smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](C[NH+](C)C)Nc1ccc2c(c1)C[NH2+]C2 ZINC001163776979 965570036 /nfs/dbraw/zinc/57/00/36/965570036.db2.gz QAKHSXZWXMWPSW-JTQLQIEISA-N 2 0 219.332 1.652 20 0 BDADRP C[C@H](C[NH+](C)C)Nc1ccccc1CC[NH3+] ZINC001163782742 965587879 /nfs/dbraw/zinc/58/78/79/965587879.db2.gz PSJPGDVHXBAOBH-LLVKDONJSA-N 2 0 221.348 1.550 20 0 BDADRP CC[C@H]1COC[C@@H]1[NH2+]CCn1ccnc1C ZINC000699528297 965940214 /nfs/dbraw/zinc/94/02/14/965940214.db2.gz XUMFEUQOCWCBQK-RYUDHWBXSA-N 2 0 223.320 1.206 20 0 BDADRP CC[NH2+]CCC[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001485750775 966632881 /nfs/dbraw/zinc/63/28/81/966632881.db2.gz ATQIFQDJSYFORA-GFCCVEGCSA-N 2 0 243.395 1.221 20 0 BDADRP CN1CCC12C[NH+](CC1(C)CC[NH+](C)CC1)C2 ZINC001276453709 966950945 /nfs/dbraw/zinc/95/09/45/966950945.db2.gz MAOMZJGFGDDGNL-UHFFFAOYSA-N 2 0 237.391 1.108 20 0 BDADRP C[NH2+]CCN(C)Cc1cc2c(s1)C[NH2+]CC2 ZINC001204727704 967139098 /nfs/dbraw/zinc/13/90/98/967139098.db2.gz KWJOSPKSZMEUQB-UHFFFAOYSA-N 2 0 239.388 1.045 20 0 BDADRP C[C@@H]1CCN(C[C@H]2CCCC[NH2+]2)C[C@@H]1C[NH3+] ZINC001205296129 967498456 /nfs/dbraw/zinc/49/84/56/967498456.db2.gz HNHGGBYTTJCYHF-FRRDWIJNSA-N 2 0 225.380 1.045 20 0 BDADRP [NH3+]C[C@@]1(O)CCCC[N@H+](CC2CCCCC2)C1 ZINC001205662443 967743716 /nfs/dbraw/zinc/74/37/16/967743716.db2.gz AXYUPZVVWMOIDU-AWEZNQCLSA-N 2 0 240.391 1.742 20 0 BDADRP C[NH+](C)CC(C)(C)CN1C[C@H]([NH3+])CC(F)(F)C1 ZINC001206117117 968068161 /nfs/dbraw/zinc/06/81/61/968068161.db2.gz JIGSXOSVLFTABA-SNVBAGLBSA-N 2 0 249.349 1.243 20 0 BDADRP COC1CC(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC001206471446 968324954 /nfs/dbraw/zinc/32/49/54/968324954.db2.gz MLBWWRBDXCAXGH-UODQLWRSSA-N 2 0 226.364 1.341 20 0 BDADRP C[C@H]1C[C@H]([N@H+](C)C2CCC([NH3+])CC2)CCO1 ZINC000085869248 968508263 /nfs/dbraw/zinc/50/82/63/968508263.db2.gz RKCVLRSEWOMHHI-YWPUVAFDSA-N 2 0 226.364 1.756 20 0 BDADRP C[NH+](C)CC(C)(C)C[N@@H+]1CCCC[C@H]1CO ZINC001207276555 968710796 /nfs/dbraw/zinc/71/07/96/968710796.db2.gz ZFQWMJHGGUNHTR-LBPRGKRZSA-N 2 0 228.380 1.421 20 0 BDADRP C[NH+](C)CC(C)(C)C[N@@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC001207282817 968718667 /nfs/dbraw/zinc/71/86/67/968718667.db2.gz PWOOGLCZPPYPPR-CHWSQXEVSA-N 2 0 240.391 1.685 20 0 BDADRP C[NH+]1CCC(C)(C[N@@H+]2CCCC[C@@H](O)C2)CC1 ZINC001208105834 969004286 /nfs/dbraw/zinc/00/42/86/969004286.db2.gz CJRYEUBBOIUGAF-CYBMUJFWSA-N 2 0 240.391 1.565 20 0 BDADRP C[NH+](C)CCN1CC[N@H+](C)CC12CCCC2 ZINC001208132234 969032245 /nfs/dbraw/zinc/03/22/45/969032245.db2.gz QVNKBZBPHDRRRD-UHFFFAOYSA-N 2 0 225.380 1.108 20 0 BDADRP CC[NH+](CC)C[C@@H](O)C[NH2+]C(C(C)C)C(C)C ZINC001253209064 969113546 /nfs/dbraw/zinc/11/35/46/969113546.db2.gz WTBYXSOTMFBTRT-ZDUSSCGKSA-N 2 0 244.423 1.959 20 0 BDADRP CC[NH+](CC)C[C@@H](O)C[NH2+]C(C)(C)CC1CC1 ZINC001253214063 969117337 /nfs/dbraw/zinc/11/73/37/969117337.db2.gz YSBRNBQZBKABAF-ZDUSSCGKSA-N 2 0 242.407 1.857 20 0 BDADRP CC[NH+]1CCC(C[NH+]2CCSCC2)CC1 ZINC001208592552 969146201 /nfs/dbraw/zinc/14/62/01/969146201.db2.gz JYTBKUUGCCLVDA-UHFFFAOYSA-N 2 0 228.405 1.767 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH+]2C[C@H]3[C@H](CF)[C@H]3C2)C1 ZINC001208616838 969170478 /nfs/dbraw/zinc/17/04/78/969170478.db2.gz MIPFXUOMMZRTTN-LPWJVIDDSA-N 2 0 226.339 1.476 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H]1CCCO1)C2 ZINC001169077929 969394888 /nfs/dbraw/zinc/39/48/88/969394888.db2.gz BXNOHEOGCSROBX-RNJOBUHISA-N 2 0 224.348 1.380 20 0 BDADRP CC[NH+]1CCC([NH2+]CCCCC[NH+](C)C)CC1 ZINC001169221781 969493921 /nfs/dbraw/zinc/49/39/21/969493921.db2.gz LSANMPOPBHYXEK-UHFFFAOYSA-N 3 0 241.423 1.792 20 0 BDADRP CN(CCC[NH+]1CCCCC1)[C@H]1CC[N@H+](C)C1 ZINC001209449087 969519739 /nfs/dbraw/zinc/51/97/39/969519739.db2.gz RMLWLVOURFQVII-AWEZNQCLSA-N 2 0 239.407 1.498 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+]C[C@H]2C[C@@](C)(O)C2)CC1 ZINC001254503317 969668479 /nfs/dbraw/zinc/66/84/79/969668479.db2.gz MCJXXHIBAQTTIJ-RWMBFGLXSA-N 2 0 226.364 1.221 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+][C@@]2(C)CCOC2)CC1 ZINC001254512195 969680167 /nfs/dbraw/zinc/68/01/67/969680167.db2.gz KGYLEINKYXRCMR-NEPJUHHUSA-N 2 0 212.337 1.239 20 0 BDADRP CCOC(=O)[C@H](C)C[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001254507481 969681412 /nfs/dbraw/zinc/68/14/12/969681412.db2.gz BZYUPYXCRIVGBS-NEPJUHHUSA-N 2 0 242.363 1.260 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH+]2CC[C@@H](F)[C@@H](O)CC2)CC1 ZINC001254515696 969689732 /nfs/dbraw/zinc/68/97/32/969689732.db2.gz AZOZPRRXHWTLDN-XQQFMLRXSA-N 2 0 244.354 1.266 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH+]2C[C@@H]3COC[C@@H]3C2)CC1 ZINC001254518112 969695026 /nfs/dbraw/zinc/69/50/26/969695026.db2.gz ATHJEMQQSJCTMP-XQQFMLRXSA-N 2 0 224.348 1.049 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH+]2CCCC[C@@H](O)C2)CC1 ZINC001254517288 969699837 /nfs/dbraw/zinc/69/98/37/969699837.db2.gz UATRGTGFXYZSNS-CHWSQXEVSA-N 2 0 226.364 1.318 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)CN1[C@@H]1CCC[NH+](C)CC1 ZINC001254520571 969701631 /nfs/dbraw/zinc/70/16/31/969701631.db2.gz OGUCMWVPOMKTOC-BFHYXJOUSA-N 2 0 239.407 1.495 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH+]2CC[C@H]3OCC[C@H]32)CC1 ZINC001254519702 969702413 /nfs/dbraw/zinc/70/24/13/969702413.db2.gz KBWMCTUUHYLTEJ-YNEHKIRRSA-N 2 0 224.348 1.334 20 0 BDADRP CN(CC[NH3+])CC[NH2+]C1CCC(C)(C)CC1 ZINC001255301856 970067670 /nfs/dbraw/zinc/06/76/70/970067670.db2.gz QWMORBJGUZZWEE-UHFFFAOYSA-N 2 0 227.396 1.435 20 0 BDADRP C[N@@H+]1CCC[C@H](Nc2cccnc2C[NH3+])C1 ZINC001255475329 970205997 /nfs/dbraw/zinc/20/59/97/970205997.db2.gz OLZUGERPWYUFAU-JTQLQIEISA-N 2 0 220.320 1.046 20 0 BDADRP C[N@@H+]1CCC[C@@H](n2cccc2CC[NH3+])C1 ZINC001255473722 970206038 /nfs/dbraw/zinc/20/60/38/970206038.db2.gz XEOIQQQXABFNQL-GFCCVEGCSA-N 2 0 207.321 1.256 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+][C@H]1CC[C@H](O)C1 ZINC001255941389 970570089 /nfs/dbraw/zinc/57/00/89/970570089.db2.gz PQFKIOHOKXQDBH-AVGNSLFASA-N 2 0 228.380 1.610 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]CC1(C)COC1 ZINC001255939339 970570193 /nfs/dbraw/zinc/57/01/93/970570193.db2.gz BVLXDNPTYUMHSG-LBPRGKRZSA-N 2 0 228.380 1.733 20 0 BDADRP CC[C@@H]1C[C@@H]([NH+]2CCC([NH+](C)C)CC2)CCO1 ZINC001170205132 970574865 /nfs/dbraw/zinc/57/48/65/970574865.db2.gz VHHHIHFNWLKTIL-UONOGXRCSA-N 2 0 240.391 1.970 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]C[C@@H]1CCO1 ZINC001255942024 970576099 /nfs/dbraw/zinc/57/60/99/970576099.db2.gz BEGFRWNIPORJQU-NEPJUHHUSA-N 2 0 214.353 1.485 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N[C@H](C)C[NH+](C)C ZINC001255943415 970579528 /nfs/dbraw/zinc/57/95/28/970579528.db2.gz MIHQVUAJECTXBN-CHWSQXEVSA-N 2 0 229.412 1.647 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)n1cc(C[NH3+])cn1 ZINC001255946765 970579886 /nfs/dbraw/zinc/57/98/86/970579886.db2.gz ZFIUJYCUUFGMJN-LLVKDONJSA-N 2 0 224.352 1.635 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)NC1(C[NH3+])CC1 ZINC001255950800 970581837 /nfs/dbraw/zinc/58/18/37/970581837.db2.gz CKYIAPUUBGZBLF-LLVKDONJSA-N 2 0 213.369 1.188 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]CCOCCOC ZINC001255947176 970582577 /nfs/dbraw/zinc/58/25/77/970582577.db2.gz PAPLBUQICMDYFZ-CYBMUJFWSA-N 2 0 246.395 1.359 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]C[C@@H](O)C1CC1 ZINC001255949993 970584700 /nfs/dbraw/zinc/58/47/00/970584700.db2.gz DOQAPAAOPPONEM-DGCLKSJQSA-N 2 0 228.380 1.467 20 0 BDADRP CC[NH+](CC)CC[C@H](C)n1c(C)nnc1C[NH3+] ZINC001255954485 970587859 /nfs/dbraw/zinc/58/78/59/970587859.db2.gz FLOUQZFUAMHOTH-JTQLQIEISA-N 2 0 239.367 1.338 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[N@@H+]1C[C@@H](C)C[C@H]1CO ZINC001255956480 970597276 /nfs/dbraw/zinc/59/72/76/970597276.db2.gz KHZRIUNIVUFSQQ-MJBXVCDLSA-N 2 0 242.407 1.810 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[N@H+](C)[C@H]1CCOC1 ZINC001255964419 970602753 /nfs/dbraw/zinc/60/27/53/970602753.db2.gz SAZXTUJMYBUWLG-STQMWFEESA-N 2 0 228.380 1.828 20 0 BDADRP C[C@@H]([NH2+]C1CCOCC1)C1CC[NH2+]CC1 ZINC000400743649 970624149 /nfs/dbraw/zinc/62/41/49/970624149.db2.gz UCBFTNIQNRJWRF-SNVBAGLBSA-N 2 0 212.337 1.143 20 0 BDADRP OCCCCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400974592 970652501 /nfs/dbraw/zinc/65/25/01/970652501.db2.gz RDXYYLCFUFLQTL-MGPQQGTHSA-N 2 0 240.391 1.517 20 0 BDADRP C(=C\C1CC1)\C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401011625 970653401 /nfs/dbraw/zinc/65/34/01/970653401.db2.gz HERSOQGWZNKUFG-OLTAKHJNSA-N 2 0 220.360 1.930 20 0 BDADRP CN1CCC([N@@H+]2CCC[C@@H](CF)C2)CC1 ZINC001256207571 970712891 /nfs/dbraw/zinc/71/28/91/970712891.db2.gz NNMAPNYFRNTIIO-NSHDSACASA-N 2 0 214.328 1.762 20 0 BDADRP CC[N@H+](CCn1ccnc1)C1CCN(C)CC1 ZINC001256211525 970721638 /nfs/dbraw/zinc/72/16/38/970721638.db2.gz YZQHOUKSXZPWIY-UHFFFAOYSA-N 2 0 236.363 1.299 20 0 BDADRP CCCOC1CCC([NH2+]C[C@@H](C)C[NH3+])CC1 ZINC001173093761 975018000 /nfs/dbraw/zinc/01/80/00/975018000.db2.gz AZNBMGRMNYZHJO-HIFPTAJRSA-N 2 0 228.380 1.909 20 0 BDADRP Cc1[nH+]c(C)n(C[C@@H](O)C[N@@H+](C)C2CC2)c1C ZINC001334102262 976302020 /nfs/dbraw/zinc/30/20/20/976302020.db2.gz USCYJUHGTWPBGD-ZDUSSCGKSA-N 2 0 237.347 1.263 20 0 BDADRP CC(C)OCC[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001277657381 978047214 /nfs/dbraw/zinc/04/72/14/978047214.db2.gz IPBARUMKODQKIK-UHFFFAOYSA-N 2 0 226.364 1.439 20 0 BDADRP CC1=C[C@@H](C)[C@@H](CN(CC[NH3+])CC[NH3+])CC1 ZINC001235877995 979176219 /nfs/dbraw/zinc/17/62/19/979176219.db2.gz YIWQZTANZGCCRK-CHWSQXEVSA-N 2 0 225.380 1.198 20 0 BDADRP C[NH+]1CCC(C)(CN2C[C@@H]3CC[C@]3([NH3+])C2)CC1 ZINC001235980962 979255723 /nfs/dbraw/zinc/25/57/23/979255723.db2.gz SQOCATRWCNZMMI-JSGCOSHPSA-N 2 0 237.391 1.141 20 0 BDADRP Cc1nnc(C2CC[NH+](CCCC[NH3+])CC2)o1 ZINC001236079442 979364271 /nfs/dbraw/zinc/36/42/71/979364271.db2.gz SDVOVCMJSIOYRN-UHFFFAOYSA-N 2 0 238.335 1.296 20 0 BDADRP CC(C)CN(C[C@@H](C)[NH3+])[C@@H]1CCC[NH2+]C1 ZINC001236475794 979604838 /nfs/dbraw/zinc/60/48/38/979604838.db2.gz YTJRBBABXSQRCI-VXGBXAGGSA-N 2 0 213.369 1.044 20 0 BDADRP C[C@@]1(C[NH3+])CCCC[N@H+](C[C@@H]2CCCO2)C1 ZINC001206542139 979647893 /nfs/dbraw/zinc/64/78/93/979647893.db2.gz SETURLQEQVSHPP-STQMWFEESA-N 2 0 226.364 1.616 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)NCCC[NH2+]C1CC1 ZINC001342123874 979669185 /nfs/dbraw/zinc/66/91/85/979669185.db2.gz ILIGFBXGRGBLPE-NSHDSACASA-N 2 0 241.379 1.008 20 0 BDADRP OCCCCC[N@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236632889 979683919 /nfs/dbraw/zinc/68/39/19/979683919.db2.gz CFYPBQMUVNTGAM-UHFFFAOYSA-N 2 0 240.391 1.756 20 0 BDADRP C[C@@H]([NH3+])CN(C1CCCC1)C1CC[NH+](C)CC1 ZINC001236950746 979795917 /nfs/dbraw/zinc/79/59/17/979795917.db2.gz QBXUDBAKVIXCSA-GFCCVEGCSA-N 2 0 239.407 1.672 20 0 BDADRP CC(C)([NH3+])c1ccc(NC(=O)CCC[NH3+])cc1 ZINC001343144216 980019975 /nfs/dbraw/zinc/01/99/75/980019975.db2.gz WSVMJYNQXNHOLP-UHFFFAOYSA-N 2 0 235.331 1.558 20 0 BDADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCCC(C)(C)[NH3+] ZINC001331394368 974705742 /nfs/dbraw/zinc/70/57/42/974705742.db2.gz VBJKPKHOYNHUSG-JTQLQIEISA-N 2 0 243.395 1.254 20 0 BDADRP CCOCC[C@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001172434420 974721258 /nfs/dbraw/zinc/72/12/58/974721258.db2.gz WGTRSKQNEWMXMP-UONOGXRCSA-N 2 0 240.391 1.829 20 0 BDADRP CC(C)OCC[C@H](C)[NH2+]CCC[N@H+](C)CCO ZINC001172444141 974805719 /nfs/dbraw/zinc/80/57/19/974805719.db2.gz IZSHLEXUWHZMKO-ZDUSSCGKSA-N 2 0 246.395 1.094 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@](F)(C[NH3+])CC2)CCO1 ZINC001246545319 972630333 /nfs/dbraw/zinc/63/03/33/972630333.db2.gz BFXKEIXTBAJZEP-UPJWGTAASA-N 2 0 244.354 1.707 20 0 BDADRP COC[C@H](C)[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246545567 972633497 /nfs/dbraw/zinc/63/34/97/972633497.db2.gz BVEDIIXGIDYQHZ-QWRGUYRKSA-N 2 0 218.316 1.174 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](O)[C@H](C)C2)CC[NH2+]1 ZINC001246571271 972850981 /nfs/dbraw/zinc/85/09/81/972850981.db2.gz ASHPNBXEESDEFI-NDBYEHHHSA-N 2 0 226.364 1.220 20 0 BDADRP C[C@]1(C[NH3+])CCCCN(C2CC[NH2+]CC2)C1 ZINC001246579658 972910818 /nfs/dbraw/zinc/91/08/18/972910818.db2.gz GDEHKFIQRNXVPV-CYBMUJFWSA-N 2 0 225.380 1.189 20 0 BDADRP CCCC[C@@H](CC)[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246641555 973062966 /nfs/dbraw/zinc/06/29/66/973062966.db2.gz JBAFKBNWPNZEED-KGLIPLIRSA-N 2 0 239.407 1.593 20 0 BDADRP CCC[C@H]1CN([C@@H]2CC[NH2+][C@H](CC)C2)CC[NH2+]1 ZINC001246896930 973345795 /nfs/dbraw/zinc/34/57/95/973345795.db2.gz BVZJNTMNMNACJI-HZSPNIEDSA-N 2 0 239.407 1.591 20 0 BDADRP CC[C@@H]1C[C@@H](N(C)[C@@]2(C)CCC[NH2+]C2)CC[NH2+]1 ZINC001246916866 973469816 /nfs/dbraw/zinc/46/98/16/973469816.db2.gz YCKUTOGFXFJCNR-RDBSUJKOSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@H]([NH3+])CN(C)[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001246980453 973722989 /nfs/dbraw/zinc/72/29/89/973722989.db2.gz IURSQQVKFRROBJ-GXTWGEPZSA-N 2 0 239.407 1.672 20 0 BDADRP CC(C)(C)[NH+]1CCC(n2ccnc2C[NH3+])CC1 ZINC001256554690 970860728 /nfs/dbraw/zinc/86/07/28/970860728.db2.gz MDFQPFZBLUJVTO-UHFFFAOYSA-N 2 0 236.363 1.777 20 0 BDADRP C[NH+](C)C1CN(C2CC[NH+](C(C)(C)C)CC2)C1 ZINC001256569123 970868647 /nfs/dbraw/zinc/86/86/47/970868647.db2.gz RTHOFJQIRIKXJD-UHFFFAOYSA-N 2 0 239.407 1.495 20 0 BDADRP C[NH2+][C@@]12CC[C@@](NCc3cnccn3)(C1)CCC2 ZINC001276731998 970876292 /nfs/dbraw/zinc/87/62/92/970876292.db2.gz JXGWNYVWCLDLJV-UONOGXRCSA-N 2 0 246.358 1.631 20 0 BDADRP [NH3+]C[C@@H]1C[N@H+](CC2CCOCC2)CCC1(F)F ZINC000403217077 970897749 /nfs/dbraw/zinc/89/77/49/970897749.db2.gz GWUWZQMOOXQEKH-LLVKDONJSA-N 2 0 248.317 1.329 20 0 BDADRP CC(C)C[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256675674 970911690 /nfs/dbraw/zinc/91/16/90/970911690.db2.gz HUXFTBZJQINDHK-UHFFFAOYSA-N 2 0 240.391 1.875 20 0 BDADRP C[NH2+]Cc1cccc(-n2c[nH+]c(C)c2N)c1F ZINC001216222009 970990166 /nfs/dbraw/zinc/99/01/66/970990166.db2.gz QIKVWCPCFVJUDJ-UHFFFAOYSA-N 2 0 234.278 1.621 20 0 BDADRP [NH3+]C1CC([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001256853820 970995790 /nfs/dbraw/zinc/99/57/90/970995790.db2.gz UXXFTVIYVAQDNB-UHFFFAOYSA-N 3 0 246.358 1.130 20 0 BDADRP CC(C)(C[NH3+])N[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256898564 971013547 /nfs/dbraw/zinc/01/35/47/971013547.db2.gz NGCZZZUCRJALAX-GFCCVEGCSA-N 2 0 239.407 1.720 20 0 BDADRP [NH3+]CC1(N[C@@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256908378 971023584 /nfs/dbraw/zinc/02/35/84/971023584.db2.gz KJBCDSFHWUWVRX-GFCCVEGCSA-N 2 0 237.391 1.474 20 0 BDADRP C[C@@H](C[NH3+])CN[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256910401 971021503 /nfs/dbraw/zinc/02/15/03/971021503.db2.gz ZFQDKGGBFGRYCZ-STQMWFEESA-N 2 0 239.407 1.578 20 0 BDADRP CNc1cc(Nc2cc[nH+]c(CO)c2)cc[nH+]1 ZINC001216334509 971050009 /nfs/dbraw/zinc/05/00/09/971050009.db2.gz XTGCXMVYVPNTJU-UHFFFAOYSA-N 2 0 230.271 1.754 20 0 BDADRP C[C@H](C(=O)Nc1ccccc1C[NH3+])[NH+](C)C ZINC000022176344 971080169 /nfs/dbraw/zinc/08/01/69/971080169.db2.gz USKBIIRIOUTGOS-SECBINFHSA-N 2 0 221.304 1.034 20 0 BDADRP CC(C)[NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001130874712 971080443 /nfs/dbraw/zinc/08/04/43/971080443.db2.gz KUVRDJXRXYSBQO-UHFFFAOYSA-N 2 0 246.314 1.062 20 0 BDADRP C[C@H](C[NH+](C)C)OCCC[NH+]1CCCC1 ZINC001224744992 973906157 /nfs/dbraw/zinc/90/61/57/973906157.db2.gz SWTBOOQFNQSFBB-GFCCVEGCSA-N 2 0 214.353 1.439 20 0 BDADRP CC(C)[NH+]1CCC(NC(=[NH2+])SCC[NH3+])CC1 ZINC001257205806 971122820 /nfs/dbraw/zinc/12/28/20/971122820.db2.gz QVAFMBBSXVRJBY-UHFFFAOYSA-N 3 0 244.408 1.075 20 0 BDADRP Cc1nnc(C[NH3+])n1C1CC[NH+](C(C)C)CC1 ZINC001257214041 971126370 /nfs/dbraw/zinc/12/63/70/971126370.db2.gz ZREYUNXFRMVAOK-UHFFFAOYSA-N 2 0 237.351 1.091 20 0 BDADRP CCC[C@H](CC)[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001257256774 971153400 /nfs/dbraw/zinc/15/34/00/971153400.db2.gz KPCVABJZRHYVMW-AWEZNQCLSA-N 2 0 241.423 1.744 20 0 BDADRP Cc1cccnc1N[C@H](C)[C@H]1C[NH2+]CCO1 ZINC001170558863 971172833 /nfs/dbraw/zinc/17/28/33/971172833.db2.gz SCCZXFQYSGETII-GHMZBOCLSA-N 2 0 221.304 1.179 20 0 BDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCSC(F)(F)F ZINC000404758073 971180660 /nfs/dbraw/zinc/18/06/60/971180660.db2.gz GRLRNTDNPPHWHF-BQBZGAKWSA-N 2 0 242.310 1.955 20 0 BDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCCCCCO ZINC000404908994 971186166 /nfs/dbraw/zinc/18/61/66/971186166.db2.gz SZIPEEZEDRKVAY-QWRGUYRKSA-N 2 0 214.353 1.255 20 0 BDADRP CCC[C@H](C)N(CCC[NH3+])CCC[NH+](C)C ZINC001257309238 971201588 /nfs/dbraw/zinc/20/15/88/971201588.db2.gz PONPMOCFBQOFQC-ZDUSSCGKSA-N 2 0 229.412 1.778 20 0 BDADRP C[C@@H](Nc1c[nH+]cc2cc[nH]c21)[C@H]1C[NH2+]CCO1 ZINC001170568977 971203973 /nfs/dbraw/zinc/20/39/73/971203973.db2.gz QHPLMEZQTGIUIG-BXKDBHETSA-N 2 0 246.314 1.352 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]CCC2(CO)CC2)C12CCC2 ZINC000405220168 971207313 /nfs/dbraw/zinc/20/73/13/971207313.db2.gz ADHADHPKJMRVEZ-WDEREUQCSA-N 2 0 224.348 1.009 20 0 BDADRP [NH3+][C@@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C12CCC2 ZINC000405222618 971213340 /nfs/dbraw/zinc/21/33/40/971213340.db2.gz NFOLSOXBKAOUMV-SYQHCUMBSA-N 2 0 249.402 1.473 20 0 BDADRP CC(C)N1CC(OC[C@@H]2CCC[N@@H+]2C)C1 ZINC001224821130 974006928 /nfs/dbraw/zinc/00/69/28/974006928.db2.gz ZLRYSVNMESOGKK-NSHDSACASA-N 2 0 212.337 1.190 20 0 BDADRP COCCC1(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000405241090 971217642 /nfs/dbraw/zinc/21/76/42/971217642.db2.gz WCBIUYQMBABUGY-VXGBXAGGSA-N 2 0 238.375 1.663 20 0 BDADRP CN(C)c1cc[nH+]c(N2CC[N@@H+]3CC[C@H]3C2)c1 ZINC001158423998 971226585 /nfs/dbraw/zinc/22/65/85/971226585.db2.gz QYACCBFTYYDWHU-LBPRGKRZSA-N 2 0 232.331 1.042 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2ccncc2)C12CCC2 ZINC000405271673 971224771 /nfs/dbraw/zinc/22/47/71/971224771.db2.gz VBLDIHUDWPKWBG-STQMWFEESA-N 2 0 231.343 1.484 20 0 BDADRP C[C@@H]1SCC[C@@H]1[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405310584 971229825 /nfs/dbraw/zinc/22/98/25/971229825.db2.gz OOWLPOCRPBWCPL-NAKRPEOUSA-N 2 0 226.389 1.740 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]CCCn2ccnc2)C12CCC2 ZINC000405303895 971230537 /nfs/dbraw/zinc/23/05/37/971230537.db2.gz JWTLNODCBBBKJC-RYUDHWBXSA-N 2 0 234.347 1.133 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2CCSC2)C12CCC2 ZINC000405315344 971230726 /nfs/dbraw/zinc/23/07/26/971230726.db2.gz RCMKMGOAUHAPBM-MXWKQRLJSA-N 2 0 226.389 1.599 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCCOC(F)(F)F ZINC000405306843 971231245 /nfs/dbraw/zinc/23/12/45/971231245.db2.gz XYZPYNHUBVSEKY-SFYZADRCSA-N 2 0 240.269 1.628 20 0 BDADRP CSCCCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405313913 971233485 /nfs/dbraw/zinc/23/34/85/971233485.db2.gz QGABHXONEULTPD-WDEREUQCSA-N 2 0 228.405 1.989 20 0 BDADRP CC(C)COCCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405338746 971234790 /nfs/dbraw/zinc/23/47/90/971234790.db2.gz GTDDUMVYTVHUPT-QWHCGFSZSA-N 2 0 240.391 1.909 20 0 BDADRP CC(C)COCCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405338745 971235957 /nfs/dbraw/zinc/23/59/57/971235957.db2.gz GTDDUMVYTVHUPT-OLZOCXBDSA-N 2 0 240.391 1.909 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]CC2(O)CCCCC2)C12CCC2 ZINC000405336928 971236243 /nfs/dbraw/zinc/23/62/43/971236243.db2.gz FVJKFQDUYRYZDC-NWDGAFQWSA-N 2 0 238.375 1.541 20 0 BDADRP CC(C)OCCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405375820 971240773 /nfs/dbraw/zinc/24/07/73/971240773.db2.gz BFNNMDWQBNRHED-RYUDHWBXSA-N 2 0 226.364 1.661 20 0 BDADRP CCOC[C@H]([NH2+][C@H]1C[C@H]([NH3+])C12CCC2)C(C)C ZINC000405357088 971242556 /nfs/dbraw/zinc/24/25/56/971242556.db2.gz RRKPEUPFJWNKGY-AVGNSLFASA-N 2 0 240.391 1.907 20 0 BDADRP COCC1(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CCC1 ZINC000405359512 971243208 /nfs/dbraw/zinc/24/32/08/971243208.db2.gz SVGIBDMSEGFXJX-NEPJUHHUSA-N 2 0 238.375 1.663 20 0 BDADRP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C12CCC2)C1CCOCC1 ZINC000405357037 971243256 /nfs/dbraw/zinc/24/32/56/971243256.db2.gz RQEVYHSQFUFJKK-DRZSPHRISA-N 2 0 238.375 1.661 20 0 BDADRP CC[NH+](CC)CCCN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405355396 971244473 /nfs/dbraw/zinc/24/44/73/971244473.db2.gz QPHWKFXOQDPOAD-OLZOCXBDSA-N 2 0 239.407 1.578 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]CC2CC(F)(F)C2)C12CCC2 ZINC000405395274 971249135 /nfs/dbraw/zinc/24/91/35/971249135.db2.gz ICIPWUUYMQSTPJ-VHSXEESVSA-N 2 0 230.302 1.891 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405377423 971249872 /nfs/dbraw/zinc/24/98/72/971249872.db2.gz BTVBHCQKDSDYBP-RYUDHWBXSA-N 3 0 225.380 1.188 20 0 BDADRP CCCCCC[C@H](CC)[NH2+]C[C@H](O)C[NH3+] ZINC001170581607 971252378 /nfs/dbraw/zinc/25/23/78/971252378.db2.gz OONOUBVACZHFDL-NWDGAFQWSA-N 2 0 216.369 1.645 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]CCOCC2CC2)C12CCC2 ZINC000405432335 971252530 /nfs/dbraw/zinc/25/25/30/971252530.db2.gz SOYUJDONZMIRQW-RYUDHWBXSA-N 2 0 224.348 1.273 20 0 BDADRP CC(F)(F)CC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405414232 971255619 /nfs/dbraw/zinc/25/56/19/971255619.db2.gz NXVXOWRJBYNKOP-BDAKNGLRSA-N 2 0 218.291 1.891 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]C2CCOCC2)C12CCC2 ZINC000405459191 971259496 /nfs/dbraw/zinc/25/94/96/971259496.db2.gz IJKQPNSFZJWSIU-QWRGUYRKSA-N 2 0 210.321 1.025 20 0 BDADRP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405454901 971261445 /nfs/dbraw/zinc/26/14/45/971261445.db2.gz YMJKPKRIMJLVJM-VPOLOUISSA-N 2 0 224.348 1.005 20 0 BDADRP C[C@H]1[C@H](C)OC[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000405699338 971292918 /nfs/dbraw/zinc/29/29/18/971292918.db2.gz YURVJIYWXLYTNM-GMXVVIOVSA-N 2 0 226.364 1.341 20 0 BDADRP CCCCOC(=O)CC[C@@H](C)[NH2+]C1CC([NH3+])C1 ZINC001257385403 971295255 /nfs/dbraw/zinc/29/52/55/971295255.db2.gz HMJADCCPTTVRTN-VOMCLLRMSA-N 2 0 242.363 1.578 20 0 BDADRP COc1c(C)cnc(CN2CC[C@](C)([NH3+])C2)c1C ZINC000405793893 971306560 /nfs/dbraw/zinc/30/65/60/971306560.db2.gz RRNCYIUPTVPKID-AWEZNQCLSA-N 2 0 249.358 1.630 20 0 BDADRP [NH3+]Cc1ccccc1CO[C@H]1CCCC[NH2+]C1 ZINC001217769364 971393014 /nfs/dbraw/zinc/39/30/14/971393014.db2.gz CRCWGXRHPYPISM-AWEZNQCLSA-N 2 0 234.343 1.804 20 0 BDADRP C[NH2+][C@H]1C[C@@H](OCC2(C)CC[NH2+]CC2)C1 ZINC001217767538 971392771 /nfs/dbraw/zinc/39/27/71/971392771.db2.gz YFRQDCMZTGCGQP-PHIMTYICSA-N 2 0 212.337 1.143 20 0 BDADRP C(CO[C@@H]1CCCC[NH2+]C1)C[C@H]1CCC[NH2+]C1 ZINC001217774073 971397862 /nfs/dbraw/zinc/39/78/62/971397862.db2.gz SYGPWRMENCQRKV-ZIAGYGMSSA-N 2 0 240.391 1.925 20 0 BDADRP C[C@@H]1C[C@@H](OCCC[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001217790447 971407742 /nfs/dbraw/zinc/40/77/42/971407742.db2.gz KJDCZXSOGZKAFS-MCIONIFRSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1OCCCCCCC[NH3+] ZINC001217790329 971408598 /nfs/dbraw/zinc/40/85/98/971408598.db2.gz ZVGSIBXAECXEKT-CHWSQXEVSA-N 2 0 228.380 1.910 20 0 BDADRP CC(C)(C[NH3+])CO[C@@H]1CCC[C@]12CC[NH2+]C2 ZINC001217799121 971409578 /nfs/dbraw/zinc/40/95/78/971409578.db2.gz CZMPWAFLHIHCGX-DGCLKSJQSA-N 2 0 226.364 1.520 20 0 BDADRP C(CO[C@H]1[C@@H]2C[C@H]1C[NH2+]C2)C[C@@H]1CCC[NH2+]C1 ZINC001217814886 971416575 /nfs/dbraw/zinc/41/65/75/971416575.db2.gz YBPBUYMDUAONAP-IGQOVBAYSA-N 2 0 238.375 1.391 20 0 BDADRP C(O[C@@H]1C[C@H]2CC[NH2+][C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC001217848258 971439888 /nfs/dbraw/zinc/43/98/88/971439888.db2.gz HHNHUOMQIPHICT-LPWJVIDDSA-N 2 0 224.348 1.143 20 0 BDADRP C(CO[C@H]1CCC12C[NH2+]C2)C[C@H]1CCC[NH2+]C1 ZINC001217850063 971445804 /nfs/dbraw/zinc/44/58/04/971445804.db2.gz QMDCHCVGPIYFRR-OLZOCXBDSA-N 2 0 238.375 1.535 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+][C@H]1CCCSC1 ZINC001257668752 971470576 /nfs/dbraw/zinc/47/05/76/971470576.db2.gz UXJSWDFBCJHCGZ-LPEHRKFASA-N 2 0 200.351 1.351 20 0 BDADRP [NH3+]CCCCCCCO[C@H]1C[NH2+]CC[C@H]1F ZINC001217875964 971470639 /nfs/dbraw/zinc/47/06/39/971470639.db2.gz IIQRYYJBUDYFNG-NEPJUHHUSA-N 2 0 232.343 1.612 20 0 BDADRP F[C@@H]1CC[NH2+]C[C@@H]1OCCC[C@@H]1CCC[NH2+]C1 ZINC001217876255 971471670 /nfs/dbraw/zinc/47/16/70/971471670.db2.gz LKLMPSNRDFICIF-XQQFMLRXSA-N 2 0 244.354 1.483 20 0 BDADRP CCC(CC)C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133287609 971488076 /nfs/dbraw/zinc/48/80/76/971488076.db2.gz JUUWFENDXJNOLJ-UHFFFAOYSA-N 2 0 243.395 1.080 20 0 BDADRP C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H](OCCC[NH3+])C1 ZINC001217908588 971508730 /nfs/dbraw/zinc/50/87/30/971508730.db2.gz JWSBSJMJYJQGOE-QWHCGFSZSA-N 2 0 249.358 1.582 20 0 BDADRP C[C@@H]1CC[C@@H](OC[C@@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001217909655 971510403 /nfs/dbraw/zinc/51/04/03/971510403.db2.gz GUXAXMXKIGPVPI-IJLUTSLNSA-N 2 0 212.337 1.143 20 0 BDADRP CC(C)C[NH+]1CCC(NC[C@@H](C)C[NH3+])CC1 ZINC001258004052 971554799 /nfs/dbraw/zinc/55/47/99/971554799.db2.gz AEQNKUWRNUZDJH-LBPRGKRZSA-N 2 0 227.396 1.291 20 0 BDADRP [NH3+]Cc1ccccc1O[C@H]1C[NH2+]CC[C@@H]1F ZINC001217958803 971548774 /nfs/dbraw/zinc/54/87/74/971548774.db2.gz IFCCJJVXFKWYPW-JQWIXIFHSA-N 2 0 224.279 1.224 20 0 BDADRP CC(C)C[NH+]1CCC(NC(C)(C)C[NH3+])CC1 ZINC001258002650 971555659 /nfs/dbraw/zinc/55/56/59/971555659.db2.gz WZEIKWGWZVGNHV-UHFFFAOYSA-N 2 0 227.396 1.434 20 0 BDADRP C[C@@H]1C[NH2+]CCC[C@H]1Oc1ccc(CC[NH3+])cc1 ZINC001217989054 971560700 /nfs/dbraw/zinc/56/07/00/971560700.db2.gz RRXDXSKWWWRXSA-IUODEOHRSA-N 2 0 248.370 1.955 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1Oc1ccc(CC[NH3+])cc1 ZINC001218044851 971586171 /nfs/dbraw/zinc/58/61/71/971586171.db2.gz VTHNFSQFNRVYQY-BXUZGUMPSA-N 2 0 234.343 1.565 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1Oc1ccc2c(n1)CC[NH2+]C2 ZINC001218043984 971586663 /nfs/dbraw/zinc/58/66/63/971586663.db2.gz QEIPTMRHICHBST-ZWNOBZJWSA-N 2 0 247.342 1.104 20 0 BDADRP CC(C)[C@H]1C[C@H]([NH+]2CCC(C[NH3+])CC2)CC[NH2+]1 ZINC001246539609 972536225 /nfs/dbraw/zinc/53/62/25/972536225.db2.gz SBIZGIRWRNRKDB-ZIAGYGMSSA-N 3 0 239.407 1.434 20 0 BDADRP [NH3+]CCCC[NH+]1CCC2(C[C@H]2CCO)CC1 ZINC001222521430 972536261 /nfs/dbraw/zinc/53/62/61/972536261.db2.gz RQJWMIRWGFJQLF-GFCCVEGCSA-N 2 0 226.364 1.210 20 0 BDADRP c1cc(O[C@H]2[C@@H]3C[C@H]2C[NH2+]C3)cc2c1C[NH2+]C2 ZINC001218147164 971607240 /nfs/dbraw/zinc/60/72/40/971607240.db2.gz JUZHOUBTAUWAHT-IMRBUKKESA-N 2 0 230.311 1.277 20 0 BDADRP [NH3+]Cc1cccc(O[C@H]2C[C@H]3C[C@@H]2C[NH2+]3)c1 ZINC001218143612 971607833 /nfs/dbraw/zinc/60/78/33/971607833.db2.gz SRVBEZDRYBIMTQ-WZRBSPASSA-N 2 0 218.300 1.275 20 0 BDADRP c1cc2c(c(O[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)c1)C[NH2+]C2 ZINC001218185405 971620478 /nfs/dbraw/zinc/62/04/78/971620478.db2.gz BGHOJMRVIZVOJI-ITGUQSILSA-N 2 0 244.338 1.952 20 0 BDADRP c1cc2c(cc1O[C@@H]1CCC13C[NH2+]C3)CC[NH2+]C2 ZINC001218241824 971645406 /nfs/dbraw/zinc/64/54/06/971645406.db2.gz VKJNNVLNNQHGSC-CQSZACIVSA-N 2 0 244.338 1.463 20 0 BDADRP Cc1ccc(CN2CC[C@H]([NH3+])[C@@H](F)CC2)o1 ZINC001206156767 974332173 /nfs/dbraw/zinc/33/21/73/974332173.db2.gz SPQTWDVJSCKKJV-RYUDHWBXSA-N 2 0 226.295 1.849 20 0 BDADRP c1cc2c(c(O[C@@H]3C[C@H]4C[NH2+]C[C@@H]43)c1)CC[NH2+]C2 ZINC001218328845 971709596 /nfs/dbraw/zinc/70/95/96/971709596.db2.gz YKMVHPUCDHLKHQ-CORIIIEPSA-N 2 0 244.338 1.319 20 0 BDADRP [NH3+]Cc1cccc(O[C@H]2C[NH2+]CC[C@H]2F)c1 ZINC001218323225 971710373 /nfs/dbraw/zinc/71/03/73/971710373.db2.gz ZSQPIAMYBVTOSP-NEPJUHHUSA-N 2 0 224.279 1.224 20 0 BDADRP C[C@@H]1[NH2+]C[C@H]1Oc1ccc2c(c1)C[NH2+]C2 ZINC001218382702 971761623 /nfs/dbraw/zinc/76/16/23/971761623.db2.gz DJKZDZXISOXEIP-QPUJVOFHSA-N 2 0 204.273 1.029 20 0 BDADRP C[C@H]1CC[C@@H](Oc2ccc(CC[NH3+])cc2)C[NH2+]1 ZINC001218394377 971772641 /nfs/dbraw/zinc/77/26/41/971772641.db2.gz QWLSPQOYYLDMOD-SMDDNHRTSA-N 2 0 234.343 1.707 20 0 BDADRP C[C@@H]1CC[C@H](Oc2ccc(CC[NH3+])cc2)C[NH2+]1 ZINC001218394375 971773562 /nfs/dbraw/zinc/77/35/62/971773562.db2.gz QWLSPQOYYLDMOD-RISCZKNCSA-N 2 0 234.343 1.707 20 0 BDADRP C[NH+](C)CCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)O2 ZINC001172223246 974455492 /nfs/dbraw/zinc/45/54/92/974455492.db2.gz BEVQPIPVEKDESS-YHWZYXNKSA-N 2 0 226.364 1.580 20 0 BDADRP [NH3+]Cc1cccc(O[C@@H]2CC[C@H]3C[NH2+]C[C@H]32)c1 ZINC001218467995 971826440 /nfs/dbraw/zinc/82/64/40/971826440.db2.gz QPPYMKKUKGZSAU-IACUBPJLSA-N 2 0 232.327 1.522 20 0 BDADRP CN1CCC[C@@H]2C[N@@H+]([C@@H]3CCCOCC3)C[C@@H]21 ZINC001170832575 971942873 /nfs/dbraw/zinc/94/28/73/971942873.db2.gz BFVQGSRYXSMNRK-MCIONIFRSA-N 2 0 238.375 1.582 20 0 BDADRP C[N@H+]1C[C@@H]2C[NH+]([C@H]3CCCOCC3)C[C@@H]2C1 ZINC001170832159 971941499 /nfs/dbraw/zinc/94/14/99/971941499.db2.gz WGEIVAYLXAREKH-XQQFMLRXSA-N 2 0 224.348 1.049 20 0 BDADRP CC(C)(C[NH3+])c1ccc(NC(=O)[C@@H]2CC[NH2+]2)cc1 ZINC001218898536 971959970 /nfs/dbraw/zinc/95/99/70/971959970.db2.gz OAVPUVHRZOBAQP-LBPRGKRZSA-N 2 0 247.342 1.223 20 0 BDADRP [NH3+]C1(C(=O)Nc2ccc(C3([NH3+])CCC3)cc2)CC1 ZINC001218972304 971970349 /nfs/dbraw/zinc/97/03/49/971970349.db2.gz KPUBYQXAUOCUHV-UHFFFAOYSA-N 2 0 245.326 1.454 20 0 BDADRP C[C@@]1(CC(=O)Nc2ccc(C[NH3+])cc2)CC[NH2+]C1 ZINC001219345431 972003339 /nfs/dbraw/zinc/00/33/39/972003339.db2.gz NSFDKQUWYSVOEY-AWEZNQCLSA-N 2 0 247.342 1.474 20 0 BDADRP C[C@@H]([NH3+])CCNc1ccc2c(c1)C[NH2+]C2 ZINC001170891143 972045570 /nfs/dbraw/zinc/04/55/70/972045570.db2.gz PNUNCDBSJMKXHU-SECBINFHSA-N 2 0 205.305 1.439 20 0 BDADRP CC(C)c1nccnc1N[C@H]([NH3+])CCC[NH3+] ZINC001170896626 972051179 /nfs/dbraw/zinc/05/11/79/972051179.db2.gz IDRFJKZGBLTFER-VIFPVBQESA-N 2 0 223.324 1.036 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc(CF)cc1 ZINC001170898036 972054143 /nfs/dbraw/zinc/05/41/43/972054143.db2.gz BFSBYCMSYMRSEZ-LLVKDONJSA-N 2 0 211.284 1.592 20 0 BDADRP Cc1ccc2c(ccnc2N[C@@H]([NH3+])CCC[NH3+])c1 ZINC001170897400 972054952 /nfs/dbraw/zinc/05/49/52/972054952.db2.gz GUWVALPUGJMMGW-CYBMUJFWSA-N 2 0 244.342 1.979 20 0 BDADRP COc1cc2cc[nH]c2cc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170899716 972060336 /nfs/dbraw/zinc/06/03/36/972060336.db2.gz DUHQPNBNNJBPQR-CYBMUJFWSA-N 2 0 248.330 1.612 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ccccc1OC(F)F ZINC001170899647 972060740 /nfs/dbraw/zinc/06/07/40/972060740.db2.gz KGAAXNHBYUNLNK-SNVBAGLBSA-N 2 0 245.273 1.724 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc2cnoc2c1 ZINC001170900112 972062632 /nfs/dbraw/zinc/06/26/32/972062632.db2.gz PBKDLWRVWDFLBO-NSHDSACASA-N 2 0 220.276 1.263 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ccccc1-c1ncc[nH]1 ZINC001170900062 972062681 /nfs/dbraw/zinc/06/26/81/972062681.db2.gz HVOKFVLYVUUOFX-GFCCVEGCSA-N 2 0 245.330 1.512 20 0 BDADRP CN(C)c1cc(F)cc(N[C@H]([NH3+])CCC[NH3+])c1 ZINC001170899771 972063453 /nfs/dbraw/zinc/06/34/53/972063453.db2.gz MKRKJRHOJFPOKA-LBPRGKRZSA-N 2 0 240.326 1.327 20 0 BDADRP Cc1cc(N[C@H]([NH3+])CCC[NH3+])c2nccn2c1 ZINC001170901240 972068247 /nfs/dbraw/zinc/06/82/47/972068247.db2.gz XIUXOPVBLQRXBA-NSHDSACASA-N 2 0 233.319 1.078 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1cc(Cl)ncc1Cl ZINC001170902861 972072219 /nfs/dbraw/zinc/07/22/19/972072219.db2.gz GGOYOGCRNDKXJW-VIFPVBQESA-N 2 0 249.145 1.824 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1nccc2ccoc21 ZINC001159779901 972107707 /nfs/dbraw/zinc/10/77/07/972107707.db2.gz KOBIWYAVSVCQHL-VIFPVBQESA-N 2 0 220.276 1.263 20 0 BDADRP C=Cc1ccc(N[C@@H]([NH3+])CCC[NH3+])nc1 ZINC001159786615 972113334 /nfs/dbraw/zinc/11/33/34/972113334.db2.gz FQRBECIPOVSHOJ-SNVBAGLBSA-N 2 0 206.293 1.160 20 0 BDADRP Cc1ccnc(N[C@@H]([NH3+])CCC[NH3+])c1Cl ZINC001159783972 972111064 /nfs/dbraw/zinc/11/10/64/972111064.db2.gz FTJAOYZSGWDIKO-MRVPVSSYSA-N 2 0 228.727 1.479 20 0 BDADRP C[C@@H]1CCc2nnc(N[C@H]([NH3+])CCC[NH3+])cc2C1 ZINC001159788762 972115696 /nfs/dbraw/zinc/11/56/96/972115696.db2.gz LMNLCTJBLUQOJV-SKDRFNHKSA-N 2 0 249.362 1.037 20 0 BDADRP CCc1c(Cl)ncnc1N[C@@H]([NH3+])CCC[NH3+] ZINC001159787624 972116657 /nfs/dbraw/zinc/11/66/57/972116657.db2.gz AGHBLXXSKGGOOV-MRVPVSSYSA-N 2 0 243.742 1.128 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC[C@@H]2O)CC[NH2+]1 ZINC001246073237 972124738 /nfs/dbraw/zinc/12/47/38/972124738.db2.gz RSDLDCLGUIFKNF-RHYQMDGZSA-N 2 0 212.337 1.020 20 0 BDADRP Cc1ccc(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)cc1 ZINC001246073080 972125753 /nfs/dbraw/zinc/12/57/53/972125753.db2.gz SZTVCJKMFXPJLE-CQSZACIVSA-N 2 0 245.370 1.179 20 0 BDADRP CC(C)OCC[C@@H](C)[NH2+]C1CC[NH2+]CC1 ZINC001246080425 972134818 /nfs/dbraw/zinc/13/48/18/972134818.db2.gz QZWIYVNCECLUNS-LLVKDONJSA-N 2 0 214.353 1.532 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@@H](F)C2)CC[NH2+]1 ZINC001246089860 972142106 /nfs/dbraw/zinc/14/21/06/972142106.db2.gz CAHRANNIXDARLX-KKOKHZNYSA-N 2 0 214.328 1.855 20 0 BDADRP C[C@H]1C[C@@H]([NH2+][C@H]2CCCC[NH2+]C2)CCO1 ZINC001246090640 972144551 /nfs/dbraw/zinc/14/45/51/972144551.db2.gz LHVCTVROANZZRO-SRVKXCTJSA-N 2 0 212.337 1.286 20 0 BDADRP CC[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C)NC2)CCO1 ZINC001246085232 972140901 /nfs/dbraw/zinc/14/09/01/972140901.db2.gz QCRWSHQDQCBANL-CYDGBPFRSA-N 2 0 226.364 1.674 20 0 BDADRP C[NH2+]CCCCNC(=O)CCCCCCC[NH3+] ZINC001220077266 972152270 /nfs/dbraw/zinc/15/22/70/972152270.db2.gz BSRHAXAUFKZZJK-UHFFFAOYSA-N 2 0 243.395 1.402 20 0 BDADRP C[C@@H]1C[C@@H](N[C@]2(C)CCC[NH2+]CC2)CC[NH2+]1 ZINC001246102049 972160450 /nfs/dbraw/zinc/16/04/50/972160450.db2.gz QSIVZQNREIEBCY-FRRDWIJNSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@@H]1C[C@H](N[C@@]2(C)CCC[NH2+]CC2)CC[NH2+]1 ZINC001246102064 972161322 /nfs/dbraw/zinc/16/13/22/972161322.db2.gz QSIVZQNREIEBCY-UPJWGTAASA-N 2 0 225.380 1.249 20 0 BDADRP C[C@@H]1C[C@@H](N[C@@H]2C[NH2+]CC[C@H]2C)C[C@H](C)[NH2+]1 ZINC001246102478 972161508 /nfs/dbraw/zinc/16/15/08/972161508.db2.gz PDVWIGAHNKASIH-UJPOAAIJSA-N 2 0 225.380 1.103 20 0 BDADRP C[C@@H]1CC[C@@H](CN[C@H]2CC[NH2+][C@H](C)C2)[NH2+]C1 ZINC001246104430 972165566 /nfs/dbraw/zinc/16/55/66/972165566.db2.gz JQZAPIFUZRCCMN-NDBYEHHHSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[NH2+]CC[C@H]2C)CC[NH2+]1 ZINC001246104785 972166525 /nfs/dbraw/zinc/16/65/25/972166525.db2.gz BZFSFQOOFQQCER-MQYQWHSLSA-N 3 0 239.407 1.352 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC001246113518 972177517 /nfs/dbraw/zinc/17/75/17/972177517.db2.gz RCQFPKMFDUOGQV-FRRDWIJNSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H]1C[C@H](NC[C@H]2CCC[NH2+][C@H]2C)CC[NH2+]1 ZINC001246114479 972179506 /nfs/dbraw/zinc/17/95/06/972179506.db2.gz WQOOWWMCIZZXSF-YVECIDJPSA-N 2 0 225.380 1.105 20 0 BDADRP CCCC[C@@H]1C[C@H](NC2CC([NH3+])C2)CC[NH2+]1 ZINC001246116851 972180469 /nfs/dbraw/zinc/18/04/69/972180469.db2.gz XWMUKNBFWORLFU-QZQSVVMZSA-N 2 0 225.380 1.377 20 0 BDADRP CC[C@@H](C)C[C@@H](C)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220240890 972185798 /nfs/dbraw/zinc/18/57/98/972185798.db2.gz QLWWHXMIOWVZQI-UTUOFQBUSA-N 2 0 243.395 1.384 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@H]1CCc2cccc(F)c2C1 ZINC001170968338 972183946 /nfs/dbraw/zinc/18/39/46/972183946.db2.gz DLHFOHMKCFZULX-JQWIXIFHSA-N 2 0 236.334 1.867 20 0 BDADRP C1CC12C[NH2+]C[C@@H]2[NH2+][C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246131372 972187881 /nfs/dbraw/zinc/18/78/81/972187881.db2.gz JNRLLFPVMWIBPQ-MELADBBJSA-N 3 0 249.402 1.250 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N[C@H]1C[NH2+]CC12CC2 ZINC001246130691 972188839 /nfs/dbraw/zinc/18/88/39/972188839.db2.gz JDWVHHABCCVPSJ-STQMWFEESA-N 2 0 239.407 1.448 20 0 BDADRP C1CC12C[NH2+]C[C@H]2[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246131424 972189280 /nfs/dbraw/zinc/18/92/80/972189280.db2.gz JWDQGGLXZYBEQF-CHWSQXEVSA-N 3 0 249.402 1.250 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1C[NH2+]CC13CC3)C2 ZINC001246134128 972190766 /nfs/dbraw/zinc/19/07/66/972190766.db2.gz PIDGXXVXDKIMEK-FQUUOJAGSA-N 2 0 249.402 1.343 20 0 BDADRP CC[C@H](C)OCC[C@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC001246187240 972212586 /nfs/dbraw/zinc/21/25/86/972212586.db2.gz NEORBKOOTPYSIX-RWMBFGLXSA-N 2 0 228.380 1.922 20 0 BDADRP CC[C@@H]1C[C@@H](NC[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246199151 972214954 /nfs/dbraw/zinc/21/49/54/972214954.db2.gz JDNRTJROLKEMOC-UPJWGTAASA-N 2 0 225.380 1.106 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C2CN(C3CC[NH2+]CC3)C2)C1 ZINC001246217381 972218885 /nfs/dbraw/zinc/21/88/85/972218885.db2.gz GABWTEQHKJHXEY-NEPJUHHUSA-N 2 0 237.391 1.201 20 0 BDADRP Nc1cc[nH+]c(-n2ccnc2[C@@H]2CCC[NH2+]C2)c1 ZINC001167055743 956976974 /nfs/dbraw/zinc/97/69/74/956976974.db2.gz LHMHFGFIYNYSJR-SNVBAGLBSA-N 2 0 243.314 1.317 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH+]2CC3(C2)CCOCC3)C1 ZINC001208606367 957086123 /nfs/dbraw/zinc/08/61/23/957086123.db2.gz FFMLASOYGWJNRG-CYBMUJFWSA-N 2 0 238.375 1.441 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc2c1OCC2 ZINC000692967652 957165060 /nfs/dbraw/zinc/16/50/60/957165060.db2.gz RZKISLSLFGDYKU-GXTWGEPZSA-N 2 0 246.354 1.839 20 0 BDADRP C[C@H]([NH3+])CCN[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246303576 972265006 /nfs/dbraw/zinc/26/50/06/972265006.db2.gz ITICMZZVUBFDIE-QJPTWQEYSA-N 2 0 227.396 1.480 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246307348 972271490 /nfs/dbraw/zinc/27/14/90/972271490.db2.gz WXZVYGHPWRDOGC-XQQFMLRXSA-N 3 0 225.380 1.236 20 0 BDADRP CCOC(=O)C(C)(C)C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246313509 972274332 /nfs/dbraw/zinc/27/43/32/972274332.db2.gz FEPFZYMIJSVRSD-WDEREUQCSA-N 2 0 242.363 1.306 20 0 BDADRP Nc1cc[nH+]cc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001209729714 957525590 /nfs/dbraw/zinc/52/55/90/957525590.db2.gz AKLAIQHIMUOFDG-CYBMUJFWSA-N 2 0 246.358 1.164 20 0 BDADRP CCCCC[C@H]([NH2+]C)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001220889428 972276122 /nfs/dbraw/zinc/27/61/22/972276122.db2.gz KQUFCGSEJCGMEL-NEPJUHHUSA-N 2 0 241.379 1.023 20 0 BDADRP C[n+]1cccc(-n2ccc3cc(C[NH3+])cnc32)c1 ZINC001167316450 957741013 /nfs/dbraw/zinc/74/10/13/957741013.db2.gz WGONBQYGELMHBT-UHFFFAOYSA-N 2 0 239.302 1.309 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H](C[NH2+]C2CC[NH2+]CC2)C1 ZINC001246446125 972315073 /nfs/dbraw/zinc/31/50/73/972315073.db2.gz ACYNDSCCSWPSCC-NEPJUHHUSA-N 3 0 225.380 1.093 20 0 BDADRP Cc1cccc2c1CC[C@@H]([NH2+][C@H]1CC13C[NH2+]C3)C2 ZINC001246443103 972315691 /nfs/dbraw/zinc/31/56/91/972315691.db2.gz FTAWLQSUEJKCQT-HIFRSBDPSA-N 2 0 242.366 1.804 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CCCNCCC[NH3+])C[C@@H]1C ZINC001246455071 972323114 /nfs/dbraw/zinc/32/31/14/972323114.db2.gz WREYYBAKFBUKSE-HZSPNIEDSA-N 2 0 241.423 1.729 20 0 BDADRP CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000723117633 958250268 /nfs/dbraw/zinc/25/02/68/958250268.db2.gz IAYCMOYTEVUDIU-VOAKCMCISA-N 2 0 208.349 1.716 20 0 BDADRP CCSC[C@H](C)[N@H+](C)C[C@@H](C)C[NH3+] ZINC000706965235 958312383 /nfs/dbraw/zinc/31/23/83/958312383.db2.gz WAUPCRCCAXJSSK-UWVGGRQHSA-N 2 0 204.383 1.655 20 0 BDADRP COC1CCC([NH2+]C2CC[NH2+]CC2)CC1 ZINC000707341443 958476559 /nfs/dbraw/zinc/47/65/59/958476559.db2.gz ZUTUPHRFUDUWFE-UHFFFAOYSA-N 2 0 212.337 1.286 20 0 BDADRP C[C@@H]1CC[C@@H](NCC[NH+]2CCCCCC2)C[NH2+]1 ZINC000399006224 958481942 /nfs/dbraw/zinc/48/19/42/958481942.db2.gz YLRAHWJDZAPSCW-ZIAGYGMSSA-N 2 0 239.407 1.593 20 0 BDADRP C[C@@H]1CC[C@@H](NC[C@H]2CCC[N@H+](C)C2)C[NH2+]1 ZINC000399027810 958492113 /nfs/dbraw/zinc/49/21/13/958492113.db2.gz IBQLZKHZFJXZLF-JHJVBQTASA-N 2 0 225.380 1.058 20 0 BDADRP CO[C@H]1CC[C@@H]1[N@H+](C)CC1CC[NH2+]CC1 ZINC000724151258 958737322 /nfs/dbraw/zinc/73/73/22/958737322.db2.gz FMWDBTXGVBMVJR-RYUDHWBXSA-N 2 0 212.337 1.095 20 0 BDADRP COC[C@@H]1CC[N@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207276065 958845256 /nfs/dbraw/zinc/84/52/56/958845256.db2.gz TXXFAGBZYPOGSF-GFCCVEGCSA-N 2 0 228.380 1.543 20 0 BDADRP CCSCC[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000690738099 958857411 /nfs/dbraw/zinc/85/74/11/958857411.db2.gz MXYSUVBYPDGYCA-SNVBAGLBSA-N 2 0 202.367 1.410 20 0 BDADRP CO[C@H]1CCC[N@@H+]([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246524305 972386065 /nfs/dbraw/zinc/38/60/65/972386065.db2.gz HLZIONBTFCMJSJ-WOPDTQHZSA-N 2 0 212.337 1.238 20 0 BDADRP Cc1cc2[nH+]ccn2cc1-n1cccc1C[NH3+] ZINC001167592662 958982844 /nfs/dbraw/zinc/98/28/44/958982844.db2.gz AGGHXSRTTQJUAC-UHFFFAOYSA-N 2 0 226.283 1.892 20 0 BDADRP C[NH+](C)/C=C/c1ccncc1-n1cccc1C[NH3+] ZINC001167600121 959021178 /nfs/dbraw/zinc/02/11/78/959021178.db2.gz HDZUKFJAKBSCIV-RMKNXTFCSA-N 2 0 242.326 1.863 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2CC[C@](C)([NH3+])C2)CC[NH2+]1 ZINC001246526839 972399027 /nfs/dbraw/zinc/39/90/27/972399027.db2.gz BWCCVHUILZYPJU-AGIUHOORSA-N 2 0 225.380 1.186 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](Cc2ccns2)C1 ZINC000690753565 959225530 /nfs/dbraw/zinc/22/55/30/959225530.db2.gz DULKPFLNRAKJCF-VIFPVBQESA-N 2 0 211.334 1.314 20 0 BDADRP C([C@H]1CCC[NH2+]C1)N1CCC[C@]12CCC[NH2+]C2 ZINC001222230947 972413484 /nfs/dbraw/zinc/41/34/84/972413484.db2.gz HQVXDWROYPLWEC-KBPBESRZSA-N 2 0 237.391 1.204 20 0 BDADRP CSCCC[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222231619 972413895 /nfs/dbraw/zinc/41/38/95/972413895.db2.gz OEUJPOPEIJSWSK-LBPRGKRZSA-N 2 0 228.405 1.958 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC(F)(C3CC3)CC2)C1 ZINC000724823594 959324486 /nfs/dbraw/zinc/32/44/86/959324486.db2.gz QEQVNPTUGXZYHX-KLPPZKSPSA-N 2 0 226.339 1.938 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCS[C@@H](C)[C@H]1C ZINC000300357152 959376395 /nfs/dbraw/zinc/37/63/95/959376395.db2.gz VKHAWIJOKKCWGO-WYUUTHIRSA-N 2 0 228.405 1.668 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]CC2=CCCOC2)C12CCC2 ZINC000405237112 959424762 /nfs/dbraw/zinc/42/47/62/959424762.db2.gz FGLVSEMJUJDADK-RYUDHWBXSA-N 2 0 222.332 1.193 20 0 BDADRP CC[C@@H]([NH3+])CN1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222264849 972431665 /nfs/dbraw/zinc/43/16/65/972431665.db2.gz IPJUUFVTDQLJCQ-CHWSQXEVSA-N 2 0 225.380 1.189 20 0 BDADRP C[C@H]1CSC[C@@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000308963256 959549146 /nfs/dbraw/zinc/54/91/46/959549146.db2.gz KQMOWRJLUJYFAS-RYUDHWBXSA-N 2 0 228.405 1.813 20 0 BDADRP F[C@H]1CCC[NH2+]C[C@H]1OCCC1CC[NH2+]CC1 ZINC001217776064 959585383 /nfs/dbraw/zinc/58/53/83/959585383.db2.gz XUYGECJKALDMLU-QWHCGFSZSA-N 2 0 244.354 1.483 20 0 BDADRP C[C@@H]1[NH2+]C[C@H]1OCc1ccc2c(c1)CC[NH2+]C2 ZINC001217905830 959735768 /nfs/dbraw/zinc/73/57/68/959735768.db2.gz CDDCQGQOUQFEGM-IINYFYTJSA-N 2 0 232.327 1.209 20 0 BDADRP COC(=O)C1CCC([N@@H+]2CC[C@](C)([NH3+])C2)CC1 ZINC001246531686 972454020 /nfs/dbraw/zinc/45/40/20/972454020.db2.gz SAJSNZWNTKDRPL-XIVSLSHWSA-N 2 0 240.347 1.141 20 0 BDADRP COC1(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)CCCC1 ZINC000692478695 959751351 /nfs/dbraw/zinc/75/13/51/959751351.db2.gz LLIBOXXPLVYVFP-CHWSQXEVSA-N 2 0 240.391 1.862 20 0 BDADRP FC1(F)CC[NH2+]C[C@H]1OCC[C@@H]1CCC[NH2+]C1 ZINC001217929103 959779140 /nfs/dbraw/zinc/77/91/40/959779140.db2.gz YOFPIRCSUMALCR-WDEREUQCSA-N 2 0 248.317 1.390 20 0 BDADRP CC(C)OCC[NH2+]C1CCC([NH+](C)C)CC1 ZINC000309403304 959871120 /nfs/dbraw/zinc/87/11/20/959871120.db2.gz WSEFIXMYSNKZEK-UHFFFAOYSA-N 2 0 228.380 1.874 20 0 BDADRP COC(C)(C)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000309441429 959876660 /nfs/dbraw/zinc/87/66/60/959876660.db2.gz IQFJEAQPSHCELG-UHFFFAOYSA-N 2 0 228.380 1.874 20 0 BDADRP COC[C@H](C[N@H+](C)C1(C[NH3+])CCCCC1)OC ZINC000694659124 959954163 /nfs/dbraw/zinc/95/41/63/959954163.db2.gz GEUROTIRCLZNDC-LBPRGKRZSA-N 2 0 244.379 1.241 20 0 BDADRP C([C@H]1CCCC[NH2+]1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222421560 972471190 /nfs/dbraw/zinc/47/11/90/972471190.db2.gz NBKYUDURSVXQEA-KGLIPLIRSA-N 2 0 237.391 1.347 20 0 BDADRP C[C@@H]1CC[C@@H](Oc2ccc3c(c2)C[NH2+]C3)C[NH2+]1 ZINC001218409951 960067704 /nfs/dbraw/zinc/06/77/04/960067704.db2.gz ZLNVAZFNWFPKNI-QMTHXVAHSA-N 2 0 232.327 1.809 20 0 BDADRP F[C@H]1CCCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC001207436298 960081699 /nfs/dbraw/zinc/08/16/99/960081699.db2.gz BEAHPTLMNUCEFT-LBPRGKRZSA-N 2 0 214.328 1.810 20 0 BDADRP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@@H]1F ZINC001207436821 960088699 /nfs/dbraw/zinc/08/86/99/960088699.db2.gz QSPNCKPXGVHCRG-KOLCDFICSA-N 2 0 200.301 1.276 20 0 BDADRP C[NH2+]CCNc1ccc([C@H]2CCC[NH2+]2)cn1 ZINC001167721996 960207925 /nfs/dbraw/zinc/20/79/25/960207925.db2.gz WGPBZBIDTVAZEV-LLVKDONJSA-N 2 0 220.320 1.137 20 0 BDADRP OCCCC[NH+]1CCC2(CCC[NH2+]C2)CC1 ZINC001222452289 972492708 /nfs/dbraw/zinc/49/27/08/972492708.db2.gz FBKQKLZAGYSXRJ-UHFFFAOYSA-N 2 0 226.364 1.225 20 0 BDADRP CC1(C)OC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)O1 ZINC000709294343 960478802 /nfs/dbraw/zinc/47/88/02/960478802.db2.gz YVWDWRZLQJHTDF-AYLPWXGPSA-N 2 0 240.347 1.011 20 0 BDADRP C[C@@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1CO ZINC000709302908 960495365 /nfs/dbraw/zinc/49/53/65/960495365.db2.gz RNTVVLUHOHUXKQ-YIPFDTCYSA-N 2 0 238.375 1.362 20 0 BDADRP O=c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c[nH]1 ZINC000709356332 960528812 /nfs/dbraw/zinc/52/88/12/960528812.db2.gz ZAWDRQAUWKCENH-FOSCPWQOSA-N 2 0 233.315 1.160 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCC(=O)NC(C)(C)C)CC[NH2+]1 ZINC000709355823 960531980 /nfs/dbraw/zinc/53/19/80/960531980.db2.gz ROHNLSWAMOYRKV-WDEREUQCSA-N 2 0 241.379 1.021 20 0 BDADRP C[C@@H]1CCC[N@H+](CC2CC[NH+](C)CC2)[C@H]1CO ZINC000709415935 960583154 /nfs/dbraw/zinc/58/31/54/960583154.db2.gz SQGWVKAHQIMUFL-OCCSQVGLSA-N 2 0 240.391 1.421 20 0 BDADRP C(=C/C1CC1)\C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709487139 960618357 /nfs/dbraw/zinc/61/83/57/960618357.db2.gz AKCJFDHFRXWCMP-MHZOUISFSA-N 2 0 206.333 1.825 20 0 BDADRP CSCC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C)C1 ZINC000709482740 960621713 /nfs/dbraw/zinc/62/17/13/960621713.db2.gz MIEGQKFOQJBKHW-MNOVXSKESA-N 2 0 216.394 1.669 20 0 BDADRP Cc1ccnc(C[NH+]2CCC(F)(C[NH3+])CC2)c1 ZINC001222533415 960683805 /nfs/dbraw/zinc/68/38/05/960683805.db2.gz YDXBCVFOWDTPJL-UHFFFAOYSA-N 2 0 237.322 1.653 20 0 BDADRP C[C@@H]1NCCC[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000925725658 960820041 /nfs/dbraw/zinc/82/00/41/960820041.db2.gz MIAWHRAPTPDJAD-CYDGBPFRSA-N 2 0 225.380 1.234 20 0 BDADRP [NH2+]=CNc1cccc2nc([C@H]3C[NH2+]CCO3)cn21 ZINC001167868075 961359607 /nfs/dbraw/zinc/35/96/07/961359607.db2.gz QGFQIRYMHYQZMZ-SNVBAGLBSA-N 2 0 245.286 1.014 20 0 BDADRP [NH2+]=C(NCCCC[NH3+])Nc1ccc(=S)[nH]c1 ZINC001167879713 961458729 /nfs/dbraw/zinc/45/87/29/961458729.db2.gz YYGYLXZOOCOUBV-UHFFFAOYSA-N 2 0 239.348 1.045 20 0 BDADRP CC(C)[NH2+]C[C@@H](C)CNC(=O)CCC[NH+](C)C ZINC001482138545 962162900 /nfs/dbraw/zinc/16/29/00/962162900.db2.gz XFJBMZCAZWZRSX-GFCCVEGCSA-N 2 0 243.395 1.079 20 0 BDADRP CC(C)CC[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC001152445398 962425614 /nfs/dbraw/zinc/42/56/14/962425614.db2.gz HGKJMOIHKQNLSI-UHFFFAOYSA-N 2 0 243.395 1.079 20 0 BDADRP CC[NH+]1C[C@@H]2C[NH+]([C@@H]3C[C@H]4C[C@H]4C3)C[C@H]2C1 ZINC001167947634 962567039 /nfs/dbraw/zinc/56/70/39/962567039.db2.gz CLJIDUJPFPMJKL-XVIXHAIJSA-N 2 0 220.360 1.668 20 0 BDADRP Cn1ccc2c1cc[nH+]c2-n1cnc(C[NH3+])c1 ZINC001154907101 962893741 /nfs/dbraw/zinc/89/37/41/962893741.db2.gz VOSLVYXLWBFBDU-UHFFFAOYSA-N 2 0 227.271 1.218 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H](Nc2ccc3c(n2)CC[NH2+]C3)C1 ZINC001154974622 962928122 /nfs/dbraw/zinc/92/81/22/962928122.db2.gz FHGVFQSRCIYQPV-VXGBXAGGSA-N 2 0 246.358 1.409 20 0 BDADRP Cc1c[nH+]c(NC[C@@H]2C[C@H](F)C[NH2+]2)cc1N ZINC001155038812 962947320 /nfs/dbraw/zinc/94/73/20/962947320.db2.gz YTLVRAQIJHTLJB-IUCAKERBSA-N 2 0 224.283 1.084 20 0 BDADRP CC1([NH3+])CN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167979278 963060558 /nfs/dbraw/zinc/06/05/58/963060558.db2.gz ZHABTVAQXKYWDZ-PBWFPOADSA-N 2 0 249.402 1.425 20 0 BDADRP Cc1ccc(N[C@H]2COCCC23C[NH2+]C3)[nH+]c1C ZINC001155461746 963084438 /nfs/dbraw/zinc/08/44/38/963084438.db2.gz MBSLVYWFAXIEAO-LBPRGKRZSA-N 2 0 247.342 1.489 20 0 BDADRP Nc1cc[nH+]c(N[C@@H]2C[NH2+]Cc3ccsc32)c1 ZINC001155559948 963108429 /nfs/dbraw/zinc/10/84/29/963108429.db2.gz SKHRQEVAWYLXOC-SNVBAGLBSA-N 2 0 246.339 1.982 20 0 BDADRP CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H](CC)[NH+](C)C ZINC001482331391 963140657 /nfs/dbraw/zinc/14/06/57/963140657.db2.gz QEDCCDOEHMEIQE-RYUDHWBXSA-N 2 0 243.395 1.173 20 0 BDADRP C[C@H](C[NH+](C)C)Nc1ccc2c(n1)CC[NH2+]C2 ZINC001155915811 963202280 /nfs/dbraw/zinc/20/22/80/963202280.db2.gz ZCMCUDQTWVGTSL-SNVBAGLBSA-N 2 0 234.347 1.089 20 0 BDADRP [NH2+]=C(NCCCC[NH3+])Nc1cccc(C2CC2)n1 ZINC001157101797 963530544 /nfs/dbraw/zinc/53/05/44/963530544.db2.gz ONFOSQZGBCKRGU-UHFFFAOYSA-N 2 0 247.346 1.634 20 0 BDADRP [NH2+]=C(NCCCC[NH3+])Nc1ccnc(C2CC2)n1 ZINC001157096607 963531450 /nfs/dbraw/zinc/53/14/50/963531450.db2.gz LCCWDKWUNSVXMH-UHFFFAOYSA-N 2 0 248.334 1.029 20 0 BDADRP C[N@@H+]1CC[C@H](Nc2cccc(C[NH3+])c2)C1 ZINC000082643354 963554946 /nfs/dbraw/zinc/55/49/46/963554946.db2.gz PQCMJDBLFCLPHN-LBPRGKRZSA-N 2 0 205.305 1.261 20 0 BDADRP C[C@@H]1CCC[C@@H](C)N1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001157451321 963611599 /nfs/dbraw/zinc/61/15/99/963611599.db2.gz SPJIFCRGSUBPIS-UTUOFQBUSA-N 2 0 241.379 1.232 20 0 BDADRP CCN(CC)C(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001157464793 963622923 /nfs/dbraw/zinc/62/29/23/963622923.db2.gz QPZUUWLNFRQFTA-LBPRGKRZSA-N 2 0 243.395 1.350 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)CCO1 ZINC001168078745 963624625 /nfs/dbraw/zinc/62/46/25/963624625.db2.gz NOVIOXLJPNQALI-YNEHKIRRSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[NH3+])CCO1 ZINC001168090165 963680448 /nfs/dbraw/zinc/68/04/48/963680448.db2.gz BFWMPMUNXKSAAL-BXUZGUMPSA-N 2 0 234.343 1.802 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C(C)(C)C(C)(C)[NH3+])CCO1 ZINC001168092424 963687851 /nfs/dbraw/zinc/68/78/51/963687851.db2.gz QJAIWZDBTOXSAP-UWVGGRQHSA-N 2 0 214.353 1.659 20 0 BDADRP CCC[N@H+]1C[C@H]2CN(c3cc(N)cc[nH+]3)C[C@H]2C1 ZINC001157690945 963705382 /nfs/dbraw/zinc/70/53/82/963705382.db2.gz SRPAUHOPFUBIKG-TXEJJXNPSA-N 2 0 246.358 1.442 20 0 BDADRP Cc1c[nH+]c(N2CC[C@@](F)(C[NH3+])C2)cc1C ZINC001157816920 963736841 /nfs/dbraw/zinc/73/68/41/963736841.db2.gz PAVXKGYMGCMAAQ-GFCCVEGCSA-N 2 0 223.295 1.576 20 0 BDADRP CC[N@H+](C1CCN(C)CC1)[C@H]1CCO[C@@H](C)C1 ZINC001168127672 963804675 /nfs/dbraw/zinc/80/46/75/963804675.db2.gz IBSYGHHMDNIJTP-JSGCOSHPSA-N 2 0 240.391 1.970 20 0 BDADRP C[C@@H]1C[C@@H]([N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CCO1 ZINC001168139485 963843181 /nfs/dbraw/zinc/84/31/81/963843181.db2.gz TVWHBCUFUOPPIJ-NDBYEHHHSA-N 2 0 224.348 1.047 20 0 BDADRP C[C@H]1C[C@H]([N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CCO1 ZINC001168139488 963843373 /nfs/dbraw/zinc/84/33/73/963843373.db2.gz TVWHBCUFUOPPIJ-WUHRBBMRSA-N 2 0 224.348 1.047 20 0 BDADRP CC1(Nc2ccc3c([nH+]2)NCCO3)CC[NH2+]CC1 ZINC001168188463 963949864 /nfs/dbraw/zinc/94/98/64/963949864.db2.gz XMPLRAXAZRTFTD-UHFFFAOYSA-N 2 0 248.330 1.440 20 0 BDADRP CN(C)c1cc[nH+]c(N2CCC3(C[NH2+]C3)CC2)c1 ZINC001159042439 963979506 /nfs/dbraw/zinc/97/95/06/963979506.db2.gz VBPLQEHHIYNSQJ-UHFFFAOYSA-N 2 0 246.358 1.337 20 0 BDADRP COC(=N)c1cccc(-n2cc(C[NH3+])cn2)c1 ZINC001168258896 964076669 /nfs/dbraw/zinc/07/66/69/964076669.db2.gz DDKHXCDICJJNKZ-UHFFFAOYSA-N 2 0 230.271 1.303 20 0 BDADRP C[C@H](Nc1ccc2c([nH+]1)CCC2)[C@@H]1C[NH2+]CCO1 ZINC001159495549 964112333 /nfs/dbraw/zinc/11/23/33/964112333.db2.gz GAQDMFIUGFJNQY-GWCFXTLKSA-N 2 0 247.342 1.359 20 0 BDADRP c1cc2c(c(NC3=CC[NH2+]CC3)c1)CC[NH2+]C2 ZINC001159548100 964120519 /nfs/dbraw/zinc/12/05/19/964120519.db2.gz VFXIOOHIWKYDMS-UHFFFAOYSA-N 2 0 229.327 1.621 20 0 BDADRP [NH3+]Cc1ccccc1NC1=CCC[NH2+]CC1 ZINC001159736042 964172000 /nfs/dbraw/zinc/17/20/00/964172000.db2.gz YFRKAPBZKGTUPX-UHFFFAOYSA-N 2 0 217.316 1.825 20 0 BDADRP COc1cc(Cl)nc(N[C@H]([NH3+])CCC[NH3+])c1 ZINC001159784934 964195920 /nfs/dbraw/zinc/19/59/20/964195920.db2.gz MQVBIEUGZYZBTE-VIFPVBQESA-N 2 0 244.726 1.179 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1nccc2cnccc21 ZINC001159786591 964202568 /nfs/dbraw/zinc/20/25/68/964202568.db2.gz FCJDXNKFNJMDNG-NSHDSACASA-N 2 0 231.303 1.065 20 0 BDADRP [NH3+][C@@H]1Cc2ccc(NC3=CCC[NH2+]CC3)cc2C1 ZINC001159833368 964208296 /nfs/dbraw/zinc/20/82/96/964208296.db2.gz WRTPJVCUEYIOTR-CYBMUJFWSA-N 2 0 243.354 1.792 20 0 BDADRP Cc1cnc(Nc2ccc(C[NH3+])nc2)c(C[NH3+])c1 ZINC001160402556 964298446 /nfs/dbraw/zinc/29/84/46/964298446.db2.gz UKWRWKJGYANVRI-UHFFFAOYSA-N 2 0 243.314 1.446 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@H]2C[C@H](CO)C2)CC1 ZINC001168298382 964386068 /nfs/dbraw/zinc/38/60/68/964386068.db2.gz QGYXACYDSMCVPD-RUXNMCCTSA-N 2 0 226.364 1.220 20 0 BDADRP COC(C)(C[NH2+]C1CCC([NH+](C)C)CC1)OC ZINC001168299496 964391394 /nfs/dbraw/zinc/39/13/94/964391394.db2.gz LOZWDLDCGUDECV-UHFFFAOYSA-N 2 0 244.379 1.458 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@H]2CCOC[C@@H]2F)CC1 ZINC001168299899 964392202 /nfs/dbraw/zinc/39/22/02/964392202.db2.gz PWASNAICSZHFOG-TYUFSLCMSA-N 2 0 244.354 1.576 20 0 BDADRP COC[C@H]1CC[N@@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168314471 964418476 /nfs/dbraw/zinc/41/84/76/964418476.db2.gz LZCXSXYFKFBTOP-HSBZDZAISA-N 2 0 240.391 1.828 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC001168316434 964432921 /nfs/dbraw/zinc/43/29/21/964432921.db2.gz YQNSWEOQJVBOOT-IFWUJCSASA-N 3 0 225.380 1.329 20 0 BDADRP Nc1cc[nH+]c(NCc2ccccc2C[NH3+])c1 ZINC001160906368 964442383 /nfs/dbraw/zinc/44/23/83/964442383.db2.gz VFCQAFJJQJTQDR-UHFFFAOYSA-N 2 0 228.299 1.735 20 0 BDADRP COc1cc[nH+]c(NCC[C@H]2CCC[N@@H+]2C)c1 ZINC001160966399 964459572 /nfs/dbraw/zinc/45/95/72/964459572.db2.gz FQKRDWMJOULOPL-LLVKDONJSA-N 2 0 235.331 1.986 20 0 BDADRP COC(=O)CC[N@H+](C)C1CCC([NH+](C)C)CC1 ZINC001168329231 964463066 /nfs/dbraw/zinc/46/30/66/964463066.db2.gz QWKGLBVIMHYMEE-UHFFFAOYSA-N 2 0 242.363 1.354 20 0 BDADRP C[NH+](C)CCNc1ccc([C@@H]2CCC[NH2+]2)cn1 ZINC001161666314 964674167 /nfs/dbraw/zinc/67/41/67/964674167.db2.gz KKWUSAFHTNUGLH-LBPRGKRZSA-N 2 0 234.347 1.480 20 0 BDADRP Cn1c(=O)cccc1[NH2+]CCCC[NH+](C)C ZINC001161730399 964719270 /nfs/dbraw/zinc/71/92/70/964719270.db2.gz ALSQMUUZMMRONM-UHFFFAOYSA-N 2 0 223.320 1.139 20 0 BDADRP COC[C@H](C)[N@H+](C)CCCCCC[NH3+] ZINC000042519568 964813847 /nfs/dbraw/zinc/81/38/47/964813847.db2.gz WICKTHKIJAJWPU-NSHDSACASA-N 2 0 202.342 1.472 20 0 BDADRP C[N@@H+]1CCCC[C@H]1CO[C@@H]1C[NH+]2CCC1CC2 ZINC001224700894 964886237 /nfs/dbraw/zinc/88/62/37/964886237.db2.gz BVPHTCKMTDXHIU-UONOGXRCSA-N 2 0 238.375 1.582 20 0 BDADRP Cc1ccc(-n2cnc(C[NH3+])c2)c(C[NH+](C)C)c1 ZINC001162304910 964922072 /nfs/dbraw/zinc/92/20/72/964922072.db2.gz YTPFCCQIXZQSHW-UHFFFAOYSA-N 2 0 244.342 1.701 20 0 BDADRP Cc1c[nH+]c(N[C@H]2C[C@@](C)([NH3+])C2)c(N)c1 ZINC001162328466 964934139 /nfs/dbraw/zinc/93/41/39/964934139.db2.gz CNEVLYMXQIRBEZ-DKTWLAJQSA-N 2 0 206.293 1.264 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H](Nc2ccc3c(n2)C[NH2+]CC3)C1 ZINC001162393960 964953508 /nfs/dbraw/zinc/95/35/08/964953508.db2.gz NXGYIJGNENSYEG-VXGBXAGGSA-N 2 0 246.358 1.409 20 0 BDADRP C[C@H]([NH3+])c1ccc(N[C@@H]2CCC[C@H]([NH3+])C2)cn1 ZINC001162406094 964966262 /nfs/dbraw/zinc/96/62/62/964966262.db2.gz ZESFGJYETDVEPV-GARJFASQSA-N 2 0 234.347 1.783 20 0 BDADRP C[C@H]1C[NH2+]CCC[C@@H]1CNc1c[nH+]cn1C ZINC001162459516 964987634 /nfs/dbraw/zinc/98/76/34/964987634.db2.gz ZRCXUPQDCBJFRK-WDEREUQCSA-N 2 0 222.336 1.468 20 0 BDADRP Cc1cc(NC[C@@H]2C[C@H](F)C[NH2+]2)cc(C)[nH+]1 ZINC001162478007 964989092 /nfs/dbraw/zinc/98/90/92/964989092.db2.gz PMKYJVRLABZKCX-JQWIXIFHSA-N 2 0 223.295 1.232 20 0 BDADRP C[NH+]1[C@@H]2CC[C@H]1C[C@H](OC[C@@H]1CCC[N@H+]1C)C2 ZINC001224817959 964990879 /nfs/dbraw/zinc/99/08/79/964990879.db2.gz FBPBKKJAPAILIH-CRWXNKLISA-N 2 0 238.375 1.722 20 0 BDADRP C[C@@H]1C[C@@H](CNc2ccc3c([nH+]2)NCCO3)C[NH2+]1 ZINC001162558605 965047026 /nfs/dbraw/zinc/04/70/26/965047026.db2.gz AYIQDJWZMYYUIW-NXEZZACHSA-N 2 0 248.330 1.296 20 0 BDADRP C[n+]1cccc(NC[C@]2(F)CCCC[NH2+]C2)c1 ZINC001162586759 965059759 /nfs/dbraw/zinc/05/97/59/965059759.db2.gz JXFWXWXKKHQGJE-ZDUSSCGKSA-N 2 0 238.330 1.405 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)CCOC(C)(C)C ZINC000689896541 965066855 /nfs/dbraw/zinc/06/68/55/965066855.db2.gz UWLMDTKEVDMXAY-NEPJUHHUSA-N 2 0 228.380 1.589 20 0 BDADRP [NH3+]Cc1ccnn1-c1cccc2c1CC[C@H]2[NH3+] ZINC001162597028 965068160 /nfs/dbraw/zinc/06/81/60/965068160.db2.gz ATLFWIZFHMHRDS-GFCCVEGCSA-N 2 0 228.299 1.277 20 0 BDADRP Cc1cc(N[C@@H]2CC[NH2+][C@@H]2C)nc2c1C[NH2+]CC2 ZINC001162666785 965102960 /nfs/dbraw/zinc/10/29/60/965102960.db2.gz QDPGRABRGYNTID-ZYHUDNBSSA-N 2 0 246.358 1.198 20 0 BDADRP C[C@H]1[NH2+]CC[C@H]1Nc1ccc2c(N)cc[nH+]c2c1 ZINC001162676534 965108181 /nfs/dbraw/zinc/10/81/81/965108181.db2.gz SJEYGYAFJIDJGE-NOZJJQNGSA-N 2 0 242.326 1.979 20 0 BDADRP Cc1cc(C)[nH+]c(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)c1 ZINC001162790817 965177194 /nfs/dbraw/zinc/17/71/94/965177194.db2.gz WCGXSBGBKKOSSL-JHJVBQTASA-N 2 0 229.327 1.884 20 0 BDADRP Cc1c[nH+]c(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)cc1C ZINC001162801096 965188107 /nfs/dbraw/zinc/18/81/07/965188107.db2.gz GININLWEVQSUEG-FRRDWIJNSA-N 2 0 229.327 1.884 20 0 BDADRP Cc1c[nH+]c(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)cc1C ZINC001162801098 965188211 /nfs/dbraw/zinc/18/82/11/965188211.db2.gz GININLWEVQSUEG-RWMBFGLXSA-N 2 0 229.327 1.884 20 0 BDADRP Cc1ccc(C)c(NC[C@]23C[NH2+]C[C@H]2COC3)[nH+]1 ZINC001163147870 965264033 /nfs/dbraw/zinc/26/40/33/965264033.db2.gz QDEFEJKJUMCVHS-JSGCOSHPSA-N 2 0 247.342 1.346 20 0 BDADRP Cn1c[nH+]cc1N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001163211479 965303636 /nfs/dbraw/zinc/30/36/36/965303636.db2.gz GIXVFBOQYPOKME-OCCSQVGLSA-N 2 0 242.326 1.935 20 0 BDADRP c1cc2c(s1)[C@@H](Nc1cc[nH+]cc1)C[NH2+]C2 ZINC001163220042 965307948 /nfs/dbraw/zinc/30/79/48/965307948.db2.gz KJMDGWLDOBHYQX-NSHDSACASA-N 2 0 231.324 1.821 20 0 BDADRP Cc1cccnc1N[C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163305476 965324094 /nfs/dbraw/zinc/32/40/94/965324094.db2.gz MSJURDZURFKSAS-TZMCWYRMSA-N 2 0 247.342 1.713 20 0 BDADRP CCSCC[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000690738094 965344223 /nfs/dbraw/zinc/34/42/23/965344223.db2.gz MXYSUVBYPDGYCA-JTQLQIEISA-N 2 0 202.367 1.410 20 0 BDADRP CCc1cc(-n2ccnc2C(N)=[NH2+])cc[nH+]1 ZINC001168420197 965368300 /nfs/dbraw/zinc/36/83/00/965368300.db2.gz QERCJAHTMMBSSW-UHFFFAOYSA-N 2 0 215.260 1.114 20 0 BDADRP c1cc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)cc[nH+]1 ZINC001163642825 965489690 /nfs/dbraw/zinc/48/96/90/965489690.db2.gz FTDZMFALORTFOV-UONOGXRCSA-N 2 0 247.342 1.217 20 0 BDADRP C[C@H](C[NH+](C)C)Nc1ccc2c(n1)C[NH2+]CC2 ZINC001163772734 965575859 /nfs/dbraw/zinc/57/58/59/965575859.db2.gz ONYJCHFCJQJGFV-SNVBAGLBSA-N 2 0 234.347 1.089 20 0 BDADRP Cc1ccc(N[C@@H](C)C[NH+](C)C)[nH+]c1N ZINC001163773087 965576020 /nfs/dbraw/zinc/57/60/20/965576020.db2.gz QUASNQSMCSVIIK-VIFPVBQESA-N 2 0 208.309 1.334 20 0 BDADRP C[C@H]1CC[C@@H](C[NH3+])N(c2cc(N(C)C)cc[nH+]2)C1 ZINC001164070932 965728936 /nfs/dbraw/zinc/72/89/36/965728936.db2.gz QKWBFEHLDNSRQZ-AAEUAGOBSA-N 2 0 248.374 1.711 20 0 BDADRP C[N@H+](C[C@H]1CCCO1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699213076 965817599 /nfs/dbraw/zinc/81/75/99/965817599.db2.gz YPQVFOISBFUKGK-WTUNAVPPSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)O1 ZINC000699263492 965825927 /nfs/dbraw/zinc/82/59/27/965825927.db2.gz KNEXBNFRVOAIPD-JWURUJNWSA-N 2 0 238.375 1.674 20 0 BDADRP Nc1cc[nH+]c2cc(N3CC[C@@H]([NH3+])C3)ccc12 ZINC001164285908 965828401 /nfs/dbraw/zinc/82/84/01/965828401.db2.gz AHGYRKLJOJYCSL-SECBINFHSA-N 2 0 228.299 1.354 20 0 BDADRP Nc1cc[nH+]c2cc(N3CC[C@H]([NH3+])C3)ccc12 ZINC001164285909 965830023 /nfs/dbraw/zinc/83/00/23/965830023.db2.gz AHGYRKLJOJYCSL-VIFPVBQESA-N 2 0 228.299 1.354 20 0 BDADRP [NH3+][C@@H]1CCN(c2cccc3c2CC[C@H]3[NH3+])C1 ZINC001164286943 965832593 /nfs/dbraw/zinc/83/25/93/965832593.db2.gz ZQYSOAPEWUQJGG-BXKDBHETSA-N 2 0 217.316 1.170 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2COC[C@@H]2CC)C1 ZINC000699485286 965911618 /nfs/dbraw/zinc/91/16/18/965911618.db2.gz OEBKMRWOZVLXID-RDBSUJKOSA-N 2 0 240.391 1.733 20 0 BDADRP CC[C@@H]1COC[C@@H]1[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000699529046 965942134 /nfs/dbraw/zinc/94/21/34/965942134.db2.gz ABGFJNWIVJOOBN-NDBYEHHHSA-N 2 0 226.364 1.484 20 0 BDADRP CC[C@@H]1COC[C@@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000699533725 965946891 /nfs/dbraw/zinc/94/68/91/965946891.db2.gz PNZPTNMKYYECHX-OLZOCXBDSA-N 2 0 224.348 1.263 20 0 BDADRP CN(C)c1cc[nH+]c(N2CCC[C@@H]2C[NH+](C)C)c1 ZINC001165072963 965953483 /nfs/dbraw/zinc/95/34/83/965953483.db2.gz QJTXCUGANMYACM-CYBMUJFWSA-N 2 0 248.374 1.678 20 0 BDADRP CCOc1cc[nH+]c(N2C[C@H]3C[NH+](C)C[C@@H]3C2)c1 ZINC001165146188 965972484 /nfs/dbraw/zinc/97/24/84/965972484.db2.gz CNPVAWCNQJNXGP-VXGBXAGGSA-N 2 0 247.342 1.478 20 0 BDADRP Nc1cccc(N2CCC3(CCCC[NH2+]3)CC2)[nH+]1 ZINC001165246021 966007566 /nfs/dbraw/zinc/00/75/66/966007566.db2.gz GBURPOGGVLAANU-UHFFFAOYSA-N 2 0 246.358 1.776 20 0 BDADRP [NH3+][C@]12C[C@H]1CN(c1cc(N3CCCC3)cc[nH+]1)C2 ZINC001165314862 966046541 /nfs/dbraw/zinc/04/65/41/966046541.db2.gz OFRFEGVCIGUHPZ-FZMZJTMJSA-N 2 0 244.342 1.219 20 0 BDADRP C[C@H]1C[N@H+](Cc2cncc(C3CC3)c2)C[C@H]1C[NH3+] ZINC001205151578 966063006 /nfs/dbraw/zinc/06/30/06/966063006.db2.gz WUCOHRFTEGSABS-XHDPSFHLSA-N 2 0 245.370 1.986 20 0 BDADRP [NH3+][C@]12CC[C@H]1C[N@H+](CC1CC3(C1)CC[NH2+]CC3)C2 ZINC001235980589 966196784 /nfs/dbraw/zinc/19/67/84/966196784.db2.gz QUOGYAXOUXZQST-ZFWWWQNUSA-N 2 0 249.402 1.189 20 0 BDADRP C[C@H]1CC(C[NH+]2CC(C)(C[NH3+])C2)C[C@H](C)O1 ZINC001206711288 966200811 /nfs/dbraw/zinc/20/08/11/966200811.db2.gz HWAKMKUTKCIZNS-QWRGUYRKSA-N 2 0 226.364 1.471 20 0 BDADRP [NH3+]Cc1ccc(CN2C[C@@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235989678 966208439 /nfs/dbraw/zinc/20/84/39/966208439.db2.gz JFCWSSMYJXTZFA-UONOGXRCSA-N 2 0 231.343 1.068 20 0 BDADRP CCN(CCCCCC[NH3+])[C@H]1CCC[NH2+]C1 ZINC001236004062 966224165 /nfs/dbraw/zinc/22/41/65/966224165.db2.gz CGKHFHUSQFNVBN-ZDUSSCGKSA-N 2 0 227.396 1.579 20 0 BDADRP C[C@H]1C[C@@H]([NH3+])CN(Cc2cccc(C[NH3+])c2)C1 ZINC001236052288 966256937 /nfs/dbraw/zinc/25/69/37/966256937.db2.gz PXFDFQCTJFCMOU-SMDDNHRTSA-N 2 0 233.359 1.314 20 0 BDADRP C[NH+](C)CC1(CN2CC(C)(C[NH3+])C2)CCCC1 ZINC001206712236 966265662 /nfs/dbraw/zinc/26/56/62/966265662.db2.gz YFVQJIRVSIUACF-UHFFFAOYSA-N 2 0 239.407 1.389 20 0 BDADRP CN(C)c1cc[nH+]c(N(C)C[C@@H]2CC[NH2+]C2)c1 ZINC001166956161 966482075 /nfs/dbraw/zinc/48/20/75/966482075.db2.gz ZMWIJQJPUFXMGT-LLVKDONJSA-N 2 0 234.347 1.193 20 0 BDADRP COc1cc[nH+]c(N2CC[C@H]([NH3+])C(F)(F)C2)c1 ZINC001166959246 966485731 /nfs/dbraw/zinc/48/57/31/966485731.db2.gz CNLONRQYNKFVPA-VIFPVBQESA-N 2 0 243.257 1.263 20 0 BDADRP C[N@@H+]1CCC2(C1)CC[NH+](C[C@H]1CCCO1)CC2 ZINC001276428035 966819328 /nfs/dbraw/zinc/81/93/28/966819328.db2.gz BBGFKZFZSDNXKI-CYBMUJFWSA-N 2 0 238.375 1.583 20 0 BDADRP CCC1(Nc2ccc([C@H](C)[NH3+])nc2)C[NH2+]C1 ZINC001168586634 966942465 /nfs/dbraw/zinc/94/24/65/966942465.db2.gz KLZYYQXXJOQMQX-VIFPVBQESA-N 2 0 220.320 1.265 20 0 BDADRP CCc1cc(NC2(CC)C[NH2+]C2)cc[nH+]1 ZINC001168586849 966943928 /nfs/dbraw/zinc/94/39/28/966943928.db2.gz LZRDFEOECXYUFC-UHFFFAOYSA-N 2 0 205.305 1.230 20 0 BDADRP OCCCCC[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204727789 967138381 /nfs/dbraw/zinc/13/83/81/967138381.db2.gz PFMBACUAUHBFSS-UHFFFAOYSA-N 2 0 240.391 1.615 20 0 BDADRP C[C@H](C[NH+]1CCC(C[NH3+])CC1)C(F)(F)F ZINC001205026150 967142260 /nfs/dbraw/zinc/14/22/60/967142260.db2.gz LGTRQLMJQIEVRV-MRVPVSSYSA-N 2 0 224.270 1.856 20 0 BDADRP C[C@]1([NH3+])CC[N@H+](CC2CCSCC2)C1 ZINC001204763955 967151438 /nfs/dbraw/zinc/15/14/38/967151438.db2.gz ULSMQEBIMWFRFY-NSHDSACASA-N 2 0 214.378 1.553 20 0 BDADRP C[C@@H]1CC[C@H](N[C@H]2CCC[C@@H]([NH+](C)C)C2)C[NH2+]1 ZINC000715554822 967155314 /nfs/dbraw/zinc/15/53/14/967155314.db2.gz YGNGVQOOYYPSIO-ZOBORPQBSA-N 2 0 239.407 1.589 20 0 BDADRP C[NH+](C)C1CCC([NH+]2CCC(=O)CC2)CC1 ZINC000715558701 967159240 /nfs/dbraw/zinc/15/92/40/967159240.db2.gz RATOQGKYYRYLLG-UHFFFAOYSA-N 2 0 224.348 1.524 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2CCC[C@H]([NH3+])C2)CC1 ZINC000715578846 967186405 /nfs/dbraw/zinc/18/64/05/967186405.db2.gz KMDUOGHTPNHARI-HIFPTAJRSA-N 2 0 225.380 1.282 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2CCC[C@@H]([NH3+])C2)CC1 ZINC000715578847 967189593 /nfs/dbraw/zinc/18/95/93/967189593.db2.gz KMDUOGHTPNHARI-PNESKVBLSA-N 2 0 225.380 1.282 20 0 BDADRP COC(=O)CCC[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715584867 967195437 /nfs/dbraw/zinc/19/54/37/967195437.db2.gz RYZPTDKMVLUYHW-UHFFFAOYSA-N 2 0 242.363 1.402 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCC(=O)[C@@H]2CCCC[C@@H]21 ZINC001204847543 967195419 /nfs/dbraw/zinc/19/54/19/967195419.db2.gz CGGYHVKUNCJOGB-NEPJUHHUSA-N 2 0 224.348 1.559 20 0 BDADRP C[NH+](C)C1CCC([NH2+]Cc2cnco2)CC1 ZINC000715582303 967196190 /nfs/dbraw/zinc/19/61/90/967196190.db2.gz ZEIQBAHXUNJHHA-UHFFFAOYSA-N 2 0 223.320 1.637 20 0 BDADRP COc1cccnc1C[NH+]1CCC(C[NH3+])CC1 ZINC001205033510 967222589 /nfs/dbraw/zinc/22/25/89/967222589.db2.gz IZEONPWCUHKVKK-UHFFFAOYSA-N 2 0 235.331 1.261 20 0 BDADRP C[C@@H]1CC[N@H+](CC2CC[NH+](C)CC2)[C@H]1CO ZINC000691346672 967238318 /nfs/dbraw/zinc/23/83/18/967238318.db2.gz CUHRLPIXKFBTLH-YPMHNXCESA-N 2 0 226.364 1.031 20 0 BDADRP C[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)CC[C@@H]1O ZINC000691350816 967262646 /nfs/dbraw/zinc/26/26/46/967262646.db2.gz QTKXDFXUDDVWTL-YPMHNXCESA-N 2 0 226.364 1.031 20 0 BDADRP C[NH2+]C[C@H]1CCCN(CC[C@@H]2CCCC[NH2+]2)C1 ZINC001205000903 967281434 /nfs/dbraw/zinc/28/14/34/967281434.db2.gz MOIHWQXTDBFSLV-KGLIPLIRSA-N 2 0 239.407 1.450 20 0 BDADRP [NH3+]CC1CC[NH+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC001205025695 967292887 /nfs/dbraw/zinc/29/28/87/967292887.db2.gz CVKFGCQBTSLZRL-MJBXVCDLSA-N 2 0 220.360 1.869 20 0 BDADRP C[NH+]1CCC(C)(C[NH+]2CCC(C[NH3+])CC2)CC1 ZINC001205026781 967296365 /nfs/dbraw/zinc/29/63/65/967296365.db2.gz ZGHLTLOXCDFFFF-UHFFFAOYSA-N 3 0 239.407 1.389 20 0 BDADRP Cc1ccnc(C[NH+]2CCC(C[NH3+])CC2)c1 ZINC001205033402 967297084 /nfs/dbraw/zinc/29/70/84/967297084.db2.gz FQRKKOXAQJSJMZ-UHFFFAOYSA-N 2 0 219.332 1.561 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2ccc(F)nc2)CC1 ZINC001205033944 967297688 /nfs/dbraw/zinc/29/76/88/967297688.db2.gz XZVWLBYZHSNJHE-UHFFFAOYSA-N 2 0 223.295 1.391 20 0 BDADRP [NH3+][C@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC001205093477 967339643 /nfs/dbraw/zinc/33/96/43/967339643.db2.gz AYJORKNJHDAPOC-STQMWFEESA-N 3 0 225.380 1.189 20 0 BDADRP C[NH+]1CCC(CC[N@@H+]2CCC[C@H]([NH3+])CC2)CC1 ZINC001205094857 967342179 /nfs/dbraw/zinc/34/21/79/967342179.db2.gz RGXQIAXDUVOXPO-AWEZNQCLSA-N 3 0 239.407 1.532 20 0 BDADRP [NH3+][C@@H]1CCC[N@H+](Cc2cccc3c2NCC3)CC1 ZINC001205123960 967371658 /nfs/dbraw/zinc/37/16/58/967371658.db2.gz HUAVJBFXCGTZCQ-CQSZACIVSA-N 2 0 245.370 1.968 20 0 BDADRP Cc1c[nH]c(=O)c(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205146110 967387679 /nfs/dbraw/zinc/38/76/79/967387679.db2.gz OSPSJSQJILKTQD-CMPLNLGQSA-N 2 0 235.331 1.122 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1CC1C[C@@H](C)O[C@H](C)C1 ZINC001205177141 967410507 /nfs/dbraw/zinc/41/05/07/967410507.db2.gz AIOMVYSEDCIMTE-PRULPYPASA-N 2 0 226.364 1.612 20 0 BDADRP Cc1cccnc1C[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205209784 967431064 /nfs/dbraw/zinc/43/10/64/967431064.db2.gz LECZKNBCXKZGBL-AWEZNQCLSA-N 2 0 249.358 1.066 20 0 BDADRP Cc1ncccc1C[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205221693 967431073 /nfs/dbraw/zinc/43/10/73/967431073.db2.gz WJSCNDGRNZCFEX-AWEZNQCLSA-N 2 0 249.358 1.066 20 0 BDADRP C[C@]1([NH3+])CCC[N@H+](CC2(F)CC[NH2+]CC2)CC1 ZINC001205256092 967445925 /nfs/dbraw/zinc/44/59/25/967445925.db2.gz MWLCSUJGBAYYFB-LBPRGKRZSA-N 3 0 243.370 1.281 20 0 BDADRP C[C@]1([NH3+])CCCN(C[C@H]2CCCC[NH2+]2)CC1 ZINC001205257147 967448108 /nfs/dbraw/zinc/44/81/08/967448108.db2.gz SQUGFOAKIPEXMC-OLZOCXBDSA-N 2 0 225.380 1.332 20 0 BDADRP C[NH+](C)CCC1=CC[C@H]([NH+]2CCOCC2)CC1 ZINC001250162014 967456670 /nfs/dbraw/zinc/45/66/70/967456670.db2.gz IBRMSWQRJXYFJQ-AWEZNQCLSA-N 2 0 238.375 1.749 20 0 BDADRP C[C@]1([NH3+])CCC[N@H+](Cc2ccccn2)CC1 ZINC001205265288 967458894 /nfs/dbraw/zinc/45/88/94/967458894.db2.gz PNAIZTNKCGXGIU-ZDUSSCGKSA-N 2 0 219.332 1.785 20 0 BDADRP CC1(C)[NH2+]C[C@@H](CN2CCC(C)(F)CC2)O1 ZINC001205316433 967521180 /nfs/dbraw/zinc/52/11/80/967521180.db2.gz IXECEICDWWSSGS-JTQLQIEISA-N 2 0 230.327 1.535 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2c[nH]c3ncncc23)CC1 ZINC001205046739 967602595 /nfs/dbraw/zinc/60/25/95/967602595.db2.gz LBCGCELAWUBURG-UHFFFAOYSA-N 2 0 245.330 1.080 20 0 BDADRP C[C@@H]1CC[N@H+](CCCCCO)CC[C@@H]1C[NH3+] ZINC001205603529 967718838 /nfs/dbraw/zinc/71/88/38/967718838.db2.gz PWMOZICGUBMEPM-CHWSQXEVSA-N 2 0 228.380 1.456 20 0 BDADRP C[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)CC[C@H]1C[NH3+] ZINC001205603589 967721141 /nfs/dbraw/zinc/72/11/41/967721141.db2.gz QPPVIVSCBJDSBY-OCCSQVGLSA-N 3 0 239.407 1.293 20 0 BDADRP Cc1cnc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cn1 ZINC001205617765 967727520 /nfs/dbraw/zinc/72/75/20/967727520.db2.gz NHJNAIQCYOVYRD-YPMHNXCESA-N 2 0 248.374 1.592 20 0 BDADRP Cc1ncncc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205652531 967744055 /nfs/dbraw/zinc/74/40/55/967744055.db2.gz PYLJFTABMZEPKD-WCQYABFASA-N 2 0 248.374 1.592 20 0 BDADRP C[C@@H]1CCC[C@H](C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)O1 ZINC000701568303 967815139 /nfs/dbraw/zinc/81/51/39/967815139.db2.gz MQAHWKGYPPHVMI-NDBYEHHHSA-N 2 0 238.375 1.804 20 0 BDADRP [NH3+]Cc1cccc(N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC001162395383 967826300 /nfs/dbraw/zinc/82/63/00/967826300.db2.gz CJQQYLNJXZGRKR-WCQYABFASA-N 2 0 219.332 1.827 20 0 BDADRP C[C@@H]1CC[C@H](C[NH3+])N(C[C@H]2CCCC[NH2+]2)C1 ZINC001205806655 967831183 /nfs/dbraw/zinc/83/11/83/967831183.db2.gz VAGSKUDPQATUQQ-JHJVBQTASA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@H]1CCN(CCCCCC[NH3+])C[C@@H]1[NH3+] ZINC001205863502 967863626 /nfs/dbraw/zinc/86/36/26/967863626.db2.gz YZSHCTZCAYIVMF-NEPJUHHUSA-N 2 0 213.369 1.175 20 0 BDADRP COC1CC(C[N@@H+]2CC[C@H](CC[NH3+])C2)C1 ZINC000703853874 967877119 /nfs/dbraw/zinc/87/71/19/967877119.db2.gz RDSLMQGQDJRYDA-UNXYVOJBSA-N 2 0 212.337 1.082 20 0 BDADRP [NH3+]Cc1ccc(CN2CCCC[C@H]([NH3+])C2)cc1 ZINC001205932021 967890261 /nfs/dbraw/zinc/89/02/61/967890261.db2.gz NJLJHNSLCUNNLY-AWEZNQCLSA-N 2 0 233.359 1.459 20 0 BDADRP CC[C@H](O)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000124531126 967899157 /nfs/dbraw/zinc/89/91/57/967899157.db2.gz AGWBDNLTYPQQDE-AWEZNQCLSA-N 2 0 249.358 1.411 20 0 BDADRP CC[C@H](N)C[N@@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205981757 967923635 /nfs/dbraw/zinc/92/36/35/967923635.db2.gz GSROHKQVZDAJFK-TUAOUCFPSA-N 2 0 213.369 1.031 20 0 BDADRP CCOC(=O)CC[N@@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205981128 967926382 /nfs/dbraw/zinc/92/63/82/967926382.db2.gz BSWDEGZICNXRCN-VXGBXAGGSA-N 2 0 242.363 1.246 20 0 BDADRP COCOCCC[N@@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205983087 967928365 /nfs/dbraw/zinc/92/83/65/967928365.db2.gz NQYKWOUKQVLNAG-OLZOCXBDSA-N 2 0 244.379 1.304 20 0 BDADRP C[C@H]1C[N@H+](CCCCCC[NH3+])CCC[C@@H]1C[NH3+] ZINC001205985663 967940428 /nfs/dbraw/zinc/94/04/28/967940428.db2.gz ZKONAMMIJGWNKW-UONOGXRCSA-N 3 0 241.423 1.812 20 0 BDADRP C[C@H]1C[N@H+](Cc2ncccc2[O-])CCC[C@H]1C[NH3+] ZINC001205992595 967943771 /nfs/dbraw/zinc/94/37/71/967943771.db2.gz FPFBQOLPXOQBMA-RYUDHWBXSA-N 2 0 249.358 1.594 20 0 BDADRP C[C@H]1C[N@H+](Cc2cscn2)CCC[C@@H]1C[NH3+] ZINC001205995543 967951962 /nfs/dbraw/zinc/95/19/62/967951962.db2.gz OYJFJGSWKDXUAG-WDEREUQCSA-N 2 0 239.388 1.950 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cscn2)CCC[C@@H]1C[NH3+] ZINC001205995540 967953874 /nfs/dbraw/zinc/95/38/74/967953874.db2.gz OYJFJGSWKDXUAG-GHMZBOCLSA-N 2 0 239.388 1.950 20 0 BDADRP Cc1cnc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)nc1 ZINC001206022751 967985150 /nfs/dbraw/zinc/98/51/50/967985150.db2.gz CQDDKIQJBIVOAW-QWHCGFSZSA-N 2 0 248.374 1.592 20 0 BDADRP [NH3+][C@H]1CN(CC[C@@H]2CCCC[NH2+]2)CC(F)(F)C1 ZINC001206117119 968068289 /nfs/dbraw/zinc/06/82/89/968068289.db2.gz JKLCJCCCZRSIBN-MNOVXSKESA-N 2 0 247.333 1.187 20 0 BDADRP CN(CC[NH+](C)C)c1cc2[nH]ccc2c[nH+]1 ZINC001163590227 968078455 /nfs/dbraw/zinc/07/84/55/968078455.db2.gz WRBWDDYPZDSAKE-UHFFFAOYSA-N 2 0 218.304 1.561 20 0 BDADRP C[NH+](C)CC(C)(C)CNc1ncc2cc[nH]c2n1 ZINC001168763475 968080270 /nfs/dbraw/zinc/08/02/70/968080270.db2.gz JXOFUQMLXLDHHM-UHFFFAOYSA-N 2 0 247.346 1.909 20 0 BDADRP [NH3+][C@@H]1CCN(Cc2cccc(=O)[nH]2)CC[C@@H]1F ZINC001206167318 968102700 /nfs/dbraw/zinc/10/27/00/968102700.db2.gz YGLQCUKUPGHQAN-WDEREUQCSA-N 2 0 239.294 1.048 20 0 BDADRP [NH3+][C@H]1CCN(Cc2cccc(=O)[nH]2)CC[C@@H]1F ZINC001206167317 968103438 /nfs/dbraw/zinc/10/34/38/968103438.db2.gz YGLQCUKUPGHQAN-QWRGUYRKSA-N 2 0 239.294 1.048 20 0 BDADRP CC[C@@H](N)C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206292472 968203709 /nfs/dbraw/zinc/20/37/09/968203709.db2.gz BNOCSKNLORPQQW-NEPJUHHUSA-N 2 0 213.369 1.175 20 0 BDADRP C[N@@H+]1CCC[C@H](OCC[NH+]2CCCC2)CC1 ZINC001206302239 968210552 /nfs/dbraw/zinc/21/05/52/968210552.db2.gz GOWNJGFOJCYAPY-ZDUSSCGKSA-N 2 0 226.364 1.583 20 0 BDADRP [NH3+][C@H]1CCN(c2cc[nH+]cc2C(F)(F)F)C1 ZINC001164281851 968211884 /nfs/dbraw/zinc/21/18/84/968211884.db2.gz PDFXELZCDAZSFQ-ZETCQYMHSA-N 2 0 231.221 1.638 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cnccn2)CC1 ZINC001206305417 968213694 /nfs/dbraw/zinc/21/36/94/968213694.db2.gz YVLFTFLZZPTSPV-CYBMUJFWSA-N 2 0 234.347 1.428 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2ccnnc2)CC1 ZINC001206311916 968218220 /nfs/dbraw/zinc/21/82/20/968218220.db2.gz WTRCFSULTBWGRE-ZDUSSCGKSA-N 2 0 234.347 1.428 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2cccnc2N)CC1 ZINC001206318917 968225306 /nfs/dbraw/zinc/22/53/06/968225306.db2.gz VDDGKTXACXVMDS-AWEZNQCLSA-N 2 0 248.374 1.615 20 0 BDADRP NC[C@@]1(F)CCCC[N@H+](CCCCC[NH3+])C1 ZINC001206336136 968237517 /nfs/dbraw/zinc/23/75/17/968237517.db2.gz KBIFGALCYCIETP-LBPRGKRZSA-N 2 0 231.359 1.268 20 0 BDADRP CC1(C[N@@H+]2CCCC[C@](F)(CN)C2)COC1 ZINC001206334933 968239926 /nfs/dbraw/zinc/23/99/26/968239926.db2.gz AYQQTIKXEFPTKC-LBPRGKRZSA-N 2 0 230.327 1.176 20 0 BDADRP [NH3+]CCCC[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC001331820941 968244652 /nfs/dbraw/zinc/24/46/52/968244652.db2.gz KNVICRRPQUYRMK-VWYCJHECSA-N 2 0 246.445 1.695 20 0 BDADRP CCN1CCC[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC001206472328 968331384 /nfs/dbraw/zinc/33/13/84/968331384.db2.gz VHDWYPMWTLXYOE-MCIONIFRSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@]1(C[NH3+])CCCC[N@H+](CCCCCO)C1 ZINC001206541895 968365979 /nfs/dbraw/zinc/36/59/79/968365979.db2.gz MUBIQZPAKXGCBX-CYBMUJFWSA-N 2 0 228.380 1.600 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCc2cc(CO)ccc2C1 ZINC001206581518 968398004 /nfs/dbraw/zinc/39/80/04/968398004.db2.gz JVTRXBUBUDEMLZ-UHFFFAOYSA-N 2 0 234.343 1.276 20 0 BDADRP [NH3+]Cc1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cc1 ZINC001206623357 968423934 /nfs/dbraw/zinc/42/39/34/968423934.db2.gz LHGWKRLXGXSMDV-HNNXBMFYSA-N 3 0 247.386 1.706 20 0 BDADRP CCCC[C@@H](O)C[N@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001252096455 968578474 /nfs/dbraw/zinc/57/84/74/968578474.db2.gz CCGDDXIOIIEQIY-HZSPNIEDSA-N 2 0 240.391 1.421 20 0 BDADRP C[n+]1cccc(NCC(C)(C)C[NH+](C)C)c1 ZINC001168769050 968594091 /nfs/dbraw/zinc/59/40/91/968594091.db2.gz LDYQWRFFJOWCLY-UHFFFAOYSA-N 2 0 222.356 1.511 20 0 BDADRP CC(C)(O)C[NH2+]C1CC[NH+](CC2CCC2)CC1 ZINC001252369865 968651819 /nfs/dbraw/zinc/65/18/19/968651819.db2.gz DECOCQFDDRQVKR-UHFFFAOYSA-N 2 0 240.391 1.611 20 0 BDADRP CCC[C@H](CCO)[NH2+]CC1CC[NH+](CC)CC1 ZINC001207142014 968653540 /nfs/dbraw/zinc/65/35/40/968653540.db2.gz OJLAPDBXKXQPGF-CQSZACIVSA-N 2 0 242.407 1.859 20 0 BDADRP C[C@H]1C[C@H]1C[N@@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205985639 968667476 /nfs/dbraw/zinc/66/74/76/968667476.db2.gz ZCKLESAVYSESNO-LOWDOPEQSA-N 2 0 210.365 1.949 20 0 BDADRP C[NH+](C)CC(C)(C)C[N@@H+]1CC[C@@H](O)[C@H](F)CC1 ZINC001207274715 968700777 /nfs/dbraw/zinc/70/07/77/968700777.db2.gz FJLCZCPNSISUBX-VXGBXAGGSA-N 2 0 246.370 1.369 20 0 BDADRP CCC1(O)CC[NH+](CC(C)(C)C[NH+](C)C)CC1 ZINC001207281980 968712243 /nfs/dbraw/zinc/71/22/43/968712243.db2.gz ATYXYXXJUMQXBT-UHFFFAOYSA-N 2 0 242.407 1.811 20 0 BDADRP C[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)CCC[C@@H]1O ZINC001207391324 968745090 /nfs/dbraw/zinc/74/50/90/968745090.db2.gz FBFZXBUJZLSWGW-OCCSQVGLSA-N 2 0 240.391 1.421 20 0 BDADRP C[C@@H]1CC[N@H+](CC2CC[NH+](C)CC2)C[C@@]1(C)O ZINC001207395565 968750733 /nfs/dbraw/zinc/75/07/33/968750733.db2.gz VJPDLGMRMGPNQC-TZMCWYRMSA-N 2 0 240.391 1.421 20 0 BDADRP C[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)CC[C@]1(C)O ZINC001207393930 968752921 /nfs/dbraw/zinc/75/29/21/968752921.db2.gz FUGJLWGNYLFPGD-OCCSQVGLSA-N 2 0 240.391 1.421 20 0 BDADRP C(C1CC[NH2+]CC1)[N@H+]1[C@@H]2CCC[C@H]1COC2 ZINC001207439011 968754450 /nfs/dbraw/zinc/75/44/50/968754450.db2.gz HRMUYKRUHBCTAO-BETUJISGSA-N 2 0 224.348 1.239 20 0 BDADRP C[NH+]1CCC(CCN2CCC23COC3)CC1 ZINC001207484804 968789473 /nfs/dbraw/zinc/78/94/73/968789473.db2.gz NMAOEIMTURQCBJ-UHFFFAOYSA-N 2 0 224.348 1.193 20 0 BDADRP C[N@H+](CCC1CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC001207487978 968801805 /nfs/dbraw/zinc/80/18/05/968801805.db2.gz ANIJVWLHWQZEPV-CQSZACIVSA-N 2 0 240.391 1.829 20 0 BDADRP C[NH+]1CCC2(C[NH+](CC3(C)COC3)C2)CC1 ZINC001207801817 968889175 /nfs/dbraw/zinc/88/91/75/968889175.db2.gz VXBMXEGDMNFKBC-UHFFFAOYSA-N 2 0 224.348 1.051 20 0 BDADRP CC[NH+]1C[C@@H]2C[NH+](CCCn3cccn3)C[C@H]2C1 ZINC001208086118 968989802 /nfs/dbraw/zinc/98/98/02/968989802.db2.gz FOSWGNPBFVEQGQ-ZIAGYGMSSA-N 2 0 248.374 1.157 20 0 BDADRP C[C@@H]1CC[N@H+](CC2(C)CC[NH+](C)CC2)C[C@@H]1O ZINC001208105738 969002688 /nfs/dbraw/zinc/00/26/88/969002688.db2.gz BEMXSTPROZBCHE-OLZOCXBDSA-N 2 0 240.391 1.421 20 0 BDADRP C[N@H+](Cc1cnccn1)CC1(C)CC[NH+](C)CC1 ZINC001208112850 969006042 /nfs/dbraw/zinc/00/60/42/969006042.db2.gz BKHLGCCLJSXZBM-UHFFFAOYSA-N 2 0 248.374 1.640 20 0 BDADRP C[N@H+](CC1(C)CC[NH+](C)CC1)[C@H]1CCOC1 ZINC001208114195 969006071 /nfs/dbraw/zinc/00/60/71/969006071.db2.gz TXCJPPMDDHVIOE-LBPRGKRZSA-N 2 0 226.364 1.439 20 0 BDADRP C[C@H]([NH3+])c1ccc(-c2cnn(C3C[NH2+]C3)c2)cn1 ZINC001241620414 969073758 /nfs/dbraw/zinc/07/37/58/969073758.db2.gz MGGGBLWCJUSADZ-VIFPVBQESA-N 2 0 243.314 1.109 20 0 BDADRP C[NH+](C)CC1(C[N@@H+]2CCC[C@@H]2CO)CCCC1 ZINC001208185054 969115934 /nfs/dbraw/zinc/11/59/34/969115934.db2.gz UZRFMXHJFOOAAS-CYBMUJFWSA-N 2 0 240.391 1.565 20 0 BDADRP C[C@H]1CCCC[C@H]1[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253384331 969145610 /nfs/dbraw/zinc/14/56/10/969145610.db2.gz PATJJRWAFVTTBS-RWMBFGLXSA-N 2 0 242.407 1.904 20 0 BDADRP CC[NH+]1CCC(C[NH+]2CC(C)(OC)C2)CC1 ZINC001208592471 969148983 /nfs/dbraw/zinc/14/89/83/969148983.db2.gz IYWOFACTNNSIKZ-UHFFFAOYSA-N 2 0 226.364 1.439 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CC[C@@H](CO)[C@H]2C)CC1 ZINC001208593539 969152592 /nfs/dbraw/zinc/15/25/92/969152592.db2.gz VYIUBMOARLKUTG-OCCSQVGLSA-N 2 0 240.391 1.421 20 0 BDADRP CC[N@@H+]1CCCN(C[C@@H]2CCC[NH+](C)C2)CC1 ZINC001208603289 969155880 /nfs/dbraw/zinc/15/58/80/969155880.db2.gz AEEMDKRYQWPTTI-CQSZACIVSA-N 2 0 239.407 1.356 20 0 BDADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@H]1C=CCCC1 ZINC001253410309 969167203 /nfs/dbraw/zinc/16/72/03/969167203.db2.gz GBESWZGHKUYGTO-RYUDHWBXSA-N 2 0 226.364 1.434 20 0 BDADRP CCC[C@H](C[NH2+]CCC[NH+]1CCCC1)OC ZINC000382008795 969168941 /nfs/dbraw/zinc/16/89/41/969168941.db2.gz CDFDZKXKEQOYEL-CYBMUJFWSA-N 2 0 228.380 1.877 20 0 BDADRP C[N@@H+]1CC[C@H](CNC2CC[NH+](C3CC3)CC2)C1 ZINC000383744442 969183312 /nfs/dbraw/zinc/18/33/12/969183312.db2.gz ITVYXDVWLLOIJK-GFCCVEGCSA-N 2 0 237.391 1.155 20 0 BDADRP CN(C)c1cc(NC2=CC[N@H+](C)CC2)cc[nH+]1 ZINC001208793493 969237918 /nfs/dbraw/zinc/23/79/18/969237918.db2.gz HDCAXCOATLFJLH-UHFFFAOYSA-N 2 0 232.331 1.779 20 0 BDADRP C[NH+]1CCC2(C[NH+](C[C@@H]3CCC=CO3)C2)CC1 ZINC001208881707 969267496 /nfs/dbraw/zinc/26/74/96/969267496.db2.gz DSFOJCNGVQPUCR-ZDUSSCGKSA-N 2 0 236.359 1.707 20 0 BDADRP Cc1cnc(C[NH3+])n1-c1ccc(C[NH+](C)C)cn1 ZINC001169028667 969347405 /nfs/dbraw/zinc/34/74/05/969347405.db2.gz RKDXUGDMQHBARJ-UHFFFAOYSA-N 2 0 245.330 1.096 20 0 BDADRP C[C@H]1C[N@H+](Cc2ncccc2N)CCC[C@@H]1C[NH3+] ZINC001205996340 969363634 /nfs/dbraw/zinc/36/36/34/969363634.db2.gz WHLZSCXOBOQNTO-NWDGAFQWSA-N 2 0 248.374 1.471 20 0 BDADRP C[NH+]1[C@@H]2CC[C@H]1C[C@H](NC[C@H]1CCC[N@H+]1C)C2 ZINC001169094064 969383003 /nfs/dbraw/zinc/38/30/03/969383003.db2.gz KPVJYQLYUFYEDH-YIYPIFLZSA-N 2 0 237.391 1.295 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1CCC[C@H]([NH3+])C1)C2 ZINC001169095305 969385824 /nfs/dbraw/zinc/38/58/24/969385824.db2.gz OZIIYFKESFVPLC-VJTDZRGJSA-N 2 0 237.391 1.471 20 0 BDADRP CN1CCC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169095721 969386534 /nfs/dbraw/zinc/38/65/34/969386534.db2.gz SBEMULHCOIGAJT-FQUUOJAGSA-N 2 0 237.391 1.295 20 0 BDADRP C[C@H]([NH3+])c1ccn([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC001169100525 969392149 /nfs/dbraw/zinc/39/21/49/969392149.db2.gz KNUCYECRLRXNEO-NNYUYHANSA-N 2 0 234.347 1.701 20 0 BDADRP COC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)C ZINC001169079139 969398921 /nfs/dbraw/zinc/39/89/21/969398921.db2.gz JBVYLZGLLCQPLO-XJFOESAGSA-N 2 0 240.391 1.872 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC1CC[NH+](C)CC1)C2 ZINC001169077845 969400306 /nfs/dbraw/zinc/40/03/06/969400306.db2.gz AHECJUAQIHJTQC-BTTYYORXSA-N 2 0 237.391 1.295 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CC(F)C1)C2 ZINC001169079234 969400516 /nfs/dbraw/zinc/40/05/16/969400516.db2.gz KEAUYRUCIFTINA-XMCLCESHSA-N 2 0 212.312 1.702 20 0 BDADRP CC[NH+](CC)CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169082361 969403158 /nfs/dbraw/zinc/40/31/58/969403158.db2.gz YTBQUDKQJFNFCH-ZSOGYDGISA-N 2 0 239.407 1.543 20 0 BDADRP C[NH+](C)CCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169080402 969404908 /nfs/dbraw/zinc/40/49/08/969404908.db2.gz NDXVBZKVEVGYFH-XYYAHUGASA-N 2 0 225.380 1.153 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](n1ccc(CC[NH3+])n1)C2 ZINC001169091254 969408207 /nfs/dbraw/zinc/40/82/07/969408207.db2.gz PZOWIOLGTHTPAO-CLLJXQQHSA-N 2 0 234.347 1.182 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCCOC1)C2 ZINC001169092264 969411903 /nfs/dbraw/zinc/41/19/03/969411903.db2.gz AXVDXSJFWAVAJL-FVCCEPFGSA-N 2 0 224.348 1.380 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1ncc3c1CC[NH2+]C3)C2 ZINC001169124866 969425338 /nfs/dbraw/zinc/42/53/38/969425338.db2.gz FSPQELAGOHUGBR-ITGUQSILSA-N 2 0 246.358 1.327 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[NH+](C3CC3)CC1)C2 ZINC001169125608 969427687 /nfs/dbraw/zinc/42/76/87/969427687.db2.gz JSNJQUFESMVRAQ-QDMKHBRRSA-N 2 0 249.402 1.392 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[NH+](C)CC1)C2 ZINC001169126967 969431947 /nfs/dbraw/zinc/43/19/47/969431947.db2.gz YMMGWKLXAQZHFA-BTTYYORXSA-N 2 0 237.391 1.249 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@H]3OCC[C@H]31)C2 ZINC001169129222 969440623 /nfs/dbraw/zinc/44/06/23/969440623.db2.gz IOSOBCMVDFKETL-MBJXGIAVSA-N 2 0 236.359 1.475 20 0 BDADRP COC(=O)C[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169109045 969447161 /nfs/dbraw/zinc/44/71/61/969447161.db2.gz HBRKLHSCNUHNKV-KKOKHZNYSA-N 2 0 240.347 1.153 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1COC(C)(C)C1)C2 ZINC001169112681 969458035 /nfs/dbraw/zinc/45/80/35/969458035.db2.gz RQXKNYCOWZQRBD-RVMXOQNASA-N 2 0 238.375 1.769 20 0 BDADRP C[C@H]1C[C@H]1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001209411100 969476033 /nfs/dbraw/zinc/47/60/33/969476033.db2.gz BCFFMRLBYSCAIF-RNJOBUHISA-N 2 0 208.349 1.526 20 0 BDADRP CC[NH+]1CCC(n2ccnc2[C@H](C)[NH3+])CC1 ZINC001169219591 969487325 /nfs/dbraw/zinc/48/73/25/969487325.db2.gz GBZGQWXQDFBVMC-JTQLQIEISA-N 2 0 222.336 1.560 20 0 BDADRP CC[NH+]1CCC(N(CC[NH3+])c2cccnc2)CC1 ZINC001169231174 969503512 /nfs/dbraw/zinc/50/35/12/969503512.db2.gz UICJHXXSXSOWGC-UHFFFAOYSA-N 2 0 248.374 1.331 20 0 BDADRP CC[NH+]1CCC(N2CC[NH+]3CCC2CC3)CC1 ZINC001169265654 969522560 /nfs/dbraw/zinc/52/25/60/969522560.db2.gz OJTUYUBGIXVLOC-UHFFFAOYSA-N 2 0 237.391 1.251 20 0 BDADRP CCN1CCC([N@@H+]2CC[C@]23CCOC3)CC1 ZINC001169265442 969525361 /nfs/dbraw/zinc/52/53/61/969525361.db2.gz XBMDWBQCTHXNBH-CYBMUJFWSA-N 2 0 224.348 1.336 20 0 BDADRP CC[N@@H+]1CCCN(Cc2c[nH+]ccc2N)CC1 ZINC001209727775 969578318 /nfs/dbraw/zinc/57/83/18/969578318.db2.gz NCZNRWAQHCSDPU-UHFFFAOYSA-N 2 0 234.347 1.022 20 0 BDADRP CC(C)([NH3+])C(C)(C)[NH2+][C@H]1CCCOC1 ZINC001254369510 969580871 /nfs/dbraw/zinc/58/08/71/969580871.db2.gz IBBAVDAMHMJISB-VIFPVBQESA-N 2 0 200.326 1.271 20 0 BDADRP C[NH+](C)CC1CC[NH+](Cc2cnccn2)CC1 ZINC001209782229 969616162 /nfs/dbraw/zinc/61/61/62/969616162.db2.gz XGEXEPCEYGLQSY-UHFFFAOYSA-N 2 0 234.347 1.250 20 0 BDADRP CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC001169457547 969658232 /nfs/dbraw/zinc/65/82/32/969658232.db2.gz RVPQSQJQNXTIDY-SDDRHHMPSA-N 2 0 241.379 1.103 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+]CCOc2ccccn2)CC1 ZINC001254505499 969673560 /nfs/dbraw/zinc/67/35/60/969673560.db2.gz HIXXIBHLYQTFLC-CYBMUJFWSA-N 2 0 249.358 1.534 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH+]2CC[C@@H]3CCO[C@H]3C2)CC1 ZINC001254518585 969699541 /nfs/dbraw/zinc/69/95/41/969699541.db2.gz CDOASDJQYBKVFI-MCIONIFRSA-N 2 0 238.375 1.582 20 0 BDADRP C[N@@H+]1CCC[C@@H](N2CC[NH+]3CCC[C@@H]3C2)CC1 ZINC001254522960 969708005 /nfs/dbraw/zinc/70/80/05/969708005.db2.gz LCMUDPQXVCYXAJ-ZIAGYGMSSA-N 2 0 237.391 1.251 20 0 BDADRP C[N@H+](CC1(C)COC1)[C@H]1CCC[NH+](C)CC1 ZINC001254523551 969710752 /nfs/dbraw/zinc/71/07/52/969710752.db2.gz PAKJQFCNRKIYPV-LBPRGKRZSA-N 2 0 226.364 1.439 20 0 BDADRP C[N@@H+]1CCC[C@H](N2CC[NH+]3CCC2CC3)CC1 ZINC001254525430 969719766 /nfs/dbraw/zinc/71/97/66/969719766.db2.gz IGTHRXMTFCJQEX-ZDUSSCGKSA-N 2 0 237.391 1.251 20 0 BDADRP C[N@H+](CCC1OCCO1)[C@H]1CCC[NH+](C)CC1 ZINC001254527412 969723249 /nfs/dbraw/zinc/72/32/49/969723249.db2.gz XULXHLITYZEGOZ-LBPRGKRZSA-N 2 0 242.363 1.166 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH+]2CCC[C@@H]2C(C)(C)O)CC1 ZINC001254529834 969726423 /nfs/dbraw/zinc/72/64/23/969726423.db2.gz RKWBQGLGVQHSEJ-CHWSQXEVSA-N 2 0 240.391 1.706 20 0 BDADRP Cc1ncn([C@H]2CC3CC[NH+](CC3)C2)c1CC[NH3+] ZINC001254834017 969797246 /nfs/dbraw/zinc/79/72/46/969797246.db2.gz ALQANFSJHXJKGD-ZDUSSCGKSA-N 2 0 248.374 1.350 20 0 BDADRP [NH3+]Cc1ccc(N[C@H]2CC3CC[NH+](CC3)C2)cn1 ZINC001254846194 969802790 /nfs/dbraw/zinc/80/27/90/969802790.db2.gz RWDTXEQPRLTTTQ-AWEZNQCLSA-N 2 0 246.358 1.437 20 0 BDADRP C[C@@H](C[NH3+])C[N@H+](C)[C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254937230 969823706 /nfs/dbraw/zinc/82/37/06/969823706.db2.gz ZVYUVJCYMOMBOX-NNYUYHANSA-N 2 0 224.348 1.271 20 0 BDADRP Cc1cc(-n2ccc(C[NH3+])c2)nc2c1C[NH2+]CC2 ZINC001169716388 969828641 /nfs/dbraw/zinc/82/86/41/969828641.db2.gz IJSDUEOZLTXUOU-UHFFFAOYSA-N 2 0 242.326 1.285 20 0 BDADRP C[NH+](C)CCCCC[NH2+]C1CCOCC1 ZINC001255030841 969845838 /nfs/dbraw/zinc/84/58/38/969845838.db2.gz RTVPKARMHPTEFH-UHFFFAOYSA-N 2 0 214.353 1.487 20 0 BDADRP C(C1CCC1)N1CC[C@H]([NH2+]C2CCOCC2)C1 ZINC001255035880 969857407 /nfs/dbraw/zinc/85/74/07/969857407.db2.gz NHTPIPYNDVXABR-AWEZNQCLSA-N 2 0 238.375 1.629 20 0 BDADRP C[NH+](C)CCC(C)(C)[NH2+]C1CCOCC1 ZINC001255033771 969857422 /nfs/dbraw/zinc/85/74/22/969857422.db2.gz ZJVGCFGWSJNVRE-UHFFFAOYSA-N 2 0 214.353 1.485 20 0 BDADRP Cc1c(N)cc[nH+]c1NCC12CC[NH+](CC1)CC2 ZINC001169794189 969862132 /nfs/dbraw/zinc/86/21/32/969862132.db2.gz GSPKFGMSUQXIJM-UHFFFAOYSA-N 2 0 246.358 1.870 20 0 BDADRP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](C1CCSCC1)C2 ZINC001255095345 969931835 /nfs/dbraw/zinc/93/18/35/969931835.db2.gz TZNRNABAKKVAIL-DGCLKSJQSA-N 2 0 240.416 1.766 20 0 BDADRP CC(C)(C[NH3+])N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001255098841 969935465 /nfs/dbraw/zinc/93/54/65/969935465.db2.gz HCWFBWZJYBHCAH-CQSZACIVSA-N 2 0 247.386 1.588 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]C1CC(C)(C)N(O)C(C)(C)C1 ZINC001169982457 969938492 /nfs/dbraw/zinc/93/84/92/969938492.db2.gz NHNGLRNHDDRQOX-SNVBAGLBSA-N 2 0 243.395 1.582 20 0 BDADRP CN(OCC[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001255103230 969938659 /nfs/dbraw/zinc/93/86/59/969938659.db2.gz VATMSUULABDQHC-CQSZACIVSA-N 2 0 249.358 1.083 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+]([C@H]3CCSC3)C2)C1 ZINC001255291721 970053518 /nfs/dbraw/zinc/05/35/18/970053518.db2.gz YCTUPOAODLFPAV-RYUDHWBXSA-N 2 0 226.389 1.520 20 0 BDADRP [NH3+][C@@H]1CCc2c1cccc2NC[C@H]1COCC[NH2+]1 ZINC001170048143 970083797 /nfs/dbraw/zinc/08/37/97/970083797.db2.gz VZSPLVRXBUJPKG-GXFFZTMASA-N 2 0 247.342 1.033 20 0 BDADRP CCCC[C@@H](C)[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001255329362 970108244 /nfs/dbraw/zinc/10/82/44/970108244.db2.gz KFLAOLINBITVTJ-CQSZACIVSA-N 2 0 241.423 1.744 20 0 BDADRP C[N@@H+]1CC[C@@H](N2CC[C@@H]([NH3+])c3ccccc32)C1 ZINC001255417303 970138671 /nfs/dbraw/zinc/13/86/71/970138671.db2.gz KCTBGKMRUIEZOZ-DGCLKSJQSA-N 2 0 231.343 1.601 20 0 BDADRP C[N@@H+]1CC[C@@H](n2ncc3c2cccc3C[NH3+])C1 ZINC001255417700 970140577 /nfs/dbraw/zinc/14/05/77/970140577.db2.gz OCVXJJZZFOQIQK-LLVKDONJSA-N 2 0 230.315 1.372 20 0 BDADRP CN1CC[C@@H]([NH2+][C@@H]2CCN(C3CCCC3)C2)C1 ZINC001255421815 970143845 /nfs/dbraw/zinc/14/38/45/970143845.db2.gz LIFKLNQBFVJANC-CHWSQXEVSA-N 2 0 237.391 1.297 20 0 BDADRP C[N@@H+]1CC[C@@H](n2c(C[NH3+])cc3ccncc32)C1 ZINC001255422158 970145637 /nfs/dbraw/zinc/14/56/37/970145637.db2.gz VJIYQDAEVUDUPO-LLVKDONJSA-N 2 0 230.315 1.372 20 0 BDADRP CC(C)[N@H+]([C@@H]1CCN(C)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255422638 970148344 /nfs/dbraw/zinc/14/83/44/970148344.db2.gz PFWDVBWMQUHNSG-MGPQQGTHSA-N 2 0 239.407 1.671 20 0 BDADRP C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC23CCCC3)C1 ZINC001255443547 970173519 /nfs/dbraw/zinc/17/35/19/970173519.db2.gz PKUJUHLHOCBVIC-CYBMUJFWSA-N 2 0 237.391 1.251 20 0 BDADRP Cn1c[nH+]cc1Nc1cnc2c(c1)C[N@@H+](C)CC2 ZINC001211246817 970192218 /nfs/dbraw/zinc/19/22/18/970192218.db2.gz SZUHXIJIWKBDQY-UHFFFAOYSA-N 2 0 243.314 1.547 20 0 BDADRP C[C@H]([NH3+])c1ccn([C@@H]2CCC[N@H+](C)C2)n1 ZINC001255471835 970192713 /nfs/dbraw/zinc/19/27/13/970192713.db2.gz HUYBLKQSSORFEY-VHSXEESVSA-N 2 0 208.309 1.170 20 0 BDADRP CN1CCC[C@@H]([NH2+]CC23CC[NH+](CC2)CC3)C1 ZINC001255471749 970202553 /nfs/dbraw/zinc/20/25/53/970202553.db2.gz GCJKWWPGCNXRIX-CYBMUJFWSA-N 2 0 237.391 1.156 20 0 BDADRP C[N@@H+]1CCC[C@H](n2c(C[NH3+])cc3ccncc32)C1 ZINC001255475065 970205924 /nfs/dbraw/zinc/20/59/24/970205924.db2.gz KWOWBUZOXFUTDY-LBPRGKRZSA-N 2 0 244.342 1.762 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)CN1[C@@H]1CCC[NH+](C)C1 ZINC001255484201 970230558 /nfs/dbraw/zinc/23/05/58/970230558.db2.gz WZNJIMMHVXXTMW-YNEHKIRRSA-N 2 0 225.380 1.105 20 0 BDADRP C[N@@H+]1CCC[C@H](N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001255487779 970235351 /nfs/dbraw/zinc/23/53/51/970235351.db2.gz VJWWTPFMBDANNO-ZDUSSCGKSA-N 2 0 239.407 1.497 20 0 BDADRP CN(C)c1cc[nH+]c(NC2(C)CC[NH2+]CC2)c1 ZINC001157401948 970247719 /nfs/dbraw/zinc/24/77/19/970247719.db2.gz YZSBUYGYZPCFLV-UHFFFAOYSA-N 2 0 234.347 1.702 20 0 BDADRP C[N@@H+]1CC[C@@]2(CCN([C@H]3CCC[NH+](C)C3)C2)C1 ZINC001255492626 970249955 /nfs/dbraw/zinc/24/99/55/970249955.db2.gz IYUAJWMTJZESDD-UONOGXRCSA-N 2 0 237.391 1.108 20 0 BDADRP CC[N@@H+]1CCN([C@H]2CCC[NH+](C)C2)C[C@H]1C ZINC001255493277 970257237 /nfs/dbraw/zinc/25/72/37/970257237.db2.gz AYWGDIRFDWIRLR-OLZOCXBDSA-N 2 0 225.380 1.107 20 0 BDADRP [NH3+][C@H]1CCN(Cc2cccc(C3=CC[NH2+]C3)c2)C1 ZINC001243110755 970353655 /nfs/dbraw/zinc/35/36/55/970353655.db2.gz FENQBKCYBIBFBG-HNNXBMFYSA-N 2 0 243.354 1.206 20 0 BDADRP COC[C@@H](C)[NH+]1CCC([NH3+])(c2ccccc2)CC1 ZINC001255565549 970353689 /nfs/dbraw/zinc/35/36/89/970353689.db2.gz SWICXMWWPGNTKH-CYBMUJFWSA-N 2 0 248.370 1.971 20 0 BDADRP COCC1C[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001255673841 970452026 /nfs/dbraw/zinc/45/20/26/970452026.db2.gz GEZMUHHDYDUZSZ-PBWFPOADSA-N 2 0 238.375 1.580 20 0 BDADRP C[C@@H]1CC[C@@H]([N@H+](C)CCN2CC[NH+](C)CC2)C1 ZINC001170151704 970460049 /nfs/dbraw/zinc/46/00/49/970460049.db2.gz RQWIVSVMXOAUJZ-ZIAGYGMSSA-N 2 0 239.407 1.354 20 0 BDADRP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC[NH2+]CC1 ZINC001276709737 970476111 /nfs/dbraw/zinc/47/61/11/970476111.db2.gz PAQAIYFUTZFXCY-AGUYFDCRSA-N 3 0 237.391 1.201 20 0 BDADRP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000400011737 970538034 /nfs/dbraw/zinc/53/80/34/970538034.db2.gz WMEUZJKMIKWSAO-UONOGXRCSA-N 2 0 238.375 1.175 20 0 BDADRP CC[NH+](CC)CC[C@H](C)n1cnc(CC[NH3+])n1 ZINC001255943456 970564466 /nfs/dbraw/zinc/56/44/66/970564466.db2.gz NHHRLYYQCWRTJN-NSHDSACASA-N 2 0 239.367 1.072 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@]1(C)CCOC1 ZINC001255950623 970565265 /nfs/dbraw/zinc/56/52/65/970565265.db2.gz BPPXRTUQFCFPJP-OLZOCXBDSA-N 2 0 228.380 1.875 20 0 BDADRP CCOC[C@H](C)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000400332465 970573926 /nfs/dbraw/zinc/57/39/26/970573926.db2.gz GHUUUPMIXPAWAP-WDEREUQCSA-N 2 0 214.353 1.389 20 0 BDADRP C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)C1CC[NH2+]CC1 ZINC000400324393 970577622 /nfs/dbraw/zinc/57/76/22/970577622.db2.gz AZKOAMVTIMPBQM-BLFANLJRSA-N 2 0 226.364 1.530 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCSC1)C1CC[NH2+]CC1 ZINC000400347420 970581895 /nfs/dbraw/zinc/58/18/95/970581895.db2.gz KZXGTLDZFUBBRM-QWRGUYRKSA-N 2 0 228.405 1.717 20 0 BDADRP CC[C@H]1C[C@@H]([N@H+](C)C2CCN(C)CC2)CCO1 ZINC001170202313 970597042 /nfs/dbraw/zinc/59/70/42/970597042.db2.gz GEAGPPZERLPWLO-KBPBESRZSA-N 2 0 240.391 1.970 20 0 BDADRP CC[NH+]1CCN(C2CC[NH+](C3CC3)CC2)CC1 ZINC001256073469 970644809 /nfs/dbraw/zinc/64/48/09/970644809.db2.gz UXRNPXRKMXWDMN-UHFFFAOYSA-N 2 0 237.391 1.251 20 0 BDADRP c1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)no1 ZINC000400988458 970653072 /nfs/dbraw/zinc/65/30/72/970653072.db2.gz WQWWYFBAHHWWLV-HBNTYKKESA-N 2 0 221.304 1.152 20 0 BDADRP C[NH+]1CCC(Nc2cccc(F)c2C[NH3+])CC1 ZINC001256195044 970687749 /nfs/dbraw/zinc/68/77/49/970687749.db2.gz XLFMHZIAFGMRHN-UHFFFAOYSA-N 2 0 237.322 1.791 20 0 BDADRP C[NH+]1CCC(n2nc(C[NH3+])c3ccccc32)CC1 ZINC001256195199 970690628 /nfs/dbraw/zinc/69/06/28/970690628.db2.gz DCICFULOMBJFGD-UHFFFAOYSA-N 2 0 244.342 1.762 20 0 BDADRP CN1CCC([NH2+]C2CCC(CC[NH3+])CC2)CC1 ZINC001256199542 970693446 /nfs/dbraw/zinc/69/34/46/970693446.db2.gz DPKHYQQINUDYNS-UHFFFAOYSA-N 2 0 239.407 1.578 20 0 BDADRP C[NH+]1CCC([N@@H+]2CC[C@@H]3COC[C@@H]3C2)CC1 ZINC001256202476 970700319 /nfs/dbraw/zinc/70/03/19/970700319.db2.gz FIMYHEAGRMLWSM-NEPJUHHUSA-N 2 0 224.348 1.049 20 0 BDADRP C[NH+]1CCC([NH+]2CCC3(CC3)CC2)CC1 ZINC001256203361 970706239 /nfs/dbraw/zinc/70/62/39/970706239.db2.gz WMDWJVXJMCOWAV-UHFFFAOYSA-N 2 0 208.349 1.957 20 0 BDADRP CN(CC[NH+]1CCCC1)C1CC[NH+](C)CC1 ZINC001256208816 970715053 /nfs/dbraw/zinc/71/50/53/970715053.db2.gz PIGCTVSUXGRCAN-UHFFFAOYSA-N 2 0 225.380 1.108 20 0 BDADRP Cc1cnsc1C[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222548598 972558505 /nfs/dbraw/zinc/55/85/05/972558505.db2.gz UFALZYRHCBSCKN-UHFFFAOYSA-N 2 0 243.351 1.714 20 0 BDADRP CC1CCC([N@@H+]2CCC[C@](O)(C[NH3+])CC2)CC1 ZINC001246544659 972608281 /nfs/dbraw/zinc/60/82/81/972608281.db2.gz ROEWMRBEBBRYQR-JXQTWKCFSA-N 2 0 240.391 1.741 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCN1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001246545169 972623837 /nfs/dbraw/zinc/62/38/37/972623837.db2.gz UJEFCPIINPUPMV-PEBLQZBPSA-N 2 0 237.391 1.423 20 0 BDADRP [NH3+]CCCCCCCC(=O)N1CCC([NH3+])CC1 ZINC001160511373 972625543 /nfs/dbraw/zinc/62/55/43/972625543.db2.gz NZVQTRGYTYIMEP-UHFFFAOYSA-N 2 0 241.379 1.235 20 0 BDADRP C[NH2+]C1CCC([N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)CC1 ZINC001246548422 972685854 /nfs/dbraw/zinc/68/58/54/972685854.db2.gz GMDVCNLXEQYXHL-KBHBFKLGSA-N 3 0 239.407 1.434 20 0 BDADRP [NH3+][C@@H]1CCC[N@@H+](C2C[C@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001246550971 972726926 /nfs/dbraw/zinc/72/69/26/972726926.db2.gz ZNIUGIKXECLFAR-SDDRHHMPSA-N 2 0 236.359 1.557 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N2CC[C@@H]([NH3+])[C@H]2C)CC[NH2+]1 ZINC001246551710 972728476 /nfs/dbraw/zinc/72/84/76/972728476.db2.gz UQUKCQUWHKIQII-XQHKEYJVSA-N 2 0 225.380 1.185 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@H](COC)C(C)C ZINC001327840656 972755753 /nfs/dbraw/zinc/75/57/53/972755753.db2.gz RGDGBMPVSNYLKY-GHMZBOCLSA-N 2 0 202.342 1.245 20 0 BDADRP C[C@@H]1CC[C@H](C[NH3+])N([C@H]2CCC[NH2+]CC2)C1 ZINC001246556502 972768674 /nfs/dbraw/zinc/76/86/74/972768674.db2.gz JLJHHKMPVILWSX-FRRDWIJNSA-N 2 0 225.380 1.188 20 0 BDADRP CCC[C@H](C)[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246559936 972787599 /nfs/dbraw/zinc/78/75/99/972787599.db2.gz OGXYXCCIYOEZOH-RYUDHWBXSA-N 2 0 214.353 1.351 20 0 BDADRP [NH3+]C[C@]1(O)CCCC[N@@H+](C2CCSCC2)C1 ZINC001246565246 972806353 /nfs/dbraw/zinc/80/63/53/972806353.db2.gz YNYCRTYLUBDDGU-GFCCVEGCSA-N 2 0 244.404 1.058 20 0 BDADRP Cc1cc(NCC(C)(C)[NH3+])nc2c1C[NH2+]CC2 ZINC001171186578 972823150 /nfs/dbraw/zinc/82/31/50/972823150.db2.gz VOAHVEBHVSHMAF-UHFFFAOYSA-N 2 0 234.347 1.185 20 0 BDADRP COC(=O)CCCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246568892 972825897 /nfs/dbraw/zinc/82/58/97/972825897.db2.gz SUFKVGFAVDXRJW-IJLUTSLNSA-N 2 0 242.363 1.387 20 0 BDADRP CCCC[C@@H]1C[C@H](N2CC[NH2+][C@H](C)C2)CC[NH2+]1 ZINC001246571014 972842910 /nfs/dbraw/zinc/84/29/10/972842910.db2.gz CKWIPXNYPGWQOV-MGPQQGTHSA-N 2 0 239.407 1.591 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N1C[C@H]([NH3+])C[C@H](F)C1 ZINC001246572385 972853906 /nfs/dbraw/zinc/85/39/06/972853906.db2.gz GVILUZJIQVBRBO-RWMBFGLXSA-N 2 0 245.386 1.478 20 0 BDADRP C[C@H]1C[N@@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)CCN1 ZINC001246574099 972866470 /nfs/dbraw/zinc/86/64/70/972866470.db2.gz JWIZBNGPAPHKST-STQMWFEESA-N 2 0 237.391 1.202 20 0 BDADRP CC[C@@H]1C[C@H](N2[C@H](C)C[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC001246586836 972982482 /nfs/dbraw/zinc/98/24/82/972982482.db2.gz PARMDZAPTKWEIU-YVECIDJPSA-N 2 0 225.380 1.199 20 0 BDADRP CC[C@@H]1C[C@H](N2CCC23C[NH2+]C3)C[C@H](CC)[NH2+]1 ZINC001246602895 973025515 /nfs/dbraw/zinc/02/55/15/973025515.db2.gz DMBAOUNRRMWEMG-ITGUQSILSA-N 2 0 237.391 1.343 20 0 BDADRP C[NH2+]CC[C@H](C)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC001246609297 973030794 /nfs/dbraw/zinc/03/07/94/973030794.db2.gz MDEYIGRBUHEFTA-QWHCGFSZSA-N 2 0 225.380 1.060 20 0 BDADRP C1CC2(C[NH2+]C2)N1[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246608066 973032884 /nfs/dbraw/zinc/03/28/84/973032884.db2.gz SJLZEFKJZZQNBO-ZDUSSCGKSA-N 2 0 249.402 1.489 20 0 BDADRP C[C@H]1C[C@@H]([N@@H+]2CCC3(C2)CC[NH2+]CC3)CC[NH2+]1 ZINC001246636073 973047053 /nfs/dbraw/zinc/04/70/53/973047053.db2.gz BPTRJDPOXZJPNK-STQMWFEESA-N 3 0 237.391 1.202 20 0 BDADRP CC(C)(C)[NH+]1CCN(CCCCCC[NH3+])CC1 ZINC000042463204 973048674 /nfs/dbraw/zinc/04/86/74/973048674.db2.gz PCGGVLNSHVZYRE-UHFFFAOYSA-N 2 0 241.423 1.922 20 0 BDADRP C1[C@H]2NCC[N@@H+](C3CCC4(CCC[NH2+]C4)CC3)[C@@H]12 ZINC001246661226 973076874 /nfs/dbraw/zinc/07/68/74/973076874.db2.gz KOVPWMKCACQRGC-FUUBYGMNSA-N 2 0 249.402 1.345 20 0 BDADRP CC(C)[C@H]1C[C@@H](N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC001246676130 973080270 /nfs/dbraw/zinc/08/02/70/973080270.db2.gz YUGGTXHSZFIQGM-RFQIPJPRSA-N 2 0 237.391 1.199 20 0 BDADRP CN([C@@H]1CC[NH2+]C1)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246794861 973096751 /nfs/dbraw/zinc/09/67/51/973096751.db2.gz CDJPIFVRVXMBNR-UPJWGTAASA-N 2 0 239.407 1.447 20 0 BDADRP CCN(CC[NH+]1CCCC1)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246797677 973100707 /nfs/dbraw/zinc/10/07/07/973100707.db2.gz PQSOLJRVEUEIRS-UONOGXRCSA-N 2 0 239.407 1.545 20 0 BDADRP C[C@@H]1C[C@H](C)C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246836708 973131815 /nfs/dbraw/zinc/13/18/15/973131815.db2.gz BOHHDCDWFWTLDL-FRRDWIJNSA-N 2 0 237.391 1.058 20 0 BDADRP C1[NH2+]CC12C[C@@H]([NH+]1CC3(C1)CCCCC3)CCN2 ZINC001246858845 973169106 /nfs/dbraw/zinc/16/91/06/973169106.db2.gz IQYBEUPZQDFRFF-ZDUSSCGKSA-N 2 0 249.402 1.347 20 0 BDADRP Cc1nc2c(n1[C@@H]1CC[C@@H](C)[NH2+]C1)C[NH2+]CC2 ZINC001246859543 973169207 /nfs/dbraw/zinc/16/92/07/973169207.db2.gz GABYITICOHNROF-MWLCHTKSSA-N 2 0 234.347 1.150 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1C[C@H]3CC[C@]3([NH3+])C1)C2 ZINC001246854666 973173736 /nfs/dbraw/zinc/17/37/36/973173736.db2.gz QNXZIYBFVHBBJL-DGTMBMJNSA-N 2 0 235.375 1.035 20 0 BDADRP C1CC1N(C1C[NH2+]C1)[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246864332 973190927 /nfs/dbraw/zinc/19/09/27/973190927.db2.gz OLFOMPJJBNJYPZ-LBPRGKRZSA-N 2 0 235.375 1.097 20 0 BDADRP [NH3+][C@]12CC[C@H]1C[N@@H+](C1CCSCC1)C2 ZINC001246865294 973207116 /nfs/dbraw/zinc/20/71/16/973207116.db2.gz ZFUQINYPPRRZGC-ONGXEEELSA-N 2 0 212.362 1.305 20 0 BDADRP CC[C@@H]1C[C@@H](N(C)C[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC001246888823 973324286 /nfs/dbraw/zinc/32/42/86/973324286.db2.gz KPIHUFLZWJJSDW-AGIUHOORSA-N 2 0 225.380 1.201 20 0 BDADRP C[NH2+][C@@H]1CCN1[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246904833 973384995 /nfs/dbraw/zinc/38/49/95/973384995.db2.gz YSVAFYMHWXHCFG-OLZOCXBDSA-N 2 0 237.391 1.693 20 0 BDADRP CC(C)[NH2+][C@@H](C)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001329110502 973490118 /nfs/dbraw/zinc/49/01/18/973490118.db2.gz PCHIJASEJOETFY-RYUDHWBXSA-N 2 0 243.395 1.219 20 0 BDADRP CCCC[C@@H]1CN([C@H]2CC[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC001246917925 973495706 /nfs/dbraw/zinc/49/57/06/973495706.db2.gz GLIOGILTEIVSMV-MJBXVCDLSA-N 2 0 239.407 1.591 20 0 BDADRP C1[C@@H]2CC[NH2+]CC[C@@H]2C[N@H+]1[C@@H]1CCCOC1 ZINC001246928568 973579316 /nfs/dbraw/zinc/57/93/16/973579316.db2.gz AOOUNCXAFIAAPF-FRRDWIJNSA-N 2 0 224.348 1.097 20 0 BDADRP C[NH+]1CCC(CO[C@H]2CCC[N@H+](C)CC2)CC1 ZINC001224451280 973658457 /nfs/dbraw/zinc/65/84/57/973658457.db2.gz UMLSOBAARICGIX-AWEZNQCLSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@@H]1C[C@@H](N2CC[NH2+]C3=CCCC[C@H]32)C[NH2+]1 ZINC001246998478 973793766 /nfs/dbraw/zinc/79/37/66/973793766.db2.gz XISMPGUUIJICDB-NQBHXWOUSA-N 2 0 221.348 1.078 20 0 BDADRP CC(C)C[NH2+]CC(=O)NCc1ccc(C[NH3+])cc1 ZINC001329522584 973810092 /nfs/dbraw/zinc/81/00/92/973810092.db2.gz ZNOALQMJDUIXBI-UHFFFAOYSA-N 2 0 249.358 1.007 20 0 BDADRP COc1nccc(NC[C@@H]2CCCC[NH2+]2)c1N ZINC001171329574 973828785 /nfs/dbraw/zinc/82/87/85/973828785.db2.gz KXLKQELIIFODDU-VIFPVBQESA-N 2 0 236.319 1.226 20 0 BDADRP C[N@@H+]1CCC[C@H](OCCC[NH+]2CCCC2)CC1 ZINC001224743494 973905460 /nfs/dbraw/zinc/90/54/60/973905460.db2.gz ATYGFBYGVKQBDE-AWEZNQCLSA-N 2 0 240.391 1.973 20 0 BDADRP CC[NH+](CC)CCNc1cc(N(C)C)ncn1 ZINC000585415381 973914853 /nfs/dbraw/zinc/91/48/53/973914853.db2.gz QYQSHKMRJDQIIW-UHFFFAOYSA-N 2 0 237.351 1.296 20 0 BDADRP C[C@H]([C@H](C)O)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001171554452 974097494 /nfs/dbraw/zinc/09/74/94/974097494.db2.gz HQABXWHPJAEYAI-OLZOCXBDSA-N 2 0 249.358 1.363 20 0 BDADRP C[NH+]1C(C)(C)CC([NH2+]C[C@@H](O)CF)CC1(C)C ZINC001171630286 974110302 /nfs/dbraw/zinc/11/03/02/974110302.db2.gz LCXUWKGCLBOXDB-NSHDSACASA-N 2 0 246.370 1.558 20 0 BDADRP C[NH+]1C(C)(C)CC([NH2+]C2CC(O)C2)CC1(C)C ZINC001171613440 974113761 /nfs/dbraw/zinc/11/37/61/974113761.db2.gz JSDAWTCJZQVIJD-UHFFFAOYSA-N 2 0 240.391 1.751 20 0 BDADRP C[NH+](C)CCC[NH2+][C@H]1Cc2cccc(F)c2C1 ZINC001171768203 974153713 /nfs/dbraw/zinc/15/37/13/974153713.db2.gz FMNAGPWTXSOFDD-LBPRGKRZSA-N 2 0 236.334 1.834 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@@H]1Cc2cccc(F)c2C1 ZINC001171783037 974174426 /nfs/dbraw/zinc/17/44/26/974174426.db2.gz IRWZGSMIHVUEMT-GXSJLCMTSA-N 2 0 222.307 1.477 20 0 BDADRP [NH3+][C@@H]1CCN(CC[C@H]2CCCC[NH2+]2)CC[C@H]1F ZINC001206155421 974269866 /nfs/dbraw/zinc/26/98/66/974269866.db2.gz LJCCLLCNVYQCGG-JHJVBQTASA-N 2 0 243.370 1.280 20 0 BDADRP [NH3+][C@H]1CCN(Cc2ccc[nH]2)CC[C@H]1F ZINC001206155593 974332695 /nfs/dbraw/zinc/33/26/95/974332695.db2.gz MODYWXHOCALZML-MNOVXSKESA-N 2 0 211.284 1.276 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC(C)(C)O)C2 ZINC001172098402 974335990 /nfs/dbraw/zinc/33/59/90/974335990.db2.gz DCBFLDSFSFJOQB-CNDDSTCGSA-N 2 0 226.364 1.362 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[NH+]3CC[C@H]3C1)C2 ZINC001172133620 974355143 /nfs/dbraw/zinc/35/51/43/974355143.db2.gz UAGREEMBGVHSPQ-LJISPDSOSA-N 2 0 249.402 1.392 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[C@H]([NH3+])C1)C2 ZINC001172103762 974368225 /nfs/dbraw/zinc/36/82/25/974368225.db2.gz XMLPJIYEGNAGHA-RVMXOQNASA-N 2 0 223.364 1.035 20 0 BDADRP Cc1cnc(C[NH3+])n1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172106492 974368480 /nfs/dbraw/zinc/36/84/80/974368480.db2.gz PJGRCXMFRXVDBB-CLLJXQQHSA-N 2 0 248.374 1.838 20 0 BDADRP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1C[C@](C)(O)C1)C2 ZINC001172108827 974373484 /nfs/dbraw/zinc/37/34/84/974373484.db2.gz ZVQGZVJQMBKEEN-VJUFMGLXSA-N 2 0 238.375 1.505 20 0 BDADRP CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CSC1)C2 ZINC001172108737 974376965 /nfs/dbraw/zinc/37/69/65/974376965.db2.gz YPOBRSZQCVXGTJ-WLLOZRIZSA-N 2 0 226.389 1.707 20 0 BDADRP C[C@@H](C[NH3+])CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172113644 974380462 /nfs/dbraw/zinc/38/04/62/974380462.db2.gz DZVLTJTXYQIRTR-RVMXOQNASA-N 2 0 225.380 1.186 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCN1CCC1)C2 ZINC001172113473 974382898 /nfs/dbraw/zinc/38/28/98/974382898.db2.gz HLCQTIJMIOBSDY-ZSOGYDGISA-N 2 0 237.391 1.297 20 0 BDADRP C[C@H](C[NH3+])C[N@H+](C)C1C[C@H]2CC[C@@H](C1)O2 ZINC001172224447 974460323 /nfs/dbraw/zinc/46/03/23/974460323.db2.gz PUHMMQXRPVFUDI-WAAKLRNESA-N 2 0 212.337 1.223 20 0 BDADRP C[NH+](C)CCCCC[NH2+][C@@H]1COC(C)(C)C1 ZINC001172271104 974485400 /nfs/dbraw/zinc/48/54/00/974485400.db2.gz QOWOTEUWFKVXTM-LBPRGKRZSA-N 2 0 228.380 1.875 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CCC[N@H+](C)CCO)C[C@@H]1C ZINC001172365438 974642287 /nfs/dbraw/zinc/64/22/87/974642287.db2.gz BPQZXKJSYXUTJI-HZSPNIEDSA-N 2 0 242.407 1.715 20 0 BDADRP COC(=O)[C@@H]1CCC[C@@H]([N@H+](C)C[C@H](C)C[NH3+])C1 ZINC001172604054 974881805 /nfs/dbraw/zinc/88/18/05/974881805.db2.gz RLANPTHOCBWHRP-IJLUTSLNSA-N 2 0 242.363 1.245 20 0 BDADRP CC[C@@H]([NH2+]C)C(=O)N(C)C1(C[NH3+])CCCCC1 ZINC001332034701 974926084 /nfs/dbraw/zinc/92/60/84/974926084.db2.gz RSNXGPVSSHWNEI-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])C1 ZINC001172930853 974982675 /nfs/dbraw/zinc/98/26/75/974982675.db2.gz JHDTXWZLGUOCJD-WHOHXGKFSA-N 2 0 212.337 1.413 20 0 BDADRP CC(C)[NH+]1CCC(Oc2cc[nH+]c(N)c2)CC1 ZINC001226656147 975001776 /nfs/dbraw/zinc/00/17/76/975001776.db2.gz KORZFZZGPNXNAY-UHFFFAOYSA-N 2 0 235.331 1.915 20 0 BDADRP CC[NH+](CC)C1CCC([NH2+]CCC(N)=O)CC1 ZINC001173103855 975021864 /nfs/dbraw/zinc/02/18/64/975021864.db2.gz WMUXUVVVVVDXLW-UHFFFAOYSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@H]1C[C@@H]([NH2+][C@H]2CCC[N@H+](C)CC2)CCO1 ZINC001173169492 975060182 /nfs/dbraw/zinc/06/01/82/975060182.db2.gz LNNNGHOPLWOSOQ-AVGNSLFASA-N 2 0 226.364 1.628 20 0 BDADRP C[NH2+][C@@H](C)CCNC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC001332401109 975094657 /nfs/dbraw/zinc/09/46/57/975094657.db2.gz OKOWZIMKEIGYGX-WDEREUQCSA-N 2 0 249.358 1.434 20 0 BDADRP CCC[NH2+]CC[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC001332402827 975096378 /nfs/dbraw/zinc/09/63/78/975096378.db2.gz SPRGRCNCXHKQBE-MGPQQGTHSA-N 2 0 240.391 1.781 20 0 BDADRP CC[C@@H]1CC[C@@H]([NH+]2CCN(CCC[NH3+])CC2)C1 ZINC001173262663 975116420 /nfs/dbraw/zinc/11/64/20/975116420.db2.gz FMLZAQVYVUBLAI-ZIAGYGMSSA-N 2 0 239.407 1.532 20 0 BDADRP CC[C@@H]1CC[C@H]([NH2+]CCOCC[NH3+])C1 ZINC001173266909 975131091 /nfs/dbraw/zinc/13/10/91/975131091.db2.gz OOILVMPQXXJOTD-MNOVXSKESA-N 2 0 200.326 1.130 20 0 BDADRP CC[C@@H]1CC[C@@H](NC(=[NH2+])NCCCC[NH3+])C1 ZINC001173267511 975131552 /nfs/dbraw/zinc/13/15/52/975131552.db2.gz RMOSQDYYRFWPBY-GHMZBOCLSA-N 2 0 226.368 1.418 20 0 BDADRP CC[C@@H]1CC[C@H]([NH2+]CCC[N@H+](C)CCO)C1 ZINC001173275057 975154277 /nfs/dbraw/zinc/15/42/77/975154277.db2.gz LHACSQGTQWETAJ-OLZOCXBDSA-N 2 0 228.380 1.469 20 0 BDADRP CCN1CC[C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)C1 ZINC001173349584 975290619 /nfs/dbraw/zinc/29/06/19/975290619.db2.gz IODDHLKLXMVVHU-ZIAGYGMSSA-N 2 0 239.407 1.402 20 0 BDADRP CC[N@@H+]1CC[C@H](Nc2cccnc2C[NH3+])C1 ZINC001173357112 975316465 /nfs/dbraw/zinc/31/64/65/975316465.db2.gz IBZITUQPLIHMTJ-JTQLQIEISA-N 2 0 220.320 1.046 20 0 BDADRP CCN1CC[C@H]([NH+]2CCC(C[NH+](C)C)CC2)C1 ZINC001173363533 975335330 /nfs/dbraw/zinc/33/53/30/975335330.db2.gz OSQZXKVUHRZIQM-AWEZNQCLSA-N 2 0 239.407 1.354 20 0 BDADRP CC[N@@H+]1CC[C@H](n2c(C)nc3c2CC[NH2+]CC3)C1 ZINC001173364176 975339168 /nfs/dbraw/zinc/33/91/68/975339168.db2.gz PWVBZMXBCSQDCU-LBPRGKRZSA-N 2 0 248.374 1.146 20 0 BDADRP CCN(CC[NH+]1CCCC1)[C@H]1CC[N@H+](CC)C1 ZINC001173365994 975345704 /nfs/dbraw/zinc/34/57/04/975345704.db2.gz UIHZHIXBYJVGNI-AWEZNQCLSA-N 2 0 239.407 1.498 20 0 BDADRP CCN(CCC[NH+](C)C)[C@@H]1CC[N@H+](CC)C1 ZINC001173368727 975348344 /nfs/dbraw/zinc/34/83/44/975348344.db2.gz RAUYCVWWAQREBQ-CYBMUJFWSA-N 2 0 227.396 1.354 20 0 BDADRP CC[NH+](CC)[C@@H]1CCN([C@@H]2CC[N@H+](CC)C2)C1 ZINC001173372845 975356693 /nfs/dbraw/zinc/35/66/93/975356693.db2.gz RXXLQHCNPHYLLK-ZIAGYGMSSA-N 2 0 239.407 1.497 20 0 BDADRP CC[N@@H+]1CC[C@@H](N2CCC([NH+]3CCC3)CC2)C1 ZINC001173374708 975360820 /nfs/dbraw/zinc/36/08/20/975360820.db2.gz MKAPHSCIZHHPHA-CQSZACIVSA-N 2 0 237.391 1.251 20 0 BDADRP CC[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2(C)C)C1 ZINC001173374843 975362423 /nfs/dbraw/zinc/36/24/23/975362423.db2.gz OWAJEZKVUMNRFY-CYBMUJFWSA-N 2 0 239.407 1.497 20 0 BDADRP COC(=O)CCCC[C@@H](C)[NH2+]C[C@@H](C)C[NH3+] ZINC001173446502 975389896 /nfs/dbraw/zinc/38/98/96/975389896.db2.gz WDIZMMFUBVTFDQ-WDEREUQCSA-N 2 0 230.352 1.293 20 0 BDADRP CCOC(=O)C[C@H]1CC[C@H]([NH2+]CCCC[NH3+])C1 ZINC001173620382 975489163 /nfs/dbraw/zinc/48/91/63/975489163.db2.gz GSEJJTPAVDTOGN-RYUDHWBXSA-N 2 0 242.363 1.437 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2C3CCC2(CO)CC3)C1 ZINC001333162893 975517273 /nfs/dbraw/zinc/51/72/73/975517273.db2.gz JVSMLSKKVALQFV-ZFDZMSFRSA-N 2 0 224.348 1.103 20 0 BDADRP CCC1([NH+]2CCC2)CCN(C[C@H](C)[NH3+])CC1 ZINC001333474983 975804213 /nfs/dbraw/zinc/80/42/13/975804213.db2.gz VVHITWNONGEULD-LBPRGKRZSA-N 2 0 225.380 1.284 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2COC[C@@H]2C)C1 ZINC001333559077 975849052 /nfs/dbraw/zinc/84/90/52/975849052.db2.gz NHWJKEYMIHFYDL-YNEHKIRRSA-N 2 0 226.364 1.343 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2COC[C@H]2C)C1 ZINC001333559074 975849705 /nfs/dbraw/zinc/84/97/05/975849705.db2.gz NHWJKEYMIHFYDL-UPJWGTAASA-N 2 0 226.364 1.343 20 0 BDADRP C[NH+]1CCC(CC[NH2+]Cc2cc[nH]c(=O)c2)CC1 ZINC001333656111 975939743 /nfs/dbraw/zinc/93/97/43/975939743.db2.gz ZCBZSHCEIUUIOQ-UHFFFAOYSA-N 2 0 249.358 1.609 20 0 BDADRP CC1(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)OCCO1 ZINC001334391653 976487799 /nfs/dbraw/zinc/48/77/99/976487799.db2.gz WZKLARCMLBETRZ-WDEREUQCSA-N 2 0 242.363 1.245 20 0 BDADRP CCC[NH2+]CCN[C@@H]1CC[NH2+]C12CCCC2 ZINC001335249914 976899779 /nfs/dbraw/zinc/89/97/79/976899779.db2.gz CDEPCALKCFFCAD-GFCCVEGCSA-N 2 0 225.380 1.250 20 0 BDADRP CSC[C@H](O)C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC001335397330 977024573 /nfs/dbraw/zinc/02/45/73/977024573.db2.gz FFIPJJLLBNHQOT-LLVKDONJSA-N 2 0 246.420 1.032 20 0 BDADRP CC1CC(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C1 ZINC001175210590 977328319 /nfs/dbraw/zinc/32/83/19/977328319.db2.gz CRBFBWKQDLLYAN-PQAZSJQKSA-N 2 0 222.376 1.916 20 0 BDADRP CC[N@H+](CCC(N)=O)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232014239 977839988 /nfs/dbraw/zinc/83/99/88/977839988.db2.gz LVYSFVONXCYUCX-UHFFFAOYSA-N 2 0 246.314 1.260 20 0 BDADRP Cc1[nH+]cn(-c2cc(C)[nH+]c(C)c2)c1N ZINC001176053922 977900880 /nfs/dbraw/zinc/90/08/80/977900880.db2.gz KZBWHHPWMWABTI-UHFFFAOYSA-N 2 0 202.261 1.775 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CN1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC001176069128 977912507 /nfs/dbraw/zinc/91/25/07/977912507.db2.gz GRBOLIUATJNENI-BFHYXJOUSA-N 2 0 237.391 1.249 20 0 BDADRP COC1(C[NH2+]Cc2ccc3c[nH+]cn3c2)CCC1 ZINC001336755695 977921532 /nfs/dbraw/zinc/92/15/32/977921532.db2.gz SPKIPGRAMOUPNU-UHFFFAOYSA-N 2 0 245.326 1.993 20 0 BDADRP C[C@@H]1C[NH2+]CCN(Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC001206277289 978122195 /nfs/dbraw/zinc/12/21/95/978122195.db2.gz QSZPMMOJAWTIHS-GFCCVEGCSA-N 2 0 245.370 1.331 20 0 BDADRP C[C@@H](O)C[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001177008492 978270366 /nfs/dbraw/zinc/27/03/66/978270366.db2.gz KVGGOFFBYCFJGR-MCIONIFRSA-N 2 0 238.375 1.175 20 0 BDADRP Cc1ncc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)cn1 ZINC001206294030 978295240 /nfs/dbraw/zinc/29/52/40/978295240.db2.gz IOZKZHQUUHVMAR-AWEZNQCLSA-N 2 0 248.374 1.736 20 0 BDADRP C[C@@H]([NH3+])CN(CC[NH3+])Cc1cccc(Cl)c1 ZINC001337600915 978412701 /nfs/dbraw/zinc/41/27/01/978412701.db2.gz BUARRYPARJTVKD-SNVBAGLBSA-N 2 0 241.766 1.448 20 0 BDADRP CN(C[C@@H]1CCC[N@H+](C)C1)c1cc[nH+]cc1 ZINC001337707996 978468560 /nfs/dbraw/zinc/46/85/60/978468560.db2.gz AYPGUYJXNXEVBD-GFCCVEGCSA-N 2 0 219.332 1.860 20 0 BDADRP c1cc(NC[C@H]2CCCC[N@@H+]2C2CC2)cc[nH+]1 ZINC001337709788 978468934 /nfs/dbraw/zinc/46/89/34/978468934.db2.gz PKELIXWEFZQXHZ-CQSZACIVSA-N 2 0 231.343 1.932 20 0 BDADRP CC(C)(C)[N@@H+]1CC[C@@H]1CNc1nccnc1C[NH3+] ZINC001337917441 978561374 /nfs/dbraw/zinc/56/13/74/978561374.db2.gz QQRZZGMTZXXONK-SNVBAGLBSA-N 2 0 249.362 1.220 20 0 BDADRP Cc1cc(N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)cc[nH+]1 ZINC001338162082 978622386 /nfs/dbraw/zinc/62/23/86/978622386.db2.gz GXULUHDNJKEGIZ-IACUBPJLSA-N 2 0 231.343 1.564 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H](Nc3cc[nH+]c(CO)c3)[C@@H]2C1 ZINC001338296289 978655167 /nfs/dbraw/zinc/65/51/67/978655167.db2.gz HNFMDFSAESNLBX-GDLCADMTSA-N 2 0 247.342 1.326 20 0 BDADRP CC(C)[N@@H+]1CCCC2(CN(CC[NH+](C)C)C2)C1 ZINC001277798921 978664814 /nfs/dbraw/zinc/66/48/14/978664814.db2.gz FKWAAYGQISTMLX-UHFFFAOYSA-N 2 0 239.407 1.354 20 0 BDADRP C[C@@H](O)[C@H](C)[NH2+]CCN1CCCC1(C)C ZINC001338522084 978701563 /nfs/dbraw/zinc/70/15/63/978701563.db2.gz SJUFGNIKEZVGOS-WDEREUQCSA-N 2 0 214.353 1.220 20 0 BDADRP C[NH2+][C@@]12CC[C@@]([NH2+]CCC(=O)OC)(C1)CCC2 ZINC001277864409 978861280 /nfs/dbraw/zinc/86/12/80/978861280.db2.gz FYAAOZXXOLZLBF-QWHCGFSZSA-N 2 0 240.347 1.204 20 0 BDADRP CC[C@@]1(C(=O)N[C@@H](C[NH3+])CC(C)C)CCC[NH2+]1 ZINC001339851929 978924135 /nfs/dbraw/zinc/92/41/35/978924135.db2.gz CAJCHUYKJQLELB-YPMHNXCESA-N 2 0 241.379 1.008 20 0 BDADRP [NH3+]Cc1ccc(CN2C[C@H]([NH3+])C[C@@H](F)C2)cc1 ZINC001206425544 978928412 /nfs/dbraw/zinc/92/84/12/978928412.db2.gz WNGMYHWIROSQOR-CHWSQXEVSA-N 2 0 237.322 1.016 20 0 BDADRP C([C@H]1CCCC[NH2+]1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234993461 978945691 /nfs/dbraw/zinc/94/56/91/978945691.db2.gz NYUGUWONRIGKNL-KGLIPLIRSA-N 2 0 237.391 1.204 20 0 BDADRP C([C@@H]1CCC[NH2+]1)N1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235038290 978957996 /nfs/dbraw/zinc/95/79/96/978957996.db2.gz FMFIMZVDEICFAG-KBPBESRZSA-N 2 0 237.391 1.347 20 0 BDADRP c1c(CN2CC[C@H]3[NH2+]CC[C@H]32)[nH]c2cc[nH+]cc12 ZINC001235080064 978970722 /nfs/dbraw/zinc/97/07/22/978970722.db2.gz UMIVFQFYCQCQIM-ZIAGYGMSSA-N 2 0 242.326 1.499 20 0 BDADRP [NH3+]Cc1cccc(CN2CC[C@H]3[NH2+]CC[C@H]32)c1 ZINC001235079023 978971343 /nfs/dbraw/zinc/97/13/43/978971343.db2.gz MYRPFJUBXCIZNR-ZIAGYGMSSA-N 2 0 231.343 1.082 20 0 BDADRP OCC[NH+]1CCC2(CC1)C[NH2+]Cc1ccccc12 ZINC001235090896 978973631 /nfs/dbraw/zinc/97/36/31/978973631.db2.gz DPKJWUUJLJJKIQ-UHFFFAOYSA-N 2 0 246.354 1.116 20 0 BDADRP [NH3+][C@H](CN1CCC[C@@]12CC[NH2+]C2)c1ccccc1 ZINC001235111786 978976288 /nfs/dbraw/zinc/97/62/88/978976288.db2.gz VQNZWKDQHMTYDL-CABCVRRESA-N 2 0 245.370 1.514 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235127122 978982163 /nfs/dbraw/zinc/98/21/63/978982163.db2.gz XOHAMZHPPPTSHK-AWEZNQCLSA-N 3 0 237.391 1.204 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)N1CCCC[C@@]12CC[NH2+]C2 ZINC001235127501 978982274 /nfs/dbraw/zinc/98/22/74/978982274.db2.gz YZGVOTBVPYXCKY-KGLIPLIRSA-N 2 0 237.391 1.204 20 0 BDADRP C([C@H]1CCC[NH2+]1)N1CCCC[C@@]12CCC[NH2+]C2 ZINC001235172128 978990483 /nfs/dbraw/zinc/99/04/83/978990483.db2.gz KMJURTFEDXVYHG-KGLIPLIRSA-N 2 0 237.391 1.347 20 0 BDADRP [NH3+][C@H](CN1C[C@H]2CCC[C@@]2([NH3+])C1)c1ccccc1 ZINC001235241622 979003144 /nfs/dbraw/zinc/00/31/44/979003144.db2.gz YJEWKZMCHGPTFC-RBSFLKMASA-N 2 0 245.370 1.500 20 0 BDADRP [NH3+][C@H]1[C@H]2CN(CCC[NH2+]C3CCCCC3)C[C@@H]12 ZINC001235284111 979018169 /nfs/dbraw/zinc/01/81/69/979018169.db2.gz UCJZBSJYZJPLTM-BTTYYORXSA-N 2 0 237.391 1.188 20 0 BDADRP [NH3+][C@H]1C[C@H](F)CN(Cc2cccc3c[nH+]cn32)C1 ZINC001206445283 979022034 /nfs/dbraw/zinc/02/20/34/979022034.db2.gz NZTILDDRHZFABF-QWRGUYRKSA-N 2 0 248.305 1.205 20 0 BDADRP OCCCCC[NH+]1CCC(C2C[NH2+]C2)CC1 ZINC001235334417 979027334 /nfs/dbraw/zinc/02/73/34/979027334.db2.gz FENZIWCLMLJOGH-UHFFFAOYSA-N 2 0 226.364 1.080 20 0 BDADRP C[C@H]1C[NH2+]CCN1CCC[NH2+]C1CCCCC1 ZINC001235362522 979032767 /nfs/dbraw/zinc/03/27/67/979032767.db2.gz PDFANFMUANWKGP-ZDUSSCGKSA-N 2 0 239.407 1.593 20 0 BDADRP [NH3+]CCCCCCNC(=O)c1ccccc1C[NH3+] ZINC001340535360 979035221 /nfs/dbraw/zinc/03/52/21/979035221.db2.gz WSAKAXMJCJCFAZ-UHFFFAOYSA-N 2 0 249.358 1.394 20 0 BDADRP OCCCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235425516 979043516 /nfs/dbraw/zinc/04/35/16/979043516.db2.gz LNCYBYFGUCQWMS-KGLIPLIRSA-N 2 0 240.391 1.471 20 0 BDADRP CO[C@@H]1CCC[C@@H]2C[N@H+](C[C@@H](C)[NH3+])C[C@@H]21 ZINC001235624973 979106876 /nfs/dbraw/zinc/10/68/76/979106876.db2.gz NJTMXPRVEXGUBU-WISYIIOYSA-N 2 0 212.337 1.081 20 0 BDADRP OCCC[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC001235702835 979130007 /nfs/dbraw/zinc/13/00/07/979130007.db2.gz OLGBQOMZZBROHW-UHFFFAOYSA-N 2 0 226.364 1.080 20 0 BDADRP [NH3+][C@H](CN1CCCC2(C[NH2+]C2)C1)c1ccccc1 ZINC001235710807 979131430 /nfs/dbraw/zinc/13/14/30/979131430.db2.gz GAEYVIBDYFZPMW-CQSZACIVSA-N 2 0 245.370 1.372 20 0 BDADRP [NH3+]CCCC[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC001235715885 979136041 /nfs/dbraw/zinc/13/60/41/979136041.db2.gz WZLJRNGBJVIEDY-ZDUSSCGKSA-N 2 0 219.332 1.610 20 0 BDADRP Fc1ccccc1[C@@H]1C[NH2+]CCN1C[C@H]1CC[NH2+]1 ZINC001235742003 979141473 /nfs/dbraw/zinc/14/14/73/979141473.db2.gz HNIDXCVHJZCNSV-RISCZKNCSA-N 2 0 249.333 1.134 20 0 BDADRP [NH3+]CCCC[NH+]1CCC2(CCCO2)CC1 ZINC001235793721 979150670 /nfs/dbraw/zinc/15/06/70/979150670.db2.gz AEXQFBRLPNRDQQ-UHFFFAOYSA-N 2 0 212.337 1.370 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCNC[C@@H]1Cc1ccccc1 ZINC001235847372 979170178 /nfs/dbraw/zinc/17/01/78/979170178.db2.gz HFZWCVNSUUFBCD-HNNXBMFYSA-N 2 0 247.386 1.242 20 0 BDADRP Cc1ccc(CN(CC[NH3+])CC[NH3+])cc1Cl ZINC001235877111 979176173 /nfs/dbraw/zinc/17/61/73/979176173.db2.gz HFLIVKRGXVWWBS-UHFFFAOYSA-N 2 0 241.766 1.368 20 0 BDADRP CC(C)Cc1ccc(CN(CC[NH3+])CC[NH3+])cc1 ZINC001235876818 979176418 /nfs/dbraw/zinc/17/64/18/979176418.db2.gz CQLZGTNTJJOUFO-UHFFFAOYSA-N 2 0 249.402 1.605 20 0 BDADRP Cc1cccc2[nH]cc(CN(CC[NH3+])CC[NH3+])c21 ZINC001235877199 979178661 /nfs/dbraw/zinc/17/86/61/979178661.db2.gz MJXOSCMEUKNRHG-UHFFFAOYSA-N 2 0 246.358 1.196 20 0 BDADRP [NH3+]CCCC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001235883668 979180259 /nfs/dbraw/zinc/18/02/59/979180259.db2.gz IPAKHXJVXMHEHA-CYBMUJFWSA-N 3 0 225.380 1.189 20 0 BDADRP C[C@@H]1C[N@@H+](CC2(C)CC[NH2+]CC2)C[C@H](C)N1 ZINC001235897478 979188336 /nfs/dbraw/zinc/18/83/36/979188336.db2.gz VZSGFDVZRXATQE-TXEJJXNPSA-N 2 0 225.380 1.058 20 0 BDADRP COC(=O)CC[C@@H]1CC[N@H+](CCCC[NH3+])C1 ZINC001235934966 979201340 /nfs/dbraw/zinc/20/13/40/979201340.db2.gz QMVMQMNJEPTEHL-LLVKDONJSA-N 2 0 228.336 1.000 20 0 BDADRP C(CN1CC2(C1)CCCC[NH2+]2)[C@@H]1CCC[NH2+]C1 ZINC001235922251 979206351 /nfs/dbraw/zinc/20/63/51/979206351.db2.gz DOPQZNJQXBMRRJ-ZDUSSCGKSA-N 2 0 237.391 1.204 20 0 BDADRP CN(CC[C@@H]1CCCC[NH2+]1)C[C@H]1CCC[NH2+]C1 ZINC001235951860 979216694 /nfs/dbraw/zinc/21/66/94/979216694.db2.gz USBRRMUYDAUIDU-KBPBESRZSA-N 2 0 239.407 1.450 20 0 BDADRP [NH3+]CCCC[NH+]1CCC2(CCOCC2)CC1 ZINC001235958519 979228297 /nfs/dbraw/zinc/22/82/97/979228297.db2.gz GXQNZSDEHONFRY-UHFFFAOYSA-N 2 0 226.364 1.618 20 0 BDADRP CCN(CC1(C)CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC001235969826 979234836 /nfs/dbraw/zinc/23/48/36/979234836.db2.gz DNVHPDCHQWMILL-GFCCVEGCSA-N 2 0 225.380 1.060 20 0 BDADRP CCN(Cc1ccc2c(c1)C[NH2+]C2)[C@H]1CC[NH2+]C1 ZINC001235976057 979242152 /nfs/dbraw/zinc/24/21/52/979242152.db2.gz SCCGESBCVHFCDC-HNNXBMFYSA-N 2 0 245.370 1.474 20 0 BDADRP CCN(Cc1cccc(C[NH3+])c1)[C@@H]1CC[NH2+]C1 ZINC001235972901 979244423 /nfs/dbraw/zinc/24/44/23/979244423.db2.gz AUQXDUQPTLDEMU-CQSZACIVSA-N 2 0 233.359 1.329 20 0 BDADRP [NH3+]C[C@H]1C[N@H+](CC2CCC(F)(F)CC2)C[C@H]1O ZINC001206458264 979253191 /nfs/dbraw/zinc/25/31/91/979253191.db2.gz YARGLMSLSAFFFW-WDEREUQCSA-N 2 0 248.317 1.063 20 0 BDADRP C[NH+]1CCC(CCN2C[C@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001235979950 979254584 /nfs/dbraw/zinc/25/45/84/979254584.db2.gz OTYZCYZXWTVJLR-ZIAGYGMSSA-N 2 0 237.391 1.141 20 0 BDADRP CCN(C[C@@H]1CCCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC001236003840 979289668 /nfs/dbraw/zinc/28/96/68/979289668.db2.gz ARDWNWITNPKHJC-STQMWFEESA-N 2 0 225.380 1.202 20 0 BDADRP CCN(CC1(C)CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC001236005342 979292402 /nfs/dbraw/zinc/29/24/02/979292402.db2.gz LDPVONVUFUZZPY-CYBMUJFWSA-N 2 0 239.407 1.450 20 0 BDADRP CCN(Cc1cccc(C[NH3+])c1)[C@@H]1CCC[NH2+]C1 ZINC001236008902 979296002 /nfs/dbraw/zinc/29/60/02/979296002.db2.gz JRCHYZQNENPDBA-OAHLLOKOSA-N 2 0 247.386 1.719 20 0 BDADRP C[C@H]1CN(Cc2ccc3c(c2)C[NH2+]C3)[C@@H](C)C[NH2+]1 ZINC001236078863 979366179 /nfs/dbraw/zinc/36/61/79/979366179.db2.gz JBIJDCGZVHMDJM-RYUDHWBXSA-N 2 0 245.370 1.472 20 0 BDADRP CN(C[C@@H]([NH3+])c1ccccc1)C[C@@H]1CCC[NH2+]1 ZINC001236118102 979391615 /nfs/dbraw/zinc/39/16/15/979391615.db2.gz BTWDXSITNOHZJP-UONOGXRCSA-N 2 0 233.359 1.370 20 0 BDADRP CCCC[C@H]1CN(C[C@H]([NH3+])CC)CC[NH2+]1 ZINC001236141482 979408122 /nfs/dbraw/zinc/40/81/22/979408122.db2.gz ZRRNLIGTOLUFKZ-NEPJUHHUSA-N 2 0 213.369 1.188 20 0 BDADRP C[NH+](C)CC1(CN2CC[C@H]([NH3+])C2)CCCC1 ZINC001236169556 979426261 /nfs/dbraw/zinc/42/62/61/979426261.db2.gz JWGLFHBKZCJSAV-LBPRGKRZSA-N 2 0 225.380 1.141 20 0 BDADRP CC(C)[NH2+]CC(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC001341485663 979428713 /nfs/dbraw/zinc/42/87/13/979428713.db2.gz XNKCIBFNCIUIFC-UHFFFAOYSA-N 2 0 249.358 1.817 20 0 BDADRP CN(C[C@H]1CCCC[NH2+]1)[C@@]1(C)CCC[NH2+]C1 ZINC001236200604 979444629 /nfs/dbraw/zinc/44/46/29/979444629.db2.gz ILRQGLMUCGDZAT-OLZOCXBDSA-N 2 0 225.380 1.202 20 0 BDADRP CN(C[C@@H]1CCCC[NH2+]1)[C@@]1(C)CCC[NH2+]C1 ZINC001236200607 979445291 /nfs/dbraw/zinc/44/52/91/979445291.db2.gz ILRQGLMUCGDZAT-STQMWFEESA-N 2 0 225.380 1.202 20 0 BDADRP C[N@H+](CCC1CC[NH2+]CC1)[C@@H]1CCCC[C@@H]1N ZINC001236214209 979453133 /nfs/dbraw/zinc/45/31/33/979453133.db2.gz RHJBCBZXQNYHAU-UONOGXRCSA-N 2 0 239.407 1.578 20 0 BDADRP C([C@@H]1CCCC[NH2+]1)N1CCC[C@H]([NH2+]C2CC2)C1 ZINC001236216154 979454047 /nfs/dbraw/zinc/45/40/47/979454047.db2.gz KUNVOJDKLDLOSM-KBPBESRZSA-N 2 0 237.391 1.345 20 0 BDADRP C([C@H]1CCCC[NH2+]1)N(C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001236236991 979460640 /nfs/dbraw/zinc/46/06/40/979460640.db2.gz NUBBLVDWNWFUFE-TZMCWYRMSA-N 2 0 237.391 1.345 20 0 BDADRP C[NH+]1CCC(CC[N@@H+]2CCC[C@@H]2CN)CC1 ZINC001236245412 979466734 /nfs/dbraw/zinc/46/67/34/979466734.db2.gz SVPAZFOAALNMIM-CYBMUJFWSA-N 2 0 225.380 1.141 20 0 BDADRP C[NH2+]CCN(Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001236270819 979482613 /nfs/dbraw/zinc/48/26/13/979482613.db2.gz WGQSAEMSCDUSSM-OAHLLOKOSA-N 2 0 247.386 1.460 20 0 BDADRP C([C@H]1CCCC[NH2+]1)[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314139 979523532 /nfs/dbraw/zinc/52/35/32/979523532.db2.gz HIYDIABESVXTMI-HZSPNIEDSA-N 3 0 237.391 1.060 20 0 BDADRP c1cncc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236313971 979523578 /nfs/dbraw/zinc/52/35/78/979523578.db2.gz CGJKMQNUDMNORP-OKILXGFUSA-N 2 0 231.343 1.513 20 0 BDADRP Cc1ncc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)n1C ZINC001236314736 979524548 /nfs/dbraw/zinc/52/45/48/979524548.db2.gz GEJYDFPWULCQEG-BETUJISGSA-N 2 0 248.374 1.160 20 0 BDADRP Fc1cnccc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236315660 979528941 /nfs/dbraw/zinc/52/89/41/979528941.db2.gz MGAIQLXYIMKXPZ-TXEJJXNPSA-N 2 0 249.333 1.652 20 0 BDADRP C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)CCC(C)(C)[NH3+] ZINC001341763632 979538854 /nfs/dbraw/zinc/53/88/54/979538854.db2.gz FYMKVHFTKRTYMZ-VWYCJHECSA-N 2 0 241.379 1.101 20 0 BDADRP Cc1cnc2c(c1)C[N@@H+](CCCC[NH3+])CC2 ZINC001236355671 979549763 /nfs/dbraw/zinc/54/97/63/979549763.db2.gz LCRBZUXWTXWPGF-UHFFFAOYSA-N 2 0 219.332 1.487 20 0 BDADRP C[C@@H](CCC[NH3+])NC(=O)c1ccccc1C[NH3+] ZINC001341777557 979554816 /nfs/dbraw/zinc/55/48/16/979554816.db2.gz JSJFIVYSXKELJU-JTQLQIEISA-N 2 0 235.331 1.003 20 0 BDADRP C[C@H](CCC[NH3+])NC(=O)c1ccccc1C[NH3+] ZINC001341777558 979555538 /nfs/dbraw/zinc/55/55/38/979555538.db2.gz JSJFIVYSXKELJU-SNVBAGLBSA-N 2 0 235.331 1.003 20 0 BDADRP CCN(CC[C@@H]1CCCC[NH2+]1)C[C@H]1CC[NH2+]C1 ZINC001236407947 979583739 /nfs/dbraw/zinc/58/37/39/979583739.db2.gz JROZLCUHPQOWOG-KBPBESRZSA-N 3 0 239.407 1.450 20 0 BDADRP C[C@H]1CN(CC[C@@H]2CCCC[NH2+]2)C[C@H](C)[NH2+]1 ZINC001236422971 979594182 /nfs/dbraw/zinc/59/41/82/979594182.db2.gz KUPIERAYPWIPHF-AVGNSLFASA-N 2 0 225.380 1.201 20 0 BDADRP CC(C)(C)CN(CC[NH3+])C1CC[NH2+]CC1 ZINC001236458076 979598965 /nfs/dbraw/zinc/59/89/65/979598965.db2.gz RBFIKWINSHGTCK-UHFFFAOYSA-N 2 0 213.369 1.045 20 0 BDADRP CC(C)N(C[C@@H]1CCCC[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC001236528399 979620024 /nfs/dbraw/zinc/62/00/24/979620024.db2.gz SDHIXWKWDQKLEW-QWHCGFSZSA-N 2 0 225.380 1.201 20 0 BDADRP CC[C@H](N)C[N@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236552672 979634566 /nfs/dbraw/zinc/63/45/66/979634566.db2.gz YUPWKAZUHSIFEY-IHRRRGAJSA-N 2 0 241.423 1.952 20 0 BDADRP CNCC[N@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551282 979634780 /nfs/dbraw/zinc/63/47/80/979634780.db2.gz NTWMKBXEKIKUQO-JOCQHMNTSA-N 2 0 227.396 1.434 20 0 BDADRP C[C@H](N)C[N@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551679 979635658 /nfs/dbraw/zinc/63/56/58/979635658.db2.gz KTMKMQZTEUGTMH-DRZSPHRISA-N 2 0 225.380 1.316 20 0 BDADRP C[C@]1(C[NH3+])CCCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC001206541715 979641584 /nfs/dbraw/zinc/64/15/84/979641584.db2.gz IFLYDCLYPCQZSA-ZIAGYGMSSA-N 3 0 239.407 1.437 20 0 BDADRP C[C@@]1(C[NH3+])CCCC[N@H+](CC23CC([NH3+])(C2)C3)C1 ZINC001206541454 979642298 /nfs/dbraw/zinc/64/22/98/979642298.db2.gz HRQGOAJBBIHBSN-HSBZDZAISA-N 3 0 237.391 1.319 20 0 BDADRP C[NH+](C)CC(C)(C)CN1CCC[C@@](C)([NH3+])CC1 ZINC001205255798 979739102 /nfs/dbraw/zinc/73/91/02/979739102.db2.gz KWYNLWZNKOBCDM-CQSZACIVSA-N 2 0 241.423 1.778 20 0 BDADRP C[C@]1([NH3+])CCC[N@H+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC001205257204 979757579 /nfs/dbraw/zinc/75/75/79/979757579.db2.gz UAXJDMVAHBAVBM-KGLIPLIRSA-N 3 0 239.407 1.579 20 0 BDADRP CC[C@H]([NH3+])C[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC001236861270 979765797 /nfs/dbraw/zinc/76/57/97/979765797.db2.gz YKRWCCOVUICNNV-RYUDHWBXSA-N 3 0 213.369 1.045 20 0 BDADRP CC[NH+]1C[C@H]2C[NH+](CCCCCO)C[C@@H]2C1 ZINC001236950271 979795905 /nfs/dbraw/zinc/79/59/05/979795905.db2.gz KXQVLVSFHHIKDX-STQMWFEESA-N 2 0 226.364 1.033 20 0 BDADRP CC[C@H](C)CN(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001236923079 979797916 /nfs/dbraw/zinc/79/79/16/979797916.db2.gz INOVGTQGYPGDRT-UONOGXRCSA-N 2 0 241.423 1.648 20 0 BDADRP CCCCOC(=O)[C@@H]1CC[N@H+](CCCC[NH3+])C1 ZINC001237016038 979803575 /nfs/dbraw/zinc/80/35/75/979803575.db2.gz NQTYDNZTWJSUAV-GFCCVEGCSA-N 2 0 242.363 1.391 20 0 BDADRP C[C@@]1([NH3+])CCC[N@H+](Cc2ccncc2)CC1 ZINC001205263829 979812967 /nfs/dbraw/zinc/81/29/67/979812967.db2.gz COPDLRICDLWEFJ-CYBMUJFWSA-N 2 0 219.332 1.785 20 0 BDADRP C[C@]1([NH3+])CCC[N@H+](Cc2cccc(=O)[nH]2)CC1 ZINC001205265680 979813990 /nfs/dbraw/zinc/81/39/90/979813990.db2.gz QQYWVCFYBFBIKY-ZDUSSCGKSA-N 2 0 235.331 1.491 20 0 BDADRP [NH3+]C[C@@H]1CC(F)(F)CN1CC[C@H]1CCCC[NH2+]1 ZINC001237108890 979819318 /nfs/dbraw/zinc/81/93/18/979819318.db2.gz UKZZQDCFKFTXJN-MNOVXSKESA-N 2 0 247.333 1.187 20 0 BDADRP CC[C@H]([NH3+])CN(C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237143470 979822097 /nfs/dbraw/zinc/82/20/97/979822097.db2.gz GBPHBSDDVJMGGH-AAEUAGOBSA-N 2 0 225.380 1.330 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCNC2=CCCC[C@H]21 ZINC001237219756 979852277 /nfs/dbraw/zinc/85/22/77/979852277.db2.gz OCWYORKFBMRAEM-GFCCVEGCSA-N 2 0 209.337 1.067 20 0 BDADRP C[C@H]([NH3+])CN1CC[N@@H+](C2CCCCC2)[C@@H](C)C1 ZINC001237249690 979855559 /nfs/dbraw/zinc/85/55/59/979855559.db2.gz QRECZNZFUSZZBB-STQMWFEESA-N 2 0 239.407 1.672 20 0 BDADRP [NH3+]CCCC[N@@H+]1C[C@@H]2CCCC(=O)[C@H]2C1 ZINC001237276418 979858483 /nfs/dbraw/zinc/85/84/83/979858483.db2.gz VQUNRHZROASYDF-QWRGUYRKSA-N 2 0 210.321 1.026 20 0 BDADRP [NH3+]CCN1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001237358275 979873258 /nfs/dbraw/zinc/87/32/58/979873258.db2.gz FJBOQIPEYCITIB-UHFFFAOYSA-N 2 0 231.343 1.040 20 0 BDADRP [NH3+][C@@H]1CCC12CC[NH+](CCCCCO)CC2 ZINC001237355441 979874866 /nfs/dbraw/zinc/87/48/66/979874866.db2.gz BHWQXDQTHWQHJW-GFCCVEGCSA-N 2 0 226.364 1.352 20 0 BDADRP C[NH+](C)CC1CC[NH+](Cc2c[nH]ccc2=O)CC1 ZINC001237841675 980090788 /nfs/dbraw/zinc/09/07/88/980090788.db2.gz XYLXMFPIRZUOAX-UHFFFAOYSA-N 2 0 249.358 1.149 20 0 BDADRP C[NH2+]Cc1cccc(CC[NH+](C)C)c1F ZINC001250161534 980119510 /nfs/dbraw/zinc/11/95/10/980119510.db2.gz AFAVFFRACDZFGE-UHFFFAOYSA-N 2 0 210.296 1.649 20 0 BDADRP CC(C)C[C@@H]([NH3+])CC(=O)NCC[C@@H](C)[NH+](C)C ZINC001343986561 980304420 /nfs/dbraw/zinc/30/44/20/980304420.db2.gz LASHNCNDHHWIJE-VXGBXAGGSA-N 2 0 243.395 1.206 20 0 BDADRP CC[C@@H](C)C[C@@H]([NH3+])C(=O)NCC[C@@H]([NH3+])C(C)C ZINC001344056989 980327700 /nfs/dbraw/zinc/32/77/00/980327700.db2.gz BERAAWPZTFVZOX-IJLUTSLNSA-N 2 0 243.395 1.240 20 0 BDADRP [NH3+]Cc1ccc(C2=CCC[NH2+]CC2)cc1 ZINC001238939715 980375596 /nfs/dbraw/zinc/37/55/96/980375596.db2.gz JVVBBXNQRNLGKK-UHFFFAOYSA-N 2 0 202.301 1.912 20 0 BDADRP [NH3+]Cc1cncc(-c2ccc3c[nH+]cn3c2)c1 ZINC001239797876 980935624 /nfs/dbraw/zinc/93/56/24/980935624.db2.gz XZFVCGPEOQGNEO-UHFFFAOYSA-N 2 0 224.267 1.855 20 0 BDADRP COC(C)(C)CC[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205545348 980944742 /nfs/dbraw/zinc/94/47/42/980944742.db2.gz DSIHWDXNMRSWOV-ZDUSSCGKSA-N 2 0 246.370 1.954 20 0 BDADRP COC(C)(C)CC[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205545347 980945469 /nfs/dbraw/zinc/94/54/69/980945469.db2.gz DSIHWDXNMRSWOV-CYBMUJFWSA-N 2 0 246.370 1.954 20 0 BDADRP CCC1(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)COC1 ZINC001205601314 981160056 /nfs/dbraw/zinc/16/00/56/981160056.db2.gz DKIXKXKCEVDXQU-CHWSQXEVSA-N 2 0 240.391 1.720 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2nccs2)CC[C@H]1C[NH3+] ZINC001205602217 981164190 /nfs/dbraw/zinc/16/41/90/981164190.db2.gz HSWPEODUTOBCAE-MNOVXSKESA-N 2 0 239.388 1.950 20 0 BDADRP C[NH+](C)[C@H]1CCC[C@H](Nc2nccnc2C[NH3+])C1 ZINC001348019623 981249613 /nfs/dbraw/zinc/24/96/13/981249613.db2.gz GJAYECXWZVYLGE-QWRGUYRKSA-N 2 0 249.362 1.220 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2cccnn2)CC[C@H]1C[NH3+] ZINC001205626548 981272888 /nfs/dbraw/zinc/27/28/88/981272888.db2.gz HBXWLCWHWXEKPY-NEPJUHHUSA-N 2 0 234.347 1.283 20 0 BDADRP [NH3+]Cc1ccnc(-c2ccc3c(c2)CC[NH2+]C3)c1 ZINC001240453168 981389677 /nfs/dbraw/zinc/38/96/77/981389677.db2.gz UZYLPWGHNFHMSB-UHFFFAOYSA-N 2 0 239.322 1.853 20 0 BDADRP [NH3+]Cc1cc(-c2ccc3c(c2)CC[NH2+]C3)ncn1 ZINC001240454357 981392596 /nfs/dbraw/zinc/39/25/96/981392596.db2.gz MSSJUQGFXXKDSR-UHFFFAOYSA-N 2 0 240.310 1.248 20 0 BDADRP CC1(C)CC[NH2+]CCN1C[C@H]1CCC[NH2+]C1 ZINC001348560892 981393785 /nfs/dbraw/zinc/39/37/85/981393785.db2.gz GQWNTJDCLULNBK-LBPRGKRZSA-N 2 0 225.380 1.060 20 0 BDADRP c1cc(C2=CC[NH2+]CC2)nc2c1CC[NH2+]C2 ZINC001240466199 981398955 /nfs/dbraw/zinc/39/89/55/981398955.db2.gz WDNBMMLOMUEAMZ-UHFFFAOYSA-N 2 0 215.300 1.104 20 0 BDADRP Cc1nc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c[nH]1 ZINC001205639303 981426821 /nfs/dbraw/zinc/42/68/21/981426821.db2.gz YRSNOBBXZMAMKR-ZYHUDNBSSA-N 2 0 236.363 1.525 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@H]1CCCC12CCOCC2 ZINC001348851972 981459454 /nfs/dbraw/zinc/45/94/54/981459454.db2.gz IYEQAWXESZGFET-OLZOCXBDSA-N 2 0 240.391 1.923 20 0 BDADRP [NH3+][C@H]1CCCC[C@H]1c1nc(C2([NH3+])CCC2)no1 ZINC001349303562 981527571 /nfs/dbraw/zinc/52/75/71/981527571.db2.gz WPPRQADMOSZXBH-BDAKNGLRSA-N 2 0 236.319 1.392 20 0 BDADRP C[C@]1(C[N@@H+]2CCC[C@@](C)(CO)C2)CC[NH2+]C1 ZINC001349321169 981529249 /nfs/dbraw/zinc/52/92/49/981529249.db2.gz YZYXXJNPHMZJQL-QWHCGFSZSA-N 2 0 226.364 1.080 20 0 BDADRP OC[C@]12CCC[C@H]1C[N@H+](CCC[NH2+]C1CC1)C2 ZINC001580884595 981692825 /nfs/dbraw/zinc/69/28/25/981692825.db2.gz IMBDBTWAMQEDCD-GXTWGEPZSA-N 2 0 238.375 1.223 20 0 BDADRP O[C@@H]1c2ccccc2C[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC001580885953 981707452 /nfs/dbraw/zinc/70/74/52/981707452.db2.gz SLXVZSYCTKEZDL-HUUCEWRRSA-N 2 0 246.354 1.234 20 0 BDADRP c1cc2n(n1)CC[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC001580892580 981727559 /nfs/dbraw/zinc/72/75/59/981727559.db2.gz XZSQQJVXWDUWFD-UHFFFAOYSA-N 2 0 234.347 1.088 20 0 BDADRP c1cnc([C@@H]2CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)cn1 ZINC001580896428 981727742 /nfs/dbraw/zinc/72/77/42/981727742.db2.gz BHEJDHXESMJBFD-QWHCGFSZSA-N 2 0 246.358 1.266 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC001350949503 982129647 /nfs/dbraw/zinc/12/96/47/982129647.db2.gz AFUDGKHHUKVTKI-JHJVBQTASA-N 2 0 236.363 1.107 20 0 BDADRP C[C@@H]1CC[C@@H](C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)O1 ZINC001196781677 982493075 /nfs/dbraw/zinc/49/30/75/982493075.db2.gz FZHWFNXGFMGCER-MQYQWHSLSA-N 2 0 238.375 1.437 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)O1 ZINC001196781679 982493808 /nfs/dbraw/zinc/49/38/08/982493808.db2.gz FZHWFNXGFMGCER-YIYPIFLZSA-N 2 0 238.375 1.437 20 0 BDADRP C[C@H]1CC[C@H](C[NH3+])N(Cc2ccc(C[NH3+])cc2)C1 ZINC001205832109 982689913 /nfs/dbraw/zinc/68/99/13/982689913.db2.gz ZMRLZEYZEIPNSF-SWLSCSKDSA-N 2 0 247.386 1.705 20 0 BDADRP CC(C)([NH3+])CCNC(=O)[C@@H]([NH3+])C1CCCCC1 ZINC001353127318 982710567 /nfs/dbraw/zinc/71/05/67/982710567.db2.gz QQLBMBPIGOILQD-NSHDSACASA-N 2 0 241.379 1.138 20 0 BDADRP c1nn(C2C[NH2+]C2)cc1-c1cccn2c[nH+]cc12 ZINC001241615721 982851661 /nfs/dbraw/zinc/85/16/61/982851661.db2.gz WQWKLEWZOZZPJB-UHFFFAOYSA-N 2 0 239.282 1.342 20 0 BDADRP C[C@@H]1CCN(CC2(C)CC[NH+](C)CC2)C[C@@H]1[NH3+] ZINC001205863215 982915749 /nfs/dbraw/zinc/91/57/49/982915749.db2.gz JYHYRVKFLMMBKE-OLZOCXBDSA-N 2 0 239.407 1.387 20 0 BDADRP c1cc(NC[C@@H]2CC[N@@H+]2C2CCOCC2)cc[nH+]1 ZINC001354040093 983122294 /nfs/dbraw/zinc/12/22/94/983122294.db2.gz HDOCHMJMWOGGFM-AWEZNQCLSA-N 2 0 247.342 1.169 20 0 BDADRP [NH3+]Cc1ccc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC001242023938 983233666 /nfs/dbraw/zinc/23/36/66/983233666.db2.gz LMQXSGAPLSQAPT-NEPJUHHUSA-N 2 0 215.300 1.448 20 0 BDADRP CC(C)[C@@H]([NH3+])C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001354657791 983340718 /nfs/dbraw/zinc/34/07/18/983340718.db2.gz DCWCALSNEBVXGT-GFCCVEGCSA-N 2 0 233.315 1.212 20 0 BDADRP C[NH+]1CCC2(C[NH+](CCC(F)(F)F)C2)CC1 ZINC001202352522 983635112 /nfs/dbraw/zinc/63/51/12/983635112.db2.gz JDTGPOVIMAMVEE-UHFFFAOYSA-N 2 0 236.281 1.966 20 0 BDADRP CCCC[C@@H](O)C[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001252106602 983644394 /nfs/dbraw/zinc/64/43/94/983644394.db2.gz AAPSBAXKTYTODH-CHWSQXEVSA-N 2 0 228.380 1.611 20 0 BDADRP C[C@H](C(=O)Nc1cccc2c1C[NH2+]C2)[NH+](C)C ZINC001358060558 983821148 /nfs/dbraw/zinc/82/11/48/983821148.db2.gz YJLTYFBTVLQCPD-SECBINFHSA-N 2 0 233.315 1.178 20 0 BDADRP [NH3+]CCCCCCC(=O)N1CC[C@@H](CC[NH3+])C1 ZINC001358249916 983841931 /nfs/dbraw/zinc/84/19/31/983841931.db2.gz HJYLCTYHIXXBQN-GFCCVEGCSA-N 2 0 241.379 1.093 20 0 BDADRP C[C@H]1C[NH+](CC2CC[NH+](C)CC2)C[C@H](C)N1 ZINC000202092101 984005266 /nfs/dbraw/zinc/00/52/66/984005266.db2.gz ZXXWWCIYRRMDKA-RYUDHWBXSA-N 2 0 225.380 1.010 20 0 BDADRP [NH3+]Cc1cc(-c2ccc3c(c2)C[NH2+]C3)ncn1 ZINC001242674046 984041983 /nfs/dbraw/zinc/04/19/83/984041983.db2.gz PLWIWYNPNIIBAH-UHFFFAOYSA-N 2 0 226.283 1.206 20 0 BDADRP CN1CCC[C@H]2C[N@H+](CC3CCOCC3)C[C@@H]21 ZINC001202597817 984106264 /nfs/dbraw/zinc/10/62/64/984106264.db2.gz GOJDVIFBKIOUSD-KBPBESRZSA-N 2 0 238.375 1.439 20 0 BDADRP C1C[C@@H]2[C@H](O1)[C@H]1CC[C@H]([NH2+]C3CC[NH2+]CC3)[C@@H]21 ZINC001574795438 984113359 /nfs/dbraw/zinc/11/33/59/984113359.db2.gz MWXLHOFBVFWNNC-QSLWVIQJSA-N 2 0 236.359 1.142 20 0 BDADRP C1[NH2+]CC12C[C@H]([NH2+][C@@H]1CC[C@@H]3CCC[C@H]13)CO2 ZINC001574817113 984119080 /nfs/dbraw/zinc/11/90/80/984119080.db2.gz RFSLGIXUMZQRIH-ZDEQEGDKSA-N 2 0 236.359 1.286 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)[C@H](C)[NH3+] ZINC001576105926 984155217 /nfs/dbraw/zinc/15/52/17/984155217.db2.gz XPOMNWWANJOKSH-KVYJJMQOSA-N 2 0 224.348 1.125 20 0 BDADRP C[C@H](C[C@H](C)O)[NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001576271301 984164382 /nfs/dbraw/zinc/16/43/82/984164382.db2.gz DOAZKCGTXYNURJ-YJBUHQLJSA-N 2 0 240.391 1.656 20 0 BDADRP C[C@H](O)C[C@H]1CCC[N@@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576272526 984165428 /nfs/dbraw/zinc/16/54/28/984165428.db2.gz LYDHRFYQWQZHNU-WUHRBBMRSA-N 2 0 226.364 1.349 20 0 BDADRP C[C@H](O)C[C@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC001576271072 984165537 /nfs/dbraw/zinc/16/55/37/984165537.db2.gz BWHSOZKDHUMHIP-MROQNXINSA-N 2 0 226.364 1.077 20 0 BDADRP C[NH+](C)CC1CC[NH+](Cc2ccc[nH]2)CC1 ZINC001204010979 984168918 /nfs/dbraw/zinc/16/89/18/984168918.db2.gz YVZPHWMRXLNCCF-UHFFFAOYSA-N 2 0 221.348 1.788 20 0 BDADRP C[C@@]1(C[NH2+][C@@H]2Cc3ccccc3[C@H]2O)CC[NH2+]C1 ZINC001576525252 984172077 /nfs/dbraw/zinc/17/20/77/984172077.db2.gz CTAYHQPPBPDTNW-RBSFLKMASA-N 2 0 246.354 1.234 20 0 BDADRP CCO[C@@]1(C)C[C@H]1[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001578161217 984205709 /nfs/dbraw/zinc/20/57/09/984205709.db2.gz MSBFBNIUTJXZQB-QHTHRSRISA-N 2 0 210.321 1.023 20 0 BDADRP CC[C@H]1[NH2+]CC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001578241813 984210670 /nfs/dbraw/zinc/21/06/70/984210670.db2.gz MWGLVLGJINWPJN-FQUUOJAGSA-N 2 0 237.391 1.343 20 0 BDADRP C[N@H+](C[C@H](O)CC1CCCC1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578442172 984212325 /nfs/dbraw/zinc/21/23/25/984212325.db2.gz OCZRVRSSSBHVMR-MQYQWHSLSA-N 2 0 238.375 1.077 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cnsc2)C1 ZINC001202750322 984213493 /nfs/dbraw/zinc/21/34/93/984213493.db2.gz QYHBKHWMRIWODY-LLVKDONJSA-N 2 0 239.388 1.965 20 0 BDADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@H]([NH3+])C2)[C@@H]1C ZINC001578803597 984229176 /nfs/dbraw/zinc/22/91/76/984229176.db2.gz UMECZCCYLKXHRI-IYKVGLELSA-N 2 0 240.347 1.044 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+]CCC1(CO)CCC1)C2 ZINC001580163463 984399332 /nfs/dbraw/zinc/39/93/32/984399332.db2.gz BITPIUNMTHXYIM-QWKFWESOSA-N 2 0 224.348 1.009 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+]CC1(CF)CCOCC1)C2 ZINC001580167401 984404602 /nfs/dbraw/zinc/40/46/02/984404602.db2.gz ZXYDNLOUBOSBCP-QWKFWESOSA-N 2 0 242.338 1.222 20 0 BDADRP [NH3+]C1CC([NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)C1 ZINC001580167212 984408969 /nfs/dbraw/zinc/40/89/69/984408969.db2.gz VSFPZFZFTVQPDL-FKZOYECMSA-N 2 0 247.342 1.381 20 0 BDADRP COCC[NH+]1CCC2(CCC[N@H+](C)C2)CC1 ZINC001274980216 984431786 /nfs/dbraw/zinc/43/17/86/984431786.db2.gz HHZYLQOPOUYUMU-UHFFFAOYSA-N 2 0 226.364 1.441 20 0 BDADRP C[N@H+]1CC[C@H]2C[NH+](C[C@@H]3CCOC3)C[C@H]2CC1 ZINC001275167662 984506888 /nfs/dbraw/zinc/50/68/88/984506888.db2.gz FWQOATCRBDJIRP-MELADBBJSA-N 2 0 238.375 1.297 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)C1 ZINC001580423033 984534711 /nfs/dbraw/zinc/53/47/11/984534711.db2.gz MOKDWOPEJYVHBV-VEGXAWMVSA-N 2 0 224.348 1.271 20 0 BDADRP C1=C(c2ccccc2N2CC[NH2+]CC2)C[NH2+]C1 ZINC001243111583 984577980 /nfs/dbraw/zinc/57/79/80/984577980.db2.gz SBWKRSXBQROAEL-UHFFFAOYSA-N 2 0 229.327 1.083 20 0 BDADRP C1=C(c2ccc([C@H]3CC[NH2+]C3)cc2)C[NH2+]C1 ZINC001243112281 984579822 /nfs/dbraw/zinc/57/98/22/984579822.db2.gz VRJVFVMFKCQQFJ-AWEZNQCLSA-N 2 0 214.312 1.750 20 0 BDADRP O[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001580884476 984616776 /nfs/dbraw/zinc/61/67/76/984616776.db2.gz CPKSUZRCJKMAGR-ZOLYEBIHSA-N 2 0 224.348 1.020 20 0 BDADRP OC[C@H]1C[C@@H]([NH2+]CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001580884970 984616994 /nfs/dbraw/zinc/61/69/94/984616994.db2.gz XOSIBCPORHNWNF-BZGXSOKISA-N 2 0 238.375 1.268 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC001577687584 984638598 /nfs/dbraw/zinc/63/85/98/984638598.db2.gz LICDGXQWMXFXAO-RWMBFGLXSA-N 3 0 227.396 1.434 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC001577697724 984643472 /nfs/dbraw/zinc/64/34/72/984643472.db2.gz RNXBSDDNTQGPKW-IJLUTSLNSA-N 2 0 227.396 1.432 20 0 BDADRP CC[N@H+](CCOc1ccccc1C)CC1C[NH2+]C1 ZINC001577725709 984675680 /nfs/dbraw/zinc/67/56/80/984675680.db2.gz LBBLUFMJVYLYFE-UHFFFAOYSA-N 2 0 248.370 1.915 20 0 BDADRP Cc1n[nH]cc1C[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001276067256 984809187 /nfs/dbraw/zinc/80/91/87/984809187.db2.gz DIUWZMBQVUQDRB-BETUJISGSA-N 2 0 248.374 1.492 20 0 BDADRP CCOC(=O)CCC[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC001577945402 984829669 /nfs/dbraw/zinc/82/96/69/984829669.db2.gz IBLMALNWDNQPNF-LLVKDONJSA-N 2 0 228.336 1.000 20 0 BDADRP CCOC1CC([N@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001578087956 984845256 /nfs/dbraw/zinc/84/52/56/984845256.db2.gz WTWIEHXZTHXPEZ-MRFVTOPCSA-N 2 0 240.391 1.874 20 0 BDADRP CCO[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)[NH3+] ZINC001578148790 984856540 /nfs/dbraw/zinc/85/65/40/984856540.db2.gz JVFWOYRQZFMYBV-HBNTYKKESA-N 2 0 200.326 1.271 20 0 BDADRP CCO[C@@H]1CCC[C@H]1[NH2+]C[C@@]12C[C@@H]1C[NH2+]C2 ZINC001578151301 984858886 /nfs/dbraw/zinc/85/88/86/984858886.db2.gz BCDUYNLSABAWBE-LPWJVIDDSA-N 2 0 224.348 1.143 20 0 BDADRP CCOc1cc(C[NH2+][C@H]2C[C@H]([NH3+])C2)ccc1O ZINC001578168365 984867140 /nfs/dbraw/zinc/86/71/40/984867140.db2.gz KEZQLHITDVVIBR-XYPYZODXSA-N 2 0 236.315 1.370 20 0 BDADRP CCOc1cncc(C[NH2+]C[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC001578203994 984869764 /nfs/dbraw/zinc/86/97/64/984869764.db2.gz OBZMGCZHUKCPLK-WCQYABFASA-N 2 0 249.358 1.697 20 0 BDADRP CC[C@@H]1OCC[C@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC001578228994 984870154 /nfs/dbraw/zinc/87/01/54/984870154.db2.gz PULSXYVZLUCRQA-UTUOFQBUSA-N 2 0 212.337 1.143 20 0 BDADRP CC[C@@H]1CN(C(=O)CCC(C)(C)[NH3+])C[C@H](C)[NH2+]1 ZINC001578227212 984876944 /nfs/dbraw/zinc/87/69/44/984876944.db2.gz ZPVVCYKLFVCONZ-WDEREUQCSA-N 2 0 241.379 1.103 20 0 BDADRP CC1CC(C[NH2+]CC2CC[NH+](C)CC2)C1 ZINC000691884606 984889755 /nfs/dbraw/zinc/88/97/55/984889755.db2.gz CDPSRDQQSLANIV-UHFFFAOYSA-N 2 0 210.365 1.964 20 0 BDADRP CC[C@H]1[NH2+]CC[C@@H]1[NH2+][C@@H]1CCOC[C@H]1C ZINC001578241685 984895303 /nfs/dbraw/zinc/89/53/03/984895303.db2.gz IGKBNWVCIHCBAX-KKOKHZNYSA-N 2 0 212.337 1.142 20 0 BDADRP CCc1nn(C)cc1C[NH2+]C1CC2(CC([NH3+])C2)C1 ZINC001578299049 984957110 /nfs/dbraw/zinc/95/71/10/984957110.db2.gz KLBALKYEEZVYIQ-UHFFFAOYSA-N 2 0 248.374 1.342 20 0 BDADRP CCn1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)n1 ZINC001578353610 984995155 /nfs/dbraw/zinc/99/51/55/984995155.db2.gz MUFDPBBSUPKSLJ-GFCCVEGCSA-N 2 0 234.347 1.135 20 0 BDADRP CC[C@@H](C)[NH+]1CCN(CC[NH+](CC)CC)CC1 ZINC001257436574 985010081 /nfs/dbraw/zinc/01/00/81/985010081.db2.gz RTBIBJCLPFIBDM-CQSZACIVSA-N 2 0 241.423 1.744 20 0 BDADRP CC[C@H](C)[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001257444257 985029920 /nfs/dbraw/zinc/02/99/20/985029920.db2.gz ICDAZSWURHBDRS-MELADBBJSA-N 2 0 239.407 1.495 20 0 BDADRP C[N@@H+](CC(=O)OC(C)(C)C)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578437849 985064202 /nfs/dbraw/zinc/06/42/02/985064202.db2.gz ZIFCJQBBFIVDCR-WDEREUQCSA-N 2 0 242.363 1.387 20 0 BDADRP C[N@H+](CC1CC2(CCC2)C1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578448094 985082629 /nfs/dbraw/zinc/08/26/29/985082629.db2.gz KIZKRUVEXALUNG-ITGUQSILSA-N 2 0 220.360 1.716 20 0 BDADRP C[C@@H](CN[C@@H](C)C1C[NH2+]C1)[NH+]1CCCCC1 ZINC000686221730 985090652 /nfs/dbraw/zinc/09/06/52/985090652.db2.gz XQSQJBUPNDVBCQ-RYUDHWBXSA-N 2 0 225.380 1.058 20 0 BDADRP C[N@H+](CCCCCO)C[C@H]1CC[C@H](C[NH3+])CC1 ZINC001578465561 985097654 /nfs/dbraw/zinc/09/76/54/985097654.db2.gz ANLAOFKMNWQRGL-HDJSIYSDSA-N 2 0 242.407 1.846 20 0 BDADRP CN(CC[N@H+](C)Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC001578470166 985105918 /nfs/dbraw/zinc/10/59/18/985105918.db2.gz QXSWSEGYRLVAQW-OAHLLOKOSA-N 2 0 247.386 1.412 20 0 BDADRP C[N@H+](CCOC(C)(C)C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000690036341 985114741 /nfs/dbraw/zinc/11/47/41/985114741.db2.gz YRKNMNMOKGSSQL-NEPJUHHUSA-N 2 0 228.380 1.861 20 0 BDADRP C[N@@H+](Cc1cc2n(n1)CCC2)CC1CC[NH2+]CC1 ZINC001578486095 985116555 /nfs/dbraw/zinc/11/65/55/985116555.db2.gz UOLDQXKTULKRPA-UHFFFAOYSA-N 2 0 248.374 1.261 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@@H]2C1 ZINC001578520350 985136494 /nfs/dbraw/zinc/13/64/94/985136494.db2.gz ANHBHSXNTZAVFA-WRQLNJJISA-N 2 0 249.402 1.199 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H](NCC[NH2+]C(C)(C)C)[C@H]2C1 ZINC001578520762 985141921 /nfs/dbraw/zinc/14/19/21/985141921.db2.gz GHUVHRXMYAXNRS-AVGNSLFASA-N 2 0 239.407 1.304 20 0 BDADRP CN1CC[C@@H]1C[NH2+]C[C@@H]([NH3+])CCC(C)(C)C ZINC001578526063 985148820 /nfs/dbraw/zinc/14/88/20/985148820.db2.gz YMZOVWOAICALTI-NWDGAFQWSA-N 2 0 227.396 1.434 20 0 BDADRP C[N@@H+]1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1(C)C ZINC001578525306 985150500 /nfs/dbraw/zinc/15/05/00/985150500.db2.gz VFDVTFOKRXFGMA-MROQNXINSA-N 2 0 237.391 1.342 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CC[C@H]3CC[C@]32CN)CC1 ZINC001578524422 985152246 /nfs/dbraw/zinc/15/22/46/985152246.db2.gz WFJWDJPPZJODGG-KGLIPLIRSA-N 2 0 237.391 1.141 20 0 BDADRP C[N@@H+]1CCC[C@H]1CCN[C@H]1CC[NH2+]C12CCC2 ZINC001578528723 985155589 /nfs/dbraw/zinc/15/55/89/985155589.db2.gz KOKLTRBQLWACQW-STQMWFEESA-N 2 0 237.391 1.345 20 0 BDADRP C[NH2+]C[C@@H](C)C(=O)NCc1c[nH]c(C(C)C)n1 ZINC001578620357 985230595 /nfs/dbraw/zinc/23/05/95/985230595.db2.gz FDKDTAKESXGDHI-SECBINFHSA-N 2 0 238.335 1.005 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc2c(c1)C[C@H](C)O2 ZINC001578626735 985240977 /nfs/dbraw/zinc/24/09/77/985240977.db2.gz GURYEEGTQVKLEP-NEPJUHHUSA-N 2 0 248.370 1.955 20 0 BDADRP C[NH2+]C[C@H](C)[NH2+][C@H]1CCC[C@@H](SC)C1 ZINC001578638366 985245377 /nfs/dbraw/zinc/24/53/77/985245377.db2.gz MLIMXXDHWLJRNX-GARJFASQSA-N 2 0 216.394 1.858 20 0 BDADRP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)CC(C)(C)CC(=O)OC ZINC001578638547 985247679 /nfs/dbraw/zinc/24/76/79/985247679.db2.gz PGTFEWIHKQQGLX-WDEREUQCSA-N 2 0 244.379 1.552 20 0 BDADRP CO[C@@H]1CC[C@H](C)[N@H+](CC2CC[NH2+]CC2)C1 ZINC000687252865 985272682 /nfs/dbraw/zinc/27/26/82/985272682.db2.gz ASFAOCSKIYOHFS-WCQYABFASA-N 2 0 226.364 1.485 20 0 BDADRP CO[C@H]1CC[C@@H](C)[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000687255868 985279916 /nfs/dbraw/zinc/27/99/16/985279916.db2.gz UEWPGYTXVMDBIE-OCCSQVGLSA-N 2 0 240.391 1.875 20 0 BDADRP C[NH2+]CCC[N@@H+]1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1 ZINC001578687436 985296276 /nfs/dbraw/zinc/29/62/76/985296276.db2.gz YSZAPJJWIDNYKQ-RFQIPJPRSA-N 2 0 220.360 1.740 20 0 BDADRP C[NH2+]CCN(C)CC[N@H+](C)Cc1ccccc1 ZINC001578703907 985298924 /nfs/dbraw/zinc/29/89/24/985298924.db2.gz INBBNFGROOIYCC-UHFFFAOYSA-N 2 0 235.375 1.270 20 0 BDADRP C[C@H](C[NH3+])C[N@H+](C)C1CCC2(COC2)CC1 ZINC001257900957 985300964 /nfs/dbraw/zinc/30/09/64/985300964.db2.gz RMUZOEPOFVZZTD-LLVKDONJSA-N 2 0 226.364 1.472 20 0 BDADRP C[C@@H](C[NH3+])C[N@H+](C)C1CCC2(COC2)CC1 ZINC001257900958 985304500 /nfs/dbraw/zinc/30/45/00/985304500.db2.gz RMUZOEPOFVZZTD-NSHDSACASA-N 2 0 226.364 1.472 20 0 BDADRP C[NH2+][C@@H](CC(C)C)C(=O)NCC[NH2+]C(C)(C)C ZINC001578752990 985318166 /nfs/dbraw/zinc/31/81/66/985318166.db2.gz DNQPACAZKJXHPL-NSHDSACASA-N 2 0 243.395 1.125 20 0 BDADRP CNc1ccccc1C[NH+]1CCC2(C[NH2+]C2)CC1 ZINC001578763092 985325633 /nfs/dbraw/zinc/32/56/33/985325633.db2.gz AZYVHQXXVNFVDB-UHFFFAOYSA-N 2 0 245.370 1.914 20 0 BDADRP COC(=O)[C@@H](C[NH2+]C[C@H]1C[C@@H]([NH3+])C1)CC(C)C ZINC001578774647 985341023 /nfs/dbraw/zinc/34/10/23/985341023.db2.gz QGUPUNAXOWDYML-UTUOFQBUSA-N 2 0 242.363 1.149 20 0 BDADRP COC(=O)[C@]1(C)CCC[N@@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578847710 985432010 /nfs/dbraw/zinc/43/20/10/985432010.db2.gz VNWVVBZJSRRQSM-LOWVWBTDSA-N 2 0 240.347 1.141 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC001578897775 985435783 /nfs/dbraw/zinc/43/57/83/985435783.db2.gz YQZHIAXYGKNBSX-QCLAVDOMSA-N 2 0 200.326 1.125 20 0 BDADRP CCCC[NH+]1CCC([NH2+][C@H]2COC[C@@H]2C)CC1 ZINC000688026633 985504430 /nfs/dbraw/zinc/50/44/30/985504430.db2.gz WASNEEUGQPWJDM-JSGCOSHPSA-N 2 0 240.391 1.875 20 0 BDADRP CO[C@@H](C[NH2+][C@H]1CC12CC[NH2+]CC2)CC(C)C ZINC001578912962 985512925 /nfs/dbraw/zinc/51/29/25/985512925.db2.gz PIYKKGVIDHCVJQ-OLZOCXBDSA-N 2 0 240.391 1.779 20 0 BDADRP COC1(CC[N@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCC1 ZINC001578927083 985521357 /nfs/dbraw/zinc/52/13/57/985521357.db2.gz SBLKIOMWPMSTDE-GDNZZTSVSA-N 2 0 224.348 1.095 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H]2COC[C@H]2C)CC1 ZINC000688048755 985531737 /nfs/dbraw/zinc/53/17/37/985531737.db2.gz OOEAZZHIVGTTCC-DGCLKSJQSA-N 2 0 226.364 1.485 20 0 BDADRP COC1(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CCC1 ZINC001578929083 985539018 /nfs/dbraw/zinc/53/90/18/985539018.db2.gz CAIZVNMWSJTQNP-JOCQHMNTSA-N 2 0 240.391 1.910 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]([NH3+])C2)C12CCC2 ZINC001578935841 985540912 /nfs/dbraw/zinc/54/09/12/985540912.db2.gz LHACVNJMVCAWTD-XWLWVQCSSA-N 2 0 210.321 1.023 20 0 BDADRP C[C@@H]1COC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000688053434 985542043 /nfs/dbraw/zinc/54/20/43/985542043.db2.gz NUJGDQGUDAVCPG-VOAKCMCISA-N 2 0 224.348 1.238 20 0 BDADRP COC[C@@H](C[NH2+]C1CC2(C[C@@H]2[NH3+])C1)C(C)C ZINC001578961374 985588190 /nfs/dbraw/zinc/58/81/90/985588190.db2.gz IZIGYNIQIWEGBV-IGJPJIBNSA-N 2 0 226.364 1.374 20 0 BDADRP COCC1CCC([NH2+][C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001578986789 985613490 /nfs/dbraw/zinc/61/34/90/985613490.db2.gz PMTDFQBNVIKQMY-NGMURSQQSA-N 2 0 212.337 1.271 20 0 BDADRP c1cc(C2=C[NH2+]CCC2)cc2c1C1(C[NH2+]C1)OC2 ZINC001243951579 985654719 /nfs/dbraw/zinc/65/47/19/985654719.db2.gz IFYWKKSAOKAUOT-UHFFFAOYSA-N 2 0 242.322 1.740 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+]C[C@H](C)c1ccncc1 ZINC001579002023 985655002 /nfs/dbraw/zinc/65/50/02/985655002.db2.gz NASZETDOYULYHV-AAEUAGOBSA-N 2 0 237.347 1.139 20 0 BDADRP COCC[C@@H]([NH3+])C[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC001579003917 985659994 /nfs/dbraw/zinc/65/99/94/985659994.db2.gz NVFHNZCLEPLDRX-XQQFMLRXSA-N 2 0 226.364 1.376 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+]C[C@H]1CCC[C@@H]1C ZINC001579003622 985664540 /nfs/dbraw/zinc/66/45/40/985664540.db2.gz KDCMVMBWDXHXNU-TUAOUCFPSA-N 2 0 214.353 1.376 20 0 BDADRP COCCCC1(C[NH2+]C[C@H]2C[C@H]([NH3+])C2)CCC1 ZINC001579013231 985672718 /nfs/dbraw/zinc/67/27/18/985672718.db2.gz YDMSLOUNWKESBK-JOCQHMNTSA-N 2 0 240.391 1.910 20 0 BDADRP C[N@H+](CCc1nccs1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000688722841 985715197 /nfs/dbraw/zinc/71/51/97/985715197.db2.gz ZQVWUMXOZCILTO-AOOOYVTPSA-N 2 0 225.361 1.355 20 0 BDADRP CO[C@@H]1C[NH2+]C[C@H]1N[C@H](C)C1CCCC1 ZINC001579123820 985735738 /nfs/dbraw/zinc/73/57/38/985735738.db2.gz UFFKNGDTVGPHJR-YUSALJHKSA-N 2 0 212.337 1.142 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000689031137 985788740 /nfs/dbraw/zinc/78/87/40/985788740.db2.gz XUYZEQSPWXVPQF-NXEZZACHSA-N 2 0 234.290 1.081 20 0 BDADRP CO[C@H]1C[C@@H]([N@H+](C)CC(C)(C)C[NH3+])C1 ZINC001579133705 985810896 /nfs/dbraw/zinc/81/08/96/985810896.db2.gz VIHNRBIREDBEAN-AOOOYVTPSA-N 2 0 200.326 1.081 20 0 BDADRP COc1ccc(CC[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)cn1 ZINC001579209108 985818438 /nfs/dbraw/zinc/81/84/38/985818438.db2.gz IPYAOWTWPQIIBG-NEPJUHHUSA-N 2 0 249.358 1.348 20 0 BDADRP COC(=O)CC[C@H](C)[N@H+](C)C1CCC([NH3+])CC1 ZINC001258356174 985836904 /nfs/dbraw/zinc/83/69/04/985836904.db2.gz RNCYLVMUQOVECH-UNXYVOJBSA-N 2 0 242.363 1.530 20 0 BDADRP COc1cncc(C[NH2+]C[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC001579321764 985842981 /nfs/dbraw/zinc/84/29/81/985842981.db2.gz OSSGWNZTVGYPHV-CMPLNLGQSA-N 2 0 235.331 1.307 20 0 BDADRP C[S@](=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])C2)C1 ZINC001579355642 985853048 /nfs/dbraw/zinc/85/30/48/985853048.db2.gz NYWCVRBTXYKGAZ-ZKVGZHBLSA-N 2 0 244.404 1.003 20 0 BDADRP C[S@](=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC001579354441 985853554 /nfs/dbraw/zinc/85/35/54/985853554.db2.gz CYMZYGPCAKSDDK-ZKVGZHBLSA-N 2 0 244.404 1.146 20 0 BDADRP CSC1(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC001579365887 985859540 /nfs/dbraw/zinc/85/95/40/985859540.db2.gz WGFJIERNBYCTEJ-JQWIXIFHSA-N 2 0 226.389 1.695 20 0 BDADRP C[C@@H]1CC=CC[C@H]1[NH2+]CCC1([NH3+])CCOCC1 ZINC001579420413 985899884 /nfs/dbraw/zinc/89/98/84/985899884.db2.gz FXRBMAVGDCFHNW-CHWSQXEVSA-N 2 0 238.375 1.829 20 0 BDADRP C[C@@H]1C[NH+](CC[C@@H]2CC[NH2+]C2)C[C@@H](C)C1=O ZINC001579440087 985929040 /nfs/dbraw/zinc/92/90/40/985929040.db2.gz OBQCHXDQRLDQRW-UTUOFQBUSA-N 2 0 224.348 1.143 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1CC1(Cl)Cl ZINC001579459637 985947421 /nfs/dbraw/zinc/94/74/21/985947421.db2.gz NOEHEVCHRRDAEP-VGMNWLOBSA-N 2 0 237.174 1.625 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@]1(C)CCCO ZINC001579454397 985940178 /nfs/dbraw/zinc/94/01/78/985940178.db2.gz AIRJZPUIXIJIJS-HZSPNIEDSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC001579454714 985946353 /nfs/dbraw/zinc/94/63/53/985946353.db2.gz XMGIJTUYPUXTQP-ZOBORPQBSA-N 2 0 240.391 1.325 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1(C2CC2)CCOCC1 ZINC001579459673 985958688 /nfs/dbraw/zinc/95/86/88/985958688.db2.gz PIPQMGYBLJEUQL-NEPJUHHUSA-N 2 0 238.375 1.391 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C[C@H]1CC1(Cl)Cl ZINC001579459636 985958821 /nfs/dbraw/zinc/95/88/21/985958821.db2.gz NOEHEVCHRRDAEP-HRDYMLBCSA-N 2 0 237.174 1.625 20 0 BDADRP C[C@@]12CSC[C@@H]1C[N@H+](CC1(C[NH3+])CCC1)C2 ZINC001579475823 985988714 /nfs/dbraw/zinc/98/87/14/985988714.db2.gz VMUMLSCCWFFMDT-NWDGAFQWSA-N 2 0 240.416 1.800 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@H](C)C1CCOCC1 ZINC001327841360 986015113 /nfs/dbraw/zinc/01/51/13/986015113.db2.gz WEFFGDOOOZLESW-GHMZBOCLSA-N 2 0 214.353 1.389 20 0 BDADRP Cc1cn(C)nc1C[NH2+]C1CC2(CC([NH3+])C2)C1 ZINC001579819441 986240006 /nfs/dbraw/zinc/24/00/06/986240006.db2.gz WPPRRRYVZZCQJI-UHFFFAOYSA-N 2 0 234.347 1.088 20 0 BDADRP C[NH+](C)C[C@H]1CC[N@H+](C[C@]2(C)CCCCO2)C1 ZINC001462084305 986282438 /nfs/dbraw/zinc/28/24/38/986282438.db2.gz ZYIIXTPUGCUMDK-KGLIPLIRSA-N 2 0 240.391 1.829 20 0 BDADRP CC[NH+]1CCC(C[NH2+]C[C@@H]2CC(C)=NO2)CC1 ZINC001462465115 986383430 /nfs/dbraw/zinc/38/34/30/986383430.db2.gz DUNHLGDBECXZIA-ZDUSSCGKSA-N 2 0 239.363 1.473 20 0 BDADRP Cn1nc(C[NH2+]C2CC3(C[C@@H]3[NH3+])C2)cc1C1CC1 ZINC001579994588 986394118 /nfs/dbraw/zinc/39/41/18/986394118.db2.gz ZWGNFFHPBSHLKZ-QRMWWUJWSA-N 2 0 246.358 1.267 20 0 BDADRP C([NH2+]C[C@@H]1C[NH+]2CCC1CC2)[C@H]1CCSC1 ZINC001462634070 986471531 /nfs/dbraw/zinc/47/15/31/986471531.db2.gz GWLIHICNOJGNPI-DGCLKSJQSA-N 2 0 240.416 1.671 20 0 BDADRP CO[C@H](C)C[N@@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001462656275 986486912 /nfs/dbraw/zinc/48/69/12/986486912.db2.gz WJZPPWVSAYOUQX-RQJABVFESA-N 2 0 240.391 1.683 20 0 BDADRP [NH3+]C1CC([NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)C1 ZINC001580164715 986634309 /nfs/dbraw/zinc/63/43/09/986634309.db2.gz IHHNMSFUPWDNES-YFTKGUKSSA-N 2 0 247.342 1.381 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+]CC[C@H]1CCCOC1)C2 ZINC001580163856 986634369 /nfs/dbraw/zinc/63/43/69/986634369.db2.gz FAHVSQZKXUXIGQ-CQLXCSJHSA-N 2 0 224.348 1.273 20 0 BDADRP [NH3+]C1CC2(C1)CC([NH2+][C@H]1CCCOC1)C2 ZINC001580164597 986636700 /nfs/dbraw/zinc/63/67/00/986636700.db2.gz AHMBMCRZBPBFGO-GHNGPNRHSA-N 2 0 210.321 1.025 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](O)C23CCC3)C12CCC2 ZINC001580165372 986637229 /nfs/dbraw/zinc/63/72/29/986637229.db2.gz UPNRGUAOVAUTDW-WRWGMCAJSA-N 2 0 236.359 1.149 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+][C@@H]1CCCC(F)(F)[C@H]1O)C2 ZINC001580167028 986640639 /nfs/dbraw/zinc/64/06/39/986640639.db2.gz SKQKMCSISJASNY-JNUOMVRZSA-N 2 0 246.301 1.005 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+]CCC1CC(F)(F)C1)C2 ZINC001580167332 986640945 /nfs/dbraw/zinc/64/09/45/986640945.db2.gz YHIUXIIFAIRYJK-HSOILSAZSA-N 2 0 230.302 1.891 20 0 BDADRP [NH3+][C@H]1CC12CC([NH2+]Cc1cccc3c1OCC3)C2 ZINC001580165849 986643391 /nfs/dbraw/zinc/64/33/91/986643391.db2.gz MWUKXPMMQZWQFM-OWYJLGKBSA-N 2 0 244.338 1.591 20 0 BDADRP C[C@H]1C[N@@H+]([C@H]2CCC[NH+](C)CC2)CCCO1 ZINC001254516546 986649402 /nfs/dbraw/zinc/64/94/02/986649402.db2.gz NVKAWFHICJKMJO-STQMWFEESA-N 2 0 226.364 1.582 20 0 BDADRP C[C@@H]1CC[N@@H+]([C@@H]2CCC[NH+](C)CC2)C[C@@H]1O ZINC001254517064 986654640 /nfs/dbraw/zinc/65/46/40/986654640.db2.gz RTDCHAXKPOOWOS-UPJWGTAASA-N 2 0 226.364 1.173 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH+]2CCCC[C@](C)(O)C2)CC1 ZINC001254517336 986656135 /nfs/dbraw/zinc/65/61/35/986656135.db2.gz URAQEEIRTRYXCQ-KGLIPLIRSA-N 2 0 240.391 1.708 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH+]2CCCC[C@](C)(O)C2)CC1 ZINC001254517335 986658697 /nfs/dbraw/zinc/65/86/97/986658697.db2.gz URAQEEIRTRYXCQ-KBPBESRZSA-N 2 0 240.391 1.708 20 0 BDADRP [NH3+]C[C@@]12C[N@H+](CCc3cn[nH]c3)C[C@@H]1CCCC2 ZINC001580256687 986708171 /nfs/dbraw/zinc/70/81/71/986708171.db2.gz WYMBXYUZQYLQHQ-KBPBESRZSA-N 2 0 248.374 1.403 20 0 BDADRP [NH3+]C[C@]12C[N@H+](CCn3ccnc3)C[C@@H]1CCCC2 ZINC001580256454 986710659 /nfs/dbraw/zinc/71/06/59/986710659.db2.gz ULPQVVXOOSYMTQ-UONOGXRCSA-N 2 0 248.374 1.334 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cn(C3CC3)cn2)C1 ZINC001580288133 986733988 /nfs/dbraw/zinc/73/39/88/986733988.db2.gz BXVSUSGOPFMBCC-LLVKDONJSA-N 2 0 234.347 1.389 20 0 BDADRP C[C@@H](C[NH3+])CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000381594274 986737334 /nfs/dbraw/zinc/73/73/34/986737334.db2.gz DZVLTJTXYQIRTR-WODVXLOZSA-N 2 0 225.380 1.186 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC001580430695 986848491 /nfs/dbraw/zinc/84/84/91/986848491.db2.gz VTGMMQFSHSQFNP-BGZDPUMWSA-N 2 0 238.253 1.176 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC001580430786 986848751 /nfs/dbraw/zinc/84/87/51/986848751.db2.gz ZPOXHQZKSCVOSD-NWBUJAPZSA-N 2 0 236.359 1.413 20 0 BDADRP CC(C)N(C[C@@H](C)[NH3+])[C@@H]1CCC[NH2+]CC1 ZINC001206583029 986899694 /nfs/dbraw/zinc/89/96/94/986899694.db2.gz RVUMKSRSOSQZII-VXGBXAGGSA-N 2 0 213.369 1.186 20 0 BDADRP C[N@@H+]1CC[C@@H](n2ccc3cccc(C[NH3+])c32)C1 ZINC001255419373 986942322 /nfs/dbraw/zinc/94/23/22/986942322.db2.gz GYEDZPJOOPSAON-CYBMUJFWSA-N 2 0 229.327 1.977 20 0 BDADRP [NH3+]Cc1cnccc1-c1ccc2c(c1)C[NH2+]CC2 ZINC001245557691 986946359 /nfs/dbraw/zinc/94/63/59/986946359.db2.gz HYUHQQCXNISRBH-UHFFFAOYSA-N 2 0 239.322 1.853 20 0 BDADRP CC(C)[N@H+](C)[C@H]1CCN([C@H]2CC[NH+](C)C2)C1 ZINC001255441040 986960775 /nfs/dbraw/zinc/96/07/75/986960775.db2.gz KFUROTQXKMMROZ-STQMWFEESA-N 2 0 225.380 1.105 20 0 BDADRP CN1CCC[C@H]([N@H+](C)CC2CC[NH+](C)CC2)C1 ZINC001255486655 986986961 /nfs/dbraw/zinc/98/69/61/986986961.db2.gz MYCCRIQIIJXCHI-AWEZNQCLSA-N 2 0 239.407 1.354 20 0 BDADRP COC[C@H](C)n1cc(CC[NH3+])c2c[nH+]ccc21 ZINC001255563637 987012925 /nfs/dbraw/zinc/01/29/25/987012925.db2.gz PLWORJZYISOZBR-JTQLQIEISA-N 2 0 233.315 1.745 20 0 BDADRP COC[C@@H](C)[NH2+][C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001255562677 987015953 /nfs/dbraw/zinc/01/59/53/987015953.db2.gz MSDJJIZWIFEOQB-IJLUTSLNSA-N 2 0 214.353 1.484 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)n1c(C)cnc1C[NH3+] ZINC001255945632 987082987 /nfs/dbraw/zinc/08/29/87/987082987.db2.gz HKUYNODORMCBJP-LLVKDONJSA-N 2 0 238.379 1.943 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N(C)CC[NH+](C)C ZINC001255954443 987100640 /nfs/dbraw/zinc/10/06/40/987100640.db2.gz DQYJLSUQSXRMRP-CYBMUJFWSA-N 2 0 229.412 1.600 20 0 BDADRP Nc1cc[nH+]cc1-c1ccc2c[nH+]cn2c1 ZINC001245895728 987112554 /nfs/dbraw/zinc/11/25/54/987112554.db2.gz BCXKDHXYLHGUIU-UHFFFAOYSA-N 2 0 210.240 1.809 20 0 BDADRP CC(C)(C)OC[C@H](O)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC001245994443 987276255 /nfs/dbraw/zinc/27/62/55/987276255.db2.gz KPEBDLNAKXIVQQ-QJPTWQEYSA-N 2 0 244.379 1.022 20 0 BDADRP CC[C@@H](O)C[NH2+][C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001246005851 987283977 /nfs/dbraw/zinc/28/39/77/987283977.db2.gz ZBAVXTKZMPARRS-UTUOFQBUSA-N 2 0 212.337 1.151 20 0 BDADRP C[C@@H]1CC[N@H+](CC(C)(C)O)CC[C@H]1C[NH3+] ZINC001246024155 987301981 /nfs/dbraw/zinc/30/19/81/987301981.db2.gz QRGMLDSVUXOEHB-MNOVXSKESA-N 2 0 214.353 1.064 20 0 BDADRP CCC[C@H](O)C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246020754 987308403 /nfs/dbraw/zinc/30/84/03/987308403.db2.gz LSMZBBRCHVRZRU-RYUDHWBXSA-N 2 0 232.343 1.300 20 0 BDADRP CCC[C@H](O)C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246020203 987309270 /nfs/dbraw/zinc/30/92/70/987309270.db2.gz IJJYACPZOZEWAZ-QWHCGFSZSA-N 2 0 228.380 1.598 20 0 BDADRP CCC[C@H](O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001246021626 987312520 /nfs/dbraw/zinc/31/25/20/987312520.db2.gz KYMGBVOZWBEJCS-XQQFMLRXSA-N 2 0 228.380 1.454 20 0 BDADRP CO[C@H](C)C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693763493 987315243 /nfs/dbraw/zinc/31/52/43/987315243.db2.gz PLJSLOUCZBIQGI-WISYIIOYSA-N 2 0 226.364 1.388 20 0 BDADRP CC[NH+](CC)CCC[NH2+]C(C)(C)CC(=O)OC ZINC000694036194 987318432 /nfs/dbraw/zinc/31/84/32/987318432.db2.gz OOJOROZKWOQFFX-UHFFFAOYSA-N 2 0 244.379 1.650 20 0 BDADRP CC(C)[C@H](O)C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246023981 987319200 /nfs/dbraw/zinc/31/92/00/987319200.db2.gz TWGWLVHZEJEDIN-CHWSQXEVSA-N 2 0 228.380 1.454 20 0 BDADRP C[N@H+](C[C@@H]1CCCC[NH2+]C1)[C@H]1CCOC1 ZINC000697039823 987346095 /nfs/dbraw/zinc/34/60/95/987346095.db2.gz HHNDGZFBDVNTNX-NEPJUHHUSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H]1CN(C[C@H]2CCCC[NH2+]C2)C[C@H](C)O1 ZINC000697052758 987348533 /nfs/dbraw/zinc/34/85/33/987348533.db2.gz QKLAJFSSKXNBER-XQQFMLRXSA-N 2 0 226.364 1.485 20 0 BDADRP COCC[N@H+](CC(C)C)C[C@@H]1CCCC[NH2+]C1 ZINC000697088623 987350471 /nfs/dbraw/zinc/35/04/71/987350471.db2.gz USMWLUNYJPKJLX-CQSZACIVSA-N 2 0 242.407 1.981 20 0 BDADRP Fc1ccccc1C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246072676 987358960 /nfs/dbraw/zinc/35/89/60/987358960.db2.gz QYUJFMQZXBYDTF-LBPRGKRZSA-N 2 0 249.333 1.009 20 0 BDADRP CC[C@@H]1C[C@@H](NCC2([NH3+])CCCC2)CC[NH2+]1 ZINC001246075754 987363476 /nfs/dbraw/zinc/36/34/76/987363476.db2.gz MPXDXKNGAWIMQF-NEPJUHHUSA-N 2 0 225.380 1.378 20 0 BDADRP CCCC[C@H]1C[C@@H](NC2CC[NH2+]CC2)CC[NH2+]1 ZINC001246076118 987364819 /nfs/dbraw/zinc/36/48/19/987364819.db2.gz ASFZHSPANCQWLC-KBPBESRZSA-N 2 0 239.407 1.639 20 0 BDADRP Cc1cc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)ccn1 ZINC000697863346 987364712 /nfs/dbraw/zinc/36/47/12/987364712.db2.gz KLVNXJGFDKMQHW-GFCCVEGCSA-N 2 0 219.332 1.561 20 0 BDADRP C[C@@H](CC[NH2+]C[C@@H]1CCCOC1)[NH+](C)C ZINC000697890544 987364747 /nfs/dbraw/zinc/36/47/47/987364747.db2.gz OJPGWABSMXGORX-RYUDHWBXSA-N 2 0 214.353 1.343 20 0 BDADRP C[C@H](Cc1cccnc1)[NH2+]CC1([NH3+])CCCC1 ZINC001246077446 987366654 /nfs/dbraw/zinc/36/66/54/987366654.db2.gz WWJBQSWPMKJHFI-GFCCVEGCSA-N 2 0 233.359 1.874 20 0 BDADRP C(CC1CC1)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699303986 987373760 /nfs/dbraw/zinc/37/37/60/987373760.db2.gz FFOYARLWGPZORK-YHWZYXNKSA-N 2 0 208.349 1.907 20 0 BDADRP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCCOCC1 ZINC000699314155 987374561 /nfs/dbraw/zinc/37/45/61/987374561.db2.gz HRGPUSYQYCQZME-YHWZYXNKSA-N 2 0 224.348 1.239 20 0 BDADRP CC1(C)CC[C@@H]([NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)C1 ZINC001246081865 987376665 /nfs/dbraw/zinc/37/66/65/987376665.db2.gz JPQBORGBUGSHEH-NTZNESFSSA-N 2 0 244.354 1.217 20 0 BDADRP Cc1oncc1CN[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246083605 987380888 /nfs/dbraw/zinc/38/08/88/987380888.db2.gz VCOKKXOAWNDDAA-GZMMTYOYSA-N 2 0 209.293 1.213 20 0 BDADRP CCCCC[C@@H](C)[NH2+]C[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001246085309 987384271 /nfs/dbraw/zinc/38/42/71/987384271.db2.gz WGKIZOQXJASBDD-FRRDWIJNSA-N 2 0 246.370 1.607 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@H]2CCNC[C@@H]2F)CC1 ZINC001246088849 987388600 /nfs/dbraw/zinc/38/86/00/987388600.db2.gz YBGOXPTYOOWSDI-TYUFSLCMSA-N 2 0 243.370 1.149 20 0 BDADRP C1CC2(C1)C[C@H](N[C@@H]1CCCC[NH2+]C1)CC[NH2+]2 ZINC001246088960 987391027 /nfs/dbraw/zinc/39/10/27/987391027.db2.gz ADPHSHHCIMODIP-CHWSQXEVSA-N 2 0 237.391 1.393 20 0 BDADRP F[C@H]1CC[C@@H]([NH2+]C2CC[NH2+]CC2)CC1 ZINC001246090466 987393614 /nfs/dbraw/zinc/39/36/14/987393614.db2.gz XUJMXVSOQCWYIL-AOOOYVTPSA-N 2 0 200.301 1.609 20 0 BDADRP C[C@@]1(O)CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246089678 987394668 /nfs/dbraw/zinc/39/46/68/987394668.db2.gz AVVODGJRXWBNNK-VEFJFZMTSA-N 2 0 238.375 1.553 20 0 BDADRP C[C@@H]1CC[C@H](CN[C@@H]2CC[NH2+]C(C)(C)C2)C[NH2+]1 ZINC001246089810 987395228 /nfs/dbraw/zinc/39/52/28/987395228.db2.gz DWWPRRODVKYHEJ-FRRDWIJNSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H]1CC[C@@H](CN[C@@H]2CCC[NH2+]CC2)C[NH2+]1 ZINC001246091890 987399627 /nfs/dbraw/zinc/39/96/27/987399627.db2.gz HSURGKWRUQLCOY-JHJVBQTASA-N 2 0 225.380 1.106 20 0 BDADRP C1C[C@H]2CC([NH2+][C@H]3CCCC[NH2+]C3)C[C@@H]1O2 ZINC001246093534 987401665 /nfs/dbraw/zinc/40/16/65/987401665.db2.gz XCHVZKUPQUPTAJ-WODVXLOZSA-N 2 0 224.348 1.428 20 0 BDADRP C[C@@H]1C[C@@H](NC[C@]2(C)CCCC[NH2+]C2)CC[NH2+]1 ZINC001246092980 987401783 /nfs/dbraw/zinc/40/17/83/987401783.db2.gz UGXMWEUSKLUWGT-HZSPNIEDSA-N 2 0 239.407 1.496 20 0 BDADRP C[C@@H]1C[C@@H](NC[C@@]2(C)CCCC[NH2+]C2)CC[NH2+]1 ZINC001246092986 987403443 /nfs/dbraw/zinc/40/34/43/987403443.db2.gz UGXMWEUSKLUWGT-RDBSUJKOSA-N 2 0 239.407 1.496 20 0 BDADRP CC(C)[C@H]1C[C@@H](NC[C@@H]2C[C@H](F)C[NH2+]2)CC[NH2+]1 ZINC001246094900 987406071 /nfs/dbraw/zinc/40/60/71/987406071.db2.gz GTMDONCRETWQIF-ZDEQEGDKSA-N 2 0 243.370 1.053 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)O3)C[NH2+]1 ZINC001246096052 987406269 /nfs/dbraw/zinc/40/62/69/987406269.db2.gz LOKTWMWJVZGLFG-DUJLVANISA-N 2 0 238.375 1.674 20 0 BDADRP C[C@H]1CC[C@@H](C[NH2+]C2CCSCC2)C[NH2+]1 ZINC001246096364 987408307 /nfs/dbraw/zinc/40/83/07/987408307.db2.gz MIYRNYHEFWKJQC-WDEREUQCSA-N 2 0 228.405 1.860 20 0 BDADRP C[C@H]1CC[C@H](C[NH2+]C2CCSCC2)C[NH2+]1 ZINC001246096361 987408786 /nfs/dbraw/zinc/40/87/86/987408786.db2.gz MIYRNYHEFWKJQC-QWRGUYRKSA-N 2 0 228.405 1.860 20 0 BDADRP C[C@H](Cc1ccccn1)N[C@@H]1C[NH2+]CC[C@H]1C ZINC001246100000 987416496 /nfs/dbraw/zinc/41/64/96/987416496.db2.gz CCNHCHZAXYYYCO-YRGRVCCFSA-N 2 0 233.359 1.600 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCCOCC2)C[NH2+]1 ZINC001246099425 987416523 /nfs/dbraw/zinc/41/65/23/987416523.db2.gz QZFHMWAAMXFTMW-FRRDWIJNSA-N 2 0 226.364 1.533 20 0 BDADRP C[NH2+]C1CCC([NH2+]C[C@H]2C[NH2+]C[C@H](C)C2)CC1 ZINC001246100601 987417050 /nfs/dbraw/zinc/41/70/50/987417050.db2.gz ONZUFNHOPUZLJO-IWMBGFJWSA-N 3 0 239.407 1.352 20 0 BDADRP C[NH2+]CC[C@H](C)NC[C@@]1(C)CCCC[NH2+]C1 ZINC001246104113 987426893 /nfs/dbraw/zinc/42/68/93/987426893.db2.gz UJPWITDYDHEMLT-STQMWFEESA-N 2 0 227.396 1.354 20 0 BDADRP COC1CCC([NH2+]C[C@H]2C[NH2+]C[C@H](C)C2)CC1 ZINC001246103740 987426944 /nfs/dbraw/zinc/42/69/44/987426944.db2.gz TVDCROSFLSQLDQ-IWMBGFJWSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](C[NH2+][C@H]2CCCOCC2)C1 ZINC001246103998 987428967 /nfs/dbraw/zinc/42/89/67/987428967.db2.gz UDPRNJVMHJZGSU-XQQFMLRXSA-N 2 0 226.364 1.391 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@H]2CCO[C@H](C)C2)[NH2+]C1 ZINC001246105094 987431867 /nfs/dbraw/zinc/43/18/67/987431867.db2.gz LUJHOSBJLDABJA-FVCCEPFGSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@@H]1CC[C@@H](CN[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)[NH2+]C1 ZINC001246105456 987434925 /nfs/dbraw/zinc/43/49/25/987434925.db2.gz BMYMXJBHQSAZBO-PEBLQZBPSA-N 2 0 237.391 1.247 20 0 BDADRP C[NH2+]CC[C@H](C)[NH2+]C[C@@H]1CC[NH2+]CC[C@@H]1C ZINC001246106994 987439212 /nfs/dbraw/zinc/43/92/12/987439212.db2.gz GMLMXZJAITWKCZ-AVGNSLFASA-N 3 0 227.396 1.210 20 0 BDADRP C[C@@H]1CC([NH2+]C[C@@H]2CCC[NH2+][C@H]2C)C[C@@H](C)O1 ZINC001246109109 987441643 /nfs/dbraw/zinc/44/16/43/987441643.db2.gz JKJREZHFMFBGDI-NDBYEHHHSA-N 2 0 240.391 1.920 20 0 BDADRP CC[N@@H+]1CC[C@H](NC[C@H]2CCC[NH2+][C@@H]2C)C1 ZINC001246108859 987442277 /nfs/dbraw/zinc/44/22/77/987442277.db2.gz IRIRGFBVGAHBQE-UPJWGTAASA-N 2 0 225.380 1.058 20 0 BDADRP C[NH2+]CCCN[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246112082 987444445 /nfs/dbraw/zinc/44/44/45/987444445.db2.gz KNVDLWCELVQCFN-VXGBXAGGSA-N 3 0 227.396 1.352 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCSC1 ZINC001246110906 987444576 /nfs/dbraw/zinc/44/45/76/987444576.db2.gz JHNBABZMJOYKQL-MXWKQRLJSA-N 2 0 214.378 1.327 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001246110831 987447721 /nfs/dbraw/zinc/44/77/21/987447721.db2.gz MKIQEKKLGWNAJK-PJIALRRASA-N 2 0 238.375 1.674 20 0 BDADRP CSCC[C@H](C)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1C ZINC001246114046 987449640 /nfs/dbraw/zinc/44/96/40/987449640.db2.gz RWIHKDIYNNEFDC-SRVKXCTJSA-N 2 0 230.421 1.963 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[NH2+]CC[C@@H]2C)CN1 ZINC001246113359 987451433 /nfs/dbraw/zinc/45/14/33/987451433.db2.gz SWFWNAUWNAXDKC-DGAVXFQQSA-N 2 0 239.407 1.352 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[NH2+][C@H]2C)C1 ZINC001246114395 987454667 /nfs/dbraw/zinc/45/46/67/987454667.db2.gz WGTLWNHHMMEBTL-XDQVBPFNSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]1C[NH2+]CCC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246117100 987459887 /nfs/dbraw/zinc/45/98/87/987459887.db2.gz IGWQXYIZXUNWRE-YIPFDTCYSA-N 2 0 237.391 1.247 20 0 BDADRP C[C@H]1CC[NH2+]C[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001246117958 987459973 /nfs/dbraw/zinc/45/99/73/987459973.db2.gz DEYRVIYPDFRSJP-WSOGJNRSSA-N 2 0 238.375 1.532 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1C[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001246117444 987461063 /nfs/dbraw/zinc/46/10/63/987461063.db2.gz BATDVKBHOAFQRR-YJBUHQLJSA-N 2 0 236.359 1.308 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC001246118829 987462421 /nfs/dbraw/zinc/46/24/21/987462421.db2.gz IVNHUAVSJSCIEC-XDQVBPFNSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@H]1C[NH2+]C[C@@H]1N[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246118080 987463928 /nfs/dbraw/zinc/46/39/28/987463928.db2.gz VJOOIJKFINVKAI-RNJOBUHISA-N 2 0 239.407 1.351 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1C[NH2+][C@@H]1COC(C)(C)C1 ZINC001246118014 987464827 /nfs/dbraw/zinc/46/48/27/987464827.db2.gz DUBCJCGSPQBKCD-WOPDTQHZSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]Cc2cccc(N)c2)CC[NH2+]1 ZINC001246121363 987467134 /nfs/dbraw/zinc/46/71/34/987467134.db2.gz XVKQUWLEHINBRP-GWCFXTLKSA-N 2 0 219.332 1.499 20 0 BDADRP CC1([NH2+]C2CCC3(CCC[NH2+]C3)CC2)CNC1 ZINC001246126814 987471356 /nfs/dbraw/zinc/47/13/56/987471356.db2.gz JXTVFOHIGGYFER-UHFFFAOYSA-N 2 0 237.391 1.250 20 0 BDADRP C[C@@H]1CC[C@H](N[C@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)C[NH2+]1 ZINC001246133717 987488063 /nfs/dbraw/zinc/48/80/63/987488063.db2.gz RZACTNKJUFWWAU-DGTMBMJNSA-N 2 0 237.391 1.105 20 0 BDADRP C[C@H]1CC[C@H](N[C@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)C[NH2+]1 ZINC001246133718 987489218 /nfs/dbraw/zinc/48/92/18/987489218.db2.gz RZACTNKJUFWWAU-NDKCEZKHSA-N 2 0 237.391 1.105 20 0 BDADRP C[C@@H]1CC([NH2+][C@H]2CO[C@@H]3C[NH2+]C[C@H]23)C[C@@H](C)C1 ZINC001246145473 987502569 /nfs/dbraw/zinc/50/25/69/987502569.db2.gz CLEYYNCKUVHZMG-IKOPJOCTSA-N 2 0 238.375 1.388 20 0 BDADRP [NH3+][C@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246149486 987507557 /nfs/dbraw/zinc/50/75/57/987507557.db2.gz CQQPZIDSYMHGNY-HTYKTIJTSA-N 3 0 223.364 1.129 20 0 BDADRP CC[NH+](CC)CCCC[NH2+][C@@H]1CCCNC1 ZINC001246160982 987519907 /nfs/dbraw/zinc/51/99/07/987519907.db2.gz IDBBJMDRNUYIMU-CYBMUJFWSA-N 2 0 227.396 1.450 20 0 BDADRP CCC[NH+](CCC)CCN[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246161365 987521736 /nfs/dbraw/zinc/52/17/36/987521736.db2.gz KHJCFLFWWIIXCR-ZIAGYGMSSA-N 2 0 241.423 1.839 20 0 BDADRP CC[NH+](CC)CCCC[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246163127 987528657 /nfs/dbraw/zinc/52/86/57/987528657.db2.gz VUWYXLUYXKXZEB-UONOGXRCSA-N 3 0 241.423 1.839 20 0 BDADRP CCCC[N@H+](C)CCN[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246169651 987531274 /nfs/dbraw/zinc/53/12/74/987531274.db2.gz IUCSYBTVUNOHHK-STQMWFEESA-N 2 0 227.396 1.448 20 0 BDADRP C[C@@H]1C[C@H](Nc2cccc(C[NH3+])c2)CC[NH2+]1 ZINC001246179157 987549960 /nfs/dbraw/zinc/54/99/60/987549960.db2.gz OKDHVCZQTHMVIE-ZWNOBZJWSA-N 2 0 219.332 1.698 20 0 BDADRP CCCC[N@H+](C)CCCN[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246183557 987552997 /nfs/dbraw/zinc/55/29/97/987552997.db2.gz FUTLCTXNSRXLOW-KGLIPLIRSA-N 2 0 241.423 1.839 20 0 BDADRP c1coc(CSCC[NH2+]C2CC[NH2+]CC2)c1 ZINC001246181702 987553203 /nfs/dbraw/zinc/55/32/03/987553203.db2.gz XCACSAKJXKPLBI-UHFFFAOYSA-N 2 0 240.372 1.854 20 0 BDADRP CCCC[N@H+](C)CCCNC1CC[NH2+]CC1 ZINC001246182676 987554365 /nfs/dbraw/zinc/55/43/65/987554365.db2.gz BMOXTGJPTKQURB-UHFFFAOYSA-N 2 0 227.396 1.450 20 0 BDADRP CCCC[N@H+](C)CCCN[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246183558 987556639 /nfs/dbraw/zinc/55/66/39/987556639.db2.gz FUTLCTXNSRXLOW-UONOGXRCSA-N 2 0 241.423 1.839 20 0 BDADRP CCCC[N@H+](C)CCCN[C@@H]1CCC[NH2+]C1 ZINC001246183615 987563049 /nfs/dbraw/zinc/56/30/49/987563049.db2.gz GMUFRFCBUXGFDZ-CYBMUJFWSA-N 2 0 227.396 1.450 20 0 BDADRP C[N@@H+]1CCC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246188561 987574797 /nfs/dbraw/zinc/57/47/97/987574797.db2.gz IQNQHLDRIVKCCG-HABKJSAYSA-N 2 0 237.391 1.343 20 0 BDADRP CC(C)C[C@H](C)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246191973 987582142 /nfs/dbraw/zinc/58/21/42/987582142.db2.gz COENNWPHRCJBEZ-RYUDHWBXSA-N 2 0 225.380 1.105 20 0 BDADRP CC(C)(C[NH2+]C1CC[NH2+]CC1)c1cnccn1 ZINC001246195402 987584333 /nfs/dbraw/zinc/58/43/33/987584333.db2.gz RTKJDJRGMGBZET-UHFFFAOYSA-N 2 0 234.347 1.096 20 0 BDADRP C(N[C@H]1CC2CC[NH+](CC2)C1)[C@H]1CCC[NH2+]C1 ZINC001246197566 987592307 /nfs/dbraw/zinc/59/23/07/987592307.db2.gz BIQSTNOBUJQVDU-KBPBESRZSA-N 2 0 237.391 1.060 20 0 BDADRP C[C@@H](Cc1ccncc1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001246200567 987593669 /nfs/dbraw/zinc/59/36/69/987593669.db2.gz RBSWFFPWGIQHSN-GXTWGEPZSA-N 2 0 233.359 1.602 20 0 BDADRP CCOCC[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001246199647 987595810 /nfs/dbraw/zinc/59/58/10/987595810.db2.gz YEJZHMVPZCQQBP-VXGBXAGGSA-N 2 0 214.353 1.391 20 0 BDADRP [NH3+][C@H]1CC[C@@H](CC[NH2+][C@H]2CCCC[NH2+]C2)CC1 ZINC001246202402 987598319 /nfs/dbraw/zinc/59/83/19/987598319.db2.gz OMJDFZWCEKZROK-MJBXVCDLSA-N 3 0 239.407 1.626 20 0 BDADRP C[C@@H]1C[C@H](n2nc(C[NH3+])c3ccccc32)CC[NH2+]1 ZINC001246203517 987600115 /nfs/dbraw/zinc/60/01/15/987600115.db2.gz WSLQGDSMTGBUJK-GHMZBOCLSA-N 2 0 244.342 1.808 20 0 BDADRP C[C@H]1CC[C@H]([NH2+]CC[C@H]2CC[C@@H]([NH3+])CC2)CN1 ZINC001246201435 987600658 /nfs/dbraw/zinc/60/06/58/987600658.db2.gz HDLNXFHUPQUUAD-FQUUOJAGSA-N 2 0 239.407 1.624 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246205196 987602911 /nfs/dbraw/zinc/60/29/11/987602911.db2.gz MCCCPNQIFGCSFY-NJMOYASZSA-N 2 0 223.364 1.129 20 0 BDADRP COC(=O)[C@H]1CC[C@H]([NH2+]C2CC[NH2+]CC2)CC1 ZINC001246205610 987603286 /nfs/dbraw/zinc/60/32/86/987603286.db2.gz QXUQJDIRYYJPBK-XYPYZODXSA-N 2 0 240.347 1.060 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2CCC3(COC3)CC2)C1 ZINC001246205715 987603481 /nfs/dbraw/zinc/60/34/81/987603481.db2.gz SJFKXMCGPBFLLH-DGCLKSJQSA-N 2 0 238.375 1.805 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C2(CO)CCCC2)CC[NH2+]1 ZINC001246206097 987604640 /nfs/dbraw/zinc/60/46/40/987604640.db2.gz XKWPIUBTJABGPX-WDEREUQCSA-N 2 0 212.337 1.022 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC[C@@H](O)c2ccccc2)CC[NH2+]1 ZINC001246210585 987606192 /nfs/dbraw/zinc/60/61/92/987606192.db2.gz JCJAFZJINCZHFL-VHDGCEQUSA-N 2 0 248.370 1.840 20 0 BDADRP CC(C)[C@H]1C[C@@H](NC[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246216878 987612842 /nfs/dbraw/zinc/61/28/42/987612842.db2.gz STHIZSVNDFQJSM-MELADBBJSA-N 2 0 239.407 1.352 20 0 BDADRP CC(C)[C@H]1C[C@H](N[C@H]2C[NH2+]CC[C@H]2F)CC[NH2+]1 ZINC001246217442 987613476 /nfs/dbraw/zinc/61/34/76/987613476.db2.gz JZJRQLMLBRJPPO-LPWJVIDDSA-N 2 0 243.370 1.053 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@H](F)C2)CC[NH2+]1 ZINC001246216825 987614033 /nfs/dbraw/zinc/61/40/33/987614033.db2.gz IYRNZLDJNGYRBY-NAKRPEOUSA-N 2 0 200.301 1.465 20 0 BDADRP CC(C)[C@H]1C[C@H](NC[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246216877 987615036 /nfs/dbraw/zinc/61/50/36/987615036.db2.gz STHIZSVNDFQJSM-BFHYXJOUSA-N 2 0 239.407 1.352 20 0 BDADRP C([NH+]1CCCC1)C1(C[NH+]2CCCC2)COC1 ZINC001116533565 987618373 /nfs/dbraw/zinc/61/83/73/987618373.db2.gz BYZWQMKROMWTIG-UHFFFAOYSA-N 2 0 224.348 1.195 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CN1 ZINC001246220884 987620425 /nfs/dbraw/zinc/62/04/25/987620425.db2.gz GUPQGTSLGDGGEW-XGFWRYKXSA-N 2 0 237.391 1.247 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CO)CC2)CC[NH2+]1 ZINC001246222148 987620515 /nfs/dbraw/zinc/62/05/15/987620515.db2.gz LHVKJBGWSDHBDT-NDBYEHHHSA-N 2 0 226.364 1.268 20 0 BDADRP CC(C)CC[C@@H](C)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246226755 987622807 /nfs/dbraw/zinc/62/28/07/987622807.db2.gz JLFIBUATFGFDHR-OLZOCXBDSA-N 2 0 239.407 1.495 20 0 BDADRP C([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCC[NH2+]CC1 ZINC001246227053 987623070 /nfs/dbraw/zinc/62/30/70/987623070.db2.gz STIODFZLPVAAPP-HABKJSAYSA-N 3 0 237.391 1.249 20 0 BDADRP c1cnc2c(c1)[C@@H](NC1CC[NH2+]CC1)CCC2 ZINC001246228842 987626486 /nfs/dbraw/zinc/62/64/86/987626486.db2.gz GTECSYCYIYQUFC-AWEZNQCLSA-N 2 0 231.343 1.801 20 0 BDADRP C[C@@H]1CC[C@@H](NCCOc2cccnc2)C[NH2+]1 ZINC001246229925 987626696 /nfs/dbraw/zinc/62/66/96/987626696.db2.gz LZIBUIUGMUQSAV-VXGBXAGGSA-N 2 0 235.331 1.191 20 0 BDADRP c1ccc2c(c1)NCC[C@H]2[NH2+]C1CC[NH2+]CC1 ZINC001246233145 987630143 /nfs/dbraw/zinc/63/01/43/987630143.db2.gz UQLBGAIVBTUOLL-CQSZACIVSA-N 2 0 231.343 1.885 20 0 BDADRP C[C@H]1CC[C@H](N(C(N)=[NH2+])c2ccccc2)C[NH2+]1 ZINC001246234512 987632790 /nfs/dbraw/zinc/63/27/90/987632790.db2.gz ILFVZPHGBOQMLS-JQWIXIFHSA-N 2 0 232.331 1.527 20 0 BDADRP CCC1(N[C@H]2CC[NH2+]C3(CCC3)C2)C[NH2+]C1 ZINC001246237340 987634179 /nfs/dbraw/zinc/63/41/79/987634179.db2.gz SAUXMPOPTQLMQM-NSHDSACASA-N 2 0 223.364 1.003 20 0 BDADRP CO[C@H]1C[NH2+]C[C@@H]1N[C@@H]1CCCC(C)(C)C1 ZINC001246237721 987634465 /nfs/dbraw/zinc/63/44/65/987634465.db2.gz BVHZHDKGIYYBBQ-WOPDTQHZSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@@H]1CC[C@H](n2ncc3cccc(C[NH3+])c32)C[NH2+]1 ZINC001246238501 987638020 /nfs/dbraw/zinc/63/80/20/987638020.db2.gz FZNNCCCQJMMUII-MFKMUULPSA-N 2 0 244.342 1.808 20 0 BDADRP CC1(C)C[C@@H](NCC[C@@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001246247281 987647905 /nfs/dbraw/zinc/64/79/05/987647905.db2.gz SUPGLLPWOLMQMG-STQMWFEESA-N 2 0 239.407 1.639 20 0 BDADRP CC1(C)C[C@H](NCC[C@@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001246247279 987649906 /nfs/dbraw/zinc/64/99/06/987649906.db2.gz SUPGLLPWOLMQMG-QWHCGFSZSA-N 2 0 239.407 1.639 20 0 BDADRP CCn1ccc(C[NH2+][C@H]2CCc3nc[nH]c3C2)n1 ZINC001474167614 987653541 /nfs/dbraw/zinc/65/35/41/987653541.db2.gz NONBFSBDNZAMER-JTQLQIEISA-N 2 0 245.330 1.273 20 0 BDADRP CCC[NH2+]CCN[C@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246270530 987656127 /nfs/dbraw/zinc/65/61/27/987656127.db2.gz ORIXIBRWXJPMNY-QWHCGFSZSA-N 2 0 227.396 1.352 20 0 BDADRP CCCCC(=O)[C@H](C)NC1CC[NH2+]CC1 ZINC001246271847 987665299 /nfs/dbraw/zinc/66/52/99/987665299.db2.gz ITDHEFXQEWWADE-JTQLQIEISA-N 2 0 212.337 1.476 20 0 BDADRP CC(C)[C@@H]1C[C@@H](NCC[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC001246274957 987668568 /nfs/dbraw/zinc/66/85/68/987668568.db2.gz XMJGHYMWUWPIST-RDBSUJKOSA-N 2 0 239.407 1.495 20 0 BDADRP CC[C@@H]1CC(N[C@H]2CC[C@H]([NH3+])C2)C[C@@H](CC)[NH2+]1 ZINC001246275612 987670733 /nfs/dbraw/zinc/67/07/33/987670733.db2.gz AWTSERPHDZGDCV-LOWDOPEQSA-N 2 0 239.407 1.765 20 0 BDADRP CCCC[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]2[NH3+])CC[NH2+]1 ZINC001246279331 987672250 /nfs/dbraw/zinc/67/22/50/987672250.db2.gz MRIXLSDMSSVFSG-YIYPIFLZSA-N 2 0 239.407 1.767 20 0 BDADRP CC[C@H]1C[C@@H](NCC2([NH3+])CCCCC2)CC[NH2+]1 ZINC001246280383 987672645 /nfs/dbraw/zinc/67/26/45/987672645.db2.gz UIMHHXOTGFQSDG-STQMWFEESA-N 2 0 239.407 1.768 20 0 BDADRP CCCC[C@@H]1C[C@H](N[C@H]2CCC[C@@H]2[NH3+])CC[NH2+]1 ZINC001246279329 987672846 /nfs/dbraw/zinc/67/28/46/987672846.db2.gz MRIXLSDMSSVFSG-MQYQWHSLSA-N 2 0 239.407 1.767 20 0 BDADRP C[C@@H]1CC[C@H](NCC2([NH3+])CCCCC2)C[NH2+]1 ZINC001246278944 987673211 /nfs/dbraw/zinc/67/32/11/987673211.db2.gz KMRBLDMBYWJUBA-NEPJUHHUSA-N 2 0 225.380 1.378 20 0 BDADRP CC1(C)C[C@@H](N[C@@H]2CCC[NH2+]C2)C(C)(C)N1O ZINC001246285186 987677889 /nfs/dbraw/zinc/67/78/89/987677889.db2.gz GOAFJTCBSIXZOX-GHMZBOCLSA-N 2 0 241.379 1.349 20 0 BDADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246283015 987677988 /nfs/dbraw/zinc/67/79/88/987677988.db2.gz YDLHFUPTYDIEFY-WHOHXGKFSA-N 2 0 240.347 1.058 20 0 BDADRP C[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(N)cc1 ZINC001246290330 987682403 /nfs/dbraw/zinc/68/24/03/987682403.db2.gz QJWQBZAHZCJZIN-JTQLQIEISA-N 2 0 219.332 1.671 20 0 BDADRP [NH3+][C@@H](CN[C@@H]1CCCC[NH2+]C1)c1ccccc1 ZINC001246291860 987687413 /nfs/dbraw/zinc/68/74/13/987687413.db2.gz OPZIMESNTGUJEC-KGLIPLIRSA-N 2 0 233.359 1.418 20 0 BDADRP C[C@H](CC[NH3+])[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246299381 987692703 /nfs/dbraw/zinc/69/27/03/987692703.db2.gz HRSAMOILZVUGEL-IYXRBSQSSA-N 3 0 239.407 1.626 20 0 BDADRP C[C@@H](CC[NH3+])[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246300774 987698257 /nfs/dbraw/zinc/69/82/57/987698257.db2.gz OQYIINPXBZXMFU-LBPRGKRZSA-N 3 0 239.407 1.626 20 0 BDADRP C[C@H]1CC[C@H]([NH2+]CCCCCCC[NH3+])CN1 ZINC001246303783 987699776 /nfs/dbraw/zinc/69/97/76/987699776.db2.gz AOQGWRNFWLYSFI-STQMWFEESA-N 2 0 227.396 1.626 20 0 BDADRP CCOC(=O)CC[C@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC001246303901 987699952 /nfs/dbraw/zinc/69/99/52/987699952.db2.gz KFVDXOIYDRCBEX-UWVGGRQHSA-N 2 0 216.325 1.045 20 0 BDADRP CC(C)(C)[C@H]1C[C@@H](N[C@H]2CCC[C@H]2[NH3+])CC[NH2+]1 ZINC001246304626 987700129 /nfs/dbraw/zinc/70/01/29/987700129.db2.gz KRVKLIAYYRVWOC-QNWHQSFQSA-N 2 0 239.407 1.623 20 0 BDADRP CC[C@@H]1CC(NCC[C@H](C)[NH3+])C[C@@H](CC)[NH2+]1 ZINC001246306657 987703997 /nfs/dbraw/zinc/70/39/97/987703997.db2.gz RHFBROUPAIWLTA-QJPTWQEYSA-N 2 0 227.396 1.623 20 0 BDADRP CCOC(=O)CC[C@H](C)[NH2+]C[C@H]([NH3+])CC ZINC001246312757 987704119 /nfs/dbraw/zinc/70/41/19/987704119.db2.gz HQHSKHJNNWCOAJ-VHSXEESVSA-N 2 0 216.325 1.045 20 0 BDADRP O=C1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246307217 987704336 /nfs/dbraw/zinc/70/43/36/987704336.db2.gz KWDVMHFFYYTDKB-WSMDXJOWSA-N 2 0 222.332 1.371 20 0 BDADRP CC(C)OCC[C@@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC001246305806 987705185 /nfs/dbraw/zinc/70/51/85/987705185.db2.gz OFALKZOGLSSSIV-WDEREUQCSA-N 2 0 202.342 1.517 20 0 BDADRP C[C@H]([NH3+])CC[NH2+]C1CCC2(COC2)CC1 ZINC001246306663 987705488 /nfs/dbraw/zinc/70/54/88/987705488.db2.gz RITVXAIEFJRZOT-JTQLQIEISA-N 2 0 212.337 1.273 20 0 BDADRP CC[C@@H](C)OCC[C@@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC001246307603 987707139 /nfs/dbraw/zinc/70/71/39/987707139.db2.gz ZEGOTGQZXCFGGU-QJPTWQEYSA-N 2 0 216.369 1.907 20 0 BDADRP C[C@@H]1C[C@H](n2cccc2CC[NH3+])CC[NH2+]1 ZINC001246308243 987708631 /nfs/dbraw/zinc/70/86/31/987708631.db2.gz GQGWJOXTWZDYJC-ZYHUDNBSSA-N 2 0 207.321 1.302 20 0 BDADRP [NH3+]CCCCCCC[NH2+][C@H]1CCCNC1 ZINC001246308617 987708681 /nfs/dbraw/zinc/70/86/81/987708681.db2.gz RMLKIACNOKOPJH-LBPRGKRZSA-N 2 0 213.369 1.237 20 0 BDADRP C[C@H]1C[C@@H](n2cccc2CC[NH3+])CC[NH2+]1 ZINC001246308237 987709502 /nfs/dbraw/zinc/70/95/02/987709502.db2.gz GQGWJOXTWZDYJC-JQWIXIFHSA-N 2 0 207.321 1.302 20 0 BDADRP CC[C@@H](C[NH3+])N[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246309895 987711569 /nfs/dbraw/zinc/71/15/69/987711569.db2.gz BKQQHWQINMRAKJ-STQMWFEESA-N 2 0 239.407 1.768 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@H](C)Cc1ccncc1 ZINC001246312136 987714673 /nfs/dbraw/zinc/71/46/73/987714673.db2.gz GCQYYGVXCWHUAM-PWSUYJOCSA-N 2 0 207.321 1.340 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H](C)CCO[C@@H](C)CC ZINC001246312591 987715690 /nfs/dbraw/zinc/71/56/90/987715690.db2.gz GNHBWQDEFLWTQM-SRVKXCTJSA-N 2 0 216.369 1.907 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@H](C)CCC(=O)OC(C)C ZINC001246316399 987721603 /nfs/dbraw/zinc/72/16/03/987721603.db2.gz ZGVMTLUIQGIZCO-MNOVXSKESA-N 2 0 230.352 1.434 20 0 BDADRP CC(C)C[C@@H]([NH3+])CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246314807 987722063 /nfs/dbraw/zinc/72/20/63/987722063.db2.gz YYOXLCJFBSMQES-FKJOKYEKSA-N 2 0 225.380 1.232 20 0 BDADRP CCCc1cc(C[NH3+])nn1[C@@H]1CCC[NH2+]C1 ZINC001246319640 987724442 /nfs/dbraw/zinc/72/44/42/987724442.db2.gz FPOUYBNQKYBHDU-GFCCVEGCSA-N 2 0 222.336 1.219 20 0 BDADRP CCCc1cc(C[NH3+])nn1[C@H]1CCC[NH2+]C1 ZINC001246319641 987725676 /nfs/dbraw/zinc/72/56/76/987725676.db2.gz FPOUYBNQKYBHDU-LBPRGKRZSA-N 2 0 222.336 1.219 20 0 BDADRP [NH3+]C[C@@H]1CN([C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC001246322359 987728074 /nfs/dbraw/zinc/72/80/74/987728074.db2.gz HGZQPOBBENKDCY-VXGBXAGGSA-N 2 0 231.343 1.301 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH3+])CC[NH2+]1 ZINC001246322251 987728624 /nfs/dbraw/zinc/72/86/24/987728624.db2.gz GQJYTXSGCDDBPS-FZMZJTMJSA-N 3 0 233.359 1.375 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246320605 987728832 /nfs/dbraw/zinc/72/88/32/987728832.db2.gz YZLCIGJFKLXKAN-NEPJUHHUSA-N 3 0 225.380 1.236 20 0 BDADRP C[C@@H]1CC[C@H](NCc2ccccc2C[NH3+])C[NH2+]1 ZINC001246322926 987728858 /nfs/dbraw/zinc/72/88/58/987728858.db2.gz ICGDHUUNKIOAKD-RISCZKNCSA-N 2 0 233.359 1.375 20 0 BDADRP CC[C@@H](COC)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC001246336263 987728943 /nfs/dbraw/zinc/72/89/43/987728943.db2.gz NYUMJTYXCPLBNK-VWYCJHECSA-N 2 0 200.326 1.142 20 0 BDADRP CCCC[C@@H]1C[C@H](NC[C@@H](C)C[NH3+])CC[NH2+]1 ZINC001246327383 987730320 /nfs/dbraw/zinc/73/03/20/987730320.db2.gz NCVGNSLBSUWUBG-YNEHKIRRSA-N 2 0 227.396 1.482 20 0 BDADRP [NH3+]Cc1ccc2cn([C@@H]3CCC[NH2+]C3)nc2c1 ZINC001246324335 987731167 /nfs/dbraw/zinc/73/11/67/987731167.db2.gz NCQBZICOCOQZCR-GFCCVEGCSA-N 2 0 230.315 1.420 20 0 BDADRP C[C@H]1[NH2+]CCC[C@@H]1NC1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246326403 987732225 /nfs/dbraw/zinc/73/22/25/987732225.db2.gz OKDISISQJBTOHP-KQXIARHKSA-N 2 0 225.380 1.246 20 0 BDADRP CC[C@@H]1CC(NC[C@H]([NH3+])C(C)C)C[C@@H](CC)[NH2+]1 ZINC001246332532 987737342 /nfs/dbraw/zinc/73/73/42/987737342.db2.gz NBFDPXSOOFQBIB-BZPMIXESSA-N 2 0 241.423 1.869 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H](CO)CC2CC2)CC1 ZINC001474488481 987737478 /nfs/dbraw/zinc/73/74/78/987737478.db2.gz LSMNKRYJJAUXMF-AWEZNQCLSA-N 2 0 240.391 1.469 20 0 BDADRP CC[C@@H]1C[C@H](NC[C@@H]([NH3+])C(C)C)C[C@H](CC)[NH2+]1 ZINC001246332540 987739787 /nfs/dbraw/zinc/73/97/87/987739787.db2.gz NBFDPXSOOFQBIB-ZOBORPQBSA-N 2 0 241.423 1.869 20 0 BDADRP C[C@H]1CC[C@@H](N[C@@]23CC[C@@]([NH3+])(C2)CCC3)C[NH2+]1 ZINC001246333312 987741995 /nfs/dbraw/zinc/74/19/95/987741995.db2.gz LLOSKQKYGLMYOK-DGAVXFQQSA-N 2 0 237.391 1.521 20 0 BDADRP C[C@@H](Cc1cccc(O)c1)[NH2+][C@H]1CCCNC1 ZINC001246355680 987762825 /nfs/dbraw/zinc/76/28/25/987762825.db2.gz ZJVYEJVPRSTPCN-AAEUAGOBSA-N 2 0 234.343 1.665 20 0 BDADRP C[C@H](Cc1cccc(O)c1)[NH2+][C@@H]1CCCNC1 ZINC001246355681 987765116 /nfs/dbraw/zinc/76/51/16/987765116.db2.gz ZJVYEJVPRSTPCN-DGCLKSJQSA-N 2 0 234.343 1.665 20 0 BDADRP C[C@@H]1C[C@@H](N[C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)C[NH2+]1 ZINC001246358400 987766806 /nfs/dbraw/zinc/76/68/06/987766806.db2.gz DWFIKHUAOHBPRQ-YVECIDJPSA-N 2 0 239.407 1.493 20 0 BDADRP CC(C)(C)[C@@H]1C[C@@H](NC(C)(C)CC[NH3+])CC[NH2+]1 ZINC001246363996 987770177 /nfs/dbraw/zinc/77/01/77/987770177.db2.gz RLEUFCCYBHLACJ-RYUDHWBXSA-N 2 0 241.423 1.870 20 0 BDADRP C[NH+]1CCC(CCC[NH2+][C@@H]2CCCNC2)CC1 ZINC001246367104 987772551 /nfs/dbraw/zinc/77/25/51/987772551.db2.gz YQOCHYATDMCBBA-CQSZACIVSA-N 2 0 239.407 1.450 20 0 BDADRP [NH3+]C1(CC2CC2)CCN([C@H]2CCC[NH2+]C2)CC1 ZINC001246377508 987775879 /nfs/dbraw/zinc/77/58/79/987775879.db2.gz RWOWECQNUYPIQT-ZDUSSCGKSA-N 2 0 237.391 1.332 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]1N[C@H]1CCCC[NH2+]C1 ZINC001246372843 987776818 /nfs/dbraw/zinc/77/68/18/987776818.db2.gz NLZWKIONBUNDPH-RYUDHWBXSA-N 2 0 225.380 1.106 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2CC[NH2+]CC2(C)C)CC[NH2+]1 ZINC001246372334 987777168 /nfs/dbraw/zinc/77/71/68/987777168.db2.gz LEALCWMYOKZECJ-IJLUTSLNSA-N 2 0 225.380 1.105 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]1N[C@@H]1CCCC[NH2+]C1 ZINC001246372844 987777297 /nfs/dbraw/zinc/77/72/97/987777297.db2.gz NLZWKIONBUNDPH-VXGBXAGGSA-N 2 0 225.380 1.106 20 0 BDADRP CC[C@H]1CC[C@H]([NH2+]CCCC[C@H]([NH3+])C(N)=O)C1 ZINC001246407748 987788238 /nfs/dbraw/zinc/78/82/38/987788238.db2.gz ZJMYFCAULFHAJS-SRVKXCTJSA-N 2 0 241.379 1.138 20 0 BDADRP CCCC[C@@H](CC(C)C)[NH2+]CCNCC[NH3+] ZINC001246407773 987788733 /nfs/dbraw/zinc/78/87/33/987788733.db2.gz ZTDNNKAOBDOAAY-ZDUSSCGKSA-N 2 0 229.412 1.729 20 0 BDADRP CCC1(C[NH2+][C@H]2C[NH2+][C@@H](C)C2)CC[NH2+]CC1 ZINC001246423896 987795028 /nfs/dbraw/zinc/79/50/28/987795028.db2.gz RRVQYRKGWRXCMM-NWDGAFQWSA-N 3 0 225.380 1.106 20 0 BDADRP CCC1([NH2+]C2CC[NH2+]CC2)CCOCC1 ZINC001246440017 987798004 /nfs/dbraw/zinc/79/80/04/987798004.db2.gz FSMSMKFQIUZGLT-UHFFFAOYSA-N 2 0 212.337 1.287 20 0 BDADRP CCSC[C@H](C)[NH2+][C@H]1CC12C[NH2+]C2 ZINC001246445563 987800335 /nfs/dbraw/zinc/80/03/35/987800335.db2.gz PHXSOSFNNFMESG-IUCAKERBSA-N 2 0 200.351 1.080 20 0 BDADRP C(C1CC1)C1([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246443517 987802856 /nfs/dbraw/zinc/80/28/56/987802856.db2.gz HHQJIXOOUNRNBQ-GFCCVEGCSA-N 2 0 235.375 1.003 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[NH+]3CCC2CC3)[C@@H](C)O1 ZINC001474736040 987812414 /nfs/dbraw/zinc/81/24/14/987812414.db2.gz YQMKWEJSKAODTP-RFHZTLPTSA-N 2 0 238.375 1.484 20 0 BDADRP C1=CO[C@H](C[NH2+]C[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001474735461 987814320 /nfs/dbraw/zinc/81/43/20/987814320.db2.gz PMKXLMDTNRQCTH-KGLIPLIRSA-N 2 0 236.359 1.611 20 0 BDADRP CCC[C@@]1(CNC2C[C@@H](C)[NH2+][C@H](C)C2)CC[NH2+]1 ZINC001246457739 987816233 /nfs/dbraw/zinc/81/62/33/987816233.db2.gz UCDKPRIHGSQHJS-BZPMIXESSA-N 2 0 239.407 1.637 20 0 BDADRP CC[C@]1(N[C@H]2CC[NH2+]C(C)(C)C2)CC[NH2+]C1 ZINC001246458502 987817634 /nfs/dbraw/zinc/81/76/34/987817634.db2.gz GZEOFAWXUDUVQD-AAEUAGOBSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@@]1([NH2+]C2CC[NH2+]CC2)CC[C@@H](O)CC1 ZINC001246461600 987820521 /nfs/dbraw/zinc/82/05/21/987820521.db2.gz NFOSVIKEXVWOES-HAQNSBGRSA-N 2 0 212.337 1.022 20 0 BDADRP C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCN3)CC[NH2+]1 ZINC001246470973 987829748 /nfs/dbraw/zinc/82/97/48/987829748.db2.gz ARYOVPBADKYANG-SMDDNHRTSA-N 2 0 245.370 1.885 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)NCC3)CC[NH2+]1 ZINC001246475057 987831254 /nfs/dbraw/zinc/83/12/54/987831254.db2.gz REQLGVXXQKPKQS-BXUZGUMPSA-N 2 0 245.370 1.885 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)C1 ZINC001246474978 987831618 /nfs/dbraw/zinc/83/16/18/987831618.db2.gz DGLVTWNHGIJPOQ-RVMXOQNASA-N 2 0 244.354 1.481 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)C1 ZINC001246474977 987832066 /nfs/dbraw/zinc/83/20/66/987832066.db2.gz DGLVTWNHGIJPOQ-RNJOBUHISA-N 2 0 244.354 1.481 20 0 BDADRP F[C@H]1C[NH2+]CC[C@H]1C[NH2+]C1CCSCC1 ZINC001246478110 987833536 /nfs/dbraw/zinc/83/35/36/987833536.db2.gz SILJRNGVHKRKOX-ONGXEEELSA-N 2 0 232.368 1.419 20 0 BDADRP C[C@@H]1CC(N[C@H]2CCCC[C@H]2[NH3+])C[C@@H](C)[NH2+]1 ZINC001246479415 987838023 /nfs/dbraw/zinc/83/80/23/987838023.db2.gz UZJFYSJIMCXFFD-WFFHOREQSA-N 2 0 225.380 1.375 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]C2CC3(C2)CCC[NH2+]C3)CN1 ZINC001246490520 987844006 /nfs/dbraw/zinc/84/40/06/987844006.db2.gz DCHPTFMRKFPNJC-IWMBGFJWSA-N 2 0 237.391 1.249 20 0 BDADRP C[NH2+][C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246493778 987846598 /nfs/dbraw/zinc/84/65/98/987846598.db2.gz FXTBPYYMBAUWPP-YIYPIFLZSA-N 3 0 237.391 1.249 20 0 BDADRP [NH3+]CCC[C@@H]1CCCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001246494058 987846920 /nfs/dbraw/zinc/84/69/20/987846920.db2.gz BWMWZHXJWMBMLO-ZDUSSCGKSA-N 3 0 239.407 1.579 20 0 BDADRP C1C([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC12CCC[NH2+]C2 ZINC001246496301 987851579 /nfs/dbraw/zinc/85/15/79/987851579.db2.gz LGDGFTKVCSNPNH-HONBEQNRSA-N 3 0 249.402 1.391 20 0 BDADRP CCCC[C@@H]1C[C@@H](N[C@H]2C[C@@H]([NH2+]C)C2)CC[NH2+]1 ZINC001246498818 987854195 /nfs/dbraw/zinc/85/41/95/987854195.db2.gz YXKLNAGWAAYGQZ-RQJABVFESA-N 2 0 239.407 1.637 20 0 BDADRP CNc1cccc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)c1 ZINC001246505529 987860009 /nfs/dbraw/zinc/86/00/09/987860009.db2.gz LLSKGSXJPZIEHS-RISCZKNCSA-N 2 0 233.359 1.958 20 0 BDADRP C[N@@H+]1CCC[C@@H](N[C@H](C[NH3+])c2ccccc2)C1 ZINC001246507236 987861988 /nfs/dbraw/zinc/86/19/88/987861988.db2.gz LZAHDRAZHQJYMZ-ZIAGYGMSSA-N 2 0 233.359 1.370 20 0 BDADRP CCCC[C@H](C)[NH2+][C@@H](CCCC[NH3+])C(=O)NC ZINC001246513950 987863022 /nfs/dbraw/zinc/86/30/22/987863022.db2.gz XGHRBNRBPMKSSB-RYUDHWBXSA-N 2 0 243.395 1.398 20 0 BDADRP [NH3+]C[C@@H](N[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC001246508727 987863098 /nfs/dbraw/zinc/86/30/98/987863098.db2.gz YASBLETZDUOIKA-CBBWQLFWSA-N 2 0 245.370 1.559 20 0 BDADRP CC[C@@H]1CC(N(C)CC[NH3+])C[C@@H](CC)[NH2+]1 ZINC001246523453 987872028 /nfs/dbraw/zinc/87/20/28/987872028.db2.gz GBECCVJEQHBZNW-GHMZBOCLSA-N 2 0 213.369 1.186 20 0 BDADRP CC[C@H]1CC(N(C)CC[NH2+]C)C[C@H](CC)[NH2+]1 ZINC001246522972 987873111 /nfs/dbraw/zinc/87/31/11/987873111.db2.gz KLUDCPRROJWTSX-RYUDHWBXSA-N 2 0 227.396 1.447 20 0 BDADRP CC[C@@H]1C[C@H](N2CC([NH2+]C)C2)C[C@H](CC)[NH2+]1 ZINC001246523518 987874631 /nfs/dbraw/zinc/87/46/31/987874631.db2.gz NDDIUAPPOKXABP-PJXYFTJBSA-N 2 0 225.380 1.199 20 0 BDADRP CCCC[C@H]1C[C@@H](N2CC([NH2+]C)C2)CC[NH2+]1 ZINC001246524811 987876198 /nfs/dbraw/zinc/87/61/98/987876198.db2.gz SEFWOXLXCKAERL-AAEUAGOBSA-N 2 0 225.380 1.201 20 0 BDADRP CCCC[C@@H]1C[C@@H](N2CC[C@@](C)([NH3+])C2)CC[NH2+]1 ZINC001246526261 987878148 /nfs/dbraw/zinc/87/81/48/987878148.db2.gz ACQZPXFDIXPAOP-HZSPNIEDSA-N 2 0 239.407 1.720 20 0 BDADRP CC[C@@H]1C[C@@H](N2C[C@@H](F)[C@@H]([NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246527247 987882162 /nfs/dbraw/zinc/88/21/62/987882162.db2.gz SYSWMJVBUCOKQH-MLGHIDQZSA-N 2 0 243.370 1.277 20 0 BDADRP CC(C)(C)[C@@H]1C[C@@H](N2C[C@H]([NH3+])[C@@H](F)C2)CC[NH2+]1 ZINC001246532834 987889000 /nfs/dbraw/zinc/88/90/00/987889000.db2.gz KQFJLYIMQIDVML-BJDJZHNGSA-N 2 0 243.370 1.134 20 0 BDADRP CCCC[C@H]1C[C@@H](N2C[C@H]([NH3+])[C@@H](F)C2)CC[NH2+]1 ZINC001246533759 987890624 /nfs/dbraw/zinc/89/06/24/987890624.db2.gz NZQQLHGNIDZUOT-CYDGBPFRSA-N 2 0 243.370 1.278 20 0 BDADRP CCC[N@H+]([C@@H](C)CC)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246532411 987891905 /nfs/dbraw/zinc/89/19/05/987891905.db2.gz ZTQREOMDHCNION-STQMWFEESA-N 2 0 239.407 1.591 20 0 BDADRP CCCC[C@@H]1C[C@H](N2CCC[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246533447 987891933 /nfs/dbraw/zinc/89/19/33/987891933.db2.gz CZJZWBORHDHWIM-BFHYXJOUSA-N 2 0 239.407 1.720 20 0 BDADRP C[C@H]1CN(C2C[C@H](C)[NH2+][C@@H](C)C2)C[C@H]1C[NH3+] ZINC001246539224 987900762 /nfs/dbraw/zinc/90/07/62/987900762.db2.gz FQNSNKLPQWAZKQ-FIQHERPVSA-N 2 0 225.380 1.042 20 0 BDADRP C[C@H]1CC[C@@H](C[NH3+])N1[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246540399 987900864 /nfs/dbraw/zinc/90/08/64/987900864.db2.gz GRVSSPYUZYVFSO-SRVKXCTJSA-N 2 0 225.380 1.329 20 0 BDADRP [NH3+]CC1CC[NH+](C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001246539884 987904495 /nfs/dbraw/zinc/90/44/95/987904495.db2.gz SVNIKXYHBZVAKC-YHWZYXNKSA-N 2 0 224.348 1.367 20 0 BDADRP C[C@@H]1C[C@@H](N2CCC[C@@](C)([NH3+])C2)C[C@H](C)[NH2+]1 ZINC001246540215 987904857 /nfs/dbraw/zinc/90/48/57/987904857.db2.gz LYJVMSJUXLBOIA-YVECIDJPSA-N 2 0 225.380 1.329 20 0 BDADRP C[C@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)O3)C[C@H]1C[NH3+] ZINC001246542425 987910332 /nfs/dbraw/zinc/91/03/32/987910332.db2.gz PGGTYDIQUGJKQY-GJHMDTBVSA-N 2 0 224.348 1.223 20 0 BDADRP C[C@H]1C[N@@H+]([C@@H]2CCO[C@@H](C)C2)C[C@H]1C[NH3+] ZINC001246542522 987910489 /nfs/dbraw/zinc/91/04/89/987910489.db2.gz QBENWURXWAKFGV-NNYUYHANSA-N 2 0 212.337 1.081 20 0 BDADRP C[C@H]1C[C@H]([N@@H+]2CCC[C@H]([NH3+])CC2)CCO1 ZINC001246543103 987911491 /nfs/dbraw/zinc/91/14/91/987911491.db2.gz TVLOEZJUKZTTEZ-SDDRHHMPSA-N 2 0 212.337 1.367 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246541045 987913779 /nfs/dbraw/zinc/91/37/79/987913779.db2.gz YCZACPDUDHHBLZ-IHRRRGAJSA-N 2 0 241.423 1.918 20 0 BDADRP [NH3+][C@@H]1CCCN([C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246544968 987920233 /nfs/dbraw/zinc/92/02/33/987920233.db2.gz IOQGGHWYFDEPNE-FVCCEPFGSA-N 2 0 223.364 1.083 20 0 BDADRP CSCC[C@@H](C)[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246546097 987925890 /nfs/dbraw/zinc/92/58/90/987925890.db2.gz YFCJPWYYFZRUOJ-NEPJUHHUSA-N 2 0 246.420 1.304 20 0 BDADRP CSCC[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246547602 987926276 /nfs/dbraw/zinc/92/62/76/987926276.db2.gz FCOONWXPJUDJBP-OPRDCNLKSA-N 2 0 202.367 1.550 20 0 BDADRP C[C@@H]1CC[N@@H+](C2CC[NH2+]CC2)CC[C@@]1(C)O ZINC001246551184 987946197 /nfs/dbraw/zinc/94/61/97/987946197.db2.gz PPPVFLIZFUURMA-DGCLKSJQSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H]1CC[C@H](C[NH3+])N([C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246554191 987957692 /nfs/dbraw/zinc/95/76/92/987957692.db2.gz CZHORIZLVRHWMZ-RKQHYHRCSA-N 2 0 237.391 1.329 20 0 BDADRP C[NH2+]C[C@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246553284 987960906 /nfs/dbraw/zinc/96/09/06/987960906.db2.gz XZZAHJHLMQPYIN-HABKJSAYSA-N 2 0 237.391 1.201 20 0 BDADRP [NH3+]C[C@@H]1C[N@@H+]([C@@H]2CCCOCC2)CCC1(F)F ZINC001246553702 987963328 /nfs/dbraw/zinc/96/33/28/987963328.db2.gz BXTBTPLJROKTBQ-GHMZBOCLSA-N 2 0 248.317 1.471 20 0 BDADRP C[C@H]1C[C@H]([N@@H+]2CCC[C@@](C)([NH3+])CC2)CCO1 ZINC001246556053 987968484 /nfs/dbraw/zinc/96/84/84/987968484.db2.gz YHAAQZJQOSPJCF-YNEHKIRRSA-N 2 0 226.364 1.757 20 0 BDADRP CC1(C)CC[C@@H]([N@@H+]2CCCC[C@](O)(C[NH3+])C2)C1 ZINC001246555552 987970423 /nfs/dbraw/zinc/97/04/23/987970423.db2.gz BZHQQUAQEYGCBY-OCCSQVGLSA-N 2 0 240.391 1.741 20 0 BDADRP C[C@@H]1CCC[C@H]([N@@H+]2CCCC[C@@](O)(C[NH3+])C2)C1 ZINC001246558480 987972262 /nfs/dbraw/zinc/97/22/62/987972262.db2.gz LDDCKFBLTGCTOI-HZSPNIEDSA-N 2 0 240.391 1.741 20 0 BDADRP C[C@@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@@H]1O ZINC001246557618 987975590 /nfs/dbraw/zinc/97/55/90/987975590.db2.gz NDTDZJKNAJRIFM-YIPFDTCYSA-N 2 0 238.375 1.362 20 0 BDADRP [NH3+]C[C@@H]1CN([C@H]2CCCC[NH2+]C2)CCC1(F)F ZINC001246557902 987979041 /nfs/dbraw/zinc/97/90/41/987979041.db2.gz IZGIXPIYPKKOSG-MNOVXSKESA-N 2 0 247.333 1.044 20 0 BDADRP CCCC[NH2+]C[C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001321710573 987980508 /nfs/dbraw/zinc/98/05/08/987980508.db2.gz QEIQAEOBUTUDLV-VXGBXAGGSA-N 2 0 243.395 1.221 20 0 BDADRP C[NH2+]CC[C@H](C)[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001246560602 987981123 /nfs/dbraw/zinc/98/11/23/987981123.db2.gz QPZMZOQXQUPXPA-AVGNSLFASA-N 3 0 227.396 1.291 20 0 BDADRP C[C@@H]1C[C@H](N2CC[C@H](C)[C@@H](C[NH3+])CC2)C[NH2+]1 ZINC001246558657 987983172 /nfs/dbraw/zinc/98/31/72/987983172.db2.gz NZRXUYRTUXLMKH-LOWDOPEQSA-N 2 0 225.380 1.044 20 0 BDADRP C[C@H]1[C@H](C[NH3+])CCCN1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246563654 988007745 /nfs/dbraw/zinc/00/77/45/988007745.db2.gz LGOUDTCPOPQCIO-CSHRUCKSSA-N 2 0 237.391 1.329 20 0 BDADRP C[C@@H]1C[N@@H+]([C@@H]2C[C@@H]3[C@H](C2)C3(C)C)C[C@H]1[NH3+] ZINC001246567663 988022648 /nfs/dbraw/zinc/02/26/48/988022648.db2.gz NJEJPQCEZOIWKV-PZWNZHSQSA-N 2 0 208.349 1.700 20 0 BDADRP CC[C@@]1(C(=O)Nc2ccc(C[NH3+])cc2)CC[NH2+]C1 ZINC001118134635 988037767 /nfs/dbraw/zinc/03/77/67/988037767.db2.gz AYOBJSJHHDSYPE-CQSZACIVSA-N 2 0 247.342 1.474 20 0 BDADRP C[N@@H+]1CCC[C@H](N2C[C@H]([NH3+])CC(F)(F)C2)CC1 ZINC001246569288 988043827 /nfs/dbraw/zinc/04/38/27/988043827.db2.gz DHPGCBQIAQVKKL-MNOVXSKESA-N 2 0 247.333 1.139 20 0 BDADRP C[NH2+]CC[C@H](C)N1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001246572492 988064222 /nfs/dbraw/zinc/06/42/22/988064222.db2.gz YAHOAIWYKUJTJO-GRYCIOLGSA-N 2 0 213.369 1.044 20 0 BDADRP C[C@@H]1C[N@@H+]([C@@H]2CCC[NH2+]CC2)CCC[C@@H]1C[NH3+] ZINC001246571856 988064526 /nfs/dbraw/zinc/06/45/26/988064526.db2.gz XJUCSLJADULJPP-MGPQQGTHSA-N 3 0 239.407 1.435 20 0 BDADRP CC(C)[C@H]1C[C@@H](N2CCC[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC001246573552 988074364 /nfs/dbraw/zinc/07/43/64/988074364.db2.gz SDYAVIYNVISVSI-MELADBBJSA-N 2 0 239.407 1.447 20 0 BDADRP CC[C@@H]1C[C@@H](N2CCC[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC001246575963 988078158 /nfs/dbraw/zinc/07/81/58/988078158.db2.gz YDOHPQUHIBBIFZ-XQQFMLRXSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H]1C[C@H](N2CCC[C@@](C)(C[NH3+])CC2)C[NH2+]1 ZINC001246576679 988083059 /nfs/dbraw/zinc/08/30/59/988083059.db2.gz MKXTXEJYIFMPEW-FRRDWIJNSA-N 2 0 225.380 1.188 20 0 BDADRP CN1CCC[C@@H]([N@@H+]2CCC[C@](C)(C[NH3+])CC2)C1 ZINC001246576641 988083638 /nfs/dbraw/zinc/08/36/38/988083638.db2.gz MDNKOGGKLONKPD-KGLIPLIRSA-N 2 0 239.407 1.532 20 0 BDADRP C[C@@H]1C[C@H](N2CCCC[C@@](C)(C[NH3+])C2)CC[NH2+]1 ZINC001246578786 988104020 /nfs/dbraw/zinc/10/40/20/988104020.db2.gz CDRDBMXQOIDGNI-MCIONIFRSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@@]1(C[NH3+])CCCCN([C@H]2CCC[NH2+]CC2)C1 ZINC001246583241 988123028 /nfs/dbraw/zinc/12/30/28/988123028.db2.gz IXHRLMQUDMXJRS-KBPBESRZSA-N 2 0 239.407 1.579 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2[C@H](C)C[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC001246585620 988136660 /nfs/dbraw/zinc/13/66/60/988136660.db2.gz HGMDBBVNCINAQT-RQJABVFESA-N 2 0 239.407 1.445 20 0 BDADRP CC(C)C[NH2+]Cc1nc([C@@H]2CCC[NH2+]2)no1 ZINC001118237982 988144230 /nfs/dbraw/zinc/14/42/30/988144230.db2.gz SCZMJPMGNRTQPH-VIFPVBQESA-N 2 0 224.308 1.240 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](C)N1[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246586878 988147611 /nfs/dbraw/zinc/14/76/11/988147611.db2.gz PJUNVVPQXVAOBT-KCLGILNXSA-N 2 0 237.391 1.342 20 0 BDADRP CC[C@@H](CC(C)C)[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246588488 988157411 /nfs/dbraw/zinc/15/74/11/988157411.db2.gz ZSZKXBDZDYLCPH-SRVKXCTJSA-N 2 0 214.353 1.063 20 0 BDADRP COC(=O)CCCC[C@@H](C)[NH+]1CC(C)(C[NH3+])C1 ZINC001246588179 988159724 /nfs/dbraw/zinc/15/97/24/988159724.db2.gz KPUWKQKFXSKTNH-LLVKDONJSA-N 2 0 242.363 1.389 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CC[C@](C)(O)[C@H](C)C2)CC[NH2+]1 ZINC001246590333 988167515 /nfs/dbraw/zinc/16/75/15/988167515.db2.gz SKCKKNFFUBYMSJ-LPWJVIDDSA-N 2 0 226.364 1.220 20 0 BDADRP CC[C@@H]1C[C@H](N2C[C@H](C[NH3+])CC[C@@H]2C)CC[NH2+]1 ZINC001246595002 988187300 /nfs/dbraw/zinc/18/73/00/988187300.db2.gz XEUFBXOMNJSIGQ-IGQOVBAYSA-N 2 0 239.407 1.576 20 0 BDADRP [NH3+]C[C@@H]1CCCC[N@@H+]([C@@H]2CCC[NH2+]CC2)C1 ZINC001246594384 988189699 /nfs/dbraw/zinc/18/96/99/988189699.db2.gz QIULNFJFAMKGCA-QWHCGFSZSA-N 3 0 225.380 1.189 20 0 BDADRP C[C@@H]1C[C@@H](N2CCC[C@]3(CCCC[NH2+]3)C2)C[NH2+]1 ZINC001246611651 988235465 /nfs/dbraw/zinc/23/54/65/988235465.db2.gz GUHBFVRRPVYEIQ-MGPQQGTHSA-N 2 0 237.391 1.345 20 0 BDADRP C1[NH2+]CC12CC[C@@H]([N@@H+]1CCC[C@@]13CCC[NH2+]C3)C2 ZINC001246611068 988236446 /nfs/dbraw/zinc/23/64/46/988236446.db2.gz RHYBSJZVHBQDNX-UKRRQHHQSA-N 3 0 249.402 1.347 20 0 BDADRP C1[NH2+]CC12CC[C@H]([N@@H+]1CCC[C@@]13CCC[NH2+]C3)C2 ZINC001246611064 988242900 /nfs/dbraw/zinc/24/29/00/988242900.db2.gz RHYBSJZVHBQDNX-DZGCQCFKSA-N 3 0 249.402 1.347 20 0 BDADRP C[C@@H]1C[C@@H](N2CCC[C@]3(CCC[NH2+]C3)C2)C[NH2+]1 ZINC001246614441 988262037 /nfs/dbraw/zinc/26/20/37/988262037.db2.gz SZEQNJCZVBGQNW-MCIONIFRSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@@H]1C[C@@H]([NH+]2CCC(F)(C[NH3+])CC2)C[C@H](C)[NH2+]1 ZINC001246623227 988276520 /nfs/dbraw/zinc/27/65/20/988276520.db2.gz BNOWKHBFQFOIGR-ZSBIGDGJSA-N 3 0 243.370 1.278 20 0 BDADRP C1C[C@@]2(C[NH2+]1)CCCN(C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246623562 988284018 /nfs/dbraw/zinc/28/40/18/988284018.db2.gz AROAXBYPZNJWPU-IZGVIRRGSA-N 2 0 249.402 1.345 20 0 BDADRP C1C[NH2+][C@]2(C1)CCCN(C1CC[NH2+]CC1)CC2 ZINC001246629610 988305171 /nfs/dbraw/zinc/30/51/71/988305171.db2.gz FNYWJZQEYKERON-CQSZACIVSA-N 2 0 237.391 1.347 20 0 BDADRP CC(C)[NH+]1CCC(N2CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001246636967 988328906 /nfs/dbraw/zinc/32/89/06/988328906.db2.gz HPJHLWLAYFMXCJ-ZIAGYGMSSA-N 2 0 237.391 1.295 20 0 BDADRP C[NH2+]CC[C@H](C)N1CCCC[C@]12CC[NH2+]C2 ZINC001246642353 988345859 /nfs/dbraw/zinc/34/58/59/988345859.db2.gz IRNKOUVIPWCPBX-QWHCGFSZSA-N 2 0 225.380 1.202 20 0 BDADRP C[C@H]1C[C@H]([N@@H+]2CCCC[C@]23CC[NH2+]C3)CCO1 ZINC001246643021 988357807 /nfs/dbraw/zinc/35/78/07/988357807.db2.gz LRMXUVCMIWZZAM-BFHYXJOUSA-N 2 0 238.375 1.772 20 0 BDADRP C[C@@H]1CCC[C@@H]([N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)C1 ZINC001246644242 988357843 /nfs/dbraw/zinc/35/78/43/988357843.db2.gz RHLWSDRQMQGRMN-MCIONIFRSA-N 2 0 237.391 1.202 20 0 BDADRP N[C@]12C[C@H]1C[N@@H+](C1CCC3(CCC[NH2+]C3)CC1)C2 ZINC001246646232 988365731 /nfs/dbraw/zinc/36/57/31/988365731.db2.gz PEDFLCWGHXGEPN-PPWQZUPISA-N 2 0 249.402 1.332 20 0 BDADRP C1CC2(CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)[NH2+]1 ZINC001246649866 988370768 /nfs/dbraw/zinc/37/07/68/988370768.db2.gz QPMLYPUIRWNQIQ-FUNVUKJBSA-N 2 0 235.375 1.097 20 0 BDADRP C1CC[C@@]2(CCC[NH2+]C2)N([C@H]2CCC[NH2+]C2)C1 ZINC001246650897 988377774 /nfs/dbraw/zinc/37/77/74/988377774.db2.gz JRWOIMSKQQEMKP-KBPBESRZSA-N 2 0 237.391 1.347 20 0 BDADRP C1C[C@@H]2CC[N@@H+]([C@H]3CCC[NH2+]C3)C[C@H]2C1 ZINC001246657448 988388312 /nfs/dbraw/zinc/38/83/12/988388312.db2.gz QMAHJCPQQJIMTA-UPJWGTAASA-N 2 0 208.349 1.860 20 0 BDADRP C[C@@H]1CC(N2C[C@H]3CCC[NH2+][C@H]3C2)C[C@@H](C)[NH2+]1 ZINC001246659387 988389987 /nfs/dbraw/zinc/38/99/87/988389987.db2.gz SACBNFKDHSBAKA-BYNQJWBRSA-N 2 0 237.391 1.199 20 0 BDADRP CCCC[C@@H]1C[C@@H]([N@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)CC[NH2+]1 ZINC001246660676 988391496 /nfs/dbraw/zinc/39/14/96/988391496.db2.gz IVDFXZKWGJUXKH-XHJNMGKDSA-N 3 0 237.391 1.186 20 0 BDADRP C[NH2+][C@H](C)CCNC(=O)C[C@@H](C[NH3+])CC(C)C ZINC001118505638 988405161 /nfs/dbraw/zinc/40/51/61/988405161.db2.gz FTLVXULFYGDHJR-NEPJUHHUSA-N 2 0 243.395 1.112 20 0 BDADRP C1C[C@H]2CC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]2O1 ZINC001246668611 988408525 /nfs/dbraw/zinc/40/85/25/988408525.db2.gz ZVLGARIRAAJOPZ-YIPFDTCYSA-N 2 0 236.359 1.380 20 0 BDADRP Cc1nc2c(n1[C@H]1CC[NH2+][C@H](C)C1)CC[NH2+]CC2 ZINC001246668413 988411162 /nfs/dbraw/zinc/41/11/62/988411162.db2.gz YGDPAVOOMPTAOH-PWSUYJOCSA-N 2 0 248.374 1.193 20 0 BDADRP Cc1nc2c(n1[C@@H]1CC[NH2+][C@H](C)C1)CC[NH2+]CC2 ZINC001246668414 988411442 /nfs/dbraw/zinc/41/14/42/988411442.db2.gz YGDPAVOOMPTAOH-ZYHUDNBSSA-N 2 0 248.374 1.193 20 0 BDADRP C1N([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)CC12CCC[NH2+]2 ZINC001246667482 988412228 /nfs/dbraw/zinc/41/22/28/988412228.db2.gz KVPOCOCXEWYRQW-KGLIPLIRSA-N 2 0 249.402 1.347 20 0 BDADRP CC[C@@H]1CC(N2C[C@H]3C[C@@H](C2)[NH2+]3)C[C@@H](CC)[NH2+]1 ZINC001246674665 988418912 /nfs/dbraw/zinc/41/89/12/988418912.db2.gz ACQWSSZSVYLUPX-LPWJVIDDSA-N 2 0 237.391 1.342 20 0 BDADRP CN([C@@H]1CCC[NH2+]C1)[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246677355 988422086 /nfs/dbraw/zinc/42/20/86/988422086.db2.gz HUZXQBNVSXAFIP-NWDGAFQWSA-N 2 0 225.380 1.201 20 0 BDADRP CN(CC1CC[NH2+]CC1)[C@@H]1CCCC[NH2+]C1 ZINC001246679949 988430305 /nfs/dbraw/zinc/43/03/05/988430305.db2.gz ZRUNLXBJWWLALN-CYBMUJFWSA-N 2 0 225.380 1.060 20 0 BDADRP CC(C)[C@@H]1CN(C2C[C@@H](C)[NH2+][C@H](C)C2)CC[NH2+]1 ZINC001246686395 988431453 /nfs/dbraw/zinc/43/14/53/988431453.db2.gz MJCQABZFHOXMBC-BZPMIXESSA-N 2 0 239.407 1.445 20 0 BDADRP CC[C@H]1C[NH2+]CCN1[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246806598 988488360 /nfs/dbraw/zinc/48/83/60/988488360.db2.gz XQPKYNGCCDFCQF-STQMWFEESA-N 2 0 237.391 1.345 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CC[C@@]3(CC3(F)F)C2)CC[NH2+]1 ZINC001246806236 988490192 /nfs/dbraw/zinc/49/01/92/988490192.db2.gz HDVMBYIRCBFAOE-GMTAPVOTSA-N 2 0 230.302 1.858 20 0 BDADRP CC[NH2+]C1CCN([C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246807050 988492553 /nfs/dbraw/zinc/49/25/53/988492553.db2.gz MTEAKXFWBPGSTP-AAEUAGOBSA-N 2 0 225.380 1.201 20 0 BDADRP C[NH2+][C@@H]1CCN([C@@H]2CC[NH2+][C@H](C(C)C)C2)C1 ZINC001246811963 988496447 /nfs/dbraw/zinc/49/64/47/988496447.db2.gz FPWSUXFQPXTXBZ-UPJWGTAASA-N 2 0 225.380 1.057 20 0 BDADRP CC(C)C[C@H]1CN([C@H]2CC[C@@H](C)[NH2+]C2)CC[NH2+]1 ZINC001246821306 988507789 /nfs/dbraw/zinc/50/77/89/988507789.db2.gz JKKDFUXBYDDAJT-RDBSUJKOSA-N 2 0 239.407 1.447 20 0 BDADRP C[C@H]1CC(N(C)[C@@H]2CCC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC001246820817 988513257 /nfs/dbraw/zinc/51/32/57/988513257.db2.gz QIYPPOYMXHVDOD-SDDRHHMPSA-N 2 0 225.380 1.199 20 0 BDADRP CC[C@@H]1C[C@@H](N2C[C@@H](C)[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC001246824335 988515059 /nfs/dbraw/zinc/51/50/59/988515059.db2.gz MXBUCWZZUNDURY-XQHKEYJVSA-N 2 0 225.380 1.199 20 0 BDADRP CC[C@@H]1C[C@H](N2C[C@@H](C)[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC001246824337 988518091 /nfs/dbraw/zinc/51/80/91/988518091.db2.gz MXBUCWZZUNDURY-YVECIDJPSA-N 2 0 225.380 1.199 20 0 BDADRP CC(C)[C@H]1C[C@H](N2CCCC[C@H]2C[NH3+])CC[NH2+]1 ZINC001246830278 988522940 /nfs/dbraw/zinc/52/29/40/988522940.db2.gz RWPIFWIKTXZZPR-HZSPNIEDSA-N 2 0 239.407 1.576 20 0 BDADRP C[C@@H]1CC[C@H](N2CCC[C@@H]3C[N@H+](C)C[C@H]32)C[NH2+]1 ZINC001246830988 988523015 /nfs/dbraw/zinc/52/30/15/988523015.db2.gz JMZQMECMLZZUIJ-YIYPIFLZSA-N 2 0 237.391 1.153 20 0 BDADRP [NH3+]CCN(CC[NH3+])C1CCCCCCC1 ZINC001246831379 988529502 /nfs/dbraw/zinc/52/95/02/988529502.db2.gz NUXCLVJBNITNGO-UHFFFAOYSA-N 2 0 213.369 1.319 20 0 BDADRP C[C@@H]1CC[C@H](N(C)C[C@@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001246845325 988553166 /nfs/dbraw/zinc/55/31/66/988553166.db2.gz FMGQBXGXJCTCSY-UPJWGTAASA-N 2 0 225.380 1.058 20 0 BDADRP C[NH+]1CCC2(CCN([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC001246843876 988557488 /nfs/dbraw/zinc/55/74/88/988557488.db2.gz WZLHJFLIQNHAHN-CYBMUJFWSA-N 2 0 237.391 1.156 20 0 BDADRP C[C@@H]1CCC[C@H]([N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)C1 ZINC001246850667 988564577 /nfs/dbraw/zinc/56/45/77/988564577.db2.gz CNFFIVJRCIIOCJ-VOAKCMCISA-N 2 0 208.349 1.988 20 0 BDADRP C[C@@H]1C[C@H]([NH+]2CCC(n3ccnc3)CC2)CC[NH2+]1 ZINC001246847509 988565990 /nfs/dbraw/zinc/56/59/90/988565990.db2.gz SOLFSBKGYUZOPK-TZMCWYRMSA-N 2 0 248.374 1.661 20 0 BDADRP CCN([C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC001246853196 988572483 /nfs/dbraw/zinc/57/24/83/988572483.db2.gz HYDNWOVFLHRUFT-UPJWGTAASA-N 2 0 225.380 1.201 20 0 BDADRP CC1CCC([N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001246851738 988573545 /nfs/dbraw/zinc/57/35/45/988573545.db2.gz HCELYAANEFMLBT-POOIEITISA-N 2 0 208.349 1.988 20 0 BDADRP [NH3+][C@@]12CC[C@H]1C[N@@H+](C1C[C@H]3CC[C@@H](C1)O3)C2 ZINC001246856288 988575925 /nfs/dbraw/zinc/57/59/25/988575925.db2.gz WPIZMTRMQWMOQE-OFIBSPLFSA-N 2 0 222.332 1.120 20 0 BDADRP CC[N@H+](C1CCC([NH2+]C)CC1)[C@@H]1CCCNC1 ZINC001246855728 988577739 /nfs/dbraw/zinc/57/77/39/988577739.db2.gz WVNIPYUXAPCVTQ-JXQTWKCFSA-N 2 0 239.407 1.591 20 0 BDADRP CCN([C@@H](C)CC[NH2+]C)[C@H]1CCC[NH2+]C1 ZINC001246856126 988580128 /nfs/dbraw/zinc/58/01/28/988580128.db2.gz YNKCVKCVHMOQFG-RYUDHWBXSA-N 2 0 213.369 1.058 20 0 BDADRP C[C@H]1CCC[C@H]([N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])C1 ZINC001246859918 988586546 /nfs/dbraw/zinc/58/65/46/988586546.db2.gz MPAYCNIFCHUQNT-VJBQPNPTSA-N 2 0 238.375 1.471 20 0 BDADRP [NH3+][C@]12CC[C@@H]1C[N@@H+]([C@H]1CCC[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246861355 988602694 /nfs/dbraw/zinc/60/26/94/988602694.db2.gz PBJFJRKBAUVNPF-BARDWOONSA-N 3 0 249.402 1.332 20 0 BDADRP [NH3+][C@@]12CC[C@H]1C[N@@H+](C1CCC3(CC[NH2+]C3)CC1)C2 ZINC001246865047 988613414 /nfs/dbraw/zinc/61/34/14/988613414.db2.gz XPWNYDBFWNKCTD-VXGQWTEUSA-N 3 0 249.402 1.332 20 0 BDADRP CC[C@@H]1C[C@H](N2C[C@H]3CC[C@@H](C2)[NH2+]C3)CC[NH2+]1 ZINC001246867500 988619764 /nfs/dbraw/zinc/61/97/64/988619764.db2.gz OKWXPKLHYJUASQ-RFQIPJPRSA-N 2 0 237.391 1.201 20 0 BDADRP C[C@@H]1C[C@H]([NH+]2CC3(C2)CC[NH+](C)CC3)CC[NH2+]1 ZINC001246871859 988633692 /nfs/dbraw/zinc/63/36/92/988633692.db2.gz NYKBDOUHIUFJAO-CHWSQXEVSA-N 3 0 237.391 1.155 20 0 BDADRP C[NH2+]C1CCC([N@@H+]2C[C@H](C)NC[C@@H]2C)CC1 ZINC001246873572 988637549 /nfs/dbraw/zinc/63/75/49/988637549.db2.gz RZSNQCKRMJITMK-ZSVAQUKISA-N 2 0 225.380 1.199 20 0 BDADRP CC[C@H]1C[C@H](N2CCC[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC001246875596 988642447 /nfs/dbraw/zinc/64/24/47/988642447.db2.gz HUYMURCOGHHVSO-RWMBFGLXSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@H]1C[C@H](N2CCC3(C[NH+](C)C3)CC2)CC[NH2+]1 ZINC001246875888 988645684 /nfs/dbraw/zinc/64/56/84/988645684.db2.gz PVBDBUPGPPMIIP-QWHCGFSZSA-N 2 0 237.391 1.155 20 0 BDADRP CC[C@H]1C[C@@H](N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC001246883060 988650830 /nfs/dbraw/zinc/65/08/30/988650830.db2.gz UHIYSJURCYKYSJ-FQUUOJAGSA-N 2 0 237.391 1.343 20 0 BDADRP CCN(CC[NH2+]C)[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246890330 988661606 /nfs/dbraw/zinc/66/16/06/988661606.db2.gz JELKTDYBGWPRCN-GFCCVEGCSA-N 2 0 225.380 1.202 20 0 BDADRP C[C@@H]1C[C@H](N(C2CC2)[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246905039 988678653 /nfs/dbraw/zinc/67/86/53/988678653.db2.gz KDQSDJFHTCQQCG-BNOWGMLFSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@@H]1C[C@H](N2CC[C@@H]([N@H+](C)C3CC3)C2)CC[NH2+]1 ZINC001246910126 988686461 /nfs/dbraw/zinc/68/64/61/988686461.db2.gz KNDPNGYDPIATKX-MRVWCRGKSA-N 2 0 237.391 1.295 20 0 BDADRP C[N@H+](CCO)[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246911666 988697086 /nfs/dbraw/zinc/69/70/86/988697086.db2.gz IHPICQCMAQKWRM-LSDHHAIUSA-N 2 0 248.370 1.274 20 0 BDADRP CCC[C@@H]1C[NH2+]CCN1[C@H]1CCC[NH2+]CC1 ZINC001246914112 988707732 /nfs/dbraw/zinc/70/77/32/988707732.db2.gz CLPMJQHFHWAOAH-QWHCGFSZSA-N 2 0 225.380 1.202 20 0 BDADRP C1CC1[NH2+][C@H]1CCCN([C@H]2CCC3(C[NH2+]C3)C2)C1 ZINC001246916298 988716355 /nfs/dbraw/zinc/71/63/55/988716355.db2.gz HFPYECRCBXSLCN-KBPBESRZSA-N 2 0 249.402 1.345 20 0 BDADRP C1CC1N([C@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]CC1 ZINC001246917000 988719673 /nfs/dbraw/zinc/71/96/73/988719673.db2.gz NDGABZOSFREKDY-OCCSQVGLSA-N 2 0 237.391 1.345 20 0 BDADRP NC[C@H]1CCC[N@@H+]1[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246917616 988721533 /nfs/dbraw/zinc/72/15/33/988721533.db2.gz RQOGZSDQEAITFE-MJBXVCDLSA-N 2 0 237.391 1.332 20 0 BDADRP CC(C)C[NH+]1CCC(N2C[C@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246920992 988723558 /nfs/dbraw/zinc/72/35/58/988723558.db2.gz QLBJJQNEUCMGCL-OCCSQVGLSA-N 2 0 237.391 1.010 20 0 BDADRP CC(C)[N@H+](CCCCCO)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246925067 988748743 /nfs/dbraw/zinc/74/87/43/988748743.db2.gz KULQREPLQKLFCQ-UONOGXRCSA-N 2 0 242.407 2.000 20 0 BDADRP C1[NH2+][C@@H]2C[N@@H+](C3CCC4(CCC[NH2+]C4)CC3)C[C@@H]12 ZINC001246924882 988752068 /nfs/dbraw/zinc/75/20/68/988752068.db2.gz NIOTZTBVIWTOSD-FEWQNLEASA-N 3 0 249.402 1.202 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246945772 988777932 /nfs/dbraw/zinc/77/79/32/988777932.db2.gz XWLRMCYGPNRTRW-MELADBBJSA-N 2 0 241.423 1.789 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](n3ccnn3)C2)CC[NH2+]1 ZINC001246944557 988777963 /nfs/dbraw/zinc/77/79/63/988777963.db2.gz HVQWBOREVSHHAH-AGIUHOORSA-N 2 0 249.362 1.056 20 0 BDADRP C1C[C@@]2(CCOC2)[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246945785 988778375 /nfs/dbraw/zinc/77/83/75/988778375.db2.gz XZINAGOVEXVYHD-HNGCFSAESA-N 2 0 222.332 1.134 20 0 BDADRP C[C@@H]1CN([C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[C@@H](C)[NH2+]1 ZINC001246968300 988792147 /nfs/dbraw/zinc/79/21/47/988792147.db2.gz KEWKSLCYQLQHMU-XGFWRYKXSA-N 2 0 237.391 1.342 20 0 BDADRP CC(C)N([C@H]1CC[NH2+]C1)C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246972103 988799379 /nfs/dbraw/zinc/79/93/79/988799379.db2.gz JKTCVWFJHGIQNH-AVGNSLFASA-N 2 0 239.407 1.588 20 0 BDADRP CC(C)N([C@H]1CC[NH2+]C1)[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246970229 988800653 /nfs/dbraw/zinc/80/06/53/988800653.db2.gz YGCQTSNTFBKZRI-STQMWFEESA-N 2 0 239.407 1.589 20 0 BDADRP CC[C@H]([NH3+])CN(C)[C@@H](C)CC[NH+](CC)CC ZINC001246972725 988801666 /nfs/dbraw/zinc/80/16/66/988801666.db2.gz FRXMQHYSPFMVLU-STQMWFEESA-N 2 0 229.412 1.776 20 0 BDADRP CC[C@H]([NH3+])CN(C)[C@@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246972740 988805341 /nfs/dbraw/zinc/80/53/41/988805341.db2.gz GHAJAHYUBVLQHR-FQUUOJAGSA-N 2 0 241.423 1.965 20 0 BDADRP C[C@@H]1C[C@H](N(C[C@@H]2CCC[NH2+]C2)C2CC2)C[NH2+]1 ZINC001246976241 988805354 /nfs/dbraw/zinc/80/53/54/988805354.db2.gz VUSXFIAJHXXHTA-BZPMIXESSA-N 2 0 237.391 1.201 20 0 BDADRP C[C@H]([NH3+])CN(C)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246981181 988809695 /nfs/dbraw/zinc/80/96/95/988809695.db2.gz NIFXZQIUKRGFFP-SDDRHHMPSA-N 2 0 227.396 1.432 20 0 BDADRP CC[C@@H]1C[C@@H](N2C[C@H](C)C[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246982613 988816975 /nfs/dbraw/zinc/81/69/75/988816975.db2.gz GJMKCRGCKQTYSL-LPWJVIDDSA-N 2 0 225.380 1.186 20 0 BDADRP C[C@@H]1CC[C@@H](N2CC[NH2+]C3=CCCC[C@@H]32)C[NH2+]1 ZINC001246991800 988823675 /nfs/dbraw/zinc/82/36/75/988823675.db2.gz BZKFOJPVBXJVOT-BZPMIXESSA-N 2 0 235.375 1.469 20 0 BDADRP C[C@@H]1CC[C@H](N2CC[NH2+]C3=CCCC[C@@H]32)C[NH2+]1 ZINC001246991801 988825756 /nfs/dbraw/zinc/82/57/56/988825756.db2.gz BZKFOJPVBXJVOT-DYEKYZERSA-N 2 0 235.375 1.469 20 0 BDADRP C[N@@H+]1CCN([C@H]2CCC[NH2+]C2)C2(CCCC2)C1 ZINC001246990752 988825993 /nfs/dbraw/zinc/82/59/93/988825993.db2.gz IYNMWAGVEJUAAS-ZDUSSCGKSA-N 2 0 237.391 1.299 20 0 BDADRP CCCN(C[C@@H]1CC[NH2+]C1)[C@H](C)CC[NH2+]C ZINC001246997045 988828441 /nfs/dbraw/zinc/82/84/41/988828441.db2.gz USNDCBVUGRJEOV-CHWSQXEVSA-N 2 0 227.396 1.306 20 0 BDADRP CC[C@@H]1CC(N2C[C@@H]([NH3+])C[C@H]2C)C[C@@H](CC)[NH2+]1 ZINC001246997499 988831102 /nfs/dbraw/zinc/83/11/02/988831102.db2.gz NEGCNWOSJZJUEI-YVECIDJPSA-N 2 0 239.407 1.717 20 0 BDADRP CC[C@@H]1C[C@@H](N2CC[NH2+]C2)C[C@H](CC)[NH2+]1 ZINC001246997611 988832390 /nfs/dbraw/zinc/83/23/90/988832390.db2.gz WEXGDFCAPMHJIH-ZSBIGDGJSA-N 2 0 211.353 1.158 20 0 BDADRP C[C@@H]1CC[C@H](N2CCC[C@](C)(C[NH3+])C2)C[NH2+]1 ZINC001247001863 988832625 /nfs/dbraw/zinc/83/26/25/988832625.db2.gz MHMWCKZDADRMFS-FRRDWIJNSA-N 2 0 225.380 1.188 20 0 BDADRP O=C1CCC[C@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]12 ZINC001247006160 988836247 /nfs/dbraw/zinc/83/62/47/988836247.db2.gz TWAVRUQGQFBBSE-MWWBDVBNSA-N 2 0 248.370 1.570 20 0 BDADRP C[C@H]1C[C@H](N2CC[C@@H]3[NH2+]CCC[C@@H]3C2)CC[NH2+]1 ZINC001247016368 988843426 /nfs/dbraw/zinc/84/34/26/988843426.db2.gz ULQSAIQAEUANAC-DGAVXFQQSA-N 2 0 237.391 1.201 20 0 BDADRP CC1(C)C[C@H]([N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)CO1 ZINC001247016158 988844840 /nfs/dbraw/zinc/84/48/40/988844840.db2.gz SAODTXBAROGNRD-RWMBFGLXSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@H]1C[C@H](N2CC[C@H]3[NH2+]CCC[C@H]3C2)CCO1 ZINC001247017135 988845682 /nfs/dbraw/zinc/84/56/82/988845682.db2.gz ZVSNLINUDRTWSX-IGQOVBAYSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@@H](Cn1cccn1)[NH2+]CC[C@H](C)[NH+](C)C ZINC001119449511 989080502 /nfs/dbraw/zinc/08/05/02/989080502.db2.gz ACBYUAUFVINFAA-RYUDHWBXSA-N 2 0 224.352 1.201 20 0 BDADRP C[NH2+][C@H](C)CCN[C@H]1CC[NH2+]C12CCCC2 ZINC001119631198 989267782 /nfs/dbraw/zinc/26/77/82/989267782.db2.gz POYFTRHNJQRPMY-NEPJUHHUSA-N 2 0 225.380 1.249 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+]Cc1cccc(OC)c1 ZINC001326075188 989365757 /nfs/dbraw/zinc/36/57/57/989365757.db2.gz ILBQEQTVDRPBQX-LLVKDONJSA-N 2 0 222.332 1.783 20 0 BDADRP C[C@@]1(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)CC[NH2+]C1 ZINC001326231872 989435139 /nfs/dbraw/zinc/43/51/39/989435139.db2.gz LKTXIZHUMORNRY-QNMSZWNNSA-N 2 0 238.375 1.079 20 0 BDADRP C[C@@H](CCO)[NH2+]CCC1CC[NH+](C)CC1 ZINC001120007003 989560791 /nfs/dbraw/zinc/56/07/91/989560791.db2.gz DRCIXIGWKAPQCM-NSHDSACASA-N 2 0 214.353 1.079 20 0 BDADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH3+] ZINC001326688031 989652018 /nfs/dbraw/zinc/65/20/18/989652018.db2.gz MZZSKYQQHYKABO-NWDGAFQWSA-N 2 0 241.379 1.104 20 0 BDADRP CCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH3+])CC ZINC001326688131 989652653 /nfs/dbraw/zinc/65/26/53/989652653.db2.gz OYLQGKQWCWHIGD-NEPJUHHUSA-N 2 0 241.379 1.104 20 0 BDADRP C[NH2+][C@H](C)CCNC(=O)[C@](C)(C[NH3+])CC(C)C ZINC001120547524 989710266 /nfs/dbraw/zinc/71/02/66/989710266.db2.gz YFHAYLYWVNAAKQ-YPMHNXCESA-N 2 0 243.395 1.112 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC001521900137 989814553 /nfs/dbraw/zinc/81/45/53/989814553.db2.gz JZXBPVZFMSSCEV-TUAOUCFPSA-N 2 0 241.379 1.088 20 0 BDADRP C[C@@H]1CC[C@H](NC(=O)c2ccccc2C[NH3+])C[NH2+]1 ZINC001522197209 989837770 /nfs/dbraw/zinc/83/77/70/989837770.db2.gz QALXNOMKAQSCCJ-PWSUYJOCSA-N 2 0 247.342 1.016 20 0 BDADRP C[C@H]1CC[C@@H](NC(=O)c2ccccc2C[NH3+])C[NH2+]1 ZINC001522197207 989838245 /nfs/dbraw/zinc/83/82/45/989838245.db2.gz QALXNOMKAQSCCJ-CMPLNLGQSA-N 2 0 247.342 1.016 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)CC(C)(C)C[NH3+])c1 ZINC001121998811 990171230 /nfs/dbraw/zinc/17/12/30/990171230.db2.gz AVXNPPNGJBYRDQ-UHFFFAOYSA-N 2 0 249.358 1.767 20 0 BDADRP CC(C)C[C@@H]([NH3+])CC(=O)N[C@@H](C)CCCC[NH3+] ZINC001122023169 990190993 /nfs/dbraw/zinc/19/09/93/990190993.db2.gz YQESGOKCKOZZPS-NWDGAFQWSA-N 2 0 243.395 1.384 20 0 BDADRP CCOC(=O)CCC[C@@H](C)[NH2+]CCC[NH+](C)C ZINC001258098506 991006927 /nfs/dbraw/zinc/00/69/27/991006927.db2.gz XEFQYQQMFGPGNZ-GFCCVEGCSA-N 2 0 244.379 1.650 20 0 BDADRP CC[NH+]1CCC(C[N@H+](C)CC2(CO)CC2)CC1 ZINC001308700789 991099419 /nfs/dbraw/zinc/09/94/19/991099419.db2.gz CNKXZEBGJUFYPA-UHFFFAOYSA-N 2 0 240.391 1.423 20 0 BDADRP CSCC[C@@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC001258199216 991116180 /nfs/dbraw/zinc/11/61/80/991116180.db2.gz VVFZEPCBIGXUOM-OUAUKWLOSA-N 2 0 216.394 1.988 20 0 BDADRP Cc1n[nH]c(C)c1C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001139099924 991147560 /nfs/dbraw/zinc/14/75/60/991147560.db2.gz AYMZLBBOEDRQEA-UHFFFAOYSA-N 2 0 248.374 1.554 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@@]2(C)CCCCO2)C1 ZINC001308838315 991168719 /nfs/dbraw/zinc/16/87/19/991168719.db2.gz ISBZEEBDNTXHAH-HZSPNIEDSA-N 2 0 240.391 1.875 20 0 BDADRP CC1(C)CCC[C@@H](NC(=[NH2+])NCCCC[NH3+])C1 ZINC001258273509 991199616 /nfs/dbraw/zinc/19/96/16/991199616.db2.gz IPCZVSDNMGVIIK-LLVKDONJSA-N 2 0 240.395 1.808 20 0 BDADRP C[C@@H]1CC[C@@H]1[NH2+]C[C@H]1C[NH+]2CCC1CC2 ZINC001308966227 991232333 /nfs/dbraw/zinc/23/23/33/991232333.db2.gz QDWOOODDABYHDJ-WXHSDQCUSA-N 2 0 208.349 1.716 20 0 BDADRP COC(=O)CC[C@@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC001258345352 991271226 /nfs/dbraw/zinc/27/12/26/991271226.db2.gz IBLDAEZBZDMKQQ-GFCCVEGCSA-N 2 0 242.363 1.404 20 0 BDADRP CCC1(C[N@H+](C)CC2CC[NH+](C)CC2)COC1 ZINC001202957528 991309050 /nfs/dbraw/zinc/30/90/50/991309050.db2.gz DIEPAKDHPPNJQO-UHFFFAOYSA-N 2 0 240.391 1.687 20 0 BDADRP CC[C@@](C)(O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001560187058 991404801 /nfs/dbraw/zinc/40/48/01/991404801.db2.gz VTAJAUPKEJUIHV-FRRDWIJNSA-N 2 0 226.364 1.031 20 0 BDADRP C[C@@H](CC1CC1)[NH2+]CCC[N@H+](C)CCO ZINC001258456181 991409622 /nfs/dbraw/zinc/40/96/22/991409622.db2.gz HXCSXGXAFJEBKQ-NSHDSACASA-N 2 0 214.353 1.079 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]C3CCSCC3)[C@H]2C1 ZINC001560623514 991522853 /nfs/dbraw/zinc/52/28/53/991522853.db2.gz ZPRGEOYSTALLFM-DRZSPHRISA-N 2 0 240.416 1.812 20 0 BDADRP CC[N@H+](C)CCC(=O)NCC[NH+](C)CC(C)C ZINC001317466242 991526639 /nfs/dbraw/zinc/52/66/39/991526639.db2.gz YQYPFYVJRCHCPZ-UHFFFAOYSA-N 2 0 243.395 1.032 20 0 BDADRP CCCCC[C@@H](CCC)[N@H+](CCN)CCO ZINC001258660927 991588031 /nfs/dbraw/zinc/58/80/31/991588031.db2.gz AQNUKRABKJUFNJ-CYBMUJFWSA-N 2 0 230.396 1.988 20 0 BDADRP CC[NH+]1CCC(C[NH2+]Cc2ccc[nH]c2=O)CC1 ZINC001560957523 991669657 /nfs/dbraw/zinc/66/96/57/991669657.db2.gz IXVJOJCAZGMYMC-UHFFFAOYSA-N 2 0 249.358 1.609 20 0 BDADRP CCC[NH2+][C@H](CC)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001318541993 991677963 /nfs/dbraw/zinc/67/79/63/991677963.db2.gz QJCVYHCPJHYAQH-VXGBXAGGSA-N 2 0 243.395 1.221 20 0 BDADRP CCCC[C@@H](CCC)[NH2+]C[C@@H](C[NH3+])C(=O)OC ZINC001258755061 991692736 /nfs/dbraw/zinc/69/27/36/991692736.db2.gz CMSVUVBSDIBFED-VXGBXAGGSA-N 2 0 244.379 1.683 20 0 BDADRP CC1(C)C[C@H]([NH2+]C[C@H]2C[NH+]3CCC2CC3)CO1 ZINC001561034671 991694772 /nfs/dbraw/zinc/69/47/72/991694772.db2.gz YVLKVADBZWRDFF-STQMWFEESA-N 2 0 238.375 1.485 20 0 BDADRP CCC[NH+]1CCC(n2ccc([C@@H](C)[NH3+])n2)CC1 ZINC001258766864 991725096 /nfs/dbraw/zinc/72/50/96/991725096.db2.gz GXVXLLKCOMHWFT-LLVKDONJSA-N 2 0 236.363 1.950 20 0 BDADRP CCC[NH+]1CCC(N(CC[NH3+])C(C)C)CC1 ZINC001258764844 991728018 /nfs/dbraw/zinc/72/80/18/991728018.db2.gz OTVNAMYILRVMEC-UHFFFAOYSA-N 2 0 227.396 1.530 20 0 BDADRP CC[C@H](C)C[C@H](CC)[NH2+]C[C@H](C[NH3+])C(=O)OC ZINC001258779158 991746855 /nfs/dbraw/zinc/74/68/55/991746855.db2.gz AKGBAGAWNKOOFT-SRVKXCTJSA-N 2 0 244.379 1.539 20 0 BDADRP C[C@H]1CCC[C@H](NC(=[NH2+])NCCCC[NH3+])C1 ZINC001258809215 991813765 /nfs/dbraw/zinc/81/37/65/991813765.db2.gz WOWYOYPIKIILGF-QWRGUYRKSA-N 2 0 226.368 1.418 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C(C)(C)CN ZINC001258898752 991894904 /nfs/dbraw/zinc/89/49/04/991894904.db2.gz RLNKQXZWDXPJOU-GFCCVEGCSA-N 2 0 229.412 1.824 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@@](C)(O)C1 ZINC001258910386 991899725 /nfs/dbraw/zinc/89/97/25/991899725.db2.gz QTHWLJBEOSPPCK-ZIAGYGMSSA-N 2 0 242.407 1.954 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001258907873 991901036 /nfs/dbraw/zinc/90/10/36/991901036.db2.gz NOZOZAINSPADEO-RWMBFGLXSA-N 2 0 246.370 1.512 20 0 BDADRP CC[C@H](C(=O)NC[C@H](C)C[NH2+]C(C)C)[NH+](C)C ZINC001568180128 992143990 /nfs/dbraw/zinc/14/39/90/992143990.db2.gz LKZKVRZFDSBBHQ-VXGBXAGGSA-N 2 0 243.395 1.077 20 0 BDADRP CCC[N@H+](C)CC(=O)N(CC)CC[NH2+]C(C)C ZINC001568793514 992218842 /nfs/dbraw/zinc/21/88/42/992218842.db2.gz OECMAXGRKUXVMQ-UHFFFAOYSA-N 2 0 243.395 1.175 20 0 BDADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+]C(C)C ZINC001569092243 992299917 /nfs/dbraw/zinc/29/99/17/992299917.db2.gz DSONELFAXGTCDM-LBPRGKRZSA-N 2 0 243.395 1.221 20 0 BDADRP CC[C@@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@H+](CC)C1 ZINC001261566654 992388127 /nfs/dbraw/zinc/38/81/27/992388127.db2.gz VBJWZHKWJXHBSJ-NEPJUHHUSA-N 2 0 240.395 1.631 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C(=O)NCCC(C)(C)[NH3+])cc1 ZINC001262042964 992630418 /nfs/dbraw/zinc/63/04/18/992630418.db2.gz CYJLNSHFALGMPO-SNVBAGLBSA-N 2 0 249.358 1.564 20 0 BDADRP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C1CC[NH2+]CC1 ZINC001573590178 992646635 /nfs/dbraw/zinc/64/66/35/992646635.db2.gz OLECYLRHGFALLJ-DOMZBBRYSA-N 2 0 248.370 1.493 20 0 BDADRP COc1ccc(C[NH+]2CCC(C[NH3+])CC2)o1 ZINC001574030292 992799459 /nfs/dbraw/zinc/79/94/59/992799459.db2.gz HLYYDSVJCWHPIS-UHFFFAOYSA-N 2 0 224.304 1.459 20 0 BDADRP [NH3+]CC1([C@@H]2CCCC[N@@H+]2CCF)CCC1 ZINC001262486366 992890606 /nfs/dbraw/zinc/89/06/06/992890606.db2.gz RTHMVCLMERUZPH-NSHDSACASA-N 2 0 214.328 1.939 20 0 BDADRP C(C[C@@H]1C[C@H]1C1CC1)[NH2+]C1CC2(C[NH2+]C2)C1 ZINC001574773922 992900996 /nfs/dbraw/zinc/90/09/96/992900996.db2.gz GUOLUMRXJPXOPB-YPMHNXCESA-N 2 0 220.360 1.764 20 0 BDADRP C1C[C@H]2C[C@@H]([NH2+][C@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)[C@@H]1O2 ZINC001574794550 992908195 /nfs/dbraw/zinc/90/81/95/992908195.db2.gz DUZDEMNLRHYTDP-BBMNEWJDSA-N 2 0 236.359 1.284 20 0 BDADRP C(N[C@@H]1CCC[NH2+]CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001574801504 992913271 /nfs/dbraw/zinc/91/32/71/992913271.db2.gz QMYANWCGVQZENL-ZIAGYGMSSA-N 2 0 237.391 1.060 20 0 BDADRP C/C(=C\c1ccccc1)C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC001574978782 992958902 /nfs/dbraw/zinc/95/89/02/992958902.db2.gz BLSAGULCUPBTJW-CEOLHISLSA-N 2 0 246.354 1.260 20 0 BDADRP CC(C)(C)N1CC[C@@H]([NH2+]C2CC3(C[C@@H]3[NH3+])C2)C1 ZINC001575138865 992999064 /nfs/dbraw/zinc/99/90/64/992999064.db2.gz GXOUNWYUHGCTAS-JJMZSNKZSA-N 2 0 237.391 1.329 20 0 BDADRP CC(C)[C@@H](CC(F)(F)F)[NH2+]C[C@@H](O)CC[NH3+] ZINC001575423530 993034382 /nfs/dbraw/zinc/03/43/82/993034382.db2.gz WIVIOBDEUULSRT-DTWKUNHWSA-N 2 0 242.285 1.263 20 0 BDADRP CC(C)[C@@H](CC(F)(F)F)[NH2+]C[C@H](O)CC[NH3+] ZINC001575423532 993034634 /nfs/dbraw/zinc/03/46/34/993034634.db2.gz WIVIOBDEUULSRT-RKDXNWHRSA-N 2 0 242.285 1.263 20 0 BDADRP CC(C)[C@@H]([NH3+])C[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC001575460609 993046085 /nfs/dbraw/zinc/04/60/85/993046085.db2.gz NJWYBVKAXVIKLJ-QEHJDLSMSA-N 2 0 238.375 1.373 20 0 BDADRP CC(C)COCCC[NH2+]CC12CC(C1)C[NH2+]2 ZINC001575612044 993082987 /nfs/dbraw/zinc/08/29/87/993082987.db2.gz FEUFEXLBQLBYGM-UHFFFAOYSA-N 2 0 226.364 1.391 20 0 BDADRP CC(C)C[C@@H](CN(C)C)[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001575619599 993086284 /nfs/dbraw/zinc/08/62/84/993086284.db2.gz ZZUUXWDQQFHAHX-AHPWVWPOSA-N 2 0 239.407 1.432 20 0 BDADRP CC(C)C[C@H]1COCC[N@@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001575648798 993093080 /nfs/dbraw/zinc/09/30/80/993093080.db2.gz OSLGIUOSJCVSPJ-MJBXVCDLSA-N 2 0 240.391 1.861 20 0 BDADRP CC[NH+](CC)CCNC(=O)C[C@H]([NH3+])CC(C)C ZINC001263091921 993107221 /nfs/dbraw/zinc/10/72/21/993107221.db2.gz AADUIIFWKLPHCG-GFCCVEGCSA-N 2 0 243.395 1.208 20 0 BDADRP CC(C)[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)C(C)(C)O ZINC001575842661 993113480 /nfs/dbraw/zinc/11/34/80/993113480.db2.gz TYZIMXFJTVEZEF-WOPDTQHZSA-N 2 0 228.380 1.227 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)NC(C)(C)CCC[NH3+] ZINC001263109094 993121449 /nfs/dbraw/zinc/12/14/49/993121449.db2.gz OIWNAVAAJBHNNH-NSHDSACASA-N 2 0 243.395 1.384 20 0 BDADRP C[C@H](CC1CCCC1)[NH2+]C[C@]1(O)CC[NH2+]C1 ZINC001575933708 993121694 /nfs/dbraw/zinc/12/16/94/993121694.db2.gz JRVMVSLMRZPBAF-YPMHNXCESA-N 2 0 226.364 1.269 20 0 BDADRP C[C@H](CC[NH+](C)C)NC[C@H]([NH3+])CC(F)(F)F ZINC001575954581 993138994 /nfs/dbraw/zinc/13/89/94/993138994.db2.gz VVWIZTWMHGBQJO-RKDXNWHRSA-N 2 0 241.301 1.196 20 0 BDADRP C[C@@H](CC1CCOCC1)[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC001575940935 993134557 /nfs/dbraw/zinc/13/45/57/993134557.db2.gz FDXIXJHOGIYPBB-DLOVCJGASA-N 2 0 212.337 1.271 20 0 BDADRP C[C@H](CCCO)C[NH2+]C1CC(CC[NH3+])C1 ZINC001575953844 993138211 /nfs/dbraw/zinc/13/82/11/993138211.db2.gz NYBVGUQYCNYZCB-VOMCLLRMSA-N 2 0 214.353 1.112 20 0 BDADRP C[C@H](CCN[C@H]1CC[NH2+]CC(C)(C)C1)[NH+](C)C ZINC001575966875 993144261 /nfs/dbraw/zinc/14/42/61/993144261.db2.gz ISMZDJRJXUOTIT-OLZOCXBDSA-N 2 0 241.423 1.694 20 0 BDADRP C[C@@](CO)([NH2+]C[C@H]1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC001576035927 993163598 /nfs/dbraw/zinc/16/35/98/993163598.db2.gz FOMQYOCJKKHTIR-CFVMTHIKSA-N 2 0 248.370 1.611 20 0 BDADRP CC(C)OC[C@@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC001576040637 993165731 /nfs/dbraw/zinc/16/57/31/993165731.db2.gz KLSLOUMRLOPDHN-UTUOFQBUSA-N 2 0 214.353 1.245 20 0 BDADRP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC001576053227 993167781 /nfs/dbraw/zinc/16/77/81/993167781.db2.gz UQIWTDLHYJBBOB-DLOVCJGASA-N 2 0 220.316 1.403 20 0 BDADRP C[C@H](Cc1ccno1)[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC001576066318 993170799 /nfs/dbraw/zinc/17/07/99/993170799.db2.gz MTMOVRPEXFMOJF-VWYCJHECSA-N 2 0 223.320 1.323 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](Cc2cc[nH]c(=O)c2)CC1 ZINC001576120356 993187536 /nfs/dbraw/zinc/18/75/36/993187536.db2.gz SWGOMYKDNPJYOR-JTQLQIEISA-N 2 0 235.331 1.346 20 0 BDADRP C[C@@H](C(=O)Nc1ccc(C(C)(C)[NH3+])cc1)[NH+](C)C ZINC001263256941 993190989 /nfs/dbraw/zinc/19/09/89/993190989.db2.gz JWTXKHHXHAUCAK-JTQLQIEISA-N 2 0 249.358 1.769 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001576153296 993192374 /nfs/dbraw/zinc/19/23/74/993192374.db2.gz SBKZXNAVEHQNPW-HNCHTBHHSA-N 2 0 236.363 1.239 20 0 BDADRP C[C@@H]([NH2+][C@@H]1COC2(C[NH2+]C2)C1)[C@@H]1C[C@H]1C1CC1 ZINC001576238799 993224791 /nfs/dbraw/zinc/22/47/91/993224791.db2.gz JALIXFHRKDWICI-IXOXFDKPSA-N 2 0 236.359 1.142 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)[C@H]1COC(C)(C)O1 ZINC001576239548 993225335 /nfs/dbraw/zinc/22/53/35/993225335.db2.gz PGUHSEDDUVECDJ-WHOHXGKFSA-N 2 0 242.363 1.386 20 0 BDADRP C[C@](O)(C[NH3+])C[N@H+](CCC1CC1)CC1CC1 ZINC001576259487 993236479 /nfs/dbraw/zinc/23/64/79/993236479.db2.gz PXLJTWVUJAWAOT-ZDUSSCGKSA-N 2 0 226.364 1.208 20 0 BDADRP C[C@@H](O)[C@H](C)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001576262570 993236554 /nfs/dbraw/zinc/23/65/54/993236554.db2.gz FHKLCEUDHZJYPL-NWDGAFQWSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@H](O)[C@H]1CCCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC001576268737 993241282 /nfs/dbraw/zinc/24/12/82/993241282.db2.gz FPHHUUZGAJFFCB-MROQNXINSA-N 2 0 226.364 1.077 20 0 BDADRP C[C@H](O)[C@@H]1CCCC[N@@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576269013 993245749 /nfs/dbraw/zinc/24/57/49/993245749.db2.gz KHYDPDTTXQDPDV-RVMXOQNASA-N 2 0 226.364 1.349 20 0 BDADRP CC[NH+](CC)C[C@H](O)C[N@H+](C)CC1CC1 ZINC000379792409 993280108 /nfs/dbraw/zinc/28/01/08/993280108.db2.gz JNUTYUXQCKXPHH-GFCCVEGCSA-N 2 0 214.353 1.031 20 0 BDADRP CC1(C)[C@H]([NH2+]CC2(C3(O)CCC3)CC2)C[C@@H]1[NH3+] ZINC001576381631 993292287 /nfs/dbraw/zinc/29/22/87/993292287.db2.gz CDOBWKQJYLJRNC-WDEREUQCSA-N 2 0 238.375 1.397 20 0 BDADRP C[C@]1(CN2CC3(C[NH2+]C3)C2)CCCS1 ZINC001576503475 993324565 /nfs/dbraw/zinc/32/45/65/993324565.db2.gz TZPDHVQOOZEVDC-SNVBAGLBSA-N 2 0 212.362 1.177 20 0 BDADRP CC1(C)C[N@@H+](C[C@]2(C)CC[NH2+]C2)[C@@H]2COC[C@@H]21 ZINC001576503968 993325388 /nfs/dbraw/zinc/32/53/88/993325388.db2.gz YXDZKLAJEAZFNR-OUCADQQQSA-N 2 0 238.375 1.343 20 0 BDADRP C[C@@]1(CN2CC3(C[NH2+]C3)C2)CCCS1 ZINC001576503473 993326035 /nfs/dbraw/zinc/32/60/35/993326035.db2.gz TZPDHVQOOZEVDC-JTQLQIEISA-N 2 0 212.362 1.177 20 0 BDADRP C[C@]1(C[NH2+]C[C@H]2[C@@H]3C[NH2+]C[C@H]23)CCCCO1 ZINC001576519254 993329708 /nfs/dbraw/zinc/32/97/08/993329708.db2.gz LLCFGOPKEGLPBJ-MROQNXINSA-N 2 0 224.348 1.001 20 0 BDADRP C[C@@]1(CO)CCC[N@@H+]1C[C@H]1CCCC[NH2+]C1 ZINC001576525835 993330511 /nfs/dbraw/zinc/33/05/11/993330511.db2.gz ITDNAVDURJHDFI-STQMWFEESA-N 2 0 226.364 1.223 20 0 BDADRP CC[NH+](CC)C[C@H](O)C[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000380395220 993331217 /nfs/dbraw/zinc/33/12/17/993331217.db2.gz JAEYWRIBGVIFEX-RWMBFGLXSA-N 2 0 240.391 1.277 20 0 BDADRP CC12CC(C[N@@H+]3CC[C@H](CC[NH3+])C3)(C1)CO2 ZINC001576552930 993343998 /nfs/dbraw/zinc/34/39/98/993343998.db2.gz HTQOEYJQDMOKMJ-HIFPTAJRSA-N 2 0 224.348 1.226 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](C)[C@H](O)C2)CC[NH2+]1 ZINC001576598588 993363045 /nfs/dbraw/zinc/36/30/45/993363045.db2.gz MTKBFSSVMPKPAS-FDYHWXHSSA-N 2 0 226.364 1.077 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+]CC2)CO1 ZINC001576622620 993373017 /nfs/dbraw/zinc/37/30/17/993373017.db2.gz FUDWTHCBQCOMOS-GRYCIOLGSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C2CC3(CC([NH3+])C3)C2)[C@H](C)O1 ZINC001576622889 993373172 /nfs/dbraw/zinc/37/31/72/993373172.db2.gz HUFHNXVPICYBCB-ZOIYWTSBSA-N 2 0 224.348 1.412 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[NH2+]CC2)[C@@H](C)O1 ZINC001576622897 993373321 /nfs/dbraw/zinc/37/33/21/993373321.db2.gz HVLZRJFJBIMETI-SYQHCUMBSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]2c2cnn(C)c2)CC[NH2+]1 ZINC001576623985 993374395 /nfs/dbraw/zinc/37/43/95/993374395.db2.gz NTTSYJCZQXZYJB-AUZPSNTRSA-N 2 0 248.374 1.254 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)CCO1 ZINC001576625427 993376699 /nfs/dbraw/zinc/37/66/99/993376699.db2.gz YXSOQYNTUHPGEQ-NNYUYHANSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@H]1CC[C@](CO)([N@H+](C)CCCCCC[NH3+])C1 ZINC001576652792 993384783 /nfs/dbraw/zinc/38/47/83/993384783.db2.gz YUKFBHWIVMAPMJ-KBPBESRZSA-N 2 0 242.407 1.988 20 0 BDADRP C[C@H]1CC[C@](CO)([N@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC001576650828 993384803 /nfs/dbraw/zinc/38/48/03/993384803.db2.gz NOKWBISHSBNCDO-CRWXNKLISA-N 2 0 240.391 1.325 20 0 BDADRP COC[C@H](C)[NH2+][C@H]1CC[N@@H+](C(C)C)C[C@H]1C ZINC000381323901 993385173 /nfs/dbraw/zinc/38/51/73/993385173.db2.gz QBRFFFWPUSBYNZ-AGIUHOORSA-N 2 0 228.380 1.730 20 0 BDADRP C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CC[NH2+]C[C@@H]1O ZINC001576689361 993396673 /nfs/dbraw/zinc/39/66/73/993396673.db2.gz APXAKAYADILGEP-NDBYEHHHSA-N 2 0 226.364 1.125 20 0 BDADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NCC(C)(C)[NH3+] ZINC001576705512 993399207 /nfs/dbraw/zinc/39/92/07/993399207.db2.gz TVODZHGBMHJFCQ-NEPJUHHUSA-N 2 0 227.396 1.434 20 0 BDADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NCC(C)(C)[NH3+] ZINC001576705513 993400836 /nfs/dbraw/zinc/40/08/36/993400836.db2.gz TVODZHGBMHJFCQ-NWDGAFQWSA-N 2 0 227.396 1.434 20 0 BDADRP C[C@H](C[NH+]1CCC(C)CC1)NC1CC([NH3+])C1 ZINC001576729787 993410526 /nfs/dbraw/zinc/41/05/26/993410526.db2.gz YRILINVLKGFUIN-PNESKVBLSA-N 2 0 225.380 1.186 20 0 BDADRP C[C@@H]1CCN[C@H](C)[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC001576748666 993411873 /nfs/dbraw/zinc/41/18/73/993411873.db2.gz KTDPFPDNEMRXFX-BZPMIXESSA-N 2 0 239.407 1.304 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC001576755039 993415273 /nfs/dbraw/zinc/41/52/73/993415273.db2.gz WNHGKLVPRGTSIK-CABNGKKXSA-N 2 0 238.375 1.532 20 0 BDADRP C[C@H]1C[N@H+](CCN2CC[NH2+]CC2)CC(C)(C)C1 ZINC001576808005 993432497 /nfs/dbraw/zinc/43/24/97/993432497.db2.gz YFGFRRJINWJLGW-CYBMUJFWSA-N 2 0 239.407 1.260 20 0 BDADRP CC[N@H+](C[C@H](O)CN1CCCC1)C(C)(C)C ZINC000382198173 993441887 /nfs/dbraw/zinc/44/18/87/993441887.db2.gz YTZQXPUPCRTFDH-GFCCVEGCSA-N 2 0 228.380 1.564 20 0 BDADRP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC001576905003 993450653 /nfs/dbraw/zinc/45/06/53/993450653.db2.gz ZTZHXGXYIOJYGS-ZEPSMKPISA-N 2 0 226.364 1.243 20 0 BDADRP CC[C@H](C)[C@@H](C(=O)OC)[NH+]1CCC(C[NH3+])CC1 ZINC001576966781 993472934 /nfs/dbraw/zinc/47/29/34/993472934.db2.gz LIINLVKZYKEKHA-JQWIXIFHSA-N 2 0 242.363 1.245 20 0 BDADRP CC[C@H](C)[C@@H](C[NH2+]C1CC2(C[C@H]2[NH3+])C1)OC ZINC001576970957 993476127 /nfs/dbraw/zinc/47/61/27/993476127.db2.gz MCCVEWXGCZWYFD-FDVIIKHLSA-N 2 0 226.364 1.517 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)[C@H](C)CC[NH+](C)C ZINC001577107052 993508102 /nfs/dbraw/zinc/50/81/02/993508102.db2.gz KPGONFWHHGXZQR-LLVKDONJSA-N 2 0 243.395 1.208 20 0 BDADRP CC[C@H]([NH3+])C[NH2+]C[C@]1(C)CCCCO1 ZINC001577124940 993515029 /nfs/dbraw/zinc/51/50/29/993515029.db2.gz YOBJTTRNUDFBBJ-QWRGUYRKSA-N 2 0 200.326 1.273 20 0 BDADRP COC(=O)[C@@H]1CCC[C@H]([NH2+]CCC[NH+](C)C)C1 ZINC000383956351 993529668 /nfs/dbraw/zinc/52/96/68/993529668.db2.gz HDRUTNCWJHWQTQ-NEPJUHHUSA-N 2 0 242.363 1.260 20 0 BDADRP CC[C@H]([NH2+]C[C@H]([NH3+])CCOC)[C@@H]1CCCOC1 ZINC001577175909 993532054 /nfs/dbraw/zinc/53/20/54/993532054.db2.gz MANOVCKECLFMST-UPJWGTAASA-N 2 0 244.379 1.145 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]([NH3+])CCOC)[C@@H]1CCCCO1 ZINC001577176217 993532635 /nfs/dbraw/zinc/53/26/35/993532635.db2.gz WGFWGMXWRYPSHV-AVGNSLFASA-N 2 0 244.379 1.288 20 0 BDADRP CC[C@H]([NH2+]C1CC2(C[C@@H]2[NH3+])C1)C(C)(C)O ZINC001577175939 993534248 /nfs/dbraw/zinc/53/42/48/993534248.db2.gz NAIIBWUPTWNNAJ-QLWZBITOSA-N 2 0 212.337 1.005 20 0 BDADRP CCC(O)(CC)C(C)(C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC001577179595 993537784 /nfs/dbraw/zinc/53/77/84/993537784.db2.gz TXVSBTVHTBBHIV-LLVKDONJSA-N 2 0 228.380 1.658 20 0 BDADRP CC[C@@]1(O)CCC[N@H+](CC2(C[NH3+])CCC2)C1 ZINC001577233232 993552702 /nfs/dbraw/zinc/55/27/02/993552702.db2.gz GKYFVWOWHPOQKN-CYBMUJFWSA-N 2 0 226.364 1.352 20 0 BDADRP CC[C@@H]1[C@@H](CO)CC[N@@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001577240402 993553988 /nfs/dbraw/zinc/55/39/88/993553988.db2.gz GJAXRDSFZYSUFL-UMSGYPCISA-N 2 0 226.364 1.207 20 0 BDADRP CC[C@H]1C[C@H](C[NH2+]CC2C[NH2+]C2)CCO1 ZINC001577240875 993556507 /nfs/dbraw/zinc/55/65/07/993556507.db2.gz NSWLJSJQPWSIQR-PWSUYJOCSA-N 2 0 212.337 1.001 20 0 BDADRP CC[NH+](CC)C1CCN([C@@H]2CCC[NH2+]C2)CC1 ZINC000384226207 993561556 /nfs/dbraw/zinc/56/15/56/993561556.db2.gz FISMDDMTRLDMHI-CQSZACIVSA-N 2 0 239.407 1.545 20 0 BDADRP CCC[C@]1(C)CCC[N@H+](C[C@@H](O)C[NH2+]C)C1 ZINC001577371656 993629976 /nfs/dbraw/zinc/62/99/76/993629976.db2.gz GCBUIPSIXSGSBR-QWHCGFSZSA-N 2 0 228.380 1.469 20 0 BDADRP CCCC[C@@H]([NH3+])C(=O)N1CC[C@@H]([N@H+](C)CC)C1 ZINC001577401011 993645991 /nfs/dbraw/zinc/64/59/91/993645991.db2.gz UCGXZDSPRSZEHD-VXGBXAGGSA-N 2 0 241.379 1.057 20 0 BDADRP C[N@H+](CCCC[NH3+])C[C@H]1Cc2ccccc2O1 ZINC000385068220 993646760 /nfs/dbraw/zinc/64/67/60/993646760.db2.gz CJUVGNBVCYVOBI-CYBMUJFWSA-N 2 0 234.343 1.661 20 0 BDADRP CCCCN1C[C@H](C)O[C@@]2(CC[NH2+]C2)C1 ZINC001577458044 993668979 /nfs/dbraw/zinc/66/89/79/993668979.db2.gz QBYIERUOFIJBIQ-NWDGAFQWSA-N 2 0 212.337 1.239 20 0 BDADRP CCC[N@@H+](CC(=O)OCC)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001577504508 993675000 /nfs/dbraw/zinc/67/50/00/993675000.db2.gz TXEDFIPURWGDST-NWDGAFQWSA-N 2 0 242.363 1.389 20 0 BDADRP CCCN(CCC[NH+](C)C)C(=O)[C@H](C)[NH2+]CC ZINC001577519778 993676624 /nfs/dbraw/zinc/67/66/24/993676624.db2.gz VVCHSZMJOMZYMD-LBPRGKRZSA-N 2 0 243.395 1.175 20 0 BDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)CCC[NH2+]C ZINC001577510347 993677540 /nfs/dbraw/zinc/67/75/40/993677540.db2.gz LBBIHBQRCXTMPF-GFCCVEGCSA-N 2 0 243.395 1.223 20 0 BDADRP CCCN1CCC[C@H]1C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC001577535773 993679771 /nfs/dbraw/zinc/67/97/71/993679771.db2.gz HMSKBFBYBWFGKO-RDBSUJKOSA-N 2 0 239.407 1.578 20 0 BDADRP CCCN(CC[NH+](CC)CC)C(=O)[C@@H](C)C[NH3+] ZINC001577519859 993680424 /nfs/dbraw/zinc/68/04/24/993680424.db2.gz YGGVYWHTINWCTJ-LBPRGKRZSA-N 2 0 243.395 1.162 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C[C@H](O)CF ZINC000386157794 993681502 /nfs/dbraw/zinc/68/15/02/993681502.db2.gz VNUDDLSVGHQVAD-NWDGAFQWSA-N 2 0 234.359 1.417 20 0 BDADRP CCCn1cncc1C[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC001577624589 993700691 /nfs/dbraw/zinc/70/06/91/993700691.db2.gz BOMRUZHCRZMACO-PHIMTYICSA-N 2 0 222.336 1.120 20 0 BDADRP CC[N@H+](C)[C@H]1CCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC001577655035 993708324 /nfs/dbraw/zinc/70/83/24/993708324.db2.gz PFQWMDIEAPFORY-OLZOCXBDSA-N 2 0 225.380 1.012 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)[C@@H]1CCCOC1 ZINC000389045299 993740139 /nfs/dbraw/zinc/74/01/39/993740139.db2.gz IBBBNCFDRLICSR-YNEHKIRRSA-N 2 0 226.364 1.391 20 0 BDADRP CC[N@@H+]1CC[C@H](N[C@H]2CCC[NH+](C)CC2)C1 ZINC000389556276 993747758 /nfs/dbraw/zinc/74/77/58/993747758.db2.gz RQDSKVAODQWHBR-STQMWFEESA-N 2 0 225.380 1.155 20 0 BDADRP CC1(C)CC[C@H]([NH2+]CCSCC[NH3+])C1 ZINC000389763019 993765692 /nfs/dbraw/zinc/76/56/92/993765692.db2.gz ZSVXQRXSKHUKOU-JTQLQIEISA-N 2 0 216.394 1.847 20 0 BDADRP C[NH+](C)C1CCC([NH2+]C(C)(C)CO)CC1 ZINC000390003759 993770990 /nfs/dbraw/zinc/77/09/90/993770990.db2.gz VLEMQIKDJVYANO-UHFFFAOYSA-N 2 0 214.353 1.220 20 0 BDADRP CCO[C@@H]1CCN([C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000701663800 993902424 /nfs/dbraw/zinc/90/24/24/993902424.db2.gz QRNQMOGMEDSHHA-GRYCIOLGSA-N 2 0 212.337 1.238 20 0 BDADRP Cc1cccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)n1 ZINC000393169717 993909399 /nfs/dbraw/zinc/90/93/99/993909399.db2.gz AHUPKQACKNLGTL-LBPRGKRZSA-N 2 0 219.332 1.703 20 0 BDADRP CC(C)(CO)CCC[NH2+]C1CC[NH2+]CC1 ZINC000393375365 993940511 /nfs/dbraw/zinc/94/05/11/993940511.db2.gz KNUVXHICAQFDBV-UHFFFAOYSA-N 2 0 214.353 1.127 20 0 BDADRP CC(C)C[NH+]1CCC([NH2+][C@H](C)C(C)(C)O)CC1 ZINC000393961431 994023627 /nfs/dbraw/zinc/02/36/27/994023627.db2.gz FWLAGMPCKPIGJN-GFCCVEGCSA-N 2 0 242.407 1.856 20 0 BDADRP C[C@@H](O)[C@@H](C)[NH2+]Cc1ccccc1C[NH+](C)C ZINC001336702814 995083650 /nfs/dbraw/zinc/08/36/50/995083650.db2.gz FTJMDIVMPJGJSB-VXGBXAGGSA-N 2 0 236.359 1.607 20 0 BDADRP CN1CCC[C@H]1C(=O)Nc1ccc2c[nH+]cn2c1 ZINC001304167669 995194439 /nfs/dbraw/zinc/19/44/39/995194439.db2.gz ZABGFIPLWDSXDL-LBPRGKRZSA-N 2 0 244.298 1.367 20 0 BDADRP C[N@H+](CCNCc1ncc[nH]1)C1CCCC1 ZINC000070945374 398142230 /nfs/dbraw/zinc/14/22/30/398142230.db2.gz QHRCZXSSROYQBS-UHFFFAOYSA-N 2 0 222.336 1.374 20 0 BDADRP COc1ccc(CC[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000163173826 187322344 /nfs/dbraw/zinc/32/23/44/187322344.db2.gz UEDQHKLRBLINOO-GXTWGEPZSA-N 2 0 248.370 1.907 20 0 BDADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCCCO)C1 ZINC000336704641 187321303 /nfs/dbraw/zinc/32/13/03/187321303.db2.gz NFZJCABDVDFLKA-CQSZACIVSA-N 2 0 240.391 1.423 20 0 BDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CC1CC[NH2+]CC1 ZINC000337063539 187323504 /nfs/dbraw/zinc/32/35/04/187323504.db2.gz YUDOGGMANMNHRK-CYBMUJFWSA-N 3 0 227.396 1.291 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000415012873 398154475 /nfs/dbraw/zinc/15/44/75/398154475.db2.gz XWRGXYRPMPQELS-OLZOCXBDSA-N 3 0 239.407 1.578 20 0 BDADRP Cc1cc(C[NH2+]CCOCC[NH+](C)C)cs1 ZINC000336662677 178022500 /nfs/dbraw/zinc/02/25/00/178022500.db2.gz OSMLQMCYNRLKGW-UHFFFAOYSA-N 2 0 242.388 1.724 20 0 BDADRP Cc1cccc(C)c1OCC[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422943358 398159760 /nfs/dbraw/zinc/15/97/60/398159760.db2.gz LEXSUEVJDYSOSQ-CYBMUJFWSA-N 2 0 248.370 1.880 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCCN1C ZINC000422906083 398157292 /nfs/dbraw/zinc/15/72/92/398157292.db2.gz UECOTXCTSUZOLA-UPJWGTAASA-N 2 0 225.380 1.058 20 0 BDADRP Cc1sccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000379797948 398168908 /nfs/dbraw/zinc/16/89/08/398168908.db2.gz KZIXEDNRVIMWAZ-TXEJJXNPSA-N 2 0 222.357 1.708 20 0 BDADRP FC1(F)C[C@@]12CC[N@H+](CCn1ccnc1)C2 ZINC000649907507 398180928 /nfs/dbraw/zinc/18/09/28/398180928.db2.gz UAQWNWKNUMJGOJ-SNVBAGLBSA-N 2 0 227.258 1.614 20 0 BDADRP CC[C@@H](C[NH2+]C[C@H]1CNCCO1)c1ccccc1 ZINC000415097961 398161622 /nfs/dbraw/zinc/16/16/22/398161622.db2.gz UQEGMGJMMBAQQI-DZGCQCFKSA-N 2 0 248.370 1.758 20 0 BDADRP C[C@@H]([NH2+][C@H](CO)CC1CCCC1)C1C[NH2+]C1 ZINC000423023512 398163111 /nfs/dbraw/zinc/16/31/11/398163111.db2.gz JUFWMLGWHQZWCL-MFKMUULPSA-N 2 0 226.364 1.125 20 0 BDADRP OC[C@H](CC1CCCC1)[NH2+]C1CC[NH2+]CC1 ZINC000423023528 398163477 /nfs/dbraw/zinc/16/34/77/398163477.db2.gz JWTBHVGYIBFLID-ZDUSSCGKSA-N 2 0 226.364 1.269 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H]2CCCO2)C1 ZINC000379761277 398165036 /nfs/dbraw/zinc/16/50/36/398165036.db2.gz DSOJHEDKXKBNDA-BFHYXJOUSA-N 2 0 240.391 1.874 20 0 BDADRP CCC(CC)C[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000169125955 488170988 /nfs/dbraw/zinc/17/09/88/488170988.db2.gz GNXKKLAWUVXWDC-ZYHUDNBSSA-N 2 0 214.353 1.471 20 0 BDADRP CCC[C@@H](C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)OC ZINC000385994612 398194583 /nfs/dbraw/zinc/19/45/83/398194583.db2.gz FLRNHPDQNYKINU-OCCSQVGLSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1cc(N2CC[C@H](C[NH+](C)C)C2)cc[nH+]1 ZINC000293007983 178119342 /nfs/dbraw/zinc/11/93/42/178119342.db2.gz HZPWMJDDUHLTTG-GFCCVEGCSA-N 2 0 219.332 1.778 20 0 BDADRP Cc1cc(N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc[nH+]1 ZINC000274814450 178119942 /nfs/dbraw/zinc/11/99/42/178119942.db2.gz YSVSNVOVMJPPAQ-OCCSQVGLSA-N 2 0 231.343 1.920 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[NH3+])CC(F)F ZINC000647801210 398207907 /nfs/dbraw/zinc/20/79/07/398207907.db2.gz RAGSGQSBERRWSL-DJLDLDEBSA-N 2 0 206.280 1.747 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000331928370 187327944 /nfs/dbraw/zinc/32/79/44/187327944.db2.gz HIHPMLLRVYVKAJ-FIQHERPVSA-N 2 0 214.353 1.395 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000069724524 398213514 /nfs/dbraw/zinc/21/35/14/398213514.db2.gz FDYCDIQGHIIYFD-RWMBFGLXSA-N 2 0 226.364 1.472 20 0 BDADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCc1cn[nH]c1 ZINC000380969872 398215225 /nfs/dbraw/zinc/21/52/25/398215225.db2.gz FGYNNSCZUZBYHS-LBPRGKRZSA-N 2 0 224.352 1.257 20 0 BDADRP C([NH2+]C[C@@H]1CCC[NH2+]1)[C@H]1CCSC1 ZINC000228554456 192027863 /nfs/dbraw/zinc/02/78/63/192027863.db2.gz HAMZJYNUKJIWNP-ZJUUUORDSA-N 2 0 200.351 1.081 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000164002209 538931504 /nfs/dbraw/zinc/93/15/04/538931504.db2.gz XELHXJGEZRLISO-SGMGOOAPSA-N 2 0 242.407 1.713 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@@]1(CC)CO ZINC000191895048 361776393 /nfs/dbraw/zinc/77/63/93/361776393.db2.gz ZOHRRTDLSRIREZ-AWEZNQCLSA-N 2 0 242.407 1.955 20 0 BDADRP CC[C@H]([NH3+])C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000430764836 398230760 /nfs/dbraw/zinc/23/07/60/398230760.db2.gz UDIVDUDBZVDEGY-SRVKXCTJSA-N 2 0 241.379 1.103 20 0 BDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCCC1(O)CCC1 ZINC000421369287 192334558 /nfs/dbraw/zinc/33/45/58/192334558.db2.gz HAQRNPOPMYOEIV-NEPJUHHUSA-N 2 0 226.364 1.221 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)C1 ZINC000381168023 398231414 /nfs/dbraw/zinc/23/14/14/398231414.db2.gz SUMHOQSWQVGLOW-JHJVBQTASA-N 2 0 228.380 1.731 20 0 BDADRP CC[C@H](COC)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000165619429 538936227 /nfs/dbraw/zinc/93/62/27/538936227.db2.gz KEMPFTCBNPYIFX-CYBMUJFWSA-N 2 0 240.391 1.875 20 0 BDADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CC[C@@H](C)[NH3+] ZINC000092630087 398235618 /nfs/dbraw/zinc/23/56/18/398235618.db2.gz WNOFEWCRYPRBHQ-NEPJUHHUSA-N 2 0 241.379 1.057 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@H](C)CC[C@@H]1C ZINC000380144997 488175388 /nfs/dbraw/zinc/17/53/88/488175388.db2.gz HDYLLEYHSVZEBB-HZSPNIEDSA-N 2 0 242.407 1.808 20 0 BDADRP c1cc(C[NH2+]CCCN2CCC2)ccn1 ZINC000576480490 365607499 /nfs/dbraw/zinc/60/74/99/365607499.db2.gz WYIPGSDGZUUUBN-UHFFFAOYSA-N 2 0 205.305 1.267 20 0 BDADRP CC[C@H](C)[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)OC ZINC000381273171 398249526 /nfs/dbraw/zinc/24/95/26/398249526.db2.gz IJHMPWCEXWXBQZ-RNJOBUHISA-N 2 0 228.380 1.907 20 0 BDADRP CC1(C)OCC[C@@H]1[NH2+][C@@H]1CCN(CC2CC2)C1 ZINC000645406942 398246176 /nfs/dbraw/zinc/24/61/76/398246176.db2.gz HUYYHDMBOIBIJB-OLZOCXBDSA-N 2 0 238.375 1.628 20 0 BDADRP CC(C)[C@H]1C[N@H+](C[C@H]2CC[NH2+]C2)CCS1 ZINC000390756815 398247314 /nfs/dbraw/zinc/24/73/14/398247314.db2.gz IIYBACMEANFYOM-NWDGAFQWSA-N 2 0 228.405 1.669 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H]1CCC1(C)C ZINC000379912572 365640595 /nfs/dbraw/zinc/64/05/95/365640595.db2.gz NTMQMCVTNHJNIH-QWRGUYRKSA-N 2 0 214.353 1.077 20 0 BDADRP [NH3+]C[C@H]1CCCCN1C[C@@H]1CCCCO1 ZINC000036231119 398258311 /nfs/dbraw/zinc/25/83/11/398258311.db2.gz KWTBHKXLHOWIHL-NEPJUHHUSA-N 2 0 212.337 1.369 20 0 BDADRP [NH3+]CCCCC(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000576705975 365665881 /nfs/dbraw/zinc/66/58/81/365665881.db2.gz XKKGMCGMHAQPGU-LBPRGKRZSA-N 2 0 247.342 1.032 20 0 BDADRP Cc1cc(C)n(CC[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)n1 ZINC000386834918 398266281 /nfs/dbraw/zinc/26/62/81/398266281.db2.gz WOUCKRLHLWSFTN-WCQYABFASA-N 2 0 236.363 1.169 20 0 BDADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc2c[nH]nc2c1 ZINC000583329755 342696840 /nfs/dbraw/zinc/69/68/40/342696840.db2.gz ANYQKHIJAVRJHR-GXFFZTMASA-N 2 0 244.342 1.875 20 0 BDADRP CCOC[C@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000166565535 361853788 /nfs/dbraw/zinc/85/37/88/361853788.db2.gz DYGUCPCWRHIMJA-LBPRGKRZSA-N 2 0 216.369 1.731 20 0 BDADRP C[NH2+]CC1CC[NH+](Cc2cncs2)CC1 ZINC000166628560 361853898 /nfs/dbraw/zinc/85/38/98/361853898.db2.gz XOMIYJRQOXWUSH-UHFFFAOYSA-N 2 0 225.361 1.575 20 0 BDADRP CCC(CC)[NH2+]CCN(C)CCCOC ZINC000062036963 168387222 /nfs/dbraw/zinc/38/72/22/168387222.db2.gz ZGVPDEJXCZWAIN-UHFFFAOYSA-N 2 0 216.369 1.733 20 0 BDADRP Cc1ccc(C[NH3+])cc1C1=CC[NH2+]CC1 ZINC000634575411 342779346 /nfs/dbraw/zinc/77/93/46/342779346.db2.gz PDIIIYBCIZGEJW-UHFFFAOYSA-N 2 0 202.301 1.830 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@H](O)CC1CCCC1 ZINC000232130312 342788858 /nfs/dbraw/zinc/78/88/58/342788858.db2.gz KWMOJXFPUMOPNI-TZMCWYRMSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCN(C)C1)C1CC[NH+](C)CC1 ZINC000040672691 538973069 /nfs/dbraw/zinc/97/30/69/538973069.db2.gz WNOARXGTKWIIPU-GXTWGEPZSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCCCO1)C1CC[NH+](C)CC1 ZINC000042814995 538979533 /nfs/dbraw/zinc/97/95/33/538979533.db2.gz PZPBIHXQCJXGHL-GXTWGEPZSA-N 2 0 240.391 1.875 20 0 BDADRP C1=CC[C@H](C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000379803252 538980736 /nfs/dbraw/zinc/98/07/36/538980736.db2.gz MYYLMWZHTVKKJM-YNEHKIRRSA-N 2 0 206.333 1.494 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1NCC1([NH3+])CCCCC1 ZINC000335623801 136240391 /nfs/dbraw/zinc/24/03/91/136240391.db2.gz GBRLQLKFCGWAOV-QWRGUYRKSA-N 2 0 211.353 1.117 20 0 BDADRP COCc1ccc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000382728480 539010461 /nfs/dbraw/zinc/01/04/61/539010461.db2.gz JQAVULHTZBNCQQ-GHMZBOCLSA-N 2 0 236.315 1.077 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1NCC1([NH3+])CCCCC1 ZINC000335626298 136240751 /nfs/dbraw/zinc/24/07/51/136240751.db2.gz VTHRSQKFXJGYLE-VXGBXAGGSA-N 2 0 225.380 1.236 20 0 BDADRP C[C@@H]([NH2+][C@H](C)C(C)(C)O)C1CC[NH+](C)CC1 ZINC000381290746 538997770 /nfs/dbraw/zinc/99/77/70/538997770.db2.gz DAMIJJOMYZAVTN-GHMZBOCLSA-N 2 0 228.380 1.466 20 0 BDADRP CC(C)[NH+]1CCC(N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000335637677 136242834 /nfs/dbraw/zinc/24/28/34/136242834.db2.gz QQWRJSMMRHHCQE-TZMCWYRMSA-N 2 0 239.407 1.447 20 0 BDADRP CC[N@@H+]1CC[C@H](N[C@@H]2C[C@H](C)[NH+](C)C[C@H]2C)C1 ZINC000389206769 398306372 /nfs/dbraw/zinc/30/63/72/398306372.db2.gz ZWWHCZLTSGVBCP-ZOBORPQBSA-N 2 0 239.407 1.399 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC12CCOCC2 ZINC000683525950 488186285 /nfs/dbraw/zinc/18/62/85/488186285.db2.gz NKKDAKGCFBYUSG-CYBMUJFWSA-N 2 0 238.375 1.726 20 0 BDADRP C[C@H]([NH2+]CCCOC(F)F)[C@H]1CCC[NH2+]1 ZINC000400430408 398327098 /nfs/dbraw/zinc/32/70/98/398327098.db2.gz KXGCASCLVCCFLX-DTWKUNHWSA-N 2 0 222.279 1.346 20 0 BDADRP COCC[N@H+](C[C@H](C)[NH3+])C1CCCC1 ZINC000380147130 398333435 /nfs/dbraw/zinc/33/34/35/398333435.db2.gz WYNJASZJYNOCMQ-JTQLQIEISA-N 2 0 200.326 1.225 20 0 BDADRP C[C@H](C(=O)NCCCC[NH3+])[NH+]1CCCCCC1 ZINC000237391489 398333868 /nfs/dbraw/zinc/33/38/68/398333868.db2.gz VYIWYJIDZXCVJW-GFCCVEGCSA-N 2 0 241.379 1.106 20 0 BDADRP C(C1CC1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916576 398335170 /nfs/dbraw/zinc/33/51/70/398335170.db2.gz UEOSLVOQZQCYDK-OLZOCXBDSA-N 2 0 208.349 1.860 20 0 BDADRP C([C@@H]1CCOC1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916059 398335244 /nfs/dbraw/zinc/33/52/44/398335244.db2.gz NZGKLXVHEHVFJR-MJBXVCDLSA-N 2 0 238.375 1.487 20 0 BDADRP COc1ccccc1C[NH2+]CCCC[NH3+] ZINC000037714635 342943424 /nfs/dbraw/zinc/94/34/24/342943424.db2.gz TUNXYEKFEGZZPM-UHFFFAOYSA-N 2 0 208.305 1.524 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353687441 187209507 /nfs/dbraw/zinc/20/95/07/187209507.db2.gz ZYHZSWBNAJXMPT-QSLWVIQJSA-N 2 0 240.391 1.608 20 0 BDADRP COC(=O)[C@H]1C[C@@H]([NH2+][C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000602719990 349712237 /nfs/dbraw/zinc/71/22/37/349712237.db2.gz VPZIVCVTHGFNGK-FIQHERPVSA-N 2 0 240.347 1.010 20 0 BDADRP CN1CCO[C@H](CSC[C@@H]2CC[N@H+](C)C2)C1 ZINC000518183724 259338161 /nfs/dbraw/zinc/33/81/61/259338161.db2.gz LMADOBUQPMJMSO-NEPJUHHUSA-N 2 0 244.404 1.002 20 0 BDADRP CC(C)CC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000361267156 187217749 /nfs/dbraw/zinc/21/77/49/187217749.db2.gz QRMRPINTRHCHFZ-ZIAGYGMSSA-N 2 0 242.407 1.667 20 0 BDADRP C([NH2+][C@H]1CCC[NH2+]CC1)C1CCSCC1 ZINC000229218681 187229184 /nfs/dbraw/zinc/22/91/84/187229184.db2.gz PBGOVFXIQOLJJQ-LBPRGKRZSA-N 2 0 228.405 1.861 20 0 BDADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCCc1ccncc1 ZINC000576834443 365699527 /nfs/dbraw/zinc/69/95/27/365699527.db2.gz LCCSOBDYMVZVSV-JSGCOSHPSA-N 2 0 233.359 1.826 20 0 BDADRP COC[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000398144595 343071557 /nfs/dbraw/zinc/07/15/57/343071557.db2.gz XEUJNFWUOHZVNX-UHTWSYAYSA-N 2 0 226.364 1.519 20 0 BDADRP C(C1CCCCC1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000335308586 187231419 /nfs/dbraw/zinc/23/14/19/187231419.db2.gz LYPZKUHXQLLJFD-OLZOCXBDSA-N 2 0 208.349 1.860 20 0 BDADRP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H](C)C[NH3+])c1 ZINC000336796598 187231181 /nfs/dbraw/zinc/23/11/81/187231181.db2.gz ULKBRRZXDSSPRH-MNOVXSKESA-N 2 0 249.358 1.890 20 0 BDADRP C([NH2+]C1CCN(C2CC2)CC1)[C@H]1CCOC1 ZINC000037141036 187230249 /nfs/dbraw/zinc/23/02/49/187230249.db2.gz QIRMSJFLXWNNEV-LLVKDONJSA-N 2 0 224.348 1.239 20 0 BDADRP CC(C)C[C@@H]([NH3+])c1noc(C2=CC[C@@H]([NH3+])C2)n1 ZINC000634555389 362046490 /nfs/dbraw/zinc/04/64/90/362046490.db2.gz JLVYYRCGCCSTHP-NXEZZACHSA-N 2 0 236.319 1.620 20 0 BDADRP CC(C)[NH2+]CCC[NH2+][C@@H](C)CCCC[NH3+] ZINC000569684667 323036898 /nfs/dbraw/zinc/03/68/98/323036898.db2.gz VXDJTAADKVBRFQ-LBPRGKRZSA-N 3 0 215.385 1.482 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc2c(c1)CCO2 ZINC000131516236 343183830 /nfs/dbraw/zinc/18/38/30/343183830.db2.gz HUFLUVPXIPNYGN-RISCZKNCSA-N 2 0 246.354 1.933 20 0 BDADRP CC1CCN(CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000093215419 343151339 /nfs/dbraw/zinc/15/13/39/343151339.db2.gz QPQRYNBTQJTFQN-ZIAGYGMSSA-N 2 0 239.407 1.578 20 0 BDADRP CCn1ccnc1CN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000126993820 343172249 /nfs/dbraw/zinc/17/22/49/343172249.db2.gz HBDJDOBDCROYOG-WDEREUQCSA-N 2 0 222.336 1.072 20 0 BDADRP C[C@@H]1C[C@H]1C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000167533438 343208906 /nfs/dbraw/zinc/20/89/06/343208906.db2.gz CASHCBDAJKVPGG-MFKMUULPSA-N 2 0 204.317 1.891 20 0 BDADRP C[NH2+]CCC[N@H+](C)CCc1ccccc1 ZINC000066141222 136276066 /nfs/dbraw/zinc/27/60/66/136276066.db2.gz PVTMGPGRCNFBLK-UHFFFAOYSA-N 2 0 206.333 1.770 20 0 BDADRP CC(C)[C@H](O)C[NH+]1CCC([NH+](C)C)CC1 ZINC000087538128 136281857 /nfs/dbraw/zinc/28/18/57/136281857.db2.gz NEEIRKZCFZEFLE-GFCCVEGCSA-N 2 0 214.353 1.029 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)O1 ZINC000634688272 343246564 /nfs/dbraw/zinc/24/65/64/343246564.db2.gz NMJDQOAJACJEDG-MGPQQGTHSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@H]1COCC[C@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000297572835 136291051 /nfs/dbraw/zinc/29/10/51/136291051.db2.gz RIMDPOLHUVULIJ-SMDDNHRTSA-N 2 0 245.326 1.849 20 0 BDADRP Cc1nccn1CCC[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000348757022 136297796 /nfs/dbraw/zinc/29/77/96/136297796.db2.gz SLPZSTJSJRYDPJ-DGCLKSJQSA-N 2 0 236.363 1.251 20 0 BDADRP Cc1nccn1CCC[NH+]1CCC([NH3+])CC1 ZINC000348757004 136297839 /nfs/dbraw/zinc/29/78/39/136297839.db2.gz RVXIVVMHJJSKJK-UHFFFAOYSA-N 2 0 222.336 1.005 20 0 BDADRP Cc1nc(C)c(CN[C@H]2CC[NH2+][C@@H](C)C2)s1 ZINC000335641597 136308516 /nfs/dbraw/zinc/30/85/16/136308516.db2.gz UFVFNBPLLQAMDR-KWQFWETISA-N 2 0 239.388 1.990 20 0 BDADRP Cc1ncsc1CC[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000166217376 136309886 /nfs/dbraw/zinc/30/98/86/136309886.db2.gz PXALRNXZOUZEDC-MWLCHTKSSA-N 2 0 239.388 1.663 20 0 BDADRP Cn1ccnc1[C@@H]1CC[N@H+](CC[C@H]2CCOC2)C1 ZINC000349153447 136327054 /nfs/dbraw/zinc/32/70/54/136327054.db2.gz SGRKJOWXVSUKMH-QWHCGFSZSA-N 2 0 249.358 1.636 20 0 BDADRP CN1CCC([NH2+]C2CCC([NH+](C)C)CC2)CC1 ZINC000335699008 136328430 /nfs/dbraw/zinc/32/84/30/136328430.db2.gz HKSXIJPLIRXXOK-UHFFFAOYSA-N 2 0 239.407 1.543 20 0 BDADRP C[N@H+](C[C@H]1CCCOC1)CC(C)(C)C[NH3+] ZINC000082545354 343447045 /nfs/dbraw/zinc/44/70/45/343447045.db2.gz HCIPTUWNFSNUPE-LLVKDONJSA-N 2 0 214.353 1.330 20 0 BDADRP C[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000353969705 136357052 /nfs/dbraw/zinc/35/70/52/136357052.db2.gz CFCYDHFKFHPFDI-DGAVXFQQSA-N 2 0 240.391 1.589 20 0 BDADRP [NH3+]CCCC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000580549523 365750640 /nfs/dbraw/zinc/75/06/40/365750640.db2.gz QKORWTNFBBDDLH-UHFFFAOYSA-N 2 0 233.315 1.010 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]CCCC[NH3+])C1(C)C ZINC000082922851 343471211 /nfs/dbraw/zinc/47/12/11/343471211.db2.gz MHBHWGBPVJAHAE-GHMZBOCLSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)Cc1ccsc1 ZINC000379621692 343585861 /nfs/dbraw/zinc/58/58/61/343585861.db2.gz GFJWXSHIRCTXHE-ZJUUUORDSA-N 2 0 212.362 1.864 20 0 BDADRP Cc1nccc(N(C)CCC[NH+]2CCCC2)n1 ZINC000281966318 187343210 /nfs/dbraw/zinc/34/32/10/187343210.db2.gz TXZUHWDOAOIRGI-UHFFFAOYSA-N 2 0 234.347 1.707 20 0 BDADRP c1nc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)co1 ZINC000580564291 365781183 /nfs/dbraw/zinc/78/11/83/365781183.db2.gz RCQZYFHBEXVBRO-PHIMTYICSA-N 2 0 221.304 1.106 20 0 BDADRP CC[N@@H+]1CCC[C@H]1CN(C)CCC[NH2+]C ZINC000086188488 343613188 /nfs/dbraw/zinc/61/31/88/343613188.db2.gz SSGMTLAPFKISEP-LBPRGKRZSA-N 2 0 213.369 1.012 20 0 BDADRP COC[C@@H]([NH2+]CCC[NH+](C)C)C(C)C ZINC000087477400 343649895 /nfs/dbraw/zinc/64/98/95/343649895.db2.gz SKUMWDOXUQEMIT-LLVKDONJSA-N 2 0 202.342 1.199 20 0 BDADRP CCOCCN(C)C[C@@H]([NH3+])CC(C)C ZINC000087978003 343682978 /nfs/dbraw/zinc/68/29/78/343682978.db2.gz WPPGRPGACDMAHC-NSHDSACASA-N 2 0 202.342 1.328 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CCN1CCc2nc[nH]c2C1 ZINC000625436935 343734256 /nfs/dbraw/zinc/73/42/56/343734256.db2.gz OETSOIBRDPZMSK-LLVKDONJSA-N 2 0 234.347 1.252 20 0 BDADRP OCC1([NH2+]CC2CC2)CCN(C2CCC2)CC1 ZINC000584116513 343761045 /nfs/dbraw/zinc/76/10/45/343761045.db2.gz BIUXACFJMHNJNK-UHFFFAOYSA-N 2 0 238.375 1.365 20 0 BDADRP c1cncc([C@H]2CCC[N@@H+]2C2CC[NH2+]CC2)c1 ZINC000093224276 343784993 /nfs/dbraw/zinc/78/49/93/343784993.db2.gz KZFZKZBTLDRSOP-CQSZACIVSA-N 2 0 231.343 1.971 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)CCCO1 ZINC000179243085 346977303 /nfs/dbraw/zinc/97/73/03/346977303.db2.gz WSHGXOGVRNIDLX-OLZOCXBDSA-N 2 0 226.364 1.582 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062943128 187273619 /nfs/dbraw/zinc/27/36/19/187273619.db2.gz UQMUUDUJSCUBDY-UONOGXRCSA-N 2 0 239.407 1.530 20 0 BDADRP C[C@@H]([NH2+]C[C@H](C)N(C)C)C1CC[NH+](C)CC1 ZINC000038087979 537834192 /nfs/dbraw/zinc/83/41/92/537834192.db2.gz RRLAOMMJUGFHCA-NWDGAFQWSA-N 2 0 227.396 1.256 20 0 BDADRP Cc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)ccn1 ZINC000621775086 343898229 /nfs/dbraw/zinc/89/82/29/343898229.db2.gz FXCFZMPUZLEJBK-AAEUAGOBSA-N 2 0 219.332 1.559 20 0 BDADRP CC(C)C[C@@H](CO)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000040773279 187354786 /nfs/dbraw/zinc/35/47/86/187354786.db2.gz NTSMCJDKQCRKBY-AWEZNQCLSA-N 2 0 242.407 1.856 20 0 BDADRP CC(C)CSCCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000393787603 343928355 /nfs/dbraw/zinc/92/83/55/343928355.db2.gz WIKATAGIEKTILY-STQMWFEESA-N 2 0 242.432 1.917 20 0 BDADRP COc1ccc(CN2CC[C@H](C[NH3+])C2)cc1F ZINC000050247418 187357237 /nfs/dbraw/zinc/35/72/37/187357237.db2.gz FAFYWFRUBXGWLW-LLVKDONJSA-N 2 0 238.306 1.615 20 0 BDADRP Cn1cncc1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732409 344106608 /nfs/dbraw/zinc/10/66/08/344106608.db2.gz FYBRQNBXOFPXNE-NSHDSACASA-N 2 0 236.363 1.288 20 0 BDADRP CCOC[C@@H](C)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732285 344106760 /nfs/dbraw/zinc/10/67/60/344106760.db2.gz CFCRNJQRPVZLGE-NEPJUHHUSA-N 2 0 228.380 1.779 20 0 BDADRP C[N@H+](CCC[NH+]1CCCCC1)CC1(C)COC1 ZINC000625792323 344076203 /nfs/dbraw/zinc/07/62/03/344076203.db2.gz VKNUAVFEYSOFSG-UHFFFAOYSA-N 2 0 240.391 1.831 20 0 BDADRP COc1ccc(CN2CC[C@H](C[NH3+])C2)cc1O ZINC000050245259 187357916 /nfs/dbraw/zinc/35/79/16/187357916.db2.gz RXIJCIBWNMFHGB-LLVKDONJSA-N 2 0 236.315 1.181 20 0 BDADRP Cc1cnccc1CN1CCC[C@H](C)[C@H]1C[NH3+] ZINC000384907150 344221935 /nfs/dbraw/zinc/22/19/35/344221935.db2.gz ATDHHHPTJKENCS-SMDDNHRTSA-N 2 0 233.359 1.949 20 0 BDADRP CC(C)[NH2+]CCC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000131627378 344315203 /nfs/dbraw/zinc/31/52/03/344315203.db2.gz ITIRYCUTEYXYIQ-RYUDHWBXSA-N 2 0 241.379 1.103 20 0 BDADRP CC[NH2+]Cc1ccccc1NC(=O)[C@@H]([NH3+])CC ZINC000131651450 344319412 /nfs/dbraw/zinc/31/94/12/344319412.db2.gz SXAGBGLHGJYPPC-NSHDSACASA-N 2 0 235.331 1.472 20 0 BDADRP CCC[C@@H](O)C[NH2+]C1CC[NH+](CC)CC1 ZINC000133607555 344320105 /nfs/dbraw/zinc/32/01/05/344320105.db2.gz AZJMEAYALJDTOV-GFCCVEGCSA-N 2 0 214.353 1.221 20 0 BDADRP CC(C)CCOCCN1C[C@H]([NH3+])C[C@H]1C ZINC000385083482 344320838 /nfs/dbraw/zinc/32/08/38/344320838.db2.gz KFPJEOKPPCCYAL-VXGBXAGGSA-N 2 0 214.353 1.471 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](CCCCC(=O)OC)C1 ZINC000600700657 344359544 /nfs/dbraw/zinc/35/95/44/344359544.db2.gz DOCIJYCCAYWIQJ-LBPRGKRZSA-N 2 0 242.363 1.261 20 0 BDADRP COC(=O)CCCC[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000600708212 344361234 /nfs/dbraw/zinc/36/12/34/344361234.db2.gz DOAJRFRZNZYDBU-VXGBXAGGSA-N 2 0 242.363 1.246 20 0 BDADRP Cc1nc(CN2CC[C@H](c3nccn3C)C2)no1 ZINC000533865068 344430904 /nfs/dbraw/zinc/43/09/04/344430904.db2.gz HGUOFGTUVBQZIF-JTQLQIEISA-N 2 0 247.302 1.101 20 0 BDADRP CCSCC[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600750951 344368299 /nfs/dbraw/zinc/36/82/99/344368299.db2.gz YHRSJMUKGATCJZ-TXEJJXNPSA-N 2 0 228.405 1.671 20 0 BDADRP CC[NH+]1CCN([C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000107369464 347050670 /nfs/dbraw/zinc/05/06/70/347050670.db2.gz VTEORMQGTZZPJA-ZDUSSCGKSA-N 2 0 225.380 1.107 20 0 BDADRP CC[N@@H+]1CCC[C@H](CNCc2cocn2)C1 ZINC000309678136 344435438 /nfs/dbraw/zinc/43/54/38/344435438.db2.gz YMLPWGMCRIRXAR-LLVKDONJSA-N 2 0 223.320 1.496 20 0 BDADRP COCCC[NH+]1CCC(CC[NH3+])CC1 ZINC000042427742 344453832 /nfs/dbraw/zinc/45/38/32/344453832.db2.gz NZMYYWJFWADMQS-UHFFFAOYSA-N 2 0 200.326 1.084 20 0 BDADRP C[N@@H+](Cc1cscn1)CC1CC[NH2+]CC1 ZINC000042869405 344469317 /nfs/dbraw/zinc/46/93/17/344469317.db2.gz FKVHEJPXZGSTJV-UHFFFAOYSA-N 2 0 225.361 1.575 20 0 BDADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]([NH3+])C(C)C ZINC000037001262 344485136 /nfs/dbraw/zinc/48/51/36/344485136.db2.gz HEDFQGSHYVOUPK-NEPJUHHUSA-N 2 0 243.395 1.062 20 0 BDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]([NH3+])C(C)C ZINC000037001261 344485197 /nfs/dbraw/zinc/48/51/97/344485197.db2.gz HEDFQGSHYVOUPK-RYUDHWBXSA-N 2 0 243.395 1.062 20 0 BDADRP CN(C)c1nccc(NC[C@H]2CCC[N@H+](C)C2)n1 ZINC000085431541 344532383 /nfs/dbraw/zinc/53/23/83/344532383.db2.gz JQSYVPCBQKQYEM-LLVKDONJSA-N 2 0 249.362 1.296 20 0 BDADRP CC(C)C[C@H]([NH3+])c1noc(C[C@@H]2CCC[NH2+]2)n1 ZINC000577512175 344534261 /nfs/dbraw/zinc/53/42/61/344534261.db2.gz LWCIEKDDSJYBOT-UWVGGRQHSA-N 2 0 238.335 1.410 20 0 BDADRP C[N@H+](CCN1CC[NH2+]CC1)C1CCCCCC1 ZINC000037632045 344555260 /nfs/dbraw/zinc/55/52/60/344555260.db2.gz ORTAQGMLMUHDOO-UHFFFAOYSA-N 2 0 239.407 1.546 20 0 BDADRP COc1ccc(C[NH+]2CCC([C@H](C)[NH3+])CC2)cn1 ZINC000158320391 344592413 /nfs/dbraw/zinc/59/24/13/344592413.db2.gz RSKIEALDYQIGPV-NSHDSACASA-N 2 0 249.358 1.649 20 0 BDADRP CCN1CCC[C@@H]1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000309413392 347057548 /nfs/dbraw/zinc/05/75/48/347057548.db2.gz VVVSMGCRKVMKRW-QWHCGFSZSA-N 2 0 227.396 1.578 20 0 BDADRP Cc1nc(CNC[C@@H]2CCC[NH2+]C2)cs1 ZINC000049539016 344651771 /nfs/dbraw/zinc/65/17/71/344651771.db2.gz HKSCVSXPDZUAHK-SNVBAGLBSA-N 2 0 225.361 1.541 20 0 BDADRP C[C@H]([NH2+]CCCCn1ccnc1)[C@@H]1CCC[NH2+]1 ZINC000400419465 344655739 /nfs/dbraw/zinc/65/57/39/344655739.db2.gz WIFXBCOWYNGJHI-STQMWFEESA-N 2 0 236.363 1.393 20 0 BDADRP Cc1cnc(CC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])nc1 ZINC000578231067 344737230 /nfs/dbraw/zinc/73/72/30/344737230.db2.gz AEDQRHWVDJWZBH-CHWSQXEVSA-N 2 0 248.374 1.435 20 0 BDADRP CC[C@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075834812 344792940 /nfs/dbraw/zinc/79/29/40/344792940.db2.gz PLGBROANGWLKFG-KGLIPLIRSA-N 2 0 240.391 1.565 20 0 BDADRP CC[NH+](CC)CCC[NH2+]C[C@@H](C)COC ZINC000153343897 344852431 /nfs/dbraw/zinc/85/24/31/344852431.db2.gz LIZCINSYYSJKEX-GFCCVEGCSA-N 2 0 216.369 1.590 20 0 BDADRP Cc1c[nH]c(CN(C)CC2CC[NH+](C)CC2)n1 ZINC000628163630 344866415 /nfs/dbraw/zinc/86/64/15/344866415.db2.gz LHGJKZOUFVROEO-UHFFFAOYSA-N 2 0 236.363 1.492 20 0 BDADRP Cc1noc(C)c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310884623 344888815 /nfs/dbraw/zinc/88/88/15/344888815.db2.gz SFELLTXUXVPWJZ-BETUJISGSA-N 2 0 249.358 1.723 20 0 BDADRP CC[C@@H](C(=O)N[C@H](C)C[NH+](CC)CC)[NH+](C)C ZINC000338970428 537873590 /nfs/dbraw/zinc/87/35/90/537873590.db2.gz SWNVKMDIXUOTFC-NEPJUHHUSA-N 2 0 243.395 1.173 20 0 BDADRP CC(C)[NH2+]CCC(=O)N[C@@H](C)CCCC[NH3+] ZINC000583439988 344967221 /nfs/dbraw/zinc/96/72/21/344967221.db2.gz FEWGHILQRVAAIF-NSHDSACASA-N 2 0 229.368 1.008 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)CC1CC[NH2+]CC1 ZINC000162851464 133536216 /nfs/dbraw/zinc/53/62/16/133536216.db2.gz WRARXXYXLRRFDH-GFCCVEGCSA-N 2 0 241.379 1.010 20 0 BDADRP C(N1CC[NH2+]CC12CCCCC2)C12CC(C1)C[NH2+]2 ZINC000634990886 345173162 /nfs/dbraw/zinc/17/31/62/345173162.db2.gz GYFXFPOBYRIKLQ-UHFFFAOYSA-N 2 0 249.402 1.347 20 0 BDADRP CC(C)[C@H](C[NH3+])CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000634991037 345174103 /nfs/dbraw/zinc/17/41/03/345174103.db2.gz NENTZJILQGLLFV-HABKJSAYSA-N 2 0 239.407 1.432 20 0 BDADRP Cc1noc(C)c1C[C@H](C)NCC12CC(C1)C[NH2+]2 ZINC000634995393 345184151 /nfs/dbraw/zinc/18/41/51/345184151.db2.gz CPXXQIZIRDHARU-VOALNZTBSA-N 2 0 249.358 1.564 20 0 BDADRP CC(C)[C@@H](C[NH3+])CN[C@H](CC[NH3+])C(F)(F)F ZINC000634995328 345184447 /nfs/dbraw/zinc/18/44/47/345184447.db2.gz AVLMPAWHLJQZFO-DTWKUNHWSA-N 2 0 241.301 1.087 20 0 BDADRP Cc1cc(N)cc(C[NH2+]C[C@H](C[NH3+])C(C)C)c1 ZINC000634995531 345184938 /nfs/dbraw/zinc/18/49/38/345184938.db2.gz HOICNQFKGPWXSC-ZDUSSCGKSA-N 2 0 235.375 1.898 20 0 BDADRP CC(C)[C@@H](C[NH3+])CN[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000634995884 345186183 /nfs/dbraw/zinc/18/61/83/345186183.db2.gz RTUXTBNTRHENRQ-QWHCGFSZSA-N 2 0 239.407 1.482 20 0 BDADRP CC(C)[C@H](C[NH3+])CNc1ccc(C[NH3+])cc1 ZINC000634996105 345186915 /nfs/dbraw/zinc/18/69/15/345186915.db2.gz ZKLLFLUBUODXBF-GFCCVEGCSA-N 2 0 221.348 1.788 20 0 BDADRP C[C@H](CCCO)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156154667 345132933 /nfs/dbraw/zinc/13/29/33/345132933.db2.gz INLSAKPEGBTRDC-FRRDWIJNSA-N 2 0 226.364 1.364 20 0 BDADRP C([NH+]1C[C@@H]2CCC[C@H]2C1)C12CC(C1)C[NH2+]2 ZINC000634992766 345188043 /nfs/dbraw/zinc/18/80/43/345188043.db2.gz AGXGBLRPLISGCQ-ZFQMDJOTSA-N 2 0 206.333 1.470 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCOCc1ccccc1 ZINC000390231661 259383160 /nfs/dbraw/zinc/38/31/60/259383160.db2.gz HPEZCYLLVQGAEB-HUUCEWRRSA-N 2 0 248.370 1.920 20 0 BDADRP Cc1ccc(CCC[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cn1 ZINC000634998099 345197360 /nfs/dbraw/zinc/19/73/60/345197360.db2.gz APYCSGJCLUQZTL-IUODEOHRSA-N 2 0 247.386 1.849 20 0 BDADRP C([NH2+][C@@H]1CCCC12CC2)C1CC[NH2+]CC1 ZINC000634999677 345199903 /nfs/dbraw/zinc/19/99/03/345199903.db2.gz XSIBNWUGMNXDAK-GFCCVEGCSA-N 2 0 208.349 1.908 20 0 BDADRP COc1ccsc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634999514 345200171 /nfs/dbraw/zinc/20/01/71/345200171.db2.gz VUSOTKALISAHFL-NXEZZACHSA-N 2 0 240.372 1.783 20 0 BDADRP Cc1ccc(CCCN2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000635002189 345203901 /nfs/dbraw/zinc/20/39/01/345203901.db2.gz KYUQAIUOIKQXQN-GASCZTMLSA-N 2 0 245.370 1.759 20 0 BDADRP C[C@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)[C@H]1CCC[NH2+]1 ZINC000635003629 345206395 /nfs/dbraw/zinc/20/63/95/345206395.db2.gz AMFWASZVKJKUDU-YNEHKIRRSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)[C@@H]1CCC[NH2+]1 ZINC000635003628 345206512 /nfs/dbraw/zinc/20/65/12/345206512.db2.gz AMFWASZVKJKUDU-XQQFMLRXSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000635004526 345207773 /nfs/dbraw/zinc/20/77/73/345207773.db2.gz IQOKZTVMCKJFSC-QUARPLMYSA-N 2 0 200.326 1.268 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@H]1CCCC12CC2 ZINC000635004899 345208673 /nfs/dbraw/zinc/20/86/73/345208673.db2.gz RDNBXRZWXCQHGL-RVMXOQNASA-N 2 0 238.375 1.661 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000635005298 345209146 /nfs/dbraw/zinc/20/91/46/345209146.db2.gz UEUTUHJWMOBVIX-TUAOUCFPSA-N 2 0 214.353 1.268 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)[C@H]1CCCC[NH2+]1 ZINC000635005875 345209906 /nfs/dbraw/zinc/20/99/06/345209906.db2.gz PSVDRQRLRNHGAG-XDQVBPFNSA-N 2 0 239.407 1.624 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)[C@H]1CCCC[NH2+]1 ZINC000635005870 345210063 /nfs/dbraw/zinc/21/00/63/345210063.db2.gz PSVDRQRLRNHGAG-AAVRWANBSA-N 2 0 239.407 1.624 20 0 BDADRP CCC[C@@H](CCO)[NH2+][C@@H](C)CCCC[NH3+] ZINC000635005643 345210093 /nfs/dbraw/zinc/21/00/93/345210093.db2.gz VWPXTCMWMYBVHO-RYUDHWBXSA-N 2 0 216.369 1.645 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635009655 345212039 /nfs/dbraw/zinc/21/20/39/345212039.db2.gz YTIJOHNHSBYCLX-FRRDWIJNSA-N 2 0 239.407 1.352 20 0 BDADRP FC(F)(F)[C@@H]1C[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000635011797 345213986 /nfs/dbraw/zinc/21/39/86/345213986.db2.gz HZESNLNILTWMFC-ISUQUUIWSA-N 2 0 248.292 1.915 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCCn2nccc21 ZINC000635012796 345215231 /nfs/dbraw/zinc/21/52/31/345215231.db2.gz PBAKEESSYSVRGL-RYUDHWBXSA-N 2 0 236.363 1.825 20 0 BDADRP COC[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)C1CC1 ZINC000635012717 345215234 /nfs/dbraw/zinc/21/52/34/345215234.db2.gz VKCMSLOWLVBRKI-OLZOCXBDSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000635013337 345217232 /nfs/dbraw/zinc/21/72/32/345217232.db2.gz RCGXRGUPDALABF-RULNZFCNSA-N 2 0 210.243 1.653 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CCCn2nccc21 ZINC000635013431 345218067 /nfs/dbraw/zinc/21/80/67/345218067.db2.gz SQZUTQHEVKIJLT-AXFHLTTASA-N 2 0 222.336 1.433 20 0 BDADRP CC(C)[NH+]1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000675054276 537894134 /nfs/dbraw/zinc/89/41/34/537894134.db2.gz PITNSCGGAJVDAM-AWEZNQCLSA-N 2 0 239.407 1.402 20 0 BDADRP C[N@@H+]1CCCC[C@H]1CCC(=O)NCC(C)(C)[NH3+] ZINC000082241808 345497743 /nfs/dbraw/zinc/49/77/43/345497743.db2.gz MBXASHPPIODBLK-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP CCn1cc(CN(C)C[C@]2(C)CC[NH2+]C2)cn1 ZINC000563136674 323094706 /nfs/dbraw/zinc/09/47/06/323094706.db2.gz GMRLAAOPLNVLMK-CYBMUJFWSA-N 2 0 236.363 1.334 20 0 BDADRP C[C@@H](c1ccncc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000082687086 345679727 /nfs/dbraw/zinc/67/97/27/345679727.db2.gz GQAUYCCWDWZNAR-WCFLWFBJSA-N 2 0 217.316 1.294 20 0 BDADRP Cc1ncsc1CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000082776946 345747588 /nfs/dbraw/zinc/74/75/88/345747588.db2.gz ZUUGBSWRCNUKOP-QWRGUYRKSA-N 2 0 237.372 1.145 20 0 BDADRP COc1ccc(CN[C@H]2CC[NH2+]C2)cc1F ZINC000223145166 345748394 /nfs/dbraw/zinc/74/83/94/345748394.db2.gz BBYYHDWZGPOSTB-JTQLQIEISA-N 2 0 224.279 1.286 20 0 BDADRP Cc1nn(C)cc1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000128259346 187359730 /nfs/dbraw/zinc/35/97/30/187359730.db2.gz PGVGNZWAQOFGLU-ZYHUDNBSSA-N 2 0 236.363 1.288 20 0 BDADRP OC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000159979903 345769030 /nfs/dbraw/zinc/76/90/30/345769030.db2.gz KIQNOLREJAFVAF-NWDGAFQWSA-N 2 0 224.348 1.118 20 0 BDADRP CC[C@H](CCO)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000159984871 345770731 /nfs/dbraw/zinc/77/07/31/345770731.db2.gz UJDVILIIVPKLJE-FRRDWIJNSA-N 2 0 226.364 1.364 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H](OC)C2)C1 ZINC000250346115 537920810 /nfs/dbraw/zinc/92/08/10/537920810.db2.gz QLNCLPXQOMMNJI-HZSPNIEDSA-N 2 0 240.391 1.875 20 0 BDADRP CSCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400941368 345931954 /nfs/dbraw/zinc/93/19/54/345931954.db2.gz SOQLCROKLDEOQN-GARJFASQSA-N 2 0 214.378 1.327 20 0 BDADRP C(CN1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000094460856 187361278 /nfs/dbraw/zinc/36/12/78/187361278.db2.gz RPGQEPPOLHEAMO-UONOGXRCSA-N 2 0 237.391 1.156 20 0 BDADRP C([C@H]1CCOC1)[N@H+](CC1CC[NH2+]CC1)C1CC1 ZINC000094021695 187361357 /nfs/dbraw/zinc/36/13/57/187361357.db2.gz IAEAYJMHYKSXOK-CYBMUJFWSA-N 2 0 238.375 1.487 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+]CCOCC[NH+](C)C)C1 ZINC000234893316 537931339 /nfs/dbraw/zinc/93/13/39/537931339.db2.gz ZKHYSUYSCUDEHC-OLZOCXBDSA-N 2 0 244.379 1.112 20 0 BDADRP COc1ccc(C[N@H+](C)CCC[NH3+])cc1 ZINC000019834752 187362530 /nfs/dbraw/zinc/36/25/30/187362530.db2.gz OZPGUAXXBXMNHZ-UHFFFAOYSA-N 2 0 208.305 1.476 20 0 BDADRP CC[C@H]([NH2+]CCC[NH3+])c1ccc(F)cn1 ZINC000161321447 346168412 /nfs/dbraw/zinc/16/84/12/346168412.db2.gz DDHIZOMKTCVIJZ-JTQLQIEISA-N 2 0 211.284 1.610 20 0 BDADRP CS[C@H](C)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401115613 346212241 /nfs/dbraw/zinc/21/22/41/346212241.db2.gz HYVXSCJSZUKNHX-WRWGMCAJSA-N 2 0 228.405 1.716 20 0 BDADRP CSCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000309084463 349947334 /nfs/dbraw/zinc/94/73/34/349947334.db2.gz VKPDNIXMMFDQBW-IJLUTSLNSA-N 2 0 228.405 1.812 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]CCCCO)CC1 ZINC000193277800 187366794 /nfs/dbraw/zinc/36/67/94/187366794.db2.gz RNUDSXTXZQCOSI-UHFFFAOYSA-N 2 0 214.353 1.221 20 0 BDADRP CC[NH+](CC)CC[C@H](CO)[NH2+]CC1(C)CC1 ZINC000641771017 362708944 /nfs/dbraw/zinc/70/89/44/362708944.db2.gz BKLUKFZAZHXHFU-GFCCVEGCSA-N 2 0 228.380 1.469 20 0 BDADRP Cc1cccc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)c1 ZINC000313396568 179074964 /nfs/dbraw/zinc/07/49/64/179074964.db2.gz QDKZWZKLDPLVQZ-AWEZNQCLSA-N 2 0 234.343 1.545 20 0 BDADRP COc1cc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)on1 ZINC000641795939 362736818 /nfs/dbraw/zinc/73/68/18/362736818.db2.gz BPLUVRQTIZNTPH-SECBINFHSA-N 2 0 239.319 1.242 20 0 BDADRP CC[C@@H]1C[N@H+](CCc2cncn2C)CC[C@H]1[NH3+] ZINC000641797614 362744301 /nfs/dbraw/zinc/74/43/01/362744301.db2.gz DLHCSSIWFIUFHZ-DGCLKSJQSA-N 2 0 236.363 1.022 20 0 BDADRP C[C@@H]1CCC(C)(C)[N@@H+]1CCN1CC[NH2+]CC1 ZINC000641800232 362750274 /nfs/dbraw/zinc/75/02/74/362750274.db2.gz AAUISFHFVQCAQN-GFCCVEGCSA-N 2 0 225.380 1.155 20 0 BDADRP Cc1ccc(CC[NH2+][C@H](C)C[C@@H](C)[NH3+])o1 ZINC000580708732 346504969 /nfs/dbraw/zinc/50/49/69/346504969.db2.gz QGQGJEGRVHWKBG-NXEZZACHSA-N 2 0 210.321 1.846 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)C1CCCC1 ZINC000641801320 362755045 /nfs/dbraw/zinc/75/50/45/362755045.db2.gz PUQORTUUBMSLCU-FRRDWIJNSA-N 2 0 240.391 1.907 20 0 BDADRP CCCCNC(=O)CC[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641803009 362759562 /nfs/dbraw/zinc/75/95/62/362759562.db2.gz QWOFEEKPLVOOHY-MNOVXSKESA-N 2 0 241.379 1.008 20 0 BDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1cccc(N)c1 ZINC000641802782 362759989 /nfs/dbraw/zinc/75/99/89/362759989.db2.gz OUGRQEDZDLZSBN-RYUDHWBXSA-N 2 0 219.332 1.484 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCCCCF ZINC000641802439 362760140 /nfs/dbraw/zinc/76/01/40/362760140.db2.gz KWJXUWOVOIVOCF-ZJUUUORDSA-N 2 0 202.317 1.842 20 0 BDADRP CC1(C)[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)C[C@@H]1[NH3+] ZINC000641807766 362765792 /nfs/dbraw/zinc/76/57/92/362765792.db2.gz RWLZKZLYSGIZLE-NWDGAFQWSA-N 2 0 247.342 1.001 20 0 BDADRP Cc1cccc(N2CCC[N@@H+](C)CC2)n1 ZINC000156911581 179121883 /nfs/dbraw/zinc/12/18/83/179121883.db2.gz PVJLTIBDQXMQEO-UHFFFAOYSA-N 2 0 205.305 1.532 20 0 BDADRP C[C@@H]1SCC[N@H+](CC2CC[NH2+]CC2)[C@H]1C ZINC000158589676 346606547 /nfs/dbraw/zinc/60/65/47/346606547.db2.gz KLYSPFIISZCWLJ-QWRGUYRKSA-N 2 0 228.405 1.812 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000580646090 365841631 /nfs/dbraw/zinc/84/16/31/365841631.db2.gz DBBNJHJGGJACNY-QKEWWQLBSA-N 3 0 213.369 1.219 20 0 BDADRP COC[C@H](C)C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000187865682 346635642 /nfs/dbraw/zinc/63/56/42/346635642.db2.gz RDRKDGINXGQPTI-ZIAGYGMSSA-N 2 0 242.407 1.979 20 0 BDADRP CC[N@@H+]1CC[C@H](NCC(C)(C)[NH+](C)C)[C@@H](C)C1 ZINC000345237797 365836691 /nfs/dbraw/zinc/83/66/91/365836691.db2.gz QQFMOCPIFYZJDS-STQMWFEESA-N 2 0 241.423 1.647 20 0 BDADRP Cc1cccc(NC[C@H]2CCC[NH2+]C2)[nH+]1 ZINC000044503035 179148593 /nfs/dbraw/zinc/14/85/93/179148593.db2.gz BLADVXJWFHMCLE-NSHDSACASA-N 2 0 205.305 1.802 20 0 BDADRP CC[C@@H]1CCCCC[N@@H+]1C[C@@H](O)CN(C)CC ZINC000380087974 365870036 /nfs/dbraw/zinc/87/00/36/365870036.db2.gz UETPJJKNFDXQNF-KGLIPLIRSA-N 2 0 242.407 1.954 20 0 BDADRP Cc1ccncc1CN1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622004686 370655296 /nfs/dbraw/zinc/65/52/96/370655296.db2.gz SKUBKMSNGRGGIB-KBPBESRZSA-N 2 0 231.343 1.703 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](C)[C@H](CO)C2)CC[NH2+]1 ZINC000622004395 370655901 /nfs/dbraw/zinc/65/59/01/370655901.db2.gz OBCVKMZFSRDONT-DGAVXFQQSA-N 2 0 240.391 1.325 20 0 BDADRP CC(C)n1ccc(CN2CC[C@H]([C@H](C)[NH3+])C2)n1 ZINC000252773622 347431045 /nfs/dbraw/zinc/43/10/45/347431045.db2.gz MSYIVNLWUPKLTR-RYUDHWBXSA-N 2 0 236.363 1.633 20 0 BDADRP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000577214580 365884701 /nfs/dbraw/zinc/88/47/01/365884701.db2.gz MWKWSTSLWVTUFI-RFGFWPKPSA-N 2 0 240.391 1.922 20 0 BDADRP CC[C@H](C)C[NH2+]CC1([NH3+])CCOCC1 ZINC000149801523 347521686 /nfs/dbraw/zinc/52/16/86/347521686.db2.gz DTCUKAVZXKLFHS-JTQLQIEISA-N 2 0 200.326 1.130 20 0 BDADRP c1cnn(CCCCC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000591373867 347649858 /nfs/dbraw/zinc/64/98/58/347649858.db2.gz HBHUNXIJXFGNDX-OKILXGFUSA-N 2 0 248.374 1.205 20 0 BDADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCCCCF ZINC000308458244 347669665 /nfs/dbraw/zinc/66/96/65/347669665.db2.gz FMBDFVUGSULKIB-QWRGUYRKSA-N 2 0 202.317 1.938 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[N@H+](C)C[C@@H]1CCCOC1 ZINC000082545724 347800663 /nfs/dbraw/zinc/80/06/63/347800663.db2.gz OZTUSJLDRGSXEU-QWHCGFSZSA-N 2 0 228.380 1.718 20 0 BDADRP C[NH2+]CCC[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000577377326 365929573 /nfs/dbraw/zinc/92/95/73/365929573.db2.gz HHOIZTYVNZRPTR-UHFFFAOYSA-N 3 0 241.423 1.648 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000577395161 365944484 /nfs/dbraw/zinc/94/44/84/365944484.db2.gz KIGGNTJHYSSIAM-YNEHKIRRSA-N 2 0 225.380 1.045 20 0 BDADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CC1CCOCC1 ZINC000082594521 348003763 /nfs/dbraw/zinc/00/37/63/348003763.db2.gz GXAVJCHAUOUYQP-CYBMUJFWSA-N 2 0 226.364 1.616 20 0 BDADRP CS[C@H]1CC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594614193 348082874 /nfs/dbraw/zinc/08/28/74/348082874.db2.gz JHLWBUUJDYVIMJ-USZNOCQGSA-N 2 0 228.405 1.810 20 0 BDADRP CS[C@@H]1CC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594614195 348083105 /nfs/dbraw/zinc/08/31/05/348083105.db2.gz JHLWBUUJDYVIMJ-WRWGMCAJSA-N 2 0 228.405 1.810 20 0 BDADRP Cc1cccnc1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000161771211 179374737 /nfs/dbraw/zinc/37/47/37/179374737.db2.gz FQJFFGJVACAOKI-OLZOCXBDSA-N 2 0 233.359 1.949 20 0 BDADRP Cc1cccnc1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000228158654 179376321 /nfs/dbraw/zinc/37/63/21/179376321.db2.gz YLUCQRRMZFQBLQ-NWDGAFQWSA-N 2 0 219.332 1.559 20 0 BDADRP C[C@H]1C[N@H+](Cc2cccs2)CC[C@H]1[NH3+] ZINC000251733419 362903086 /nfs/dbraw/zinc/90/30/86/362903086.db2.gz KKIYSSXHIBHNQU-GXSJLCMTSA-N 2 0 210.346 1.917 20 0 BDADRP CCOC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623496853 362921098 /nfs/dbraw/zinc/92/10/98/362921098.db2.gz NJQVJLCYKATMGS-NWDGAFQWSA-N 2 0 228.380 1.874 20 0 BDADRP CCOCCCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000388379699 349998433 /nfs/dbraw/zinc/99/84/33/349998433.db2.gz KKXHUTYZBHQHRC-NEPJUHHUSA-N 2 0 214.353 1.663 20 0 BDADRP OC[C@H](CC(F)F)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000429452850 192146905 /nfs/dbraw/zinc/14/69/05/192146905.db2.gz QTQAVYJNYOXJHV-OUAUKWLOSA-N 2 0 248.317 1.219 20 0 BDADRP CCSC1(C[NH2+][C@H](C)C2C[NH2+]C2)CC1 ZINC000596651349 348606241 /nfs/dbraw/zinc/60/62/41/348606241.db2.gz NFELBIUKJLXCSM-SECBINFHSA-N 2 0 214.378 1.470 20 0 BDADRP CSCC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000596653048 348606865 /nfs/dbraw/zinc/60/68/65/348606865.db2.gz YZXRTFQVUOTSBZ-IJLUTSLNSA-N 2 0 244.404 1.096 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCOC2)[C@H](C)C1 ZINC000246840815 349108072 /nfs/dbraw/zinc/10/80/72/349108072.db2.gz CDYZPULUGKVAIJ-MCIONIFRSA-N 2 0 240.391 1.733 20 0 BDADRP C[NH2+]C[C@@H]1CCCN([C@H](C)c2cnccn2)C1 ZINC000251288149 349185323 /nfs/dbraw/zinc/18/53/23/349185323.db2.gz ULLZKNBCWIZGTO-NEPJUHHUSA-N 2 0 234.347 1.469 20 0 BDADRP COC[C@H](C)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000253119074 349224264 /nfs/dbraw/zinc/22/42/64/349224264.db2.gz LCXXFTUKXPZAJV-MROQNXINSA-N 2 0 226.364 1.328 20 0 BDADRP CC(C)[C@](C)(O)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000309016417 349304969 /nfs/dbraw/zinc/30/49/69/349304969.db2.gz ZRWJCDYEQPNFGU-GRYCIOLGSA-N 2 0 214.353 1.253 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623524717 362945902 /nfs/dbraw/zinc/94/59/02/362945902.db2.gz GHLHKUMZUUDDLJ-STQMWFEESA-N 2 0 242.407 1.713 20 0 BDADRP COc1ccc(CC[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000234951818 191000633 /nfs/dbraw/zinc/00/06/33/191000633.db2.gz YMJMMKNKJJOSLC-HNNXBMFYSA-N 2 0 248.370 1.908 20 0 BDADRP CCOC[C@@H](C)[NH2+]CCC[NH+](CC)CC ZINC000131451024 191015047 /nfs/dbraw/zinc/01/50/47/191015047.db2.gz YSFQSBUDUPPFFP-GFCCVEGCSA-N 2 0 216.369 1.733 20 0 BDADRP C[C@@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)C[NH+](C)C ZINC000623530251 362950015 /nfs/dbraw/zinc/95/00/15/362950015.db2.gz RIYNLJQEFPPHPT-STQMWFEESA-N 2 0 241.423 1.647 20 0 BDADRP C[C@H](C[NH2+]Cc1cccc2n[nH]cc21)C[NH+](C)C ZINC000623530369 362949517 /nfs/dbraw/zinc/94/95/17/362949517.db2.gz VZBQQGHEBNOPBC-LLVKDONJSA-N 2 0 246.358 1.850 20 0 BDADRP C[C@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)C[NH+](C)C ZINC000623530249 362949836 /nfs/dbraw/zinc/94/98/36/362949836.db2.gz RIYNLJQEFPPHPT-OLZOCXBDSA-N 2 0 241.423 1.647 20 0 BDADRP C[NH2+]CC1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000083527369 350234897 /nfs/dbraw/zinc/23/48/97/350234897.db2.gz IAPKLFZBFMTEAI-ZDUSSCGKSA-N 2 0 226.364 1.487 20 0 BDADRP Cc1nccn1CCCC[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000373512121 180236929 /nfs/dbraw/zinc/23/69/29/180236929.db2.gz HGYKKDRHILLOBL-ZDUSSCGKSA-N 2 0 249.358 1.428 20 0 BDADRP CC[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C(C)(C)O ZINC000623534058 362952652 /nfs/dbraw/zinc/95/26/52/362952652.db2.gz VRMCXOWWFYSXEE-VXGBXAGGSA-N 2 0 242.407 1.998 20 0 BDADRP CC[C@@H]1C[C@@H](C)C[N@@H+]1C[C@H](O)CN(C)CC ZINC000309305993 350274289 /nfs/dbraw/zinc/27/42/89/350274289.db2.gz ZRFAOMHQWGBULA-JHJVBQTASA-N 2 0 228.380 1.419 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CC[C@@H](C)O)[C@@H](C)C1 ZINC000223584024 350279633 /nfs/dbraw/zinc/27/96/33/350279633.db2.gz QZPAFLRMJJOENJ-QJPTWQEYSA-N 2 0 214.353 1.077 20 0 BDADRP CCC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)CC)C1CCC1 ZINC000325109077 350313723 /nfs/dbraw/zinc/31/37/23/350313723.db2.gz YWDTZKXAJAQAPG-UONOGXRCSA-N 2 0 242.407 1.857 20 0 BDADRP [NH3+][C@H]1CCN(Cc2cc3ccccc3o2)C1 ZINC000050227755 350315163 /nfs/dbraw/zinc/31/51/63/350315163.db2.gz FVHIBBUFFPWYEA-NSHDSACASA-N 2 0 216.284 1.966 20 0 BDADRP CC(C)(C)[C@@H](CO)[NH2+]CCC[NH+]1CCCC1 ZINC000309352577 350351010 /nfs/dbraw/zinc/35/10/10/350351010.db2.gz NFLSHIJBGZXNHO-GFCCVEGCSA-N 2 0 228.380 1.469 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](C[C@@H]2CCCC[C@@H]2O)C1 ZINC000328174740 350380676 /nfs/dbraw/zinc/38/06/76/350380676.db2.gz KYHARASYVSUEKO-AVGNSLFASA-N 2 0 226.364 1.208 20 0 BDADRP Cc1ncsc1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000228149256 180318448 /nfs/dbraw/zinc/31/84/48/180318448.db2.gz KSSYCOBDPXIZHD-WCBMZHEXSA-N 2 0 225.361 1.621 20 0 BDADRP Cc1ncsc1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000070838222 180321112 /nfs/dbraw/zinc/32/11/12/180321112.db2.gz BOJOTLGPGIKWPQ-LLVKDONJSA-N 2 0 239.388 1.931 20 0 BDADRP Cc1nn(C)c(C)c1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000093216528 180342344 /nfs/dbraw/zinc/34/23/44/180342344.db2.gz MLZOHOGGXYBRTJ-NEPJUHHUSA-N 2 0 236.363 1.396 20 0 BDADRP Cc1cc(NC[C@@H]2C[N@@H+](C)CCN2C)cc[nH+]1 ZINC000162777401 350425456 /nfs/dbraw/zinc/42/54/56/350425456.db2.gz NYYYQJIIZXGXPH-CYBMUJFWSA-N 2 0 234.347 1.048 20 0 BDADRP Cc1cc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc[nH+]1 ZINC000162799402 350431422 /nfs/dbraw/zinc/43/14/22/350431422.db2.gz MIOCBLFRQGXEHJ-KGLIPLIRSA-N 2 0 247.342 1.665 20 0 BDADRP CC(C)C[C@@H]([NH3+])c1noc(C[C@H]2CCC[NH2+]2)n1 ZINC000577512173 365975415 /nfs/dbraw/zinc/97/54/15/365975415.db2.gz LWCIEKDDSJYBOT-NXEZZACHSA-N 2 0 238.335 1.410 20 0 BDADRP CCC[N@H+](CC)CCN[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000156776080 191116414 /nfs/dbraw/zinc/11/64/14/191116414.db2.gz QCHXHZYLZIVIHD-KGLIPLIRSA-N 2 0 241.423 1.791 20 0 BDADRP CO[C@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422793534 192472534 /nfs/dbraw/zinc/47/25/34/192472534.db2.gz SHZZSMKNWQBLIN-YJBUHQLJSA-N 2 0 238.375 1.817 20 0 BDADRP CCC[NH+]1CCC(NCC(C)(C)[NH+](C)C)CC1 ZINC000020125696 363024591 /nfs/dbraw/zinc/02/45/91/363024591.db2.gz PGCVNSRFUMNECQ-UHFFFAOYSA-N 2 0 241.423 1.791 20 0 BDADRP c1cc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)sn1 ZINC000404494227 351482468 /nfs/dbraw/zinc/48/24/68/351482468.db2.gz ZTVXNDXMVXQEPJ-MNOVXSKESA-N 2 0 237.372 1.860 20 0 BDADRP C[C@H]1C[C@@H](C[N@H+](C)Cc2cnc[nH]2)CC[NH2+]1 ZINC000577650098 366032644 /nfs/dbraw/zinc/03/26/44/366032644.db2.gz CVXQLJAODDJINR-QWRGUYRKSA-N 2 0 222.336 1.230 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)NC1CCC([NH3+])CC1 ZINC000637818782 351659126 /nfs/dbraw/zinc/65/91/26/351659126.db2.gz FPAOWIUGJVJHPZ-MCIGGMRASA-N 2 0 241.379 1.136 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@H](C[NH3+])CC(C)C ZINC000637844417 351699846 /nfs/dbraw/zinc/69/98/46/351699846.db2.gz NNNBNVWUSGLLMT-RYUDHWBXSA-N 2 0 243.395 1.240 20 0 BDADRP CC(C)CC[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])CC(C)C ZINC000637844416 351700179 /nfs/dbraw/zinc/70/01/79/351700179.db2.gz NNNBNVWUSGLLMT-NWDGAFQWSA-N 2 0 243.395 1.240 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C2=CC[C@H]([NH3+])C2)cc1 ZINC000637856966 351716935 /nfs/dbraw/zinc/71/69/35/351716935.db2.gz QZNBQHMMVMDLMQ-SKDRFNHKSA-N 2 0 245.326 1.692 20 0 BDADRP CC[NH2+][C@@H](C)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000637857448 351718197 /nfs/dbraw/zinc/71/81/97/351718197.db2.gz WKYYMYVQTNWMIB-UWVGGRQHSA-N 2 0 235.331 1.643 20 0 BDADRP [NH3+]CCC1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000083527346 351736738 /nfs/dbraw/zinc/73/67/38/351736738.db2.gz MREXWIJMTKFHQE-ZDUSSCGKSA-N 2 0 226.364 1.616 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000577839677 366078893 /nfs/dbraw/zinc/07/88/93/366078893.db2.gz GPZASPUGJLPZPT-QWHCGFSZSA-N 3 0 225.380 1.236 20 0 BDADRP COCCC[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000178029832 366079376 /nfs/dbraw/zinc/07/93/76/366079376.db2.gz YEAVDVBCGMSAAH-QWHCGFSZSA-N 2 0 228.380 1.733 20 0 BDADRP C[N@@H+](Cc1ccc(=O)[nH]c1)C[C@H]1CCC[NH+](C)C1 ZINC000637930458 351807010 /nfs/dbraw/zinc/80/70/10/351807010.db2.gz NWYBSIXNSNNPSF-ZDUSSCGKSA-N 2 0 249.358 1.561 20 0 BDADRP CCC[C@H](C[N@@H+]1CC[C@@H](C[NH+](C)C)C1)OC ZINC000638075738 351948181 /nfs/dbraw/zinc/94/81/81/351948181.db2.gz HFOMRNCZARZAGS-QWHCGFSZSA-N 2 0 228.380 1.685 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)C2=CC[C@@H]([NH3+])C2)cc1 ZINC000638173807 352038044 /nfs/dbraw/zinc/03/80/44/352038044.db2.gz KTGHZHVIZZMFSG-LLVKDONJSA-N 2 0 231.299 1.131 20 0 BDADRP CO[C@@H](C[NH2+]CCC[NH+]1CCCCC1)C1CC1 ZINC000638309569 352136983 /nfs/dbraw/zinc/13/69/83/352136983.db2.gz RSFWKSPCQQUFGJ-AWEZNQCLSA-N 2 0 240.391 1.877 20 0 BDADRP CC[C@H](C(=O)N1CCCC[C@@H]1CC[NH3+])[NH+](C)C ZINC000638233764 352085816 /nfs/dbraw/zinc/08/58/16/352085816.db2.gz KEXWXMKWXVPVMS-VXGBXAGGSA-N 2 0 241.379 1.057 20 0 BDADRP C[C@H](CCC[NH3+])NC(=O)C[N@H+](C)CC(C)(C)C ZINC000638252574 352095921 /nfs/dbraw/zinc/09/59/21/352095921.db2.gz UGPVWJFCGFILIT-LLVKDONJSA-N 2 0 243.395 1.208 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)C2=CC[C@H]([NH3+])C2)cc1 ZINC000638254881 352098092 /nfs/dbraw/zinc/09/80/92/352098092.db2.gz HOWSBOBSTPYPGT-LBPRGKRZSA-N 2 0 245.326 1.392 20 0 BDADRP CC(C)CC[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000638270613 352108472 /nfs/dbraw/zinc/10/84/72/352108472.db2.gz JMGNMFFQVFZPME-MNOVXSKESA-N 2 0 241.379 1.007 20 0 BDADRP CC(C)CC[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000638333152 352151804 /nfs/dbraw/zinc/15/18/04/352151804.db2.gz OTMRPIFNXJIMGD-GHMZBOCLSA-N 2 0 243.395 1.240 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+]CCC[C@@H]1CCO1 ZINC000638337984 352158019 /nfs/dbraw/zinc/15/80/19/352158019.db2.gz OJTUZCSFQANPOE-CYBMUJFWSA-N 2 0 228.380 1.875 20 0 BDADRP CC[NH2+][C@H](C)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000638366787 352177989 /nfs/dbraw/zinc/17/79/89/352177989.db2.gz RLVXWXLVZUDTAO-SNVBAGLBSA-N 2 0 235.331 1.390 20 0 BDADRP C(C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)C[C@@H]1CCO1 ZINC000638368428 352179249 /nfs/dbraw/zinc/17/92/49/352179249.db2.gz LDVUADXCULDTMF-MGPQQGTHSA-N 2 0 238.375 1.772 20 0 BDADRP CC(C)CC[C@@H]([NH3+])C(=O)NCCC[NH2+]C1CC1 ZINC000638374906 352187327 /nfs/dbraw/zinc/18/73/27/352187327.db2.gz RFPSEPUZBHRYJH-GFCCVEGCSA-N 2 0 241.379 1.008 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000638396225 352203739 /nfs/dbraw/zinc/20/37/39/352203739.db2.gz JEJDSWWIDASWKN-UTUOFQBUSA-N 2 0 241.379 1.088 20 0 BDADRP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CC2(C)C)CC1 ZINC000638408497 352213977 /nfs/dbraw/zinc/21/39/77/352213977.db2.gz ZBOKGKCTOCEZPA-LBPRGKRZSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)[C@H]1CC1(F)F ZINC000638412605 352222698 /nfs/dbraw/zinc/22/26/98/352222698.db2.gz QFOONTCYBSQGME-GARJFASQSA-N 2 0 248.317 1.076 20 0 BDADRP Cc1cnc(C[NH2+]CCCC[NH+](C)C)o1 ZINC000638450183 352261177 /nfs/dbraw/zinc/26/11/77/352261177.db2.gz ARCBSDUAFBEXIR-UHFFFAOYSA-N 2 0 211.309 1.414 20 0 BDADRP C1C[NH2+][C@H]([C@@H]2CCC[C@@H]2N[C@H]2CCC[NH2+]C2)C1 ZINC000414914968 352262995 /nfs/dbraw/zinc/26/29/95/352262995.db2.gz YTDYZJWSLIKSCR-XUXIUFHCSA-N 2 0 237.391 1.249 20 0 BDADRP CCCC[C@H](COC)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000414918318 352273788 /nfs/dbraw/zinc/27/37/88/352273788.db2.gz RZXKRAVUBFHETK-CHWSQXEVSA-N 2 0 228.380 1.923 20 0 BDADRP CCC(CC)C[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000414947086 352370598 /nfs/dbraw/zinc/37/05/98/352370598.db2.gz UKZZWRGKGVGHMP-CYBMUJFWSA-N 2 0 228.380 1.781 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)N[C@H]1CC[NH2+]C[C@H]1C ZINC000414949091 352370732 /nfs/dbraw/zinc/37/07/32/352370732.db2.gz ZOJVTBVCZJKYNS-NDBYEHHHSA-N 2 0 225.380 1.105 20 0 BDADRP CC[C@H](C)C[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000414952027 352372185 /nfs/dbraw/zinc/37/21/85/352372185.db2.gz HSGZPBXBPTTZTN-NWDGAFQWSA-N 2 0 214.353 1.391 20 0 BDADRP CCSCC[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000405468463 352381909 /nfs/dbraw/zinc/38/19/09/352381909.db2.gz KJGBJRLTEOWGKZ-DTWKUNHWSA-N 2 0 202.367 1.455 20 0 BDADRP CCN(CC[NH3+])C(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000638523003 352357363 /nfs/dbraw/zinc/35/73/63/352357363.db2.gz YURKGXAVOJXXGV-DGCLKSJQSA-N 2 0 249.358 1.130 20 0 BDADRP C[N@H+](CCC[NH+]1CCCC1)CCC1(O)CCC1 ZINC000411662998 191203770 /nfs/dbraw/zinc/20/37/70/191203770.db2.gz CIDYYPMMPPLODP-UHFFFAOYSA-N 2 0 240.391 1.709 20 0 BDADRP Cc1ccc(CCC[NH2+][C@H](C)[C@@H](C)[NH3+])cn1 ZINC000415008534 352512241 /nfs/dbraw/zinc/51/22/41/352512241.db2.gz FDOGGLJNAGTBII-VXGBXAGGSA-N 2 0 221.348 1.648 20 0 BDADRP C[C@@H]1C[C@H](O)C[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000412037020 191248641 /nfs/dbraw/zinc/24/86/41/191248641.db2.gz MQWZCUKOGFWYLI-KGLIPLIRSA-N 2 0 240.391 1.565 20 0 BDADRP CC[C@H](O)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000334235822 352853896 /nfs/dbraw/zinc/85/38/96/352853896.db2.gz HLTFWDJYVSKACO-LBPRGKRZSA-N 2 0 226.364 1.318 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CCC([NH+](C)C)CC1 ZINC000036192449 187906563 /nfs/dbraw/zinc/90/65/63/187906563.db2.gz SXFMZLOKNPEMMT-LBPRGKRZSA-N 2 0 227.396 1.386 20 0 BDADRP COCCCCC[NH+]1CCC([NH3+])CC1 ZINC000140105237 353112154 /nfs/dbraw/zinc/11/21/54/353112154.db2.gz HZDKJMKTGXFCDD-UHFFFAOYSA-N 2 0 200.326 1.226 20 0 BDADRP CC[C@](C)(C[N@@H+]1CC[C@@H]2CCN(C)C[C@H]21)OC ZINC000638918766 353082966 /nfs/dbraw/zinc/08/29/66/353082966.db2.gz TWFGPDYOHGTXES-BFHYXJOUSA-N 2 0 240.391 1.828 20 0 BDADRP CC(C)[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000336715663 188012736 /nfs/dbraw/zinc/01/27/36/188012736.db2.gz SSJYVZJSKLBXBR-KBPBESRZSA-N 2 0 240.391 1.421 20 0 BDADRP C[NH+](C)CCOCC[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000338009423 188015888 /nfs/dbraw/zinc/01/58/88/188015888.db2.gz RLYIDMNLVJYPSP-KGLIPLIRSA-N 2 0 240.391 1.733 20 0 BDADRP C1C[N@@H+]2CCCC[C@H]2[C@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000129014277 188049098 /nfs/dbraw/zinc/04/90/98/188049098.db2.gz LQWIXPSFASFBFS-RDBSUJKOSA-N 2 0 237.391 1.345 20 0 BDADRP CC(C)(CCO)C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000331879337 188053454 /nfs/dbraw/zinc/05/34/54/188053454.db2.gz CBEYHOYZOIQPGJ-NWDGAFQWSA-N 2 0 228.380 1.645 20 0 BDADRP CC(C)C[C@@H](C[NH3+])N[C@@H]1CCC[NH2+]CC1 ZINC000332054022 188053542 /nfs/dbraw/zinc/05/35/42/188053542.db2.gz WTGGYPUWXRBXPD-NEPJUHHUSA-N 2 0 213.369 1.092 20 0 BDADRP CCC1([NH+](C)C)CCN(C(=O)C[C@H](C)[NH3+])CC1 ZINC000638974625 353180076 /nfs/dbraw/zinc/18/00/76/353180076.db2.gz BCIWPEHYTIKVKM-NSHDSACASA-N 2 0 241.379 1.057 20 0 BDADRP CCC(CC)(CCO)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422816385 192478925 /nfs/dbraw/zinc/47/89/25/192478925.db2.gz ZVHXIZLRKCJXPE-CHWSQXEVSA-N 2 0 242.407 1.905 20 0 BDADRP CC(C)[N@H+](C)CC(=O)NC1(C[NH3+])CCCCC1 ZINC000638997953 353240339 /nfs/dbraw/zinc/24/03/39/353240339.db2.gz ZXZNVTODZZKEDK-UHFFFAOYSA-N 2 0 241.379 1.104 20 0 BDADRP CCC(CC)(C[NH3+])C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639030543 353292432 /nfs/dbraw/zinc/29/24/32/353292432.db2.gz HQIRIWUHZPRQDV-XYPYZODXSA-N 2 0 241.379 1.138 20 0 BDADRP C[C@H]1C[N@H+](CCOc2ccccc2)CC[C@H]1[NH3+] ZINC000251866427 353292445 /nfs/dbraw/zinc/29/24/45/353292445.db2.gz SYFLEGHKHAFYIJ-GXTWGEPZSA-N 2 0 234.343 1.735 20 0 BDADRP C[C@H]1C[N@@H+]2CCC[C@H]2CN1CC1CC[NH2+]CC1 ZINC000251925366 353293408 /nfs/dbraw/zinc/29/34/08/353293408.db2.gz YHTJBSHFGLLJNU-JSGCOSHPSA-N 2 0 237.391 1.155 20 0 BDADRP CCN1CCC[C@@H]1C[N@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000252572123 353299744 /nfs/dbraw/zinc/29/97/44/353299744.db2.gz CHRHIBKRUGNAOR-ZIAGYGMSSA-N 2 0 239.407 1.402 20 0 BDADRP Cc1cc(N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc[nH+]1 ZINC000252941569 353313177 /nfs/dbraw/zinc/31/31/77/353313177.db2.gz JHOJNSXZOCUSJG-UBHSHLNASA-N 2 0 231.343 1.954 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCS[C@@H](C)[C@@H]1C ZINC000132472840 353381608 /nfs/dbraw/zinc/38/16/08/353381608.db2.gz KEBADUWQWXQQKJ-UWVGGRQHSA-N 2 0 202.367 1.422 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1ccccc1 ZINC000405461628 353497015 /nfs/dbraw/zinc/49/70/15/353497015.db2.gz IUROQWWGKUNSIR-VXGBXAGGSA-N 2 0 204.317 1.902 20 0 BDADRP COCCC[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000227737453 363248334 /nfs/dbraw/zinc/24/83/34/363248334.db2.gz MLURDAFAXZQZDX-LLVKDONJSA-N 2 0 202.342 1.328 20 0 BDADRP c1ccc2c(c1)CC([NH2+]C[C@H]1CCC[NH2+]C1)C2 ZINC000232453439 353722854 /nfs/dbraw/zinc/72/28/54/353722854.db2.gz NLLDTAGKGRNRBX-LBPRGKRZSA-N 2 0 230.355 1.743 20 0 BDADRP C[C@@H](NC(=O)CC[C@@H]([NH3+])c1ccccc1)[C@H](C)[NH3+] ZINC000563874989 353725484 /nfs/dbraw/zinc/72/54/84/353725484.db2.gz BWBWVKUICZYJFQ-DMDPSCGWSA-N 2 0 249.358 1.319 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)C[NH+](C)C ZINC000308957430 353726895 /nfs/dbraw/zinc/72/68/95/353726895.db2.gz ZQEFCAFWKBNHEK-YVECIDJPSA-N 2 0 210.365 1.962 20 0 BDADRP CCC[N@@H+]1CC[C@H](CN[C@H]2C[NH+](C)C[C@@H]2C)C1 ZINC000343686575 353963785 /nfs/dbraw/zinc/96/37/85/353963785.db2.gz BOERNKORFQIGAR-MJBXVCDLSA-N 2 0 239.407 1.258 20 0 BDADRP C[N@H+](CC1CC[NH2+]CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000334546609 353984505 /nfs/dbraw/zinc/98/45/05/353984505.db2.gz LHNQYPCQGYAMAT-PBWFPOADSA-N 3 0 237.391 1.201 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@@H]1C[NH+](CC)C[C@H]1C ZINC000344068295 354131646 /nfs/dbraw/zinc/13/16/46/354131646.db2.gz VGXPXKODCKVSGM-HZSPNIEDSA-N 2 0 241.423 1.647 20 0 BDADRP CCC(CC)[C@@H](O)C[NH2+]C1CC[NH2+]CC1 ZINC000230497843 363312515 /nfs/dbraw/zinc/31/25/15/363312515.db2.gz IMGKUXCEEGBIQU-LBPRGKRZSA-N 2 0 214.353 1.125 20 0 BDADRP Cn1cc(CCCN2CC[NH+]3CCC2CC3)cn1 ZINC000639172909 354170956 /nfs/dbraw/zinc/17/09/56/354170956.db2.gz WSTNRGGIFXFHKV-UHFFFAOYSA-N 2 0 248.374 1.133 20 0 BDADRP C[C@@H]1C[C@H](CO)CC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000344137927 354151399 /nfs/dbraw/zinc/15/13/99/354151399.db2.gz KADOROJGTGXWLV-MCIONIFRSA-N 2 0 240.391 1.564 20 0 BDADRP C[C@@H]1CN(C)C[C@H]1[NH2+]CCC1CC[NH+](C)CC1 ZINC000344189413 354178873 /nfs/dbraw/zinc/17/88/73/354178873.db2.gz NCFMJVONSIRTNE-TZMCWYRMSA-N 2 0 239.407 1.258 20 0 BDADRP C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1cccc(N(C)C)c1 ZINC000344275164 354197075 /nfs/dbraw/zinc/19/70/75/354197075.db2.gz CONGEBJRZPXQQL-IUODEOHRSA-N 2 0 247.386 1.792 20 0 BDADRP CCSCC[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231670239 363347947 /nfs/dbraw/zinc/34/79/47/363347947.db2.gz MWAAMUJMZHWTOP-LLVKDONJSA-N 2 0 216.394 1.813 20 0 BDADRP CC[C@H](O)CC[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000123394494 324362818 /nfs/dbraw/zinc/36/28/18/324362818.db2.gz FODIPNPJHKUMQB-RWMBFGLXSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)C1CCOCC1 ZINC000344287317 354204605 /nfs/dbraw/zinc/20/46/05/354204605.db2.gz ILZALZGLTFEHKB-LBPRGKRZSA-N 2 0 238.375 1.653 20 0 BDADRP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000344331022 354227146 /nfs/dbraw/zinc/22/71/46/354227146.db2.gz ONQSEEWSNXMLDQ-SWLSCSKDSA-N 2 0 249.402 1.321 20 0 BDADRP C[C@@H](O)CC[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000334624977 354364352 /nfs/dbraw/zinc/36/43/52/354364352.db2.gz SEEGXRPWHTWIFS-CHWSQXEVSA-N 2 0 226.364 1.175 20 0 BDADRP C/C=C\C[C@H](CO)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000349376660 366182898 /nfs/dbraw/zinc/18/28/98/366182898.db2.gz GSUYBGPBSXGVHX-ZRUQZJFASA-N 2 0 240.391 1.776 20 0 BDADRP CC[C@@H]1C[C@@H](C[NH+]2CCC([NH3+])CC2)CCO1 ZINC000334688986 354477573 /nfs/dbraw/zinc/47/75/73/354477573.db2.gz OEQXEXVNPYHGAV-WCQYABFASA-N 2 0 226.364 1.615 20 0 BDADRP Cc1n[nH]cc1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000334649522 354441106 /nfs/dbraw/zinc/44/11/06/354441106.db2.gz HDSDSYODFGXFFG-MWLCHTKSSA-N 2 0 222.336 1.277 20 0 BDADRP CN(C)c1ncc(C[N@@H+]2CC[C@H]3CCC[C@H]32)n1C ZINC000335109820 354695607 /nfs/dbraw/zinc/69/56/07/354695607.db2.gz JBJGJIBJTRHNEE-DGCLKSJQSA-N 2 0 248.374 1.861 20 0 BDADRP CCOCCC[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000233723664 363406217 /nfs/dbraw/zinc/40/62/17/363406217.db2.gz GWGRDNUMKHKWKR-LLVKDONJSA-N 2 0 200.326 1.084 20 0 BDADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000335145943 354856756 /nfs/dbraw/zinc/85/67/56/354856756.db2.gz KTOMOXBEHYYKRI-MLCFOIATSA-N 3 0 237.391 1.329 20 0 BDADRP CSC1(C[NH2+]CCC[NH+](C)C)CC1 ZINC000235108905 363437508 /nfs/dbraw/zinc/43/75/08/363437508.db2.gz TXAQCJGLVFEWLH-UHFFFAOYSA-N 2 0 202.367 1.423 20 0 BDADRP COCCCC[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000234706176 363428003 /nfs/dbraw/zinc/42/80/03/363428003.db2.gz GZKRPEKVACQBNZ-LLVKDONJSA-N 2 0 200.326 1.084 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)CC1CC1 ZINC000234738035 363429297 /nfs/dbraw/zinc/42/92/97/363429297.db2.gz NQRUUVQDCKSJFN-CMPLNLGQSA-N 2 0 214.353 1.519 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CC1(C)CCC1 ZINC000234779413 363429833 /nfs/dbraw/zinc/42/98/33/363429833.db2.gz KXPKENYFACKDJP-NSHDSACASA-N 2 0 214.353 1.520 20 0 BDADRP C[C@@H]([NH2+][C@H]1CSC1(C)C)C1C[NH2+]C1 ZINC000335167193 354926687 /nfs/dbraw/zinc/92/66/87/354926687.db2.gz DPMMXGJLAZHTGZ-APPZFPTMSA-N 2 0 200.351 1.078 20 0 BDADRP CC1(C)SC[C@@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000335170496 354933907 /nfs/dbraw/zinc/93/39/07/354933907.db2.gz QYYDIMSQERQTHB-ILDUYXDCSA-N 2 0 228.405 1.988 20 0 BDADRP C[C@@H]([NH3+])c1ccc(N[C@H]2CCC[NH2+]C2)cc1 ZINC000335177381 354946464 /nfs/dbraw/zinc/94/64/64/354946464.db2.gz JSDUYSJXMSDJOL-MFKMUULPSA-N 2 0 219.332 1.870 20 0 BDADRP C[C@H](CCC1CC1)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000346516239 354973017 /nfs/dbraw/zinc/97/30/17/354973017.db2.gz CLFXTRORSCFPLA-GFCCVEGCSA-N 2 0 240.391 1.611 20 0 BDADRP CC[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H]2C[NH2+]C)CCO1 ZINC000346678602 355009714 /nfs/dbraw/zinc/00/97/14/355009714.db2.gz MEEKTWBJDDQKBM-MELADBBJSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc3c2OCO3)C1 ZINC000346633554 355014675 /nfs/dbraw/zinc/01/46/75/355014675.db2.gz FMJFVAYXTNKPBS-WDEREUQCSA-N 2 0 248.326 1.584 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CCN(Cc2ccn(C(F)F)n2)C1 ZINC000346691823 355075204 /nfs/dbraw/zinc/07/52/04/355075204.db2.gz WPQYLLNFDYUTTR-RKDXNWHRSA-N 2 0 244.289 1.447 20 0 BDADRP C[C@@H]1C[C@@H](C[NH+]2CCC(CO)CC2)CC[NH2+]1 ZINC000335247174 355162560 /nfs/dbraw/zinc/16/25/60/355162560.db2.gz FNVOXLKNXWQIMP-YPMHNXCESA-N 2 0 226.364 1.079 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@H]2CCOC2)[C@H](C)C1 ZINC000346881661 355143760 /nfs/dbraw/zinc/14/37/60/355143760.db2.gz OGTXWCAGLCZEGA-RDBSUJKOSA-N 2 0 240.391 1.733 20 0 BDADRP C[N@H+](CCc1nccs1)C[C@@H]1CCC[NH2+]C1 ZINC000346993107 355191761 /nfs/dbraw/zinc/19/17/61/355191761.db2.gz UNEIAIJJKCDEMO-LLVKDONJSA-N 2 0 239.388 1.617 20 0 BDADRP C[C@@H]1CCN(CC[NH2+][C@H]2CSC[C@@H]2C)C1 ZINC000380239315 358495223 /nfs/dbraw/zinc/49/52/23/358495223.db2.gz NAHYHWLQMDHJJQ-WOPDTQHZSA-N 2 0 228.405 1.669 20 0 BDADRP CC[C@@H](C[N@H+](C)C[C@H]1CCC[NH+](C)C1)OC ZINC000412979337 191348269 /nfs/dbraw/zinc/34/82/69/191348269.db2.gz TYBJFWRAPFJTKG-STQMWFEESA-N 2 0 228.380 1.685 20 0 BDADRP CO[C@H](C[NH2+]CCCC[N@H+](C)C1CC1)C1CC1 ZINC000639245296 355257605 /nfs/dbraw/zinc/25/76/05/355257605.db2.gz VQYROGUOHIXWEA-CQSZACIVSA-N 2 0 240.391 1.875 20 0 BDADRP CO[C@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000191205398 355347351 /nfs/dbraw/zinc/34/73/51/355347351.db2.gz SPEJUXBDBMSOIX-DDHJBXDOSA-N 2 0 214.353 1.340 20 0 BDADRP CC[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccn(C)n1 ZINC000349784486 355462401 /nfs/dbraw/zinc/46/24/01/355462401.db2.gz PVGRMZZPBDVEMS-CYBMUJFWSA-N 2 0 248.374 1.723 20 0 BDADRP CCC[NH+]1CCC(N[C@@H](C[NH3+])CC(C)C)CC1 ZINC000414832037 191592375 /nfs/dbraw/zinc/59/23/75/191592375.db2.gz DAHRDQVTASLFFX-CQSZACIVSA-N 2 0 241.423 1.824 20 0 BDADRP CCOC[C@@H](C)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414834705 191594006 /nfs/dbraw/zinc/59/40/06/191594006.db2.gz QSMCMMUTPAQJQK-MNOVXSKESA-N 2 0 200.326 1.001 20 0 BDADRP CC[C@@H](COC)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414843633 191597932 /nfs/dbraw/zinc/59/79/32/191597932.db2.gz QLPMCZBYPFVLMS-RYUDHWBXSA-N 2 0 214.353 1.391 20 0 BDADRP CC[C@@H]1C[N@@H+]([C@@H](C)CCOC)CC[C@H]1[NH3+] ZINC000251793302 491080484 /nfs/dbraw/zinc/08/04/84/491080484.db2.gz NRTYXJHIPUHBGY-QJPTWQEYSA-N 2 0 214.353 1.471 20 0 BDADRP C[N@H+](CCCCO)CC[C@H]1CCC[NH+]1C ZINC000349922296 355528975 /nfs/dbraw/zinc/52/89/75/355528975.db2.gz QOUWRGKHPRHZGL-GFCCVEGCSA-N 2 0 214.353 1.175 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415059976 191664949 /nfs/dbraw/zinc/66/49/49/191664949.db2.gz SWCJGCHFIMAAAB-JHJVBQTASA-N 2 0 227.396 1.277 20 0 BDADRP C[NH+](C)CC1CC[NH+](Cc2cncs2)CC1 ZINC000350144180 355614530 /nfs/dbraw/zinc/61/45/30/355614530.db2.gz CASFXZZBOCVBSD-UHFFFAOYSA-N 2 0 239.388 1.917 20 0 BDADRP c1cn2c(n1)C[C@@H]([NH2+]Cc1ccccn1)CC2 ZINC000335877075 355647769 /nfs/dbraw/zinc/64/77/69/355647769.db2.gz SROVFEBDGIHPGP-NSHDSACASA-N 2 0 228.299 1.383 20 0 BDADRP CCC[C@H](C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)OC ZINC000639308098 355662953 /nfs/dbraw/zinc/66/29/53/355662953.db2.gz AIHHVSHTODVNGS-FRRDWIJNSA-N 2 0 228.380 1.731 20 0 BDADRP CCC[N@@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000350181312 355621444 /nfs/dbraw/zinc/62/14/44/355621444.db2.gz NMYOMFGJSJVOJY-ZDUSSCGKSA-N 2 0 228.380 1.829 20 0 BDADRP Cc1ccc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)nc1 ZINC000335863712 355627845 /nfs/dbraw/zinc/62/78/45/355627845.db2.gz JHVCBBAKWIKVCN-BETUJISGSA-N 2 0 231.343 1.383 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000417350656 191791665 /nfs/dbraw/zinc/79/16/65/191791665.db2.gz AULVDFGOAFLERG-KVSVUVNWSA-N 2 0 226.364 1.218 20 0 BDADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H](C)[NH+](C)C ZINC000350898353 355870382 /nfs/dbraw/zinc/87/03/82/355870382.db2.gz VIRMPLGXFSZXHZ-NEPJUHHUSA-N 2 0 243.395 1.219 20 0 BDADRP CC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@H](C)O ZINC000582221753 355964842 /nfs/dbraw/zinc/96/48/42/355964842.db2.gz DZXHXNKNZFBGRT-SMDDNHRTSA-N 2 0 240.391 1.610 20 0 BDADRP CC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H](C)O ZINC000582221750 355965393 /nfs/dbraw/zinc/96/53/93/355965393.db2.gz DZXHXNKNZFBGRT-BXUZGUMPSA-N 2 0 240.391 1.610 20 0 BDADRP CC[NH+](CC)CCCN(C)CC(C)(C)C[NH3+] ZINC000420291875 192203736 /nfs/dbraw/zinc/20/37/36/192203736.db2.gz OGBZSAFHHMFGBR-UHFFFAOYSA-N 2 0 229.412 1.635 20 0 BDADRP C[C@H]1C[N@H+](CCCc2ccncc2)CC[C@H]1[NH3+] ZINC000420297282 192204456 /nfs/dbraw/zinc/20/44/56/192204456.db2.gz YLIKLFWDRXQHQC-GXTWGEPZSA-N 2 0 233.359 1.683 20 0 BDADRP C(C[N@H+](C[C@H]1CCOC1)C1CC1)[C@H]1CC[NH2+]C1 ZINC000420299069 192204819 /nfs/dbraw/zinc/20/48/19/192204819.db2.gz GFHBKJWRODWHCY-CHWSQXEVSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)[C@H]1CN ZINC000420296598 192204934 /nfs/dbraw/zinc/20/49/34/192204934.db2.gz XFZZBKVIPZHARS-AGIUHOORSA-N 2 0 225.380 1.045 20 0 BDADRP CCC[C@@H]1CCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000420296038 192206001 /nfs/dbraw/zinc/20/60/01/192206001.db2.gz CWLJCULNZVIVQN-CQSZACIVSA-N 2 0 239.407 1.404 20 0 BDADRP C[C@@H]1CNC[C@H](C)[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420299964 192206557 /nfs/dbraw/zinc/20/65/57/192206557.db2.gz BZKXBRYBSJHIQN-FRRDWIJNSA-N 2 0 225.380 1.058 20 0 BDADRP COC(=O)CCC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000420302354 192206846 /nfs/dbraw/zinc/20/68/46/192206846.db2.gz FTKAXVJTYJIXES-UHFFFAOYSA-N 2 0 240.347 1.015 20 0 BDADRP CCOCC[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420320354 192195502 /nfs/dbraw/zinc/19/55/02/192195502.db2.gz BJHGMRXZQQZMKX-STQMWFEESA-N 2 0 226.364 1.344 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC000420273942 192197273 /nfs/dbraw/zinc/19/72/73/192197273.db2.gz NZNLRDGYJRINIU-KGLIPLIRSA-N 2 0 240.391 1.877 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000420289383 192201392 /nfs/dbraw/zinc/20/13/92/192201392.db2.gz KHDBFZVVMQEOIE-QWHCGFSZSA-N 2 0 227.396 1.387 20 0 BDADRP C[C@@H](CCC1CC1)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000346532333 134090752 /nfs/dbraw/zinc/09/07/52/134090752.db2.gz MTYDNWIRXXJRPN-JSGCOSHPSA-N 2 0 240.391 1.611 20 0 BDADRP CC(C)OC(=O)CC[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000420287309 192202175 /nfs/dbraw/zinc/20/21/75/192202175.db2.gz HUMSJJVGDIBTEE-NWDGAFQWSA-N 2 0 242.363 1.387 20 0 BDADRP CC[NH+](CC)CCCN1CC[NH2+][C@H](C)[C@@H]1C ZINC000420317029 192213303 /nfs/dbraw/zinc/21/33/03/192213303.db2.gz UHOVKFDTNMFIAS-OLZOCXBDSA-N 2 0 227.396 1.401 20 0 BDADRP c1cnn([C@H]2CCC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)c1 ZINC000420315765 192213488 /nfs/dbraw/zinc/21/34/88/192213488.db2.gz LLADMKJTPKRDFY-KGLIPLIRSA-N 2 0 248.374 1.520 20 0 BDADRP C[C@@H]1NCC[N@H+](CC[C@H]2CCC[NH2+]C2)[C@H]1C ZINC000420315858 192213493 /nfs/dbraw/zinc/21/34/93/192213493.db2.gz SBIOGFCUXHULIB-RWMBFGLXSA-N 2 0 225.380 1.058 20 0 BDADRP CC[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000420318310 192215013 /nfs/dbraw/zinc/21/50/13/192215013.db2.gz OKHRZPUJTQEGBO-YNEHKIRRSA-N 2 0 226.364 1.485 20 0 BDADRP CCOCCC[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420336757 192215051 /nfs/dbraw/zinc/21/50/51/192215051.db2.gz WGMZQMARHNKJHI-KBPBESRZSA-N 2 0 240.391 1.735 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCO[C@@H]2C)C1 ZINC000639510520 356343356 /nfs/dbraw/zinc/34/33/56/356343356.db2.gz BBRGJSVHTBKSRB-RDBSUJKOSA-N 2 0 240.391 1.685 20 0 BDADRP CCc1ccccc1C[N@H+](C)C[C@H](O)C[NH3+] ZINC000420349048 192218161 /nfs/dbraw/zinc/21/81/61/192218161.db2.gz BODKMDYXRDCBCE-CYBMUJFWSA-N 2 0 222.332 1.000 20 0 BDADRP CC(C)C[C@@H]1COCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420305238 192208710 /nfs/dbraw/zinc/20/87/10/192208710.db2.gz PEPSHRYMUBDABT-ZIAGYGMSSA-N 2 0 240.391 1.733 20 0 BDADRP C[NH2+]CCC1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420305022 192209047 /nfs/dbraw/zinc/20/90/47/192209047.db2.gz JOSDZFXBGUPHAY-AWEZNQCLSA-N 3 0 239.407 1.308 20 0 BDADRP CC[N@H+](CCCC(=O)OC)[C@H]1CCC[NH2+]CC1 ZINC000420309375 192210100 /nfs/dbraw/zinc/21/01/00/192210100.db2.gz LFUXORPPIZPVIH-LBPRGKRZSA-N 2 0 242.363 1.404 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000420312246 192210267 /nfs/dbraw/zinc/21/02/67/192210267.db2.gz SAMJPXJGOSSMCK-UONOGXRCSA-N 2 0 239.407 1.532 20 0 BDADRP CC[N@H+](CCCOC)[C@H]1CCC[NH2+]CC1 ZINC000420311084 192210503 /nfs/dbraw/zinc/21/05/03/192210503.db2.gz MYYUVJHOHMABBI-LBPRGKRZSA-N 2 0 214.353 1.487 20 0 BDADRP CCOC[C@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420312807 192211219 /nfs/dbraw/zinc/21/12/19/192211219.db2.gz XITUOUAFCMQOMR-KBPBESRZSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000420312247 192211413 /nfs/dbraw/zinc/21/14/13/192211413.db2.gz SAMJPXJGOSSMCK-ZIAGYGMSSA-N 2 0 239.407 1.532 20 0 BDADRP C[N@H+](CC[C@H]1CC[NH2+]C1)[C@H]1CCN(C2CC2)C1 ZINC000420317195 192212025 /nfs/dbraw/zinc/21/20/25/192212025.db2.gz MQIBHKWUPDXOKB-OCCSQVGLSA-N 2 0 237.391 1.155 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]CC1 ZINC000420313270 192212098 /nfs/dbraw/zinc/21/20/98/192212098.db2.gz PNBQXAYJQWHUSY-UONOGXRCSA-N 3 0 239.407 1.450 20 0 BDADRP COC[C@@H]1CCCC[N@H+](C[C@H](C)N)C1 ZINC000420368305 192225958 /nfs/dbraw/zinc/22/59/58/192225958.db2.gz HZRANFRFSVIBJV-WDEREUQCSA-N 2 0 200.326 1.082 20 0 BDADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)C1(CN)CCC1 ZINC000420327229 192229429 /nfs/dbraw/zinc/22/94/29/192229429.db2.gz LCNHKZRWLFKNCJ-GFCCVEGCSA-N 2 0 225.380 1.189 20 0 BDADRP CC(C)[C@](C)(CN)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000420327866 192230119 /nfs/dbraw/zinc/23/01/19/192230119.db2.gz ZADZANVRWHTWLV-STQMWFEESA-N 2 0 227.396 1.339 20 0 BDADRP C[NH2+]CCCN[C@H](C[NH3+])C1CCCCC1 ZINC000420354719 192219214 /nfs/dbraw/zinc/21/92/14/192219214.db2.gz BJNADBVLQHDLKH-GFCCVEGCSA-N 2 0 213.369 1.093 20 0 BDADRP C(C[N@@H+]1CCOC[C@H]1C1CC1)C1CC[NH2+]CC1 ZINC000420358889 192220394 /nfs/dbraw/zinc/22/03/94/192220394.db2.gz JTDRMCCHORUCKM-AWEZNQCLSA-N 2 0 238.375 1.487 20 0 BDADRP C[N@H+](C[C@@H](O)C[NH3+])[C@@H]1CCc2ccc(F)cc21 ZINC000420361028 192221971 /nfs/dbraw/zinc/22/19/71/192221971.db2.gz XQDAWKPOXCWWBQ-WCQYABFASA-N 2 0 238.306 1.064 20 0 BDADRP C[C@@H]1CCN[C@@H](C)[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000420365354 192223378 /nfs/dbraw/zinc/22/33/78/192223378.db2.gz LAUGORMZBJQBEE-MBNYWOFBSA-N 2 0 239.407 1.352 20 0 BDADRP CC(C)[C@@H]([NH2+]CCOCC[NH3+])c1ccccc1 ZINC000420363653 192224048 /nfs/dbraw/zinc/22/40/48/192224048.db2.gz BRXDCWLYVABWRK-CQSZACIVSA-N 2 0 236.359 1.949 20 0 BDADRP CC[NH+](CC)CCCN(C)CCC[NH2+]C ZINC000420382653 192235002 /nfs/dbraw/zinc/23/50/02/192235002.db2.gz DVWQTVWQGGULEM-UHFFFAOYSA-N 2 0 215.385 1.260 20 0 BDADRP C[N@@H+]1CC[C@@H](NCCC[NH3+])[C@@H]1c1ccccc1 ZINC000420390632 192236420 /nfs/dbraw/zinc/23/64/20/192236420.db2.gz ABXPQFIKPOBOBX-KGLIPLIRSA-N 2 0 233.359 1.370 20 0 BDADRP C[NH2+]CCC[NH2+][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000420404234 192238476 /nfs/dbraw/zinc/23/84/76/192238476.db2.gz LZGZEKAHQHMDRV-LSDHHAIUSA-N 2 0 248.370 1.963 20 0 BDADRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)C1CCCC1 ZINC000420399014 192238685 /nfs/dbraw/zinc/23/86/85/192238685.db2.gz HJRIVAMHRRERJW-LBPRGKRZSA-N 2 0 225.380 1.060 20 0 BDADRP CC(C)C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H](C)[NH3+] ZINC000420411530 192239156 /nfs/dbraw/zinc/23/91/56/192239156.db2.gz RTOPUFWRLFNPGC-UTUOFQBUSA-N 2 0 214.353 1.517 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccccn1 ZINC000420420652 192240671 /nfs/dbraw/zinc/24/06/71/192240671.db2.gz YCECHMUKFVHWAO-NEPJUHHUSA-N 2 0 219.332 1.732 20 0 BDADRP [NH3+]CCC[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000420416810 192241122 /nfs/dbraw/zinc/24/11/22/192241122.db2.gz VXOFAYZGIGQBRG-KGLIPLIRSA-N 2 0 234.343 1.703 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414919679 491092260 /nfs/dbraw/zinc/09/22/60/491092260.db2.gz VPWKJCBPRMMNBW-FVCCEPFGSA-N 2 0 225.380 1.377 20 0 BDADRP COC(C)(C)C[N@H+](C)CC1CC[NH2+]CC1 ZINC000379235454 356434577 /nfs/dbraw/zinc/43/45/77/356434577.db2.gz RVTYITOIVJQXEB-UHFFFAOYSA-N 2 0 214.353 1.343 20 0 BDADRP CC[C@H]1C[N@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000020593557 356489556 /nfs/dbraw/zinc/48/95/56/356489556.db2.gz AIIFDTMWBRTKOV-ZDUSSCGKSA-N 2 0 226.364 1.487 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2C[C@@H](O)C2)[C@@H](C)C1 ZINC000420927995 192286707 /nfs/dbraw/zinc/28/67/07/192286707.db2.gz AZEKRIYJDHKEJT-FQUUOJAGSA-N 2 0 240.391 1.419 20 0 BDADRP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422983522 192517126 /nfs/dbraw/zinc/51/71/26/192517126.db2.gz ZTQFHDJPWAXFFP-XQQFMLRXSA-N 2 0 228.380 1.643 20 0 BDADRP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1cn[nH]c1 ZINC000423014836 192539886 /nfs/dbraw/zinc/53/98/86/192539886.db2.gz PSRONODAOBITDH-GRZMOONWSA-N 2 0 222.336 1.578 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CCO[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000423019747 192542277 /nfs/dbraw/zinc/54/22/77/192542277.db2.gz WZTQLIWFJZJVAJ-RNJOBUHISA-N 2 0 226.364 1.674 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CC1(CO)CCC1 ZINC000423037175 192547888 /nfs/dbraw/zinc/54/78/88/192547888.db2.gz VPFJPUBUVPFESV-NSHDSACASA-N 2 0 214.353 1.256 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)NCC(C)(C)C[NH+]1CCCC1 ZINC000423080916 192560139 /nfs/dbraw/zinc/56/01/39/192560139.db2.gz UACGFNJUKUQJCI-OLZOCXBDSA-N 2 0 241.423 1.824 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](CO)CCC(C)(C)C ZINC000423092824 192563855 /nfs/dbraw/zinc/56/38/55/192563855.db2.gz DOVMMHRATIAQHZ-NWDGAFQWSA-N 2 0 230.396 1.891 20 0 BDADRP CCC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000167625019 134153281 /nfs/dbraw/zinc/15/32/81/134153281.db2.gz DBIZBRJBORRAFW-HZSPNIEDSA-N 2 0 240.391 1.564 20 0 BDADRP C[NH+]1CCC2(CC[N@H+](CC(C)(C)O)C2)CC1 ZINC000639757421 356663741 /nfs/dbraw/zinc/66/37/41/356663741.db2.gz LSCHAVODJMEYKN-UHFFFAOYSA-N 2 0 226.364 1.175 20 0 BDADRP Clc1cccc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000088287555 356657007 /nfs/dbraw/zinc/65/70/07/356657007.db2.gz BWXWOTWPTUWXIY-VXGBXAGGSA-N 2 0 236.746 1.991 20 0 BDADRP CCC[C@@H](O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639755874 356659463 /nfs/dbraw/zinc/65/94/63/356659463.db2.gz PVQDYTXHXRSDHW-CYBMUJFWSA-N 2 0 240.391 1.565 20 0 BDADRP COCC(C)(C)C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423136199 192581704 /nfs/dbraw/zinc/58/17/04/192581704.db2.gz UVTAUYYHJDILQU-VHSXEESVSA-N 2 0 202.342 1.374 20 0 BDADRP C[NH+]1CCC2(CC[N@H+](Cc3ccno3)C2)CC1 ZINC000639757746 356664717 /nfs/dbraw/zinc/66/47/17/356664717.db2.gz PDXHEEZHZFUSQG-UHFFFAOYSA-N 2 0 235.331 1.592 20 0 BDADRP COC[C@@H](C)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757744 356665124 /nfs/dbraw/zinc/66/51/24/356665124.db2.gz NAZNUVHAWGFQRO-GFCCVEGCSA-N 2 0 226.364 1.439 20 0 BDADRP C(C[NH+]1CCOCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000086573157 538557955 /nfs/dbraw/zinc/55/79/55/538557955.db2.gz BUCJBQKPPPGUTM-YHWZYXNKSA-N 2 0 224.348 1.239 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@H]2CCOC[C@H]2C)CC1 ZINC000353987220 356727571 /nfs/dbraw/zinc/72/75/71/356727571.db2.gz ODKGYFREGISMJZ-CHWSQXEVSA-N 2 0 240.391 1.733 20 0 BDADRP CCC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000450462516 202172586 /nfs/dbraw/zinc/17/25/86/202172586.db2.gz HAVIEJWDPDRLDE-KBPBESRZSA-N 2 0 242.407 1.811 20 0 BDADRP CC[NH2+]Cc1ccccc1NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000578193024 366377899 /nfs/dbraw/zinc/37/78/99/366377899.db2.gz KSRNFVSMEIDSHC-TXEJJXNPSA-N 2 0 247.342 1.472 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000423167068 192603952 /nfs/dbraw/zinc/60/39/52/192603952.db2.gz WDZOKLLONBHSJY-XJFOESAGSA-N 2 0 240.391 1.645 20 0 BDADRP [NH3+]CCC[NH2+]C1CCC(C(F)F)CC1 ZINC000423180058 192612866 /nfs/dbraw/zinc/61/28/66/192612866.db2.gz DWJLENZOJJOMGA-UHFFFAOYSA-N 2 0 206.280 1.749 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000423182891 192613327 /nfs/dbraw/zinc/61/33/27/192613327.db2.gz LXZRRTVNPXISBL-QJPTWQEYSA-N 2 0 238.331 1.479 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CC1([NH3+])CCCCC1 ZINC000423185009 192616271 /nfs/dbraw/zinc/61/62/71/192616271.db2.gz ULNRXQBJRUVXBV-LBPRGKRZSA-N 3 0 227.396 1.755 20 0 BDADRP C[N@@H+]1CCC[C@H]1CN[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623377275 356896402 /nfs/dbraw/zinc/89/64/02/356896402.db2.gz SPOMYXMGHMBXEO-STQMWFEESA-N 2 0 239.407 1.543 20 0 BDADRP CC[NH+]1CCC([NH2+]CCCOCC2CC2)CC1 ZINC000020190339 357000277 /nfs/dbraw/zinc/00/02/77/357000277.db2.gz XHVQDMNISKVLJI-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@@H]1CCC[C@@H](C)C1[NH2+]CCN1CC[NH2+]CC1 ZINC000423207727 192628144 /nfs/dbraw/zinc/62/81/44/192628144.db2.gz SERXEKFFNXSGNP-CHWSQXEVSA-N 2 0 239.407 1.306 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCC[C@H]1F ZINC000423196180 192621560 /nfs/dbraw/zinc/62/15/60/192621560.db2.gz ZEQKNGMYUISLOH-IRCOFANPSA-N 2 0 214.328 1.984 20 0 BDADRP [NH3+]CCC[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000423197446 192622823 /nfs/dbraw/zinc/62/28/23/192622823.db2.gz ZMAJTZPXRKGWPD-RWMBFGLXSA-N 2 0 226.364 1.520 20 0 BDADRP C[C@@H]1C[C@@H]1CN(CC[NH+](C)C)CC[NH+](C)C ZINC000582268191 356986753 /nfs/dbraw/zinc/98/67/53/356986753.db2.gz CEVQIRMRPKYMNQ-CHWSQXEVSA-N 2 0 227.396 1.068 20 0 BDADRP C[C@H]1C[C@@H]1CN(CC[NH+](C)C)CC[NH+](C)C ZINC000582268193 356986907 /nfs/dbraw/zinc/98/69/07/356986907.db2.gz CEVQIRMRPKYMNQ-QWHCGFSZSA-N 2 0 227.396 1.068 20 0 BDADRP C[C@H](C[NH3+])N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000389788446 357032838 /nfs/dbraw/zinc/03/28/38/357032838.db2.gz NSMTXEWTVCRCMK-NFAWXSAZSA-N 2 0 247.386 1.444 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCN(C(C)(C)C)C1=O ZINC000582302005 357040334 /nfs/dbraw/zinc/04/03/34/357040334.db2.gz RDQBJZWKDFDBNB-GARJFASQSA-N 2 0 241.379 1.101 20 0 BDADRP C(CN1CC[NH2+]CC1)[NH2+]C1CCC2(CC2)CC1 ZINC000423209186 192629521 /nfs/dbraw/zinc/62/95/21/192629521.db2.gz UVTRVDHAANGKND-UHFFFAOYSA-N 2 0 237.391 1.204 20 0 BDADRP CCCC[N@H+](C[C@H](O)CN(C)CC)C1CC1 ZINC000390652646 357109326 /nfs/dbraw/zinc/10/93/26/357109326.db2.gz NWPYUKUCHHHWRZ-CYBMUJFWSA-N 2 0 228.380 1.564 20 0 BDADRP C[C@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)[NH+](C)C ZINC000623403137 357066574 /nfs/dbraw/zinc/06/65/74/357066574.db2.gz LBBYITURGHCWDC-VXGBXAGGSA-N 2 0 227.396 1.399 20 0 BDADRP COCC1(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000656200524 538784717 /nfs/dbraw/zinc/78/47/17/538784717.db2.gz OJRSSFDGSIYNEJ-QWRGUYRKSA-N 2 0 212.337 1.143 20 0 BDADRP CC(C)[NH2+]CCC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000582409964 357137375 /nfs/dbraw/zinc/13/73/75/357137375.db2.gz MDUYFUJUJHZEQW-GFCCVEGCSA-N 2 0 241.379 1.008 20 0 BDADRP Cc1ncsc1CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000391126502 357122401 /nfs/dbraw/zinc/12/24/01/357122401.db2.gz DPIOXXBEUDTZFV-WDEREUQCSA-N 2 0 239.388 1.854 20 0 BDADRP C(C[C@@H]1CC[NH2+]C1)[NH2+][C@@H]1CCC12CCC2 ZINC000423254530 192654234 /nfs/dbraw/zinc/65/42/34/192654234.db2.gz YHWSQRRMSJCYOP-NWDGAFQWSA-N 2 0 208.349 1.908 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1cccnc1 ZINC000423272063 192665266 /nfs/dbraw/zinc/66/52/66/192665266.db2.gz JQBAHXVZCDYRRU-GHMZBOCLSA-N 2 0 207.321 1.588 20 0 BDADRP COCCCCC[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000393774300 357298640 /nfs/dbraw/zinc/29/86/40/357298640.db2.gz WJQOGFCUNCMYQY-LBPRGKRZSA-N 2 0 214.353 1.474 20 0 BDADRP C(C[NH+]1CCN(C2CCC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000393188245 357278533 /nfs/dbraw/zinc/27/85/33/357278533.db2.gz QWYAKNREOZYWKB-ZDUSSCGKSA-N 2 0 237.391 1.156 20 0 BDADRP CC[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)C(C)(C)O ZINC000394004615 357315265 /nfs/dbraw/zinc/31/52/65/357315265.db2.gz MLBSEUFLDBWKKT-VWYCJHECSA-N 2 0 214.353 1.395 20 0 BDADRP CC(C)(C[NH2+][C@H]1CCCOC1)C[NH+]1CCCC1 ZINC000357855620 538834809 /nfs/dbraw/zinc/83/48/09/538834809.db2.gz SKOWHVLSGRNJTC-ZDUSSCGKSA-N 2 0 240.391 1.877 20 0 BDADRP CC(C)([NH3+])C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000423289323 192683051 /nfs/dbraw/zinc/68/30/51/192683051.db2.gz WTQBLWRGYPYSTG-QJPTWQEYSA-N 2 0 238.375 1.661 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCOC2)CC1(C)C ZINC000623408246 357404744 /nfs/dbraw/zinc/40/47/44/357404744.db2.gz OGXRKNXGAWXMSC-VXGBXAGGSA-N 2 0 226.364 1.628 20 0 BDADRP COC[C@H](C)C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000583071817 357473078 /nfs/dbraw/zinc/47/30/78/357473078.db2.gz JUWZZOYSCRCSJP-LLVKDONJSA-N 2 0 214.353 1.248 20 0 BDADRP CCC(CC)[C@@H](O)C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000230469291 357525489 /nfs/dbraw/zinc/52/54/89/357525489.db2.gz ISVKQXOOKVTEDQ-STQMWFEESA-N 2 0 228.380 1.515 20 0 BDADRP CCC[NH+]1CCC([NH2+]C2CC(OC)C2)CC1 ZINC000230674230 357548369 /nfs/dbraw/zinc/54/83/69/357548369.db2.gz YCYPIGKJQXJXDB-UHFFFAOYSA-N 2 0 226.364 1.628 20 0 BDADRP Cn1ccc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000230899549 357578864 /nfs/dbraw/zinc/57/88/64/357578864.db2.gz VLVZQTSHFOAMGE-ZIAGYGMSSA-N 2 0 248.374 1.179 20 0 BDADRP Cc1ncsc1C[NH2+]CCOCC[NH+](C)C ZINC000231676172 357619995 /nfs/dbraw/zinc/61/99/95/357619995.db2.gz ZSQKTLNRQKINBD-UHFFFAOYSA-N 2 0 243.376 1.119 20 0 BDADRP Cc1cnc(C[NH2+]CC2CC[NH+](C)CC2)s1 ZINC000234313797 357800412 /nfs/dbraw/zinc/80/04/12/357800412.db2.gz TZTJDBNTDZSJDY-UHFFFAOYSA-N 2 0 239.388 1.883 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]1C(C)(C)O ZINC000191590380 357786711 /nfs/dbraw/zinc/78/67/11/357786711.db2.gz AVOYZGXFTOFBHX-CYBMUJFWSA-N 2 0 242.407 1.954 20 0 BDADRP Cc1c[nH+]ccc1N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000192927023 357853536 /nfs/dbraw/zinc/85/35/36/357853536.db2.gz FWCWXKCRBZWGMN-TXEJJXNPSA-N 2 0 217.316 1.388 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccccc1C ZINC000234795479 357828579 /nfs/dbraw/zinc/82/85/79/357828579.db2.gz GUSQZDILAASGSJ-AWEZNQCLSA-N 2 0 236.359 1.839 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@@H](OC)C1(C)C ZINC000234808580 357831769 /nfs/dbraw/zinc/83/17/69/357831769.db2.gz KAIDZUQLSJPNNY-QJPTWQEYSA-N 2 0 244.379 1.143 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1cccc(F)c1 ZINC000234731587 357833110 /nfs/dbraw/zinc/83/31/10/357833110.db2.gz LBXQCQRJUGRHAH-CYBMUJFWSA-N 2 0 240.322 1.669 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000398494298 357886126 /nfs/dbraw/zinc/88/61/26/357886126.db2.gz UOYYBTMZHQPLRL-IJLUTSLNSA-N 2 0 214.353 1.397 20 0 BDADRP COCCCCC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000584411098 357914026 /nfs/dbraw/zinc/91/40/26/357914026.db2.gz JFIXPMKUOIDQPA-CQSZACIVSA-N 2 0 240.391 1.879 20 0 BDADRP C[C@@H](O)[C@H](C)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000583807827 357954710 /nfs/dbraw/zinc/95/47/10/357954710.db2.gz CRPSNSWLSHTVHL-WDEREUQCSA-N 2 0 214.353 1.220 20 0 BDADRP Cc1ccc(O)c(CN2CCC[C@@H]2C[NH3+])n1 ZINC000168787698 134247803 /nfs/dbraw/zinc/24/78/03/134247803.db2.gz YCYXHUUTFISJDN-SNVBAGLBSA-N 2 0 221.304 1.019 20 0 BDADRP C[C@H](CN[C@H]1CCC[C@@H]1C[NH3+])[N@H+](C)C1CC1 ZINC000217614772 134249516 /nfs/dbraw/zinc/24/95/16/134249516.db2.gz MZCIHUVLXBCLKW-WZRBSPASSA-N 2 0 225.380 1.186 20 0 BDADRP COCCCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000217747145 134249673 /nfs/dbraw/zinc/24/96/73/134249673.db2.gz RMZBIJVLGHGLDW-RWMBFGLXSA-N 2 0 228.380 1.731 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)C2CC2)CC1(C)C ZINC000623418119 358062182 /nfs/dbraw/zinc/06/21/82/358062182.db2.gz CGWKSIWNBXSCLN-VXGBXAGGSA-N 2 0 226.364 1.220 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)C2CC2)CC1(C)C ZINC000623418118 358062610 /nfs/dbraw/zinc/06/26/10/358062610.db2.gz CGWKSIWNBXSCLN-RYUDHWBXSA-N 2 0 226.364 1.220 20 0 BDADRP C[NH+](C)Cc1ccc(NC(=O)CCC[NH3+])cc1 ZINC000037042505 358064038 /nfs/dbraw/zinc/06/40/38/358064038.db2.gz VLXAKRPRMDGXQC-UHFFFAOYSA-N 2 0 235.331 1.426 20 0 BDADRP CC[C@H]([NH3+])C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000037042515 358064159 /nfs/dbraw/zinc/06/41/59/358064159.db2.gz ZOPLTIIHLUUNIA-LBPRGKRZSA-N 2 0 235.331 1.424 20 0 BDADRP CCC1([NH+](C)C)CC[NH+](C[C@@H](C)CO)CC1 ZINC000640018240 358080670 /nfs/dbraw/zinc/08/06/70/358080670.db2.gz YDLMWBAVELQVGC-GFCCVEGCSA-N 2 0 228.380 1.421 20 0 BDADRP C[C@@H](c1ccc(Cl)cc1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000217807244 134250473 /nfs/dbraw/zinc/25/04/73/134250473.db2.gz AUGOLHCDEJQADW-CABZTGNLSA-N 2 0 242.750 1.652 20 0 BDADRP CC(C)OCCC[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000383518728 358117532 /nfs/dbraw/zinc/11/75/32/358117532.db2.gz IIEREASEJREYSM-VXGBXAGGSA-N 2 0 214.353 1.613 20 0 BDADRP C[C@@H](O)CCC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000450646198 202223435 /nfs/dbraw/zinc/22/34/35/202223435.db2.gz QUHLDWSUFMFSGE-CYBMUJFWSA-N 2 0 240.391 1.708 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000222996932 358217153 /nfs/dbraw/zinc/21/71/53/358217153.db2.gz DYHJSEKTZJQUFY-DDHJBXDOSA-N 2 0 212.337 1.413 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCCO2)C1 ZINC000222987482 358217328 /nfs/dbraw/zinc/21/73/28/358217328.db2.gz FKBUMPCKCICVAL-UTUOFQBUSA-N 2 0 212.337 1.415 20 0 BDADRP CCC[NH2+]CCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423305447 192693960 /nfs/dbraw/zinc/69/39/60/192693960.db2.gz BWZFSJXUHCZNHO-KGLIPLIRSA-N 2 0 233.359 1.720 20 0 BDADRP CCCN(CC[NH+](C)C)C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000041680321 358334134 /nfs/dbraw/zinc/33/41/34/358334134.db2.gz PEQRBGCACAMXAR-LLVKDONJSA-N 2 0 243.395 1.160 20 0 BDADRP C[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)C[C@H](C)S1 ZINC000227638835 358361232 /nfs/dbraw/zinc/36/12/32/358361232.db2.gz FKMNFEAFINMLJP-GRYCIOLGSA-N 2 0 228.405 1.812 20 0 BDADRP CSCCCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000229207979 358363705 /nfs/dbraw/zinc/36/37/05/358363705.db2.gz DTOILFWZXJCSDX-GHMZBOCLSA-N 2 0 216.394 1.989 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCCO2)C1 ZINC000173895578 134278641 /nfs/dbraw/zinc/27/86/41/134278641.db2.gz QUMBPHPURSNYRJ-STQMWFEESA-N 2 0 226.364 1.439 20 0 BDADRP CC[NH+]1CCC(C[NH2+]Cc2cscn2)CC1 ZINC000044517888 358389947 /nfs/dbraw/zinc/38/99/47/358389947.db2.gz BPLUKFJZKJEXDY-UHFFFAOYSA-N 2 0 239.388 1.965 20 0 BDADRP CCCCOCC[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000045107881 358401119 /nfs/dbraw/zinc/40/11/19/358401119.db2.gz RWXAJOXRDSUNDZ-NWDGAFQWSA-N 2 0 214.353 1.615 20 0 BDADRP CCC[C@@H](CC)[NH2+]CCOCC[NH+](C)C ZINC000219317468 134281139 /nfs/dbraw/zinc/28/11/39/134281139.db2.gz SFULKBVCUFBQPJ-GFCCVEGCSA-N 2 0 216.369 1.733 20 0 BDADRP Cc1cccnc1CN1CCC([NH+](C)C)CC1 ZINC000180431604 366452459 /nfs/dbraw/zinc/45/24/59/366452459.db2.gz OBEBIRSZDKOLBF-UHFFFAOYSA-N 2 0 233.359 1.916 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000130158679 358610630 /nfs/dbraw/zinc/61/06/30/358610630.db2.gz YSKLKVARBULHFK-AVGNSLFASA-N 2 0 228.380 1.467 20 0 BDADRP [NH3+][C@H]1CCCN(CCCOCC(F)(F)F)C1 ZINC000049313100 358681880 /nfs/dbraw/zinc/68/18/80/358681880.db2.gz IJPVRHAVVJWGLU-VIFPVBQESA-N 2 0 240.269 1.379 20 0 BDADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000049559678 358694815 /nfs/dbraw/zinc/69/48/15/358694815.db2.gz YDEHOUYNHABBRR-AAEUAGOBSA-N 2 0 249.358 1.143 20 0 BDADRP C[C@H](C[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)N(C)C ZINC000133294574 358749593 /nfs/dbraw/zinc/74/95/93/358749593.db2.gz NAJIRSLXDSJTAR-QJPTWQEYSA-N 2 0 225.380 1.151 20 0 BDADRP CC1(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)COC1 ZINC000132179118 358709563 /nfs/dbraw/zinc/70/95/63/358709563.db2.gz WPLGYONWEFQHOZ-QWHCGFSZSA-N 2 0 232.327 1.757 20 0 BDADRP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)C1CCOCC1 ZINC000132180469 358709763 /nfs/dbraw/zinc/70/97/63/358709763.db2.gz FXGUQEBOFHTXCS-GFCCVEGCSA-N 2 0 242.407 1.979 20 0 BDADRP CO[C@@H](C)[C@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000132247969 358713723 /nfs/dbraw/zinc/71/37/23/358713723.db2.gz NXRFOZHTJZBVFP-STQMWFEESA-N 2 0 228.380 1.875 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000132417928 358723470 /nfs/dbraw/zinc/72/34/70/358723470.db2.gz NZQAICPEASKCPZ-UMSGYPCISA-N 2 0 226.364 1.626 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1ccncc1 ZINC000132755343 358735304 /nfs/dbraw/zinc/73/53/04/358735304.db2.gz UYMHCBOVIRGFFN-OCCSQVGLSA-N 2 0 233.359 1.554 20 0 BDADRP CC[N@@H+]1CC[C@H](CN[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000222052061 358769594 /nfs/dbraw/zinc/76/95/94/358769594.db2.gz KPBMKOMEARGXFF-BFHYXJOUSA-N 2 0 239.407 1.401 20 0 BDADRP COC1(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)CCC1 ZINC000134714503 358802729 /nfs/dbraw/zinc/80/27/29/358802729.db2.gz ISVOZFUZQSFADW-NEPJUHHUSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H](C[NH2+]C1CSC1)C[NH+]1CCCC1 ZINC000308663081 491137635 /nfs/dbraw/zinc/13/76/35/491137635.db2.gz RCFRXEPEFOTDAD-JTQLQIEISA-N 2 0 214.378 1.423 20 0 BDADRP C[NH2+]CCC[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000578324048 366512640 /nfs/dbraw/zinc/51/26/40/366512640.db2.gz HKNCSHDTFIEIPA-GHMZBOCLSA-N 2 0 200.326 1.001 20 0 BDADRP [NH3+]C[C@H]1CCCN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000578329426 366519671 /nfs/dbraw/zinc/51/96/71/366519671.db2.gz CGPDPEDKQJOMON-OAHLLOKOSA-N 2 0 245.370 1.255 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC2(O)CCCCC2)C1 ZINC000086404637 358968203 /nfs/dbraw/zinc/96/82/03/358968203.db2.gz NDJDUBADYXGHIA-NEPJUHHUSA-N 2 0 226.364 1.541 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H]2O)CC1(C)C ZINC000623433107 358946662 /nfs/dbraw/zinc/94/66/62/358946662.db2.gz ZYCCRYWONJHBPA-RWMBFGLXSA-N 2 0 240.391 1.610 20 0 BDADRP COC(=O)CCC[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000069721168 359032401 /nfs/dbraw/zinc/03/24/01/359032401.db2.gz PFNQNNJSTUUUBI-LLVKDONJSA-N 2 0 228.336 1.143 20 0 BDADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000423324329 192707646 /nfs/dbraw/zinc/70/76/46/192707646.db2.gz BBJDSJXFPFBRLE-AGIUHOORSA-N 2 0 226.364 1.391 20 0 BDADRP COc1ccc(C[C@H](C)[NH2+]CCCC[NH3+])cn1 ZINC000423328690 192709202 /nfs/dbraw/zinc/70/92/02/192709202.db2.gz ODESRFZVTJBPDW-NSHDSACASA-N 2 0 237.347 1.350 20 0 BDADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H](CC)[NH+](C)C ZINC000247885317 359247377 /nfs/dbraw/zinc/24/73/77/359247377.db2.gz CXDNQKBAEVVXLY-RYUDHWBXSA-N 2 0 243.395 1.173 20 0 BDADRP C[N@@H+]1CCC[C@H]2CN(Cc3cccnc3)CC[C@H]21 ZINC000248125935 359254568 /nfs/dbraw/zinc/25/45/68/359254568.db2.gz NXUFUDZLGRQDNG-LSDHHAIUSA-N 2 0 245.370 1.998 20 0 BDADRP CO[C@@H](C)[C@H](C)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423436015 192768147 /nfs/dbraw/zinc/76/81/47/192768147.db2.gz ZESVAJKCBDQONI-CYDGBPFRSA-N 2 0 228.380 1.765 20 0 BDADRP C[NH+](C)CCOCC[NH2+]CC1(C)CCC1 ZINC000308920576 491140287 /nfs/dbraw/zinc/14/02/87/491140287.db2.gz OUOUCIOAYGSKCP-UHFFFAOYSA-N 2 0 214.353 1.344 20 0 BDADRP C1[NH2+]C[C@@H]2[C@H]1[C@H]2[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000423441164 192770211 /nfs/dbraw/zinc/77/02/11/192770211.db2.gz UKKQLKVYNWACOE-HQDLJHAYSA-N 2 0 232.371 1.619 20 0 BDADRP CC[C@H]1CCCC[C@@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423467056 192782380 /nfs/dbraw/zinc/78/23/80/192782380.db2.gz YVXBOWIOWQNCME-IEECTRCBSA-N 2 0 208.349 1.763 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)C1CC1 ZINC000423498183 192795263 /nfs/dbraw/zinc/79/52/63/192795263.db2.gz BOTCXPBROAAOHJ-RYUDHWBXSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](CN)C1CCCC1 ZINC000423503920 192797452 /nfs/dbraw/zinc/79/74/52/192797452.db2.gz NEXAQOPJXUJNOO-YPMHNXCESA-N 2 0 227.396 1.611 20 0 BDADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)[C@H]1CCCOC1 ZINC000423537523 192808246 /nfs/dbraw/zinc/80/82/46/192808246.db2.gz KHINTAKVNZNTCH-OCCSQVGLSA-N 2 0 238.375 1.701 20 0 BDADRP C1=C(CC[NH2+][C@@H]2CCCSC2)CC[NH2+]C1 ZINC000423546750 192809728 /nfs/dbraw/zinc/80/97/28/192809728.db2.gz ZIMRLTNBIUEOCJ-GFCCVEGCSA-N 2 0 226.389 1.781 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]CC2(O)CCCC2)CC1 ZINC000087015776 359894996 /nfs/dbraw/zinc/89/49/96/359894996.db2.gz XRVDIZGOTVSDDF-UHFFFAOYSA-N 2 0 240.391 1.754 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH+]1C)CC(C)(C)CO ZINC000451258924 202388326 /nfs/dbraw/zinc/38/83/26/202388326.db2.gz XCCRHEWLUQDAPM-LBPRGKRZSA-N 2 0 228.380 1.421 20 0 BDADRP Cc1n[nH]cc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088163835 359939047 /nfs/dbraw/zinc/93/90/47/359939047.db2.gz ICAWEVZTMNXWCD-AGUYFDCRSA-N 2 0 248.374 1.823 20 0 BDADRP C[C@H](CN[C@H]1CCC[C@@H]1C[NH3+])C[NH+]1CCCC1 ZINC000089150638 359993589 /nfs/dbraw/zinc/99/35/89/359993589.db2.gz LGNNXMHVRPBVRG-MCIONIFRSA-N 2 0 239.407 1.435 20 0 BDADRP COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cn1 ZINC000089140515 359992598 /nfs/dbraw/zinc/99/25/98/359992598.db2.gz DBUPZUMLDANGEA-OLZOCXBDSA-N 2 0 249.358 1.697 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000089150287 359993927 /nfs/dbraw/zinc/99/39/27/359993927.db2.gz ODBRJVSZRVNVBY-CMPLNLGQSA-N 2 0 248.326 1.632 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CCC[C@H]2O)CC1 ZINC000089163562 359996869 /nfs/dbraw/zinc/99/68/69/359996869.db2.gz LRVGKZFHVKPKLC-GXTWGEPZSA-N 2 0 240.391 1.610 20 0 BDADRP CC[N@H+](CC[C@H]1CCCC[NH+]1C)CC(C)(C)O ZINC000092982006 360208529 /nfs/dbraw/zinc/20/85/29/360208529.db2.gz NGTMBXNIVWDHLU-CYBMUJFWSA-N 2 0 242.407 1.954 20 0 BDADRP CN1CCN(C)[C@@H](C[NH2+][C@@H]2CCCC2(C)C)C1 ZINC000094308968 360302818 /nfs/dbraw/zinc/30/28/18/360302818.db2.gz XUXHDQDLDSHLMH-QWHCGFSZSA-N 2 0 239.407 1.401 20 0 BDADRP C([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCOCC1 ZINC000094722678 360316228 /nfs/dbraw/zinc/31/62/28/360316228.db2.gz XTEDWMXYUTYEFX-ZIAGYGMSSA-N 2 0 238.375 1.629 20 0 BDADRP C([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCOCC1 ZINC000094722680 360316396 /nfs/dbraw/zinc/31/63/96/360316396.db2.gz XTEDWMXYUTYEFX-UONOGXRCSA-N 2 0 238.375 1.629 20 0 BDADRP CC[C@H](CCO)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000094949309 360328387 /nfs/dbraw/zinc/32/83/87/360328387.db2.gz WFNIQGLJKAFTGN-CYBMUJFWSA-N 2 0 242.407 1.857 20 0 BDADRP COC[C@H](C)C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000578966593 366681424 /nfs/dbraw/zinc/68/14/24/366681424.db2.gz PDTLUBPCALSBSU-JHJVBQTASA-N 2 0 228.380 1.624 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H](CCO)C(C)C)CC1 ZINC000224194877 491149183 /nfs/dbraw/zinc/14/91/83/491149183.db2.gz GTIHRGKKDMCGIW-CQSZACIVSA-N 2 0 242.407 1.857 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000631198922 360760686 /nfs/dbraw/zinc/76/06/86/360760686.db2.gz MWFJXJAOOCQSCP-MCIONIFRSA-N 2 0 240.391 1.754 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414674932 200758100 /nfs/dbraw/zinc/75/81/00/200758100.db2.gz QEOMMTFJXBHUJS-JHJVBQTASA-N 3 0 239.407 1.434 20 0 BDADRP CCC1(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)CCOCC1 ZINC000414954095 200785711 /nfs/dbraw/zinc/78/57/11/200785711.db2.gz SFDOTRAKNBOMHH-OLZOCXBDSA-N 2 0 240.391 1.923 20 0 BDADRP CCC[NH2+]CCNC1CC[NH+](CC)CC1 ZINC000414870950 200773335 /nfs/dbraw/zinc/77/33/35/200773335.db2.gz NCOILXDYXXCRJL-UHFFFAOYSA-N 2 0 213.369 1.060 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1NC1CC[NH+](CC2CC2)CC1 ZINC000629406961 361055029 /nfs/dbraw/zinc/05/50/29/361055029.db2.gz RQKRBSFKPSBCRC-SMDDNHRTSA-N 2 0 237.391 1.201 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000309662924 491154061 /nfs/dbraw/zinc/15/40/61/491154061.db2.gz RZLPJVYCFNNJJS-QJPTWQEYSA-N 2 0 228.380 1.730 20 0 BDADRP CC(C)[C@H]1CCC[C@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629389921 361036275 /nfs/dbraw/zinc/03/62/75/361036275.db2.gz XHGHCASDRDIMOE-CHWSQXEVSA-N 2 0 240.391 1.909 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000629387528 361038654 /nfs/dbraw/zinc/03/86/54/361038654.db2.gz FADUVFGJIRCESI-MHDGFBEUSA-N 2 0 237.391 1.342 20 0 BDADRP CCC[C@@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629387069 361038664 /nfs/dbraw/zinc/03/86/64/361038664.db2.gz DGKQHLHVSAJAFA-SNVBAGLBSA-N 2 0 200.326 1.273 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@@H]1C ZINC000629391953 361041040 /nfs/dbraw/zinc/04/10/40/361041040.db2.gz FXHLCWOWISXFIO-WDEREUQCSA-N 2 0 200.326 1.001 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H]1CCc2ccccc2C1 ZINC000629392782 361042082 /nfs/dbraw/zinc/04/20/82/361042082.db2.gz SZHWXHRUEYFSAA-HNNXBMFYSA-N 2 0 248.370 1.370 20 0 BDADRP C[C@@H]1CCCC[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629397819 361047517 /nfs/dbraw/zinc/04/75/17/361047517.db2.gz DAIJPAATWKAYAS-VXGBXAGGSA-N 2 0 214.353 1.520 20 0 BDADRP [NH3+]CCCOCC[NH2+]Cc1cccs1 ZINC000629397728 361047940 /nfs/dbraw/zinc/04/79/40/361047940.db2.gz BWKHPZFRTSCHRF-UHFFFAOYSA-N 2 0 214.334 1.203 20 0 BDADRP COc1ccc(C[NH2+]CCOCCC[NH3+])cc1 ZINC000629398670 361048898 /nfs/dbraw/zinc/04/88/98/361048898.db2.gz WSOYMEHPMKTCRI-UHFFFAOYSA-N 2 0 238.331 1.150 20 0 BDADRP [NH3+]CCCOCC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000629398371 361048979 /nfs/dbraw/zinc/04/89/79/361048979.db2.gz SBAFYALWWOIRKK-OAHLLOKOSA-N 2 0 248.370 1.499 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000629404125 361050063 /nfs/dbraw/zinc/05/00/63/361050063.db2.gz KALIBZZBMZGTPC-KBPBESRZSA-N 2 0 240.391 1.781 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000629404040 361050072 /nfs/dbraw/zinc/05/00/72/361050072.db2.gz HTSXGOZWILOAPO-KBPBESRZSA-N 2 0 240.391 1.781 20 0 BDADRP [NH3+]CCCOCC[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000629399659 361051156 /nfs/dbraw/zinc/05/11/56/361051156.db2.gz JRLBDRGAKZWZOK-KGLIPLIRSA-N 2 0 240.391 1.910 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000629401526 361051917 /nfs/dbraw/zinc/05/19/17/361051917.db2.gz CFXOJYKUBGEAGZ-JHJVBQTASA-N 2 0 228.380 1.637 20 0 BDADRP CC(C)[C@H]1C[C@@H]([NH2+]CCOCCC[NH3+])CCO1 ZINC000629400400 361051972 /nfs/dbraw/zinc/05/19/72/361051972.db2.gz WFQDCHAEWWBBMJ-QWHCGFSZSA-N 2 0 244.379 1.145 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H](C)Cc1ccsc1 ZINC000629404902 361054497 /nfs/dbraw/zinc/05/44/97/361054497.db2.gz SXLQCYRPXIAUED-LLVKDONJSA-N 2 0 242.388 1.505 20 0 BDADRP CCCn1cc(CN[C@H]2CC[C@@H](C)[NH2+]C2)cn1 ZINC000629418407 361062952 /nfs/dbraw/zinc/06/29/52/361062952.db2.gz XWNLPZYEXOCKQT-YPMHNXCESA-N 2 0 236.363 1.523 20 0 BDADRP C[NH2+]Cc1ccc(NC2CC[NH2+]CC2)cc1 ZINC000414971012 219885249 /nfs/dbraw/zinc/88/52/49/219885249.db2.gz HKSZWFXJMXFZDB-UHFFFAOYSA-N 2 0 219.332 1.570 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CC[C@H]1CCCOC1 ZINC000629509691 361103333 /nfs/dbraw/zinc/10/33/33/361103333.db2.gz HWIQAIWKBWKLAY-OLZOCXBDSA-N 2 0 244.379 1.147 20 0 BDADRP Cc1cccc2c1C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)CO2 ZINC000629513908 361111138 /nfs/dbraw/zinc/11/11/38/361111138.db2.gz JBPCGGZYJDFMLD-AAEUAGOBSA-N 2 0 246.354 1.496 20 0 BDADRP [NH3+]C1(C[NH2+][C@@H]2CCCC23CCC3)CCOCC1 ZINC000629520059 361120438 /nfs/dbraw/zinc/12/04/38/361120438.db2.gz KAJVLURQJWOGFZ-GFCCVEGCSA-N 2 0 238.375 1.807 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCN1CC(F)F ZINC000629520229 361116671 /nfs/dbraw/zinc/11/66/71/361116671.db2.gz UZIYOFAVCNQRQZ-HBNTYKKESA-N 2 0 247.333 1.185 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000629527577 361130209 /nfs/dbraw/zinc/13/02/09/361130209.db2.gz ZEFNIHDHCLILKF-QNWHQSFQSA-N 2 0 226.364 1.532 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)CCCCO ZINC000629527087 361132394 /nfs/dbraw/zinc/13/23/94/361132394.db2.gz JUBZURNVDZFYLY-GRYCIOLGSA-N 2 0 214.353 1.268 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000629528470 361136767 /nfs/dbraw/zinc/13/67/67/361136767.db2.gz ZTCXSLYAPONCEO-WUHRBBMRSA-N 2 0 225.380 1.247 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC000629528988 361138856 /nfs/dbraw/zinc/13/88/56/361138856.db2.gz ONAJHCSMSCHARS-NSHDSACASA-N 2 0 240.322 1.712 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H](C)c1cccc(O)c1 ZINC000629530195 361143619 /nfs/dbraw/zinc/14/36/19/361143619.db2.gz YTPYHLDLBCHURI-LLVKDONJSA-N 2 0 238.331 1.279 20 0 BDADRP C[NH2+]CCOCC[NH2+]C(C1CCC1)C1CCC1 ZINC000629530376 361144420 /nfs/dbraw/zinc/14/44/20/361144420.db2.gz DWNOCWBGFMUNKC-UHFFFAOYSA-N 2 0 240.391 1.781 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000629530326 361144464 /nfs/dbraw/zinc/14/44/64/361144464.db2.gz CQBSPJAJOPGZLF-QWHCGFSZSA-N 2 0 226.364 1.391 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1cccnc1C ZINC000629531898 361149838 /nfs/dbraw/zinc/14/98/38/361149838.db2.gz CPKVSCKIPCOSIQ-CYBMUJFWSA-N 2 0 237.347 1.234 20 0 BDADRP CC(C)[C@@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629524148 361121377 /nfs/dbraw/zinc/12/13/77/361121377.db2.gz MKQLDORFLOMXII-SNVBAGLBSA-N 2 0 200.326 1.128 20 0 BDADRP C[C@H]([NH2+]CC1([NH3+])CCOCC1)C(C)(C)C ZINC000629522166 361123024 /nfs/dbraw/zinc/12/30/24/361123024.db2.gz WPILUKBADJOHFM-JTQLQIEISA-N 2 0 214.353 1.519 20 0 BDADRP CC1(C)C[N@H+](C[C@@H]2CCC[NH2+]C2)CCS1 ZINC000158592119 361205703 /nfs/dbraw/zinc/20/57/03/361205703.db2.gz RPAOUPHJIWVZEA-LLVKDONJSA-N 2 0 228.405 1.813 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CC[C@@H]1CC1(F)F ZINC000622043479 370674518 /nfs/dbraw/zinc/67/45/18/370674518.db2.gz BQDKRTNDURQSKB-ZJUUUORDSA-N 2 0 236.306 1.375 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCCc2cccnc21 ZINC000622044594 370677038 /nfs/dbraw/zinc/67/70/38/370677038.db2.gz LPVKGBHZTUDMRI-CMPLNLGQSA-N 2 0 219.332 1.786 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+]CC[C@H](C)[NH3+])C1(C)C ZINC000622045150 370678950 /nfs/dbraw/zinc/67/89/50/370678950.db2.gz DJEGGWAAHCEMMQ-DCAQKATOSA-N 2 0 214.353 1.517 20 0 BDADRP CC[C@@H]([NH2+]CC[C@H](C)[NH3+])[C@@H]1CCOC1 ZINC000622045341 370680021 /nfs/dbraw/zinc/68/00/21/370680021.db2.gz OAPWUWNMDFTJSG-HBNTYKKESA-N 2 0 200.326 1.128 20 0 BDADRP C[C@@H](C(=O)Nc1ccn2ccnc2c1)N(C)C ZINC000614274872 363767300 /nfs/dbraw/zinc/76/73/00/363767300.db2.gz DQXZMUKMSGNSIS-VIFPVBQESA-N 2 0 232.287 1.223 20 0 BDADRP C[C@H]([NH3+])CCNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000429036867 201061026 /nfs/dbraw/zinc/06/10/26/201061026.db2.gz VBUSQNSJTWGBLB-QJPTWQEYSA-N 2 0 241.379 1.138 20 0 BDADRP C[C@@H]1CC[C@H](N[C@@H]2CCCCC[C@@H]2[NH3+])C[NH2+]1 ZINC000629536195 361398845 /nfs/dbraw/zinc/39/88/45/361398845.db2.gz FBCQAOCFAPZSDC-MROQNXINSA-N 2 0 225.380 1.377 20 0 BDADRP [NH3+]C1(C[NH2+]CCCOc2ccccc2)CCC1 ZINC000342098292 181332860 /nfs/dbraw/zinc/33/28/60/181332860.db2.gz IEWMHDSYEBWPCC-UHFFFAOYSA-N 2 0 234.343 1.927 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc[nH]c1=O ZINC000629544707 361423207 /nfs/dbraw/zinc/42/32/07/361423207.db2.gz KGZBJRRWZNXICD-PWSUYJOCSA-N 2 0 235.331 1.394 20 0 BDADRP C[NH+](C)CC1CCC([NH2+]CC(C)(C)O)CC1 ZINC000579465352 366815881 /nfs/dbraw/zinc/81/58/81/366815881.db2.gz VBRVRBKLTSELHW-UHFFFAOYSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000629545045 361424776 /nfs/dbraw/zinc/42/47/76/361424776.db2.gz AMENRGXJWPAFKD-VZZFWQQMSA-N 2 0 238.375 1.532 20 0 BDADRP O=c1[nH]cccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000629548148 361432497 /nfs/dbraw/zinc/43/24/97/361432497.db2.gz WFAXMQPPIWLORX-WCFLWFBJSA-N 2 0 247.342 1.265 20 0 BDADRP CC1(C)CCC(C)(C)[N@H+](CCOCC[NH3+])C1 ZINC000629544214 361435885 /nfs/dbraw/zinc/43/58/85/361435885.db2.gz GONBAMQOMAYOSL-UHFFFAOYSA-N 2 0 228.380 1.862 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000629555012 361436458 /nfs/dbraw/zinc/43/64/58/361436458.db2.gz PXRYQQCFCFMZGX-WUHRBBMRSA-N 2 0 226.364 1.519 20 0 BDADRP C1C[C@H](N[C@@H]2CC[NH2+]C2)[C@@H]([C@H]2CCCC[NH2+]2)C1 ZINC000629553872 361439663 /nfs/dbraw/zinc/43/96/63/361439663.db2.gz CUVQIXFCDNVPEE-SYQHCUMBSA-N 2 0 237.391 1.249 20 0 BDADRP CN1CCC[C@H]1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000629551815 361443937 /nfs/dbraw/zinc/44/39/37/361443937.db2.gz XTCSEBDHTWAFJC-AGIUHOORSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@H]([NH2+]CCOCCC[NH3+])c1ccncc1 ZINC000629541967 361418235 /nfs/dbraw/zinc/41/82/35/361418235.db2.gz VIILJVRNMMNPIO-NSHDSACASA-N 2 0 223.320 1.098 20 0 BDADRP CC[C@H](C)[C@@H](C)[NH2+]CCOCCC[NH3+] ZINC000629542075 361418244 /nfs/dbraw/zinc/41/82/44/361418244.db2.gz XUJYXLKBWMLHQW-WDEREUQCSA-N 2 0 202.342 1.376 20 0 BDADRP C([C@H]1CCCCO1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000381557864 361481147 /nfs/dbraw/zinc/48/11/47/361481147.db2.gz PHGZNWWOVUBMQN-UPJWGTAASA-N 2 0 224.348 1.239 20 0 BDADRP [NH3+]C[C@@H]1C[N@H+](CC2CC2)CC[C@@H]1C(F)(F)F ZINC000629561778 361456761 /nfs/dbraw/zinc/45/67/61/361456761.db2.gz JGZHHOKESWXCBW-ZJUUUORDSA-N 2 0 236.281 1.856 20 0 BDADRP COC[C@@H]([NH2+]CCN1CC[C@@H](C)C1)C1CC1 ZINC000309969976 491158707 /nfs/dbraw/zinc/15/87/07/491158707.db2.gz OYIAUVSVGLNHRR-DGCLKSJQSA-N 2 0 226.364 1.343 20 0 BDADRP CC[C@@H](C(=O)Nc1ccc(C[NH3+])cc1)[NH+](C)C ZINC000629611918 361502491 /nfs/dbraw/zinc/50/24/91/361502491.db2.gz KANLFEPIHRKYBD-LBPRGKRZSA-N 2 0 235.331 1.424 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC1=CCCOC1 ZINC000629646809 361535242 /nfs/dbraw/zinc/53/52/42/361535242.db2.gz FDQRENKHNGAKRU-ZYHUDNBSSA-N 2 0 210.321 1.002 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+]CC1(OC)CCCC1 ZINC000629648920 361543103 /nfs/dbraw/zinc/54/31/03/361543103.db2.gz CPPGNCIOHCFBCY-SNVBAGLBSA-N 2 0 200.326 1.273 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccn(C)c2)C1 ZINC000629652018 361549525 /nfs/dbraw/zinc/54/95/25/361549525.db2.gz SMRINGNBAKYAMF-YPMHNXCESA-N 2 0 221.348 1.584 20 0 BDADRP Cn1ccc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000629653324 361553154 /nfs/dbraw/zinc/55/31/54/361553154.db2.gz ICYWWEMGNWISNW-LBPRGKRZSA-N 2 0 221.348 1.586 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)C[C@@H](C)C(C)(C)C ZINC000629653658 361553377 /nfs/dbraw/zinc/55/33/77/361553377.db2.gz LQVIPPZMJDXQGE-GFCCVEGCSA-N 2 0 230.396 1.836 20 0 BDADRP C1=C(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)COCC1 ZINC000629653939 361554491 /nfs/dbraw/zinc/55/44/91/361554491.db2.gz NLDSFZGJMJVUBL-OKILXGFUSA-N 2 0 236.359 1.265 20 0 BDADRP C([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@H]1CCSC1 ZINC000629651007 361556080 /nfs/dbraw/zinc/55/60/80/361556080.db2.gz NOIIQGKARIPXQM-GHMZBOCLSA-N 2 0 226.389 1.614 20 0 BDADRP Cc1cc(C[N@H+](C)CCOCC[NH3+])ccc1F ZINC000629661584 361594502 /nfs/dbraw/zinc/59/45/02/361594502.db2.gz CTRMAWXMMUYGTF-UHFFFAOYSA-N 2 0 240.322 1.541 20 0 BDADRP COc1ccsc1C[N@H+](C)CCOCC[NH3+] ZINC000629665319 361587536 /nfs/dbraw/zinc/58/75/36/361587536.db2.gz URPSUAPTQIIZNZ-UHFFFAOYSA-N 2 0 244.360 1.164 20 0 BDADRP CCC1([NH2+][C@H](CCC[NH3+])COC)CC1 ZINC000448552506 201243163 /nfs/dbraw/zinc/24/31/63/201243163.db2.gz BFUPNZBFGCHYHM-SNVBAGLBSA-N 2 0 200.326 1.273 20 0 BDADRP [NH3+]C1CCC([NH2+]CCc2ccc(O)cc2)CC1 ZINC000094088144 181341093 /nfs/dbraw/zinc/34/10/93/181341093.db2.gz ZJAAVYRPIPGKAW-UHFFFAOYSA-N 2 0 234.343 1.794 20 0 BDADRP CC[N@H+](C[C@H]1CCCOC1)[C@H]1CCC[NH2+]CC1 ZINC000435388715 201266778 /nfs/dbraw/zinc/26/67/78/201266778.db2.gz GWEIRQQMOCSVOY-KGLIPLIRSA-N 2 0 240.391 1.877 20 0 BDADRP CCC[NH+]1CCC(NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000154505757 201281779 /nfs/dbraw/zinc/28/17/79/201281779.db2.gz FFGLPSFHCYKLOF-AWEZNQCLSA-N 2 0 239.407 1.545 20 0 BDADRP CC[C@@H](C)[NH2+]CCCN1CC[NH+](CC)CC1 ZINC000154296288 201274238 /nfs/dbraw/zinc/27/42/38/201274238.db2.gz VXWXIGFDUIJDJY-CYBMUJFWSA-N 2 0 227.396 1.402 20 0 BDADRP C[NH2+]Cc1ccc(C2=CC[NH2+]CC2)cc1 ZINC000629722856 361663460 /nfs/dbraw/zinc/66/34/60/361663460.db2.gz FWWXJXFTCBGKRR-UHFFFAOYSA-N 2 0 202.301 1.783 20 0 BDADRP CC(C)C[C@H]([NH3+])c1noc(C(C)(C)C[NH3+])n1 ZINC000435908041 201297960 /nfs/dbraw/zinc/29/79/60/201297960.db2.gz SNQPMIFAKHPHCD-QMMMGPOBSA-N 2 0 226.324 1.352 20 0 BDADRP CC(C)C[C@@H]([NH3+])c1noc(C(C)(C)C[NH3+])n1 ZINC000435908040 201298411 /nfs/dbraw/zinc/29/84/11/201298411.db2.gz SNQPMIFAKHPHCD-MRVPVSSYSA-N 2 0 226.324 1.352 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000435886179 201293698 /nfs/dbraw/zinc/29/36/98/201293698.db2.gz UBGOEWABNPSTGV-GFCCVEGCSA-N 2 0 222.336 1.130 20 0 BDADRP CCOC(C)(C)C[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000437095047 201343188 /nfs/dbraw/zinc/34/31/88/201343188.db2.gz JKDAPOXMBWINIA-WCQYABFASA-N 2 0 240.391 1.874 20 0 BDADRP CC[C@H]([NH2+]CCN(C)C(C)C)[C@H]1CCOC1 ZINC000155779799 201354167 /nfs/dbraw/zinc/35/41/67/201354167.db2.gz QPLSXDVAQSBHDV-STQMWFEESA-N 2 0 228.380 1.731 20 0 BDADRP C[NH+](C)C1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000437586148 201360745 /nfs/dbraw/zinc/36/07/45/201360745.db2.gz XLVRLTNYSQXEJZ-LBPRGKRZSA-N 2 0 226.364 1.439 20 0 BDADRP CC[C@H](O)C[NH2+]CCC1CC[NH+](C)CC1 ZINC000125143307 363914818 /nfs/dbraw/zinc/91/48/18/363914818.db2.gz RAFIMNJFONHFJV-LBPRGKRZSA-N 2 0 214.353 1.079 20 0 BDADRP CC[C@@H]([NH3+])c1cn(-c2cccc(C[NH3+])c2)nn1 ZINC000630608084 364333915 /nfs/dbraw/zinc/33/39/15/364333915.db2.gz VDIAWVLOHZAWQB-LLVKDONJSA-N 2 0 231.303 1.136 20 0 BDADRP [NH3+]CC1CC[NH+]([C@H]2CCSC2)CC1 ZINC000044511932 181365505 /nfs/dbraw/zinc/36/55/05/181365505.db2.gz ARSYIEPHCWGSGH-JTQLQIEISA-N 2 0 200.351 1.163 20 0 BDADRP C[N@H+](CCCC[NH2+][C@@H]1CCOC1)C1CC1 ZINC000453413912 202767791 /nfs/dbraw/zinc/76/77/91/202767791.db2.gz WTEXMMKDAUYIJK-LLVKDONJSA-N 2 0 212.337 1.239 20 0 BDADRP CC[NH+](CC)C[C@@H](C)NC(=O)CC1([NH3+])CCC1 ZINC000094295267 487527883 /nfs/dbraw/zinc/52/78/83/487527883.db2.gz RULXZNVGWSCNMY-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@@H]1CC[C@H](N[C@H]2CC[N@H+](C)[C@@H](C)C2)C[NH2+]1 ZINC000399080708 364782693 /nfs/dbraw/zinc/78/26/93/364782693.db2.gz RRZGPSISTSJJBD-VOAKCMCISA-N 2 0 225.380 1.199 20 0 BDADRP CC1(C)OCC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000336897529 364850370 /nfs/dbraw/zinc/85/03/70/364850370.db2.gz PJDQGUBOSYMZLD-AAEUAGOBSA-N 2 0 238.375 1.628 20 0 BDADRP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000573565919 364862866 /nfs/dbraw/zinc/86/28/66/364862866.db2.gz FPBAVDNDUQJXPU-LOWVWBTDSA-N 2 0 249.358 1.237 20 0 BDADRP C[C@H]([NH3+])CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000573486360 364844197 /nfs/dbraw/zinc/84/41/97/364844197.db2.gz RGPKJXWQGIPJMI-NSHDSACASA-N 2 0 249.358 1.215 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000573567986 364864629 /nfs/dbraw/zinc/86/46/29/364864629.db2.gz SOSFTRCOQOBBOQ-WDMOLILDSA-N 2 0 249.358 1.103 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1c1nc(C2([NH3+])CCC2)no1 ZINC000573800888 364918267 /nfs/dbraw/zinc/91/82/67/364918267.db2.gz DDAHAYRWIRRRKB-BDAKNGLRSA-N 2 0 236.319 1.263 20 0 BDADRP C[C@@H](CNC1CC[NH+](CC2CC2)CC1)[NH+](C)C ZINC000574029792 364969217 /nfs/dbraw/zinc/96/92/17/364969217.db2.gz ZPYLLWFYJLRWQU-LBPRGKRZSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@H](C[NH3+])N(C)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000574037948 364972508 /nfs/dbraw/zinc/97/25/08/364972508.db2.gz OCKWOSWEDPTUHX-VXGBXAGGSA-N 2 0 241.379 1.057 20 0 BDADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCCC[C@@H](C)C1 ZINC000574164479 364999473 /nfs/dbraw/zinc/99/94/73/364999473.db2.gz LHTVZHUHPLGZFW-NEPJUHHUSA-N 2 0 214.353 1.079 20 0 BDADRP CC1=CCN(CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000574339287 365041463 /nfs/dbraw/zinc/04/14/63/365041463.db2.gz OWCNBUKDWVTJKC-KBPBESRZSA-N 2 0 237.391 1.498 20 0 BDADRP C[C@H](O)[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000574392832 365050826 /nfs/dbraw/zinc/05/08/26/365050826.db2.gz IGWNIZULSMMUDJ-FIQHERPVSA-N 2 0 214.353 1.218 20 0 BDADRP C[NH2+]CCCN(C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000574284823 365028638 /nfs/dbraw/zinc/02/86/38/365028638.db2.gz WSVFNEHWZAFCQJ-UHFFFAOYSA-N 2 0 247.386 1.374 20 0 BDADRP CC(C)[NH2+]CCC(=O)NC(C)(C)CCC[NH3+] ZINC000574638785 365109262 /nfs/dbraw/zinc/10/92/62/365109262.db2.gz JUNDDABPGBZINV-UHFFFAOYSA-N 2 0 229.368 1.008 20 0 BDADRP CC(C)(CC[NH3+])NC(=O)c1ccc(C[NH3+])cc1 ZINC000575047363 365176573 /nfs/dbraw/zinc/17/65/73/365176573.db2.gz NJVOMISFJYRPAX-UHFFFAOYSA-N 2 0 235.331 1.003 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000442928014 193005411 /nfs/dbraw/zinc/00/54/11/193005411.db2.gz PAWYIXSTWLJVJQ-STQMWFEESA-N 2 0 225.380 1.047 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCCOCC2)C1 ZINC000379788321 365272120 /nfs/dbraw/zinc/27/21/20/365272120.db2.gz INMXTXIKBVXPLP-UTUOFQBUSA-N 2 0 212.337 1.415 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000575988769 365437453 /nfs/dbraw/zinc/43/74/53/365437453.db2.gz YQMJZYIATAJKHG-PHIMTYICSA-N 2 0 233.315 1.082 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH+]1C)C1CCOCC1 ZINC000576129119 365496234 /nfs/dbraw/zinc/49/62/34/365496234.db2.gz ZEVDBWPSLKMAIL-LBPRGKRZSA-N 2 0 226.364 1.582 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(C)(C)O ZINC000157550325 541488958 /nfs/dbraw/zinc/48/89/58/541488958.db2.gz MXMPHEBCPCSQRV-SDDRHHMPSA-N 2 0 226.364 1.362 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])CCO1 ZINC000579833437 367038072 /nfs/dbraw/zinc/03/80/72/367038072.db2.gz AVOQAFKICZQEMV-WUHRBBMRSA-N 2 0 228.380 1.907 20 0 BDADRP [NH3+][C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000580844563 367187349 /nfs/dbraw/zinc/18/73/49/367187349.db2.gz RSOWQBTXNMBCQR-MGPQQGTHSA-N 2 0 233.359 1.546 20 0 BDADRP CC(C)C[C@H]([NH3+])c1noc([C@@H]2CC[NH2+][C@H]2C)n1 ZINC000580892160 367199345 /nfs/dbraw/zinc/19/93/45/367199345.db2.gz DLKDVOKWFFLODB-AEJSXWLSSA-N 2 0 238.335 1.581 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000581132214 367271948 /nfs/dbraw/zinc/27/19/48/367271948.db2.gz DGGZHVPVMOWURG-IUODEOHRSA-N 3 0 247.386 1.575 20 0 BDADRP CC[C@H]1C[N@H+](C)CCN1c1ncnc2[nH]ccc21 ZINC000581323057 367348155 /nfs/dbraw/zinc/34/81/55/367348155.db2.gz PUWDBVQBKVHVNQ-JTQLQIEISA-N 2 0 245.330 1.488 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2)[C@H](C)O1 ZINC000581251772 367309246 /nfs/dbraw/zinc/30/92/46/367309246.db2.gz LSRJLDHHLFJMKH-UHIISALHSA-N 2 0 234.343 1.801 20 0 BDADRP COCC1(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CCC1 ZINC000381292581 367376138 /nfs/dbraw/zinc/37/61/38/367376138.db2.gz DUPSALBPMCIRMT-NEPJUHHUSA-N 2 0 226.364 1.663 20 0 BDADRP C(C[NH2+]CC[C@@H]1CCOC1)C[NH2+]C1CC1 ZINC000382562314 367540124 /nfs/dbraw/zinc/54/01/24/367540124.db2.gz WZKAWHNZTPOFFO-LLVKDONJSA-N 2 0 212.337 1.145 20 0 BDADRP C[C@H](O)[C@H]1CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000581489206 367518838 /nfs/dbraw/zinc/51/88/38/367518838.db2.gz PJBQJACLSLIDAG-AVGNSLFASA-N 2 0 226.364 1.079 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](NCC2([NH3+])CCCCCC2)C1 ZINC000581559253 367589925 /nfs/dbraw/zinc/58/99/25/367589925.db2.gz RTORIDBBTUPHMC-OLZOCXBDSA-N 2 0 239.407 1.898 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000383080965 367594183 /nfs/dbraw/zinc/59/41/83/367594183.db2.gz UABDRLILNOZJCO-UBHSHLNASA-N 2 0 240.391 1.597 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCCC2)[C@H](C)O1 ZINC000384571684 367701791 /nfs/dbraw/zinc/70/17/91/367701791.db2.gz JGQSUQBRFCIFGU-FRRDWIJNSA-N 2 0 226.364 1.628 20 0 BDADRP Cn1cncc1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000384584818 367703391 /nfs/dbraw/zinc/70/33/91/367703391.db2.gz UFGROKVLHAQAJL-CMPLNLGQSA-N 2 0 222.336 1.027 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccccc2CO)C1 ZINC000581677685 367705617 /nfs/dbraw/zinc/70/56/17/367705617.db2.gz JWUZXAQMRWJXCC-KBPBESRZSA-N 2 0 234.343 1.538 20 0 BDADRP CC[C@@H]1[C@H](C)CC[N@@H+]1CCOCC[NH3+] ZINC000384048547 367669363 /nfs/dbraw/zinc/66/93/63/367669363.db2.gz RTCBXWCUYYTDLR-GHMZBOCLSA-N 2 0 200.326 1.082 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000384776874 367729862 /nfs/dbraw/zinc/72/98/62/367729862.db2.gz VRGJBJFVBKPAMN-GRYCIOLGSA-N 2 0 214.353 1.255 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC2CC[NH+](C)CC2)[C@H](C)O1 ZINC000384869095 367747692 /nfs/dbraw/zinc/74/76/92/367747692.db2.gz IEPZPCCVWRPZOR-DYEKYZERSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@H](CC(C)(C)O)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000384877069 367748582 /nfs/dbraw/zinc/74/85/82/367748582.db2.gz PUOQRUZWLOASBQ-MXWKQRLJSA-N 2 0 214.353 1.395 20 0 BDADRP Cc1cnccc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000384910882 367756511 /nfs/dbraw/zinc/75/65/11/367756511.db2.gz BVIJSEVGJPSDRB-BXUZGUMPSA-N 2 0 233.359 1.807 20 0 BDADRP C[C@H](CC(C)(C)O)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000384949156 367763008 /nfs/dbraw/zinc/76/30/08/367763008.db2.gz FYFISAPBJZFJRM-WOPDTQHZSA-N 2 0 228.380 1.643 20 0 BDADRP Cc1cnccc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000385077128 367784212 /nfs/dbraw/zinc/78/42/12/367784212.db2.gz XTHJIYABESNUDG-ZDUSSCGKSA-N 2 0 233.359 1.951 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCSCC[C@H]1C ZINC000385409389 367826877 /nfs/dbraw/zinc/82/68/77/367826877.db2.gz SWXFYMYJPRANSO-VXGBXAGGSA-N 2 0 246.420 1.126 20 0 BDADRP CC(C)(CO)CC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000385953187 367890313 /nfs/dbraw/zinc/89/03/13/367890313.db2.gz XVBQOVYPHYGQEP-NEPJUHHUSA-N 2 0 228.380 1.502 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](CO)C2CCCC2)C1 ZINC000385999954 367895515 /nfs/dbraw/zinc/89/55/15/367895515.db2.gz KKTAIUASODTSBX-AGIUHOORSA-N 2 0 226.364 1.397 20 0 BDADRP C[C@H](NC[C@@H](O)CC(C)(C)C)[C@H]1CCCC[NH2+]1 ZINC000386419443 367966649 /nfs/dbraw/zinc/96/66/49/367966649.db2.gz JZFONUKJWVAJPA-RWMBFGLXSA-N 2 0 242.407 1.904 20 0 BDADRP C[C@H]1C[C@@H](C[NH+]2CCC(CC[NH3+])CC2)CC[NH2+]1 ZINC000581947004 367973726 /nfs/dbraw/zinc/97/37/26/367973726.db2.gz JRRBJYYMZFKNMG-JSGCOSHPSA-N 3 0 239.407 1.435 20 0 BDADRP CCC(CC)(CO)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386452898 367975761 /nfs/dbraw/zinc/97/57/61/367975761.db2.gz OEQAFBOGGIXYPJ-QWHCGFSZSA-N 2 0 242.407 1.905 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)O1 ZINC000252866634 368161468 /nfs/dbraw/zinc/16/14/68/368161468.db2.gz QLQLWIOACUPGDD-XHJNMGKDSA-N 2 0 238.375 1.613 20 0 BDADRP C[NH2+]CCCN(C)C(=O)[C@@H](CC(C)(C)C)[NH2+]C ZINC000387398692 368167005 /nfs/dbraw/zinc/16/70/05/368167005.db2.gz ADJBOYLDOMQRSZ-LLVKDONJSA-N 2 0 243.395 1.079 20 0 BDADRP C[C@H]1C[C@H](C[N@H+](C)Cc2nccs2)CC[NH2+]1 ZINC000387300644 368144776 /nfs/dbraw/zinc/14/47/76/368144776.db2.gz NIJPGSMRTAFDJL-WDEREUQCSA-N 2 0 239.388 1.963 20 0 BDADRP C[N@H+](CCC[NH3+])Cc1ccc2c(c1)OCCO2 ZINC000084534570 368857079 /nfs/dbraw/zinc/85/70/79/368857079.db2.gz NFWKALUNAOXHHG-UHFFFAOYSA-N 2 0 236.315 1.238 20 0 BDADRP CC[NH+](CC)CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000086401884 368880317 /nfs/dbraw/zinc/88/03/17/368880317.db2.gz FHFMPTRGGSRJMV-VXGBXAGGSA-N 2 0 213.369 1.188 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCc2nccs2)C1 ZINC000086404127 368880467 /nfs/dbraw/zinc/88/04/67/368880467.db2.gz MNWLDOWCVVUMAQ-ZJUUUORDSA-N 2 0 225.361 1.545 20 0 BDADRP COC[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623656967 368997515 /nfs/dbraw/zinc/99/75/15/368997515.db2.gz GZCQFSISQPKPLW-VXGBXAGGSA-N 2 0 214.353 1.343 20 0 BDADRP Cc1nccnc1C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000631829101 369003758 /nfs/dbraw/zinc/00/37/58/369003758.db2.gz GYEYMLVSUORCFS-RISCZKNCSA-N 2 0 248.374 1.734 20 0 BDADRP Cn1cccc1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623656593 368993412 /nfs/dbraw/zinc/99/34/12/368993412.db2.gz XYDFNPNPXTVMRH-CYBMUJFWSA-N 2 0 235.375 1.847 20 0 BDADRP COC[C@H](CC(C)C)[NH2+]CC1CC[NH2+]CC1 ZINC000567639505 326236638 /nfs/dbraw/zinc/23/66/38/326236638.db2.gz VWKVUNXSAJOKKY-ZDUSSCGKSA-N 2 0 228.380 1.637 20 0 BDADRP C[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000567646065 326238096 /nfs/dbraw/zinc/23/80/96/326238096.db2.gz SAYXFQZCFAKYDU-DCQANWLSSA-N 2 0 226.364 1.673 20 0 BDADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]C[C@@H](C)O ZINC000459407342 203277195 /nfs/dbraw/zinc/27/71/95/203277195.db2.gz LXPSYKMCRJPCMG-MGPQQGTHSA-N 2 0 242.407 1.857 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCOCC2)C1 ZINC000459725017 203341726 /nfs/dbraw/zinc/34/17/26/203341726.db2.gz AWJXLIWBAVECNP-ZIAGYGMSSA-N 2 0 240.391 1.877 20 0 BDADRP Cn1cncc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459727731 203341752 /nfs/dbraw/zinc/34/17/52/203341752.db2.gz HGIOEYAKCFXRSF-LBPRGKRZSA-N 2 0 236.363 1.242 20 0 BDADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2CCSC2)C1 ZINC000459722418 203342182 /nfs/dbraw/zinc/34/21/82/203342182.db2.gz BHQAUPXNXXKSQU-RYUDHWBXSA-N 2 0 228.405 1.813 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+]CC2=CCCOC2)C1 ZINC000459734190 203346324 /nfs/dbraw/zinc/34/63/24/203346324.db2.gz OHIGKVBDVAGSAZ-CYBMUJFWSA-N 2 0 238.375 1.655 20 0 BDADRP CN1CCC([NH2+]CC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000459741233 203349227 /nfs/dbraw/zinc/34/92/27/203349227.db2.gz VFLSDPKMYGVKIE-CYBMUJFWSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@H]([NH2+]CCCC[NH+]1CCOCC1)C1CC1 ZINC000165259510 203383109 /nfs/dbraw/zinc/38/31/09/203383109.db2.gz GUHQSJCQEWCSHT-LBPRGKRZSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)[C@H](C)O1 ZINC000459794380 203369657 /nfs/dbraw/zinc/36/96/57/203369657.db2.gz UOBFMHDCYBNBQL-RFGFWPKPSA-N 2 0 240.391 1.874 20 0 BDADRP [NH3+]Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000295111377 181480957 /nfs/dbraw/zinc/48/09/57/181480957.db2.gz LSPJBZMCUTZVCA-CHWSQXEVSA-N 2 0 247.342 1.145 20 0 BDADRP C[C@@H](C[NH+]1CCC([NH2+]CCO)CC1)C(C)(C)C ZINC000631863393 369609231 /nfs/dbraw/zinc/60/92/31/369609231.db2.gz ZRLPIFGOHHGCDQ-LBPRGKRZSA-N 2 0 242.407 1.715 20 0 BDADRP CC[NH+](CC)CCCN1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621784837 370538195 /nfs/dbraw/zinc/53/81/95/370538195.db2.gz VTMGEUJASONDFA-KGLIPLIRSA-N 2 0 239.407 1.532 20 0 BDADRP CCn1nccc1CC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000621775055 370521307 /nfs/dbraw/zinc/52/13/07/370521307.db2.gz FCKQMOCYODDTCF-AWEZNQCLSA-N 2 0 248.374 1.131 20 0 BDADRP CCn1nccc1CC[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000621774926 370521795 /nfs/dbraw/zinc/52/17/95/370521795.db2.gz AKXITLUIAXCIIR-NEPJUHHUSA-N 2 0 236.363 1.115 20 0 BDADRP Cc1cc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)ccn1 ZINC000621775795 370522793 /nfs/dbraw/zinc/52/27/93/370522793.db2.gz YYVXXWMFBUNHSI-DGCLKSJQSA-N 2 0 219.332 1.559 20 0 BDADRP Cc1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)ccn1 ZINC000621775584 370522863 /nfs/dbraw/zinc/52/28/63/370522863.db2.gz SOLGTAVHCSBPPN-UHFFFAOYSA-N 2 0 245.370 1.966 20 0 BDADRP [NH3+][C@@]12CCC[C@H]1CN(CCOCC1CC1)C2 ZINC000621781582 370529839 /nfs/dbraw/zinc/52/98/39/370529839.db2.gz GPRYDWGVROXOEP-QWHCGFSZSA-N 2 0 224.348 1.226 20 0 BDADRP Cc1ncc(CN2C[C@@H]3CCC[C@@]3([NH3+])C2)s1 ZINC000621781364 370530259 /nfs/dbraw/zinc/53/02/59/370530259.db2.gz COJLOMPZTHYSKV-CMPLNLGQSA-N 2 0 237.372 1.765 20 0 BDADRP C[C@H]1C[C@H]([NH2+]Cc2ccc[nH]c2=O)CN1C1CC1 ZINC000623777949 371088984 /nfs/dbraw/zinc/08/89/84/371088984.db2.gz YGAMIDPUOIYWGR-JQWIXIFHSA-N 2 0 247.342 1.502 20 0 BDADRP CSCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000154746902 371156130 /nfs/dbraw/zinc/15/61/30/371156130.db2.gz FMQPTKYLCIMRRG-UHFFFAOYSA-N 2 0 228.405 1.813 20 0 BDADRP [NH3+][C@@H]1C[C@@H](N[C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000332037790 181598029 /nfs/dbraw/zinc/59/80/29/181598029.db2.gz XGXLMGXNMSKJDI-ZLKJLUDKSA-N 2 0 231.343 1.473 20 0 BDADRP COC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)C1CC1 ZINC000624121565 371322716 /nfs/dbraw/zinc/32/27/16/371322716.db2.gz YCDAOMTVHCDZAJ-GXTWGEPZSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624122903 371324781 /nfs/dbraw/zinc/32/47/81/371324781.db2.gz AVLLPKVRGDJPOX-RDBSUJKOSA-N 2 0 240.391 1.733 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H](O)C2)[C@H]2CCC[C@H]21 ZINC000624216844 371403812 /nfs/dbraw/zinc/40/38/12/371403812.db2.gz RXUAAMCHMLWNBN-XHJNMGKDSA-N 2 0 238.375 1.220 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@]2(CCOC2)C1 ZINC000163263099 371962384 /nfs/dbraw/zinc/96/23/84/371962384.db2.gz POZQOGOLHROHTF-KGLIPLIRSA-N 2 0 238.375 1.583 20 0 BDADRP C[NH2+]CCC1CC[NH+](C[C@@H]2CCO[C@@H]2C)CC1 ZINC000631824060 372602601 /nfs/dbraw/zinc/60/26/01/372602601.db2.gz VBQLKKPIVNWIDG-OCCSQVGLSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000631822042 372596574 /nfs/dbraw/zinc/59/65/74/372596574.db2.gz RCKGMUIHXMMRKK-WDEREUQCSA-N 2 0 214.353 1.328 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@H+](C)CC(C)(C)[NH3+] ZINC000631829273 372611680 /nfs/dbraw/zinc/61/16/80/372611680.db2.gz MJBWJGWBMNPGHR-VHSXEESVSA-N 2 0 200.326 1.081 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000631830534 372613277 /nfs/dbraw/zinc/61/32/77/372613277.db2.gz UZRMBZNSXJWZLB-UMSGYPCISA-N 2 0 224.348 1.225 20 0 BDADRP N[C@@H]1CCCCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000631831647 372616043 /nfs/dbraw/zinc/61/60/43/372616043.db2.gz LAUGAPAFCZCNQA-CYBMUJFWSA-N 2 0 225.380 1.189 20 0 BDADRP N[C@H]1CCCCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000631833606 372618991 /nfs/dbraw/zinc/61/89/91/372618991.db2.gz DRGJAJXFGGRDON-AWEZNQCLSA-N 2 0 239.407 1.579 20 0 BDADRP C[C@H]1C[N@H+](CCc2ccccc2)C[C@H]1C[NH3+] ZINC000631836886 372624264 /nfs/dbraw/zinc/62/42/64/372624264.db2.gz IPJVBNVXVQCSHA-GXTWGEPZSA-N 2 0 218.344 1.756 20 0 BDADRP C[C@H]1C[N@H+](CCOCc2ccccc2)C[C@H]1C[NH3+] ZINC000631836566 372624641 /nfs/dbraw/zinc/62/46/41/372624641.db2.gz BRDXYKONKARCCD-DZGCQCFKSA-N 2 0 248.370 1.730 20 0 BDADRP Cc1cnccc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631837457 372627105 /nfs/dbraw/zinc/62/71/05/372627105.db2.gz SLRPOPNZUSZDBJ-DGCLKSJQSA-N 2 0 219.332 1.417 20 0 BDADRP CO[C@H](C[NH2+][C@H](C)CC[NH+](C)C)CC(C)C ZINC000669572613 487528079 /nfs/dbraw/zinc/52/80/79/487528079.db2.gz VZRZALCWHVKFEW-OLZOCXBDSA-N 2 0 230.396 1.977 20 0 BDADRP OCC[NH2+]C1CC[NH+](CCCCCF)CC1 ZINC000631862114 372663754 /nfs/dbraw/zinc/66/37/54/372663754.db2.gz FHSHVUGEZBOPHC-UHFFFAOYSA-N 2 0 232.343 1.173 20 0 BDADRP CC(C)CC[NH+]1CCC([NH2+]CCO)CC1 ZINC000631865252 372666141 /nfs/dbraw/zinc/66/61/41/372666141.db2.gz DZGYCSAXCFVVHK-UHFFFAOYSA-N 2 0 214.353 1.079 20 0 BDADRP C(C[C@H]1CCC[NH2+]C1)[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631868180 372670727 /nfs/dbraw/zinc/67/07/27/372670727.db2.gz ZQNHSPLMNSITMJ-MCIONIFRSA-N 3 0 237.391 1.108 20 0 BDADRP c1cncc(CC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000631891034 372686993 /nfs/dbraw/zinc/68/69/93/372686993.db2.gz XLUCLDJSTFASCY-HUUCEWRRSA-N 2 0 245.370 1.698 20 0 BDADRP Cc1ccc(NC(=O)N2C[C@@H]([NH3+])C[C@@H]2C)c(C)n1 ZINC000632920231 373220017 /nfs/dbraw/zinc/22/00/17/373220017.db2.gz USDLCLVDUOGQOU-ONGXEEELSA-N 2 0 248.330 1.652 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCCOC(F)F)CC[N@@H+]1C ZINC000194032065 206001551 /nfs/dbraw/zinc/00/15/51/206001551.db2.gz OYQDYBQLKJBDKU-ZJUUUORDSA-N 2 0 236.306 1.688 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCCOC(F)F)CC[N@@H+]1C ZINC000194032054 206001850 /nfs/dbraw/zinc/00/18/50/206001850.db2.gz OYQDYBQLKJBDKU-VHSXEESVSA-N 2 0 236.306 1.688 20 0 BDADRP C[C@H]([NH3+])Cc1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000634558481 374316305 /nfs/dbraw/zinc/31/63/05/374316305.db2.gz ZJTDVOQKKPCEMG-QMMMGPOBSA-N 2 0 232.287 1.085 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424378135 206039581 /nfs/dbraw/zinc/03/95/81/206039581.db2.gz SFCSOMCDABTUED-ZDEQEGDKSA-N 2 0 208.349 1.892 20 0 BDADRP [NH3+]CCC1CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000224614211 259577015 /nfs/dbraw/zinc/57/70/15/259577015.db2.gz MCLHJECIRDUOKD-LBPRGKRZSA-N 2 0 228.405 1.800 20 0 BDADRP O=C1NCCC[C@H]1[NH2+]C[C@H]1CCCn2ccnc21 ZINC000330045749 183026426 /nfs/dbraw/zinc/02/64/26/183026426.db2.gz IKDNZHVHEQXUCY-GHMZBOCLSA-N 2 0 248.330 1.469 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@]1(CC)CC[NH2+]C1 ZINC000368566763 169002048 /nfs/dbraw/zinc/00/20/48/169002048.db2.gz OSRSVOJNOSQWEH-DGCLKSJQSA-N 2 0 241.379 1.010 20 0 BDADRP CCC[N@H+](C)CC(=O)NCC[NH+](C)[C@H](C)CC ZINC000359267307 169070702 /nfs/dbraw/zinc/07/07/02/169070702.db2.gz VEYDCPJQSFRFDR-GFCCVEGCSA-N 2 0 243.395 1.175 20 0 BDADRP CCC[N@H+](C)CC(=O)Nc1cccc(C[NH3+])c1 ZINC000037097932 169075420 /nfs/dbraw/zinc/07/54/20/169075420.db2.gz JUFCTVKCOHDPIZ-UHFFFAOYSA-N 2 0 235.331 1.426 20 0 BDADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC[C@@H](C)O)C1 ZINC000336701865 169078608 /nfs/dbraw/zinc/07/86/08/169078608.db2.gz JYTVYSSVAOGTKD-KGLIPLIRSA-N 2 0 242.407 1.811 20 0 BDADRP Oc1ccc(CC[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000129176752 183269626 /nfs/dbraw/zinc/26/96/26/183269626.db2.gz FTQXKGUHWRWZRR-ZDUSSCGKSA-N 2 0 234.343 1.666 20 0 BDADRP CCC[NH+](CCC)CCCNC1=[NH+]CCCN1 ZINC000303408399 169146901 /nfs/dbraw/zinc/14/69/01/169146901.db2.gz UFKKQNZQKIOJMB-UHFFFAOYSA-N 2 0 240.395 1.437 20 0 BDADRP Oc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000037408266 183291734 /nfs/dbraw/zinc/29/17/34/183291734.db2.gz QUFQKQGBPBKFIU-ZDUSSCGKSA-N 2 0 246.354 1.966 20 0 BDADRP CCC[NH+]1CCC(N(C)C(=O)C[C@@H](C)[NH3+])CC1 ZINC000038100785 169186764 /nfs/dbraw/zinc/18/67/64/169186764.db2.gz NARUPWXCIYHMSC-LLVKDONJSA-N 2 0 241.379 1.057 20 0 BDADRP CCC[NH+]1CCC([N@H+](C)CCC[C@H](C)O)CC1 ZINC000336722928 169187060 /nfs/dbraw/zinc/18/70/60/169187060.db2.gz TXULEIRIAFBMGL-ZDUSSCGKSA-N 2 0 242.407 1.954 20 0 BDADRP CCC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000360253792 169187090 /nfs/dbraw/zinc/18/70/90/169187090.db2.gz KLZMMJOYTHQJJZ-UHFFFAOYSA-N 2 0 240.391 1.831 20 0 BDADRP CCC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000109787913 169187155 /nfs/dbraw/zinc/18/71/55/169187155.db2.gz BRYBQWFNHIBFGH-UHFFFAOYSA-N 2 0 214.353 1.175 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@@](C)(O)C2CC2)CC1 ZINC000310100440 169188140 /nfs/dbraw/zinc/18/81/40/169188140.db2.gz BFQFHHHOWHQSCU-CQSZACIVSA-N 2 0 240.391 1.611 20 0 BDADRP CCC[NH+]1CCC([NH2+]CCOCC)CC1 ZINC000035151353 169188497 /nfs/dbraw/zinc/18/84/97/169188497.db2.gz UXZCGDRSFJMOBG-UHFFFAOYSA-N 2 0 214.353 1.487 20 0 BDADRP CCC[NH+]1CCC(N[C@H]2CC[N@H+](CC)C2)CC1 ZINC000328531740 169189796 /nfs/dbraw/zinc/18/97/96/169189796.db2.gz XTIGUEGOFHOKCS-AWEZNQCLSA-N 2 0 239.407 1.545 20 0 BDADRP CCC[NH+]1CCC(N[C@@H](C)CC[NH+](C)C)CC1 ZINC000049551868 169189866 /nfs/dbraw/zinc/18/98/66/169189866.db2.gz BXESLJQZCXZUQI-ZDUSSCGKSA-N 2 0 241.423 1.791 20 0 BDADRP CCC[NH+]1CCC(N[C@H]2CC[N@H+](C)C2)CC1 ZINC000042543907 169190012 /nfs/dbraw/zinc/19/00/12/169190012.db2.gz BOFNKVLZXSJNIQ-ZDUSSCGKSA-N 2 0 225.380 1.155 20 0 BDADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCOC2(C)C)C1 ZINC000340205446 169207347 /nfs/dbraw/zinc/20/73/47/169207347.db2.gz XLRPLHCBTBMFGD-QWHCGFSZSA-N 2 0 240.391 1.875 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cccn2C)C1 ZINC000161764969 169209012 /nfs/dbraw/zinc/20/90/12/169209012.db2.gz AOJMNDMIMQRAPE-CYBMUJFWSA-N 2 0 235.375 1.847 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000295171359 169285083 /nfs/dbraw/zinc/28/50/83/169285083.db2.gz GCTSMSRIAJYGCR-LLVKDONJSA-N 2 0 249.358 1.733 20 0 BDADRP c1ccc(CC[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000041231979 183393950 /nfs/dbraw/zinc/39/39/50/183393950.db2.gz SWSMFPHBGCLFFH-AWEZNQCLSA-N 2 0 218.344 1.818 20 0 BDADRP CC[NH+]1CCC([NH2+]CC2(CCOC)CC2)CC1 ZINC000223816757 134343158 /nfs/dbraw/zinc/34/31/58/134343158.db2.gz FTCWRZJHVOKVDA-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H](C)C[NH+](C)C ZINC000360185000 169509389 /nfs/dbraw/zinc/50/93/89/169509389.db2.gz OMBWHNRIHDACHZ-NEPJUHHUSA-N 2 0 243.395 1.219 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCSC1 ZINC000224479869 134348276 /nfs/dbraw/zinc/34/82/76/134348276.db2.gz BHQMOEHPLKPLMC-WOPDTQHZSA-N 2 0 228.405 1.669 20 0 BDADRP CCOC[C@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000308654778 383881656 /nfs/dbraw/zinc/88/16/56/383881656.db2.gz MWVHSLLLQRZLFJ-QWRGUYRKSA-N 2 0 202.342 1.519 20 0 BDADRP CC(C)N(C)C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000309328941 383880926 /nfs/dbraw/zinc/88/09/26/383880926.db2.gz HGYPIKBXHMEASL-RWMBFGLXSA-N 2 0 228.380 1.730 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CCSC1 ZINC000308643336 383872731 /nfs/dbraw/zinc/87/27/31/383872731.db2.gz FHKNBTYLAFCHPO-WDEREUQCSA-N 2 0 216.394 1.847 20 0 BDADRP COC[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC000347795100 383876026 /nfs/dbraw/zinc/87/60/26/383876026.db2.gz ZSDLWABDJDLXAN-KGLIPLIRSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@@H]1CN(C(=O)CCC(C)(C)[NH3+])CC[C@H]1[NH3+] ZINC000648124983 383884103 /nfs/dbraw/zinc/88/41/03/383884103.db2.gz HISLQXSQLUNWOE-GHMZBOCLSA-N 2 0 241.379 1.090 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H](CC)[C@@H](O)CC)CC1 ZINC000313116988 383901106 /nfs/dbraw/zinc/90/11/06/383901106.db2.gz QVNDYGQQLRRZJD-KBPBESRZSA-N 2 0 242.407 2.000 20 0 BDADRP CO[C@H](C[NH2+][C@@H](C)CC[NH+](C)C)C1CC1 ZINC000400242110 383978668 /nfs/dbraw/zinc/97/86/68/383978668.db2.gz GNHSMDTZHJCVSY-CMPLNLGQSA-N 2 0 214.353 1.341 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000643542754 383983302 /nfs/dbraw/zinc/98/33/02/383983302.db2.gz UHCSRYMSYGYQCL-YVECIDJPSA-N 2 0 226.364 1.661 20 0 BDADRP CN(CCC[N@H+](C)CC1(F)CC1)CC[NH+](C)C ZINC000558424730 383995855 /nfs/dbraw/zinc/99/58/55/383995855.db2.gz BGDDWVUUMSFSLG-UHFFFAOYSA-N 2 0 245.386 1.304 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@H](OC)C2CC2)C1 ZINC000400233463 383943890 /nfs/dbraw/zinc/94/38/90/383943890.db2.gz SXLRCJADUIIUPS-AAEUAGOBSA-N 2 0 226.364 1.343 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000224612399 383962866 /nfs/dbraw/zinc/96/28/66/383962866.db2.gz HCCVTANQQGPIPG-QWRGUYRKSA-N 2 0 228.405 1.799 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CO[C@H](C)C1 ZINC000401787174 384004241 /nfs/dbraw/zinc/00/42/41/384004241.db2.gz LMTMTZNFLNGVDF-NEPJUHHUSA-N 2 0 214.353 1.484 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000643545298 384012651 /nfs/dbraw/zinc/01/26/51/384012651.db2.gz XCRRHTDUSAMKKE-VXGBXAGGSA-N 2 0 214.353 1.269 20 0 BDADRP CO[C@H]1CCC[C@H]([NH2+]CCC2=CC[NH2+]CC2)C1 ZINC000643545618 384015051 /nfs/dbraw/zinc/01/50/51/384015051.db2.gz PBGFOGRCYKRASD-KBPBESRZSA-N 2 0 238.375 1.843 20 0 BDADRP CO[C@H](C)C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000223896298 384050842 /nfs/dbraw/zinc/05/08/42/384050842.db2.gz VBSACFWNWZXJHX-OASPWFOLSA-N 2 0 220.316 1.756 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)CO1 ZINC000647217613 384041056 /nfs/dbraw/zinc/04/10/56/384041056.db2.gz YEQMQQXOJMFATE-CMPLNLGQSA-N 2 0 231.299 1.601 20 0 BDADRP C[C@H]([NH3+])CCC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000070315446 384098801 /nfs/dbraw/zinc/09/88/01/384098801.db2.gz ONEGZWKMJUECOV-NSHDSACASA-N 2 0 249.358 1.814 20 0 BDADRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)C1CCCCC1 ZINC000039170978 384109542 /nfs/dbraw/zinc/10/95/42/384109542.db2.gz ROZHQQLQWGEQJL-ZDUSSCGKSA-N 2 0 239.407 1.450 20 0 BDADRP C[C@@H]1[C@H](C)[N@H+](C)CCN1CC[NH+]1CCCCC1 ZINC000335895731 384092511 /nfs/dbraw/zinc/09/25/11/384092511.db2.gz AUKUHRFBZLPBRW-UONOGXRCSA-N 2 0 239.407 1.497 20 0 BDADRP CCCN(CCC[NH2+]C)C1CC[NH2+]CC1 ZINC000079165323 384126669 /nfs/dbraw/zinc/12/66/69/384126669.db2.gz OIPCJTPMVKQASR-UHFFFAOYSA-N 2 0 213.369 1.060 20 0 BDADRP CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000449394016 384163019 /nfs/dbraw/zinc/16/30/19/384163019.db2.gz DLLQLQMVTVNDSK-MGPQQGTHSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCc2cn(C)cn2)CN1C1CC1 ZINC000313253431 384163989 /nfs/dbraw/zinc/16/39/89/384163989.db2.gz QKNBSZGKQNJTAH-AAEUAGOBSA-N 2 0 248.374 1.177 20 0 BDADRP CC[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000040802597 384166443 /nfs/dbraw/zinc/16/64/43/384166443.db2.gz IIOAJCGKAXNRHC-STQMWFEESA-N 2 0 249.358 1.143 20 0 BDADRP c1cncc(C[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000041214233 384183109 /nfs/dbraw/zinc/18/31/09/384183109.db2.gz CFVOOEUOPWEGST-LBPRGKRZSA-N 2 0 205.305 1.171 20 0 BDADRP [NH3+][C@@H](CC(=O)N1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000163270688 384201159 /nfs/dbraw/zinc/20/11/59/384201159.db2.gz CJXRTIFHCLHORG-STQMWFEESA-N 2 0 247.342 1.026 20 0 BDADRP COC(=O)CCN(CC[NH3+])Cc1ccccc1 ZINC000234513147 384196366 /nfs/dbraw/zinc/19/63/66/384196366.db2.gz CYVBLTYNIXEIRJ-UHFFFAOYSA-N 2 0 236.315 1.010 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCOCC1CC1 ZINC000236201386 384238122 /nfs/dbraw/zinc/23/81/22/384238122.db2.gz BOEFZLJFFKRPEG-OLZOCXBDSA-N 2 0 226.364 1.520 20 0 BDADRP Cn1cccc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000093089320 384210335 /nfs/dbraw/zinc/21/03/35/384210335.db2.gz ACTHJKXBURZNJJ-UHFFFAOYSA-N 2 0 235.375 1.799 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CN(C[C@@H]2CCC(F)(F)C2)CCO1 ZINC000302509657 384218368 /nfs/dbraw/zinc/21/83/68/384218368.db2.gz VAZDHAMNCUSYBZ-AXFHLTTASA-N 2 0 248.317 1.470 20 0 BDADRP Cn1ccc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)n1 ZINC000569555449 384229089 /nfs/dbraw/zinc/22/90/89/384229089.db2.gz QVJFYISLZAVDCA-HAQNSBGRSA-N 2 0 236.363 1.275 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCCC2)CO1 ZINC000401909516 384246569 /nfs/dbraw/zinc/24/65/69/384246569.db2.gz VWQFWHIFIKIBBB-VXGBXAGGSA-N 2 0 212.337 1.239 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000069626579 384247323 /nfs/dbraw/zinc/24/73/23/384247323.db2.gz BNGXQTPMSKCKFQ-LBPRGKRZSA-N 2 0 219.332 1.642 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)CO1 ZINC000401903754 384251201 /nfs/dbraw/zinc/25/12/01/384251201.db2.gz SFBUIIVWPOJFIH-NEPJUHHUSA-N 2 0 226.364 1.485 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CO[C@H](C)C2)[C@@H](C)C1 ZINC000566216247 384255054 /nfs/dbraw/zinc/25/50/54/384255054.db2.gz XDIOLUBRNQEHKK-RNJOBUHISA-N 2 0 226.364 1.484 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCC(F)(F)F)C[C@H]21 ZINC000228474042 384257786 /nfs/dbraw/zinc/25/77/86/384257786.db2.gz MSRUTIOSCBMISJ-OPRDCNLKSA-N 2 0 236.281 1.998 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000558726697 384264984 /nfs/dbraw/zinc/26/49/84/384264984.db2.gz GAPUTSJMFHFVNH-ZIAGYGMSSA-N 2 0 242.407 1.811 20 0 BDADRP C[NH+](C)CCC[NH2+][C@@H]1CCCOCC1 ZINC000083424499 384304313 /nfs/dbraw/zinc/30/43/13/384304313.db2.gz DUZNUGLSBHQWKH-LLVKDONJSA-N 2 0 200.326 1.097 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H](C)C[NH+](C)C ZINC000168746997 384306232 /nfs/dbraw/zinc/30/62/32/384306232.db2.gz UVAHBPOQZYWAKE-RDBSUJKOSA-N 2 0 241.423 1.837 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](CCCOC)C1 ZINC000173890219 384279288 /nfs/dbraw/zinc/27/92/88/384279288.db2.gz AYRVSWKYAIPKJR-GFCCVEGCSA-N 2 0 214.353 1.297 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CO[C@H](C)C1)C[NH+]1CCCCC1 ZINC000401915106 384279295 /nfs/dbraw/zinc/27/92/95/384279295.db2.gz AMNXAVXPFSBFDP-MCIONIFRSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCC[NH+]2CCCCC2)CO1 ZINC000401914281 384280615 /nfs/dbraw/zinc/28/06/15/384280615.db2.gz ZNEKANLIRNCGKF-STQMWFEESA-N 2 0 226.364 1.629 20 0 BDADRP C[NH+](C)CCCC[NH2+]Cc1cn2ccccc2n1 ZINC000045698529 384402036 /nfs/dbraw/zinc/40/20/36/384402036.db2.gz ZIZFQAQEGRHBLU-UHFFFAOYSA-N 2 0 246.358 1.766 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000335605268 384376311 /nfs/dbraw/zinc/37/63/11/384376311.db2.gz NRVFOPQULWCCLW-WTIISPKJSA-N 2 0 226.364 1.626 20 0 BDADRP Cc1ncc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])s1 ZINC000084220467 384377264 /nfs/dbraw/zinc/37/72/64/384377264.db2.gz DSLMSISFLFEDPL-MWLCHTKSSA-N 2 0 225.361 1.669 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1=CCCOC1 ZINC000335606858 384377475 /nfs/dbraw/zinc/37/74/75/384377475.db2.gz YWAQYMGCMNPTKH-AAEUAGOBSA-N 2 0 224.348 1.263 20 0 BDADRP CCCCOCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000084220393 384378177 /nfs/dbraw/zinc/37/81/77/384378177.db2.gz PPACKNTYMHRLSH-NWDGAFQWSA-N 2 0 214.353 1.520 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1NCc1nccs1 ZINC000084216417 384378239 /nfs/dbraw/zinc/37/82/39/384378239.db2.gz ROUSAOOXFRIRJD-UWVGGRQHSA-N 2 0 225.361 1.750 20 0 BDADRP Cc1csc(C[NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)n1 ZINC000235671458 384383788 /nfs/dbraw/zinc/38/37/88/384383788.db2.gz HIWQTFBVBBFWAG-GXSJLCMTSA-N 2 0 239.388 1.929 20 0 BDADRP CC[N@H+](C[C@H]1CCOC1)C[C@@]1(C)CC[NH2+]C1 ZINC000647513884 384427920 /nfs/dbraw/zinc/42/79/20/384427920.db2.gz NFWMBXGGVCMTOG-OLZOCXBDSA-N 2 0 226.364 1.344 20 0 BDADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC1CCOCC1 ZINC000082544844 384430972 /nfs/dbraw/zinc/43/09/72/384430972.db2.gz VGZAXBZNHVMUBS-JQWIXIFHSA-N 2 0 212.337 1.225 20 0 BDADRP COCC[NH2+]CCNc1cc[nH+]cc1C ZINC000215507674 384461210 /nfs/dbraw/zinc/46/12/10/384461210.db2.gz IRSXOYNVJFSOGU-UHFFFAOYSA-N 2 0 209.293 1.038 20 0 BDADRP C([NH2+][C@H]1CC[NH2+]C1)C1CCSCC1 ZINC000229216578 384462092 /nfs/dbraw/zinc/46/20/92/384462092.db2.gz RBPYPLLJMMNDIF-JTQLQIEISA-N 2 0 200.351 1.081 20 0 BDADRP c1csc(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000160658993 384491677 /nfs/dbraw/zinc/49/16/77/384491677.db2.gz WGGQDCRDILLHFK-SNVBAGLBSA-N 2 0 210.346 1.980 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(C)CCOCC1 ZINC000334420518 384492364 /nfs/dbraw/zinc/49/23/64/384492364.db2.gz SWVWDCPROUCGNW-QWHCGFSZSA-N 2 0 240.391 1.733 20 0 BDADRP C[N@H+](CCC1CC[NH2+]CC1)[C@@H]1CCOC1 ZINC000085438589 384525658 /nfs/dbraw/zinc/52/56/58/384525658.db2.gz SKTSKAOEYPIFMD-GFCCVEGCSA-N 2 0 212.337 1.097 20 0 BDADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](COC)C(C)C)C1 ZINC000151129863 384542037 /nfs/dbraw/zinc/54/20/37/384542037.db2.gz CWSZBOKVOFBBDZ-KBPBESRZSA-N 2 0 242.407 1.979 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000236800526 384574408 /nfs/dbraw/zinc/57/44/08/384574408.db2.gz UIXUGBHZQPARPV-LBPRGKRZSA-N 2 0 241.379 1.152 20 0 BDADRP c1cc(CCCN2CC[C@@H]3CC[NH2+][C@H]3C2)ccn1 ZINC000643065150 384585624 /nfs/dbraw/zinc/58/56/24/384585624.db2.gz YYNHSROEHLSKOU-GJZGRUSLSA-N 2 0 245.370 1.698 20 0 BDADRP COC[C@@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000643058179 384566351 /nfs/dbraw/zinc/56/63/51/384566351.db2.gz KIKJZCAZLHLRQB-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP Cc1ccc(O)c(C[NH+]2CCC(C)([NH3+])CC2)n1 ZINC000647531428 384620760 /nfs/dbraw/zinc/62/07/60/384620760.db2.gz WFVXDCGLLBYVPG-UHFFFAOYSA-N 2 0 235.331 1.409 20 0 BDADRP C[C@H]1C[C@H](C[NH+]2CCC(C)([NH3+])CC2)CC[NH2+]1 ZINC000647531013 384622875 /nfs/dbraw/zinc/62/28/75/384622875.db2.gz WDAHRSOYJDOWSC-NWDGAFQWSA-N 3 0 225.380 1.188 20 0 BDADRP CC(C)[C@H]1C[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)CCN1 ZINC000647531657 384633854 /nfs/dbraw/zinc/63/38/54/384633854.db2.gz PBVLFSZABSQFCN-MELADBBJSA-N 2 0 239.407 1.304 20 0 BDADRP COC[C@@H](C)C[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000556938315 384668445 /nfs/dbraw/zinc/66/84/45/384668445.db2.gz WNQAYJXQZNUEDV-NWDGAFQWSA-N 2 0 228.380 1.637 20 0 BDADRP CCOC[C@@H](C)[NH2+]Cc1cnc2n1CCCC2 ZINC000367437335 384643738 /nfs/dbraw/zinc/64/37/38/384643738.db2.gz IPXSUNCXFXLQMS-LLVKDONJSA-N 2 0 237.347 1.734 20 0 BDADRP C[C@@H]1C[C@H](CN2CC[C@H]3CC[NH2+][C@H]3C2)CC[NH2+]1 ZINC000647534441 384646078 /nfs/dbraw/zinc/64/60/78/384646078.db2.gz NLYSCCGWGGVITR-SYQHCUMBSA-N 2 0 237.391 1.058 20 0 BDADRP C[C@@H]1C[C@H](CN2CC[C@@H]3CC[NH2+][C@H]3C2)CC[NH2+]1 ZINC000647534440 384646967 /nfs/dbraw/zinc/64/69/67/384646967.db2.gz NLYSCCGWGGVITR-MQYQWHSLSA-N 2 0 237.391 1.058 20 0 BDADRP CC1(F)CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000258754471 384650294 /nfs/dbraw/zinc/65/02/94/384650294.db2.gz DCVGCQVYQZTNTE-UHFFFAOYSA-N 2 0 214.328 1.810 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@H]2CO[C@@H](C)C2)CC1 ZINC000335426465 384723025 /nfs/dbraw/zinc/72/30/25/384723025.db2.gz WGXTVWAALREZMZ-WCQYABFASA-N 2 0 226.364 1.626 20 0 BDADRP COc1ccccc1CC[N@H+](C)CCC[NH3+] ZINC000049819002 384690475 /nfs/dbraw/zinc/69/04/75/384690475.db2.gz KHAIKBDCMCPMFX-UHFFFAOYSA-N 2 0 222.332 1.518 20 0 BDADRP C[C@H](O)CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000309885094 384691565 /nfs/dbraw/zinc/69/15/65/384691565.db2.gz XRFCBWKWMYPXQO-RVMXOQNASA-N 2 0 226.364 1.220 20 0 BDADRP [NH3+]CCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543234 384713179 /nfs/dbraw/zinc/71/31/79/384713179.db2.gz JTMPWXFWGRHZDY-OLZOCXBDSA-N 3 0 225.380 1.047 20 0 BDADRP C[NH+](C)CCCCNC(=[NH2+])Nc1ccccc1 ZINC000052048293 384714276 /nfs/dbraw/zinc/71/42/76/384714276.db2.gz KFLSQESIJDDXMO-UHFFFAOYSA-N 2 0 234.347 1.965 20 0 BDADRP C[C@@]1(c2ccccc2)CC[N@H+](CCOCC[NH3+])C1 ZINC000357075525 384777002 /nfs/dbraw/zinc/77/70/02/384777002.db2.gz NMTUNCKOTRLASZ-OAHLLOKOSA-N 2 0 248.370 1.625 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CNC[C@@H](C)C1 ZINC000647547182 384736177 /nfs/dbraw/zinc/73/61/77/384736177.db2.gz PZALJPALUJBDJS-TUAOUCFPSA-N 2 0 213.369 1.092 20 0 BDADRP [NH3+]Cc1ccc(N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647547359 384737361 /nfs/dbraw/zinc/73/73/61/384737361.db2.gz TYHWXKFZFTUENS-GZBFAFLISA-N 2 0 245.370 1.945 20 0 BDADRP Nc1ncc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)s1 ZINC000647547173 384737994 /nfs/dbraw/zinc/73/79/94/384737994.db2.gz PWRBXNGXEABWGF-SECBINFHSA-N 2 0 240.376 1.177 20 0 BDADRP COC[C@@H](C)C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000530548358 384738626 /nfs/dbraw/zinc/73/86/26/384738626.db2.gz HSXCFKLIBGCONM-ZDUSSCGKSA-N 2 0 240.391 1.829 20 0 BDADRP CC[NH+](CC)CCOCC[NH2+]C[C@H]1C[C@H]1C ZINC000309958862 384743693 /nfs/dbraw/zinc/74/36/93/384743693.db2.gz KAJMOVIBIILAEP-CHWSQXEVSA-N 2 0 228.380 1.590 20 0 BDADRP C1[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C12CC[NH2+]CC2 ZINC000647548181 384749823 /nfs/dbraw/zinc/74/98/23/384749823.db2.gz XXAJIYIRKPVXIF-SYQHCUMBSA-N 3 0 249.402 1.106 20 0 BDADRP C1[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C12CC[NH2+]CC2 ZINC000647548180 384749853 /nfs/dbraw/zinc/74/98/53/384749853.db2.gz XXAJIYIRKPVXIF-RQJABVFESA-N 3 0 249.402 1.106 20 0 BDADRP CC(=O)Nc1ccccc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000647552820 384760959 /nfs/dbraw/zinc/76/09/59/384760959.db2.gz ZAUFGCHVXIRPSS-MNOVXSKESA-N 2 0 249.358 1.860 20 0 BDADRP CC(=O)Nc1ccccc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000647552821 384762550 /nfs/dbraw/zinc/76/25/50/384762550.db2.gz ZAUFGCHVXIRPSS-QWRGUYRKSA-N 2 0 249.358 1.860 20 0 BDADRP c1cncc(CC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000334998530 384765622 /nfs/dbraw/zinc/76/56/22/384765622.db2.gz SCARJKFPPDMFOQ-GASCZTMLSA-N 2 0 245.370 1.556 20 0 BDADRP CC[C@@H](COC)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000647553092 384765914 /nfs/dbraw/zinc/76/59/14/384765914.db2.gz ARTRLGPZSYTBTI-ZDUSSCGKSA-N 2 0 222.332 1.660 20 0 BDADRP COC(=O)CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375756851 384819347 /nfs/dbraw/zinc/81/93/47/384819347.db2.gz JVQWKDBBSWHLEJ-FOSCPWQOSA-N 2 0 240.347 1.107 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)O1 ZINC000398160505 384823256 /nfs/dbraw/zinc/82/32/56/384823256.db2.gz VVIVFYSOCAKMKF-XVIXHAIJSA-N 2 0 240.391 1.872 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C[C@H]1CC[C@H](C)O1 ZINC000398179710 384830857 /nfs/dbraw/zinc/83/08/57/384830857.db2.gz SBKFKQLHCZBTJM-MROQNXINSA-N 2 0 226.364 1.674 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)C1(C)C ZINC000310100020 384831243 /nfs/dbraw/zinc/83/12/43/384831243.db2.gz BBLJPVKBPHAGGU-FRRDWIJNSA-N 2 0 242.407 1.977 20 0 BDADRP C[NH2+]CCN[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000423247027 384783387 /nfs/dbraw/zinc/78/33/87/384783387.db2.gz OPVCMQYTZPNKEW-GJZGRUSLSA-N 2 0 247.386 1.631 20 0 BDADRP CC[C@H](CCO)[NH2+][C@H](C)CCCC[NH3+] ZINC000308540720 384793973 /nfs/dbraw/zinc/79/39/73/384793973.db2.gz NWBDLFWQPUCKOJ-GHMZBOCLSA-N 2 0 202.342 1.255 20 0 BDADRP Cn1ccc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000126373146 384795051 /nfs/dbraw/zinc/79/50/51/384795051.db2.gz SIAFUAWUGSZIKD-UONOGXRCSA-N 2 0 235.375 1.988 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)O1 ZINC000398121634 384810638 /nfs/dbraw/zinc/81/06/38/384810638.db2.gz RCWGGKXLOSIQRL-LPWJVIDDSA-N 2 0 226.364 1.532 20 0 BDADRP CCCCC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000077339232 384872459 /nfs/dbraw/zinc/87/24/59/384872459.db2.gz KATHWTALTUWKNT-ZDUSSCGKSA-N 2 0 225.380 1.156 20 0 BDADRP COC[C@]1(C[NH2+][C@H]2CC[C@@H]2C(C)C)CCC[NH2+]1 ZINC000423410266 384857094 /nfs/dbraw/zinc/85/70/94/384857094.db2.gz CXGAIQPDWPYKSN-HZSPNIEDSA-N 2 0 240.391 1.779 20 0 BDADRP COC[C@]1(C[NH2+][C@@H]2CC[C@@H]2C2CC2)CCC[NH2+]1 ZINC000423414729 384859114 /nfs/dbraw/zinc/85/91/14/384859114.db2.gz NSCSREZGYRYKPG-MGPQQGTHSA-N 2 0 238.375 1.533 20 0 BDADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CO[C@@H](C)C1 ZINC000647200902 384892408 /nfs/dbraw/zinc/89/24/08/384892408.db2.gz MIKXSZJMLOTYQU-QWHCGFSZSA-N 2 0 244.379 1.112 20 0 BDADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CO[C@H](C)C1 ZINC000647200901 384893054 /nfs/dbraw/zinc/89/30/54/384893054.db2.gz MIKXSZJMLOTYQU-OLZOCXBDSA-N 2 0 244.379 1.112 20 0 BDADRP C[N@H+](CCCC(C)(C)C)C[C@H](O)C[NH3+] ZINC000308668455 384908492 /nfs/dbraw/zinc/90/84/92/384908492.db2.gz UKDWDXAQWUKQIU-SNVBAGLBSA-N 2 0 202.342 1.064 20 0 BDADRP C[C@@H](O)C[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000644522452 384925880 /nfs/dbraw/zinc/92/58/80/384925880.db2.gz ZPMVTKLYRGHUDA-CHWSQXEVSA-N 2 0 228.380 1.611 20 0 BDADRP COC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000401143507 533096155 /nfs/dbraw/zinc/09/61/55/533096155.db2.gz NHNXRRKYCVNFFY-SYQHCUMBSA-N 2 0 238.375 1.389 20 0 BDADRP CC(C)([NH3+])CCC(=O)Nc1cccc(C[NH3+])c1 ZINC000647607420 384934831 /nfs/dbraw/zinc/93/48/31/384934831.db2.gz OQIIASFJFDXMRT-UHFFFAOYSA-N 2 0 235.331 1.601 20 0 BDADRP CCN1C[C@H]([NH2+]CCC[C@@H]2CCOC2)[C@@H](C)C1 ZINC000449685126 384938421 /nfs/dbraw/zinc/93/84/21/384938421.db2.gz RLYWBSVXBNZAAG-MJBXVCDLSA-N 2 0 240.391 1.733 20 0 BDADRP CN1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400989534 384960625 /nfs/dbraw/zinc/96/06/25/384960625.db2.gz XSTVEHIHMGUNOC-AAVRWANBSA-N 2 0 237.391 1.058 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]Cc1ccccc1OC(F)F ZINC000310383646 385021475 /nfs/dbraw/zinc/02/14/75/385021475.db2.gz HHWXAIDTWUWNLW-SECBINFHSA-N 2 0 244.285 1.972 20 0 BDADRP Cc1ccc2c(c1)[C@@H]([NH2+]CCC[NH3+])CC2 ZINC000129362690 384998297 /nfs/dbraw/zinc/99/82/97/384998297.db2.gz BQNUTGBRWQQFPI-ZDUSSCGKSA-N 2 0 204.317 1.921 20 0 BDADRP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423494608 385002257 /nfs/dbraw/zinc/00/22/57/385002257.db2.gz SIOZZULIONNINA-AGIUHOORSA-N 2 0 226.364 1.389 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000226399640 385008588 /nfs/dbraw/zinc/00/85/88/385008588.db2.gz JFMWSKZWXFSPBK-MFKMUULPSA-N 2 0 241.379 1.103 20 0 BDADRP CC[C@@H](CO)[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000086494262 385019529 /nfs/dbraw/zinc/01/95/29/385019529.db2.gz HNZZFHSYVRSVSB-QNWHQSFQSA-N 2 0 226.364 1.268 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)[C@H](C)[NH+](C)C ZINC000644657113 385064629 /nfs/dbraw/zinc/06/46/29/385064629.db2.gz QCOHQVVKDPGAHE-RYUDHWBXSA-N 2 0 243.395 1.173 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)O)CC[N@@H+]1C ZINC000158087180 385104409 /nfs/dbraw/zinc/10/44/09/385104409.db2.gz IFUVAVRBBOCCNA-MNOVXSKESA-N 2 0 214.353 1.220 20 0 BDADRP C[N@@H+]1CCCC[C@H]1CC[NH2+][C@H]1COCC1(C)C ZINC000313026675 385197411 /nfs/dbraw/zinc/19/74/11/385197411.db2.gz IGENAJSBJGGYRY-STQMWFEESA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCCCO1 ZINC000252710691 385199668 /nfs/dbraw/zinc/19/96/68/385199668.db2.gz HKAYVYSDAUZCST-UPJWGTAASA-N 2 0 226.364 1.485 20 0 BDADRP CCN1CCC[C@H]1C[NH2+]C[C@](C)(CC)OC ZINC000319108562 385154422 /nfs/dbraw/zinc/15/44/22/385154422.db2.gz YPEDJVSWVWVICJ-STQMWFEESA-N 2 0 228.380 1.875 20 0 BDADRP c1cc(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)n[nH]1 ZINC000647480683 385169404 /nfs/dbraw/zinc/16/94/04/385169404.db2.gz XHNAPRILTWCXKV-AAEUAGOBSA-N 2 0 234.347 1.374 20 0 BDADRP C(C[N@H+](C1CC1)C1CC[NH2+]CC1)[C@H]1CCOC1 ZINC000647482692 385211852 /nfs/dbraw/zinc/21/18/52/385211852.db2.gz YQXFEIDDGZWMDL-LBPRGKRZSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@H]([NH2+]CCC[NH+]1CCCC1)C1CCOCC1 ZINC000178414937 385249547 /nfs/dbraw/zinc/24/95/47/385249547.db2.gz BLWAEIPAXDRRAJ-ZDUSSCGKSA-N 2 0 240.391 1.877 20 0 BDADRP Cc1cc(CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)nn1C ZINC000647487201 385250705 /nfs/dbraw/zinc/25/07/05/385250705.db2.gz HYNNNAGVDYGRCU-ONXXMXGDSA-N 2 0 248.374 1.443 20 0 BDADRP CN(C[C@]1(C)CC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000647487258 385250934 /nfs/dbraw/zinc/25/09/34/385250934.db2.gz QVWUYOOSTXZUNW-QNMSZWNNSA-N 3 0 237.391 1.201 20 0 BDADRP OCCCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000157902936 385304389 /nfs/dbraw/zinc/30/43/89/385304389.db2.gz QXHPLKBNBOBDOP-OLZOCXBDSA-N 2 0 226.364 1.365 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H](O)CC(C)(C)C)CC[N@@H+]1C ZINC000178429254 385259002 /nfs/dbraw/zinc/25/90/02/385259002.db2.gz IPCUVCUCRHZGBG-JHJVBQTASA-N 2 0 242.407 1.856 20 0 BDADRP C([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCSC1 ZINC000300231834 385290652 /nfs/dbraw/zinc/29/06/52/385290652.db2.gz JBZZXYQOZYHBCX-VXGBXAGGSA-N 2 0 240.416 1.813 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)[C@H]1CCOC1)C[NH+](C)C ZINC000308925293 385297742 /nfs/dbraw/zinc/29/77/42/385297742.db2.gz PYIILOZQSVLNAV-WOPDTQHZSA-N 2 0 214.353 1.199 20 0 BDADRP Cc1nccn1CC[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000308995559 385337453 /nfs/dbraw/zinc/33/74/53/385337453.db2.gz PKKIRYLIWSNUPT-JFGNBEQYSA-N 2 0 207.321 1.826 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCCN1C)C1CC[NH+](C)CC1 ZINC000154648113 385344852 /nfs/dbraw/zinc/34/48/52/385344852.db2.gz FEOZJDKLGFAQGH-TZMCWYRMSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@@H](C(=O)NCC[NH+](C)C)[C@H]([NH3+])c1ccccc1 ZINC000131610366 385347552 /nfs/dbraw/zinc/34/75/52/385347552.db2.gz RVFSRQBZHOMVIR-YPMHNXCESA-N 2 0 249.358 1.000 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000644735035 385351684 /nfs/dbraw/zinc/35/16/84/385351684.db2.gz QLSJSCSRPQSZQF-UONOGXRCSA-N 2 0 239.407 1.354 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCOC(F)(F)F)CC[N@@H+]1C ZINC000158226048 385370161 /nfs/dbraw/zinc/37/01/61/385370161.db2.gz YZMAXNISVMVEHE-BDAKNGLRSA-N 2 0 240.269 1.595 20 0 BDADRP C[NH+]1CCC[C@@H]1CCN1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000644736020 385370852 /nfs/dbraw/zinc/37/08/52/385370852.db2.gz HQXNIVBQIYDOBU-BFHYXJOUSA-N 2 0 237.391 1.107 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@H](CO)C(C)C ZINC000309036627 385374085 /nfs/dbraw/zinc/37/40/85/385374085.db2.gz IMROLRGHTGOAFA-GFCCVEGCSA-N 2 0 216.369 1.325 20 0 BDADRP COC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000180195543 385384789 /nfs/dbraw/zinc/38/47/89/385384789.db2.gz VCEHBRZGTIQUMB-CHWSQXEVSA-N 2 0 238.375 1.772 20 0 BDADRP COC1(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)CCC1 ZINC000180192431 385385671 /nfs/dbraw/zinc/38/56/71/385385671.db2.gz DRMIWBRHKDNQHF-FRRDWIJNSA-N 2 0 240.391 1.874 20 0 BDADRP C[N@H+]1C[C@H]2[C@@H](CCN2CC[NH+]2CCCCC2)C1 ZINC000644736608 385388151 /nfs/dbraw/zinc/38/81/51/385388151.db2.gz OHVOVXHMZAVVEM-KBPBESRZSA-N 2 0 237.391 1.108 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC000405249346 385399142 /nfs/dbraw/zinc/39/91/42/385399142.db2.gz IZBUJABJPKLUGP-QJPTWQEYSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2=CC[N@H+](C)CC2)[C@H]1C ZINC000309093025 385414358 /nfs/dbraw/zinc/41/43/58/385414358.db2.gz BWFGOBDUUKZOTJ-MDZLAQPJSA-N 2 0 208.349 1.882 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CC[NH2+]CC1(C)C ZINC000647500503 385447204 /nfs/dbraw/zinc/44/72/04/385447204.db2.gz YUYSGLSPQJDOTA-LLVKDONJSA-N 2 0 213.369 1.044 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC000161712102 385481134 /nfs/dbraw/zinc/48/11/34/385481134.db2.gz VULVPFOTTLWLPB-PWSUYJOCSA-N 2 0 205.305 1.251 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000183278266 385515430 /nfs/dbraw/zinc/51/54/30/385515430.db2.gz RJEBIOWCSMYDON-OLZOCXBDSA-N 2 0 228.380 1.875 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)[C@@H]1C ZINC000309358992 385553079 /nfs/dbraw/zinc/55/30/79/385553079.db2.gz AEDLDXPHMFLCEJ-NDBYEHHHSA-N 2 0 226.364 1.077 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000309425243 385577366 /nfs/dbraw/zinc/57/73/66/385577366.db2.gz XATZEJYOWFJXLL-RAIGVLPGSA-N 2 0 226.364 1.661 20 0 BDADRP COC1CCC([NH2+]CC[C@H]2CCC[NH2+]C2)CC1 ZINC000414847946 385603748 /nfs/dbraw/zinc/60/37/48/385603748.db2.gz WLZXYWBATMNAOV-IYXRBSQSSA-N 2 0 240.391 1.923 20 0 BDADRP C(C[C@H]1CCC[NH2+]C1)[NH2+][C@H]1CCCSC1 ZINC000414847995 385606061 /nfs/dbraw/zinc/60/60/61/385606061.db2.gz WNYRFBLCQDNFLO-NEPJUHHUSA-N 2 0 228.405 1.861 20 0 BDADRP FCCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000306721009 385614053 /nfs/dbraw/zinc/61/40/53/385614053.db2.gz DDKJKGNXXVNQCU-PHIMTYICSA-N 2 0 200.301 1.277 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](CC2(OC)CCCC2)C1 ZINC000309485450 385614199 /nfs/dbraw/zinc/61/41/99/385614199.db2.gz GGRYRGITLKAINW-LBPRGKRZSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@H]([NH2+][C@H]1CCCSC1)[C@@H]1CCC[NH2+]C1 ZINC000414849110 385617503 /nfs/dbraw/zinc/61/75/03/385617503.db2.gz HDDLHIHCJWVYKQ-TUAOUCFPSA-N 2 0 228.405 1.860 20 0 BDADRP COC(=O)C1CCC([NH2+]C[C@@H]2CCC[NH2+]2)CC1 ZINC000414849179 385624758 /nfs/dbraw/zinc/62/47/58/385624758.db2.gz QZVCPGLSCPGAPK-MCIGGMRASA-N 2 0 240.347 1.060 20 0 BDADRP C(C[C@H]1CCC[NH2+]C1)[NH2+][C@@H]1CCCSC1 ZINC000414848003 385608227 /nfs/dbraw/zinc/60/82/27/385608227.db2.gz WNYRFBLCQDNFLO-VXGBXAGGSA-N 2 0 228.405 1.861 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+]CC[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000414848515 385609952 /nfs/dbraw/zinc/60/99/52/385609952.db2.gz XCKHBAXQKWJPKJ-RDBSUJKOSA-N 3 0 239.407 1.354 20 0 BDADRP CCCC[N@H+](CCCO)CCn1ccnc1 ZINC000182137007 385638626 /nfs/dbraw/zinc/63/86/26/385638626.db2.gz MXTPQLMLKCBOHN-UHFFFAOYSA-N 2 0 225.336 1.368 20 0 BDADRP Cc1ncccc1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414850749 385640963 /nfs/dbraw/zinc/64/09/63/385640963.db2.gz IIPCWOHIMIEARL-CHWSQXEVSA-N 2 0 233.359 1.868 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)[C@H]1C ZINC000309509193 385643916 /nfs/dbraw/zinc/64/39/16/385643916.db2.gz WTUGMAIZUCCEPY-WOPDTQHZSA-N 2 0 226.364 1.077 20 0 BDADRP C[N@H+](C[C@@H]1CCSC1)C1CC([NH3+])C1 ZINC000307223213 385666106 /nfs/dbraw/zinc/66/61/06/385666106.db2.gz RMIZAIDTXJWESO-IDKOKCKLSA-N 2 0 200.351 1.161 20 0 BDADRP CN(CC[NH+](C)C)c1cc(NCC2CC2)ncn1 ZINC000270197516 385682291 /nfs/dbraw/zinc/68/22/91/385682291.db2.gz DYMJZFXQIIAXMJ-UHFFFAOYSA-N 2 0 249.362 1.296 20 0 BDADRP Cc1cc(CN(C)CCn2ccnc2C)no1 ZINC000270549338 385717384 /nfs/dbraw/zinc/71/73/84/385717384.db2.gz APNQGXJWRFBCTI-UHFFFAOYSA-N 2 0 234.303 1.620 20 0 BDADRP CCN(CCC[NH+](C)C)C(=O)C[NH+](CC)CC ZINC000337548420 385706159 /nfs/dbraw/zinc/70/61/59/385706159.db2.gz DZMOQQIITHQXKF-UHFFFAOYSA-N 2 0 243.395 1.128 20 0 BDADRP CC[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)C(C)C ZINC000336740423 385714065 /nfs/dbraw/zinc/71/40/65/385714065.db2.gz QGZHIJKSPBIZIT-GFCCVEGCSA-N 2 0 228.380 1.467 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000414856488 385714857 /nfs/dbraw/zinc/71/48/57/385714857.db2.gz ALUHQBLHWUDWMW-VXGBXAGGSA-N 2 0 214.353 1.389 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000336735812 385716841 /nfs/dbraw/zinc/71/68/41/385716841.db2.gz ONIVPWQLTZZLMI-GRYCIOLGSA-N 2 0 214.353 1.077 20 0 BDADRP CCN(CC)CC[NH2+][C@@H](C)CCC[NH3+] ZINC000336683707 385668618 /nfs/dbraw/zinc/66/86/18/385668618.db2.gz JIOATZRVIWGIHN-NSHDSACASA-N 2 0 201.358 1.045 20 0 BDADRP COCC1([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647791733 385670139 /nfs/dbraw/zinc/67/01/39/385670139.db2.gz LLSYSJCOVDETPF-IJLUTSLNSA-N 2 0 224.348 1.143 20 0 BDADRP OCC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000647793914 385731927 /nfs/dbraw/zinc/73/19/27/385731927.db2.gz LXOHRUBRKRYMOM-JHJVBQTASA-N 2 0 238.375 1.127 20 0 BDADRP OCC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCC1 ZINC000647793915 385732002 /nfs/dbraw/zinc/73/20/02/385732002.db2.gz LXOHRUBRKRYMOM-RWMBFGLXSA-N 2 0 238.375 1.127 20 0 BDADRP C[NH2+]CCC[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000414857779 385732610 /nfs/dbraw/zinc/73/26/10/385732610.db2.gz FZGOFKUAFOYIBO-LLVKDONJSA-N 2 0 224.323 1.956 20 0 BDADRP COC[C@H](CC(C)C)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414859843 385738112 /nfs/dbraw/zinc/73/81/12/385738112.db2.gz UTJPCQFQCPCAQN-STQMWFEESA-N 2 0 228.380 1.637 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCOCC[NH+](C)C)[C@H]1C ZINC000336694841 385742082 /nfs/dbraw/zinc/74/20/82/385742082.db2.gz NPHZPYOTZJYICL-GRYCIOLGSA-N 2 0 214.353 1.199 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@](C)(O)C2CC2)CN1C1CC1 ZINC000336693978 385742245 /nfs/dbraw/zinc/74/22/45/385742245.db2.gz ICFHWPWITUKGIC-SCDSUCTJSA-N 2 0 238.375 1.362 20 0 BDADRP CCCC[C@H](COC)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414860877 385742596 /nfs/dbraw/zinc/74/25/96/385742596.db2.gz WCPICYDQPSNBER-CHWSQXEVSA-N 2 0 228.380 1.781 20 0 BDADRP C[NH2+]CCCNCc1cn(C)nc1C(C)(C)C ZINC000414860101 385745710 /nfs/dbraw/zinc/74/57/10/385745710.db2.gz OEMQYMFISMEODO-UHFFFAOYSA-N 2 0 238.379 1.417 20 0 BDADRP CC[C@H]1C[C@H](C[NH2+]CCC[NH2+]C)CCO1 ZINC000414861649 385752823 /nfs/dbraw/zinc/75/28/23/385752823.db2.gz SPXBEOQWERFWER-NEPJUHHUSA-N 2 0 214.353 1.391 20 0 BDADRP CCCC(CCC)[NH2+]CCN1CC[NH2+]CC1 ZINC000414863298 385764346 /nfs/dbraw/zinc/76/43/46/385764346.db2.gz IIDIZBOMCKVNNS-UHFFFAOYSA-N 2 0 227.396 1.450 20 0 BDADRP C[NH2+]Cc1cccc(NC[C@H]2CCC[NH2+]C2)c1 ZINC000414864289 385766205 /nfs/dbraw/zinc/76/62/05/385766205.db2.gz KCBQCTYBYFLHLP-ZDUSSCGKSA-N 2 0 233.359 1.818 20 0 BDADRP C[C@@H](C[NH3+])N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000414944355 385777449 /nfs/dbraw/zinc/77/74/49/385777449.db2.gz NSMTXEWTVCRCMK-YDHLFZDLSA-N 2 0 247.386 1.444 20 0 BDADRP CC[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+]C[C@@H]2C)[C@H](C)C1 ZINC000414944717 385784959 /nfs/dbraw/zinc/78/49/59/385784959.db2.gz QGVHYMULYHWNDS-DGAVXFQQSA-N 2 0 239.407 1.304 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C1CCSCC1 ZINC000336691348 385724272 /nfs/dbraw/zinc/72/42/72/385724272.db2.gz PVVZGYZCFSLMAJ-JTQLQIEISA-N 2 0 216.394 1.989 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C1CCSCC1 ZINC000336691349 385724831 /nfs/dbraw/zinc/72/48/31/385724831.db2.gz PVVZGYZCFSLMAJ-SNVBAGLBSA-N 2 0 216.394 1.989 20 0 BDADRP Cc1ccc(CCC[NH2+][C@H]2CC[NH2+]C[C@H]2C)cn1 ZINC000414946344 385798061 /nfs/dbraw/zinc/79/80/61/385798061.db2.gz TVKDOWBRXDIPJN-DOMZBBRYSA-N 2 0 247.386 1.910 20 0 BDADRP CC(C)C[C@@H]([NH3+])CNC1(C)CC[NH2+]CC1 ZINC000414947867 385806625 /nfs/dbraw/zinc/80/66/25/385806625.db2.gz XHGBAWGQALQLKP-LLVKDONJSA-N 2 0 213.369 1.092 20 0 BDADRP C[C@@H](C[NH2+][C@H](C)C1C[NH2+]C1)CC(F)F ZINC000647800724 385809542 /nfs/dbraw/zinc/80/95/42/385809542.db2.gz JOGRKBWZJBKVSL-HTQZYQBOSA-N 2 0 206.280 1.475 20 0 BDADRP C[C@@H](CC1CCOCC1)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414946688 385809676 /nfs/dbraw/zinc/80/96/76/385809676.db2.gz JTHCPTBZMNYKIP-MBNYWOFBSA-N 2 0 240.391 1.922 20 0 BDADRP CCC[C@H](C)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000336714241 385810358 /nfs/dbraw/zinc/81/03/58/385810358.db2.gz WAFNYOAZQIGPJA-XQQFMLRXSA-N 2 0 210.365 1.964 20 0 BDADRP CCC[NH2+]CC[NH2+]C1CCC(C[NH3+])CC1 ZINC000414868171 385811542 /nfs/dbraw/zinc/81/15/42/385811542.db2.gz JNWJCSXBVIYVAI-UHFFFAOYSA-N 3 0 213.369 1.093 20 0 BDADRP Cc1cnc(CN[C@H](C)C[N@H+](C)C(C)C)n1C ZINC000353150142 385813052 /nfs/dbraw/zinc/81/30/52/385813052.db2.gz IPUNSGDHBFFZNU-LLVKDONJSA-N 2 0 238.379 1.547 20 0 BDADRP CCOCC[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397307854 385817094 /nfs/dbraw/zinc/81/70/94/385817094.db2.gz HTLFHJKDZMOTFV-SRVKXCTJSA-N 2 0 214.353 1.328 20 0 BDADRP C[C@H]1CCCC[C@@H]1C[NH2+]CCN1CC[NH2+]CC1 ZINC000414869559 385836135 /nfs/dbraw/zinc/83/61/35/385836135.db2.gz RFIDAYKAWVXBPA-UONOGXRCSA-N 2 0 239.407 1.308 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CC1CCC(F)CC1 ZINC000647804397 385841375 /nfs/dbraw/zinc/84/13/75/385841375.db2.gz PNOHWECAJGOGRD-WXRRBKDZSA-N 2 0 246.370 1.858 20 0 BDADRP C[C@H](Cn1ccnc1)Nc1ncnc2[nH]ccc21 ZINC000271670435 385843735 /nfs/dbraw/zinc/84/37/35/385843735.db2.gz WYXMKCRJPOCMRE-SECBINFHSA-N 2 0 242.286 1.655 20 0 BDADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)CC[NH3+])cc1 ZINC000262458173 385849749 /nfs/dbraw/zinc/84/97/49/385849749.db2.gz URNDAWUTMPWICN-CYBMUJFWSA-N 2 0 249.358 1.275 20 0 BDADRP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CCCO1 ZINC000647798129 385792586 /nfs/dbraw/zinc/79/25/86/385792586.db2.gz MEHBKEOJUAULSB-UMSGYPCISA-N 2 0 224.348 1.143 20 0 BDADRP CO[C@H](C)CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000336656793 385794062 /nfs/dbraw/zinc/79/40/62/385794062.db2.gz MCIMHNARHSTRLR-XJFOESAGSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H](F)CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647798244 385794534 /nfs/dbraw/zinc/79/45/34/385794534.db2.gz NNEMGWJDQKWUIR-NNYUYHANSA-N 2 0 214.328 1.712 20 0 BDADRP [NH3+]C1(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CCC1 ZINC000414874657 385887551 /nfs/dbraw/zinc/88/75/51/385887551.db2.gz IRGAAONMTRSFRC-UTUOFQBUSA-N 2 0 236.359 1.415 20 0 BDADRP CC[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+][C@@H](C)C2)[C@H](C)C1 ZINC000414961979 385890234 /nfs/dbraw/zinc/89/02/34/385890234.db2.gz ZLEPSDXVELHJAQ-RQJABVFESA-N 2 0 239.407 1.447 20 0 BDADRP COC[C@@H](C)[NH2+]CCC1CC[NH+](C)CC1 ZINC000122143557 385890607 /nfs/dbraw/zinc/89/06/07/385890607.db2.gz PWMUHCSWUSAPFC-LLVKDONJSA-N 2 0 214.353 1.343 20 0 BDADRP C[C@@H](CC[NH3+])[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000414874905 385890603 /nfs/dbraw/zinc/89/06/03/385890603.db2.gz BHMWVIKNLSEUAW-JTQLQIEISA-N 2 0 224.352 1.465 20 0 BDADRP CC[NH+]1CCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000647844524 385895586 /nfs/dbraw/zinc/89/55/86/385895586.db2.gz IIDJXKLEDJYSNO-UHFFFAOYSA-N 2 0 230.315 1.705 20 0 BDADRP C[N@H+](CCC[NH3+])CCCCC(F)(F)F ZINC000647847554 385899088 /nfs/dbraw/zinc/89/90/88/385899088.db2.gz UDVZKDAPDKCGAU-UHFFFAOYSA-N 2 0 212.259 2.000 20 0 BDADRP CC1(C)CNCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000647852232 385902233 /nfs/dbraw/zinc/90/22/33/385902233.db2.gz OQJMBCVRELYNSG-GFCCVEGCSA-N 2 0 225.380 1.060 20 0 BDADRP COC[C@@]1(C[NH2+]CCC(C)(C)C)CCC[NH2+]1 ZINC000414963210 385904457 /nfs/dbraw/zinc/90/44/57/385904457.db2.gz WRUUSZSXAWQYEP-ZDUSSCGKSA-N 2 0 228.380 1.781 20 0 BDADRP CC(C)n1ccc(C[C@@H](C)[NH2+]C[C@H](C)C[NH3+])n1 ZINC000414876553 385909362 /nfs/dbraw/zinc/90/93/62/385909362.db2.gz LNUPJGBKGLBTKW-VXGBXAGGSA-N 2 0 238.379 1.579 20 0 BDADRP COCC[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000122353986 385912683 /nfs/dbraw/zinc/91/26/83/385912683.db2.gz GCYQIDRSUDGKFT-AXFHLTTASA-N 2 0 200.326 1.081 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000262575478 385862298 /nfs/dbraw/zinc/86/22/98/385862298.db2.gz JDYUJGKJNTURTQ-TZMCWYRMSA-N 2 0 249.358 1.320 20 0 BDADRP C([C@H]1CCC[NH2+]C1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000250812955 385927818 /nfs/dbraw/zinc/92/78/18/385927818.db2.gz DQBYNFUWAIGCSJ-KBPBESRZSA-N 2 0 237.391 1.156 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000250860471 385928054 /nfs/dbraw/zinc/92/80/54/385928054.db2.gz SKEVRIHLDJNTOL-MJBXVCDLSA-N 2 0 246.354 1.707 20 0 BDADRP C[NH2+][C@H]1CCCN(CCCC2CC[NH2+]CC2)C1 ZINC000647830736 385873103 /nfs/dbraw/zinc/87/31/03/385873103.db2.gz PTDMFLMOAKREFZ-AWEZNQCLSA-N 2 0 239.407 1.450 20 0 BDADRP CC(C)([NH3+])CCC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000647829272 385877965 /nfs/dbraw/zinc/87/79/65/385877965.db2.gz ZHQXILNPCIZTKC-GHMZBOCLSA-N 2 0 241.379 1.138 20 0 BDADRP [NH3+]C1CCC([NH2+][C@@H]2CC[C@@H](F)C2)CC1 ZINC000335018987 385978191 /nfs/dbraw/zinc/97/81/91/385978191.db2.gz YUNQZCVYNLVJHN-AGVGLQIMSA-N 2 0 200.301 1.737 20 0 BDADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000335019580 385978198 /nfs/dbraw/zinc/97/81/98/385978198.db2.gz QQGXLVOFWDMUNC-YPMHNXCESA-N 2 0 248.374 1.387 20 0 BDADRP CC[NH+]1CCC(N[C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000335018393 385978845 /nfs/dbraw/zinc/97/88/45/385978845.db2.gz HHVDHACFOSYRIH-ZIAGYGMSSA-N 3 0 239.407 1.720 20 0 BDADRP Cc1cccc(C[NH2+]C[C@H]2CNCCN2C)c1C ZINC000414972307 385985016 /nfs/dbraw/zinc/98/50/16/385985016.db2.gz XNOZGIOKSVFGNP-OAHLLOKOSA-N 2 0 247.386 1.297 20 0 BDADRP C[C@H](C[NH3+])CN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000414878165 385933326 /nfs/dbraw/zinc/93/33/26/385933326.db2.gz NXTQKIURUHKRDL-AGIUHOORSA-N 2 0 227.396 1.482 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000414060131 385936133 /nfs/dbraw/zinc/93/61/33/385936133.db2.gz JBKLKXWHORIXLA-UPJWGTAASA-N 2 0 228.380 1.589 20 0 BDADRP Cc1nc2ccccn2c1C[NH2+][C@@H](C)CC[NH3+] ZINC000414878324 385938011 /nfs/dbraw/zinc/93/80/11/385938011.db2.gz HCMPFZYXFKNKAE-JTQLQIEISA-N 2 0 232.331 1.470 20 0 BDADRP CC1([NH3+])CCN(CCC[NH+]2CCCCC2)CC1 ZINC000647924102 385940445 /nfs/dbraw/zinc/94/04/45/385940445.db2.gz FTLFONXAMLZSEP-UHFFFAOYSA-N 2 0 239.407 1.676 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccoc1 ZINC000335046081 385942142 /nfs/dbraw/zinc/94/21/42/385942142.db2.gz ZLVBXAYNKZGRLC-PWSUYJOCSA-N 2 0 208.305 1.757 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC000338280143 385944763 /nfs/dbraw/zinc/94/47/63/385944763.db2.gz KFQFHISQMBZVAL-NWDGAFQWSA-N 2 0 214.353 1.031 20 0 BDADRP CC1([NH3+])CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000647924264 385949055 /nfs/dbraw/zinc/94/90/55/385949055.db2.gz SSNLHRXRJZPAKK-LLVKDONJSA-N 2 0 212.337 1.369 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1[C@@H](C)CCC[C@H]1CO ZINC000338281965 385949088 /nfs/dbraw/zinc/94/90/88/385949088.db2.gz NWXWLUBBDCGSDJ-KBPBESRZSA-N 2 0 242.407 1.954 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1[C@H](C)CCC[C@@H]1CO ZINC000338281968 385950027 /nfs/dbraw/zinc/95/00/27/385950027.db2.gz NWXWLUBBDCGSDJ-ZIAGYGMSSA-N 2 0 242.407 1.954 20 0 BDADRP COc1ccc(C[NH2+][C@H](C)CC[NH3+])cc1O ZINC000414879335 385951403 /nfs/dbraw/zinc/95/14/03/385951403.db2.gz ILEKHCHXEZQBLP-SECBINFHSA-N 2 0 224.304 1.228 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CCCC[C@H]1[C@@H](C)O ZINC000338304733 385954085 /nfs/dbraw/zinc/95/40/85/385954085.db2.gz HKSZJMHPXDWCAF-KGLIPLIRSA-N 2 0 242.407 1.954 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](CO)C2)C1 ZINC000304644944 385954554 /nfs/dbraw/zinc/95/45/54/385954554.db2.gz SVIIFRUMPSWDNO-LOWDOPEQSA-N 2 0 226.364 1.397 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000251240662 385959965 /nfs/dbraw/zinc/95/99/65/385959965.db2.gz ITXSGTHRSHGYMT-DGAVXFQQSA-N 2 0 240.391 1.658 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@@H]1CC[NH2+]CC1(C)C ZINC000414969108 385961561 /nfs/dbraw/zinc/96/15/61/385961561.db2.gz ITAYNOJWKMSYOQ-NWDGAFQWSA-N 2 0 227.396 1.338 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414973507 385994087 /nfs/dbraw/zinc/99/40/87/385994087.db2.gz ZTQLZTJKFKWQIM-QWHCGFSZSA-N 3 0 227.396 1.482 20 0 BDADRP C[C@H]1C[N@H+](C)C[C@H]1NCC1([NH3+])CCCCCC1 ZINC000335058784 385962247 /nfs/dbraw/zinc/96/22/47/385962247.db2.gz KGITZXKPMRLODA-QWHCGFSZSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)CC1CCOCC1 ZINC000414881592 385997584 /nfs/dbraw/zinc/99/75/84/385997584.db2.gz SKKWDXSQDYECMD-MNOVXSKESA-N 2 0 214.353 1.376 20 0 BDADRP CCCC[C@@H](COC)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414882576 386014137 /nfs/dbraw/zinc/01/41/37/386014137.db2.gz BXOWSJFZLRDPKT-NWDGAFQWSA-N 2 0 214.353 1.519 20 0 BDADRP Cc1ccc([C@H]([NH3+])C(=O)NC[C@H]([NH3+])C(C)C)cc1 ZINC000295331955 386014574 /nfs/dbraw/zinc/01/45/74/386014574.db2.gz ZOPQPNJKMKYPKB-STQMWFEESA-N 2 0 249.358 1.094 20 0 BDADRP CC(C)C[C@H]([NH3+])c1noc(C[C@H](C)[NH3+])n1 ZINC000309499025 386015642 /nfs/dbraw/zinc/01/56/42/386015642.db2.gz ULTNFBCHDNHHEE-YUMQZZPRSA-N 2 0 212.297 1.005 20 0 BDADRP CC(=O)Nc1ccc(C[NH2+]C[C@H](C)C[NH3+])cc1 ZINC000414882781 386020838 /nfs/dbraw/zinc/02/08/38/386020838.db2.gz UJRSGNKEDVZBNW-SNVBAGLBSA-N 2 0 235.331 1.329 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](CCCCC(F)(F)F)C1 ZINC000124397407 386029193 /nfs/dbraw/zinc/02/91/93/386029193.db2.gz ZBFVZVJAZOUTPA-VIFPVBQESA-N 2 0 224.270 2.000 20 0 BDADRP CC[C@H]([NH2+][C@H]1CN(C2CC2)C[C@@H]1C)C(C)(C)O ZINC000340503787 386030011 /nfs/dbraw/zinc/03/00/11/386030011.db2.gz PFHIAGGGCDURBL-DRZSPHRISA-N 2 0 240.391 1.608 20 0 BDADRP C[C@@](CN)([NH2+]CCCC1CC[NH2+]CC1)C1CC1 ZINC000647868547 386030421 /nfs/dbraw/zinc/03/04/21/386030421.db2.gz ROIDYVGDFUKIAL-AWEZNQCLSA-N 2 0 239.407 1.483 20 0 BDADRP CCCCC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000117884184 386038942 /nfs/dbraw/zinc/03/89/42/386038942.db2.gz HHTOAOYLVQFRJA-UHFFFAOYSA-N 2 0 242.407 1.955 20 0 BDADRP C[C@@H](CC1CCOCC1)[NH2+]CC1([NH3+])CCC1 ZINC000414885168 386052451 /nfs/dbraw/zinc/05/24/51/386052451.db2.gz WOWJCPDPXBOZCR-NSHDSACASA-N 2 0 226.364 1.663 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@@H]2C[C@@H](C)O[C@H]2C)CC1 ZINC000414295087 386102889 /nfs/dbraw/zinc/10/28/89/386102889.db2.gz ZIYNEWFQGVEWAM-AGIUHOORSA-N 2 0 240.391 1.874 20 0 BDADRP CCCC[C@@H](COC)[NH2+]C[C@H]([NH3+])CC ZINC000414985372 386102886 /nfs/dbraw/zinc/10/28/86/386102886.db2.gz HQTJQNSSWYFPAC-MNOVXSKESA-N 2 0 202.342 1.519 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@@H]2C[C@H](C)O[C@@H]2C)CC1 ZINC000414295093 386104390 /nfs/dbraw/zinc/10/43/90/386104390.db2.gz ZIYNEWFQGVEWAM-XQQFMLRXSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)CC[NH2+]1 ZINC000414664085 386105633 /nfs/dbraw/zinc/10/56/33/386105633.db2.gz SYMOOAKSTVIFGQ-FDYHWXHSSA-N 2 0 225.380 1.044 20 0 BDADRP C[C@@H]1CCCN(CC[NH2+]C(C)(C)C)[C@H]1C[NH3+] ZINC000414665181 386108316 /nfs/dbraw/zinc/10/83/16/386108316.db2.gz USASTVRFVOEELR-NEPJUHHUSA-N 2 0 227.396 1.434 20 0 BDADRP Cc1ccccc1OCC[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000647873511 386121129 /nfs/dbraw/zinc/12/11/29/386121129.db2.gz UIPVUWYSIAPHBK-CQSZACIVSA-N 2 0 248.370 1.915 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@@H](C)Cc1cccc(OC)n1 ZINC000414981012 386059030 /nfs/dbraw/zinc/05/90/30/386059030.db2.gz BCVTZORKSKMZOH-WDEREUQCSA-N 2 0 237.347 1.348 20 0 BDADRP COCC1(C[NH2+][C@H](C)C2CCC2)CC[NH2+]CC1 ZINC000414981939 386062310 /nfs/dbraw/zinc/06/23/10/386062310.db2.gz XXSTWLFBYVOKIO-GFCCVEGCSA-N 2 0 240.391 1.781 20 0 BDADRP c1ccc(OCC[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000129195736 386063585 /nfs/dbraw/zinc/06/35/85/386063585.db2.gz NIEPVNNGUXWPAD-ZDUSSCGKSA-N 2 0 234.343 1.797 20 0 BDADRP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)Cn1cccn1 ZINC000345224150 386071277 /nfs/dbraw/zinc/07/12/77/386071277.db2.gz CBUNPLWGCCFQOH-CYBMUJFWSA-N 2 0 238.379 1.592 20 0 BDADRP C[C@@H]1C[C@@H](CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC000414652658 386074964 /nfs/dbraw/zinc/07/49/64/386074964.db2.gz DQNVBGDMMDFUER-RQJABVFESA-N 3 0 237.391 1.201 20 0 BDADRP CSC[C@H](O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365404932 386079002 /nfs/dbraw/zinc/07/90/02/386079002.db2.gz RLQJCHUSQOKUTO-VXGBXAGGSA-N 2 0 246.420 1.126 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414655683 386082257 /nfs/dbraw/zinc/08/22/57/386082257.db2.gz DVAMRBDXQPUUGA-XQHKEYJVSA-N 2 0 225.380 1.044 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@H](C)CCC(F)(F)F ZINC000414887139 386082291 /nfs/dbraw/zinc/08/22/91/386082291.db2.gz YUJUUSVRYAGYHU-HTQZYQBOSA-N 2 0 212.259 1.902 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)CCC(F)(F)F ZINC000414887141 386083184 /nfs/dbraw/zinc/08/31/84/386083184.db2.gz YUJUUSVRYAGYHU-SFYZADRCSA-N 2 0 212.259 1.902 20 0 BDADRP C[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C[C@H](C)N1 ZINC000414675699 386154529 /nfs/dbraw/zinc/15/45/29/386154529.db2.gz RGYUSMPTSWLZNS-FVCCEPFGSA-N 2 0 225.380 1.057 20 0 BDADRP CC(C)C[C@H]([NH3+])C[N@H+](CCO)C1CCCCC1 ZINC000414678969 386160071 /nfs/dbraw/zinc/16/00/71/386160071.db2.gz YTCOFCGYXNHPAR-ZDUSSCGKSA-N 2 0 242.407 1.987 20 0 BDADRP CCCC[N@H+](C)CC1CC[NH+](CCC[NH3+])CC1 ZINC000414679871 386161879 /nfs/dbraw/zinc/16/18/79/386161879.db2.gz SGGQZEWKJVOJGF-UHFFFAOYSA-N 3 0 241.423 1.779 20 0 BDADRP CC[C@H](COC)[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000414993043 386162008 /nfs/dbraw/zinc/16/20/08/386162008.db2.gz CATCKYYEEXDZBF-SDDRHHMPSA-N 2 0 214.353 1.519 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH2+]CCC2CCOCC2)C1 ZINC000310281963 386172015 /nfs/dbraw/zinc/17/20/15/386172015.db2.gz HPHCINAUPQVMLD-CQSZACIVSA-N 2 0 240.391 1.735 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@@H]21 ZINC000130651819 386180565 /nfs/dbraw/zinc/18/05/65/386180565.db2.gz GNMZVQZSKOPIIK-RFQIPJPRSA-N 2 0 238.375 1.472 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400525572 386181477 /nfs/dbraw/zinc/18/14/77/386181477.db2.gz PZQXYSRMPNJULF-SDDRHHMPSA-N 2 0 214.353 1.125 20 0 BDADRP CO[C@](C)(C[NH2+]CC1CC[NH+](C)CC1)C1CC1 ZINC000310437078 386185537 /nfs/dbraw/zinc/18/55/37/386185537.db2.gz UUHYYJQKXFDLAP-CQSZACIVSA-N 2 0 240.391 1.733 20 0 BDADRP CCCN(C[C@@H]1CC[NH2+][C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000414670511 386136932 /nfs/dbraw/zinc/13/69/32/386136932.db2.gz LLBJHASANNODAI-MJBXVCDLSA-N 3 0 239.407 1.448 20 0 BDADRP c1cc([C@@H]2CCC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)n[nH]1 ZINC000647881022 386207301 /nfs/dbraw/zinc/20/73/01/386207301.db2.gz UXXVAETZLNXXFI-VXGBXAGGSA-N 2 0 234.347 1.199 20 0 BDADRP CC[C@H](O)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000339008853 386207635 /nfs/dbraw/zinc/20/76/35/386207635.db2.gz DGOWEHAUWNEDRS-KGLIPLIRSA-N 2 0 240.391 1.421 20 0 BDADRP CC(C)c1noc(CN2C[C@@H](C[NH3+])C[C@@H]2C)n1 ZINC000131644178 386215315 /nfs/dbraw/zinc/21/53/15/386215315.db2.gz HZXBHQIWNGMGAE-VHSXEESVSA-N 2 0 238.335 1.362 20 0 BDADRP CCOC[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414707103 386217506 /nfs/dbraw/zinc/21/75/06/386217506.db2.gz NLBBKVJQJJBVPA-BFHYXJOUSA-N 2 0 240.391 1.733 20 0 BDADRP Cc1ccncc1C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414898064 386220116 /nfs/dbraw/zinc/22/01/16/386220116.db2.gz FUXLYTHHZZAJJI-UHFFFAOYSA-N 2 0 233.359 1.869 20 0 BDADRP C[C@@H](O)[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414712774 386229197 /nfs/dbraw/zinc/22/91/97/386229197.db2.gz OLUJMGAYDYQPAY-FDYHWXHSSA-N 2 0 226.364 1.077 20 0 BDADRP CCS[C@H]1CC[C@H]([N@H+](C)CCC[NH3+])C1 ZINC000414712644 386230439 /nfs/dbraw/zinc/23/04/39/386230439.db2.gz UXCMPICJZYUFFE-QWRGUYRKSA-N 2 0 216.394 1.941 20 0 BDADRP Cc1cnc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)cn1 ZINC000347111878 386232948 /nfs/dbraw/zinc/23/29/48/386232948.db2.gz QFWKKISBKZDDQB-LLVKDONJSA-N 2 0 234.347 1.344 20 0 BDADRP CCc1ccccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090320187 386239030 /nfs/dbraw/zinc/23/90/30/386239030.db2.gz HFKLCAXQUCNCKX-GASCZTMLSA-N 2 0 230.355 1.900 20 0 BDADRP CCN(C[C@H]([NH3+])CC(C)C)[C@H]1CCC[NH2+]CC1 ZINC000414717307 386240274 /nfs/dbraw/zinc/24/02/74/386240274.db2.gz PPKCSPJQLLAESB-KGLIPLIRSA-N 2 0 241.423 1.824 20 0 BDADRP CC(C)(C)[NH2+]CC[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415002364 386244326 /nfs/dbraw/zinc/24/43/26/386244326.db2.gz MDJXCVSCSXJZLK-NWDGAFQWSA-N 3 0 227.396 1.482 20 0 BDADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)O ZINC000339095912 386244811 /nfs/dbraw/zinc/24/48/11/386244811.db2.gz LXPSYKMCRJPCMG-HZSPNIEDSA-N 2 0 242.407 1.857 20 0 BDADRP C[NH2+]CC1CC[NH+](Cc2c[nH]nc2C)CC1 ZINC000347088479 386245352 /nfs/dbraw/zinc/24/53/52/386245352.db2.gz CTLQRIZQICTXLP-UHFFFAOYSA-N 2 0 222.336 1.150 20 0 BDADRP CC(=O)Nc1ccccc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000347100020 386250029 /nfs/dbraw/zinc/25/00/29/386250029.db2.gz KBTXIALHFCIIQL-LBPRGKRZSA-N 2 0 247.342 1.426 20 0 BDADRP C[C@@H](O)C[N@H+](C[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000647884069 386251996 /nfs/dbraw/zinc/25/19/96/386251996.db2.gz CUZABZIFKNEQHA-OLZOCXBDSA-N 2 0 240.391 1.611 20 0 BDADRP Cc1cncc(CN2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000310513786 386196512 /nfs/dbraw/zinc/19/65/12/386196512.db2.gz UYASSWBAODAKFC-UONOGXRCSA-N 2 0 231.343 1.574 20 0 BDADRP CN(CC[NH2+]C(C)(C)C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000414697758 386198262 /nfs/dbraw/zinc/19/82/62/386198262.db2.gz QGVFMAHBGAGZNO-CYBMUJFWSA-N 2 0 239.407 1.543 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@](C)(C[NH3+])C2)CC[NH2+]1 ZINC000414729353 386280706 /nfs/dbraw/zinc/28/07/06/386280706.db2.gz DXVZOFREDYAVAZ-FRRDWIJNSA-N 3 0 225.380 1.045 20 0 BDADRP [NH3+]CCCN1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000414729955 386281239 /nfs/dbraw/zinc/28/12/39/386281239.db2.gz FRWULKMLPACBQM-ZDUSSCGKSA-N 2 0 237.322 1.121 20 0 BDADRP C([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)[C@@H]1CC[NH2+]C1 ZINC000414900968 386290087 /nfs/dbraw/zinc/29/00/87/386290087.db2.gz FOUJEODIFJIARY-FDYHWXHSSA-N 2 0 236.359 1.143 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)C(C)C)C1 ZINC000336667779 386295960 /nfs/dbraw/zinc/29/59/60/386295960.db2.gz ORZRJTRQHXHYJH-STQMWFEESA-N 2 0 228.380 1.277 20 0 BDADRP CC(C)C[C@H]([NH3+])CN(C)CCc1cnccn1 ZINC000414736341 386302460 /nfs/dbraw/zinc/30/24/60/386302460.db2.gz GNKDJZDTHDROAD-LBPRGKRZSA-N 2 0 236.363 1.324 20 0 BDADRP C[C@H]1CC[N@H+](CC2CC[NH2+]CC2)[C@@H](CN)C1 ZINC000335266634 386305932 /nfs/dbraw/zinc/30/59/32/386305932.db2.gz BVTPCLQBRZXIPV-WCQYABFASA-N 2 0 225.380 1.045 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](CC[NH3+])C2)CC[NH2+]1 ZINC000414738235 386318221 /nfs/dbraw/zinc/31/82/21/386318221.db2.gz OZIVJDRQYZYFRZ-HZSPNIEDSA-N 3 0 239.407 1.435 20 0 BDADRP Fc1ccc2c(c1)CCN(C[C@H]1CC[NH2+]C1)C2 ZINC000647988863 386322821 /nfs/dbraw/zinc/32/28/21/386322821.db2.gz ZZIOGDNUCLZQDY-NSHDSACASA-N 2 0 234.318 1.793 20 0 BDADRP CC(C)(C)C[N@H+](CCCO)C[C@H]1CC[NH2+]C1 ZINC000647884466 386263884 /nfs/dbraw/zinc/26/38/84/386263884.db2.gz SXDMRRJAYBQHJL-LBPRGKRZSA-N 2 0 228.380 1.326 20 0 BDADRP C[C@@H]1CN(CCCC2CC[NH2+]CC2)C[C@H]1[NH3+] ZINC000647987564 386274751 /nfs/dbraw/zinc/27/47/51/386274751.db2.gz DARIAMNCZBPKGD-DGCLKSJQSA-N 2 0 225.380 1.045 20 0 BDADRP C[C@H](O)C[C@@H]1CCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000336682278 386342514 /nfs/dbraw/zinc/34/25/14/386342514.db2.gz DCSVBYNZANCCEL-MJBXVCDLSA-N 2 0 240.391 1.706 20 0 BDADRP c1cn(CC[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)cn1 ZINC000336687681 386351176 /nfs/dbraw/zinc/35/11/76/386351176.db2.gz AYSJSKFDRHFTLJ-UONOGXRCSA-N 2 0 249.358 1.632 20 0 BDADRP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000414747817 386356903 /nfs/dbraw/zinc/35/69/03/386356903.db2.gz UXBGPWINTHLWGE-RVMXOQNASA-N 2 0 226.364 1.063 20 0 BDADRP CCN(CCCO)C[C@@H]([NH3+])CC(C)C ZINC000414748955 386364359 /nfs/dbraw/zinc/36/43/59/386364359.db2.gz VLWYFAUFNMCYFA-NSHDSACASA-N 2 0 202.342 1.064 20 0 BDADRP CC(C)C[C@H]([NH3+])CNCC[C@H]1CCC[NH2+]1 ZINC000414906966 386376055 /nfs/dbraw/zinc/37/60/55/386376055.db2.gz QDMMGXDCIHMFQL-NWDGAFQWSA-N 2 0 213.369 1.092 20 0 BDADRP COC(C)(C)[C@@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000336775428 386384507 /nfs/dbraw/zinc/38/45/07/386384507.db2.gz YZUIXHAZRZOFEI-LLVKDONJSA-N 2 0 226.364 1.651 20 0 BDADRP C[C@@]1(C[NH2+]C[C@H]2CCCOC2)CCC[NH2+]C1 ZINC000414902890 386326309 /nfs/dbraw/zinc/32/63/09/386326309.db2.gz HVJDSVNONMEFHV-CHWSQXEVSA-N 2 0 226.364 1.392 20 0 BDADRP CC1(C[NH2+]Cc2cccc(O)c2)CC[NH2+]CC1 ZINC000414902500 386329559 /nfs/dbraw/zinc/32/95/59/386329559.db2.gz JTPYSTYDOCGHJK-UHFFFAOYSA-N 2 0 234.343 1.872 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414903206 386335103 /nfs/dbraw/zinc/33/51/03/386335103.db2.gz LOJKXGRFJUAUNX-LBPRGKRZSA-N 3 0 227.396 1.339 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC000230045300 386336565 /nfs/dbraw/zinc/33/65/65/386336565.db2.gz PLVZZJICBWFQJI-HZSPNIEDSA-N 2 0 231.343 1.641 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCCOC2)C1 ZINC000336717893 386440464 /nfs/dbraw/zinc/44/04/64/386440464.db2.gz WOIBNVKBOIJSGD-UONOGXRCSA-N 2 0 240.391 1.687 20 0 BDADRP C[C@H](CCC1CC1)[NH2+]C[C@H](O)CN(C)C ZINC000336754242 386443978 /nfs/dbraw/zinc/44/39/78/386443978.db2.gz ICVAWAFHJBCLHQ-PWSUYJOCSA-N 2 0 214.353 1.077 20 0 BDADRP C[C@@H](CCC1CC1)[NH2+]C[C@H](O)CN(C)C ZINC000336754241 386445511 /nfs/dbraw/zinc/44/55/11/386445511.db2.gz ICVAWAFHJBCLHQ-JQWIXIFHSA-N 2 0 214.353 1.077 20 0 BDADRP C([NH2+][C@@H]1CCCC12CCOCC2)[C@@H]1CC[NH2+]C1 ZINC000647992571 386446077 /nfs/dbraw/zinc/44/60/77/386446077.db2.gz PKPXTYUURNKMRD-CHWSQXEVSA-N 2 0 238.375 1.535 20 0 BDADRP C[C@@H]1CC2(C[N@@H+]1Cc1ccno1)CC[NH2+]CC2 ZINC000335280018 386394374 /nfs/dbraw/zinc/39/43/74/386394374.db2.gz QMCJSWMWEUOHQG-LLVKDONJSA-N 2 0 235.331 1.639 20 0 BDADRP C[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000336700350 386401987 /nfs/dbraw/zinc/40/19/87/386401987.db2.gz KTHQPJHZLJXTFS-OLZOCXBDSA-N 2 0 226.364 1.297 20 0 BDADRP Cc1c(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)cnn1C ZINC000415009077 386404542 /nfs/dbraw/zinc/40/45/42/386404542.db2.gz TVPOQUCPFDBPOE-WCQYABFASA-N 2 0 236.363 1.336 20 0 BDADRP c1ccc2c(NC[C@H]3C[NH2+]CCO3)cc[nH+]c2c1 ZINC000134273912 386406683 /nfs/dbraw/zinc/40/66/83/386406683.db2.gz PDCBDHYPQGPDKB-LLVKDONJSA-N 2 0 243.310 1.635 20 0 BDADRP Cc1ccc(CCC[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cn1 ZINC000339411216 386413378 /nfs/dbraw/zinc/41/33/78/386413378.db2.gz VYFLHTYLEAVAAC-DOMZBBRYSA-N 2 0 247.386 1.992 20 0 BDADRP Cc1ccc(CCC[N@@H+]2CC[C@](C)(C[NH3+])C2)cn1 ZINC000339408429 386414008 /nfs/dbraw/zinc/41/40/08/386414008.db2.gz BADIXGWVQKFGNW-OAHLLOKOSA-N 2 0 247.386 1.993 20 0 BDADRP Cc1ccc(CCC[NH+]2CCC(C[NH3+])CC2)cn1 ZINC000339409606 386415199 /nfs/dbraw/zinc/41/51/99/386415199.db2.gz HVCXLOKVHHWGSM-UHFFFAOYSA-N 2 0 247.386 1.993 20 0 BDADRP Cc1ccc(CCC[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cn1 ZINC000339408681 386415257 /nfs/dbraw/zinc/41/52/57/386415257.db2.gz URZQKDOIPLBCKI-UKRRQHHQSA-N 2 0 247.386 1.992 20 0 BDADRP COC1CC([NH2+]CC2(C[NH+](C)C)CCCC2)C1 ZINC000347467266 386416323 /nfs/dbraw/zinc/41/63/23/386416323.db2.gz LPHQTLDJAZPXKT-UHFFFAOYSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]CCc1ccccn1 ZINC000093462308 386416737 /nfs/dbraw/zinc/41/67/37/386416737.db2.gz QKVNAHRSROSOSH-TZMCWYRMSA-N 2 0 233.359 1.744 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414762235 386417254 /nfs/dbraw/zinc/41/72/54/386417254.db2.gz ACOROBKKOPCSOO-HZSPNIEDSA-N 2 0 239.407 1.291 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H](O)C(C)(C)C2)CC[NH2+]1 ZINC000414762000 386421580 /nfs/dbraw/zinc/42/15/80/386421580.db2.gz VEZXIJJCVRCSAZ-IJLUTSLNSA-N 2 0 226.364 1.077 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)CCCC[NH3+])[C@H](C)C1 ZINC000415009697 386426415 /nfs/dbraw/zinc/42/64/15/386426415.db2.gz FOJBMTNAHXYUJO-MCIONIFRSA-N 3 0 241.423 1.824 20 0 BDADRP CCCN(C[C@@H]1CC[NH2+]C1)C1CC[NH2+]CC1 ZINC000647894287 386430957 /nfs/dbraw/zinc/43/09/57/386430957.db2.gz KRXWBUZKKWXMLV-GFCCVEGCSA-N 2 0 225.380 1.060 20 0 BDADRP C[N@H+](CCOc1ccccc1)CC(C)(C)C[NH3+] ZINC000093874096 386431058 /nfs/dbraw/zinc/43/10/58/386431058.db2.gz KCBRBSYVSGOKKO-UHFFFAOYSA-N 2 0 236.359 1.982 20 0 BDADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCC(C)(C)C2)CC1 ZINC000334449402 386433772 /nfs/dbraw/zinc/43/37/72/386433772.db2.gz QACLARCQQBLORI-LBPRGKRZSA-N 2 0 240.391 1.611 20 0 BDADRP CC[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000335366005 386477657 /nfs/dbraw/zinc/47/76/57/386477657.db2.gz NNSYMLQBZSJWHL-GFCCVEGCSA-N 2 0 225.380 1.107 20 0 BDADRP CC[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CC[C@H]1[NH3+] ZINC000647934661 386481336 /nfs/dbraw/zinc/48/13/36/386481336.db2.gz LZONIMLFNQQUPU-BFHYXJOUSA-N 3 0 239.407 1.435 20 0 BDADRP c1cncc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000415011240 386487144 /nfs/dbraw/zinc/48/71/44/386487144.db2.gz QQQUHEKYMWVLGO-UONOGXRCSA-N 2 0 231.343 1.559 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@@H]2CC23CC3)CC1 ZINC000417357666 386495388 /nfs/dbraw/zinc/49/53/88/386495388.db2.gz GTYQEERTALDDKN-NSHDSACASA-N 2 0 208.349 1.860 20 0 BDADRP C[C@H]1OCC[C@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415015330 386500097 /nfs/dbraw/zinc/50/00/97/386500097.db2.gz YHXKCXSASLIEGI-GWNIPJSYSA-N 2 0 224.348 1.142 20 0 BDADRP C[C@@H]([NH3+])[C@@H](C)[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000415015299 386501089 /nfs/dbraw/zinc/50/10/89/386501089.db2.gz MREPLYOMXRILAG-VXGBXAGGSA-N 2 0 248.370 1.879 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C1CCC(C[NH3+])CC1 ZINC000415016883 386502441 /nfs/dbraw/zinc/50/24/41/386502441.db2.gz QMBYYEPWNPCOIE-HIFPTAJRSA-N 3 0 227.396 1.611 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+][C@H](C)CCC[NH3+])CCO1 ZINC000415017712 386503517 /nfs/dbraw/zinc/50/35/17/386503517.db2.gz FTIGJMVFUNNIQL-UPJWGTAASA-N 2 0 228.380 1.907 20 0 BDADRP COc1cc(CN[C@H](C)[C@H](C)[NH3+])ccc1C ZINC000415017700 386503934 /nfs/dbraw/zinc/50/39/34/386503934.db2.gz QKDDVASKIGNERX-WDEREUQCSA-N 2 0 222.332 1.829 20 0 BDADRP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@](C)(O)C[NH2+]C ZINC000519609624 386505129 /nfs/dbraw/zinc/50/51/29/386505129.db2.gz WSQMMJLPVIXTRI-WOPDTQHZSA-N 2 0 214.353 1.125 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C[C@@]1(C)C[NH3+] ZINC000415050198 386505414 /nfs/dbraw/zinc/50/54/14/386505414.db2.gz FMRQNJCLQPWZLR-XJFOESAGSA-N 3 0 239.407 1.291 20 0 BDADRP CCC1CCC([NH2+]C[C@@H]2C[NH2+]CCCO2)CC1 ZINC000415051002 386508776 /nfs/dbraw/zinc/50/87/76/386508776.db2.gz ZCABRBQCWKIMGO-RUXDESIVSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H](C[NH2+]CCCC[NH3+])CC1CCOCC1 ZINC000414914553 386509218 /nfs/dbraw/zinc/50/92/18/386509218.db2.gz XSTBIEDCYHVPIO-LBPRGKRZSA-N 2 0 228.380 1.768 20 0 BDADRP CCC1(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)COC1 ZINC000393975170 386513356 /nfs/dbraw/zinc/51/33/56/386513356.db2.gz UUFSJPGMLCTNLH-FRRDWIJNSA-N 2 0 240.391 1.731 20 0 BDADRP CC(C)(C)[NH2+]CC[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415026059 386514877 /nfs/dbraw/zinc/51/48/77/386514877.db2.gz RUHRCNMIKPYDQI-JOCQHMNTSA-N 2 0 241.423 1.729 20 0 BDADRP COC[C@@H](CC(C)C)[NH2+][C@H](C)CCC[NH3+] ZINC000415028008 386515920 /nfs/dbraw/zinc/51/59/20/386515920.db2.gz XRVVXXNRSNCAFR-VXGBXAGGSA-N 2 0 216.369 1.765 20 0 BDADRP CC(C)(N)C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000335448382 386516337 /nfs/dbraw/zinc/51/63/37/386516337.db2.gz PBHGRLNSBWUQQJ-NEPJUHHUSA-N 2 0 226.364 1.615 20 0 BDADRP COc1cc(C)nc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c1 ZINC000415030718 386518290 /nfs/dbraw/zinc/51/82/90/386518290.db2.gz FYSGOMBXFJGSOP-NWDGAFQWSA-N 2 0 249.358 1.616 20 0 BDADRP COc1ccccc1C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415031919 386519383 /nfs/dbraw/zinc/51/93/83/386519383.db2.gz HKEXERUQURGRRY-YPMHNXCESA-N 2 0 234.343 1.912 20 0 BDADRP Cc1ccncc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000135500235 386519485 /nfs/dbraw/zinc/51/94/85/386519485.db2.gz CLLHBQZZKGFALG-CYBMUJFWSA-N 2 0 233.359 1.951 20 0 BDADRP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415030979 386519589 /nfs/dbraw/zinc/51/95/89/386519589.db2.gz FSUVZYAPUOKFLP-WUWHUORYSA-N 2 0 234.318 1.564 20 0 BDADRP C[C@H](C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)CC1CCOCC1 ZINC000415032088 386519687 /nfs/dbraw/zinc/51/96/87/386519687.db2.gz HIWVUFDVNWLIKI-SCUASFONSA-N 2 0 238.375 1.247 20 0 BDADRP CCC[C@@H](C)C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415033299 386521677 /nfs/dbraw/zinc/52/16/77/386521677.db2.gz GWHGVGYBUAHUDQ-VXGBXAGGSA-N 2 0 214.353 1.391 20 0 BDADRP C[C@H](C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1 ZINC000415036853 386524093 /nfs/dbraw/zinc/52/40/93/386524093.db2.gz MILODPWHXJYXGV-ZZVYKPCYSA-N 2 0 216.328 1.598 20 0 BDADRP CCOC[C@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415036580 386524331 /nfs/dbraw/zinc/52/43/31/386524331.db2.gz LOYRTMSWCPXHEA-DCAQKATOSA-N 2 0 200.326 1.128 20 0 BDADRP C[C@H](C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(F)cc1 ZINC000415038785 386526253 /nfs/dbraw/zinc/52/62/53/386526253.db2.gz OLKMQTZYISKGKE-QQUHWDOBSA-N 2 0 234.318 1.737 20 0 BDADRP CC(C)n1cc(CN[C@@H]2CC[NH2+]C2(C)C)cn1 ZINC000415038928 386526271 /nfs/dbraw/zinc/52/62/71/386526271.db2.gz MMFZLZPUDYAXDE-GFCCVEGCSA-N 2 0 236.363 1.694 20 0 BDADRP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C1 ZINC000415040905 386526436 /nfs/dbraw/zinc/52/64/36/386526436.db2.gz OQLNMMUURQCAFS-AGIUHOORSA-N 2 0 226.364 1.533 20 0 BDADRP CC(C)(C)[NH2+]CCN[C@H]1CC[NH2+]C1(C)C ZINC000415038953 386527796 /nfs/dbraw/zinc/52/77/96/386527796.db2.gz MPEBYWWSBSYDFQ-JTQLQIEISA-N 2 0 213.369 1.105 20 0 BDADRP CCn1nccc1C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414911081 386453693 /nfs/dbraw/zinc/45/36/93/386453693.db2.gz TXOOJMLHBTWVDC-UHFFFAOYSA-N 2 0 236.363 1.382 20 0 BDADRP C([C@@H]1CC[NH2+]C1)N1CC[NH2+]CC12CCCCC2 ZINC000647895351 386462673 /nfs/dbraw/zinc/46/26/73/386462673.db2.gz SUXLGOHJJBXAQS-CYBMUJFWSA-N 2 0 237.391 1.204 20 0 BDADRP CC[C@H]([NH2+]C[C@H]([NH3+])CC(C)C)[C@@H]1CCCO1 ZINC000415076904 386577938 /nfs/dbraw/zinc/57/79/38/386577938.db2.gz GYFIPGPTJLYYMJ-AGIUHOORSA-N 2 0 228.380 1.907 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+][C@H](C)C1CCOCC1 ZINC000415076272 386579363 /nfs/dbraw/zinc/57/93/63/386579363.db2.gz ARXZBRRYNOXFCJ-YPMHNXCESA-N 2 0 228.380 1.765 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CCCC[C@@H]1CC[NH3+] ZINC000414800219 386584810 /nfs/dbraw/zinc/58/48/10/386584810.db2.gz YXYHOQPDTPPVEA-CHWSQXEVSA-N 2 0 227.396 1.563 20 0 BDADRP CSCCC[NH2+][C@@H](C)CCCC[NH3+] ZINC000336644406 386585886 /nfs/dbraw/zinc/58/58/86/386585886.db2.gz PQJAWDZJWSVPGU-JTQLQIEISA-N 2 0 204.383 1.847 20 0 BDADRP C[C@H]1C[C@H](C[NH2+][C@H](CO)c2ccccc2)CC[NH2+]1 ZINC000415078440 386587693 /nfs/dbraw/zinc/58/76/93/386587693.db2.gz IOWXCIAZWQYHFW-GZBFAFLISA-N 2 0 248.370 1.698 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)N[C@H]1CCCC[NH2+]C1 ZINC000415080126 386587887 /nfs/dbraw/zinc/58/78/87/386587887.db2.gz YCHZDMZXERDAEG-UPJWGTAASA-N 2 0 225.380 1.249 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cnn2ccccc12 ZINC000414801553 386589566 /nfs/dbraw/zinc/58/95/66/386589566.db2.gz UKWCSAXJRVUVBE-AAEUAGOBSA-N 2 0 244.342 1.551 20 0 BDADRP COc1cc(C)nc(CN[C@@H](C[NH3+])C2CC2)c1 ZINC000414800088 386594323 /nfs/dbraw/zinc/59/43/23/386594323.db2.gz KOWIPRMZFLTRGV-ZDUSSCGKSA-N 2 0 235.331 1.226 20 0 BDADRP CCc1ncc(CNC[C@@H]([NH3+])C(C)C)s1 ZINC000414799435 386594510 /nfs/dbraw/zinc/59/45/10/386594510.db2.gz RIDNGDLTDNVZSM-SNVBAGLBSA-N 2 0 227.377 1.778 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CNC[C@H]1CCC[NH2+]C1 ZINC000415083289 386594702 /nfs/dbraw/zinc/59/47/02/386594702.db2.gz PQMJGMSTQHUKGS-UONOGXRCSA-N 2 0 239.407 1.450 20 0 BDADRP CCCC[C@H](COC)[NH2+]CC(C)(C)[NH3+] ZINC000414802688 386596305 /nfs/dbraw/zinc/59/63/05/386596305.db2.gz LFGUMXGKZSYHBR-SNVBAGLBSA-N 2 0 202.342 1.519 20 0 BDADRP CC[C@@H](C)C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415046717 386533786 /nfs/dbraw/zinc/53/37/86/386533786.db2.gz VDMKCLACQHLWLC-MNOVXSKESA-N 2 0 200.326 1.001 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCCC1CCOCC1 ZINC000414790886 386535658 /nfs/dbraw/zinc/53/56/58/386535658.db2.gz AOYYUEJLCXEXPC-UONOGXRCSA-N 2 0 240.391 1.910 20 0 BDADRP C[C@@H]1CN([C@@H]2CCC[NH2+]CC2)C[C@@]1(C)C[NH3+] ZINC000415056027 386537767 /nfs/dbraw/zinc/53/77/67/386537767.db2.gz NXLTUORIIWONQF-JHJVBQTASA-N 3 0 225.380 1.045 20 0 BDADRP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000414789508 386539856 /nfs/dbraw/zinc/53/98/56/386539856.db2.gz OQNNHDOSRZERIC-GJZGRUSLSA-N 2 0 246.354 1.234 20 0 BDADRP [NH3+]CCC[C@H](N[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000415060681 386541416 /nfs/dbraw/zinc/54/14/16/386541416.db2.gz XHGGWWUEYKAFBE-KGLIPLIRSA-N 3 0 233.359 1.418 20 0 BDADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415062718 386545533 /nfs/dbraw/zinc/54/55/33/386545533.db2.gz MVDWWHGMHXKQPA-QSLWVIQJSA-N 2 0 237.391 1.105 20 0 BDADRP C[C@H](CCO)[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000332045851 386546399 /nfs/dbraw/zinc/54/63/99/386546399.db2.gz VDVCKBRDRMILMN-GMTAPVOTSA-N 2 0 200.326 1.007 20 0 BDADRP c1ccc(O[C@H]2CC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000647995242 386547917 /nfs/dbraw/zinc/54/79/17/386547917.db2.gz IWMMCSJADQHLDN-HIFRSBDPSA-N 2 0 246.354 1.749 20 0 BDADRP CC(C)[C@H]([NH3+])C[NH2+]C1CCSCC1 ZINC000414794366 386559838 /nfs/dbraw/zinc/55/98/38/386559838.db2.gz LZESOSBBYPUYIL-SNVBAGLBSA-N 2 0 202.367 1.455 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[N@H+](CC1CCC1)[C@@H](C)CO ZINC000415110832 386620498 /nfs/dbraw/zinc/62/04/98/386620498.db2.gz SXPCFTFCQJBNTO-GXTWGEPZSA-N 2 0 242.407 1.843 20 0 BDADRP Cc1cccc(OCC[NH2+]C[C@@]2(C)CC[NH2+]C2)c1 ZINC000415111572 386620876 /nfs/dbraw/zinc/62/08/76/386620876.db2.gz RFDSHGQECQXZKO-HNNXBMFYSA-N 2 0 248.370 1.963 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCOCC(F)(F)F ZINC000336646111 386624976 /nfs/dbraw/zinc/62/49/76/386624976.db2.gz DQXNRLABUIKHFH-SECBINFHSA-N 2 0 242.285 1.672 20 0 BDADRP C[C@H]([NH2+][C@H]1CC2CCC1CC2)C1C[NH2+]C1 ZINC000335501373 386629522 /nfs/dbraw/zinc/62/95/22/386629522.db2.gz SDFUNDPTNMOICP-YUVKLTJASA-N 2 0 208.349 1.763 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+]CC(C)(C)[NH3+])CCO1 ZINC000414810506 386631409 /nfs/dbraw/zinc/63/14/09/386631409.db2.gz XDNRMOAOIGAHRG-GHMZBOCLSA-N 2 0 214.353 1.519 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414810354 386631552 /nfs/dbraw/zinc/63/15/52/386631552.db2.gz VGPYSMTYPZGKIO-FRRDWIJNSA-N 3 0 225.380 1.093 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CCCS1 ZINC000308119332 386632783 /nfs/dbraw/zinc/63/27/83/386632783.db2.gz CGPFCLBNPYBKBB-UWVGGRQHSA-N 2 0 202.367 1.599 20 0 BDADRP C[C@H]([NH3+])c1ccc(CN[C@@H]2CCC[NH2+]C2)cc1 ZINC000414812105 386639724 /nfs/dbraw/zinc/63/97/24/386639724.db2.gz KISOTQKLGNTCFN-SMDDNHRTSA-N 2 0 233.359 1.548 20 0 BDADRP CC[C@H](COC)[NH2+]CC([NH3+])(CC)CC ZINC000414812746 386642444 /nfs/dbraw/zinc/64/24/44/386642444.db2.gz RQSPWIFQHYCMNA-SNVBAGLBSA-N 2 0 202.342 1.519 20 0 BDADRP CCCC[C@H](C[NH3+])NC[C@H]1CCC[NH2+]C1 ZINC000414813442 386644912 /nfs/dbraw/zinc/64/49/12/386644912.db2.gz MLZXQAWIAYWXNZ-NWDGAFQWSA-N 2 0 213.369 1.093 20 0 BDADRP CC[NH+](CC)[C@H](C)CNC1CC[NH+](C)CC1 ZINC000336782613 386648813 /nfs/dbraw/zinc/64/88/13/386648813.db2.gz YFOIEGBVEGVNMS-GFCCVEGCSA-N 2 0 227.396 1.401 20 0 BDADRP CCC([NH3+])(CC)C[NH2+][C@@H](C)Cn1cccn1 ZINC000414815589 386650149 /nfs/dbraw/zinc/65/01/49/386650149.db2.gz XROHMQPZOGQSTF-NSHDSACASA-N 2 0 224.352 1.379 20 0 BDADRP C[C@@]1(C[NH2+]C2CCC(O)CC2)CCC[NH2+]C1 ZINC000335488154 386605590 /nfs/dbraw/zinc/60/55/90/386605590.db2.gz NHFVJHUKJUVADS-WXRRBKDZSA-N 2 0 226.364 1.269 20 0 BDADRP C[C@H]([NH3+])c1ccc(C[NH2+]C[C@@]2(C)CC[NH2+]C2)cc1 ZINC000414807736 386611478 /nfs/dbraw/zinc/61/14/78/386611478.db2.gz CZQVBRXSRRNOPY-WFASDCNBSA-N 3 0 247.386 1.796 20 0 BDADRP C[C@@H](NCC[NH2+]C(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC000414818723 386668874 /nfs/dbraw/zinc/66/88/74/386668874.db2.gz FUSXXEKHUOVLRC-NEPJUHHUSA-N 2 0 227.396 1.352 20 0 BDADRP FC(F)CN1CCC([NH2+]C[C@@H]2CCC[NH2+]2)CC1 ZINC000414821573 386676695 /nfs/dbraw/zinc/67/66/95/386676695.db2.gz CLNIMHWMJATCLZ-NSHDSACASA-N 2 0 247.333 1.058 20 0 BDADRP Cc1noc([C@H](C)[N@@H+]2CCC[C@@H](CC[NH3+])C2)n1 ZINC000647951277 386658265 /nfs/dbraw/zinc/65/82/65/386658265.db2.gz UXZFFTDJGGDTMG-ONGXEEELSA-N 2 0 238.335 1.500 20 0 BDADRP C[C@H](C[NH3+])N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000414926985 386685586 /nfs/dbraw/zinc/68/55/86/386685586.db2.gz KODUQBAEAAICHC-IPYPFGDCSA-N 2 0 247.386 1.759 20 0 BDADRP COC[C@H](C)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337268901 386686243 /nfs/dbraw/zinc/68/62/43/386686243.db2.gz LCWCJUVSSYPXSF-LBPRGKRZSA-N 2 0 214.353 1.439 20 0 BDADRP CC[C@](C)([NH2+]CCOCC[NH3+])c1nccs1 ZINC000357082090 386711626 /nfs/dbraw/zinc/71/16/26/386711626.db2.gz OOQHNJBOCDXJHH-NSHDSACASA-N 2 0 243.376 1.333 20 0 BDADRP C[C@H]([NH3+])CC[NH2+]Cc1cccc2c1NCC2 ZINC000414825067 386688230 /nfs/dbraw/zinc/68/82/30/386688230.db2.gz RWLMUPIMIDFCNG-JTQLQIEISA-N 2 0 219.332 1.482 20 0 BDADRP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)[C@H]1CCC[NH2+]C1 ZINC000414825348 386690584 /nfs/dbraw/zinc/69/05/84/386690584.db2.gz SHIVCJFWSCPXNM-AHPWVWPOSA-N 3 0 239.407 1.482 20 0 BDADRP C[N@H+](CCOCC[NH3+])[C@@H]1CCc2ccccc21 ZINC000357022672 386692347 /nfs/dbraw/zinc/69/23/47/386692347.db2.gz BJVHRYDBYQDTLF-CQSZACIVSA-N 2 0 234.343 1.581 20 0 BDADRP CC(C)C[C@H]([NH3+])CNC[C@H]([NH3+])c1ccccc1 ZINC000414828069 386699187 /nfs/dbraw/zinc/69/91/87/386699187.db2.gz IINHLBDWSCSIHN-KBPBESRZSA-N 2 0 235.375 1.649 20 0 BDADRP CC(C)C[C@@H]([NH3+])c1noc([C@H]2CC[N@H+](C)C2)n1 ZINC000520580632 386702211 /nfs/dbraw/zinc/70/22/11/386702211.db2.gz DETYIIVKKQJZDB-VHSXEESVSA-N 2 0 238.335 1.535 20 0 BDADRP COC[C@@H](C)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357051165 386703492 /nfs/dbraw/zinc/70/34/92/386703492.db2.gz MSHWUUDENLJFIS-DGCLKSJQSA-N 2 0 226.364 1.343 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(C)c(OC)c1 ZINC000414829955 386706079 /nfs/dbraw/zinc/70/60/79/386706079.db2.gz ADXBVGPGLROAHJ-LLVKDONJSA-N 2 0 236.359 1.949 20 0 BDADRP C[N@H+](CCOCC[NH3+])C1Cc2ccccc2C1 ZINC000357066672 386707578 /nfs/dbraw/zinc/70/75/78/386707578.db2.gz BTFITENYLSSDOS-UHFFFAOYSA-N 2 0 234.343 1.061 20 0 BDADRP CCC[C@@H]1[C@@H](C)CCC[N@@H+]1CCOCC[NH3+] ZINC000357071218 386708338 /nfs/dbraw/zinc/70/83/38/386708338.db2.gz JNGSCYUIFPOOLH-QWHCGFSZSA-N 2 0 228.380 1.862 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000357066934 386708603 /nfs/dbraw/zinc/70/86/03/386708603.db2.gz DBPSKAUOELSBQL-NWDGAFQWSA-N 2 0 244.404 1.322 20 0 BDADRP [NH3+]C1(C[NH2+]CC[C@H]2CCOC2)CCCCC1 ZINC000414837348 386733585 /nfs/dbraw/zinc/73/35/85/386733585.db2.gz GWDFOSZVBZNTOJ-LBPRGKRZSA-N 2 0 226.364 1.664 20 0 BDADRP C[NH2+][C@H]1CCN(C(=O)c2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000335485633 386714662 /nfs/dbraw/zinc/71/46/62/386714662.db2.gz GKCJAXWCWQWLQN-MFKMUULPSA-N 2 0 247.342 1.140 20 0 BDADRP CCS[C@H]1CCCC[N@H+](CCOCC[NH3+])C1 ZINC000357084382 386715089 /nfs/dbraw/zinc/71/50/89/386715089.db2.gz PZFFSJDAZNHRNT-LBPRGKRZSA-N 2 0 246.420 1.569 20 0 BDADRP C[C@]1(CNC[C@@H]2[NH2+]CCCC2(C)C)CC[NH2+]C1 ZINC000414928421 386715756 /nfs/dbraw/zinc/71/57/56/386715756.db2.gz NBSCGIJPNCBQEZ-JSGCOSHPSA-N 2 0 239.407 1.354 20 0 BDADRP Cc1ncccc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414838754 386740061 /nfs/dbraw/zinc/74/00/61/386740061.db2.gz VQQAMCBDFPTWGU-GFCCVEGCSA-N 2 0 219.332 1.479 20 0 BDADRP CC[NH+]1CCC(NCC2([NH3+])CCCCC2)CC1 ZINC000414834921 386723829 /nfs/dbraw/zinc/72/38/29/386723829.db2.gz CJUUAHPYALHSRC-UHFFFAOYSA-N 2 0 239.407 1.722 20 0 BDADRP c1[nH]nc2c1cccc2C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414835466 386728159 /nfs/dbraw/zinc/72/81/59/386728159.db2.gz UEVJLQLOPDVOAR-LLVKDONJSA-N 2 0 244.342 1.652 20 0 BDADRP [NH3+]C[C@@H](NC[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000414839618 386747008 /nfs/dbraw/zinc/74/70/08/386747008.db2.gz LQEWAICKOQSVLX-GXTWGEPZSA-N 2 0 239.407 1.483 20 0 BDADRP CC(C)C[C@H](CN)[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414842109 386750050 /nfs/dbraw/zinc/75/00/50/386750050.db2.gz NRVMWZIWQALHIZ-RWMBFGLXSA-N 2 0 227.396 1.338 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1cnccc1C ZINC000414840779 386751677 /nfs/dbraw/zinc/75/16/77/386751677.db2.gz NIFONQFJPGTUDR-SNVBAGLBSA-N 2 0 207.321 1.335 20 0 BDADRP C[C@H]1C[C@H](C[NH2+]CC2([NH3+])CCCCC2)CC[NH2+]1 ZINC000414842837 386754314 /nfs/dbraw/zinc/75/43/14/386754314.db2.gz NAHIAURLQRZSLU-QWHCGFSZSA-N 3 0 239.407 1.626 20 0 BDADRP CC(C)OCCCN1CCC[C@H](C)[C@H]1C[NH3+] ZINC000430576946 386755271 /nfs/dbraw/zinc/75/52/71/386755271.db2.gz SZYSHFFGVBQZJU-QWHCGFSZSA-N 2 0 228.380 1.861 20 0 BDADRP CCCCC[N@H+](CCO)C[C@]1(C)CC[NH2+]C1 ZINC000340714190 386761538 /nfs/dbraw/zinc/76/15/38/386761538.db2.gz RQRDWNRWEKIXKV-CYBMUJFWSA-N 2 0 228.380 1.471 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414843946 386767390 /nfs/dbraw/zinc/76/73/90/386767390.db2.gz DALWGSVMGQWHOF-FRRDWIJNSA-N 3 0 225.380 1.106 20 0 BDADRP CC[C@H]([NH3+])C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417831771 386792690 /nfs/dbraw/zinc/79/26/90/386792690.db2.gz KVQNRECUZOGDIA-STQMWFEESA-N 2 0 249.358 1.320 20 0 BDADRP CO[C@@H]1C[C@@H]([NH2+][C@@H](C)CCC[NH3+])C1(C)C ZINC000336666616 386779282 /nfs/dbraw/zinc/77/92/82/386779282.db2.gz DPHQNXJBSMYANW-HBNTYKKESA-N 2 0 214.353 1.517 20 0 BDADRP Cc1ccc2ncc(C[NH2+]C[C@H](O)C3CC3)n2c1 ZINC000269326901 386779943 /nfs/dbraw/zinc/77/99/43/386779943.db2.gz AEDZMQKRVHDNGI-ZDUSSCGKSA-N 2 0 245.326 1.503 20 0 BDADRP CCc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)on1 ZINC000647785613 386788388 /nfs/dbraw/zinc/78/83/88/386788388.db2.gz CFSVOVRYCWPIJI-GMXVVIOVSA-N 2 0 249.358 1.715 20 0 BDADRP Cc1cnc(CNC[C@@H](C)[N@H+](C)C2CC2)n1C ZINC000341038819 386824895 /nfs/dbraw/zinc/82/48/95/386824895.db2.gz CYKFPJLVZHUXTI-SNVBAGLBSA-N 2 0 236.363 1.301 20 0 BDADRP CC[C@H]1C[C@@H](C[NH2+]C2(C)CC[NH2+]CC2)CCO1 ZINC000414936118 386821025 /nfs/dbraw/zinc/82/10/25/386821025.db2.gz GOPQDPZPZPODIV-STQMWFEESA-N 2 0 240.391 1.923 20 0 BDADRP CO[C@@H]1CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000336672912 386823194 /nfs/dbraw/zinc/82/31/94/386823194.db2.gz GRAAHXJAGRGING-SDDRHHMPSA-N 2 0 214.353 1.661 20 0 BDADRP COC[C@]1(C[NH2+]C2CCSCC2)CCC[NH2+]1 ZINC000414934629 386797740 /nfs/dbraw/zinc/79/77/40/386797740.db2.gz ABUUTCWEQLWHIA-GFCCVEGCSA-N 2 0 244.404 1.240 20 0 BDADRP [NH3+]C1(CNC[C@@H]2CCC[NH2+]C2)CCCCC1 ZINC000414846026 386810024 /nfs/dbraw/zinc/81/00/24/386810024.db2.gz RXHHPWFUSVTBFF-GFCCVEGCSA-N 2 0 225.380 1.237 20 0 BDADRP C[C@@H](C[NH2+][C@@H]1CCOC1(C)C)C[NH+]1CCCC1 ZINC000328275053 386841506 /nfs/dbraw/zinc/84/15/06/386841506.db2.gz XMTGTWIUZOZKDS-QWHCGFSZSA-N 2 0 240.391 1.875 20 0 BDADRP CO[C@H]1C[C@@H]([NH2+]C2CCN(C)CC2)C12CCC2 ZINC000308389205 386894065 /nfs/dbraw/zinc/89/40/65/386894065.db2.gz ICLYVSWTGUJJRB-OLZOCXBDSA-N 2 0 238.375 1.628 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2O)c2ccccc21 ZINC000331598208 386874144 /nfs/dbraw/zinc/87/41/44/386874144.db2.gz NXFMYDPCONJKEE-AAVRWANBSA-N 2 0 232.327 1.634 20 0 BDADRP Cc1ncc(CN[C@H](C)C[NH3+])n1-c1ccccc1 ZINC000414940191 386877389 /nfs/dbraw/zinc/87/73/89/386877389.db2.gz ZHGMMKTZFQTQTL-LLVKDONJSA-N 2 0 244.342 1.618 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000331645888 386878687 /nfs/dbraw/zinc/87/86/87/386878687.db2.gz UQAYDIWPYCUSDR-OADPDTJPSA-N 2 0 245.370 1.848 20 0 BDADRP CC1(C)CCC[NH2+][C@@H]1CNC1CC[NH2+]CC1 ZINC000334862215 386914830 /nfs/dbraw/zinc/91/48/30/386914830.db2.gz JCEVUZOKSKNVFQ-GFCCVEGCSA-N 2 0 225.380 1.106 20 0 BDADRP OC1CCC([NH2+]Cc2ccc3c[nH+]cn3c2)CC1 ZINC000334871343 386932696 /nfs/dbraw/zinc/93/26/96/386932696.db2.gz UUDJOHORQBJTRF-UHFFFAOYSA-N 2 0 245.326 1.727 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H](C)[C@H](C)[NH3+] ZINC000332001080 386938383 /nfs/dbraw/zinc/93/83/83/386938383.db2.gz OOIWFZIOLQPEFJ-XQHKEYJVSA-N 2 0 227.396 1.623 20 0 BDADRP [NH3+]CCC[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000334879403 386940657 /nfs/dbraw/zinc/94/06/57/386940657.db2.gz BMFPZHILGMEKGM-LBPRGKRZSA-N 2 0 212.337 1.228 20 0 BDADRP [NH3+]CCC[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000334879401 386941364 /nfs/dbraw/zinc/94/13/64/386941364.db2.gz BMFPZHILGMEKGM-GFCCVEGCSA-N 2 0 212.337 1.228 20 0 BDADRP Cc1ccncc1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000162185651 386944487 /nfs/dbraw/zinc/94/44/87/386944487.db2.gz HAZAJAFZTPCXKB-NEPJUHHUSA-N 2 0 219.332 1.559 20 0 BDADRP C[C@H](O)C[C@H](C)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000398703512 386956445 /nfs/dbraw/zinc/95/64/45/386956445.db2.gz XSRJZZRGTQWPGN-CYDGBPFRSA-N 2 0 228.380 1.501 20 0 BDADRP CCOCC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000368313519 386958432 /nfs/dbraw/zinc/95/84/32/386958432.db2.gz DCMUZXCAYNVYIF-LBPRGKRZSA-N 2 0 212.337 1.051 20 0 BDADRP C[C@@](O)(C[NH2+]C1CCC(C[NH3+])CC1)C1CC1 ZINC000332138411 386962894 /nfs/dbraw/zinc/96/28/94/386962894.db2.gz GGHVRLFNFPPANM-KGPNIALWSA-N 2 0 226.364 1.255 20 0 BDADRP CS[C@H]1CC[C@H]1[NH2+]CCCC[NH+](C)C ZINC000425357277 386968208 /nfs/dbraw/zinc/96/82/08/386968208.db2.gz PYGIBIRHUNDGNP-MNOVXSKESA-N 2 0 216.394 1.812 20 0 BDADRP Cc1c[nH+]ccc1N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000162200050 386974010 /nfs/dbraw/zinc/97/40/10/386974010.db2.gz ZHEDRFSBMFYZBX-MNOVXSKESA-N 2 0 205.305 1.564 20 0 BDADRP CO[C@]1(C)C[C@H]([NH2+][C@H]2CN(C)C[C@@H]2C)C1(C)C ZINC000358396811 386948479 /nfs/dbraw/zinc/94/84/79/386948479.db2.gz JSXVSGDFKHZAAA-ZJQBRPOHSA-N 2 0 240.391 1.730 20 0 BDADRP Cc1cnccc1NC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000334821297 386949082 /nfs/dbraw/zinc/94/90/82/386949082.db2.gz MJWSECCXRXSZPX-MNOVXSKESA-N 2 0 248.330 1.061 20 0 BDADRP C[C@H]1CCCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000334965855 387046616 /nfs/dbraw/zinc/04/66/16/387046616.db2.gz ADEPKUJDKYIKEJ-ZDUSSCGKSA-N 2 0 225.380 1.014 20 0 BDADRP CCC[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000334968183 387051428 /nfs/dbraw/zinc/05/14/28/387051428.db2.gz LWBJKXZIGFARQD-QWHCGFSZSA-N 2 0 226.364 1.615 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000333830643 387057663 /nfs/dbraw/zinc/05/76/63/387057663.db2.gz MNAQASUQEGHWEO-RWMBFGLXSA-N 3 0 225.380 1.093 20 0 BDADRP CC[C@H](C)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000334981537 387067430 /nfs/dbraw/zinc/06/74/30/387067430.db2.gz RMGLNTYCFYALBV-RYUDHWBXSA-N 2 0 226.364 1.472 20 0 BDADRP C[C@@H]1C[C@@H](C[N@H+](C)C[C@@H]2CCOC2)CC[NH2+]1 ZINC000398890660 387012941 /nfs/dbraw/zinc/01/29/41/387012941.db2.gz MQLWUQHKMKDAMC-AGIUHOORSA-N 2 0 226.364 1.343 20 0 BDADRP CCCC[C@@H](C[NH3+])N[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423299727 387130175 /nfs/dbraw/zinc/13/01/75/387130175.db2.gz QNUKOQQPPMUKEG-RWMBFGLXSA-N 2 0 227.396 1.624 20 0 BDADRP Cc1ccnc([C@H](C)[NH2+]C[C@@H](C)C[NH3+])c1 ZINC000423299289 387130179 /nfs/dbraw/zinc/13/01/79/387130179.db2.gz BPXDKBRMLGHZQV-QWRGUYRKSA-N 2 0 207.321 1.635 20 0 BDADRP c1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)on1 ZINC000334981617 387068680 /nfs/dbraw/zinc/06/86/80/387068680.db2.gz UQYYYRXMIHIXJH-RYUDHWBXSA-N 2 0 235.331 1.496 20 0 BDADRP C[NH+](C)C[C@]1(O)CCC[N@H+](CCCCF)C1 ZINC000639766904 387071460 /nfs/dbraw/zinc/07/14/60/387071460.db2.gz PQHRAWOUPDCKEM-GFCCVEGCSA-N 2 0 232.343 1.125 20 0 BDADRP CC[C@@H](C)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370638516 387130554 /nfs/dbraw/zinc/13/05/54/387130554.db2.gz XZYWYFMBFAXMOC-OLZOCXBDSA-N 2 0 239.407 1.543 20 0 BDADRP C[C@H]([NH3+])c1ccc(C(=O)NCCC[NH+](C)C)cc1 ZINC000423298868 387130597 /nfs/dbraw/zinc/13/05/97/387130597.db2.gz PATKRGZPUHMNED-NSHDSACASA-N 2 0 249.358 1.388 20 0 BDADRP C[C@@H]1CCC[C@@H]([NH2+]C[C@@](C)(O)C[NH+](C)C)C1 ZINC000228138387 387078098 /nfs/dbraw/zinc/07/80/98/387078098.db2.gz BZXPSSROKQXMKQ-JHJVBQTASA-N 2 0 228.380 1.467 20 0 BDADRP CCc1ccc(CC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000359326166 387084432 /nfs/dbraw/zinc/08/44/32/387084432.db2.gz WZPRHYYPFSEPKD-HOTGVXAUSA-N 2 0 244.382 1.943 20 0 BDADRP Cc1cnn(CC[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000334996175 387088725 /nfs/dbraw/zinc/08/87/25/387088725.db2.gz LAGIJXKSIZUQFZ-UHFFFAOYSA-N 2 0 248.374 1.267 20 0 BDADRP C[NH2+]CCC[NH2+]Cc1cccc2cccnc21 ZINC000228395315 387093373 /nfs/dbraw/zinc/09/33/73/387093373.db2.gz ZJKNGQFUVJPJNC-UHFFFAOYSA-N 2 0 229.327 1.934 20 0 BDADRP C[N@@H+]1CCCC(C)(C)[C@H]1CN[C@H]1CC[NH2+]C1 ZINC000335008953 387102153 /nfs/dbraw/zinc/10/21/53/387102153.db2.gz FKCJYXLMGBBTFM-NWDGAFQWSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@H]([NH2+]C1CC(C)(F)C1)[C@@H]1CC[NH2+]C1 ZINC000335007524 387102985 /nfs/dbraw/zinc/10/29/85/387102985.db2.gz PUYGNHBEJQBGDV-IZUQBHJASA-N 2 0 200.301 1.465 20 0 BDADRP C[C@H]([NH2+]C1CC(C)(F)C1)[C@H]1CC[NH2+]C1 ZINC000335007528 387103539 /nfs/dbraw/zinc/10/35/39/387103539.db2.gz PUYGNHBEJQBGDV-SAAXCQNUSA-N 2 0 200.301 1.465 20 0 BDADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC1CC[NH2+]CC1 ZINC000335009773 387105131 /nfs/dbraw/zinc/10/51/31/387105131.db2.gz IIIBIYLMECTBLV-CYBMUJFWSA-N 2 0 239.407 1.448 20 0 BDADRP CN(C[C@H](O)C[N@H+](C)[C@@H]1CC1(C)C)C1CC1 ZINC000352365139 387112836 /nfs/dbraw/zinc/11/28/36/387112836.db2.gz NOHDYTIHTFZISF-NWDGAFQWSA-N 2 0 226.364 1.172 20 0 BDADRP C([NH2+]C1CC[NH2+]CC1)[C@@H]1CC12CCSCC2 ZINC000335026475 387118034 /nfs/dbraw/zinc/11/80/34/387118034.db2.gz BLQWQBZSVQTEJF-NSHDSACASA-N 2 0 240.416 1.861 20 0 BDADRP CCC1CCC([NH2+]C[C@@](C)(O)C[NH+](C)C)CC1 ZINC000228725281 387120940 /nfs/dbraw/zinc/12/09/40/387120940.db2.gz POOROEFRRQJVAB-JXQTWKCFSA-N 2 0 242.407 1.857 20 0 BDADRP C[NH+]1CCC(N[C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000335029061 387121940 /nfs/dbraw/zinc/12/19/40/387121940.db2.gz LOUVCIXUTKASBM-QWHCGFSZSA-N 2 0 225.380 1.330 20 0 BDADRP C[NH+](C)C[C@@](C)(O)C[NH2+]CC1CCCCCC1 ZINC000228723733 387122493 /nfs/dbraw/zinc/12/24/93/387122493.db2.gz PKAOJCLQWHSVIH-AWEZNQCLSA-N 2 0 242.407 1.859 20 0 BDADRP COc1ccccc1C[C@@H](C)[NH2+]CC1C[NH2+]C1 ZINC000423306217 387142366 /nfs/dbraw/zinc/14/23/66/387142366.db2.gz SPAJSHGHBSUFEI-LLVKDONJSA-N 2 0 234.343 1.435 20 0 BDADRP CC(C)CO[C@@H]1C[C@H]([NH2+]CC2C[NH2+]C2)C1(C)C ZINC000423308726 387143590 /nfs/dbraw/zinc/14/35/90/387143590.db2.gz YETWKPJZENARCB-QWHCGFSZSA-N 2 0 240.391 1.635 20 0 BDADRP CCC[NH2+]CC[NH2+][C@H](C)CCCC[NH3+] ZINC000423310498 387145968 /nfs/dbraw/zinc/14/59/68/387145968.db2.gz NOGBHZZOLVSOIB-LLVKDONJSA-N 2 0 201.358 1.093 20 0 BDADRP CCC[NH2+]CCN[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000423312176 387148157 /nfs/dbraw/zinc/14/81/57/387148157.db2.gz RKDYXFSBQPJKTA-VXGBXAGGSA-N 2 0 225.380 1.201 20 0 BDADRP CCC[NH2+]CCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000423312613 387152075 /nfs/dbraw/zinc/15/20/75/387152075.db2.gz SCQMUXGCRVXXMB-RYUDHWBXSA-N 2 0 213.369 1.236 20 0 BDADRP [NH3+][C@H](C[NH2+][C@@H](C1CC1)C1CCC1)C1CC1 ZINC000423314094 387155171 /nfs/dbraw/zinc/15/51/71/387155171.db2.gz GMQGYZRTMPLFJA-CHWSQXEVSA-N 2 0 208.349 1.892 20 0 BDADRP COCC1CCC([NH2+]C[C@H](C)C[NH3+])CC1 ZINC000423314354 387155193 /nfs/dbraw/zinc/15/51/93/387155193.db2.gz YHGYVGGCQFXFBS-VOMCLLRMSA-N 2 0 214.353 1.376 20 0 BDADRP C(C[C@H]1CC[NH2+]C1)SCC1CC[NH2+]CC1 ZINC000571759495 387161064 /nfs/dbraw/zinc/16/10/64/387161064.db2.gz UDEZEEYUIHXXHZ-LLVKDONJSA-N 2 0 228.405 1.719 20 0 BDADRP CC(C)[NH2+]CCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000571753037 387162231 /nfs/dbraw/zinc/16/22/31/387162231.db2.gz NDRBLOIIARKPNC-UHFFFAOYSA-N 3 0 227.396 1.482 20 0 BDADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000423321487 387166172 /nfs/dbraw/zinc/16/61/72/387166172.db2.gz GELAOQLSDBMPAU-NEPJUHHUSA-N 2 0 226.364 1.533 20 0 BDADRP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000423324333 387168822 /nfs/dbraw/zinc/16/88/22/387168822.db2.gz BBJDSJXFPFBRLE-FRRDWIJNSA-N 2 0 226.364 1.391 20 0 BDADRP C[C@H](Cc1ccoc1)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423330142 387172622 /nfs/dbraw/zinc/17/26/22/387172622.db2.gz TYDNHCHGUTZCRA-BXKDBHETSA-N 2 0 208.305 1.538 20 0 BDADRP C([NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)[C@@H]1CC[NH2+]C1 ZINC000423329906 387173238 /nfs/dbraw/zinc/17/32/38/387173238.db2.gz FOUJEODIFJIARY-FVCCEPFGSA-N 2 0 236.359 1.143 20 0 BDADRP C[C@H](C[NH3+])N[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423330448 387176745 /nfs/dbraw/zinc/17/67/45/387176745.db2.gz PEZLAROCORIAFY-FVCCEPFGSA-N 2 0 225.380 1.234 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]([NH3+])C2CC2)C12CCC2 ZINC000423333080 387178955 /nfs/dbraw/zinc/17/89/55/387178955.db2.gz VJMKPCFTHSFYCA-JHJVBQTASA-N 2 0 238.375 1.661 20 0 BDADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCCC[NH3+])[C@@H]1C ZINC000423335026 387181468 /nfs/dbraw/zinc/18/14/68/387181468.db2.gz TVELBITVGPFMFQ-GRYCIOLGSA-N 2 0 242.363 1.293 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2(C)CC[NH2+]CC2)[C@H](C)O1 ZINC000423335772 387183399 /nfs/dbraw/zinc/18/33/99/387183399.db2.gz RYSTYFOXFRLAKA-WOPDTQHZSA-N 2 0 226.364 1.532 20 0 BDADRP Cc1cncc([C@@H](C)[NH2+]CCCC[NH3+])c1 ZINC000423341952 387191193 /nfs/dbraw/zinc/19/11/93/387191193.db2.gz YKBKFRYCZWMSIQ-LLVKDONJSA-N 2 0 207.321 1.780 20 0 BDADRP C[N@@H+]1CC[C@H](N[C@H]2CCC[NH2+]C2)[C@@H]2CCC[C@@H]21 ZINC000423300478 387132811 /nfs/dbraw/zinc/13/28/11/387132811.db2.gz DYJPYWUVRHCKHM-XUXIUFHCSA-N 2 0 237.391 1.201 20 0 BDADRP Cc1cccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000088287730 387138465 /nfs/dbraw/zinc/13/84/65/387138465.db2.gz ZTRMXFFQNWDZHM-OKILXGFUSA-N 2 0 216.328 1.646 20 0 BDADRP C[C@H](CCc1ccccc1)[NH2+]CC1C[NH2+]C1 ZINC000423305312 387138969 /nfs/dbraw/zinc/13/89/69/387138969.db2.gz QNTUMLUZXYSAJL-GFCCVEGCSA-N 2 0 218.344 1.817 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423354742 387205313 /nfs/dbraw/zinc/20/53/13/387205313.db2.gz GQNKVJXUSIRYBK-MJBXVCDLSA-N 2 0 240.391 1.923 20 0 BDADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000423356678 387206919 /nfs/dbraw/zinc/20/69/19/387206919.db2.gz RDJUYZOESFTFKX-KBPBESRZSA-N 2 0 238.375 1.701 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423427128 387252663 /nfs/dbraw/zinc/25/26/63/387252663.db2.gz IEIXUYWTQBLZTN-UPJWGTAASA-N 3 0 227.396 1.624 20 0 BDADRP CCOC[C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423361119 387214085 /nfs/dbraw/zinc/21/40/85/387214085.db2.gz LXWDRBGYYOLSAM-BFHYXJOUSA-N 2 0 240.391 1.923 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423368578 387220251 /nfs/dbraw/zinc/22/02/51/387220251.db2.gz SBZATRJQROHLRZ-GMTAPVOTSA-N 2 0 200.326 1.142 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423367797 387222002 /nfs/dbraw/zinc/22/20/02/387222002.db2.gz RKPKLHJBXHHITC-XJFOESAGSA-N 2 0 239.407 1.447 20 0 BDADRP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1(C)C ZINC000423370966 387223602 /nfs/dbraw/zinc/22/36/02/387223602.db2.gz GEDGWHPSLMONSC-RXGFPQBGSA-N 2 0 240.391 1.905 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000423369408 387224952 /nfs/dbraw/zinc/22/49/52/387224952.db2.gz BXZRWJJVZZYZOD-RFGFWPKPSA-N 2 0 240.391 1.922 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+][C@H](C)CCCOC ZINC000423372982 387226013 /nfs/dbraw/zinc/22/60/13/387226013.db2.gz GMWLVPKJRJDYBB-GHMZBOCLSA-N 2 0 202.342 1.389 20 0 BDADRP CC(C)CC[C@@H]1CCC[N@@H+]1CCOCC[NH3+] ZINC000572048687 387226840 /nfs/dbraw/zinc/22/68/40/387226840.db2.gz NIPFFLIKZHOCBT-ZDUSSCGKSA-N 2 0 228.380 1.862 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423425478 387253334 /nfs/dbraw/zinc/25/33/34/387253334.db2.gz GUSFZPZFMTXWLU-SRVKXCTJSA-N 3 0 213.369 1.234 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)CC(N)=O ZINC000120330414 387232787 /nfs/dbraw/zinc/23/27/87/387232787.db2.gz GTIYXGWQUUVPDP-VXGBXAGGSA-N 2 0 243.395 1.350 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cccc(CO)c1 ZINC000423400177 387234305 /nfs/dbraw/zinc/23/43/05/387234305.db2.gz WMNRMZIHKHOEQI-XUJVJEKNSA-N 2 0 248.370 1.970 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000336410453 387238346 /nfs/dbraw/zinc/23/83/46/387238346.db2.gz DEUODDCTJJCSQY-GXFFZTMASA-N 2 0 244.342 1.732 20 0 BDADRP COC[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)C(C)C ZINC000423403577 387241492 /nfs/dbraw/zinc/24/14/92/387241492.db2.gz YOZMGIPTIBMQMM-WOPDTQHZSA-N 2 0 214.353 1.388 20 0 BDADRP C[C@H](O)CCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353610547 387241703 /nfs/dbraw/zinc/24/17/03/387241703.db2.gz WRTGAISBWUGYTQ-DGAVXFQQSA-N 2 0 240.391 1.610 20 0 BDADRP COC[C@]1(C[NH2+][C@H](C)[C@@H]2C[C@H]2C)CCC[NH2+]1 ZINC000423409504 387244853 /nfs/dbraw/zinc/24/48/53/387244853.db2.gz BTIAYOVZBJUFKD-FDYHWXHSSA-N 2 0 226.364 1.389 20 0 BDADRP CC[C@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)[C@H]1C[C@@H]1C ZINC000423415827 387248756 /nfs/dbraw/zinc/24/87/56/387248756.db2.gz PMPUPTOYFXXADI-XUXIUFHCSA-N 2 0 240.391 1.779 20 0 BDADRP COCCC[C@@H](C)[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000423419188 387249427 /nfs/dbraw/zinc/24/94/27/387249427.db2.gz IILIUMWRRROLMX-OLZOCXBDSA-N 2 0 244.379 1.160 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CCO1 ZINC000423423060 387250455 /nfs/dbraw/zinc/25/04/55/387250455.db2.gz LUCZFSJMIVUHOU-SYQHCUMBSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ccco1 ZINC000423346423 387194446 /nfs/dbraw/zinc/19/44/46/387194446.db2.gz PDPDLNCLLDHXNQ-SNVBAGLBSA-N 2 0 206.289 1.850 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423463319 387310463 /nfs/dbraw/zinc/31/04/63/387310463.db2.gz FOMJYNDSWSSLNB-XQHKEYJVSA-N 3 0 225.380 1.221 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000423462739 387310782 /nfs/dbraw/zinc/31/07/82/387310782.db2.gz DZRHFTORSDOHBL-XUXIUFHCSA-N 3 0 239.407 1.611 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@H]1C ZINC000423464442 387312901 /nfs/dbraw/zinc/31/29/01/387312901.db2.gz LZUFGLWQBXLJDE-NOOOWODRSA-N 2 0 242.363 1.291 20 0 BDADRP CC[C@H]([NH3+])CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423472923 387319110 /nfs/dbraw/zinc/31/91/10/387319110.db2.gz QLDZVZWSNNVZIZ-IGQOVBAYSA-N 2 0 239.407 1.624 20 0 BDADRP C[C@@H]1C[C@@H](N[C@H]2C[NH2+]CCC2(F)F)CC[N@@H+]1C ZINC000423467225 387315903 /nfs/dbraw/zinc/31/59/03/387315903.db2.gz DIGOQQMMMBLXTR-VWYCJHECSA-N 2 0 247.333 1.056 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@@H]1CCOC ZINC000423470442 387316275 /nfs/dbraw/zinc/31/62/75/387316275.db2.gz PJGPWKLGZYDJGP-GRYCIOLGSA-N 2 0 214.353 1.519 20 0 BDADRP C1CC2(CCCC2)[C@@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423428976 387254352 /nfs/dbraw/zinc/25/43/52/387254352.db2.gz JTDRCRZYRJQKPP-KXNHARMFSA-N 2 0 206.333 1.517 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CCCO1 ZINC000423429300 387255526 /nfs/dbraw/zinc/25/55/26/387255526.db2.gz SIHADAMQLYVWKR-XUXIUFHCSA-N 2 0 240.391 1.909 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423470284 387317032 /nfs/dbraw/zinc/31/70/32/387317032.db2.gz DBRBZIBARFTIHM-YNEHKIRRSA-N 3 0 225.380 1.236 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C12CCC2 ZINC000423379482 387262624 /nfs/dbraw/zinc/26/26/24/387262624.db2.gz XSXGOUCRDMBCGN-QNWHQSFQSA-N 2 0 238.375 1.804 20 0 BDADRP COCC1CCC([NH2+][C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000423382192 387265682 /nfs/dbraw/zinc/26/56/82/387265682.db2.gz OCLWRKZSQTVNCN-RYSNWHEDSA-N 2 0 240.391 1.922 20 0 BDADRP CC[NH2+][C@H](C)CN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000423382985 387266445 /nfs/dbraw/zinc/26/64/45/387266445.db2.gz OYNGGDVOYOWKMR-IJLUTSLNSA-N 2 0 213.369 1.057 20 0 BDADRP CC[NH2+][C@H](C)CN[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000423385211 387269046 /nfs/dbraw/zinc/26/90/46/387269046.db2.gz QQBNQVDZHPPKJD-IJLUTSLNSA-N 2 0 225.380 1.199 20 0 BDADRP COC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)C1CCCC1 ZINC000423386497 387271445 /nfs/dbraw/zinc/27/14/45/387271445.db2.gz SAGLCSGRKJQSJA-BNOWGMLFSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCC[NH2+][C@H]1C ZINC000423390695 387275957 /nfs/dbraw/zinc/27/59/57/387275957.db2.gz KEMNOLPVDIFXGG-RGDJUOJXSA-N 2 0 239.407 1.445 20 0 BDADRP CC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccn(C)n1 ZINC000423431981 387283544 /nfs/dbraw/zinc/28/35/44/387283544.db2.gz MDJIQJRULOKEFP-NWDGAFQWSA-N 2 0 238.379 1.978 20 0 BDADRP Cn1cncc1CCCN1CCC=C(F)C1 ZINC000514738484 387284560 /nfs/dbraw/zinc/28/45/60/387284560.db2.gz ZQAAWEUMZJRKLP-UHFFFAOYSA-N 2 0 223.295 1.912 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)[C@H](C)O1 ZINC000423436472 387285995 /nfs/dbraw/zinc/28/59/95/387285995.db2.gz ZXPWPCCSLAUGFT-XVIXHAIJSA-N 2 0 240.391 1.907 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[C@@H](C[NH3+])CC1 ZINC000423436499 387286048 /nfs/dbraw/zinc/28/60/48/387286048.db2.gz ZZFTXLXZRNVQEB-XDQVBPFNSA-N 3 0 239.407 1.469 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)[C@H](C)O1 ZINC000423436470 387287021 /nfs/dbraw/zinc/28/70/21/387287021.db2.gz ZXPWPCCSLAUGFT-ITGHMWBKSA-N 2 0 240.391 1.907 20 0 BDADRP C1CC([C@H]2CC[C@H]2[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000423469137 387318142 /nfs/dbraw/zinc/31/81/42/387318142.db2.gz YNDCKTUWZDAIST-LBELIVKGSA-N 2 0 206.333 1.373 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423469708 387318153 /nfs/dbraw/zinc/31/81/53/387318153.db2.gz DBRBZIBARFTIHM-RWMBFGLXSA-N 3 0 225.380 1.236 20 0 BDADRP CC(C)(O)C[NH2+][C@H]1CCN(C2CCCC2)C1 ZINC000514825484 387289295 /nfs/dbraw/zinc/28/92/95/387289295.db2.gz XEZSUSLQXSPSMS-NSHDSACASA-N 2 0 226.364 1.364 20 0 BDADRP C[C@@H]1CC[C@H](C)[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000423440957 387289651 /nfs/dbraw/zinc/28/96/51/387289651.db2.gz XTSZMUIPCUWLPO-XARVFOJUSA-N 2 0 208.349 1.619 20 0 BDADRP C[N@H+](CCOCC1CC1)C[C@@H]1CCC[NH+](C)C1 ZINC000121032965 387290618 /nfs/dbraw/zinc/29/06/18/387290618.db2.gz PCGLIITUDOJJJF-CQSZACIVSA-N 2 0 240.391 1.687 20 0 BDADRP C[C@H](C[C@H]1CCOC1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000643461974 387295566 /nfs/dbraw/zinc/29/55/66/387295566.db2.gz IICODKLRDQKENP-LPWJVIDDSA-N 2 0 226.364 1.532 20 0 BDADRP CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423446689 387295542 /nfs/dbraw/zinc/29/55/42/387295542.db2.gz YVXBOWIOWQNCME-BNDIWNMDSA-N 2 0 208.349 1.763 20 0 BDADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000423448934 387297153 /nfs/dbraw/zinc/29/71/53/387297153.db2.gz QVXJDTOPYYFKRQ-HGCLJGPKSA-N 2 0 224.348 1.269 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@H](C)CC(=O)Nc1ccccc1 ZINC000423458129 387306482 /nfs/dbraw/zinc/30/64/82/387306482.db2.gz GJQLGRMPHVNMNJ-NEPJUHHUSA-N 2 0 249.358 1.731 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@@H](C)C1CCSCC1 ZINC000423457444 387306955 /nfs/dbraw/zinc/30/69/55/387306955.db2.gz FRVNQBCVYRSCCW-GXSJLCMTSA-N 2 0 216.394 1.845 20 0 BDADRP C[C@@H]1C[C@H](NC[C@H]2CCCC[NH2+]2)C[N@@H+]1C1CC1 ZINC000643501584 387356228 /nfs/dbraw/zinc/35/62/28/387356228.db2.gz LLYREGGCYPXKEL-UPJWGTAASA-N 2 0 237.391 1.343 20 0 BDADRP C[C@H]1C[C@H](NCCC[NH2+]C2CC2)C[N@@H+]1C1CC1 ZINC000423530344 387358046 /nfs/dbraw/zinc/35/80/46/387358046.db2.gz RCRZALNDGWIEDD-AAEUAGOBSA-N 2 0 237.391 1.343 20 0 BDADRP COC[C@H]([NH2+]CCC1=CC[NH2+]CC1)C1CC1 ZINC000423535379 387361412 /nfs/dbraw/zinc/36/14/12/387361412.db2.gz CVUOVVXVQPMLHE-ZDUSSCGKSA-N 2 0 224.348 1.311 20 0 BDADRP CCn1ccnc1[C@@H](C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423537701 387362978 /nfs/dbraw/zinc/36/29/78/387362978.db2.gz KQSNHODGUFTTJU-GFCCVEGCSA-N 2 0 248.374 1.863 20 0 BDADRP CC[C@H](COC)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423536936 387363705 /nfs/dbraw/zinc/36/37/05/387363705.db2.gz IRNMSVKJMVUCAW-GFCCVEGCSA-N 2 0 212.337 1.311 20 0 BDADRP C[C@@H](NCCC[NH2+]C1CC1)c1c[nH+]ccc1N ZINC000423546592 387369661 /nfs/dbraw/zinc/36/96/61/387369661.db2.gz FNUWKLGGACCTEB-SNVBAGLBSA-N 3 0 234.347 1.287 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC12CCSCC2 ZINC000423547660 387370466 /nfs/dbraw/zinc/37/04/66/387370466.db2.gz LROFVRLFICQSCO-IJLUTSLNSA-N 2 0 240.416 1.989 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1Cc2ccccc21 ZINC000643453509 387370611 /nfs/dbraw/zinc/37/06/11/387370611.db2.gz IWYBRKNWPRUGLL-YUTCNCBUSA-N 2 0 216.328 1.796 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCC[NH2+]1 ZINC000423545689 387370779 /nfs/dbraw/zinc/37/07/79/387370779.db2.gz JWOHOCNZLLZDIM-QSLWVIQJSA-N 3 0 237.391 1.105 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCC[NH2+]1 ZINC000423545682 387370976 /nfs/dbraw/zinc/37/09/76/387370976.db2.gz JWOHOCNZLLZDIM-MEBFFEOJSA-N 3 0 237.391 1.105 20 0 BDADRP C[C@H](NCCC[NH2+]C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000423551640 387372235 /nfs/dbraw/zinc/37/22/35/387372235.db2.gz JFMLJTOMVLRDCQ-AAEUAGOBSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[NH2+]C2)CCO1 ZINC000423554181 387373424 /nfs/dbraw/zinc/37/34/24/387373424.db2.gz LHVCTVROANZZRO-IJLUTSLNSA-N 2 0 212.337 1.286 20 0 BDADRP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc(C)n1 ZINC000423561317 387377971 /nfs/dbraw/zinc/37/79/71/387377971.db2.gz VSFZWIWJQAWKMK-ZIAGYGMSSA-N 2 0 233.359 1.915 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)[C@@H]1CCOC1 ZINC000423572639 387381280 /nfs/dbraw/zinc/38/12/80/387381280.db2.gz YMQRESVQEGRMPD-UPJWGTAASA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000643462873 387320710 /nfs/dbraw/zinc/32/07/10/387320710.db2.gz PXONHHBTUQVDBE-MRVWCRGKSA-N 2 0 237.391 1.058 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423475567 387322650 /nfs/dbraw/zinc/32/26/50/387322650.db2.gz QAYBHAZCRCHLJR-WHOHXGKFSA-N 2 0 214.353 1.517 20 0 BDADRP C[C@@H](N[C@@H]1C[NH2+]CCC1(F)F)[C@H]1CCCC[NH2+]1 ZINC000423474860 387322796 /nfs/dbraw/zinc/32/27/96/387322796.db2.gz HTRDWWIACRSSGL-GMTAPVOTSA-N 2 0 247.333 1.104 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423479292 387325980 /nfs/dbraw/zinc/32/59/80/387325980.db2.gz MBZVQRLMNWPVCH-HZSPNIEDSA-N 3 0 239.407 1.496 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423479295 387325999 /nfs/dbraw/zinc/32/59/99/387325999.db2.gz MBZVQRLMNWPVCH-MGPQQGTHSA-N 3 0 239.407 1.496 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1cnccc1N ZINC000423483736 387328419 /nfs/dbraw/zinc/32/84/19/387328419.db2.gz ZBRUESCJTNAFEQ-TUAOUCFPSA-N 2 0 248.374 1.662 20 0 BDADRP C[C@@H]1CCNC[C@@H]1[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000423483715 387328566 /nfs/dbraw/zinc/32/85/66/387328566.db2.gz YXRWJZUIVUHWJQ-VOAKCMCISA-N 2 0 225.380 1.092 20 0 BDADRP CCN1C[C@H](C)[C@H]([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000423485659 387330559 /nfs/dbraw/zinc/33/05/59/387330559.db2.gz BBXRHCYWUSOAOR-UMSGYPCISA-N 2 0 225.380 1.044 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@H]2C[C@@H]2C)C1 ZINC000321957015 387334082 /nfs/dbraw/zinc/33/40/82/387334082.db2.gz XXFGLYWWJITQGQ-LOWDOPEQSA-N 2 0 210.365 1.962 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1cncc(F)c1 ZINC000423488823 387334228 /nfs/dbraw/zinc/33/42/28/387334228.db2.gz FAVVODIXZPYANT-KWBADKCTSA-N 2 0 237.322 1.999 20 0 BDADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C1 ZINC000423492546 387335278 /nfs/dbraw/zinc/33/52/78/387335278.db2.gz NODGROTYBCBVJY-ZOBORPQBSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000423490617 387335714 /nfs/dbraw/zinc/33/57/14/387335714.db2.gz IHPYPGRVHANSAZ-KSTCHIGDSA-N 3 0 239.407 1.432 20 0 BDADRP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000423493349 387335765 /nfs/dbraw/zinc/33/57/65/387335765.db2.gz BGDJIFRKVSFZBZ-FQUUOJAGSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000423490618 387335971 /nfs/dbraw/zinc/33/59/71/387335971.db2.gz IHPYPGRVHANSAZ-POQQGIQPSA-N 3 0 239.407 1.432 20 0 BDADRP C[C@H](CC(C)(C)C)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423495740 387338339 /nfs/dbraw/zinc/33/83/39/387338339.db2.gz VEGBYMBAEREAIX-VXGBXAGGSA-N 2 0 228.380 1.779 20 0 BDADRP COC[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)C1CCCC1 ZINC000423506921 387346076 /nfs/dbraw/zinc/34/60/76/387346076.db2.gz MRAVGSOZRDISIG-BNOWGMLFSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H]1CN([C@@H]2CC[N@H+](C)C[C@@H]2C)C[C@@]1(C)C[NH3+] ZINC000423516344 387350145 /nfs/dbraw/zinc/35/01/45/387350145.db2.gz WPEGXRKVEWMARA-REWJHTLYSA-N 3 0 239.407 1.243 20 0 BDADRP C[C@@H]([NH2+]CCCn1ccnc1)[C@@H]1CCC[NH2+]1 ZINC000400643749 387350222 /nfs/dbraw/zinc/35/02/22/387350222.db2.gz OOQRYQCBSHNKFK-NEPJUHHUSA-N 2 0 222.336 1.003 20 0 BDADRP C[C@@H](N[C@H](C[NH3+])C1CCCC1)[C@H]1CCC[NH2+]1 ZINC000423517408 387351273 /nfs/dbraw/zinc/35/12/73/387351273.db2.gz YQFVVHOYYZGFHA-RAIGVLPGSA-N 2 0 225.380 1.234 20 0 BDADRP CCOc1ccc(C[NH2+]C2CC[NH2+]CC2)cc1 ZINC000084529861 387452214 /nfs/dbraw/zinc/45/22/14/387452214.db2.gz ISVWKASQEJAEGU-UHFFFAOYSA-N 2 0 234.343 1.927 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[NH2+]2)C1 ZINC000643505754 387453119 /nfs/dbraw/zinc/45/31/19/387453119.db2.gz GRYPLJCHAMZOKP-IJLUTSLNSA-N 2 0 212.337 1.286 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC1(CO)CCCCC1 ZINC000643466296 387386353 /nfs/dbraw/zinc/38/63/53/387386353.db2.gz XBCYPFRVOFWJAS-RYUDHWBXSA-N 2 0 228.380 1.645 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CC1(CO)CCCCC1 ZINC000643466260 387387184 /nfs/dbraw/zinc/38/71/84/387387184.db2.gz NNSJSLLVFCYVKY-NWDGAFQWSA-N 2 0 226.364 1.399 20 0 BDADRP Cn1cc(CCC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000515498318 387391125 /nfs/dbraw/zinc/39/11/25/387391125.db2.gz GQXQLFXHKMAOQS-CHWSQXEVSA-N 2 0 236.363 1.212 20 0 BDADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000423676284 387394768 /nfs/dbraw/zinc/39/47/68/387394768.db2.gz IQJFJWCKYYGPSX-NHCYSSNCSA-N 2 0 241.379 1.136 20 0 BDADRP CC[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000515637873 387403925 /nfs/dbraw/zinc/40/39/25/387403925.db2.gz ZTFHFYGVPNQRPI-STQMWFEESA-N 2 0 228.380 1.467 20 0 BDADRP CC[NH+](CC)CCCN1CC[N@H+](CC)C[C@@H]1C ZINC000352658180 387422447 /nfs/dbraw/zinc/42/24/47/387422447.db2.gz DIIMKGXFZACRTQ-AWEZNQCLSA-N 2 0 241.423 1.744 20 0 BDADRP CC1(C)C[C@H]([NH2+][C@@H]2CCN3CCCC[C@H]23)CO1 ZINC000396849183 387502703 /nfs/dbraw/zinc/50/27/03/387502703.db2.gz MJKVYHYIJGKUHW-YNEHKIRRSA-N 2 0 238.375 1.770 20 0 BDADRP COC(C)(C)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000122296076 387503650 /nfs/dbraw/zinc/50/36/50/387503650.db2.gz YJNONRVJTZNEDJ-UHFFFAOYSA-N 2 0 228.380 1.874 20 0 BDADRP CC(C)CCOCC[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000122322616 387514699 /nfs/dbraw/zinc/51/46/99/387514699.db2.gz XEZYKXFAZSAPEV-QWHCGFSZSA-N 2 0 228.380 1.718 20 0 BDADRP C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCC[NH2+]C1 ZINC000516492312 387516343 /nfs/dbraw/zinc/51/63/43/387516343.db2.gz VXLPOGYIWURVII-QNWHQSFQSA-N 2 0 225.380 1.234 20 0 BDADRP CC(C)[NH+]1CCN(CC[NH+]2CCCCC2)CC1 ZINC000122379149 387517281 /nfs/dbraw/zinc/51/72/81/387517281.db2.gz HLTPPDLHDBZYKW-UHFFFAOYSA-N 2 0 239.407 1.498 20 0 BDADRP C[C@H](CC1CCOCC1)[NH2+]C[C@H](C)C[NH+](C)C ZINC000425948682 387533952 /nfs/dbraw/zinc/53/39/52/387533952.db2.gz DOYIYNGTFSNHDL-QWHCGFSZSA-N 2 0 242.407 1.979 20 0 BDADRP CC[C@@H]([NH2+]CCC[NH+]1CCCC1)[C@H]1CCOC1 ZINC000310228286 387535372 /nfs/dbraw/zinc/53/53/72/387535372.db2.gz OKOARCCEFWFVJW-UONOGXRCSA-N 2 0 240.391 1.877 20 0 BDADRP C[NH+](C)C1CCN(CC[NH2+]CC2(F)CC2)CC1 ZINC000527232477 387541099 /nfs/dbraw/zinc/54/10/99/387541099.db2.gz GMXLNXXNNPUPDQ-UHFFFAOYSA-N 2 0 243.370 1.104 20 0 BDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC(C)(C)CC[NH3+] ZINC000424048882 387469766 /nfs/dbraw/zinc/46/97/66/387469766.db2.gz SSTGJYACYLJPBJ-GHMZBOCLSA-N 2 0 241.379 1.103 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC[C@@H](CO)CC1)[C@@H]1CCCC[NH2+]1 ZINC000643471023 387477529 /nfs/dbraw/zinc/47/75/29/387477529.db2.gz LXYUMJQNINQUKO-MQYQWHSLSA-N 2 0 240.391 1.658 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000643470990 387477933 /nfs/dbraw/zinc/47/79/33/387477933.db2.gz FNGYGIOXNILQJO-FQUUOJAGSA-N 2 0 240.391 1.515 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]C1CCC(CO)CC1 ZINC000643471373 387479609 /nfs/dbraw/zinc/47/96/09/387479609.db2.gz XQAMMTMTDIDGGE-HOAMVYINSA-N 2 0 240.391 1.787 20 0 BDADRP C[N@@H+]1CC[C@H](NCC[NH2+]C2CC2)[C@@H]2CCC[C@@H]21 ZINC000643507930 387481229 /nfs/dbraw/zinc/48/12/29/387481229.db2.gz WMGWQIIVMFTSTH-IHRRRGAJSA-N 2 0 237.391 1.201 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC[NH2+]C1CC1 ZINC000643508062 387481778 /nfs/dbraw/zinc/48/17/78/387481778.db2.gz HQTBSHCMDFAFJV-OCCSQVGLSA-N 2 0 239.407 1.639 20 0 BDADRP CC(C)[NH2+]CCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000643508342 387488352 /nfs/dbraw/zinc/48/83/52/387488352.db2.gz PDMRCIIKTVYGID-UONOGXRCSA-N 3 0 239.407 1.591 20 0 BDADRP CC[N@@H+]1CC[C@H](CN[C@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000400718395 387581232 /nfs/dbraw/zinc/58/12/32/387581232.db2.gz NSQCTRMRPMOITA-JHJVBQTASA-N 2 0 225.380 1.058 20 0 BDADRP Cc1n[nH]cc1[C@@H](C)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000643510609 387582583 /nfs/dbraw/zinc/58/25/83/387582583.db2.gz WUTSQBKFBZKDKN-PWSUYJOCSA-N 2 0 236.363 1.758 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CCC[NH2+]C2)C1 ZINC000643510520 387583109 /nfs/dbraw/zinc/58/31/09/387583109.db2.gz CBZBJWCUFCTPIZ-MGPQQGTHSA-N 2 0 240.391 1.923 20 0 BDADRP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422715367 387628705 /nfs/dbraw/zinc/62/87/05/387628705.db2.gz MAPSUKYMYCMJQS-UTLUCORTSA-N 2 0 224.352 1.505 20 0 BDADRP C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000400737839 387595028 /nfs/dbraw/zinc/59/50/28/387595028.db2.gz SBCMXWLZTMSTBV-YVECIDJPSA-N 2 0 225.380 1.199 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)[NH3+])C1 ZINC000643513313 387597327 /nfs/dbraw/zinc/59/73/27/387597327.db2.gz QYRQQMQPSUPVJA-NXEZZACHSA-N 2 0 200.326 1.271 20 0 BDADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccnc(N)c2)C[C@@H]1C[NH3+] ZINC000422638216 387610251 /nfs/dbraw/zinc/61/02/51/387610251.db2.gz PZEBGEXGKCIOKF-WZRBSPASSA-N 2 0 248.374 1.299 20 0 BDADRP FCCCCC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422635152 387611645 /nfs/dbraw/zinc/61/16/45/387611645.db2.gz LAWARQWSBLBELS-UHFFFAOYSA-N 2 0 214.328 1.954 20 0 BDADRP CC[C@@H](NC[C@@H]1CC[N@H+](CC)C1)[C@@H]1CCC[NH2+]1 ZINC000422695385 387612811 /nfs/dbraw/zinc/61/28/11/387612811.db2.gz PUDCUKLMWQUWEI-MJBXVCDLSA-N 2 0 239.407 1.448 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000422694711 387613983 /nfs/dbraw/zinc/61/39/83/387613983.db2.gz OIMTYDMOLVLGFI-MOKVOYLWSA-N 3 0 239.407 1.435 20 0 BDADRP C[C@@H]([NH2+]C[C@@H](O)C1CCCCC1)C1C[NH2+]C1 ZINC000422698667 387615081 /nfs/dbraw/zinc/61/50/81/387615081.db2.gz AKHLNVBIHSGBBF-ZWNOBZJWSA-N 2 0 226.364 1.125 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422700558 387615841 /nfs/dbraw/zinc/61/58/41/387615841.db2.gz ACFSPLNNBJDNBS-JFGNBEQYSA-N 2 0 216.369 1.499 20 0 BDADRP CC[C@@H](C)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000124479080 387618270 /nfs/dbraw/zinc/61/82/70/387618270.db2.gz RYRPLDXNMFBOHJ-CYBMUJFWSA-N 2 0 241.423 1.648 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)NCC[N@H+](C)C1CCCCC1 ZINC000422702320 387619014 /nfs/dbraw/zinc/61/90/14/387619014.db2.gz KKSWEHPGISGPOT-CHWSQXEVSA-N 2 0 241.423 1.966 20 0 BDADRP COc1cccc2c1CCC[C@@H]2[NH2+]CC1C[NH2+]C1 ZINC000643516183 387619822 /nfs/dbraw/zinc/61/98/22/387619822.db2.gz XPKNQTUIZGRHFS-AWEZNQCLSA-N 2 0 246.354 1.882 20 0 BDADRP CCCC[N@H+](C)CCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000422708544 387622248 /nfs/dbraw/zinc/62/22/48/387622248.db2.gz JBRPMMDMTHMPFX-ZIAGYGMSSA-N 2 0 241.423 1.968 20 0 BDADRP COc1cccc([C@@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)c1 ZINC000422711446 387626304 /nfs/dbraw/zinc/62/63/04/387626304.db2.gz NCMBXWPBXPIJHU-MNOVXSKESA-N 2 0 234.343 1.954 20 0 BDADRP C[N@H+](CCCO)C1CC[NH+](CC2CC2)CC1 ZINC000305075049 387546980 /nfs/dbraw/zinc/54/69/80/387546980.db2.gz NHLVMMQFGNZQLG-UHFFFAOYSA-N 2 0 226.364 1.175 20 0 BDADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)C1(C)CC1 ZINC000037468206 387562840 /nfs/dbraw/zinc/56/28/40/387562840.db2.gz MTQXTMNBDWRRKJ-ZDUSSCGKSA-N 2 0 239.407 1.402 20 0 BDADRP COCC(C)(C)C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000426396783 387564502 /nfs/dbraw/zinc/56/45/02/387564502.db2.gz OTOKKMQPTZPFFR-UHFFFAOYSA-N 2 0 242.407 1.933 20 0 BDADRP C[C@@H]([NH2+]CCCC[NH3+])c1nc2ccccc2n1C ZINC000037715009 387565960 /nfs/dbraw/zinc/56/59/60/387565960.db2.gz GQNYFYUUZNULON-LLVKDONJSA-N 2 0 246.358 1.963 20 0 BDADRP CC(C)[C@H](O)CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000305170943 387569602 /nfs/dbraw/zinc/56/96/02/387569602.db2.gz UGODTCVPVIYRIZ-XJFOESAGSA-N 2 0 242.407 1.712 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000422717540 387631116 /nfs/dbraw/zinc/63/11/16/387631116.db2.gz WARYSERRGBZQTH-ZDEQEGDKSA-N 2 0 228.380 1.501 20 0 BDADRP [NH3+][C@@H](CN[C@H]1CCCc2cccnc21)C1CC1 ZINC000643516801 387631383 /nfs/dbraw/zinc/63/13/83/387631383.db2.gz WMOHXXMXLOSBTI-STQMWFEESA-N 2 0 231.343 1.786 20 0 BDADRP C[C@H](CN[C@@H](C)C[C@H](C)[NH3+])C[NH+]1CCCC1 ZINC000422720976 387634150 /nfs/dbraw/zinc/63/41/50/387634150.db2.gz NARVEVKYKJGRKB-AGIUHOORSA-N 2 0 227.396 1.434 20 0 BDADRP CC[NH+](CC)CCCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422725053 387635187 /nfs/dbraw/zinc/63/51/87/387635187.db2.gz AGTZEDRQRGKTFK-KGLIPLIRSA-N 2 0 241.423 1.696 20 0 BDADRP CCCCOCCC[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422732145 387640197 /nfs/dbraw/zinc/64/01/97/387640197.db2.gz PBQUMOJTWOYWTA-LLVKDONJSA-N 2 0 214.353 1.391 20 0 BDADRP CCC[NH+]1CCC(C[NH2+][C@H](C)C[C@H](C)[NH3+])CC1 ZINC000422734079 387640664 /nfs/dbraw/zinc/64/06/64/387640664.db2.gz CGCMSJMMYMUREW-QWHCGFSZSA-N 3 0 241.423 1.824 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(CO)c1 ZINC000422736565 387642658 /nfs/dbraw/zinc/64/26/58/387642658.db2.gz GOFWVVQGWZIDGH-QWRGUYRKSA-N 2 0 222.332 1.394 20 0 BDADRP Cc1nc(C)c(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])s1 ZINC000422793980 387695104 /nfs/dbraw/zinc/69/51/04/387695104.db2.gz XWNMGZNQTYVPPB-SFYZADRCSA-N 2 0 227.377 1.975 20 0 BDADRP C[C@H](CN[C@H](C)[C@H]1CCC[NH2+]1)[N@H+](C)C1CC1 ZINC000422737406 387645535 /nfs/dbraw/zinc/64/55/35/387645535.db2.gz IAOIYJJKTMDZLR-NQBHXWOUSA-N 2 0 225.380 1.199 20 0 BDADRP C[C@H]1CCNC[C@H]1[NH2+]CCC1CC[NH+](C)CC1 ZINC000422738945 387646568 /nfs/dbraw/zinc/64/65/68/387646568.db2.gz KNGAQGYZGMZZHQ-GXTWGEPZSA-N 2 0 239.407 1.306 20 0 BDADRP C[N@H+](CCCn1ccnc1)[C@H](CO)C(C)(C)C ZINC000305759538 387646992 /nfs/dbraw/zinc/64/69/92/387646992.db2.gz BSSMEPRBBXGWBM-GFCCVEGCSA-N 2 0 239.363 1.612 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@H]1CCCO1 ZINC000422741930 387647668 /nfs/dbraw/zinc/64/76/68/387647668.db2.gz FQVQUWJJORXZPC-UTUOFQBUSA-N 2 0 212.337 1.415 20 0 BDADRP Cc1ncc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])s1 ZINC000422740510 387647901 /nfs/dbraw/zinc/64/79/01/387647901.db2.gz MWJXXPJDCALYRD-SFYZADRCSA-N 2 0 213.350 1.667 20 0 BDADRP COc1ccc(CCC[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000422744932 387648096 /nfs/dbraw/zinc/64/80/96/387648096.db2.gz WUTUIDSHXYSTNT-GFCCVEGCSA-N 2 0 248.370 1.825 20 0 BDADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCc1ccccc1 ZINC000422740590 387648436 /nfs/dbraw/zinc/64/84/36/387648436.db2.gz CBNMVLLNFLRMAR-CFVMTHIKSA-N 2 0 248.370 1.571 20 0 BDADRP CCCCOCC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125312161 387652215 /nfs/dbraw/zinc/65/22/15/387652215.db2.gz SZDAQJWGADSQOH-MJBXVCDLSA-N 2 0 240.391 1.862 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc2c(c1)OCO2 ZINC000422748565 387652611 /nfs/dbraw/zinc/65/26/11/387652611.db2.gz VBDLRRXWTUJBOS-ZJUUUORDSA-N 2 0 236.315 1.631 20 0 BDADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccccc1 ZINC000422748162 387653207 /nfs/dbraw/zinc/65/32/07/387653207.db2.gz SHCUHOUMYXMPQV-IACUBPJLSA-N 2 0 234.343 1.529 20 0 BDADRP C[C@@H]([NH2+]C1CC(C)(F)C1)[C@@H]1CCC[NH2+]C1 ZINC000643491411 387653903 /nfs/dbraw/zinc/65/39/03/387653903.db2.gz OMNDIYGENUCCCR-QYNFOATHSA-N 2 0 214.328 1.855 20 0 BDADRP C[C@@H]([NH2+]C1CC(C)(F)C1)[C@H]1CCC[NH2+]C1 ZINC000643491410 387654115 /nfs/dbraw/zinc/65/41/15/387654115.db2.gz OMNDIYGENUCCCR-QKEWWQLBSA-N 2 0 214.328 1.855 20 0 BDADRP CC[NH+](CC)CCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422749164 387654255 /nfs/dbraw/zinc/65/42/55/387654255.db2.gz XVQLAJUOQMCNEJ-CHWSQXEVSA-N 2 0 227.396 1.306 20 0 BDADRP C[C@H]([NH2+]CCc1ccccc1F)C1C[NH2+]C1 ZINC000422761173 387662963 /nfs/dbraw/zinc/66/29/63/387662963.db2.gz LOXIMMJRPSXUDO-JTQLQIEISA-N 2 0 222.307 1.566 20 0 BDADRP CC(C)[C@H](C)C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000422760687 387663603 /nfs/dbraw/zinc/66/36/03/387663603.db2.gz GYVKNACAFRDWLL-FVCCEPFGSA-N 2 0 228.380 1.620 20 0 BDADRP C[C@@H](N[C@H](CC[NH+](C)C)C(C)(C)C)C1C[NH2+]C1 ZINC000422761876 387664252 /nfs/dbraw/zinc/66/42/52/387664252.db2.gz NAWCZCGXNROLFT-DGCLKSJQSA-N 2 0 241.423 1.550 20 0 BDADRP C[C@H](NCCC[N@@H+]1CCCC[C@@H]1C)C1C[NH2+]C1 ZINC000422765787 387664629 /nfs/dbraw/zinc/66/46/29/387664629.db2.gz LFHBSHLBOKYEJU-STQMWFEESA-N 2 0 239.407 1.448 20 0 BDADRP CC[N@@H+]1CCC[C@H]1CN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422764127 387666358 /nfs/dbraw/zinc/66/63/58/387666358.db2.gz UOBKQQRAOVDZPV-MELADBBJSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NCC1([NH+](C)C)CCCCC1 ZINC000422765509 387666771 /nfs/dbraw/zinc/66/67/71/387666771.db2.gz WHORBECYMJMWLV-STQMWFEESA-N 2 0 241.423 1.966 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1NCC[NH+]1CCCC1 ZINC000422767781 387667184 /nfs/dbraw/zinc/66/71/84/387667184.db2.gz ROCLQIZQQOQHLI-STQMWFEESA-N 2 0 225.380 1.060 20 0 BDADRP Cc1cc(C[NH2+][C@H]2CCc3nc[nH]c3C2)ccn1 ZINC000527709187 387668595 /nfs/dbraw/zinc/66/85/95/387668595.db2.gz DQEFVKSNLSLNST-LBPRGKRZSA-N 2 0 242.326 1.760 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)NCCC[NH+]1CCC(C)CC1 ZINC000422775389 387673479 /nfs/dbraw/zinc/67/34/79/387673479.db2.gz BLOWNJDNNYYJGL-ZIAGYGMSSA-N 2 0 241.423 1.824 20 0 BDADRP CC1CC[NH+](CCCN[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000422778106 387675728 /nfs/dbraw/zinc/67/57/28/387675728.db2.gz HFTYSYZOGUNCQQ-KGLIPLIRSA-N 2 0 239.407 1.578 20 0 BDADRP Cc1ccc(O[C@@H](C)C[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000422779594 387677606 /nfs/dbraw/zinc/67/76/06/387677606.db2.gz CEBXQNQLSANPSJ-STQMWFEESA-N 2 0 248.370 1.960 20 0 BDADRP CCCCOCC[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422779799 387677954 /nfs/dbraw/zinc/67/79/54/387677954.db2.gz JEHUULBTBOICLB-GHMZBOCLSA-N 2 0 200.326 1.273 20 0 BDADRP CC[NH2+]CCNC(=O)c1ccccc1C[NH+](C)C ZINC000422779791 387679104 /nfs/dbraw/zinc/67/91/04/387679104.db2.gz JEEVZPWMSUHUMY-UHFFFAOYSA-N 2 0 249.358 1.088 20 0 BDADRP CC[C@@H]([NH2+]CCCOCC1CC1)[C@@H]1CCC[NH2+]1 ZINC000422778870 387679189 /nfs/dbraw/zinc/67/91/89/387679189.db2.gz FFNUYPBMCVTKIJ-KGLIPLIRSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCCOCC1CC1 ZINC000422782945 387680354 /nfs/dbraw/zinc/68/03/54/387680354.db2.gz KHESJBUCDZRDHE-WDEREUQCSA-N 2 0 214.353 1.519 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422781896 387681060 /nfs/dbraw/zinc/68/10/60/387681060.db2.gz LHKIVIRIAAVLBQ-STQMWFEESA-N 3 0 227.396 1.578 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NCCC[NH+]1CCCC1 ZINC000422781733 387681451 /nfs/dbraw/zinc/68/14/51/387681451.db2.gz IZGMVTSKLXFRJU-NWDGAFQWSA-N 2 0 213.369 1.188 20 0 BDADRP CC(C)[C@H](O)CC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000422785006 387682868 /nfs/dbraw/zinc/68/28/68/387682868.db2.gz QLOWDFNWVOZHLU-SDDRHHMPSA-N 2 0 214.353 1.110 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000422783236 387683699 /nfs/dbraw/zinc/68/36/99/387683699.db2.gz NWSCSZMDDAZADP-JZRPKSSGSA-N 2 0 240.391 1.905 20 0 BDADRP O[C@@H]1CCCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422786758 387685712 /nfs/dbraw/zinc/68/57/12/387685712.db2.gz QQZJEJWYXIJEDV-BEUHCMRWSA-N 2 0 238.375 1.410 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000422786778 387687508 /nfs/dbraw/zinc/68/75/08/387687508.db2.gz QTEPXAWQKDQFSW-WYUUTHIRSA-N 2 0 212.337 1.007 20 0 BDADRP C[NH+](C)C1(CN[C@H]2CCC[C@H]2[NH3+])CCCC1 ZINC000422786436 387687739 /nfs/dbraw/zinc/68/77/39/387687739.db2.gz ORQDCXIKGGNQAZ-NEPJUHHUSA-N 2 0 225.380 1.330 20 0 BDADRP CO[C@@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422793533 387696531 /nfs/dbraw/zinc/69/65/31/387696531.db2.gz SHZZSMKNWQBLIN-QZQCMHJZSA-N 2 0 238.375 1.817 20 0 BDADRP C[C@@H]([NH2+]CCCOc1ccccc1)C1C[NH2+]C1 ZINC000422793798 387696554 /nfs/dbraw/zinc/69/65/54/387696554.db2.gz SUMXKHONYFGKEY-GFCCVEGCSA-N 2 0 234.343 1.653 20 0 BDADRP CCCCC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422742934 387689373 /nfs/dbraw/zinc/68/93/73/387689373.db2.gz HHLLWBVXVHGDNQ-MELADBBJSA-N 2 0 240.391 1.923 20 0 BDADRP CC1(C)[C@H]([NH2+]C2CC[NH2+]CC2)[C@H]2CCCO[C@H]21 ZINC000422788464 387689466 /nfs/dbraw/zinc/68/94/66/387689466.db2.gz VLKTTZFLJNLFTO-JHJVBQTASA-N 2 0 238.375 1.532 20 0 BDADRP Cc1cccc(OC[C@H](C)[NH2+][C@H](C)C2C[NH2+]C2)c1 ZINC000422743562 387690875 /nfs/dbraw/zinc/69/08/75/387690875.db2.gz UGLVWQUZFGMPQH-QWHCGFSZSA-N 2 0 248.370 1.960 20 0 BDADRP CC1CC[NH+](CCN[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422859474 387743368 /nfs/dbraw/zinc/74/33/68/387743368.db2.gz KCVGQXBRQCYPEF-ZIAGYGMSSA-N 2 0 239.407 1.306 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](CCCO)C1 ZINC000452116641 387744182 /nfs/dbraw/zinc/74/41/82/387744182.db2.gz HAFLWLVAAPJNBT-CQSZACIVSA-N 2 0 242.407 1.813 20 0 BDADRP C[C@@H](NCC[N@@H+]1CCCC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000422862094 387744245 /nfs/dbraw/zinc/74/42/45/387744245.db2.gz NJVMRFHSXYPWOY-MGPQQGTHSA-N 2 0 239.407 1.591 20 0 BDADRP CC[C@H]([NH2+]CCCCOC)[C@@H]1CCC[NH2+]1 ZINC000422876320 387756406 /nfs/dbraw/zinc/75/64/06/387756406.db2.gz GDSQAIWGKJWMAJ-RYUDHWBXSA-N 2 0 214.353 1.533 20 0 BDADRP C[C@H](NCC[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422871380 387749727 /nfs/dbraw/zinc/74/97/27/387749727.db2.gz ZYKKWJFGZYPKMM-HZSPNIEDSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[NH3+])N(C)c1ccccc1 ZINC000422870572 387750436 /nfs/dbraw/zinc/75/04/36/387750436.db2.gz YYHGCASHGKSWOF-VHDGCEQUSA-N 2 0 247.386 1.981 20 0 BDADRP CC[C@H](NCC[N@H+](CC)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000422879837 387754407 /nfs/dbraw/zinc/75/44/07/387754407.db2.gz MVHBBAVTDUNEMB-KBPBESRZSA-N 2 0 239.407 1.591 20 0 BDADRP Cc1cccc(C[NH2+][C@H](C)C2C[NH2+]C2)c1 ZINC000422801104 387702760 /nfs/dbraw/zinc/70/27/60/387702760.db2.gz DOYMCQLGZXJNBL-LLVKDONJSA-N 2 0 204.317 1.693 20 0 BDADRP CN(CC[NH2+][C@@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000422805438 387705922 /nfs/dbraw/zinc/70/59/22/387705922.db2.gz GUIGMDFPLPIPNW-DZGCQCFKSA-N 2 0 247.386 1.840 20 0 BDADRP CCC(CC)(CCO)C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000422806580 387706217 /nfs/dbraw/zinc/70/62/17/387706217.db2.gz IHKJZFYWSPESPV-QWHCGFSZSA-N 2 0 242.407 1.892 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000422809447 387707266 /nfs/dbraw/zinc/70/72/66/387707266.db2.gz PUAGFOGPVKWYDZ-ZDUSSCGKSA-N 3 0 249.402 1.965 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1[NH3+])C(C)(C)C ZINC000422811564 387707400 /nfs/dbraw/zinc/70/74/00/387707400.db2.gz PEDUGZJXCRPAOK-HBNTYKKESA-N 2 0 214.353 1.517 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCn1cccn1 ZINC000422811567 387711059 /nfs/dbraw/zinc/71/10/59/387711059.db2.gz PEUKPKYPUDRXNQ-OLZOCXBDSA-N 2 0 236.363 1.251 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NCC[NH+]1CCCCCC1 ZINC000422812303 387711566 /nfs/dbraw/zinc/71/15/66/387711566.db2.gz WFLDMTJGCBCUQA-QWHCGFSZSA-N 2 0 227.396 1.578 20 0 BDADRP CCC(CC)(CCO)C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422813077 387711711 /nfs/dbraw/zinc/71/17/11/387711711.db2.gz RKBFOGPGALYIJU-VXGBXAGGSA-N 2 0 230.396 1.891 20 0 BDADRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)C1C[NH2+]C1 ZINC000422812830 387712168 /nfs/dbraw/zinc/71/21/68/387712168.db2.gz WZZNLFJBWUYGHR-LBPRGKRZSA-N 3 0 247.386 1.446 20 0 BDADRP CO[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)(C)C ZINC000422815200 387714829 /nfs/dbraw/zinc/71/48/29/387714829.db2.gz XFRZEUGFCRGJQE-HNGCFSAESA-N 2 0 240.391 1.920 20 0 BDADRP CC[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)C1CCOCC1 ZINC000422816311 387715067 /nfs/dbraw/zinc/71/50/67/387715067.db2.gz ZLQZQZPMFRMQSN-MRVWCRGKSA-N 2 0 240.391 1.922 20 0 BDADRP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)C1CCOCC1 ZINC000422816310 387715268 /nfs/dbraw/zinc/71/52/68/387715268.db2.gz ZLQZQZPMFRMQSN-KWCYVHTRSA-N 2 0 240.391 1.922 20 0 BDADRP CC[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cnn(C)c1 ZINC000643522605 387719785 /nfs/dbraw/zinc/71/97/85/387719785.db2.gz PWXRXQRFHCDZCP-QWHCGFSZSA-N 2 0 236.363 1.603 20 0 BDADRP CNC(=O)c1ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000422826425 387720193 /nfs/dbraw/zinc/72/01/93/387720193.db2.gz LKTGAVBAHWUGHI-QWRGUYRKSA-N 2 0 249.358 1.262 20 0 BDADRP C[C@@H](F)CC[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000367523391 387720351 /nfs/dbraw/zinc/72/03/51/387720351.db2.gz OMHBSUAKVDUPMW-MXWKQRLJSA-N 2 0 200.301 1.228 20 0 BDADRP CC[N@H+](C)CCN[C@@H]1CC[NH+](C)[C@H]2CCC[C@@H]21 ZINC000367549890 387723176 /nfs/dbraw/zinc/72/31/76/387723176.db2.gz HPITZKCKVRGVRT-MCIONIFRSA-N 2 0 239.407 1.401 20 0 BDADRP COCCCCC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422830679 387723946 /nfs/dbraw/zinc/72/39/46/387723946.db2.gz WCHOXZZGJQUXGD-OLZOCXBDSA-N 2 0 228.380 1.781 20 0 BDADRP CC[NH+](CC)CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127702799 387726364 /nfs/dbraw/zinc/72/63/64/387726364.db2.gz ADOQIVYVOHPQBD-ZIAGYGMSSA-N 2 0 239.407 1.545 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422848225 387735950 /nfs/dbraw/zinc/73/59/50/387735950.db2.gz ANPOWYNTOGCRMZ-UPJWGTAASA-N 2 0 228.380 1.645 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000422852749 387737274 /nfs/dbraw/zinc/73/72/74/387737274.db2.gz BFANLPIPXZVKEX-XUXIUFHCSA-N 3 0 241.423 1.822 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@H]1CCCOC1 ZINC000422855592 387738242 /nfs/dbraw/zinc/73/82/42/387738242.db2.gz CODPDARBERRPKO-QJPTWQEYSA-N 2 0 212.337 1.415 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CCCOC1 ZINC000422855591 387739132 /nfs/dbraw/zinc/73/91/32/387739132.db2.gz CODPDARBERRPKO-IJLUTSLNSA-N 2 0 212.337 1.415 20 0 BDADRP C[C@H](NCC[N@@H+]1CCCC[C@@H]1C)C1C[NH2+]C1 ZINC000422857398 387740366 /nfs/dbraw/zinc/74/03/66/387740366.db2.gz HIVKSHLLFYIYLF-RYUDHWBXSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H]([NH3+])C[NH2+][C@H](C)CCc1n[nH]c2ccccc21 ZINC000643527369 387763248 /nfs/dbraw/zinc/76/32/48/387763248.db2.gz LRMOMODDCXJDJM-GHMZBOCLSA-N 2 0 246.358 1.821 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000422891042 387763311 /nfs/dbraw/zinc/76/33/11/387763311.db2.gz ULVRHFXNTYXEDE-LPWJVIDDSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@@H]([NH2+][C@H](C)C1CCOCC1)[C@H]1CCC[NH2+]1 ZINC000422892041 387763464 /nfs/dbraw/zinc/76/34/64/387763464.db2.gz LWASCNCEWQBUGW-NQBHXWOUSA-N 2 0 226.364 1.532 20 0 BDADRP Cc1nc(CC[NH2+][C@H]2CCC[C@H]2[NH3+])sc1C ZINC000422890759 387763992 /nfs/dbraw/zinc/76/39/92/387763992.db2.gz JDNSXOYJGHPDFT-MNOVXSKESA-N 2 0 239.388 1.772 20 0 BDADRP COCCC1(C[NH2+][C@H](C)C2C[NH2+]C2)CCCC1 ZINC000422891941 387764261 /nfs/dbraw/zinc/76/42/61/387764261.db2.gz WYRSSBMWUKZKHS-GFCCVEGCSA-N 2 0 240.391 1.781 20 0 BDADRP CC[C@H](O)CC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422895651 387766564 /nfs/dbraw/zinc/76/65/64/387766564.db2.gz WMEBMSFHPXKYEP-MCIGGMRASA-N 2 0 214.353 1.255 20 0 BDADRP Cc1ccc(C[NH2+][C@H](C)C2C[NH2+]C2)s1 ZINC000422895398 387766617 /nfs/dbraw/zinc/76/66/17/387766617.db2.gz VWFLJILONASLLQ-SECBINFHSA-N 2 0 210.346 1.754 20 0 BDADRP CN1CCC[C@H]1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422904703 387767399 /nfs/dbraw/zinc/76/73/99/387767399.db2.gz QLJMICRVFWABFM-BPCQOVAHSA-N 2 0 225.380 1.188 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CN[C@@H]1C[NH2+]CC[C@H]1C ZINC000422909695 387769190 /nfs/dbraw/zinc/76/91/90/387769190.db2.gz OSZGGGJHECWEGY-MGPQQGTHSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]([NH2+]CCCc1cccc(F)c1)C1C[NH2+]C1 ZINC000422910060 387769208 /nfs/dbraw/zinc/76/92/08/387769208.db2.gz PPARHIDAWVZSKK-LLVKDONJSA-N 2 0 236.334 1.956 20 0 BDADRP FCCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000378168225 387770226 /nfs/dbraw/zinc/77/02/26/387770226.db2.gz JWEBLTMYTTVWSF-UPJWGTAASA-N 2 0 226.339 1.762 20 0 BDADRP CN(C)c1ccccc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000422914883 387771248 /nfs/dbraw/zinc/77/12/48/387771248.db2.gz WJEUXSUXJTZMJJ-JSGCOSHPSA-N 2 0 247.386 1.970 20 0 BDADRP C[C@@H]([NH3+])C[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000643528742 387771815 /nfs/dbraw/zinc/77/18/15/387771815.db2.gz ODBDXVAKAAFHFI-PRHODGIISA-N 2 0 224.735 1.744 20 0 BDADRP C[C@H]([NH3+])C[NH2+]C1CCc2ccccc2CC1 ZINC000643529855 387775155 /nfs/dbraw/zinc/77/51/55/387775155.db2.gz ROXGMWZWZKBALT-NSHDSACASA-N 2 0 218.344 1.871 20 0 BDADRP CS[C@H](C)C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422937198 387782588 /nfs/dbraw/zinc/78/25/88/387782588.db2.gz NVXICCATPZQWCA-HBNTYKKESA-N 2 0 216.394 1.716 20 0 BDADRP Cc1cc(C)cc(OCC[NH2+][C@H](C)C2C[NH2+]C2)c1 ZINC000422945302 387786009 /nfs/dbraw/zinc/78/60/09/387786009.db2.gz NLFBTCQUUABWDZ-CYBMUJFWSA-N 2 0 248.370 1.880 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCSCCCO ZINC000422979544 387789500 /nfs/dbraw/zinc/78/95/00/387789500.db2.gz MZWDHGJMAMUVJU-RYUDHWBXSA-N 2 0 246.420 1.352 20 0 BDADRP CCCC(O)(CCC)C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422979164 387789568 /nfs/dbraw/zinc/78/95/68/387789568.db2.gz LNTUONDHSRUYIX-LLVKDONJSA-N 2 0 228.380 1.515 20 0 BDADRP CC(C)[C@](C)(O)C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422981182 387790800 /nfs/dbraw/zinc/79/08/00/387790800.db2.gz SDWHKBKLMYKLHE-GARJFASQSA-N 2 0 202.342 1.109 20 0 BDADRP CC[C@@H](CCO)[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422981454 387792288 /nfs/dbraw/zinc/79/22/88/387792288.db2.gz SWQAMIMXFKHZBL-SRVKXCTJSA-N 2 0 214.353 1.268 20 0 BDADRP CC(C)[C@H]1C[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])CCO1 ZINC000422985363 387796056 /nfs/dbraw/zinc/79/60/56/387796056.db2.gz DKEQRJVCSDOLES-WUHRBBMRSA-N 2 0 228.380 1.905 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@H](CO)c1cccc(F)c1 ZINC000422985619 387796677 /nfs/dbraw/zinc/79/66/77/387796677.db2.gz FMFQKNWAACZWSF-GXFFZTMASA-N 2 0 240.322 1.576 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC23CC(C2)CO3)CC[N@@H+]1C ZINC000527980424 387798492 /nfs/dbraw/zinc/79/84/92/387798492.db2.gz KAVIKMCVNZSHRW-CQLXCSJHSA-N 2 0 224.348 1.238 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC12CC(C1)CO2 ZINC000527982543 387799806 /nfs/dbraw/zinc/79/98/06/387799806.db2.gz SVJDTKARMJNEAC-NFMDPKQHSA-N 2 0 238.375 1.484 20 0 BDADRP CC(C)[C@@H]1C[C@@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)CCO1 ZINC000422990523 387799949 /nfs/dbraw/zinc/79/99/49/387799949.db2.gz NREYJSZINLYVIY-RQJABVFESA-N 2 0 240.391 1.920 20 0 BDADRP C[C@@H]([NH2+][C@@H](CCO)C1CCCCC1)C1C[NH2+]C1 ZINC000423001533 387805059 /nfs/dbraw/zinc/80/50/59/387805059.db2.gz DVHOBCQRAGWRFQ-RISCZKNCSA-N 2 0 240.391 1.515 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000423001245 387805065 /nfs/dbraw/zinc/80/50/65/387805065.db2.gz DIRPBVWDSLQMJO-XUXIUFHCSA-N 2 0 240.391 1.645 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000423001252 387805123 /nfs/dbraw/zinc/80/51/23/387805123.db2.gz DJJZTIYAWPNLCS-AVGNSLFASA-N 2 0 228.380 1.645 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(CCO)CC1 ZINC000157511978 387809483 /nfs/dbraw/zinc/80/94/83/387809483.db2.gz ZQBIZMSSVQHFIV-AGIUHOORSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@H](N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000422880921 387758174 /nfs/dbraw/zinc/75/81/74/387758174.db2.gz XUEMCGTWQYRBRU-ZMJPVWNMSA-N 2 0 237.391 1.199 20 0 BDADRP CC[C@@H](CCO)[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422973569 387822857 /nfs/dbraw/zinc/82/28/57/387822857.db2.gz CCKSKDULOSXXIC-SRVKXCTJSA-N 2 0 214.353 1.268 20 0 BDADRP CCC(CC)(CO)C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000423003234 387825571 /nfs/dbraw/zinc/82/55/71/387825571.db2.gz LDHAIHYEFQKOGK-WDEREUQCSA-N 2 0 214.353 1.255 20 0 BDADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422975873 387826717 /nfs/dbraw/zinc/82/67/17/387826717.db2.gz HOYQPJUINHBMDC-HONMWMINSA-N 2 0 234.343 1.793 20 0 BDADRP C[NH2+]C[C@](C)(O)C[N@H+](C)CCC1CCCCC1 ZINC000564095306 387826968 /nfs/dbraw/zinc/82/69/68/387826968.db2.gz ZSIXVOSOBONAEY-AWEZNQCLSA-N 2 0 242.407 1.859 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCCC(C)(C)CO ZINC000423006083 387829146 /nfs/dbraw/zinc/82/91/46/387829146.db2.gz NXUVPZJUWLEPAO-MNOVXSKESA-N 2 0 216.369 1.501 20 0 BDADRP CCCC[C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000442723748 387830418 /nfs/dbraw/zinc/83/04/18/387830418.db2.gz ZQCWMIYYYBXUBL-CHWSQXEVSA-N 2 0 249.358 1.320 20 0 BDADRP Cc1cncc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c1 ZINC000423008840 387831703 /nfs/dbraw/zinc/83/17/03/387831703.db2.gz BFXAEFCADZOXTA-QWRGUYRKSA-N 2 0 207.321 1.605 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCNc1ccccn1 ZINC000423008185 387831930 /nfs/dbraw/zinc/83/19/30/387831930.db2.gz SNTHHFVTNLSRML-QWHCGFSZSA-N 2 0 248.374 1.471 20 0 BDADRP CCC[C@@H](CCO)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423008524 387832152 /nfs/dbraw/zinc/83/21/52/387832152.db2.gz SWYAAAPNFIXKBN-RDBSUJKOSA-N 2 0 242.407 1.905 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCNc1ccccn1 ZINC000423011387 387833103 /nfs/dbraw/zinc/83/31/03/387833103.db2.gz ZKJRVUKDJYKRML-STQMWFEESA-N 2 0 248.374 1.743 20 0 BDADRP CC[C@H]([NH2+][C@H](CCC[NH3+])COC)[C@H]1CCCO1 ZINC000423010440 387833561 /nfs/dbraw/zinc/83/35/61/387833561.db2.gz GHDHIWYTZQFEJC-FRRDWIJNSA-N 2 0 244.379 1.288 20 0 BDADRP CC[C@@H](CSC)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000423013987 387835595 /nfs/dbraw/zinc/83/55/95/387835595.db2.gz HFQOCWSJQQWTSF-SCZZXKLOSA-N 2 0 202.367 1.326 20 0 BDADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423013145 387836505 /nfs/dbraw/zinc/83/65/05/387836505.db2.gz FFENVEBAYRSRKQ-REWJHTLYSA-N 2 0 240.391 1.922 20 0 BDADRP CO[C@H]1CCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423013730 387836707 /nfs/dbraw/zinc/83/67/07/387836707.db2.gz GLSSKKNAPJYIFG-YIPFDTCYSA-N 2 0 238.375 1.674 20 0 BDADRP Cc1cncc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000423016265 387838754 /nfs/dbraw/zinc/83/87/54/387838754.db2.gz SOPLCXITTMVFRR-QWHCGFSZSA-N 2 0 219.332 1.607 20 0 BDADRP C[C@@H](CO)CCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423014879 387839547 /nfs/dbraw/zinc/83/95/47/387839547.db2.gz PZQXYSRMPNJULF-UTUOFQBUSA-N 2 0 214.353 1.125 20 0 BDADRP CO[C@@H]1CCC[C@H]1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423015355 387839720 /nfs/dbraw/zinc/83/97/20/387839720.db2.gz KMSXIKURVNJKTD-MROQNXINSA-N 2 0 226.364 1.532 20 0 BDADRP Cc1n[nH]cc1[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000643533221 387846775 /nfs/dbraw/zinc/84/67/75/387846775.db2.gz UFHAHNWVEBQJCZ-VHSXEESVSA-N 2 0 224.352 1.886 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCCCS1)C1C[NH2+]C1 ZINC000423029547 387846874 /nfs/dbraw/zinc/84/68/74/387846874.db2.gz IIOMLOIGDFPJIE-GXSJLCMTSA-N 2 0 214.378 1.470 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCCCS1)C1C[NH2+]C1 ZINC000423029548 387847399 /nfs/dbraw/zinc/84/73/99/387847399.db2.gz IIOMLOIGDFPJIE-KOLCDFICSA-N 2 0 214.378 1.470 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]C1Cc2ccccc2C1 ZINC000423031905 387848056 /nfs/dbraw/zinc/84/80/56/387848056.db2.gz DWNSPLILUPUUEE-MNOVXSKESA-N 2 0 218.344 1.869 20 0 BDADRP CC[C@@H]1CCC[C@H]1[NH2+]CCOCC[NH2+]C ZINC000629529356 387873894 /nfs/dbraw/zinc/87/38/94/387873894.db2.gz AJFOYDUBOQDQGY-VXGBXAGGSA-N 2 0 214.353 1.391 20 0 BDADRP C[C@@H]([NH2+][C@H](CCO)C(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000423035435 387851360 /nfs/dbraw/zinc/85/13/60/387851360.db2.gz JKYRCPSOONRHEX-GRYCIOLGSA-N 2 0 228.380 1.514 20 0 BDADRP C[C@H](CC[NH2+][C@@H](C)CCC[NH3+])[NH+]1CCCCC1 ZINC000423034959 387851696 /nfs/dbraw/zinc/85/16/96/387851696.db2.gz QXKCFUYWCPCEJD-UONOGXRCSA-N 3 0 241.423 1.968 20 0 BDADRP CC1=CC[N@H+](CCN[C@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000423038796 387853517 /nfs/dbraw/zinc/85/35/17/387853517.db2.gz PCHZKHFUSLQBTD-KGLIPLIRSA-N 2 0 237.391 1.369 20 0 BDADRP CC1=CCN(CC[NH2+][C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000423038783 387853534 /nfs/dbraw/zinc/85/35/34/387853534.db2.gz PBBBXXDNXYUSAK-KBPBESRZSA-N 2 0 237.391 1.355 20 0 BDADRP Cn1ccc(CC[NH2+][C@H]2CCCCC[C@@H]2[NH3+])n1 ZINC000423040333 387853883 /nfs/dbraw/zinc/85/38/83/387853883.db2.gz TXBDLDNHEMUURM-STQMWFEESA-N 2 0 236.363 1.212 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000423050915 387860420 /nfs/dbraw/zinc/86/04/20/387860420.db2.gz MHTUIFXOHKPYGV-IHRRRGAJSA-N 2 0 241.423 1.966 20 0 BDADRP C[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])C(F)(F)F ZINC000423053178 387860851 /nfs/dbraw/zinc/86/08/51/387860851.db2.gz RGKBWHHBNPCOME-HLTSFMKQSA-N 2 0 224.270 1.902 20 0 BDADRP CO[C@H](C)C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000423061529 387864519 /nfs/dbraw/zinc/86/45/19/387864519.db2.gz RCACSCYVTULACC-MXWKQRLJSA-N 2 0 200.326 1.271 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@H]1CCO ZINC000423059219 387865632 /nfs/dbraw/zinc/86/56/32/387865632.db2.gz FIHJZLVYPXSGDJ-XUXIUFHCSA-N 2 0 240.391 1.645 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@H]12)[C@H]1CCCC[NH2+]1 ZINC000423062120 387866971 /nfs/dbraw/zinc/86/69/71/387866971.db2.gz SMKNEUGHOXZNDK-MRTXSQPYSA-N 2 0 238.375 1.674 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)C1 ZINC000643536436 387867410 /nfs/dbraw/zinc/86/74/10/387867410.db2.gz QUMFGXVTODFCPO-YNEHKIRRSA-N 2 0 238.375 1.676 20 0 BDADRP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@@H](C[NH3+])C(C)C ZINC000433121656 387867763 /nfs/dbraw/zinc/86/77/63/387867763.db2.gz SOJBBHBHFNXYQL-WCQYABFASA-N 2 0 243.395 1.097 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000423065322 387869213 /nfs/dbraw/zinc/86/92/13/387869213.db2.gz UBQONFUTLYKTHR-RHYQMDGZSA-N 2 0 226.364 1.124 20 0 BDADRP CO[C@@H]1CC[C@@H]([NH2+][C@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000423066003 387869243 /nfs/dbraw/zinc/86/92/43/387869243.db2.gz COVBNHSHWQUBHU-FDYHWXHSSA-N 2 0 226.364 1.674 20 0 BDADRP CC(C)[C@H](C[NH3+])C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000433133338 387869553 /nfs/dbraw/zinc/86/95/53/387869553.db2.gz ZASBDAXEFUOHQX-RYUDHWBXSA-N 2 0 243.395 1.049 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCOCC(F)F ZINC000423065805 387870101 /nfs/dbraw/zinc/87/01/01/387870101.db2.gz CMSWBSJCEXACQP-UWVGGRQHSA-N 2 0 236.306 1.246 20 0 BDADRP CCOC1CC(CC[NH2+][C@H](C)C[C@H](C)[NH3+])C1 ZINC000423069754 387871398 /nfs/dbraw/zinc/87/13/98/387871398.db2.gz LZCAIBZLNMKADJ-ZFDZMSFRSA-N 2 0 228.380 1.907 20 0 BDADRP CCC(O)(CC)CC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000423069828 387871649 /nfs/dbraw/zinc/87/16/49/387871649.db2.gz MJJVDYPTFOZCEF-NWDGAFQWSA-N 2 0 228.380 1.645 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000423070835 387871844 /nfs/dbraw/zinc/87/18/44/387871844.db2.gz DPEJVEBMGBJGEA-MGPQQGTHSA-N 2 0 237.391 1.473 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1ccco1 ZINC000422963125 387813907 /nfs/dbraw/zinc/81/39/07/387813907.db2.gz HPBJKKBRWDEBSN-AAEUAGOBSA-N 2 0 222.332 1.800 20 0 BDADRP CC[C@H](CN[C@H]1CCC[C@H]1C[NH3+])[NH+]1CCCC1 ZINC000422962518 387814662 /nfs/dbraw/zinc/81/46/62/387814662.db2.gz FYWOADSPPDODMD-MJBXVCDLSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@H]([NH3+])CN(CCO)[C@H]1CCc2ccccc21 ZINC000442659068 387815036 /nfs/dbraw/zinc/81/50/36/387815036.db2.gz ARGNDOZCTKVJBJ-FZMZJTMJSA-N 2 0 234.343 1.315 20 0 BDADRP CC[NH+](CC)CC1CCN(C[C@@H](C)[NH3+])CC1 ZINC000442660990 387817695 /nfs/dbraw/zinc/81/76/95/387817695.db2.gz FAEKGCHTJOPBGR-GFCCVEGCSA-N 2 0 227.396 1.387 20 0 BDADRP CCC(CC)[C@H](CN[C@@H]1CCC[C@@H]1[NH3+])[NH+](C)C ZINC000422968378 387818961 /nfs/dbraw/zinc/81/89/61/387818961.db2.gz WOYGITPDIKAEJA-MJBXVCDLSA-N 2 0 241.423 1.822 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000423105379 387891066 /nfs/dbraw/zinc/89/10/66/387891066.db2.gz IIWJBYHCRASBLV-RFGFWPKPSA-N 2 0 240.391 1.779 20 0 BDADRP CC[C@@H]([NH2+]Cc1cncn1C(C)C)C(=O)NC ZINC000424180006 387891417 /nfs/dbraw/zinc/89/14/17/387891417.db2.gz MVEJXBPROSUBQH-LLVKDONJSA-N 2 0 238.335 1.078 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000423105384 387891812 /nfs/dbraw/zinc/89/18/12/387891812.db2.gz IIWJBYHCRASBLV-ZOBORPQBSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H](CO)CC1CCCC1 ZINC000423106910 387892244 /nfs/dbraw/zinc/89/22/44/387892244.db2.gz RQHKINRYOXASCU-OUCADQQQSA-N 2 0 242.407 1.891 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCCOC(F)F ZINC000423109514 387893510 /nfs/dbraw/zinc/89/35/10/387893510.db2.gz HKQBTLZGQFIBHT-ZJUUUORDSA-N 2 0 236.306 1.865 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000423109698 387893526 /nfs/dbraw/zinc/89/35/26/387893526.db2.gz NZXIYQRIBCLMJB-YVECIDJPSA-N 2 0 226.364 1.389 20 0 BDADRP CC[C@@H]([NH2+]CC1(COC)CCC1)[C@@H]1CCC[NH2+]1 ZINC000423116017 387898065 /nfs/dbraw/zinc/89/80/65/387898065.db2.gz OQACKRFBKJALTM-OLZOCXBDSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000423116617 387898360 /nfs/dbraw/zinc/89/83/60/387898360.db2.gz QPUCOKBBCBTICK-UTINFBMNSA-N 2 0 236.306 1.862 20 0 BDADRP CC[C@@](C)(C[NH2+]C[C@H]1CCC[N@H+](C)C1)OC ZINC000322502273 387876768 /nfs/dbraw/zinc/87/67/68/387876768.db2.gz GKXVQPKNXTUNFX-OLZOCXBDSA-N 2 0 228.380 1.733 20 0 BDADRP CC[C@@H](NC[C@@H](C)[NH+](CC)CC)[C@@H]1CCC[NH2+]1 ZINC000423081062 387876732 /nfs/dbraw/zinc/87/67/32/387876732.db2.gz AZFCORZZDCXFCA-MCIONIFRSA-N 2 0 241.423 1.837 20 0 BDADRP CCOC1CC(O)(C[NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000423088890 387880509 /nfs/dbraw/zinc/88/05/09/387880509.db2.gz REMUMROWHNKPNR-HIFPTAJRSA-N 2 0 244.379 1.024 20 0 BDADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CN[C@@H]1CCC[C@@H]1[NH3+] ZINC000423085869 387881492 /nfs/dbraw/zinc/88/14/92/387881492.db2.gz LRQXJGFSGHBOSB-XQQFMLRXSA-N 2 0 239.407 1.576 20 0 BDADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC000423094968 387884703 /nfs/dbraw/zinc/88/47/03/387884703.db2.gz LBWAGTBCVGGOER-PWSUYJOCSA-N 2 0 240.347 1.060 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1OC(F)F)C1C[NH2+]C1 ZINC000423115900 387898752 /nfs/dbraw/zinc/89/87/52/387898752.db2.gz OMNGURQSSRRQGJ-JMJZKYOTSA-N 2 0 248.317 1.734 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](CO)CCC(C)(C)C ZINC000423099891 387887372 /nfs/dbraw/zinc/88/73/72/387887372.db2.gz UOFJQFOHSOVHNM-TUAOUCFPSA-N 2 0 230.396 1.889 20 0 BDADRP CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000423120954 387900516 /nfs/dbraw/zinc/90/05/16/387900516.db2.gz ACOMJNXZDJTNAK-QJPTWQEYSA-N 2 0 241.379 1.008 20 0 BDADRP CC(C)[N@@H+](C)C[C@@H](C)N[C@H](C)C[C@H](C)[NH3+] ZINC000423119457 387901356 /nfs/dbraw/zinc/90/13/56/387901356.db2.gz CKLIUTQPKVLITO-QJPTWQEYSA-N 2 0 215.385 1.431 20 0 BDADRP CCC[C@H](C)C(=O)NCC[NH2+][C@H](C)CCC[NH3+] ZINC000423126899 387905041 /nfs/dbraw/zinc/90/50/41/387905041.db2.gz JGHGLPHZAISOTE-NWDGAFQWSA-N 2 0 243.395 1.256 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCc1cn[nH]c1 ZINC000423126618 387905054 /nfs/dbraw/zinc/90/50/54/387905054.db2.gz RYLVSZLXHAZGLU-RYUDHWBXSA-N 2 0 222.336 1.202 20 0 BDADRP CCOCC(C)(C)C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000423126695 387905412 /nfs/dbraw/zinc/90/54/12/387905412.db2.gz SKSFLEQHWBLDDX-GHMZBOCLSA-N 2 0 214.353 1.519 20 0 BDADRP COCC1(CC[NH2+][C@H](C)[C@H]2CCC[NH2+]2)CCC1 ZINC000423133064 387910427 /nfs/dbraw/zinc/91/04/27/387910427.db2.gz KCSCAQDHIXLFAC-CHWSQXEVSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H](F)CC[NH2+]C1CCC(C[NH3+])CC1 ZINC000423133913 387912134 /nfs/dbraw/zinc/91/21/34/387912134.db2.gz LLMHDKGOBIPURT-KPPDAEKUSA-N 2 0 202.317 1.842 20 0 BDADRP CCCN(CC)C[C@H](C)[NH2+][C@@H](C)CCC[NH3+] ZINC000423137598 387913345 /nfs/dbraw/zinc/91/33/45/387913345.db2.gz IGBXAFRIESQMCF-STQMWFEESA-N 2 0 229.412 1.824 20 0 BDADRP CCCN(CC)C[C@H](C)[NH2+][C@H](C)CCC[NH3+] ZINC000423137596 387914307 /nfs/dbraw/zinc/91/43/07/387914307.db2.gz IGBXAFRIESQMCF-OLZOCXBDSA-N 2 0 229.412 1.824 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@H](CO)C1CCCCC1 ZINC000423135885 387914490 /nfs/dbraw/zinc/91/44/90/387914490.db2.gz OLDPVHZIZJRIRK-TZMCWYRMSA-N 2 0 242.407 1.892 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H](F)C1 ZINC000423135932 387914664 /nfs/dbraw/zinc/91/46/64/387914664.db2.gz YKHIEJRUXKDHDS-YFKTTZPYSA-N 2 0 214.328 1.984 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000423137609 387914772 /nfs/dbraw/zinc/91/47/72/387914772.db2.gz IHVLLOKAJCENAN-GMTAPVOTSA-N 2 0 200.326 1.142 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@H](CO)C1CCCCC1 ZINC000423138797 387915699 /nfs/dbraw/zinc/91/56/99/387915699.db2.gz UDTLETZVNUDORD-MGPQQGTHSA-N 2 0 240.391 1.645 20 0 BDADRP CC[C@H]([NH2+][C@H](C)CCCC[NH3+])[C@@H](O)C(F)F ZINC000423152136 387930030 /nfs/dbraw/zinc/93/00/30/387930030.db2.gz DPZZYDCGAZJGEO-KXUCPTDWSA-N 2 0 238.322 1.498 20 0 BDADRP CCc1ncc(C[NH2+][C@H](C)CCCC[NH3+])o1 ZINC000423154021 387932208 /nfs/dbraw/zinc/93/22/08/387932208.db2.gz IMKQJEYXEIOGQM-SNVBAGLBSA-N 2 0 225.336 1.844 20 0 BDADRP CC/C=C/C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000423156253 387934173 /nfs/dbraw/zinc/93/41/73/387934173.db2.gz KUYFSCJUBAJBSR-VWLQNONNSA-N 2 0 212.337 1.295 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C1CC(C)(F)C1 ZINC000423145209 387922070 /nfs/dbraw/zinc/92/20/70/387922070.db2.gz JOANCHGKOTXLGX-WHXUTIOJSA-N 2 0 202.317 1.984 20 0 BDADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC000423163831 387922328 /nfs/dbraw/zinc/92/23/28/387922328.db2.gz NOLWXUKMZJZUCV-RVMXOQNASA-N 2 0 226.364 1.659 20 0 BDADRP Cc1cccnc1CC[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423146864 387925025 /nfs/dbraw/zinc/92/50/25/387925025.db2.gz BJVWHPPRDFEUMF-VXGBXAGGSA-N 2 0 221.348 1.648 20 0 BDADRP Cc1cccnc1CC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423146862 387925467 /nfs/dbraw/zinc/92/54/67/387925467.db2.gz BJVWHPPRDFEUMF-NWDGAFQWSA-N 2 0 221.348 1.648 20 0 BDADRP CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000423149797 387926928 /nfs/dbraw/zinc/92/69/28/387926928.db2.gz IBQBUEXRZXPLSK-ZDEQEGDKSA-N 2 0 210.365 1.996 20 0 BDADRP Cc1cc(C)c(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cn1 ZINC000423150347 387926996 /nfs/dbraw/zinc/92/69/96/387926996.db2.gz BQHYFIUPDXRTKO-PWSUYJOCSA-N 2 0 221.348 1.914 20 0 BDADRP CCO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C1C[NH2+]C1 ZINC000423169183 387955481 /nfs/dbraw/zinc/95/54/81/387955481.db2.gz VPQHOXMGHFEEOT-RAIGVLPGSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@H](NCC[N@H+]1CC=CCC1)[C@H]1CCCC[NH2+]1 ZINC000392322590 387955570 /nfs/dbraw/zinc/95/55/70/387955570.db2.gz VYAZSJHQDCRTKM-UONOGXRCSA-N 2 0 237.391 1.369 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@@H](C)CCC[NH3+])C1 ZINC000423158483 387939638 /nfs/dbraw/zinc/93/96/38/387939638.db2.gz CUQARDLHNRTZMD-GARJFASQSA-N 2 0 200.326 1.271 20 0 BDADRP Cc1cc(NC[C@@H]2CCC[N@@H+]2CCCO)cc[nH+]1 ZINC000450600682 387940385 /nfs/dbraw/zinc/94/03/85/387940385.db2.gz WMKBPGQRZJOIFS-AWEZNQCLSA-N 2 0 249.358 1.071 20 0 BDADRP C[C@@H]([NH2+]CCOCC1CCCC1)C1C[NH2+]C1 ZINC000423159825 387940370 /nfs/dbraw/zinc/94/03/70/387940370.db2.gz GQJVTRNKUYNOSU-LLVKDONJSA-N 2 0 226.364 1.391 20 0 BDADRP CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000423160616 387942201 /nfs/dbraw/zinc/94/22/01/387942201.db2.gz ZWXHTINHIVUJIL-HTVCTNPSSA-N 2 0 240.391 1.620 20 0 BDADRP CO[C@@H]([C@H](C)[NH2+]C1CCC(C[NH3+])CC1)C1CC1 ZINC000423162297 387943547 /nfs/dbraw/zinc/94/35/47/387943547.db2.gz OZXOINKQNNMUAF-PSPOIRCVSA-N 2 0 240.391 1.907 20 0 BDADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1C[C@@H](O)C1 ZINC000423161637 387944035 /nfs/dbraw/zinc/94/40/35/387944035.db2.gz JLYBHDWGDOQXEB-QNWHQSFQSA-N 2 0 226.364 1.410 20 0 BDADRP Cc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1 ZINC000423163293 387945716 /nfs/dbraw/zinc/94/57/16/387945716.db2.gz MNLXXCGSCMXJPL-YIONKMFJSA-N 2 0 245.370 1.805 20 0 BDADRP CCN(C)C(=O)[C@@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])C(C)C ZINC000423163989 387946626 /nfs/dbraw/zinc/94/66/26/387946626.db2.gz WIQCOMIWYQCKDX-WOPDTQHZSA-N 2 0 243.395 1.205 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000423164881 387947942 /nfs/dbraw/zinc/94/79/42/387947942.db2.gz TWUJXHJPUUPVPE-XQQFMLRXSA-N 2 0 228.380 1.645 20 0 BDADRP CCn1cc([C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cn1 ZINC000423164934 387948195 /nfs/dbraw/zinc/94/81/95/387948195.db2.gz UBVPSOOXTFZHCT-WCQYABFASA-N 2 0 236.363 1.696 20 0 BDADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])C1 ZINC000423166231 387950033 /nfs/dbraw/zinc/95/00/33/387950033.db2.gz QZIISFOYKGVMDD-KXNHARMFSA-N 2 0 214.353 1.658 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000423166367 387950718 /nfs/dbraw/zinc/95/07/18/387950718.db2.gz CLNAHPQYCFETSQ-NDBYEHHHSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)[C@@H]1CCC[NH2+]1 ZINC000423170883 387958127 /nfs/dbraw/zinc/95/81/27/387958127.db2.gz NAEWIVHUIZEIFZ-MCIONIFRSA-N 3 0 239.407 1.448 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+][C@@H](C)C2C[NH2+]C2)C12CCC2 ZINC000423172790 387959735 /nfs/dbraw/zinc/95/97/35/387959735.db2.gz VGENCBOOCHAKQR-ZMLRMANQSA-N 2 0 224.348 1.142 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@@H](CO)C1)[C@@H]1CCCC[NH2+]1 ZINC000423175233 387961383 /nfs/dbraw/zinc/96/13/83/387961383.db2.gz DMIXETXWUMXWIN-CRWXNKLISA-N 2 0 240.391 1.658 20 0 BDADRP C[C@@H]1CCC[C@H]([NH+]2CCC(NCC[NH3+])CC2)C1 ZINC000423175214 387962595 /nfs/dbraw/zinc/96/25/95/387962595.db2.gz DKTHSXAZPKUWQE-OCCSQVGLSA-N 2 0 239.407 1.578 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000423178176 387964825 /nfs/dbraw/zinc/96/48/25/387964825.db2.gz HWCBZQNRFVFMRN-WHOHXGKFSA-N 2 0 220.316 1.853 20 0 BDADRP C[C@H]([NH2+]CCC[NH3+])c1cnn(C2CCCC2)c1 ZINC000423184800 387969201 /nfs/dbraw/zinc/96/92/01/387969201.db2.gz IQZIBZKZIKVSNH-NSHDSACASA-N 2 0 236.363 1.998 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]CCC[NH3+])C1(CC)CC ZINC000423184366 387969228 /nfs/dbraw/zinc/96/92/28/387969228.db2.gz IMMOBDLHSFRARB-VXGBXAGGSA-N 2 0 228.380 1.909 20 0 BDADRP C[NH2+]CCC[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000423194895 387979430 /nfs/dbraw/zinc/97/94/30/387979430.db2.gz ZKGXLKLDFJXDPS-LLVKDONJSA-N 2 0 222.332 1.955 20 0 BDADRP CC[NH+](CC)CCN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400499002 387980081 /nfs/dbraw/zinc/98/00/81/387980081.db2.gz ICQJSXWDJHIHQM-RYUDHWBXSA-N 2 0 213.369 1.058 20 0 BDADRP CC[C@H]([NH2+]CCC[NH3+])C1(C(=O)OC)CCC1 ZINC000423188308 387972944 /nfs/dbraw/zinc/97/29/44/387972944.db2.gz LNQRVTHJDPEBIV-JTQLQIEISA-N 2 0 228.336 1.047 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1C[C@H](C)O[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423188862 387974578 /nfs/dbraw/zinc/97/45/78/387974578.db2.gz QRIQWRFYRWXHDV-PEDHHIEDSA-N 2 0 240.391 1.920 20 0 BDADRP COC(=O)c1csc([C@@H](C)[NH2+]CCC[NH3+])c1 ZINC000423190770 387975721 /nfs/dbraw/zinc/97/57/21/387975721.db2.gz OFKKXMBCMLYQDY-MRVPVSSYSA-N 2 0 242.344 1.534 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CS1 ZINC000423191432 387976085 /nfs/dbraw/zinc/97/60/85/387976085.db2.gz SWQIIHLMSRLROL-GDGRRUBZSA-N 2 0 226.389 1.753 20 0 BDADRP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)[C@H](O)C(C)C ZINC000423190926 387976330 /nfs/dbraw/zinc/97/63/30/387976330.db2.gz SERDGWXZLGSZSY-MROQNXINSA-N 2 0 228.380 1.512 20 0 BDADRP Cc1cccc([C@H](C)[NH2+]CCN2CC[NH2+]CC2)c1 ZINC000423203755 387989505 /nfs/dbraw/zinc/98/95/05/387989505.db2.gz NHBKIWRYBPNTPK-AWEZNQCLSA-N 2 0 247.386 1.551 20 0 BDADRP C[C@H]1C[C@@H](C[NH2+][C@@H]2CCCC[C@H]2[NH3+])CC[NH2+]1 ZINC000424362814 387990686 /nfs/dbraw/zinc/99/06/86/387990686.db2.gz AZSMRDQOSIHXBI-WUHRBBMRSA-N 3 0 225.380 1.234 20 0 BDADRP CC[C@@H]1CCCC[C@@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000423207152 387991498 /nfs/dbraw/zinc/99/14/98/387991498.db2.gz RGXIJYMTHPUVGR-KGLIPLIRSA-N 2 0 239.407 1.450 20 0 BDADRP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CCN2CC[NH2+]CC2)C1 ZINC000423210145 387992710 /nfs/dbraw/zinc/99/27/10/387992710.db2.gz VYQAJBCROSQCHT-MCIONIFRSA-N 2 0 239.407 1.306 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000423207671 387992898 /nfs/dbraw/zinc/99/28/98/387992898.db2.gz YBQUCFOCKPCBAX-UTUOFQBUSA-N 2 0 226.364 1.389 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1 ZINC000423209144 387993731 /nfs/dbraw/zinc/99/37/31/387993731.db2.gz ZRUDYPVQRCZEDC-NSHDSACASA-N 2 0 249.358 1.905 20 0 BDADRP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCC[NH3+] ZINC000423197229 387982211 /nfs/dbraw/zinc/98/22/11/387982211.db2.gz YMGROEXRIOAHKP-TVQRCGJNSA-N 2 0 222.307 1.997 20 0 BDADRP C[NH2+]CCC[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000423198858 387984333 /nfs/dbraw/zinc/98/43/33/387984333.db2.gz IIPVJZZUKYWWGN-LLVKDONJSA-N 2 0 234.343 1.977 20 0 BDADRP CCC1(CC)[C@@H]([NH2+]CCC[NH2+]C)C[C@@H]1OC ZINC000423198723 387984790 /nfs/dbraw/zinc/98/47/90/387984790.db2.gz HLVRTQJADOUUAV-RYUDHWBXSA-N 2 0 228.380 1.779 20 0 BDADRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1cccs1 ZINC000423200195 387985955 /nfs/dbraw/zinc/98/59/55/387985955.db2.gz DTQNBNOGJZRLSZ-LLVKDONJSA-N 2 0 239.388 1.304 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000423202252 387987220 /nfs/dbraw/zinc/98/72/20/387987220.db2.gz QLBJZNBLAIEPCB-HZSPNIEDSA-N 2 0 240.391 1.781 20 0 BDADRP COC[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)C(C)C ZINC000156551701 387998433 /nfs/dbraw/zinc/99/84/33/387998433.db2.gz FQEGEXYBEFFCNQ-UPJWGTAASA-N 2 0 228.380 1.730 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423218915 387999592 /nfs/dbraw/zinc/99/95/92/387999592.db2.gz SLHXWTJDRBKJCK-IRCOFANPSA-N 2 0 214.353 1.388 20 0 BDADRP c1cnn(CC[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420405895 388000245 /nfs/dbraw/zinc/00/02/45/388000245.db2.gz UESZNRORZXTEIS-KGLIPLIRSA-N 2 0 248.374 1.347 20 0 BDADRP Cc1cncc([C@@H](C)[NH2+]CC[C@H](C)[NH3+])c1 ZINC000423224746 388007292 /nfs/dbraw/zinc/00/72/92/388007292.db2.gz KCRSSGRXPXIEJB-WDEREUQCSA-N 2 0 207.321 1.778 20 0 BDADRP C[C@H](Cc1ccoc1)[NH2+]CCOCC[NH+](C)C ZINC000453209936 388011197 /nfs/dbraw/zinc/01/11/97/388011197.db2.gz CPPXTONMQRKSOR-GFCCVEGCSA-N 2 0 240.347 1.378 20 0 BDADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]CC[C@H](C)[NH3+] ZINC000423226213 388010151 /nfs/dbraw/zinc/01/01/51/388010151.db2.gz PTTMLAWQXAQTTN-SRVKXCTJSA-N 2 0 214.353 1.519 20 0 BDADRP CCOC[C@@H]1CCC[C@H]1[NH2+]CC[C@H](C)[NH3+] ZINC000423226212 388010161 /nfs/dbraw/zinc/01/01/61/388010161.db2.gz PTTMLAWQXAQTTN-SDDRHHMPSA-N 2 0 214.353 1.519 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])[C@H]1CCOC1 ZINC000424370901 387996734 /nfs/dbraw/zinc/99/67/34/387996734.db2.gz DYYAJPBJUJIDGE-QNWHQSFQSA-N 2 0 226.364 1.661 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423230869 388015009 /nfs/dbraw/zinc/01/50/09/388015009.db2.gz FMLLWODLBMXIGT-AVGNSLFASA-N 2 0 226.364 1.533 20 0 BDADRP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423230711 388015957 /nfs/dbraw/zinc/01/59/57/388015957.db2.gz FEBVUYCDKLDPPN-RWMBFGLXSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000423234119 388018630 /nfs/dbraw/zinc/01/86/30/388018630.db2.gz PCFFHHRHZOIZGW-UWVGGRQHSA-N 2 0 236.315 1.803 20 0 BDADRP CCC[N@H+](CC)CCN[C@H]1CC[NH+](C)C[C@@H]1C ZINC000156794643 388034938 /nfs/dbraw/zinc/03/49/38/388034938.db2.gz UCSIHKNYUFXXSP-KBPBESRZSA-N 2 0 241.423 1.648 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1NC[C@@H]([NH3+])c1ccccc1 ZINC000423254581 388034960 /nfs/dbraw/zinc/03/49/60/388034960.db2.gz YOWGDDSIFNXSKR-BFHYXJOUSA-N 2 0 233.359 1.403 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccnn1C ZINC000423255986 388036569 /nfs/dbraw/zinc/03/65/69/388036569.db2.gz BDVBUUJYSBSCAA-NWDGAFQWSA-N 2 0 236.363 1.460 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423256079 388036881 /nfs/dbraw/zinc/03/68/81/388036881.db2.gz DJTGVOPWYRTZPQ-MCIONIFRSA-N 3 0 239.407 1.306 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000082645595 388039128 /nfs/dbraw/zinc/03/91/28/388039128.db2.gz UAYGNPMQWHSRRN-DGCLKSJQSA-N 2 0 219.332 1.641 20 0 BDADRP CC(C)C[C@H](CN)[NH2+][C@H](C)CCCC[NH3+] ZINC000423262372 388041035 /nfs/dbraw/zinc/04/10/35/388041035.db2.gz MFYALEBPEUFAFM-VXGBXAGGSA-N 2 0 215.385 1.467 20 0 BDADRP CC(C)C[C@H](C[NH3+])N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000423264001 388042483 /nfs/dbraw/zinc/04/24/83/388042483.db2.gz PJYQIRWXMBJKRS-XQQFMLRXSA-N 2 0 239.407 1.575 20 0 BDADRP CC[C@@H]([NH2+]C[C@H]1CCCCN1CCO)C1CC1 ZINC000453273801 388030234 /nfs/dbraw/zinc/03/02/34/388030234.db2.gz VZSDINAAWOPNPA-ZIAGYGMSSA-N 2 0 240.391 1.611 20 0 BDADRP CC[C@H](C)[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000453275550 388030583 /nfs/dbraw/zinc/03/05/83/388030583.db2.gz WYQMJBHGKNDIQY-NWDGAFQWSA-N 2 0 214.353 1.221 20 0 BDADRP COCCC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000423272384 388050995 /nfs/dbraw/zinc/05/09/95/388050995.db2.gz HXQPIKGNTORRAS-XQQFMLRXSA-N 2 0 228.380 1.909 20 0 BDADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000423273368 388053174 /nfs/dbraw/zinc/05/31/74/388053174.db2.gz KLKBNLSEOJITEF-UMSGYPCISA-N 2 0 240.391 1.763 20 0 BDADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]([NH3+])C(C)C ZINC000423278604 388059694 /nfs/dbraw/zinc/05/96/94/388059694.db2.gz QYTHJFWFWMFYNI-AVGNSLFASA-N 2 0 228.380 1.765 20 0 BDADRP COC[C@@H]([NH2+]CC(C)(C)[NH3+])C1CCCC1 ZINC000423281166 388064141 /nfs/dbraw/zinc/06/41/41/388064141.db2.gz APMHEEMJDGXMKQ-LLVKDONJSA-N 2 0 214.353 1.519 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423282267 388064915 /nfs/dbraw/zinc/06/49/15/388064915.db2.gz VRNQCYXQEQWGOZ-UTUOFQBUSA-N 2 0 213.369 1.090 20 0 BDADRP CC[N@@H+]1C[C@@H](C)[C@H](NCC([NH3+])(CC)CC)C1 ZINC000423283955 388067104 /nfs/dbraw/zinc/06/71/04/388067104.db2.gz GCXAEIMMSNYOCX-VXGBXAGGSA-N 2 0 227.396 1.434 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000423284248 388067155 /nfs/dbraw/zinc/06/71/55/388067155.db2.gz WTVBCWRFRZDVIV-UTUOFQBUSA-N 3 0 213.369 1.221 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000423285309 388068240 /nfs/dbraw/zinc/06/82/40/388068240.db2.gz ZINLJTWXOLGYCA-QJPTWQEYSA-N 2 0 216.344 1.960 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000423284824 388069165 /nfs/dbraw/zinc/06/91/65/388069165.db2.gz YQGOBICJZMKQDW-NTZNESFSSA-N 2 0 225.380 1.185 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)[C@@H]1CCOC1 ZINC000423284791 388069307 /nfs/dbraw/zinc/06/93/07/388069307.db2.gz YLFOZKPPSDNNPE-UTUOFQBUSA-N 2 0 214.353 1.374 20 0 BDADRP CCC([NH3+])(CC)CN[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000423286508 388071140 /nfs/dbraw/zinc/07/11/40/388071140.db2.gz HSDDCLGMABBFFB-NWDGAFQWSA-N 2 0 239.407 1.719 20 0 BDADRP CCC([NH3+])(CC)C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000423286853 388071214 /nfs/dbraw/zinc/07/12/14/388071214.db2.gz JCUHDZSZNOJJBW-WDEREUQCSA-N 2 0 214.353 1.661 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)[NH3+] ZINC000423287698 388073346 /nfs/dbraw/zinc/07/33/46/388073346.db2.gz NWUUCBJRIZULSR-QWRGUYRKSA-N 2 0 214.353 1.519 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453402160 388073624 /nfs/dbraw/zinc/07/36/24/388073624.db2.gz NFHWAJPWTHVYBZ-VXGBXAGGSA-N 2 0 228.380 1.874 20 0 BDADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cn1 ZINC000084221737 388075658 /nfs/dbraw/zinc/07/56/58/388075658.db2.gz VCKJGWHCNOEEHO-QWHCGFSZSA-N 2 0 219.332 1.607 20 0 BDADRP C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)[C@H]1CCC[NH2+]1 ZINC000423293150 388075691 /nfs/dbraw/zinc/07/56/91/388075691.db2.gz PZHKECAGRXWNQK-YWPYICTPSA-N 2 0 247.386 1.936 20 0 BDADRP CCC([NH3+])(CC)C[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000423291389 388075871 /nfs/dbraw/zinc/07/58/71/388075871.db2.gz ICRMPNPMWLPBRR-GMTAPVOTSA-N 2 0 214.353 1.659 20 0 BDADRP CCC(CC)(C[NH3+])C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000447521822 388076210 /nfs/dbraw/zinc/07/62/10/388076210.db2.gz XGPBCBFTQZGXNG-QWRGUYRKSA-N 2 0 241.379 1.008 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000423294606 388077743 /nfs/dbraw/zinc/07/77/43/388077743.db2.gz CIZYJGMKTUSDFA-JHJVBQTASA-N 2 0 239.407 1.719 20 0 BDADRP CCCC[C@@H](C[NH3+])N[C@H](C)[C@H]1CCC[NH2+]1 ZINC000423297756 388079658 /nfs/dbraw/zinc/07/96/58/388079658.db2.gz LTQRGNRWVHPCQS-GRYCIOLGSA-N 2 0 213.369 1.234 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@@H]1C[N@H+](CC)C[C@H]1C ZINC000423297956 388079953 /nfs/dbraw/zinc/07/99/53/388079953.db2.gz MNZTUHFRTUXDCD-JHJVBQTASA-N 2 0 227.396 1.434 20 0 BDADRP CC[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc(F)cn1 ZINC000423298486 388080013 /nfs/dbraw/zinc/08/00/13/388080013.db2.gz AEVVFADLBSSOQC-GXSJLCMTSA-N 2 0 225.311 1.856 20 0 BDADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCC12CCCC2 ZINC000447602328 388081993 /nfs/dbraw/zinc/08/19/93/388081993.db2.gz UGCWZZYHHLDCPA-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](C)N(C)C1CC1 ZINC000336660498 388091469 /nfs/dbraw/zinc/09/14/69/388091469.db2.gz NNXSEBLIWIEMPG-RYUDHWBXSA-N 2 0 227.396 1.576 20 0 BDADRP C[NH+](C)CCC[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085670705 388093260 /nfs/dbraw/zinc/09/32/60/388093260.db2.gz TTYRODJTALHHOS-XQQFMLRXSA-N 2 0 240.391 1.731 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000423268326 388047023 /nfs/dbraw/zinc/04/70/23/388047023.db2.gz FZLMBVLTFCKEDN-JQWIXIFHSA-N 2 0 236.363 1.243 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1cn[nH]c1 ZINC000423268371 388047818 /nfs/dbraw/zinc/04/78/18/388047818.db2.gz GEJMWJOHWPKDGG-MNOVXSKESA-N 2 0 222.336 1.450 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H](CN)C1CCCCC1 ZINC000423270827 388049924 /nfs/dbraw/zinc/04/99/24/388049924.db2.gz WZOLYKKRSKAWEX-DGCLKSJQSA-N 2 0 227.396 1.611 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1cncc(C)c1 ZINC000423272018 388050655 /nfs/dbraw/zinc/05/06/55/388050655.db2.gz JOAOCHVYRMXZRV-NWDGAFQWSA-N 2 0 221.348 1.896 20 0 BDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)CC[C@@H](C)[NH3+] ZINC000646012422 388124089 /nfs/dbraw/zinc/12/40/89/388124089.db2.gz OMXUBAUMSCICGP-VXGBXAGGSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@H]1CC[N@H+](CCC[NH+]2CCCCC2)C[C@@H]1O ZINC000162225675 388128385 /nfs/dbraw/zinc/12/83/85/388128385.db2.gz ZJDMBRNBCPNDAA-KBPBESRZSA-N 2 0 240.391 1.565 20 0 BDADRP CC(C)CC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103352 388142943 /nfs/dbraw/zinc/14/29/43/388142943.db2.gz DDVOZGWQGRGBRK-UHFFFAOYSA-N 2 0 240.391 1.829 20 0 BDADRP C[NH+]1CCC2(CC1)C[N@@H+](C1CCCC1)CCO2 ZINC000646105689 388143208 /nfs/dbraw/zinc/14/32/08/388143208.db2.gz CSAPNRBVBUUJQH-UHFFFAOYSA-N 2 0 238.375 1.726 20 0 BDADRP CC(C)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103862 388143401 /nfs/dbraw/zinc/14/34/01/388143401.db2.gz QVXULCQNOMUXJE-UHFFFAOYSA-N 2 0 226.364 1.439 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000449649049 388248503 /nfs/dbraw/zinc/24/85/03/388248503.db2.gz RLWCDRMTGAQQPF-TUAOUCFPSA-N 2 0 241.379 1.138 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000449680524 388251276 /nfs/dbraw/zinc/25/12/76/388251276.db2.gz BZSUCJGPLSCWLN-YPMHNXCESA-N 2 0 241.379 1.152 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000449675314 388251475 /nfs/dbraw/zinc/25/14/75/388251475.db2.gz ZHLOBYQQWWFXCP-SNVBAGLBSA-N 2 0 247.342 1.616 20 0 BDADRP CC1(C)CC([NH2+]C[C@H]2CCCN2CCCO)C1 ZINC000449386975 388191098 /nfs/dbraw/zinc/19/10/98/388191098.db2.gz KFFQCNXYZSYQIA-CYBMUJFWSA-N 2 0 240.391 1.611 20 0 BDADRP COC[C@@H](C)[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000090668895 256581449 /nfs/dbraw/zinc/58/14/49/256581449.db2.gz BPWPXVCUWKYTLK-PNESKVBLSA-N 2 0 228.380 1.731 20 0 BDADRP CC(C)[C@H]([NH3+])C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000489459916 388216067 /nfs/dbraw/zinc/21/60/67/388216067.db2.gz AFMSNLYCFDSYPO-SKDRFNHKSA-N 2 0 235.331 1.628 20 0 BDADRP CCC[C@@H]([NH3+])C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000489468824 388217666 /nfs/dbraw/zinc/21/76/66/388217666.db2.gz JIIQQCIQMBNPBF-ZWNOBZJWSA-N 2 0 249.358 1.450 20 0 BDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH3+] ZINC000449569336 388234811 /nfs/dbraw/zinc/23/48/11/388234811.db2.gz BEBNIGLPCXUSRY-RYUDHWBXSA-N 2 0 241.379 1.104 20 0 BDADRP OCC1(CC[NH2+]Cc2cccc3nccn32)CC1 ZINC000449581193 388237876 /nfs/dbraw/zinc/23/78/76/388237876.db2.gz XXLIGPDQTCERNQ-UHFFFAOYSA-N 2 0 245.326 1.587 20 0 BDADRP CC[C@H]([NH3+])CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000449608678 388241411 /nfs/dbraw/zinc/24/14/11/388241411.db2.gz JLAVEMLFPQGZMA-RYUDHWBXSA-N 2 0 241.379 1.104 20 0 BDADRP CC[C@H](C)[NH+]1CCN(Cc2cncn2C)CC1 ZINC000449625002 388244870 /nfs/dbraw/zinc/24/48/70/388244870.db2.gz QPWPMGWJEAVFJH-LBPRGKRZSA-N 2 0 236.363 1.336 20 0 BDADRP CC[C@@H]1C[C@@H](C[NH2+]C[C@@H](C)C[NH+](C)C)CCO1 ZINC000491572111 388304443 /nfs/dbraw/zinc/30/44/43/388304443.db2.gz LDUGUTSJASVXIP-HZSPNIEDSA-N 2 0 242.407 1.979 20 0 BDADRP Cc1[nH+]ccc(N(C)C2C[NH2+]C2)c1Cl ZINC000261530420 135157973 /nfs/dbraw/zinc/15/79/73/135157973.db2.gz ZSRMZGUOUQPPAO-UHFFFAOYSA-N 2 0 211.696 1.451 20 0 BDADRP CC(C)([NH3+])CNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000572619060 388361640 /nfs/dbraw/zinc/36/16/40/388361640.db2.gz JVGHYCROPGADLA-GFCCVEGCSA-N 2 0 249.358 1.320 20 0 BDADRP COCC[C@H](C)[NH2+]C[C@H]1CCCN1CCOC ZINC000163431027 388362056 /nfs/dbraw/zinc/36/20/56/388362056.db2.gz BFOQBLCIRWHZCE-QWHCGFSZSA-N 2 0 244.379 1.112 20 0 BDADRP COC[C@H](C)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000572643162 388362881 /nfs/dbraw/zinc/36/28/81/388362881.db2.gz LLRSYORXGJRULH-HZSPNIEDSA-N 2 0 240.391 1.590 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000300376714 388363733 /nfs/dbraw/zinc/36/37/33/388363733.db2.gz JXEBAUYMGZKLKM-YFKTTZPYSA-N 2 0 212.337 1.223 20 0 BDADRP C[C@@H]1C[C@H](CN(C)CC(F)F)CC[NH2+]1 ZINC000235274256 388366668 /nfs/dbraw/zinc/36/66/68/388366668.db2.gz VOLCQVVXEGPOPV-RKDXNWHRSA-N 2 0 206.280 1.571 20 0 BDADRP Cc1ccccc1C[C@@H](C)[NH2+][C@H](C)CN ZINC000235461693 388369501 /nfs/dbraw/zinc/36/95/01/388369501.db2.gz PIBVJKMFCMZMPQ-VXGBXAGGSA-N 2 0 206.333 1.863 20 0 BDADRP CC1(C)[C@@H](O)C[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000163874945 388369705 /nfs/dbraw/zinc/36/97/05/388369705.db2.gz BBJWJZJGRNNZFT-STQMWFEESA-N 2 0 240.391 1.611 20 0 BDADRP C[C@H]1C[C@@H](C[N@H+](C)C[C@@H]2CCCO2)CC[NH2+]1 ZINC000235697498 388374216 /nfs/dbraw/zinc/37/42/16/388374216.db2.gz YTTYXAJJWPTPPX-AVGNSLFASA-N 2 0 226.364 1.485 20 0 BDADRP COC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000397230868 388405872 /nfs/dbraw/zinc/40/58/72/388405872.db2.gz FVXNDCJYJXCTIY-TUAOUCFPSA-N 2 0 212.337 1.271 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000236800584 388383610 /nfs/dbraw/zinc/38/36/10/388383610.db2.gz WLGNETSVSNNZGD-GFCCVEGCSA-N 2 0 241.379 1.010 20 0 BDADRP C[C@@H]([N@H+](C)CCOCC[NH3+])C1(C)CC1 ZINC000261536020 135171030 /nfs/dbraw/zinc/17/10/30/135171030.db2.gz QBXQSUKCCSHATI-SNVBAGLBSA-N 2 0 200.326 1.082 20 0 BDADRP CC1(C)C[NH2+][C@@H]1C(=O)Nc1cccc(C[NH3+])c1 ZINC000646578680 388387611 /nfs/dbraw/zinc/38/76/11/388387611.db2.gz AUHCCJZWOAOTJB-LLVKDONJSA-N 2 0 233.315 1.082 20 0 BDADRP C[C@@H]1CCC[C@@H]([NH2+]C[C@](C)(O)C[NH+](C)C)CC1 ZINC000300695548 388388354 /nfs/dbraw/zinc/38/83/54/388388354.db2.gz LVJNPCPIVAQEPJ-MCIONIFRSA-N 2 0 242.407 1.857 20 0 BDADRP CN(C)c1cc(NC(=O)/C=C\C[NH+](C)C)ccn1 ZINC000492097560 388335035 /nfs/dbraw/zinc/33/50/35/388335035.db2.gz WZFVAZZAMVIWNY-WAYWQWQTSA-N 2 0 248.330 1.204 20 0 BDADRP C[NH+]1CCC(CC[NH2+][C@H]2CCOC2(C)C)CC1 ZINC000336907019 388442227 /nfs/dbraw/zinc/44/22/27/388442227.db2.gz YOLAMUDIQMKFEE-ZDUSSCGKSA-N 2 0 240.391 1.875 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)CCC[NH3+])C1(C)C ZINC000336674641 388462651 /nfs/dbraw/zinc/46/26/51/388462651.db2.gz UWNUCZMFRXESJO-IJLUTSLNSA-N 2 0 228.380 1.907 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCN1CCCCCC1 ZINC000336713253 388466059 /nfs/dbraw/zinc/46/60/59/388466059.db2.gz OKAWOQWTMNOTRF-CQSZACIVSA-N 2 0 241.423 1.970 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](Cc2ccccn2)C[C@@H]1C[NH3+] ZINC000397405811 388467253 /nfs/dbraw/zinc/46/72/53/388467253.db2.gz SZQDZOOSZMHUPF-AGIUHOORSA-N 2 0 233.359 1.887 20 0 BDADRP CC(C)CCC[NH2+]CCCN1CC[NH+](C)CC1 ZINC000338429416 388475334 /nfs/dbraw/zinc/47/53/34/388475334.db2.gz GIRRYGUSNJYRPB-UHFFFAOYSA-N 2 0 241.423 1.650 20 0 BDADRP C[C@H](Cn1ccnc1)[NH2+][C@@H]1CSC[C@@H]1C ZINC000296330370 388421769 /nfs/dbraw/zinc/42/17/69/388421769.db2.gz HQETVJZNWBGAKE-HBNTYKKESA-N 2 0 225.361 1.613 20 0 BDADRP CC(C)C[C@H]1CC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000307821764 388427827 /nfs/dbraw/zinc/42/78/27/388427827.db2.gz VFEDYDJQRFRIDO-CQSZACIVSA-N 2 0 239.407 1.260 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H]2C(F)F)[C@@H](C)C1 ZINC000393522299 388432148 /nfs/dbraw/zinc/43/21/48/388432148.db2.gz QGSOOUUZVCNUDB-MMWGEVLESA-N 2 0 232.318 1.960 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC000356874442 388550754 /nfs/dbraw/zinc/55/07/54/388550754.db2.gz QEXZBRIMFJWCSP-TZMCWYRMSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@H]2CC[NH2+][C@@H]2C)cc1 ZINC000516634154 388484741 /nfs/dbraw/zinc/48/47/41/388484741.db2.gz AFMQNFCVTGOVPP-CWSCBRNRSA-N 2 0 247.342 1.643 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000310522822 388484892 /nfs/dbraw/zinc/48/48/92/388484892.db2.gz MJWAAWVDCHWBON-HZSPNIEDSA-N 2 0 242.407 1.892 20 0 BDADRP C[C@H](CCO)CC[NH2+][C@@H](C)CCCC[NH3+] ZINC000397722129 388494954 /nfs/dbraw/zinc/49/49/54/388494954.db2.gz KRAQKKGYKYNKFM-RYUDHWBXSA-N 2 0 216.369 1.502 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCC1([NH+](C)C)CC1 ZINC000397802285 388499942 /nfs/dbraw/zinc/49/99/42/388499942.db2.gz CWPXIRJMHNUOLI-UPJWGTAASA-N 2 0 239.407 1.399 20 0 BDADRP C[NH+](C)C1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000397903894 388510527 /nfs/dbraw/zinc/51/05/27/388510527.db2.gz WEKMFCLXONTNLH-QWHCGFSZSA-N 2 0 237.391 1.297 20 0 BDADRP C[NH+](C)C1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000397903889 388510949 /nfs/dbraw/zinc/51/09/49/388510949.db2.gz WEKMFCLXONTNLH-CHWSQXEVSA-N 2 0 237.391 1.297 20 0 BDADRP C[C@@H](Cn1ccnc1)[NH2+][C@@H]1CCn2ccnc21 ZINC000345354929 388513719 /nfs/dbraw/zinc/51/37/19/388513719.db2.gz SOMOMKNGMAUFQG-WDEREUQCSA-N 2 0 231.303 1.203 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CSC[C@@H]1C ZINC000398012112 388514587 /nfs/dbraw/zinc/51/45/87/388514587.db2.gz ZBEBQTXSNVTIPP-IVZWLZJFSA-N 2 0 202.367 1.455 20 0 BDADRP CC(C)C[C@@H](C)C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000348051408 388526059 /nfs/dbraw/zinc/52/60/59/388526059.db2.gz ZZVBPWCHKXJPBQ-CYBMUJFWSA-N 2 0 242.407 1.715 20 0 BDADRP CCC[NH+]1CCC(C[NH2+][C@H](C)[C@@H](C)O)CC1 ZINC000517125695 388535035 /nfs/dbraw/zinc/53/50/35/388535035.db2.gz AJLWYTZLEXNAKW-VXGBXAGGSA-N 2 0 228.380 1.467 20 0 BDADRP CC[C@@](C)(CCO)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000220390211 388604445 /nfs/dbraw/zinc/60/44/45/388604445.db2.gz LAHGVJFWPFSMAO-NEPJUHHUSA-N 2 0 214.353 1.127 20 0 BDADRP CC(C)[C@@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000186567242 256865019 /nfs/dbraw/zinc/86/50/19/256865019.db2.gz QPEYPEOENIWRIF-ZIAGYGMSSA-N 2 0 241.423 1.647 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000548885427 388567961 /nfs/dbraw/zinc/56/79/61/388567961.db2.gz YFSNOUJMZSWSOG-MJBXVCDLSA-N 2 0 240.391 1.733 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOC)[C@@H](C)C1 ZINC000245422673 388578093 /nfs/dbraw/zinc/57/80/93/388578093.db2.gz JAWICQBOHYXGHG-NWDGAFQWSA-N 2 0 214.353 1.295 20 0 BDADRP [NH3+]CCC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000037017245 388580070 /nfs/dbraw/zinc/58/00/70/388580070.db2.gz AJPFLRVSPQJKNZ-UHFFFAOYSA-N 2 0 247.342 1.570 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCCCO2)C1 ZINC000245452659 388580164 /nfs/dbraw/zinc/58/01/64/388580164.db2.gz QONSYUWEQSGOGJ-UONOGXRCSA-N 2 0 240.391 1.829 20 0 BDADRP Cn1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000085591140 388670316 /nfs/dbraw/zinc/67/03/16/388670316.db2.gz UOJCBXMWNKUPFS-LBPRGKRZSA-N 2 0 221.348 1.457 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@](C)(O)CC)[C@H](C)C1 ZINC000248166092 388674068 /nfs/dbraw/zinc/67/40/68/388674068.db2.gz TUAWICSCQYWHFH-AGIUHOORSA-N 2 0 228.380 1.467 20 0 BDADRP CCc1ccc(CN[C@@H]2CC[NH2+]C2)s1 ZINC000225168790 388676546 /nfs/dbraw/zinc/67/65/46/388676546.db2.gz IPQXXOGDFFBCHD-SECBINFHSA-N 2 0 210.346 1.762 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](C)OC)[C@@H](C)C1 ZINC000248416166 388679315 /nfs/dbraw/zinc/67/93/15/388679315.db2.gz IOFRTIOQOZPPFE-XQQFMLRXSA-N 2 0 228.380 1.683 20 0 BDADRP COC1CCC([NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000530176842 388622196 /nfs/dbraw/zinc/62/21/96/388622196.db2.gz DCTWFGLGMJLHDU-BPCQOVAHSA-N 2 0 238.375 1.818 20 0 BDADRP C[C@H]1C[C@@H](NC[C@@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000154518474 388626258 /nfs/dbraw/zinc/62/62/58/388626258.db2.gz AJSCCWPJWGCKSV-AVGNSLFASA-N 2 0 225.380 1.153 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CCCOC1 ZINC000530210987 388627459 /nfs/dbraw/zinc/62/74/59/388627459.db2.gz KVQXBOZTANSRAC-QJPTWQEYSA-N 2 0 212.337 1.273 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CCCOC1)[C@@H]1CCC[NH2+]1 ZINC000530214244 388629057 /nfs/dbraw/zinc/62/90/57/388629057.db2.gz VZTFQYPCAKDARV-AVGNSLFASA-N 2 0 226.364 1.533 20 0 BDADRP COC[C@H](C)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000521858259 388634809 /nfs/dbraw/zinc/63/48/09/388634809.db2.gz VKQRUWJZZXUQJN-LLVKDONJSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H](C[NH2+]CC1CC[NH2+]CC1)c1ccncc1 ZINC000530245708 388638760 /nfs/dbraw/zinc/63/87/60/388638760.db2.gz ZWKYYGWEDYWCCG-LBPRGKRZSA-N 2 0 233.359 1.774 20 0 BDADRP CC(C)C[C@H](CO)[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000222603919 388640824 /nfs/dbraw/zinc/64/08/24/388640824.db2.gz SFIOXRLCQXVQNE-RWMBFGLXSA-N 2 0 228.380 1.466 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(C2CC2)C1 ZINC000251289299 388642707 /nfs/dbraw/zinc/64/27/07/388642707.db2.gz NMLNSYMOHIXTPH-OBJOEFQTSA-N 2 0 237.391 1.330 20 0 BDADRP CC[N@H+](CCN[C@H]1CC[NH+](C)[C@@H](C)C1)C1CC1 ZINC000223057378 388648851 /nfs/dbraw/zinc/64/88/51/388648851.db2.gz YVOLLRASIUISTF-STQMWFEESA-N 2 0 239.407 1.543 20 0 BDADRP CSCCC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000223737161 388656759 /nfs/dbraw/zinc/65/67/59/388656759.db2.gz BRSSLEOLPLRENC-WDEREUQCSA-N 2 0 216.394 1.669 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCF)[C@@H](C)C1 ZINC000247027442 388657626 /nfs/dbraw/zinc/65/76/26/388657626.db2.gz QNZUJADVSUATHW-WDEREUQCSA-N 2 0 202.317 1.666 20 0 BDADRP CCOCCCC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247247756 388661234 /nfs/dbraw/zinc/66/12/34/388661234.db2.gz ZJGJTPSZNOQPEQ-STQMWFEESA-N 2 0 228.380 1.875 20 0 BDADRP COC[C@@H](C)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247468593 388663939 /nfs/dbraw/zinc/66/39/39/388663939.db2.gz JAODHPZISLFHQD-CHWSQXEVSA-N 2 0 228.380 1.828 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCS1 ZINC000251271763 388746458 /nfs/dbraw/zinc/74/64/58/388746458.db2.gz LYHXPYPYOBLPQZ-QJPTWQEYSA-N 2 0 228.405 1.989 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+]CC2=CCCOC2)C1 ZINC000126739600 388700256 /nfs/dbraw/zinc/70/02/56/388700256.db2.gz YHPIPTBYEPDXIH-CYBMUJFWSA-N 2 0 238.375 1.655 20 0 BDADRP Cc1noc(C)c1C[NH2+]C[C@@H](C)Cn1ccnc1 ZINC000195251107 388702435 /nfs/dbraw/zinc/70/24/35/388702435.db2.gz CEVXXEVRKVJJQN-SNVBAGLBSA-N 2 0 248.330 1.914 20 0 BDADRP CC(C)N1CCC([NH2+]CCC[S@](C)=O)CC1 ZINC000127110728 388715294 /nfs/dbraw/zinc/71/52/94/388715294.db2.gz MQURGVLZSHZOAX-MRXNPFEDSA-N 2 0 246.420 1.217 20 0 BDADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@](C)(O)CC)C1 ZINC000249428411 388722061 /nfs/dbraw/zinc/72/20/61/388722061.db2.gz YOLRWPQHFYBJCG-KBPBESRZSA-N 2 0 242.407 1.811 20 0 BDADRP CC[N@H+](CCOC)CC[C@H]1CCCC[NH+]1C ZINC000553938701 388795020 /nfs/dbraw/zinc/79/50/20/388795020.db2.gz LHCHOJCOVFPHOH-CYBMUJFWSA-N 2 0 228.380 1.829 20 0 BDADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000229935973 388805069 /nfs/dbraw/zinc/80/50/69/388805069.db2.gz RRGDXJZHSPBHLQ-UONOGXRCSA-N 3 0 239.407 1.578 20 0 BDADRP Cc1c[nH+]ccc1N1C[C@H](C[NH3+])C[C@H]1C ZINC000228081277 388769602 /nfs/dbraw/zinc/76/96/02/388769602.db2.gz KQUMDVSKJHPHPU-MNOVXSKESA-N 2 0 205.305 1.564 20 0 BDADRP CSCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252674015 388769968 /nfs/dbraw/zinc/76/99/68/388769968.db2.gz NSCSCYWATGKUSD-NEPJUHHUSA-N 2 0 228.405 1.956 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000252715543 388775138 /nfs/dbraw/zinc/77/51/38/388775138.db2.gz VYMZKDPGZQTBDJ-WOPDTQHZSA-N 2 0 214.353 1.077 20 0 BDADRP C[N@H+](C[C@H]1CCCO1)C[C@H]1CCC[NH2+]C1 ZINC000250451903 388790949 /nfs/dbraw/zinc/79/09/49/388790949.db2.gz VSSMFRZEVFEYCB-NWDGAFQWSA-N 2 0 212.337 1.097 20 0 BDADRP COCCOCCC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000129841681 388871929 /nfs/dbraw/zinc/87/19/29/388871929.db2.gz NLZAAYBVEINAEZ-STQMWFEESA-N 2 0 244.379 1.112 20 0 BDADRP CCC[N@H+](CCC[NH+](C)C)C[C@@H](C)COC ZINC000564686342 388884477 /nfs/dbraw/zinc/88/44/77/388884477.db2.gz BFVPGFDYOMRXRU-CYBMUJFWSA-N 2 0 230.396 1.933 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]C[C@H]2CCC[NH2+]C2)C1 ZINC000564971284 388903601 /nfs/dbraw/zinc/90/36/01/388903601.db2.gz UMWGVPBIDYGDCH-RWMBFGLXSA-N 3 0 225.380 1.093 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](OC(F)F)C2)CC[NH2+]1 ZINC000565351345 388938335 /nfs/dbraw/zinc/93/83/35/388938335.db2.gz JYRXRUPYRDAEKG-MXWKQRLJSA-N 2 0 248.317 1.688 20 0 BDADRP CC(C)[NH2+]CCC[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000566088196 388986513 /nfs/dbraw/zinc/98/65/13/388986513.db2.gz BXSGZLRJYNETCZ-SDDRHHMPSA-N 2 0 214.353 1.530 20 0 BDADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cccnc1 ZINC000271890246 389024802 /nfs/dbraw/zinc/02/48/02/389024802.db2.gz RSUVGQHFFMNAGA-LBPRGKRZSA-N 2 0 231.343 1.994 20 0 BDADRP C[N@H+]1CC=C(C[NH2+]Cc2cc[nH]c2)CC1 ZINC000271815746 389025964 /nfs/dbraw/zinc/02/59/64/389025964.db2.gz LWHLTHLVSMRULA-UHFFFAOYSA-N 2 0 205.305 1.366 20 0 BDADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccccn1 ZINC000271834796 389027239 /nfs/dbraw/zinc/02/72/39/389027239.db2.gz FOMAMTWBXMAPLD-GFCCVEGCSA-N 2 0 231.343 1.994 20 0 BDADRP C[C@H](CC[NH+](C)C)N[C@H](C)c1cn[nH]c1 ZINC000274423378 389047481 /nfs/dbraw/zinc/04/74/81/389047481.db2.gz LWRMCQVZTNEZSZ-NXEZZACHSA-N 2 0 210.325 1.401 20 0 BDADRP C[N@H+](CCCC[NH2+][C@H]1CCCOC1)C1CC1 ZINC000453397371 487528524 /nfs/dbraw/zinc/52/85/24/487528524.db2.gz JHHPMBVJUZDZQW-LBPRGKRZSA-N 2 0 226.364 1.629 20 0 BDADRP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H]1CCC[NH2+]1 ZINC000400424163 533341393 /nfs/dbraw/zinc/34/13/93/533341393.db2.gz XVIDECCDWRZQPC-RKFYDKJMSA-N 2 0 237.391 1.342 20 0 BDADRP C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)[C@H]1CCOC1 ZINC000261997216 533363894 /nfs/dbraw/zinc/36/38/94/533363894.db2.gz KYECFSVHPLATGM-QWHCGFSZSA-N 2 0 224.348 1.098 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@H]1CCC[NH2+]1 ZINC000400698867 533368215 /nfs/dbraw/zinc/36/82/15/533368215.db2.gz JPXXKUWCIOKZKV-DGCLKSJQSA-N 3 0 225.380 1.058 20 0 BDADRP C([C@H]1CCOC1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257679182 533377411 /nfs/dbraw/zinc/37/74/11/533377411.db2.gz KPOUPBNYBNNJLX-GFCCVEGCSA-N 2 0 224.348 1.098 20 0 BDADRP CC[N@@H+]1CCN(c2cc[nH+]c(C)c2)[C@@H](C)C1 ZINC000286225003 132214499 /nfs/dbraw/zinc/21/44/99/132214499.db2.gz DFJDIWYJASTTEU-LBPRGKRZSA-N 2 0 219.332 1.920 20 0 BDADRP Cc1c[nH+]ccc1N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229094549 132442021 /nfs/dbraw/zinc/44/20/21/132442021.db2.gz WBLKBINMYCWUIK-PWSUYJOCSA-N 2 0 219.332 1.811 20 0 BDADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@@H]1CCCC[NH2+]1 ZINC000334652351 133725439 /nfs/dbraw/zinc/72/54/39/133725439.db2.gz ITPDWTYHDNBKJY-ZDUSSCGKSA-N 2 0 245.326 1.370 20 0 BDADRP CCOC(C)(C)C[NH2+]C1CC[NH+](CC)CC1 ZINC000166946715 133964710 /nfs/dbraw/zinc/96/47/10/133964710.db2.gz XJTCCYKTEMKUJE-UHFFFAOYSA-N 2 0 228.380 1.875 20 0 BDADRP C[C@@H]1[C@H](C)NCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000336079458 134074070 /nfs/dbraw/zinc/07/40/70/134074070.db2.gz KNKFFXWEJKGFQW-NWDGAFQWSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(C)(C)[NH3+])cc1 ZINC000336092121 134078863 /nfs/dbraw/zinc/07/88/63/134078863.db2.gz PHTFEODQNYVOEQ-MRVPVSSYSA-N 2 0 221.304 1.382 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+](CC[C@@H]3CCOC3)C2)C1 ZINC000336113249 134087063 /nfs/dbraw/zinc/08/70/63/134087063.db2.gz RQPLJCMOAGIEQV-ZIAGYGMSSA-N 2 0 238.375 1.441 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH+]1C)[C@H]1CCCOC1 ZINC000352219653 134108745 /nfs/dbraw/zinc/10/87/45/134108745.db2.gz DYPNYUYURQFXKW-STQMWFEESA-N 2 0 226.364 1.582 20 0 BDADRP C[C@@H]1C[N@H+](C)CCN1CC[C@@H]1CCC[NH+]1C ZINC000336214850 134136001 /nfs/dbraw/zinc/13/60/01/134136001.db2.gz BKSPVNSYWITXMP-OLZOCXBDSA-N 2 0 225.380 1.107 20 0 BDADRP C[C@H](CN[C@H]1CCC[NH2+]CC1)[N@H+](C)C1CC1 ZINC000217536635 134248118 /nfs/dbraw/zinc/24/81/18/134248118.db2.gz YUYHNMXRYUNXOX-NEPJUHHUSA-N 2 0 225.380 1.201 20 0 BDADRP CCC[N@H+](CC)CCNCc1cncn1CC ZINC000217644735 134249414 /nfs/dbraw/zinc/24/94/14/134249414.db2.gz ZVMJGUBSVRXHNB-UHFFFAOYSA-N 2 0 238.379 1.725 20 0 BDADRP C[C@H](c1ccc(Cl)cc1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000217807344 134250368 /nfs/dbraw/zinc/25/03/68/134250368.db2.gz AUGOLHCDEJQADW-SKDRFNHKSA-N 2 0 242.750 1.652 20 0 BDADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1cncs1 ZINC000219320990 134281276 /nfs/dbraw/zinc/28/12/76/134281276.db2.gz WWCNNLUWTOQSRA-JTQLQIEISA-N 2 0 243.376 1.372 20 0 BDADRP CC[C@H](CO)[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000219377556 134281556 /nfs/dbraw/zinc/28/15/56/134281556.db2.gz QTRHBJHFRCLFQJ-JHJVBQTASA-N 2 0 228.380 1.658 20 0 BDADRP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCSC ZINC000175594427 134287885 /nfs/dbraw/zinc/28/78/85/134287885.db2.gz QCCKHGXHEMPMBO-NEPJUHHUSA-N 2 0 228.405 1.908 20 0 BDADRP CC(C)[N@H+](C[C@H](C)O)C[C@@H]1CCC[NH2+]C1 ZINC000220372018 134306173 /nfs/dbraw/zinc/30/61/73/134306173.db2.gz ZEILZACDJMXSQA-NWDGAFQWSA-N 2 0 214.353 1.077 20 0 BDADRP C[N@H+](CC1CC[NH2+]CC1)C[C@@H]1CCC[NH+](C)C1 ZINC000178978996 134313944 /nfs/dbraw/zinc/31/39/44/134313944.db2.gz YFNWNZFSYKCREE-CQSZACIVSA-N 3 0 239.407 1.260 20 0 BDADRP COC1CC([NH2+][C@H](C)CC[NH+](C)C)C1 ZINC000220904332 134315276 /nfs/dbraw/zinc/31/52/76/134315276.db2.gz RMFLWEJWWFMQDV-KPPDAEKUSA-N 2 0 200.326 1.094 20 0 BDADRP COC1CC([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000220839281 134316164 /nfs/dbraw/zinc/31/61/64/134316164.db2.gz VJFBMXAZNVOTEJ-XSRFYTQQSA-N 2 0 224.348 1.238 20 0 BDADRP CC(C)[N@H+](CCO)CC[C@@H]1CCC[NH+]1C ZINC000179308636 134320287 /nfs/dbraw/zinc/32/02/87/134320287.db2.gz YEODWFGIHNHRNY-LBPRGKRZSA-N 2 0 214.353 1.173 20 0 BDADRP C[C@@H]1CN(CC[C@H]2CCC[N@@H+]2C)C[C@H](C)O1 ZINC000180331990 134328758 /nfs/dbraw/zinc/32/87/58/134328758.db2.gz GNZYLJKPDBXNRA-FRRDWIJNSA-N 2 0 226.364 1.580 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(O)CCC2)[C@@H](C)C1 ZINC000223404195 134339452 /nfs/dbraw/zinc/33/94/52/134339452.db2.gz LGAAQKHEHAOQOK-NWDGAFQWSA-N 2 0 226.364 1.221 20 0 BDADRP C[NH+]1CCC(C[NH2+]C[C@H]2CCSC2)CC1 ZINC000224405733 134346702 /nfs/dbraw/zinc/34/67/02/134346702.db2.gz FPNOZQGFPUNYNA-GFCCVEGCSA-N 2 0 228.405 1.671 20 0 BDADRP OCCC[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000226841675 134370000 /nfs/dbraw/zinc/37/00/00/134370000.db2.gz SDNGISNTJHIRKN-OLZOCXBDSA-N 2 0 226.364 1.223 20 0 BDADRP CC1(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)COC1 ZINC000227518397 134382349 /nfs/dbraw/zinc/38/23/49/134382349.db2.gz DEEMVADAPWFUPM-UHFFFAOYSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H](C[NH+](C)C)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000227601695 134387623 /nfs/dbraw/zinc/38/76/23/134387623.db2.gz MTROGMRTUGCPBV-GRYCIOLGSA-N 2 0 213.369 1.009 20 0 BDADRP Cc1ccc(OCC[N@H+](C)CCC[NH3+])cc1 ZINC000133201251 134677200 /nfs/dbraw/zinc/67/72/00/134677200.db2.gz QYDRNKBMOZUYDW-UHFFFAOYSA-N 2 0 222.332 1.654 20 0 BDADRP C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000070831788 135013911 /nfs/dbraw/zinc/01/39/11/135013911.db2.gz XTFVKYMDULVXIH-AGIUHOORSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@H]2CCC[NH+]2C)[C@H]1CO ZINC000248917556 135025869 /nfs/dbraw/zinc/02/58/69/135025869.db2.gz KCNOYJUZTFCMEO-UPJWGTAASA-N 2 0 226.364 1.173 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCCO1 ZINC000249297391 135042527 /nfs/dbraw/zinc/04/25/27/135042527.db2.gz DMPKCBRDQSIQEM-LPWJVIDDSA-N 2 0 226.364 1.484 20 0 BDADRP CC[N@H+](C)CCN[C@@H]1C[C@@H](C)[NH+](C)C[C@H]1C ZINC000249758560 135044767 /nfs/dbraw/zinc/04/47/67/135044767.db2.gz VPIWQBAQYPIIRB-JHJVBQTASA-N 2 0 227.396 1.256 20 0 BDADRP COCCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250442167 135055073 /nfs/dbraw/zinc/05/50/73/135055073.db2.gz BCBUIKCBMWKLRF-STQMWFEESA-N 2 0 226.364 1.629 20 0 BDADRP O[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000251214565 135065693 /nfs/dbraw/zinc/06/56/93/135065693.db2.gz LQGUNSNPUSZUJB-RFQIPJPRSA-N 2 0 238.375 1.506 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCO[C@H](C)C1 ZINC000251768583 135076944 /nfs/dbraw/zinc/07/69/44/135076944.db2.gz DXXHYVHQPTZEQI-UTUOFQBUSA-N 2 0 214.353 1.484 20 0 BDADRP C[C@H]1CCCC[C@H]1[N@H+](C)CCOCC[NH3+] ZINC000086435555 135084374 /nfs/dbraw/zinc/08/43/74/135084374.db2.gz CXAAFDIWBKRQLY-NWDGAFQWSA-N 2 0 214.353 1.472 20 0 BDADRP C[N@H+](CCOCC[NH3+])Cc1ccc(Cl)s1 ZINC000086435495 135084782 /nfs/dbraw/zinc/08/47/82/135084782.db2.gz BUKLUSGVNZUXKN-UHFFFAOYSA-N 2 0 248.779 1.809 20 0 BDADRP C[C@@H]1CCC[N@H+](CCOCC[NH3+])CC1 ZINC000086435777 135084893 /nfs/dbraw/zinc/08/48/93/135084893.db2.gz PNXIIQRVSKHWQL-LLVKDONJSA-N 2 0 200.326 1.084 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]C[C@@H]1CCCCO1 ZINC000086495946 135087151 /nfs/dbraw/zinc/08/71/51/135087151.db2.gz VUCBFOFLXBMSIT-UPJWGTAASA-N 2 0 226.364 1.676 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCOC1 ZINC000252450136 135089360 /nfs/dbraw/zinc/08/93/60/135089360.db2.gz DLVHGFPLVJLPRA-FDYHWXHSSA-N 2 0 226.364 1.341 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCO[C@H]1C ZINC000252691760 135094020 /nfs/dbraw/zinc/09/40/20/135094020.db2.gz YYTOYVZTUAUONB-OUAUKWLOSA-N 2 0 200.326 1.094 20 0 BDADRP C[C@@H]1OCC[C@H]1[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000252682972 135095779 /nfs/dbraw/zinc/09/57/79/135095779.db2.gz CZVKNPDUXLJVBD-DMDPSCGWSA-N 2 0 224.348 1.238 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000252691602 135097231 /nfs/dbraw/zinc/09/72/31/135097231.db2.gz YMSOLVLADSQKEY-RVMXOQNASA-N 2 0 224.348 1.380 20 0 BDADRP CCSCC[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000252688092 135097550 /nfs/dbraw/zinc/09/75/50/135097550.db2.gz NEFYHUHYLDXJSM-WDEREUQCSA-N 2 0 216.394 1.799 20 0 BDADRP COC(C)(C)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252703250 135098059 /nfs/dbraw/zinc/09/80/59/135098059.db2.gz MDUIJXTUAGIJLC-RYUDHWBXSA-N 2 0 226.364 1.628 20 0 BDADRP CC(C)[C@H](O)CC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252710921 135099433 /nfs/dbraw/zinc/09/94/33/135099433.db2.gz IAEXQGAHTXVWEK-JHJVBQTASA-N 2 0 228.380 1.323 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1NCC[NH+]1CCCC1 ZINC000252712748 135100922 /nfs/dbraw/zinc/10/09/22/135100922.db2.gz NGNASSOGARBSRM-QWHCGFSZSA-N 2 0 225.380 1.012 20 0 BDADRP Cc1ncsc1CC[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000086886228 135101014 /nfs/dbraw/zinc/10/10/14/135101014.db2.gz BLRJUSNEZJTSAU-MWLCHTKSSA-N 2 0 239.388 1.663 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1ccncc1 ZINC000252715219 135101212 /nfs/dbraw/zinc/10/12/12/135101212.db2.gz UYMHCBOVIRGFFN-TZMCWYRMSA-N 2 0 233.359 1.554 20 0 BDADRP C[C@@]1(C[N@H+](C[C@@H]2CCOC2)C2CC2)CC[NH2+]C1 ZINC000261871911 135112052 /nfs/dbraw/zinc/11/20/52/135112052.db2.gz OZWXSKINKUUBCX-GXTWGEPZSA-N 2 0 238.375 1.487 20 0 BDADRP CCC[C@H](O)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000253020460 135119411 /nfs/dbraw/zinc/11/94/11/135119411.db2.gz JSWWDOPBEFBJRN-IGQOVBAYSA-N 2 0 240.391 1.658 20 0 BDADRP CC(C)OCC[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253266728 135125605 /nfs/dbraw/zinc/12/56/05/135125605.db2.gz XVGASSZFNNERDX-VXGBXAGGSA-N 2 0 214.353 1.328 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)O1 ZINC000253312524 135126174 /nfs/dbraw/zinc/12/61/74/135126174.db2.gz WABYMKJPPKYLSU-FDYHWXHSSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)O1 ZINC000253312526 135126236 /nfs/dbraw/zinc/12/62/36/135126236.db2.gz WABYMKJPPKYLSU-LPWJVIDDSA-N 2 0 226.364 1.484 20 0 BDADRP c1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)no1 ZINC000257664996 135138422 /nfs/dbraw/zinc/13/84/22/135138422.db2.gz HCIYNQYBNNMXAJ-UHFFFAOYSA-N 2 0 221.304 1.250 20 0 BDADRP C[NH2+]CCCN(C)[C@H](C)c1ccccn1 ZINC000087472384 135143101 /nfs/dbraw/zinc/14/31/01/135143101.db2.gz UQZACCIBFOJNPV-LLVKDONJSA-N 2 0 207.321 1.684 20 0 BDADRP COC[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)C(C)C ZINC000087479626 135144899 /nfs/dbraw/zinc/14/48/99/135144899.db2.gz JJAJMWXEWGJUEK-NWDGAFQWSA-N 2 0 216.369 1.587 20 0 BDADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccs1 ZINC000261527838 135152743 /nfs/dbraw/zinc/15/27/43/135152743.db2.gz HRLUWJNPEXKJJB-ONGXEEELSA-N 2 0 210.346 1.836 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCCSC1 ZINC000261529458 135155626 /nfs/dbraw/zinc/15/56/26/135155626.db2.gz SGJATRYICFSJCS-VWYCJHECSA-N 2 0 214.378 1.470 20 0 BDADRP Cc1ccncc1CN1CC[C@H]([NH3+])[C@@H]1C ZINC000261530653 135158024 /nfs/dbraw/zinc/15/80/24/135158024.db2.gz CZAOCFOYRKRCPG-JQWIXIFHSA-N 2 0 205.305 1.312 20 0 BDADRP CC(C)(C)CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261531447 135160337 /nfs/dbraw/zinc/16/03/37/135160337.db2.gz GODWNTBNSCIRMF-RYUDHWBXSA-N 2 0 210.365 1.964 20 0 BDADRP CO[C@@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000261532094 135161611 /nfs/dbraw/zinc/16/16/11/135161611.db2.gz JBXNIGCPVRZBTO-VXGBXAGGSA-N 2 0 212.337 1.097 20 0 BDADRP Cc1[nH+]ccc(N2CCC[NH2+]CC2)c1Cl ZINC000261531897 135161967 /nfs/dbraw/zinc/16/19/67/135161967.db2.gz IHSBZXTZBRQBQW-UHFFFAOYSA-N 2 0 225.723 1.843 20 0 BDADRP C(C1CCCC1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261532163 135162418 /nfs/dbraw/zinc/16/24/18/135162418.db2.gz JLSYJFHIBGTAGB-CHWSQXEVSA-N 2 0 208.349 1.718 20 0 BDADRP Cc1nc(C)c(CN2C[C@H](C)[C@H]([NH3+])C2)s1 ZINC000261532251 135162972 /nfs/dbraw/zinc/16/29/72/135162972.db2.gz JTJXKTUNCMQXMW-OIBJUYFYSA-N 2 0 225.361 1.539 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@H]3CCSC3)C[C@@H]21 ZINC000261533915 135165758 /nfs/dbraw/zinc/16/57/58/135165758.db2.gz LFABFNHBEBXYNW-FVCCEPFGSA-N 2 0 240.416 1.799 20 0 BDADRP CC(C)COCC[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000261533901 135165972 /nfs/dbraw/zinc/16/59/72/135165972.db2.gz KYZHLJMLJQLVOZ-QWHCGFSZSA-N 2 0 228.380 1.718 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2C[NH3+])C1(C)C ZINC000261533894 135166007 /nfs/dbraw/zinc/16/60/07/135166007.db2.gz KXZGWWQGVJBKRS-FIQHERPVSA-N 2 0 226.364 1.517 20 0 BDADRP COC[C@@H]1CC[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000261534469 135166797 /nfs/dbraw/zinc/16/67/97/135166797.db2.gz QWEVFCQQAKOYHE-FRRDWIJNSA-N 2 0 226.364 1.343 20 0 BDADRP CC[C@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)CCCO1 ZINC000261534523 135167803 /nfs/dbraw/zinc/16/78/03/135167803.db2.gz RRCUGPKUYSISFA-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCSC1 ZINC000261535535 135169801 /nfs/dbraw/zinc/16/98/01/135169801.db2.gz OMAXGHYIUQOOGE-WDEREUQCSA-N 2 0 228.405 1.717 20 0 BDADRP Cc1[nH+]ccc(N2CC[C@H](C[NH3+])C2)c1Cl ZINC000261538752 135177503 /nfs/dbraw/zinc/17/75/03/135177503.db2.gz ZEQBMDLBQCFRHX-SECBINFHSA-N 2 0 225.723 1.828 20 0 BDADRP CCOC(=O)C[C@@H](C)[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261539615 135177761 /nfs/dbraw/zinc/17/77/61/135177761.db2.gz AMVGFWVXKXOWTB-NEPJUHHUSA-N 2 0 242.363 1.260 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)CCCO1 ZINC000261540742 135179843 /nfs/dbraw/zinc/17/98/43/135179843.db2.gz HQCVBHMGKNJZDQ-BFHYXJOUSA-N 2 0 240.391 1.875 20 0 BDADRP c1ccc(CC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261542156 135182796 /nfs/dbraw/zinc/18/27/96/135182796.db2.gz BWNDORPPFRHSFD-GJZGRUSLSA-N 2 0 230.355 1.770 20 0 BDADRP C[C@@H](NCC[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261543717 135184426 /nfs/dbraw/zinc/18/44/26/135184426.db2.gz HZMMPLXADWNISX-HIFRSBDPSA-N 2 0 247.386 1.445 20 0 BDADRP C[C@H](c1ccccn1)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261544352 135185245 /nfs/dbraw/zinc/18/52/45/135185245.db2.gz DTTFGHRVXBJJHE-MROQNXINSA-N 2 0 231.343 1.812 20 0 BDADRP Cc1nc(C)c(C[N@@H+]2CCC[C@@H](C[NH3+])C2)s1 ZINC000084149023 135187436 /nfs/dbraw/zinc/18/74/36/135187436.db2.gz DCKOHSYNLWPTMU-NSHDSACASA-N 2 0 239.388 1.931 20 0 BDADRP CCn1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cn1 ZINC000261550999 135190145 /nfs/dbraw/zinc/19/01/45/135190145.db2.gz LSHQQAOYGRXRNI-YNEHKIRRSA-N 2 0 234.347 1.072 20 0 BDADRP COC[C@@]1(CNc2cc[nH+]c(C)c2)CCC[NH2+]1 ZINC000261552226 135191497 /nfs/dbraw/zinc/19/14/97/135191497.db2.gz MRRCOOGQTGVQGX-ZDUSSCGKSA-N 2 0 235.331 1.571 20 0 BDADRP C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)[C@H]1CCCO1 ZINC000261552545 135191531 /nfs/dbraw/zinc/19/15/31/135191531.db2.gz NABBRUZADHGUPV-CYBMUJFWSA-N 2 0 238.375 1.631 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000084216309 135192050 /nfs/dbraw/zinc/19/20/50/135192050.db2.gz OODNOXPNNFINRG-RWMBFGLXSA-N 2 0 226.364 1.520 20 0 BDADRP C[C@H]1CCSCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261557879 135198668 /nfs/dbraw/zinc/19/86/68/135198668.db2.gz XTXLFYRUZHDCGQ-NWDGAFQWSA-N 2 0 228.405 1.813 20 0 BDADRP Cc1cnn(CC[NH2+][C@H]2CC[NH2+]CC2(C)C)c1 ZINC000261559278 135200554 /nfs/dbraw/zinc/20/05/54/135200554.db2.gz TUCFIESTVSKWLT-LBPRGKRZSA-N 2 0 236.363 1.169 20 0 BDADRP Cc1nc(C)c(C[NH2+]C[C@@]2(C)CC[NH2+]C2)s1 ZINC000261561486 135202986 /nfs/dbraw/zinc/20/29/86/135202986.db2.gz APDDIXBIPPVLLW-LBPRGKRZSA-N 2 0 239.388 1.849 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC[C@@H]3CCCO3)C[C@H]12 ZINC000261562391 135203680 /nfs/dbraw/zinc/20/36/80/135203680.db2.gz BGPCIAHBKMXUNO-MROQNXINSA-N 2 0 224.348 1.225 20 0 BDADRP C([C@H]1CCC[NH2+]C1)[N@@H+]1CCC2(C1)CCOCC2 ZINC000261562013 135203807 /nfs/dbraw/zinc/20/38/07/135203807.db2.gz VXOBSVIHGCDIPA-ZDUSSCGKSA-N 2 0 238.375 1.489 20 0 BDADRP Cc1nc(C)c(C[NH2+]CC[C@H]2CC[NH2+]C2)s1 ZINC000261578183 135218997 /nfs/dbraw/zinc/21/89/97/135218997.db2.gz LNOOFFWNRAYEBW-LLVKDONJSA-N 2 0 239.388 1.849 20 0 BDADRP Cc1c[nH+]ccc1N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261578644 135219565 /nfs/dbraw/zinc/21/95/65/135219565.db2.gz LWRFDOADPFZJJK-RYUDHWBXSA-N 2 0 217.316 1.436 20 0 BDADRP CC(C)[C@@H]1CCCC[N@@H+]1CCOCC[NH3+] ZINC000261582488 135223383 /nfs/dbraw/zinc/22/33/83/135223383.db2.gz OJLAMPWZEBMRHP-LBPRGKRZSA-N 2 0 214.353 1.472 20 0 BDADRP Cc1ncc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)s1 ZINC000261585501 135226750 /nfs/dbraw/zinc/22/67/50/135226750.db2.gz QMOCIELQQQDHRM-MVWJERBFSA-N 2 0 237.372 1.621 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000261587640 135228198 /nfs/dbraw/zinc/22/81/98/135228198.db2.gz RWLZTKUCEFFHQC-RVMXOQNASA-N 2 0 226.364 1.255 20 0 BDADRP CC(C)([NH3+])C[NH2+][C@H]1CCc2ccccc2C1 ZINC000261587653 135228400 /nfs/dbraw/zinc/22/84/00/135228400.db2.gz RXOHAPUIKWALKT-ZDUSSCGKSA-N 2 0 218.344 1.871 20 0 BDADRP Cc1c[nH+]ccc1N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261592041 135232692 /nfs/dbraw/zinc/23/26/92/135232692.db2.gz VRUPRVYQHHVPEI-CYBMUJFWSA-N 2 0 217.316 1.580 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCC1CCOCC1 ZINC000261592025 135232986 /nfs/dbraw/zinc/23/29/86/135232986.db2.gz VRJOJFSEFVCFKC-QWHCGFSZSA-N 2 0 226.364 1.520 20 0 BDADRP Cc1ccc(CN2CC[C@@](C)(C[NH3+])C2)cn1 ZINC000261598479 135236641 /nfs/dbraw/zinc/23/66/41/135236641.db2.gz ZOKMKFOLEPWWHH-ZDUSSCGKSA-N 2 0 219.332 1.561 20 0 BDADRP Cc1nccn1CC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000261547811 135241178 /nfs/dbraw/zinc/24/11/78/135241178.db2.gz IOYNKAGDZPKHKC-OLZOCXBDSA-N 2 0 236.363 1.299 20 0 BDADRP C[C@@H]1CSCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000084386030 135244680 /nfs/dbraw/zinc/24/46/80/135244680.db2.gz JJIOIRDRJFWAGN-MNOVXSKESA-N 2 0 214.378 1.423 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cccc(N)c2)C1 ZINC000261710727 135247262 /nfs/dbraw/zinc/24/72/62/135247262.db2.gz PMMUIMISVRYBDY-DGCLKSJQSA-N 2 0 233.359 1.828 20 0 BDADRP Cc1cc(C[NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)on1 ZINC000261728672 135248213 /nfs/dbraw/zinc/24/82/13/135248213.db2.gz ODOKIPLFGAXXRU-GXSJLCMTSA-N 2 0 223.320 1.461 20 0 BDADRP Cc1cc([C@H]2CCCN(CC(C)(C)[NH3+])C2)n[nH]1 ZINC000261818402 135255162 /nfs/dbraw/zinc/25/51/62/135255162.db2.gz QJPHOZQEERLECC-NSHDSACASA-N 2 0 236.363 1.635 20 0 BDADRP COC(=O)[C@]1(C)CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261835703 135256195 /nfs/dbraw/zinc/25/61/95/135256195.db2.gz JJSIECQNWOHUCO-ZDUSSCGKSA-N 2 0 240.347 1.014 20 0 BDADRP C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261831535 135256416 /nfs/dbraw/zinc/25/64/16/135256416.db2.gz JCDBMTOAFZEQDD-AAVRWANBSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@]1(C[N@@H+]2CCC[C@H](CC[NH3+])C2)CC[NH2+]C1 ZINC000261866387 135257819 /nfs/dbraw/zinc/25/78/19/135257819.db2.gz NZXYAMVBEWTCDS-OLZOCXBDSA-N 3 0 225.380 1.047 20 0 BDADRP C[C@@]1(C[N@H+](C[C@H]2CCOC2)C2CC2)CC[NH2+]C1 ZINC000261871918 135258751 /nfs/dbraw/zinc/25/87/51/135258751.db2.gz OZWXSKINKUUBCX-TZMCWYRMSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@H](CNC1=[NH+]CCCN1)[N@@H+]1CCCC[C@H]1C ZINC000261872601 135259186 /nfs/dbraw/zinc/25/91/86/135259186.db2.gz PDCCTNXEGVWDJD-VXGBXAGGSA-N 2 0 238.379 1.188 20 0 BDADRP COC(=O)C[C@@H]1CCC[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261879620 135259397 /nfs/dbraw/zinc/25/93/97/135259397.db2.gz QREZMKGUZROSEW-AAEUAGOBSA-N 2 0 240.347 1.014 20 0 BDADRP COC(=O)C(C)(C)CC[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000261920572 135263308 /nfs/dbraw/zinc/26/33/08/135263308.db2.gz KLEBOLFXEWFRJK-NSHDSACASA-N 2 0 242.363 1.246 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CCOCC2(CCC2)C1 ZINC000261923021 135263665 /nfs/dbraw/zinc/26/36/65/135263665.db2.gz KSTGIVQOWBEKKU-CYBMUJFWSA-N 2 0 238.375 1.489 20 0 BDADRP COCC(C)(C)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261956370 135266462 /nfs/dbraw/zinc/26/64/62/135266462.db2.gz OSVPZATYNBMPKC-SRVKXCTJSA-N 2 0 226.364 1.328 20 0 BDADRP C[C@@H]1[C@H](C)N(C)CC[N@H+]1CC1CC[NH2+]CC1 ZINC000261975197 135269123 /nfs/dbraw/zinc/26/91/23/135269123.db2.gz QSIJKTDHNUASNU-NWDGAFQWSA-N 2 0 225.380 1.010 20 0 BDADRP COCC[N@H+](CC(C)(C)[NH3+])[C@@H]1CC[C@@H](C)C1 ZINC000262014931 135273165 /nfs/dbraw/zinc/27/31/65/135273165.db2.gz VPEMEUILPKLQSC-VXGBXAGGSA-N 2 0 228.380 1.861 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCCCN1Cc1cnc(N)s1 ZINC000262030815 135274114 /nfs/dbraw/zinc/27/41/14/135274114.db2.gz OAEVADBUUXPCFS-WCBMZHEXSA-N 2 0 240.376 1.427 20 0 BDADRP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000262121905 135280924 /nfs/dbraw/zinc/28/09/24/135280924.db2.gz MDJBJVZKYSSVIB-REWJHTLYSA-N 2 0 238.375 1.125 20 0 BDADRP C[C@]1(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC[NH2+]C1 ZINC000262144500 135281254 /nfs/dbraw/zinc/28/12/54/135281254.db2.gz ZKHSEAZLCJCXFU-XUXIUFHCSA-N 3 0 237.391 1.045 20 0 BDADRP c1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)CO2 ZINC000262252898 135287962 /nfs/dbraw/zinc/28/79/62/135287962.db2.gz QEWARIQDFROCFE-ZIAGYGMSSA-N 2 0 246.354 1.722 20 0 BDADRP CCc1nc(C[NH2+]CC2CC[NH2+]CC2)cs1 ZINC000262303395 135292560 /nfs/dbraw/zinc/29/25/60/135292560.db2.gz XUISWYJWBJJBPM-UHFFFAOYSA-N 2 0 239.388 1.795 20 0 BDADRP COCC[N@H+](Cc1cccc2nccn21)C1CC1 ZINC000342676873 135303580 /nfs/dbraw/zinc/30/35/80/135303580.db2.gz DBGKWWGTFUZQSX-UHFFFAOYSA-N 2 0 245.326 1.945 20 0 BDADRP CC[C@H](C(=O)NCCC[NH+](C)C)[NH+](CC)CC ZINC000342685567 135305379 /nfs/dbraw/zinc/30/53/79/135305379.db2.gz YPNVANLBMDAVBA-GFCCVEGCSA-N 2 0 243.395 1.175 20 0 BDADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C[NH3+])c1ccccc1 ZINC000262638699 135310528 /nfs/dbraw/zinc/31/05/28/135310528.db2.gz JHQHITUAYMSLFJ-NSHDSACASA-N 2 0 249.358 1.191 20 0 BDADRP C[C@@]1(C[NH2+]C2CCC([NH3+])CC2)CCCO1 ZINC000087233983 135503055 /nfs/dbraw/zinc/50/30/55/135503055.db2.gz WSXPJTPWNULTGW-MCIGGMRASA-N 2 0 212.337 1.415 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000230687845 135551152 /nfs/dbraw/zinc/55/11/52/135551152.db2.gz AHAILEMNOCMUBN-UTUOFQBUSA-N 2 0 214.353 1.255 20 0 BDADRP C[NH+](C)CCC1CC[NH+](Cc2cc[nH]n2)CC1 ZINC000092381365 135575945 /nfs/dbraw/zinc/57/59/45/135575945.db2.gz XATWPQFUCMGDGC-UHFFFAOYSA-N 2 0 236.363 1.573 20 0 BDADRP CCC1(C[NH+]2CCC(C[NH3+])CC2)CCOCC1 ZINC000346677039 135947008 /nfs/dbraw/zinc/94/70/08/135947008.db2.gz YYOZROAUEIBFSO-UHFFFAOYSA-N 2 0 240.391 1.864 20 0 BDADRP C[NH+](C)CC1CC[NH+](CCc2cn[nH]c2)CC1 ZINC000347753877 136011476 /nfs/dbraw/zinc/01/14/76/136011476.db2.gz VQPWQZUYRITWFD-UHFFFAOYSA-N 2 0 236.363 1.226 20 0 BDADRP CC(C)C[C@H](C)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000347884759 136014841 /nfs/dbraw/zinc/01/48/41/136014841.db2.gz YEGXIBFCXAHMHD-UONOGXRCSA-N 2 0 242.407 1.715 20 0 BDADRP O[C@H](C[NH2+][C@H]1CC[C@H]1C1CC1)C[NH+]1CCCC1 ZINC000348105978 136036922 /nfs/dbraw/zinc/03/69/22/136036922.db2.gz PAASLVNLZKOHJK-RDBSUJKOSA-N 2 0 238.375 1.221 20 0 BDADRP C[C@@H]1C[N@@H+](C2CCC([NH3+])CC2)C[C@@]1(C)C[NH3+] ZINC000335348199 136067300 /nfs/dbraw/zinc/06/73/00/136067300.db2.gz DIEYTKSVLMTSPO-IKWCTNDRSA-N 3 0 225.380 1.173 20 0 BDADRP CN(CC[C@H]1CCC[N@@H+]1C)Cc1ccnn1C ZINC000348371789 136073797 /nfs/dbraw/zinc/07/37/97/136073797.db2.gz XNHARHLWBPKXNG-GFCCVEGCSA-N 2 0 236.363 1.336 20 0 BDADRP [NH3+][C@H]1Cc2ccccc2N(CC2CC[NH2+]CC2)C1 ZINC000335358509 136075011 /nfs/dbraw/zinc/07/50/11/136075011.db2.gz UJMPOLSJJCLPHZ-AWEZNQCLSA-N 2 0 245.370 1.376 20 0 BDADRP Cc1cccc2c1CC[C@H]2[NH2+]CC1C[NH2+]C1 ZINC000335551248 136098218 /nfs/dbraw/zinc/09/82/18/136098218.db2.gz CQAMFPSMOWAFOI-CQSZACIVSA-N 2 0 216.328 1.791 20 0 BDADRP Cc1ccc2c(c1)[C@@H]([NH2+]CC1C[NH2+]C1)CC2 ZINC000335551985 136098519 /nfs/dbraw/zinc/09/85/19/136098519.db2.gz NCVIHYNVLOWNNQ-AWEZNQCLSA-N 2 0 216.328 1.791 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+](C[C@H]3CCOC3)C2)C1 ZINC000335570384 136109185 /nfs/dbraw/zinc/10/91/85/136109185.db2.gz NBDDVQNAZHIKSU-OLZOCXBDSA-N 2 0 224.348 1.051 20 0 BDADRP C[C@@H](NC(=O)CC(C)(C)[NH3+])C(C)(C)C[NH+](C)C ZINC000178817757 397848527 /nfs/dbraw/zinc/84/85/27/397848527.db2.gz GKOKYESFWUTTEC-SNVBAGLBSA-N 2 0 243.395 1.206 20 0 BDADRP CS[C@@H]1CC[C@@H]1[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000336743829 397867331 /nfs/dbraw/zinc/86/73/31/397867331.db2.gz YNLOJEBZVCKMAO-FIQHERPVSA-N 2 0 228.405 1.953 20 0 BDADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCn1cccn1 ZINC000082594408 397965540 /nfs/dbraw/zinc/96/55/40/397965540.db2.gz FYGDKENNMBXWDC-GFCCVEGCSA-N 2 0 222.336 1.086 20 0 BDADRP CCC[C@H](C[NH2+]C[C@H]1CCC[N@H+](C)C1)OC ZINC000382393275 397945916 /nfs/dbraw/zinc/94/59/16/397945916.db2.gz MZPBAADHKMRPHE-CHWSQXEVSA-N 2 0 228.380 1.733 20 0 BDADRP [NH3+]CCC[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000414689081 398018905 /nfs/dbraw/zinc/01/89/05/398018905.db2.gz FOCJDYAKEQMXSO-ZDUSSCGKSA-N 2 0 219.332 1.522 20 0 BDADRP CC[N@H+](C)C[C@@H]1CCN(C[C@H]([NH3+])CC(C)C)C1 ZINC000414705281 398021688 /nfs/dbraw/zinc/02/16/88/398021688.db2.gz LIBPHHYBFXBYBA-UONOGXRCSA-N 2 0 241.423 1.633 20 0 BDADRP C[C@@H](C(=O)NCC1([NH3+])CCCCCC1)[C@H](C)[NH3+] ZINC000375438177 398023636 /nfs/dbraw/zinc/02/36/36/398023636.db2.gz QLGMLENEJBOXMY-MNOVXSKESA-N 2 0 241.379 1.138 20 0 BDADRP COCC1(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)CCC1 ZINC000383765138 398036688 /nfs/dbraw/zinc/03/66/88/398036688.db2.gz FOJDUCFVYMKXHC-ZDUSSCGKSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@@H]1C[C@H](CN2CCC[C@H]3C[NH2+]C[C@H]32)CC[NH2+]1 ZINC000414781803 398037593 /nfs/dbraw/zinc/03/75/93/398037593.db2.gz DDCLLQBOIBXZNG-YIYPIFLZSA-N 2 0 237.391 1.058 20 0 BDADRP C([NH2+]CC1CCOCC1)C1CC[NH2+]CC1 ZINC000086701178 322861708 /nfs/dbraw/zinc/86/17/08/322861708.db2.gz BIXNJRAIUFYXRK-UHFFFAOYSA-N 2 0 212.337 1.002 20 0 BDADRP CNC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000383796390 398040740 /nfs/dbraw/zinc/04/07/40/398040740.db2.gz SBFVIYZGFIXPDW-RYUDHWBXSA-N 2 0 243.395 1.254 20 0 BDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NCC[C@H](C)[NH3+] ZINC000414818571 398043323 /nfs/dbraw/zinc/04/33/23/398043323.db2.gz FLQRDZUJVLWKKT-YNEHKIRRSA-N 2 0 227.396 1.624 20 0 BDADRP CC(C)C[C@H](C[NH3+])NCC[NH2+]C(C)(C)C ZINC000414851540 398059449 /nfs/dbraw/zinc/05/94/49/398059449.db2.gz PFESJCPSBIXSEU-LLVKDONJSA-N 2 0 215.385 1.338 20 0 BDADRP CC(C)C[C@@H](C[NH3+])NCC[NH2+]C(C)(C)C ZINC000414851541 398059536 /nfs/dbraw/zinc/05/95/36/398059536.db2.gz PFESJCPSBIXSEU-NSHDSACASA-N 2 0 215.385 1.338 20 0 BDADRP C[NH2+]CCC[NH2+][C@H](COC)CC(C)C ZINC000414857873 398065979 /nfs/dbraw/zinc/06/59/79/398065979.db2.gz GJKUFSFANLKXIN-NSHDSACASA-N 2 0 202.342 1.247 20 0 BDADRP CC[C@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000186600326 398069902 /nfs/dbraw/zinc/06/99/02/398069902.db2.gz ATRPTZKCJRBTSW-QWHCGFSZSA-N 2 0 227.396 1.401 20 0 BDADRP C[C@@H](C[N@@H+]1CCO[C@H](C[NH3+])C1)C(C)(C)C ZINC000389323125 398074010 /nfs/dbraw/zinc/07/40/10/398074010.db2.gz CYCNEVRSLBAATJ-WDEREUQCSA-N 2 0 214.353 1.328 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](CNCc2ccns2)C1 ZINC000404414163 398085611 /nfs/dbraw/zinc/08/56/11/398085611.db2.gz BNFIBCNETNEZPW-LLVKDONJSA-N 2 0 239.388 1.963 20 0 BDADRP COCC[N@@H+](Cc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000384408665 398088367 /nfs/dbraw/zinc/08/83/67/398088367.db2.gz IZAMDMGGPMYUDT-HNNXBMFYSA-N 2 0 248.370 1.745 20 0 BDADRP C[C@@H]1CSC[C@H]1[NH2+][C@H]1CCN(CC2CC2)C1 ZINC000648449975 398051852 /nfs/dbraw/zinc/05/18/52/398051852.db2.gz DETJPSZVBJGESC-KGYLQXTDSA-N 2 0 240.416 1.812 20 0 BDADRP CC1(C)CCC[NH2+][C@@H]1C[NH2+]C[C@@H]1CCCOC1 ZINC000414923804 398100347 /nfs/dbraw/zinc/10/03/47/398100347.db2.gz GBJPJNBROVCTOY-QWHCGFSZSA-N 2 0 240.391 1.781 20 0 BDADRP CC1(C)CC[C@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000309049036 398103799 /nfs/dbraw/zinc/10/37/99/398103799.db2.gz OJUDJIYLGMIULN-SNVBAGLBSA-N 2 0 212.337 1.273 20 0 BDADRP CCC(O)(CC)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000245907607 398119550 /nfs/dbraw/zinc/11/95/50/398119550.db2.gz BKWOOHWOWJEPAX-STQMWFEESA-N 2 0 240.391 1.754 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](Cc2cnn(C)c2)C[C@H]1C[NH3+] ZINC000397318431 398119643 /nfs/dbraw/zinc/11/96/43/398119643.db2.gz ADHFCUDVSYANCL-NTZNESFSSA-N 2 0 236.363 1.225 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(=O)[nH]c1 ZINC000309390181 398120208 /nfs/dbraw/zinc/12/02/08/398120208.db2.gz HNKCUDXDOVNVRA-SNVBAGLBSA-N 2 0 223.320 1.217 20 0 BDADRP COC[C@@]1(C[NH2+][C@@H](C)CCC2CC2)CCC[NH2+]1 ZINC000414957609 398127037 /nfs/dbraw/zinc/12/70/37/398127037.db2.gz QFHUPXVAXLYUQP-JSGCOSHPSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H]1CN(Cc2ccc3c(c2)C[NH2+]CC3)CC[NH2+]1 ZINC000572008367 398129125 /nfs/dbraw/zinc/12/91/25/398129125.db2.gz VQXSEYLTOJOABS-LBPRGKRZSA-N 2 0 245.370 1.126 20 0 BDADRP C[C@H]1CC[C@H](C[NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)O1 ZINC000398121637 322864910 /nfs/dbraw/zinc/86/49/10/322864910.db2.gz RCWGGKXLOSIQRL-YVECIDJPSA-N 2 0 226.364 1.532 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCCOC(F)F ZINC000398240931 322867080 /nfs/dbraw/zinc/86/70/80/322867080.db2.gz WXGCJTBLOKTHRB-ZJUUUORDSA-N 2 0 236.306 1.723 20 0 BDADRP CC(C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000119268455 167095896 /nfs/dbraw/zinc/09/58/96/167095896.db2.gz CIISFTSCLFYBLJ-UONOGXRCSA-N 2 0 240.391 1.752 20 0 BDADRP FC1(F)CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000259517700 322882435 /nfs/dbraw/zinc/88/24/35/322882435.db2.gz PJQGLQJREKSPPL-JTQLQIEISA-N 2 0 218.291 1.717 20 0 BDADRP CC(C)OCCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357087776 167216616 /nfs/dbraw/zinc/21/66/16/167216616.db2.gz WZKDLTYEHXYFCV-STQMWFEESA-N 2 0 226.364 1.343 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCC[NH+](C)C)CS1 ZINC000086934338 487589869 /nfs/dbraw/zinc/58/98/69/487589869.db2.gz LGSGIEANCIUBLH-NXEZZACHSA-N 2 0 202.367 1.422 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000070356914 487589948 /nfs/dbraw/zinc/58/99/48/487589948.db2.gz RQPXJFHZZYVFAI-CHWSQXEVSA-N 2 0 240.391 1.875 20 0 BDADRP C(NC1CC[NH+](C2CC2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000232475041 487597259 /nfs/dbraw/zinc/59/72/59/487597259.db2.gz HFXGELLRDOMLEM-ZDUSSCGKSA-N 2 0 237.391 1.345 20 0 BDADRP COC[C@H](C)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000222994878 487603094 /nfs/dbraw/zinc/60/30/94/487603094.db2.gz PQTNUWWZXNPSCJ-GMTAPVOTSA-N 2 0 200.326 1.128 20 0 BDADRP CO[C@@H](C)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000223865980 487604309 /nfs/dbraw/zinc/60/43/09/487604309.db2.gz YPZVJCODTWSTJS-QWRGUYRKSA-N 2 0 214.353 1.341 20 0 BDADRP Cc1cc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)ncn1 ZINC000662245725 409537793 /nfs/dbraw/zinc/53/77/93/409537793.db2.gz NLMOOFBRZPWTCX-LLVKDONJSA-N 2 0 234.347 1.344 20 0 BDADRP CO[C@@H](C[N@@H+]1CC[C@H](C[NH3+])C1)C1CCCCC1 ZINC000662245204 409538145 /nfs/dbraw/zinc/53/81/45/409538145.db2.gz IUFBYQCEIWSFQB-OCCSQVGLSA-N 2 0 240.391 1.862 20 0 BDADRP Cc1cc(C[NH+]2CCC([C@H](C)[NH3+])CC2)ncn1 ZINC000662245726 409539326 /nfs/dbraw/zinc/53/93/26/409539326.db2.gz NLMOOFBRZPWTCX-NSHDSACASA-N 2 0 234.347 1.344 20 0 BDADRP C[C@@]12COC[C@@H]1C[N@H+](CCC1CC[NH2+]CC1)C2 ZINC000662310196 409632767 /nfs/dbraw/zinc/63/27/67/409632767.db2.gz HPYROSCTNAMCAI-UONOGXRCSA-N 2 0 238.375 1.344 20 0 BDADRP [NH3+]CCC[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000662316603 409636732 /nfs/dbraw/zinc/63/67/32/409636732.db2.gz JUUQDVSHSBEGNP-CYBMUJFWSA-N 2 0 220.316 1.489 20 0 BDADRP C([C@@H]1C[C@H]2C[C@H]2C1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000662272244 409579265 /nfs/dbraw/zinc/57/92/65/409579265.db2.gz CWZPLHDVLLQUDN-LXTVHRRPSA-N 2 0 249.402 1.012 20 0 BDADRP C[N@H+](CC[C@H]1CCc2ccccc21)C[C@@H](O)C[NH3+] ZINC000662276526 409588797 /nfs/dbraw/zinc/58/87/97/409588797.db2.gz JTKPAWSVUGXLLS-KGLIPLIRSA-N 2 0 248.370 1.358 20 0 BDADRP OCC1([NH2+]CCCC2CCC2)CC[NH2+]CC1 ZINC000662283273 409610229 /nfs/dbraw/zinc/61/02/29/409610229.db2.gz GSMWQQXCBUFUKT-UHFFFAOYSA-N 2 0 226.364 1.271 20 0 BDADRP C[C@H]1CCCC[C@@H]1C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662283832 409615576 /nfs/dbraw/zinc/61/55/76/409615576.db2.gz KSDATWNZTSILGE-QWHCGFSZSA-N 2 0 240.391 1.517 20 0 BDADRP CC(C)SCC[NH2+][C@@H](C)CCC[NH3+] ZINC000308129546 167331789 /nfs/dbraw/zinc/33/17/89/167331789.db2.gz HOXXBWXLYMXDJW-JTQLQIEISA-N 2 0 204.383 1.845 20 0 BDADRP C[C@H](O)C[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000565593651 322924932 /nfs/dbraw/zinc/92/49/32/322924932.db2.gz JUUJXEJQHSKVIN-MCIONIFRSA-N 2 0 242.407 1.715 20 0 BDADRP C[NH2+]Cc1ccccc1CNC(=O)CCCC[NH3+] ZINC000653214088 410166382 /nfs/dbraw/zinc/16/63/82/410166382.db2.gz GDWFWNBPAFIRRH-UHFFFAOYSA-N 2 0 249.358 1.151 20 0 BDADRP Cc1cc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)cs1 ZINC000309037740 410205152 /nfs/dbraw/zinc/20/51/52/410205152.db2.gz HISYZUIGTQTHDT-VXGBXAGGSA-N 2 0 222.357 1.708 20 0 BDADRP CC(C)([NH3+])CCC(=O)N1CCC(CC[NH3+])CC1 ZINC000653257332 410240549 /nfs/dbraw/zinc/24/05/49/410240549.db2.gz JMJJIJYHCJZVBP-UHFFFAOYSA-N 2 0 241.379 1.091 20 0 BDADRP C[C@@H]1C[C@H]1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709776 410339338 /nfs/dbraw/zinc/33/93/38/410339338.db2.gz PYNIRNBBBGPSTE-VOAKCMCISA-N 2 0 208.349 1.703 20 0 BDADRP CC(C)(C)[NH2+]CCN1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709630 410339672 /nfs/dbraw/zinc/33/96/72/410339672.db2.gz IYYYQEREMQVYHJ-JSGCOSHPSA-N 2 0 239.407 1.435 20 0 BDADRP C[C@H]1C[C@H](C[NH2+]CCC2(C[NH3+])CC2)CC[NH2+]1 ZINC000650713798 410344245 /nfs/dbraw/zinc/34/42/45/410344245.db2.gz CETMBCQEZAXIGZ-NWDGAFQWSA-N 3 0 225.380 1.093 20 0 BDADRP c1ccc2c(c1)C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)CN2 ZINC000650715171 410351499 /nfs/dbraw/zinc/35/14/99/410351499.db2.gz SLZQPIDISWNZEP-KBPBESRZSA-N 2 0 245.370 1.755 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CCO[C@@H]1C ZINC000650719470 410358801 /nfs/dbraw/zinc/35/88/01/410358801.db2.gz RCAYVAWJYSVVSB-RISCZKNCSA-N 2 0 234.343 1.673 20 0 BDADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CC2CC2)C1 ZINC000650723188 410359911 /nfs/dbraw/zinc/35/99/11/410359911.db2.gz IQYNYWOSIZAZIM-MGPQQGTHSA-N 2 0 238.375 1.757 20 0 BDADRP FC1(F)C[C@]12CC[N@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000650725326 410362840 /nfs/dbraw/zinc/36/28/40/410362840.db2.gz YJTIKALRTMHOKO-QWRGUYRKSA-N 2 0 230.302 1.717 20 0 BDADRP CC(C)C[N@H+](C)CCCN[C@H](C)C1C[NH2+]C1 ZINC000650741187 410371844 /nfs/dbraw/zinc/37/18/44/410371844.db2.gz ZSYFDUBHDBBZON-GFCCVEGCSA-N 2 0 227.396 1.162 20 0 BDADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccccn1 ZINC000650745637 410383320 /nfs/dbraw/zinc/38/33/20/410383320.db2.gz KWYRVYMAWCEPJG-LLVKDONJSA-N 2 0 219.332 1.861 20 0 BDADRP C[C@H]([NH2+][C@@H]1CNc2ccccc2C1)C1C[NH2+]C1 ZINC000650748267 410387450 /nfs/dbraw/zinc/38/74/50/410387450.db2.gz QYSLJCZXAKIEHS-GWCFXTLKSA-N 2 0 231.343 1.221 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650747788 410388111 /nfs/dbraw/zinc/38/81/11/410388111.db2.gz HUZHWGKZUBMRQK-NWDGAFQWSA-N 3 0 225.380 1.223 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650755781 410399843 /nfs/dbraw/zinc/39/98/43/410399843.db2.gz MQRQMERNCXKGEY-NXEZZACHSA-N 3 0 239.338 1.500 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000650757902 410404285 /nfs/dbraw/zinc/40/42/85/410404285.db2.gz DOJSBXHDHDENJV-IUODEOHRSA-N 2 0 248.370 1.921 20 0 BDADRP C[C@H](COCC1CC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000650760700 410407182 /nfs/dbraw/zinc/40/71/82/410407182.db2.gz KIUVUCKLEGFQQV-BKQLOGFTSA-N 2 0 238.375 1.674 20 0 BDADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000650761640 410409240 /nfs/dbraw/zinc/40/92/40/410409240.db2.gz GDXCIGJOLOBSSH-AAEUAGOBSA-N 3 0 225.380 1.106 20 0 BDADRP C[C@@H](COCC1CC1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000650760812 410409583 /nfs/dbraw/zinc/40/95/83/410409583.db2.gz MPQJGZDRDPYJMT-DCBWTQNWSA-N 2 0 240.391 1.909 20 0 BDADRP CCOC[C@@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650763499 410413877 /nfs/dbraw/zinc/41/38/77/410413877.db2.gz BYWMPUJJNCKHLB-LLVKDONJSA-N 2 0 214.353 1.391 20 0 BDADRP COC[C@H](CC[NH2+][C@H]1CC[NH2+]CC[C@H]1C)OC ZINC000665234779 410727246 /nfs/dbraw/zinc/72/72/46/410727246.db2.gz KBBMURKPGUYZQS-AGIUHOORSA-N 2 0 244.379 1.016 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)C1C[NH2+]C1 ZINC000665265034 410736513 /nfs/dbraw/zinc/73/65/13/410736513.db2.gz OCRIBDGTMVFGCU-CKYFFXLPSA-N 2 0 212.337 1.142 20 0 BDADRP CC(C)(F)CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000665261366 410737080 /nfs/dbraw/zinc/73/70/80/410737080.db2.gz ACEJUMHTLKSBRZ-ZJUUUORDSA-N 2 0 202.317 1.984 20 0 BDADRP Cc1cncc(CC[NH2+][C@H]2CCCC[C@H]2C[NH3+])n1 ZINC000665274075 410743515 /nfs/dbraw/zinc/74/35/15/410743515.db2.gz JHADMQWUSDVKTB-JSGCOSHPSA-N 2 0 248.374 1.435 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@@H](C)C[C@H](C)[NH3+])C1 ZINC000665273838 410743759 /nfs/dbraw/zinc/74/37/59/410743759.db2.gz FLIVTRNSRDDYQT-SRVKXCTJSA-N 2 0 213.369 1.186 20 0 BDADRP C[C@@H](C1CC1)[N@H+](C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000393735461 410757614 /nfs/dbraw/zinc/75/76/14/410757614.db2.gz BFOYMYFJJKCXTQ-WDEREUQCSA-N 2 0 208.349 1.859 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1C ZINC000393837407 410763612 /nfs/dbraw/zinc/76/36/12/410763612.db2.gz RGNLSSSEBVJGID-MGPQQGTHSA-N 2 0 242.407 1.856 20 0 BDADRP CC(C)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000201476166 487618822 /nfs/dbraw/zinc/61/88/22/487618822.db2.gz WFIUGTBWOHQMIH-CYBMUJFWSA-N 2 0 226.364 1.173 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)CN1CCS[C@H](C)C1 ZINC000309302479 410793493 /nfs/dbraw/zinc/79/34/93/410793493.db2.gz YVPQKEYJAHRNHJ-NEPJUHHUSA-N 2 0 246.420 1.125 20 0 BDADRP CC(C)CC[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000053382883 166860494 /nfs/dbraw/zinc/86/04/94/166860494.db2.gz CKWRXFQBYQNPOD-UHFFFAOYSA-N 2 0 241.423 1.648 20 0 BDADRP CCC(C)(C)[NH+]1CCN(C(=O)C[C@@H](C)[NH3+])CC1 ZINC000655494537 410873848 /nfs/dbraw/zinc/87/38/48/410873848.db2.gz KKYUSPDFYLYRDM-LLVKDONJSA-N 2 0 241.379 1.057 20 0 BDADRP CC(C)[NH2+]C1CC[NH+](CCC(C)(C)O)CC1 ZINC000336673839 167095956 /nfs/dbraw/zinc/09/59/56/167095956.db2.gz OTCSHCCKJSSAKU-UHFFFAOYSA-N 2 0 228.380 1.610 20 0 BDADRP CC(C)OCCC[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000300915300 167222177 /nfs/dbraw/zinc/22/21/77/167222177.db2.gz XYPPYOPJCLCCIJ-GFCCVEGCSA-N 2 0 228.380 1.779 20 0 BDADRP CC(C)OCCC[NH2+][C@H](C)CCC[NH3+] ZINC000336703439 167224406 /nfs/dbraw/zinc/22/44/06/167224406.db2.gz ZZWNEIZPADZZQC-LLVKDONJSA-N 2 0 202.342 1.519 20 0 BDADRP CC(C)OCC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063200294 167232058 /nfs/dbraw/zinc/23/20/58/167232058.db2.gz CVJAFKVVBJFNNR-CQSZACIVSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1cnccc1CC[NH2+][C@@H](C)c1nncn1C ZINC000397528604 410925365 /nfs/dbraw/zinc/92/53/65/410925365.db2.gz UFFMTHLDNWVZST-NSHDSACASA-N 2 0 245.330 1.412 20 0 BDADRP CC[NH+](CC)Cc1cccc(CNC(=O)C[NH3+])c1 ZINC000236905425 169791005 /nfs/dbraw/zinc/79/10/05/169791005.db2.gz ACGZPYAXCIUTQA-UHFFFAOYSA-N 2 0 249.358 1.103 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)N[C@H](C)C[NH+](CC)CC ZINC000041680194 410933696 /nfs/dbraw/zinc/93/36/96/410933696.db2.gz ZWEYAFPANNEDCE-DGCLKSJQSA-N 2 0 243.395 1.350 20 0 BDADRP C[C@@H](CCCCO)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000651402600 410984703 /nfs/dbraw/zinc/98/47/03/410984703.db2.gz LCLBLUYJNYQQBT-HSBZDZAISA-N 2 0 242.407 2.000 20 0 BDADRP c1c2cnccc2oc1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000651651806 411133009 /nfs/dbraw/zinc/13/30/09/411133009.db2.gz LGZPQCRAIKPHBV-TXEJJXNPSA-N 2 0 243.310 1.479 20 0 BDADRP C[NH2+]CCC1CC[NH+](Cc2ccno2)CC1 ZINC000069730635 411158448 /nfs/dbraw/zinc/15/84/48/411158448.db2.gz IRZXBWRAXUWOIB-UHFFFAOYSA-N 2 0 223.320 1.496 20 0 BDADRP CC(C)C[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000047892524 411168358 /nfs/dbraw/zinc/16/83/58/411168358.db2.gz PQVKDLPEZLWGRG-UHFFFAOYSA-N 2 0 227.396 1.260 20 0 BDADRP c1cncc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000401002776 411168704 /nfs/dbraw/zinc/16/87/04/411168704.db2.gz CEUTXLXIVGCZHS-MELADBBJSA-N 2 0 231.343 1.559 20 0 BDADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000401005390 411169708 /nfs/dbraw/zinc/16/97/08/411169708.db2.gz BMNFXPDMDCKPOW-RBSFLKMASA-N 3 0 249.402 1.226 20 0 BDADRP OCCC1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000401006829 411169804 /nfs/dbraw/zinc/16/98/04/411169804.db2.gz CDHDCTPYRXIPRO-CYBMUJFWSA-N 2 0 226.364 1.080 20 0 BDADRP c1cnn(CCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000401039025 411173234 /nfs/dbraw/zinc/17/32/34/411173234.db2.gz SOQRNDSDYWDKBX-MGPQQGTHSA-N 2 0 248.374 1.251 20 0 BDADRP C[C@H](CCCO)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401037969 411173523 /nfs/dbraw/zinc/17/35/23/411173523.db2.gz ZQRHBCIKHDCOSD-MROQNXINSA-N 2 0 226.364 1.125 20 0 BDADRP CCOCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401055398 411174088 /nfs/dbraw/zinc/17/40/88/411174088.db2.gz HPAPRRQABDKKDQ-RWMBFGLXSA-N 2 0 226.364 1.391 20 0 BDADRP C[C@H](O)CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401060091 411174140 /nfs/dbraw/zinc/17/41/40/411174140.db2.gz JGASFFCFGFAGIA-WUHRBBMRSA-N 2 0 226.364 1.125 20 0 BDADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCCn3nccc32)CC1 ZINC000657938986 411174727 /nfs/dbraw/zinc/17/47/27/411174727.db2.gz SJXZGIJYAJNQBC-CYBMUJFWSA-N 2 0 246.358 1.570 20 0 BDADRP COCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401117009 411176300 /nfs/dbraw/zinc/17/63/00/411176300.db2.gz IMMBFDHGIRRKEO-QJPTWQEYSA-N 2 0 212.337 1.001 20 0 BDADRP COC[C@H](C)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401084027 411176513 /nfs/dbraw/zinc/17/65/13/411176513.db2.gz UFSUZLPLSKWLHB-FVCCEPFGSA-N 2 0 226.364 1.247 20 0 BDADRP CCn1ccnc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401087743 411176945 /nfs/dbraw/zinc/17/69/45/411176945.db2.gz SBMAOSJQRSNPGX-RWMBFGLXSA-N 2 0 248.374 1.381 20 0 BDADRP CC[C@H](CCO)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401083533 411176976 /nfs/dbraw/zinc/17/69/76/411176976.db2.gz TVYWLFWICLIZIV-WUHRBBMRSA-N 2 0 226.364 1.125 20 0 BDADRP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H]1CCSC1 ZINC000401094122 411177902 /nfs/dbraw/zinc/17/79/02/411177902.db2.gz ZGBFVOLVJLMBAY-FDYHWXHSSA-N 2 0 240.416 1.717 20 0 BDADRP Cc1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)on1 ZINC000401136194 411178012 /nfs/dbraw/zinc/17/80/12/411178012.db2.gz QRUOHPOQWSRJBX-IJLUTSLNSA-N 2 0 235.331 1.461 20 0 BDADRP CCN(C)C[C@H](O)C[N@@H+]1CC(C)(C)[C@@H]1C(C)C ZINC000656152503 411187366 /nfs/dbraw/zinc/18/73/66/411187366.db2.gz KSDCTAQOSKQVPW-STQMWFEESA-N 2 0 242.407 1.665 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H](N[C@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC000656193034 411198650 /nfs/dbraw/zinc/19/86/50/411198650.db2.gz JEYROLRJAAZTRY-UPJWGTAASA-N 2 0 237.391 1.521 20 0 BDADRP C[C@H](Cc1ccccn1)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000656193229 411199933 /nfs/dbraw/zinc/19/99/33/411199933.db2.gz ALBXDCPCBDYGIJ-YRGRVCCFSA-N 2 0 233.359 1.872 20 0 BDADRP C[C@H](Cc1ccccn1)[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000656193342 411200693 /nfs/dbraw/zinc/20/06/93/411200693.db2.gz HIKUJKPJEYSSQQ-BFHYXJOUSA-N 2 0 247.386 1.990 20 0 BDADRP CC(C)C[N@H+](C)CCCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000656199981 411203902 /nfs/dbraw/zinc/20/39/02/411203902.db2.gz DGXQJFGLJWBXIW-KBPBESRZSA-N 2 0 241.423 1.824 20 0 BDADRP COCC1(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000656199835 411204411 /nfs/dbraw/zinc/20/44/11/411204411.db2.gz FJAIAMVISPUQJQ-NWDGAFQWSA-N 2 0 226.364 1.663 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000656200385 411204426 /nfs/dbraw/zinc/20/44/26/411204426.db2.gz LURBMTFQOXCYCW-MCIONIFRSA-N 3 0 239.407 1.578 20 0 BDADRP COCC1(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000656200298 411204978 /nfs/dbraw/zinc/20/49/78/411204978.db2.gz LCZWVSOWULDRMM-NEPJUHHUSA-N 2 0 226.364 1.520 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656200966 411205018 /nfs/dbraw/zinc/20/50/18/411205018.db2.gz GSXUHWCEVMZHFF-XDQVBPFNSA-N 2 0 239.407 1.719 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000656201092 411206762 /nfs/dbraw/zinc/20/67/62/411206762.db2.gz SFPJSNWBJDKPDU-FVCCEPFGSA-N 3 0 225.380 1.044 20 0 BDADRP CC[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652345544 411208980 /nfs/dbraw/zinc/20/89/80/411208980.db2.gz DVFOUTUUEUAMCP-TUAOUCFPSA-N 2 0 212.337 1.225 20 0 BDADRP C[NH2+]CCCN1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000652356138 411214895 /nfs/dbraw/zinc/21/48/95/411214895.db2.gz TZPZQYKFJQJFMF-NEPJUHHUSA-N 2 0 213.369 1.045 20 0 BDADRP C[C@@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)[C@H]1CC[NH3+] ZINC000652355681 411215375 /nfs/dbraw/zinc/21/53/75/411215375.db2.gz DHYHTRZUMXGEFS-MCIONIFRSA-N 3 0 239.407 1.435 20 0 BDADRP C[C@H]1CC[C@@H]([NH2+]CCC[NH+](C)C)CS1 ZINC000655684773 411227212 /nfs/dbraw/zinc/22/72/12/411227212.db2.gz WLHXYZKQDYZNAS-WDEREUQCSA-N 2 0 216.394 1.812 20 0 BDADRP CC[C@@H]1C[N@H+](CCn2cc(C)cn2)CC[C@@H]1[NH3+] ZINC000310311741 411232940 /nfs/dbraw/zinc/23/29/40/411232940.db2.gz UYGJWOBALFCNKT-OLZOCXBDSA-N 2 0 236.363 1.251 20 0 BDADRP CC[C@H]1C[N@H+](CCn2cc(C)cn2)CC[C@@H]1[NH3+] ZINC000310311743 411232997 /nfs/dbraw/zinc/23/29/97/411232997.db2.gz UYGJWOBALFCNKT-STQMWFEESA-N 2 0 236.363 1.251 20 0 BDADRP CS[C@H](C)C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422940538 411235249 /nfs/dbraw/zinc/23/52/49/411235249.db2.gz SYYPEWVCCVDVSY-OUAUKWLOSA-N 2 0 216.394 1.988 20 0 BDADRP C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000423173206 411236534 /nfs/dbraw/zinc/23/65/34/411236534.db2.gz XLJHKANPBTZJRC-OLZOCXBDSA-N 2 0 247.386 1.990 20 0 BDADRP OCCC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000400953602 411166508 /nfs/dbraw/zinc/16/65/08/411166508.db2.gz GGXXTNXBWNHQLB-FRRDWIJNSA-N 2 0 238.375 1.127 20 0 BDADRP OCCC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000400953604 411166645 /nfs/dbraw/zinc/16/66/45/411166645.db2.gz GGXXTNXBWNHQLB-JHJVBQTASA-N 2 0 238.375 1.127 20 0 BDADRP COCCCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400974491 411167158 /nfs/dbraw/zinc/16/71/58/411167158.db2.gz RBEIKJMVQIILKH-BFHYXJOUSA-N 2 0 240.391 1.781 20 0 BDADRP CC[C@H]1C[N@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000050952671 411269787 /nfs/dbraw/zinc/26/97/87/411269787.db2.gz PUGHFNVCKJCEAK-AWEZNQCLSA-N 2 0 240.391 1.877 20 0 BDADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cccc(O)c1)C2 ZINC000310807332 411284407 /nfs/dbraw/zinc/28/44/07/411284407.db2.gz YSYITXDAWZFRPZ-ZFWWWQNUSA-N 2 0 246.354 1.953 20 0 BDADRP C([C@@H]1CC[NH2+]C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062980281 411330731 /nfs/dbraw/zinc/33/07/31/411330731.db2.gz PJNGNHDZMCKWTL-KGLIPLIRSA-N 2 0 237.391 1.156 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC3(F)CC3)C[C@H]21 ZINC000309420157 411306921 /nfs/dbraw/zinc/30/69/21/411306921.db2.gz XUMCPRMISLXCHB-GMTAPVOTSA-N 2 0 212.312 1.548 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000309056349 411315051 /nfs/dbraw/zinc/31/50/51/411315051.db2.gz SVURJAHXRFXVMC-RVMXOQNASA-N 2 0 210.365 1.962 20 0 BDADRP COC[C@H](C)[NH2+]C[C@H]1CCN1C(C)(C)C ZINC000656676667 411322939 /nfs/dbraw/zinc/32/29/39/411322939.db2.gz PKFXQWQBEZYFGN-WDEREUQCSA-N 2 0 214.353 1.484 20 0 BDADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2C[C@H](O)C2)CC1 ZINC000658351132 411353401 /nfs/dbraw/zinc/35/34/01/411353401.db2.gz TUJGASAXFLVQQY-HAQNSBGRSA-N 2 0 226.364 1.362 20 0 BDADRP CC(C)(C)[NH+]1CCC([NH2+]C2CC(CO)C2)CC1 ZINC000658352854 411356819 /nfs/dbraw/zinc/35/68/19/411356819.db2.gz ZKFDLIJAGXFWED-UHFFFAOYSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@H](C[NH2+]C1CC[NH2+]CC1)c1ccccn1 ZINC000656783322 411360188 /nfs/dbraw/zinc/36/01/88/411360188.db2.gz PCXGRKYGAOLKAH-LLVKDONJSA-N 2 0 219.332 1.527 20 0 BDADRP Nc1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000656786048 411364398 /nfs/dbraw/zinc/36/43/98/411364398.db2.gz UKHJYKYCDZUVKX-KCQAQPDRSA-N 2 0 245.370 1.747 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc2c(c1)C[NH2+]CC2 ZINC000656786749 411366025 /nfs/dbraw/zinc/36/60/25/411366025.db2.gz QBIWGLHIKHRZSF-NWDGAFQWSA-N 3 0 247.386 1.548 20 0 BDADRP C[C@@H](C[C@@H]1CCC[NH2+]1)NCC1([NH3+])CCCC1 ZINC000656789638 411368901 /nfs/dbraw/zinc/36/89/01/411368901.db2.gz UBTVWIRERPZRAF-RYUDHWBXSA-N 2 0 225.380 1.378 20 0 BDADRP [NH3+]CCCN[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000656789290 411369403 /nfs/dbraw/zinc/36/94/03/411369403.db2.gz LQXZXWQEZWJFKY-ZIAGYGMSSA-N 2 0 233.359 1.071 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+](C)CC2=CCCOC2)CC[NH2+]1 ZINC000656791227 411371147 /nfs/dbraw/zinc/37/11/47/411371147.db2.gz XBCCRABWGINIBG-CHWSQXEVSA-N 2 0 238.375 1.653 20 0 BDADRP c1cc([C@@H]2C[NH2+]CCO2)ccc1N[C@@H]1CC[NH2+]C1 ZINC000656793256 411372064 /nfs/dbraw/zinc/37/20/64/411372064.db2.gz SBMXXVUNSXSABO-KGLIPLIRSA-N 2 0 247.342 1.121 20 0 BDADRP CC1(C)[C@H]([NH2+]C2CCC([NH3+])CC2)C[C@@H]1O ZINC000163362008 168001850 /nfs/dbraw/zinc/00/18/50/168001850.db2.gz HYKLYGYCFDTWPP-LXKPXOPUSA-N 2 0 212.337 1.005 20 0 BDADRP CC1(C)[C@H](O)CC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000361402227 168007175 /nfs/dbraw/zinc/00/71/75/168007175.db2.gz HGDHDCQOHASCDD-CYBMUJFWSA-N 2 0 240.391 1.708 20 0 BDADRP CC1(O)C[C@H]2CC[C@@H](C1)[N@H+]2CCn1ccnc1 ZINC000372313947 168070725 /nfs/dbraw/zinc/07/07/25/168070725.db2.gz VTMPORWRYVOPEV-FUNVUKJBSA-N 2 0 235.331 1.261 20 0 BDADRP CC1(c2nc(C3([NH3+])CCCCC3)no2)C[NH2+]C1 ZINC000333461549 168072290 /nfs/dbraw/zinc/07/22/90/168072290.db2.gz GPIRROYEUSWYGU-UHFFFAOYSA-N 2 0 236.319 1.049 20 0 BDADRP [NH3+]C1(c2noc([C@H]3C[C@]34CCC[NH2+]C4)n2)CCC1 ZINC000653490618 411381147 /nfs/dbraw/zinc/38/11/47/411381147.db2.gz PWBJLIIHHRVNGD-SKDRFNHKSA-N 2 0 248.330 1.265 20 0 BDADRP CC1CCC([NH2+]CC2(O)CC[NH+](C)CC2)CC1 ZINC000334193467 168162670 /nfs/dbraw/zinc/16/26/70/168162670.db2.gz KRQRVRYPZAUWBY-UHFFFAOYSA-N 2 0 240.391 1.611 20 0 BDADRP C([C@H]1CCOC1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000216280853 411389482 /nfs/dbraw/zinc/38/94/82/411389482.db2.gz NZGKLXVHEHVFJR-RDBSUJKOSA-N 2 0 238.375 1.487 20 0 BDADRP CC(C)[NH2+]CC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000659294138 411389626 /nfs/dbraw/zinc/38/96/26/411389626.db2.gz LYSICYGNVXMRMJ-LLVKDONJSA-N 2 0 249.358 1.321 20 0 BDADRP C[NH2+][C@H]1CCN(C[C@@H](OC)C2CCCCC2)C1 ZINC000662233609 411382959 /nfs/dbraw/zinc/38/29/59/411382959.db2.gz AAPDWXFMSWZQQZ-UONOGXRCSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1cnccc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000129733815 411385289 /nfs/dbraw/zinc/38/52/89/411385289.db2.gz UCEVXXZQJRFHKK-ZDUSSCGKSA-N 2 0 219.332 1.622 20 0 BDADRP CCOCCC[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404370281 411392671 /nfs/dbraw/zinc/39/26/71/411392671.db2.gz IRFZZBCRKQBKQG-QWHCGFSZSA-N 2 0 228.380 1.862 20 0 BDADRP C[C@@H]1CCC[N@H+](Cc2ccnn2C)[C@@H]1CC[NH3+] ZINC000404450932 411397170 /nfs/dbraw/zinc/39/71/70/411397170.db2.gz YPVHEVIDUCALQV-DGCLKSJQSA-N 2 0 236.363 1.369 20 0 BDADRP CCC[C@H]1CCC[N@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000653568605 411424589 /nfs/dbraw/zinc/42/45/89/411424589.db2.gz DVFSTWWPYWAKBO-UONOGXRCSA-N 2 0 242.407 1.811 20 0 BDADRP CC[C@H]1C[N@H+](Cc2nc(C)ccc2O)CC[C@@H]1[NH3+] ZINC000122238965 411425598 /nfs/dbraw/zinc/42/55/98/411425598.db2.gz HGQFXWREEWDAME-RYUDHWBXSA-N 2 0 249.358 1.655 20 0 BDADRP CCO[C@@H]1C[N@H+](C[C@H]2CCSC2)C[C@H]1C[NH3+] ZINC000405846839 411443345 /nfs/dbraw/zinc/44/33/45/411443345.db2.gz HXUPCDFBPDAEFE-IJLUTSLNSA-N 2 0 244.404 1.035 20 0 BDADRP c1cc(C[NH2+]C2CC2)n(-c2cc[nH+]cc2)n1 ZINC000657285553 411443969 /nfs/dbraw/zinc/44/39/69/411443969.db2.gz JAQVREDKENDFDL-UHFFFAOYSA-N 2 0 214.272 1.519 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+][C@H](C)CC[NH+](C)C)CO1 ZINC000657334425 411463932 /nfs/dbraw/zinc/46/39/32/411463932.db2.gz ABURESFQPAFJEK-GRYCIOLGSA-N 2 0 214.353 1.484 20 0 BDADRP Cc1ncc(C[NH2+][C@H](C)c2cccnc2)n1C ZINC000657292304 411453237 /nfs/dbraw/zinc/45/32/37/411453237.db2.gz LYSROPOVJIWNIW-SNVBAGLBSA-N 2 0 230.315 1.974 20 0 BDADRP C[NH2+]C[C@H](C)CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000414851174 411453763 /nfs/dbraw/zinc/45/37/63/411453763.db2.gz OURGNAWYFNNXMW-IGQOVBAYSA-N 2 0 239.407 1.352 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC)C2)CO1 ZINC000657337180 411472229 /nfs/dbraw/zinc/47/22/29/411472229.db2.gz LKPCZMHTFPYVSJ-MELADBBJSA-N 2 0 240.391 1.875 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](CC(C)C)C1 ZINC000307846839 411487177 /nfs/dbraw/zinc/48/71/77/411487177.db2.gz ONTRJSYBGIZXQW-ZIAGYGMSSA-N 2 0 242.407 1.667 20 0 BDADRP C[NH+](C)[C@H]1CCC[N@@H+]([C@@H]2COC(C)(C)C2)CC1 ZINC000660415161 411489016 /nfs/dbraw/zinc/48/90/16/411489016.db2.gz ALDRBSOLWOIQSS-STQMWFEESA-N 2 0 240.391 1.970 20 0 BDADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](C[C@H]1CCOC1)C2 ZINC000309474480 411497855 /nfs/dbraw/zinc/49/78/55/411497855.db2.gz UZVPBOPDRGVRCP-AGIUHOORSA-N 2 0 224.348 1.084 20 0 BDADRP c1cc(C[NH2+][C@H]2CCOC2)n(-c2cc[nH+]cc2)n1 ZINC000657414771 411499154 /nfs/dbraw/zinc/49/91/54/411499154.db2.gz BQVNPKSSDYDFGQ-NSHDSACASA-N 2 0 244.298 1.146 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCn3ccnc3C2)CO1 ZINC000657450106 411511567 /nfs/dbraw/zinc/51/15/67/411511567.db2.gz IMUIVGLNWIYYSQ-RWMBFGLXSA-N 2 0 249.358 1.603 20 0 BDADRP C[NH+](C)C1CC(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000655793042 411515978 /nfs/dbraw/zinc/51/59/78/411515978.db2.gz MWRRPUHGXOIQDX-RJZJGCCBSA-N 2 0 237.391 1.295 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c2nccn21 ZINC000655803877 411518604 /nfs/dbraw/zinc/51/86/04/411518604.db2.gz GWFRJLSBNHOUFF-NDBYEHHHSA-N 2 0 248.374 1.819 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805080 411519415 /nfs/dbraw/zinc/51/94/15/411519415.db2.gz BHFLNJOXQDUJOR-KKOKHZNYSA-N 2 0 214.353 1.340 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1CCOC1 ZINC000655805554 411519704 /nfs/dbraw/zinc/51/97/04/411519704.db2.gz PCOMVBGDMLRAAD-MQYQWHSLSA-N 2 0 240.391 1.731 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]1CCOC1 ZINC000655805551 411519819 /nfs/dbraw/zinc/51/98/19/411519819.db2.gz PCOMVBGDMLRAAD-FQUUOJAGSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]1CCOC1 ZINC000655805878 411520419 /nfs/dbraw/zinc/52/04/19/411520419.db2.gz MRRQPKFHFJPWSO-NDBYEHHHSA-N 2 0 226.364 1.341 20 0 BDADRP COCCC[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806437 411520434 /nfs/dbraw/zinc/52/04/34/411520434.db2.gz VTUIJRYGIMGPJC-UPJWGTAASA-N 2 0 228.380 1.731 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CCO1 ZINC000655805699 411520541 /nfs/dbraw/zinc/52/05/41/411520541.db2.gz RHMXXXMKBFZJEE-LPWJVIDDSA-N 2 0 226.364 1.484 20 0 BDADRP Cc1cn[nH]c1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655824790 411526729 /nfs/dbraw/zinc/52/67/29/411526729.db2.gz PSVDWHCAGVVVKX-PHIMTYICSA-N 2 0 222.336 1.148 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+]CC(C)(C)COC)C1 ZINC000309958763 170007961 /nfs/dbraw/zinc/00/79/61/170007961.db2.gz JXVRDEBPHZWFLC-LBPRGKRZSA-N 2 0 228.380 1.590 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cnccn2)[C@H](C)C1 ZINC000341887062 170011726 /nfs/dbraw/zinc/01/17/26/170011726.db2.gz KEFQGJDNPRKXLA-TZMCWYRMSA-N 2 0 248.374 1.339 20 0 BDADRP CC[N@@H+]1CC[C@H](CNC2CC[NH+](C)CC2)C1 ZINC000037484178 170015234 /nfs/dbraw/zinc/01/52/34/170015234.db2.gz RJRLWDIKSXCHEW-GFCCVEGCSA-N 2 0 225.380 1.012 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](COC)CC(C)C)C1 ZINC000360412254 170016966 /nfs/dbraw/zinc/01/69/66/170016966.db2.gz GAANYNLLNBBEQI-ZIAGYGMSSA-N 2 0 242.407 1.979 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CCC[C@@H](C)CO)[C@@H](C)C1 ZINC000358363860 170020777 /nfs/dbraw/zinc/02/07/77/170020777.db2.gz FDORNTSKASLCFH-RDBSUJKOSA-N 2 0 242.407 1.715 20 0 BDADRP CCN1C[C@@H](C)[C@@H]([NH2+]CCCC[NH+](C)C)C1 ZINC000309611724 170029275 /nfs/dbraw/zinc/02/92/75/170029275.db2.gz BOXNRXSZFDPWAI-OLZOCXBDSA-N 2 0 227.396 1.258 20 0 BDADRP CC[NH2+]CC1CC[NH+](Cc2ccccn2)CC1 ZINC000053658982 170111424 /nfs/dbraw/zinc/11/14/24/170111424.db2.gz UZHHBQSKMVSBHV-UHFFFAOYSA-N 2 0 233.359 1.903 20 0 BDADRP CC[C@H](CO)[N@H+](C)CCCc1cncn1C ZINC000314000487 411571728 /nfs/dbraw/zinc/57/17/28/411571728.db2.gz MATYZWSBKYGLPD-LLVKDONJSA-N 2 0 225.336 1.055 20 0 BDADRP CCOCCC[NH2+][C@@H]1CN(CC)C[C@H]1C ZINC000336748833 170382669 /nfs/dbraw/zinc/38/26/69/170382669.db2.gz CZPFOERDXULWCS-VXGBXAGGSA-N 2 0 214.353 1.343 20 0 BDADRP CO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657790099 411596740 /nfs/dbraw/zinc/59/67/40/411596740.db2.gz NCXKADLYMLIZFJ-XQHKEYJVSA-N 2 0 224.348 1.380 20 0 BDADRP C[NH+](C)CCC[NH2+][C@@H]1CCCSCC1 ZINC000657817220 411605853 /nfs/dbraw/zinc/60/58/53/411605853.db2.gz NDGABLJNLKWJNZ-LLVKDONJSA-N 2 0 216.394 1.813 20 0 BDADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@H]1CCOC1)C2 ZINC000660654866 411613564 /nfs/dbraw/zinc/61/35/64/411613564.db2.gz IQVSKNNCYPUUMY-KGLIPLIRSA-N 2 0 238.375 1.441 20 0 BDADRP COCC[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660653551 411613687 /nfs/dbraw/zinc/61/36/87/411613687.db2.gz SOUINCKWJJIEBF-GFCCVEGCSA-N 2 0 212.337 1.051 20 0 BDADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCn1ccnc1)C2 ZINC000660656862 411613829 /nfs/dbraw/zinc/61/38/29/411613829.db2.gz AHBDQCLMFNJUNH-AWEZNQCLSA-N 2 0 248.374 1.301 20 0 BDADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCCCO)C2 ZINC000660658322 411614111 /nfs/dbraw/zinc/61/41/11/411614111.db2.gz DVMAVOFNIMIOMD-CYBMUJFWSA-N 2 0 226.364 1.177 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@H]2CCCn3nccc32)CC1 ZINC000657871231 411614102 /nfs/dbraw/zinc/61/41/02/411614102.db2.gz IXCNFVWKQYABCD-ZDUSSCGKSA-N 2 0 248.374 1.649 20 0 BDADRP CC[C@@](C)(O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660662659 411616166 /nfs/dbraw/zinc/61/61/66/411616166.db2.gz KNHNZHFDAVSFAH-ZIAGYGMSSA-N 2 0 240.391 1.565 20 0 BDADRP OC1CC[NH+](CCCNc2ccccn2)CC1 ZINC000663401253 411649650 /nfs/dbraw/zinc/64/96/50/411649650.db2.gz HFOBXZBVHCXPFK-UHFFFAOYSA-N 2 0 235.331 1.340 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC[C@]23C[C@H]2C[NH2+]C3)cc1 ZINC000663495071 411674622 /nfs/dbraw/zinc/67/46/22/411674622.db2.gz VAXWCWMROLYBEL-VHRBIJSZSA-N 2 0 231.343 1.728 20 0 BDADRP C[C@H]1CCC[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC000663497319 411679531 /nfs/dbraw/zinc/67/95/31/411679531.db2.gz DQZCBHCEGQCUHQ-GMKTYKIGSA-N 2 0 208.349 1.907 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CCCSC1 ZINC000663498687 411680666 /nfs/dbraw/zinc/68/06/66/411680666.db2.gz DAYVCADQXZPUIL-WDEREUQCSA-N 2 0 216.394 1.845 20 0 BDADRP CC[N@@H+]1CC[C@@H](NCC23CC(C2)C[NH2+]3)[C@H](C)C1 ZINC000663498250 411682404 /nfs/dbraw/zinc/68/24/04/411682404.db2.gz NXDMDXKDDZTBPX-NELGMTEASA-N 2 0 237.391 1.058 20 0 BDADRP CC[C@H](COC)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000663501662 411686314 /nfs/dbraw/zinc/68/63/14/411686314.db2.gz BEEAZZMPZYVFPQ-GHMZBOCLSA-N 2 0 202.342 1.374 20 0 BDADRP C[N@H+](CC1=CCSC1)C[C@@]1(C)CC[NH2+]C1 ZINC000663506650 411690879 /nfs/dbraw/zinc/69/08/79/411690879.db2.gz MQPMGCZKCVODRW-LBPRGKRZSA-N 2 0 226.389 1.591 20 0 BDADRP Cn1cncc1CC[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000661173004 411728586 /nfs/dbraw/zinc/72/85/86/411728586.db2.gz VUWLLBGZNIKCEP-AWEZNQCLSA-N 2 0 249.358 1.464 20 0 BDADRP CCC(C)(C)[C@@H](C)[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000661231417 411734294 /nfs/dbraw/zinc/73/42/94/411734294.db2.gz MMYQEDDOLROBRS-YPMHNXCESA-N 2 0 242.407 1.856 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CCF)C1 ZINC000661690566 411832773 /nfs/dbraw/zinc/83/27/73/411832773.db2.gz RQWQTWFMACCHSY-STQMWFEESA-N 2 0 246.370 1.371 20 0 BDADRP CC[C@@H](C)[C@@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000336675550 170772706 /nfs/dbraw/zinc/77/27/06/170772706.db2.gz BLGWDHVWHRUMKX-VXGBXAGGSA-N 2 0 228.380 1.467 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000661831615 411895004 /nfs/dbraw/zinc/89/50/04/411895004.db2.gz PNQNALSADURFHQ-FRRDWIJNSA-N 2 0 238.375 1.364 20 0 BDADRP CC[C@H](C)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662152700 412009722 /nfs/dbraw/zinc/00/97/22/412009722.db2.gz XVSRAHBGBLTJPG-AAEUAGOBSA-N 2 0 226.364 1.316 20 0 BDADRP CCC[N@H+](C)CC(C)(C)NC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000664719743 412015038 /nfs/dbraw/zinc/01/50/38/412015038.db2.gz XIBFCXCAAVQYNY-GHMZBOCLSA-N 2 0 243.395 1.206 20 0 BDADRP CCO[C@@H]1CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000219861855 411946307 /nfs/dbraw/zinc/94/63/07/411946307.db2.gz QVLZIAVJODMHJS-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP CCC[N@H+](CC)CCNC(=O)[C@H]([NH3+])CC(C)C ZINC000220043803 412029512 /nfs/dbraw/zinc/02/95/12/412029512.db2.gz NCHATSLYTYTWDX-GFCCVEGCSA-N 2 0 243.395 1.208 20 0 BDADRP [NH3+]CC1CC[NH+](CCO[C@@H]2CC2(F)F)CC1 ZINC000662234213 412031807 /nfs/dbraw/zinc/03/18/07/412031807.db2.gz JXNKVONVDKCVNG-SNVBAGLBSA-N 2 0 234.290 1.081 20 0 BDADRP CO[C@@H](C[N@H+](C)CCC[NH3+])C1CCCCC1 ZINC000662244670 412041818 /nfs/dbraw/zinc/04/18/18/412041818.db2.gz JLSLXQBZIGFICQ-ZDUSSCGKSA-N 2 0 228.380 1.862 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662246241 412043205 /nfs/dbraw/zinc/04/32/05/412043205.db2.gz RSURAQHYLQSMEO-YVECIDJPSA-N 2 0 208.349 1.716 20 0 BDADRP C[NH2+]C[C@@H]1CCCN1C[C@H](OC)C1CCCC1 ZINC000662247398 412044904 /nfs/dbraw/zinc/04/49/04/412044904.db2.gz ZWBLCPQIODNCFR-KBPBESRZSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]1CN(Cc2cccc3c2CC[NH2+]C3)CC[NH2+]1 ZINC000662247080 412045115 /nfs/dbraw/zinc/04/51/15/412045115.db2.gz YPYKZTNSBOWGKT-LBPRGKRZSA-N 2 0 245.370 1.126 20 0 BDADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249402 412046390 /nfs/dbraw/zinc/04/63/90/412046390.db2.gz MDJWWBMLZNMSSF-VXGBXAGGSA-N 2 0 224.348 1.382 20 0 BDADRP C[C@@H](O)CC[N@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000662255721 412051521 /nfs/dbraw/zinc/05/15/21/412051521.db2.gz QZDDKVJPNCGIFC-GFCCVEGCSA-N 2 0 248.370 1.535 20 0 BDADRP CC[C@@H](C)C[N@H+](CC)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662258858 412053044 /nfs/dbraw/zinc/05/30/44/412053044.db2.gz MWMPVPJOELXIFE-CHWSQXEVSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1cc(CN(C)C2CC([NH3+])C2)nc(C)n1 ZINC000662272041 412062768 /nfs/dbraw/zinc/06/27/68/412062768.db2.gz BTWFNFXGXSHNGE-UHFFFAOYSA-N 2 0 220.320 1.015 20 0 BDADRP Cc1nocc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000662274182 412065353 /nfs/dbraw/zinc/06/53/53/412065353.db2.gz FRIGSJGWLJUDAZ-AWEZNQCLSA-N 2 0 249.358 1.947 20 0 BDADRP CC[C@@H]1C[C@H](C[N@@H+]2CCC[C@H]([NH3+])C2)CCO1 ZINC000346083260 171128363 /nfs/dbraw/zinc/12/83/63/171128363.db2.gz QSUKYNCTVXFONZ-FRRDWIJNSA-N 2 0 226.364 1.615 20 0 BDADRP CCC[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662279061 412071493 /nfs/dbraw/zinc/07/14/93/412071493.db2.gz FKGDUHNVEMCOHB-LBPRGKRZSA-N 2 0 224.348 1.382 20 0 BDADRP COC[C@H](C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+])OC ZINC000662285312 412076640 /nfs/dbraw/zinc/07/66/40/412076640.db2.gz JJFNYFSUVPYCRL-FRRDWIJNSA-N 2 0 244.379 1.097 20 0 BDADRP OCC1([NH2+]CCCc2ccccc2)CC[NH2+]CC1 ZINC000662285635 412077470 /nfs/dbraw/zinc/07/74/70/412077470.db2.gz IQMDMQVFHBIYPE-UHFFFAOYSA-N 2 0 248.370 1.323 20 0 BDADRP Cc1nocc1C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000662285510 412077517 /nfs/dbraw/zinc/07/75/17/412077517.db2.gz KRQJDIQJWJHVEI-MFKMUULPSA-N 2 0 237.347 1.932 20 0 BDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](CC)[NH+](C)C ZINC000126514980 171228591 /nfs/dbraw/zinc/22/85/91/171228591.db2.gz CXDNQKBAEVVXLY-VXGBXAGGSA-N 2 0 243.395 1.173 20 0 BDADRP CC[C@H](C(=O)N[C@@H](C)C[NH+](C)C)[NH+](CC)CC ZINC000346168577 171232204 /nfs/dbraw/zinc/23/22/04/171232204.db2.gz UARYRCQCCIBUIT-NWDGAFQWSA-N 2 0 243.395 1.173 20 0 BDADRP Cc1nocc1C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000662282021 412073219 /nfs/dbraw/zinc/07/32/19/412073219.db2.gz AWPAPMDOVPLYSE-NSHDSACASA-N 2 0 249.358 1.947 20 0 BDADRP COc1ccc(C[N@H+](C)CC[C@@H]2CC[NH2+]C2)cn1 ZINC000662297063 412084151 /nfs/dbraw/zinc/08/41/51/412084151.db2.gz ZDOFTMPEOSUSAQ-LBPRGKRZSA-N 2 0 249.358 1.522 20 0 BDADRP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc(C[NH3+])cc1 ZINC000169816525 171396139 /nfs/dbraw/zinc/39/61/39/171396139.db2.gz HGINXKRJLBWJHS-CABZTGNLSA-N 2 0 235.331 1.457 20 0 BDADRP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000236921994 171396503 /nfs/dbraw/zinc/39/65/03/171396503.db2.gz QGVUFAYQTURSRV-GWCFXTLKSA-N 2 0 249.358 1.718 20 0 BDADRP OCC[C@H]1CCCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000662299429 412086756 /nfs/dbraw/zinc/08/67/56/412086756.db2.gz PNVFHRKASWUYNT-UONOGXRCSA-N 2 0 240.391 1.613 20 0 BDADRP C[NH+](C)CCC[C@H]1C[N@H+](CCCF)CCO1 ZINC000662318900 412086905 /nfs/dbraw/zinc/08/69/05/412086905.db2.gz AQXJAZCJXJPUTN-LBPRGKRZSA-N 2 0 232.343 1.389 20 0 BDADRP C[NH+](C)CCC[C@@H]1C[N@H+](CCCF)CCO1 ZINC000662318899 412086961 /nfs/dbraw/zinc/08/69/61/412086961.db2.gz AQXJAZCJXJPUTN-GFCCVEGCSA-N 2 0 232.343 1.389 20 0 BDADRP C[C@@]12COC[C@]1(C)C[N@@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000662302667 412088896 /nfs/dbraw/zinc/08/88/96/412088896.db2.gz NWKXGHGYKGUXDA-MELADBBJSA-N 2 0 238.375 1.344 20 0 BDADRP C[NH2+]CCCN1c2ccccc2CC[C@H]1C[NH3+] ZINC000662304062 412089198 /nfs/dbraw/zinc/08/91/98/412089198.db2.gz DWJQPAHQQGGXTF-ZDUSSCGKSA-N 2 0 233.359 1.376 20 0 BDADRP C[C@@]12COC[C@]1(C)C[N@@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000662302665 412089288 /nfs/dbraw/zinc/08/92/88/412089288.db2.gz NWKXGHGYKGUXDA-MCIONIFRSA-N 2 0 238.375 1.344 20 0 BDADRP CCCC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321465 412101127 /nfs/dbraw/zinc/10/11/27/412101127.db2.gz ISESZOOGBPVFQG-CYBMUJFWSA-N 2 0 228.380 1.829 20 0 BDADRP CC[C@H](CCO)[NH2+][C@@H](C)CCCC[NH3+] ZINC000308540732 171428173 /nfs/dbraw/zinc/42/81/73/171428173.db2.gz NWBDLFWQPUCKOJ-WDEREUQCSA-N 2 0 202.342 1.255 20 0 BDADRP CC(C)(C)[N@@H+]1CC[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000665236553 412176909 /nfs/dbraw/zinc/17/69/09/412176909.db2.gz PBTGLNOITCSGRK-UPJWGTAASA-N 2 0 239.407 1.719 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000665236631 412177154 /nfs/dbraw/zinc/17/71/54/412177154.db2.gz QXFRTRHUONGNBT-JHJVBQTASA-N 2 0 239.407 1.447 20 0 BDADRP CC(C)(C)[N@@H+]1CC[C@H](N[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000665236747 412177182 /nfs/dbraw/zinc/17/71/82/412177182.db2.gz SSXZJOXHKBCWBI-AGIUHOORSA-N 2 0 239.407 1.576 20 0 BDADRP CC(C)(C)[N@@H+]1CC[C@H](N[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000665236816 412177189 /nfs/dbraw/zinc/17/71/89/412177189.db2.gz VCMIFKSZCQVIIO-QJPTWQEYSA-N 2 0 225.380 1.329 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCO[C@H]1CC1(F)F ZINC000665244104 412187109 /nfs/dbraw/zinc/18/71/09/412187109.db2.gz GHKORFPYRRPIRF-CIUDSAMLSA-N 2 0 222.279 1.126 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@@H](CC)[C@@H]2CCC[NH2+]2)C1 ZINC000665273862 412215666 /nfs/dbraw/zinc/21/56/66/412215666.db2.gz FVMIYVUEDBIGAR-IHRRRGAJSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@H]([NH2+]CC1([NH3+])CCCC1)C1CCOCC1 ZINC000665248919 412195332 /nfs/dbraw/zinc/19/53/32/412195332.db2.gz FVWMPJUDNDUFIA-NSHDSACASA-N 2 0 226.364 1.663 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCc2ccoc2)C1 ZINC000665263036 412206030 /nfs/dbraw/zinc/20/60/30/412206030.db2.gz DYSCCHFNNDZACW-RYUDHWBXSA-N 2 0 208.305 1.682 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]2C[C@H]21)C1C[NH2+]C1 ZINC000665263914 412207677 /nfs/dbraw/zinc/20/76/77/412207677.db2.gz XZSSEPYCTDYYDM-MRBYEJRBSA-N 2 0 208.349 1.620 20 0 BDADRP C[C@H]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)O1 ZINC000665265061 412209098 /nfs/dbraw/zinc/20/90/98/412209098.db2.gz OMRKNQAYRKSCJI-MWWBDVBNSA-N 2 0 238.375 1.817 20 0 BDADRP CC[C@@H]([NH2+]C)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000662399088 412147573 /nfs/dbraw/zinc/14/75/73/412147573.db2.gz GJNMWHMLJPGQQG-GFCCVEGCSA-N 2 0 235.331 1.343 20 0 BDADRP CC[NH2+]CCCNC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000662399986 412149052 /nfs/dbraw/zinc/14/90/52/412149052.db2.gz XYFFCAHPGJLJSO-LBPRGKRZSA-N 2 0 243.395 1.113 20 0 BDADRP Nc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000665272941 412213618 /nfs/dbraw/zinc/21/36/18/412213618.db2.gz NUJMXLDEZHPHBN-NILFDRSVSA-N 2 0 245.370 1.973 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662425956 412165096 /nfs/dbraw/zinc/16/50/96/412165096.db2.gz PMUPEZOIQKDVAI-JTQLQIEISA-N 2 0 241.379 1.008 20 0 BDADRP CC[C@H]([NH2+]CCC1CC(OC)C1)[C@@H]1CCC[NH2+]1 ZINC000665230866 412167251 /nfs/dbraw/zinc/16/72/51/412167251.db2.gz XIBSEOSEFMCFBS-HOAMVYINSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000662430927 412168204 /nfs/dbraw/zinc/16/82/04/412168204.db2.gz WZANZPXKLNVIJS-OASPWFOLSA-N 2 0 247.342 1.060 20 0 BDADRP COC[C@H](CC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)OC ZINC000665235014 412174383 /nfs/dbraw/zinc/17/43/83/412174383.db2.gz OEOACJZHYGZLNX-FRRDWIJNSA-N 2 0 244.379 1.158 20 0 BDADRP CC[C@H]([NH2+]C)C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000662672848 412265710 /nfs/dbraw/zinc/26/57/10/412265710.db2.gz GEFYQPTVKRFFBM-NEPJUHHUSA-N 2 0 243.395 1.077 20 0 BDADRP CCC[N@@H+]1CC[C@@H](N[C@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000665274304 412217883 /nfs/dbraw/zinc/21/78/83/412217883.db2.gz NEFRJFHHLQVUGP-MGPQQGTHSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1=CCCC1 ZINC000665274874 412218105 /nfs/dbraw/zinc/21/81/05/412218105.db2.gz ZVRJHZYWNRTXNV-DRZSPHRISA-N 2 0 224.348 1.439 20 0 BDADRP CC[C@H]([NH3+])CNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662565610 412221216 /nfs/dbraw/zinc/22/12/16/412221216.db2.gz DRDWNWMHKJRWAO-WCQYABFASA-N 2 0 247.342 1.075 20 0 BDADRP C[NH2+]C[C@H](C)N[C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000665298861 412248042 /nfs/dbraw/zinc/24/80/42/412248042.db2.gz AZQNPOSRGJMPMJ-SGMGOOAPSA-N 2 0 235.375 1.142 20 0 BDADRP C[C@H](CCNC(=O)c1ccc(C[NH3+])cc1)[NH+](C)C ZINC000662634817 412251604 /nfs/dbraw/zinc/25/16/04/412251604.db2.gz SKQBZJBOFXCLBI-LLVKDONJSA-N 2 0 249.358 1.215 20 0 BDADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CC(C)(C)[NH3+] ZINC000662845502 412320080 /nfs/dbraw/zinc/32/00/80/412320080.db2.gz SXOQHBKYERBFNM-QWRGUYRKSA-N 2 0 241.379 1.055 20 0 BDADRP Nc1ncnc(NC[C@H]2CCC[NH2+]C2)c1Cl ZINC000519635954 412302754 /nfs/dbraw/zinc/30/27/54/412302754.db2.gz ZVIBFGJEZHWSFU-ZETCQYMHSA-N 2 0 241.726 1.124 20 0 BDADRP CCc1noc(C)c1CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000335907069 172076958 /nfs/dbraw/zinc/07/69/58/172076958.db2.gz JCARGDZHIQMGKI-BXUZGUMPSA-N 2 0 249.358 1.729 20 0 BDADRP CCc1nocc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000339241611 172098477 /nfs/dbraw/zinc/09/84/77/172098477.db2.gz WQXLAZYLVGQWFZ-UHFFFAOYSA-N 2 0 237.347 1.668 20 0 BDADRP CCn1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cn1 ZINC000228544610 172167485 /nfs/dbraw/zinc/16/74/85/172167485.db2.gz CJBOWHNMVTVDFL-BFHYXJOUSA-N 2 0 248.374 1.462 20 0 BDADRP CCn1cc([C@@H](C)[NH2+]C2CCC([NH3+])CC2)cn1 ZINC000051694622 172193483 /nfs/dbraw/zinc/19/34/83/172193483.db2.gz UPLXAQFUYJLKOZ-QFWMXSHPSA-N 2 0 236.363 1.824 20 0 BDADRP C[NH+](C)CCC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000124140324 172426595 /nfs/dbraw/zinc/42/65/95/172426595.db2.gz AQWGEYYXIOTBDD-CQSZACIVSA-N 2 0 240.391 1.829 20 0 BDADRP C[NH+](C)CCC[NH2+]C1Cc2ccccc2C1 ZINC000035657938 172439128 /nfs/dbraw/zinc/43/91/28/172439128.db2.gz RGYUJOJKLQDQJZ-UHFFFAOYSA-N 2 0 218.344 1.695 20 0 BDADRP C[NH+](C)[C@H]1CCN(C[C@H]([NH3+])Cc2ccccc2)C1 ZINC000104177331 172540697 /nfs/dbraw/zinc/54/06/97/172540697.db2.gz WAQHVWRUMXYSCB-CABCVRRESA-N 2 0 247.386 1.192 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(C)(O)CC1 ZINC000126891858 173004985 /nfs/dbraw/zinc/00/49/85/173004985.db2.gz WGGVFEUMAWLRLT-CYBMUJFWSA-N 2 0 240.391 1.708 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc(O)cc2)CC1 ZINC000076681109 173020557 /nfs/dbraw/zinc/02/05/57/173020557.db2.gz IGBKOGRCHLVLBU-CYBMUJFWSA-N 2 0 234.343 1.966 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CCN1CC[C@@H](F)C1 ZINC000336262588 173028679 /nfs/dbraw/zinc/02/86/79/173028679.db2.gz DHVRVRPEYZXFBR-GHMZBOCLSA-N 2 0 200.301 1.515 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@](C)(O)CC1 ZINC000336543063 173029156 /nfs/dbraw/zinc/02/91/56/173029156.db2.gz FMLQYTZQVRCBPA-KGLIPLIRSA-N 2 0 240.391 1.708 20 0 BDADRP C[N@H+](CC[C@H]1CCC[NH+]1C)[C@@H](CO)C(C)(C)C ZINC000305704662 173029360 /nfs/dbraw/zinc/02/93/60/173029360.db2.gz XQIIPCANZNQTKP-OLZOCXBDSA-N 2 0 242.407 1.810 20 0 BDADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(C)(C)O)CC[C@H]21 ZINC000129155682 173036953 /nfs/dbraw/zinc/03/69/53/173036953.db2.gz MIVWTGCJAXXQQG-CHWSQXEVSA-N 2 0 240.391 1.564 20 0 BDADRP C[N@H+](C[C@H]1CCC[NH+](C)C1)CC1(O)CCC1 ZINC000336669909 173039324 /nfs/dbraw/zinc/03/93/24/173039324.db2.gz ICZDWTGUOHEESJ-LBPRGKRZSA-N 2 0 226.364 1.175 20 0 BDADRP CN1CCC[C@H]([NH2+]C[C@@H]2CCCCN2C)C1 ZINC000054243461 173046113 /nfs/dbraw/zinc/04/61/13/173046113.db2.gz YWBQLVLZSVYPCZ-STQMWFEESA-N 2 0 225.380 1.155 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1CCO ZINC000336680736 173050978 /nfs/dbraw/zinc/05/09/78/173050978.db2.gz XQQZGXYBGQFKEC-QWHCGFSZSA-N 2 0 226.364 1.318 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+](CC3(C)COC3)C2)C1 ZINC000336664946 173138253 /nfs/dbraw/zinc/13/82/53/173138253.db2.gz LFEIXCQUTPITFK-CYBMUJFWSA-N 2 0 224.348 1.051 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CCC(C)(C)O)[C@@H]2CCC[C@@H]21 ZINC000368610818 173152995 /nfs/dbraw/zinc/15/29/95/173152995.db2.gz BCXLDEHXOPVXJH-AVGNSLFASA-N 2 0 240.391 1.610 20 0 BDADRP Cn1cncc1C[NH2+][C@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000377796824 173154291 /nfs/dbraw/zinc/15/42/91/173154291.db2.gz VHXVJUVSOPUCBN-MELADBBJSA-N 2 0 248.374 1.383 20 0 BDADRP C[N@@H+]1CC[C@](O)(CNC/C=C\c2ccccc2)C1 ZINC000358170499 173165799 /nfs/dbraw/zinc/16/57/99/173165799.db2.gz RIUHHFWKWDAMRZ-KKTNHOPESA-N 2 0 246.354 1.356 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+](CCCCF)C2)C1 ZINC000367847878 173167432 /nfs/dbraw/zinc/16/74/32/173167432.db2.gz RIEFSEKWSAENRT-LBPRGKRZSA-N 2 0 214.328 1.764 20 0 BDADRP C[NH2+]CC1CC[NH+](Cc2ccccn2)CC1 ZINC000051756202 173338353 /nfs/dbraw/zinc/33/83/53/173338353.db2.gz XPHYVFHZKFZQJA-UHFFFAOYSA-N 2 0 219.332 1.513 20 0 BDADRP C[NH2+]CC1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000063159036 173338788 /nfs/dbraw/zinc/33/87/88/173338788.db2.gz TXBDLPBVNCDASL-UHFFFAOYSA-N 2 0 234.343 1.824 20 0 BDADRP C[NH2+]CCC[N@H+](C)CCc1ccc2c(c1)CCO2 ZINC000124913964 173345773 /nfs/dbraw/zinc/34/57/73/173345773.db2.gz KOQHCABGKZBSIG-UHFFFAOYSA-N 2 0 248.370 1.705 20 0 BDADRP C[NH2+]CCC[N@H+](C)CCCOC(C)C ZINC000336662870 173345910 /nfs/dbraw/zinc/34/59/10/173345910.db2.gz CIVOCRZUGZIMRU-UHFFFAOYSA-N 2 0 202.342 1.343 20 0 BDADRP C[NH2+]CCCN1C[C@@H](C[NH3+])[C@@H](c2ccccc2)C1 ZINC000337081693 173346693 /nfs/dbraw/zinc/34/66/93/173346693.db2.gz WNEXRCOPAJZGET-HUUCEWRRSA-N 2 0 247.386 1.270 20 0 BDADRP C[NH2+]CCCNC(=O)CC1(C[NH3+])CCCCC1 ZINC000083369809 173346731 /nfs/dbraw/zinc/34/67/31/173346731.db2.gz CAPYQMVECKGBNN-UHFFFAOYSA-N 2 0 241.379 1.011 20 0 BDADRP C[NH2+]CCCN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000337081690 173347197 /nfs/dbraw/zinc/34/71/97/173347197.db2.gz WNEXRCOPAJZGET-CABCVRRESA-N 2 0 247.386 1.270 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000040600032 173367605 /nfs/dbraw/zinc/36/76/05/173367605.db2.gz RZYKXPUNUNYHDL-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000011891980 173371264 /nfs/dbraw/zinc/37/12/64/173371264.db2.gz WAIOZZUVVFJNJE-AWEZNQCLSA-N 2 0 218.344 1.770 20 0 BDADRP C[NH2+]C[C@H]1CCCN1CCC1CC[NH2+]CC1 ZINC000359207432 173379909 /nfs/dbraw/zinc/37/99/09/173379909.db2.gz BBCOEAQWAWAVKA-CYBMUJFWSA-N 3 0 225.380 1.060 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC000237232247 173389788 /nfs/dbraw/zinc/38/97/88/173389788.db2.gz BKWFGDTVWZDENC-NWDGAFQWSA-N 2 0 247.342 1.472 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)[C@@]2(C)CC[NH2+]C2)c1 ZINC000296319250 173389796 /nfs/dbraw/zinc/38/97/96/173389796.db2.gz HANSMHSDQSFRKI-AWEZNQCLSA-N 2 0 247.342 1.344 20 0 BDADRP COC1CC([NH2+]CC(C)(C)C[NH+]2CCCC2)C1 ZINC000361645792 174017621 /nfs/dbraw/zinc/01/76/21/174017621.db2.gz FKLRRUSVNZHLSQ-UHFFFAOYSA-N 2 0 240.391 1.875 20 0 BDADRP COCC(C)(C)C[NH2+]CCC[N@H+](C)C(C)C ZINC000336761111 174071984 /nfs/dbraw/zinc/07/19/84/174071984.db2.gz KFKMQBUVQBZDDY-UHFFFAOYSA-N 2 0 230.396 1.979 20 0 BDADRP COCC(C)(C)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000310258621 174076337 /nfs/dbraw/zinc/07/63/37/174076337.db2.gz HFJXDEHSPMXQGB-STQMWFEESA-N 2 0 240.391 1.875 20 0 BDADRP COCC1(C[NH2+]C(C)C)CC[NH2+]CC1 ZINC000234619433 174102634 /nfs/dbraw/zinc/10/26/34/174102634.db2.gz SHSBMGLRHWDWAM-UHFFFAOYSA-N 2 0 200.326 1.001 20 0 BDADRP COCC1(C[NH2+]CC2(C)CCC2)CC[NH2+]CC1 ZINC000234711096 174104000 /nfs/dbraw/zinc/10/40/00/174104000.db2.gz HLRWTWPQMCKXOI-UHFFFAOYSA-N 2 0 240.391 1.782 20 0 BDADRP COCC1(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)CCC1 ZINC000336724591 174106320 /nfs/dbraw/zinc/10/63/20/174106320.db2.gz UQMYYHYCEIGENW-OLZOCXBDSA-N 2 0 240.391 1.733 20 0 BDADRP COCC1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000070081113 174121197 /nfs/dbraw/zinc/12/11/97/174121197.db2.gz KVPRWASZURRKSW-ZDUSSCGKSA-N 2 0 240.391 1.735 20 0 BDADRP COCCC(C)(C)C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000234691470 174143139 /nfs/dbraw/zinc/14/31/39/174143139.db2.gz CLANIFQQQCRZFA-NEPJUHHUSA-N 2 0 228.380 1.766 20 0 BDADRP COCCC[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000300929711 174250811 /nfs/dbraw/zinc/25/08/11/174250811.db2.gz ZQVHLQVCIVAABO-SNVBAGLBSA-N 2 0 200.326 1.001 20 0 BDADRP COCC[NH2+]CCNc1cc[nH+]c(C)c1 ZINC000229577354 174333807 /nfs/dbraw/zinc/33/38/07/174333807.db2.gz JQMMAGJMOQAZRM-UHFFFAOYSA-N 2 0 209.293 1.038 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]Cc1cc(C)cs1 ZINC000344643965 174562301 /nfs/dbraw/zinc/56/23/01/174562301.db2.gz RWOQEHVMFBHTEJ-NSHDSACASA-N 2 0 242.388 1.900 20 0 BDADRP CO[C@H](C)CC[NH2+][C@@H](C)CCCC[NH3+] ZINC000336644961 174816366 /nfs/dbraw/zinc/81/63/66/174816366.db2.gz BCXKEYVUBZQSTP-WDEREUQCSA-N 2 0 202.342 1.519 20 0 BDADRP COc1ccc(CC[NH2+][C@@H](C)CCC[NH3+])cc1 ZINC000310285562 175091323 /nfs/dbraw/zinc/09/13/23/175091323.db2.gz QKOONUZIXFMNOA-LBPRGKRZSA-N 2 0 236.359 1.955 20 0 BDADRP COc1ccc(OCC[NH2+]CCC[NH3+])cc1 ZINC000041620024 175172683 /nfs/dbraw/zinc/17/26/83/175172683.db2.gz CJZJMLKIWPJPOF-UHFFFAOYSA-N 2 0 224.304 1.012 20 0 BDADRP COc1cccc(CC[NH2+][C@H]2CCN(C)C2)c1 ZINC000076681123 175252721 /nfs/dbraw/zinc/25/27/21/175252721.db2.gz NQGNXJVMAQLWIX-ZDUSSCGKSA-N 2 0 234.343 1.531 20 0 BDADRP COc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)C[NH3+] ZINC000309387030 175344186 /nfs/dbraw/zinc/34/41/86/175344186.db2.gz SGTRNJONQCYWNA-WDEREUQCSA-N 2 0 222.332 1.941 20 0 BDADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC[C@@H]1CCCO1)C2 ZINC000383505829 487631493 /nfs/dbraw/zinc/63/14/93/487631493.db2.gz FXPWIPXIXAXWSH-IHRRRGAJSA-N 2 0 238.375 1.616 20 0 BDADRP C[C@@H](c1ccccn1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000035694858 176028363 /nfs/dbraw/zinc/02/83/63/176028363.db2.gz CCRHYKVWDFJYEC-WDEREUQCSA-N 2 0 205.305 1.423 20 0 BDADRP C[C@@H]1CCCC[C@H]1[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000309761059 176088795 /nfs/dbraw/zinc/08/87/95/176088795.db2.gz ISYGMNCGHQAWDR-UPJWGTAASA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+]C2CCC([NH3+])CC2)O1 ZINC000148675602 176226834 /nfs/dbraw/zinc/22/68/34/176226834.db2.gz STTZQZWGJFOWOJ-HBIQZDMRSA-N 2 0 212.337 1.413 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@](C)(O)C1CC1 ZINC000309829442 176268282 /nfs/dbraw/zinc/26/82/82/176268282.db2.gz YDRFRUJSRMMOSU-KGYLQXTDSA-N 2 0 226.364 1.077 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCOC1CCCC1 ZINC000358084156 176268539 /nfs/dbraw/zinc/26/85/39/176268539.db2.gz LTEZZFDOOOEACO-OCCSQVGLSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000336781328 176269212 /nfs/dbraw/zinc/26/92/12/176269212.db2.gz UJKXKOLGFDOWOF-UPJWGTAASA-N 2 0 226.364 1.343 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC1=CCCOC1 ZINC000348222941 176279355 /nfs/dbraw/zinc/27/93/55/176279355.db2.gz WSLQDOZHSFCYCA-YRGRVCCFSA-N 2 0 238.375 1.651 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1cnccn1 ZINC000341901524 176279369 /nfs/dbraw/zinc/27/93/69/176279369.db2.gz YWNSGEWQDQZGNX-YRGRVCCFSA-N 2 0 248.374 1.337 20 0 BDADRP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)[C@H](C)CO1 ZINC000035787519 176286430 /nfs/dbraw/zinc/28/64/30/176286430.db2.gz ONCCOLGQBLIQFL-GHMZBOCLSA-N 2 0 212.337 1.095 20 0 BDADRP C[C@@H]1C[N@H+](CCCCCCC[NH3+])CCO1 ZINC000020072101 176288664 /nfs/dbraw/zinc/28/86/64/176288664.db2.gz LIKYVPSLDLFRKA-GFCCVEGCSA-N 2 0 214.353 1.616 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)C[C@H]1O ZINC000351796631 176292465 /nfs/dbraw/zinc/29/24/65/176292465.db2.gz XTCZTOKQNDFKMQ-FRRDWIJNSA-N 2 0 226.364 1.173 20 0 BDADRP C[C@@H]1C[N@H+](CCOCC2CC2)CC[C@@H]1[NH3+] ZINC000226422260 176292494 /nfs/dbraw/zinc/29/24/94/176292494.db2.gz RWINLFFEMSWNCZ-PWSUYJOCSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCOC2)CC[C@@H]1[NH3+] ZINC000044982036 176297865 /nfs/dbraw/zinc/29/78/65/176297865.db2.gz XLLLBAVUSWFOFR-WOPDTQHZSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1 ZINC000073655442 176327683 /nfs/dbraw/zinc/32/76/83/176327683.db2.gz CLPZCFXGDJOALG-YPMHNXCESA-N 2 0 204.317 1.774 20 0 BDADRP C[C@@H]1C[C@@H](N(C)C[C@@H]2CCC[NH2+]C2)CC[N@@H+]1C ZINC000226439702 176370766 /nfs/dbraw/zinc/37/07/66/176370766.db2.gz GFRGGDJNIFQADD-MCIONIFRSA-N 3 0 239.407 1.401 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)c2nccn21 ZINC000345364585 176374726 /nfs/dbraw/zinc/37/47/26/176374726.db2.gz XTBTYIRRKSQQEO-VXGBXAGGSA-N 2 0 236.363 1.820 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H](O)CC(C)(C)C ZINC000308973053 176620537 /nfs/dbraw/zinc/62/05/37/176620537.db2.gz AZUMODOTZWGJNT-MNOVXSKESA-N 2 0 216.369 1.501 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@@H]1C[NH3+])c1cn[nH]c1 ZINC000229636982 176921786 /nfs/dbraw/zinc/92/17/86/176921786.db2.gz NWBHHQBEVWIGSB-NGZCFLSTSA-N 2 0 208.309 1.188 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000331928315 177001216 /nfs/dbraw/zinc/00/12/16/177001216.db2.gz HIHPMLLRVYVKAJ-BJDJZHNGSA-N 2 0 214.353 1.395 20 0 BDADRP C[C@H](c1ccccn1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527870 177043730 /nfs/dbraw/zinc/04/37/30/177043730.db2.gz VBWYLAFWDFPCCZ-VXGBXAGGSA-N 2 0 219.332 1.813 20 0 BDADRP C[C@H]1CC([NH2+]C[C@](C)(O)C[NH+](C)C)C[C@H](C)C1 ZINC000300408432 177065138 /nfs/dbraw/zinc/06/51/38/177065138.db2.gz ILZNGVSOAZAIHE-BZPMIXESSA-N 2 0 242.407 1.713 20 0 BDADRP C[C@H]1CCOCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000375003018 177177711 /nfs/dbraw/zinc/17/77/11/177177711.db2.gz DWUCKKNLAWQXKB-QWHCGFSZSA-N 2 0 226.364 1.582 20 0 BDADRP C[C@@H]1CN(CC[C@@H]2CCC[N@@H+]2C)C[C@H](C)[NH+]1C ZINC000336895414 177255022 /nfs/dbraw/zinc/25/50/22/177255022.db2.gz YTMXSEOBRQHTEK-MJBXVCDLSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccccc1 ZINC000073655451 177284695 /nfs/dbraw/zinc/28/46/95/177284695.db2.gz CLPZCFXGDJOALG-WCQYABFASA-N 2 0 204.317 1.774 20 0 BDADRP C[C@H]1CSCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000069762444 177305222 /nfs/dbraw/zinc/30/52/22/177305222.db2.gz JNUARDYALBMLTG-NSHDSACASA-N 2 0 228.405 1.813 20 0 BDADRP C[C@H]1CSC[C@@H]1[NH2+]CCC[NH+](C)C ZINC000336643656 177306387 /nfs/dbraw/zinc/30/63/87/177306387.db2.gz JWVJLLLTJUTUSF-UWVGGRQHSA-N 2 0 202.367 1.279 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C[C@](C)(O)C[NH+](C)C)C[C@@H](C)C1 ZINC000300408433 177317896 /nfs/dbraw/zinc/31/78/96/177317896.db2.gz ILZNGVSOAZAIHE-DGAVXFQQSA-N 2 0 242.407 1.713 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCCCF)CC[N@@H+]1C ZINC000308475507 177331486 /nfs/dbraw/zinc/33/14/86/177331486.db2.gz DLVXOFQHSJFKII-QWRGUYRKSA-N 2 0 202.317 1.808 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCc2ccncc2)CC[N@@H+]1C ZINC000156642607 177332541 /nfs/dbraw/zinc/33/25/41/177332541.db2.gz QQEQQSXKUOYMDS-JSGCOSHPSA-N 2 0 233.359 1.696 20 0 BDADRP C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1cccc2nccn21 ZINC000292817385 177336425 /nfs/dbraw/zinc/33/64/25/177336425.db2.gz PLDJFQPHEFRTLU-AAEUAGOBSA-N 2 0 245.326 1.680 20 0 BDADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCCCCF ZINC000308506267 177361586 /nfs/dbraw/zinc/36/15/86/177361586.db2.gz YZNINTOJZAPXET-WDEREUQCSA-N 2 0 202.317 1.795 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C[C@H](C)O1 ZINC000235662803 177362512 /nfs/dbraw/zinc/36/25/12/177362512.db2.gz JLKIDSWYXTVNJX-WUHRBBMRSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCN1CCC1 ZINC000336783268 177369172 /nfs/dbraw/zinc/36/91/72/177369172.db2.gz ZYHNOMRDLOTUFT-AGIUHOORSA-N 2 0 225.380 1.010 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000045663921 177369453 /nfs/dbraw/zinc/36/94/53/177369453.db2.gz SWGJRMYSHFCPFX-RDBSUJKOSA-N 3 0 241.423 1.647 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CCC(O)CC1 ZINC000036907810 177369663 /nfs/dbraw/zinc/36/96/63/177369663.db2.gz UWRPUIFLBSUQPP-CJQNXBEJSA-N 2 0 240.391 1.608 20 0 BDADRP C[C@H]1C[C@H]([NH2+]Cc2ccn(C)c2)CC[N@@H+]1C ZINC000156609655 177370666 /nfs/dbraw/zinc/37/06/66/177370666.db2.gz GFNDAEOGPGMGDF-WCQYABFASA-N 2 0 221.348 1.597 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000352787221 177372161 /nfs/dbraw/zinc/37/21/61/177372161.db2.gz DINPHESBYMPJMM-AGIUHOORSA-N 2 0 240.391 1.752 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000486932688 225273279 /nfs/dbraw/zinc/27/32/79/225273279.db2.gz HHKXHKQTALDFGJ-QWHCGFSZSA-N 2 0 242.407 1.979 20 0 BDADRP C[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CCSC2)C1 ZINC000494934026 226271625 /nfs/dbraw/zinc/27/16/25/226271625.db2.gz UPDWJQDWFZOCKJ-VXGBXAGGSA-N 2 0 228.405 1.623 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCSC1)[C@@H]1CCC[NH2+]1 ZINC000400370765 226341926 /nfs/dbraw/zinc/34/19/26/226341926.db2.gz AIIOVTMWDGJVSH-DCAQKATOSA-N 2 0 214.378 1.470 20 0 BDADRP C[C@H]([NH2+]CC(C)(C)CCCO)[C@@H]1CCC[NH2+]1 ZINC000400464198 226344066 /nfs/dbraw/zinc/34/40/66/226344066.db2.gz SIKXITQALNNFRM-RYUDHWBXSA-N 2 0 228.380 1.515 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCC[C@@H]1CCOC1 ZINC000400541958 226346005 /nfs/dbraw/zinc/34/60/05/226346005.db2.gz KUKJULOLJIJHHQ-MGPQQGTHSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H]([NH2+][C@@H](CCO)C(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000400704977 226349823 /nfs/dbraw/zinc/34/98/23/226349823.db2.gz KRTRCZFLRYNUHE-TUAOUCFPSA-N 2 0 228.380 1.371 20 0 BDADRP C[C@H](C[NH+]1CCCCC1)N[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400736107 226350931 /nfs/dbraw/zinc/35/09/31/226350931.db2.gz RSVWBQZQMZQGIB-HZSPNIEDSA-N 2 0 239.407 1.591 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCC[C@H]1CCOC1 ZINC000401949920 226363726 /nfs/dbraw/zinc/36/37/26/226363726.db2.gz YWAVXOOYEDKBQV-IHRRRGAJSA-N 2 0 240.391 1.910 20 0 BDADRP C[C@H]([NH2+]CCC[C@@H]1CCOC1)[C@@H]1CCCC[NH2+]1 ZINC000402005758 226364277 /nfs/dbraw/zinc/36/42/77/226364277.db2.gz QJWCYJUMVYYGKB-MJBXVCDLSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H]([NH2+]CCC[C@@H]1CCOC1)[C@H]1CCC[NH2+]1 ZINC000402174322 226366304 /nfs/dbraw/zinc/36/63/04/226366304.db2.gz XPRADVCYWJSPAB-YNEHKIRRSA-N 2 0 226.364 1.533 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cccc(O)c2)C1 ZINC000335588916 487652770 /nfs/dbraw/zinc/65/27/70/487652770.db2.gz AFQXEGQMDSYAEI-NWDGAFQWSA-N 2 0 220.316 1.752 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCCc2cncn2C)C1 ZINC000314980955 487669228 /nfs/dbraw/zinc/66/92/28/487669228.db2.gz XNMSAOJEDQLSFF-NEPJUHHUSA-N 2 0 236.363 1.022 20 0 BDADRP [NH3+]C1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC000087790672 487686638 /nfs/dbraw/zinc/68/66/38/487686638.db2.gz ZLFRFNXWFZPMAN-IVVCIIHESA-N 2 0 210.321 1.166 20 0 BDADRP CCC1(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000233025756 487686744 /nfs/dbraw/zinc/68/67/44/487686744.db2.gz AWJGZFNKZCWKPD-GFCCVEGCSA-N 2 0 226.364 1.223 20 0 BDADRP Cc1cncc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000228622658 487695378 /nfs/dbraw/zinc/69/53/78/487695378.db2.gz SKSCISOSDWMJSV-RYUDHWBXSA-N 2 0 219.332 1.559 20 0 BDADRP CCC[NH+]1CCC(Nc2cc[nH+]c(CO)c2)CC1 ZINC000527836078 262887916 /nfs/dbraw/zinc/88/79/16/262887916.db2.gz ZOPXZYAYMQIKGJ-UHFFFAOYSA-N 2 0 249.358 1.860 20 0 BDADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@H]1C[C@H]1C ZINC000397549944 262926797 /nfs/dbraw/zinc/92/67/97/262926797.db2.gz RXQHYUINZMFLIL-UTUOFQBUSA-N 2 0 226.364 1.077 20 0 BDADRP C[C@@H](CCO)CC[NH2+][C@H](C)CCCC[NH3+] ZINC000397722130 262930575 /nfs/dbraw/zinc/93/05/75/262930575.db2.gz KRAQKKGYKYNKFM-VXGBXAGGSA-N 2 0 216.369 1.502 20 0 BDADRP C[C@@H](CCCC[NH3+])NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653142001 487701986 /nfs/dbraw/zinc/70/19/86/487701986.db2.gz XSIYNZDWYYAVBK-NWDGAFQWSA-N 2 0 241.379 1.010 20 0 BDADRP Cc1ncsc1CN1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206166657 974880617 /nfs/dbraw/zinc/88/06/17/974880617.db2.gz TXWBYPRNXABNAR-ZJUUUORDSA-N 2 0 243.351 1.713 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CCCO1 ZINC000250631732 487737418 /nfs/dbraw/zinc/73/74/18/487737418.db2.gz DEOZPXZMRLMUES-TUAOUCFPSA-N 2 0 212.337 1.273 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCCOC(C)(C)C1 ZINC000389285631 487743489 /nfs/dbraw/zinc/74/34/89/487743489.db2.gz VLKOOSCBMYBDCG-UHFFFAOYSA-N 2 0 200.326 1.097 20 0 BDADRP Cc1noc(C)c1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000385250376 487777161 /nfs/dbraw/zinc/77/71/61/487777161.db2.gz QHUWZODRWSECAW-JSGCOSHPSA-N 2 0 249.358 1.852 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](CCOCc2ccccc2)C1 ZINC000307314687 487788772 /nfs/dbraw/zinc/78/87/72/487788772.db2.gz VPVGSMLFYJRMQJ-AWEZNQCLSA-N 2 0 234.343 1.484 20 0 BDADRP CC[C@@H]1C[N@@H+]([C@H](C)COC)CC[C@@H]1[NH3+] ZINC000251728607 487792625 /nfs/dbraw/zinc/79/26/25/487792625.db2.gz KHFKDFUCOOHEBR-MXWKQRLJSA-N 2 0 200.326 1.081 20 0 BDADRP CO[C@@H](C)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000223868669 487798469 /nfs/dbraw/zinc/79/84/69/487798469.db2.gz PILAFLIPZYKKBG-AXFHLTTASA-N 2 0 200.326 1.128 20 0 BDADRP [NH3+]CCC[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000414699055 487817335 /nfs/dbraw/zinc/81/73/35/487817335.db2.gz DVXGFSYAHJHBHJ-NWDGAFQWSA-N 2 0 212.337 1.084 20 0 BDADRP C[C@@](CO)([NH2+]CCC[NH3+])C1CCCCC1 ZINC000414708294 487818717 /nfs/dbraw/zinc/81/87/17/487818717.db2.gz NPJPMKQBUDEOSU-LBPRGKRZSA-N 2 0 214.353 1.256 20 0 BDADRP [NH3+]CCCN1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000414702099 487819289 /nfs/dbraw/zinc/81/92/89/487819289.db2.gz WXBUOHBWCABBRK-ZDUSSCGKSA-N 2 0 225.380 1.286 20 0 BDADRP COCC[N@H+](CCC[NH3+])[C@H]1CC[C@H](C)C1 ZINC000414752511 487822190 /nfs/dbraw/zinc/82/21/90/487822190.db2.gz KXMDRLQLZPTDEV-RYUDHWBXSA-N 2 0 214.353 1.472 20 0 BDADRP Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC[NH3+] ZINC000414760830 487823256 /nfs/dbraw/zinc/82/32/56/487823256.db2.gz HQXKMYOVWAQHKD-YHWZYXNKSA-N 2 0 248.374 1.479 20 0 BDADRP C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CCC[NH3+] ZINC000414765702 487823952 /nfs/dbraw/zinc/82/39/52/487823952.db2.gz QEFKUFXDJWTPGN-YUMQZZPRSA-N 2 0 210.243 1.608 20 0 BDADRP CC[N@@H+]1CC[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000414921794 487828795 /nfs/dbraw/zinc/82/87/95/487828795.db2.gz FWNHTLUWVGMRSN-SYQHCUMBSA-N 3 0 239.407 1.576 20 0 BDADRP Cc1ncc(CC[NH2+][C@H](C)C[C@H](C)[NH3+])s1 ZINC000817915040 586838814 /nfs/dbraw/zinc/83/88/14/586838814.db2.gz GYTRRKALRHHIOW-DTWKUNHWSA-N 2 0 227.377 1.709 20 0 BDADRP COc1cc(C)nc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000414934166 487831514 /nfs/dbraw/zinc/83/15/14/487831514.db2.gz XTFBREJTQLZVGT-VXGBXAGGSA-N 2 0 249.358 1.758 20 0 BDADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@](C)([NH3+])CCC)C1 ZINC000389737945 487832673 /nfs/dbraw/zinc/83/26/73/487832673.db2.gz LFSZXPAVXYCAOZ-DGCLKSJQSA-N 2 0 241.379 1.104 20 0 BDADRP Cc1ccnc(N[C@H](C)[C@H]2CN(C)CCO2)c1 ZINC000676314265 487835833 /nfs/dbraw/zinc/83/58/33/487835833.db2.gz PLUVJQXVEAEZQS-VXGBXAGGSA-N 2 0 235.331 1.521 20 0 BDADRP Cc1ccnc(N[C@@H](C)[C@H]2CN(C)CCO2)c1 ZINC000676314263 487835853 /nfs/dbraw/zinc/83/58/53/487835853.db2.gz PLUVJQXVEAEZQS-NWDGAFQWSA-N 2 0 235.331 1.521 20 0 BDADRP Cc1cc(CC[NH2+]CCC[NH3+])cc(C)c1O ZINC000415104682 487837886 /nfs/dbraw/zinc/83/78/86/487837886.db2.gz LEBMRPTVGARUIF-UHFFFAOYSA-N 2 0 222.332 1.490 20 0 BDADRP Cc1ccc(C[N@H+](C)CC2CC[NH2+]CC2)nc1 ZINC000156607171 487838813 /nfs/dbraw/zinc/83/88/13/487838813.db2.gz WNIJPJYJBBPBPD-UHFFFAOYSA-N 2 0 233.359 1.821 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCOCc2ccccc2)C1 ZINC000309912011 487847301 /nfs/dbraw/zinc/84/73/01/487847301.db2.gz SEDOYZFCQPYMML-ZFWWWQNUSA-N 2 0 248.370 1.872 20 0 BDADRP Cc1cn2c(n1)CN(C[C@H]1CC[NH2+][C@@H](C)C1)CC2 ZINC000666699040 487861813 /nfs/dbraw/zinc/86/18/13/487861813.db2.gz CFFCDUCNLVGHPO-AAEUAGOBSA-N 2 0 248.374 1.395 20 0 BDADRP C[C@H](CC1CCC1)[NH2+]CCCN1CC[NH2+]CC1 ZINC000666738524 487869325 /nfs/dbraw/zinc/86/93/25/487869325.db2.gz RFNMAHBCQYLEBI-CYBMUJFWSA-N 2 0 239.407 1.450 20 0 BDADRP C[C@H]1C[N@H+](CCCC2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000225064982 487876753 /nfs/dbraw/zinc/87/67/53/487876753.db2.gz CNFNVQLWTQCVTA-STQMWFEESA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+]C[C@@H]2CCCCN2)CC[NH2+]1 ZINC000666770572 487877409 /nfs/dbraw/zinc/87/74/09/487877409.db2.gz KBLNUDZWHQTQFK-AGIUHOORSA-N 2 0 225.380 1.106 20 0 BDADRP COC[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000226705449 487879187 /nfs/dbraw/zinc/87/91/87/487879187.db2.gz ZXOFPQQLHQYSMJ-XQQFMLRXSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H](CN1CCN(C)C[C@@H]1C[NH3+])C(C)(C)C ZINC000304319424 487886638 /nfs/dbraw/zinc/88/66/38/487886638.db2.gz RUIWZQFQILSUFU-RYUDHWBXSA-N 2 0 227.396 1.243 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)[C@@H](C)CO1 ZINC000403799446 487888664 /nfs/dbraw/zinc/88/86/64/487888664.db2.gz DYKNGEOJCKJKGV-IGQOVBAYSA-N 2 0 240.391 1.874 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cnc3ccccn23)C1 ZINC000666852276 487891196 /nfs/dbraw/zinc/89/11/96/487891196.db2.gz YLVAJBNTNDYOJV-NEPJUHHUSA-N 2 0 244.342 1.694 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)N[C@H]1CCC[NH2+]CC1 ZINC000666859003 487891916 /nfs/dbraw/zinc/89/19/16/487891916.db2.gz UZOJQBBVVRFYJP-AGIUHOORSA-N 2 0 225.380 1.249 20 0 BDADRP Cc1ccccc1C[N@@H+](C)CC1CN(C)C1 ZINC000668538278 487903156 /nfs/dbraw/zinc/90/31/56/487903156.db2.gz YNIKLAKQGSGWGC-UHFFFAOYSA-N 2 0 218.344 1.988 20 0 BDADRP Oc1cccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)c1 ZINC000666950961 487913343 /nfs/dbraw/zinc/91/33/43/487913343.db2.gz UBZKMXMPVICAAP-ZDUSSCGKSA-N 2 0 232.327 1.624 20 0 BDADRP CC1(C[NH2+][C@@H]2CC23CC[NH2+]CC3)CCC1 ZINC000666953579 487915113 /nfs/dbraw/zinc/91/51/13/487915113.db2.gz BLTCXHHUQXOFDW-LLVKDONJSA-N 2 0 208.349 1.908 20 0 BDADRP CCOC[C@@H](C)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666953549 487915262 /nfs/dbraw/zinc/91/52/62/487915262.db2.gz BBKKSDLRZUVQAJ-GHMZBOCLSA-N 2 0 212.337 1.143 20 0 BDADRP COC[C@H](C)C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666993787 487923338 /nfs/dbraw/zinc/92/33/38/487923338.db2.gz JVSFHRIJMRTNBY-VXGBXAGGSA-N 2 0 226.364 1.533 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666993936 487923545 /nfs/dbraw/zinc/92/35/45/487923545.db2.gz UQMGBKHQZTVZQV-OLZOCXBDSA-N 2 0 239.407 1.624 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666993935 487923691 /nfs/dbraw/zinc/92/36/91/487923691.db2.gz UQMGBKHQZTVZQV-CHWSQXEVSA-N 2 0 239.407 1.624 20 0 BDADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCCF)C1 ZINC000652363592 487932567 /nfs/dbraw/zinc/93/25/67/487932567.db2.gz IXSXHBLSFDOIML-UPJWGTAASA-N 2 0 244.354 1.707 20 0 BDADRP C[C@@H]1CC[N@H+](CC2(F)CC2)C[C@H]1C[NH3+] ZINC000667040108 487933367 /nfs/dbraw/zinc/93/33/67/487933367.db2.gz OBOGBXBPVBRPLN-NXEZZACHSA-N 2 0 200.301 1.405 20 0 BDADRP C[C@@H]([NH3+])C[N@@H+]1CCc2ccccc2[C@H](C)C1 ZINC000404977943 487938612 /nfs/dbraw/zinc/93/86/12/487938612.db2.gz BSLRZFBBDWKIFJ-VXGBXAGGSA-N 2 0 218.344 1.995 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H]([NH3+])C1CC1 ZINC000560942778 322993676 /nfs/dbraw/zinc/99/36/76/322993676.db2.gz DYKQMBIVPHJQES-XBFCOCLRSA-N 2 0 239.407 1.624 20 0 BDADRP C[C@@H](C[NH2+]CC1Cc2ccccc2C1)N(C)C ZINC000562661733 323026309 /nfs/dbraw/zinc/02/63/09/323026309.db2.gz PCENLEURIYEYJN-LBPRGKRZSA-N 2 0 232.371 1.941 20 0 BDADRP FC1(C[NH2+]CCC[C@H]2CCC[NH2+]2)CC1 ZINC000562748017 323029600 /nfs/dbraw/zinc/02/96/00/323029600.db2.gz HGDLYVAIBHEECF-JTQLQIEISA-N 2 0 200.301 1.610 20 0 BDADRP COC[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])C(C)C ZINC000569684673 323036909 /nfs/dbraw/zinc/03/69/09/323036909.db2.gz WGIXEBPAWBPNBL-VWYCJHECSA-N 2 0 202.342 1.373 20 0 BDADRP [NH3+]Cc1ccc(-c2noc([C@H]3C[C@@H]([NH3+])C3)n2)cc1 ZINC000569845975 323042463 /nfs/dbraw/zinc/04/24/63/323042463.db2.gz XBONYQZPUWSPPW-PHIMTYICSA-N 2 0 244.298 1.400 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2CCO)C1 ZINC000570105974 323050035 /nfs/dbraw/zinc/05/00/35/323050035.db2.gz GKDTXFCETYNNIO-NDBYEHHHSA-N 2 0 226.364 1.397 20 0 BDADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCCC(C)(C)CC1 ZINC000570286802 323055266 /nfs/dbraw/zinc/05/52/66/323055266.db2.gz ZUPMABKKWXHLMF-ZDUSSCGKSA-N 2 0 228.380 1.469 20 0 BDADRP C[C@H]1CC2(C[N@@H+]1CC1(F)CC1)CC[NH2+]CC2 ZINC000570442810 323059500 /nfs/dbraw/zinc/05/95/00/323059500.db2.gz RCDFIVCANHEAAM-NSHDSACASA-N 2 0 226.339 1.953 20 0 BDADRP C[NH2+][C@@H](C)C(=O)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000570863940 323072870 /nfs/dbraw/zinc/07/28/70/323072870.db2.gz NCBJQSJZANGABC-NSHDSACASA-N 2 0 249.358 1.603 20 0 BDADRP CCOC(=O)CCCC[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000567735510 323079604 /nfs/dbraw/zinc/07/96/04/323079604.db2.gz LNNRDGQNBMQMJC-LBPRGKRZSA-N 2 0 242.363 1.391 20 0 BDADRP [NH3+]C[C@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000516651729 323081306 /nfs/dbraw/zinc/08/13/06/323081306.db2.gz KIEHOFRYIRPGNF-CYBMUJFWSA-N 3 0 225.380 1.047 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)NCc1ccc(C[NH3+])cc1 ZINC000563164782 323099333 /nfs/dbraw/zinc/09/93/33/323099333.db2.gz FVKWMQGFTONFGN-CQSZACIVSA-N 2 0 249.358 1.279 20 0 BDADRP Cc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])ccn1 ZINC000391165274 323099469 /nfs/dbraw/zinc/09/94/69/323099469.db2.gz OTNLDHNSMAMALE-ZIAGYGMSSA-N 2 0 233.359 1.997 20 0 BDADRP CC(C)[C@H](O)CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000571038343 323104417 /nfs/dbraw/zinc/10/44/17/323104417.db2.gz MNGRVQWCPJJGLA-RWMBFGLXSA-N 2 0 228.380 1.371 20 0 BDADRP COC[C@@H](CC(C)C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000531716361 323112047 /nfs/dbraw/zinc/11/20/47/323112047.db2.gz SYHQXURCNQCQTE-UONOGXRCSA-N 2 0 242.407 1.979 20 0 BDADRP CC[C@H]([NH2+]CCc1cncn1C)[C@H]1CCOC1 ZINC000401833897 323127777 /nfs/dbraw/zinc/12/77/77/323127777.db2.gz HGSSUDWLJKXRTK-AAEUAGOBSA-N 2 0 237.347 1.367 20 0 BDADRP C[C@@H]1CCN(CC[NH2+][C@@H]2COC(C)(C)C2)C1 ZINC000564552030 323127981 /nfs/dbraw/zinc/12/79/81/323127981.db2.gz JKSMCNQSLHSMRT-NEPJUHHUSA-N 2 0 226.364 1.485 20 0 BDADRP O[C@@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)C[NH+]1CCCC1 ZINC000571346391 323142247 /nfs/dbraw/zinc/14/22/47/323142247.db2.gz JKYXLPVKSKUELS-FQUUOJAGSA-N 2 0 238.375 1.221 20 0 BDADRP COC[C@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000518804720 323142702 /nfs/dbraw/zinc/14/27/02/323142702.db2.gz ZSSWHAYWHIDGKH-LLVKDONJSA-N 2 0 202.342 1.152 20 0 BDADRP CC(C)n1cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cn1 ZINC000571404522 323143751 /nfs/dbraw/zinc/14/37/51/323143751.db2.gz XFORCRNCFMRDFN-WDEREUQCSA-N 2 0 224.352 1.679 20 0 BDADRP CC[N@@H+]1CC[C@H](NCCC[NH2+]C(C)C)[C@@H](C)C1 ZINC000571431251 323144696 /nfs/dbraw/zinc/14/46/96/323144696.db2.gz NEVUDSIWIMZHNX-KBPBESRZSA-N 2 0 241.423 1.694 20 0 BDADRP CC[C@@H](O)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000305064674 323167000 /nfs/dbraw/zinc/16/70/00/323167000.db2.gz HMNYCHOQBYGULE-JHJVBQTASA-N 2 0 228.380 1.419 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](CC2(F)CC2)CC1 ZINC000307318023 323169574 /nfs/dbraw/zinc/16/95/74/323169574.db2.gz LPODELWUCXFIOL-SECBINFHSA-N 2 0 200.301 1.548 20 0 BDADRP C[C@H](CCc1ccco1)[NH2+]CC(C)(C)[NH3+] ZINC000309003310 323184265 /nfs/dbraw/zinc/18/42/65/323184265.db2.gz MDGICIGGGQFYPY-SNVBAGLBSA-N 2 0 210.321 1.928 20 0 BDADRP C[C@H](CCCO)[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000395138423 323188729 /nfs/dbraw/zinc/18/87/29/323188729.db2.gz SZFQEZXVJQQKNT-GRYCIOLGSA-N 2 0 214.353 1.268 20 0 BDADRP CC[C@@H](COC)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000070624297 323205145 /nfs/dbraw/zinc/20/51/45/323205145.db2.gz NTQYTSJNOFSZNF-RYUDHWBXSA-N 2 0 214.353 1.343 20 0 BDADRP C[N@H+](C[C@H]1CCCC[C@@H]1O)C1CC[NH2+]CC1 ZINC000328460292 323251954 /nfs/dbraw/zinc/25/19/54/323251954.db2.gz GYGFEHSPBDWGQJ-YPMHNXCESA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H]1[C@@H]([NH2+][C@@H]2COC(C)(C)C2)CCCN1C ZINC000418015223 323313846 /nfs/dbraw/zinc/31/38/46/323313846.db2.gz YSBFYPOBNCXZSO-WOPDTQHZSA-N 2 0 226.364 1.626 20 0 BDADRP CC[C@H](NC(=O)Cn1cncc1C)c1ncc[nH]1 ZINC000529050736 324238370 /nfs/dbraw/zinc/23/83/70/324238370.db2.gz IDWFVHOAXFIRIN-JTQLQIEISA-N 2 0 247.302 1.182 20 0 BDADRP COC1CC([NH2+]C[C@@H]2CCN2C2CCCC2)C1 ZINC000529668630 324374382 /nfs/dbraw/zinc/37/43/82/324374382.db2.gz HXUCCQXEPCXGAD-QRMWWUJWSA-N 2 0 238.375 1.770 20 0 BDADRP Cc1ncccc1C[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000530243944 324554948 /nfs/dbraw/zinc/55/49/48/324554948.db2.gz IXKDDERJZFHGOT-WCQYABFASA-N 2 0 233.359 1.868 20 0 BDADRP CC(C)[C@@H](C)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000127425232 324767208 /nfs/dbraw/zinc/76/72/08/324767208.db2.gz OETSTCDEHBEKQK-QWHCGFSZSA-N 2 0 227.396 1.256 20 0 BDADRP C[C@@H](O)C[C@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000543088031 325071272 /nfs/dbraw/zinc/07/12/72/325071272.db2.gz YURSLRVHGJWGGF-NWDGAFQWSA-N 2 0 240.391 1.610 20 0 BDADRP [NH3+]CC1(O)CC[NH+](CCCc2ccccc2)CC1 ZINC000071563499 325080190 /nfs/dbraw/zinc/08/01/90/325080190.db2.gz AJYVEVGQDHSAOC-UHFFFAOYSA-N 2 0 248.370 1.405 20 0 BDADRP CC[NH2+]Cc1cccc(NC(=O)[C@H](C)[NH3+])c1 ZINC000131639683 325172345 /nfs/dbraw/zinc/17/23/45/325172345.db2.gz QHDYJEVAWZSMGE-VIFPVBQESA-N 2 0 221.304 1.082 20 0 BDADRP CC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000076000761 325325212 /nfs/dbraw/zinc/32/52/12/325325212.db2.gz PZJICEQLUCNXIF-QWHCGFSZSA-N 2 0 228.380 1.421 20 0 BDADRP C[C@H]([NH2+]CC1([NH3+])CCCC1)[C@@H]1CCOC1 ZINC000158625063 487969266 /nfs/dbraw/zinc/96/92/66/487969266.db2.gz PZPGLRAVRJWYJV-WDEREUQCSA-N 2 0 212.337 1.273 20 0 BDADRP C([NH2+][C@@H]1CCC12CCOCC2)[C@H]1CCC[NH2+]C1 ZINC000564791795 325809531 /nfs/dbraw/zinc/80/95/31/325809531.db2.gz HORZWISPGZLWIK-QWHCGFSZSA-N 2 0 238.375 1.535 20 0 BDADRP CC1(C)CCCC[C@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000565821634 325960434 /nfs/dbraw/zinc/96/04/34/325960434.db2.gz ROICKJGRNFTXHN-KXNHARMFSA-N 2 0 208.349 1.763 20 0 BDADRP CC[C@H]([NH3+])CNC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000566009268 325983161 /nfs/dbraw/zinc/98/31/61/325983161.db2.gz KZSGNHCUXYOTBJ-CABZTGNLSA-N 2 0 235.331 1.173 20 0 BDADRP CC(C)[NH2+]CCC[NH2+][C@@H]1CCCSC1 ZINC000566088181 325991804 /nfs/dbraw/zinc/99/18/04/325991804.db2.gz BQCRHNDWHGOOSO-LLVKDONJSA-N 2 0 216.394 1.860 20 0 BDADRP CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000566088976 325992836 /nfs/dbraw/zinc/99/28/36/325992836.db2.gz XDVYXDMCWSAXJR-XGFWRYKXSA-N 2 0 238.375 1.674 20 0 BDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC(C)(C)[NH3+] ZINC000566201303 326011857 /nfs/dbraw/zinc/01/18/57/326011857.db2.gz SXKYHOHVXYNGQN-NSHDSACASA-N 2 0 241.379 1.103 20 0 BDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC(C)(C)[NH3+] ZINC000566201302 326011872 /nfs/dbraw/zinc/01/18/72/326011872.db2.gz SXKYHOHVXYNGQN-LLVKDONJSA-N 2 0 241.379 1.103 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000566229875 326019088 /nfs/dbraw/zinc/01/90/88/326019088.db2.gz QSQAAPSRKBAXPC-QSLWVIQJSA-N 2 0 239.407 1.623 20 0 BDADRP C[NH2+]Cc1ccccc1NC(=O)CC[C@H](C)[NH3+] ZINC000566240010 326021026 /nfs/dbraw/zinc/02/10/26/326021026.db2.gz CEGNEWUPDZDDEQ-JTQLQIEISA-N 2 0 235.331 1.472 20 0 BDADRP C[C@@]1(C[NH+]2CCC(CC[NH3+])CC2)CC[NH2+]C1 ZINC000566316917 326032720 /nfs/dbraw/zinc/03/27/20/326032720.db2.gz SUVBNRJYHSUOLI-CYBMUJFWSA-N 3 0 225.380 1.047 20 0 BDADRP CCCCNC(=O)CC[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000566411896 326041441 /nfs/dbraw/zinc/04/14/41/326041441.db2.gz MSQJWVGNFLCSCG-VXGBXAGGSA-N 2 0 241.379 1.104 20 0 BDADRP CC(C)[N@@H+](C)C[C@H](C)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000566480975 326055674 /nfs/dbraw/zinc/05/56/74/326055674.db2.gz CXZWEHAVMWVGAI-AVGNSLFASA-N 2 0 227.396 1.575 20 0 BDADRP CC[NH2+]CCC[NH2+][C@H]1CCC[C@@H]1COCC ZINC000566614423 326067780 /nfs/dbraw/zinc/06/77/80/326067780.db2.gz RIVPDDYRNJXMHD-OLZOCXBDSA-N 2 0 228.380 1.781 20 0 BDADRP C[C@@H](C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)C[NH+](C)C ZINC000566778830 326082277 /nfs/dbraw/zinc/08/22/77/326082277.db2.gz ZSISRTLQAFTQMU-WUHRBBMRSA-N 2 0 228.380 1.730 20 0 BDADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000567226683 326145686 /nfs/dbraw/zinc/14/56/86/326145686.db2.gz IOZSSWMQNAXDPB-KBPBESRZSA-N 2 0 240.391 1.781 20 0 BDADRP CCOC[C@H]1CCC[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000567226684 326145956 /nfs/dbraw/zinc/14/59/56/326145956.db2.gz IOZSSWMQNAXDPB-KGLIPLIRSA-N 2 0 240.391 1.781 20 0 BDADRP CC[NH+](CC)CCCN1CC[NH2+]C[C@@H]1C(F)F ZINC000567235510 326148093 /nfs/dbraw/zinc/14/80/93/326148093.db2.gz NARFBKPMBSPFIM-LLVKDONJSA-N 2 0 249.349 1.257 20 0 BDADRP COC[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)C(C)C ZINC000567613631 326229654 /nfs/dbraw/zinc/22/96/54/326229654.db2.gz GEFMZRMYPHCYHK-CQSZACIVSA-N 2 0 236.359 1.906 20 0 BDADRP CC(C)[NH2+]CCCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000567639271 326236743 /nfs/dbraw/zinc/23/67/43/326236743.db2.gz CWJPRHIZPSVEQA-QWHCGFSZSA-N 2 0 227.396 1.352 20 0 BDADRP CCc1cnc(CN2C[C@H](C[NH3+])C[C@H]2C)o1 ZINC000567739567 326253543 /nfs/dbraw/zinc/25/35/43/326253543.db2.gz VLVOUMGZPUJLNS-ZJUUUORDSA-N 2 0 223.320 1.406 20 0 BDADRP C[C@H]([NH2+]C1CC1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000567839036 326267992 /nfs/dbraw/zinc/26/79/92/326267992.db2.gz NKXSRLWHOQDCDM-VIFPVBQESA-N 2 0 233.315 1.224 20 0 BDADRP [NH3+]C[C@H]1C[N@H+](CCCF)CC12CCOCC2 ZINC000567894801 326278417 /nfs/dbraw/zinc/27/84/17/326278417.db2.gz VIPJEPXWIYZBQE-NSHDSACASA-N 2 0 230.327 1.033 20 0 BDADRP Cc1noc(C)c1CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000568247222 326333850 /nfs/dbraw/zinc/33/38/50/326333850.db2.gz FPHNJPZBQJCONE-NEPJUHHUSA-N 2 0 237.347 1.693 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@]2(C)CO)CC[NH2+]1 ZINC000569199963 326394479 /nfs/dbraw/zinc/39/44/79/326394479.db2.gz DDLQPYRTCAYQHD-UPJWGTAASA-N 2 0 226.364 1.221 20 0 BDADRP O[C@@H](C[NH2+][C@H]1CC=CCC1)C[NH+]1CCCC1 ZINC000084067847 487991499 /nfs/dbraw/zinc/99/14/99/487991499.db2.gz DQFOQFAXRBNOFV-STQMWFEESA-N 2 0 224.348 1.141 20 0 BDADRP C[N@H+](CCNC(=O)CC(C)(C)[NH3+])C1CCCC1 ZINC000084186874 488035757 /nfs/dbraw/zinc/03/57/57/488035757.db2.gz WHYJUVHLQHQEDQ-UHFFFAOYSA-N 2 0 241.379 1.104 20 0 BDADRP CC[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C[N@H+](C)C(C)C ZINC000388608804 488049819 /nfs/dbraw/zinc/04/98/19/488049819.db2.gz XBHSNMJBVILWJH-HZSPNIEDSA-N 2 0 242.407 1.856 20 0 BDADRP C[NH2+]C[C@H](C)N[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000663515007 488058341 /nfs/dbraw/zinc/05/83/41/488058341.db2.gz XWSKJSJIRFJLJP-CFVMTHIKSA-N 2 0 247.386 1.677 20 0 BDADRP Cc1ncc(C[N@H+](C)CC2CCOCC2)n1C ZINC000667617350 488060083 /nfs/dbraw/zinc/06/00/83/488060083.db2.gz OUTXJFFSSJRAHP-UHFFFAOYSA-N 2 0 237.347 1.587 20 0 BDADRP C[NH+](C)[C@H]1CCN(c2[nH+]ccc3[nH]ccc32)C1 ZINC000663537298 488061136 /nfs/dbraw/zinc/06/11/36/488061136.db2.gz GAZQUUJLGHUCBH-JTQLQIEISA-N 2 0 230.315 1.703 20 0 BDADRP O[C@@H](C[NH2+]CC1(C2CC2)CC1)C[NH+]1CCCC1 ZINC000236521642 488068418 /nfs/dbraw/zinc/06/84/18/488068418.db2.gz WZXOTCMCKZBYAI-ZDUSSCGKSA-N 2 0 238.375 1.223 20 0 BDADRP CCCN1CC[C@@H]([NH2+][C@H](C)CCCC[NH3+])C1 ZINC000389114249 488077398 /nfs/dbraw/zinc/07/73/98/488077398.db2.gz AYZULXPYBUMLNS-CHWSQXEVSA-N 2 0 227.396 1.578 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000389109302 488077642 /nfs/dbraw/zinc/07/76/42/488077642.db2.gz ADROBZMBOJSZRE-AVGNSLFASA-N 2 0 225.380 1.188 20 0 BDADRP C[C@H](C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)C(C)(C)C ZINC000389323289 488088776 /nfs/dbraw/zinc/08/87/76/488088776.db2.gz DEFMTCJKDMAKNV-IJLUTSLNSA-N 2 0 210.365 1.820 20 0 BDADRP [NH3+]Cc1cccc(NC(=O)C2([NH3+])CCCCC2)c1 ZINC000669508434 488108986 /nfs/dbraw/zinc/10/89/86/488108986.db2.gz XQGZMYOEODIFCQ-UHFFFAOYSA-N 2 0 247.342 1.745 20 0 BDADRP C[C@]1(C(=O)Nc2cccc(C[NH3+])c2)CCC[NH2+]C1 ZINC000669508306 488109199 /nfs/dbraw/zinc/10/91/99/488109199.db2.gz CJVQFFRZLPCBRG-AWEZNQCLSA-N 2 0 247.342 1.474 20 0 BDADRP CC[C@@H]([NH3+])C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000669510836 488114891 /nfs/dbraw/zinc/11/48/91/488114891.db2.gz BXPQHSZVZVHPNW-LLVKDONJSA-N 2 0 233.315 1.008 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)CO1 ZINC000657348770 488116001 /nfs/dbraw/zinc/11/60/01/488116001.db2.gz HNFIWXIGJBANOD-QWHCGFSZSA-N 2 0 226.364 1.485 20 0 BDADRP COCCCC[N@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000397380961 488117080 /nfs/dbraw/zinc/11/70/80/488117080.db2.gz HMWUMNTXIKKYBU-CYBMUJFWSA-N 2 0 246.395 1.046 20 0 BDADRP COC[C@H](C)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662292515 487541594 /nfs/dbraw/zinc/54/15/94/487541594.db2.gz NJPFQRHLFHSCBD-JSGCOSHPSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H](C(=O)Nc1cccc(C[NH+](C)C)c1)[NH+](C)C ZINC000674286684 487546775 /nfs/dbraw/zinc/54/67/75/487546775.db2.gz RZCHRCFQSCCTQO-NSHDSACASA-N 2 0 249.358 1.637 20 0 BDADRP C[NH+](C)C[C@H]1CCCN1C(=O)CCC(C)(C)[NH3+] ZINC000070088423 487548331 /nfs/dbraw/zinc/54/83/31/487548331.db2.gz FXYZEPUREQDQKK-LLVKDONJSA-N 2 0 241.379 1.057 20 0 BDADRP C[N@H+](CCOC(C)(C)C)C[C@H]1CC[NH2+]C1 ZINC000382751876 487550439 /nfs/dbraw/zinc/55/04/39/487550439.db2.gz HDNUJRCHSICWIH-NSHDSACASA-N 2 0 214.353 1.343 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2CCCOC2)C1 ZINC000674302107 487554678 /nfs/dbraw/zinc/55/46/78/487554678.db2.gz JOQWJZCHVNKRAJ-STQMWFEESA-N 2 0 226.364 1.439 20 0 BDADRP CC[C@H](C)C[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000227702558 487471181 /nfs/dbraw/zinc/47/11/81/487471181.db2.gz YEFDFEMXLICZAT-MELADBBJSA-N 2 0 242.407 1.857 20 0 BDADRP CO[C@H](C)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000679852987 487472419 /nfs/dbraw/zinc/47/24/19/487472419.db2.gz WKXUAGRZXVSLHD-GFCCVEGCSA-N 2 0 235.331 1.239 20 0 BDADRP Cc1ccc(C[NH2+]CC2CC[NH+](C)CC2)cn1 ZINC000062051472 487491473 /nfs/dbraw/zinc/49/14/73/487491473.db2.gz SJLBTKCXAXNJKG-UHFFFAOYSA-N 2 0 233.359 1.821 20 0 BDADRP CC(C)OCC[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000381160610 487499640 /nfs/dbraw/zinc/49/96/40/487499640.db2.gz RGTSJXKDQHQDRV-STQMWFEESA-N 2 0 226.364 1.472 20 0 BDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@@H]1CCCCO1 ZINC000227735047 487504673 /nfs/dbraw/zinc/50/46/73/487504673.db2.gz QXNFBJPIFKSNDP-QWHCGFSZSA-N 2 0 228.380 1.861 20 0 BDADRP C[N@H+](CCN1CCCCC1)CC1CC[NH2+]CC1 ZINC000094024250 487504669 /nfs/dbraw/zinc/50/46/69/487504669.db2.gz FRTUOMCXAKSUOP-UHFFFAOYSA-N 2 0 239.407 1.404 20 0 BDADRP CCOCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252419312 487823983 /nfs/dbraw/zinc/82/39/83/487823983.db2.gz YYIFFNWWCIKGGI-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)CC2([NH3+])CCC2)cc1 ZINC000669520269 488139778 /nfs/dbraw/zinc/13/97/78/488139778.db2.gz VJWBQHVJGLLUHL-UHFFFAOYSA-N 2 0 247.342 1.616 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1COC2(CCC2)C1 ZINC000657859210 488152506 /nfs/dbraw/zinc/15/25/06/488152506.db2.gz RBVOKQATTJDJPO-NWDGAFQWSA-N 2 0 226.364 1.628 20 0 BDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCc1ccnn1C ZINC000230775506 488157051 /nfs/dbraw/zinc/15/70/51/488157051.db2.gz MNQRXEJHLNDSML-CYBMUJFWSA-N 2 0 238.379 1.268 20 0 BDADRP COC1([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)CCC1 ZINC000657877422 488159579 /nfs/dbraw/zinc/15/95/79/488159579.db2.gz RANGWUUOWNDDBW-STQMWFEESA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)CC1CC1 ZINC000380123656 488175648 /nfs/dbraw/zinc/17/56/48/488175648.db2.gz VEILTSPJCSGDAW-GFCCVEGCSA-N 2 0 214.353 1.029 20 0 BDADRP CC[NH+](CC)CC1CC[NH+](C[C@H](C)CO)CC1 ZINC000678043584 488178296 /nfs/dbraw/zinc/17/82/96/488178296.db2.gz BNVGDASTZAZALY-ZDUSSCGKSA-N 2 0 242.407 1.669 20 0 BDADRP C[C@H](CO)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000678043403 488178845 /nfs/dbraw/zinc/17/88/45/488178845.db2.gz CETILBKSRGGCDZ-JSGCOSHPSA-N 2 0 240.391 1.279 20 0 BDADRP C[C@H]1C[N@H+](Cc2cnc3n2CCC3)CC[C@H]1O ZINC000668011437 488183897 /nfs/dbraw/zinc/18/38/97/488183897.db2.gz BBJDMYOPGSENOX-CMPLNLGQSA-N 2 0 235.331 1.032 20 0 BDADRP COC[C@@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000678079369 488191876 /nfs/dbraw/zinc/19/18/76/488191876.db2.gz VUFSYBMGWXZILN-STQMWFEESA-N 2 0 226.364 1.582 20 0 BDADRP C[C@H]1COCCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000678080954 488192883 /nfs/dbraw/zinc/19/28/83/488192883.db2.gz QGQSYUUINLPYNS-STQMWFEESA-N 2 0 226.364 1.582 20 0 BDADRP COCC1([N@H+](C)CC[C@@H]2CCC[NH+]2C)CC1 ZINC000678084512 488194104 /nfs/dbraw/zinc/19/41/04/488194104.db2.gz XTAAGHMBWZJNPN-LBPRGKRZSA-N 2 0 226.364 1.582 20 0 BDADRP [NH3+][C@@H]1C[C@H](N[C@H]2CC[NH2+]C2)c2ccccc21 ZINC000333344631 488210900 /nfs/dbraw/zinc/21/09/00/488210900.db2.gz YXWXOGOOMSBLPT-BIMULSAOSA-N 2 0 217.316 1.083 20 0 BDADRP c1cc2c(cccc2C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)[nH]1 ZINC000678342886 488243506 /nfs/dbraw/zinc/24/35/06/488243506.db2.gz FCCWVLMEDZOPSR-STQMWFEESA-N 2 0 241.338 1.819 20 0 BDADRP OC[C@H](CC1CC1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000678604989 488270941 /nfs/dbraw/zinc/27/09/41/488270941.db2.gz BIQNWGTWGALADC-HZSPNIEDSA-N 2 0 238.375 1.364 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H](CO)CC2CC2)CN1C1CC1 ZINC000678608373 488272074 /nfs/dbraw/zinc/27/20/74/488272074.db2.gz WHZBEZTVYXNHEU-KGYLQXTDSA-N 2 0 238.375 1.362 20 0 BDADRP CC(C)(O)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000684588966 488329142 /nfs/dbraw/zinc/32/91/42/488329142.db2.gz VBSFXSMFJKONPT-UHFFFAOYSA-N 2 0 249.358 1.365 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCCOC1 ZINC000070011472 490196309 /nfs/dbraw/zinc/19/63/09/490196309.db2.gz YRQJZFGZTVFUGZ-GFCCVEGCSA-N 2 0 214.353 1.487 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@@H]1CCCOC1 ZINC000070014147 490197905 /nfs/dbraw/zinc/19/79/05/490197905.db2.gz RECVIGRZHZBXJW-LLVKDONJSA-N 2 0 200.326 1.097 20 0 BDADRP CC[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000383723841 490200037 /nfs/dbraw/zinc/20/00/37/490200037.db2.gz YVWFAUSKVNIABO-KBPBESRZSA-N 2 0 242.407 1.810 20 0 BDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C[C@@H]1C[C@@H]1C ZINC000668475179 490273651 /nfs/dbraw/zinc/27/36/51/490273651.db2.gz NGGMQTMJEHTXDH-IHRRRGAJSA-N 2 0 241.423 1.504 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@@H](O)[C@@H](C)CC)CC1 ZINC000305107784 490434559 /nfs/dbraw/zinc/43/45/59/490434559.db2.gz DOJPZVYUADANIU-GXTWGEPZSA-N 2 0 242.407 1.857 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(O)CCCC2)[C@H](C)C1 ZINC000305112950 490437577 /nfs/dbraw/zinc/43/75/77/490437577.db2.gz GQYLQMJBXMFWBQ-OLZOCXBDSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCO[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000300415847 490560334 /nfs/dbraw/zinc/56/03/34/490560334.db2.gz ZTPVHBCJEQHNKI-YRGRVCCFSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CO)CC[N@@H+]1C ZINC000128103453 490572149 /nfs/dbraw/zinc/57/21/49/490572149.db2.gz DDLJTLGMHUWVTI-MNOVXSKESA-N 2 0 214.353 1.077 20 0 BDADRP C[C@H](O)CCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000228041101 491088464 /nfs/dbraw/zinc/08/84/64/491088464.db2.gz AREVZHGXYBRIDU-RYUDHWBXSA-N 2 0 228.380 1.467 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@@H]2C1 ZINC000383740019 491090568 /nfs/dbraw/zinc/09/05/68/491090568.db2.gz IDYGMBAKTWMGNB-MJBXVCDLSA-N 2 0 240.391 1.419 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000665282916 491107970 /nfs/dbraw/zinc/10/79/70/491107970.db2.gz DWSHDBIXRVHROF-JHJVBQTASA-N 2 0 227.396 1.467 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCCO2)CC1(C)C ZINC000084500141 491122002 /nfs/dbraw/zinc/12/20/02/491122002.db2.gz CWIZESWBRKHWBX-NEPJUHHUSA-N 2 0 226.364 1.628 20 0 BDADRP C[NH+](C)C[C@](C)(O)C[NH2+]CC1(C)CCC1 ZINC000308960540 491141090 /nfs/dbraw/zinc/14/10/90/491141090.db2.gz FZWAVCZNERDZNI-GFCCVEGCSA-N 2 0 214.353 1.079 20 0 BDADRP C[C@H]([NH2+]C[C@@]1(C)CCOC1)[C@@H]1CCC[NH2+]1 ZINC000400323018 533892673 /nfs/dbraw/zinc/89/26/73/533892673.db2.gz ALJWLHPLVNZKSY-SDDRHHMPSA-N 2 0 212.337 1.143 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)NC[C@H](C)[NH+](CC)CC ZINC000262718089 535528818 /nfs/dbraw/zinc/52/88/18/535528818.db2.gz WZJKEBFEAOFQHO-WCQYABFASA-N 2 0 243.395 1.350 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCOCC2)[C@@H]1C ZINC000494919949 533945204 /nfs/dbraw/zinc/94/52/04/533945204.db2.gz FQCYHELFPNKOCV-MCIONIFRSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1C[C@H]1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000488319176 534019468 /nfs/dbraw/zinc/01/94/68/534019468.db2.gz BRQJTNINRNGEBP-UPJWGTAASA-N 2 0 210.365 1.916 20 0 BDADRP C[C@H]1[N@H+](CC2CC[NH+](C)CC2)CCOC1(C)C ZINC000892068413 582783444 /nfs/dbraw/zinc/78/34/44/582783444.db2.gz NEQMXMWODARTNY-GFCCVEGCSA-N 2 0 240.391 1.828 20 0 BDADRP C[N@@H+]1CC[C@@H]2CCN(C[C@]3(C)CC[NH2+]C3)[C@@H]2C1 ZINC000262092260 536465118 /nfs/dbraw/zinc/46/51/18/536465118.db2.gz UXJHUWIMMREQEG-MGPQQGTHSA-N 2 0 237.391 1.012 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2C[C@@H]2C)C1 ZINC000488355535 527818783 /nfs/dbraw/zinc/81/87/83/527818783.db2.gz RONBSJMKVOGAAF-RWMBFGLXSA-N 2 0 210.365 1.916 20 0 BDADRP CCC[N@@H+]1CC[C@@H](C[NH2+]CC(C)(C)COC)C1 ZINC000494310403 528254753 /nfs/dbraw/zinc/25/47/53/528254753.db2.gz KUYNWSVSLMTGFK-ZDUSSCGKSA-N 2 0 242.407 1.981 20 0 BDADRP CC[C@@H](C)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000308863398 529319855 /nfs/dbraw/zinc/31/98/55/529319855.db2.gz CRIDPPUYDVFGOB-UPJWGTAASA-N 2 0 210.365 1.964 20 0 BDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(C)(C)O ZINC000227737321 535062520 /nfs/dbraw/zinc/06/25/20/535062520.db2.gz ZDZONPNLBLIGPA-SNVBAGLBSA-N 2 0 202.342 1.063 20 0 BDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CC[C@@H]1CCCO1 ZINC000227736469 535062805 /nfs/dbraw/zinc/06/28/05/535062805.db2.gz PSOQIHLSVWJVDI-QWHCGFSZSA-N 2 0 228.380 1.861 20 0 BDADRP CC(C)[NH+]1CCC(N(C)C[C@@H](C)[NH3+])CC1 ZINC000261534804 535152258 /nfs/dbraw/zinc/15/22/58/535152258.db2.gz NAPNTYGOYOWCBK-LLVKDONJSA-N 2 0 213.369 1.138 20 0 BDADRP CCC(C)(C)C[NH2+][C@H](CCC[NH3+])COC ZINC000232997423 535354121 /nfs/dbraw/zinc/35/41/21/535354121.db2.gz KYFZMNKBOAOSKB-LLVKDONJSA-N 2 0 216.369 1.766 20 0 BDADRP CCOCC(C)(C)C[NH2+]C1CCC([NH3+])CC1 ZINC000261576625 535433176 /nfs/dbraw/zinc/43/31/76/535433176.db2.gz KLLCEJDTKAOZFU-UHFFFAOYSA-N 2 0 228.380 1.909 20 0 BDADRP CC[C@@H](C)[NH+]1CCN(c2cc[nH+]c(CO)c2)CC1 ZINC000055069072 535566538 /nfs/dbraw/zinc/56/65/38/535566538.db2.gz MXVHWDYEGHIOSR-GFCCVEGCSA-N 2 0 249.358 1.494 20 0 BDADRP CC[C@H](C)[C@@H](C)[NH2+]CCOCC[NH+](C)C ZINC000219313094 535834671 /nfs/dbraw/zinc/83/46/71/535834671.db2.gz CFHIWTXPNYNICR-NWDGAFQWSA-N 2 0 216.369 1.589 20 0 BDADRP C[NH+](C)[C@H]1CCCN(CC[NH2+]C(C)(C)C)C1 ZINC000084419715 536138154 /nfs/dbraw/zinc/13/81/54/536138154.db2.gz ZYQQBXMCIXCYPC-LBPRGKRZSA-N 2 0 227.396 1.401 20 0 BDADRP CCc1cc(N2CC([NH+](C)C)C2)cc[nH+]1 ZINC000336192473 536143636 /nfs/dbraw/zinc/14/36/36/536143636.db2.gz LZKYEDLSZZRWET-UHFFFAOYSA-N 2 0 205.305 1.394 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H](CCO)C(C)(C)C ZINC000183686225 536370422 /nfs/dbraw/zinc/37/04/22/536370422.db2.gz CIBRJPTYKNOBCG-OLZOCXBDSA-N 2 0 242.407 1.857 20 0 BDADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCCF)C2)C1 ZINC000336114062 536381100 /nfs/dbraw/zinc/38/11/00/536381100.db2.gz WKEINSACNGQIRZ-GFCCVEGCSA-N 2 0 214.328 1.764 20 0 BDADRP C[N@@H+]1CC[C@@H]2CCN(C[C@H]3CCC[NH2+]C3)[C@H]2C1 ZINC000261764506 536464712 /nfs/dbraw/zinc/46/47/12/536464712.db2.gz DHBAUXDNQUSIQM-MJBXVCDLSA-N 2 0 237.391 1.012 20 0 BDADRP COCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250442231 536591894 /nfs/dbraw/zinc/59/18/94/536591894.db2.gz BEFOBKPGNYDWAI-RYUDHWBXSA-N 2 0 212.337 1.239 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CC1(O)CCCCC1 ZINC000234713393 536593765 /nfs/dbraw/zinc/59/37/65/536593765.db2.gz BTMJQAYRTUEETK-GFCCVEGCSA-N 2 0 244.379 1.025 20 0 BDADRP CO[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)[C@H](C)C1 ZINC000261535411 536685002 /nfs/dbraw/zinc/68/50/02/536685002.db2.gz YJFYXVHBHSJJRY-DGCLKSJQSA-N 2 0 226.364 1.485 20 0 BDADRP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000261534124 536706250 /nfs/dbraw/zinc/70/62/50/536706250.db2.gz NKDGOGYIFYUITE-WUHRBBMRSA-N 2 0 226.364 1.661 20 0 BDADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089147304 536841044 /nfs/dbraw/zinc/84/10/44/536841044.db2.gz DWTKUMFZKIOOQC-UKRRQHHQSA-N 2 0 248.370 1.955 20 0 BDADRP COCCCCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351481778 536874785 /nfs/dbraw/zinc/87/47/85/536874785.db2.gz YFHJSOVEEIJCKE-AVGNSLFASA-N 2 0 226.364 1.472 20 0 BDADRP COc1ccc(C[NH2+][C@@H](C)CC[NH3+])cc1F ZINC000220542095 536896207 /nfs/dbraw/zinc/89/62/07/536896207.db2.gz CRIKKLDJWFKIIR-VIFPVBQESA-N 2 0 226.295 1.661 20 0 BDADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CC[C@@H]2C)CC1 ZINC000783226077 582949920 /nfs/dbraw/zinc/94/99/20/582949920.db2.gz ZIOJJKJLEJEIJF-MJBXVCDLSA-N 2 0 239.407 1.401 20 0 BDADRP C[NH2+]C[C@H](C)[NH2+][C@H]1CCC12CCOCC2 ZINC000854232252 588781522 /nfs/dbraw/zinc/78/15/22/588781522.db2.gz OQFHLBPQVGHAGU-QWRGUYRKSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@](O)(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000112466187 588799120 /nfs/dbraw/zinc/79/91/20/588799120.db2.gz TXBDVMGWAHOMOO-NFAWXSAZSA-N 2 0 246.354 1.045 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCCCCC[NH3+])CN1C1CC1 ZINC000843342773 582511044 /nfs/dbraw/zinc/51/10/44/582511044.db2.gz UKASBIQVPIAXMB-OLZOCXBDSA-N 2 0 239.407 1.720 20 0 BDADRP C[N@H+](CCOCC[NH3+])[C@@H]1C[C@H]1c1ccccc1 ZINC000846221343 582653341 /nfs/dbraw/zinc/65/33/41/582653341.db2.gz BZTNIGZXNAUHPD-UONOGXRCSA-N 2 0 234.343 1.450 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CC1(CO)CCCC1 ZINC000135062040 582656489 /nfs/dbraw/zinc/65/64/89/582656489.db2.gz WGOVSMHKIMPKID-OLZOCXBDSA-N 2 0 240.391 1.646 20 0 BDADRP CC[N@H+](C[C@H]1CCOC1)CC1CC[NH+](C)CC1 ZINC000891660188 582707008 /nfs/dbraw/zinc/70/70/08/582707008.db2.gz NFFIGSPHMYNIAX-CQSZACIVSA-N 2 0 240.391 1.687 20 0 BDADRP C[C@@H]1COCC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000892077250 582786274 /nfs/dbraw/zinc/78/62/74/582786274.db2.gz PLBOJVGDIQUSMU-LBPRGKRZSA-N 2 0 226.364 1.297 20 0 BDADRP CC(C)[C@@H](CNC1=[NH+]C[C@H](C)N1)[NH+]1CCCC1 ZINC000848984110 582816702 /nfs/dbraw/zinc/81/67/02/582816702.db2.gz PIZMEKPMBBZAOJ-NWDGAFQWSA-N 2 0 238.379 1.044 20 0 BDADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(F)F ZINC000849031688 582834121 /nfs/dbraw/zinc/83/41/21/582834121.db2.gz ZEURTPKZAHCCBV-VIFPVBQESA-N 2 0 248.321 1.240 20 0 BDADRP C[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)C1CC[NH+](C)CC1 ZINC000134643751 582945272 /nfs/dbraw/zinc/94/52/72/582945272.db2.gz XUTRRRSGTAFKSV-SGMGOOAPSA-N 2 0 238.375 1.243 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)COC(C)=O)C1 ZINC000892743852 582974336 /nfs/dbraw/zinc/97/43/36/582974336.db2.gz SUXQGQHBCRMQCV-WCQYABFASA-N 2 0 242.363 1.260 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)CC[NH+](C)C)[C@H]1OC ZINC000892762560 582977806 /nfs/dbraw/zinc/97/78/06/582977806.db2.gz FMTDPCMDEJXUML-FDYHWXHSSA-N 2 0 244.379 1.109 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@H](CCO)C2CC2)CC1 ZINC000893037361 583035276 /nfs/dbraw/zinc/03/52/76/583035276.db2.gz POPOAWIQJWHPER-ZDUSSCGKSA-N 2 0 226.364 1.079 20 0 BDADRP CN(CC[N@H+](C)C1CC1)c1cc[nH+]cc1CO ZINC000893228620 583075009 /nfs/dbraw/zinc/07/50/09/583075009.db2.gz KUGZEKAPLINLRF-UHFFFAOYSA-N 2 0 235.331 1.104 20 0 BDADRP C[NH+]1CCC(C[NH2+]CCNc2ccccn2)CC1 ZINC000893350093 583118563 /nfs/dbraw/zinc/11/85/63/583118563.db2.gz FZJSFNFHFDKVSZ-UHFFFAOYSA-N 2 0 248.374 1.425 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+]C[C@@H]1CCC=CO1 ZINC000219375317 583175426 /nfs/dbraw/zinc/17/54/26/583175426.db2.gz VBDQQSSJLNPTGJ-ZDUSSCGKSA-N 2 0 226.364 1.999 20 0 BDADRP CC(C)C[C@@H](O)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000222973168 583179690 /nfs/dbraw/zinc/17/96/90/583179690.db2.gz WSBQBTPOIZPWOF-TZMCWYRMSA-N 2 0 242.407 1.713 20 0 BDADRP C[C@H]1[C@H](C)[N@H+](CC2CC[NH+](C)CC2)CCN1C ZINC000893669601 583192310 /nfs/dbraw/zinc/19/23/10/583192310.db2.gz QTDNPNUPYZWYRM-STQMWFEESA-N 2 0 239.407 1.353 20 0 BDADRP OCC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000843340134 583214496 /nfs/dbraw/zinc/21/44/96/583214496.db2.gz IHNZYKNFTKEGGL-RQJABVFESA-N 2 0 238.375 1.125 20 0 BDADRP CN(CCC[NH+](C)C)CCNc1nccs1 ZINC000894521701 583476569 /nfs/dbraw/zinc/47/65/69/583476569.db2.gz RLAWYKWNVOZUHN-UHFFFAOYSA-N 2 0 242.392 1.439 20 0 BDADRP Cc1ncoc1CN1CCC[C@H]([NH+](C)C)CC1 ZINC000894565327 583484094 /nfs/dbraw/zinc/48/40/94/583484094.db2.gz DJHWIILWRCFVMC-LBPRGKRZSA-N 2 0 237.347 1.899 20 0 BDADRP Cc1coc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1 ZINC000894582369 583488153 /nfs/dbraw/zinc/48/81/53/583488153.db2.gz YIXLGBYYTDTXQL-TXEJJXNPSA-N 2 0 220.316 1.581 20 0 BDADRP CC(=O)OC[C@@H](C)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000894849250 583531881 /nfs/dbraw/zinc/53/18/81/583531881.db2.gz VEOAMZSTCJUUIV-SNVBAGLBSA-N 2 0 247.298 1.376 20 0 BDADRP CC(=O)OC[C@H](C)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000894860779 583534522 /nfs/dbraw/zinc/53/45/22/583534522.db2.gz GLMYAQCHULIUIW-AAEUAGOBSA-N 2 0 242.363 1.260 20 0 BDADRP CC[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H](O)C(C)C ZINC000894915419 583555275 /nfs/dbraw/zinc/55/52/75/583555275.db2.gz LFRWNFXHKIGCGV-KBPBESRZSA-N 2 0 242.407 1.713 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cnccn1 ZINC000894984870 583564300 /nfs/dbraw/zinc/56/43/00/583564300.db2.gz MPDDKDDRUVQEGF-QWHCGFSZSA-N 2 0 248.374 1.859 20 0 BDADRP C[NH+]1CCC(C[NH+]2CC(CC(F)F)C2)CC1 ZINC000895017241 583568812 /nfs/dbraw/zinc/56/88/12/583568812.db2.gz AGGMESOMRBMLCM-UHFFFAOYSA-N 2 0 232.318 1.915 20 0 BDADRP CC[C@@H](C[NH2+]C1CC[NH+](CC)CC1)C(=O)OC ZINC000895128612 583600086 /nfs/dbraw/zinc/60/00/86/583600086.db2.gz VRBRQVNGRVOMTL-NSHDSACASA-N 2 0 242.363 1.260 20 0 BDADRP CC(=O)OC[C@@H](C)[NH2+]CCC[N@@H+](C)CC(C)C ZINC000895136848 583602477 /nfs/dbraw/zinc/60/24/77/583602477.db2.gz LKRBKEFAKWUUBN-GFCCVEGCSA-N 2 0 244.379 1.506 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)CC1 ZINC000895185513 583618961 /nfs/dbraw/zinc/61/89/61/583618961.db2.gz NYMJJOZJGAYSEC-PHIMTYICSA-N 2 0 230.302 1.525 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2CCC(C)(O)CC2)C1 ZINC000895204621 583625045 /nfs/dbraw/zinc/62/50/45/583625045.db2.gz GLTUYFYKVFVFHM-GIPGFSNBSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@@H](CCNCc1cnc(C2CC2)o1)[NH+](C)C ZINC000895290779 583637458 /nfs/dbraw/zinc/63/74/58/583637458.db2.gz UGWCXRVUYAKLBN-JTQLQIEISA-N 2 0 237.347 1.982 20 0 BDADRP C[C@H](CCNCc1cnc(C2CC2)o1)[NH+](C)C ZINC000895290780 583637917 /nfs/dbraw/zinc/63/79/17/583637917.db2.gz UGWCXRVUYAKLBN-SNVBAGLBSA-N 2 0 237.347 1.982 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@]23C[C@H]2COC3(C)C)CC1 ZINC000895570810 583692287 /nfs/dbraw/zinc/69/22/87/583692287.db2.gz QCXGEVRKAMWAIM-GXTWGEPZSA-N 2 0 238.375 1.485 20 0 BDADRP C[N@@H+]1CC[C@H]1CNc1cc[nH+]cc1C(F)(F)F ZINC000895767571 583723048 /nfs/dbraw/zinc/72/30/48/583723048.db2.gz NXIDKCXVRLJVGX-QMMMGPOBSA-N 2 0 245.248 1.638 20 0 BDADRP CC[C@H](C)[C@H](C[NH2+][C@@H]1CCN(C)[C@@H]1C)OC ZINC000896555177 583811998 /nfs/dbraw/zinc/81/19/98/583811998.db2.gz NYOVFGXKYANQCK-LOWDOPEQSA-N 2 0 228.380 1.730 20 0 BDADRP C[NH2+][C@H](C)Cc1noc([C@H]2C[C@@H]([NH3+])C2(C)C)n1 ZINC000871788858 583943912 /nfs/dbraw/zinc/94/39/12/583943912.db2.gz OPQRRYLDBFQTNU-IWSPIJDZSA-N 2 0 238.335 1.061 20 0 BDADRP C[N@@H+](Cc1cccc(=O)[nH]1)CC1CC[NH+](C)CC1 ZINC000897391680 583948368 /nfs/dbraw/zinc/94/83/68/583948368.db2.gz XSHIPPCBDMBKLK-UHFFFAOYSA-N 2 0 249.358 1.561 20 0 BDADRP C[NH+](C)C1(CNc2cc[nH+]c(CO)c2)CCCC1 ZINC000858345983 588947605 /nfs/dbraw/zinc/94/76/05/588947605.db2.gz HNDMMFXWBLSUTA-UHFFFAOYSA-N 2 0 249.358 1.860 20 0 BDADRP OCc1cc(N[C@H]2CC[N@@H+](C3CC3)C2)cc[nH+]1 ZINC000858363028 588948661 /nfs/dbraw/zinc/94/86/61/588948661.db2.gz DJXQVRQIQRBTFR-NSHDSACASA-N 2 0 233.315 1.223 20 0 BDADRP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3CCSC3)C[C@]2(C)C1 ZINC000897620736 584032430 /nfs/dbraw/zinc/03/24/30/584032430.db2.gz XXSGSXAWEIAONH-XQQFMLRXSA-N 2 0 240.416 1.623 20 0 BDADRP OCc1cc(N2CC[C@@H]([NH+]3CC=CC3)C2)cc[nH+]1 ZINC000858426994 588953860 /nfs/dbraw/zinc/95/38/60/588953860.db2.gz VZUJBCDZYLFIFA-CQSZACIVSA-N 2 0 245.326 1.024 20 0 BDADRP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]C1CC(CCO)C1 ZINC000898008860 584070872 /nfs/dbraw/zinc/07/08/72/584070872.db2.gz XUGHHWRPGGYYFB-DLOFLVKXSA-N 2 0 238.375 1.220 20 0 BDADRP C[C@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(CCO)cc1 ZINC000898171370 584088992 /nfs/dbraw/zinc/08/89/92/584088992.db2.gz WQMHEEJOHWLMED-SWLSCSKDSA-N 2 0 248.370 1.261 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H](O)CC(C)(C)C2)CC[NH2+]1 ZINC000873221797 584127302 /nfs/dbraw/zinc/12/73/02/584127302.db2.gz QHHWARBPAOLLGI-UPJWGTAASA-N 2 0 240.391 1.467 20 0 BDADRP CC1(C)[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)[C@@H]2CCCO[C@@H]21 ZINC000873250067 584128016 /nfs/dbraw/zinc/12/80/16/584128016.db2.gz DDNZGMSXNNXQKH-OFTGVCEQSA-N 2 0 238.375 1.517 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)C1CC[NH2+]CC1 ZINC000873272984 584128543 /nfs/dbraw/zinc/12/85/43/584128543.db2.gz XWPAWUDGTVLWQB-SGMGOOAPSA-N 3 0 239.407 1.352 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000873282281 584129037 /nfs/dbraw/zinc/12/90/37/584129037.db2.gz SIZNVAMONOLIMY-WJTVCTBASA-N 2 0 226.364 1.659 20 0 BDADRP C[NH+](C)C1(CNc2cc[nH+]c(CO)c2)CCC1 ZINC000858506529 588961525 /nfs/dbraw/zinc/96/15/25/588961525.db2.gz URWSLMNYVBRNGP-UHFFFAOYSA-N 2 0 235.331 1.470 20 0 BDADRP C[C@@H](NC(=[NH2+])NCCCC[NH+](C)C)C1CC1 ZINC000899266023 584189505 /nfs/dbraw/zinc/18/95/05/584189505.db2.gz NQENWQRYIJALKP-SNVBAGLBSA-N 2 0 226.368 1.241 20 0 BDADRP CC[N@H+](CCNC(=[NH2+])N[C@@H](C)C1CC1)C(C)C ZINC000899265179 584189592 /nfs/dbraw/zinc/18/95/92/584189592.db2.gz SHJJHSAWYCBUAN-NSHDSACASA-N 2 0 240.395 1.629 20 0 BDADRP C[C@@H](NC(=[NH2+])NCCCn1ccnc1)C1CC1 ZINC000899263512 584190863 /nfs/dbraw/zinc/19/08/63/584190863.db2.gz AKPSJFSDDLQUSS-SNVBAGLBSA-N 2 0 235.335 1.186 20 0 BDADRP C[C@H]([NH3+])c1ccc(-c2cnn(C)c2C[NH3+])cc1F ZINC000899324428 584196535 /nfs/dbraw/zinc/19/65/35/584196535.db2.gz ZKUDBHFKLCMMBP-QMMMGPOBSA-N 2 0 248.305 1.705 20 0 BDADRP [NH3+][C@H]1Cc2ccc(C=C3C[NH2+]C3)cc2C1 ZINC000899328543 584197982 /nfs/dbraw/zinc/19/79/82/584197982.db2.gz VAVQOTJADTVEGJ-ZDUSSCGKSA-N 2 0 200.285 1.099 20 0 BDADRP [NH3+][C@@H]1CCc2cc(C=C3C[NH2+]C3)ccc2C1 ZINC000899327808 584198001 /nfs/dbraw/zinc/19/80/01/584198001.db2.gz HSTOLWSVHAXITK-CQSZACIVSA-N 2 0 214.312 1.489 20 0 BDADRP CC(C)C[C@@H]([NH3+])Cc1nc(C2([NH3+])CCC2)no1 ZINC000900009105 584265103 /nfs/dbraw/zinc/26/51/03/584265103.db2.gz USGQBDFFLPXBQU-SECBINFHSA-N 2 0 238.335 1.323 20 0 BDADRP CN1CC[C@@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902321358 584552714 /nfs/dbraw/zinc/55/27/14/584552714.db2.gz UVNQKOCWKJPEDI-VXGBXAGGSA-N 2 0 225.380 1.058 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H]2CCCO2)C1 ZINC000902317407 584556830 /nfs/dbraw/zinc/55/68/30/584556830.db2.gz JWZJIGHOKIPJBD-RYUDHWBXSA-N 2 0 226.364 1.533 20 0 BDADRP COC[C@@H](C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)OC ZINC000902369864 584566296 /nfs/dbraw/zinc/56/62/96/584566296.db2.gz MOXZNHBDRCLLON-VXGBXAGGSA-N 2 0 244.379 1.016 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H]2CC[C@@H](O)C2)C1 ZINC000902378162 584568536 /nfs/dbraw/zinc/56/85/36/584568536.db2.gz UOFKJXVPOPERIE-FRRDWIJNSA-N 2 0 240.391 1.515 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCc2ccncc2)C1 ZINC000902358546 584570634 /nfs/dbraw/zinc/57/06/34/584570634.db2.gz CJTLQNVWKAKMMA-AWEZNQCLSA-N 2 0 247.386 1.992 20 0 BDADRP [NH3+]C1(CN[C@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000902409195 584575386 /nfs/dbraw/zinc/57/53/86/584575386.db2.gz IZBFFYGNYLIPNG-STQMWFEESA-N 2 0 237.391 1.236 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902387797 584579791 /nfs/dbraw/zinc/57/97/91/584579791.db2.gz LLIPVSKTEWISJP-YNEHKIRRSA-N 2 0 240.391 1.922 20 0 BDADRP CC[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)C(C)(C)O ZINC000902388405 584580036 /nfs/dbraw/zinc/58/00/36/584580036.db2.gz PKQYKKSJPLAGOM-VXGBXAGGSA-N 2 0 242.407 1.904 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)C1CC1 ZINC000902389088 584580685 /nfs/dbraw/zinc/58/06/85/584580685.db2.gz RXXQWEBDJNIFKF-QWHCGFSZSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@H]([NH3+])[C@H](C)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902392063 584583034 /nfs/dbraw/zinc/58/30/34/584583034.db2.gz FBNXYCMJCQDGSQ-GARJFASQSA-N 2 0 213.369 1.090 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902394801 584584698 /nfs/dbraw/zinc/58/46/98/584584698.db2.gz DHRWIIVPGFOGSZ-RWMBFGLXSA-N 2 0 239.407 1.495 20 0 BDADRP CC[C@@H](O)C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902400984 584587620 /nfs/dbraw/zinc/58/76/20/584587620.db2.gz ZBRMZTCHANSTIV-GHMZBOCLSA-N 2 0 214.353 1.125 20 0 BDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NCC1([NH3+])CC1 ZINC000902403771 584587983 /nfs/dbraw/zinc/58/79/83/584587983.db2.gz BCXHNIMNHRQQBM-VXGBXAGGSA-N 2 0 225.380 1.378 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C1 ZINC000902403185 584588369 /nfs/dbraw/zinc/58/83/69/584588369.db2.gz DNPXWJGQMFMNGE-SRVKXCTJSA-N 3 0 225.380 1.092 20 0 BDADRP COC[C@@H](CC(C)C)[NH2+]CC1([NH3+])CC1 ZINC000902416335 584590241 /nfs/dbraw/zinc/59/02/41/584590241.db2.gz MYJSTEKLLBHQTK-SNVBAGLBSA-N 2 0 200.326 1.128 20 0 BDADRP CCCC[C@@H](COC)[NH2+]CC1([NH3+])CC1 ZINC000902416994 584591283 /nfs/dbraw/zinc/59/12/83/584591283.db2.gz QSJADBXRKHWPHL-JTQLQIEISA-N 2 0 200.326 1.273 20 0 BDADRP CC(C)(C)[NH+]1CCC([NH2+]CCCON)CC1 ZINC000902417188 584591362 /nfs/dbraw/zinc/59/13/62/584591362.db2.gz GUSNFRVUKZOZEF-UHFFFAOYSA-N 2 0 229.368 1.119 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CCCC[C@@H]2O)C1 ZINC000902428338 584594827 /nfs/dbraw/zinc/59/48/27/584594827.db2.gz CEXPHKXXUFQPGP-DGAVXFQQSA-N 2 0 240.391 1.787 20 0 BDADRP [NH3+][C@@H]1c2ccccc2C[C@H]1N[C@H]1CCC[C@@H]1[NH3+] ZINC000902430037 584594973 /nfs/dbraw/zinc/59/49/73/584594973.db2.gz CCSPXOJUUIHTON-IGQOVBAYSA-N 2 0 231.343 1.081 20 0 BDADRP [NH3+][C@@H]1c2ccccc2C[C@H]1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000902436125 584596730 /nfs/dbraw/zinc/59/67/30/584596730.db2.gz XIPDBVPWPICUJF-QHSBEEBCSA-N 2 0 245.370 1.471 20 0 BDADRP [NH3+]C1(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)CC1 ZINC000902413274 584599707 /nfs/dbraw/zinc/59/97/07/584599707.db2.gz JQEKYOFGLWMHGR-BBBLOLIVSA-N 2 0 244.429 1.447 20 0 BDADRP C[C@@H]1C[C@@H](N[C@@H]2C[NH2+]CC2(C)C)C[N@@H+]1C1CC1 ZINC000902448953 584605580 /nfs/dbraw/zinc/60/55/80/584605580.db2.gz KBLOOKQGZPZWDJ-NQBHXWOUSA-N 2 0 237.391 1.199 20 0 BDADRP COCCC[C@H](C)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902450131 584606206 /nfs/dbraw/zinc/60/62/06/584606206.db2.gz RBJBHHNWCMXCGW-QWRGUYRKSA-N 2 0 214.353 1.389 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H]21 ZINC000902455832 584609141 /nfs/dbraw/zinc/60/91/41/584609141.db2.gz NEGHSZJJIWHJFS-KXNHARMFSA-N 2 0 208.349 1.905 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C)c1cncs1 ZINC000902456391 584610263 /nfs/dbraw/zinc/61/02/63/584610263.db2.gz ONPVSRYJDUDCNX-YIZRAAEISA-N 2 0 213.350 1.920 20 0 BDADRP CC1(C)CC[N@H+](CCN[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000902457013 584610487 /nfs/dbraw/zinc/61/04/87/584610487.db2.gz RQKOVOFPVBSZSZ-VXGBXAGGSA-N 2 0 225.380 1.188 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000902458528 584610865 /nfs/dbraw/zinc/61/08/65/584610865.db2.gz VOKJLUOZLRFZGH-IEECTRCBSA-N 2 0 208.349 1.892 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@H]1CC1(C)C ZINC000902464787 584613379 /nfs/dbraw/zinc/61/33/79/584613379.db2.gz CPXVQSGEWPPYEL-MTVMDMGHSA-N 2 0 208.349 1.904 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@@H]1CC1(C)C ZINC000902464784 584613567 /nfs/dbraw/zinc/61/35/67/584613567.db2.gz CPXVQSGEWPPYEL-KZZRWZIVSA-N 2 0 208.349 1.904 20 0 BDADRP [NH3+][C@@H]1C[C@@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c2ccccc21 ZINC000902465677 584613706 /nfs/dbraw/zinc/61/37/06/584613706.db2.gz HWFPTYHXSKXUSG-SWMGHYKJSA-N 2 0 243.354 1.614 20 0 BDADRP C1C[C@@H]2C[C@H](N[C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)CC[N@@H+]2C1 ZINC000902470848 584616422 /nfs/dbraw/zinc/61/64/22/584616422.db2.gz HRZQXTNTZMTROF-RYMFRWLXSA-N 2 0 235.375 1.096 20 0 BDADRP CC[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)[C@@H]1CCOC1 ZINC000902489993 584617585 /nfs/dbraw/zinc/61/75/85/584617585.db2.gz QOQXMYWDQDJPIL-DDHJBXDOSA-N 2 0 212.337 1.128 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C1 ZINC000902491281 584617967 /nfs/dbraw/zinc/61/79/67/584617967.db2.gz WVKUCTKPEGMCDT-BJDJZHNGSA-N 3 0 225.380 1.219 20 0 BDADRP C[C@@H]1CC=CC[C@H]1[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000902504269 584621519 /nfs/dbraw/zinc/62/15/19/584621519.db2.gz NGEXVCZRZVAHNH-JPVAKHQASA-N 2 0 232.371 1.927 20 0 BDADRP Cc1ncccc1CC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000902511094 584622892 /nfs/dbraw/zinc/62/28/92/584622892.db2.gz BUTPTIXSYTWZKY-WDEREUQCSA-N 2 0 221.348 1.648 20 0 BDADRP Cc1ncccc1CC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000902512731 584623527 /nfs/dbraw/zinc/62/35/27/584623527.db2.gz IZYYKKBWWRVAAP-ZIAGYGMSSA-N 2 0 245.370 1.792 20 0 BDADRP C[C@@H](NC[C@H]1CCCCC[NH2+]1)c1c[nH+]ccc1N ZINC000902483255 584624369 /nfs/dbraw/zinc/62/43/69/584624369.db2.gz QDKLCNCLJARSRT-VXGBXAGGSA-N 2 0 248.374 1.677 20 0 BDADRP CC1(C)[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)[C@@H]2CCCO[C@H]21 ZINC000902485527 584625227 /nfs/dbraw/zinc/62/52/27/584625227.db2.gz LSULFODUTQZPEU-JZRPKSSGSA-N 2 0 238.375 1.517 20 0 BDADRP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)C1CCSCC1 ZINC000902487242 584626000 /nfs/dbraw/zinc/62/60/00/584626000.db2.gz SENQNFDFTBAQMQ-CKYFFXLPSA-N 2 0 228.405 1.845 20 0 BDADRP C[NH+]1CCC(NC[C@H]2CCCCC[NH2+]2)CC1 ZINC000902488962 584627283 /nfs/dbraw/zinc/62/72/83/584627283.db2.gz PFPSYNUBHRMAKG-CYBMUJFWSA-N 2 0 225.380 1.202 20 0 BDADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H]2CCCSC2)C1 ZINC000902488755 584627683 /nfs/dbraw/zinc/62/76/83/584627683.db2.gz NNUBTNLVBDPGHD-GUBZILKMSA-N 2 0 200.351 1.209 20 0 BDADRP Cc1ncccc1CC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000902513892 584629183 /nfs/dbraw/zinc/62/91/83/584629183.db2.gz PESVUIRWWLEFFD-KBPBESRZSA-N 2 0 233.359 1.650 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C/C=C\Cl ZINC000902516740 584630152 /nfs/dbraw/zinc/63/01/52/584630152.db2.gz FSJSJOLRBCMPGW-AIYYXKJWSA-N 2 0 218.728 1.081 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCOC1CCSCC1 ZINC000902521395 584631497 /nfs/dbraw/zinc/63/14/97/584631497.db2.gz RXUXKUPZUODSHN-WDEREUQCSA-N 2 0 246.420 1.614 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]1OC ZINC000903067369 584723352 /nfs/dbraw/zinc/72/33/52/584723352.db2.gz SEORFMNHNWIYRG-OLZOCXBDSA-N 2 0 244.379 1.112 20 0 BDADRP C[C@H]1COC[C@H]1[NH2+]CCN1CCC(C)(C)C1 ZINC000903345698 584752942 /nfs/dbraw/zinc/75/29/42/584752942.db2.gz YUOXQDWWXDSOBT-NWDGAFQWSA-N 2 0 226.364 1.343 20 0 BDADRP C([C@H]1CCC[NH2+]1)[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000903441427 584763542 /nfs/dbraw/zinc/76/35/42/584763542.db2.gz RPMHWGHIFJKOQQ-UPJWGTAASA-N 2 0 224.348 1.239 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)C1 ZINC000903441456 584763811 /nfs/dbraw/zinc/76/38/11/584763811.db2.gz SZLQTTFFSMPUCQ-DGAVXFQQSA-N 2 0 238.375 1.615 20 0 BDADRP CC(C)[C@H]([NH3+])CCN(C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903425026 584765413 /nfs/dbraw/zinc/76/54/13/584765413.db2.gz PAIZDMXHNMNOGC-FRRDWIJNSA-N 2 0 227.396 1.147 20 0 BDADRP C[C@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H]1C[NH3+] ZINC000903458834 584765701 /nfs/dbraw/zinc/76/57/01/584765701.db2.gz LIJZXANOKKIXBT-LOWDOPEQSA-N 3 0 225.380 1.031 20 0 BDADRP C[C@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H]1CC[NH3+] ZINC000903461188 584766426 /nfs/dbraw/zinc/76/64/26/584766426.db2.gz OWEMMNFNNWDYCU-RFQIPJPRSA-N 3 0 239.407 1.563 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN1C[C@@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000903459852 584766612 /nfs/dbraw/zinc/76/66/12/584766612.db2.gz OVAVIKYQNSKGON-RGDJUOJXSA-N 2 0 239.407 1.147 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN1C[C@@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000903459850 584766920 /nfs/dbraw/zinc/76/69/20/584766920.db2.gz OVAVIKYQNSKGON-KSTCHIGDSA-N 2 0 239.407 1.147 20 0 BDADRP C[C@H](CO)[C@@H]1CCCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903464077 584767314 /nfs/dbraw/zinc/76/73/14/584767314.db2.gz YTUNUXHDOPTOQO-MQYQWHSLSA-N 2 0 240.391 1.325 20 0 BDADRP CC[C@@H]1C[C@H]1C[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000903464943 584767646 /nfs/dbraw/zinc/76/76/46/584767646.db2.gz ZWKZIOGTECERQO-XQHKEYJVSA-N 2 0 208.349 1.846 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000903464376 584767956 /nfs/dbraw/zinc/76/79/56/584767956.db2.gz LBMVATMMDMXMFV-RDBSUJKOSA-N 2 0 238.375 1.344 20 0 BDADRP C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCN(C2CC2)C1 ZINC000903443990 584768509 /nfs/dbraw/zinc/76/85/09/584768509.db2.gz MAUAGPAFFDEJMD-MBNYWOFBSA-N 2 0 237.391 1.282 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903445362 584769369 /nfs/dbraw/zinc/76/93/69/584769369.db2.gz JASVSIBHLFAREE-MCIONIFRSA-N 3 0 239.407 1.387 20 0 BDADRP C[C@H]1C[C@H]([N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)CCN1C ZINC000903444252 584769459 /nfs/dbraw/zinc/76/94/59/584769459.db2.gz QYTHUZANOOOYMO-RFQIPJPRSA-N 2 0 239.407 1.528 20 0 BDADRP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)CCN1C ZINC000903444253 584769752 /nfs/dbraw/zinc/76/97/52/584769752.db2.gz QYTHUZANOOOYMO-YIYPIFLZSA-N 2 0 239.407 1.528 20 0 BDADRP C(C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)OC1CC1 ZINC000903453988 584773012 /nfs/dbraw/zinc/77/30/12/584773012.db2.gz QTEUSEYRRLFQQM-CHWSQXEVSA-N 2 0 238.375 1.487 20 0 BDADRP C(C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)OC1CC1 ZINC000903454448 584773258 /nfs/dbraw/zinc/77/32/58/584773258.db2.gz ZWSXQYQELAFJEZ-GXTWGEPZSA-N 2 0 238.375 1.629 20 0 BDADRP COCCCCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903469956 584774756 /nfs/dbraw/zinc/77/47/56/584774756.db2.gz DPWXGJMTZDAEKS-GFCCVEGCSA-N 2 0 226.364 1.677 20 0 BDADRP C=C/C=C\CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903470997 584775195 /nfs/dbraw/zinc/77/51/95/584775195.db2.gz GDAMBFUJTIKWEP-VSQXVHSFSA-N 2 0 206.333 1.993 20 0 BDADRP CN(C[C@H]1CCC[NH2+]1)C1(C[NH3+])CCCCC1 ZINC000903482274 584778898 /nfs/dbraw/zinc/77/88/98/584778898.db2.gz ABHHZOKOWPVNDO-GFCCVEGCSA-N 2 0 225.380 1.332 20 0 BDADRP C([NH2+][C@@H]1CC[NH2+]C12CCCC2)[C@@H]1CCOC1 ZINC000903484451 584779376 /nfs/dbraw/zinc/77/93/76/584779376.db2.gz RMTCLUSGTWBVPM-NWDGAFQWSA-N 2 0 224.348 1.287 20 0 BDADRP [NH3+]CCCCCCC[N@@H+]1CCC[C@@H]1CO ZINC000903490988 584780779 /nfs/dbraw/zinc/78/07/79/584780779.db2.gz PYGUMAZWKHKCQO-GFCCVEGCSA-N 2 0 214.353 1.352 20 0 BDADRP [NH3+]CCC[N@@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000903491075 584780873 /nfs/dbraw/zinc/78/08/73/584780873.db2.gz UIWLVYIZRVZYCC-QMMMGPOBSA-N 2 0 240.244 1.702 20 0 BDADRP CC(C)(C)OC[C@H]1CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000903563677 584782036 /nfs/dbraw/zinc/78/20/36/584782036.db2.gz IOEFPVSRINWHQK-QWHCGFSZSA-N 2 0 240.391 1.875 20 0 BDADRP CC1(C)CN(Cc2ccc3c(c2)COC3)C[C@@H]1[NH3+] ZINC000903557479 584782730 /nfs/dbraw/zinc/78/27/30/584782730.db2.gz OIPYZYLZXOLUTL-AWEZNQCLSA-N 2 0 246.354 1.886 20 0 BDADRP [NH3+]CCCN1C[C@@H](C[NH3+])Cc2cc(F)ccc21 ZINC000903568171 584783487 /nfs/dbraw/zinc/78/34/87/584783487.db2.gz JNXFBWXBDKBXFZ-SNVBAGLBSA-N 2 0 237.322 1.112 20 0 BDADRP CCCC[N@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717403 584792545 /nfs/dbraw/zinc/79/25/45/584792545.db2.gz QIEYCPARHRVBGO-ZDUSSCGKSA-N 2 0 240.391 1.877 20 0 BDADRP CC[N@H+](CC1CC1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903729916 584793057 /nfs/dbraw/zinc/79/30/57/584793057.db2.gz SNEOCYLGMWXTJK-ZIAGYGMSSA-N 2 0 238.375 1.487 20 0 BDADRP OCCCC[N@H+](C[C@@H]1CCCC[NH2+]C1)C1CC1 ZINC000903729567 584793124 /nfs/dbraw/zinc/79/31/24/584793124.db2.gz OVSCNDGNWCSIBU-CYBMUJFWSA-N 2 0 240.391 1.613 20 0 BDADRP C[C@H]1CC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903727157 584793130 /nfs/dbraw/zinc/79/31/30/584793130.db2.gz RFSTZJPPBFGKEH-QWHCGFSZSA-N 2 0 238.375 1.487 20 0 BDADRP [NH3+]C[C@H]1CCCN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000903712853 584793592 /nfs/dbraw/zinc/79/35/92/584793592.db2.gz AHWURRCVQUOMIB-OLZOCXBDSA-N 2 0 225.380 1.047 20 0 BDADRP C[NH2+]C[C@H]1CCCN(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903713670 584793632 /nfs/dbraw/zinc/79/36/32/584793632.db2.gz YZTMRKSMFKYFFG-ZIAGYGMSSA-N 2 0 239.407 1.308 20 0 BDADRP C[C@@H]1CN(C[C@@H]2CCCC[NH2+]C2)CC[C@H]1[NH3+] ZINC000903715818 584793969 /nfs/dbraw/zinc/79/39/69/584793969.db2.gz AHDHOWXHVMLKHT-JHJVBQTASA-N 2 0 225.380 1.045 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCCN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000903715872 584794026 /nfs/dbraw/zinc/79/40/26/584794026.db2.gz BBDQNLABSKWBAP-IHRRRGAJSA-N 2 0 239.407 1.435 20 0 BDADRP C([C@H]1CCCC[NH2+]C1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000903749873 584794905 /nfs/dbraw/zinc/79/49/05/584794905.db2.gz RCZOBEAFQUGRRI-MELADBBJSA-N 2 0 237.391 1.060 20 0 BDADRP C(N[C@H]1CC[NH2+]C12CCC2)[C@H]1CCCC[NH2+]C1 ZINC000903769849 584797815 /nfs/dbraw/zinc/79/78/15/584797815.db2.gz PMHUJNLLPXFATC-STQMWFEESA-N 2 0 237.391 1.250 20 0 BDADRP CC(C)[C@H]1C[NH2+]CCN1C[C@@H]1CCCC[NH2+]C1 ZINC000903769789 584798028 /nfs/dbraw/zinc/79/80/28/584798028.db2.gz ODDYCSFAWVEVQY-ZIAGYGMSSA-N 2 0 239.407 1.306 20 0 BDADRP C[C@@H](O)C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793876 584798891 /nfs/dbraw/zinc/79/88/91/584798891.db2.gz WQNLMEFDVOUVKZ-CYBMUJFWSA-N 2 0 248.370 1.360 20 0 BDADRP CC1CC(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000903775829 584799393 /nfs/dbraw/zinc/79/93/93/584799393.db2.gz OUMLBJHMCZTCNJ-LLZFXZEUSA-N 2 0 222.376 1.964 20 0 BDADRP FC[C@@H]1CC[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903781971 584799805 /nfs/dbraw/zinc/79/98/05/584799805.db2.gz CCRKTFMLJVZRIL-YNEHKIRRSA-N 2 0 242.338 1.046 20 0 BDADRP CC1(C)CN(C[C@@H]2CCCC[NH2+]C2)C[C@H]1[NH3+] ZINC000903786170 584800284 /nfs/dbraw/zinc/80/02/84/584800284.db2.gz FUXULMYEZXZCAV-VXGBXAGGSA-N 2 0 225.380 1.045 20 0 BDADRP FC1CC[NH+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903783432 584800382 /nfs/dbraw/zinc/80/03/82/584800382.db2.gz YRUONBREWIOLHL-STQMWFEESA-N 2 0 242.338 1.189 20 0 BDADRP CCCC[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903812933 584803326 /nfs/dbraw/zinc/80/33/26/584803326.db2.gz BJLSPKINAISJJB-UHFFFAOYSA-N 2 0 226.364 1.631 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CCCSC[C@@H]1C1CC1 ZINC000903827486 584804809 /nfs/dbraw/zinc/80/48/09/584804809.db2.gz UKHOOTCIMOQBHG-GFCCVEGCSA-N 2 0 244.404 1.179 20 0 BDADRP C[C@@H]1CSCCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000903829355 584805706 /nfs/dbraw/zinc/80/57/06/584805706.db2.gz DOHXCEPKLSUFAC-VXGBXAGGSA-N 2 0 228.405 1.813 20 0 BDADRP [NH3+]CCCCCCC[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000903840495 584807251 /nfs/dbraw/zinc/80/72/51/584807251.db2.gz RILNTFGKSXCMIB-VXGBXAGGSA-N 2 0 232.343 1.300 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869957 584814373 /nfs/dbraw/zinc/81/43/73/584814373.db2.gz LCQMXGSLPKSMMY-AVGNSLFASA-N 2 0 224.348 1.239 20 0 BDADRP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000903872742 584815220 /nfs/dbraw/zinc/81/52/20/584815220.db2.gz BHMLRHFFPCLCRN-ZKXZWOTCSA-N 3 0 249.402 1.343 20 0 BDADRP CCCN(C[C@@H]([NH3+])CC(F)F)[C@H]1CC[NH2+]C1 ZINC000903873835 584815782 /nfs/dbraw/zinc/81/57/82/584815782.db2.gz MOMMSLJZAFVHNK-UWVGGRQHSA-N 2 0 235.322 1.043 20 0 BDADRP [NH3+][C@H](CC(F)F)CN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000903873871 584815882 /nfs/dbraw/zinc/81/58/82/584815882.db2.gz MYVSNDHQUDZAFF-VLEAKVRGSA-N 2 0 247.333 1.028 20 0 BDADRP Cc1c(C[C@H](C[NH3+])C[N@@H+](C)C(C)C)cnn1C ZINC000903873632 584816116 /nfs/dbraw/zinc/81/61/16/584816116.db2.gz VXZSVQWMXPNBCD-GFCCVEGCSA-N 2 0 238.379 1.186 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000903874478 584816357 /nfs/dbraw/zinc/81/63/57/584816357.db2.gz BQXLDRJMAQMPEU-KBPBESRZSA-N 2 0 240.391 1.735 20 0 BDADRP C[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)CC1CC1 ZINC000903886289 584819122 /nfs/dbraw/zinc/81/91/22/584819122.db2.gz OOCXCNQSYKFLHI-LBPRGKRZSA-N 2 0 249.362 1.044 20 0 BDADRP CC[N@H+](C)C[C@@H]1CCN(C[C@H]([NH3+])CC(F)F)C1 ZINC000903897968 584819791 /nfs/dbraw/zinc/81/97/91/584819791.db2.gz KTOIHFDSWJFSSV-WDEREUQCSA-N 2 0 249.349 1.243 20 0 BDADRP CC[NH2+][C@H](C)CNCc1cccc2c1CC[NH2+]C2 ZINC000903918693 584822451 /nfs/dbraw/zinc/82/24/51/584822451.db2.gz FLGKMDVPNDMDDS-GFCCVEGCSA-N 2 0 247.386 1.420 20 0 BDADRP CC[C@@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1O ZINC000903912208 584822540 /nfs/dbraw/zinc/82/25/40/584822540.db2.gz BNMFNYKFELLIAB-ZGHZMMAESA-N 2 0 238.375 1.220 20 0 BDADRP C[C@H]1CCNC[C@@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903919894 584823133 /nfs/dbraw/zinc/82/31/33/584823133.db2.gz QBXIYMFCFOCSGF-WYTNZGFTSA-N 2 0 237.391 1.105 20 0 BDADRP C[C@@H]([NH3+])[C@H](C)NCc1cccc2c1CC[NH2+]C2 ZINC000903920512 584823241 /nfs/dbraw/zinc/82/32/41/584823241.db2.gz VMCQAJIKTUZYLX-MNOVXSKESA-N 2 0 233.359 1.158 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CNC[C@@H]([NH3+])CC(F)F ZINC000903923146 584823465 /nfs/dbraw/zinc/82/34/65/584823465.db2.gz MNHOASYSHNPUSF-WDEREUQCSA-N 2 0 249.349 1.433 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903923152 584823470 /nfs/dbraw/zinc/82/34/70/584823470.db2.gz MUPQIRQRNPUSBI-RLAWYHOSSA-N 2 0 248.374 1.392 20 0 BDADRP CC(C)([NH3+])CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000903939276 584823489 /nfs/dbraw/zinc/82/34/89/584823489.db2.gz FGFVBAYEYZUQFY-XQQFMLRXSA-N 2 0 239.407 1.624 20 0 BDADRP CCn1nc(C)c(C[NH2+]CCC(C)(C)[NH3+])c1C ZINC000903938853 584824208 /nfs/dbraw/zinc/82/42/08/584824208.db2.gz NHLVNCAYBGPNHR-UHFFFAOYSA-N 2 0 238.379 1.737 20 0 BDADRP [NH3+][C@]12CCC[C@@H]1C[N@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903934013 584824794 /nfs/dbraw/zinc/82/47/94/584824794.db2.gz YWCVWBGVZOPFFJ-IWNKAIHXSA-N 2 0 249.402 1.330 20 0 BDADRP C[C@H](O)C[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000903932836 584824915 /nfs/dbraw/zinc/82/49/15/584824915.db2.gz WHPRWFLPGDPNDA-WODVXLOZSA-N 2 0 238.375 1.362 20 0 BDADRP [NH3+][C@H](CN[C@@H]1CC[NH2+]C12CCCC2)CC(F)F ZINC000903932876 584824999 /nfs/dbraw/zinc/82/49/99/584824999.db2.gz WVXNPAYCIZHWTI-VHSXEESVSA-N 2 0 247.333 1.233 20 0 BDADRP CC1(C)OC[C@@H]2C[C@@]21[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903935160 584825891 /nfs/dbraw/zinc/82/58/91/584825891.db2.gz ONMQACBKELAITH-VAOFZXAKSA-N 2 0 234.290 1.126 20 0 BDADRP C[C@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)CN1 ZINC000903917954 584827056 /nfs/dbraw/zinc/82/70/56/584827056.db2.gz PFODJWTZDCXGRX-WSOGJNRSSA-N 2 0 237.391 1.199 20 0 BDADRP CC[NH2+]CCNCc1cccc2c1CC[NH2+]C2 ZINC000903918137 584827101 /nfs/dbraw/zinc/82/71/01/584827101.db2.gz SXTNAFXCZYELQV-UHFFFAOYSA-N 2 0 233.359 1.031 20 0 BDADRP CCC1([NH3+])CCN(C[C@H](C[NH3+])C(C)C)CC1 ZINC000903948168 584830114 /nfs/dbraw/zinc/83/01/14/584830114.db2.gz MJBNHXWFSWVSFO-LBPRGKRZSA-N 2 0 227.396 1.421 20 0 BDADRP CCC1([NH3+])CCN(C[C@H]([NH3+])CC(C)C)CC1 ZINC000903948202 584830256 /nfs/dbraw/zinc/83/02/56/584830256.db2.gz NGMANUCNNIFDSG-GFCCVEGCSA-N 2 0 227.396 1.563 20 0 BDADRP C[N@H+](CCCC[NH+]1CCCCC1)CC(C)(C)[NH3+] ZINC000903949137 584830400 /nfs/dbraw/zinc/83/04/00/584830400.db2.gz YRTFBCSXLMAODO-UHFFFAOYSA-N 2 0 241.423 1.922 20 0 BDADRP CCC1([NH3+])CCN(C[C@@H]([NH3+])CC(C)C)CC1 ZINC000903948203 584830432 /nfs/dbraw/zinc/83/04/32/584830432.db2.gz NGMANUCNNIFDSG-LBPRGKRZSA-N 2 0 227.396 1.563 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cccc(O)c1 ZINC000903974531 584832527 /nfs/dbraw/zinc/83/25/27/584832527.db2.gz PYHNYVKNLVOPDF-DGCLKSJQSA-N 2 0 234.343 1.727 20 0 BDADRP C[C@@H]1C[N@H+](CC2(F)CC2)C[C@H]1CC[NH3+] ZINC000903978589 584833207 /nfs/dbraw/zinc/83/32/07/584833207.db2.gz SNYMTAXRAKCWRN-NXEZZACHSA-N 2 0 200.301 1.405 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+][C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000903963713 584833583 /nfs/dbraw/zinc/83/35/83/584833583.db2.gz GQBSOCMSMBEXFO-FDYHWXHSSA-N 2 0 226.364 1.389 20 0 BDADRP CC[N@@H+]1CC[C@@H](NC[C@@H]2C[NH2+]C[C@H]2C)[C@H](C)C1 ZINC000903967337 584834891 /nfs/dbraw/zinc/83/48/91/584834891.db2.gz HMOONSDVPNVLFM-YIYPIFLZSA-N 2 0 239.407 1.162 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000903986160 584835646 /nfs/dbraw/zinc/83/56/46/584835646.db2.gz HAZYYCONARHXRP-UPJWGTAASA-N 2 0 226.364 1.517 20 0 BDADRP [NH3+]Cc1ccc(CN2CCCC[C@@H]2C[NH3+])cc1 ZINC000904299877 584860533 /nfs/dbraw/zinc/86/05/33/584860533.db2.gz QKRQMJKVVJNJEU-CQSZACIVSA-N 3 0 233.359 1.459 20 0 BDADRP [NH3+]Cc1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC000904300138 584861221 /nfs/dbraw/zinc/86/12/21/584861221.db2.gz XAHLWVFGXOMKKM-UHFFFAOYSA-N 3 0 219.332 1.068 20 0 BDADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccc(C[NH3+])cc1 ZINC000904300761 584861535 /nfs/dbraw/zinc/86/15/35/584861535.db2.gz AHGXREDPFZSUIH-HNNXBMFYSA-N 3 0 249.402 1.951 20 0 BDADRP C[C@@]1(C[NH+]2CCC(CO)CC2)CCC[NH2+]C1 ZINC000904306693 584862015 /nfs/dbraw/zinc/86/20/15/584862015.db2.gz CYSFISOCADANRR-CYBMUJFWSA-N 2 0 226.364 1.080 20 0 BDADRP CCCCC[N@H+](CCO)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904307072 584862376 /nfs/dbraw/zinc/86/23/76/584862376.db2.gz KASOXMPRONLBQH-TXEJJXNPSA-N 2 0 214.353 1.208 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)C1 ZINC000904312740 584863612 /nfs/dbraw/zinc/86/36/12/584863612.db2.gz SBJCRTATKYRLOT-SDDRHHMPSA-N 2 0 234.347 1.326 20 0 BDADRP CCOC(=O)CC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000904313635 584863634 /nfs/dbraw/zinc/86/36/34/584863634.db2.gz IQUFGCNOZVQDSA-PHIMTYICSA-N 2 0 240.347 1.141 20 0 BDADRP C[C@H](O)C[C@H]1CCC[N@@H+]1C[C@]1(C)CCC[NH2+]C1 ZINC000904321940 584864750 /nfs/dbraw/zinc/86/47/50/584864750.db2.gz KXNCWNHRFDHVNY-BFHYXJOUSA-N 2 0 240.391 1.611 20 0 BDADRP CC[N@H+](CCc1nccs1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904325121 584865367 /nfs/dbraw/zinc/86/53/67/584865367.db2.gz PRJVKYVPRUMUDJ-PHIMTYICSA-N 2 0 239.388 1.745 20 0 BDADRP C[C@H](O)[C@H]1CCC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904328238 584865549 /nfs/dbraw/zinc/86/55/49/584865549.db2.gz BSFIKTOZJSTUDJ-IHRRRGAJSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](C)N1C[C@@H]([NH3+])CCC(C)(C)C ZINC000904332224 584865902 /nfs/dbraw/zinc/86/59/02/584865902.db2.gz OTHGAZXBNMWHMV-XQQFMLRXSA-N 2 0 241.423 1.822 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC(c3cn[nH]c3)CC2)C1 ZINC000904336008 584866558 /nfs/dbraw/zinc/86/65/58/584866558.db2.gz LLMXEUMSENDOTI-GSJFWJNXSA-N 2 0 234.347 1.326 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CN1CCC(C)([NH3+])CC1 ZINC000904334462 584866856 /nfs/dbraw/zinc/86/68/56/584866856.db2.gz WQCHRXKETSHQMS-LBPRGKRZSA-N 2 0 241.423 1.953 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@H+](CC2CC2)C2CCC2)C1 ZINC000904341622 584867216 /nfs/dbraw/zinc/86/72/16/584867216.db2.gz RDRFVESEWBMEFK-TXEJJXNPSA-N 2 0 208.349 1.988 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@@H](C3CCOCC3)C2)C1 ZINC000904342320 584867488 /nfs/dbraw/zinc/86/74/88/584867488.db2.gz CXFUOFFTRBEXCP-BNOWGMLFSA-N 2 0 238.375 1.472 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1C ZINC000904340918 584867570 /nfs/dbraw/zinc/86/75/70/584867570.db2.gz NVXSRQIGLXFUIF-YIYPIFLZSA-N 3 0 239.407 1.528 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@@H]2C2CCOCC2)C1 ZINC000904346141 584868357 /nfs/dbraw/zinc/86/83/57/584868357.db2.gz PNAFZQGUQQRFKM-KWCYVHTRSA-N 2 0 238.375 1.615 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CN[C@H](C[NH3+])C1CC1 ZINC000904350434 584868735 /nfs/dbraw/zinc/86/87/35/584868735.db2.gz LIBBOPCIMTVQHF-NWDGAFQWSA-N 2 0 227.396 1.467 20 0 BDADRP C[C@@H]1CN(Cc2ccc(C[NH3+])cc2)[C@@H](C)C[NH2+]1 ZINC000904349809 584868886 /nfs/dbraw/zinc/86/88/86/584868886.db2.gz CKICVZCFUYDBFH-NEPJUHHUSA-N 2 0 233.359 1.328 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000904353591 584869740 /nfs/dbraw/zinc/86/97/40/584869740.db2.gz OFPKNLNJYLVEDQ-OLZOCXBDSA-N 2 0 241.423 1.729 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CN[C@@H]1CC[NH2+]C1 ZINC000904353060 584869945 /nfs/dbraw/zinc/86/99/45/584869945.db2.gz HDUVWYNEVSOKMQ-WDEREUQCSA-N 2 0 213.369 1.092 20 0 BDADRP C[C@]1(C[NH2+]CCC[C@H]2CCC[NH2+]2)CCC[NH2+]C1 ZINC000904354208 584870172 /nfs/dbraw/zinc/87/01/72/584870172.db2.gz CXFXUVCKNSQMQL-UONOGXRCSA-N 3 0 239.407 1.498 20 0 BDADRP [NH3+]Cc1ccc(CNCC2([NH3+])CCC2)cc1 ZINC000904354030 584870290 /nfs/dbraw/zinc/87/02/90/584870290.db2.gz UNRQEWYZGNBPJE-UHFFFAOYSA-N 2 0 219.332 1.116 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CNCC1([NH3+])CCC1 ZINC000904354943 584870662 /nfs/dbraw/zinc/87/06/62/584870662.db2.gz HKNWTVZUCUXVSZ-NSHDSACASA-N 2 0 227.396 1.611 20 0 BDADRP C[C@@H](O)C[NH2+]C[C@H]([NH3+])CCC(C)(C)C ZINC000904363417 584874180 /nfs/dbraw/zinc/87/41/80/584874180.db2.gz FGYNSFGNPFEDQM-NXEZZACHSA-N 2 0 202.342 1.110 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H]([NH3+])CCC(C)(C)C ZINC000904356355 584871429 /nfs/dbraw/zinc/87/14/29/584871429.db2.gz WIYVLAGHRIWJAP-UPJWGTAASA-N 2 0 241.423 1.728 20 0 BDADRP [NH3+]CC1CC([NH2+]C[C@@H](O)c2ccsc2)C1 ZINC000904361101 584871987 /nfs/dbraw/zinc/87/19/87/584871987.db2.gz VNLDPSWAYAXETP-BOBPJJCASA-N 2 0 226.345 1.108 20 0 BDADRP COc1cc(C[NH2+]C[C@H]2C[C@@H]([NH3+])C2)ccc1C ZINC000904362005 584872015 /nfs/dbraw/zinc/87/20/15/584872015.db2.gz FPMBPSMQUNYKAA-BETUJISGSA-N 2 0 234.343 1.831 20 0 BDADRP CC[C@@H]([NH2+]C1CC(C[NH3+])C1)[C@H]1CCCO1 ZINC000904362055 584872022 /nfs/dbraw/zinc/87/20/22/584872022.db2.gz GWUCMKKJPFJMFT-KIDURHIOSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@@H](CO)[N@H+](CC1CCC1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904367637 584872704 /nfs/dbraw/zinc/87/27/04/584872704.db2.gz BBRMXRROUAESHF-WCFLWFBJSA-N 2 0 226.364 1.207 20 0 BDADRP Cc1ccc(C[C@@H](CO)[NH2+]C2CC(C[NH3+])C2)cc1 ZINC000904369036 584872706 /nfs/dbraw/zinc/87/27/06/584872706.db2.gz QHQRTOJVMILUJH-NRXISQOPSA-N 2 0 248.370 1.225 20 0 BDADRP C[NH2+]CCCN(C)C[C@H]([NH3+])CCC(C)(C)C ZINC000904374025 584873764 /nfs/dbraw/zinc/87/37/64/584873764.db2.gz YMPQSZBPNQMPJF-GFCCVEGCSA-N 2 0 229.412 1.681 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)C1 ZINC000904373207 584873783 /nfs/dbraw/zinc/87/37/83/584873783.db2.gz CJFKADASNBNJCQ-IGQOVBAYSA-N 2 0 238.375 1.615 20 0 BDADRP C[C@@H]1C[C@@H](C)[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1C[NH3+] ZINC000904373553 584874140 /nfs/dbraw/zinc/87/41/40/584874140.db2.gz SYNLNTRVAVDNEE-VEGXAWMVSA-N 3 0 225.380 1.029 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904363142 584874237 /nfs/dbraw/zinc/87/42/37/584874237.db2.gz CFINTHGJNOXMSS-ADEWGFFLSA-N 2 0 214.353 1.110 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H](CO)c2ccccc2)C1 ZINC000904362805 584874595 /nfs/dbraw/zinc/87/45/95/584874595.db2.gz SFDIVMIGJSDUNV-KGYLQXTDSA-N 2 0 220.316 1.047 20 0 BDADRP CC(C)OCCC[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904365329 584874860 /nfs/dbraw/zinc/87/48/60/584874860.db2.gz ZVCYCPHQZZASMM-PHIMTYICSA-N 2 0 200.326 1.128 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC(c3ccon3)CC2)C1 ZINC000904378796 584875843 /nfs/dbraw/zinc/87/58/43/584875843.db2.gz LBTLYPSIVJGHJE-KLPPZKSPSA-N 2 0 235.331 1.591 20 0 BDADRP [NH3+]CC1CC([NH2+][C@H]2CNc3ccccc3C2)C1 ZINC000904376653 584876442 /nfs/dbraw/zinc/87/64/42/584876442.db2.gz WKXDSCXHYJRBBA-KGPNIALWSA-N 2 0 231.343 1.350 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCOc3ccc(O)cc3C2)C1 ZINC000904379377 584876464 /nfs/dbraw/zinc/87/64/64/584876464.db2.gz TYISWOGVMWTLJS-KLPPZKSPSA-N 2 0 248.326 1.324 20 0 BDADRP C[C@]1(CN2CCCCC[C@H]([NH3+])C2)CCC[NH2+]C1 ZINC000904381220 584876658 /nfs/dbraw/zinc/87/66/58/584876658.db2.gz LSNBHAFAVCNWCU-KBPBESRZSA-N 2 0 239.407 1.579 20 0 BDADRP C[C@]1(CN2C[C@@H]3CCC[C@]3([NH3+])C2)CCC[NH2+]C1 ZINC000904380882 584876684 /nfs/dbraw/zinc/87/66/84/584876684.db2.gz PBTBENQOPNPTNW-IHRRRGAJSA-N 2 0 237.391 1.189 20 0 BDADRP C[C@]12COC[C@@H]1C[N@H+](C[C@@]1(C)CCC[NH2+]C1)C2 ZINC000904379812 584876839 /nfs/dbraw/zinc/87/68/39/584876839.db2.gz XWFZFFVFOUWFGU-IHRRRGAJSA-N 2 0 238.375 1.344 20 0 BDADRP C[C@@H]1CN(C[C@@H]([NH3+])CCC(C)(C)C)C[C@H]1C[NH3+] ZINC000904384530 584877198 /nfs/dbraw/zinc/87/71/98/584877198.db2.gz MFBKKNNWGNCEMM-UPJWGTAASA-N 2 0 241.423 1.667 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+]Cc2cc(C3CC3)no2)C1 ZINC000904385630 584877719 /nfs/dbraw/zinc/87/77/19/584877719.db2.gz AJXWSOSIHQUFFS-WAAGHKOSSA-N 2 0 221.304 1.379 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C2CC(C[NH3+])C2)C1 ZINC000904385408 584877744 /nfs/dbraw/zinc/87/77/44/584877744.db2.gz XUGRRXHTUOMYAZ-MOENNCHZSA-N 2 0 225.380 1.092 20 0 BDADRP CC(=O)C1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904385592 584878016 /nfs/dbraw/zinc/87/80/16/584878016.db2.gz ZOCBYDBDIUEZRQ-KLPPZKSPSA-N 2 0 210.321 1.025 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccc(N)nc2)CC[C@@H]1C[NH3+] ZINC000904410550 584879054 /nfs/dbraw/zinc/87/90/54/584879054.db2.gz HJZBBNQLASQRGS-CMPLNLGQSA-N 2 0 234.347 1.081 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000904407674 584879219 /nfs/dbraw/zinc/87/92/19/584879219.db2.gz YOZBBXDLINFRCD-RLAWYHOSSA-N 3 0 237.391 1.188 20 0 BDADRP C[C@@H]1C[N@H+](Cc2nccn2C2CC2)CC[C@@H]1C[NH3+] ZINC000904409606 584879385 /nfs/dbraw/zinc/87/93/85/584879385.db2.gz DJDKOGFURVXXJU-VXGBXAGGSA-N 2 0 248.374 1.635 20 0 BDADRP Cc1cc([C@H](C)[NH2+][C@@H](C)CCCC[NH3+])n(C)n1 ZINC000817976954 584993574 /nfs/dbraw/zinc/99/35/74/584993574.db2.gz XOKRQPHMZDZDJD-JQWIXIFHSA-N 2 0 238.379 1.897 20 0 BDADRP O[C@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)C1CC1 ZINC000819278272 585000982 /nfs/dbraw/zinc/00/09/82/585000982.db2.gz NJNUITCUXGHPER-JXQTWKCFSA-N 2 0 238.375 1.364 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)C2CC2)C1 ZINC000838862564 585076037 /nfs/dbraw/zinc/07/60/37/585076037.db2.gz KTBYRPWAGLWNTA-WCQYABFASA-N 2 0 226.364 1.031 20 0 BDADRP CCC[NH+]1CCC([N@H+](C)C[C@H](O)C2CC2)CC1 ZINC000838864392 585076208 /nfs/dbraw/zinc/07/62/08/585076208.db2.gz SZDYPKWXFUUUAR-AWEZNQCLSA-N 2 0 240.391 1.564 20 0 BDADRP C(C[NH+]1CCCC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000741753835 585117672 /nfs/dbraw/zinc/11/76/72/585117672.db2.gz CBKOAJDTYQDXSM-AWEZNQCLSA-N 2 0 237.391 1.252 20 0 BDADRP Cc1ccc([C@H](O)C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000743262285 585134374 /nfs/dbraw/zinc/13/43/74/585134374.db2.gz SUVLCVZUEHXTMO-RBSFLKMASA-N 2 0 246.354 1.180 20 0 BDADRP Cc1cc(CN2CCCC[C@@]3(CC[NH2+]C3)C2)on1 ZINC000886872248 585186845 /nfs/dbraw/zinc/18/68/45/585186845.db2.gz NIQXHPXABHPMGR-AWEZNQCLSA-N 2 0 249.358 1.949 20 0 BDADRP C[N@@H+]1CCCC[C@H]1CN1CCN(CCF)CC1 ZINC000759346480 585369968 /nfs/dbraw/zinc/36/99/68/585369968.db2.gz IQMIWAZPCCYIRC-ZDUSSCGKSA-N 2 0 243.370 1.058 20 0 BDADRP C[C@H]1C[C@@H](N(C)CC[NH+]2CCCC2)CC[N@@H+]1C ZINC000760842850 585399288 /nfs/dbraw/zinc/39/92/88/585399288.db2.gz KTCZTQBGVMOYCD-KBPBESRZSA-N 2 0 239.407 1.497 20 0 BDADRP C[C@H](CCO)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000760896520 585401510 /nfs/dbraw/zinc/40/15/10/585401510.db2.gz GCPGJXLXKFNEOG-GFCCVEGCSA-N 2 0 228.380 1.469 20 0 BDADRP O=C(CC[N@@H+]1CCC[C@@H](n2ccnc2)C1)C1CC1 ZINC000767371368 585518249 /nfs/dbraw/zinc/51/82/49/585518249.db2.gz VVFBIKVBQJBCMP-CYBMUJFWSA-N 2 0 247.342 1.889 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)CN1CC[NH+]1CCCC1 ZINC000768770513 585543352 /nfs/dbraw/zinc/54/33/52/585543352.db2.gz HNIMBBVEVZZZMV-QWHCGFSZSA-N 2 0 225.380 1.107 20 0 BDADRP CO[C@@H]1[C@@H](C)[C@H]([NH2+]CCN2CCCC2)C1(C)C ZINC000776153635 585691087 /nfs/dbraw/zinc/69/10/87/585691087.db2.gz BICUSHYMXTVTPH-RWMBFGLXSA-N 2 0 240.391 1.731 20 0 BDADRP CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CCN2CCCC2)C1(C)C ZINC000776153636 585691114 /nfs/dbraw/zinc/69/11/14/585691114.db2.gz BICUSHYMXTVTPH-YNEHKIRRSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@H](CCO)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000779349225 585752308 /nfs/dbraw/zinc/75/23/08/585752308.db2.gz XIANDQJVKBADDR-NEPJUHHUSA-N 2 0 230.396 1.713 20 0 BDADRP C[C@@H](CCO)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000779349228 585752333 /nfs/dbraw/zinc/75/23/33/585752333.db2.gz XIANDQJVKBADDR-RYUDHWBXSA-N 2 0 230.396 1.713 20 0 BDADRP C[C@H](CCO)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000779384791 585752699 /nfs/dbraw/zinc/75/26/99/585752699.db2.gz OBIVGNZGDQXWNW-CHWSQXEVSA-N 2 0 228.380 1.611 20 0 BDADRP C[C@@H](CCO)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000779384793 585752780 /nfs/dbraw/zinc/75/27/80/585752780.db2.gz OBIVGNZGDQXWNW-QWHCGFSZSA-N 2 0 228.380 1.611 20 0 BDADRP c1ccc2c(c1)CC[C@@H]2C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000780284990 585776797 /nfs/dbraw/zinc/77/67/97/585776797.db2.gz HBAFOMPKTKAWJC-KFWWJZLASA-N 2 0 242.366 1.868 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782621521 585823050 /nfs/dbraw/zinc/82/30/50/585823050.db2.gz SQYTWPPSEPWCJY-MCIONIFRSA-N 2 0 238.375 1.175 20 0 BDADRP C[N@H+]1C[C@H]2CN(C[C@@H]3CC3(Cl)Cl)C[C@H]2C1 ZINC000785935611 585884170 /nfs/dbraw/zinc/88/41/70/585884170.db2.gz JEOZHJHGFKIIID-AEJSXWLSSA-N 2 0 249.185 1.674 20 0 BDADRP CC(=O)OC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000798181763 586138764 /nfs/dbraw/zinc/13/87/64/586138764.db2.gz YHTWJCAQFJBMBJ-JQWIXIFHSA-N 2 0 240.347 1.012 20 0 BDADRP CC[C@H](O)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000799308961 586169292 /nfs/dbraw/zinc/16/92/92/586169292.db2.gz HMNYCHOQBYGULE-AVGNSLFASA-N 2 0 228.380 1.419 20 0 BDADRP Cc1cc(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)nc(N)[nH+]1 ZINC000811811441 586567331 /nfs/dbraw/zinc/56/73/31/586567331.db2.gz BVKJUAUVGGCPCP-ZJUUUORDSA-N 2 0 247.346 1.404 20 0 BDADRP C[C@@H](NCC[N@@H+]1CCC[C@@H]1C)[C@H]1CCC[NH2+]1 ZINC000817912362 586831406 /nfs/dbraw/zinc/83/14/06/586831406.db2.gz GJFOLGAYJMAQTG-YNEHKIRRSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@@H]1CC[N@H+](C)C1 ZINC000817888103 586831807 /nfs/dbraw/zinc/83/18/07/586831807.db2.gz APGVWMCURJWDGY-NWANDNLSSA-N 2 0 247.386 1.239 20 0 BDADRP Cc1ccc([C@H](O)C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000817893309 586833705 /nfs/dbraw/zinc/83/37/05/586833705.db2.gz RBFMTAFRCZXUAQ-MBNYWOFBSA-N 2 0 236.359 1.744 20 0 BDADRP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000817904549 586836897 /nfs/dbraw/zinc/83/68/97/586836897.db2.gz CQXKHLJDBZJSDD-RZFFKMDDSA-N 2 0 248.370 1.968 20 0 BDADRP CC(C)C[C@H](O)C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000817904123 586836965 /nfs/dbraw/zinc/83/69/65/586836965.db2.gz UZBGNCXUQDINIC-AVGNSLFASA-N 2 0 228.380 1.371 20 0 BDADRP C[C@H](NCC[N@@H+]1CCC[C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000817912783 586837813 /nfs/dbraw/zinc/83/78/13/586837813.db2.gz IONVZQXFYKGTBY-HZSPNIEDSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NCC[N@@H+]1CCC[C@@H]1C ZINC000817914431 586839119 /nfs/dbraw/zinc/83/91/19/586839119.db2.gz XGAOJDJQCFIIQM-TUAOUCFPSA-N 2 0 213.369 1.186 20 0 BDADRP Cn1nccc1CC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000817922588 586840244 /nfs/dbraw/zinc/84/02/44/586840244.db2.gz HONCEZPOKZNKPN-OLZOCXBDSA-N 2 0 236.363 1.212 20 0 BDADRP Cc1ccc([C@@H](O)C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000817926670 586841080 /nfs/dbraw/zinc/84/10/80/586841080.db2.gz RBFMTAFRCZXUAQ-OBJOEFQTSA-N 2 0 236.359 1.744 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCC=CO1 ZINC000817924869 586841275 /nfs/dbraw/zinc/84/12/75/586841275.db2.gz ZPQOUIAKIIOGDZ-FRRDWIJNSA-N 2 0 224.348 1.657 20 0 BDADRP C1CC1[C@H]1CC[C@@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000817928621 586842029 /nfs/dbraw/zinc/84/20/29/586842029.db2.gz ZEROTPHYRUURRK-UPJWGTAASA-N 2 0 208.349 1.907 20 0 BDADRP CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817947215 586847036 /nfs/dbraw/zinc/84/70/36/586847036.db2.gz ALGUYMZXLXODMC-NEPJUHHUSA-N 2 0 236.359 1.701 20 0 BDADRP c1[nH]nc2c1[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)CCC2 ZINC000817969578 586856576 /nfs/dbraw/zinc/85/65/76/586856576.db2.gz XNONIJHGGMOTCW-PWSUYJOCSA-N 2 0 234.347 1.519 20 0 BDADRP CCCC[NH+]1CCC([NH2+]C[C@@H](O)C2CC2)CC1 ZINC000819042477 586926623 /nfs/dbraw/zinc/92/66/23/586926623.db2.gz IRBJOICSRCWLMA-CQSZACIVSA-N 2 0 240.391 1.611 20 0 BDADRP C[NH+](C)CC1(C[NH2+]C[C@@H](O)C2CC2)CCCC1 ZINC000819228642 586940534 /nfs/dbraw/zinc/94/05/34/586940534.db2.gz VSJKIQVYHRIUDH-CYBMUJFWSA-N 2 0 240.391 1.469 20 0 BDADRP O[C@@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)C1CC1 ZINC000819355004 586956427 /nfs/dbraw/zinc/95/64/27/586956427.db2.gz ONBRLSJXRIIDEB-AWEZNQCLSA-N 2 0 238.375 1.364 20 0 BDADRP OC[C@@H]([C@H]([NH2+]Cc1cnc[nH]1)C1CC1)C1CC1 ZINC000831653801 587626729 /nfs/dbraw/zinc/62/67/29/587626729.db2.gz ABZRLRJUNZPAIE-CHWSQXEVSA-N 2 0 235.331 1.296 20 0 BDADRP C[C@@H]([NH3+])C1CCN(C(=O)CCCCC[NH3+])CC1 ZINC000832591739 587668234 /nfs/dbraw/zinc/66/82/34/587668234.db2.gz JMDZXFLMUWZFDF-LLVKDONJSA-N 2 0 241.379 1.091 20 0 BDADRP [NH3+]CCC[N@@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000841007338 587935066 /nfs/dbraw/zinc/93/50/66/587935066.db2.gz PHILTCYFODETEY-CABCVRRESA-N 2 0 248.370 1.923 20 0 BDADRP COC[C@H](C)C[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841033066 587936979 /nfs/dbraw/zinc/93/69/79/587936979.db2.gz JREPKIAHROSRNA-GFCCVEGCSA-N 2 0 236.359 1.560 20 0 BDADRP CC[C@@H](COC)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841032880 587937106 /nfs/dbraw/zinc/93/71/06/587937106.db2.gz GSQCQXKSUODYOL-AWEZNQCLSA-N 2 0 236.359 1.702 20 0 BDADRP CC[NH2+]CCN[C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000841036703 587938133 /nfs/dbraw/zinc/93/81/33/587938133.db2.gz VWKARXOROYXHMG-VWYCJHECSA-N 2 0 246.445 1.565 20 0 BDADRP C(CN1CC[NH2+]CC1)[NH2+]C1CCCCCCC1 ZINC000841044653 587939320 /nfs/dbraw/zinc/93/93/20/587939320.db2.gz FVVMUKFDCQIIER-UHFFFAOYSA-N 2 0 239.407 1.594 20 0 BDADRP C[C@H]1CC[NH2+]C[C@@H]1NCc1ccc(Cl)nc1 ZINC000841057646 587940754 /nfs/dbraw/zinc/94/07/54/587940754.db2.gz BSZODMHUPHAMKD-ONGXEEELSA-N 2 0 239.750 1.823 20 0 BDADRP CCCCC[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000841088389 587943152 /nfs/dbraw/zinc/94/31/52/587943152.db2.gz ZULYAENZMJQNLY-OLZOCXBDSA-N 2 0 228.380 1.923 20 0 BDADRP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCCCCCC[NH3+] ZINC000842472205 588028652 /nfs/dbraw/zinc/02/86/52/588028652.db2.gz ASEANPBXYVAOBM-RYUDHWBXSA-N 2 0 213.369 1.317 20 0 BDADRP [NH3+]CCCCCC[NH2+][C@@H]1CCCSC1 ZINC000843128111 588085041 /nfs/dbraw/zinc/08/50/41/588085041.db2.gz ULSRACKDGHLYNO-LLVKDONJSA-N 2 0 216.394 1.991 20 0 BDADRP CCc1nc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)co1 ZINC000843339839 588100643 /nfs/dbraw/zinc/10/06/43/588100643.db2.gz HHXIZDXEXDXIQC-IJLUTSLNSA-N 2 0 249.358 1.715 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCCCCC[NH3+])CCO1 ZINC000843342212 588100961 /nfs/dbraw/zinc/10/09/61/588100961.db2.gz ONFDIIAVHMSOOW-RYUDHWBXSA-N 2 0 214.353 1.663 20 0 BDADRP C[C@H]([NH2+]CCCCCC[NH3+])[C@@H]1CCCOC1 ZINC000843341272 588101186 /nfs/dbraw/zinc/10/11/86/588101186.db2.gz HZDUXERAFTWSFW-QWHCGFSZSA-N 2 0 228.380 1.910 20 0 BDADRP C[C@H](Cc1cnccn1)[NH2+]CCCCCC[NH3+] ZINC000843342503 588101284 /nfs/dbraw/zinc/10/12/84/588101284.db2.gz RGEHVYANDKDSBT-GFCCVEGCSA-N 2 0 236.363 1.516 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCCCCC[NH3+])CC[N@@H+]1C ZINC000843342415 588101346 /nfs/dbraw/zinc/10/13/46/588101346.db2.gz QLAILXKWLCADKH-CHWSQXEVSA-N 3 0 227.396 1.578 20 0 BDADRP [NH3+]CCCCCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000843344112 588101471 /nfs/dbraw/zinc/10/14/71/588101471.db2.gz QWQXCOGEAMGTGG-QWHCGFSZSA-N 3 0 227.396 1.613 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCCCCC[NH3+] ZINC000843344099 588101623 /nfs/dbraw/zinc/10/16/23/588101623.db2.gz QMBGDENJAXPNFD-CHWSQXEVSA-N 3 0 227.396 1.483 20 0 BDADRP C[C@H]1C[NH+](CCCCCCC[NH3+])C[C@H](C)N1 ZINC000843352157 588102610 /nfs/dbraw/zinc/10/26/10/588102610.db2.gz RFSFDPBESNEKPD-STQMWFEESA-N 2 0 227.396 1.578 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCCCCCC[NH3+])C1 ZINC000843353064 588103091 /nfs/dbraw/zinc/10/30/91/588103091.db2.gz APVGWOHUMJFUOL-KBPBESRZSA-N 3 0 241.423 1.955 20 0 BDADRP CCCCOC(=O)CC[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000843365391 588104319 /nfs/dbraw/zinc/10/43/19/588104319.db2.gz GSCUMRDPJQXNLH-RYUDHWBXSA-N 2 0 242.363 1.389 20 0 BDADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCCCCC[NH3+] ZINC000843511723 588117549 /nfs/dbraw/zinc/11/75/49/588117549.db2.gz JDGPWCJPVJCZGW-VXGBXAGGSA-N 2 0 241.379 1.010 20 0 BDADRP CC[C@@]1(C(=O)NCCCCCC[NH3+])CCC[NH2+]1 ZINC000843513027 588117974 /nfs/dbraw/zinc/11/79/74/588117974.db2.gz XDVSRPHHVQNSKJ-ZDUSSCGKSA-N 2 0 241.379 1.154 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000846220726 588260221 /nfs/dbraw/zinc/26/02/21/588260221.db2.gz OESUAGRDWREXLZ-GFCCVEGCSA-N 2 0 237.351 1.044 20 0 BDADRP C[N@H+](CCCCCC[NH3+])CC(C)(C)C[NH3+] ZINC000846217166 588260299 /nfs/dbraw/zinc/26/02/99/588260299.db2.gz BOQXNDQIXVXOOH-UHFFFAOYSA-N 2 0 215.385 1.422 20 0 BDADRP C[C@H]1C[N@H+](CCCCCC[NH3+])CC[C@H]1[NH3+] ZINC000846217705 588260358 /nfs/dbraw/zinc/26/03/58/588260358.db2.gz MMLLYFWTFRKPJX-NWDGAFQWSA-N 2 0 213.369 1.175 20 0 BDADRP CC(C)[C@@](C)(CN)[NH2+]CCCCCC[NH3+] ZINC000846217422 588260399 /nfs/dbraw/zinc/26/03/99/588260399.db2.gz HINBVBVTEICYFR-GFCCVEGCSA-N 2 0 215.385 1.469 20 0 BDADRP C[C@@H]1CCC[N@H+](CCCCCC[NH3+])[C@H]1CN ZINC000846217427 588260508 /nfs/dbraw/zinc/26/05/08/588260508.db2.gz HJKAKZBOKBPDHZ-OLZOCXBDSA-N 2 0 227.396 1.565 20 0 BDADRP CC[N@H+](CCCCCC[NH3+])C[C@@H]1CCOC1 ZINC000846217799 588260919 /nfs/dbraw/zinc/26/09/19/588260919.db2.gz BZJUJDUUWLBWOY-ZDUSSCGKSA-N 2 0 228.380 1.864 20 0 BDADRP C[C@@H]1CCN[C@@H](C)[C@H]1[NH2+]CCCCCC[NH3+] ZINC000846221163 588261117 /nfs/dbraw/zinc/26/11/17/588261117.db2.gz ULKUPBSCWIYYNL-AGIUHOORSA-N 2 0 227.396 1.482 20 0 BDADRP C[C@@H]1CCN[C@@H](C)[C@@H]1[NH2+]CCCCCC[NH3+] ZINC000846221164 588261131 /nfs/dbraw/zinc/26/11/31/588261131.db2.gz ULKUPBSCWIYYNL-FRRDWIJNSA-N 2 0 227.396 1.482 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000846220321 588261205 /nfs/dbraw/zinc/26/12/05/588261205.db2.gz FXHXMLHPQNPTIJ-CYBMUJFWSA-N 3 0 227.396 1.709 20 0 BDADRP [NH3+]CCCCCCC[NH+]1CCC(CCO)CC1 ZINC000846224953 588261639 /nfs/dbraw/zinc/26/16/39/588261639.db2.gz FJPPVNVDLYBAMT-UHFFFAOYSA-N 2 0 242.407 1.990 20 0 BDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CCF)C2)C1 ZINC000846224775 588261650 /nfs/dbraw/zinc/26/16/50/588261650.db2.gz DFOXRSWUQNQLNK-UTUOFQBUSA-N 2 0 230.327 1.174 20 0 BDADRP [NH3+]CCCCCC[NH+]1CCC(CC[NH3+])CC1 ZINC000846227266 588261880 /nfs/dbraw/zinc/26/18/80/588261880.db2.gz LWHXKZFZBVPASC-UHFFFAOYSA-N 3 0 227.396 1.566 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCOc2cccnc2)C1 ZINC000848718123 588408022 /nfs/dbraw/zinc/40/80/22/588408022.db2.gz YHRSMEYSTGSOCU-RYUDHWBXSA-N 2 0 235.331 1.320 20 0 BDADRP Cc1ccc([C@H](O)C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)o1 ZINC000848719563 588408668 /nfs/dbraw/zinc/40/86/68/588408668.db2.gz JUDUSSFQUKHJLZ-GRYCIOLGSA-N 2 0 238.331 1.481 20 0 BDADRP CCCCNC(=[NH2+])NCC1([NH+](C)C)CCCC1 ZINC000848981286 588422494 /nfs/dbraw/zinc/42/24/94/588422494.db2.gz QSFVSXZAJCOQCT-UHFFFAOYSA-N 2 0 240.395 1.775 20 0 BDADRP [NH2+]=C(NCCC[NH+]1CCCCC1)NC1CCC1 ZINC000848982660 588424375 /nfs/dbraw/zinc/42/43/75/588424375.db2.gz RXXBNOBMKQFCOO-UHFFFAOYSA-N 2 0 238.379 1.529 20 0 BDADRP CC[C@@H](C)NC(=[NH2+])NCCC[N@H+](C)C(C)C ZINC000848987554 588426046 /nfs/dbraw/zinc/42/60/46/588426046.db2.gz GKKNHGXDCNXETH-LLVKDONJSA-N 2 0 228.384 1.629 20 0 BDADRP C[C@H]1CCCN(C(=[NH2+])NCCCC[NH+](C)C)C1 ZINC000848989796 588426376 /nfs/dbraw/zinc/42/63/76/588426376.db2.gz BRZNKRAPBNENQY-LBPRGKRZSA-N 2 0 240.395 1.584 20 0 BDADRP C[C@@H](CNC(=[NH2+])NC1CCC1)[NH+]1CCCCC1 ZINC000848995350 588428648 /nfs/dbraw/zinc/42/86/48/588428648.db2.gz HQRDOYWGAAFRCA-NSHDSACASA-N 2 0 238.379 1.527 20 0 BDADRP CC[C@@H](C)NC(=[NH2+])NC[C@@H](C)[N@H+](C)C1CC1 ZINC000849001602 588430910 /nfs/dbraw/zinc/43/09/10/588430910.db2.gz HRIJNOJJMROISW-NXEZZACHSA-N 2 0 226.368 1.382 20 0 BDADRP C[C@@H]1CC[N@H+](CCNC(=[NH2+])NC(C)(C)C)C1 ZINC000849004714 588432104 /nfs/dbraw/zinc/43/21/04/588432104.db2.gz WYTMEWWWUMOPIJ-SNVBAGLBSA-N 2 0 226.368 1.241 20 0 BDADRP CCNC(=[NH2+])NCC[C@@H](C)[NH+]1CCCCC1 ZINC000849018409 588438167 /nfs/dbraw/zinc/43/81/67/588438167.db2.gz RWYVQYKAEGQOBG-LLVKDONJSA-N 2 0 226.368 1.385 20 0 BDADRP CN(C)C(=[NH2+])NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000849023068 588439464 /nfs/dbraw/zinc/43/94/64/588439464.db2.gz IYXYQEGHUYQTMK-LLVKDONJSA-N 2 0 224.352 1.089 20 0 BDADRP CCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N(C)C1CC1 ZINC000849027883 588441276 /nfs/dbraw/zinc/44/12/76/588441276.db2.gz OEAJITVUUHPNLM-LBPRGKRZSA-N 2 0 238.379 1.479 20 0 BDADRP C[C@H](CNC(=[NH2+])N1CCCCCC1)C[NH+](C)C ZINC000849030449 588442534 /nfs/dbraw/zinc/44/25/34/588442534.db2.gz ONVFLWQDDHJKLN-GFCCVEGCSA-N 2 0 240.395 1.584 20 0 BDADRP CCNC(=[NH2+])NCCCCC[NH+]1CCCC1 ZINC000849033054 588443536 /nfs/dbraw/zinc/44/35/36/588443536.db2.gz BCQIEFGYZLLGIZ-UHFFFAOYSA-N 2 0 226.368 1.386 20 0 BDADRP CN(C(=[NH2+])NCc1ccc2c[nH+]cn2c1)C1CC1 ZINC000849040457 588447558 /nfs/dbraw/zinc/44/75/58/588447558.db2.gz VWSYJQMVARVJLX-UHFFFAOYSA-N 2 0 243.314 1.453 20 0 BDADRP C[C@H]1CCCC[N@@H+]1CCNC1=[NH+]CCCCN1 ZINC000849215598 588462313 /nfs/dbraw/zinc/46/23/13/588462313.db2.gz SGPJRPPJQLQNGC-LBPRGKRZSA-N 2 0 238.379 1.190 20 0 BDADRP c1[nH+]cn2cc(CNC3=[NH+]CCCCN3)ccc12 ZINC000849217093 588462628 /nfs/dbraw/zinc/46/26/28/588462628.db2.gz YTFTWGFMFBSCQO-UHFFFAOYSA-N 2 0 243.314 1.163 20 0 BDADRP C[C@H](CCO)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000850582480 588561677 /nfs/dbraw/zinc/56/16/77/588561677.db2.gz KAQKCBOXEJIJFR-GFCCVEGCSA-N 2 0 240.391 1.469 20 0 BDADRP CCN1CCC([N@H+](C)CCOC(F)F)CC1 ZINC000851796485 588629840 /nfs/dbraw/zinc/62/98/40/588629840.db2.gz GBSTZPJGHHCMOR-UHFFFAOYSA-N 2 0 236.306 1.642 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCCC12CCC2 ZINC000851990827 588653209 /nfs/dbraw/zinc/65/32/09/588653209.db2.gz XFBQWPYQXVXVFL-CYBMUJFWSA-N 2 0 240.391 1.706 20 0 BDADRP C[N@@H+]1CC[C@]2(CCN(Cc3cccc(F)n3)C2)C1 ZINC000852077825 588660223 /nfs/dbraw/zinc/66/02/23/588660223.db2.gz FEBUWOJQVLFFQI-AWEZNQCLSA-N 2 0 249.333 1.748 20 0 BDADRP CO[C@@H]1CC[C@@H]([N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000852078132 588660470 /nfs/dbraw/zinc/66/04/70/588660470.db2.gz LQKQNECAQWRPLV-MGPQQGTHSA-N 2 0 238.375 1.582 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCOC(F)F)C1 ZINC000852741583 588698470 /nfs/dbraw/zinc/69/84/70/588698470.db2.gz WDYDVPWJNBUOQD-BDAKNGLRSA-N 2 0 222.279 1.285 20 0 BDADRP C[C@@H]1CC[N@H+](CCOC(F)F)C[C@@H]1C[NH3+] ZINC000852750913 588700226 /nfs/dbraw/zinc/70/02/26/588700226.db2.gz JAZPRVRTOJIODW-BDAKNGLRSA-N 2 0 222.279 1.142 20 0 BDADRP FC(F)OCC[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000852750174 588700257 /nfs/dbraw/zinc/70/02/57/588700257.db2.gz XJDCTDSLOYMHNQ-QWRGUYRKSA-N 2 0 248.317 1.547 20 0 BDADRP CN(Cc1c[nH]cn1)C(=O)CCCCCC[NH3+] ZINC000852837542 588707270 /nfs/dbraw/zinc/70/72/70/588707270.db2.gz XMMZOAUVXCIJFU-UHFFFAOYSA-N 2 0 238.335 1.277 20 0 BDADRP CCO[C@@H](C[N@@H+]1CCC[C@@H](C[NH3+])C1)C1CC1 ZINC000863539546 589296789 /nfs/dbraw/zinc/29/67/89/589296789.db2.gz DZXXVLIUFHQNGS-AAEUAGOBSA-N 2 0 226.364 1.472 20 0 BDADRP CC(C)[C@@H]1CC[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000863546618 589297757 /nfs/dbraw/zinc/29/77/57/589297757.db2.gz LUNABKBXKHGFDR-RYUDHWBXSA-N 2 0 214.353 1.376 20 0 BDADRP C[N@H+](CCCCCCC[NH3+])[C@H]1C[C@@H](C(N)=O)C1 ZINC000863556262 589298829 /nfs/dbraw/zinc/29/88/29/589298829.db2.gz CBBWMXDHKYNAMX-TXEJJXNPSA-N 2 0 241.379 1.091 20 0 BDADRP C[C@@H]1C[C@@H]1NC(=[NH2+])NCC(C)(C)C[NH+](C)C ZINC000864451157 589364520 /nfs/dbraw/zinc/36/45/20/589364520.db2.gz DMIPCNNCTBJDPT-ZJUUUORDSA-N 2 0 226.368 1.097 20 0 BDADRP C[C@H]1C[C@H]1NC(=[NH2+])NCC1([NH+](C)C)CCCC1 ZINC000864451763 589365327 /nfs/dbraw/zinc/36/53/27/589365327.db2.gz JENUMUBUNKKOEO-WDEREUQCSA-N 2 0 238.379 1.383 20 0 BDADRP CCC(CC)NC(=[NH2+])NC[C@@H](C)[NH+]1CCCC1 ZINC000864453547 589366017 /nfs/dbraw/zinc/36/60/17/589366017.db2.gz NCWITHIGAKWENK-LLVKDONJSA-N 2 0 240.395 1.773 20 0 BDADRP C[C@H](CNC(=[NH2+])N[C@H]1C[C@@H]1C)C[NH+]1CCCC1 ZINC000864454668 589366177 /nfs/dbraw/zinc/36/61/77/589366177.db2.gz RGYQNMUTSFAKJW-WOPDTQHZSA-N 2 0 238.379 1.241 20 0 BDADRP C[C@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)C1CC1 ZINC000865659027 589454872 /nfs/dbraw/zinc/45/48/72/589454872.db2.gz DVCSCAGXMKSIRR-JQWIXIFHSA-N 2 0 226.364 1.220 20 0 BDADRP C[C@H]1CC[C@@H]([NH2+][C@H]2CCN(CC(C)(C)O)C2)C1 ZINC000865658863 589454951 /nfs/dbraw/zinc/45/49/51/589454951.db2.gz BQEMGBDMRXSYOB-XQQFMLRXSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CC[C@H]1CCCS1 ZINC000865724974 589458673 /nfs/dbraw/zinc/45/86/73/589458673.db2.gz OVXBQBFFOUIZKL-UTUOFQBUSA-N 2 0 228.405 1.812 20 0 BDADRP C[C@@H](C[NH+](C)C)Nc1cc[nH+]cc1C(F)(F)F ZINC000865807702 589462646 /nfs/dbraw/zinc/46/26/46/589462646.db2.gz WSEYBXBGGBDGEG-QMMMGPOBSA-N 2 0 247.264 1.884 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000866660018 589508315 /nfs/dbraw/zinc/50/83/15/589508315.db2.gz AOTRWORYKVBFQC-ZFDZMSFRSA-N 2 0 226.364 1.613 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CCN(Cc2coc(C3CC3)n2)C1 ZINC000866661542 589508573 /nfs/dbraw/zinc/50/85/73/589508573.db2.gz SNEXXDIKXRBKKL-MWLCHTKSSA-N 2 0 235.331 1.721 20 0 BDADRP C[C@H]1C[C@H]([NH3+])CN1CCC1SCCS1 ZINC000866681695 589511194 /nfs/dbraw/zinc/51/11/94/589511194.db2.gz BAENJWUGIOVOJL-IUCAKERBSA-N 2 0 232.418 1.604 20 0 BDADRP Nc1ccc2c(c1)OCCN(C[C@H]1CC[NH2+]C1)C2 ZINC000866689181 589512318 /nfs/dbraw/zinc/51/23/18/589512318.db2.gz FZIQDPAZLGPMGV-NSHDSACASA-N 2 0 247.342 1.073 20 0 BDADRP [NH3+]CCC[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000866697755 589512781 /nfs/dbraw/zinc/51/27/81/589512781.db2.gz XXBLKELUOLBVLO-ZDUSSCGKSA-N 2 0 226.364 1.759 20 0 BDADRP C(C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000866702850 589513590 /nfs/dbraw/zinc/51/35/90/589513590.db2.gz CCBWDFKHMXSPCN-UPJWGTAASA-N 2 0 240.416 1.671 20 0 BDADRP C[C@H]1C[C@H](C[NH3+])CN1Cc1cccc(Cl)n1 ZINC000122308980 589578062 /nfs/dbraw/zinc/57/80/62/589578062.db2.gz KTCNVNOULDEYSV-VHSXEESVSA-N 2 0 239.750 1.904 20 0 BDADRP [NH3+]C1(c2noc([C@]34CCC[C@H]3[NH2+]CC4)n2)CCC1 ZINC000871787216 589819093 /nfs/dbraw/zinc/81/90/93/589819093.db2.gz PROTTZFWJDSKJB-SKDRFNHKSA-N 2 0 248.330 1.191 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CC3(CCC3)CO2)CC[C@@H]1[NH3+] ZINC000872141320 589881556 /nfs/dbraw/zinc/88/15/56/589881556.db2.gz FGNXFJAEWQQCEX-AGIUHOORSA-N 2 0 238.375 1.615 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000872144443 589884521 /nfs/dbraw/zinc/88/45/21/589884521.db2.gz ZBOHKZGUIPWBBQ-XQQFMLRXSA-N 2 0 238.375 1.615 20 0 BDADRP CC(=O)C1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000872146613 589885098 /nfs/dbraw/zinc/88/50/98/589885098.db2.gz SPSKMMGHPFMRME-ZDUSSCGKSA-N 2 0 238.375 1.677 20 0 BDADRP CC(C)[C@@H](C[NH3+])C[N@H+](C)C1CCC([NH3+])CC1 ZINC000873200542 589992749 /nfs/dbraw/zinc/99/27/49/589992749.db2.gz CDEZBLIDLGKVLV-HIFPTAJRSA-N 3 0 227.396 1.419 20 0 BDADRP F[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000873215889 589998239 /nfs/dbraw/zinc/99/82/39/589998239.db2.gz GIEVONQSZJGMNW-TUAOUCFPSA-N 2 0 214.328 1.999 20 0 BDADRP [NH3+]C1CCC([NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000873218181 589998998 /nfs/dbraw/zinc/99/89/98/589998998.db2.gz YWUGCTABZJQWHG-BFUFEPHCSA-N 2 0 236.359 1.269 20 0 BDADRP CC(=O)C1CC[NH+](C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000873228011 590000934 /nfs/dbraw/zinc/00/09/34/590000934.db2.gz PYRIYHFJGAXYPT-AAEUAGOBSA-N 2 0 238.375 1.676 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccnn1C ZINC000873223829 590001221 /nfs/dbraw/zinc/00/12/21/590001221.db2.gz UAVXRYDTMMFNFD-QNWHQSFQSA-N 2 0 248.374 1.459 20 0 BDADRP C[NH+]1CCC(NC[C@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000873235056 590004564 /nfs/dbraw/zinc/00/45/64/590004564.db2.gz KKONQCCWWDSNMN-CYBMUJFWSA-N 2 0 239.407 1.448 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccnc(F)c2)C1 ZINC000873240577 590005568 /nfs/dbraw/zinc/00/55/68/590005568.db2.gz BMKWGQVYYGKKKN-QWRGUYRKSA-N 2 0 223.295 1.580 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC[C@H]1CCCS1 ZINC000873244633 590006455 /nfs/dbraw/zinc/00/64/55/590006455.db2.gz TZTFPWDRNCXYJU-HBNTYKKESA-N 2 0 216.394 1.988 20 0 BDADRP Fc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccn1 ZINC000873242302 590006819 /nfs/dbraw/zinc/00/68/19/590006819.db2.gz OXAJOWLLCGHFBE-RWMBFGLXSA-N 2 0 249.333 1.698 20 0 BDADRP Cc1ncc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)s1 ZINC000873250285 590007421 /nfs/dbraw/zinc/00/74/21/590007421.db2.gz GIXOJTVJPNHNBQ-UJNFCWOMSA-N 2 0 225.361 1.839 20 0 BDADRP Cc1cc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)no1 ZINC000873248632 590007433 /nfs/dbraw/zinc/00/74/33/590007433.db2.gz CGPMQLSZBGMOBE-LPEHRKFASA-N 2 0 209.293 1.371 20 0 BDADRP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873248683 590007448 /nfs/dbraw/zinc/00/74/48/590007448.db2.gz DNVQIZGQEFHXIB-XQQFMLRXSA-N 2 0 236.363 1.235 20 0 BDADRP C[C@]12C[C@H]1CCC[C@H]2[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873251198 590007991 /nfs/dbraw/zinc/00/79/91/590007991.db2.gz VCIUDTRZXCPUBV-LBELIVKGSA-N 2 0 208.349 1.892 20 0 BDADRP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000873250577 590008402 /nfs/dbraw/zinc/00/84/02/590008402.db2.gz RSKUJABWEGXMSN-CEUNDQEZSA-N 3 0 239.407 1.719 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H](c2cncc(F)c2)C2CC2)C1 ZINC000873251222 590008666 /nfs/dbraw/zinc/00/86/66/590008666.db2.gz VEEJWWFWKYRMQH-BIGNPOOSSA-N 2 0 249.333 1.999 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cccc(O)c1 ZINC000873252861 590008766 /nfs/dbraw/zinc/00/87/66/590008766.db2.gz WRDQLCKWRWSVBE-JBLDHEPKSA-N 2 0 220.316 1.780 20 0 BDADRP COC[C@@H](CC(C)C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873254161 590009409 /nfs/dbraw/zinc/00/94/09/590009409.db2.gz LZOMZKZJDMLFER-GRYCIOLGSA-N 2 0 214.353 1.374 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)C1CCOCC1 ZINC000873254357 590010291 /nfs/dbraw/zinc/01/02/91/590010291.db2.gz RKFWAGYCORYPGJ-FOGDFJRCSA-N 2 0 212.337 1.128 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)C1CCSCC1 ZINC000873258875 590012915 /nfs/dbraw/zinc/01/29/15/590012915.db2.gz WPHFUBJGJHCNLQ-NHCYSSNCSA-N 2 0 228.405 1.845 20 0 BDADRP CCOC[C@@H](C)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873259981 590013353 /nfs/dbraw/zinc/01/33/53/590013353.db2.gz PYAGRHOUWQUMKW-FVCCEPFGSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1c2ccccc2CN1C ZINC000873263910 590014922 /nfs/dbraw/zinc/01/49/22/590014922.db2.gz AGQJRUZVYXUPQE-YWPYICTPSA-N 2 0 247.386 1.889 20 0 BDADRP C[C@@H]([NH2+][C@H]1C[C@H](C)n2ccnc21)C1CC[NH2+]CC1 ZINC000873269182 590015303 /nfs/dbraw/zinc/01/53/03/590015303.db2.gz DLFSHRFYDPTBNJ-LOWVWBTDSA-N 2 0 248.374 1.867 20 0 BDADRP CC[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)[C@@H]1CCOC1 ZINC000873268185 590015762 /nfs/dbraw/zinc/01/57/62/590015762.db2.gz TWAFJNZPEYVLHE-MRVWCRGKSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)c1nccn1C)C1CC[NH2+]CC1 ZINC000873267597 590015765 /nfs/dbraw/zinc/01/57/65/590015765.db2.gz HCCJTLASTHQANU-MNOVXSKESA-N 2 0 236.363 1.459 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@@H]1C[NH3+])C1CC[NH2+]CC1 ZINC000873272481 590016125 /nfs/dbraw/zinc/01/61/25/590016125.db2.gz UCGHNTSLTYOEEI-UHTWSYAYSA-N 3 0 225.380 1.092 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CC[NH2+]CC[C@H]1C)C1CC[NH2+]CC1 ZINC000873270586 590016479 /nfs/dbraw/zinc/01/64/79/590016479.db2.gz XWPAWUDGTVLWQB-YRGRVCCFSA-N 3 0 239.407 1.352 20 0 BDADRP COCC(C)(C)CC[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000873281284 590018732 /nfs/dbraw/zinc/01/87/32/590018732.db2.gz HLCHYKHPSGHEMJ-GHMZBOCLSA-N 2 0 216.369 1.765 20 0 BDADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCC1CCC1 ZINC000873283121 590019750 /nfs/dbraw/zinc/01/97/50/590019750.db2.gz ZDEWKWABDZUCTH-CYZMBNFOSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCC1CCC1 ZINC000873283122 590019824 /nfs/dbraw/zinc/01/98/24/590019824.db2.gz ZDEWKWABDZUCTH-DRZSPHRISA-N 2 0 226.364 1.519 20 0 BDADRP CC[C@@H](C)[C@@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000020128535 590077325 /nfs/dbraw/zinc/07/73/25/590077325.db2.gz PVOQTUXBRLQJAV-ZIAGYGMSSA-N 2 0 241.423 1.648 20 0 BDADRP CC(C)(CCC[NH3+])NC(=O)CC[NH2+]CC1CC1 ZINC000876860206 590250574 /nfs/dbraw/zinc/25/05/74/590250574.db2.gz VGRPQMIBAUBQJU-UHFFFAOYSA-N 2 0 241.379 1.010 20 0 BDADRP C[C@@H]1CC[C@H](NC(=O)CCCCCC[NH3+])C[NH2+]1 ZINC000877048225 590274351 /nfs/dbraw/zinc/27/43/51/590274351.db2.gz IJCAIBJKXKEQIQ-NEPJUHHUSA-N 2 0 241.379 1.152 20 0 BDADRP C[C@H]([NH3+])CN(C)C(=O)CCCC[NH+]1CCCC1 ZINC000877103683 590284356 /nfs/dbraw/zinc/28/43/56/590284356.db2.gz XVPGNBVDVSZHQM-LBPRGKRZSA-N 2 0 241.379 1.058 20 0 BDADRP CC[C@@H]([NH2+]C)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877138390 590290914 /nfs/dbraw/zinc/29/09/14/590290914.db2.gz XJCUSZXAQLYWOX-YNEHKIRRSA-N 2 0 247.342 1.438 20 0 BDADRP CC(C)[C@H]([NH3+])C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877134362 590291056 /nfs/dbraw/zinc/29/10/56/590291056.db2.gz QLSCJSFROSLEGO-XQQFMLRXSA-N 2 0 247.342 1.423 20 0 BDADRP C[C@H]([NH2+]C1CC1)C(=O)N(C)CCCCCC[NH3+] ZINC000877438754 590327919 /nfs/dbraw/zinc/32/79/19/590327919.db2.gz VUPLRGQZJAQMLQ-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP CCC[N@H+](C)CC(=O)N(C)CCCCCC[NH3+] ZINC000877438402 590328292 /nfs/dbraw/zinc/32/82/92/590328292.db2.gz NZDAPFFYCUKDTQ-UHFFFAOYSA-N 2 0 243.395 1.306 20 0 BDADRP CN(CCCCCC[NH3+])C(=O)CC(C)(C)[NH3+] ZINC000877444175 590328912 /nfs/dbraw/zinc/32/89/12/590328912.db2.gz KCUIETLBQFJUGG-UHFFFAOYSA-N 2 0 229.368 1.091 20 0 BDADRP COCC[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000877664666 590388224 /nfs/dbraw/zinc/38/82/24/590388224.db2.gz SWXUKKQOSHGYGZ-UHFFFAOYSA-N 2 0 242.407 1.933 20 0 BDADRP CC[C@](C)(C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1)OC ZINC000877743482 590411219 /nfs/dbraw/zinc/41/12/19/590411219.db2.gz WGQPEGDZYBIFOT-MELADBBJSA-N 2 0 240.391 1.828 20 0 BDADRP CC(C)[C@H](O)CC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000877970427 590461893 /nfs/dbraw/zinc/46/18/93/590461893.db2.gz NYILAXMJCDZONC-CQSZACIVSA-N 2 0 242.407 1.667 20 0 BDADRP C[N@H+](CCc1cnccn1)CC1CC[NH+](C)CC1 ZINC000878099679 590494136 /nfs/dbraw/zinc/49/41/36/590494136.db2.gz ZOWPNGUXRMQWBO-UHFFFAOYSA-N 2 0 248.374 1.293 20 0 BDADRP CSC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000127280847 590613020 /nfs/dbraw/zinc/61/30/20/590613020.db2.gz OOLGGHSYIAHXEP-AXFHLTTASA-N 2 0 216.394 1.845 20 0 BDADRP COCC1([N@H+](C)CC[C@H]2CCC[NH+]2C)CCC1 ZINC000880186094 590953499 /nfs/dbraw/zinc/95/34/99/590953499.db2.gz PREUDFQMEAJOSP-CYBMUJFWSA-N 2 0 240.391 1.972 20 0 BDADRP CCOCC[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880260082 590980053 /nfs/dbraw/zinc/98/00/53/590980053.db2.gz NCXQHPIAIAJABS-CYBMUJFWSA-N 2 0 249.358 1.629 20 0 BDADRP CC[C@@H](C)NC(=O)CC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000129159540 591260855 /nfs/dbraw/zinc/26/08/55/591260855.db2.gz FHPSHTVIXQJRPV-NEPJUHHUSA-N 2 0 241.379 1.023 20 0 BDADRP CC(C)[NH+]1CCC(N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000129849435 591415277 /nfs/dbraw/zinc/41/52/77/591415277.db2.gz AHYFMDAPDOFNMT-CYBMUJFWSA-N 2 0 239.407 1.591 20 0 BDADRP CCN1CC[C@H]1C[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000883354095 591624622 /nfs/dbraw/zinc/62/46/22/591624622.db2.gz KOZOXNPXFWJGDI-RDBSUJKOSA-N 2 0 239.407 1.401 20 0 BDADRP Cc1nc(C)c(CN[C@H](C[NH3+])C(C)(C)C)o1 ZINC000883429640 591660596 /nfs/dbraw/zinc/66/05/96/591660596.db2.gz ARJPWMHJKVQANA-LLVKDONJSA-N 2 0 225.336 1.754 20 0 BDADRP C=C/C=C/CCN1CC[C@]2(CCC[NH2+]2)C1 ZINC000883433832 591664004 /nfs/dbraw/zinc/66/40/04/591664004.db2.gz ZXWCKKWWQFIVJL-ITDFMYJTSA-N 2 0 206.333 1.947 20 0 BDADRP C[C@H]1CCCN(C[C@@H]2C[C@H](F)C[NH2+]2)[C@@H]1CC[NH3+] ZINC000883435263 591666030 /nfs/dbraw/zinc/66/60/30/591666030.db2.gz NPHBDZUJHRVWCK-ZDEQEGDKSA-N 2 0 243.370 1.136 20 0 BDADRP C[N@H+](CC1CC[NH2+]CC1)C1(CN)CCCCC1 ZINC000883452874 591673087 /nfs/dbraw/zinc/67/30/87/591673087.db2.gz HRVWHJFWMMJDIO-UHFFFAOYSA-N 3 0 239.407 1.579 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000883459929 591674460 /nfs/dbraw/zinc/67/44/60/591674460.db2.gz KZOHZVDCTFJUKY-QWHCGFSZSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@H](CCO)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000132248552 591695717 /nfs/dbraw/zinc/69/57/17/591695717.db2.gz DEDRJFQLBLPDFY-LLVKDONJSA-N 2 0 226.364 1.221 20 0 BDADRP C[NH2+][C@H]1CCCN(C(=O)CCCCCC[NH3+])C1 ZINC000132846631 591743335 /nfs/dbraw/zinc/74/33/35/591743335.db2.gz HEBHPVJJZZSZJW-LBPRGKRZSA-N 2 0 241.379 1.106 20 0 BDADRP CC[NH2+]CCCNC(=O)C(C)(C)[C@@H]([NH3+])C(C)C ZINC000884014881 591799777 /nfs/dbraw/zinc/79/97/77/591799777.db2.gz ZUNPACWZXNHWSP-NSHDSACASA-N 2 0 243.395 1.112 20 0 BDADRP C[NH2+][C@@H](CC(C)C)C(=O)NC1(C[NH3+])CCCC1 ZINC000884030127 591814089 /nfs/dbraw/zinc/81/40/89/591814089.db2.gz GWQGFMXMHBXNDR-NSHDSACASA-N 2 0 241.379 1.008 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]([NH3+])CC2CC2)cc1 ZINC000884037833 591818459 /nfs/dbraw/zinc/81/84/59/591818459.db2.gz NHVYPPVBIAYUNC-ZANVPECISA-N 2 0 247.342 1.772 20 0 BDADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000884202428 591872648 /nfs/dbraw/zinc/87/26/48/591872648.db2.gz YNTTULZXQILGOH-RYUDHWBXSA-N 2 0 243.395 1.077 20 0 BDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)c1ccc(C[NH3+])cc1 ZINC000884347962 591909110 /nfs/dbraw/zinc/90/91/10/591909110.db2.gz KZENISVUQVXZAL-RYUDHWBXSA-N 2 0 247.342 1.001 20 0 BDADRP C[C@H]([NH2+]CCC[NH3+])c1cnn(-c2ccccc2)c1 ZINC000135259384 591999680 /nfs/dbraw/zinc/99/96/80/591999680.db2.gz CBYTUKYCUPSNIO-LBPRGKRZSA-N 2 0 244.342 1.872 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000220078412 592274040 /nfs/dbraw/zinc/27/40/40/592274040.db2.gz QLCKKEDDTGRAGL-RYUDHWBXSA-N 2 0 204.317 1.947 20 0 BDADRP CC[C@H](O)C[NH+]1CCC(CC)([NH+]2CCC2)CC1 ZINC000886710988 592308246 /nfs/dbraw/zinc/30/82/46/592308246.db2.gz KVZFARAOJNBHGZ-ZDUSSCGKSA-N 2 0 240.391 1.708 20 0 BDADRP COC(=O)CC[N@H+](C[C@H]1CCC[NH2+]C1)C(C)C ZINC000220374074 592308592 /nfs/dbraw/zinc/30/85/92/592308592.db2.gz AUGNRNKPIVKBJK-LBPRGKRZSA-N 2 0 242.363 1.260 20 0 BDADRP C[C@H]1SCC[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000220694842 592326006 /nfs/dbraw/zinc/32/60/06/592326006.db2.gz VQLXZXBXPXVRGK-PWSUYJOCSA-N 2 0 228.405 1.812 20 0 BDADRP [NH3+]CC1CC[NH+](C[C@@H]2C[C@]23CCOC3)CC1 ZINC000886827236 592351902 /nfs/dbraw/zinc/35/19/02/592351902.db2.gz HFOOZUFFVWBZRV-STQMWFEESA-N 2 0 224.348 1.084 20 0 BDADRP CCn1cc(C[NH2+]C2CCC([NH3+])CC2)cn1 ZINC000220818413 592355615 /nfs/dbraw/zinc/35/56/15/592355615.db2.gz CRMYWPNRHWNWIS-UHFFFAOYSA-N 2 0 222.336 1.263 20 0 BDADRP C([C@@H]1C[C@@]12CCOC2)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000886832967 592356683 /nfs/dbraw/zinc/35/66/83/592356683.db2.gz QRANYWUFSKQWBS-MELADBBJSA-N 2 0 236.359 1.098 20 0 BDADRP CCC1([NH+]2CCC2)CCN(CCC[NH3+])CC1 ZINC000886859832 592372633 /nfs/dbraw/zinc/37/26/33/592372633.db2.gz GZOHYBXDRWZZSP-UHFFFAOYSA-N 2 0 225.380 1.286 20 0 BDADRP CO[C@@H](C)C[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887134460 592449536 /nfs/dbraw/zinc/44/95/36/592449536.db2.gz KAXHYOGAJARLKV-OLZOCXBDSA-N 2 0 249.358 1.627 20 0 BDADRP CC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])NCC(F)F ZINC000887354106 592487212 /nfs/dbraw/zinc/48/72/12/592487212.db2.gz PZRGBCIBUPFFGY-VIFPVBQESA-N 2 0 248.321 1.240 20 0 BDADRP CCCC[N@H+](C)CCNC(=[NH2+])NCC1CC1 ZINC000887354217 592487313 /nfs/dbraw/zinc/48/73/13/592487313.db2.gz VEZIPJKHZDVKLD-UHFFFAOYSA-N 2 0 226.368 1.242 20 0 BDADRP C[C@H]([NH3+])[C@@H](NCCC[NH2+]C1CC1)c1ccccc1 ZINC000925704293 634384369 /nfs/dbraw/zinc/38/43/69/634384369.db2.gz FZXCLAAUOYNRHC-SWLSCSKDSA-N 2 0 247.386 1.807 20 0 BDADRP [NH3+]CC1(CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925704618 634384580 /nfs/dbraw/zinc/38/45/80/634384580.db2.gz ZCLKFUVAWZDMTR-GFCCVEGCSA-N 3 0 237.391 1.380 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)CCO1 ZINC000925706121 634387533 /nfs/dbraw/zinc/38/75/33/634387533.db2.gz LSJOFJHMOBMHSR-UPJWGTAASA-N 2 0 238.375 1.818 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)CCO1 ZINC000925706123 634389180 /nfs/dbraw/zinc/38/91/80/634389180.db2.gz LSJOFJHMOBMHSR-YNEHKIRRSA-N 2 0 238.375 1.818 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925706780 634392106 /nfs/dbraw/zinc/39/21/06/634392106.db2.gz KLOJWLZEUUTWMY-QNWHQSFQSA-N 3 0 239.407 1.480 20 0 BDADRP C[C@@H]1COC[C@@H](C)C1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000925707302 634393804 /nfs/dbraw/zinc/39/38/04/634393804.db2.gz OZMXXGYNYXGRFR-VXGBXAGGSA-N 2 0 238.375 1.509 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925709665 634407481 /nfs/dbraw/zinc/40/74/81/634407481.db2.gz PIMYNDRRBJHHTO-VZANTVGXSA-N 3 0 249.402 1.377 20 0 BDADRP C[C@@H](C[NH2+][C@H]1COCC1(C)C)C[NH+](C)C ZINC000312991154 634425611 /nfs/dbraw/zinc/42/56/11/634425611.db2.gz CRDTTXWVFQHORN-QWRGUYRKSA-N 2 0 214.353 1.199 20 0 BDADRP C[NH2+]C[C@H](C)[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000925715654 634442822 /nfs/dbraw/zinc/44/28/22/634442822.db2.gz GNKVQDSUTSPEIS-ZDEQEGDKSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@@H]([NH3+])[C@@H](NCC12CC(C1)C[NH2+]2)c1ccccc1 ZINC000925715528 634443368 /nfs/dbraw/zinc/44/33/68/634443368.db2.gz JRHUAYVDPIRNLP-CDMIUOQYSA-N 2 0 245.370 1.417 20 0 BDADRP C[C@H](c1ccncc1)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000257695551 634467385 /nfs/dbraw/zinc/46/73/85/634467385.db2.gz KCQAURRHXLWITB-NEPJUHHUSA-N 2 0 219.332 1.813 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@H]2CCCOC2)C[C@H]1C[NH3+] ZINC000253179354 634516153 /nfs/dbraw/zinc/51/61/53/634516153.db2.gz CUAWNJXQLKRCRC-JHJVBQTASA-N 2 0 226.364 1.330 20 0 BDADRP C[C@@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)C1CC[NH2+]CC1 ZINC000925728252 634527280 /nfs/dbraw/zinc/52/72/80/634527280.db2.gz KFAALEJMKGBONB-KGYLQXTDSA-N 3 0 237.391 1.234 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)C1CC[NH2+]CC1 ZINC000925728249 634528075 /nfs/dbraw/zinc/52/80/75/634528075.db2.gz KFAALEJMKGBONB-CYZMBNFOSA-N 3 0 237.391 1.234 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCCN[C@H]1C)C1CC[NH2+]CC1 ZINC000925728436 634529744 /nfs/dbraw/zinc/52/97/44/634529744.db2.gz VDQBRIGLPZNCIK-NTZNESFSSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1ccns1 ZINC000925731426 634562675 /nfs/dbraw/zinc/56/26/75/634562675.db2.gz KKTMGNNETYFEEM-JQWIXIFHSA-N 2 0 239.388 1.663 20 0 BDADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NCCC(C)(C)[NH3+] ZINC000925741765 634604139 /nfs/dbraw/zinc/60/41/39/634604139.db2.gz MSNSRLGDPNVNMD-JQWIXIFHSA-N 2 0 225.380 1.186 20 0 BDADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]1[C@@H]1C[C@H]1C ZINC000925824177 635411774 /nfs/dbraw/zinc/41/17/74/635411774.db2.gz QUPSSHFSMKJHKT-QZMLZZDBSA-N 2 0 238.375 1.373 20 0 BDADRP C[C@H](NC[C@]12CCC[C@H]1[NH2+]CC2)[C@@H]1CCC[NH2+]1 ZINC000925839658 635502037 /nfs/dbraw/zinc/50/20/37/635502037.db2.gz IKFGIDHBEODRQL-IGQOVBAYSA-N 2 0 237.391 1.249 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000925858780 635552040 /nfs/dbraw/zinc/55/20/40/635552040.db2.gz OVRMGWXOAQAVKH-SRVKXCTJSA-N 2 0 214.353 1.255 20 0 BDADRP [NH3+]C[C@H]1CCC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000036231120 635554115 /nfs/dbraw/zinc/55/41/15/635554115.db2.gz SIKLNFQMZFYTHT-NEPJUHHUSA-N 2 0 212.337 1.226 20 0 BDADRP Cc1ccc(NCC[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)nc1 ZINC000925878007 635604269 /nfs/dbraw/zinc/60/42/69/635604269.db2.gz OQIILEGTYDBHQX-STQMWFEESA-N 2 0 248.374 1.390 20 0 BDADRP Cc1ccc(NCC[NH2+]C2CC[NH2+]CC2)nc1 ZINC000925878769 635605568 /nfs/dbraw/zinc/60/55/68/635605568.db2.gz ZLFIKWMDXXONKP-UHFFFAOYSA-N 2 0 234.347 1.144 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925880881 635610196 /nfs/dbraw/zinc/61/01/96/635610196.db2.gz WEZHTPVBRGNCBX-NDBYEHHHSA-N 3 0 225.380 1.092 20 0 BDADRP CCCN1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC000891438364 631261377 /nfs/dbraw/zinc/26/13/77/631261377.db2.gz LHPYKHDFHMCMBH-UHFFFAOYSA-N 2 0 239.407 1.356 20 0 BDADRP CC(C)([NH3+])CC[NH2+]C[C@@H]1CCCOC1 ZINC000308561470 631432253 /nfs/dbraw/zinc/43/22/53/631432253.db2.gz XOKBLFPRDBMFSQ-JTQLQIEISA-N 2 0 200.326 1.130 20 0 BDADRP C[N@@H+]1C[C@@H]2C[NH+](CC3=CCCC3)C[C@]2(C)C1 ZINC000933734393 631495447 /nfs/dbraw/zinc/49/54/47/631495447.db2.gz RWRTWBMVJPVQQI-KGLIPLIRSA-N 2 0 220.360 1.980 20 0 BDADRP CC[N@H+](CCc1ccccn1)CC1CC[NH2+]CC1 ZINC000094024919 631573392 /nfs/dbraw/zinc/57/33/92/631573392.db2.gz SDAQKMGBJFUNIC-UHFFFAOYSA-N 2 0 247.386 1.946 20 0 BDADRP Cc1nnsc1CN1CCC[C@H](C[NH3+])C1 ZINC000309004909 631798960 /nfs/dbraw/zinc/79/89/60/631798960.db2.gz TZFWLJVDKQLGHK-SECBINFHSA-N 2 0 226.349 1.017 20 0 BDADRP CC[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000309056631 631832162 /nfs/dbraw/zinc/83/21/62/631832162.db2.gz RTBGNVBDZOTMCT-OLZOCXBDSA-N 2 0 226.364 1.175 20 0 BDADRP CCC([NH3+])(CC)C[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000158633519 631919204 /nfs/dbraw/zinc/91/92/04/631919204.db2.gz CRELKUGWGUKYCU-GHMZBOCLSA-N 2 0 214.353 1.519 20 0 BDADRP CC[NH+](CC)CC(=O)N(C)C1CCC([NH3+])CC1 ZINC000161405516 632001619 /nfs/dbraw/zinc/00/16/19/632001619.db2.gz XWAJZVQOXULQLE-UHFFFAOYSA-N 2 0 241.379 1.057 20 0 BDADRP CC(C)(C)CC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000308868034 632013417 /nfs/dbraw/zinc/01/34/17/632013417.db2.gz RHUPHDGJCUOHRO-NWDGAFQWSA-N 2 0 210.365 1.964 20 0 BDADRP COc1ccc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)cc1 ZINC000075072496 632029346 /nfs/dbraw/zinc/02/93/46/632029346.db2.gz ZMCCKFZJXHOBND-CYBMUJFWSA-N 2 0 234.343 1.866 20 0 BDADRP CNC(=[NH2+])NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000052020236 632043555 /nfs/dbraw/zinc/04/35/55/632043555.db2.gz SJKLXDKELHPPHL-CMPLNLGQSA-N 2 0 226.368 1.241 20 0 BDADRP CC[NH+](CC)CCCNC(=[NH2+])NC(C)(C)C ZINC000052041271 632051214 /nfs/dbraw/zinc/05/12/14/632051214.db2.gz ODDCHHPXBPXMOF-UHFFFAOYSA-N 2 0 228.384 1.631 20 0 BDADRP CC[NH+]1CCC(CNC(=[NH2+])NC(C)(C)C)CC1 ZINC000052044415 632052012 /nfs/dbraw/zinc/05/20/12/632052012.db2.gz BWLMKUBGICMMKK-UHFFFAOYSA-N 2 0 240.395 1.631 20 0 BDADRP CC(C)CNC(=[NH2+])NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000052043293 632054809 /nfs/dbraw/zinc/05/48/09/632054809.db2.gz RWXOFYMCBVZREJ-GFCCVEGCSA-N 2 0 240.395 1.487 20 0 BDADRP CCC(CC)(CO)C[NH2+]CC1CC[NH+](C)CC1 ZINC000161558371 632082693 /nfs/dbraw/zinc/08/26/93/632082693.db2.gz MIQVVVBOHOSGAA-UHFFFAOYSA-N 2 0 242.407 1.717 20 0 BDADRP C[NH+]1CCC(C[NH2+]CCCn2cccn2)CC1 ZINC000126311907 635759706 /nfs/dbraw/zinc/75/97/06/635759706.db2.gz YDDIWIDBDHFTTJ-UHFFFAOYSA-N 2 0 236.363 1.205 20 0 BDADRP C[C@@H](O)C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227536199 632429800 /nfs/dbraw/zinc/42/98/00/632429800.db2.gz USSFRRDPOWPLCP-GGZOMVNGSA-N 2 0 206.289 1.102 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H](O)C1CCC1 ZINC000926552955 632490553 /nfs/dbraw/zinc/49/05/53/632490553.db2.gz PUAZNIPYGUKWEZ-WJLOJVBCSA-N 2 0 238.375 1.077 20 0 BDADRP CC[C@H](C)C[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000309056714 632631861 /nfs/dbraw/zinc/63/18/61/632631861.db2.gz ZMYCQXJMJYRZQZ-STQMWFEESA-N 2 0 228.380 1.421 20 0 BDADRP C[C@@H]1CCCN1CC[NH2+]C[C@H]1CCC=CO1 ZINC000309755590 632665329 /nfs/dbraw/zinc/66/53/29/632665329.db2.gz HNEANGUVUNAZOF-CHWSQXEVSA-N 2 0 224.348 1.753 20 0 BDADRP C[NH+](C)C(C)(C)CNC(=[NH2+])NC(C)(C)C ZINC000052044954 632781711 /nfs/dbraw/zinc/78/17/11/632781711.db2.gz VSBCCBGZJCDTGU-UHFFFAOYSA-N 2 0 214.357 1.239 20 0 BDADRP C[C@@H]([NH2+]CCc1ccncc1)C1CC[NH+](C)CC1 ZINC000048261713 635821806 /nfs/dbraw/zinc/82/18/06/635821806.db2.gz QVVZNEWGQJNGQZ-CYBMUJFWSA-N 2 0 247.386 1.944 20 0 BDADRP C[NH+](C)[C@H](CNC(=[NH2+])NC1CCCC1)C1CC1 ZINC000066245686 632861299 /nfs/dbraw/zinc/86/12/99/632861299.db2.gz KSVXXDRSKAVIFQ-GFCCVEGCSA-N 2 0 238.379 1.383 20 0 BDADRP C([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C1CCCC1 ZINC000328544487 633773331 /nfs/dbraw/zinc/77/33/31/633773331.db2.gz LNEXTYAFHQLHPT-QSLWVIQJSA-N 2 0 220.360 1.763 20 0 BDADRP C[C@H](O)C[C@H](C)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925511006 633851448 /nfs/dbraw/zinc/85/14/48/633851448.db2.gz DKVNANZJTSIHGE-AVGNSLFASA-N 2 0 240.391 1.658 20 0 BDADRP CC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)OC ZINC000309271447 633878206 /nfs/dbraw/zinc/87/82/06/633878206.db2.gz DDTNKMUNOUFPNV-PSEXLTFBSA-N 2 0 226.364 1.626 20 0 BDADRP C(C[NH2+][C@H]1CC[NH2+]C12CCC2)COCC1CC1 ZINC000925520824 633882642 /nfs/dbraw/zinc/88/26/42/633882642.db2.gz SSUPBLKRBRUMLE-ZDUSSCGKSA-N 2 0 238.375 1.677 20 0 BDADRP CO[C@H]1CCC[C@@H]1[NH2+]CC(C)(C)C[NH+](C)C ZINC000309375210 633903358 /nfs/dbraw/zinc/90/33/58/633903358.db2.gz QCVALUVNSIINJO-RYUDHWBXSA-N 2 0 228.380 1.731 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000925536955 633937963 /nfs/dbraw/zinc/93/79/63/633937963.db2.gz UCGJCMWWCJHNOC-WDEREUQCSA-N 2 0 212.337 1.286 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]CCNc2ccccc2)C12CCC2 ZINC000925537574 633939645 /nfs/dbraw/zinc/93/96/45/633939645.db2.gz MHJUGFUDEALUNY-KBPBESRZSA-N 2 0 245.370 1.958 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCNc2ccccc2)C12CCC2 ZINC000925537577 633940067 /nfs/dbraw/zinc/94/00/67/633940067.db2.gz MHJUGFUDEALUNY-ZIAGYGMSSA-N 2 0 245.370 1.958 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)COC(C)C)C1 ZINC000309955500 633978054 /nfs/dbraw/zinc/97/80/54/633978054.db2.gz IBIHXAOATKLVJS-CHWSQXEVSA-N 2 0 228.380 1.731 20 0 BDADRP CC(C)(CO)CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925614196 634156055 /nfs/dbraw/zinc/15/60/55/634156055.db2.gz BQOSKQWCSGGBLG-LLVKDONJSA-N 2 0 226.364 1.269 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCc3c[nH]nc3C2)C12CCC2 ZINC000925616603 634163400 /nfs/dbraw/zinc/16/34/00/634163400.db2.gz SFNANMGOXGSCJA-CYZMBNFOSA-N 2 0 246.358 1.127 20 0 BDADRP CCC[C@@H](CCO)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925620792 634180889 /nfs/dbraw/zinc/18/08/89/634180889.db2.gz BGRVMQXDIARQLH-STQMWFEESA-N 2 0 240.391 1.659 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ncccc1F ZINC000925621522 634181706 /nfs/dbraw/zinc/18/17/06/634181706.db2.gz ICAGSOWTWLUBDN-QLHKPRNWSA-N 2 0 249.333 1.826 20 0 BDADRP C[C@@H]1[C@H]([NH+](C)C)CCN1CC[NH+]1CCCCC1 ZINC000931043892 634195519 /nfs/dbraw/zinc/19/55/19/634195519.db2.gz RHIKTPSCFRTJPC-ZIAGYGMSSA-N 2 0 239.407 1.497 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@@H]1CCC[C@H]1CCO ZINC000925645402 634198142 /nfs/dbraw/zinc/19/81/42/634198142.db2.gz QBRTUENIVDZUKP-TUAOUCFPSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@@H](CCO)CC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925680892 634278670 /nfs/dbraw/zinc/27/86/70/634278670.db2.gz RULATRVXRFOWIG-GHMZBOCLSA-N 2 0 214.353 1.125 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCC=CO2)C1 ZINC000193951605 634300602 /nfs/dbraw/zinc/30/06/02/634300602.db2.gz MEXJAPOOADEFHW-STQMWFEESA-N 2 0 224.348 1.563 20 0 BDADRP CC[NH2+]CCCN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925689826 634308127 /nfs/dbraw/zinc/30/81/27/634308127.db2.gz IRYXEAGHNHUVOD-NWDGAFQWSA-N 2 0 227.396 1.482 20 0 BDADRP C[C@H]([NH3+])[C@H](NC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000925691982 634322216 /nfs/dbraw/zinc/32/22/16/634322216.db2.gz LCRRBGOJGVWMDV-YUTCNCBUSA-N 2 0 233.359 1.417 20 0 BDADRP C[C@H](N)[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccccc1 ZINC000925692613 634324200 /nfs/dbraw/zinc/32/42/00/634324200.db2.gz OJFQLMRZNRDAKI-SWLSCSKDSA-N 2 0 247.386 1.664 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925693075 634324882 /nfs/dbraw/zinc/32/48/82/634324882.db2.gz ODPAGDOIEBDSGX-GXTWGEPZSA-N 3 0 235.375 1.794 20 0 BDADRP C[C@H]([NH3+])[C@@H](NCC[NH2+]C1CC1)c1ccccc1 ZINC000925692533 634326046 /nfs/dbraw/zinc/32/60/46/634326046.db2.gz MFGLCPOMZYGNSY-SMDDNHRTSA-N 2 0 233.359 1.417 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1NCc1ccc(CC[NH3+])cc1 ZINC000925694288 634338351 /nfs/dbraw/zinc/33/83/51/634338351.db2.gz RTSKZUVEYGIXJH-SWLSCSKDSA-N 2 0 247.386 1.418 20 0 BDADRP C[C@H]([NH3+])[C@H](N[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000925695952 634352765 /nfs/dbraw/zinc/35/27/65/634352765.db2.gz YWYRFVNKMFOMKA-DRZSPHRISA-N 2 0 219.332 1.026 20 0 BDADRP CC[NH2+]CCN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925695814 634353395 /nfs/dbraw/zinc/35/33/95/634353395.db2.gz XYCZPHIUTLGSQN-WDEREUQCSA-N 2 0 213.369 1.092 20 0 BDADRP C[C@H]([NH3+])c1ccc(CN[C@@H]2CC[NH2+]C2(C)C)cc1 ZINC000925697367 634360717 /nfs/dbraw/zinc/36/07/17/634360717.db2.gz FBROYDNPEQTPCI-SMDDNHRTSA-N 2 0 247.386 1.936 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000398469091 634365007 /nfs/dbraw/zinc/36/50/07/634365007.db2.gz DNPCGPIOBNXRMW-JSGCOSHPSA-N 2 0 242.407 1.857 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@@H](NCC2([NH3+])CCC2)C1 ZINC000925699702 634367637 /nfs/dbraw/zinc/36/76/37/634367637.db2.gz PRHAFMJONIPJFW-WDEREUQCSA-N 2 0 225.380 1.363 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925700844 634372484 /nfs/dbraw/zinc/37/24/84/634372484.db2.gz WVJBCOJBZHMKCF-TZMCWYRMSA-N 3 0 235.375 1.651 20 0 BDADRP C[C@@H]1C[C@@H](NCc2cc(N)cc[nH+]2)C[N@@H+]1C1CC1 ZINC000925771497 635207781 /nfs/dbraw/zinc/20/77/81/635207781.db2.gz MHQIZXUPNHNXNJ-ZWNOBZJWSA-N 2 0 246.358 1.379 20 0 BDADRP COc1ccccc1C[NH2+]CCC(C)(C)[NH3+] ZINC000258923121 635224799 /nfs/dbraw/zinc/22/47/99/635224799.db2.gz ORHPENQNUMNCES-UHFFFAOYSA-N 2 0 222.332 1.912 20 0 BDADRP CN(C[C@H]1CCC[NH2+]1)C[C@@H]1CCC[N@H+](C)C1 ZINC000258946363 635228805 /nfs/dbraw/zinc/22/88/05/635228805.db2.gz QXHRIGNZUXSLOZ-CHWSQXEVSA-N 2 0 225.380 1.012 20 0 BDADRP C(C[C@H]1CCCO1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000925774234 635233868 /nfs/dbraw/zinc/23/38/68/635233868.db2.gz LOENNWGHGRCSHB-IGQOVBAYSA-N 2 0 238.375 1.533 20 0 BDADRP C[C@@H]([NH2+]C1CCN(CC[NH3+])CC1)c1ccccc1 ZINC000259231356 635258836 /nfs/dbraw/zinc/25/88/36/635258836.db2.gz LBCVUDCKWWERFE-CYBMUJFWSA-N 2 0 247.386 1.760 20 0 BDADRP C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCCCCC[NH3+] ZINC000310182599 635331584 /nfs/dbraw/zinc/33/15/84/635331584.db2.gz WSLNZONMQZWKOC-NWDGAFQWSA-N 2 0 241.379 1.091 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ncc[nH]1 ZINC000925796491 635333795 /nfs/dbraw/zinc/33/37/95/635333795.db2.gz RKNHXKZRAKRPPF-OUAUKWLOSA-N 2 0 222.336 1.306 20 0 BDADRP Cc1n[nH]cc1[C@H](C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925798126 635336724 /nfs/dbraw/zinc/33/67/24/635336724.db2.gz PYOAZHJPYIIGNG-JFGNBEQYSA-N 2 0 236.363 1.614 20 0 BDADRP CC(C)[C@H]([NH2+]CCN1CCC([NH3+])CC1)C1CC1 ZINC000925815998 635383375 /nfs/dbraw/zinc/38/33/75/635383375.db2.gz VQFTWRVELOECKN-AWEZNQCLSA-N 2 0 239.407 1.434 20 0 BDADRP CCC(C)(C)[C@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925816549 635386866 /nfs/dbraw/zinc/38/68/66/635386866.db2.gz HSRAAOCLWOUXCW-LBPRGKRZSA-N 2 0 241.423 1.824 20 0 BDADRP CC(C)[C@H]1CC[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925817331 635387382 /nfs/dbraw/zinc/38/73/82/635387382.db2.gz QFGSQAYVSRZQRI-KGLIPLIRSA-N 2 0 239.407 1.434 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925859794 635552944 /nfs/dbraw/zinc/55/29/44/635552944.db2.gz SCCGDJZRJUUCIS-XNBXPENISA-N 2 0 238.375 1.124 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@H]1c2ccccc2CC[C@H]1O ZINC000925891420 635618066 /nfs/dbraw/zinc/61/80/66/635618066.db2.gz VKPORXISTUYFCC-FKGLVLAHSA-N 2 0 248.370 1.750 20 0 BDADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C1CCCC1 ZINC000237961682 635620108 /nfs/dbraw/zinc/62/01/08/635620108.db2.gz TVRNGQYGFZXVHA-AWEZNQCLSA-N 2 0 240.391 1.756 20 0 BDADRP Cc1ncoc1CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000894173286 635740098 /nfs/dbraw/zinc/74/00/98/635740098.db2.gz MLARHJHQJHAWPE-NSHDSACASA-N 2 0 235.331 1.557 20 0 BDADRP C[NH+]1CCC(C[NH+]2CC(OC(C)(C)C)C2)CC1 ZINC000895872715 636178889 /nfs/dbraw/zinc/17/88/89/636178889.db2.gz LCXQPJOSKXMDTI-UHFFFAOYSA-N 2 0 240.391 1.828 20 0 BDADRP CC[NH+](CC)CCC[NH2+]Cc1cc[nH]c(=O)c1 ZINC000233456105 636621380 /nfs/dbraw/zinc/62/13/80/636621380.db2.gz ONKMLVULOUSJGG-UHFFFAOYSA-N 2 0 237.347 1.196 20 0 BDADRP Cc1cc(NC(=O)CCCC[NH+](C)C)ccn1 ZINC000729513017 636816558 /nfs/dbraw/zinc/81/65/58/636816558.db2.gz RXOIIKNGRDYWCW-UHFFFAOYSA-N 2 0 235.331 1.482 20 0 BDADRP COCC(C)(C)C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000897621705 636825869 /nfs/dbraw/zinc/82/58/69/636825869.db2.gz OZDMUXISSZJRQQ-GXTWGEPZSA-N 2 0 240.391 1.543 20 0 BDADRP C[C@H]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)O1 ZINC000322401579 636862972 /nfs/dbraw/zinc/86/29/72/636862972.db2.gz VCMXVCHFPCDXIT-APYLGABCSA-N 2 0 238.375 1.769 20 0 BDADRP CC[C@H](CO)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902363369 637299160 /nfs/dbraw/zinc/29/91/60/637299160.db2.gz LRELMQPAZHQODX-GHMZBOCLSA-N 2 0 214.353 1.125 20 0 BDADRP C[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H]1CCO ZINC000903463438 637365079 /nfs/dbraw/zinc/36/50/79/637365079.db2.gz AZGHXYCAXUSNMU-YIYPIFLZSA-N 2 0 240.391 1.597 20 0 BDADRP C[C@@H](CO)[C@@H]1CCCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903463589 637365261 /nfs/dbraw/zinc/36/52/61/637365261.db2.gz GEXPWAMAQGOXTG-CRWXNKLISA-N 2 0 240.391 1.597 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000903463607 637365620 /nfs/dbraw/zinc/36/56/20/637365620.db2.gz GNVYACUFVWQSOT-RQJABVFESA-N 2 0 238.375 1.200 20 0 BDADRP [NH3+]CCC[N@@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000903565778 637370215 /nfs/dbraw/zinc/37/02/15/637370215.db2.gz QCWHKZFGZUVCPW-LLVKDONJSA-N 2 0 239.388 1.746 20 0 BDADRP O[C@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C[C@@H]1F ZINC000903841598 637384862 /nfs/dbraw/zinc/38/48/62/637384862.db2.gz YJHJBEJYKIRYSM-STQMWFEESA-N 2 0 244.354 1.171 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cncc(O)c2)C1 ZINC000904432823 637400479 /nfs/dbraw/zinc/40/04/79/637400479.db2.gz GZDULWCSPRMVMM-GHMZBOCLSA-N 2 0 221.304 1.147 20 0 BDADRP CC(C)[C@@H](C[NH3+])CN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000904430302 637400531 /nfs/dbraw/zinc/40/05/31/637400531.db2.gz QXLMYWAADGWIIA-UONOGXRCSA-N 2 0 239.407 1.435 20 0 BDADRP CC[C@H]1C[C@H](C[NH2+]CC2([NH3+])CC2)CCO1 ZINC000904448553 637413376 /nfs/dbraw/zinc/41/33/76/637413376.db2.gz BDYJQWGLOFCZHK-MNOVXSKESA-N 2 0 212.337 1.273 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](N[C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000904458247 637421108 /nfs/dbraw/zinc/42/11/08/637421108.db2.gz CQBZOGCNMMTXNF-QMGNLALYSA-N 2 0 245.370 1.199 20 0 BDADRP C([NH2+][C@H]1COC[C@H]1C1CC1)C1CC[NH2+]CC1 ZINC000904475812 637425356 /nfs/dbraw/zinc/42/53/56/637425356.db2.gz MRMSDMKKAOFFOB-STQMWFEESA-N 2 0 224.348 1.001 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCCN(C/C=C\Cl)C1 ZINC000252461835 637435941 /nfs/dbraw/zinc/43/59/41/637435941.db2.gz YGOZISKGQDJMDC-XMWDXMLXSA-N 2 0 202.729 1.798 20 0 BDADRP CCCN(C(=O)[C@@](C)([NH3+])CCC)[C@@H]1CC[NH2+]C1 ZINC000904926885 637532072 /nfs/dbraw/zinc/53/20/72/637532072.db2.gz YGRAEDHBUNNJAJ-YPMHNXCESA-N 2 0 241.379 1.104 20 0 BDADRP CCC[C@H](C)CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000905423874 637811785 /nfs/dbraw/zinc/81/17/85/637811785.db2.gz XQWYRNXZMSKHRD-UONOGXRCSA-N 2 0 242.407 1.859 20 0 BDADRP [NH3+][C@@H]1CC[C@H](CSCC2CC[NH2+]CC2)C1 ZINC000905734498 637902604 /nfs/dbraw/zinc/90/26/04/637902604.db2.gz KOGWYUAPFUHIII-NWDGAFQWSA-N 2 0 228.405 1.847 20 0 BDADRP [NH3+]C1CC([NH2+]Cc2cccc3cnccc32)C1 ZINC000906509279 638182618 /nfs/dbraw/zinc/18/26/18/638182618.db2.gz FGMLCRPMKFJHBC-UHFFFAOYSA-N 2 0 227.311 1.814 20 0 BDADRP [NH3+]C1CC([NH2+]C/C=C\c2ccccc2)C1 ZINC000906510743 638183096 /nfs/dbraw/zinc/18/30/96/638183096.db2.gz UJAREXSITVWDRX-DAXSKMNVSA-N 2 0 202.301 1.779 20 0 BDADRP CC[C@@H](CO)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000930309506 639695502 /nfs/dbraw/zinc/69/55/02/639695502.db2.gz KMBHLYWBLZEBNO-ZDUSSCGKSA-N 2 0 240.391 1.565 20 0 BDADRP CC(C)(C)[C@@H]([NH3+])CC(=O)Nc1cccc(C[NH3+])c1 ZINC000911647654 639702376 /nfs/dbraw/zinc/70/23/76/639702376.db2.gz DRGOBWOTISEZTG-LBPRGKRZSA-N 2 0 249.358 1.847 20 0 BDADRP [NH3+]Cc1cccc(NC(=O)[C@]23C[C@H]2CCC[NH2+]3)c1 ZINC000911648885 639703786 /nfs/dbraw/zinc/70/37/86/639703786.db2.gz NFYKXVDHGWEURY-RISCZKNCSA-N 2 0 245.326 1.226 20 0 BDADRP CC[NH2+]CCNC(=O)[C@@H]([NH3+])C1CCCCCC1 ZINC000911750194 639775567 /nfs/dbraw/zinc/77/55/67/639775567.db2.gz HUTXIELAOCPTBT-LBPRGKRZSA-N 2 0 241.379 1.010 20 0 BDADRP CC[C@@H](C)C[C@H]([NH3+])C(=O)NCCC[NH2+]C(C)C ZINC000911764468 639791070 /nfs/dbraw/zinc/79/10/70/639791070.db2.gz TWNRTKMVXWHCPA-NEPJUHHUSA-N 2 0 243.395 1.254 20 0 BDADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000911831621 639842797 /nfs/dbraw/zinc/84/27/97/639842797.db2.gz LWIAPPFGFHEDIA-DMDPSCGWSA-N 2 0 243.395 1.240 20 0 BDADRP CC(C)[C@@](C)(C[NH3+])NC(=O)C[C@@H]([NH3+])C(C)(C)C ZINC000911835348 639846782 /nfs/dbraw/zinc/84/67/82/639846782.db2.gz ZRSFRKCJLXDMMS-ZWNOBZJWSA-N 2 0 243.395 1.240 20 0 BDADRP C[NH2+]CCCCC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000911872349 639854545 /nfs/dbraw/zinc/85/45/45/639854545.db2.gz YJJKZLNABZOCTQ-GFCCVEGCSA-N 2 0 243.395 1.208 20 0 BDADRP C[C@H]1[C@H]([NH+](C)C)CCN1C[C@H]1CCC[N@@H+]1C ZINC000931036512 640031179 /nfs/dbraw/zinc/03/11/79/640031179.db2.gz GMCXHBYTGXLVLT-YNEHKIRRSA-N 2 0 225.380 1.105 20 0 BDADRP CO[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156075902 640130530 /nfs/dbraw/zinc/13/05/30/640130530.db2.gz IZLQCRPEUYXUOL-YIYPIFLZSA-N 2 0 238.375 1.770 20 0 BDADRP CC[C@H](CO)[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931353522 640167721 /nfs/dbraw/zinc/16/77/21/640167721.db2.gz FBINLMYJTVIPEK-LLVKDONJSA-N 2 0 214.353 1.173 20 0 BDADRP CCOCCC[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931351268 640168339 /nfs/dbraw/zinc/16/83/39/640168339.db2.gz JFJLRUYJNWWMSN-UHFFFAOYSA-N 2 0 228.380 1.829 20 0 BDADRP Cc1cc(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)no1 ZINC000931431951 640200177 /nfs/dbraw/zinc/20/01/77/640200177.db2.gz GUCVGMIQJKSIRH-NEPJUHHUSA-N 2 0 235.331 1.367 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](C3CCCC3)C[C@@H]2C1 ZINC000931437024 640202525 /nfs/dbraw/zinc/20/25/25/640202525.db2.gz CRNMXMVMTAKNJX-NEPJUHHUSA-N 2 0 208.349 1.813 20 0 BDADRP CC(C)[C@@H](O)CN1CCc2[nH+]ccc(N)c2C1 ZINC000931520179 640251034 /nfs/dbraw/zinc/25/10/34/640251034.db2.gz YBDNZIFYOQQGFC-ZDUSSCGKSA-N 2 0 235.331 1.039 20 0 BDADRP CC[C@H](CO)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000931704087 640326176 /nfs/dbraw/zinc/32/61/76/640326176.db2.gz PPPFNVPPRRZYKS-CQSZACIVSA-N 2 0 242.407 1.955 20 0 BDADRP C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2CC[NH+]1CCCC1 ZINC000931718797 640333227 /nfs/dbraw/zinc/33/32/27/640333227.db2.gz WMNWYKWRCAQFIR-UONOGXRCSA-N 2 0 237.391 1.251 20 0 BDADRP CC[C@@H](CO)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000931763351 640356955 /nfs/dbraw/zinc/35/69/55/640356955.db2.gz GLSXFWDHJLNGMF-STQMWFEESA-N 2 0 249.358 1.363 20 0 BDADRP C[N@H+](Cc1cscn1)C1CCC([NH3+])CC1 ZINC000055144642 640438735 /nfs/dbraw/zinc/43/87/35/640438735.db2.gz SRVUNHMDTDMVHN-UHFFFAOYSA-N 2 0 225.361 1.845 20 0 BDADRP CCC(CC)(C[NH3+])C(=O)NCC(C)(C)[NH+](C)C ZINC000044764319 640461668 /nfs/dbraw/zinc/46/16/68/640461668.db2.gz KONWGYSXACCVTP-UHFFFAOYSA-N 2 0 243.395 1.208 20 0 BDADRP CCC[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000717975093 711492755 /nfs/dbraw/zinc/49/27/55/711492755.db2.gz MVNIEXDZEWHWSN-AGIUHOORSA-N 2 0 226.364 1.615 20 0 BDADRP CC(C)C[C@](C)(C[NH3+])NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000157515823 640690891 /nfs/dbraw/zinc/69/08/91/640690891.db2.gz BNSJNLZTBZEVFY-WCQYABFASA-N 2 0 241.379 1.008 20 0 BDADRP Cc1nccn1CC[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000933399119 640713757 /nfs/dbraw/zinc/71/37/57/640713757.db2.gz QZJOCSCRHZBDIP-UHFFFAOYSA-N 2 0 246.314 1.424 20 0 BDADRP Cc1c(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cnn1C ZINC000226299283 640746020 /nfs/dbraw/zinc/74/60/20/640746020.db2.gz KBLWNZRNRPYUCU-VXGBXAGGSA-N 2 0 222.336 1.088 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](CCCCCCO)C1 ZINC000226418961 640762293 /nfs/dbraw/zinc/76/22/93/640762293.db2.gz XBRPMDBFXRSKGG-LBPRGKRZSA-N 2 0 214.353 1.210 20 0 BDADRP Cc1ccc(O)c(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)n1 ZINC000227058293 640813449 /nfs/dbraw/zinc/81/34/49/640813449.db2.gz MCKSRWCYJAFQIG-GXSJLCMTSA-N 2 0 235.331 1.265 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2CSCCS2)C1 ZINC000229583146 640968165 /nfs/dbraw/zinc/96/81/65/640968165.db2.gz MAMTVODPJWLYHZ-OUAUKWLOSA-N 2 0 246.445 1.695 20 0 BDADRP COc1cc(C[NH2+]CC2CC[NH+](C)CC2)ccn1 ZINC000062058162 641016169 /nfs/dbraw/zinc/01/61/69/641016169.db2.gz MTTSQTQPSGQUDN-UHFFFAOYSA-N 2 0 249.358 1.522 20 0 BDADRP C[NH+]1CCC(C[NH2+]C[C@H]2COC(C)(C)O2)CC1 ZINC000230212187 641038604 /nfs/dbraw/zinc/03/86/04/641038604.db2.gz XSUWSNYXFFEHLI-LBPRGKRZSA-N 2 0 242.363 1.069 20 0 BDADRP CO[C@H]1CCC[N@H+](CCCCCC[NH3+])C1 ZINC000230314856 641046908 /nfs/dbraw/zinc/04/69/08/641046908.db2.gz BEIFTYBCLBRFQU-LBPRGKRZSA-N 2 0 214.353 1.616 20 0 BDADRP CCC[NH+]1CCN(C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000062861794 641099942 /nfs/dbraw/zinc/09/99/42/641099942.db2.gz UNJVYXYUYKXTNG-CQSZACIVSA-N 2 0 239.407 1.404 20 0 BDADRP CC[C@H]1CN(C[C@]2(C)CCC[NH2+]C2)CCO1 ZINC000062862036 641101938 /nfs/dbraw/zinc/10/19/38/641101938.db2.gz CXFBFPYIRYTJMS-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP C[N@H+](C[C@@H]1CCCO1)C[C@]1(C)CC[NH2+]C1 ZINC000062911664 641107652 /nfs/dbraw/zinc/10/76/52/641107652.db2.gz PCHJDPMOVTUYHV-NWDGAFQWSA-N 2 0 212.337 1.097 20 0 BDADRP [NH2+]=C(NCCC[NH+]1CCCC1)NC1CCCC1 ZINC000060394395 641177950 /nfs/dbraw/zinc/17/79/50/641177950.db2.gz ACCJALHKOXUOKC-UHFFFAOYSA-N 2 0 238.379 1.529 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000232148413 641248704 /nfs/dbraw/zinc/24/87/04/641248704.db2.gz MTADJXULERDSCG-OLZOCXBDSA-N 2 0 226.364 1.208 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@@H](O)CC1CCCC1 ZINC000232148783 641248760 /nfs/dbraw/zinc/24/87/60/641248760.db2.gz LAHRMNJAYXJZCG-XBFCOCLRSA-N 2 0 240.391 1.739 20 0 BDADRP COC/C(C)=C\C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000929698909 641404305 /nfs/dbraw/zinc/40/43/05/641404305.db2.gz BXLMPCPKKIIWLX-LVOZBFFPSA-N 2 0 240.391 1.853 20 0 BDADRP C[C@H]1C[C@H]1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261553187 641444201 /nfs/dbraw/zinc/44/42/01/641444201.db2.gz SHGKIVNOEZGYBT-MSXOGSJSSA-N 2 0 208.349 1.857 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000043428003 641564384 /nfs/dbraw/zinc/56/43/84/641564384.db2.gz XQRZNCHOJRWLSA-QWHCGFSZSA-N 2 0 226.364 1.759 20 0 BDADRP CC(C)OCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000158927092 641657988 /nfs/dbraw/zinc/65/79/88/641657988.db2.gz PYCRPELDNVZWJL-GHMZBOCLSA-N 2 0 200.326 1.128 20 0 BDADRP C[C@H]1CCCN(C(=O)CCCCC[NH3+])[C@@H]1C[NH3+] ZINC000154149997 641971161 /nfs/dbraw/zinc/97/11/61/641971161.db2.gz OFTNENVZZJLAIM-NWDGAFQWSA-N 2 0 241.379 1.091 20 0 BDADRP CCCN1CC[NH+](C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000233034834 642647199 /nfs/dbraw/zinc/64/71/99/642647199.db2.gz VLWJZABDQKNZTP-KGLIPLIRSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCCCCCO)CC[N@@H+]1C ZINC000182147223 642960560 /nfs/dbraw/zinc/96/05/60/642960560.db2.gz IWRQNYMTHIZSSQ-OLZOCXBDSA-N 2 0 228.380 1.611 20 0 BDADRP C[N@H+](CCNC(=[NH2+])NC(C)(C)C)C1CCCC1 ZINC000071379491 643137770 /nfs/dbraw/zinc/13/77/70/643137770.db2.gz UNXKUXWUSUKRLK-UHFFFAOYSA-N 2 0 240.395 1.773 20 0 BDADRP CC[N@H+](CCNC(=[NH2+])NC1CCCC1)C(C)C ZINC000066246545 643165630 /nfs/dbraw/zinc/16/56/30/643165630.db2.gz NJWNTHZCTCABPF-UHFFFAOYSA-N 2 0 240.395 1.773 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCCCCC[NH3+])c2nccn21 ZINC000843343247 643307402 /nfs/dbraw/zinc/30/74/02/643307402.db2.gz YJYVNVPLKGRDCO-NWDGAFQWSA-N 2 0 236.363 1.998 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCCCCC[NH3+])c2nccn21 ZINC000843343249 643308136 /nfs/dbraw/zinc/30/81/36/643308136.db2.gz YJYVNVPLKGRDCO-VXGBXAGGSA-N 2 0 236.363 1.998 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCCCCC[NH3+])c2nccn21 ZINC000843343248 643308754 /nfs/dbraw/zinc/30/87/54/643308754.db2.gz YJYVNVPLKGRDCO-RYUDHWBXSA-N 2 0 236.363 1.998 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccccc1 ZINC000082560554 643343872 /nfs/dbraw/zinc/34/38/72/643343872.db2.gz USWPRPLMOWBRCZ-YPMHNXCESA-N 2 0 204.317 1.632 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](CCc2cccs2)C1 ZINC000082602402 643353081 /nfs/dbraw/zinc/35/30/81/643353081.db2.gz GPKLUXYQXOAJEU-NSHDSACASA-N 2 0 224.373 1.961 20 0 BDADRP COC[C@@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000085016198 643523538 /nfs/dbraw/zinc/52/35/38/643523538.db2.gz HKONFWNDQYOSDQ-UTUOFQBUSA-N 2 0 212.337 1.082 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2ccncc2)C1 ZINC000082931360 643528090 /nfs/dbraw/zinc/52/80/90/643528090.db2.gz DBTWWQYJMWOJAV-LLVKDONJSA-N 2 0 205.305 1.252 20 0 BDADRP CN(C)[C@@H]1CCC[N@H+](CCCCCC[NH3+])C1 ZINC000084420519 643661574 /nfs/dbraw/zinc/66/15/74/643661574.db2.gz RBKHVMBCKXDWSC-CYBMUJFWSA-N 2 0 227.396 1.532 20 0 BDADRP CN(C)[C@H]1CCC[N@H+](CCCCCC[NH3+])C1 ZINC000084420521 643661624 /nfs/dbraw/zinc/66/16/24/643661624.db2.gz RBKHVMBCKXDWSC-ZDUSSCGKSA-N 2 0 227.396 1.532 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@@H]1CCC=CO1 ZINC000050269604 643673284 /nfs/dbraw/zinc/67/32/84/643673284.db2.gz GHWLILQMMOOWET-NEPJUHHUSA-N 2 0 212.337 1.609 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCSCC2)C1 ZINC000085014471 643680193 /nfs/dbraw/zinc/68/01/93/643680193.db2.gz KJWKYVQMXJKGOM-VHSXEESVSA-N 2 0 200.351 1.163 20 0 BDADRP Cn1cc(CC[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cn1 ZINC000230048200 643765211 /nfs/dbraw/zinc/76/52/11/643765211.db2.gz RIZOQUJSELHVMN-BFHYXJOUSA-N 2 0 248.374 1.022 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2)CC[NH2+]1 ZINC000073657626 643782845 /nfs/dbraw/zinc/78/28/45/643782845.db2.gz CPEGPWYNJYLPJR-DGCLKSJQSA-N 2 0 204.317 1.917 20 0 BDADRP C[NH+]1CCN(c2cc[nH+]c3c(O)cccc23)CC1 ZINC000258396351 643813955 /nfs/dbraw/zinc/81/39/55/643813955.db2.gz ZHFBDUDCWQHEQY-UHFFFAOYSA-N 2 0 243.310 1.692 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000922820749 644110597 /nfs/dbraw/zinc/11/05/97/644110597.db2.gz JIDJALRDXCYLIM-IHRRRGAJSA-N 2 0 240.391 1.754 20 0 BDADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2cnc[nH]2)CC1 ZINC000922845175 644119868 /nfs/dbraw/zinc/11/98/68/644119868.db2.gz CKLRDHOUBPXOJM-UHFFFAOYSA-N 2 0 248.374 1.906 20 0 BDADRP CC[C@H]1CCCC[N@@H+]1CCNC(NC)=[NH+]C ZINC000073840198 644137346 /nfs/dbraw/zinc/13/73/46/644137346.db2.gz KREYKNJEZHKOJS-NSHDSACASA-N 2 0 226.368 1.046 20 0 BDADRP CCCCCC[C@@H](O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000923281919 644315023 /nfs/dbraw/zinc/31/50/23/644315023.db2.gz JJEZVCWWSNXJMG-ZIAGYGMSSA-N 2 0 242.407 1.988 20 0 BDADRP CCCN(CCC[NH2+]C1CC1)[C@@H]1CC[NH2+]C1 ZINC000923285613 644317213 /nfs/dbraw/zinc/31/72/13/644317213.db2.gz IIQSNINDKVTIIZ-CYBMUJFWSA-N 2 0 225.380 1.202 20 0 BDADRP C[N@H+](CCC[NH3+])C[C@@H](O)CCc1ccccc1 ZINC000923291525 644317290 /nfs/dbraw/zinc/31/72/90/644317290.db2.gz PHNDNMZWCQJIFL-AWEZNQCLSA-N 2 0 236.359 1.261 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC000923288867 644322510 /nfs/dbraw/zinc/32/25/10/644322510.db2.gz CYMMCAVXNZSWRO-CABCVRRESA-N 2 0 248.370 1.131 20 0 BDADRP CCCCCC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000923289791 644322891 /nfs/dbraw/zinc/32/28/91/644322891.db2.gz LZJFASCAHNUPAJ-IHRRRGAJSA-N 2 0 242.407 1.987 20 0 BDADRP CC[C@@H]1CCCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923299955 644326206 /nfs/dbraw/zinc/32/62/06/644326206.db2.gz KDELNESDAJMFBM-OLZOCXBDSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923300256 644326452 /nfs/dbraw/zinc/32/64/52/644326452.db2.gz PEKPPKVIIJJLHL-XQQFMLRXSA-N 2 0 238.375 1.343 20 0 BDADRP C([C@H]1CC2(C[NH2+]C2)CO1)[NH+]1CCCCCC1 ZINC000923299966 644327025 /nfs/dbraw/zinc/32/70/25/644327025.db2.gz KHRHVTXYZCIQPJ-GFCCVEGCSA-N 2 0 224.348 1.241 20 0 BDADRP CCCCCC[C@H](O)CN1CCC[C@@H]1C[NH3+] ZINC000923292739 644329008 /nfs/dbraw/zinc/32/90/08/644329008.db2.gz KXNRCIJGPKILSY-OLZOCXBDSA-N 2 0 228.380 1.741 20 0 BDADRP CCOCC[C@H](O)C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000923296259 644334302 /nfs/dbraw/zinc/33/43/02/644334302.db2.gz DPGSWWHIONYWAR-STQMWFEESA-N 2 0 246.395 1.079 20 0 BDADRP CC(C)[C@H]([NH3+])CCN(C)CCC[NH2+]C1CC1 ZINC000923297016 644335053 /nfs/dbraw/zinc/33/50/53/644335053.db2.gz MRIYPFVRLIXLLI-CYBMUJFWSA-N 3 0 227.396 1.434 20 0 BDADRP CCOCC[C@H](O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000923296258 644335811 /nfs/dbraw/zinc/33/58/11/644335811.db2.gz DPGSWWHIONYWAR-QWHCGFSZSA-N 2 0 246.395 1.079 20 0 BDADRP C[C@H]1CCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923298413 644337176 /nfs/dbraw/zinc/33/71/76/644337176.db2.gz BSVPJNKUONQCGZ-NWDGAFQWSA-N 2 0 224.348 1.097 20 0 BDADRP CC1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923298404 644337337 /nfs/dbraw/zinc/33/73/37/644337337.db2.gz BNYAZLIJSLDNFO-GFCCVEGCSA-N 2 0 224.348 1.097 20 0 BDADRP CCC[C@@H](C)[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923307830 644337941 /nfs/dbraw/zinc/33/79/41/644337941.db2.gz WXMVJERVKQJWGU-VXGBXAGGSA-N 2 0 226.364 1.485 20 0 BDADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCC3(CCCC3)C2)C1 ZINC000923312629 644340620 /nfs/dbraw/zinc/34/06/20/644340620.db2.gz LAMAZXCNOVVKQW-SRVKXCTJSA-N 2 0 224.348 1.103 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)[C@@H]1C ZINC000923314231 644340738 /nfs/dbraw/zinc/34/07/38/644340738.db2.gz DVVBLJKXLDDVOO-IJLUTSLNSA-N 2 0 224.348 1.095 20 0 BDADRP C[N@H+](CCc1cccs1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923318208 644344140 /nfs/dbraw/zinc/34/41/40/644344140.db2.gz XGXAQBIVVKAAII-DLOVCJGASA-N 2 0 240.372 1.073 20 0 BDADRP CC(C)[C@H]1CC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923317576 644344887 /nfs/dbraw/zinc/34/48/87/644344887.db2.gz FJIZZLZORHRRQN-STQMWFEESA-N 2 0 238.375 1.343 20 0 BDADRP C[C@@H]1CCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)[C@H]1C ZINC000923310578 644346183 /nfs/dbraw/zinc/34/61/83/644346183.db2.gz KDYAURYKEWHYHF-FRRDWIJNSA-N 2 0 238.375 1.485 20 0 BDADRP CC1(C)CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923311995 644347694 /nfs/dbraw/zinc/34/76/94/644347694.db2.gz FINXPTAYTNTMII-GFCCVEGCSA-N 2 0 238.375 1.487 20 0 BDADRP CC[C@H](O)C[N@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000923336969 644356983 /nfs/dbraw/zinc/35/69/83/644356983.db2.gz VKKFFAYGDFDBDU-RYUDHWBXSA-N 2 0 214.353 1.221 20 0 BDADRP CC[C@@H]1CN(CCC[NH2+]C2CC2)CC[C@@H]1[NH3+] ZINC000923343361 644362397 /nfs/dbraw/zinc/36/23/97/644362397.db2.gz AIFGAAPVCXVJTH-YPMHNXCESA-N 2 0 225.380 1.188 20 0 BDADRP CCc1ncc(CN2CCCC[C@@H]2CC[NH3+])o1 ZINC000923353920 644369080 /nfs/dbraw/zinc/36/90/80/644369080.db2.gz NZSIOHBNCBOTLF-LLVKDONJSA-N 2 0 237.347 1.940 20 0 BDADRP CC[C@@H](NC(C[NH3+])C[NH3+])c1ccc(F)cc1 ZINC000923351863 644369963 /nfs/dbraw/zinc/36/99/63/644369963.db2.gz OTTRLXDPEGCZNQ-GFCCVEGCSA-N 2 0 225.311 1.152 20 0 BDADRP CCCCCC[C@H](O)C[N@H+](C)C1CC([NH3+])C1 ZINC000923360553 644384899 /nfs/dbraw/zinc/38/48/99/644384899.db2.gz CINQHGFOVXEDOK-BPCQOVAHSA-N 2 0 228.380 1.739 20 0 BDADRP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C[C@@H]1O)[C@@H](C)c1ccccc1 ZINC000923378338 644391021 /nfs/dbraw/zinc/39/10/21/644391021.db2.gz KBXVIWBKXKAWRN-GCPZOVCVSA-N 2 0 248.370 1.619 20 0 BDADRP CC(C)[C@@H]([NH2+][C@H]1C[C@H]([NH3+])C[C@@H]1O)c1ccccc1 ZINC000923377579 644391517 /nfs/dbraw/zinc/39/15/17/644391517.db2.gz UXPQPIMJGPNFCL-ZQDZILKHSA-N 2 0 248.370 1.824 20 0 BDADRP CC(C)CC[C@H](O)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000923381419 644393638 /nfs/dbraw/zinc/39/36/38/644393638.db2.gz MPIXIXHOLCMYPV-ZDUSSCGKSA-N 2 0 240.391 1.611 20 0 BDADRP CC[C@H](C)[N@H+](CC)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923386171 644397922 /nfs/dbraw/zinc/39/79/22/644397922.db2.gz GCODKLOQNGWNCX-RYUDHWBXSA-N 2 0 226.364 1.485 20 0 BDADRP CCc1ncc(C[NH+]2CCC(CC[NH3+])CC2)o1 ZINC000923386191 644399224 /nfs/dbraw/zinc/39/92/24/644399224.db2.gz HCCPNBPFGKJWIY-UHFFFAOYSA-N 2 0 237.347 1.798 20 0 BDADRP CC(C)CC[C@H](O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000923388006 644399615 /nfs/dbraw/zinc/39/96/15/644399615.db2.gz QDCDNJGOBRLCOH-AWEZNQCLSA-N 2 0 242.407 1.844 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@H](O)Cc1ccccc1 ZINC000923393293 644401623 /nfs/dbraw/zinc/40/16/23/644401623.db2.gz OBIGSSRMDYBPJQ-VHDGCEQUSA-N 2 0 248.370 1.402 20 0 BDADRP FC1(F)CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923402357 644407881 /nfs/dbraw/zinc/40/78/81/644407881.db2.gz FKOJVUMKHJHJOD-JTQLQIEISA-N 2 0 246.301 1.096 20 0 BDADRP C[C@H]1C[N@H+](CCc2cccc(F)c2)C[C@@H]1C[NH3+] ZINC000923412587 644414298 /nfs/dbraw/zinc/41/42/98/644414298.db2.gz RJFHNACUHCHJHG-AAEUAGOBSA-N 2 0 236.334 1.895 20 0 BDADRP Cc1ccc([C@H](O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923413189 644416447 /nfs/dbraw/zinc/41/64/47/644416447.db2.gz UPKBSCVMWONHMW-BPLDGKMQSA-N 2 0 248.370 1.555 20 0 BDADRP C[N@@H+]1CC[C@@H]2CN(CCC[NH2+]C3CC3)CC[C@@H]21 ZINC000923414088 644416830 /nfs/dbraw/zinc/41/68/30/644416830.db2.gz JNKRNKPIFSHILV-OCCSQVGLSA-N 2 0 237.391 1.155 20 0 BDADRP CC[NH+](CC)CCNc1cc(C)[nH+]c(N)n1 ZINC000084148473 644417335 /nfs/dbraw/zinc/41/73/35/644417335.db2.gz LCOFVCJZEGARPK-UHFFFAOYSA-N 2 0 223.324 1.121 20 0 BDADRP C[C@H]1CCC(C)(C)[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923423209 644418782 /nfs/dbraw/zinc/41/87/82/644418782.db2.gz WBHRPDSBGLVKRQ-RYUDHWBXSA-N 2 0 238.375 1.628 20 0 BDADRP CC[NH+]1CCC(N[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000084220335 644420126 /nfs/dbraw/zinc/42/01/26/644420126.db2.gz SRMXHVVMPIANOE-WCQYABFASA-N 2 0 225.380 1.188 20 0 BDADRP CC(C)CC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000923427512 644421957 /nfs/dbraw/zinc/42/19/57/644421957.db2.gz BEXJILOGNFMQLF-MCIONIFRSA-N 2 0 242.407 1.700 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)[C@H](C)CO1 ZINC000084384784 644423452 /nfs/dbraw/zinc/42/34/52/644423452.db2.gz FBMCHMWCWZBNHS-UTUOFQBUSA-N 2 0 212.337 1.095 20 0 BDADRP C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1CCC[NH2+]C1CC1 ZINC000923435869 644427703 /nfs/dbraw/zinc/42/77/03/644427703.db2.gz LYKXKPSYZJKKKW-GRYCIOLGSA-N 2 0 225.380 1.199 20 0 BDADRP C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1CCC[NH2+]C1CC1 ZINC000923435872 644428975 /nfs/dbraw/zinc/42/89/75/644428975.db2.gz LYKXKPSYZJKKKW-WOPDTQHZSA-N 2 0 225.380 1.199 20 0 BDADRP CC(C)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923458509 644437514 /nfs/dbraw/zinc/43/75/14/644437514.db2.gz PQHNQJNJHJRSQE-LLVKDONJSA-N 2 0 212.337 1.225 20 0 BDADRP CC[C@@H](C)C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923450027 644439364 /nfs/dbraw/zinc/43/93/64/644439364.db2.gz DRTBUQVAKUVSBO-OLZOCXBDSA-N 2 0 240.391 1.862 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@H]2C[C@]23CCOC3)C1 ZINC000923480418 644459277 /nfs/dbraw/zinc/45/92/77/644459277.db2.gz YCODKYOBUKBWMR-UPJWGTAASA-N 2 0 224.348 1.084 20 0 BDADRP Cc1ccc(C)c(CN2CCC[C@@]([NH3+])(CO)C2)c1 ZINC000923481611 644459570 /nfs/dbraw/zinc/45/95/70/644459570.db2.gz ZXSQXHINDKZGNG-HNNXBMFYSA-N 2 0 248.370 1.589 20 0 BDADRP Cc1conc1C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923488070 644462056 /nfs/dbraw/zinc/46/20/56/644462056.db2.gz CZZLHSAKUZTYKD-GXSJLCMTSA-N 2 0 223.320 1.400 20 0 BDADRP CN(CC[N@@H+]1CC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000923484110 644462785 /nfs/dbraw/zinc/46/27/85/644462785.db2.gz VRZUHTVVUASRLK-AWEZNQCLSA-N 2 0 247.386 1.794 20 0 BDADRP Cc1csc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)n1 ZINC000923496274 644462993 /nfs/dbraw/zinc/46/29/93/644462993.db2.gz GZFRICQRBJSPEQ-ONGXEEELSA-N 2 0 239.388 1.868 20 0 BDADRP Cc1cc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)no1 ZINC000923490397 644465605 /nfs/dbraw/zinc/46/56/05/644465605.db2.gz NKBMFWMNJXQCKJ-GXSJLCMTSA-N 2 0 223.320 1.400 20 0 BDADRP C[C@H]1OCC[C@H]1C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923490964 644466372 /nfs/dbraw/zinc/46/63/72/644466372.db2.gz PJTLIJUBLWJQHB-NDBYEHHHSA-N 2 0 226.364 1.328 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC000923491942 644467104 /nfs/dbraw/zinc/46/71/04/644467104.db2.gz VIAKSFPDYTWUKP-NDBYEHHHSA-N 2 0 226.364 1.328 20 0 BDADRP Cc1ncc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)s1 ZINC000923491523 644467781 /nfs/dbraw/zinc/46/77/81/644467781.db2.gz IJNTWSCYKIBMPV-KOLCDFICSA-N 2 0 239.388 1.868 20 0 BDADRP C[C@@H]1C[N@H+](CC2CC=CC2)CC[C@@H]1C[NH3+] ZINC000923491774 644468241 /nfs/dbraw/zinc/46/82/41/644468241.db2.gz UDOKAQUUIFZRNE-DGCLKSJQSA-N 2 0 208.349 1.869 20 0 BDADRP C[C@H]1C[N@H+](CC2CC=CC2)CC[C@@H]1C[NH3+] ZINC000923491777 644468852 /nfs/dbraw/zinc/46/88/52/644468852.db2.gz UDOKAQUUIFZRNE-WCQYABFASA-N 2 0 208.349 1.869 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2C[C@@]23CCOC3)CC[C@H]1C[NH3+] ZINC000923494450 644469613 /nfs/dbraw/zinc/46/96/13/644469613.db2.gz XPQYNQIEAVUEIB-ZOBORPQBSA-N 2 0 238.375 1.330 20 0 BDADRP Cc1cc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)ncn1 ZINC000923493495 644470105 /nfs/dbraw/zinc/47/01/05/644470105.db2.gz HFJMTEISVLECLT-ZYHUDNBSSA-N 2 0 234.347 1.202 20 0 BDADRP CCN(CC)C[C@@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000086729639 644472062 /nfs/dbraw/zinc/47/20/62/644472062.db2.gz AOUVOMDMKBYDLQ-PNESKVBLSA-N 2 0 227.396 1.576 20 0 BDADRP Cc1nc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)oc1C ZINC000923497327 644472625 /nfs/dbraw/zinc/47/26/25/644472625.db2.gz DPKAQBSNTURWLZ-BXKDBHETSA-N 2 0 237.347 1.708 20 0 BDADRP Cc1cc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)on1 ZINC000923499551 644473702 /nfs/dbraw/zinc/47/37/02/644473702.db2.gz SNCJDJOIQJKOHV-GXSJLCMTSA-N 2 0 223.320 1.400 20 0 BDADRP Cc1ccncc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515687 644481266 /nfs/dbraw/zinc/48/12/66/644481266.db2.gz KJMOXPLFOVUMLO-GXTWGEPZSA-N 2 0 231.343 1.431 20 0 BDADRP C[C@H](c1cccnc1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518651 644482761 /nfs/dbraw/zinc/48/27/61/644482761.db2.gz YPXJQZWFLUFRAA-KWCYVHTRSA-N 2 0 231.343 1.684 20 0 BDADRP OC[C@@H]1CCCCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000923529894 644482883 /nfs/dbraw/zinc/48/28/83/644482883.db2.gz CXONMMFRUKWVRR-KBPBESRZSA-N 2 0 240.391 1.613 20 0 BDADRP [NH3+]CCOCC[N@@H+]1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000923526944 644485422 /nfs/dbraw/zinc/48/54/22/644485422.db2.gz WGNGJBMYJZWWLN-ZIAGYGMSSA-N 2 0 238.375 1.472 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923531677 644489146 /nfs/dbraw/zinc/48/91/46/644489146.db2.gz VMTHEZIGJWALNB-HZSPNIEDSA-N 2 0 237.391 1.060 20 0 BDADRP C[N@H+](CCC1CC[NH2+]CC1)Cc1cccc(=O)[nH]1 ZINC000923552926 644494029 /nfs/dbraw/zinc/49/40/29/644494029.db2.gz FTUPCNNBXGNGEI-UHFFFAOYSA-N 2 0 249.358 1.609 20 0 BDADRP NC(=O)c1cccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089148191 644536304 /nfs/dbraw/zinc/53/63/04/644536304.db2.gz SUARHMJXPZSGCR-OLZOCXBDSA-N 2 0 247.342 1.003 20 0 BDADRP Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000089149227 644536418 /nfs/dbraw/zinc/53/64/18/644536418.db2.gz NXNMEUCUOLVXPH-RTXFEEFZSA-N 2 0 248.374 1.515 20 0 BDADRP C[NH+](C)[C@@H]1CCCN(c2cc[nH+]c(CO)c2)C1 ZINC000091391634 644624351 /nfs/dbraw/zinc/62/43/51/644624351.db2.gz BUOGDNYPNDFSHH-CYBMUJFWSA-N 2 0 235.331 1.104 20 0 BDADRP CN(C[C@H]1CCC[N@@H+]1C)c1cc[nH+]c(CO)c1 ZINC000092633794 644665047 /nfs/dbraw/zinc/66/50/47/644665047.db2.gz WJTPHXOOUKSGQZ-CYBMUJFWSA-N 2 0 235.331 1.104 20 0 BDADRP C[C@H]([NH3+])CCC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248880299 644704920 /nfs/dbraw/zinc/70/49/20/644704920.db2.gz SEKVQVWPQIWMOD-SRVKXCTJSA-N 2 0 241.379 1.055 20 0 BDADRP C[N@H+](CC[C@H]1CC[NH2+]C1)C[C@H]1CCCCO1 ZINC000250006888 644745220 /nfs/dbraw/zinc/74/52/20/644745220.db2.gz TXHHLNRACUGQBC-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@H](CO)[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000250987492 644788386 /nfs/dbraw/zinc/78/83/86/644788386.db2.gz KUICJFAACWYWHP-YVECIDJPSA-N 2 0 226.364 1.268 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@H]2CCCOC2)CC[C@@H]1[NH3+] ZINC000251523921 644807225 /nfs/dbraw/zinc/80/72/25/644807225.db2.gz ABSJXLIEXNCAMA-UPJWGTAASA-N 2 0 226.364 1.472 20 0 BDADRP CN1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000796749576 644812797 /nfs/dbraw/zinc/81/27/97/644812797.db2.gz YSEKCVPOPPREMU-IGQOVBAYSA-N 2 0 237.391 1.153 20 0 BDADRP CO[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000252176928 644841107 /nfs/dbraw/zinc/84/11/07/644841107.db2.gz SEUZZLJLQQEQCD-MROQNXINSA-N 2 0 226.364 1.626 20 0 BDADRP Cc1n[nH]c(C)c1C[NH2+]CCCCCC[NH3+] ZINC000843129037 645266443 /nfs/dbraw/zinc/26/64/43/645266443.db2.gz PLUSPJXHNMKLAA-UHFFFAOYSA-N 2 0 224.352 1.635 20 0 BDADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)(C)CO ZINC000926542239 645266933 /nfs/dbraw/zinc/26/69/33/645266933.db2.gz QRUTWAHLUXYWSP-WODVXLOZSA-N 2 0 240.391 1.608 20 0 BDADRP C[C@H]1CC2(C[N@@H+]1C[C@@H]1CCC[NH2+]1)CCOCC2 ZINC000843129588 645267175 /nfs/dbraw/zinc/26/71/75/645267175.db2.gz WURDGWOKZNGHJN-STQMWFEESA-N 2 0 238.375 1.629 20 0 BDADRP C[C@H]1[C@H](C)OC[C@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000926566881 645288164 /nfs/dbraw/zinc/28/81/64/645288164.db2.gz GGYMALMQRRVNEN-COPLHBTASA-N 2 0 245.326 1.847 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)NCCCCCC[NH3+] ZINC000843506355 645292932 /nfs/dbraw/zinc/29/29/32/645292932.db2.gz SWRCUMQWBCLFTM-LBPRGKRZSA-N 2 0 229.368 1.139 20 0 BDADRP [NH3+]CCCCCCNC(=O)C1([NH3+])CCCCC1 ZINC000843506602 645293235 /nfs/dbraw/zinc/29/32/35/645293235.db2.gz XLFQFBBJIKOHDD-UHFFFAOYSA-N 2 0 241.379 1.283 20 0 BDADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1COC[C@H]1C ZINC000926644647 645331499 /nfs/dbraw/zinc/33/14/99/645331499.db2.gz IAIJHHBJMKQQJP-CHWSQXEVSA-N 2 0 228.380 1.589 20 0 BDADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ncc[nH]1 ZINC000844922012 645348884 /nfs/dbraw/zinc/34/88/84/645348884.db2.gz YXJDDOYHKMPQIC-SECBINFHSA-N 2 0 208.309 1.189 20 0 BDADRP [NH3+]CC1(CC[NH2+][C@@H]2CCC23CCOCC3)CC1 ZINC000844921985 645348941 /nfs/dbraw/zinc/34/89/41/645348941.db2.gz YLQJVROMGGSABH-GFCCVEGCSA-N 2 0 238.375 1.664 20 0 BDADRP CN1CC[C@@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925487282 645463706 /nfs/dbraw/zinc/46/37/06/645463706.db2.gz MQDOYUCVQSQIAN-CABCVRRESA-N 2 0 247.386 1.760 20 0 BDADRP CCO[C@H](C[NH2+][C@H]1COC(C)(C)C1)CN(C)C ZINC000926959585 645501882 /nfs/dbraw/zinc/50/18/82/645501882.db2.gz JUCSJFDQBSMSCE-VXGBXAGGSA-N 2 0 244.379 1.110 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000927025364 645526440 /nfs/dbraw/zinc/52/64/40/645526440.db2.gz HLVBAMDFTROEQL-HZSPNIEDSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C[C@H]1CCC[NH+]1C ZINC000930162171 645533515 /nfs/dbraw/zinc/53/35/15/645533515.db2.gz NGTRDOBUJWEZMB-YNEHKIRRSA-N 2 0 225.380 1.105 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](CO)C2)[C@H]2CCC[C@H]21 ZINC000927145790 645568981 /nfs/dbraw/zinc/56/89/81/645568981.db2.gz BSZCCDXLUBVNHK-XGFWRYKXSA-N 2 0 238.375 1.220 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](CO)C2)[C@@H](C)C1 ZINC000927149974 645572642 /nfs/dbraw/zinc/57/26/42/645572642.db2.gz HIPINKUMHUPDSN-ZDEQEGDKSA-N 2 0 226.364 1.077 20 0 BDADRP CC(C)C[C@H](O)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858117097 645670726 /nfs/dbraw/zinc/67/07/26/645670726.db2.gz ZQIIBKQOZWFFHN-STQMWFEESA-N 2 0 242.407 1.856 20 0 BDADRP CC[N@@H+]1CCC[C@@H](N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925494003 645727168 /nfs/dbraw/zinc/72/71/68/645727168.db2.gz NHLUXYQMENSXIO-CHWSQXEVSA-N 2 0 237.391 1.345 20 0 BDADRP C[NH+](C)CCC[NH2+][C@H]1CCCC[C@@H]1CCCO ZINC000924540960 646062296 /nfs/dbraw/zinc/06/22/96/646062296.db2.gz RQTJDHFAFNFKHI-KGLIPLIRSA-N 2 0 242.407 1.859 20 0 BDADRP COCC[N@H+](C)CCC[NH2+]C1CC(SC)C1 ZINC000924652498 646086197 /nfs/dbraw/zinc/08/61/97/646086197.db2.gz AIJBLXYPWMWMRV-UHFFFAOYSA-N 2 0 246.420 1.438 20 0 BDADRP CCC[NH+](C)[C@H](C)CNC(=O)C[N@@H+](C)CCC ZINC000929412083 646111406 /nfs/dbraw/zinc/11/14/06/646111406.db2.gz MACNGWAFBXKFKH-GFCCVEGCSA-N 2 0 243.395 1.175 20 0 BDADRP CC(C)[C@H]1COCC[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000924854931 646119712 /nfs/dbraw/zinc/11/97/12/646119712.db2.gz OGICFSRLOXHNFT-KGLIPLIRSA-N 2 0 242.407 1.979 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@H]2CN3C[C@@H]2CCC3)CC1 ZINC000924964639 646143741 /nfs/dbraw/zinc/14/37/41/646143741.db2.gz RXHZAAVNGPQVOI-KBPBESRZSA-N 2 0 237.391 1.012 20 0 BDADRP C[C@@H](CCO)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000929621950 646205675 /nfs/dbraw/zinc/20/56/75/646205675.db2.gz MKVRYSABYFNMQH-NSHDSACASA-N 2 0 214.353 1.031 20 0 BDADRP CCCC[N@H+](C)CCN[C@H]1CC[NH2+]C12CCC2 ZINC000925476911 646292333 /nfs/dbraw/zinc/29/23/33/646292333.db2.gz AYPBVJQYAUEZNH-ZDUSSCGKSA-N 2 0 239.407 1.593 20 0 BDADRP CCCC[N@H+](C)CCN[C@@H]1CC[NH2+]C12CCC2 ZINC000925476910 646292776 /nfs/dbraw/zinc/29/27/76/646292776.db2.gz AYPBVJQYAUEZNH-CYBMUJFWSA-N 2 0 239.407 1.593 20 0 BDADRP CC1(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)COC1 ZINC000925480879 646292820 /nfs/dbraw/zinc/29/28/20/646292820.db2.gz HMBDPRILYPPNFD-WOPDTQHZSA-N 2 0 238.375 1.389 20 0 BDADRP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCCO2)C[C@@H]([NH3+])C1 ZINC000925506280 646294756 /nfs/dbraw/zinc/29/47/56/646294756.db2.gz YPEBMWJGZCCREE-WOPDTQHZSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@H](CN[C@@H](c1ccccc1)[C@H](C)[NH3+])[NH+](C)C ZINC000925495723 646301367 /nfs/dbraw/zinc/30/13/67/646301367.db2.gz NMJDGIFVMAJDAG-MBNYWOFBSA-N 2 0 235.375 1.615 20 0 BDADRP C[C@H](O)CC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925498473 646301716 /nfs/dbraw/zinc/30/17/16/646301716.db2.gz GLKFBZKAUZMMLR-GARJFASQSA-N 2 0 214.353 1.253 20 0 BDADRP C[C@H](O)CC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925498471 646301968 /nfs/dbraw/zinc/30/19/68/646301968.db2.gz GLKFBZKAUZMMLR-AXFHLTTASA-N 2 0 214.353 1.253 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccco1 ZINC000925505568 646305539 /nfs/dbraw/zinc/30/55/39/646305539.db2.gz UTPMTTMXHHGZJJ-UYVFGJEYSA-N 2 0 220.316 1.885 20 0 BDADRP CN1CCC([NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925511554 646309910 /nfs/dbraw/zinc/30/99/10/646309910.db2.gz OYQGIPDXOOMKNM-WCQYABFASA-N 2 0 239.407 1.576 20 0 BDADRP C[NH+](C)C1(CN[C@@H]2CC[NH2+]C2(C)C)CCCC1 ZINC000925520868 646312247 /nfs/dbraw/zinc/31/22/47/646312247.db2.gz TUGMGYNEPZEKLT-GFCCVEGCSA-N 2 0 239.407 1.591 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925517332 646312157 /nfs/dbraw/zinc/31/21/57/646312157.db2.gz ADIYWFAWKURPPE-GFCCVEGCSA-N 3 0 225.380 1.202 20 0 BDADRP CCC1(C[NH2+][C@@H]2CC[NH2+]C2(C)C)CCOCC1 ZINC000925527380 646317259 /nfs/dbraw/zinc/31/72/59/646317259.db2.gz NITWXDLKISFRKP-GFCCVEGCSA-N 2 0 240.391 1.923 20 0 BDADRP [NH3+]CCC[C@@H]([NH2+]CC1(CO)CC1)c1ccccc1 ZINC000925527878 646317669 /nfs/dbraw/zinc/31/76/69/646317669.db2.gz AJKROTNFTKJBNB-CQSZACIVSA-N 2 0 248.370 1.829 20 0 BDADRP C(C[NH+]1CCCCC1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000925531805 646318917 /nfs/dbraw/zinc/31/89/17/646318917.db2.gz AJORPXMVGWESJK-CYBMUJFWSA-N 2 0 237.391 1.347 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000925536536 646321323 /nfs/dbraw/zinc/32/13/23/646321323.db2.gz FSSXDOLPTYGABM-AAEUAGOBSA-N 2 0 237.391 1.201 20 0 BDADRP CCOCC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925559795 646333877 /nfs/dbraw/zinc/33/38/77/646333877.db2.gz CPUSWAYLDKRMJA-WDEREUQCSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@@H](O)CC(C)(C)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925571769 646340358 /nfs/dbraw/zinc/34/03/58/646340358.db2.gz ITRGDXXHDYXDAR-NEPJUHHUSA-N 2 0 240.391 1.658 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CN[C@H]1CCC[NH2+][C@H]1C ZINC000925573491 646342055 /nfs/dbraw/zinc/34/20/55/646342055.db2.gz OAQOMDMSKPFQCX-MJBXVCDLSA-N 2 0 239.407 1.591 20 0 BDADRP CC[C@@H](C)[N@H+](C)CCN[C@H]1CC[NH2+]C1(C)C ZINC000925574748 646342268 /nfs/dbraw/zinc/34/22/68/646342268.db2.gz DFAFBZDLSOGOKI-NEPJUHHUSA-N 2 0 227.396 1.447 20 0 BDADRP CC(C)C[C@H](O)C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925582347 646346251 /nfs/dbraw/zinc/34/62/51/646346251.db2.gz XUACDGSMRMXUEE-AVGNSLFASA-N 2 0 242.407 1.889 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925597051 646350596 /nfs/dbraw/zinc/35/05/96/646350596.db2.gz ZXFCVDASATWSRD-BJDJZHNGSA-N 2 0 226.364 1.659 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925609221 646358521 /nfs/dbraw/zinc/35/85/21/646358521.db2.gz QRGGMOWFICLVLB-UHXUPSOCSA-N 2 0 240.391 1.514 20 0 BDADRP C[C@H](CCO)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925611396 646360511 /nfs/dbraw/zinc/36/05/11/646360511.db2.gz MJOAWWOOTRNXER-OUAUKWLOSA-N 2 0 214.353 1.253 20 0 BDADRP C[C@@H]1CCC[N@@H+]1CCN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925623131 646370503 /nfs/dbraw/zinc/37/05/03/646370503.db2.gz OYOQWMIQXUICDC-JHJVBQTASA-N 2 0 237.391 1.330 20 0 BDADRP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)[C@H]1CCCO1 ZINC000925626286 646371278 /nfs/dbraw/zinc/37/12/78/646371278.db2.gz PJBJDEDSXMOKRK-QNWHQSFQSA-N 2 0 238.375 1.804 20 0 BDADRP CC[C@@H](CO)[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925643672 646384344 /nfs/dbraw/zinc/38/43/44/646384344.db2.gz GYVZRAMNGYGLDT-MJBXVCDLSA-N 2 0 240.391 1.515 20 0 BDADRP OCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925644548 646385202 /nfs/dbraw/zinc/38/52/02/646385202.db2.gz NELWLBQSPXEDCP-YNEHKIRRSA-N 2 0 238.375 1.412 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+][C@H]2CCCC[C@@H]2O)C1 ZINC000925646304 646386840 /nfs/dbraw/zinc/38/68/40/646386840.db2.gz SJHZHQJSRXHLQZ-RNJOBUHISA-N 2 0 240.391 1.786 20 0 BDADRP C[NH+](C)C1(CN[C@H]2CC[NH2+]C23CCC3)CCC1 ZINC000925645811 646388003 /nfs/dbraw/zinc/38/80/03/646388003.db2.gz TWOCCKOKLDAQGR-LBPRGKRZSA-N 2 0 237.391 1.345 20 0 BDADRP O[C@@H]1CC[C@@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000925648563 646389825 /nfs/dbraw/zinc/38/98/25/646389825.db2.gz CJINERYQAVOTLH-UTUOFQBUSA-N 2 0 224.348 1.022 20 0 BDADRP CC(C)[N@@H+](C)C[C@H](C)N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925669108 646399833 /nfs/dbraw/zinc/39/98/33/646399833.db2.gz OZRSJGHLGWTCGT-AVGNSLFASA-N 2 0 239.407 1.575 20 0 BDADRP C[C@@H]1COCC[C@@H]1C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925670121 646400290 /nfs/dbraw/zinc/40/02/90/646400290.db2.gz IDPJKLRRSUEQQW-LPWJVIDDSA-N 2 0 238.375 1.519 20 0 BDADRP CC1(C)C[C@@H]([NH2+]CC2=CCCOC2)C[C@@H]([NH3+])C1 ZINC000925672411 646402011 /nfs/dbraw/zinc/40/20/11/646402011.db2.gz INTOYXBSFSAWHB-OLZOCXBDSA-N 2 0 238.375 1.829 20 0 BDADRP C[NH2+]CCCN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925690365 646411884 /nfs/dbraw/zinc/41/18/84/646411884.db2.gz JEOVMVQTQLFPCR-WDEREUQCSA-N 2 0 213.369 1.092 20 0 BDADRP C(C[NH2+][C@@H]1CC[NH2+]C12CCC2)C[C@@H]1CCOC1 ZINC000925687224 646412808 /nfs/dbraw/zinc/41/28/08/646412808.db2.gz GLIYOLTXSURJQB-CHWSQXEVSA-N 2 0 238.375 1.677 20 0 BDADRP C[NH2+]CCCN[C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925689205 646414746 /nfs/dbraw/zinc/41/47/46/646414746.db2.gz HLBYFIXGMJZPCV-AAEUAGOBSA-N 2 0 221.348 1.274 20 0 BDADRP CC[NH2+]CCN[C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925689488 646415956 /nfs/dbraw/zinc/41/59/56/646415956.db2.gz ANJREJPSXROJNT-WCQYABFASA-N 2 0 221.348 1.274 20 0 BDADRP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)[C@@H](O)C(C)C ZINC000925691529 646416794 /nfs/dbraw/zinc/41/67/94/646416794.db2.gz OGTKCHRUSRYMLS-RVMXOQNASA-N 2 0 240.391 1.641 20 0 BDADRP CC(C)[NH2+]CCCN[C@@H]1CC[NH2+]C1(C)C ZINC000925690107 646416901 /nfs/dbraw/zinc/41/69/01/646416901.db2.gz FALZPHNDULMIGL-LLVKDONJSA-N 2 0 213.369 1.105 20 0 BDADRP C[C@@H](N)[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccccc1 ZINC000925689532 646417008 /nfs/dbraw/zinc/41/70/08/646417008.db2.gz BLRBEMNOGAAKLZ-GALLPEHLSA-N 2 0 247.386 1.934 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H](NC[C@@H]2CCCC[NH2+]2)C1 ZINC000925692539 646418208 /nfs/dbraw/zinc/41/82/08/646418208.db2.gz MIGRCXQANPQBIP-FRRDWIJNSA-N 2 0 239.407 1.624 20 0 BDADRP CC[NH2+]CCN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925694731 646419856 /nfs/dbraw/zinc/41/98/56/646419856.db2.gz SMDUXPLPQPMGIV-ZIAGYGMSSA-N 2 0 239.407 1.354 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCC2(CO)CC2)C1 ZINC000925696483 646421601 /nfs/dbraw/zinc/42/16/01/646421601.db2.gz XMKYBFOTIHHPLP-NWDGAFQWSA-N 2 0 240.391 1.645 20 0 BDADRP CC(C)C[C@H](C[NH3+])N[C@@H]1CC[NH2+]C12CCC2 ZINC000925696258 646422297 /nfs/dbraw/zinc/42/22/97/646422297.db2.gz YNQKPVZAVDCXRL-VXGBXAGGSA-N 2 0 225.380 1.234 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925697881 646423280 /nfs/dbraw/zinc/42/32/80/646423280.db2.gz BGNFAKGVNMIDSZ-AGIUHOORSA-N 3 0 241.423 2.000 20 0 BDADRP CC1(C)C[C@@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C[C@@H]([NH3+])C1 ZINC000925697813 646423849 /nfs/dbraw/zinc/42/38/49/646423849.db2.gz AOOUMCQPHXSZGO-LPWJVIDDSA-N 2 0 239.407 1.752 20 0 BDADRP C[C@H](C[NH3+])CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925697685 646423972 /nfs/dbraw/zinc/42/39/72/646423972.db2.gz HJOHUINQKBAGQL-KWCYVHTRSA-N 3 0 239.407 1.339 20 0 BDADRP C[C@@H](C[NH3+])N[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925701290 646425213 /nfs/dbraw/zinc/42/52/13/646425213.db2.gz WZMHMTMOULVQSJ-CYZMBNFOSA-N 2 0 225.380 1.092 20 0 BDADRP Cc1ccncc1CCN[C@H]1CC[NH2+]C12CCC2 ZINC000925704393 646429608 /nfs/dbraw/zinc/42/96/08/646429608.db2.gz GSLGORJDFDUCQX-AWEZNQCLSA-N 2 0 245.370 1.807 20 0 BDADRP C1=C(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)CC[NH2+]C1 ZINC000925706180 646430964 /nfs/dbraw/zinc/43/09/64/646430964.db2.gz MKMICUMWYNUBQM-CYBMUJFWSA-N 3 0 235.375 1.170 20 0 BDADRP CC[C@H](C)CC[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2 ZINC000925708839 646432781 /nfs/dbraw/zinc/43/27/81/646432781.db2.gz SKCXHIUFYISEDK-HPCHECBXSA-N 2 0 240.391 1.765 20 0 BDADRP [NH3+]C[C@H](N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C1CCCC1 ZINC000925707592 646432787 /nfs/dbraw/zinc/43/27/87/646432787.db2.gz LTLFDKINMYYQGJ-GXYBRJDSSA-N 2 0 249.402 1.090 20 0 BDADRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ncc[nH]1 ZINC000925711819 646437144 /nfs/dbraw/zinc/43/71/44/646437144.db2.gz SHXQHORKBVTBDF-MNOVXSKESA-N 2 0 222.336 1.593 20 0 BDADRP CC[C@H]([NH3+])CN[C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925713695 646438531 /nfs/dbraw/zinc/43/85/31/646438531.db2.gz XXXRXPDWDJJXLF-WCFLWFBJSA-N 2 0 221.348 1.402 20 0 BDADRP C[N@@H+]1CCC[C@H]1CN[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925716630 646440769 /nfs/dbraw/zinc/44/07/69/646440769.db2.gz BHGURRQVCOASRR-AVGNSLFASA-N 2 0 239.407 1.576 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925715991 646441165 /nfs/dbraw/zinc/44/11/65/646441165.db2.gz NBOLCMUPSVNXQS-UTUOFQBUSA-N 2 0 225.380 1.219 20 0 BDADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925724931 646450278 /nfs/dbraw/zinc/45/02/78/646450278.db2.gz FUVCYXKFYAEVIC-CYDGBPFRSA-N 3 0 237.391 1.363 20 0 BDADRP CC(C)(F)C[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2 ZINC000925724781 646450332 /nfs/dbraw/zinc/45/03/32/646450332.db2.gz MVDGECOHTKBRIF-CKIJPRSSSA-N 2 0 230.327 1.076 20 0 BDADRP CC1(C)[C@@H]([NH2+]CC2CC([NH3+])C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925730110 646454073 /nfs/dbraw/zinc/45/40/73/646454073.db2.gz NEXJEFOPYPHRQE-JCXRDGCHSA-N 3 0 237.391 1.090 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]C[C@H]2C[C@H](O)C2)C1 ZINC000925730136 646454222 /nfs/dbraw/zinc/45/42/22/646454222.db2.gz NQSPMOWKJHMOLR-BJDJZHNGSA-N 2 0 226.364 1.253 20 0 BDADRP COCC(C)(C)CC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925733030 646456189 /nfs/dbraw/zinc/45/61/89/646456189.db2.gz ZYYWNGUMVWOCMK-NSHDSACASA-N 2 0 228.380 1.779 20 0 BDADRP CC(C)([NH3+])CC[NH2+][C@@H]1CCC12CCOCC2 ZINC000925738673 646460100 /nfs/dbraw/zinc/46/01/00/646460100.db2.gz SESMHAADLWEOLG-LLVKDONJSA-N 2 0 226.364 1.663 20 0 BDADRP C[C@@H]([NH2+]CCC(C)(C)[NH3+])c1cncc(F)c1 ZINC000925742734 646464652 /nfs/dbraw/zinc/46/46/52/646464652.db2.gz XMSQXBHEBFACKT-SECBINFHSA-N 2 0 225.311 1.999 20 0 BDADRP CCC1([NH3+])CCN([C@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000925760404 646465023 /nfs/dbraw/zinc/46/50/23/646465023.db2.gz MJWDEHFEZYHINM-STQMWFEESA-N 2 0 239.407 1.578 20 0 BDADRP CCC1([NH3+])CCN([C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000925760661 646466074 /nfs/dbraw/zinc/46/60/74/646466074.db2.gz OAXGRHYDWIVNFS-CHWSQXEVSA-N 2 0 239.407 1.850 20 0 BDADRP CCC1([NH3+])CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000925759947 646466972 /nfs/dbraw/zinc/46/69/72/646466972.db2.gz JEDJWVZZQHVNPA-FUNVUKJBSA-N 2 0 237.391 1.473 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CC2(CCC2)CO1)C1C[NH2+]C1 ZINC000925772740 646473568 /nfs/dbraw/zinc/47/35/68/646473568.db2.gz JOTHSMFAQAFQSI-ZYHUDNBSSA-N 2 0 224.348 1.143 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C1CCC(C)(O)CC1 ZINC000925781782 646477947 /nfs/dbraw/zinc/47/79/47/646477947.db2.gz YOIBGTWIDXIACE-DMOGRIERSA-N 2 0 214.353 1.395 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000925786859 646482930 /nfs/dbraw/zinc/48/29/30/646482930.db2.gz WEOXQJSRRAMEKO-MGAJPHDKSA-N 2 0 208.349 1.620 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000925787457 646483053 /nfs/dbraw/zinc/48/30/53/646483053.db2.gz SVWJLVMGCAHNJS-MROQNXINSA-N 2 0 225.380 1.092 20 0 BDADRP COCCC[C@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925792920 646485462 /nfs/dbraw/zinc/48/54/62/646485462.db2.gz WZADMDUGAGBDTC-WOPDTQHZSA-N 2 0 214.353 1.247 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccncc1 ZINC000925792181 646485616 /nfs/dbraw/zinc/48/56/16/646485616.db2.gz VBPGQMSITSUUPW-WZRBSPASSA-N 2 0 219.332 1.588 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccncc1 ZINC000925795681 646487569 /nfs/dbraw/zinc/48/75/69/646487569.db2.gz HYTJTSOXCXABLS-MBNYWOFBSA-N 2 0 233.359 1.978 20 0 BDADRP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)C1CCCC1 ZINC000925809432 646489598 /nfs/dbraw/zinc/48/95/98/646489598.db2.gz IBYBYQSWTPLDKC-LBPRGKRZSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)NCc1cc(N(C)C)cc[nH+]1 ZINC000925813484 646491092 /nfs/dbraw/zinc/49/10/92/646491092.db2.gz TZNNRAVCJGHRKF-GHMZBOCLSA-N 2 0 236.363 1.363 20 0 BDADRP CC[C@H]([NH2+]CCN1CCC([NH3+])CC1)C(C)C ZINC000925812823 646491207 /nfs/dbraw/zinc/49/12/07/646491207.db2.gz ZQROKONDJIOEOF-ZDUSSCGKSA-N 2 0 227.396 1.434 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@H]1[C@@H]1C[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000925823496 646497355 /nfs/dbraw/zinc/49/73/55/646497355.db2.gz OBKKQNFMHFRIFB-QRNINRFLSA-N 2 0 208.349 1.619 20 0 BDADRP C[NH+](C)CC[C@@H](N[C@@H]1CC[NH2+]C1)c1cccnc1 ZINC000925826546 646497905 /nfs/dbraw/zinc/49/79/05/646497905.db2.gz HRRUGTMATWNWTG-ZIAGYGMSSA-N 2 0 248.374 1.026 20 0 BDADRP CC[C@@H](C)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925850706 646509698 /nfs/dbraw/zinc/50/96/98/646509698.db2.gz VZHCZLVVWVTEIK-CYBMUJFWSA-N 2 0 227.396 1.450 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000925856601 646510649 /nfs/dbraw/zinc/51/06/49/646510649.db2.gz JYNCOYQCSDMFRG-XQQFMLRXSA-N 2 0 228.380 1.787 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000925853800 646510886 /nfs/dbraw/zinc/51/08/86/646510886.db2.gz BREBCEJNXPGXNR-DCAQKATOSA-N 2 0 202.342 1.253 20 0 BDADRP COC[C@@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]1)C(C)C ZINC000925874154 646523689 /nfs/dbraw/zinc/52/36/89/646523689.db2.gz OUHCTNFYGZGFIB-JHJVBQTASA-N 2 0 228.380 1.635 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000925876640 646527767 /nfs/dbraw/zinc/52/77/67/646527767.db2.gz CYTBAKPTNLCXEQ-OLZOCXBDSA-N 3 0 239.407 1.578 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000925879437 646529271 /nfs/dbraw/zinc/52/92/71/646529271.db2.gz DQRJBHLWWIPZSG-DRABBMOASA-N 3 0 245.370 1.848 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)[C@@H](C)O1 ZINC000925879286 646529744 /nfs/dbraw/zinc/52/97/44/646529744.db2.gz AIAOPWVCHKBWCE-JCIQBVFBSA-N 2 0 212.337 1.269 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CCCc3n[nH]cc32)C1 ZINC000925881210 646530485 /nfs/dbraw/zinc/53/04/85/646530485.db2.gz ZHFKDZQTKKILPF-HOSYDEDBSA-N 2 0 234.347 1.504 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCOC1CCC1 ZINC000925893221 646534436 /nfs/dbraw/zinc/53/44/36/646534436.db2.gz APQIYEVVNMUVDK-ONXXMXGDSA-N 2 0 238.375 1.485 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC(C)(C)O ZINC000926211732 646590988 /nfs/dbraw/zinc/59/09/88/646590988.db2.gz FZHQQXBRWREJJN-FOSCPWQOSA-N 2 0 226.364 1.077 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCSC1 ZINC000926323562 646615837 /nfs/dbraw/zinc/61/58/37/646615837.db2.gz JOUVYWDZSKWCSP-FKJOKYEKSA-N 2 0 240.416 1.669 20 0 BDADRP CC(C)CC[NH+]1CCC([NH2+][C@@H](C)[C@H](C)O)CC1 ZINC000926422054 646634295 /nfs/dbraw/zinc/63/42/95/646634295.db2.gz UQOUMDCKBVAYLQ-STQMWFEESA-N 2 0 242.407 1.856 20 0 BDADRP C[C@@H]1COC[C@@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000926488000 646659520 /nfs/dbraw/zinc/65/95/20/646659520.db2.gz QZPUOHIRFAKGIS-KGLIPLIRSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC000717283716 711594537 /nfs/dbraw/zinc/59/45/37/711594537.db2.gz FGRLXKCXPAIDBZ-RYUDHWBXSA-N 2 0 228.380 1.909 20 0 BDADRP COC/C(C)=C\C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000930555337 711696945 /nfs/dbraw/zinc/69/69/45/711696945.db2.gz MFTOZBUEUAYOLV-YLIUPVCFSA-N 2 0 238.375 1.607 20 0 BDADRP CCO[C@H]1CC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000701713088 711862412 /nfs/dbraw/zinc/86/24/12/711862412.db2.gz CFPXIVCRPJJGNG-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC[C@H]2CCSC2)C1 ZINC000704811994 711892233 /nfs/dbraw/zinc/89/22/33/711892233.db2.gz KCYSIPQZZXJOAP-TUAOUCFPSA-N 2 0 228.405 1.989 20 0 BDADRP COC[C@H](C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1)C(C)C ZINC000721911480 711917524 /nfs/dbraw/zinc/91/75/24/711917524.db2.gz JNJLPEZPBFLJIM-AGIUHOORSA-N 2 0 228.380 1.574 20 0 BDADRP COC[C@H](C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1)C(C)C ZINC000721913910 711918478 /nfs/dbraw/zinc/91/84/78/711918478.db2.gz QQKQFULMHPWAHT-MCIONIFRSA-N 2 0 242.407 1.964 20 0 BDADRP C[C@@H]1C[NH+](C[C@@H]2CCCC[NH2+]C2)C[C@H]1C ZINC000700256376 711989223 /nfs/dbraw/zinc/98/92/23/711989223.db2.gz GVASDLGAKDOHGE-JHJVBQTASA-N 2 0 210.365 1.964 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cscn1 ZINC000700522153 711996396 /nfs/dbraw/zinc/99/63/96/711996396.db2.gz GJSRVJRXWXKSLD-AEJSXWLSSA-N 2 0 225.361 1.921 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CCC2CC(O)C2)C12CCC2 ZINC000702450207 712053776 /nfs/dbraw/zinc/05/37/76/712053776.db2.gz LLCWNXUHFCGIFW-HCWSGVFWSA-N 2 0 224.348 1.007 20 0 BDADRP CC1(O)CCC([NH2+][C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000703602931 712081883 /nfs/dbraw/zinc/08/18/83/712081883.db2.gz MSSUJIPRKNXHKK-GMKTYKIGSA-N 2 0 226.364 1.397 20 0 BDADRP COC1CCC([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000703803532 712088594 /nfs/dbraw/zinc/08/85/94/712088594.db2.gz TXSHPBHBVSMWQV-IFWUJCSASA-N 2 0 238.375 1.804 20 0 BDADRP C[C@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000703805562 712089082 /nfs/dbraw/zinc/08/90/82/712089082.db2.gz KVCZRISKPQVIQY-WODVXLOZSA-N 2 0 208.349 1.859 20 0 BDADRP C[C@@H]([NH3+])C[N@H+](C)C[C@@H]1CC(C)(C)OC1(C)C ZINC000709695308 712216364 /nfs/dbraw/zinc/21/63/64/712216364.db2.gz DRPMNHPJKOARAT-MNOVXSKESA-N 2 0 228.380 1.859 20 0 BDADRP CCCNC(=O)[C@@H](C)[N@H+](C)CCCCCC[NH3+] ZINC000710756978 712256171 /nfs/dbraw/zinc/25/61/71/712256171.db2.gz AQTMUBWYQSYQHC-GFCCVEGCSA-N 2 0 243.395 1.352 20 0 BDADRP C(C[N@@H+]1C[C@@H]2CSC[C@@H]2C1)C1CC[NH2+]CC1 ZINC000711531568 712309800 /nfs/dbraw/zinc/30/98/00/712309800.db2.gz AEVNSRHOXCDYJR-BETUJISGSA-N 2 0 240.416 1.671 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711540234 712309907 /nfs/dbraw/zinc/30/99/07/712309907.db2.gz DTUIQWFTFMKTHT-KXNHARMFSA-N 2 0 226.389 1.137 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCOC3CC3)C[C@H]21 ZINC000711759913 712326488 /nfs/dbraw/zinc/32/64/88/712326488.db2.gz RDTWSYXHIUGQJA-RAIGVLPGSA-N 2 0 224.348 1.225 20 0 BDADRP CC1([NH3+])CC[NH+](C[C@@H]2CCC3(CCC3)O2)CC1 ZINC000712511087 712432046 /nfs/dbraw/zinc/43/20/46/712432046.db2.gz PINVAIDBNIHCCJ-LBPRGKRZSA-N 2 0 238.375 1.901 20 0 BDADRP C[NH+](C)C1(C)CCC([NH2+]CC2(O)CCC2)CC1 ZINC000715536113 712526894 /nfs/dbraw/zinc/52/68/94/712526894.db2.gz FBKVLRIOVPSZKF-UHFFFAOYSA-N 2 0 240.391 1.754 20 0 BDADRP CC(C)(C)C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000717293170 712645386 /nfs/dbraw/zinc/64/53/86/712645386.db2.gz VLPLOEUPFMPVIX-VIFPVBQESA-N 2 0 220.307 1.867 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)CCO1 ZINC000719784575 712824467 /nfs/dbraw/zinc/82/44/67/712824467.db2.gz YEFMIQMVZKJQRC-NEPJUHHUSA-N 2 0 212.337 1.097 20 0 BDADRP [NH3+]CCC1CC[NH+](CCc2ccns2)CC1 ZINC000719845066 712825544 /nfs/dbraw/zinc/82/55/44/712825544.db2.gz GQYIVNIAUWVURC-UHFFFAOYSA-N 2 0 239.388 1.746 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](CCc2ccns2)C1 ZINC000719849829 712825814 /nfs/dbraw/zinc/82/58/14/712825814.db2.gz ZSJMUNPPKBRWMA-NSHDSACASA-N 2 0 239.388 1.746 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H](CCO)C1CC1 ZINC000381431302 710636188 /nfs/dbraw/zinc/63/61/88/710636188.db2.gz BPEDKULMRUURPF-OLZOCXBDSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[C@H]1C ZINC000381479501 710643457 /nfs/dbraw/zinc/64/34/57/710643457.db2.gz SDKVPGXRMXKYCC-JHJVBQTASA-N 2 0 225.380 1.010 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2CCC3(C2)CC[NH2+]CC3)C1 ZINC000721909016 710690595 /nfs/dbraw/zinc/69/05/95/710690595.db2.gz WJYYQMGILLORJP-BETUJISGSA-N 2 0 238.375 1.487 20 0 BDADRP COC[C@H](C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1)C(C)C ZINC000721767210 710685606 /nfs/dbraw/zinc/68/56/06/710685606.db2.gz FKGQIYREGLFNSS-RDBSUJKOSA-N 2 0 242.407 1.822 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CC[C@@H](C(C)(C)O)C2)CC1 ZINC000721772818 710685970 /nfs/dbraw/zinc/68/59/70/710685970.db2.gz NNCQXNZHRHLQMJ-CYBMUJFWSA-N 2 0 240.391 1.421 20 0 BDADRP Cc1c[nH]nc1C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723881608 710732903 /nfs/dbraw/zinc/73/29/03/710732903.db2.gz BIIAZCLBUXWEIC-GHMZBOCLSA-N 2 0 222.336 1.135 20 0 BDADRP CC[C@H](CO)[N@H+](C)CCC[NH+]1CCCC1 ZINC000382056250 710769969 /nfs/dbraw/zinc/76/99/69/710769969.db2.gz BOKQLDPGRBMCSZ-GFCCVEGCSA-N 2 0 214.353 1.175 20 0 BDADRP CC[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCS1 ZINC000133072465 710968301 /nfs/dbraw/zinc/96/83/01/710968301.db2.gz DPEXAQLYRZTICS-WOPDTQHZSA-N 2 0 228.405 1.941 20 0 BDADRP CCC1([NH2+]C[C@@H](O)C[NH+]2CCCC2)CCCC1 ZINC000382593790 710973820 /nfs/dbraw/zinc/97/38/20/710973820.db2.gz FNGQMQUJFWPWLS-CYBMUJFWSA-N 2 0 240.391 1.756 20 0 BDADRP COC1(CC[NH2+]CC2CC[NH+](C)CC2)CCC1 ZINC000384066870 710988316 /nfs/dbraw/zinc/98/83/16/710988316.db2.gz UNCQOPOKLIGZMX-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP C[N@H+](CCSC(F)(F)F)C1CC([NH3+])C1 ZINC000384782713 710996745 /nfs/dbraw/zinc/99/67/45/710996745.db2.gz UIFXVSRYWPKMMQ-UHFFFAOYSA-N 2 0 228.283 1.661 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)[NH3+])[C@@H](C)O1 ZINC000384776166 710997059 /nfs/dbraw/zinc/99/70/59/710997059.db2.gz PRDHQRSXJNCZAI-OPRDCNLKSA-N 2 0 200.326 1.269 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCC[C@@H]1OC ZINC000380700232 712902614 /nfs/dbraw/zinc/90/26/14/712902614.db2.gz KTGXJKROVJREHJ-OLZOCXBDSA-N 2 0 228.380 1.875 20 0 BDADRP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H](C)O ZINC000386796073 711037128 /nfs/dbraw/zinc/03/71/28/711037128.db2.gz PFZSUTHMTQJBBA-JVGWCMFKSA-N 2 0 226.364 1.361 20 0 BDADRP C[C@@H]([NH2+]CCC(C)(C)[NH3+])[C@H]1CCCOC1 ZINC000389067436 711071496 /nfs/dbraw/zinc/07/14/96/711071496.db2.gz LPHOXTKSQICXAZ-MNOVXSKESA-N 2 0 214.353 1.519 20 0 BDADRP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)C[NH+](C)C ZINC000389730466 711088392 /nfs/dbraw/zinc/08/83/92/711088392.db2.gz SEWKETZUJIFMSK-GRYCIOLGSA-N 2 0 214.353 1.341 20 0 BDADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCc3cccnc32)CC1 ZINC000392236061 711143289 /nfs/dbraw/zinc/14/32/89/711143289.db2.gz FUWSDIPBSMOEPT-AWEZNQCLSA-N 2 0 243.354 1.920 20 0 BDADRP Cc1nc(CC[NH2+]C[C@H]([NH3+])CC(F)F)cs1 ZINC000390103483 711105607 /nfs/dbraw/zinc/10/56/07/711105607.db2.gz RGEKOIFBOJWPKT-MRVPVSSYSA-N 2 0 249.330 1.566 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CCCC[C@H]1CCO ZINC000395405900 711209585 /nfs/dbraw/zinc/20/95/85/711209585.db2.gz VNXYDNBKFCAAKD-ZDUSSCGKSA-N 2 0 228.380 1.742 20 0 BDADRP CC[N@H+](CCN[C@H]1CCC[NH2+][C@@H]1C)C1CC1 ZINC000396581836 711357112 /nfs/dbraw/zinc/35/71/12/711357112.db2.gz FQTWMVDNJJIFJR-YPMHNXCESA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CCN1CCOC(F)F ZINC000398185533 711404151 /nfs/dbraw/zinc/40/41/51/711404151.db2.gz OMPLBVDEVJZRDC-HTQZYQBOSA-N 2 0 208.252 1.037 20 0 BDADRP C[C@H]1COCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000399302351 711426787 /nfs/dbraw/zinc/42/67/87/711426787.db2.gz JKWQUYJVYYQNOQ-GFCCVEGCSA-N 2 0 226.364 1.344 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+]C1CCC(C)(O)CC1 ZINC000381129546 710603265 /nfs/dbraw/zinc/60/32/65/710603265.db2.gz KIJVODZDELKVHM-PNESKVBLSA-N 2 0 228.380 1.610 20 0 BDADRP COC[C@@H](C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)C(C)C ZINC000721961596 710693605 /nfs/dbraw/zinc/69/36/05/710693605.db2.gz FJALMLZKOAYDCS-ZIAGYGMSSA-N 2 0 240.391 1.590 20 0 BDADRP C[C@H]1[NH2+]CCC[C@H]1NCC[NH+]1CCCCC1 ZINC000396662837 711362370 /nfs/dbraw/zinc/36/23/70/711362370.db2.gz HPNXKUPOVZELRN-CHWSQXEVSA-N 2 0 225.380 1.202 20 0 BDADRP CC(C)[N@H+](C)CCN[C@@H]1CCC[NH2+][C@@H]1C ZINC000396711685 711367237 /nfs/dbraw/zinc/36/72/37/711367237.db2.gz RCFMYWOFEQKQKG-VXGBXAGGSA-N 2 0 213.369 1.057 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1NCC1([NH+](C)C)CCC1 ZINC000396724430 711367287 /nfs/dbraw/zinc/36/72/87/711367287.db2.gz VHCTUYCBXWMNRB-RYUDHWBXSA-N 2 0 225.380 1.201 20 0 BDADRP C[N@H+](CCOCC[NH3+])C[C@H]1CC2CCC1CC2 ZINC000399964086 711437994 /nfs/dbraw/zinc/43/79/94/711437994.db2.gz BYENNLGWFCTTRO-JXQTWKCFSA-N 2 0 240.391 1.720 20 0 BDADRP C[NH+](C)CC1CCN(C[C@H]([NH3+])CC(F)F)CC1 ZINC000383462723 711460007 /nfs/dbraw/zinc/46/00/07/711460007.db2.gz MYZWYEHRYADKQN-LLVKDONJSA-N 2 0 249.349 1.243 20 0 BDADRP CC[C@@H]1C[C@H]1C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000723054191 711497661 /nfs/dbraw/zinc/49/76/61/711497661.db2.gz CLUMBBOBPNBVRR-MROQNXINSA-N 2 0 208.349 1.574 20 0 BDADRP CC[C@H]1CO[C@@H](C)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000891475239 711532194 /nfs/dbraw/zinc/53/21/94/711532194.db2.gz DVJUCDYPCUWVDH-JSGCOSHPSA-N 2 0 240.391 1.828 20 0 BDADRP CC(C)n1nccc1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723679393 711534092 /nfs/dbraw/zinc/53/40/92/711534092.db2.gz BSSQBUWQENQVGA-LBPRGKRZSA-N 2 0 236.363 1.635 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC000723701826 711535541 /nfs/dbraw/zinc/53/55/41/711535541.db2.gz RQCWASRWUXSKQO-TZMCWYRMSA-N 2 0 234.343 1.391 20 0 BDADRP CCCCOC(=O)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723712653 711535719 /nfs/dbraw/zinc/53/57/19/711535719.db2.gz PDBRGPYLBDIGFJ-LLVKDONJSA-N 2 0 228.336 1.000 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@H]2CCSC2)C1 ZINC000723709266 711535828 /nfs/dbraw/zinc/53/58/28/711535828.db2.gz NJDOMGFIGZDQEQ-GHMZBOCLSA-N 2 0 214.378 1.410 20 0 BDADRP Cc1cc(C)nc(CN2CCC[C@H]3C[NH2+]C[C@H]32)c1 ZINC000723877047 711541858 /nfs/dbraw/zinc/54/18/58/711541858.db2.gz QLPXCXFTNDJXLW-DZGCQCFKSA-N 2 0 245.370 1.882 20 0 BDADRP C[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1CC[NH3+] ZINC000723881621 711543511 /nfs/dbraw/zinc/54/35/11/711543511.db2.gz BSOMQALPXNFVMG-AXBRGNRRSA-N 2 0 202.729 1.656 20 0 BDADRP CC(C)CCOCC[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723894190 711544176 /nfs/dbraw/zinc/54/41/76/711544176.db2.gz JDVFJNNOGKAFCA-ZIAGYGMSSA-N 2 0 242.407 1.966 20 0 BDADRP COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cn1 ZINC000723899400 711544824 /nfs/dbraw/zinc/54/48/24/711544824.db2.gz BTXUOAJNESGWTM-DGCLKSJQSA-N 2 0 249.358 1.507 20 0 BDADRP CCOCCC[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723907357 711545187 /nfs/dbraw/zinc/54/51/87/711545187.db2.gz AFEQDKMIYCNYKZ-VXGBXAGGSA-N 2 0 214.353 1.330 20 0 BDADRP Cc1cn(C)nc1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000723966406 711548215 /nfs/dbraw/zinc/54/82/15/711548215.db2.gz YUMQODRUSZHPFK-LLVKDONJSA-N 2 0 236.363 1.288 20 0 BDADRP C[NH+](C)CCC[NH2+][C@H](C1CC1)[C@@H]1CCCOC1 ZINC000723970762 711549729 /nfs/dbraw/zinc/54/97/29/711549729.db2.gz IJVOIZCYMBNVGC-ZIAGYGMSSA-N 2 0 240.391 1.733 20 0 BDADRP CO[C@H]1CC[C@H]1[N@H+](C)CCC[NH2+]C1CC1 ZINC000724177175 711567165 /nfs/dbraw/zinc/56/71/65/711567165.db2.gz BULJQMNRPBEHRN-NEPJUHHUSA-N 2 0 212.337 1.238 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CCC1CC=CC1 ZINC000724203259 711568798 /nfs/dbraw/zinc/56/87/98/711568798.db2.gz QPJSOMCTUZNRBP-CYBMUJFWSA-N 2 0 226.364 1.686 20 0 BDADRP CC(C)[C@@H]([NH3+])c1noc(CCn2ccnc2)n1 ZINC000721363458 711613826 /nfs/dbraw/zinc/61/38/26/711613826.db2.gz BPUCFEZXFFZQHM-SNVBAGLBSA-N 2 0 235.291 1.165 20 0 BDADRP C1[NH2+][C@H]2[C@H]([NH2+][C@@H]3CCCOCC3)[C@H]3C[C@H]1[C@@H]2C3 ZINC000383108716 711672595 /nfs/dbraw/zinc/67/25/95/711672595.db2.gz DSMIHOMHSKCQBL-GMDXDWKASA-N 2 0 236.359 1.142 20 0 BDADRP COC[C@@H](C[N@@H+]1CC2CC1(C[NH3+])C2)C(C)C ZINC000721709127 711707181 /nfs/dbraw/zinc/70/71/81/711707181.db2.gz UXGUXUUENZEUFY-OTTFEQOBSA-N 2 0 226.364 1.328 20 0 BDADRP C[C@H]1NCCC[C@@H]1[NH2+]CCCCCC[NH3+] ZINC000925711352 711711350 /nfs/dbraw/zinc/71/13/50/711711350.db2.gz MUEKDYJCQJPCDP-NEPJUHHUSA-N 2 0 213.369 1.236 20 0 BDADRP CC[C@H]([NH3+])CN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925711844 711711198 /nfs/dbraw/zinc/71/11/98/711711198.db2.gz SQPMYGGTJPAABH-GARJFASQSA-N 2 0 213.369 1.219 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2COCC2(C)C)C1 ZINC000313147693 711713976 /nfs/dbraw/zinc/71/39/76/711713976.db2.gz SVKKGPINQDGLAT-VXGBXAGGSA-N 2 0 226.364 1.343 20 0 BDADRP C(C1CCOCC1)[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000257650797 711722948 /nfs/dbraw/zinc/72/29/48/711722948.db2.gz DIEQSBGPIREFER-ZDUSSCGKSA-N 2 0 224.348 1.241 20 0 BDADRP CCN1CCC[C@H]([NH2+][C@@H](C)CCCC[NH3+])C1=O ZINC000722339689 711740900 /nfs/dbraw/zinc/74/09/00/711740900.db2.gz AABHAOJJRPKDJU-RYUDHWBXSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)CCO1 ZINC000925845615 711760560 /nfs/dbraw/zinc/76/05/60/711760560.db2.gz MQHAEVDYQLPRAI-IGQOVBAYSA-N 2 0 238.375 1.676 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccncc1 ZINC000925875417 711761657 /nfs/dbraw/zinc/76/16/57/711761657.db2.gz GZEABLFPAQLBBZ-WZRBSPASSA-N 2 0 219.332 1.860 20 0 BDADRP c1ccc2c(c1)CCO[C@@H]2CCN[C@H]1CC[NH2+]C1 ZINC000925879582 711761919 /nfs/dbraw/zinc/76/19/19/711761919.db2.gz ABLVSHYPIHZQJM-DZGCQCFKSA-N 2 0 246.354 1.642 20 0 BDADRP CC[N@@H+]1CCC[C@H]1CNc1cc(C)[nH+]c(N)n1 ZINC000038764567 711762238 /nfs/dbraw/zinc/76/22/38/711762238.db2.gz YZAUNOQEFWSPSK-JTQLQIEISA-N 2 0 235.335 1.263 20 0 BDADRP CC(C)[N@H+](C)CCN[C@H]1CCC[NH2+][C@H]1C ZINC000396711684 711798026 /nfs/dbraw/zinc/79/80/26/711798026.db2.gz RCFMYWOFEQKQKG-RYUDHWBXSA-N 2 0 213.369 1.057 20 0 BDADRP COC[C@H](C[N@H+](C)C[C@@H](C)[NH3+])C(C)C ZINC000721962571 711843162 /nfs/dbraw/zinc/84/31/62/711843162.db2.gz HKAUGKIRSKGWAQ-MNOVXSKESA-N 2 0 202.342 1.184 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@H](COC)C(C)C ZINC000721913692 711918270 /nfs/dbraw/zinc/91/82/70/711918270.db2.gz PNDKXAUZESOYRG-OLZOCXBDSA-N 2 0 228.380 1.589 20 0 BDADRP COC[C@@H](C[N@H+](C)C1CC([NH3+])C1)C(C)C ZINC000721921394 711937214 /nfs/dbraw/zinc/93/72/14/711937214.db2.gz RNRACCWYBVBHBP-VOMCLLRMSA-N 2 0 214.353 1.327 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000423445149 711958172 /nfs/dbraw/zinc/95/81/72/711958172.db2.gz XNYWGVQHWJXOJZ-CMPLNLGQSA-N 2 0 236.363 1.894 20 0 BDADRP C([C@H]1CCCC[NH2+]C1)[N@@H+]1CCCOCC1 ZINC000700257778 711989425 /nfs/dbraw/zinc/98/94/25/711989425.db2.gz RBVOUCKZLJNXGM-LBPRGKRZSA-N 2 0 212.337 1.098 20 0 BDADRP C[C@@H](CC[NH2+][C@@H]1CCSC1)[NH+](C)C ZINC000700508761 711995336 /nfs/dbraw/zinc/99/53/36/711995336.db2.gz YLWHJXMYYYZGDK-VHSXEESVSA-N 2 0 202.367 1.422 20 0 BDADRP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000700788969 712004837 /nfs/dbraw/zinc/00/48/37/712004837.db2.gz SKVTVEUBXNAZTB-MELADBBJSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@@H]1COC[C@H]1[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000700809945 712006763 /nfs/dbraw/zinc/00/67/63/712006763.db2.gz WSCBSMWBDHEBSF-MGPQQGTHSA-N 2 0 240.391 1.733 20 0 BDADRP [NH3+]C1CC[NH+](C[C@@H](O)CCc2ccccc2)CC1 ZINC000702271521 712044172 /nfs/dbraw/zinc/04/41/72/712044172.db2.gz QQKAWKYRXJXRAS-HNNXBMFYSA-N 2 0 248.370 1.403 20 0 BDADRP COC1CCC([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000703803531 712088339 /nfs/dbraw/zinc/08/83/39/712088339.db2.gz TXSHPBHBVSMWQV-FIYWTHMPSA-N 2 0 238.375 1.804 20 0 BDADRP CC[C@H]1C[N@H+](CC2CC(OC)C2)CC[C@H]1[NH3+] ZINC000703909246 712093789 /nfs/dbraw/zinc/09/37/89/712093789.db2.gz YLSAMDBBCMMBOZ-PYNQCMFNSA-N 2 0 226.364 1.471 20 0 BDADRP C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C[C@H]1CCC[NH+](C)C1 ZINC000705137187 712122509 /nfs/dbraw/zinc/12/25/09/712122509.db2.gz VKLIOAAUONOGDP-RDBSUJKOSA-N 3 0 239.407 1.387 20 0 BDADRP CSC1CC([NH2+]CCCC[NH+](C)C)C1 ZINC000706775707 712155250 /nfs/dbraw/zinc/15/52/50/712155250.db2.gz LYINLHCDQHHFRR-UHFFFAOYSA-N 2 0 216.394 1.812 20 0 BDADRP C([C@H]1CCCC[NH2+]C1)[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000707632865 712176085 /nfs/dbraw/zinc/17/60/85/712176085.db2.gz CCDKOWLBXVGUJH-KBPBESRZSA-N 2 0 238.375 1.489 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+]C1CCOCC1)[NH2+]2 ZINC000709434723 712221629 /nfs/dbraw/zinc/22/16/29/712221629.db2.gz JZHVWNHCKUXJJK-MGAJPHDKSA-N 2 0 224.348 1.284 20 0 BDADRP C[C@@]1(C(F)(F)F)CC[N@H+](CCC[NH3+])C1 ZINC000709574200 712224910 /nfs/dbraw/zinc/22/49/10/712224910.db2.gz JPYAZOUPGZGQSL-MRVPVSSYSA-N 2 0 210.243 1.610 20 0 BDADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCCCF)C2 ZINC000709823617 712228866 /nfs/dbraw/zinc/22/88/66/712228866.db2.gz QVBBWJAUFINITJ-SRVKXCTJSA-N 2 0 214.328 1.938 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000709892624 712231416 /nfs/dbraw/zinc/23/14/16/712231416.db2.gz NSBQTRIWCRLVKB-HZSPNIEDSA-N 2 0 238.375 1.487 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2ccns2)C12CCC2 ZINC000709969197 712235993 /nfs/dbraw/zinc/23/59/93/712235993.db2.gz YQVPBAGHPSZGEM-QWRGUYRKSA-N 2 0 237.372 1.545 20 0 BDADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1cn(C)cn1 ZINC000709971069 712236133 /nfs/dbraw/zinc/23/61/33/712236133.db2.gz WMOIGSHJACIKIL-LLVKDONJSA-N 2 0 224.352 1.413 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cn(C)cn1 ZINC000710032924 712242558 /nfs/dbraw/zinc/24/25/58/712242558.db2.gz HTQYZPSCNFXFHN-LLVKDONJSA-N 2 0 236.363 1.413 20 0 BDADRP FCC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000710260536 712249742 /nfs/dbraw/zinc/24/97/42/712249742.db2.gz HRSCTLDXZXYROF-LBPRGKRZSA-N 2 0 214.328 1.668 20 0 BDADRP FC[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000711443297 712300984 /nfs/dbraw/zinc/30/09/84/712300984.db2.gz MHZLWTOKOSMYRS-GFCCVEGCSA-N 2 0 214.328 1.668 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@H](CF)C2)C1 ZINC000711457492 712304592 /nfs/dbraw/zinc/30/45/92/712304592.db2.gz VQFBPCXKTKMEJH-HBNTYKKESA-N 2 0 200.301 1.405 20 0 BDADRP C[NH+]1CCC(C[NH2+]C[C@H]2C=CCC2)CC1 ZINC000711670674 712315831 /nfs/dbraw/zinc/31/58/31/712315831.db2.gz WNPYYZJPNGQRPO-LBPRGKRZSA-N 2 0 208.349 1.884 20 0 BDADRP C1=C[C@H](C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000711683781 712317510 /nfs/dbraw/zinc/31/75/10/712317510.db2.gz FLBRLSZSNZBIJV-VZKILSJISA-N 2 0 218.344 1.539 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](CCOC2CC2)C1 ZINC000711753408 712325129 /nfs/dbraw/zinc/32/51/29/712325129.db2.gz QNMVZSVQXZTKEY-NSHDSACASA-N 2 0 212.337 1.097 20 0 BDADRP CCc1nocc1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923480099 712334298 /nfs/dbraw/zinc/33/42/98/712334298.db2.gz FJLZXMWIJQSMPA-JTQLQIEISA-N 2 0 223.320 1.408 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC000923480283 712334723 /nfs/dbraw/zinc/33/47/23/712334723.db2.gz WLGRRKUBOILWBH-CABCVRRESA-N 2 0 248.370 1.261 20 0 BDADRP CC[C@@H](CO)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000379007784 712367637 /nfs/dbraw/zinc/36/76/37/712367637.db2.gz IFYCWOKJZFYWCS-QWHCGFSZSA-N 2 0 228.380 1.564 20 0 BDADRP C[C@H]1CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000379787189 712399375 /nfs/dbraw/zinc/39/93/75/712399375.db2.gz IENXQESMUOOYPU-ZZIFITQXSA-N 2 0 208.349 2.000 20 0 BDADRP Cn1cc(CCN2CC[NH2+]CCC2(C)C)cn1 ZINC000712559579 712445957 /nfs/dbraw/zinc/44/59/57/712445957.db2.gz ZKHDDBLIGZELKU-UHFFFAOYSA-N 2 0 236.363 1.037 20 0 BDADRP C([C@@H]1CCCCO1)[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000713215135 712455121 /nfs/dbraw/zinc/45/51/21/712455121.db2.gz FYZUYFQDFXNQPN-ZDUSSCGKSA-N 2 0 238.375 1.774 20 0 BDADRP CC[C@H](O)C[N@H+](C)C1(C[NH3+])CCCCC1 ZINC000713352916 712458716 /nfs/dbraw/zinc/45/87/16/712458716.db2.gz ZPPJIHPOFDNDFQ-NSHDSACASA-N 2 0 214.353 1.351 20 0 BDADRP FC(F)(F)OCCCN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000713399376 712459102 /nfs/dbraw/zinc/45/91/02/712459102.db2.gz YGRFLVHOPHBGCT-IUCAKERBSA-N 2 0 238.253 1.064 20 0 BDADRP [NH3+]CC1CC[NH+](CCCOC(F)(F)F)CC1 ZINC000713398861 712459233 /nfs/dbraw/zinc/45/92/33/712459233.db2.gz RBZYWLWKZFKRDK-UHFFFAOYSA-N 2 0 240.269 1.584 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H]2CCC(C)(C)CO2)C1 ZINC000713584356 712466315 /nfs/dbraw/zinc/46/63/15/712466315.db2.gz DQEYHUSJULYXJT-XQQFMLRXSA-N 2 0 240.391 1.861 20 0 BDADRP CC1(C)CCC[C@H](C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)O1 ZINC000714375492 712484676 /nfs/dbraw/zinc/48/46/76/712484676.db2.gz UWWMAPULBGFDEZ-JHJVBQTASA-N 2 0 238.375 1.485 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000714630371 712488805 /nfs/dbraw/zinc/48/88/05/712488805.db2.gz LOYASJNASNJWHI-RKQHYHRCSA-N 2 0 238.375 1.389 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000715203541 712513936 /nfs/dbraw/zinc/51/39/36/712513936.db2.gz DXJRFMCURKLRJZ-CHWSQXEVSA-N 2 0 249.358 1.750 20 0 BDADRP CC1([NH3+])CC[NH+](C[C@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000715401205 712516778 /nfs/dbraw/zinc/51/67/78/712516778.db2.gz HRUDDNGPERWPLC-OLZOCXBDSA-N 2 0 238.375 1.757 20 0 BDADRP Cc1c[nH]nc1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000715420744 712518293 /nfs/dbraw/zinc/51/82/93/712518293.db2.gz ABVOPYIEVUJISF-UHFFFAOYSA-N 2 0 222.336 1.420 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@H]2CC[C@H](C3CC3)O2)C1 ZINC000715434022 712518968 /nfs/dbraw/zinc/51/89/68/712518968.db2.gz FGBUQCDKJKGHSQ-MRVWCRGKSA-N 2 0 238.375 1.615 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H](C3CC3)O2)CC[C@H]1[NH3+] ZINC000715479658 712520680 /nfs/dbraw/zinc/52/06/80/712520680.db2.gz HWNYQVHBMHWCHG-YXCITZCRSA-N 2 0 238.375 1.613 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](C[C@H]2CC[C@@H](C3CC3)O2)C1 ZINC000715503838 712523773 /nfs/dbraw/zinc/52/37/73/712523773.db2.gz RJWDVNGCTHMBIL-UHTWSYAYSA-N 2 0 224.348 1.225 20 0 BDADRP CC(C)([NH3+])CC[NH2+]C1CCC2(CC1)OCCO2 ZINC000715752550 712531975 /nfs/dbraw/zinc/53/19/75/712531975.db2.gz FKLSWGLNSLSNFP-UHFFFAOYSA-N 2 0 242.363 1.389 20 0 BDADRP Cc1cn[nH]c1C[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000716445280 712561279 /nfs/dbraw/zinc/56/12/79/712561279.db2.gz CZNHDFDBPUGXTQ-SNVBAGLBSA-N 2 0 222.336 1.196 20 0 BDADRP C[N@H+](CCCF)C[C@@]1(C)CCC[NH2+]C1 ZINC000716754738 712572336 /nfs/dbraw/zinc/57/23/36/712572336.db2.gz VXLDGKOVBYRILU-NSHDSACASA-N 2 0 202.317 1.668 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000716802268 712575142 /nfs/dbraw/zinc/57/51/42/712575142.db2.gz PXLSTUQJXMLGBR-VPCRRHSYSA-N 2 0 238.375 1.124 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000716802262 712575183 /nfs/dbraw/zinc/57/51/83/712575183.db2.gz PXLSTUQJXMLGBR-BSCCGWMCSA-N 2 0 238.375 1.124 20 0 BDADRP FC1(F)CC[NH2+]C[C@H]1C[NH2+]C1CCCC1 ZINC000717007996 712604149 /nfs/dbraw/zinc/60/41/49/712604149.db2.gz ACQKKHNZXFZOFS-VIFPVBQESA-N 2 0 218.291 1.763 20 0 BDADRP CC1(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000717282324 712644554 /nfs/dbraw/zinc/64/45/54/712644554.db2.gz CJNLQWLCEKHVMH-SECBINFHSA-N 2 0 218.291 1.621 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H](CO)C2CCC2)C12CCC2 ZINC000717596181 712661063 /nfs/dbraw/zinc/66/10/63/712661063.db2.gz VKUOFOPPOYEKHR-UTUOFQBUSA-N 2 0 224.348 1.007 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000718157832 712749792 /nfs/dbraw/zinc/74/97/92/712749792.db2.gz WZEXFDUIPOXQHW-TXEJJXNPSA-N 2 0 212.337 1.084 20 0 BDADRP C[C@@H](C[NH+]1CCCCC1)NC1CC[NH2+]CC1 ZINC000038041410 712801187 /nfs/dbraw/zinc/80/11/87/712801187.db2.gz PVJRMEBGJPZCBB-LBPRGKRZSA-N 2 0 225.380 1.202 20 0 BDADRP CSCC1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000719297465 712804153 /nfs/dbraw/zinc/80/41/53/712804153.db2.gz CGEPICPHKLDFIL-GFCCVEGCSA-N 2 0 228.405 1.671 20 0 BDADRP Cc1nc(C[NH2+]C[C@H]2C[C@@H]([NH3+])C2)sc1C ZINC000719528857 712808775 /nfs/dbraw/zinc/80/87/75/712808775.db2.gz PKRROKPSQHYTQW-AOOOYVTPSA-N 2 0 225.361 1.587 20 0 BDADRP Cc1cc(N[C@H]2CC[N@H+](C)[C@H]2C)cc[nH+]1 ZINC000719571302 712811371 /nfs/dbraw/zinc/81/13/71/712811371.db2.gz SBVQACKUBZBOGD-JQWIXIFHSA-N 2 0 205.305 1.316 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](CCc2ccns2)C1 ZINC000719831464 712823778 /nfs/dbraw/zinc/82/37/78/712823778.db2.gz KROVBEVKYCLBTR-LLVKDONJSA-N 2 0 225.361 1.356 20 0 BDADRP C[C@H](O)[C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000719824176 712823931 /nfs/dbraw/zinc/82/39/31/712823931.db2.gz ZXMURKDOCKXGSE-KZWUZSNJSA-N 2 0 238.375 1.220 20 0 BDADRP Cc1cc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c(C)nn1 ZINC000720585157 712854603 /nfs/dbraw/zinc/85/46/03/712854603.db2.gz WIZDPRDGLYTAMN-PWSUYJOCSA-N 2 0 234.347 1.263 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC[C@@H]1[NH3+] ZINC000720848207 712870238 /nfs/dbraw/zinc/87/02/38/712870238.db2.gz UDVVYUYHFYZERJ-QMVSFRDZSA-N 2 0 238.375 1.613 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)CC[C@H]1[NH3+] ZINC000720848204 712870274 /nfs/dbraw/zinc/87/02/74/712870274.db2.gz UDVVYUYHFYZERJ-MBJXGIAVSA-N 2 0 238.375 1.613 20 0 BDADRP C([C@H]1C[C@H]2CCC[C@H]2O1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000720866845 712871722 /nfs/dbraw/zinc/87/17/22/712871722.db2.gz DVDTVBRUSAZUDS-RKQHYHRCSA-N 2 0 236.359 1.095 20 0 BDADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2CCC[NH2+]C1CC1 ZINC000720902968 712876053 /nfs/dbraw/zinc/87/60/53/712876053.db2.gz WCZKQGTYLOIHJB-UONOGXRCSA-N 2 0 237.391 1.297 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H](O)C2)c2ccccc21 ZINC000720935930 712879999 /nfs/dbraw/zinc/87/99/99/712879999.db2.gz KWIMTWJXQWNQIE-MHWZDGSBSA-N 2 0 232.327 1.492 20 0 BDADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1C[C@H](O)C1 ZINC000720951047 712881859 /nfs/dbraw/zinc/88/18/59/712881859.db2.gz HBBLKIMRUJSFMP-FQUUOJAGSA-N 2 0 240.391 1.658 20 0 BDADRP C[C@@H](C[NH3+])C[N@H+](C)[C@H]1COC(C)(C)C1 ZINC000396634019 957095013 /nfs/dbraw/zinc/09/50/13/957095013.db2.gz HCDDZNXYCUXHCB-VHSXEESVSA-N 2 0 200.326 1.081 20 0 BDADRP CN(C)c1cc[nH+]c(N2CCC[C@@H]([NH+](C)C)C2)c1 ZINC001165038623 721890790 /nfs/dbraw/zinc/89/07/90/721890790.db2.gz JPJKEVDXAYYTEJ-CYBMUJFWSA-N 2 0 248.374 1.678 20 0 BDADRP C[NH+](C)CC1CCN(c2cccc(N)[nH+]2)CC1 ZINC000168779775 721943842 /nfs/dbraw/zinc/94/38/42/721943842.db2.gz LQGPLZBTZYCFSE-UHFFFAOYSA-N 2 0 234.347 1.442 20 0 BDADRP Cc1c[nH+]c(N2CCC(C[NH+](C)C)CC2)c(N)c1 ZINC000090691040 721947477 /nfs/dbraw/zinc/94/74/77/721947477.db2.gz UKVXQHDIOLAPSZ-UHFFFAOYSA-N 2 0 248.374 1.750 20 0 BDADRP C[C@H]1C[NH+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H](C)S1 ZINC000693564136 958815274 /nfs/dbraw/zinc/81/52/74/958815274.db2.gz ZULSNWDUYDEKAA-XWLWVQCSSA-N 2 0 214.378 1.550 20 0 BDADRP CSCCC[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693592912 958899492 /nfs/dbraw/zinc/89/94/92/958899492.db2.gz UCDPMKLWQQQDSH-AOOOYVTPSA-N 2 0 202.367 1.409 20 0 BDADRP CCC[N@H+](C)C[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000081571070 959550915 /nfs/dbraw/zinc/55/09/15/959550915.db2.gz JYEUXIUVMNAZMY-GFCCVEGCSA-N 2 0 228.380 1.421 20 0 BDADRP CC[N@@H+]1CC[C@@H](Oc2cc[nH+]c(N)c2)C1 ZINC001226657422 975006363 /nfs/dbraw/zinc/00/63/63/975006363.db2.gz PMCJGGFQQCGKEG-SNVBAGLBSA-N 2 0 207.277 1.137 20 0 BDADRP O[C@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709489813 960620093 /nfs/dbraw/zinc/62/00/93/960620093.db2.gz VWCCZKQAOTVBCE-RSMQCKGYSA-N 2 0 224.348 1.163 20 0 BDADRP COC[C@@H]1CCC[N@H+](CCCCCC[NH3+])C1 ZINC000234728702 961636606 /nfs/dbraw/zinc/63/66/06/961636606.db2.gz DFWJAFZXNDSPBO-CYBMUJFWSA-N 2 0 228.380 1.864 20 0 BDADRP C[C@@]1([NH3+])CC[N@H+](CC2(C)CCOCC2)C1 ZINC001204763142 963374958 /nfs/dbraw/zinc/37/49/58/963374958.db2.gz HGUVEDWZEROFCQ-GFCCVEGCSA-N 2 0 212.337 1.226 20 0 BDADRP COCC1C[NH+](C2CCC([NH+](C)C)CC2)C1 ZINC001168316032 964437495 /nfs/dbraw/zinc/43/74/95/964437495.db2.gz UCFKWGPEBRGQQH-UHFFFAOYSA-N 2 0 226.364 1.437 20 0 BDADRP CN(C(=O)[C@H]([NH3+])C(C)(C)C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161062913 964511562 /nfs/dbraw/zinc/51/15/62/964511562.db2.gz LARZZJHWSFFBIC-DCAQKATOSA-N 2 0 241.379 1.088 20 0 BDADRP C[C@H](CC[NH2+][C@@H]1CO[C@H](C)C1)[NH+](C)C ZINC000697836530 964554225 /nfs/dbraw/zinc/55/42/25/964554225.db2.gz IXCYCVRJVHHADN-MXWKQRLJSA-N 2 0 200.326 1.094 20 0 BDADRP CCC[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001166010873 966229344 /nfs/dbraw/zinc/22/93/44/966229344.db2.gz SPUXMRDERBACBG-GFCCVEGCSA-N 2 0 243.395 1.079 20 0 BDADRP C[C@H]1C[N@H+](CC2CCSCC2)C[C@H]1C[NH3+] ZINC001205130546 967358344 /nfs/dbraw/zinc/35/83/44/967358344.db2.gz HOSFHZPGNZLNPX-CMPLNLGQSA-N 2 0 228.405 1.656 20 0 BDADRP C[C@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@H]1C[NH3+] ZINC001205131379 967378899 /nfs/dbraw/zinc/37/88/99/967378899.db2.gz WRMIZCRVWIEOLT-TUAOUCFPSA-N 2 0 212.337 1.082 20 0 BDADRP Cc1cnsc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205151021 967392930 /nfs/dbraw/zinc/39/29/30/967392930.db2.gz NLXJRSZDEZQMSL-VHSXEESVSA-N 2 0 225.361 1.478 20 0 BDADRP Cc1cccnc1CN(C)C1CC[NH+](C)CC1 ZINC001205763693 967814646 /nfs/dbraw/zinc/81/46/46/967814646.db2.gz UNVJFJRPTQTMIT-UHFFFAOYSA-N 2 0 233.359 1.916 20 0 BDADRP CSCCC[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205735648 967810211 /nfs/dbraw/zinc/81/02/11/967810211.db2.gz OZQWOUNPFLONAZ-VIFPVBQESA-N 2 0 238.347 1.655 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCc2c(O)cccc2C1 ZINC001205923296 967884632 /nfs/dbraw/zinc/88/46/32/967884632.db2.gz MFLBSKRNEYYSAX-UHFFFAOYSA-N 2 0 220.316 1.489 20 0 BDADRP Cc1coc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)n1 ZINC001206324746 968230055 /nfs/dbraw/zinc/23/00/55/968230055.db2.gz CZUJDXRTCLWTEL-ZDUSSCGKSA-N 2 0 237.347 1.934 20 0 BDADRP CCc1cc(CN2CCCC[C@H](C[NH3+])C2)on1 ZINC001206606563 968415297 /nfs/dbraw/zinc/41/52/97/968415297.db2.gz PIESYEWJKVNSHH-LLVKDONJSA-N 2 0 237.347 1.798 20 0 BDADRP CCCC[N@H+](C)CCC[NH2+]C[C@H](O)COCC ZINC001252042548 968454747 /nfs/dbraw/zinc/45/47/47/968454747.db2.gz KRGOWUQRGODALG-ZDUSSCGKSA-N 2 0 246.395 1.095 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCC[C@H]3C[C@H]32)CC1 ZINC001207399854 968741099 /nfs/dbraw/zinc/74/10/99/968741099.db2.gz WVZSIQJHULASNU-QWHCGFSZSA-N 2 0 208.349 1.813 20 0 BDADRP CC[N@H+](CC1CC[NH+](C)CC1)[C@@H](C)C(=O)OC ZINC001207403298 968754858 /nfs/dbraw/zinc/75/48/58/968754858.db2.gz SGVWPEHNLBXJLQ-NSHDSACASA-N 2 0 242.363 1.212 20 0 BDADRP CCOCC1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC001207439658 968774280 /nfs/dbraw/zinc/77/42/80/968774280.db2.gz YELUSBCKQXEBCL-UHFFFAOYSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@@H]1C[N@H+](CCC2CC[NH+](C)CC2)CCN1C ZINC001207486780 968796038 /nfs/dbraw/zinc/79/60/38/968796038.db2.gz NECYUBVFCXBMCF-CYBMUJFWSA-N 2 0 239.407 1.354 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CCO1 ZINC000405453814 968990124 /nfs/dbraw/zinc/99/01/24/968990124.db2.gz YEYVMJYNUPINQS-KKOKHZNYSA-N 2 0 224.348 1.413 20 0 BDADRP C[NH+]1CCC(C)(C[N@@H+]2CCCC[C@@H]2CO)CC1 ZINC001208105563 969004312 /nfs/dbraw/zinc/00/43/12/969004312.db2.gz XOWGPDLEHTZZAI-CYBMUJFWSA-N 2 0 240.391 1.565 20 0 BDADRP C[NH+]1CCC(C)(C[N@@H+]2CCOCC23CC3)CC1 ZINC001208108164 969002896 /nfs/dbraw/zinc/00/28/96/969002896.db2.gz ACJZKVDUTYTVRK-UHFFFAOYSA-N 2 0 238.375 1.583 20 0 BDADRP C[NH+]1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC001208105667 969003359 /nfs/dbraw/zinc/00/33/59/969003359.db2.gz YYTPOSXGYJIGJT-UHFFFAOYSA-N 2 0 212.337 1.051 20 0 BDADRP CC(C)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC001208129884 969031545 /nfs/dbraw/zinc/03/15/45/969031545.db2.gz LLHMUJVVNKLYJV-UHFFFAOYSA-N 2 0 227.396 1.353 20 0 BDADRP CC[NH+](CC)C[C@@H](O)C[NH2+]C[Si](C)(C)C ZINC001253208839 969110359 /nfs/dbraw/zinc/11/03/59/969110359.db2.gz BKUBCOXSYXIVPG-NSHDSACASA-N 2 0 232.444 1.156 20 0 BDADRP CC[C@H](C)C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253384535 969138356 /nfs/dbraw/zinc/13/83/56/969138356.db2.gz XRJRMPWDJRLKSM-QWRGUYRKSA-N 2 0 216.369 1.371 20 0 BDADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC001253384603 969149332 /nfs/dbraw/zinc/14/93/32/969149332.db2.gz BBTTWVDJRMYXTL-RWMBFGLXSA-N 2 0 240.391 1.467 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CC[C@@H](OC)C2)CC1 ZINC001208593483 969150331 /nfs/dbraw/zinc/15/03/31/969150331.db2.gz UBRRCRNZCBHYGS-CYBMUJFWSA-N 2 0 226.364 1.439 20 0 BDADRP COCC1CC[NH+](C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001208604554 969154818 /nfs/dbraw/zinc/15/48/18/969154818.db2.gz QGTDPWPROCWSKG-CQSZACIVSA-N 2 0 240.391 1.687 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CCCC[C@@H](O)C2)CC1 ZINC001208593672 969152318 /nfs/dbraw/zinc/15/23/18/969152318.db2.gz YYWNKXTWMFENHB-CQSZACIVSA-N 2 0 240.391 1.565 20 0 BDADRP C[C@@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)C1CCC1 ZINC001253411693 969165928 /nfs/dbraw/zinc/16/59/28/969165928.db2.gz STTQJWXDQQHHRH-PWSUYJOCSA-N 2 0 228.380 1.514 20 0 BDADRP CCO[C@@H]1CC[N@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208616658 969173562 /nfs/dbraw/zinc/17/35/62/969173562.db2.gz KZBSADRHIHQHCA-QWHCGFSZSA-N 2 0 226.364 1.439 20 0 BDADRP COCOCCC[N@@H+]1C[C@H]2CCCN(C)[C@@H]2C1 ZINC001209032712 969328647 /nfs/dbraw/zinc/32/86/47/969328647.db2.gz UDVCPPHVHWYSGT-CHWSQXEVSA-N 2 0 242.363 1.023 20 0 BDADRP CCCC[C@@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169091858 969410746 /nfs/dbraw/zinc/41/07/46/969410746.db2.gz WISAZADYZWVBHD-XDQVBPFNSA-N 2 0 240.391 1.752 20 0 BDADRP C[C@H](C[NH3+])CN(C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169110519 969449588 /nfs/dbraw/zinc/44/95/88/969449588.db2.gz MANUGRIDDQCYCI-FVCCEPFGSA-N 2 0 225.380 1.138 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CC[C@](C)(O)CC2)CC1 ZINC001254498419 969661072 /nfs/dbraw/zinc/66/10/72/969661072.db2.gz ZRWJFYATCSZFOX-MGPQQGTHSA-N 2 0 240.391 1.754 20 0 BDADRP CCCC[C@H]([NH2+][C@H]1CCC[N@H+](C)CC1)C(N)=O ZINC001254511477 969678642 /nfs/dbraw/zinc/67/86/42/969678642.db2.gz AMLHOTKIMLJTGW-RYUDHWBXSA-N 2 0 241.379 1.104 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH+]2CCCC[C@H](O)C2)CC1 ZINC001254517289 969694326 /nfs/dbraw/zinc/69/43/26/969694326.db2.gz UATRGTGFXYZSNS-OLZOCXBDSA-N 2 0 226.364 1.318 20 0 BDADRP C[C@@H]1C[N@@H+]([C@@H]2CCC[NH+](C)CC2)CC[C@@]1(C)O ZINC001254517357 969702520 /nfs/dbraw/zinc/70/25/20/969702520.db2.gz UXIGIIGPTNEAEO-MGPQQGTHSA-N 2 0 240.391 1.564 20 0 BDADRP CC(C)[N@H+](CCCO)[C@H]1CCC[NH+](C)CC1 ZINC001254521930 969712348 /nfs/dbraw/zinc/71/23/48/969712348.db2.gz AFAKJLFRACAGOA-ZDUSSCGKSA-N 2 0 228.380 1.564 20 0 BDADRP CCCO[C@H]1CC[N@@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254524696 969722691 /nfs/dbraw/zinc/72/26/91/969722691.db2.gz YTCPVYPCMFJMPB-KGLIPLIRSA-N 2 0 240.391 1.972 20 0 BDADRP CCOC(=O)[C@@H]1CCC[C@H]([NH2+]C[C@H](C)C[NH3+])C1 ZINC001255348466 970121475 /nfs/dbraw/zinc/12/14/75/970121475.db2.gz IEVIKZLGVWMYRS-UTUOFQBUSA-N 2 0 242.363 1.293 20 0 BDADRP CC(C)[N@@H+]1CCN([C@H]2CC[NH+](C)C2)C[C@@H]1C ZINC001255443135 970173654 /nfs/dbraw/zinc/17/36/54/970173654.db2.gz KDUUHJFJSIRDMO-STQMWFEESA-N 2 0 225.380 1.105 20 0 BDADRP CN1CCC[C@@H]([NH+]2CC3(C2)CC[NH+](C)CC3)C1 ZINC001255492714 970248821 /nfs/dbraw/zinc/24/88/21/970248821.db2.gz LFUJLIQSFWVTGL-CYBMUJFWSA-N 2 0 237.391 1.108 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+][C@H]1CCC[C@@H](O)C1 ZINC001255945564 970574192 /nfs/dbraw/zinc/57/41/92/970574192.db2.gz GNEAUQMHUOSJLH-MELADBBJSA-N 2 0 242.407 2.000 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N1CC[C@H]([NH3+])C1 ZINC001255942823 970574289 /nfs/dbraw/zinc/57/42/89/970574289.db2.gz INFBSZCXTWGBIQ-NEPJUHHUSA-N 2 0 213.369 1.140 20 0 BDADRP CC[NH+](CC)CC[C@H](C)NC[C@H]1CC[N@H+](C)C1 ZINC001255944683 970574707 /nfs/dbraw/zinc/57/47/07/970574707.db2.gz XSQKDFYJYBDXBZ-UONOGXRCSA-N 2 0 241.423 1.648 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N[C@H]1CCC[N@H+](C)C1 ZINC001255944598 970578461 /nfs/dbraw/zinc/57/84/61/970578461.db2.gz WCZOMSHZADHLST-KGLIPLIRSA-N 2 0 241.423 1.791 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1O ZINC001255945887 970577741 /nfs/dbraw/zinc/57/77/41/970577741.db2.gz OXRUGEPQQABOSI-MCIONIFRSA-N 2 0 242.407 2.000 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)NC[C@H](C)C[NH3+] ZINC001255949987 970584203 /nfs/dbraw/zinc/58/42/03/970584203.db2.gz DLTPTNKSCYLQCR-VXGBXAGGSA-N 2 0 215.385 1.291 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]CCc1cnoc1 ZINC001255954716 970586151 /nfs/dbraw/zinc/58/61/51/970586151.db2.gz YQGIHGWGRWSNMP-LBPRGKRZSA-N 2 0 239.363 1.927 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N1C[C@@H]2C[C@H]1C[N@@H+]2C ZINC001255966724 970600162 /nfs/dbraw/zinc/60/01/62/970600162.db2.gz MPQUTSMYMPQDFJ-IHRRRGAJSA-N 2 0 239.407 1.495 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N1C[C@@H]2C[C@H]1C[N@@H+]2C ZINC001255966727 970601976 /nfs/dbraw/zinc/60/19/76/970601976.db2.gz MPQUTSMYMPQDFJ-RDBSUJKOSA-N 2 0 239.407 1.495 20 0 BDADRP C[NH+]1CCC([NH+]2CCC3(CCCO3)CC2)CC1 ZINC001256207205 970710477 /nfs/dbraw/zinc/71/04/77/970710477.db2.gz BYBLJWWADWDROQ-UHFFFAOYSA-N 2 0 238.375 1.726 20 0 BDADRP CC[NH+](CC)C1CCC([NH2+]CCN(C)C)CC1 ZINC001173103421 975022673 /nfs/dbraw/zinc/02/26/73/975022673.db2.gz BJFLCTDCNSFABV-UHFFFAOYSA-N 2 0 241.423 1.791 20 0 BDADRP CC[C@H]1CC[C@H]([NH2+]CCN(C)CC[NH3+])C1 ZINC001173274969 975157685 /nfs/dbraw/zinc/15/76/85/975157685.db2.gz RQYNFZJMHCZJEY-RYUDHWBXSA-N 2 0 213.369 1.045 20 0 BDADRP CC[N@@H+]1CC[C@@H](Nc2cccnc2C[NH3+])C1 ZINC001173357114 975314292 /nfs/dbraw/zinc/31/42/92/975314292.db2.gz IBZITUQPLIHMTJ-SNVBAGLBSA-N 2 0 220.320 1.046 20 0 BDADRP CC(C)CC[C@@H](O)C[NH2+]CC1=CC[N@H+](C)CC1 ZINC001338488709 978696230 /nfs/dbraw/zinc/69/62/30/978696230.db2.gz OEFXLRWHOBNWLT-CQSZACIVSA-N 2 0 240.391 1.635 20 0 BDADRP CO[C@H]1CCC[C@@H]2C[N@H+](C[C@H](C)[NH3+])C[C@@H]21 ZINC001235624968 979105669 /nfs/dbraw/zinc/10/56/69/979105669.db2.gz NJTMXPRVEXGUBU-USZNOCQGSA-N 2 0 212.337 1.081 20 0 BDADRP C[C@@H]1CCC[N@H+](C[C@@H]2CNC(C)(C)O2)[C@@H]1C ZINC001235695620 979123750 /nfs/dbraw/zinc/12/37/50/979123750.db2.gz XEHPZWFDADTZQN-UTUOFQBUSA-N 2 0 226.364 1.831 20 0 BDADRP CCCCCC[NH+]1CCN(C[C@@H](C)[NH3+])CC1 ZINC001235692793 979124920 /nfs/dbraw/zinc/12/49/20/979124920.db2.gz SVWULBUPCVGNHD-CYBMUJFWSA-N 2 0 227.396 1.532 20 0 BDADRP CN(C[C@@H]1CCC[NH2+]C1)C[C@@H]1CCCC[NH2+]1 ZINC001235950830 979220242 /nfs/dbraw/zinc/22/02/42/979220242.db2.gz NQHHHXVHQCPECG-OLZOCXBDSA-N 2 0 225.380 1.060 20 0 BDADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@H]1CCCCC[NH2+]1 ZINC001341240986 979280958 /nfs/dbraw/zinc/28/09/58/979280958.db2.gz HSVHHYLLLVNKAE-VXGBXAGGSA-N 2 0 241.379 1.008 20 0 BDADRP CC(C)N(C[C@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC001236468592 979605170 /nfs/dbraw/zinc/60/51/70/979605170.db2.gz KGJOESSGMZSWND-UONOGXRCSA-N 2 0 239.407 1.448 20 0 BDADRP [NH3+]CCCC[N@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236634072 979684792 /nfs/dbraw/zinc/68/47/92/979684792.db2.gz PUMDYJFCNIBWJC-UHFFFAOYSA-N 3 0 225.380 1.332 20 0 BDADRP CC[C@H]([NH3+])CN(C)C[C@H]([NH3+])Cc1ccccc1 ZINC001236858486 979766132 /nfs/dbraw/zinc/76/61/32/979766132.db2.gz CBVKBEQAUUNDRJ-UONOGXRCSA-N 2 0 235.375 1.226 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@H+](CCCCCO)C1 ZINC001237060239 979810675 /nfs/dbraw/zinc/81/06/75/979810675.db2.gz YUNJFEQUNLITGO-GFCCVEGCSA-N 2 0 214.353 1.210 20 0 BDADRP [NH3+]CCc1ccc(C2=CCC[NH2+]CC2)cc1 ZINC001238946786 980387361 /nfs/dbraw/zinc/38/73/61/980387361.db2.gz TWOVJZURAAALFC-UHFFFAOYSA-N 2 0 216.328 1.955 20 0 BDADRP C[C@@]1(C[N@H+]2CCC[C@](C)(CO)C2)CCC[NH2+]C1 ZINC001345159167 980570210 /nfs/dbraw/zinc/57/02/10/980570210.db2.gz CRRPWARGEOOJAP-KGLIPLIRSA-N 2 0 240.391 1.471 20 0 BDADRP C[C@H]1CC[N@H+](Cc2nccs2)CC[C@@H]1C[NH3+] ZINC001205602219 981164052 /nfs/dbraw/zinc/16/40/52/981164052.db2.gz HSWPEODUTOBCAE-WDEREUQCSA-N 2 0 239.388 1.950 20 0 BDADRP C[C@H]1CC[N@H+](Cc2ncc[nH]2)CC[C@@H]1C[NH3+] ZINC001205603600 981174370 /nfs/dbraw/zinc/17/43/70/981174370.db2.gz QURKBUDVWYEXCF-WDEREUQCSA-N 2 0 222.336 1.217 20 0 BDADRP C[NH2+][C@@H](C)CC[NH2+][C@H]1CCCC12CCOCC2 ZINC001348851974 981461274 /nfs/dbraw/zinc/46/12/74/981461274.db2.gz IYEQAWXESZGFET-STQMWFEESA-N 2 0 240.391 1.923 20 0 BDADRP O[C@H]1[C@H]([NH2+][C@H]2CCC[NH2+]CC2)CCCC1(F)F ZINC001580885853 981706957 /nfs/dbraw/zinc/70/69/57/981706957.db2.gz OZMBDDPRONDBED-AXFHLTTASA-N 2 0 248.317 1.267 20 0 BDADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H](C)CC[NH+](C)C ZINC001585149455 981910856 /nfs/dbraw/zinc/91/08/56/981910856.db2.gz FOAKLQZCCABEKS-NWDGAFQWSA-N 2 0 243.395 1.031 20 0 BDADRP [NH3+]Cc1ccc(-c2cc(C[NH3+])ncn2)cc1 ZINC001241910900 983125545 /nfs/dbraw/zinc/12/55/45/983125545.db2.gz BKPMWEMGVZRPSS-UHFFFAOYSA-N 2 0 214.272 1.061 20 0 BDADRP CCOCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC001172422662 974697181 /nfs/dbraw/zinc/69/71/81/974697181.db2.gz GWCMDUUOOMBAKB-GARJFASQSA-N 2 0 200.326 1.271 20 0 BDADRP CC[C@@H](CC(C)C)[NH+]1CCN(CCC[NH3+])CC1 ZINC001172396764 974752548 /nfs/dbraw/zinc/75/25/48/974752548.db2.gz XRLZPXHXVSCRPP-AWEZNQCLSA-N 2 0 241.423 1.778 20 0 BDADRP CC(C)OCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC001172439976 974797122 /nfs/dbraw/zinc/79/71/22/974797122.db2.gz HSEBQPMIKOVVFE-SDDRHHMPSA-N 2 0 214.353 1.659 20 0 BDADRP CC(C)COCC[C@@H](C)[N@H+](C)C[C@H](C)C[NH3+] ZINC001172463433 974827797 /nfs/dbraw/zinc/82/77/97/974827797.db2.gz OKHBQCGKHPTSNM-CHWSQXEVSA-N 2 0 230.396 1.964 20 0 BDADRP C[NH2+]CC[C@@H](C)N(C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001246596709 973009821 /nfs/dbraw/zinc/00/98/21/973009821.db2.gz VJBRIJRGUUDNOW-KGLIPLIRSA-N 2 0 241.423 1.837 20 0 BDADRP C[C@@H]1C[C@@H]([NH+]2CC(C)(C[NH3+])C2)C[C@H](C)O1 ZINC001246596780 973012144 /nfs/dbraw/zinc/01/21/44/973012144.db2.gz KMJVSRMMVAIZHV-JGPRNRPPSA-N 2 0 212.337 1.223 20 0 BDADRP C[NH2+]CC[C@@H](C)[N@@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001246604641 973022854 /nfs/dbraw/zinc/02/28/54/973022854.db2.gz HYAOMXZWLVQXPQ-KGLIPLIRSA-N 3 0 239.407 1.593 20 0 BDADRP C[C@@H](C[NH+](C)C)OCC1CC[NH+](C)CC1 ZINC001224456481 973660206 /nfs/dbraw/zinc/66/02/06/973660206.db2.gz ZORSMUMKSYUGJC-NSHDSACASA-N 2 0 214.353 1.295 20 0 BDADRP [NH3+]CC1(F)CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC001222528516 972533807 /nfs/dbraw/zinc/53/38/07/972533807.db2.gz XACIUWFWQUXLBI-NSHDSACASA-N 2 0 230.327 1.176 20 0 BDADRP [NH3+]C[C@@H]1C[N@H+](CCC2CC2)CCC1(F)F ZINC000403235153 970897422 /nfs/dbraw/zinc/89/74/22/970897422.db2.gz OAQDIYAEVKXKCE-SNVBAGLBSA-N 2 0 218.291 1.702 20 0 BDADRP [NH3+]Cc1ccnc(NC[C@@H]2CCCC[NH2+]2)c1 ZINC001171328211 973821583 /nfs/dbraw/zinc/82/15/83/973821583.db2.gz PRNCGJMIDIFIRA-NSHDSACASA-N 2 0 220.320 1.094 20 0 BDADRP [NH3+]C1CC([NH2+][C@H]2CCO[C@@H](c3ccccc3)C2)C1 ZINC001256792403 970987855 /nfs/dbraw/zinc/98/78/55/970987855.db2.gz JVVVHQPZGJWMQZ-OOJKYFRXSA-N 2 0 246.354 1.986 20 0 BDADRP CC(=O)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001256848538 970997419 /nfs/dbraw/zinc/99/74/19/970997419.db2.gz OGCJHMPAMNXQLP-UHFFFAOYSA-N 2 0 233.315 1.229 20 0 BDADRP Cc1[nH+]cn(-c2cccc(C[NH+](C)C)c2F)c1N ZINC001216228124 970995607 /nfs/dbraw/zinc/99/56/07/970995607.db2.gz RGOBSWNJIPVKQO-UHFFFAOYSA-N 2 0 248.305 1.964 20 0 BDADRP [NH3+][C@@H]1CCN([C@@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256898488 971011519 /nfs/dbraw/zinc/01/15/19/971011519.db2.gz MCZQVZNGPUCOCR-TZMCWYRMSA-N 2 0 237.391 1.426 20 0 BDADRP [NH3+]Cc1cncn1[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256894275 971011811 /nfs/dbraw/zinc/01/18/11/971011811.db2.gz GMVUDNFZNPWOKW-ZDUSSCGKSA-N 2 0 248.374 1.921 20 0 BDADRP CNc1cc(N(C)c2cc(N)cc[nH+]2)cc[nH+]1 ZINC001216333566 971046931 /nfs/dbraw/zinc/04/69/31/971046931.db2.gz GCEKSXSWXGNJPU-UHFFFAOYSA-N 2 0 229.287 1.868 20 0 BDADRP COC(=O)CC1CCC([NH2+]CCCC[NH3+])CC1 ZINC001256974574 971055019 /nfs/dbraw/zinc/05/50/19/971055019.db2.gz CSSVCGGKXGUAOT-UHFFFAOYSA-N 2 0 242.363 1.437 20 0 BDADRP c1cc(C2=C[NH2+]CCC2)cc(N2CC[NH2+]CC2)c1 ZINC001243953027 971060287 /nfs/dbraw/zinc/06/02/87/971060287.db2.gz SGIGRVJZMAQNDJ-UHFFFAOYSA-N 2 0 243.354 1.821 20 0 BDADRP C[C@@H]1CC([NH2+][C@H]2CCC[C@H]([NH3+])C2)C[C@@H](C)O1 ZINC001257078541 971092666 /nfs/dbraw/zinc/09/26/66/971092666.db2.gz MTLQLNRMAVHJNA-WYUUTHIRSA-N 2 0 226.364 1.802 20 0 BDADRP CC[C@H](C)[C@@H](CO)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC001257202355 971124121 /nfs/dbraw/zinc/12/41/21/971124121.db2.gz XTFCHZYJMZJQNB-GXTWGEPZSA-N 2 0 242.407 1.856 20 0 BDADRP CC(C)[NH+]1CCC(N2CC[C@H]([NH+](C)C)C2)CC1 ZINC001257212835 971128336 /nfs/dbraw/zinc/12/83/36/971128336.db2.gz ANTRYWPDDIYMBG-AWEZNQCLSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H]1CCC[N@H+](CCCCCCO)[C@H]1CC[NH3+] ZINC000404401992 971155994 /nfs/dbraw/zinc/15/59/94/971155994.db2.gz RUSFISKNBYWYQF-KGLIPLIRSA-N 2 0 242.407 1.988 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCCCCCO ZINC000404908991 971183767 /nfs/dbraw/zinc/18/37/67/971183767.db2.gz SZIPEEZEDRKVAY-GHMZBOCLSA-N 2 0 214.353 1.255 20 0 BDADRP CCC[C@@H](C)[NH2+]CCCOCCOCCC[NH3+] ZINC001257307063 971195358 /nfs/dbraw/zinc/19/53/58/971195358.db2.gz DRJIHDDZIANNAK-CYBMUJFWSA-N 2 0 246.395 1.537 20 0 BDADRP CCC[N@H+](CC)CCN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405201914 971206326 /nfs/dbraw/zinc/20/63/26/971206326.db2.gz BDPNCLNEDUXJIS-OLZOCXBDSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405213356 971207789 /nfs/dbraw/zinc/20/77/89/971207789.db2.gz IXCQRJAPZNUZLH-UTUOFQBUSA-N 2 0 226.364 1.397 20 0 BDADRP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405221527 971211302 /nfs/dbraw/zinc/21/13/02/971211302.db2.gz MULJQRRWGFOGCV-NNYUYHANSA-N 2 0 226.364 1.253 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2nccs2)C12CCC2 ZINC000405228034 971212136 /nfs/dbraw/zinc/21/21/36/971212136.db2.gz FAJDQTMVFFUPGS-NXEZZACHSA-N 2 0 237.372 1.545 20 0 BDADRP C[C@H](O)C[C@H](C)C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405221523 971214279 /nfs/dbraw/zinc/21/42/79/971214279.db2.gz MULJQRRWGFOGCV-BJDJZHNGSA-N 2 0 226.364 1.253 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCSC2)C12CCC2 ZINC000405259218 971218777 /nfs/dbraw/zinc/21/87/77/971218777.db2.gz NSSACFTUSHPIIU-QJPTWQEYSA-N 2 0 240.416 1.989 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405241213 971218829 /nfs/dbraw/zinc/21/88/29/971218829.db2.gz BDOKMRMSCOUXNY-UTUOFQBUSA-N 2 0 234.347 1.131 20 0 BDADRP CCOCCCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405289344 971227241 /nfs/dbraw/zinc/22/72/41/971227241.db2.gz XCUQRYGQTPIOIO-RYUDHWBXSA-N 2 0 226.364 1.663 20 0 BDADRP Cc1ccncc1C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405265643 971229046 /nfs/dbraw/zinc/22/90/46/971229046.db2.gz RDRRYBNNDDGENA-QWHCGFSZSA-N 2 0 231.343 1.750 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC2CCSCC2)C12CCC2 ZINC000405274696 971229120 /nfs/dbraw/zinc/22/91/20/971229120.db2.gz WLFZKPZXDKQQCI-VXGBXAGGSA-N 2 0 240.416 1.989 20 0 BDADRP CC(C)SCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405313020 971230088 /nfs/dbraw/zinc/23/00/88/971230088.db2.gz PULOIZGVCFUOBG-QWRGUYRKSA-N 2 0 228.405 1.988 20 0 BDADRP Cc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)ccn1 ZINC000405320044 971234156 /nfs/dbraw/zinc/23/41/56/971234156.db2.gz RAFVPGYLZYXBFE-OLZOCXBDSA-N 2 0 231.343 1.750 20 0 BDADRP C[C@H](CCO)CC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405322914 971234750 /nfs/dbraw/zinc/23/47/50/971234750.db2.gz VSUUUKKEPLUNKW-SRVKXCTJSA-N 2 0 226.364 1.255 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CC=CCC2)C12CCC2 ZINC000405323562 971235705 /nfs/dbraw/zinc/23/57/05/971235705.db2.gz SKSWAWFYRGCIIH-TUAOUCFPSA-N 2 0 206.333 1.955 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CS1 ZINC000405340838 971236923 /nfs/dbraw/zinc/23/69/23/971236923.db2.gz CQESVXYMOQMUQZ-RCWTZXSCSA-N 2 0 226.389 1.740 20 0 BDADRP CCCC(CCC)[NH2+]CCN(C)CC[NH3+] ZINC001257333687 971239831 /nfs/dbraw/zinc/23/98/31/971239831.db2.gz UTSPKSJWQQDONC-UHFFFAOYSA-N 2 0 215.385 1.435 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H]2CCCOC2)C12CCC2 ZINC000405373626 971240257 /nfs/dbraw/zinc/24/02/57/971240257.db2.gz ZVMLJLQDOFUXKQ-IJLUTSLNSA-N 2 0 224.348 1.273 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405344095 971242860 /nfs/dbraw/zinc/24/28/60/971242860.db2.gz JXZZSHILTZYLSX-RWMBFGLXSA-N 2 0 239.407 1.576 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC2CC(F)(F)C2)C12CCC2 ZINC000405395271 971248081 /nfs/dbraw/zinc/24/80/81/971248081.db2.gz ICIPWUUYMQSTPJ-NXEZZACHSA-N 2 0 230.302 1.891 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405398675 971248157 /nfs/dbraw/zinc/24/81/57/971248157.db2.gz JJHPHAFFDDIYKD-UTUOFQBUSA-N 2 0 226.364 1.255 20 0 BDADRP CSCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405395433 971250446 /nfs/dbraw/zinc/25/04/46/971250446.db2.gz IFUGMXRZGVKPSN-IUCAKERBSA-N 2 0 200.351 1.209 20 0 BDADRP CCCCOCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405394004 971251026 /nfs/dbraw/zinc/25/10/26/971251026.db2.gz HRJBIIZPVRJZOA-RYUDHWBXSA-N 2 0 226.364 1.663 20 0 BDADRP C[C@@H]1CSC[C@@H]1[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405405044 971253410 /nfs/dbraw/zinc/25/34/10/971253410.db2.gz RJOBJMJCLGBMDJ-RCWTZXSCSA-N 2 0 226.389 1.597 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](O)C2CCC2)C12CCC2 ZINC000405451321 971257451 /nfs/dbraw/zinc/25/74/51/971257451.db2.gz GQUZGEBJLIPHQK-QJPTWQEYSA-N 2 0 224.348 1.007 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2cccc(CO)c2)C12CCC2 ZINC000405471199 971261299 /nfs/dbraw/zinc/26/12/99/971261299.db2.gz KXXXGZDROUQLRO-ZIAGYGMSSA-N 2 0 246.354 1.538 20 0 BDADRP C([NH2+]C1CCCC1)C1CC[NH+](C2COC2)CC1 ZINC001257349639 971261547 /nfs/dbraw/zinc/26/15/47/971261547.db2.gz WAEQUQLTVPSZSZ-UHFFFAOYSA-N 2 0 238.375 1.629 20 0 BDADRP CC(C)(CO)CCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405511614 971264366 /nfs/dbraw/zinc/26/43/66/971264366.db2.gz SXAMFSZYYSNOMA-NWDGAFQWSA-N 2 0 240.391 1.645 20 0 BDADRP CCC1(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)COC1 ZINC000405515161 971264691 /nfs/dbraw/zinc/26/46/91/971264691.db2.gz ULGCELNJFNEOKY-GHMZBOCLSA-N 2 0 224.348 1.273 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCCOC2)C12CCC2 ZINC000405518020 971266024 /nfs/dbraw/zinc/26/60/24/971266024.db2.gz UWHFAFOSQSTVLJ-HBNTYKKESA-N 2 0 210.321 1.025 20 0 BDADRP CC(C)(CO)CCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405511618 971267161 /nfs/dbraw/zinc/26/71/61/971267161.db2.gz SXAMFSZYYSNOMA-VXGBXAGGSA-N 2 0 240.391 1.645 20 0 BDADRP Cc1ccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)cn1 ZINC000405552640 971269928 /nfs/dbraw/zinc/26/99/28/971269928.db2.gz BMQOKMFTWPORER-ZDUSSCGKSA-N 2 0 219.332 1.703 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CO[C@@H](C)[C@@H]1C)C[NH+](C)C ZINC000405608543 971281318 /nfs/dbraw/zinc/28/13/18/971281318.db2.gz OZPODCKHLJYYQF-NOOOWODRSA-N 2 0 214.353 1.197 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CO[C@H](C)[C@H]1C)C[NH+](C)C ZINC000405608539 971281621 /nfs/dbraw/zinc/28/16/21/971281621.db2.gz OZPODCKHLJYYQF-DDHJBXDOSA-N 2 0 214.353 1.197 20 0 BDADRP CCCC[C@@H](CC)[N@H+](CCN)CCO ZINC001257410570 971299843 /nfs/dbraw/zinc/29/98/43/971299843.db2.gz UWZFSRCRJNXMQG-LLVKDONJSA-N 2 0 202.342 1.208 20 0 BDADRP F[C@H]1CC[NH2+]C[C@@H]1OCC[C@H]1CCC[NH2+]C1 ZINC001217768037 971382129 /nfs/dbraw/zinc/38/21/29/971382129.db2.gz SEEBBFQBJJRTPO-WOPDTQHZSA-N 2 0 230.327 1.093 20 0 BDADRP F[C@@H]1C[NH2+]CCC[C@@H]1OC[C@H]1CCC[NH2+]C1 ZINC001217765949 971390680 /nfs/dbraw/zinc/39/06/80/971390680.db2.gz PNXPQONYYGLEAP-TUAOUCFPSA-N 2 0 230.327 1.093 20 0 BDADRP [NH3+]CCCCCCCO[C@@H]1CCC[NH2+]C1 ZINC001217768291 971394955 /nfs/dbraw/zinc/39/49/55/971394955.db2.gz GXMNLTNOJVDCJE-GFCCVEGCSA-N 2 0 214.353 1.664 20 0 BDADRP CC(C)(C[NH3+])CO[C@H]1C[NH2+]CCC[C@@H]1F ZINC001217774242 971398225 /nfs/dbraw/zinc/39/82/25/971398225.db2.gz OLZYVZRJEYUKOR-UWVGGRQHSA-N 2 0 218.316 1.078 20 0 BDADRP C(OC1CC2(C1)CC[NH2+]CC2)[C@H]1CCC[NH2+]C1 ZINC001217797632 971409794 /nfs/dbraw/zinc/40/97/94/971409794.db2.gz IZSDSCLOIAQZGI-LBPRGKRZSA-N 2 0 238.375 1.535 20 0 BDADRP C(O[C@@H]1CC[C@@H]2CCC[C@H]1[NH2+]2)C1CC[NH2+]CC1 ZINC001217820332 971417986 /nfs/dbraw/zinc/41/79/86/971417986.db2.gz NOKUJMGHHFRKDB-BFHYXJOUSA-N 2 0 238.375 1.676 20 0 BDADRP CCCCC[C@@H](C)[NH2+]CCN(C)CC[NH3+] ZINC001257504361 971421590 /nfs/dbraw/zinc/42/15/90/971421590.db2.gz XDJXLZSRHDKLAJ-GFCCVEGCSA-N 2 0 215.385 1.435 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](OCCCC[NH+](C)C)C1 ZINC001224991504 974122104 /nfs/dbraw/zinc/12/21/04/974122104.db2.gz USOWYMRRXLVZFK-CYBMUJFWSA-N 2 0 228.380 1.828 20 0 BDADRP [NH3+]Cc1ccccc1CO[C@@H]1CCC[NH2+]C1 ZINC001217859717 971452083 /nfs/dbraw/zinc/45/20/83/971452083.db2.gz GJAUHGGCWWBBDE-CYBMUJFWSA-N 2 0 220.316 1.414 20 0 BDADRP CN1CCC([N@H+](C)[C@H]2CCCSC2)CC1 ZINC001257667473 971466029 /nfs/dbraw/zinc/46/60/29/971466029.db2.gz DHWOSLKMDCVIPF-LBPRGKRZSA-N 2 0 228.405 1.908 20 0 BDADRP C1=C[C@H](OCCC[C@H]2CCC[NH2+]C2)C[NH2+]C1 ZINC001217883157 971479280 /nfs/dbraw/zinc/47/92/80/971479280.db2.gz QCGUKYRPICJOPQ-OLZOCXBDSA-N 2 0 224.348 1.311 20 0 BDADRP C[C@@H]1CC[C@H](OC[C@@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001217909657 971508861 /nfs/dbraw/zinc/50/88/61/971508861.db2.gz GUXAXMXKIGPVPI-UTUOFQBUSA-N 2 0 212.337 1.143 20 0 BDADRP [NH3+]CCCCCCCO[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]12 ZINC001217934926 971535213 /nfs/dbraw/zinc/53/52/13/971535213.db2.gz AQOIEWHOXPAGRC-MGPQQGTHSA-N 2 0 240.391 1.910 20 0 BDADRP CC1(C)C[C@@H](OCC2(C)CC[NH2+]CC2)CC[NH2+]1 ZINC001217937841 971539670 /nfs/dbraw/zinc/53/96/70/971539670.db2.gz NHVZLXYXHFZUOH-LBPRGKRZSA-N 2 0 240.391 1.923 20 0 BDADRP CC(C)C[NH+]1CCC([N@H+]2C[C@H](O)[C@@H](C)C2)CC1 ZINC001258012925 971553573 /nfs/dbraw/zinc/55/35/73/971553573.db2.gz ISWFPDWZEUTCTC-JSGCOSHPSA-N 2 0 240.391 1.419 20 0 BDADRP CC(C)C[NH+]1CCC(N(C)C[C@H](C)C[NH3+])CC1 ZINC001258005875 971551949 /nfs/dbraw/zinc/55/19/49/971551949.db2.gz XFRWBUYKLVIWQP-CYBMUJFWSA-N 2 0 241.423 1.633 20 0 BDADRP CC(C)C[NH+]1CCC([NH2+][C@H]2C[C@@H](O)C2)CC1 ZINC001258003007 971554717 /nfs/dbraw/zinc/55/47/17/971554717.db2.gz TWCOLYUDFWDCLN-BETUJISGSA-N 2 0 226.364 1.220 20 0 BDADRP CO[C@H]1CC[N@@H+](C2CC[NH+](CC(C)C)CC2)C1 ZINC001258012685 971555130 /nfs/dbraw/zinc/55/51/30/971555130.db2.gz FZMUTDHGMWYPPR-AWEZNQCLSA-N 2 0 240.391 1.828 20 0 BDADRP CC(C)C[NH+]1CCC([NH2+]C[C@H]2CCO2)CC1 ZINC001258002852 971555476 /nfs/dbraw/zinc/55/54/76/971555476.db2.gz JBFSBIVOUXUQKI-CYBMUJFWSA-N 2 0 226.364 1.485 20 0 BDADRP [NH3+]Cc1cccc(O[C@H]2C[NH2+]CCC[C@@H]2F)c1 ZINC001217982381 971558601 /nfs/dbraw/zinc/55/86/01/971558601.db2.gz SKPUNBIPCLSMRD-STQMWFEESA-N 2 0 238.306 1.614 20 0 BDADRP C[C@H]1C[NH2+]CCC[C@H]1Oc1ccc(CC[NH3+])cc1 ZINC001217989058 971562312 /nfs/dbraw/zinc/56/23/12/971562312.db2.gz RRXDXSKWWWRXSA-SWLSCSKDSA-N 2 0 248.370 1.955 20 0 BDADRP CC[C@@H](C(=O)NCC[NH2+]C(C)C)[NH+](CC)CC ZINC001133691016 971592394 /nfs/dbraw/zinc/59/23/94/971592394.db2.gz ZPPZPNDHLPBWQG-LBPRGKRZSA-N 2 0 243.395 1.221 20 0 BDADRP CC(C)[NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001133907860 971619070 /nfs/dbraw/zinc/61/90/70/971619070.db2.gz BAKRJZSUWUSUGD-UHFFFAOYSA-N 2 0 243.395 1.079 20 0 BDADRP c1cc(O[C@H]2CCC3(C[NH2+]C3)C2)cc2c1C[NH2+]C2 ZINC001218235943 971644816 /nfs/dbraw/zinc/64/48/16/971644816.db2.gz VLRHAHOYUUDSPY-AWEZNQCLSA-N 2 0 244.338 1.811 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@@H]1CCO1)C2 ZINC001172108176 974369461 /nfs/dbraw/zinc/36/94/61/974369461.db2.gz QZVKSYPGBUIWRZ-RNJOBUHISA-N 2 0 224.348 1.380 20 0 BDADRP COCC(C)(C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000309681070 971760188 /nfs/dbraw/zinc/76/01/88/971760188.db2.gz ZLFJUYPNKXRRAI-UHFFFAOYSA-N 2 0 228.380 1.874 20 0 BDADRP [NH3+]Cc1ccccc1O[C@@H]1C[NH2+]CCC12CC2 ZINC001218403758 971778400 /nfs/dbraw/zinc/77/84/00/971778400.db2.gz JVQRLUZORGYWON-CYBMUJFWSA-N 2 0 232.327 1.666 20 0 BDADRP C[C@@H]1CC[C@H](Oc2ccc3c(n2)CC[NH2+]C3)C[NH2+]1 ZINC001218401003 971775801 /nfs/dbraw/zinc/77/58/01/971775801.db2.gz GECJHXPELSSJBK-PWSUYJOCSA-N 2 0 247.342 1.247 20 0 BDADRP CC[C@H](C)OCC[C@H](C)[NH2+]CCOCC[NH3+] ZINC001172314535 974521978 /nfs/dbraw/zinc/52/19/78/974521978.db2.gz DMGHAHJUMCIXQH-RYUDHWBXSA-N 2 0 232.368 1.145 20 0 BDADRP CC(C)[C@H]1C[C@@H]([NH+]2CCC(C[NH3+])CC2)CC[NH2+]1 ZINC001246539506 972539312 /nfs/dbraw/zinc/53/93/12/972539312.db2.gz SBIZGIRWRNRKDB-UONOGXRCSA-N 3 0 239.407 1.434 20 0 BDADRP COCCCC[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222526754 972539636 /nfs/dbraw/zinc/53/96/36/972539636.db2.gz DXRHMOIZDNXEIB-UHFFFAOYSA-N 2 0 218.316 1.176 20 0 BDADRP [NH3+]CC1(F)CC[NH+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC001222527530 972540586 /nfs/dbraw/zinc/54/05/86/972540586.db2.gz NNODRWMQNNEROI-XQQFMLRXSA-N 2 0 238.350 1.961 20 0 BDADRP CC(C)([NH3+])C(C)(C)[NH2+][C@@H]1CCCOCC1 ZINC001170793366 971834456 /nfs/dbraw/zinc/83/44/56/971834456.db2.gz ZWISZCBKJGNHJC-SNVBAGLBSA-N 2 0 214.353 1.661 20 0 BDADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)Nc1ccc[nH]1 ZINC001218716314 971926143 /nfs/dbraw/zinc/92/61/43/971926143.db2.gz KWZRHYQAUWHPPE-JTQLQIEISA-N 2 0 238.335 1.012 20 0 BDADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)Nc1ccccc1 ZINC001218809820 971944655 /nfs/dbraw/zinc/94/46/55/971944655.db2.gz QSRNNQIVFRDTRO-ZDUSSCGKSA-N 2 0 249.358 1.684 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+]([C@H]3CCCOCC3)C2)C1 ZINC001170831583 971952070 /nfs/dbraw/zinc/95/20/70/971952070.db2.gz QLFMUMHWUTXLKM-KBPBESRZSA-N 2 0 238.375 1.583 20 0 BDADRP O=C(Nc1ccc([C@@H]2CC[NH2+]C2)cc1)[C@@H]1CC[NH2+]1 ZINC001218995113 971972093 /nfs/dbraw/zinc/97/20/93/971972093.db2.gz OYSWEFKTIPNBPU-YPMHNXCESA-N 2 0 245.326 1.064 20 0 BDADRP C[C@@H]([NH3+])C(=O)Nc1ccc(C2([NH3+])CCC2)cc1 ZINC001218973226 971970703 /nfs/dbraw/zinc/97/07/03/971970703.db2.gz XTIIINQFGIOKGT-SECBINFHSA-N 2 0 233.315 1.310 20 0 BDADRP Cc1cc(NCC[C@@H](C)[NH3+])nc2c1C[NH2+]CC2 ZINC001170887546 972036053 /nfs/dbraw/zinc/03/60/53/972036053.db2.gz XSQQQNGDSIXTHQ-SNVBAGLBSA-N 2 0 234.347 1.185 20 0 BDADRP C[C@@H]([NH3+])CCNc1ccc2c(c1)COC21C[NH2+]C1 ZINC001170893716 972048141 /nfs/dbraw/zinc/04/81/41/972048141.db2.gz DKIOANLWKAXNNB-SNVBAGLBSA-N 2 0 247.342 1.165 20 0 BDADRP Cc1ccc2ncc(N[C@@H]([NH3+])CCC[NH3+])nc2c1 ZINC001170897752 972054450 /nfs/dbraw/zinc/05/44/50/972054450.db2.gz JUSVUFACDMSWMB-GFCCVEGCSA-N 2 0 245.330 1.374 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1cc2cc(F)ccc2cn1 ZINC001170899533 972060626 /nfs/dbraw/zinc/06/06/26/972060626.db2.gz VPBNLFVCHWZNHA-GFCCVEGCSA-N 2 0 248.305 1.810 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1cc(F)cc2cc[nH]c21 ZINC001170900149 972063235 /nfs/dbraw/zinc/06/32/35/972063235.db2.gz PCPKBWPUBVSJGJ-LLVKDONJSA-N 2 0 236.294 1.743 20 0 BDADRP CCc1nc2cc(N[C@@H]([NH3+])CCC[NH3+])ccc2o1 ZINC001170900477 972064286 /nfs/dbraw/zinc/06/42/86/972064286.db2.gz USXPQQXAILJLHU-GFCCVEGCSA-N 2 0 248.330 1.826 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ccnc2c(F)cccc12 ZINC001170900423 972064970 /nfs/dbraw/zinc/06/49/70/972064970.db2.gz LBADDLNMQCBCTR-GFCCVEGCSA-N 2 0 248.305 1.810 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc(-c2ccno2)cc1 ZINC001170899735 972065044 /nfs/dbraw/zinc/06/50/44/972065044.db2.gz MBBSRCPVJQWVBL-ZDUSSCGKSA-N 2 0 246.314 1.777 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccnc2c(F)cccc12 ZINC001170900424 972065613 /nfs/dbraw/zinc/06/56/13/972065613.db2.gz LBADDLNMQCBCTR-LBPRGKRZSA-N 2 0 248.305 1.810 20 0 BDADRP COCc1ccc(N[C@H]([NH3+])CCC[NH3+])cc1 ZINC001170900996 972068969 /nfs/dbraw/zinc/06/89/69/972068969.db2.gz SRWFGMSNJYMIMX-LBPRGKRZSA-N 2 0 223.320 1.269 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccnc2ncccc12 ZINC001170902127 972074774 /nfs/dbraw/zinc/07/47/74/972074774.db2.gz BFSMQCWIAUKYLE-NSHDSACASA-N 2 0 231.303 1.065 20 0 BDADRP CO/C=C/c1ccc(N[C@@H]([NH3+])CCC[NH3+])cc1 ZINC001170902482 972077913 /nfs/dbraw/zinc/07/79/13/972077913.db2.gz DGYMKWPWBXTPKC-AORWBKJGSA-N 2 0 235.331 1.739 20 0 BDADRP CC1(C)COc2ccc(N[C@H]([NH3+])CCC[NH3+])cc21 ZINC001170903294 972075817 /nfs/dbraw/zinc/07/58/17/972075817.db2.gz IWWJXBSYQZCRMA-ZDUSSCGKSA-N 2 0 249.358 1.792 20 0 BDADRP CC(C)(C)c1ncncc1N[C@H]([NH3+])CCC[NH3+] ZINC001170905740 972080838 /nfs/dbraw/zinc/08/08/38/972080838.db2.gz VMURWOLEZJCIGH-JTQLQIEISA-N 2 0 237.351 1.210 20 0 BDADRP Cn1ccc2c1[nH+]ccc2N[C@@H]([NH3+])CCC[NH3+] ZINC001170906530 972083003 /nfs/dbraw/zinc/08/30/03/972083003.db2.gz WYUOGXJHNVNFPZ-LLVKDONJSA-N 3 0 233.319 1.009 20 0 BDADRP COc1cc(Cl)ncc1N[C@H]([NH3+])CCC[NH3+] ZINC001159786037 972111829 /nfs/dbraw/zinc/11/18/29/972111829.db2.gz VONFLTDFNLFVQP-JTQLQIEISA-N 2 0 244.726 1.179 20 0 BDADRP CCc1c(Cl)ncnc1N[C@H]([NH3+])CCC[NH3+] ZINC001159787625 972115116 /nfs/dbraw/zinc/11/51/16/972115116.db2.gz AGHBLXXSKGGOOV-QMMMGPOBSA-N 2 0 243.742 1.128 20 0 BDADRP CCCC[C@H](O)C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246016290 972115634 /nfs/dbraw/zinc/11/56/34/972115634.db2.gz KAZHHWHGPDLMOC-TUAOUCFPSA-N 2 0 214.353 1.064 20 0 BDADRP CC[C@@H]1C[C@H](N[C@H](C[NH3+])c2ccccc2)CC[NH2+]1 ZINC001246076400 972132644 /nfs/dbraw/zinc/13/26/44/972132644.db2.gz NQOFNBQCJHKAGR-RBSFLKMASA-N 2 0 247.386 1.807 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CCN(C)CC[NH3+])C[C@H]1C ZINC001172364788 974640127 /nfs/dbraw/zinc/64/01/27/974640127.db2.gz AYNSMURTLGTCGF-UPJWGTAASA-N 2 0 227.396 1.291 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]C[C@H]2C[NH2+]C[C@@H](C)C2)CCO1 ZINC001246096056 972148851 /nfs/dbraw/zinc/14/88/51/972148851.db2.gz CVCPPVOONPNCKZ-REWJHTLYSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H]1CC[C@H](CNC2C[C@@H]3C=C[C@H](C2)[NH2+]3)C[NH2+]1 ZINC001246097532 972152434 /nfs/dbraw/zinc/15/24/34/972152434.db2.gz ORNCNGANRGCPNX-ZBBUEOHVSA-N 2 0 235.375 1.023 20 0 BDADRP CC(C)([NH3+])CN[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246098093 972153268 /nfs/dbraw/zinc/15/32/68/972153268.db2.gz ADBBHTOAKGLICJ-GFCCVEGCSA-N 2 0 239.407 1.768 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+]C[C@H]2C)CC[NH2+]1 ZINC001246100620 972154491 /nfs/dbraw/zinc/15/44/91/972154491.db2.gz XIRUNHLXYPCARY-SYQHCUMBSA-N 3 0 239.407 1.352 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C[C@H]2C)CC[NH2+]1 ZINC001246100364 972154803 /nfs/dbraw/zinc/15/48/03/972154803.db2.gz XIRUNHLXYPCARY-MQYQWHSLSA-N 3 0 239.407 1.352 20 0 BDADRP C[C@@H]1C[C@H](n2c(C[NH3+])nc3ccccc32)CC[NH2+]1 ZINC001246099909 972156511 /nfs/dbraw/zinc/15/65/11/972156511.db2.gz ZBROMZMDWUNOPK-GHMZBOCLSA-N 2 0 244.342 1.808 20 0 BDADRP CN(CCC[NH+](C)C)C(=O)c1cccc(C[NH3+])c1 ZINC000111130131 972157865 /nfs/dbraw/zinc/15/78/65/972157865.db2.gz UAQVHQVIXJOEQV-UHFFFAOYSA-N 2 0 249.358 1.169 20 0 BDADRP CC[C@@H](C)NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001220112896 972158433 /nfs/dbraw/zinc/15/84/33/972158433.db2.gz DIAVMUGLQQJGMP-NEPJUHHUSA-N 2 0 243.395 1.397 20 0 BDADRP C[C@@H]1C[C@H](N[C@]2(C)CCC[NH2+]CC2)CC[NH2+]1 ZINC001246102053 972160864 /nfs/dbraw/zinc/16/08/64/972160864.db2.gz QSIVZQNREIEBCY-JHJVBQTASA-N 2 0 225.380 1.249 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1CNC1C[C@@H]2C=C[C@H](C1)[NH2+]2 ZINC001246106162 972172554 /nfs/dbraw/zinc/17/25/54/972172554.db2.gz DLHWLGKFPIGSEG-CSHRUCKSSA-N 2 0 235.375 1.023 20 0 BDADRP C[C@@H]1CC(NC[C@H]2CCC[NH2+][C@@H]2C)C[C@@H](C)[NH2+]1 ZINC001246116051 972180827 /nfs/dbraw/zinc/18/08/27/972180827.db2.gz ULSVEWNHRQOSJC-FDYHWXHSSA-N 2 0 239.407 1.493 20 0 BDADRP C1CC12C[NH2+]C[C@@H]2[NH2+][C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246131371 972187137 /nfs/dbraw/zinc/18/71/37/972187137.db2.gz JNRLLFPVMWIBPQ-IHRRRGAJSA-N 3 0 249.402 1.250 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCc2cccc(O)c2)CC[NH2+]1 ZINC001246156669 972198376 /nfs/dbraw/zinc/19/83/76/972198376.db2.gz BDYCQGXEHVQLPC-WCQYABFASA-N 2 0 234.343 1.665 20 0 BDADRP COC(=O)C1(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)CCC1 ZINC001246179715 972207141 /nfs/dbraw/zinc/20/71/41/972207141.db2.gz FFXBZYCOBOTTSG-WDEREUQCSA-N 2 0 240.347 1.060 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]C2CC3(C2)CC[NH2+]CC3)CN1 ZINC001246176551 972207789 /nfs/dbraw/zinc/20/77/89/972207789.db2.gz LOWOKOHOHNQILP-VXGBXAGGSA-N 3 0 237.391 1.249 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C2CC3(C2)CC[NH2+]CC3)CN1 ZINC001246176543 972208562 /nfs/dbraw/zinc/20/85/62/972208562.db2.gz LOWOKOHOHNQILP-NEPJUHHUSA-N 3 0 237.391 1.249 20 0 BDADRP C[C@@H]1CC[C@H](Nc2cccc(C[NH3+])c2)C[NH2+]1 ZINC001246179392 972208687 /nfs/dbraw/zinc/20/86/87/972208687.db2.gz PWKJOWFEQDKHCO-MFKMUULPSA-N 2 0 219.332 1.698 20 0 BDADRP C[C@H]1C[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC[NH2+]1 ZINC001246185127 972210760 /nfs/dbraw/zinc/21/07/60/972210760.db2.gz RUJBKDBDXUGXMK-YHQUGGNUSA-N 2 0 237.391 1.342 20 0 BDADRP CCCC[C@@H]1C[C@H](NC[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC001246187220 972213442 /nfs/dbraw/zinc/21/34/42/972213442.db2.gz MQMKGKSHLDHIQY-MGPQQGTHSA-N 2 0 239.407 1.639 20 0 BDADRP CC[C@@H]1C[C@@H](N[C@H]2C[C@@H]([NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246192059 972214944 /nfs/dbraw/zinc/21/49/44/972214944.db2.gz YLAXBZSCVQTTQP-VFDFPUOBSA-N 2 0 225.380 1.375 20 0 BDADRP CC[C@@H]1CC(NC[C@H]2CC[NH2+]2)C[C@@H](CC)[NH2+]1 ZINC001246192598 972216037 /nfs/dbraw/zinc/21/60/37/972216037.db2.gz IJIUAOXSBYWBPI-IJLUTSLNSA-N 2 0 225.380 1.247 20 0 BDADRP CCCC[C@H]1C[C@H]([NH2+]CCCC[NH2+]C)CC[NH2+]1 ZINC001246206104 972216753 /nfs/dbraw/zinc/21/67/53/972216753.db2.gz XMJGENXVFCTZSI-UONOGXRCSA-N 3 0 241.423 1.886 20 0 BDADRP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)CO1 ZINC000396511151 956898555 /nfs/dbraw/zinc/89/85/55/956898555.db2.gz XMPJXJIZPQHECS-GHMZBOCLSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H](CCCC(C)(C)O)[NH2+]C1CC[NH2+]CC1 ZINC001246229019 972233553 /nfs/dbraw/zinc/23/35/53/972233553.db2.gz HWXSLQDELSQOEZ-NSHDSACASA-N 2 0 228.380 1.658 20 0 BDADRP C[C@@H]1C[C@H](n2cnc3ccc(C[NH3+])cc32)CC[NH2+]1 ZINC001246231939 972236997 /nfs/dbraw/zinc/23/69/97/972236997.db2.gz VIUDJHJPVZRUFT-ZYHUDNBSSA-N 2 0 244.342 1.808 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH+]2CC[C@]3(CCCO3)C2)C1 ZINC001208606139 957090565 /nfs/dbraw/zinc/09/05/65/957090565.db2.gz FHDNNRJBDIHTGE-ZIAGYGMSSA-N 2 0 238.375 1.583 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH+]2CC3(C2)CCOCC3)C1 ZINC001208606368 957094349 /nfs/dbraw/zinc/09/43/49/957094349.db2.gz FFMLASOYGWJNRG-ZDUSSCGKSA-N 2 0 238.375 1.441 20 0 BDADRP Cc1cnccc1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC000705340079 957135284 /nfs/dbraw/zinc/13/52/84/957135284.db2.gz AZDDQKBFJRVUHZ-CYBMUJFWSA-N 2 0 219.332 1.703 20 0 BDADRP CC[N@H+](CCCCOC)CCC[NH+](C)C ZINC001209220209 957365671 /nfs/dbraw/zinc/36/56/71/957365671.db2.gz PVKVHRLYZDPTKH-UHFFFAOYSA-N 2 0 216.369 1.687 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CNc3ccccc3C2)CC[NH2+]1 ZINC001246306706 972266759 /nfs/dbraw/zinc/26/67/59/972266759.db2.gz XRWUOOZIBSGTBX-KWCYVHTRSA-N 2 0 245.370 1.753 20 0 BDADRP CCOC(=O)C(C)(C)C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC001246313504 972274661 /nfs/dbraw/zinc/27/46/61/972274661.db2.gz FEPFZYMIJSVRSD-GHMZBOCLSA-N 2 0 242.363 1.306 20 0 BDADRP Cc1cccc(C[NH+]2CCC(C[NH3+])CC2)n1 ZINC000086136200 957565044 /nfs/dbraw/zinc/56/50/44/957565044.db2.gz WKTUBDBQBQIWAO-UHFFFAOYSA-N 2 0 219.332 1.561 20 0 BDADRP CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]C[C@H]([NH3+])CC)C1 ZINC001246313762 972275491 /nfs/dbraw/zinc/27/54/91/972275491.db2.gz KZSVXMXGARPNDS-IJLUTSLNSA-N 2 0 242.363 1.435 20 0 BDADRP C[N@@H+]1CC[C@H](Nc2ccc([C@@H]3CCC[NH2+]3)cn2)C1 ZINC001167270216 957610811 /nfs/dbraw/zinc/61/08/11/957610811.db2.gz NYCPWBWHDOFHHS-STQMWFEESA-N 2 0 246.358 1.622 20 0 BDADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N[C@H]1CC=CCC1 ZINC001221019096 972293013 /nfs/dbraw/zinc/29/30/13/972293013.db2.gz OSEGVZQZCACUBR-RYUDHWBXSA-N 2 0 239.363 1.058 20 0 BDADRP C[C@H]1CC[C@@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[NH2+]1 ZINC001246331195 972293717 /nfs/dbraw/zinc/29/37/17/972293717.db2.gz JANLFPPSTIXRTD-ODXJTPSBSA-N 2 0 237.391 1.390 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)C1CC[NH2+]CC1 ZINC000400344489 957846593 /nfs/dbraw/zinc/84/65/93/957846593.db2.gz GSKOGOUXPFHZBL-MNOVXSKESA-N 2 0 236.363 1.459 20 0 BDADRP C[C@H]1C[C@H](N[C@H]2CC[N@@H+](C3CCC3)C2)CC[NH2+]1 ZINC001246359344 972302805 /nfs/dbraw/zinc/30/28/05/972302805.db2.gz AWXVCTOLXNIVDW-XQQFMLRXSA-N 2 0 237.391 1.343 20 0 BDADRP Cc1cccc2c1CC[C@@H]([NH2+][C@@H]1CC13C[NH2+]C3)C2 ZINC001246443106 972316073 /nfs/dbraw/zinc/31/60/73/972316073.db2.gz FTAWLQSUEJKCQT-UKRRQHHQSA-N 2 0 242.366 1.804 20 0 BDADRP C[C@@H]1CC([NH2+]CCCNCCC[NH3+])C[C@@H](C)C1 ZINC001246452699 972322762 /nfs/dbraw/zinc/32/27/62/972322762.db2.gz LVWXDUIYCQPUSD-STQMWFEESA-N 2 0 241.423 1.729 20 0 BDADRP CC[C@@H]1C[C@@H](N[C@]2(CC)CC[NH2+]C2)CC[NH2+]1 ZINC001246459415 972331289 /nfs/dbraw/zinc/33/12/89/972331289.db2.gz KAFFFUMPWFAFQO-FRRDWIJNSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@@H]1C[C@@H](N[C@]2(C)CCC[N@H+](C)C2)CC[NH2+]1 ZINC001246461947 972337044 /nfs/dbraw/zinc/33/70/44/972337044.db2.gz QNHICDIDRGYEMA-FRRDWIJNSA-N 2 0 225.380 1.201 20 0 BDADRP CC(C)[NH+](CCN[C@H]1CC[C@H](C)[NH2+]C1)C(C)C ZINC000399020170 958480192 /nfs/dbraw/zinc/48/01/92/958480192.db2.gz DUXCGTVSYLMRRZ-KBPBESRZSA-N 2 0 241.423 1.835 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C2CC3(C2)CCC[NH2+]C3)CC[NH2+]1 ZINC001246494111 972354591 /nfs/dbraw/zinc/35/45/91/972354591.db2.gz HJNSJLOKCBAMGR-MRFVTOPCSA-N 3 0 237.391 1.249 20 0 BDADRP C([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)[C@]12C[C@H]1CCC2 ZINC000693521866 958657929 /nfs/dbraw/zinc/65/79/29/958657929.db2.gz KVLXUHKWYHOAJE-RBAROFTJSA-N 2 0 232.371 1.763 20 0 BDADRP CC(C)C[C@@H](C[NH3+])N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246504738 972366916 /nfs/dbraw/zinc/36/69/16/972366916.db2.gz SFPFZBIENINREH-TUAOUCFPSA-N 2 0 213.369 1.090 20 0 BDADRP Cc1ncc(C[N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)s1 ZINC000693544523 958752223 /nfs/dbraw/zinc/75/22/23/958752223.db2.gz MABOZIVBYOSVIL-AOOOYVTPSA-N 2 0 225.361 1.621 20 0 BDADRP C[NH2+]CCN(C)[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246522950 972376325 /nfs/dbraw/zinc/37/63/25/972376325.db2.gz KIYCOXDIBGGCQD-HUUCEWRRSA-N 2 0 247.386 1.631 20 0 BDADRP C[N@@H+](Cc1ccccn1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693564018 958814212 /nfs/dbraw/zinc/81/42/12/958814212.db2.gz YJPWADIANSIPFP-PHIMTYICSA-N 2 0 205.305 1.251 20 0 BDADRP C[C@@H]1C[N@H+](CC(C)(C)C[NH+](C)C)CCC[C@H]1O ZINC001207276496 958848833 /nfs/dbraw/zinc/84/88/33/958848833.db2.gz YJMIXRRQYGOVLD-CHWSQXEVSA-N 2 0 242.407 1.667 20 0 BDADRP C[C@@H]1CC[N@H+](CC(C)(C)C[NH+](C)C)C[C@@H]1O ZINC001207278902 958865231 /nfs/dbraw/zinc/86/52/31/958865231.db2.gz GLKAWVZEUJLKLC-NEPJUHHUSA-N 2 0 228.380 1.277 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](Cc2nccs2)C1 ZINC000690741292 958953549 /nfs/dbraw/zinc/95/35/49/958953549.db2.gz USVGJOXKJKUXGH-VIFPVBQESA-N 2 0 211.334 1.314 20 0 BDADRP [NH3+]Cc1cccn1-c1ccc(C2([NH3+])CC2)cc1 ZINC001167592696 958983868 /nfs/dbraw/zinc/98/38/68/958983868.db2.gz BGRMVBVLFCHKDV-UHFFFAOYSA-N 2 0 227.311 1.884 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222232005 972411672 /nfs/dbraw/zinc/41/16/72/972411672.db2.gz SANOKWPXRGLPJY-AWEZNQCLSA-N 2 0 237.391 1.204 20 0 BDADRP C[C@@H]1CCC[N@H+](C[C@@H]2CCCOC2)[C@H]1CC[NH3+] ZINC000404412735 959252345 /nfs/dbraw/zinc/25/23/45/959252345.db2.gz DTONKUZPQQVSSN-RDBSUJKOSA-N 2 0 240.391 1.862 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000405197027 959411315 /nfs/dbraw/zinc/41/13/15/959411315.db2.gz AVQJWEHGYCHLFU-STQMWFEESA-N 3 0 237.391 1.188 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000693880238 959459353 /nfs/dbraw/zinc/45/93/53/959459353.db2.gz WABPEDCATMTWRP-RWMBFGLXSA-N 2 0 239.407 1.589 20 0 BDADRP C[C@H]1[C@H](C)OC[C@H]1[NH2+]CCCC[NH+](C)C ZINC000405566573 959460622 /nfs/dbraw/zinc/46/06/22/959460622.db2.gz FJBXFCBRXDYLKS-SDDRHHMPSA-N 2 0 214.353 1.341 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@H]2CO[C@@H](C)[C@@H]2C)CC1 ZINC000405683027 959486664 /nfs/dbraw/zinc/48/66/64/959486664.db2.gz VGLOWSQEUVDODV-OBJOEFQTSA-N 2 0 240.391 1.872 20 0 BDADRP [NH3+]C[C@@H]1C[N@H+](C[C@H]2CCCOC2)CCC1(F)F ZINC000708501076 959525666 /nfs/dbraw/zinc/52/56/66/959525666.db2.gz AWODCCGLOKSNFO-GHMZBOCLSA-N 2 0 248.317 1.329 20 0 BDADRP OCCCC[N@@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222308677 972437970 /nfs/dbraw/zinc/43/79/70/972437970.db2.gz LEYOTVSTURRYQE-CYBMUJFWSA-N 2 0 226.364 1.367 20 0 BDADRP C[NH2+][C@H]1C[C@@H](OCc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001217765020 959581769 /nfs/dbraw/zinc/58/17/69/959581769.db2.gz USFANXQJXMHFHJ-GASCZTMLSA-N 2 0 246.354 1.599 20 0 BDADRP C(O[C@H]1CCC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC001217775904 959585524 /nfs/dbraw/zinc/58/55/24/959585524.db2.gz CGYYQBYHIBCWDZ-RYUDHWBXSA-N 2 0 212.337 1.145 20 0 BDADRP C[C@@H]1C[NH2+]CCC[C@H]1OCC[C@H]1CCC[NH2+]C1 ZINC001217776077 959585582 /nfs/dbraw/zinc/58/55/82/959585582.db2.gz FHXXAHJJRKQGML-MGPQQGTHSA-N 2 0 240.391 1.781 20 0 BDADRP F[C@H]1C[NH2+]C[C@H]1OCCC[C@H]1CCC[NH2+]C1 ZINC001217779514 959592009 /nfs/dbraw/zinc/59/20/09/959592009.db2.gz XNUPVOVZOIHYOA-GRYCIOLGSA-N 2 0 230.327 1.093 20 0 BDADRP C(O[C@@H]1CCC[C@@]12CC[NH2+]C2)[C@@H]1CCC[NH2+]1 ZINC001217799484 959609962 /nfs/dbraw/zinc/60/99/62/959609962.db2.gz DZNIFFNJTMEWGZ-XQQFMLRXSA-N 2 0 224.348 1.287 20 0 BDADRP [NH3+]Cc1ccccc1CO[C@H]1[C@@H]2CC[C@H]1[NH2+]C2 ZINC001217924681 959772644 /nfs/dbraw/zinc/77/26/44/959772644.db2.gz KTZIMZSBLCCMEV-BNOWGMLFSA-N 2 0 232.327 1.412 20 0 BDADRP F[C@H]1C[NH2+]CC[C@H]1Oc1ccc2c(c1)C[NH2+]C2 ZINC001218065063 959851141 /nfs/dbraw/zinc/85/11/41/959851141.db2.gz CRBQLRIFIIFZMR-QWHCGFSZSA-N 2 0 236.290 1.369 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1Oc1ccc(CC[NH3+])cc1 ZINC001218420530 960080837 /nfs/dbraw/zinc/08/08/37/960080837.db2.gz TYFLQJBUVZPVEG-RISCZKNCSA-N 2 0 234.343 1.565 20 0 BDADRP F[C@@H]1CCCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC001207436297 960082475 /nfs/dbraw/zinc/08/24/75/960082475.db2.gz BEAHPTLMNUCEFT-GFCCVEGCSA-N 2 0 214.328 1.810 20 0 BDADRP C[C@H]1C[C@@H](CF)[N@H+](CC2CC[NH2+]CC2)C1 ZINC001207436348 960086214 /nfs/dbraw/zinc/08/62/14/960086214.db2.gz GLEFMPQPYOQERH-JQWIXIFHSA-N 2 0 214.328 1.666 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001207436831 960089812 /nfs/dbraw/zinc/08/98/12/960089812.db2.gz RRJMSXAQPGNZFT-ZIAGYGMSSA-N 2 0 238.375 1.487 20 0 BDADRP C[NH2+]CCNc1ccc([C@@H]2CCC[NH2+]2)cn1 ZINC001167721997 960209502 /nfs/dbraw/zinc/20/95/02/960209502.db2.gz WGPBZBIDTVAZEV-NSHDSACASA-N 2 0 220.320 1.137 20 0 BDADRP C[NH+]1CCC(CC[N@@H+]2CCCOCC2)CC1 ZINC001207479714 960352067 /nfs/dbraw/zinc/35/20/67/960352067.db2.gz LMQJJOAHBIATIO-UHFFFAOYSA-N 2 0 226.364 1.441 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@H]1COC(C)(C)O1 ZINC000695837510 960500358 /nfs/dbraw/zinc/50/03/58/960500358.db2.gz YCGGAXRBIBHUFB-QWRGUYRKSA-N 2 0 230.352 1.068 20 0 BDADRP CC(C)[NH+](CCN[C@@H]1CC[NH2+][C@H](C)C1)C(C)C ZINC000709357187 960530189 /nfs/dbraw/zinc/53/01/89/960530189.db2.gz VCHLZCFRVHTXPS-ZIAGYGMSSA-N 2 0 241.423 1.835 20 0 BDADRP C[C@H]1CN([C@@H]2CC[NH2+]C3(CCC3)C2)C[C@H]1C[NH3+] ZINC001246538314 972513860 /nfs/dbraw/zinc/51/38/60/972513860.db2.gz AXAUTDSLKZZIGE-YNEHKIRRSA-N 2 0 237.391 1.188 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709487805 960618909 /nfs/dbraw/zinc/61/89/09/960618909.db2.gz CNGKADBKLQUOKH-SYCZCVCYSA-N 2 0 237.391 1.199 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](OC2CC[NH+](C)CC2)C1 ZINC001222504423 972526989 /nfs/dbraw/zinc/52/69/89/972526989.db2.gz UCGSTKRMASOCKM-CYBMUJFWSA-N 2 0 226.364 1.580 20 0 BDADRP [NH3+]CC1(F)CC[NH+](C[C@H]2CCCOC2)CC1 ZINC001222528515 972532281 /nfs/dbraw/zinc/53/22/81/972532281.db2.gz XACIUWFWQUXLBI-LLVKDONJSA-N 2 0 230.327 1.176 20 0 BDADRP [NH3+][C@@H]1C[C@@H](N[C@H]2CC[NH2+]C23CCC3)C12CCC2 ZINC000925721710 960793678 /nfs/dbraw/zinc/79/36/78/960793678.db2.gz DPYUGDHMOAVFGM-GRYCIOLGSA-N 2 0 235.375 1.131 20 0 BDADRP C[C@@H]1C[C@@H](N(C)C[C@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000300055162 961005729 /nfs/dbraw/zinc/00/57/29/961005729.db2.gz GVIKJUQCPQAIRC-UPJWGTAASA-N 2 0 225.380 1.153 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001167838692 961222906 /nfs/dbraw/zinc/22/29/06/961222906.db2.gz WANQSQSABXGTAF-MCIONIFRSA-N 2 0 240.391 1.970 20 0 BDADRP C[NH+](C)CC(C)(C)C[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167901293 961615900 /nfs/dbraw/zinc/61/59/00/961615900.db2.gz FARMGFSSVWMJSU-GDNZZTSVSA-N 2 0 210.365 1.962 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=N)SCC[NH3+])cn1 ZINC001167915014 961839738 /nfs/dbraw/zinc/83/97/38/961839738.db2.gz DGUZUVIQNWXTMT-ZETCQYMHSA-N 2 0 239.348 1.140 20 0 BDADRP C[C@]1(C[N@@H+]2CC[C@@H](c3ccccn3)C2)CC[NH2+]C1 ZINC000843115642 961873128 /nfs/dbraw/zinc/87/31/28/961873128.db2.gz MZJNLTBFMPNAGE-HIFRSBDPSA-N 2 0 245.370 1.871 20 0 BDADRP C[C@@]1([NH3+])CCCN(C[C@@H]([NH3+])c2ccccc2)C1 ZINC001204937489 962077668 /nfs/dbraw/zinc/07/76/68/962077668.db2.gz CTCIPRAQXACBEE-ZIAGYGMSSA-N 2 0 233.359 1.500 20 0 BDADRP C[NH+](C)CC1CC[NH+](Cc2ccc(O)cn2)CC1 ZINC000132793782 962492094 /nfs/dbraw/zinc/49/20/94/962492094.db2.gz UYTOZBPAFQVKNC-UHFFFAOYSA-N 2 0 249.358 1.561 20 0 BDADRP CC[N@H+]1C[C@@H]2C[NH+]([C@H]3C[C@H]4C[C@H]4C3)C[C@@H]2C1 ZINC001167947632 962563448 /nfs/dbraw/zinc/56/34/48/962563448.db2.gz CLJIDUJPFPMJKL-KCLGILNXSA-N 2 0 220.360 1.668 20 0 BDADRP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+]([C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC001167956394 962808231 /nfs/dbraw/zinc/80/82/31/962808231.db2.gz PIUJYILRBIJBPO-XVIXHAIJSA-N 2 0 220.360 1.668 20 0 BDADRP Cc1c[nH+]c(N[C@@H]2CCC[C@@H]([NH3+])C2)c(N)c1 ZINC001154987784 962931876 /nfs/dbraw/zinc/93/18/76/962931876.db2.gz OBMSYSNKOIHWIT-NXEZZACHSA-N 2 0 220.320 1.654 20 0 BDADRP Cc1cnc(N[C@H]2C[NH+]3CCC2CC3)c(C[NH3+])c1 ZINC001155667494 963150527 /nfs/dbraw/zinc/15/05/27/963150527.db2.gz HDVHVPOMEQPECL-ZDUSSCGKSA-N 2 0 246.358 1.355 20 0 BDADRP C[N@@H+]1CCC[C@@H]2CN(c3cc(N)cc[nH+]3)C[C@@H]21 ZINC001157262354 963565769 /nfs/dbraw/zinc/56/57/69/963565769.db2.gz VHFZGEKNQSZMLU-PWSUYJOCSA-N 2 0 232.331 1.194 20 0 BDADRP Cc1c[nH+]c(N2C[C@H]3[C@H](C2)CCC[N@H+]3C)cc1N ZINC001157272121 963567147 /nfs/dbraw/zinc/56/71/47/963567147.db2.gz LAMFQBBSMDDHFZ-AAEUAGOBSA-N 2 0 246.358 1.503 20 0 BDADRP Cc1c[nH+]c(-n2ccc3c2CC[NH2+]C3)cc1N ZINC001157449731 963610042 /nfs/dbraw/zinc/61/00/42/963610042.db2.gz XDUHDJPFAVLFCX-UHFFFAOYSA-N 2 0 228.299 1.409 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCO1 ZINC001168076653 963617972 /nfs/dbraw/zinc/61/79/72/963617972.db2.gz ZBTCGFHPWPIASL-XHJNMGKDSA-N 2 0 238.375 1.769 20 0 BDADRP c1cc(N2CCCC2)cc(N2C[C@@H]3C[NH2+][C@@H]3C2)[nH+]1 ZINC001157623348 963684856 /nfs/dbraw/zinc/68/48/56/963684856.db2.gz KLFJXNXVBPWUPZ-WCQYABFASA-N 2 0 244.342 1.090 20 0 BDADRP C([C@H]1CCCC[NH2+]C1)N1CC[NH+](C2CC2)CC1 ZINC000697063453 963685190 /nfs/dbraw/zinc/68/51/90/963685190.db2.gz KYNHCFWWAPBYHV-ZDUSSCGKSA-N 2 0 237.391 1.156 20 0 BDADRP COC[C@H]1CCC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000697089175 963719968 /nfs/dbraw/zinc/71/99/68/963719968.db2.gz VCAWIBLSFDXSGE-KGLIPLIRSA-N 2 0 240.391 1.735 20 0 BDADRP COC[C@@H]1CCC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000697089177 963720405 /nfs/dbraw/zinc/72/04/05/963720405.db2.gz VCAWIBLSFDXSGE-UONOGXRCSA-N 2 0 240.391 1.735 20 0 BDADRP Cc1ccc(N2CC[C@](F)(C[NH3+])C2)[nH+]c1C ZINC001157813372 963734403 /nfs/dbraw/zinc/73/44/03/963734403.db2.gz RYACOSHKADBFGS-LBPRGKRZSA-N 2 0 223.295 1.576 20 0 BDADRP Cc1cnc(N2C[C@H](C)[NH2+][C@@H](C)C2)c(C[NH3+])c1 ZINC001158180732 963822767 /nfs/dbraw/zinc/82/27/67/963822767.db2.gz YZPIOUKXEYFADD-QWRGUYRKSA-N 2 0 234.347 1.035 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)CCO1 ZINC001168138561 963840129 /nfs/dbraw/zinc/84/01/29/963840129.db2.gz AGCLPAVFCHFLSG-AAVRWANBSA-N 2 0 238.375 1.437 20 0 BDADRP CC1(Nc2ccccc2CC[NH3+])CC[NH2+]CC1 ZINC001168188421 963949382 /nfs/dbraw/zinc/94/93/82/963949382.db2.gz VJRWSVGTDMPZHO-UHFFFAOYSA-N 2 0 233.359 1.742 20 0 BDADRP Cc1c[nH+]c(N2CC3(C2)CCC[NH2+]C3)cc1C ZINC001159025176 963975965 /nfs/dbraw/zinc/97/59/65/963975965.db2.gz LPZAZHGLAQAHFN-UHFFFAOYSA-N 2 0 231.343 1.888 20 0 BDADRP CC1CCC([NH2+]CCC[N@H+](C)CCO)CC1 ZINC001168209290 963983745 /nfs/dbraw/zinc/98/37/45/963983745.db2.gz QCYNTLWNPCFIEE-UHFFFAOYSA-N 2 0 228.380 1.469 20 0 BDADRP Cc1cc2[nH+]ccn2cc1N[C@H]1C[NH2+]CC[C@H]1F ZINC001168226392 964005429 /nfs/dbraw/zinc/00/54/29/964005429.db2.gz HFSBEZFXYYCNMA-MNOVXSKESA-N 2 0 248.305 1.755 20 0 BDADRP Cc1nccc(-n2cc(C[NH3+])cn2)c1F ZINC001168258780 964076759 /nfs/dbraw/zinc/07/67/59/964076759.db2.gz ANLGDMWICPTTQK-UHFFFAOYSA-N 2 0 206.224 1.174 20 0 BDADRP [NH3+]Cc1cnn(-c2ccc(C3([NH3+])CC3)cc2)c1 ZINC001168262393 964092372 /nfs/dbraw/zinc/09/23/72/964092372.db2.gz RSTYSDUQEVODML-UHFFFAOYSA-N 2 0 228.299 1.279 20 0 BDADRP c1cc(NC2=C[NH2+]CCC2)cc2c1C[NH2+]C2 ZINC001159472946 964106299 /nfs/dbraw/zinc/10/62/99/964106299.db2.gz YASVVEATGQGDFY-UHFFFAOYSA-N 2 0 215.300 1.927 20 0 BDADRP c1cc2c(c(NC3=C[NH2+]CCC3)c1)CC[NH2+]C2 ZINC001159547540 964122196 /nfs/dbraw/zinc/12/21/96/964122196.db2.gz DVYSVDULTQQYQM-UHFFFAOYSA-N 2 0 229.327 1.969 20 0 BDADRP [NH3+]CCc1cccc(NC2=CCC[NH2+]CC2)c1 ZINC001159672521 964145606 /nfs/dbraw/zinc/14/56/06/964145606.db2.gz YBBCHISKLQXGEA-UHFFFAOYSA-N 2 0 231.343 1.867 20 0 BDADRP [NH3+]CCOc1ccc(NC2=C[NH2+]CCC2)cc1 ZINC001159690998 964155575 /nfs/dbraw/zinc/15/55/75/964155575.db2.gz XNKJOUCQIYNEBJ-UHFFFAOYSA-N 2 0 233.315 1.661 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc2ccccc2n1 ZINC001159778921 964190073 /nfs/dbraw/zinc/19/00/73/964190073.db2.gz BTYJXKJQFQYJMG-LBPRGKRZSA-N 2 0 230.315 1.670 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ncnc2c(F)cccc12 ZINC001159783640 964194935 /nfs/dbraw/zinc/19/49/35/964194935.db2.gz FEAWSDVIOPKSFH-JTQLQIEISA-N 2 0 249.293 1.205 20 0 BDADRP Cc1nc(N[C@@H]([NH3+])CCC[NH3+])nc2ccccc12 ZINC001159783956 964195130 /nfs/dbraw/zinc/19/51/30/964195130.db2.gz FHVNCMJAGKLJTH-GFCCVEGCSA-N 2 0 245.330 1.374 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1cnc2ccccc2n1 ZINC001159780197 964195401 /nfs/dbraw/zinc/19/54/01/964195401.db2.gz UFFAPJCODDLHDZ-LLVKDONJSA-N 2 0 231.303 1.065 20 0 BDADRP COc1nc(N[C@H]([NH3+])CCC[NH3+])ccc1Cl ZINC001159786689 964199088 /nfs/dbraw/zinc/19/90/88/964199088.db2.gz HKICZSKXGIGMOX-QMMMGPOBSA-N 2 0 244.726 1.179 20 0 BDADRP Nc1cc[nH+]c(NC[C@H]2CCCC[NH2+]2)c1 ZINC001160145870 964257431 /nfs/dbraw/zinc/25/74/31/964257431.db2.gz WRNUMMSPJDVEAW-SNVBAGLBSA-N 2 0 206.293 1.218 20 0 BDADRP CC(=O)C(C)(C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168290377 964385034 /nfs/dbraw/zinc/38/50/34/964385034.db2.gz IOCNCPCERXLBIK-UHFFFAOYSA-N 2 0 226.364 1.816 20 0 BDADRP C[NH+](C)C1CCC(n2ccc(C[NH3+])n2)CC1 ZINC001168294912 964389344 /nfs/dbraw/zinc/38/93/44/964389344.db2.gz GOVXGVSUMOBDHA-UHFFFAOYSA-N 2 0 222.336 1.387 20 0 BDADRP C[NH+](C)C1CCC(n2ccc(C[NH3+])cc2=N)CC1 ZINC001168297525 964390718 /nfs/dbraw/zinc/39/07/18/964390718.db2.gz AVEHKYYVQWDECB-UHFFFAOYSA-N 2 0 248.374 1.472 20 0 BDADRP CCCC[C@H](CO)[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168297901 964391698 /nfs/dbraw/zinc/39/16/98/964391698.db2.gz MYJYCSUHALUSHG-ROKHWSDSSA-N 2 0 242.407 2.000 20 0 BDADRP CCC(=O)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168303986 964399600 /nfs/dbraw/zinc/39/96/00/964399600.db2.gz IKYRTCZXYNPZEV-UHFFFAOYSA-N 2 0 212.337 1.428 20 0 BDADRP CC(C)[NH+]1CC(Nc2ccc3c(n2)C[NH2+]CC3)C1 ZINC001168313265 964413882 /nfs/dbraw/zinc/41/38/82/964413882.db2.gz QAGGINNWLMKRAY-UHFFFAOYSA-N 2 0 246.358 1.232 20 0 BDADRP C[C@@H]1C[N@@H+](C2CCC([NH+](C)C)CC2)CC[C@@H]1O ZINC001168313703 964414322 /nfs/dbraw/zinc/41/43/22/964414322.db2.gz GDQXETHIGICRHB-RYSNWHEDSA-N 2 0 240.391 1.562 20 0 BDADRP CO[C@@H]1C[N@@H+](C2CCC([NH+](C)C)CC2)C[C@@H]1F ZINC001168315698 964420021 /nfs/dbraw/zinc/42/00/21/964420021.db2.gz ZZAAHOROOPAHLE-IFWUJCSASA-N 2 0 244.354 1.528 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2CCCC[C@H]2CO)CC1 ZINC001168314302 964422103 /nfs/dbraw/zinc/42/21/03/964422103.db2.gz CLZBGJBLPCYPPO-RUXDESIVSA-N 2 0 240.391 1.706 20 0 BDADRP C[NH+](C)C1CCC([NH+]2CC3(C2)CCOC3)CC1 ZINC001168315940 964436179 /nfs/dbraw/zinc/43/61/79/964436179.db2.gz RTHMOKAUOQVFEE-UHFFFAOYSA-N 2 0 238.375 1.582 20 0 BDADRP C[NH+](C)C1CCC([N@H+](C2CC2)C2COC2)CC1 ZINC001168327026 964456759 /nfs/dbraw/zinc/45/67/59/964456759.db2.gz JEVJFEGDXRWSOY-UHFFFAOYSA-N 2 0 238.375 1.722 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2CCOC3(CC3)C2)CC1 ZINC001168328277 964459613 /nfs/dbraw/zinc/45/96/13/964459613.db2.gz CQJAYABTUOQBHL-UHFFFAOYSA-N 2 0 238.375 1.724 20 0 BDADRP Cc1cnc(NCC[C@H]2CCC[N@H+]2C)c(C[NH3+])c1 ZINC001160970734 964461478 /nfs/dbraw/zinc/46/14/78/964461478.db2.gz PGXDGADEVWIBMW-CYBMUJFWSA-N 2 0 248.374 1.745 20 0 BDADRP C[C@@H]1C[N@@H+](C2CCC([NH+](C)C)CC2)CCN1C ZINC001168328123 964461793 /nfs/dbraw/zinc/46/17/93/964461793.db2.gz WLEQOPDSKQCYKQ-IYXRBSQSSA-N 2 0 239.407 1.495 20 0 BDADRP CN(C)c1cccc(NC/C=C/C[NH3+])[nH+]1 ZINC001160977472 964467776 /nfs/dbraw/zinc/46/77/76/964467776.db2.gz YDKOKNWBRKBEGR-ONEGZZNKSA-N 2 0 206.293 1.074 20 0 BDADRP [NH3+]CCc1nccn1C1CC[NH+](CC2CC2)CC1 ZINC001168355970 964507388 /nfs/dbraw/zinc/50/73/88/964507388.db2.gz HEDFKKDUIPPBDL-UHFFFAOYSA-N 2 0 248.374 1.431 20 0 BDADRP CN(C(=O)[C@H]([NH3+])C(C)(C)C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161062912 964509888 /nfs/dbraw/zinc/50/98/88/964509888.db2.gz LARZZJHWSFFBIC-AXFHLTTASA-N 2 0 241.379 1.088 20 0 BDADRP CN(C1CC[NH+](CC2CC2)CC1)C(C)(C)C[NH3+] ZINC001168359964 964554938 /nfs/dbraw/zinc/55/49/38/964554938.db2.gz KEMVSXCOWVYPIX-UHFFFAOYSA-N 2 0 239.407 1.530 20 0 BDADRP CC[C@H](COC)[NH2+]CC[C@H](C)[NH+](C)C ZINC000697871884 964599798 /nfs/dbraw/zinc/59/97/98/964599798.db2.gz PNEYPHORDIZWCQ-WDEREUQCSA-N 2 0 202.342 1.341 20 0 BDADRP C[C@@H](CC[NH2+]C[C@H]1CCC=CO1)[NH+](C)C ZINC000697877620 964604204 /nfs/dbraw/zinc/60/42/04/964604204.db2.gz CCZZVLPGPCBZLG-NWDGAFQWSA-N 2 0 212.337 1.609 20 0 BDADRP CCC(=O)Nc1cc(NCC[NH+](C)C)cc[nH+]1 ZINC001161673067 964677482 /nfs/dbraw/zinc/67/74/82/964677482.db2.gz WJNFVIOWUASNLL-UHFFFAOYSA-N 2 0 236.319 1.404 20 0 BDADRP C[NH+](C)CCNc1cccc2c1C[NH2+]CC2 ZINC001161671251 964677566 /nfs/dbraw/zinc/67/75/66/964677566.db2.gz MNFWHUUMQBKSBS-UHFFFAOYSA-N 2 0 219.332 1.306 20 0 BDADRP C[NH+]1CCCC[C@@H]1CO[C@@H]1CCC[N@@H+](C)C1 ZINC001224701113 964886810 /nfs/dbraw/zinc/88/68/10/964886810.db2.gz CZBUEFKQVDPKJK-CHWSQXEVSA-N 2 0 226.364 1.582 20 0 BDADRP C[NH+](C)Cc1ccc(N[C@@H]2CCC[C@H]([NH3+])C2)nc1 ZINC001162395597 964955055 /nfs/dbraw/zinc/95/50/55/964955055.db2.gz VJLGIZFKYDOBMZ-QWHCGFSZSA-N 2 0 248.374 1.825 20 0 BDADRP C[NH+](C)Cc1ccc(N[C@@H]2CCC[C@@H]([NH3+])C2)nc1 ZINC001162395595 964957069 /nfs/dbraw/zinc/95/70/69/964957069.db2.gz VJLGIZFKYDOBMZ-CHWSQXEVSA-N 2 0 248.374 1.825 20 0 BDADRP C/C(=C\C=C\N)[NH2+]C[C@H]1CCC[NH2+]C[C@@H]1C ZINC001162459163 964984820 /nfs/dbraw/zinc/98/48/20/964984820.db2.gz XXLHBFGWQWBQMD-MHFWEBFBSA-N 2 0 223.364 1.588 20 0 BDADRP C/C=C(\NC=[NH2+])NC[C@H]1CCC[NH2+]C[C@H]1C ZINC001162455328 964985663 /nfs/dbraw/zinc/98/56/63/964985663.db2.gz RUXBAHGDXVUONV-GWESFEMTSA-N 2 0 224.352 1.270 20 0 BDADRP C[C@@H]1C[NH2+]CCC[C@@H]1C[NH2+]c1cccc(=O)n1C ZINC001162465689 964988488 /nfs/dbraw/zinc/98/84/88/964988488.db2.gz JFKSSQDANAZTMR-VXGBXAGGSA-N 2 0 249.358 1.433 20 0 BDADRP C[C@@]1(O)CC[N@@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168374280 964994456 /nfs/dbraw/zinc/99/44/56/964994456.db2.gz YIFUKUJGBPSWJO-CQSZACIVSA-N 2 0 238.375 1.318 20 0 BDADRP Cc1cc(N(C)C)[nH+]cc1NC[C@H]1C[NH2+][C@H](C)C1 ZINC001162556663 965048023 /nfs/dbraw/zinc/04/80/23/965048023.db2.gz PUEOXLHKABOGIJ-VXGBXAGGSA-N 2 0 248.374 1.866 20 0 BDADRP F[C@@]1(CNc2ccccn2)CCCC[NH2+]C1 ZINC001162572790 965051725 /nfs/dbraw/zinc/05/17/25/965051725.db2.gz LGDAUCXRKFUQRI-LBPRGKRZSA-N 2 0 223.295 1.975 20 0 BDADRP C[n+]1cccc(NC[C@@]2(F)CCCC[NH2+]C2)c1 ZINC001162586756 965056251 /nfs/dbraw/zinc/05/62/51/965056251.db2.gz JXFWXWXKKHQGJE-CYBMUJFWSA-N 2 0 238.330 1.405 20 0 BDADRP c1cc2c[nH+]c(N[C@H]3C=C[C@H]4C[NH2+]C[C@H]43)cc2[nH]1 ZINC001162789846 965173604 /nfs/dbraw/zinc/17/36/04/965173604.db2.gz MSVMNGNISVCNNU-WCQGTBRESA-N 2 0 240.310 1.749 20 0 BDADRP CN(C)c1cccc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)[nH+]1 ZINC001162791067 965178317 /nfs/dbraw/zinc/17/83/17/965178317.db2.gz YVGXQOQLLRQGFQ-GRYCIOLGSA-N 2 0 244.342 1.334 20 0 BDADRP C/C=C(\NC=[NH2+])NCc1ccc2c(c1)CC[NH2+]C2 ZINC001162795432 965181630 /nfs/dbraw/zinc/18/16/30/965181630.db2.gz LFPHNIBOVQUYQM-VVHNFQOZSA-N 2 0 244.342 1.480 20 0 BDADRP Cc1c[nH+]c(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)c(C)c1 ZINC001162794475 965184272 /nfs/dbraw/zinc/18/42/72/965184272.db2.gz PLCHUGKUAKLNNX-JHJVBQTASA-N 2 0 229.327 1.884 20 0 BDADRP Cc1cnc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)c(C[NH3+])c1 ZINC001162799356 965186671 /nfs/dbraw/zinc/18/66/71/965186671.db2.gz YGTOFUYTCHPPDR-RAIGVLPGSA-N 2 0 244.342 1.035 20 0 BDADRP [NH3+]C1CC([NH2+][C@@H]2CCc3cc(F)ccc3C2)C1 ZINC001168412501 965293277 /nfs/dbraw/zinc/29/32/77/965293277.db2.gz OUHFNVWNAXQRMY-ROKHWSDSSA-N 2 0 234.318 1.762 20 0 BDADRP Cc1cccnc1N[C@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163305474 965326990 /nfs/dbraw/zinc/32/69/90/965326990.db2.gz MSJURDZURFKSAS-JSGCOSHPSA-N 2 0 247.342 1.713 20 0 BDADRP [NH3+]C1(CNc2[nH+]ccc3[nH]ccc32)CCC1 ZINC001163321143 965329826 /nfs/dbraw/zinc/32/98/26/965329826.db2.gz BWZHHYLEUSUSFL-UHFFFAOYSA-N 2 0 216.288 1.856 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2ccns2)C1 ZINC000690753562 965357287 /nfs/dbraw/zinc/35/72/87/965357287.db2.gz DULKPFLNRAKJCF-SECBINFHSA-N 2 0 211.334 1.314 20 0 BDADRP [NH3+]Cc1cccc(N[C@H]2C[NH+]3CCC2CC3)c1 ZINC001163393042 965391742 /nfs/dbraw/zinc/39/17/42/965391742.db2.gz MIMIMXDFCCUFKP-AWEZNQCLSA-N 2 0 231.343 1.651 20 0 BDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC3)c2)CC1 ZINC001163539367 965437091 /nfs/dbraw/zinc/43/70/91/965437091.db2.gz VPEIGZMIUYGOIN-UHFFFAOYSA-N 2 0 247.342 1.765 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)C1CCOCC1)C1CC[NH2+]CC1 ZINC000400344181 965467386 /nfs/dbraw/zinc/46/73/86/965467386.db2.gz HQTVRPSDNVVIBG-NEPJUHHUSA-N 2 0 240.391 1.779 20 0 BDADRP CN(CCC[NH+](C)C)c1cc2[nH]ccc2c[nH+]1 ZINC001163595898 965471451 /nfs/dbraw/zinc/47/14/51/965471451.db2.gz VIADPVVCTABIAW-UHFFFAOYSA-N 2 0 232.331 1.951 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccc[nH]c2=O)CC1 ZINC000714983985 965578478 /nfs/dbraw/zinc/57/84/78/965578478.db2.gz SKZZEBHWHFWMPC-LBPRGKRZSA-N 2 0 235.331 1.361 20 0 BDADRP C[C@@H](C[NH+](C)C)Nc1cccc2c1C[NH2+]CC2 ZINC001163782399 965585315 /nfs/dbraw/zinc/58/53/15/965585315.db2.gz GZBYBVWBXSWARO-NSHDSACASA-N 2 0 233.359 1.694 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089144424 965654169 /nfs/dbraw/zinc/65/41/69/965654169.db2.gz UHOFJGCSUPNFGM-JHJVBQTASA-N 2 0 236.363 1.379 20 0 BDADRP C1C[NH2+][C@@H]2CC[N@@H+]([C@H]3CCCOC3)C[C@@H]2C1 ZINC000715066408 965666482 /nfs/dbraw/zinc/66/64/82/965666482.db2.gz ZWNHSJGBPPTCPW-RWMBFGLXSA-N 2 0 224.348 1.239 20 0 BDADRP [NH3+][C@H]1CCC[N@H+](Cc2cc[nH]c(=O)c2)CC1 ZINC001205094197 965726588 /nfs/dbraw/zinc/72/65/88/965726588.db2.gz KCAKEMNKSSQHKL-NSHDSACASA-N 2 0 221.304 1.100 20 0 BDADRP C[C@H]1OCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1C ZINC000699206701 965816668 /nfs/dbraw/zinc/81/66/68/965816668.db2.gz XVDYMVLXNFYDSS-PJIALRRASA-N 2 0 238.375 1.626 20 0 BDADRP [NH3+][C@@H]1CCc2c1cccc2N1CC[C@H]([NH3+])C1 ZINC001164286945 965831461 /nfs/dbraw/zinc/83/14/61/965831461.db2.gz ZQYSOAPEWUQJGG-JOYOIKCWSA-N 2 0 217.316 1.170 20 0 BDADRP C[N@@H+]1CC[C@@H](c2ccc(N3CC[C@@H]([NH3+])C3)cc2)C1 ZINC001164288279 965832425 /nfs/dbraw/zinc/83/24/25/965832425.db2.gz NFWSPTYRUZJLFK-ZIAGYGMSSA-N 2 0 245.370 1.643 20 0 BDADRP Cc1c[nH]c(=O)c(C[N@@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205117908 965873727 /nfs/dbraw/zinc/87/37/27/965873727.db2.gz YPTTVHQVUFYVBP-LBPRGKRZSA-N 2 0 235.331 1.409 20 0 BDADRP [NH3+][C@@H]1CCC[N@H+](Cc2cccc3c2CCN3)CC1 ZINC001205124084 965887127 /nfs/dbraw/zinc/88/71/27/965887127.db2.gz KCORMVYIABXDSG-CYBMUJFWSA-N 2 0 245.370 1.968 20 0 BDADRP C[NH+](C)Cc1ccnc(N2CC(C)([NH+](C)C)C2)c1 ZINC001165122394 965968259 /nfs/dbraw/zinc/96/82/59/965968259.db2.gz ZBDNDSCFXOTGPE-UHFFFAOYSA-N 2 0 248.374 1.284 20 0 BDADRP C[NH+](C)C1CCC([NH2+]C[C@@]2(C)CCOC2)CC1 ZINC000715223477 965975332 /nfs/dbraw/zinc/97/53/32/965975332.db2.gz KXYBCMQYKDJTAZ-JXQTWKCFSA-N 2 0 240.391 1.875 20 0 BDADRP COc1cc[nH+]c(N2C[C@@H]3C[C@]3(C[NH+](C)C)C2)c1 ZINC001165182837 965977398 /nfs/dbraw/zinc/97/73/98/965977398.db2.gz XLYFJHZMIPNJGL-FZMZJTMJSA-N 2 0 247.342 1.478 20 0 BDADRP Cc1c[nH+]c(N2CC[N@@H+](C(C)C)[C@H](C)C2)cc1N ZINC001165200465 965984521 /nfs/dbraw/zinc/98/45/21/965984521.db2.gz ZNXUSPJUGLWTCK-GFCCVEGCSA-N 2 0 248.374 1.891 20 0 BDADRP CNc1ncccc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205135881 965986728 /nfs/dbraw/zinc/98/67/28/965986728.db2.gz BRKCTLRYUMYMGR-CMPLNLGQSA-N 2 0 234.347 1.150 20 0 BDADRP C[N@@H+]1CCC[C@H](CCNc2cc(C[NH3+])ccn2)C1 ZINC001165253791 966009962 /nfs/dbraw/zinc/00/99/62/966009962.db2.gz RQVWLDJGIZTMDP-GFCCVEGCSA-N 2 0 248.374 1.684 20 0 BDADRP Cc1c[nH+]c(N2CCC(F)(C[NH3+])CC2)cc1N ZINC001165263231 966013032 /nfs/dbraw/zinc/01/30/32/966013032.db2.gz LOEVGZKMGHBCSP-UHFFFAOYSA-N 2 0 238.310 1.239 20 0 BDADRP CN(C[C@H]([NH3+])Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001235341643 966043988 /nfs/dbraw/zinc/04/39/88/966043988.db2.gz CEMNTPCDCCETRA-HUUCEWRRSA-N 2 0 247.386 1.240 20 0 BDADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2COC[C@@H]2C)CC1 ZINC000699804783 966092198 /nfs/dbraw/zinc/09/21/98/966092198.db2.gz IIMCICXDNASSMV-GXTWGEPZSA-N 2 0 240.391 1.731 20 0 BDADRP [NH3+]CCN1CCC2(CC(OCC3CC3)C2)CC1 ZINC001235629928 966096347 /nfs/dbraw/zinc/09/63/47/966096347.db2.gz AAWQTVQPDSZNLK-UHFFFAOYSA-N 2 0 238.375 1.616 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2C[C@@H](O)C(C)(C)C2)CC1 ZINC000691360955 966113744 /nfs/dbraw/zinc/11/37/44/966113744.db2.gz TZLFRIHJXMWAGU-GFCCVEGCSA-N 2 0 226.364 1.031 20 0 BDADRP CS[C@H](C)CC[N@@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235977337 966188591 /nfs/dbraw/zinc/18/85/91/966188591.db2.gz GNKBZPKWERSWEM-GMTAPVOTSA-N 2 0 214.378 1.551 20 0 BDADRP [NH3+]CCc1nccn1-c1ccc(C2([NH3+])CC2)cc1 ZINC001166369920 966275414 /nfs/dbraw/zinc/27/54/14/966275414.db2.gz NSDQCBGBDRTBSS-UHFFFAOYSA-N 2 0 242.326 1.321 20 0 BDADRP COc1cc[nH+]c(N(C)C[C@@H]2CC[NH2+]C2)c1 ZINC001166955465 966481132 /nfs/dbraw/zinc/48/11/32/966481132.db2.gz XZTBYIYNXCABGJ-SNVBAGLBSA-N 2 0 221.304 1.136 20 0 BDADRP Cc1cncc(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)c1 ZINC001205222036 966879197 /nfs/dbraw/zinc/87/91/97/966879197.db2.gz ZUDKZFZOFQZDTB-CQSZACIVSA-N 2 0 249.358 1.066 20 0 BDADRP CN1CCC[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC000715492540 966921629 /nfs/dbraw/zinc/92/16/29/966921629.db2.gz UUKXWMUXFBLKLU-ROKHWSDSSA-N 2 0 239.407 1.543 20 0 BDADRP C[NH+](C)C1CCC([NH2+]CCC2OCCO2)CC1 ZINC000715507961 966939646 /nfs/dbraw/zinc/93/96/46/966939646.db2.gz IMZXSCZRKFFFPZ-UHFFFAOYSA-N 2 0 242.363 1.212 20 0 BDADRP [NH3+][C@H](Cc1ccccc1)CN1CCC[C@H](O)C1 ZINC001204611576 967102455 /nfs/dbraw/zinc/10/24/55/967102455.db2.gz VDFZCEDJRYVLNX-KGLIPLIRSA-N 2 0 234.343 1.013 20 0 BDADRP C[C@@]1([NH3+])CC[N@H+](CC2CCSCC2)C1 ZINC001204763954 967156370 /nfs/dbraw/zinc/15/63/70/967156370.db2.gz ULSMQEBIMWFRFY-LLVKDONJSA-N 2 0 214.378 1.553 20 0 BDADRP C[C@H]1CC(=O)CC[N@@H+]1C1CCC([NH+](C)C)CC1 ZINC000715562354 967182713 /nfs/dbraw/zinc/18/27/13/967182713.db2.gz ONAQNWVHCMPDFU-HIFPTAJRSA-N 2 0 238.375 1.913 20 0 BDADRP C[C@@]1([NH3+])CCCN(CC[C@@H]2CCCC[NH2+]2)C1 ZINC001204939296 967245280 /nfs/dbraw/zinc/24/52/80/967245280.db2.gz QNFJHYHWTIDAQJ-QWHCGFSZSA-N 2 0 225.380 1.332 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@@H](OC3CCC3)C2)C1 ZINC000693559740 967261722 /nfs/dbraw/zinc/26/17/22/967261722.db2.gz OLRIYNUOLBIBFC-MBNYWOFBSA-N 2 0 238.375 1.757 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2cccnc2F)CC1 ZINC001205033853 967299089 /nfs/dbraw/zinc/29/90/89/967299089.db2.gz WMTUAFSJWMASKZ-UHFFFAOYSA-N 2 0 223.295 1.391 20 0 BDADRP CNc1ncc(C[NH+]2CCC(C[NH3+])CC2)s1 ZINC001205052779 967308028 /nfs/dbraw/zinc/30/80/28/967308028.db2.gz CYZCFAYQEPPOHJ-UHFFFAOYSA-N 2 0 240.376 1.356 20 0 BDADRP C[C@H]1CC[C@@H](CN)[N@@H+]1CCC1CC[NH+](C)CC1 ZINC001205058022 967313426 /nfs/dbraw/zinc/31/34/26/967313426.db2.gz CLSOLXHIZIPPLV-JSGCOSHPSA-N 2 0 239.407 1.530 20 0 BDADRP [NH3+][C@H]1CCC[N@H+](CCC2CC[NH2+]CC2)CC1 ZINC001205089074 967340713 /nfs/dbraw/zinc/34/07/13/967340713.db2.gz XBIFJCFERLACKK-ZDUSSCGKSA-N 2 0 225.380 1.189 20 0 BDADRP CC1(C[N@@H+]2CCC[C@H]([NH3+])CC2)CCOCC1 ZINC001205094968 967341895 /nfs/dbraw/zinc/34/18/95/967341895.db2.gz RROFEUHXSHNKEQ-LBPRGKRZSA-N 2 0 226.364 1.616 20 0 BDADRP [NH3+][C@@H]1CCC[N@H+](Cc2cccn3ccnc23)CC1 ZINC001205110632 967361041 /nfs/dbraw/zinc/36/10/41/967361041.db2.gz XJTHDIDIGBECNO-CYBMUJFWSA-N 2 0 244.342 1.648 20 0 BDADRP [NH3+][C@H]1CCC[N@H+](Cc2c[nH]c3nccnc23)CC1 ZINC001205117138 967364089 /nfs/dbraw/zinc/36/40/89/967364089.db2.gz LPJWUVWAWDUBAU-NSHDSACASA-N 2 0 245.330 1.223 20 0 BDADRP Cc1nc(N)ccc1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205117959 967371057 /nfs/dbraw/zinc/37/10/57/967371057.db2.gz ZPUXWHMZWNJCQX-GFCCVEGCSA-N 2 0 234.347 1.285 20 0 BDADRP COc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1N ZINC001205141144 967392058 /nfs/dbraw/zinc/39/20/58/967392058.db2.gz XHAWXLLLDXOKFG-CMPLNLGQSA-N 2 0 249.358 1.304 20 0 BDADRP CNc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC001205150739 967393007 /nfs/dbraw/zinc/39/30/07/967393007.db2.gz JEAIJYPIDIJVAA-WCQYABFASA-N 2 0 233.359 1.755 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccc3c(c2)C[NH2+]C3)C[C@H]1C[NH3+] ZINC001205151124 967397753 /nfs/dbraw/zinc/39/77/53/967397753.db2.gz PNMTZKXFDLJKNM-XHDPSFHLSA-N 3 0 245.370 1.316 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001205171399 967409301 /nfs/dbraw/zinc/40/93/01/967409301.db2.gz PDWHUNZHPPBFGZ-DGCLKSJQSA-N 2 0 237.391 1.188 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1CC1CCSCC1 ZINC001205170837 967413289 /nfs/dbraw/zinc/41/32/89/967413289.db2.gz GDNGSIMYBLBJCD-MWLCHTKSSA-N 2 0 214.378 1.551 20 0 BDADRP Cc1ccc(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)nc1 ZINC001205228375 967427453 /nfs/dbraw/zinc/42/74/53/967427453.db2.gz DVPSWTMUDXVGFI-AWEZNQCLSA-N 2 0 249.358 1.066 20 0 BDADRP Cc1ccnc(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)c1 ZINC001205210334 967428898 /nfs/dbraw/zinc/42/88/98/967428898.db2.gz NTHDDZJUJYKZGX-CQSZACIVSA-N 2 0 249.358 1.066 20 0 BDADRP Cc1ccccc1C[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205209773 967430899 /nfs/dbraw/zinc/43/08/99/967430899.db2.gz LCEOXHUEBJCPMA-HNNXBMFYSA-N 2 0 248.370 1.671 20 0 BDADRP COC(=O)CCC[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205257511 967443327 /nfs/dbraw/zinc/44/33/27/967443327.db2.gz WEVUFYSPGDDVST-LBPRGKRZSA-N 2 0 228.336 1.143 20 0 BDADRP Cc1nn(C)cc1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205265338 967455345 /nfs/dbraw/zinc/45/53/45/967455345.db2.gz PYNMHAPAQBPGTR-ZDUSSCGKSA-N 2 0 236.363 1.432 20 0 BDADRP C[NH+](C)CCC1=CC[C@@H]([NH+]2CCOCC2)CC1 ZINC001250162015 967455475 /nfs/dbraw/zinc/45/54/75/967455475.db2.gz IBRMSWQRJXYFJQ-CQSZACIVSA-N 2 0 238.375 1.749 20 0 BDADRP C[NH+](C)CCn1cc(CC[NH+]2CCCC2)cn1 ZINC001250165965 967463657 /nfs/dbraw/zinc/46/36/57/967463657.db2.gz BMZSVCQSXBDDSA-UHFFFAOYSA-N 2 0 236.363 1.083 20 0 BDADRP C[C@@]1([NH3+])CCC[N@H+](Cc2cccc(C[NH3+])c2)CC1 ZINC001205288946 967485513 /nfs/dbraw/zinc/48/55/13/967485513.db2.gz QLQKCLCRTGWPOE-OAHLLOKOSA-N 3 0 247.386 1.849 20 0 BDADRP C[C@@H]1CCN(C[C@H]2CCCC[NH2+]2)C[C@H]1C[NH3+] ZINC001205296130 967499070 /nfs/dbraw/zinc/49/90/70/967499070.db2.gz HNHGGBYTTJCYHF-JHJVBQTASA-N 2 0 225.380 1.045 20 0 BDADRP C[C@@H]1CC[N@H+](CC2(C)CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC001205296172 967499428 /nfs/dbraw/zinc/49/94/28/967499428.db2.gz IIFZAYAWHVMGAL-CHWSQXEVSA-N 3 0 239.407 1.293 20 0 BDADRP CC(C)[NH2+]CC[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001272984601 967554422 /nfs/dbraw/zinc/55/44/22/967554422.db2.gz HJURFBOYDJJHSO-GFCCVEGCSA-N 2 0 243.395 1.221 20 0 BDADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2ccc[nH]2)CC1 ZINC001205545584 967664071 /nfs/dbraw/zinc/66/40/71/967664071.db2.gz JPVGEUHYCJUAHB-LBPRGKRZSA-N 2 0 225.311 1.668 20 0 BDADRP [NH3+]C[C@]1(F)CCC[N@H+](CC23CC([NH3+])(C2)C3)CC1 ZINC001205536899 967666934 /nfs/dbraw/zinc/66/69/34/967666934.db2.gz BSZHYJMQVUCYJK-CPCZMJQVSA-N 3 0 241.354 1.021 20 0 BDADRP C[C@@H]1CC[N@H+](CCCC[NH3+])CC[C@@]1(C)O ZINC001205539375 967681047 /nfs/dbraw/zinc/68/10/47/967681047.db2.gz XSSBCAWHLGCZKQ-VXGBXAGGSA-N 2 0 214.353 1.208 20 0 BDADRP C[C@H]1CC[N@H+](CCCC[NH3+])CC[C@H]1C[NH3+] ZINC001205603631 967719359 /nfs/dbraw/zinc/71/93/59/967719359.db2.gz RIKVDRRUICXEPC-RYUDHWBXSA-N 3 0 213.369 1.032 20 0 BDADRP C[C@H]1CC[N@H+](CC2CC[NH2+]CC2)CC[C@@H]1C[NH3+] ZINC001205603587 967720107 /nfs/dbraw/zinc/72/01/07/967720107.db2.gz QPPVIVSCBJDSBY-GXTWGEPZSA-N 3 0 239.407 1.293 20 0 BDADRP C[C@@H]1CC[N@H+](CCCC[NH3+])CC[C@@H]1C[NH3+] ZINC001205603632 967720796 /nfs/dbraw/zinc/72/07/96/967720796.db2.gz RIKVDRRUICXEPC-VXGBXAGGSA-N 3 0 213.369 1.032 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2cccc(=O)[nH]2)CC[C@H]1C[NH3+] ZINC001205618911 967727975 /nfs/dbraw/zinc/72/79/75/967727975.db2.gz ZCTMFQGKGYHWKX-NEPJUHHUSA-N 2 0 249.358 1.594 20 0 BDADRP C[C@H]1CC[N@H+](Cc2ncccn2)CC[C@@H]1C[NH3+] ZINC001205617831 967729240 /nfs/dbraw/zinc/72/92/40/967729240.db2.gz OJDFGVSJBCWYDC-NWDGAFQWSA-N 2 0 234.347 1.283 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2ccnnc2)CC[C@H]1C[NH3+] ZINC001205627096 967736119 /nfs/dbraw/zinc/73/61/19/967736119.db2.gz MNHRECAKUNMDJC-YPMHNXCESA-N 2 0 234.347 1.283 20 0 BDADRP Cc1nc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c[nH]1 ZINC001205639300 967738318 /nfs/dbraw/zinc/73/83/18/967738318.db2.gz YRSNOBBXZMAMKR-CMPLNLGQSA-N 2 0 236.363 1.525 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2c[nH]ccc2=O)CC[C@H]1C[NH3+] ZINC001205652254 967744006 /nfs/dbraw/zinc/74/40/06/967744006.db2.gz OSZUYEDZMWJYSN-NEPJUHHUSA-N 2 0 249.358 1.182 20 0 BDADRP [NH3+]C[C@]1(O)CCCC[N@H+](C[C@H]2CC=CCC2)C1 ZINC001205664579 967758769 /nfs/dbraw/zinc/75/87/69/967758769.db2.gz OIXWQCQORBCETC-UONOGXRCSA-N 2 0 238.375 1.518 20 0 BDADRP C[C@@H]([NH3+])CN(C)CCC[NH+]1CCCCC1 ZINC000695655768 967773519 /nfs/dbraw/zinc/77/35/19/967773519.db2.gz HCZSBFJHCSYANA-GFCCVEGCSA-N 2 0 213.369 1.141 20 0 BDADRP COc1cncc(C[NH+]2CCC(C[NH3+])CC2)c1C ZINC001205053963 967778596 /nfs/dbraw/zinc/77/85/96/967778596.db2.gz XLUXHIXRWZQLBH-UHFFFAOYSA-N 2 0 249.358 1.569 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C[C@@H]1[NH3+] ZINC001205863490 967862230 /nfs/dbraw/zinc/86/22/30/967862230.db2.gz YIORQBNFWIZVNZ-AGIUHOORSA-N 2 0 225.380 1.045 20 0 BDADRP C[C@@H]1CCN(Cc2cccc3c[nH+]cn32)C[C@@H]1[NH3+] ZINC001205889139 967875185 /nfs/dbraw/zinc/87/51/85/967875185.db2.gz URSKASZMXUVBQO-RISCZKNCSA-N 2 0 244.342 1.503 20 0 BDADRP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2C2CC2)C[C@H]1O ZINC001205952810 967900598 /nfs/dbraw/zinc/90/05/98/967900598.db2.gz BCNPUHYGEHDNBM-HUUCEWRRSA-N 2 0 246.354 1.458 20 0 BDADRP COC(=O)CCC[N@@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205985321 967929396 /nfs/dbraw/zinc/92/93/96/967929396.db2.gz XIQFNOSJPFAXCK-NEPJUHHUSA-N 2 0 242.363 1.246 20 0 BDADRP C[C@H]1C[N@H+](CC23CC([NH3+])(C2)C3)CCC[C@H]1C[NH3+] ZINC001205982192 967934126 /nfs/dbraw/zinc/93/41/26/967934126.db2.gz LKYJUXACRRVGQE-FEPKRQSRSA-N 3 0 237.391 1.175 20 0 BDADRP C[C@@H]1C[N@H+](CCCCC[NH3+])CCC[C@H]1C[NH3+] ZINC001205984229 967937265 /nfs/dbraw/zinc/93/72/65/967937265.db2.gz RLPFTEMBHJWBHR-OLZOCXBDSA-N 3 0 227.396 1.422 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccc(N)nc2)CCC[C@@H]1C[NH3+] ZINC001206011790 967963919 /nfs/dbraw/zinc/96/39/19/967963919.db2.gz GOSPAWZJXHSXMP-DGCLKSJQSA-N 2 0 248.374 1.471 20 0 BDADRP C[C@@H]1CCN(Cc2cccc(C[NH3+])c2)C[C@H]1[NH3+] ZINC001206043536 968005187 /nfs/dbraw/zinc/00/51/87/968005187.db2.gz KDPPXCKXOJHQDU-BXUZGUMPSA-N 3 0 233.359 1.314 20 0 BDADRP COC1CCC(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC001206053405 968026233 /nfs/dbraw/zinc/02/62/33/968026233.db2.gz USWPZBCBDCGANA-IKWCTNDRSA-N 2 0 226.364 1.471 20 0 BDADRP [NH3+][C@H]1CN(CC[C@H]2CCC[NH2+]C2)CC(F)(F)C1 ZINC001206116774 968069664 /nfs/dbraw/zinc/06/96/64/968069664.db2.gz GEXNWTIJRDPJDF-GHMZBOCLSA-N 2 0 247.333 1.044 20 0 BDADRP [NH3+][C@H]1CN(CC[C@H]2CCCC[NH2+]2)CC(F)(F)C1 ZINC001206117118 968071452 /nfs/dbraw/zinc/07/14/52/968071452.db2.gz JKLCJCCCZRSIBN-GHMZBOCLSA-N 2 0 247.333 1.187 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CC[C@@H](N)[C@H](F)CC2)CC1 ZINC001206154226 968092967 /nfs/dbraw/zinc/09/29/67/968092967.db2.gz HQEIAXNFOBGNKS-CHWSQXEVSA-N 2 0 243.370 1.089 20 0 BDADRP C[C@@H]1CCSCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000693592762 968099877 /nfs/dbraw/zinc/09/98/77/968099877.db2.gz QOHKNUUNDITAGT-MXWKQRLJSA-N 2 0 214.378 1.551 20 0 BDADRP Cc1cc(C[NH3+])nn1-c1c[nH+]cc2cc[nH]c21 ZINC001163984937 968149888 /nfs/dbraw/zinc/14/98/88/968149888.db2.gz FNLYYJKJVXPODP-UHFFFAOYSA-N 2 0 227.271 1.516 20 0 BDADRP C[C@H](CCO)[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000685979270 968173775 /nfs/dbraw/zinc/17/37/75/968173775.db2.gz RIDGQIWSYHMDLJ-IJLUTSLNSA-N 2 0 214.353 1.220 20 0 BDADRP C[NH+](C)CCO[C@H]1CCC[N@H+](C)CC1 ZINC001206272229 968180636 /nfs/dbraw/zinc/18/06/36/968180636.db2.gz DWXJCOYYSAAJQX-NSHDSACASA-N 2 0 200.326 1.049 20 0 BDADRP C[C@@H]1C[NH2+]CCN(Cc2cccc(C[NH3+])c2)C1 ZINC001206278092 968194792 /nfs/dbraw/zinc/19/47/92/968194792.db2.gz YNEXWBLJQFZECP-GFCCVEGCSA-N 2 0 233.359 1.187 20 0 BDADRP COCC[NH+]1CCC(OCCC[NH+](C)C)CC1 ZINC001206296656 968205189 /nfs/dbraw/zinc/20/51/89/968205189.db2.gz OVMBKKPSUHRVLP-UHFFFAOYSA-N 2 0 244.379 1.066 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2cccc(=O)[nH]2)CC1 ZINC001206305455 968214348 /nfs/dbraw/zinc/21/43/48/968214348.db2.gz ZTHUOEGYHQHKFF-AWEZNQCLSA-N 2 0 249.358 1.738 20 0 BDADRP Cc1cc(N2CC[C@H]([NH3+])C2)cc(OC(F)F)n1 ZINC001164288509 968214512 /nfs/dbraw/zinc/21/45/12/968214512.db2.gz QEFUZADXXCNENY-QMMMGPOBSA-N 2 0 243.257 1.529 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2ccon2)CC1 ZINC001206305380 968214514 /nfs/dbraw/zinc/21/45/14/968214514.db2.gz YBWFUPCMXRTTCP-LBPRGKRZSA-N 2 0 223.320 1.626 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2nccnc2N)CC1 ZINC001206311269 968219200 /nfs/dbraw/zinc/21/92/00/968219200.db2.gz LNQCLACRDVRBNO-ZDUSSCGKSA-N 2 0 249.362 1.010 20 0 BDADRP CCC[NH2+]CC[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001273204483 968226276 /nfs/dbraw/zinc/22/62/76/968226276.db2.gz LIFKNLDGRCCKHK-LBPRGKRZSA-N 2 0 243.395 1.221 20 0 BDADRP NC[C@]1(F)CCCC[N@H+](CCCCCO)C1 ZINC001206335616 968237158 /nfs/dbraw/zinc/23/71/58/968237158.db2.gz HAZNZXWKJARUFH-GFCCVEGCSA-N 2 0 232.343 1.302 20 0 BDADRP CN(C)c1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC001331821971 968254021 /nfs/dbraw/zinc/25/40/21/968254021.db2.gz OTNCYAZWYBCFQT-LSDHHAIUSA-N 2 0 247.386 1.765 20 0 BDADRP CC[NH+]1CCC(CN2C[C@H]([NH3+])C[C@@H](F)C2)CC1 ZINC001206406126 968284214 /nfs/dbraw/zinc/28/42/14/968284214.db2.gz VJBYAEYNCVHYOR-CHWSQXEVSA-N 2 0 243.370 1.089 20 0 BDADRP CC[C@@H](C(=O)NCc1ccccc1C[NH3+])[NH+](C)C ZINC001119236197 968294232 /nfs/dbraw/zinc/29/42/32/968294232.db2.gz XWHNXOJIWJNHLR-ZDUSSCGKSA-N 2 0 249.358 1.102 20 0 BDADRP CC1=C[C@H](C)[C@H](C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001206457947 968320471 /nfs/dbraw/zinc/32/04/71/968320471.db2.gz VPPNACOKRJHPKT-XDQVBPFNSA-N 2 0 238.375 1.230 20 0 BDADRP Cc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1C ZINC001206464361 968325613 /nfs/dbraw/zinc/32/56/13/968325613.db2.gz NLUVGWNRHKWCAY-UONOGXRCSA-N 2 0 234.343 1.055 20 0 BDADRP CC(C)c1ccccc1C[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206476918 968328374 /nfs/dbraw/zinc/32/83/74/968328374.db2.gz YHPYKPMXKFQDLK-DZGCQCFKSA-N 2 0 248.370 1.561 20 0 BDADRP CCN1CCC[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC001206472329 968329422 /nfs/dbraw/zinc/32/94/22/968329422.db2.gz VHDWYPMWTLXYOE-MELADBBJSA-N 2 0 239.407 1.401 20 0 BDADRP CC[C@@H](O)C[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001251799506 968337541 /nfs/dbraw/zinc/33/75/41/968337541.db2.gz AZFNFBSTPQILPC-HZSPNIEDSA-N 2 0 242.407 1.715 20 0 BDADRP Cc1cccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1C ZINC001206512822 968343554 /nfs/dbraw/zinc/34/35/54/968343554.db2.gz UMPDQDZEADUKIW-KBPBESRZSA-N 2 0 234.343 1.055 20 0 BDADRP C[C@]1(C[NH3+])CCCC[N@H+](C[C@H]2CCOC2)C1 ZINC001206542182 968366332 /nfs/dbraw/zinc/36/63/32/968366332.db2.gz UNKLUCSFJRONIV-CHWSQXEVSA-N 2 0 226.364 1.474 20 0 BDADRP COCCC[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206542043 968367298 /nfs/dbraw/zinc/36/72/98/968367298.db2.gz PTOULQQAIRBERY-LBPRGKRZSA-N 2 0 214.353 1.474 20 0 BDADRP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ncccc2N)C1 ZINC001206547170 968372150 /nfs/dbraw/zinc/37/21/50/968372150.db2.gz CKDQZZOFOGNVRP-AWEZNQCLSA-N 2 0 248.374 1.615 20 0 BDADRP Cn1cccc1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206606552 968403041 /nfs/dbraw/zinc/40/30/41/968403041.db2.gz PEGGRFXAQDIHQR-LBPRGKRZSA-N 2 0 221.348 1.586 20 0 BDADRP [NH3+]C[C@@H]1CCCC[N@H+](CC2(F)CC[NH2+]CC2)C1 ZINC001206606841 968415025 /nfs/dbraw/zinc/41/50/25/968415025.db2.gz UUANOJRZPBFCFK-LBPRGKRZSA-N 2 0 243.370 1.139 20 0 BDADRP [NH3+]C[C@H]1CCCCN(Cc2ccncc2F)C1 ZINC001206616424 968418078 /nfs/dbraw/zinc/41/80/78/968418078.db2.gz OAOQRLKBXGTKJE-LLVKDONJSA-N 2 0 237.322 1.782 20 0 BDADRP C[NH+](C)Cc1ccccc1N1CC[NH+](C)CC1 ZINC000060253212 968423883 /nfs/dbraw/zinc/42/38/83/968423883.db2.gz AYJWTCHWHLGCTM-UHFFFAOYSA-N 2 0 233.359 1.500 20 0 BDADRP Nc1ncc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)s1 ZINC001206623493 968424025 /nfs/dbraw/zinc/42/40/25/968424025.db2.gz LYZQCGSKFGNZJP-SECBINFHSA-N 2 0 240.376 1.286 20 0 BDADRP C[N@@H+]1CCC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC001206700914 968436420 /nfs/dbraw/zinc/43/64/20/968436420.db2.gz JZBQVTINXISXMF-CYBMUJFWSA-N 2 0 226.364 1.583 20 0 BDADRP CO[C@H]1CCC[N@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207275035 968705672 /nfs/dbraw/zinc/70/56/72/968705672.db2.gz ISFLMQYNQGQUFL-LBPRGKRZSA-N 2 0 228.380 1.685 20 0 BDADRP C[C@H]1CCC[N@H+](CC(C)(C)C[NH+](C)C)[C@H]1CO ZINC001207274740 968706572 /nfs/dbraw/zinc/70/65/72/968706572.db2.gz FWSXJTQGQWNEEP-STQMWFEESA-N 2 0 242.407 1.667 20 0 BDADRP C[C@@H]1C[N@H+](CC(C)(C)C[NH+](C)C)CC[C@H]1O ZINC001207276300 968712301 /nfs/dbraw/zinc/71/23/01/968712301.db2.gz VCHNPHOWKPYTID-VXGBXAGGSA-N 2 0 228.380 1.277 20 0 BDADRP CC(C)[N@H+](CCCO)CC(C)(C)C[NH+](C)C ZINC001207287200 968719134 /nfs/dbraw/zinc/71/91/34/968719134.db2.gz ZERLQZHPCDERDT-UHFFFAOYSA-N 2 0 230.396 1.667 20 0 BDADRP C[N@@H+](Cc1ccno1)CC1CC[NH+](C)CC1 ZINC001207399621 968749968 /nfs/dbraw/zinc/74/99/68/968749968.db2.gz PRHGDRFJJFMZQA-UHFFFAOYSA-N 2 0 223.320 1.448 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)CC1 ZINC001207399643 968752215 /nfs/dbraw/zinc/75/22/15/968752215.db2.gz QBYKQUQGJVEHNO-UONOGXRCSA-N 2 0 238.375 1.439 20 0 BDADRP C[N@H+](CC1CC[NH+](C)CC1)C1(C)COC1 ZINC001207398696 968753394 /nfs/dbraw/zinc/75/33/94/968753394.db2.gz JFPHXDBBHLMXAM-UHFFFAOYSA-N 2 0 212.337 1.049 20 0 BDADRP C[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCC1(F)F ZINC001207436512 968769777 /nfs/dbraw/zinc/76/97/77/968769777.db2.gz LEAPFKOUFSRSOY-JTQLQIEISA-N 2 0 232.318 1.963 20 0 BDADRP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CCC[C@@H]1O ZINC001207436471 968770143 /nfs/dbraw/zinc/77/01/43/968770143.db2.gz IUGPLQGYGYEBIF-YPMHNXCESA-N 2 0 226.364 1.079 20 0 BDADRP C[C@H]1CC[N@H+](CC2CC[NH2+]CC2)CCC1=O ZINC001207436880 968770255 /nfs/dbraw/zinc/77/02/55/968770255.db2.gz VVWGNRVPEXLCJQ-NSHDSACASA-N 2 0 224.348 1.287 20 0 BDADRP C(C1CC[NH2+]CC1)[NH+]1CC2(C1)CCCOC2 ZINC001207435434 968770632 /nfs/dbraw/zinc/77/06/32/968770632.db2.gz FJIAQEALKMTWLG-UHFFFAOYSA-N 2 0 224.348 1.098 20 0 BDADRP C[C@H]1CC[N@H+](CC2CC[NH2+]CC2)CC[C@@]1(C)O ZINC001207436328 968771417 /nfs/dbraw/zinc/77/14/17/968771417.db2.gz FEVYGLMRNWHRMM-GXTWGEPZSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@]1(CF)CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC001207436585 968771451 /nfs/dbraw/zinc/77/14/51/968771451.db2.gz OQPLLFUIJQKUMK-GFCCVEGCSA-N 2 0 214.328 1.668 20 0 BDADRP c1cnn(C2CC[NH+](CC3CC[NH2+]CC3)CC2)c1 ZINC001207441290 968773436 /nfs/dbraw/zinc/77/34/36/968773436.db2.gz ZEUCMLGJIIBPNW-UHFFFAOYSA-N 2 0 248.374 1.520 20 0 BDADRP Cc1cc2c(cn1)C[N@H+](CC1CC[NH2+]CC1)C2 ZINC001207439371 968773694 /nfs/dbraw/zinc/77/36/94/968773694.db2.gz PTRQUCUJOHEYJJ-UHFFFAOYSA-N 2 0 231.343 1.705 20 0 BDADRP C[NH+]1CCC(CC[NH+]2CCSCC2)CC1 ZINC001207481370 968798259 /nfs/dbraw/zinc/79/82/59/968798259.db2.gz DGSCCQIQVFQPSX-UHFFFAOYSA-N 2 0 228.405 1.767 20 0 BDADRP C[NH+]1CCC(CC[NH+]2CCC(CO)CC2)CC1 ZINC001207481380 968798866 /nfs/dbraw/zinc/79/88/66/968798866.db2.gz DXWFUSJFFYFWIJ-UHFFFAOYSA-N 2 0 240.391 1.423 20 0 BDADRP OCC1CC[NH+](C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000829275598 968825530 /nfs/dbraw/zinc/82/55/30/968825530.db2.gz NHBZTZLSSHZEQN-CYBMUJFWSA-N 2 0 226.364 1.080 20 0 BDADRP CC(C)OC[C@@H](O)C[NH2+]CCCCC[NH+](C)C ZINC001252693990 968908872 /nfs/dbraw/zinc/90/88/72/968908872.db2.gz WYWODPDFVRJYPE-ZDUSSCGKSA-N 2 0 246.395 1.094 20 0 BDADRP C[N@H+]1C[C@@H]2C[NH+](CC3(C)CCOCC3)C[C@@H]2C1 ZINC001208077966 968979926 /nfs/dbraw/zinc/97/99/26/968979926.db2.gz ZBXNOWWXEXFDRT-BETUJISGSA-N 2 0 238.375 1.297 20 0 BDADRP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](CCCn1cccn1)C2 ZINC001208083812 968989327 /nfs/dbraw/zinc/98/93/27/968989327.db2.gz JPCVAPZXSHLEIZ-ZIAGYGMSSA-N 2 0 248.374 1.157 20 0 BDADRP COC1(C)C[NH+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208108071 968999608 /nfs/dbraw/zinc/99/96/08/968999608.db2.gz PDYIIQGOHIDACC-UHFFFAOYSA-N 2 0 226.364 1.439 20 0 BDADRP C[NH+]1CCC(C)(C[NH+]2CC(C(F)F)C2)CC1 ZINC001208115711 969009161 /nfs/dbraw/zinc/00/91/61/969009161.db2.gz KWVMOHCXIJBUOT-UHFFFAOYSA-N 2 0 232.318 1.915 20 0 BDADRP CCN(CC[NH+](C)C)CC[NH+](CC)CC ZINC001208127139 969017641 /nfs/dbraw/zinc/01/76/41/969017641.db2.gz RMUAOCJNTMRMFX-UHFFFAOYSA-N 2 0 215.385 1.212 20 0 BDADRP CC[NH+](CC)C[C@@H](O)C[NH2+]C1CCC(F)CC1 ZINC001253175210 969099297 /nfs/dbraw/zinc/09/92/97/969099297.db2.gz GAQVAJGVNXYLKX-BPCQOVAHSA-N 2 0 246.370 1.559 20 0 BDADRP CC[NH+](CC)C[C@H](O)CN1CCC(C)(F)CC1 ZINC001253181875 969102410 /nfs/dbraw/zinc/10/24/10/969102410.db2.gz ZEXHUWCXHXXAPS-LBPRGKRZSA-N 2 0 246.370 1.513 20 0 BDADRP C[NH+](C)CC1(C[N@@H+]2CCC[C@H]2CO)CCCC1 ZINC001208185055 969118923 /nfs/dbraw/zinc/11/89/23/969118923.db2.gz UZRFMXHJFOOAAS-ZDUSSCGKSA-N 2 0 240.391 1.565 20 0 BDADRP CC[NH+]1CCC(C[NH+]2CCC(CO)CC2)CC1 ZINC001208592232 969148997 /nfs/dbraw/zinc/14/89/97/969148997.db2.gz FJGSRDAORZPEHR-UHFFFAOYSA-N 2 0 240.391 1.423 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001208592213 969149108 /nfs/dbraw/zinc/14/91/08/969149108.db2.gz DZRHKDDFCNNKDQ-OCCSQVGLSA-N 2 0 240.391 1.421 20 0 BDADRP CCCC[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253384499 969149554 /nfs/dbraw/zinc/14/95/54/969149554.db2.gz VWNQWDXPPORFDD-JTQLQIEISA-N 2 0 202.342 1.125 20 0 BDADRP CC[NH+]1CCC(C[N@H+]2C[C@H]3C[C@@H](C2)O3)CC1 ZINC001208598762 969151500 /nfs/dbraw/zinc/15/15/00/969151500.db2.gz XKDUNUBFDYTLTM-BETUJISGSA-N 2 0 224.348 1.191 20 0 BDADRP C[NH+](C)C1CCN(C[C@H]2CCC[N@H+](C)C2)CC1 ZINC001208605099 969153517 /nfs/dbraw/zinc/15/35/17/969153517.db2.gz YSKGWOYFVWCDFJ-ZDUSSCGKSA-N 2 0 239.407 1.354 20 0 BDADRP C[C@H]1C[N@H+](C[C@@H]2CCC[NH+](C)C2)CCCO1 ZINC001208605093 969153623 /nfs/dbraw/zinc/15/36/23/969153623.db2.gz YMZJTZUPPOWDEU-QWHCGFSZSA-N 2 0 226.364 1.439 20 0 BDADRP COC1CC[NH+](C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001208604405 969154637 /nfs/dbraw/zinc/15/46/37/969154637.db2.gz OJILWYQWKZWSJW-GFCCVEGCSA-N 2 0 226.364 1.439 20 0 BDADRP CO[C@@H]1CCC[N@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208604828 969154647 /nfs/dbraw/zinc/15/46/47/969154647.db2.gz WRUFQMIFOZCDPI-QWHCGFSZSA-N 2 0 226.364 1.439 20 0 BDADRP C[C@H]1CC[C@@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)CC1 ZINC001253408710 969163073 /nfs/dbraw/zinc/16/30/73/969163073.db2.gz HZBGLDAJAINYHJ-XQQFMLRXSA-N 2 0 242.407 1.904 20 0 BDADRP CCCC[C@@H](C)[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253411823 969165984 /nfs/dbraw/zinc/16/59/84/969165984.db2.gz XQDMZJCGCFBKNE-NEPJUHHUSA-N 2 0 230.396 1.904 20 0 BDADRP COC[C@@H]1CC[N@@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208616134 969172128 /nfs/dbraw/zinc/17/21/28/969172128.db2.gz ZIYVHUSSLWWNIP-NEPJUHHUSA-N 2 0 212.337 1.049 20 0 BDADRP C[C@@H]1CO[C@@H]2C[N@H+](C[C@@H]3CCC[NH+](C)C3)C[C@H]12 ZINC001208618300 969176625 /nfs/dbraw/zinc/17/66/25/969176625.db2.gz WAWJUOOJXGQHOR-AAVRWANBSA-N 2 0 238.375 1.295 20 0 BDADRP C[NH2+]Cc1cc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)ncn1 ZINC001242022134 969176731 /nfs/dbraw/zinc/17/67/31/969176731.db2.gz OSLMOHRZCSHDED-MNOVXSKESA-N 2 0 230.315 1.104 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccc[nH]c2=O)CCC[C@H]1C[NH3+] ZINC001205995845 969265987 /nfs/dbraw/zinc/26/59/87/969265987.db2.gz RBCYZLOXNIHVCX-RYUDHWBXSA-N 2 0 249.358 1.594 20 0 BDADRP [NH3+][C@@H]1CCN(c2ncccc2C[NH+]2CCCC2)C1 ZINC001156233375 969267465 /nfs/dbraw/zinc/26/74/65/969267465.db2.gz QXGPSVBVXXZVJD-CYBMUJFWSA-N 2 0 246.358 1.215 20 0 BDADRP [NH3+]CCc1cnn(-c2cccc3c2C[NH2+]CC3)c1 ZINC001168948903 969290433 /nfs/dbraw/zinc/29/04/33/969290433.db2.gz FGLZQWRLLJCFID-UHFFFAOYSA-N 2 0 242.326 1.019 20 0 BDADRP Cc1cc(-n2cc(CC[NH3+])cn2)cc(C)[nH+]1 ZINC001168950431 969290508 /nfs/dbraw/zinc/29/05/08/969290508.db2.gz VNFHHRDBPUBMGQ-UHFFFAOYSA-N 2 0 216.288 1.385 20 0 BDADRP CC(C)[C@@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169079183 969397984 /nfs/dbraw/zinc/39/79/84/969397984.db2.gz JIPSHRNSPQVNPT-YVECIDJPSA-N 2 0 226.364 1.218 20 0 BDADRP Cn1cnc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001169078742 969398606 /nfs/dbraw/zinc/39/86/06/969398606.db2.gz FUAGPHLOWHGDQR-ZSOGYDGISA-N 2 0 248.374 1.177 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1ccncc1)C2 ZINC001169081281 969401710 /nfs/dbraw/zinc/40/17/10/969401710.db2.gz PRUUDWSCFMHQLX-QKDCVEJESA-N 2 0 245.370 1.839 20 0 BDADRP CC(C)[C@@H](O)C[NH2+]CCc1c[nH]c2cc[nH+]cc12 ZINC001253783870 969403305 /nfs/dbraw/zinc/40/33/05/969403305.db2.gz ACQPGMAISUKJLC-AWEZNQCLSA-N 2 0 247.342 1.712 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1ccncc1)C2 ZINC001169081280 969403954 /nfs/dbraw/zinc/40/39/54/969403954.db2.gz PRUUDWSCFMHQLX-QDMKHBRRSA-N 2 0 245.370 1.839 20 0 BDADRP COC(C)(C)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169089546 969410139 /nfs/dbraw/zinc/41/01/39/969410139.db2.gz CHCKGXJDISCVIQ-CNDDSTCGSA-N 2 0 226.364 1.626 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@]1(C)CCOC1)C2 ZINC001169118278 969411837 /nfs/dbraw/zinc/41/18/37/969411837.db2.gz GOSPBEKEPWVOTD-FQUUOJAGSA-N 2 0 238.375 1.628 20 0 BDADRP CO[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169125447 969428085 /nfs/dbraw/zinc/42/80/85/969428085.db2.gz IPKBERFUHPEWEF-XJFOESAGSA-N 2 0 238.375 1.722 20 0 BDADRP C[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@@H]1O ZINC001169126969 969430381 /nfs/dbraw/zinc/43/03/81/969430381.db2.gz YNYABJPYUYOPNU-DGTMBMJNSA-N 2 0 238.375 1.314 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@](C)(O)C1)C2 ZINC001169127138 969431369 /nfs/dbraw/zinc/43/13/69/969431369.db2.gz ZYTKEHUATOLYML-MROQNXINSA-N 2 0 224.348 1.068 20 0 BDADRP CC[N@H+](CCOC)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169127087 969431546 /nfs/dbraw/zinc/43/15/46/969431546.db2.gz ZQMPWCGYWUCJIZ-CLLJXQQHSA-N 2 0 226.364 1.580 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](n1cnc3c1C[NH2+]CC3)C2 ZINC001169126513 969433689 /nfs/dbraw/zinc/43/36/89/969433689.db2.gz VOXYWARMTFOMKH-ZSBIGDGJSA-N 2 0 246.358 1.327 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1C[C@@H]3C[C@@H]3C1)C2 ZINC001169128993 969441321 /nfs/dbraw/zinc/44/13/21/969441321.db2.gz GQJRXMGEFHCNTL-CXYFJQCHSA-N 2 0 206.333 1.563 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCC(C)(C)O)C2 ZINC001169108674 969445058 /nfs/dbraw/zinc/44/50/58/969445058.db2.gz UYLSHHMWNYXWNY-XYYAHUGASA-N 2 0 240.391 1.752 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1COC(C)(C)C1)C2 ZINC001169112675 969455605 /nfs/dbraw/zinc/45/56/05/969455605.db2.gz RQXKNYCOWZQRBD-FVCCEPFGSA-N 2 0 238.375 1.769 20 0 BDADRP CCC[C@@H](CCO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169112835 969457000 /nfs/dbraw/zinc/45/70/00/969457000.db2.gz TYQXRXSZISWNDF-XDQVBPFNSA-N 2 0 240.391 1.752 20 0 BDADRP CN1CC2(C1)CC[N@@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169152209 969461940 /nfs/dbraw/zinc/46/19/40/969461940.db2.gz AWSRTPFYVUGKQH-BTTYYORXSA-N 2 0 249.402 1.249 20 0 BDADRP CN([C@H]1CC[N@H+](C)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169142847 969466667 /nfs/dbraw/zinc/46/66/67/969466667.db2.gz WUWYPGFOVNOBBB-CRWXNKLISA-N 2 0 237.391 1.248 20 0 BDADRP CSCC[N@H+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169153884 969474625 /nfs/dbraw/zinc/47/46/25/969474625.db2.gz LOZMRLVMSGOPEQ-ZSBIGDGJSA-N 2 0 228.405 1.906 20 0 BDADRP CC[NH+]1CCC(N(CC[NH3+])C(C)C)CC1 ZINC001169221439 969494755 /nfs/dbraw/zinc/49/47/55/969494755.db2.gz DOSRJTMUQSNRRG-UHFFFAOYSA-N 2 0 213.369 1.140 20 0 BDADRP C[C@@H]([NH3+])c1ccn(-c2ccc(C[NH+](C)C)cn2)n1 ZINC001169230649 969505453 /nfs/dbraw/zinc/50/54/53/969505453.db2.gz VFTMXDOTYJSALG-SNVBAGLBSA-N 2 0 245.330 1.349 20 0 BDADRP C[C@H]([NH3+])c1ccn(-c2cccc(C[NH+](C)C)n2)n1 ZINC001169231275 969506707 /nfs/dbraw/zinc/50/67/07/969506707.db2.gz HCYYDDYTXYUOKS-JTQLQIEISA-N 2 0 245.330 1.349 20 0 BDADRP C[C@H]([NH3+])c1ccn(-c2ccc3c(c2)C[NH2+]C3)n1 ZINC001169232199 969509095 /nfs/dbraw/zinc/50/90/95/969509095.db2.gz AQWTWOUOWMVFKO-VIFPVBQESA-N 2 0 228.299 1.495 20 0 BDADRP CC[NH+]1CCC(N(C(C)C)C(C)(C)C[NH3+])CC1 ZINC001169244413 969530314 /nfs/dbraw/zinc/53/03/14/969530314.db2.gz NKPJZNLNAUUYHF-UHFFFAOYSA-N 2 0 241.423 1.918 20 0 BDADRP C[NH+](C)CC(C)(C)CN1CC2(C1)CC[N@H+](C)C2 ZINC001276657722 969567481 /nfs/dbraw/zinc/56/74/81/969567481.db2.gz ATAPPTMBTOVFCK-UHFFFAOYSA-N 2 0 239.407 1.212 20 0 BDADRP C[N@@H+]1C[C@H]2CCCN(Cc3c[nH+]ccc3N)[C@@H]2C1 ZINC001209729936 969587907 /nfs/dbraw/zinc/58/79/07/969587907.db2.gz BQTNPOTTWQTCBF-BXUZGUMPSA-N 2 0 246.358 1.020 20 0 BDADRP CC[N@H+](C)C1CCN(Cc2c[nH+]ccc2N)CC1 ZINC001209733185 969595888 /nfs/dbraw/zinc/59/58/88/969595888.db2.gz QQGPLYRUDVDPEE-UHFFFAOYSA-N 2 0 248.374 1.410 20 0 BDADRP Nc1cc[nH+]cc1CN1CC[NH+](CC2CC2)CC1 ZINC001209734212 969597906 /nfs/dbraw/zinc/59/79/06/969597906.db2.gz OGKORCRXOSRGJT-UHFFFAOYSA-N 2 0 246.358 1.022 20 0 BDADRP Cc1nc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c[nH]1 ZINC001206011829 969634483 /nfs/dbraw/zinc/63/44/83/969634483.db2.gz GTFKVFVZHAJGTQ-CMPLNLGQSA-N 2 0 236.363 1.525 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+]C2(C)CCOCC2)CC1 ZINC001254497493 969657115 /nfs/dbraw/zinc/65/71/15/969657115.db2.gz KGUAZRTWDLDEFP-LBPRGKRZSA-N 2 0 226.364 1.629 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+]C2(CO)CCCC2)CC1 ZINC001254500129 969657712 /nfs/dbraw/zinc/65/77/12/969657712.db2.gz FSLLPIHJINZEAM-LBPRGKRZSA-N 2 0 226.364 1.365 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+]C[C@H](O)c2ccco2)CC1 ZINC001254497843 969657733 /nfs/dbraw/zinc/65/77/33/969657733.db2.gz OGZWIIFXONFDIS-RYUDHWBXSA-N 2 0 238.331 1.387 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CC[C@@H](F)C2)CC1 ZINC001254498353 969662786 /nfs/dbraw/zinc/66/27/86/969662786.db2.gz WSRMGWAYPIFDPV-IJLUTSLNSA-N 2 0 214.328 1.951 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+][C@H]2C[C@@H](F)C2)CC1 ZINC001254502806 969666897 /nfs/dbraw/zinc/66/68/97/969666897.db2.gz HFXMCIWAVABMMS-GARJFASQSA-N 2 0 200.301 1.561 20 0 BDADRP C[N@@H+]1CCC[C@H](N(CC[NH3+])c2ccccn2)CC1 ZINC001254506450 969675277 /nfs/dbraw/zinc/67/52/77/969675277.db2.gz SNKFBJNCSUVPAD-ZDUSSCGKSA-N 2 0 248.374 1.331 20 0 BDADRP C[C@@H]1COCC[N@@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254515677 969679080 /nfs/dbraw/zinc/67/90/80/969679080.db2.gz AQCCMOCDRRFTBB-STQMWFEESA-N 2 0 226.364 1.439 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+][C@@]2(C)CCOC2)CC1 ZINC001254512197 969682947 /nfs/dbraw/zinc/68/29/47/969682947.db2.gz KGYLEINKYXRCMR-RYUDHWBXSA-N 2 0 212.337 1.239 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+]C[C@H](O)c2ccncc2)CC1 ZINC001254514031 969689960 /nfs/dbraw/zinc/68/99/60/969689960.db2.gz IOSFZCKXGDZUBC-KBPBESRZSA-N 2 0 249.358 1.189 20 0 BDADRP CC[N@@H+]1CCN([C@H]2CCC[NH+](C)CC2)[C@H](C)C1 ZINC001254531167 969725315 /nfs/dbraw/zinc/72/53/15/969725315.db2.gz FNQAIIHYPJCOTJ-KGLIPLIRSA-N 2 0 239.407 1.497 20 0 BDADRP CC[N@@H+]1C[C@@H]2C[C@H]1CN2[C@@H]1CCC[NH+](C)CC1 ZINC001254531085 969731035 /nfs/dbraw/zinc/73/10/35/969731035.db2.gz CXCNWUCTCLYSRX-RDBSUJKOSA-N 2 0 237.391 1.249 20 0 BDADRP C[C@@H]1CO[C@@H]2C[N@@H+]([C@H]3CCC[NH+](C)CC3)C[C@H]12 ZINC001254530198 969733125 /nfs/dbraw/zinc/73/31/25/969733125.db2.gz UZCBCRSHOZAPCD-XJFOESAGSA-N 2 0 238.375 1.437 20 0 BDADRP Cc1cnc(CC[NH3+])n1[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254837417 969799492 /nfs/dbraw/zinc/79/94/92/969799492.db2.gz UKZBNWIJFVLAEU-CYBMUJFWSA-N 2 0 248.374 1.350 20 0 BDADRP C1CC1[NH+]1CCN([C@@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254853329 969808562 /nfs/dbraw/zinc/80/85/62/969808562.db2.gz MZSIBEPCCJRMDG-OAHLLOKOSA-N 2 0 249.402 1.251 20 0 BDADRP CN([C@H]1CC[N@H+](C)C1)[C@H]1CC2CC[NH+](CC2)C1 ZINC001254859128 969811652 /nfs/dbraw/zinc/81/16/52/969811652.db2.gz BVDIFLXHDVKWDS-KBPBESRZSA-N 2 0 237.391 1.107 20 0 BDADRP CCC[N@H+](CCC[NH3+])[C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254922873 969821467 /nfs/dbraw/zinc/82/14/67/969821467.db2.gz XCMSSRAECNZVHO-ITGUQSILSA-N 2 0 238.375 1.805 20 0 BDADRP [NH3+]Cc1ccn(-c2ccc([C@@H]3CCC[NH2+]3)cn2)c1 ZINC001169716845 969832845 /nfs/dbraw/zinc/83/28/45/969832845.db2.gz RBXWCTCXHYYTNU-ZDUSSCGKSA-N 2 0 242.326 1.756 20 0 BDADRP CC(C)([NH3+])C(C)(C)[NH2+]C1CCOCC1 ZINC001255035204 969857026 /nfs/dbraw/zinc/85/70/26/969857026.db2.gz DGVLCRJTHFSSNX-UHFFFAOYSA-N 2 0 200.326 1.271 20 0 BDADRP C/C(=C\C=C\N)[NH2+]CC12CC[NH+](CC1)CC2 ZINC001169796941 969861137 /nfs/dbraw/zinc/86/11/37/969861137.db2.gz VXYCQFBMVDVPAJ-GUTWREQSSA-N 2 0 221.348 1.438 20 0 BDADRP C[C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)CC[NH2+]1 ZINC001210474222 969899820 /nfs/dbraw/zinc/89/98/20/969899820.db2.gz DXWWCQRCDOWHLE-GFCCVEGCSA-N 3 0 225.380 1.060 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001210476001 969900682 /nfs/dbraw/zinc/90/06/82/969900682.db2.gz QTLJQMJQCUVQPT-CHWSQXEVSA-N 3 0 225.380 1.060 20 0 BDADRP CC1(C)CC([NH2+]CCCC[NH3+])CC(C)(C)N1O ZINC001169972988 969912857 /nfs/dbraw/zinc/91/28/57/969912857.db2.gz HFLKBUZIRJHCCZ-UHFFFAOYSA-N 2 0 243.395 1.726 20 0 BDADRP C[N@H+]1C[C@@H]2C[NH+](C3CCSCC3)C[C@@H]2C1 ZINC001255094438 969933058 /nfs/dbraw/zinc/93/30/58/969933058.db2.gz YMZMWCBFHLBXDM-PHIMTYICSA-N 2 0 226.389 1.375 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]C1CC(C)(C)N(O)C(C)(C)C1 ZINC001169982456 969937259 /nfs/dbraw/zinc/93/72/59/969937259.db2.gz NHNGLRNHDDRQOX-JTQLQIEISA-N 2 0 243.395 1.582 20 0 BDADRP Cc1cnc(CC[NH3+])n1[C@H]1CCSC1 ZINC001255268873 970020345 /nfs/dbraw/zinc/02/03/45/970020345.db2.gz RGUZTWMMGXNSBY-VIFPVBQESA-N 2 0 211.334 1.371 20 0 BDADRP C[NH+](C)CCCN(CCC[NH3+])[C@H]1CCSC1 ZINC001255272020 970023489 /nfs/dbraw/zinc/02/34/89/970023489.db2.gz OHBHYROJTBCIPF-LBPRGKRZSA-N 2 0 245.436 1.094 20 0 BDADRP C[NH2+]CCNc1ccc(C[NH+]2CCCC2)cn1 ZINC001156893554 970024628 /nfs/dbraw/zinc/02/46/28/970024628.db2.gz KOGZGDIPPFYOLF-UHFFFAOYSA-N 2 0 234.347 1.309 20 0 BDADRP COCCC1([NH3+])CC[NH+]([C@@H]2CCSC2)CC1 ZINC001255274619 970024579 /nfs/dbraw/zinc/02/45/79/970024579.db2.gz CZHGINVBUQDVJK-LLVKDONJSA-N 2 0 244.404 1.322 20 0 BDADRP C[N@@H+]1CC[C@@H](n2ccc3cc(C[NH3+])cnc32)C1 ZINC001255412611 970130523 /nfs/dbraw/zinc/13/05/23/970130523.db2.gz TUYKWVYFHJIDHB-GFCCVEGCSA-N 2 0 230.315 1.372 20 0 BDADRP C[N@@H+]1CC[C@H](n2ccc3ccc(C[NH3+])cc32)C1 ZINC001255411355 970131411 /nfs/dbraw/zinc/13/14/11/970131411.db2.gz GJHFJLDEFHMXCE-ZDUSSCGKSA-N 2 0 229.327 1.977 20 0 BDADRP C[N@@H+]1CC[C@@H](N2C[C@H]([NH3+])Cc3ccccc32)C1 ZINC001255412786 970131485 /nfs/dbraw/zinc/13/14/85/970131485.db2.gz SELBLAUHKJADHB-CHWSQXEVSA-N 2 0 231.343 1.081 20 0 BDADRP C[N@@H+]1CC[C@H](n2cnc3ccc(C[NH3+])cc32)C1 ZINC001255415792 970134038 /nfs/dbraw/zinc/13/40/38/970134038.db2.gz QFODLSGZGQLOCR-NSHDSACASA-N 2 0 230.315 1.372 20 0 BDADRP C[N@@H+]1CC[C@@H](n2c3ccccc3nc2C[NH3+])C1 ZINC001255414528 970135667 /nfs/dbraw/zinc/13/56/67/970135667.db2.gz XPDRGBXXTCVHBA-SNVBAGLBSA-N 2 0 230.315 1.372 20 0 BDADRP CN1CC[C@H]([NH2+]C2CCC(CC[NH3+])CC2)C1 ZINC001255422440 970145865 /nfs/dbraw/zinc/14/58/65/970145865.db2.gz YFULHXQCMGVNII-BPCQOVAHSA-N 2 0 225.380 1.188 20 0 BDADRP C[N@@H+]1CC[C@@H](N2CCC([NH+]3CCCC3)CC2)C1 ZINC001255433339 970161770 /nfs/dbraw/zinc/16/17/70/970161770.db2.gz YOLYYEGRCCFBFT-CQSZACIVSA-N 2 0 237.391 1.251 20 0 BDADRP CC(C)[N@H+](C)[C@@H]1CCN([C@@H]2CC[NH+](C)C2)C1 ZINC001255441037 970172399 /nfs/dbraw/zinc/17/23/99/970172399.db2.gz KFUROTQXKMMROZ-CHWSQXEVSA-N 2 0 225.380 1.105 20 0 BDADRP COC1CCC([NH2+]CCSCC[NH3+])CC1 ZINC001255451724 970184136 /nfs/dbraw/zinc/18/41/36/970184136.db2.gz REXYGUDVJJXSJZ-UHFFFAOYSA-N 2 0 232.393 1.226 20 0 BDADRP CC[NH+](CC)CCCC[NH2+][C@H]1CCCN(C)C1 ZINC001255468238 970194900 /nfs/dbraw/zinc/19/49/00/970194900.db2.gz PYWSVTMMZZKHJR-AWEZNQCLSA-N 2 0 241.423 1.792 20 0 BDADRP C[N@@H+]1CCC[C@@H](n2ccc3cc(C[NH3+])cnc32)C1 ZINC001255469519 970199785 /nfs/dbraw/zinc/19/97/85/970199785.db2.gz CEVHCTMZNQELTI-CYBMUJFWSA-N 2 0 244.342 1.762 20 0 BDADRP C[N@@H+]1CCC[C@@H](n2nnc3ccc(C[NH3+])cc32)C1 ZINC001255471811 970200790 /nfs/dbraw/zinc/20/07/90/970200790.db2.gz HGDXPSBBUVFCCS-LLVKDONJSA-N 2 0 245.330 1.157 20 0 BDADRP CN1CCC[C@H]([NH2+][C@H]2CC[C@@H]([NH+](C)C)CC2)C1 ZINC001255478371 970214392 /nfs/dbraw/zinc/21/43/92/970214392.db2.gz UUKXWMUXFBLKLU-MELADBBJSA-N 2 0 239.407 1.543 20 0 BDADRP CC(C)(C)C1CCC([NH2+]C[C@@H](O)C[NH3+])CC1 ZINC001255496566 970260235 /nfs/dbraw/zinc/26/02/35/970260235.db2.gz WRRLRUDEVUTBJE-MCIGGMRASA-N 2 0 228.380 1.501 20 0 BDADRP C[C@H]1CC[C@H](NC(=[NH2+])SCC[NH3+])C1 ZINC001170102838 970304417 /nfs/dbraw/zinc/30/44/17/970304417.db2.gz CXXZAPRRMOAKFX-YUMQZZPRSA-N 2 0 201.339 1.391 20 0 BDADRP [NH3+][C@H]1CCc2c1cccc2C1=CC[NH2+]C1 ZINC001243110206 970351275 /nfs/dbraw/zinc/35/12/75/970351275.db2.gz BKQGXLYJXQTCQI-ZDUSSCGKSA-N 2 0 200.285 1.619 20 0 BDADRP COC[C@H](C)[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001255579140 970382965 /nfs/dbraw/zinc/38/29/65/970382965.db2.gz STKSSECYJKHIET-ZDUSSCGKSA-N 2 0 249.358 1.547 20 0 BDADRP C[C@H]1CC[C@H]([N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC001170147741 970442850 /nfs/dbraw/zinc/44/28/50/970442850.db2.gz FFXNSMWFIRYZNB-RVMXOQNASA-N 2 0 208.349 1.668 20 0 BDADRP CC[C@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)CCO1 ZINC001170169681 970544326 /nfs/dbraw/zinc/54/43/26/970544326.db2.gz OZEKCYFLCXXNNV-MCIONIFRSA-N 2 0 240.391 1.875 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]CC[C@@H](C)O ZINC001255950744 970567457 /nfs/dbraw/zinc/56/74/57/970567457.db2.gz KOSJEKZFTWJVBI-VXGBXAGGSA-N 2 0 216.369 1.467 20 0 BDADRP CC[C@@H](COC)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000400316694 970573327 /nfs/dbraw/zinc/57/33/27/970573327.db2.gz AEDNEPZRDPKTNY-PWSUYJOCSA-N 2 0 214.353 1.389 20 0 BDADRP C[C@@H]([NH2+]Cc1cccnc1)C1CC[NH2+]CC1 ZINC000400336754 970577402 /nfs/dbraw/zinc/57/74/02/970577402.db2.gz DMISUKDWZXMSRJ-LLVKDONJSA-N 2 0 219.332 1.559 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N1CCC[C@@H]([NH3+])C1 ZINC001255942035 970578301 /nfs/dbraw/zinc/57/83/01/970578301.db2.gz BHCZZPPUEVEBGN-QWHCGFSZSA-N 2 0 227.396 1.530 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]C[C@H]1C[C@@H](O)C1 ZINC001255946338 970581591 /nfs/dbraw/zinc/58/15/91/970581591.db2.gz SLLGWNDVBIVSOK-UPJWGTAASA-N 2 0 228.380 1.467 20 0 BDADRP COC[C@H](C)C[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000400345501 970581756 /nfs/dbraw/zinc/58/17/56/970581756.db2.gz KDNZXFRDUWWXSK-GHMZBOCLSA-N 2 0 214.353 1.247 20 0 BDADRP C[C@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)C1CC[NH2+]CC1 ZINC000400468701 970593356 /nfs/dbraw/zinc/59/33/56/970593356.db2.gz XAIICRCUICEIGE-DYEKYZERSA-N 2 0 239.407 1.447 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCO[C@H](C)C1)C1CC[NH2+]CC1 ZINC000400668387 970618109 /nfs/dbraw/zinc/61/81/09/970618109.db2.gz RKFXUOIUTQSEEA-NQBHXWOUSA-N 2 0 226.364 1.532 20 0 BDADRP C1CC1[NH+]1CCC(N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC001256077125 970650164 /nfs/dbraw/zinc/65/01/64/970650164.db2.gz MMEKDJQPEHKTTE-HNNXBMFYSA-N 2 0 249.402 1.393 20 0 BDADRP c1cncc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000401088939 970660050 /nfs/dbraw/zinc/66/00/50/970660050.db2.gz WRZDLKOFVSALKF-QLFBSQMISA-N 2 0 245.370 1.602 20 0 BDADRP C[NH+]1CCC(Nc2ccc(C[NH3+])c(F)c2)CC1 ZINC001256201898 970695485 /nfs/dbraw/zinc/69/54/85/970695485.db2.gz SHCRRKYNDKFOIO-UHFFFAOYSA-N 2 0 237.322 1.791 20 0 BDADRP COCC[C@@H]1CCCC[N@@H+]1C1CCN(C)CC1 ZINC001256207621 970711166 /nfs/dbraw/zinc/71/11/66/970711166.db2.gz OPGZFMGFKQSMBZ-ZDUSSCGKSA-N 2 0 240.391 1.972 20 0 BDADRP CN1CCC([N@@H+]2CC[C@]3(CC3(F)F)C2)CC1 ZINC001256207753 970711945 /nfs/dbraw/zinc/71/19/45/970711945.db2.gz SMJDPPIIWJMKIX-NSHDSACASA-N 2 0 230.302 1.812 20 0 BDADRP COC(C)(C)CC[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222531937 972545675 /nfs/dbraw/zinc/54/56/75/972545675.db2.gz FZQCJRWHMNXTOA-UHFFFAOYSA-N 2 0 232.343 1.564 20 0 BDADRP [NH3+]CC1(F)CC[NH+](Cc2cccc(O)c2)CC1 ZINC001222533367 972552713 /nfs/dbraw/zinc/55/27/13/972552713.db2.gz VQYXZXOKTLURED-UHFFFAOYSA-N 2 0 238.306 1.655 20 0 BDADRP Cc1nc(C)c(C[NH+]2CCC(F)(C[NH3+])CC2)[nH]1 ZINC001222548550 972558124 /nfs/dbraw/zinc/55/81/24/972558124.db2.gz QWBQSUQEKUXOKO-UHFFFAOYSA-N 2 0 240.326 1.289 20 0 BDADRP Cc1ncncc1C[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222552432 972564756 /nfs/dbraw/zinc/56/47/56/972564756.db2.gz CUYOCJKVAZARFY-UHFFFAOYSA-N 2 0 238.310 1.048 20 0 BDADRP C[C@H]1C[C@H]([N@@H+]2CCC[C@](F)(C[NH3+])CC2)CC[NH2+]1 ZINC001246545291 972629077 /nfs/dbraw/zinc/62/90/77/972629077.db2.gz ASNPHBOTKZCUNO-YNEHKIRRSA-N 3 0 243.370 1.280 20 0 BDADRP C[C@H]1CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1C[NH3+] ZINC001246547361 972669807 /nfs/dbraw/zinc/66/98/07/972669807.db2.gz CSWRJCXTBNEPDD-CSHRUCKSSA-N 2 0 237.391 1.186 20 0 BDADRP C[NH2+]C[C@@H]1CCCN([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246549897 972703995 /nfs/dbraw/zinc/70/39/95/972703995.db2.gz KXSPNYLKJLWUGK-FRRDWIJNSA-N 2 0 225.380 1.058 20 0 BDADRP C[NH2+][C@@H](C)CCN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC001327839655 972753267 /nfs/dbraw/zinc/75/32/67/972753267.db2.gz JTQAFEYKFFTJQG-TUAOUCFPSA-N 2 0 213.369 1.105 20 0 BDADRP C[NH2+][C@@H](C)CC[NH2+][C@@H](COC)CC(C)C ZINC001327838379 972756668 /nfs/dbraw/zinc/75/66/68/972756668.db2.gz GHWYAIGLIIKIPT-NWDGAFQWSA-N 2 0 216.369 1.635 20 0 BDADRP [NH3+]C[C@H]1C[N@@H+]([C@H]2C[C@H]3C[C@H]3C2)CCC1(F)F ZINC001246557500 972772211 /nfs/dbraw/zinc/77/22/11/972772211.db2.gz LWWWNLNSTRUFKB-ZRUFSTJUSA-N 2 0 230.302 1.701 20 0 BDADRP C[C@@H]1CC[C@H](C[NH3+])N([C@@H]2CCCC[NH2+]C2)C1 ZINC001246557611 972776434 /nfs/dbraw/zinc/77/64/34/972776434.db2.gz MRHQIGADZYIBBE-JHJVBQTASA-N 2 0 225.380 1.188 20 0 BDADRP C[C@H]1C[C@@H]([N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CC(C)(C)C1 ZINC001246558380 972778189 /nfs/dbraw/zinc/77/81/89/972778189.db2.gz LFDVAULTUBDDND-UMSGYPCISA-N 2 0 240.391 1.595 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](F)CC2)CC[NH2+]1 ZINC001246558998 972782572 /nfs/dbraw/zinc/78/25/72/972782572.db2.gz NOLDZASYWKXFNV-WOPDTQHZSA-N 2 0 214.328 1.951 20 0 BDADRP C[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2)CCC[C@H]1C[NH3+] ZINC001246569692 972822815 /nfs/dbraw/zinc/82/28/15/972822815.db2.gz RXMVFMXUZAWVDG-HZSPNIEDSA-N 2 0 239.407 1.387 20 0 BDADRP C[C@@H]1C[N@@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)CCN1 ZINC001246574094 972866445 /nfs/dbraw/zinc/86/64/45/972866445.db2.gz JWIZBNGPAPHKST-CHWSQXEVSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@@H+]([C@@H]2CCSC2)CC1 ZINC001246577897 972895421 /nfs/dbraw/zinc/89/54/21/972895421.db2.gz QQTDZFMIVKABQH-VXGBXAGGSA-N 2 0 228.405 1.943 20 0 BDADRP C[C@@H]1CC[C@H](N2CCCC[C@@](C)(C[NH3+])C2)C[NH2+]1 ZINC001246584484 972963631 /nfs/dbraw/zinc/96/36/31/972963631.db2.gz NECICLHYCQEJQO-RDBSUJKOSA-N 2 0 239.407 1.578 20 0 BDADRP C[NH2+]C1CCC([N@H+]2CC[C@@H](F)[C@@H](N)CC2)CC1 ZINC001246587349 972980182 /nfs/dbraw/zinc/98/01/82/972980182.db2.gz NZZHXYRLOVRLPJ-TUUUFIMRSA-N 2 0 243.370 1.278 20 0 BDADRP C1CC[C@]2(CCCN([C@H]3CCC[NH2+]C3)C2)[NH2+]C1 ZINC001246617119 973037016 /nfs/dbraw/zinc/03/70/16/973037016.db2.gz YBAOPLPJEOMNQT-UONOGXRCSA-N 2 0 237.391 1.347 20 0 BDADRP CO[C@H]1CCC[C@@H]([N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)C1 ZINC001246637732 973056225 /nfs/dbraw/zinc/05/62/25/973056225.db2.gz JAMYRKQKNUTUBY-YVECIDJPSA-N 2 0 224.348 1.380 20 0 BDADRP [NH3+][C@@]12C[C@@H]1CCN([C@@H]1CCC3(C1)CC[NH2+]CC3)C2 ZINC001246654360 973068410 /nfs/dbraw/zinc/06/84/10/973068410.db2.gz KCCOMLZIYOQGMS-GZBFAFLISA-N 2 0 249.402 1.332 20 0 BDADRP C1C[C@]2(C[NH2+]1)CCC[C@H](N1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246672396 973080567 /nfs/dbraw/zinc/08/05/67/973080567.db2.gz DVNDWGRJIILQPT-LJISPDSOSA-N 2 0 249.402 1.345 20 0 BDADRP CC[C@H]1CN([C@H]2CC[NH2+][C@H](C(C)C)C2)CC[NH2+]1 ZINC001246801592 973101852 /nfs/dbraw/zinc/10/18/52/973101852.db2.gz HWKROZAGEPNZDL-IHRRRGAJSA-N 2 0 239.407 1.447 20 0 BDADRP C1[NH2+]CC12C[C@H]([N@H+]1C[C@@H]3CCC[C@@H](C3)C1)CCN2 ZINC001246833671 973133386 /nfs/dbraw/zinc/13/33/86/973133386.db2.gz PKHVNOFIWYOMPX-HZSPNIEDSA-N 2 0 249.402 1.202 20 0 BDADRP Cc1nc2c(n1[C@@H]1CC[C@H](C)[NH2+]C1)C[NH2+]CC2 ZINC001246859520 973168270 /nfs/dbraw/zinc/16/82/70/973168270.db2.gz GABYITICOHNROF-GXSJLCMTSA-N 2 0 234.347 1.150 20 0 BDADRP C[C@@H]1CC[C@H](n2cncc2C2CC[NH2+]CC2)C[NH2+]1 ZINC001246862817 973180609 /nfs/dbraw/zinc/18/06/09/973180609.db2.gz DSWFWFUJKMAJBI-YPMHNXCESA-N 2 0 248.374 1.663 20 0 BDADRP CC(C)[C@@H]1C[C@H](N(C2CC2)C2C[NH2+]C2)CC[NH2+]1 ZINC001246861828 973181260 /nfs/dbraw/zinc/18/12/60/973181260.db2.gz FAIXHXIVLARTDX-OCCSQVGLSA-N 2 0 237.391 1.199 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1C[C@@H]3C[C@]3([NH3+])C1)C2 ZINC001246867273 973236845 /nfs/dbraw/zinc/23/68/45/973236845.db2.gz HRLPYVQSAPWOKP-QNSTZXKLSA-N 2 0 235.375 1.035 20 0 BDADRP C[C@H]1CN([C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)[C@@H](C)C[NH2+]1 ZINC001246870278 973251628 /nfs/dbraw/zinc/25/16/28/973251628.db2.gz KBVLQDBTKOGHNF-QSLWVIQJSA-N 2 0 237.391 1.342 20 0 BDADRP [NH3+]CC1CCC([NH2+]CCOc2cccnc2)CC1 ZINC001329023501 973432932 /nfs/dbraw/zinc/43/29/32/973432932.db2.gz JHUVSZDOJXIHOA-UHFFFAOYSA-N 2 0 249.358 1.568 20 0 BDADRP CC[C@@H]1C[C@@H](N(C)[C@]2(C)CCC[NH2+]C2)CC[NH2+]1 ZINC001246916852 973467229 /nfs/dbraw/zinc/46/72/29/973467229.db2.gz YCKUTOGFXFJCNR-HZSPNIEDSA-N 2 0 239.407 1.591 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)N1C[C@H]2C[NH2+]C[C@@H]21 ZINC001246920019 973491188 /nfs/dbraw/zinc/49/11/88/973491188.db2.gz OHARKKSWDRCHPN-MJBXVCDLSA-N 2 0 239.407 1.401 20 0 BDADRP CC[C@@H]1CC(N2C[C@@H]3C[NH2+][C@@H]3C2)C[C@@H](CC)[NH2+]1 ZINC001246921577 973525937 /nfs/dbraw/zinc/52/59/37/973525937.db2.gz SUCWOAKGXWSKET-FMCLSXCISA-N 2 0 237.391 1.199 20 0 BDADRP C[N@@H+]1CC[C@H](OCC2CC[NH+](C)CC2)C1 ZINC001224449912 973654216 /nfs/dbraw/zinc/65/42/16/973654216.db2.gz KNGKRUHYIAVZOE-LBPRGKRZSA-N 2 0 212.337 1.049 20 0 BDADRP CCCN(C[C@H]1CC[NH2+]C1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246996101 973784402 /nfs/dbraw/zinc/78/44/02/973784402.db2.gz QQFJMVGSLABXJS-RDBSUJKOSA-N 2 0 239.407 1.448 20 0 BDADRP CC1(C)C[C@@H](N2CC[NH2+]C3=CCCC[C@H]32)CC[NH2+]1 ZINC001246998472 973793812 /nfs/dbraw/zinc/79/38/12/973793812.db2.gz XHASJDNJJNKFDA-GXTWGEPZSA-N 2 0 249.402 1.859 20 0 BDADRP Cc1ccncc1-c1noc([C@H](N)CCC[NH3+])n1 ZINC001247510240 973971705 /nfs/dbraw/zinc/97/17/05/973971705.db2.gz YQTLIDUOTUUEKN-SNVBAGLBSA-N 2 0 247.302 1.179 20 0 BDADRP C[C@H]([NH3+])c1ccc(Nc2nccnc2C[NH3+])cn1 ZINC001171448040 974070416 /nfs/dbraw/zinc/07/04/16/974070416.db2.gz AMQLFZADLMXEIS-QMMMGPOBSA-N 2 0 244.302 1.094 20 0 BDADRP C[NH+]1C(C)(C)CC([NH2+]C(C)(C)CO)CC1(C)C ZINC001171616433 974114246 /nfs/dbraw/zinc/11/42/46/974114246.db2.gz CBIPGPYNCJOFOT-UHFFFAOYSA-N 2 0 242.407 1.998 20 0 BDADRP C[C@@H](C[NH3+])C[N@H+](C)[C@@H]1Cc2cccc(F)c2C1 ZINC001171784117 974169456 /nfs/dbraw/zinc/16/94/56/974169456.db2.gz XAZUNZGMRPQENI-CMPLNLGQSA-N 2 0 236.334 1.820 20 0 BDADRP C[C@H](C[NH3+])C[N@H+](C)[C@H]1Cc2cccc(F)c2C1 ZINC001171784119 974170269 /nfs/dbraw/zinc/17/02/69/974170269.db2.gz XAZUNZGMRPQENI-PWSUYJOCSA-N 2 0 236.334 1.820 20 0 BDADRP C[N@@H+]1CCC[C@H](CN2CC[C@@H]([NH3+])[C@H](F)CC2)C1 ZINC001206156413 974336103 /nfs/dbraw/zinc/33/61/03/974336103.db2.gz QOJBXOQDGKMBQV-YNEHKIRRSA-N 2 0 243.370 1.089 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1cncc1C[NH3+])C2 ZINC001172100436 974344151 /nfs/dbraw/zinc/34/41/51/974344151.db2.gz QNSOTPVUECKHKF-GDNZZTSVSA-N 2 0 234.347 1.530 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCO[C@H]3C[C@H]31)C2 ZINC001172130530 974355611 /nfs/dbraw/zinc/35/56/11/974355611.db2.gz PSDBSUZRJIBNEF-HTOAHKCRSA-N 2 0 236.359 1.475 20 0 BDADRP COC(=O)CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172107503 974366821 /nfs/dbraw/zinc/36/68/21/974366821.db2.gz YXAVWSQJRCZVFE-CNDDSTCGSA-N 2 0 240.347 1.154 20 0 BDADRP COC(C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)OC ZINC001172106246 974369630 /nfs/dbraw/zinc/36/96/30/974369630.db2.gz OBONQEUZCLWXCO-ZSBIGDGJSA-N 2 0 242.363 1.210 20 0 BDADRP CC1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172109495 974376523 /nfs/dbraw/zinc/37/65/23/974376523.db2.gz DMIYCQHRYFJSAU-CLLJXQQHSA-N 2 0 208.349 1.953 20 0 BDADRP C[NH+](C)C1CN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172113625 974386128 /nfs/dbraw/zinc/38/61/28/974386128.db2.gz LCMCLIWNBPCRAI-CLLJXQQHSA-N 2 0 237.391 1.248 20 0 BDADRP C[NH+]1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172216648 974441638 /nfs/dbraw/zinc/44/16/38/974441638.db2.gz MBLNFNNOEIEGFW-AGUYFDCRSA-N 2 0 238.375 1.628 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172219347 974449200 /nfs/dbraw/zinc/44/92/00/974449200.db2.gz PEBWKJPJEFLYPK-CPIKKWJDSA-N 2 0 238.375 1.770 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172231800 974473681 /nfs/dbraw/zinc/47/36/81/974473681.db2.gz ZBRVGMOZOBOTPV-PBNFFQIGSA-N 2 0 236.359 1.546 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+]C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172233390 974477167 /nfs/dbraw/zinc/47/71/67/974477167.db2.gz XATKDIHFZANEMA-RLAWYHOSSA-N 2 0 236.359 1.546 20 0 BDADRP [NH3+]C1CC([NH2+][C@H]2CSc3ccccc3C2)C1 ZINC001172196141 974484208 /nfs/dbraw/zinc/48/42/08/974484208.db2.gz INUWFOCJRJREJS-HTAVTVPLSA-N 2 0 234.368 1.783 20 0 BDADRP C[C@@H]1CN(C)CC[C@@H]1[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172235476 974496189 /nfs/dbraw/zinc/49/61/89/974496189.db2.gz BCDBSHGDEXYZMC-JWURUJNWSA-N 2 0 236.359 1.402 20 0 BDADRP COCCC[NH+]1CCC([NH2+][C@@H]2C[C@H]2C)CC1 ZINC001172243772 974510005 /nfs/dbraw/zinc/51/00/05/974510005.db2.gz SCTHAYHXRJZVBM-DGCLKSJQSA-N 2 0 226.364 1.485 20 0 BDADRP CC[C@H](C)OCC[C@@H](C)[NH2+]C[C@@H](C)C[NH3+] ZINC001172327194 974540852 /nfs/dbraw/zinc/54/08/52/974540852.db2.gz DFUYXYNSQVSYRS-TUAOUCFPSA-N 2 0 216.369 1.765 20 0 BDADRP C[NH+]1CCC2(C[NH+]([C@H]3COC(C)(C)C3)C2)CC1 ZINC001172290536 974557404 /nfs/dbraw/zinc/55/74/04/974557404.db2.gz DADUVWMYGLJKCV-GFCCVEGCSA-N 2 0 238.375 1.582 20 0 BDADRP CC[N@H+]1C[C@@H]2C[NH+]([C@H]3COC(C)(C)C3)C[C@@H]2C1 ZINC001172294560 974567139 /nfs/dbraw/zinc/56/71/39/974567139.db2.gz MXQQOZUIEVDWNN-FRRDWIJNSA-N 2 0 238.375 1.437 20 0 BDADRP C[N@@H+]1CC[C@H](NCC2(C)OCCO2)CC1(C)C ZINC001331277001 974668180 /nfs/dbraw/zinc/66/81/80/974668180.db2.gz DOFGFCYHAXSCPN-NSHDSACASA-N 2 0 242.363 1.212 20 0 BDADRP CCOCC[C@H](C)N1CCC[C@H]([NH3+])C1 ZINC001172412589 974677399 /nfs/dbraw/zinc/67/73/99/974677399.db2.gz ZFOOMLLWZJTGNO-QWRGUYRKSA-N 2 0 200.326 1.225 20 0 BDADRP CCOCC[C@@H](C)[N@@H+]1CCC[C@H]1CN ZINC001172412306 974678013 /nfs/dbraw/zinc/67/80/13/974678013.db2.gz SZSQMNMVIOHIAU-MNOVXSKESA-N 2 0 200.326 1.225 20 0 BDADRP C[C@@H]([NH3+])[C@H](C)[NH2+]CCc1ccc(F)cc1F ZINC001331417854 974713294 /nfs/dbraw/zinc/71/32/94/974713294.db2.gz DJMLSIFJAFACCQ-BDAKNGLRSA-N 2 0 228.286 1.833 20 0 BDADRP C[NH2+][C@H](C)CCN[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC001331835605 974832130 /nfs/dbraw/zinc/83/21/30/974832130.db2.gz RKVOUMWKYRZVJJ-UTUOFQBUSA-N 2 0 225.380 1.199 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@@H]1CCC[C@@H]1CCOC ZINC001331835923 974832869 /nfs/dbraw/zinc/83/28/69/974832869.db2.gz TYDQIOGYLQPGPP-JHJVBQTASA-N 2 0 228.380 1.779 20 0 BDADRP CC(C)OC(=O)CC[C@@H](C)[NH2+]C[C@H](C)C[NH3+] ZINC001172746646 974921929 /nfs/dbraw/zinc/92/19/29/974921929.db2.gz RBIQEBZNDLZHRI-GHMZBOCLSA-N 2 0 230.352 1.291 20 0 BDADRP CC(C)OC(=O)CC[C@H](C)N1CCC[C@@H]([NH3+])C1 ZINC001172756768 974929493 /nfs/dbraw/zinc/92/94/93/974929493.db2.gz QXUURVFTOHKTNN-NWDGAFQWSA-N 2 0 242.363 1.530 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+]CCSCC[NH3+])C1 ZINC001172927625 974974728 /nfs/dbraw/zinc/97/47/28/974974728.db2.gz YWZHRLGBLJVOHX-GHMZBOCLSA-N 2 0 232.393 1.226 20 0 BDADRP [NH3+]CC1CCC([NH2+]CCc2ccns2)CC1 ZINC001332422774 975109859 /nfs/dbraw/zinc/10/98/59/975109859.db2.gz YKANEWWJGUGAKK-UHFFFAOYSA-N 2 0 239.388 1.793 20 0 BDADRP CCc1ccc(C[C@H](C)[NH2+]C[C@H](O)C[NH3+])cc1 ZINC001173239252 975163682 /nfs/dbraw/zinc/16/36/82/975163682.db2.gz PCFDDHHBDCUQJZ-SMDDNHRTSA-N 2 0 236.359 1.089 20 0 BDADRP CC[N@@H+]1CC[C@@H](n2ccnc2[C@H](C)[NH3+])C1 ZINC001173347978 975288186 /nfs/dbraw/zinc/28/81/86/975288186.db2.gz KTSHHOSKJYFGIZ-VHSXEESVSA-N 2 0 208.309 1.170 20 0 BDADRP CC[N@@H+]1CC[C@H](N2C[C@@H]([NH3+])Cc3ccccc32)C1 ZINC001173348560 975291102 /nfs/dbraw/zinc/29/11/02/975291102.db2.gz RBSJRUBBYWGPEL-KBPBESRZSA-N 2 0 245.370 1.471 20 0 BDADRP CCC[NH+](CCC)CCN[C@@H]1CC[N@H+](CC)C1 ZINC001173350072 975296455 /nfs/dbraw/zinc/29/64/55/975296455.db2.gz NKPNOYRXPRVCLB-CQSZACIVSA-N 2 0 241.423 1.792 20 0 BDADRP CC[N@@H+]1CC[C@@H](n2ccc([C@H](C)[NH3+])n2)C1 ZINC001173350663 975297863 /nfs/dbraw/zinc/29/78/63/975297863.db2.gz OJBOLRFFKOORBP-VHSXEESVSA-N 2 0 208.309 1.170 20 0 BDADRP CC[N@@H+]1CC[C@H](Nc2ccc(OC)c(C[NH3+])c2)C1 ZINC001173356527 975313561 /nfs/dbraw/zinc/31/35/61/975313561.db2.gz FETRVZDCYKSWOA-ZDUSSCGKSA-N 2 0 249.358 1.660 20 0 BDADRP CC[N@@H+]1CC[C@H](Nc2ccc(C[NH3+])c(F)c2)C1 ZINC001173360200 975324149 /nfs/dbraw/zinc/32/41/49/975324149.db2.gz YJKBPRYRMFKHSL-LBPRGKRZSA-N 2 0 237.322 1.791 20 0 BDADRP CC[N@@H+]1CC[C@H](N2CC[C@@H]([NH+](C)C3CC3)C2)C1 ZINC001173366509 975338702 /nfs/dbraw/zinc/33/87/02/975338702.db2.gz ACFOSALAVRMZKB-KGLIPLIRSA-N 2 0 237.391 1.249 20 0 BDADRP CC[N@@H+]1CC[C@@H](N(C)CC[NH+]2CCCC2)C1 ZINC001173370200 975355982 /nfs/dbraw/zinc/35/59/82/975355982.db2.gz FLTAPTCXWHCGII-CYBMUJFWSA-N 2 0 225.380 1.108 20 0 BDADRP C[N@H+](CCNc1cc(N)[nH+]cc1Cl)C1CC1 ZINC001333640894 975916658 /nfs/dbraw/zinc/91/66/58/975916658.db2.gz LIOYTRVZQKDGKK-UHFFFAOYSA-N 2 0 240.738 1.823 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)N1CCC([NH3+])(CC)CC1 ZINC001333711205 976018662 /nfs/dbraw/zinc/01/86/62/976018662.db2.gz XUGFYVJJBJCDHX-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP C[NH2+][C@H](C)CCN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC001334389907 976489266 /nfs/dbraw/zinc/48/92/66/976489266.db2.gz KDNGHAVREMRAMG-NDBYEHHHSA-N 2 0 239.407 1.351 20 0 BDADRP Cc1c[nH+]ccc1Nc1cc[nH+]c(CO)c1 ZINC001174536175 976816141 /nfs/dbraw/zinc/81/61/41/976816141.db2.gz JIUWLGZUAVWZHW-UHFFFAOYSA-N 2 0 215.256 1.443 20 0 BDADRP CCC(CC)(CCO)[NH2+]CC1CC[NH+](C)CC1 ZINC001335062995 976839092 /nfs/dbraw/zinc/83/90/92/976839092.db2.gz YDAPXZOPHRAXKX-UHFFFAOYSA-N 2 0 242.407 1.859 20 0 BDADRP Cc1[nH+]cc(Nc2cc[nH+]c(C)c2)n1C ZINC001174654802 976944298 /nfs/dbraw/zinc/94/42/98/976944298.db2.gz MWSDZNHYUSOZRN-UHFFFAOYSA-N 2 0 202.261 1.597 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc3c[nH]nc32)C1 ZINC001335336850 976974706 /nfs/dbraw/zinc/97/47/06/976974706.db2.gz CEZJAKSRYZYIAJ-XYPYZODXSA-N 2 0 216.288 1.142 20 0 BDADRP [NH3+]CCCOCC[NH2+]Cc1ccc2c(c1)CCC2 ZINC001335368684 977005437 /nfs/dbraw/zinc/00/54/37/977005437.db2.gz VESDJIJBKKCVOT-UHFFFAOYSA-N 2 0 248.370 1.630 20 0 BDADRP CC(C)OCC[C@H](O)C[NH2+]CC[C@H](C)[NH+](C)C ZINC001335381657 977015434 /nfs/dbraw/zinc/01/54/34/977015434.db2.gz OTTFVHJMTQBSFT-STQMWFEESA-N 2 0 246.395 1.092 20 0 BDADRP CC[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001175048616 977247354 /nfs/dbraw/zinc/24/73/54/977247354.db2.gz IZFRDRBMIMLWSS-GFCCVEGCSA-N 2 0 243.395 1.223 20 0 BDADRP [NH3+]C[C@H]1Cc2ccccc2CN1C1CCOCC1 ZINC000721619646 977569974 /nfs/dbraw/zinc/56/99/74/977569974.db2.gz ZPYVVGMFRBSGMY-OAHLLOKOSA-N 2 0 246.354 1.551 20 0 BDADRP Cn1cnc(C[NH2+]C2CCC(C[NH3+])CC2)c1 ZINC001336261429 977603351 /nfs/dbraw/zinc/60/33/51/977603351.db2.gz GTAFMTFSMCWLHR-UHFFFAOYSA-N 2 0 222.336 1.027 20 0 BDADRP C[C@]1(O)CC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232011493 977841335 /nfs/dbraw/zinc/84/13/35/977841335.db2.gz DNNBGJCVWDOJCB-ZDUSSCGKSA-N 2 0 231.299 1.520 20 0 BDADRP C[N@H+](Cc1cc2c[nH+]ccc2[nH]1)[C@H]1CCOC1 ZINC001232013950 977841425 /nfs/dbraw/zinc/84/14/25/977841425.db2.gz IFPCWHPQQPBAQU-LBPRGKRZSA-N 2 0 231.299 1.784 20 0 BDADRP CNC(=O)CC[N@H+](C)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232014878 977844321 /nfs/dbraw/zinc/84/43/21/977844321.db2.gz WBOYVPCPOULTIR-UHFFFAOYSA-N 2 0 246.314 1.131 20 0 BDADRP c1c[nH+]c(Nc2cc[nH+]c3c2CCC3)[nH]1 ZINC001176078818 977870466 /nfs/dbraw/zinc/87/04/66/977870466.db2.gz ARMHSDJVFJHMAJ-UHFFFAOYSA-N 2 0 200.245 1.459 20 0 BDADRP CN(C)c1cc[nH+]cc1Nc1[nH]cc[nH+]1 ZINC001176078776 977872345 /nfs/dbraw/zinc/87/23/45/977872345.db2.gz AFSSCIWWIVTQSA-UHFFFAOYSA-N 2 0 203.249 1.614 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+](Cc1ccns1)CC2 ZINC001232192530 977916824 /nfs/dbraw/zinc/91/68/24/977916824.db2.gz MWVLTWKNDSKEOX-UHFFFAOYSA-N 2 0 237.372 1.671 20 0 BDADRP C[NH+](C)CCCNc1cc(NCC2CC2)ncn1 ZINC001336946009 978074579 /nfs/dbraw/zinc/07/45/79/978074579.db2.gz GVUFFLPKCMWSRN-UHFFFAOYSA-N 2 0 249.362 1.662 20 0 BDADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N(C)C1(C[NH3+])CCCCC1 ZINC001337034650 978137616 /nfs/dbraw/zinc/13/76/16/978137616.db2.gz CGKHWKZGPUGHHR-GHMZBOCLSA-N 2 0 241.379 1.090 20 0 BDADRP CC(C)([NH3+])CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001337044046 978143427 /nfs/dbraw/zinc/14/34/27/978143427.db2.gz FMVPBJJEHHRVQZ-UHFFFAOYSA-N 2 0 246.314 1.192 20 0 BDADRP C[NH2+][C@@]12CC[C@@](Nc3cc[nH+]cc3)(C1)CCC2 ZINC001277693729 978206888 /nfs/dbraw/zinc/20/68/88/978206888.db2.gz KMRUQPBKWVWPGJ-UONOGXRCSA-N 2 0 231.343 1.980 20 0 BDADRP C[NH+](C)CCO[C@@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001206288122 978256837 /nfs/dbraw/zinc/25/68/37/978256837.db2.gz VWZNDFQGXIAXCV-CLLJXQQHSA-N 2 0 226.364 1.295 20 0 BDADRP CC[N@@H+]1CC[C@H](NCC(C)(C)C[NH+](C)C)C1 ZINC000328315357 978271649 /nfs/dbraw/zinc/27/16/49/978271649.db2.gz CKKCOTJLQFWWLQ-LBPRGKRZSA-N 2 0 227.396 1.258 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@H+](CC23CC([NH3+])(C2)C3)CC1 ZINC001206295672 978299286 /nfs/dbraw/zinc/29/92/86/978299286.db2.gz MWERIPATCLYAHB-IYXRBSQSSA-N 3 0 237.391 1.319 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2ncc[nH]2)CC1 ZINC001206296712 978317989 /nfs/dbraw/zinc/31/79/89/978317989.db2.gz UHVYVRLYWXKQRC-LBPRGKRZSA-N 2 0 222.336 1.361 20 0 BDADRP Cn1ccnc1C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206304962 978383145 /nfs/dbraw/zinc/38/31/45/978383145.db2.gz SECSOECZMKOMCO-CYBMUJFWSA-N 2 0 236.363 1.371 20 0 BDADRP [NH3+]Cc1nccnc1NCC[NH+]1CCCCCC1 ZINC001337773962 978491200 /nfs/dbraw/zinc/49/12/00/978491200.db2.gz GCEWSZZUERSLMD-UHFFFAOYSA-N 2 0 249.362 1.223 20 0 BDADRP [NH3+]C1CC([NH2+]Cc2cccc3c[nH]nc32)C1 ZINC001337882425 978547880 /nfs/dbraw/zinc/54/78/80/978547880.db2.gz CEZJAKSRYZYIAJ-UHFFFAOYSA-N 2 0 216.288 1.142 20 0 BDADRP NC[C@]1(F)CCCC[N@H+](CC23CC([NH3+])(C2)C3)C1 ZINC001206336710 978600783 /nfs/dbraw/zinc/60/07/83/978600783.db2.gz NMWJJCOKIBKQBL-OTTFEQOBSA-N 2 0 241.354 1.021 20 0 BDADRP Cc1cc(N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)cc[nH+]1 ZINC001338162084 978620741 /nfs/dbraw/zinc/62/07/41/978620741.db2.gz GXULUHDNJKEGIZ-KWCYVHTRSA-N 2 0 231.343 1.564 20 0 BDADRP Cc1cc(N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc[nH+]1 ZINC001338162080 978622174 /nfs/dbraw/zinc/62/21/74/978622174.db2.gz GXULUHDNJKEGIZ-FPMFFAJLSA-N 2 0 231.343 1.564 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H](Nc3cc[nH+]c(CO)c3)[C@H]2C1 ZINC001338296288 978656269 /nfs/dbraw/zinc/65/62/69/978656269.db2.gz HNFMDFSAESNLBX-BPNCWPANSA-N 2 0 247.342 1.326 20 0 BDADRP CC(C)CC[C@@H](O)C[NH2+]C[C@@H](C)C[NH+](C)C ZINC001338476049 978687279 /nfs/dbraw/zinc/68/72/79/978687279.db2.gz VFGNTQUNFNOQBF-CHWSQXEVSA-N 2 0 230.396 1.571 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H](NCc3cnsc3)[C@H]2C1 ZINC001179814919 978758169 /nfs/dbraw/zinc/75/81/69/978758169.db2.gz BRJOJEDZOOBIHZ-SRVKXCTJSA-N 2 0 237.372 1.573 20 0 BDADRP Cc1ccncc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001179816630 978761204 /nfs/dbraw/zinc/76/12/04/978761204.db2.gz MNGPELRFFQKYIM-BPLDGKMQSA-N 2 0 245.370 1.820 20 0 BDADRP CCCc1nccn1C[C@H]1CCC[NH2+]C1 ZINC000069964157 978799957 /nfs/dbraw/zinc/79/99/57/978799957.db2.gz SCKFMDPLOJGXJH-NSHDSACASA-N 2 0 207.321 1.835 20 0 BDADRP COCC[NH+]1CCC(Nc2cc[nH+]cc2)CC1 ZINC001339449491 978852646 /nfs/dbraw/zinc/85/26/46/978852646.db2.gz AEZCXWLYRMVAFV-UHFFFAOYSA-N 2 0 235.331 1.026 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@@H](Nc3ccccn3)[C@H]2C1 ZINC001339999997 978954664 /nfs/dbraw/zinc/95/46/64/978954664.db2.gz QZQDOGVFCHIOST-SDDRHHMPSA-N 2 0 217.316 1.834 20 0 BDADRP [NH3+]Cc1ccc(CN2CCCCC23C[NH2+]C3)cc1 ZINC001235102775 978976408 /nfs/dbraw/zinc/97/64/08/978976408.db2.gz UPAQGMZBCVKYPE-UHFFFAOYSA-N 2 0 245.370 1.473 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235152820 978983195 /nfs/dbraw/zinc/98/31/95/978983195.db2.gz PLJJZROHFYBROG-CQSZACIVSA-N 3 0 239.407 1.579 20 0 BDADRP CCCC[N@H+](C)CCNC(=O)CC(C)(C)C[NH3+] ZINC001340202047 978988088 /nfs/dbraw/zinc/98/80/88/978988088.db2.gz SDUIQQLLNABZSE-UHFFFAOYSA-N 2 0 243.395 1.210 20 0 BDADRP C(CN1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCCC[NH2+]1 ZINC001235194485 978992282 /nfs/dbraw/zinc/99/22/82/978992282.db2.gz WIXSKPOUOFWZLO-MGPQQGTHSA-N 2 0 237.391 1.060 20 0 BDADRP [NH3+]CCCC[N@@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001235187464 978994235 /nfs/dbraw/zinc/99/42/35/978994235.db2.gz ZLNFQXAUKDWUOM-NWDGAFQWSA-N 2 0 212.337 1.226 20 0 BDADRP C[NH2+]CCCN1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001235218113 979000040 /nfs/dbraw/zinc/00/00/40/979000040.db2.gz JSLAOQZXRQMRTE-LSDHHAIUSA-N 2 0 245.370 1.167 20 0 BDADRP C[C@@H]([NH3+])CN1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235234289 979004722 /nfs/dbraw/zinc/00/47/22/979004722.db2.gz XEQOVNRATUCTLA-YPMHNXCESA-N 2 0 225.380 1.188 20 0 BDADRP C(CN1CC[C@H]2[NH2+]CC[C@@H]2C1)[C@H]1CCCC[NH2+]1 ZINC001235253994 979009602 /nfs/dbraw/zinc/00/96/02/979009602.db2.gz GZYKGLFIGTYRSE-MGPQQGTHSA-N 2 0 237.391 1.202 20 0 BDADRP C(CN1CC[C@H]2[NH2+]CC[C@H]2C1)[C@H]1CCCC[NH2+]1 ZINC001235253987 979009881 /nfs/dbraw/zinc/00/98/81/979009881.db2.gz GZYKGLFIGTYRSE-BFHYXJOUSA-N 2 0 237.391 1.202 20 0 BDADRP [NH3+]Cc1cccc(CN2C[C@H]([NH3+])C[C@@H](F)C2)c1 ZINC001206444312 979012372 /nfs/dbraw/zinc/01/23/72/979012372.db2.gz HEKNDTVFLJBQEL-CHWSQXEVSA-N 2 0 237.322 1.016 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)c1ccc(CC[NH3+])cc1 ZINC001340401971 979018209 /nfs/dbraw/zinc/01/82/09/979018209.db2.gz UPIXCXHRWQBNFB-MNOVXSKESA-N 2 0 249.358 1.043 20 0 BDADRP [NH3+]CCN1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001235489856 979051799 /nfs/dbraw/zinc/05/17/99/979051799.db2.gz KWSYVGQNVJWJPR-UHFFFAOYSA-N 2 0 237.391 1.286 20 0 BDADRP C[C@H]1C[C@H]2C[N@H+](CCCC[NH3+])CC[C@H]2O1 ZINC001235483855 979053725 /nfs/dbraw/zinc/05/37/25/979053725.db2.gz STXDQHUHJXPGMC-SDDRHHMPSA-N 2 0 212.337 1.225 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+](CC(C)(C)CO)CC2 ZINC001277963838 979127128 /nfs/dbraw/zinc/12/71/28/979127128.db2.gz VSPDPJCYPOMBGV-UHFFFAOYSA-N 2 0 226.364 1.033 20 0 BDADRP CC[NH+]1CCC(C[N@H+](C)C[C@@H](O)C2CC2)CC1 ZINC001181507175 979128947 /nfs/dbraw/zinc/12/89/47/979128947.db2.gz ZLEZIXKKKYRFAF-CQSZACIVSA-N 2 0 240.391 1.421 20 0 BDADRP C(CN1CCCC2(C[NH2+]C2)C1)[C@@H]1CCCC[NH2+]1 ZINC001235710828 979129787 /nfs/dbraw/zinc/12/97/87/979129787.db2.gz GVULKIOBTXYIGL-ZDUSSCGKSA-N 2 0 237.391 1.204 20 0 BDADRP C[C@@H]([NH3+])CN1CCC(C2CC[NH2+]CC2)CC1 ZINC001235702109 979130671 /nfs/dbraw/zinc/13/06/71/979130671.db2.gz JKXCWXVRBUOBIR-LLVKDONJSA-N 2 0 225.380 1.045 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCC[C@H](Oc2cccnc2)C1 ZINC001235712842 979131103 /nfs/dbraw/zinc/13/11/03/979131103.db2.gz QCKKXVNTRUURFY-AWEZNQCLSA-N 2 0 249.358 1.664 20 0 BDADRP C[NH2+]C[C@@H](C)C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001340883361 979137032 /nfs/dbraw/zinc/13/70/32/979137032.db2.gz ZUEVEHGHZZPZTN-SECBINFHSA-N 2 0 233.315 1.084 20 0 BDADRP CC(C)([NH3+])CC(=O)Nc1cccc2c1C[NH2+]C2 ZINC001340883311 979137530 /nfs/dbraw/zinc/13/75/30/979137530.db2.gz ZAQGLWGSRKGFGB-UHFFFAOYSA-N 2 0 233.315 1.356 20 0 BDADRP CC[C@H]1CNCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001235768298 979142589 /nfs/dbraw/zinc/14/25/89/979142589.db2.gz FNGPUUVEVCPTGR-STQMWFEESA-N 2 0 225.380 1.060 20 0 BDADRP C[NH2+][C@@H]1CCN(Cc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001235829881 979162912 /nfs/dbraw/zinc/16/29/12/979162912.db2.gz XVDFZZVQSSSOAB-OAHLLOKOSA-N 2 0 245.370 1.126 20 0 BDADRP COC(C)(C)[C@@H]1CCC[N@@H+]1CCCC[NH3+] ZINC001235826800 979163185 /nfs/dbraw/zinc/16/31/85/979163185.db2.gz CCVDJXKHUSGZEW-NSHDSACASA-N 2 0 214.353 1.615 20 0 BDADRP CC(C)=CCC[C@@H](C)CCN(CC[NH3+])CC[NH3+] ZINC001235874445 979171565 /nfs/dbraw/zinc/17/15/65/979171565.db2.gz JLPXGIDSRUCUBR-CQSZACIVSA-N 2 0 241.423 1.978 20 0 BDADRP CC[NH2+]CCN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001235883424 979179771 /nfs/dbraw/zinc/17/97/71/979179771.db2.gz GAQVTINCHBMPBH-CYBMUJFWSA-N 2 0 225.380 1.060 20 0 BDADRP [NH3+]CCCC[NH+]1CC(N2CCC(F)(F)CC2)C1 ZINC001235889877 979181057 /nfs/dbraw/zinc/18/10/57/979181057.db2.gz AMKRONQHSDGPKV-UHFFFAOYSA-N 2 0 247.333 1.141 20 0 BDADRP C[C@@H]1CC[C@@H]([NH3+])CN1CC1(C)CC[NH2+]CC1 ZINC001235892426 979185054 /nfs/dbraw/zinc/18/50/54/979185054.db2.gz QJNHDAAQBZEBCT-VXGBXAGGSA-N 2 0 225.380 1.188 20 0 BDADRP [NH3+][C@@H]1CC=C(C(=O)Nc2cccc3c2C[NH2+]C3)C1 ZINC001340994935 979188666 /nfs/dbraw/zinc/18/86/66/979188666.db2.gz OUDRFUBZKICIGG-LLVKDONJSA-N 2 0 243.310 1.276 20 0 BDADRP C[NH2+]CCN(C(=O)c1ccc(C[NH3+])cc1)C(C)C ZINC001341011966 979196050 /nfs/dbraw/zinc/19/60/50/979196050.db2.gz OJEYGQABJSNZMN-UHFFFAOYSA-N 2 0 249.358 1.215 20 0 BDADRP C[C@H]1CC[C@@H]([NH3+])CN1Cc1ccc(C[NH3+])cc1 ZINC001235907670 979205346 /nfs/dbraw/zinc/20/53/46/979205346.db2.gz SBJPKUFCMWJUJJ-SMDDNHRTSA-N 3 0 233.359 1.457 20 0 BDADRP [NH3+][C@H](CN1CC2(C1)CCCC[NH2+]2)c1ccccc1 ZINC001235924550 979207368 /nfs/dbraw/zinc/20/73/68/979207368.db2.gz USDPNLCEULOPKH-CQSZACIVSA-N 2 0 245.370 1.514 20 0 BDADRP CC(C)[C@H]1COCC[N@@H+]1CCCC[NH3+] ZINC001235940590 979210938 /nfs/dbraw/zinc/21/09/38/979210938.db2.gz VGAHOBJMZDFZBZ-LLVKDONJSA-N 2 0 200.326 1.082 20 0 BDADRP CC(C)N(CC[NH3+])Cc1ccc2c(c1)C[NH2+]CC2 ZINC001235946841 979216257 /nfs/dbraw/zinc/21/62/57/979216257.db2.gz CWXRQJCRSMUBDM-UHFFFAOYSA-N 2 0 247.386 1.501 20 0 BDADRP CCN(CC[C@@H]1CCCC[NH2+]1)[C@H]1CC[NH2+]C1 ZINC001235970440 979232542 /nfs/dbraw/zinc/23/25/42/979232542.db2.gz MUBHKXNXENIYIH-STQMWFEESA-N 2 0 225.380 1.202 20 0 BDADRP COC(=O)C[C@H]1CCC[N@H+](CCCC[NH3+])C1 ZINC001236043210 979340067 /nfs/dbraw/zinc/34/00/67/979340067.db2.gz VSTGHLMYXAJNKY-LLVKDONJSA-N 2 0 228.336 1.000 20 0 BDADRP [NH3+]Cc1ccc(C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC001341340531 979346022 /nfs/dbraw/zinc/34/60/22/979346022.db2.gz CGUWIDYIRZKYMN-YPMHNXCESA-N 2 0 247.342 1.003 20 0 BDADRP C[C@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)[C@@H](C)CN1 ZINC001236078150 979361895 /nfs/dbraw/zinc/36/18/95/979361895.db2.gz GGIHWRJLAWNBPY-AVGNSLFASA-N 2 0 225.380 1.058 20 0 BDADRP C[NH+]1CCC2(C[NH+](CCCCCO)C2)CC1 ZINC001236082987 979364752 /nfs/dbraw/zinc/36/47/52/979364752.db2.gz QBOOFTBWTVWDAF-UHFFFAOYSA-N 2 0 226.364 1.177 20 0 BDADRP C[C@@H]1CNC[C@@H](C)[NH+]1CCC1CC[NH2+]CC1 ZINC001236104498 979392486 /nfs/dbraw/zinc/39/24/86/979392486.db2.gz LDUGRUWJVDMFKU-VXGBXAGGSA-N 2 0 225.380 1.058 20 0 BDADRP CCCC[C@H]1CN(CCCC[NH3+])CC[NH2+]1 ZINC001236134872 979405019 /nfs/dbraw/zinc/40/50/19/979405019.db2.gz IKZITHCXKUBMDU-LBPRGKRZSA-N 2 0 213.369 1.189 20 0 BDADRP CCN(CC[NH3+])Cc1cc2c(s1)C[NH2+]CC2 ZINC001236143624 979407317 /nfs/dbraw/zinc/40/73/17/979407317.db2.gz LHOJIULVMYBRRC-UHFFFAOYSA-N 2 0 239.388 1.174 20 0 BDADRP CCCC[C@@H]1CN(C[C@H]([NH3+])CC)CC[NH2+]1 ZINC001236141490 979411053 /nfs/dbraw/zinc/41/10/53/979411053.db2.gz ZRRNLIGTOLUFKZ-VXGBXAGGSA-N 2 0 213.369 1.188 20 0 BDADRP C[NH2+][C@H]1CCN1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001236167319 979418921 /nfs/dbraw/zinc/41/89/21/979418921.db2.gz QJBZVGUIAXJZGW-CQSZACIVSA-N 2 0 231.343 1.084 20 0 BDADRP CCC[C@H]1CN(CCC2CC[NH2+]CC2)CC[NH2+]1 ZINC001236176841 979433698 /nfs/dbraw/zinc/43/36/98/979433698.db2.gz IMKNDVQTTSUZDZ-AWEZNQCLSA-N 2 0 239.407 1.450 20 0 BDADRP CCC[C@H]1CN(CC2(F)CC[NH2+]CC2)CC[NH2+]1 ZINC001236176772 979435434 /nfs/dbraw/zinc/43/54/34/979435434.db2.gz CQXFDABHPNUODU-LBPRGKRZSA-N 2 0 243.370 1.152 20 0 BDADRP CCCN(C[C@@H]1CCC[NH2+]1)C1CC[NH2+]CC1 ZINC001236180729 979438617 /nfs/dbraw/zinc/43/86/17/979438617.db2.gz MVYWRZJKEWMQBA-LBPRGKRZSA-N 2 0 225.380 1.202 20 0 BDADRP CN(C[C@@H]1CCC[NH2+]C1)[C@]1(C)CCC[NH2+]C1 ZINC001236201826 979448569 /nfs/dbraw/zinc/44/85/69/979448569.db2.gz NQZKYQROULAPSC-CHWSQXEVSA-N 2 0 225.380 1.060 20 0 BDADRP Nc1ccc2c(c1)C[N@@H+](C[C@H]1CCC[NH2+]C1)CC2 ZINC001236233163 979457608 /nfs/dbraw/zinc/45/76/08/979457608.db2.gz PJQVIKQSDRFPQQ-LBPRGKRZSA-N 2 0 245.370 1.627 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)N(C1CC1)[C@H]1CCC[NH2+]C1 ZINC001236236995 979458893 /nfs/dbraw/zinc/45/88/93/979458893.db2.gz NXJNWPPRCHIGJZ-OCCSQVGLSA-N 2 0 237.391 1.202 20 0 BDADRP C(C1CC[NH2+]CC1)N(C1CC1)[C@H]1CCC[NH2+]C1 ZINC001236237585 979463981 /nfs/dbraw/zinc/46/39/81/979463981.db2.gz SFGQDJSELPMIMV-AWEZNQCLSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@@H]([NH3+])CN(Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001236269733 979480219 /nfs/dbraw/zinc/48/02/19/979480219.db2.gz NEALWTPNQNQZSX-HIFRSBDPSA-N 2 0 247.386 1.588 20 0 BDADRP C(C[NH2+]C1CCCCC1)CN1C[C@H]2C[NH2+][C@@H]2C1 ZINC001236280334 979480682 /nfs/dbraw/zinc/48/06/82/979480682.db2.gz CFPVOYXSCRBJNN-TZMCWYRMSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccccc1C[NH3+] ZINC001341671984 979517268 /nfs/dbraw/zinc/51/72/68/979517268.db2.gz WGRZSPYWILRYAT-DTWKUNHWSA-N 2 0 221.304 1.067 20 0 BDADRP Fc1cncc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236314422 979523051 /nfs/dbraw/zinc/52/30/51/979523051.db2.gz DPSIEYOMEFJMBC-BETUJISGSA-N 2 0 249.333 1.652 20 0 BDADRP COC(C)(C)CC[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314526 979523920 /nfs/dbraw/zinc/52/39/20/979523920.db2.gz QFIFGJYTJZUCOA-BETUJISGSA-N 2 0 240.391 1.733 20 0 BDADRP O=c1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c[nH]1 ZINC001236315091 979523998 /nfs/dbraw/zinc/52/39/98/979523998.db2.gz JSSBXROOPFONOL-BETUJISGSA-N 2 0 247.342 1.219 20 0 BDADRP Cc1cncc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)n1 ZINC001236314523 979525036 /nfs/dbraw/zinc/52/50/36/979525036.db2.gz PTCOQJNXIFVKGV-BETUJISGSA-N 2 0 246.358 1.216 20 0 BDADRP c1cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)co1 ZINC001236315257 979529596 /nfs/dbraw/zinc/52/95/96/979529596.db2.gz YKNVXQKQTJBIEO-BETUJISGSA-N 2 0 220.316 1.711 20 0 BDADRP O=c1[nH]cccc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236316275 979529695 /nfs/dbraw/zinc/52/96/95/979529695.db2.gz QRAFSERHOZLFGI-TXEJJXNPSA-N 2 0 247.342 1.219 20 0 BDADRP CCCN(Cc1cccc(C[NH3+])c1)[C@H]1CC[NH2+]C1 ZINC001236325065 979536433 /nfs/dbraw/zinc/53/64/33/979536433.db2.gz YBFUAFGNQNRHDW-HNNXBMFYSA-N 2 0 247.386 1.719 20 0 BDADRP [NH3+]CCCCNC(=O)[C@H]([NH3+])C1CCCCCC1 ZINC001341748544 979542968 /nfs/dbraw/zinc/54/29/68/979542968.db2.gz PQBFXWAPUQNAQZ-GFCCVEGCSA-N 2 0 241.379 1.139 20 0 BDADRP CN1CC[C@@H]2CC[C@H](C1)[N@@H+]2CC[C@@H]1CCOC1 ZINC001341856072 979579203 /nfs/dbraw/zinc/57/92/03/979579203.db2.gz LVWOYPANPQSCAS-HZSPNIEDSA-N 2 0 238.375 1.582 20 0 BDADRP CC[C@@H](C)C[C@@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC001341893134 979586861 /nfs/dbraw/zinc/58/68/61/979586861.db2.gz JNZOGOBWUVLUES-DDHJBXDOSA-N 2 0 241.379 1.136 20 0 BDADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC001341893135 979587721 /nfs/dbraw/zinc/58/77/21/979587721.db2.gz JNZOGOBWUVLUES-IRCOFANPSA-N 2 0 241.379 1.136 20 0 BDADRP C[C@H]1[C@@H]([NH3+])CCCN1Cc1cccc(C[NH3+])c1 ZINC001236421042 979589270 /nfs/dbraw/zinc/58/92/70/979589270.db2.gz SGLWHAORECHWCT-FZMZJTMJSA-N 2 0 233.359 1.457 20 0 BDADRP CC(C)N(C[C@H]1CCCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC001236468748 979602488 /nfs/dbraw/zinc/60/24/88/979602488.db2.gz LPBTUFMBKOEPKH-ZIAGYGMSSA-N 2 0 239.407 1.591 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)NC(=O)CC(C)(C)[NH3+] ZINC001341949281 979602624 /nfs/dbraw/zinc/60/26/24/979602624.db2.gz IYDHLYDCKAGQPQ-LLVKDONJSA-N 2 0 243.395 1.350 20 0 BDADRP CC(C)CN(C[C@@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC001236475726 979605038 /nfs/dbraw/zinc/60/50/38/979605038.db2.gz XVCUDJLACCEVFR-ZIAGYGMSSA-N 2 0 239.407 1.306 20 0 BDADRP CCc1cccc(C)c1C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206535917 979612747 /nfs/dbraw/zinc/61/27/47/979612747.db2.gz UNJOPHZARMHXOU-ZFWWWQNUSA-N 2 0 248.370 1.309 20 0 BDADRP CC(C)N(Cc1ccc(C[NH3+])cc1)[C@@H]1CC[NH2+]C1 ZINC001236526824 979613532 /nfs/dbraw/zinc/61/35/32/979613532.db2.gz DMOLIRSPERMIQJ-OAHLLOKOSA-N 2 0 247.386 1.718 20 0 BDADRP CC(C)N(C[C@@H]([NH3+])c1ccccc1)[C@H]1CC[NH2+]C1 ZINC001236525586 979619307 /nfs/dbraw/zinc/61/93/07/979619307.db2.gz IJDWAPYZMNCVQF-LSDHHAIUSA-N 2 0 247.386 1.759 20 0 BDADRP [NH3+]CCN(Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236561117 979635151 /nfs/dbraw/zinc/63/51/51/979635151.db2.gz MUXZLGPDXFNSOS-HDJSIYSDSA-N 3 0 248.374 1.112 20 0 BDADRP CC(C)C[N@H+](CCO)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550451 979635547 /nfs/dbraw/zinc/63/55/47/979635547.db2.gz IPNVPXJLQVRTPV-HAQNSBGRSA-N 2 0 214.353 1.207 20 0 BDADRP C[C@H](N)C[N@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236567691 979639443 /nfs/dbraw/zinc/63/94/43/979639443.db2.gz ZJSRKLYCHUHKDJ-OBJOEFQTSA-N 2 0 239.407 1.848 20 0 BDADRP C[C@@H]1CN(CC[C@H]2CCCC[NH2+]2)C[C@@H](C)[NH2+]1 ZINC001236575379 979642368 /nfs/dbraw/zinc/64/23/68/979642368.db2.gz KUPIERAYPWIPHF-JHJVBQTASA-N 2 0 225.380 1.201 20 0 BDADRP [NH3+][C@@H](CCC(=O)N[C@@H]1C[C@H]([NH3+])C1)c1ccccc1 ZINC001342073509 979653693 /nfs/dbraw/zinc/65/36/93/979653693.db2.gz LRICGPLRWZJXDW-XQQFMLRXSA-N 2 0 247.342 1.073 20 0 BDADRP C[NH2+]CCN([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236646337 979687626 /nfs/dbraw/zinc/68/76/26/979687626.db2.gz GCBBRYRJPMJYNV-ZDUSSCGKSA-N 2 0 225.380 1.202 20 0 BDADRP [NH3+][C@H]1CC[C@H]([N@H+](CCO)Cc2ccccn2)CC1 ZINC001236672755 979693039 /nfs/dbraw/zinc/69/30/39/979693039.db2.gz ULJQPPPXMVZOSU-MQMHXKEQSA-N 2 0 249.358 1.146 20 0 BDADRP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cc[nH]c2)C1 ZINC001206556211 979719681 /nfs/dbraw/zinc/71/96/81/979719681.db2.gz OOVQCCVDIAWPKZ-ZDUSSCGKSA-N 2 0 221.348 1.966 20 0 BDADRP C[C@]1([NH3+])CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC001205256166 979738676 /nfs/dbraw/zinc/73/86/76/979738676.db2.gz NSOKSFMDTPGQBY-NEPJUHHUSA-N 2 0 212.337 1.369 20 0 BDADRP CC(=O)OC(C)(C)CCC[N@@H+](C)C[C@H](C)[NH3+] ZINC001236885704 979784731 /nfs/dbraw/zinc/78/47/31/979784731.db2.gz PHUWUHPTWZNMCY-JTQLQIEISA-N 2 0 230.352 1.387 20 0 BDADRP Cc1noc2ccc(CN(C)C[C@H](C)[NH3+])cc12 ZINC001236908852 979794133 /nfs/dbraw/zinc/79/41/33/979794133.db2.gz MNAKWJVKKHJOPO-VIFPVBQESA-N 2 0 233.315 1.915 20 0 BDADRP CNc1ncccc1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205264724 979811068 /nfs/dbraw/zinc/81/10/68/979811068.db2.gz LAJDKYFHHLQQIT-CQSZACIVSA-N 2 0 248.374 1.827 20 0 BDADRP C[NH2+][C@@]12CC[C@@](NCCC[NH+](C)C)(C1)CCC2 ZINC001278049187 979815817 /nfs/dbraw/zinc/81/58/17/979815817.db2.gz IHPRYMJVZNYRGZ-UONOGXRCSA-N 2 0 239.407 1.593 20 0 BDADRP C1=C2[NH2+]CCN(C[C@@H]3CCC[NH2+]C3)[C@@H]2CCC1 ZINC001237218590 979849300 /nfs/dbraw/zinc/84/93/00/979849300.db2.gz JJUUGQGLLSOTQH-TZMCWYRMSA-N 2 0 235.375 1.328 20 0 BDADRP C(C1CC[NH2+]CC1)N1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237374715 979877905 /nfs/dbraw/zinc/87/79/05/979877905.db2.gz IMGACBUIEOJYCA-KGLIPLIRSA-N 2 0 237.391 1.060 20 0 BDADRP [NH3+]Cc1ccccc1NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC001343103557 980008525 /nfs/dbraw/zinc/00/85/25/980008525.db2.gz LQCJOEVJFMDABL-SUNKGSAMSA-N 2 0 245.326 1.211 20 0 BDADRP Cn1c(C[N@@H+]2CCC[C@](C)([NH3+])CC2)cccc1=O ZINC001205296158 980064207 /nfs/dbraw/zinc/06/42/07/980064207.db2.gz IFGBMMCSIMMPQH-AWEZNQCLSA-N 2 0 249.358 1.089 20 0 BDADRP CCN(CC[NH+](C)C)Cc1cccc2c[nH+]cn21 ZINC001238104481 980155373 /nfs/dbraw/zinc/15/53/73/980155373.db2.gz WRTCHKGVRHEWDI-UHFFFAOYSA-N 2 0 246.358 1.718 20 0 BDADRP C[NH2+]CCCCC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC001344399480 980386395 /nfs/dbraw/zinc/38/63/95/980386395.db2.gz NHSFLIZNOLSIBT-LBPRGKRZSA-N 2 0 241.379 1.106 20 0 BDADRP c1cn(CC[NH2+]C2CC[NH+](CC3CC3)CC2)cn1 ZINC000155653070 980534966 /nfs/dbraw/zinc/53/49/66/980534966.db2.gz KDJVKBYQVIZIMS-UHFFFAOYSA-N 2 0 248.374 1.347 20 0 BDADRP COC(=O)c1cccc(C[NH2+]C[C@H](C)C[NH3+])c1 ZINC001345104606 980549690 /nfs/dbraw/zinc/54/96/90/980549690.db2.gz MHLMCCIKHNSOMQ-SNVBAGLBSA-N 2 0 236.315 1.158 20 0 BDADRP [NH3+]C1CC([NH2+]Cc2ccc3c(c2)CCC3)C1 ZINC001345233525 980589503 /nfs/dbraw/zinc/58/95/03/980589503.db2.gz GVKXVSZUBVFENO-UHFFFAOYSA-N 2 0 216.328 1.755 20 0 BDADRP C[NH2+][C@H](C)CCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC001345482566 980617885 /nfs/dbraw/zinc/61/78/85/980617885.db2.gz NOZAVDPZCKSZHK-GRYCIOLGSA-N 2 0 213.369 1.234 20 0 BDADRP C[NH2+][C@H](C)CCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC001345482568 980618037 /nfs/dbraw/zinc/61/80/37/980618037.db2.gz NOZAVDPZCKSZHK-IJLUTSLNSA-N 2 0 213.369 1.234 20 0 BDADRP C[NH2+][C@@H](C)CCNC(=O)[C@H](CC(C)(C)C)[NH2+]C ZINC001345993463 980725404 /nfs/dbraw/zinc/72/54/04/980725404.db2.gz QRSRPUDSUDJCNB-QWRGUYRKSA-N 2 0 243.395 1.125 20 0 BDADRP Cc1cccc([C@@H](O)C[NH2+]C[C@H]2CC[N@@H+](C)C2)c1 ZINC001346192556 980779304 /nfs/dbraw/zinc/77/93/04/980779304.db2.gz WCOQLLBKGXNOIA-HIFRSBDPSA-N 2 0 248.370 1.570 20 0 BDADRP C[NH+]1CCC(C[NH2+]CCOCC2CCC2)CC1 ZINC000690516095 980860750 /nfs/dbraw/zinc/86/07/50/980860750.db2.gz SZZUTTFNJIDOKI-UHFFFAOYSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@@H]1C[C@@H]1C[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC000722684738 980880479 /nfs/dbraw/zinc/88/04/79/980880479.db2.gz WRYUSFHRCAEFFE-BBBLOLIVSA-N 2 0 218.291 1.558 20 0 BDADRP C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000722691768 980908441 /nfs/dbraw/zinc/90/84/41/980908441.db2.gz ITGJVNYEATWJFL-XQHKEYJVSA-N 2 0 208.349 1.716 20 0 BDADRP [NH3+]Cc1cncc(-c2ccnc(C[NH3+])c2)c1 ZINC001239799047 980938085 /nfs/dbraw/zinc/93/80/85/980938085.db2.gz XCBOFLDVZXLJFS-UHFFFAOYSA-N 2 0 214.272 1.061 20 0 BDADRP [NH3+]Cc1cncc(-c2cccc3c2C[NH2+]CC3)c1 ZINC001239798627 980938462 /nfs/dbraw/zinc/93/84/62/980938462.db2.gz QGYQAUHGCYPGJI-UHFFFAOYSA-N 2 0 239.322 1.853 20 0 BDADRP [NH3+]Cc1cncc(-c2cccc3c[nH+]cn32)c1 ZINC001239804615 980942383 /nfs/dbraw/zinc/94/23/83/980942383.db2.gz UCHPUEOLBOMYNB-UHFFFAOYSA-N 2 0 224.267 1.855 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)[C@@H](C)O)C1 ZINC001191391031 981022772 /nfs/dbraw/zinc/02/27/72/981022772.db2.gz UCDCSBCSRFSZNJ-UTUOFQBUSA-N 2 0 214.353 1.029 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2ccccn2)CC[C@@H]1C[NH3+] ZINC001205601757 981159470 /nfs/dbraw/zinc/15/94/70/981159470.db2.gz GEBQJEKLJJOSOJ-CHWSQXEVSA-N 2 0 233.359 1.888 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2ccncc2)CC[C@H]1C[NH3+] ZINC001205604782 981181736 /nfs/dbraw/zinc/18/17/36/981181736.db2.gz WYHHFJJMHMZYPY-OCCSQVGLSA-N 2 0 233.359 1.888 20 0 BDADRP CC[C@H](N)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205604858 981182176 /nfs/dbraw/zinc/18/21/76/981182176.db2.gz YHLOYQBVWGRLNF-SRVKXCTJSA-N 2 0 213.369 1.031 20 0 BDADRP COCC1([N@H+](C)C[C@H]2CCC[NH2+]C2)CCC1 ZINC001348820831 981451598 /nfs/dbraw/zinc/45/15/98/981451598.db2.gz HOEVTLZOQIQJIE-LBPRGKRZSA-N 2 0 226.364 1.487 20 0 BDADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1ccccc1C[NH3+] ZINC001349386680 981542134 /nfs/dbraw/zinc/54/21/34/981542134.db2.gz UQAYKNSKHWUNQZ-MFKMUULPSA-N 2 0 249.358 1.135 20 0 BDADRP C[N@H+](CCc1cn[nH]c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001194268251 981638441 /nfs/dbraw/zinc/63/84/41/981638441.db2.gz GGVVPFLSNMNOGR-PBWFPOADSA-N 2 0 248.374 1.509 20 0 BDADRP O[C@@]1(C[NH2+][C@@H]2CC3CCC2CC3)CCC[NH2+]C1 ZINC001580880104 981670415 /nfs/dbraw/zinc/67/04/15/981670415.db2.gz JHVHIZAJBDXNJV-PQAZSJQKSA-N 2 0 238.375 1.269 20 0 BDADRP O[C@@]1(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CCC[NH2+]CC1 ZINC001580879918 981671572 /nfs/dbraw/zinc/67/15/72/981671572.db2.gz GUQLWIAXTYUTTJ-RQJABVFESA-N 2 0 238.375 1.269 20 0 BDADRP O[C@@H]1CC[C@@H]2C[N@H+](CC[C@@H]3CCC[NH2+]C3)C[C@H]12 ZINC001580884641 981700461 /nfs/dbraw/zinc/70/04/61/981700461.db2.gz KKLHUCFFVAFJRT-RFQIPJPRSA-N 2 0 238.375 1.079 20 0 BDADRP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2cccs2)C1 ZINC001205664154 981817610 /nfs/dbraw/zinc/81/76/10/981817610.db2.gz MQSFFSITDKGVKK-GFCCVEGCSA-N 2 0 240.372 1.424 20 0 BDADRP C[NH+](C)CC(C)(C)CNCc1ccnc(F)c1 ZINC001351315919 982287193 /nfs/dbraw/zinc/28/71/93/982287193.db2.gz WEVXUKFOOYKCTK-UHFFFAOYSA-N 2 0 239.338 1.898 20 0 BDADRP CC(C)([NH3+])CCNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC001353127633 982706598 /nfs/dbraw/zinc/70/65/98/982706598.db2.gz VSFLEKNQLBHSQN-AWEZNQCLSA-N 2 0 249.358 1.104 20 0 BDADRP C[NH2+]Cc1ccccc1-c1cnn(C2C[NH2+]C2)c1 ZINC001241619825 982852015 /nfs/dbraw/zinc/85/20/15/982852015.db2.gz DQLXAGQRTWOXIW-UHFFFAOYSA-N 2 0 242.326 1.414 20 0 BDADRP CC1([NH3+])CCN(C(=O)c2ccccc2C[NH3+])CC1 ZINC001353622713 982932976 /nfs/dbraw/zinc/93/29/76/982932976.db2.gz LGEVEOGOZKLGEY-UHFFFAOYSA-N 2 0 247.342 1.099 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC001353634896 982943158 /nfs/dbraw/zinc/94/31/58/982943158.db2.gz ULBUSLOHWNYCIO-WOPDTQHZSA-N 2 0 241.379 1.007 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)CC2CC([NH3+])C2)c1 ZINC001353949185 983097589 /nfs/dbraw/zinc/09/75/89/983097589.db2.gz PKNYBAIEFMYLFK-UHFFFAOYSA-N 2 0 247.342 1.520 20 0 BDADRP c1cc(NC[C@H]2CC[N@@H+]2C2CCOCC2)cc[nH+]1 ZINC001354040095 983123272 /nfs/dbraw/zinc/12/32/72/983123272.db2.gz HDOCHMJMWOGGFM-CQSZACIVSA-N 2 0 247.342 1.169 20 0 BDADRP [NH3+]Cc1ccc(-c2cc3c(nn2)CC[NH2+]C3)cc1 ZINC001241911833 983128113 /nfs/dbraw/zinc/12/81/13/983128113.db2.gz DNDIMVXWEKADKQ-UHFFFAOYSA-N 2 0 240.310 1.248 20 0 BDADRP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC001205905225 983130823 /nfs/dbraw/zinc/13/08/23/983130823.db2.gz ZJNWWDAJWTXZHG-OCCSQVGLSA-N 3 0 239.407 1.435 20 0 BDADRP C[C@H](CNc1nccnc1C[NH3+])C[NH+]1CCCC1 ZINC001354078268 983144708 /nfs/dbraw/zinc/14/47/08/983144708.db2.gz BRQATXZIOXZDTH-LLVKDONJSA-N 2 0 249.362 1.079 20 0 BDADRP Cc1cc(N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc[nH+]1 ZINC001354129431 983170211 /nfs/dbraw/zinc/17/02/11/983170211.db2.gz GQSMWNVHINMYSS-QMTHXVAHSA-N 2 0 231.343 1.707 20 0 BDADRP [NH3+]Cc1ccnc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001242020616 983227524 /nfs/dbraw/zinc/22/75/24/983227524.db2.gz ZWGIBHZSJFLZDK-NEPJUHHUSA-N 2 0 215.300 1.448 20 0 BDADRP Cc1cnc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)c(C[NH3+])c1 ZINC001242020479 983228674 /nfs/dbraw/zinc/22/86/74/983228674.db2.gz NAMJLTVUBYTDAE-OLZOCXBDSA-N 2 0 229.327 1.756 20 0 BDADRP CCC[N@@H+]1CCc2onc(Cn3ccnc3)c2C1 ZINC001201636521 983364762 /nfs/dbraw/zinc/36/47/62/983364762.db2.gz BSDANXXWUCNFOK-UHFFFAOYSA-N 2 0 246.314 1.688 20 0 BDADRP CC(C)CCN(CC[NH+](C)C)CC[NH+](C)C ZINC001201623680 983377883 /nfs/dbraw/zinc/37/78/83/983377883.db2.gz CSYSKEPCYMJXHS-UHFFFAOYSA-N 2 0 229.412 1.458 20 0 BDADRP CC[NH+]1C[C@@H]2C[NH+](CCCSC)C[C@H]2C1 ZINC001201698024 983413496 /nfs/dbraw/zinc/41/34/96/983413496.db2.gz VBFKJMHPTIRFDV-VXGBXAGGSA-N 2 0 228.405 1.623 20 0 BDADRP CC(C)[NH2+]CCC(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001355517846 983512221 /nfs/dbraw/zinc/51/22/21/983512221.db2.gz AOJSWRXMRMFOKR-GFCCVEGCSA-N 2 0 241.379 1.023 20 0 BDADRP [NH3+]Cc1ccccc1NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC001355718582 983534529 /nfs/dbraw/zinc/53/45/29/983534529.db2.gz JFVQETAJNXLXJH-LLVKDONJSA-N 2 0 247.342 1.474 20 0 BDADRP CCCC[C@@H](O)C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC001252106777 983652363 /nfs/dbraw/zinc/65/23/63/983652363.db2.gz BDHTXRHBWHAVGO-ZIAGYGMSSA-N 2 0 242.407 1.859 20 0 BDADRP CCCC[C@H](O)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC001252111239 983687657 /nfs/dbraw/zinc/68/76/57/983687657.db2.gz QSWQSZVPKAPVTQ-RUXDESIVSA-N 2 0 242.407 2.000 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC001357457915 983720592 /nfs/dbraw/zinc/72/05/92/983720592.db2.gz PYVXAUXAJJFLPG-SRVKXCTJSA-N 2 0 241.379 1.136 20 0 BDADRP C[NH+]1CCC2(C[NH+](C[C@@H]3CCOC3)C2)CC1 ZINC001202512732 983837247 /nfs/dbraw/zinc/83/72/47/983837247.db2.gz IKHVVDXSKDZNNE-LBPRGKRZSA-N 2 0 224.348 1.051 20 0 BDADRP CCC[NH+]1C[C@@H]2C[NH+](C[C@@H]3CCOC3)C[C@H]2C1 ZINC001202530994 983877020 /nfs/dbraw/zinc/87/70/20/983877020.db2.gz YGJHOUIBSANXSD-BFHYXJOUSA-N 2 0 238.375 1.297 20 0 BDADRP [NH3+]Cc1cccc(-c2ccc3c(c2)C[NH2+]C3)n1 ZINC001242674349 984040520 /nfs/dbraw/zinc/04/05/20/984040520.db2.gz VTTDFTQBPHLDKJ-UHFFFAOYSA-N 2 0 225.295 1.811 20 0 BDADRP C(C[N@@H+]1CCCC[C@@]12CCOC2)C1C[NH2+]C1 ZINC001574800620 984118907 /nfs/dbraw/zinc/11/89/07/984118907.db2.gz JRLUELDVWSVDIV-ZDUSSCGKSA-N 2 0 224.348 1.241 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H]2CC23CC(O)C3)C1 ZINC001576478502 984170808 /nfs/dbraw/zinc/17/08/08/984170808.db2.gz ACJSERAHPQHLKQ-JJMZSNKZSA-N 2 0 238.375 1.268 20 0 BDADRP C[C@@]1(CNCc2ccccc2F)C[NH2+]CCO1 ZINC001576526106 984173901 /nfs/dbraw/zinc/17/39/01/984173901.db2.gz NIJCXKJHIUOVQK-ZDUSSCGKSA-N 2 0 238.306 1.294 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H](N[C@@H]3CC[NH2+]C34CCC4)[C@H]2C1 ZINC001578521180 984214506 /nfs/dbraw/zinc/21/45/06/984214506.db2.gz MMFKELDYNLNYHE-XDQVBPFNSA-N 2 0 249.402 1.201 20 0 BDADRP C[C@H]1C[N@H+](CC2(C)COC2)CCC[C@@H]1C[NH3+] ZINC001205984322 984216765 /nfs/dbraw/zinc/21/67/65/984216765.db2.gz RURHCQDZDMGJAM-NWDGAFQWSA-N 2 0 226.364 1.330 20 0 BDADRP COCC[C@H](C)C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001578994778 984243751 /nfs/dbraw/zinc/24/37/51/984243751.db2.gz LXZBHMJDWRFEBU-NWDGAFQWSA-N 2 0 214.353 1.248 20 0 BDADRP C[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCC[C@@H]1C[NH3+] ZINC001205985432 984319554 /nfs/dbraw/zinc/31/95/54/984319554.db2.gz YEZHZVVEQBTESC-GXTWGEPZSA-N 3 0 239.407 1.293 20 0 BDADRP C[NH2+]Cc1ccc(-c2ncnc3c2C[NH2+]C3)cc1 ZINC001242991109 984353273 /nfs/dbraw/zinc/35/32/73/984353273.db2.gz YMXCUXDVEDAQSM-UHFFFAOYSA-N 2 0 240.310 1.466 20 0 BDADRP C[NH2+]Cc1cccc(-c2ncnc3c2C[NH2+]C3)c1 ZINC001242995728 984359509 /nfs/dbraw/zinc/35/95/09/984359509.db2.gz VLFFSOWZPGGRPC-UHFFFAOYSA-N 2 0 240.310 1.466 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+]Cc1ccc(CCO)cc1)C2 ZINC001580165271 984408403 /nfs/dbraw/zinc/40/84/03/984408403.db2.gz KRDBSWVFRUDTQU-SHARSMKWSA-N 2 0 246.354 1.191 20 0 BDADRP [NH3+][C@H]1CC12CC([NH2+]CC1(CO)CCCC1)C2 ZINC001580167230 984410089 /nfs/dbraw/zinc/41/00/89/984410089.db2.gz WBDNUWTWZBHXTM-AKJDGMEZSA-N 2 0 224.348 1.009 20 0 BDADRP C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)C[NH2+]1 ZINC000718224010 984412905 /nfs/dbraw/zinc/41/29/05/984412905.db2.gz DIUKZJHPDOYRLD-QTJJRWQNSA-N 2 0 236.359 1.236 20 0 BDADRP COCC[NH+]1CCC2(CC[N@H+](C)C2)CC1 ZINC001274980138 984432404 /nfs/dbraw/zinc/43/24/04/984432404.db2.gz FEXVTLOTXBMHQQ-UHFFFAOYSA-N 2 0 212.337 1.051 20 0 BDADRP [NH3+]CC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)CCC1 ZINC001580243609 984472107 /nfs/dbraw/zinc/47/21/07/984472107.db2.gz LHXPCFRIIKUCMQ-MXWKQRLJSA-N 2 0 210.321 1.025 20 0 BDADRP Nc1[nH+]ccn1-c1cccc(C2=CC[NH2+]C2)c1 ZINC001243110596 984573036 /nfs/dbraw/zinc/57/30/36/984573036.db2.gz BWGIUHMJURGDBH-UHFFFAOYSA-N 2 0 226.283 1.441 20 0 BDADRP [NH3+]C1(c2cccc(C3=CC[NH2+]C3)c2)CC1 ZINC001243110553 984573228 /nfs/dbraw/zinc/57/32/28/984573228.db2.gz BIDYQDRFEOKYHA-UHFFFAOYSA-N 2 0 200.285 1.621 20 0 BDADRP [NH3+][C@@H]1CCN(Cc2ccccc2C2=CC[NH2+]C2)C1 ZINC001243111771 984576574 /nfs/dbraw/zinc/57/65/74/984576574.db2.gz OGUTULWPFYBDNT-CQSZACIVSA-N 2 0 243.354 1.206 20 0 BDADRP O[C@]1(C[NH2+][C@H]2CCC[C@H](C3CC3)C2)CC[NH2+]C1 ZINC001580880465 984606746 /nfs/dbraw/zinc/60/67/46/984606746.db2.gz PJCQONUTUHVZIB-MELADBBJSA-N 2 0 238.375 1.269 20 0 BDADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C[C@H](C)[NH3+] ZINC001577734074 984691799 /nfs/dbraw/zinc/69/17/99/984691799.db2.gz DEIBSIJMALSBGR-ZDUSSCGKSA-N 3 0 249.402 1.917 20 0 BDADRP CC[N@H+](CCc1ccccc1)C[C@@H](O)CC[NH3+] ZINC001577728589 984693025 /nfs/dbraw/zinc/69/30/25/984693025.db2.gz HQQIWRIYWKENGG-AWEZNQCLSA-N 2 0 236.359 1.261 20 0 BDADRP CCN(CCc1cncn1C)[C@@H]1CCC[NH2+]C1 ZINC001577731672 984695372 /nfs/dbraw/zinc/69/53/72/984695372.db2.gz YNMPYHMEKYHSFU-CYBMUJFWSA-N 2 0 236.363 1.037 20 0 BDADRP CCN1CCC[C@H]([NH2+][C@H]2CC23CC[NH2+]CC3)C1 ZINC001577770155 984762713 /nfs/dbraw/zinc/76/27/13/984762713.db2.gz ARCKPILCONGJPZ-STQMWFEESA-N 2 0 237.391 1.202 20 0 BDADRP CCOC(=O)[C@@H](C)[C@H](C)[NH2+]CC1(C[NH3+])CCC1 ZINC001577908432 984815800 /nfs/dbraw/zinc/81/58/00/984815800.db2.gz IVEATRGMRUTVPU-QWRGUYRKSA-N 2 0 242.363 1.293 20 0 BDADRP CCOC(=O)C1(C)CC([NH2+][C@@H](C)C[C@@H](C)[NH3+])C1 ZINC001577925241 984820967 /nfs/dbraw/zinc/82/09/67/984820967.db2.gz GOUDJGVJYAYFRR-CFGSLIKFSA-N 2 0 242.363 1.434 20 0 BDADRP CCOC(=O)C1(C)CC([NH2+]CC2([NH3+])CCC2)C1 ZINC001577925616 984821955 /nfs/dbraw/zinc/82/19/55/984821955.db2.gz LVZMJOPDYMXIDQ-UHFFFAOYSA-N 2 0 240.347 1.189 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+][C@H]2C[C@H]([NH3+])C2)C12CCC2 ZINC001578093269 984844775 /nfs/dbraw/zinc/84/47/75/984844775.db2.gz GORUZEDORXTPCM-BJDJZHNGSA-N 2 0 224.348 1.413 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@H]2C[C@H]([NH3+])C2)C12CCC2 ZINC001578093275 984845698 /nfs/dbraw/zinc/84/56/98/984845698.db2.gz GORUZEDORXTPCM-KKOKHZNYSA-N 2 0 224.348 1.413 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]([NH3+])C2)C12CCC2 ZINC001578093271 984846751 /nfs/dbraw/zinc/84/67/51/984846751.db2.gz GORUZEDORXTPCM-DDHJBXDOSA-N 2 0 224.348 1.413 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C2C[NH2+]C2)[C@@H]1SC ZINC001578158473 984857442 /nfs/dbraw/zinc/85/74/42/984857442.db2.gz CYJHBWCQVVXFAK-GMNPVEAJSA-N 2 0 244.404 1.093 20 0 BDADRP CC[C@H](C)[NH+]1CCC([NH3+])(CCOC)CC1 ZINC001257435508 985007936 /nfs/dbraw/zinc/00/79/36/985007936.db2.gz FQGNKPBECSDVHP-NSHDSACASA-N 2 0 214.353 1.615 20 0 BDADRP CN(C)c1ccncc1C[NH2+]CC1CC[NH2+]CC1 ZINC001578428976 985062127 /nfs/dbraw/zinc/06/21/27/985062127.db2.gz KNGYWWQFXDWYGY-UHFFFAOYSA-N 2 0 248.374 1.237 20 0 BDADRP C[N@H+](C[C@H]1CCC[C@@H]1O)CC1(C[NH3+])CCC1 ZINC001578451304 985086005 /nfs/dbraw/zinc/08/60/05/985086005.db2.gz GPMMKSHZSQPADT-NEPJUHHUSA-N 2 0 226.364 1.208 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+]CC2CC[NH+](C)CC2)[C@H](C)O1 ZINC000686509740 985126102 /nfs/dbraw/zinc/12/61/02/985126102.db2.gz LESGAGFHZWTLGH-MBNYWOFBSA-N 2 0 240.391 1.731 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(N)nc3)[C@H]2C1 ZINC001578520910 985141242 /nfs/dbraw/zinc/14/12/42/985141242.db2.gz IXMSFUKBSWHJTH-AVGNSLFASA-N 2 0 246.358 1.094 20 0 BDADRP CN1CC[C@@H]([N@H+](C)CCCCCCC[NH3+])C1=O ZINC001578524809 985149200 /nfs/dbraw/zinc/14/92/00/985149200.db2.gz JLCZQEZWTLLBIT-GFCCVEGCSA-N 2 0 241.379 1.058 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1CNCC(C)(C)C[NH3+] ZINC001578529380 985156278 /nfs/dbraw/zinc/15/62/78/985156278.db2.gz TUCPNQOGXSJXOT-LLVKDONJSA-N 2 0 213.369 1.045 20 0 BDADRP C[N@@H+]1CCCC[C@H]1CNC[C@H]([NH3+])CC(F)F ZINC001578528541 985158100 /nfs/dbraw/zinc/15/81/00/985158100.db2.gz IWDXJHKFAUDOIX-ZJUUUORDSA-N 2 0 235.322 1.043 20 0 BDADRP CN1CCC[C@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC001578529413 985159886 /nfs/dbraw/zinc/15/98/86/985159886.db2.gz UNORREZRBOBOLJ-BFHYXJOUSA-N 2 0 237.391 1.202 20 0 BDADRP CNC(=O)C[C@H](C)[NH2+]C[C@H]([NH3+])CCC(C)(C)C ZINC001578549050 985178554 /nfs/dbraw/zinc/17/85/54/985178554.db2.gz QUMNLWNFYVEAMR-WDEREUQCSA-N 2 0 243.395 1.254 20 0 BDADRP C[NH2+][C@@H](C)CC[NH2+]Cc1ccc(COC)cc1 ZINC001578571216 985211881 /nfs/dbraw/zinc/21/18/81/985211881.db2.gz LCMAKWHSHULMMX-LBPRGKRZSA-N 2 0 236.359 1.921 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC001578627250 985241739 /nfs/dbraw/zinc/24/17/39/985241739.db2.gz MVHNKTNFGVMOJC-QEHJDLSMSA-N 2 0 238.375 1.245 20 0 BDADRP CO[C@@H]1CC[C@@H](C)[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000687189785 985256684 /nfs/dbraw/zinc/25/66/84/985256684.db2.gz AUTGLLVQBHUIFF-GRYCIOLGSA-N 2 0 212.337 1.095 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](CC2(O)CCCCCC2)C1 ZINC001578663560 985278713 /nfs/dbraw/zinc/27/87/13/985278713.db2.gz FPOCWJSFGUFWNO-ZDUSSCGKSA-N 2 0 240.391 1.613 20 0 BDADRP COC(=O)C(C)(C)CC[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC001578766160 985333037 /nfs/dbraw/zinc/33/30/37/985333037.db2.gz ANDFSFRWZUATLA-VHSXEESVSA-N 2 0 242.363 1.291 20 0 BDADRP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC001578787972 985358621 /nfs/dbraw/zinc/35/86/21/985358621.db2.gz GQMQFNNAHBMESS-WRWGMCAJSA-N 2 0 242.363 1.147 20 0 BDADRP COC(C)(C)[C@@H](C)[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001578892616 985458138 /nfs/dbraw/zinc/45/81/38/985458138.db2.gz AOKPUDAFIDGDHJ-DKZWSVDFSA-N 2 0 212.337 1.269 20 0 BDADRP COC(C)(C)[C@H](C)[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001578892617 985464904 /nfs/dbraw/zinc/46/49/04/985464904.db2.gz AOKPUDAFIDGDHJ-GWFPEYJASA-N 2 0 212.337 1.269 20 0 BDADRP CO[C@H](C)CN[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC001578900537 985470363 /nfs/dbraw/zinc/47/03/63/985470363.db2.gz FJKAUNSKZPTKCN-KWCYVHTRSA-N 2 0 234.343 1.367 20 0 BDADRP C[C@H]1COC[C@H]1[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000688022753 985489918 /nfs/dbraw/zinc/48/99/18/985489918.db2.gz GFACLUDVTMQHOG-UONOGXRCSA-N 2 0 240.391 1.733 20 0 BDADRP CO[C@H](C)C[NH2+]C[C@H]1CCC[NH2+]CC1 ZINC001578900949 985490819 /nfs/dbraw/zinc/49/08/19/985490819.db2.gz IILDMFDIZURFMQ-MNOVXSKESA-N 2 0 200.326 1.001 20 0 BDADRP C[C@H]1COC[C@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000688026152 985501521 /nfs/dbraw/zinc/50/15/21/985501521.db2.gz UHCYQBWLRGKUTH-WCQYABFASA-N 2 0 240.391 1.874 20 0 BDADRP C[C@H](O)[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC001459524365 985513174 /nfs/dbraw/zinc/51/31/74/985513174.db2.gz CNLGMUNGMLZULD-RWMBFGLXSA-N 2 0 226.364 1.173 20 0 BDADRP COC1(C[NH2+]C[C@H]2CC[C@@H]([NH3+])C2)CCC1 ZINC001578930024 985537684 /nfs/dbraw/zinc/53/76/84/985537684.db2.gz MUOHYQVZPCYXDD-WDEREUQCSA-N 2 0 212.337 1.273 20 0 BDADRP COC1CCC(C[NH2+][C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001578936752 985548862 /nfs/dbraw/zinc/54/88/62/985548862.db2.gz CJXSHPFYFPASPH-WSVSKBAQSA-N 2 0 212.337 1.271 20 0 BDADRP [NH3+]Cc1cccc(/C=C/C2CC[NH2+]CC2)n1 ZINC001243892899 985563611 /nfs/dbraw/zinc/56/36/11/985563611.db2.gz LTJHKPQULUMUJB-SNAWJCMRSA-N 2 0 217.316 1.553 20 0 BDADRP Nc1cc[nH+]cc1C=CC1CC[NH2+]CC1 ZINC001243895946 985575612 /nfs/dbraw/zinc/57/56/12/985575612.db2.gz JMYQBGDFJYJAGP-OWOJBTEDSA-N 2 0 203.289 1.507 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+]C(C)(C)CSC ZINC001579000899 985620565 /nfs/dbraw/zinc/62/05/65/985620565.db2.gz COFBNCOYDPOYDX-VIFPVBQESA-N 2 0 220.382 1.081 20 0 BDADRP COCC[C@@H]([NH3+])C[NH2+]C[C@@H](OC)C(C)(C)C ZINC001579000928 985647091 /nfs/dbraw/zinc/64/70/91/985647091.db2.gz DABPMWHNAMXBCK-GHMZBOCLSA-N 2 0 232.368 1.001 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+]C[C@H]1CCCC1(C)C ZINC001579003236 985658942 /nfs/dbraw/zinc/65/89/42/985658942.db2.gz CNVHEDWHGOGTRO-NEPJUHHUSA-N 2 0 228.380 1.766 20 0 BDADRP COCC[C@@H]([NH3+])C[NH2+]CCOC1CCCCC1 ZINC001579003707 985662196 /nfs/dbraw/zinc/66/21/96/985662196.db2.gz LMYLMAFNXAMXRL-GFCCVEGCSA-N 2 0 244.379 1.289 20 0 BDADRP COCC[C@@H]([NH3+])C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC001579002950 985664497 /nfs/dbraw/zinc/66/44/97/985664497.db2.gz VVCZCEVWDHEQBU-WYUUTHIRSA-N 2 0 212.337 1.128 20 0 BDADRP C[N@@H+]1CCC2(C1)CC[NH+](Cc1cncnc1)CC2 ZINC001276302022 985672755 /nfs/dbraw/zinc/67/27/55/985672755.db2.gz BPDCOTUPFLOMCB-UHFFFAOYSA-N 2 0 246.358 1.394 20 0 BDADRP CO[C@@]1(C)C[C@H]1[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC001579130309 985808370 /nfs/dbraw/zinc/80/83/70/985808370.db2.gz RQCORJKTNFTBSF-KXNHARMFSA-N 2 0 212.337 1.142 20 0 BDADRP CCSCC[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001460861643 985916413 /nfs/dbraw/zinc/91/64/13/985916413.db2.gz BYNKCGDWXIQQGE-NEPJUHHUSA-N 2 0 228.405 1.623 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CC[NH2+]C2)[C@H](C)CCO1 ZINC001579439910 985925867 /nfs/dbraw/zinc/92/58/67/985925867.db2.gz BJCPGYHWAGFHON-UTUOFQBUSA-N 2 0 212.337 1.095 20 0 BDADRP CCOC(=O)CC[C@@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC001258472965 985938228 /nfs/dbraw/zinc/93/82/28/985938228.db2.gz HUGDJRZSIQVFJH-GRYCIOLGSA-N 2 0 242.363 1.578 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@H]([NH+](C)C)CC1 ZINC001579454453 985939372 /nfs/dbraw/zinc/93/93/72/985939372.db2.gz DBBVLGMUXBPDME-RDBSUJKOSA-N 2 0 239.407 1.258 20 0 BDADRP C[NH2+][C@@H](C)CC[NH2+][C@H](C)C1CCOCC1 ZINC001327841375 986016546 /nfs/dbraw/zinc/01/65/46/986016546.db2.gz WEFFGDOOOZLESW-WDEREUQCSA-N 2 0 214.353 1.389 20 0 BDADRP C[C@H]1[C@@H](O)CCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001579506405 986046256 /nfs/dbraw/zinc/04/62/56/986046256.db2.gz KLVVGNUWEHGCGL-AVGNSLFASA-N 2 0 226.364 1.221 20 0 BDADRP Cc1c[nH]c(=O)c(C[NH2+]C2CCC([NH3+])CC2)c1 ZINC001579543778 986075467 /nfs/dbraw/zinc/07/54/67/986075467.db2.gz HMMGLKAXXKQXQZ-UHFFFAOYSA-N 2 0 235.331 1.455 20 0 BDADRP Cc1cc(CNC[C@]23CCC[C@H]2[NH2+]CC3)on1 ZINC001579601068 986121775 /nfs/dbraw/zinc/12/17/75/986121775.db2.gz IQVXMQULSNWWCA-CHWSQXEVSA-N 2 0 235.331 1.605 20 0 BDADRP CCC[NH+]1CCC(N2CC[C@H]([NH+](C)C)C2)CC1 ZINC001258771727 986151637 /nfs/dbraw/zinc/15/16/37/986151637.db2.gz RABGXVRCQVCGGN-AWEZNQCLSA-N 2 0 239.407 1.497 20 0 BDADRP C[C@@H](O)C(C)(C)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC001461798301 986162197 /nfs/dbraw/zinc/16/21/97/986162197.db2.gz XASUOSBZGPVXPJ-VXGBXAGGSA-N 2 0 242.407 1.856 20 0 BDADRP Cc1cccc([C@H](C)[NH2+]C[C@@]2(O)CCC[NH2+]C2)c1 ZINC001579776305 986220580 /nfs/dbraw/zinc/22/05/80/986220580.db2.gz MPXHWUGXONQGDT-DZGCQCFKSA-N 2 0 248.370 1.760 20 0 BDADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@@]1(O)CCC[NH2+]C1 ZINC001579807047 986225404 /nfs/dbraw/zinc/22/54/04/986225404.db2.gz TZVLSAYJWFFXDI-UKRRQHHQSA-N 2 0 248.370 1.760 20 0 BDADRP Cc1cnn([C@@H]2CC[N@@H+](C[C@@H]3C[NH2+]C[C@H]3C)C2)c1 ZINC001579827606 986250696 /nfs/dbraw/zinc/25/06/96/986250696.db2.gz LRJPCLMACZCCGY-HZSPNIEDSA-N 2 0 248.374 1.294 20 0 BDADRP C[N@H+]1C[C@@H]2C[NH+](C[C@@]3(C)CCCCO3)C[C@@H]2C1 ZINC001462170539 986302971 /nfs/dbraw/zinc/30/29/71/986302971.db2.gz KKRVRYAYERQCMB-HZSPNIEDSA-N 2 0 238.375 1.439 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@H](O)C1 ZINC001258907031 986309886 /nfs/dbraw/zinc/30/98/86/986309886.db2.gz DEXITYAKJNNTHJ-KGLIPLIRSA-N 2 0 242.407 1.954 20 0 BDADRP Cc1nnc([C@@H](C)[NH2+]C2CC3(C[C@@H]3[NH3+])C2)s1 ZINC001579897033 986315821 /nfs/dbraw/zinc/31/58/21/986315821.db2.gz KVBNPHCYCSNJFG-BTNIAZGLSA-N 2 0 238.360 1.377 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001253778246 986413156 /nfs/dbraw/zinc/41/31/56/986413156.db2.gz KDKAEMHYMARTSQ-YVECIDJPSA-N 2 0 226.364 1.218 20 0 BDADRP CC(C)[C@H](O)C[NH2+]CC12CC[NH+](CC1)CC2 ZINC001253780095 986418552 /nfs/dbraw/zinc/41/85/52/986418552.db2.gz CIXTXIACQWYUTE-GFCCVEGCSA-N 2 0 226.364 1.079 20 0 BDADRP FC1(F)[C@@H]2CC[N@H+](CC[C@H]3CC[NH2+]C3)C[C@@H]21 ZINC001580023965 986428837 /nfs/dbraw/zinc/42/88/37/986428837.db2.gz LNOMHKUCIBUEGS-MXWKQRLJSA-N 2 0 230.302 1.573 20 0 BDADRP [NH3+]Cc1ccccc1C[NH2+][C@H]1CCCOC1 ZINC001254367377 986592676 /nfs/dbraw/zinc/59/26/76/986592676.db2.gz CCZHXPLKIHJBSJ-ZDUSSCGKSA-N 2 0 220.316 1.414 20 0 BDADRP [NH3+]C1(C(=O)Nc2ccc3c[nH+]cn3c2)CCC1 ZINC001580139984 986611269 /nfs/dbraw/zinc/61/12/69/986611269.db2.gz MGZSIVADVMRORC-UHFFFAOYSA-N 2 0 230.271 1.154 20 0 BDADRP [NH3+]C1(CC[NH2+]C[C@@H]2CCC=CO2)CCOCC1 ZINC001580144925 986614925 /nfs/dbraw/zinc/61/49/25/986614925.db2.gz MLLNFFYBJLMRGD-LBPRGKRZSA-N 2 0 240.347 1.167 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2O3)C12CCC2 ZINC001580163433 986634798 /nfs/dbraw/zinc/63/47/98/986634798.db2.gz AYOMFNWNVGDVMH-KNZXXDILSA-N 2 0 222.332 1.166 20 0 BDADRP [NH3+][C@H]1CC12CC([NH2+][C@@H]1Cc3ccccc3[C@H]1O)C2 ZINC001580164382 986636793 /nfs/dbraw/zinc/63/67/93/986636793.db2.gz HZEUNQOYCAMYBW-JQFGNSRWSA-N 2 0 244.338 1.114 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+]Cc1cnc3n1CCCC3)C2 ZINC001580165436 986637554 /nfs/dbraw/zinc/63/75/54/986637554.db2.gz LBJHQQZDLJWDPV-KSGYAGIASA-N 2 0 246.358 1.189 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](O)C23CCC3)C12CCC2 ZINC001580165361 986637792 /nfs/dbraw/zinc/63/77/92/986637792.db2.gz UPNRGUAOVAUTDW-NOOOWODRSA-N 2 0 236.359 1.149 20 0 BDADRP [NH3+][C@H]1CC12CC([NH2+][C@H]1CCCSC1)C2 ZINC001580166994 986639916 /nfs/dbraw/zinc/63/99/16/986639916.db2.gz SCSFILGOKPNANE-XEAZBWPWSA-N 2 0 212.362 1.351 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH+]2CCC[C@H](CO)CC2)CC1 ZINC001254516346 986654838 /nfs/dbraw/zinc/65/48/38/986654838.db2.gz LYTDQJPMNMCMPG-UONOGXRCSA-N 2 0 240.391 1.565 20 0 BDADRP COCC1C[NH+]([C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254515880 986664322 /nfs/dbraw/zinc/66/43/22/986664322.db2.gz FXJWWBLVOSSFDZ-GFCCVEGCSA-N 2 0 212.337 1.049 20 0 BDADRP c1cc(N2CC[NH2+]CC2)cc(C2=CCCOC2)[nH+]1 ZINC001245157638 986689415 /nfs/dbraw/zinc/68/94/15/986689415.db2.gz IOTWHXIJVFGPIZ-UHFFFAOYSA-N 2 0 245.326 1.295 20 0 BDADRP [NH3+]CC1(C[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)CC1 ZINC001580243814 986694501 /nfs/dbraw/zinc/69/45/01/986694501.db2.gz LUXITTITOLCZHZ-STQMWFEESA-N 2 0 238.375 1.378 20 0 BDADRP [NH3+]CC12CCC(CC1)[N@@H+]2C[C@@H]1C[C@@]12CCOC2 ZINC001580248098 986705251 /nfs/dbraw/zinc/70/52/51/986705251.db2.gz GVHMHSFQKNJTRA-RJZJGCCBSA-N 2 0 236.359 1.369 20 0 BDADRP [NH3+]C[C@@]12C[N@H+](CCF)C[C@@H]1CCCC2 ZINC001580256434 986712190 /nfs/dbraw/zinc/71/21/90/986712190.db2.gz UGRQYOBYWRIYDB-QWRGUYRKSA-N 2 0 200.301 1.407 20 0 BDADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001580260810 986715726 /nfs/dbraw/zinc/71/57/26/986715726.db2.gz SDNSANRBXNIXQN-ROHXPCBUSA-N 2 0 210.321 1.023 20 0 BDADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2O)C1 ZINC001580260581 986716783 /nfs/dbraw/zinc/71/67/83/986716783.db2.gz PZQBWFZUMSDJRA-PZTHBURQSA-N 2 0 246.354 1.362 20 0 BDADRP [NH3+]CCC1CC([NH2+]C[C@H]2C[NH+]3CCC2CC3)C1 ZINC001580287144 986732302 /nfs/dbraw/zinc/73/23/02/986732302.db2.gz RGFFSJGIRBMIIA-QRMWWUJWSA-N 3 0 237.391 1.045 20 0 BDADRP [NH3+]CCCOCC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001580301094 986739098 /nfs/dbraw/zinc/73/90/98/986739098.db2.gz RWWWNRLYPHIPQP-GRYCIOLGSA-N 2 0 212.337 1.130 20 0 BDADRP [NH3+]Cc1nccnc1NC[C@H]([NH3+])c1ccccc1 ZINC001580354748 986786622 /nfs/dbraw/zinc/78/66/22/986786622.db2.gz FAGGFYWDRFDLDC-NSHDSACASA-N 2 0 243.314 1.047 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCn3cccc3C2)C1 ZINC001580387016 986812689 /nfs/dbraw/zinc/81/26/89/986812689.db2.gz DYDGHZNBOUURKK-NWDGAFQWSA-N 2 0 219.332 1.431 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CCOC23CCCC3)C1 ZINC001580389766 986816530 /nfs/dbraw/zinc/81/65/30/986816530.db2.gz PFPQPRFNLJIBAU-YNEHKIRRSA-N 2 0 238.375 1.805 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC001580423053 986841112 /nfs/dbraw/zinc/84/11/12/986841112.db2.gz NMVLKAGFURMRCI-OSUNSFLBSA-N 2 0 222.332 1.023 20 0 BDADRP [NH3+][C@H]1C[C@H](C(=O)Nc2ccc3c[nH+]cn3c2)C1 ZINC001580426895 986844889 /nfs/dbraw/zinc/84/48/89/986844889.db2.gz GNZGYECGKVZYFN-KYZUINATSA-N 2 0 230.271 1.010 20 0 BDADRP CCO[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000701715278 986855124 /nfs/dbraw/zinc/85/51/24/986855124.db2.gz JALCJDORYKTVDB-GFCCVEGCSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@H]1CC[C@H](N2CCC([NH+]3CCC3)CC2)C[NH2+]1 ZINC000700396040 986855400 /nfs/dbraw/zinc/85/54/00/986855400.db2.gz UDSVEWMQBDPUGQ-JSGCOSHPSA-N 2 0 237.391 1.297 20 0 BDADRP Nc1ncccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001580472621 986869668 /nfs/dbraw/zinc/86/96/68/986869668.db2.gz QJXNFUSPNDGKPE-KGYLQXTDSA-N 2 0 246.358 1.142 20 0 BDADRP CN1CC[C@H]([NH2+]CCCC2CC[NH+](C)CC2)C1 ZINC001255422192 986943104 /nfs/dbraw/zinc/94/31/04/986943104.db2.gz WARHTOIETKHTEV-AWEZNQCLSA-N 2 0 239.407 1.402 20 0 BDADRP [NH3+]Cc1cnccc1-c1cnc2c(c1)C[NH2+]CC2 ZINC001245558024 986945921 /nfs/dbraw/zinc/94/59/21/986945921.db2.gz PAGSRQHLMUBCRT-UHFFFAOYSA-N 2 0 240.310 1.248 20 0 BDADRP [NH3+]Cc1ccc(-c2ccncc2C[NH3+])cc1 ZINC001245559409 986950511 /nfs/dbraw/zinc/95/05/11/986950511.db2.gz YOGWLWUELNSILL-UHFFFAOYSA-N 2 0 213.284 1.666 20 0 BDADRP [NH3+]Cc1cc(-c2ccc3c[nH+]cn3c2)ncn1 ZINC001245895863 987105916 /nfs/dbraw/zinc/10/59/16/987105916.db2.gz IAGSDUYZKIDLPL-UHFFFAOYSA-N 2 0 225.255 1.250 20 0 BDADRP CCC[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256615440 987246241 /nfs/dbraw/zinc/24/62/41/987246241.db2.gz HAVQRWIRMGXXNH-WODVXLOZSA-N 2 0 226.364 1.362 20 0 BDADRP [NH3+]C1(C[NH2+]C[C@@H](O)c2ccccc2)CCCC1 ZINC001245977671 987249714 /nfs/dbraw/zinc/24/97/14/987249714.db2.gz ZFDZJYIAXCXANB-CYBMUJFWSA-N 2 0 234.343 1.581 20 0 BDADRP CCCC[C@H](O)C[NH2+]C[C@H]1CCC[NH2+][C@@H]1C ZINC001245975968 987251928 /nfs/dbraw/zinc/25/19/28/987251928.db2.gz AKSBCWVRDLMQTI-UPJWGTAASA-N 2 0 228.380 1.515 20 0 BDADRP C[C@@](O)(C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC001245983188 987256080 /nfs/dbraw/zinc/25/60/80/987256080.db2.gz GRLYRACWLDKKOF-RBSFLKMASA-N 2 0 248.370 1.754 20 0 BDADRP CCC[C@@H](O)C[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001245979182 987259914 /nfs/dbraw/zinc/25/99/14/987259914.db2.gz IODLVEDBHJWLQR-CHWSQXEVSA-N 2 0 240.391 1.659 20 0 BDADRP CCCC[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC001245982554 987260701 /nfs/dbraw/zinc/26/07/01/987260701.db2.gz FZFOVUUWWUSBQK-IJLUTSLNSA-N 2 0 214.353 1.397 20 0 BDADRP CCCCC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC001245981733 987260709 /nfs/dbraw/zinc/26/07/09/987260709.db2.gz BIHRDXLMTROCET-UPJWGTAASA-N 2 0 228.380 1.787 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1C[NH2+]C[C@@H](O)C(C)(C)C ZINC001245985463 987263141 /nfs/dbraw/zinc/26/31/41/987263141.db2.gz UBJJWKNQMRGMQU-IJLUTSLNSA-N 2 0 228.380 1.229 20 0 BDADRP CCCC[C@H](O)C[NH2+][C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001245998071 987276868 /nfs/dbraw/zinc/27/68/68/987276868.db2.gz KTRHTXOTDDLTTF-MJBXVCDLSA-N 2 0 240.391 1.931 20 0 BDADRP C[C@H]1CC[N@H+](CC2CC[NH+](C)CC2)[C@H]1CO ZINC000691346050 987283446 /nfs/dbraw/zinc/28/34/46/987283446.db2.gz CUHRLPIXKFBTLH-AAEUAGOBSA-N 2 0 226.364 1.031 20 0 BDADRP C[C@@H]1CC[N@H+](CC2CC[NH+](C)CC2)[C@@H]1CO ZINC000691346052 987286507 /nfs/dbraw/zinc/28/65/07/987286507.db2.gz CUHRLPIXKFBTLH-DGCLKSJQSA-N 2 0 226.364 1.031 20 0 BDADRP CCn1ccnc1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000692472305 987291780 /nfs/dbraw/zinc/29/17/80/987291780.db2.gz DBKOGMPEFKKXKQ-NSHDSACASA-N 2 0 222.336 1.074 20 0 BDADRP CCCCC[C@@H](O)C[NH2+]C[C@@H]1CC[NH2+]C[C@@H]1F ZINC001246012231 987291765 /nfs/dbraw/zinc/29/17/65/987291765.db2.gz MCKBGPOMFSBOCH-XQQFMLRXSA-N 2 0 246.370 1.465 20 0 BDADRP [NH3+][C@@H]1CCC[N@H+](C[C@H](O)c2ccccc2)CC1 ZINC001246017021 987300689 /nfs/dbraw/zinc/30/06/89/987300689.db2.gz PRHQDNGGTXOQGI-KGLIPLIRSA-N 2 0 234.343 1.533 20 0 BDADRP CCCC[C@H](O)C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246022033 987312386 /nfs/dbraw/zinc/31/23/86/987312386.db2.gz PCKVBWHPJGMMAP-QWHCGFSZSA-N 2 0 246.370 1.690 20 0 BDADRP CC(C)[C@@H](O)C[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246027715 987323905 /nfs/dbraw/zinc/32/39/05/987323905.db2.gz YGXAODZFSLFGDB-STQMWFEESA-N 2 0 226.364 1.221 20 0 BDADRP CN(CC[NH+]1CCCC1)CC1([NH+](C)C)CCC1 ZINC000782643003 987324104 /nfs/dbraw/zinc/32/41/04/987324104.db2.gz DGGHQTGPMYTWCS-UHFFFAOYSA-N 2 0 239.407 1.498 20 0 BDADRP CC1(C)CN(CCC[NH+]2CCCCC2)C[C@@H]1[NH3+] ZINC000695513784 987333030 /nfs/dbraw/zinc/33/30/30/987333030.db2.gz ABUWKMCWRFEWMF-ZDUSSCGKSA-N 2 0 239.407 1.532 20 0 BDADRP CC1CCC([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246064498 987353049 /nfs/dbraw/zinc/35/30/49/987353049.db2.gz GOIOPBIQEVZLAB-WXRRBKDZSA-N 2 0 237.391 1.249 20 0 BDADRP CCCC[C@@H]1C[C@H](NCC[NH2+]C)CC[NH2+]1 ZINC001246073660 987361050 /nfs/dbraw/zinc/36/10/50/987361050.db2.gz XXNLMZKHHZSGNG-VXGBXAGGSA-N 2 0 213.369 1.106 20 0 BDADRP [NH3+]C[C@@H](N[C@H]1CCCC[NH2+]C1)c1ccccc1 ZINC001246074279 987362582 /nfs/dbraw/zinc/36/25/82/987362582.db2.gz CDTPKLZBIVRPKZ-UONOGXRCSA-N 2 0 233.359 1.418 20 0 BDADRP CCCC[C@@H]1C[C@H](NC2CC[NH2+]CC2)CC[NH2+]1 ZINC001246076122 987363260 /nfs/dbraw/zinc/36/32/60/987363260.db2.gz ASFZHSPANCQWLC-ZIAGYGMSSA-N 2 0 239.407 1.639 20 0 BDADRP C[NH2+]CC[C@H](C)N[C@H](C[NH3+])c1ccccc1 ZINC001246075964 987363302 /nfs/dbraw/zinc/36/33/02/987363302.db2.gz MHHRVKHSUDUDFB-WCQYABFASA-N 2 0 221.348 1.274 20 0 BDADRP Cc1cc(C[N@@H+]2CC[C@H](CC[NH3+])C2)ccn1 ZINC000697863348 987366124 /nfs/dbraw/zinc/36/61/24/987366124.db2.gz KLVNXJGFDKMQHW-LBPRGKRZSA-N 2 0 219.332 1.561 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246082929 987381353 /nfs/dbraw/zinc/38/13/53/987381353.db2.gz ZIBITYZUYQNAGU-MJBXVCDLSA-N 2 0 241.423 1.837 20 0 BDADRP CCCC[C@H](CC)[NH2+]C[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001246085586 987384968 /nfs/dbraw/zinc/38/49/68/987384968.db2.gz XVYHHUAYTMAGRY-RWMBFGLXSA-N 2 0 246.370 1.607 20 0 BDADRP C[C@@H]1CC[C@@H](NC[C@]2(C)CCCC[NH2+]C2)C[NH2+]1 ZINC001246089895 987392454 /nfs/dbraw/zinc/39/24/54/987392454.db2.gz HOADMGCJHFHSQR-MGPQQGTHSA-N 2 0 239.407 1.496 20 0 BDADRP CC(C)OCC[C@H](C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246090124 987394779 /nfs/dbraw/zinc/39/47/79/987394779.db2.gz JATSFPWULMOYNW-STQMWFEESA-N 2 0 228.380 1.922 20 0 BDADRP C[C@@H]1CC[C@H](CN[C@H]2CC[NH2+]C(C)(C)C2)C[NH2+]1 ZINC001246089809 987395111 /nfs/dbraw/zinc/39/51/11/987395111.db2.gz DWWPRRODVKYHEJ-AGIUHOORSA-N 2 0 239.407 1.495 20 0 BDADRP CC(C)[C@@H]1C[C@H](N[C@H]2CCC[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246090323 987395488 /nfs/dbraw/zinc/39/54/88/987395488.db2.gz WHSSQZNXHROGPA-FQUUOJAGSA-N 2 0 239.407 1.623 20 0 BDADRP C1C[C@H]2C[C@@H](N[C@@H]3CCCC[NH2+]C3)C[C@@H]1[NH2+]2 ZINC001246090914 987398656 /nfs/dbraw/zinc/39/86/56/987398656.db2.gz MTBHUGAUFMMJGZ-XQHKEYJVSA-N 2 0 223.364 1.001 20 0 BDADRP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](F)C2)CC[NH2+]1 ZINC001246090739 987399188 /nfs/dbraw/zinc/39/91/88/987399188.db2.gz YQISGFPRSHYVQF-IRCOFANPSA-N 2 0 214.328 1.997 20 0 BDADRP C1C[C@H]2CC(N[C@@H]3CCCC[NH2+]C3)C[C@@H]1[NH2+]2 ZINC001246090910 987399336 /nfs/dbraw/zinc/39/93/36/987399336.db2.gz MTBHUGAUFMMJGZ-DAAZQVBGSA-N 2 0 223.364 1.001 20 0 BDADRP C[C@@H]1CC[C@H](CN[C@@H]2CCC[NH2+]CC2)C[NH2+]1 ZINC001246091889 987399813 /nfs/dbraw/zinc/39/98/13/987399813.db2.gz HSURGKWRUQLCOY-FRRDWIJNSA-N 2 0 225.380 1.106 20 0 BDADRP C1C[C@H]2CC([NH2+][C@@H]3CCCC[NH2+]C3)C[C@@H]1O2 ZINC001246093532 987403238 /nfs/dbraw/zinc/40/32/38/987403238.db2.gz XCHVZKUPQUPTAJ-ODWCKFRGSA-N 2 0 224.348 1.428 20 0 BDADRP CCSC[C@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001246097711 987408159 /nfs/dbraw/zinc/40/81/59/987408159.db2.gz IAXJUPPMZHEIGX-SRVKXCTJSA-N 2 0 230.421 1.963 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+]C2CCSCC2)C[NH2+]1 ZINC001246096355 987407298 /nfs/dbraw/zinc/40/72/98/987407298.db2.gz MIYRNYHEFWKJQC-MNOVXSKESA-N 2 0 228.405 1.860 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCC[NH2+]CC2)C[NH2+]1 ZINC001246096465 987408194 /nfs/dbraw/zinc/40/81/94/987408194.db2.gz UYUOYSUTTDQCHU-UPJWGTAASA-N 3 0 225.380 1.106 20 0 BDADRP C[C@@H]1CC[C@@H](CN[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C[NH2+]1 ZINC001246096927 987409893 /nfs/dbraw/zinc/40/98/93/987409893.db2.gz NQTLJYBKYBTLJR-XGFWRYKXSA-N 2 0 237.391 1.247 20 0 BDADRP COC(=O)CC[C@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H](C)C1 ZINC001246098140 987413817 /nfs/dbraw/zinc/41/38/17/987413817.db2.gz JGEBHXFABRMSLA-WOPDTQHZSA-N 2 0 242.363 1.163 20 0 BDADRP CC[C@@H]1C[C@@H](N[C@H]2C[NH2+]CC[C@H]2C)CC[NH2+]1 ZINC001246100189 987417949 /nfs/dbraw/zinc/41/79/49/987417949.db2.gz WCMZDTFIHVIQDO-NDBYEHHHSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+][C@H]2CCCSC2)C[NH2+]1 ZINC001246101102 987424206 /nfs/dbraw/zinc/42/42/06/987424206.db2.gz VEBWYFVMXNENEF-UTUOFQBUSA-N 2 0 228.405 1.860 20 0 BDADRP CC[C@@H]1C[C@H](NC[C@H]2CC[C@@H](C)[NH2+]C2)CC[NH2+]1 ZINC001246102765 987427679 /nfs/dbraw/zinc/42/76/79/987427679.db2.gz WXEXGZILWZRRST-XJFOESAGSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@H]1CC[C@H](CNC2CC[NH+](C)CC2)C[NH2+]1 ZINC001246103828 987428357 /nfs/dbraw/zinc/42/83/57/987428357.db2.gz XZMLHHNOYXPHGC-RYUDHWBXSA-N 2 0 225.380 1.058 20 0 BDADRP CCOCC[C@H](C)[NH2+]C[C@@H]1CC[C@H](C)C[NH2+]1 ZINC001246104052 987428425 /nfs/dbraw/zinc/42/84/25/987428425.db2.gz INPNRVJABCJRIW-AVGNSLFASA-N 2 0 228.380 1.779 20 0 BDADRP C[C@H]1CC[C@H]([NH2+]CCC2CC[NH2+]CC2)CN1 ZINC001246105509 987433381 /nfs/dbraw/zinc/43/33/81/987433381.db2.gz MQKYXCOQVLZMBU-AAEUAGOBSA-N 2 0 225.380 1.106 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@H]2CCO[C@@H](C)C2)[NH2+]C1 ZINC001246105098 987433972 /nfs/dbraw/zinc/43/39/72/987433972.db2.gz LUJHOSBJLDABJA-MROQNXINSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)[NH2+]C1 ZINC001246106607 987435956 /nfs/dbraw/zinc/43/59/56/987435956.db2.gz DWOZSVMILHOYJE-RKQHYHRCSA-N 2 0 240.391 1.920 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCCC2CC[NH2+]CC2)CC[NH2+]1 ZINC001246106304 987437804 /nfs/dbraw/zinc/43/78/04/987437804.db2.gz PKEOJITZFBLBBC-OCCSQVGLSA-N 3 0 239.407 1.496 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H](C)C[NH2+]2)CCO1 ZINC001246108799 987442193 /nfs/dbraw/zinc/44/21/93/987442193.db2.gz WPEFNHMVOXQNSO-RFQIPJPRSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H]1[NH2+]CCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001246110830 987445179 /nfs/dbraw/zinc/44/51/79/987445179.db2.gz MKIQEKKLGWNAJK-DUJLVANISA-N 2 0 238.375 1.674 20 0 BDADRP CSCC[C@H](C)[NH2+]C[C@H]1C[NH2+]CC[C@@H]1C ZINC001246114045 987448928 /nfs/dbraw/zinc/44/89/28/987448928.db2.gz RWIHKDIYNNEFDC-SDDRHHMPSA-N 2 0 230.421 1.963 20 0 BDADRP COC(=O)CC[C@H](C)[NH2+]C[C@H]1C[NH2+]CC[C@H]1C ZINC001246117283 987459799 /nfs/dbraw/zinc/45/97/99/987459799.db2.gz YWSWLKPFDGGABV-GRYCIOLGSA-N 2 0 242.363 1.163 20 0 BDADRP CCCC[C@@H]1C[C@@H](NC2(C)C[NH2+]C2)CC[NH2+]1 ZINC001246123213 987467236 /nfs/dbraw/zinc/46/72/36/987467236.db2.gz UJPMAKSHHFNDFF-NEPJUHHUSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCCOCC1 ZINC001246122644 987468200 /nfs/dbraw/zinc/46/82/00/987468200.db2.gz YKEHBOVOUJPDSE-UPJWGTAASA-N 2 0 226.364 1.391 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N[C@H]1CCC[NH2+]C1 ZINC001246120982 987469590 /nfs/dbraw/zinc/46/95/90/987469590.db2.gz UCFNBFRUWIUIGH-STQMWFEESA-N 2 0 227.396 1.448 20 0 BDADRP CC[NH+]1CCC(NC[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC001246121847 987469676 /nfs/dbraw/zinc/46/96/76/987469676.db2.gz UKEJWJYXVMZHGQ-QWHCGFSZSA-N 2 0 239.407 1.306 20 0 BDADRP CC[C@@H]1CC(NC2(C)C[NH2+]C2)C[C@@H](CC)[NH2+]1 ZINC001246125821 987471705 /nfs/dbraw/zinc/47/17/05/987471705.db2.gz HJDCNGFODNLRJE-GHMZBOCLSA-N 2 0 225.380 1.247 20 0 BDADRP CC[C@H]1CC(N[C@@H]2C[NH2+]C[C@H]2F)C[C@H](CC)[NH2+]1 ZINC001246127442 987473608 /nfs/dbraw/zinc/47/36/08/987473608.db2.gz KTIOWIOBGXWNAG-YRRQLQLVSA-N 2 0 243.370 1.195 20 0 BDADRP C[NH+](C)CCCCC[NH2+][C@H]1CCCNC1 ZINC001246170940 987478965 /nfs/dbraw/zinc/47/89/65/987478965.db2.gz PBYMNVGIJKQLKU-LBPRGKRZSA-N 2 0 213.369 1.060 20 0 BDADRP C1C[NH2+]C[C@@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC001246130084 987479593 /nfs/dbraw/zinc/47/95/93/987479593.db2.gz RSNPPPVWIQCOTA-QNWHQSFQSA-N 2 0 223.364 1.001 20 0 BDADRP C[C@H]1C[C@H](N[C@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)CC[NH2+]1 ZINC001246133058 987484279 /nfs/dbraw/zinc/48/42/79/987484279.db2.gz NPWGDBBOQXXEQB-ZSLBOAEBSA-N 2 0 237.391 1.105 20 0 BDADRP CC[C@@H]1CC[C@H]([NH2+][C@H]2C[NH2+]CC23CC3)C1 ZINC001246133424 987489016 /nfs/dbraw/zinc/48/90/16/987489016.db2.gz NXHWYFSATUPRNO-WOPDTQHZSA-N 2 0 208.349 1.907 20 0 BDADRP C1CC12C[NH2+]C[C@@H]2[NH2+]C1CCC2(CC[NH2+]C2)CC1 ZINC001246134173 987489116 /nfs/dbraw/zinc/48/91/16/987489116.db2.gz PPARKBVEWHLTMS-MOKVOYLWSA-N 3 0 249.402 1.250 20 0 BDADRP CC[C@@H]1CC(N[C@]23C[C@H]2C[NH2+]C3)C[C@@H](CC)[NH2+]1 ZINC001246133501 987489708 /nfs/dbraw/zinc/48/97/08/987489708.db2.gz JRNIQOPLAHACOY-SFTQSGBHSA-N 2 0 237.391 1.247 20 0 BDADRP C[C@@H]1C[C@@H](N[C@@H]2C[NH2+]Cc3ccsc32)C[NH2+]1 ZINC001246142171 987496887 /nfs/dbraw/zinc/49/68/87/987496887.db2.gz MUPAWDVKJFFEJD-FBIMIBRVSA-N 2 0 237.372 1.232 20 0 BDADRP c1ccc([C@@H]2[NH2+]CC[C@H]2N[C@@H]2CCC[NH2+]C2)cc1 ZINC001246141500 987497975 /nfs/dbraw/zinc/49/79/75/987497975.db2.gz LQIKMVCQEHUWBE-KFWWJZLASA-N 2 0 245.370 1.431 20 0 BDADRP C[C@@H]1CC[C@@H](Nc2ccc(CC[NH3+])cc2)C[NH2+]1 ZINC001246160295 987521457 /nfs/dbraw/zinc/52/14/57/987521457.db2.gz FRYZIKKRNPHMHA-BXUZGUMPSA-N 2 0 233.359 1.740 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]C23CCC([NH3+])(CC2)CC3)CN1 ZINC001246164182 987528150 /nfs/dbraw/zinc/52/81/50/987528150.db2.gz UBHLVQDFVPUIOQ-IWMBGFJWSA-N 2 0 237.391 1.521 20 0 BDADRP CCCC[N@H+](C)CCN[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246167690 987528261 /nfs/dbraw/zinc/52/82/61/987528261.db2.gz AAGQOAZFHXYROR-STQMWFEESA-N 2 0 227.396 1.448 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C2CC3(C2)CC[NH2+]CC3)CC[NH2+]1 ZINC001246168597 987531306 /nfs/dbraw/zinc/53/13/06/987531306.db2.gz DYVJZSOMHNRMRX-RYUDHWBXSA-N 3 0 237.391 1.249 20 0 BDADRP CNc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC001246169856 987534913 /nfs/dbraw/zinc/53/49/13/987534913.db2.gz OHXADSJXWKFTPK-BXUZGUMPSA-N 2 0 233.359 1.958 20 0 BDADRP C[C@H]1C[C@H](NCc2ccccc2N)CC[NH2+]1 ZINC001246173436 987536920 /nfs/dbraw/zinc/53/69/20/987536920.db2.gz UBFVRMPTGZDZDV-CMPLNLGQSA-N 2 0 219.332 1.499 20 0 BDADRP C[NH2+]CC[C@@H](C)NCC[NH2+]Cc1ccccc1 ZINC001246172675 987539989 /nfs/dbraw/zinc/53/99/89/987539989.db2.gz WCZRRKYXMQSLJE-CYBMUJFWSA-N 2 0 235.375 1.364 20 0 BDADRP [NH3+]Cc1cccc(N[C@@H]2CCC[NH2+]C2)c1 ZINC001246175745 987541483 /nfs/dbraw/zinc/54/14/83/987541483.db2.gz AWTCHAPTMXOOLH-GFCCVEGCSA-N 2 0 205.305 1.309 20 0 BDADRP Cc1ncn([C@H]2CC[C@H](C)[NH2+]C2)c1CC[NH3+] ZINC001246175763 987542188 /nfs/dbraw/zinc/54/21/88/987542188.db2.gz AXSMISAHVWUBHH-ONGXEEELSA-N 2 0 222.336 1.006 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)c1ccccc1 ZINC001246176415 987545510 /nfs/dbraw/zinc/54/55/10/987545510.db2.gz QDDYUQQBDLZZKW-OCCSQVGLSA-N 2 0 245.370 1.431 20 0 BDADRP CCCN(CCC[NH3+])[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246179750 987546748 /nfs/dbraw/zinc/54/67/48/987546748.db2.gz RIPQYUKTGJBPIQ-VXGBXAGGSA-N 2 0 213.369 1.188 20 0 BDADRP C[C@H]1CC([NH2+]C[C@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC001246185984 987561761 /nfs/dbraw/zinc/56/17/61/987561761.db2.gz CVJTVSUCCDRVGY-GARJFASQSA-N 2 0 212.337 1.284 20 0 BDADRP CC(C)COCC[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC001246187476 987566696 /nfs/dbraw/zinc/56/66/96/987566696.db2.gz ODRPCBSHYKNZDJ-CHWSQXEVSA-N 2 0 228.380 1.779 20 0 BDADRP C[C@H]1CC[C@@H](N[C@@H]2CCCC[C@@H]2O)C[NH2+]1 ZINC001246186188 987568884 /nfs/dbraw/zinc/56/88/84/987568884.db2.gz GEPYCCGYJNPTOE-QCNOEVLYSA-N 2 0 212.337 1.020 20 0 BDADRP C[C@@H]1CC[C@H](N[C@@H]2CCC[N@H+](C)CC2)C[NH2+]1 ZINC001246190068 987578082 /nfs/dbraw/zinc/57/80/82/987578082.db2.gz OTEGNHNIELYWQX-UPJWGTAASA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H]1CC[C@H](N[C@H]2CCC[N@H+](C)CC2)C[NH2+]1 ZINC001246190065 987578399 /nfs/dbraw/zinc/57/83/99/987578399.db2.gz OTEGNHNIELYWQX-AGIUHOORSA-N 2 0 225.380 1.201 20 0 BDADRP O=C1C[C@@H]2CC([NH2+]C[C@H]3CCC[NH2+]C3)C[C@H]2C1 ZINC001246199692 987597038 /nfs/dbraw/zinc/59/70/38/987597038.db2.gz NCNNBMCEFZVGBI-SRVKXCTJSA-N 2 0 236.359 1.333 20 0 BDADRP [NH3+]Cc1nn(C2CC[NH2+]CC2)c2ccccc12 ZINC001246202294 987599483 /nfs/dbraw/zinc/59/94/83/987599483.db2.gz SSQKFUUJTNCAPV-UHFFFAOYSA-N 2 0 230.315 1.420 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CC[C@H]2CC[C@@H]([NH3+])CC2)CN1 ZINC001246201473 987599925 /nfs/dbraw/zinc/59/99/25/987599925.db2.gz HDLNXFHUPQUUAD-YIYPIFLZSA-N 2 0 239.407 1.624 20 0 BDADRP CC1(C)C[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246207106 987602203 /nfs/dbraw/zinc/60/22/03/987602203.db2.gz UTNQZVSFIOQHJU-IJLUTSLNSA-N 3 0 225.380 1.377 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC001246207168 987602503 /nfs/dbraw/zinc/60/25/03/987602503.db2.gz XBFLSVBUTRCPKP-LPWJVIDDSA-N 2 0 226.364 1.804 20 0 BDADRP C[C@@H]1CC(N[C@@H]2CCC[C@@H]([NH3+])C2)C[C@@H](C)[NH2+]1 ZINC001246206336 987604142 /nfs/dbraw/zinc/60/41/42/987604142.db2.gz ZOJJTMRIYMXDII-DDHJBXDOSA-N 3 0 225.380 1.375 20 0 BDADRP C[C@H]1C[C@H](NC[C@H]2CCC[N@H+](C)C2)CC[NH2+]1 ZINC001246220736 987619229 /nfs/dbraw/zinc/61/92/29/987619229.db2.gz FNNJDUJJOCEHAI-YNEHKIRRSA-N 2 0 225.380 1.058 20 0 BDADRP C([NH2+]C1CC[NH2+]CC1)C1CCC2(COC2)CC1 ZINC001246222325 987620283 /nfs/dbraw/zinc/62/02/83/987620283.db2.gz LZTGBFZEUQNUJI-UHFFFAOYSA-N 2 0 238.375 1.535 20 0 BDADRP CC(C)CC[C@@H](C)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246226751 987623585 /nfs/dbraw/zinc/62/35/85/987623585.db2.gz JLFIBUATFGFDHR-CHWSQXEVSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H]1CC[C@H](NCCOc2cccnc2)C[NH2+]1 ZINC001246229921 987626437 /nfs/dbraw/zinc/62/64/37/987626437.db2.gz LZIBUIUGMUQSAV-NEPJUHHUSA-N 2 0 235.331 1.191 20 0 BDADRP C[C@@H]1C[C@H](n2cc3c(n2)CC[C@H]([NH3+])C3)CC[NH2+]1 ZINC001246238929 987638594 /nfs/dbraw/zinc/63/85/94/987638594.db2.gz QVWJELBWXSNAPG-ADEWGFFLSA-N 2 0 234.347 1.012 20 0 BDADRP CC(C)(C[NH3+])CN[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246250752 987647752 /nfs/dbraw/zinc/64/77/52/987647752.db2.gz RNWHBZAYPMYZJX-NWDGAFQWSA-N 3 0 241.423 1.728 20 0 BDADRP C[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H](O)C2)CC[NH2+]1 ZINC001246249861 987649970 /nfs/dbraw/zinc/64/99/70/987649970.db2.gz RNXMAAPKBCVGHC-FIQHERPVSA-N 2 0 212.337 1.020 20 0 BDADRP C[C@H](C[NH+]1CCC(C)CC1)N[C@H]1CCC[NH2+]C1 ZINC001246255184 987652853 /nfs/dbraw/zinc/65/28/53/987652853.db2.gz JQQAWTIWUPVPFX-KGLIPLIRSA-N 2 0 239.407 1.448 20 0 BDADRP CC(C)[C@H]1C[C@H](NC[C@@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001246289725 987683526 /nfs/dbraw/zinc/68/35/26/987683526.db2.gz VPQRERAYULSEQX-HZSPNIEDSA-N 2 0 239.407 1.495 20 0 BDADRP CC[C@@H]1CC(N[C@H](C)CC[NH3+])C[C@@H](CC)[NH2+]1 ZINC001246301676 987697108 /nfs/dbraw/zinc/69/71/08/987697108.db2.gz UVSQUMQTHALNTE-IJLUTSLNSA-N 2 0 227.396 1.623 20 0 BDADRP CC(C)[C@H]1C[C@H](NCC[C@H](C)[NH3+])CC[NH2+]1 ZINC001246306182 987705328 /nfs/dbraw/zinc/70/53/28/987705328.db2.gz QLFUCLUPNYQJFJ-QJPTWQEYSA-N 2 0 213.369 1.090 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246307346 987709652 /nfs/dbraw/zinc/70/96/52/987709652.db2.gz WXZVYGHPWRDOGC-AVGNSLFASA-N 3 0 225.380 1.236 20 0 BDADRP C[C@H]1CC[C@@H](n2cccc2CC[NH3+])C[NH2+]1 ZINC001246310897 987710476 /nfs/dbraw/zinc/71/04/76/987710476.db2.gz OMRBPIVLSYYWQV-CMPLNLGQSA-N 2 0 207.321 1.302 20 0 BDADRP CC[C@@H]([NH3+])CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001246310974 987710487 /nfs/dbraw/zinc/71/04/87/987710487.db2.gz BJDBRTZAECGEGB-LPWJVIDDSA-N 2 0 225.380 1.329 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@H](C)CCOCC(C)C ZINC001246313664 987717611 /nfs/dbraw/zinc/71/76/11/987717611.db2.gz JYSPYTJMPFPSJR-NEPJUHHUSA-N 2 0 216.369 1.765 20 0 BDADRP CC[C@H]([NH3+])C[NH2+]C1CCC([NH+](C)C)CC1 ZINC001246316354 987718977 /nfs/dbraw/zinc/71/89/77/987718977.db2.gz ZBIOMUCQJMYSHR-UNXYVOJBSA-N 3 0 213.369 1.186 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CCO[C@@H](CC)C1 ZINC001246314755 987719683 /nfs/dbraw/zinc/71/96/83/987719683.db2.gz PUZRNIZBBGYGDG-AXFHLTTASA-N 2 0 200.326 1.271 20 0 BDADRP C[C@H]1C[C@@H](N[C@@H](C[NH3+])c2ccccc2)CC[NH2+]1 ZINC001246316111 987719715 /nfs/dbraw/zinc/71/97/15/987719715.db2.gz LYVKZVNRXZWOJK-UBHSHLNASA-N 2 0 233.359 1.417 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+]C1CCC2(C[NH2+]C2)CC1 ZINC001246314876 987720142 /nfs/dbraw/zinc/72/01/42/987720142.db2.gz ZSULJXUWVUETSQ-LBPRGKRZSA-N 3 0 239.407 1.482 20 0 BDADRP CO[C@@H](C)C[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC001474426068 987720910 /nfs/dbraw/zinc/72/09/10/987720910.db2.gz QWQDEQOOCXRDGM-LBPRGKRZSA-N 2 0 228.380 1.733 20 0 BDADRP CC[C@H]([NH3+])CN[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001246319279 987723490 /nfs/dbraw/zinc/72/34/90/987723490.db2.gz UTKRTARNYLENGW-GJZGRUSLSA-N 2 0 247.386 1.588 20 0 BDADRP [NH2+]=C(NC1CC[NH2+]CC1)c1cccnc1Cl ZINC001246321047 987727401 /nfs/dbraw/zinc/72/74/01/987727401.db2.gz AVBQEQNEVSEZNZ-UHFFFAOYSA-N 2 0 238.722 1.402 20 0 BDADRP [NH2+]=C(N[C@H]1CCC[NH2+]C1)c1cccnc1Cl ZINC001246322207 987728510 /nfs/dbraw/zinc/72/85/10/987728510.db2.gz GKNXFGAWTNDRJF-QMMMGPOBSA-N 2 0 238.722 1.402 20 0 BDADRP CC(C)[C@@H]1C[C@H](N[C@@H]2CCC[NH2+][C@@H]2C)CC[NH2+]1 ZINC001246323543 987728632 /nfs/dbraw/zinc/72/86/32/987728632.db2.gz BBFHFFXUEFWZJC-SYQHCUMBSA-N 2 0 239.407 1.493 20 0 BDADRP CC[C@H]1C[C@@H](N[C@H]2CCC[NH2+][C@@H]2C)CC[NH2+]1 ZINC001246326481 987731273 /nfs/dbraw/zinc/73/12/73/987731273.db2.gz PIPHHBQFWNDUEK-VOAKCMCISA-N 2 0 225.380 1.247 20 0 BDADRP C[C@H]1[NH2+]CCC[C@H]1N[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246324651 987731871 /nfs/dbraw/zinc/73/18/71/987731871.db2.gz IRMDQGFUYDGLOQ-IJLUTSLNSA-N 2 0 225.380 1.247 20 0 BDADRP C[C@@H]1C[C@@H](Nc2ccc(C[NH3+])nc2)CC[NH2+]1 ZINC001246327059 987732295 /nfs/dbraw/zinc/73/22/95/987732295.db2.gz RANGECWUIRQMDC-ZJUUUORDSA-N 2 0 220.320 1.093 20 0 BDADRP C[C@@H]1CC(N[C@@H]2CCC[NH2+][C@@H]2C)C[C@@H](C)[NH2+]1 ZINC001246329086 987735475 /nfs/dbraw/zinc/73/54/75/987735475.db2.gz OKDISISQJBTOHP-PRULPYPASA-N 2 0 225.380 1.246 20 0 BDADRP [NH3+]C[C@H]1CN(C2CC[NH2+]CC2)c2ccccc21 ZINC001246329357 987735974 /nfs/dbraw/zinc/73/59/74/987735974.db2.gz VVZKWYWTSSWUBL-NSHDSACASA-N 2 0 231.343 1.301 20 0 BDADRP C[C@H]1CC(N[C@H]2C[NH2+]CC[C@@H]2C)C[C@H](C)[NH2+]1 ZINC001246331969 987738700 /nfs/dbraw/zinc/73/87/00/987738700.db2.gz PDVWIGAHNKASIH-ZPFDUUQYSA-N 2 0 225.380 1.103 20 0 BDADRP CC(C)[C@H]1C[C@@H](N[C@H]2C[NH2+]CC[C@@H]2C)CC[NH2+]1 ZINC001246332718 987739465 /nfs/dbraw/zinc/73/94/65/987739465.db2.gz SPTMQABKVNIHCT-FQUUOJAGSA-N 2 0 239.407 1.351 20 0 BDADRP C[C@@H]1CC[C@@H](N[C@@]23CC[C@@]([NH3+])(C2)CCC3)C[NH2+]1 ZINC001246333315 987741893 /nfs/dbraw/zinc/74/18/93/987741893.db2.gz LLOSKQKYGLMYOK-SYQHCUMBSA-N 2 0 237.391 1.521 20 0 BDADRP [NH3+]CCC1CCC([NH2+][C@H]2CCCNC2)CC1 ZINC001246335766 987745045 /nfs/dbraw/zinc/74/50/45/987745045.db2.gz MDYYECHKLZLIPA-BPCQOVAHSA-N 2 0 225.380 1.236 20 0 BDADRP [NH3+][C@@]12CC[C@@]([NH2+][C@@H]3CCC4(C[NH2+]C4)C3)(C1)CCC2 ZINC001246339998 987748006 /nfs/dbraw/zinc/74/80/06/987748006.db2.gz JSHZAMGCRKXMFO-VHDGCEQUSA-N 3 0 249.402 1.522 20 0 BDADRP C[C@H]1C[C@@H](NCC[NH+]2CCC(F)CC2)CC[NH2+]1 ZINC001246338674 987748171 /nfs/dbraw/zinc/74/81/71/987748171.db2.gz ADKBBGGCLPABHL-AAEUAGOBSA-N 2 0 243.370 1.150 20 0 BDADRP C[C@H]1C[C@H](N[C@@]23CC[C@@]([NH3+])(C2)CCC3)C[NH2+]1 ZINC001246338816 987748972 /nfs/dbraw/zinc/74/89/72/987748972.db2.gz GUAABXSQPGQXAL-RVMXOQNASA-N 2 0 223.364 1.131 20 0 BDADRP COC(CCC[NH2+][C@@H]1CC[NH2+][C@@H](C)C1)OC ZINC001246342456 987751504 /nfs/dbraw/zinc/75/15/04/987751504.db2.gz OWPXGMDAPAEACE-WDEREUQCSA-N 2 0 230.352 1.116 20 0 BDADRP CC[C@@H]1C[C@@H](N2C=C(N)C=CC2)C[C@H](CC)[NH2+]1 ZINC001246355995 987763698 /nfs/dbraw/zinc/76/36/98/987763698.db2.gz RIKSHQQUOLEZRX-BTTYYORXSA-N 2 0 235.375 1.968 20 0 BDADRP C[NH2+]CC[C@H](C)[NH2+]CCCc1cccc(N)c1 ZINC001246355067 987765435 /nfs/dbraw/zinc/76/54/35/987765435.db2.gz HKCUJVREOPAFAE-LBPRGKRZSA-N 2 0 235.375 1.789 20 0 BDADRP C1CCC([N@@H+]2CC[C@@H](N[C@H]3CCC[NH2+]C3)C2)C1 ZINC001246361487 987766649 /nfs/dbraw/zinc/76/66/49/987766649.db2.gz OOONUJKEAQHMRV-QWHCGFSZSA-N 2 0 237.391 1.345 20 0 BDADRP C(C1CCC1)[N@@H+]1CC[C@H](N[C@H]2CCC[NH2+]C2)C1 ZINC001246359173 987768246 /nfs/dbraw/zinc/76/82/46/987768246.db2.gz FLDSGRWGYHUWKX-KBPBESRZSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H]([NH+](C)C)CC2)CC[NH2+]1 ZINC001246366437 987772905 /nfs/dbraw/zinc/77/29/05/987772905.db2.gz IXQHHNKHHIOLSG-YIYPIFLZSA-N 3 0 239.407 1.589 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C2CCC3(C[NH2+]C3)CC2)CC[NH2+]1 ZINC001246379273 987777259 /nfs/dbraw/zinc/77/72/59/987777259.db2.gz MOFPKESKSVYZKN-YPMHNXCESA-N 3 0 237.391 1.249 20 0 BDADRP CCCCCC[C@H](C)[NH2+]CCNCC[NH3+] ZINC001246402833 987782982 /nfs/dbraw/zinc/78/29/82/987782982.db2.gz BPTOBNGQRKVFAU-LBPRGKRZSA-N 2 0 215.385 1.483 20 0 BDADRP CCCCC[C@@H](CC)[NH2+]CCNCC[NH3+] ZINC001246402586 987784559 /nfs/dbraw/zinc/78/45/59/987784559.db2.gz AYAAKKXFJRNHTF-GFCCVEGCSA-N 2 0 215.385 1.483 20 0 BDADRP CC(C)(C)C1CCC([NH2+]CCNCC[NH3+])CC1 ZINC001246406264 987787623 /nfs/dbraw/zinc/78/76/23/987787623.db2.gz SPSPXZQZDJFFJD-UHFFFAOYSA-N 2 0 241.423 1.729 20 0 BDADRP C1CC12CCC([NH2+][C@H]1CC13C[NH2+]C3)CC2 ZINC001246445837 987791362 /nfs/dbraw/zinc/79/13/62/987791362.db2.gz PYWITJBRGHGYCS-NSHDSACASA-N 2 0 206.333 1.661 20 0 BDADRP C([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C1(CC2CC2)CC1 ZINC001246433572 987794919 /nfs/dbraw/zinc/79/49/19/987794919.db2.gz RGXHGYYOBDQRLG-ZDUSSCGKSA-N 2 0 249.402 1.250 20 0 BDADRP Cc1cccc(C2(CN[C@@H]3CCC[NH2+]C3)CC2)n1 ZINC001246440439 987797563 /nfs/dbraw/zinc/79/75/63/987797563.db2.gz TYKVSGUDGJRULH-CYBMUJFWSA-N 2 0 245.370 1.763 20 0 BDADRP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CC12C[NH2+]C2 ZINC001246441809 987799414 /nfs/dbraw/zinc/79/94/14/987799414.db2.gz ACTZPFIEBGEQFX-ZWNOBZJWSA-N 2 0 234.318 1.708 20 0 BDADRP CCN1CC[C@@H]1C[NH2+]CC1CC[NH+](CC)CC1 ZINC001474683492 987800815 /nfs/dbraw/zinc/80/08/15/987800815.db2.gz ZTVFEQYILXHONG-CQSZACIVSA-N 2 0 239.407 1.402 20 0 BDADRP COc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC13C[NH2+]C3)C2 ZINC001246443989 987801833 /nfs/dbraw/zinc/80/18/33/987801833.db2.gz JCSNTVSDPJZDNE-JSGCOSHPSA-N 2 0 244.338 1.114 20 0 BDADRP CC(C)(C)[C@@H]1C[C@@H](N[C@@H]2CC23C[NH2+]C3)CC[NH2+]1 ZINC001246443163 987801948 /nfs/dbraw/zinc/80/19/48/987801948.db2.gz GFSOQACXSQKQFE-SDDRHHMPSA-N 2 0 237.391 1.105 20 0 BDADRP C(C1CC1)C1([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246443520 987802135 /nfs/dbraw/zinc/80/21/35/987802135.db2.gz HHQJIXOOUNRNBQ-LBPRGKRZSA-N 2 0 235.375 1.003 20 0 BDADRP CC[C@@H]1C[C@@H](N[C@H]2CC23C[NH2+]C3)C[C@H](CC)[NH2+]1 ZINC001246444253 987803739 /nfs/dbraw/zinc/80/37/39/987803739.db2.gz JDLJVLVQOWGSMX-RNJOBUHISA-N 2 0 237.391 1.247 20 0 BDADRP C1[C@H]([NH2+]C2CCC3(CCC[NH2+]C3)CC2)C12C[NH2+]C2 ZINC001246445149 987803810 /nfs/dbraw/zinc/80/38/10/987803810.db2.gz MVLBKOKDHKUDAV-MOKVOYLWSA-N 3 0 249.402 1.250 20 0 BDADRP CC[C@H](CC(C)C)[NH2+]CCCNCCC[NH3+] ZINC001246454914 987808828 /nfs/dbraw/zinc/80/88/28/987808828.db2.gz VFYMLNSCHWYAON-CYBMUJFWSA-N 2 0 229.412 1.729 20 0 BDADRP C[C@@H]1CCC[C@H]([NH2+]CCCNCCC[NH3+])C1 ZINC001246453947 987810160 /nfs/dbraw/zinc/81/01/60/987810160.db2.gz RKEVRXKCCNEVTH-OLZOCXBDSA-N 2 0 227.396 1.483 20 0 BDADRP CC[C@]1(N[C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)CC[NH2+]C1 ZINC001246464703 987822827 /nfs/dbraw/zinc/82/28/27/987822827.db2.gz SSMMDBZWTISUHN-RNJOBUHISA-N 2 0 225.380 1.247 20 0 BDADRP c1cc2c(c(C[NH2+]C3CC[NH2+]CC3)c1)CCN2 ZINC001246472527 987829208 /nfs/dbraw/zinc/82/92/08/987829208.db2.gz YLLDYCJQJFOMGO-UHFFFAOYSA-N 2 0 231.343 1.496 20 0 BDADRP [NH3+][C@@H]1CCCC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246475348 987831831 /nfs/dbraw/zinc/83/18/31/987831831.db2.gz FZWULDRIMNOFPF-KTCIRNNBSA-N 2 0 223.364 1.129 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)C1 ZINC001246477309 987835720 /nfs/dbraw/zinc/83/57/20/987835720.db2.gz NWARXFLDHBVNSZ-KXNHARMFSA-N 2 0 214.328 1.712 20 0 BDADRP [NH3+]C[C@H]1Cc2ccccc2CN1[C@@H]1CCC[NH2+]C1 ZINC001246481070 987837684 /nfs/dbraw/zinc/83/76/84/987837684.db2.gz BOUAEVWDELXKEA-HUUCEWRRSA-N 2 0 245.370 1.124 20 0 BDADRP C[C@H](Cc1ccco1)[NH2+]C[C@@H]1CC[NH2+]C[C@@H]1F ZINC001246478940 987837769 /nfs/dbraw/zinc/83/77/69/987837769.db2.gz ZQFLJFMIGTXMCZ-MDZLAQPJSA-N 2 0 240.322 1.748 20 0 BDADRP C[C@@H](Cc1ccco1)[NH2+]C[C@@H]1CC[NH2+]C[C@@H]1F ZINC001246478937 987837777 /nfs/dbraw/zinc/83/77/77/987837777.db2.gz ZQFLJFMIGTXMCZ-GVXVVHGQSA-N 2 0 240.322 1.748 20 0 BDADRP [NH3+][C@@H]1CCCC[C@@H]1[NH2+]C1CCC2(COC2)CC1 ZINC001246478506 987838325 /nfs/dbraw/zinc/83/83/25/987838325.db2.gz OTMHGDLEECUKDW-OLZOCXBDSA-N 2 0 238.375 1.805 20 0 BDADRP C[C@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2[NH3+])CCO1 ZINC001246479883 987838868 /nfs/dbraw/zinc/83/88/68/987838868.db2.gz VQJFCBHBIZSYDV-QCNOEVLYSA-N 2 0 212.337 1.413 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2[NH3+])CCO1 ZINC001246479879 987839154 /nfs/dbraw/zinc/83/91/54/987839154.db2.gz VQJFCBHBIZSYDV-KKOKHZNYSA-N 2 0 212.337 1.413 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCc2ccc(C[NH3+])cc2)CC[NH2+]1 ZINC001246482712 987842186 /nfs/dbraw/zinc/84/21/86/987842186.db2.gz IHSPDFSRKVRREO-SWLSCSKDSA-N 3 0 247.386 1.418 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C2CC3(C2)CCC[NH2+]C3)CN1 ZINC001246490522 987844716 /nfs/dbraw/zinc/84/47/16/987844716.db2.gz DCHPTFMRKFPNJC-KBHBFKLGSA-N 2 0 237.391 1.249 20 0 BDADRP C[C@@H]1CC[C@H](NCCc2ccc(C[NH3+])cc2)C[NH2+]1 ZINC001246487002 987845166 /nfs/dbraw/zinc/84/51/66/987845166.db2.gz YWPLLVZMVIUECX-DOMZBBRYSA-N 2 0 247.386 1.418 20 0 BDADRP CCOC(=O)CC1([NH2+][C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246493039 987848118 /nfs/dbraw/zinc/84/81/18/987848118.db2.gz XLWAWDZHLSUKOX-GHMZBOCLSA-N 2 0 240.347 1.202 20 0 BDADRP C[NH2+][C@H]1C[C@@H](N[C@H]2CC[NH2+][C@@H](C(C)C)C2)C1 ZINC001246494925 987849362 /nfs/dbraw/zinc/84/93/62/987849362.db2.gz IHRBZBGNZDFQJU-WUHRBBMRSA-N 2 0 225.380 1.103 20 0 BDADRP CCCC(C[NH3+])(CCC)N[C@H]1CCC[NH2+]C1 ZINC001246498299 987853145 /nfs/dbraw/zinc/85/31/45/987853145.db2.gz VTDMOUSQLDWXCO-LBPRGKRZSA-N 2 0 227.396 1.626 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CC[C@H](C)NC1)C1CC[NH2+]CC1 ZINC001246500211 987856049 /nfs/dbraw/zinc/85/60/49/987856049.db2.gz PWIYDUBDPYDVJC-DMDPSCGWSA-N 2 0 225.380 1.105 20 0 BDADRP CCCC[C@H]1C[C@@H](N(C)CC[NH3+])CC[NH2+]1 ZINC001246522146 987872761 /nfs/dbraw/zinc/87/27/61/987872761.db2.gz ADKDXIIOKLQTMK-RYUDHWBXSA-N 2 0 213.369 1.188 20 0 BDADRP C[NH2+]C1CN([C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC001246526876 987878462 /nfs/dbraw/zinc/87/84/62/987878462.db2.gz KAFFSYRFPRBCCZ-LSDHHAIUSA-N 2 0 245.370 1.383 20 0 BDADRP CN(CC[NH3+])[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246528054 987882746 /nfs/dbraw/zinc/88/27/46/987882746.db2.gz OAQAOLVUUNJBGN-GFCCVEGCSA-N 2 0 225.380 1.332 20 0 BDADRP CC(C)(C)[NH+]1CCC(N2C[C@@H](F)[C@@H]([NH3+])C2)CC1 ZINC001246531365 987887806 /nfs/dbraw/zinc/88/78/06/987887806.db2.gz QBEUIBSSFFTCRU-NEPJUHHUSA-N 2 0 243.370 1.230 20 0 BDADRP C[NH2+]C1CN(C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246529263 987887897 /nfs/dbraw/zinc/88/78/97/987887897.db2.gz RTFGNHNJHMUYHM-UHFFFAOYSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@]1([NH3+])CCN([C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC001246532653 987890999 /nfs/dbraw/zinc/89/09/99/987890999.db2.gz XRONGCLOHDPSBZ-LOWDOPEQSA-N 2 0 223.364 1.083 20 0 BDADRP C[C@H]1CC[C@@H](C[NH3+])N1C1CC[NH+](C2CC2)CC1 ZINC001246537796 987898620 /nfs/dbraw/zinc/89/86/20/987898620.db2.gz LFUAYSMLWLJZFL-FZMZJTMJSA-N 2 0 237.391 1.425 20 0 BDADRP C[C@@H]1C[C@@H](N2CCC[C@](C)([NH3+])C2)C[C@H](C)[NH2+]1 ZINC001246540213 987901841 /nfs/dbraw/zinc/90/18/41/987901841.db2.gz LYJVMSJUXLBOIA-RNJOBUHISA-N 2 0 225.380 1.329 20 0 BDADRP C[C@@H](Cc1ccccn1)[NH+]1CCC(C[NH3+])CC1 ZINC001246540627 987901901 /nfs/dbraw/zinc/90/19/01/987901901.db2.gz WJMMRWCMDMHWMF-LBPRGKRZSA-N 2 0 233.359 1.683 20 0 BDADRP CCCC[C@H]1C[C@@H](N2CC[C@@H]([NH3+])[C@H]2C)CC[NH2+]1 ZINC001246541400 987908651 /nfs/dbraw/zinc/90/86/51/987908651.db2.gz HJIRELMTUONQFK-ZOBORPQBSA-N 2 0 239.407 1.719 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2CC[NH2+]CC[C@@H]2C)CC[NH2+]1 ZINC001246547038 987926507 /nfs/dbraw/zinc/92/65/07/987926507.db2.gz AJTANPLYLPLSAV-MJBXVCDLSA-N 2 0 239.407 1.447 20 0 BDADRP CCSC[C@H](C)[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246547734 987927950 /nfs/dbraw/zinc/92/79/50/987927950.db2.gz MXCCFOHKHKJQSS-GARJFASQSA-N 2 0 216.394 1.655 20 0 BDADRP C[C@@]1([NH3+])CCC[N@@H+]([C@@H]2CCSC2)CC1 ZINC001246549165 987938283 /nfs/dbraw/zinc/93/82/83/987938283.db2.gz HOFIJIRDNYGTMG-GHMZBOCLSA-N 2 0 214.378 1.695 20 0 BDADRP CC[NH+]1CCC(N2CCC[C@@H]([NH3+])CC2)CC1 ZINC001246550721 987943591 /nfs/dbraw/zinc/94/35/91/987943591.db2.gz YGASVRDKWYVRRR-GFCCVEGCSA-N 3 0 225.380 1.284 20 0 BDADRP [NH3+]C[C@]1(F)CCC[N@@H+]([C@@H]2CCSC2)CC1 ZINC001246550860 987948320 /nfs/dbraw/zinc/94/83/20/987948320.db2.gz ORTWYJBIEJHBSK-MNOVXSKESA-N 2 0 232.368 1.645 20 0 BDADRP C[NH2+]C[C@@H]1CCCN([C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC001246551945 987952671 /nfs/dbraw/zinc/95/26/71/987952671.db2.gz SSYCWFCMIGGAKC-AGIUHOORSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@]1([NH3+])CCCN([C@@H]2CCCC[NH2+]C2)CC1 ZINC001246553462 987962441 /nfs/dbraw/zinc/96/24/41/987962441.db2.gz SLXIQTIZSBYQKV-CHWSQXEVSA-N 2 0 225.380 1.332 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)CCO1 ZINC001246555364 987965636 /nfs/dbraw/zinc/96/56/36/987965636.db2.gz DUEHSHMGSRWCKP-YIYPIFLZSA-N 2 0 240.391 1.861 20 0 BDADRP C[NH2+]CC[C@@H](C)N1CCC[C@](C)([NH3+])CC1 ZINC001246555601 987966709 /nfs/dbraw/zinc/96/67/09/987966709.db2.gz XUFFQHRGKZYQKK-NEPJUHHUSA-N 2 0 213.369 1.188 20 0 BDADRP C[C@@H]1CC(N2CCC[C@@](C)([NH3+])CC2)C[C@@H](C)[NH2+]1 ZINC001246556237 987970779 /nfs/dbraw/zinc/97/07/79/987970779.db2.gz YUCLTAQBKQAEHJ-YRGRVCCFSA-N 2 0 239.407 1.719 20 0 BDADRP C[C@H](CC1CC1)[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246556875 987978172 /nfs/dbraw/zinc/97/81/72/987978172.db2.gz GTCGAGMFQQBNEV-YPMHNXCESA-N 2 0 226.364 1.351 20 0 BDADRP CC(C)=CCC[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246557176 987978442 /nfs/dbraw/zinc/97/84/42/987978442.db2.gz FKQFUYZRHDVMDL-YNEHKIRRSA-N 2 0 226.364 1.515 20 0 BDADRP CCCC[C@H](C)[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246557923 987978829 /nfs/dbraw/zinc/97/88/29/987978829.db2.gz JHGVFRPSZNQFEP-STQMWFEESA-N 2 0 228.380 1.741 20 0 BDADRP CC(C)[C@H]1C[C@@H](N2C[C@@H](C)[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246559629 987982036 /nfs/dbraw/zinc/98/20/36/987982036.db2.gz DOSIQHCZHZCXDT-YVECIDJPSA-N 2 0 225.380 1.042 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC[NH2+]CC2)CCC1(F)F ZINC001246561304 987992637 /nfs/dbraw/zinc/99/26/37/987992637.db2.gz GFCMMTDFGAMZNJ-SECBINFHSA-N 2 0 218.291 1.716 20 0 BDADRP C[C@H](Cc1ccncc1)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246561779 987996054 /nfs/dbraw/zinc/99/60/54/987996054.db2.gz LPYDWEWLPHPVHF-NQBHXWOUSA-N 2 0 219.332 1.292 20 0 BDADRP C[C@@H]1CC[C@H](N2CC[C@H](C)[C@@H](C[NH3+])CC2)C[NH2+]1 ZINC001246562710 988002121 /nfs/dbraw/zinc/00/21/21/988002121.db2.gz WDUHZFRSOKVWSG-DGAVXFQQSA-N 2 0 239.407 1.434 20 0 BDADRP C[C@@H]1CC[C@H]([N@@H+]2CCCC[C@](O)(C[NH3+])C2)C1 ZINC001246563530 988009062 /nfs/dbraw/zinc/00/90/62/988009062.db2.gz VHLATRKRJMQHPQ-AGIUHOORSA-N 2 0 226.364 1.351 20 0 BDADRP C[NH2+]CC[C@H](C)[N@@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001246564518 988011299 /nfs/dbraw/zinc/01/12/99/988011299.db2.gz XQGIKSBYTOBIFQ-AVGNSLFASA-N 3 0 227.396 1.291 20 0 BDADRP C[C@@H]1CN([C@@H]2CCCC[NH2+]C2)CCC[C@@H]1C[NH3+] ZINC001246564737 988011737 /nfs/dbraw/zinc/01/17/37/988011737.db2.gz GJXRQVYCSQZCQT-MGPQQGTHSA-N 2 0 239.407 1.435 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2CC[C@@H](C)[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246566752 988027057 /nfs/dbraw/zinc/02/70/57/988027057.db2.gz IMXOAWOXLUTLCW-MQYQWHSLSA-N 2 0 239.407 1.432 20 0 BDADRP CC[N@@H+]1CC[C@H](N2C[C@@H](C)CC[C@H]2C[NH3+])C1 ZINC001246566749 988028592 /nfs/dbraw/zinc/02/85/92/988028592.db2.gz IMMKSQYGPWZRGX-AVGNSLFASA-N 2 0 225.380 1.140 20 0 BDADRP C[N@@H+]1CCC[C@@H](N2C[C@@H]([NH3+])CC(F)(F)C2)CC1 ZINC001246569290 988039345 /nfs/dbraw/zinc/03/93/45/988039345.db2.gz DHPGCBQIAQVKKL-WDEREUQCSA-N 2 0 247.333 1.139 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@H](O)[C@@H](C)C2)CC[NH2+]1 ZINC001246571269 988065535 /nfs/dbraw/zinc/06/55/35/988065535.db2.gz ASHPNBXEESDEFI-LOWDOPEQSA-N 2 0 226.364 1.220 20 0 BDADRP NC[C@]1(F)CCCC[N@@H+](C2CCOCC2)C1 ZINC001246575828 988080069 /nfs/dbraw/zinc/08/00/69/988080069.db2.gz JCQFKIUJZDIQHG-GFCCVEGCSA-N 2 0 230.327 1.318 20 0 BDADRP COC[C@H](C)[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246577184 988087300 /nfs/dbraw/zinc/08/73/00/988087300.db2.gz NHSJEAAPDZASPZ-NWDGAFQWSA-N 2 0 214.353 1.472 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@](C)(CO)CC2)CC[NH2+]1 ZINC001246577446 988095399 /nfs/dbraw/zinc/09/53/99/988095399.db2.gz RKTVYEAFRJDHGH-MCIONIFRSA-N 2 0 240.391 1.611 20 0 BDADRP CC[C@@H]1C[C@H](N2CC[C@@H](F)[C@@H]([NH3+])CC2)CC[NH2+]1 ZINC001246578987 988105090 /nfs/dbraw/zinc/10/50/90/988105090.db2.gz CQFWDPZQIUAPOK-LPWJVIDDSA-N 2 0 243.370 1.278 20 0 BDADRP C[N@@H+]1CCC[C@@H](N2CCCC[C@](C)(C[NH3+])C2)C1 ZINC001246585656 988131092 /nfs/dbraw/zinc/13/10/92/988131092.db2.gz PNNPOVRMZBZDOJ-ZIAGYGMSSA-N 2 0 239.407 1.532 20 0 BDADRP C[C@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@]1(C)O ZINC001246587159 988149468 /nfs/dbraw/zinc/14/94/68/988149468.db2.gz FTPCOEUSFYODEE-MWWBDVBNSA-N 2 0 238.375 1.362 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CC(C)(C)C1 ZINC001246586563 988150451 /nfs/dbraw/zinc/15/04/51/988150451.db2.gz RGSBJDUSWQZTGG-YVECIDJPSA-N 2 0 240.391 1.453 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CC(C)(C)C[C@]2(C)CO)CC[NH2+]1 ZINC001246588100 988158955 /nfs/dbraw/zinc/15/89/55/988158955.db2.gz JHEFWSRSBLQCKY-YRGRVCCFSA-N 2 0 240.391 1.610 20 0 BDADRP CCCC[C@@H]1C[C@@H](N2CC(C)(C[NH3+])C2)CC[NH2+]1 ZINC001246590350 988168132 /nfs/dbraw/zinc/16/81/32/988168132.db2.gz SRNXFUIAVUWDHO-OLZOCXBDSA-N 2 0 239.407 1.578 20 0 BDADRP C1C[C@@]2(CN1[C@H]1CCCC[NH2+]C1)CCC[NH2+]C2 ZINC001246601875 988204463 /nfs/dbraw/zinc/20/44/63/988204463.db2.gz HPJUEYVZHFCJGE-KBPBESRZSA-N 2 0 237.391 1.204 20 0 BDADRP C1C[C@@]2(CN1[C@@H]1CCCC[NH2+]C1)CCC[NH2+]C2 ZINC001246601876 988206931 /nfs/dbraw/zinc/20/69/31/988206931.db2.gz HPJUEYVZHFCJGE-KGLIPLIRSA-N 2 0 237.391 1.204 20 0 BDADRP CC1(C[NH3+])C[NH+]([C@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246602151 988208054 /nfs/dbraw/zinc/20/80/54/988208054.db2.gz VXCOOMOJRQAXCH-GXTWGEPZSA-N 3 0 237.391 1.189 20 0 BDADRP C[C@@H]1CC[C@H](N2CCC[C@@]23CCC[NH2+]C3)C[NH2+]1 ZINC001246605737 988215580 /nfs/dbraw/zinc/21/55/80/988215580.db2.gz CQOVSUACKQQJGL-HZSPNIEDSA-N 2 0 237.391 1.345 20 0 BDADRP C[C@@H]1CC[C@@H](N2CCC[C@@]23CCC[NH2+]C3)C[NH2+]1 ZINC001246605741 988217652 /nfs/dbraw/zinc/21/76/52/988217652.db2.gz CQOVSUACKQQJGL-MGPQQGTHSA-N 2 0 237.391 1.345 20 0 BDADRP C[NH2+]CC[C@H](C)N1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001246609743 988238144 /nfs/dbraw/zinc/23/81/44/988238144.db2.gz JOQYHKGMFMTPEN-KBPBESRZSA-N 2 0 239.407 1.450 20 0 BDADRP C1CN([C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@]2(C1)CCC[NH2+]C2 ZINC001246612868 988240013 /nfs/dbraw/zinc/24/00/13/988240013.db2.gz XQPPPEOTPIVFTQ-LXTVHRRPSA-N 2 0 249.402 1.487 20 0 BDADRP CCCC[C@H]1C[C@@H](N2CC3(C[NH2+]C3)C2)CC[NH2+]1 ZINC001246612063 988244101 /nfs/dbraw/zinc/24/41/01/988244101.db2.gz FELLROQAKMIPBT-STQMWFEESA-N 2 0 237.391 1.202 20 0 BDADRP C[C@@H]1CC[C@@H](N2CC[C@]3(C2)CCC[NH2+]C3)C[NH2+]1 ZINC001246609850 988246924 /nfs/dbraw/zinc/24/69/24/988246924.db2.gz OGLFWPDGGJWUJA-MGPQQGTHSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@@H]1C[C@@H](N2CC[C@@]3(C2)CCCC[NH2+]3)CC[NH2+]1 ZINC001246622154 988270256 /nfs/dbraw/zinc/27/02/56/988270256.db2.gz NFCDYEOXYSLJEE-HZSPNIEDSA-N 2 0 237.391 1.345 20 0 BDADRP CCCCC[C@@H](C)[N@@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246621862 988270189 /nfs/dbraw/zinc/27/01/89/988270189.db2.gz GNJBCLGMZXGFKQ-MGPQQGTHSA-N 2 0 240.391 1.875 20 0 BDADRP CSCC[C@H](C)[NH+]1CCC(F)(C[NH3+])CC1 ZINC001246625794 988277974 /nfs/dbraw/zinc/27/79/74/988277974.db2.gz HKKWZZAOVXPWPY-JTQLQIEISA-N 2 0 234.384 1.891 20 0 BDADRP C[C@H](Cc1ccco1)[NH+]1CCC(F)(C[NH3+])CC1 ZINC001246626897 988298987 /nfs/dbraw/zinc/29/89/87/988298987.db2.gz LEDLEYRBMSMXBF-LLVKDONJSA-N 2 0 240.322 1.973 20 0 BDADRP CC1(C)C[C@H]([N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CCO1 ZINC001246630259 988308869 /nfs/dbraw/zinc/30/88/69/988308869.db2.gz HZZBRRMGGWLIFX-GRYCIOLGSA-N 2 0 224.348 1.380 20 0 BDADRP C[C@H]1CC([N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)C[C@H](C)O1 ZINC001246641669 988346833 /nfs/dbraw/zinc/34/68/33/988346833.db2.gz WXRZBILFMHUNHE-YRRQLQLVSA-N 2 0 224.348 1.379 20 0 BDADRP C1CC2(C[NH2+]1)CCN(C1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC001246644977 988356970 /nfs/dbraw/zinc/35/69/70/988356970.db2.gz ZUGBBTQJINTLKH-PBWFPOADSA-N 2 0 249.402 1.345 20 0 BDADRP CC[C@@H]1C[C@H](N2C[C@@H]3C[C@]3([NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246646704 988363438 /nfs/dbraw/zinc/36/34/38/988363438.db2.gz PONDECMRZDNBBX-QNSTZXKLSA-N 2 0 237.391 1.329 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCCC3(COC3)C2)CC[NH2+]1 ZINC001246645518 988367359 /nfs/dbraw/zinc/36/73/59/988367359.db2.gz BYHCNMRWUGTRTL-VXGBXAGGSA-N 2 0 224.348 1.239 20 0 BDADRP C[NH2+]CC[C@H](C)N1CCCCC12CC[NH2+]CC2 ZINC001246649043 988370910 /nfs/dbraw/zinc/37/09/10/988370910.db2.gz UVPCEDULIYEIMC-ZDUSSCGKSA-N 2 0 239.407 1.593 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3CCO[C@H]3C2)CC[NH2+]1 ZINC001246667839 988408748 /nfs/dbraw/zinc/40/87/48/988408748.db2.gz VXSNNRSPFFIRAA-LPWJVIDDSA-N 2 0 224.348 1.238 20 0 BDADRP CC[C@@H]1C[C@@H](N2CC[NH2+]C[C@@H]2C)C[C@H](CC)[NH2+]1 ZINC001246674424 988418905 /nfs/dbraw/zinc/41/89/05/988418905.db2.gz SXLTWCZBHZICHO-FQUUOJAGSA-N 2 0 239.407 1.589 20 0 BDADRP CC(C)(C)[C@@H]1C[C@H](N2C[C@@H]3C[C@H]2C[NH2+]3)CC[NH2+]1 ZINC001246675245 988422763 /nfs/dbraw/zinc/42/27/63/988422763.db2.gz DZBYWKQKDBOWMD-RNJOBUHISA-N 2 0 237.391 1.199 20 0 BDADRP C[N@H+](CCC[NH3+])C1CCC2(CC[NH2+]CC2)CC1 ZINC001246680880 988430394 /nfs/dbraw/zinc/43/03/94/988430394.db2.gz MPIFZLCENCMCRZ-UHFFFAOYSA-N 3 0 239.407 1.579 20 0 BDADRP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246688231 988436357 /nfs/dbraw/zinc/43/63/57/988436357.db2.gz DNRCMPARTOHLRM-RVMXOQNASA-N 2 0 225.380 1.151 20 0 BDADRP CC[C@H](C(=O)N[C@H](C)C[NH2+]CC(C)C)[NH+](C)C ZINC001497964363 988436361 /nfs/dbraw/zinc/43/63/61/988436361.db2.gz OFZGWKCVZFAQEX-VXGBXAGGSA-N 2 0 243.395 1.077 20 0 BDADRP CC[C@H]1C[C@H](N2CC[NH2+]C[C@H]2C(C)C)CC[NH2+]1 ZINC001246695018 988443787 /nfs/dbraw/zinc/44/37/87/988443787.db2.gz KHBIBRUUQHAFCB-MJBXVCDLSA-N 2 0 239.407 1.447 20 0 BDADRP CC(C)[C@@H]1C[NH2+]CCN1[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246696891 988444188 /nfs/dbraw/zinc/44/41/88/988444188.db2.gz RAOMZORNNYESOW-CRWXNKLISA-N 2 0 239.407 1.445 20 0 BDADRP C[NH2+]Cc1ccc(N[C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC001246775556 988452236 /nfs/dbraw/zinc/45/22/36/988452236.db2.gz GMQSJSSEGOIZHK-RISCZKNCSA-N 2 0 233.359 1.958 20 0 BDADRP C[C@H]1CCCCC[N@@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246768091 988458047 /nfs/dbraw/zinc/45/80/47/988458047.db2.gz FDCJHGHNCCOYAW-QWHCGFSZSA-N 2 0 237.391 1.345 20 0 BDADRP CCN(CC[NH+](CC)CC)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246792383 988470484 /nfs/dbraw/zinc/47/04/84/988470484.db2.gz VIQGIWCGZFHAPE-UONOGXRCSA-N 2 0 241.423 1.791 20 0 BDADRP C[C@H]1C[C@H](N(C)CCC2CC[NH2+]CC2)C[NH2+]1 ZINC001246794515 988473964 /nfs/dbraw/zinc/47/39/64/988473964.db2.gz FQFNEQRZXZYNIL-AAEUAGOBSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@H]1CC[C@@H](N2CCC[C@H]2C[NH+](C)C)C[NH2+]1 ZINC001246795878 988474841 /nfs/dbraw/zinc/47/48/41/988474841.db2.gz ILLGBOBQWJYCKT-XQQFMLRXSA-N 2 0 225.380 1.153 20 0 BDADRP Fc1ccccc1[C@H]1C[NH2+]CCN1[C@H]1CC[NH2+]C1 ZINC001246793896 988475632 /nfs/dbraw/zinc/47/56/32/988475632.db2.gz CJNUJKQVSKRXGY-SMDDNHRTSA-N 2 0 249.333 1.134 20 0 BDADRP C([C@H]1CCCN1[C@H]1CCC[NH2+]C1)[NH+]1CCCC1 ZINC001246806416 988489230 /nfs/dbraw/zinc/48/92/30/988489230.db2.gz NESWZEYPPPRBCD-UONOGXRCSA-N 2 0 237.391 1.299 20 0 BDADRP CCCC[C@@H]1C[C@H](N2CC[C@@H]([NH2+]C)C2)CC[NH2+]1 ZINC001246813466 988495100 /nfs/dbraw/zinc/49/51/00/988495100.db2.gz LZOGCIHJYMJFTQ-MGPQQGTHSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H]1C[C@H]([N@H+](C)CCc2cccnc2)CC[NH2+]1 ZINC001246814451 988497699 /nfs/dbraw/zinc/49/76/99/988497699.db2.gz PFFFWGXPPJXRGH-TZMCWYRMSA-N 2 0 233.359 1.696 20 0 BDADRP C[NH2+]CC[C@H](C)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246823548 988507714 /nfs/dbraw/zinc/50/77/14/988507714.db2.gz CSINLLKUWSIQLE-DZGCQCFKSA-N 2 0 247.386 1.631 20 0 BDADRP C[C@@H]1C[C@@H](N2C[C@@H](C)[NH2+][C@@H](C)C2)C[C@H](C)[NH2+]1 ZINC001246825150 988519070 /nfs/dbraw/zinc/51/90/70/988519070.db2.gz QWIGGUPVRBECKC-FOPUMGAHSA-N 2 0 225.380 1.198 20 0 BDADRP C[C@@H]1C[C@@H](N2CC[NH2+][C@H](c3ccccc3)C2)C[NH2+]1 ZINC001246828946 988523121 /nfs/dbraw/zinc/52/31/21/988523121.db2.gz TXGSZYRBVREYNM-YUELXQCFSA-N 2 0 245.370 1.383 20 0 BDADRP CCCC[C@@H](CC)N(CC[NH3+])CC[NH3+] ZINC001246829379 988523357 /nfs/dbraw/zinc/52/33/57/988523357.db2.gz FPIRMMAOQBBHOU-LLVKDONJSA-N 2 0 201.358 1.175 20 0 BDADRP CCCCC(CCCC)N(CC[NH3+])CC[NH3+] ZINC001246835208 988532264 /nfs/dbraw/zinc/53/22/64/988532264.db2.gz WCRKZPOJHNIQFU-UHFFFAOYSA-N 2 0 229.412 1.955 20 0 BDADRP C[N@@H+]1C[C@@H]2CCCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@@H]2C1 ZINC001246834959 988532604 /nfs/dbraw/zinc/53/26/04/988532604.db2.gz RMBBFHRXIIPQMN-DFKRWLTFSA-N 2 0 249.402 1.295 20 0 BDADRP COC(=O)CC[C@H]1CC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001246834162 988533322 /nfs/dbraw/zinc/53/33/22/988533322.db2.gz MQKCBDGNMUIOHC-NSHDSACASA-N 2 0 240.347 1.014 20 0 BDADRP CCCCC[C@H](CCC)N(CC[NH3+])CC[NH3+] ZINC001246836174 988533772 /nfs/dbraw/zinc/53/37/72/988533772.db2.gz ZXOGKNYZWYUGKD-ZDUSSCGKSA-N 2 0 229.412 1.955 20 0 BDADRP C1CC12CCCC[N@@H+]2[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246845222 988553131 /nfs/dbraw/zinc/55/31/31/988553131.db2.gz LQSRAUUZCVTGTP-GFCCVEGCSA-N 2 0 235.375 1.099 20 0 BDADRP C[NH2+]CCc1c(C)nn([C@@H]2CCC[NH2+]C2)c1C ZINC001246844032 988553631 /nfs/dbraw/zinc/55/36/31/988553631.db2.gz FYGTZXJNGGKFFB-GFCCVEGCSA-N 2 0 236.363 1.186 20 0 BDADRP C[C@H]1C[C@H](N2CCC[N@@H+]3CCC[C@H]3C2)CC[NH2+]1 ZINC001246846420 988554797 /nfs/dbraw/zinc/55/47/97/988554797.db2.gz HFJODXIOFRRLJS-MJBXVCDLSA-N 2 0 237.391 1.297 20 0 BDADRP C[C@@H]1C[C@@H]([NH+]2CCC(n3ccnc3)CC2)CC[NH2+]1 ZINC001246847507 988565777 /nfs/dbraw/zinc/56/57/77/988565777.db2.gz SOLFSBKGYUZOPK-OCCSQVGLSA-N 2 0 248.374 1.661 20 0 BDADRP CC[C@@H]1CC[C@H]([N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)C1 ZINC001246853251 988567872 /nfs/dbraw/zinc/56/78/72/988567872.db2.gz LJJHBIKVPGLIPC-NDBYEHHHSA-N 2 0 208.349 1.988 20 0 BDADRP CCN([C@@H]1CC[NH2+][C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC001246853197 988568448 /nfs/dbraw/zinc/56/84/48/988568448.db2.gz HYDNWOVFLHRUFT-XQQFMLRXSA-N 2 0 225.380 1.201 20 0 BDADRP CCN([C@@H]1CCC[NH2+]C1)[C@H]1CCCC[NH2+]C1 ZINC001246853146 988569183 /nfs/dbraw/zinc/56/91/83/988569183.db2.gz HCOQQRWVKGYBMW-QWHCGFSZSA-N 2 0 225.380 1.202 20 0 BDADRP CCN([C@@H]1CCC[NH2+]C1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246853194 988570164 /nfs/dbraw/zinc/57/01/64/988570164.db2.gz HYDNWOVFLHRUFT-JHJVBQTASA-N 2 0 225.380 1.201 20 0 BDADRP CC[C@H]1C[NH2+]CCN1[C@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246856888 988576252 /nfs/dbraw/zinc/57/62/52/988576252.db2.gz HUWKXQMFWJSDGG-MELADBBJSA-N 2 0 239.407 1.447 20 0 BDADRP C1C[C@@]2(C[N@@H+]1C1CC[NH2+]CC1)CCCOC2 ZINC001246854604 988577774 /nfs/dbraw/zinc/57/77/74/988577774.db2.gz QJPWSPCFQXQZME-CYBMUJFWSA-N 2 0 224.348 1.241 20 0 BDADRP [NH3+][C@]12CC[C@H]1C[N@@H+]([C@@H]1CCCSC1)C2 ZINC001246864906 988611491 /nfs/dbraw/zinc/61/14/91/988611491.db2.gz WOIYKLRALPKYQK-AXFHLTTASA-N 2 0 212.362 1.305 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N(C1CC1)C1C[NH2+]C1 ZINC001246863769 988612346 /nfs/dbraw/zinc/61/23/46/988612346.db2.gz LYXKXLGSTKVYAH-GFCCVEGCSA-N 2 0 239.407 1.543 20 0 BDADRP C[C@H]1C[C@H]([NH+]2CCC(n3cccn3)CC2)CC[NH2+]1 ZINC001246866211 988615824 /nfs/dbraw/zinc/61/58/24/988615824.db2.gz ISFKUCPRTHXRGS-GXTWGEPZSA-N 2 0 248.374 1.661 20 0 BDADRP COC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CCC[NH2+]C1 ZINC001246872499 988634614 /nfs/dbraw/zinc/63/46/14/988634614.db2.gz APMKVLFTEYZCGU-FXJUQPSGSA-N 2 0 224.348 1.380 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N1[C@H](C)C[NH2+]C[C@H]1C ZINC001246884315 988648969 /nfs/dbraw/zinc/64/89/69/988648969.db2.gz SLEUPQRJCVBIFH-MGPQQGTHSA-N 2 0 241.423 1.789 20 0 BDADRP CCCC[C@@H]1CN([C@@H]2CC[NH2+][C@H](C)C2)CC[NH2+]1 ZINC001246889875 988659870 /nfs/dbraw/zinc/65/98/70/988659870.db2.gz GLIOGILTEIVSMV-MGPQQGTHSA-N 2 0 239.407 1.591 20 0 BDADRP CC[N@H+](CCN)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246891857 988660210 /nfs/dbraw/zinc/66/02/10/988660210.db2.gz NMVIDJITUDYESD-UHFFFAOYSA-N 2 0 239.407 1.579 20 0 BDADRP CCN(CC[NH2+]C)C1CCC2(C[NH2+]C2)CC1 ZINC001246890323 988661451 /nfs/dbraw/zinc/66/14/51/988661451.db2.gz IZBHKJBJMWFMQH-UHFFFAOYSA-N 2 0 225.380 1.060 20 0 BDADRP CCOC(=O)[C@H]1CCN([C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC001246892367 988663404 /nfs/dbraw/zinc/66/34/04/988663404.db2.gz BQSUOGBDOLUULM-GRYCIOLGSA-N 2 0 240.347 1.012 20 0 BDADRP C[NH2+][C@@H]1CCN1[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246901436 988666069 /nfs/dbraw/zinc/66/60/69/988666069.db2.gz XPBFTAJQBMHCDR-WOPDTQHZSA-N 2 0 225.380 1.404 20 0 BDADRP CCCN(C1CC[NH2+]CC1)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246897021 988669952 /nfs/dbraw/zinc/66/99/52/988669952.db2.gz IPAVYXHHANQKQK-JSGCOSHPSA-N 3 0 239.407 1.591 20 0 BDADRP CC(=O)[C@@H]1CC[N@@H+]([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246896227 988670173 /nfs/dbraw/zinc/67/01/73/988670173.db2.gz VWTYNNFRRCFKBC-YUSALJHKSA-N 2 0 210.321 1.038 20 0 BDADRP CCCC[C@@H]1C[C@@H](N2CC[C@H]2[NH2+]C)CC[NH2+]1 ZINC001246901907 988673263 /nfs/dbraw/zinc/67/32/63/988673263.db2.gz FOJLRPSBRZPSQR-AGIUHOORSA-N 2 0 225.380 1.548 20 0 BDADRP CCC[C@H]1C[N@@H+](C2CCC([NH2+]C)CC2)CCN1 ZINC001246902369 988673926 /nfs/dbraw/zinc/67/39/26/988673926.db2.gz IWOKFEQHWYPIPL-MOKVOYLWSA-N 2 0 239.407 1.591 20 0 BDADRP CCCC[C@@H]1C[C@H](N2CC[C@H]2[NH2+]C)CC[NH2+]1 ZINC001246901917 988674473 /nfs/dbraw/zinc/67/44/73/988674473.db2.gz FOJLRPSBRZPSQR-UPJWGTAASA-N 2 0 225.380 1.548 20 0 BDADRP CCCC[C@H]1CN([C@@H]2CCC[NH2+]CC2)CC[NH2+]1 ZINC001246902719 988676850 /nfs/dbraw/zinc/67/68/50/988676850.db2.gz MSBJRNONAVPIQP-UONOGXRCSA-N 2 0 239.407 1.593 20 0 BDADRP CCC1([NH3+])CN([C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)C1 ZINC001246902597 988677167 /nfs/dbraw/zinc/67/71/67/988677167.db2.gz UCPIMDDWXKVAHK-VXGBXAGGSA-N 2 0 239.407 1.576 20 0 BDADRP CN([C@H]1CCC[NH2+]CC1)[C@@]1(C)CCC[NH2+]C1 ZINC001246909432 988688200 /nfs/dbraw/zinc/68/82/00/988688200.db2.gz IQLOZHNHGGIBCD-STQMWFEESA-N 2 0 225.380 1.202 20 0 BDADRP CN([C@@H]1CCC[NH2+]CC1)[C@@]1(C)CCC[NH2+]C1 ZINC001246909429 988690619 /nfs/dbraw/zinc/69/06/19/988690619.db2.gz IQLOZHNHGGIBCD-OLZOCXBDSA-N 2 0 225.380 1.202 20 0 BDADRP CC(C)[N@H+](C)[C@H]1CCN([C@H]2CCC[NH2+]C2)C1 ZINC001246910920 988693156 /nfs/dbraw/zinc/69/31/56/988693156.db2.gz LQUBVAMKZRDWBR-STQMWFEESA-N 2 0 225.380 1.153 20 0 BDADRP C[C@H]1C[C@@H](N(C)C2(C)CC[NH2+]CC2)CC[NH2+]1 ZINC001246914030 988696461 /nfs/dbraw/zinc/69/64/61/988696461.db2.gz YDHWIIBBZNUJMB-RYUDHWBXSA-N 2 0 225.380 1.201 20 0 BDADRP C[N@H+](CCO)[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246913094 988700032 /nfs/dbraw/zinc/70/00/32/988700032.db2.gz NBROYGWWGMRDPL-GFCCVEGCSA-N 2 0 226.364 1.365 20 0 BDADRP CN([C@@H]1CC[NH2+]C(C)(C)C1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001246919445 988723516 /nfs/dbraw/zinc/72/35/16/988723516.db2.gz MSVJDFGZNFAXCH-AGIUHOORSA-N 2 0 239.407 1.719 20 0 BDADRP C1[NH2+][C@H]2CN([C@@H]3CC[NH2+]C4(CCCCC4)C3)C[C@@H]12 ZINC001246922146 988738780 /nfs/dbraw/zinc/73/87/80/988738780.db2.gz URCUDYFFOGKCBV-MCIONIFRSA-N 2 0 249.402 1.345 20 0 BDADRP CCCC[C@@H]1CN([C@@H]2CCC[NH2+]CC2)CC[NH2+]1 ZINC001246926964 988748211 /nfs/dbraw/zinc/74/82/11/988748211.db2.gz MSBJRNONAVPIQP-ZIAGYGMSSA-N 2 0 239.407 1.593 20 0 BDADRP C1C[C@H]([N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CS1 ZINC001246929177 988750905 /nfs/dbraw/zinc/75/09/05/988750905.db2.gz CGCQBNBQFKCYAG-TUAOUCFPSA-N 2 0 226.389 1.423 20 0 BDADRP C1[NH2+][C@H]2C[N@@H+](C3CCC4(CC[NH2+]CC4)CC3)C[C@@H]12 ZINC001246924875 988753099 /nfs/dbraw/zinc/75/30/99/988753099.db2.gz NGQAZGBOQDMQQZ-OCCSQVGLSA-N 3 0 249.402 1.202 20 0 BDADRP C1[NH2+]CC12CC[C@@H]([N@H+]1C[C@@H]3CC[NH2+]CC[C@@H]3C1)C2 ZINC001246930997 988764567 /nfs/dbraw/zinc/76/45/67/988764567.db2.gz LRLQAWFRHWDLCD-HZSPNIEDSA-N 3 0 249.402 1.060 20 0 BDADRP CC[C@H]1C[C@@H](N2C[C@H](C)[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC001246943626 988772363 /nfs/dbraw/zinc/77/23/63/988772363.db2.gz MXBUCWZZUNDURY-CYDGBPFRSA-N 2 0 225.380 1.199 20 0 BDADRP CCCN([C@@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]CC1 ZINC001246940700 988772739 /nfs/dbraw/zinc/77/27/39/988772739.db2.gz JWJZCFCCLYGDFL-CHWSQXEVSA-N 2 0 225.380 1.202 20 0 BDADRP C[C@H]1CN([C@@H]2CC[NH2+]C(C)(C)C2)C[C@H](C)[NH2+]1 ZINC001246942119 988774561 /nfs/dbraw/zinc/77/45/61/988774561.db2.gz DIFOHKAVMZVIKQ-SDDRHHMPSA-N 2 0 225.380 1.199 20 0 BDADRP CCCN([C@@H]1CC[NH2+]C1)[C@@H]1CC[NH2+][C@@H](CC)C1 ZINC001246942042 988775483 /nfs/dbraw/zinc/77/54/83/988775483.db2.gz OAMIIAUZWHNHQL-BFHYXJOUSA-N 2 0 239.407 1.591 20 0 BDADRP CCCN(CCC[NH+](C)C)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246945125 988778632 /nfs/dbraw/zinc/77/86/32/988778632.db2.gz ZKDBQABQNRGXNY-ZIAGYGMSSA-N 2 0 241.423 1.791 20 0 BDADRP CC(C)(C)CN([C@@H]1CC[NH2+]C1)C1CC[NH2+]CC1 ZINC001246945527 988778691 /nfs/dbraw/zinc/77/86/91/988778691.db2.gz GWQAZZMOXJNIBU-CYBMUJFWSA-N 2 0 239.407 1.448 20 0 BDADRP CC(C)CN([C@@H]1C[NH2+][C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC001246954298 988784619 /nfs/dbraw/zinc/78/46/19/988784619.db2.gz YCEOGMMRTAGVJE-MCIONIFRSA-N 2 0 239.407 1.447 20 0 BDADRP CC(C)N([C@@H]1CCC[NH2+]C1)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246955389 988789186 /nfs/dbraw/zinc/78/91/86/988789186.db2.gz QHAHMVDWHFZZRT-MCIONIFRSA-N 2 0 239.407 1.589 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2C[C@@H](C)[NH2+][C@H](C)C2)CC[NH2+]1 ZINC001246961590 988791026 /nfs/dbraw/zinc/79/10/26/988791026.db2.gz BRWMRJLLAHPAQN-SYQHCUMBSA-N 2 0 239.407 1.445 20 0 BDADRP CC(C)N([C@H]1CC[NH2+]C1)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246961327 988793144 /nfs/dbraw/zinc/79/31/44/988793144.db2.gz QDZLSQORVZXDHI-UPJWGTAASA-N 2 0 225.380 1.199 20 0 BDADRP CC[C@H]([NH3+])CN(C)C1C[C@H](CC)[NH2+][C@@H](CC)C1 ZINC001246972739 988807283 /nfs/dbraw/zinc/80/72/83/988807283.db2.gz GHAJAHYUBVLQHR-AVGNSLFASA-N 2 0 241.423 1.965 20 0 BDADRP C[NH2+]CC[C@H](C)N1CC[NH2+]C2=CCCC[C@@H]21 ZINC001246997219 988827400 /nfs/dbraw/zinc/82/74/00/988827400.db2.gz SCDJQIFPRBABIA-AAEUAGOBSA-N 2 0 223.364 1.326 20 0 BDADRP C1=C2NCC[N@@H+]([C@H]3C[C@H]4C[NH2+]C[C@H]4C3)[C@H]2CCC1 ZINC001246997170 988828579 /nfs/dbraw/zinc/82/85/79/988828579.db2.gz QYIJUYKPRCKSBD-XFMPKHEZSA-N 2 0 247.386 1.326 20 0 BDADRP c1ccc([C@@H]2C[C@H](N3CC[NH2+]C3)CC[NH2+]2)cc1 ZINC001246994386 988828983 /nfs/dbraw/zinc/82/89/83/988828983.db2.gz PRBQBNPQOYJRKC-KGLIPLIRSA-N 2 0 231.343 1.342 20 0 BDADRP CO[C@@H]1CC[N@@H+]([C@H]2CC[NH2+][C@H](C)C2)[C@H](C)C1 ZINC001246997257 988829538 /nfs/dbraw/zinc/82/95/38/988829538.db2.gz TVMHHUMKYQECOM-FVCCEPFGSA-N 2 0 226.364 1.626 20 0 BDADRP CC1(C)CO[C@H](C[NH2+]C2CCC(C[NH3+])CC2)C1 ZINC001119090528 988831504 /nfs/dbraw/zinc/83/15/04/988831504.db2.gz FGIHZPHRMHXPRF-BPCQOVAHSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)C[NH2+]1 ZINC001247000605 988832772 /nfs/dbraw/zinc/83/27/72/988832772.db2.gz FISMBYUVWVUDRV-VOAKCMCISA-N 2 0 236.359 1.428 20 0 BDADRP C[C@@H]1CC[C@@H](N2CCC3(CC[C@H]3[NH3+])CC2)C[NH2+]1 ZINC001247000701 988833658 /nfs/dbraw/zinc/83/36/58/988833658.db2.gz HGVIPDZEVIHONZ-JHJVBQTASA-N 2 0 237.391 1.330 20 0 BDADRP C[C@@H]1C[C@H](N2CCC3(CC[C@@H]3[NH3+])CC2)CC[NH2+]1 ZINC001247004834 988834618 /nfs/dbraw/zinc/83/46/18/988834618.db2.gz VPPHCTYEXXAGJQ-UPJWGTAASA-N 2 0 237.391 1.330 20 0 BDADRP C[C@@H]1C[C@@H](N2CCC[C@@](C)(C[NH3+])C2)CC[NH2+]1 ZINC001247007547 988838208 /nfs/dbraw/zinc/83/82/08/988838208.db2.gz ZWFMPYLOKAPODN-AGIUHOORSA-N 2 0 225.380 1.188 20 0 BDADRP COC1(C[NH2+]CCC[N@H+](C)C(C)C)CCC1 ZINC001119298137 988896616 /nfs/dbraw/zinc/89/66/16/988896616.db2.gz YBTHZIUWACCAKA-UHFFFAOYSA-N 2 0 228.380 1.875 20 0 BDADRP CN(C(=O)CC(C)(C)[NH3+])C1(C[NH3+])CCCCC1 ZINC001119311172 988928515 /nfs/dbraw/zinc/92/85/15/988928515.db2.gz IFSDCIHXPKKYEM-UHFFFAOYSA-N 2 0 241.379 1.234 20 0 BDADRP [NH3+]CC(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001119378824 989017834 /nfs/dbraw/zinc/01/78/34/989017834.db2.gz SNZJLQTXHRGFSB-UHFFFAOYSA-N 2 0 247.342 1.570 20 0 BDADRP Cc1nccn1CC[N@@H+]1C2CCC1(CO)CC2 ZINC000722994798 989063570 /nfs/dbraw/zinc/06/35/70/989063570.db2.gz QPLVVJJRIBJERS-UHFFFAOYSA-N 2 0 235.331 1.181 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+]C[C@H]1CCOc2ccccc21 ZINC001325319555 989155680 /nfs/dbraw/zinc/15/56/80/989155680.db2.gz LNIXFOOGYOTYBD-CHWSQXEVSA-N 2 0 248.370 1.998 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+]C1CCC(OC)CC1 ZINC001325718837 989239500 /nfs/dbraw/zinc/23/95/00/989239500.db2.gz UGTJWOQXWICQLH-VOMCLLRMSA-N 2 0 214.353 1.532 20 0 BDADRP C[NH2+][C@@H](C)CC[NH2+]Cc1cccc(OC)c1 ZINC001326075189 989363062 /nfs/dbraw/zinc/36/30/62/989363062.db2.gz ILBQEQTVDRPBQX-NSHDSACASA-N 2 0 222.332 1.783 20 0 BDADRP COC[C@@H](C)C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326202520 989418642 /nfs/dbraw/zinc/41/86/42/989418642.db2.gz RDDYKDGBRFIARC-ZDUSSCGKSA-N 2 0 240.391 1.735 20 0 BDADRP N[C@H](c1noc([C@H]2CC[NH2+]2)n1)c1ccccc1 ZINC001326207511 989425504 /nfs/dbraw/zinc/42/55/04/989425504.db2.gz HJMQQPFQOKRZMA-ZJUUUORDSA-N 2 0 230.271 1.152 20 0 BDADRP COCC[C@@H](C)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326584775 989617612 /nfs/dbraw/zinc/61/76/12/989617612.db2.gz ZGWQVJNCBWGWDH-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP C[NH+](C)CC(C)(C)C[NH2+]C[C@@](C)(O)C(F)F ZINC001120472071 989661215 /nfs/dbraw/zinc/66/12/15/989661215.db2.gz BLOLVJSBTSBONE-LLVKDONJSA-N 2 0 238.322 1.180 20 0 BDADRP C[NH2+][C@@H](C)CCNC(=O)[C@@](C)(C[NH3+])CC(C)C ZINC001120547523 989710109 /nfs/dbraw/zinc/71/01/09/989710109.db2.gz YFHAYLYWVNAAKQ-WCQYABFASA-N 2 0 243.395 1.112 20 0 BDADRP CC(C)C[N@@H+]1CCO[C@@H](CNc2cc[nH+]cc2)C1 ZINC001120779210 989876427 /nfs/dbraw/zinc/87/64/27/989876427.db2.gz BMEBCXFYJXLRLT-AWEZNQCLSA-N 2 0 249.358 1.272 20 0 BDADRP C[NH2+]CCN(C(=O)CCCCCC[NH3+])C(C)C ZINC001522774480 989876960 /nfs/dbraw/zinc/87/69/60/989876960.db2.gz RGSCUUNEBCPBCW-UHFFFAOYSA-N 2 0 243.395 1.352 20 0 BDADRP CC(C)(C)[C@H]([NH3+])CC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001121931942 990142222 /nfs/dbraw/zinc/14/22/22/990142222.db2.gz FHXWRZKCRYHZBN-OUAUKWLOSA-N 2 0 241.379 1.136 20 0 BDADRP CC(C)(C)[C@H]([NH3+])CC(=O)NC(C)(C)CCC[NH3+] ZINC001122021822 990190532 /nfs/dbraw/zinc/19/05/32/990190532.db2.gz OJCZYZSJCVFUFC-SNVBAGLBSA-N 2 0 243.395 1.384 20 0 BDADRP C[NH2+]C1CC(C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC001122023596 990190609 /nfs/dbraw/zinc/19/06/09/990190609.db2.gz NYQMYKLMBOHKRP-UHFFFAOYSA-N 2 0 245.326 1.226 20 0 BDADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC001122073247 990222749 /nfs/dbraw/zinc/22/27/49/990222749.db2.gz DWHUFAHTVSWYPE-WHOHXGKFSA-N 2 0 241.379 1.007 20 0 BDADRP C[N@@H+]1CC[C@@H](CC(=O)Nc2ccccc2C[NH3+])C1 ZINC001122346051 990350148 /nfs/dbraw/zinc/35/01/48/990350148.db2.gz FSUYXBRELOQSQM-NSHDSACASA-N 2 0 247.342 1.426 20 0 BDADRP CC(C)([NH3+])c1ccc(NC(=O)[C@H]2CC[NH2+]2)cc1 ZINC001122407499 990377808 /nfs/dbraw/zinc/37/78/08/990377808.db2.gz KPZWFHOZWORAOH-LLVKDONJSA-N 2 0 233.315 1.181 20 0 BDADRP [NH3+]Cc1ccccc1NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC001122433359 990385709 /nfs/dbraw/zinc/38/57/09/990385709.db2.gz MDAJVBIEOCHMDL-PWSUYJOCSA-N 2 0 247.342 1.601 20 0 BDADRP CCOC(=O)CCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC001258115850 991021207 /nfs/dbraw/zinc/02/12/07/991021207.db2.gz PERBZMVDLQLMHA-SDDRHHMPSA-N 2 0 242.363 1.578 20 0 BDADRP C[C@]1(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CCCCO1 ZINC001308611988 991058388 /nfs/dbraw/zinc/05/83/88/991058388.db2.gz UEOSHFNQVXJUOV-JHJVBQTASA-N 2 0 224.348 1.097 20 0 BDADRP COC(=O)[C@@H](C[NH3+])C[NH2+][C@@H]1CCCC(C)(C)C1 ZINC001258276344 991206380 /nfs/dbraw/zinc/20/63/80/991206380.db2.gz GZJXGBNFRXFILW-WDEREUQCSA-N 2 0 242.363 1.293 20 0 BDADRP CCO[C@H]1CC[N@H+](CC2CC[NH+](CC)CC2)C1 ZINC001308961085 991236256 /nfs/dbraw/zinc/23/62/56/991236256.db2.gz OKUFWJLTSAOTIE-AWEZNQCLSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@H]1C[C@@H](O)C[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC001559913330 991326709 /nfs/dbraw/zinc/32/67/09/991326709.db2.gz NHSRSXIPWPCBBL-YNEHKIRRSA-N 2 0 226.364 1.173 20 0 BDADRP CC[C@@H](C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1)OC ZINC001560055574 991372346 /nfs/dbraw/zinc/37/23/46/991372346.db2.gz FTVLPHDIQFHAAJ-AGIUHOORSA-N 2 0 226.364 1.295 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+](Cc1ccnc(F)c1)CC2 ZINC001139835746 991396235 /nfs/dbraw/zinc/39/62/35/991396235.db2.gz KDPCOHUJRQYBLQ-UHFFFAOYSA-N 2 0 249.333 1.748 20 0 BDADRP C[C@H](CC1CC1)N(CCC[NH3+])CCC[NH+](C)C ZINC001258451192 991401065 /nfs/dbraw/zinc/40/10/65/991401065.db2.gz IVMDDXMCYQMCMY-CYBMUJFWSA-N 2 0 241.423 1.778 20 0 BDADRP COCCCCC[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001560186667 991402125 /nfs/dbraw/zinc/40/21/25/991402125.db2.gz KLGYBZXOFUJXGY-KGLIPLIRSA-N 2 0 240.391 1.687 20 0 BDADRP CCOC(=O)CC[C@H](C)[N@H+](C)CCC[NH+](C)C ZINC001258487263 991456132 /nfs/dbraw/zinc/45/61/32/991456132.db2.gz PURUYNWVAUJIOK-LBPRGKRZSA-N 2 0 244.379 1.602 20 0 BDADRP C[C@H](Cc1cccnc1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC001258612775 991535779 /nfs/dbraw/zinc/53/57/79/991535779.db2.gz FYMRKYYJFLMOEI-HIFRSBDPSA-N 2 0 247.386 1.944 20 0 BDADRP C[C@@H](Cc1cccnc1)NC(=[NH2+])SCC[NH3+] ZINC001258612407 991538270 /nfs/dbraw/zinc/53/82/70/991538270.db2.gz WEWRWHWVECNTBO-VIFPVBQESA-N 2 0 238.360 1.229 20 0 BDADRP CO[C@@H](C)C[NH2+]CCCCC[NH+]1CCCC1 ZINC001560855501 991626650 /nfs/dbraw/zinc/62/66/50/991626650.db2.gz AUFDIQDZMWLZEN-ZDUSSCGKSA-N 2 0 228.380 1.877 20 0 BDADRP CN1CCC[C@H]([NH2+]CCCC[N@H+](C)C2CC2)C1 ZINC001560874259 991633341 /nfs/dbraw/zinc/63/33/41/991633341.db2.gz RSMUGRSGTKOKMW-ZDUSSCGKSA-N 2 0 239.407 1.545 20 0 BDADRP C([NH2+][C@@H]1CCCOC1)[C@H]1C[NH+]2CCC1CC2 ZINC001561034661 991695611 /nfs/dbraw/zinc/69/56/11/991695611.db2.gz YRMPBHPNMAGMSF-QWHCGFSZSA-N 2 0 224.348 1.097 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@]2(C)CCOC2)CC1 ZINC001258770865 991731362 /nfs/dbraw/zinc/73/13/62/991731362.db2.gz SQNYOTYLKBXBLX-CYBMUJFWSA-N 2 0 226.364 1.629 20 0 BDADRP CCC[NH+]1CCC(n2nccc2C[NH3+])CC1 ZINC001258767706 991732697 /nfs/dbraw/zinc/73/26/97/991732697.db2.gz JCIGLJLYEGNLOB-UHFFFAOYSA-N 2 0 222.336 1.389 20 0 BDADRP CCC[NH+]1CCC(N2CC[N@@H+]3CC[C@H]3C2)CC1 ZINC001258777913 991745063 /nfs/dbraw/zinc/74/50/63/991745063.db2.gz NDOPVRPNLHLKLJ-AWEZNQCLSA-N 2 0 237.391 1.251 20 0 BDADRP CC(C)C1CCC([NH2+]C[C@@H](O)C[NH3+])CC1 ZINC001258797814 991794109 /nfs/dbraw/zinc/79/41/09/991794109.db2.gz KOYOCLNFOLOODY-MCIGGMRASA-N 2 0 214.353 1.110 20 0 BDADRP C[C@@H]1CCC[C@@H]([NH2+]CCC[N@H+](C)CCO)C1 ZINC001258817079 991832613 /nfs/dbraw/zinc/83/26/13/991832613.db2.gz MTSCGWYNYHAKLG-CHWSQXEVSA-N 2 0 228.380 1.469 20 0 BDADRP CC[C@H](Cc1ccccc1)[NH2+]CCN(C)CC[NH3+] ZINC001258839752 991871225 /nfs/dbraw/zinc/87/12/25/991871225.db2.gz JGUPWIOCFKFEGS-OAHLLOKOSA-N 2 0 249.402 1.488 20 0 BDADRP CC[C@@H](Cc1ccccc1)[NH2+]CCOCC[NH3+] ZINC001258838698 991872605 /nfs/dbraw/zinc/87/26/05/991872605.db2.gz GQDIUYRECFMUHQ-AWEZNQCLSA-N 2 0 236.359 1.573 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C1(C(N)=O)CC1 ZINC001258897262 991890706 /nfs/dbraw/zinc/89/07/06/991890706.db2.gz GTVMOXLCROVRGX-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+]CC(=O)CCO ZINC001258900855 991894537 /nfs/dbraw/zinc/89/45/37/991894537.db2.gz DLAUAQNKXVCEOE-LBPRGKRZSA-N 2 0 244.379 1.038 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1CC(CO)C1 ZINC001258899154 991894735 /nfs/dbraw/zinc/89/47/35/991894735.db2.gz GPVYJYCLFFTODV-IYXRBSQSSA-N 2 0 242.407 1.857 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+]CC(C)=O ZINC001258899193 991896006 /nfs/dbraw/zinc/89/60/06/991896006.db2.gz HONMIFPCQKUIPB-NSHDSACASA-N 2 0 214.353 1.676 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@](C)(O)C1 ZINC001258910383 991900764 /nfs/dbraw/zinc/90/07/64/991900764.db2.gz QTHWLJBEOSPPCK-KGLIPLIRSA-N 2 0 242.407 1.954 20 0 BDADRP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1cccc(CO)c1 ZINC001261424607 992295540 /nfs/dbraw/zinc/29/55/40/992295540.db2.gz ZDPBVFMBPHHLSM-RYUDHWBXSA-N 2 0 236.359 1.828 20 0 BDADRP CC[C@@]1(c2nc([C@H]3CCC[NH2+]3)no2)CC[NH2+]C1 ZINC001261481114 992335172 /nfs/dbraw/zinc/33/51/72/992335172.db2.gz MLMWBUPMIVFKNZ-BXKDBHETSA-N 2 0 236.319 1.135 20 0 BDADRP CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001570653706 992495363 /nfs/dbraw/zinc/49/53/63/992495363.db2.gz VBNRUERVIHZCNL-VXGBXAGGSA-N 2 0 243.395 1.219 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12)[C@H]1CC1(F)F ZINC001474757337 992529360 /nfs/dbraw/zinc/52/93/60/992529360.db2.gz UVXAZTYAPGTOLK-VSSNEEPJSA-N 2 0 244.329 1.960 20 0 BDADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)[C@@H](C)O)CC1 ZINC001261891289 992566473 /nfs/dbraw/zinc/56/64/73/992566473.db2.gz DGSCSHPXIVFCMN-CHWSQXEVSA-N 2 0 242.407 1.856 20 0 BDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC(C)(C)[NH3+] ZINC001262043339 992629257 /nfs/dbraw/zinc/62/92/57/992629257.db2.gz PCCWTQCUCTWRHL-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP COC1CC(C[NH+]2CCC([C@H]3C[C@H]3[NH3+])CC2)C1 ZINC001573954295 992776496 /nfs/dbraw/zinc/77/64/96/992776496.db2.gz MVBDKYQCPCMZLS-CCAROEGRSA-N 2 0 238.375 1.471 20 0 BDADRP C[NH+](C)[C@@H]1CCCC[C@@H]1Nc1cc[nH+]c(CO)c1 ZINC001262354095 992856282 /nfs/dbraw/zinc/85/62/82/992856282.db2.gz YJQUSVTVLPYRQQ-UONOGXRCSA-N 2 0 249.358 1.859 20 0 BDADRP C1C[C@H]2C[C@H](N[C@H]3C[C@H]4CC[C@@H]3[NH2+]4)CC[N@@H+]2C1 ZINC001574794681 992909411 /nfs/dbraw/zinc/90/94/11/992909411.db2.gz HRZQXTNTZMTROF-DGTMBMJNSA-N 2 0 235.375 1.096 20 0 BDADRP C([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2)[C@@H]1CC[NH2+]1 ZINC001574796584 992910452 /nfs/dbraw/zinc/91/04/52/992910452.db2.gz YHOXXUPXIDMDAK-CYDGBPFRSA-N 2 0 236.359 1.286 20 0 BDADRP C1C[C@H]([NH2+][C@@H]2CC[C@H]3[NH2+]CCC[C@H]3C2)CO1 ZINC001574799000 992910627 /nfs/dbraw/zinc/91/06/27/992910627.db2.gz BVXKMCGCIZTWOP-QNWHQSFQSA-N 2 0 224.348 1.286 20 0 BDADRP C([NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)[C@@H]1CCC[NH2+]1 ZINC001574798980 992911483 /nfs/dbraw/zinc/91/14/83/992911483.db2.gz BJVKLZKIIYRXLU-SNIKSBKOSA-N 2 0 236.359 1.142 20 0 BDADRP C(N[C@H]1CCC[NH2+]CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001574801495 992915916 /nfs/dbraw/zinc/91/59/16/992915916.db2.gz QMYANWCGVQZENL-KBPBESRZSA-N 2 0 237.391 1.060 20 0 BDADRP C([NH2+]C1([C@@H]2CCCO2)CCC1)[C@@H]1CC[NH2+]C1 ZINC001574816505 992918091 /nfs/dbraw/zinc/91/80/91/992918091.db2.gz GXFJTAZUCPXTBL-NEPJUHHUSA-N 2 0 224.348 1.287 20 0 BDADRP C([C@H]1CCSC1)[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001574817104 992922521 /nfs/dbraw/zinc/92/25/21/992922521.db2.gz RBEIZCVXEMCOCY-UTUOFQBUSA-N 2 0 226.389 1.281 20 0 BDADRP CC(=O)C[NH+]1CCC2(CCC[C@@H]2C[NH3+])CC1 ZINC001574979887 992958854 /nfs/dbraw/zinc/95/88/54/992958854.db2.gz HHEZDMZGWPBSKW-GFCCVEGCSA-N 2 0 224.348 1.416 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])C[NH2+]C[C@H]1COCO1 ZINC001575130090 992992347 /nfs/dbraw/zinc/99/23/47/992992347.db2.gz FIBKUAMLQZKHDZ-QWRGUYRKSA-N 2 0 230.352 1.103 20 0 BDADRP CC(C)(C)[NH2+]CCC(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC001575141118 992996656 /nfs/dbraw/zinc/99/66/56/992996656.db2.gz LVDBWWKNVZMRTB-NXEZZACHSA-N 2 0 241.379 1.007 20 0 BDADRP CC(C)(C)N1CC[C@@H]([NH2+]C2CC3(C[C@H]3[NH3+])C2)C1 ZINC001575138866 992998112 /nfs/dbraw/zinc/99/81/12/992998112.db2.gz GXOUNWYUHGCTAS-KTEZZQQRSA-N 2 0 237.391 1.329 20 0 BDADRP CC(C)(C[NH3+])C[NH2+]C[C@H]1CCCN1CC(F)F ZINC001575315287 993003409 /nfs/dbraw/zinc/00/34/09/993003409.db2.gz NEGTYCBFFJFOHA-SNVBAGLBSA-N 2 0 249.349 1.290 20 0 BDADRP C1=CC[NH+]([C@H]2CCN(c3cc[nH+]cc3)C2)C1 ZINC001262671437 993013042 /nfs/dbraw/zinc/01/30/42/993013042.db2.gz DQDWJRYWNYCGCQ-ZDUSSCGKSA-N 2 0 215.300 1.532 20 0 BDADRP CC(C)(C[NH2+]C[C@]1(O)CC[NH2+]C1)c1ccccc1 ZINC001575334494 993014984 /nfs/dbraw/zinc/01/49/84/993014984.db2.gz LIPJDHHMNJEBEA-HNNXBMFYSA-N 2 0 248.370 1.278 20 0 BDADRP CC(C)([NH3+])C[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC001575357481 993021055 /nfs/dbraw/zinc/02/10/55/993021055.db2.gz AHCULRFPYPASRT-RYUDHWBXSA-N 2 0 226.364 1.376 20 0 BDADRP CC(C)([NH3+])C[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC001575357916 993024376 /nfs/dbraw/zinc/02/43/76/993024376.db2.gz HZQZDXTWUBLSLC-KKJSVHSVSA-N 2 0 224.348 1.127 20 0 BDADRP CC(C)(O)C[N@H+](C[C@H]1CCCC[NH2+]C1)C1CC1 ZINC001575380620 993033467 /nfs/dbraw/zinc/03/34/67/993033467.db2.gz XTSMRTQYUAZTDA-LBPRGKRZSA-N 2 0 240.391 1.611 20 0 BDADRP CC(C)[C@@H](C[NH3+])C[NH2+]Cc1cnn(CCF)c1 ZINC001575422235 993039865 /nfs/dbraw/zinc/03/98/65/993039865.db2.gz GEGDFHULRRUMFK-LBPRGKRZSA-N 2 0 242.342 1.173 20 0 BDADRP CC(C)[C@@H](C[NH3+])CNC[C@@H]1C[NH+]2CCC1CC2 ZINC001575421755 993041680 /nfs/dbraw/zinc/04/16/80/993041680.db2.gz CNXISJXQUOFPAE-UONOGXRCSA-N 2 0 239.407 1.149 20 0 BDADRP CC(C)[C@H](C[NH3+])C[NH2+]CC[C@H](O)C1CCCC1 ZINC001575423062 993042435 /nfs/dbraw/zinc/04/24/35/993042435.db2.gz OPJSWQYAZQYPHR-KGLIPLIRSA-N 2 0 242.407 1.748 20 0 BDADRP CC(C)[C@H](O)CC[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC001575472976 993049298 /nfs/dbraw/zinc/04/92/98/993049298.db2.gz ROGJPFGAHPOYFH-UPJWGTAASA-N 2 0 226.364 1.207 20 0 BDADRP CC(C)[C@H](O)CC[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC001575471551 993049745 /nfs/dbraw/zinc/04/97/45/993049745.db2.gz JOAMPCXKCQHWSP-GRYCIOLGSA-N 2 0 214.353 1.110 20 0 BDADRP CC(C)[C@H]1C[C@H]([NH2+][C@H]2C[C@H]([NH3+])C2)CCO1 ZINC001575497663 993060109 /nfs/dbraw/zinc/06/01/09/993060109.db2.gz GCGPTAKFVQPYGX-DDHJBXDOSA-N 2 0 212.337 1.269 20 0 BDADRP CC(C)C[C@@](C)(C[NH3+])C(=O)N[C@@H](C)C[NH+](C)C ZINC001575531689 993064959 /nfs/dbraw/zinc/06/49/59/993064959.db2.gz UEZNKBSTKRLSOB-AAEUAGOBSA-N 2 0 243.395 1.064 20 0 BDADRP CC(C)CC[C@@H](CO)[NH2+]CC(C)(C)C[NH3+] ZINC001575555077 993067825 /nfs/dbraw/zinc/06/78/25/993067825.db2.gz PGKCALLNZXTYIM-NSHDSACASA-N 2 0 216.369 1.358 20 0 BDADRP CC(C)CC[C@H](CO)[NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC001575555333 993073556 /nfs/dbraw/zinc/07/35/56/993073556.db2.gz RMQHAEBXYDNTPP-MELADBBJSA-N 2 0 242.407 1.904 20 0 BDADRP CC(C)[C@H]([NH2+]C[C@H]1CCC[NH2+]1)C(C)(C)O ZINC001575841998 993112745 /nfs/dbraw/zinc/11/27/45/993112745.db2.gz BAVUUFXSKKIEDX-MNOVXSKESA-N 2 0 214.353 1.124 20 0 BDADRP CC(C)C[C@@](C)(C[NH3+])C(=O)N[C@H](C)CCC[NH3+] ZINC001263108923 993118485 /nfs/dbraw/zinc/11/84/85/993118485.db2.gz KAVZMNXSMUMIRD-YPMHNXCESA-N 2 0 243.395 1.241 20 0 BDADRP C[C@@H](C[C@@H]1CCOC1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001575940902 993133008 /nfs/dbraw/zinc/13/30/08/993133008.db2.gz DONCFPUMJUUTNP-IEECTRCBSA-N 2 0 224.348 1.284 20 0 BDADRP C[C@H](C[C@H]1CCOC1)[NH2+]CC1CC[NH2+]CC1 ZINC001575941174 993134501 /nfs/dbraw/zinc/13/45/01/993134501.db2.gz LFXXYSFNHZNBOT-DGCLKSJQSA-N 2 0 226.364 1.391 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]Cc1ncccc1F ZINC001575951391 993136063 /nfs/dbraw/zinc/13/60/63/993136063.db2.gz APYGCVKWUOHTLH-SECBINFHSA-N 2 0 211.284 1.438 20 0 BDADRP C[C@H](CC[NH3+])[NH2+]Cc1cc(F)ccc1N(C)C ZINC001575962060 993141487 /nfs/dbraw/zinc/14/14/87/993141487.db2.gz KGOQMZVUHRCOJT-SNVBAGLBSA-N 2 0 239.338 1.719 20 0 BDADRP C[C@@H](CCn1cccn1)[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC001575971951 993146673 /nfs/dbraw/zinc/14/66/73/993146673.db2.gz IRYQAFNQCVUIBV-RWMBFGLXSA-N 2 0 236.363 1.379 20 0 BDADRP C[C@H](Cc1ccno1)[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC001576065640 993167799 /nfs/dbraw/zinc/16/77/99/993167799.db2.gz GOIJYXAHXOXRKR-MIMYLULJSA-N 2 0 223.320 1.321 20 0 BDADRP C[C@H]([NH3+])C[N@H+](C)CCCCCn1cccn1 ZINC001576150265 993191695 /nfs/dbraw/zinc/19/16/95/993191695.db2.gz WTCOQQUAFPWRJE-LBPRGKRZSA-N 2 0 224.352 1.332 20 0 BDADRP C[C@H]([NH2+][C@H]1COC2(C[NH2+]C2)C1)[C@@H]1C[C@H]1C1CC1 ZINC001576238800 993226762 /nfs/dbraw/zinc/22/67/62/993226762.db2.gz JALIXFHRKDWICI-RYDUCSDGSA-N 2 0 236.359 1.142 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]CC1)[C@H]1CCCCO1 ZINC001576243449 993230685 /nfs/dbraw/zinc/23/06/85/993230685.db2.gz CJWVAZZCGHQFFF-BFHYXJOUSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H](c1ccccc1)[C@@H](O)C[N@H+](C)C1CC([NH3+])C1 ZINC001576312475 993257328 /nfs/dbraw/zinc/25/73/28/993257328.db2.gz YOYQGCOCBFJMOM-LLGZUXRYSA-N 2 0 248.370 1.573 20 0 BDADRP CC1(C)[C@H]([NH2+]CC[C@@H]2CCCC[C@@H]2O)C[C@@H]1[NH3+] ZINC001576379982 993287192 /nfs/dbraw/zinc/28/71/92/993287192.db2.gz FASXYSHKZGBKQC-ZDEQEGDKSA-N 2 0 240.391 1.643 20 0 BDADRP CC1(C)C[C@H]([NH2+]C2CC3(CC([NH3+])C3)C2)CO1 ZINC001576394558 993294122 /nfs/dbraw/zinc/29/41/22/993294122.db2.gz QRPLEEZGMQPOEV-FOBZMYGMSA-N 2 0 224.348 1.413 20 0 BDADRP CC1(C)CCC([NH2+]C[C@]2(O)CC[NH2+]C2)CC1 ZINC001576421163 993301996 /nfs/dbraw/zinc/30/19/96/993301996.db2.gz HYBOOYHMRWQXSY-ZDUSSCGKSA-N 2 0 226.364 1.269 20 0 BDADRP C[C@]1(CCCO)CCC[N@@H+]1CCC[NH2+]C1CC1 ZINC001576500950 993321297 /nfs/dbraw/zinc/32/12/97/993321297.db2.gz ONFDWGTZUIVRSU-CQSZACIVSA-N 2 0 240.391 1.756 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC[C@H]1COC(C)(C)O1 ZINC001576494342 993322211 /nfs/dbraw/zinc/32/22/11/993322211.db2.gz ACLAZTMGFJGSMS-AXFHLTTASA-N 2 0 242.363 1.243 20 0 BDADRP C[C@@]1(CN2CCC[C@H]([NH3+])C2)CCCCO1 ZINC001576503650 993324662 /nfs/dbraw/zinc/32/46/62/993324662.db2.gz UNDLASACFVSSAU-RYUDHWBXSA-N 2 0 212.337 1.369 20 0 BDADRP C[C@]1(C[N@@H+]2CC[C@H]3[C@@H](C2)C3(F)F)CCC[NH2+]C1 ZINC001576503746 993325870 /nfs/dbraw/zinc/32/58/70/993325870.db2.gz XGDJALDFHYETRI-TUAOUCFPSA-N 2 0 244.329 1.963 20 0 BDADRP C[C@@H](O)CC[NH2+]C1CCC([NH+](C)C)CC1 ZINC000380327334 993326533 /nfs/dbraw/zinc/32/65/33/993326533.db2.gz MPPBVMKWTJORRJ-VOMCLLRMSA-N 2 0 214.353 1.220 20 0 BDADRP C[C@@H]1CC[C@@H](O)C[N@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001576597241 993360936 /nfs/dbraw/zinc/36/09/36/993360936.db2.gz DTTBVALYMGTQCL-UMSGYPCISA-N 2 0 226.364 1.220 20 0 BDADRP C[C@@H]1C[C@@H](C)C[NH+](CCN[C@@H](C[NH3+])C2CC2)C1 ZINC001576590902 993361695 /nfs/dbraw/zinc/36/16/95/993361695.db2.gz DGSFHWAORBPTMC-BZPMIXESSA-N 2 0 239.407 1.291 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCO[C@@H](C)C2)C[C@H]1C[NH3+] ZINC001576596854 993362034 /nfs/dbraw/zinc/36/20/34/993362034.db2.gz AVIRILROUCREFQ-YVECIDJPSA-N 2 0 226.364 1.328 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+]C2CC3(C[C@@H]3[NH3+])C2)[C@@H](C)O1 ZINC001576597558 993362161 /nfs/dbraw/zinc/36/21/61/993362161.db2.gz GINHSBSWHVKFMU-FFYFTCIQSA-N 2 0 224.348 1.269 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+]C[C@H]2CCCCN2C)CC[NH2+]1 ZINC001576599909 993362703 /nfs/dbraw/zinc/36/27/03/993362703.db2.gz YKNZVWNWYPDFBP-MGPQQGTHSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+]C[C@]2(C)CCCCO2)CC[NH2+]1 ZINC001576599387 993363444 /nfs/dbraw/zinc/36/34/44/993363444.db2.gz UMEQLHYSSFRECF-RDBSUJKOSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C2CC3(CC([NH3+])C3)C2)CCN1C ZINC001576623969 993372540 /nfs/dbraw/zinc/37/25/40/993372540.db2.gz NJUHNTBQPKXTSA-TWKJHMIASA-N 2 0 237.391 1.329 20 0 BDADRP CC[C@H](C)[C@@H](CO)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC000381367981 993388441 /nfs/dbraw/zinc/38/84/41/993388441.db2.gz HKRALZFNNIUCPQ-RWMBFGLXSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@@H]1CCC[C@@H](C[NH2+]C[C@@]2(O)CC[NH2+]C2)C1 ZINC001576677928 993391922 /nfs/dbraw/zinc/39/19/22/993391922.db2.gz KBNAUZRZLGVTTI-JHJVBQTASA-N 2 0 226.364 1.127 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@]2(C)CCCCO2)CC[C@@H]1[NH3+] ZINC001576801699 993426510 /nfs/dbraw/zinc/42/65/10/993426510.db2.gz UCVJAIKDISDKTQ-FRRDWIJNSA-N 2 0 226.364 1.615 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@]2(C)CCCCO2)CC[C@H]1[NH3+] ZINC001576801700 993426895 /nfs/dbraw/zinc/42/68/95/993426895.db2.gz UCVJAIKDISDKTQ-JHJVBQTASA-N 2 0 226.364 1.615 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)CCC1=O ZINC001576807228 993430119 /nfs/dbraw/zinc/43/01/19/993430119.db2.gz OIVUIRIFILALMQ-OUAUKWLOSA-N 2 0 210.321 1.025 20 0 BDADRP CC(C)[N@@H+](C)C[C@H](C)N[C@@H]1C[NH2+]C[C@H](C)C1 ZINC001576849068 993431221 /nfs/dbraw/zinc/43/12/21/993431221.db2.gz BCXWWMUHIIJHLE-AGIUHOORSA-N 2 0 227.396 1.303 20 0 BDADRP C[C@@H]1CSC[C@H]1[NH2+]C[C@H]1CCCC[NH2+]C1 ZINC001576861228 993439930 /nfs/dbraw/zinc/43/99/30/993439930.db2.gz PINHYFZMFWMHJV-GRYCIOLGSA-N 2 0 228.405 1.717 20 0 BDADRP C[C@H]1OCC[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)[C@H]1C ZINC001576903138 993450495 /nfs/dbraw/zinc/45/04/95/993450495.db2.gz GWLLUBLTZDSTMF-WHOHXGKFSA-N 2 0 212.337 1.223 20 0 BDADRP C[C@@H]1[C@H](C)OCC[N@@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576903137 993450994 /nfs/dbraw/zinc/45/09/94/993450994.db2.gz GWLLUBLTZDSTMF-NOOOWODRSA-N 2 0 212.337 1.223 20 0 BDADRP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001576903344 993451013 /nfs/dbraw/zinc/45/10/13/993451013.db2.gz IIOQIURMAHRXEV-JNVKZBAOSA-N 2 0 224.348 1.268 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](Nc2ccc3c([nH+]2)CCC3)C1 ZINC000382455508 993462949 /nfs/dbraw/zinc/46/29/49/993462949.db2.gz IWIAQTPNMKBZKO-NEPJUHHUSA-N 2 0 231.343 1.674 20 0 BDADRP CC[C@@](C)(C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1)OC ZINC001576949919 993465441 /nfs/dbraw/zinc/46/54/41/993465441.db2.gz VYAAFNREJQYHDM-AGIUHOORSA-N 2 0 226.364 1.343 20 0 BDADRP CC[C@H](C)[C@H](C(=O)OC)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC001576966427 993466666 /nfs/dbraw/zinc/46/66/66/993466666.db2.gz IGWARFMTKWBBHM-NNYUYHANSA-N 2 0 242.363 1.243 20 0 BDADRP CC[C@H](C)[C@@](C)(O)C[NH2+]C[C@@H]([NH3+])CC(F)F ZINC001576962645 993467845 /nfs/dbraw/zinc/46/78/45/993467845.db2.gz UIRKZQRYMYPEEP-QXEWZRGKSA-N 2 0 238.322 1.356 20 0 BDADRP CC[C@H](C)[C@H](C(=O)OC)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC001576967736 993468153 /nfs/dbraw/zinc/46/81/53/993468153.db2.gz WTICSYKAABKKBH-QJPTWQEYSA-N 2 0 242.363 1.245 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC001576961355 993470741 /nfs/dbraw/zinc/47/07/41/993470741.db2.gz UAKDNDWBFJTCQJ-MXWKQRLJSA-N 2 0 200.326 1.007 20 0 BDADRP CC[C@H](C)[C@H](C[N@@H+]1CC[C@@H](CC[NH3+])C1)OC ZINC001576960945 993471281 /nfs/dbraw/zinc/47/12/81/993471281.db2.gz IUZQMTYZZHZTEW-XQQFMLRXSA-N 2 0 228.380 1.718 20 0 BDADRP CC[C@H](C[C@@H](C)O)[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001577044326 993486803 /nfs/dbraw/zinc/48/68/03/993486803.db2.gz RFPLLAPMIBURPD-HBUVQDDESA-N 2 0 212.337 1.005 20 0 BDADRP CCC(CC)(C[NH3+])C[N@H+](C)C[C@@H](C)C(=O)NC ZINC001577050815 993490735 /nfs/dbraw/zinc/49/07/35/993490735.db2.gz GISWXNQKRCZKOJ-LLVKDONJSA-N 2 0 243.395 1.065 20 0 BDADRP CCC(CC)(C[NH3+])C[NH2+]C[C@@H](CO)C(C)C ZINC001577052098 993490538 /nfs/dbraw/zinc/49/05/38/993490538.db2.gz ICWUUSWOYNEXBS-LBPRGKRZSA-N 2 0 230.396 1.606 20 0 BDADRP CCC(CC)[N@H+](C[C@@H](O)CC[NH3+])C1CC1 ZINC001577069548 993491956 /nfs/dbraw/zinc/49/19/56/993491956.db2.gz FYUQOIQCUYLCPV-LBPRGKRZSA-N 2 0 214.353 1.349 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H](C)[C@@H]1COc2ccccc2C1 ZINC001577124437 993512948 /nfs/dbraw/zinc/51/29/48/993512948.db2.gz APPQYBVDUPVGFO-UBHSHLNASA-N 2 0 248.370 1.953 20 0 BDADRP CC[C@H]([NH2+]CC(C)(C)C[NH3+])[C@@H](O)C(C)C ZINC001577176308 993534393 /nfs/dbraw/zinc/53/43/93/993534393.db2.gz YSJXYGQATFYHFL-QWRGUYRKSA-N 2 0 216.369 1.356 20 0 BDADRP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@@H](C)C[C@H]1C ZINC000384000676 993537087 /nfs/dbraw/zinc/53/70/87/993537087.db2.gz OLLAPCJVVJXYOE-MCIONIFRSA-N 2 0 242.407 1.810 20 0 BDADRP CC[C@@H]1C[C@@H](C[NH2+]CC2C[NH2+]C2)CCO1 ZINC001577240873 993553586 /nfs/dbraw/zinc/55/35/86/993553586.db2.gz NSWLJSJQPWSIQR-CMPLNLGQSA-N 2 0 212.337 1.001 20 0 BDADRP CC[C@H]1CCC[C@H]([NH2+]C[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC001577246841 993554924 /nfs/dbraw/zinc/55/49/24/993554924.db2.gz TZRCBCASHBLPEL-RFQIPJPRSA-N 2 0 240.391 1.515 20 0 BDADRP CC[C@H]1C[C@H]([NH2+]C2CC3(CC([NH3+])C3)C2)CO1 ZINC001577240205 993555571 /nfs/dbraw/zinc/55/55/71/993555571.db2.gz CUWRVBHFPMNZKH-CKFFRSNESA-N 2 0 224.348 1.413 20 0 BDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC001577510247 993676582 /nfs/dbraw/zinc/67/65/82/993676582.db2.gz HKULHHNMDDQFAJ-GRYCIOLGSA-N 2 0 243.395 1.206 20 0 BDADRP CCCN(CCC[NH+](C)C)C(=O)[C@@H](C)[C@H](C)[NH3+] ZINC001577519759 993677250 /nfs/dbraw/zinc/67/72/50/993677250.db2.gz VNEZSBDSHIYHDJ-RYUDHWBXSA-N 2 0 243.395 1.160 20 0 BDADRP CCC[N@@H+]1CC[C@H](NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC001577533250 993680221 /nfs/dbraw/zinc/68/02/21/993680221.db2.gz BQUGCWJXLSYCJP-KBPBESRZSA-N 2 0 239.407 1.450 20 0 BDADRP CCCn1cncc1C[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC001577624728 993701682 /nfs/dbraw/zinc/70/16/82/993701682.db2.gz IVXRIABZURLSRC-XYPYZODXSA-N 2 0 222.336 1.120 20 0 BDADRP CC[N@H+](C)[C@@H]1CCN(C(=O)CCCCC[NH3+])C1 ZINC001577655125 993707422 /nfs/dbraw/zinc/70/74/22/993707422.db2.gz RPBCZICRVNDXTP-GFCCVEGCSA-N 2 0 241.379 1.058 20 0 BDADRP C[C@H]1CC[C@H]([NH2+]CCSCC[NH3+])C1 ZINC000389789681 993762589 /nfs/dbraw/zinc/76/25/89/993762589.db2.gz KVHVEGHQEXHAJF-UWVGGRQHSA-N 2 0 202.367 1.457 20 0 BDADRP Cc1ncsc1CC[NH2+]C1CC[NH2+]CC1 ZINC000391187839 993809522 /nfs/dbraw/zinc/80/95/22/993809522.db2.gz MOIUPCLJGRYUJF-UHFFFAOYSA-N 2 0 225.361 1.336 20 0 BDADRP CC(C)O[C@H]1CC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000701658407 993897297 /nfs/dbraw/zinc/89/72/97/993897297.db2.gz RUMKHUJNUQGUOZ-LBPRGKRZSA-N 2 0 212.337 1.238 20 0 BDADRP [NH3+][C@H]1CCC[N@H+](CC2CCOCC2)CC1 ZINC000393211558 993916117 /nfs/dbraw/zinc/91/61/17/993916117.db2.gz MDSVEXCVNHBBFE-LBPRGKRZSA-N 2 0 212.337 1.226 20 0 BDADRP CC[NH+]1CCC([NH2+]CCCC(C)(C)CO)CC1 ZINC000393375361 993940460 /nfs/dbraw/zinc/94/04/60/993940460.db2.gz KMUHBJQTKFQBEJ-UHFFFAOYSA-N 2 0 242.407 1.859 20 0 BDADRP CC[N@H+](C)CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001265956405 993993563 /nfs/dbraw/zinc/99/35/63/993993563.db2.gz LVAVMWLLTZFFRO-GFCCVEGCSA-N 2 0 243.395 1.031 20 0 BDADRP Cc1cc(N[C@H](C)C[NH+](C)C)cc(C)[nH+]1 ZINC000393784634 994005132 /nfs/dbraw/zinc/00/51/32/994005132.db2.gz ZYDUTIJBGOTEPZ-LLVKDONJSA-N 2 0 207.321 1.482 20 0 BDADRP C[NH+]1CCC(N2CC[C@@H]([NH3+])c3ccccc32)CC1 ZINC000704891614 994051957 /nfs/dbraw/zinc/05/19/57/994051957.db2.gz RPDMDRXLMHRVEA-CQSZACIVSA-N 2 0 245.370 1.991 20 0 BDADRP CC[N@@H+]1CCC[C@@H](CN[C@H]2CC[NH2+]C2(C)C)C1 ZINC001332422560 994087075 /nfs/dbraw/zinc/08/70/75/994087075.db2.gz XIKDEMKVQWDCFV-STQMWFEESA-N 2 0 239.407 1.448 20 0 BDADRP Cc1cc(CN2CC[NH2+]CC[NH2+]CC2)cs1 ZINC001332816897 994368639 /nfs/dbraw/zinc/36/86/39/994368639.db2.gz YRGMQNHAJGDFFL-UHFFFAOYSA-N 2 0 239.388 1.051 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCCSC1 ZINC000822127072 994416057 /nfs/dbraw/zinc/41/60/57/994416057.db2.gz FFAKEAJWNZEFFH-NEPJUHHUSA-N 2 0 228.405 1.956 20 0 BDADRP CC1(C)C[N@H+](C[C@H]2CC[NH2+]C2)CCCO1 ZINC000389863042 398143249 /nfs/dbraw/zinc/14/32/49/398143249.db2.gz FMSRPPRUDUTAGS-NSHDSACASA-N 2 0 212.337 1.097 20 0 BDADRP CC[NH+](CC)CC(=O)NCc1ccc(C[NH3+])cc1 ZINC000649371448 398182019 /nfs/dbraw/zinc/18/20/19/398182019.db2.gz GRCSGHICYHZMGT-UHFFFAOYSA-N 2 0 249.358 1.103 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCCOCC1)[C@H]1CCC[NH2+]1 ZINC000423024482 398163388 /nfs/dbraw/zinc/16/33/88/398163388.db2.gz JODNVDWHUJXBJY-GRYCIOLGSA-N 2 0 212.337 1.286 20 0 BDADRP COCC1CCC([NH2+][C@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000423174717 398164676 /nfs/dbraw/zinc/16/46/76/398164676.db2.gz COGSEAOSONJHTO-BLYZHGLHSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]1C[C@@H](N[C@H]2CCC[NH2+][C@H]2C)CC[N@@H+]1C ZINC000396714366 398167054 /nfs/dbraw/zinc/16/70/54/398167054.db2.gz QPOQORHKYYHOGG-VOAKCMCISA-N 2 0 225.380 1.199 20 0 BDADRP Nc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000342083904 398188158 /nfs/dbraw/zinc/18/81/58/398188158.db2.gz LCIKNKAGNJSAML-NWANDNLSSA-N 2 0 245.370 1.828 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2=CCCOC2)CC[NH2+]1 ZINC000647796808 398201628 /nfs/dbraw/zinc/20/16/28/398201628.db2.gz OELRMJXWCFKDOE-ZYHUDNBSSA-N 2 0 210.321 1.063 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CC2=CCCOC2)CC[NH2+]1 ZINC000647796806 398201720 /nfs/dbraw/zinc/20/17/20/398201720.db2.gz OELRMJXWCFKDOE-JQWIXIFHSA-N 2 0 210.321 1.063 20 0 BDADRP Cc1cc(N2C[C@@H](C[NH3+])C[C@H]2C)cc[nH+]1 ZINC000229577324 178121621 /nfs/dbraw/zinc/12/16/21/178121621.db2.gz LVTRFQZWDAERJB-GHMZBOCLSA-N 2 0 205.305 1.564 20 0 BDADRP C[NH2+]C1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000573091650 398209468 /nfs/dbraw/zinc/20/94/68/398209468.db2.gz FYLWHNPGFXCHKH-UHFFFAOYSA-N 3 0 225.380 1.060 20 0 BDADRP c1cncc(CC[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000649408916 398208462 /nfs/dbraw/zinc/20/84/62/398208462.db2.gz IROIRNQFIWLQOZ-UHFFFAOYSA-N 2 0 245.370 1.841 20 0 BDADRP CCC[NH+]1CCC(N(C)C[C@H]2CC[NH2+]C2)CC1 ZINC000649411879 398214275 /nfs/dbraw/zinc/21/42/75/398214275.db2.gz MWHDJKTWYWUGCU-ZDUSSCGKSA-N 2 0 239.407 1.402 20 0 BDADRP Cc1ncsc1CC[NH+]1CCC(C)([NH3+])CC1 ZINC000649416071 398215937 /nfs/dbraw/zinc/21/59/37/398215937.db2.gz LHXHWPHVBDPTKX-UHFFFAOYSA-N 2 0 239.388 1.807 20 0 BDADRP Cc1cc(C)n(CC[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000386750723 398219219 /nfs/dbraw/zinc/21/92/19/398219219.db2.gz GLZVNXHCCAOQHT-QWHCGFSZSA-N 2 0 236.363 1.169 20 0 BDADRP COCCN1CCC[C@H]1C[NH2+]Cc1cc[nH]c1 ZINC000175705940 365577939 /nfs/dbraw/zinc/57/79/39/365577939.db2.gz UQNPTLIENPGDKV-ZDUSSCGKSA-N 2 0 237.347 1.215 20 0 BDADRP COCCN1CCC[C@@H]1C[NH2+]Cc1cc[nH]c1 ZINC000175705924 365578681 /nfs/dbraw/zinc/57/86/81/365578681.db2.gz UQNPTLIENPGDKV-CYBMUJFWSA-N 2 0 237.347 1.215 20 0 BDADRP C[NH2+]CCCC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000576373688 365580256 /nfs/dbraw/zinc/58/02/56/365580256.db2.gz MXBCWTABKQGBHA-UHFFFAOYSA-N 2 0 247.342 1.270 20 0 BDADRP CC[NH2+]CCCNC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000576373752 365581380 /nfs/dbraw/zinc/58/13/80/365581380.db2.gz RSBWTEQFLHQUDF-YPMHNXCESA-N 2 0 241.379 1.010 20 0 BDADRP C([C@@H]1CC[NH2+]C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000649413958 398211978 /nfs/dbraw/zinc/21/19/78/398211978.db2.gz YLXAYLHBAGNGII-KGLIPLIRSA-N 2 0 237.391 1.014 20 0 BDADRP CC[N@@H+]1CC[C@H](N(C)C[C@@H]2CC[NH2+]C2)C[C@H]1C ZINC000649413765 398212204 /nfs/dbraw/zinc/21/22/04/398212204.db2.gz CIFQNMYLGDLRMB-MCIONIFRSA-N 2 0 239.407 1.401 20 0 BDADRP c1ccc([C@H]2CCC[N@H+]2C[C@H]2CC[NH2+]C2)nc1 ZINC000649411668 398213153 /nfs/dbraw/zinc/21/31/53/398213153.db2.gz PWIZTKUDHSGLQK-GXTWGEPZSA-N 2 0 231.343 1.828 20 0 BDADRP CCC(CC)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000336673922 168352282 /nfs/dbraw/zinc/35/22/82/168352282.db2.gz GWBYVMDWDFSQPB-CHWSQXEVSA-N 2 0 210.365 1.964 20 0 BDADRP CC(C)[NH+]1CCN([C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000229542234 538939536 /nfs/dbraw/zinc/93/95/36/538939536.db2.gz LUWLMFFPWHXYGN-OLZOCXBDSA-N 2 0 225.380 1.153 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCCOC2)c2ccccc21 ZINC000252777151 136226790 /nfs/dbraw/zinc/22/67/90/136226790.db2.gz KUXJKMIIFIGTHT-GDLCADMTSA-N 2 0 232.327 1.900 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCc3cn[nH]c32)C1 ZINC000576478934 365608186 /nfs/dbraw/zinc/60/81/86/365608186.db2.gz HRRNOARGODNPGL-IJLUTSLNSA-N 2 0 234.347 1.647 20 0 BDADRP COCc1ccccc1C[NH2+]CC1CC[NH2+]CC1 ZINC000094010223 398244629 /nfs/dbraw/zinc/24/46/29/398244629.db2.gz HXCXWFGNWXRGDA-UHFFFAOYSA-N 2 0 248.370 1.922 20 0 BDADRP CC[C@H](C)[C@H](C[NH2+]C[C@@H]1CCC[N@H+](C)C1)OC ZINC000381337599 398252638 /nfs/dbraw/zinc/25/26/38/398252638.db2.gz AUEJXUFGEUESIB-IHRRRGAJSA-N 2 0 242.407 1.979 20 0 BDADRP CN(C)c1cc[nH+]cc1CNCc1cncn1C ZINC000289888501 538946172 /nfs/dbraw/zinc/94/61/72/538946172.db2.gz QDAHLYRQDOEJFS-UHFFFAOYSA-N 2 0 245.330 1.171 20 0 BDADRP CC[NH+](CC)CCCN(C)CC(C)(C)[NH3+] ZINC000381743018 398270634 /nfs/dbraw/zinc/27/06/34/398270634.db2.gz PLHQJRGCULRSTM-UHFFFAOYSA-N 2 0 215.385 1.387 20 0 BDADRP [NH3+]C1CCC([NH2+]CC2([NH3+])CCCCCC2)CC1 ZINC000334838537 398273529 /nfs/dbraw/zinc/27/35/29/398273529.db2.gz WMGHWZQBTQHZKX-UHFFFAOYSA-N 3 0 239.407 1.898 20 0 BDADRP COCC[C@@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000166568040 361852909 /nfs/dbraw/zinc/85/29/09/361852909.db2.gz SRCBFKQHQDVCIW-GFCCVEGCSA-N 2 0 216.369 1.731 20 0 BDADRP CCN(CC)CC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000037209802 538961851 /nfs/dbraw/zinc/96/18/51/538961851.db2.gz OUZKKFIYBOEPHA-ZDUSSCGKSA-N 2 0 241.423 1.648 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCCOC1)C1CC[NH+](C)CC1 ZINC000038044622 538964526 /nfs/dbraw/zinc/96/45/26/538964526.db2.gz OUVONYKKENEZOV-STQMWFEESA-N 2 0 240.391 1.733 20 0 BDADRP C[N@@H+]1CCCC[C@H](CNCc2cccnc2)C1 ZINC000623654610 398279853 /nfs/dbraw/zinc/27/98/53/398279853.db2.gz DMUXUBGUZYENGO-CQSZACIVSA-N 2 0 233.359 1.903 20 0 BDADRP Cc1ccc([C@@H]([NH3+])C(=O)NCCC[NH+](C)C)cc1 ZINC000083381524 398280634 /nfs/dbraw/zinc/28/06/34/398280634.db2.gz HMSQRKOJCVONRX-CYBMUJFWSA-N 2 0 249.358 1.063 20 0 BDADRP Fc1cccc(CCC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000348749025 136238027 /nfs/dbraw/zinc/23/80/27/136238027.db2.gz MKUWIDSEWWCMFE-OKILXGFUSA-N 2 0 248.345 1.910 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCCCO1)C1CC[NH+](C)CC1 ZINC000042814990 538979368 /nfs/dbraw/zinc/97/93/68/538979368.db2.gz PZPBIHXQCJXGHL-OCCSQVGLSA-N 2 0 240.391 1.875 20 0 BDADRP COC[C@H](C)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000045657224 538992928 /nfs/dbraw/zinc/99/29/28/538992928.db2.gz TXMKDGJGJMUNIJ-NEPJUHHUSA-N 2 0 228.380 1.589 20 0 BDADRP CC[C@H](COC)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401013535 529398974 /nfs/dbraw/zinc/39/89/74/529398974.db2.gz NMTOVDFGRBUXFP-YVECIDJPSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@@H]([NH2+]C[C@](C)(O)C1CC1)C1CC[NH+](C)CC1 ZINC000383927671 539012306 /nfs/dbraw/zinc/01/23/06/539012306.db2.gz SBCZTXBVZAGDTP-RISCZKNCSA-N 2 0 240.391 1.467 20 0 BDADRP c1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccn1 ZINC000335634106 136241921 /nfs/dbraw/zinc/24/19/21/136241921.db2.gz MFWBZADRNJSCRE-HUUCEWRRSA-N 2 0 245.370 1.903 20 0 BDADRP CCO[C@H](C[NH+]1CCC([NH+](C)C)CC1)C1CC1 ZINC000625081402 342850176 /nfs/dbraw/zinc/85/01/76/342850176.db2.gz OOZWYUQXJMAVDJ-CQSZACIVSA-N 2 0 240.391 1.828 20 0 BDADRP CC(C)[NH+]1CCC(N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000335637676 136243114 /nfs/dbraw/zinc/24/31/14/136243114.db2.gz QQWRJSMMRHHCQE-OCCSQVGLSA-N 2 0 239.407 1.447 20 0 BDADRP C[C@H](CCCCO)[NH2+]C[C@H]1CCCN1C ZINC000308839731 342873980 /nfs/dbraw/zinc/87/39/80/342873980.db2.gz JQORENVDSGTCLG-VXGBXAGGSA-N 2 0 214.353 1.221 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)CS1 ZINC000392271921 398316914 /nfs/dbraw/zinc/31/69/14/398316914.db2.gz VDOMDHGBYBTKDO-CMPLNLGQSA-N 2 0 226.389 1.732 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)Cn1cccn1)C[NH+](C)C ZINC000309730258 398321799 /nfs/dbraw/zinc/32/17/99/398321799.db2.gz FEVQDKNWEZNRMK-NEPJUHHUSA-N 2 0 224.352 1.059 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386046902 342905286 /nfs/dbraw/zinc/90/52/86/342905286.db2.gz UOBKQQRAOVDZPV-MGPQQGTHSA-N 2 0 239.407 1.591 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+]C[C@@H](C)C[NH+](C)C)CCO1 ZINC000491572113 529442145 /nfs/dbraw/zinc/44/21/45/529442145.db2.gz LDUGUTSJASVXIP-MGPQQGTHSA-N 2 0 242.407 1.979 20 0 BDADRP CC[N@@H+]1CC[C@H](NC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000247945192 398337849 /nfs/dbraw/zinc/33/78/49/398337849.db2.gz HGFZWJYZCSMVLW-JSGCOSHPSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@@H](CCc1ccccc1)[NH2+]CCC[NH3+] ZINC000037713158 342943335 /nfs/dbraw/zinc/94/33/35/342943335.db2.gz KWULJAAJHBSKHZ-LBPRGKRZSA-N 2 0 206.333 1.946 20 0 BDADRP CCOc1ccccc1[C@H](C)NCC[NH3+] ZINC000037712503 342943829 /nfs/dbraw/zinc/94/38/29/342943829.db2.gz VIDYKHZDMGSVPS-JTQLQIEISA-N 2 0 208.305 1.695 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@H]([NH3+])[C@@H]1C ZINC000084394552 398342444 /nfs/dbraw/zinc/34/24/44/398342444.db2.gz HWRPEWATRBGGOO-RYUDHWBXSA-N 2 0 213.369 1.140 20 0 BDADRP CO[C@H]1CC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000234833100 342957784 /nfs/dbraw/zinc/95/77/84/342957784.db2.gz MGXIMZNCKNZVES-HNNXBMFYSA-N 2 0 246.354 1.553 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353533244 187209591 /nfs/dbraw/zinc/20/95/91/187209591.db2.gz XVVNQXDNVQUUJE-YIYPIFLZSA-N 2 0 240.391 1.466 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000357022657 187213540 /nfs/dbraw/zinc/21/35/40/187213540.db2.gz BHXUQRATFVKYQR-CQSZACIVSA-N 2 0 234.343 1.799 20 0 BDADRP CC(C)([NH3+])CN(CCC[NH3+])Cc1ccccc1 ZINC000359455756 187216651 /nfs/dbraw/zinc/21/66/51/187216651.db2.gz DXRDAVZWUMIERK-UHFFFAOYSA-N 2 0 235.375 1.575 20 0 BDADRP C1C[C@@H]([N@@H+]2C[C@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)CO1 ZINC000371464047 187222254 /nfs/dbraw/zinc/22/22/54/187222254.db2.gz NXWCKYBZTHVKSX-MQYQWHSLSA-N 2 0 236.359 1.191 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)C1CCOCC1 ZINC000235511996 343047850 /nfs/dbraw/zinc/04/78/50/343047850.db2.gz GMEWRQMIGWQJDX-CYZMBNFOSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2C[NH3+])CO1 ZINC000402110734 349793021 /nfs/dbraw/zinc/79/30/21/349793021.db2.gz DCAZJHAMCIZGPJ-NOOOWODRSA-N 2 0 212.337 1.271 20 0 BDADRP COC[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000398144593 343071767 /nfs/dbraw/zinc/07/17/67/343071767.db2.gz XEUJNFWUOHZVNX-RTXFEEFZSA-N 2 0 226.364 1.519 20 0 BDADRP CC(C)C(C[NH2+]CCN1CC[C@H](O)C1)C(C)C ZINC000623837761 343091551 /nfs/dbraw/zinc/09/15/51/343091551.db2.gz STHZIUBSHZHSJB-ZDUSSCGKSA-N 2 0 242.407 1.571 20 0 BDADRP CC(C)C[C@H]([NH3+])c1noc(C2=CC[C@@H]([NH3+])C2)n1 ZINC000634555392 362045279 /nfs/dbraw/zinc/04/52/79/362045279.db2.gz JLVYYRCGCCSTHP-ZJUUUORDSA-N 2 0 236.319 1.620 20 0 BDADRP CC(C)[NH+]1CCC(N[C@H]2CCC[NH2+]CC2)CC1 ZINC000129849654 187232866 /nfs/dbraw/zinc/23/28/66/187232866.db2.gz AHYFMDAPDOFNMT-ZDUSSCGKSA-N 2 0 239.407 1.591 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400337853 529689381 /nfs/dbraw/zinc/68/93/81/529689381.db2.gz GNCBGPRXOGLXKM-AVGNSLFASA-N 2 0 227.396 1.447 20 0 BDADRP [NH3+]CCC[NH2+][C@@H]1CCCc2cccnc21 ZINC000085789581 488204856 /nfs/dbraw/zinc/20/48/56/488204856.db2.gz LLSWMPUWNIJUQP-LLVKDONJSA-N 2 0 205.305 1.397 20 0 BDADRP Cc1ncc(C[NH2+]CCCO)n1-c1ccccc1 ZINC000081292545 187242957 /nfs/dbraw/zinc/24/29/57/187242957.db2.gz XVGZXNJZOADSAB-UHFFFAOYSA-N 2 0 245.326 1.653 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H](COC)C(C)C)CC1 ZINC000126465712 343170174 /nfs/dbraw/zinc/17/01/74/343170174.db2.gz VKJAZVHCWFWWIR-CQSZACIVSA-N 2 0 242.407 1.979 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CCN1Cc1cccc(O)c1 ZINC000168849406 343210637 /nfs/dbraw/zinc/21/06/37/343210637.db2.gz MODTZMYBIHXRTG-ZYHUDNBSSA-N 2 0 220.316 1.704 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H]2CCO[C@@H]2C)CC1 ZINC000134052565 343186837 /nfs/dbraw/zinc/18/68/37/343186837.db2.gz GPVNBOGEFHLFAJ-YPMHNXCESA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH+]2CCC3(CC[NH2+]C3)CC2)O1 ZINC000634687884 343245242 /nfs/dbraw/zinc/24/52/42/343245242.db2.gz BUYSSSFYGCVBAK-OLZOCXBDSA-N 2 0 238.375 1.629 20 0 BDADRP CC[NH+](CC)CCNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000019802782 343257869 /nfs/dbraw/zinc/25/78/69/343257869.db2.gz BJQXKEOKXLBRFZ-CYBMUJFWSA-N 2 0 249.358 1.144 20 0 BDADRP Cn1cncc1CCC[N@@H+]1CCC[C@@]1(C)CO ZINC000569822232 323041878 /nfs/dbraw/zinc/04/18/78/323041878.db2.gz KKDVEADGYJRVIU-ZDUSSCGKSA-N 2 0 237.347 1.200 20 0 BDADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCOCC(F)F ZINC000348750180 136296969 /nfs/dbraw/zinc/29/69/69/136296969.db2.gz OEJCQMPBMJKUHL-JTQLQIEISA-N 2 0 238.322 1.573 20 0 BDADRP C[NH+](C)Cc1cccc(NC(=O)CC[NH3+])c1 ZINC000037019502 343330992 /nfs/dbraw/zinc/33/09/92/343330992.db2.gz MHAGNKJEELTRIT-UHFFFAOYSA-N 2 0 221.304 1.036 20 0 BDADRP Cc1nccn1CCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000348757023 136297555 /nfs/dbraw/zinc/29/75/55/136297555.db2.gz SLPZSTJSJRYDPJ-WCQYABFASA-N 2 0 236.363 1.251 20 0 BDADRP CC[NH+](CC)Cc1cccc(NC(=O)C[NH2+]C)c1 ZINC000037042953 343331652 /nfs/dbraw/zinc/33/16/52/343331652.db2.gz WLLDFKNFSIFJIT-UHFFFAOYSA-N 2 0 249.358 1.686 20 0 BDADRP C[C@@H]1CCNC[C@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000335636499 136300942 /nfs/dbraw/zinc/30/09/42/136300942.db2.gz MBSJGRGYVAYKSC-IKWCTNDRSA-N 2 0 225.380 1.092 20 0 BDADRP Cn1cncc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335637923 136302811 /nfs/dbraw/zinc/30/28/11/136302811.db2.gz YSSXQUBMHDQEQO-CHWSQXEVSA-N 2 0 248.374 1.242 20 0 BDADRP [NH3+][C@@H](C(=O)Nc1ccc2c(c1)C[NH2+]C2)C1CCC1 ZINC000335653337 136305654 /nfs/dbraw/zinc/30/56/54/136305654.db2.gz HXGVFJMSZIOPRB-CYBMUJFWSA-N 2 0 245.326 1.356 20 0 BDADRP O=C(C[C@H]1CC[NH2+]C1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000335653816 136306237 /nfs/dbraw/zinc/30/62/37/136306237.db2.gz LZLAXQUFCUWUIU-SNVBAGLBSA-N 2 0 245.326 1.228 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000166216358 136309508 /nfs/dbraw/zinc/30/95/08/136309508.db2.gz FSUJYXLUYMHCNL-OCCSQVGLSA-N 2 0 218.344 1.898 20 0 BDADRP CC(C)[C@@H](C(=O)NCCCC[NH+](C)C)[NH+](C)C ZINC000349140911 136324226 /nfs/dbraw/zinc/32/42/26/136324226.db2.gz BOIFQSLWJSGLOD-LBPRGKRZSA-N 2 0 243.395 1.031 20 0 BDADRP C[NH+](C)Cc1cccc(NC(=O)C(C)(C)[NH3+])c1 ZINC000040921670 343411365 /nfs/dbraw/zinc/41/13/65/343411365.db2.gz GASJBNLIQTURDT-UHFFFAOYSA-N 2 0 235.331 1.424 20 0 BDADRP C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)[C@H]1CCOC1 ZINC000166319951 136344459 /nfs/dbraw/zinc/34/44/59/136344459.db2.gz RRQMOPBGBKSHET-FZMZJTMJSA-N 2 0 246.354 1.804 20 0 BDADRP CCCN(CCC[NH+](C)C)Cc1cncn1C ZINC000349417572 136345321 /nfs/dbraw/zinc/34/53/21/136345321.db2.gz LWMHPFBORYJTCB-UHFFFAOYSA-N 2 0 238.379 1.584 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCC12CCOCC2 ZINC000367084764 136333011 /nfs/dbraw/zinc/33/30/11/136333011.db2.gz CCYIIQZODCFVRN-CHWSQXEVSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1C[C@@H]1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000349335242 136342340 /nfs/dbraw/zinc/34/23/40/136342340.db2.gz UIMYUCNJISLLNC-ZIAGYGMSSA-N 2 0 239.407 1.212 20 0 BDADRP C[C@@H]1C[N@H+](CC2CCOCC2)CC[C@@H]1[NH3+] ZINC000082544837 343447062 /nfs/dbraw/zinc/44/70/62/343447062.db2.gz RRIWELIHBCUNAK-PWSUYJOCSA-N 2 0 212.337 1.082 20 0 BDADRP CSC1CC[NH+](CCn2ccnc2)CC1 ZINC000602923141 349809195 /nfs/dbraw/zinc/80/91/95/349809195.db2.gz QAGXUQZEMFMSMP-UHFFFAOYSA-N 2 0 225.361 1.711 20 0 BDADRP [NH3+]CC1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000083525979 343488538 /nfs/dbraw/zinc/48/85/38/343488538.db2.gz GKEHLNMIYGZWJQ-LBPRGKRZSA-N 2 0 212.337 1.226 20 0 BDADRP C[N@H+](CC[C@@H]1CCCO1)C1CC[NH2+]CC1 ZINC000083528209 343488795 /nfs/dbraw/zinc/48/87/95/343488795.db2.gz NGDSWPLDJVDPEL-LBPRGKRZSA-N 2 0 212.337 1.239 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+]CCCC[NH3+])C1(C)C ZINC000082922850 343471151 /nfs/dbraw/zinc/47/11/51/343471151.db2.gz MHBHWGBPVJAHAE-QWRGUYRKSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000518770278 259366008 /nfs/dbraw/zinc/36/60/08/259366008.db2.gz OZUDMPIOVUDNLB-SWLSCSKDSA-N 3 0 247.386 1.766 20 0 BDADRP CC(C)[C@@H](CO)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000394061577 343711553 /nfs/dbraw/zinc/71/15/53/343711553.db2.gz ZHDPBSNKSNOPMB-NWDGAFQWSA-N 2 0 216.369 1.358 20 0 BDADRP CC[C@H](C[C@@H](C)CC)[NH2+]CCN1CC[C@H](O)C1 ZINC000624333002 343716381 /nfs/dbraw/zinc/71/63/81/343716381.db2.gz FWLKFINDRJFUNG-MJBXVCDLSA-N 2 0 242.407 1.857 20 0 BDADRP C1CCC([NH+]2CCN(C3CC[NH2+]CC3)CC2)C1 ZINC000019688681 343774072 /nfs/dbraw/zinc/77/40/72/343774072.db2.gz DMUQCZDFNXOKKA-UHFFFAOYSA-N 2 0 237.391 1.299 20 0 BDADRP COC[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000019904392 343774402 /nfs/dbraw/zinc/77/44/02/343774402.db2.gz RCSVQWFNWFIBJH-NSHDSACASA-N 2 0 214.353 1.484 20 0 BDADRP C[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)N(C)C ZINC000038087977 537834175 /nfs/dbraw/zinc/83/41/75/537834175.db2.gz RRLAOMMJUGFHCA-RYUDHWBXSA-N 2 0 227.396 1.256 20 0 BDADRP CN1CC[N@H+](CCC2CC[NH2+]CC2)C(C)(C)C1 ZINC000621776469 343898816 /nfs/dbraw/zinc/89/88/16/343898816.db2.gz LYTDSZSTUMKFLF-UHFFFAOYSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000577062434 365799311 /nfs/dbraw/zinc/79/93/11/365799311.db2.gz FGGIVERFWJSGNC-IUODEOHRSA-N 3 0 247.386 1.623 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH+]1C)CC1(C)COC1 ZINC000625791560 344075329 /nfs/dbraw/zinc/07/53/29/344075329.db2.gz NHRGLEWWHGYBLR-LBPRGKRZSA-N 2 0 226.364 1.439 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733778 344113956 /nfs/dbraw/zinc/11/39/56/344113956.db2.gz NOEDNZLXFLKUMX-STQMWFEESA-N 2 0 241.423 1.728 20 0 BDADRP CC(C)n1nccc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000570719702 323068494 /nfs/dbraw/zinc/06/84/94/323068494.db2.gz SGOLFPMBHIONGS-WDEREUQCSA-N 2 0 224.352 1.679 20 0 BDADRP CC[C@@H]([NH3+])C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000130570683 344149229 /nfs/dbraw/zinc/14/92/29/344149229.db2.gz XPDSGIMVIVUTEM-GFCCVEGCSA-N 2 0 249.358 1.732 20 0 BDADRP COCCCC[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000131058398 344226984 /nfs/dbraw/zinc/22/69/84/344226984.db2.gz BKFICJFTAITANF-GFCCVEGCSA-N 2 0 214.353 1.474 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](C)[C@@H](CO)C2)CC[NH2+]1 ZINC000622004396 344182096 /nfs/dbraw/zinc/18/20/96/344182096.db2.gz OBCVKMZFSRDONT-REWJHTLYSA-N 2 0 240.391 1.325 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NCC(C)(C)C[NH+](C)C ZINC000132131692 344279771 /nfs/dbraw/zinc/27/97/71/344279771.db2.gz PFZHDVRYURFJLX-OLZOCXBDSA-N 2 0 241.423 1.504 20 0 BDADRP [NH3+][C@H]1CCC[C@@H](NC2CC[NH+](C3CC3)CC2)C1 ZINC000093214223 344311811 /nfs/dbraw/zinc/31/18/11/344311811.db2.gz NYXRRGMRAVJIGN-WCQYABFASA-N 2 0 237.391 1.473 20 0 BDADRP CC(C)OCC[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000133301882 344316772 /nfs/dbraw/zinc/31/67/72/344316772.db2.gz LVCTYKMDRVHYIC-LBPRGKRZSA-N 2 0 216.369 1.717 20 0 BDADRP COC(=O)CCCCN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000600703985 344359766 /nfs/dbraw/zinc/35/97/66/344359766.db2.gz NKHHEAFCZZNDHP-NEPJUHHUSA-N 2 0 240.347 1.156 20 0 BDADRP CN1CCC[C@@H]1C[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000092629232 344299685 /nfs/dbraw/zinc/29/96/85/344299685.db2.gz KKNUVNWJHGQVAP-UONOGXRCSA-N 2 0 239.407 1.402 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H](C)OC)C1 ZINC000132428159 344302075 /nfs/dbraw/zinc/30/20/75/344302075.db2.gz ZECGGVQOYGZCFW-QJPTWQEYSA-N 2 0 214.353 1.341 20 0 BDADRP CO[C@@H](C)[C@@H](C)[NH2+]CCCC[NH+](C)C ZINC000132997002 344310256 /nfs/dbraw/zinc/31/02/56/344310256.db2.gz BIMLRWFSXRFMGL-MNOVXSKESA-N 2 0 202.342 1.341 20 0 BDADRP CSC1(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CCC1 ZINC000389359620 344496961 /nfs/dbraw/zinc/49/69/61/344496961.db2.gz CUOGNDINFISMKT-GHMZBOCLSA-N 2 0 226.389 1.423 20 0 BDADRP Cc1nc(C[NH2+]CCCC[NH+](C)C)cs1 ZINC000045598327 344573382 /nfs/dbraw/zinc/57/33/82/344573382.db2.gz DXNUDCCCGSIJGY-UHFFFAOYSA-N 2 0 227.377 1.883 20 0 BDADRP CN(C)c1nccc(NC[C@@H]2CCC[N@H+](C)C2)n1 ZINC000085431543 344532182 /nfs/dbraw/zinc/53/21/82/344532182.db2.gz JQSYVPCBQKQYEM-NSHDSACASA-N 2 0 249.362 1.296 20 0 BDADRP CC[NH+]1CCC([NH2+]CCCCOC)CC1 ZINC000044655209 344544569 /nfs/dbraw/zinc/54/45/69/344544569.db2.gz CXKRKFXKVINFRN-UHFFFAOYSA-N 2 0 214.353 1.487 20 0 BDADRP COc1ccc(CN2CCCC[C@@H]2[C@@H](C)[NH3+])cn1 ZINC000158319187 344592452 /nfs/dbraw/zinc/59/24/52/344592452.db2.gz FTUUQMTYSYCGMV-DGCLKSJQSA-N 2 0 249.358 1.792 20 0 BDADRP COc1ccc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cn1 ZINC000158323308 344597279 /nfs/dbraw/zinc/59/72/79/344597279.db2.gz LHBQRDROSBITGO-LBPRGKRZSA-N 2 0 249.358 1.651 20 0 BDADRP C[NH+](C)CCOCC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000336782947 537852904 /nfs/dbraw/zinc/85/29/04/537852904.db2.gz ZBWYRSQDVNZBIL-OLZOCXBDSA-N 2 0 226.364 1.343 20 0 BDADRP CC[C@@H]1CO[C@H](C)C[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000251919921 344682409 /nfs/dbraw/zinc/68/24/09/344682409.db2.gz YLBKTLOYNUDGFU-MGPQQGTHSA-N 2 0 240.391 1.875 20 0 BDADRP CC[NH+]1CCC(Nc2nccc(N(C)C)n2)CC1 ZINC000153054272 344738105 /nfs/dbraw/zinc/73/81/05/344738105.db2.gz UNYIFDQXQRXDHG-UHFFFAOYSA-N 2 0 249.362 1.439 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCC[C@@]1(C)CO ZINC000493535103 530056790 /nfs/dbraw/zinc/05/67/90/530056790.db2.gz YZQSQNYVZDASFK-MCIONIFRSA-N 2 0 240.391 1.611 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCC[C@@]1(C)CO ZINC000493535105 530056980 /nfs/dbraw/zinc/05/69/80/530056980.db2.gz YZQSQNYVZDASFK-RDBSUJKOSA-N 2 0 240.391 1.611 20 0 BDADRP CC[C@@H](O)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000075681717 344784283 /nfs/dbraw/zinc/78/42/83/344784283.db2.gz KJAPVVDGHRGWQN-CYBMUJFWSA-N 2 0 228.380 1.562 20 0 BDADRP COC[C@]1(C[NH2+][C@H](C)C(C)C)CCC[NH2+]1 ZINC000319005133 259381738 /nfs/dbraw/zinc/38/17/38/259381738.db2.gz NVNKPAXDIMPMAW-VXGBXAGGSA-N 2 0 214.353 1.389 20 0 BDADRP CCCN1CCC[C@H]1C[NH2+]C[C@@H](O)CC ZINC000579102450 344934376 /nfs/dbraw/zinc/93/43/76/344934376.db2.gz CDBWYSYTFMTNAO-RYUDHWBXSA-N 2 0 214.353 1.221 20 0 BDADRP COC[C@@]1(C[NH2+][C@H](C)C(C)C)CCC[NH2+]1 ZINC000319005130 259381818 /nfs/dbraw/zinc/38/18/18/259381818.db2.gz NVNKPAXDIMPMAW-NEPJUHHUSA-N 2 0 214.353 1.389 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)NCC[N@H+](C)CCCC ZINC000154550881 345041978 /nfs/dbraw/zinc/04/19/78/345041978.db2.gz OVWWYHYHPRVTKD-LBPRGKRZSA-N 2 0 243.395 1.352 20 0 BDADRP COC[C@]1(C[NH2+][C@@H](C)C(C)C)CCC[NH2+]1 ZINC000319005131 259381857 /nfs/dbraw/zinc/38/18/57/259381857.db2.gz NVNKPAXDIMPMAW-NWDGAFQWSA-N 2 0 214.353 1.389 20 0 BDADRP COC[C@@]1(C[NH2+][C@@H](C)C(C)C)CCC[NH2+]1 ZINC000319005132 259381866 /nfs/dbraw/zinc/38/18/66/259381866.db2.gz NVNKPAXDIMPMAW-RYUDHWBXSA-N 2 0 214.353 1.389 20 0 BDADRP OC1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000155799557 345104043 /nfs/dbraw/zinc/10/40/43/345104043.db2.gz YKQGSUPOBNAGAZ-QPPOZKHWSA-N 2 0 238.375 1.506 20 0 BDADRP CC(C)[C@H](C[NH3+])C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000634991051 345174252 /nfs/dbraw/zinc/17/42/52/345174252.db2.gz OAUXRWDJHLJLIW-DGCLKSJQSA-N 3 0 227.396 1.277 20 0 BDADRP C([N@@H+]1CCC[C@@H]2COCC[C@H]21)C12CC(C1)C[NH2+]2 ZINC000634994786 345182448 /nfs/dbraw/zinc/18/24/48/345182448.db2.gz MSLIWDIFYUGIRE-CEUNDQEZSA-N 2 0 236.359 1.239 20 0 BDADRP CC(C)[C@H](C[NH3+])CN[C@H](CC[NH3+])C(F)(F)F ZINC000634995330 345184517 /nfs/dbraw/zinc/18/45/17/345184517.db2.gz AVLMPAWHLJQZFO-RKDXNWHRSA-N 2 0 241.301 1.087 20 0 BDADRP Cc1cc(N)cc(C[NH2+]C[C@@H](C[NH3+])C(C)C)c1 ZINC000634995530 345184945 /nfs/dbraw/zinc/18/49/45/345184945.db2.gz HOICNQFKGPWXSC-CYBMUJFWSA-N 2 0 235.375 1.898 20 0 BDADRP C[C@H]1CCCN(CC23CC(C2)C[NH2+]3)[C@H]1CC[NH3+] ZINC000634996255 345187372 /nfs/dbraw/zinc/18/73/72/345187372.db2.gz DUTVPSJQPFIFNA-AHPWVWPOSA-N 2 0 237.391 1.188 20 0 BDADRP C[N@H+]1CC=C(CNCc2ccon2)CC1 ZINC000634975456 345150805 /nfs/dbraw/zinc/15/08/05/345150805.db2.gz YOXIOHSULXRZFF-UHFFFAOYSA-N 2 0 207.277 1.026 20 0 BDADRP CC(C)[C@@H](C[NH3+])C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000634996750 345193470 /nfs/dbraw/zinc/19/34/70/345193470.db2.gz TYRGWOOAYRXPHQ-AWEZNQCLSA-N 3 0 235.375 1.466 20 0 BDADRP Cc1ncsc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634999574 345200089 /nfs/dbraw/zinc/20/00/89/345200089.db2.gz WNLWHCNXMNZYSB-PSASIEDQSA-N 2 0 225.361 1.478 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@@H]2CCCn3nccc32)CC1 ZINC000635001940 345203523 /nfs/dbraw/zinc/20/35/23/345203523.db2.gz JNMYLHBSQQAQHQ-WXRRBKDZSA-N 2 0 248.374 1.825 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CC(C)(C)F ZINC000635003247 345205389 /nfs/dbraw/zinc/20/53/89/345205389.db2.gz HMDSCFCWWOKPCP-VIFPVBQESA-N 2 0 206.305 1.078 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCCC12CC2 ZINC000635003434 345206332 /nfs/dbraw/zinc/20/63/32/345206332.db2.gz JNTGRGLTHSJBLU-RYUDHWBXSA-N 2 0 226.364 1.663 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635003420 345206374 /nfs/dbraw/zinc/20/63/74/345206374.db2.gz DBBNJHJGGJACNY-BJDJZHNGSA-N 3 0 213.369 1.219 20 0 BDADRP C[C@H](Cc1cnccn1)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635003996 345207098 /nfs/dbraw/zinc/20/70/98/345207098.db2.gz GKDOACIXBGZFMO-JHJVBQTASA-N 2 0 248.374 1.515 20 0 BDADRP [NH3+][C@H](CCN[C@@H]1CCC[C@@H]1[NH3+])Cc1ccccc1 ZINC000635004891 345208532 /nfs/dbraw/zinc/20/85/32/345208532.db2.gz GCZXRGHJNSRFTR-QLFBSQMISA-N 2 0 247.386 1.416 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635004845 345208740 /nfs/dbraw/zinc/20/87/40/345208740.db2.gz QKBAMRNUPUHFTL-NEPJUHHUSA-N 3 0 247.386 1.548 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)[C@H]1CCCOC1 ZINC000635005380 345209070 /nfs/dbraw/zinc/20/90/70/345209070.db2.gz MRHVPRYWTLEVHJ-YIYPIFLZSA-N 2 0 240.391 1.909 20 0 BDADRP CCC[C@@H](CCO)[NH2+][C@H](C)CCCC[NH3+] ZINC000635005635 345209817 /nfs/dbraw/zinc/20/98/17/345209817.db2.gz VWPXTCMWMYBVHO-NEPJUHHUSA-N 2 0 216.369 1.645 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635005933 345209843 /nfs/dbraw/zinc/20/98/43/345209843.db2.gz QMBYYEPWNPCOIE-JHJVBQTASA-N 3 0 227.396 1.611 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000635006051 345210679 /nfs/dbraw/zinc/21/06/79/345210679.db2.gz XFTSEWXDMVMKTB-OUAUKWLOSA-N 2 0 202.342 1.253 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000635006594 345211150 /nfs/dbraw/zinc/21/11/50/345211150.db2.gz ZIMJXJHDRYRTSR-UPJWGTAASA-N 2 0 228.380 1.787 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635009654 345212218 /nfs/dbraw/zinc/21/22/18/345212218.db2.gz YTIJOHNHSBYCLX-AGIUHOORSA-N 2 0 239.407 1.352 20 0 BDADRP CC(C)[C@@H](C)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635009456 345212225 /nfs/dbraw/zinc/21/22/25/345212225.db2.gz NHBUXGSZVYCACP-GFCCVEGCSA-N 2 0 248.374 1.948 20 0 BDADRP C[C@@H]([NH2+]Cc1cccc2c1CCOC2)C1C[NH2+]C1 ZINC000635012940 345212650 /nfs/dbraw/zinc/21/26/50/345212650.db2.gz PBXXNMYLBYNRBS-LLVKDONJSA-N 2 0 246.354 1.457 20 0 BDADRP COC[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)C1CC1 ZINC000635012716 345215358 /nfs/dbraw/zinc/21/53/58/345215358.db2.gz VKCMSLOWLVBRKI-CHWSQXEVSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000635013338 345217637 /nfs/dbraw/zinc/21/76/37/345217637.db2.gz RCGXRGUPDALABF-ULAWRXDQSA-N 2 0 210.243 1.653 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)CC1CCC1 ZINC000635014259 345219246 /nfs/dbraw/zinc/21/92/46/345219246.db2.gz ZZQZNDWQFNTYCP-WCQYABFASA-N 2 0 228.380 1.909 20 0 BDADRP COCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158493617 345340395 /nfs/dbraw/zinc/34/03/95/345340395.db2.gz VVVOQGMOJMVPQU-NEPJUHHUSA-N 2 0 212.337 1.049 20 0 BDADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCCO3)CC[C@@H]21 ZINC000158913683 345388174 /nfs/dbraw/zinc/38/81/74/345388174.db2.gz UJLSIAXTIPBZTK-RDBSUJKOSA-N 2 0 238.375 1.582 20 0 BDADRP CC(C)OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000158924983 345388626 /nfs/dbraw/zinc/38/86/26/345388626.db2.gz OJPDRTFSYHQQKT-YHWZYXNKSA-N 2 0 226.364 1.626 20 0 BDADRP CCSCC[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000159237681 345417576 /nfs/dbraw/zinc/41/75/76/345417576.db2.gz BUYKMHWTIYKDDE-VHSXEESVSA-N 2 0 202.367 1.409 20 0 BDADRP CC(C)COCC[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397301875 323090330 /nfs/dbraw/zinc/09/03/30/323090330.db2.gz KRWQRTRINBFFTJ-IHRRRGAJSA-N 2 0 242.407 1.964 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]C[C@](C)(O)C2CC2)CC1 ZINC000336703226 187307666 /nfs/dbraw/zinc/30/76/66/187307666.db2.gz KIYVVHBUFMQXGX-AWEZNQCLSA-N 2 0 240.391 1.610 20 0 BDADRP Cc1cnc(C[NH2+]CCOCC[NH+](C)C)s1 ZINC000394717188 323091968 /nfs/dbraw/zinc/09/19/68/323091968.db2.gz BXJJFZOXQBXLAK-UHFFFAOYSA-N 2 0 243.376 1.119 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000309453982 187309121 /nfs/dbraw/zinc/30/91/21/187309121.db2.gz QNFHLZMKVOBNQY-STQMWFEESA-N 2 0 228.380 1.874 20 0 BDADRP Cc1ccc([C@H](CNC(=O)CC[NH3+])[NH+](C)C)cc1 ZINC000237135796 178904875 /nfs/dbraw/zinc/90/48/75/178904875.db2.gz GTGPUMNMRXZWAX-ZDUSSCGKSA-N 2 0 249.358 1.063 20 0 BDADRP [NH3+]C1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000140123907 345852500 /nfs/dbraw/zinc/85/25/00/345852500.db2.gz BYMMWCHPYAIZKC-UHFFFAOYSA-N 2 0 225.380 1.286 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC1C[NH2+]C1 ZINC000307654540 345878114 /nfs/dbraw/zinc/87/81/14/345878114.db2.gz MRZMLAYKNHIFNP-WFASDCNBSA-N 2 0 245.370 1.068 20 0 BDADRP C/C=C/C[C@@H](CO)[NH2+]Cc1cccc2nccn21 ZINC000185827926 187310509 /nfs/dbraw/zinc/31/05/09/187310509.db2.gz FKQXEMPEEDMIPL-JDGPPOGSSA-N 2 0 245.326 1.751 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC2(F)CC2)C1 ZINC000307690100 345901600 /nfs/dbraw/zinc/90/16/00/345901600.db2.gz HOCOGQZPUSZKRD-VHSXEESVSA-N 2 0 200.301 1.548 20 0 BDADRP CCC[NH2+][C@@H](C)C(=O)NCCC[NH+](CC)CC ZINC000449313625 201864606 /nfs/dbraw/zinc/86/46/06/201864606.db2.gz XAOTWFYCHROOIH-LBPRGKRZSA-N 2 0 243.395 1.223 20 0 BDADRP CC(C)[N@@H+](C)C[C@H](C)N[C@@H]1C[NH+](C)C[C@H]1C ZINC000381470811 346002416 /nfs/dbraw/zinc/00/24/16/346002416.db2.gz MNWRYBNTBXWADJ-FRRDWIJNSA-N 2 0 227.396 1.255 20 0 BDADRP CC(C)[N@@H+](C)C[C@H](C)N[C@H]1C[NH+](C)C[C@H]1C ZINC000381470809 346002548 /nfs/dbraw/zinc/00/25/48/346002548.db2.gz MNWRYBNTBXWADJ-AGIUHOORSA-N 2 0 227.396 1.255 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000332060580 187365681 /nfs/dbraw/zinc/36/56/81/187365681.db2.gz YQQRXKDDQFKMIE-IJLUTSLNSA-N 2 0 214.353 1.253 20 0 BDADRP C([NH2+]C[C@@H]1CCCOC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000111319966 187317484 /nfs/dbraw/zinc/31/74/84/187317484.db2.gz CUKDYYXYEAOMDQ-OLZOCXBDSA-N 2 0 238.375 1.487 20 0 BDADRP CCCN(C[C@@H]1CC[C@H](C)O1)[C@H]1CC[NH2+]C1 ZINC000249972220 362663663 /nfs/dbraw/zinc/66/36/63/362663663.db2.gz KYBJFCZSYRJSNH-AVGNSLFASA-N 2 0 226.364 1.628 20 0 BDADRP CSCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401144044 346312580 /nfs/dbraw/zinc/31/25/80/346312580.db2.gz NMICTUALLMBEPD-SDDRHHMPSA-N 2 0 228.405 1.717 20 0 BDADRP C[NH+](C)C1CCC([NH2+]Cc2ccncc2N)CC1 ZINC000641762164 362697269 /nfs/dbraw/zinc/69/72/69/362697269.db2.gz HFLODMWDZQZNPF-UHFFFAOYSA-N 2 0 248.374 1.626 20 0 BDADRP C([NH2+][C@@H]1CCN(C2CC2)C1)[C@H]1CCSC1 ZINC000300235345 346421956 /nfs/dbraw/zinc/42/19/56/346421956.db2.gz ZYSQSVVWHCPHKE-GHMZBOCLSA-N 2 0 226.389 1.566 20 0 BDADRP C([NH2+][C@H]1CCN(C2CC2)C1)[C@H]1CCSC1 ZINC000300235346 346422219 /nfs/dbraw/zinc/42/22/19/346422219.db2.gz ZYSQSVVWHCPHKE-MNOVXSKESA-N 2 0 226.389 1.566 20 0 BDADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCc1cncn1C ZINC000641795942 362736449 /nfs/dbraw/zinc/73/64/49/362736449.db2.gz BQIXDNZDUGGTQV-ZDUSSCGKSA-N 2 0 238.379 1.268 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CCO1 ZINC000300369222 346433090 /nfs/dbraw/zinc/43/30/90/346433090.db2.gz CCKIGEUUJNGVEG-WRWGMCAJSA-N 2 0 212.337 1.413 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)CCO1 ZINC000300369220 346433141 /nfs/dbraw/zinc/43/31/41/346433141.db2.gz CCKIGEUUJNGVEG-NOOOWODRSA-N 2 0 212.337 1.413 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCc2cncn2C)C1 ZINC000641797256 362743042 /nfs/dbraw/zinc/74/30/42/362743042.db2.gz ZMKOBKFDTWVPOF-NWDGAFQWSA-N 2 0 236.363 1.022 20 0 BDADRP c1n[nH]cc1CC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000641798267 362743574 /nfs/dbraw/zinc/74/35/74/362743574.db2.gz DHNPFTWLMXSXNR-KBPBESRZSA-N 2 0 248.374 1.416 20 0 BDADRP c1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)sn1 ZINC000641797693 362745545 /nfs/dbraw/zinc/74/55/45/362745545.db2.gz GBFHZSZPMMXKIR-UHFFFAOYSA-N 2 0 237.372 1.719 20 0 BDADRP c1n[nH]cc1CC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000641799717 362748284 /nfs/dbraw/zinc/74/82/84/362748284.db2.gz PVYJJLDEDBEYJP-CYBMUJFWSA-N 2 0 234.347 1.028 20 0 BDADRP CC[C@H](O)[C@H](CC)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000577094459 365813341 /nfs/dbraw/zinc/81/33/41/365813341.db2.gz GJXWKXCYCLXKDQ-CYDGBPFRSA-N 2 0 228.380 1.514 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000641804301 362761601 /nfs/dbraw/zinc/76/16/01/362761601.db2.gz YAIIFWLYRXEFST-QJPTWQEYSA-N 3 0 225.380 1.092 20 0 BDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000641801699 362756860 /nfs/dbraw/zinc/75/68/60/362756860.db2.gz DZAJOFAGLMLART-RYUDHWBXSA-N 3 0 225.380 1.092 20 0 BDADRP CN(C)c1ccccc1C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641802262 362758499 /nfs/dbraw/zinc/75/84/99/362758499.db2.gz IMYLJDTUCACJIT-UONOGXRCSA-N 2 0 247.386 1.968 20 0 BDADRP C[C@H]1CCN(CC[NH2+][C@H]2COC(C)(C)C2)C1 ZINC000564552035 323128025 /nfs/dbraw/zinc/12/80/25/323128025.db2.gz JKSMCNQSLHSMRT-NWDGAFQWSA-N 2 0 226.364 1.485 20 0 BDADRP CC[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000104949892 346546180 /nfs/dbraw/zinc/54/61/80/346546180.db2.gz AQNHIZZXFFESMF-ZIAGYGMSSA-N 2 0 239.407 1.497 20 0 BDADRP CC[NH+]1CCC([NH2+]CCc2cncn2C)CC1 ZINC000401892217 323130082 /nfs/dbraw/zinc/13/00/82/323130082.db2.gz YITHREKNJNZFFD-UHFFFAOYSA-N 2 0 236.363 1.037 20 0 BDADRP C[N@@H+]1CCCC[C@@H](C[NH2+][C@H]2CCSC2)C1 ZINC000624119508 346650924 /nfs/dbraw/zinc/65/09/24/346650924.db2.gz DGBPMEPGIJMCHB-RYUDHWBXSA-N 2 0 228.405 1.813 20 0 BDADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)[C@H]1CCCO1 ZINC000580196706 346652633 /nfs/dbraw/zinc/65/26/33/346652633.db2.gz ZFCWIMFPMBIPKM-SMDDNHRTSA-N 2 0 234.343 1.802 20 0 BDADRP C[NH2+]C1CC[NH+](C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000382077341 347140278 /nfs/dbraw/zinc/14/02/78/347140278.db2.gz UUUVECATBBWQJY-AAEUAGOBSA-N 2 0 226.364 1.221 20 0 BDADRP Cc1n[nH]cc1CN1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622004804 370655687 /nfs/dbraw/zinc/65/56/87/370655687.db2.gz VFKKNYCAEYKEBW-RYUDHWBXSA-N 2 0 220.320 1.031 20 0 BDADRP CC[NH+]1CCC(N[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000309664255 347130784 /nfs/dbraw/zinc/13/07/84/347130784.db2.gz SOMWBKSAYYXFIE-DGCLKSJQSA-N 2 0 225.380 1.010 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@@H](OC)C1CC1 ZINC000388304945 347303574 /nfs/dbraw/zinc/30/35/74/347303574.db2.gz PFFCBXWRFYVYME-WCFLWFBJSA-N 2 0 244.379 1.143 20 0 BDADRP C[C@@H]1CCCC[C@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000334430274 347411072 /nfs/dbraw/zinc/41/10/72/347411072.db2.gz VADFYAQFQWJMOF-CHWSQXEVSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@H]1COCC[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000192551693 347376615 /nfs/dbraw/zinc/37/66/15/347376615.db2.gz WCYPBRQNKMXDHA-WCQYABFASA-N 2 0 226.364 1.343 20 0 BDADRP C[N@H+](CCCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000577231800 365893847 /nfs/dbraw/zinc/89/38/47/365893847.db2.gz RCVBLLSWSCTAOV-QWHCGFSZSA-N 3 0 239.407 1.720 20 0 BDADRP CSCC1CCC([NH2+]C[C@H](C)[NH3+])CC1 ZINC000591580651 347677341 /nfs/dbraw/zinc/67/73/41/347677341.db2.gz FVDXFTMWYIGHOC-WHXUTIOJSA-N 2 0 216.394 1.845 20 0 BDADRP CSCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000591567787 347670601 /nfs/dbraw/zinc/67/06/01/347670601.db2.gz HHZOZILQTUTNBR-UHFFFAOYSA-N 2 0 202.367 1.457 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1CCSC1 ZINC000577280542 365916242 /nfs/dbraw/zinc/91/62/42/365916242.db2.gz WSPSVUIGRHHHKZ-AEJSXWLSSA-N 2 0 202.367 1.455 20 0 BDADRP CC[C@@H]1C[N@H+](CCC(=O)OC(C)C)CC[C@@H]1[NH3+] ZINC000592488807 347786976 /nfs/dbraw/zinc/78/69/76/347786976.db2.gz OOVPSCYXLQZYFI-NEPJUHHUSA-N 2 0 242.363 1.387 20 0 BDADRP CC(C)OC(=O)C[C@H](N[C@H]1CC[NH2+]C1)C(C)C ZINC000594583536 348076779 /nfs/dbraw/zinc/07/67/79/348076779.db2.gz UMJAXXLWHBIQFL-RYUDHWBXSA-N 2 0 242.363 1.304 20 0 BDADRP COCc1cccc(C[NH2+]C2CC[NH2+]CC2)c1 ZINC000038041583 348038092 /nfs/dbraw/zinc/03/80/92/348038092.db2.gz QNNXYRUYBYBYAJ-UHFFFAOYSA-N 2 0 234.343 1.675 20 0 BDADRP CC[C@H](C[NH+]1CCC2(CCC[N@@H+]2C)CC1)OC ZINC000419231523 192112115 /nfs/dbraw/zinc/11/21/15/192112115.db2.gz SAIQUBDZRNOFHG-CYBMUJFWSA-N 2 0 240.391 1.972 20 0 BDADRP C/C=C\C[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623494911 362918861 /nfs/dbraw/zinc/91/88/61/362918861.db2.gz IUXLYTKBJLYMKI-NTQVKLLNSA-N 2 0 240.391 1.776 20 0 BDADRP OC[C@H](CC(F)F)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000429452848 192146437 /nfs/dbraw/zinc/14/64/37/192146437.db2.gz QTQAVYJNYOXJHV-GARJFASQSA-N 2 0 248.317 1.219 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+]CCCC[NH+](C)C)C1 ZINC000069847893 490189059 /nfs/dbraw/zinc/18/90/59/490189059.db2.gz DHERUSPPARWKRP-CHWSQXEVSA-N 2 0 228.380 1.875 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCCOC1 ZINC000070013916 490197233 /nfs/dbraw/zinc/19/72/33/490197233.db2.gz BLHXSDUUCNGIBC-MNOVXSKESA-N 2 0 200.326 1.095 20 0 BDADRP C[NH+](C)CC1CC[NH+](CCCCCO)CC1 ZINC000051019983 348926323 /nfs/dbraw/zinc/92/63/23/348926323.db2.gz HQQFHQGKQZULFY-UHFFFAOYSA-N 2 0 228.380 1.423 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)[C@H]1CCCO1 ZINC000054240511 348960931 /nfs/dbraw/zinc/96/09/31/348960931.db2.gz QYZRBZHJMVXFMN-RWMBFGLXSA-N 2 0 226.364 1.485 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000250627786 349176592 /nfs/dbraw/zinc/17/65/92/349176592.db2.gz QNHGDAWSKDRIJP-RDBSUJKOSA-N 3 0 239.407 1.435 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CC2=CCCOC2)CC1(C)C ZINC000623525354 362944530 /nfs/dbraw/zinc/94/45/30/362944530.db2.gz HQUYGJWPZWZCMY-ZDUSSCGKSA-N 2 0 238.375 1.796 20 0 BDADRP CC[C@H](CCO)[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386536972 349250109 /nfs/dbraw/zinc/25/01/09/349250109.db2.gz CCKSKDULOSXXIC-TUAOUCFPSA-N 2 0 214.353 1.268 20 0 BDADRP C[C@@H](c1cnccn1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070480064 350014998 /nfs/dbraw/zinc/01/49/98/350014998.db2.gz HNBYZAOTZSSICC-NWDGAFQWSA-N 2 0 234.347 1.598 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)c2cnccn2)CC1 ZINC000070480051 350015140 /nfs/dbraw/zinc/01/51/40/350015140.db2.gz ZDEIPDMDOJTVDB-GHMZBOCLSA-N 2 0 234.347 1.597 20 0 BDADRP CCOC[C@H](C)[NH2+]CCC[NH+](CC)CC ZINC000131450802 191015381 /nfs/dbraw/zinc/01/53/81/191015381.db2.gz YSFQSBUDUPPFFP-LBPRGKRZSA-N 2 0 216.369 1.733 20 0 BDADRP CC(C)[C@@H](CO)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132169678 191026365 /nfs/dbraw/zinc/02/63/65/191026365.db2.gz DOTDWQFRHDVYEW-BFHYXJOUSA-N 2 0 234.343 1.738 20 0 BDADRP C[C@H]([NH2+]CCOCC[NH+](C)C)C1CCCC1 ZINC000219306860 350121982 /nfs/dbraw/zinc/12/19/82/350121982.db2.gz PKAOQSSOGPJMOC-LBPRGKRZSA-N 2 0 228.380 1.733 20 0 BDADRP C[C@@H]([NH2+]CCCF)C1CC[NH+](C)CC1 ZINC000126885403 490344530 /nfs/dbraw/zinc/34/45/30/490344530.db2.gz BGFWFNWESILQGG-SNVBAGLBSA-N 2 0 202.317 1.666 20 0 BDADRP CCOCCC[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000083552512 350242564 /nfs/dbraw/zinc/24/25/64/350242564.db2.gz BSEVVZKOALXJSR-LBPRGKRZSA-N 2 0 214.353 1.474 20 0 BDADRP CC[C@@H](NC[C@@H]1CCC[N@@H+]1CC)[C@@H]1CCC[NH2+]1 ZINC000422755600 192455720 /nfs/dbraw/zinc/45/57/20/192455720.db2.gz KRGHPSQDGCUDHO-MJBXVCDLSA-N 2 0 239.407 1.591 20 0 BDADRP Cc1nccn1CCC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357089944 180242440 /nfs/dbraw/zinc/24/24/40/180242440.db2.gz QDYRXJSOPPUTPU-UONOGXRCSA-N 2 0 248.374 1.123 20 0 BDADRP Cc1nccnc1CC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000340495206 180273423 /nfs/dbraw/zinc/27/34/23/180273423.db2.gz UYFWGPWUIQKMDD-WCQYABFASA-N 2 0 248.374 1.257 20 0 BDADRP CC(C)OCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422756004 192456703 /nfs/dbraw/zinc/45/67/03/192456703.db2.gz INNXPSDTUUNDEF-FUNVUKJBSA-N 2 0 226.364 1.674 20 0 BDADRP CN1CCN(C)[C@H](C[NH2+]C[C@H]2CC=CCC2)C1 ZINC000068800536 350285599 /nfs/dbraw/zinc/28/55/99/350285599.db2.gz WEYVVCXLOPTHLW-UONOGXRCSA-N 2 0 237.391 1.178 20 0 BDADRP C(CNC1CC[NH2+]CC1)C[NH+]1CCCCC1 ZINC000038040678 350303051 /nfs/dbraw/zinc/30/30/51/350303051.db2.gz HFKVEMSJROEIKM-UHFFFAOYSA-N 2 0 225.380 1.204 20 0 BDADRP C[C@H](CC1CCC1)[NH2+]C[C@@H]1CN(C)CCN1C ZINC000130820460 490456584 /nfs/dbraw/zinc/45/65/84/490456584.db2.gz XDSKQHAUAZNBFY-TZMCWYRMSA-N 2 0 239.407 1.401 20 0 BDADRP Cc1ncsc1CC[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000228202133 180308645 /nfs/dbraw/zinc/30/86/45/180308645.db2.gz PXALRNXZOUZEDC-ONGXEEELSA-N 2 0 239.388 1.663 20 0 BDADRP CCC[N@H+](C)CC(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000429184566 191100968 /nfs/dbraw/zinc/10/09/68/191100968.db2.gz QTDSIVZJKUYPMJ-CYBMUJFWSA-N 2 0 243.395 1.208 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCC[C@H]2O)CC[C@@H]1[NH3+] ZINC000328218631 350393917 /nfs/dbraw/zinc/39/39/17/350393917.db2.gz XRXZPDBSYHRCPX-MROQNXINSA-N 2 0 226.364 1.207 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)NCC1([NH+](C)C)CCCC1 ZINC000422788299 192468777 /nfs/dbraw/zinc/46/87/77/192468777.db2.gz RCBXESQDBZXKIE-NEPJUHHUSA-N 2 0 227.396 1.576 20 0 BDADRP C(C[NH2+][C@H]1CCCSC1)C[NH+]1CCCC1 ZINC000061571800 350518758 /nfs/dbraw/zinc/51/87/58/350518758.db2.gz NZVAHYDGYJNGHY-LBPRGKRZSA-N 2 0 228.405 1.958 20 0 BDADRP CCOCCN1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000070584267 350540855 /nfs/dbraw/zinc/54/08/55/350540855.db2.gz SIBQVLXWWBKHJC-GFCCVEGCSA-N 2 0 214.353 1.485 20 0 BDADRP CCCCOCC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000577492646 365968108 /nfs/dbraw/zinc/96/81/08/365968108.db2.gz HPQXEJLYGYYBIG-CQSZACIVSA-N 2 0 240.391 1.879 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCN2CCC(C)CC2)[C@H](C)O1 ZINC000384899636 350628954 /nfs/dbraw/zinc/62/89/54/350628954.db2.gz NDQXJKXTWZOYQR-HZSPNIEDSA-N 2 0 240.391 1.874 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CCOC2)[C@@H](C)C1 ZINC000347431520 133833631 /nfs/dbraw/zinc/83/36/31/133833631.db2.gz ODMAMDIQBDJWDJ-IHRRRGAJSA-N 2 0 240.391 1.733 20 0 BDADRP Cc1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)ccn1 ZINC000623560278 362982970 /nfs/dbraw/zinc/98/29/70/362982970.db2.gz AEWQRBDETCGGOQ-OKILXGFUSA-N 2 0 233.359 1.820 20 0 BDADRP Cc1nc(CN(C)C[C@H]2CCC[N@@H+]2C)[nH]c1C ZINC000628316122 351046640 /nfs/dbraw/zinc/04/66/40/351046640.db2.gz JPGMPWXAASFUQK-GFCCVEGCSA-N 2 0 236.363 1.553 20 0 BDADRP CO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623574627 363004836 /nfs/dbraw/zinc/00/48/36/363004836.db2.gz SFBAETYPCVNSKZ-WZRBSPASSA-N 2 0 226.364 1.626 20 0 BDADRP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000252713471 538100124 /nfs/dbraw/zinc/10/01/24/538100124.db2.gz PGIJKYTYLLJWOL-OBJOEFQTSA-N 2 0 240.391 1.731 20 0 BDADRP CC[NH+](CC)CCN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000036907813 358464379 /nfs/dbraw/zinc/46/43/79/358464379.db2.gz VBIBSXCZFKRXFQ-MELADBBJSA-N 2 0 241.423 1.647 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3n[nH]cc3C2)C1 ZINC000577626402 366024662 /nfs/dbraw/zinc/02/46/62/366024662.db2.gz DQBFGEZWFSPDKF-IJLUTSLNSA-N 2 0 234.347 1.127 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)[C@@H](C)[NH+](C)C)c1 ZINC000637808797 351645203 /nfs/dbraw/zinc/64/52/03/351645203.db2.gz FSWZBJMLBQOIOA-SNVBAGLBSA-N 2 0 235.331 1.295 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)C2=CC[C@H]([NH3+])C2)c1 ZINC000637810004 351650335 /nfs/dbraw/zinc/65/03/35/351650335.db2.gz ZNTRFBQFBFLCNV-LBPRGKRZSA-N 2 0 245.326 1.392 20 0 BDADRP Cc1cnc(CC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cn1 ZINC000577739766 366049236 /nfs/dbraw/zinc/04/92/36/366049236.db2.gz KPLCOFNCIDCPEY-OCCSQVGLSA-N 2 0 248.374 1.435 20 0 BDADRP CC(C)[C@@H]([NH3+])CNC(=O)C[N@H+](C)CC(C)(C)C ZINC000637849111 351706819 /nfs/dbraw/zinc/70/68/19/351706819.db2.gz MSKBSRWVVUDUQP-NSHDSACASA-N 2 0 243.395 1.064 20 0 BDADRP CC[NH2+]CCC[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000577720045 366042704 /nfs/dbraw/zinc/04/27/04/366042704.db2.gz NQMJWRRYHUPAGA-NWDGAFQWSA-N 2 0 214.353 1.391 20 0 BDADRP NC[C@@H]([NH2+]CC1CC[NH2+]CC1)C1CCCCC1 ZINC000414851021 351830429 /nfs/dbraw/zinc/83/04/29/351830429.db2.gz OHXJJEHDDCNOFN-CQSZACIVSA-N 2 0 239.407 1.483 20 0 BDADRP CC[NH2+][C@H](C)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000638066679 351938478 /nfs/dbraw/zinc/93/84/78/351938478.db2.gz KKVXHUTYSRIGLQ-LLVKDONJSA-N 2 0 249.358 1.685 20 0 BDADRP C[C@H]([NH2+]Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC000414854633 351905109 /nfs/dbraw/zinc/90/51/09/351905109.db2.gz MBOMPZHBURXUPU-WCQYABFASA-N 2 0 219.332 1.559 20 0 BDADRP CC(C)(C)[NH2+]CCN1CC[NH2+]Cc2ccccc21 ZINC000414854702 351906189 /nfs/dbraw/zinc/90/61/89/351906189.db2.gz ZTPPVYXSYISJRS-UHFFFAOYSA-N 2 0 247.386 1.984 20 0 BDADRP CC[C@@](C)(C[N@@H+]1CC[C@H](C[NH+](C)C)C1)OC ZINC000638077618 351950974 /nfs/dbraw/zinc/95/09/74/351950974.db2.gz VTFWXGXZSBTGTF-OLZOCXBDSA-N 2 0 228.380 1.685 20 0 BDADRP CC(C)CC[C@@H]([NH3+])C(=O)N[C@@H](C)CC[NH+](C)C ZINC000638084417 351960591 /nfs/dbraw/zinc/96/05/91/351960591.db2.gz LJBXYHPAWVMSAG-NWDGAFQWSA-N 2 0 243.395 1.206 20 0 BDADRP C(CN1C[C@@H]2CCC[NH2+][C@@H]2C1)C1CCOCC1 ZINC000638089243 351966034 /nfs/dbraw/zinc/96/60/34/351966034.db2.gz LOXKLKSKXAQIHV-UONOGXRCSA-N 2 0 238.375 1.487 20 0 BDADRP C[N@@H+]1CC[C@H](CC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000638174360 352043167 /nfs/dbraw/zinc/04/31/67/352043167.db2.gz LWABIGSGHLCABM-GFCCVEGCSA-N 2 0 247.342 1.426 20 0 BDADRP Cc1ncc([C@@H](C)N2C[C@H]3C[NH2+]C[C@H]3C2)c(C)n1 ZINC000638186399 352050258 /nfs/dbraw/zinc/05/02/58/352050258.db2.gz SPVFTWHUJLIPQA-RTXFEEFZSA-N 2 0 246.358 1.306 20 0 BDADRP CC(C)CC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000638195269 352057984 /nfs/dbraw/zinc/05/79/84/352057984.db2.gz LARNLEIYJFOGCC-VXGBXAGGSA-N 2 0 241.379 1.008 20 0 BDADRP CC[C@H](C(=O)Nc1ccc(C[NH2+]C)cc1)[NH+](C)C ZINC000638256455 352099614 /nfs/dbraw/zinc/09/96/14/352099614.db2.gz QWIBYEHPGNKTDD-CYBMUJFWSA-N 2 0 249.358 1.685 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@H]1CS[C@H](C)C1 ZINC000638360491 352171539 /nfs/dbraw/zinc/17/15/39/352171539.db2.gz SCBFLBXCPLSWIH-VXGBXAGGSA-N 2 0 246.420 1.438 20 0 BDADRP C(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C[C@@H]1CCO1 ZINC000638378471 352189546 /nfs/dbraw/zinc/18/95/46/352189546.db2.gz XEQWBVJKCGJDGG-HZSPNIEDSA-N 2 0 238.375 1.772 20 0 BDADRP C[C@@H](C[NH2+]CCC[C@H]1CCO1)C[NH+]1CCCC1 ZINC000638385332 352195999 /nfs/dbraw/zinc/19/59/99/352195999.db2.gz HWQWVWIJOGZFOP-KBPBESRZSA-N 2 0 240.391 1.877 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+]CCC[C@H]2CCO2)C1 ZINC000638409440 352218775 /nfs/dbraw/zinc/21/87/75/352218775.db2.gz MHDKIBGIAZPOLH-KGLIPLIRSA-N 2 0 240.391 1.877 20 0 BDADRP O[C@@H](C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)C[NH+]1CCCC1 ZINC000638413167 352221528 /nfs/dbraw/zinc/22/15/28/352221528.db2.gz WZSROYVYGNULNG-CRWXNKLISA-N 2 0 238.375 1.079 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](CCC2(O)CCC2)C1 ZINC000411115903 191160838 /nfs/dbraw/zinc/16/08/38/191160838.db2.gz JFTZSLIHYKPYPK-CYBMUJFWSA-N 2 0 240.391 1.565 20 0 BDADRP C[NH+](C)CCCC[NH2+]CCC[C@@H]1CCO1 ZINC000638450497 352261295 /nfs/dbraw/zinc/26/12/95/352261295.db2.gz DQTPBOSWFWYFBV-GFCCVEGCSA-N 2 0 214.353 1.487 20 0 BDADRP Cc1c[nH]nc1CNC[C@]1(C)CCC[NH2+]C1 ZINC000414915673 352266501 /nfs/dbraw/zinc/26/65/01/352266501.db2.gz ONBSHYISPCEHBM-GFCCVEGCSA-N 2 0 222.336 1.197 20 0 BDADRP CCSCC[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000405468464 352381809 /nfs/dbraw/zinc/38/18/09/352381809.db2.gz KJGBJRLTEOWGKZ-IUCAKERBSA-N 2 0 202.367 1.455 20 0 BDADRP C[NH+]1CCC(CC[NH2+]CCC[C@@H]2CCO2)CC1 ZINC000638567177 352393922 /nfs/dbraw/zinc/39/39/22/352393922.db2.gz YRGLLUBXZAWNFJ-CQSZACIVSA-N 2 0 240.391 1.877 20 0 BDADRP C[NH+]1CCC(C[NH2+]Cc2cc(C3CC3)no2)CC1 ZINC000638568007 352395741 /nfs/dbraw/zinc/39/57/41/352395741.db2.gz VAWPEMIDALVNMT-UHFFFAOYSA-N 2 0 249.358 1.983 20 0 BDADRP CCN(CC[NH3+])C(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000638523004 352357329 /nfs/dbraw/zinc/35/73/29/352357329.db2.gz YURKGXAVOJXXGV-WCQYABFASA-N 2 0 249.358 1.130 20 0 BDADRP CC(C)(C)[NH2+]CCN[C@H]1CC[NH2+]CC1(C)C ZINC000414979981 352417163 /nfs/dbraw/zinc/41/71/63/352417163.db2.gz VWKUTXFRONXPFU-NSHDSACASA-N 2 0 227.396 1.352 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)[C@H]1CC1(F)F ZINC000638589100 352420718 /nfs/dbraw/zinc/42/07/18/352420718.db2.gz RDAIAHNSURRVBQ-GARJFASQSA-N 2 0 232.318 1.962 20 0 BDADRP CC[NH+](CC)CCCNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000040458426 352597949 /nfs/dbraw/zinc/59/79/49/352597949.db2.gz RIPLJYCKISUAGJ-LLVKDONJSA-N 2 0 243.395 1.208 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000300368871 352560653 /nfs/dbraw/zinc/56/06/53/352560653.db2.gz UZZOZJXRNHKHMM-AVGNSLFASA-N 2 0 227.396 1.576 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@H](O)C(C)(C)C1 ZINC000334215563 352814942 /nfs/dbraw/zinc/81/49/42/352814942.db2.gz UGUUNNWUDGBBCZ-STQMWFEESA-N 2 0 240.391 1.564 20 0 BDADRP Cc1nc(C)c(C)c(NCC2=CC[N@H+](C)CC2)n1 ZINC000342815570 352863325 /nfs/dbraw/zinc/86/33/25/352863325.db2.gz DLFWBWWOSBPDJC-UHFFFAOYSA-N 2 0 246.358 1.498 20 0 BDADRP C[C@]1(CN2CCC[C@]3(CC[NH2+]C3)C2)CC[NH2+]C1 ZINC000334255684 352865645 /nfs/dbraw/zinc/86/56/45/352865645.db2.gz YUSKMRWPSQJWAB-UONOGXRCSA-N 3 0 237.391 1.062 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000449631358 201991104 /nfs/dbraw/zinc/99/11/04/201991104.db2.gz KNUCGNPVKAUGGD-GVXVVHGQSA-N 2 0 241.379 1.138 20 0 BDADRP CC[NH+](CC)CCC[NH2+]CCC[C@H]1CCO1 ZINC000638865390 353039115 /nfs/dbraw/zinc/03/91/15/353039115.db2.gz VWZUOBZJWQNEPT-ZDUSSCGKSA-N 2 0 228.380 1.877 20 0 BDADRP CC(C)([NH3+])CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000346842172 535199006 /nfs/dbraw/zinc/19/90/06/535199006.db2.gz HNEREUMPDHDWDA-LBPRGKRZSA-N 2 0 225.380 1.284 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCC1CCOCC1 ZINC000310581812 188002620 /nfs/dbraw/zinc/00/26/20/188002620.db2.gz RJFSBSJZYGWUBI-JSGCOSHPSA-N 2 0 240.391 1.733 20 0 BDADRP CC[C@@H]1CCCC[N@@H+]1CCNC1=[NH+]CCCN1 ZINC000073840207 353118187 /nfs/dbraw/zinc/11/81/87/353118187.db2.gz DWLMWKJLQRURRI-GFCCVEGCSA-N 2 0 238.379 1.190 20 0 BDADRP C(C[NH2+][C@@H]1CCSC1)C[NH+]1CCCCC1 ZINC000020128715 188005860 /nfs/dbraw/zinc/00/58/60/188005860.db2.gz CBCXEAWTIBXIBK-GFCCVEGCSA-N 2 0 228.405 1.958 20 0 BDADRP Cc1ncc(C[NH2+]CC2CC[NH+](C)CC2)s1 ZINC000044515155 188044213 /nfs/dbraw/zinc/04/42/13/188044213.db2.gz RLZQCSFTUNDPSH-UHFFFAOYSA-N 2 0 239.388 1.883 20 0 BDADRP C=Cn1cc(C[N@H+](C)CCCn2ccnc2)cn1 ZINC000290452418 188035774 /nfs/dbraw/zinc/03/57/74/188035774.db2.gz MLAXANZZMFISOL-UHFFFAOYSA-N 2 0 245.330 1.702 20 0 BDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)CC[C@@H](C)[NH3+] ZINC000070315054 188047794 /nfs/dbraw/zinc/04/77/94/188047794.db2.gz FSRZWLNFPASERK-NEPJUHHUSA-N 2 0 243.395 1.206 20 0 BDADRP Cc1ncc(C[NH2+]CC[C@H]2CCC[NH2+]C2)s1 ZINC000054309199 188048702 /nfs/dbraw/zinc/04/87/02/188048702.db2.gz AWMXOCJLXPKHSS-LLVKDONJSA-N 2 0 239.388 1.931 20 0 BDADRP C([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@@H]1CCCO1 ZINC000093451114 188049906 /nfs/dbraw/zinc/04/99/06/188049906.db2.gz YIWPBXNRFNDZNT-XDQVBPFNSA-N 2 0 238.375 1.676 20 0 BDADRP CC1(C)OCC[C@@H]1[NH2+]CCCn1ccnc1 ZINC000293794523 188050659 /nfs/dbraw/zinc/05/06/59/188050659.db2.gz QVMUFNQVHYAHEI-NSHDSACASA-N 2 0 223.320 1.430 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000332060581 188052836 /nfs/dbraw/zinc/05/28/36/188052836.db2.gz YQQRXKDDQFKMIE-QJPTWQEYSA-N 2 0 214.353 1.253 20 0 BDADRP C([NH2+]C1CCCC1)c1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000333559869 188054451 /nfs/dbraw/zinc/05/44/51/188054451.db2.gz KTPQLZSHXNLESK-UHFFFAOYSA-N 2 0 249.362 1.304 20 0 BDADRP CC[N@@H+]1CCN(c2ncnc3[nH]ccc32)[C@H](C)C1 ZINC000343266006 353278446 /nfs/dbraw/zinc/27/84/46/353278446.db2.gz PWEYGFKAMXMHBM-SNVBAGLBSA-N 2 0 245.330 1.488 20 0 BDADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)C[C@H]1CCCCO1 ZINC000250000867 353267520 /nfs/dbraw/zinc/26/75/20/353267520.db2.gz RCCOLFKNZUXYTP-ZIAGYGMSSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@H](CC(N)=O)[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000252982593 353313823 /nfs/dbraw/zinc/31/38/23/353313823.db2.gz XEJMKZCMDWAZQP-QJPTWQEYSA-N 2 0 241.379 1.151 20 0 BDADRP OC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CCC1 ZINC000252978272 353314026 /nfs/dbraw/zinc/31/40/26/353314026.db2.gz BCBZDFQFMSRBHI-JHJVBQTASA-N 2 0 238.375 1.412 20 0 BDADRP CC1CCC(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000085282361 538116149 /nfs/dbraw/zinc/11/61/49/538116149.db2.gz ODMVQPVKHQBGKB-NWINJMCUSA-N 2 0 222.376 1.964 20 0 BDADRP C[NH2+]CCC(=O)N1CC[C@H](C[NH3+])c2ccccc21 ZINC000639064208 353374571 /nfs/dbraw/zinc/37/45/71/353374571.db2.gz CQRGDRRRUJGYFX-LLVKDONJSA-N 2 0 247.342 1.075 20 0 BDADRP C[NH2+][C@@H](C)C(=O)N1CC[C@H](C[NH3+])c2ccccc21 ZINC000639066054 353377583 /nfs/dbraw/zinc/37/75/83/353377583.db2.gz SWGAHMFXKQYNFX-WDEREUQCSA-N 2 0 247.342 1.074 20 0 BDADRP CC(C)=CC[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639101155 353523787 /nfs/dbraw/zinc/52/37/87/353523787.db2.gz XNKNWRZBDRQHTG-UHFFFAOYSA-N 2 0 240.391 1.778 20 0 BDADRP Cc1ccoc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000308871636 353587087 /nfs/dbraw/zinc/58/70/87/353587087.db2.gz ZEBLFROSMLINFR-GHMZBOCLSA-N 2 0 208.305 1.948 20 0 BDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)CC[C@@H](C)[NH3+] ZINC000193309798 353589940 /nfs/dbraw/zinc/58/99/40/353589940.db2.gz DFIAOTSRUDMDDJ-NEPJUHHUSA-N 2 0 241.379 1.104 20 0 BDADRP CC[NH+]1CCC(N(C)C[C@]2(C)CC[NH2+]C2)CC1 ZINC000062911991 353573845 /nfs/dbraw/zinc/57/38/45/353573845.db2.gz ITHIJOSEVNXXHH-CQSZACIVSA-N 2 0 239.407 1.402 20 0 BDADRP c1cn(CCC[N@@H+]2CCC[C@H]3COCC[C@@H]32)cn1 ZINC000343313275 353626181 /nfs/dbraw/zinc/62/61/81/353626181.db2.gz GXUFDGBSEWWVBL-KBPBESRZSA-N 2 0 249.358 1.774 20 0 BDADRP CC[C@@](C)(C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)OC ZINC000639113235 353711024 /nfs/dbraw/zinc/71/10/24/353711024.db2.gz LMEDGOZJHHTJGE-XQQFMLRXSA-N 2 0 226.364 1.295 20 0 BDADRP CC[C@H](C)[C@H](C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)OC ZINC000639113867 353715102 /nfs/dbraw/zinc/71/51/02/353715102.db2.gz YIQBPGBHWYZLFW-FQUUOJAGSA-N 2 0 240.391 1.541 20 0 BDADRP CCCN(CC(=O)OCC)C[C@H]1CCC[NH2+]C1 ZINC000220366921 353837394 /nfs/dbraw/zinc/83/73/94/353837394.db2.gz ASPKGBKLARXCNG-LBPRGKRZSA-N 2 0 242.363 1.261 20 0 BDADRP CC[NH+]1C[C@H](NC[C@H]2CC[N@@H+](CC)C2)[C@@H](C)C1 ZINC000343557950 353920792 /nfs/dbraw/zinc/92/07/92/353920792.db2.gz GOHAHIVIBIXIQJ-MJBXVCDLSA-N 2 0 239.407 1.258 20 0 BDADRP CCCC[N@H+](C)C[C@H](C)N[C@H]1C[NH+](C)C[C@@H]1C ZINC000343987612 354061841 /nfs/dbraw/zinc/06/18/41/354061841.db2.gz OCQQGRMSXLJXLU-IHRRRGAJSA-N 2 0 241.423 1.647 20 0 BDADRP CCC[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344047179 354120957 /nfs/dbraw/zinc/12/09/57/354120957.db2.gz YQGWRAQYFXUWGA-UHFFFAOYSA-N 2 0 215.385 1.212 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000449686767 202002250 /nfs/dbraw/zinc/00/22/50/202002250.db2.gz YBLCGQASRBGSHC-NEPJUHHUSA-N 2 0 241.379 1.152 20 0 BDADRP CCC(CC)(CO)NCC[NH2+]C(C)(C)C ZINC000230973847 363332317 /nfs/dbraw/zinc/33/23/17/363332317.db2.gz ZYLNTYYFUAKWHT-UHFFFAOYSA-N 2 0 216.369 1.515 20 0 BDADRP CC[N@H+](CCC[NH+](C)C)C[C@@H](OC)C1CC1 ZINC000639175985 354212996 /nfs/dbraw/zinc/21/29/96/354212996.db2.gz SPIGOPOTMLFIND-CYBMUJFWSA-N 2 0 228.380 1.685 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000344763279 354355988 /nfs/dbraw/zinc/35/59/88/354355988.db2.gz UEYAUDCDPOYPEM-RQJABVFESA-N 2 0 239.407 1.399 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000344763275 354356056 /nfs/dbraw/zinc/35/60/56/354356056.db2.gz UEYAUDCDPOYPEM-MQYQWHSLSA-N 2 0 239.407 1.399 20 0 BDADRP C[C@@H]1CC[C@@H](C)[NH+]1Cc1cnc(N(C)C)n1C ZINC000335085882 354619838 /nfs/dbraw/zinc/61/98/38/354619838.db2.gz OIGQJTGDVMUPLS-GHMZBOCLSA-N 2 0 236.363 1.859 20 0 BDADRP CCCCO[C@@H]1C[C@@H](N(C)CC[NH3+])C1(C)C ZINC000345542007 354677486 /nfs/dbraw/zinc/67/74/86/354677486.db2.gz RXGYIEXKFJORBH-VXGBXAGGSA-N 2 0 228.380 1.861 20 0 BDADRP CC(C)COCC[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000232674116 363378479 /nfs/dbraw/zinc/37/84/79/363378479.db2.gz MZKBHZNLBDDGNF-GFCCVEGCSA-N 2 0 214.353 1.330 20 0 BDADRP c1ccc2c(c1)CC[C@H]([NH2+]C1CC[NH2+]CC1)CO2 ZINC000335171225 354935282 /nfs/dbraw/zinc/93/52/82/354935282.db2.gz YJCFWXVQYQRRBZ-AWEZNQCLSA-N 2 0 246.354 1.722 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2CCCO2)C1 ZINC000346460650 354964469 /nfs/dbraw/zinc/96/44/69/354964469.db2.gz MXUZTBUEHZZEAW-MCIONIFRSA-N 2 0 240.391 1.875 20 0 BDADRP CCN(CCO)CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000346537635 354979999 /nfs/dbraw/zinc/97/99/99/354979999.db2.gz RXCBWOHCTLPNQA-HZSPNIEDSA-N 2 0 242.407 1.715 20 0 BDADRP C[C@H](CC1CCOCC1)C[N@@H+]1CCC[NH2+]CC1 ZINC000346651331 355019016 /nfs/dbraw/zinc/01/90/16/355019016.db2.gz ODMMZDHSXRAASN-CYBMUJFWSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCN(Cc2ccn(C(F)F)n2)C1 ZINC000346691822 355075424 /nfs/dbraw/zinc/07/54/24/355075424.db2.gz WPQYLLNFDYUTTR-IUCAKERBSA-N 2 0 244.289 1.447 20 0 BDADRP CC[NH+](CC)CCN(CCOC)CC(C)(C)[NH3+] ZINC000346824659 355126658 /nfs/dbraw/zinc/12/66/58/355126658.db2.gz CMUMCDLZYTXFQW-UHFFFAOYSA-N 2 0 245.411 1.014 20 0 BDADRP CC(C)([NH3+])CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000346842170 355133607 /nfs/dbraw/zinc/13/36/07/355133607.db2.gz HNEREUMPDHDWDA-GFCCVEGCSA-N 2 0 225.380 1.284 20 0 BDADRP CC(C)([NH3+])CN(CC[NH3+])Cc1ccccc1 ZINC000346856943 355139988 /nfs/dbraw/zinc/13/99/88/355139988.db2.gz PXQIAGUPNBQQAJ-UHFFFAOYSA-N 2 0 221.348 1.185 20 0 BDADRP C[C@@H](CN[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+](C)C ZINC000639233925 355216544 /nfs/dbraw/zinc/21/65/44/355216544.db2.gz YYFYXFAXAUQNSB-GRYCIOLGSA-N 2 0 213.369 1.009 20 0 BDADRP CCC1(CO)CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346996342 355194911 /nfs/dbraw/zinc/19/49/11/355194911.db2.gz WLYCNCRMJCRBAZ-CYBMUJFWSA-N 2 0 240.391 1.471 20 0 BDADRP C[C@@H](F)CC[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000352006600 134034646 /nfs/dbraw/zinc/03/46/46/134034646.db2.gz URMYIQSBFYHANB-OLZOCXBDSA-N 2 0 244.354 1.389 20 0 BDADRP Cc1cc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)on1 ZINC000335280505 355244262 /nfs/dbraw/zinc/24/42/62/355244262.db2.gz UAPSTIMSMWDNHX-GFCCVEGCSA-N 2 0 249.358 1.947 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc(F)c2)C1 ZINC000166226180 355336871 /nfs/dbraw/zinc/33/68/71/355336871.db2.gz UNJXXNKNLHQCIW-CMPLNLGQSA-N 2 0 222.307 1.995 20 0 BDADRP CC(C)[C@](C)(O)C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000261531934 535285678 /nfs/dbraw/zinc/28/56/78/535285678.db2.gz IKOGPMJAVXBCEB-QJPTWQEYSA-N 2 0 214.353 1.110 20 0 BDADRP C(C[C@H]1CC[NH2+]C1)[NH2+][C@@H]1CCCSC1 ZINC000414839893 191595559 /nfs/dbraw/zinc/59/55/59/191595559.db2.gz WSVXAEDALXAXPK-GHMZBOCLSA-N 2 0 214.378 1.471 20 0 BDADRP C[C@@H](CC1CCOCC1)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414839453 191595684 /nfs/dbraw/zinc/59/56/84/191595684.db2.gz WKJOQYJELJJXBS-JSGCOSHPSA-N 2 0 240.391 1.781 20 0 BDADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2ccncc2)CC1 ZINC000415022279 191655547 /nfs/dbraw/zinc/65/55/47/191655547.db2.gz IWRZMBQAFJDLRG-JOCQHMNTSA-N 2 0 233.359 1.936 20 0 BDADRP C[C@H](CC[NH3+])NC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000349989920 355547154 /nfs/dbraw/zinc/54/71/54/355547154.db2.gz OGJZMSBIAJINKT-WOPDTQHZSA-N 2 0 241.379 1.138 20 0 BDADRP CCn1nc(C)c(C[NH2+]C[C@H](C)C[NH3+])c1C ZINC000414879117 191613522 /nfs/dbraw/zinc/61/35/22/191613522.db2.gz PCGIYWYRECMCRJ-SECBINFHSA-N 2 0 224.352 1.204 20 0 BDADRP CC[C@@H](C)C[C@H](CC)[NH2+]CCN1CC[NH2+]CC1 ZINC000414886812 191615788 /nfs/dbraw/zinc/61/57/88/191615788.db2.gz QNWUCYLWOOOCEF-KGLIPLIRSA-N 2 0 241.423 1.696 20 0 BDADRP CCn1cc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)cn1 ZINC000414968485 191637019 /nfs/dbraw/zinc/63/70/19/191637019.db2.gz IFZSEONESTVPTB-CYBMUJFWSA-N 2 0 236.363 1.525 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415091388 191677231 /nfs/dbraw/zinc/67/72/31/191677231.db2.gz ZANZZYLVALYNGP-YRGRVCCFSA-N 2 0 242.407 1.761 20 0 BDADRP C1[C@@H]2[C@H]1CCC[C@@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000415108448 191680349 /nfs/dbraw/zinc/68/03/49/191680349.db2.gz KTCYEEQFMIQBIT-LOWDOPEQSA-N 2 0 208.349 1.907 20 0 BDADRP CN(C)c1ccccc1C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415031492 191657956 /nfs/dbraw/zinc/65/79/56/191657956.db2.gz GXEDVAXYUAYYPF-OCCSQVGLSA-N 2 0 247.386 1.970 20 0 BDADRP CC[C@H]([NH2+]CC1CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000415074019 191670151 /nfs/dbraw/zinc/67/01/51/191670151.db2.gz BSICYUXLKATEKH-STQMWFEESA-N 2 0 226.364 1.533 20 0 BDADRP CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000415082789 191673722 /nfs/dbraw/zinc/67/37/22/191673722.db2.gz OVSGBMRNQBIJDA-QNWHQSFQSA-N 2 0 226.364 1.532 20 0 BDADRP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C(C)C)C1 ZINC000350216190 355650146 /nfs/dbraw/zinc/65/01/46/355650146.db2.gz PBKLWSUDBBUUAK-ZDUSSCGKSA-N 2 0 228.380 1.828 20 0 BDADRP COCC1(C[N@H+](C)CC2CN(C)C2)CCC1 ZINC000639310671 355665617 /nfs/dbraw/zinc/66/56/17/355665617.db2.gz VLPWHDJJGHLSGI-UHFFFAOYSA-N 2 0 226.364 1.297 20 0 BDADRP COC[C@@H]([NH2+]CCC[N@H+](C)C(C)C)C1CC1 ZINC000166570294 355694437 /nfs/dbraw/zinc/69/44/37/355694437.db2.gz FPNVRWXROHUTAE-CYBMUJFWSA-N 2 0 228.380 1.731 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2CC(n3cccn3)C2)C1 ZINC000639312792 355684545 /nfs/dbraw/zinc/68/45/45/355684545.db2.gz MUDLGNWXAAKHFY-GIPGFSNBSA-N 2 0 248.374 1.516 20 0 BDADRP Cc1nn(C)c(C)c1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000216002856 355791810 /nfs/dbraw/zinc/79/18/10/355791810.db2.gz QQZHHTURQJYNBZ-JOYOIKCWSA-N 2 0 236.363 1.206 20 0 BDADRP COCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000336038718 134060640 /nfs/dbraw/zinc/06/06/40/134060640.db2.gz KIVPSUOQGGIVOK-LBPRGKRZSA-N 2 0 212.337 1.051 20 0 BDADRP CCOC(C)(C)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000166961379 355945065 /nfs/dbraw/zinc/94/50/65/355945065.db2.gz SPPSXPBPGVCRJS-NEPJUHHUSA-N 2 0 228.380 1.874 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1cnn(C)c1 ZINC000335919115 356165600 /nfs/dbraw/zinc/16/56/00/356165600.db2.gz IKJIXAQIBITZQU-AAEUAGOBSA-N 2 0 236.363 1.192 20 0 BDADRP C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CCCCO1 ZINC000420318534 192195012 /nfs/dbraw/zinc/19/50/12/192195012.db2.gz QCUAZTXAQCNBOP-MELADBBJSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@@H]1CN(CCC[NH+]2CCCCC2)C[C@H](C)[NH2+]1 ZINC000420300870 192207339 /nfs/dbraw/zinc/20/73/39/192207339.db2.gz VKGWIEIMQTUFST-OKILXGFUSA-N 2 0 239.407 1.545 20 0 BDADRP C[C@@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)[C@@H]1CN ZINC000420296599 192205584 /nfs/dbraw/zinc/20/55/84/192205584.db2.gz XFZZBKVIPZHARS-FRRDWIJNSA-N 2 0 225.380 1.045 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000420319754 192195856 /nfs/dbraw/zinc/19/58/56/192195856.db2.gz SCEAKQMLDHWBSN-KBPBESRZSA-N 2 0 239.407 1.402 20 0 BDADRP C[NH2+]CC1CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC000420286367 192199383 /nfs/dbraw/zinc/19/93/83/192199383.db2.gz FMIQAAXFRBTIJR-CQSZACIVSA-N 2 0 240.391 1.877 20 0 BDADRP C[NH+](C)C[C@H]1CC[N@H+](Cc2cc[nH]c(=O)c2)C1 ZINC000639490308 356308039 /nfs/dbraw/zinc/30/80/39/356308039.db2.gz WOBPZHWSGYPUFD-GFCCVEGCSA-N 2 0 235.331 1.171 20 0 BDADRP CCCN(CCC[NH+](CC)CC)[C@@H]1CC[NH2+]C1 ZINC000420282629 192199587 /nfs/dbraw/zinc/19/95/87/192199587.db2.gz BSOXFUAZMBMDBK-CQSZACIVSA-N 2 0 241.423 1.792 20 0 BDADRP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H](C)N1 ZINC000420291407 192203437 /nfs/dbraw/zinc/20/34/37/192203437.db2.gz KKZZKZYJTKNWOP-XQQFMLRXSA-N 2 0 225.380 1.058 20 0 BDADRP CCOC(=O)CC[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000420318082 192215158 /nfs/dbraw/zinc/21/51/58/192215158.db2.gz VQUFMBLOHLGTQP-LLVKDONJSA-N 2 0 228.336 1.000 20 0 BDADRP C(CN1CC[C@@H]2[NH2+]CC[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000420345542 192215496 /nfs/dbraw/zinc/21/54/96/192215496.db2.gz VQNZFNSYLOFEOY-MJBXVCDLSA-N 2 0 237.391 1.060 20 0 BDADRP C(CN1CC[C@H]2[NH2+]CC[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000420345540 192216327 /nfs/dbraw/zinc/21/63/27/192216327.db2.gz VQNZFNSYLOFEOY-MELADBBJSA-N 2 0 237.391 1.060 20 0 BDADRP Cc1ccccc1CCC[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420349604 192217274 /nfs/dbraw/zinc/21/72/74/192217274.db2.gz DHWKVIJJPSERBJ-CQSZACIVSA-N 2 0 236.359 1.179 20 0 BDADRP CCc1cccc(C[N@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000420352279 192218458 /nfs/dbraw/zinc/21/84/58/192218458.db2.gz MDFUXRDBXHJQMC-ZDUSSCGKSA-N 2 0 222.332 1.000 20 0 BDADRP CC(C)OC(=O)CC[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000420312897 192210228 /nfs/dbraw/zinc/21/02/28/192210228.db2.gz JBNHJXMBFJJRTR-LBPRGKRZSA-N 2 0 242.363 1.531 20 0 BDADRP CCC[C@H]1CNCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420310887 192211291 /nfs/dbraw/zinc/21/12/91/192211291.db2.gz QHBGVFNJNWOBJL-STQMWFEESA-N 2 0 225.380 1.060 20 0 BDADRP c1cnn([C@@H]2CCC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)c1 ZINC000420316176 192212128 /nfs/dbraw/zinc/21/21/28/192212128.db2.gz LLADMKJTPKRDFY-UONOGXRCSA-N 2 0 248.374 1.520 20 0 BDADRP C[C@@H]1[C@H](C)NCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420315861 192212676 /nfs/dbraw/zinc/21/26/76/192212676.db2.gz SBIOGFCUXHULIB-YNEHKIRRSA-N 2 0 225.380 1.058 20 0 BDADRP CCOC(=O)CC[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000420317452 192212708 /nfs/dbraw/zinc/21/27/08/192212708.db2.gz OQJPHJPBGCMPMZ-NSHDSACASA-N 2 0 228.336 1.143 20 0 BDADRP C[C@H]([NH3+])CN1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000420367855 192225739 /nfs/dbraw/zinc/22/57/39/192225739.db2.gz WILSLBUBBMCORJ-ONGXEEELSA-N 2 0 249.362 1.209 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420324885 192228839 /nfs/dbraw/zinc/22/88/39/192228839.db2.gz VPDJHLRXZHCAOU-ZIAGYGMSSA-N 3 0 239.407 1.260 20 0 BDADRP COCC[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420324980 192228911 /nfs/dbraw/zinc/22/89/11/192228911.db2.gz HTICSNMMVPMNRA-BFHYXJOUSA-N 2 0 240.391 1.733 20 0 BDADRP COC(=O)[C@@H](C)C[N@H+](C)CCC1CC[NH2+]CC1 ZINC000420358060 192220481 /nfs/dbraw/zinc/22/04/81/192220481.db2.gz IZKFSSNGXTWEJX-NSHDSACASA-N 2 0 242.363 1.117 20 0 BDADRP CCC[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000420355722 192220739 /nfs/dbraw/zinc/22/07/39/192220739.db2.gz FQQUDZPKYAMPKE-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP CC[C@H](c1ccc(F)cc1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420359380 192221256 /nfs/dbraw/zinc/22/12/56/192221256.db2.gz VUNPQNIZZWRGDX-QWHCGFSZSA-N 2 0 240.322 1.528 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000420361817 192221617 /nfs/dbraw/zinc/22/16/17/192221617.db2.gz MSZOTQDFYCQOHK-QWHCGFSZSA-N 3 0 239.407 1.354 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000420361819 192222253 /nfs/dbraw/zinc/22/22/53/192222253.db2.gz MSZOTQDFYCQOHK-STQMWFEESA-N 3 0 239.407 1.354 20 0 BDADRP NC[C@H]([NH2+]C[C@H]1CCOC1)C1CCCCC1 ZINC000420364324 192223269 /nfs/dbraw/zinc/22/32/69/192223269.db2.gz KHCFUTUCMSYLRH-YPMHNXCESA-N 2 0 226.364 1.520 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cccnc1 ZINC000420369365 192225503 /nfs/dbraw/zinc/22/55/03/192225503.db2.gz ISFFFSWAMMAPBG-RYUDHWBXSA-N 2 0 219.332 1.732 20 0 BDADRP COCC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420383695 192234501 /nfs/dbraw/zinc/23/45/01/192234501.db2.gz DNRSSHIOGOYZMU-NWDGAFQWSA-N 2 0 212.337 1.097 20 0 BDADRP C[NH2+]CCC[N@H+](C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000420381527 192235167 /nfs/dbraw/zinc/23/51/67/192235167.db2.gz XOFOWPBQRCQZKE-DOMZBBRYSA-N 2 0 248.370 1.920 20 0 BDADRP C[N@@H+]1CC[C@@H](NCCC[NH3+])[C@H]1c1ccccc1 ZINC000420390636 192236117 /nfs/dbraw/zinc/23/61/17/192236117.db2.gz ABXPQFIKPOBOBX-ZIAGYGMSSA-N 2 0 233.359 1.370 20 0 BDADRP COCCCC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420390129 192236208 /nfs/dbraw/zinc/23/62/08/192236208.db2.gz XZMAXIMUFMYIPR-CYBMUJFWSA-N 2 0 226.364 1.489 20 0 BDADRP C[N@@H+]1CC[C@H](NCCC[NH3+])[C@@H]1c1ccccc1 ZINC000420390629 192236271 /nfs/dbraw/zinc/23/62/71/192236271.db2.gz ABXPQFIKPOBOBX-KBPBESRZSA-N 2 0 233.359 1.370 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)[C@@H]1CCCO1 ZINC000420394799 192237184 /nfs/dbraw/zinc/23/71/84/192237184.db2.gz CSSZGKVAUNMWGQ-XQQFMLRXSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]1CCC[C@H]([NH2+]CCOCC[NH3+])[C@H]1C ZINC000420403123 192238049 /nfs/dbraw/zinc/23/80/49/192238049.db2.gz KOTKPSRYYNQZHX-WOPDTQHZSA-N 2 0 214.353 1.376 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@@H]2CCCCO2)C[C@H]1C[NH3+] ZINC000420411540 192239483 /nfs/dbraw/zinc/23/94/83/192239483.db2.gz RVFANXZISXYXND-MCIONIFRSA-N 2 0 240.391 1.862 20 0 BDADRP [NH3+]CCC[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000420416808 192241075 /nfs/dbraw/zinc/24/10/75/192241075.db2.gz VXOFAYZGIGQBRG-KBPBESRZSA-N 2 0 234.343 1.703 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CCOCC[NH3+])[C@H](C)C1 ZINC000420421296 192242312 /nfs/dbraw/zinc/24/23/12/192242312.db2.gz YQJBXFUHPHGTEL-UTUOFQBUSA-N 2 0 214.353 1.376 20 0 BDADRP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000631180707 356455231 /nfs/dbraw/zinc/45/52/31/356455231.db2.gz IJTAUJPVLLSUFK-ZDUSSCGKSA-N 2 0 249.358 1.609 20 0 BDADRP Cn1cncc1CC[N@@H+]1CC[C@H](C(F)F)C1 ZINC000639554344 356456596 /nfs/dbraw/zinc/45/65/96/356456596.db2.gz JMIFUDGGODTLRL-VIFPVBQESA-N 2 0 229.274 1.550 20 0 BDADRP Cc1cc(C)c(C[N@H+]2C[C@@H](O)C[C@H]2C)c(C)n1 ZINC000639551053 356433812 /nfs/dbraw/zinc/43/38/12/356433812.db2.gz GHQGJWIABMFKSS-YPMHNXCESA-N 2 0 234.343 1.962 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccccc1N(C)C ZINC000422913841 192503800 /nfs/dbraw/zinc/50/38/00/192503800.db2.gz QWYRDJHMQQNDEP-NEPJUHHUSA-N 2 0 235.375 1.968 20 0 BDADRP CC[C@@H](O)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682662 356593641 /nfs/dbraw/zinc/59/36/41/356593641.db2.gz IACXLKDBVMYUHR-CQSZACIVSA-N 2 0 249.358 1.365 20 0 BDADRP CO[C@@H]1CC[N@H+](CCc2cncn2C)C[C@H]1C ZINC000639663566 356577283 /nfs/dbraw/zinc/57/72/83/356577283.db2.gz PRAIOJIRXZRCNN-DGCLKSJQSA-N 2 0 237.347 1.319 20 0 BDADRP CC(C)[C@@H](O)C(C)(C)C[NH2+][C@H](C)CCC[NH3+] ZINC000423005055 192535368 /nfs/dbraw/zinc/53/53/68/192535368.db2.gz QJXCOFDJKZIZPI-VXGBXAGGSA-N 2 0 230.396 1.747 20 0 BDADRP CC[N@H+]1[C@H](C)CN(C[C@H]2CCC[NH+]2C)C[C@@H]1C ZINC000639742418 356631681 /nfs/dbraw/zinc/63/16/81/356631681.db2.gz LVYFCKLXNOGIPK-HZSPNIEDSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)Cc1ccoc1 ZINC000423007989 192537622 /nfs/dbraw/zinc/53/76/22/192537622.db2.gz SCZIFNUHBGQEMO-GHMZBOCLSA-N 2 0 210.321 1.928 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC[C@H]1CCO[C@H](C)C1 ZINC000423036528 192548585 /nfs/dbraw/zinc/54/85/85/192548585.db2.gz UGTUCRUDNYMTQH-RVMXOQNASA-N 2 0 228.380 1.907 20 0 BDADRP CO[C@@H]1CC[C@@H]([NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000423066428 192558310 /nfs/dbraw/zinc/55/83/10/192558310.db2.gz DOQZEWSXLYRVNA-FIYWTHMPSA-N 2 0 226.364 1.661 20 0 BDADRP [NH3+]CC1CCC([NH2+]CCOC(F)(F)F)CC1 ZINC000423076375 192561556 /nfs/dbraw/zinc/56/15/56/192561556.db2.gz YXOOYYHJPJADCQ-UHFFFAOYSA-N 2 0 240.269 1.630 20 0 BDADRP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000423083211 192562541 /nfs/dbraw/zinc/56/25/41/192562541.db2.gz FOZPIPJOJVDZKT-SDDRHHMPSA-N 2 0 242.363 1.435 20 0 BDADRP Clc1ccccc1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000088287694 356657115 /nfs/dbraw/zinc/65/71/15/356657115.db2.gz ZRTAULQKENWCNE-RYUDHWBXSA-N 2 0 236.746 1.991 20 0 BDADRP Fc1ccc(CN2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000088287696 356657175 /nfs/dbraw/zinc/65/71/75/356657175.db2.gz UYDQLEJYHAWGNK-TXEJJXNPSA-N 2 0 220.291 1.477 20 0 BDADRP Cc1nc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)co1 ZINC000639755834 356659157 /nfs/dbraw/zinc/65/91/57/356659157.db2.gz OKVYGZQFMVFSIG-UHFFFAOYSA-N 2 0 249.358 1.901 20 0 BDADRP C[NH+]1CCC2(CC[N@H+](Cc3ccncc3)C2)CC1 ZINC000639758950 356670242 /nfs/dbraw/zinc/67/02/42/356670242.db2.gz YKNLTRGHCRFWCF-UHFFFAOYSA-N 2 0 245.370 1.999 20 0 BDADRP C[NH+]1CCC2(CC[N@H+](C[C@@H]3CCCO3)C2)CC1 ZINC000639760638 356675860 /nfs/dbraw/zinc/67/58/60/356675860.db2.gz YLVAWDUAUCBJDD-ZDUSSCGKSA-N 2 0 238.375 1.583 20 0 BDADRP CC(C)CCOCC[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000167791056 134154360 /nfs/dbraw/zinc/15/43/60/134154360.db2.gz VWJQNUIRWKETFM-KGLIPLIRSA-N 2 0 242.407 1.966 20 0 BDADRP CC[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623336371 356724027 /nfs/dbraw/zinc/72/40/27/356724027.db2.gz LPHPXTSIMUZOKI-GHMZBOCLSA-N 2 0 214.353 1.220 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000578185495 366369491 /nfs/dbraw/zinc/36/94/91/366369491.db2.gz MLRWTIFVQSGUDF-OUCADQQQSA-N 2 0 248.374 1.517 20 0 BDADRP CCC[C@H](O)C[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000450474830 202176855 /nfs/dbraw/zinc/17/68/55/202176855.db2.gz SPJGXERBZXFFAG-OLZOCXBDSA-N 2 0 228.380 1.421 20 0 BDADRP CCC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000450474829 202177289 /nfs/dbraw/zinc/17/72/89/202177289.db2.gz SPJGXERBZXFFAG-CHWSQXEVSA-N 2 0 228.380 1.421 20 0 BDADRP CCC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000450474831 202177838 /nfs/dbraw/zinc/17/78/38/202177838.db2.gz SPJGXERBZXFFAG-QWHCGFSZSA-N 2 0 228.380 1.421 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+]CC2COC2)CC1(C)C ZINC000623760454 356915040 /nfs/dbraw/zinc/91/50/40/356915040.db2.gz AWUQREORLWZELY-LLVKDONJSA-N 2 0 212.337 1.095 20 0 BDADRP CC(C)[C@@H]1CC[C@@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000353536561 538749460 /nfs/dbraw/zinc/74/94/60/538749460.db2.gz YDFINWMNEMECKM-STQMWFEESA-N 2 0 240.391 1.467 20 0 BDADRP C1C[C@@H]([C@H]2CCCC[NH2+]2)[C@@H](N[C@@H]2CC[NH2+]C2)C1 ZINC000423206748 192627716 /nfs/dbraw/zinc/62/77/16/192627716.db2.gz CUVQIXFCDNVPEE-RQJABVFESA-N 2 0 237.391 1.249 20 0 BDADRP CO[C@@H](C)CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623396476 357021031 /nfs/dbraw/zinc/02/10/31/357021031.db2.gz TWVNGFFVWZHKAS-NWDGAFQWSA-N 2 0 228.380 1.874 20 0 BDADRP C[C@@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)[NH+](C)C ZINC000623403136 357066728 /nfs/dbraw/zinc/06/67/28/357066728.db2.gz LBBYITURGHCWDC-RYUDHWBXSA-N 2 0 227.396 1.399 20 0 BDADRP CC(C)[C@@H](Cn1cccn1)[NH2+]CC[C@H](C)[NH3+] ZINC000423227660 192640161 /nfs/dbraw/zinc/64/01/61/192640161.db2.gz WNNHNTAUDIRZLO-NWDGAFQWSA-N 2 0 224.352 1.235 20 0 BDADRP CC[NH+]1CCC(C[NH2+]CC2(F)CC2)CC1 ZINC000389967484 357073898 /nfs/dbraw/zinc/07/38/98/357073898.db2.gz YEEKHNMBTQMNOO-UHFFFAOYSA-N 2 0 214.328 1.810 20 0 BDADRP Cc1ccc(CC[NH2+][C@H](C)CCC[NH3+])cn1 ZINC000583687667 357120121 /nfs/dbraw/zinc/12/01/21/357120121.db2.gz GSPVFSKSTMLGGW-LLVKDONJSA-N 2 0 221.348 1.650 20 0 BDADRP CC[C@@H](CCO)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000156812603 538798546 /nfs/dbraw/zinc/79/85/46/538798546.db2.gz NLHMMBXGALZRNF-YPMHNXCESA-N 2 0 228.380 1.467 20 0 BDADRP C[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])[C@@H]1CCC[NH2+]1 ZINC000423274086 192666715 /nfs/dbraw/zinc/66/67/15/192666715.db2.gz JUGYDUFAUOPDCR-RNJOBUHISA-N 2 0 225.380 1.234 20 0 BDADRP CCc1cc(C[NH2+][C@H](C)CCCC[NH3+])on1 ZINC000582719731 357370278 /nfs/dbraw/zinc/37/02/78/357370278.db2.gz FTPZPJIAIWBLJV-SNVBAGLBSA-N 2 0 225.336 1.844 20 0 BDADRP CC(C)([NH3+])C[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000423289220 192680028 /nfs/dbraw/zinc/68/00/28/192680028.db2.gz WMLPBSOKPMIHHS-YNEHKIRRSA-N 2 0 240.391 1.909 20 0 BDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)CCCC[NH3+] ZINC000582664386 357358135 /nfs/dbraw/zinc/35/81/35/357358135.db2.gz LAZJRSDPYZHWSU-LBPRGKRZSA-N 2 0 243.395 1.352 20 0 BDADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1ccc(C[NH3+])cc1 ZINC000582667556 357358777 /nfs/dbraw/zinc/35/87/77/357358777.db2.gz SRECQRRXSQDSFW-MFKMUULPSA-N 2 0 249.358 1.135 20 0 BDADRP CC(C)[C@@H]([NH2+]C[C@H](C)C[NH3+])c1cccnc1 ZINC000423299409 192688917 /nfs/dbraw/zinc/68/89/17/192688917.db2.gz QCUVLMGNILGPPV-DGCLKSJQSA-N 2 0 221.348 1.963 20 0 BDADRP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000583154256 357497757 /nfs/dbraw/zinc/49/77/57/357497757.db2.gz ZWKRXVMZIUGTHO-IRCOFANPSA-N 2 0 240.347 1.188 20 0 BDADRP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000583154258 357497772 /nfs/dbraw/zinc/49/77/72/357497772.db2.gz ZWKRXVMZIUGTHO-NNYUYHANSA-N 2 0 240.347 1.188 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1CC(C)C ZINC000396822199 357484690 /nfs/dbraw/zinc/48/46/90/357484690.db2.gz CMROZPUUGLZAST-ZIAGYGMSSA-N 2 0 242.407 1.810 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2COC(C)(C)C2)C1 ZINC000396842752 357485498 /nfs/dbraw/zinc/48/54/98/357485498.db2.gz DUNKINQLXPVKDD-NWDGAFQWSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCc2ccn(C)n2)CC[N@@H+]1C ZINC000230898249 357578208 /nfs/dbraw/zinc/57/82/08/357578208.db2.gz WKWUASWJAZLGAA-YPMHNXCESA-N 2 0 236.363 1.035 20 0 BDADRP CC[C@H](C)[C@H]([NH3+])C(=O)N(CC)CCC[NH+](C)C ZINC000230710439 357572538 /nfs/dbraw/zinc/57/25/38/357572538.db2.gz XYVVRGHMYHXDJC-RYUDHWBXSA-N 2 0 243.395 1.160 20 0 BDADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N(CC)CCC[NH+](C)C ZINC000230710434 357573181 /nfs/dbraw/zinc/57/31/81/357573181.db2.gz XYVVRGHMYHXDJC-NWDGAFQWSA-N 2 0 243.395 1.160 20 0 BDADRP CCN(CCC[NH+](CC)CC)C(=O)C(C)(C)[NH3+] ZINC000230712746 357573502 /nfs/dbraw/zinc/57/35/02/357573502.db2.gz BWFCMABGLUFWJG-UHFFFAOYSA-N 2 0 243.395 1.304 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000230489467 357526782 /nfs/dbraw/zinc/52/67/82/357526782.db2.gz GWWFJJGUSHFLBX-MGPQQGTHSA-N 2 0 242.407 1.891 20 0 BDADRP CC[C@H]([NH3+])C(=O)NCC[NH2+]C1CCCCCC1 ZINC000131946777 325192841 /nfs/dbraw/zinc/19/28/41/325192841.db2.gz WAXMIPWXQFZZDW-LBPRGKRZSA-N 2 0 241.379 1.152 20 0 BDADRP C[C@@H]1CC[C@@H](C[N@@H+]2CC[C@H](C[NH+](C)C)C2)O1 ZINC000188550373 357560080 /nfs/dbraw/zinc/56/00/80/357560080.db2.gz BMKDGMXEKBTNEG-UPJWGTAASA-N 2 0 226.364 1.437 20 0 BDADRP CC1CC([NH2+]CCCN2CC[NH+](C)CC2)C1 ZINC000231787194 357628458 /nfs/dbraw/zinc/62/84/58/357628458.db2.gz QIAWHARXNCILMI-UHFFFAOYSA-N 2 0 225.380 1.012 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](CCO)C(C)(C)C ZINC000231075119 357597136 /nfs/dbraw/zinc/59/71/36/357597136.db2.gz XGMZDUTUWUQZPT-NEPJUHHUSA-N 2 0 246.395 1.127 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CCOCC[NH+](C)C)C[C@@H]1C ZINC000231676521 357619469 /nfs/dbraw/zinc/61/94/69/357619469.db2.gz COVYQVZPPVGPAQ-HZSPNIEDSA-N 2 0 242.407 1.979 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC2=CCOCC2)C1 ZINC000397770353 357695082 /nfs/dbraw/zinc/69/50/82/357695082.db2.gz PMOLLADKDSNERR-VXGBXAGGSA-N 2 0 210.321 1.193 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](CO)C1 ZINC000191407792 357768984 /nfs/dbraw/zinc/76/89/84/357768984.db2.gz JKLIPDZKFQKLFC-ZDUSSCGKSA-N 2 0 228.380 1.423 20 0 BDADRP CCc1cnc(CNCCC[NH2+]C2CC2)s1 ZINC000234221326 357787305 /nfs/dbraw/zinc/78/73/05/357787305.db2.gz RCYKXKIXSUHGBJ-UHFFFAOYSA-N 2 0 239.388 1.937 20 0 BDADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000235294261 357852844 /nfs/dbraw/zinc/85/28/44/357852844.db2.gz VECMBENHEHKVRI-OLZOCXBDSA-N 2 0 242.407 1.979 20 0 BDADRP Cc1c[nH+]ccc1NCC[N@@H+]1CCCOCC1 ZINC000192846749 357857083 /nfs/dbraw/zinc/85/70/83/357857083.db2.gz HGXWCHJPJWYNPV-UHFFFAOYSA-N 2 0 235.331 1.524 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CC=CCC1 ZINC000234791768 357829006 /nfs/dbraw/zinc/82/90/06/357829006.db2.gz YWKDTOYBZJOHQX-OLZOCXBDSA-N 2 0 226.364 1.686 20 0 BDADRP C[C@H]1COCC[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000192604256 357845834 /nfs/dbraw/zinc/84/58/34/357845834.db2.gz JUWYQFPONZWPOL-CRWXNKLISA-N 2 0 240.391 1.874 20 0 BDADRP C[NH+](C)Cc1ccc(NC(=O)C2(C)C[NH2+]C2)cc1 ZINC000399230954 357899504 /nfs/dbraw/zinc/89/95/04/357899504.db2.gz JYFXTKWLSUQRRZ-UHFFFAOYSA-N 2 0 247.342 1.296 20 0 BDADRP CCC[N@@H+]1CC[C@@H](C[NH2+]CC2(O)CCCC2)C1 ZINC000583747934 357933380 /nfs/dbraw/zinc/93/33/80/357933380.db2.gz KEJRCTZVSXVYIF-ZDUSSCGKSA-N 2 0 240.391 1.613 20 0 BDADRP COCC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000218640152 357962652 /nfs/dbraw/zinc/96/26/52/357962652.db2.gz BMVLYLSTWRTXSL-OLZOCXBDSA-N 2 0 228.380 1.731 20 0 BDADRP CS[C@@H](C)C[NH2+]C1CCC([NH3+])CC1 ZINC000169106183 134249208 /nfs/dbraw/zinc/24/92/08/134249208.db2.gz PKQWIZKSPDFRTO-IDKOKCKLSA-N 2 0 202.367 1.597 20 0 BDADRP C[C@H](O)C[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000037687783 358091946 /nfs/dbraw/zinc/09/19/46/358091946.db2.gz NUGXNGJSFXYIAC-ZDUSSCGKSA-N 2 0 236.359 1.479 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC2(O)CCCCC2)CC[N@@H+]1C ZINC000134027684 325338452 /nfs/dbraw/zinc/33/84/52/325338452.db2.gz LKAHILGNLWQVRO-QWHCGFSZSA-N 2 0 240.391 1.754 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)C1 ZINC000583882659 358118247 /nfs/dbraw/zinc/11/82/47/358118247.db2.gz OWUONGRVVXXLFZ-AGIUHOORSA-N 3 0 225.380 1.378 20 0 BDADRP CC[C@]1(O)CCC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000640036878 358136812 /nfs/dbraw/zinc/13/68/12/358136812.db2.gz YOOIRUZQSVECBD-KGLIPLIRSA-N 2 0 240.391 1.708 20 0 BDADRP CC[C@H](C)[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000218785119 134259815 /nfs/dbraw/zinc/25/98/15/134259815.db2.gz NQRJNYVWDYPHIA-RWMBFGLXSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@@H]1CCC[C@@H](C[N@@H+]2CCCO[C@@H](C[NH3+])C2)C1 ZINC000313369738 491124153 /nfs/dbraw/zinc/12/41/53/491124153.db2.gz GICJDOSBNLVKGW-MCIONIFRSA-N 2 0 240.391 1.862 20 0 BDADRP CC(C)[NH2+]CC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000584851141 358209236 /nfs/dbraw/zinc/20/92/36/358209236.db2.gz TUBYCIIBOBGJAV-UHFFFAOYSA-N 2 0 247.342 1.269 20 0 BDADRP C[N@H+](CCN[C@H]1CCC[C@@H]([NH3+])C1)C1CCCC1 ZINC000223011874 358214040 /nfs/dbraw/zinc/21/40/40/358214040.db2.gz XDLISCMFUQDNKA-OLZOCXBDSA-N 3 0 239.407 1.720 20 0 BDADRP C[NH+](C)[C@H]1CCCN(CC[NH+]2CCCCC2)C1 ZINC000077173832 325367815 /nfs/dbraw/zinc/36/78/15/325367815.db2.gz AJRMWTWLSBQPSQ-AWEZNQCLSA-N 2 0 239.407 1.498 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@H](C)[C@H](C)CO ZINC000450736818 202252081 /nfs/dbraw/zinc/25/20/81/202252081.db2.gz GXEIUIAWIHMJPE-VXGBXAGGSA-N 2 0 216.369 1.325 20 0 BDADRP COC[C@@H](C)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000225713750 358331616 /nfs/dbraw/zinc/33/16/16/358331616.db2.gz XBBCLTDJDKWVKL-RYUDHWBXSA-N 2 0 214.353 1.330 20 0 BDADRP CCCN(CC[NH+](C)C)C(=O)[C@@](C)([NH3+])CCC ZINC000041680317 358334059 /nfs/dbraw/zinc/33/40/59/358334059.db2.gz JFMSULCPYBUTLN-ZDUSSCGKSA-N 2 0 243.395 1.304 20 0 BDADRP CC(C)(CCCO)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000227914078 358366407 /nfs/dbraw/zinc/36/64/07/358366407.db2.gz DTQGYDIJPIEVTC-RYUDHWBXSA-N 2 0 228.380 1.645 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)C(=O)NC(C)(C)C ZINC000228963933 358387233 /nfs/dbraw/zinc/38/72/33/358387233.db2.gz OYTLREYAXMDMPY-HBNTYKKESA-N 2 0 241.379 1.149 20 0 BDADRP CC[NH+]1CCC(C[NH2+]Cc2ccccn2)CC1 ZINC000044517571 358388462 /nfs/dbraw/zinc/38/84/62/358388462.db2.gz BZBBQLBPPLYSKH-UHFFFAOYSA-N 2 0 233.359 1.903 20 0 BDADRP CC[NH+]1CCC(C[NH2+]Cc2ccncc2)CC1 ZINC000044517402 358388626 /nfs/dbraw/zinc/38/86/26/358388626.db2.gz VNJOZYMHALCBJZ-UHFFFAOYSA-N 2 0 233.359 1.903 20 0 BDADRP COCC[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000045038841 358400682 /nfs/dbraw/zinc/40/06/82/358400682.db2.gz RNMSDKUJCBRMHA-NWDGAFQWSA-N 2 0 214.353 1.343 20 0 BDADRP CC[C@H](CCO)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623428299 358445340 /nfs/dbraw/zinc/44/53/40/358445340.db2.gz FVJHOTUNGVTRIF-NEPJUHHUSA-N 2 0 228.380 1.610 20 0 BDADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1ccco1 ZINC000219311965 134281321 /nfs/dbraw/zinc/28/13/21/134281321.db2.gz RMNZNDLHIVRTSD-NSHDSACASA-N 2 0 226.320 1.508 20 0 BDADRP CC[NH+]1CCC([NH2+]CC2CC[NH+](C)CC2)CC1 ZINC000044515337 358550442 /nfs/dbraw/zinc/55/04/42/358550442.db2.gz AVGBHZDUZBYWMV-UHFFFAOYSA-N 3 0 239.407 1.402 20 0 BDADRP CC[NH+]1CCC(N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000044683939 358551037 /nfs/dbraw/zinc/55/10/37/358551037.db2.gz KWNTWBGDRLZWRZ-ZDUSSCGKSA-N 2 0 237.391 1.297 20 0 BDADRP COC1CCC([NH2+][C@@H]2CCN(C3CC3)C2)CC1 ZINC000130044190 358605581 /nfs/dbraw/zinc/60/55/81/358605581.db2.gz NJIGJKBROULWAJ-MBHSVXNSSA-N 2 0 238.375 1.770 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCCC[NH+](C)C)CN1C1CC1 ZINC000130024909 358605614 /nfs/dbraw/zinc/60/56/14/358605614.db2.gz WDVATWQGLRNHJK-OLZOCXBDSA-N 3 0 239.407 1.543 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000130158252 358610223 /nfs/dbraw/zinc/61/02/23/358610223.db2.gz YSKLKVARBULHFK-RWMBFGLXSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@H](C[NH+](C)C)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130126762 358610742 /nfs/dbraw/zinc/61/07/42/358610742.db2.gz VFEZPABTLHQQFR-JHJVBQTASA-N 2 0 225.380 1.153 20 0 BDADRP CC[C@](C)(CO)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000130319961 358618767 /nfs/dbraw/zinc/61/87/67/358618767.db2.gz SQKBERFASLNFHN-CYBMUJFWSA-N 2 0 228.380 1.610 20 0 BDADRP C[C@H](Cc1ccc(O)cc1)[NH2+]CCC[NH+](C)C ZINC000130448016 358626437 /nfs/dbraw/zinc/62/64/37/358626437.db2.gz YZMDVAVBJRUPCK-GFCCVEGCSA-N 2 0 236.359 1.865 20 0 BDADRP C(C[NH2+]C[C@@H]1CCCOC1)C[NH+]1CCCC1 ZINC000049332565 358683499 /nfs/dbraw/zinc/68/34/99/358683499.db2.gz PHEAQOAJOUZCKM-ZDUSSCGKSA-N 2 0 226.364 1.489 20 0 BDADRP COc1ccc2c(c1)C[C@@H]([NH2+]CCC[NH3+])CC2 ZINC000133238033 358748502 /nfs/dbraw/zinc/74/85/02/358748502.db2.gz AYOLRKCTKRLBJR-ZDUSSCGKSA-N 2 0 234.343 1.491 20 0 BDADRP COc1ccc2c(c1)C[C@H]([NH2+]CCC[NH3+])CC2 ZINC000133237840 358748917 /nfs/dbraw/zinc/74/89/17/358748917.db2.gz AYOLRKCTKRLBJR-CYBMUJFWSA-N 2 0 234.343 1.491 20 0 BDADRP Cc1cc(CN(C)CC[C@H]([NH3+])C(C)C)no1 ZINC000133297013 358749645 /nfs/dbraw/zinc/74/96/45/358749645.db2.gz IGDQJDKKOITSDP-LBPRGKRZSA-N 2 0 225.336 1.788 20 0 BDADRP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C1CCC1 ZINC000132629064 358731023 /nfs/dbraw/zinc/73/10/23/358731023.db2.gz SXHQFQJEIYZYPC-AAEUAGOBSA-N 2 0 226.364 1.221 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCO[C@@H]2C)CC1 ZINC000134078636 358779196 /nfs/dbraw/zinc/77/91/96/358779196.db2.gz GYDLQLBTWVOPBE-DGCLKSJQSA-N 2 0 226.364 1.626 20 0 BDADRP CCC[C@@](C)(O)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000223527472 491136990 /nfs/dbraw/zinc/13/69/90/491136990.db2.gz UAAWHMNMUSWJBC-GXTWGEPZSA-N 2 0 242.407 1.857 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](CCOCCC(C)C)C1 ZINC000053034246 358805891 /nfs/dbraw/zinc/80/58/91/358805891.db2.gz OGFSEWOHIHJPEH-ZDUSSCGKSA-N 2 0 228.380 1.590 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](CCCOc2ccccc2)C1 ZINC000053035176 358806120 /nfs/dbraw/zinc/80/61/20/358806120.db2.gz SXWPHJOXMKAILV-CQSZACIVSA-N 2 0 248.370 1.997 20 0 BDADRP CC[C@@H](C)[NH2+]C[C@@H](C)N1CC[NH+](CC)CC1 ZINC000053487596 358829527 /nfs/dbraw/zinc/82/95/27/358829527.db2.gz WXWPXTSNYOTVBL-CHWSQXEVSA-N 2 0 227.396 1.401 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000578324051 366513333 /nfs/dbraw/zinc/51/33/33/366513333.db2.gz HKNCSHDTFIEIPA-WDEREUQCSA-N 2 0 200.326 1.001 20 0 BDADRP CC(C)[C@@H](CCO)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623432510 358943420 /nfs/dbraw/zinc/94/34/20/358943420.db2.gz VUACWTPHYDPQHS-CHWSQXEVSA-N 2 0 242.407 1.856 20 0 BDADRP CCCCOCC[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069626393 359030971 /nfs/dbraw/zinc/03/09/71/359030971.db2.gz UQGSBULOSACKND-CYBMUJFWSA-N 2 0 228.380 1.864 20 0 BDADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H]([NH3+])C1CC1 ZINC000423313180 192700006 /nfs/dbraw/zinc/70/00/06/192700006.db2.gz FIFFOWYVXDMVJT-CQDKDKBSSA-N 2 0 247.386 1.272 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](COC)C2CC2)C1 ZINC000246445603 359090160 /nfs/dbraw/zinc/09/01/60/359090160.db2.gz OEWDKMXAAWOSJK-WCQYABFASA-N 2 0 226.364 1.343 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1nccn1C ZINC000070445352 359055924 /nfs/dbraw/zinc/05/59/24/359055924.db2.gz MGSVVHKLFMHTKW-NSHDSACASA-N 2 0 236.363 1.413 20 0 BDADRP COC[C@@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246962585 359177409 /nfs/dbraw/zinc/17/74/09/359177409.db2.gz BBHBRXFIWVQHJE-OLZOCXBDSA-N 2 0 226.364 1.439 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H]2CCOC2)C1 ZINC000247186367 359200518 /nfs/dbraw/zinc/20/05/18/359200518.db2.gz VMTVFTDPBUCSTM-MJBXVCDLSA-N 2 0 240.391 1.733 20 0 BDADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](COC)C2CC2)C1 ZINC000247230816 359203653 /nfs/dbraw/zinc/20/36/53/359203653.db2.gz YGXYBQFRVCBFAV-GXTWGEPZSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccnn1C ZINC000423361948 192731578 /nfs/dbraw/zinc/73/15/78/192731578.db2.gz HFMFGMGRVUXFPR-DCAQKATOSA-N 2 0 222.336 1.341 20 0 BDADRP CC(C)[C@@H](CO)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623441341 359333838 /nfs/dbraw/zinc/33/38/38/359333838.db2.gz NVWSJZTVCBUNHM-VXGBXAGGSA-N 2 0 228.380 1.466 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCCO1 ZINC000423473787 192785785 /nfs/dbraw/zinc/78/57/85/192785785.db2.gz ODPNEMYEHREZNM-RNJOBUHISA-N 2 0 226.364 1.661 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)[C@@H](C)O1 ZINC000423474843 192786693 /nfs/dbraw/zinc/78/66/93/192786693.db2.gz HSIUHSIHLBLBQG-NDBYEHHHSA-N 2 0 226.364 1.674 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)[C@H](C)O1 ZINC000423479880 192788623 /nfs/dbraw/zinc/78/86/23/192788623.db2.gz VKROMCQZDFXYFW-MLGHIDQZSA-N 2 0 226.364 1.659 20 0 BDADRP CCCC[NH+]1CCC([NH2+]C[C@@H](O)CC)CC1 ZINC000580435388 359545873 /nfs/dbraw/zinc/54/58/73/359545873.db2.gz XJBOMCOLFCZMMU-ZDUSSCGKSA-N 2 0 228.380 1.611 20 0 BDADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)C1CCOCC1 ZINC000423539746 192808386 /nfs/dbraw/zinc/80/83/86/192808386.db2.gz PGELMEBJXRZILT-LBPRGKRZSA-N 2 0 238.375 1.701 20 0 BDADRP CC[NH2+]Cc1ccccc1NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424063370 192858735 /nfs/dbraw/zinc/85/87/35/192858735.db2.gz XCIRQEKPRVHRCT-MNOVXSKESA-N 2 0 233.315 1.082 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)CN1CCC(C)CC1 ZINC000309056627 491143531 /nfs/dbraw/zinc/14/35/31/491143531.db2.gz RPMVRMDWHLHDDC-ZDUSSCGKSA-N 2 0 228.380 1.419 20 0 BDADRP C[C@@H]([NH3+])[C@H](C)c1nc(C2([NH3+])CCCC2)no1 ZINC000578531698 366591693 /nfs/dbraw/zinc/59/16/93/366591693.db2.gz NCFQWAOQGCEUER-JGVFFNPUSA-N 2 0 224.308 1.248 20 0 BDADRP C[NH2+]C[C@@H]1CCCN1Cc1cccc(O)c1 ZINC000087178353 359900324 /nfs/dbraw/zinc/90/03/24/359900324.db2.gz MAWNDQTYFYIJOJ-LBPRGKRZSA-N 2 0 220.316 1.576 20 0 BDADRP F[C@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000451200753 202380592 /nfs/dbraw/zinc/38/05/92/202380592.db2.gz TVMYFZDCXAMQKC-LBPRGKRZSA-N 2 0 214.328 1.906 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CC(C1CC1)C1CC1 ZINC000578617135 366607347 /nfs/dbraw/zinc/60/73/47/366607347.db2.gz YZTMPQHAEKPTMC-STQMWFEESA-N 2 0 208.349 1.892 20 0 BDADRP COC[C@H](C)C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000578726408 366631973 /nfs/dbraw/zinc/63/19/73/366631973.db2.gz KJHLZXXHRMRELD-UTUOFQBUSA-N 2 0 214.353 1.247 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCCn1ccnc1 ZINC000089140797 359992944 /nfs/dbraw/zinc/99/29/44/359992944.db2.gz UFVNGOHDBHLISQ-CHWSQXEVSA-N 2 0 236.363 1.380 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1NCCC[NH+]1CCCC1 ZINC000089140139 359993161 /nfs/dbraw/zinc/99/31/61/359993161.db2.gz RLMMKGXGAVDKTE-UONOGXRCSA-N 2 0 239.407 1.579 20 0 BDADRP CCC[NH+]1CCC(N[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089147961 359993836 /nfs/dbraw/zinc/99/38/36/359993836.db2.gz GJSFYLZRJJHUBJ-OCCSQVGLSA-N 2 0 239.407 1.578 20 0 BDADRP CC(C)([NH3+])C[NH2+]CC1(CCO)CCCC1 ZINC000578867289 366661782 /nfs/dbraw/zinc/66/17/82/366661782.db2.gz MHZJINZEKSPAIU-UHFFFAOYSA-N 2 0 214.353 1.256 20 0 BDADRP CCc1cnc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)o1 ZINC000578872858 366663631 /nfs/dbraw/zinc/66/36/31/366663631.db2.gz CMJUFGDFYHVSNB-NSHDSACASA-N 2 0 237.347 1.798 20 0 BDADRP Cc1n[nH]cc1CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000092043680 360147761 /nfs/dbraw/zinc/14/77/61/360147761.db2.gz ICNPOURVXWHZOJ-OCCSQVGLSA-N 2 0 248.374 1.634 20 0 BDADRP CC(C)[C@@H](CO)[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000093516884 360255325 /nfs/dbraw/zinc/25/53/25/360255325.db2.gz JZCFXZIJIQESCD-MGPQQGTHSA-N 2 0 242.407 1.904 20 0 BDADRP [NH3+]CCCOC1CC[NH+](Cc2ccccn2)CC1 ZINC000094070527 360294068 /nfs/dbraw/zinc/29/40/68/360294068.db2.gz YJVNMGKZLXFATN-UHFFFAOYSA-N 2 0 249.358 1.411 20 0 BDADRP C[C@H]([NH2+]Cc1cscn1)C1CC[NH+](C)CC1 ZINC000082626004 491150032 /nfs/dbraw/zinc/15/00/32/491150032.db2.gz DAXZAONNIYFKIL-JTQLQIEISA-N 2 0 239.388 1.963 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000631199379 360764908 /nfs/dbraw/zinc/76/49/08/360764908.db2.gz PUZFNLWDLAMSAG-CHWSQXEVSA-N 2 0 242.407 2.000 20 0 BDADRP c1cc(CCC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cs1 ZINC000309562458 491151680 /nfs/dbraw/zinc/15/16/80/491151680.db2.gz PFYXQCYYPLJURB-STQMWFEESA-N 2 0 236.384 1.832 20 0 BDADRP CC(C)(C)[NH2+]CCN(CC[NH3+])Cc1ccccc1 ZINC000414676571 200757829 /nfs/dbraw/zinc/75/78/29/200757829.db2.gz VIFYUBIKKDPJMP-UHFFFAOYSA-N 2 0 249.402 1.835 20 0 BDADRP Cc1ccc(O)c(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])n1 ZINC000414800092 200764665 /nfs/dbraw/zinc/76/46/65/200764665.db2.gz KPNXGDOVNWGSBF-NWDGAFQWSA-N 2 0 249.358 1.703 20 0 BDADRP C[C@H]1CC([NH2+]CC2([NH3+])CCOCC2)C[C@H](C)C1 ZINC000629389216 361035626 /nfs/dbraw/zinc/03/56/26/361035626.db2.gz ZNZARBMTQULXNO-VXGBXAGGSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@H]1CCC[C@H]([NH2+]CC2([NH3+])CCOCC2)C1 ZINC000629387037 361038690 /nfs/dbraw/zinc/03/86/90/361038690.db2.gz CXKLRUFLUSMHGL-RYUDHWBXSA-N 2 0 226.364 1.663 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CC2([NH3+])CCOCC2)[C@@H](C)C1 ZINC000629388057 361040186 /nfs/dbraw/zinc/04/01/86/361040186.db2.gz MJUQEZNHBVWSDL-AGIUHOORSA-N 2 0 240.391 1.909 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H]1CCCCC1(C)C ZINC000629392500 361041133 /nfs/dbraw/zinc/04/11/33/361041133.db2.gz PPYGCRAYZVDJSW-LBPRGKRZSA-N 2 0 228.380 1.781 20 0 BDADRP C[NH2+]CCOCC[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000629392021 361041330 /nfs/dbraw/zinc/04/13/30/361041330.db2.gz HQWJCXCNHFJNGU-RYUDHWBXSA-N 2 0 228.380 1.637 20 0 BDADRP Cc1cc(C)cc(C[NH2+]CCOCCC[NH3+])c1 ZINC000629398972 361046692 /nfs/dbraw/zinc/04/66/92/361046692.db2.gz KNLFFNXLIXUGTQ-UHFFFAOYSA-N 2 0 236.359 1.758 20 0 BDADRP [NH3+]CCCOCC[NH2+]C/C=C\c1ccccc1 ZINC000629398218 361049164 /nfs/dbraw/zinc/04/91/64/361049164.db2.gz PHEMAIFBBMQDIM-YWEYNIOJSA-N 2 0 234.343 1.655 20 0 BDADRP CCC(CC)C[NH2+]CCOCCC[NH3+] ZINC000629398143 361049215 /nfs/dbraw/zinc/04/92/15/361049215.db2.gz NFQIMXSTRLQZND-UHFFFAOYSA-N 2 0 202.342 1.378 20 0 BDADRP C[C@H](Cc1ccsc1)[NH2+]CCOCCC[NH3+] ZINC000629398740 361049259 /nfs/dbraw/zinc/04/92/59/361049259.db2.gz HDVLFULQIKQUAU-LLVKDONJSA-N 2 0 242.388 1.634 20 0 BDADRP Cc1cccc(C)c1C[NH2+]CCOCCC[NH3+] ZINC000629398538 361049278 /nfs/dbraw/zinc/04/92/78/361049278.db2.gz FADXBXKSXIBMFY-UHFFFAOYSA-N 2 0 236.359 1.758 20 0 BDADRP Nc1ncccc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000629520024 361119982 /nfs/dbraw/zinc/11/99/82/361119982.db2.gz SITUCHVSGSTIJY-DRZSPHRISA-N 2 0 246.358 1.223 20 0 BDADRP C1=CCC(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000629515344 361113227 /nfs/dbraw/zinc/11/32/27/361113227.db2.gz OTWQCZDOLXPVKD-MELADBBJSA-N 2 0 220.360 1.930 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCN1CC(F)F ZINC000629520230 361116202 /nfs/dbraw/zinc/11/62/02/361116202.db2.gz UZIYOFAVCNQRQZ-MXWKQRLJSA-N 2 0 247.333 1.185 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000629527575 361130939 /nfs/dbraw/zinc/13/09/39/361130939.db2.gz ZEFNIHDHCLILKF-FVCCEPFGSA-N 2 0 226.364 1.532 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccccc1C ZINC000629529305 361138185 /nfs/dbraw/zinc/13/81/85/361138185.db2.gz YRACVWBDEVFEEF-ZDUSSCGKSA-N 2 0 236.359 1.882 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000629530420 361144614 /nfs/dbraw/zinc/14/46/14/361144614.db2.gz GOWYBDMBBPNPOF-CHWSQXEVSA-N 2 0 246.370 1.730 20 0 BDADRP C[NH2+]CCOCC[NH2+]C1CCC(COC)CC1 ZINC000629530713 361145799 /nfs/dbraw/zinc/14/57/99/361145799.db2.gz OEVNSOSMKZRAAE-UHFFFAOYSA-N 2 0 244.379 1.017 20 0 BDADRP Cc1ncccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000629532091 361152114 /nfs/dbraw/zinc/15/21/14/361152114.db2.gz LLJABDTUAKWRPJ-QLFBSQMISA-N 2 0 245.370 1.868 20 0 BDADRP Cc1ccc(C(C)(C)C[NH2+][C@H](C)C2C[NH2+]C2)nc1 ZINC000629523304 361124173 /nfs/dbraw/zinc/12/41/73/361124173.db2.gz LEQMIVDTEVBEJR-GFCCVEGCSA-N 2 0 247.386 1.865 20 0 BDADRP CC[C@H](C)[C@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629523232 361124413 /nfs/dbraw/zinc/12/44/13/361124413.db2.gz CBUPHIWQHYTWFR-QWRGUYRKSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccccc1 ZINC000629524662 361125604 /nfs/dbraw/zinc/12/56/04/361125604.db2.gz SOSBLWNKEBFDGL-GFCCVEGCSA-N 2 0 234.343 1.845 20 0 BDADRP CC[C@@H]1CCC[C@@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629524776 361125622 /nfs/dbraw/zinc/12/56/22/361125622.db2.gz PGRJWZGDGOBNKA-NEPJUHHUSA-N 2 0 226.364 1.663 20 0 BDADRP CCC(CC)[C@@H](CNC1=[NH+]CCCN1)[NH+](C)C ZINC000066245169 361170411 /nfs/dbraw/zinc/17/04/11/361170411.db2.gz IAXIHGSAOLYLJD-GFCCVEGCSA-N 2 0 240.395 1.292 20 0 BDADRP CCSCC[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000158578358 361204771 /nfs/dbraw/zinc/20/47/71/361204771.db2.gz AKWSTVFHFIXRPW-ZJUUUORDSA-N 2 0 202.367 1.409 20 0 BDADRP CCSCC[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000158578959 361205688 /nfs/dbraw/zinc/20/56/88/361205688.db2.gz NEFYHUHYLDXJSM-MNOVXSKESA-N 2 0 216.394 1.799 20 0 BDADRP CCSCC[NH+]1CCC(C[NH2+]C)CC1 ZINC000158573521 361203698 /nfs/dbraw/zinc/20/36/98/361203698.db2.gz DZNVXXZSCHLVAC-UHFFFAOYSA-N 2 0 216.394 1.671 20 0 BDADRP CC[C@H](C(=O)N[C@@H](C)C[C@H](C)[NH3+])[NH+](CC)CC ZINC000578993305 366689884 /nfs/dbraw/zinc/68/98/84/366689884.db2.gz SJRCCECWIUGCET-SDDRHHMPSA-N 2 0 243.395 1.349 20 0 BDADRP C[C@@H](CC[NH3+])NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000579006276 366694561 /nfs/dbraw/zinc/69/45/61/366694561.db2.gz XVQVKRMBOQMIDB-NWDGAFQWSA-N 2 0 241.379 1.104 20 0 BDADRP CCC[N@H+](CC)C[C@@H](C)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000579005278 366694723 /nfs/dbraw/zinc/69/47/23/366694723.db2.gz UGURLOVPAYJQMJ-MGPQQGTHSA-N 2 0 241.423 1.966 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CC1(F)F ZINC000622044080 370675874 /nfs/dbraw/zinc/67/58/74/370675874.db2.gz UIFJDDFKJMTOGK-LPEHRKFASA-N 2 0 218.291 1.749 20 0 BDADRP C[C@@H]([NH2+]CC[C@H](C)[NH3+])[C@H]1CCCOC1 ZINC000622045218 370678568 /nfs/dbraw/zinc/67/85/68/370678568.db2.gz HTEDGYFNRIRTRE-AXFHLTTASA-N 2 0 200.326 1.128 20 0 BDADRP C[C@H]1C[C@@H](O)CC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000429170451 201075536 /nfs/dbraw/zinc/07/55/36/201075536.db2.gz KTPCIJGBPHZVSH-KBPBESRZSA-N 2 0 240.391 1.708 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CC2=CCCOC2)C1 ZINC000379738566 361381131 /nfs/dbraw/zinc/38/11/31/361381131.db2.gz WILARBMIIIEFTC-NWDGAFQWSA-N 2 0 210.321 1.193 20 0 BDADRP C/C=C/C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000629537073 361399860 /nfs/dbraw/zinc/39/98/60/361399860.db2.gz JOWDTNRQAFLIMI-YGAZSBKKSA-N 2 0 224.348 1.309 20 0 BDADRP [NH3+]CCCOCC[NH2+]C(C1CC1)C1CC1 ZINC000629536631 361400178 /nfs/dbraw/zinc/40/01/78/361400178.db2.gz HDEDRRQCZAWRGU-UHFFFAOYSA-N 2 0 212.337 1.130 20 0 BDADRP [NH3+]C1(C[NH2+][C@@H]2CCCOCC2)CCCCC1 ZINC000334818967 181332826 /nfs/dbraw/zinc/33/28/26/181332826.db2.gz PQFQNKBQMZLBSW-GFCCVEGCSA-N 2 0 226.364 1.807 20 0 BDADRP C[C@H]([NH2+]CCOCCC[NH3+])c1ccsc1 ZINC000629538041 361402196 /nfs/dbraw/zinc/40/21/96/361402196.db2.gz LVOBXWHGYZMCHY-JTQLQIEISA-N 2 0 228.361 1.764 20 0 BDADRP C[C@@H](CCC1CC1)[NH2+]CCOCCC[NH3+] ZINC000629538781 361403426 /nfs/dbraw/zinc/40/34/26/361403426.db2.gz NXVCJCGYVIEDCP-NSHDSACASA-N 2 0 214.353 1.520 20 0 BDADRP Cn1nccc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000429980408 201136994 /nfs/dbraw/zinc/13/69/94/201136994.db2.gz QZMFGVYOVVMJKH-UHFFFAOYSA-N 2 0 236.363 1.383 20 0 BDADRP C[C@@H]([NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1)C1C[NH2+]C1 ZINC000629540522 361414077 /nfs/dbraw/zinc/41/40/77/361414077.db2.gz VEWPITPHBLMRBA-HNCHTBHHSA-N 2 0 208.349 1.620 20 0 BDADRP C[C@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)c1c[nH+]ccc1N ZINC000629539595 361407294 /nfs/dbraw/zinc/40/72/94/361407294.db2.gz NAVRVXKDFOKGFI-OUAUKWLOSA-N 2 0 234.347 1.285 20 0 BDADRP C[C@@H](N[C@H]1CC[C@@H](C)[NH2+]C1)[C@@H]1CCCC[NH2+]1 ZINC000629540180 361407608 /nfs/dbraw/zinc/40/76/08/361407608.db2.gz NUSKBDNUIIQICJ-NDBYEHHHSA-N 2 0 225.380 1.247 20 0 BDADRP CC[C@@H]([NH2+]CCOCCC[NH3+])c1ccncc1 ZINC000629535619 361409692 /nfs/dbraw/zinc/40/96/92/361409692.db2.gz CYVLCDJIWLSLII-CYBMUJFWSA-N 2 0 237.347 1.488 20 0 BDADRP CC[C@@H]1CC[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629535494 361410080 /nfs/dbraw/zinc/41/00/80/361410080.db2.gz CLAACAPZBBQVAY-MNOVXSKESA-N 2 0 200.326 1.130 20 0 BDADRP [NH3+]CCCOCC[NH2+][C@@H]1CCC12CCC2 ZINC000629535753 361410109 /nfs/dbraw/zinc/41/01/09/361410109.db2.gz DFOPVBIGNOCZAN-LLVKDONJSA-N 2 0 212.337 1.274 20 0 BDADRP Cc1cnc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)n1C ZINC000430173102 201148779 /nfs/dbraw/zinc/14/87/79/201148779.db2.gz YHEONOIOKFRCQA-CQSZACIVSA-N 2 0 248.374 1.256 20 0 BDADRP Nc1ncccc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000629545973 361426537 /nfs/dbraw/zinc/42/65/37/361426537.db2.gz DVNOOANFWYCDEG-UHFFFAOYSA-N 2 0 234.347 1.225 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000629547836 361431712 /nfs/dbraw/zinc/43/17/12/361431712.db2.gz VCDHKECESMWSKS-SQNXGDPESA-N 2 0 208.349 1.905 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCCC12CCOCC2 ZINC000629548365 361433280 /nfs/dbraw/zinc/43/32/80/361433280.db2.gz ZDTNDYDYPBYUBA-XQQFMLRXSA-N 2 0 238.375 1.676 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCN(C)CC(F)F ZINC000629554694 361435833 /nfs/dbraw/zinc/43/58/33/361435833.db2.gz NQBRBZNQWWWJBE-GHMZBOCLSA-N 2 0 249.349 1.161 20 0 BDADRP C1C[C@@H](N[C@@H]2CC[NH2+]C2)[C@@H]([C@H]2CCCC[NH2+]2)C1 ZINC000629553870 361440436 /nfs/dbraw/zinc/44/04/36/361440436.db2.gz CUVQIXFCDNVPEE-AAVRWANBSA-N 2 0 237.391 1.249 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000629550057 361443309 /nfs/dbraw/zinc/44/33/09/361443309.db2.gz XIDUDZQARNAHAI-XPXLGCRWSA-N 2 0 212.337 1.269 20 0 BDADRP CN(CC[NH2+][C@H]1CCCCC[C@@H]1[NH3+])CC(F)F ZINC000629556412 361449927 /nfs/dbraw/zinc/44/99/27/361449927.db2.gz PBMSGHQDXZATIX-QWRGUYRKSA-N 2 0 249.349 1.433 20 0 BDADRP C[C@@H]1CC[C@H](N[C@@H]2CCCC[C@H]2C[NH3+])C[NH2+]1 ZINC000629542023 361418124 /nfs/dbraw/zinc/41/81/24/361418124.db2.gz WXXWDCOZMQMHMN-MROQNXINSA-N 2 0 225.380 1.234 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)C[C@@H]1CCCC[C@H]1C ZINC000629572329 361463982 /nfs/dbraw/zinc/46/39/82/361463982.db2.gz QLRWXVJIQGVWIL-KGLIPLIRSA-N 2 0 242.407 1.981 20 0 BDADRP CCOCCC[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584721 361473316 /nfs/dbraw/zinc/47/33/16/361473316.db2.gz DSJJLLPZZFSBBW-BETUJISGSA-N 2 0 226.364 1.344 20 0 BDADRP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CC1CC=CC1)C2 ZINC000629596380 361483229 /nfs/dbraw/zinc/48/32/29/361483229.db2.gz XVMOUVOYJWADHL-OKILXGFUSA-N 2 0 220.360 1.884 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)Cc1sccc1C ZINC000629654491 361558791 /nfs/dbraw/zinc/55/87/91/361558791.db2.gz XZZVVKUQPUVEHN-UHFFFAOYSA-N 2 0 242.388 1.724 20 0 BDADRP Cn1ccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)c1 ZINC000629655169 361560452 /nfs/dbraw/zinc/56/04/52/361560452.db2.gz SXYRWEDIYSNUFR-GFCCVEGCSA-N 2 0 207.321 1.196 20 0 BDADRP Cn1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000629655213 361560553 /nfs/dbraw/zinc/56/05/53/361560553.db2.gz UFNHXWLXMNVURE-CABCVRRESA-N 2 0 247.386 1.847 20 0 BDADRP C[C@H]1[C@@H]([NH3+])CCN1CC1=Cc2ccccc2OC1 ZINC000629648215 361540819 /nfs/dbraw/zinc/54/08/19/361540819.db2.gz IEYMJWAWBVWMOZ-FZMZJTMJSA-N 2 0 244.338 1.884 20 0 BDADRP Cn1ccc(CN2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000629649787 361546899 /nfs/dbraw/zinc/54/68/99/361546899.db2.gz GLXHJSRDRMHSFL-CHWSQXEVSA-N 2 0 219.332 1.338 20 0 BDADRP COC1(C[NH2+]CC23CC(C2)C[NH2+]3)CCCC1 ZINC000629650384 361547424 /nfs/dbraw/zinc/54/74/24/361547424.db2.gz SVOPYFORASXIJM-UHFFFAOYSA-N 2 0 224.348 1.287 20 0 BDADRP Cn1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000629652004 361550018 /nfs/dbraw/zinc/55/00/18/361550018.db2.gz SGJBDUDVSWXPIY-PBWFPOADSA-N 2 0 233.359 1.740 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000629653775 361554909 /nfs/dbraw/zinc/55/49/09/361554909.db2.gz NMALCXCSMVPVQG-MROQNXINSA-N 2 0 225.380 1.247 20 0 BDADRP Cc1cc(F)ccc1C[N@H+](C)CCOCC[NH3+] ZINC000629662957 361595533 /nfs/dbraw/zinc/59/55/33/361595533.db2.gz IPRRMYKTPGOGGK-UHFFFAOYSA-N 2 0 240.322 1.541 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCO2)[C@H](C)C1 ZINC000153082520 201218616 /nfs/dbraw/zinc/21/86/16/201218616.db2.gz VEKWWMHJTALQDO-AGIUHOORSA-N 2 0 226.364 1.485 20 0 BDADRP COC[C@@H](Cc1ccccc1)[N@H+](C)CCC[NH3+] ZINC000435389439 201266338 /nfs/dbraw/zinc/26/63/38/201266338.db2.gz MGEWHLCPLQNTJU-CQSZACIVSA-N 2 0 236.359 1.525 20 0 BDADRP [NH3+]C[C@@H](CO)Cc1cccc(C2=CC[NH2+]CC2)c1 ZINC000629723834 361666161 /nfs/dbraw/zinc/66/61/61/361666161.db2.gz RSWYKISIALLIKE-ZDUSSCGKSA-N 2 0 246.354 1.173 20 0 BDADRP CCOCCC[N@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000435630670 201279984 /nfs/dbraw/zinc/27/99/84/201279984.db2.gz YIFFAKYXBAOWIR-CYBMUJFWSA-N 2 0 228.380 1.877 20 0 BDADRP CCCC[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000154558470 201283397 /nfs/dbraw/zinc/28/33/97/201283397.db2.gz ANAPOPCTAAQWFF-ZYHUDNBSSA-N 2 0 241.379 1.103 20 0 BDADRP CC(C)[C@@H](O)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000133770244 491160391 /nfs/dbraw/zinc/16/03/91/491160391.db2.gz AJMPKCWDPUTKLR-YPMHNXCESA-N 2 0 228.380 1.323 20 0 BDADRP CC(C)[C@@H](C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000154942086 201300632 /nfs/dbraw/zinc/30/06/32/201300632.db2.gz GSKRGEDMAZRSQY-CHWSQXEVSA-N 2 0 227.396 1.256 20 0 BDADRP CS[C@H](C)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000161933130 201304555 /nfs/dbraw/zinc/30/45/55/201304555.db2.gz JPOITCUOWQMBAR-AXFHLTTASA-N 2 0 216.394 1.810 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000435884983 201295331 /nfs/dbraw/zinc/29/53/31/201295331.db2.gz ZHHAMYADXGYTDM-LBPRGKRZSA-N 2 0 236.363 1.209 20 0 BDADRP C[NH2+]CCCN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000435884770 201295376 /nfs/dbraw/zinc/29/53/76/201295376.db2.gz WSZGLYHUIPBLDX-CQSZACIVSA-N 2 0 239.407 1.546 20 0 BDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NCCC[NH3+])C1 ZINC000437795882 201373567 /nfs/dbraw/zinc/37/35/67/201373567.db2.gz HHWPYKFTMNOIPF-UKRRQHHQSA-N 2 0 247.386 1.760 20 0 BDADRP C[C@@H]1CCCCN1CC[NH2+]CC[C@H]1CCOC1 ZINC000438086031 201386417 /nfs/dbraw/zinc/38/64/17/201386417.db2.gz REHQRLSOJZORCI-KGLIPLIRSA-N 2 0 240.391 1.877 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](CC[C@H]2CCOC2)C1 ZINC000438090053 201388590 /nfs/dbraw/zinc/38/85/90/201388590.db2.gz ACUGZUOHKYGAMX-UONOGXRCSA-N 2 0 240.391 1.687 20 0 BDADRP [NH3+]CC1(c2cccc(Cl)c2)CC[NH2+]CC1 ZINC000071531993 181362894 /nfs/dbraw/zinc/36/28/94/181362894.db2.gz AKEZDWQOUGCQSD-UHFFFAOYSA-N 2 0 224.735 1.920 20 0 BDADRP [NH3+]CC1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000359227452 181365631 /nfs/dbraw/zinc/36/56/31/181365631.db2.gz WJGSFBHRTVWJOX-UHFFFAOYSA-N 3 0 225.380 1.047 20 0 BDADRP CC[NH2+]CCCN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000573315694 364795352 /nfs/dbraw/zinc/79/53/52/364795352.db2.gz SGHSHNBSTSLWTF-NWDGAFQWSA-N 2 0 213.369 1.093 20 0 BDADRP Nc1ccc2c(c1)CC[C@H]2[NH2+]CC1(C[NH3+])CC1 ZINC000573339160 364804661 /nfs/dbraw/zinc/80/46/61/364804661.db2.gz GOYGDKGGAAKCFM-CYBMUJFWSA-N 2 0 231.343 1.585 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000573505316 364851557 /nfs/dbraw/zinc/85/15/57/364851557.db2.gz DYHJSEKTZJQUFY-NNYUYHANSA-N 2 0 212.337 1.413 20 0 BDADRP [NH3+]CC1CC[NH+](C[C@H]2CCCC[C@H]2O)CC1 ZINC000328198116 364817045 /nfs/dbraw/zinc/81/70/45/364817045.db2.gz RGDTZKNYUKMSPH-CHWSQXEVSA-N 2 0 226.364 1.208 20 0 BDADRP C[N@H+](C[C@@H]1CCCC[C@@H]1O)CC(C)(C)C[NH3+] ZINC000328191097 364817260 /nfs/dbraw/zinc/81/72/60/364817260.db2.gz PKWHZRJNKJCTCF-RYUDHWBXSA-N 2 0 228.380 1.454 20 0 BDADRP [NH3+]C1(c2noc([C@@H]3C[C@@]34CC[NH2+]C4)n2)CCCC1 ZINC000573681880 364891065 /nfs/dbraw/zinc/89/10/65/364891065.db2.gz AKQPXXOXIJJBLQ-JOYOIKCWSA-N 2 0 248.330 1.265 20 0 BDADRP [NH3+]CCC1CC[NH+](CC2CCOCC2)CC1 ZINC000052173165 181371602 /nfs/dbraw/zinc/37/16/02/181371602.db2.gz RANTWKMALTZKGJ-UHFFFAOYSA-N 2 0 226.364 1.474 20 0 BDADRP [NH3+]CCCCCCC(=O)NCC[NH+]1CCCC1 ZINC000035663346 181374951 /nfs/dbraw/zinc/37/49/51/181374951.db2.gz SQWRZHXYOTVJJA-UHFFFAOYSA-N 2 0 241.379 1.108 20 0 BDADRP [NH3+]CCCCN1CC[NH+](CC2CCCC2)CC1 ZINC000048732567 181376822 /nfs/dbraw/zinc/37/68/22/181376822.db2.gz WRJCELHWVMLVMF-UHFFFAOYSA-N 2 0 239.407 1.533 20 0 BDADRP [NH3+]CCCC[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000041652841 181377195 /nfs/dbraw/zinc/37/71/95/181377195.db2.gz JUXIQRISKGZEIA-UHFFFAOYSA-N 2 0 244.342 1.905 20 0 BDADRP [NH3+]CCC[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000036128721 181380703 /nfs/dbraw/zinc/38/07/03/181380703.db2.gz NSFZAYGAVQVCNV-LBPRGKRZSA-N 2 0 205.305 1.567 20 0 BDADRP CC[C@H](Cn1cncn1)[NH2+]CCC[NH2+]C(C)C ZINC000574268979 365023066 /nfs/dbraw/zinc/02/30/66/365023066.db2.gz QRUNJVLQGFZXTR-GFCCVEGCSA-N 2 0 239.367 1.034 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CCc2ccccc2C1 ZINC000032013764 181399168 /nfs/dbraw/zinc/39/91/68/181399168.db2.gz YYOBBUVEYJOYTF-UHFFFAOYSA-N 2 0 220.316 1.020 20 0 BDADRP CC(C)[NH+](CCC[NH2+]CC1(O)CCC1)C(C)C ZINC000574750300 365133550 /nfs/dbraw/zinc/13/35/50/365133550.db2.gz NELPKXMXNYIGCH-UHFFFAOYSA-N 2 0 242.407 2.000 20 0 BDADRP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)CC)CC1 ZINC000574512009 365077127 /nfs/dbraw/zinc/07/71/27/365077127.db2.gz GNOKGMLMLUEOKG-ZDUSSCGKSA-N 2 0 228.380 1.469 20 0 BDADRP Nc1ncc(C[NH2+]Cc2ccc(C[NH3+])cc2)s1 ZINC000574878059 365166164 /nfs/dbraw/zinc/16/61/64/365166164.db2.gz OGCNPDRMABCDDF-UHFFFAOYSA-N 2 0 248.355 1.304 20 0 BDADRP Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442924009 193004936 /nfs/dbraw/zinc/00/49/36/193004936.db2.gz XDQMIFJUBUGORY-GFCCVEGCSA-N 2 0 236.363 1.587 20 0 BDADRP CC[NH+](CC)CCCN(C)CCn1cccn1 ZINC000171940818 365260298 /nfs/dbraw/zinc/26/02/98/365260298.db2.gz ANDSYALWWGBHOZ-UHFFFAOYSA-N 2 0 238.379 1.547 20 0 BDADRP COC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCCO1 ZINC000576052485 365465993 /nfs/dbraw/zinc/46/59/93/365465993.db2.gz MDOXNXJTVIXZCC-RNJOBUHISA-N 2 0 242.363 1.040 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000579595307 366898157 /nfs/dbraw/zinc/89/81/57/366898157.db2.gz TZDYOZCRFOUSCF-BJDJZHNGSA-N 2 0 241.379 1.136 20 0 BDADRP Cc1cc(N)cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000576121878 365494865 /nfs/dbraw/zinc/49/48/65/365494865.db2.gz PGMRAFLDPGPYFV-GXTWGEPZSA-N 2 0 233.359 1.937 20 0 BDADRP CCN1CCC[C@H]([NH2+][C@H]2CCN(C)C[C@H]2C)C1 ZINC000360242559 366918041 /nfs/dbraw/zinc/91/80/41/366918041.db2.gz PIEQDAZPTBSEOY-RDBSUJKOSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@H]([NH2+]CCCCO)C1CC[NH+](C)CC1 ZINC000235513731 541470992 /nfs/dbraw/zinc/47/09/92/541470992.db2.gz DGFHTCVKGRUJEA-NSHDSACASA-N 2 0 214.353 1.079 20 0 BDADRP CC[N@H+](C)C[C@@H]1CCN(Cc2cncnc2)C1 ZINC000180041547 541506559 /nfs/dbraw/zinc/50/65/59/541506559.db2.gz GNOSSLQZIRIIBE-LBPRGKRZSA-N 2 0 234.347 1.250 20 0 BDADRP CC[N@H+](C)C[C@H]1CCN(Cc2cncnc2)C1 ZINC000180041562 541507255 /nfs/dbraw/zinc/50/72/55/541507255.db2.gz GNOSSLQZIRIIBE-GFCCVEGCSA-N 2 0 234.347 1.250 20 0 BDADRP CC(C)[C@H](C(=O)NCC[NH2+]C(C)(C)C)[C@H](C)[NH3+] ZINC000579709579 366986656 /nfs/dbraw/zinc/98/66/56/366986656.db2.gz WZCNRHBITOUCOT-QWRGUYRKSA-N 2 0 243.395 1.110 20 0 BDADRP C[C@H]([NH2+]CCCO)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185709755 367140176 /nfs/dbraw/zinc/14/01/76/367140176.db2.gz BEJYEARRYAQAPZ-QWHCGFSZSA-N 2 0 240.391 1.611 20 0 BDADRP [NH3+]Cc1ccccc1OCCC1CC[NH2+]CC1 ZINC000579942892 367093770 /nfs/dbraw/zinc/09/37/70/367093770.db2.gz QAAKQWKGJWGQRV-UHFFFAOYSA-N 2 0 234.343 1.914 20 0 BDADRP FC1(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)CC1 ZINC000580833237 367181558 /nfs/dbraw/zinc/18/15/58/367181558.db2.gz COURIVGDZZHFIJ-GFCCVEGCSA-N 2 0 226.339 1.953 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000580963527 367221288 /nfs/dbraw/zinc/22/12/88/367221288.db2.gz SHLDGJQHHFFLNE-IJLUTSLNSA-N 3 0 213.369 1.363 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000580893481 367199779 /nfs/dbraw/zinc/19/97/79/367199779.db2.gz SQPNDKWHRZAEBU-MQLXINIDSA-N 3 0 237.391 1.234 20 0 BDADRP [NH3+]CCCCC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000580941774 367212056 /nfs/dbraw/zinc/21/20/56/367212056.db2.gz RAVJROXSQPJJCV-GFCCVEGCSA-N 2 0 241.379 1.139 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1C ZINC000381053201 367344064 /nfs/dbraw/zinc/34/40/64/367344064.db2.gz IMBHQSGNHAZSJF-XQQFMLRXSA-N 2 0 228.380 1.467 20 0 BDADRP CC[N@H+](C)C[C@H](O)CN1CCS[C@H](C)[C@@H]1C ZINC000381070298 367346493 /nfs/dbraw/zinc/34/64/93/367346493.db2.gz OBAYFRCOXKHGJN-TUAOUCFPSA-N 2 0 246.420 1.125 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000581185263 367286701 /nfs/dbraw/zinc/28/67/01/367286701.db2.gz NMOUJQFOKYAYEP-ZIAGYGMSSA-N 3 0 237.391 1.546 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H](F)C2)C1 ZINC000581260170 367312621 /nfs/dbraw/zinc/31/26/21/367312621.db2.gz FESPGYYVXVXORF-ZRUFSTJUSA-N 2 0 200.301 1.737 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000581297844 367326084 /nfs/dbraw/zinc/32/60/84/367326084.db2.gz AGLAYEQRPCKOKP-GFCCVEGCSA-N 2 0 244.342 1.557 20 0 BDADRP CN(C)c1cccc(C[N@H+](C)CCC[NH3+])c1 ZINC000382077760 367484218 /nfs/dbraw/zinc/48/42/18/367484218.db2.gz LOSDRPFSDLSWHW-UHFFFAOYSA-N 2 0 221.348 1.533 20 0 BDADRP CC(C)OCCC[N@H+](C)C1CC([NH3+])C1 ZINC000382885806 367565108 /nfs/dbraw/zinc/56/51/08/367565108.db2.gz TXVJJSOKBQAFMR-UHFFFAOYSA-N 2 0 200.326 1.223 20 0 BDADRP CC[C@@H](COC)[NH2+]CCC[NH2+]C1CC1 ZINC000382547905 367535550 /nfs/dbraw/zinc/53/55/50/367535550.db2.gz ATWRJOCMDBPDBO-JTQLQIEISA-N 2 0 200.326 1.143 20 0 BDADRP C[C@H]([NH2+]CCC[NH2+]C1CC1)[C@@H]1CCCO1 ZINC000382548459 367537424 /nfs/dbraw/zinc/53/74/24/367537424.db2.gz BJCGSNZKFXMSBH-JQWIXIFHSA-N 2 0 212.337 1.286 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccccc2)CCN1CCC[NH3+] ZINC000382659668 367551588 /nfs/dbraw/zinc/55/15/88/367551588.db2.gz FEVWLZFFFQMOGT-AWEZNQCLSA-N 2 0 247.386 1.542 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1NCC1([NH+](C)C)CCC1 ZINC000382842651 367563891 /nfs/dbraw/zinc/56/38/91/367563891.db2.gz WUNCLMALACLXMJ-STQMWFEESA-N 2 0 239.407 1.401 20 0 BDADRP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2C[C@@H]2[NH3+])cc1 ZINC000581545838 367573244 /nfs/dbraw/zinc/57/32/44/367573244.db2.gz FLVZJXDYJQMOHR-NEPJUHHUSA-N 2 0 233.315 1.034 20 0 BDADRP OC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000383464529 367624913 /nfs/dbraw/zinc/62/49/13/367624913.db2.gz NKKYIRFFOLFRKW-BFHYXJOUSA-N 2 0 240.391 1.517 20 0 BDADRP C[C@@H](O)[C@H](C)[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000581603417 367627596 /nfs/dbraw/zinc/62/75/96/367627596.db2.gz WHAJSVSLGXFFGU-ZFDZMSFRSA-N 2 0 228.380 1.466 20 0 BDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)C2([NH3+])CCC2)cc1 ZINC000581606411 367630119 /nfs/dbraw/zinc/63/01/19/367630119.db2.gz JECNJLZQHRUKJC-SNVBAGLBSA-N 2 0 247.342 1.204 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC[C@@H](C)NC1)C1CC[NH+](C)CC1 ZINC000399134455 367646145 /nfs/dbraw/zinc/64/61/45/367646145.db2.gz PTEXZKSQKCBLTE-BZPMIXESSA-N 2 0 239.407 1.447 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@@H](F)C1 ZINC000581608540 367632041 /nfs/dbraw/zinc/63/20/41/367632041.db2.gz TWXIBQOEABUBCI-YTWAJWBKSA-N 2 0 200.301 1.737 20 0 BDADRP OCCC1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000383811659 367654295 /nfs/dbraw/zinc/65/42/95/367654295.db2.gz AQMZCZBTDUHTOC-ZDUSSCGKSA-N 2 0 226.364 1.080 20 0 BDADRP CC(C)[NH2+]CCC[NH2+][C@H]1CCO[C@@H]1C ZINC000581661122 367660606 /nfs/dbraw/zinc/66/06/06/367660606.db2.gz NPBJOTWRYYVTCS-MNOVXSKESA-N 2 0 200.326 1.142 20 0 BDADRP CC[C@@H]1[C@H](C)CC[N@@H+]1C[C@H](O)CN(C)CC ZINC000384040955 367670018 /nfs/dbraw/zinc/67/00/18/367670018.db2.gz UPKZBWHLPOTIBU-JHJVBQTASA-N 2 0 228.380 1.419 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000384791797 367732257 /nfs/dbraw/zinc/73/22/57/367732257.db2.gz RECUXFNXVLIYCM-CHWFTXMASA-N 2 0 200.326 1.269 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)[C@H](C)O1 ZINC000384942447 367761650 /nfs/dbraw/zinc/76/16/50/367761650.db2.gz QWDAXPRWJVOJOS-GRYCIOLGSA-N 2 0 228.380 1.730 20 0 BDADRP C[C@H](CC(C)(C)O)[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000385248985 367813355 /nfs/dbraw/zinc/81/33/55/367813355.db2.gz WRVUTMPYGWPXAN-FDYHWXHSSA-N 2 0 242.407 1.854 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCSCC[C@@H]1C ZINC000385409386 367826493 /nfs/dbraw/zinc/82/64/93/367826493.db2.gz SWXFYMYJPRANSO-NWDGAFQWSA-N 2 0 246.420 1.126 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H](CO)C1)[C@H]1CCCC[NH2+]1 ZINC000385956254 367889043 /nfs/dbraw/zinc/88/90/43/367889043.db2.gz DMIXETXWUMXWIN-REWJHTLYSA-N 2 0 240.391 1.658 20 0 BDADRP C[C@H]([NH2+]CCCOCC1CC1)[C@@H]1CCCC[NH2+]1 ZINC000385955517 367889651 /nfs/dbraw/zinc/88/96/51/367889651.db2.gz DLAJTZJKBFFQAK-JSGCOSHPSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H](NC[C@H]1CCC[N@H+](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000385983827 367893268 /nfs/dbraw/zinc/89/32/68/367893268.db2.gz IFGYKDRFNMDHLQ-MJBXVCDLSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](CO)C1CCCC1 ZINC000386021970 367898896 /nfs/dbraw/zinc/89/88/96/367898896.db2.gz OVBAJZIRHHOHIX-AAEUAGOBSA-N 2 0 228.380 1.645 20 0 BDADRP C[C@H]([NH2+]CCC(C)(C)CO)[C@H]1CCCC[NH2+]1 ZINC000386025812 367899309 /nfs/dbraw/zinc/89/93/09/367899309.db2.gz PQXKGOKQOMLSHG-NWDGAFQWSA-N 2 0 228.380 1.515 20 0 BDADRP COCC1(C[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)CC[NH2+]CC1 ZINC000386283100 367945101 /nfs/dbraw/zinc/94/51/01/367945101.db2.gz RKIPRHYLKBZKHC-FRRDWIJNSA-N 2 0 240.391 1.637 20 0 BDADRP COCCOCCC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386377279 367957964 /nfs/dbraw/zinc/95/79/64/367957964.db2.gz CIFHZTJDKKLNLX-CHWSQXEVSA-N 2 0 244.379 1.160 20 0 BDADRP COCCOCCC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386377282 367958795 /nfs/dbraw/zinc/95/87/95/367958795.db2.gz CIFHZTJDKKLNLX-QWHCGFSZSA-N 2 0 244.379 1.160 20 0 BDADRP COCC1(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)CCC1 ZINC000386376464 367958826 /nfs/dbraw/zinc/95/88/26/367958826.db2.gz CGELLNHAKPLXEV-OLZOCXBDSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H](NC[C@H](O)CC(C)(C)C)[C@H]1CCCC[NH2+]1 ZINC000386419449 367966951 /nfs/dbraw/zinc/96/69/51/367966951.db2.gz JZFONUKJWVAJPA-YNEHKIRRSA-N 2 0 242.407 1.904 20 0 BDADRP CC(C)OCCC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386618572 368003006 /nfs/dbraw/zinc/00/30/06/368003006.db2.gz XTXGILUEPMOFFA-QWHCGFSZSA-N 2 0 228.380 1.922 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC[C@@H](O)C1)[C@H]1CCCC[NH2+]1 ZINC000386446013 367973689 /nfs/dbraw/zinc/97/36/89/367973689.db2.gz NJMXNJXKCAJSPR-UMSGYPCISA-N 2 0 226.364 1.268 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386451799 367976316 /nfs/dbraw/zinc/97/63/16/367976316.db2.gz OBZUTOYEMXCVDE-KGLIPLIRSA-N 2 0 241.423 1.837 20 0 BDADRP CC[NH+](CC)CCCN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386473282 367979188 /nfs/dbraw/zinc/97/91/88/367979188.db2.gz QUYONLNSMMMUEM-KGLIPLIRSA-N 2 0 241.423 1.839 20 0 BDADRP C[C@@H]([NH2+]CC(C)(C)CCCO)[C@@H]1CCCC[NH2+]1 ZINC000386518710 367985073 /nfs/dbraw/zinc/98/50/73/367985073.db2.gz YJKHEHMIZJQKHD-OLZOCXBDSA-N 2 0 242.407 1.905 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CC12CCCC2 ZINC000386983626 368040804 /nfs/dbraw/zinc/04/08/04/368040804.db2.gz COCLWWKPLMRJPL-NEPJUHHUSA-N 2 0 226.364 1.663 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000566482930 326056178 /nfs/dbraw/zinc/05/61/78/326056178.db2.gz QQGDRLLIFSBVKR-WRWGMCAJSA-N 2 0 211.353 1.116 20 0 BDADRP C[C@@H]1CCC[N@H+](CCN[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000566689803 326075408 /nfs/dbraw/zinc/07/54/08/326075408.db2.gz VKEDBPZXVWWSSW-HZSPNIEDSA-N 3 0 239.407 1.578 20 0 BDADRP C[C@H](O)[C@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000567161374 326126371 /nfs/dbraw/zinc/12/63/71/326126371.db2.gz XFCZOGKSEBVODO-QWRGUYRKSA-N 2 0 226.364 1.220 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(C)COC2)[C@H](C)C1 ZINC000164387915 203032180 /nfs/dbraw/zinc/03/21/80/203032180.db2.gz AWDSUEGGDNNFMY-VXGBXAGGSA-N 2 0 226.364 1.343 20 0 BDADRP C[C@H](CC[NH+](C)C)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000086403680 368880073 /nfs/dbraw/zinc/88/00/73/368880073.db2.gz FZHHCERJGNSKHU-WOPDTQHZSA-N 2 0 213.369 1.186 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCC(F)(F)F)C1 ZINC000086404105 368880175 /nfs/dbraw/zinc/88/01/75/368880175.db2.gz IGXXCVZVMMIRID-YUMQZZPRSA-N 2 0 210.243 1.798 20 0 BDADRP Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000084221389 368850867 /nfs/dbraw/zinc/85/08/67/368850867.db2.gz CYTHITXDDPYERM-WCQYABFASA-N 2 0 219.332 1.607 20 0 BDADRP Cc1cccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000089146010 368936919 /nfs/dbraw/zinc/93/69/19/368936919.db2.gz ATDCZOSMPKOIAN-OCCSQVGLSA-N 2 0 233.359 1.997 20 0 BDADRP C[N@H+](CC[C@H]1CCC[NH+]1C)CC1CCOCC1 ZINC000155772908 326211513 /nfs/dbraw/zinc/21/15/13/326211513.db2.gz LJCAHKNRQWJQSB-CQSZACIVSA-N 2 0 240.391 1.829 20 0 BDADRP c1cn(CCC[N@@H+]2C[C@@H]3C[C@H]2CS3)cn1 ZINC000459794145 203369760 /nfs/dbraw/zinc/36/97/60/203369760.db2.gz MGAACABKHOMSAA-QWRGUYRKSA-N 2 0 223.345 1.463 20 0 BDADRP Cc1cc(C)c(CN2C[C@@H]([NH3+])C[C@@H]2C)c(C)n1 ZINC000631863404 369613594 /nfs/dbraw/zinc/61/35/94/369613594.db2.gz ZWIMIJUPLUBSOJ-AAEUAGOBSA-N 2 0 233.359 1.928 20 0 BDADRP Cc1nn(C)cc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252851222 370137069 /nfs/dbraw/zinc/13/70/69/370137069.db2.gz HZOTVWLTQGAIMA-FPMFFAJLSA-N 2 0 248.374 1.288 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CC[C@H](C)[C@@H](CO)C1 ZINC000621372118 370309992 /nfs/dbraw/zinc/30/99/92/370309992.db2.gz PMPRXSGNPJCRQE-UONOGXRCSA-N 2 0 242.407 1.669 20 0 BDADRP CCn1cc(CC[N@H+](C)C2CC[NH2+]CC2)cn1 ZINC000621774335 370520159 /nfs/dbraw/zinc/52/01/59/370520159.db2.gz QZQJXSLBLGAOKC-UHFFFAOYSA-N 2 0 236.363 1.129 20 0 BDADRP CCn1cc(CC[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cn1 ZINC000621775569 370522766 /nfs/dbraw/zinc/52/27/66/370522766.db2.gz SAPPDESVNQCIMK-AAEUAGOBSA-N 2 0 236.363 1.115 20 0 BDADRP Cc1cc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)ccn1 ZINC000621775794 370522820 /nfs/dbraw/zinc/52/28/20/370522820.db2.gz YYVXXWMFBUNHSI-AAEUAGOBSA-N 2 0 219.332 1.559 20 0 BDADRP COCCCCC[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621783169 370532395 /nfs/dbraw/zinc/53/23/95/370532395.db2.gz YBOIERITGPXYNS-OLZOCXBDSA-N 2 0 226.364 1.616 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc[nH]c2=O)CN1C1CC1 ZINC000623777950 371088850 /nfs/dbraw/zinc/08/88/50/371088850.db2.gz YGAMIDPUOIYWGR-PWSUYJOCSA-N 2 0 247.342 1.502 20 0 BDADRP Cc1ccccc1C[NH2+]CCN1CC[C@H](O)C1 ZINC000623835989 371119307 /nfs/dbraw/zinc/11/93/07/371119307.db2.gz GTKASKRQCIRMKB-AWEZNQCLSA-N 2 0 234.343 1.151 20 0 BDADRP O[C@H]1CCN(CC[NH2+][C@@H]2CC[C@H]2C2CCC2)C1 ZINC000624337383 371486372 /nfs/dbraw/zinc/48/63/72/371486372.db2.gz JGEXREUWFVTGER-MELADBBJSA-N 2 0 238.375 1.221 20 0 BDADRP O[C@H]1CCN(CC[NH2+][C@H]2CC[C@H]2C2CCC2)C1 ZINC000624337382 371486417 /nfs/dbraw/zinc/48/64/17/371486417.db2.gz JGEXREUWFVTGER-IHRRRGAJSA-N 2 0 238.375 1.221 20 0 BDADRP CC[NH+]1CCC([NH2+]CCN(C)CC(F)F)CC1 ZINC000624322143 371481734 /nfs/dbraw/zinc/48/17/34/371481734.db2.gz GAEOMVFBRFUQBV-UHFFFAOYSA-N 2 0 249.349 1.257 20 0 BDADRP C[C@@H]1OCC[C@H]1C[NH+]1CCC(C)([NH3+])CC1 ZINC000631824449 372588638 /nfs/dbraw/zinc/58/86/38/372588638.db2.gz GUCANGHXRSVJOQ-QWRGUYRKSA-N 2 0 212.337 1.225 20 0 BDADRP C[C@H]1OCC[C@H]1C[N@H+](C)C1CC[NH2+]CC1 ZINC000631821113 372594895 /nfs/dbraw/zinc/59/48/95/372594895.db2.gz PGQVHRMIVMVSBS-MNOVXSKESA-N 2 0 212.337 1.095 20 0 BDADRP Cc1nccnc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000631826330 372606304 /nfs/dbraw/zinc/60/63/04/372606304.db2.gz LCLVUTWEUISLCU-BETUJISGSA-N 2 0 246.358 1.216 20 0 BDADRP C[C@H]1OCC[C@H]1C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000631829655 372610370 /nfs/dbraw/zinc/61/03/70/372610370.db2.gz WZYAIWYTKQNGMI-MQYQWHSLSA-N 2 0 240.391 1.861 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[NH+]1CCC(CC[NH3+])CC1 ZINC000631829771 372613013 /nfs/dbraw/zinc/61/30/13/372613013.db2.gz ZGBJEOROSSRNDD-WCQYABFASA-N 2 0 226.364 1.472 20 0 BDADRP CC[NH+](CC)CCCN1CCCCC[C@H]([NH3+])C1 ZINC000631835830 372623421 /nfs/dbraw/zinc/62/34/21/372623421.db2.gz YSMRILAMTVWUMX-AWEZNQCLSA-N 2 0 241.423 1.922 20 0 BDADRP C[C@H]1C[N@H+](Cc2cccc(F)c2)C[C@H]1C[NH3+] ZINC000631839067 372634563 /nfs/dbraw/zinc/63/45/63/372634563.db2.gz ZKLOXPIAMNSWPL-CMPLNLGQSA-N 2 0 222.307 1.852 20 0 BDADRP C[C@@H]1C[N@H+](CCc2cccnc2)C[C@H]1C[NH3+] ZINC000631841071 372638388 /nfs/dbraw/zinc/63/83/88/372638388.db2.gz XUAIROFBYQHYAW-DGCLKSJQSA-N 2 0 219.332 1.151 20 0 BDADRP CC(C)[C@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CCN1C ZINC000631880028 372678481 /nfs/dbraw/zinc/67/84/81/372678481.db2.gz LOTPHAWJRQFNAB-UONOGXRCSA-N 2 0 239.407 1.258 20 0 BDADRP CCOCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631883897 372679766 /nfs/dbraw/zinc/67/97/66/372679766.db2.gz DAWMGYCYFGWGLD-NEPJUHHUSA-N 2 0 212.337 1.097 20 0 BDADRP C([C@H]1CCCCO1)[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631890094 372686943 /nfs/dbraw/zinc/68/69/43/372686943.db2.gz MCWNEHULHGQGNZ-MCIONIFRSA-N 2 0 238.375 1.629 20 0 BDADRP COCCC[C@@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000178414165 205636196 /nfs/dbraw/zinc/63/61/96/205636196.db2.gz NOHSXVDIMFKZHO-CYBMUJFWSA-N 2 0 228.380 1.877 20 0 BDADRP CC[NH+]1CCC([NH2+]CCCOC(F)F)CC1 ZINC000194024580 206000811 /nfs/dbraw/zinc/00/08/11/206000811.db2.gz ZWHZKSLVHCMGFK-UHFFFAOYSA-N 2 0 236.306 1.690 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CCCCO)[C@H](C)C1 ZINC000194220137 206004799 /nfs/dbraw/zinc/00/47/99/206004799.db2.gz BOWWEKUGLHGLBL-NEPJUHHUSA-N 2 0 214.353 1.079 20 0 BDADRP C[C@@H]([NH3+])C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000442661379 206081937 /nfs/dbraw/zinc/08/19/37/206081937.db2.gz NIHLNRKFCZKJRV-YPMHNXCESA-N 2 0 226.364 1.757 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)[C@]1(CC)CC[NH2+]C1 ZINC000368566764 168963228 /nfs/dbraw/zinc/96/32/28/168963228.db2.gz OSRSVOJNOSQWEH-WCQYABFASA-N 2 0 241.379 1.010 20 0 BDADRP OCCCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000363413932 183051123 /nfs/dbraw/zinc/05/11/23/183051123.db2.gz ITQXSVLRZJEIJO-RDBSUJKOSA-N 2 0 238.375 1.175 20 0 BDADRP OCC[C@@H]1CCC[C@H]1[NH2+]Cc1cnc[nH]1 ZINC000286188226 183094999 /nfs/dbraw/zinc/09/49/99/183094999.db2.gz PPRNXNPTQFOGNI-GXSJLCMTSA-N 2 0 209.293 1.050 20 0 BDADRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000357358901 169069176 /nfs/dbraw/zinc/06/91/76/169069176.db2.gz XWFYZNMHZQCHGC-GFCCVEGCSA-N 2 0 241.379 1.058 20 0 BDADRP CCC[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000360621796 169088422 /nfs/dbraw/zinc/08/84/22/169088422.db2.gz RDTVIDSUUHNCMW-AWEZNQCLSA-N 2 0 239.407 1.497 20 0 BDADRP CCC[N@H+](CC)CCNC(=O)[C@@](C)([NH3+])CCC ZINC000226407788 169120366 /nfs/dbraw/zinc/12/03/66/169120366.db2.gz PMRCSVCVMDDBMB-ZDUSSCGKSA-N 2 0 243.395 1.352 20 0 BDADRP CCC[N@H+](C[C@H]1CCOC1)C1CC[NH2+]CC1 ZINC000041046051 169173841 /nfs/dbraw/zinc/17/38/41/169173841.db2.gz ZTEWQNBYKMRJCL-GFCCVEGCSA-N 2 0 226.364 1.487 20 0 BDADRP CCC[NH+]1CCC([N@H+](C)CCCOC)CC1 ZINC000111240701 169186921 /nfs/dbraw/zinc/18/69/21/169186921.db2.gz IOVLCZYJYLNFQZ-UHFFFAOYSA-N 2 0 228.380 1.829 20 0 BDADRP CCC[NH+]1CCC(N(C)C(=O)[C@H]([NH3+])CC)CC1 ZINC000038100781 169187021 /nfs/dbraw/zinc/18/70/21/169187021.db2.gz KHEAJRFUUMAUPJ-GFCCVEGCSA-N 2 0 241.379 1.057 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H]2CCO[C@@H]2C)CC1 ZINC000119911284 169190101 /nfs/dbraw/zinc/19/01/01/169190101.db2.gz LVSWQVNTDGQRBU-DGCLKSJQSA-N 2 0 226.364 1.628 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+]C2CC(OC)C2)C1 ZINC000309983329 169206247 /nfs/dbraw/zinc/20/62/47/169206247.db2.gz XFXGAFFTVMEECU-PNESKVBLSA-N 2 0 226.364 1.485 20 0 BDADRP c1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)on1 ZINC000309512052 183346738 /nfs/dbraw/zinc/34/67/38/183346738.db2.gz PTUIBDIPNUPTEB-PHIMTYICSA-N 2 0 221.304 1.106 20 0 BDADRP CCCNC(=[NH2+])NC[C@H](C)C[NH+]1CCCCC1 ZINC000052042979 169211064 /nfs/dbraw/zinc/21/10/64/169211064.db2.gz LKJNPRYHGUJVSE-LBPRGKRZSA-N 2 0 240.395 1.632 20 0 BDADRP CCC[C@@H](C)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000336691990 169359235 /nfs/dbraw/zinc/35/92/35/169359235.db2.gz HJFZVSAQRLUAMC-ZIAGYGMSSA-N 2 0 239.407 1.402 20 0 BDADRP CCC[C@@H]([NH3+])C(=O)NCC[NH+]1CCCCCC1 ZINC000040768291 169388942 /nfs/dbraw/zinc/38/89/42/169388942.db2.gz WZKLYQMTKWHZLV-GFCCVEGCSA-N 2 0 241.379 1.106 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000223490110 134340195 /nfs/dbraw/zinc/34/01/95/134340195.db2.gz FHFOIWJLHVUVFY-AVGNSLFASA-N 2 0 228.380 1.610 20 0 BDADRP C[NH2+]CCC[N@H+](C)C[C@H]1CCSC1 ZINC000224620243 134349323 /nfs/dbraw/zinc/34/93/23/134349323.db2.gz GTUGJRDUHMXNIE-SNVBAGLBSA-N 2 0 202.367 1.281 20 0 BDADRP COC[C@@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)C(C)C ZINC000368103633 383875680 /nfs/dbraw/zinc/87/56/80/383875680.db2.gz XPSASXIQFVEYLX-ZWNOBZJWSA-N 2 0 237.347 1.528 20 0 BDADRP COC[C@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)C(C)C ZINC000368103632 383876723 /nfs/dbraw/zinc/87/67/23/383876723.db2.gz XPSASXIQFVEYLX-MFKMUULPSA-N 2 0 237.347 1.528 20 0 BDADRP [NH3+]Cc1cc(-c2nc([C@H]3CCC[NH2+]3)no2)co1 ZINC000647148086 383892556 /nfs/dbraw/zinc/89/25/56/383892556.db2.gz GGEOPPFPOWHTEP-SECBINFHSA-N 2 0 234.259 1.213 20 0 BDADRP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000643542537 383978126 /nfs/dbraw/zinc/97/81/26/383978126.db2.gz VBQZDQYLXZRHEP-UPJWGTAASA-N 2 0 226.364 1.533 20 0 BDADRP C[N@H+]1CC=C(C[NH2+]C[C@@H]2CCC=CO2)CC1 ZINC000278467010 384002334 /nfs/dbraw/zinc/00/23/34/384002334.db2.gz GJLXZVWYOKWLOH-ZDUSSCGKSA-N 2 0 222.332 1.531 20 0 BDADRP CC[C@]1(C)CC[N@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000518547198 383996274 /nfs/dbraw/zinc/99/62/74/383996274.db2.gz YDTZXNKERHOTQT-VXGBXAGGSA-N 2 0 214.353 1.079 20 0 BDADRP CC[C@H]1C[N@H+](C)CCN1CCC[NH+]1CCCC1 ZINC000564880800 383936343 /nfs/dbraw/zinc/93/63/43/383936343.db2.gz FFGJPEDYPRYTGH-AWEZNQCLSA-N 2 0 239.407 1.498 20 0 BDADRP Cc1n[nH]cc1[C@H](C)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000643541901 383940201 /nfs/dbraw/zinc/94/02/01/383940201.db2.gz PCDNVGVRGBBJGV-CMPLNLGQSA-N 2 0 236.363 1.901 20 0 BDADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC[C@@H]1CCCO1 ZINC000227736465 134385919 /nfs/dbraw/zinc/38/59/19/134385919.db2.gz PSOQIHLSVWJVDI-STQMWFEESA-N 2 0 228.380 1.861 20 0 BDADRP COC[C@H]1CCC[N@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000300056562 383973640 /nfs/dbraw/zinc/97/36/40/383973640.db2.gz LSUVDGXHOYKLNN-QWHCGFSZSA-N 2 0 228.380 1.718 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@H]1N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546759 384017982 /nfs/dbraw/zinc/01/79/82/384017982.db2.gz UNQZLSVPRYLOEF-JHJVBQTASA-N 2 0 237.391 1.201 20 0 BDADRP C[C@@H](CCCCO)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000643545297 384012645 /nfs/dbraw/zinc/01/26/45/384012645.db2.gz XCRRHTDUSAMKKE-RYUDHWBXSA-N 2 0 214.353 1.269 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CC=CCC1 ZINC000234805974 134389075 /nfs/dbraw/zinc/38/90/75/134389075.db2.gz XSKRQHWZZUJDAI-RYUDHWBXSA-N 2 0 212.337 1.439 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)[C@@H](C)O1 ZINC000643548386 384035370 /nfs/dbraw/zinc/03/53/70/384035370.db2.gz OPNGYRFNHITFTH-LPWJVIDDSA-N 2 0 238.375 1.817 20 0 BDADRP CC(C)n1cncc1C[NH2+][C@@H](C)C(=O)N(C)C ZINC000090207805 384036010 /nfs/dbraw/zinc/03/60/10/384036010.db2.gz RBDWFIUDRQHFFZ-JTQLQIEISA-N 2 0 238.335 1.030 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)CO1 ZINC000647217436 384039229 /nfs/dbraw/zinc/03/92/29/384039229.db2.gz QLBQEZWKHXXDGL-UPJWGTAASA-N 2 0 226.364 1.485 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](c2nc([C@H]3CCC[NH2+]3)no2)C1 ZINC000647156681 384041827 /nfs/dbraw/zinc/04/18/27/384041827.db2.gz LIOWJQQQHPRQAK-IVZWLZJFSA-N 2 0 236.319 1.479 20 0 BDADRP CCOC[C@@H]1CCCC[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000313216731 384055372 /nfs/dbraw/zinc/05/53/72/384055372.db2.gz RSTMMMSNHRYIDJ-UONOGXRCSA-N 2 0 240.391 1.877 20 0 BDADRP CC[C@@H](C[N@@H+]1CCC[C@H](n2ccnc2)C1)OC ZINC000642685204 384061070 /nfs/dbraw/zinc/06/10/70/384061070.db2.gz IZDQFPLGAPNTTR-STQMWFEESA-N 2 0 237.347 1.945 20 0 BDADRP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CCc1cncn1C ZINC000530460168 384078184 /nfs/dbraw/zinc/07/81/84/384078184.db2.gz PFGLNGXLROXQRL-FZMZJTMJSA-N 3 0 248.374 1.035 20 0 BDADRP CC(C)[NH2+]CCCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000569471709 384097364 /nfs/dbraw/zinc/09/73/64/384097364.db2.gz KTHWDAYZHLPJQW-VXGBXAGGSA-N 2 0 213.369 1.234 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H]2CN(C)C[C@H]2C)CC1 ZINC000569483581 384109378 /nfs/dbraw/zinc/10/93/78/384109378.db2.gz HXRCRZKSRFGDOS-OCCSQVGLSA-N 3 0 239.407 1.258 20 0 BDADRP C[NH+]1CCC(N[C@H]2COc3ccccc32)CC1 ZINC000070529012 384116569 /nfs/dbraw/zinc/11/65/69/384116569.db2.gz IEPKZMKRFBCACC-ZDUSSCGKSA-N 2 0 232.327 1.804 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CO1 ZINC000401846952 384122428 /nfs/dbraw/zinc/12/24/28/384122428.db2.gz UUOLOCOEYLMSOH-HNMFLPSRSA-N 2 0 224.348 1.379 20 0 BDADRP C[NH+](C)C1CCC([NH2+]C2CCOCC2)CC1 ZINC000336568760 384149343 /nfs/dbraw/zinc/14/93/43/384149343.db2.gz GPTACMDTCWNBPR-UHFFFAOYSA-N 2 0 226.364 1.628 20 0 BDADRP Cn1cncc1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000336323363 384206843 /nfs/dbraw/zinc/20/68/43/384206843.db2.gz LVCSUPKPHVSVCF-AAEUAGOBSA-N 2 0 235.331 1.421 20 0 BDADRP Cc1nccn1CC[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000133062224 384270716 /nfs/dbraw/zinc/27/07/16/384270716.db2.gz WSMYOCSSXLVNCM-JQWIXIFHSA-N 2 0 223.320 1.206 20 0 BDADRP C[C@H](C[NH3+])N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000237622294 384318949 /nfs/dbraw/zinc/31/89/49/384318949.db2.gz RUBNPIMIOAYDKZ-NEPJUHHUSA-N 2 0 241.379 1.057 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)CO1 ZINC000401929011 384296736 /nfs/dbraw/zinc/29/67/36/384296736.db2.gz UKEQGLKUWSKKOH-CMPLNLGQSA-N 2 0 210.321 1.015 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CCOC1CCCC1 ZINC000308801029 384300362 /nfs/dbraw/zinc/30/03/62/384300362.db2.gz DQYNSVGKYIPYTG-NSHDSACASA-N 2 0 214.353 1.663 20 0 BDADRP C[C@@H]1[NH2+]CCN(Cc2cnc3ccccn23)[C@H]1C ZINC000647509523 384341279 /nfs/dbraw/zinc/34/12/79/384341279.db2.gz LCGKRLYIILNLMH-RYUDHWBXSA-N 2 0 244.342 1.517 20 0 BDADRP Cc1ncsc1CC[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000405445097 384341966 /nfs/dbraw/zinc/34/19/66/384341966.db2.gz FLPXLTOBSMARBR-QWRGUYRKSA-N 2 0 239.388 1.709 20 0 BDADRP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cn1 ZINC000228860053 384346008 /nfs/dbraw/zinc/34/60/08/384346008.db2.gz QYMYTJKSHAVKLF-RRFJBIMHSA-N 2 0 245.370 1.949 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCC(C)CC2)CO1 ZINC000401973425 384357226 /nfs/dbraw/zinc/35/72/26/384357226.db2.gz PUGDZXPGJXFDDG-KGLIPLIRSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCSC1 ZINC000300230570 384332696 /nfs/dbraw/zinc/33/26/96/384332696.db2.gz BHQMOEHPLKPLMC-UTUOFQBUSA-N 2 0 228.405 1.669 20 0 BDADRP Cc1n[nH]c(C)c1C[NH2+]CCCC[NH+](C)C ZINC000045598250 384400939 /nfs/dbraw/zinc/40/09/39/384400939.db2.gz FKSXXPWUXDSJBJ-UHFFFAOYSA-N 2 0 224.352 1.458 20 0 BDADRP CC(C)(O)C(C)(C)C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000393598567 384402737 /nfs/dbraw/zinc/40/27/37/384402737.db2.gz MCPIGECDUNHEIU-MNOVXSKESA-N 2 0 228.380 1.501 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccs1 ZINC000084218140 384376771 /nfs/dbraw/zinc/37/67/71/384376771.db2.gz VCYVXUYKJXNTMY-ONGXEEELSA-N 2 0 210.346 1.965 20 0 BDADRP CCCCOCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000084220383 384377828 /nfs/dbraw/zinc/37/78/28/384377828.db2.gz PPACKNTYMHRLSH-VXGBXAGGSA-N 2 0 214.353 1.520 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cn[nH]c1 ZINC000305972631 384450985 /nfs/dbraw/zinc/45/09/85/384450985.db2.gz QCROLWFFRFJQQL-MNOVXSKESA-N 2 0 234.347 1.545 20 0 BDADRP [NH3+]Cc1ccc(C(=O)NCCC[NH2+]C2CC2)cc1 ZINC000565000125 384434885 /nfs/dbraw/zinc/43/48/85/384434885.db2.gz CQHTYTKAURTUJG-UHFFFAOYSA-N 2 0 247.342 1.017 20 0 BDADRP Cc1nccn1CCC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000568162146 384442184 /nfs/dbraw/zinc/44/21/84/384442184.db2.gz PBRBKWNMMBKRFE-WCQYABFASA-N 2 0 236.363 1.393 20 0 BDADRP COCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150777998 384507906 /nfs/dbraw/zinc/50/79/06/384507906.db2.gz CGGDGJUSAWVWNQ-GFCCVEGCSA-N 2 0 212.337 1.051 20 0 BDADRP C[NH+](C)CCCNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000019439788 384521256 /nfs/dbraw/zinc/52/12/56/384521256.db2.gz HLJUZOFHJYJSSI-CYBMUJFWSA-N 2 0 249.358 1.144 20 0 BDADRP CC(C)([NH3+])CCC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000648147281 384522355 /nfs/dbraw/zinc/52/23/55/384522355.db2.gz CCNXJBCIUJBDQV-NSHDSACASA-N 2 0 241.379 1.152 20 0 BDADRP CC[N@H+](CC[C@H]1CC[NH2+]C1)C[C@H]1CCCO1 ZINC000249834679 384522615 /nfs/dbraw/zinc/52/26/15/384522615.db2.gz QOTPVCHSKADSDY-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP CC(C)OCCCN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428033707 384560330 /nfs/dbraw/zinc/56/03/30/384560330.db2.gz MTYLXNOYOXAAEM-CHWSQXEVSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1cnn(C)c1 ZINC000517937618 384581927 /nfs/dbraw/zinc/58/19/27/384581927.db2.gz ZSDFXTVZSLVDAI-NSHDSACASA-N 2 0 244.342 1.730 20 0 BDADRP Cc1nccc(N2CC[NH+](CC3CC3)CC2)n1 ZINC000172822843 384629352 /nfs/dbraw/zinc/62/93/52/384629352.db2.gz ULOCNUVASJKPGY-UHFFFAOYSA-N 2 0 232.331 1.317 20 0 BDADRP CO[C@@H](C[NH2+][C@H](C)CCCC[NH3+])C1CC1 ZINC000356363901 384631943 /nfs/dbraw/zinc/63/19/43/384631943.db2.gz ZWEPAWNMVRIBTB-PWSUYJOCSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cnn(C)c1 ZINC000271847169 384646004 /nfs/dbraw/zinc/64/60/04/384646004.db2.gz ICFVOBFNIUIVTE-LLVKDONJSA-N 2 0 234.347 1.333 20 0 BDADRP CCC1(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)COC1 ZINC000309835252 384653822 /nfs/dbraw/zinc/65/38/22/384653822.db2.gz AYCXUZQNRRQXDM-RYUDHWBXSA-N 2 0 226.364 1.485 20 0 BDADRP CC[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)OC ZINC000336659228 384685214 /nfs/dbraw/zinc/68/52/14/384685214.db2.gz IYKDDJLESCUBBV-FRRDWIJNSA-N 2 0 226.364 1.628 20 0 BDADRP CO[C@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)CC1 ZINC000363679149 384687384 /nfs/dbraw/zinc/68/73/84/384687384.db2.gz VMUZAHXTYDLOLF-KBPBESRZSA-N 2 0 240.391 1.972 20 0 BDADRP C[N@@H+]1CC[C@@H](NCCC[NH3+])C[C@@H]1c1ccccc1 ZINC000423187680 384719653 /nfs/dbraw/zinc/71/96/53/384719653.db2.gz LFBJXKYSXWWKCT-HUUCEWRRSA-N 3 0 247.386 1.760 20 0 BDADRP Nc1ccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cn1 ZINC000647546617 384734209 /nfs/dbraw/zinc/73/42/09/384734209.db2.gz RZGOXJCRAFEFEO-RYUDHWBXSA-N 2 0 234.347 1.101 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CNC[C@@H](C)C1 ZINC000647547180 384736337 /nfs/dbraw/zinc/73/63/37/384736337.db2.gz PZALJPALUJBDJS-SDDRHHMPSA-N 2 0 213.369 1.092 20 0 BDADRP C(C[NH2+]C1CC1)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647547732 384751303 /nfs/dbraw/zinc/75/13/03/384751303.db2.gz ATUPVBFUWCKZCY-YRGRVCCFSA-N 3 0 237.391 1.106 20 0 BDADRP C[C@@H](NC[C@H](O)C[N@H+](C)C1CC1)c1ccccn1 ZINC000289577378 384755014 /nfs/dbraw/zinc/75/50/14/384755014.db2.gz QYODYHTUBKFYCQ-YPMHNXCESA-N 2 0 249.358 1.187 20 0 BDADRP COCC[C@H]1CCC[C@H]1[NH2+]CCC[NH+](C)C ZINC000309987418 384766974 /nfs/dbraw/zinc/76/69/74/384766974.db2.gz YZALIBUMRICBAH-CHWSQXEVSA-N 2 0 228.380 1.733 20 0 BDADRP CC(C)([NH3+])C[NH2+]CC1CCC(F)CC1 ZINC000647553187 384769630 /nfs/dbraw/zinc/76/96/30/384769630.db2.gz HDZXFQLFDUJQFD-UHFFFAOYSA-N 2 0 202.317 1.842 20 0 BDADRP CC[N@H+](C)CCNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000054133207 384822133 /nfs/dbraw/zinc/82/21/33/384822133.db2.gz XEIUFJSTRUHBKB-CYBMUJFWSA-N 2 0 249.358 1.144 20 0 BDADRP C[C@@H](C[NH3+])C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000054343705 384831832 /nfs/dbraw/zinc/83/18/32/384831832.db2.gz PTJJULDGNNUNKS-WCQYABFASA-N 2 0 249.358 1.000 20 0 BDADRP C[C@@H](C[NH2+]C[C@H]1CCSC1)C[NH+](C)C ZINC000308592423 384835595 /nfs/dbraw/zinc/83/55/95/384835595.db2.gz WGWJWZMIPPTZGD-WDEREUQCSA-N 2 0 216.394 1.527 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+][C@H]2CCC[NH2+]CC2)O1 ZINC000398107444 384807978 /nfs/dbraw/zinc/80/79/78/384807978.db2.gz AHZUEXCNMGWYCV-WOPDTQHZSA-N 2 0 212.337 1.286 20 0 BDADRP COC[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000398123431 384809219 /nfs/dbraw/zinc/80/92/19/384809219.db2.gz QYDRURYOYODYEX-WCQYABFASA-N 2 0 226.364 1.391 20 0 BDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H](C)[NH3+] ZINC000083903410 384812614 /nfs/dbraw/zinc/81/26/14/384812614.db2.gz ZGXMBVJXVWSWGP-JTQLQIEISA-N 2 0 235.331 1.342 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CCOC(F)(F)F ZINC000398279578 384885108 /nfs/dbraw/zinc/88/51/08/384885108.db2.gz NOSMNOUOQXNIGF-ZETCQYMHSA-N 2 0 214.231 1.240 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000308638255 384886119 /nfs/dbraw/zinc/88/61/19/384886119.db2.gz BVKJBOJIQHXCLN-QWRGUYRKSA-N 2 0 202.342 1.255 20 0 BDADRP Fc1ccc(CNC[C@H]2C[NH2+]CCO2)cc1F ZINC000258957884 384957237 /nfs/dbraw/zinc/95/72/37/384957237.db2.gz RNRIOFSKAJTIAA-SNVBAGLBSA-N 2 0 242.269 1.043 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000310201912 384902369 /nfs/dbraw/zinc/90/23/69/384902369.db2.gz BWTMIOOWMSKGSI-UWVGGRQHSA-N 2 0 236.315 1.661 20 0 BDADRP CC(C)C[C@@H]([NH3+])c1noc(CCC(C)(C)[NH3+])n1 ZINC000647129883 384905176 /nfs/dbraw/zinc/90/51/76/384905176.db2.gz HUQNMAMRUFJFCG-SECBINFHSA-N 2 0 240.351 1.785 20 0 BDADRP C[C@H](O)CC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000257771796 384926924 /nfs/dbraw/zinc/92/69/24/384926924.db2.gz NUDXLNCMMHYRMG-NWDGAFQWSA-N 2 0 214.353 1.173 20 0 BDADRP Cc1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)nn1C ZINC000257697483 384927653 /nfs/dbraw/zinc/92/76/53/384927653.db2.gz PECKGPGFNWSIGK-UHFFFAOYSA-N 2 0 248.374 1.304 20 0 BDADRP c1ccc(C[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000258649056 384936027 /nfs/dbraw/zinc/93/60/27/384936027.db2.gz MLGWZQZFIRKHBU-UHFFFAOYSA-N 2 0 233.359 1.072 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCc1cc(F)ccc1F ZINC000258804750 384937372 /nfs/dbraw/zinc/93/73/72/384937372.db2.gz CJIZTDGYFKCDLK-OLZOCXBDSA-N 2 0 240.297 1.977 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000309307474 384939522 /nfs/dbraw/zinc/93/95/22/384939522.db2.gz DNNFFPBILZJLPG-JHJVBQTASA-N 2 0 228.380 1.645 20 0 BDADRP CC[C@H](O)C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000644569898 384966005 /nfs/dbraw/zinc/96/60/05/384966005.db2.gz MGBMSZMVRXMYNJ-NWDGAFQWSA-N 2 0 230.396 1.713 20 0 BDADRP CO[C@@H](C)C[NH2+]Cc1ncc(CN(C)C)s1 ZINC000336761058 384978424 /nfs/dbraw/zinc/97/84/24/384978424.db2.gz KDAGGDFGBZHIJY-VIFPVBQESA-N 2 0 243.376 1.329 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]CC1=CC[NH+](C)CC1)C2 ZINC000377080781 384981858 /nfs/dbraw/zinc/98/18/58/384981858.db2.gz VKXFJZVHHXWVBA-GOOCMWNKSA-N 3 0 249.402 1.463 20 0 BDADRP CC[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000644603632 384998356 /nfs/dbraw/zinc/99/83/56/384998356.db2.gz JHANKDQCOYSKHP-ZIAGYGMSSA-N 2 0 242.407 1.715 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000226397285 385007928 /nfs/dbraw/zinc/00/79/28/385007928.db2.gz DTOJTHXRXBZCFB-AAEUAGOBSA-N 2 0 243.395 1.350 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CCN(Cc2ccns2)C1 ZINC000404488414 385020552 /nfs/dbraw/zinc/02/05/52/385020552.db2.gz FFZFMBSSJAPNEM-RKDXNWHRSA-N 2 0 211.334 1.312 20 0 BDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@H](C)[NH+](C)C ZINC000644649270 385056923 /nfs/dbraw/zinc/05/69/23/385056923.db2.gz QCOHQVVKDPGAHE-NEPJUHHUSA-N 2 0 243.395 1.173 20 0 BDADRP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)c1cccnc1 ZINC000404780825 385064184 /nfs/dbraw/zinc/06/41/84/385064184.db2.gz NBFJPVDEJNGEDI-WCQGTBRESA-N 2 0 219.332 1.858 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)c1cccnc1 ZINC000404780823 385064322 /nfs/dbraw/zinc/06/43/22/385064322.db2.gz NBFJPVDEJNGEDI-MVWJERBFSA-N 2 0 219.332 1.858 20 0 BDADRP C[C@@H](N)[C@@H]1CCCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000359224925 385075016 /nfs/dbraw/zinc/07/50/16/385075016.db2.gz UDRCTXBJRDTOOB-OCCSQVGLSA-N 2 0 239.407 1.578 20 0 BDADRP CC(C)([NH3+])Cc1nc(C2([NH3+])CCCC2)no1 ZINC000647135224 385078162 /nfs/dbraw/zinc/07/81/62/385078162.db2.gz HATWJKCVTPJKSG-UHFFFAOYSA-N 2 0 224.308 1.077 20 0 BDADRP C[C@](O)(C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000310403644 385044095 /nfs/dbraw/zinc/04/40/95/385044095.db2.gz LFZDCBIZEWOIRL-IHRRRGAJSA-N 2 0 238.375 1.364 20 0 BDADRP CC(C)C[C@@H]([NH3+])c1noc([C@@H]2C[C@H]3C[C@H]3[NH2+]2)n1 ZINC000647133088 385046563 /nfs/dbraw/zinc/04/65/63/385046563.db2.gz ZYCZWJNPGQAOER-KYXWUPHJSA-N 2 0 236.319 1.538 20 0 BDADRP C1CC12C[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000424181276 385109173 /nfs/dbraw/zinc/10/91/73/385109173.db2.gz BTJNLRXZRCSBOR-TUAOUCFPSA-N 2 0 206.333 1.755 20 0 BDADRP CC[C@H](O)C[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000177837636 385121680 /nfs/dbraw/zinc/12/16/80/385121680.db2.gz HQDFXUUXCBIYGB-NEPJUHHUSA-N 2 0 214.353 1.031 20 0 BDADRP CC1(C)[C@H](NCCC[NH+]2CCCCC2)C[C@@H]1[NH3+] ZINC000404876717 385121849 /nfs/dbraw/zinc/12/18/49/385121849.db2.gz XCNACDNPTNBOEW-QWHCGFSZSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)[C@H](C)O ZINC000644669252 385087104 /nfs/dbraw/zinc/08/71/04/385087104.db2.gz OJPWQOCIMXHOCR-GRYCIOLGSA-N 2 0 214.353 1.077 20 0 BDADRP CO[C@](C)(C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC000310486015 385088089 /nfs/dbraw/zinc/08/80/89/385088089.db2.gz DXRZHMLBGLGBSG-IACUBPJLSA-N 2 0 240.391 1.874 20 0 BDADRP CN(C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]2C1)C1CC1 ZINC000310527202 385104370 /nfs/dbraw/zinc/10/43/70/385104370.db2.gz XHWUOUHPZZIDLL-SCRDCRAPSA-N 2 0 238.375 1.173 20 0 BDADRP C[NH+]1CCN(C(C)(C)C[NH2+]C2CCCC2)CC1 ZINC000020200271 385186194 /nfs/dbraw/zinc/18/61/94/385186194.db2.gz LCBGHJQFJDUAAW-UHFFFAOYSA-N 2 0 239.407 1.545 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000422710490 385194149 /nfs/dbraw/zinc/19/41/49/385194149.db2.gz FXRATIZSCSLZHE-WOPDTQHZSA-N 2 0 215.385 1.432 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@H]1C[NH2+]CC[C@H]1C ZINC000422721370 385200210 /nfs/dbraw/zinc/20/02/10/385200210.db2.gz VFMIKSSCTOOWSD-AGIUHOORSA-N 2 0 227.396 1.304 20 0 BDADRP COCCC[C@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000178038711 385175820 /nfs/dbraw/zinc/17/58/20/385175820.db2.gz OUCVVYXBTZGOIT-LBPRGKRZSA-N 2 0 230.396 1.979 20 0 BDADRP C([C@@H]1CCSC1)[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482659 385212138 /nfs/dbraw/zinc/21/21/38/385212138.db2.gz WMDHWVPFABQADT-NSHDSACASA-N 2 0 240.416 1.956 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C[C@H]2CCC[NH2+]2)cc1 ZINC000178249745 385216961 /nfs/dbraw/zinc/21/69/61/385216961.db2.gz CENFDGNPZIUPOH-ZWNOBZJWSA-N 2 0 247.342 1.787 20 0 BDADRP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000305768830 385227518 /nfs/dbraw/zinc/22/75/18/385227518.db2.gz LEGUSHLHJSAAHZ-RWMBFGLXSA-N 2 0 242.407 1.713 20 0 BDADRP C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000647076329 385235001 /nfs/dbraw/zinc/23/50/01/385235001.db2.gz ZKIVUGSNIMPRNC-NOZJJQNGSA-N 2 0 245.326 1.226 20 0 BDADRP Cc1cccnc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000157674708 385244861 /nfs/dbraw/zinc/24/48/61/385244861.db2.gz SXHVTILYCFYNAG-LBPRGKRZSA-N 2 0 219.332 1.561 20 0 BDADRP Cc1ccc(O)c(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)n1 ZINC000228064598 385324131 /nfs/dbraw/zinc/32/41/31/385324131.db2.gz PZIYGENJNIOVTP-GHMZBOCLSA-N 2 0 235.331 1.265 20 0 BDADRP Cc1ccnc(N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000272138176 385275806 /nfs/dbraw/zinc/27/58/06/385275806.db2.gz AVMDNBLJHJJGAT-STQMWFEESA-N 2 0 231.343 1.920 20 0 BDADRP CCC[C@H](C)[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000308989013 385333585 /nfs/dbraw/zinc/33/35/85/385333585.db2.gz VJWUMXPAILWUPA-NWDGAFQWSA-N 2 0 214.353 1.533 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CCN1CCCC1 ZINC000308987149 385334078 /nfs/dbraw/zinc/33/40/78/385334078.db2.gz GYGQYHANTGPYNF-LBPRGKRZSA-N 2 0 213.369 1.189 20 0 BDADRP CC[C@H](C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])OC ZINC000308994918 385335642 /nfs/dbraw/zinc/33/56/42/385335642.db2.gz PJACQVIQKMTLBD-QJPTWQEYSA-N 2 0 214.353 1.519 20 0 BDADRP CC[C@H](C[NH2+][C@H]1CCCC[C@H]1C[NH3+])OC ZINC000308994919 385336513 /nfs/dbraw/zinc/33/65/13/385336513.db2.gz PJACQVIQKMTLBD-TUAOUCFPSA-N 2 0 214.353 1.519 20 0 BDADRP CCN(C)C[C@H](O)C[N@@H+]1CCCC(C)(C)C1 ZINC000390505882 385352657 /nfs/dbraw/zinc/35/26/57/385352657.db2.gz WNLJOGFLWJCUCX-LBPRGKRZSA-N 2 0 228.380 1.421 20 0 BDADRP C[NH+](C)C1(CN[C@H]2CCC[NH2+]CC2)CCC1 ZINC000165185921 385359546 /nfs/dbraw/zinc/35/95/46/385359546.db2.gz NHAPVHNYYNUBSK-LBPRGKRZSA-N 2 0 225.380 1.202 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cccnc1 ZINC000309025427 385366774 /nfs/dbraw/zinc/36/67/74/385366774.db2.gz XQCNOGOCJDYRTJ-LLVKDONJSA-N 2 0 207.321 1.689 20 0 BDADRP CC(C)[C@@H](C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000154941877 385367392 /nfs/dbraw/zinc/36/73/92/385367392.db2.gz GSKRGEDMAZRSQY-QWHCGFSZSA-N 2 0 227.396 1.256 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000309015375 385370542 /nfs/dbraw/zinc/37/05/42/385370542.db2.gz QUEHMJZUNPMINX-RYUDHWBXSA-N 2 0 216.369 1.645 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@H](C)CCCC[NH3+] ZINC000309019334 385372954 /nfs/dbraw/zinc/37/29/54/385372954.db2.gz SUGFSHNBUYWSQA-VXGBXAGGSA-N 2 0 216.369 1.502 20 0 BDADRP C[NH+](C)CCOCC[NH2+][C@H]1CCC1(C)C ZINC000309031647 385379159 /nfs/dbraw/zinc/37/91/59/385379159.db2.gz CAGJLSLXWLYBCD-NSHDSACASA-N 2 0 214.353 1.343 20 0 BDADRP C[C@H](C[NH3+])N(C)Cc1ccccc1-n1cncn1 ZINC000647496053 385384794 /nfs/dbraw/zinc/38/47/94/385384794.db2.gz HHQMKWZPXXVPQU-LLVKDONJSA-N 2 0 245.330 1.046 20 0 BDADRP CC[NH+](CC)CCCN[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000405329433 385490917 /nfs/dbraw/zinc/49/09/17/385490917.db2.gz WABAAUCOWMLPEE-NEPJUHHUSA-N 2 0 227.396 1.434 20 0 BDADRP CC[NH+](CC)CCCN[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000405329434 385491212 /nfs/dbraw/zinc/49/12/12/385491212.db2.gz WABAAUCOWMLPEE-NWDGAFQWSA-N 2 0 227.396 1.434 20 0 BDADRP COC[C@]1(C[NH2+][C@H](C)CC(C)C)CCC[NH2+]1 ZINC000309267478 385504309 /nfs/dbraw/zinc/50/43/09/385504309.db2.gz CZLFIEUQIUWXRG-CHWSQXEVSA-N 2 0 228.380 1.779 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+]C2CSC2)CC1 ZINC000258052387 385529741 /nfs/dbraw/zinc/52/97/41/385529741.db2.gz KBOMJYDHHGLQET-SECBINFHSA-N 2 0 200.351 1.176 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CCc1ccccn1 ZINC000309326540 385531360 /nfs/dbraw/zinc/53/13/60/385531360.db2.gz IBJCHJLRLVMCPA-LBPRGKRZSA-N 2 0 221.348 1.731 20 0 BDADRP Cc1noc(C)c1CN1CC[C@@H](C[NH+](C)C)C1 ZINC000172197453 385532251 /nfs/dbraw/zinc/53/22/51/385532251.db2.gz CYVDMPJJGVCFPU-LBPRGKRZSA-N 2 0 237.347 1.675 20 0 BDADRP COC1(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)CCCC1 ZINC000319104840 385543841 /nfs/dbraw/zinc/54/38/41/385543841.db2.gz XVISJZRHYVAPSP-LBPRGKRZSA-N 2 0 226.364 1.616 20 0 BDADRP Cc1cc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc[nH+]1 ZINC000643031070 385527475 /nfs/dbraw/zinc/52/74/75/385527475.db2.gz GLQCBGKBNORSIB-WCQYABFASA-N 2 0 217.316 1.578 20 0 BDADRP CC[NH+](CC)CCN1CC[C@@H]2CC[N@H+](C)[C@H]2C1 ZINC000365007870 385563270 /nfs/dbraw/zinc/56/32/70/385563270.db2.gz KJZDYQLGXNEBFB-KBPBESRZSA-N 2 0 239.407 1.354 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CC1CC[NH+](C)CC1 ZINC000309402158 385571556 /nfs/dbraw/zinc/57/15/56/385571556.db2.gz UJGRCGACNLTNFI-LBPRGKRZSA-N 3 0 227.396 1.435 20 0 BDADRP c1ccc2c(c1)C[C@H](C[NH2+]C1CC[NH2+]CC1)O2 ZINC000038041581 385599351 /nfs/dbraw/zinc/59/93/51/385599351.db2.gz QZVWOIHPHJNNAV-CYBMUJFWSA-N 2 0 232.327 1.332 20 0 BDADRP c1ccc2c(c1)C[C@@H](C[NH2+]C1CC[NH2+]CC1)O2 ZINC000038041582 385599657 /nfs/dbraw/zinc/59/96/57/385599657.db2.gz QZVWOIHPHJNNAV-ZDUSSCGKSA-N 2 0 232.327 1.332 20 0 BDADRP Fc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)nc1 ZINC000647789596 385619219 /nfs/dbraw/zinc/61/92/19/385619219.db2.gz HWZJSVGVSYOARE-NTZNESFSSA-N 2 0 249.333 1.698 20 0 BDADRP CS[C@@H](C)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000308133935 385620162 /nfs/dbraw/zinc/62/01/62/385620162.db2.gz MMJKJABAYMTWNF-UWVGGRQHSA-N 2 0 204.383 1.845 20 0 BDADRP COC1(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CCCC1 ZINC000309493070 385612889 /nfs/dbraw/zinc/61/28/89/385612889.db2.gz JHSZOSDGFGSMAZ-VXGBXAGGSA-N 2 0 226.364 1.805 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(F)cc1 ZINC000414850189 385637556 /nfs/dbraw/zinc/63/75/56/385637556.db2.gz YZLBYNJZHXLZCW-SNVBAGLBSA-N 2 0 210.296 1.771 20 0 BDADRP CC(C)C[C@H](C[NH3+])N[C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000414856751 385717071 /nfs/dbraw/zinc/71/70/71/385717071.db2.gz ZKZAIVPVTYTYCX-YNEHKIRRSA-N 3 0 227.396 1.480 20 0 BDADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCSC2)CC1 ZINC000307455225 385688411 /nfs/dbraw/zinc/68/84/11/385688411.db2.gz CGLLFSHMEZGDSO-LLVKDONJSA-N 2 0 212.362 1.343 20 0 BDADRP CC[NH2+]CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000414854278 385692986 /nfs/dbraw/zinc/69/29/86/385692986.db2.gz ZBDGOGJFEBZEHQ-XQQFMLRXSA-N 2 0 225.380 1.106 20 0 BDADRP C([NH2+][C@@H]1CCC[C@H]1C1CC1)[C@@H]1CCC[NH2+]1 ZINC000414854413 385693095 /nfs/dbraw/zinc/69/30/95/385693095.db2.gz ZJOAPICCBKXLBZ-RWMBFGLXSA-N 2 0 208.349 1.907 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCO2)[C@@H](C)C1 ZINC000221728421 385693844 /nfs/dbraw/zinc/69/38/44/385693844.db2.gz VEKWWMHJTALQDO-AVGNSLFASA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCCO1 ZINC000336687729 385705709 /nfs/dbraw/zinc/70/57/09/385705709.db2.gz GRXXTLVGJNRQSZ-SCRDCRAPSA-N 2 0 238.375 1.628 20 0 BDADRP Cc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)ncn1 ZINC000647793775 385728849 /nfs/dbraw/zinc/72/88/49/385728849.db2.gz HXRKPLKLJQOFMJ-RWMBFGLXSA-N 2 0 246.358 1.263 20 0 BDADRP [NH3+]CC1(CNCC2([NH3+])CCCCCC2)CC1 ZINC000414860003 385737988 /nfs/dbraw/zinc/73/79/88/385737988.db2.gz OAHOCBIMFWIOOV-UHFFFAOYSA-N 2 0 225.380 1.367 20 0 BDADRP [NH3+]C1(CNC[C@H]2CCC[NH2+]C2)CCCCCC1 ZINC000414859099 385740964 /nfs/dbraw/zinc/74/09/64/385740964.db2.gz MBMZTBGFACCOFL-ZDUSSCGKSA-N 2 0 239.407 1.627 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000309610781 385741685 /nfs/dbraw/zinc/74/16/85/385741685.db2.gz MQHKJXGXACTOGV-AVGNSLFASA-N 2 0 228.380 1.323 20 0 BDADRP C[NH2+]CCC[NH2+]Cc1c[nH]nc1-c1ccc(C)o1 ZINC000414864159 385766859 /nfs/dbraw/zinc/76/68/59/385766859.db2.gz YZWKSDNTOKYKNE-UHFFFAOYSA-N 2 0 248.330 1.677 20 0 BDADRP Cc1ncsc1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414865965 385772709 /nfs/dbraw/zinc/77/27/09/385772709.db2.gz ZZQBPJJZIOCTRR-MWLCHTKSSA-N 2 0 239.388 1.929 20 0 BDADRP CC1(C)CCC[C@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000414866182 385774242 /nfs/dbraw/zinc/77/42/42/385774242.db2.gz MIRHXSVWLAVHBO-GFCCVEGCSA-N 2 0 225.380 1.060 20 0 BDADRP CCC(O)(CC)C[NH2+][C@@H](C)CCC[NH3+] ZINC000336691124 385726757 /nfs/dbraw/zinc/72/67/57/385726757.db2.gz PDVFBRFHBFOTOG-JTQLQIEISA-N 2 0 202.342 1.255 20 0 BDADRP C1CC12C[C@@H]2[NH2+][C@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647799759 385803242 /nfs/dbraw/zinc/80/32/42/385803242.db2.gz QAPFBKGPYJKPJE-RHYQMDGZSA-N 2 0 206.333 1.517 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+][C@H]2CC[NH2+]C[C@H]2C)CCO1 ZINC000414950201 385816758 /nfs/dbraw/zinc/81/67/58/385816758.db2.gz FZXMFPLQYGYRMW-SYQHCUMBSA-N 2 0 240.391 1.779 20 0 BDADRP [NH3+]CC1(CNC[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000414950205 385817134 /nfs/dbraw/zinc/81/71/34/385817134.db2.gz DTFGPTCPWKCWFB-AWEZNQCLSA-N 2 0 245.370 1.202 20 0 BDADRP C[C@@H](C[C@H]1CCC[NH2+]1)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414951278 385821711 /nfs/dbraw/zinc/82/17/11/385821711.db2.gz PMXBMYWCOZKXDG-YVECIDJPSA-N 2 0 225.380 1.247 20 0 BDADRP COc1cccc(C[C@H](C)N[C@H]2CCC[NH2+]C2)n1 ZINC000414871491 385857757 /nfs/dbraw/zinc/85/77/57/385857757.db2.gz UXYCCCGBKBDYFG-AAEUAGOBSA-N 2 0 249.358 1.363 20 0 BDADRP C[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)[C@@H]1CCCC[NH2+]1 ZINC000393693108 385857790 /nfs/dbraw/zinc/85/77/90/385857790.db2.gz IMKGQFCGSNMSDY-XQQFMLRXSA-N 2 0 242.407 1.904 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000414869592 385836725 /nfs/dbraw/zinc/83/67/25/385836725.db2.gz ARVNRHJRABIEFV-ZDUSSCGKSA-N 2 0 247.386 1.840 20 0 BDADRP C[C@H]1SCC[C@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000647803997 385840296 /nfs/dbraw/zinc/84/02/96/385840296.db2.gz HKIFBXOHLWCYQR-HBIQZDMRSA-N 2 0 228.405 1.988 20 0 BDADRP C[C@H](C[NH3+])C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000262310220 385842149 /nfs/dbraw/zinc/84/21/49/385842149.db2.gz CUIIIRVTHRFUFS-LLVKDONJSA-N 2 0 249.358 1.324 20 0 BDADRP C[NH+](C)C[C@H]1CN(CCC(C)(C)C)CCO1 ZINC000112697950 385843991 /nfs/dbraw/zinc/84/39/91/385843991.db2.gz GIXMMNQAFMJXAK-LBPRGKRZSA-N 2 0 228.380 1.685 20 0 BDADRP CC(C)[C@@H](O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000366630316 385855481 /nfs/dbraw/zinc/85/54/81/385855481.db2.gz QPNUOTUPCKJBOI-OLZOCXBDSA-N 2 0 228.380 1.419 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000336704596 385788372 /nfs/dbraw/zinc/78/83/72/385788372.db2.gz KXTUEKSKRJIDCS-AAEUAGOBSA-N 2 0 234.343 1.707 20 0 BDADRP CC(C)([NH3+])CCC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000647767383 385883775 /nfs/dbraw/zinc/88/37/75/385883775.db2.gz HLLOFFFVIUDMNN-GFCCVEGCSA-N 2 0 249.358 1.320 20 0 BDADRP C1C[NH2+][C@H]([C@@H]2CCC[C@H]2N[C@@H]2CCC[NH2+]C2)C1 ZINC000414874210 385884533 /nfs/dbraw/zinc/88/45/33/385884533.db2.gz YTDYZJWSLIKSCR-ZOBORPQBSA-N 2 0 237.391 1.249 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]Cc1c[nH]nc1C(C)(C)C ZINC000414874067 385885270 /nfs/dbraw/zinc/88/52/70/385885270.db2.gz HYUVGQNSHSNJMG-SECBINFHSA-N 2 0 224.352 1.392 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000647840052 385887460 /nfs/dbraw/zinc/88/74/60/385887460.db2.gz PXTUQBQEOZTTOA-HWNAMQAFSA-N 2 0 245.326 1.110 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1NCc1ccccc1N(C)C ZINC000414961764 385887798 /nfs/dbraw/zinc/88/77/98/385887798.db2.gz WDLQTLSSGDMEMJ-JSGCOSHPSA-N 2 0 247.386 1.983 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000647840053 385887914 /nfs/dbraw/zinc/88/79/14/385887914.db2.gz PXTUQBQEOZTTOA-KMLBCRHOSA-N 2 0 245.326 1.110 20 0 BDADRP COc1cc(C[NH2+][C@@H](C)CCCC[NH3+])ccn1 ZINC000336726202 385892002 /nfs/dbraw/zinc/89/20/02/385892002.db2.gz VHVWLDCHKZVJDE-NSHDSACASA-N 2 0 237.347 1.697 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CSC1(C)C ZINC000393857338 385892599 /nfs/dbraw/zinc/89/25/99/385892599.db2.gz VVPQYIHFFUIACN-RKDXNWHRSA-N 2 0 202.367 1.597 20 0 BDADRP CCC[NH2+]CCN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000414876489 385908483 /nfs/dbraw/zinc/90/84/83/385908483.db2.gz VYAZZNAACDFKEH-ZIAGYGMSSA-N 2 0 241.423 1.886 20 0 BDADRP c1cncc(C[NH2+]CCC[C@H]2CCC[NH2+]2)c1 ZINC000414966478 385918727 /nfs/dbraw/zinc/91/87/27/385918727.db2.gz GITXAFSAENAUQM-ZDUSSCGKSA-N 2 0 219.332 1.703 20 0 BDADRP C[C@H]([NH2+][C@H]1COc2ccccc2C1)C1C[NH2+]C1 ZINC000335032722 385920520 /nfs/dbraw/zinc/92/05/20/385920520.db2.gz YUVDBKQMKVPQCI-GXFFZTMASA-N 2 0 232.327 1.188 20 0 BDADRP C([NH2+][C@@H]1CCCC12CCOCC2)[C@H]1CCC[NH2+]1 ZINC000335033080 385921600 /nfs/dbraw/zinc/92/16/00/385921600.db2.gz OMBRXTSFGUODGO-CHWSQXEVSA-N 2 0 238.375 1.677 20 0 BDADRP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@@H]1CC[C@@H](C)O1 ZINC000308989643 385926764 /nfs/dbraw/zinc/92/67/64/385926764.db2.gz VOBYBMCPNLDTED-WOPDTQHZSA-N 2 0 214.353 1.517 20 0 BDADRP C[N@H+](CCCn1ccnc1)CCc1cnccn1 ZINC000272038525 385869701 /nfs/dbraw/zinc/86/97/01/385869701.db2.gz OHLJRLIADGJAOK-UHFFFAOYSA-N 2 0 245.330 1.238 20 0 BDADRP C[C@H](C(=O)NCC(C)(C)[NH3+])[C@H]([NH3+])c1ccccc1 ZINC000262651034 385870603 /nfs/dbraw/zinc/87/06/03/385870603.db2.gz VGXPHAQGIJWXOT-JQWIXIFHSA-N 2 0 249.358 1.176 20 0 BDADRP Cc1ncc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)s1 ZINC000335037730 385928258 /nfs/dbraw/zinc/92/82/58/385928258.db2.gz FNVZXIIFYVURDX-BXKDBHETSA-N 2 0 239.388 1.929 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000335037665 385928287 /nfs/dbraw/zinc/92/82/87/385928287.db2.gz DCSISZRXUWAKIS-OCCSQVGLSA-N 3 0 239.407 1.306 20 0 BDADRP C(C[NH2+]C[C@@H]1CCC[NH2+]C1)C[C@@H]1CCC[NH2+]1 ZINC000414960937 385881779 /nfs/dbraw/zinc/88/17/79/385881779.db2.gz AVRJXJJVJSLUDN-CHWSQXEVSA-N 3 0 225.380 1.108 20 0 BDADRP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@@H]1CC[C@@H](C)O1 ZINC000308989640 385928479 /nfs/dbraw/zinc/92/84/79/385928479.db2.gz VOBYBMCPNLDTED-GRYCIOLGSA-N 2 0 214.353 1.517 20 0 BDADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000335019577 385977247 /nfs/dbraw/zinc/97/72/47/385977247.db2.gz QQGXLVOFWDMUNC-AAEUAGOBSA-N 2 0 248.374 1.387 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC1CCSCC1 ZINC000335019782 385979067 /nfs/dbraw/zinc/97/90/67/385979067.db2.gz UIAIUYZNUHHJTR-MNOVXSKESA-N 2 0 214.378 1.599 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)[C@H]1C[C@H]1C ZINC000414132656 385981234 /nfs/dbraw/zinc/98/12/34/385981234.db2.gz ZLSCLIZMKCBZGG-BZPMIXESSA-N 2 0 240.391 1.325 20 0 BDADRP COc1cccc2c1CC[C@@H]([NH2+]C[C@@H](C)C[NH3+])C2 ZINC000414878665 385940121 /nfs/dbraw/zinc/94/01/21/385940121.db2.gz OOVVYPCNUJSKCJ-WCQYABFASA-N 2 0 248.370 1.737 20 0 BDADRP COc1ccncc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000311017039 385940329 /nfs/dbraw/zinc/94/03/29/385940329.db2.gz NFQDJGYETHHIGC-GFCCVEGCSA-N 2 0 249.358 1.651 20 0 BDADRP CC[NH+](CC)CCCN1CC[N@H+](C)CC1(C)C ZINC000338280227 385944552 /nfs/dbraw/zinc/94/45/52/385944552.db2.gz LRKUXFYRDMEIAZ-UHFFFAOYSA-N 2 0 241.423 1.744 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1C[C@@H](O)C[C@@H]1C ZINC000338280933 385945250 /nfs/dbraw/zinc/94/52/50/385945250.db2.gz VTSTWVJYMJJQLI-RYUDHWBXSA-N 2 0 214.353 1.173 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC1(O)CCC1 ZINC000335051543 385948642 /nfs/dbraw/zinc/94/86/42/385948642.db2.gz QUTOIPRQYQWTPR-MNOVXSKESA-N 2 0 212.337 1.151 20 0 BDADRP C(C[NH2+]CC[C@H]1CCOC1)C[C@H]1CCC[NH2+]1 ZINC000414973403 385993634 /nfs/dbraw/zinc/99/36/34/385993634.db2.gz ZLMXZDJOJKYVOE-STQMWFEESA-N 2 0 226.364 1.535 20 0 BDADRP CC[NH+](CC)CCC[N@H+](C)CC1(O)CCC1 ZINC000338305589 385951827 /nfs/dbraw/zinc/95/18/27/385951827.db2.gz SEPMMXNPONEHOW-UHFFFAOYSA-N 2 0 228.380 1.565 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]Cc1ccc2ncccc2c1 ZINC000414879483 385952359 /nfs/dbraw/zinc/95/23/59/385952359.db2.gz PNEVQIVITGXXIT-LLVKDONJSA-N 2 0 229.327 1.919 20 0 BDADRP CC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000335053677 385953960 /nfs/dbraw/zinc/95/39/60/385953960.db2.gz ZPOKPGKYOGWIPM-OCCSQVGLSA-N 2 0 232.327 1.852 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC[C@H]2CCCO2)C1 ZINC000251469829 385955391 /nfs/dbraw/zinc/95/53/91/385955391.db2.gz DMQJQCHNVTZWIZ-RWMBFGLXSA-N 2 0 226.364 1.615 20 0 BDADRP CC1([NH3+])CC[NH+](Cc2cccc(N)c2)CC1 ZINC000647924895 385958814 /nfs/dbraw/zinc/95/88/14/385958814.db2.gz UDAKGKWJRPIYDX-UHFFFAOYSA-N 2 0 219.332 1.582 20 0 BDADRP C[N@H+](CCCCF)CCCn1ccnc1 ZINC000285726568 385959544 /nfs/dbraw/zinc/95/95/44/385959544.db2.gz UCXGZBYVUXJIQK-UHFFFAOYSA-N 2 0 213.300 1.955 20 0 BDADRP C[C@H]1C[N@H+](C)C[C@@H]1NCC1([NH3+])CCCCCC1 ZINC000335058785 385960518 /nfs/dbraw/zinc/96/05/18/385960518.db2.gz KGITZXKPMRLODA-STQMWFEESA-N 2 0 239.407 1.578 20 0 BDADRP COC[C@H](C)[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000336769378 385972088 /nfs/dbraw/zinc/97/20/88/385972088.db2.gz RRVCTBKOJLJYJO-NSHDSACASA-N 2 0 246.420 1.438 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC1=CCCOC1 ZINC000335015762 385973707 /nfs/dbraw/zinc/97/37/07/385973707.db2.gz AEAIDKZZPYBWTL-CHWSQXEVSA-N 2 0 224.348 1.583 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](CCc2cn[nH]c2)C1 ZINC000309395013 386008126 /nfs/dbraw/zinc/00/81/26/386008126.db2.gz IGNBALMEGSSZAN-NSHDSACASA-N 2 0 222.336 1.013 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+]CC[C@H]1CCOC1 ZINC000336770202 386011826 /nfs/dbraw/zinc/01/18/26/386011826.db2.gz WJKXSTYUIYVZQK-RYUDHWBXSA-N 2 0 214.353 1.343 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@]1(C)CCO[C@@H]1C ZINC000336751871 386013603 /nfs/dbraw/zinc/01/36/03/386013603.db2.gz DBAUHVQSBYTUNB-CHWSQXEVSA-N 2 0 228.380 1.875 20 0 BDADRP CC(C)n1cc(C[NH2+][C@H](C)CC[NH3+])cn1 ZINC000414883663 386037405 /nfs/dbraw/zinc/03/74/05/386037405.db2.gz NENACSSUTJOGRO-SNVBAGLBSA-N 2 0 210.325 1.291 20 0 BDADRP CO[C@@H](C[N@H+](C)C[C@H]1CCC[NH+](C)C1)C1CC1 ZINC000425424216 386043183 /nfs/dbraw/zinc/04/31/83/386043183.db2.gz WADZOEZLBPWHNN-JSGCOSHPSA-N 2 0 240.391 1.685 20 0 BDADRP CO[C@H](C[NH+]1CCC([NH2+]C(C)C)CC1)C1CC1 ZINC000425422754 386044826 /nfs/dbraw/zinc/04/48/26/386044826.db2.gz YCBXDVRLQFHQDC-CQSZACIVSA-N 2 0 240.391 1.874 20 0 BDADRP CC[C@H]([NH3+])C[NH2+]C[C@@H](C)CC1CCOCC1 ZINC000414980457 386051637 /nfs/dbraw/zinc/05/16/37/386051637.db2.gz PLJPTFJHTWFXHZ-AAEUAGOBSA-N 2 0 228.380 1.766 20 0 BDADRP C[NH2+]Cc1ccc(NC[C@H]2CCC[NH2+]C2)cc1 ZINC000414980772 386055548 /nfs/dbraw/zinc/05/55/48/386055548.db2.gz WRVLSZMFBLRHOS-ZDUSSCGKSA-N 2 0 233.359 1.818 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@@H]2C[C@@H](C)O[C@@H]2C)CC1 ZINC000414295090 386103985 /nfs/dbraw/zinc/10/39/85/386103985.db2.gz ZIYNEWFQGVEWAM-UPJWGTAASA-N 2 0 240.391 1.874 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414665202 386107946 /nfs/dbraw/zinc/10/79/46/386107946.db2.gz UUJDOEKVCJTPSP-XJFOESAGSA-N 3 0 239.407 1.434 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414665195 386109199 /nfs/dbraw/zinc/10/91/99/386109199.db2.gz UUJDOEKVCJTPSP-AAVRWANBSA-N 3 0 239.407 1.434 20 0 BDADRP C[C@@H]1[C@H](C)[NH2+]CCN1CC[NH2+]C(C)(C)C ZINC000414665375 386112988 /nfs/dbraw/zinc/11/29/88/386112988.db2.gz VETBSDHSLFUEQU-WDEREUQCSA-N 2 0 213.369 1.057 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414650020 386064092 /nfs/dbraw/zinc/06/40/92/386064092.db2.gz CRGBTDUZQDBWAE-HABKJSAYSA-N 2 0 239.407 1.575 20 0 BDADRP COCC[N@H+](CC1CC[NH2+]CC1)C1CCCC1 ZINC000648405403 386077577 /nfs/dbraw/zinc/07/75/77/386077577.db2.gz UWMHAIKGJZKPCS-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP CC(C)C[C@H]([NH3+])CN(C)C1CC[NH2+]CC1 ZINC000414656055 386081889 /nfs/dbraw/zinc/08/18/89/386081889.db2.gz MFXBKGLDVCKXOU-NSHDSACASA-N 2 0 213.369 1.044 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](C)[C@H]2CN)CC[NH2+]1 ZINC000414657088 386084128 /nfs/dbraw/zinc/08/41/28/386084128.db2.gz JMDPILCFOYNLAX-REWJHTLYSA-N 2 0 239.407 1.434 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[NH2+]CC2(C)C)CC[NH2+]1 ZINC000414983449 386085366 /nfs/dbraw/zinc/08/53/66/386085366.db2.gz ZQVHSSDJXAKEJU-JHJVBQTASA-N 3 0 239.407 1.352 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@H](C)CC1CCOCC1 ZINC000414985808 386098005 /nfs/dbraw/zinc/09/80/05/386098005.db2.gz IBPUHYRXXFLVJL-PWSUYJOCSA-N 2 0 214.353 1.519 20 0 BDADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414662394 386099287 /nfs/dbraw/zinc/09/92/87/386099287.db2.gz QAZJXZJSRPKKFN-RDBSUJKOSA-N 3 0 241.423 1.680 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC000414992457 386156984 /nfs/dbraw/zinc/15/69/84/386156984.db2.gz RPEFJYAGZDGQEC-QWHCGFSZSA-N 2 0 248.370 1.879 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H](CO)C2)CC[NH2+]1 ZINC000414677507 386157628 /nfs/dbraw/zinc/15/76/28/386157628.db2.gz WOFVIKMVOFRFBK-AGIUHOORSA-N 2 0 226.364 1.079 20 0 BDADRP CN(CC[NH3+])CCN(C)c1ccccc1 ZINC000077300922 386161047 /nfs/dbraw/zinc/16/10/47/386161047.db2.gz JBKJPBXNIDISSR-UHFFFAOYSA-N 2 0 207.321 1.013 20 0 BDADRP CCCCC[N@H+](CCO)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414681582 386164553 /nfs/dbraw/zinc/16/45/53/386164553.db2.gz PMNUNKUQHNOXFW-UONOGXRCSA-N 2 0 242.407 1.859 20 0 BDADRP [NH3+]CC1CCC([NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000414994867 386168899 /nfs/dbraw/zinc/16/88/99/386168899.db2.gz DWNHRBYHCLLUCW-CEUNDQEZSA-N 3 0 239.407 1.611 20 0 BDADRP C[C@@H]1C[C@@H](C[N@H+](CCCCO)C2CC2)CC[NH2+]1 ZINC000414687253 386170728 /nfs/dbraw/zinc/17/07/28/386170728.db2.gz BYENULWURVXEGC-OLZOCXBDSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccnn1C ZINC000235513016 386171742 /nfs/dbraw/zinc/17/17/42/386171742.db2.gz YPKUPQPDHNLVPR-NSHDSACASA-N 2 0 224.352 1.413 20 0 BDADRP CC[C@H]([NH3+])CN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000414995805 386178456 /nfs/dbraw/zinc/17/84/56/386178456.db2.gz WTEYPPFHMINKQA-AVGNSLFASA-N 2 0 227.396 1.624 20 0 BDADRP C[C@H]1CC[N@H+](CCC[NH+]2CCCCC2)[C@@H]1CO ZINC000190425712 386179062 /nfs/dbraw/zinc/17/90/62/386179062.db2.gz NYNRJIIERZFAIW-UONOGXRCSA-N 2 0 240.391 1.565 20 0 BDADRP CC(C)C[C@H]([NH3+])CN(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000414692226 386183277 /nfs/dbraw/zinc/18/32/77/386183277.db2.gz KLDMQOQYBSFLEH-JSGCOSHPSA-N 2 0 239.407 1.528 20 0 BDADRP C[NH+]1CCC(CC[NH2+]C[C@@H]2CCCOC2)CC1 ZINC000164680298 386188105 /nfs/dbraw/zinc/18/81/05/386188105.db2.gz GBEOOBHUZDXEDF-AWEZNQCLSA-N 2 0 240.391 1.735 20 0 BDADRP Cc1n[nH]c(C)c1C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414989931 386138624 /nfs/dbraw/zinc/13/86/24/386138624.db2.gz HYNYKUVFMXFHEA-NEPJUHHUSA-N 2 0 236.363 1.634 20 0 BDADRP CCN(C)c1ccc(C[NH2+][C@@H](C)CC[NH3+])cn1 ZINC000414896540 386203036 /nfs/dbraw/zinc/20/30/36/386203036.db2.gz PGDWLWUOGBRTOK-NSHDSACASA-N 2 0 236.363 1.365 20 0 BDADRP COCC(C)(C)[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414700587 386207159 /nfs/dbraw/zinc/20/71/59/386207159.db2.gz GIDGYIYMCIVUBT-MNOVXSKESA-N 2 0 214.353 1.389 20 0 BDADRP CC[C@H](O)C[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000339011884 386208445 /nfs/dbraw/zinc/20/84/45/386208445.db2.gz WGFRVINCPZRPLK-AGIUHOORSA-N 2 0 228.380 1.562 20 0 BDADRP C[N@H+](CCOC1CCC1)C[C@H]1CCC[NH+](C)C1 ZINC000347059638 386209569 /nfs/dbraw/zinc/20/95/69/386209569.db2.gz RHAGDDWGFZFHTE-ZDUSSCGKSA-N 2 0 240.391 1.829 20 0 BDADRP CC(C)[N@H+](C[C@H](C)O)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414702901 386210170 /nfs/dbraw/zinc/21/01/70/386210170.db2.gz VLDSVXYJOGXELS-RWMBFGLXSA-N 2 0 228.380 1.466 20 0 BDADRP CC(C)[N@H+](C[C@H](C)O)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414702891 386210294 /nfs/dbraw/zinc/21/02/94/386210294.db2.gz VLDSVXYJOGXELS-AGIUHOORSA-N 2 0 228.380 1.466 20 0 BDADRP C[C@@H](C[N@H+](C)CCC[NH3+])c1nccs1 ZINC000414703649 386212506 /nfs/dbraw/zinc/21/25/06/386212506.db2.gz CQMKWUHCXMUZQK-VIFPVBQESA-N 2 0 213.350 1.527 20 0 BDADRP CCC[N@H+](CCC[NH3+])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000414706025 386219427 /nfs/dbraw/zinc/21/94/27/386219427.db2.gz OFTDSZWOFVUFQU-YNEHKIRRSA-N 2 0 240.391 1.861 20 0 BDADRP CCC(CC)(CO)[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414709776 386225420 /nfs/dbraw/zinc/22/54/20/386225420.db2.gz PJXZTYYFFAACQE-NEPJUHHUSA-N 2 0 228.380 1.515 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2CCCO2)c2ccccc21 ZINC000131916048 386226233 /nfs/dbraw/zinc/22/62/33/386226233.db2.gz NJNJLDKYGPFIOA-GDLCADMTSA-N 2 0 232.327 1.900 20 0 BDADRP CC1(C[NH2+]C2CCC(C[NH3+])CC2)CC[NH2+]CC1 ZINC000414898560 386234736 /nfs/dbraw/zinc/23/47/36/386234736.db2.gz GGMGCCLFRMAFRY-UHFFFAOYSA-N 3 0 239.407 1.483 20 0 BDADRP C[C@H](O)CC[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414715021 386236557 /nfs/dbraw/zinc/23/65/57/386236557.db2.gz VZGOORIKIVZLOX-WOPDTQHZSA-N 2 0 214.353 1.077 20 0 BDADRP [NH3+]CCCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000414899378 386243980 /nfs/dbraw/zinc/24/39/80/386243980.db2.gz FVISEFJDOWXAOS-TUAOUCFPSA-N 2 0 224.348 1.273 20 0 BDADRP C(C[C@H]1CCC[NH2+]1)[NH2+]C[C@@H]1CCCOC1 ZINC000414899454 386252398 /nfs/dbraw/zinc/25/23/98/386252398.db2.gz BYOBSOQGWSOCBG-NWDGAFQWSA-N 2 0 212.337 1.145 20 0 BDADRP COc1ccccc1C[C@@H](C)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414895758 386194049 /nfs/dbraw/zinc/19/40/49/386194049.db2.gz ZIHUCSRHJOKJFJ-RISCZKNCSA-N 2 0 248.370 1.953 20 0 BDADRP C([C@@H]1CCCCO1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310555329 386198518 /nfs/dbraw/zinc/19/85/18/386198518.db2.gz HZHRYBFVLDSTRU-MJBXVCDLSA-N 2 0 238.375 1.487 20 0 BDADRP CN(CCC[NH3+])Cc1cc(C(C)(C)C)n[nH]1 ZINC000414731888 386290839 /nfs/dbraw/zinc/29/08/39/386290839.db2.gz CBQSPFMJBLJDKH-UHFFFAOYSA-N 2 0 224.352 1.488 20 0 BDADRP CC(C)(C)[C@H](CN)[NH2+]CCCC1CC[NH2+]CC1 ZINC000647988167 386293549 /nfs/dbraw/zinc/29/35/49/386293549.db2.gz YRYAAJNEKPAVGK-ZDUSSCGKSA-N 3 0 241.423 1.729 20 0 BDADRP c1cncc([C@@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]C2)c1 ZINC000647988132 386294053 /nfs/dbraw/zinc/29/40/53/386294053.db2.gz SERWTXNALLLDCC-OCCSQVGLSA-N 2 0 231.343 1.828 20 0 BDADRP CC[N@H+](C[C@@H](O)CN(C)C1CC1)C1CCC1 ZINC000336667753 386296967 /nfs/dbraw/zinc/29/69/67/386296967.db2.gz QJKZSZDDRWMCAF-ZDUSSCGKSA-N 2 0 226.364 1.316 20 0 BDADRP CCO[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CC[NH2+]C2)C1(C)C ZINC000647886669 386298957 /nfs/dbraw/zinc/29/89/57/386298957.db2.gz HDTOPBWGMPDFNO-FRRDWIJNSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@H](O)CCC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000336672506 386302461 /nfs/dbraw/zinc/30/24/61/386302461.db2.gz SXHKFIRSXPGUPP-QWHCGFSZSA-N 2 0 228.380 1.421 20 0 BDADRP CC[C@]1(CO)CCC[N@@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414737080 386303819 /nfs/dbraw/zinc/30/38/19/386303819.db2.gz IIQJHBXSUWXUAP-MGPQQGTHSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@H]1CC[N@H+](CC2CC[NH2+]CC2)[C@H](CN)C1 ZINC000335266631 386304807 /nfs/dbraw/zinc/30/48/07/386304807.db2.gz BVTPCLQBRZXIPV-AAEUAGOBSA-N 2 0 225.380 1.045 20 0 BDADRP CC[N@H+](CCCO)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414737721 386313801 /nfs/dbraw/zinc/31/38/01/386313801.db2.gz HPPKHCAIYBPMJJ-NWDGAFQWSA-N 2 0 214.353 1.079 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)[C@H](C)O1 ZINC000297539755 386263961 /nfs/dbraw/zinc/26/39/61/386263961.db2.gz OPJIUFYYDGHJMG-SUNKGSAMSA-N 2 0 245.326 1.990 20 0 BDADRP CO[C@@H]1CC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000336652981 386270010 /nfs/dbraw/zinc/27/00/10/386270010.db2.gz XKFGWSVHHYRIFF-VXGBXAGGSA-N 2 0 212.337 1.191 20 0 BDADRP Cc1cn[nH]c1C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414903796 386343094 /nfs/dbraw/zinc/34/30/94/386343094.db2.gz MFKLOBWCPYOLOT-UHFFFAOYSA-N 2 0 222.336 1.197 20 0 BDADRP [NH3+]CCC[N@@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000414747050 386348715 /nfs/dbraw/zinc/34/87/15/386348715.db2.gz RNSAIYCBXLTFNX-CYBMUJFWSA-N 2 0 244.342 1.632 20 0 BDADRP CC[C@]1(CO)CCC[N@@H+]1C[C@@H]([NH3+])CC(C)C ZINC000414748370 386351502 /nfs/dbraw/zinc/35/15/02/386351502.db2.gz WMSZJUAFTFGPQP-QWHCGFSZSA-N 2 0 228.380 1.597 20 0 BDADRP C[C@H](CC1CC1)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000336731947 386352595 /nfs/dbraw/zinc/35/25/95/386352595.db2.gz FNGAQHVMUGRLPP-LLVKDONJSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000415007659 386356108 /nfs/dbraw/zinc/35/61/08/386356108.db2.gz BOQDXLONBPLHMA-FRRDWIJNSA-N 3 0 227.396 1.624 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000414747871 386357432 /nfs/dbraw/zinc/35/74/32/386357432.db2.gz VDLCWQIEYRXJGO-ZIAGYGMSSA-N 2 0 241.423 1.776 20 0 BDADRP c1cc2c(c(C[NH2+]C[C@@H]3CC[NH2+]C3)c1)NCC2 ZINC000414905024 386359438 /nfs/dbraw/zinc/35/94/38/386359438.db2.gz KZSNBFQQZJINML-LLVKDONJSA-N 2 0 231.343 1.354 20 0 BDADRP C[NH+](C)CC1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000336692758 386365527 /nfs/dbraw/zinc/36/55/27/386365527.db2.gz IRYUFSLUPGDKJV-AWEZNQCLSA-N 2 0 240.391 1.687 20 0 BDADRP CC[C@@H](C(=O)N1CCC[C@H]([NH3+])C1)[NH+](CC)CC ZINC000347362628 386366763 /nfs/dbraw/zinc/36/67/63/386366763.db2.gz CJMUAVZVOHSXMF-RYUDHWBXSA-N 2 0 241.379 1.057 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCOC2)C1 ZINC000336696841 386377248 /nfs/dbraw/zinc/37/72/48/386377248.db2.gz HHAZULWDUPGPNW-STQMWFEESA-N 2 0 226.364 1.297 20 0 BDADRP COCC1(C)CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647989909 386379466 /nfs/dbraw/zinc/37/94/66/386379466.db2.gz DMUYCXISUMPGTQ-GFCCVEGCSA-N 2 0 226.364 1.344 20 0 BDADRP Cc1cc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)nn1C ZINC000414742514 386328723 /nfs/dbraw/zinc/32/87/23/386328723.db2.gz UIDFYLNHQMSOMO-GFCCVEGCSA-N 2 0 236.363 1.289 20 0 BDADRP C[C@@H]([NH3+])[C@@H](C)NCc1c[nH]c(-c2ccccc2)n1 ZINC000415006947 386333572 /nfs/dbraw/zinc/33/35/72/386333572.db2.gz KVYMVYLWVRVXQX-GHMZBOCLSA-N 2 0 244.342 1.902 20 0 BDADRP C[C@H](O)CCC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000336681456 386338493 /nfs/dbraw/zinc/33/84/93/386338493.db2.gz DSBQANXYHWMJLU-KBPBESRZSA-N 2 0 242.407 1.954 20 0 BDADRP CO[C@H](C)C[N@H+](CCn1ccnc1C)C(C)C ZINC000336715792 386442718 /nfs/dbraw/zinc/44/27/18/386442718.db2.gz VDNPDQXEMLPUJR-GFCCVEGCSA-N 2 0 239.363 1.937 20 0 BDADRP COc1cc(C[N@H+](C)C2CC([NH3+])C2)ccc1C ZINC000414768206 386444755 /nfs/dbraw/zinc/44/47/55/386444755.db2.gz HLSWCVVQGWZPKD-UHFFFAOYSA-N 2 0 234.343 1.925 20 0 BDADRP c1ccc([C@H]2C[NH2+]CCN2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647992615 386447824 /nfs/dbraw/zinc/44/78/24/386447824.db2.gz RZWDVTNVNKMEIY-UKRRQHHQSA-N 2 0 245.370 1.242 20 0 BDADRP CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)CCO1 ZINC000414907938 386388015 /nfs/dbraw/zinc/38/80/15/386388015.db2.gz CBSTZZAREYVBND-IHRRRGAJSA-N 2 0 240.391 1.922 20 0 BDADRP Cc1ncccc1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415008906 386394482 /nfs/dbraw/zinc/39/44/82/386394482.db2.gz NIGAAWRAHWBJTH-LSDHHAIUSA-N 2 0 245.370 1.868 20 0 BDADRP C[C@H]([NH3+])CN1CC[C@@H](CNc2ccccn2)C1 ZINC000442643644 386396263 /nfs/dbraw/zinc/39/62/63/386396263.db2.gz ANRPXBBJLSQVFT-RYUDHWBXSA-N 3 0 234.347 1.163 20 0 BDADRP CCN(CC)Cc1nc([C@@H]([NH3+])CC(C)C)no1 ZINC000339387901 386398735 /nfs/dbraw/zinc/39/87/35/386398735.db2.gz QUBVUHQEIPYXNN-JTQLQIEISA-N 2 0 240.351 1.957 20 0 BDADRP C[C@@H]1C[C@H]1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000339408178 386414051 /nfs/dbraw/zinc/41/40/51/386414051.db2.gz REAJDBFHIFVSJM-NEPJUHHUSA-N 2 0 226.364 1.472 20 0 BDADRP NC(=O)c1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000414909730 386414940 /nfs/dbraw/zinc/41/49/40/386414940.db2.gz CJHGSWGZPZDECA-OLZOCXBDSA-N 2 0 247.342 1.145 20 0 BDADRP NC(=O)c1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000414909736 386415242 /nfs/dbraw/zinc/41/52/42/386415242.db2.gz CJHGSWGZPZDECA-STQMWFEESA-N 2 0 247.342 1.145 20 0 BDADRP Cc1ccc(CCC[N@@H+]2CC[C@@](C)(C[NH3+])C2)cn1 ZINC000339408425 386416143 /nfs/dbraw/zinc/41/61/43/386416143.db2.gz BADIXGWVQKFGNW-HNNXBMFYSA-N 2 0 247.386 1.993 20 0 BDADRP Cn1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cn1 ZINC000093452799 386416805 /nfs/dbraw/zinc/41/68/05/386416805.db2.gz BOUIWNRFHBSXAA-MELADBBJSA-N 2 0 248.374 1.430 20 0 BDADRP Fc1cc(F)cc(CC[NH2+]C2CC[NH2+]CC2)c1 ZINC000060718032 386418437 /nfs/dbraw/zinc/41/84/37/386418437.db2.gz LUTDCOUCPOGYGS-UHFFFAOYSA-N 2 0 240.297 1.849 20 0 BDADRP C[C@@H]1C[C@H]1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414762694 386424289 /nfs/dbraw/zinc/42/42/89/386424289.db2.gz AVURYEFEPRQIDM-NDBYEHHHSA-N 2 0 208.349 1.574 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000347481801 386434967 /nfs/dbraw/zinc/43/49/67/386434967.db2.gz ACXGFGNFLYYICX-GFCCVEGCSA-N 2 0 234.347 1.123 20 0 BDADRP C[C@@H]1CCN(CC[NH2+]C(C)(C)C)[C@H](C[NH3+])C1 ZINC000414766521 386435858 /nfs/dbraw/zinc/43/58/58/386435858.db2.gz HTFQTRWNRTVRPO-NEPJUHHUSA-N 2 0 227.396 1.434 20 0 BDADRP CCC[C@H](CC)[NH2+]CCCN1CC[NH2+]CC1 ZINC000414774856 386473159 /nfs/dbraw/zinc/47/31/59/386473159.db2.gz BWKPGNJVBRPRQE-ZDUSSCGKSA-N 2 0 227.396 1.450 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000415042986 386529129 /nfs/dbraw/zinc/52/91/29/386529129.db2.gz RADUBOQFRVTKTN-GHMZBOCLSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000417350657 386487600 /nfs/dbraw/zinc/48/76/00/386487600.db2.gz AULVDFGOAFLERG-MLGHIDQZSA-N 2 0 226.364 1.218 20 0 BDADRP COC(=O)C(C)(C)CC[NH2+][C@H](C)CCCC[NH3+] ZINC000415011703 386489029 /nfs/dbraw/zinc/48/90/29/386489029.db2.gz HXYMCKUAQNVPKD-LLVKDONJSA-N 2 0 244.379 1.683 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccccc1N(C)C ZINC000415015219 386500028 /nfs/dbraw/zinc/50/00/28/386500028.db2.gz AOBVNRNAIKIIRP-LBPRGKRZSA-N 2 0 235.375 1.970 20 0 BDADRP CC[N@H+](CC[C@@H]1CCC[NH+]1C)[C@@H](C)CO ZINC000339634799 386503675 /nfs/dbraw/zinc/50/36/75/386503675.db2.gz GSSSLGQOLUIGIW-RYUDHWBXSA-N 2 0 214.353 1.173 20 0 BDADRP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@](C)(O)C[NH2+]C ZINC000519609614 386506594 /nfs/dbraw/zinc/50/65/94/386506594.db2.gz WSQMMJLPVIXTRI-UTUOFQBUSA-N 2 0 214.353 1.125 20 0 BDADRP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCCCC1 ZINC000415042778 386529839 /nfs/dbraw/zinc/52/98/39/386529839.db2.gz SURJOLVKBRUGFF-FTYKPCCVSA-N 2 0 208.349 1.763 20 0 BDADRP C([C@H]1CC[NH2+]C1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899191 386508381 /nfs/dbraw/zinc/50/83/81/386508381.db2.gz CGSUNCAMWPRBDG-MJBXVCDLSA-N 2 0 237.391 1.060 20 0 BDADRP CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415051554 386509620 /nfs/dbraw/zinc/50/96/20/386509620.db2.gz ZXJGGPPJUOETSS-HZSPNIEDSA-N 2 0 240.391 1.779 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)CCO1 ZINC000415029534 386516221 /nfs/dbraw/zinc/51/62/21/386516221.db2.gz DSQYSFJSOYDSTK-SYQHCUMBSA-N 2 0 240.391 1.907 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CC[NH2+]C(C)(C)C ZINC000415026608 386517010 /nfs/dbraw/zinc/51/70/10/386517010.db2.gz UYWXLJGSCXSLCB-JTQLQIEISA-N 2 0 201.358 1.092 20 0 BDADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccsc2)C1 ZINC000415027620 386517138 /nfs/dbraw/zinc/51/71/38/386517138.db2.gz BIBQLVLTLOUTSA-ONGXEEELSA-N 2 0 210.346 1.965 20 0 BDADRP CCOC[C@@H](C)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415028148 386517462 /nfs/dbraw/zinc/51/74/62/386517462.db2.gz XZCRDEVNUWYTQO-JHJVBQTASA-N 2 0 228.380 1.766 20 0 BDADRP C[C@H](CCc1ccccc1)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415032044 386518657 /nfs/dbraw/zinc/51/86/57/386518657.db2.gz HBWKDWYZBWEQLO-RZFFKMDDSA-N 2 0 230.355 1.815 20 0 BDADRP C[C@@H](Cc1ccccc1F)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415030974 386519233 /nfs/dbraw/zinc/51/92/33/386519233.db2.gz FSUVZYAPUOKFLP-PQFRYHKHSA-N 2 0 234.318 1.564 20 0 BDADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000415031101 386519839 /nfs/dbraw/zinc/51/98/39/386519839.db2.gz GJAIEEUCJBRSJJ-CHWSQXEVSA-N 2 0 204.317 1.904 20 0 BDADRP c1ccc(CSCC[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415030294 386520044 /nfs/dbraw/zinc/52/00/44/386520044.db2.gz DVUDOGHVECSFDV-WDNDVIMCSA-N 2 0 248.395 1.727 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)C1CCCCC1 ZINC000415032143 386520060 /nfs/dbraw/zinc/52/00/60/386520060.db2.gz FRMILFHFJCFKDH-GXTWGEPZSA-N 2 0 240.391 1.923 20 0 BDADRP CC(C)C[C@@H](C)C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415030189 386520093 /nfs/dbraw/zinc/52/00/93/386520093.db2.gz CFOKNZQYXQERHU-CHWSQXEVSA-N 2 0 228.380 1.637 20 0 BDADRP CCCn1cc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cn1 ZINC000415031597 386520115 /nfs/dbraw/zinc/52/01/15/386520115.db2.gz HHVAAESNYXVWDF-WCQYABFASA-N 2 0 236.363 1.510 20 0 BDADRP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415034388 386521307 /nfs/dbraw/zinc/52/13/07/386521307.db2.gz JKMWEJJVIJIJTR-IMSYWVGJSA-N 2 0 236.281 1.915 20 0 BDADRP C[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415035304 386521728 /nfs/dbraw/zinc/52/17/28/386521728.db2.gz KKJBGZMUMHPFBV-FHUSYTEZSA-N 2 0 208.349 1.620 20 0 BDADRP CC(C)[C@H]([NH3+])CNC1CC[NH+](C(C)(C)C)CC1 ZINC000414785894 386523372 /nfs/dbraw/zinc/52/33/72/386523372.db2.gz ABLRBSRSAPUHBG-CYBMUJFWSA-N 2 0 241.423 1.822 20 0 BDADRP CC[C@@H]1C[C@@H](C[NH2+][C@H]2CC[NH2+]C2(C)C)CCO1 ZINC000415037983 386523423 /nfs/dbraw/zinc/52/34/23/386523423.db2.gz LRDCIOADEIILRO-XQQFMLRXSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415037292 386523531 /nfs/dbraw/zinc/52/35/31/386523531.db2.gz MVDWWHGMHXKQPA-POQQGIQPSA-N 2 0 237.391 1.105 20 0 BDADRP COC[C@H](CC(C)C)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415043916 386530465 /nfs/dbraw/zinc/53/04/65/386530465.db2.gz SGIMUTFUQFJLOU-XQQFMLRXSA-N 2 0 228.380 1.765 20 0 BDADRP CCn1cc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cn1 ZINC000414786403 386526461 /nfs/dbraw/zinc/52/64/61/386526461.db2.gz BBEWUVXZWDZDSO-NEPJUHHUSA-N 2 0 222.336 1.120 20 0 BDADRP COCC(C)(C)C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415040284 386527691 /nfs/dbraw/zinc/52/76/91/386527691.db2.gz OWFRTGWXQSPHAD-MNOVXSKESA-N 2 0 214.353 1.376 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)CC[NH2+]1 ZINC000414770134 386456788 /nfs/dbraw/zinc/45/67/88/386456788.db2.gz XTROPQCYCOZFIP-MCIONIFRSA-N 3 0 237.391 1.060 20 0 BDADRP CCOCCC1(C[NH2+][C@@H]2CC[NH2+]C2)CCCC1 ZINC000415082258 386598162 /nfs/dbraw/zinc/59/81/62/386598162.db2.gz CYFOJIFUUCWRBD-CYBMUJFWSA-N 2 0 240.391 1.925 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)CC(C)C ZINC000417363036 386578128 /nfs/dbraw/zinc/57/81/28/386578128.db2.gz LDUYGKWIVYQHFW-HZSPNIEDSA-N 2 0 242.407 1.977 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC000415082382 386598488 /nfs/dbraw/zinc/59/84/88/386598488.db2.gz LQUIJKVEAKRJTD-OLZOCXBDSA-N 2 0 228.380 1.373 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000414802369 386593732 /nfs/dbraw/zinc/59/37/32/386593732.db2.gz VOCPZIMCJBHGKP-MGPQQGTHSA-N 3 0 241.423 1.870 20 0 BDADRP [NH3+]CC1CCC([NH2+]C[C@H]2CCCO2)CC1 ZINC000415080440 386594927 /nfs/dbraw/zinc/59/49/27/386594927.db2.gz JJCOAUYWTMNTDE-HTAVTVPLSA-N 2 0 212.337 1.273 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000519698003 386531578 /nfs/dbraw/zinc/53/15/78/386531578.db2.gz AHOUYIMUKVHDDQ-CHWSQXEVSA-N 3 0 225.380 1.188 20 0 BDADRP CC(C)[C@@H]([NH3+])CN[C@H](C)C[C@H]1CCC[NH2+]1 ZINC000414788578 386533064 /nfs/dbraw/zinc/53/30/64/386533064.db2.gz DNSWQBODEBUUTO-UTUOFQBUSA-N 2 0 213.369 1.090 20 0 BDADRP C[N@H+](C[C@@H]1CCCCO1)C[C@@]1(C)CC[NH2+]C1 ZINC000062911669 386533675 /nfs/dbraw/zinc/53/36/75/386533675.db2.gz MFEHWYIUWSNTSR-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H](C)C1 ZINC000415046922 386535356 /nfs/dbraw/zinc/53/53/56/386535356.db2.gz XYFLUWPEFCXDKX-XARVFOJUSA-N 2 0 208.349 1.619 20 0 BDADRP Cc1cccc(C[N@H+](C)C[C@@H](O)C[NH3+])c1C ZINC000415047495 386535372 /nfs/dbraw/zinc/53/53/72/386535372.db2.gz ARFTUJBHLVOBBI-ZDUSSCGKSA-N 2 0 222.332 1.055 20 0 BDADRP CCC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000062972767 386536144 /nfs/dbraw/zinc/53/61/44/386536144.db2.gz NAJOLPGTLSIFOY-NEPJUHHUSA-N 2 0 241.379 1.057 20 0 BDADRP CCCn1cc(CN[C@@H](C[NH3+])C(C)(C)C)cn1 ZINC000415056490 386538296 /nfs/dbraw/zinc/53/82/96/386538296.db2.gz QSCQHAFIWBBOOD-LBPRGKRZSA-N 2 0 238.379 1.756 20 0 BDADRP COCc1ccccc1C[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC000415084241 386596925 /nfs/dbraw/zinc/59/69/25/386596925.db2.gz GIVVFRHYMIGMDR-OAHLLOKOSA-N 2 0 248.370 1.922 20 0 BDADRP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C[C@@H]1CCSC1 ZINC000415057770 386539305 /nfs/dbraw/zinc/53/93/05/386539305.db2.gz UBCAMMOSGVRQRE-GUBZILKMSA-N 2 0 200.351 1.161 20 0 BDADRP COC(=O)C(C)(C)CCN[C@H]1CCCC[NH2+]C1 ZINC000415070701 386541863 /nfs/dbraw/zinc/54/18/63/386541863.db2.gz JBILZPFMZFQMJM-NSHDSACASA-N 2 0 242.363 1.307 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415059974 386542280 /nfs/dbraw/zinc/54/22/80/386542280.db2.gz SWCJGCHFIMAAAB-FRRDWIJNSA-N 2 0 227.396 1.277 20 0 BDADRP CC(C)(O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063200388 386545758 /nfs/dbraw/zinc/54/57/58/386545758.db2.gz XNODCYXCHVRORD-LBPRGKRZSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@H]1C[C@@H](C[NH2+]CCC[NH2+]C2CC2)CC[NH2+]1 ZINC000415067347 386546888 /nfs/dbraw/zinc/54/68/88/386546888.db2.gz KRNROWAETFWZKL-RYUDHWBXSA-N 3 0 225.380 1.106 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+]CCC[NH2+]C2CC2)CCO1 ZINC000415066942 386549271 /nfs/dbraw/zinc/54/92/71/386549271.db2.gz JQTTUBCWHKSOQD-TZMCWYRMSA-N 2 0 240.391 1.923 20 0 BDADRP COc1cccc(CCC[NH2+]C2CC[NH2+]CC2)c1 ZINC000415084399 386597147 /nfs/dbraw/zinc/59/71/47/386597147.db2.gz RDWGLXJHXPDIKQ-UHFFFAOYSA-N 2 0 248.370 1.969 20 0 BDADRP CC[NH+](CC)CCN[C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000336780472 386552421 /nfs/dbraw/zinc/55/24/21/386552421.db2.gz RKQDHIZCNXUNFI-QWHCGFSZSA-N 2 0 227.396 1.258 20 0 BDADRP CC(C)[C@@H]([NH3+])C[NH2+]C1CCC(C[NH3+])CC1 ZINC000414794279 386557711 /nfs/dbraw/zinc/55/77/11/386557711.db2.gz LQOUCJJFZBSJNW-MCIGGMRASA-N 3 0 213.369 1.077 20 0 BDADRP [NH3+]C[C@H]1c2ccccc2CCN1C[C@@H]1CC[NH2+]C1 ZINC000647995783 386558917 /nfs/dbraw/zinc/55/89/17/386558917.db2.gz GFSFBTOVBKURQZ-DOMZBBRYSA-N 2 0 245.370 1.154 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+]C[C@@]2(C)CCC[NH2+]C2)CC[NH2+]1 ZINC000414919825 386564475 /nfs/dbraw/zinc/56/44/75/386564475.db2.gz XWYZNRUVJIDVKW-MCIONIFRSA-N 3 0 239.407 1.354 20 0 BDADRP C[C@@H]1CCCC[C@H]1C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000415072058 386564465 /nfs/dbraw/zinc/56/44/65/386564465.db2.gz VFXHSUYHKDJVSS-WOPDTQHZSA-N 2 0 214.353 1.064 20 0 BDADRP CC[C@@H]1C[C@@H](C[NH2+]C[C@H]([NH3+])C(C)C)CCO1 ZINC000414796176 386567765 /nfs/dbraw/zinc/56/77/65/386567765.db2.gz NSVWXZBLWPFQPZ-XQQFMLRXSA-N 2 0 228.380 1.765 20 0 BDADRP C[C@@]1(C[NH2+]CC2(CCO)CCCC2)CC[NH2+]C1 ZINC000415075619 386569618 /nfs/dbraw/zinc/56/96/18/386569618.db2.gz BTXCEWHNYZUQFE-CYBMUJFWSA-N 2 0 240.391 1.518 20 0 BDADRP CC(C)C[C@H]([NH3+])C[N@H+](CC1CCC1)[C@@H](C)CO ZINC000415110833 386620416 /nfs/dbraw/zinc/62/04/16/386620416.db2.gz SXPCFTFCQJBNTO-JSGCOSHPSA-N 2 0 242.407 1.843 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC[NH2+]1 ZINC000414811861 386626471 /nfs/dbraw/zinc/62/64/71/386626471.db2.gz WTYJSZJKDJRABW-YIYPIFLZSA-N 3 0 239.407 1.482 20 0 BDADRP C[NH2+]CCC[N@H+](C)Cc1cccc2c[nH]nc21 ZINC000415124824 386626803 /nfs/dbraw/zinc/62/68/03/386626803.db2.gz CQUJOIIYBAIKND-UHFFFAOYSA-N 2 0 232.331 1.604 20 0 BDADRP Cc1ccc(C[C@H](CO)[NH2+]C2CC[NH2+]CC2)cc1 ZINC000415115999 386630527 /nfs/dbraw/zinc/63/05/27/386630527.db2.gz YUSKZBOTZSKJBA-OAHLLOKOSA-N 2 0 248.370 1.240 20 0 BDADRP CCCC[C@@H](CN)[NH2+]C1CCC(C[NH3+])CC1 ZINC000414813732 386636821 /nfs/dbraw/zinc/63/68/21/386636821.db2.gz MSWWRSDACOZMTL-BPCQOVAHSA-N 3 0 227.396 1.611 20 0 BDADRP C[C@@H]1[C@H](CO)CCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000415139989 386639798 /nfs/dbraw/zinc/63/97/98/386639798.db2.gz MLGRUQRRYVFGLM-UPJWGTAASA-N 2 0 226.364 1.079 20 0 BDADRP CC[C@@H]1C[C@@H](C[NH2+][C@@H]2CCCN[C@@H]2C)CCO1 ZINC000415132959 386640439 /nfs/dbraw/zinc/64/04/39/386640439.db2.gz DEFFGIIIPBKEIV-XJFOESAGSA-N 2 0 240.391 1.922 20 0 BDADRP [NH3+]C[C@@H]1C[N@H+](CC2CCCCC2)CCCO1 ZINC000313343372 386648410 /nfs/dbraw/zinc/64/84/10/386648410.db2.gz BMSIMGUSPZARPL-CYBMUJFWSA-N 2 0 226.364 1.616 20 0 BDADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CCO[C@H]2C)cc1 ZINC000414815577 386649098 /nfs/dbraw/zinc/64/90/98/386649098.db2.gz XQKJDJWAFYMYGN-MJVIPROJSA-N 2 0 234.343 1.973 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NCC(C)(C)[NH3+])cc1 ZINC000414803061 386599659 /nfs/dbraw/zinc/59/96/59/386599659.db2.gz JAKNUKKGVMBPGH-SECBINFHSA-N 2 0 207.321 1.856 20 0 BDADRP CC(C)([NH3+])CNCc1ccc(-n2ccnc2)cc1 ZINC000414805393 386603779 /nfs/dbraw/zinc/60/37/79/386603779.db2.gz OUHFURRLFRVPBX-UHFFFAOYSA-N 3 0 244.342 1.699 20 0 BDADRP CCC([NH3+])(CC)CN[C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000414804025 386606065 /nfs/dbraw/zinc/60/60/65/386606065.db2.gz DQCWMSRZYSYRKH-RYUDHWBXSA-N 2 0 227.396 1.624 20 0 BDADRP CC1(C)CC[C@H]1[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000335489429 386607700 /nfs/dbraw/zinc/60/77/00/386607700.db2.gz WIFZFTLKGOHFGO-GHMZBOCLSA-N 2 0 212.337 1.143 20 0 BDADRP CC1(C)CC[C@@H]1[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000335489430 386608007 /nfs/dbraw/zinc/60/80/07/386608007.db2.gz WIFZFTLKGOHFGO-MNOVXSKESA-N 2 0 212.337 1.143 20 0 BDADRP Cc1c(C[NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)cnn1C ZINC000415099663 386608593 /nfs/dbraw/zinc/60/85/93/386608593.db2.gz GXUFGXHQKZAUEH-JQWIXIFHSA-N 2 0 236.363 1.206 20 0 BDADRP C[NH2+][C@@H](C)Cc1noc([C@H]2CC[NH2+][C@@H](C)C2)n1 ZINC000520228501 386608867 /nfs/dbraw/zinc/60/88/67/386608867.db2.gz REEZWYGNJYNQDN-GUBZILKMSA-N 2 0 238.335 1.076 20 0 BDADRP Cc1cn[nH]c1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000414807857 386612386 /nfs/dbraw/zinc/61/23/86/386612386.db2.gz RPNJBTPMTTYTEF-WDEREUQCSA-N 2 0 222.336 1.325 20 0 BDADRP C[C@]1(C[NH2+]CCc2ccccc2F)CC[NH2+]C1 ZINC000415093290 386612705 /nfs/dbraw/zinc/61/27/05/386612705.db2.gz VDISFXJZVUFXJM-CQSZACIVSA-N 2 0 236.334 1.957 20 0 BDADRP C[C@@]1(C[NH2+][C@@H](CO)Cc2ccccc2)CC[NH2+]C1 ZINC000415108294 386616997 /nfs/dbraw/zinc/61/69/97/386616997.db2.gz PVHFXQZDRMVRTI-HUUCEWRRSA-N 2 0 248.370 1.179 20 0 BDADRP CC[NH+](CC)[C@@H]1CCN(CCC[NH2+]C)C1 ZINC000062967712 386665126 /nfs/dbraw/zinc/66/51/26/386665126.db2.gz DOQRVOKLGHXOAM-GFCCVEGCSA-N 2 0 213.369 1.012 20 0 BDADRP CN(CC1([NH+](C)C)CCC1)C[C@]1(C)CC[NH2+]C1 ZINC000097937208 386667787 /nfs/dbraw/zinc/66/77/87/386667787.db2.gz NHEYIEJUXGPWPE-CYBMUJFWSA-N 2 0 239.407 1.402 20 0 BDADRP Cc1csc(C(C)(C)[NH2+]CCOCC[NH3+])n1 ZINC000357073132 386711551 /nfs/dbraw/zinc/71/15/51/386711551.db2.gz DKOILQMGPCSJRE-UHFFFAOYSA-N 2 0 243.376 1.252 20 0 BDADRP CC1(C)CCC[NH2+][C@H]1CNC[C@H]1CCC[NH2+]C1 ZINC000414927233 386686512 /nfs/dbraw/zinc/68/65/12/386686512.db2.gz LUGDRSAQGCRCRZ-STQMWFEESA-N 2 0 239.407 1.354 20 0 BDADRP CCCn1cc(C[NH2+]CC[C@H]2CC[NH2+]C2)cn1 ZINC000414825129 386688742 /nfs/dbraw/zinc/68/87/42/386688742.db2.gz BTEVIAAPGLLCMO-GFCCVEGCSA-N 2 0 236.363 1.382 20 0 BDADRP C[NH+](C)CC1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000042388492 386689842 /nfs/dbraw/zinc/68/98/42/386689842.db2.gz QMORJSNJSPDHOF-CQSZACIVSA-N 3 0 239.407 1.260 20 0 BDADRP Cn1ncc(Cl)c1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414825465 386691851 /nfs/dbraw/zinc/69/18/51/386691851.db2.gz CGKJYDOJQMSLGP-VIFPVBQESA-N 2 0 242.754 1.163 20 0 BDADRP C[NH+](C)CC1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000042388496 386692879 /nfs/dbraw/zinc/69/28/79/386692879.db2.gz QMORJSNJSPDHOF-AWEZNQCLSA-N 3 0 239.407 1.260 20 0 BDADRP C[N@H+](CCOCC[NH3+])[C@H]1CCc2ccccc21 ZINC000357022671 386693600 /nfs/dbraw/zinc/69/36/00/386693600.db2.gz BJVHRYDBYQDTLF-AWEZNQCLSA-N 2 0 234.343 1.581 20 0 BDADRP CCC[C@@H]1[C@H](C)CCC[N@@H+]1CCOCC[NH3+] ZINC000357071208 386711852 /nfs/dbraw/zinc/71/18/52/386711852.db2.gz JNGSCYUIFPOOLH-CHWSQXEVSA-N 2 0 228.380 1.862 20 0 BDADRP Cc1[nH]nc2ncc(C[NH2+]CC[C@@H](C)[NH3+])cc12 ZINC000414827695 386694732 /nfs/dbraw/zinc/69/47/32/386694732.db2.gz YEMPLYIJTKRLFX-MRVPVSSYSA-N 2 0 233.319 1.093 20 0 BDADRP [NH3+][C@@H](CN[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000414828292 386696670 /nfs/dbraw/zinc/69/66/70/386696670.db2.gz IOPFKXQSKOJQIS-KBPBESRZSA-N 2 0 233.359 1.418 20 0 BDADRP C[C@@H]([NH3+])CC[NH2+]C[C@@H](C)CC1CCOCC1 ZINC000414828057 386696921 /nfs/dbraw/zinc/69/69/21/386696921.db2.gz YVHZTWHDUFOMIK-NWDGAFQWSA-N 2 0 228.380 1.766 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN[C@@H](C[NH3+])C1CCCCC1 ZINC000414830064 386706052 /nfs/dbraw/zinc/70/60/52/386706052.db2.gz ALHYVZQBWZUOBW-KGLIPLIRSA-N 2 0 241.423 1.857 20 0 BDADRP CC(C)(C)[NH2+]CC[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414836568 386732819 /nfs/dbraw/zinc/73/28/19/386732819.db2.gz JPWUMLIHWTVNRU-LBPRGKRZSA-N 2 0 227.396 1.354 20 0 BDADRP [NH3+]CCN(CCc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000647961772 386733782 /nfs/dbraw/zinc/73/37/82/386733782.db2.gz IADHAQIBCMTGIY-OAHLLOKOSA-N 2 0 247.386 1.099 20 0 BDADRP C[C@]1(CNC[C@H]2[NH2+]CCCC2(C)C)CC[NH2+]C1 ZINC000414928422 386714375 /nfs/dbraw/zinc/71/43/75/386714375.db2.gz NBSCGIJPNCBQEZ-OCCSQVGLSA-N 2 0 239.407 1.354 20 0 BDADRP CC[NH+]1CCN(CCC[NH2+]CC2(F)CC2)CC1 ZINC000526984267 386715649 /nfs/dbraw/zinc/71/56/49/386715649.db2.gz XKHSAXUUYWYGAN-UHFFFAOYSA-N 2 0 243.370 1.106 20 0 BDADRP CCCC[C@H](COC)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414832703 386720617 /nfs/dbraw/zinc/72/06/17/386720617.db2.gz OPKCKHVCGMDRLX-QWHCGFSZSA-N 2 0 228.380 1.781 20 0 BDADRP [NH3+]C[C@H](NC[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000414839620 386746543 /nfs/dbraw/zinc/74/65/43/386746543.db2.gz LQEWAICKOQSVLX-OCCSQVGLSA-N 2 0 239.407 1.483 20 0 BDADRP C[C@@H](Cn1cccn1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414842025 386748896 /nfs/dbraw/zinc/74/88/96/386748896.db2.gz OQZUQHCYKAKIJP-STQMWFEESA-N 2 0 236.363 1.251 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+]C1CCN(CC(F)F)CC1 ZINC000414840857 386750894 /nfs/dbraw/zinc/75/08/94/386750894.db2.gz NSCDSGUFICOAEW-JTQLQIEISA-N 2 0 249.349 1.161 20 0 BDADRP CC(C)(C)[NH2+]CCNCC1([NH3+])CCCCC1 ZINC000414840864 386751718 /nfs/dbraw/zinc/75/17/18/386751718.db2.gz KPYBEQDBPIHRJK-UHFFFAOYSA-N 2 0 227.396 1.626 20 0 BDADRP COC[C@H](CC(C)C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000336761493 386766065 /nfs/dbraw/zinc/76/60/65/386766065.db2.gz KOIJBXYJAKRQJE-STQMWFEESA-N 2 0 230.396 1.977 20 0 BDADRP C[NH+](C)CCc1ccc(NC(=O)C2([NH3+])CC2)cc1 ZINC000269247915 386767979 /nfs/dbraw/zinc/76/79/79/386767979.db2.gz NMXMFBNTHYXQDA-UHFFFAOYSA-N 2 0 247.342 1.221 20 0 BDADRP COC(=O)C1CCC([NH2+]CCC[NH+](C)C)CC1 ZINC000192437585 386767989 /nfs/dbraw/zinc/76/79/89/386767989.db2.gz SGGMXUIGLVYPLO-UHFFFAOYSA-N 2 0 242.363 1.260 20 0 BDADRP CC[N@@H+]1CC[C@H](NC[C@@H](C)C[NH2+]C)[C@H](C)C1 ZINC000414838846 386741659 /nfs/dbraw/zinc/74/16/59/386741659.db2.gz LRNKLZXCOZAADD-XQQFMLRXSA-N 2 0 227.396 1.162 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccccc1F ZINC000122305470 386742011 /nfs/dbraw/zinc/74/20/11/386742011.db2.gz RTTHBULMCQWFEZ-GHMZBOCLSA-N 2 0 222.307 1.995 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccc2c[nH]nc21 ZINC000334143246 386743645 /nfs/dbraw/zinc/74/36/45/386743645.db2.gz RAPFSMSVVRMCSR-GHMZBOCLSA-N 2 0 244.342 1.732 20 0 BDADRP C[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000192469868 386773174 /nfs/dbraw/zinc/77/31/74/386773174.db2.gz YWMZWJDEXLUWDA-MBNYWOFBSA-N 2 0 238.375 1.485 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000417840794 386800817 /nfs/dbraw/zinc/80/08/17/386800817.db2.gz SKOUQSUKNFCPMH-DGCLKSJQSA-N 2 0 241.379 1.138 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CCCCCO)[C@H](C)C1 ZINC000192935120 386803787 /nfs/dbraw/zinc/80/37/87/386803787.db2.gz NCFYUCDKFQUMNX-OLZOCXBDSA-N 2 0 228.380 1.469 20 0 BDADRP CO[C@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000300039375 386803946 /nfs/dbraw/zinc/80/39/46/386803946.db2.gz GTXOWTFNCRTIRZ-NEPJUHHUSA-N 2 0 212.337 1.097 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+]Cc1cccc(F)c1 ZINC000414847124 386830972 /nfs/dbraw/zinc/83/09/72/386830972.db2.gz VGKKDZLGDFVSSY-JTQLQIEISA-N 2 0 210.296 1.771 20 0 BDADRP CS[C@@H]1CC[C@H]1[NH2+]CCC[NH+](C)C ZINC000425334378 386847060 /nfs/dbraw/zinc/84/70/60/386847060.db2.gz DQLBJWVSSMNRQQ-NXEZZACHSA-N 2 0 202.367 1.422 20 0 BDADRP C[C@@H](O)C[C@@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000341289178 386863807 /nfs/dbraw/zinc/86/38/07/386863807.db2.gz URNSNESAUAEKJL-VXGBXAGGSA-N 2 0 242.407 1.998 20 0 BDADRP Cc1cnc(CN[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)n1C ZINC000341291106 386863905 /nfs/dbraw/zinc/86/39/05/386863905.db2.gz RJIDSNQERQMFBH-CMPLNLGQSA-N 2 0 248.374 1.443 20 0 BDADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)C[C@@H]1CCCO1 ZINC000051919141 386872399 /nfs/dbraw/zinc/87/23/99/386872399.db2.gz DQRRMQIZWMGART-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2O)c2ccccc21 ZINC000331598213 386874709 /nfs/dbraw/zinc/87/47/09/386874709.db2.gz NXFMYDPCONJKEE-REWJHTLYSA-N 2 0 232.327 1.634 20 0 BDADRP C[C@H](CC(N)=O)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000358028179 386881290 /nfs/dbraw/zinc/88/12/90/386881290.db2.gz WUPVHVLVLXTDQC-SNVBAGLBSA-N 2 0 241.379 1.103 20 0 BDADRP Cc1ccn2c(CN3CC[NH2+]C[C@@H]3C)cnc2c1 ZINC000334850975 386900685 /nfs/dbraw/zinc/90/06/85/386900685.db2.gz HCOPTUODHHVVGV-LBPRGKRZSA-N 2 0 244.342 1.436 20 0 BDADRP COC[C@]1(C[NH2+][C@@H]2CCCC[C@H]2C)CCC[NH2+]1 ZINC000414942246 386900870 /nfs/dbraw/zinc/90/08/70/386900870.db2.gz JVIHAXWYQFRPDX-MGPQQGTHSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)NCC(C)(C)[NH3+] ZINC000331867376 386919949 /nfs/dbraw/zinc/91/99/49/386919949.db2.gz AZEKNRXMKCLAMZ-NWDGAFQWSA-N 2 0 227.396 1.624 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc2c1NCC2 ZINC000334858358 386911558 /nfs/dbraw/zinc/91/15/58/386911558.db2.gz RVARNAHTQDOLSX-RISCZKNCSA-N 2 0 245.370 1.742 20 0 BDADRP Cc1cnc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)nc1 ZINC000358392787 386947118 /nfs/dbraw/zinc/94/71/18/386947118.db2.gz ZCLJHGQAJQIMSP-CHWSQXEVSA-N 2 0 248.374 1.400 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]Cc2cccs2)CC[NH2+]1 ZINC000334865347 386921392 /nfs/dbraw/zinc/92/13/92/386921392.db2.gz STOZXRAPMPTEPT-NXEZZACHSA-N 2 0 210.346 1.978 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000331912457 386925103 /nfs/dbraw/zinc/92/51/03/386925103.db2.gz GBDFRPZGBARYSJ-AVGNSLFASA-N 2 0 228.380 1.787 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2(CCO)CCC2)CC[N@@H+]1C ZINC000358314108 386932519 /nfs/dbraw/zinc/93/25/19/386932519.db2.gz FAMIASFSXBLLBT-CHWSQXEVSA-N 2 0 240.391 1.611 20 0 BDADRP [NH3+]Cc1ccc(N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000334873296 386934937 /nfs/dbraw/zinc/93/49/37/386934937.db2.gz GMNAZHOAWDAADO-GFCCVEGCSA-N 2 0 219.332 1.699 20 0 BDADRP Cc1cnc(CC[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)nc1 ZINC000358392792 386947780 /nfs/dbraw/zinc/94/77/80/386947780.db2.gz ZCLJHGQAJQIMSP-OLZOCXBDSA-N 2 0 248.374 1.400 20 0 BDADRP Cc1ncc(C[NH2+]CC2(O)CCCCC2)n1C ZINC000516665145 386940751 /nfs/dbraw/zinc/94/07/51/386940751.db2.gz TVRQRDWZKFNUDD-UHFFFAOYSA-N 2 0 237.347 1.513 20 0 BDADRP C[NH+](C)CC[C@@H](NCc1ncc[nH]1)C(C)(C)C ZINC000116378713 386944007 /nfs/dbraw/zinc/94/40/07/386944007.db2.gz RUKQWFYWHPJNLZ-LLVKDONJSA-N 2 0 238.379 1.866 20 0 BDADRP C[C@]1(CN[C@H]2CCCCC[C@@H]2[NH3+])CCC[NH2+]C1 ZINC000332286292 386969574 /nfs/dbraw/zinc/96/95/74/386969574.db2.gz GSYZKLZELDFGFW-IHRRRGAJSA-N 2 0 239.407 1.626 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CC1(CO)CCC1 ZINC000332414247 386975703 /nfs/dbraw/zinc/97/57/03/386975703.db2.gz AWSNZCAAXSNEME-NEPJUHHUSA-N 2 0 226.364 1.256 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CC1(CO)CCC1 ZINC000332414250 386977128 /nfs/dbraw/zinc/97/71/28/386977128.db2.gz AWSNZCAAXSNEME-VXGBXAGGSA-N 2 0 226.364 1.256 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000395201223 386985351 /nfs/dbraw/zinc/98/53/51/386985351.db2.gz VZVBGVPFLFMIPN-BFHYXJOUSA-N 2 0 241.423 1.837 20 0 BDADRP CS[C@H](CO)[C@H](C)[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000332054033 386950222 /nfs/dbraw/zinc/95/02/22/386950222.db2.gz WTICUNPXQWCCEV-FIQHERPVSA-N 2 0 246.420 1.348 20 0 BDADRP Cc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)no1 ZINC000334978885 387066412 /nfs/dbraw/zinc/06/64/12/387066412.db2.gz CTWLPCFIZHRRMG-OLZOCXBDSA-N 2 0 249.358 1.805 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000107980474 387038469 /nfs/dbraw/zinc/03/84/69/387038469.db2.gz BRSCWPUTIRHHJA-ZYHUDNBSSA-N 2 0 222.307 1.995 20 0 BDADRP c1cc2nccc(N[C@H]3CC[NH2+]C3)c2s1 ZINC000334979827 387066634 /nfs/dbraw/zinc/06/66/34/387066634.db2.gz JLWHTUOJODKYFD-QMMMGPOBSA-N 2 0 219.313 1.492 20 0 BDADRP CCCC[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000369357923 387041409 /nfs/dbraw/zinc/04/14/09/387041409.db2.gz IUQKOMLHCLYNRI-CQSZACIVSA-N 2 0 239.407 1.498 20 0 BDADRP C[C@H]([NH3+])CN1CC[C@@H](n2ncc3ccccc32)C1 ZINC000334966840 387049104 /nfs/dbraw/zinc/04/91/04/387049104.db2.gz IBBAOUSMWIBKES-WCQYABFASA-N 2 0 244.342 1.630 20 0 BDADRP CC[C@H](O)C[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000336764471 387051493 /nfs/dbraw/zinc/05/14/93/387051493.db2.gz QAKLUXQLXGHQIE-WOPDTQHZSA-N 2 0 214.353 1.077 20 0 BDADRP Cc1cc(N(C)C[C@@H]2CCC[N@@H+]2C)cc[nH+]1 ZINC000334970269 387054769 /nfs/dbraw/zinc/05/47/69/387054769.db2.gz SZNHNPLJAFTFCO-ZDUSSCGKSA-N 2 0 219.332 1.920 20 0 BDADRP C[C@H]([NH3+])CCC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000070315024 387062824 /nfs/dbraw/zinc/06/28/24/387062824.db2.gz QROIDWRQEBUHEL-RYUDHWBXSA-N 2 0 241.379 1.104 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000333281896 387024754 /nfs/dbraw/zinc/02/47/54/387024754.db2.gz MQHGKIRLNAYKIN-DRZSPHRISA-N 2 0 248.374 1.374 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000333281895 387025623 /nfs/dbraw/zinc/02/56/23/387025623.db2.gz MQHGKIRLNAYKIN-CYZMBNFOSA-N 2 0 248.374 1.374 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccc2c1NCC2 ZINC000336225315 387066234 /nfs/dbraw/zinc/06/62/34/387066234.db2.gz ICOAEKLRCQPGON-VXGBXAGGSA-N 2 0 245.370 1.824 20 0 BDADRP C(C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)[C@@H]1CCCO1 ZINC000334994870 387086139 /nfs/dbraw/zinc/08/61/39/387086139.db2.gz VSXCLHJKXVVSFR-KBPBESRZSA-N 2 0 238.375 1.631 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2COC(C)(C)C2)C1 ZINC000418088555 387096594 /nfs/dbraw/zinc/09/65/94/387096594.db2.gz KKLMSMORRRGMAZ-OLZOCXBDSA-N 2 0 240.391 1.875 20 0 BDADRP C[N@@H+]1CC[C@H](N[C@H]2CCC[NH2+]C2)[C@H]2CCC[C@@H]21 ZINC000423300473 387132605 /nfs/dbraw/zinc/13/26/05/387132605.db2.gz DYJPYWUVRHCKHM-CRWXNKLISA-N 2 0 237.391 1.201 20 0 BDADRP C[C@@H]([NH2+]C1CC(C)(F)C1)[C@H]1CC[NH2+]C1 ZINC000335007525 387103109 /nfs/dbraw/zinc/10/31/09/387103109.db2.gz PUYGNHBEJQBGDV-MFQSTILNSA-N 2 0 200.301 1.465 20 0 BDADRP C[C@@H]([NH2+]C1CC(C)(F)C1)[C@@H]1CC[NH2+]C1 ZINC000335007527 387103112 /nfs/dbraw/zinc/10/31/12/387103112.db2.gz PUYGNHBEJQBGDV-NKVNRFPTSA-N 2 0 200.301 1.465 20 0 BDADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CN[C@@H]1CC[NH2+]C1 ZINC000335008952 387103194 /nfs/dbraw/zinc/10/31/94/387103194.db2.gz FKCJYXLMGBBTFM-NEPJUHHUSA-N 2 0 225.380 1.058 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC1=CCOCC1 ZINC000335010651 387104840 /nfs/dbraw/zinc/10/48/40/387104840.db2.gz JBCMLIIDTSJAAZ-CHWSQXEVSA-N 2 0 224.348 1.583 20 0 BDADRP c1c[nH]c(CNc2nc3ccccc3[nH]2)n1 ZINC000070646536 387120801 /nfs/dbraw/zinc/12/08/01/387120801.db2.gz CIUNKPWVGZGFGG-UHFFFAOYSA-N 2 0 213.244 1.898 20 0 BDADRP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc(F)cn1 ZINC000423299559 387129646 /nfs/dbraw/zinc/12/96/46/387129646.db2.gz BWLUQMDQUOIPMN-DTWKUNHWSA-N 2 0 211.284 1.466 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000359210971 387068143 /nfs/dbraw/zinc/06/81/43/387068143.db2.gz FBJUIVPBROZADS-LBPRGKRZSA-N 3 0 239.407 1.435 20 0 BDADRP COC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353391373 387192297 /nfs/dbraw/zinc/19/22/97/387192297.db2.gz CDNJBYSEHDOWBB-UPJWGTAASA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000423307352 387143995 /nfs/dbraw/zinc/14/39/95/387143995.db2.gz MZIYNYPJMBIYIE-IINYFYTJSA-N 2 0 234.343 1.954 20 0 BDADRP CCC[NH2+]CCN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423310222 387145762 /nfs/dbraw/zinc/14/57/62/387145762.db2.gz NEBNVNHBPWXENN-NWDGAFQWSA-N 2 0 213.369 1.106 20 0 BDADRP CC[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ccncc1 ZINC000423310220 387147233 /nfs/dbraw/zinc/14/72/33/387147233.db2.gz RKZSHTFNVQYBIM-CMPLNLGQSA-N 2 0 207.321 1.717 20 0 BDADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NC(CC)(CC)C[NH3+] ZINC000353179495 387151290 /nfs/dbraw/zinc/15/12/90/387151290.db2.gz BXKVUEFQBIRPEM-GHMZBOCLSA-N 2 0 241.379 1.008 20 0 BDADRP CSCC1CCC([NH2+]CC2C[NH2+]C2)CC1 ZINC000423314717 387153683 /nfs/dbraw/zinc/15/36/83/387153683.db2.gz HPDIEPNBQMRIJW-UHFFFAOYSA-N 2 0 228.405 1.717 20 0 BDADRP CCN1C[C@H](C)[C@H]([NH2+]CC2(C)CC[NH2+]CC2)C1 ZINC000423318658 387160235 /nfs/dbraw/zinc/16/02/35/387160235.db2.gz CTZFCLCFXNKQRY-QWHCGFSZSA-N 3 0 239.407 1.306 20 0 BDADRP COCC[C@H]1CCC[C@H]1[NH2+]CC1([NH3+])CCC1 ZINC000423319417 387161275 /nfs/dbraw/zinc/16/12/75/387161275.db2.gz FFYDFZHUGRQJLY-VXGBXAGGSA-N 2 0 226.364 1.663 20 0 BDADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)[C@H]1CCC[NH2+]1 ZINC000423322918 387164427 /nfs/dbraw/zinc/16/44/27/387164427.db2.gz HLZGRRMOXCMWSV-NWDGAFQWSA-N 3 0 225.380 1.106 20 0 BDADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000423327482 387169641 /nfs/dbraw/zinc/16/96/41/387169641.db2.gz NFNPRXRPVKVRTK-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP [NH3+][C@@H](CN[C@H]1C[C@@H]([NH3+])c2ccccc21)C1CC1 ZINC000423330104 387174037 /nfs/dbraw/zinc/17/40/37/387174037.db2.gz TXGFOIKJHPDMFB-RDBSUJKOSA-N 2 0 231.343 1.458 20 0 BDADRP CC1(C)[C@H]([NH2+]C[C@H]([NH3+])C2CC2)[C@H]2CCCO[C@@H]21 ZINC000423331057 387176340 /nfs/dbraw/zinc/17/63/40/387176340.db2.gz UOOCEGVEIDCCMD-XQHKEYJVSA-N 2 0 238.375 1.517 20 0 BDADRP C[C@@H]1C[C@@H](NC[C@@]2(C)CCC[NH2+]C2)CC[N@@H+]1C ZINC000423335894 387183076 /nfs/dbraw/zinc/18/30/76/387183076.db2.gz SIAGTIOZCLHHGI-RDBSUJKOSA-N 2 0 239.407 1.448 20 0 BDADRP C1=C(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC[NH2+]C1 ZINC000423335827 387184408 /nfs/dbraw/zinc/18/44/08/387184408.db2.gz GPJUBIFURXOCSV-MGPQQGTHSA-N 2 0 248.370 1.453 20 0 BDADRP COCC1CCC([NH2+]CC2([NH3+])CCC2)CC1 ZINC000423337114 387185115 /nfs/dbraw/zinc/18/51/15/387185115.db2.gz TUKYDXDOJPFQCG-UHFFFAOYSA-N 2 0 226.364 1.663 20 0 BDADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccn(C)n1 ZINC000423337228 387186188 /nfs/dbraw/zinc/18/61/88/387186188.db2.gz UASFAICDIYKHEI-NSHDSACASA-N 2 0 236.363 1.460 20 0 BDADRP C[C@H](Cc1ccoc1)[NH2+]CC1([NH3+])CCC1 ZINC000423337119 387186317 /nfs/dbraw/zinc/18/63/17/387186317.db2.gz TULPWGLMSUYSFN-SNVBAGLBSA-N 2 0 208.305 1.682 20 0 BDADRP CC[C@H]([NH2+]CCCC[NH3+])c1ccncc1 ZINC000423339025 387187161 /nfs/dbraw/zinc/18/71/61/387187161.db2.gz WGSDPRIUZNELQP-LBPRGKRZSA-N 2 0 207.321 1.861 20 0 BDADRP CC(C)[NH+]1CCC(N[C@@H](C)c2cn[nH]c2)CC1 ZINC000228831726 387133144 /nfs/dbraw/zinc/13/31/44/387133144.db2.gz ODNFTYFHGLXADF-NSHDSACASA-N 2 0 236.363 1.933 20 0 BDADRP CCCCOCC[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000228986792 387136168 /nfs/dbraw/zinc/13/61/68/387136168.db2.gz ZVCAIADUJZJGST-OLZOCXBDSA-N 2 0 228.380 1.720 20 0 BDADRP CC[C@H]([NH2+]CC1C[NH2+]C1)c1ccc(OC)cc1 ZINC000423303698 387136387 /nfs/dbraw/zinc/13/63/87/387136387.db2.gz MNTDYIFHHUXEMR-AWEZNQCLSA-N 2 0 234.343 1.955 20 0 BDADRP CC[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc(OC)cc1 ZINC000423303699 387136659 /nfs/dbraw/zinc/13/66/59/387136659.db2.gz MNTDYIFHHUXEMR-CQSZACIVSA-N 2 0 234.343 1.955 20 0 BDADRP CC(C)(CC(N)=O)[NH2+]CCC[NH+]1CCCCC1 ZINC000119494066 387138439 /nfs/dbraw/zinc/13/84/39/387138439.db2.gz LTQQVPJTEWCPJM-UHFFFAOYSA-N 2 0 241.379 1.106 20 0 BDADRP Cc1ccc([C@H](C)[NH2+]CC2C[NH2+]C2)s1 ZINC000423305317 387139042 /nfs/dbraw/zinc/13/90/42/387139042.db2.gz QORIMRXSBDWBFS-VIFPVBQESA-N 2 0 210.346 1.927 20 0 BDADRP OCCCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000229107269 387140035 /nfs/dbraw/zinc/14/00/35/387140035.db2.gz WNMLGVMIACJEGE-MCIONIFRSA-N 2 0 240.391 1.659 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000423304969 387140273 /nfs/dbraw/zinc/14/02/73/387140273.db2.gz ZUPYANAWIUOKKN-MNOVXSKESA-N 2 0 234.343 1.962 20 0 BDADRP C[C@H](C[NH+]1CCCCCC1)NCc1ncc[nH]1 ZINC000187569267 387204715 /nfs/dbraw/zinc/20/47/15/387204715.db2.gz STQCEGSVZLTZFU-GFCCVEGCSA-N 2 0 236.363 1.764 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423356748 387208031 /nfs/dbraw/zinc/20/80/31/387208031.db2.gz KGABEWCXVOGOKJ-NWDGAFQWSA-N 3 0 213.369 1.236 20 0 BDADRP C[C@H](CNC(=O)c1ccc([C@H](C)[NH3+])cc1)[NH+](C)C ZINC000423356122 387208758 /nfs/dbraw/zinc/20/87/58/387208758.db2.gz QATQACZAYJVLMC-MNOVXSKESA-N 2 0 249.358 1.386 20 0 BDADRP CCOC[C@H]1CCC[C@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000423356681 387208772 /nfs/dbraw/zinc/20/87/72/387208772.db2.gz RDJUYZOESFTFKX-ZIAGYGMSSA-N 2 0 238.375 1.701 20 0 BDADRP C[C@H]1C[C@H](N[C@@H]2CC[NH2+][C@H](C)C2)C[N@@H+]1C1CC1 ZINC000423364142 387214779 /nfs/dbraw/zinc/21/47/79/387214779.db2.gz ATVSQSNRDRWKBH-XQHKEYJVSA-N 2 0 237.391 1.342 20 0 BDADRP CC[C@H](N[C@H]1CC[NH2+][C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000423367929 387221748 /nfs/dbraw/zinc/22/17/48/387221748.db2.gz AUUHNRNUWAALBW-VOAKCMCISA-N 2 0 225.380 1.247 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1CCCO1 ZINC000423370421 387223358 /nfs/dbraw/zinc/22/33/58/387223358.db2.gz DEOYSYIDAHYXJM-KXNHARMFSA-N 2 0 212.337 1.284 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCOC1 ZINC000423369517 387223996 /nfs/dbraw/zinc/22/39/96/387223996.db2.gz DZBKADVMYKGVKA-LPWJVIDDSA-N 2 0 226.364 1.661 20 0 BDADRP Cn1cccc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000353524732 387224036 /nfs/dbraw/zinc/22/40/36/387224036.db2.gz WOVUYPZTVILUSC-UHFFFAOYSA-N 2 0 235.375 1.988 20 0 BDADRP Cc1cccc(C[NH2+]CCOCC[NH+](C)C)c1 ZINC000230004954 387226897 /nfs/dbraw/zinc/22/68/97/387226897.db2.gz LSRMWZBFOYEBEO-UHFFFAOYSA-N 2 0 236.359 1.663 20 0 BDADRP CC[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)OC ZINC000353554855 387228018 /nfs/dbraw/zinc/22/80/18/387228018.db2.gz APYQYAXNBGEDPW-RQJABVFESA-N 2 0 240.391 1.874 20 0 BDADRP CC[NH2+][C@H](C)CN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000423373396 387229188 /nfs/dbraw/zinc/22/91/88/387229188.db2.gz BSVXONJRXQSNLA-WOPDTQHZSA-N 2 0 213.369 1.234 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cccc(CO)c1 ZINC000423400175 387234506 /nfs/dbraw/zinc/23/45/06/387234506.db2.gz WMNRMZIHKHOEQI-TYNCELHUSA-N 2 0 248.370 1.970 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000423401351 387238787 /nfs/dbraw/zinc/23/87/87/387238787.db2.gz VZBKKRHULVVCCL-UHXUPSOCSA-N 2 0 237.391 1.329 20 0 BDADRP COCC1(C[NH2+][C@@H](C)[C@H](C)OC)CC[NH2+]CC1 ZINC000423406672 387242777 /nfs/dbraw/zinc/24/27/77/387242777.db2.gz KYWYLDPQNBKPBQ-RYUDHWBXSA-N 2 0 244.379 1.016 20 0 BDADRP CC[NH2+]CCC[NH2+][C@@H](COC)CC(C)C ZINC000572147817 387243437 /nfs/dbraw/zinc/24/34/37/387243437.db2.gz NUUQMTMJWCCPTL-GFCCVEGCSA-N 2 0 216.369 1.637 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CCO1 ZINC000423423061 387250093 /nfs/dbraw/zinc/25/00/93/387250093.db2.gz LUCZFSJMIVUHOU-XDQVBPFNSA-N 2 0 240.391 1.909 20 0 BDADRP CC[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)[C@H]1CCOC1 ZINC000423344848 387195028 /nfs/dbraw/zinc/19/50/28/387195028.db2.gz YJEOUFFQSKKICF-MELADBBJSA-N 2 0 240.391 1.781 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423462735 387311267 /nfs/dbraw/zinc/31/12/67/387311267.db2.gz DZRHFTORSDOHBL-FQUUOJAGSA-N 3 0 239.407 1.611 20 0 BDADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)[C@H]1CCCC[NH2+]1 ZINC000423465977 387312789 /nfs/dbraw/zinc/31/27/89/387312789.db2.gz AGTITRPOTRULHB-MELADBBJSA-N 3 0 239.407 1.639 20 0 BDADRP CC(C)[NH2+][C@@H]1CCCN(Cc2cc[nH]c(=O)c2)C1 ZINC000639529703 387312876 /nfs/dbraw/zinc/31/28/76/387312876.db2.gz KNJLHTRRUBELRX-CYBMUJFWSA-N 2 0 249.358 1.750 20 0 BDADRP C[C@@H]1C[C@@H](N[C@@H]2C[NH2+]CCC2(F)F)CC[N@@H+]1C ZINC000423467223 387315178 /nfs/dbraw/zinc/31/51/78/387315178.db2.gz DIGOQQMMMBLXTR-OUAUKWLOSA-N 2 0 247.333 1.056 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)C1CCOCC1 ZINC000423466709 387315482 /nfs/dbraw/zinc/31/54/82/387315482.db2.gz IURWKOMVQKGTLB-OBJOEFQTSA-N 2 0 240.391 1.909 20 0 BDADRP CCC[C@H]([NH2+]C[C@H]1C[NH2+]C[C@H]1O)C(C)(C)C ZINC000423428866 387254712 /nfs/dbraw/zinc/25/47/12/387254712.db2.gz OPGFZOQWFDQKBQ-UTUOFQBUSA-N 2 0 228.380 1.371 20 0 BDADRP C[C@@H](N[C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000423377862 387258923 /nfs/dbraw/zinc/25/89/23/387258923.db2.gz KOJWMUZEIGTNLP-LPWJVIDDSA-N 2 0 225.380 1.247 20 0 BDADRP CC[C@@H]([NH2+][C@H](C)CCCC[NH3+])[C@@H]1CCC[NH2+]1 ZINC000423430523 387266420 /nfs/dbraw/zinc/26/64/20/387266420.db2.gz KZASDHNGOMUQMS-UPJWGTAASA-N 3 0 227.396 1.624 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CN1C1CC1 ZINC000423385053 387268737 /nfs/dbraw/zinc/26/87/37/387268737.db2.gz LKKFGXNNRWZSMM-XQHKEYJVSA-N 2 0 237.391 1.471 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1NCCCC1(C)C ZINC000423391414 387275687 /nfs/dbraw/zinc/27/56/87/387275687.db2.gz PKAKSMGPHJUNMP-STQMWFEESA-N 2 0 241.423 1.872 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000423391542 387276680 /nfs/dbraw/zinc/27/66/80/387276680.db2.gz XAAXVXVGAKOFBF-FVCCEPFGSA-N 2 0 238.375 1.532 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H](C)c1ccc(C)nc1C ZINC000643498463 387277129 /nfs/dbraw/zinc/27/71/29/387277129.db2.gz BGSYMPGEUAJBSM-NSHDSACASA-N 2 0 221.348 1.959 20 0 BDADRP C[C@@H](NC[C@H]1[NH2+]CCCC1(C)C)[C@H]1CCC[NH2+]1 ZINC000423393238 387278891 /nfs/dbraw/zinc/27/88/91/387278891.db2.gz QVLOYJKLFXTDDD-JHJVBQTASA-N 2 0 239.407 1.495 20 0 BDADRP COC[C@]1(C[NH2+][C@H](C)C(C)(C)C)CCC[NH2+]1 ZINC000423432282 387283639 /nfs/dbraw/zinc/28/36/39/387283639.db2.gz QWGNBCJDJNGELE-DGCLKSJQSA-N 2 0 228.380 1.779 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000423431499 387284512 /nfs/dbraw/zinc/28/45/12/387284512.db2.gz LPSLLVQNPSAYGV-REWJHTLYSA-N 3 0 241.423 1.822 20 0 BDADRP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1C[C@H]1c1ccccc1 ZINC000423433598 387284856 /nfs/dbraw/zinc/28/48/56/387284856.db2.gz PIIIFVIHZFXJQK-YHDIRRJESA-N 2 0 242.366 1.986 20 0 BDADRP Cc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cn1 ZINC000162228994 387285328 /nfs/dbraw/zinc/28/53/28/387285328.db2.gz YSLFMRWTSKGHBS-CYBMUJFWSA-N 2 0 219.332 1.622 20 0 BDADRP CCN1C[C@H]([NH2+][C@@H](C)CCCC[NH3+])[C@@H](C)C1 ZINC000423435070 387285930 /nfs/dbraw/zinc/28/59/30/387285930.db2.gz OPLAXNJOFVIESF-AVGNSLFASA-N 2 0 227.396 1.434 20 0 BDADRP CC[NH2+]CCC[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000643499211 387286754 /nfs/dbraw/zinc/28/67/54/387286754.db2.gz INPOATKGRRDMDO-VXGBXAGGSA-N 2 0 214.353 1.533 20 0 BDADRP CC[C@@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000120981656 387287975 /nfs/dbraw/zinc/28/79/75/387287975.db2.gz SXAWQKORCNOWHS-CHWSQXEVSA-N 2 0 227.396 1.258 20 0 BDADRP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000423438180 387288726 /nfs/dbraw/zinc/28/87/26/387288726.db2.gz MSFDPLSEZKFWND-CABNGKKXSA-N 2 0 238.375 1.532 20 0 BDADRP CO[C@@H](C)[C@@H](C)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423448626 387296398 /nfs/dbraw/zinc/29/63/98/387296398.db2.gz VGCFYQRMFCEONO-RSLMWUCJSA-N 2 0 226.364 1.388 20 0 BDADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]C1CCN(C)CC1 ZINC000353924380 387299509 /nfs/dbraw/zinc/29/95/09/387299509.db2.gz BWUAVFRLTQPOED-JSGCOSHPSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(F)cn1 ZINC000423450022 387299612 /nfs/dbraw/zinc/29/96/12/387299612.db2.gz HBTSKXBBYCFFOL-NXEZZACHSA-N 2 0 225.311 1.999 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423450043 387300269 /nfs/dbraw/zinc/30/02/69/387300269.db2.gz HCIYYMJDEQVWHE-IJLUTSLNSA-N 2 0 213.369 1.234 20 0 BDADRP Cc1cc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)on1 ZINC000353947740 387301786 /nfs/dbraw/zinc/30/17/86/387301786.db2.gz OUHOQMQFHUHATO-CHWSQXEVSA-N 2 0 249.358 1.742 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@H](C)C1CCSCC1 ZINC000423457446 387306422 /nfs/dbraw/zinc/30/64/22/387306422.db2.gz FRVNQBCVYRSCCW-MWLCHTKSSA-N 2 0 216.394 1.845 20 0 BDADRP CC[N@H+](C)CCNC(=O)[C@@H](CC(C)(C)C)[NH2+]C ZINC000395701500 387308827 /nfs/dbraw/zinc/30/88/27/387308827.db2.gz BAWYCAPAKPEQEN-LLVKDONJSA-N 2 0 243.395 1.079 20 0 BDADRP C[C@H](CCC[NH3+])N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423527289 387355367 /nfs/dbraw/zinc/35/53/67/387355367.db2.gz MFPIXZDIFGAOHB-VHDGCEQUSA-N 2 0 247.386 1.459 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCC2=CC[NH2+]CC2)[C@H](C)O1 ZINC000423534770 387360665 /nfs/dbraw/zinc/36/06/65/387360665.db2.gz AVXGDXLGSCDDBF-NTZNESFSSA-N 2 0 224.348 1.452 20 0 BDADRP CCN1C[C@@H](C)[C@@H]([NH2+]CCC2=CC[NH2+]CC2)C1 ZINC000423535394 387360893 /nfs/dbraw/zinc/36/08/93/387360893.db2.gz CXHNUCIDUASONP-OCCSQVGLSA-N 2 0 237.391 1.226 20 0 BDADRP CCN1C[C@H]([NH2+]CCC2=CC[NH2+]CC2)[C@@H](C)C1 ZINC000423535393 387361553 /nfs/dbraw/zinc/36/15/53/387361553.db2.gz CXHNUCIDUASONP-JSGCOSHPSA-N 2 0 237.391 1.226 20 0 BDADRP C[C@H](NC[C@H]1CCCC[NH2+]1)[C@H]1CCCC[NH2+]1 ZINC000643502224 387362815 /nfs/dbraw/zinc/36/28/15/387362815.db2.gz ADMBMBLVUIMNFJ-YNEHKIRRSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H]1CCCC[NH2+]1 ZINC000643502458 387366541 /nfs/dbraw/zinc/36/65/41/387366541.db2.gz GXTPAYJYLUEDLD-UPJWGTAASA-N 2 0 225.380 1.106 20 0 BDADRP CC(C)(C)CCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000313458511 387367117 /nfs/dbraw/zinc/36/71/17/387367117.db2.gz HTUCMIRLMYGRLE-ZDUSSCGKSA-N 2 0 242.407 1.859 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1NCCC[NH2+]C1CC1 ZINC000423543798 387369019 /nfs/dbraw/zinc/36/90/19/387369019.db2.gz CDWPHZSWWZUTFU-OLZOCXBDSA-N 2 0 225.380 1.378 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC12CCSCC2 ZINC000423547661 387370043 /nfs/dbraw/zinc/37/00/43/387370043.db2.gz LROFVRLFICQSCO-QJPTWQEYSA-N 2 0 240.416 1.989 20 0 BDADRP C1C[C@@H]2C[C@H](N[C@H]3CCCC[NH2+]C3)CC[N@@H+]2C1 ZINC000423550959 387373437 /nfs/dbraw/zinc/37/34/37/387373437.db2.gz IVTYCPHPDVWZJK-HZSPNIEDSA-N 2 0 237.391 1.345 20 0 BDADRP Cc1noc(C)c1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000515405031 387377701 /nfs/dbraw/zinc/37/77/01/387377701.db2.gz QLMPEBIIBOSOQH-GXTWGEPZSA-N 2 0 249.358 1.769 20 0 BDADRP CC[C@H](C)[C@H](C[NH2+][C@@H](C)CC[NH+](C)C)OC ZINC000648659527 387379895 /nfs/dbraw/zinc/37/98/95/387379895.db2.gz SRCJTMMARXDSGP-AVGNSLFASA-N 2 0 230.396 1.977 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1NCCC[NH2+]C1CC1 ZINC000423573754 387380011 /nfs/dbraw/zinc/38/00/11/387380011.db2.gz ZLUIRENGTRIXIJ-WCQYABFASA-N 2 0 225.380 1.236 20 0 BDADRP CC[C@H]([NH3+])CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423472934 387320090 /nfs/dbraw/zinc/32/00/90/387320090.db2.gz QLDZVZWSNNVZIZ-REWJHTLYSA-N 2 0 239.407 1.624 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000643462772 387321832 /nfs/dbraw/zinc/32/18/32/387321832.db2.gz LBHJWBZPUBIVIB-GMXVVIOVSA-N 2 0 225.380 1.186 20 0 BDADRP C[C@H](N[C@@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000643462912 387321867 /nfs/dbraw/zinc/32/18/67/387321867.db2.gz YFGKGOTXMRPPDA-YUTCNCBUSA-N 2 0 237.391 1.201 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](Cc2cccc3c2NCC3)C1 ZINC000336497887 387323440 /nfs/dbraw/zinc/32/34/40/387323440.db2.gz FURNHEFLBJTYJL-LLVKDONJSA-N 2 0 231.343 1.435 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)[C@@H](C)O1 ZINC000423479879 387326086 /nfs/dbraw/zinc/32/60/86/387326086.db2.gz VKROMCQZDFXYFW-KVSVUVNWSA-N 2 0 226.364 1.659 20 0 BDADRP CC(C)[C@H](Cn1cccn1)[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000423482987 387328493 /nfs/dbraw/zinc/32/84/93/387328493.db2.gz XQTKPCMEISEPDF-SRVKXCTJSA-N 2 0 224.352 1.233 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@H]1CCCC12CCOCC2 ZINC000423484024 387328924 /nfs/dbraw/zinc/32/89/24/387328924.db2.gz YDQOAOHIFNCXRM-NEPJUHHUSA-N 2 0 226.364 1.663 20 0 BDADRP C[C@@H]1CCNC[C@@H]1[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423483716 387330114 /nfs/dbraw/zinc/33/01/14/387330114.db2.gz YXRWJZUIVUHWJQ-XQHKEYJVSA-N 2 0 225.380 1.092 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423484898 387331132 /nfs/dbraw/zinc/33/11/32/387331132.db2.gz RGQIDVOKKQEDET-HZSPNIEDSA-N 3 0 239.407 1.448 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423484901 387332428 /nfs/dbraw/zinc/33/24/28/387332428.db2.gz RGQIDVOKKQEDET-RDBSUJKOSA-N 3 0 239.407 1.448 20 0 BDADRP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)C1CCCC1 ZINC000423490045 387335261 /nfs/dbraw/zinc/33/52/61/387335261.db2.gz HIGDACAVXZAPCD-ZIAGYGMSSA-N 2 0 240.391 1.923 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)[C@@H]1C[C@H]1C ZINC000423492301 387337136 /nfs/dbraw/zinc/33/71/36/387337136.db2.gz MLYFXYBPHQRXFB-XQHKEYJVSA-N 2 0 226.364 1.389 20 0 BDADRP CCc1ccccc1[C@@H](N)C[NH2+][C@@H](C)CCC[NH3+] ZINC000423495648 387338525 /nfs/dbraw/zinc/33/85/25/387338525.db2.gz CHHORSNLYNYAEN-WFASDCNBSA-N 2 0 249.402 1.966 20 0 BDADRP C[C@@H](CC(C)(C)C)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423495738 387338661 /nfs/dbraw/zinc/33/86/61/387338661.db2.gz VEGBYMBAEREAIX-NWDGAFQWSA-N 2 0 228.380 1.779 20 0 BDADRP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423496785 387338996 /nfs/dbraw/zinc/33/89/96/387338996.db2.gz XQJISWPSZPUENB-WOPDTQHZSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccncc1F ZINC000423500180 387339977 /nfs/dbraw/zinc/33/99/77/387339977.db2.gz IHGZHRYHYHYMRX-HBNTYKKESA-N 2 0 237.322 1.999 20 0 BDADRP CC[C@H](O)C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000572356851 387344184 /nfs/dbraw/zinc/34/41/84/387344184.db2.gz YINHOGFKYRJXNZ-RYUDHWBXSA-N 2 0 214.353 1.079 20 0 BDADRP Cn1ccnc1[C@@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000373228629 387349636 /nfs/dbraw/zinc/34/96/36/387349636.db2.gz MQDDSZJXRAOPRS-LLVKDONJSA-N 2 0 245.330 1.523 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)[C@H](C)O1 ZINC000423515632 387350006 /nfs/dbraw/zinc/35/00/06/387350006.db2.gz SRLMULUHGCCMFQ-IIRVCBMXSA-N 2 0 212.337 1.269 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)C(C)(C)C ZINC000423516158 387350462 /nfs/dbraw/zinc/35/04/62/387350462.db2.gz NMRARJOHXAKMSW-QWRGUYRKSA-N 2 0 214.353 1.389 20 0 BDADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CC1CC1 ZINC000374423763 387453220 /nfs/dbraw/zinc/45/32/20/387453220.db2.gz XOHXCENTOHZEIR-RDBSUJKOSA-N 2 0 238.375 1.580 20 0 BDADRP CCCC[N@H+](C)CCN[C@H]1CC[NH+](C)C[C@H]1C ZINC000361399441 387453944 /nfs/dbraw/zinc/45/39/44/387453944.db2.gz FNXOYGHNRCRIGF-KGLIPLIRSA-N 2 0 241.423 1.648 20 0 BDADRP CCCC[N@H+](C)CCN[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000361395725 387454536 /nfs/dbraw/zinc/45/45/36/387454536.db2.gz BDIWSPHLWKBZKK-UONOGXRCSA-N 2 0 241.423 1.791 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC1(CO)CCCCC1 ZINC000643466259 387386617 /nfs/dbraw/zinc/38/66/17/387386617.db2.gz NNSJSLLVFCYVKY-NEPJUHHUSA-N 2 0 226.364 1.399 20 0 BDADRP C[NH2+][C@@H](C)CNC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000423626900 387389375 /nfs/dbraw/zinc/38/93/75/387389375.db2.gz HONLVGUDLPMVHM-JQWIXIFHSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@@H]([NH2+]CC(C)(C)[C@H]1CCCCO1)C1C[NH2+]C1 ZINC000643466608 387390041 /nfs/dbraw/zinc/39/00/41/387390041.db2.gz HGJVITDEWVOAGB-DGCLKSJQSA-N 2 0 240.391 1.779 20 0 BDADRP CC[C@H]([NH3+])CNC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000423675829 387396146 /nfs/dbraw/zinc/39/61/46/387396146.db2.gz ICXBICJTJYKKHD-NWDGAFQWSA-N 2 0 241.379 1.138 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000515634613 387404357 /nfs/dbraw/zinc/40/43/57/387404357.db2.gz UNWDAGQBPRRPSD-JHJVBQTASA-N 2 0 248.374 1.517 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1COC(C)(C)C1 ZINC000396819764 387500964 /nfs/dbraw/zinc/50/09/64/387500964.db2.gz JGZOUDRWVDAXKR-WDEREUQCSA-N 2 0 214.353 1.484 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000643475347 387509337 /nfs/dbraw/zinc/50/93/37/387509337.db2.gz JDMUGOPPIQHIOC-ZOBORPQBSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H]([NH2+]CCc1ccc(F)c(F)c1)C1C[NH2+]C1 ZINC000516449640 387510308 /nfs/dbraw/zinc/51/03/08/387510308.db2.gz BGZQWNPOIKHHKQ-VIFPVBQESA-N 2 0 240.297 1.705 20 0 BDADRP CC(C)CCOCC[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000122322352 387514355 /nfs/dbraw/zinc/51/43/55/387514355.db2.gz XEZYKXFAZSAPEV-CHWSQXEVSA-N 2 0 228.380 1.718 20 0 BDADRP FCCCCC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000310093709 387534548 /nfs/dbraw/zinc/53/45/48/387534548.db2.gz GQRIKGXNPOVJJJ-ZDUSSCGKSA-N 2 0 243.370 1.106 20 0 BDADRP CCC[C@H](C)[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000304402002 387475459 /nfs/dbraw/zinc/47/54/59/387475459.db2.gz OHBVJIONTVJVMC-LBPRGKRZSA-N 2 0 228.380 1.781 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000643471068 387477166 /nfs/dbraw/zinc/47/71/66/387477166.db2.gz XQAMMTMTDIDGGE-CRWXNKLISA-N 2 0 240.391 1.787 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C1CCC(CO)CC1 ZINC000643471222 387480272 /nfs/dbraw/zinc/48/02/72/387480272.db2.gz FNGYGIOXNILQJO-BLYZHGLHSA-N 2 0 240.391 1.515 20 0 BDADRP CO[C@@H]1CCC[N@H+](CCn2ccnc2)CC1 ZINC000374681999 387481067 /nfs/dbraw/zinc/48/10/67/387481067.db2.gz XYWSNLMIEOTKQH-GFCCVEGCSA-N 2 0 223.320 1.384 20 0 BDADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCC[NH2+]C1CC1 ZINC000643508207 387482130 /nfs/dbraw/zinc/48/21/30/387482130.db2.gz SZTHLKXPSSMKAW-IUODEOHRSA-N 2 0 247.386 1.287 20 0 BDADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCC[NH2+]C1CC1 ZINC000643508206 387482455 /nfs/dbraw/zinc/48/24/55/387482455.db2.gz SZTHLKXPSSMKAW-DOMZBBRYSA-N 2 0 247.386 1.287 20 0 BDADRP CO[C@H]1CCC[N@H+](CCC[NH+]2CCCC2)CC1 ZINC000374698477 387483532 /nfs/dbraw/zinc/48/35/32/387483532.db2.gz JLOYVLPZZVKZIE-AWEZNQCLSA-N 2 0 240.391 1.973 20 0 BDADRP Cc1occc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000643472333 387486035 /nfs/dbraw/zinc/48/60/35/387486035.db2.gz XTPKTFRKHZMBSX-ZYHUDNBSSA-N 2 0 208.305 1.805 20 0 BDADRP CCC1(O)CCC([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000643474214 387488332 /nfs/dbraw/zinc/48/83/32/387488332.db2.gz PPQNSJKCYLOKQE-AHPWVWPOSA-N 2 0 240.391 1.800 20 0 BDADRP CCC1(O)CCC([NH2+][C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000643474267 387489348 /nfs/dbraw/zinc/48/93/48/387489348.db2.gz ZGWJMJVAGSEDDB-RJZJGCCBSA-N 2 0 240.391 1.787 20 0 BDADRP Cc1cnn(CC[N@@H+](C)CC[C@H]([NH3+])C(C)C)c1 ZINC000336722304 387583070 /nfs/dbraw/zinc/58/30/70/387583070.db2.gz YCWMTGKGRYUPKM-ZDUSSCGKSA-N 2 0 238.379 1.497 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCC[C@@H]1F)[C@@H]1CCC[NH2+]C1 ZINC000643491335 387584225 /nfs/dbraw/zinc/58/42/25/387584225.db2.gz PTBMRXCRDDZHCS-WISYIIOYSA-N 2 0 214.328 1.855 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422716141 387628599 /nfs/dbraw/zinc/62/85/99/387628599.db2.gz UCDUCNDOZORFLL-MRVWCRGKSA-N 2 0 242.407 1.761 20 0 BDADRP C[C@@H]1C[C@H](C)N(C[C@H]2CCC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000422558480 387600532 /nfs/dbraw/zinc/60/05/32/387600532.db2.gz AUVLXBDILNYKNZ-RFGFWPKPSA-N 2 0 239.407 1.291 20 0 BDADRP Cc1c(Cl)c(C[NH2+][C@@H](C)CCC[NH3+])nn1C ZINC000422556317 387601179 /nfs/dbraw/zinc/60/11/79/387601179.db2.gz SRMRAUNOYCCAOU-QMMMGPOBSA-N 2 0 244.770 1.599 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](CC[C@H]2CC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000422637597 387610898 /nfs/dbraw/zinc/61/08/98/387610898.db2.gz OZXCOXLNWNRUJM-RQJABVFESA-N 3 0 239.407 1.291 20 0 BDADRP CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)CCC[NH3+] ZINC000422713704 387629282 /nfs/dbraw/zinc/62/92/82/387629282.db2.gz PZCOUILUXKNLPL-DCAQKATOSA-N 2 0 202.342 1.110 20 0 BDADRP Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422715221 387629303 /nfs/dbraw/zinc/62/93/03/387629303.db2.gz MAPSUKYMYCMJQS-AEJSXWLSSA-N 2 0 224.352 1.505 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422690349 387612653 /nfs/dbraw/zinc/61/26/53/387612653.db2.gz GDOGFQGZYDRVGU-MCIONIFRSA-N 3 0 239.407 1.306 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1CCCCO1 ZINC000422701495 387615513 /nfs/dbraw/zinc/61/55/13/387615513.db2.gz IRQBZOUCVJNPTG-HBNTYKKESA-N 2 0 200.326 1.271 20 0 BDADRP CC[C@H]([NH2+]C[C@H](C)COC)[C@@H]1CCC[NH2+]1 ZINC000422701481 387616165 /nfs/dbraw/zinc/61/61/65/387616165.db2.gz IQWIPWKWOFRSMM-SRVKXCTJSA-N 2 0 214.353 1.389 20 0 BDADRP CNC(=O)c1cccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000422702192 387617880 /nfs/dbraw/zinc/61/78/80/387617880.db2.gz KEKWMNFXZKYOTO-MNOVXSKESA-N 2 0 249.358 1.262 20 0 BDADRP Cc1cnc(CN[C@H]2CC[N@@H+](C)C[C@@H]2C)s1 ZINC000122930687 387620069 /nfs/dbraw/zinc/62/00/69/387620069.db2.gz TVFDTYWVXYPBEY-ONGXEEELSA-N 2 0 239.388 1.881 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000422704499 387620084 /nfs/dbraw/zinc/62/00/84/387620084.db2.gz PVBHIDUWDFQWQR-AGIUHOORSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+]Cc1c[nH]c2nccnc12 ZINC000356166942 387622528 /nfs/dbraw/zinc/62/25/28/387622528.db2.gz OAPBSQJGSIUTSF-SNVBAGLBSA-N 2 0 247.346 1.339 20 0 BDADRP CCCC[N@H+](C)CCN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422707910 387623657 /nfs/dbraw/zinc/62/36/57/387623657.db2.gz IKFQGLSGKGAHLA-ZIAGYGMSSA-N 2 0 241.423 1.825 20 0 BDADRP CCCC[N@H+](C)CCN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422711397 387625958 /nfs/dbraw/zinc/62/59/58/387625958.db2.gz NBAPKSXJPDGYKY-QWHCGFSZSA-N 2 0 227.396 1.448 20 0 BDADRP Cc1cc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])ncn1 ZINC000643476322 387547797 /nfs/dbraw/zinc/54/77/97/387547797.db2.gz ITWJYUQMRCYZLO-YPMHNXCESA-N 2 0 234.347 1.392 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000305111662 387555437 /nfs/dbraw/zinc/55/54/37/387555437.db2.gz GEBJVDUWZLMOLK-REWJHTLYSA-N 2 0 242.407 1.713 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000305119115 387555531 /nfs/dbraw/zinc/55/55/31/387555531.db2.gz JAVFHMGPNPNBGJ-MEBFFEOJSA-N 2 0 242.407 1.712 20 0 BDADRP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422715233 387628020 /nfs/dbraw/zinc/62/80/20/387628020.db2.gz MAPSUKYMYCMJQS-GUBZILKMSA-N 2 0 224.352 1.505 20 0 BDADRP C[C@](C[NH3+])(NCc1ccccn1)C1CC1 ZINC000430595540 387629872 /nfs/dbraw/zinc/62/98/72/387629872.db2.gz MUHYJHIOILQBBJ-GFCCVEGCSA-N 2 0 205.305 1.299 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422718877 387630419 /nfs/dbraw/zinc/63/04/19/387630419.db2.gz XXYKPVOMYWLDFR-QJPTWQEYSA-N 2 0 214.353 1.253 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000422717537 387630985 /nfs/dbraw/zinc/63/09/85/387630985.db2.gz WARYSERRGBZQTH-QNWHQSFQSA-N 2 0 228.380 1.501 20 0 BDADRP CN(C)c1cccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])c1 ZINC000422720798 387632334 /nfs/dbraw/zinc/63/23/34/387632334.db2.gz TWNSGUKOISNBPX-ZFWWWQNUSA-N 2 0 247.386 1.970 20 0 BDADRP C[C@@H](NC[C@H](C)C[NH+]1CCCC1)[C@H]1CCC[NH2+]1 ZINC000422722342 387632834 /nfs/dbraw/zinc/63/28/34/387632834.db2.gz PEECWFMMPJGNEX-BFHYXJOUSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H](CN[C@H](C)C[C@H](C)[NH3+])C[NH+]1CCCCC1 ZINC000422719501 387633023 /nfs/dbraw/zinc/63/30/23/387633023.db2.gz YHEVJRFIKYWPMB-HZSPNIEDSA-N 2 0 241.423 1.824 20 0 BDADRP CC[C@@H]([NH2+]C[C@@]1(C)CCOC1)[C@@H]1CCC[NH2+]1 ZINC000422727815 387635487 /nfs/dbraw/zinc/63/54/87/387635487.db2.gz HZABLYZFJSYXLD-FRRDWIJNSA-N 2 0 226.364 1.533 20 0 BDADRP COCCC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422728112 387635638 /nfs/dbraw/zinc/63/56/38/387635638.db2.gz FCELTJWXGUMGNR-MNOVXSKESA-N 2 0 200.326 1.273 20 0 BDADRP CC(C)CC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422733502 387641434 /nfs/dbraw/zinc/64/14/34/387641434.db2.gz QWXZRDBHEMBSDI-HZSPNIEDSA-N 2 0 240.391 1.779 20 0 BDADRP CC[NH+](CC)CCCN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000422736335 387643339 /nfs/dbraw/zinc/64/33/39/387643339.db2.gz VYKHDIKOKYYXFJ-QWHCGFSZSA-N 2 0 227.396 1.306 20 0 BDADRP C[N@H+](CCN[C@H]1CCC[C@H]1[NH3+])C1CCCC1 ZINC000422739854 387644806 /nfs/dbraw/zinc/64/48/06/387644806.db2.gz MAWYYMCSQXKWNT-OLZOCXBDSA-N 2 0 225.380 1.330 20 0 BDADRP C[C@H](CN[C@@H]1CCCCC[C@@H]1[NH3+])[NH+](C)C ZINC000422738125 387646221 /nfs/dbraw/zinc/64/62/21/387646221.db2.gz JFKKLBQDBMCVRH-GRYCIOLGSA-N 2 0 213.369 1.186 20 0 BDADRP CC[NH+](CC)CCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000422744866 387649265 /nfs/dbraw/zinc/64/92/65/387649265.db2.gz KYLVGYQWAXSRGO-STQMWFEESA-N 2 0 227.396 1.578 20 0 BDADRP CC[C@@H](N[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000422746704 387649849 /nfs/dbraw/zinc/64/98/49/387649849.db2.gz WYOYHQNTXVMIEF-YUTCNCBUSA-N 2 0 237.391 1.343 20 0 BDADRP CCCC[NH+]1CCC(N[C@H]2CCC[NH2+]C2)CC1 ZINC000043326950 387650912 /nfs/dbraw/zinc/65/09/12/387650912.db2.gz BVIMBRRBUXOCOX-AWEZNQCLSA-N 2 0 239.407 1.593 20 0 BDADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000422747406 387651523 /nfs/dbraw/zinc/65/15/23/387651523.db2.gz YMOKRHUWDOQSSO-KBPBESRZSA-N 3 0 239.407 1.578 20 0 BDADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1CCCCC1 ZINC000422749594 387654107 /nfs/dbraw/zinc/65/41/07/387654107.db2.gz ZVCCDVBQHJNMHU-YUTCNCBUSA-N 2 0 240.391 1.909 20 0 BDADRP CC[C@H](NCCn1ccnc1)[C@@H]1CCC[NH2+]1 ZINC000422750074 387655182 /nfs/dbraw/zinc/65/51/82/387655182.db2.gz CAXKTYZCPUQQNT-RYUDHWBXSA-N 3 0 222.336 1.003 20 0 BDADRP CCN1CCC[C@@H]1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422750703 387655324 /nfs/dbraw/zinc/65/53/24/387655324.db2.gz DMWZHFCVZITIFH-JXQTWKCFSA-N 3 0 239.407 1.578 20 0 BDADRP COC[C@@H]([NH2+]CCC1CC[NH+](C)CC1)C(C)C ZINC000125428464 387656122 /nfs/dbraw/zinc/65/61/22/387656122.db2.gz CHIXRSCPCJQRRY-CQSZACIVSA-N 2 0 242.407 1.979 20 0 BDADRP COc1cc(C[NH2+][C@H](C)C2C[NH2+]C2)ccc1C ZINC000422761609 387663231 /nfs/dbraw/zinc/66/32/31/387663231.db2.gz MYSANDJTYLMSTG-LLVKDONJSA-N 2 0 234.343 1.701 20 0 BDADRP COC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)C1CC1 ZINC000125685095 387663853 /nfs/dbraw/zinc/66/38/53/387663853.db2.gz PUABTRZWUGFMST-CQSZACIVSA-N 2 0 240.391 1.874 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422765515 387664761 /nfs/dbraw/zinc/66/47/61/387664761.db2.gz WJAGNYYNFOFBRB-MCIONIFRSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)NCC1([NH+](C)C)CCCCC1 ZINC000422765507 387664893 /nfs/dbraw/zinc/66/48/93/387664893.db2.gz WHORBECYMJMWLV-OLZOCXBDSA-N 2 0 241.423 1.966 20 0 BDADRP C[C@H](NCC[NH+]1CCCC1)c1c[nH+]ccc1N ZINC000422770617 387669799 /nfs/dbraw/zinc/66/97/99/387669799.db2.gz UXSMJPIPWVTKJK-NSHDSACASA-N 2 0 234.347 1.241 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCOC1CCCC1 ZINC000422773648 387670895 /nfs/dbraw/zinc/67/08/95/387670895.db2.gz ZBTIWTSKAJDROL-MNOVXSKESA-N 2 0 214.353 1.661 20 0 BDADRP CCCCOCC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431032339 387672065 /nfs/dbraw/zinc/67/20/65/387672065.db2.gz BLJLPCPKWOMFMA-UHFFFAOYSA-N 2 0 240.391 1.879 20 0 BDADRP CC(C)Cn1ccnc1C[NH2+][C@@H](C)CCC[NH3+] ZINC000422777436 387676191 /nfs/dbraw/zinc/67/61/91/387676191.db2.gz FWJDHZWMCVIAGI-LBPRGKRZSA-N 2 0 238.379 1.756 20 0 BDADRP CC(C)COCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422779645 387676924 /nfs/dbraw/zinc/67/69/24/387676924.db2.gz GEUCOIXOETWGKI-PBWFPOADSA-N 2 0 240.391 1.922 20 0 BDADRP CC[C@@H](C(=O)NC[C@@H](C)[NH+](CC)CC)[NH+](C)C ZINC000126395488 387679766 /nfs/dbraw/zinc/67/97/66/387679766.db2.gz PPPCXGGHYXPDPF-NEPJUHHUSA-N 2 0 243.395 1.173 20 0 BDADRP C[C@@H](NCC1([NH+](C)C)CCCC1)C1C[NH2+]C1 ZINC000422785214 387683017 /nfs/dbraw/zinc/68/30/17/387683017.db2.gz MYCKDGGQWUXGAJ-LLVKDONJSA-N 2 0 225.380 1.058 20 0 BDADRP COc1cc(CC[NH2+][C@@H](C)C2C[NH2+]C2)ccc1C ZINC000422785598 387683035 /nfs/dbraw/zinc/68/30/35/387683035.db2.gz POFIXAWRSLHQMO-LBPRGKRZSA-N 2 0 248.370 1.744 20 0 BDADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000422785702 387684402 /nfs/dbraw/zinc/68/44/02/387684402.db2.gz NWYDRKXUSNFPLD-STQMWFEESA-N 3 0 241.423 1.824 20 0 BDADRP CCc1ccccc1C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422788702 387689620 /nfs/dbraw/zinc/68/96/20/387689620.db2.gz STAMHESWUDUIQF-NSHDSACASA-N 2 0 218.344 1.947 20 0 BDADRP CO[C@H](C[NH2+][C@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000422743918 387690786 /nfs/dbraw/zinc/69/07/86/387690786.db2.gz VECHKGZNCLKQGB-BXUZGUMPSA-N 2 0 234.343 1.572 20 0 BDADRP Cc1cccc(OC[C@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)c1 ZINC000422743564 387690952 /nfs/dbraw/zinc/69/09/52/387690952.db2.gz UGLVWQUZFGMPQH-STQMWFEESA-N 2 0 248.370 1.960 20 0 BDADRP C[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+](C)C1CC1 ZINC000422744731 387693617 /nfs/dbraw/zinc/69/36/17/387693617.db2.gz UCECSMOOQJSHIY-FKJOKYEKSA-N 2 0 237.391 1.342 20 0 BDADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@H]1CCCOC1 ZINC000356902901 387743753 /nfs/dbraw/zinc/74/37/53/387743753.db2.gz RVJJALCLYXCDIZ-JSGCOSHPSA-N 2 0 238.375 1.653 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](CCCO)C1 ZINC000452117852 387743892 /nfs/dbraw/zinc/74/38/92/387743892.db2.gz IQBMBTLROCOSAB-ZIAGYGMSSA-N 2 0 240.391 1.565 20 0 BDADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@H]1CCCOC1 ZINC000356902903 387744223 /nfs/dbraw/zinc/74/42/23/387744223.db2.gz RVJJALCLYXCDIZ-OCCSQVGLSA-N 2 0 238.375 1.653 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CCCS1 ZINC000422878479 387756276 /nfs/dbraw/zinc/75/62/76/387756276.db2.gz TWWNFQHZKKZRAG-GUBZILKMSA-N 2 0 202.367 1.597 20 0 BDADRP CN(C)c1ncccc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000422860876 387745054 /nfs/dbraw/zinc/74/50/54/387745054.db2.gz LZKBTAQKFZWBOE-DGCLKSJQSA-N 2 0 248.374 1.365 20 0 BDADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1CCCOC1 ZINC000422862224 387745118 /nfs/dbraw/zinc/74/51/18/387745118.db2.gz PKHOMEYAYULFLO-AEGPPILISA-N 2 0 248.370 1.714 20 0 BDADRP CCC[C@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128368727 387745235 /nfs/dbraw/zinc/74/52/35/387745235.db2.gz AHJXEIVUWGTEGC-AWEZNQCLSA-N 2 0 241.423 1.792 20 0 BDADRP CC1CC[NH+](CCN[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000422868057 387749930 /nfs/dbraw/zinc/74/99/30/387749930.db2.gz UFTMHTHHMZWAJC-QWHCGFSZSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@H](C[NH2+][C@H]1CCC[C@@H]1[NH3+])N(C)c1ccccc1 ZINC000422870571 387750041 /nfs/dbraw/zinc/75/00/41/387750041.db2.gz YYHGCASHGKSWOF-SNPRPXQTSA-N 2 0 247.386 1.981 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000422869937 387750592 /nfs/dbraw/zinc/75/05/92/387750592.db2.gz WVRNIXHOPXEWLO-UTUOFQBUSA-N 3 0 225.380 1.329 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000643526028 387755006 /nfs/dbraw/zinc/75/50/06/387755006.db2.gz NYDDPDBFCYJZRD-YVECIDJPSA-N 2 0 226.364 1.674 20 0 BDADRP CC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])C1CCOCC1 ZINC000422802457 387701665 /nfs/dbraw/zinc/70/16/65/387701665.db2.gz BNHJDZZMPFVQPE-WZRBSPASSA-N 2 0 228.380 1.907 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])C(C)C ZINC000422810018 387708175 /nfs/dbraw/zinc/70/81/75/387708175.db2.gz QTNHNMJYESRHNX-JHJVBQTASA-N 2 0 228.380 1.907 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1NCC[NH+]1CCCCCC1 ZINC000422808582 387709150 /nfs/dbraw/zinc/70/91/50/387709150.db2.gz OMMHQTPKTWATJI-OLZOCXBDSA-N 2 0 225.380 1.332 20 0 BDADRP Cc1cccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000422810953 387709664 /nfs/dbraw/zinc/70/96/64/387709664.db2.gz VAKHVAHCXXZXLX-BPLDGKMQSA-N 2 0 248.370 1.837 20 0 BDADRP CCO[C@H](CC[NH2+][C@H]1CCC[C@@H]1[NH3+])C(C)C ZINC000422813796 387710797 /nfs/dbraw/zinc/71/07/97/387710797.db2.gz SKSSUCUVEUCEPH-RWMBFGLXSA-N 2 0 228.380 1.907 20 0 BDADRP CC(C)[N@H+](C)CCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422876215 387755240 /nfs/dbraw/zinc/75/52/40/387755240.db2.gz FHHXSCIQAKZTKP-QWHCGFSZSA-N 2 0 227.396 1.576 20 0 BDADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)C1C[NH2+]C1 ZINC000422812828 387711902 /nfs/dbraw/zinc/71/19/02/387711902.db2.gz WZZNLFJBWUYGHR-GFCCVEGCSA-N 3 0 247.386 1.446 20 0 BDADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000356739172 387712361 /nfs/dbraw/zinc/71/23/61/387712361.db2.gz JMCGQOIQMWFUKV-LBPRGKRZSA-N 2 0 243.395 1.173 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC1(CCO)CCCC1 ZINC000422815970 387713337 /nfs/dbraw/zinc/71/33/37/387713337.db2.gz YVULIJCLCMQMOG-STQMWFEESA-N 2 0 240.391 1.646 20 0 BDADRP C[C@@H](CO)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000127516350 387715323 /nfs/dbraw/zinc/71/53/23/387715323.db2.gz DDCOLLYEAURDQP-LBPRGKRZSA-N 2 0 240.391 1.754 20 0 BDADRP CCC(CC)(CCO)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422816388 387715298 /nfs/dbraw/zinc/71/52/98/387715298.db2.gz ZVHXIZLRKCJXPE-STQMWFEESA-N 2 0 242.407 1.905 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCc1cn2ccccc2n1 ZINC000422820445 387718442 /nfs/dbraw/zinc/71/84/42/387718442.db2.gz QPZBZAAGISSCET-NEPJUHHUSA-N 2 0 246.358 1.592 20 0 BDADRP CCC[N@H+](CC)CCN[C@@H](C)C[C@H](C)[NH3+] ZINC000422824119 387720633 /nfs/dbraw/zinc/72/06/33/387720633.db2.gz MYIDCHLRENINNO-RYUDHWBXSA-N 2 0 215.385 1.434 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@H](N[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000422830796 387724423 /nfs/dbraw/zinc/72/44/23/387724423.db2.gz DAQZHIDRBVIPRM-FQUUOJAGSA-N 2 0 239.407 1.576 20 0 BDADRP C[NH2+]C[C@H](C)CNC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000422832049 387725282 /nfs/dbraw/zinc/72/52/82/387725282.db2.gz UIVIGMHZXONVMQ-WDEREUQCSA-N 2 0 249.358 1.292 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000422832316 387725553 /nfs/dbraw/zinc/72/55/53/387725553.db2.gz FPVPQORVWAHLCN-RFGFWPKPSA-N 2 0 239.407 1.447 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)C1(C)CC1)N1CC[NH+](C)CC1 ZINC000127704845 387725856 /nfs/dbraw/zinc/72/58/56/387725856.db2.gz VKUQZGYREDZXKX-OLZOCXBDSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@@H]([NH2+]CCCNc1ccccn1)[C@@H]1CCC[NH2+]1 ZINC000422837960 387728817 /nfs/dbraw/zinc/72/88/17/387728817.db2.gz NGBLXNRFNWVGRC-OLZOCXBDSA-N 2 0 248.374 1.614 20 0 BDADRP c1cnn(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000128007444 387732643 /nfs/dbraw/zinc/73/26/43/387732643.db2.gz GDALCKUHQHPTJD-CHWSQXEVSA-N 2 0 234.347 1.100 20 0 BDADRP CCC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])CCC1 ZINC000422847149 387734632 /nfs/dbraw/zinc/73/46/32/387734632.db2.gz HLPHGTCHPUPFMG-YNEHKIRRSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H]1OCC[C@H]1[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000527813879 387735123 /nfs/dbraw/zinc/73/51/23/387735123.db2.gz ZLYPBMGDQFPSSP-IACUBPJLSA-N 2 0 238.375 1.770 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]CC[C@H]2C)C1(C)C ZINC000422849384 387735229 /nfs/dbraw/zinc/73/52/29/387735229.db2.gz LTTRTUCAXRRJHO-FVCCEPFGSA-N 2 0 240.391 1.778 20 0 BDADRP COCCC1(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])CCC1 ZINC000422890631 387763317 /nfs/dbraw/zinc/76/33/17/387763317.db2.gz SRPQNPRORKUEMP-QWHCGFSZSA-N 2 0 240.391 1.910 20 0 BDADRP COC[C@@H]([NH2+]C[C@@H](C)[NH3+])C1CCCC1 ZINC000643527549 387765103 /nfs/dbraw/zinc/76/51/03/387765103.db2.gz OJCCCXTZFYGACB-MWLCHTKSSA-N 2 0 200.326 1.128 20 0 BDADRP C[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000643527733 387768022 /nfs/dbraw/zinc/76/80/22/387768022.db2.gz RPCBRCRQGQVHPC-HBNTYKKESA-N 2 0 202.317 1.842 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CN[C@@H](C)C[C@H](C)[NH3+] ZINC000422910281 387768700 /nfs/dbraw/zinc/76/87/00/387768700.db2.gz QDIWCILGBBICFQ-RWMBFGLXSA-N 2 0 227.396 1.576 20 0 BDADRP C[C@H](CCc1ccco1)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422961934 387812043 /nfs/dbraw/zinc/81/20/43/387812043.db2.gz DJYZAFODYIEFNC-GHMZBOCLSA-N 2 0 222.332 1.798 20 0 BDADRP C[C@H]([NH3+])CN[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000643528924 387772457 /nfs/dbraw/zinc/77/24/57/387772457.db2.gz QVJVRDCYEFOLPG-YDHLFZDLSA-N 2 0 247.386 1.444 20 0 BDADRP Cc1cccc(NCC[NH2+][C@H](C)C[C@H](C)[NH3+])n1 ZINC000422917479 387772924 /nfs/dbraw/zinc/77/29/24/387772924.db2.gz FASDECYBRFAHMX-CMPLNLGQSA-N 2 0 236.363 1.517 20 0 BDADRP Cc1cccc(NCC[NH2+][C@@H](C)C[C@H](C)[NH3+])n1 ZINC000422917480 387773618 /nfs/dbraw/zinc/77/36/18/387773618.db2.gz FASDECYBRFAHMX-JQWIXIFHSA-N 2 0 236.363 1.517 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000422919079 387775862 /nfs/dbraw/zinc/77/58/62/387775862.db2.gz JCVKUIVSMMOBGV-AXFHLTTASA-N 2 0 241.379 1.101 20 0 BDADRP C[C@@H](O)CC(C)(C)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422922205 387777705 /nfs/dbraw/zinc/77/77/05/387777705.db2.gz PVOWUSRKKWDMAF-PNESKVBLSA-N 2 0 242.407 1.891 20 0 BDADRP Cc1cccc(NCC[NH2+][C@@H]2CCC[C@@H]2[NH3+])n1 ZINC000422922804 387777811 /nfs/dbraw/zinc/77/78/11/387777811.db2.gz UPADZDJWWZBJSB-NWDGAFQWSA-N 2 0 234.347 1.271 20 0 BDADRP Cc1cccc(NCC[NH2+][C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000422923078 387777837 /nfs/dbraw/zinc/77/78/37/387777837.db2.gz VCTQIACFEKLIQI-QWHCGFSZSA-N 2 0 248.374 1.519 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1CC=CC1 ZINC000527945426 387781409 /nfs/dbraw/zinc/78/14/09/387781409.db2.gz RCMJDFMVJFTTNM-YPMHNXCESA-N 2 0 208.349 1.882 20 0 BDADRP CS[C@@H](C)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422933548 387782339 /nfs/dbraw/zinc/78/23/39/387782339.db2.gz IAPNBUVTRIKJGZ-GUBZILKMSA-N 2 0 202.367 1.468 20 0 BDADRP C[C@@H](NC[C@H]1CCC[N@@H+]1C)[C@H]1CCCC[NH2+]1 ZINC000422901525 387787392 /nfs/dbraw/zinc/78/73/92/387787392.db2.gz LFZCXGQSDWFIDM-JHJVBQTASA-N 2 0 225.380 1.201 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422979107 387788942 /nfs/dbraw/zinc/78/89/42/387788942.db2.gz LHQSOFBGXOUETK-AGIUHOORSA-N 2 0 228.380 1.658 20 0 BDADRP CC(C)[C@@](C)(O)C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422981181 387792203 /nfs/dbraw/zinc/79/22/03/387792203.db2.gz SDWHKBKLMYKLHE-DCAQKATOSA-N 2 0 202.342 1.109 20 0 BDADRP CC[C@H](CCO)[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422981442 387792230 /nfs/dbraw/zinc/79/22/30/387792230.db2.gz SVCUTSXMPUNFJN-IJLUTSLNSA-N 2 0 214.353 1.125 20 0 BDADRP CC(C)[C@@H](O)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422984290 387795948 /nfs/dbraw/zinc/79/59/48/387795948.db2.gz AFGRSLGXDSVHIY-MCIGGMRASA-N 2 0 214.353 1.110 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])CCO1 ZINC000422985362 387796625 /nfs/dbraw/zinc/79/66/25/387796625.db2.gz DKEQRJVCSDOLES-RVMXOQNASA-N 2 0 228.380 1.905 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC23CC(C2)CO3)CC[N@@H+]1C ZINC000527980427 387798889 /nfs/dbraw/zinc/79/88/89/387798889.db2.gz KAVIKMCVNZSHRW-IGJPJIBNSA-N 2 0 224.348 1.238 20 0 BDADRP C[C@H](COCC(F)(F)F)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422949173 387806717 /nfs/dbraw/zinc/80/67/17/387806717.db2.gz UHDZPAXZOYOTBY-XHNCKOQMSA-N 2 0 242.285 1.669 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCc1c[nH]c2ncccc12 ZINC000423002478 387807519 /nfs/dbraw/zinc/80/75/19/387807519.db2.gz JJGLJWVPFKGBMD-MNOVXSKESA-N 2 0 246.358 1.821 20 0 BDADRP CC(C)[NH+](CCCN[C@H](C)C1C[NH2+]C1)C(C)C ZINC000423002608 387807617 /nfs/dbraw/zinc/80/76/17/387807617.db2.gz GGBKVMRFLXBWRQ-CYBMUJFWSA-N 2 0 241.423 1.693 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCc1c[nH]c2ncccc12 ZINC000423002477 387807713 /nfs/dbraw/zinc/80/77/13/387807713.db2.gz JJGLJWVPFKGBMD-GHMZBOCLSA-N 2 0 246.358 1.821 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)C(=O)N1CCCCC1 ZINC000422957306 387808978 /nfs/dbraw/zinc/80/89/78/387808978.db2.gz NDTWFRSYXLHWHS-WOPDTQHZSA-N 2 0 241.379 1.103 20 0 BDADRP CCN(CC)C(=O)CCC[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422953527 387809690 /nfs/dbraw/zinc/80/96/90/387809690.db2.gz FVCJFNYDVCJCHK-NEPJUHHUSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@@H]([NH2+]C[C@]1(C)CCCS1)C1C[NH2+]C1 ZINC000422882280 387757422 /nfs/dbraw/zinc/75/74/22/387757422.db2.gz ZVUDBWDYSBZFFD-KOLCDFICSA-N 2 0 214.378 1.470 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCCS1 ZINC000422881240 387757681 /nfs/dbraw/zinc/75/76/81/387757681.db2.gz YKGOECCRRMITJM-UTUOFQBUSA-N 2 0 228.405 1.860 20 0 BDADRP C[C@H](N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000422880919 387758213 /nfs/dbraw/zinc/75/82/13/387758213.db2.gz XUEMCGTWQYRBRU-WVWOOGAGSA-N 2 0 237.391 1.199 20 0 BDADRP Cc1nc(C)c(CC[NH2+][C@H]2CCC[C@@H]2[NH3+])s1 ZINC000422888557 387760851 /nfs/dbraw/zinc/76/08/51/387760851.db2.gz NGTJWRCFWMTLLP-QWRGUYRKSA-N 2 0 239.388 1.772 20 0 BDADRP CCC(C)(C)C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000423070489 387872900 /nfs/dbraw/zinc/87/29/00/387872900.db2.gz CVBYEHVOZLAHST-SDDRHHMPSA-N 2 0 228.380 1.765 20 0 BDADRP C[C@@H]([NH2+]CC1Cc2ccccc2C1)C1C[NH2+]C1 ZINC000422975585 387823210 /nfs/dbraw/zinc/82/32/10/387823210.db2.gz BMZUJYUIENTQOJ-LLVKDONJSA-N 2 0 230.355 1.599 20 0 BDADRP CC[C@@H]([NH2+]C[C@](C)(O)CC)[C@@H]1CCC[NH2+]1 ZINC000422974938 387823391 /nfs/dbraw/zinc/82/33/91/387823391.db2.gz FSKKWQGAVUYYQP-GRYCIOLGSA-N 2 0 214.353 1.268 20 0 BDADRP CC[C@H]([NH2+]C[C@@](C)(O)CC)[C@@H]1CCC[NH2+]1 ZINC000422974940 387823864 /nfs/dbraw/zinc/82/38/64/387823864.db2.gz FSKKWQGAVUYYQP-SRVKXCTJSA-N 2 0 214.353 1.268 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000423004628 387825742 /nfs/dbraw/zinc/82/57/42/387825742.db2.gz KKGZGVCRNHRRBL-RFGFWPKPSA-N 2 0 240.391 1.515 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)N[C@H](C[NH3+])CCCC ZINC000442711678 387827446 /nfs/dbraw/zinc/82/74/46/387827446.db2.gz FBYZIYDMBMHVRG-QWRGUYRKSA-N 2 0 229.368 1.138 20 0 BDADRP C[C@@H]([NH2+]CC1(C2CC2)CCC1)C1C[NH2+]C1 ZINC000423006805 387827898 /nfs/dbraw/zinc/82/78/98/387827898.db2.gz WMEPWZIDZAZDLK-SNVBAGLBSA-N 2 0 208.349 1.764 20 0 BDADRP CCC[C@@H](CCO)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423008521 387830900 /nfs/dbraw/zinc/83/09/00/387830900.db2.gz SWYAAAPNFIXKBN-HZSPNIEDSA-N 2 0 242.407 1.905 20 0 BDADRP Cc1cncc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c1 ZINC000423008841 387832372 /nfs/dbraw/zinc/83/23/72/387832372.db2.gz BFXAEFCADZOXTA-WDEREUQCSA-N 2 0 207.321 1.605 20 0 BDADRP CCC[C@@H](CCO)C[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000423011370 387833079 /nfs/dbraw/zinc/83/30/79/387833079.db2.gz ZIYSLBWQQXKYSJ-IHRRRGAJSA-N 2 0 242.407 1.905 20 0 BDADRP CC(C)C[C@@H]([NH3+])c1noc(C2([NH3+])CCCC2)n1 ZINC000442744402 387833236 /nfs/dbraw/zinc/83/32/36/387833236.db2.gz HJIMQHUXXUWDAW-SECBINFHSA-N 2 0 238.335 1.844 20 0 BDADRP CC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])[C@H]1CCCO1 ZINC000423012732 387837134 /nfs/dbraw/zinc/83/71/34/387837134.db2.gz LFPVEPWTPTUMDY-WISYIIOYSA-N 2 0 214.353 1.659 20 0 BDADRP CC[C@H]([NH2+][C@H](C)CCC[NH3+])[C@@H]1CCCO1 ZINC000423016809 387840179 /nfs/dbraw/zinc/84/01/79/387840179.db2.gz UPBTZZRFAXTNHG-WOPDTQHZSA-N 2 0 214.353 1.661 20 0 BDADRP Cc1cncc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000423018372 387840575 /nfs/dbraw/zinc/84/05/75/387840575.db2.gz YSPUZUUZZDGTPW-KBPBESRZSA-N 2 0 233.359 1.997 20 0 BDADRP CC[C@H](CSC)[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423018491 387840722 /nfs/dbraw/zinc/84/07/22/387840722.db2.gz RFIXSBRTTJGAIV-IVZWLZJFSA-N 2 0 204.383 1.843 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCSCC(F)(F)F ZINC000423016855 387841005 /nfs/dbraw/zinc/84/10/05/387841005.db2.gz NKFJQKVYIVKMSN-YUMQZZPRSA-N 2 0 242.310 1.751 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)cn1 ZINC000423018916 387841627 /nfs/dbraw/zinc/84/16/27/387841627.db2.gz SKAZJPMEVAGXQO-JOYOIKCWSA-N 2 0 239.750 1.952 20 0 BDADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000423019598 387841922 /nfs/dbraw/zinc/84/19/22/387841922.db2.gz WHPYLOQYZPCPDV-REWJHTLYSA-N 2 0 240.391 1.909 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000423026164 387844408 /nfs/dbraw/zinc/84/44/08/387844408.db2.gz AUSUGHWISPWTIG-RRFJBIMHSA-N 2 0 248.370 1.450 20 0 BDADRP C[C@@H](Cc1ccoc1)[NH2+][C@@H]1CCCN(C)C1 ZINC000648432498 387844579 /nfs/dbraw/zinc/84/45/79/387844579.db2.gz OWPJCEXGNQBQNJ-WCQYABFASA-N 2 0 222.332 1.894 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCCCS1)C1C[NH2+]C1 ZINC000423029549 387845469 /nfs/dbraw/zinc/84/54/69/387845469.db2.gz IIOMLOIGDFPJIE-MWLCHTKSSA-N 2 0 214.378 1.470 20 0 BDADRP CCC(CC)(C[NH2+][C@H](C)C[C@@H](C)[NH3+])C(=O)OC ZINC000423030316 387846069 /nfs/dbraw/zinc/84/60/69/387846069.db2.gz BETLKNBVXCPYOP-GHMZBOCLSA-N 2 0 244.379 1.681 20 0 BDADRP CCC(CC)(C[NH2+][C@@H](C)C[C@H](C)[NH3+])C(=O)OC ZINC000423030318 387847381 /nfs/dbraw/zinc/84/73/81/387847381.db2.gz BETLKNBVXCPYOP-QWRGUYRKSA-N 2 0 244.379 1.681 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C1Cc2ccccc2C1 ZINC000423031901 387849416 /nfs/dbraw/zinc/84/94/16/387849416.db2.gz DWNSPLILUPUUEE-GHMZBOCLSA-N 2 0 218.344 1.869 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CCOC1)[C@H]1CCC[NH2+]1 ZINC000423036293 387851606 /nfs/dbraw/zinc/85/16/06/387851606.db2.gz TUDWYYXZFVCVKT-GRYCIOLGSA-N 2 0 212.337 1.143 20 0 BDADRP CC1=CC[N@H+](CCN[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000423039798 387852632 /nfs/dbraw/zinc/85/26/32/387852632.db2.gz RRKRPCLMBKIGJB-ZIAGYGMSSA-N 2 0 237.391 1.226 20 0 BDADRP C[C@@H]1C[C@H]1C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000433027812 387852678 /nfs/dbraw/zinc/85/26/78/387852678.db2.gz XBUBOENTJIYYPH-MCIONIFRSA-N 2 0 240.391 1.733 20 0 BDADRP CC1=CCN(CC[NH2+][C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000423039274 387852787 /nfs/dbraw/zinc/85/27/87/387852787.db2.gz QAKLMLZJFXKBAP-OLZOCXBDSA-N 2 0 225.380 1.354 20 0 BDADRP CCC[NH+]1CCC(N[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000396634444 387854208 /nfs/dbraw/zinc/85/42/08/387854208.db2.gz YYOLNBKFUCCBPZ-TZMCWYRMSA-N 2 0 239.407 1.591 20 0 BDADRP C/C=C\C[C@H](CO)[NH2+][C@H](C)CCCC[NH3+] ZINC000423044470 387855498 /nfs/dbraw/zinc/85/54/98/387855498.db2.gz APEVUXHYDPIBGK-OPVGQWETSA-N 2 0 214.353 1.421 20 0 BDADRP CC[C@@H](CC(F)(F)F)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000423042295 387855912 /nfs/dbraw/zinc/85/59/12/387855912.db2.gz YYXKTORMOVPMHN-CBAPKCEASA-N 2 0 224.270 1.915 20 0 BDADRP COC[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)C(C)C ZINC000643535096 387861086 /nfs/dbraw/zinc/86/10/86/387861086.db2.gz IYGJKELYLYARGN-VXGBXAGGSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])CCO[C@H]1C1CC1 ZINC000423057483 387862132 /nfs/dbraw/zinc/86/21/32/387862132.db2.gz ZXSCZCLYRXKQRN-RFQIPJPRSA-N 2 0 238.375 1.661 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CCC[C@H]2[NH3+])CCO[C@H]1C1CC1 ZINC000423057484 387862670 /nfs/dbraw/zinc/86/26/70/387862670.db2.gz ZXSCZCLYRXKQRN-YIYPIFLZSA-N 2 0 238.375 1.661 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)C1CC1 ZINC000643536751 387862919 /nfs/dbraw/zinc/86/29/19/387862919.db2.gz WGZHLSOKSCXEOH-NWDGAFQWSA-N 2 0 208.349 1.907 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1)C(F)(F)F ZINC000423056108 387862975 /nfs/dbraw/zinc/86/29/75/387862975.db2.gz XCQUYNODEVGDER-VGMNWLOBSA-N 2 0 224.270 1.772 20 0 BDADRP CC[C@@H]1CC[C@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643535302 387863240 /nfs/dbraw/zinc/86/32/40/387863240.db2.gz AVKKSDZZGWKPFP-UTUOFQBUSA-N 2 0 208.349 1.907 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)[C@@H]1CCC[NH2+]1 ZINC000423059430 387865673 /nfs/dbraw/zinc/86/56/73/387865673.db2.gz FSMFAUAJNUNREL-QNWHQSFQSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@@H](C[NH2+]C1CC(C)(C)C1)N1CC[NH+](C)CC1 ZINC000433115073 387865874 /nfs/dbraw/zinc/86/58/74/387865874.db2.gz HPBMLOBSOSSWLD-LBPRGKRZSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)[C@H]1C[C@H]1C ZINC000643535880 387866328 /nfs/dbraw/zinc/86/63/28/387866328.db2.gz KIZZGGLWDONMKN-WISYIIOYSA-N 2 0 208.349 1.763 20 0 BDADRP CCCN(C)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433125404 387867244 /nfs/dbraw/zinc/86/72/44/387867244.db2.gz JUMIWGVGSOWDQJ-UHFFFAOYSA-N 2 0 241.379 1.058 20 0 BDADRP CO[C@@H]1CC[C@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000423071793 387871204 /nfs/dbraw/zinc/87/12/04/387871204.db2.gz OVZLSVOYCDHDQP-XQHKEYJVSA-N 2 0 226.364 1.532 20 0 BDADRP CC[C@H](CN[C@H](C)[C@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000422964889 387813777 /nfs/dbraw/zinc/81/37/77/387813777.db2.gz MYWUHQHYJYPNBQ-MGPQQGTHSA-N 2 0 239.407 1.591 20 0 BDADRP CCC(CC)[C@H](CN[C@H](C)C1C[NH2+]C1)[NH+](C)C ZINC000422968619 387818013 /nfs/dbraw/zinc/81/80/13/387818013.db2.gz XIINRNYRONZRHK-RISCZKNCSA-N 2 0 241.423 1.550 20 0 BDADRP CCC(CC)[C@H](CN[C@H]1CCC[C@@H]1[NH3+])[NH+](C)C ZINC000422968376 387819042 /nfs/dbraw/zinc/81/90/42/387819042.db2.gz WOYGITPDIKAEJA-IHRRRGAJSA-N 2 0 241.423 1.822 20 0 BDADRP C[C@@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]C[C@H]1CC[C@@H](C)C1 ZINC000423105688 387890360 /nfs/dbraw/zinc/89/03/60/387890360.db2.gz ZHQFCQGEBQHTAS-RKQHYHRCSA-N 2 0 240.391 1.765 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cnn2ccccc12 ZINC000423106007 387890660 /nfs/dbraw/zinc/89/06/60/387890660.db2.gz OCVAHXJZCMTFES-QWRGUYRKSA-N 2 0 232.331 1.550 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCOC[C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000423105378 387890882 /nfs/dbraw/zinc/89/08/82/387890882.db2.gz IIWJBYHCRASBLV-MQYQWHSLSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCOC[C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000423105377 387891903 /nfs/dbraw/zinc/89/19/03/387891903.db2.gz IIWJBYHCRASBLV-AAVRWANBSA-N 2 0 240.391 1.779 20 0 BDADRP OCCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000236503734 387892400 /nfs/dbraw/zinc/89/24/00/387892400.db2.gz XDBIIYXIJGNAKE-HZSPNIEDSA-N 2 0 240.391 1.659 20 0 BDADRP CCC(CC)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000194542476 387893619 /nfs/dbraw/zinc/89/36/19/387893619.db2.gz DKBLNUBFNDDECD-BETUJISGSA-N 2 0 210.365 1.916 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000423112587 387895500 /nfs/dbraw/zinc/89/55/00/387895500.db2.gz SBJKNGHRDXAMTI-DYEKYZERSA-N 2 0 236.359 1.305 20 0 BDADRP Cc1cccc(CCC[NH2+][C@@H]2CCC[C@@H]2[NH3+])n1 ZINC000423112829 387895769 /nfs/dbraw/zinc/89/57/69/387895769.db2.gz YBPCIVIGPDDNGU-UONOGXRCSA-N 2 0 233.359 1.792 20 0 BDADRP CCC[N@@H+]1CCC[C@H]1CN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000423112239 387896254 /nfs/dbraw/zinc/89/62/54/387896254.db2.gz RUHTXIUUBSQILQ-MELADBBJSA-N 2 0 239.407 1.448 20 0 BDADRP COCC1(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)CCC1 ZINC000423113190 387896654 /nfs/dbraw/zinc/89/66/54/387896654.db2.gz KLSDIPFLCAPXIC-STQMWFEESA-N 2 0 240.391 1.781 20 0 BDADRP C[C@@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])c1ccncc1 ZINC000643460307 387875573 /nfs/dbraw/zinc/87/55/73/387875573.db2.gz NTWAJUGFYFXDST-SRVKXCTJSA-N 2 0 221.348 1.901 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NCC(C)(C)C[NH+]1CCCC1 ZINC000423080918 387875962 /nfs/dbraw/zinc/87/59/62/387875962.db2.gz UACGFNJUKUQJCI-STQMWFEESA-N 2 0 241.423 1.824 20 0 BDADRP CSC1(C[NH2+][C@H]2CCC[C@H]2[NH3+])CC1 ZINC000423079809 387876558 /nfs/dbraw/zinc/87/65/58/387876558.db2.gz BAGIZXDIIQSSIX-BDAKNGLRSA-N 2 0 200.351 1.351 20 0 BDADRP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424174885 387878117 /nfs/dbraw/zinc/87/81/17/387878117.db2.gz PPEPJTCKMORIJH-VZZFWQQMSA-N 2 0 222.376 1.962 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000423082139 387878335 /nfs/dbraw/zinc/87/83/35/387878335.db2.gz CROSVCPMNRHNFP-JHJVBQTASA-N 2 0 227.396 1.447 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@@H](C)C[C@H](C)[NH3+] ZINC000423083349 387878422 /nfs/dbraw/zinc/87/84/22/387878422.db2.gz FWONTDHRZDFYDF-SDDRHHMPSA-N 2 0 215.385 1.432 20 0 BDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424174881 387879072 /nfs/dbraw/zinc/87/90/72/387879072.db2.gz PPEPJTCKMORIJH-SAXRGWBVSA-N 2 0 222.376 1.962 20 0 BDADRP CCSCCC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000423117671 387899046 /nfs/dbraw/zinc/89/90/46/387899046.db2.gz WOOCVJSBNHTDEG-ZJUUUORDSA-N 2 0 204.383 1.845 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H]1N(C)CCCC1(C)C ZINC000423086472 387880696 /nfs/dbraw/zinc/88/06/96/387880696.db2.gz NESHKKSOUXEMAQ-OLZOCXBDSA-N 2 0 241.423 1.824 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CCSC1 ZINC000423085837 387880717 /nfs/dbraw/zinc/88/07/17/387880717.db2.gz LONNPJNWOXWDAL-TUAOUCFPSA-N 2 0 228.405 1.989 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000423088841 387880925 /nfs/dbraw/zinc/88/09/25/387880925.db2.gz QXAZHXOWWUUGSW-VXGBXAGGSA-N 3 0 239.407 1.576 20 0 BDADRP CSC1(C[NH2+][C@H](C)C[C@H](C)[NH3+])CCC1 ZINC000423087716 387881081 /nfs/dbraw/zinc/88/10/81/387881081.db2.gz OTOHXJGDQCNQEV-VHSXEESVSA-N 2 0 216.394 1.988 20 0 BDADRP CSC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000423091759 387882726 /nfs/dbraw/zinc/88/27/26/387882726.db2.gz YQOTTXMGHIWVKK-ZACCUICWSA-N 2 0 226.389 1.755 20 0 BDADRP CC(C)SCC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000423099770 387886864 /nfs/dbraw/zinc/88/68/64/387886864.db2.gz AYRKPPJCROVKPF-SDDRHHMPSA-N 2 0 246.420 1.470 20 0 BDADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2C[C@@H]2[NH3+])c1 ZINC000424177449 387887443 /nfs/dbraw/zinc/88/74/43/387887443.db2.gz UKZHVFJVXLHWMO-OLZOCXBDSA-N 2 0 247.342 1.342 20 0 BDADRP CC(C)(C)CC[C@H](CO)[NH2+]C1CC[NH2+]CC1 ZINC000423097012 387887512 /nfs/dbraw/zinc/88/75/12/387887512.db2.gz QJDJPRNZXGNSNA-GFCCVEGCSA-N 2 0 228.380 1.515 20 0 BDADRP CC(C)(C)CC[C@@H](CO)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000423098255 387888046 /nfs/dbraw/zinc/88/80/46/387888046.db2.gz RVITVZQOCQDMEN-STQMWFEESA-N 2 0 242.407 1.905 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H](CO)C1CC1 ZINC000423141850 387918638 /nfs/dbraw/zinc/91/86/38/387918638.db2.gz RZXXFTOMSNTETG-JQWIXIFHSA-N 2 0 214.353 1.112 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000423141912 387918879 /nfs/dbraw/zinc/91/88/79/387918879.db2.gz SJBCBHYYYCUREI-MJBXVCDLSA-N 2 0 241.423 1.824 20 0 BDADRP COCC[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)C(C)(C)C ZINC000423117601 387899176 /nfs/dbraw/zinc/89/91/76/387899176.db2.gz WERJHRHAEDFTMO-ZYHUDNBSSA-N 2 0 228.380 1.635 20 0 BDADRP CC(C)[N@@H+](C)C[C@H](C)N[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423120414 387900433 /nfs/dbraw/zinc/90/04/33/387900433.db2.gz GLBKPGAOWRIHRY-XQQFMLRXSA-N 2 0 227.396 1.445 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCCSC1)[C@@H]1CCC[NH2+]1 ZINC000423121762 387901236 /nfs/dbraw/zinc/90/12/36/387901236.db2.gz IVLLSZTVJVCXQI-WOPDTQHZSA-N 2 0 228.405 1.860 20 0 BDADRP CC[C@H](O)C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423124373 387903572 /nfs/dbraw/zinc/90/35/72/387903572.db2.gz GIVDECJWIQWPFF-XBFCOCLRSA-N 2 0 236.359 1.305 20 0 BDADRP CC(C)CC[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000236729421 387905563 /nfs/dbraw/zinc/90/55/63/387905563.db2.gz FQVIDTVFXQYNEK-AWEZNQCLSA-N 2 0 242.407 1.715 20 0 BDADRP CCCC[N@H+](C)C[C@H](C)N[C@H](C)C[C@H](C)[NH3+] ZINC000423130713 387906667 /nfs/dbraw/zinc/90/66/67/387906667.db2.gz YRSJHVGCJQBQLX-XQQFMLRXSA-N 2 0 229.412 1.822 20 0 BDADRP CCc1noc(C)c1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000423129493 387908136 /nfs/dbraw/zinc/90/81/36/387908136.db2.gz FCIQETFRGCCZDZ-GXFFZTMASA-N 2 0 237.347 1.762 20 0 BDADRP CC[C@H]([NH2+][C@H]1CC[C@H](F)C1)[C@@H]1CCC[NH2+]1 ZINC000423136049 387914657 /nfs/dbraw/zinc/91/46/57/387914657.db2.gz YRSQDBIIYOOSMA-BJDJZHNGSA-N 2 0 214.328 1.997 20 0 BDADRP C[C@@H](F)CC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423135279 387914686 /nfs/dbraw/zinc/91/46/86/387914686.db2.gz NFBGQIPFNVCHRG-MXWKQRLJSA-N 2 0 202.317 1.855 20 0 BDADRP C[C@H](F)CC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000423138792 387916019 /nfs/dbraw/zinc/91/60/19/387916019.db2.gz UCVYXQBTWSXSSW-DCAQKATOSA-N 2 0 202.317 1.984 20 0 BDADRP COc1ccncc1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000423137714 387916502 /nfs/dbraw/zinc/91/65/02/387916502.db2.gz WYFIGJAOSUVJCV-WCQYABFASA-N 2 0 249.358 1.697 20 0 BDADRP CCC[N@H+](CC)C[C@@H](C)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000423141911 387917636 /nfs/dbraw/zinc/91/76/36/387917636.db2.gz SJBCBHYYYCUREI-MGPQQGTHSA-N 2 0 241.423 1.824 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000423163796 387917779 /nfs/dbraw/zinc/91/77/79/387917779.db2.gz NKCVDOAHHVYEAK-RVMXOQNASA-N 2 0 226.364 1.661 20 0 BDADRP C[C@@H]([NH2+]CC1(CF)CCOCC1)[C@H]1CCC[NH2+]1 ZINC000423152844 387931763 /nfs/dbraw/zinc/93/17/63/387931763.db2.gz MQASBIQVBBOYEQ-VXGBXAGGSA-N 2 0 244.354 1.483 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1C[C@H]1C(C)C ZINC000423154375 387931835 /nfs/dbraw/zinc/93/18/35/387931835.db2.gz OVZBXDRBJLKGJE-XQQFMLRXSA-N 2 0 228.380 1.622 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)CC(C)(C)O)[C@@H]1CCCC[NH2+]1 ZINC000423153076 387931898 /nfs/dbraw/zinc/93/18/98/387931898.db2.gz GAYVGDNKEFPNLM-TUAOUCFPSA-N 2 0 228.380 1.656 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]C[C@H]1CCCO1 ZINC000423152803 387932345 /nfs/dbraw/zinc/93/23/45/387932345.db2.gz FQVQUWJJORXZPC-WOPDTQHZSA-N 2 0 212.337 1.415 20 0 BDADRP CC/C=C\C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000423156252 387933774 /nfs/dbraw/zinc/93/37/74/387933774.db2.gz KUYFSCJUBAJBSR-QKPYMPQASA-N 2 0 212.337 1.295 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000423156825 387936556 /nfs/dbraw/zinc/93/65/56/387936556.db2.gz LQJWBEFMQNKYAY-XQQFMLRXSA-N 2 0 228.380 1.515 20 0 BDADRP CCC[N@H+](CC)C[C@@H](C)N[C@H]1CCC[C@@H]1[NH3+] ZINC000423144664 387921455 /nfs/dbraw/zinc/92/14/55/387921455.db2.gz ZJDCDAMNVSYKNE-AGIUHOORSA-N 2 0 227.396 1.576 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000423144760 387921564 /nfs/dbraw/zinc/92/15/64/387921564.db2.gz HWFNWFRVCCOKRO-USZNOCQGSA-N 2 0 214.328 1.984 20 0 BDADRP CC[C@H]([NH2+][C@H]1CC[C@@H](CO)C1)[C@@H]1CCC[NH2+]1 ZINC000423156541 387937048 /nfs/dbraw/zinc/93/70/48/387937048.db2.gz LDWYWTUQNOIEEF-VOAKCMCISA-N 2 0 226.364 1.268 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000423147222 387924285 /nfs/dbraw/zinc/92/42/85/387924285.db2.gz RKYUIEFIACKBIF-NNYUYHANSA-N 2 0 214.328 1.855 20 0 BDADRP C[C@@H](CCO)CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423146725 387925375 /nfs/dbraw/zinc/92/53/75/387925375.db2.gz QDZDQDRXDVKLHR-GRYCIOLGSA-N 2 0 214.353 1.125 20 0 BDADRP C[C@@H](CCCCO)[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423149245 387927438 /nfs/dbraw/zinc/92/74/38/387927438.db2.gz AENNAGVZJURPFX-RWMBFGLXSA-N 2 0 228.380 1.658 20 0 BDADRP C[C@@H]([NH2+]CCCC1CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000423150024 387927869 /nfs/dbraw/zinc/92/78/69/387927869.db2.gz YLWCKZCFEJXBNY-OCCSQVGLSA-N 2 0 240.391 1.923 20 0 BDADRP COCC1(C[NH2+][C@H](C)C[C@H](C)[NH3+])CCCC1 ZINC000423169893 387954750 /nfs/dbraw/zinc/95/47/50/387954750.db2.gz WVRXKOSMDHNEGB-NWDGAFQWSA-N 2 0 228.380 1.909 20 0 BDADRP Cc1ccc(F)c(CC[NH2+][C@@H](C)C2C[NH2+]C2)c1 ZINC000423158914 387939088 /nfs/dbraw/zinc/93/90/88/387939088.db2.gz XJUSWNFVRPGDLE-NSHDSACASA-N 2 0 236.334 1.874 20 0 BDADRP O[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000423159289 387939205 /nfs/dbraw/zinc/93/92/05/387939205.db2.gz FPUABAIRCIDWRU-ZUWCUPBKSA-N 2 0 238.375 1.410 20 0 BDADRP CCC[NH2+][C@@H](C)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424231286 387941275 /nfs/dbraw/zinc/94/12/75/387941275.db2.gz BUUQODOXKIMZIR-NSHDSACASA-N 2 0 249.358 1.780 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424234181 387942528 /nfs/dbraw/zinc/94/25/28/387942528.db2.gz GJTUYRZCYDFBFA-ZDUSSCGKSA-N 2 0 249.358 1.910 20 0 BDADRP CCCC[C@@H]([NH3+])C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424234179 387942539 /nfs/dbraw/zinc/94/25/39/387942539.db2.gz GJTUYRZCYDFBFA-CYBMUJFWSA-N 2 0 249.358 1.910 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)C[C@H]2CC[NH2+]C2)c1 ZINC000424234200 387942909 /nfs/dbraw/zinc/94/29/09/387942909.db2.gz GLCZQNVXCZMVJU-LLVKDONJSA-N 2 0 247.342 1.392 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCCC[N@H+](C)C1CC1 ZINC000423161760 387943141 /nfs/dbraw/zinc/94/31/41/387943141.db2.gz JNYMTTYZXZOIHJ-NWDGAFQWSA-N 3 0 227.396 1.576 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)O1 ZINC000423162382 387943302 /nfs/dbraw/zinc/94/33/02/387943302.db2.gz KXZTYCDMXMFVCE-FDYHWXHSSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)[C@@H]1CCCC[NH2+]1 ZINC000423162804 387943449 /nfs/dbraw/zinc/94/34/49/387943449.db2.gz QFXLAEPQVDCHGK-MQYQWHSLSA-N 2 0 240.391 1.658 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000423162769 387943787 /nfs/dbraw/zinc/94/37/87/387943787.db2.gz PZYKIPCOHVDZGY-XDQVBPFNSA-N 2 0 240.391 1.787 20 0 BDADRP CO[C@@H]([C@H](C)[NH2+][C@@H](C)C[C@@H](C)[NH3+])C1CC1 ZINC000423163946 387946883 /nfs/dbraw/zinc/94/68/83/387946883.db2.gz RVZPCVWZTHHEBS-WDCWCFNPSA-N 2 0 214.353 1.515 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@@H](CO)C1)[C@H]1CCCC[NH2+]1 ZINC000423175234 387961324 /nfs/dbraw/zinc/96/13/24/387961324.db2.gz DMIXETXWUMXWIN-RFQIPJPRSA-N 2 0 240.391 1.658 20 0 BDADRP CCOC[C@@H]1CC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000245599178 387964740 /nfs/dbraw/zinc/96/47/40/387964740.db2.gz IHPXWKKVGKMWRH-ZIAGYGMSSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)C1(C)CC1 ZINC000423177788 387964994 /nfs/dbraw/zinc/96/49/94/387964994.db2.gz JLLCAMQTSNCOFD-GFCCVEGCSA-N 2 0 225.380 1.060 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@@H]2CCC[C@H](CO)C2)CC1 ZINC000423180257 387965274 /nfs/dbraw/zinc/96/52/74/387965274.db2.gz KMZBTIUEMKLNMI-GNRIBBGQSA-N 2 0 240.391 1.645 20 0 BDADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)C1CCCC1 ZINC000423179591 387965687 /nfs/dbraw/zinc/96/56/87/387965687.db2.gz MQDIZHRNBNQQRW-CYBMUJFWSA-N 2 0 239.407 1.450 20 0 BDADRP CC(C)O[C@H]1C[C@@H]([NH2+]CCC[NH3+])C1(C)C ZINC000423179388 387965996 /nfs/dbraw/zinc/96/59/96/387965996.db2.gz CZUSIIDHORQBSF-MNOVXSKESA-N 2 0 214.353 1.517 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])[C@@H](C)O1 ZINC000423182293 387967302 /nfs/dbraw/zinc/96/73/02/387967302.db2.gz LKQZNOZQHHJJKU-DHGKCCLASA-N 2 0 240.391 1.907 20 0 BDADRP COc1ccc([C@@H](C)[NH2+]CCC[NH3+])cc1O ZINC000423183841 387969265 /nfs/dbraw/zinc/96/92/65/387969265.db2.gz HZEXKWXCJKTCGN-SECBINFHSA-N 2 0 224.304 1.400 20 0 BDADRP C[C@H]([NH2+]CCC[NH3+])C1CCSCC1 ZINC000423186050 387971612 /nfs/dbraw/zinc/97/16/12/387971612.db2.gz JWCQZGXFAKRVOP-VIFPVBQESA-N 2 0 202.367 1.457 20 0 BDADRP Cc1c([C@H](C)[NH2+]CCC[NH3+])cnn1C(C)C ZINC000423195863 387980214 /nfs/dbraw/zinc/98/02/14/387980214.db2.gz UBCSHQQQPXKYBA-JTQLQIEISA-N 2 0 224.352 1.772 20 0 BDADRP [NH3+]CCC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000423197445 387981716 /nfs/dbraw/zinc/98/17/16/387981716.db2.gz ZMAJTZPXRKGWPD-JHJVBQTASA-N 2 0 226.364 1.520 20 0 BDADRP [NH3+]CCC[NH2+]C1CCc2ccccc2CC1 ZINC000423196055 387981914 /nfs/dbraw/zinc/98/19/14/387981914.db2.gz UOOMZNZYDWUIHI-UHFFFAOYSA-N 2 0 218.344 1.872 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000423191043 387976287 /nfs/dbraw/zinc/97/62/87/387976287.db2.gz SISWYLSZNIPGAA-LPWJVIDDSA-N 2 0 228.380 1.907 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1C[C@H](C)O[C@@H]1C ZINC000423191049 387976395 /nfs/dbraw/zinc/97/63/95/387976395.db2.gz SISWYLSZNIPGAA-XQHKEYJVSA-N 2 0 228.380 1.907 20 0 BDADRP COCC1CCC([NH2+][C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000423192822 387978278 /nfs/dbraw/zinc/97/82/78/387978278.db2.gz UZEKMTBUPZQHCD-FIYWTHMPSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC[NH3+])CC1 ZINC000423192870 387978308 /nfs/dbraw/zinc/97/83/08/387978308.db2.gz VFKBZCANNGURPB-TZMCWYRMSA-N 2 0 239.407 1.578 20 0 BDADRP CC[C@@H]([NH2+]CCC[NH2+]C)C1(C(=O)OC)CCC1 ZINC000423201650 387987416 /nfs/dbraw/zinc/98/74/16/387987416.db2.gz PJSJULSSQVXPNU-LLVKDONJSA-N 2 0 242.363 1.307 20 0 BDADRP C(CN1CC[NH2+]CC1)[NH2+][C@H]1CCC12CCCC2 ZINC000423203460 387989336 /nfs/dbraw/zinc/98/93/36/387989336.db2.gz MSSIPHWPPMZOHG-ZDUSSCGKSA-N 2 0 237.391 1.204 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H]1CCc2c1cccc2OC ZINC000423204595 387992015 /nfs/dbraw/zinc/99/20/15/387992015.db2.gz UYVNPOJWLPBEIQ-CYBMUJFWSA-N 2 0 234.343 1.882 20 0 BDADRP CCOC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[NH2+]C1 ZINC000423207733 387993135 /nfs/dbraw/zinc/99/31/35/387993135.db2.gz DJSMQJHWLUEVMV-QJPTWQEYSA-N 2 0 212.337 1.143 20 0 BDADRP CC[C@@H]([NH2+]CCN1CC[NH2+]CC1)C1CCC1 ZINC000423210771 387995045 /nfs/dbraw/zinc/99/50/45/387995045.db2.gz XHYFOVGAJSPJIO-CYBMUJFWSA-N 2 0 225.380 1.060 20 0 BDADRP CCC[N@@H+]1CC[C@H](CN[C@H](C)c2ccncn2)C1 ZINC000453090651 387982245 /nfs/dbraw/zinc/98/22/45/387982245.db2.gz KQIVCKKOCCUEGX-CHWSQXEVSA-N 2 0 248.374 1.859 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H](Cn1cccn1)C(C)C ZINC000423202272 387987078 /nfs/dbraw/zinc/98/70/78/387987078.db2.gz QNVBAJVLNLVNNN-LBPRGKRZSA-N 2 0 224.352 1.107 20 0 BDADRP C[C@@H]1C[C@@H](NC[C@H]2CCC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000423214327 387997535 /nfs/dbraw/zinc/99/75/35/387997535.db2.gz OQDYPNZMAIBJBW-FRRDWIJNSA-N 2 0 237.391 1.201 20 0 BDADRP C[C@H]1C[C@@H](N[C@@H]2CCCC[C@H]2[NH3+])C[N@@H+]1C1CC1 ZINC000424371335 387997565 /nfs/dbraw/zinc/99/75/65/387997565.db2.gz FUPJNEBRRXIZKG-OIMNJJJWSA-N 2 0 237.391 1.471 20 0 BDADRP C[C@@H](Cn1cccn1)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424372564 387997667 /nfs/dbraw/zinc/99/76/67/387997667.db2.gz WTDIYZOWKFLWFI-QJPTWQEYSA-N 2 0 222.336 1.131 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@H]2CCCCO2)C[C@H]1C[NH3+] ZINC000420411542 387999633 /nfs/dbraw/zinc/99/96/33/387999633.db2.gz RVFANXZISXYXND-MGPQQGTHSA-N 2 0 240.391 1.862 20 0 BDADRP COC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000423217094 388000091 /nfs/dbraw/zinc/00/00/91/388000091.db2.gz SVMSTYPRUDFORY-TZMCWYRMSA-N 2 0 240.391 1.781 20 0 BDADRP COC[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000423216986 388000170 /nfs/dbraw/zinc/00/01/70/388000170.db2.gz SVMSTYPRUDFORY-GXTWGEPZSA-N 2 0 240.391 1.781 20 0 BDADRP COCCCC[N@H+](C)CCCn1ccnc1C ZINC000159226851 388003212 /nfs/dbraw/zinc/00/32/12/388003212.db2.gz RMCUKVOMUKKOAA-UHFFFAOYSA-N 2 0 239.363 1.940 20 0 BDADRP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1cncc(F)c1 ZINC000423222903 388004135 /nfs/dbraw/zinc/00/41/35/388004135.db2.gz DEJFAVZGWMDFJX-DTWKUNHWSA-N 2 0 211.284 1.609 20 0 BDADRP C[C@H]([NH3+])CCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423225426 388006991 /nfs/dbraw/zinc/00/69/91/388006991.db2.gz MTURYUYKWFQINF-TVYUQYBPSA-N 2 0 219.332 1.458 20 0 BDADRP C[C@@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423213593 387996199 /nfs/dbraw/zinc/99/61/99/387996199.db2.gz KAVDDINJOACRDF-LOWDOPEQSA-N 3 0 225.380 1.105 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](CC[C@@H]2CCOC2)C[C@H]1C[NH3+] ZINC000400554436 388025249 /nfs/dbraw/zinc/02/52/49/388025249.db2.gz PHWRKRNXRNUGQX-XJFOESAGSA-N 2 0 240.391 1.718 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+]CC[C@H](C)[NH3+] ZINC000423228187 388013049 /nfs/dbraw/zinc/01/30/49/388013049.db2.gz YPTCAPBOIHTISO-SRVKXCTJSA-N 2 0 214.353 1.519 20 0 BDADRP CC[C@@H]([NH2+]CC[C@H](C)[NH3+])C1(C(=O)OC)CCC1 ZINC000423228399 388013089 /nfs/dbraw/zinc/01/30/89/388013089.db2.gz ZLROMBISVFFDIM-WDEREUQCSA-N 2 0 242.363 1.435 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000423228405 388014176 /nfs/dbraw/zinc/01/41/76/388014176.db2.gz ZLZHICYQMQXHPZ-REWJHTLYSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@H]([NH3+])c1ccccc1 ZINC000423232319 388016730 /nfs/dbraw/zinc/01/67/30/388016730.db2.gz BWNKOHWGOWEWIM-VHDGCEQUSA-N 2 0 247.386 1.616 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccnn1C ZINC000423270089 388035641 /nfs/dbraw/zinc/03/56/41/388035641.db2.gz GAKUWKOZJJUVHM-QJPTWQEYSA-N 2 0 236.363 1.588 20 0 BDADRP C(C[C@@H]1CC[NH2+]C1)[NH2+][C@H]1CCC12CCC2 ZINC000423254531 388035984 /nfs/dbraw/zinc/03/59/84/388035984.db2.gz YHWSQRRMSJCYOP-RYUDHWBXSA-N 2 0 208.349 1.908 20 0 BDADRP COCC[C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423254471 388036159 /nfs/dbraw/zinc/03/61/59/388036159.db2.gz YDEJNGAPSJMDOV-MELADBBJSA-N 2 0 240.391 1.781 20 0 BDADRP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C)C[NH2+]C ZINC000423255528 388037150 /nfs/dbraw/zinc/03/71/50/388037150.db2.gz AHNYZVDOVKNEPG-RWMBFGLXSA-N 2 0 228.380 1.637 20 0 BDADRP C[C@H](N[C@@H](C[NH3+])C1CCCCC1)[C@H]1CCC[NH2+]1 ZINC000423258634 388038141 /nfs/dbraw/zinc/03/81/41/388038141.db2.gz CDWPYUOJIKYDTQ-YUTCNCBUSA-N 2 0 239.407 1.624 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1cnn(C)c1 ZINC000423257149 388038396 /nfs/dbraw/zinc/03/83/96/388038396.db2.gz HTTJJGNGZNGZBS-NWDGAFQWSA-N 2 0 236.363 1.460 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000423263046 388041056 /nfs/dbraw/zinc/04/10/56/388041056.db2.gz ALYYWSMUJOZNFT-UMSGYPCISA-N 2 0 227.396 1.288 20 0 BDADRP CC(C)C[C@H](C[NH3+])N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000423264264 388041727 /nfs/dbraw/zinc/04/17/27/388041727.db2.gz PRTNANDUMCWNTP-OUCADQQQSA-N 2 0 239.407 1.432 20 0 BDADRP CC[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCOC1 ZINC000423264755 388042439 /nfs/dbraw/zinc/04/24/39/388042439.db2.gz YWSJNTSXXFXXRZ-MJBXVCDLSA-N 2 0 240.391 1.781 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000159981381 388042597 /nfs/dbraw/zinc/04/25/97/388042597.db2.gz KQFXAKGHKYXZFF-YNEHKIRRSA-N 2 0 226.364 1.220 20 0 BDADRP c1c[nH]c(C[NH2+]CC2CC[NH+](C3CC3)CC2)n1 ZINC000446887087 388043063 /nfs/dbraw/zinc/04/30/63/388043063.db2.gz NWAUCXJCRKTGLO-UHFFFAOYSA-N 2 0 234.347 1.374 20 0 BDADRP C([NH2+]C1CCOCC1)C1CC[NH+](C2CC2)CC1 ZINC000446885487 388043652 /nfs/dbraw/zinc/04/36/52/388043652.db2.gz WZTADVDGNCWHIJ-UHFFFAOYSA-N 2 0 238.375 1.629 20 0 BDADRP CC[C@H]([NH2+]C[C@@H](C)C[NH2+]C)[C@H]1CCOC1 ZINC000423266096 388043777 /nfs/dbraw/zinc/04/37/77/388043777.db2.gz CTBUPHSHZMZNSS-SRVKXCTJSA-N 2 0 214.353 1.247 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccncc1 ZINC000423243533 388026935 /nfs/dbraw/zinc/02/69/35/388026935.db2.gz GLCJJRLQINSVFB-VXGBXAGGSA-N 2 0 219.332 1.732 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)CN1C1CC1 ZINC000423245464 388027588 /nfs/dbraw/zinc/02/75/88/388027588.db2.gz IYHLTHHCWBZAOJ-JHJVBQTASA-N 2 0 237.391 1.201 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCCCN1CCO)C(C)(C)C ZINC000453272417 388029885 /nfs/dbraw/zinc/02/98/85/388029885.db2.gz UVXMMAJVRMESEI-QWHCGFSZSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCCN(CCCO)C1)C1(C)CC1 ZINC000453271393 388029958 /nfs/dbraw/zinc/02/99/58/388029958.db2.gz UEXRQWGJFKIUDD-OLZOCXBDSA-N 2 0 240.391 1.611 20 0 BDADRP CC[C@@H]([NH2+]C[C@@H]1CCCCN1CCO)C1CC1 ZINC000453273800 388030401 /nfs/dbraw/zinc/03/04/01/388030401.db2.gz VZSDINAAWOPNPA-UONOGXRCSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[NH2+]C2)c2nccn21 ZINC000423274939 388054628 /nfs/dbraw/zinc/05/46/28/388054628.db2.gz MPHPOEYBYXCOPW-JHJVBQTASA-N 2 0 248.374 1.868 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000423274693 388055131 /nfs/dbraw/zinc/05/51/31/388055131.db2.gz KUEURNKSHIPLRJ-BJDJZHNGSA-N 2 0 213.369 1.219 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000423275075 388057082 /nfs/dbraw/zinc/05/70/82/388057082.db2.gz MSSLCNKSIDISOX-GFJIZPEISA-N 3 0 239.407 1.576 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1cccc(CO)c1 ZINC000423278153 388058258 /nfs/dbraw/zinc/05/82/58/388058258.db2.gz QPESVWQJPHSZGQ-VXGBXAGGSA-N 2 0 236.359 1.685 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000423278577 388060010 /nfs/dbraw/zinc/06/00/10/388060010.db2.gz QWQIYTSIQSUZRF-RAIGVLPGSA-N 2 0 225.380 1.042 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1cnccn1 ZINC000423279532 388061431 /nfs/dbraw/zinc/06/14/31/388061431.db2.gz SFHLESRAYJJYEF-SDDRHHMPSA-N 2 0 234.347 1.645 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423282001 388063590 /nfs/dbraw/zinc/06/35/90/388063590.db2.gz VQOGWZBXOPCZST-MJBXVCDLSA-N 2 0 233.359 1.704 20 0 BDADRP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]([NH3+])C(C)C ZINC000423281967 388064266 /nfs/dbraw/zinc/06/42/66/388064266.db2.gz VOYXCANMLDQYRV-YNEHKIRRSA-N 2 0 228.380 1.765 20 0 BDADRP CCC([NH3+])(CC)CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000423283273 388065914 /nfs/dbraw/zinc/06/59/14/388065914.db2.gz FCVICCMNIYPKNM-QWHCGFSZSA-N 2 0 239.407 1.720 20 0 BDADRP CC(C)[C@@H]([NH3+])C[NH2+][C@H](Cn1cccn1)C(C)C ZINC000423285926 388069193 /nfs/dbraw/zinc/06/91/93/388069193.db2.gz ZTXNTHMRRFCVMN-QWHCGFSZSA-N 2 0 238.379 1.481 20 0 BDADRP CC(C)([NH3+])C[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000423290363 388075107 /nfs/dbraw/zinc/07/51/07/388075107.db2.gz ZUTBVIXYLPGECG-FRRDWIJNSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CN(C)C[C@H]2C)cc1 ZINC000423293422 388075611 /nfs/dbraw/zinc/07/56/11/388075611.db2.gz RHVIRNCERUDJJZ-TYNCELHUSA-N 2 0 247.386 1.746 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCc1ccccc1 ZINC000084217631 388075690 /nfs/dbraw/zinc/07/56/90/388075690.db2.gz MJWVYQZVSVNYLY-KGLIPLIRSA-N 2 0 218.344 1.946 20 0 BDADRP C[N@H+](CCCC[NH2+][C@@H]1CCSC1)C1CC1 ZINC000453409395 388076204 /nfs/dbraw/zinc/07/62/04/388076204.db2.gz UBSBVDVKDVTEOQ-LLVKDONJSA-N 2 0 228.405 1.956 20 0 BDADRP C[C@H]([NH3+])c1ccc(CN[C@@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000423293147 388076171 /nfs/dbraw/zinc/07/61/71/388076171.db2.gz PZHKECAGRXWNQK-SLEUVZQESA-N 2 0 247.386 1.936 20 0 BDADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CN(C)C[C@H]2C)cc1 ZINC000423293423 388076453 /nfs/dbraw/zinc/07/64/53/388076453.db2.gz RHVIRNCERUDJJZ-XUJVJEKNSA-N 2 0 247.386 1.746 20 0 BDADRP CC[C@H]([NH2+]C[C@H](C)C[NH3+])c1cnn(C)c1 ZINC000423294289 388076997 /nfs/dbraw/zinc/07/69/97/388076997.db2.gz BSWMFZKMHTVUAW-KOLCDFICSA-N 2 0 210.325 1.056 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000423294608 388077276 /nfs/dbraw/zinc/07/72/76/388077276.db2.gz CIZYJGMKTUSDFA-XQQFMLRXSA-N 2 0 239.407 1.719 20 0 BDADRP CCC([NH3+])(CC)CN[C@H]1C[NH2+]CC[C@@H]1C ZINC000423294929 388077714 /nfs/dbraw/zinc/07/77/14/388077714.db2.gz VRQGVAHIWLIMPF-QWRGUYRKSA-N 2 0 213.369 1.092 20 0 BDADRP CCOC[C@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000160674385 388083277 /nfs/dbraw/zinc/08/32/77/388083277.db2.gz WSBVNXVEAYQISR-WDEREUQCSA-N 2 0 200.326 1.143 20 0 BDADRP Cn1ccc(C[NH2+]CCCC[N@H+](C)C2CC2)c1 ZINC000453599326 388089786 /nfs/dbraw/zinc/08/97/86/388089786.db2.gz QPUOKDAKSAWEPP-UHFFFAOYSA-N 2 0 235.375 1.989 20 0 BDADRP CC(C)[C@H](CCO)[NH2+]CCC[NH+]1CCCCC1 ZINC000119082026 388103552 /nfs/dbraw/zinc/10/35/52/388103552.db2.gz NXBFSMHZHSGHFK-AWEZNQCLSA-N 2 0 242.407 1.859 20 0 BDADRP CC[NH+](CC)CCCCNC(=O)[C@@H]([NH3+])C(C)C ZINC000083372044 388048834 /nfs/dbraw/zinc/04/88/34/388048834.db2.gz ULFHXJBJFHPMPW-LBPRGKRZSA-N 2 0 243.395 1.208 20 0 BDADRP C(CC[NH2+]C1CSC1)CC[NH+]1CCCC1 ZINC000646250383 388170207 /nfs/dbraw/zinc/17/02/07/388170207.db2.gz SLEVMJXQDMURME-UHFFFAOYSA-N 2 0 228.405 1.958 20 0 BDADRP C[C@H](NC(=O)CCCC[NH3+])C(C)(C)C[NH+](C)C ZINC000646074827 388137705 /nfs/dbraw/zinc/13/77/05/388137705.db2.gz NSJJCFQSQLGDJA-NSHDSACASA-N 2 0 243.395 1.208 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000449076776 388139691 /nfs/dbraw/zinc/13/96/91/388139691.db2.gz HYIFKYCEDPGGGB-YNEHKIRRSA-N 2 0 244.379 1.110 20 0 BDADRP CCC[NH2+][C@@H](C)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000449104213 388142655 /nfs/dbraw/zinc/14/26/55/388142655.db2.gz FCLPWDYUABSAAO-NEPJUHHUSA-N 2 0 243.395 1.221 20 0 BDADRP C[NH+]1CCC2(CC1)C[N@H+](CCC1CC1)CCO2 ZINC000646104700 388142956 /nfs/dbraw/zinc/14/29/56/388142956.db2.gz UGZWQOKHTKTRME-UHFFFAOYSA-N 2 0 238.375 1.583 20 0 BDADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@H]([NH3+])C(C)C ZINC000449125565 388146340 /nfs/dbraw/zinc/14/63/40/388146340.db2.gz RHRROBOCDAMMMO-QWRGUYRKSA-N 2 0 243.395 1.110 20 0 BDADRP CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCCN1CCCO ZINC000449387903 388191129 /nfs/dbraw/zinc/19/11/29/388191129.db2.gz NLBRAXLLWWKPME-BFHYXJOUSA-N 2 0 242.407 1.857 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CC(C)(C)O)[C@@H](C)C1 ZINC000449451554 388209366 /nfs/dbraw/zinc/20/93/66/388209366.db2.gz RLBOVNAEWCGQQC-AVGNSLFASA-N 2 0 242.407 1.856 20 0 BDADRP CCC[NH2+][C@@H](C)C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000449534497 388226326 /nfs/dbraw/zinc/22/63/26/388226326.db2.gz MGLZTPHZILEVOP-NWDGAFQWSA-N 2 0 241.379 1.104 20 0 BDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH3+] ZINC000449569334 388234934 /nfs/dbraw/zinc/23/49/34/388234934.db2.gz BEBNIGLPCXUSRY-NEPJUHHUSA-N 2 0 241.379 1.104 20 0 BDADRP CC[C@@H](C(=O)N[C@@H](C)CCC[NH3+])[NH+](CC)CC ZINC000449572517 388235546 /nfs/dbraw/zinc/23/55/46/388235546.db2.gz NGXYGVADBFAUEK-RYUDHWBXSA-N 2 0 243.395 1.350 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)C(C)(C)C[NH3+])cc1 ZINC000449618180 388244244 /nfs/dbraw/zinc/24/42/44/388244244.db2.gz KKHOIZMFCKPLAX-UHFFFAOYSA-N 2 0 235.331 1.329 20 0 BDADRP C[C@@H]1[C@H](O)CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000451463254 388276006 /nfs/dbraw/zinc/27/60/06/388276006.db2.gz UVEGWHZCQJEFHR-ZIAGYGMSSA-N 2 0 240.391 1.708 20 0 BDADRP Cc1n[nH]c(C)c1C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000516570114 388349399 /nfs/dbraw/zinc/34/93/99/388349399.db2.gz MOBRNDXUEQLZCY-UHFFFAOYSA-N 2 0 244.342 1.775 20 0 BDADRP CCSCC[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000233827510 388349599 /nfs/dbraw/zinc/34/95/99/388349599.db2.gz XNRHNGDQYYTIDH-JTQLQIEISA-N 2 0 202.367 1.410 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000300306049 388358273 /nfs/dbraw/zinc/35/82/73/388358273.db2.gz FITCLJZJZXGDMD-RDBSUJKOSA-N 2 0 240.391 1.469 20 0 BDADRP COC[C@H](C)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000163541815 388364455 /nfs/dbraw/zinc/36/44/55/388364455.db2.gz RCDDHLHRFCIKDH-UTUOFQBUSA-N 2 0 214.353 1.328 20 0 BDADRP C[C@@H](CO)[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000086499951 388367648 /nfs/dbraw/zinc/36/76/48/388367648.db2.gz KUICJFAACWYWHP-QNWHQSFQSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@@H](CO)[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000086500953 388367948 /nfs/dbraw/zinc/36/79/48/388367948.db2.gz LLWSBTZKBUWYNG-SDDRHHMPSA-N 2 0 214.353 1.268 20 0 BDADRP C[C@@H](C[NH2+]Cc1ccn(C)c1)C[NH+](C)C ZINC000291628480 388376906 /nfs/dbraw/zinc/37/69/06/388376906.db2.gz AGKODVIXIORDQE-NSHDSACASA-N 2 0 209.337 1.312 20 0 BDADRP C[N@H+](CCOCC[NH3+])C[C@@H]1CCC(F)(F)C1 ZINC000300936986 388392841 /nfs/dbraw/zinc/39/28/41/388392841.db2.gz CUGXWOWJBZFQTR-SNVBAGLBSA-N 2 0 236.306 1.329 20 0 BDADRP CC(C)C(C[NH2+]C[C@@](C)(O)C[NH+](C)C)C(C)C ZINC000393848620 388444085 /nfs/dbraw/zinc/44/40/85/388444085.db2.gz OQUMIZZJTRGXCZ-CQSZACIVSA-N 2 0 244.423 1.817 20 0 BDADRP C[C@H]1CSC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322705331 388444250 /nfs/dbraw/zinc/44/42/50/388444250.db2.gz MUMGSSRYJHPZGV-OFIBSPLFSA-N 2 0 240.416 1.953 20 0 BDADRP C[N@H+]1CC=C(C[NH2+][C@H]2CC[NH+]3CCC[C@H]3C2)CC1 ZINC000336345883 388457893 /nfs/dbraw/zinc/45/78/93/388457893.db2.gz HDHWVJXYTVQFAI-GJZGRUSLSA-N 3 0 249.402 1.465 20 0 BDADRP Nc1ncc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)s1 ZINC000515383710 256743858 /nfs/dbraw/zinc/74/38/58/256743858.db2.gz UEIOQRNZODBDIL-BDAKNGLRSA-N 2 0 240.376 1.163 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C1CCC1 ZINC000316687324 388420543 /nfs/dbraw/zinc/42/05/43/388420543.db2.gz ZTKDAIREZQLNGW-YNEHKIRRSA-N 2 0 226.364 1.255 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CCOCc1ccccc1 ZINC000307130565 388422270 /nfs/dbraw/zinc/42/22/70/388422270.db2.gz KMGFWWTUQXEPPG-CYBMUJFWSA-N 2 0 236.359 1.920 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCOC1 ZINC000339075577 388479512 /nfs/dbraw/zinc/47/95/12/388479512.db2.gz PKHIRWCOAYHIIC-MGPQQGTHSA-N 2 0 238.375 1.629 20 0 BDADRP CC[N@@H+]1CC[C@@H](NC2CC[NH+](C3CC3)CC2)C1 ZINC000336886905 388427164 /nfs/dbraw/zinc/42/71/64/388427164.db2.gz CKCMLXGUCYEVRZ-CYBMUJFWSA-N 2 0 237.391 1.297 20 0 BDADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@H]1C[C@H]1C ZINC000322335334 388432298 /nfs/dbraw/zinc/43/22/98/388432298.db2.gz QCAQVOJFKNFEQM-MDZLAQPJSA-N 2 0 208.349 1.882 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H]2C(F)F)[C@@H](C)C1 ZINC000393522302 388432707 /nfs/dbraw/zinc/43/27/07/388432707.db2.gz QGSOOUUZVCNUDB-NAKRPEOUSA-N 2 0 232.318 1.960 20 0 BDADRP Cc1cccnc1CC[NH2+][C@@H](C)CCC[NH3+] ZINC000404827154 388435404 /nfs/dbraw/zinc/43/54/04/388435404.db2.gz GBZYYYUGCYHPTL-LBPRGKRZSA-N 2 0 221.348 1.650 20 0 BDADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000520837670 388537691 /nfs/dbraw/zinc/53/76/91/388537691.db2.gz DBIOITSCESYYQA-SYQHCUMBSA-N 3 0 239.407 1.611 20 0 BDADRP C[C@H](Cc1cnn(C)c1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000517177113 388541184 /nfs/dbraw/zinc/54/11/84/388541184.db2.gz WDDIIHURZIEMNI-KGYLQXTDSA-N 2 0 236.363 1.211 20 0 BDADRP CCC[C@@H](O)C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000649287338 388543855 /nfs/dbraw/zinc/54/38/55/388543855.db2.gz SHCMWTYJARNSCJ-QWHCGFSZSA-N 2 0 237.347 1.681 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCC1(O)CCC1 ZINC000342805884 388499370 /nfs/dbraw/zinc/49/93/70/388499370.db2.gz KXEDSFGEZFWNDR-UPJWGTAASA-N 2 0 240.391 1.610 20 0 BDADRP CC[NH2+]Cc1cccc(NC(=O)CCCC[NH3+])c1 ZINC000516634197 256799104 /nfs/dbraw/zinc/79/91/04/256799104.db2.gz GHEDYGBOOICJKT-UHFFFAOYSA-N 2 0 249.358 1.864 20 0 BDADRP C[NH+](C)C1(CNC2CC[NH+](C3CC3)CC2)CC1 ZINC000397898042 388509872 /nfs/dbraw/zinc/50/98/72/388509872.db2.gz TYMFZTVUOURILH-UHFFFAOYSA-N 2 0 237.391 1.297 20 0 BDADRP Cc1ccc(C[NH2+]CC2=CC[N@H+](C)CC2)nc1 ZINC000345171540 388511172 /nfs/dbraw/zinc/51/11/72/388511172.db2.gz JITQSYQOCGLRLP-UHFFFAOYSA-N 2 0 231.343 1.742 20 0 BDADRP COC(=O)CC1(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)CC1 ZINC000520833202 388514760 /nfs/dbraw/zinc/51/47/60/388514760.db2.gz OUGMBFJOZHISFW-MNOVXSKESA-N 2 0 240.347 1.141 20 0 BDADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCCC23CC3)CC1 ZINC000516938322 388526295 /nfs/dbraw/zinc/52/62/95/388526295.db2.gz NQBWNGHYPMQRQI-GFCCVEGCSA-N 2 0 238.375 1.365 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000348273911 388528045 /nfs/dbraw/zinc/52/80/45/388528045.db2.gz AJZCVAOQTRHAQC-AVGNSLFASA-N 2 0 240.391 1.466 20 0 BDADRP C[C@H](NCC1([NH3+])CCCCCC1)[C@H]1CCC[NH2+]1 ZINC000517024003 388533808 /nfs/dbraw/zinc/53/38/08/388533808.db2.gz LZXXSLHCPUTQGQ-QWHCGFSZSA-N 2 0 239.407 1.768 20 0 BDADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C1CCCC1 ZINC000186600849 388601328 /nfs/dbraw/zinc/60/13/28/388601328.db2.gz DBBZCETXSPMNBE-ZDUSSCGKSA-N 2 0 239.407 1.545 20 0 BDADRP C[C@H]([NH2+]CCC[NH+]1CCCC1)[C@H]1CCCOC1 ZINC000356836012 388551396 /nfs/dbraw/zinc/55/13/96/388551396.db2.gz CUSSNQJIFBRIOY-KBPBESRZSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCN2CC=CCC2)CC[N@@H+]1C ZINC000359037482 388556275 /nfs/dbraw/zinc/55/62/75/388556275.db2.gz QWEHEYYZKXVQCU-ZIAGYGMSSA-N 2 0 237.391 1.321 20 0 BDADRP Cc1cnccc1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000385061707 388573841 /nfs/dbraw/zinc/57/38/41/388573841.db2.gz UPBDZKFUKABZEG-NWDGAFQWSA-N 2 0 219.332 1.559 20 0 BDADRP CC[NH+](CC)CCCN1CCC[C@H](OC)C1 ZINC000191782287 388670278 /nfs/dbraw/zinc/67/02/78/388670278.db2.gz XHFRQCJCOLAUPS-ZDUSSCGKSA-N 2 0 228.380 1.829 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[C@H]2O)CC[N@@H+]1C ZINC000247957838 388671480 /nfs/dbraw/zinc/67/14/80/388671480.db2.gz FVDNQNUPZUIZCM-XJFOESAGSA-N 2 0 240.391 1.610 20 0 BDADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C(C)C ZINC000125742810 388675399 /nfs/dbraw/zinc/67/53/99/388675399.db2.gz PJGBMOQDKZODNY-NSHDSACASA-N 2 0 202.342 1.341 20 0 BDADRP O[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000248557737 388682811 /nfs/dbraw/zinc/68/28/11/388682811.db2.gz LQGUNSNPUSZUJB-IGQOVBAYSA-N 2 0 238.375 1.506 20 0 BDADRP COCCC1CC[NH+]([C@H](C)C2C[NH2+]C2)CC1 ZINC000530212536 388627385 /nfs/dbraw/zinc/62/73/85/388627385.db2.gz QSJVWBJYPHNPRE-LLVKDONJSA-N 2 0 226.364 1.343 20 0 BDADRP COCCC1CC[NH+]([C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000530212336 388628048 /nfs/dbraw/zinc/62/80/48/388628048.db2.gz QIRWIUCNFLERAK-VXGBXAGGSA-N 2 0 228.380 1.861 20 0 BDADRP CCC[C@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])OCC ZINC000530212546 388628068 /nfs/dbraw/zinc/62/80/68/388628068.db2.gz QSMKOLKEJVMRAW-XQQFMLRXSA-N 2 0 228.380 1.909 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000530217642 388630071 /nfs/dbraw/zinc/63/00/71/388630071.db2.gz URWNAXHJPDWMLU-BPCQOVAHSA-N 3 0 237.391 1.378 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000189307500 388630131 /nfs/dbraw/zinc/63/01/31/388630131.db2.gz MCBKVEJMAGFNAQ-STQMWFEESA-N 2 0 226.364 1.439 20 0 BDADRP C[C@@H](C[NH2+][C@H](C)C1C[NH2+]C1)c1ccncc1 ZINC000530218690 388631772 /nfs/dbraw/zinc/63/17/72/388631772.db2.gz GRSSDLBHNFOFBG-WDEREUQCSA-N 2 0 219.332 1.383 20 0 BDADRP Cc1n[nH]cc1[C@H](C)N[C@H]1CC[NH2+]C12CCC2 ZINC000530221420 388633119 /nfs/dbraw/zinc/63/31/19/388633119.db2.gz PZXOKMYIRMASIO-CABZTGNLSA-N 2 0 234.347 1.653 20 0 BDADRP [NH3+]C1CCC([NH2+]CC23CC(C2)CO3)CC1 ZINC000530223350 388633986 /nfs/dbraw/zinc/63/39/86/388633986.db2.gz UGMFWQPYYFVLMO-UHFFFAOYSA-N 2 0 210.321 1.025 20 0 BDADRP CC[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)[C@H]1CCOC1 ZINC000530224240 388634060 /nfs/dbraw/zinc/63/40/60/388634060.db2.gz VRERNHRQMRZOTQ-AVGNSLFASA-N 2 0 238.375 1.676 20 0 BDADRP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000530227187 388635710 /nfs/dbraw/zinc/63/57/10/388635710.db2.gz VORLBKQRRTVZDV-ILNCMEPLSA-N 2 0 238.375 1.671 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)CC[NH2+]1 ZINC000530245088 388638812 /nfs/dbraw/zinc/63/88/12/388638812.db2.gz SSRBUQXHDGVEHA-JHJVBQTASA-N 3 0 237.391 1.249 20 0 BDADRP C(C[C@H]1CCOC1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530243892 388638951 /nfs/dbraw/zinc/63/89/51/388638951.db2.gz INLBGGJAFYCSKN-NWDGAFQWSA-N 2 0 224.348 1.287 20 0 BDADRP COC[C@H](C)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530245358 388639286 /nfs/dbraw/zinc/63/92/86/388639286.db2.gz WOQSXJGNZPETJE-MNOVXSKESA-N 2 0 212.337 1.143 20 0 BDADRP CC(C)C[C@H](CO)[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000222603860 388640928 /nfs/dbraw/zinc/64/09/28/388640928.db2.gz SFIOXRLCQXVQNE-YNEHKIRRSA-N 2 0 228.380 1.466 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCCN1C)C1CC[NH+](C)CC1 ZINC000154647810 388642566 /nfs/dbraw/zinc/64/25/66/388642566.db2.gz FEOZJDKLGFAQGH-JSGCOSHPSA-N 2 0 239.407 1.401 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCOC2)[C@@H](C)C1 ZINC000222680689 388643218 /nfs/dbraw/zinc/64/32/18/388643218.db2.gz YAHRIYBSWOHYLL-AVGNSLFASA-N 2 0 226.364 1.343 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@H](C)COC)C1 ZINC000248587531 388685251 /nfs/dbraw/zinc/68/52/51/388685251.db2.gz WYHFLRGKIWMARJ-RYUDHWBXSA-N 2 0 214.353 1.200 20 0 BDADRP CC[N@@H+]1CC[C@@H](NCC[NH+](C)C(C)C)[C@@H](C)C1 ZINC000247095774 388658670 /nfs/dbraw/zinc/65/86/70/388658670.db2.gz RZQWFTWAZCDXSE-UONOGXRCSA-N 2 0 241.423 1.647 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCOc1ccccc1 ZINC000128283937 388744511 /nfs/dbraw/zinc/74/45/11/388744511.db2.gz QXFSWXYKJWRIFG-ZFWWWQNUSA-N 2 0 248.370 1.995 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccccc1)C1C[NH2+]C1 ZINC000422819453 388687222 /nfs/dbraw/zinc/68/72/22/388687222.db2.gz IHSLOTXYSZPDHQ-GLQYFDAESA-N 2 0 246.354 1.714 20 0 BDADRP CC(C)[C@H]1CC[C@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000423351309 388691411 /nfs/dbraw/zinc/69/14/11/388691411.db2.gz HXIPFEWYFVREHA-CHWSQXEVSA-N 2 0 208.349 1.930 20 0 BDADRP COC[C@@H](C)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000552357679 388696581 /nfs/dbraw/zinc/69/65/81/388696581.db2.gz MKVLRXMCBJDUAE-KBPBESRZSA-N 2 0 240.391 1.687 20 0 BDADRP C[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)[C@H]1CO ZINC000248941153 388699382 /nfs/dbraw/zinc/69/93/82/388699382.db2.gz NYNRJIIERZFAIW-KGLIPLIRSA-N 2 0 240.391 1.565 20 0 BDADRP CCN(CCO)CC[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000248997465 388703188 /nfs/dbraw/zinc/70/31/88/388703188.db2.gz MJOWUNRTYHYMOW-ZIAGYGMSSA-N 2 0 242.407 1.717 20 0 BDADRP Cc1nc(CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cs1 ZINC000226313569 388714399 /nfs/dbraw/zinc/71/43/99/388714399.db2.gz PXFUGDYQGXKGTC-GHMZBOCLSA-N 2 0 239.388 1.854 20 0 BDADRP FC(F)OCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000194036733 388721268 /nfs/dbraw/zinc/72/12/68/388721268.db2.gz YKICSOKLRNBIDQ-GHMZBOCLSA-N 2 0 248.317 1.832 20 0 BDADRP CC[C@H](O)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000253025793 388797769 /nfs/dbraw/zinc/79/77/69/388797769.db2.gz NCFAYMQSUVPCPF-XDQVBPFNSA-N 2 0 240.391 1.658 20 0 BDADRP O[C@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000253233066 388810894 /nfs/dbraw/zinc/81/08/94/388810894.db2.gz LQGUNSNPUSZUJB-XUXIUFHCSA-N 2 0 238.375 1.506 20 0 BDADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cn[nH]c1 ZINC000648752662 388811394 /nfs/dbraw/zinc/81/13/94/388811394.db2.gz HECNEFDUGRGQGV-UHFFFAOYSA-N 2 0 224.352 1.620 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000228864079 388776976 /nfs/dbraw/zinc/77/69/76/388776976.db2.gz LSOPESNUDIMQDQ-JHJVBQTASA-N 2 0 240.391 1.610 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000252760555 388781547 /nfs/dbraw/zinc/78/15/47/388781547.db2.gz MFIBJVDGBHCERW-NAKRPEOUSA-N 2 0 200.326 1.005 20 0 BDADRP CSCCCC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000229209204 388783129 /nfs/dbraw/zinc/78/31/29/388783129.db2.gz LKTXRHXXOPQOJW-QWRGUYRKSA-N 2 0 216.394 1.847 20 0 BDADRP CC[NH+](CC)CCCN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129457979 388843762 /nfs/dbraw/zinc/84/37/62/388843762.db2.gz PSPOBDYMHQGCPN-ZIAGYGMSSA-N 2 0 241.423 1.791 20 0 BDADRP COCCOCCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129841509 388872472 /nfs/dbraw/zinc/87/24/72/388872472.db2.gz NLZAAYBVEINAEZ-OLZOCXBDSA-N 2 0 244.379 1.112 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCCn2ccnc2)CC[N@@H+]1C ZINC000129503258 388850481 /nfs/dbraw/zinc/85/04/81/388850481.db2.gz VCJYLTAWLZHEQU-CHWSQXEVSA-N 2 0 236.363 1.346 20 0 BDADRP CC[C@@H]([NH3+])C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000564943813 388899576 /nfs/dbraw/zinc/89/95/76/388899576.db2.gz QXULFWZDEVLAAP-JOYOIKCWSA-N 2 0 235.331 1.060 20 0 BDADRP Cc1cnc(C)nc1N[C@@H]1CCn2ccnc2C1 ZINC000565226548 388928635 /nfs/dbraw/zinc/92/86/35/388928635.db2.gz NPUYZIMVWMBGLQ-LLVKDONJSA-N 2 0 243.314 1.717 20 0 BDADRP C[C@@H](CC(=O)N(C)C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000564973641 388904388 /nfs/dbraw/zinc/90/43/88/388904388.db2.gz MHHRYXQETOJABN-NSHDSACASA-N 2 0 249.358 1.102 20 0 BDADRP CC[NH+](CC)CCCN1CCC[C@@H](C[NH3+])C1 ZINC000564988197 388904947 /nfs/dbraw/zinc/90/49/47/388904947.db2.gz ZQFMIYYRXGPBJO-ZDUSSCGKSA-N 3 0 227.396 1.389 20 0 BDADRP CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000566088975 388986051 /nfs/dbraw/zinc/98/60/51/388986051.db2.gz XDVYXDMCWSAXJR-PDWCTOEPSA-N 2 0 238.375 1.674 20 0 BDADRP CC[NH+]1CCC(NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000223240503 535474161 /nfs/dbraw/zinc/47/41/61/535474161.db2.gz UXADNPJJXPODDL-LBPRGKRZSA-N 2 0 239.407 1.543 20 0 BDADRP C([NH2+][C@H]1CCCC[NH2+]C1)[C@H]1CCCOC1 ZINC000335644327 533372365 /nfs/dbraw/zinc/37/23/65/533372365.db2.gz TVZPODWWZVUALO-NEPJUHHUSA-N 2 0 212.337 1.145 20 0 BDADRP C[C@@H]([NH2+]CCCC(C)(C)CO)[C@@H]1CCC[NH2+]1 ZINC000400345292 533376408 /nfs/dbraw/zinc/37/64/08/533376408.db2.gz GYALOVIKIWUSAX-NEPJUHHUSA-N 2 0 228.380 1.515 20 0 BDADRP C([C@H]1CCSC1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261537689 533377620 /nfs/dbraw/zinc/37/76/20/533377620.db2.gz WDOVRKWXQRPASI-WOPDTQHZSA-N 2 0 226.389 1.281 20 0 BDADRP Cc1cc(N2CCC[C@H]([NH+](C)C)C2)cc[nH+]1 ZINC000302230944 132262334 /nfs/dbraw/zinc/26/23/34/132262334.db2.gz XHMVXPFRSXEDHE-ZDUSSCGKSA-N 2 0 219.332 1.920 20 0 BDADRP CC(C)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000051399501 132360666 /nfs/dbraw/zinc/36/06/66/132360666.db2.gz YZTILIHLTNZMMO-UHFFFAOYSA-N 2 0 248.374 1.331 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cccc3c2NCC3)CC[C@H]1[NH3+] ZINC000336055829 134066266 /nfs/dbraw/zinc/06/62/66/134066266.db2.gz PIQNPUOWVIIDOJ-BXUZGUMPSA-N 2 0 245.370 1.824 20 0 BDADRP CCC[N@H+](C)C[C@H]1CCN(CCC(=O)OC)C1 ZINC000177035691 134293705 /nfs/dbraw/zinc/29/37/05/134293705.db2.gz ZJJOPFGFXGWJHK-GFCCVEGCSA-N 2 0 242.363 1.213 20 0 BDADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)C2CC2)CC1 ZINC000177216822 134296247 /nfs/dbraw/zinc/29/62/47/134296247.db2.gz FJCGEGBAEOOKMZ-QWHCGFSZSA-N 2 0 239.407 1.401 20 0 BDADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cnn(C)c1 ZINC000177301906 134299314 /nfs/dbraw/zinc/29/93/14/134299314.db2.gz YBAYWRLVYDVEJL-KGLIPLIRSA-N 2 0 248.374 1.479 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)C1CCC1 ZINC000177879405 134303963 /nfs/dbraw/zinc/30/39/63/134303963.db2.gz INRVUPVXIHVRJJ-GFCCVEGCSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)C1CCC1 ZINC000178415424 134310311 /nfs/dbraw/zinc/31/03/11/134310311.db2.gz OFVFOZZTGFWOBK-ZDUSSCGKSA-N 2 0 239.407 1.402 20 0 BDADRP CCOC[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000178976457 134314253 /nfs/dbraw/zinc/31/42/53/134314253.db2.gz OKMXISGYQRKUCF-CYBMUJFWSA-N 2 0 226.364 1.344 20 0 BDADRP C[C@H](O)CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000220959243 134315016 /nfs/dbraw/zinc/31/50/16/134315016.db2.gz PUHGDRDOVSKPQF-RWMBFGLXSA-N 2 0 226.364 1.173 20 0 BDADRP C[C@H](N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ncc[nH]1 ZINC000221146865 134316957 /nfs/dbraw/zinc/31/69/57/134316957.db2.gz WCMJJOBFQJTFHV-SRVKXCTJSA-N 2 0 234.347 1.687 20 0 BDADRP C[C@H](CC[NH+](C)C)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000222912822 134336015 /nfs/dbraw/zinc/33/60/15/134336015.db2.gz IPQUNRKRTJEZPF-JHJVBQTASA-N 2 0 239.407 1.541 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+]C1CC[NH+](CC)CC1 ZINC000223438265 134340126 /nfs/dbraw/zinc/34/01/26/134340126.db2.gz SGANYDAQHWWQQU-CQSZACIVSA-N 2 0 242.407 1.857 20 0 BDADRP CC(C)(C)[NH+]1CCC([NH2+]CC2(C)COC2)CC1 ZINC000223540857 134340336 /nfs/dbraw/zinc/34/03/36/134340336.db2.gz YCUMVTZEBCVKHG-UHFFFAOYSA-N 2 0 240.391 1.875 20 0 BDADRP CO[C@@H](C)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000182185713 134342660 /nfs/dbraw/zinc/34/26/60/134342660.db2.gz XVOSWJNALVZZBV-QWHCGFSZSA-N 2 0 226.364 1.439 20 0 BDADRP CC[C@@H](O)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000225155042 134351588 /nfs/dbraw/zinc/35/15/88/134351588.db2.gz VZACEFXOPGBZAC-GFCCVEGCSA-N 2 0 214.353 1.220 20 0 BDADRP COC[C@@H]1CC[N@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000227077480 134374396 /nfs/dbraw/zinc/37/43/96/134374396.db2.gz HMIPZTUOTQXGQM-NEPJUHHUSA-N 2 0 214.353 1.328 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCOC2)CC1 ZINC000227327729 134378235 /nfs/dbraw/zinc/37/82/35/134378235.db2.gz JEGMGAZRTLJQAF-NSHDSACASA-N 2 0 212.337 1.097 20 0 BDADRP CCC1(C[NH2+][C@H](CCC[NH3+])COC)CC1 ZINC000232996252 134557607 /nfs/dbraw/zinc/55/76/07/134557607.db2.gz GGEBEPSODJDTIC-LLVKDONJSA-N 2 0 214.353 1.520 20 0 BDADRP CC(C)C[C@H]([NH3+])CN(C)C[C@@H]1CCC[N@@H+]1C ZINC000086189469 134593395 /nfs/dbraw/zinc/59/33/95/134593395.db2.gz UHFOCANZFIPYJG-STQMWFEESA-N 2 0 227.396 1.386 20 0 BDADRP Cc1c[nH+]ccc1NCC[NH+]1CCSCC1 ZINC000235824549 134815556 /nfs/dbraw/zinc/81/55/56/134815556.db2.gz OPQLKMFIZVDFNA-UHFFFAOYSA-N 2 0 237.372 1.851 20 0 BDADRP C[C@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000248794324 135021260 /nfs/dbraw/zinc/02/12/60/135021260.db2.gz YNIJWNPZWLTDMU-STQMWFEESA-N 2 0 226.364 1.175 20 0 BDADRP CC[N@H+](C)CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250091032 135049497 /nfs/dbraw/zinc/04/94/97/135049497.db2.gz WTFLSUSSPXSQCJ-MGPQQGTHSA-N 2 0 239.407 1.448 20 0 BDADRP CC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)COC1 ZINC000250813170 135058903 /nfs/dbraw/zinc/05/89/03/135058903.db2.gz VRVOXQQZVTXNRN-RYUDHWBXSA-N 2 0 224.348 1.239 20 0 BDADRP C[C@H]1CSCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000251858566 135079150 /nfs/dbraw/zinc/07/91/50/135079150.db2.gz SFHYONGJBDWGIJ-NWDGAFQWSA-N 2 0 228.405 1.813 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1C ZINC000252212782 135086495 /nfs/dbraw/zinc/08/64/95/135086495.db2.gz YNPXCVUJEZCOCF-UPJWGTAASA-N 2 0 237.391 1.295 20 0 BDADRP C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000086499947 135087234 /nfs/dbraw/zinc/08/72/34/135087234.db2.gz XYAFZZISIRAAQK-QNWHQSFQSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@@H]1CCC[C@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000086671286 135093308 /nfs/dbraw/zinc/09/33/08/135093308.db2.gz VOMUHXMJEAUHET-ZIAGYGMSSA-N 2 0 239.407 1.402 20 0 BDADRP CCCCOCC[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252697883 135094037 /nfs/dbraw/zinc/09/40/37/135094037.db2.gz JYSOKKVUVOIJRY-NEPJUHHUSA-N 2 0 214.353 1.472 20 0 BDADRP CSCCC[N@H+](C)CC1CC[NH2+]CC1 ZINC000086701662 135094176 /nfs/dbraw/zinc/09/41/76/135094176.db2.gz OWLOTBXEDDEKEG-UHFFFAOYSA-N 2 0 216.394 1.671 20 0 BDADRP CC[C@H](CCO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252703316 135098823 /nfs/dbraw/zinc/09/88/23/135098823.db2.gz UJDVILIIVPKLJE-UPJWGTAASA-N 2 0 226.364 1.364 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1ccncc1 ZINC000252715218 135101474 /nfs/dbraw/zinc/10/14/74/135101474.db2.gz UYMHCBOVIRGFFN-GXTWGEPZSA-N 2 0 233.359 1.554 20 0 BDADRP CCOC1CC([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000252741069 135105644 /nfs/dbraw/zinc/10/56/44/135105644.db2.gz KSEZDVZKHZGETA-AHPWVWPOSA-N 2 0 238.375 1.770 20 0 BDADRP COCC[C@H](C)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252770882 135108136 /nfs/dbraw/zinc/10/81/36/135108136.db2.gz LGRBKLUTXMBCKX-DCAQKATOSA-N 2 0 200.326 1.081 20 0 BDADRP C[C@@]1(C[N@@H+]2CCC3(CCC3)C2)CC[NH2+]C1 ZINC000261554515 135109091 /nfs/dbraw/zinc/10/90/91/135109091.db2.gz UIQWWGVXLBYWJZ-GFCCVEGCSA-N 2 0 208.349 1.862 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@@H]21 ZINC000252848347 135112684 /nfs/dbraw/zinc/11/26/84/135112684.db2.gz GNMZVQZSKOPIIK-YIYPIFLZSA-N 2 0 238.375 1.472 20 0 BDADRP COCCCC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252869957 135113636 /nfs/dbraw/zinc/11/36/36/135113636.db2.gz SCBUIJYRLYLVKS-AVGNSLFASA-N 2 0 226.364 1.472 20 0 BDADRP Cc1c[nH+]ccc1N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252858918 135114109 /nfs/dbraw/zinc/11/41/09/135114109.db2.gz MDWNNHYBGCWLLN-RWMBFGLXSA-N 2 0 231.343 1.954 20 0 BDADRP CS[C@H](C)C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000252953971 135117214 /nfs/dbraw/zinc/11/72/14/135117214.db2.gz HEDDJLBPEWILIN-UTLUCORTSA-N 2 0 202.367 1.455 20 0 BDADRP Cc1cc(N2C[C@@H](C)[NH2+]C[C@H]2C)cc[nH+]1 ZINC000252938831 135117445 /nfs/dbraw/zinc/11/74/45/135117445.db2.gz HTZSQZYTHRCBGV-GHMZBOCLSA-N 2 0 205.305 1.577 20 0 BDADRP C[NH2+]CC1CC[NH+](Cc2nc(C)cs2)CC1 ZINC000087391427 135127759 /nfs/dbraw/zinc/12/77/59/135127759.db2.gz BSADRZOXZGCOBK-UHFFFAOYSA-N 2 0 239.388 1.883 20 0 BDADRP C(C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)[C@H]1CCCCO1 ZINC000257742542 135141885 /nfs/dbraw/zinc/14/18/85/135141885.db2.gz ZDVHIDJLPDZWOM-KGLIPLIRSA-N 2 0 238.375 1.631 20 0 BDADRP Cc1ncccc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000261545339 135143394 /nfs/dbraw/zinc/14/33/94/135143394.db2.gz FYWYWJSIAOCGHK-SMDDNHRTSA-N 2 0 233.359 1.807 20 0 BDADRP Cc1ncccc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000261545338 135143556 /nfs/dbraw/zinc/14/35/56/135143556.db2.gz FYWYWJSIAOCGHK-RISCZKNCSA-N 2 0 233.359 1.807 20 0 BDADRP C[C@@H]1CSC[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000261530383 135157811 /nfs/dbraw/zinc/15/78/11/135157811.db2.gz ZFFXTZKSYNSNCC-SFXRXQKFSA-N 2 0 214.378 1.597 20 0 BDADRP Cc1ccncc1CN1CC[C@H]([NH3+])[C@H]1C ZINC000261530654 135158142 /nfs/dbraw/zinc/15/81/42/135158142.db2.gz CZAOCFOYRKRCPG-PWSUYJOCSA-N 2 0 205.305 1.312 20 0 BDADRP CO[C@H]1C[C@@H]([NH2+]C2CC[NH2+]CC2)C1(C)C ZINC000261531113 135159583 /nfs/dbraw/zinc/15/95/83/135159583.db2.gz FFZFFMTUGSFDRL-MNOVXSKESA-N 2 0 212.337 1.142 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000261532440 135162278 /nfs/dbraw/zinc/16/22/78/135162278.db2.gz BMEWYWSUQLJXTR-FRRDWIJNSA-N 2 0 226.364 1.485 20 0 BDADRP C[NH2+][C@H]1CCN(c2cc[nH+]c(C)c2Cl)C1 ZINC000261533609 135164961 /nfs/dbraw/zinc/16/49/61/135164961.db2.gz LCJQASZUQPOXRQ-VIFPVBQESA-N 2 0 225.723 1.842 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCSC1 ZINC000261533598 135165179 /nfs/dbraw/zinc/16/51/79/135165179.db2.gz LBUAYSPCHPAQSE-GRYCIOLGSA-N 2 0 228.405 1.847 20 0 BDADRP CO[C@H](C)C[N@H+](C[C@H]1CCC[NH2+]C1)C(C)C ZINC000261534266 135166478 /nfs/dbraw/zinc/16/64/78/135166478.db2.gz PCZDBOYFENGHLZ-OLZOCXBDSA-N 2 0 228.380 1.731 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1CC[NH2+][C@H]1CC ZINC000353170974 135167725 /nfs/dbraw/zinc/16/77/25/135167725.db2.gz ARGSKCJEFQHGSO-UTUOFQBUSA-N 2 0 241.379 1.008 20 0 BDADRP COCC(C)(C)C[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000261534910 135169076 /nfs/dbraw/zinc/16/90/76/135169076.db2.gz NJPZKYIVEGKNRB-MNOVXSKESA-N 2 0 214.353 1.247 20 0 BDADRP C[C@@]1(C[NH3+])CC[N@H+](CC[C@H]2CCCO2)C1 ZINC000261535700 135170531 /nfs/dbraw/zinc/17/05/31/135170531.db2.gz PCDQAZNZUQFFBE-NEPJUHHUSA-N 2 0 212.337 1.226 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CCCS1 ZINC000087793226 135172650 /nfs/dbraw/zinc/17/26/50/135172650.db2.gz JIXMTYUDMHKPPU-IJLUTSLNSA-N 2 0 228.405 1.989 20 0 BDADRP Cc1noc(C)c1C[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000261538311 135175207 /nfs/dbraw/zinc/17/52/07/135175207.db2.gz ZELCKBZFYYUCOG-RYUDHWBXSA-N 2 0 237.347 1.899 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000261538992 135176843 /nfs/dbraw/zinc/17/68/43/135176843.db2.gz BHQKFWYAGSLIER-QWHCGFSZSA-N 2 0 208.349 1.860 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000261538990 135177286 /nfs/dbraw/zinc/17/72/86/135177286.db2.gz BHQKFWYAGSLIER-CHWSQXEVSA-N 2 0 208.349 1.860 20 0 BDADRP CCOC(=O)C[C@H](C)[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261539617 135178906 /nfs/dbraw/zinc/17/89/06/135178906.db2.gz AMVGFWVXKXOWTB-RYUDHWBXSA-N 2 0 242.363 1.260 20 0 BDADRP C[C@@H]1C[C@H](N(C)C[C@H]2CCC[NH2+]C2)CC[N@@H+]1C ZINC000261540354 135179147 /nfs/dbraw/zinc/17/91/47/135179147.db2.gz GFRGGDJNIFQADD-HZSPNIEDSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@H]1CSCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000261540850 135179912 /nfs/dbraw/zinc/17/99/12/135179912.db2.gz FJHVZNNDILCIFP-LLVKDONJSA-N 2 0 228.405 1.671 20 0 BDADRP c1ccc(CC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261542157 135182815 /nfs/dbraw/zinc/18/28/15/135182815.db2.gz BWNDORPPFRHSFD-HUUCEWRRSA-N 2 0 230.355 1.770 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000261543565 135184663 /nfs/dbraw/zinc/18/46/63/135184663.db2.gz UOKFLBPNPGMUNE-RFGFWPKPSA-N 2 0 240.391 1.645 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000261543566 135184892 /nfs/dbraw/zinc/18/48/92/135184892.db2.gz UOKFLBPNPGMUNE-XUXIUFHCSA-N 2 0 240.391 1.645 20 0 BDADRP Cc1noc(C)c1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261544372 135185383 /nfs/dbraw/zinc/18/53/83/135185383.db2.gz DVLCVNPOGCKNSJ-CYZMBNFOSA-N 2 0 235.331 1.461 20 0 BDADRP CC[C@]1(C)CCC[N@H+](CCOCC[NH3+])C1 ZINC000261550810 135190108 /nfs/dbraw/zinc/19/01/08/135190108.db2.gz PSRUULYPNHWSGQ-GFCCVEGCSA-N 2 0 214.353 1.474 20 0 BDADRP CCOCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000084216109 135192374 /nfs/dbraw/zinc/19/23/74/135192374.db2.gz BONGANRAPBWHLJ-GHMZBOCLSA-N 2 0 200.326 1.130 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCOC1 ZINC000084216845 135192744 /nfs/dbraw/zinc/19/27/44/135192744.db2.gz UYEUDUSAUCFYEM-QJPTWQEYSA-N 2 0 212.337 1.273 20 0 BDADRP Cn1cc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cn1 ZINC000084216436 135192753 /nfs/dbraw/zinc/19/27/53/135192753.db2.gz QTOYVEQYCMUEAK-NEPJUHHUSA-N 2 0 222.336 1.027 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000084216685 135192798 /nfs/dbraw/zinc/19/27/98/135192798.db2.gz CVURJXWSTSIQKH-YWPUVAFDSA-N 3 0 225.380 1.363 20 0 BDADRP C[N@@H+](Cc1ccon1)CC1CC[NH2+]CC1 ZINC000261553822 135193597 /nfs/dbraw/zinc/19/35/97/135193597.db2.gz SVQZHBOHIHRZIP-UHFFFAOYSA-N 2 0 209.293 1.106 20 0 BDADRP C[C@@H]1CCSCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261555760 135195635 /nfs/dbraw/zinc/19/56/35/135195635.db2.gz VGMMKGVHAFETMV-LLVKDONJSA-N 2 0 228.405 1.813 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCC1CCOCC1 ZINC000261561091 135201955 /nfs/dbraw/zinc/20/19/55/135201955.db2.gz VBLMUKKOSUIYLL-UONOGXRCSA-N 2 0 240.391 1.910 20 0 BDADRP Cc1nc(C)c(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])s1 ZINC000261566977 135208573 /nfs/dbraw/zinc/20/85/73/135208573.db2.gz DTETUVSVRXVWPQ-MNOVXSKESA-N 2 0 239.388 1.977 20 0 BDADRP C(C[N@@H+]1CCC2(C1)CCOCC2)[C@@H]1CC[NH2+]C1 ZINC000261567058 135209189 /nfs/dbraw/zinc/20/91/89/135209189.db2.gz ZLYDQPRQHGXWJG-ZDUSSCGKSA-N 2 0 238.375 1.489 20 0 BDADRP Cc1ncccc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000261567837 135209427 /nfs/dbraw/zinc/20/94/27/135209427.db2.gz ITFFOCLJFVNHRC-KKUMJFAQSA-N 2 0 245.370 1.949 20 0 BDADRP COCC1(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CCC1 ZINC000261568741 135210434 /nfs/dbraw/zinc/21/04/34/135210434.db2.gz FURRKIAPTHYYGC-VXGBXAGGSA-N 2 0 226.364 1.520 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCOCC1 ZINC000261568430 135210711 /nfs/dbraw/zinc/21/07/11/135210711.db2.gz FPHHKUPJVOQIHW-XQQFMLRXSA-N 2 0 226.364 1.663 20 0 BDADRP Cn1cc([C@@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]C2)cn1 ZINC000261569887 135211846 /nfs/dbraw/zinc/21/18/46/135211846.db2.gz KCFMJVFORBCBOF-JSGCOSHPSA-N 2 0 248.374 1.557 20 0 BDADRP C[C@@H](c1ccccn1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261573406 135215906 /nfs/dbraw/zinc/21/59/06/135215906.db2.gz IUFKMNGLDPXLOR-WCQYABFASA-N 2 0 219.332 1.813 20 0 BDADRP C[C@@]1(C[NH3+])CC[N@H+](CCc2cccnc2)C1 ZINC000261576664 135218574 /nfs/dbraw/zinc/21/85/74/135218574.db2.gz KMUWDTCYXIPAQA-ZDUSSCGKSA-N 2 0 219.332 1.295 20 0 BDADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000261580228 135220675 /nfs/dbraw/zinc/22/06/75/135220675.db2.gz MUUSGEAJCXNHND-COPLHBTASA-N 2 0 218.344 1.869 20 0 BDADRP Cc1ncccc1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000261580658 135221804 /nfs/dbraw/zinc/22/18/04/135221804.db2.gz NBIQFEDYPOCWMC-CMPLNLGQSA-N 2 0 219.332 1.559 20 0 BDADRP C[C@@H]1C[C@@H](N(C)CC(C)(C)[NH3+])CC[N@@H+]1C ZINC000261584833 135225853 /nfs/dbraw/zinc/22/58/53/135225853.db2.gz QBGLPVOWVIQHCW-MNOVXSKESA-N 2 0 213.369 1.138 20 0 BDADRP COCCC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000164392589 135226581 /nfs/dbraw/zinc/22/65/81/135226581.db2.gz JBGNIOJYOZUUSS-TUAOUCFPSA-N 2 0 212.337 1.082 20 0 BDADRP Cc1ncccc1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000261587929 135228214 /nfs/dbraw/zinc/22/82/14/135228214.db2.gz RYUNGSWYDMZDAM-PWSUYJOCSA-N 2 0 219.332 1.559 20 0 BDADRP COCC1(C)CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000261592004 135232827 /nfs/dbraw/zinc/23/28/27/135232827.db2.gz VQHIZBWCQBWROT-UHFFFAOYSA-N 2 0 214.353 1.472 20 0 BDADRP Cc1ncccc1C[NH+]1CCC(C[NH3+])CC1 ZINC000261594246 135234546 /nfs/dbraw/zinc/23/45/46/135234546.db2.gz XJOZBVMECQLKFJ-UHFFFAOYSA-N 2 0 219.332 1.561 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000261596174 135235828 /nfs/dbraw/zinc/23/58/28/135235828.db2.gz YOVHKFXWZPGIFH-VXGBXAGGSA-N 2 0 212.337 1.084 20 0 BDADRP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000261706994 135247069 /nfs/dbraw/zinc/24/70/69/135247069.db2.gz JTHAKSXQUPLSDV-GWCFXTLKSA-N 2 0 247.342 1.075 20 0 BDADRP C[C@@]1(C[NH3+])CC[N@H+](Cc2cccc3c[nH]nc32)C1 ZINC000261728734 135248162 /nfs/dbraw/zinc/24/81/62/135248162.db2.gz OEHLCPQZYUHTKL-AWEZNQCLSA-N 2 0 244.342 1.734 20 0 BDADRP C[C@@H]1CN(C[C@@]2(C)CC[NH2+]C2)C[C@@H](C2CC2)O1 ZINC000261734710 135249181 /nfs/dbraw/zinc/24/91/81/135249181.db2.gz HPNGHVSAAIGICJ-XBFCOCLRSA-N 2 0 238.375 1.485 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](Cc2cccc3c2NCC3)C1 ZINC000261821872 135255139 /nfs/dbraw/zinc/25/51/39/135255139.db2.gz XZSRQJUCXCZVFC-OAHLLOKOSA-N 2 0 245.370 1.825 20 0 BDADRP CC[C@]1(CO)CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000261819443 135255433 /nfs/dbraw/zinc/25/54/33/135255433.db2.gz IGYYTWGFLNBVTL-AWEZNQCLSA-N 2 0 240.391 1.471 20 0 BDADRP COC(=O)[C@@]1(C)CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261835701 135256209 /nfs/dbraw/zinc/25/62/09/135256209.db2.gz JJSIECQNWOHUCO-CYBMUJFWSA-N 2 0 240.347 1.014 20 0 BDADRP C[C@H]([NH3+])CC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000261852150 135256866 /nfs/dbraw/zinc/25/68/66/135256866.db2.gz OVGGQTFKQMHTQX-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP C[C@@H](CNC1=[NH+]CCCN1)[N@@H+]1CCCC[C@H]1C ZINC000261872596 135259068 /nfs/dbraw/zinc/25/90/68/135259068.db2.gz PDCCTNXEGVWDJD-NEPJUHHUSA-N 2 0 238.379 1.188 20 0 BDADRP c1cn(C[C@@H]2CCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)cn1 ZINC000261932041 135264191 /nfs/dbraw/zinc/26/41/91/135264191.db2.gz LREIKDXLGGILBN-KGLIPLIRSA-N 3 0 248.374 1.347 20 0 BDADRP CCC1(CO)CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261932771 135264619 /nfs/dbraw/zinc/26/46/19/135264619.db2.gz CWYVHCPPUVFONB-ZDUSSCGKSA-N 2 0 240.391 1.471 20 0 BDADRP CCOC(=O)C[C@@H](C)[N@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000261953969 135266375 /nfs/dbraw/zinc/26/63/75/135266375.db2.gz GKFAVNJUEIDVRW-YPMHNXCESA-N 2 0 242.363 1.260 20 0 BDADRP COC(=O)C(C)(C)CC[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000261975079 135269197 /nfs/dbraw/zinc/26/91/97/135269197.db2.gz QQXZKNKRAPZIBB-MNOVXSKESA-N 2 0 242.363 1.245 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](CC(C)(C)COC)C1 ZINC000262029309 135273623 /nfs/dbraw/zinc/27/36/23/135273623.db2.gz WXWIZILAGJPHES-LBPRGKRZSA-N 2 0 228.380 1.590 20 0 BDADRP CCC[N@H+](CC[C@@H]1CCOC1)C1CC[NH2+]CC1 ZINC000262034456 135274746 /nfs/dbraw/zinc/27/47/46/135274746.db2.gz XPDUGSUPXMLPLM-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP CC(C)[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCN1C ZINC000262037171 135275310 /nfs/dbraw/zinc/27/53/10/135275310.db2.gz XWZIWWDNVXVWIQ-CQSZACIVSA-N 2 0 239.407 1.258 20 0 BDADRP C[NH2+]CCC(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000262066825 135276598 /nfs/dbraw/zinc/27/65/98/135276598.db2.gz JCABUYMALSORMH-UHFFFAOYSA-N 2 0 247.342 1.034 20 0 BDADRP CCC1CC([NH2+]CC2CC[NH+](CCO)CC2)C1 ZINC000342691476 135305409 /nfs/dbraw/zinc/30/54/09/135305409.db2.gz UHHKMLUXFVCDBS-UHFFFAOYSA-N 2 0 240.391 1.469 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@@](C)([NH3+])CCC ZINC000262615216 135308730 /nfs/dbraw/zinc/30/87/30/135308730.db2.gz XWTKFGVSCOWVDX-PWSUYJOCSA-N 2 0 229.368 1.138 20 0 BDADRP CC(C)[C@](C)(C[NH3+])NC(=O)CCCCCC[NH3+] ZINC000262626121 135309599 /nfs/dbraw/zinc/30/95/99/135309599.db2.gz LTNRCFFMJUFROD-ZDUSSCGKSA-N 2 0 243.395 1.385 20 0 BDADRP C[C@H]1[NH2+]CCN(C(=O)CCCCCC[NH3+])[C@H]1C ZINC000262698005 135314375 /nfs/dbraw/zinc/31/43/75/135314375.db2.gz AEFLDIMOWPKAAC-NEPJUHHUSA-N 2 0 241.379 1.104 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)NC[C@H](C)[NH+](CC)CC ZINC000262718086 135315364 /nfs/dbraw/zinc/31/53/64/135315364.db2.gz WZJKEBFEAOFQHO-AAEUAGOBSA-N 2 0 243.395 1.350 20 0 BDADRP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000263258730 135342453 /nfs/dbraw/zinc/34/24/53/135342453.db2.gz QQWMPPBTGVMFSI-ZOBORPQBSA-N 2 0 238.375 1.125 20 0 BDADRP C[NH+](C)CC1CC[NH+](CC2(O)CCCC2)CC1 ZINC000087463855 135506912 /nfs/dbraw/zinc/50/69/12/135506912.db2.gz GJCAUIAQSVKXRO-UHFFFAOYSA-N 2 0 240.391 1.565 20 0 BDADRP Cc1cc(N2CC[C@]3(C2)CCC[NH2+]C3)cc[nH+]1 ZINC000334996320 135861296 /nfs/dbraw/zinc/86/12/96/135861296.db2.gz QDFFDNHXWFCJLI-CQSZACIVSA-N 2 0 231.343 1.970 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2C(F)F)[C@H](C)C1 ZINC000348185647 136044639 /nfs/dbraw/zinc/04/46/39/136044639.db2.gz QGSOOUUZVCNUDB-CHWFTXMASA-N 2 0 232.318 1.960 20 0 BDADRP C[C@@H]1COCC[C@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000335368095 136081842 /nfs/dbraw/zinc/08/18/42/136081842.db2.gz XKEYIYRAMVIJSP-BLYZHGLHSA-N 2 0 240.391 1.874 20 0 BDADRP F[C@H]1CCC[C@@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC000335386118 136088989 /nfs/dbraw/zinc/08/89/89/136088989.db2.gz MZXYFYWKPNEAIU-GXSJLCMTSA-N 2 0 200.301 1.609 20 0 BDADRP Cc1cnc([C@@H](C)[NH+]2CCC(C[NH3+])CC2)o1 ZINC000335387057 136089439 /nfs/dbraw/zinc/08/94/39/136089439.db2.gz PYRVVNBXDQFBRK-SNVBAGLBSA-N 2 0 223.320 1.715 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@@H]3CCCOC3)C2)C1 ZINC000335569730 136108602 /nfs/dbraw/zinc/10/86/02/136108602.db2.gz DAKKXWSPMIAGPM-UONOGXRCSA-N 2 0 238.375 1.441 20 0 BDADRP C[C@@]1(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)CC[NH2+]C1 ZINC000647514050 397771404 /nfs/dbraw/zinc/77/14/04/397771404.db2.gz DHNLECZQGVWBJP-TZMCWYRMSA-N 2 0 248.374 1.589 20 0 BDADRP c1cc([C@H]2CCC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)n[nH]1 ZINC000647514038 397771648 /nfs/dbraw/zinc/77/16/48/397771648.db2.gz AYZWPHMQMHBVCX-STQMWFEESA-N 2 0 248.374 1.589 20 0 BDADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000647540360 397782744 /nfs/dbraw/zinc/78/27/44/397782744.db2.gz LJYJMHIFRPGGGZ-CYDGBPFRSA-N 3 0 243.370 1.006 20 0 BDADRP C[C@@H]1[C@H](C)N(C[C@H]2CCC[NH+]2C)CC[N@H+]1C ZINC000649573197 397965330 /nfs/dbraw/zinc/96/53/30/397965330.db2.gz XIVZMWRSPDPRRD-FRRDWIJNSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CCCCO1 ZINC000382300548 397934258 /nfs/dbraw/zinc/93/42/58/397934258.db2.gz TUOAXGLYGORCEJ-WUHRBBMRSA-N 2 0 226.364 1.804 20 0 BDADRP C[C@@H]1C[C@H](N(C)C[C@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000649547188 397938459 /nfs/dbraw/zinc/93/84/59/397938459.db2.gz NIZGKKQYSUEZKD-MGPQQGTHSA-N 2 0 239.407 1.495 20 0 BDADRP CO[C@H](C)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000373311681 398020432 /nfs/dbraw/zinc/02/04/32/398020432.db2.gz SUGAUWDUUGACDU-YIYPIFLZSA-N 2 0 238.375 1.437 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCNC[C@](C)(F)C2)CC[NH2+]1 ZINC000414764838 398027879 /nfs/dbraw/zinc/02/78/79/398027879.db2.gz BEKXLAOCUFVXLT-AGIUHOORSA-N 2 0 243.370 1.008 20 0 BDADRP C[C@@H]1C[C@H]1C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000414767488 398031054 /nfs/dbraw/zinc/03/10/54/398031054.db2.gz GFUJCWQQKWASST-CABNGKKXSA-N 2 0 238.375 1.471 20 0 BDADRP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)C1CC[NH+](C)CC1 ZINC000383660652 398032927 /nfs/dbraw/zinc/03/29/27/398032927.db2.gz JGMCYRIOWVKLPN-QWHCGFSZSA-N 3 0 241.423 1.504 20 0 BDADRP Cc1ccc(CCC[NH2+]C[C@@H]([NH3+])C(C)C)cn1 ZINC000414792156 398038957 /nfs/dbraw/zinc/03/89/57/398038957.db2.gz IVGHJBCCJQKXSK-CQSZACIVSA-N 2 0 235.375 1.896 20 0 BDADRP COC1(C[NH2+]CC(C)(C)[NH3+])CCCC1 ZINC000389251371 398061120 /nfs/dbraw/zinc/06/11/20/398061120.db2.gz DPMPLHYLHKCOMX-UHFFFAOYSA-N 2 0 200.326 1.273 20 0 BDADRP C[C@@H](C[NH2+]C[C@H]1CC[NH2+]C1)CC1CCOCC1 ZINC000414917638 398092377 /nfs/dbraw/zinc/09/23/77/398092377.db2.gz SCUTXJZGFLVZHL-OCCSQVGLSA-N 2 0 240.391 1.638 20 0 BDADRP CC[C@@H](C)C[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000093067190 398094164 /nfs/dbraw/zinc/09/41/64/398094164.db2.gz NCLZLLIODOGBKI-CHWSQXEVSA-N 2 0 227.396 1.258 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)O1 ZINC000398121633 322865032 /nfs/dbraw/zinc/86/50/32/322865032.db2.gz RCWGGKXLOSIQRL-FDYHWXHSSA-N 2 0 226.364 1.532 20 0 BDADRP c1cc(C[NH2+]CC[C@H]2CCC[NH2+]C2)ccn1 ZINC000258718855 322876829 /nfs/dbraw/zinc/87/68/29/322876829.db2.gz LNWKBHIIEPJADJ-GFCCVEGCSA-N 2 0 219.332 1.561 20 0 BDADRP Fc1ccccc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000258891293 322878101 /nfs/dbraw/zinc/87/81/01/322878101.db2.gz CNSFICZTVDLLQA-LLVKDONJSA-N 2 0 222.307 1.915 20 0 BDADRP C(C[NH2+]CC1CCCCC1)CN1CC[NH2+]CC1 ZINC000258934252 322880124 /nfs/dbraw/zinc/88/01/24/322880124.db2.gz PJFIILDNBBFPBE-UHFFFAOYSA-N 2 0 239.407 1.452 20 0 BDADRP C[C@@H]1CN(CCC[NH3+])c2cc(F)ccc2C[NH2+]1 ZINC000334841491 487567718 /nfs/dbraw/zinc/56/77/18/487567718.db2.gz NQPGWXPYZBOKCO-SNVBAGLBSA-N 2 0 237.322 1.473 20 0 BDADRP CC(C)[C@H](C)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000081058718 487577162 /nfs/dbraw/zinc/57/71/62/487577162.db2.gz JLAQLGVXVGXCGR-CHWSQXEVSA-N 2 0 228.380 1.325 20 0 BDADRP CC(C)OCC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357101318 167231404 /nfs/dbraw/zinc/23/14/04/167231404.db2.gz HJVZLCWNRRKUGA-CQSZACIVSA-N 2 0 240.391 1.733 20 0 BDADRP CC(C)OCC[NH+]1CCC(C[NH3+])CC1 ZINC000049259814 167231450 /nfs/dbraw/zinc/23/14/50/167231450.db2.gz MZJVEOTZYUENOP-UHFFFAOYSA-N 2 0 200.326 1.082 20 0 BDADRP CCOc1ccc(C[NH2+]CCC[NH3+])cc1OC ZINC000037713464 487600426 /nfs/dbraw/zinc/60/04/26/487600426.db2.gz RXWDZVQFXOWWEP-UHFFFAOYSA-N 2 0 238.331 1.532 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1)C1CCC1 ZINC000662264209 409560396 /nfs/dbraw/zinc/56/03/96/409560396.db2.gz CGIUPBSCYXOKQU-RAIGVLPGSA-N 2 0 226.364 1.471 20 0 BDADRP C[C@](C[NH3+])([NH2+]CCOCc1ccccc1)C1CC1 ZINC000662247907 409543651 /nfs/dbraw/zinc/54/36/51/409543651.db2.gz OLIZSVIPSLPTMC-OAHLLOKOSA-N 2 0 248.370 1.920 20 0 BDADRP CO[C@H](C[NH2+][C@@](C)(C[NH3+])C1CC1)C1CCCC1 ZINC000662248193 409543955 /nfs/dbraw/zinc/54/39/55/409543955.db2.gz VXHPBLBJYRLEIC-KGLIPLIRSA-N 2 0 240.391 1.909 20 0 BDADRP CO[C@@H](C[NH2+][C@@](C)(C[NH3+])C1CC1)C1CCCC1 ZINC000662248192 409544949 /nfs/dbraw/zinc/54/49/49/409544949.db2.gz VXHPBLBJYRLEIC-KBPBESRZSA-N 2 0 240.391 1.909 20 0 BDADRP CN(CCC(=O)Nc1ccccc1)CC(C)(C)[NH3+] ZINC000662293999 409625015 /nfs/dbraw/zinc/62/50/15/409625015.db2.gz ZBHGMDQAOTZQBM-UHFFFAOYSA-N 2 0 249.358 1.684 20 0 BDADRP Cc1nocc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000662271975 409578795 /nfs/dbraw/zinc/57/87/95/409578795.db2.gz CNFXGVUGTKUHOE-CYBMUJFWSA-N 2 0 249.358 1.805 20 0 BDADRP C1=CCC(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)C1 ZINC000662274962 409584589 /nfs/dbraw/zinc/58/45/89/409584589.db2.gz ZNRIDYKDBRJDDZ-QWHCGFSZSA-N 2 0 206.333 1.636 20 0 BDADRP FC1(F)C[C@@H]1OCCN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000662274820 409585458 /nfs/dbraw/zinc/58/54/58/409585458.db2.gz XIZVHJIJOGDFAY-AXFHLTTASA-N 2 0 246.301 1.094 20 0 BDADRP C1=CCC(C[N@@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)C1 ZINC000662276417 409591601 /nfs/dbraw/zinc/59/16/01/409591601.db2.gz MMAWBWSWTWUAAM-CHWSQXEVSA-N 2 0 206.333 1.636 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCS[C@H]1C ZINC000308505731 409767691 /nfs/dbraw/zinc/76/76/91/409767691.db2.gz DYTDBLFLDQFQMZ-VWYCJHECSA-N 2 0 216.394 1.988 20 0 BDADRP Cc1ccc(CC[NH2+][C@@H](C)CCC[NH3+])o1 ZINC000584047288 409791624 /nfs/dbraw/zinc/79/16/24/409791624.db2.gz GPFYEKQRARXWJV-JTQLQIEISA-N 2 0 210.321 1.848 20 0 BDADRP C[C@H]([NH3+])CCC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662621829 409793642 /nfs/dbraw/zinc/79/36/42/409793642.db2.gz XAACXYSNUYEGHJ-QWRGUYRKSA-N 2 0 241.379 1.103 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)[C@@H](C)O)C[NH+]1CCCC1 ZINC000087129789 487612012 /nfs/dbraw/zinc/61/20/12/487612012.db2.gz YMZQAYTXLQNXTI-GRYCIOLGSA-N 2 0 214.353 1.077 20 0 BDADRP Cc1n[nH]cc1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709306 410339734 /nfs/dbraw/zinc/33/97/34/410339734.db2.gz QBXHTNCMBLMBCQ-STQMWFEESA-N 2 0 234.347 1.279 20 0 BDADRP C[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)[C@H]1CC[NH3+] ZINC000650712144 410342053 /nfs/dbraw/zinc/34/20/53/410342053.db2.gz SJDCVVJKDZBZGI-JSGCOSHPSA-N 3 0 239.407 1.435 20 0 BDADRP COc1cccc(C[NH2+]CCC2(C[NH3+])CC2)c1 ZINC000650711874 410342607 /nfs/dbraw/zinc/34/26/07/410342607.db2.gz GZVMJUXTHLGVGR-UHFFFAOYSA-N 2 0 234.343 1.914 20 0 BDADRP [NH3+]CC1(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000650713990 410344942 /nfs/dbraw/zinc/34/49/42/410344942.db2.gz MGWJMBRCHUOLKQ-FRRDWIJNSA-N 3 0 237.391 1.093 20 0 BDADRP C[C@H](CC1CCOCC1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650714050 410347105 /nfs/dbraw/zinc/34/71/05/410347105.db2.gz OYYQOUMJAAAVNP-GFCCVEGCSA-N 2 0 240.391 1.910 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650714104 410347284 /nfs/dbraw/zinc/34/72/84/410347284.db2.gz RLSNTVSNMKKYFD-NEPJUHHUSA-N 3 0 225.380 1.236 20 0 BDADRP [NH3+]CC1(CC[NH2+]C2Cc3ccccc3C2)CC1 ZINC000650713345 410349266 /nfs/dbraw/zinc/34/92/66/410349266.db2.gz PNJZTDLWAYYROW-UHFFFAOYSA-N 2 0 230.355 1.872 20 0 BDADRP CC(C)[C@@H]1C[C@@H]([NH2+]CCC2(C[NH3+])CC2)CCO1 ZINC000650713406 410350179 /nfs/dbraw/zinc/35/01/79/410350179.db2.gz RVYXYYCEPIZYQF-STQMWFEESA-N 2 0 240.391 1.909 20 0 BDADRP [NH3+]CCC[NH2+]CC[C@@H]1CCc2ccccc2N1 ZINC000650721172 410357858 /nfs/dbraw/zinc/35/78/58/410357858.db2.gz TVQUGPBZDYYTJF-ZDUSSCGKSA-N 2 0 233.359 1.742 20 0 BDADRP CC[C@H](COC)[NH2+]Cc1ccccc1C[NH2+]C ZINC000650720174 410358317 /nfs/dbraw/zinc/35/83/17/410358317.db2.gz HAABUZPQSRCYBI-CQSZACIVSA-N 2 0 236.359 1.921 20 0 BDADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CC2CC2)C1 ZINC000650723186 410359307 /nfs/dbraw/zinc/35/93/07/410359307.db2.gz IQYNYWOSIZAZIM-HZSPNIEDSA-N 2 0 238.375 1.757 20 0 BDADRP CC(C)C[N@H+](C)CCCN[C@H]1C[NH2+]CC[C@H]1C ZINC000650740402 410372628 /nfs/dbraw/zinc/37/26/28/410372628.db2.gz LYGSEUUCFMZAIO-KGLIPLIRSA-N 2 0 241.423 1.552 20 0 BDADRP CC[C@H]([NH2+]CCC1(C[NH3+])CC1)[C@@H]1CCOC1 ZINC000650746006 410384372 /nfs/dbraw/zinc/38/43/72/410384372.db2.gz UBGQNOUMHSNNFN-NEPJUHHUSA-N 2 0 226.364 1.520 20 0 BDADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1cccc(CO)c1 ZINC000650745950 410384477 /nfs/dbraw/zinc/38/44/77/410384477.db2.gz RVEVONJFKWQWHA-GFCCVEGCSA-N 2 0 248.370 1.959 20 0 BDADRP C[C@H]1COCC[C@@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650746523 410384888 /nfs/dbraw/zinc/38/48/88/410384888.db2.gz DWEDVOMZAKOAHO-QWRGUYRKSA-N 2 0 212.337 1.130 20 0 BDADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1cccnc1 ZINC000650745967 410385226 /nfs/dbraw/zinc/38/52/26/410385226.db2.gz SHLAQZRGPWNXNM-NSHDSACASA-N 2 0 219.332 1.861 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CNc2ccccc2C1 ZINC000650748123 410388723 /nfs/dbraw/zinc/38/87/23/410388723.db2.gz NMWYUQGGODIFNW-KCQAQPDRSA-N 2 0 245.370 1.740 20 0 BDADRP C[NH2+]Cc1ccccc1CN[C@@H]1C[NH2+]CC[C@H]1C ZINC000650755576 410402394 /nfs/dbraw/zinc/40/23/94/410402394.db2.gz IEQMWKDZCUAVAS-IUODEOHRSA-N 2 0 247.386 1.494 20 0 BDADRP C[NH2+]Cc1ccccc1CN[C@@H]1CCC[C@@H]1[NH3+] ZINC000650756300 410403310 /nfs/dbraw/zinc/40/33/10/410403310.db2.gz YXKJWQCAYLSNFA-UONOGXRCSA-N 2 0 233.359 1.375 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CCOC[C@H]1C ZINC000650757021 410404826 /nfs/dbraw/zinc/40/48/26/410404826.db2.gz MNPPJORDAKJALC-DOMZBBRYSA-N 2 0 248.370 1.921 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)[C@H](C)OC ZINC000650758163 410407027 /nfs/dbraw/zinc/40/70/27/410407027.db2.gz KOGGWEKYPGPQLI-NEPJUHHUSA-N 2 0 236.359 1.919 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](COC)C1CC1 ZINC000650758143 410407503 /nfs/dbraw/zinc/40/75/03/410407503.db2.gz KCVBWZYIHUBYIQ-HNNXBMFYSA-N 2 0 248.370 1.921 20 0 BDADRP C[C@H](Cc1cnccn1)[NH2+]CCC1CC[NH2+]CC1 ZINC000650761613 410409627 /nfs/dbraw/zinc/40/96/27/410409627.db2.gz FHNFGVUVIGQBLS-GFCCVEGCSA-N 2 0 248.374 1.387 20 0 BDADRP C[C@H]1OCC[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650762981 410411672 /nfs/dbraw/zinc/41/16/72/410411672.db2.gz OIHZOJOBSPSCLM-ZYHUDNBSSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H]1OCC[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650762980 410411755 /nfs/dbraw/zinc/41/17/55/410411755.db2.gz OIHZOJOBSPSCLM-PWSUYJOCSA-N 2 0 212.337 1.143 20 0 BDADRP OC1CCC([NH2+]CCC2CC[NH2+]CC2)CC1 ZINC000650762491 410411798 /nfs/dbraw/zinc/41/17/98/410411798.db2.gz BYDQPCLFYYVXAT-UHFFFAOYSA-N 2 0 226.364 1.269 20 0 BDADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1cn[nH]c1 ZINC000650762301 410411970 /nfs/dbraw/zinc/41/19/70/410411970.db2.gz ZFIQZWZXJJQSJD-SNVBAGLBSA-N 2 0 222.336 1.450 20 0 BDADRP C(CC1CC[NH2+]CC1)[NH2+][C@@H]1CCCSC1 ZINC000650762779 410412230 /nfs/dbraw/zinc/41/22/30/410412230.db2.gz JZOXLZLACYEAHB-GFCCVEGCSA-N 2 0 228.405 1.861 20 0 BDADRP CC[C@H]([NH2+]CCC1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000650762259 410412753 /nfs/dbraw/zinc/41/27/53/410412753.db2.gz YITXQNRKHZXXHO-KBPBESRZSA-N 3 0 239.407 1.496 20 0 BDADRP Cc1cccc(C)c1CN1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000130904342 410522046 /nfs/dbraw/zinc/52/20/46/410522046.db2.gz MCQNUFLIXKHFSN-HIFRSBDPSA-N 2 0 248.370 1.851 20 0 BDADRP CCCC[N@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000308791384 410746053 /nfs/dbraw/zinc/74/60/53/410746053.db2.gz BCXNMHWXTXBKLY-GFCCVEGCSA-N 2 0 216.369 1.419 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@](C)(CC)C1 ZINC000309276217 410701908 /nfs/dbraw/zinc/70/19/08/410701908.db2.gz SCNOLNNIWDFORI-STQMWFEESA-N 2 0 228.380 1.421 20 0 BDADRP CO[C@@H](C)[C@@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC000665249415 410731668 /nfs/dbraw/zinc/73/16/68/410731668.db2.gz PUFAYCXKYCDXRQ-ZJUUUORDSA-N 2 0 200.326 1.271 20 0 BDADRP CC[C@H]([NH2+]CC[C@@H]([NH3+])C(C)C)[C@H]1CCOC1 ZINC000665280821 410756520 /nfs/dbraw/zinc/75/65/20/410756520.db2.gz MJCFIGWPKDYYPJ-XQQFMLRXSA-N 2 0 228.380 1.765 20 0 BDADRP CC[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)C(C)(C)O ZINC000394008841 410773826 /nfs/dbraw/zinc/77/38/26/410773826.db2.gz GWRNUBDGMGBBIX-WCQYABFASA-N 2 0 242.407 1.856 20 0 BDADRP C[C@H]([NH3+])[C@@H]1C[N@H+](C[C@@H]2CCCC[C@H]2C)CCO1 ZINC000394864324 410828882 /nfs/dbraw/zinc/82/88/82/410828882.db2.gz SHWJVGZJJSMFOZ-RFGFWPKPSA-N 2 0 240.391 1.861 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+]CC2)[C@H](C)O1 ZINC000395042844 410834438 /nfs/dbraw/zinc/83/44/38/410834438.db2.gz JVSJPWKAAJOYTP-RHYQMDGZSA-N 2 0 212.337 1.284 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)C1CC[NH+](C)CC1 ZINC000396458297 410881586 /nfs/dbraw/zinc/88/15/86/410881586.db2.gz OGYMXMUNIAEWDK-WCQYABFASA-N 3 0 225.380 1.058 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)C1CC[NH+](C)CC1 ZINC000396440249 410883638 /nfs/dbraw/zinc/88/36/38/410883638.db2.gz KSBROIRIANALCA-GFCCVEGCSA-N 3 0 239.407 1.306 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])C1CC[NH+](C)CC1 ZINC000396449885 410883821 /nfs/dbraw/zinc/88/38/21/410883821.db2.gz SNUYZAKMBUVIBH-QWHCGFSZSA-N 3 0 241.423 1.824 20 0 BDADRP CC(C)[NH2+]CCCC[NH+]1CCOCC1 ZINC000037482864 167103054 /nfs/dbraw/zinc/10/30/54/167103054.db2.gz QPDHBUVCIFRNAR-UHFFFAOYSA-N 2 0 200.326 1.097 20 0 BDADRP CC(C)O[C@H]1C[C@@H]([NH2+]CCN(C)C)C1(C)C ZINC000336752075 167283099 /nfs/dbraw/zinc/28/30/99/167283099.db2.gz VKWAAUQCCBCXCU-NEPJUHHUSA-N 2 0 228.380 1.730 20 0 BDADRP CC(C)[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000037859789 167382305 /nfs/dbraw/zinc/38/23/05/167382305.db2.gz KJDIPNZFGGDRAA-VXGBXAGGSA-N 2 0 214.353 1.077 20 0 BDADRP CC[C@H]1C[N@H+](CCc2cnn(C)c2)CC[C@H]1[NH3+] ZINC000300016277 411076375 /nfs/dbraw/zinc/07/63/75/411076375.db2.gz MFQBZAQSIBGTQS-QWHCGFSZSA-N 2 0 236.363 1.022 20 0 BDADRP c1coc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000400940065 411163176 /nfs/dbraw/zinc/16/31/76/411163176.db2.gz AVMLIRIVJZJOFN-GRYCIOLGSA-N 2 0 220.316 1.757 20 0 BDADRP C1=C(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)COCC1 ZINC000400922760 411163350 /nfs/dbraw/zinc/16/33/50/411163350.db2.gz GIAIZZKDPPFVQJ-MGPQQGTHSA-N 2 0 236.359 1.311 20 0 BDADRP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400916033 411163844 /nfs/dbraw/zinc/16/38/44/411163844.db2.gz HNEZXYQQWLYVTO-MLGHIDQZSA-N 2 0 208.349 1.763 20 0 BDADRP CC[C@@H]1C[N@H+](CC[C@H]2CCOC2)CC[C@@H]1[NH3+] ZINC000400676888 411159015 /nfs/dbraw/zinc/15/90/15/411159015.db2.gz UZWHSHJJBILITO-XQQFMLRXSA-N 2 0 226.364 1.472 20 0 BDADRP c1ccc2c(CCN3CCC[NH2+]CC3)noc2c1 ZINC000655936770 411159741 /nfs/dbraw/zinc/15/97/41/411159741.db2.gz ONBLIPDBKBWKOP-UHFFFAOYSA-N 2 0 245.326 1.666 20 0 BDADRP [NH3+][C@H]1CCN(CCc2noc3ccccc32)C1 ZINC000655937125 411159836 /nfs/dbraw/zinc/15/98/36/411159836.db2.gz UEVLTHZCZLRPGD-JTQLQIEISA-N 2 0 231.299 1.403 20 0 BDADRP CCC(C)(C)[NH+]1CCN(C[C@H](C)[NH3+])CC1 ZINC000655948085 411161318 /nfs/dbraw/zinc/16/13/18/411161318.db2.gz XRIOCKGAXNCMKH-NSHDSACASA-N 2 0 213.369 1.140 20 0 BDADRP [NH3+]CCOCCN1Cc2cc(F)c(F)cc2C1 ZINC000655946402 411161357 /nfs/dbraw/zinc/16/13/57/411161357.db2.gz LJAZWFLXQISYRN-UHFFFAOYSA-N 2 0 242.269 1.256 20 0 BDADRP C[C@H](O)C[N@H+](CCCC1CC[NH2+]CC1)C1CC1 ZINC000655948938 411161669 /nfs/dbraw/zinc/16/16/69/411161669.db2.gz INOPXPGNUPTHDH-LBPRGKRZSA-N 2 0 240.391 1.611 20 0 BDADRP c1ccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)nc1 ZINC000400993087 411168353 /nfs/dbraw/zinc/16/83/53/411168353.db2.gz ARWSOYOQYPIGQQ-KCQAQPDRSA-N 2 0 245.370 1.602 20 0 BDADRP CC/C=C/C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400998192 411168527 /nfs/dbraw/zinc/16/85/27/411168527.db2.gz AIFGLNSYUPTUFU-SPZUQMAPSA-N 2 0 208.349 1.930 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C(C)(C)O ZINC000401002694 411168581 /nfs/dbraw/zinc/16/85/81/411168581.db2.gz ACLHPTRLSZXFQF-LOWDOPEQSA-N 2 0 240.391 1.514 20 0 BDADRP Cc1ccncc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401014096 411172082 /nfs/dbraw/zinc/17/20/82/411172082.db2.gz NSVMFHYEIAHBOZ-GZBFAFLISA-N 2 0 245.370 1.868 20 0 BDADRP Cc1ccncc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401014099 411172394 /nfs/dbraw/zinc/17/23/94/411172394.db2.gz NSVMFHYEIAHBOZ-KCQAQPDRSA-N 2 0 245.370 1.868 20 0 BDADRP COCC[C@@H](C)[NH2+][C@H]1CCN(C(C)(C)C)C1 ZINC000658091408 411242664 /nfs/dbraw/zinc/24/26/64/411242664.db2.gz MFSNAEKGJLRZHL-NEPJUHHUSA-N 2 0 228.380 1.874 20 0 BDADRP Cc1noc(C)c1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401045934 411174545 /nfs/dbraw/zinc/17/45/45/411174545.db2.gz VUEMTXUTDOZVOU-JHJVBQTASA-N 2 0 249.358 1.769 20 0 BDADRP c1csc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000401060198 411175711 /nfs/dbraw/zinc/17/57/11/411175711.db2.gz JIFGBLWCECUOFH-GMTAPVOTSA-N 2 0 237.372 1.621 20 0 BDADRP CCn1ccnc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401087346 411176430 /nfs/dbraw/zinc/17/64/30/411176430.db2.gz SBMAOSJQRSNPGX-JHJVBQTASA-N 2 0 248.374 1.381 20 0 BDADRP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCSC1 ZINC000401094123 411178049 /nfs/dbraw/zinc/17/80/49/411178049.db2.gz ZGBFVOLVJLMBAY-FVCCEPFGSA-N 2 0 240.416 1.717 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]CC2(O)CCCC2)C1 ZINC000656152925 411188380 /nfs/dbraw/zinc/18/83/80/411188380.db2.gz BGRLQVKBFHFMEA-TXEJJXNPSA-N 2 0 226.364 1.221 20 0 BDADRP Cc1nccn1CC[N@@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000661700460 411191715 /nfs/dbraw/zinc/19/17/15/411191715.db2.gz MKOPOMWKQLGZAB-QWHCGFSZSA-N 2 0 235.331 1.160 20 0 BDADRP C[C@@H]([NH2+][C@H](CO)CCF)C1CC[NH+](C)CC1 ZINC000652305782 411195209 /nfs/dbraw/zinc/19/52/09/411195209.db2.gz IXFMZOKDHUEUQY-PWSUYJOCSA-N 2 0 232.343 1.027 20 0 BDADRP Cc1occc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000656198116 411203019 /nfs/dbraw/zinc/20/30/19/411203019.db2.gz DYRLMLDKUOTEBQ-VXGBXAGGSA-N 2 0 208.305 1.948 20 0 BDADRP Cc1cnc(CC[NH2+][C@@H]2CCC[C@H]2C[NH3+])c(C)c1 ZINC000656199750 411204209 /nfs/dbraw/zinc/20/42/09/411204209.db2.gz BXSVYDYFZNUCHT-DZGCQCFKSA-N 2 0 247.386 1.958 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000656200384 411204228 /nfs/dbraw/zinc/20/42/28/411204228.db2.gz LURBMTFQOXCYCW-HZSPNIEDSA-N 3 0 239.407 1.578 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCC2CC[NH2+]CC2)C1 ZINC000656200357 411204255 /nfs/dbraw/zinc/20/42/55/411204255.db2.gz KEDJADBFEVIGRR-STQMWFEESA-N 3 0 225.380 1.236 20 0 BDADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCCC1CC1 ZINC000656200944 411206410 /nfs/dbraw/zinc/20/64/10/411206410.db2.gz ZOIYPIPPXWEQDX-UHTWSYAYSA-N 2 0 226.364 1.519 20 0 BDADRP COCC1(C[NH2+][C@H](C)C[C@H](C)[NH3+])CC1 ZINC000656201797 411208029 /nfs/dbraw/zinc/20/80/29/411208029.db2.gz ZMYCYASFKWLMQQ-VHSXEESVSA-N 2 0 200.326 1.128 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(C)COC2)[C@@H](C)C1 ZINC000223540252 411208101 /nfs/dbraw/zinc/20/81/01/411208101.db2.gz AWDSUEGGDNNFMY-RYUDHWBXSA-N 2 0 226.364 1.343 20 0 BDADRP Cc1cc(NC[C@H]2C[C@@H]([NH+](C)C)C2)cc[nH+]1 ZINC000656211914 411210748 /nfs/dbraw/zinc/21/07/48/411210748.db2.gz QYSDJAYVORKSDA-BJHJDKERSA-N 2 0 219.332 1.564 20 0 BDADRP C[C@H](O)C[N@H+](CC[C@H]1CCC[NH+]1C)C1CC1 ZINC000653902540 411217962 /nfs/dbraw/zinc/21/79/62/411217962.db2.gz VYKLAABVVIHJGR-NWDGAFQWSA-N 2 0 226.364 1.316 20 0 BDADRP COC[C@@H]([NH2+]C[C@H]1CCN1C(C)(C)C)C1CC1 ZINC000658056488 411222167 /nfs/dbraw/zinc/22/21/67/411222167.db2.gz LNIHEAFLWKNFRW-CHWSQXEVSA-N 2 0 240.391 1.874 20 0 BDADRP COC1CC(CC[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000658057878 411225913 /nfs/dbraw/zinc/22/59/13/411225913.db2.gz ZWUKZFRBWAVCSY-ZIHBUVQPSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CCC[NH+](C)C)CS1 ZINC000655684770 411227064 /nfs/dbraw/zinc/22/70/64/411227064.db2.gz WLHXYZKQDYZNAS-GHMZBOCLSA-N 2 0 216.394 1.812 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@@H]1CCC[C@H]1[NH3+] ZINC000422903572 411234445 /nfs/dbraw/zinc/23/44/45/411234445.db2.gz FRQDHOBUBHHWKU-QJPTWQEYSA-N 2 0 213.369 1.186 20 0 BDADRP CC[NH+]1CCC([NH2+]CC[C@H](COC)OC)CC1 ZINC000658084801 411234718 /nfs/dbraw/zinc/23/47/18/411234718.db2.gz OHOOWNCLEDKBMG-CYBMUJFWSA-N 2 0 244.379 1.112 20 0 BDADRP FCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400909841 411165553 /nfs/dbraw/zinc/16/55/53/411165553.db2.gz DVWXIDOAQTUQGT-GARJFASQSA-N 2 0 200.301 1.324 20 0 BDADRP Cc1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000400909328 411165605 /nfs/dbraw/zinc/16/56/05/411165605.db2.gz AUKAVVXFNOAULX-RBSFLKMASA-N 2 0 245.370 1.868 20 0 BDADRP C1[NH2+]C[C@H]2C[C@H]([NH2+]C3CCOCC3)CC[C@@H]12 ZINC000400969672 411166680 /nfs/dbraw/zinc/16/66/80/411166680.db2.gz LYENRCWIVVQQCQ-DMDPSCGWSA-N 2 0 224.348 1.143 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000400975323 411167690 /nfs/dbraw/zinc/16/76/90/411167690.db2.gz OVVXPBDAGDYMFW-DHGKCCLASA-N 2 0 238.375 1.532 20 0 BDADRP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000050952665 411269607 /nfs/dbraw/zinc/26/96/07/411269607.db2.gz CNFNVQLWTQCVTA-OLZOCXBDSA-N 2 0 240.391 1.875 20 0 BDADRP COC1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000050952623 411269626 /nfs/dbraw/zinc/26/96/26/411269626.db2.gz UUDUTULWIZPEOE-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP CC[N@H+](C[C@H]1CC[NH2+]C1)[C@@H]1CCCOC1 ZINC000402606139 411272840 /nfs/dbraw/zinc/27/28/40/411272840.db2.gz ULYMXMXAHZFFPI-NWDGAFQWSA-N 2 0 212.337 1.097 20 0 BDADRP CC(C)(C)[C@H]([NH3+])c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000656466716 411279127 /nfs/dbraw/zinc/27/91/27/411279127.db2.gz HHYCOTMEKSVXTH-GXSJLCMTSA-N 2 0 237.351 1.249 20 0 BDADRP CC(C)(C)[C@H]([NH3+])c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000656466720 411279346 /nfs/dbraw/zinc/27/93/46/411279346.db2.gz HHYCOTMEKSVXTH-MWLCHTKSSA-N 2 0 237.351 1.249 20 0 BDADRP COc1ccc(C[N@H+](C)C[C@H]2CC[NH2+]C2)cc1 ZINC000051889996 411285200 /nfs/dbraw/zinc/28/52/00/411285200.db2.gz ZTBPMYHYQOTFEG-ZDUSSCGKSA-N 2 0 234.343 1.737 20 0 BDADRP COc1cccc(C[N@H+](C)C[C@@H]2CC[NH2+]C2)c1 ZINC000051890069 411285676 /nfs/dbraw/zinc/28/56/76/411285676.db2.gz CABARAVIMODVOI-CYBMUJFWSA-N 2 0 234.343 1.737 20 0 BDADRP C(C[NH+]1CCN(C2CC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000051919170 411286395 /nfs/dbraw/zinc/28/63/95/411286395.db2.gz KFHGDVVZUZRKEA-ZDUSSCGKSA-N 2 0 237.391 1.156 20 0 BDADRP C(C[NH+]1CCN(C2CC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000051919169 411286567 /nfs/dbraw/zinc/28/65/67/411286567.db2.gz KFHGDVVZUZRKEA-CYBMUJFWSA-N 2 0 237.391 1.156 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]1[C@@H](C)O ZINC000661764167 411308346 /nfs/dbraw/zinc/30/83/46/411308346.db2.gz AOMLAJRYSOJBCN-CHWSQXEVSA-N 2 0 228.380 1.564 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H](CO)CC2CC2)CC[N@@H+]1C ZINC000658252118 411314418 /nfs/dbraw/zinc/31/44/18/411314418.db2.gz YQAQSCLMYIKVPQ-MRVWCRGKSA-N 2 0 240.391 1.467 20 0 BDADRP COCC[C@@H](C)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063197260 411349403 /nfs/dbraw/zinc/34/94/03/411349403.db2.gz CBLSLPZMYBFYII-TZMCWYRMSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@H]1C[N@H+](CCC[NH3+])[C@@H](CC)CO1 ZINC000403734698 411356501 /nfs/dbraw/zinc/35/65/01/411356501.db2.gz IIKMAPYMEVWNMT-QWRGUYRKSA-N 2 0 200.326 1.225 20 0 BDADRP CC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCCC[C@H]1CC ZINC000130522992 411357600 /nfs/dbraw/zinc/35/76/00/411357600.db2.gz JKKPCTSJCNICJL-VXGBXAGGSA-N 2 0 241.379 1.104 20 0 BDADRP COC1CCC([NH2+]CC2([NH3+])CCCC2)CC1 ZINC000656789575 411368810 /nfs/dbraw/zinc/36/88/10/411368810.db2.gz RECOIFOOTXVYQS-UHFFFAOYSA-N 2 0 226.364 1.805 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](NCC2([NH3+])CCCC2)C1 ZINC000656789380 411369300 /nfs/dbraw/zinc/36/93/00/411369300.db2.gz NOWJELAWBZMREA-MNOVXSKESA-N 2 0 211.353 1.117 20 0 BDADRP CC[C@@H](COC)[NH2+]CC1([NH3+])CCCC1 ZINC000656789098 411369612 /nfs/dbraw/zinc/36/96/12/411369612.db2.gz JAWRXJVTNWZFCZ-JTQLQIEISA-N 2 0 200.326 1.273 20 0 BDADRP C[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000656791589 411369958 /nfs/dbraw/zinc/36/99/58/411369958.db2.gz IGKBXIRIQBLFPI-NEPJUHHUSA-N 2 0 226.364 1.485 20 0 BDADRP [NH3+]C1(C[NH2+]C[C@H]2CCSC2)CCCC1 ZINC000656789724 411371174 /nfs/dbraw/zinc/37/11/74/411371174.db2.gz WKLQTULWONWALZ-SNVBAGLBSA-N 2 0 214.378 1.601 20 0 BDADRP c1ccc2c(c1)C[N@H+](CC1CC[NH2+]CC1)CCO2 ZINC000063012752 411333654 /nfs/dbraw/zinc/33/36/54/411333654.db2.gz YCJMOZBBZBVIRH-UHFFFAOYSA-N 2 0 246.354 1.881 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C1CCC(CO)CC1 ZINC000304562268 411372046 /nfs/dbraw/zinc/37/20/46/411372046.db2.gz GXMKXSXESSLCGA-MVKMKZAISA-N 2 0 226.364 1.255 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCOC2(C)C)CC[N@@H+]1C ZINC000658330412 411338564 /nfs/dbraw/zinc/33/85/64/411338564.db2.gz JGPXGNFKBMKDHN-AGIUHOORSA-N 2 0 240.391 1.874 20 0 BDADRP C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000659850430 411342274 /nfs/dbraw/zinc/34/22/74/411342274.db2.gz PMSINIXMUVPRIY-YOTBANQPSA-N 2 0 206.333 1.184 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@@H]2CCOC2(C)C)CC1 ZINC000658334398 411342644 /nfs/dbraw/zinc/34/26/44/411342644.db2.gz ZQXPMHQKCQMUOG-LBPRGKRZSA-N 2 0 240.391 1.875 20 0 BDADRP CC1(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)COC1 ZINC000336689747 168026493 /nfs/dbraw/zinc/02/64/93/168026493.db2.gz HUXRKNRDEUDFDW-CYBMUJFWSA-N 2 0 238.375 1.441 20 0 BDADRP C[C@@H]1CCC[N@H+](CCCF)[C@H]1CC[NH3+] ZINC000404305401 411389800 /nfs/dbraw/zinc/38/98/00/411389800.db2.gz RUMMUZWIUMSQLP-MNOVXSKESA-N 2 0 202.317 1.795 20 0 BDADRP c1cc(C[NH+]2CCCC2)n(-c2cc[nH+]cc2)n1 ZINC000657294573 411455446 /nfs/dbraw/zinc/45/54/46/411455446.db2.gz BAKJPRYTJQULJV-UHFFFAOYSA-N 2 0 228.299 1.863 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]CCC[N@H+](C)C(C)C)CO1 ZINC000657305974 411456659 /nfs/dbraw/zinc/45/66/59/411456659.db2.gz WNUKFRYWAQZTLN-CHWSQXEVSA-N 2 0 228.380 1.874 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CO1 ZINC000657313683 411460434 /nfs/dbraw/zinc/46/04/34/411460434.db2.gz MPPYWACTQBQCJE-IGQOVBAYSA-N 2 0 238.375 1.770 20 0 BDADRP CC(C)[NH2+]CC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000659314378 411392987 /nfs/dbraw/zinc/39/29/87/411392987.db2.gz XIROZWQCKNGURH-UHFFFAOYSA-N 2 0 233.315 1.226 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]C[C@@H](C)C[NH+]2CCCC2)CO1 ZINC000657319216 411460851 /nfs/dbraw/zinc/46/08/51/411460851.db2.gz VMPAKQLEIYFMCQ-MGPQQGTHSA-N 2 0 240.391 1.875 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653055125 411407338 /nfs/dbraw/zinc/40/73/38/411407338.db2.gz OWBADBWRUXZEJY-VXGBXAGGSA-N 2 0 241.379 1.010 20 0 BDADRP C([C@H]1CC[NH2+]C1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000382657609 411409185 /nfs/dbraw/zinc/40/91/85/411409185.db2.gz SFCVYWOVXOZQSJ-UONOGXRCSA-N 2 0 237.391 1.156 20 0 BDADRP Cn1cncc1CCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000653562114 411421602 /nfs/dbraw/zinc/42/16/02/411421602.db2.gz DLKXEPCCEPBJKD-BETUJISGSA-N 2 0 235.331 1.216 20 0 BDADRP CCO[C@@H]1C[N@H+](C[C@H](C)CC)C[C@H]1C[NH3+] ZINC000405385905 411427719 /nfs/dbraw/zinc/42/77/19/411427719.db2.gz PLWADGUGYREYTF-IJLUTSLNSA-N 2 0 214.353 1.328 20 0 BDADRP CCO[C@@H]1C[N@H+](Cc2cccc(C)c2)C[C@H]1C[NH3+] ZINC000405449876 411429138 /nfs/dbraw/zinc/42/91/38/411429138.db2.gz NTKYUFSNYJUXAK-HUUCEWRRSA-N 2 0 248.370 1.791 20 0 BDADRP Cc1cnn(CC[NH+]2CCC(CC[NH3+])CC2)c1 ZINC000306055743 411431974 /nfs/dbraw/zinc/43/19/74/411431974.db2.gz QWAQIHKOCKJJQN-UHFFFAOYSA-N 2 0 236.363 1.252 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]CCCC[NH+](C)C)CO1 ZINC000657334498 411463448 /nfs/dbraw/zinc/46/34/48/411463448.db2.gz BVSTYKNVLNSGHA-NWDGAFQWSA-N 2 0 214.353 1.485 20 0 BDADRP C[N@H+](CCC[NH3+])CCC(=O)Nc1ccccc1 ZINC000123288618 411440583 /nfs/dbraw/zinc/44/05/83/411440583.db2.gz QMSVAEKJBHAHQB-UHFFFAOYSA-N 2 0 235.331 1.296 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[NH2+][C@@H](C)CCCC[NH3+] ZINC000415011685 411488102 /nfs/dbraw/zinc/48/81/02/411488102.db2.gz HUZMQFIRQDZCED-NWDGAFQWSA-N 3 0 215.385 1.467 20 0 BDADRP Cc1ncc(C[NH2+]CCC[C@@H](C)CO)n1C ZINC000657418972 411501470 /nfs/dbraw/zinc/50/14/70/411501470.db2.gz IBFJVLJVXQRFDP-SNVBAGLBSA-N 2 0 225.336 1.227 20 0 BDADRP CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1CCC1 ZINC000659939481 411504255 /nfs/dbraw/zinc/50/42/55/411504255.db2.gz HQIRXKKEQPZIKM-CYBMUJFWSA-N 2 0 228.380 1.562 20 0 BDADRP Cc1ncc(C[NH2+]C[C@H]2CCSC2)n1C ZINC000657455506 411516681 /nfs/dbraw/zinc/51/66/81/411516681.db2.gz SAJLRYVEBRJQAW-SNVBAGLBSA-N 2 0 225.361 1.571 20 0 BDADRP CO[C@@H](C)[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805081 411519058 /nfs/dbraw/zinc/51/90/58/411519058.db2.gz BHFLNJOXQDUJOR-KXNHARMFSA-N 2 0 214.353 1.340 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1CCCOC1 ZINC000655804878 411519617 /nfs/dbraw/zinc/51/96/17/411519617.db2.gz DVNJHQIEPZPHSK-SYQHCUMBSA-N 2 0 240.391 1.731 20 0 BDADRP CC[NH+]1CCC([NH2+]CC2(COC)CC2)CC1 ZINC000655821373 411526650 /nfs/dbraw/zinc/52/66/50/411526650.db2.gz XMSYMBINUBHIIY-UHFFFAOYSA-N 2 0 226.364 1.487 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(COC)CC2)[C@@H](C)C1 ZINC000655817260 411528273 /nfs/dbraw/zinc/52/82/73/411528273.db2.gz JYKIUYJNFXEBRB-QWHCGFSZSA-N 2 0 240.391 1.733 20 0 BDADRP CC[N@@H+]1CC[C@@H](N(C)CCC[NH3+])C[C@@H]1C ZINC000309786298 170010212 /nfs/dbraw/zinc/01/02/12/170010212.db2.gz ODXBFKNCVVQDMC-NWDGAFQWSA-N 2 0 213.369 1.140 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](COC)CC(C)C)C1 ZINC000360412252 170016134 /nfs/dbraw/zinc/01/61/34/170016134.db2.gz GAANYNLLNBBEQI-KGLIPLIRSA-N 2 0 242.407 1.979 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)C2CCOCC2)C1 ZINC000353910404 170016581 /nfs/dbraw/zinc/01/65/81/170016581.db2.gz DLNCTJLCDZCIND-CHWSQXEVSA-N 2 0 240.391 1.733 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)Cn2cccn2)C1 ZINC000122132616 170017123 /nfs/dbraw/zinc/01/71/23/170017123.db2.gz HRYYWSYVGIIJLZ-QWHCGFSZSA-N 2 0 236.363 1.203 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3n[nH]cc32)C1 ZINC000367596086 170017258 /nfs/dbraw/zinc/01/72/58/170017258.db2.gz DBDLQSPWQDWUHS-DGCLKSJQSA-N 2 0 248.374 1.719 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)CCCC[NH3+])C1 ZINC000309186120 170017315 /nfs/dbraw/zinc/01/73/15/170017315.db2.gz BHZDAIMCYRTYIR-CHWSQXEVSA-N 3 0 227.396 1.435 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOC)C[C@@H]1C ZINC000336643137 170019253 /nfs/dbraw/zinc/01/92/53/170019253.db2.gz BPPLEZYZHOLHCR-RYUDHWBXSA-N 2 0 214.353 1.437 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCO2)C[C@H]1C ZINC000336682232 170019287 /nfs/dbraw/zinc/01/92/87/170019287.db2.gz DAQXADRQWFUXPO-RDBSUJKOSA-N 2 0 240.391 1.970 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC[C@H](C)O)C[C@@H]1C ZINC000336721336 170019381 /nfs/dbraw/zinc/01/93/81/170019381.db2.gz SODCCDZGGYBWSU-IHRRRGAJSA-N 2 0 242.407 1.952 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C2CCC(O)CC2)[C@H](C)C1 ZINC000305091763 170021160 /nfs/dbraw/zinc/02/11/60/170021160.db2.gz XXCKJDQECAIBHG-RYSNWHEDSA-N 2 0 240.391 1.610 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@](C)(O)C(C)C)[C@H](C)C1 ZINC000305099270 170021375 /nfs/dbraw/zinc/02/13/75/170021375.db2.gz AJKVUIMFBRTDHP-RDBSUJKOSA-N 2 0 242.407 1.713 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccncc2)[C@H](C)C1 ZINC000268988987 170021579 /nfs/dbraw/zinc/02/15/79/170021579.db2.gz FSDOJYBFMIGVKM-HIFRSBDPSA-N 2 0 247.386 1.944 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)C[C@H](C)O)[C@H](C)C1 ZINC000336777294 170022074 /nfs/dbraw/zinc/02/20/74/170022074.db2.gz IAASXGZKKZLXKH-NDBYEHHHSA-N 2 0 228.380 1.466 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CO1 ZINC000657505444 411539963 /nfs/dbraw/zinc/53/99/63/411539963.db2.gz ZLSBTXDKXLFZGA-FVCCEPFGSA-N 2 0 226.364 1.484 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@H]1C[N@H+](CC)C[C@@H]1C ZINC000355334732 170036148 /nfs/dbraw/zinc/03/61/48/170036148.db2.gz SMCQOMYAUNVBJX-MJBXVCDLSA-N 2 0 241.423 1.647 20 0 BDADRP COC1CC(CC[NH2+][C@@H]2CN(C)C[C@@H]2C)C1 ZINC000657528368 411542171 /nfs/dbraw/zinc/54/21/71/411542171.db2.gz YQVYUYXPJIIGLT-YWPUVAFDSA-N 2 0 226.364 1.341 20 0 BDADRP CC(C)(C)N1CC[C@@H]1C[NH2+][C@@H]1CCOC1 ZINC000657525538 411543101 /nfs/dbraw/zinc/54/31/01/411543101.db2.gz SKGASFSGZFAULV-GHMZBOCLSA-N 2 0 212.337 1.238 20 0 BDADRP C1CCN2CCC[C@H]([NH2+][C@@H]3CCCOC3)[C@@H]2C1 ZINC000655849473 411537950 /nfs/dbraw/zinc/53/79/50/411537950.db2.gz VNGCUWGCLYONND-RDBSUJKOSA-N 2 0 238.375 1.772 20 0 BDADRP CC[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000358922138 170158137 /nfs/dbraw/zinc/15/81/37/170158137.db2.gz BIELALVDDAMIBV-NQBHXWOUSA-N 2 0 241.379 1.008 20 0 BDADRP CCOC(=O)C[N@H+](CC1CC[NH2+]CC1)C1CC1 ZINC000094042599 170217236 /nfs/dbraw/zinc/21/72/36/170217236.db2.gz ZKBQGICRBYHZHG-UHFFFAOYSA-N 2 0 240.347 1.014 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH2+]C1(C2CC2)CC1 ZINC000660253650 411559982 /nfs/dbraw/zinc/55/99/82/411559982.db2.gz KPYQKXLTQARMNH-LBPRGKRZSA-N 2 0 226.364 1.220 20 0 BDADRP CCOC1CC([NH2+][C@@H]2CCCN(C)[C@H]2C)C1 ZINC000309648909 170328799 /nfs/dbraw/zinc/32/87/99/170328799.db2.gz NHMMBLKNJRYOKT-YWPUVAFDSA-N 2 0 226.364 1.626 20 0 BDADRP CCOCC[N@H+](CC)CC[C@@H]1CCC[NH+]1C ZINC000121115876 170395005 /nfs/dbraw/zinc/39/50/05/170395005.db2.gz RKWQJWBPEFJREY-ZDUSSCGKSA-N 2 0 228.380 1.829 20 0 BDADRP CCOC[C@H]([NH2+][C@@H](C)CCC[NH3+])C(C)C ZINC000308797465 170449869 /nfs/dbraw/zinc/44/98/69/170449869.db2.gz CTYAONIPLUHMOX-RYUDHWBXSA-N 2 0 216.369 1.765 20 0 BDADRP c1ncn2c1C[N@H+](CC[C@@H]1CCCCO1)CC2 ZINC000660581520 411602968 /nfs/dbraw/zinc/60/29/68/411602968.db2.gz FOCMDJYEDNFHDI-ZDUSSCGKSA-N 2 0 235.331 1.658 20 0 BDADRP C([NH2+][C@H]1CCOC1)C1CC[NH+](CC2CC2)CC1 ZINC000657812431 411603750 /nfs/dbraw/zinc/60/37/50/411603750.db2.gz BOSHNCBAUAHWDA-AWEZNQCLSA-N 2 0 238.375 1.487 20 0 BDADRP C[NH+](C)CCC[NH2+][C@H]1COC2(CCC2)C1 ZINC000657817882 411605419 /nfs/dbraw/zinc/60/54/19/411605419.db2.gz QJVBWQJVZAKSCH-LLVKDONJSA-N 2 0 212.337 1.239 20 0 BDADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCCF)C2 ZINC000660654919 411613349 /nfs/dbraw/zinc/61/33/49/411613349.db2.gz DBKNGYFIZAZCLQ-GFCCVEGCSA-N 2 0 214.328 1.764 20 0 BDADRP COC1([C@H](C)[NH2+]CC2CC[NH+](C)CC2)CCC1 ZINC000657872536 411615221 /nfs/dbraw/zinc/61/52/21/411615221.db2.gz NYSGKIMJMKFQBO-LBPRGKRZSA-N 2 0 240.391 1.875 20 0 BDADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCC(C)(C)O)C2 ZINC000660661007 411615297 /nfs/dbraw/zinc/61/52/97/411615297.db2.gz YNBXKNQRWDZPKR-CQSZACIVSA-N 2 0 240.391 1.565 20 0 BDADRP C[C@@H](CC1CCC1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663498366 411681018 /nfs/dbraw/zinc/68/10/18/411681018.db2.gz PGZIXGJBTRWQHE-PKSQDBQZSA-N 2 0 208.349 1.907 20 0 BDADRP COCC(C)(C)C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663500864 411683369 /nfs/dbraw/zinc/68/33/69/411683369.db2.gz PTMNWFWZEJDJSI-UHFFFAOYSA-N 2 0 212.337 1.001 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)Cn1cccn1 ZINC000663503675 411687621 /nfs/dbraw/zinc/68/76/21/411687621.db2.gz RSRJEZXKLNAPGF-VXGBXAGGSA-N 2 0 224.352 1.235 20 0 BDADRP C[NH2+]C[C@@H](C)NC1CC[NH+](CC2CC2)CC1 ZINC000663514719 411695100 /nfs/dbraw/zinc/69/51/00/411695100.db2.gz SJJAKTKZYNMOME-LLVKDONJSA-N 2 0 225.380 1.058 20 0 BDADRP C[NH2+]C[C@H](C)NC1CC[NH+](CC2CC2)CC1 ZINC000663514720 411695995 /nfs/dbraw/zinc/69/59/95/411695995.db2.gz SJJAKTKZYNMOME-NSHDSACASA-N 2 0 225.380 1.058 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)C(C)(C)CC ZINC000661231737 411738087 /nfs/dbraw/zinc/73/80/87/411738087.db2.gz PZHGLRVBOIBNJD-NWDGAFQWSA-N 2 0 230.396 1.713 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000661831616 411896281 /nfs/dbraw/zinc/89/62/81/411896281.db2.gz PNQNALSADURFHQ-JHJVBQTASA-N 2 0 238.375 1.364 20 0 BDADRP CC1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662248731 412046770 /nfs/dbraw/zinc/04/67/70/412046770.db2.gz CICMBSXLDBSOPB-GFCCVEGCSA-N 2 0 224.348 1.239 20 0 BDADRP C[N@H+](CCO[C@@H]1CC1(F)F)CC(C)(C)C[NH3+] ZINC000662248265 412046881 /nfs/dbraw/zinc/04/68/81/412046881.db2.gz XNRPPQINDKVMJA-SECBINFHSA-N 2 0 236.306 1.327 20 0 BDADRP CCC[NH+](CCC)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248697 412047521 /nfs/dbraw/zinc/04/75/21/412047521.db2.gz BDTOKCGSEKPOTF-LBPRGKRZSA-N 2 0 226.364 1.629 20 0 BDADRP CC[C@H](C)[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662253475 412048872 /nfs/dbraw/zinc/04/88/72/412048872.db2.gz WGZCHNKODHACDB-QWRGUYRKSA-N 2 0 212.337 1.238 20 0 BDADRP C[C@@H]1CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662254665 412049451 /nfs/dbraw/zinc/04/94/51/412049451.db2.gz SCQYDFNTPGUGDV-OLZOCXBDSA-N 2 0 238.375 1.629 20 0 BDADRP CC[C@@H]1C[C@@H](C)C[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662256601 412050768 /nfs/dbraw/zinc/05/07/68/412050768.db2.gz WSXCCYYUKDPVSW-UPJWGTAASA-N 2 0 238.375 1.628 20 0 BDADRP C[C@@H]1c2ccccc2CC[N@H+]1C[C@@H]1CNCCO1 ZINC000662258625 412053123 /nfs/dbraw/zinc/05/31/23/412053123.db2.gz VZMYMDRZUUGDJA-OCCSQVGLSA-N 2 0 246.354 1.594 20 0 BDADRP CC(C)[C@H]1C[N@H+](C[C@@H]2CNCCO2)CCS1 ZINC000662259185 412054491 /nfs/dbraw/zinc/05/44/91/412054491.db2.gz RMWMKZVHIOQPPL-NWDGAFQWSA-N 2 0 244.404 1.048 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662264248 412055557 /nfs/dbraw/zinc/05/55/57/412055557.db2.gz HADRUDYXUPLSLZ-NAWOPXAZSA-N 2 0 208.349 1.702 20 0 BDADRP C[NH2+]CCC1CC[NH+](Cc2cc(C)ncn2)CC1 ZINC000662265271 412056851 /nfs/dbraw/zinc/05/68/51/412056851.db2.gz OYFNTHBSYLUJLA-UHFFFAOYSA-N 2 0 248.374 1.607 20 0 BDADRP Cc1nocc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000662274253 412064805 /nfs/dbraw/zinc/06/48/05/412064805.db2.gz SJONQBIKAPVXBY-CHWSQXEVSA-N 2 0 249.358 1.805 20 0 BDADRP CC[C@@H]1CC[C@@H](C)[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662279834 412070825 /nfs/dbraw/zinc/07/08/25/412070825.db2.gz MEYDOFZTHBUCHI-JHJVBQTASA-N 2 0 238.375 1.770 20 0 BDADRP COC[C@H](C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+])OC ZINC000662285310 412076814 /nfs/dbraw/zinc/07/68/14/412076814.db2.gz JJFNYFSUVPYCRL-AGIUHOORSA-N 2 0 244.379 1.097 20 0 BDADRP Cc1nocc1C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000662285507 412076970 /nfs/dbraw/zinc/07/69/70/412076970.db2.gz KRQJDIQJWJHVEI-GWCFXTLKSA-N 2 0 237.347 1.932 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC2(C[NH2+]C2)O1)c1ccccn1 ZINC000662282273 412072221 /nfs/dbraw/zinc/07/22/21/412072221.db2.gz OFYUBMMEGROGOZ-NWDGAFQWSA-N 2 0 247.342 1.253 20 0 BDADRP CC[C@H](C)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000304631523 171283346 /nfs/dbraw/zinc/28/33/46/171283346.db2.gz VNLNKVRYLZYWCN-STQMWFEESA-N 2 0 225.380 1.012 20 0 BDADRP C(C[N@@H+]1CCC[C@@H]2OCC[C@@H]21)[C@H]1CCC[NH2+]C1 ZINC000662297127 412083601 /nfs/dbraw/zinc/08/36/01/412083601.db2.gz BCGKOIWXOIHHKW-RDBSUJKOSA-N 2 0 238.375 1.629 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@H]1C[NH+](C)C[C@H]1C ZINC000336732934 171308671 /nfs/dbraw/zinc/30/86/71/171308671.db2.gz JSNVWNHWHNHHKQ-AGIUHOORSA-N 2 0 227.396 1.256 20 0 BDADRP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000129159302 171322934 /nfs/dbraw/zinc/32/29/34/171322934.db2.gz FHPSHTVIXQJRPV-NWDGAFQWSA-N 2 0 241.379 1.023 20 0 BDADRP CCO[C@@H]1C[N@H+](CC2CC=CC2)C[C@H]1C[NH3+] ZINC000662286130 412078360 /nfs/dbraw/zinc/07/83/60/412078360.db2.gz ONILOOKWLSYWCO-CHWSQXEVSA-N 2 0 224.348 1.248 20 0 BDADRP CC[C@H](C)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000120982207 171341146 /nfs/dbraw/zinc/34/11/46/171341146.db2.gz SXAWQKORCNOWHS-STQMWFEESA-N 2 0 227.396 1.258 20 0 BDADRP [NH3+]CCOCC[NH+]1CCC(C2CCC2)CC1 ZINC000662299923 412086575 /nfs/dbraw/zinc/08/65/75/412086575.db2.gz ZTYOVTJCXYPPGP-UHFFFAOYSA-N 2 0 226.364 1.474 20 0 BDADRP [NH3+]C[C@H]1CCc2ccccc2N1C[C@H]1CC[NH2+]C1 ZINC000662304470 412089375 /nfs/dbraw/zinc/08/93/75/412089375.db2.gz JRPIYBFIZICALF-GXTWGEPZSA-N 2 0 245.370 1.376 20 0 BDADRP c1ccc(O[C@@H]2CC[N@@H+](C[C@H]3CC[NH2+]C3)C2)cc1 ZINC000662316141 412095582 /nfs/dbraw/zinc/09/55/82/412095582.db2.gz IWMMCSJADQHLDN-DZGCQCFKSA-N 2 0 246.354 1.749 20 0 BDADRP C(C[N@@H+]1CC[C@@H]2COC[C@@H]2C1)C1CC[NH2+]CC1 ZINC000662317419 412098617 /nfs/dbraw/zinc/09/86/17/412098617.db2.gz OVJQMGNGAFCAOC-KGLIPLIRSA-N 2 0 238.375 1.344 20 0 BDADRP C[NH2+]CCC[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662328217 412104638 /nfs/dbraw/zinc/10/46/38/412104638.db2.gz ZNCHTGALNKAHHN-OKILXGFUSA-N 2 0 238.375 1.489 20 0 BDADRP C[C@@]1(C(F)F)C[N@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000662336489 412107267 /nfs/dbraw/zinc/10/72/67/412107267.db2.gz YBTBAVBPECEQPT-JQWIXIFHSA-N 2 0 248.317 1.342 20 0 BDADRP Cc1ccncc1CC[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000665238769 412178085 /nfs/dbraw/zinc/17/80/85/412178085.db2.gz DAXDBSVDUJGMQZ-VXGBXAGGSA-N 2 0 221.348 1.648 20 0 BDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C/C=C/CO ZINC000665239407 412179630 /nfs/dbraw/zinc/17/96/30/412179630.db2.gz SQVYQGCEBUAUOV-FBVTZJDUSA-N 2 0 226.364 1.435 20 0 BDADRP C1C[C@@H](N[C@H]2CC[NH2+]C2)[C@@H]([C@H]2CCCC[NH2+]2)C1 ZINC000665241192 412184052 /nfs/dbraw/zinc/18/40/52/412184052.db2.gz CUVQIXFCDNVPEE-REWJHTLYSA-N 2 0 237.391 1.249 20 0 BDADRP CC[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+](C)C ZINC000040855289 171481793 /nfs/dbraw/zinc/48/17/93/171481793.db2.gz CWSMDGJUUUOHGX-ZDUSSCGKSA-N 2 0 249.358 1.102 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCO[C@H]1CC1(F)F ZINC000665244147 412186773 /nfs/dbraw/zinc/18/67/73/412186773.db2.gz HDHKLOPPKCUOKI-ZJUUUORDSA-N 2 0 236.306 1.518 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CCO[C@@H]1CC1(F)F ZINC000665244146 412187551 /nfs/dbraw/zinc/18/75/51/412187551.db2.gz HDHKLOPPKCUOKI-VHSXEESVSA-N 2 0 236.306 1.518 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCO[C@@H]1CC1(F)F ZINC000665244655 412188750 /nfs/dbraw/zinc/18/87/50/412188750.db2.gz SORPDPSRNZCUCT-GMTAPVOTSA-N 2 0 248.317 1.388 20 0 BDADRP CC[C@@H]([NH2+]CC1([NH3+])CCCC1)[C@@H]1CCOC1 ZINC000665248863 412194670 /nfs/dbraw/zinc/19/46/70/412194670.db2.gz DQPJNMSUVXVISJ-VXGBXAGGSA-N 2 0 226.364 1.663 20 0 BDADRP COC[C@H]([NH2+]CC1([NH3+])CCCC1)C(C)C ZINC000665248950 412195166 /nfs/dbraw/zinc/19/51/66/412195166.db2.gz GJUAOZSMZUQNFQ-NSHDSACASA-N 2 0 214.353 1.519 20 0 BDADRP CC[C@H]([NH2+]CC1([NH3+])CCCC1)[C@H]1CCOC1 ZINC000665248862 412195628 /nfs/dbraw/zinc/19/56/28/412195628.db2.gz DQPJNMSUVXVISJ-RYUDHWBXSA-N 2 0 226.364 1.663 20 0 BDADRP C[C@@H](CC[NH3+])NC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662552892 412215223 /nfs/dbraw/zinc/21/52/23/412215223.db2.gz UZORQYZPQKSTQM-GWCFXTLKSA-N 2 0 247.342 1.075 20 0 BDADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCCC1CCC1 ZINC000665266735 412210825 /nfs/dbraw/zinc/21/08/25/412210825.db2.gz IKGLKMSVBMAEME-YUTCNCBUSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H](N[C@@H](C)C[NH+]1CCC(C)CC1)C1C[NH2+]C1 ZINC000665272445 412213182 /nfs/dbraw/zinc/21/31/82/412213182.db2.gz FOKNHGMUDPUNGJ-QWHCGFSZSA-N 2 0 239.407 1.304 20 0 BDADRP C[C@@H](C[NH+]1CCC(C)CC1)NC1CC[NH2+]CC1 ZINC000665272879 412213716 /nfs/dbraw/zinc/21/37/16/412213716.db2.gz MWNLAZFETUWLKA-ZDUSSCGKSA-N 2 0 239.407 1.448 20 0 BDADRP CC[C@H]([NH2+]C)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000662416102 412158062 /nfs/dbraw/zinc/15/80/62/412158062.db2.gz SXOMRVHQZDRHSQ-LBPRGKRZSA-N 2 0 247.342 1.269 20 0 BDADRP CC(C)([NH3+])CNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662424459 412163964 /nfs/dbraw/zinc/16/39/64/412163964.db2.gz TZNBYMUHVFYCQC-GFCCVEGCSA-N 2 0 247.342 1.075 20 0 BDADRP COC1CC(CC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000665229948 412167310 /nfs/dbraw/zinc/16/73/10/412167310.db2.gz GUNIXHBYHXBVEY-HHTDUIENSA-N 2 0 240.391 1.909 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCc1noc2ccccc21 ZINC000665232145 412170837 /nfs/dbraw/zinc/17/08/37/412170837.db2.gz HBUYQIIPSOHHMB-YPMHNXCESA-N 2 0 245.326 1.840 20 0 BDADRP C[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])c1ccccn1 ZINC000665232950 412172190 /nfs/dbraw/zinc/17/21/90/412172190.db2.gz YHDOLIWAEJBFTI-BZPMIXESSA-N 2 0 233.359 1.902 20 0 BDADRP CC[C@H](O)CC[NH2+][C@@H](C)CCCC[NH3+] ZINC000336695553 171561475 /nfs/dbraw/zinc/56/14/75/171561475.db2.gz SQKDRCTXASOICP-QWRGUYRKSA-N 2 0 202.342 1.255 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000665274246 412216710 /nfs/dbraw/zinc/21/67/10/412216710.db2.gz MGQZTSFFPDPSFV-MELADBBJSA-N 2 0 239.407 1.448 20 0 BDADRP CC[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)[C@H]1CCOC1 ZINC000665278240 412221533 /nfs/dbraw/zinc/22/15/33/412221533.db2.gz YZIXEHDRGRWSAC-CMOBGSAGSA-N 2 0 224.348 1.143 20 0 BDADRP CC[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)[C@@H]1CCOC1 ZINC000665278242 412221885 /nfs/dbraw/zinc/22/18/85/412221885.db2.gz YZIXEHDRGRWSAC-QZQSVVMZSA-N 2 0 224.348 1.143 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000665282406 412227795 /nfs/dbraw/zinc/22/77/95/412227795.db2.gz XPEONEGTZDPBAC-DDHJBXDOSA-N 2 0 214.353 1.515 20 0 BDADRP C[NH2+]C[C@H](C)N[C@@H](C)c1ccc(C[NH3+])nc1C ZINC000665299508 412248695 /nfs/dbraw/zinc/24/86/95/412248695.db2.gz OKJTXLNRHCPACW-UWVGGRQHSA-N 2 0 236.363 1.107 20 0 BDADRP C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000662953283 412353748 /nfs/dbraw/zinc/35/37/48/412353748.db2.gz LWIOEDXDYCHGEC-QJPTWQEYSA-N 2 0 241.379 1.008 20 0 BDADRP C[NH2+]C[C@H](C)NC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000662954273 412353777 /nfs/dbraw/zinc/35/37/77/412353777.db2.gz UHJNHNDLHHMZOR-DMDPSCGWSA-N 2 0 249.358 1.047 20 0 BDADRP C[NH2+]C[C@@H](C)NC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000662966830 412358990 /nfs/dbraw/zinc/35/89/90/412358990.db2.gz CMQCTWVRVYPOOQ-NXEZZACHSA-N 2 0 235.331 1.044 20 0 BDADRP [NH3+]Cc1ccc(-c2noc([C@H]3C[C@H]([NH3+])C3)n2)cc1 ZINC000663252038 412401129 /nfs/dbraw/zinc/40/11/29/412401129.db2.gz XBONYQZPUWSPPW-XYPYZODXSA-N 2 0 244.298 1.400 20 0 BDADRP CCc1nocc1CN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000339286271 172101826 /nfs/dbraw/zinc/10/18/26/172101826.db2.gz XQPQSBOPFBIVOK-CMPLNLGQSA-N 2 0 237.347 1.809 20 0 BDADRP CCn1cc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)cn1 ZINC000111612347 172161741 /nfs/dbraw/zinc/16/17/41/172161741.db2.gz UELLOLBFUHDLTO-LLVKDONJSA-N 2 0 236.363 1.462 20 0 BDADRP CCn1cc(CN2CC[C@](C)(C[NH3+])C2)cn1 ZINC000234207241 172165030 /nfs/dbraw/zinc/16/50/30/172165030.db2.gz CNXUFTMXRTZCAP-GFCCVEGCSA-N 2 0 222.336 1.074 20 0 BDADRP CN(C(=O)C[C@H]([NH3+])c1ccccc1)C1CC([NH3+])C1 ZINC000294966065 172313807 /nfs/dbraw/zinc/31/38/07/172313807.db2.gz XAXZWAPDJQQOPU-BPCQOVAHSA-N 2 0 247.342 1.025 20 0 BDADRP C[NH+]1CCC2(CCC[N@H+](Cc3ccon3)C2)CC1 ZINC000374074953 173002838 /nfs/dbraw/zinc/00/28/38/173002838.db2.gz ORLQWNQOWSZYGI-UHFFFAOYSA-N 2 0 249.358 1.982 20 0 BDADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCOC3)CC[C@@H]21 ZINC000336712393 173036101 /nfs/dbraw/zinc/03/61/01/173036101.db2.gz RWSBANOOBFVENB-MJBXVCDLSA-N 2 0 238.375 1.439 20 0 BDADRP CN1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C1 ZINC000054243463 173042094 /nfs/dbraw/zinc/04/20/94/173042094.db2.gz PEZXABHZEQGMEF-CHWSQXEVSA-N 2 0 225.380 1.012 20 0 BDADRP CN1CCC[C@H]([NH2+]CC2CCOCC2)C1 ZINC000052178619 173046020 /nfs/dbraw/zinc/04/60/20/173046020.db2.gz ZHGLJQJJOFNMAD-LBPRGKRZSA-N 2 0 212.337 1.097 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+](CCCCO)C1CC1 ZINC000305717269 173049569 /nfs/dbraw/zinc/04/95/69/173049569.db2.gz HZWQTOQGDCFKND-ZDUSSCGKSA-N 2 0 240.391 1.708 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH+]1C)[C@@H](CO)C(C)(C)C ZINC000305704666 173050615 /nfs/dbraw/zinc/05/06/15/173050615.db2.gz XQIIPCANZNQTKP-STQMWFEESA-N 2 0 242.407 1.810 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](CO)C1 ZINC000305635257 173051410 /nfs/dbraw/zinc/05/14/10/173051410.db2.gz GVXPOWVMAYHYKU-OLZOCXBDSA-N 2 0 226.364 1.175 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH2+]C1(CO)CCCC1 ZINC000309599331 173053736 /nfs/dbraw/zinc/05/37/36/173053736.db2.gz XFCSXOLUHVDJKP-LBPRGKRZSA-N 2 0 226.364 1.365 20 0 BDADRP C[N@@H+]1CCC[C@H]2C[NH+](CCC(C)(C)O)CC[C@H]21 ZINC000227342838 173059877 /nfs/dbraw/zinc/05/98/77/173059877.db2.gz MIVWTGCJAXXQQG-QWHCGFSZSA-N 2 0 240.391 1.564 20 0 BDADRP C[N@@H+]1CCN(CC(C)(C)[NH3+])[C@@H](c2ccccc2)C1 ZINC000040925755 173079481 /nfs/dbraw/zinc/07/94/81/173079481.db2.gz YAWRDKUULPJXES-CQSZACIVSA-N 2 0 247.386 1.712 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCn2cnnc2C2CC2)C1 ZINC000568249463 322930617 /nfs/dbraw/zinc/93/06/17/322930617.db2.gz QYKLETMECXIOCC-NWDGAFQWSA-N 2 0 249.362 1.015 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CCN2CCC2)[C@H]2CCC[C@@H]21 ZINC000353640282 173152212 /nfs/dbraw/zinc/15/22/12/173152212.db2.gz BYDQQCAFTLHADS-RDBSUJKOSA-N 2 0 237.391 1.155 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CC2CC2)[C@@H]2CCC[C@H]21 ZINC000367639971 173152926 /nfs/dbraw/zinc/15/29/26/173152926.db2.gz YFPQLUIAEHNQTI-RWMBFGLXSA-N 2 0 208.349 1.859 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCOC2)[C@H]2CCC[C@@H]21 ZINC000367884929 173155346 /nfs/dbraw/zinc/15/53/46/173155346.db2.gz IXZCQJASWFEMET-CRWXNKLISA-N 2 0 238.375 1.628 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+](C[C@H](O)C(C)(C)C)C2)C1 ZINC000335569837 173166324 /nfs/dbraw/zinc/16/63/24/173166324.db2.gz IOHFXJDGNWSXFE-JSGCOSHPSA-N 2 0 240.391 1.421 20 0 BDADRP CNC(=O)C(C)(C)C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000331978373 173220254 /nfs/dbraw/zinc/22/02/54/173220254.db2.gz MDSYIZVRTQUHON-MNOVXSKESA-N 2 0 241.379 1.008 20 0 BDADRP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC[NH+]1CCCC1 ZINC000054628584 173324509 /nfs/dbraw/zinc/32/45/09/173324509.db2.gz HUTPSUPIWNJUTN-AGUYFDCRSA-N 2 0 237.391 1.297 20 0 BDADRP C[NH2+]CCC(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000262431992 173339499 /nfs/dbraw/zinc/33/94/99/173339499.db2.gz TWXLUTRUYPGGNS-UHFFFAOYSA-N 2 0 249.358 1.191 20 0 BDADRP C[NH2+]CCC(=O)Nc1ccc(C)cc1C[NH+](C)C ZINC000285834736 173342232 /nfs/dbraw/zinc/34/22/32/173342232.db2.gz VOEQXWHLMLJFTA-UHFFFAOYSA-N 2 0 249.358 1.605 20 0 BDADRP C[NH2+]CCCC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000295313654 173345020 /nfs/dbraw/zinc/34/50/20/173345020.db2.gz YPHQLHVUCFVHER-UHFFFAOYSA-N 2 0 247.342 1.270 20 0 BDADRP C[NH2+]C[C@@H](C)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000295257322 173363598 /nfs/dbraw/zinc/36/35/98/173363598.db2.gz UURVLRFLMVTMED-SNVBAGLBSA-N 2 0 247.342 1.126 20 0 BDADRP COCC(C)(C)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000125340817 174082532 /nfs/dbraw/zinc/08/25/32/174082532.db2.gz DBXILWWWLNXTKZ-SNVBAGLBSA-N 2 0 200.326 1.001 20 0 BDADRP COCC1(C[NH2+][C@@H](C)CCCC[NH3+])CCC1 ZINC000336677747 174103147 /nfs/dbraw/zinc/10/31/47/174103147.db2.gz QIILNWWVEYLZOT-LBPRGKRZSA-N 2 0 228.380 1.910 20 0 BDADRP COCC1(C[NH2+]C[C@@H]2C[C@H]2C)CC[NH2+]CC1 ZINC000234712521 174104012 /nfs/dbraw/zinc/10/40/12/174104012.db2.gz HOSPFNJABALIJQ-NEPJUHHUSA-N 2 0 226.364 1.248 20 0 BDADRP COCC1(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)CCC1 ZINC000336724594 174105245 /nfs/dbraw/zinc/10/52/45/174105245.db2.gz UQMYYHYCEIGENW-QWHCGFSZSA-N 2 0 240.391 1.733 20 0 BDADRP COCC1([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000356363524 174111460 /nfs/dbraw/zinc/11/14/60/174111460.db2.gz QXVNFGQFXADHDQ-OLZOCXBDSA-N 2 0 238.375 1.772 20 0 BDADRP COCC1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000069631745 174118452 /nfs/dbraw/zinc/11/84/52/174118452.db2.gz TYUGLHBFSGBNDV-UHFFFAOYSA-N 2 0 226.364 1.344 20 0 BDADRP COCCC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000355033979 174143896 /nfs/dbraw/zinc/14/38/96/174143896.db2.gz FRWLXDUEGKHVHW-CHWSQXEVSA-N 2 0 242.407 1.979 20 0 BDADRP COCCC1(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000234889733 174155885 /nfs/dbraw/zinc/15/58/85/174155885.db2.gz PQXAZYAFSFPBTG-NWDGAFQWSA-N 2 0 226.364 1.520 20 0 BDADRP COCCCCC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360567044 174177720 /nfs/dbraw/zinc/17/77/20/174177720.db2.gz CFOIPCVBCHVDLM-CYBMUJFWSA-N 2 0 226.364 1.489 20 0 BDADRP COCCCC[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000117878912 174189300 /nfs/dbraw/zinc/18/93/00/174189300.db2.gz RECWCAHYMYXAQM-UHFFFAOYSA-N 2 0 228.380 1.875 20 0 BDADRP COCCCC[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000044659200 174195083 /nfs/dbraw/zinc/19/50/83/174195083.db2.gz VICKWRAWTYSDCB-MNOVXSKESA-N 2 0 200.326 1.082 20 0 BDADRP COCCC[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000082666895 174220190 /nfs/dbraw/zinc/22/01/90/174220190.db2.gz CXRMSEUIIWKVGU-NSHDSACASA-N 2 0 200.326 1.097 20 0 BDADRP COCCCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000363560189 174233952 /nfs/dbraw/zinc/23/39/52/174233952.db2.gz LSNQCIKTIXWOQA-KGLIPLIRSA-N 2 0 240.391 1.970 20 0 BDADRP COCC[N@H+](C[C@]1(C)CC[NH2+]C1)C1CC1 ZINC000062911786 174297111 /nfs/dbraw/zinc/29/71/11/174297111.db2.gz CWWHFTPMGSUPLU-GFCCVEGCSA-N 2 0 212.337 1.097 20 0 BDADRP COC[C@H]([NH2+]CCCC[NH+](C)C)C1CC1 ZINC000087479974 174580063 /nfs/dbraw/zinc/58/00/63/174580063.db2.gz GQGDWXZVVHQWTQ-LBPRGKRZSA-N 2 0 214.353 1.343 20 0 BDADRP COc1ccc(CC[N@H+](C)C2CC[NH2+]CC2)cc1 ZINC000036300492 175089543 /nfs/dbraw/zinc/08/95/43/175089543.db2.gz SCHHPTXYIQLCDN-UHFFFAOYSA-N 2 0 248.370 1.922 20 0 BDADRP COc1ccc(CC[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000107787457 175092004 /nfs/dbraw/zinc/09/20/04/175092004.db2.gz RYXUSNOHUPXYDD-CQSZACIVSA-N 2 0 248.370 1.827 20 0 BDADRP COc1ccccc1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000126888773 175328180 /nfs/dbraw/zinc/32/81/80/175328180.db2.gz GEJBXUYNUIHZTO-NEPJUHHUSA-N 2 0 234.343 1.864 20 0 BDADRP COc1ccccc1C[C@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000038041531 175333116 /nfs/dbraw/zinc/33/31/16/175333116.db2.gz OCHUJNTXFZBNBV-LBPRGKRZSA-N 2 0 248.370 1.968 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CCc1ccco1 ZINC000336682519 175663780 /nfs/dbraw/zinc/66/37/80/175663780.db2.gz JKQDBDRJXGKBSN-NSHDSACASA-N 2 0 210.321 1.929 20 0 BDADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCN1CC[NH2+]CC1 ZINC000037482555 176115831 /nfs/dbraw/zinc/11/58/31/176115831.db2.gz VNNOEILARNRWPI-CHWSQXEVSA-N 2 0 225.380 1.155 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)C[C@@H]1C ZINC000132015338 176173328 /nfs/dbraw/zinc/17/33/28/176173328.db2.gz LIIJGHWEHZTNSE-FRRDWIJNSA-N 2 0 210.365 1.964 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CCSCC1 ZINC000335160051 176185348 /nfs/dbraw/zinc/18/53/48/176185348.db2.gz ZFHFNWOBLVXPBY-PWSUYJOCSA-N 2 0 228.405 1.860 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(C(F)F)CC1 ZINC000309750365 176268196 /nfs/dbraw/zinc/26/81/96/176268196.db2.gz GODXGLXDGAZTDP-ZJUUUORDSA-N 2 0 232.318 1.962 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H]1CC1(C)C ZINC000336773082 176270908 /nfs/dbraw/zinc/27/09/08/176270908.db2.gz YQJYYXSRQUDIQT-IJLUTSLNSA-N 2 0 210.365 1.962 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCn1ccnc1 ZINC000041119543 176278947 /nfs/dbraw/zinc/27/89/47/176278947.db2.gz QNZZIYSCIVTMEZ-JHJVBQTASA-N 2 0 236.363 1.201 20 0 BDADRP C[C@@H]1C[N@H+](CCC[NH2+]CC2CC2)CCCO1 ZINC000309752009 176289314 /nfs/dbraw/zinc/28/93/14/176289314.db2.gz GYVIFZHLWILBOM-GFCCVEGCSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H]1C[NH+](CC[C@@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000051918900 176293734 /nfs/dbraw/zinc/29/37/34/176293734.db2.gz PRXNNBAHHAVDAE-UPJWGTAASA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000251694899 176294498 /nfs/dbraw/zinc/29/44/98/176294498.db2.gz IMXDXAUKJSDLQD-UTUOFQBUSA-N 2 0 212.337 1.225 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)[C@H](C)CO1 ZINC000051919010 176294819 /nfs/dbraw/zinc/29/48/19/176294819.db2.gz IJCXMGYUXOSRLV-UPJWGTAASA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)CCS1 ZINC000252681937 176300216 /nfs/dbraw/zinc/30/02/16/176300216.db2.gz BGWUVXGADHHMKI-MNOVXSKESA-N 2 0 214.378 1.423 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccccc1 ZINC000073655447 176327644 /nfs/dbraw/zinc/32/76/44/176327644.db2.gz CLPZCFXGDJOALG-DGCLKSJQSA-N 2 0 204.317 1.774 20 0 BDADRP C[C@@H]1COCC[C@H]1[NH2+][C@H]1CCn2ccnc2C1 ZINC000354621287 176345078 /nfs/dbraw/zinc/34/50/78/176345078.db2.gz AYGMEIJJDFPRII-GRYCIOLGSA-N 2 0 235.331 1.213 20 0 BDADRP C[C@@H]1CSC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000304581784 176353345 /nfs/dbraw/zinc/35/33/45/176353345.db2.gz YLYIQEXMIBTMBT-MDZLAQPJSA-N 2 0 240.416 1.812 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCOC(C)(C)C2)CC[NH2+]1 ZINC000235381677 176369450 /nfs/dbraw/zinc/36/94/50/176369450.db2.gz QPXMERORNCXHHA-NEPJUHHUSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H](NC(=O)[C@@H](C)[C@H](C)[NH3+])C(C)(C)C[NH+](C)C ZINC000249070613 176769433 /nfs/dbraw/zinc/76/94/33/176769433.db2.gz QHUIRUMRYLTFGP-GARJFASQSA-N 2 0 243.395 1.062 20 0 BDADRP Cc1nc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)co1 ZINC000310345189 487636798 /nfs/dbraw/zinc/63/67/98/487636798.db2.gz PBOSKHDJLDLKSR-NSHDSACASA-N 2 0 223.320 1.544 20 0 BDADRP C[C@H](CO)C[N@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000678043910 487637072 /nfs/dbraw/zinc/63/70/72/487637072.db2.gz JDEMJAHIDCQLAO-QJPTWQEYSA-N 2 0 214.353 1.029 20 0 BDADRP C[C@H]1C[N@H+](CCOc2ccccc2)CC[C@@H]1[NH3+] ZINC000042896770 177252915 /nfs/dbraw/zinc/25/29/15/177252915.db2.gz SYFLEGHKHAFYIJ-JSGCOSHPSA-N 2 0 234.343 1.735 20 0 BDADRP C[C@H]1C[C@@H](C[N@@H+]2CCOC(C)(C)C2)CC[NH2+]1 ZINC000235699308 177324368 /nfs/dbraw/zinc/32/43/68/177324368.db2.gz QPXMERORNCXHHA-RYUDHWBXSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccc2c[nH]nc21 ZINC000334143248 177324624 /nfs/dbraw/zinc/32/46/24/177324624.db2.gz RAPFSMSVVRMCSR-QWRGUYRKSA-N 2 0 244.342 1.732 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCC(C)(C)[NH+](C)C ZINC000036908114 177330923 /nfs/dbraw/zinc/33/09/23/177330923.db2.gz DZOSUHWCFLDIIK-FRRDWIJNSA-N 2 0 241.423 1.645 20 0 BDADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccsc1 ZINC000126717276 177361119 /nfs/dbraw/zinc/36/11/19/177361119.db2.gz GYPUCNSCKUJHPE-GXSJLCMTSA-N 2 0 210.346 1.917 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3nccn3C2)C[C@H](C)O1 ZINC000369846497 177371349 /nfs/dbraw/zinc/37/13/49/177371349.db2.gz NJEDSKGMVDIPJK-RNJOBUHISA-N 2 0 249.358 1.744 20 0 BDADRP C[C@H]([NH2+]CC(C)(C)CCO)[C@@H]1CCC[NH2+]1 ZINC000400356557 225064033 /nfs/dbraw/zinc/06/40/33/225064033.db2.gz BKZWQADYMZGMRB-QWRGUYRKSA-N 2 0 214.353 1.125 20 0 BDADRP C[C@H]([NH2+]CCCC[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000400360840 226341722 /nfs/dbraw/zinc/34/17/22/226341722.db2.gz DARINEFCCJOTEL-RYUDHWBXSA-N 3 0 213.369 1.058 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400770003 226351739 /nfs/dbraw/zinc/35/17/39/226351739.db2.gz ZZHMEQGNZCZOEZ-IJLUTSLNSA-N 2 0 214.353 1.125 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401005584 226352723 /nfs/dbraw/zinc/35/27/23/226352723.db2.gz DFXRUEDIUMDRAI-ZOBORPQBSA-N 2 0 248.374 1.249 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCC[C@@H]1CCOC1 ZINC000401918394 226363022 /nfs/dbraw/zinc/36/30/22/226363022.db2.gz CFDDFMMIXBRNHD-AGIUHOORSA-N 2 0 226.364 1.520 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)[C@H]2CC[NH2+][C@@H]2C)cc1 ZINC000557190452 322935102 /nfs/dbraw/zinc/93/51/02/322935102.db2.gz OXMFZUOQOTTXLG-MFKMUULPSA-N 2 0 247.342 1.343 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCCc1cncn1C ZINC000314899753 487669759 /nfs/dbraw/zinc/66/97/59/487669759.db2.gz NFIBPAIYIDAVCX-NEPJUHHUSA-N 2 0 236.363 1.164 20 0 BDADRP Cc1cccc(NCC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000568900760 322941731 /nfs/dbraw/zinc/94/17/31/322941731.db2.gz DYBRRDSGQUVKNU-QWHCGFSZSA-N 2 0 248.374 1.661 20 0 BDADRP C[C@@H](C[NH2+]CCN1CC[NH2+]CC1)C(C)(C)C ZINC000163005643 487677849 /nfs/dbraw/zinc/67/78/49/487677849.db2.gz BIQRRPVTOSCFCE-LBPRGKRZSA-N 2 0 227.396 1.163 20 0 BDADRP Cc1cc(C)c(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cn1 ZINC000396973366 262829401 /nfs/dbraw/zinc/82/94/01/262829401.db2.gz IFPUXHSPNCWFIP-GXTWGEPZSA-N 2 0 233.359 1.915 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CS[C@H](C)C1 ZINC000397801460 262934622 /nfs/dbraw/zinc/93/46/22/262934622.db2.gz LQEQZEVYBFKLIK-OUAUKWLOSA-N 2 0 232.393 1.224 20 0 BDADRP C[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653142003 487701967 /nfs/dbraw/zinc/70/19/67/487701967.db2.gz XSIYNZDWYYAVBK-VXGBXAGGSA-N 2 0 241.379 1.010 20 0 BDADRP COC(=O)[C@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])C1 ZINC001172614887 974886730 /nfs/dbraw/zinc/88/67/30/974886730.db2.gz ZMWHDIGSBUNAKU-FIQHERPVSA-N 2 0 240.347 1.188 20 0 BDADRP Cc1cncc(C[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000228783574 487724470 /nfs/dbraw/zinc/72/44/70/487724470.db2.gz IOJDICGHYJSJKG-LLVKDONJSA-N 2 0 205.305 1.171 20 0 BDADRP COCC[C@H](C)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000666193981 487754450 /nfs/dbraw/zinc/75/44/50/487754450.db2.gz UEENTSSQYAYZBS-STQMWFEESA-N 2 0 242.407 1.979 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H](C)c2ccncc2)C1 ZINC000226538003 487754922 /nfs/dbraw/zinc/75/49/22/487754922.db2.gz SKNMXKYBBQULEA-GVXVVHGQSA-N 2 0 219.332 1.812 20 0 BDADRP CC[C@H]1C[N@H+](CCCOC)CC[C@H]1[NH3+] ZINC000251522777 487764465 /nfs/dbraw/zinc/76/44/65/487764465.db2.gz AAOVAPLQARYOGN-WDEREUQCSA-N 2 0 200.326 1.082 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CC2(CO)CC2)[C@H]2CCC[C@@H]21 ZINC000671749740 487765952 /nfs/dbraw/zinc/76/59/52/487765952.db2.gz NCSOZURWYMQWPA-AGIUHOORSA-N 2 0 238.375 1.221 20 0 BDADRP CO[C@@H](C)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000223868558 487798326 /nfs/dbraw/zinc/79/83/26/487798326.db2.gz PILAFLIPZYKKBG-HBNTYKKESA-N 2 0 200.326 1.128 20 0 BDADRP CC[NH+](CC)CCC[N@H+](CC(C)(C)O)C1CC1 ZINC000191840699 487800079 /nfs/dbraw/zinc/80/00/79/487800079.db2.gz SUOBDYLEVXZBNQ-UHFFFAOYSA-N 2 0 242.407 1.954 20 0 BDADRP CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)CC1CC1 ZINC000309238385 487801185 /nfs/dbraw/zinc/80/11/85/487801185.db2.gz KAAUKSSVCYQVQM-CYBMUJFWSA-N 2 0 228.380 1.419 20 0 BDADRP CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)CCC[NH3+] ZINC000414702204 487818529 /nfs/dbraw/zinc/81/85/29/487818529.db2.gz HTRCEOKNODABCM-RYUDHWBXSA-N 2 0 228.380 1.861 20 0 BDADRP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2CCC[NH3+])C1 ZINC000414757893 487821474 /nfs/dbraw/zinc/82/14/74/487821474.db2.gz UEVGWICEVMTCLN-RFGFWPKPSA-N 2 0 240.391 1.597 20 0 BDADRP C[C@@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1CCC[NH3+] ZINC000414757567 487822318 /nfs/dbraw/zinc/82/23/18/487822318.db2.gz LJELVOXNQUQKOQ-BDAKNGLRSA-N 2 0 224.270 1.998 20 0 BDADRP CC[N@@H+]1CC[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000414921791 487829111 /nfs/dbraw/zinc/82/91/11/487829111.db2.gz FWNHTLUWVGMRSN-DGAVXFQQSA-N 3 0 239.407 1.576 20 0 BDADRP Cc1ccc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000414992253 487833804 /nfs/dbraw/zinc/83/38/04/487833804.db2.gz BOGPFZQYJZQRPG-JSGCOSHPSA-N 2 0 233.359 1.997 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CCCS1 ZINC000873243813 590006179 /nfs/dbraw/zinc/00/61/79/590006179.db2.gz NHSGCJDXTHDLHW-AXFHLTTASA-N 2 0 214.378 1.742 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)NC[C@@H]1CCCC[NH2+]1 ZINC000666770886 487877025 /nfs/dbraw/zinc/87/70/25/487877025.db2.gz XTFMGFXZIYAVNP-UPJWGTAASA-N 2 0 225.380 1.249 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+]C[C@@H]2CCCCN2)CC[NH2+]1 ZINC000666770575 487877395 /nfs/dbraw/zinc/87/73/95/487877395.db2.gz KBLNUDZWHQTQFK-UPJWGTAASA-N 2 0 225.380 1.106 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]C[C@H]1CCOc2ccccc21 ZINC000666826291 487887054 /nfs/dbraw/zinc/88/70/54/487887054.db2.gz UEQZNVLCUXMYKR-NWDGAFQWSA-N 2 0 234.343 1.737 20 0 BDADRP C[C@@H](CC[NH3+])[NH2+]Cc1cnc2ccccn12 ZINC000666831915 487887732 /nfs/dbraw/zinc/88/77/32/487887732.db2.gz IHVVDMOSLFDTSA-JTQLQIEISA-N 2 0 218.304 1.161 20 0 BDADRP [NH3+][C@H](C[NH2+]C[C@@H]1CCOc2ccccc21)C1CC1 ZINC000666834208 487888247 /nfs/dbraw/zinc/88/82/47/487888247.db2.gz CBKJBQOCVAKMFF-GXTWGEPZSA-N 2 0 246.354 1.880 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)C1CCC1 ZINC000666955457 487892774 /nfs/dbraw/zinc/89/27/74/487892774.db2.gz LXCCLHFODZLDBN-CMPLNLGQSA-N 2 0 208.349 1.907 20 0 BDADRP CCCC[C@@H](COC)[NH2+]C[C@@H]1C[C@H](F)CN1 ZINC000666948209 487900473 /nfs/dbraw/zinc/90/04/73/487900473.db2.gz VZFHZTVHLDCISK-SRVKXCTJSA-N 2 0 232.343 1.481 20 0 BDADRP CC[N@@H+]1CC[C@@H](NC[C@@H]2C[C@H](F)C[NH2+]2)[C@H](C)C1 ZINC000666947806 487912238 /nfs/dbraw/zinc/91/22/38/487912238.db2.gz IRJSNLRGAOPMBI-MROQNXINSA-N 2 0 243.370 1.006 20 0 BDADRP C1[C@@H]([NH2+][C@H]2CCCSC2)C12CC[NH2+]CC2 ZINC000666953510 487915166 /nfs/dbraw/zinc/91/51/66/487915166.db2.gz ADWQRRFONQKXND-WDEREUQCSA-N 2 0 226.389 1.614 20 0 BDADRP CC(C)(C)[NH2+]CCN[C@@H]1CC12CC[NH2+]CC2 ZINC000666955423 487916854 /nfs/dbraw/zinc/91/68/54/487916854.db2.gz JGNIIVPPHUOWOZ-LLVKDONJSA-N 2 0 225.380 1.106 20 0 BDADRP CC[C@H](COC)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995320 487924654 /nfs/dbraw/zinc/92/46/54/487924654.db2.gz KBFDSPZHHDZQSL-VXGBXAGGSA-N 2 0 226.364 1.676 20 0 BDADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCCF)C1 ZINC000652363591 487932528 /nfs/dbraw/zinc/93/25/28/487932528.db2.gz IXSXHBLSFDOIML-JHJVBQTASA-N 2 0 244.354 1.707 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CCCOC)C1 ZINC000247251019 323012534 /nfs/dbraw/zinc/01/25/34/323012534.db2.gz ZSHZKVCJLAFNML-OLZOCXBDSA-N 2 0 228.380 1.733 20 0 BDADRP CCC(O)(CC)CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000565224941 323034447 /nfs/dbraw/zinc/03/44/47/323034447.db2.gz ATVVGTFGULODFO-NWDGAFQWSA-N 2 0 228.380 1.787 20 0 BDADRP CC[C@H](O)C[NH2+]C[C@H]1CC[N@H+](CC(C)C)C1 ZINC000569837692 323042111 /nfs/dbraw/zinc/04/21/11/323042111.db2.gz UFEXGGTVMBMSQI-OLZOCXBDSA-N 2 0 228.380 1.325 20 0 BDADRP CCCC[N@H+](C)C[C@@H](C)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000569988858 323046635 /nfs/dbraw/zinc/04/66/35/323046635.db2.gz XEQAKTCJDFIHGE-MCIONIFRSA-N 2 0 241.423 1.966 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+]CC[C@@H]2CCOC2)cc1 ZINC000570801295 323070786 /nfs/dbraw/zinc/07/07/86/323070786.db2.gz ISKMUCFQCLMYSC-CQSZACIVSA-N 2 0 234.343 1.662 20 0 BDADRP CCOCCC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000221675957 323090964 /nfs/dbraw/zinc/09/09/64/323090964.db2.gz VWVQUVDJXWYFRJ-RYUDHWBXSA-N 2 0 214.353 1.485 20 0 BDADRP C[C@H]([NH3+])c1ccc(CNC(=O)CCC[NH3+])cc1 ZINC000563101689 323092451 /nfs/dbraw/zinc/09/24/51/323092451.db2.gz GJMJATDWVZPEKC-JTQLQIEISA-N 2 0 235.331 1.061 20 0 BDADRP C[C@@H](CCCC[NH3+])NC(=O)CC1CC[NH2+]CC1 ZINC000567849324 323092564 /nfs/dbraw/zinc/09/25/64/323092564.db2.gz TZJNGDSIXQPKSA-NSHDSACASA-N 2 0 241.379 1.010 20 0 BDADRP C[C@H](CCCC[NH3+])NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000563116625 323093348 /nfs/dbraw/zinc/09/33/48/323093348.db2.gz LHSRLNFBRIVGPZ-VXGBXAGGSA-N 2 0 241.379 1.010 20 0 BDADRP Cc1n[nH]cc1C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000563135608 323094456 /nfs/dbraw/zinc/09/44/56/323094456.db2.gz RPIUAJATZIYJSY-UHFFFAOYSA-N 2 0 230.315 1.467 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC[C@@H]1CCOC1 ZINC000563135047 323094674 /nfs/dbraw/zinc/09/46/74/323094674.db2.gz DECLVUKOMZXHLD-GARJFASQSA-N 2 0 200.326 1.128 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000567896414 323097977 /nfs/dbraw/zinc/09/79/77/323097977.db2.gz JVQOICJXHKWJBL-RWMBFGLXSA-N 3 0 225.380 1.045 20 0 BDADRP COC[C@@H](C)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000163539037 323103551 /nfs/dbraw/zinc/10/35/51/323103551.db2.gz AFODEZAYXPQUHN-WDEREUQCSA-N 2 0 214.353 1.328 20 0 BDADRP C[C@@H](CC[NH3+])[NH2+]Cc1cnc(C2CC2)s1 ZINC000563415423 323123472 /nfs/dbraw/zinc/12/34/72/323123472.db2.gz XOTUJVORJZDTQC-QMMMGPOBSA-N 2 0 225.361 1.847 20 0 BDADRP CC[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)[NH+]1CCCC1 ZINC000563423109 323124349 /nfs/dbraw/zinc/12/43/49/323124349.db2.gz DCLKLLXTQCHUDQ-MELADBBJSA-N 2 0 239.407 1.720 20 0 BDADRP CC[C@@H]([NH2+]CCc1cncn1C)[C@H]1CCOC1 ZINC000401833902 323127732 /nfs/dbraw/zinc/12/77/32/323127732.db2.gz HGSSUDWLJKXRTK-WCQYABFASA-N 2 0 237.347 1.367 20 0 BDADRP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)C[N@H+](C)CC ZINC000310541203 323133007 /nfs/dbraw/zinc/13/30/07/323133007.db2.gz QYHQBOUQQSGBAS-HZSPNIEDSA-N 2 0 242.407 1.857 20 0 BDADRP CC[C@](C)(O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000249367933 323139014 /nfs/dbraw/zinc/13/90/14/323139014.db2.gz MUACZSFLIAYLIY-KGLIPLIRSA-N 2 0 242.407 1.954 20 0 BDADRP CC[N@@H+]1CC[C@@H](NCCC[NH2+]C(C)C)[C@H](C)C1 ZINC000571431254 323144707 /nfs/dbraw/zinc/14/47/07/323144707.db2.gz NEVUDSIWIMZHNX-ZIAGYGMSSA-N 2 0 241.423 1.694 20 0 BDADRP COCCC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000259377636 323146657 /nfs/dbraw/zinc/14/66/57/323146657.db2.gz VWDWOECSOYXCBK-CYBMUJFWSA-N 2 0 226.364 1.344 20 0 BDADRP CC(C)[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000305150708 323167779 /nfs/dbraw/zinc/16/77/79/323167779.db2.gz TXPSNDRNHHAGIQ-KBPBESRZSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@H](O)[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000305630850 323171201 /nfs/dbraw/zinc/17/12/01/323171201.db2.gz MLCMERUGQGCOQA-MJBXVCDLSA-N 2 0 240.391 1.564 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]C(C1CC1)C1CC1 ZINC000308818072 323178894 /nfs/dbraw/zinc/17/88/94/323178894.db2.gz JABSSSYPGHBWEX-BXKDBHETSA-N 2 0 208.349 1.763 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCC(C)(C)CO ZINC000395120054 323187842 /nfs/dbraw/zinc/18/78/42/323187842.db2.gz GHAXBXIBFPAYCJ-JHJVBQTASA-N 2 0 242.407 1.713 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)C1 ZINC000395158487 323189352 /nfs/dbraw/zinc/18/93/52/323189352.db2.gz MRQMNAQRAACVMK-FDYHWXHSSA-N 2 0 226.364 1.484 20 0 BDADRP C[NH+](C)Cc1cccc(NC(=O)C2(C)C[NH2+]C2)c1 ZINC000399258277 323202285 /nfs/dbraw/zinc/20/22/85/323202285.db2.gz RWWPWVKJOOSEOD-UHFFFAOYSA-N 2 0 247.342 1.296 20 0 BDADRP COc1ccc(CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000530219378 323218065 /nfs/dbraw/zinc/21/80/65/323218065.db2.gz JCFYTUCHFYXBLS-STQMWFEESA-N 2 0 249.358 1.492 20 0 BDADRP [NH3+]C1(c2noc([C@H]3CCCCC[NH2+]3)n2)CCC1 ZINC000563958237 323331633 /nfs/dbraw/zinc/33/16/33/323331633.db2.gz YZKKOIPASRVPBC-SECBINFHSA-N 2 0 236.319 1.612 20 0 BDADRP CN(CC(C)(C)C[NH3+])C(=O)c1ccc(C[NH3+])cc1 ZINC000564086167 323427642 /nfs/dbraw/zinc/42/76/42/323427642.db2.gz ZMFKBIHDMCGVIZ-UHFFFAOYSA-N 2 0 249.358 1.202 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCOCC[NH+](C)C)C[C@H](C)O1 ZINC000571852058 323493596 /nfs/dbraw/zinc/49/35/96/323493596.db2.gz IUSZZZWRXHIJKP-ITGUQSILSA-N 2 0 244.379 1.110 20 0 BDADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)C(C)C ZINC000122791106 324058153 /nfs/dbraw/zinc/05/81/53/324058153.db2.gz YFMGKBDCDZWMOL-OLZOCXBDSA-N 2 0 230.396 1.977 20 0 BDADRP CO[C@H]1C[N@H+](CCCn2ccnc2)CC[C@@H]1C ZINC000189274725 324194538 /nfs/dbraw/zinc/19/45/38/324194538.db2.gz WKVXCOVZAVHAGH-STQMWFEESA-N 2 0 237.347 1.630 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CS[C@H](C)C1 ZINC000398012594 324215851 /nfs/dbraw/zinc/21/58/51/324215851.db2.gz ZBTHFGHEZOGDPV-GMTAPVOTSA-N 2 0 216.394 1.988 20 0 BDADRP CC[C@H](O)CC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000123398148 324364729 /nfs/dbraw/zinc/36/47/29/324364729.db2.gz DNCWOUHRVFXRCO-SDDRHHMPSA-N 2 0 214.353 1.077 20 0 BDADRP c1cc(N2CCC([NH2+]CC3COC3)CC2)cc[nH+]1 ZINC000529675037 324375776 /nfs/dbraw/zinc/37/57/76/324375776.db2.gz OOIGRAJRKZXTEI-UHFFFAOYSA-N 2 0 247.342 1.286 20 0 BDADRP [NH3+]CC1(CNc2ccc3c(c2)OCC[NH2+]C3)CC1 ZINC000530249000 324558771 /nfs/dbraw/zinc/55/87/71/324558771.db2.gz SGHRNJQEJDWFFN-UHFFFAOYSA-N 2 0 247.342 1.319 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)[C@H](C)CO)CC1 ZINC000134184339 325347884 /nfs/dbraw/zinc/34/78/84/325347884.db2.gz BGEJJGXTMNOMDO-NEPJUHHUSA-N 2 0 228.380 1.466 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1CO ZINC000565945112 325976287 /nfs/dbraw/zinc/97/62/87/325976287.db2.gz RZXAZAQNKIVZNA-DOMZBBRYSA-N 2 0 248.370 1.657 20 0 BDADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NC(C)(C)CCC[NH3+] ZINC000566010714 325983989 /nfs/dbraw/zinc/98/39/89/325983989.db2.gz WEHRGDMZNZXGGQ-WDEREUQCSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@H]([NH3+])CCC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000566201118 326011539 /nfs/dbraw/zinc/01/15/39/326011539.db2.gz XIWALSJMXBNXDB-QWRGUYRKSA-N 2 0 249.358 1.450 20 0 BDADRP CCCCNC(=O)CC[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000566411893 326041208 /nfs/dbraw/zinc/04/12/08/326041208.db2.gz MSQJWVGNFLCSCG-NEPJUHHUSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCN(C)c1ccccc1 ZINC000566412584 326041381 /nfs/dbraw/zinc/04/13/81/326041381.db2.gz HZACMSQRLOVWME-ZIAGYGMSSA-N 2 0 247.386 1.934 20 0 BDADRP CCOC[C@H]1CCC[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000567226686 326145905 /nfs/dbraw/zinc/14/59/05/326145905.db2.gz IOZSSWMQNAXDPB-ZIAGYGMSSA-N 2 0 240.391 1.781 20 0 BDADRP Nc1ccc2c(c1)CC[C@@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000567292504 326157037 /nfs/dbraw/zinc/15/70/37/326157037.db2.gz RWDBILQTKMXKOR-HNNXBMFYSA-N 2 0 245.370 1.845 20 0 BDADRP CC[NH2+]CCCN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000567375238 326177716 /nfs/dbraw/zinc/17/77/16/326177716.db2.gz DXFVVZOCKKUBJB-NEPJUHHUSA-N 2 0 213.369 1.106 20 0 BDADRP C[C@@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[NH+](C)C ZINC000156052706 326217711 /nfs/dbraw/zinc/21/77/11/326217711.db2.gz WCDHLTYOIBGRKE-RWMBFGLXSA-N 2 0 225.380 1.153 20 0 BDADRP CC[NH2+]CCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000567579848 326221466 /nfs/dbraw/zinc/22/14/66/326221466.db2.gz MDKYKXWQTYPILZ-UPJWGTAASA-N 2 0 238.375 1.533 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000567589426 326223857 /nfs/dbraw/zinc/22/38/57/326223857.db2.gz QFLMHCVDGDJWGR-YIONKMFJSA-N 3 0 245.370 1.518 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000567925224 326284304 /nfs/dbraw/zinc/28/43/04/326284304.db2.gz GFUPKAUBUADJBY-HBNTYKKESA-N 2 0 241.379 1.007 20 0 BDADRP CSC[C@@H](O)C[NH2+]CCC1CC[NH+](C)CC1 ZINC000568078104 326305326 /nfs/dbraw/zinc/30/53/26/326305326.db2.gz GEWOOOUBQRQXKJ-LBPRGKRZSA-N 2 0 246.420 1.032 20 0 BDADRP O[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC000568243315 326333172 /nfs/dbraw/zinc/33/31/72/326333172.db2.gz UZWFWASSZJKQDG-CQSZACIVSA-N 2 0 238.375 1.221 20 0 BDADRP Cc1cnc(CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000568248443 326334385 /nfs/dbraw/zinc/33/43/85/326334385.db2.gz QQJKUNQMSSJJMN-RYUDHWBXSA-N 2 0 234.347 1.187 20 0 BDADRP [NH3+]Cc1ccc(-c2noc([C@H]3CCC[NH2+]3)n2)cc1 ZINC000568266921 326337388 /nfs/dbraw/zinc/33/73/88/326337388.db2.gz SUPOELVOTMAKIV-LLVKDONJSA-N 2 0 244.298 1.620 20 0 BDADRP C[NH2+]CCCNC(=O)c1ccccc1C[NH+](C)C ZINC000568392643 326353510 /nfs/dbraw/zinc/35/35/10/326353510.db2.gz SJANUOYOFBCOHD-UHFFFAOYSA-N 2 0 249.358 1.088 20 0 BDADRP C[C@@H](NCc1ccc(C[NH3+])cc1)[C@@H]1CCCC[NH2+]1 ZINC000568513280 326361862 /nfs/dbraw/zinc/36/18/62/326361862.db2.gz URMTXJORWKVYIT-DOMZBBRYSA-N 2 0 247.386 1.766 20 0 BDADRP [NH3+]Cc1ccc(N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000568531911 326364037 /nfs/dbraw/zinc/36/40/37/326364037.db2.gz SRGBQRUWORTNMF-YPMHNXCESA-N 2 0 219.332 1.827 20 0 BDADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)[C@H](C)O ZINC000569230353 326396245 /nfs/dbraw/zinc/39/62/45/326396245.db2.gz VRVQGKOUWNKIIV-MJBXVCDLSA-N 2 0 242.407 2.000 20 0 BDADRP Cn1nccc1C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000569242951 326397470 /nfs/dbraw/zinc/39/74/70/326397470.db2.gz DWBPJJJRLKGLKG-UHFFFAOYSA-N 2 0 230.315 1.169 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)C1 ZINC000573020541 326425048 /nfs/dbraw/zinc/42/50/48/326425048.db2.gz OFFZUXIVALZQDV-UPJWGTAASA-N 3 0 225.380 1.236 20 0 BDADRP CC[N@@H+]1CCN(CC[NH+]2CCCCC2)C[C@@H]1C ZINC000677197238 488002928 /nfs/dbraw/zinc/00/29/28/488002928.db2.gz YAUISLOUOPQOLJ-AWEZNQCLSA-N 2 0 239.407 1.498 20 0 BDADRP C(CN1CCCC1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400962543 488011736 /nfs/dbraw/zinc/01/17/36/488011736.db2.gz GKKSASOTRDVWJL-MGPQQGTHSA-N 2 0 237.391 1.060 20 0 BDADRP Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])o1 ZINC000084221507 488038413 /nfs/dbraw/zinc/03/84/13/488038413.db2.gz IHKNJUZNLYPUEQ-PWSUYJOCSA-N 2 0 208.305 1.805 20 0 BDADRP c1ccc(C[NH+]2CCC(NC3C[NH2+]C3)CC2)cc1 ZINC000091395127 488049013 /nfs/dbraw/zinc/04/90/13/488049013.db2.gz ZAGZIPARHWMENN-UHFFFAOYSA-N 2 0 245.370 1.212 20 0 BDADRP Cc1ncc(C[NH+]2CCC([C@H](C)O)CC2)n1C ZINC000667586527 488053589 /nfs/dbraw/zinc/05/35/89/488053589.db2.gz RFNKSLQJXODPRV-JTQLQIEISA-N 2 0 237.347 1.321 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000037210353 488058635 /nfs/dbraw/zinc/05/86/35/488058635.db2.gz ISRZFQZTJRUEOE-DGCLKSJQSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H]1CCC[N@@H+]1Cc1cnc2n1CCC2 ZINC000667618916 488060711 /nfs/dbraw/zinc/06/07/11/488060711.db2.gz NFPJEFRJJQOFOC-JTQLQIEISA-N 2 0 205.305 1.814 20 0 BDADRP Cc1cc(N2CC[N@H+](CCO)C(C)(C)C2)cc[nH+]1 ZINC000682918186 488064051 /nfs/dbraw/zinc/06/40/51/488064051.db2.gz CBRVPMGOXBTTOD-UHFFFAOYSA-N 2 0 249.358 1.283 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000656200815 488066116 /nfs/dbraw/zinc/06/61/16/488066116.db2.gz QZYUDBPYTMPMCE-MQYQWHSLSA-N 3 0 239.407 1.434 20 0 BDADRP Cc1cnc(CC[NH2+][C@H](C)C2C[NH2+]C2)c(C)c1 ZINC000656200687 488067159 /nfs/dbraw/zinc/06/71/59/488067159.db2.gz PTLPLCFSHIOKQJ-GFCCVEGCSA-N 2 0 233.359 1.438 20 0 BDADRP O[C@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000226271830 488083743 /nfs/dbraw/zinc/08/37/43/488083743.db2.gz PTIUQMLIXIWWRY-RNJOBUHISA-N 2 0 224.348 1.116 20 0 BDADRP CO[C@H]1CCC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000230316202 488084211 /nfs/dbraw/zinc/08/42/11/488084211.db2.gz HTZJHBAXRVSPNQ-AWEZNQCLSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@H]([NH3+])c1ccc(C[NH2+]CCC[NH3+])cc1 ZINC000414809147 488084101 /nfs/dbraw/zinc/08/41/01/488084101.db2.gz GFHSIECARFMJBI-JTQLQIEISA-N 3 0 207.321 1.145 20 0 BDADRP C(c1nc([C@H]2CCC[NH2+]2)no1)C1CC[NH2+]CC1 ZINC000257928774 488092087 /nfs/dbraw/zinc/09/20/87/488092087.db2.gz GYWFGSBHEKRJDU-SNVBAGLBSA-N 2 0 236.319 1.036 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000389467084 488097912 /nfs/dbraw/zinc/09/79/12/488097912.db2.gz UBSRJWWTUICBRL-HZSPNIEDSA-N 2 0 239.407 1.578 20 0 BDADRP CCC[N@@H+]1CC[C@H](NC(=O)CCC(C)(C)[NH3+])C1 ZINC000389715083 488108677 /nfs/dbraw/zinc/10/86/77/488108677.db2.gz GFTCVLJAUVTYNZ-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP CC(C)(C(=O)NCCC[NH3+])[C@@H]([NH3+])c1ccccc1 ZINC000417814580 488118146 /nfs/dbraw/zinc/11/81/46/488118146.db2.gz QPHWYXXFGQLZKQ-LBPRGKRZSA-N 2 0 249.358 1.178 20 0 BDADRP C[NH2+]C[C@@H](C)NCc1cccc(OC)c1 ZINC000162096272 487537630 /nfs/dbraw/zinc/53/76/30/487537630.db2.gz NRUQTWPWMYDCHZ-SNVBAGLBSA-N 2 0 208.305 1.393 20 0 BDADRP Cc1nccn1CC[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000667822674 488128956 /nfs/dbraw/zinc/12/89/56/488128956.db2.gz QHHMDALPHQQFHJ-CHWSQXEVSA-N 2 0 235.331 1.349 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCOCc1ccccc1 ZINC000309747378 487540885 /nfs/dbraw/zinc/54/08/85/487540885.db2.gz UWJHTLMVDPEMDA-HIFRSBDPSA-N 2 0 248.370 1.872 20 0 BDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@@H]1CC[C@@H](C)O1 ZINC000227065776 487493048 /nfs/dbraw/zinc/49/30/48/487493048.db2.gz QHFGHUGEYDOZRJ-FRRDWIJNSA-N 2 0 228.380 1.859 20 0 BDADRP C[C@@H]1CC[C@@H](C)[NH+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662257610 487493917 /nfs/dbraw/zinc/49/39/17/487493917.db2.gz DYNTWWBBJDSQHD-UTUOFQBUSA-N 2 0 224.348 1.380 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)C1CCCC1 ZINC000381082915 487495491 /nfs/dbraw/zinc/49/54/91/487495491.db2.gz RXALDGRPKUPATA-AAEUAGOBSA-N 2 0 228.380 1.467 20 0 BDADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)C[C@@H]1CCCCO1 ZINC000227735043 487504567 /nfs/dbraw/zinc/50/45/67/487504567.db2.gz QXNFBJPIFKSNDP-STQMWFEESA-N 2 0 228.380 1.861 20 0 BDADRP FC1(F)C[C@@H]1OCCN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000662266950 487504970 /nfs/dbraw/zinc/50/49/70/487504970.db2.gz QYPDPWQJLGPRME-WDEREUQCSA-N 2 0 246.301 1.096 20 0 BDADRP [NH3+]Cc1cccc(NC(=O)C2CC[NH2+]CC2)c1 ZINC000169815605 487508209 /nfs/dbraw/zinc/50/82/09/487508209.db2.gz UHXISUYYQSFQGM-UHFFFAOYSA-N 2 0 233.315 1.083 20 0 BDADRP [NH3+]Cc1cccc(NC(=O)[C@H]2CCCC[NH2+]2)c1 ZINC000169815786 487508368 /nfs/dbraw/zinc/50/83/68/487508368.db2.gz WLYBAARZFQXJOG-GFCCVEGCSA-N 2 0 233.315 1.226 20 0 BDADRP Cc1nocc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000662267796 487509046 /nfs/dbraw/zinc/50/90/46/487509046.db2.gz YTQJAHXYBKQJPR-DRZSPHRISA-N 2 0 235.331 1.542 20 0 BDADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)nc1 ZINC000334846193 487573487 /nfs/dbraw/zinc/57/34/87/487573487.db2.gz MXEOCUFMGBVXOO-VXGBXAGGSA-N 2 0 219.332 1.750 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+][C@H](CO)Cc2ccccc2)C1 ZINC000093216086 488140036 /nfs/dbraw/zinc/14/00/36/488140036.db2.gz FSDRREZNGRPVKW-KKUMJFAQSA-N 2 0 248.370 1.450 20 0 BDADRP Cc1nnsc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000390237888 488141921 /nfs/dbraw/zinc/14/19/21/488141921.db2.gz GOLUBGJDGGKWJM-SNVBAGLBSA-N 2 0 240.376 1.407 20 0 BDADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC1(F)CC1)C2 ZINC000390308788 488145873 /nfs/dbraw/zinc/14/58/73/488145873.db2.gz FJMOAXYMIHWYIA-QWRGUYRKSA-N 2 0 212.312 1.549 20 0 BDADRP C[C@@H]1CCN(CC[NH2+][C@H]2CO[C@H](C3CC3)C2)C1 ZINC000667934546 488161828 /nfs/dbraw/zinc/16/18/28/488161828.db2.gz OKHCGRMHPUYKIP-BNOWGMLFSA-N 2 0 238.375 1.485 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC12CCOCC2 ZINC000683525951 488186509 /nfs/dbraw/zinc/18/65/09/488186509.db2.gz NKKDAKGCFBYUSG-ZDUSSCGKSA-N 2 0 238.375 1.726 20 0 BDADRP CC[N@@H+]1CCN(CC[C@@H]2CCC[NH+]2C)C[C@@H]1C ZINC000678081877 488192969 /nfs/dbraw/zinc/19/29/69/488192969.db2.gz GDVPCYAIGKKEQS-KBPBESRZSA-N 2 0 239.407 1.497 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2COC(C)(C)C2)[C@@H](C)C1 ZINC000669544123 488197058 /nfs/dbraw/zinc/19/70/58/488197058.db2.gz SSYHBVBOVDAHDY-XQQFMLRXSA-N 2 0 240.391 1.874 20 0 BDADRP COC[C@@]1(C)CC[N@H+](Cc2cnc3n2CCC3)C1 ZINC000668203782 488223716 /nfs/dbraw/zinc/22/37/16/488223716.db2.gz SSDMHPWNWMRKKX-AWEZNQCLSA-N 2 0 249.358 1.688 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)CCCCO)C[NH+]1CCCC1 ZINC000679333328 488340608 /nfs/dbraw/zinc/34/06/08/488340608.db2.gz JMSZZTIIVYFKMP-KGLIPLIRSA-N 2 0 242.407 1.859 20 0 BDADRP C[C@H](CCn1cccn1)[NH2+][C@@H]1CCCN(C)C1 ZINC000679384822 488348839 /nfs/dbraw/zinc/34/88/39/488348839.db2.gz ANFWBEKMVUHLHT-CHWSQXEVSA-N 2 0 236.363 1.346 20 0 BDADRP C[NH+]1CCC(CC[NH2+][C@H]2CCCOC2)CC1 ZINC000122140250 490127036 /nfs/dbraw/zinc/12/70/36/490127036.db2.gz ZDTDPVDGUHNIAO-ZDUSSCGKSA-N 2 0 226.364 1.487 20 0 BDADRP COc1ncccc1CN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000130014100 490203290 /nfs/dbraw/zinc/20/32/90/490203290.db2.gz USJXYBIKLIUVHN-AAEUAGOBSA-N 2 0 249.358 1.663 20 0 BDADRP CC1CC[NH+](CCC[NH2+][C@@H]2CCCOC2)CC1 ZINC000070463869 490215918 /nfs/dbraw/zinc/21/59/18/490215918.db2.gz RVOUVIBHQRGAPY-CQSZACIVSA-N 2 0 240.391 1.877 20 0 BDADRP CC(C)[NH2+][C@H]1CCCN(CCn2ccnc2)C1 ZINC000071201531 490258898 /nfs/dbraw/zinc/25/88/98/490258898.db2.gz PBTXNQMHAKOXRP-ZDUSSCGKSA-N 2 0 236.363 1.346 20 0 BDADRP c1cn2c(n1)C[C@H]([NH2+][C@@H]1CO[C@H](C3CC3)C1)CC2 ZINC000668011999 490318585 /nfs/dbraw/zinc/31/85/85/490318585.db2.gz PNWPLHWYCQHWNI-AGIUHOORSA-N 2 0 247.342 1.355 20 0 BDADRP CN(C)c1cccc(C[N@H+](C)C[C@H]2CC[NH2+]C2)c1 ZINC000647990379 490359455 /nfs/dbraw/zinc/35/94/55/490359455.db2.gz UYKIQHPYLFMDHH-AWEZNQCLSA-N 2 0 247.386 1.794 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@H](C)C[C@H](C)O)CC1 ZINC000305104349 490433826 /nfs/dbraw/zinc/43/38/26/490433826.db2.gz CKGIAKXONBWAQM-OLZOCXBDSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)CCO)C1CC[NH+](C)CC1 ZINC000122933847 490484859 /nfs/dbraw/zinc/48/48/59/490484859.db2.gz OUOIBHRIQFIPHZ-WDEREUQCSA-N 2 0 214.353 1.077 20 0 BDADRP Cc1ccncc1C[N@@H+](C)CC1CN(C)C1 ZINC000668539486 491127429 /nfs/dbraw/zinc/12/74/29/491127429.db2.gz XSEKSFNHCJKYGS-UHFFFAOYSA-N 2 0 219.332 1.383 20 0 BDADRP COCCC[NH+]1CCC([NH2+]C2CSC2)CC1 ZINC000309524648 491149966 /nfs/dbraw/zinc/14/99/66/491149966.db2.gz AYZVJSALIODQLL-UHFFFAOYSA-N 2 0 244.404 1.192 20 0 BDADRP CC[C@](C)(O)CN1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000310013247 491160124 /nfs/dbraw/zinc/16/01/24/491160124.db2.gz JPTRNZPWMUKYNA-OLZOCXBDSA-N 2 0 228.380 1.610 20 0 BDADRP CC(C)[C@@H](O)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000133769834 491160344 /nfs/dbraw/zinc/16/03/44/491160344.db2.gz AJMPKCWDPUTKLR-AAEUAGOBSA-N 2 0 228.380 1.323 20 0 BDADRP COCCC[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC000757131198 582505741 /nfs/dbraw/zinc/50/57/41/582505741.db2.gz PPCMDNCEKNDWBP-LBPRGKRZSA-N 2 0 212.337 1.241 20 0 BDADRP C[C@H](CC[NH+](C)C)N[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400515806 533892668 /nfs/dbraw/zinc/89/26/68/533892668.db2.gz MYVDPHLNIOTCHM-GRYCIOLGSA-N 2 0 213.369 1.057 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2C[NH3+])CS1 ZINC000306767020 533967143 /nfs/dbraw/zinc/96/71/43/533967143.db2.gz CBAOOTYRTNSYNR-ZNSHCXBVSA-N 2 0 214.378 1.597 20 0 BDADRP C[C@@H]1C[C@H]1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000488336811 534021465 /nfs/dbraw/zinc/02/14/65/534021465.db2.gz IGQRTXLQWODLEP-OLZOCXBDSA-N 2 0 240.391 1.685 20 0 BDADRP CCOC1CC([NH2+]CCC[NH+](C)C)C1 ZINC000162774871 535760327 /nfs/dbraw/zinc/76/03/27/535760327.db2.gz SXWAQZIRXPHFHG-UHFFFAOYSA-N 2 0 200.326 1.095 20 0 BDADRP C[NH+](C)[C@H]1CCCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261775990 536137744 /nfs/dbraw/zinc/13/77/44/536137744.db2.gz FBKRDWNHVOSYDJ-KGLIPLIRSA-N 2 0 239.407 1.402 20 0 BDADRP CC[NH+](CC)CCCN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400478463 528112462 /nfs/dbraw/zinc/11/24/62/528112462.db2.gz VQEZNDQLPCBQDM-QWHCGFSZSA-N 2 0 227.396 1.448 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400344728 528179563 /nfs/dbraw/zinc/17/95/63/528179563.db2.gz INWDJZKYMWWXOZ-AVGNSLFASA-N 2 0 227.396 1.447 20 0 BDADRP CC(C)C[C@H](C[NH3+])NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494573668 528505347 /nfs/dbraw/zinc/50/53/47/528505347.db2.gz HCMSBJRCWSJMID-NWDGAFQWSA-N 2 0 241.379 1.008 20 0 BDADRP CCOCCCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000165078720 528655728 /nfs/dbraw/zinc/65/57/28/528655728.db2.gz ZJGJTPSZNOQPEQ-CHWSQXEVSA-N 2 0 228.380 1.875 20 0 BDADRP CCOCCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400373137 528692258 /nfs/dbraw/zinc/69/22/58/528692258.db2.gz HPAIZHCVHSXWFA-MNOVXSKESA-N 2 0 200.326 1.143 20 0 BDADRP CC(C)[C@@](C)(C[NH3+])NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000494572618 528857819 /nfs/dbraw/zinc/85/78/19/528857819.db2.gz BELHHKHEVODSGY-DGCLKSJQSA-N 2 0 241.379 1.008 20 0 BDADRP CCC(O)(CC)CC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000471760315 528965681 /nfs/dbraw/zinc/96/56/81/528965681.db2.gz QEZMAZHENFBZQS-OLZOCXBDSA-N 2 0 242.407 2.000 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@H]1CCSC1 ZINC000335646742 534985034 /nfs/dbraw/zinc/98/50/34/534985034.db2.gz MILUSJLVGCIJMV-NXEZZACHSA-N 2 0 214.378 1.470 20 0 BDADRP CC1(C)[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@@H]21 ZINC000178975233 535041246 /nfs/dbraw/zinc/04/12/46/535041246.db2.gz OCQFKBNZMCFIAR-TXEJJXNPSA-N 2 0 208.349 1.574 20 0 BDADRP CC(C)[C@H]1C[N@H+](C)CCN1C[C@H]1CCC[NH2+]C1 ZINC000336054874 535234851 /nfs/dbraw/zinc/23/48/51/535234851.db2.gz PCCNXHNVAAFOSY-UONOGXRCSA-N 2 0 239.407 1.258 20 0 BDADRP CC[NH+](CC)CCC[N@H+](C)CC1(O)CCCC1 ZINC000178466329 535502670 /nfs/dbraw/zinc/50/26/70/535502670.db2.gz BGVQZSKXRQQESZ-UHFFFAOYSA-N 2 0 242.407 1.955 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])C1(C)C ZINC000261530553 535516610 /nfs/dbraw/zinc/51/66/10/535516610.db2.gz CQVGNIDIAYOOEC-CHWFTXMASA-N 2 0 214.353 1.515 20 0 BDADRP CCC[C@@](C)(CO)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000261540206 535521337 /nfs/dbraw/zinc/52/13/37/535521337.db2.gz DUKHHSHTHNUTHV-NEPJUHHUSA-N 2 0 214.353 1.127 20 0 BDADRP CCOCC[N@H+](CC)CC[C@@H]1CC[NH2+]C1 ZINC000084385924 535586015 /nfs/dbraw/zinc/58/60/15/535586015.db2.gz WMFURZVOHJEIMC-LBPRGKRZSA-N 2 0 214.353 1.344 20 0 BDADRP CCS[C@H]1CCCC[N@H+](C[C@H](C)[NH3+])C1 ZINC000261535360 535724919 /nfs/dbraw/zinc/72/49/19/535724919.db2.gz OGZGUJBFNIAYER-QWRGUYRKSA-N 2 0 216.394 1.941 20 0 BDADRP CC[C@H](O)CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000253014073 535977923 /nfs/dbraw/zinc/97/79/23/535977923.db2.gz FRZJISKFOJKXEV-REWJHTLYSA-N 2 0 240.391 1.658 20 0 BDADRP CN(CCC[NH+]1CCCC1)CC[NH2+]C(C)(C)C ZINC000053661296 536346368 /nfs/dbraw/zinc/34/63/68/536346368.db2.gz ZGJRGPYHPIOOOO-UHFFFAOYSA-N 2 0 241.423 1.792 20 0 BDADRP COCCC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000169234495 536590926 /nfs/dbraw/zinc/59/09/26/536590926.db2.gz OWENJGDJNAOHQJ-QWHCGFSZSA-N 2 0 220.316 1.757 20 0 BDADRP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000261530962 536706851 /nfs/dbraw/zinc/70/68/51/536706851.db2.gz DQZZXKDYPCJDGX-NNYUYHANSA-N 2 0 212.337 1.271 20 0 BDADRP COc1ccccc1C[NH2+][C@@H](C)CC[NH3+] ZINC000220536199 537048795 /nfs/dbraw/zinc/04/87/95/537048795.db2.gz XOCUKEDJWPFINJ-JTQLQIEISA-N 2 0 208.305 1.522 20 0 BDADRP C[C@@]1(CN2CC[C@@]3(C2)CCC[NH2+]C3)CC[NH2+]C1 ZINC000334420929 566396384 /nfs/dbraw/zinc/39/63/84/566396384.db2.gz QPISGUGSODTTBX-KGLIPLIRSA-N 2 0 237.391 1.062 20 0 BDADRP CC(C)[N@@H+](C)C[C@H](C)Nc1cc[nH+]cc1CO ZINC000893905098 583243052 /nfs/dbraw/zinc/24/30/52/583243052.db2.gz LVYBUXAZMMFQSM-NSHDSACASA-N 2 0 237.347 1.136 20 0 BDADRP [NH3+]C[C@H]1CCCCN1CCC1SCCS1 ZINC000853022957 588716793 /nfs/dbraw/zinc/71/67/93/588716793.db2.gz IZSHBVNHIYVKNE-SNVBAGLBSA-N 2 0 246.445 1.996 20 0 BDADRP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCC12CCOCC2 ZINC000854232254 588779792 /nfs/dbraw/zinc/77/97/92/588779792.db2.gz OQFHLBPQVGHAGU-WDEREUQCSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1C[C@@H](O)c2ccccc21 ZINC000854228539 588780809 /nfs/dbraw/zinc/78/08/09/588780809.db2.gz AFUJGEUKUFJHKA-DUBDDPSESA-N 2 0 234.343 1.880 20 0 BDADRP Cc1cc(NCC[NH+]2CCCCC2)nc(N)[nH+]1 ZINC000112590188 588804455 /nfs/dbraw/zinc/80/44/55/588804455.db2.gz VYRPFMCYOLNRDN-UHFFFAOYSA-N 2 0 235.335 1.265 20 0 BDADRP C[NH+](C)C[C@H]1CCN(C/C=C/Cl)C1 ZINC000113515034 588842779 /nfs/dbraw/zinc/84/27/79/588842779.db2.gz POYFRDUFRQGUIF-RXNUUUNCSA-N 2 0 202.729 1.622 20 0 BDADRP CC[N@H+](C[C@@H]1CCOC1)CC1CC[NH+](C)CC1 ZINC000891660187 582706432 /nfs/dbraw/zinc/70/64/32/582706432.db2.gz NFFIGSPHMYNIAX-AWEZNQCLSA-N 2 0 240.391 1.687 20 0 BDADRP CC[N@H+](C[C@@H]1CCCO1)CC1CC[NH+](C)CC1 ZINC000891783490 582720485 /nfs/dbraw/zinc/72/04/85/582720485.db2.gz HLLUJARQLMNCFA-AWEZNQCLSA-N 2 0 240.391 1.829 20 0 BDADRP CC(C)[C@H](CNC(=[NH2+])N1CCC1)[NH+]1CCCC1 ZINC000848983980 582816744 /nfs/dbraw/zinc/81/67/44/582816744.db2.gz AFJSLCFUAMPKSV-LBPRGKRZSA-N 2 0 238.379 1.337 20 0 BDADRP C[C@H]1CC[N@H+](CCNC(=[NH2+])N2CCCCC2)C1 ZINC000849004158 582821881 /nfs/dbraw/zinc/82/18/81/582821881.db2.gz CVPHRWAGZIJUDU-LBPRGKRZSA-N 2 0 238.379 1.338 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])NC1CCC1 ZINC000849006067 582822538 /nfs/dbraw/zinc/82/25/38/582822538.db2.gz QFBRWHDHNFKGHA-GFCCVEGCSA-N 2 0 238.379 1.527 20 0 BDADRP CCNC(=[NH2+])NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000849013684 582825794 /nfs/dbraw/zinc/82/57/94/582825794.db2.gz IRJBJBDTBFFRMT-LBPRGKRZSA-N 2 0 240.395 1.488 20 0 BDADRP CCCC[N@H+](C)CCNc1cc[nH+]cc1CO ZINC000892491685 582897991 /nfs/dbraw/zinc/89/79/91/582897991.db2.gz FICLUWBPKVDOKR-UHFFFAOYSA-N 2 0 237.347 1.140 20 0 BDADRP C[C@@H]1CC[C@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000783244417 582953036 /nfs/dbraw/zinc/95/30/36/582953036.db2.gz UHZGQHHOAHWQFT-TZMCWYRMSA-N 2 0 239.407 1.401 20 0 BDADRP CCc1onc(C)c1C[NH2+]CCCC[NH+](C)C ZINC000892740599 582974582 /nfs/dbraw/zinc/97/45/82/582974582.db2.gz JWOIWUGFZMZOJO-UHFFFAOYSA-N 2 0 239.363 1.977 20 0 BDADRP C[NH+](C)[C@H]1CCC[C@H](Nc2cc[nH+]cc2CO)C1 ZINC000892824730 582989588 /nfs/dbraw/zinc/98/95/88/582989588.db2.gz UEDWGRUMYBICBS-STQMWFEESA-N 2 0 249.358 1.281 20 0 BDADRP C[C@@H]1CCCN1CC[NH2+]CC1CC[NH+](C)CC1 ZINC000893357281 583121500 /nfs/dbraw/zinc/12/15/00/583121500.db2.gz QPJMYQKZLMDJPP-CYBMUJFWSA-N 2 0 239.407 1.402 20 0 BDADRP Fc1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000843341287 583228000 /nfs/dbraw/zinc/22/80/00/583228000.db2.gz SYVKBHOJYNRDPQ-QJPTWQEYSA-N 2 0 249.333 1.698 20 0 BDADRP [NH3+][C@]12CCC[C@H]1CN(C/C=C\Cl)C2 ZINC000857086135 588886961 /nfs/dbraw/zinc/88/69/61/588886961.db2.gz RRSVUIAUKASXRP-UVIRMYHISA-N 2 0 200.713 1.552 20 0 BDADRP CCC(O)(CC)CC[NH2+]CC1CC[NH+](C)CC1 ZINC000893950294 583260756 /nfs/dbraw/zinc/26/07/56/583260756.db2.gz GWPCPYGOVXRSCA-UHFFFAOYSA-N 2 0 242.407 1.859 20 0 BDADRP Cc1ncoc1CNC[C@H](C)C[NH+]1CCCC1 ZINC000894193512 583333972 /nfs/dbraw/zinc/33/39/72/583333972.db2.gz RFXDHMJNCIGIOJ-NSHDSACASA-N 2 0 237.347 1.805 20 0 BDADRP Cc1cc([C@H](C)[NH2+]CC[C@H](C)[NH3+])n(C)n1 ZINC000857252818 588901291 /nfs/dbraw/zinc/90/12/91/588901291.db2.gz DVCFYSAAYXPUTI-WPRPVWTQSA-N 2 0 210.325 1.116 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCOCC23CC3)CC1 ZINC000894278386 583406755 /nfs/dbraw/zinc/40/67/55/583406755.db2.gz FUSJJDGZUGERSC-UHFFFAOYSA-N 2 0 224.348 1.193 20 0 BDADRP CC(C)(C)[N@@H+]1CC[C@H]1CNc1cc[nH+]cc1CO ZINC000894476993 583469898 /nfs/dbraw/zinc/46/98/98/583469898.db2.gz VUMZSMBNYQXAOJ-LBPRGKRZSA-N 2 0 249.358 1.281 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CC[C@@H]2C2CC2)CC1 ZINC000894690986 583508371 /nfs/dbraw/zinc/50/83/71/583508371.db2.gz WLQWZBYXPVHIEA-CYBMUJFWSA-N 2 0 208.349 1.813 20 0 BDADRP CC(=O)OC[C@@H](C)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000894806751 583522993 /nfs/dbraw/zinc/52/29/93/583522993.db2.gz KGKCZOZAIDVVQA-LLVKDONJSA-N 2 0 242.363 1.402 20 0 BDADRP C[NH+]1CCC(C[NH+]2CC3(C2)CCOCC3)CC1 ZINC000894829881 583527203 /nfs/dbraw/zinc/52/72/03/583527203.db2.gz HCRHCVJKFPFRLL-UHFFFAOYSA-N 2 0 238.375 1.441 20 0 BDADRP C[C@@H](CC[NH2+]Cc1cccc2n[nH]cc21)[NH+](C)C ZINC000895293180 583639425 /nfs/dbraw/zinc/63/94/25/583639425.db2.gz VSWJXFULNSGGIG-NSHDSACASA-N 2 0 246.358 1.993 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2C[C@@H]3COC[C@]3(C)C2)CC1 ZINC000895386801 583663314 /nfs/dbraw/zinc/66/33/14/583663314.db2.gz YCCILGUTEXEEBY-KGLIPLIRSA-N 2 0 238.375 1.297 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)CC1 ZINC000895399610 583665658 /nfs/dbraw/zinc/66/56/58/583665658.db2.gz CKPJQBUWYORTMS-CHWSQXEVSA-N 2 0 238.375 1.221 20 0 BDADRP C[C@@H](CC[NH2+][C@H]1COC2(CCC2)C1)[NH+](C)C ZINC000895428892 583668395 /nfs/dbraw/zinc/66/83/95/583668395.db2.gz JZYWNWTXIJIYMV-NWDGAFQWSA-N 2 0 226.364 1.628 20 0 BDADRP C[C@@H](CC[NH2+]C1CC2(C1)CO[C@@H](C)C2)[NH+](C)C ZINC000895429260 583669004 /nfs/dbraw/zinc/66/90/04/583669004.db2.gz LZWXOCKJHHMGEE-FEPKRQSRSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@H]1[C@H](Nc2nccc(N(C)C)n2)CC[N@@H+]1C ZINC000895740216 583714029 /nfs/dbraw/zinc/71/40/29/583714029.db2.gz MKVVPFJSCMBDLQ-VHSXEESVSA-N 2 0 235.335 1.047 20 0 BDADRP CS[C@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)C1 ZINC000895778385 583726688 /nfs/dbraw/zinc/72/66/88/583726688.db2.gz WQWYIYXAJRJSJK-HAQNSBGRSA-N 2 0 228.405 1.812 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000883441104 583816248 /nfs/dbraw/zinc/81/62/48/583816248.db2.gz HDQVFKYVSDSDCT-YYHQMBLXSA-N 2 0 238.375 1.659 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+][C@H](CO)C2CC2)CC1(C)C ZINC000858138071 588934992 /nfs/dbraw/zinc/93/49/92/588934992.db2.gz NJIVFFUGAJVKIN-VXGBXAGGSA-N 2 0 226.364 1.220 20 0 BDADRP C[NH2+][C@H](C)Cc1noc([C@@H]2C[C@@H]([NH3+])C2(C)C)n1 ZINC000871788857 583943905 /nfs/dbraw/zinc/94/39/05/583943905.db2.gz OPQRRYLDBFQTNU-HRDYMLBCSA-N 2 0 238.335 1.061 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C1 ZINC000250661910 583963670 /nfs/dbraw/zinc/96/36/70/583963670.db2.gz YXXJCERVRPLCDC-HZSPNIEDSA-N 2 0 240.391 1.875 20 0 BDADRP CC[N@H+](CCNC(=[NH2+])N[C@@H]1C[C@@H]1C)C(C)C ZINC000864456777 584006262 /nfs/dbraw/zinc/00/62/62/584006262.db2.gz MHIVGPIGVKZECD-WDEREUQCSA-N 2 0 226.368 1.239 20 0 BDADRP C[C@H](C[NH2+]Cc1ccoc1)N1CC[NH+](C)CC1 ZINC000729683124 584022404 /nfs/dbraw/zinc/02/24/04/584022404.db2.gz HBIONQAHDHQHEX-GFCCVEGCSA-N 2 0 237.347 1.005 20 0 BDADRP CC[C@@](C)(C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)OC ZINC000897620193 584032211 /nfs/dbraw/zinc/03/22/11/584032211.db2.gz IPIHCFIQCATDFJ-MJBXVCDLSA-N 2 0 240.391 1.685 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C2CC(CCO)C2)CN1C1CC1 ZINC000898007978 584070253 /nfs/dbraw/zinc/07/02/53/584070253.db2.gz IOBJGDLYQVMCGY-IKWCTNDRSA-N 2 0 238.375 1.362 20 0 BDADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C1CC(CCO)C1 ZINC000898008861 584070830 /nfs/dbraw/zinc/07/08/30/584070830.db2.gz XUGHHWRPGGYYFB-MLCFOIATSA-N 2 0 238.375 1.220 20 0 BDADRP COC[C@H](C)C[NH2+][C@]12CCC[C@@H]1[NH2+]CC2 ZINC000873231649 584127487 /nfs/dbraw/zinc/12/74/87/584127487.db2.gz PZEYBUMNGFTYTK-WOPDTQHZSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H](CCc1ccco1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873255018 584128087 /nfs/dbraw/zinc/12/80/87/584128087.db2.gz DBGQEXLRSKWVTC-UTUOFQBUSA-N 2 0 222.332 1.928 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1)C1C[NH2+]C1 ZINC000873281879 584128849 /nfs/dbraw/zinc/12/88/49/584128849.db2.gz QHEQROHBYUACRI-LFSVMHDDSA-N 2 0 224.348 1.142 20 0 BDADRP Cc1nccnc1[C@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000873296204 584129315 /nfs/dbraw/zinc/12/93/15/584129315.db2.gz CTHHSXFIWXOJJL-JQWIXIFHSA-N 2 0 236.363 1.953 20 0 BDADRP C[C@H](NC(=[NH2+])NCC(C)(C)C[NH+](C)C)C1CC1 ZINC000899263880 584188255 /nfs/dbraw/zinc/18/82/55/584188255.db2.gz TXMQUZULIPDRSH-JTQLQIEISA-N 2 0 240.395 1.487 20 0 BDADRP C[C@@H](NC(=[NH2+])NCCC[NH2+]C(C)(C)C)C1CC1 ZINC000899264997 584188981 /nfs/dbraw/zinc/18/89/81/584188981.db2.gz PSTTWFJAHYWDKK-SNVBAGLBSA-N 2 0 240.395 1.677 20 0 BDADRP CC(C)[N@H+](C)CCCNC(=[NH2+])N[C@H](C)C1CC1 ZINC000899265382 584189478 /nfs/dbraw/zinc/18/94/78/584189478.db2.gz AMYUNEGLYYBXHA-LLVKDONJSA-N 2 0 240.395 1.629 20 0 BDADRP CC(C)(C[NH3+])Cc1nc(C2([NH3+])CCCC2)no1 ZINC000900005376 584264435 /nfs/dbraw/zinc/26/44/35/584264435.db2.gz HESFCGHHMAROGB-UHFFFAOYSA-N 2 0 238.335 1.325 20 0 BDADRP C[C@]1(c2nc(C3([NH3+])CCC3)no2)CCC[NH2+]1 ZINC000900008522 584264565 /nfs/dbraw/zinc/26/45/65/584264565.db2.gz KRIOHGXFSYSXCK-SNVBAGLBSA-N 2 0 222.292 1.006 20 0 BDADRP C[NH2+][C@@H](C)Cc1noc([C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000900008251 584264803 /nfs/dbraw/zinc/26/48/03/584264803.db2.gz BPBDJICGHVFWIA-AEJSXWLSSA-N 2 0 238.335 1.205 20 0 BDADRP C[C@@H](C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)C[C@H](C)O ZINC000902326044 584560348 /nfs/dbraw/zinc/56/03/48/584560348.db2.gz BLIZVKMOGBNLRU-FRRDWIJNSA-N 2 0 242.407 1.761 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H](NCC[NH+]2CCCC2)C1 ZINC000902326671 584560767 /nfs/dbraw/zinc/56/07/67/584560767.db2.gz CTIBYRBJFMEXOI-CYBMUJFWSA-N 2 0 239.407 1.450 20 0 BDADRP CC1(C)C[NH2+]CC[C@H](NCC[NH+]2CCCC2)C1 ZINC000902326672 584560886 /nfs/dbraw/zinc/56/08/86/584560886.db2.gz CTIBYRBJFMEXOI-ZDUSSCGKSA-N 2 0 239.407 1.450 20 0 BDADRP CC[C@H](CCO)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902358695 584570805 /nfs/dbraw/zinc/57/08/05/584570805.db2.gz CMIIGRRBXBOHJZ-VXGBXAGGSA-N 2 0 228.380 1.515 20 0 BDADRP C[C@@H](CCO)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902360328 584571192 /nfs/dbraw/zinc/57/11/92/584571192.db2.gz KWDAMWGTGLKHTN-WDEREUQCSA-N 2 0 214.353 1.125 20 0 BDADRP C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1ccc2c(c1)CCO2 ZINC000902406251 584573099 /nfs/dbraw/zinc/57/30/99/584573099.db2.gz QNNVFNWUWBKXFW-GHMZBOCLSA-N 2 0 246.354 1.880 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@H]2C[C@H](O)C2)C1 ZINC000902406638 584573860 /nfs/dbraw/zinc/57/38/60/584573860.db2.gz OUHYGZDVVNRWOD-IJLUTSLNSA-N 2 0 226.364 1.125 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+]CC2([NH3+])CC2)CCO1 ZINC000902412538 584575964 /nfs/dbraw/zinc/57/59/64/584575964.db2.gz CRLSCDTVPOABTR-MNOVXSKESA-N 2 0 212.337 1.271 20 0 BDADRP CC(C)[C@@H]1C[C@@H]([NH2+]CC2([NH3+])CC2)CCO1 ZINC000902412539 584576074 /nfs/dbraw/zinc/57/60/74/584576074.db2.gz CRLSCDTVPOABTR-QWRGUYRKSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@H](CC(C)(C)O)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902388252 584579796 /nfs/dbraw/zinc/57/97/96/584579796.db2.gz NASWRSQGCQUSOS-NEPJUHHUSA-N 2 0 242.407 1.904 20 0 BDADRP CO[C@@H](C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)C1CC1 ZINC000902389086 584580607 /nfs/dbraw/zinc/58/06/07/584580607.db2.gz RXXQWEBDJNIFKF-OLZOCXBDSA-N 2 0 240.391 1.779 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CC2=CC[NH2+]CC2)C1 ZINC000902393962 584583607 /nfs/dbraw/zinc/58/36/07/584583607.db2.gz SMFCWCFUGQVOGH-ZDUSSCGKSA-N 3 0 237.391 1.274 20 0 BDADRP [NH3+]C1(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000902404715 584588831 /nfs/dbraw/zinc/58/88/31/584588831.db2.gz BULVDHZLZLYIAM-YNEHKIRRSA-N 2 0 237.391 1.378 20 0 BDADRP [NH3+]C1(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000902404712 584589091 /nfs/dbraw/zinc/58/90/91/584589091.db2.gz BULVDHZLZLYIAM-FRRDWIJNSA-N 2 0 237.391 1.378 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902404054 584589279 /nfs/dbraw/zinc/58/92/79/584589279.db2.gz ISPPLPSYMQRLJV-OLZOCXBDSA-N 2 0 242.407 1.905 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC(C)(C)C1CC1 ZINC000902429785 584594925 /nfs/dbraw/zinc/59/49/25/584594925.db2.gz GYXGQXSRNHWYSU-WCFLWFBJSA-N 2 0 240.391 1.765 20 0 BDADRP C[C@@H]([NH2+]CC(C)(C)C1CCOCC1)C1C[NH2+]C1 ZINC000902432863 584596225 /nfs/dbraw/zinc/59/62/25/584596225.db2.gz RJMCWSUJNFYYOI-LLVKDONJSA-N 2 0 240.391 1.637 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cnn(CCF)c1 ZINC000902442312 584597513 /nfs/dbraw/zinc/59/75/13/584597513.db2.gz BHEWMOXOVPBGQA-LLVKDONJSA-N 2 0 242.342 1.460 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1C[NH2+]CC1(C)C)[NH2+]2 ZINC000902441227 584597684 /nfs/dbraw/zinc/59/76/84/584597684.db2.gz CTSXJYIPLLIFKD-FHUSYTEZSA-N 2 0 237.391 1.103 20 0 BDADRP CC1(C)C[NH2+]C[C@H]1N[C@H]1CC[NH2+]C12CCCC2 ZINC000902443564 584598190 /nfs/dbraw/zinc/59/81/90/584598190.db2.gz LCGDOPLZGJVNGV-NWDGAFQWSA-N 2 0 237.391 1.249 20 0 BDADRP CC1(C)C[NH2+]C[C@H]1N[C@@H]1CC[NH2+]C12CCCC2 ZINC000902443572 584598195 /nfs/dbraw/zinc/59/81/95/584598195.db2.gz LCGDOPLZGJVNGV-VXGBXAGGSA-N 2 0 237.391 1.249 20 0 BDADRP CC1(C)C[NH2+]C[C@@H]1N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000902443212 584598407 /nfs/dbraw/zinc/59/84/07/584598407.db2.gz KQFJPHQOQRRZPU-WOPDTQHZSA-N 2 0 225.380 1.092 20 0 BDADRP CC1(C)C[NH2+]C[C@@H]1N[C@H]1CC[NH2+]C12CCCC2 ZINC000902443568 584598500 /nfs/dbraw/zinc/59/85/00/584598500.db2.gz LCGDOPLZGJVNGV-RYUDHWBXSA-N 2 0 237.391 1.249 20 0 BDADRP COCC1CCC([NH2+][C@H]2C[NH2+]CC2(C)C)CC1 ZINC000902445968 584598894 /nfs/dbraw/zinc/59/88/94/584598894.db2.gz RCMYTIVMWLTRKK-BPCQOVAHSA-N 2 0 240.391 1.779 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cnn(CCF)c2)C1 ZINC000902445329 584598927 /nfs/dbraw/zinc/59/89/27/584598927.db2.gz KYUDWDSTMHDJJE-NEPJUHHUSA-N 2 0 240.326 1.212 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]CC2([NH3+])CC2)C12CCC2 ZINC000902413579 584599675 /nfs/dbraw/zinc/59/96/75/584599675.db2.gz OBORVLIJJYISAK-WDEREUQCSA-N 2 0 224.348 1.415 20 0 BDADRP CCC1(CC)[C@@H]([NH2+]CC2([NH3+])CC2)C[C@@H]1OC ZINC000902414043 584599835 /nfs/dbraw/zinc/59/98/35/584599835.db2.gz RATFZZAFCJJPPS-QWRGUYRKSA-N 2 0 226.364 1.661 20 0 BDADRP CCC1(CC)[C@H]([NH2+]CC2([NH3+])CC2)C[C@H]1OC ZINC000902414041 584599914 /nfs/dbraw/zinc/59/99/14/584599914.db2.gz RATFZZAFCJJPPS-GHMZBOCLSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C[N@@H+]1C1CC1 ZINC000902474496 584601823 /nfs/dbraw/zinc/60/18/23/584601823.db2.gz FPECVYALCYHSLE-SSYGJKRZSA-N 2 0 235.375 1.094 20 0 BDADRP C[C@@H](NC[C@H]1CCCCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000902474265 584602265 /nfs/dbraw/zinc/60/22/65/584602265.db2.gz CBPRKERMWJBNHT-UPJWGTAASA-N 2 0 225.380 1.249 20 0 BDADRP C(N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)[C@@H]1CCCCC[NH2+]1 ZINC000902476270 584602648 /nfs/dbraw/zinc/60/26/48/584602648.db2.gz LAIASDXSFAEVSD-GXYBRJDSSA-N 2 0 249.402 1.105 20 0 BDADRP C1C[C@@H]2C[C@H](N[C@@H]3C[C@H]4CC[C@@H]3[NH2+]4)CC[N@@H+]2C1 ZINC000902475290 584602677 /nfs/dbraw/zinc/60/26/77/584602677.db2.gz HRZQXTNTZMTROF-XGFWRYKXSA-N 2 0 235.375 1.096 20 0 BDADRP C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCCC[NH2+]1 ZINC000902474734 584602993 /nfs/dbraw/zinc/60/29/93/584602993.db2.gz FBJJKWXHZULPFY-RBKKPWLPSA-N 2 0 237.391 1.391 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC[C@@H]1CCCCC[NH2+]1 ZINC000902479419 584604185 /nfs/dbraw/zinc/60/41/85/584604185.db2.gz XMTSUURDGFUTIA-SRVKXCTJSA-N 2 0 213.369 1.234 20 0 BDADRP C[C@H](N[C@H]1C[NH2+]CC1(C)C)c1c[nH+]ccc1N ZINC000902447231 584604624 /nfs/dbraw/zinc/60/46/24/584604624.db2.gz XLYLXDNHIJAUDV-CABZTGNLSA-N 2 0 234.347 1.143 20 0 BDADRP COC1CCC([NH2+][C@H]2C[NH2+]CC2(C)C)CC1 ZINC000902448370 584605603 /nfs/dbraw/zinc/60/56/03/584605603.db2.gz DNGMKZJCKHUHOD-MCIGGMRASA-N 2 0 226.364 1.532 20 0 BDADRP C[C@H]([NH2+][C@H]1C[NH2+]CC1(C)C)C1CCOCC1 ZINC000902449393 584605978 /nfs/dbraw/zinc/60/59/78/584605978.db2.gz NUHBQVWZTCOILT-JQWIXIFHSA-N 2 0 226.364 1.389 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@H]2CCC[C@@H]21 ZINC000902452760 584607972 /nfs/dbraw/zinc/60/79/72/584607972.db2.gz ALXMSNYGKOPUQW-MROQNXINSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCN1CCC(C)(C)C1 ZINC000902456237 584610107 /nfs/dbraw/zinc/61/01/07/584610107.db2.gz NVUGFWLIEUHCAS-CYBMUJFWSA-N 2 0 241.423 1.825 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc2nonc2c1 ZINC000902458094 584610139 /nfs/dbraw/zinc/61/01/39/584610139.db2.gz STZFOONBWFTAFH-MNOVXSKESA-N 2 0 246.314 1.440 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H]21 ZINC000902458530 584610825 /nfs/dbraw/zinc/61/08/25/584610825.db2.gz VOKJLUOZLRFZGH-QNWJLWSRSA-N 2 0 208.349 1.892 20 0 BDADRP [NH3+][C@@H]1C[C@@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c2ccccc21 ZINC000902460627 584611841 /nfs/dbraw/zinc/61/18/41/584611841.db2.gz HWFPTYHXSKXUSG-JZLHEVAFSA-N 2 0 243.354 1.614 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC000902464236 584613064 /nfs/dbraw/zinc/61/30/64/584613064.db2.gz BAPVFOIQWVFAOJ-NJMOYASZSA-N 2 0 237.391 1.375 20 0 BDADRP COCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902468319 584614461 /nfs/dbraw/zinc/61/44/61/584614461.db2.gz VAKXACDOENEBQG-MQLXINIDSA-N 2 0 238.375 1.674 20 0 BDADRP C1C[NH2+][C@H]([C@H]2CCC[C@@H]2N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC000902468235 584614551 /nfs/dbraw/zinc/61/45/51/584614551.db2.gz RYVKVTVASFOMKP-SPJHXALWSA-N 2 0 249.402 1.390 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC000902466915 584614930 /nfs/dbraw/zinc/61/49/30/584614930.db2.gz ORHZDBKDPSJOPQ-NAWOPXAZSA-N 2 0 224.348 1.427 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@H]1CCCOC1 ZINC000902466973 584614970 /nfs/dbraw/zinc/61/49/70/584614970.db2.gz JXWYRRHPYOPFKK-JZRPKSSGSA-N 2 0 224.348 1.284 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902468322 584614984 /nfs/dbraw/zinc/61/49/84/584614984.db2.gz VAKXACDOENEBQG-ZUWCUPBKSA-N 2 0 238.375 1.674 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000902469062 584615845 /nfs/dbraw/zinc/61/58/45/584615845.db2.gz ORHZDBKDPSJOPQ-NZEXEKPDSA-N 2 0 224.348 1.427 20 0 BDADRP CC(C)[C@H]1CC[C@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902470650 584616605 /nfs/dbraw/zinc/61/66/05/584616605.db2.gz ZHLKRBOALATZSU-ZOLYEBIHSA-N 2 0 208.349 1.904 20 0 BDADRP CC[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@H]1CCOC1 ZINC000902472134 584617517 /nfs/dbraw/zinc/61/75/17/584617517.db2.gz XQQQPVWHVQPHDE-KIJLLGNVSA-N 2 0 224.348 1.284 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CC[C@H](O)C2CC2)C1 ZINC000902501458 584620532 /nfs/dbraw/zinc/62/05/32/584620532.db2.gz BJZNXFRBKSHWCK-STQMWFEESA-N 2 0 240.391 1.515 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC[C@H](O)C1CC1 ZINC000902503719 584620745 /nfs/dbraw/zinc/62/07/45/584620745.db2.gz JSLPVVPNBRRFSH-RTXFEEFZSA-N 2 0 226.364 1.125 20 0 BDADRP CC[C@H]([NH2+]CC[C@H](O)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000902506202 584621960 /nfs/dbraw/zinc/62/19/60/584621960.db2.gz XIOPVHFPEIGPBU-AVGNSLFASA-N 2 0 226.364 1.268 20 0 BDADRP Cc1ncccc1CC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000902512729 584623470 /nfs/dbraw/zinc/62/34/70/584623470.db2.gz IZYYKKBWWRVAAP-UONOGXRCSA-N 2 0 245.370 1.792 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCCCC[NH2+]1 ZINC000902484968 584624944 /nfs/dbraw/zinc/62/49/44/584624944.db2.gz XPWXGMULNIQTIL-OLZOCXBDSA-N 3 0 227.396 1.626 20 0 BDADRP CC1(C)[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)[C@@H]2CCCO[C@@H]21 ZINC000902485632 584625488 /nfs/dbraw/zinc/62/54/88/584625488.db2.gz LSULFODUTQZPEU-NWBUJAPZSA-N 2 0 238.375 1.517 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)[C@@H](C)C1 ZINC000902487736 584626888 /nfs/dbraw/zinc/62/68/88/584626888.db2.gz LXASAWKBOPQVPJ-ZDEQEGDKSA-N 3 0 225.380 1.044 20 0 BDADRP Cc1cc([C@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)no1 ZINC000902488530 584627263 /nfs/dbraw/zinc/62/72/63/584627263.db2.gz YYDIFKOVMZRSOA-GUBZILKMSA-N 2 0 209.293 1.371 20 0 BDADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000902488939 584627321 /nfs/dbraw/zinc/62/73/21/584627321.db2.gz OTGNKSWGZGCCFL-HTVCTNPSSA-N 3 0 237.391 1.234 20 0 BDADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902489007 584627358 /nfs/dbraw/zinc/62/73/58/584627358.db2.gz PRVOJFXHVSQKIF-XUXIUFHCSA-N 3 0 239.407 1.624 20 0 BDADRP Cc1ncc([C@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)c(C)n1 ZINC000902488777 584627375 /nfs/dbraw/zinc/62/73/75/584627375.db2.gz NVPKVMZWGGTSNQ-DLOVCJGASA-N 2 0 234.347 1.481 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]C/C=C/Cl)C12CCC2 ZINC000902516022 584630397 /nfs/dbraw/zinc/63/03/97/584630397.db2.gz BSGMFXDIEMXBEP-YQRQKROXSA-N 2 0 200.713 1.598 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2COC[C@H]2C2CC2)C1 ZINC000902522019 584631285 /nfs/dbraw/zinc/63/12/85/584631285.db2.gz VEWZLXYNGAESFD-VOAKCMCISA-N 2 0 224.348 1.271 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1COC[C@H]1C1CC1 ZINC000902522034 584631492 /nfs/dbraw/zinc/63/14/92/584631492.db2.gz VKGYCAZZEVZFJD-QSFUFRPTSA-N 2 0 212.337 1.127 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2COC[C@@H]2C2CC2)C12CCC2 ZINC000902521701 584631557 /nfs/dbraw/zinc/63/15/57/584631557.db2.gz STHMBWDUTQXJEC-LPWJVIDDSA-N 2 0 236.359 1.271 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2COC[C@H]2C2CC2)C12CCC2 ZINC000902521699 584631824 /nfs/dbraw/zinc/63/18/24/584631824.db2.gz STHMBWDUTQXJEC-LOWDOPEQSA-N 2 0 236.359 1.271 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@H]1CCC[C@@H]1OC ZINC000903067371 584723246 /nfs/dbraw/zinc/72/32/46/584723246.db2.gz SEORFMNHNWIYRG-STQMWFEESA-N 2 0 244.379 1.112 20 0 BDADRP CC[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903201332 584735363 /nfs/dbraw/zinc/73/53/63/584735363.db2.gz XLAJNZPPFNETQX-ZHDCTAKOSA-N 2 0 238.375 1.505 20 0 BDADRP C[C@H]([NH2+]C1CC(CCO)C1)C1CC[NH+](C)CC1 ZINC000903327879 584753471 /nfs/dbraw/zinc/75/34/71/584753471.db2.gz AXEIDZCTUALRQO-DCBWTQNWSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H](O)C1CC1)C1CC[NH+](C)CC1 ZINC000903404767 584758192 /nfs/dbraw/zinc/75/81/92/584758192.db2.gz LVASUFZXPSAFPE-BXUZGUMPSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@H]([NH2+]CC[C@@H](O)C1CC1)C1CC[NH+](C)CC1 ZINC000903404770 584758203 /nfs/dbraw/zinc/75/82/03/584758203.db2.gz LVASUFZXPSAFPE-SMDDNHRTSA-N 2 0 240.391 1.467 20 0 BDADRP CC(C)(C)C[N@H+](CCO)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903435103 584762032 /nfs/dbraw/zinc/76/20/32/584762032.db2.gz ONIXAKRXEYNOMV-NEPJUHHUSA-N 2 0 228.380 1.454 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCCO1 ZINC000903458856 584765781 /nfs/dbraw/zinc/76/57/81/584765781.db2.gz LSMRMNKMXTYUMZ-WISYIIOYSA-N 2 0 212.337 1.271 20 0 BDADRP CC[C@@](C)(CC(=O)OC)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903459738 584765868 /nfs/dbraw/zinc/76/58/68/584765868.db2.gz YOKGYBSHNIFKLZ-MDZLAQPJSA-N 2 0 242.363 1.435 20 0 BDADRP COC[C@@H](C[NH2+][C@@H]1CCCC[C@H]1[NH3+])C(C)C ZINC000903459641 584766182 /nfs/dbraw/zinc/76/61/82/584766182.db2.gz NAQLHLOVPWHFOO-JHJVBQTASA-N 2 0 228.380 1.765 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN1C[C@H]([NH3+])Cc2ccccc21 ZINC000903460035 584766904 /nfs/dbraw/zinc/76/69/04/584766904.db2.gz VBSJSWGLKUDJMG-KWCYVHTRSA-N 2 0 245.370 1.232 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)C1 ZINC000903442265 584767237 /nfs/dbraw/zinc/76/72/37/584767237.db2.gz MZAJTRRJQIARMH-RWMBFGLXSA-N 2 0 248.374 1.717 20 0 BDADRP CC[NH+](CC)C[C@@H]1CCN(C[C@H]2CCC[NH2+]2)C1 ZINC000903443448 584768459 /nfs/dbraw/zinc/76/84/59/584768459.db2.gz CFMLJZIUPUXVSQ-UONOGXRCSA-N 2 0 239.407 1.402 20 0 BDADRP CC[N@@H+]1CC[C@@H](N(C)C[C@H]2CCC[NH2+]2)C[C@@H]1C ZINC000903445065 584769742 /nfs/dbraw/zinc/76/97/42/584769742.db2.gz XRTTYKMIAIRAFR-BFHYXJOUSA-N 2 0 239.407 1.543 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000903447095 584770762 /nfs/dbraw/zinc/77/07/62/584770762.db2.gz DIYNWIOGCSPXKP-NGDQXYMTSA-N 2 0 244.329 1.947 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903449786 584771202 /nfs/dbraw/zinc/77/12/02/584771202.db2.gz GDPORDPTNUAXTP-XQQFMLRXSA-N 3 0 225.380 1.175 20 0 BDADRP [NH3+]CC[C@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903449785 584771572 /nfs/dbraw/zinc/77/15/72/584771572.db2.gz GDPORDPTNUAXTP-UPJWGTAASA-N 3 0 225.380 1.175 20 0 BDADRP C([C@H]1CCC[NH2+]1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000903453922 584772636 /nfs/dbraw/zinc/77/26/36/584772636.db2.gz PLBYSFZHUFRPEF-MGPQQGTHSA-N 2 0 237.391 1.060 20 0 BDADRP CC[N@@H+]1C[C@H](C)N(C[C@H]2CCC[NH2+]2)C[C@H]1C ZINC000903454394 584773205 /nfs/dbraw/zinc/77/32/05/584773205.db2.gz BIMBVPSJVNRTKE-FRRDWIJNSA-N 2 0 225.380 1.153 20 0 BDADRP CC[NH+](CC)CCCN[C@H]1CC[NH2+]C12CCC2 ZINC000903472768 584776317 /nfs/dbraw/zinc/77/63/17/584776317.db2.gz WEHVKSKWDUBAIK-ZDUSSCGKSA-N 2 0 239.407 1.593 20 0 BDADRP [NH3+]Cc1ccc2c(c1)N(C[C@H]1CCC[NH2+]1)CCO2 ZINC000903474958 584776639 /nfs/dbraw/zinc/77/66/39/584776639.db2.gz WHWODDQULYODSJ-GFCCVEGCSA-N 2 0 247.342 1.096 20 0 BDADRP CC(C)[C@H]1CN(C[C@@H]2C[NH2+]C[C@H]2C)CC[N@@H+]1C ZINC000903476383 584777681 /nfs/dbraw/zinc/77/76/81/584777681.db2.gz VQUMSNAYJKILPL-HZSPNIEDSA-N 2 0 239.407 1.114 20 0 BDADRP C([C@H]1CCC[NH2+]1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903482027 584779110 /nfs/dbraw/zinc/77/91/10/584779110.db2.gz UUAXBQAAKMHSFW-ZIAGYGMSSA-N 2 0 237.391 1.204 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cccc(N)c2)C[C@H]1CC[NH3+] ZINC000903498764 584780046 /nfs/dbraw/zinc/78/00/46/584780046.db2.gz DGBSSEYRGUXIKB-DGCLKSJQSA-N 2 0 233.359 1.686 20 0 BDADRP C[C@@H]1C[N@H+](CCCCCCC[NH3+])C[C@H]1CC[NH3+] ZINC000903500036 584780054 /nfs/dbraw/zinc/78/00/54/584780054.db2.gz RMTUOCDYCWXSCR-ZIAGYGMSSA-N 3 0 241.423 1.812 20 0 BDADRP CC(C)(C)OC[C@H]1CCC[N@@H+]1CCOCC[NH3+] ZINC000903563548 584782233 /nfs/dbraw/zinc/78/22/33/584782233.db2.gz HLHPMLLOZBWZGM-GFCCVEGCSA-N 2 0 244.379 1.241 20 0 BDADRP CC1(C)C[N@H+](CCCCCCC[NH3+])C[C@@H]1N ZINC000903558884 584783237 /nfs/dbraw/zinc/78/32/37/584783237.db2.gz SIFYUUAGYFDJRH-LBPRGKRZSA-N 2 0 227.396 1.565 20 0 BDADRP C[NH2+]CCN(CC[C@H]1CCC[NH2+]C1)C(C)C ZINC000903572991 584784020 /nfs/dbraw/zinc/78/40/20/584784020.db2.gz KWJRYUZBBYTLIC-CYBMUJFWSA-N 2 0 227.396 1.306 20 0 BDADRP CC1CC[NH+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903717623 584792252 /nfs/dbraw/zinc/79/22/52/584792252.db2.gz BUCIIHIVALYODL-ZIAGYGMSSA-N 2 0 238.375 1.487 20 0 BDADRP CCCC[N@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903718117 584792301 /nfs/dbraw/zinc/79/23/01/584792301.db2.gz ZYISPAVFQAOBOA-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@](C[NH3+])(NC[C@@H]1CCCC[NH2+]C1)C1CC1 ZINC000903717292 584792392 /nfs/dbraw/zinc/79/23/92/584792392.db2.gz MPCSUVIZFFUPQA-DGCLKSJQSA-N 2 0 225.380 1.093 20 0 BDADRP C[N@H+](C[C@H]1CCCC[NH2+]C1)C1CCC([NH3+])CC1 ZINC000903717396 584792468 /nfs/dbraw/zinc/79/24/68/584792468.db2.gz QGHPRGYXDAQRPV-HSBZDZAISA-N 3 0 239.407 1.578 20 0 BDADRP CC1(C)CC[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903730835 584792832 /nfs/dbraw/zinc/79/28/32/584792832.db2.gz ZXGZBPFEPUEUPH-GXTWGEPZSA-N 2 0 238.375 1.487 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](CC2CC(C)C2)C1 ZINC000903712989 584793363 /nfs/dbraw/zinc/79/33/63/584793363.db2.gz CTWWRZKHXKLSIH-CPCZMJQVSA-N 2 0 210.365 1.964 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@H+](CC2CC(C)C2)C1 ZINC000903712991 584793826 /nfs/dbraw/zinc/79/38/26/584793826.db2.gz CTWWRZKHXKLSIH-OTTFEQOBSA-N 2 0 210.365 1.964 20 0 BDADRP CC1CC(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000903749539 584794714 /nfs/dbraw/zinc/79/47/14/584794714.db2.gz LHEYRXGKKMPJIP-RUXDESIVSA-N 2 0 237.391 1.012 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)CN1C[C@@H]1CCCC[NH2+]C1 ZINC000903752432 584795377 /nfs/dbraw/zinc/79/53/77/584795377.db2.gz NVSLYWLYIMTIPO-MGPQQGTHSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)CN1C[C@H]1CCCC[NH2+]C1 ZINC000903752430 584795746 /nfs/dbraw/zinc/79/57/46/584795746.db2.gz NVSLYWLYIMTIPO-MCIONIFRSA-N 2 0 239.407 1.401 20 0 BDADRP CC[C@@H]1CC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903734086 584796339 /nfs/dbraw/zinc/79/63/39/584796339.db2.gz UYLQLMWGOYOFDU-RDBSUJKOSA-N 2 0 238.375 1.487 20 0 BDADRP C([C@H]1CCCC[NH2+]C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000903741737 584796881 /nfs/dbraw/zinc/79/68/81/584796881.db2.gz SHSTVZJIDNGUDN-GXTWGEPZSA-N 2 0 237.391 1.202 20 0 BDADRP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000903767137 584798145 /nfs/dbraw/zinc/79/81/45/584798145.db2.gz UQPKHBWTWJKSOT-MQYQWHSLSA-N 2 0 236.359 1.097 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]C1)[C@@H]1CCCOC1 ZINC000903758514 584798583 /nfs/dbraw/zinc/79/85/83/584798583.db2.gz LQRIMCNUZKDSER-BFHYXJOUSA-N 2 0 240.391 1.781 20 0 BDADRP C[NH2+]CCC[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000903790378 584798736 /nfs/dbraw/zinc/79/87/36/584798736.db2.gz FIHXJAMVNSUYRK-UHFFFAOYSA-N 3 0 227.396 1.293 20 0 BDADRP CCN(C[C@@H]1CCCC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000903783844 584799997 /nfs/dbraw/zinc/79/99/97/584799997.db2.gz FJDRYIOUFVJTKN-OLZOCXBDSA-N 2 0 225.380 1.060 20 0 BDADRP C([C@H]1CC[NH2+]C1)[N@@H+]1CCCSC[C@H]1C1CC1 ZINC000903825959 584804489 /nfs/dbraw/zinc/80/44/89/584804489.db2.gz GFRCQFQMPJOGHP-AAEUAGOBSA-N 2 0 240.416 1.813 20 0 BDADRP C[C@H]1CSCCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000903829354 584805750 /nfs/dbraw/zinc/80/57/50/584805750.db2.gz DOHXCEPKLSUFAC-RYUDHWBXSA-N 2 0 228.405 1.813 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@H]2CC[C@]21C[NH3+] ZINC000903859814 584810899 /nfs/dbraw/zinc/81/08/99/584810899.db2.gz OTVMNKJWJUVDKG-KGLIPLIRSA-N 2 0 239.407 1.532 20 0 BDADRP OC[C@@H]1CC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000903888444 584813919 /nfs/dbraw/zinc/81/39/19/584813919.db2.gz CDOORBCKMIRLHM-GFCCVEGCSA-N 2 0 246.354 1.147 20 0 BDADRP COC[C@@H](C[N@@H+]1CCC[C@]12CC[NH2+]C2)C(C)C ZINC000903869273 584814619 /nfs/dbraw/zinc/81/46/19/584814619.db2.gz FTKWEVVAULZXBN-ZIAGYGMSSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903872730 584815273 /nfs/dbraw/zinc/81/52/73/584815273.db2.gz AYNBZVPKVQCFFW-FJCXZIGKSA-N 3 0 237.391 1.186 20 0 BDADRP Cc1cc(C[N@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000903884132 584818257 /nfs/dbraw/zinc/81/82/57/584818257.db2.gz SLSZMSVOTNFVPU-YHWZYXNKSA-N 2 0 249.358 1.945 20 0 BDADRP [NH3+]CC[C@H]1CCCN(C[C@@H]([NH3+])CC(F)F)C1 ZINC000903905376 584821291 /nfs/dbraw/zinc/82/12/91/584821291.db2.gz DDSLUXZEOVSUTI-ZJUUUORDSA-N 2 0 235.322 1.030 20 0 BDADRP C[N@H+](CCCCO)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903909306 584822098 /nfs/dbraw/zinc/82/20/98/584822098.db2.gz DSDXLPXVTJRGKI-YHWZYXNKSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](N)CC(F)F ZINC000903918609 584822346 /nfs/dbraw/zinc/82/23/46/584822346.db2.gz CQCGSQJZZWKEQF-BDAKNGLRSA-N 2 0 223.311 1.076 20 0 BDADRP CC[C@@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1O ZINC000903912207 584822706 /nfs/dbraw/zinc/82/27/06/584822706.db2.gz BNMFNYKFELLIAB-URSGVKGYSA-N 2 0 238.375 1.220 20 0 BDADRP C[C@@H](Cn1cccn1)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903923151 584823875 /nfs/dbraw/zinc/82/38/75/584823875.db2.gz MUPQIRQRNPUSBI-FUDCBSFHSA-N 2 0 248.374 1.392 20 0 BDADRP CC(C)([NH3+])CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000903939322 584825020 /nfs/dbraw/zinc/82/50/20/584825020.db2.gz FXMYSQRDVIPFCA-QJPTWQEYSA-N 3 0 225.380 1.092 20 0 BDADRP Cc1ccc2ncc(C[NH2+]CCC(C)(C)[NH3+])n2c1 ZINC000903938466 584826169 /nfs/dbraw/zinc/82/61/69/584826169.db2.gz BVQBMWNMQQQBPN-UHFFFAOYSA-N 2 0 246.358 1.860 20 0 BDADRP Cc1cccc2ncc(C[NH2+]CCC(C)(C)[NH3+])n21 ZINC000903938560 584826588 /nfs/dbraw/zinc/82/65/88/584826588.db2.gz GPHBITDWFHOFSO-UHFFFAOYSA-N 2 0 246.358 1.860 20 0 BDADRP CC(C)([NH3+])CNCc1cccc2c1CC[NH2+]C2 ZINC000903918144 584826798 /nfs/dbraw/zinc/82/67/98/584826798.db2.gz TUFWMQJHGSXUSJ-UHFFFAOYSA-N 2 0 233.359 1.159 20 0 BDADRP [NH3+][C@H](CC(F)F)CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000903916278 584826890 /nfs/dbraw/zinc/82/68/90/584826890.db2.gz GNIUNJRWSVKPQB-ZYHUDNBSSA-N 2 0 247.333 1.044 20 0 BDADRP C[C@@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)CN1 ZINC000903917955 584827052 /nfs/dbraw/zinc/82/70/52/584827052.db2.gz PFODJWTZDCXGRX-YJBUHQLJSA-N 2 0 237.391 1.199 20 0 BDADRP CCC1([NH3+])CCN([C@@H]2C[NH2+]C[C@@H](C)C2)CC1 ZINC000903947990 584829586 /nfs/dbraw/zinc/82/95/86/584829586.db2.gz KFWAXCZHRACIAY-RYUDHWBXSA-N 2 0 225.380 1.188 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000903955963 584832008 /nfs/dbraw/zinc/83/20/08/584832008.db2.gz DDTYMQYQDBCSMD-MXWKQRLJSA-N 2 0 247.333 1.091 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C1CCSCC1 ZINC000903974742 584832684 /nfs/dbraw/zinc/83/26/84/584832684.db2.gz RGAKKBYRFNAIPQ-GHMZBOCLSA-N 2 0 228.405 1.717 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCCSC1 ZINC000903966763 584834498 /nfs/dbraw/zinc/83/44/98/584834498.db2.gz BMSMZHFUEQICKR-OUAUKWLOSA-N 2 0 214.378 1.327 20 0 BDADRP COCC(C)(C)C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903967422 584835177 /nfs/dbraw/zinc/83/51/77/584835177.db2.gz JJVFNPDNZOYAIL-MNOVXSKESA-N 2 0 214.353 1.104 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCO[C@H]2C2CC2)CC[NH2+]1 ZINC000903986778 584835584 /nfs/dbraw/zinc/83/55/84/584835584.db2.gz RYDCMORXJFRICN-OXHZDVMGSA-N 2 0 238.375 1.532 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2C[C@H](N)C(C)(C)C2)CC[NH2+]1 ZINC000903987036 584835591 /nfs/dbraw/zinc/83/55/91/584835591.db2.gz XBBQLRXBOXQKLX-WOPDTQHZSA-N 2 0 225.380 1.044 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CN1CC[C@@H](C[NH3+])C1 ZINC000904300071 584860594 /nfs/dbraw/zinc/86/05/94/584860594.db2.gz VFTDNPRTEAQJMH-NWDGAFQWSA-N 2 0 227.396 1.421 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCCCN1Cc1ccc(C[NH3+])cc1 ZINC000904299487 584860658 /nfs/dbraw/zinc/86/06/58/584860658.db2.gz FQGOJEYBISLBHM-WFASDCNBSA-N 2 0 247.386 1.847 20 0 BDADRP CCCN(Cc1ccc(C[NH3+])cc1)[C@H]1CC[NH2+]C1 ZINC000904299849 584860668 /nfs/dbraw/zinc/86/06/68/584860668.db2.gz PRYODJNIBVKJKB-HNNXBMFYSA-N 2 0 247.386 1.719 20 0 BDADRP [NH3+]Cc1ccc(CN2CCC[C@H]([NH3+])C2)cc1 ZINC000904299840 584860832 /nfs/dbraw/zinc/86/08/32/584860832.db2.gz PMGSHGOFXOYTMB-ZDUSSCGKSA-N 2 0 219.332 1.068 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC000904299708 584860901 /nfs/dbraw/zinc/86/09/01/584860901.db2.gz MDDHFADAUOGDAY-WFASDCNBSA-N 3 0 247.386 1.705 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CN1CCC[C@H](C[NH3+])C1 ZINC000904300024 584860926 /nfs/dbraw/zinc/86/09/26/584860926.db2.gz UNVURRBJWGVIFW-CHWSQXEVSA-N 2 0 241.423 1.811 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCN(C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904300827 584861346 /nfs/dbraw/zinc/86/13/46/584861346.db2.gz BURZKLFXYDKOCF-AVGNSLFASA-N 2 0 225.380 1.045 20 0 BDADRP Cn1cccc1[C@@H]1CCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904303738 584862178 /nfs/dbraw/zinc/86/21/78/584862178.db2.gz FNZPQWABDYDEPZ-SCRDCRAPSA-N 2 0 233.359 1.899 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCCC[C@H]2c2ncc[nH]2)C1 ZINC000904315987 584862655 /nfs/dbraw/zinc/86/26/55/584862655.db2.gz HVKVHQMBFPLALB-TUAOUCFPSA-N 2 0 234.347 1.674 20 0 BDADRP C[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904311867 584862735 /nfs/dbraw/zinc/86/27/35/584862735.db2.gz JJVREEKKBMRNFL-YUELXQCFSA-N 2 0 248.370 1.607 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@H]2CN2CCCC2)C1 ZINC000904313876 584863526 /nfs/dbraw/zinc/86/35/26/584863526.db2.gz MJZFEOMUBBNGDX-MJBXVCDLSA-N 2 0 237.391 1.284 20 0 BDADRP CC(C)(C)C[N@H+](CCO)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904318887 584863977 /nfs/dbraw/zinc/86/39/77/584863977.db2.gz YTQFBCJJIJZMCV-PHIMTYICSA-N 2 0 214.353 1.064 20 0 BDADRP CCOC[C@@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904321824 584864612 /nfs/dbraw/zinc/86/46/12/584864612.db2.gz HMEBNCMIXVOEAI-UPJWGTAASA-N 2 0 226.364 1.472 20 0 BDADRP C[C@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1n1ccnc1 ZINC000904327957 584865280 /nfs/dbraw/zinc/86/52/80/584865280.db2.gz JZQQUUAIOHJIHO-IGQOVBAYSA-N 2 0 248.374 1.503 20 0 BDADRP Cn1cc(C[C@H]2CC[N@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)cn1 ZINC000904326352 584865498 /nfs/dbraw/zinc/86/54/98/584865498.db2.gz HLIJQCLOTUKSIP-BZPMIXESSA-N 2 0 248.374 1.022 20 0 BDADRP C[C@H](O)[C@H]1CC[N@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904332576 584865758 /nfs/dbraw/zinc/86/57/58/584865758.db2.gz RXDDVOLJUBRIDT-RWMBFGLXSA-N 2 0 226.364 1.079 20 0 BDADRP C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C[C@@H]1CCCC[C@H]1O ZINC000904328566 584866159 /nfs/dbraw/zinc/86/61/59/584866159.db2.gz GXHDIDZPQFNPIG-WUHRBBMRSA-N 2 0 226.364 1.207 20 0 BDADRP C[C@@H](c1cccnc1)[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904330749 584866247 /nfs/dbraw/zinc/86/62/47/584866247.db2.gz BHQCWPGBTOXVQQ-GMXVVIOVSA-N 2 0 219.332 1.812 20 0 BDADRP CCN1C[C@@H](C)[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1C ZINC000904340718 584866384 /nfs/dbraw/zinc/86/63/84/584866384.db2.gz LBRPMFXUJSDWOR-QNWHQSFQSA-N 2 0 225.380 1.138 20 0 BDADRP C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C1Cc2ccccc2C1 ZINC000904335928 584866425 /nfs/dbraw/zinc/86/64/25/584866425.db2.gz JRMNZVQJILAOCM-VDISTLRHSA-N 2 0 230.355 1.823 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CN1CCC(C)([NH3+])CC1 ZINC000904334461 584866752 /nfs/dbraw/zinc/86/67/52/584866752.db2.gz WQCHRXKETSHQMS-GFCCVEGCSA-N 2 0 241.423 1.953 20 0 BDADRP CC(C)[C@H]1CN(Cc2ccc(C[NH3+])cc2)CC[NH2+]1 ZINC000904333464 584866857 /nfs/dbraw/zinc/86/68/57/584866857.db2.gz AAOATDNHDKHZMF-OAHLLOKOSA-N 2 0 247.386 1.575 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1C ZINC000904340916 584867409 /nfs/dbraw/zinc/86/74/09/584867409.db2.gz NVXSRQIGLXFUIF-IGQOVBAYSA-N 3 0 239.407 1.528 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCOCC3(CCC3)C2)C1 ZINC000904346550 584868506 /nfs/dbraw/zinc/86/85/06/584868506.db2.gz TVZLIDDNMRPKTL-TXEJJXNPSA-N 2 0 224.348 1.226 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC2CC(C[NH3+])C2)cc1 ZINC000904350450 584868859 /nfs/dbraw/zinc/86/88/59/584868859.db2.gz LRKNADYMXCZEAS-TTXORMCVSA-N 2 0 219.332 1.856 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)C1 ZINC000904350503 584868816 /nfs/dbraw/zinc/86/88/16/584868816.db2.gz NKSUELOLIBTYFN-MQYQWHSLSA-N 3 0 237.391 1.045 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CN[C@H](C[NH3+])C1CC1 ZINC000904350436 584868856 /nfs/dbraw/zinc/86/88/56/584868856.db2.gz LIBBOPCIMTVQHF-VXGBXAGGSA-N 2 0 227.396 1.467 20 0 BDADRP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH3+])cc1 ZINC000904351418 584869283 /nfs/dbraw/zinc/86/92/83/584869283.db2.gz YBVMZIVWWGECTP-OAHLLOKOSA-N 3 0 247.386 1.849 20 0 BDADRP CN(C[C@H]([NH3+])CCC(C)(C)C)C1(C[NH3+])CCC1 ZINC000904351115 584869454 /nfs/dbraw/zinc/86/94/54/584869454.db2.gz VFDPQFVCIUYQJP-GFCCVEGCSA-N 2 0 241.423 1.953 20 0 BDADRP CC(C)C[C@@H](C[NH3+])NCc1ccc(C[NH3+])cc1 ZINC000904352771 584869921 /nfs/dbraw/zinc/86/99/21/584869921.db2.gz AEGKTXPKQHKHCG-AWEZNQCLSA-N 2 0 235.375 1.608 20 0 BDADRP CC1([NH2+]Cc2ccc(C[NH3+])cc2)CC[NH2+]CC1 ZINC000904354538 584870364 /nfs/dbraw/zinc/87/03/64/584870364.db2.gz BTVDMABOKDYSPA-UHFFFAOYSA-N 3 0 233.359 1.377 20 0 BDADRP C[C@@]1(C[NH2+]CCC[C@H]2CCC[NH2+]2)CCC[NH2+]C1 ZINC000904354206 584870542 /nfs/dbraw/zinc/87/05/42/584870542.db2.gz CXFXUVCKNSQMQL-KBPBESRZSA-N 3 0 239.407 1.498 20 0 BDADRP [NH3+]CC[C@H](NCc1ccc(C[NH3+])cc1)C(F)F ZINC000904354660 584870751 /nfs/dbraw/zinc/87/07/51/584870751.db2.gz IOCHRHJVKWFKHM-NSHDSACASA-N 2 0 243.301 1.217 20 0 BDADRP c1cn(C2CC2)c(C[NH2+]CCC[C@@H]2CCC[NH2+]2)n1 ZINC000904355039 584870959 /nfs/dbraw/zinc/87/09/59/584870959.db2.gz MAWUCMGMYHOACS-GFCCVEGCSA-N 2 0 248.374 1.840 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904355476 584871203 /nfs/dbraw/zinc/87/12/03/584871203.db2.gz ODQFXRSJFKURAQ-RISCZKNCSA-N 3 0 233.359 1.233 20 0 BDADRP Nc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904356123 584871266 /nfs/dbraw/zinc/87/12/66/584871266.db2.gz UVWCLESXDAKHEQ-RIEGTJTDSA-N 2 0 245.370 1.973 20 0 BDADRP C[C@H](COCC(F)(F)F)[NH2+]C1CC(C[NH3+])C1 ZINC000904362051 584872042 /nfs/dbraw/zinc/87/20/42/584872042.db2.gz GSVRPOUGORDEHQ-AFPNSQJFSA-N 2 0 240.269 1.281 20 0 BDADRP NC[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)C1CCCC1 ZINC000904359018 584871685 /nfs/dbraw/zinc/87/16/85/584871685.db2.gz WALULMGLSLCLTF-OAHLLOKOSA-N 2 0 247.386 1.752 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+]CCC[NH2+]C2CC2)cc1 ZINC000904359066 584871713 /nfs/dbraw/zinc/87/17/13/584871713.db2.gz XYMYGWXFRUGSPP-UHFFFAOYSA-N 3 0 233.359 1.377 20 0 BDADRP Cc1nn(C)cc1[C@H](C)[NH2+]C1CC(C[NH3+])C1 ZINC000904368246 584872516 /nfs/dbraw/zinc/87/25/16/584872516.db2.gz OXKPVOYHTHMEDR-PUSIOWJLSA-N 2 0 222.336 1.116 20 0 BDADRP COCCC[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000904367981 584872810 /nfs/dbraw/zinc/87/28/10/584872810.db2.gz LVVMDAZBVMVDSV-LLVKDONJSA-N 2 0 200.326 1.002 20 0 BDADRP C[C@H]1CC[N@H+](Cc2ccc(C[NH3+])cc2)C[C@H]1C[NH3+] ZINC000904372220 584873107 /nfs/dbraw/zinc/87/31/07/584873107.db2.gz ZSSIOLDTMIPQMQ-SWLSCSKDSA-N 3 0 247.386 1.562 20 0 BDADRP C[C@@]1(C[NH2+]CCc2ccccn2)CCC[NH2+]C1 ZINC000904369142 584873300 /nfs/dbraw/zinc/87/33/00/584873300.db2.gz ZFPOFHUFLMHPPH-CQSZACIVSA-N 2 0 233.359 1.603 20 0 BDADRP COC(=O)C(C)(C)C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000904369123 584873463 /nfs/dbraw/zinc/87/34/63/584873463.db2.gz YPRUHVUPDRRQJL-ZDUSSCGKSA-N 2 0 242.363 1.165 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCNC[C@H]2c2ccccc2)C1 ZINC000904371678 584873473 /nfs/dbraw/zinc/87/34/73/584873473.db2.gz QVCUMFFZMGSYIT-CFVMTHIKSA-N 2 0 245.370 1.370 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1C[NH3+] ZINC000904373552 584873997 /nfs/dbraw/zinc/87/39/97/584873997.db2.gz SYNLNTRVAVDNEE-MLGHIDQZSA-N 3 0 225.380 1.029 20 0 BDADRP [NH3+]CC1CC([NH2+]Cc2ccc(F)cc2F)C1 ZINC000904364208 584874209 /nfs/dbraw/zinc/87/42/09/584874209.db2.gz UJZUWXQKRRSTEP-UHFFFAOYSA-N 2 0 226.270 1.792 20 0 BDADRP [NH3+]CC1CC([NH2+]Cc2cccc(F)c2)C1 ZINC000904363550 584874216 /nfs/dbraw/zinc/87/42/16/584874216.db2.gz ILGJLALAYPLUHX-UHFFFAOYSA-N 2 0 208.280 1.653 20 0 BDADRP CCC(CC)[C@@H](O)C[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904363143 584874235 /nfs/dbraw/zinc/87/42/35/584874235.db2.gz CFINTHGJNOXMSS-WCQGTBRESA-N 2 0 214.353 1.110 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])C[NH2+]C[C@@H]1CCCO1 ZINC000904363950 584874400 /nfs/dbraw/zinc/87/44/00/584874400.db2.gz GNGDRWKUALLLDJ-NEPJUHHUSA-N 2 0 228.380 1.909 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])C[NH2+]C[C@H]1CCCO1 ZINC000904363954 584874467 /nfs/dbraw/zinc/87/44/67/584874467.db2.gz GNGDRWKUALLLDJ-VXGBXAGGSA-N 2 0 228.380 1.909 20 0 BDADRP CC1(C[NH2+]C2CCN(CC[NH3+])CC2)CCC1 ZINC000904366614 584875017 /nfs/dbraw/zinc/87/50/17/584875017.db2.gz MYFXEHTYMKWCAV-UHFFFAOYSA-N 2 0 225.380 1.189 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])C[NH2+]CCC1(C[NH3+])CC1 ZINC000904375891 584875575 /nfs/dbraw/zinc/87/55/75/584875575.db2.gz JROVKGTTZCMMRG-GFCCVEGCSA-N 3 0 241.423 1.859 20 0 BDADRP Nc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC(C[NH3+])C1 ZINC000904377086 584876159 /nfs/dbraw/zinc/87/61/59/584876159.db2.gz JLEFEKPKNDEQFY-ASYNLNLVSA-N 2 0 231.343 1.583 20 0 BDADRP C[C@H](Cc1ccccn1)[NH2+]C1CC(C[NH3+])C1 ZINC000904376072 584876359 /nfs/dbraw/zinc/87/63/59/584876359.db2.gz LPYPTZTVMHCLAF-XSRFYTQQSA-N 2 0 219.332 1.340 20 0 BDADRP C[NH2+]C[C@@H](C)NC[C@H]([NH3+])CCC(C)(C)C ZINC000904379981 584876729 /nfs/dbraw/zinc/87/67/29/584876729.db2.gz YUYMBUKLOPFXFA-GHMZBOCLSA-N 2 0 215.385 1.338 20 0 BDADRP CN1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)Cc2cccnc21 ZINC000904383825 584877079 /nfs/dbraw/zinc/87/70/79/584877079.db2.gz FFWNQDVWKXPGPY-BJHJDKERSA-N 2 0 246.358 1.071 20 0 BDADRP Cc1ncccc1C[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904381578 584877181 /nfs/dbraw/zinc/87/71/81/584877181.db2.gz YWKFKEWSXGCGBM-KLPPZKSPSA-N 2 0 205.305 1.217 20 0 BDADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904385483 584877687 /nfs/dbraw/zinc/87/76/87/584877687.db2.gz ZDPHAKPJPNITJW-MBNYWOFBSA-N 3 0 239.407 1.421 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CNCCC(C)(C)[NH3+] ZINC000904386102 584877691 /nfs/dbraw/zinc/87/76/91/584877691.db2.gz PAKUQGOTQKEWPG-NSHDSACASA-N 2 0 229.412 1.857 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](CC[NH3+])C2)CC[NH2+]1 ZINC000904407106 584878390 /nfs/dbraw/zinc/87/83/90/584878390.db2.gz NITMXAUTXWEEQC-FRRDWIJNSA-N 3 0 225.380 1.045 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccc(C[NH3+])cc2)C[C@H]1CC[NH3+] ZINC000904388201 584878401 /nfs/dbraw/zinc/87/84/01/584878401.db2.gz GEXSGPZSKFVZHV-IUODEOHRSA-N 3 0 247.386 1.562 20 0 BDADRP Cn1ccc(C[N@@H+]2CC[C@H](CC[NH3+])C2)c1 ZINC000904407093 584878409 /nfs/dbraw/zinc/87/84/09/584878409.db2.gz NFZDDIYYZJNECI-NSHDSACASA-N 2 0 207.321 1.196 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccc(N)nc2)CC[C@H]1C[NH3+] ZINC000904410551 584878895 /nfs/dbraw/zinc/87/88/95/584878895.db2.gz HJZBBNQLASQRGS-JQWIXIFHSA-N 2 0 234.347 1.081 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCSC2)CC[C@@H]1C[NH3+] ZINC000904410923 584879207 /nfs/dbraw/zinc/87/92/07/584879207.db2.gz RSKDDXOKMPUQJV-GRYCIOLGSA-N 2 0 228.405 1.656 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)CC[NH2+]1 ZINC000904410233 584879211 /nfs/dbraw/zinc/87/92/11/584879211.db2.gz MUUJLJBOKGZTPL-DGAVXFQQSA-N 3 0 239.407 1.291 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccc(C[NH3+])cc2)CC[C@H]1C[NH3+] ZINC000904410917 584879383 /nfs/dbraw/zinc/87/93/83/584879383.db2.gz RSEHBIOTRIALNU-DOMZBBRYSA-N 3 0 247.386 1.562 20 0 BDADRP C[C@H]1C[N@H+](Cc2cncs2)CC[C@@H]1C[NH3+] ZINC000904412570 584879819 /nfs/dbraw/zinc/87/98/19/584879819.db2.gz WMYBOELXWBZKAJ-VHSXEESVSA-N 2 0 225.361 1.560 20 0 BDADRP Cc1ccsc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000904398405 584880577 /nfs/dbraw/zinc/88/05/77/584880577.db2.gz OSFMUHMOUHMWHP-UHFFFAOYSA-N 2 0 239.388 1.051 20 0 BDADRP C[C@@H]1CCN[C@H](C)[C@H]1[NH2+]CCCCCCC[NH3+] ZINC000842476777 584897835 /nfs/dbraw/zinc/89/78/35/584897835.db2.gz VKKKLURAHUVXHN-MCIONIFRSA-N 2 0 241.423 1.872 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@H+](CCCCCCCO)C1 ZINC000743847422 585140864 /nfs/dbraw/zinc/14/08/64/585140864.db2.gz CHDVMPHPFSSBPK-AWEZNQCLSA-N 2 0 242.407 1.813 20 0 BDADRP C[C@@H](CCO)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000760896523 585401538 /nfs/dbraw/zinc/40/15/38/585401538.db2.gz GCPGJXLXKFNEOG-LBPRGKRZSA-N 2 0 228.380 1.469 20 0 BDADRP C[C@@H]1CCC[N@@H+]1CCN[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000766271874 585500296 /nfs/dbraw/zinc/50/02/96/585500296.db2.gz GTDXRIDGWBNNEH-MCIONIFRSA-N 2 0 239.407 1.543 20 0 BDADRP O=C(CC[N@@H+]1CCC[C@H](n2ccnc2)C1)C1CC1 ZINC000767371369 585518198 /nfs/dbraw/zinc/51/81/98/585518198.db2.gz VVFBIKVBQJBCMP-ZDUSSCGKSA-N 2 0 247.342 1.889 20 0 BDADRP CC(C)C([NH2+]C[C@@H](O)C[NH+]1CCCC1)C(C)C ZINC000776028773 585689601 /nfs/dbraw/zinc/68/96/01/585689601.db2.gz WRADVVUQTPIEKJ-CYBMUJFWSA-N 2 0 242.407 1.713 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@H](C)CCO ZINC000779337765 585751552 /nfs/dbraw/zinc/75/15/52/585751552.db2.gz DHQOKAMUNBJTRZ-NSHDSACASA-N 2 0 202.342 1.079 20 0 BDADRP COCCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2C)CC1 ZINC000783235743 585831656 /nfs/dbraw/zinc/83/16/56/585831656.db2.gz BRFOEFNNUSUALA-GXTWGEPZSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]1C[N@H+](CC2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000788471070 585925198 /nfs/dbraw/zinc/92/51/98/585925198.db2.gz SSKLKAVAPQUZJZ-RYUDHWBXSA-N 2 0 226.364 1.437 20 0 BDADRP CC[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000795118122 586068669 /nfs/dbraw/zinc/06/86/69/586068669.db2.gz ZXTFSQIWYMOOPD-LLVKDONJSA-N 2 0 205.305 1.612 20 0 BDADRP C[NH+](C)Cc1ccc(C[N@H+](C)CCCO)cc1 ZINC000799739015 586195579 /nfs/dbraw/zinc/19/55/79/586195579.db2.gz GXDDHHZXJHJDNR-UHFFFAOYSA-N 2 0 236.359 1.562 20 0 BDADRP CC[N@H+](CCC[NH+](C)C)C[C@@H]1CCC=CO1 ZINC000809750407 586516920 /nfs/dbraw/zinc/51/69/20/586516920.db2.gz UUJWINRZADHKBW-ZDUSSCGKSA-N 2 0 226.364 1.953 20 0 BDADRP Cc1ccc([C@H](O)C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000817892206 586832891 /nfs/dbraw/zinc/83/28/91/586832891.db2.gz KHCJXEGVNGCJLB-QLFBSQMISA-N 2 0 248.370 1.745 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCOc1cccnc1 ZINC000817892227 586833423 /nfs/dbraw/zinc/83/34/23/586833423.db2.gz LDFDZLAYXKJPIG-GFCCVEGCSA-N 2 0 237.347 1.568 20 0 BDADRP C[C@H](O)c1ccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000817894154 586833531 /nfs/dbraw/zinc/83/35/31/586833531.db2.gz KFJUSPMIDRLKEO-GLQYFDAESA-N 2 0 248.370 1.957 20 0 BDADRP Cc1cccc([C@@H](O)C[NH2+][C@H](C)C2C[NH2+]C2)c1 ZINC000817910778 586837309 /nfs/dbraw/zinc/83/73/09/586837309.db2.gz XQQGZSBFUCDUIH-RISCZKNCSA-N 2 0 234.343 1.226 20 0 BDADRP C[C@@H]1CCC[N@@H+]1CCN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000817911428 586838423 /nfs/dbraw/zinc/83/84/23/586838423.db2.gz AHFBMIXKWBTMEG-JHJVBQTASA-N 2 0 225.380 1.188 20 0 BDADRP Cc1ncc(CC[NH2+][C@@H](C)C[C@@H](C)[NH3+])s1 ZINC000817915039 586838951 /nfs/dbraw/zinc/83/89/51/586838951.db2.gz GYTRRKALRHHIOW-BDAKNGLRSA-N 2 0 227.377 1.709 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(F)n1 ZINC000817916902 586839997 /nfs/dbraw/zinc/83/99/97/586839997.db2.gz JPTOPFFAILMAMX-PWSUYJOCSA-N 2 0 237.322 1.828 20 0 BDADRP CC1(CC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])OCCO1 ZINC000817922896 586840498 /nfs/dbraw/zinc/84/04/98/586840498.db2.gz OCRKEYYIBKWEPR-NWDGAFQWSA-N 2 0 242.363 1.389 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(F)n1 ZINC000817918937 586840712 /nfs/dbraw/zinc/84/07/12/586840712.db2.gz ZSGYROMHFTYVTF-ONGXEEELSA-N 2 0 223.295 1.438 20 0 BDADRP C[C@H](CSC(C)(C)C)[NH2+]CCC[NH3+] ZINC000817938099 586844034 /nfs/dbraw/zinc/84/40/34/586844034.db2.gz DLNCZDNMKRNBKM-SECBINFHSA-N 2 0 204.383 1.845 20 0 BDADRP c1[nH]nc2c1[C@@H]([NH2+]CC1CC[NH2+]CC1)CCC2 ZINC000817941241 586845309 /nfs/dbraw/zinc/84/53/09/586845309.db2.gz OHIDQWNLQSIFQQ-LBPRGKRZSA-N 2 0 234.347 1.376 20 0 BDADRP C[C@H](NCc1ccc(CC[NH3+])cc1)[C@H]1CCC[NH2+]1 ZINC000817947562 586846915 /nfs/dbraw/zinc/84/69/15/586846915.db2.gz ATDCCDFTDDRXNR-SWLSCSKDSA-N 2 0 247.386 1.418 20 0 BDADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)C2CC2)C1 ZINC000818984905 586919245 /nfs/dbraw/zinc/91/92/45/586919245.db2.gz MUABTTZSSVDASO-TZMCWYRMSA-N 2 0 240.391 1.467 20 0 BDADRP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)C2CC2)CC1 ZINC000818990924 586919952 /nfs/dbraw/zinc/91/99/52/586919952.db2.gz SOUGCZJXJCONJT-CQSZACIVSA-N 2 0 240.391 1.469 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)C2CC2)C1 ZINC000818981217 586920150 /nfs/dbraw/zinc/92/01/50/586920150.db2.gz STIIILNIMOIQIB-DGCLKSJQSA-N 2 0 226.364 1.079 20 0 BDADRP C[NH+](C)CC[C@H]([NH2+]C[C@@H](O)C1CC1)C(C)(C)C ZINC000819083220 586929628 /nfs/dbraw/zinc/92/96/28/586929628.db2.gz YDVCYNMJHGNFTR-OLZOCXBDSA-N 2 0 242.407 1.713 20 0 BDADRP C[C@@H](CO)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000820812301 587074368 /nfs/dbraw/zinc/07/43/68/587074368.db2.gz HZVXFQOGAMPGCW-RYUDHWBXSA-N 2 0 236.359 1.780 20 0 BDADRP CC(C)[C@H]1C[N@H+](C)CCN1CC[NH+]1CCCC1 ZINC000823184285 587207172 /nfs/dbraw/zinc/20/71/72/587207172.db2.gz CSQGPBYNYWNEIT-CQSZACIVSA-N 2 0 239.407 1.354 20 0 BDADRP CC[C@H]1C[N@H+](C)CCN1CC[NH+]1CCCC1 ZINC000823199979 587208179 /nfs/dbraw/zinc/20/81/79/587208179.db2.gz LOWIUDUJBNGUHP-ZDUSSCGKSA-N 2 0 225.380 1.108 20 0 BDADRP CC(C)(C)[NH2+]CCNC(=O)CCCCC[NH3+] ZINC000830178393 587540188 /nfs/dbraw/zinc/54/01/88/587540188.db2.gz YIKGHSFFMHZOQP-UHFFFAOYSA-N 2 0 229.368 1.010 20 0 BDADRP [NH3+]Cc1cccc(NC(=O)C[C@H]([NH3+])C2CC2)c1 ZINC000832223801 587651624 /nfs/dbraw/zinc/65/16/24/587651624.db2.gz WDWNIBAUYQZTPW-LBPRGKRZSA-N 2 0 233.315 1.211 20 0 BDADRP CCCCCC[N@H+](C)CC(=O)NC[C@H](C)C[NH3+] ZINC000834340779 587752571 /nfs/dbraw/zinc/75/25/71/587752571.db2.gz CMKKPNVPKOZSTK-GFCCVEGCSA-N 2 0 243.395 1.210 20 0 BDADRP CC[C@H]1CN(C(=O)CCCCC[NH3+])CC[C@@H]1[NH3+] ZINC000834646215 587762673 /nfs/dbraw/zinc/76/26/73/587762673.db2.gz AQNOPRPRZUPUAK-RYUDHWBXSA-N 2 0 241.379 1.091 20 0 BDADRP C[NH2+]CCC[NH2+]Cc1cncc2ccccc21 ZINC000841043115 587939421 /nfs/dbraw/zinc/93/94/21/587939421.db2.gz RBKIZAIYAKUQQF-UHFFFAOYSA-N 2 0 229.327 1.934 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]Cc1cncc2ccccc21 ZINC000841049674 587940084 /nfs/dbraw/zinc/94/00/84/587940084.db2.gz VDWBOUZRWXRNSU-NSHDSACASA-N 2 0 229.327 1.919 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)C[C@H]([NH3+])C2CC2)cc1 ZINC000841853265 587978297 /nfs/dbraw/zinc/97/82/97/587978297.db2.gz ZFJWKFNHNCMMSM-ZDUSSCGKSA-N 2 0 247.342 1.472 20 0 BDADRP C[C@@H]1C[N@H+](CCCCCCC[NH3+])[C@@H](C)CN1 ZINC000842473911 588029395 /nfs/dbraw/zinc/02/93/95/588029395.db2.gz RZFMULWJROFSMV-OLZOCXBDSA-N 2 0 227.396 1.578 20 0 BDADRP C[C@H](NC1CC1)c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000842644114 588048000 /nfs/dbraw/zinc/04/80/00/588048000.db2.gz QNSOLYMHRKGEOU-CBAPKCEASA-N 2 0 222.292 1.307 20 0 BDADRP C[NH2+]CCC1CCN(C[C@@H]2CCC[NH2+]2)CC1 ZINC000843057714 588077806 /nfs/dbraw/zinc/07/78/06/588077806.db2.gz ROXUQMOVVSYDAT-ZDUSSCGKSA-N 2 0 225.380 1.060 20 0 BDADRP CCOc1cccc(C[NH2+]C2CCC([NH3+])CC2)n1 ZINC000843104532 588081794 /nfs/dbraw/zinc/08/17/94/588081794.db2.gz LJCVFJACJKISFH-UHFFFAOYSA-N 2 0 249.358 1.840 20 0 BDADRP [NH3+]CCCCCC[NH2+]CC[C@H]1CCOC1 ZINC000843127619 588082256 /nfs/dbraw/zinc/08/22/56/588082256.db2.gz FFMOJLMVHRUNJH-LBPRGKRZSA-N 2 0 214.353 1.522 20 0 BDADRP C[NH2+]Cc1ccccc1NC(=O)C[C@H]([NH3+])C1CC1 ZINC000843308289 588098956 /nfs/dbraw/zinc/09/89/56/588098956.db2.gz XBGWVOICLRIGJB-LBPRGKRZSA-N 2 0 247.342 1.472 20 0 BDADRP OCC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000843340115 588100966 /nfs/dbraw/zinc/10/09/66/588100966.db2.gz IHNZYKNFTKEGGL-DGAVXFQQSA-N 2 0 238.375 1.125 20 0 BDADRP OCC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000843340132 588101004 /nfs/dbraw/zinc/10/10/04/588101004.db2.gz IHNZYKNFTKEGGL-FQUUOJAGSA-N 2 0 238.375 1.125 20 0 BDADRP C[C@H]([NH2+]CCCCCC[NH3+])C1CCOCC1 ZINC000843342434 588101259 /nfs/dbraw/zinc/10/12/59/588101259.db2.gz QPWFZYNMMCWEHI-LBPRGKRZSA-N 2 0 228.380 1.910 20 0 BDADRP [NH3+]CCCCCC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000843344054 588101580 /nfs/dbraw/zinc/10/15/80/588101580.db2.gz OHKSZWIFCFWDCJ-RYUDHWBXSA-N 3 0 213.369 1.223 20 0 BDADRP C[C@@H]([NH2+]CCCCCC[NH3+])[C@@H]1CCCO1 ZINC000843342728 588101586 /nfs/dbraw/zinc/10/15/86/588101586.db2.gz SRSPKCZFCNBOQM-NEPJUHHUSA-N 2 0 214.353 1.663 20 0 BDADRP OCCCCCC[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000843345321 588102159 /nfs/dbraw/zinc/10/21/59/588102159.db2.gz AFOXNPMQMKXTOT-UHFFFAOYSA-N 2 0 240.391 1.756 20 0 BDADRP C[NH2+][C@H]1CCCN(CCCCCCC[NH3+])C1 ZINC000843348713 588102472 /nfs/dbraw/zinc/10/24/72/588102472.db2.gz NROXZNUWRJCSDK-ZDUSSCGKSA-N 2 0 227.396 1.579 20 0 BDADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)C1CCC([NH3+])CC1 ZINC000843355678 588103403 /nfs/dbraw/zinc/10/34/03/588103403.db2.gz SXZUGHHDPJBJJC-IYXRBSQSSA-N 3 0 239.407 1.578 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCCCCCC[NH3+])C1 ZINC000843364526 588104432 /nfs/dbraw/zinc/10/44/32/588104432.db2.gz LMYAGVVSKFQNJB-CHWSQXEVSA-N 3 0 227.396 1.565 20 0 BDADRP [NH3+]CCCCCCCN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000843361712 588104489 /nfs/dbraw/zinc/10/44/89/588104489.db2.gz OPIVFCAWLBNHOV-CQSZACIVSA-N 2 0 239.407 1.722 20 0 BDADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC[C@H]1CC[NH2+]C1 ZINC000843360233 588104655 /nfs/dbraw/zinc/10/46/55/588104655.db2.gz IEYDTBFRQWNBGT-RLAWYHOSSA-N 3 0 237.391 1.330 20 0 BDADRP CC[C@H]1C[N@H+](CCCCCCC[NH3+])CC[C@@H]1[NH3+] ZINC000843378079 588105913 /nfs/dbraw/zinc/10/59/13/588105913.db2.gz ZBQDXGJVARFLTL-KBPBESRZSA-N 3 0 241.423 1.955 20 0 BDADRP CC(C)(CC[NH3+])NC(=O)CCCCCC[NH3+] ZINC000843501117 588116526 /nfs/dbraw/zinc/11/65/26/588116526.db2.gz DPYHBGUQEQXDKX-UHFFFAOYSA-N 2 0 229.368 1.139 20 0 BDADRP [NH3+]CCCCCCC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000843504254 588117430 /nfs/dbraw/zinc/11/74/30/588117430.db2.gz DRELLTDNCDELAD-VXGBXAGGSA-N 2 0 241.379 1.282 20 0 BDADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCCCCC[NH3+] ZINC000843511721 588117585 /nfs/dbraw/zinc/11/75/85/588117585.db2.gz JDGPWCJPVJCZGW-NWDGAFQWSA-N 2 0 241.379 1.010 20 0 BDADRP C[C@H](CC(=O)OCCn1ccnc1)n1ccnc1 ZINC000845282021 588225322 /nfs/dbraw/zinc/22/53/22/588225322.db2.gz LBBUAMZCZVVYAZ-LLVKDONJSA-N 2 0 248.286 1.274 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000846220727 588260070 /nfs/dbraw/zinc/26/00/70/588260070.db2.gz OESUAGRDWREXLZ-LBPRGKRZSA-N 2 0 237.351 1.044 20 0 BDADRP C[C@@H](CO)C1CC[NH+](CCCCCC[NH3+])CC1 ZINC000846225104 588260097 /nfs/dbraw/zinc/26/00/97/588260097.db2.gz ITAWXZQHRDIQHT-ZDUSSCGKSA-N 2 0 242.407 1.846 20 0 BDADRP C[NH2+]C[C@@H]1CCCN1CCCCCC[NH3+] ZINC000846217693 588260307 /nfs/dbraw/zinc/26/03/07/588260307.db2.gz MBFKBOITGVYJKN-LBPRGKRZSA-N 3 0 213.369 1.189 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCCCCC[NH3+])C1 ZINC000846217967 588260338 /nfs/dbraw/zinc/26/03/38/588260338.db2.gz PPGDIKDSEQDOLZ-QWHCGFSZSA-N 2 0 227.396 1.565 20 0 BDADRP CC[C@@H]1C[N@H+](CCCCCC[NH3+])CC[C@H]1[NH3+] ZINC000846220806 588261173 /nfs/dbraw/zinc/26/11/73/588261173.db2.gz VFBBNUKNPVROSP-CHWSQXEVSA-N 2 0 227.396 1.565 20 0 BDADRP [NH3+]CCCCCCN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000846221123 588261218 /nfs/dbraw/zinc/26/12/18/588261218.db2.gz SUDDXSUDPZQCSN-QWHCGFSZSA-N 2 0 225.380 1.189 20 0 BDADRP CC[C@@H]1C[N@H+](CCCCCC[NH3+])CC[C@@H]1[NH3+] ZINC000846220807 588261485 /nfs/dbraw/zinc/26/14/85/588261485.db2.gz VFBBNUKNPVROSP-OLZOCXBDSA-N 2 0 227.396 1.565 20 0 BDADRP Cl/C=C\CN1CCC2(CC[NH2+]2)CC1 ZINC000846223740 588261572 /nfs/dbraw/zinc/26/15/72/588261572.db2.gz NELBQXRVSGJNFF-KTAJNNJTSA-N 2 0 200.713 1.567 20 0 BDADRP C[C@@H]1CC[N@H+](CCCCCC[NH3+])C[C@H]1C[NH3+] ZINC000846223047 588261601 /nfs/dbraw/zinc/26/16/01/588261601.db2.gz GMGQTPGXVTVPIE-CHWSQXEVSA-N 3 0 227.396 1.422 20 0 BDADRP CC[C@@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000848981012 588423514 /nfs/dbraw/zinc/42/35/14/588423514.db2.gz VCHSIAXICASTTD-MNOVXSKESA-N 2 0 226.368 1.383 20 0 BDADRP CCN(CC)C(=[NH2+])NCC1([NH+](C)C)CCCC1 ZINC000848981224 588423560 /nfs/dbraw/zinc/42/35/60/588423560.db2.gz GMLRURFUMKBLFY-UHFFFAOYSA-N 2 0 240.395 1.727 20 0 BDADRP CC[C@H](C)NC(=[NH2+])NCCC[NH+](CC)CC ZINC000848980786 588423672 /nfs/dbraw/zinc/42/36/72/588423672.db2.gz JZTFASCABLABFO-NSHDSACASA-N 2 0 228.384 1.631 20 0 BDADRP CC[C@H](CNC1=[NH+]CCCN1C)[NH+]1CCCC1 ZINC000848986338 588425627 /nfs/dbraw/zinc/42/56/27/588425627.db2.gz DWAXSCDGSDVGOL-GFCCVEGCSA-N 2 0 238.379 1.142 20 0 BDADRP CC[C@H](CNC(=[NH2+])N1CCC1)[NH+]1CCCC1 ZINC000848986463 588425869 /nfs/dbraw/zinc/42/58/69/588425869.db2.gz UTDHYVRLHGDQLG-LLVKDONJSA-N 2 0 224.352 1.091 20 0 BDADRP C[NH+](C)CCCCNC(=[NH2+])NCC1CCC1 ZINC000848990075 588426312 /nfs/dbraw/zinc/42/63/12/588426312.db2.gz XLRWJUUFRGZBPD-UHFFFAOYSA-N 2 0 226.368 1.242 20 0 BDADRP C[C@@H](CNC(=[NH2+])N(C)C1CC1)[NH+]1CCCCC1 ZINC000848995622 588428799 /nfs/dbraw/zinc/42/87/99/588428799.db2.gz WVLNOAKZFRPBND-NSHDSACASA-N 2 0 238.379 1.479 20 0 BDADRP NC(=[NH2+])NCCCCCCC[NH+]1CCCC1 ZINC000848997042 588429587 /nfs/dbraw/zinc/42/95/87/588429587.db2.gz JOVYJRVOSNNCPO-UHFFFAOYSA-N 2 0 226.368 1.516 20 0 BDADRP CC[C@H](C)NC(=[NH2+])NCC[N@H+](CC)C1CC1 ZINC000848999201 588429824 /nfs/dbraw/zinc/42/98/24/588429824.db2.gz CGEWSZZEWBPISC-JTQLQIEISA-N 2 0 226.368 1.383 20 0 BDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])N(C)C ZINC000848999143 588430052 /nfs/dbraw/zinc/43/00/52/588430052.db2.gz XAJDMEFLIINYRF-LBPRGKRZSA-N 2 0 240.395 1.727 20 0 BDADRP CC(C)(C)[NH2+]CCNC(=[NH2+])NC1CCC1 ZINC000849006081 588432628 /nfs/dbraw/zinc/43/26/28/588432628.db2.gz RIFCUKBZQBTFPQ-UHFFFAOYSA-N 2 0 212.341 1.041 20 0 BDADRP CC[C@@H](C)NC(=[NH2+])NC[C@H]1CCCC[N@@H+]1CC ZINC000849005994 588432751 /nfs/dbraw/zinc/43/27/51/588432751.db2.gz JLJQHRHXPLZBGF-VXGBXAGGSA-N 2 0 240.395 1.773 20 0 BDADRP C[N@H+](CCNC(=[NH2+])NC1CCC1)C1CCCC1 ZINC000849006297 588433041 /nfs/dbraw/zinc/43/30/41/588433041.db2.gz TYMWAPMLPYCQNZ-UHFFFAOYSA-N 2 0 238.379 1.527 20 0 BDADRP CCNC(=[NH2+])NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000849012717 588435962 /nfs/dbraw/zinc/43/59/62/588435962.db2.gz VCMLBRTUSGUEPN-LLVKDONJSA-N 2 0 226.368 1.098 20 0 BDADRP CCc1cccc(NC(=[NH2+])NCCN2CCC2)c1 ZINC000849014654 588436262 /nfs/dbraw/zinc/43/62/62/588436262.db2.gz KBNCCFFAQWNLRY-UHFFFAOYSA-N 2 0 246.358 1.891 20 0 BDADRP CN(C)C(=[NH2+])NCC(C)(C)C[NH+]1CCCC1 ZINC000849022032 588439162 /nfs/dbraw/zinc/43/91/62/588439162.db2.gz UGNYXBXMBLTRSJ-UHFFFAOYSA-N 2 0 226.368 1.194 20 0 BDADRP CC(C)NC(=[NH2+])NCC(C)(C)C[NH+]1CCCC1 ZINC000849021772 588439478 /nfs/dbraw/zinc/43/94/78/588439478.db2.gz HCQFCOLFAGQODF-UHFFFAOYSA-N 2 0 240.395 1.631 20 0 BDADRP [NH2+]=C(NC1CC([NH+]2CCCCC2)C1)N1CCC1 ZINC000849025276 588440315 /nfs/dbraw/zinc/44/03/15/588440315.db2.gz WYDOECCHOVSMAJ-UHFFFAOYSA-N 2 0 236.363 1.233 20 0 BDADRP C[C@H](CNC(=[NH2+])N1CCC(C)CC1)C[NH+](C)C ZINC000849030293 588442281 /nfs/dbraw/zinc/44/22/81/588442281.db2.gz JBZKTEARZCNZAX-GFCCVEGCSA-N 2 0 240.395 1.440 20 0 BDADRP C[N@@H+]1CCC[C@H](CCNC(=[NH2+])NC(C)(C)C)C1 ZINC000849041609 588447909 /nfs/dbraw/zinc/44/79/09/588447909.db2.gz SORZNUYUWFINQQ-LLVKDONJSA-N 2 0 240.395 1.631 20 0 BDADRP CC[C@H](C)NC(=[NH2+])NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000849050375 588451959 /nfs/dbraw/zinc/45/19/59/588451959.db2.gz ZHAYNBRENAUBOX-GARJFASQSA-N 2 0 226.368 1.239 20 0 BDADRP CO[C@H]1CC[C@H]([NH+]2CCC([NH+](C)C)CC2)C1 ZINC000851726221 588618133 /nfs/dbraw/zinc/61/81/33/588618133.db2.gz NRGIMBQTSYNGJE-STQMWFEESA-N 2 0 226.364 1.580 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](CCOC(F)F)CC1 ZINC000852743810 588697317 /nfs/dbraw/zinc/69/73/17/588697317.db2.gz KPIYASUHGQOZKJ-QMMMGPOBSA-N 2 0 222.279 1.285 20 0 BDADRP FC(F)OCC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000852750171 588700231 /nfs/dbraw/zinc/70/02/31/588700231.db2.gz XJDCTDSLOYMHNQ-GHMZBOCLSA-N 2 0 248.317 1.547 20 0 BDADRP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)C[C@H]1CC1(C)C ZINC000852774786 588702012 /nfs/dbraw/zinc/70/20/12/588702012.db2.gz ZFWFTWXKBNSFQE-CHWSQXEVSA-N 2 0 240.391 1.421 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)C=C2CC[NH2+]CC2)cc1 ZINC000852876507 588710430 /nfs/dbraw/zinc/71/04/30/588710430.db2.gz KOKCTNQWFQILDC-UHFFFAOYSA-N 2 0 245.326 1.394 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C[C@H](C)O1 ZINC000863483056 589292598 /nfs/dbraw/zinc/29/25/98/589292598.db2.gz POYYYZCHYOKUQE-RNJOBUHISA-N 2 0 238.375 1.817 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)CCO1 ZINC000863483744 589293396 /nfs/dbraw/zinc/29/33/96/589293396.db2.gz ZRVVHVGFZLQSAX-FRRDWIJNSA-N 2 0 238.375 1.676 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H]1CC[C@H]1C(C)C ZINC000863544403 589296952 /nfs/dbraw/zinc/29/69/52/589296952.db2.gz SQWOIVMYFCNHHE-RYUDHWBXSA-N 2 0 214.353 1.247 20 0 BDADRP CC(C)[C@@H]1CNCC[N@@H+]1CCCCCC[NH3+] ZINC000863545890 589297650 /nfs/dbraw/zinc/29/76/50/589297650.db2.gz ARKIMTZARHBDJW-ZDUSSCGKSA-N 2 0 227.396 1.435 20 0 BDADRP COc1cccc(CCCN(C)C[C@H](C)[NH3+])c1 ZINC000863567939 589300103 /nfs/dbraw/zinc/30/01/03/589300103.db2.gz HBOPMLYNCLJGBJ-LBPRGKRZSA-N 2 0 236.359 1.907 20 0 BDADRP [NH3+]Cc1cc(-c2cnn3c2C[NH2+]CC3)ccc1F ZINC000863713683 589312673 /nfs/dbraw/zinc/31/26/73/589312673.db2.gz QQPAESFCLLMUHE-UHFFFAOYSA-N 2 0 246.289 1.251 20 0 BDADRP CC[NH+](CC)[C@H](C)CNC(=[NH2+])N[C@@H]1C[C@@H]1C ZINC000864453251 589365444 /nfs/dbraw/zinc/36/54/44/589365444.db2.gz LVCJYNYZUNNFDC-HBNTYKKESA-N 2 0 226.368 1.239 20 0 BDADRP CCC(CC)NC(=[NH2+])NCC1CC[NH+](C)CC1 ZINC000864456005 589366771 /nfs/dbraw/zinc/36/67/71/589366771.db2.gz DNXSOQIKPJRLRY-UHFFFAOYSA-N 2 0 240.395 1.631 20 0 BDADRP C[C@H]1C[C@@H]1NC(=[NH2+])NCC[N@@H+]1CCCC1(C)C ZINC000864465675 589370816 /nfs/dbraw/zinc/37/08/16/589370816.db2.gz BLBTWITYUYJNLT-QWRGUYRKSA-N 2 0 238.379 1.383 20 0 BDADRP C[NH+](C)CCCNc1cc[nH+]cc1C(F)(F)F ZINC000865401268 589432864 /nfs/dbraw/zinc/43/28/64/589432864.db2.gz MSHPIKDNXWQLKR-UHFFFAOYSA-N 2 0 247.264 1.886 20 0 BDADRP CC(C)C[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000865658641 589454899 /nfs/dbraw/zinc/45/48/99/589454899.db2.gz VBDBYSMNJHTAAK-NSHDSACASA-N 2 0 214.353 1.077 20 0 BDADRP CS[C@H]1C[C@H]([NH2+][C@@H]2CN(C)C[C@@H]2C)C1 ZINC000865734320 589459122 /nfs/dbraw/zinc/45/91/22/589459122.db2.gz SJNAGUQVRJGVHA-XWLWVQCSSA-N 2 0 214.378 1.420 20 0 BDADRP C[C@H]1OCC[C@H]1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000866660757 589508230 /nfs/dbraw/zinc/50/82/30/589508230.db2.gz KWFKEOHWLIOYBW-OLZOCXBDSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@H]([NH3+])CN(C)Cc1cccc2c1CCOC2 ZINC000866668023 589510167 /nfs/dbraw/zinc/51/01/67/589510167.db2.gz GPVWFFDRAHUXBC-NSHDSACASA-N 2 0 234.343 1.538 20 0 BDADRP CO[C@@H](C[N@@H+]1CC[NH2+]CCC1(C)C)C1CCC1 ZINC000866697711 589512748 /nfs/dbraw/zinc/51/27/48/589512748.db2.gz WHRFYIPKZGQJSP-ZDUSSCGKSA-N 2 0 240.391 1.875 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000866703723 589513305 /nfs/dbraw/zinc/51/33/05/589513305.db2.gz LABWXYJXPTWWAE-OLZOCXBDSA-N 2 0 240.416 1.671 20 0 BDADRP CC(C)(C)[C@@]1(C[NH3+])CCN(C[C@H]2CC[NH2+]C2)C1 ZINC000866704724 589513638 /nfs/dbraw/zinc/51/36/38/589513638.db2.gz XFGPXCBIHMDSDR-GXTWGEPZSA-N 2 0 239.407 1.293 20 0 BDADRP C(CN1CCC[C@@H]2[NH2+]CC[C@@H]21)[C@@H]1CCC[NH2+]C1 ZINC000866722929 589515183 /nfs/dbraw/zinc/51/51/83/589515183.db2.gz ASYKBOZIJORAKR-IHRRRGAJSA-N 2 0 237.391 1.202 20 0 BDADRP C(CN1CCC[C@H]2[NH2+]CC[C@@H]21)C1CC[NH2+]CC1 ZINC000866724128 589516023 /nfs/dbraw/zinc/51/60/23/589516023.db2.gz INEYSXRDZHVCIA-KGLIPLIRSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@H](NC(=O)CCC(C)(C)[NH3+])C1CC[NH2+]CC1 ZINC000868012262 589544140 /nfs/dbraw/zinc/54/41/40/589544140.db2.gz CQFROWZZRAIEFE-JTQLQIEISA-N 2 0 241.379 1.008 20 0 BDADRP C[NH+](C)Cc1cccc(NC(=O)C(C)(C)C[NH3+])c1 ZINC000123091690 589661622 /nfs/dbraw/zinc/66/16/22/589661622.db2.gz YBTALPFQFVEVCY-UHFFFAOYSA-N 2 0 249.358 1.672 20 0 BDADRP C[C@@H](NC(=O)CCCCC[NH3+])C1CC[NH2+]CC1 ZINC000870984484 589706076 /nfs/dbraw/zinc/70/60/76/589706076.db2.gz VHIPQUYTNLSWMD-LLVKDONJSA-N 2 0 241.379 1.010 20 0 BDADRP [NH3+]CC1CC[NH+](C[C@@H]2CC3(CCC3)CO2)CC1 ZINC000872142063 589882529 /nfs/dbraw/zinc/88/25/29/589882529.db2.gz IQGWSIGJGHPOJF-ZDUSSCGKSA-N 2 0 238.375 1.616 20 0 BDADRP [NH3+]CCN1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872157556 589885929 /nfs/dbraw/zinc/88/59/29/589885929.db2.gz PPCXTHRXTKRYHE-TZMCWYRMSA-N 2 0 239.407 1.565 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@H]2CCCOC2)C1 ZINC000872253016 589900392 /nfs/dbraw/zinc/90/03/92/589900392.db2.gz YOHHKWZKJDHUOJ-OLZOCXBDSA-N 2 0 240.391 1.781 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2CCCOC2)C1 ZINC000872250916 589900394 /nfs/dbraw/zinc/90/03/94/589900394.db2.gz DTBMGGZYWORNNG-RYUDHWBXSA-N 2 0 226.364 1.533 20 0 BDADRP CC[C@@H]([NH3+])CNCc1cc2c(s1)CC[NH2+]C2 ZINC000873212163 589995964 /nfs/dbraw/zinc/99/59/64/589995964.db2.gz IWRPARWEMQEEAI-SNVBAGLBSA-N 2 0 239.388 1.221 20 0 BDADRP [NH3+][C@@H]1C[C@H]1c1ccc(N[C@@H]2CCC[NH2+]C2)cc1 ZINC000873214858 589998107 /nfs/dbraw/zinc/99/81/07/589998107.db2.gz LCDXXGUQTFIYHW-HZSPNIEDSA-N 2 0 231.343 1.665 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1C[C@@H](O)CC(C)(C)C1 ZINC000873221887 589999440 /nfs/dbraw/zinc/99/94/40/589999440.db2.gz SGFOUOFLESPWNQ-NEPJUHHUSA-N 2 0 228.380 1.453 20 0 BDADRP C[N@@H+]1CC[C@H]2CN(CC[NH2+]C(C)(C)C)CC[C@H]21 ZINC000873222055 589999784 /nfs/dbraw/zinc/99/97/84/589999784.db2.gz YCVJGNOOXVYPEZ-QWHCGFSZSA-N 2 0 239.407 1.401 20 0 BDADRP CC(C)[C@@H](C[NH3+])C[N@H+](C)CCCCCC[NH3+] ZINC000873231594 590003046 /nfs/dbraw/zinc/00/30/46/590003046.db2.gz QOMUCGXVKPMLFC-ZDUSSCGKSA-N 3 0 229.412 1.668 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)[C@@H]2CCC[C@@H]21 ZINC000873248482 590006930 /nfs/dbraw/zinc/00/69/30/590006930.db2.gz BJMZCZRMJCKUKG-NDKCEZKHSA-N 3 0 237.391 1.186 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)c2nccn21 ZINC000873249283 590007458 /nfs/dbraw/zinc/00/74/58/590007458.db2.gz KDZFXTJOGXDJIV-UKKRHICBSA-N 2 0 220.320 1.216 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)c2nccn21 ZINC000873249282 590007467 /nfs/dbraw/zinc/00/74/67/590007467.db2.gz KDZFXTJOGXDJIV-MMWGEVLESA-N 2 0 220.320 1.216 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC12CCOCC2 ZINC000873248928 590007569 /nfs/dbraw/zinc/00/75/69/590007569.db2.gz IZLONJLHCXCBRL-YNEHKIRRSA-N 2 0 238.375 1.663 20 0 BDADRP Cc1cc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)nn1C ZINC000873248897 590007617 /nfs/dbraw/zinc/00/76/17/590007617.db2.gz GOXRVEAKIPZJNC-GARJFASQSA-N 2 0 222.336 1.116 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC000873251909 590008881 /nfs/dbraw/zinc/00/88/81/590008881.db2.gz YGNXZUDBXCLEQB-FRRDWIJNSA-N 2 0 238.375 1.663 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000873252925 590008999 /nfs/dbraw/zinc/00/89/99/590008999.db2.gz SNLLAPXVUIPTFQ-RFHZTLPTSA-N 2 0 240.391 1.765 20 0 BDADRP CC(C)[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000873252857 590009119 /nfs/dbraw/zinc/00/91/19/590009119.db2.gz WOPQPZVQIGZETH-YVECIDJPSA-N 2 0 226.364 1.517 20 0 BDADRP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873253900 590009698 /nfs/dbraw/zinc/00/96/98/590009698.db2.gz GXILHBQUBHAMIM-IEBDPFPHSA-N 2 0 222.336 1.116 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCOC1 ZINC000873254296 590009819 /nfs/dbraw/zinc/00/98/19/590009819.db2.gz PWELUCBHHHCSFJ-WYUUTHIRSA-N 2 0 212.337 1.128 20 0 BDADRP Cc1cc([C@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)nn1C ZINC000873255504 590011170 /nfs/dbraw/zinc/01/11/70/590011170.db2.gz GOXRVEAKIPZJNC-DCAQKATOSA-N 2 0 222.336 1.116 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccncc1 ZINC000873255386 590011245 /nfs/dbraw/zinc/01/12/45/590011245.db2.gz FPGYCIMPDICIRE-NHCYSSNCSA-N 2 0 205.305 1.470 20 0 BDADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CC[C@@H]2C2CCC2)C1 ZINC000873258312 590012813 /nfs/dbraw/zinc/01/28/13/590012813.db2.gz QBSDGRAPSUMKCZ-OJAKKHQRSA-N 2 0 208.349 1.892 20 0 BDADRP CC(C)[C@H]1C[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)CCO1 ZINC000873258871 590013209 /nfs/dbraw/zinc/01/32/09/590013209.db2.gz WOPQPZVQIGZETH-FDYHWXHSSA-N 2 0 226.364 1.517 20 0 BDADRP COC[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000873264810 590014700 /nfs/dbraw/zinc/01/47/00/590014700.db2.gz RXYLHRBEAAFCRL-CRWXNKLISA-N 2 0 240.391 1.778 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCOC1 ZINC000873265737 590014780 /nfs/dbraw/zinc/01/47/80/590014780.db2.gz XJJMFDZIXMPAIE-QNSTZXKLSA-N 2 0 238.375 1.532 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)[C@@H]1CCOC1 ZINC000873272380 590015952 /nfs/dbraw/zinc/01/59/52/590015952.db2.gz TWAFJNZPEYVLHE-YUTCNCBUSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@H]([NH2+][C@H]1C[C@H](C)n2ccnc21)C1CC[NH2+]CC1 ZINC000873270982 590016081 /nfs/dbraw/zinc/01/60/81/590016081.db2.gz DLFSHRFYDPTBNJ-GVXVVHGQSA-N 2 0 248.374 1.867 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)C1CC[NH2+]CC1 ZINC000873272400 590016400 /nfs/dbraw/zinc/01/64/00/590016400.db2.gz RSFOXFLACWGEJB-GMXVVIOVSA-N 2 0 226.364 1.389 20 0 BDADRP CO[C@H]1CCC[C@H]([NH2+][C@@H](C)C2CC[NH2+]CC2)C1 ZINC000873272036 590016402 /nfs/dbraw/zinc/01/64/02/590016402.db2.gz OBJNQRZXTTYCFX-UBHSHLNASA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCCC[C@H]1[NH3+])C1CC[NH2+]CC1 ZINC000873273275 590016831 /nfs/dbraw/zinc/01/68/31/590016831.db2.gz ZVTDNEHBOZBISJ-IACUBPJLSA-N 3 0 239.407 1.624 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873273083 590016983 /nfs/dbraw/zinc/01/69/83/590016983.db2.gz XZAZTWUBZISWND-OUAUKWLOSA-N 2 0 214.353 1.388 20 0 BDADRP C[C@@H]([NH2+]C1([C@H]2CCCCO2)CCC1)C1C[NH2+]C1 ZINC000873275998 590017914 /nfs/dbraw/zinc/01/79/14/590017914.db2.gz PRAVLRVPEFBFJR-DGCLKSJQSA-N 2 0 238.375 1.676 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CCC[C@H]1CCOC1=O ZINC000873282148 590019082 /nfs/dbraw/zinc/01/90/82/590019082.db2.gz FSPJBTVXVGONJQ-RYUDHWBXSA-N 2 0 242.363 1.437 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1CC(C)(C)CO1 ZINC000873282958 590019233 /nfs/dbraw/zinc/01/92/33/590019233.db2.gz XQPHJPDBIRYQMD-HBNTYKKESA-N 2 0 214.353 1.517 20 0 BDADRP CCC[C@@H](C)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290856 590022896 /nfs/dbraw/zinc/02/28/96/590022896.db2.gz UBHUKYZGDLZLLL-CHWSQXEVSA-N 2 0 240.391 1.923 20 0 BDADRP CC[C@@H](C)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290822 590023104 /nfs/dbraw/zinc/02/31/04/590023104.db2.gz SMQPTSTZSYOSEF-VXGBXAGGSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000873297093 590024886 /nfs/dbraw/zinc/02/48/86/590024886.db2.gz RBZYTERIFSPTSB-SLEUVZQESA-N 2 0 247.386 1.416 20 0 BDADRP CC[C@@H](C(=O)N(C)C1CCC([NH3+])CC1)[NH+](C)C ZINC000876540831 590212273 /nfs/dbraw/zinc/21/22/73/590212273.db2.gz NXRGFMWNEBABMD-MCIGGMRASA-N 2 0 241.379 1.055 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CCCCCCO)[C@H](C)C1 ZINC000126225637 590254958 /nfs/dbraw/zinc/25/49/58/590254958.db2.gz QCAFRSAZADTSRW-KGLIPLIRSA-N 2 0 242.407 1.859 20 0 BDADRP C[C@H]([NH3+])CN(C)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000877094733 590282027 /nfs/dbraw/zinc/28/20/27/590282027.db2.gz COFMZSXOBPAMGO-WCQYABFASA-N 2 0 249.358 1.272 20 0 BDADRP C[C@@H]([NH3+])CN(C)C(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000877105852 590285008 /nfs/dbraw/zinc/28/50/08/590285008.db2.gz SLEZGYNUIXTJCW-ZYHUDNBSSA-N 2 0 241.379 1.090 20 0 BDADRP C[C@@H]([NH3+])CN(C)C(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000877106908 590285496 /nfs/dbraw/zinc/28/54/96/590285496.db2.gz XVPCRJZSPYHYSE-MFKMUULPSA-N 2 0 247.342 1.027 20 0 BDADRP C[C@H]([NH3+])CCC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877137618 590291166 /nfs/dbraw/zinc/29/11/66/590291166.db2.gz YUPKSXHEOQAMAF-TVYUQYBPSA-N 2 0 247.342 1.567 20 0 BDADRP CC(C)[NH2+]CCC(=O)N(C)CCCCCC[NH3+] ZINC000877443963 590329141 /nfs/dbraw/zinc/32/91/41/590329141.db2.gz IOQWGLZBFUJIFT-UHFFFAOYSA-N 2 0 243.395 1.352 20 0 BDADRP CO[C@@H](C)C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000877684290 590391506 /nfs/dbraw/zinc/39/15/06/590391506.db2.gz KMYMHFWKZFIBKT-ZDUSSCGKSA-N 2 0 240.391 1.829 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](CC3(C)CC3)CC[C@@H]21 ZINC000877738226 590405231 /nfs/dbraw/zinc/40/52/31/590405231.db2.gz ASHHRMGHGYPETP-NEPJUHHUSA-N 2 0 208.349 1.813 20 0 BDADRP FCCN1CCCN(c2cc[nH+]cc2)CC1 ZINC000878748306 590618220 /nfs/dbraw/zinc/61/82/20/590618220.db2.gz VDZYNBKUGVRUFJ-UHFFFAOYSA-N 2 0 223.295 1.563 20 0 BDADRP C=C/C=C\CC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000878865877 590635518 /nfs/dbraw/zinc/63/55/18/590635518.db2.gz OSXLYAWUFTWRAE-GEXIGZQTSA-N 2 0 238.375 1.507 20 0 BDADRP CCOCC[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879248950 590721253 /nfs/dbraw/zinc/72/12/53/590721253.db2.gz ZXFBDOWMDAEKEW-UHFFFAOYSA-N 2 0 240.391 1.831 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](C[Si](C)(C)C)CC[C@@H]21 ZINC000879573794 590814982 /nfs/dbraw/zinc/81/49/82/590814982.db2.gz RQVHPTOFXJPRHP-NEPJUHHUSA-N 2 0 226.440 1.890 20 0 BDADRP CC(C)[C@H](O)CC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879580865 590820658 /nfs/dbraw/zinc/82/06/58/590820658.db2.gz VDCBAHXXZBFNKK-HZSPNIEDSA-N 2 0 240.391 1.419 20 0 BDADRP CC(C)[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879582099 590820806 /nfs/dbraw/zinc/82/08/06/590820806.db2.gz PPTXXAIQEPKVIL-YNEHKIRRSA-N 2 0 226.364 1.029 20 0 BDADRP CC(C)[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879582096 590821609 /nfs/dbraw/zinc/82/16/09/590821609.db2.gz PPTXXAIQEPKVIL-FRRDWIJNSA-N 2 0 226.364 1.029 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](CF)C1 ZINC000880297220 590990343 /nfs/dbraw/zinc/99/03/43/590990343.db2.gz KXMIQQDFWBVRRX-VXGBXAGGSA-N 2 0 214.328 1.762 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1[C@@H](C)CC[C@H]1CO ZINC000880440008 591042124 /nfs/dbraw/zinc/04/21/24/591042124.db2.gz PULLFHYQXRQGDE-STQMWFEESA-N 2 0 228.380 1.564 20 0 BDADRP CCC(CC)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128566035 591125893 /nfs/dbraw/zinc/12/58/93/591125893.db2.gz GCDNVHKIWDKVGR-UHFFFAOYSA-N 2 0 241.423 1.792 20 0 BDADRP [NH3+]CCCOC1CC[NH+](C/C=C\Cl)CC1 ZINC000211917601 591275363 /nfs/dbraw/zinc/27/53/63/591275363.db2.gz YXARWLXZDSFYEY-KTAJNNJTSA-N 2 0 232.755 1.569 20 0 BDADRP [NH3+]C1(C[NH2+]C[C@H]2CCC3(CCC3)O2)CCC1 ZINC000883425315 591658993 /nfs/dbraw/zinc/65/89/93/591658993.db2.gz RJBPSKRSTRQCIZ-LLVKDONJSA-N 2 0 224.348 1.559 20 0 BDADRP C[N@H+](CC[C@@H]1CCCC1(F)F)C[C@H](O)C[NH3+] ZINC000883430107 591661491 /nfs/dbraw/zinc/66/14/91/591661491.db2.gz NHOZWILPWWWEAR-VHSXEESVSA-N 2 0 236.306 1.063 20 0 BDADRP C[C@@]1(c2ccccc2)CCC[N@@H+]1CCOCC[NH3+] ZINC000883460081 591673764 /nfs/dbraw/zinc/67/37/64/591673764.db2.gz OPWIOXWLSSVKDK-HNNXBMFYSA-N 2 0 248.370 1.973 20 0 BDADRP [NH3+]CCOCC[N@@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000883461743 591674407 /nfs/dbraw/zinc/67/44/07/591674407.db2.gz BZHFOZIXTRWLTL-WFASDCNBSA-N 2 0 246.354 1.896 20 0 BDADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000884036252 591817528 /nfs/dbraw/zinc/81/75/28/591817528.db2.gz RCODOFMZBDKLHZ-WCQYABFASA-N 2 0 243.395 1.110 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@H]([NH3+])CC2CC2)cc1 ZINC000884037832 591818689 /nfs/dbraw/zinc/81/86/89/591818689.db2.gz NHVYPPVBIAYUNC-TVQRCGJNSA-N 2 0 247.342 1.772 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H]([NH3+])CC2CC2)cc1 ZINC000884037831 591818798 /nfs/dbraw/zinc/81/87/98/591818798.db2.gz NHVYPPVBIAYUNC-RNCFNFMXSA-N 2 0 247.342 1.772 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)c1ccc(C[NH3+])cc1 ZINC000884347963 591908422 /nfs/dbraw/zinc/90/84/22/591908422.db2.gz KZENISVUQVXZAL-VXGBXAGGSA-N 2 0 247.342 1.001 20 0 BDADRP CC1(C)[C@H](NC(=O)c2ccc(C[NH3+])cc2)C[C@@H]1[NH3+] ZINC000884347961 591909122 /nfs/dbraw/zinc/90/91/22/591909122.db2.gz KZENISVUQVXZAL-NWDGAFQWSA-N 2 0 247.342 1.001 20 0 BDADRP CC(C)CCCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000134298808 591913581 /nfs/dbraw/zinc/91/35/81/591913581.db2.gz RKRAOTKJRYMMBE-CQSZACIVSA-N 2 0 242.407 1.859 20 0 BDADRP COC(CN(C)CC[C@@H]1CCCC[N@@H+]1C)OC ZINC000136774751 592150928 /nfs/dbraw/zinc/15/09/28/592150928.db2.gz HTXJAOAQTCBMQI-LBPRGKRZSA-N 2 0 244.379 1.412 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+]C[C@H]1CCC=CO1 ZINC000219375397 592222960 /nfs/dbraw/zinc/22/29/60/592222960.db2.gz VBDQQSSJLNPTGJ-CYBMUJFWSA-N 2 0 226.364 1.999 20 0 BDADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ncco1 ZINC000886532518 592249220 /nfs/dbraw/zinc/24/92/20/592249220.db2.gz KJPDLHFWRZMGIV-SNVBAGLBSA-N 2 0 211.309 1.667 20 0 BDADRP C[NH2+]C1CC[NH+](C[C@@H]2C[C@@]23CCOC3)CC1 ZINC000886827627 592349997 /nfs/dbraw/zinc/34/99/97/592349997.db2.gz OKUSOSPLSYJPKG-WCQYABFASA-N 2 0 224.348 1.097 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2C[C@]23CCOC3)CC[C@H]1[NH3+] ZINC000886829437 592352257 /nfs/dbraw/zinc/35/22/57/592352257.db2.gz AFSBHTZEDXHHDU-XQHKEYJVSA-N 2 0 224.348 1.082 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H]2C[C@@]23CCOC3)CC[C@@H]1[NH3+] ZINC000886837323 592358810 /nfs/dbraw/zinc/35/88/10/592358810.db2.gz FCYAUPCVXIOWLR-ZOBORPQBSA-N 2 0 238.375 1.472 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@H]1C[C@]12CCOC2 ZINC000886840311 592360154 /nfs/dbraw/zinc/36/01/54/592360154.db2.gz YXUHDEXMFCUMEW-LPWJVIDDSA-N 2 0 224.348 1.273 20 0 BDADRP CCN(CCCC1CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC000886847093 592365436 /nfs/dbraw/zinc/36/54/36/592365436.db2.gz ZZHBMAOPIHLQNI-CQSZACIVSA-N 2 0 239.407 1.450 20 0 BDADRP C(C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1)[C@H]1CC[NH2+]C1 ZINC000886859948 592372804 /nfs/dbraw/zinc/37/28/04/592372804.db2.gz LNPSLCCICXHDMP-MCIONIFRSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCCCO ZINC000887133289 592449560 /nfs/dbraw/zinc/44/95/60/592449560.db2.gz YDHCOFQNSQSCGI-ZDUSSCGKSA-N 2 0 249.358 1.365 20 0 BDADRP C[C@H](CNC(=[NH2+])NCC1CC1)C[NH+]1CCCC1 ZINC000887351708 592486084 /nfs/dbraw/zinc/48/60/84/592486084.db2.gz YDOAVWAHKYPJAY-LLVKDONJSA-N 2 0 238.379 1.242 20 0 BDADRP CC(C)C[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000300214503 592504751 /nfs/dbraw/zinc/50/47/51/592504751.db2.gz JTEKQHHQMKMMCJ-UPJWGTAASA-N 2 0 228.380 1.466 20 0 BDADRP C[C@H]1C[N@H+](CCCCCC[NH3+])[C@@H](C)CO1 ZINC000223223072 592522070 /nfs/dbraw/zinc/52/20/70/592522070.db2.gz ZNXHJOOTSDQJRU-RYUDHWBXSA-N 2 0 214.353 1.615 20 0 BDADRP [NH3+][C@@H]1C[C@@H](N[C@@H]2CC[NH2+]C3(CCC3)C2)C12CCC2 ZINC000925704051 634382529 /nfs/dbraw/zinc/38/25/29/634382529.db2.gz FZFLXECUHJLFHT-JHJVBQTASA-N 2 0 249.402 1.521 20 0 BDADRP C[C@H]1CC[N@H+](CC(C)(C)O)CC[C@@H]1C[NH3+] ZINC001246024160 987302923 /nfs/dbraw/zinc/30/29/23/987302923.db2.gz QRGMLDSVUXOEHB-WDEREUQCSA-N 2 0 214.353 1.064 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000925706616 634390217 /nfs/dbraw/zinc/39/02/17/634390217.db2.gz NPXKVJGRHIQKAK-AVGNSLFASA-N 2 0 237.391 1.391 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000925706618 634391163 /nfs/dbraw/zinc/39/11/63/634391163.db2.gz NPXKVJGRHIQKAK-XQQFMLRXSA-N 2 0 237.391 1.391 20 0 BDADRP OC/C=C\C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925707078 634394518 /nfs/dbraw/zinc/39/45/18/634394518.db2.gz OMGIFKMUJHALBM-JHZNUDOXSA-N 2 0 238.375 1.293 20 0 BDADRP CC(C)(F)CC[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2 ZINC000925711658 634412866 /nfs/dbraw/zinc/41/28/66/634412866.db2.gz UXIBWLQUSCNNFH-BKUVIOGVSA-N 2 0 244.354 1.467 20 0 BDADRP OC[C@@H]1CCCCC[N@@H+]1CCC[NH2+]C1CC1 ZINC000124778119 634432879 /nfs/dbraw/zinc/43/28/79/634432879.db2.gz BJUMLZLOGXTPAN-ZDUSSCGKSA-N 2 0 226.364 1.365 20 0 BDADRP COC1CC(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925714916 634436014 /nfs/dbraw/zinc/43/60/14/634436014.db2.gz ZBUBQEPCKYPPOM-WXRRBKDZSA-N 2 0 238.375 1.676 20 0 BDADRP Cn1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000257691075 634466899 /nfs/dbraw/zinc/46/68/99/634466899.db2.gz NOFFZBWKGAURJB-UHFFFAOYSA-N 2 0 233.359 1.601 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CCCc3n[nH]cc32)CCC[NH2+]C1 ZINC000335487486 634475523 /nfs/dbraw/zinc/47/55/23/634475523.db2.gz LWWGFJLWLYKEQN-OCCSQVGLSA-N 2 0 248.374 1.766 20 0 BDADRP C[C@@H]1NCCC[C@@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925727988 634527360 /nfs/dbraw/zinc/52/73/60/634527360.db2.gz RTNKCPZLAWUPGK-HPCHECBXSA-N 2 0 237.391 1.247 20 0 BDADRP COC[C@H]([NH2+]CCC(C)(C)[NH3+])C1CCCC1 ZINC000925738229 634596936 /nfs/dbraw/zinc/59/69/36/634596936.db2.gz OGCHRQWHFRNDNB-LBPRGKRZSA-N 2 0 228.380 1.909 20 0 BDADRP CC(C)C[C@@H](O)C[NH2+]CC1CC[NH+](C)CC1 ZINC000226078751 635422617 /nfs/dbraw/zinc/42/26/17/635422617.db2.gz VJVANMSFOYLKAD-CYBMUJFWSA-N 2 0 228.380 1.325 20 0 BDADRP C[N@@H+]1CC[C@H](N[C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000227539416 635451573 /nfs/dbraw/zinc/45/15/73/635451573.db2.gz FSGVHGZVTFPSMO-ZLKJLUDKSA-N 2 0 231.343 1.425 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000925858758 635551969 /nfs/dbraw/zinc/55/19/69/635551969.db2.gz OVRMGWXOAQAVKH-GRYCIOLGSA-N 2 0 214.353 1.255 20 0 BDADRP [NH3+]C1CCC([NH2+][C@@H]2CCO[C@H]2C2CC2)CC1 ZINC000236206237 635597023 /nfs/dbraw/zinc/59/70/23/635597023.db2.gz ZQFFBWQILAMGMI-TUUUFIMRSA-N 2 0 224.348 1.413 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000925877947 635602083 /nfs/dbraw/zinc/60/20/83/635602083.db2.gz ZNJQHOXJUUXDNW-CRWXNKLISA-N 3 0 239.407 1.434 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+][C@H](C)CC[NH+](C)C)C12CCC2 ZINC000308369468 631236965 /nfs/dbraw/zinc/23/69/65/631236965.db2.gz OIADIRIIDBECBS-FRRDWIJNSA-N 2 0 240.391 1.874 20 0 BDADRP Oc1cccc(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000215952128 631249018 /nfs/dbraw/zinc/24/90/18/631249018.db2.gz NKDRYZHNAQIADE-GFCCVEGCSA-N 2 0 220.316 1.624 20 0 BDADRP CCOC1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000082560574 631407702 /nfs/dbraw/zinc/40/77/02/631407702.db2.gz RQRWWORNZQOTBY-NEPJUHHUSA-N 2 0 226.364 1.343 20 0 BDADRP CCSCC[NH2+]CCN1CCC[C@H]1C ZINC000308594137 631435904 /nfs/dbraw/zinc/43/59/04/631435904.db2.gz LPXILRPLEIGOQT-LLVKDONJSA-N 2 0 216.394 1.813 20 0 BDADRP C[NH+]1CCC(C[NH2+]C[C@]2(C)CCCO2)CC1 ZINC000087233376 631477845 /nfs/dbraw/zinc/47/78/45/631477845.db2.gz PMCYLOWENBXSJQ-ZDUSSCGKSA-N 2 0 226.364 1.487 20 0 BDADRP C[N@@H+]1C[C@@H]2C[NH+](CCCn3ccnc3)C[C@]2(C)C1 ZINC000933736654 631497737 /nfs/dbraw/zinc/49/77/37/631497737.db2.gz ZWCANKNCCFZQPF-KGLIPLIRSA-N 2 0 248.374 1.157 20 0 BDADRP C[NH+](C)CCOCC[NH2+][C@H](C1CC1)C(C)(C)C ZINC000926254251 631512325 /nfs/dbraw/zinc/51/23/25/631512325.db2.gz KXBZIKOHNIGMOZ-CYBMUJFWSA-N 2 0 242.407 1.979 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCSC[C@H]1C ZINC000934297554 631763754 /nfs/dbraw/zinc/76/37/54/631763754.db2.gz HRJWCXBBSVNOKE-VXGBXAGGSA-N 2 0 246.420 1.126 20 0 BDADRP C[C@@H]([NH2+]CCC(C)(C)[NH3+])c1cccnc1 ZINC000308965407 631772453 /nfs/dbraw/zinc/77/24/53/631772453.db2.gz MAWRICZEJAZWPW-SNVBAGLBSA-N 2 0 207.321 1.860 20 0 BDADRP CC(C)C[N@@H+]1CC[C@H](CNC(=[NH2+])N2CCC2)C1 ZINC000849012723 631935924 /nfs/dbraw/zinc/93/59/24/631935924.db2.gz VLUHDODCPSTOEM-GFCCVEGCSA-N 2 0 238.379 1.194 20 0 BDADRP CC(C)CNC(=[NH2+])NCC[NH+]1CCCCCC1 ZINC000052043205 632053275 /nfs/dbraw/zinc/05/32/75/632053275.db2.gz NJFLPHQJEQIWKY-UHFFFAOYSA-N 2 0 240.395 1.632 20 0 BDADRP C[C@@H](CNC(=[NH2+])NC1CC1)C[NH+]1CCCCC1 ZINC000052042984 632054336 /nfs/dbraw/zinc/05/43/36/632054336.db2.gz CYXBQCXBALDCPO-NSHDSACASA-N 2 0 238.379 1.385 20 0 BDADRP CC(C)CNC(=[NH2+])NCC[NH+]1CCC(C)CC1 ZINC000052043184 632054450 /nfs/dbraw/zinc/05/44/50/632054450.db2.gz LWJYRWFITZOOFQ-UHFFFAOYSA-N 2 0 240.395 1.488 20 0 BDADRP CC1CC[NH+](CCNC(=[NH2+])NC(C)(C)C)CC1 ZINC000052043183 632054867 /nfs/dbraw/zinc/05/48/67/632054867.db2.gz DPIWECIMPMCJHM-UHFFFAOYSA-N 2 0 240.395 1.631 20 0 BDADRP C[C@H]1C[N@H+](CCOc2ccccc2)CC[C@@H]1C[NH3+] ZINC000122299633 632059006 /nfs/dbraw/zinc/05/90/06/632059006.db2.gz BIPSYPDTMOIWKU-UONOGXRCSA-N 2 0 248.370 1.982 20 0 BDADRP C([C@H]1CCC[NH2+]1)N1CC[NH+](C2CCCC2)CC1 ZINC000052061840 632061501 /nfs/dbraw/zinc/06/15/01/632061501.db2.gz MTGPDWYOMXINFI-CYBMUJFWSA-N 2 0 237.391 1.299 20 0 BDADRP C1=CC[C@@H]2C[N@@H+](CC[C@@H]3CC[NH2+]C3)C[C@@H]2C1 ZINC000309495278 632417064 /nfs/dbraw/zinc/41/70/64/632417064.db2.gz JWOHJGDPVZIDQR-MELADBBJSA-N 2 0 220.360 1.884 20 0 BDADRP C[C@H]([NH2+]CCC(C)(C)[NH3+])c1ccncc1 ZINC000308922552 632450759 /nfs/dbraw/zinc/45/07/59/632450759.db2.gz ZLZCRKZLEUOUDY-JTQLQIEISA-N 2 0 207.321 1.860 20 0 BDADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccnn1C ZINC000235182680 632460687 /nfs/dbraw/zinc/46/06/87/632460687.db2.gz XUWXZQLMOIGPHT-KPPDAEKUSA-N 2 0 222.336 1.341 20 0 BDADRP C[N@H+](CCC[NH3+])CCc1ccc2c(c1)OCO2 ZINC000034436616 632596725 /nfs/dbraw/zinc/59/67/25/632596725.db2.gz DXISLICMJSDMHP-UHFFFAOYSA-N 2 0 236.315 1.238 20 0 BDADRP CC(=O)OC[C@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000892461964 632732653 /nfs/dbraw/zinc/73/26/53/632732653.db2.gz LLIUETIKNVKYGA-LBPRGKRZSA-N 2 0 242.363 1.404 20 0 BDADRP [NH3+][C@H](CC(F)F)CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000310420081 632738793 /nfs/dbraw/zinc/73/87/93/632738793.db2.gz YSSHLYTXSRRSLF-MNOVXSKESA-N 2 0 247.333 1.139 20 0 BDADRP Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](C[NH3+])C2)n1 ZINC000091996066 632775649 /nfs/dbraw/zinc/77/56/49/632775649.db2.gz MCOGEGLCRCBZBR-NSHDSACASA-N 2 0 235.331 1.266 20 0 BDADRP CC[NH+](CC)CCNC(=[NH2+])NC(C)(C)C ZINC000052040802 632779083 /nfs/dbraw/zinc/77/90/83/632779083.db2.gz LXKUEFZMIKJBKS-UHFFFAOYSA-N 2 0 214.357 1.241 20 0 BDADRP CC(C)CNC(=[NH2+])NCCCC[NH+](C)C ZINC000052044066 632782149 /nfs/dbraw/zinc/78/21/49/632782149.db2.gz UTUJBSNWKPWPGQ-UHFFFAOYSA-N 2 0 214.357 1.098 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCCCCCO)C1 ZINC000236293928 632912424 /nfs/dbraw/zinc/91/24/24/632912424.db2.gz IFVGYEMDKKCWEM-NEPJUHHUSA-N 2 0 214.353 1.399 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000926796179 633081488 /nfs/dbraw/zinc/08/14/88/633081488.db2.gz BZWLFSQVNSBSDJ-SJWJCTCFSA-N 2 0 248.292 1.867 20 0 BDADRP C[NH+](C)C1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000062911269 633137653 /nfs/dbraw/zinc/13/76/53/633137653.db2.gz XNRRRJUCIYXICF-ZDUSSCGKSA-N 2 0 225.380 1.012 20 0 BDADRP COC1CCC(C[NH2+]C[C@@H]2CCCN2C)CC1 ZINC000892721725 633194278 /nfs/dbraw/zinc/19/42/78/633194278.db2.gz OGBAKRJSRVTQGL-MOKVOYLWSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)COCC[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000232673069 636021402 /nfs/dbraw/zinc/02/14/02/636021402.db2.gz ODQIBPBVVCZBJQ-STQMWFEESA-N 2 0 228.380 1.576 20 0 BDADRP C1=CC[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000328461092 633765354 /nfs/dbraw/zinc/76/53/54/633765354.db2.gz URGKJZJTVFCLOP-XNBXPENISA-N 2 0 218.344 1.681 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328546026 633773880 /nfs/dbraw/zinc/77/38/80/633773880.db2.gz NHNBUTJCHWHBFB-MZHQWRCYSA-N 2 0 249.402 1.057 20 0 BDADRP COCCCCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328572545 633777925 /nfs/dbraw/zinc/77/79/25/633777925.db2.gz URKGFPNCNVBVGA-MEBFFEOJSA-N 2 0 238.375 1.389 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)[C@@H]1CCOC1 ZINC000925516312 633866647 /nfs/dbraw/zinc/86/66/47/633866647.db2.gz KRXFPFZYACZJJV-QNWHQSFQSA-N 2 0 240.391 1.907 20 0 BDADRP C[C@@H]([NH2+]CCC1(O)CCC1)C1CC[NH+](C)CC1 ZINC000396472228 634041990 /nfs/dbraw/zinc/04/19/90/634041990.db2.gz YMBYKVJFUISSQK-GFCCVEGCSA-N 2 0 240.391 1.611 20 0 BDADRP CO[C@@H](C)CC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925565672 634059372 /nfs/dbraw/zinc/05/93/72/634059372.db2.gz WAJYKJMAFGESQB-RNJOBUHISA-N 2 0 240.391 1.778 20 0 BDADRP COCC1([NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925603503 634133127 /nfs/dbraw/zinc/13/31/27/634133127.db2.gz NQWPUYHMGKSGHV-WDEREUQCSA-N 2 0 226.364 1.661 20 0 BDADRP C/C=C\C[C@H](CO)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925642176 634189276 /nfs/dbraw/zinc/18/92/76/634189276.db2.gz ROGXIURUVWFVEK-QIOFFNHISA-N 2 0 224.348 1.173 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000931041793 634195806 /nfs/dbraw/zinc/19/58/06/634195806.db2.gz LANOPAMDVNNESK-ZIAGYGMSSA-N 2 0 241.423 1.743 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCn3ccnc3C2)C12CCC2 ZINC000925643426 634196496 /nfs/dbraw/zinc/19/64/96/634196496.db2.gz IMRCISFMKNRCND-TUAOUCFPSA-N 2 0 246.358 1.057 20 0 BDADRP CN(C[C@@H]1CCC[N@@H+]1C)C[C@@]1(C)CCC[NH2+]C1 ZINC000092633414 634197504 /nfs/dbraw/zinc/19/75/04/634197504.db2.gz JWXFMNCSCJZUAF-KBPBESRZSA-N 2 0 239.407 1.402 20 0 BDADRP CC(C)(O)CC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925645827 634201587 /nfs/dbraw/zinc/20/15/87/634201587.db2.gz SHISAMMJEORCLZ-MNOVXSKESA-N 2 0 228.380 1.643 20 0 BDADRP C[C@H](O)CCC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925658410 634221700 /nfs/dbraw/zinc/22/17/00/634221700.db2.gz TUOBVOJEZJBXPD-SRVKXCTJSA-N 2 0 228.380 1.643 20 0 BDADRP C[C@H](O)CCC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925658411 634222875 /nfs/dbraw/zinc/22/28/75/634222875.db2.gz TUOBVOJEZJBXPD-TUAOUCFPSA-N 2 0 228.380 1.643 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@H]1CCCSC1 ZINC000925675635 634263281 /nfs/dbraw/zinc/26/32/81/634263281.db2.gz XPTQMNHWWFQTPH-GHMZBOCLSA-N 2 0 228.405 1.860 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925677641 634270289 /nfs/dbraw/zinc/27/02/89/634270289.db2.gz XJUFBGFNSQCPIC-DDHJBXDOSA-N 2 0 228.380 1.905 20 0 BDADRP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)[C@@H](O)C(F)F ZINC000925677919 634272311 /nfs/dbraw/zinc/27/23/11/634272311.db2.gz AQIRGRSBDOBEEW-SGIHWFKDSA-N 2 0 248.317 1.251 20 0 BDADRP c1cc(C[NH2+]C[C@@H]2CCCO2)c2c(c1)C[NH2+]CC2 ZINC000123914212 634287002 /nfs/dbraw/zinc/28/70/02/634287002.db2.gz QCBTXVALWXDEFR-AWEZNQCLSA-N 2 0 246.354 1.601 20 0 BDADRP CC[C@@H]1OCC[C@H]1[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925686892 634300455 /nfs/dbraw/zinc/30/04/55/634300455.db2.gz XKASFLKNQYZBGU-KXNHARMFSA-N 2 0 224.348 1.413 20 0 BDADRP C[NH2+]CCCN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925687762 634304316 /nfs/dbraw/zinc/30/43/16/634304316.db2.gz AVYINTQJRMJZIS-KGLIPLIRSA-N 2 0 239.407 1.354 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ncc[nH]1 ZINC000925689465 634308207 /nfs/dbraw/zinc/30/82/07/634308207.db2.gz AAIDLAQBPJFQGN-UWVGGRQHSA-N 2 0 208.309 1.060 20 0 BDADRP OCC1(CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925690922 634313964 /nfs/dbraw/zinc/31/39/64/634313964.db2.gz MBAADXWJBNKZBU-GFCCVEGCSA-N 2 0 238.375 1.413 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1NCc1ccc(CC[NH3+])cc1 ZINC000925690962 634316667 /nfs/dbraw/zinc/31/66/67/634316667.db2.gz IFLBDWPFRNFPPU-CQSZACIVSA-N 2 0 247.386 1.418 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H](NC[C@H]2CCC[NH2+]2)C1 ZINC000925691685 634319069 /nfs/dbraw/zinc/31/90/69/634319069.db2.gz JNAYPJGKRDTBBC-IJLUTSLNSA-N 2 0 225.380 1.234 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000925694171 634334806 /nfs/dbraw/zinc/33/48/06/634334806.db2.gz RANWZCZGEDXSRX-POOIEITISA-N 3 0 239.407 1.752 20 0 BDADRP CC1(C)[C@@H](NC[C@@H]([NH3+])C2CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925697013 634356503 /nfs/dbraw/zinc/35/65/03/634356503.db2.gz CVPHQMBTTLZQCW-NDBYEHHHSA-N 2 0 237.391 1.090 20 0 BDADRP CC1(C)[C@@H](NC[C@H]([NH3+])C2CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925697014 634357058 /nfs/dbraw/zinc/35/70/58/634357058.db2.gz CVPHQMBTTLZQCW-VOAKCMCISA-N 2 0 237.391 1.090 20 0 BDADRP CCC([NH3+])(CC)CN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925696824 634358402 /nfs/dbraw/zinc/35/84/02/634358402.db2.gz BFMJUDPQNYGRDS-MNOVXSKESA-N 2 0 225.380 1.363 20 0 BDADRP C[C@]1(CN[C@@H]2C[C@@H]([NH3+])C23CCC3)CCC[NH2+]C1 ZINC000925697580 634360133 /nfs/dbraw/zinc/36/01/33/634360133.db2.gz GTOHXZWTWUMQOH-UPJWGTAASA-N 2 0 237.391 1.236 20 0 BDADRP [NH3+]CCC[C@@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000925698054 634361148 /nfs/dbraw/zinc/36/11/48/634361148.db2.gz HTESZPXUBWJLPQ-UKRRQHHQSA-N 3 0 247.386 1.666 20 0 BDADRP [NH3+]C1(C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)CCC1 ZINC000925699123 634365878 /nfs/dbraw/zinc/36/58/78/634365878.db2.gz NAADWHBGUPYEKU-JHJVBQTASA-N 2 0 238.375 1.663 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000925699270 634366819 /nfs/dbraw/zinc/36/68/19/634366819.db2.gz JUHMGQQUQIYGHW-TUAOUCFPSA-N 2 0 223.364 1.001 20 0 BDADRP CC(C)([NH3+])CN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925699367 634367053 /nfs/dbraw/zinc/36/70/53/634367053.db2.gz OHZKAOZUIPMKDV-ZJUUUORDSA-N 2 0 213.369 1.219 20 0 BDADRP C[C@@H]([NH3+])[C@H](NCC1=CC[NH2+]CC1)c1ccccc1 ZINC000925700101 634368186 /nfs/dbraw/zinc/36/81/86/634368186.db2.gz RKVDCXYMUSOXJW-DOMZBBRYSA-N 2 0 245.370 1.584 20 0 BDADRP CC1(C)C[C@@H]([NH2+]CC2=CC[NH2+]CC2)C[C@@H]([NH3+])C1 ZINC000925700069 634369512 /nfs/dbraw/zinc/36/95/12/634369512.db2.gz REHGFKNEDWHCEW-OLZOCXBDSA-N 3 0 237.391 1.402 20 0 BDADRP [NH3+][C@H]1C[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)C12CCC2 ZINC000925700527 634370891 /nfs/dbraw/zinc/37/08/91/634370891.db2.gz QZJRVJZNOKLZLN-RHYQMDGZSA-N 2 0 223.364 1.116 20 0 BDADRP [NH3+]CCC[C@H]([NH2+]CC1([NH3+])CCC1)c1ccccc1 ZINC000925700624 634370948 /nfs/dbraw/zinc/37/09/48/634370948.db2.gz WAGJXYOMLAVZEK-AWEZNQCLSA-N 3 0 247.386 1.938 20 0 BDADRP C[C@H](C[NH3+])N[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925700860 634371991 /nfs/dbraw/zinc/37/19/91/634371991.db2.gz WZMHMTMOULVQSJ-RTXFEEFZSA-N 2 0 225.380 1.092 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000925771552 635207631 /nfs/dbraw/zinc/20/76/31/635207631.db2.gz BYGBWAWGYZDHDE-AVGNSLFASA-N 2 0 238.375 1.663 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000925772971 635221385 /nfs/dbraw/zinc/22/13/85/635221385.db2.gz LJGVCVQEARKKQU-RVMXOQNASA-N 2 0 226.364 1.804 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CCCO1 ZINC000925774306 635233940 /nfs/dbraw/zinc/23/39/40/635233940.db2.gz MIHCVYPIPSIDOL-UPJWGTAASA-N 2 0 226.364 1.663 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccn(C)n1 ZINC000925791594 635319887 /nfs/dbraw/zinc/31/98/87/635319887.db2.gz BOIPLNIBTSAJBR-IJLUTSLNSA-N 2 0 236.363 1.316 20 0 BDADRP C[NH+]1CCC(CN2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000094449186 635347267 /nfs/dbraw/zinc/34/72/67/635347267.db2.gz NUCIEAGIRDMPPP-CQSZACIVSA-N 2 0 237.391 1.108 20 0 BDADRP C[C@@H]1CCC[C@@H]([NH2+]CCN2CCC([NH3+])CC2)C1 ZINC000925808992 635362454 /nfs/dbraw/zinc/36/24/54/635362454.db2.gz GEFLZQDFXBBVJK-TZMCWYRMSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@H](CC[NH2+]CC1CC[NH+](C)CC1)[S@](C)=O ZINC000229792000 635476534 /nfs/dbraw/zinc/47/65/34/635476534.db2.gz SVRDIPADRTZMNL-BZNIZROVSA-N 2 0 246.420 1.075 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cc(C2CC2)nn1C ZINC000925873045 635588931 /nfs/dbraw/zinc/58/89/31/635588931.db2.gz DXKXXDXYWJYZKK-NXEZZACHSA-N 2 0 236.363 1.513 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc2c1OCC2 ZINC000925873547 635589729 /nfs/dbraw/zinc/58/97/29/635589729.db2.gz BGZLBRGWZRMACP-QWRGUYRKSA-N 2 0 234.343 1.837 20 0 BDADRP C[C@H]([NH2+]C1([C@H]2CCCCO2)CC1)C1C[NH2+]C1 ZINC000925894078 635619130 /nfs/dbraw/zinc/61/91/30/635619130.db2.gz UDDGXDMGIXCULP-CMPLNLGQSA-N 2 0 224.348 1.286 20 0 BDADRP C[C@H]([NH2+]C1([C@@H]2CCCCO2)CC1)C1C[NH2+]C1 ZINC000925894079 635620239 /nfs/dbraw/zinc/62/02/39/635620239.db2.gz UDDGXDMGIXCULP-JQWIXIFHSA-N 2 0 224.348 1.286 20 0 BDADRP C[C@@H]1OCC[C@@H]1CN1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879580872 635867755 /nfs/dbraw/zinc/86/77/55/635867755.db2.gz VGYDEOXNBWNGFS-CRWXNKLISA-N 2 0 238.375 1.437 20 0 BDADRP CO[C@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000054243850 636245176 /nfs/dbraw/zinc/24/51/76/636245176.db2.gz YMQXZMHAZSNRMP-STQMWFEESA-N 2 0 226.364 1.485 20 0 BDADRP CC[C@H](C)[N@H+](C)CCNC(=[NH2+])N[C@@H]1C[C@@H]1C ZINC000864455908 636763619 /nfs/dbraw/zinc/76/36/19/636763619.db2.gz ATNBRVGVCDYDNS-GARJFASQSA-N 2 0 226.368 1.239 20 0 BDADRP COC[C@H](C)C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000897621485 636825312 /nfs/dbraw/zinc/82/53/12/636825312.db2.gz CZNVCFBVHKBOKL-FRRDWIJNSA-N 2 0 226.364 1.152 20 0 BDADRP CC[NH+](CC)CCN[C@H]1CCCC[C@H]1C[NH3+] ZINC000084215528 636875172 /nfs/dbraw/zinc/87/51/72/636875172.db2.gz QFGCKNUITIHDHQ-STQMWFEESA-N 2 0 227.396 1.435 20 0 BDADRP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccnn1C ZINC000322819752 636881854 /nfs/dbraw/zinc/88/18/54/636881854.db2.gz BXDYBPXCWJJUKZ-ODWCKFRGSA-N 2 0 248.374 1.696 20 0 BDADRP Cc1noc(C)c1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000086404882 636887137 /nfs/dbraw/zinc/88/71/37/636887137.db2.gz CMQHABYQKYQMQP-GHMZBOCLSA-N 2 0 223.320 1.651 20 0 BDADRP CC1(C)C[C@@H](O)C[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000866704334 636933868 /nfs/dbraw/zinc/93/38/68/636933868.db2.gz SSVYOGQFPQVMEW-VXGBXAGGSA-N 2 0 226.364 1.079 20 0 BDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)OCCC[NH+](C)C ZINC000923887989 636962567 /nfs/dbraw/zinc/96/25/67/636962567.db2.gz KDUBVCRGFVGXHS-GFCCVEGCSA-N 2 0 242.363 1.354 20 0 BDADRP CC(C)(C)[NH2+]CCN1CC[NH+](CC2CC2)CC1 ZINC000042491056 637273053 /nfs/dbraw/zinc/27/30/53/637273053.db2.gz CEMMGQNHTDYVAU-UHFFFAOYSA-N 2 0 239.407 1.402 20 0 BDADRP C[NH2+]C[C@@H]1CCCCN1CCCCCC[NH3+] ZINC000903529219 637368522 /nfs/dbraw/zinc/36/85/22/637368522.db2.gz PTXNBFSZQSMZJH-ZDUSSCGKSA-N 3 0 227.396 1.579 20 0 BDADRP CCCC[N@H+](CC)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903719079 637376916 /nfs/dbraw/zinc/37/69/16/637376916.db2.gz VARZPXGGQFDFOA-UONOGXRCSA-N 2 0 240.391 1.877 20 0 BDADRP CC[N@H+](C[C@H]1CCOC1)C[C@H]1CCCC[NH2+]C1 ZINC000903722110 637380223 /nfs/dbraw/zinc/38/02/23/637380223.db2.gz HEUQIPQHDWKWPX-UONOGXRCSA-N 2 0 240.391 1.735 20 0 BDADRP C[NH2+]CCN(C[C@@H]1CCCC[NH2+]C1)C(C)C ZINC000903787472 637381955 /nfs/dbraw/zinc/38/19/55/637381955.db2.gz XCWSHVOSKJWSCE-CYBMUJFWSA-N 2 0 227.396 1.306 20 0 BDADRP CC(C)(C[NH3+])C1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000903788647 637382019 /nfs/dbraw/zinc/38/20/19/637382019.db2.gz BZJAQWOWUWZYIY-GFCCVEGCSA-N 3 0 239.407 1.293 20 0 BDADRP O[C@@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C[C@H]1F ZINC000903841590 637385285 /nfs/dbraw/zinc/38/52/85/637385285.db2.gz YJHJBEJYKIRYSM-CHWSQXEVSA-N 2 0 244.354 1.171 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+]Cc2cncc(O)c2)CC[NH2+]1 ZINC000904433317 637401115 /nfs/dbraw/zinc/40/11/15/637401115.db2.gz LFCORPMGYCAMFA-MNOVXSKESA-N 2 0 235.331 1.265 20 0 BDADRP C[C@@H]([NH2+]C1CC(C[NH3+])C1)c1cncs1 ZINC000904470278 637422587 /nfs/dbraw/zinc/42/25/87/637422587.db2.gz WSBAXIVHTYLLOX-AFPNSQJFSA-N 2 0 211.334 1.531 20 0 BDADRP CC(C)([NH3+])c1ccc(N[C@@H]2CC[NH2+]C2)cc1 ZINC000904475062 637424729 /nfs/dbraw/zinc/42/47/29/637424729.db2.gz HLJKRJVSJJTIGF-GFCCVEGCSA-N 2 0 219.332 1.654 20 0 BDADRP CSCC(C)(C)[NH2+]CC1CC[NH2+]CC1 ZINC000904475050 637424819 /nfs/dbraw/zinc/42/48/19/637424819.db2.gz HJEFRUXNJSDHRP-UHFFFAOYSA-N 2 0 216.394 1.717 20 0 BDADRP C([NH2+][C@@H]1COC[C@H]1C1CC1)C1CC[NH2+]CC1 ZINC000904475811 637424909 /nfs/dbraw/zinc/42/49/09/637424909.db2.gz MRMSDMKKAOFFOB-QWHCGFSZSA-N 2 0 224.348 1.001 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000904917425 637524826 /nfs/dbraw/zinc/52/48/26/637524826.db2.gz LZFCPMRLKHCJCM-LOWVWBTDSA-N 2 0 241.379 1.090 20 0 BDADRP CC(C)N(C)Cc1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000905059895 637593115 /nfs/dbraw/zinc/59/31/15/637593115.db2.gz YEQNUJLSQQWWSD-GFCCVEGCSA-N 2 0 237.351 1.043 20 0 BDADRP C[C@H]([NH2+]C[C@@](C)(O)C(F)F)C1=CC[N@H+](C)CC1 ZINC000905202201 637694548 /nfs/dbraw/zinc/69/45/48/637694548.db2.gz GFVBYGGXPDCHNF-JOYOIKCWSA-N 2 0 248.317 1.243 20 0 BDADRP O[C@H](C[NH2+][C@@H]1C[C@H]2CCC[C@@H]21)C[NH+]1CCCC1 ZINC000905665040 637875126 /nfs/dbraw/zinc/87/51/26/637875126.db2.gz GGIWRQUBKUTUAH-YIYPIFLZSA-N 2 0 238.375 1.221 20 0 BDADRP CSc1ccc(C[NH2+]C2CC([NH3+])C2)cc1 ZINC000906510754 638184009 /nfs/dbraw/zinc/18/40/09/638184009.db2.gz VCLVVDDBXGQSAN-UHFFFAOYSA-N 2 0 222.357 1.988 20 0 BDADRP [NH3+]C1CC([NH2+]Cc2ccc3c[nH]nc3c2)C1 ZINC000906510726 638184298 /nfs/dbraw/zinc/18/42/98/638184298.db2.gz SMYFBVSSOXWPSW-UHFFFAOYSA-N 2 0 216.288 1.142 20 0 BDADRP CN(CCC[NH+]1CCCC1)CCOC1CC1 ZINC000930310748 639695642 /nfs/dbraw/zinc/69/56/42/639695642.db2.gz NSMXONAYTWBQPW-UHFFFAOYSA-N 2 0 226.364 1.583 20 0 BDADRP C[NH2+]CCCCC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000911684056 639725201 /nfs/dbraw/zinc/72/52/01/639725201.db2.gz LEGDTPFGSFKQNY-NWDGAFQWSA-N 2 0 241.379 1.104 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000911713444 639738841 /nfs/dbraw/zinc/73/88/41/639738841.db2.gz ICTLMSLROVVJES-RYUDHWBXSA-N 2 0 241.379 1.008 20 0 BDADRP C[NH2+]CCCCC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000911765418 639790774 /nfs/dbraw/zinc/79/07/74/639790774.db2.gz UTDIYOVHYIYPKG-CYBMUJFWSA-N 2 0 249.358 1.192 20 0 BDADRP C[N@@H+]1CCC[C@]2(CC[NH+](CCOC3CC3)C2)C1 ZINC000930575766 639812903 /nfs/dbraw/zinc/81/29/03/639812903.db2.gz DOXHTRDVDXRMLF-AWEZNQCLSA-N 2 0 238.375 1.583 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)C2(N(C)C)CC2)cc1 ZINC000911843940 639838276 /nfs/dbraw/zinc/83/82/76/639838276.db2.gz CFVAXJPSVGISGB-JTQLQIEISA-N 2 0 247.342 1.739 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)C[C@@H]([NH3+])CC(C)C ZINC000911858914 639849878 /nfs/dbraw/zinc/84/98/78/639849878.db2.gz XDUCQQZRCDFISH-NSHDSACASA-N 2 0 243.395 1.384 20 0 BDADRP CN(C(=O)CC(C)(C)C[NH3+])C1CCC([NH3+])CC1 ZINC000911865019 639852305 /nfs/dbraw/zinc/85/23/05/639852305.db2.gz PSCLWGSRKVGNQG-UHFFFAOYSA-N 2 0 241.379 1.090 20 0 BDADRP CN(CC(C)(C)C[NH3+])C(=O)c1ccccc1C[NH3+] ZINC000911864643 639852335 /nfs/dbraw/zinc/85/23/35/639852335.db2.gz LODWGNMOOFOIKC-UHFFFAOYSA-N 2 0 249.358 1.202 20 0 BDADRP C[NH2+]CCCCC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000911872350 639854509 /nfs/dbraw/zinc/85/45/09/639854509.db2.gz YJJKZLNABZOCTQ-LBPRGKRZSA-N 2 0 243.395 1.208 20 0 BDADRP COCCCC[N@@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931310180 640146470 /nfs/dbraw/zinc/14/64/70/640146470.db2.gz JCDXHRCPSMPCRY-OKILXGFUSA-N 2 0 240.391 1.687 20 0 BDADRP CCOCCN1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931310285 640147991 /nfs/dbraw/zinc/14/79/91/640147991.db2.gz XVBZLAYXVRBZTJ-CHWSQXEVSA-N 2 0 226.364 1.297 20 0 BDADRP CC[C@H](CO)[NH+]1C[C@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931316228 640155453 /nfs/dbraw/zinc/15/54/53/640155453.db2.gz HSRLQYJNLPTAPQ-AGIUHOORSA-N 2 0 226.364 1.031 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CCCOC3)C[C@@H]2C1 ZINC000931435130 640203540 /nfs/dbraw/zinc/20/35/40/640203540.db2.gz HIANKQXXXSLMBT-MCIONIFRSA-N 2 0 238.375 1.297 20 0 BDADRP C[C@H](C1CC1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931442177 640208992 /nfs/dbraw/zinc/20/89/92/640208992.db2.gz WXQMCOAFURFBBD-KGYLQXTDSA-N 2 0 208.349 1.668 20 0 BDADRP CC[C@@H](CO)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000931466899 640227547 /nfs/dbraw/zinc/22/75/47/640227547.db2.gz GITHSINTYYNEPG-ZDUSSCGKSA-N 2 0 240.391 1.565 20 0 BDADRP C[N@@H+]1CC[C@@H]2CN(CCOC3CC3)CC[C@@H]21 ZINC000931548282 640265614 /nfs/dbraw/zinc/26/56/14/640265614.db2.gz XXXFOQYURXEDJO-YPMHNXCESA-N 2 0 224.348 1.191 20 0 BDADRP C[NH+](C)C1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000036192433 640403161 /nfs/dbraw/zinc/40/31/61/640403161.db2.gz DMSZQRAODAAIGW-GFCCVEGCSA-N 2 0 225.380 1.012 20 0 BDADRP C[N@H+](C[C@@H]1CCCCO1)C1CCC([NH3+])CC1 ZINC000055144510 640438925 /nfs/dbraw/zinc/43/89/25/640438925.db2.gz OVNYSXASBLRYHL-BPCQOVAHSA-N 2 0 226.364 1.757 20 0 BDADRP [NH3+]C1CCC([NH2+]C[C@@H]2CCSC2)CC1 ZINC000224413226 640620184 /nfs/dbraw/zinc/62/01/84/640620184.db2.gz YIEOJSPFAWQHPI-WHXUTIOJSA-N 2 0 214.378 1.599 20 0 BDADRP C[N@H+](CCCn1ccnc1)Cc1cccc(=O)[nH]1 ZINC000933398876 640713541 /nfs/dbraw/zinc/71/35/41/640713541.db2.gz NJUQVCLZQRWKCR-UHFFFAOYSA-N 2 0 246.314 1.506 20 0 BDADRP CC(C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000226072697 640724667 /nfs/dbraw/zinc/72/46/67/640724667.db2.gz GRMILDFQIMCGRW-UTUOFQBUSA-N 2 0 214.353 1.253 20 0 BDADRP Cc1nc(CC[NH2+][C@H]2CCC[NH2+]CC2)cs1 ZINC000226313439 640745175 /nfs/dbraw/zinc/74/51/75/640745175.db2.gz GTGQABQOGKMMLP-NSHDSACASA-N 2 0 239.388 1.726 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+]C1CCS(=O)CC1 ZINC000226333064 640747273 /nfs/dbraw/zinc/74/72/73/640747273.db2.gz QVHKILZSOITOSH-UHFFFAOYSA-N 2 0 246.420 1.217 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCC[NH2+]CC2)CC1 ZINC000226344813 640750508 /nfs/dbraw/zinc/75/05/08/640750508.db2.gz NXRWYBYUBVJKJN-ZDUSSCGKSA-N 3 0 239.407 1.450 20 0 BDADRP C[N@@H+]1C[C@@H]2C[NH+](CC[C@H]3CCOC3)C[C@]2(C)C1 ZINC000933734127 640758387 /nfs/dbraw/zinc/75/83/87/640758387.db2.gz PAPNMZGYYFKOJA-MJBXVCDLSA-N 2 0 238.375 1.297 20 0 BDADRP C[C@H]1C[C@@H]1C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933734104 640758918 /nfs/dbraw/zinc/75/89/18/640758918.db2.gz LOTAKYIYZDWTOJ-QNWHQSFQSA-N 2 0 208.349 1.526 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC000227131010 640817100 /nfs/dbraw/zinc/81/71/00/640817100.db2.gz UEURGYLKTMELGZ-BFHYXJOUSA-N 2 0 234.343 1.437 20 0 BDADRP CS[C@H](CO)[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000228327269 640870439 /nfs/dbraw/zinc/87/04/39/640870439.db2.gz KYZRBKYIUIVPBV-ZYHUDNBSSA-N 2 0 246.420 1.030 20 0 BDADRP C[NH2+]CCC[N@H+](C)CCCCCCO ZINC000229306738 640944244 /nfs/dbraw/zinc/94/42/44/640944244.db2.gz FFEGGBLVHQZELM-UHFFFAOYSA-N 2 0 202.342 1.080 20 0 BDADRP CCOC[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000087646993 640955390 /nfs/dbraw/zinc/95/53/90/640955390.db2.gz AWCQCFXGSALNAL-MNOVXSKESA-N 2 0 200.326 1.001 20 0 BDADRP CCOC[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000087646988 640956418 /nfs/dbraw/zinc/95/64/18/640956418.db2.gz AWCQCFXGSALNAL-GHMZBOCLSA-N 2 0 200.326 1.001 20 0 BDADRP CO[C@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000230315710 641047752 /nfs/dbraw/zinc/04/77/52/641047752.db2.gz RZDXTAGHZWAMMM-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+]CC1CC[NH+](C)CC1 ZINC000230499117 641060046 /nfs/dbraw/zinc/06/00/46/641060046.db2.gz JBPMGWHWPJOAON-CQSZACIVSA-N 2 0 242.407 1.715 20 0 BDADRP CO[C@@H]1CC[C@@H]1[N@H+](C)CCC[NH+]1CCCCC1 ZINC000934119609 641082180 /nfs/dbraw/zinc/08/21/80/641082180.db2.gz XSUPHLNALRFLKJ-UONOGXRCSA-N 2 0 240.391 1.972 20 0 BDADRP C[C@]1(C[NH2+]C[C@@H]2CCCCO2)CCC[NH2+]C1 ZINC000062862861 641100163 /nfs/dbraw/zinc/10/01/63/641100163.db2.gz LTTXGWPKMBSDAC-STQMWFEESA-N 2 0 226.364 1.535 20 0 BDADRP CC[NH+](CC)[C@@H]1CCN(c2cc[nH+]c(CO)c2)C1 ZINC000062967498 641110890 /nfs/dbraw/zinc/11/08/90/641110890.db2.gz KEXQNZMGQDSKHW-CQSZACIVSA-N 2 0 249.358 1.494 20 0 BDADRP CC[NH+](CC)[C@H]1CCN(c2cc[nH+]c(CO)c2)C1 ZINC000062967499 641111877 /nfs/dbraw/zinc/11/18/77/641111877.db2.gz KEXQNZMGQDSKHW-AWEZNQCLSA-N 2 0 249.358 1.494 20 0 BDADRP CC[C@H](O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063200401 641144105 /nfs/dbraw/zinc/14/41/05/641144105.db2.gz VMOOEYNWVAVZOE-STQMWFEESA-N 2 0 226.364 1.221 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@H]1C[NH3+])c1ccncc1 ZINC000088169917 641321084 /nfs/dbraw/zinc/32/10/84/641321084.db2.gz GUFDBIKPXNLDRX-DRZSPHRISA-N 2 0 219.332 1.860 20 0 BDADRP CC(C)C1(C[NH2+][C@H](C)C[C@@H]2COCCN2)CC1 ZINC000232723058 641388177 /nfs/dbraw/zinc/38/81/77/641388177.db2.gz RKGVBDHLTHKTQP-CHWSQXEVSA-N 2 0 240.391 1.779 20 0 BDADRP CC[C@H](CO)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000929695175 641401128 /nfs/dbraw/zinc/40/11/28/641401128.db2.gz GDJHPRSMYIERGH-CHWSQXEVSA-N 2 0 226.364 1.175 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H]2COCC2(C)C)CC1 ZINC000313094818 641531558 /nfs/dbraw/zinc/53/15/58/641531558.db2.gz CYQFNEQUHPLHCU-ZDUSSCGKSA-N 2 0 240.391 1.733 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2COCC2(C)C)C1 ZINC000313140419 641534904 /nfs/dbraw/zinc/53/49/04/641534904.db2.gz QKWPVRNTPZZPLO-NEPJUHHUSA-N 2 0 226.364 1.343 20 0 BDADRP C[C@H](CNC(=O)CCCCC[NH3+])[N@H+](C)C1CC1 ZINC000155649650 641577027 /nfs/dbraw/zinc/57/70/27/641577027.db2.gz IPDJNUXTULMFOC-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@@H]([NH2+]CCCCCC[NH3+])[C@H]1CCOC1 ZINC000158609389 641641041 /nfs/dbraw/zinc/64/10/41/641641041.db2.gz HRBLFQSCCJDGGY-NEPJUHHUSA-N 2 0 214.353 1.520 20 0 BDADRP CC(C)OCC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000158927527 641658450 /nfs/dbraw/zinc/65/84/50/641658450.db2.gz PYCRPELDNVZWJL-QWRGUYRKSA-N 2 0 200.326 1.128 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)CCCCC[NH3+] ZINC000154133217 641967414 /nfs/dbraw/zinc/96/74/14/641967414.db2.gz OKRDDRHTLAUFKS-NEPJUHHUSA-N 2 0 241.379 1.234 20 0 BDADRP C[NH+](C)CC(C)(C)C[NH2+]Cc1cc[nH]c(=O)c1 ZINC000921470728 642621147 /nfs/dbraw/zinc/62/11/47/642621147.db2.gz KVXCBINSERTKLR-UHFFFAOYSA-N 2 0 237.347 1.465 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+]CC(C)(C)[NH3+])C1(C)C ZINC000233758462 642691183 /nfs/dbraw/zinc/69/11/83/642691183.db2.gz IPQFVCPWIVBNNA-UWVGGRQHSA-N 2 0 214.353 1.517 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCCC(C)(C)C1 ZINC000069794567 642907186 /nfs/dbraw/zinc/90/71/86/642907186.db2.gz BSGZGLFKSCEOQL-NEPJUHHUSA-N 2 0 210.365 1.964 20 0 BDADRP C[C@H]1CC[N@H+](CCc2cncn2C)CCO1 ZINC000932334954 643121901 /nfs/dbraw/zinc/12/19/01/643121901.db2.gz IICBXVIFQRLMEC-NSHDSACASA-N 2 0 223.320 1.073 20 0 BDADRP COC[C@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000081066148 643192569 /nfs/dbraw/zinc/19/25/69/643192569.db2.gz LQJPUJSOSAMYRN-STQMWFEESA-N 2 0 226.364 1.344 20 0 BDADRP C[N@H+](CCCCCC[NH3+])C[C@@H]1CCCOC1 ZINC000082545735 643340384 /nfs/dbraw/zinc/34/03/84/643340384.db2.gz VOOWHGRQHJACKQ-ZDUSSCGKSA-N 2 0 228.380 1.864 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](Cc2cccs2)C1 ZINC000082952630 643390207 /nfs/dbraw/zinc/39/02/07/643390207.db2.gz OCLVCFJWICUIOD-JTQLQIEISA-N 2 0 210.346 1.919 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc[nH]c(=O)c2)C1 ZINC000921580679 643613043 /nfs/dbraw/zinc/61/30/43/643613043.db2.gz FPVIZJXWTSZWPK-CYBMUJFWSA-N 2 0 249.358 1.609 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000084221290 643649989 /nfs/dbraw/zinc/64/99/89/643649989.db2.gz DSDYVOROMGPDCT-XQQFMLRXSA-N 2 0 227.396 1.434 20 0 BDADRP C[C@@H]1C[C@@H](C)[N@H+](CCCCCC[NH3+])C[C@@H]1C[NH3+] ZINC000846222445 643650292 /nfs/dbraw/zinc/65/02/92/643650292.db2.gz CTTNEWAQPHSHPG-MCIONIFRSA-N 3 0 241.423 1.811 20 0 BDADRP CCOC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000084216539 643651713 /nfs/dbraw/zinc/65/17/13/643651713.db2.gz AQCAWDUZUOJUBD-QJPTWQEYSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CCCO1 ZINC000084385785 643660129 /nfs/dbraw/zinc/66/01/29/643660129.db2.gz ZSCGDHLMPDFEAZ-NEPJUHHUSA-N 2 0 212.337 1.097 20 0 BDADRP CCOCC[N@H+](C)CCCCCC[NH3+] ZINC000087977856 643692213 /nfs/dbraw/zinc/69/22/13/643692213.db2.gz BXFNVUNDQNIWJY-UHFFFAOYSA-N 2 0 202.342 1.474 20 0 BDADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)CC(C)(C)[NH3+])C1 ZINC000237045254 643695279 /nfs/dbraw/zinc/69/52/79/643695279.db2.gz PVEWVBZZJCSQSU-MNOVXSKESA-N 2 0 241.379 1.103 20 0 BDADRP CCCC[C@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000086206460 643952169 /nfs/dbraw/zinc/95/21/69/643952169.db2.gz HSNDIHLUGWJRJY-LBPRGKRZSA-N 2 0 227.396 1.578 20 0 BDADRP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]C1CCC([NH3+])CC1 ZINC000086496121 644142679 /nfs/dbraw/zinc/14/26/79/644142679.db2.gz GUCHPOYAFVGROZ-WTIISPKJSA-N 3 0 225.380 1.377 20 0 BDADRP CC(C)CC[C@@H](O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000923279018 644312517 /nfs/dbraw/zinc/31/25/17/644312517.db2.gz AIMPPMGCONWAMI-CYBMUJFWSA-N 2 0 228.380 1.467 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@H](O)CCC(C)C)C1 ZINC000923280555 644314285 /nfs/dbraw/zinc/31/42/85/644314285.db2.gz BOMXGPHNQKFSLG-UONOGXRCSA-N 2 0 242.407 1.715 20 0 BDADRP Cc1ccc([C@H](O)C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC000923280803 644316143 /nfs/dbraw/zinc/31/61/43/644316143.db2.gz JISHERCBPKEAOO-OAHLLOKOSA-N 2 0 248.370 1.699 20 0 BDADRP CCc1ncc(C[NH+]2CCC(C[NH2+]C)CC2)o1 ZINC000923291328 644318112 /nfs/dbraw/zinc/31/81/12/644318112.db2.gz QCMAPAAWNRHFIW-UHFFFAOYSA-N 2 0 237.347 1.668 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](C[C@H](O)CCc2ccccc2)C1 ZINC000923282633 644318618 /nfs/dbraw/zinc/31/86/18/644318618.db2.gz XNEKVDSUQRXCCW-HUUCEWRRSA-N 2 0 248.370 1.261 20 0 BDADRP CCCCCC[C@H](O)C[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000923288741 644324245 /nfs/dbraw/zinc/32/42/45/644324245.db2.gz CEFJUKNVQGSCEX-KBPBESRZSA-N 2 0 242.407 1.859 20 0 BDADRP C[C@@H]1CCCN(CCC[NH2+]C2CC2)[C@@H]1C[NH3+] ZINC000923290245 644324347 /nfs/dbraw/zinc/32/43/47/644324347.db2.gz WQRYJQQTPPCWJJ-DGCLKSJQSA-N 2 0 225.380 1.188 20 0 BDADRP C([C@@H]1CC2(C[NH2+]C2)CO1)[NH+]1CCCCCC1 ZINC000923299967 644326324 /nfs/dbraw/zinc/32/63/24/644326324.db2.gz KHRHVTXYZCIQPJ-LBPRGKRZSA-N 2 0 224.348 1.241 20 0 BDADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923300084 644326483 /nfs/dbraw/zinc/32/64/83/644326483.db2.gz NQXBTPRJXNFACZ-VXGBXAGGSA-N 2 0 224.348 1.239 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(C)cc2)C1 ZINC000923290967 644326503 /nfs/dbraw/zinc/32/65/03/644326503.db2.gz PSNHWMXEMYKGLG-DZGCQCFKSA-N 2 0 248.370 1.570 20 0 BDADRP C[C@@H](CN)[N@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923292444 644328307 /nfs/dbraw/zinc/32/83/07/644328307.db2.gz YDGCJTGYZFRZKC-WODVXLOZSA-N 2 0 225.380 1.186 20 0 BDADRP NC[C@H]1CCC[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923293111 644329828 /nfs/dbraw/zinc/32/98/28/644329828.db2.gz NLVHRGNAHBADLI-WTUNAVPPSA-N 2 0 237.391 1.330 20 0 BDADRP [NH3+]C[C@@H]1CCCN1C[C@@H](O)Cc1ccccc1 ZINC000923293613 644330671 /nfs/dbraw/zinc/33/06/71/644330671.db2.gz ZGWCDUXOAKFCQX-KBPBESRZSA-N 2 0 234.343 1.013 20 0 BDADRP C[C@@](C[NH3+])([NH2+]C[C@@H](O)CC(F)(F)F)C1CC1 ZINC000923296409 644334506 /nfs/dbraw/zinc/33/45/06/644334506.db2.gz RKUQQEGQYDMICD-IUCAKERBSA-N 2 0 240.269 1.017 20 0 BDADRP CCOCCOCC[NH2+][C@](C)(C[NH3+])C(C)C ZINC000923296176 644334667 /nfs/dbraw/zinc/33/46/67/644334667.db2.gz OKTJGRZDGGGRFS-GFCCVEGCSA-N 2 0 232.368 1.003 20 0 BDADRP CC(C)[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923307994 644337922 /nfs/dbraw/zinc/33/79/22/644337922.db2.gz YOYIWIXEIVEKAK-GFCCVEGCSA-N 2 0 224.348 1.238 20 0 BDADRP CC[C@@H](C)C[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923312284 644340291 /nfs/dbraw/zinc/34/02/91/644340291.db2.gz DCGHZNKEAQFFPT-NEPJUHHUSA-N 2 0 226.364 1.343 20 0 BDADRP CC[C@H]1CCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923309059 644346311 /nfs/dbraw/zinc/34/63/11/644346311.db2.gz IXLYECFVRJYRIK-RYUDHWBXSA-N 2 0 224.348 1.239 20 0 BDADRP [NH3+]C1(C[NH2+]C[C@H](O)CC2CCCC2)CCC1 ZINC000923331170 644350416 /nfs/dbraw/zinc/35/04/16/644350416.db2.gz LGTSRSLFIRJKNR-GFCCVEGCSA-N 2 0 226.364 1.399 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCC[NH2+]C3CC3)C[C@H]21 ZINC000923330701 644350666 /nfs/dbraw/zinc/35/06/66/644350666.db2.gz CEPGNAFHQXUFHS-IACUBPJLSA-N 3 0 237.391 1.188 20 0 BDADRP c1cnn(C[C@H]2CCC[N@H+]2CCC[NH2+]C2CC2)c1 ZINC000923322488 644352155 /nfs/dbraw/zinc/35/21/55/644352155.db2.gz LUJWADDRNCYCAU-CQSZACIVSA-N 2 0 248.374 1.490 20 0 BDADRP C[C@H]1[C@H]([NH3+])CCN1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923354980 644372932 /nfs/dbraw/zinc/37/29/32/644372932.db2.gz XRBWOBTZYZXKMH-APYLGABCSA-N 2 0 237.391 1.329 20 0 BDADRP CC[C@H](O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000923363589 644375721 /nfs/dbraw/zinc/37/57/21/644375721.db2.gz DAYNGBZGFZTYMS-AGIUHOORSA-N 2 0 226.364 1.221 20 0 BDADRP CC(C)(C)[C@H](C[NH3+])NCCC[NH2+]C1CC1 ZINC000923366906 644377315 /nfs/dbraw/zinc/37/73/15/644377315.db2.gz ASGWQFKHELMJBR-NSHDSACASA-N 2 0 213.369 1.092 20 0 BDADRP CC[C@H](O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000923360326 644384350 /nfs/dbraw/zinc/38/43/50/644384350.db2.gz ZZXBQIMSCGUNLP-MCIONIFRSA-N 2 0 240.391 1.469 20 0 BDADRP C(CN1CC[C@@H]2C[NH2+]C[C@@H]21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923362351 644386448 /nfs/dbraw/zinc/38/64/48/644386448.db2.gz XHLDOFGHGJPVRP-IWNKAIHXSA-N 2 0 249.402 1.201 20 0 BDADRP c1cn([C@@H]2CCCN(CCC[NH2+]C3CC3)C2)nn1 ZINC000923383421 644396855 /nfs/dbraw/zinc/39/68/55/644396855.db2.gz ZRNUXCBWBROVLY-CYBMUJFWSA-N 2 0 249.362 1.057 20 0 BDADRP C[C@@H]1C[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@@H](C)C1(F)F ZINC000923398622 644404027 /nfs/dbraw/zinc/40/40/27/644404027.db2.gz MHLLFVZYWVISIP-UVOCVTCTSA-N 2 0 248.317 1.060 20 0 BDADRP CC(C)[C@@H]1C[NH2+]CCN1CCC[NH2+]C1CC1 ZINC000923397595 644404246 /nfs/dbraw/zinc/40/42/46/644404246.db2.gz DCBWGOJTCJBQOC-ZDUSSCGKSA-N 2 0 225.380 1.058 20 0 BDADRP CC(C)CC[C@H](O)C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000923410392 644412118 /nfs/dbraw/zinc/41/21/18/644412118.db2.gz GLKWHALVTNFDBQ-AVGNSLFASA-N 2 0 228.380 1.310 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CN1C[C@@H](O)CCc1ccccc1 ZINC000923411202 644412379 /nfs/dbraw/zinc/41/23/79/644412379.db2.gz ACUREGUPRYYZJU-YUELXQCFSA-N 2 0 248.370 1.402 20 0 BDADRP Cc1ccc([C@H](O)C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000923413191 644417525 /nfs/dbraw/zinc/41/75/25/644417525.db2.gz UPKBSCVMWONHMW-NWANDNLSSA-N 2 0 248.370 1.555 20 0 BDADRP CC[NH+]1CCC(N[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000084220330 644421521 /nfs/dbraw/zinc/42/15/21/644421521.db2.gz SRMXHVVMPIANOE-YPMHNXCESA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@H]1[C@H](C)NC[C@H](C)[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000923437501 644424427 /nfs/dbraw/zinc/42/44/27/644424427.db2.gz SLGUGECBYCAQPS-IGQOVBAYSA-N 2 0 239.407 1.447 20 0 BDADRP C[C@@H]1[C@H](C)NC[C@H](C)[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000923437500 644425419 /nfs/dbraw/zinc/42/54/19/644425419.db2.gz SLGUGECBYCAQPS-FQUUOJAGSA-N 2 0 239.407 1.447 20 0 BDADRP CC(C)[C@@H](C)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923445549 644429877 /nfs/dbraw/zinc/42/98/77/644429877.db2.gz KGLSIPNDGITUKP-CHWSQXEVSA-N 2 0 240.391 1.861 20 0 BDADRP C[C@@H]1[C@H](C)NC[C@H](C)[N@H+]1CCC1CC[NH2+]CC1 ZINC000923438441 644431840 /nfs/dbraw/zinc/43/18/40/644431840.db2.gz ZGMYYAHJMDCXKF-RWMBFGLXSA-N 2 0 239.407 1.447 20 0 BDADRP CCC[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923442471 644433511 /nfs/dbraw/zinc/43/35/11/644433511.db2.gz QIVPILFAGKWWBY-NSHDSACASA-N 2 0 212.337 1.226 20 0 BDADRP CCc1noc([C@@H](C)[N@@H+]2CC[C@H](CC[NH3+])C2)n1 ZINC000923486327 644456709 /nfs/dbraw/zinc/45/67/09/644456709.db2.gz PSHOLVJSAVYHAB-ZJUUUORDSA-N 2 0 238.335 1.364 20 0 BDADRP CN1CCC[C@@H]1C[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000086189387 644457711 /nfs/dbraw/zinc/45/77/11/644457711.db2.gz FPASCJKSGOYHLY-FRRDWIJNSA-N 2 0 225.380 1.140 20 0 BDADRP CCc1nocc1C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923495161 644462091 /nfs/dbraw/zinc/46/20/91/644462091.db2.gz UQSFFYIFNFYUEG-GHMZBOCLSA-N 2 0 237.347 1.654 20 0 BDADRP CCc1nocc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923495163 644462886 /nfs/dbraw/zinc/46/28/86/644462886.db2.gz UQSFFYIFNFYUEG-QWRGUYRKSA-N 2 0 237.347 1.654 20 0 BDADRP CCOC(=O)[C@H](CC)[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923496345 644463351 /nfs/dbraw/zinc/46/33/51/644463351.db2.gz HMVDQEBVHKXWBM-TUAOUCFPSA-N 2 0 242.363 1.245 20 0 BDADRP Cc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c(C)nn1 ZINC000923490569 644465174 /nfs/dbraw/zinc/46/51/74/644465174.db2.gz DNLNAHJCOMEJAH-MFKMUULPSA-N 2 0 248.374 1.510 20 0 BDADRP C[C@@H]1C[N@H+](CCOC(F)F)CC[C@H]1C[NH3+] ZINC000923490317 644465755 /nfs/dbraw/zinc/46/57/55/644465755.db2.gz MTXGLYDQUNKYHR-BDAKNGLRSA-N 2 0 222.279 1.142 20 0 BDADRP C[C@H]1C[N@H+](Cc2coc(C3CC3)n2)CC[C@H]1C[NH3+] ZINC000923492626 644468408 /nfs/dbraw/zinc/46/84/08/644468408.db2.gz YATVIFPPBOBGQK-JQWIXIFHSA-N 2 0 249.358 1.969 20 0 BDADRP C[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)CC[C@@H]1C[NH3+] ZINC000923502025 644469410 /nfs/dbraw/zinc/46/94/10/644469410.db2.gz WBJOGBJGEHZXCE-TZMCWYRMSA-N 3 0 239.407 1.293 20 0 BDADRP C[C@H]1C[N@H+](CCOC2CC2)CC[C@@H]1C[NH3+] ZINC000923494142 644469824 /nfs/dbraw/zinc/46/98/24/644469824.db2.gz VWSVTDASHBKGGH-WDEREUQCSA-N 2 0 212.337 1.082 20 0 BDADRP Cc1noc([C@H](C)[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)n1 ZINC000923498795 644471875 /nfs/dbraw/zinc/47/18/75/644471875.db2.gz LPVDSHWCIUJCCC-WCABBAIRSA-N 2 0 238.335 1.356 20 0 BDADRP CCc1cnc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)o1 ZINC000923499450 644472560 /nfs/dbraw/zinc/47/25/60/644472560.db2.gz KXOPQQIMSMXOOE-MNOVXSKESA-N 2 0 237.347 1.654 20 0 BDADRP CCCOC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923500658 644472750 /nfs/dbraw/zinc/47/27/50/644472750.db2.gz WMEUAVJCCBXQQI-SDDRHHMPSA-N 2 0 242.363 1.245 20 0 BDADRP CCCOC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923500661 644474106 /nfs/dbraw/zinc/47/41/06/644474106.db2.gz WMEUAVJCCBXQQI-WOPDTQHZSA-N 2 0 242.363 1.245 20 0 BDADRP C[C@@H](c1ccccn1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516832 644479027 /nfs/dbraw/zinc/47/90/27/644479027.db2.gz UMVUBRFVAMSVAL-RWMBFGLXSA-N 2 0 231.343 1.684 20 0 BDADRP C[C@H]1CC[C@@H](C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)O1 ZINC000923515084 644479192 /nfs/dbraw/zinc/47/91/92/644479192.db2.gz CNTRSWCCAVRNNT-RVMXOQNASA-N 2 0 224.348 1.095 20 0 BDADRP CC(C)C[C@H]1C[N@H+](C)CCN1C[C@H]1CCC[NH2+]1 ZINC000923554713 644497579 /nfs/dbraw/zinc/49/75/79/644497579.db2.gz OLMKIYZZYSDUMB-KGLIPLIRSA-N 2 0 239.407 1.401 20 0 BDADRP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000089150225 644536955 /nfs/dbraw/zinc/53/69/55/644536955.db2.gz QUOUDLOVKUPYAM-QJPTWQEYSA-N 2 0 241.379 1.008 20 0 BDADRP C(C[N@@H+]1CCO[C@H]2CCCC[C@H]21)[C@@H]1CC[NH2+]C1 ZINC000089749317 644564849 /nfs/dbraw/zinc/56/48/49/644564849.db2.gz GBAISRMOYHXHFL-MJBXVCDLSA-N 2 0 238.375 1.629 20 0 BDADRP C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C[C@H]1CCCCO1 ZINC000250434400 644757482 /nfs/dbraw/zinc/75/74/82/644757482.db2.gz RTNQAFUVTPQUBR-FRRDWIJNSA-N 2 0 226.364 1.615 20 0 BDADRP C[N@H+](C[C@H]1CCCO1)C[C@]1(C)CCC[NH2+]C1 ZINC000250792930 644780006 /nfs/dbraw/zinc/78/00/06/644780006.db2.gz KEJPGBWGEZWQIG-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)CC[C@H]1[NH3+] ZINC000251563659 644810109 /nfs/dbraw/zinc/81/01/09/644810109.db2.gz BPHLACHCHZATFF-BPLDGKMQSA-N 2 0 248.370 1.779 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cnc([C@H](C)O)s1 ZINC000843128199 644853788 /nfs/dbraw/zinc/85/37/88/644853788.db2.gz ILNYXEXCSBLPCJ-YIZRAAEISA-N 2 0 243.376 1.412 20 0 BDADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)c1cccc(C[NH3+])c1 ZINC000841856356 645231427 /nfs/dbraw/zinc/23/14/27/645231427.db2.gz NDGGBVXWLLICHW-GFCCVEGCSA-N 2 0 249.358 1.249 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2)CC[NH2+]1 ZINC000843129418 645267474 /nfs/dbraw/zinc/26/74/74/645267474.db2.gz UADQNHGSKWTZIM-FZMZJTMJSA-N 3 0 233.359 1.375 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](C)N1CCCCCCC[NH3+] ZINC000843368999 645286019 /nfs/dbraw/zinc/28/60/19/645286019.db2.gz AWEJBNDDEQTDNH-BETUJISGSA-N 2 0 227.396 1.578 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)CCCCCC[NH3+] ZINC000843506377 645293611 /nfs/dbraw/zinc/29/36/11/645293611.db2.gz YXUJIAGPYZZFKJ-GHMZBOCLSA-N 2 0 229.368 1.138 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@@H]1CC1(F)F ZINC000926738554 645394219 /nfs/dbraw/zinc/39/42/19/645394219.db2.gz ULEQUGXJYXZFMD-FBTJUVTCSA-N 2 0 244.329 1.962 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]CCOc2cccnc2)C12CCC2 ZINC000925487881 645496350 /nfs/dbraw/zinc/49/63/50/645496350.db2.gz HAUXGWRAOVIOAP-QWHCGFSZSA-N 2 0 247.342 1.320 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH3+])N(C[C@@H]2C[C@H](F)C[NH2+]2)[C@@H]1C ZINC000883445972 645851438 /nfs/dbraw/zinc/85/14/38/645851438.db2.gz RNKDYIZHCCGGBD-BNDIWNMDSA-N 2 0 243.370 1.134 20 0 BDADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000884369850 645874268 /nfs/dbraw/zinc/87/42/68/645874268.db2.gz RDQBBYUKJWHMQY-UTUOFQBUSA-N 2 0 241.379 1.007 20 0 BDADRP CC[N@H+](CCNC(=[NH2+])NCC(C)C)C1CC1 ZINC000221886901 645893800 /nfs/dbraw/zinc/89/38/00/645893800.db2.gz WORKOTXYYVFODE-UHFFFAOYSA-N 2 0 226.368 1.241 20 0 BDADRP CC[C@@H](CO)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000924537876 646057948 /nfs/dbraw/zinc/05/79/48/646057948.db2.gz BZCQXKBYKRRMKP-ZDUSSCGKSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)C(C)(C)CO ZINC000924646264 646081469 /nfs/dbraw/zinc/08/14/69/646081469.db2.gz DLJAONOMSQBHLR-VXGBXAGGSA-N 2 0 240.391 1.467 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@](C)(O)C1CC1 ZINC000925040398 646165412 /nfs/dbraw/zinc/16/54/12/646165412.db2.gz MJRPKSGFSHLEDU-OWZDMKDPSA-N 2 0 238.375 1.077 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925480660 646291701 /nfs/dbraw/zinc/29/17/01/646291701.db2.gz GNBUVCACCQCNGA-ZDEQEGDKSA-N 2 0 242.407 1.889 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925482117 646294028 /nfs/dbraw/zinc/29/40/28/646294028.db2.gz LFMXJOLOYSMHDI-QCNOEVLYSA-N 2 0 226.364 1.253 20 0 BDADRP c1cn(CCC[NH2+][C@H]2CC[NH2+]C23CCCC3)cn1 ZINC000925494078 646302152 /nfs/dbraw/zinc/30/21/52/646302152.db2.gz NBJVDYXKGFTCRU-ZDUSSCGKSA-N 2 0 248.374 1.538 20 0 BDADRP CSCC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925503211 646306393 /nfs/dbraw/zinc/30/63/93/646306393.db2.gz INKHWSRYDLFBIO-VWYCJHECSA-N 2 0 228.405 1.716 20 0 BDADRP C[NH+](C)CCCN[C@H]1CC[NH2+]C12CCCC2 ZINC000925505490 646306635 /nfs/dbraw/zinc/30/66/35/646306635.db2.gz UKGYAPDDLCZKPU-LBPRGKRZSA-N 2 0 225.380 1.202 20 0 BDADRP CC1(C)C[C@@H]([NH2+]CCn2ccnc2)C[C@@H]([NH3+])C1 ZINC000925508679 646308152 /nfs/dbraw/zinc/30/81/52/646308152.db2.gz IGJDCKSQVVFGBD-NEPJUHHUSA-N 2 0 236.363 1.379 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@@H]1CC[NH2+]C12CCC2 ZINC000925510337 646308724 /nfs/dbraw/zinc/30/87/24/646308724.db2.gz UZNVRUWGBQKIGY-CHWSQXEVSA-N 2 0 237.391 1.345 20 0 BDADRP CN1CCC([NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925511553 646310252 /nfs/dbraw/zinc/31/02/52/646310252.db2.gz OYQGIPDXOOMKNM-DGCLKSJQSA-N 2 0 239.407 1.576 20 0 BDADRP C[C@H](CC[NH+](C)C)N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925522452 646315525 /nfs/dbraw/zinc/31/55/25/646315525.db2.gz RRRAKUVVIINCDK-UPJWGTAASA-N 2 0 241.423 1.822 20 0 BDADRP C[C@@H]([NH3+])[C@H](NCC1(CO)CC1)c1ccccc1 ZINC000925530201 646319893 /nfs/dbraw/zinc/31/98/93/646319893.db2.gz PGOLEOWQMAKSND-YPMHNXCESA-N 2 0 234.343 1.437 20 0 BDADRP C[C@H](Cc1ccncc1)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925542807 646324206 /nfs/dbraw/zinc/32/42/06/646324206.db2.gz PKEPFTUTVMOTGB-BNOWGMLFSA-N 2 0 245.370 1.872 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2C[C@H]([NH3+])C23CCC3)C[N@@H+]1C1CC1 ZINC000925544278 646325381 /nfs/dbraw/zinc/32/53/81/646325381.db2.gz ZBDDQGOTZYMHOB-XWUBHJNHSA-N 2 0 249.402 1.471 20 0 BDADRP CCOCC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925559791 646334260 /nfs/dbraw/zinc/33/42/60/646334260.db2.gz CPUSWAYLDKRMJA-GHMZBOCLSA-N 2 0 214.353 1.519 20 0 BDADRP COCCOCC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925565575 646338073 /nfs/dbraw/zinc/33/80/73/646338073.db2.gz UQQFSEZBQVEKOS-RYUDHWBXSA-N 2 0 244.379 1.145 20 0 BDADRP Cc1ccc(CC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)cn1 ZINC000925573244 646342342 /nfs/dbraw/zinc/34/23/42/646342342.db2.gz NIWJXHUTAHPWLL-UONOGXRCSA-N 2 0 245.370 1.792 20 0 BDADRP COC[C@H]([NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)C1CC1 ZINC000925587063 646347282 /nfs/dbraw/zinc/34/72/82/646347282.db2.gz MQVIZVYNXOGCCO-AVGNSLFASA-N 2 0 240.391 1.907 20 0 BDADRP OC[C@H]1CC[C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925608314 646358476 /nfs/dbraw/zinc/35/84/76/646358476.db2.gz VUJOJSWPPTVNAQ-XQQFMLRXSA-N 2 0 238.375 1.412 20 0 BDADRP CC(C)C[C@H](CO)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925612983 646363752 /nfs/dbraw/zinc/36/37/52/646363752.db2.gz PEVJJLJKSHKVHN-JHJVBQTASA-N 2 0 242.407 1.889 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1ccco1 ZINC000925612989 646363770 /nfs/dbraw/zinc/36/37/70/646363770.db2.gz WAHLXYSSZSTNKM-KCXRBIIJSA-N 2 0 234.343 1.928 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925646841 646374824 /nfs/dbraw/zinc/37/48/24/646374824.db2.gz XJUFBGFNSQCPIC-WHOHXGKFSA-N 2 0 228.380 1.905 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925631693 646375686 /nfs/dbraw/zinc/37/56/86/646375686.db2.gz WMLSYMUFGWCGCE-STQMWFEESA-N 2 0 240.391 1.659 20 0 BDADRP C[C@@H](CO)CCC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925630312 646376375 /nfs/dbraw/zinc/37/63/75/646376375.db2.gz QZFDMJKINSDADZ-GHMZBOCLSA-N 2 0 214.353 1.125 20 0 BDADRP CO[C@@H](C)C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925645337 646388042 /nfs/dbraw/zinc/38/80/42/646388042.db2.gz PLJSLOUCZBIQGI-USZNOCQGSA-N 2 0 226.364 1.388 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCCCCO)C1 ZINC000925653847 646392246 /nfs/dbraw/zinc/39/22/46/646392246.db2.gz OYWRRELLRCPOHG-NWDGAFQWSA-N 2 0 228.380 1.645 20 0 BDADRP CC(C)[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)C(C)(C)O ZINC000925657980 646394268 /nfs/dbraw/zinc/39/42/68/646394268.db2.gz MAYSDFVWRCKUMP-UTUOFQBUSA-N 2 0 240.391 1.641 20 0 BDADRP CC(C)[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)C(C)(C)O ZINC000925657984 646395357 /nfs/dbraw/zinc/39/53/57/646395357.db2.gz MAYSDFVWRCKUMP-WOPDTQHZSA-N 2 0 240.391 1.641 20 0 BDADRP CCSCCC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925662211 646396113 /nfs/dbraw/zinc/39/61/13/646396113.db2.gz GXMSYPAVSYRTTN-JTQLQIEISA-N 2 0 216.394 1.860 20 0 BDADRP C[C@@H](C[NH+](C)C)N[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925671755 646400924 /nfs/dbraw/zinc/40/09/24/646400924.db2.gz FPNSJTUYWPDHLM-SRVKXCTJSA-N 2 0 227.396 1.432 20 0 BDADRP C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925670118 646401313 /nfs/dbraw/zinc/40/13/13/646401313.db2.gz IDPJKLRRSUEQQW-FDYHWXHSSA-N 2 0 238.375 1.519 20 0 BDADRP CC[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)C(C)(C)O ZINC000925673254 646403062 /nfs/dbraw/zinc/40/30/62/646403062.db2.gz BZVNEPQDVIDTGC-MNOVXSKESA-N 2 0 226.364 1.410 20 0 BDADRP CC[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)OC ZINC000925674918 646405334 /nfs/dbraw/zinc/40/53/34/646405334.db2.gz FLJRIIVKHGQHGQ-GRYCIOLGSA-N 2 0 228.380 1.907 20 0 BDADRP CC[C@H](C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)OC ZINC000925675528 646405503 /nfs/dbraw/zinc/40/55/03/646405503.db2.gz JAPJKLGZXNKPHJ-NDBYEHHHSA-N 2 0 240.391 1.778 20 0 BDADRP C[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@@H]([NH2+]2)[C@H]1C)C1CC1 ZINC000925680112 646407847 /nfs/dbraw/zinc/40/78/47/646407847.db2.gz HTXJJOBSCDUJHF-QYGUOROXSA-N 2 0 208.349 1.904 20 0 BDADRP C[C@@H](CCCO)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925680559 646408845 /nfs/dbraw/zinc/40/88/45/646408845.db2.gz RSAIZYYYHVWKPD-QWHCGFSZSA-N 2 0 240.391 1.659 20 0 BDADRP C[NH2+]CCC[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925689677 646415055 /nfs/dbraw/zinc/41/50/55/646415055.db2.gz HVZHBNRGVVCHQX-CQSZACIVSA-N 3 0 235.375 1.666 20 0 BDADRP C[C@@H](N)[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccccc1 ZINC000925689535 646417216 /nfs/dbraw/zinc/41/72/16/646417216.db2.gz BLRBEMNOGAAKLZ-WPPJOMGTSA-N 2 0 247.386 1.934 20 0 BDADRP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)[C@H](C)O ZINC000925694079 646417784 /nfs/dbraw/zinc/41/77/84/646417784.db2.gz SSKFBZXPLPUYCB-QCNOEVLYSA-N 2 0 228.380 1.641 20 0 BDADRP CC[NH2+]CCN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925694729 646420466 /nfs/dbraw/zinc/42/04/66/646420466.db2.gz SMDUXPLPQPMGIV-KGLIPLIRSA-N 2 0 239.407 1.354 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[NH2+]C2(C)C)[C@H](C)O1 ZINC000925694845 646420609 /nfs/dbraw/zinc/42/06/09/646420609.db2.gz GFHYQVKRPYLURQ-WRWGMCAJSA-N 2 0 226.364 1.530 20 0 BDADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000925695788 646421904 /nfs/dbraw/zinc/42/19/04/646421904.db2.gz XLXWIAMYLCSILE-XJFOESAGSA-N 2 0 240.391 1.765 20 0 BDADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000925695785 646421981 /nfs/dbraw/zinc/42/19/81/646421981.db2.gz XLXWIAMYLCSILE-AAVRWANBSA-N 2 0 240.391 1.765 20 0 BDADRP C[C@H]([NH3+])CCN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925695734 646422290 /nfs/dbraw/zinc/42/22/90/646422290.db2.gz WIFVILUHZOHZCC-WHOHXGKFSA-N 2 0 225.380 1.090 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925697885 646422875 /nfs/dbraw/zinc/42/28/75/646422875.db2.gz BGNFAKGVNMIDSZ-UPJWGTAASA-N 3 0 241.423 2.000 20 0 BDADRP C[C@H](C[NH3+])CN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925697689 646423330 /nfs/dbraw/zinc/42/33/30/646423330.db2.gz HJOHUINQKBAGQL-XBFCOCLRSA-N 3 0 239.407 1.339 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CC[NH2+]C12CCCC2 ZINC000925699991 646423636 /nfs/dbraw/zinc/42/36/36/646423636.db2.gz MOAYREHYBMMXDF-AVGNSLFASA-N 2 0 237.391 1.391 20 0 BDADRP C[NH2+]Cc1ccccc1CN[C@H]1CC[NH2+]C1(C)C ZINC000925701657 646425153 /nfs/dbraw/zinc/42/51/53/646425153.db2.gz CWWGRXPENFLDJE-AWEZNQCLSA-N 2 0 247.386 1.636 20 0 BDADRP C[NH2+]Cc1ccccc1CN[C@@H]1CCC[NH2+][C@H]1C ZINC000925703268 646427541 /nfs/dbraw/zinc/42/75/41/646427541.db2.gz SMUXZUTUGLKZDQ-SWLSCSKDSA-N 2 0 247.386 1.636 20 0 BDADRP C[C@H](COCC1CC1)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925703347 646427798 /nfs/dbraw/zinc/42/77/98/646427798.db2.gz TWKQQWLZSNJJOB-RTXFEEFZSA-N 2 0 238.375 1.661 20 0 BDADRP [NH3+]CCC[C@H]([NH2+]C/C=C\CO)c1ccccc1 ZINC000925705101 646428666 /nfs/dbraw/zinc/42/86/66/646428666.db2.gz JJLJLOBMHVQYHC-WSNITJDQSA-N 2 0 234.343 1.605 20 0 BDADRP Cc1cncc(CC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)n1 ZINC000925705943 646430637 /nfs/dbraw/zinc/43/06/37/646430637.db2.gz JCELPVSRLWFSRU-STQMWFEESA-N 2 0 246.358 1.187 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]C[C@@H]2CCCO2)C12CCC2 ZINC000925708753 646432406 /nfs/dbraw/zinc/43/24/06/646432406.db2.gz RXYURRRVNDAPGO-DCAQKATOSA-N 2 0 210.321 1.025 20 0 BDADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ncc[nH]1 ZINC000925707964 646432827 /nfs/dbraw/zinc/43/28/27/646432827.db2.gz QMGSLDJWOAVFEU-JTQLQIEISA-N 2 0 220.320 1.370 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CC13CC[NH2+]CC3)[NH2+]2 ZINC000925713369 646438671 /nfs/dbraw/zinc/43/86/71/646438671.db2.gz XSXQEUYXQVWSGT-BJJPWKGXSA-N 3 0 249.402 1.247 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000925718118 646442492 /nfs/dbraw/zinc/44/24/92/646442492.db2.gz GSKPWTGUGNVLSA-TUAOUCFPSA-N 2 0 223.364 1.001 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCOCCF ZINC000925717275 646442955 /nfs/dbraw/zinc/44/29/55/646442955.db2.gz RXVYCGQMZRMVJQ-ZYANWLCNSA-N 2 0 230.327 1.078 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925718951 646444967 /nfs/dbraw/zinc/44/49/67/646444967.db2.gz KSKIBVPDYHVONX-FVCCEPFGSA-N 2 0 239.407 1.623 20 0 BDADRP C([NH2+][C@H]1CC[NH2+]C12CCC2)[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925727185 646451544 /nfs/dbraw/zinc/45/15/44/646451544.db2.gz NGNKMPSYTBNNOF-CRWXNKLISA-N 3 0 249.402 1.391 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)C12CCC2 ZINC000925726077 646452424 /nfs/dbraw/zinc/45/24/24/646452424.db2.gz PWYVSWQVEBVWLC-XVZUFCMUSA-N 2 0 248.370 1.269 20 0 BDADRP COCC(C)(C)CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925728165 646452743 /nfs/dbraw/zinc/45/27/43/646452743.db2.gz BLYVCSOUDMEAGX-GFCCVEGCSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CCC(C)(C)CO1 ZINC000925732553 646456058 /nfs/dbraw/zinc/45/60/58/646456058.db2.gz POUACIIJKPVTFN-SDDRHHMPSA-N 2 0 228.380 1.907 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1CCC(C)(C)CO1 ZINC000925732551 646456119 /nfs/dbraw/zinc/45/61/19/646456119.db2.gz POUACIIJKPVTFN-QJPTWQEYSA-N 2 0 228.380 1.907 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1CCC(C)(C)CO1 ZINC000925732556 646456566 /nfs/dbraw/zinc/45/65/66/646456566.db2.gz POUACIIJKPVTFN-TUAOUCFPSA-N 2 0 228.380 1.907 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@H]2CC[NH2+]C2(C)C)C1 ZINC000925734565 646458474 /nfs/dbraw/zinc/45/84/74/646458474.db2.gz AUBYNPKNTQUZQA-DCAQKATOSA-N 2 0 212.337 1.142 20 0 BDADRP CO[C@@H]1[C@H](C)[C@H]([NH2+]CCC(C)(C)[NH3+])C1(C)C ZINC000925742682 646465223 /nfs/dbraw/zinc/46/52/23/646465223.db2.gz WTKRUWPNJIDQFJ-OUAUKWLOSA-N 2 0 228.380 1.763 20 0 BDADRP CC[C@@H]([C@@H]1CCC[NH2+]1)N1CCC([NH3+])(CC)CC1 ZINC000925760363 646466001 /nfs/dbraw/zinc/46/60/01/646466001.db2.gz LTHVPUHKHUHFQT-STQMWFEESA-N 2 0 239.407 1.720 20 0 BDADRP CCC1([NH3+])CCN([C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000925759837 646467018 /nfs/dbraw/zinc/46/70/18/646467018.db2.gz IDMUIILRHDPKPE-NEPJUHHUSA-N 2 0 225.380 1.317 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)[C@@H]1CCCOC1 ZINC000925770413 646470453 /nfs/dbraw/zinc/47/04/53/646470453.db2.gz SYOZPSRLIDWIKG-RFQIPJPRSA-N 2 0 240.391 1.922 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)[C@H]1CCCOC1 ZINC000925770415 646471222 /nfs/dbraw/zinc/47/12/22/646471222.db2.gz SYOZPSRLIDWIKG-XUXIUFHCSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC[C@H]1CCCO1 ZINC000925773943 646472278 /nfs/dbraw/zinc/47/22/78/646472278.db2.gz IGSIEAZUTOMHQG-XQQFMLRXSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925781284 646477511 /nfs/dbraw/zinc/47/75/11/646477511.db2.gz WMUHEONMABZYJV-WRWGMCAJSA-N 2 0 225.380 1.090 20 0 BDADRP C[C@@H]1[C@H](C)[N@H+](C)CCN1C[C@H]1CCC[NH+]1C ZINC000930178376 646480828 /nfs/dbraw/zinc/48/08/28/646480828.db2.gz XIVZMWRSPDPRRD-YNEHKIRRSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000925787104 646483199 /nfs/dbraw/zinc/48/31/99/646483199.db2.gz WOSVYIFHCUJLKA-OJAKKHQRSA-N 2 0 208.349 1.763 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccnn1C ZINC000925802045 646486261 /nfs/dbraw/zinc/48/62/61/646486261.db2.gz CWYRDSNYRJRDNF-IJLUTSLNSA-N 2 0 236.363 1.316 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000925795218 646486345 /nfs/dbraw/zinc/48/63/45/646486345.db2.gz GXENDOXATYFPKF-YVECIDJPSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C1CCC(O)CC1 ZINC000925802011 646487545 /nfs/dbraw/zinc/48/75/45/646487545.db2.gz CIQICMULGPUBTH-OKZRHMCRSA-N 2 0 226.364 1.125 20 0 BDADRP C[C@H]1[NH2+]CCC[C@H]1NCc1cc(N(C)C)cc[nH+]1 ZINC000925815559 646491657 /nfs/dbraw/zinc/49/16/57/646491657.db2.gz YHLIBARRAYGHHM-BXUZGUMPSA-N 2 0 248.374 1.378 20 0 BDADRP [NH3+]C1CCN(CC[NH2+][C@H]2CC[C@@H]2C2CC2)CC1 ZINC000925817602 646493885 /nfs/dbraw/zinc/49/38/85/646493885.db2.gz STXCXZPSDBBFNS-KGLIPLIRSA-N 2 0 237.391 1.188 20 0 BDADRP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000925824478 646497012 /nfs/dbraw/zinc/49/70/12/646497012.db2.gz UDSVGOCJUPCZEO-RBBWPXTMSA-N 2 0 208.349 1.748 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)[C@@H]1CC[NH2+]C1 ZINC000925829079 646499191 /nfs/dbraw/zinc/49/91/91/646499191.db2.gz AXNSCYACHPYVCV-VJTDZRGJSA-N 2 0 236.359 1.165 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925840578 646506251 /nfs/dbraw/zinc/50/62/51/646506251.db2.gz MUCAXMIHBVISLO-FDYHWXHSSA-N 2 0 225.380 1.234 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925839681 646506572 /nfs/dbraw/zinc/50/65/72/646506572.db2.gz JAJIWZLSKBEOMF-XJFOESAGSA-N 2 0 237.391 1.236 20 0 BDADRP CC(C)[C@H](C)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925849822 646510115 /nfs/dbraw/zinc/51/01/15/646510115.db2.gz QNINLCSOSFFTIH-AWEZNQCLSA-N 2 0 241.423 1.696 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000925856598 646510943 /nfs/dbraw/zinc/51/09/43/646510943.db2.gz JYNCOYQCSDMFRG-AVGNSLFASA-N 2 0 228.380 1.787 20 0 BDADRP COC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000925873662 646524644 /nfs/dbraw/zinc/52/46/44/646524644.db2.gz LXXSVPSENCESGW-ICIURTGMSA-N 2 0 240.391 1.778 20 0 BDADRP CCOCCOCC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000925875382 646525324 /nfs/dbraw/zinc/52/53/24/646525324.db2.gz SGQUOXIEFSHSKY-QWHCGFSZSA-N 2 0 244.379 1.017 20 0 BDADRP COC[C@H](C[NH2+][C@H](C)C[C@@H](C)[NH3+])C(C)C ZINC000925874744 646526332 /nfs/dbraw/zinc/52/63/32/646526332.db2.gz VLUKPIXRXSXGEG-UTUOFQBUSA-N 2 0 216.369 1.620 20 0 BDADRP COC[C@H](C[NH2+][C@H]1CCC[C@@H]1[NH3+])C(C)C ZINC000925874708 646526662 /nfs/dbraw/zinc/52/66/62/646526662.db2.gz UTYLRLISTRQMQU-SRVKXCTJSA-N 2 0 214.353 1.374 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000925879460 646529770 /nfs/dbraw/zinc/52/97/70/646529770.db2.gz FEIGGCXNDIKSTG-RNJOBUHISA-N 3 0 225.380 1.363 20 0 BDADRP C[C@@H](N)[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000925879417 646529773 /nfs/dbraw/zinc/52/97/73/646529773.db2.gz DLDRNCCOOGWOBU-RJZRQDKASA-N 2 0 247.386 1.792 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2CCCc3n[nH]cc32)C1 ZINC000925881211 646531195 /nfs/dbraw/zinc/53/11/95/646531195.db2.gz ZHFKDZQTKKILPF-UMNHJUIQSA-N 2 0 234.347 1.504 20 0 BDADRP C[C@H]([NH2+]C1([C@@H]2CCCCO2)CC1)[C@@H]1CC[NH2+]C1 ZINC000925893203 646534938 /nfs/dbraw/zinc/53/49/38/646534938.db2.gz MZABUVHNUMVDDI-XQQFMLRXSA-N 2 0 238.375 1.676 20 0 BDADRP C1CC1([NH2+]C1CC[NH2+]CC1)[C@@H]1CCCCO1 ZINC000925892487 646535302 /nfs/dbraw/zinc/53/53/02/646535302.db2.gz BWHKBDVLJBWUBI-LBPRGKRZSA-N 2 0 224.348 1.430 20 0 BDADRP CC(C)CC[NH+]1CCC(NCC[NH+](C)C)CC1 ZINC000926422635 646635602 /nfs/dbraw/zinc/63/56/02/646635602.db2.gz YPCJEVISICSKDL-UHFFFAOYSA-N 2 0 241.423 1.648 20 0 BDADRP C[C@@H](C[NH2+][C@@H](C)Cc1ccccn1)C[NH+](C)C ZINC000926476265 646653436 /nfs/dbraw/zinc/65/34/36/646653436.db2.gz ZGLWVQSJUWDBGG-STQMWFEESA-N 2 0 235.375 1.800 20 0 BDADRP COC[C@H](C)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723887421 711543437 /nfs/dbraw/zinc/54/34/37/711543437.db2.gz MYIDVCCSLUYRFP-IJLUTSLNSA-N 2 0 214.353 1.186 20 0 BDADRP Cc1cn(C)nc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000723962529 711548197 /nfs/dbraw/zinc/54/81/97/711548197.db2.gz FNDCHNOBXUNWEQ-LBPRGKRZSA-N 2 0 236.363 1.289 20 0 BDADRP OCC1([NH2+]CCC[NH2+]C2CC2)CCCC1 ZINC000382547921 711696581 /nfs/dbraw/zinc/69/65/81/711696581.db2.gz AWFHOMRUEITAIL-UHFFFAOYSA-N 2 0 212.337 1.023 20 0 BDADRP CC[C@H](O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397291413 711705260 /nfs/dbraw/zinc/70/52/60/711705260.db2.gz AIBHNLYKEOBXGU-WYUUTHIRSA-N 2 0 214.353 1.063 20 0 BDADRP C[C@@H]1NCCC[C@@H]1[NH2+]CCCCCC[NH3+] ZINC000925711354 711711084 /nfs/dbraw/zinc/71/10/84/711711084.db2.gz MUEKDYJCQJPCDP-RYUDHWBXSA-N 2 0 213.369 1.236 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccncc1 ZINC000925875416 711761573 /nfs/dbraw/zinc/76/15/73/711761573.db2.gz GZEABLFPAQLBBZ-LOWVWBTDSA-N 2 0 219.332 1.860 20 0 BDADRP COC[C@H](C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1)C(C)C ZINC000721913905 711918246 /nfs/dbraw/zinc/91/82/46/711918246.db2.gz QQKQFULMHPWAHT-IHRRRGAJSA-N 2 0 242.407 1.964 20 0 BDADRP CO[C@H]1C[C@@H](CN2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000721921285 711937117 /nfs/dbraw/zinc/93/71/17/711937117.db2.gz XJCHHXPTFYJVBA-FVCCEPFGSA-N 2 0 224.348 1.095 20 0 BDADRP C[N@@H+]1CCCC[C@H](CNCc2c[nH]cn2)C1 ZINC000700786885 712005048 /nfs/dbraw/zinc/00/50/48/712005048.db2.gz TXRUSXVCNUKXBT-LLVKDONJSA-N 2 0 222.336 1.231 20 0 BDADRP COC1CC(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)C1 ZINC000703162658 712067139 /nfs/dbraw/zinc/06/71/39/712067139.db2.gz JLYQLRHLENLJKP-XKGSQUFQSA-N 2 0 212.337 1.081 20 0 BDADRP C[NH+](C)CCC[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000711844084 712335115 /nfs/dbraw/zinc/33/51/15/712335115.db2.gz XJMWXVAEFCECBR-KGLIPLIRSA-N 2 0 240.391 1.733 20 0 BDADRP C([C@H]1CCCC[NH2+]C1)[NH+]1CCSCC1 ZINC000606283050 712351577 /nfs/dbraw/zinc/35/15/77/712351577.db2.gz QINHBIOOFXXTRZ-NSHDSACASA-N 2 0 214.378 1.425 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCCOC(F)(F)F)C1 ZINC000713405690 712459184 /nfs/dbraw/zinc/45/91/84/712459184.db2.gz NFNPKWQFBRBRFZ-BDAKNGLRSA-N 2 0 240.269 1.582 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCCOC(F)(F)F)C1 ZINC000713405692 712459285 /nfs/dbraw/zinc/45/92/85/712459285.db2.gz NFNPKWQFBRBRFZ-DTWKUNHWSA-N 2 0 240.269 1.582 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](C[C@H]2CCC(C)(C)CO2)C1 ZINC000713585666 712466227 /nfs/dbraw/zinc/46/62/27/712466227.db2.gz KSMLQNWNSIQRDJ-CHWSQXEVSA-N 2 0 240.391 1.733 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CC(C)(C)CO1 ZINC000717316247 712646474 /nfs/dbraw/zinc/64/64/74/712646474.db2.gz DOUKDMHSEGZDQH-NWDGAFQWSA-N 2 0 244.379 1.145 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC000717316248 712646700 /nfs/dbraw/zinc/64/67/00/712646700.db2.gz DOUKDMHSEGZDQH-RYUDHWBXSA-N 2 0 244.379 1.145 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1CCOC1 ZINC000717324194 712649006 /nfs/dbraw/zinc/64/90/06/712649006.db2.gz VXKIYUFRMLNRIK-AXFHLTTASA-N 2 0 248.317 1.246 20 0 BDADRP Cc1coc(C[NH2+]CCOCC[NH+](C)C)c1 ZINC000718052656 712739191 /nfs/dbraw/zinc/73/91/91/712739191.db2.gz MMZVSBVMDJBMHQ-UHFFFAOYSA-N 2 0 226.320 1.256 20 0 BDADRP COCC(C)(C)CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000718792957 712783904 /nfs/dbraw/zinc/78/39/04/712783904.db2.gz SXCOTAPDVUZDNB-RYUDHWBXSA-N 2 0 228.380 1.909 20 0 BDADRP Cc1cc(N[C@@H]2CC[N@H+](C)[C@H]2C)cc[nH+]1 ZINC000719571293 712810593 /nfs/dbraw/zinc/81/05/93/712810593.db2.gz SBVQACKUBZBOGD-CMPLNLGQSA-N 2 0 205.305 1.316 20 0 BDADRP C[C@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000719777662 712824403 /nfs/dbraw/zinc/82/44/03/712824403.db2.gz HPFULGVLGHYGEA-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP C[C@H]1CC[N@H+](C[C@]2(C)CCC[NH2+]C2)CCO1 ZINC000719780188 712824891 /nfs/dbraw/zinc/82/48/91/712824891.db2.gz UUPLATLBOLOFDM-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP COC[C@H](C[NH2+]C(C)(C)CN(C)C)C(C)C ZINC000721765667 710685320 /nfs/dbraw/zinc/68/53/20/710685320.db2.gz ARBRXEOWPBVKGP-LBPRGKRZSA-N 2 0 230.396 1.835 20 0 BDADRP C[C@H]1OCC[N@H+](CCCCCC[NH3+])[C@@H]1C ZINC000380422783 712900799 /nfs/dbraw/zinc/90/07/99/712900799.db2.gz DBSHMNQOHITQCW-VXGBXAGGSA-N 2 0 214.353 1.615 20 0 BDADRP Cc1ncc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)s1 ZINC000722516311 710713323 /nfs/dbraw/zinc/71/33/23/710713323.db2.gz WDJHTRRUQYFDSO-MWLCHTKSSA-N 2 0 239.388 1.787 20 0 BDADRP [NH3+]CCC[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000723630071 710730051 /nfs/dbraw/zinc/73/00/51/710730051.db2.gz VSRLDGUYJWPNQZ-QJPTWQEYSA-N 2 0 212.337 1.130 20 0 BDADRP Cc1cnc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cn1 ZINC000723891293 710733347 /nfs/dbraw/zinc/73/33/47/710733347.db2.gz MQLWQDPJVIWPMP-ZYHUDNBSSA-N 2 0 234.347 1.202 20 0 BDADRP C1[NH2+][C@H]2[C@H]([NH2+]C3CCSCC3)[C@H]3C[C@@H]1[C@@H]2C3 ZINC000382061991 710769428 /nfs/dbraw/zinc/76/94/28/710769428.db2.gz PWKMGONNXHMALP-XZPDDHLCSA-N 2 0 238.400 1.468 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@H]1C ZINC000382945705 710975863 /nfs/dbraw/zinc/97/58/63/710975863.db2.gz SCJCZKIDQQJNFZ-MCIONIFRSA-N 2 0 240.391 1.421 20 0 BDADRP C[NH+](C)C1(CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CCC1 ZINC000385510098 711015260 /nfs/dbraw/zinc/01/52/60/711015260.db2.gz ASORLOWTOABCRY-YHQUGGNUSA-N 2 0 249.402 1.057 20 0 BDADRP CC[NH+]1CCC(N[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000385854969 711019299 /nfs/dbraw/zinc/01/92/99/711019299.db2.gz VVUIKLSNKAOHDK-WPTOEGHWSA-N 2 0 249.402 1.057 20 0 BDADRP CN1CCC[NH+]=C1NCC1([NH+](C)C)CCCC1 ZINC000386622510 711033665 /nfs/dbraw/zinc/03/36/65/711033665.db2.gz YJTABSJITJZMIO-UHFFFAOYSA-N 2 0 238.379 1.142 20 0 BDADRP CO[C@@H]([C@H](C)[NH2+]CC1CC[NH+](C)CC1)C1CC1 ZINC000388206714 711052935 /nfs/dbraw/zinc/05/29/35/711052935.db2.gz DKXFCCZDQUKKMN-FZMZJTMJSA-N 2 0 240.391 1.731 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000389552609 711080389 /nfs/dbraw/zinc/08/03/89/711080389.db2.gz PNYNUFLOWKQUNB-PMKSJIGOSA-N 2 0 249.402 1.057 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000389552610 711080679 /nfs/dbraw/zinc/08/06/79/711080679.db2.gz PNYNUFLOWKQUNB-UQGHGMQMSA-N 2 0 249.402 1.057 20 0 BDADRP C[C@@]1(C[NH3+])CC[N@H+](CCCCCCO)C1 ZINC000389611023 711082455 /nfs/dbraw/zinc/08/24/55/711082455.db2.gz DKRWOJPAWDXNLS-LBPRGKRZSA-N 2 0 214.353 1.210 20 0 BDADRP OCCCCCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000392910027 711153566 /nfs/dbraw/zinc/15/35/66/711153566.db2.gz WSHQLPIMOVBIHW-MEBFFEOJSA-N 2 0 238.375 1.125 20 0 BDADRP C[C@H]1CC[C@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000393826207 711177440 /nfs/dbraw/zinc/17/74/40/711177440.db2.gz OPVKKAFSDIPLGX-QWHCGFSZSA-N 2 0 225.380 1.012 20 0 BDADRP CC[NH+](CC)CCCN[C@H]1CCC[NH2+][C@H]1C ZINC000396591813 711356936 /nfs/dbraw/zinc/35/69/36/711356936.db2.gz CQCSWZYPMWYADK-STQMWFEESA-N 2 0 227.396 1.448 20 0 BDADRP C[C@H]1NCCC[C@@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000396594317 711358586 /nfs/dbraw/zinc/35/85/86/711358586.db2.gz KWJYMUBNVVLUMH-OLZOCXBDSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H](CN[C@@H]1CCC[NH2+][C@H]1C)[N@H+](C)C1CC1 ZINC000396713668 711367146 /nfs/dbraw/zinc/36/71/46/711367146.db2.gz QKQQMLYGQAXFRN-NTZNESFSSA-N 2 0 225.380 1.199 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@H]1CCC[NH2+][C@@H]1C ZINC000396716411 711367575 /nfs/dbraw/zinc/36/75/75/711367575.db2.gz RIFCLHWTZZYDRK-UPJWGTAASA-N 2 0 225.380 1.201 20 0 BDADRP C[C@H](O)C[C@H](C)C[NH2+]CC1CC[NH+](C)CC1 ZINC000398699967 711414616 /nfs/dbraw/zinc/41/46/16/711414616.db2.gz VXNNHUPZKLJHCI-RYUDHWBXSA-N 2 0 228.380 1.325 20 0 BDADRP CC(C)OCCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000383065042 710923730 /nfs/dbraw/zinc/92/37/30/710923730.db2.gz OMFUTIJOBORHFJ-QSLWVIQJSA-N 2 0 238.375 1.388 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000396686233 711364259 /nfs/dbraw/zinc/36/42/59/711364259.db2.gz YHCAMVUJHRIQTE-WYTNZGFTSA-N 2 0 237.391 1.342 20 0 BDADRP C[C@@H]1C[C@@H](C)[N@H+](CCCCCCO)C[C@@H]1C[NH3+] ZINC000397302715 711381255 /nfs/dbraw/zinc/38/12/55/711381255.db2.gz LDRXSKAWULCUKC-MCIONIFRSA-N 2 0 242.407 1.844 20 0 BDADRP C[N@H+](CCOCC[NH3+])C[C@@H]1CC2CCC1CC2 ZINC000399964088 711437476 /nfs/dbraw/zinc/43/74/76/711437476.db2.gz BYENNLGWFCTTRO-RUXDESIVSA-N 2 0 240.391 1.720 20 0 BDADRP C[N@@H+]1CCCN(c2cc(N)[nH+]cc2Cl)CC1 ZINC000891438716 711520289 /nfs/dbraw/zinc/52/02/89/711520289.db2.gz RYIXITLJTBCADX-UHFFFAOYSA-N 2 0 240.738 1.459 20 0 BDADRP CC(C)([NH3+])C[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000723630061 711527255 /nfs/dbraw/zinc/52/72/55/711527255.db2.gz VOZWIIJHDURITF-GRYCIOLGSA-N 2 0 226.364 1.519 20 0 BDADRP Cc1nc(C)c(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)o1 ZINC000723633463 711527957 /nfs/dbraw/zinc/52/79/57/711527957.db2.gz KUIOYWWSGYSBAY-NEPJUHHUSA-N 2 0 235.331 1.475 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000723648946 711530635 /nfs/dbraw/zinc/53/06/35/711530635.db2.gz XJLDUKOOEJTXHC-XJFOESAGSA-N 2 0 240.391 1.909 20 0 BDADRP Cc1cc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)no1 ZINC000723691950 711534039 /nfs/dbraw/zinc/53/40/39/711534039.db2.gz VWVHUEVYIFWVBW-SNVBAGLBSA-N 2 0 209.293 1.154 20 0 BDADRP Cc1cc(C)nc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000723877259 711542151 /nfs/dbraw/zinc/54/21/51/711542151.db2.gz SZBTZKIPEURQHQ-DGCLKSJQSA-N 2 0 233.359 1.725 20 0 BDADRP CCc1cnc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)o1 ZINC000723894517 711544082 /nfs/dbraw/zinc/54/40/82/711544082.db2.gz MGAQRTJOGODLEN-GHMZBOCLSA-N 2 0 237.347 1.654 20 0 BDADRP CSC[C@H](C)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000382204917 711555261 /nfs/dbraw/zinc/55/52/61/711555261.db2.gz JZIPBECDRYTHRL-DCHHYWPUSA-N 2 0 226.389 1.324 20 0 BDADRP C[C@@H]1SCC[C@@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000382233368 711644370 /nfs/dbraw/zinc/64/43/70/711644370.db2.gz QBFFTFMNAFIWTH-CCKSWGLSSA-N 2 0 238.400 1.466 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925716028 711712941 /nfs/dbraw/zinc/71/29/41/711712941.db2.gz OGIRRMSIYKWIBA-FRRDWIJNSA-N 2 0 241.423 1.855 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc3c[nH]nc3c2)C1 ZINC000334847923 711718987 /nfs/dbraw/zinc/71/89/87/711718987.db2.gz YELZGBNHXCLKQC-QWHCGFSZSA-N 2 0 244.342 1.922 20 0 BDADRP CC(C)n1ncnc1CN1CC[C@H](CC[NH3+])C1 ZINC000125528114 711729708 /nfs/dbraw/zinc/72/97/08/711729708.db2.gz QZDTVYWHNPSYDU-NSHDSACASA-N 2 0 237.351 1.030 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)[C@H]1CC[NH2+]C1 ZINC000925773971 711745928 /nfs/dbraw/zinc/74/59/28/711745928.db2.gz QTNSXAAHGNNPDG-AVGNSLFASA-N 2 0 238.375 1.533 20 0 BDADRP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925791146 711752589 /nfs/dbraw/zinc/75/25/89/711752589.db2.gz OAYOBUPSDMHZEK-YWVKMMECSA-N 2 0 222.336 1.224 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cncs1 ZINC000722515102 711760376 /nfs/dbraw/zinc/76/03/76/711760376.db2.gz ANCNSNGQWIEZCA-NXEZZACHSA-N 2 0 225.361 1.478 20 0 BDADRP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925875452 711761605 /nfs/dbraw/zinc/76/16/05/711761605.db2.gz HKZBKSFZQKSYKA-IEBDPFPHSA-N 2 0 222.336 1.496 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+]C2[C@@H]3CC[C@H]2CC([NH3+])C3)C1 ZINC000925879971 711762045 /nfs/dbraw/zinc/76/20/45/711762045.db2.gz NJBRAGBTTZHTIA-HRASCPFESA-N 3 0 237.391 1.219 20 0 BDADRP c1ccc2c(c1)CCO[C@H]2CCN[C@@H]1CC[NH2+]C1 ZINC000925879583 711762148 /nfs/dbraw/zinc/76/21/48/711762148.db2.gz ABLVSHYPIHZQJM-HIFRSBDPSA-N 2 0 246.354 1.642 20 0 BDADRP C1[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C12CCCC2 ZINC000387294536 711787086 /nfs/dbraw/zinc/78/70/86/711787086.db2.gz OEWLHNBXQXHUBN-SNIKSBKOSA-N 2 0 232.371 1.905 20 0 BDADRP C[C@@H](CC[NH2+]CC1CC[NH+](C)CC1)[S@](C)=O ZINC000229791994 711839104 /nfs/dbraw/zinc/83/91/04/711839104.db2.gz SVRDIPADRTZMNL-ZBEGNZNMSA-N 2 0 246.420 1.075 20 0 BDADRP Cc1nccn1CCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925473662 711878683 /nfs/dbraw/zinc/87/86/83/711878683.db2.gz NWXRYPJMMRHPPA-STQMWFEESA-N 2 0 248.374 1.441 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@@H](COC)C(C)C ZINC000721913694 711918181 /nfs/dbraw/zinc/91/81/81/711918181.db2.gz PNDKXAUZESOYRG-QWHCGFSZSA-N 2 0 228.380 1.589 20 0 BDADRP Cc1nc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)cs1 ZINC000700631845 712003923 /nfs/dbraw/zinc/00/39/23/712003923.db2.gz UXNVBYVDCUJYAR-SNVBAGLBSA-N 2 0 225.361 1.622 20 0 BDADRP C[N@@H+]1CCCC[C@@H](C[NH2+][C@@H]2COCC2(C)C)C1 ZINC000700793549 712005353 /nfs/dbraw/zinc/00/53/53/712005353.db2.gz RQJOFLPLRWJURF-QWHCGFSZSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1COC[C@@H]1[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000700809699 712006637 /nfs/dbraw/zinc/00/66/37/712006637.db2.gz RPTXOZKLEDBXLQ-AGIUHOORSA-N 2 0 226.364 1.343 20 0 BDADRP C[NH+](C)CCC1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000700844644 712008488 /nfs/dbraw/zinc/00/84/88/712008488.db2.gz IWTVNTXXTZRCHI-CQSZACIVSA-N 2 0 240.391 1.421 20 0 BDADRP CCO[C@H]1CC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000701674963 712026964 /nfs/dbraw/zinc/02/69/64/712026964.db2.gz WTSCYBBSVJBQDM-LBPRGKRZSA-N 2 0 212.337 1.239 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)C1 ZINC000702076682 712037982 /nfs/dbraw/zinc/03/79/82/712037982.db2.gz FKNSXCFWUMYXKF-QNWHQSFQSA-N 2 0 224.348 1.082 20 0 BDADRP CCC(CC)C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702119736 712039524 /nfs/dbraw/zinc/03/95/24/712039524.db2.gz HJTXLWFFDPWGNK-QWHCGFSZSA-N 2 0 210.365 1.964 20 0 BDADRP C[C@H](O)CCC[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000702284222 712044993 /nfs/dbraw/zinc/04/49/93/712044993.db2.gz GVLYLCHDPGJTKM-RWMBFGLXSA-N 2 0 226.364 1.031 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+]C1CCC(C)(O)CC1 ZINC000703025358 712065261 /nfs/dbraw/zinc/06/52/61/712065261.db2.gz VNAULXVBLAGERC-UHFFFAOYSA-N 2 0 242.407 2.000 20 0 BDADRP COC1CC(C[N@H+](C)[C@H]2CCC[NH2+]CC2)C1 ZINC000703296884 712071382 /nfs/dbraw/zinc/07/13/82/712071382.db2.gz BQECTJHTKGLTDD-CPCZMJQVSA-N 2 0 226.364 1.485 20 0 BDADRP COC1CC(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)C1 ZINC000703390576 712075081 /nfs/dbraw/zinc/07/50/81/712075081.db2.gz QCRJBFAYCGKKMU-WXRRBKDZSA-N 2 0 228.380 1.717 20 0 BDADRP C[C@H](CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)[NH+](C)C ZINC000703569009 712080489 /nfs/dbraw/zinc/08/04/89/712080489.db2.gz MBEPFJCSPOXYIB-FVCCEPFGSA-N 2 0 239.407 1.303 20 0 BDADRP C[C@@H]([NH2+]C1CCC(C)(O)CC1)[C@H]1CC[NH2+]C1 ZINC000703604373 712082167 /nfs/dbraw/zinc/08/21/67/712082167.db2.gz IYKWHZIWPUKGMO-IALDZJHCSA-N 2 0 226.364 1.268 20 0 BDADRP CC1(O)CCC([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000703605265 712082226 /nfs/dbraw/zinc/08/22/26/712082226.db2.gz NFTDXPMKCYDJSX-QZQSVVMZSA-N 2 0 238.375 1.540 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCSC1)[C@@H]1CCC[NH2+]1 ZINC000704776207 712116108 /nfs/dbraw/zinc/11/61/08/712116108.db2.gz OEPWEZRZIDGXDS-SRVKXCTJSA-N 2 0 228.405 1.860 20 0 BDADRP CSC1CC([NH2+]CC[C@H](C)[NH+](C)C)C1 ZINC000706944977 712162834 /nfs/dbraw/zinc/16/28/34/712162834.db2.gz OKTFFCCLHKPPJZ-WHXUTIOJSA-N 2 0 216.394 1.810 20 0 BDADRP C[N@H+]1C[C@@H]2C[NH+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]2C1 ZINC000706988425 712164354 /nfs/dbraw/zinc/16/43/54/712164354.db2.gz QMTYYTSCSOYZQN-LFAHVKQVSA-N 3 0 249.402 1.010 20 0 BDADRP CCOC[C@@H]1CC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000707582534 712175445 /nfs/dbraw/zinc/17/54/45/712175445.db2.gz NDBWLJQVFLVGMV-UPJWGTAASA-N 2 0 226.364 1.200 20 0 BDADRP C[C@@H]1C[N@H+](CCCCCCO)C[C@H]1C[NH3+] ZINC000708861261 712201342 /nfs/dbraw/zinc/20/13/42/712201342.db2.gz GKFJXWDIRRPLME-VXGBXAGGSA-N 2 0 214.353 1.066 20 0 BDADRP CC(C)[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000708898451 712203542 /nfs/dbraw/zinc/20/35/42/712203542.db2.gz LTLYUASTFWZETL-TUAOUCFPSA-N 2 0 212.337 1.081 20 0 BDADRP Cc1nc(CN2CC[C@@H]([NH+](C)C)[C@H]2C)[nH]c1C ZINC000709065267 712206655 /nfs/dbraw/zinc/20/66/55/712206655.db2.gz NVAZZCIZLSOPHA-VXGBXAGGSA-N 2 0 236.363 1.551 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CC1(C)C)[NH2+]2 ZINC000709384119 712220639 /nfs/dbraw/zinc/22/06/39/712220639.db2.gz HFLDCHKWMAUOHK-LVEVGFFFSA-N 2 0 208.349 1.904 20 0 BDADRP C[NH+](C)C1(C)CC[NH+](CCCCCO)CC1 ZINC000709773606 712222071 /nfs/dbraw/zinc/22/20/71/712222071.db2.gz RDYWKGYSNDZFMA-UHFFFAOYSA-N 2 0 228.380 1.565 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1CCN(C3CC3)C1)[NH2+]2 ZINC000709487732 712222828 /nfs/dbraw/zinc/22/28/28/712222828.db2.gz BRFSBNGTNKGYDP-CYHVGBIXSA-N 2 0 249.402 1.342 20 0 BDADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000709823591 712228647 /nfs/dbraw/zinc/22/86/47/712228647.db2.gz PYRHQTHBAOSFJA-IHRRRGAJSA-N 2 0 216.328 1.998 20 0 BDADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC[C@H]1CCCO1)C2 ZINC000709828353 712228732 /nfs/dbraw/zinc/22/87/32/712228732.db2.gz UVODKOZETDKPGE-ZDEQEGDKSA-N 2 0 224.348 1.367 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000709892627 712231110 /nfs/dbraw/zinc/23/11/10/712231110.db2.gz NSBQTRIWCRLVKB-MJBXVCDLSA-N 2 0 238.375 1.487 20 0 BDADRP Cc1cnc(CN2CC[C@]3(C2)CCC[NH2+]C3)cn1 ZINC000709902803 712232006 /nfs/dbraw/zinc/23/20/06/712232006.db2.gz DRNGZNYQRBADKB-CQSZACIVSA-N 2 0 246.358 1.361 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCc2ccns2)C1 ZINC000710028999 712241848 /nfs/dbraw/zinc/24/18/48/712241848.db2.gz ZRSHFBXPEUKKCX-UWVGGRQHSA-N 2 0 225.361 1.545 20 0 BDADRP CCOC(=O)[C@H](C)[N@H+](C)CCCCCC[NH3+] ZINC000710704686 712255054 /nfs/dbraw/zinc/25/50/54/712255054.db2.gz CTPMSSFLBWVIQA-NSHDSACASA-N 2 0 230.352 1.389 20 0 BDADRP Cn1nccc1CC[N@H+](C)CCCCCC[NH3+] ZINC000710714969 712255269 /nfs/dbraw/zinc/25/52/69/712255269.db2.gz WVXCVNQHWFWIMG-UHFFFAOYSA-N 2 0 238.379 1.414 20 0 BDADRP C[C@H](c1cnccn1)[N@H+](C)CCCCCC[NH3+] ZINC000710714766 712255893 /nfs/dbraw/zinc/25/58/93/712255893.db2.gz USLRJRZEDPZUPK-GFCCVEGCSA-N 2 0 236.363 1.989 20 0 BDADRP CC(C)=CCC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710588635 712263077 /nfs/dbraw/zinc/26/30/77/712263077.db2.gz MZXUIHIQDXMVJD-UHFFFAOYSA-N 2 0 240.391 1.731 20 0 BDADRP CC(C)=CC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710641283 712264838 /nfs/dbraw/zinc/26/48/38/712264838.db2.gz HKAQPCDWCDRNTC-UHFFFAOYSA-N 2 0 226.364 1.341 20 0 BDADRP CC[C@H]1COC[C@H]1[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000711106560 712280847 /nfs/dbraw/zinc/28/08/47/712280847.db2.gz GDCVRHZRHLJDAY-GXTWGEPZSA-N 2 0 240.391 1.874 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000711428557 712299375 /nfs/dbraw/zinc/29/93/75/712299375.db2.gz ZLWMXYMFTRZHHW-QJPTWQEYSA-N 2 0 238.375 1.804 20 0 BDADRP C[C@@]1(C[N@@H+]2CC[C@@H](CF)C2)CC[NH2+]C1 ZINC000711519708 712308632 /nfs/dbraw/zinc/30/86/32/712308632.db2.gz NAEZQEBNVKTJPY-WDEREUQCSA-N 2 0 200.301 1.277 20 0 BDADRP C1=C[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000711731103 712319912 /nfs/dbraw/zinc/31/99/12/712319912.db2.gz LPQYYIFRGNSDTG-ACJTYDJDSA-N 2 0 206.333 1.825 20 0 BDADRP CC[C@H]1C[N@H+](CCOC2CC2)CC[C@@H]1[NH3+] ZINC000711731112 712320016 /nfs/dbraw/zinc/32/00/16/712320016.db2.gz MAERFDKLNGBMDP-JQWIXIFHSA-N 2 0 212.337 1.225 20 0 BDADRP C[C@@H]1CN[C@@H](C)[C@@H](C)[N@H+]1CCCCCC[NH3+] ZINC000923434914 712322641 /nfs/dbraw/zinc/32/26/41/712322641.db2.gz CJIAHTVVLPEDHP-FRRDWIJNSA-N 2 0 227.396 1.576 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H]2C=CCC2)C12CCC2 ZINC000711754246 712324706 /nfs/dbraw/zinc/32/47/06/712324706.db2.gz TZYWZAGMWGPOTE-QJPTWQEYSA-N 2 0 206.333 1.812 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2coc(C3CC3)n2)C1 ZINC000923479007 712334770 /nfs/dbraw/zinc/33/47/70/712334770.db2.gz LHOKYHCRADDGEW-SNVBAGLBSA-N 2 0 235.331 1.723 20 0 BDADRP C[C@@H]1CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000379787013 712398760 /nfs/dbraw/zinc/39/87/60/712398760.db2.gz IENXQESMUOOYPU-JVGWCMFKSA-N 2 0 208.349 2.000 20 0 BDADRP C[C@H]1CC[C@@H](C[N@@H+]2CC[NH2+]CCC23CCC3)O1 ZINC000713209542 712455275 /nfs/dbraw/zinc/45/52/75/712455275.db2.gz CIKWYQYNKAOPDM-STQMWFEESA-N 2 0 238.375 1.772 20 0 BDADRP [NH3+]C[C@@H]1CCCN(CCCOC(F)(F)F)C1 ZINC000713398450 712458979 /nfs/dbraw/zinc/45/89/79/712458979.db2.gz KROYSDAAILCNNA-VIFPVBQESA-N 2 0 240.269 1.584 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](CCCOC(F)(F)F)C1 ZINC000713428023 712459511 /nfs/dbraw/zinc/45/95/11/712459511.db2.gz CXFZEKILGPYDBG-VIFPVBQESA-N 2 0 240.269 1.584 20 0 BDADRP C[N@H+](C[C@@H]1CCC(C)(C)CO1)C1CC[NH2+]CC1 ZINC000713584457 712466115 /nfs/dbraw/zinc/46/61/15/712466115.db2.gz FUNOEYPCBLRWJF-ZDUSSCGKSA-N 2 0 240.391 1.875 20 0 BDADRP CC1(C)CC[C@H](C[N@@H+]2CC[C@@H](CC[NH3+])C2)OC1 ZINC000713597979 712466394 /nfs/dbraw/zinc/46/63/94/712466394.db2.gz XFJLLBSZHJKWCM-CHWSQXEVSA-N 2 0 240.391 1.862 20 0 BDADRP C=C/C=C/CC[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000713759796 712471766 /nfs/dbraw/zinc/47/17/66/712471766.db2.gz TZBKZDHTVLDSJB-AAOUONPWSA-N 2 0 210.321 1.168 20 0 BDADRP C[N@H+](CCOCC[NH3+])C[C@H]1CCCC(C)(C)O1 ZINC000714332614 712482285 /nfs/dbraw/zinc/48/22/85/712482285.db2.gz ZRYSPPROGLGFOY-GFCCVEGCSA-N 2 0 244.379 1.241 20 0 BDADRP CCCn1cc(CNCC2=CC[N@H+](C)CC2)nn1 ZINC000714413604 712485845 /nfs/dbraw/zinc/48/58/45/712485845.db2.gz BDJMZFGSMDPAON-UHFFFAOYSA-N 2 0 249.362 1.040 20 0 BDADRP CC(C)(C[NH3+])C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000714439825 712488586 /nfs/dbraw/zinc/48/85/86/712488586.db2.gz RFVROEDDEZCMKL-GFCCVEGCSA-N 2 0 240.391 1.720 20 0 BDADRP COC[C@@H](C)C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714449169 712489669 /nfs/dbraw/zinc/48/96/69/712489669.db2.gz VFSUXMPEKPPGKY-LBPRGKRZSA-N 2 0 242.407 1.966 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000714722032 712496413 /nfs/dbraw/zinc/49/64/13/712496413.db2.gz HYHXPJGKRGDGJE-ZDEQEGDKSA-N 2 0 226.364 1.532 20 0 BDADRP CCC1([NH3+])CC[NH+](C[C@H]2CCSC2)CC1 ZINC000714754068 712497812 /nfs/dbraw/zinc/49/78/12/712497812.db2.gz PBFJKBDVVFWWNC-LLVKDONJSA-N 2 0 228.405 1.943 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCOC1CC1 ZINC000714972384 712502834 /nfs/dbraw/zinc/50/28/34/712502834.db2.gz KSFGOQHIQYPOIP-NSHDSACASA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000715236466 712513882 /nfs/dbraw/zinc/51/38/82/712513882.db2.gz RJXSXJAOSDFAJC-RDBSUJKOSA-N 2 0 242.407 2.000 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@@H]1CC13CC3)[NH2+]2 ZINC000715261515 712514905 /nfs/dbraw/zinc/51/49/05/712514905.db2.gz NSZOAQMJSOMFEC-IYKVGLELSA-N 2 0 206.333 1.658 20 0 BDADRP CC1(C)CN(C[C@@H]2CC[C@H](C3CC3)O2)C[C@H]1[NH3+] ZINC000715412093 712517517 /nfs/dbraw/zinc/51/75/17/712517517.db2.gz FPYDRHMKDFZWJX-YNEHKIRRSA-N 2 0 238.375 1.613 20 0 BDADRP FC1(F)[C@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@H]21 ZINC000715464196 712519926 /nfs/dbraw/zinc/51/99/26/712519926.db2.gz ZQWIJKHFHGNCAQ-AOOOYVTPSA-N 2 0 216.275 1.183 20 0 BDADRP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CCOC2)CC1 ZINC000715488982 712520717 /nfs/dbraw/zinc/52/07/17/712520717.db2.gz ACCKEDVCLYNZLU-OTTFEQOBSA-N 2 0 226.364 1.628 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](C[C@@H]2CC[C@@H](C3CC3)O2)C1 ZINC000715509178 712524756 /nfs/dbraw/zinc/52/47/56/712524756.db2.gz MIUQNUNEVZQLKV-UBHSHLNASA-N 2 0 238.375 1.615 20 0 BDADRP C[C@@H]1[C@@H]([NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)CO[C@H]1C ZINC000715545846 712527086 /nfs/dbraw/zinc/52/70/86/712527086.db2.gz ZBUPGNDBBNZMEQ-QNSTZXKLSA-N 2 0 240.391 1.872 20 0 BDADRP C[C@H](C[C@H]1COCCN1)[NH2+]CCCCC1CC1 ZINC000716370466 712556997 /nfs/dbraw/zinc/55/69/97/712556997.db2.gz IOGCXZHWPVSHAF-OCCSQVGLSA-N 2 0 240.391 1.923 20 0 BDADRP C[N@H+](CCCF)C[C@]1(C)CCC[NH2+]C1 ZINC000716754730 712572486 /nfs/dbraw/zinc/57/24/86/712572486.db2.gz VXLDGKOVBYRILU-LLVKDONJSA-N 2 0 202.317 1.668 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CC[C@@H]2C[C@@H]21)C1C[NH2+]C1 ZINC000717018738 712604682 /nfs/dbraw/zinc/60/46/82/712604682.db2.gz VRBPCDQWUVVBAV-MEWQQHAOSA-N 2 0 208.349 1.620 20 0 BDADRP CO[C@@H]1CCC[C@@H]1[NH2+][C@H](C)CC[NH+](C)C ZINC000379844648 712616540 /nfs/dbraw/zinc/61/65/40/712616540.db2.gz HORBBQQQXNBWIY-GRYCIOLGSA-N 2 0 214.353 1.484 20 0 BDADRP CC(C)[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000717052841 712625622 /nfs/dbraw/zinc/62/56/22/712625622.db2.gz WWBQTKFXZUZYEE-UWVGGRQHSA-N 2 0 220.307 1.865 20 0 BDADRP CC1(C)CO[C@H](C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000717283750 712644515 /nfs/dbraw/zinc/64/45/15/712644515.db2.gz FRKWUWJCMLOXFR-UTUOFQBUSA-N 2 0 226.364 1.661 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC=CO1 ZINC000380003248 712651850 /nfs/dbraw/zinc/65/18/50/712651850.db2.gz ABOHMCHBSADLJO-TUAOUCFPSA-N 2 0 210.321 1.396 20 0 BDADRP CC(C)[C@@](C)(C[NH3+])[NH2+]CCOC1CC1 ZINC000717731049 712668175 /nfs/dbraw/zinc/66/81/75/712668175.db2.gz YJBGIECAWTYPCN-LLVKDONJSA-N 2 0 200.326 1.128 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)NCCC[NH+]1CCCC1 ZINC000037621469 712682304 /nfs/dbraw/zinc/68/23/04/712682304.db2.gz HUTLJFIIEXOUJO-CYBMUJFWSA-N 2 0 241.379 1.106 20 0 BDADRP CO[C@H]1CCC[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000380060972 712684513 /nfs/dbraw/zinc/68/45/13/712684513.db2.gz ZNCGMKKQCJHCFY-RYUDHWBXSA-N 2 0 214.353 1.485 20 0 BDADRP C1CC1[N@@H+]1CC[C@@H](N[C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925495706 712698617 /nfs/dbraw/zinc/69/86/17/712698617.db2.gz NGHNQCLHGOSVHA-TZMCWYRMSA-N 2 0 249.402 1.487 20 0 BDADRP CC[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000717922908 712733647 /nfs/dbraw/zinc/73/36/47/712733647.db2.gz NWBIXSVGGSETND-RNJOBUHISA-N 2 0 226.364 1.613 20 0 BDADRP CO[C@H]1CCC[C@H]([NH2+]CCC[NH+](C)C)CC1 ZINC000718731996 712779063 /nfs/dbraw/zinc/77/90/63/712779063.db2.gz HVQIYHMKMNHBLS-STQMWFEESA-N 2 0 228.380 1.875 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+]CCC[NH+](C)C)CC1 ZINC000718731993 712779235 /nfs/dbraw/zinc/77/92/35/712779235.db2.gz HVQIYHMKMNHBLS-OLZOCXBDSA-N 2 0 228.380 1.875 20 0 BDADRP COCC(C)(C)CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000718757292 712780224 /nfs/dbraw/zinc/78/02/24/712780224.db2.gz AMWJWVIFQNIQJB-NEPJUHHUSA-N 2 0 228.380 1.779 20 0 BDADRP C[C@@H]1[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@@H+]1C ZINC000719620160 712817086 /nfs/dbraw/zinc/81/70/86/712817086.db2.gz VEWMMZWNKFZYGI-JWURUJNWSA-N 2 0 237.391 1.294 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000720754985 712863682 /nfs/dbraw/zinc/86/36/82/712863682.db2.gz HOHIVOKHQKHSAF-GFCCVEGCSA-N 2 0 246.354 1.792 20 0 BDADRP CC1(C)CN(C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C[C@H]1[NH3+] ZINC000720790211 712866050 /nfs/dbraw/zinc/86/60/50/712866050.db2.gz WAYBOLNGYRODME-ZDEQEGDKSA-N 2 0 238.375 1.613 20 0 BDADRP [NH3+]C[C@H]1C[N@H+](CC2CCC2)C[C@H]1C(F)(F)F ZINC000720874699 712872648 /nfs/dbraw/zinc/87/26/48/712872648.db2.gz ZDAWAWPBVWRCHG-VHSXEESVSA-N 2 0 236.281 1.856 20 0 BDADRP C[NH+](C)[C@H]1CCCN(c2cc(N)cc[nH+]2)C1 ZINC000084419425 721885321 /nfs/dbraw/zinc/88/53/21/721885321.db2.gz GQHHOVGETNTHKA-NSHDSACASA-N 2 0 220.320 1.194 20 0 BDADRP C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C[C@@H]1CCCOC1 ZINC000693578395 958868711 /nfs/dbraw/zinc/86/87/11/958868711.db2.gz LIGLQLLNRNDLOL-SDDRHHMPSA-N 2 0 212.337 1.082 20 0 BDADRP C[NH2+]CCC[N@H+](C)[C@@H]1CC[C@@H](SC)C1 ZINC000309083874 959595240 /nfs/dbraw/zinc/59/52/40/959595240.db2.gz UPDOIUHQJOIIIV-GHMZBOCLSA-N 2 0 216.394 1.812 20 0 BDADRP CC[C@H](CCO)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925624640 960472339 /nfs/dbraw/zinc/47/23/39/960472339.db2.gz ZGOKABVNFPKLLU-UTUOFQBUSA-N 2 0 228.380 1.643 20 0 BDADRP C[C@@]1([NH3+])CC[N@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001204763234 963371273 /nfs/dbraw/zinc/37/12/73/963371273.db2.gz IKCHKUQWEBHGJO-QNWHQSFQSA-N 2 0 206.333 1.622 20 0 BDADRP C[C@@H]([NH3+])CCNc1cc(C[NH+](C)C)ccn1 ZINC001159778687 964192234 /nfs/dbraw/zinc/19/22/34/964192234.db2.gz QZLWMAZRDGBBTK-SNVBAGLBSA-N 2 0 222.336 1.292 20 0 BDADRP Cc1nc(N[C@@H]([NH3+])CCC[NH3+])ccc1Cl ZINC001159786185 964196209 /nfs/dbraw/zinc/19/62/09/964196209.db2.gz WVWCSJODILIWJY-SECBINFHSA-N 2 0 228.727 1.479 20 0 BDADRP C[C@H]1C[N@@H+](C2CCC([NH+](C)C)CC2)C[C@@H]1O ZINC001168314468 964418793 /nfs/dbraw/zinc/41/87/93/964418793.db2.gz LZAXQEVCZIUPLV-WTIISPKJSA-N 2 0 226.364 1.172 20 0 BDADRP CO[C@@H](C[NH2+]CC[C@@H](C)[NH+](C)C)C1CC1 ZINC000697877178 964603845 /nfs/dbraw/zinc/60/38/45/964603845.db2.gz BBNMJJUTDKYSRG-PWSUYJOCSA-N 2 0 214.353 1.341 20 0 BDADRP COCCCC[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205255873 967442948 /nfs/dbraw/zinc/44/29/48/967442948.db2.gz MLYANGGLGNYTBH-GFCCVEGCSA-N 2 0 214.353 1.616 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)CC1 ZINC001205257907 967452205 /nfs/dbraw/zinc/45/22/05/967452205.db2.gz YLZFHGDKSMIGON-CQSZACIVSA-N 3 0 239.407 1.532 20 0 BDADRP Cc1cc(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)[nH]n1 ZINC001205545522 967691127 /nfs/dbraw/zinc/69/11/27/967691127.db2.gz IWIWQVDGPAPBNY-LBPRGKRZSA-N 2 0 240.326 1.371 20 0 BDADRP CCCC[C@H](O)C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC001252120000 968604957 /nfs/dbraw/zinc/60/49/57/968604957.db2.gz LGJTUGJBNWEJIG-AVGNSLFASA-N 2 0 228.380 1.467 20 0 BDADRP CCCC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC001252120001 968606493 /nfs/dbraw/zinc/60/64/93/968606493.db2.gz LGJTUGJBNWEJIG-FRRDWIJNSA-N 2 0 228.380 1.467 20 0 BDADRP CCN(CC)CC[N@H+](C)CC1CC[NH+](C)CC1 ZINC001207392031 968748121 /nfs/dbraw/zinc/74/81/21/968748121.db2.gz UFVGFLDVALPKHA-UHFFFAOYSA-N 2 0 241.423 1.602 20 0 BDADRP CCCO[C@@H]1CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC001207398524 968752047 /nfs/dbraw/zinc/75/20/47/968752047.db2.gz XAVMABZEKCAPTN-CQSZACIVSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@@]1(F)CC[N@H+](CC2CC[NH2+]CC2)C[C@H]1F ZINC001207436839 968768221 /nfs/dbraw/zinc/76/82/21/968768221.db2.gz RTPWFCCJGCCRGT-VXGBXAGGSA-N 2 0 232.318 1.758 20 0 BDADRP C[NH+]1CCC(CC[N@@H+]2C[C@@H]3C[C@H]2CO3)CC1 ZINC001207483851 968798485 /nfs/dbraw/zinc/79/84/85/968798485.db2.gz IOFHMUZXCKOYIM-STQMWFEESA-N 2 0 224.348 1.191 20 0 BDADRP C[C@H]1C[N@H+](CCC2CC[NH+](C)CC2)CC[C@H]1O ZINC001207479965 968799066 /nfs/dbraw/zinc/79/90/66/968799066.db2.gz QVCTWIATSPIKSJ-GXTWGEPZSA-N 2 0 240.391 1.421 20 0 BDADRP CCC[C@H](O)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001252804326 968991155 /nfs/dbraw/zinc/99/11/55/968991155.db2.gz KUXNDSLVNTYUDD-CRWXNKLISA-N 2 0 240.391 1.752 20 0 BDADRP C[C@@H]1C[N@H+](CC2(C)CC[NH+](C)CC2)CC[C@H]1O ZINC001208107053 968998600 /nfs/dbraw/zinc/99/86/00/968998600.db2.gz IXDVPQDIJWMULV-CHWSQXEVSA-N 2 0 240.391 1.421 20 0 BDADRP CC[C@H]1COCC[N@@H+]1CC1CC[NH+](CC)CC1 ZINC001208598066 969148257 /nfs/dbraw/zinc/14/82/57/969148257.db2.gz RZVVPJPDDYPEFG-AWEZNQCLSA-N 2 0 240.391 1.829 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2C[C@@H](C)C[C@H]2CO)CC1 ZINC001208593142 969151729 /nfs/dbraw/zinc/15/17/29/969151729.db2.gz OJWQLZZHNAMIPM-JSGCOSHPSA-N 2 0 240.391 1.421 20 0 BDADRP CO[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH+](C)C2)CC1 ZINC001208613446 969172876 /nfs/dbraw/zinc/17/28/76/969172876.db2.gz UGJZPRXRUDXUAP-ZIAGYGMSSA-N 2 0 240.391 1.829 20 0 BDADRP COCOCCC[N@@H+]1C[C@@H]2CCCN(C)[C@@H]2C1 ZINC001209032715 969327889 /nfs/dbraw/zinc/32/78/89/969327889.db2.gz UDVCPPHVHWYSGT-QWHCGFSZSA-N 2 0 242.363 1.023 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC(C)(C)CO)C2 ZINC001169081554 969405007 /nfs/dbraw/zinc/40/50/07/969405007.db2.gz SUQRWIABARGRIP-ZSBIGDGJSA-N 2 0 226.364 1.220 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC(C)(C)C(C)(C)[NH3+])C2 ZINC001169109920 969445941 /nfs/dbraw/zinc/44/59/41/969445941.db2.gz JRYJFATUXQNWDC-CNDDSTCGSA-N 2 0 239.407 1.717 20 0 BDADRP CC[NH+]1CCC([NH2+]CCN2CCCCO2)CC1 ZINC001169219499 969490534 /nfs/dbraw/zinc/49/05/34/969490534.db2.gz CTKYZIHPLNUODJ-UHFFFAOYSA-N 2 0 241.379 1.088 20 0 BDADRP CCN1CCC([NH2+]C2CC3(COC3)C2)CC1 ZINC001169225288 969493663 /nfs/dbraw/zinc/49/36/63/969493663.db2.gz QWGCNZNFQAITIJ-UHFFFAOYSA-N 2 0 224.348 1.239 20 0 BDADRP CCN(CC)C(=O)C[C@@H](C)N1CCC[C@H]([NH3+])C1 ZINC001169438292 969629475 /nfs/dbraw/zinc/62/94/75/969629475.db2.gz USLVEAOBPDHQQA-NEPJUHHUSA-N 2 0 241.379 1.057 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH+]2CC[C@@H](O)[C@H](F)CC2)CC1 ZINC001254515697 969686926 /nfs/dbraw/zinc/68/69/26/969686926.db2.gz AZOZPRRXHWTLDN-YNEHKIRRSA-N 2 0 244.354 1.266 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH+]2CC(C3COC3)C2)CC1 ZINC001254516990 969695735 /nfs/dbraw/zinc/69/57/35/969695735.db2.gz QTXWZSDHXOCOAF-ZDUSSCGKSA-N 2 0 224.348 1.049 20 0 BDADRP COC[C@@H]1CCC[N@@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254517838 969697101 /nfs/dbraw/zinc/69/71/01/969697101.db2.gz ZAJFAUBPJUXLDG-STQMWFEESA-N 2 0 226.364 1.582 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH+]2C[C@@H]3COC[C@@H]3C2)CC1 ZINC001254518105 969698283 /nfs/dbraw/zinc/69/82/83/969698283.db2.gz ATHJEMQQSJCTMP-FRRDWIJNSA-N 2 0 224.348 1.049 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254914294 969817217 /nfs/dbraw/zinc/81/72/17/969817217.db2.gz KZDARXMYGPIEGQ-ITGUQSILSA-N 2 0 238.375 1.676 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+](C3CCSCC3)C2)C1 ZINC001255094027 969932713 /nfs/dbraw/zinc/93/27/13/969932713.db2.gz KVPYHBWRTOEYCW-CYBMUJFWSA-N 2 0 240.416 1.910 20 0 BDADRP C[NH+](C)CC1CC[NH+]([C@@H]2CCSC2)CC1 ZINC001255287281 970042802 /nfs/dbraw/zinc/04/28/02/970042802.db2.gz ULCJNGHAILVNLL-GFCCVEGCSA-N 2 0 228.405 1.766 20 0 BDADRP CCCC[N@H+](C)CCCN[C@H]1CCC[NH+](C)C1 ZINC001255470326 970199542 /nfs/dbraw/zinc/19/95/42/970199542.db2.gz KWPPMKYGPULJPP-AWEZNQCLSA-N 2 0 241.423 1.792 20 0 BDADRP COC[C@H](C)[NH2+]CC12CC[NH+](CC1)CC2 ZINC001255560615 970346311 /nfs/dbraw/zinc/34/63/11/970346311.db2.gz SXNUBWLNMGHKCH-NSHDSACASA-N 2 0 212.337 1.097 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]CCn1ccnc1 ZINC001255940757 970565959 /nfs/dbraw/zinc/56/59/59/970565959.db2.gz GCMCHLPQTFNBCZ-ZDUSSCGKSA-N 2 0 238.379 1.593 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]C[C@H]1CCO1 ZINC001255942026 970577889 /nfs/dbraw/zinc/57/78/89/970577889.db2.gz BEGFRWNIPORJQU-NWDGAFQWSA-N 2 0 214.353 1.485 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]CC1CC(=O)C1 ZINC001255945720 970578686 /nfs/dbraw/zinc/57/86/86/970578686.db2.gz MZUQBBCHXQHBKG-LLVKDONJSA-N 2 0 226.364 1.676 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)NC(=[NH2+])SCC[NH3+] ZINC001255946167 970582135 /nfs/dbraw/zinc/58/21/35/970582135.db2.gz RHDOFAFTGISGNH-SNVBAGLBSA-N 3 0 246.424 1.323 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)NC1CC([NH3+])C1 ZINC001255948028 970584306 /nfs/dbraw/zinc/58/43/06/970584306.db2.gz CSIAUEYASICYKM-VOMCLLRMSA-N 2 0 213.369 1.186 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+][C@H]1CCC[C@H]1CO ZINC001255951372 970589238 /nfs/dbraw/zinc/58/92/38/970589238.db2.gz JNMCPZALVMHOHB-IHRRRGAJSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCCOC1)C1CC[NH2+]CC1 ZINC000400475810 970592176 /nfs/dbraw/zinc/59/21/76/970592176.db2.gz ZQRSTEFXMBXLKN-NEPJUHHUSA-N 2 0 226.364 1.391 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC001255957081 970598470 /nfs/dbraw/zinc/59/84/70/970598470.db2.gz ORXOGGABIHNRAR-XQQFMLRXSA-N 2 0 228.380 1.419 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@@H](OC)C1 ZINC001255957018 970598495 /nfs/dbraw/zinc/59/84/95/970598495.db2.gz OAIDQBJTRNQGQP-QWHCGFSZSA-N 2 0 228.380 1.828 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCCC[C@H](O)C1 ZINC001255958142 970598671 /nfs/dbraw/zinc/59/86/71/970598671.db2.gz YSSYQWFNOYQQHY-KBPBESRZSA-N 2 0 242.407 1.954 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[N@H+](C)[C@@H]1CCOC1 ZINC001255964416 970601534 /nfs/dbraw/zinc/60/15/34/970601534.db2.gz SAZXTUJMYBUWLG-CHWSQXEVSA-N 2 0 228.380 1.828 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[N@H+](C)CCC(=O)NC ZINC001255960218 970604212 /nfs/dbraw/zinc/60/42/12/970604212.db2.gz FXXDKMOBDLLECA-LBPRGKRZSA-N 2 0 243.395 1.175 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)[C@@H]1CCOC1 ZINC000400630609 970611750 /nfs/dbraw/zinc/61/17/50/970611750.db2.gz GMTKRPNZYUMFKP-DMDPSCGWSA-N 2 0 226.364 1.389 20 0 BDADRP CC(C)C[C@H](O)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400954794 970649168 /nfs/dbraw/zinc/64/91/68/970649168.db2.gz IYTPJYBLAHWZGF-SYQHCUMBSA-N 2 0 240.391 1.371 20 0 BDADRP C[NH+]1CCC(N2CCC([NH+]3CCC3)CC2)CC1 ZINC001256214788 970718573 /nfs/dbraw/zinc/71/85/73/970718573.db2.gz MFCDPDVBQRIMDU-UHFFFAOYSA-N 2 0 237.391 1.251 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CO[C@@H](C)C1 ZINC000401903150 970742743 /nfs/dbraw/zinc/74/27/43/970742743.db2.gz GGAYTNXSAWBLQV-OUAUKWLOSA-N 2 0 200.326 1.094 20 0 BDADRP CCSC[C@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001173312378 975224537 /nfs/dbraw/zinc/22/45/37/975224537.db2.gz TWBWFYXDFRALEH-SDDRHHMPSA-N 2 0 228.405 1.621 20 0 BDADRP CC(C)OCC[N@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001277658206 978044838 /nfs/dbraw/zinc/04/48/38/978044838.db2.gz OSNYEUYAQANIMK-OKILXGFUSA-N 2 0 240.391 1.685 20 0 BDADRP CC[NH2+][C@@H](C)C(=O)N(C)C1(C[NH3+])CCCCC1 ZINC001337035302 978136016 /nfs/dbraw/zinc/13/60/16/978136016.db2.gz RSKDMBNVRQNOKR-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP CCOCC[NH+]1CCC2(CC[N@H+](C)C2)CC1 ZINC001277856907 978836314 /nfs/dbraw/zinc/83/63/14/978836314.db2.gz XOFPXBPNUHVQLM-UHFFFAOYSA-N 2 0 226.364 1.441 20 0 BDADRP CC[NH+]1CCC(C[N@H+](C)CCCOC)CC1 ZINC001180257488 978849763 /nfs/dbraw/zinc/84/97/63/978849763.db2.gz DMEFVIHGJSTVEC-UHFFFAOYSA-N 2 0 228.380 1.687 20 0 BDADRP C[C@@H](N)C[N@@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235151324 978980680 /nfs/dbraw/zinc/98/06/80/978980680.db2.gz GEIBBWIYYJAJNH-YPMHNXCESA-N 2 0 225.380 1.188 20 0 BDADRP C[N@H+](CC[C@H]1CCCC[NH2+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236222063 979455540 /nfs/dbraw/zinc/45/55/40/979455540.db2.gz KQLZFLKKMLORON-MGPQQGTHSA-N 3 0 239.407 1.720 20 0 BDADRP C[C@H]1[C@H]([NH3+])CCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC001236414116 979586358 /nfs/dbraw/zinc/58/63/58/979586358.db2.gz JSOYFHZBKPLADY-WCQYABFASA-N 3 0 225.380 1.188 20 0 BDADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC001342161763 979682919 /nfs/dbraw/zinc/68/29/19/979682919.db2.gz YRGQPECMSUKHGD-USZNOCQGSA-N 2 0 241.379 1.088 20 0 BDADRP C[NH2+][C@H](C)CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC001345103462 980549760 /nfs/dbraw/zinc/54/97/60/980549760.db2.gz FSOAZOPXTHCMPD-XJFOESAGSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H]1CCN(C[C@@H]2CCCC[NH2+]2)CC[C@H]1C[NH3+] ZINC001205601383 981162879 /nfs/dbraw/zinc/16/28/79/981162879.db2.gz DYVTXRILUUPASZ-RDBSUJKOSA-N 2 0 239.407 1.435 20 0 BDADRP OC[C@H]1CCC[C@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC001580884680 981701591 /nfs/dbraw/zinc/70/15/91/981701591.db2.gz LXIPXAHSBZTHOD-UTUOFQBUSA-N 2 0 224.348 1.022 20 0 BDADRP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1CCCCCC[NH3+] ZINC001205902551 983115159 /nfs/dbraw/zinc/11/51/59/983115159.db2.gz KGVUQDOJUFESRE-QWHCGFSZSA-N 3 0 227.396 1.565 20 0 BDADRP CCCC[C@H](O)C[NH2+]CCC[NH+]1CCCC1 ZINC001252078498 983304585 /nfs/dbraw/zinc/30/45/85/983304585.db2.gz SJURHQHLFNPSHE-ZDUSSCGKSA-N 2 0 228.380 1.613 20 0 BDADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001354424494 983305686 /nfs/dbraw/zinc/30/56/86/983305686.db2.gz QKHZUYRNMQNLTK-USZNOCQGSA-N 2 0 241.379 1.007 20 0 BDADRP C[NH+](C)CCN1CC[NH+](CC2CCCC2)CC1 ZINC001202120062 983560758 /nfs/dbraw/zinc/56/07/58/983560758.db2.gz FAWDEXVNOUDRIE-UHFFFAOYSA-N 2 0 239.407 1.356 20 0 BDADRP CCOCC[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC001172422663 974695649 /nfs/dbraw/zinc/69/56/49/974695649.db2.gz GWCMDUUOOMBAKB-OUAUKWLOSA-N 2 0 200.326 1.271 20 0 BDADRP [NH3+]C[C@@H]1C[N@@H+]([C@H]2CCCOCC2)CCC1(F)F ZINC001246553704 972744975 /nfs/dbraw/zinc/74/49/75/972744975.db2.gz BXTBTPLJROKTBQ-MNOVXSKESA-N 2 0 248.317 1.471 20 0 BDADRP CC[N@@H+]1CC[C@H](NCC[C@@H](C)[NH2+]C)[C@H](C)C1 ZINC001327838033 972754771 /nfs/dbraw/zinc/75/47/71/972754771.db2.gz CPXHZNNKZOLGSP-UPJWGTAASA-N 2 0 227.396 1.304 20 0 BDADRP CSCC[C@H](C)[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246557314 972776669 /nfs/dbraw/zinc/77/66/69/972776669.db2.gz HUJBSYODJNUIBK-NWDGAFQWSA-N 2 0 246.420 1.304 20 0 BDADRP C[C@@H]1CC[C@H](N2CCC(F)(F)[C@H](C[NH3+])C2)C[NH2+]1 ZINC001246561671 972794166 /nfs/dbraw/zinc/79/41/66/972794166.db2.gz SABBTADPWPUBRW-MXWKQRLJSA-N 2 0 247.333 1.043 20 0 BDADRP CC(C)C[C@@H](C)C[C@@H](C)N(CC[NH3+])CC[NH3+] ZINC001246835174 973131653 /nfs/dbraw/zinc/13/16/53/973131653.db2.gz VUUCSQMYCHULQF-CHWSQXEVSA-N 2 0 229.412 1.667 20 0 BDADRP C[NH2+]C1CCC(N2CC3(C2)CCCC[NH2+]3)CC1 ZINC001246831049 973127147 /nfs/dbraw/zinc/12/71/47/973127147.db2.gz ARBLXKBACYJARA-UHFFFAOYSA-N 2 0 237.391 1.345 20 0 BDADRP CCC1(Nc2ncc(C)cc2C[NH3+])C[NH2+]C1 ZINC001157784891 970805126 /nfs/dbraw/zinc/80/51/26/970805126.db2.gz OJABQKGVLAIKOQ-UHFFFAOYSA-N 2 0 220.320 1.013 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)Cc1ccco1 ZINC000234739617 973733948 /nfs/dbraw/zinc/73/39/48/973733948.db2.gz DRNXWGWIHANBNE-NWDGAFQWSA-N 2 0 240.347 1.554 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CC(C)(C)SC ZINC000234778852 973742747 /nfs/dbraw/zinc/74/27/47/973742747.db2.gz GCQKSSXQNOIPMP-JTQLQIEISA-N 2 0 234.409 1.472 20 0 BDADRP CC(C)(C)[NH+]1CCC([N@@H+]2CCC[C@H]2CO)CC1 ZINC001256570121 970867838 /nfs/dbraw/zinc/86/78/38/970867838.db2.gz YLCYJVAKINJUOH-ZDUSSCGKSA-N 2 0 240.391 1.706 20 0 BDADRP Cc1cc(C[NH3+])nn1C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256614219 970878811 /nfs/dbraw/zinc/87/88/11/970878811.db2.gz IUGGRRBKYJKYMO-FUNVUKJBSA-N 2 0 234.347 1.448 20 0 BDADRP C[C@@H]1COCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001256621876 970887355 /nfs/dbraw/zinc/88/73/55/970887355.db2.gz ASGGRXGJFFICMH-ICIURTGMSA-N 2 0 238.375 1.580 20 0 BDADRP C[C@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001256624365 970891364 /nfs/dbraw/zinc/89/13/64/970891364.db2.gz XPKOHCMWHSJTIP-ACJTYDJDSA-N 2 0 208.349 1.953 20 0 BDADRP [NH3+]C[C@H]1C[N@H+](CC2CCOCC2)CCC1(F)F ZINC000403217078 970895785 /nfs/dbraw/zinc/89/57/85/970895785.db2.gz GWUWZQMOOXQEKH-NSHDSACASA-N 2 0 248.317 1.329 20 0 BDADRP CC[C@@H](C)C[NH2+]CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001130203305 970948147 /nfs/dbraw/zinc/94/81/47/970948147.db2.gz IYEYQJWSIWRJFZ-VXGBXAGGSA-N 2 0 243.395 1.079 20 0 BDADRP COC(=O)[C@@H]1CC[C@@H]([N@H+](CCC[NH3+])C(C)C)C1 ZINC001170503096 971002477 /nfs/dbraw/zinc/00/24/77/971002477.db2.gz BZPVGYLNGQRKAM-VXGBXAGGSA-N 2 0 242.363 1.387 20 0 BDADRP C[C@@H]1C[C@@H](NC(=[NH2+])SCC[NH3+])C[C@H](C)O1 ZINC001257074671 971088280 /nfs/dbraw/zinc/08/82/80/971088280.db2.gz SDWPCWVASQGCIA-AYMMMOKOSA-N 2 0 231.365 1.159 20 0 BDADRP C[C@H]1CC([N@H+](C)CCC[NH+](C)C)C[C@H](C)O1 ZINC001257088308 971102956 /nfs/dbraw/zinc/10/29/56/971102956.db2.gz YQFXPKPHNPZCIN-RYUDHWBXSA-N 2 0 228.380 1.826 20 0 BDADRP CCC(CC)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001257302549 971193352 /nfs/dbraw/zinc/19/33/52/971193352.db2.gz YFSXHWWRRWETLY-AWEZNQCLSA-N 2 0 240.391 1.972 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000405197021 971209294 /nfs/dbraw/zinc/20/92/94/971209294.db2.gz AVQJWEHGYCHLFU-CHWSQXEVSA-N 3 0 237.391 1.188 20 0 BDADRP CO[C@H](C)CC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405206943 971209966 /nfs/dbraw/zinc/20/99/66/971209966.db2.gz AUIXMMFPWVEJJQ-VWYCJHECSA-N 2 0 212.337 1.271 20 0 BDADRP CC(C)(CO)CC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405266295 971219980 /nfs/dbraw/zinc/21/99/80/971219980.db2.gz PPZMWKXMKVXLLE-WDEREUQCSA-N 2 0 226.364 1.255 20 0 BDADRP [NH3+][C@@H]1C[C@H](NC2CC[NH+](C3CC3)CC2)C12CCC2 ZINC000405245601 971217582 /nfs/dbraw/zinc/21/75/82/971217582.db2.gz ZRMKFIKIRBKFFJ-KGLIPLIRSA-N 2 0 249.402 1.473 20 0 BDADRP CC[N@@H+]1CC[C@H](CN[C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000405242432 971221169 /nfs/dbraw/zinc/22/11/69/971221169.db2.gz WXCRCUUJACJLQT-FRRDWIJNSA-N 2 0 237.391 1.188 20 0 BDADRP C[C@@H](Nc1cc[nH+]c(C2CC2)c1)[C@H]1C[NH2+]CCO1 ZINC001170572878 971225751 /nfs/dbraw/zinc/22/57/51/971225751.db2.gz IERDNVBDSXRSTD-QMTHXVAHSA-N 2 0 247.342 1.748 20 0 BDADRP C[C@H](O)CC(C)(C)C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405287062 971225870 /nfs/dbraw/zinc/22/58/70/971225870.db2.gz FHECCEICSZHGIA-TUAOUCFPSA-N 2 0 240.391 1.643 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405307991 971229786 /nfs/dbraw/zinc/22/97/86/971229786.db2.gz LSQVAOZNKUZFEX-SDDRHHMPSA-N 2 0 226.364 1.110 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H]2CCC=CO2)C12CCC2 ZINC000405304292 971231092 /nfs/dbraw/zinc/23/10/92/971231092.db2.gz KARTVPBTSNJGLQ-IJLUTSLNSA-N 2 0 222.332 1.539 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405307993 971234217 /nfs/dbraw/zinc/23/42/17/971234217.db2.gz LSQVAOZNKUZFEX-SRVKXCTJSA-N 2 0 226.364 1.110 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CS1 ZINC000405340836 971234720 /nfs/dbraw/zinc/23/47/20/971234720.db2.gz CQESVXYMOQMUQZ-LMLFDSFASA-N 2 0 226.389 1.740 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCSC2)C12CCC2 ZINC000405329050 971235393 /nfs/dbraw/zinc/23/53/93/971235393.db2.gz VVGDBELJSZAWST-AEJSXWLSSA-N 2 0 212.362 1.351 20 0 BDADRP CCOCC(C)(C)C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405333127 971237334 /nfs/dbraw/zinc/23/73/34/971237334.db2.gz FDGDFVDSXAWGGK-VXGBXAGGSA-N 2 0 240.391 1.909 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC[C@H]2CCCO2)C12CCC2 ZINC000405346369 971241370 /nfs/dbraw/zinc/24/13/70/971241370.db2.gz LCOSYERNDBDKPR-IJLUTSLNSA-N 2 0 224.348 1.415 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCCOCC2CC2)C12CCC2 ZINC000405358917 971244640 /nfs/dbraw/zinc/24/46/40/971244640.db2.gz SPIKCJCJDARERQ-CHWSQXEVSA-N 2 0 238.375 1.663 20 0 BDADRP CCOC[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405367893 971244735 /nfs/dbraw/zinc/24/47/35/971244735.db2.gz XKSQQNMFCBFHHL-AXFHLTTASA-N 2 0 212.337 1.271 20 0 BDADRP CC[NH+](CC)CCN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405382931 971248931 /nfs/dbraw/zinc/24/89/31/971248931.db2.gz DJBXYLQDOCJBEX-VXGBXAGGSA-N 2 0 225.380 1.188 20 0 BDADRP CCCCOCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405394007 971249763 /nfs/dbraw/zinc/24/97/63/971249763.db2.gz HRJBIIZPVRJZOA-VXGBXAGGSA-N 2 0 226.364 1.663 20 0 BDADRP COC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)C(C)C ZINC000405444210 971252393 /nfs/dbraw/zinc/25/23/93/971252393.db2.gz WDSVYIBCCRMXOU-SDDRHHMPSA-N 2 0 226.364 1.517 20 0 BDADRP C[C@H](CC[NH+](C)C)N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405416445 971254476 /nfs/dbraw/zinc/25/44/76/971254476.db2.gz OMUOUJMRMOFALP-WOPDTQHZSA-N 2 0 225.380 1.186 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCC[C@@H]2CCOC2)C12CCC2 ZINC000405440829 971256813 /nfs/dbraw/zinc/25/68/13/971256813.db2.gz DNYUYGGJSHZHFL-JHJVBQTASA-N 2 0 238.375 1.663 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](O)C2CCC2)C12CCC2 ZINC000405451324 971260972 /nfs/dbraw/zinc/26/09/72/971260972.db2.gz GQUZGEBJLIPHQK-UTUOFQBUSA-N 2 0 224.348 1.007 20 0 BDADRP CC[N@H+]1C[C@@H]2C[NH+](C3CCCC3)C[C@@H]2C1 ZINC001257354600 971267308 /nfs/dbraw/zinc/26/73/08/971267308.db2.gz JVAZAEWFKCKFLN-TXEJJXNPSA-N 2 0 208.349 1.813 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H]2CO[C@H](C)[C@@H]2C)CC1 ZINC000405539923 971268705 /nfs/dbraw/zinc/26/87/05/971268705.db2.gz JCERQXUREZWSTQ-OUCADQQQSA-N 2 0 240.391 1.731 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H]2CO[C@@H](C)[C@@H]2C)CC1 ZINC000405539925 971270311 /nfs/dbraw/zinc/27/03/11/971270311.db2.gz JCERQXUREZWSTQ-SGMGOOAPSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@@H]1OC[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)[C@@H]1C ZINC000405654990 971285697 /nfs/dbraw/zinc/28/56/97/971285697.db2.gz NYTZQGZYAYRWLC-NTZNESFSSA-N 2 0 224.348 1.261 20 0 BDADRP CCCC[C@H](CC)NC(=[NH2+])NCCCC[NH3+] ZINC001257411717 971307343 /nfs/dbraw/zinc/30/73/43/971307343.db2.gz YPYBEYUIJDGUHG-NSHDSACASA-N 2 0 228.384 1.808 20 0 BDADRP CCCc1nnc([C@H](CCCC[NH3+])[NH2+]C)o1 ZINC001217703569 971345323 /nfs/dbraw/zinc/34/53/23/971345323.db2.gz VVFKWSSNOJDOJH-VIFPVBQESA-N 2 0 226.324 1.412 20 0 BDADRP COc1cc[nH+]c(N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000257642634 974081781 /nfs/dbraw/zinc/08/17/81/974081781.db2.gz FEMAZDYGHUITDS-UWVGGRQHSA-N 2 0 221.304 1.772 20 0 BDADRP C(C[C@@H]1CCC[NH2+]C1)O[C@@H]1CCCC[NH2+]C1 ZINC001217774058 971398049 /nfs/dbraw/zinc/39/80/49/971398049.db2.gz SSAHWPOVHWEKIN-QWHCGFSZSA-N 2 0 226.364 1.535 20 0 BDADRP C[C@@H]1C[NH2+]CCC[C@H]1OCC1(C)CC[NH2+]CC1 ZINC001217778161 971399387 /nfs/dbraw/zinc/39/93/87/971399387.db2.gz KPMGZAZBXNOLMG-CHWSQXEVSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@@H]1C[NH2+]CCC[C@H]1OC[C@@H]1CCC[NH2+]C1 ZINC001217779670 971399958 /nfs/dbraw/zinc/39/99/58/971399958.db2.gz NZEWPTXMXYRKFD-JHJVBQTASA-N 2 0 226.364 1.391 20 0 BDADRP CC(C)[C@H]([NH3+])CO[C@H]1C[NH2+]CCC[C@H]1F ZINC001217776563 971400356 /nfs/dbraw/zinc/40/03/56/971400356.db2.gz YDDGBHOSWDJCCL-MXWKQRLJSA-N 2 0 218.316 1.076 20 0 BDADRP C[C@@H](OC[C@@H]1CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC001217779032 971401156 /nfs/dbraw/zinc/40/11/56/971401156.db2.gz QLCISSAAWBBFHF-VXGBXAGGSA-N 2 0 226.364 1.391 20 0 BDADRP C[C@@H]1C[NH2+]CCC[C@@H]1OC[C@H]1COC(C)(C)[NH2+]1 ZINC001217782518 971404468 /nfs/dbraw/zinc/40/44/68/971404468.db2.gz VXBQVYGPEJSLGZ-WOPDTQHZSA-N 2 0 242.363 1.116 20 0 BDADRP C[C@@H]1C[C@H](OC[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001217791406 971411719 /nfs/dbraw/zinc/41/17/19/971411719.db2.gz NYUSLTYRRVNNRE-GRYCIOLGSA-N 2 0 212.337 1.143 20 0 BDADRP C(O[C@H]1CCC[C@]12CC[NH2+]C2)[C@@H]1CCC[NH2+]1 ZINC001217799482 971415368 /nfs/dbraw/zinc/41/53/68/971415368.db2.gz DZNIFFNJTMEWGZ-RWMBFGLXSA-N 2 0 224.348 1.287 20 0 BDADRP C[NH+](C)CCCCO[C@H]1CCC[N@H+](C)C1 ZINC001224991721 974121466 /nfs/dbraw/zinc/12/14/66/974121466.db2.gz ZNFIEFKGSRTKGB-LBPRGKRZSA-N 2 0 214.353 1.439 20 0 BDADRP c1cc2c(cc1CO[C@H]1CC[NH2+]C1)CC[NH2+]C2 ZINC001217821209 971417801 /nfs/dbraw/zinc/41/78/01/971417801.db2.gz DIAWCZBTWPISDO-AWEZNQCLSA-N 2 0 232.327 1.211 20 0 BDADRP C(O[C@@H]1CC[C@@H]2CCC[C@H]1[NH2+]2)[C@H]1CCC[NH2+]C1 ZINC001217819935 971418253 /nfs/dbraw/zinc/41/82/53/971418253.db2.gz HIOHHAKFXOIOID-IGQOVBAYSA-N 2 0 238.375 1.676 20 0 BDADRP CC[NH+]1CCC(OC[C@H]2CCC[NH2+]C2)CC1 ZINC001217834367 971425750 /nfs/dbraw/zinc/42/57/50/971425750.db2.gz WWXUIOXXGIRHSU-LBPRGKRZSA-N 2 0 226.364 1.487 20 0 BDADRP CCCCC[C@@H](C)[NH2+]CCC[N@H+](C)CCO ZINC001257508945 971429255 /nfs/dbraw/zinc/42/92/55/971429255.db2.gz MHTCYHNJNKABDN-CYBMUJFWSA-N 2 0 230.396 1.859 20 0 BDADRP C(CO[C@@H]1CCC12C[NH2+]C2)C[C@H]1CCC[NH2+]C1 ZINC001217850062 971444314 /nfs/dbraw/zinc/44/43/14/971444314.db2.gz QMDCHCVGPIYFRR-CHWSQXEVSA-N 2 0 238.375 1.535 20 0 BDADRP C(OC1CCC2(C[NH2+]C2)CC1)[C@H]1CCC[NH2+]C1 ZINC001217852487 971445240 /nfs/dbraw/zinc/44/52/40/971445240.db2.gz DMRVWSLYJLCKLH-LBPRGKRZSA-N 2 0 238.375 1.535 20 0 BDADRP F[C@@H]1[C@H]2CC[C@@H](C[C@H]1OC[C@@H]1CCC[NH2+]C1)[NH2+]2 ZINC001217858148 971448153 /nfs/dbraw/zinc/44/81/53/971448153.db2.gz QOJYXSQRLUHGKQ-NZEXEKPDSA-N 2 0 242.338 1.234 20 0 BDADRP [NH3+]Cc1ccccc1CO[C@H]1CCC[NH2+]C1 ZINC001217859718 971451578 /nfs/dbraw/zinc/45/15/78/971451578.db2.gz GJAUHGGCWWBBDE-ZDUSSCGKSA-N 2 0 220.316 1.414 20 0 BDADRP C[N@@H+]1CCCC[C@H]1CO[C@@H]1CCC[NH2+]C1 ZINC001217859180 971451989 /nfs/dbraw/zinc/45/19/89/971451989.db2.gz FAEKVJQPGMFLMT-NWDGAFQWSA-N 2 0 212.337 1.239 20 0 BDADRP C(OC1CC[NH+](C2CC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC001217858551 971452468 /nfs/dbraw/zinc/45/24/68/971452468.db2.gz SRZFRJNQYYHWAK-GFCCVEGCSA-N 2 0 238.375 1.629 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]1OC[C@H]1CCC[NH2+]C1 ZINC001217877697 971472354 /nfs/dbraw/zinc/47/23/54/971472354.db2.gz BKUWWGAMLODDNV-RYUDHWBXSA-N 2 0 226.364 1.391 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]1OCC[C@@H]1CCC[NH2+]C1 ZINC001217879379 971476284 /nfs/dbraw/zinc/47/62/84/971476284.db2.gz RWRGEQWQWKYDDN-QWHCGFSZSA-N 2 0 240.391 1.781 20 0 BDADRP CC[N@@H+]1CCC[C@H](OC[C@@H]2CCC[NH2+]C2)C1 ZINC001217889981 971487001 /nfs/dbraw/zinc/48/70/01/971487001.db2.gz JWQDXZPDGDKUQE-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP CC1(CO[C@H]2[C@@H]3CC[C@H]2[NH2+]C3)CC[NH2+]CC1 ZINC001217924376 971529567 /nfs/dbraw/zinc/52/95/67/971529567.db2.gz HGWOIYWYDHNYQI-UTUOFQBUSA-N 2 0 224.348 1.143 20 0 BDADRP [NH3+]Cc1cccc(CO[C@@H]2[C@@H]3CC[C@H]2[NH2+]C3)c1 ZINC001217925761 971530816 /nfs/dbraw/zinc/53/08/16/971530816.db2.gz VSQCQSUIWVPGJF-MGPQQGTHSA-N 2 0 232.327 1.412 20 0 BDADRP CC1(C)C[C@H](OCC2(C)CC[NH2+]CC2)CC[NH2+]1 ZINC001217937837 971538811 /nfs/dbraw/zinc/53/88/11/971538811.db2.gz NHVZLXYXHFZUOH-GFCCVEGCSA-N 2 0 240.391 1.923 20 0 BDADRP [NH3+]Cc1cccc(O[C@@H]2CCC[NH2+]C[C@H]2F)c1 ZINC001217948008 971541979 /nfs/dbraw/zinc/54/19/79/971541979.db2.gz LIHJXXCPOBPUMW-CHWSQXEVSA-N 2 0 238.306 1.614 20 0 BDADRP Cc1nccc(C[NH2+]C2CCC([NH+](C)C)CC2)n1 ZINC000353457513 971544961 /nfs/dbraw/zinc/54/49/61/971544961.db2.gz ZMPMJUKTDVZMKI-UHFFFAOYSA-N 2 0 248.374 1.747 20 0 BDADRP C[NH2+][C@H]1C[C@H](Oc2ccc([C@H](C)[NH3+])cc2)C1 ZINC001217956636 971545671 /nfs/dbraw/zinc/54/56/71/971545671.db2.gz VFYASNQOFIVWCO-GAFUQQFSSA-N 2 0 220.316 1.836 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H]1Oc1cccc2c1CC[NH2+]C2 ZINC001217964573 971547975 /nfs/dbraw/zinc/54/79/75/971547975.db2.gz DRBIGPYYBWULPQ-YGRLFVJLSA-N 2 0 232.327 1.319 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H]1Oc1ccc2c(c1)CC[NH2+]C2 ZINC001217965935 971552957 /nfs/dbraw/zinc/55/29/57/971552957.db2.gz UPYIGMBMCSTITO-YGRLFVJLSA-N 2 0 232.327 1.319 20 0 BDADRP [NH3+]Cc1ccc(O[C@@H]2CCCC[NH2+]C2)cc1 ZINC001217977550 971557078 /nfs/dbraw/zinc/55/70/78/971557078.db2.gz VLJGQYRADNYBDS-CYBMUJFWSA-N 2 0 220.316 1.666 20 0 BDADRP c1cc2c(c(O[C@H]3CCC[NH2+]CC3)c1)C[NH2+]C2 ZINC001217996924 971566271 /nfs/dbraw/zinc/56/62/71/971566271.db2.gz NDHWNHXNYXZRDB-LBPRGKRZSA-N 2 0 232.327 1.811 20 0 BDADRP CC[C@H](C(=O)NCC[NH2+]C(C)C)[NH+](CC)CC ZINC001133691015 971593039 /nfs/dbraw/zinc/59/30/39/971593039.db2.gz ZPPZPNDHLPBWQG-GFCCVEGCSA-N 2 0 243.395 1.221 20 0 BDADRP [NH3+]Cc1cccc(O[C@H]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC001218136537 971605126 /nfs/dbraw/zinc/60/51/26/971605126.db2.gz VIHJUYGGQBADAQ-DABQJJPHSA-N 2 0 232.327 1.522 20 0 BDADRP CC[C@@H](C)C[NH2+]CCNC(=O)[C@H](CC)[NH+](C)C ZINC001133962426 971629005 /nfs/dbraw/zinc/62/90/05/971629005.db2.gz IYEYQJWSIWRJFZ-NEPJUHHUSA-N 2 0 243.395 1.079 20 0 BDADRP [NH3+][C@@H]1CCN(Cc2ccc[nH]2)CC[C@H]1F ZINC001206155592 974328139 /nfs/dbraw/zinc/32/81/39/974328139.db2.gz MODYWXHOCALZML-GHMZBOCLSA-N 2 0 211.284 1.276 20 0 BDADRP CN(c1cc(-n2ccnc2)cc[nH+]1)C(C)(C)C[NH3+] ZINC001159058743 971663316 /nfs/dbraw/zinc/66/33/16/971663316.db2.gz BOQWSFJIRWRKNV-UHFFFAOYSA-N 2 0 245.330 1.441 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](n1cc(C[NH3+])cn1)C2 ZINC001172108035 974366591 /nfs/dbraw/zinc/36/65/91/974366591.db2.gz OCKWYZSEMUBHIK-CLLJXQQHSA-N 2 0 234.347 1.530 20 0 BDADRP COC(C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)OC ZINC001172106245 974367747 /nfs/dbraw/zinc/36/77/47/974367747.db2.gz OBONQEUZCLWXCO-CNDDSTCGSA-N 2 0 242.363 1.210 20 0 BDADRP Cc1c(O[C@H]2C[NH2+][C@H]2C)ccc2c1CC[NH2+]C2 ZINC001218382321 971761462 /nfs/dbraw/zinc/76/14/62/971761462.db2.gz AUQVIGZALOLWJI-HZMBPMFUSA-N 2 0 232.327 1.380 20 0 BDADRP c1cc2c(c(O[C@H]3C[NH2+]CCC34CC4)c1)C[NH2+]C2 ZINC001218404931 971779823 /nfs/dbraw/zinc/77/98/23/971779823.db2.gz PQZZOHKXLUEJPA-AWEZNQCLSA-N 2 0 244.338 1.811 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@H]1Oc1ccc2c(c1)C[NH2+]C2 ZINC001218416604 971787303 /nfs/dbraw/zinc/78/73/03/971787303.db2.gz UFEZTBGRNUFPTL-QMTHXVAHSA-N 2 0 232.327 1.667 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@H]1Oc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC001218415170 971789071 /nfs/dbraw/zinc/78/90/71/971789071.db2.gz AYQHDWMOWOMPRN-AQNFWKISSA-N 2 0 246.354 1.878 20 0 BDADRP CC(C)[N@H+](CCC[NH3+])[C@@H]1CCCOCC1 ZINC001170777325 971803756 /nfs/dbraw/zinc/80/37/56/971803756.db2.gz ZFMHHQOEHBXJFW-GFCCVEGCSA-N 2 0 214.353 1.615 20 0 BDADRP c1cc2c(c(O[C@@H]3CC[C@H]4C[NH2+]C[C@@H]43)c1)C[NH2+]C2 ZINC001218458804 971823799 /nfs/dbraw/zinc/82/37/99/971823799.db2.gz DJWJVEZUXOTIMI-CORIIIEPSA-N 2 0 244.338 1.667 20 0 BDADRP CC[C@@H](C)C[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222526743 972540078 /nfs/dbraw/zinc/54/00/78/972540078.db2.gz DQHMBMWOKVFREF-SNVBAGLBSA-N 2 0 202.317 1.795 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1Oc1ccc(CC[NH3+])cc1 ZINC001218481734 971829897 /nfs/dbraw/zinc/82/98/97/971829897.db2.gz VTHNFSQFNRVYQY-RISCZKNCSA-N 2 0 234.343 1.565 20 0 BDADRP CC1(C)C[C@@H]([NH+]2CCC(C[NH3+])CC2)CC[NH2+]1 ZINC001246539690 972541489 /nfs/dbraw/zinc/54/14/89/972541489.db2.gz SCWSSNXRMKMBJF-LBPRGKRZSA-N 3 0 225.380 1.188 20 0 BDADRP C[NH+](C)CCC[N@H+](C)[C@@H]1CCCOCC1 ZINC001170804420 971854714 /nfs/dbraw/zinc/85/47/14/971854714.db2.gz NWRFZYGICUHFLV-GFCCVEGCSA-N 2 0 214.353 1.439 20 0 BDADRP [NH3+]CC1(F)CC[NH+](CC2CCSCC2)CC1 ZINC001222527510 972543955 /nfs/dbraw/zinc/54/39/55/972543955.db2.gz MZSMPLKCJXRYFW-UHFFFAOYSA-N 2 0 246.395 1.892 20 0 BDADRP CC1(C)CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000309983783 971908509 /nfs/dbraw/zinc/90/85/09/971908509.db2.gz QOFVPTRXEPBLSC-ZDUSSCGKSA-N 2 0 240.391 1.565 20 0 BDADRP CCc1cccc(CC)c1NC(=O)[C@@H](N)CC[NH3+] ZINC001218948394 971967989 /nfs/dbraw/zinc/96/79/89/971967989.db2.gz GFRBAPMSVZYQST-LBPRGKRZSA-N 2 0 249.358 1.426 20 0 BDADRP CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[NH+](CC)CC ZINC001135706385 971967019 /nfs/dbraw/zinc/96/70/19/971967019.db2.gz UBHJXEUASMHGRI-RYUDHWBXSA-N 2 0 243.395 1.221 20 0 BDADRP C[C@@H]([NH3+])C(=O)Nc1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC001218997437 971972015 /nfs/dbraw/zinc/97/20/15/971972015.db2.gz UNQGAJXUJITZQA-MWLCHTKSSA-N 2 0 233.315 1.049 20 0 BDADRP CC[C@]([NH3+])(CO)Nc1ccccc1C(C)(C)[NH3+] ZINC001170866661 972002280 /nfs/dbraw/zinc/00/22/80/972002280.db2.gz VVJXBKYQMGTQAI-CYBMUJFWSA-N 2 0 237.347 1.350 20 0 BDADRP CC[C@@H](C)OCC[C@@H](C)[NH2+]C1CC([NH3+])C1 ZINC001172346386 974613916 /nfs/dbraw/zinc/61/39/16/974613916.db2.gz ZLNPAKANVIFXSE-QYNFOATHSA-N 2 0 214.353 1.659 20 0 BDADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC ZINC001135979612 972016542 /nfs/dbraw/zinc/01/65/42/972016542.db2.gz HRGVDTKRNSJWLI-RYUDHWBXSA-N 2 0 243.395 1.221 20 0 BDADRP C[C@@H]([NH3+])CCNc1cc(N)c(C(F)(F)F)c[nH+]1 ZINC001170889306 972036506 /nfs/dbraw/zinc/03/65/06/972036506.db2.gz MXBAMUIGFJVUOG-ZCFIWIBFSA-N 2 0 248.252 1.832 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc(C2CCC2)nn1 ZINC001170895885 972049948 /nfs/dbraw/zinc/04/99/48/972049948.db2.gz ADKGKVOZFIJEAC-NSHDSACASA-N 2 0 235.335 1.180 20 0 BDADRP Cc1c(F)c(F)cc(N[C@H]([NH3+])CCC[NH3+])c1F ZINC001170899446 972059108 /nfs/dbraw/zinc/05/91/08/972059108.db2.gz CDKMZAOLFSUTEL-VIFPVBQESA-N 2 0 247.264 1.848 20 0 BDADRP CC(C)Oc1ccc(N[C@H]([NH3+])CCC[NH3+])cn1 ZINC001170899727 972061505 /nfs/dbraw/zinc/06/15/05/972061505.db2.gz LXGGEUJASKHHCH-NSHDSACASA-N 2 0 238.335 1.304 20 0 BDADRP COc1ccc(N[C@H]([NH3+])CCC[NH3+])c(C)c1 ZINC001170899744 972062590 /nfs/dbraw/zinc/06/25/90/972062590.db2.gz MCKWINKTOMGRKV-LBPRGKRZSA-N 2 0 223.320 1.439 20 0 BDADRP C=Cc1cccc(N[C@H]([NH3+])CCC[NH3+])c1 ZINC001170900383 972064908 /nfs/dbraw/zinc/06/49/08/972064908.db2.gz SZFUMXURXXAULX-LBPRGKRZSA-N 2 0 205.305 1.765 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1cnc2ccoc2c1 ZINC001170900035 972065515 /nfs/dbraw/zinc/06/55/15/972065515.db2.gz OJMVEERQPBTJJK-LLVKDONJSA-N 2 0 220.276 1.263 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc2ccncc2n1 ZINC001170900631 972067860 /nfs/dbraw/zinc/06/78/60/972067860.db2.gz MUPCPQITEZTKOJ-LLVKDONJSA-N 2 0 231.303 1.065 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc2ccoc2c1 ZINC001170900970 972069415 /nfs/dbraw/zinc/06/94/15/972069415.db2.gz SGOHGAZZDCRCHC-LBPRGKRZSA-N 2 0 219.288 1.868 20 0 BDADRP CC(C)(C)c1ccnc(N[C@@H]([NH3+])CCC[NH3+])c1 ZINC001170902876 972071839 /nfs/dbraw/zinc/07/18/39/972071839.db2.gz GSFFJOBVJIGBTA-LLVKDONJSA-N 2 0 236.363 1.815 20 0 BDADRP CC[NH+]1CCC([NH2+]CCc2cn(C)cn2)CC1 ZINC000313278520 972074203 /nfs/dbraw/zinc/07/42/03/972074203.db2.gz BSFDRFRXYQJXDY-UHFFFAOYSA-N 2 0 236.363 1.037 20 0 BDADRP CNc1cccc(N[C@@H]([NH3+])CCC[NH3+])c1C ZINC001170907149 972080617 /nfs/dbraw/zinc/08/06/17/972080617.db2.gz ZYTIADUAHGFFHB-GFCCVEGCSA-N 2 0 222.336 1.472 20 0 BDADRP CC(C)(C)c1ccc(N[C@H]([NH3+])CCC[NH3+])cn1 ZINC001170904259 972077879 /nfs/dbraw/zinc/07/78/79/972077879.db2.gz MQUJFHCXFIBPBE-LBPRGKRZSA-N 2 0 236.363 1.815 20 0 BDADRP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@H](C)O ZINC000390428590 972085953 /nfs/dbraw/zinc/08/59/53/972085953.db2.gz NUQHTLUMMCQXDW-MNOVXSKESA-N 2 0 226.364 1.220 20 0 BDADRP C[NH2+]Cc1cc(-c2ccc3c[nH+]cn3c2)ncn1 ZINC001245893530 972092317 /nfs/dbraw/zinc/09/23/17/972092317.db2.gz ACHPGFKLDIGIQH-UHFFFAOYSA-N 2 0 239.282 1.511 20 0 BDADRP Cc1ccc2ncnc(N[C@H]([NH3+])CCC[NH3+])c2c1 ZINC001159784940 972111956 /nfs/dbraw/zinc/11/19/56/972111956.db2.gz MTFIGUZTWLAFLH-LBPRGKRZSA-N 2 0 245.330 1.374 20 0 BDADRP COc1cc(Cl)ncc1N[C@@H]([NH3+])CCC[NH3+] ZINC001159786041 972112236 /nfs/dbraw/zinc/11/22/36/972112236.db2.gz VONFLTDFNLFVQP-SNVBAGLBSA-N 2 0 244.726 1.179 20 0 BDADRP Cc1cc2ccncc2nc1N[C@@H]([NH3+])CCC[NH3+] ZINC001159788800 972114808 /nfs/dbraw/zinc/11/48/08/972114808.db2.gz MDGUOILGTYYUED-GFCCVEGCSA-N 2 0 245.330 1.374 20 0 BDADRP CC[C@@H](O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001246019516 972118719 /nfs/dbraw/zinc/11/87/19/972118719.db2.gz IPNVNMHRLXJTBK-IJLUTSLNSA-N 2 0 214.353 1.064 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H](O)C(C)(C)C)CCC[C@@H]1C[NH3+] ZINC001246031399 972122490 /nfs/dbraw/zinc/12/24/90/972122490.db2.gz PREKOQDQHTZHEJ-JHJVBQTASA-N 2 0 242.407 1.700 20 0 BDADRP C[C@@]1(CN[C@H]2CCCC[NH2+]C2)CCCC[NH2+]C1 ZINC001246089863 972142695 /nfs/dbraw/zinc/14/26/95/972142695.db2.gz GZWVJPSZRSHOJO-UONOGXRCSA-N 2 0 239.407 1.498 20 0 BDADRP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[NH2+]C2)CCO1 ZINC001246090639 972143697 /nfs/dbraw/zinc/14/36/97/972143697.db2.gz LHVCTVROANZZRO-SDDRHHMPSA-N 2 0 212.337 1.286 20 0 BDADRP CC1(C)C[C@H](N[C@@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC001246091284 972145441 /nfs/dbraw/zinc/14/54/41/972145441.db2.gz OHJREKRRKPXXKC-VXGBXAGGSA-N 2 0 225.380 1.249 20 0 BDADRP CC[C@@H]1C[C@H](N[C@@H]2CC[NH2+][C@@H]2C)C[C@H](CC)[NH2+]1 ZINC001246100374 972154285 /nfs/dbraw/zinc/15/42/85/972154285.db2.gz CRBYPSXFKIEFFS-PEBLQZBPSA-N 2 0 239.407 1.636 20 0 BDADRP CC[C@@H]1C[C@@H](N[C@@H]2CC[NH2+][C@@H]2C)C[C@H](CC)[NH2+]1 ZINC001246100376 972155761 /nfs/dbraw/zinc/15/57/61/972155761.db2.gz CRBYPSXFKIEFFS-RKQHYHRCSA-N 2 0 239.407 1.636 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N[C@@H]1C[NH2+]CC[C@H]1C ZINC001246103720 972163002 /nfs/dbraw/zinc/16/30/02/972163002.db2.gz YVZUSKIJXSOGLB-MGPQQGTHSA-N 2 0 241.423 1.694 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[NH2+]CC[C@@H]2C)CC[NH2+]1 ZINC001246104790 972167710 /nfs/dbraw/zinc/16/77/10/972167710.db2.gz BZFSFQOOFQQCER-REWJHTLYSA-N 3 0 239.407 1.352 20 0 BDADRP CC[C@@H]1C[C@H](NC[C@@H]2C[NH2+]CC[C@H]2C)CC[NH2+]1 ZINC001246111619 972177159 /nfs/dbraw/zinc/17/71/59/972177159.db2.gz KSYQXIARTAISSM-XJFOESAGSA-N 2 0 239.407 1.352 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC001246113520 972177593 /nfs/dbraw/zinc/17/75/93/972177593.db2.gz RCQFPKMFDUOGQV-JHJVBQTASA-N 2 0 240.391 1.779 20 0 BDADRP CCCC[C@H]1C[C@H](NC2CC([NH3+])C2)CC[NH2+]1 ZINC001246116849 972178695 /nfs/dbraw/zinc/17/86/95/972178695.db2.gz XWMUKNBFWORLFU-CMOBGSAGSA-N 2 0 225.380 1.377 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1C[NH2+]C1CCOCC1 ZINC001246108597 972173415 /nfs/dbraw/zinc/17/34/15/972173415.db2.gz CMTNLGUSENBXIN-MNOVXSKESA-N 2 0 212.337 1.001 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1C[NH2+]C1Cc2ccccc2C1 ZINC001246109829 972174315 /nfs/dbraw/zinc/17/43/15/972174315.db2.gz HGAYLMCMFIDJAN-DOMZBBRYSA-N 2 0 244.382 1.989 20 0 BDADRP C[C@@H]1CC[C@H](CN[C@H]2CCC[N@H+](C)C2)[NH2+]C1 ZINC001246111287 972175049 /nfs/dbraw/zinc/17/50/49/972175049.db2.gz JATSZAKHKONSFN-UPJWGTAASA-N 2 0 225.380 1.058 20 0 BDADRP C1CC12C[NH2+]C[C@@H]2N[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246132837 972192049 /nfs/dbraw/zinc/19/20/49/972192049.db2.gz MLXAVFPRPIFULZ-RNJOBUHISA-N 2 0 235.375 1.001 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+][C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)C[C@@H]1C ZINC001246140152 972192825 /nfs/dbraw/zinc/19/28/25/972192825.db2.gz ZFZFCYXPTUHIIO-GSZZWUTPSA-N 2 0 238.375 1.388 20 0 BDADRP CCCCC[C@H](CC)[NH2+][C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001246139703 972193808 /nfs/dbraw/zinc/19/38/08/972193808.db2.gz VTBJIPGYTQQLDZ-REWJHTLYSA-N 2 0 240.391 1.922 20 0 BDADRP [NH3+][C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246150806 972196755 /nfs/dbraw/zinc/19/67/55/972196755.db2.gz CQQPZIDSYMHGNY-TVQPFBMJSA-N 3 0 223.364 1.129 20 0 BDADRP Cc1cnc(CC[NH3+])n1[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246175944 972205485 /nfs/dbraw/zinc/20/54/85/972205485.db2.gz JNYRJYQYJIGSHG-KOLCDFICSA-N 2 0 222.336 1.006 20 0 BDADRP CN(C)c1cc[nH+]c(NCC(C)(C)[NH3+])c1 ZINC001160032551 972208829 /nfs/dbraw/zinc/20/88/29/972208829.db2.gz WGMYJQCMJWYIEW-UHFFFAOYSA-N 2 0 208.309 1.297 20 0 BDADRP C([NH2+][C@H]1CCC2(C1)CC[NH2+]CC2)[C@H]1CCC[NH2+]1 ZINC001246187604 972213080 /nfs/dbraw/zinc/21/30/80/972213080.db2.gz RDZWDXJNSUMNPH-QWHCGFSZSA-N 3 0 237.391 1.250 20 0 BDADRP CC(C)[C@H]1C[C@@H](NC[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC001246194510 972213287 /nfs/dbraw/zinc/21/32/87/972213287.db2.gz MZJHRPDVJAFKDA-RWMBFGLXSA-N 2 0 225.380 1.105 20 0 BDADRP CC(C)[NH+]1CC(Nc2ncnc3[nH]ccc32)C1 ZINC000705192265 956899514 /nfs/dbraw/zinc/89/95/14/956899514.db2.gz ADFYQOVFTONOTD-UHFFFAOYSA-N 2 0 231.303 1.462 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](C[NH3+])CC2)CN1 ZINC001246231976 972237043 /nfs/dbraw/zinc/23/70/43/972237043.db2.gz YNEXSQLLVGUJCN-NDBYEHHHSA-N 2 0 225.380 1.234 20 0 BDADRP CC1(C)CCC(NC(=O)C[NH2+]CCC[NH3+])CC1 ZINC001220590840 972244703 /nfs/dbraw/zinc/24/47/03/972244703.db2.gz SAOISJMCRMEWNK-UHFFFAOYSA-N 2 0 241.379 1.010 20 0 BDADRP C[C@H](C[NH3+])C[N@H+](C)[C@H]1COC(C)(C)C1 ZINC000396634014 957093618 /nfs/dbraw/zinc/09/36/18/957093618.db2.gz HCDDZNXYCUXHCB-NXEZZACHSA-N 2 0 200.326 1.081 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C1CCCC1 ZINC001246242484 972246259 /nfs/dbraw/zinc/24/62/59/972246259.db2.gz IYDRMROWASUTGX-DGCLKSJQSA-N 2 0 237.391 1.249 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCCc2cccnc2)CC[NH2+]1 ZINC001246241595 972247257 /nfs/dbraw/zinc/24/72/57/972247257.db2.gz YPECKYMHGRHDCV-GXTWGEPZSA-N 2 0 233.359 1.744 20 0 BDADRP C[C@H]1C[C@@H](NCC2([NH3+])CCCCC2)CC[NH2+]1 ZINC001246277664 972253173 /nfs/dbraw/zinc/25/31/73/972253173.db2.gz ABUGCWITFCLINC-RYUDHWBXSA-N 2 0 225.380 1.378 20 0 BDADRP CCC[C@H]([NH3+])C(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220775008 972258558 /nfs/dbraw/zinc/25/85/58/972258558.db2.gz DRTSZJNXVSGRKF-UHTWSYAYSA-N 2 0 239.363 1.034 20 0 BDADRP C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)Cc2ccccc2)C1 ZINC001346190636 957427006 /nfs/dbraw/zinc/42/70/06/957427006.db2.gz INKPCHFOBBROGW-HUUCEWRRSA-N 2 0 248.370 1.131 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001209426999 957446567 /nfs/dbraw/zinc/44/65/67/957446567.db2.gz HAIBRSPHLRUTQB-VXGBXAGGSA-N 2 0 208.349 1.670 20 0 BDADRP CC[N@H+](CCNC(=O)CC[NH+](C)C)CC(C)C ZINC001266413464 957495464 /nfs/dbraw/zinc/49/54/64/957495464.db2.gz NXRHIEUVNJTVTH-UHFFFAOYSA-N 2 0 243.395 1.032 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@H]1Cc2cccc(F)c2C1 ZINC001246307307 972271574 /nfs/dbraw/zinc/27/15/74/972271574.db2.gz WIUFENGXCXXDNH-ONGXEEELSA-N 2 0 222.307 1.620 20 0 BDADRP CC[NH2+]CCN1CC[NH2+]C[C@H]1c1ccccc1 ZINC001210196924 957663913 /nfs/dbraw/zinc/66/39/13/957663913.db2.gz RQXUFWRYMHHOOS-AWEZNQCLSA-N 2 0 233.359 1.242 20 0 BDADRP CC[C@@H]1C[C@@H](N[C@H]2C[NH2+]CC[C@@H]2C)CC[NH2+]1 ZINC001246333635 972295210 /nfs/dbraw/zinc/29/52/10/972295210.db2.gz WCMZDTFIHVIQDO-RNJOBUHISA-N 2 0 225.380 1.105 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246332453 972296308 /nfs/dbraw/zinc/29/63/08/972296308.db2.gz MEURBARZADFRCS-YNEHKIRRSA-N 2 0 241.423 1.726 20 0 BDADRP CCCC(C[NH3+])(CCC)NC(=O)CC[NH2+]C ZINC001221373294 972331133 /nfs/dbraw/zinc/33/11/33/972331133.db2.gz HAODKLPMUZTBEC-UHFFFAOYSA-N 2 0 229.368 1.010 20 0 BDADRP C[C@H]1C[C@@H](NC[C@]2(CC3CC3)CCC[NH2+]2)C[NH2+]1 ZINC001246463473 972336758 /nfs/dbraw/zinc/33/67/58/972336758.db2.gz VTQHNRGNEXDCAB-IACUBPJLSA-N 2 0 237.391 1.249 20 0 BDADRP C1[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@]12CCCOC2 ZINC001246466513 972339042 /nfs/dbraw/zinc/33/90/42/972339042.db2.gz QSJAYYBKOIMLOX-YJBUHQLJSA-N 2 0 236.359 1.428 20 0 BDADRP C1[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@]12CCCOC2 ZINC001246466489 972339713 /nfs/dbraw/zinc/33/97/13/972339713.db2.gz QSJAYYBKOIMLOX-QZQCMHJZSA-N 2 0 236.359 1.428 20 0 BDADRP CC[C@@]1(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]C1 ZINC001246467611 972344128 /nfs/dbraw/zinc/34/41/28/972344128.db2.gz ZFTSABPWZFJHFS-ZGVCCVRISA-N 2 0 223.364 1.001 20 0 BDADRP C[C@H]1CC[C@@H]([NH2+]CCC2CC[NH+](C)CC2)CN1 ZINC000399005455 958483247 /nfs/dbraw/zinc/48/32/47/958483247.db2.gz XMDMTBXMPKCQHN-GXTWGEPZSA-N 2 0 239.407 1.448 20 0 BDADRP CC1CC[NH+](CCN[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000399004415 958483953 /nfs/dbraw/zinc/48/39/53/958483953.db2.gz WCPNRRKYOVUOTC-KGLIPLIRSA-N 2 0 239.407 1.448 20 0 BDADRP CC(C)C[NH+]1CCC([NH2+][C@H]2C[C@@H](CO)C2)CC1 ZINC000707618265 958625350 /nfs/dbraw/zinc/62/53/50/958625350.db2.gz MTMVHPDPHJXCCQ-XBXGTLAGSA-N 2 0 240.391 1.467 20 0 BDADRP CC(C)(C)[C@H]1C[C@H](N2CC[NH2+]CC2)CC[NH2+]1 ZINC001246522531 972377926 /nfs/dbraw/zinc/37/79/26/972377926.db2.gz AAVFLGSRITZHPE-VXGBXAGGSA-N 2 0 225.380 1.058 20 0 BDADRP C[NH+](C)CC(C)(C)C[N@@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001207282948 958873797 /nfs/dbraw/zinc/87/37/97/958873797.db2.gz RDWHOPKHJKWYII-CNDDSTCGSA-N 2 0 228.355 1.722 20 0 BDADRP [NH3+]CCc1ccccc1-n1cccc1C[NH3+] ZINC001167592664 958985880 /nfs/dbraw/zinc/98/58/80/958985880.db2.gz AHIGJUMXAXDYLR-UHFFFAOYSA-N 2 0 215.300 1.437 20 0 BDADRP C([C@@H]1CCCC[NH2+]1)N1CCC[C@@]12CCC[NH2+]C2 ZINC001222230876 972415021 /nfs/dbraw/zinc/41/50/21/972415021.db2.gz FWYCCRGYHLPSMK-UONOGXRCSA-N 2 0 237.391 1.347 20 0 BDADRP C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222237452 972415299 /nfs/dbraw/zinc/41/52/99/972415299.db2.gz KGUGHEALFLOMLP-JHJVBQTASA-N 2 0 208.349 1.860 20 0 BDADRP CC[C@@H]1COC[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000829420544 959288974 /nfs/dbraw/zinc/28/89/74/959288974.db2.gz NELPTFSUZIZFQK-NEPJUHHUSA-N 2 0 214.353 1.343 20 0 BDADRP Cc1nc(CN2CCC[C@]23CCC[NH2+]C3)c[nH]1 ZINC001222249524 972418712 /nfs/dbraw/zinc/41/87/12/972418712.db2.gz TVVHLHMMOOAKMJ-ZDUSSCGKSA-N 2 0 234.347 1.436 20 0 BDADRP Cc1n[nH]cc1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000724777581 959445638 /nfs/dbraw/zinc/44/56/38/959445638.db2.gz AQKKOMUZFKANOB-YPMHNXCESA-N 2 0 234.347 1.102 20 0 BDADRP C[C@@H]1OC[C@H]([NH2+]CCCC[NH+](C)C)[C@@H]1C ZINC000405566577 959459675 /nfs/dbraw/zinc/45/96/75/959459675.db2.gz FJBXFCBRXDYLKS-WOPDTQHZSA-N 2 0 214.353 1.341 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000693880243 959461078 /nfs/dbraw/zinc/46/10/78/959461078.db2.gz WABPEDCATMTWRP-YNEHKIRRSA-N 2 0 239.407 1.589 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222347099 972440639 /nfs/dbraw/zinc/44/06/39/972440639.db2.gz WBKRVZPRYIPPCV-CQSZACIVSA-N 3 0 237.391 1.204 20 0 BDADRP C[C@@H]1C[NH2+]CCC[C@@H]1OCC[C@@H]1CCC[NH2+]C1 ZINC001217776079 959585640 /nfs/dbraw/zinc/58/56/40/959585640.db2.gz FHXXAHJJRKQGML-RDBSUJKOSA-N 2 0 240.391 1.781 20 0 BDADRP C(CO[C@@H]1CCC[NH2+]CC1)C[C@@H]1CCC[NH2+]C1 ZINC001217777400 959590182 /nfs/dbraw/zinc/59/01/82/959590182.db2.gz JRVLSTHIRWWVNN-UONOGXRCSA-N 2 0 240.391 1.925 20 0 BDADRP Nc1cccc(CN2CCC[C@]3(CCC[NH2+]3)C2)c1 ZINC001222355247 972441667 /nfs/dbraw/zinc/44/16/67/972441667.db2.gz QRWUDHFTCZALTL-OAHLLOKOSA-N 2 0 245.370 1.987 20 0 BDADRP C(O[C@@H]1CCC[C@]12CC[NH2+]C2)[C@@H]1CCC[NH2+]1 ZINC001217799496 959610997 /nfs/dbraw/zinc/61/09/97/959610997.db2.gz DZNIFFNJTMEWGZ-YNEHKIRRSA-N 2 0 224.348 1.287 20 0 BDADRP Cc1c(C[N@@H+]2CCC[C@@H]([NH3+])CC2)cnn1C ZINC000708591037 959643764 /nfs/dbraw/zinc/64/37/64/959643764.db2.gz NWPCRKRRTLFYAB-GFCCVEGCSA-N 2 0 222.336 1.042 20 0 BDADRP C[C@@H]1[NH2+]C[C@@H]1OCc1ccc2c(c1)CC[NH2+]C2 ZINC001217905827 959735242 /nfs/dbraw/zinc/73/52/42/959735242.db2.gz CDDCQGQOUQFEGM-HZMBPMFUSA-N 2 0 232.327 1.209 20 0 BDADRP C[C@@H]1CC([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)C[C@@H](C)O1 ZINC000694759498 959983617 /nfs/dbraw/zinc/98/36/17/959983617.db2.gz ARIBYKWAEDMJFR-FPQZTECRSA-N 2 0 238.375 1.802 20 0 BDADRP C[C@H]1C[N@H+](CCCC(F)(F)F)C[C@H]1C[NH3+] ZINC000708861277 959985861 /nfs/dbraw/zinc/98/58/61/959985861.db2.gz GRFFOJIRNBRYAO-DTWKUNHWSA-N 2 0 224.270 1.856 20 0 BDADRP OCCCCCN1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222420531 972471380 /nfs/dbraw/zinc/47/13/80/972471380.db2.gz DRZOPPBYQXSPOO-ZDUSSCGKSA-N 2 0 226.364 1.367 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1Oc1cccc(C[NH3+])c1 ZINC001218423734 960080497 /nfs/dbraw/zinc/08/04/97/960080497.db2.gz LWULHETZLOUTQM-MFKMUULPSA-N 2 0 220.316 1.522 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@H]1Oc1cccc(C[NH3+])c1 ZINC001218423741 960083461 /nfs/dbraw/zinc/08/34/61/960083461.db2.gz LWULHETZLOUTQM-ZWNOBZJWSA-N 2 0 220.316 1.522 20 0 BDADRP N=C(Nc1cc[nH+]c(C2CC2)c1)SCC[NH3+] ZINC001167913573 960093093 /nfs/dbraw/zinc/09/30/93/960093093.db2.gz ZKUKLFLILRMUPF-UHFFFAOYSA-N 2 0 236.344 1.998 20 0 BDADRP C[NH2+]CCNc1cccc(C2=[NH+]CCC2)c1 ZINC001167726126 960247059 /nfs/dbraw/zinc/24/70/59/960247059.db2.gz RTQSDPKDROLLSD-UHFFFAOYSA-N 2 0 217.316 1.901 20 0 BDADRP CO[C@@H]1C[N@H+](CCC2CC[NH+](C)CC2)C[C@@H]1F ZINC001207478998 960346199 /nfs/dbraw/zinc/34/61/99/960346199.db2.gz AGGKWAUBAILDHP-QWHCGFSZSA-N 2 0 244.354 1.387 20 0 BDADRP C[C@@H](C[C@@H]1CCOC1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000689794485 960368380 /nfs/dbraw/zinc/36/83/80/960368380.db2.gz OICNBKSSDJRGNQ-JSGCOSHPSA-N 2 0 238.375 1.653 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222237998 960501583 /nfs/dbraw/zinc/50/15/83/960501583.db2.gz XZYZCDOVRRVCBZ-CQSZACIVSA-N 3 0 239.407 1.724 20 0 BDADRP C[C@H]1CCC[N@H+](CC2CC[NH+](C)CC2)[C@@H]1CO ZINC000709415932 960584138 /nfs/dbraw/zinc/58/41/38/960584138.db2.gz SQGWVKAHQIMUFL-GXTWGEPZSA-N 2 0 240.391 1.421 20 0 BDADRP c1csc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000709413420 960585538 /nfs/dbraw/zinc/58/55/38/960585538.db2.gz DJSUQPJKAPWIFN-ZACCUICWSA-N 2 0 237.372 1.558 20 0 BDADRP CC/C=C\CC[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222492203 972518603 /nfs/dbraw/zinc/51/86/03/972518603.db2.gz RBNWMSQZNBJCHF-NMEQGOOXSA-N 2 0 237.391 1.369 20 0 BDADRP FC1(F)CC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000709490949 960620226 /nfs/dbraw/zinc/62/02/26/960620226.db2.gz KIGJKNDMPPWXKI-ZACCUICWSA-N 2 0 230.302 1.904 20 0 BDADRP O[C@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709489812 960623323 /nfs/dbraw/zinc/62/33/23/960623323.db2.gz VWCCZKQAOTVBCE-KTCIRNNBSA-N 2 0 224.348 1.163 20 0 BDADRP CC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCOCC1 ZINC000709493900 960629503 /nfs/dbraw/zinc/62/95/03/960629503.db2.gz QUCVHQYBOTUTBR-FUNVUKJBSA-N 2 0 238.375 1.676 20 0 BDADRP CC(C)[N@@H+]1CCC[C@H](OC2CC[NH+](C)CC2)C1 ZINC001222503983 960662189 /nfs/dbraw/zinc/66/21/89/960662189.db2.gz MALACXJFCKHKSU-AWEZNQCLSA-N 2 0 240.391 1.970 20 0 BDADRP C[C@H](C[NH3+])CN[C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925701140 960691361 /nfs/dbraw/zinc/69/13/61/960691361.db2.gz ZUVVEIIMSUYBLW-NTZNESFSSA-N 2 0 221.348 1.259 20 0 BDADRP C1=C(CN[C@H]2CC[NH2+]C23CCCC3)CC[NH2+]C1 ZINC000925701143 960692152 /nfs/dbraw/zinc/69/21/52/960692152.db2.gz ZVDAECMDLYTDPY-ZDUSSCGKSA-N 2 0 235.375 1.170 20 0 BDADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925702544 960700520 /nfs/dbraw/zinc/70/05/20/960700520.db2.gz BMILKVYGDCSEKW-UPJWGTAASA-N 3 0 237.391 1.378 20 0 BDADRP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@H]2[NH2+]CC1CC=CC1 ZINC000925721771 960794721 /nfs/dbraw/zinc/79/47/21/960794721.db2.gz FTARLZQNGRMHHV-YXSUXZIUSA-N 2 0 236.359 1.295 20 0 BDADRP Cc1ccncc1C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001141047975 960837268 /nfs/dbraw/zinc/83/72/68/960837268.db2.gz CHVYAVASQZBDOT-UHFFFAOYSA-N 2 0 245.370 1.918 20 0 BDADRP C[NH+]1CCC2(CC[N@H+](Cc3cocn3)C2)CC1 ZINC001141130680 960882868 /nfs/dbraw/zinc/88/28/68/960882868.db2.gz VNNHTQJQEBUFIQ-UHFFFAOYSA-N 2 0 235.331 1.592 20 0 BDADRP [NH2+]=CNc1ccc([C@@]23CC[NH2+][C@H]2COCC3)cc1 ZINC001167864857 961332362 /nfs/dbraw/zinc/33/23/62/961332362.db2.gz KBMSEENEYDFNLY-KBPBESRZSA-N 2 0 245.326 1.726 20 0 BDADRP [NH2+]=CNc1ccc2c(c1)COC21C[NH2+]C1 ZINC001167867140 961354141 /nfs/dbraw/zinc/35/41/41/961354141.db2.gz HOQGHSIANIWHJG-UHFFFAOYSA-N 2 0 203.245 1.034 20 0 BDADRP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC001167901296 961613473 /nfs/dbraw/zinc/61/34/73/961613473.db2.gz FARMGFSSVWMJSU-ZSBIGDGJSA-N 2 0 210.365 1.962 20 0 BDADRP CC[C@@H]([NH3+])C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204727710 962080438 /nfs/dbraw/zinc/08/04/38/962080438.db2.gz LCPMPDANNFBGPZ-GFCCVEGCSA-N 3 0 225.380 1.189 20 0 BDADRP C[C@H](C[NH+](C)C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001151905029 962349570 /nfs/dbraw/zinc/34/95/70/962349570.db2.gz YYPJKTVXEZRJET-SNVBAGLBSA-N 2 0 246.314 1.014 20 0 BDADRP CCC[NH+]1CCC(C[NH2+][C@H]2COC[C@@H]2C)CC1 ZINC000924953838 962613894 /nfs/dbraw/zinc/61/38/94/962613894.db2.gz DRQKTWMZGRHAMV-JSGCOSHPSA-N 2 0 240.391 1.733 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCOCC1CC1 ZINC000925005850 962857501 /nfs/dbraw/zinc/85/75/01/962857501.db2.gz PWZDBDSNEUHLNY-PBWFPOADSA-N 2 0 238.375 1.343 20 0 BDADRP Nc1cccc(N[C@@H]2CCC[C@H]([NH3+])C2)[nH+]1 ZINC001154973851 962927155 /nfs/dbraw/zinc/92/71/55/962927155.db2.gz AJXWXNJMEAISBR-DTWKUNHWSA-N 2 0 206.293 1.346 20 0 BDADRP Cc1cc(C)[nH+]c(N[C@@H]2COCCC23C[NH2+]C3)c1 ZINC001155461381 963083882 /nfs/dbraw/zinc/08/38/82/963083882.db2.gz DALDMBNOLSPQRH-GFCCVEGCSA-N 2 0 247.342 1.489 20 0 BDADRP c1cc2c[nH+]c(N[C@H]3C[NH2+][C@@H]4CCO[C@@H]43)cc2[nH]1 ZINC001155636070 963127825 /nfs/dbraw/zinc/12/78/25/963127825.db2.gz LSBGODRUFHENJC-CDMKHQONSA-N 2 0 244.298 1.104 20 0 BDADRP CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](CC)[NH+](C)C ZINC001482331388 963140594 /nfs/dbraw/zinc/14/05/94/963140594.db2.gz QEDCCDOEHMEIQE-NEPJUHHUSA-N 2 0 243.395 1.173 20 0 BDADRP C[C@H](C[NH+](C)C)NC(=O)c1cccc2c[nH+]cn21 ZINC001155801681 963176307 /nfs/dbraw/zinc/17/63/07/963176307.db2.gz UVOLLEOETWLBBE-SNVBAGLBSA-N 2 0 246.314 1.014 20 0 BDADRP COC[C@@H]1CCC[N@@H+]1CCCCCC[NH3+] ZINC000696592695 963269469 /nfs/dbraw/zinc/26/94/69/963269469.db2.gz DZPRHQZZXLPDIC-LBPRGKRZSA-N 2 0 214.353 1.616 20 0 BDADRP CC(C)[N@H+](C)CCCNC(=[NH2+])NC1CCCC1 ZINC000066245425 963273248 /nfs/dbraw/zinc/27/32/48/963273248.db2.gz PJPRFQWMKWQMFK-UHFFFAOYSA-N 2 0 240.395 1.773 20 0 BDADRP C[NH+](C)Cc1ccnc(N[C@H]2CC[N@H+](C)C2)c1 ZINC001156581319 963393548 /nfs/dbraw/zinc/39/35/48/963393548.db2.gz KBFYEWCXZHWATH-LBPRGKRZSA-N 2 0 234.347 1.259 20 0 BDADRP Cn1ccc2c1cc[nH+]c2N[C@H]1CC[N@H+](C)C1 ZINC001156580217 963395251 /nfs/dbraw/zinc/39/52/51/963395251.db2.gz HJNGLBYNYLWBMY-JTQLQIEISA-N 2 0 230.315 1.689 20 0 BDADRP C[C@@]1([NH3+])CCN(Cc2cccc3c[nH+]cn32)C1 ZINC001204801410 963666079 /nfs/dbraw/zinc/66/60/79/963666079.db2.gz OKDDLSSEYOUIPI-CYBMUJFWSA-N 2 0 230.315 1.257 20 0 BDADRP Cc1[nH+]c(N2C[C@@H]3C[NH2+][C@@H]3C2)cc2[nH]ccc21 ZINC001157624260 963684789 /nfs/dbraw/zinc/68/47/89/963684789.db2.gz WBZGXGHOOQJURH-JOYOIKCWSA-N 2 0 228.299 1.279 20 0 BDADRP CCO[C@H]1CCC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000697084294 963709718 /nfs/dbraw/zinc/70/97/18/963709718.db2.gz KLMSTXOEELMORI-KBPBESRZSA-N 2 0 240.391 1.877 20 0 BDADRP CCC1(Nc2cc(N)c(C)c[nH+]2)C[NH2+]C1 ZINC001157784918 963725250 /nfs/dbraw/zinc/72/52/50/963725250.db2.gz PQSRFMORWAKFTK-UHFFFAOYSA-N 2 0 206.293 1.136 20 0 BDADRP CN(C)c1cccc(N2CC[C@@](F)(C[NH3+])C2)[nH+]1 ZINC001157809994 963733938 /nfs/dbraw/zinc/73/39/38/963733938.db2.gz VMNWATWKVKBFEQ-GFCCVEGCSA-N 2 0 238.310 1.025 20 0 BDADRP Cc1c[nH+]c(N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1N ZINC001158176486 963819932 /nfs/dbraw/zinc/81/99/32/963819932.db2.gz GCBGNFKHURXUFZ-AOOOYVTPSA-N 2 0 220.320 1.159 20 0 BDADRP CC1(Nc2ccc3c(n2)C[NH2+]CC3)CC[NH2+]CC1 ZINC001168183592 963939738 /nfs/dbraw/zinc/93/97/38/963939738.db2.gz HPLWZQIZDNVTME-UHFFFAOYSA-N 2 0 246.358 1.281 20 0 BDADRP Cc1cc(N[C@H]2C[NH2+]CC[C@H]2F)cc(C)[nH+]1 ZINC001168226269 964006873 /nfs/dbraw/zinc/00/68/73/964006873.db2.gz APKLGDBDEXVATC-NEPJUHHUSA-N 2 0 223.295 1.232 20 0 BDADRP [NH3+][C@@H]1CCc2c1cccc2N[C@H]1C[NH2+]CC[C@H]1F ZINC001168230501 964017364 /nfs/dbraw/zinc/01/73/64/964017364.db2.gz BRGFNGLSJOLCOE-BZPMIXESSA-N 2 0 249.333 1.745 20 0 BDADRP COc1ccc2c(c1)C[C@@H]([NH2+]C1CC([NH3+])C1)C2 ZINC001168241233 964043335 /nfs/dbraw/zinc/04/33/35/964043335.db2.gz HABCEEZMBQFGSU-CPCZMJQVSA-N 2 0 232.327 1.242 20 0 BDADRP [NH3+]Cc1cnn(-c2ccc(C3([NH3+])CCC3)cc2)c1 ZINC001168262571 964093221 /nfs/dbraw/zinc/09/32/21/964093221.db2.gz VAZQGAXXPLENSM-UHFFFAOYSA-N 2 0 242.326 1.669 20 0 BDADRP C1=C(Nc2ccc3c(c2)CC[NH2+]C3)C[NH2+]C1 ZINC001159600014 964130312 /nfs/dbraw/zinc/13/03/12/964130312.db2.gz CHHCEKAAGFZKFJ-UHFFFAOYSA-N 2 0 215.300 1.231 20 0 BDADRP [NH3+]CCc1cccc(NC2=CCC[NH2+]C2)c1 ZINC001159672436 964144917 /nfs/dbraw/zinc/14/49/17/964144917.db2.gz UVRPSDDUKXDDQC-UHFFFAOYSA-N 2 0 217.316 1.477 20 0 BDADRP c1cc2c(c(NC3=CCC[NH2+]C3)c1)C[NH2+]C2 ZINC001159766537 964187427 /nfs/dbraw/zinc/18/74/27/964187427.db2.gz AOGJMHQRXYIVBE-UHFFFAOYSA-N 2 0 215.300 1.579 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1cccc(Cl)n1 ZINC001159780222 964193806 /nfs/dbraw/zinc/19/38/06/964193806.db2.gz UQJGHGRFAIROGS-QMMMGPOBSA-N 2 0 214.700 1.171 20 0 BDADRP CC(C)c1nccc(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001159784908 964197310 /nfs/dbraw/zinc/19/73/10/964197310.db2.gz MAMUHVXFXCNNIO-VIFPVBQESA-N 2 0 223.324 1.036 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1nccc2ncsc21 ZINC001159786577 964198916 /nfs/dbraw/zinc/19/89/16/964198916.db2.gz DVLPLGHXHDTRLU-QMMMGPOBSA-N 2 0 237.332 1.127 20 0 BDADRP CCCCc1cc(N[C@@H]([NH3+])CCC[NH3+])ncn1 ZINC001159788111 964201515 /nfs/dbraw/zinc/20/15/15/964201515.db2.gz HHPGIQVXEOCDNF-LLVKDONJSA-N 2 0 237.351 1.255 20 0 BDADRP [NH3+][C@@H]1CCC[N@@H+]([C@@H]2CCCSC2)CC1 ZINC000725661330 964227620 /nfs/dbraw/zinc/22/76/20/964227620.db2.gz MJYXLKQMIYFGTB-GHMZBOCLSA-N 2 0 214.378 1.695 20 0 BDADRP Cc1cc(C[NH3+])nn1C1CCC([NH+](C)C)CC1 ZINC001168295023 964389299 /nfs/dbraw/zinc/38/92/99/964389299.db2.gz PGWPZGCVWIAJST-UHFFFAOYSA-N 2 0 236.363 1.696 20 0 BDADRP C[C@@H](CO)CC[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168304356 964396117 /nfs/dbraw/zinc/39/61/17/964396117.db2.gz XYHHWLRYUZCWDV-PNESKVBLSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@@H]1C[C@H](O)C[N@@H+]1C1CCC([NH+](C)C)CC1 ZINC001168315021 964424963 /nfs/dbraw/zinc/42/49/63/964424963.db2.gz OYGSEPPLVPWZFC-XVSSEFHLSA-N 2 0 226.364 1.314 20 0 BDADRP CC(=O)C[N@@H+](C)C1CCC([NH+](C)C)CC1 ZINC001168315311 964426462 /nfs/dbraw/zinc/42/64/62/964426462.db2.gz UJKXCXOPFQKGMB-UHFFFAOYSA-N 2 0 212.337 1.380 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2C[C@@H]3COC[C@@H]3C2)CC1 ZINC001168319507 964440275 /nfs/dbraw/zinc/44/02/75/964440275.db2.gz VUVQLKHSDYBVAD-VTXSZYRJSA-N 2 0 238.375 1.437 20 0 BDADRP Cc1cnc(N[C@@H](C[NH3+])C(C)(C)C)c(C[NH3+])c1 ZINC001160914775 964446985 /nfs/dbraw/zinc/44/69/85/964446985.db2.gz WQVRVFFDAFMBCR-NSHDSACASA-N 2 0 236.363 1.634 20 0 BDADRP COC(=O)[C@H](C)[N@H+](C)C1CCC([NH+](C)C)CC1 ZINC001168324784 964447439 /nfs/dbraw/zinc/44/74/39/964447439.db2.gz XFKRVRHEDREPLT-UNXYVOJBSA-N 2 0 242.363 1.353 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2CCn3cncc3C2)CC1 ZINC001168326563 964454178 /nfs/dbraw/zinc/45/41/78/964454178.db2.gz BHOGPOYOTOOFGA-UHFFFAOYSA-N 2 0 248.374 1.572 20 0 BDADRP C[NH+](C)C1CCC([N@H+](C)Cc2ccno2)CC1 ZINC001168329437 964458487 /nfs/dbraw/zinc/45/84/87/964458487.db2.gz UCZZXMXEDMOKMV-UHFFFAOYSA-N 2 0 237.347 1.979 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2C[C@@H]3CCO[C@@H]3C2)CC1 ZINC001168327868 964459755 /nfs/dbraw/zinc/45/97/55/964459755.db2.gz RPQYTTPFWVRYTF-GFJIZPEISA-N 2 0 238.375 1.580 20 0 BDADRP CC(C)Oc1cc[nH+]c(NC/C=C/C[NH3+])c1 ZINC001160983280 964470729 /nfs/dbraw/zinc/47/07/29/964470729.db2.gz XNAIFJAVCNVMIA-ONEGZZNKSA-N 2 0 221.304 1.796 20 0 BDADRP CC(C)[C@H](CO)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168351075 964489407 /nfs/dbraw/zinc/48/94/07/964489407.db2.gz BBCXYLRGSMVASY-AWEZNQCLSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@H](C[NH+](C)C)NC1CC[NH+](CC2CC2)CC1 ZINC001168352690 964491571 /nfs/dbraw/zinc/49/15/71/964491571.db2.gz AKBFRTUDQVAVBX-GFCCVEGCSA-N 2 0 239.407 1.401 20 0 BDADRP [NH3+]Cc1ccn(C2CC[NH+](CC3CC3)CC2)n1 ZINC001168355994 964512458 /nfs/dbraw/zinc/51/24/58/964512458.db2.gz IGPCBRHQBCGCIS-UHFFFAOYSA-N 2 0 234.347 1.389 20 0 BDADRP NC(=[NH2+])c1nccn1C1CC[NH+](CC2CC2)CC1 ZINC001168358267 964528497 /nfs/dbraw/zinc/52/84/97/964528497.db2.gz OXGQEFLHNDTTEN-UHFFFAOYSA-N 2 0 247.346 1.214 20 0 BDADRP Nc1cc[nH+]c(N[C@H]2CC[N@@H+](C3CCC3)C2)c1 ZINC001161176640 964548782 /nfs/dbraw/zinc/54/87/82/964548782.db2.gz ZXYTUNHEAJJFAL-NSHDSACASA-N 2 0 232.331 1.703 20 0 BDADRP C(CC1COC1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168359657 964550926 /nfs/dbraw/zinc/55/09/26/964550926.db2.gz DPBZTJHJPZQSKJ-UHFFFAOYSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@H](CC[NH2+][C@H]1CCCOC1)[NH+](C)C ZINC000697868665 964594611 /nfs/dbraw/zinc/59/46/11/964594611.db2.gz CKBDQJSXAUQJJZ-MNOVXSKESA-N 2 0 200.326 1.095 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+]CC[C@H](C)[NH+](C)C)C1 ZINC000697910336 964677346 /nfs/dbraw/zinc/67/73/46/964677346.db2.gz SUQWLCYSIBQAJU-YNEHKIRRSA-N 2 0 228.380 1.874 20 0 BDADRP C[C@H]([NH3+])c1ccc(NCC[NH+](C)C)cc1 ZINC001161671565 964677497 /nfs/dbraw/zinc/67/74/97/964677497.db2.gz VQTVDMDBVWIRHP-JTQLQIEISA-N 2 0 207.321 1.680 20 0 BDADRP C[C@@H](C[NH3+])CN(C)C1CC[NH+](CC2CC2)CC1 ZINC001168365632 964717816 /nfs/dbraw/zinc/71/78/16/964717816.db2.gz AZYGNGIBEHFFNN-LBPRGKRZSA-N 2 0 239.407 1.387 20 0 BDADRP C[NH+](C)CCCCNc1cccc(C[NH3+])c1 ZINC001161731275 964719865 /nfs/dbraw/zinc/71/98/65/964719865.db2.gz YQNWMSFRLWTFHH-UHFFFAOYSA-N 2 0 221.348 1.899 20 0 BDADRP Cc1ccc(NC[C@H]2C[NH2+]CC(C)(C)O2)[nH+]c1C ZINC001161953892 964834426 /nfs/dbraw/zinc/83/44/26/964834426.db2.gz BFVLGVDVQYVJBS-GFCCVEGCSA-N 2 0 249.358 1.877 20 0 BDADRP [NH3+]Cc1cn(-c2ccc([C@@H]3CCC[NH2+]3)cn2)cn1 ZINC001162296981 964915396 /nfs/dbraw/zinc/91/53/96/964915396.db2.gz SACHEJDWJZRDKI-LBPRGKRZSA-N 2 0 243.314 1.151 20 0 BDADRP C/C=C(\NC=[NH2+])NC[C@H]1CCC[NH2+]C[C@@H]1C ZINC001162455330 964984337 /nfs/dbraw/zinc/98/43/37/964984337.db2.gz RUXBAHGDXVUONV-UZCDSNMBSA-N 2 0 224.352 1.270 20 0 BDADRP C[C@H]1[NH2+]CC[C@H]1Nc1c[nH+]cc2cc[nH]c21 ZINC001162677819 965108623 /nfs/dbraw/zinc/10/86/23/965108623.db2.gz QWASRCOAAZHHSN-PSASIEDQSA-N 2 0 216.288 1.725 20 0 BDADRP C[C@H]1[NH2+]CC[C@H]1Nc1cc[nH+]cc1C(F)(F)F ZINC001162677594 965109754 /nfs/dbraw/zinc/10/97/54/965109754.db2.gz NSDGWVVCMPYMOQ-VXNVDRBHSA-N 2 0 245.248 1.685 20 0 BDADRP [NH3+][C@H]1COC[C@H]1Nc1ccc([C@H]2CCC[NH2+]2)cc1 ZINC001162925103 965210481 /nfs/dbraw/zinc/21/04/81/965210481.db2.gz MXBAJZNACXJQGV-BFHYXJOUSA-N 2 0 247.342 1.249 20 0 BDADRP Cc1ccc(N[C@@H]2COC[C@@H]2[NH3+])c(C[NH+](C)C)c1 ZINC001162926397 965212200 /nfs/dbraw/zinc/21/22/00/965212200.db2.gz RENXXARMRDOGKO-GXTWGEPZSA-N 2 0 249.358 1.195 20 0 BDADRP C[C@H]([NH3+])c1ccc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)cc1 ZINC001163146151 965265437 /nfs/dbraw/zinc/26/54/37/965265437.db2.gz JCFNCQWQDUBBSJ-KQURDKLPSA-N 2 0 247.342 1.105 20 0 BDADRP Cc1cc2[nH+]ccn2cc1-n1ccnc1C(N)=[NH2+] ZINC001168417224 965350442 /nfs/dbraw/zinc/35/04/42/965350442.db2.gz CRUKIXRSOUHPPE-UHFFFAOYSA-N 2 0 240.270 1.112 20 0 BDADRP CC(C)[N@H+](CC1CC[NH2+]CC1)C1CCOCC1 ZINC000094012433 965367499 /nfs/dbraw/zinc/36/74/99/965367499.db2.gz KMKCCDWRJNSPFO-UHFFFAOYSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1c(N)cc[nH+]c1N[C@H]1C[NH+]2CCC1CC2 ZINC001163385552 965385652 /nfs/dbraw/zinc/38/56/52/965385652.db2.gz AWJCBNDNLNIIMH-LBPRGKRZSA-N 2 0 232.331 1.478 20 0 BDADRP C[C@@H](C[NH+](C)C)Nc1cccc(C[NH+](C)C)n1 ZINC001163778218 965580549 /nfs/dbraw/zinc/58/05/49/965580549.db2.gz DUSWQHUQGFVJHK-NSHDSACASA-N 2 0 236.363 1.505 20 0 BDADRP C1C[NH2+][C@@H]2CC[N@@H+]([C@@H]3CCCOC3)C[C@H]2C1 ZINC000715066406 965667457 /nfs/dbraw/zinc/66/74/57/965667457.db2.gz ZWNHSJGBPPTCPW-JHJVBQTASA-N 2 0 224.348 1.239 20 0 BDADRP C/C=C(\NC=[NH2+])NCc1cccc(C[NH+](C)C)c1 ZINC001163992601 965682487 /nfs/dbraw/zinc/68/24/87/965682487.db2.gz HONXXPROAGDQGH-CPSFFCFKSA-N 2 0 246.358 1.896 20 0 BDADRP [NH3+][C@@H]1CCC[N@H+](Cc2cccc3nonc32)CC1 ZINC001205093553 965715247 /nfs/dbraw/zinc/71/52/47/965715247.db2.gz BNBASHPILPIYLP-LLVKDONJSA-N 2 0 246.314 1.536 20 0 BDADRP C[C@H]1CC[C@H](C[NH3+])N(c2cc(N)cc[nH+]2)C1 ZINC001164063298 965723624 /nfs/dbraw/zinc/72/36/24/965723624.db2.gz RJXPLFMVDJJYSF-GXSJLCMTSA-N 2 0 220.320 1.227 20 0 BDADRP [NH3+][C@H]1CCC[N@H+](Cc2cccc(O)c2)CC1 ZINC001205095041 965736270 /nfs/dbraw/zinc/73/62/70/965736270.db2.gz TXOGZHGBRWEZPU-LBPRGKRZSA-N 2 0 220.316 1.705 20 0 BDADRP C[C@]1(C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCO1 ZINC000699210308 965811467 /nfs/dbraw/zinc/81/14/67/965811467.db2.gz LWBMHOGBXRQGBJ-WTUNAVPPSA-N 2 0 238.375 1.676 20 0 BDADRP C[NH+](C)C1CCC([NH2+]C[C@H]2CC[C@@H](O)C2)CC1 ZINC000715184951 965815804 /nfs/dbraw/zinc/81/58/04/965815804.db2.gz IZMGWCBANWPZPA-GFJIZPEISA-N 2 0 240.391 1.610 20 0 BDADRP C[N@H+](C[C@@H]1CCOC1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699260573 965824743 /nfs/dbraw/zinc/82/47/43/965824743.db2.gz NVNPMJGXKRNIPU-FUDCBSFHSA-N 2 0 238.375 1.485 20 0 BDADRP C[N@@H+]1CC[C@H](c2ccc(N3CC[C@H]([NH3+])C3)cc2)C1 ZINC001164288268 965831520 /nfs/dbraw/zinc/83/15/20/965831520.db2.gz NFWSPTYRUZJLFK-KBPBESRZSA-N 2 0 245.370 1.643 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH3+])CN1c1cc(N)cc[nH+]1 ZINC001164456345 965890198 /nfs/dbraw/zinc/89/01/98/965890198.db2.gz LCNMCLWTYQVLGN-ZJUUUORDSA-N 2 0 220.320 1.227 20 0 BDADRP CC[C@@H]1COC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000699500005 965920095 /nfs/dbraw/zinc/92/00/95/965920095.db2.gz ZOPDAKVBMZWGOL-RFGFWPKPSA-N 2 0 238.375 1.628 20 0 BDADRP CO[C@H]1C[C@H]([NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC000715206195 965948753 /nfs/dbraw/zinc/94/87/53/965948753.db2.gz RNPLPABPWXFLJL-FLWUZPLOSA-N 2 0 226.364 1.626 20 0 BDADRP Cc1cnc(N(C)CC[NH+]2CCCC2)c(C[NH3+])c1 ZINC001165141868 965970855 /nfs/dbraw/zinc/97/08/55/965970855.db2.gz PAFJSJBSFPDFKA-UHFFFAOYSA-N 2 0 248.374 1.381 20 0 BDADRP C[NH+]1C[C@@H]2CN(c3cc4[nH]ccc4c[nH+]3)C[C@H]2C1 ZINC001165152510 965975011 /nfs/dbraw/zinc/97/50/11/965975011.db2.gz YBCKWRPLBIXGTJ-VXGBXAGGSA-N 2 0 242.326 1.561 20 0 BDADRP C(C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@H]1CCCCO1 ZINC000699597657 966006172 /nfs/dbraw/zinc/00/61/72/966006172.db2.gz LXZHEZHHVUGRIK-BFHYXJOUSA-N 2 0 238.375 1.487 20 0 BDADRP Cc1[nH+]c(N2CC[C@@H]3[NH2+]CC[C@H]32)cc2[nH]ccc21 ZINC001165299684 966039314 /nfs/dbraw/zinc/03/93/14/966039314.db2.gz PWZZEARYYFBLQT-WCQYABFASA-N 2 0 242.326 1.812 20 0 BDADRP C1C[C@@H]2CN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)CCC[N@@H+]2C1 ZINC000829383719 966053814 /nfs/dbraw/zinc/05/38/14/966053814.db2.gz UPFGDVNHQLNVIG-PEUVFPKISA-N 2 0 249.402 1.440 20 0 BDADRP [NH3+]C[C@@H]1CCCN(C[C@H]([NH3+])Cc2ccccc2)C1 ZINC001235674641 966091995 /nfs/dbraw/zinc/09/19/95/966091995.db2.gz USVFFLZLSHFJPC-LSDHHAIUSA-N 2 0 247.386 1.227 20 0 BDADRP [NH3+]C[C@H]1CCCN(C[C@H]([NH3+])Cc2ccccc2)C1 ZINC001235674632 966094767 /nfs/dbraw/zinc/09/47/67/966094767.db2.gz USVFFLZLSHFJPC-HUUCEWRRSA-N 2 0 247.386 1.227 20 0 BDADRP CCC1([NH+](C)C)CC[NH+]([C@H](C)[C@H](C)O)CC1 ZINC000715266419 966110339 /nfs/dbraw/zinc/11/03/39/966110339.db2.gz NTVSUDCZXICBFL-NEPJUHHUSA-N 2 0 228.380 1.562 20 0 BDADRP CCN(C[C@@H]([NH3+])c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001236005121 966221007 /nfs/dbraw/zinc/22/10/07/966221007.db2.gz IZJTXMFBAHYYTE-LSDHHAIUSA-N 2 0 247.386 1.760 20 0 BDADRP C[C@H]1C[C@H]([NH3+])CN(Cc2cccc3c2CCN3)C1 ZINC001236052414 966256140 /nfs/dbraw/zinc/25/61/40/966256140.db2.gz QUYPXITYBWBGBZ-AAEUAGOBSA-N 2 0 245.370 1.824 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CN(Cc2cccc3c2CCN3)C1 ZINC001236052419 966256203 /nfs/dbraw/zinc/25/62/03/966256203.db2.gz QUYPXITYBWBGBZ-DGCLKSJQSA-N 2 0 245.370 1.824 20 0 BDADRP CN(CC[C@H]1CCC[NH2+]C1)[C@]1(C)CCC[NH2+]C1 ZINC001236200751 966308050 /nfs/dbraw/zinc/30/80/50/966308050.db2.gz JHQFVJPMEXZPDO-ZIAGYGMSSA-N 2 0 239.407 1.450 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)C1(C)C ZINC000300619430 966343539 /nfs/dbraw/zinc/34/35/39/966343539.db2.gz DAOLJYASBLZEFE-MROQNXINSA-N 2 0 240.391 1.635 20 0 BDADRP [NH3+]C1CCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC001166661755 966351097 /nfs/dbraw/zinc/35/10/97/966351097.db2.gz RJIJGWLSFBJOTN-UHFFFAOYSA-N 2 0 216.288 1.490 20 0 BDADRP Cc1ncccc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236316380 966367047 /nfs/dbraw/zinc/36/70/47/966367047.db2.gz RMGARNFQHDPSDO-GASCZTMLSA-N 2 0 245.370 1.821 20 0 BDADRP CCC[N@H+](CCCC[NH3+])C[C@@H]1CC[NH2+]C1 ZINC001236833056 966561484 /nfs/dbraw/zinc/56/14/84/966561484.db2.gz YPTSERGPYSNOIQ-GFCCVEGCSA-N 3 0 213.369 1.047 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+](Cc1cccc(O)c1)CC2 ZINC001203864127 966802377 /nfs/dbraw/zinc/80/23/77/966802377.db2.gz PBJPITSWKMMYNV-UHFFFAOYSA-N 2 0 246.354 1.920 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+](Cc1cccnc1)CC2 ZINC001204076483 966882343 /nfs/dbraw/zinc/88/23/43/966882343.db2.gz XWJAPZASTCOOKD-UHFFFAOYSA-N 2 0 231.343 1.609 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(O)cc1)CC2 ZINC001204097177 966895705 /nfs/dbraw/zinc/89/57/05/966895705.db2.gz SIXJRSFJYBNZHA-UHFFFAOYSA-N 2 0 246.354 1.920 20 0 BDADRP CCC1(Nc2ccc([C@H]3CCC[NH2+]3)cn2)C[NH2+]C1 ZINC001168581459 966915905 /nfs/dbraw/zinc/91/59/05/966915905.db2.gz YDFCVHMHSAXBBN-GFCCVEGCSA-N 2 0 246.358 1.670 20 0 BDADRP CCC1(Nc2ccc3[nH]c(N)[nH+]c3c2)C[NH2+]C1 ZINC001168581954 966919888 /nfs/dbraw/zinc/91/98/88/966919888.db2.gz BSWZLCKONYNJEN-UHFFFAOYSA-N 2 0 231.303 1.309 20 0 BDADRP CN1CCC[C@H]1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715503004 966938485 /nfs/dbraw/zinc/93/84/85/966938485.db2.gz WAEFCVWRSHNPAM-RUXDESIVSA-N 2 0 239.407 1.543 20 0 BDADRP C[NH+](C)C1CCC([NH2+]CCn2ccnc2)CC1 ZINC000715503430 966939397 /nfs/dbraw/zinc/93/93/97/966939397.db2.gz YDSPJENQUDXFAB-UHFFFAOYSA-N 2 0 236.363 1.346 20 0 BDADRP COc1cc(C[NH+]2CCC(C[NH3+])CC2)ccn1 ZINC001205033368 967219644 /nfs/dbraw/zinc/21/96/44/967219644.db2.gz CSLJFMGZJKXOLN-UHFFFAOYSA-N 2 0 235.331 1.261 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CC[C@H](O)C(C)(C)C2)CC1 ZINC000691347999 967253934 /nfs/dbraw/zinc/25/39/34/967253934.db2.gz AUEFDRWYTRRESQ-ZDUSSCGKSA-N 2 0 240.391 1.421 20 0 BDADRP C[C@@H](O)C[C@@H]1CCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000691352318 967262496 /nfs/dbraw/zinc/26/24/96/967262496.db2.gz XROASRFJBFQDFQ-OCCSQVGLSA-N 2 0 240.391 1.564 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCC[C@@H](CCO)C2)CC1 ZINC000691351866 967263045 /nfs/dbraw/zinc/26/30/45/967263045.db2.gz UKHGEVGFTAYYIL-ZDUSSCGKSA-N 2 0 240.391 1.423 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2ccnc(F)c2)CC1 ZINC001205041232 967268228 /nfs/dbraw/zinc/26/82/28/967268228.db2.gz RJBSDNMOUKGXKP-UHFFFAOYSA-N 2 0 223.295 1.391 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2ncccc2F)CC1 ZINC001205033721 967298641 /nfs/dbraw/zinc/29/86/41/967298641.db2.gz NAOPMSOOWRKGBF-UHFFFAOYSA-N 2 0 223.295 1.391 20 0 BDADRP CCCn1cnc(C[NH+]2CCC(C[NH3+])CC2)c1 ZINC001205046348 967301345 /nfs/dbraw/zinc/30/13/45/967301345.db2.gz FJQMDPGNODISIO-UHFFFAOYSA-N 2 0 236.363 1.464 20 0 BDADRP Cc1ccc(O)cc1C[NH+]1CCC(C[NH3+])CC1 ZINC001205058637 967313492 /nfs/dbraw/zinc/31/34/92/967313492.db2.gz PJOPETYHEFMOLD-UHFFFAOYSA-N 2 0 234.343 1.871 20 0 BDADRP C[C@H]1CC[C@@H](C[NH3+])N1Cc1cccc(C[NH3+])c1 ZINC001205083800 967331082 /nfs/dbraw/zinc/33/10/82/967331082.db2.gz ZBYHRBKGAKGDGO-FZMZJTMJSA-N 2 0 233.359 1.457 20 0 BDADRP CS[C@H](C)CC[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205094817 967337174 /nfs/dbraw/zinc/33/71/74/967337174.db2.gz QKZQCTUTWIIATB-MNOVXSKESA-N 2 0 216.394 1.941 20 0 BDADRP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(O)cc2)CC1 ZINC001205093600 967342810 /nfs/dbraw/zinc/34/28/10/967342810.db2.gz CCJYXKHYEJCHBN-GFCCVEGCSA-N 2 0 220.316 1.705 20 0 BDADRP C[C@H]1C[N@H+](Cc2[nH]nc3ccccc32)C[C@H]1C[NH3+] ZINC001205136312 967384341 /nfs/dbraw/zinc/38/43/41/967384341.db2.gz XISNUZWMSYZBFM-WDEREUQCSA-N 2 0 244.342 1.590 20 0 BDADRP Cc1cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cnc1C ZINC001205146175 967391961 /nfs/dbraw/zinc/39/19/61/967391961.db2.gz RRHULYBVTSSQRJ-SMDDNHRTSA-N 2 0 233.359 1.725 20 0 BDADRP C[C@H]1CN(Cc2cc3ccccn3n2)C[C@H]1C[NH3+] ZINC001205150766 967394554 /nfs/dbraw/zinc/39/45/54/967394554.db2.gz JVVAHFINHXDJRO-NWDGAFQWSA-N 2 0 244.342 1.361 20 0 BDADRP COc1ccc(CN2C[C@H](C)[C@H](C[NH3+])C2)nc1C ZINC001205156227 967396163 /nfs/dbraw/zinc/39/61/63/967396163.db2.gz UAJDJZRPPIINMU-CMPLNLGQSA-N 2 0 249.358 1.425 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCN1CC1(C)CC[NH+](C)CC1 ZINC001205171756 967413671 /nfs/dbraw/zinc/41/36/71/967413671.db2.gz XJBJGOBQPYYOCA-VXGBXAGGSA-N 2 0 225.380 1.140 20 0 BDADRP [NH3+]C[C@@]1(O)CCC[N@H+](CC2CCCCC2)CC1 ZINC001205212307 967431116 /nfs/dbraw/zinc/43/11/16/967431116.db2.gz YMGMUDYTGJHSHO-CQSZACIVSA-N 2 0 240.391 1.742 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCC[C@](C)([NH3+])CC2)CC1 ZINC001205257906 967449833 /nfs/dbraw/zinc/44/98/33/967449833.db2.gz YLZFHGDKSMIGON-AWEZNQCLSA-N 3 0 239.407 1.532 20 0 BDADRP C[C@H]1CCNCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001205324909 967529748 /nfs/dbraw/zinc/52/97/48/967529748.db2.gz HUIFHYMINGORPK-QWHCGFSZSA-N 2 0 225.380 1.060 20 0 BDADRP [NH3+]C[C@@]1(F)CCC[N@H+](CC23CC([NH3+])(C2)C3)CC1 ZINC001205536901 967672001 /nfs/dbraw/zinc/67/20/01/967672001.db2.gz BSZHYJMQVUCYJK-OTTFEQOBSA-N 3 0 241.354 1.021 20 0 BDADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2ccncc2)CC1 ZINC001205545446 967690335 /nfs/dbraw/zinc/69/03/35/967690335.db2.gz HIRJZUGTNVNDFE-ZDUSSCGKSA-N 2 0 237.322 1.735 20 0 BDADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cc[nH]c2)CC1 ZINC001205571259 967702488 /nfs/dbraw/zinc/70/24/88/967702488.db2.gz SCJWXMPHRSFVBH-GFCCVEGCSA-N 2 0 225.311 1.668 20 0 BDADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2ccns2)CC1 ZINC001205582743 967704821 /nfs/dbraw/zinc/70/48/21/967704821.db2.gz YMKPNWPQTPSUPH-LLVKDONJSA-N 2 0 243.351 1.796 20 0 BDADRP Cc1c[nH]c(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)n1 ZINC001205617855 967728890 /nfs/dbraw/zinc/72/88/90/967728890.db2.gz OOTAITULVKWNSE-JQWIXIFHSA-N 2 0 236.363 1.525 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2cnccc2N)CC[C@@H]1C[NH3+] ZINC001205618577 967730962 /nfs/dbraw/zinc/73/09/62/967730962.db2.gz XGVFYPRDMLMERG-VXGBXAGGSA-N 2 0 248.374 1.301 20 0 BDADRP Cc1ncoc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205627693 967737092 /nfs/dbraw/zinc/73/70/92/967737092.db2.gz RRUSOCFMQZJISV-CMPLNLGQSA-N 2 0 237.347 1.790 20 0 BDADRP CC(C)CCC[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205662867 967748090 /nfs/dbraw/zinc/74/80/90/967748090.db2.gz DZCDLZFQRCEJMH-CYBMUJFWSA-N 2 0 228.380 1.598 20 0 BDADRP Cc1nonc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205655367 967750367 /nfs/dbraw/zinc/75/03/67/967750367.db2.gz ZPFVIUMSOBLGDT-KOLCDFICSA-N 2 0 238.335 1.185 20 0 BDADRP [NH3+]C[C@@H]1CN(C[C@H]2CCCC[NH2+]2)CCC1(F)F ZINC001205734720 967808224 /nfs/dbraw/zinc/80/82/24/967808224.db2.gz GXZLERGBVQKDNX-GHMZBOCLSA-N 2 0 247.333 1.044 20 0 BDADRP Cc1ncc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)o1 ZINC001276484597 967824313 /nfs/dbraw/zinc/82/43/13/967824313.db2.gz SGRHZLZBUXZPSG-BETUJISGSA-N 2 0 249.358 1.757 20 0 BDADRP [NH3+]Cc1cccc(N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC001162395381 967827539 /nfs/dbraw/zinc/82/75/39/967827539.db2.gz CJQQYLNJXZGRKR-AAEUAGOBSA-N 2 0 219.332 1.827 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH3+])N(C[C@H]2CCCC[NH2+]2)C1 ZINC001205806656 967830255 /nfs/dbraw/zinc/83/02/55/967830255.db2.gz VAGSKUDPQATUQQ-UPJWGTAASA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC001205863487 967862644 /nfs/dbraw/zinc/86/26/44/967862644.db2.gz XOIPXXFEXDPVQZ-YPMHNXCESA-N 2 0 225.380 1.045 20 0 BDADRP C[C@@H]1CCN(Cc2cccc(C[NH3+])c2)C[C@@H]1[NH3+] ZINC001205888782 967873152 /nfs/dbraw/zinc/87/31/52/967873152.db2.gz KDPPXCKXOJHQDU-RISCZKNCSA-N 2 0 233.359 1.314 20 0 BDADRP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1CCCCCO ZINC001205902253 967881086 /nfs/dbraw/zinc/88/10/86/967881086.db2.gz JIMWHUVPZNFNAP-NEPJUHHUSA-N 2 0 214.353 1.208 20 0 BDADRP [NH3+][C@@H]1CC[N@H+](CCCc2ccccc2)C[C@H]1O ZINC001205938526 967890552 /nfs/dbraw/zinc/89/05/52/967890552.db2.gz ITDTUBQJLUYARQ-ZIAGYGMSSA-N 2 0 234.343 1.013 20 0 BDADRP [NH3+][C@@H]1CC[N@H+](CC2CCC(F)(F)CC2)C[C@H]1O ZINC001205946421 967897192 /nfs/dbraw/zinc/89/71/92/967897192.db2.gz LVZYWKINYGTDRO-GHMZBOCLSA-N 2 0 248.317 1.206 20 0 BDADRP C[C@H]1C[N@H+](CCCCC[NH3+])CCC[C@@H]1C[NH3+] ZINC001205984231 967931378 /nfs/dbraw/zinc/93/13/78/967931378.db2.gz RLPFTEMBHJWBHR-QWHCGFSZSA-N 3 0 227.396 1.422 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cnn(C)c2)CCC[C@H]1C[NH3+] ZINC001205995242 967951663 /nfs/dbraw/zinc/95/16/63/967951663.db2.gz NJIKVOZRMBTUEX-YPMHNXCESA-N 2 0 236.363 1.227 20 0 BDADRP C[C@H]1C[N@H+](Cc2cccnn2)CCC[C@@H]1C[NH3+] ZINC001206005633 967956775 /nfs/dbraw/zinc/95/67/75/967956775.db2.gz YWMQSAJKMIVJPZ-NWDGAFQWSA-N 2 0 234.347 1.283 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccns2)CCC[C@@H]1C[NH3+] ZINC001206012388 967966151 /nfs/dbraw/zinc/96/61/51/967966151.db2.gz LAIISDODMSMKPU-GHMZBOCLSA-N 2 0 239.388 1.950 20 0 BDADRP C[C@@H]1CCN(Cc2cccc3c2CCN3)C[C@H]1[NH3+] ZINC001206043760 968007440 /nfs/dbraw/zinc/00/74/40/968007440.db2.gz WOPVTOIURSFWEW-BXUZGUMPSA-N 2 0 245.370 1.824 20 0 BDADRP Cc1cccc(C)c1CN1CC[C@@H](O)[C@H]([NH3+])C1 ZINC001206086638 968051364 /nfs/dbraw/zinc/05/13/64/968051364.db2.gz JAUKEYPWMPNLFR-ZIAGYGMSSA-N 2 0 234.343 1.197 20 0 BDADRP C[NH+](C)CC(C)(C)CNc1cc(C[NH3+])ccn1 ZINC001168763153 968061782 /nfs/dbraw/zinc/06/17/82/968061782.db2.gz RJRDHTQTACTIKD-UHFFFAOYSA-N 2 0 236.363 1.540 20 0 BDADRP CN(C)c1cc(OC2CC[NH+](C)CC2)cc[nH+]1 ZINC001163572656 968066221 /nfs/dbraw/zinc/06/62/21/968066221.db2.gz SGMMMNYMIGRRGF-UHFFFAOYSA-N 2 0 235.331 1.621 20 0 BDADRP CCC[NH2+]CCNC(=O)[C@H]([NH3+])C1CCCCC1 ZINC001118265993 968100994 /nfs/dbraw/zinc/10/09/94/968100994.db2.gz JAYPOVIAWKUNCQ-GFCCVEGCSA-N 2 0 241.379 1.010 20 0 BDADRP CO[C@H](C)C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC001206214998 968146961 /nfs/dbraw/zinc/14/69/61/968146961.db2.gz JFXIPZFCURFSBW-VXGBXAGGSA-N 2 0 214.353 1.343 20 0 BDADRP CC[C@@H]1OCC[C@H]1[NH2+]CC1CC[NH+](CC)CC1 ZINC001206239514 968161625 /nfs/dbraw/zinc/16/16/25/968161625.db2.gz HMNKENQSMJOERF-KGLIPLIRSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1C[NH2+]CCN(C[C@H]([NH3+])Cc2ccccc2)C1 ZINC001206269368 968185737 /nfs/dbraw/zinc/18/57/37/968185737.db2.gz LBLOWVPRTRLLFQ-UKRRQHHQSA-N 2 0 247.386 1.098 20 0 BDADRP C[NH+](C)CCO[C@@H]1CCC[N@H+](C)CC1 ZINC001206272228 968191495 /nfs/dbraw/zinc/19/14/95/968191495.db2.gz DWXJCOYYSAAJQX-LLVKDONJSA-N 2 0 200.326 1.049 20 0 BDADRP C[C@@]1(C[NH3+])CCCN(C[C@@H]2CCC[NH2+]2)CC1 ZINC001206295820 968193803 /nfs/dbraw/zinc/19/38/03/968193803.db2.gz NYCMRIBNYBJDSM-QWHCGFSZSA-N 2 0 225.380 1.189 20 0 BDADRP C[NH+](C)CCCOC1CCC([NH+](C)C)CC1 ZINC001206295939 968201595 /nfs/dbraw/zinc/20/15/95/968201595.db2.gz IAJMBWXAGJNLBQ-UHFFFAOYSA-N 2 0 228.380 1.828 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2ccncn2)CC1 ZINC001206311887 968219024 /nfs/dbraw/zinc/21/90/24/968219024.db2.gz WKQVVQVGJYOMTI-ZDUSSCGKSA-N 2 0 234.347 1.428 20 0 BDADRP Cc1nc(C)c(C)c(N2C[C@@H](C[NH3+])CC[C@H]2C)n1 ZINC001164474178 968237514 /nfs/dbraw/zinc/23/75/14/968237514.db2.gz NHJHWEZMYXSBHG-NOZJJQNGSA-N 2 0 248.374 1.965 20 0 BDADRP Nc1cc[nH+]c(N2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001165236768 968276550 /nfs/dbraw/zinc/27/65/50/968276550.db2.gz QSZROWMVPMOASN-ZDUSSCGKSA-N 2 0 232.331 1.244 20 0 BDADRP CC[NH+]1CCC(CN2C[C@@H]([NH3+])C[C@H](F)C2)CC1 ZINC001206406132 968283983 /nfs/dbraw/zinc/28/39/83/968283983.db2.gz VJBYAEYNCVHYOR-STQMWFEESA-N 2 0 243.370 1.089 20 0 BDADRP CN(C)c1cc[nH+]c(N2CCC[C@@H]3[NH2+]C[C@@H]32)c1 ZINC001165390929 968285020 /nfs/dbraw/zinc/28/50/20/968285020.db2.gz MFGQMPXLQUPAIH-RYUDHWBXSA-N 2 0 232.331 1.088 20 0 BDADRP C[C@]1(C[NH3+])CCCCN(C[C@H]2CCC[NH2+]2)C1 ZINC001206542117 968369026 /nfs/dbraw/zinc/36/90/26/968369026.db2.gz RTQBKTHBKJXWJS-CHWSQXEVSA-N 2 0 225.380 1.189 20 0 BDADRP [NH3+]C[C@@H]1CCCCN(C[C@@H]2CCCC[NH2+]2)C1 ZINC001206606550 968399903 /nfs/dbraw/zinc/39/99/03/968399903.db2.gz OYYYYJZAZBVSNO-STQMWFEESA-N 2 0 225.380 1.189 20 0 BDADRP CC[C@@H]([NH3+])CN(C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206584198 968400064 /nfs/dbraw/zinc/40/00/64/968400064.db2.gz XMTYXWRTPILONL-OLZOCXBDSA-N 2 0 227.396 1.576 20 0 BDADRP CC[C@@H]([NH3+])CN(C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206584196 968401172 /nfs/dbraw/zinc/40/11/72/968401172.db2.gz XMTYXWRTPILONL-CHWSQXEVSA-N 2 0 227.396 1.576 20 0 BDADRP [NH3+]C[C@H]1CCCC[N@H+](C[C@H]2CCC=CO2)C1 ZINC001206607256 968413496 /nfs/dbraw/zinc/41/34/96/968413496.db2.gz YRUCPCFPFTYVLN-CHWSQXEVSA-N 2 0 224.348 1.740 20 0 BDADRP [NH3+]C[C@H]1CCCCN(C[C@H]2CCCC[NH2+]2)C1 ZINC001206606547 968414438 /nfs/dbraw/zinc/41/44/38/968414438.db2.gz OYYYYJZAZBVSNO-CHWSQXEVSA-N 2 0 225.380 1.189 20 0 BDADRP [NH3+]C[C@H]1CCCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC001206607381 968415555 /nfs/dbraw/zinc/41/55/55/968415555.db2.gz ZTQQUBBZPVABLT-OLZOCXBDSA-N 3 0 225.380 1.047 20 0 BDADRP N[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)CCC1(F)F ZINC001206649259 968428465 /nfs/dbraw/zinc/42/84/65/968428465.db2.gz RZSQLQHALNISMT-LLVKDONJSA-N 2 0 247.333 1.044 20 0 BDADRP C[NH2+]CCN1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001206745274 968451526 /nfs/dbraw/zinc/45/15/26/968451526.db2.gz SAVIVXFSCYCPLN-UHFFFAOYSA-N 2 0 247.386 1.198 20 0 BDADRP Cc1ncc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)n1C ZINC001206793000 968476154 /nfs/dbraw/zinc/47/61/54/968476154.db2.gz RQDQYWQWJKLPIG-OLZOCXBDSA-N 2 0 248.374 1.112 20 0 BDADRP C[N@H+](C1CCC([NH3+])CC1)[C@H]1CCCOCC1 ZINC000085869335 968507800 /nfs/dbraw/zinc/50/78/00/968507800.db2.gz DGWOTZPIDXDBKB-CPCZMJQVSA-N 2 0 226.364 1.757 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc[nH]c3=O)C[C@@H]2C1 ZINC001207005219 968538487 /nfs/dbraw/zinc/53/84/87/968538487.db2.gz YVKLNAABNTYHBX-YPMHNXCESA-N 2 0 247.342 1.171 20 0 BDADRP Cc1cncc(C[NH+]2CC3(C2)CC[NH+](C)CC3)c1 ZINC001207162821 968669643 /nfs/dbraw/zinc/66/96/43/968669643.db2.gz ZCTIWMPBPHMAIQ-UHFFFAOYSA-N 2 0 245.370 1.918 20 0 BDADRP C[NH+](C)CC(C)(C)C[N@@H+]1CC[C@](C)(O)C1 ZINC001207279329 968713045 /nfs/dbraw/zinc/71/30/45/968713045.db2.gz KPLVWTPLDFOXGG-LBPRGKRZSA-N 2 0 214.353 1.031 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)CC1 ZINC001207398764 968749519 /nfs/dbraw/zinc/74/95/19/968749519.db2.gz NQULTLLNWZOLRM-QWHCGFSZSA-N 2 0 224.348 1.049 20 0 BDADRP C[C@H]1CC[N@H+](CC2CC[NH+](C)CC2)CCC1=O ZINC001207395930 968751784 /nfs/dbraw/zinc/75/17/84/968751784.db2.gz ZSISFTMGHAOGAF-LBPRGKRZSA-N 2 0 238.375 1.629 20 0 BDADRP F[C@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@@H]2C[C@@H]21 ZINC001207436262 968767546 /nfs/dbraw/zinc/76/75/46/968767546.db2.gz ZCEAMLPJWVZVHI-SRVKXCTJSA-N 2 0 212.312 1.276 20 0 BDADRP C[N@@H+](CC(=O)c1ccccc1)CC1CC[NH2+]CC1 ZINC001207441014 968773751 /nfs/dbraw/zinc/77/37/51/968773751.db2.gz OGGKCETWUZKXRU-UHFFFAOYSA-N 2 0 246.354 1.801 20 0 BDADRP FC[C@H]1[C@@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@H]12 ZINC001207438596 968774595 /nfs/dbraw/zinc/77/45/95/968774595.db2.gz BCGOJRRNOOIRRF-CNDDSTCGSA-N 2 0 212.312 1.133 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+](CC1CC[NH2+]CC1)CC2 ZINC001207440853 968775850 /nfs/dbraw/zinc/77/58/50/968775850.db2.gz HVDXNYQGWOUULX-UHFFFAOYSA-N 3 0 237.391 1.014 20 0 BDADRP CN1CCC[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@H]21 ZINC001207470376 968788278 /nfs/dbraw/zinc/78/82/78/968788278.db2.gz QSVWENUIHJXAFM-MGPQQGTHSA-N 2 0 238.375 1.439 20 0 BDADRP C[NH+]1CCC(CC[NH+]2CC3(C2)CCOC3)CC1 ZINC001207479298 968792097 /nfs/dbraw/zinc/79/20/97/968792097.db2.gz FMZSZZSXKRXACQ-UHFFFAOYSA-N 2 0 238.375 1.441 20 0 BDADRP C[NH+]1CCC(CC[N@@H+]2CCC[C@@H](CO)C2)CC1 ZINC001207479052 968793893 /nfs/dbraw/zinc/79/38/93/968793893.db2.gz BYBFPYOCKCIYSO-CQSZACIVSA-N 2 0 240.391 1.423 20 0 BDADRP C[N@H+](CCC1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC001207484887 968799384 /nfs/dbraw/zinc/79/93/84/968799384.db2.gz OJQKUWFOFAUHRE-CYBMUJFWSA-N 2 0 226.364 1.439 20 0 BDADRP C[NH+]1CCC(CC[NH+]2CC(C(F)F)C2)CC1 ZINC001207489212 968803775 /nfs/dbraw/zinc/80/37/75/968803775.db2.gz VJWBZYXAFWJWDP-UHFFFAOYSA-N 2 0 232.318 1.915 20 0 BDADRP C[N@H+](CCC1CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC001207487977 968804123 /nfs/dbraw/zinc/80/41/23/968804123.db2.gz ANIJVWLHWQZEPV-AWEZNQCLSA-N 2 0 240.391 1.829 20 0 BDADRP Cc1nc(N(C)C)cc(N[C@H]2CCC[C@H]([NH3+])C2)[nH+]1 ZINC001154977084 968828796 /nfs/dbraw/zinc/82/87/96/968828796.db2.gz MSYOQEOMOKVPJY-QWRGUYRKSA-N 2 0 249.362 1.533 20 0 BDADRP C[C@@H]1C[C@H](O)C[N@@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208105711 969000570 /nfs/dbraw/zinc/00/05/70/969000570.db2.gz BDHZMXJATPJLMR-NEPJUHHUSA-N 2 0 226.364 1.173 20 0 BDADRP C[NH+]1CCC(C)(C[N@@H+]2C[C@@H](F)C[C@H]2CO)CC1 ZINC001208108333 969001073 /nfs/dbraw/zinc/00/10/73/969001073.db2.gz SQWJRECOFDKQHP-RYUDHWBXSA-N 2 0 244.354 1.123 20 0 BDADRP C[C@H]1CC[C@@H](CO)[N@@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208107919 969001104 /nfs/dbraw/zinc/00/11/04/969001104.db2.gz NGANCAHFYZNHGR-STQMWFEESA-N 2 0 240.391 1.564 20 0 BDADRP C[C@@H]1C[N@H+](CC2(C)CC[NH+](C)CC2)CCCO1 ZINC001208105630 969001173 /nfs/dbraw/zinc/00/11/73/969001173.db2.gz APHWJDQPNVWYEA-CYBMUJFWSA-N 2 0 240.391 1.829 20 0 BDADRP C[NH+]1CCC(C)(C[N@@H+]2CCC[C@@H](CO)C2)CC1 ZINC001208105574 969002211 /nfs/dbraw/zinc/00/22/11/969002211.db2.gz YCUOUNHZBYJKST-CYBMUJFWSA-N 2 0 240.391 1.423 20 0 BDADRP CCO[C@@H]1CC[N@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208110385 969007338 /nfs/dbraw/zinc/00/73/38/969007338.db2.gz CCJGMAFRJXTXFW-CYBMUJFWSA-N 2 0 240.391 1.829 20 0 BDADRP CC[NH+](CC)C[C@@H](O)C[NH2+]C[C@@H]1CC[C@@H](F)C1 ZINC001253202081 969106457 /nfs/dbraw/zinc/10/64/57/969106457.db2.gz CUMQOSVRZYYXTF-UPJWGTAASA-N 2 0 246.370 1.417 20 0 BDADRP CCOC1C[NH+](CC2CC[NH+](CC)CC2)C1 ZINC001208593219 969148974 /nfs/dbraw/zinc/14/89/74/969148974.db2.gz QLVJTALJPCGESL-UHFFFAOYSA-N 2 0 226.364 1.439 20 0 BDADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C1CCC(F)CC1 ZINC001253384548 969149618 /nfs/dbraw/zinc/14/96/18/969149618.db2.gz YEFGGRXZGCPFKQ-MCIGGMRASA-N 2 0 246.370 1.606 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2C[C@@H]3C[C@@H]3C2)CC1 ZINC001208593434 969152610 /nfs/dbraw/zinc/15/26/10/969152610.db2.gz SDJRLVVERIIYHR-BETUJISGSA-N 2 0 208.349 1.670 20 0 BDADRP CCC[NH+]1CCN(C[C@H]2CCC[N@H+](C)C2)CC1 ZINC001208608072 969161882 /nfs/dbraw/zinc/16/18/82/969161882.db2.gz FOMWXBHLKWYDJO-AWEZNQCLSA-N 2 0 239.407 1.356 20 0 BDADRP C[C@@H]1CC[C@@H](C)C1[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253412836 969167414 /nfs/dbraw/zinc/16/74/14/969167414.db2.gz UJHYMOWOMCJTGE-UTUOFQBUSA-N 2 0 242.407 1.760 20 0 BDADRP C[C@@H]1CO[C@@H]2C[N@H+](C[C@H]3CCC[NH+](C)C3)C[C@H]12 ZINC001208618301 969178005 /nfs/dbraw/zinc/17/80/05/969178005.db2.gz WAWJUOOJXGQHOR-XJFOESAGSA-N 2 0 238.375 1.295 20 0 BDADRP [NH3+]CCN(c1cccnc1)c1ccnc(C[NH3+])c1 ZINC001168837338 969231637 /nfs/dbraw/zinc/23/16/37/969231637.db2.gz ZKEMXMGAHMPYIY-UHFFFAOYSA-N 2 0 243.314 1.032 20 0 BDADRP CC[N@H+]1C[C@@H]2C[NH+](C[C@@H]3CCC=CO3)C[C@@H]2C1 ZINC001208883887 969278054 /nfs/dbraw/zinc/27/80/54/969278054.db2.gz APNOEQOYDLJJCB-MJBXVCDLSA-N 2 0 236.359 1.563 20 0 BDADRP CC[N@H+]1C[C@@H]2C[NH+](C[C@H]3CCC=CO3)C[C@@H]2C1 ZINC001208883884 969279008 /nfs/dbraw/zinc/27/90/08/969279008.db2.gz APNOEQOYDLJJCB-HZSPNIEDSA-N 2 0 236.359 1.563 20 0 BDADRP Cc1cnc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cn1 ZINC001205996048 969324135 /nfs/dbraw/zinc/32/41/35/969324135.db2.gz UFPDFOBMSQATQY-DGCLKSJQSA-N 2 0 248.374 1.592 20 0 BDADRP CCc1cc(-n2nc(CC[NH3+])nc2C)cc[nH+]1 ZINC001168991845 969327790 /nfs/dbraw/zinc/32/77/90/969327790.db2.gz OBTXDRWCVAQUEB-UHFFFAOYSA-N 2 0 231.303 1.034 20 0 BDADRP Cc1cnc(C[NH3+])n1-c1cc[nH+]c(C2CC2)c1 ZINC001169030947 969353323 /nfs/dbraw/zinc/35/33/23/969353323.db2.gz QGGGFQXMMDTANN-UHFFFAOYSA-N 2 0 228.299 1.912 20 0 BDADRP CCc1cc(-n2c(C)cnc2C[NH3+])cc[nH+]1 ZINC001169030843 969354218 /nfs/dbraw/zinc/35/42/18/969354218.db2.gz NQWCIDAIQHHIQT-UHFFFAOYSA-N 2 0 216.288 1.597 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ncccc2N)CCC[C@H]1C[NH3+] ZINC001205996339 969364837 /nfs/dbraw/zinc/36/48/37/969364837.db2.gz WHLZSCXOBOQNTO-NEPJUHHUSA-N 2 0 248.374 1.471 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H]1C[C@H](F)C1)C2 ZINC001169097824 969392771 /nfs/dbraw/zinc/39/27/71/969392771.db2.gz CDHBPDUAAGGHOY-VJYNRISKSA-N 2 0 226.339 1.949 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1C[C@@H](F)C1)C2 ZINC001169098629 969393633 /nfs/dbraw/zinc/39/36/33/969393633.db2.gz KEAUYRUCIFTINA-NMZKHRHQSA-N 2 0 212.312 1.702 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc[nH]c(=O)c1)C2 ZINC001169099158 969394209 /nfs/dbraw/zinc/39/42/09/969394209.db2.gz OHXFURQORISAIS-XYYAHUGASA-N 2 0 247.342 1.502 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)C2 ZINC001169100972 969395383 /nfs/dbraw/zinc/39/53/83/969395383.db2.gz NGSDBUOYFWRUQX-QSLWVIQJSA-N 2 0 238.375 1.505 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](n1nccc1C[NH3+])C2 ZINC001169077866 969396144 /nfs/dbraw/zinc/39/61/44/969396144.db2.gz AVFRMBNICLJBQO-PEGIJTEDSA-N 2 0 220.320 1.140 20 0 BDADRP CCOC(=O)CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169078814 969396782 /nfs/dbraw/zinc/39/67/82/969396782.db2.gz HJZNGJSDFCOVAD-ZSBIGDGJSA-N 2 0 240.347 1.154 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCCCO)C2 ZINC001169080953 969402985 /nfs/dbraw/zinc/40/29/85/969402985.db2.gz NYQYASKAZPWTLW-XYYAHUGASA-N 2 0 226.364 1.364 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@@H](O)C1)C2 ZINC001169082308 969403034 /nfs/dbraw/zinc/40/30/34/969403034.db2.gz YOZYXSMGICOMPV-IEECTRCBSA-N 2 0 224.348 1.115 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CC=CC1)C2 ZINC001169090684 969406224 /nfs/dbraw/zinc/40/62/24/969406224.db2.gz KRTYYAJHJVSOEZ-CLLJXQQHSA-N 2 0 206.333 1.920 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1ccc(C[NH3+])cc1=N)C2 ZINC001169091185 969406392 /nfs/dbraw/zinc/40/63/92/969406392.db2.gz PAGDJAFXXUXADU-ITGUQSILSA-N 2 0 246.358 1.224 20 0 BDADRP C[NH+]1[C@@H]2CC[C@H]1C[C@H](NC[C@@H]1CCC[N@H+]1C)C2 ZINC001169090679 969406412 /nfs/dbraw/zinc/40/64/12/969406412.db2.gz KPVJYQLYUFYEDH-FQUUOJAGSA-N 2 0 237.391 1.295 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1ccc(C[NH3+])n1)C2 ZINC001169092086 969407788 /nfs/dbraw/zinc/40/77/88/969407788.db2.gz XCSIALHXOFQGCM-GDNZZTSVSA-N 2 0 220.320 1.140 20 0 BDADRP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)(C)O ZINC001169119412 969414744 /nfs/dbraw/zinc/41/47/44/969414744.db2.gz SVTNVVICCWNZIV-WISYIIOYSA-N 2 0 226.364 1.361 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@@](C)(CO)C1)C2 ZINC001169125413 969423868 /nfs/dbraw/zinc/42/38/68/969423868.db2.gz HZCMGCATGSANOX-XJFOESAGSA-N 2 0 238.375 1.316 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@H](O)CC1)C2 ZINC001169126331 969432155 /nfs/dbraw/zinc/43/21/55/969432155.db2.gz RWCSKXFQTIFRJO-CRWXNKLISA-N 2 0 238.375 1.458 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(CO)CC1)C2 ZINC001169131618 969435701 /nfs/dbraw/zinc/43/57/01/969435701.db2.gz WNHNXJJQFPIEBO-BTTYYORXSA-N 2 0 238.375 1.316 20 0 BDADRP C[C@@H](C[NH3+])CN(C)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169110522 969448042 /nfs/dbraw/zinc/44/80/42/969448042.db2.gz MANUGRIDDQCYCI-WUHRBBMRSA-N 2 0 225.380 1.138 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[NH+]3CCC1CC3)C2 ZINC001169147012 969465286 /nfs/dbraw/zinc/46/52/86/969465286.db2.gz REIPSRQQEKWZAH-FICVDOATSA-N 2 0 249.402 1.392 20 0 BDADRP C[NH+]1CCC(c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC001254063083 969470649 /nfs/dbraw/zinc/47/06/49/969470649.db2.gz LSYGUWMQIFKGIY-LBPRGKRZSA-N 2 0 249.362 1.012 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1C[C@H]3[C@H](CF)[C@H]3C1)C2 ZINC001169155366 969471903 /nfs/dbraw/zinc/47/19/03/969471903.db2.gz NURUYIUIRSNCQT-HQXUFTRPSA-N 2 0 238.350 1.759 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1C[C@H]3[C@H](CF)[C@H]3C1)C2 ZINC001169155367 969475613 /nfs/dbraw/zinc/47/56/13/969475613.db2.gz NURUYIUIRSNCQT-XUYNTYLMSA-N 2 0 238.350 1.759 20 0 BDADRP CO[C@H](C)C1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169154423 969476241 /nfs/dbraw/zinc/47/62/41/969476241.db2.gz QDGFDLRHOJEFRJ-ZZVYKPCYSA-N 2 0 238.375 1.578 20 0 BDADRP CC[NH+]1CCC(n2ccnc2[C@@H](C)[NH3+])CC1 ZINC001169219594 969490525 /nfs/dbraw/zinc/49/05/25/969490525.db2.gz GBZGQWXQDFBVMC-SNVBAGLBSA-N 2 0 222.336 1.560 20 0 BDADRP CCN1CCC([NH2+]C2(COC)CCC2)CC1 ZINC001169224258 969495088 /nfs/dbraw/zinc/49/50/88/969495088.db2.gz GUYIPTKTLGQUBV-UHFFFAOYSA-N 2 0 226.364 1.629 20 0 BDADRP C[C@@H]1C[C@@H]1C[N@@H+]1C[C@H]2CCCN(C)[C@H]2C1 ZINC001209433429 969502336 /nfs/dbraw/zinc/50/23/36/969502336.db2.gz UCGVEJVQCTVXIV-LPWJVIDDSA-N 2 0 208.349 1.668 20 0 BDADRP C[C@@H]([NH3+])c1ccn(-c2cccc3c2C[NH2+]CC3)n1 ZINC001169233045 969512589 /nfs/dbraw/zinc/51/25/89/969512589.db2.gz MLZYNTXMLZYRLP-SNVBAGLBSA-N 2 0 242.326 1.538 20 0 BDADRP C[C@H]([NH3+])c1ccn(-c2cccc3c2C[NH2+]CC3)n1 ZINC001169233044 969515118 /nfs/dbraw/zinc/51/51/18/969515118.db2.gz MLZYNTXMLZYRLP-JTQLQIEISA-N 2 0 242.326 1.538 20 0 BDADRP C[C@@H]([NH3+])c1ccn(-c2cccc3c2CC[C@H]3[NH3+])n1 ZINC001169235754 969524720 /nfs/dbraw/zinc/52/47/20/969524720.db2.gz ZMTXSCLWFTUIOV-BXKDBHETSA-N 2 0 242.326 1.838 20 0 BDADRP CCN(CC[NH+]1CCCC1)Cc1c[nH+]ccc1N ZINC001209735602 969598980 /nfs/dbraw/zinc/59/89/80/969598980.db2.gz XYTWWGKEPXARML-UHFFFAOYSA-N 2 0 248.374 1.412 20 0 BDADRP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+]([C@H]1CCCOC1)C2 ZINC001254388582 969609406 /nfs/dbraw/zinc/60/94/06/969609406.db2.gz FDARQYYJZAYSJU-FRRDWIJNSA-N 2 0 224.348 1.049 20 0 BDADRP Cc1nc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c[nH]1 ZINC001206011830 969634133 /nfs/dbraw/zinc/63/41/33/969634133.db2.gz GTFKVFVZHAJGTQ-JQWIXIFHSA-N 2 0 236.363 1.525 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+]CCN2CCCCO2)CC1 ZINC001254498276 969660172 /nfs/dbraw/zinc/66/01/72/969660172.db2.gz UNTQXPYTMSUEQU-CYBMUJFWSA-N 2 0 241.379 1.088 20 0 BDADRP C[N@@H+]1CCC[C@@H](N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001254499599 969660635 /nfs/dbraw/zinc/66/06/35/969660635.db2.gz KPLYMHLQZRLPHN-YNEHKIRRSA-N 2 0 225.380 1.330 20 0 BDADRP Cc1cnc(CC[NH2+][C@H]2CCC[N@@H+](C)CC2)nc1 ZINC001254497151 969663234 /nfs/dbraw/zinc/66/32/34/969663234.db2.gz GKJGGQURMNBLPE-ZDUSSCGKSA-N 2 0 248.374 1.401 20 0 BDADRP COC(=O)CCCC[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001254507790 969678308 /nfs/dbraw/zinc/67/83/08/969678308.db2.gz DXTWNHWAXAIYPS-LBPRGKRZSA-N 2 0 242.363 1.404 20 0 BDADRP C[C@@H]1C[N@@H+]([C@H]2CCC[NH+](C)CC2)CC[C@]1(C)O ZINC001254517358 969694860 /nfs/dbraw/zinc/69/48/60/969694860.db2.gz UXIGIIGPTNEAEO-RDBSUJKOSA-N 2 0 240.391 1.564 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH+]2CC[C@H]3OCC[C@H]32)CC1 ZINC001254519701 969699373 /nfs/dbraw/zinc/69/93/73/969699373.db2.gz KBWMCTUUHYLTEJ-JHJVBQTASA-N 2 0 224.348 1.334 20 0 BDADRP Cc1ccc(NCC[C@H]2CCC[NH2+]2)[nH+]c1N ZINC001169563234 969760405 /nfs/dbraw/zinc/76/04/05/969760405.db2.gz XUVBFRALRFDNMR-SNVBAGLBSA-N 2 0 220.320 1.526 20 0 BDADRP C[C@@H]([NH3+])c1ccn([C@H]2CC3CC[NH+](CC3)C2)n1 ZINC001254840594 969800968 /nfs/dbraw/zinc/80/09/68/969800968.db2.gz JXYBOPIYMKQBQQ-PWSUYJOCSA-N 2 0 234.347 1.560 20 0 BDADRP C[C@@H]1CN([C@H]2CC3CC[NH+](CC3)C2)CC[N@@H+]1C ZINC001254860307 969811747 /nfs/dbraw/zinc/81/17/47/969811747.db2.gz KNYJORMJLOAOOY-OCCSQVGLSA-N 2 0 237.391 1.107 20 0 BDADRP Cn1ccc2c1[nH+]ccc2-n1ccc(C[NH3+])c1 ZINC001169726454 969819324 /nfs/dbraw/zinc/81/93/24/969819324.db2.gz YZZRWYAHHQAPSV-UHFFFAOYSA-N 2 0 226.283 1.823 20 0 BDADRP CC1([NH3+])CC[NH+]([C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001254926796 969824643 /nfs/dbraw/zinc/82/46/43/969824643.db2.gz GVSRMJRUWBSQBK-GDNZZTSVSA-N 2 0 236.359 1.557 20 0 BDADRP C[NH+](C)/C=C/c1ccncc1-n1ccc(C[NH3+])c1 ZINC001169727316 969825852 /nfs/dbraw/zinc/82/58/52/969825852.db2.gz WDISIQLUMVYZMM-FNORWQNLSA-N 2 0 242.326 1.863 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCNC[C@@H]1c1ccccc1 ZINC001210196529 969828631 /nfs/dbraw/zinc/82/86/31/969828631.db2.gz OMESFAQALRDXMD-CQSZACIVSA-N 2 0 233.359 1.372 20 0 BDADRP C/C(=C\C=C\N)n1cc(CC[NH3+])c2ncccc21 ZINC001169711293 969829716 /nfs/dbraw/zinc/82/97/16/969829716.db2.gz VFXAGWXCQGNDAU-LWUHNEAVSA-N 2 0 242.326 1.871 20 0 BDADRP C[N@H+](CCO)CCC[NH2+]C1Cc2ccccc2C1 ZINC001255018840 969849483 /nfs/dbraw/zinc/84/94/83/969849483.db2.gz GRIWQJGSRDNQJP-UHFFFAOYSA-N 2 0 248.370 1.058 20 0 BDADRP CC[N@H+]1C[C@@H]2C[NH+](C3CCOCC3)C[C@@H]2C1 ZINC001255045156 969864553 /nfs/dbraw/zinc/86/45/53/969864553.db2.gz ATMNELBQTYGMGV-TXEJJXNPSA-N 2 0 224.348 1.049 20 0 BDADRP C[NH+]1CCC2(C[NH+](C3CCOCC3)C2)CC1 ZINC001255044485 969864632 /nfs/dbraw/zinc/86/46/32/969864632.db2.gz XJLFWORJFICDJA-UHFFFAOYSA-N 2 0 224.348 1.193 20 0 BDADRP Cc1nc(CN2CCC[C@@]3(CC[N@@H+](C)C3)C2)c[nH]1 ZINC001276682418 969868987 /nfs/dbraw/zinc/86/89/87/969868987.db2.gz MAXILIPUJJOGIR-AWEZNQCLSA-N 2 0 248.374 1.636 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+][C@H]1CCCC2(C1)OCCO2 ZINC001169935048 969884877 /nfs/dbraw/zinc/88/48/77/969884877.db2.gz HZZTZJCXIGNMIN-SDDRHHMPSA-N 2 0 240.347 1.142 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+][C@@H]1CCCC2(C1)OCCO2 ZINC001169935047 969885466 /nfs/dbraw/zinc/88/54/66/969885466.db2.gz HZZTZJCXIGNMIN-GRYCIOLGSA-N 2 0 240.347 1.142 20 0 BDADRP CC[N@H+]1C[C@@H]2C[NH+](C3CCSCC3)C[C@@H]2C1 ZINC001255096355 969930301 /nfs/dbraw/zinc/93/03/01/969930301.db2.gz MFVPEIFMLMICRS-TXEJJXNPSA-N 2 0 240.416 1.766 20 0 BDADRP [NH3+]CC1(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001255106009 969937456 /nfs/dbraw/zinc/93/74/56/969937456.db2.gz JRTWNQCGWHEZGU-CQSZACIVSA-N 2 0 245.370 1.342 20 0 BDADRP C[NH+](C)CC1CC[NH+]([C@H]2CCSC2)CC1 ZINC001255287282 970041696 /nfs/dbraw/zinc/04/16/96/970041696.db2.gz ULCJNGHAILVNLL-LBPRGKRZSA-N 2 0 228.405 1.766 20 0 BDADRP C[NH+]1CCC2(C[NH+]([C@H]3CCSC3)C2)CC1 ZINC001255294436 970052007 /nfs/dbraw/zinc/05/20/07/970052007.db2.gz OBBQZMUKUHVXGD-NSHDSACASA-N 2 0 226.389 1.520 20 0 BDADRP Cc1cncc(NC[C@H]2COCC[NH2+]2)c1C ZINC001170045069 970069894 /nfs/dbraw/zinc/06/98/94/970069894.db2.gz QOTVFMBUWMNISC-NSHDSACASA-N 2 0 221.304 1.099 20 0 BDADRP [NH2+]=C(NCCCC[NH3+])Nc1cc(Cl)ccn1 ZINC001157093875 970092171 /nfs/dbraw/zinc/09/21/71/970092171.db2.gz GTSYKKSWKTVGFT-UHFFFAOYSA-N 2 0 241.726 1.410 20 0 BDADRP CC(C)[NH+]1CCC(C[NH2+][C@H]2CCN(C)C2)CC1 ZINC001255412700 970132822 /nfs/dbraw/zinc/13/28/22/970132822.db2.gz UUTYIFMKJOGBAQ-AWEZNQCLSA-N 2 0 239.407 1.401 20 0 BDADRP C[N@@H+]1CC[C@H](n2ncc3c2cccc3C[NH3+])C1 ZINC001255417701 970138876 /nfs/dbraw/zinc/13/88/76/970138876.db2.gz OCVXJJZZFOQIQK-NSHDSACASA-N 2 0 230.315 1.372 20 0 BDADRP C[N@@H+]1CC[C@@H](n2nc(CC[NH3+])c3ccccc32)C1 ZINC001255417410 970140687 /nfs/dbraw/zinc/14/06/87/970140687.db2.gz MGVGFQSHUJZRFP-LLVKDONJSA-N 2 0 244.342 1.414 20 0 BDADRP CCN(CC[NH+]1CCCC1)[C@H]1CC[N@H+](C)C1 ZINC001255436056 970167121 /nfs/dbraw/zinc/16/71/21/970167121.db2.gz ONGMJKGYFMJUOR-ZDUSSCGKSA-N 2 0 225.380 1.108 20 0 BDADRP C[N@@H+]1CC[C@@H](N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC001255436114 970167336 /nfs/dbraw/zinc/16/73/36/970167336.db2.gz PCNFBMSLGUCKSK-KGLIPLIRSA-N 2 0 237.391 1.251 20 0 BDADRP CC[N@@H+]1CCN([C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001255443179 970175115 /nfs/dbraw/zinc/17/51/15/970175115.db2.gz KUCHPBRPRUSQBA-LBPRGKRZSA-N 2 0 225.380 1.107 20 0 BDADRP C[N@@H+]1CC[C@H](N2CC[NH+](C)CC23CCCC3)C1 ZINC001255443548 970177282 /nfs/dbraw/zinc/17/72/82/970177282.db2.gz PKUJUHLHOCBVIC-ZDUSSCGKSA-N 2 0 237.391 1.251 20 0 BDADRP C[N@H+](C1CC1)C1CCN([C@H]2CC[NH+](C)C2)CC1 ZINC001255445343 970180653 /nfs/dbraw/zinc/18/06/53/970180653.db2.gz UQFJJFOMCKXKPR-AWEZNQCLSA-N 2 0 237.391 1.249 20 0 BDADRP C[N@@H+]1CCC[C@@H](Nc2ccc(C[NH3+])nc2)C1 ZINC001255475859 970206382 /nfs/dbraw/zinc/20/63/82/970206382.db2.gz XCKRXRRFSVXLII-GFCCVEGCSA-N 2 0 220.320 1.046 20 0 BDADRP CC(C)(C)C1CCC([NH2+]C[C@H](O)C[NH3+])CC1 ZINC001255496565 970258765 /nfs/dbraw/zinc/25/87/65/970258765.db2.gz WRRLRUDEVUTBJE-HTAVTVPLSA-N 2 0 228.380 1.501 20 0 BDADRP CC[N@H+](C)C1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC001255495494 970261827 /nfs/dbraw/zinc/26/18/27/970261827.db2.gz QMELTKABHHALGL-AWEZNQCLSA-N 2 0 239.407 1.497 20 0 BDADRP C[C@@H]1CC[C@@H](NC(=[NH2+])NCCCC[NH3+])C1 ZINC001170104914 970302328 /nfs/dbraw/zinc/30/23/28/970302328.db2.gz OEMBRMFWUDLRMF-NXEZZACHSA-N 2 0 212.341 1.028 20 0 BDADRP COc1ccc(C2=CC[NH2+]C2)cc1C[NH+](C)C ZINC001243111537 970357983 /nfs/dbraw/zinc/35/79/83/970357983.db2.gz QVJJEAORASXOFE-UHFFFAOYSA-N 2 0 232.327 1.743 20 0 BDADRP C[C@H]1CC[C@H]([NH+]2CCN(CC[NH+](C)C)CC2)C1 ZINC001170125330 970372888 /nfs/dbraw/zinc/37/28/88/970372888.db2.gz KCERQARRUPJYGL-KBPBESRZSA-N 2 0 239.407 1.354 20 0 BDADRP Cc1cnc(C[NH3+])n1C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255668930 970448638 /nfs/dbraw/zinc/44/86/38/970448638.db2.gz PJGRCXMFRXVDBB-FUNVUKJBSA-N 2 0 248.374 1.838 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000690417071 970519081 /nfs/dbraw/zinc/51/90/81/970519081.db2.gz VVBGFWPGUSSILF-OLZOCXBDSA-N 2 0 226.364 1.474 20 0 BDADRP CSC[C@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000400072208 970548221 /nfs/dbraw/zinc/54/82/21/970548221.db2.gz HZDDYAZZVUXTIY-GRYCIOLGSA-N 2 0 228.405 1.669 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]CCSCC[NH3+])CCO1 ZINC001170181368 970558375 /nfs/dbraw/zinc/55/83/75/970558375.db2.gz HNTLWUFHDAFJEV-WDEREUQCSA-N 2 0 232.393 1.226 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]CC(C)(C)CO ZINC001255940522 970563711 /nfs/dbraw/zinc/56/37/11/970563711.db2.gz CWNLOIFKSYXFQO-LBPRGKRZSA-N 2 0 230.396 1.715 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]CCCOC ZINC001255939587 970570637 /nfs/dbraw/zinc/57/06/37/970570637.db2.gz HVEBDGHFFHMQRO-LBPRGKRZSA-N 2 0 216.369 1.733 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC001255940783 970571076 /nfs/dbraw/zinc/57/10/76/970571076.db2.gz GNEAUQMHUOSJLH-MGPQQGTHSA-N 2 0 242.407 2.000 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]CC1(C)COC1 ZINC001255939338 970572859 /nfs/dbraw/zinc/57/28/59/970572859.db2.gz BVLXDNPTYUMHSG-GFCCVEGCSA-N 2 0 228.380 1.733 20 0 BDADRP CC[C@@H](COC)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000400316691 970574216 /nfs/dbraw/zinc/57/42/16/970574216.db2.gz AEDNEPZRDPKTNY-JQWIXIFHSA-N 2 0 214.353 1.389 20 0 BDADRP C[C@H]([NH2+]Cc1cncs1)C1CC[NH2+]CC1 ZINC000400330431 970578803 /nfs/dbraw/zinc/57/88/03/970578803.db2.gz FTPRVQCLCTYKFA-VIFPVBQESA-N 2 0 225.361 1.621 20 0 BDADRP COC[C@@H](C)C[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000400345503 970581037 /nfs/dbraw/zinc/58/10/37/970581037.db2.gz KDNZXFRDUWWXSK-QWRGUYRKSA-N 2 0 214.353 1.247 20 0 BDADRP Cc1n[nH]cc1C[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000400434916 970589676 /nfs/dbraw/zinc/58/96/76/970589676.db2.gz MJBUPABXAANBOV-VIFPVBQESA-N 2 0 222.336 1.196 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCOC[C@H]1C)C1CC[NH2+]CC1 ZINC000400453528 970591046 /nfs/dbraw/zinc/59/10/46/970591046.db2.gz RSFOXFLACWGEJB-NQBHXWOUSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)C1CC[NH2+]CC1 ZINC000400453531 970591277 /nfs/dbraw/zinc/59/12/77/970591277.db2.gz RSFOXFLACWGEJB-NTZNESFSSA-N 2 0 226.364 1.389 20 0 BDADRP CC[C@H]1C[C@H]([N@H+](C)C2CCN(C)CC2)CCO1 ZINC001170202314 970596506 /nfs/dbraw/zinc/59/65/06/970596506.db2.gz GEAGPPZERLPWLO-KGLIPLIRSA-N 2 0 240.391 1.970 20 0 BDADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]CC(C)C ZINC001170235081 970609765 /nfs/dbraw/zinc/60/97/65/970609765.db2.gz XLMHGKFMRKSVSP-UHFFFAOYSA-N 2 0 243.395 1.080 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000400630450 970613035 /nfs/dbraw/zinc/61/30/35/970613035.db2.gz RKGMKALYWOSQSK-NWDGAFQWSA-N 2 0 212.337 1.084 20 0 BDADRP N=c1cc(C[NH3+])ccn1C1CC[NH+](C2CC2)CC1 ZINC001256067025 970632476 /nfs/dbraw/zinc/63/24/76/970632476.db2.gz FGYTYJLZUNIABJ-UHFFFAOYSA-N 2 0 246.358 1.226 20 0 BDADRP C1CC1[NH+]1CCC(N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC001256077127 970647071 /nfs/dbraw/zinc/64/70/71/970647071.db2.gz MMEKDJQPEHKTTE-OAHLLOKOSA-N 2 0 249.402 1.393 20 0 BDADRP CCC[NH+](CCC)CCNC1CC[NH+](C)CC1 ZINC001256195034 970688604 /nfs/dbraw/zinc/68/86/04/970688604.db2.gz WWIGJKSUGBYCPT-UHFFFAOYSA-N 2 0 241.423 1.792 20 0 BDADRP C[NH+]1CCC(Nc2ccc(CC[NH3+])cc2)CC1 ZINC001256194889 970690744 /nfs/dbraw/zinc/69/07/44/970690744.db2.gz RZVYIJVLKFUMRY-UHFFFAOYSA-N 2 0 233.359 1.694 20 0 BDADRP C[NH+]1CCC(n2c(C[NH3+])cc3ccncc32)CC1 ZINC001256198767 970693488 /nfs/dbraw/zinc/69/34/88/970693488.db2.gz ULDGECLEEMBDNJ-UHFFFAOYSA-N 2 0 244.342 1.762 20 0 BDADRP COC(C)(C)[C@H]1CCC[N@@H+]1C1CCN(C)CC1 ZINC001256207196 970708623 /nfs/dbraw/zinc/70/86/23/970708623.db2.gz BSLLPPLOJSMBKL-CYBMUJFWSA-N 2 0 240.391 1.970 20 0 BDADRP C[C@H]1[C@@H]([NH3+])CCCN1c1[nH+]ccc2[nH]ccc21 ZINC001157731950 970751409 /nfs/dbraw/zinc/75/14/09/970751409.db2.gz HMKUIPCTWNSELL-ONGXEEELSA-N 2 0 230.315 1.879 20 0 BDADRP CCCCC[C@H](CC)[N@@H+]1C[C@@H](N)C[C@H](O)C1 ZINC001246542463 972583769 /nfs/dbraw/zinc/58/37/69/972583769.db2.gz QOHAMCMTZCJSJN-AVGNSLFASA-N 2 0 228.380 1.739 20 0 BDADRP C[C@H](CC(F)(F)F)[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246543075 972589293 /nfs/dbraw/zinc/58/92/93/972589293.db2.gz SHZRELBHETYGSS-DJLDLDEBSA-N 2 0 224.270 1.854 20 0 BDADRP C[C@@H]([NH3+])CN1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222596071 972597098 /nfs/dbraw/zinc/59/70/98/972597098.db2.gz PKCUZBYJHPZBJU-TZMCWYRMSA-N 2 0 245.370 1.023 20 0 BDADRP C[C@H]1C[N@@H+]([C@@H]2COC(C)(C)C2)C[C@H]1C[NH3+] ZINC001246544318 972616487 /nfs/dbraw/zinc/61/64/87/972616487.db2.gz XRYRBHMYYFJMRS-AXFHLTTASA-N 2 0 212.337 1.081 20 0 BDADRP C[C@H]1CC[C@@H](C[NH3+])N1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001246546638 972645596 /nfs/dbraw/zinc/64/55/96/972645596.db2.gz NBVBBPXALHFJMR-PDWCTOEPSA-N 2 0 237.391 1.423 20 0 BDADRP C[C@H](Cc1ccncc1)[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246546843 972650201 /nfs/dbraw/zinc/65/02/01/972650201.db2.gz NKGJSTIHSGRWQH-TZMCWYRMSA-N 2 0 233.359 1.826 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CC[C@H](C)[C@](C)(O)CC2)CC[NH2+]1 ZINC001246552783 972738553 /nfs/dbraw/zinc/73/85/53/972738553.db2.gz VEVBGGIMLQNCJZ-REWJHTLYSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H](C)[C@](C)(O)CC2)CC[NH2+]1 ZINC001246552779 972738862 /nfs/dbraw/zinc/73/88/62/972738862.db2.gz VEVBGGIMLQNCJZ-AAVRWANBSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)CCO1 ZINC001246553615 972743751 /nfs/dbraw/zinc/74/37/51/972743751.db2.gz BNEOQQJGGNXRRC-OUAUKWLOSA-N 2 0 248.317 1.470 20 0 BDADRP CC1CCC([N@@H+]2CCCC[C@](O)(C[NH3+])C2)CC1 ZINC001246556843 972772651 /nfs/dbraw/zinc/77/26/51/972772651.db2.gz GONMVOVKPADCRK-RUXDESIVSA-N 2 0 240.391 1.741 20 0 BDADRP CC1CCC([N@@H+]2CCCC[C@@](O)(C[NH3+])C2)CC1 ZINC001246556838 972776252 /nfs/dbraw/zinc/77/62/52/972776252.db2.gz GONMVOVKPADCRK-JXQTWKCFSA-N 2 0 240.391 1.741 20 0 BDADRP C[C@@H]1CC[C@H](CN)[N@@H+]([C@H]2CCC3(C[NH2+]C3)C2)C1 ZINC001246558485 972779266 /nfs/dbraw/zinc/77/92/66/972779266.db2.gz QIMBFKPUARULJU-FRRDWIJNSA-N 2 0 237.391 1.188 20 0 BDADRP C[C@@H]1CCN([C@H]2CC[NH2+]C(C)(C)C2)C[C@@H]1[NH3+] ZINC001246569297 972828107 /nfs/dbraw/zinc/82/81/07/972828107.db2.gz OSYQKVXHIMBFQN-WOPDTQHZSA-N 2 0 225.380 1.186 20 0 BDADRP C[C@H]([NH3+])c1ccc(NCC(C)(C)[NH3+])cn1 ZINC001171195539 972851795 /nfs/dbraw/zinc/85/17/95/972851795.db2.gz WTIMIDSZTCYCQV-QMMMGPOBSA-N 2 0 208.309 1.251 20 0 BDADRP CCOCC[C@H](C)[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246581998 972941764 /nfs/dbraw/zinc/94/17/64/972941764.db2.gz LYSFVZJDJXJBQH-STQMWFEESA-N 2 0 228.380 1.862 20 0 BDADRP C[C@@H]1CC[C@H](N2C[C@@H](C[NH3+])CC[C@@H]2C)C[NH2+]1 ZINC001246587621 972976943 /nfs/dbraw/zinc/97/69/43/972976943.db2.gz HUCIJIYJAWAYTG-XQHKEYJVSA-N 2 0 225.380 1.186 20 0 BDADRP C[C@]1(C[NH3+])CCCC[N@@H+]([C@H]2CCSC2)C1 ZINC001246588006 972981047 /nfs/dbraw/zinc/98/10/47/972981047.db2.gz XLPXRXKDLLQNIL-NWDGAFQWSA-N 2 0 228.405 1.943 20 0 BDADRP CCCC[C@H]1C[C@@H](N2CCC23C[NH2+]C3)CC[NH2+]1 ZINC001246605438 973023571 /nfs/dbraw/zinc/02/35/71/973023571.db2.gz JMVAFZBWLXECMY-STQMWFEESA-N 2 0 237.391 1.345 20 0 BDADRP CCCC[C@@H](C)[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246612693 973031026 /nfs/dbraw/zinc/03/10/26/973031026.db2.gz CJBJXEPSPAYEOV-RDBSUJKOSA-N 2 0 239.407 1.591 20 0 BDADRP C[NH2+]CC[C@H](C)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001246609299 973031343 /nfs/dbraw/zinc/03/13/43/973031343.db2.gz MDEYIGRBUHEFTA-STQMWFEESA-N 2 0 225.380 1.060 20 0 BDADRP C1C[C@@H]2[C@H](CC[N@@H+]2C2CCC3(CC[NH2+]C3)CC2)[NH2+]1 ZINC001246636270 973047290 /nfs/dbraw/zinc/04/72/90/973047290.db2.gz UKTILOGBVFWTDO-RAFNIBEQSA-N 3 0 249.402 1.345 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCC3(C2)CC[NH2+]CC3)CC[NH2+]1 ZINC001246636039 973051311 /nfs/dbraw/zinc/05/13/11/973051311.db2.gz BPTRJDPOXZJPNK-OLZOCXBDSA-N 3 0 237.391 1.202 20 0 BDADRP CC[C@H]1C[C@H](N2C[C@H]3CCC[C@@]3([NH3+])C2)CC[NH2+]1 ZINC001246668618 973073121 /nfs/dbraw/zinc/07/31/21/973073121.db2.gz ZVNYGVMBQLWPFF-XJFOESAGSA-N 2 0 237.391 1.330 20 0 BDADRP CC[C@H]1CN(C2C[C@@H](C)[NH2+][C@H](C)C2)CC[NH2+]1 ZINC001246805327 973103438 /nfs/dbraw/zinc/10/34/38/973103438.db2.gz SVXLNUMCFGJKPF-UTUOFQBUSA-N 2 0 225.380 1.199 20 0 BDADRP CC1(C)C[C@H](N2CC[NH2+]C(C)(C)C2)CC[NH2+]1 ZINC001246817318 973110728 /nfs/dbraw/zinc/11/07/28/973110728.db2.gz RGHJVJGZOFXSAO-LLVKDONJSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@H]1CC[C@H](N2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)C[NH2+]1 ZINC001246810498 973112016 /nfs/dbraw/zinc/11/20/16/973112016.db2.gz WZCYFCKQILXWKC-WJTVCTBASA-N 2 0 223.364 1.081 20 0 BDADRP CC[C@H]1CC(N2C[C@@H]([NH3+])[C@@H](F)C2)C[C@H](CC)[NH2+]1 ZINC001246821617 973117635 /nfs/dbraw/zinc/11/76/35/973117635.db2.gz SYSWMJVBUCOKQH-XRRVDJEJSA-N 2 0 243.370 1.277 20 0 BDADRP C[C@H]1CC[C@@H](N(C)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246908966 973414271 /nfs/dbraw/zinc/41/42/71/973414271.db2.gz HJZCSSDMJKUFFH-ZDEQEGDKSA-N 2 0 225.380 1.329 20 0 BDADRP [NH3+]C[C@H]1CCCN1C1CC[NH+](CC2CC2)CC1 ZINC001246918858 973477258 /nfs/dbraw/zinc/47/72/58/973477258.db2.gz XTOMMYHHMFZBHK-CQSZACIVSA-N 2 0 237.391 1.284 20 0 BDADRP CC[C@]1(c2nc(C3([NH3+])CCC3)no2)CC[NH2+]C1 ZINC001329410746 973746103 /nfs/dbraw/zinc/74/61/03/973746103.db2.gz OTCQJBRQUICFLO-NSHDSACASA-N 2 0 236.319 1.049 20 0 BDADRP COC[C@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000234793109 973761414 /nfs/dbraw/zinc/76/14/14/973761414.db2.gz VTJRIAQGNDUQJL-STQMWFEESA-N 2 0 226.364 1.344 20 0 BDADRP CO[C@H]1CC[N@H+](CCCCCCC[NH3+])C1 ZINC000234798690 973764238 /nfs/dbraw/zinc/76/42/38/973764238.db2.gz QGWOGOLIECSWEY-LBPRGKRZSA-N 2 0 214.353 1.616 20 0 BDADRP CO[C@H]1CC[N@H+](CCCCCC[NH3+])C1 ZINC000234798792 973766244 /nfs/dbraw/zinc/76/62/44/973766244.db2.gz DUICZXQNVFNKIF-NSHDSACASA-N 2 0 200.326 1.226 20 0 BDADRP C1=C2[NH2+]CCN([C@@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@H]2CCC1 ZINC001246991239 973768923 /nfs/dbraw/zinc/76/89/23/973768923.db2.gz AAEIRGVWTFNPJV-XFMPKHEZSA-N 2 0 247.386 1.611 20 0 BDADRP CC[C@H](C(=O)NCC[C@@H](C)[NH2+]C)[NH+](CC)CC ZINC001329564184 973830087 /nfs/dbraw/zinc/83/00/87/973830087.db2.gz ILXFDFMDUKSQFD-VXGBXAGGSA-N 2 0 243.395 1.221 20 0 BDADRP C[NH+](C)Cc1cccc(NC[C@H]2CCCC[NH2+]2)n1 ZINC001171330515 973835541 /nfs/dbraw/zinc/83/55/41/973835541.db2.gz UVIZYXJMUKFNBS-GFCCVEGCSA-N 2 0 248.374 1.697 20 0 BDADRP CC[N@@H+]1CC[C@H](OC[C@@H]2CCCC[NH+]2C)C1 ZINC001224701895 973865464 /nfs/dbraw/zinc/86/54/64/973865464.db2.gz JBKBGANDWHEWBW-STQMWFEESA-N 2 0 226.364 1.582 20 0 BDADRP CN(OCC[NH3+])C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171623493 974120789 /nfs/dbraw/zinc/12/07/89/974120789.db2.gz ANTNTSPOACHXCS-UHFFFAOYSA-N 2 0 243.395 1.460 20 0 BDADRP [NH3+]CCCC[NH2+][C@H]1Cc2cccc(F)c2C1 ZINC001171776228 974158799 /nfs/dbraw/zinc/15/87/99/974158799.db2.gz RENDQDNCGAYAPA-NSHDSACASA-N 2 0 222.307 1.621 20 0 BDADRP [NH3+][C@@H]1CCCN([C@@H]2Cc3cccc(F)c3C2)C1 ZINC001171775128 974159224 /nfs/dbraw/zinc/15/92/24/974159224.db2.gz HWGUBCIGAFQXCD-VXGBXAGGSA-N 2 0 234.318 1.716 20 0 BDADRP N[C@@H]1CC[N@H+](C[C@H]2CCCCO2)CC[C@H]1F ZINC001206156938 974327872 /nfs/dbraw/zinc/32/78/72/974327872.db2.gz UOEICFQMQFIJQR-IJLUTSLNSA-N 2 0 230.327 1.317 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@H]1CCCO1)C2 ZINC001172098925 974336852 /nfs/dbraw/zinc/33/68/52/974336852.db2.gz DMEVEQNBQARPAG-XJFOESAGSA-N 2 0 238.375 1.770 20 0 BDADRP Cn1cc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cn1 ZINC001172099444 974337571 /nfs/dbraw/zinc/33/75/71/974337571.db2.gz HLWAKLYBNPZXDB-ZSOGYDGISA-N 2 0 248.374 1.525 20 0 BDADRP N[C@H]1CC[N@H+](CCC2CC[NH2+]CC2)CC[C@@H]1F ZINC001206156183 974340293 /nfs/dbraw/zinc/34/02/93/974340293.db2.gz OKWWGVFFGFRPEH-STQMWFEESA-N 2 0 243.370 1.137 20 0 BDADRP COCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172100292 974345291 /nfs/dbraw/zinc/34/52/91/974345291.db2.gz OQQBUOZHLAAILV-CLLJXQQHSA-N 2 0 226.364 1.628 20 0 BDADRP COC[C@@H]1CC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172130079 974353222 /nfs/dbraw/zinc/35/32/22/974353222.db2.gz HAGCLHZMQYZXSS-RFQIPJPRSA-N 2 0 238.375 1.722 20 0 BDADRP CC(C)N(CC[NH3+])[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172103507 974360657 /nfs/dbraw/zinc/36/06/57/974360657.db2.gz VQPPHUZBRDVNLV-BTTYYORXSA-N 2 0 239.407 1.671 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(F)COC1)C2 ZINC001172105123 974363978 /nfs/dbraw/zinc/36/39/78/974363978.db2.gz HBAHHNASOQUUKX-CNDDSTCGSA-N 2 0 242.338 1.330 20 0 BDADRP C[C@@H](C[NH+](C)C)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172103667 974366121 /nfs/dbraw/zinc/36/61/21/974366121.db2.gz WKQZYDKUPPMYIT-XDQVBPFNSA-N 2 0 239.407 1.541 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC[C@@H]([NH3+])C1)C2 ZINC001172107941 974369787 /nfs/dbraw/zinc/36/97/87/974369787.db2.gz LZODCYMUYVRLNO-MQYQWHSLSA-N 2 0 237.391 1.425 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[C@@H]([NH3+])C1)C2 ZINC001172103761 974370260 /nfs/dbraw/zinc/37/02/60/974370260.db2.gz XMLPJIYEGNAGHA-NDBYEHHHSA-N 2 0 223.364 1.035 20 0 BDADRP CN(CC[NH+](C)C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172112853 974375093 /nfs/dbraw/zinc/37/50/93/974375093.db2.gz GDORGGUSMUGHMX-WDNDVIMCSA-N 2 0 239.407 1.495 20 0 BDADRP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1C[C@@](C)(O)C1)C2 ZINC001172108826 974377439 /nfs/dbraw/zinc/37/74/39/974377439.db2.gz ZVQGZVJQMBKEEN-KLLCGCCRSA-N 2 0 238.375 1.505 20 0 BDADRP C[C@@H](CO)CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172118610 974378951 /nfs/dbraw/zinc/37/89/51/974378951.db2.gz SCVCQNCPAGDUEK-YIYPIFLZSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@H](C[NH3+])CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172113639 974380418 /nfs/dbraw/zinc/38/04/18/974380418.db2.gz DZVLTJTXYQIRTR-FVCCEPFGSA-N 2 0 225.380 1.186 20 0 BDADRP C[C@@H](C[NH3+])CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172113645 974383352 /nfs/dbraw/zinc/38/33/52/974383352.db2.gz DZVLTJTXYQIRTR-ZDEQEGDKSA-N 2 0 225.380 1.186 20 0 BDADRP CO[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172121417 974392314 /nfs/dbraw/zinc/39/23/14/974392314.db2.gz QBYHINBYAJUVRK-ZOBORPQBSA-N 2 0 238.375 1.722 20 0 BDADRP C[N@H+](C1CCC([NH3+])CC1)C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172230487 974470761 /nfs/dbraw/zinc/47/07/61/974470761.db2.gz FGTBRFAHTIUWIV-ZRRUAHMRSA-N 2 0 236.359 1.674 20 0 BDADRP COCCC[NH+]1CCC([NH2+]C2CC=CC2)CC1 ZINC001172244599 974509509 /nfs/dbraw/zinc/50/95/09/974509509.db2.gz VMVYJRPOMBLNLA-UHFFFAOYSA-N 2 0 238.375 1.796 20 0 BDADRP COCCC[NH+]1CCC([NH2+]C[C@H](C)OC)CC1 ZINC001172246773 974514764 /nfs/dbraw/zinc/51/47/64/974514764.db2.gz UAODQYSGFKQMDJ-LBPRGKRZSA-N 2 0 244.379 1.112 20 0 BDADRP COCCC[NH+]1CCC([NH2+][C@H]2C[C@@H](F)C2)CC1 ZINC001172247140 974515240 /nfs/dbraw/zinc/51/52/40/974515240.db2.gz GSVUJPIQULMVEE-BJHJDKERSA-N 2 0 244.354 1.577 20 0 BDADRP CC(C)([NH3+])CCNC(=O)c1ccc(C[NH3+])cc1 ZINC001330940446 974535357 /nfs/dbraw/zinc/53/53/57/974535357.db2.gz AOGGVPSCJYWYFJ-UHFFFAOYSA-N 2 0 235.331 1.003 20 0 BDADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NCCC(C)(C)[NH3+] ZINC001330951088 974540488 /nfs/dbraw/zinc/54/04/88/974540488.db2.gz DYJZHUHCCVKUJG-SNVBAGLBSA-N 2 0 243.395 1.240 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CCN(C)CC[NH3+])C[C@@H]1C ZINC001172364786 974639774 /nfs/dbraw/zinc/63/97/74/974639774.db2.gz AYNSMURTLGTCGF-FRRDWIJNSA-N 2 0 227.396 1.291 20 0 BDADRP CCOCC[C@@H](C)[NH2+]CCSCC[NH3+] ZINC001172413937 974680445 /nfs/dbraw/zinc/68/04/45/974680445.db2.gz DAMFZXCYBLRTLK-SNVBAGLBSA-N 2 0 220.382 1.083 20 0 BDADRP CCOCC[C@H](C)[NH2+]CCSCC[NH3+] ZINC001172413936 974680922 /nfs/dbraw/zinc/68/09/22/974680922.db2.gz DAMFZXCYBLRTLK-JTQLQIEISA-N 2 0 220.382 1.083 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+]CCc1ccc(F)cc1F ZINC001331417603 974712570 /nfs/dbraw/zinc/71/25/70/974712570.db2.gz CRILCDMPYYVYOF-SNVBAGLBSA-N 2 0 242.313 1.952 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+]C[C@H]1CCSC1 ZINC001331419846 974713264 /nfs/dbraw/zinc/71/32/64/974713264.db2.gz SUSNKQMPEKDSMN-NXEZZACHSA-N 2 0 202.367 1.327 20 0 BDADRP CC(C)OCC[C@@H](C)[NH2+]CCCC[NH3+] ZINC001172438747 974795185 /nfs/dbraw/zinc/79/51/85/974795185.db2.gz VSTQDFFYRKRFMH-LLVKDONJSA-N 2 0 202.342 1.519 20 0 BDADRP CC(C)COCC[C@@H](C)N1CCC[C@H]([NH3+])C1 ZINC001172459162 974823950 /nfs/dbraw/zinc/82/39/50/974823950.db2.gz FRCUDRDADHTHKB-OLZOCXBDSA-N 2 0 228.380 1.861 20 0 BDADRP C[C@H]1C[C@H]1NC(=[NH2+])NCCC1CC[NH+](C)CC1 ZINC001331901190 974856002 /nfs/dbraw/zinc/85/60/02/974856002.db2.gz KHFKQTJDIMWXNN-CMPLNLGQSA-N 2 0 238.379 1.241 20 0 BDADRP [NH3+]C[C@H](O)C[NH2+][C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172538189 974875702 /nfs/dbraw/zinc/87/57/02/974875702.db2.gz MNWPFKDTKVVVTD-ILXRZTDVSA-N 2 0 248.370 1.622 20 0 BDADRP [NH3+]C[C@@H](O)C[NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172538192 974875954 /nfs/dbraw/zinc/87/59/54/974875954.db2.gz MNWPFKDTKVVVTD-RBSFLKMASA-N 2 0 248.370 1.622 20 0 BDADRP CC(C)OC(=O)CC[C@H](C)[NH2+]C[C@@H](C)C[NH3+] ZINC001172746648 974921855 /nfs/dbraw/zinc/92/18/55/974921855.db2.gz RBIQEBZNDLZHRI-QWRGUYRKSA-N 2 0 230.352 1.291 20 0 BDADRP CC(C)OC(=O)CC[C@H](C)NC1(C[NH3+])CC1 ZINC001172754922 974929706 /nfs/dbraw/zinc/92/97/06/974929706.db2.gz ZRGOQLZIFNAPAN-JTQLQIEISA-N 2 0 228.336 1.188 20 0 BDADRP CC[NH+](CC)C1CCC([NH2+]C2(CO)CC2)CC1 ZINC001173101395 975022541 /nfs/dbraw/zinc/02/25/41/975022541.db2.gz IIFHWDXETIIEBG-UHFFFAOYSA-N 2 0 240.391 1.754 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)CCO1 ZINC001173168605 975060086 /nfs/dbraw/zinc/06/00/86/975060086.db2.gz QCSREBZNIGJZRA-BFHYXJOUSA-N 2 0 240.391 1.875 20 0 BDADRP C([C@H]1CCCC[NH2+]1)N1CCC2(CCC[NH2+]2)CC1 ZINC001226783885 975080398 /nfs/dbraw/zinc/08/03/98/975080398.db2.gz HSHZDZGUBFSVBK-CYBMUJFWSA-N 2 0 237.391 1.347 20 0 BDADRP CCCC[C@@H](CC(C)C)[NH2+]C[C@@H](O)C[NH3+] ZINC001173245551 975083780 /nfs/dbraw/zinc/08/37/80/975083780.db2.gz HRPMHMHOWYJYIQ-RYUDHWBXSA-N 2 0 216.369 1.501 20 0 BDADRP CC[C@@H]1CC[C@@H](NC(=[NH2+])SCC[NH3+])C1 ZINC001173267586 975136186 /nfs/dbraw/zinc/13/61/86/975136186.db2.gz SUKSOYWQWYVBJO-RKDXNWHRSA-N 2 0 215.366 1.781 20 0 BDADRP CC[C@H]1CC[C@@H]([NH2+]CCN(C)CC[NH3+])C1 ZINC001173274968 975155899 /nfs/dbraw/zinc/15/58/99/975155899.db2.gz RQYNFZJMHCZJEY-NWDGAFQWSA-N 2 0 213.369 1.045 20 0 BDADRP CC[C@@H]1CC[C@@H]([NH2+]CCC[N@H+](C)CCO)C1 ZINC001173275053 975155980 /nfs/dbraw/zinc/15/59/80/975155980.db2.gz LHACSQGTQWETAJ-CHWSQXEVSA-N 2 0 228.380 1.469 20 0 BDADRP CC[N@@H+]1CC[C@@H](n2cnc3ccc(C[NH3+])cc32)C1 ZINC001173349612 975292464 /nfs/dbraw/zinc/29/24/64/975292464.db2.gz BXJYWXUQPKQHFR-GFCCVEGCSA-N 2 0 244.342 1.762 20 0 BDADRP CC[N@@H+]1CC[C@H](n2ccc([C@H](C)[NH3+])n2)C1 ZINC001173350662 975295237 /nfs/dbraw/zinc/29/52/37/975295237.db2.gz OJBOLRFFKOORBP-UWVGGRQHSA-N 2 0 208.309 1.170 20 0 BDADRP CC[N@@H+]1CC[C@H](N2CC[C@@H]([NH3+])c3ccccc32)C1 ZINC001173355184 975309455 /nfs/dbraw/zinc/30/94/55/975309455.db2.gz NFFBWHXXBARXFI-GXTWGEPZSA-N 2 0 245.370 1.991 20 0 BDADRP CC[N@@H+]1CC[C@H](N(C)C2CC[NH+](C)CC2)C1 ZINC001173356355 975314516 /nfs/dbraw/zinc/31/45/16/975314516.db2.gz HDZDQVUFPCBWLM-ZDUSSCGKSA-N 2 0 225.380 1.107 20 0 BDADRP CCN1CC[C@H]([N@@H+]2C[C@H]3CCCN(C)[C@H]3C2)C1 ZINC001173366731 975350894 /nfs/dbraw/zinc/35/08/94/975350894.db2.gz BJNDDSFNIKZKRU-RDBSUJKOSA-N 2 0 237.391 1.107 20 0 BDADRP CC[N@@H+]1CC[C@H](n2ccc3c2CC[NH2+]C3)C1 ZINC001173366981 975351055 /nfs/dbraw/zinc/35/10/55/975351055.db2.gz CUTIXAZJYQNVOE-LBPRGKRZSA-N 2 0 219.332 1.401 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]C1Cc2cc(F)c(F)cc2C1 ZINC001173476726 975381993 /nfs/dbraw/zinc/38/19/93/975381993.db2.gz TUEWSEDIGFHGPR-MRVPVSSYSA-N 2 0 240.297 1.616 20 0 BDADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH3+] ZINC001333319910 975657869 /nfs/dbraw/zinc/65/78/69/975657869.db2.gz KQFGRRBLDSSGSB-NWDGAFQWSA-N 2 0 241.379 1.104 20 0 BDADRP C[N@@H+]1C[C@@H]2CN(CCOCC3CC3)C[C@]2(C)C1 ZINC001333388756 975740524 /nfs/dbraw/zinc/74/05/24/975740524.db2.gz NHQGAWBZCFVGSL-KGLIPLIRSA-N 2 0 238.375 1.297 20 0 BDADRP CCC1([NH+]2CCC2)CCN(C[C@@H](C)[NH3+])CC1 ZINC001333474982 975805659 /nfs/dbraw/zinc/80/56/59/975805659.db2.gz VVHITWNONGEULD-GFCCVEGCSA-N 2 0 225.380 1.284 20 0 BDADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)C1 ZINC001333528895 975830979 /nfs/dbraw/zinc/83/09/79/975830979.db2.gz IJPFJOAOXPKNNF-NDKCEZKHSA-N 2 0 238.375 1.349 20 0 BDADRP CCOC(=O)C[C@@H]1CCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC001335284603 976924428 /nfs/dbraw/zinc/92/44/28/976924428.db2.gz FEYZDKLFTDVNNM-TUAOUCFPSA-N 2 0 240.347 1.141 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cccc3c[nH]nc32)C[C@H]1C[NH3+] ZINC001336119316 977516592 /nfs/dbraw/zinc/51/65/92/977516592.db2.gz PNVWLUGGPYCFPV-ZWNOBZJWSA-N 2 0 244.342 1.590 20 0 BDADRP CO[C@@H]1CC[C@@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC001336261763 977604528 /nfs/dbraw/zinc/60/45/28/977604528.db2.gz IDJYLLOEGULIPM-FRRDWIJNSA-N 2 0 240.391 1.922 20 0 BDADRP CC[NH+](CC)[C@H](C)CNc1nccnc1C[NH3+] ZINC001336621788 977817459 /nfs/dbraw/zinc/81/74/59/977817459.db2.gz DODURDANUVWTKM-SNVBAGLBSA-N 2 0 237.351 1.078 20 0 BDADRP C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232011024 977841770 /nfs/dbraw/zinc/84/17/70/977841770.db2.gz GMNPPTJTAZBUSZ-ZWNOBZJWSA-N 2 0 245.326 1.908 20 0 BDADRP C[C@@H]1CN(Cc2cc3c[nH+]ccc3[nH]2)CC[N@@H+]1C ZINC001232015403 977844463 /nfs/dbraw/zinc/84/44/63/977844463.db2.gz GWGCNIFXNDSNNT-LLVKDONJSA-N 2 0 244.342 1.699 20 0 BDADRP c1c2c[nH+]ccc2[nH]c1CN1CC[N@@H+]2CC[C@H]2C1 ZINC001232018422 977846473 /nfs/dbraw/zinc/84/64/73/977846473.db2.gz KYNJRAAUEHXMDA-ZDUSSCGKSA-N 2 0 242.326 1.453 20 0 BDADRP C[C@H](O)[C@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001176281682 978009297 /nfs/dbraw/zinc/00/92/97/978009297.db2.gz ONYITLPOOFENAP-AVGNSLFASA-N 2 0 249.358 1.361 20 0 BDADRP C[NH+]1CCN(c2ccc(C[NH+]3CCC3)cn2)CC1 ZINC001232359381 978039024 /nfs/dbraw/zinc/03/90/24/978039024.db2.gz GGKDWFYOYYTZOO-UHFFFAOYSA-N 2 0 246.358 1.039 20 0 BDADRP C[NH+](C)CCOC1CCN(c2cc[nH+]cc2)CC1 ZINC001206279179 978151020 /nfs/dbraw/zinc/15/10/20/978151020.db2.gz ZBHITLWSEKKGEW-UHFFFAOYSA-N 2 0 249.358 1.629 20 0 BDADRP Cc1[nH+]cn(-c2cccnc2N2CCCC2)c1N ZINC001176749946 978168834 /nfs/dbraw/zinc/16/88/34/978168834.db2.gz OUKQKBGWSSSUJB-UHFFFAOYSA-N 2 0 243.314 1.758 20 0 BDADRP COCC[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206296917 978308685 /nfs/dbraw/zinc/30/86/85/978308685.db2.gz VKQBXKRXSXTWRH-LLVKDONJSA-N 2 0 200.326 1.084 20 0 BDADRP COCCC[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206296925 978308791 /nfs/dbraw/zinc/30/87/91/978308791.db2.gz VLZPBBMBLJFPHC-GFCCVEGCSA-N 2 0 214.353 1.474 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cnoc2)CC1 ZINC001206305441 978387082 /nfs/dbraw/zinc/38/70/82/978387082.db2.gz ZLIWGCOEPHOTNL-GFCCVEGCSA-N 2 0 223.320 1.626 20 0 BDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC001177698535 978420966 /nfs/dbraw/zinc/42/09/66/978420966.db2.gz XBKLIICKYKTEEV-HZSPNIEDSA-N 2 0 239.407 1.401 20 0 BDADRP C[NH+](C)C[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC001337707738 978467944 /nfs/dbraw/zinc/46/79/44/978467944.db2.gz PYEUQPJWSWHNPA-LLVKDONJSA-N 2 0 205.305 1.470 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC001337852296 978526047 /nfs/dbraw/zinc/52/60/47/978526047.db2.gz ZYURWBDYYJVOST-MDZLAQPJSA-N 2 0 241.379 1.138 20 0 BDADRP CC[C@@H](C)[NH+]1CC2(CCN2CCn2ccnc2)C1 ZINC001277807018 978695055 /nfs/dbraw/zinc/69/50/55/978695055.db2.gz KFEXQOUOILNNAE-CYBMUJFWSA-N 2 0 248.374 1.442 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]CCCC[NH3+])CCO1 ZINC000069863242 978765305 /nfs/dbraw/zinc/76/53/05/978765305.db2.gz BUKZSAQFYVCFJN-WDEREUQCSA-N 2 0 200.326 1.273 20 0 BDADRP CC[NH+](CC)CC(=O)NC(C)(C)CC[NH+](C)C ZINC001180391096 978873398 /nfs/dbraw/zinc/87/33/98/978873398.db2.gz NNLNCTHFVKTBTQ-UHFFFAOYSA-N 2 0 243.395 1.175 20 0 BDADRP [NH3+][C@H](CN1CC[NH2+]CC12CC2)c1ccccc1 ZINC001234976175 978938504 /nfs/dbraw/zinc/93/85/04/978938504.db2.gz RAVVKKBKLHTARD-CYBMUJFWSA-N 2 0 231.343 1.124 20 0 BDADRP [NH3+][C@H](CN1CC[C@@H]2CC[NH2+][C@@H]2C1)c1ccccc1 ZINC001235018672 978955010 /nfs/dbraw/zinc/95/50/10/978955010.db2.gz RUXWZRFSLLARHR-RRFJBIMHSA-N 2 0 245.370 1.370 20 0 BDADRP c1cc(CN2CC[C@@H]3[NH2+]CC[C@H]32)cc2c1C[NH2+]C2 ZINC001235048565 978962953 /nfs/dbraw/zinc/96/29/53/978962953.db2.gz IUGNDZDAEOLOPS-LSDHHAIUSA-N 2 0 243.354 1.226 20 0 BDADRP C[C@H]([NH3+])CN1CCC2(CC(F)C2)CC1 ZINC001235135884 978982152 /nfs/dbraw/zinc/98/21/52/978982152.db2.gz QWDBFQHTFSQAII-VIFPVBQESA-N 2 0 200.301 1.548 20 0 BDADRP C(C[N@@H+]1CCCC[C@@]12CCC[NH2+]C2)C1C[NH2+]C1 ZINC001235174709 978989866 /nfs/dbraw/zinc/98/98/66/978989866.db2.gz VDZFAPUWVSZLEY-AWEZNQCLSA-N 3 0 237.391 1.204 20 0 BDADRP C[C@@H]1C[C@H](NC(=O)C[C@H]([NH3+])C(C)(C)C)CC[NH2+]1 ZINC001340280782 979002865 /nfs/dbraw/zinc/00/28/65/979002865.db2.gz CYQRKKDJISQZFU-MXWKQRLJSA-N 2 0 241.379 1.007 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccc(CC[NH3+])cc1 ZINC001340401973 979018843 /nfs/dbraw/zinc/01/88/43/979018843.db2.gz UPIXCXHRWQBNFB-QWRGUYRKSA-N 2 0 249.358 1.043 20 0 BDADRP [NH3+][C@@H]1C[C@@H](F)CN(Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC001206445359 979022583 /nfs/dbraw/zinc/02/25/83/979022583.db2.gz ONOSAXACCYJJJN-ZIAGYGMSSA-N 2 0 249.333 1.161 20 0 BDADRP [NH3+]CCN1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235377875 979032933 /nfs/dbraw/zinc/03/29/33/979032933.db2.gz FLFBRTAHRQRADW-CABCVRRESA-N 2 0 245.370 1.024 20 0 BDADRP C[C@@H]1C[NH2+][C@@H](C)CN1C[C@@H]([NH3+])c1ccccc1 ZINC001235442560 979047350 /nfs/dbraw/zinc/04/73/50/979047350.db2.gz YHXLKVXBVNFJCM-OUCADQQQSA-N 2 0 233.359 1.369 20 0 BDADRP CC(C)[C@@H]1CNCC[N@@H+]1CC1(C)CC[NH2+]CC1 ZINC001235453109 979048824 /nfs/dbraw/zinc/04/88/24/979048824.db2.gz SZMQPYMFYCHACB-ZDUSSCGKSA-N 2 0 239.407 1.306 20 0 BDADRP CC(C)[C@@H]1C[N@H+](CC2(C)CC[NH2+]CC2)CCN1 ZINC001235474784 979051392 /nfs/dbraw/zinc/05/13/92/979051392.db2.gz YVBTXGBPSRORAY-ZDUSSCGKSA-N 2 0 239.407 1.306 20 0 BDADRP CC[N@H+](CCCC[NH3+])C1CCN(C)CC1 ZINC001235676696 979116108 /nfs/dbraw/zinc/11/61/08/979116108.db2.gz DDAVPHASSKJJDI-UHFFFAOYSA-N 2 0 213.369 1.141 20 0 BDADRP [NH3+]CCCC[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC001235691634 979122951 /nfs/dbraw/zinc/12/29/51/979122951.db2.gz LNGNYXVUBAKNME-CYBMUJFWSA-N 2 0 235.331 1.274 20 0 BDADRP C[NH2+][C@@]12CC[C@@]([NH2+]CC(C)(C)CO)(C1)CCC2 ZINC001277963623 979127441 /nfs/dbraw/zinc/12/74/41/979127441.db2.gz NXEUBQBYACEMBZ-UONOGXRCSA-N 2 0 240.391 1.659 20 0 BDADRP C[C@H]([NH3+])CN1CCC(C2CC[NH2+]CC2)CC1 ZINC001235702110 979130913 /nfs/dbraw/zinc/13/09/13/979130913.db2.gz JKXCWXVRBUOBIR-NSHDSACASA-N 2 0 225.380 1.045 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001235726572 979136125 /nfs/dbraw/zinc/13/61/25/979136125.db2.gz TYHOOHHRAZWLGZ-CYBMUJFWSA-N 2 0 233.359 2.000 20 0 BDADRP [NH3+]CCCC(=O)N1C[C@@H](CC[NH3+])c2ccccc21 ZINC001340899156 979146922 /nfs/dbraw/zinc/14/69/22/979146922.db2.gz BDMKCHQWPAKGAS-LLVKDONJSA-N 2 0 247.342 1.205 20 0 BDADRP COC(C)(C)[C@@H]1CCC[N@@H+]1C[C@H](C)[NH3+] ZINC001235827841 979151839 /nfs/dbraw/zinc/15/18/39/979151839.db2.gz RCPBRFOTBHPJSM-UWVGGRQHSA-N 2 0 200.326 1.223 20 0 BDADRP CC1(C)C[NH2+]CCN1Cc1ccc2c(c1)C[NH2+]C2 ZINC001235826811 979164305 /nfs/dbraw/zinc/16/43/05/979164305.db2.gz CJMXOQWWUVBCQA-UHFFFAOYSA-N 2 0 245.370 1.474 20 0 BDADRP C[C@H](c1ccccc1)[NH+]1CCN(C[C@H](C)[NH3+])CC1 ZINC001235863575 979174445 /nfs/dbraw/zinc/17/44/45/979174445.db2.gz FUFJUSNODXNXBO-UONOGXRCSA-N 2 0 247.386 1.712 20 0 BDADRP CC(C)(C)c1cccc(CN(CC[NH3+])CC[NH3+])c1 ZINC001235878274 979177431 /nfs/dbraw/zinc/17/74/31/979177431.db2.gz WLXVTBXHHHINAX-UHFFFAOYSA-N 2 0 249.402 1.704 20 0 BDADRP [NH3+]CCN(CC[NH3+])Cc1cc2ccccc2s1 ZINC001235878077 979177514 /nfs/dbraw/zinc/17/75/14/979177514.db2.gz ZIVXEQWUWMYWMQ-UHFFFAOYSA-N 2 0 249.383 1.621 20 0 BDADRP COC(=O)[C@]1(C)CCC[N@H+](CCCC[NH3+])C1 ZINC001235887092 979181661 /nfs/dbraw/zinc/18/16/61/979181661.db2.gz GXNCCVDSWWFCLD-GFCCVEGCSA-N 2 0 228.336 1.000 20 0 BDADRP [NH3+]CC[C@@H]1CCCN1C[C@@H]([NH3+])c1ccccc1 ZINC001235925037 979209064 /nfs/dbraw/zinc/20/90/64/979209064.db2.gz GZCANKCHFFZLHS-UONOGXRCSA-N 2 0 233.359 1.500 20 0 BDADRP [NH3+]CCCC[NH+]1CC(c2cccnc2)C1 ZINC001235958522 979219091 /nfs/dbraw/zinc/21/90/91/979219091.db2.gz HBTROBQNGFYIQH-UHFFFAOYSA-N 2 0 205.305 1.220 20 0 BDADRP CC(C)[N@H+](CCN)CC[C@H]1CCC[NH2+]C1 ZINC001235948119 979219968 /nfs/dbraw/zinc/21/99/68/979219968.db2.gz JUFZHKOMDOMETK-GFCCVEGCSA-N 2 0 213.369 1.045 20 0 BDADRP [NH3+][C@@H]1[C@@H]2CC[C@H]1CN(CC[C@@H]1CCCC[NH2+]1)C2 ZINC001235958526 979228081 /nfs/dbraw/zinc/22/80/81/979228081.db2.gz HEBJUKSKHGBWQK-CRWXNKLISA-N 2 0 237.391 1.188 20 0 BDADRP C[C@@H]([NH3+])CN1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001235972934 979242369 /nfs/dbraw/zinc/24/23/69/979242369.db2.gz ISJPKKPXMWZVBZ-HZSPNIEDSA-N 2 0 239.407 1.672 20 0 BDADRP CC1(C)C[C@H](C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)CCO1 ZINC001235977324 979243444 /nfs/dbraw/zinc/24/34/44/979243444.db2.gz GNBDFIITDLRFLJ-MBNYWOFBSA-N 2 0 238.375 1.615 20 0 BDADRP [NH3+][C@]12CC[C@H]1C[N@H+](CCC1CCOCC1)C2 ZINC001235978175 979254072 /nfs/dbraw/zinc/25/40/72/979254072.db2.gz JAUWTTRUQSGYHU-STQMWFEESA-N 2 0 224.348 1.226 20 0 BDADRP Cc1ccccc1CN1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235981365 979257538 /nfs/dbraw/zinc/25/75/38/979257538.db2.gz QFESPVRJCRGZSI-KGLIPLIRSA-N 2 0 216.328 1.918 20 0 BDADRP CCCCC[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235994649 979287719 /nfs/dbraw/zinc/28/77/19/979287719.db2.gz UBWPDKONDLBDQL-FOSCPWQOSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CN(C[C@@H]([NH3+])c2ccccc2)C1 ZINC001236044499 979336259 /nfs/dbraw/zinc/33/62/59/979336259.db2.gz MVFMGHQQWBNBMN-KWCYVHTRSA-N 2 0 233.359 1.356 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CN(Cc2ccc(C[NH3+])cc2)C1 ZINC001236052145 979344260 /nfs/dbraw/zinc/34/42/60/979344260.db2.gz ZXTWGZQRGUKMBM-RISCZKNCSA-N 2 0 233.359 1.314 20 0 BDADRP CS[C@@H](C)CCN(C)C[C@@H]1CCC[NH2+]1 ZINC001236116988 979394657 /nfs/dbraw/zinc/39/46/57/979394657.db2.gz SADXLXUCCOZIOS-QWRGUYRKSA-N 2 0 216.394 1.812 20 0 BDADRP CCCC[C@@H]1CN(CCC2C[NH2+]C2)CC[NH2+]1 ZINC001236134852 979403226 /nfs/dbraw/zinc/40/32/26/979403226.db2.gz IAOKFIHUTZJPMD-CYBMUJFWSA-N 2 0 225.380 1.060 20 0 BDADRP CCN(CCC[NH2+]C1CCCCC1)CC[NH2+]C ZINC001236144970 979412758 /nfs/dbraw/zinc/41/27/58/979412758.db2.gz VJRTZBSBCPBCII-UHFFFAOYSA-N 2 0 241.423 1.840 20 0 BDADRP CCC[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCN1 ZINC001236177027 979436205 /nfs/dbraw/zinc/43/62/05/979436205.db2.gz PXZMPJOJCPZDAW-ZDUSSCGKSA-N 2 0 225.380 1.060 20 0 BDADRP CCC[C@H]1CN(CCCCCC[NH3+])CC[NH2+]1 ZINC001236176915 979436990 /nfs/dbraw/zinc/43/69/90/979436990.db2.gz PGEBETLOWQADCB-ZDUSSCGKSA-N 2 0 227.396 1.579 20 0 BDADRP CCCN(CC[NH2+]CC)C1CC[NH2+]CC1 ZINC001236181173 979438704 /nfs/dbraw/zinc/43/87/04/979438704.db2.gz VMNYWNNNEUVOTK-UHFFFAOYSA-N 2 0 213.369 1.060 20 0 BDADRP C[N@H+](CCCCCC[NH3+])[C@@H]1CCCC[C@H]1N ZINC001236211427 979448053 /nfs/dbraw/zinc/44/80/53/979448053.db2.gz HZGDQGGDRATNHY-CHWSQXEVSA-N 2 0 227.396 1.707 20 0 BDADRP CN(CC[C@@H]1CCCC[NH2+]1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236210326 979448252 /nfs/dbraw/zinc/44/82/52/979448252.db2.gz BJORBPSOAGHCBS-BFHYXJOUSA-N 2 0 239.407 1.720 20 0 BDADRP C[NH+](C)CC1(CN2CCC[C@@H]2C[NH3+])CCCC1 ZINC001236244829 979461703 /nfs/dbraw/zinc/46/17/03/979461703.db2.gz NUBDCCYUIYABHX-CYBMUJFWSA-N 2 0 239.407 1.532 20 0 BDADRP CC[NH2+][C@@H](C)C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001341622561 979493201 /nfs/dbraw/zinc/49/32/01/979493201.db2.gz KIFKFNWDPLEPMG-VIFPVBQESA-N 2 0 233.315 1.226 20 0 BDADRP Cc1noc(C)c1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314275 979523596 /nfs/dbraw/zinc/52/35/96/979523596.db2.gz ANMNPAJQAUTOHK-BETUJISGSA-N 2 0 249.358 1.723 20 0 BDADRP CC(C)=CCC[C@@H](C)C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206506836 979530934 /nfs/dbraw/zinc/53/09/34/979530934.db2.gz SDQXYULQSIYACY-RDBSUJKOSA-N 2 0 240.391 1.620 20 0 BDADRP CC[C@@H](C)C[C@@H]([NH3+])C(=O)NC1(C)CC[NH2+]CC1 ZINC001341766307 979552569 /nfs/dbraw/zinc/55/25/69/979552569.db2.gz NOXHDGSLFHVKNN-GHMZBOCLSA-N 2 0 241.379 1.008 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)CC(C)(C)C[NH3+])cc1 ZINC001341779625 979558389 /nfs/dbraw/zinc/55/83/89/979558389.db2.gz YOTPLUPBJIIXIX-UHFFFAOYSA-N 2 0 249.358 1.720 20 0 BDADRP [NH3+]CCN(C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236372668 979572855 /nfs/dbraw/zinc/57/28/55/979572855.db2.gz SAHZJANPUDVUMF-GFCCVEGCSA-N 2 0 225.380 1.189 20 0 BDADRP C[C@H]1[C@@H]([NH3+])CCCN1C[C@H]([NH3+])Cc1ccccc1 ZINC001236417025 979593335 /nfs/dbraw/zinc/59/33/35/979593335.db2.gz WKFXWHNNJINALW-CFVMTHIKSA-N 2 0 247.386 1.368 20 0 BDADRP C(C1CC2(C1)CC[NH2+]CC2)N1C[C@@H]2CC[C@H]1C[NH2+]2 ZINC001236424518 979597595 /nfs/dbraw/zinc/59/75/95/979597595.db2.gz KQHZOLKZPNUSCP-KBPBESRZSA-N 2 0 249.402 1.202 20 0 BDADRP CC(C)(C)CN(C[C@H]1CC[NH2+]1)C1CC[NH2+]CC1 ZINC001236457361 979600600 /nfs/dbraw/zinc/60/06/00/979600600.db2.gz KGFPIQVCYIZHOP-GFCCVEGCSA-N 2 0 239.407 1.448 20 0 BDADRP CC(C)CN(C[C@H](C)[NH3+])[C@@H]1CCC[NH2+]C1 ZINC001236475792 979603127 /nfs/dbraw/zinc/60/31/27/979603127.db2.gz YTJRBBABXSQRCI-NWDGAFQWSA-N 2 0 213.369 1.044 20 0 BDADRP CC[NH2+]CCN(C(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236468781 979603966 /nfs/dbraw/zinc/60/39/66/979603966.db2.gz MNFUTFQWRRBXCA-GFCCVEGCSA-N 2 0 213.369 1.058 20 0 BDADRP CC(C)N(CC[C@@H]1CCCC[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC001236529002 979622000 /nfs/dbraw/zinc/62/20/00/979622000.db2.gz UYSKGBMPWUNUEW-UONOGXRCSA-N 2 0 239.407 1.591 20 0 BDADRP [NH3+]Cc1cccc(CN(C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC001236528966 979622827 /nfs/dbraw/zinc/62/28/27/979622827.db2.gz NAFASLPAPZEIPK-OAHLLOKOSA-N 2 0 245.370 1.472 20 0 BDADRP C[C@@H](N)C[N@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551681 979633736 /nfs/dbraw/zinc/63/37/36/979633736.db2.gz KTMKMQZTEUGTMH-RAIGVLPGSA-N 2 0 225.380 1.316 20 0 BDADRP [NH3+]CCCC[N@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236553179 979634249 /nfs/dbraw/zinc/63/42/49/979634249.db2.gz UIOJADJCXMTVMO-HDJSIYSDSA-N 3 0 239.407 1.707 20 0 BDADRP [NH3+]CCCCN([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236645888 979685887 /nfs/dbraw/zinc/68/58/87/979685887.db2.gz CAVGPKDLEZNFIA-AWEZNQCLSA-N 2 0 239.407 1.722 20 0 BDADRP CCCCCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH3+])C1 ZINC001342169669 979688719 /nfs/dbraw/zinc/68/87/19/979688719.db2.gz AZWVLHLQXZHAGV-TXEJJXNPSA-N 2 0 241.379 1.104 20 0 BDADRP Cc1cnccc1O[C@H]1CC[N@H+](CCCO)C1 ZINC001236663376 979689037 /nfs/dbraw/zinc/68/90/37/979689037.db2.gz KKNHHEOWKYJCHO-LBPRGKRZSA-N 2 0 236.315 1.226 20 0 BDADRP C[C@]1(C[NH3+])CCCC[N@H+](Cc2ccnc(N)c2)C1 ZINC001206556237 979719229 /nfs/dbraw/zinc/71/92/29/979719229.db2.gz PEQSKJNZHMUYDD-CQSZACIVSA-N 2 0 248.374 1.615 20 0 BDADRP C[C@@H](N)C[N@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236768908 979722319 /nfs/dbraw/zinc/72/23/19/979722319.db2.gz SLGKKGABCRGFHR-JHJVBQTASA-N 2 0 241.423 1.952 20 0 BDADRP Cn1cccc1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205255812 979737788 /nfs/dbraw/zinc/73/77/88/979737788.db2.gz LCTHXVKZDAOLER-ZDUSSCGKSA-N 2 0 221.348 1.728 20 0 BDADRP C[C@@]1([NH3+])CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC001205256178 979738306 /nfs/dbraw/zinc/73/83/06/979738306.db2.gz NSOKSFMDTPGQBY-NWDGAFQWSA-N 2 0 212.337 1.369 20 0 BDADRP C[C@]1([NH3+])CCC[N@H+](Cc2cn[nH]c2)CC1 ZINC001205255814 979740062 /nfs/dbraw/zinc/74/00/62/979740062.db2.gz LFSBDKIWVFQBRG-NSHDSACASA-N 2 0 208.309 1.113 20 0 BDADRP C[C@@]1([NH3+])CCC[N@H+](C[C@@H]2CCCCO2)CC1 ZINC001205256924 979748413 /nfs/dbraw/zinc/74/84/13/979748413.db2.gz SHTMOVRJQBKJSF-QWHCGFSZSA-N 2 0 226.364 1.759 20 0 BDADRP C[C@]1([NH3+])CCC[N@H+](CCCCC[NH3+])CC1 ZINC001205257425 979760719 /nfs/dbraw/zinc/76/07/19/979760719.db2.gz VLGMIMJXEJZXAT-LBPRGKRZSA-N 3 0 213.369 1.319 20 0 BDADRP CC[N@H+](C)Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001236888825 979783334 /nfs/dbraw/zinc/78/33/34/979783334.db2.gz RXMORQCWETUALJ-UHFFFAOYSA-N 2 0 247.386 1.890 20 0 BDADRP C[C@H]([NH3+])CN(C)Cc1ccc2ccn(C)c2c1 ZINC001236894882 979784677 /nfs/dbraw/zinc/78/46/77/979784677.db2.gz GEQKCUADQQGKEG-NSHDSACASA-N 2 0 231.343 1.957 20 0 BDADRP C1=C2[NH2+]CCN(C[C@H]3CCC[NH2+]3)[C@H]2CCC1 ZINC001237217674 979848398 /nfs/dbraw/zinc/84/83/98/979848398.db2.gz CESJVXOCPSMRIF-YPMHNXCESA-N 2 0 221.348 1.080 20 0 BDADRP C1=C2NCC[N@@H+](CC[C@H]3CCC[NH2+]C3)[C@@H]2CCC1 ZINC001237220996 979852529 /nfs/dbraw/zinc/85/25/29/979852529.db2.gz URQAAOVYKSKXFA-UKRRQHHQSA-N 2 0 249.402 1.718 20 0 BDADRP C([C@H]1CCCC[NH2+]1)N1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237376125 979877286 /nfs/dbraw/zinc/87/72/86/979877286.db2.gz PQFZUBXBYGRVJC-MGPQQGTHSA-N 2 0 237.391 1.202 20 0 BDADRP Nc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237416952 979888785 /nfs/dbraw/zinc/88/87/85/979888785.db2.gz RJWOYTIYHGCXOV-DZGCQCFKSA-N 2 0 245.370 1.843 20 0 BDADRP C[C@@H]([NH3+])CN1CC[C@@H]([NH+]2CCCCC2)[C@@H](F)C1 ZINC001237457623 979905890 /nfs/dbraw/zinc/90/58/90/979905890.db2.gz YEDSVAZYOZFXPL-FRRDWIJNSA-N 2 0 243.370 1.232 20 0 BDADRP CS[C@@H]1CC[C@H]1[NH2+]C[C@@H]1C[NH+]2CCC1CC2 ZINC001184134904 979945553 /nfs/dbraw/zinc/94/55/53/979945553.db2.gz JUJRUXGFBWUXQO-JHJVBQTASA-N 2 0 240.416 1.812 20 0 BDADRP CCN(C(=O)CCCCC[NH3+])[C@H]1CCC[NH2+]C1 ZINC001342932283 979946639 /nfs/dbraw/zinc/94/66/39/979946639.db2.gz AMIJNXULBMOCLR-LBPRGKRZSA-N 2 0 241.379 1.106 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)N[C@@H](C)CC[NH+](C)C ZINC001343408296 980094643 /nfs/dbraw/zinc/09/46/43/980094643.db2.gz WZEBPABGJOKQRX-RYUDHWBXSA-N 2 0 243.395 1.206 20 0 BDADRP C[N@@H+]1CCCN(Cc2cccc3c[nH+]cn32)CC1 ZINC001238103553 980149943 /nfs/dbraw/zinc/14/99/43/980149943.db2.gz MEHRLGCGCSRZQD-UHFFFAOYSA-N 2 0 244.342 1.472 20 0 BDADRP c1ccc(C23CC[NH2+]CC2C[NH2+]CC3)cc1 ZINC001239331306 980539240 /nfs/dbraw/zinc/53/92/40/980539240.db2.gz JZIWSBSHOMUDII-UHFFFAOYSA-N 2 0 216.328 1.527 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001345096957 980548349 /nfs/dbraw/zinc/54/83/49/980548349.db2.gz HKLZSLYZCLBOBL-VXGBXAGGSA-N 2 0 226.364 1.391 20 0 BDADRP C[NH2+][C@H](C)CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC001345103457 980549616 /nfs/dbraw/zinc/54/96/16/980549616.db2.gz FSOAZOPXTHCMPD-AAVRWANBSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H]([NH3+])CN1CCCc2cc(CC[NH3+])ccc21 ZINC001345138283 980559420 /nfs/dbraw/zinc/55/94/20/980559420.db2.gz WVGZGMUOUJMBLZ-LLVKDONJSA-N 2 0 233.359 1.288 20 0 BDADRP CCC[NH+]1CCC(NCC[C@H](C)[NH2+]C)CC1 ZINC001345469026 980616311 /nfs/dbraw/zinc/61/63/11/980616311.db2.gz ASHVWRWQCNKQRA-LBPRGKRZSA-N 2 0 227.396 1.448 20 0 BDADRP CC[C@H](NCC[C@@H](C)[NH2+]C)[C@@H]1CCC[NH2+]1 ZINC001345481867 980617447 /nfs/dbraw/zinc/61/74/47/980617447.db2.gz GWLYMPFOQDHGGH-WOPDTQHZSA-N 2 0 213.369 1.105 20 0 BDADRP [NH3+]Cc1ccc(-c2cncc(C[NH3+])c2)cc1 ZINC001239790443 980928929 /nfs/dbraw/zinc/92/89/29/980928929.db2.gz KTJBAOLNBQPRPC-UHFFFAOYSA-N 2 0 213.284 1.666 20 0 BDADRP CC1(C)C[N@H+](C[C@@H]2CCC[NH2+]C2)C(C)(C)CO1 ZINC001347098686 980969214 /nfs/dbraw/zinc/96/92/14/980969214.db2.gz REOPKULGQMLSOP-GFCCVEGCSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]1CC[N@H+](Cc2cccnn2)CC[C@@H]1C[NH3+] ZINC001205626549 981274729 /nfs/dbraw/zinc/27/47/29/981274729.db2.gz HBXWLCWHWXEKPY-NWDGAFQWSA-N 2 0 234.347 1.283 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccncc1C ZINC001348446850 981363524 /nfs/dbraw/zinc/36/35/24/981363524.db2.gz KPFAFNSVMKQSDL-JTQLQIEISA-N 2 0 207.321 1.335 20 0 BDADRP c1nc2c(cc1C1=CC[NH2+]CC1)C[NH2+]CC2 ZINC001240466679 981399554 /nfs/dbraw/zinc/39/95/54/981399554.db2.gz FISQJRQCEGSQID-UHFFFAOYSA-N 2 0 215.300 1.104 20 0 BDADRP O[C@@]1(C[N@@H+]2CC[C@H](C3CCC3)C2)CCC[NH2+]C1 ZINC001580878602 981676488 /nfs/dbraw/zinc/67/64/88/981676488.db2.gz SKYPZAFUDLXMEA-KBPBESRZSA-N 2 0 238.375 1.223 20 0 BDADRP OC[C@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001580884404 981701217 /nfs/dbraw/zinc/70/12/17/981701217.db2.gz ADLTZSDULAMGBP-DHGKCCLASA-N 2 0 238.375 1.125 20 0 BDADRP O=c1cc(C[NH2+]C[C@H]2CCC[NH2+]CC2)cc[nH]1 ZINC001580888009 981717480 /nfs/dbraw/zinc/71/74/80/981717480.db2.gz DOLYQPRZOSYNIT-NSHDSACASA-N 2 0 235.331 1.267 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+]Cc1ccncc1C ZINC001351680380 982360206 /nfs/dbraw/zinc/36/02/06/982360206.db2.gz WTQSMGHBJPCPRB-LLVKDONJSA-N 2 0 207.321 1.478 20 0 BDADRP C[NH+](C)Cc1ccc(C2=CC[N@H+](C)CC2)nc1 ZINC001241313018 982463308 /nfs/dbraw/zinc/46/33/08/982463308.db2.gz SHEAMIGSJJUACG-UHFFFAOYSA-N 2 0 231.343 1.862 20 0 BDADRP C[C@H]1CC[C@@H](CN)[N@H+](CCC23CC([NH3+])(C2)C3)C1 ZINC001205806623 982572210 /nfs/dbraw/zinc/57/22/10/982572210.db2.gz UYTXXUXTTPSFPS-FEPKRQSRSA-N 2 0 237.391 1.317 20 0 BDADRP Cc1c[nH]c(=O)c(CN2C[C@H](C)CC[C@H]2C[NH3+])c1 ZINC001205843934 982773837 /nfs/dbraw/zinc/77/38/37/982773837.db2.gz UVNBWVURQHNYRB-MFKMUULPSA-N 2 0 249.358 1.655 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCOC2)CC[C@H]1C[NH3+] ZINC000690529666 983013647 /nfs/dbraw/zinc/01/36/47/983013647.db2.gz NYZNYWVRDFHDIR-AGIUHOORSA-N 2 0 226.364 1.330 20 0 BDADRP C[C@@H]1[C@H](C[NH3+])CCCN1C[C@@H]([NH3+])c1ccccc1 ZINC001205905182 983133934 /nfs/dbraw/zinc/13/39/34/983133934.db2.gz ZHTWQBXMBMOEFL-VHDGCEQUSA-N 2 0 247.386 1.746 20 0 BDADRP Cc1cc(N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)nc(N)[nH+]1 ZINC001354393912 983297660 /nfs/dbraw/zinc/29/76/60/983297660.db2.gz DCBQEIRGAURPRI-GARJFASQSA-N 2 0 247.346 1.119 20 0 BDADRP C[C@@H]1CC[C@H]([N@@H+]2CCO[C@H](C[NH3+])C2)C[C@@H]1C ZINC000082841774 983384800 /nfs/dbraw/zinc/38/48/00/983384800.db2.gz WDEMJAFDHNFTOH-MROQNXINSA-N 2 0 226.364 1.471 20 0 BDADRP CCCC[C@@H](O)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC001252107153 983668773 /nfs/dbraw/zinc/66/87/73/983668773.db2.gz FUCLJJBCIQBNFA-CQSZACIVSA-N 2 0 242.407 2.000 20 0 BDADRP CCC(C)(C)[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC000149631347 983951976 /nfs/dbraw/zinc/95/19/76/983951976.db2.gz LTNQBXSTFYSCSF-SNVBAGLBSA-N 2 0 216.369 1.514 20 0 BDADRP C([C@@H]1CC[NH2+]C1)[N@@H+]1CCCC[C@@]12CCOC2 ZINC001574799659 984119358 /nfs/dbraw/zinc/11/93/58/984119358.db2.gz FHXHCMHTUDSGER-OLZOCXBDSA-N 2 0 224.348 1.241 20 0 BDADRP CC(C)OC(=O)C[C@H]([NH2+]C[C@H](C)[NH3+])C(C)C ZINC001576158758 984158730 /nfs/dbraw/zinc/15/87/30/984158730.db2.gz JHXPVYVVUDVUAL-QWRGUYRKSA-N 2 0 230.352 1.290 20 0 BDADRP C[C@@H]1[C@@H](CO)CC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC001576572272 984173203 /nfs/dbraw/zinc/17/32/03/984173203.db2.gz KGPTUYOUYKMVOC-TZMCWYRMSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@]1(C[NH2+][C@]23CCC[C@H]2OCC3)CC[NH2+]C1 ZINC001576526068 984173677 /nfs/dbraw/zinc/17/36/77/984173677.db2.gz MTIBUEVCZMHIAQ-AGIUHOORSA-N 2 0 224.348 1.287 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)c2nccn21 ZINC001576624653 984175981 /nfs/dbraw/zinc/17/59/81/984175981.db2.gz RYSKMUNIISJLRP-YFKTTZPYSA-N 2 0 234.347 1.606 20 0 BDADRP CCO[C@@]1(C)C[C@H]1[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC001578161645 984207171 /nfs/dbraw/zinc/20/71/71/984207171.db2.gz TUZVCNHRIZHNKJ-YFKTTZPYSA-N 2 0 224.348 1.413 20 0 BDADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@H](C)C(C)(C)C1 ZINC001578622163 984216537 /nfs/dbraw/zinc/21/65/37/984216537.db2.gz PMBLOBKIJBYWDS-WCQYABFASA-N 2 0 228.380 1.325 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CCC=CO2)CCC[C@@H]1C[NH3+] ZINC001205984472 984217150 /nfs/dbraw/zinc/21/71/50/984217150.db2.gz SCSOIVVQJCEMIH-MGPQQGTHSA-N 2 0 238.375 1.986 20 0 BDADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC001578832742 984230126 /nfs/dbraw/zinc/23/01/26/984230126.db2.gz QUDVBWWNNGTRIX-WOPDTQHZSA-N 2 0 240.347 1.060 20 0 BDADRP C[C@@H]1C[C@H]([N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)CC[NH2+]1 ZINC000718223580 984406275 /nfs/dbraw/zinc/40/62/75/984406275.db2.gz CCCTUOKZWCZENX-IZMFDJJNSA-N 2 0 236.359 1.236 20 0 BDADRP COCCC[N@@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001274936954 984410522 /nfs/dbraw/zinc/41/05/22/984410522.db2.gz MPDOAVIHWRDSIV-AWEZNQCLSA-N 2 0 240.391 1.831 20 0 BDADRP C[C@H]1C[C@@H]([N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)CC[NH2+]1 ZINC000718223581 984412174 /nfs/dbraw/zinc/41/21/74/984412174.db2.gz CCCTUOKZWCZENX-QQKNPXLJSA-N 2 0 236.359 1.236 20 0 BDADRP C[C@H]1CC[C@@H]([N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)C[NH2+]1 ZINC000718224003 984412623 /nfs/dbraw/zinc/41/26/23/984412623.db2.gz DIUKZJHPDOYRLD-GLBINXAQSA-N 2 0 236.359 1.236 20 0 BDADRP C[N@H+]1C[C@@H]2CC[NH+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001275045628 984444140 /nfs/dbraw/zinc/44/41/40/984444140.db2.gz QPWOQKIKLPJSKO-BETUJISGSA-N 2 0 233.359 1.788 20 0 BDADRP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2CC1CCC1 ZINC001275182354 984515688 /nfs/dbraw/zinc/51/56/88/984515688.db2.gz RCTJUYTXFHGSRO-OKILXGFUSA-N 2 0 237.391 1.107 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]C1CC(C[NH3+])C1 ZINC001577687381 984636080 /nfs/dbraw/zinc/63/60/80/984636080.db2.gz DCRABAKZMYCGIA-HIFPTAJRSA-N 3 0 227.396 1.434 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@H]2C[NH2+]C[C@H]21 ZINC001577687575 984643165 /nfs/dbraw/zinc/64/31/65/984643165.db2.gz LEQBFNSZCGSFCM-QWHCGFSZSA-N 2 0 225.380 1.012 20 0 BDADRP CCN(Cc1cc[nH]c(=O)c1)[C@@H]1CCC[NH2+]C1 ZINC001577734079 984691228 /nfs/dbraw/zinc/69/12/28/984691228.db2.gz DNWIZMHXRHZIII-GFCCVEGCSA-N 2 0 235.331 1.361 20 0 BDADRP CC[NH+]1CCC(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001577763535 984721711 /nfs/dbraw/zinc/72/17/11/984721711.db2.gz DSFTXFONXXPXCM-OKILXGFUSA-N 2 0 237.391 1.155 20 0 BDADRP CC[NH+]1CCC(CN(C)C[C@@H]2CC[NH2+]2)CC1 ZINC001577763456 984723592 /nfs/dbraw/zinc/72/35/92/984723592.db2.gz BQZLHMPUPMDGFK-ZDUSSCGKSA-N 2 0 225.380 1.012 20 0 BDADRP CC[NH+]1CCC(C[NH2+]C[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001577763958 984740996 /nfs/dbraw/zinc/74/09/96/984740996.db2.gz NJHOWHBGLNVBHC-JOCQHMNTSA-N 3 0 225.380 1.045 20 0 BDADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]([NH3+])C1CCCCC1 ZINC001326291828 984747733 /nfs/dbraw/zinc/74/77/33/984747733.db2.gz BYIGZPJVDLVCJM-PWSUYJOCSA-N 2 0 241.379 1.008 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+]CC1CC[NH+](CC)CC1 ZINC001577887240 984815123 /nfs/dbraw/zinc/81/51/23/984815123.db2.gz WXFKCPQBFIYLNC-GFCCVEGCSA-N 3 0 227.396 1.306 20 0 BDADRP CCOC(=O)[C@H](C)[C@H](C)[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001577908787 984817090 /nfs/dbraw/zinc/81/70/90/984817090.db2.gz SUSBRVFAAXJNLL-VYPUOHMVSA-N 2 0 240.347 1.044 20 0 BDADRP CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CC1(C[NH3+])CCC1 ZINC001577908430 984818876 /nfs/dbraw/zinc/81/88/76/984818876.db2.gz IVEATRGMRUTVPU-GHMZBOCLSA-N 2 0 242.363 1.293 20 0 BDADRP CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]C1CC([NH3+])C1 ZINC001577925977 984821897 /nfs/dbraw/zinc/82/18/97/984821897.db2.gz PEQQCNKMYAECRC-TWHWIZHFSA-N 2 0 240.347 1.188 20 0 BDADRP CCOC(=O)CCC[N@H+](C)CC1CC[NH2+]CC1 ZINC001577945857 984827243 /nfs/dbraw/zinc/82/72/43/984827243.db2.gz NVXQJNKWKBVMCI-UHFFFAOYSA-N 2 0 242.363 1.261 20 0 BDADRP CCOC1CC(CC[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)C1 ZINC001578084578 984843184 /nfs/dbraw/zinc/84/31/84/984843184.db2.gz NWWBDOUCPUJFJV-TUUUFIMRSA-N 2 0 240.391 1.907 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)[C@H]1OC ZINC001578148616 984854633 /nfs/dbraw/zinc/85/46/33/984854633.db2.gz DMQFLCLGLOIWNP-JZRPKSSGSA-N 2 0 242.363 1.038 20 0 BDADRP CCO[C@@H]1CCC[C@H]1[NH2+]C1CC2(C[NH2+]C2)C1 ZINC001578151439 984857203 /nfs/dbraw/zinc/85/72/03/984857203.db2.gz KBPPZMRJOSAVHA-VXGBXAGGSA-N 2 0 224.348 1.286 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH2+]CC2)[C@@H]1SC ZINC001578159069 984862726 /nfs/dbraw/zinc/86/27/26/984862726.db2.gz UWWTXJMDZDSCQP-UTUOFQBUSA-N 2 0 244.404 1.237 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+]CCC2([NH3+])CCOCC2)C1 ZINC001578161838 984864613 /nfs/dbraw/zinc/86/46/13/984864613.db2.gz YBKFDKAZSKESRQ-TXEJJXNPSA-N 2 0 242.363 1.042 20 0 BDADRP CCOc1cncc(CN[C@H]2C[C@@H]([NH3+])C2)c1 ZINC001578203974 984870227 /nfs/dbraw/zinc/87/02/27/984870227.db2.gz NACSWVWPPWERKI-PHIMTYICSA-N 2 0 221.304 1.060 20 0 BDADRP CC[C@H]1[NH2+]CC[C@@H]1N[C@H]1CCC[N@H+](CC)C1 ZINC001578241589 984894409 /nfs/dbraw/zinc/89/44/09/984894409.db2.gz CXLJGVKQATZSRK-XQQFMLRXSA-N 2 0 225.380 1.201 20 0 BDADRP C[N@H+](C[C@@H]1CC1(C)C)C[C@@]1(O)CCC[NH2+]C1 ZINC001578448142 985083153 /nfs/dbraw/zinc/08/31/53/985083153.db2.gz LHKIYMSHLXBTJH-WCQYABFASA-N 2 0 226.364 1.079 20 0 BDADRP C[N@H+](C[C@@H]1CCCC[NH2+]C1)[C@@H]1CCC[C@H]1O ZINC001578451351 985084027 /nfs/dbraw/zinc/08/40/27/985084027.db2.gz IIKZDAZJNPTTIA-JHJVBQTASA-N 2 0 226.364 1.221 20 0 BDADRP C[N@H+](C[C@H]1CC[C@@H]([NH3+])C1)C[C@@H]1CCCC[C@@H]1O ZINC001578451113 985085593 /nfs/dbraw/zinc/08/55/93/985085593.db2.gz DWTXJLHRIRZVDB-FQUUOJAGSA-N 2 0 240.391 1.597 20 0 BDADRP C[N@H+](CCC(=O)OC(C)(C)C)CC1(C[NH3+])CC1 ZINC001578461367 985094021 /nfs/dbraw/zinc/09/40/21/985094021.db2.gz KXUPAKALWKZNHQ-UHFFFAOYSA-N 2 0 242.363 1.389 20 0 BDADRP C[N@H+](C[C@@H]1COC(C)(C)O1)CC1CC[NH2+]CC1 ZINC001578457660 985095693 /nfs/dbraw/zinc/09/56/93/985095693.db2.gz DHXFVERXDUKTMC-GFCCVEGCSA-N 2 0 242.363 1.069 20 0 BDADRP CO[C@H]1CCC[N@H+](C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000691985180 985107680 /nfs/dbraw/zinc/10/76/80/985107680.db2.gz JYAIXOYTKROGDR-KBPBESRZSA-N 2 0 240.391 1.877 20 0 BDADRP C[N@H+](CCc1cnccn1)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578480892 985108985 /nfs/dbraw/zinc/10/89/85/985108985.db2.gz NPHRLJVMCPOOBH-NWDGAFQWSA-N 2 0 234.347 1.078 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)[C@@H](C)O1 ZINC000686512777 985125337 /nfs/dbraw/zinc/12/53/37/985125337.db2.gz WOWPMNUABKOSRJ-SYLRKERUSA-N 2 0 238.375 1.659 20 0 BDADRP C[N@@H+]1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1(C)C ZINC001578525307 985147420 /nfs/dbraw/zinc/14/74/20/985147420.db2.gz VFDVTFOKRXFGMA-NDBYEHHHSA-N 2 0 237.391 1.342 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc2c(c1)C[C@H](C)O2 ZINC001578626738 985240634 /nfs/dbraw/zinc/24/06/34/985240634.db2.gz GURYEEGTQVKLEP-RYUDHWBXSA-N 2 0 248.370 1.955 20 0 BDADRP C[NH2+]C[C@H](C)[NH2+][C@H]1CCC[C@H](SC)C1 ZINC001578638365 985246789 /nfs/dbraw/zinc/24/67/89/985246789.db2.gz MLIMXXDHWLJRNX-DCAQKATOSA-N 2 0 216.394 1.858 20 0 BDADRP CO[C@@H]1CC[C@@H](C)[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000687189786 985255296 /nfs/dbraw/zinc/25/52/96/985255296.db2.gz AUTGLLVQBHUIFF-IJLUTSLNSA-N 2 0 212.337 1.095 20 0 BDADRP CO[C@@H]1CC[C@H](C)[N@H+](CCC[NH2+]C2CC2)C1 ZINC000687204874 985258458 /nfs/dbraw/zinc/25/84/58/985258458.db2.gz LXWSWQIBZMTQIR-WCQYABFASA-N 2 0 226.364 1.628 20 0 BDADRP C[NH2+]C[C@H](O)C[N@H+](C)CC1CCCCCC1 ZINC001578651983 985267562 /nfs/dbraw/zinc/26/75/62/985267562.db2.gz CGNRRPLPXVMPGE-ZDUSSCGKSA-N 2 0 228.380 1.469 20 0 BDADRP C[NH2+]C[C@@H](O)C[N@@H+]1CCC[C@@H](CC(C)C)C1 ZINC001578653848 985272333 /nfs/dbraw/zinc/27/23/33/985272333.db2.gz FBKYTSHSFJFTEZ-QWHCGFSZSA-N 2 0 228.380 1.325 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCCC[C@@]12CCOC2 ZINC001578687066 985292913 /nfs/dbraw/zinc/29/29/13/985292913.db2.gz JILWKVWTLHSJGJ-LBPRGKRZSA-N 2 0 212.337 1.241 20 0 BDADRP COC(=O)[C@@H](C[NH2+]CC(C)(C)[NH3+])CC(C)C ZINC001578774617 985343335 /nfs/dbraw/zinc/34/33/35/985343335.db2.gz PWWDFFRDMNJNJW-SNVBAGLBSA-N 2 0 230.352 1.149 20 0 BDADRP COC(=O)[C@@]1(C)CC[N@H+](CCC[NH2+]C2CC2)C1 ZINC001578779031 985344173 /nfs/dbraw/zinc/34/41/73/985344173.db2.gz XUHNRZVRAPNCFO-ZDUSSCGKSA-N 2 0 240.347 1.014 20 0 BDADRP COC(=O)C1CCC([NH2+][C@H]2CC[NH2+][C@@H]2C)CC1 ZINC001578788992 985353168 /nfs/dbraw/zinc/35/31/68/985353168.db2.gz MPOHVJFOGKRATI-YYJSSNLHSA-N 2 0 240.347 1.058 20 0 BDADRP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC001578790681 985365839 /nfs/dbraw/zinc/36/58/39/985365839.db2.gz VUCZEBMZFIUNKB-PREPNJAASA-N 2 0 240.347 1.044 20 0 BDADRP COC(=O)C[C@@H]([NH2+]C[C@H]1CC[C@@H]([NH3+])C1)C1CC1 ZINC001578802947 985376615 /nfs/dbraw/zinc/37/66/15/985376615.db2.gz WZGYEJKYYWJRSD-MVWJERBFSA-N 2 0 240.347 1.045 20 0 BDADRP COC(=O)[C@H](C)[N@H+](C)CCCCCCC[NH3+] ZINC001578845891 985420806 /nfs/dbraw/zinc/42/08/06/985420806.db2.gz HGWGECCYUUBVIE-NSHDSACASA-N 2 0 230.352 1.389 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@H]1COC[C@H]1C ZINC000687975830 985435437 /nfs/dbraw/zinc/43/54/37/985435437.db2.gz VUKLGINTIAJIIU-NEPJUHHUSA-N 2 0 214.353 1.343 20 0 BDADRP CO[C@@H](C)[C@@H](C)[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578897864 985473672 /nfs/dbraw/zinc/47/36/72/985473672.db2.gz ZJGGLTHFISDTGE-VPOLOUISSA-N 2 0 200.326 1.127 20 0 BDADRP COC1(CC[NH2+]C2CC3(C[C@H]3[NH3+])C2)CCC1 ZINC001578926964 985522189 /nfs/dbraw/zinc/52/21/89/985522189.db2.gz ROCPUKYMRSCDLK-MOENNCHZSA-N 2 0 224.348 1.415 20 0 BDADRP COC1(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CCC1 ZINC001578926870 985522824 /nfs/dbraw/zinc/52/28/24/985522824.db2.gz PCUZEAIJQKQMGW-DGCLKSJQSA-N 2 0 224.348 1.369 20 0 BDADRP C[C@@H]1COC[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000688047456 985527300 /nfs/dbraw/zinc/52/73/00/985527300.db2.gz ZWTZTLIKUWCPOE-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H]2COC[C@@H]2C)CC1 ZINC000688048756 985529971 /nfs/dbraw/zinc/52/99/71/985529971.db2.gz OOEAZZHIVGTTCC-WCQYABFASA-N 2 0 226.364 1.485 20 0 BDADRP Cc1cc(C[N@H+](C)C2CCC([NH3+])CC2)nn1C ZINC000688058748 985542540 /nfs/dbraw/zinc/54/25/40/985542540.db2.gz QVWPXUQUOOBTLW-UHFFFAOYSA-N 2 0 236.363 1.430 20 0 BDADRP COC1CC(C[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)C1 ZINC001578936129 985548725 /nfs/dbraw/zinc/54/87/25/985548725.db2.gz OQBWLPDRYGKYJV-FIYWTHMPSA-N 2 0 224.348 1.286 20 0 BDADRP CO[C@@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C[C@H]1C ZINC001578940270 985554651 /nfs/dbraw/zinc/55/46/51/985554651.db2.gz CZNOSDPGWRPKSF-JHJVBQTASA-N 2 0 226.364 1.343 20 0 BDADRP [NH3+]Cc1ccnc(/C=C/C2CC[NH2+]CC2)c1 ZINC001243892775 985562487 /nfs/dbraw/zinc/56/24/87/985562487.db2.gz LEZDXTKQHQIYFI-OWOJBTEDSA-N 2 0 217.316 1.553 20 0 BDADRP C(=C/C1CC[NH2+]CC1)\c1cc(C2C[NH2+]C2)ncn1 ZINC001243892913 985562893 /nfs/dbraw/zinc/56/28/93/985562893.db2.gz BSDMQRKPDOWWCN-OWOJBTEDSA-N 2 0 244.342 1.176 20 0 BDADRP C(=C/C1CC[NH2+]CC1)\c1cc2c(nn1)C[NH2+]C2 ZINC001243894102 985572069 /nfs/dbraw/zinc/57/20/69/985572069.db2.gz FYOJKEMZOHHRCX-OWOJBTEDSA-N 2 0 230.315 1.093 20 0 BDADRP COC[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]CC1 ZINC001578961418 985586356 /nfs/dbraw/zinc/58/63/56/985586356.db2.gz XHVCBFZJYSAORW-WDEREUQCSA-N 2 0 200.326 1.001 20 0 BDADRP COC[C@H]([NH2+]C[C@H]([NH3+])CC(F)F)C(C)C ZINC001578970599 985606135 /nfs/dbraw/zinc/60/61/35/985606135.db2.gz YFVYFJXVSFYIJV-BDAKNGLRSA-N 2 0 224.295 1.230 20 0 BDADRP COCC[C@H](C)C[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001578994979 985627765 /nfs/dbraw/zinc/62/77/65/985627765.db2.gz NBHLSWJLQVBBOH-VOBJUBJWSA-N 2 0 212.337 1.128 20 0 BDADRP CSCC[C@@H](C)[NH2+]CCSCC[NH3+] ZINC001258208115 985631584 /nfs/dbraw/zinc/63/15/84/985631584.db2.gz JQIULFOREHLXBX-SECBINFHSA-N 2 0 222.423 1.410 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+]C[C@@H]1C[C@H]1C(C)C ZINC001579004058 985660407 /nfs/dbraw/zinc/66/04/07/985660407.db2.gz OSJTZJSCKTWUML-SRVKXCTJSA-N 2 0 214.353 1.232 20 0 BDADRP COCC[C@@H]([NH3+])C[NH2+]CC1(SC)CCC1 ZINC001579003229 985662650 /nfs/dbraw/zinc/66/26/50/985662650.db2.gz CGSOLKSDIMKPAP-SNVBAGLBSA-N 2 0 232.393 1.226 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+]C1CCC(COC)CC1 ZINC001579002872 985663739 /nfs/dbraw/zinc/66/37/39/985663739.db2.gz URGRWVDNCSDDGL-CPCZMJQVSA-N 2 0 244.379 1.145 20 0 BDADRP COCCc1ncc(C[NH2+][C@@H](C)CC[NH3+])s1 ZINC001579067643 985692084 /nfs/dbraw/zinc/69/20/84/985692084.db2.gz LKIGOWSUBXJMOD-VIFPVBQESA-N 2 0 243.376 1.159 20 0 BDADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H]3C[C@@H]([NH3+])C3)C[C@H]2C1 ZINC001579127327 985802218 /nfs/dbraw/zinc/80/22/18/985802218.db2.gz LKRBISZYKAHRAC-DUMGWNBUSA-N 2 0 224.348 1.269 20 0 BDADRP CO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC001579130308 985807238 /nfs/dbraw/zinc/80/72/38/985807238.db2.gz RQCORJKTNFTBSF-KKOKHZNYSA-N 2 0 212.337 1.142 20 0 BDADRP COc1cc(CCN[C@H]2C[NH2+]C[C@H](C)C2)ccn1 ZINC001579150168 985817051 /nfs/dbraw/zinc/81/70/51/985817051.db2.gz GITUKQVYZUCDQM-DGCLKSJQSA-N 2 0 249.358 1.220 20 0 BDADRP COc1ccc(C[NH2+]C[C@H]2CCC[NH2+]CC2)cn1 ZINC001579216429 985819203 /nfs/dbraw/zinc/81/92/03/985819203.db2.gz UGLOCVYUPQQDHH-LBPRGKRZSA-N 2 0 249.358 1.570 20 0 BDADRP COc1ccc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cn1 ZINC001579216174 985819715 /nfs/dbraw/zinc/81/97/15/985819715.db2.gz GAJPXQGJHNMSPX-DGCLKSJQSA-N 2 0 249.358 1.425 20 0 BDADRP COC(=O)CC[C@H](C)[NH2+]CCCC[NH+](C)C ZINC001258347984 985826445 /nfs/dbraw/zinc/82/64/45/985826445.db2.gz XYEYWCKIWLGKEC-NSHDSACASA-N 2 0 230.352 1.260 20 0 BDADRP COc1cccc(C[C@H](C)[NH2+][C@H]2C[C@H]([NH3+])C2)n1 ZINC001579269377 985828777 /nfs/dbraw/zinc/82/87/77/985828777.db2.gz SQKIWFDHWVSKDM-NHCYSSNCSA-N 2 0 235.331 1.101 20 0 BDADRP COc1cncc(CNC[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC001579321399 985840503 /nfs/dbraw/zinc/84/05/03/985840503.db2.gz IBDMCVLMVGUDIP-PWSUYJOCSA-N 2 0 235.331 1.035 20 0 BDADRP CSC1(CN[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC001579364864 985860206 /nfs/dbraw/zinc/86/02/06/985860206.db2.gz DFCCLTLJGIGYRB-RKDXNWHRSA-N 2 0 200.351 1.080 20 0 BDADRP C[C@@H]([NH2+]C[C@@](C)(O)C[NH3+])c1cccs1 ZINC001579414751 985888348 /nfs/dbraw/zinc/88/83/48/985888348.db2.gz MVBSPZNNPGRENP-SCZZXKLOSA-N 2 0 214.334 1.108 20 0 BDADRP C[C@@H]1C[N@H+](CCc2cscn2)C[C@H]1C[NH3+] ZINC001579440669 985923749 /nfs/dbraw/zinc/92/37/49/985923749.db2.gz OBAAQRXDLQAXPB-NXEZZACHSA-N 2 0 225.361 1.212 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@H](O)CC12CCC2 ZINC001579454618 985939317 /nfs/dbraw/zinc/93/93/17/985939317.db2.gz PCGZNXMXSFUPCP-AGIUHOORSA-N 2 0 238.375 1.221 20 0 BDADRP C[C@@]12C[NH2+]C[C@@H]1C[N@H+](CCC[C@H]1CCOC1)C2 ZINC001579474004 985979544 /nfs/dbraw/zinc/97/95/44/985979544.db2.gz UGFYGHBBAKGXDN-MJBXVCDLSA-N 2 0 238.375 1.344 20 0 BDADRP Cc1cc(C[NH2+]C[C@H](C)C[NH3+])cc(C)n1 ZINC001579600904 986117658 /nfs/dbraw/zinc/11/76/58/986117658.db2.gz DMNRLGIBQBEGJR-SECBINFHSA-N 2 0 207.321 1.383 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CCCOC[C@@H]2C)CC1 ZINC001461865605 986205205 /nfs/dbraw/zinc/20/52/05/986205205.db2.gz FJIMISSKOXMJCE-ZDUSSCGKSA-N 2 0 240.391 1.829 20 0 BDADRP Cc1cccc([C@H](C)[NH2+]C[C@@](C)(O)C[NH3+])c1 ZINC001579777195 986219780 /nfs/dbraw/zinc/21/97/80/986219780.db2.gz XNLKVMRAVVBXET-AAEUAGOBSA-N 2 0 222.332 1.355 20 0 BDADRP Cc1cnc([C@H](C)N2C[C@@H](C[NH3+])[C@H](C)C2)cn1 ZINC001579819788 986244083 /nfs/dbraw/zinc/24/40/83/986244083.db2.gz RQQJOPPJPDNPJT-ADEWGFFLSA-N 2 0 234.347 1.373 20 0 BDADRP CNc1ccccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001461944110 986244791 /nfs/dbraw/zinc/24/47/91/986244791.db2.gz WTIYUBXSBGBITJ-BETUJISGSA-N 2 0 231.343 1.380 20 0 BDADRP Cc1cnn(C)c1C[NH2+]C[C@H]1CCC[NH2+]CC1 ZINC001579827062 986253006 /nfs/dbraw/zinc/25/30/06/986253006.db2.gz YQFCUJWDEVGFAK-LBPRGKRZSA-N 2 0 236.363 1.208 20 0 BDADRP Cc1n[nH]c(C)c1C[NH2+]C1CC2(CC([NH3+])C2)C1 ZINC001579837828 986258768 /nfs/dbraw/zinc/25/87/68/986258768.db2.gz MXDGTVPJTCEHFV-UHFFFAOYSA-N 2 0 234.347 1.386 20 0 BDADRP Cc1nnc([C@H]2CC[N@H+](C[C@H]3CC[C@@H]([NH3+])C3)C2)[nH]1 ZINC001579853053 986276495 /nfs/dbraw/zinc/27/64/95/986276495.db2.gz NRHFETGSKQPTEM-SDDRHHMPSA-N 2 0 249.362 1.030 20 0 BDADRP Cc1ncc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)n1C ZINC001579877800 986292289 /nfs/dbraw/zinc/29/22/89/986292289.db2.gz CTHDLBIGISYGSM-ZYHUDNBSSA-N 2 0 236.363 1.064 20 0 BDADRP Cc1noc([C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C(C)C)n1 ZINC001579917385 986334891 /nfs/dbraw/zinc/33/48/91/986334891.db2.gz XBHJNRHPVIFSRM-OUAUKWLOSA-N 2 0 238.335 1.402 20 0 BDADRP Cn1ccc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c1 ZINC001579971714 986374813 /nfs/dbraw/zinc/37/48/13/986374813.db2.gz WOKWNOXSBORBDF-OLZOCXBDSA-N 2 0 219.332 1.066 20 0 BDADRP [NH3+][C@H](CC(=O)Nc1ccc2c[nH+]cn2c1)C1CC1 ZINC001580121275 986587105 /nfs/dbraw/zinc/58/71/05/986587105.db2.gz PALVLJZQNBHCJC-GFCCVEGCSA-N 2 0 244.298 1.400 20 0 BDADRP [NH3+][C@@H](C[NH2+]CC(O)(C1CC1)C1CC1)CC(F)F ZINC001580132070 986603879 /nfs/dbraw/zinc/60/38/79/986603879.db2.gz KRIGTOACJDRZHH-SNVBAGLBSA-N 2 0 248.317 1.110 20 0 BDADRP [NH3+]C1(C[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CCC1 ZINC001580152269 986621953 /nfs/dbraw/zinc/62/19/53/986621953.db2.gz BNEYYZMCMHVIPI-KIJLLGNVSA-N 2 0 236.359 1.271 20 0 BDADRP [NH3+]C1CC2(C1)CC([NH2+]Cc1cc[nH]c1)C2 ZINC001580165151 986635062 /nfs/dbraw/zinc/63/50/62/986635062.db2.gz GFDPKVQCFBNAQO-UHFFFAOYSA-N 2 0 205.305 1.374 20 0 BDADRP [NH3+][C@H]1CC12CC([NH2+]C[C@@H]1CCSC1)C2 ZINC001580163388 986637934 /nfs/dbraw/zinc/63/79/34/986637934.db2.gz AGWGEKSCVVNDJS-XEAZBWPWSA-N 2 0 212.362 1.209 20 0 BDADRP [NH3+][C@H]1CC12CC([NH2+]CC1CC[NH+](C3CC3)CC1)C2 ZINC001580165899 986640386 /nfs/dbraw/zinc/64/03/86/986640386.db2.gz NRMKFZUFBNQFDN-BLZCZZARSA-N 3 0 249.402 1.330 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+]C[C@@H]1C[C@H]3CCC[C@H]3O1)C2 ZINC001580167313 986640426 /nfs/dbraw/zinc/64/04/26/986640426.db2.gz XYWQOWFOAZLCHP-BJKGQKKDSA-N 2 0 236.359 1.413 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+][C@@H]1CCCSC1)C2 ZINC001580166989 986642297 /nfs/dbraw/zinc/64/22/97/986642297.db2.gz SCSFILGOKPNANE-BZCXBAJXSA-N 2 0 212.362 1.351 20 0 BDADRP [NH3+]CC1(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)CCC1 ZINC001580244500 986696054 /nfs/dbraw/zinc/69/60/54/986696054.db2.gz ZDMSPVPVDOHUTI-FUNVUKJBSA-N 2 0 238.375 1.208 20 0 BDADRP [NH3+]C[C@]12C[N@H+](CCF)C[C@@H]1CCCC2 ZINC001580256435 986709254 /nfs/dbraw/zinc/70/92/54/986709254.db2.gz UGRQYOBYWRIYDB-WDEREUQCSA-N 2 0 200.301 1.407 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)C1 ZINC001580387045 986811538 /nfs/dbraw/zinc/81/15/38/986811538.db2.gz HHMHSRPILPXAGE-IGQOVBAYSA-N 2 0 238.375 1.208 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]C2CCN(c3ccccn3)CC2)C1 ZINC001580423116 986840690 /nfs/dbraw/zinc/84/06/90/986840690.db2.gz POYGAELGGYSAPW-BJHJDKERSA-N 2 0 246.358 1.130 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC001580423211 986841844 /nfs/dbraw/zinc/84/18/44/986841844.db2.gz UJAREXSITVWDRX-LLKUTVGBSA-N 2 0 202.301 1.779 20 0 BDADRP Nc1ncccc1C[NH2+][C@H]1CC[C@H]([NH3+])CC1 ZINC001580472670 986870003 /nfs/dbraw/zinc/87/00/03/986870003.db2.gz UHYFAEYFZFNDEV-XYPYZODXSA-N 2 0 220.320 1.023 20 0 BDADRP O=C(C[NH2+]C1CC1)Nc1ccc2c[nH+]cn2c1 ZINC001580553243 986900361 /nfs/dbraw/zinc/90/03/61/986900361.db2.gz GORWLROLBSUWEP-UHFFFAOYSA-N 2 0 230.271 1.025 20 0 BDADRP CCCC[C@@H](C)NC(=[NH2+])SCC[NH3+] ZINC001255313616 986906837 /nfs/dbraw/zinc/90/68/37/986906837.db2.gz OICQVTNOKJVJCP-MRVPVSSYSA-N 2 0 203.355 1.781 20 0 BDADRP CCCC[C@H](C)NC(=[NH2+])SCC[NH3+] ZINC001255313618 986907129 /nfs/dbraw/zinc/90/71/29/986907129.db2.gz OICQVTNOKJVJCP-QMMMGPOBSA-N 2 0 203.355 1.781 20 0 BDADRP Cc1cnc(-c2ccncc2C[NH3+])c(C[NH3+])c1 ZINC001245558867 986951617 /nfs/dbraw/zinc/95/16/17/986951617.db2.gz VLSWMCCBMHOBTG-UHFFFAOYSA-N 2 0 228.299 1.369 20 0 BDADRP [NH3+]CCc1ccc(-c2ccncc2C[NH3+])cc1 ZINC001245559979 986954315 /nfs/dbraw/zinc/95/43/15/986954315.db2.gz KLJPRTOPTYATPD-UHFFFAOYSA-N 2 0 227.311 1.709 20 0 BDADRP C[N@@H+]1C[C@H]2CCCN([C@H]3CCC[NH+](C)C3)[C@@H]2C1 ZINC001255490816 986988674 /nfs/dbraw/zinc/98/86/74/986988674.db2.gz YIGHTGYVKSIBKE-HZSPNIEDSA-N 2 0 237.391 1.107 20 0 BDADRP C[N@@H+]1C[C@H]2CCCN([C@H]3CCC[NH+](C)C3)[C@H]2C1 ZINC001255490819 986990036 /nfs/dbraw/zinc/99/00/36/986990036.db2.gz YIGHTGYVKSIBKE-RDBSUJKOSA-N 2 0 237.391 1.107 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]CCC(C)(C)O ZINC001255945877 987083569 /nfs/dbraw/zinc/08/35/69/987083569.db2.gz OLKJODSMZUUQIA-GFCCVEGCSA-N 2 0 230.396 1.857 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[N@@H+]1C[C@@H](O)C[C@H]1C ZINC001255955734 987099251 /nfs/dbraw/zinc/09/92/51/987099251.db2.gz DBFAPAASYGHHGF-XQQFMLRXSA-N 2 0 228.380 1.562 20 0 BDADRP CC(C)([NH3+])c1ccc(-c2cnc(C[NH3+])nc2)cc1 ZINC001245909807 987133605 /nfs/dbraw/zinc/13/36/05/987133605.db2.gz YUBSLUDVQSKGAR-UHFFFAOYSA-N 2 0 242.326 1.796 20 0 BDADRP CC(C)(C)OC[C@H](O)C[NH2+]CC1([NH3+])CCCC1 ZINC001245971793 987242946 /nfs/dbraw/zinc/24/29/46/987242946.db2.gz CJKWZTXKFWDFQD-LLVKDONJSA-N 2 0 244.379 1.024 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccccc2)C[NH2+]1 ZINC001245977615 987249231 /nfs/dbraw/zinc/24/92/31/987249231.db2.gz WVGLFKZNBLUKFI-VNHYZAJKSA-N 2 0 248.370 1.698 20 0 BDADRP CCCCC[C@@H](O)C[NH2+][C@H]1CCCC[C@H]1[NH3+] ZINC001246014097 987296356 /nfs/dbraw/zinc/29/63/56/987296356.db2.gz VGONWUOBVULVKM-UPJWGTAASA-N 2 0 228.380 1.787 20 0 BDADRP CCCC[C@H](O)C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246016539 987300720 /nfs/dbraw/zinc/30/07/20/987300720.db2.gz LWZLVZGBYABQBH-NEPJUHHUSA-N 2 0 214.353 1.351 20 0 BDADRP CCCCOC[C@H](O)C[NH2+][C@H]1CCCC[C@H]1[NH3+] ZINC001246017723 987301588 /nfs/dbraw/zinc/30/15/88/987301588.db2.gz LCHKFESPBVDDIJ-UPJWGTAASA-N 2 0 244.379 1.024 20 0 BDADRP CCC[C@H](O)C[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246022843 987310988 /nfs/dbraw/zinc/31/09/88/987310988.db2.gz PHPSBSYAJRLMKG-NWDGAFQWSA-N 2 0 232.343 1.300 20 0 BDADRP CC1(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)COC1 ZINC000693675927 987313134 /nfs/dbraw/zinc/31/31/34/987313134.db2.gz HMBDPRILYPPNFD-GRYCIOLGSA-N 2 0 238.375 1.389 20 0 BDADRP CCCC[C@@H](O)C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246025346 987316530 /nfs/dbraw/zinc/31/65/30/987316530.db2.gz WWWSCXFZBIBQBA-ZIAGYGMSSA-N 2 0 242.407 1.988 20 0 BDADRP CC(C)(C)[C@@H](O)C[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246025918 987321231 /nfs/dbraw/zinc/32/12/31/987321231.db2.gz YHIQSBVKTVPORE-AAEUAGOBSA-N 2 0 246.370 1.546 20 0 BDADRP CCC[C@H](O)C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246050278 987340158 /nfs/dbraw/zinc/34/01/58/987340158.db2.gz FLOCLDWYXQCMAI-XQQFMLRXSA-N 2 0 226.364 1.079 20 0 BDADRP Cc1cccc(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)c1 ZINC001246073102 987361495 /nfs/dbraw/zinc/36/14/95/987361495.db2.gz UISSKKPRAXNSAZ-AWEZNQCLSA-N 2 0 245.370 1.179 20 0 BDADRP CCOC(=O)[C@H]1CC[C@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC001246077861 987366597 /nfs/dbraw/zinc/36/65/97/987366597.db2.gz LBWAGTBCVGGOER-JQWIXIFHSA-N 2 0 240.347 1.060 20 0 BDADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)NCC[NH+](CC)CC ZINC000400770755 987369955 /nfs/dbraw/zinc/36/99/55/987369955.db2.gz CJSJUUCPSLOFAZ-NWDGAFQWSA-N 2 0 243.395 1.208 20 0 BDADRP CC(C)COCC[C@@H](C)[NH2+]C1CC[NH2+]CC1 ZINC001246080546 987375329 /nfs/dbraw/zinc/37/53/29/987375329.db2.gz RJKCAMSFODDRFI-GFCCVEGCSA-N 2 0 228.380 1.779 20 0 BDADRP CC(C)COCC[C@H](C)[NH2+]C1CC[NH2+]CC1 ZINC001246080551 987375758 /nfs/dbraw/zinc/37/57/58/987375758.db2.gz RJKCAMSFODDRFI-LBPRGKRZSA-N 2 0 228.380 1.779 20 0 BDADRP C[C@@]1(CNC2CC[NH2+]CC2)CCCC[NH2+]C1 ZINC001246089053 987389005 /nfs/dbraw/zinc/38/90/05/987389005.db2.gz BDJAKRZKJDGLSA-CYBMUJFWSA-N 2 0 225.380 1.108 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC[NH2+]C2)C[C@H](C)O1 ZINC001246089955 987395386 /nfs/dbraw/zinc/39/53/86/987395386.db2.gz IEGSGNZHRIRSFQ-RNJOBUHISA-N 2 0 226.364 1.674 20 0 BDADRP CC[C@@H]1C[C@H](N[C@@]2(C)CC[NH2+]C2)C[C@H](CC)[NH2+]1 ZINC001246092029 987396310 /nfs/dbraw/zinc/39/63/10/987396310.db2.gz BPIJZABICUZEKO-DGAVXFQQSA-N 2 0 239.407 1.637 20 0 BDADRP CC[C@@H]1C[C@@H](N[C@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC001246090906 987396452 /nfs/dbraw/zinc/39/64/52/987396452.db2.gz MRPRIELNFOVSNC-AGIUHOORSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](F)C2)CC[NH2+]1 ZINC001246090738 987397499 /nfs/dbraw/zinc/39/74/99/987397499.db2.gz YQISGFPRSHYVQF-DDHJBXDOSA-N 2 0 214.328 1.997 20 0 BDADRP C[N@@H+]1CCC[C@H](N[C@H]2CCCC[NH2+]C2)CC1 ZINC001246093082 987402822 /nfs/dbraw/zinc/40/28/22/987402822.db2.gz VCJZHEPRBRHJJD-STQMWFEESA-N 2 0 225.380 1.202 20 0 BDADRP C[C@@H](Cc1ccccn1)[NH2+]C[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246096043 987404577 /nfs/dbraw/zinc/40/45/77/987404577.db2.gz LLINLWQTTKOSSB-RDBSUJKOSA-N 2 0 247.386 1.990 20 0 BDADRP CC[C@@H]1C[C@H](NCC(C)(C)[NH3+])C[C@H](CC)[NH2+]1 ZINC001246099318 987413862 /nfs/dbraw/zinc/41/38/62/987413862.db2.gz HHFVXUUURJMMFC-GDNZZTSVSA-N 2 0 227.396 1.623 20 0 BDADRP CC[C@@H]1C[C@H](N[C@H]2C[NH2+]CC[C@H]2C)CC[NH2+]1 ZINC001246100187 987416634 /nfs/dbraw/zinc/41/66/34/987416634.db2.gz WCMZDTFIHVIQDO-LPWJVIDDSA-N 2 0 225.380 1.105 20 0 BDADRP CC[C@H]1C[C@@H](N[C@H]2C[NH2+]CC[C@H]2C)CC[NH2+]1 ZINC001246100190 987418523 /nfs/dbraw/zinc/41/85/23/987418523.db2.gz WCMZDTFIHVIQDO-VOAKCMCISA-N 2 0 225.380 1.105 20 0 BDADRP CCCC[C@@H]1C[C@H](N[C@@H]2CC[NH2+][C@@H]2C)CC[NH2+]1 ZINC001246100480 987420707 /nfs/dbraw/zinc/42/07/07/987420707.db2.gz DZBDDTOBGHXWEZ-AAVRWANBSA-N 2 0 239.407 1.637 20 0 BDADRP CCOCC[C@H](C)[NH2+]C[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246100973 987423491 /nfs/dbraw/zinc/42/34/91/987423491.db2.gz USHNNUGLDRRXHK-AGIUHOORSA-N 2 0 228.380 1.779 20 0 BDADRP F[C@@H]1CCC[C@H]1C[NH2+]C1CC[NH2+]CC1 ZINC001246101216 987425436 /nfs/dbraw/zinc/42/54/36/987425436.db2.gz YYZAXVOEWZVPRU-GXSJLCMTSA-N 2 0 200.301 1.466 20 0 BDADRP C(C[NH2+][C@H]1CCCC[NH2+]C1)CC1CC[NH2+]CC1 ZINC001246103189 987426680 /nfs/dbraw/zinc/42/66/80/987426680.db2.gz GHZRVZDLHBAWNP-AWEZNQCLSA-N 3 0 239.407 1.498 20 0 BDADRP C[C@@]1(N[C@H]2CCCC[NH2+]C2)CCC[NH2+]CC1 ZINC001246103516 987427882 /nfs/dbraw/zinc/42/78/82/987427882.db2.gz VQKMXCMPDXHHDY-QWHCGFSZSA-N 2 0 225.380 1.250 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CCCC2CC[NH2+]CC2)CN1 ZINC001246105429 987431662 /nfs/dbraw/zinc/43/16/62/987431662.db2.gz MMJQFBFHVIJOCJ-OCCSQVGLSA-N 2 0 239.407 1.496 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)O3)[NH2+]C1 ZINC001246106995 987437328 /nfs/dbraw/zinc/43/73/28/987437328.db2.gz RUELDWNBNNBHKS-DUJLVANISA-N 2 0 238.375 1.674 20 0 BDADRP C[C@H](Cc1ccncc1)[NH2+]C[C@H]1C[NH2+]CC[C@H]1C ZINC001246109820 987442576 /nfs/dbraw/zinc/44/25/76/987442576.db2.gz HESQCJQECNRKQK-UMVBOHGHSA-N 2 0 247.386 1.848 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+][C@H]1CCCOCC1 ZINC001246110960 987447557 /nfs/dbraw/zinc/44/75/57/987447557.db2.gz NEGMMTPFORROJG-XQQFMLRXSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H](Cc1ccncc1)NC[C@H]1CC[C@@H](C)C[NH2+]1 ZINC001246111246 987447847 /nfs/dbraw/zinc/44/78/47/987447847.db2.gz IOTYWSMDYGJSMG-VNHYZAJKSA-N 2 0 247.386 1.990 20 0 BDADRP C[NH2+]CCCN[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246112080 987447926 /nfs/dbraw/zinc/44/79/26/987447926.db2.gz KNVDLWCELVQCFN-NWDGAFQWSA-N 3 0 227.396 1.352 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](F)C2)CC[NH2+]1 ZINC001246112440 987449930 /nfs/dbraw/zinc/44/99/30/987449930.db2.gz UHCMVHZKZVOGRJ-ZNSHCXBVSA-N 2 0 200.301 1.607 20 0 BDADRP [NH3+][C@@H]1Cc2ccccc2N(C2CC[NH2+]CC2)C1 ZINC001246115729 987452519 /nfs/dbraw/zinc/45/25/19/987452519.db2.gz VCIXZWOCHSPFKE-GFCCVEGCSA-N 2 0 231.343 1.128 20 0 BDADRP CCCC[C@@H]1C[C@@H](NCCC[NH2+]C)CC[NH2+]1 ZINC001246114935 987453478 /nfs/dbraw/zinc/45/34/78/987453478.db2.gz QKNXDBKLCWKAQC-OLZOCXBDSA-N 2 0 227.396 1.496 20 0 BDADRP C[C@H]1CC(N[C@H]2CCCC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC001246117655 987459477 /nfs/dbraw/zinc/45/94/77/987459477.db2.gz SPQYWLACIKVQLN-SRVKXCTJSA-N 2 0 225.380 1.247 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1C[NH2+]C1CCSCC1 ZINC001246117289 987459751 /nfs/dbraw/zinc/45/97/51/987459751.db2.gz YZGIDMKJPYHTLZ-MNOVXSKESA-N 2 0 228.405 1.717 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001246117960 987459913 /nfs/dbraw/zinc/45/99/13/987459913.db2.gz DEYRVIYPDFRSJP-YJBUHQLJSA-N 2 0 238.375 1.532 20 0 BDADRP CCOCC[C@H](C)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1C ZINC001246117757 987460320 /nfs/dbraw/zinc/46/03/20/987460320.db2.gz CUCCYKXNRTVAAC-AVGNSLFASA-N 2 0 228.380 1.637 20 0 BDADRP CCC[C@@H](C)CC[C@H](C)[NH2+]CCC1(O)C[NH2+]C1 ZINC001246119844 987463406 /nfs/dbraw/zinc/46/34/06/987463406.db2.gz XISAPMPIOHGGEE-OLZOCXBDSA-N 2 0 242.407 1.905 20 0 BDADRP C1CC2(C[NH2+]1)CCC([NH2+][C@H]1CCCNC1)CC2 ZINC001246119566 987464519 /nfs/dbraw/zinc/46/45/19/987464519.db2.gz HKIOZFIKDHVMOY-MOKVOYLWSA-N 2 0 237.391 1.250 20 0 BDADRP C[C@H]1C[C@H]([NH2+]Cc2cccc(N)c2)CC[NH2+]1 ZINC001246121365 987468708 /nfs/dbraw/zinc/46/87/08/987468708.db2.gz XVKQUWLEHINBRP-GXFFZTMASA-N 2 0 219.332 1.499 20 0 BDADRP CC(C)(C)[C@@H]1C[C@@H](NC2(C)C[NH2+]C2)CC[NH2+]1 ZINC001246125155 987471386 /nfs/dbraw/zinc/47/13/86/987471386.db2.gz YGCJTLOLVNMKRK-QWRGUYRKSA-N 2 0 225.380 1.105 20 0 BDADRP C1[C@H]2C[NH2+]C[C@@]12NC1CCC2(CCC[NH2+]C2)CC1 ZINC001246132469 987480730 /nfs/dbraw/zinc/48/07/30/987480730.db2.gz DEBYAPDUXGKEGE-PPWQZUPISA-N 2 0 249.402 1.250 20 0 BDADRP COC1CCC([NH2+][C@H]2C[NH2+]CC23CC3)CC1 ZINC001246136413 987494244 /nfs/dbraw/zinc/49/42/44/987494244.db2.gz WZAWVIHZGWSKSY-MCIGGMRASA-N 2 0 224.348 1.286 20 0 BDADRP C([NH2+][C@H]1C[C@H]2C[C@H]2C1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001246143354 987496845 /nfs/dbraw/zinc/49/68/45/987496845.db2.gz JUWAOVMHYJCGIR-RQJABVFESA-N 2 0 249.402 1.249 20 0 BDADRP C([NH2+][C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001246143352 987498485 /nfs/dbraw/zinc/49/84/85/987498485.db2.gz JUWAOVMHYJCGIR-CRWXNKLISA-N 2 0 249.402 1.249 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCCCCC[NH3+])CC[NH2+]1 ZINC001246163465 987526664 /nfs/dbraw/zinc/52/66/64/987526664.db2.gz IWGKPVQIODYRKS-NWDGAFQWSA-N 3 0 213.369 1.236 20 0 BDADRP CCC[C@@H](C)[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001246146998 987503441 /nfs/dbraw/zinc/50/34/41/987503441.db2.gz PCOOTLKPKGZZCC-CHWSQXEVSA-N 2 0 239.407 1.639 20 0 BDADRP CC[C@@H](CC(C)C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@@H]1COC2 ZINC001246144073 987504845 /nfs/dbraw/zinc/50/48/45/987504845.db2.gz BCJNVNNYZRYRQV-RFQIPJPRSA-N 2 0 240.391 1.635 20 0 BDADRP CCCCC[C@H](C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@@H]1COC2 ZINC001246151075 987510789 /nfs/dbraw/zinc/51/07/89/987510789.db2.gz VTRYNLPCUWXSEY-IGQOVBAYSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C[C@H](O)c2ccccc2)CC[NH2+]1 ZINC001246153817 987516711 /nfs/dbraw/zinc/51/67/11/987516711.db2.gz NYHQFCWDUBEMPY-YUTCNCBUSA-N 2 0 234.343 1.450 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCCC2)CC[NH2+]1 ZINC001246161751 987520204 /nfs/dbraw/zinc/52/02/04/987520204.db2.gz LIEJUDFZZKJMKC-KGLIPLIRSA-N 3 0 239.407 1.593 20 0 BDADRP C[C@H]1CC[C@H]([NH2+]CCCC[NH+]2CCCC2)CN1 ZINC001246162352 987523510 /nfs/dbraw/zinc/52/35/10/987523510.db2.gz OZWGTRDCUMUHBX-KBPBESRZSA-N 2 0 239.407 1.593 20 0 BDADRP CCC[NH+](CCC)CCN[C@@H]1CCC[NH2+]C1 ZINC001246163149 987528395 /nfs/dbraw/zinc/52/83/95/987528395.db2.gz WKFVHTRFFJXAGO-CYBMUJFWSA-N 2 0 227.396 1.450 20 0 BDADRP [NH2+]=C(N[C@H]1CCC[NH2+]C1)c1ccc(F)c(F)c1 ZINC001246175215 987542576 /nfs/dbraw/zinc/54/25/76/987542576.db2.gz IJOLXNZTSXREHK-VIFPVBQESA-N 2 0 239.269 1.632 20 0 BDADRP C[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2O)CC[NH2+]1 ZINC001246187973 987572076 /nfs/dbraw/zinc/57/20/76/987572076.db2.gz RSDLDCLGUIFKNF-QCNOEVLYSA-N 2 0 212.337 1.020 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])CC2)CC[NH2+]1 ZINC001246199949 987593536 /nfs/dbraw/zinc/59/35/36/987593536.db2.gz BYVKCKAZCFOIEX-FVCCEPFGSA-N 3 0 225.380 1.234 20 0 BDADRP O=C1C[C@@H]2CC([NH2+]C[C@@H]3CCC[NH2+]C3)C[C@H]2C1 ZINC001246199693 987594851 /nfs/dbraw/zinc/59/48/51/987594851.db2.gz NCNNBMCEFZVGBI-WOPDTQHZSA-N 2 0 236.359 1.333 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001246200661 987596647 /nfs/dbraw/zinc/59/66/47/987596647.db2.gz ALCZLKYYTFLZCM-BFHYXJOUSA-N 2 0 241.423 1.966 20 0 BDADRP C[C@@H]1CC[C@H](n2nc(C[NH3+])c3ccccc32)C[NH2+]1 ZINC001246199437 987596677 /nfs/dbraw/zinc/59/66/77/987596677.db2.gz JXCLXNMOTSURJA-MNOVXSKESA-N 2 0 244.342 1.808 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H](N[C@H]2CC3CC[NH+](CC3)C2)C1 ZINC001246205503 987602262 /nfs/dbraw/zinc/60/22/62/987602262.db2.gz OIMILGLZHUHYOW-MCIONIFRSA-N 2 0 237.391 1.330 20 0 BDADRP CCCC[C@H](CO)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC001246212611 987610117 /nfs/dbraw/zinc/61/01/17/987610117.db2.gz VZBPKWIJDXLMLG-GRYCIOLGSA-N 2 0 214.353 1.268 20 0 BDADRP CCC[C@H](CC)[NH2+]C1CN(C2CC[NH2+]CC2)C1 ZINC001246213952 987611151 /nfs/dbraw/zinc/61/11/51/987611151.db2.gz GTTXSDVEGCQUQE-LBPRGKRZSA-N 2 0 239.407 1.591 20 0 BDADRP CC1(C)C[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)O1 ZINC001246221221 987620059 /nfs/dbraw/zinc/62/00/59/987620059.db2.gz JOOXDODGDPOAPT-AYLPWXGPSA-N 2 0 224.348 1.427 20 0 BDADRP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CO)CC2)CC[NH2+]1 ZINC001246222151 987620625 /nfs/dbraw/zinc/62/06/25/987620625.db2.gz LHVKJBGWSDHBDT-WUHRBBMRSA-N 2 0 226.364 1.268 20 0 BDADRP C[NH2+]CC[C@H](C)[NH2+][C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246226920 987622669 /nfs/dbraw/zinc/62/26/69/987622669.db2.gz SMRLALUFODOSSH-MJBXVCDLSA-N 3 0 239.407 1.496 20 0 BDADRP c1ccc2c(c1)NCC[C@@H]2[NH2+]C1CC[NH2+]CC1 ZINC001246233144 987628067 /nfs/dbraw/zinc/62/80/67/987628067.db2.gz UQLBGAIVBTUOLL-AWEZNQCLSA-N 2 0 231.343 1.885 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N[C@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246232124 987629053 /nfs/dbraw/zinc/62/90/53/987629053.db2.gz WHSSQZNXHROGPA-RFGFWPKPSA-N 2 0 239.407 1.623 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](O)CC2)CC[NH2+]1 ZINC001246231235 987630442 /nfs/dbraw/zinc/63/04/42/987630442.db2.gz PBWNDLQJLXEMIG-KKOKHZNYSA-N 2 0 212.337 1.020 20 0 BDADRP [NH3+]CC[C@@H]1CN([C@H]2CCC[NH2+]C2)c2ccccc21 ZINC001246234468 987632796 /nfs/dbraw/zinc/63/27/96/987632796.db2.gz IJONKEWURHFTCX-OLZOCXBDSA-N 2 0 245.370 1.691 20 0 BDADRP CCCC[C@@H]1C[C@@H](N[C@@H]2CC[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246236481 987635846 /nfs/dbraw/zinc/63/58/46/987635846.db2.gz LFLJSVXCGUNDHM-DGAVXFQQSA-N 2 0 239.407 1.767 20 0 BDADRP C[C@@H]1C[C@H](n2cc3c(n2)CC[C@@H]([NH3+])C3)CC[NH2+]1 ZINC001246238932 987638391 /nfs/dbraw/zinc/63/83/91/987638391.db2.gz QVWJELBWXSNAPG-YUSALJHKSA-N 2 0 234.347 1.012 20 0 BDADRP C[C@@H]1C[C@@H](n2cc3c(n2)CC[C@@H]([NH3+])C3)CC[NH2+]1 ZINC001246238930 987638672 /nfs/dbraw/zinc/63/86/72/987638672.db2.gz QVWJELBWXSNAPG-JLLWLGSASA-N 2 0 234.347 1.012 20 0 BDADRP C[C@H]([NH3+])c1ccn(C2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC001246249067 987648207 /nfs/dbraw/zinc/64/82/07/987648207.db2.gz NRECFEJUIUQJGC-GKDVJIACSA-N 2 0 220.320 1.358 20 0 BDADRP C[C@H](C[NH+]1CCC(C)CC1)N[C@@H]1CCC[NH2+]C1 ZINC001246255187 987653336 /nfs/dbraw/zinc/65/33/36/987653336.db2.gz JQQAWTIWUPVPFX-ZIAGYGMSSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)C1CC[NH2+]CC1 ZINC001246254620 987653870 /nfs/dbraw/zinc/65/38/70/987653870.db2.gz ZGABNNYBIKRNHQ-DGCLKSJQSA-N 3 0 225.380 1.106 20 0 BDADRP C[NH+](C)CCC(C)(C)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246262564 987658330 /nfs/dbraw/zinc/65/83/30/987658330.db2.gz IGEAXSNFXOMFEN-FUNVUKJBSA-N 2 0 239.407 1.589 20 0 BDADRP CCNCC[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246268755 987663010 /nfs/dbraw/zinc/66/30/10/987663010.db2.gz APIMTXCWRQCSSV-UHFFFAOYSA-N 2 0 239.407 1.498 20 0 BDADRP CC[C@@H]1C[C@H](N[C@H]2CC[C@H]([NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246275613 987669535 /nfs/dbraw/zinc/66/95/35/987669535.db2.gz AWTSERPHDZGDCV-PDWCTOEPSA-N 2 0 239.407 1.765 20 0 BDADRP CC(C)[C@@H]1C[C@H](NCC[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC001246274955 987670874 /nfs/dbraw/zinc/67/08/74/987670874.db2.gz XMJGHYMWUWPIST-MCIONIFRSA-N 2 0 239.407 1.495 20 0 BDADRP CC(C)(C)[C@@H]1C[C@H](N[C@@H]2CCC[C@H]2[NH3+])CC[NH2+]1 ZINC001246278633 987671920 /nfs/dbraw/zinc/67/19/20/987671920.db2.gz KRVKLIAYYRVWOC-LPWJVIDDSA-N 2 0 239.407 1.623 20 0 BDADRP C[NH2+]CC[C@H](C)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC001246277437 987673041 /nfs/dbraw/zinc/67/30/41/987673041.db2.gz JEHQGEAHYMMWCV-SWLSCSKDSA-N 2 0 247.386 1.289 20 0 BDADRP CCCC1CCC([NH2+]CCN(C)CC[NH3+])CC1 ZINC001246284388 987677827 /nfs/dbraw/zinc/67/78/27/987677827.db2.gz MMWMJSFFXDWCDC-UHFFFAOYSA-N 2 0 241.423 1.825 20 0 BDADRP CCOC(=O)CC[C@@H](C)[NH2+]C[C@H]([NH3+])CC ZINC001246312754 987703225 /nfs/dbraw/zinc/70/32/25/987703225.db2.gz HQHSKHJNNWCOAJ-NXEZZACHSA-N 2 0 216.325 1.045 20 0 BDADRP CCOC(=O)CC[C@H](C)[NH2+]C[C@@H]([NH3+])CC ZINC001246312755 987705203 /nfs/dbraw/zinc/70/52/03/987705203.db2.gz HQHSKHJNNWCOAJ-UWVGGRQHSA-N 2 0 216.325 1.045 20 0 BDADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[C@H](C)[NH3+])C1 ZINC001246304871 987705296 /nfs/dbraw/zinc/70/52/96/987705296.db2.gz MSGQHABWXBBAKE-AXFHLTTASA-N 2 0 228.336 1.045 20 0 BDADRP CC(C)C[C@H]([NH3+])CNC1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246309277 987707500 /nfs/dbraw/zinc/70/75/00/987707500.db2.gz JFCKSJWLHNKXFH-UTUOFQBUSA-N 2 0 227.396 1.478 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246314021 987714501 /nfs/dbraw/zinc/71/45/01/987714501.db2.gz MWFXSGNMWXCFED-IYXRBSQSSA-N 3 0 239.407 1.626 20 0 BDADRP Oc1ccc2c(c1)C[C@H]([NH2+]C1CC[NH2+]CC1)CC2 ZINC001246313061 987716533 /nfs/dbraw/zinc/71/65/33/987716533.db2.gz XLBSYEIXBOFFNE-CQSZACIVSA-N 2 0 246.354 1.591 20 0 BDADRP CC[C@H]([NH3+])CN[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246315828 987721019 /nfs/dbraw/zinc/72/10/19/987721019.db2.gz WBRWKJQECHNHPR-SRVKXCTJSA-N 2 0 227.396 1.480 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@H](C)CCC(=O)OC(C)C ZINC001246316397 987721322 /nfs/dbraw/zinc/72/13/22/987721322.db2.gz ZGVMTLUIQGIZCO-GHMZBOCLSA-N 2 0 230.352 1.434 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@H]1CCOC(C)(C)C1 ZINC001246318672 987724503 /nfs/dbraw/zinc/72/45/03/987724503.db2.gz TVLZIUILFQCSLH-UWVGGRQHSA-N 2 0 200.326 1.271 20 0 BDADRP [NH3+]Cc1cccc2ncn(C3CC[NH2+]CC3)c21 ZINC001246320476 987728808 /nfs/dbraw/zinc/72/88/08/987728808.db2.gz IZNVDVRALWKWFL-UHFFFAOYSA-N 2 0 230.315 1.420 20 0 BDADRP CCCc1cc(C[NH3+])nn1C1CC[NH2+]CC1 ZINC001246321488 987729448 /nfs/dbraw/zinc/72/94/48/987729448.db2.gz OATDFTUFOKYEHP-UHFFFAOYSA-N 2 0 222.336 1.219 20 0 BDADRP CCCc1cc(C[NH3+])nn1[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246324685 987731334 /nfs/dbraw/zinc/73/13/34/987731334.db2.gz ZFSYOJJBWHHEHW-MFKMUULPSA-N 2 0 236.363 1.607 20 0 BDADRP C[C@@H]1CC[C@H](n2cc3ccc(C[NH3+])cc3n2)C[NH2+]1 ZINC001246326914 987731538 /nfs/dbraw/zinc/73/15/38/987731538.db2.gz XQWIKSRKMZOUMK-MFKMUULPSA-N 2 0 244.342 1.808 20 0 BDADRP C[C@@H]1CC[C@@H](n2cc3ccc(C[NH3+])cc3n2)C[NH2+]1 ZINC001246326915 987732352 /nfs/dbraw/zinc/73/23/52/987732352.db2.gz XQWIKSRKMZOUMK-ZWNOBZJWSA-N 2 0 244.342 1.808 20 0 BDADRP CC(=O)CC(C)(C)[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC001246329055 987734879 /nfs/dbraw/zinc/73/48/79/987734879.db2.gz NBBBENUCEBTESN-ONGXEEELSA-N 2 0 212.337 1.474 20 0 BDADRP C[C@@H]1C[C@@H](N[C@@H]2CCC[NH2+][C@@H]2C)C[C@H](C)[NH2+]1 ZINC001246329085 987736158 /nfs/dbraw/zinc/73/61/58/987736158.db2.gz OKDISISQJBTOHP-NZEXEKPDSA-N 2 0 225.380 1.246 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246330742 987738357 /nfs/dbraw/zinc/73/83/57/987738357.db2.gz GBNHEDJAKGVLLE-UPJWGTAASA-N 2 0 227.396 1.336 20 0 BDADRP CC[C@@H]1C[C@@H](N[C@H]2C[NH2+]CCC2(C)C)CC[NH2+]1 ZINC001246334522 987741758 /nfs/dbraw/zinc/74/17/58/987741758.db2.gz ZXWDGBGUHLEZEF-AGIUHOORSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCC2CCC(O)CC2)CC[NH2+]1 ZINC001246336602 987745081 /nfs/dbraw/zinc/74/50/81/987745081.db2.gz PRQUSJAVRUQCHJ-AHPWVWPOSA-N 2 0 240.391 1.658 20 0 BDADRP [NH3+]CCC1CCC([NH2+]C2CC[NH2+]CC2)CC1 ZINC001246337938 987745332 /nfs/dbraw/zinc/74/53/32/987745332.db2.gz YFVNFLPOIDGMML-UHFFFAOYSA-N 3 0 225.380 1.236 20 0 BDADRP C[C@H]1C[C@H](n2cc3c(n2)CC[C@H]([NH3+])C3)CC[NH2+]1 ZINC001246352405 987760151 /nfs/dbraw/zinc/76/01/51/987760151.db2.gz QVWJELBWXSNAPG-ZMLRMANQSA-N 2 0 234.347 1.012 20 0 BDADRP C[C@H]1C[C@H](NCC[C@H]2CCC[N@@H+]2C)CC[NH2+]1 ZINC001246358427 987764160 /nfs/dbraw/zinc/76/41/60/987764160.db2.gz FEKHPZJSEBVIAY-YNEHKIRRSA-N 3 0 225.380 1.201 20 0 BDADRP CC(C)(C)[C@@H]1C[C@H](NC2(C[NH3+])CCC2)CC[NH2+]1 ZINC001246356744 987765151 /nfs/dbraw/zinc/76/51/51/987765151.db2.gz QGSVIYRVMKRIJF-NEPJUHHUSA-N 2 0 239.407 1.624 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2CC[N@H+](CC3CC3)C2)CC[NH2+]1 ZINC001246359827 987767034 /nfs/dbraw/zinc/76/70/34/987767034.db2.gz CZFSFNZIVRVDTO-BNOWGMLFSA-N 2 0 237.391 1.201 20 0 BDADRP CC(C)C[N@@H+]1CC[C@H](N[C@@H]2CCC[NH2+]C2)C1 ZINC001246361339 987767092 /nfs/dbraw/zinc/76/70/92/987767092.db2.gz LCBTZPWVMIDGOH-OLZOCXBDSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@H]1CC[C@H](n2c(C[NH3+])cc3ccncc32)C[NH2+]1 ZINC001246362512 987768137 /nfs/dbraw/zinc/76/81/37/987768137.db2.gz MQQLKIJEJLBNQU-JQWIXIFHSA-N 2 0 244.342 1.808 20 0 BDADRP C[C@H]1CC[C@@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246358720 987768820 /nfs/dbraw/zinc/76/88/20/987768820.db2.gz GOIOPBIQEVZLAB-FRRDWIJNSA-N 2 0 237.391 1.249 20 0 BDADRP [NH3+]Cc1cc2ccncc2n1[C@@H]1CCC[NH2+]C1 ZINC001246364905 987771443 /nfs/dbraw/zinc/77/14/43/987771443.db2.gz VFGIQYBEFWGTOE-LLVKDONJSA-N 2 0 230.315 1.420 20 0 BDADRP CC(C)C1CCC([NH2+]CCNCC[NH3+])CC1 ZINC001246407765 987786152 /nfs/dbraw/zinc/78/61/52/987786152.db2.gz ZLAIATOMONXGNG-UHFFFAOYSA-N 2 0 227.396 1.339 20 0 BDADRP CC[C@@H](Cc1ccccc1)[NH2+]CCNCC[NH3+] ZINC001246405239 987788961 /nfs/dbraw/zinc/78/89/61/987788961.db2.gz NICNRCZRALOEIF-AWEZNQCLSA-N 2 0 235.375 1.146 20 0 BDADRP C[C@]1([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCOC1 ZINC001246444522 987799809 /nfs/dbraw/zinc/79/98/09/987799809.db2.gz BZBJMJCYCXEMCM-MBYGNEARSA-N 2 0 210.321 1.038 20 0 BDADRP CC[C@H](Cc1ccccc1)[NH2+][C@H]1CC12C[NH2+]C2 ZINC001246442801 987799911 /nfs/dbraw/zinc/79/99/11/987799911.db2.gz DWJUTXREBLMLJE-KGLIPLIRSA-N 2 0 230.355 1.959 20 0 BDADRP CC(C)COCC[C@H](C)[NH2+][C@H]1CC12C[NH2+]C2 ZINC001246444334 987803444 /nfs/dbraw/zinc/80/34/44/987803444.db2.gz KHLQUCOHVOTJDU-RYUDHWBXSA-N 2 0 226.364 1.389 20 0 BDADRP CC1(C)CCC[C@@H]([NH2+][C@@H]2CC23C[NH2+]C3)C1 ZINC001246448479 987806773 /nfs/dbraw/zinc/80/67/73/987806773.db2.gz YUIWRLJOLUWKOQ-GHMZBOCLSA-N 2 0 208.349 1.907 20 0 BDADRP CC1(C)CC([NH2+][C@H]2CC23C[NH2+]C3)CC(C)(C)O1 ZINC001246446691 987807488 /nfs/dbraw/zinc/80/74/88/987807488.db2.gz SVSAMQMUKOGOST-NSHDSACASA-N 2 0 238.375 1.674 20 0 BDADRP C[C@H]1CC[C@@H]([NH2+]CCCNCCC[NH3+])C1 ZINC001246453833 987810514 /nfs/dbraw/zinc/81/05/14/987810514.db2.gz PYVRYOSAMDOOMH-NWDGAFQWSA-N 2 0 213.369 1.093 20 0 BDADRP CC[C@@]1(CN[C@@H]2CC[NH2+][C@@H](C)C2)CCC[NH2+]1 ZINC001246456558 987812203 /nfs/dbraw/zinc/81/22/03/987812203.db2.gz MOSHOMJRZVYPRE-XQQFMLRXSA-N 2 0 225.380 1.249 20 0 BDADRP CC[C@H]1CC[C@@H]([NH2+]CCC[NH2+]CCCC[NH3+])C1 ZINC001246455501 987813840 /nfs/dbraw/zinc/81/38/40/987813840.db2.gz GBAFGRBXJTVMTD-UONOGXRCSA-N 3 0 241.423 1.873 20 0 BDADRP CC[C@]1(N[C@@H]2CC[NH2+]C(C)(C)C2)CC[NH2+]C1 ZINC001246458505 987817392 /nfs/dbraw/zinc/81/73/92/987817392.db2.gz GZEOFAWXUDUVQD-YPMHNXCESA-N 2 0 225.380 1.249 20 0 BDADRP CC[C@@]1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[NH2+]1 ZINC001246458094 987817587 /nfs/dbraw/zinc/81/75/87/987817587.db2.gz WFOUSHSKFMEERU-PIGZVRMJSA-N 2 0 237.391 1.391 20 0 BDADRP C[C@@H](CC1CC1)[NH2+]CCC[NH2+]CCCC[NH3+] ZINC001246458917 987817597 /nfs/dbraw/zinc/81/75/97/987817597.db2.gz WPSKPHFBYKQLGU-LBPRGKRZSA-N 3 0 227.396 1.483 20 0 BDADRP CC[C@@H]1C[C@@H](NC[C@]2(CC)CCC[NH2+]2)CC[NH2+]1 ZINC001246458591 987817648 /nfs/dbraw/zinc/81/76/48/987817648.db2.gz ZUNLPTIWDHPKEL-RDBSUJKOSA-N 2 0 239.407 1.639 20 0 BDADRP C[C@@H]1C[C@H](Nc2ccc(C[NH3+])c(F)c2)CC[NH2+]1 ZINC001246461071 987820473 /nfs/dbraw/zinc/82/04/73/987820473.db2.gz BXQWWKTVKIEBQD-BXKDBHETSA-N 2 0 237.322 1.837 20 0 BDADRP C[C@@H]1CC[C@H](Nc2ccc(C[NH3+])c(F)c2)C[NH2+]1 ZINC001246465361 987822044 /nfs/dbraw/zinc/82/20/44/987822044.db2.gz WTOHVDZYIZJHGD-SKDRFNHKSA-N 2 0 237.322 1.837 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2COc3cnccc32)CC[NH2+]1 ZINC001246471078 987827900 /nfs/dbraw/zinc/82/79/00/987827900.db2.gz PYSXWBULAFYGFL-GRYCIOLGSA-N 2 0 247.342 1.288 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2COc3cnccc32)CC[NH2+]1 ZINC001246471079 987829263 /nfs/dbraw/zinc/82/92/63/987829263.db2.gz PYSXWBULAFYGFL-IJLUTSLNSA-N 2 0 247.342 1.288 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)C1 ZINC001246474975 987831133 /nfs/dbraw/zinc/83/11/33/987831133.db2.gz DGLVTWNHGIJPOQ-LOWDOPEQSA-N 2 0 244.354 1.481 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)CC[NH2+]1 ZINC001246475971 987834154 /nfs/dbraw/zinc/83/41/54/987834154.db2.gz IKIWYUYPWPUASS-LOWDOPEQSA-N 3 0 243.370 1.054 20 0 BDADRP [NH3+]C[C@@H]1Cc2ccccc2CN1[C@H]1CCC[NH2+]C1 ZINC001246476425 987834517 /nfs/dbraw/zinc/83/45/17/987834517.db2.gz BOUAEVWDELXKEA-GJZGRUSLSA-N 2 0 245.370 1.124 20 0 BDADRP c1cc(C[NH2+]C2CC[NH2+]CC2)c2nccnc2c1 ZINC001246476431 987834760 /nfs/dbraw/zinc/83/47/60/987834760.db2.gz BPYBQXUIEYPOLP-UHFFFAOYSA-N 2 0 242.326 1.471 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@H]2CCCC[C@H]2[NH3+])CC1 ZINC001246480286 987838220 /nfs/dbraw/zinc/83/82/20/987838220.db2.gz YHQISJHCJITDLT-PQAZSJQKSA-N 3 0 239.407 1.719 20 0 BDADRP CC[C@H]1C[C@@H](N[C@H]2CCCC[C@H]2[NH3+])CC[NH2+]1 ZINC001246478338 987838433 /nfs/dbraw/zinc/83/84/33/987838433.db2.gz NZKOJHARIOAQOQ-RVMXOQNASA-N 2 0 225.380 1.377 20 0 BDADRP C[C@H](Cc1ccccn1)[NH2+][C@H]1CCCC[C@H]1[NH3+] ZINC001246479390 987838968 /nfs/dbraw/zinc/83/89/68/987838968.db2.gz UWVZHAYJLZKZMG-BNOWGMLFSA-N 2 0 233.359 1.872 20 0 BDADRP CC(C)OCC[C@H](C)[NH2+]C[C@@H]1CC[NH2+]C[C@@H]1F ZINC001246478241 987839130 /nfs/dbraw/zinc/83/91/30/987839130.db2.gz VODNKQZUGVSYHA-AVGNSLFASA-N 2 0 246.370 1.727 20 0 BDADRP C[NH+](C)C1CCC(N[C@@H]2C[NH2+]CC[C@@H]2F)CC1 ZINC001246482008 987839976 /nfs/dbraw/zinc/83/99/76/987839976.db2.gz KUYWNLLPHQYEOF-IFWUJCSASA-N 2 0 243.370 1.149 20 0 BDADRP [NH3+]CCC[C@@H]1CCCCN([C@@H]2CCC[NH2+]C2)C1 ZINC001246495054 987851107 /nfs/dbraw/zinc/85/11/07/987851107.db2.gz FBQSUIMQEBCPCO-UONOGXRCSA-N 2 0 239.407 1.579 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C[C@@H](CO)c2ccccc2)CC[NH2+]1 ZINC001246506130 987858367 /nfs/dbraw/zinc/85/83/67/987858367.db2.gz VQDLVXDLCCDSOO-QEJZJMRPSA-N 2 0 248.370 1.493 20 0 BDADRP CC(C)N(C1CC[NH2+]CC1)C(C)(C)C[NH3+] ZINC001246504755 987858425 /nfs/dbraw/zinc/85/84/25/987858425.db2.gz RXFAJYWKJRXSOR-UHFFFAOYSA-N 2 0 213.369 1.186 20 0 BDADRP C[C@H]1C[C@H](N[C@H](C[NH3+])c2ccccc2)CC[NH2+]1 ZINC001246507234 987858712 /nfs/dbraw/zinc/85/87/12/987858712.db2.gz LYVKZVNRXZWOJK-IACUBPJLSA-N 2 0 233.359 1.417 20 0 BDADRP C[C@H]1C[C@@H](NC[C@@H]2Cc3ccccc3C[NH2+]2)C[NH2+]1 ZINC001246504923 987858858 /nfs/dbraw/zinc/85/88/58/987858858.db2.gz GPKNZODMKIPFGV-GLQYFDAESA-N 2 0 245.370 1.041 20 0 BDADRP C1CC1([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC[NH2+]CC1 ZINC001246505370 987859474 /nfs/dbraw/zinc/85/94/74/987859474.db2.gz VDQNLZYNLNIMOZ-PBWFPOADSA-N 3 0 249.402 1.391 20 0 BDADRP CNc1cccc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC001246505070 987860105 /nfs/dbraw/zinc/86/01/05/987860105.db2.gz LLSKGSXJPZIEHS-BXUZGUMPSA-N 2 0 233.359 1.958 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@]2(C)CCCOC2)CC[NH2+]1 ZINC001246511778 987861713 /nfs/dbraw/zinc/86/17/13/987861713.db2.gz RRXYHFOAHIDQBU-UTUOFQBUSA-N 2 0 212.337 1.286 20 0 BDADRP CCCC[C@@H](C)[NH2+][C@@H](CCCC[NH3+])C(=O)NC ZINC001246513949 987862918 /nfs/dbraw/zinc/86/29/18/987862918.db2.gz XGHRBNRBPMKSSB-NEPJUHHUSA-N 2 0 243.395 1.398 20 0 BDADRP CC(C)C[C@@H](C[NH3+])N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246507837 987863785 /nfs/dbraw/zinc/86/37/85/987863785.db2.gz ZKKZAVBTCZTRFZ-DGAVXFQQSA-N 2 0 239.407 1.623 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC[NH2+]CC1)C2 ZINC001246522320 987873616 /nfs/dbraw/zinc/87/36/16/987873616.db2.gz CEIRDHNYTSQOBS-WDNDVIMCSA-N 2 0 237.391 1.297 20 0 BDADRP C[C@]1([NH3+])CCN([C@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC001246527485 987883994 /nfs/dbraw/zinc/88/39/94/987883994.db2.gz DOVVHOMPMKWHBA-RYUDHWBXSA-N 2 0 223.364 1.084 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N1CC[C@@](C)([NH3+])C1 ZINC001246529844 987886201 /nfs/dbraw/zinc/88/62/01/987886201.db2.gz MFDVCQAABHPFQZ-CHWSQXEVSA-N 2 0 227.396 1.530 20 0 BDADRP CCCC[C@@H]1C[C@H](N2C[C@H]([NH3+])[C@@H](F)C2)CC[NH2+]1 ZINC001246533760 987889439 /nfs/dbraw/zinc/88/94/39/987889439.db2.gz NZQQLHGNIDZUOT-NDBYEHHHSA-N 2 0 243.370 1.278 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2CCC[C@](C)([NH3+])C2)CC[NH2+]1 ZINC001246537862 987896902 /nfs/dbraw/zinc/89/69/02/987896902.db2.gz DLULPEUKZNHSER-RDBSUJKOSA-N 2 0 239.407 1.576 20 0 BDADRP C[NH2+]C1CCC([N@@H+]2CCC[C@H]([NH3+])CC2)CC1 ZINC001246539062 987899261 /nfs/dbraw/zinc/89/92/61/987899261.db2.gz AOXXUCHCNWMMAO-HIFPTAJRSA-N 3 0 225.380 1.330 20 0 BDADRP C[C@H]1C[C@@H]([N@@H+]2CCC[C@@H]([NH3+])CC2)CCO1 ZINC001246543105 987908070 /nfs/dbraw/zinc/90/80/70/987908070.db2.gz TVLOEZJUKZTTEZ-TUAOUCFPSA-N 2 0 212.337 1.367 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2C[C@H](C)[C@H](C[NH3+])C2)CC[NH2+]1 ZINC001246542556 987908510 /nfs/dbraw/zinc/90/85/10/987908510.db2.gz QKRPSKKHOHWWTG-DGAVXFQQSA-N 2 0 239.407 1.290 20 0 BDADRP C[C@H]1C[N@@H+]([C@H]2C[C@@H]3[C@H](C2)C3(C)C)C[C@H]1C[NH3+] ZINC001246541022 987911155 /nfs/dbraw/zinc/91/11/55/987911155.db2.gz LKDDVCNUKTUBGH-OFTGVCEQSA-N 2 0 222.376 1.948 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCN1[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246544595 987916468 /nfs/dbraw/zinc/91/64/68/987916468.db2.gz RISNVJHQZXBAFQ-NAWOPXAZSA-N 2 0 223.364 1.081 20 0 BDADRP C[C@H]1C[N@@H+]([C@H]2Cc3cccc(F)c3C2)C[C@H]1C[NH3+] ZINC001246544761 987917783 /nfs/dbraw/zinc/91/77/83/987917783.db2.gz YQKURBTUXUDTEQ-UHTWSYAYSA-N 2 0 248.345 1.820 20 0 BDADRP [NH3+]C[C@@]1(O)CCC[N@@H+]([C@H]2CCCSC2)CC1 ZINC001246544590 987922566 /nfs/dbraw/zinc/92/25/66/987922566.db2.gz RGAHBCGCVQIITC-NWDGAFQWSA-N 2 0 244.404 1.058 20 0 BDADRP C[C@@H]1CC[C@@H](N2CCC[C@@](F)(C[NH3+])CC2)C[NH2+]1 ZINC001246546523 987928145 /nfs/dbraw/zinc/92/81/45/987928145.db2.gz GTJBCORDUCTAED-UPJWGTAASA-N 2 0 243.370 1.280 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N1CC[C@@H]([NH3+])[C@H]1C ZINC001246546635 987931150 /nfs/dbraw/zinc/93/11/50/987931150.db2.gz BAWYGHBNSZWSLJ-YNEHKIRRSA-N 2 0 227.396 1.528 20 0 BDADRP C[C@@H]1CC(N2CC[C@H](C)[C@H](C[NH3+])C2)C[C@@H](C)[NH2+]1 ZINC001246549692 987932874 /nfs/dbraw/zinc/93/28/74/987932874.db2.gz HQHALNSEQRGOFV-UMSGYPCISA-N 2 0 239.407 1.432 20 0 BDADRP C[C@@H](Cc1cccnc1)[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001246548196 987939495 /nfs/dbraw/zinc/93/94/95/987939495.db2.gz SPLYOHDTJUXIPH-JSGCOSHPSA-N 2 0 233.359 1.826 20 0 BDADRP CC1CC[NH+](CCCNc2cc(N)ncn2)CC1 ZINC001321565887 987940958 /nfs/dbraw/zinc/94/09/58/987940958.db2.gz FHVYWUIEYQRKRH-UHFFFAOYSA-N 2 0 249.362 1.593 20 0 BDADRP C[C@H]1CC[C@@H](CN)[N@@H+]1C1CCC([NH+](C)C)CC1 ZINC001246550900 987945985 /nfs/dbraw/zinc/94/59/85/987945985.db2.gz ZIJZSRFAIZAFOQ-ABXWRUBCSA-N 2 0 239.407 1.671 20 0 BDADRP CCN(CC)C(=O)C[C@@H](C)N1CC[C@@H]([NH3+])[C@H]1C ZINC001246552822 987951027 /nfs/dbraw/zinc/95/10/27/987951027.db2.gz ZZDVRYCPTOXKEX-IJLUTSLNSA-N 2 0 241.379 1.055 20 0 BDADRP [NH3+]C[C@@]1(F)CCC[N@@H+]([C@H]2CCC[NH2+]CC2)CC1 ZINC001246552951 987952504 /nfs/dbraw/zinc/95/25/04/987952504.db2.gz WLRZJHXSTBGJDS-QWHCGFSZSA-N 3 0 243.370 1.281 20 0 BDADRP CC[C@H]1C[C@@H]([N@@H+]2CC[C@@H]([NH3+])[C@H]2C)CCO1 ZINC001246552697 987955799 /nfs/dbraw/zinc/95/57/99/987955799.db2.gz YXKZYXSYCOMAKD-NOOOWODRSA-N 2 0 212.337 1.366 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH3+])N([C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246554185 987956555 /nfs/dbraw/zinc/95/65/55/987956555.db2.gz CZHORIZLVRHWMZ-DGTMBMJNSA-N 2 0 237.391 1.329 20 0 BDADRP CC[N@@H+]1CC[C@@H](N2CCC[C@](C)([NH3+])CC2)C1 ZINC001246554569 987956753 /nfs/dbraw/zinc/95/67/53/987956753.db2.gz WPAILHBBSMCLQY-OLZOCXBDSA-N 2 0 225.380 1.284 20 0 BDADRP CC[N@@H+]1CC[C@H](N2CCC[C@@](C)([NH3+])CC2)C1 ZINC001246554570 987957427 /nfs/dbraw/zinc/95/74/27/987957427.db2.gz WPAILHBBSMCLQY-QWHCGFSZSA-N 2 0 225.380 1.284 20 0 BDADRP C[N@@H+]1CCC[C@H](N2CCC[C@@](C)([NH3+])CC2)C1 ZINC001246553444 987963265 /nfs/dbraw/zinc/96/32/65/987963265.db2.gz SFTVROFWFAIXRX-QWHCGFSZSA-N 2 0 225.380 1.284 20 0 BDADRP C[C@@H]1C[C@H]([N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)CCO1 ZINC001246555359 987971168 /nfs/dbraw/zinc/97/11/68/987971168.db2.gz DUEHSHMGSRWCKP-RFQIPJPRSA-N 2 0 240.391 1.861 20 0 BDADRP CC[C@@H]1C[C@@H](N2CCCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246557781 987974238 /nfs/dbraw/zinc/97/42/38/987974238.db2.gz HNQYGYQFOHOCKY-UPJWGTAASA-N 2 0 225.380 1.330 20 0 BDADRP CC(C)CC[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246557839 987976099 /nfs/dbraw/zinc/97/60/99/987976099.db2.gz IWPARWSYGYTLTE-QJPTWQEYSA-N 2 0 214.353 1.205 20 0 BDADRP CCC[C@H](C)CC[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246561536 987998159 /nfs/dbraw/zinc/99/81/59/987998159.db2.gz VPRROJAWHZFXBC-IGQOVBAYSA-N 2 0 242.407 1.985 20 0 BDADRP C[C@@H]1C[C@H](N2CCC(F)(F)[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC001246562206 988002410 /nfs/dbraw/zinc/00/24/10/988002410.db2.gz YJFIFTNROVUDTA-OUAUKWLOSA-N 2 0 247.333 1.043 20 0 BDADRP C[C@H]1C[N@@H+](C2C[C@@H]3C=C[C@H](C2)[NH2+]3)CCC[C@H]1C[NH3+] ZINC001246562446 988005025 /nfs/dbraw/zinc/00/50/25/988005025.db2.gz MWQYSBXKPAQZQO-JZAZDWQXSA-N 3 0 249.402 1.352 20 0 BDADRP C[C@@H]1[C@H](C[NH3+])CCCN1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246563661 988005494 /nfs/dbraw/zinc/00/54/94/988005494.db2.gz LGOUDTCPOPQCIO-ZBBUEOHVSA-N 2 0 237.391 1.329 20 0 BDADRP C[C@H]1CC[N@@H+](C2CCN(C)CC2)CC[C@H]1C[NH3+] ZINC001246562716 988006962 /nfs/dbraw/zinc/00/69/62/988006962.db2.gz WESDKQWPPKKEHV-STQMWFEESA-N 2 0 239.407 1.387 20 0 BDADRP C[C@@H]1C[N@@H+]([C@H]2CCCOC2)CCC[C@H]1C[NH3+] ZINC001246563045 988008515 /nfs/dbraw/zinc/00/85/15/988008515.db2.gz CAPJDRAFAIYQAM-AGIUHOORSA-N 2 0 226.364 1.472 20 0 BDADRP C[NH2+]C[C@@H](C)CN[C@@H](C)c1cc(C)nn1C ZINC001118122262 988025338 /nfs/dbraw/zinc/02/53/38/988025338.db2.gz SGUIYHVGOHUGJN-KOLCDFICSA-N 2 0 224.352 1.235 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]CC[C@H](C)[NH2+]C)C1(C)C ZINC001118122049 988026108 /nfs/dbraw/zinc/02/61/08/988026108.db2.gz NGOZMBUCKLFCHM-QJPTWQEYSA-N 2 0 228.380 1.778 20 0 BDADRP CC[C@@H]1C[C@@H](N2C[C@@H]([NH3+])CC(F)(F)C2)CC[NH2+]1 ZINC001246572040 988058653 /nfs/dbraw/zinc/05/86/53/988058653.db2.gz JTFJEXZWOWAQSJ-AXFHLTTASA-N 2 0 247.333 1.185 20 0 BDADRP C[C@@H]1C[N@@H+]([C@H]2CCC[NH2+]CC2)CCC[C@@H]1C[NH3+] ZINC001246571852 988062688 /nfs/dbraw/zinc/06/26/88/988062688.db2.gz XJUCSLJADULJPP-MCIONIFRSA-N 3 0 239.407 1.435 20 0 BDADRP CC[C@H](Cc1ccccc1)[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246578752 988088952 /nfs/dbraw/zinc/08/89/52/988088952.db2.gz BXMXIIGFXJPUJO-ZNMIVQPWSA-N 2 0 248.370 1.259 20 0 BDADRP C[NH+](C)C1CCC(N2C[C@@H]([NH3+])C[C@H](F)C2)CC1 ZINC001246579797 988099206 /nfs/dbraw/zinc/09/92/06/988099206.db2.gz GXOWLKADULLBKX-ZSVAQUKISA-N 2 0 243.370 1.230 20 0 BDADRP C[C@H]1CC[C@@H](N2CCC(CC[NH3+])CC2)C[NH2+]1 ZINC001246581577 988110210 /nfs/dbraw/zinc/11/02/10/988110210.db2.gz RTIZGAVJSPUBTP-WCQYABFASA-N 2 0 225.380 1.188 20 0 BDADRP C[C@H]1C[C@@H](N2CCCC[C@@](F)(C[NH3+])C2)CC[NH2+]1 ZINC001246582185 988110316 /nfs/dbraw/zinc/11/03/16/988110316.db2.gz RIHXGEIVJAFOHR-RWMBFGLXSA-N 2 0 243.370 1.280 20 0 BDADRP C[NH2+]CC[C@H](C)[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246582672 988121240 /nfs/dbraw/zinc/12/12/40/988121240.db2.gz SBMDWPVZQGNKIC-STQMWFEESA-N 3 0 227.396 1.435 20 0 BDADRP C[C@H]1C[C@H]([N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CC(C)(C)C1 ZINC001246586564 988148192 /nfs/dbraw/zinc/14/81/92/988148192.db2.gz RGSBJDUSWQZTGG-ZDEQEGDKSA-N 2 0 240.391 1.453 20 0 BDADRP CCCC1CC[NH+](C[C@](C)(O)C[NH2+]C)CC1 ZINC001118251029 988151767 /nfs/dbraw/zinc/15/17/67/988151767.db2.gz DTOBTMNWWPCAPP-CYBMUJFWSA-N 2 0 228.380 1.469 20 0 BDADRP CC(C)CC(CC(C)C)[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246588954 988153786 /nfs/dbraw/zinc/15/37/86/988153786.db2.gz YBPCWYDHSMKMDY-GXTWGEPZSA-N 2 0 242.407 1.699 20 0 BDADRP C[NH2+][C@H](C)CCNC(=O)[C@H]([NH3+])C1CCCCC1 ZINC001118256391 988157995 /nfs/dbraw/zinc/15/79/95/988157995.db2.gz SCGSYNHBBFAKES-ZYHUDNBSSA-N 2 0 241.379 1.008 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH+]2CC(C)(C[NH3+])C2)C1 ZINC001246591778 988178810 /nfs/dbraw/zinc/17/88/10/988178810.db2.gz XPAJQOMSYLLTAD-WDEREUQCSA-N 2 0 212.337 1.225 20 0 BDADRP CC[C@@H]1C[C@H](N2CC[NH2+][C@@H](C)CC2)CC[NH2+]1 ZINC001246596237 988183213 /nfs/dbraw/zinc/18/32/13/988183213.db2.gz PIXPUUBTYDQIDE-YNEHKIRRSA-N 2 0 225.380 1.201 20 0 BDADRP C1C[C@]2(CN1[C@H]1CCCC[NH2+]C1)CCC[NH2+]C2 ZINC001246601878 988202364 /nfs/dbraw/zinc/20/23/64/988202364.db2.gz HPJUEYVZHFCJGE-UONOGXRCSA-N 2 0 237.391 1.204 20 0 BDADRP CC1(C[NH3+])C[NH+](C2Cc3ccccc3C2)C1 ZINC001246603499 988217507 /nfs/dbraw/zinc/21/75/07/988217507.db2.gz ZELTUXYPSYMLMV-UHFFFAOYSA-N 2 0 216.328 1.434 20 0 BDADRP C[NH2+]CC[C@H](C)N1CCC[C@@]12CCC[NH2+]C2 ZINC001246605773 988217875 /nfs/dbraw/zinc/21/78/75/988217875.db2.gz CXPXUCLHLLSLGM-QWHCGFSZSA-N 2 0 225.380 1.202 20 0 BDADRP C[C@H]1C[C@H]([N@@H+]2CCC[C@@]23CCC[NH2+]C3)CCO1 ZINC001246609688 988221806 /nfs/dbraw/zinc/22/18/06/988221806.db2.gz MSMAHNJHACJBHL-BFHYXJOUSA-N 2 0 238.375 1.772 20 0 BDADRP CC1(C)C[C@H](N2CCC[C@]23CCC[NH2+]C3)CO1 ZINC001246607611 988230701 /nfs/dbraw/zinc/23/07/01/988230701.db2.gz GTYDLKRBCWDGST-JSGCOSHPSA-N 2 0 238.375 1.772 20 0 BDADRP C[C@@H]1C[C@H](N2CCC[C@@]23CCC[NH2+]C3)CC[NH2+]1 ZINC001246613376 988240973 /nfs/dbraw/zinc/24/09/73/988240973.db2.gz YUMWIAPGVGDONT-MGPQQGTHSA-N 2 0 237.391 1.345 20 0 BDADRP CCC[C@H](C)[NH+]1CCN(c2ncc[nH]2)CC1 ZINC001118367899 988254053 /nfs/dbraw/zinc/25/40/53/988254053.db2.gz DQWCLVRSTYASMF-NSHDSACASA-N 2 0 222.336 1.720 20 0 BDADRP CCC[C@@H](C)[NH+]1CCN(c2ncc[nH]2)CC1 ZINC001118367898 988258548 /nfs/dbraw/zinc/25/85/48/988258548.db2.gz DQWCLVRSTYASMF-LLVKDONJSA-N 2 0 222.336 1.720 20 0 BDADRP C[C@H]1C[C@H](N2CCC3(CCC[NH2+]3)CC2)CC[NH2+]1 ZINC001246621173 988263687 /nfs/dbraw/zinc/26/36/87/988263687.db2.gz FAJHCBUXCMHOEG-QWHCGFSZSA-N 2 0 237.391 1.345 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N2CC[NH2+]CC23CC3)CC[NH2+]1 ZINC001246626952 988300745 /nfs/dbraw/zinc/30/07/45/988300745.db2.gz UISGASWOJMMWAQ-STQMWFEESA-N 2 0 237.391 1.201 20 0 BDADRP CC1(C)C[C@@H]([N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CCO1 ZINC001246630261 988308984 /nfs/dbraw/zinc/30/89/84/988308984.db2.gz HZZBRRMGGWLIFX-SDDRHHMPSA-N 2 0 224.348 1.380 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001246634550 988317429 /nfs/dbraw/zinc/31/74/29/988317429.db2.gz OFXWDOBFOFUELG-CLRIEMFWSA-N 3 0 237.391 1.295 20 0 BDADRP C[C@H]1C[C@H]([NH+]2CC3(C2)CCCOC3)CC[NH2+]1 ZINC001246637621 988323216 /nfs/dbraw/zinc/32/32/16/988323216.db2.gz HDGSCVUZSXTSRY-NWDGAFQWSA-N 2 0 224.348 1.239 20 0 BDADRP C[NH2+]CC[C@@H](C)N1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001246637490 988324625 /nfs/dbraw/zinc/32/46/25/988324625.db2.gz ZEOZBRQXGYVRMU-ZIAGYGMSSA-N 2 0 239.407 1.593 20 0 BDADRP COC1CCC([N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001246636853 988326018 /nfs/dbraw/zinc/32/60/18/988326018.db2.gz XJTDPPVDIDVSGF-IFWUJCSASA-N 2 0 224.348 1.380 20 0 BDADRP C[C@@H]1CC([N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)C[C@@H](C)O1 ZINC001246641661 988349847 /nfs/dbraw/zinc/34/98/47/988349847.db2.gz WXRZBILFMHUNHE-FPQZTECRSA-N 2 0 224.348 1.379 20 0 BDADRP C1C[C@@H]2[C@@H](CC[N@@H+]2C2CCSCC2)[NH2+]1 ZINC001246642021 988350643 /nfs/dbraw/zinc/35/06/43/988350643.db2.gz ZBDFCWLUHWYWCL-GHMZBOCLSA-N 2 0 212.362 1.318 20 0 BDADRP C1C[C@]2(C[NH2+]1)CCCCN2[C@H]1CCC[NH2+]CC1 ZINC001246650282 988372937 /nfs/dbraw/zinc/37/29/37/988372937.db2.gz SQTVYEDXRAGWHR-KBPBESRZSA-N 2 0 237.391 1.347 20 0 BDADRP C1CO[C@@H]2C[N@@H+](C3CC[NH2+]CC3)CC[C@@H]2C1 ZINC001246648423 988374142 /nfs/dbraw/zinc/37/41/42/988374142.db2.gz PQRBAFVRLFXJNK-WCQYABFASA-N 2 0 224.348 1.239 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@H]3C[C@@]3([NH3+])C1)C2 ZINC001246651331 988377834 /nfs/dbraw/zinc/37/78/34/988377834.db2.gz CUDITRFFZDNZMP-ODXJTPSBSA-N 2 0 235.375 1.035 20 0 BDADRP CCC[NH+]1CCC(N2CC[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001246664345 988402234 /nfs/dbraw/zinc/40/22/34/988402234.db2.gz YTFCMNBWDXBRHZ-GXTWGEPZSA-N 2 0 237.391 1.284 20 0 BDADRP CCCC[C@H]1C[C@@H](N2C[C@H]3C[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC001246674839 988417970 /nfs/dbraw/zinc/41/79/70/988417970.db2.gz BOUISGIWUVRBIX-FQUUOJAGSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@@H]1C[C@@H]([N@H+](C)CC2CC[NH2+]CC2)CC[NH2+]1 ZINC001246677224 988419893 /nfs/dbraw/zinc/41/98/93/988419893.db2.gz HBDADJAJJBAHOK-YPMHNXCESA-N 3 0 225.380 1.058 20 0 BDADRP CCCC[C@H]1C[C@@H](N2C[C@@H]3C[C@H]2C[NH2+]3)CC[NH2+]1 ZINC001246675287 988422408 /nfs/dbraw/zinc/42/24/08/988422408.db2.gz FGCMHDHUGQGTMO-XUXIUFHCSA-N 2 0 237.391 1.343 20 0 BDADRP CC[C@@H]1C[C@H](N(C)[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246680025 988430581 /nfs/dbraw/zinc/43/05/81/988430581.db2.gz SCRRDJVSFVFGCL-JHJVBQTASA-N 2 0 225.380 1.201 20 0 BDADRP CC(C)[C@@H]1CN([C@@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC001246683619 988431933 /nfs/dbraw/zinc/43/19/33/988431933.db2.gz BKFPSWBWSDAMAG-OLZOCXBDSA-N 2 0 225.380 1.058 20 0 BDADRP C1[NH2+][C@H]2C[C@@H]1N(C1CCC3(CCC[NH2+]C3)CC1)C2 ZINC001246686975 988436740 /nfs/dbraw/zinc/43/67/40/988436740.db2.gz CGKCTZSCPKDOFX-LQULJDIASA-N 2 0 249.402 1.345 20 0 BDADRP CC(C)[C@@H]1C[NH2+]CCN1[C@H]1CCCC[NH2+]C1 ZINC001246695922 988440669 /nfs/dbraw/zinc/44/06/69/988440669.db2.gz NJTOSNOVJIFLTE-STQMWFEESA-N 2 0 225.380 1.058 20 0 BDADRP C1[NH2+][C@H]2C[C@@H]1N(C1CCC3(CC[NH2+]CC3)CC1)C2 ZINC001246697119 988440750 /nfs/dbraw/zinc/44/07/50/988440750.db2.gz VYGHWJUETOXGQG-JSGCOSHPSA-N 2 0 249.402 1.345 20 0 BDADRP C[NH2+]C1CCC([N@@H+]2CCNC[C@H]2C(C)C)CC1 ZINC001246696736 988444995 /nfs/dbraw/zinc/44/49/95/988444995.db2.gz PKAVMJPZSNDGMW-RUXDESIVSA-N 2 0 239.407 1.447 20 0 BDADRP CCN(CC[NH+](CC)CC)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246792803 988464779 /nfs/dbraw/zinc/46/47/79/988464779.db2.gz WYXFARDKTUCOQE-ZIAGYGMSSA-N 2 0 241.423 1.791 20 0 BDADRP C[C@@H]1C[C@H]([N@H+](C)CCC2CC[NH2+]CC2)CC[NH2+]1 ZINC001246793778 988472127 /nfs/dbraw/zinc/47/21/27/988472127.db2.gz DMPHEEIGHIPEKT-TZMCWYRMSA-N 3 0 239.407 1.448 20 0 BDADRP CC[C@@H]1C[NH2+]CCN1[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246802609 988486491 /nfs/dbraw/zinc/48/64/91/988486491.db2.gz KJKQQRYOMXTVCS-RQJABVFESA-N 2 0 237.391 1.343 20 0 BDADRP COC(C)(C)[C@H]1CCC[N@@H+]1[C@H]1CCC[NH2+]C1 ZINC001246812330 988497236 /nfs/dbraw/zinc/49/72/36/988497236.db2.gz YUIFUENSWDECDY-NWDGAFQWSA-N 2 0 226.364 1.628 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N2CC[NH2+]C(C)(C)C2)CC[NH2+]1 ZINC001246815990 988505904 /nfs/dbraw/zinc/50/59/04/988505904.db2.gz GESRIORQACIUJY-STQMWFEESA-N 2 0 239.407 1.447 20 0 BDADRP CCCC[C@H]1C[C@H](N2C[C@@H]([NH3+])[C@@H](F)C2)CC[NH2+]1 ZINC001246820382 988508926 /nfs/dbraw/zinc/50/89/26/988508926.db2.gz NZQQLHGNIDZUOT-QNWHQSFQSA-N 2 0 243.370 1.278 20 0 BDADRP CCCCCC[C@H](CC)N(CC[NH3+])CC[NH3+] ZINC001246836168 988532459 /nfs/dbraw/zinc/53/24/59/988532459.db2.gz ZUPKVHCINRKPNB-ZDUSSCGKSA-N 2 0 229.412 1.955 20 0 BDADRP C1[NH2+]CC12C[C@@H]([N@@H+]1CCC[C@H]3CCC[C@@H]31)CCN2 ZINC001246822293 988511601 /nfs/dbraw/zinc/51/16/01/988511601.db2.gz YCTVJRIZIZXZEV-RDBSUJKOSA-N 2 0 249.402 1.345 20 0 BDADRP C[NH2+]CC[C@@H](C)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001246829737 988524439 /nfs/dbraw/zinc/52/44/39/988524439.db2.gz DDVIFXRULCXZIM-TZMCWYRMSA-N 3 0 239.407 1.448 20 0 BDADRP C[C@@H]1C[C@H](N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC[NH2+]1 ZINC001246832616 988528185 /nfs/dbraw/zinc/52/81/85/988528185.db2.gz MUHWBAZTHHPLPH-XJFOESAGSA-N 2 0 237.391 1.153 20 0 BDADRP C[C@@H]1C[C@@H](N2CC3(C2)CCCC[NH2+]3)C[C@H](C)[NH2+]1 ZINC001246831776 988529724 /nfs/dbraw/zinc/52/97/24/988529724.db2.gz FLWSRIGJJMMUBX-CLLJXQQHSA-N 2 0 237.391 1.343 20 0 BDADRP CCC(CC)[N@H+](CC)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246841111 988547941 /nfs/dbraw/zinc/54/79/41/988547941.db2.gz SXPOFKFBPIDVPW-ZDUSSCGKSA-N 2 0 239.407 1.591 20 0 BDADRP CSCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001246851390 988570391 /nfs/dbraw/zinc/57/03/91/988570391.db2.gz FQNISXQEQLKEJB-HBNTYKKESA-N 2 0 214.378 1.551 20 0 BDADRP CCN([C@@H]1CCC[NH2+]C1)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246853195 988574573 /nfs/dbraw/zinc/57/45/73/988574573.db2.gz HYDNWOVFLHRUFT-RWMBFGLXSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CC[C@]3(C2)CCCOC3)CC[NH2+]1 ZINC001246855072 988579396 /nfs/dbraw/zinc/57/93/96/988579396.db2.gz SGLCLDWCIZICLW-RDBSUJKOSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@@H]1CCC[C@H]([N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])C1 ZINC001246859915 988584260 /nfs/dbraw/zinc/58/42/60/988584260.db2.gz MPAYCNIFCHUQNT-JABUTEAWSA-N 2 0 238.375 1.471 20 0 BDADRP [NH3+][C@]12CC[C@@H]1C[N@@H+]([C@H]1CCC[C@]3(CC[NH2+]C3)C1)C2 ZINC001246861360 988600876 /nfs/dbraw/zinc/60/08/76/988600876.db2.gz PBJFJRKBAUVNPF-QPSCCSFWSA-N 3 0 249.402 1.332 20 0 BDADRP COC(=O)C[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001246862643 988601452 /nfs/dbraw/zinc/60/14/52/988601452.db2.gz MFBNYPBUPLXRLU-LLVKDONJSA-N 2 0 240.347 1.014 20 0 BDADRP CC[C@@H]1C[C@H](N2C[C@H]([NH3+])C[C@H](C)C2)CC[NH2+]1 ZINC001246860293 988603507 /nfs/dbraw/zinc/60/35/07/988603507.db2.gz GJMKCRGCKQTYSL-UMSGYPCISA-N 2 0 225.380 1.186 20 0 BDADRP [NH3+][C@]12CC[C@@H]1C[N@@H+](C1CCC3(CC[NH2+]C3)CC1)C2 ZINC001246865046 988606591 /nfs/dbraw/zinc/60/65/91/988606591.db2.gz XPWNYDBFWNKCTD-URGYJCLVSA-N 3 0 249.402 1.332 20 0 BDADRP CC(C)(C)[NH+]1CCC(N2C[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001246868065 988625856 /nfs/dbraw/zinc/62/58/56/988625856.db2.gz JYCYGSLENUWWCB-BXUZGUMPSA-N 2 0 237.391 1.282 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC001246869695 988631044 /nfs/dbraw/zinc/63/10/44/988631044.db2.gz HRGQVEVEXZXMGP-IHRRRGAJSA-N 2 0 241.423 1.789 20 0 BDADRP CC[C@H](CC(C)C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC001246870536 988633990 /nfs/dbraw/zinc/63/39/90/988633990.db2.gz LUUXWJCXLUMNRY-CQSZACIVSA-N 2 0 241.423 1.648 20 0 BDADRP CC[C@@H]1CC(N2C[C@@H](C)[C@@H]([NH3+])C2)C[C@@H](CC)[NH2+]1 ZINC001246879524 988645634 /nfs/dbraw/zinc/64/56/34/988645634.db2.gz FJCUGNWCTZHELD-BYNQJWBRSA-N 2 0 239.407 1.575 20 0 BDADRP CC[C@H]1C[C@H](N(CC)CC[NH2+]C)CC[NH2+]1 ZINC001246889557 988659985 /nfs/dbraw/zinc/65/99/85/988659985.db2.gz FJJBNPKNRUCOEJ-NWDGAFQWSA-N 2 0 213.369 1.058 20 0 BDADRP CCN(CC[NH2+]C)[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246892140 988660022 /nfs/dbraw/zinc/66/00/22/988660022.db2.gz PWLPESLVLIUSGY-LLVKDONJSA-N 2 0 213.369 1.058 20 0 BDADRP CCN(CC[NH2+]C)[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246890717 988660333 /nfs/dbraw/zinc/66/03/33/988660333.db2.gz KVNGMMMKTXVKMY-ZIAGYGMSSA-N 2 0 239.407 1.450 20 0 BDADRP CCCN(C1CC[NH2+]CC1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246893212 988666090 /nfs/dbraw/zinc/66/60/90/988666090.db2.gz IPAVYXHHANQKQK-TZMCWYRMSA-N 2 0 239.407 1.591 20 0 BDADRP CCN(CC[NH2+]C)[C@@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246893542 988666288 /nfs/dbraw/zinc/66/62/88/988666288.db2.gz WTAHWLWCNVNHSZ-CHWSQXEVSA-N 2 0 227.396 1.304 20 0 BDADRP CCC1([NH3+])CN([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001246896702 988669187 /nfs/dbraw/zinc/66/91/87/988669187.db2.gz ZHZUNELCTJOATB-OLZOCXBDSA-N 2 0 237.391 1.332 20 0 BDADRP CCCC[C@@H]1C[C@@H](N2CC[C@@H]2[NH2+]C)CC[NH2+]1 ZINC001246901915 988675584 /nfs/dbraw/zinc/67/55/84/988675584.db2.gz FOJLRPSBRZPSQR-FRRDWIJNSA-N 2 0 225.380 1.548 20 0 BDADRP CCCC[C@H]1C[C@@H](N2CC([NH3+])(CC)C2)CC[NH2+]1 ZINC001246903442 988679566 /nfs/dbraw/zinc/67/95/66/988679566.db2.gz XSCDCNHMLNIBLT-STQMWFEESA-N 2 0 239.407 1.720 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCc3ccc(N)cc3C2)CC[NH2+]1 ZINC001246905213 988684169 /nfs/dbraw/zinc/68/41/69/988684169.db2.gz MJJXOBFVMVQHFO-ABAIWWIYSA-N 2 0 245.370 1.767 20 0 BDADRP C[C@@H]1C[C@@H](N(C)[C@]2(C)CCC[NH2+]C2)CC[NH2+]1 ZINC001246913570 988694153 /nfs/dbraw/zinc/69/41/53/988694153.db2.gz RCCIQNUFONUSKN-FRRDWIJNSA-N 2 0 225.380 1.201 20 0 BDADRP CN([C@@H]1CC[NH2+]C(C)(C)C1)[C@]1(C)CCC[NH2+]C1 ZINC001246915149 988707639 /nfs/dbraw/zinc/70/76/39/988707639.db2.gz VLVKGGWOYDXTJZ-TZMCWYRMSA-N 2 0 239.407 1.591 20 0 BDADRP CN([C@H]1CC[NH2+]C(C)(C)C1)[C@@]1(C)CCC[NH2+]C1 ZINC001246915144 988707653 /nfs/dbraw/zinc/70/76/53/988707653.db2.gz VLVKGGWOYDXTJZ-JSGCOSHPSA-N 2 0 239.407 1.591 20 0 BDADRP CC[N@H+](CCC(=O)OC)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246918553 988712776 /nfs/dbraw/zinc/71/27/76/988712776.db2.gz FGPQZOLLUVRGHH-WDEREUQCSA-N 2 0 228.336 1.012 20 0 BDADRP C1CC1N([C@@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]CC1 ZINC001246916985 988713043 /nfs/dbraw/zinc/71/30/43/988713043.db2.gz NDGABZOSFREKDY-GXTWGEPZSA-N 2 0 237.391 1.345 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2C[C@H]3CCCN(C)[C@H]3C2)CC[NH2+]1 ZINC001246919850 988722956 /nfs/dbraw/zinc/72/29/56/988722956.db2.gz SCVXOZATYXWRHW-SYQHCUMBSA-N 2 0 237.391 1.153 20 0 BDADRP CC1(C)CCC[C@H]([N@@H+]2C[C@@H]3C[NH2+]C[C@H]32)C1 ZINC001246919066 988724283 /nfs/dbraw/zinc/72/42/83/988724283.db2.gz MGQFVAJSHUKJJQ-SDDRHHMPSA-N 2 0 208.349 1.859 20 0 BDADRP CC[C@H]1C[C@@H](N(CC)[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246920302 988726760 /nfs/dbraw/zinc/72/67/60/988726760.db2.gz ZRFHVXANGUIODV-MELADBBJSA-N 2 0 239.407 1.591 20 0 BDADRP CC[C@@H]1C[C@@H](N2C[C@H]3C[NH2+]C[C@@H]32)C[C@H](CC)[NH2+]1 ZINC001246921964 988738261 /nfs/dbraw/zinc/73/82/61/988738261.db2.gz TWRBDKIIVXEAEG-RGDJUOJXSA-N 2 0 237.391 1.199 20 0 BDADRP CC(C)(C)[C@@H]1C[C@H](N2C[C@H]3C[NH2+]C[C@H]32)CC[NH2+]1 ZINC001246923742 988740629 /nfs/dbraw/zinc/74/06/29/988740629.db2.gz ZEOYXBKFPNCBGE-LPWJVIDDSA-N 2 0 237.391 1.057 20 0 BDADRP C1[NH2+][C@H]2C[N@@H+](C3CCC4(CCC[NH2+]C4)CC3)C[C@H]12 ZINC001246924887 988749461 /nfs/dbraw/zinc/74/94/61/988749461.db2.gz NIOTZTBVIWTOSD-LQULJDIASA-N 3 0 249.402 1.202 20 0 BDADRP C1[C@@H]2C[C@@H]([N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)C[C@H]12 ZINC001246933120 988761009 /nfs/dbraw/zinc/76/10/09/988761009.db2.gz PZGVYVQPDUSVSC-RVOPOGNISA-N 2 0 220.360 1.716 20 0 BDADRP C1[C@@H]2CC[NH2+]CC[C@@H]2C[N@H+]1[C@H]1CCC[NH2+]CC1 ZINC001246932036 988761899 /nfs/dbraw/zinc/76/18/99/988761899.db2.gz OUYJBRFVNGLPRX-MJBXVCDLSA-N 3 0 237.391 1.060 20 0 BDADRP CN1CCC[C@H]([N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)C1 ZINC001246933094 988764120 /nfs/dbraw/zinc/76/41/20/988764120.db2.gz PQBCXNBZCDPNKI-MJBXVCDLSA-N 2 0 237.391 1.012 20 0 BDADRP CCN(C[C@@H]1CC[NH2+]C1)[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246942159 988773323 /nfs/dbraw/zinc/77/33/23/988773323.db2.gz NHRUZDXLSHRQSC-XQQFMLRXSA-N 2 0 225.380 1.058 20 0 BDADRP CCN(C[C@H]1CC[NH2+]C1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246946134 988783110 /nfs/dbraw/zinc/78/31/10/988783110.db2.gz GDPKEBFUABYOBT-AGIUHOORSA-N 2 0 225.380 1.058 20 0 BDADRP CCN1CC[C@@H]([N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)C1 ZINC001246944275 988783455 /nfs/dbraw/zinc/78/34/55/988783455.db2.gz WNOHMGCSHRDNSK-HZSPNIEDSA-N 2 0 237.391 1.012 20 0 BDADRP CC(C)N([C@@H]1CCC[NH2+]C1)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246955390 988788876 /nfs/dbraw/zinc/78/88/76/988788876.db2.gz QHAHMVDWHFZZRT-MGPQQGTHSA-N 2 0 239.407 1.589 20 0 BDADRP C[C@@H]1CN([C@@H]2CC[NH2+]C3(CCC3)C2)C[C@@H](C)[NH2+]1 ZINC001246961983 988794357 /nfs/dbraw/zinc/79/43/57/988794357.db2.gz CSBQDNRSLGHAQO-JHJVBQTASA-N 2 0 237.391 1.343 20 0 BDADRP C[NH2+]CC[C@@H](C)N(C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001246971633 988798707 /nfs/dbraw/zinc/79/87/07/988798707.db2.gz HVFWBLSXYNXVHH-CHWSQXEVSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H]([NH3+])CN(C)C1CC[NH+](C(C)(C)C)CC1 ZINC001246980594 988809413 /nfs/dbraw/zinc/80/94/13/988809413.db2.gz JJEXDHIGPSDXQL-NSHDSACASA-N 2 0 227.396 1.528 20 0 BDADRP CC[C@H]([NH3+])CN(C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001246981901 988809421 /nfs/dbraw/zinc/80/94/21/988809421.db2.gz UFZAGCUPZDLLSM-FQUUOJAGSA-N 2 0 239.407 1.671 20 0 BDADRP CC[NH+]1C[C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]2C1 ZINC001246981479 988810202 /nfs/dbraw/zinc/81/02/02/988810202.db2.gz WYJYSUABUMRQQP-ARJVPZMDSA-N 3 0 249.402 1.153 20 0 BDADRP CCCC[C@H]1C[C@@H](N(C)C[C@H](C)[NH3+])CC[NH2+]1 ZINC001246980369 988811512 /nfs/dbraw/zinc/81/15/12/988811512.db2.gz HNZQJEAQWVSBAU-AVGNSLFASA-N 2 0 227.396 1.576 20 0 BDADRP CC(C)[N@@H+]1CCN([C@H]2CC[C@@H](C)[NH2+]C2)C[C@@H]1C ZINC001246980772 988811727 /nfs/dbraw/zinc/81/17/27/988811727.db2.gz SMYFBYCJTRUOMJ-RDBSUJKOSA-N 2 0 239.407 1.541 20 0 BDADRP C[C@H]1C[C@@H](N2CC(F)(F)CC[C@@H]2C[NH3+])CC[NH2+]1 ZINC001246993785 988824239 /nfs/dbraw/zinc/82/42/39/988824239.db2.gz UFWMPHJDQVXQRG-GARJFASQSA-N 2 0 247.333 1.185 20 0 BDADRP C1=C2NCC[N@@H+]([C@H]3C[C@H]4C[NH2+]C[C@H]4C3)[C@@H]2CCC1 ZINC001246997168 988829658 /nfs/dbraw/zinc/82/96/58/988829658.db2.gz QYIJUYKPRCKSBD-QVHKTLOISA-N 2 0 247.386 1.326 20 0 BDADRP C[C@@H]1CC[C@H](N2CCC3(CC[C@H]3[NH3+])CC2)C[NH2+]1 ZINC001247000697 988831294 /nfs/dbraw/zinc/83/12/94/988831294.db2.gz HGVIPDZEVIHONZ-FRRDWIJNSA-N 2 0 237.391 1.330 20 0 BDADRP CC[N@@H+]1CCN([C@H]2CC[NH2+][C@@H](C)C2)C[C@H]1C ZINC001246998907 988831383 /nfs/dbraw/zinc/83/13/83/988831383.db2.gz HPIQXRZBQFQBQF-XQQFMLRXSA-N 2 0 225.380 1.153 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CN1[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001247000215 988831451 /nfs/dbraw/zinc/83/14/51/988831451.db2.gz VDOHCVGBDJOJCF-MROQNXINSA-N 2 0 239.407 1.575 20 0 BDADRP CC[N@@H+]1CCN([C@H]2CC[NH2+][C@H](C)C2)[C@H](C)C1 ZINC001246997926 988832696 /nfs/dbraw/zinc/83/26/96/988832696.db2.gz WDWGGQBVTRAPLR-UPJWGTAASA-N 2 0 225.380 1.153 20 0 BDADRP C[C@@H]1CC[C@H](N2CCC3(CC[C@@H]3[NH3+])CC2)C[NH2+]1 ZINC001247000691 988832876 /nfs/dbraw/zinc/83/28/76/988832876.db2.gz HGVIPDZEVIHONZ-AGIUHOORSA-N 2 0 237.391 1.330 20 0 BDADRP CC[N@@H+]1CCN([C@@H]2CC[C@H](C)[NH2+]C2)[C@H](C)C1 ZINC001246997358 988833306 /nfs/dbraw/zinc/83/33/06/988833306.db2.gz UDPYIDZINOGPTG-YNEHKIRRSA-N 2 0 225.380 1.153 20 0 BDADRP CC[N@@H+]1CCN([C@H]2CC[C@@H](C)[NH2+]C2)C[C@H]1C ZINC001247002726 988835160 /nfs/dbraw/zinc/83/51/60/988835160.db2.gz TYGWWTROAYGBCB-UPJWGTAASA-N 2 0 225.380 1.153 20 0 BDADRP COC1(C[NH2+]CC2=CC[N@H+](C)CC2)CCC1 ZINC001119242094 988859458 /nfs/dbraw/zinc/85/94/58/988859458.db2.gz RGZWHEQWEJIFKD-UHFFFAOYSA-N 2 0 224.348 1.407 20 0 BDADRP COC1(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)CCC1 ZINC001119245511 988862285 /nfs/dbraw/zinc/86/22/85/988862285.db2.gz RABZUTNZOAHPDA-ZDUSSCGKSA-N 2 0 240.391 1.877 20 0 BDADRP CCC[NH2+][C@@H](C)C(=O)Nc1ccccc1C[NH3+] ZINC001514695323 988927205 /nfs/dbraw/zinc/92/72/05/988927205.db2.gz HTOLDBOUXSFNJI-JTQLQIEISA-N 2 0 235.331 1.472 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)Nc1ccccc1C[NH3+] ZINC001514695325 988929039 /nfs/dbraw/zinc/92/90/39/988929039.db2.gz HTOLDBOUXSFNJI-SNVBAGLBSA-N 2 0 235.331 1.472 20 0 BDADRP CC[N@@H+]1CCC[C@H](CN[C@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC001325744296 989247242 /nfs/dbraw/zinc/24/72/42/989247242.db2.gz UGVPDPYYQKUMKK-MCIONIFRSA-N 2 0 239.407 1.448 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@@H](Cn1cccn1)C(C)C ZINC001326037480 989336726 /nfs/dbraw/zinc/33/67/26/989336726.db2.gz WWKGXPYYARBWOO-OLZOCXBDSA-N 2 0 238.379 1.495 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@H](C)CCCOC ZINC001326037126 989337974 /nfs/dbraw/zinc/33/79/74/989337974.db2.gz VYFIFCPVVYESFY-GHMZBOCLSA-N 2 0 202.342 1.389 20 0 BDADRP CC(C)[C@H]([NH3+])c1noc([C@H](C)n2ccnc2)n1 ZINC001326237391 989445231 /nfs/dbraw/zinc/44/52/31/989445231.db2.gz XTLBACGOPXPIEI-IUCAKERBSA-N 2 0 235.291 1.531 20 0 BDADRP Cc1cc(N)nc(NCC[N@@H+](C)C(C)C)n1 ZINC001119938748 989489420 /nfs/dbraw/zinc/48/94/20/989489420.db2.gz MHNXNGAMENMMIY-UHFFFAOYSA-N 2 0 223.324 1.119 20 0 BDADRP COC(=O)c1cccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)c1 ZINC001120386416 989650419 /nfs/dbraw/zinc/65/04/19/989650419.db2.gz CHAUHKIHSPNDPV-HAQNSBGRSA-N 2 0 234.299 1.053 20 0 BDADRP C[C@@H]([NH3+])CNC(=O)CCCCC1CC[NH2+]CC1 ZINC001521534514 989734601 /nfs/dbraw/zinc/73/46/01/989734601.db2.gz YAZUGCIWARBGCB-LLVKDONJSA-N 2 0 241.379 1.010 20 0 BDADRP CSC[C@H](O)C[NH2+]CCC[N@H+](C)C(C)C ZINC001120569604 989736182 /nfs/dbraw/zinc/73/61/82/989736182.db2.gz CLOPQHXICCZRKW-LLVKDONJSA-N 2 0 234.409 1.030 20 0 BDADRP C[C@H](CCCC[NH3+])NC(=O)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001521540921 989739179 /nfs/dbraw/zinc/73/91/79/989739179.db2.gz NQGPKOVUGUMTAC-IJLUTSLNSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@@H]1CC[C@@H](NC(=O)c2ccccc2C[NH3+])C[NH2+]1 ZINC001522197212 989838990 /nfs/dbraw/zinc/83/89/90/989838990.db2.gz QALXNOMKAQSCCJ-ZYHUDNBSSA-N 2 0 247.342 1.016 20 0 BDADRP CC[N@@H+]1CCC[C@H](CNc2cc[nH+]cc2)C1 ZINC001120864834 989935240 /nfs/dbraw/zinc/93/52/40/989935240.db2.gz PFLJGEWOVVTPRL-GFCCVEGCSA-N 2 0 219.332 1.647 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)NC(=O)C(C)(C)C[NH3+] ZINC001523913730 989958954 /nfs/dbraw/zinc/95/89/54/989958954.db2.gz QSFWYUNQWBZWEC-LLVKDONJSA-N 2 0 243.395 1.208 20 0 BDADRP CCC[NH2+]CCNC(=O)[C@@](C)(C[NH3+])CC(C)C ZINC001121930388 990134478 /nfs/dbraw/zinc/13/44/78/990134478.db2.gz GDVZHZCWTOIGHD-CYBMUJFWSA-N 2 0 243.395 1.113 20 0 BDADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001122017896 990188242 /nfs/dbraw/zinc/18/82/42/990188242.db2.gz ZCZMAXDIYXEFHY-QCNOEVLYSA-N 2 0 241.379 1.136 20 0 BDADRP CC(C)C[C@@H]([NH3+])CC(=O)N[C@H](C)CCCC[NH3+] ZINC001122023170 990190725 /nfs/dbraw/zinc/19/07/25/990190725.db2.gz YQESGOKCKOZZPS-VXGBXAGGSA-N 2 0 243.395 1.384 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001122302859 990329735 /nfs/dbraw/zinc/32/97/35/990329735.db2.gz BVRJPANCYAUOGB-NEPJUHHUSA-N 2 0 241.379 1.023 20 0 BDADRP [NH3+]Cc1ccccc1NC(=O)[C@H]1CCC[NH2+]CC1 ZINC001122346792 990352713 /nfs/dbraw/zinc/35/27/13/990352713.db2.gz ZSJVGSDABPEODK-NSHDSACASA-N 2 0 247.342 1.474 20 0 BDADRP CC1(C)[C@H](C(=O)Nc2ccccc2C[NH3+])C[C@@H]1[NH3+] ZINC001122433965 990385113 /nfs/dbraw/zinc/38/51/13/990385113.db2.gz XVLTUXBITLKSKH-JQWIXIFHSA-N 2 0 247.342 1.457 20 0 BDADRP CCN1CCC[C@@H]([NH2+]CCC[C@@H]2CCOC2)C1 ZINC001308765608 991123456 /nfs/dbraw/zinc/12/34/56/991123456.db2.gz OHVZJLXBHPOADD-ZIAGYGMSSA-N 2 0 240.391 1.877 20 0 BDADRP CSCC[C@@H](C)[NH2+]CCC[N@H+](C)CCO ZINC001258211187 991126567 /nfs/dbraw/zinc/12/65/67/991126567.db2.gz GVAPSEIOSWSCRS-LLVKDONJSA-N 2 0 234.409 1.032 20 0 BDADRP CSC(C)(C)C[C@H](C)[NH2+]CCOCC[NH3+] ZINC001258321354 991248350 /nfs/dbraw/zinc/24/83/50/991248350.db2.gz JRAAUNJEBDIPDD-JTQLQIEISA-N 2 0 234.409 1.472 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12)[C@H]1CCCO1 ZINC001308984901 991250571 /nfs/dbraw/zinc/25/05/71/991250571.db2.gz QFHXKHLBJGQZKT-MEBFFEOJSA-N 2 0 238.375 1.484 20 0 BDADRP COC(=O)CC[C@@H](C)[NH2+]CCCCC[NH+](C)C ZINC001258346721 991272817 /nfs/dbraw/zinc/27/28/17/991272817.db2.gz FFZOXIOAMFOYQI-GFCCVEGCSA-N 2 0 244.379 1.650 20 0 BDADRP COC(=O)CC[C@@H](C)[NH2+][C@@H]1CCN(C(C)C)C1 ZINC001258351865 991283527 /nfs/dbraw/zinc/28/35/27/991283527.db2.gz YMPQXYIFNCASJD-VXGBXAGGSA-N 2 0 242.363 1.400 20 0 BDADRP COC(=O)CC[C@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC001258354942 991292219 /nfs/dbraw/zinc/29/22/19/991292219.db2.gz CVXOSLLJXHUTKC-NSHDSACASA-N 2 0 244.379 1.506 20 0 BDADRP COC(=O)CC[C@@H](C)[NH2+]C(C)(C)C(C)(C)[NH3+] ZINC001258358899 991298744 /nfs/dbraw/zinc/29/87/44/991298744.db2.gz MLSMRTOUUQLWCT-SECBINFHSA-N 2 0 230.352 1.434 20 0 BDADRP C[C@H](CC1CC1)NC(=[NH2+])NCCCC[NH3+] ZINC001258448247 991397512 /nfs/dbraw/zinc/39/75/12/991397512.db2.gz GIRBBSPWCMIGPX-SECBINFHSA-N 2 0 212.341 1.028 20 0 BDADRP C[C@@H](CC1CC1)[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001258457811 991413472 /nfs/dbraw/zinc/41/34/72/991413472.db2.gz LLAPOHIHZLWORZ-ZDUSSCGKSA-N 2 0 239.407 1.354 20 0 BDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCC[C@@H]1C ZINC001560315438 991454110 /nfs/dbraw/zinc/45/41/10/991454110.db2.gz BARGTLKCUHARFP-BFHYXJOUSA-N 2 0 239.407 1.401 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CCSCC3)[C@H]2C1 ZINC001560623516 991527699 /nfs/dbraw/zinc/52/76/99/991527699.db2.gz ZPRGEOYSTALLFM-WCFLWFBJSA-N 2 0 240.416 1.812 20 0 BDADRP C[C@H](C[NH3+])C[N@H+](C)[C@H](C)Cc1cccnc1 ZINC001258615198 991542192 /nfs/dbraw/zinc/54/21/92/991542192.db2.gz FCVAAWNYXHIBAB-VXGBXAGGSA-N 2 0 221.348 1.539 20 0 BDADRP C[C@H](Cc1cccnc1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001258630265 991571025 /nfs/dbraw/zinc/57/10/25/991571025.db2.gz QEWDFCUCHUOPLW-YUELXQCFSA-N 2 0 245.370 1.506 20 0 BDADRP Cc1cnn(C)c1C[NH2+]C[C@H]1C[NH+]2CCC1CC2 ZINC001561034239 991694080 /nfs/dbraw/zinc/69/40/80/991694080.db2.gz KXZULENCEFPVSG-ZDUSSCGKSA-N 2 0 248.374 1.160 20 0 BDADRP CCC[NH+]1CCC(n2cccc2C[NH3+])CC1 ZINC001258765812 991728128 /nfs/dbraw/zinc/72/81/28/991728128.db2.gz DDVILDCTOJXJBM-UHFFFAOYSA-N 2 0 221.348 1.994 20 0 BDADRP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@H](C[NH3+])C(=O)OC ZINC001258779157 991743422 /nfs/dbraw/zinc/74/34/22/991743422.db2.gz AKGBAGAWNKOOFT-SDDRHHMPSA-N 2 0 244.379 1.539 20 0 BDADRP CC[C@H](C[C@@H](C)CC)[NH2+]CCOCC[NH3+] ZINC001258780099 991751908 /nfs/dbraw/zinc/75/19/08/991751908.db2.gz KQNHTUTUJXBDAA-NWDGAFQWSA-N 2 0 216.369 1.766 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[NH+]2CCC1CC2)[C@H]1CCOC1 ZINC001474734645 991784000 /nfs/dbraw/zinc/78/40/00/991784000.db2.gz BHLJOKJMMASVDK-UBHSHLNASA-N 2 0 238.375 1.343 20 0 BDADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](COC)C2CC2)C1 ZINC001319189387 991812626 /nfs/dbraw/zinc/81/26/26/991812626.db2.gz FSHVKRIEVBXEJN-JSGCOSHPSA-N 2 0 240.391 1.733 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CC[C@@H](O)C1 ZINC001258897765 991892137 /nfs/dbraw/zinc/89/21/37/991892137.db2.gz OMMNIEFVWQGQOO-HZSPNIEDSA-N 2 0 242.407 2.000 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]CC1OCCO1 ZINC001258900903 991894111 /nfs/dbraw/zinc/89/41/11/991894111.db2.gz UAWFWFNVZUKYGU-GFCCVEGCSA-N 2 0 244.379 1.459 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1[C@@H]2COC[C@@H]21 ZINC001258900245 991895425 /nfs/dbraw/zinc/89/54/25/991895425.db2.gz GOGBJXSXNQEFMS-MQYQWHSLSA-N 2 0 240.391 1.731 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1C[C@@H](CO)C1 ZINC001258899156 991896145 /nfs/dbraw/zinc/89/61/45/991896145.db2.gz GPVYJYCLFFTODV-MELADBBJSA-N 2 0 242.407 1.857 20 0 BDADRP CC[C@]1(c2nc([C@H]3CCC[NH2+]3)no2)CC[NH2+]C1 ZINC001261481117 992336249 /nfs/dbraw/zinc/33/62/49/992336249.db2.gz MLMWBUPMIVFKNZ-SKDRFNHKSA-N 2 0 236.319 1.135 20 0 BDADRP CCC[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001570653705 992495975 /nfs/dbraw/zinc/49/59/75/992495975.db2.gz VBNRUERVIHZCNL-RYUDHWBXSA-N 2 0 243.395 1.219 20 0 BDADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC(C)(C)[NH3+] ZINC001262043340 992628745 /nfs/dbraw/zinc/62/87/45/992628745.db2.gz PCCWTQCUCTWRHL-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP COC1(C[NH2+]CC[C@H](C)[NH+](C)C)CCOCC1 ZINC001262189177 992780983 /nfs/dbraw/zinc/78/09/83/992780983.db2.gz RNRPTTUXUIJZQS-LBPRGKRZSA-N 2 0 244.379 1.112 20 0 BDADRP C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH2+]CC1CSC1 ZINC001574767028 992899142 /nfs/dbraw/zinc/89/91/42/992899142.db2.gz YPLLITPXLRMGAV-VGPLMAKISA-N 2 0 240.416 1.860 20 0 BDADRP C([NH2+]C1([C@@H]2CCCO2)CCC1)[C@H]1CC[NH2+]C1 ZINC001574816507 992917848 /nfs/dbraw/zinc/91/78/48/992917848.db2.gz GXFJTAZUCPXTBL-RYUDHWBXSA-N 2 0 224.348 1.287 20 0 BDADRP CC(=O)C[NH+]1CCC2(CCC[C@H]2C[NH3+])CC1 ZINC001574979889 992959239 /nfs/dbraw/zinc/95/92/39/992959239.db2.gz HHEZDMZGWPBSKW-LBPRGKRZSA-N 2 0 224.348 1.416 20 0 BDADRP CC(C)(C)[C@@H](CO)[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC001575108284 992991315 /nfs/dbraw/zinc/99/13/15/992991315.db2.gz OIFRWYLDOMLBNK-HBNTYKKESA-N 2 0 214.353 1.110 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])C[NH2+]C1CC(CCO)C1 ZINC001575131836 992993164 /nfs/dbraw/zinc/99/31/64/992993164.db2.gz XEMSCUOBIPLTRK-CPCZMJQVSA-N 2 0 242.407 1.891 20 0 BDADRP CC(C)(C)[N@H+](CCCCCCC[NH3+])CC(N)=O ZINC001575142092 992996587 /nfs/dbraw/zinc/99/65/87/992996587.db2.gz VVROPXPVCKACRU-UHFFFAOYSA-N 2 0 243.395 1.481 20 0 BDADRP CC(C)(C[NH3+])C[NH2+]C[C@@H]1CCCN1CC(F)F ZINC001575315285 993005567 /nfs/dbraw/zinc/00/55/67/993005567.db2.gz NEGTYCBFFJFOHA-JTQLQIEISA-N 2 0 249.349 1.290 20 0 BDADRP CC(C)(C[NH3+])C[N@@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001575314895 993007303 /nfs/dbraw/zinc/00/73/03/993007303.db2.gz BPRCSBBXUZERAQ-BDAKNGLRSA-N 2 0 218.291 1.558 20 0 BDADRP CC(C)(C[NH3+])C[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC001575315079 993009548 /nfs/dbraw/zinc/00/95/48/993009548.db2.gz GTOJDQGLYJWHAY-KOLCDFICSA-N 2 0 248.317 1.375 20 0 BDADRP CC(C)([NH2+]C[C@H]1CCC[NH2+]C1)[C@@H]1CCCCO1 ZINC001575378080 993022087 /nfs/dbraw/zinc/02/20/87/993022087.db2.gz IWMHVUYNGDOOPS-STQMWFEESA-N 2 0 240.391 1.923 20 0 BDADRP CC(C)([NH2+]C[C@@H]1CCC[NH2+]C1)[C@H]1CCCCO1 ZINC001575378077 993022356 /nfs/dbraw/zinc/02/23/56/993022356.db2.gz IWMHVUYNGDOOPS-CHWSQXEVSA-N 2 0 240.391 1.923 20 0 BDADRP CC(C)[C@H](C[NH3+])C[NH2+]Cc1cnn(CCF)c1 ZINC001575422234 993041430 /nfs/dbraw/zinc/04/14/30/993041430.db2.gz GEGDFHULRRUMFK-GFCCVEGCSA-N 2 0 242.342 1.173 20 0 BDADRP CC(C)[C@@H](C[NH3+])C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC001575422891 993042693 /nfs/dbraw/zinc/04/26/93/993042693.db2.gz NYCCTZYBZVSNHR-MELADBBJSA-N 2 0 240.391 1.312 20 0 BDADRP CC(C)[C@H](CO)C[NH2+]C[C@H](N)CC(F)(F)F ZINC001575436501 993043375 /nfs/dbraw/zinc/04/33/75/993043375.db2.gz ZPVOZHWIRHHZMT-DTWKUNHWSA-N 2 0 242.285 1.120 20 0 BDADRP CC(C)C([NH2+]CCN1CC[NH2+]CC1)C(C)C ZINC001575472530 993051733 /nfs/dbraw/zinc/05/17/33/993051733.db2.gz ORDDFEUUNDUDTA-UHFFFAOYSA-N 2 0 227.396 1.162 20 0 BDADRP CC(C)C[C@H](CNCC12CC(C1)C[NH2+]2)[NH+](C)C ZINC001575544246 993069021 /nfs/dbraw/zinc/06/90/21/993069021.db2.gz GTKGHNDJDGPIQE-ROKHWSDSSA-N 2 0 239.407 1.304 20 0 BDADRP CC(C)N(C)C[C@H](C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC001575689187 993096669 /nfs/dbraw/zinc/09/66/69/993096669.db2.gz MHGFGOYLPNNCHK-ZDUSSCGKSA-N 2 0 249.402 1.964 20 0 BDADRP CC(C)O[C@H]1C[C@@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)C1 ZINC001575798019 993106224 /nfs/dbraw/zinc/10/62/24/993106224.db2.gz BLQLULWVTBEISO-HZSPNIEDSA-N 2 0 240.391 1.922 20 0 BDADRP CC(C)n1nccc1CN[C@H]1C[C@@H]([NH3+])C1 ZINC001575910176 993123299 /nfs/dbraw/zinc/12/32/99/993123299.db2.gz VWZGOKLWGUXVBI-AOOOYVTPSA-N 2 0 208.309 1.043 20 0 BDADRP C[C@H](C[NH2+]C[C@H](N)CC(F)F)Cn1ccnc1 ZINC001576032530 993162291 /nfs/dbraw/zinc/16/22/91/993162291.db2.gz GPTNRERZTUNFGT-NXEZZACHSA-N 3 0 246.305 1.091 20 0 BDADRP C[C@H](Cc1ccno1)[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC001576065638 993171635 /nfs/dbraw/zinc/17/16/35/993171635.db2.gz GOIJYXAHXOXRKR-FBIMIBRVSA-N 2 0 223.320 1.321 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001576153298 993191961 /nfs/dbraw/zinc/19/19/61/993191961.db2.gz SBKZXNAVEHQNPW-MRBYEJRBSA-N 2 0 236.363 1.239 20 0 BDADRP [NH3+]Cc1ccccc1NC(=O)[C@H]([NH3+])CC(F)F ZINC001263266330 993199590 /nfs/dbraw/zinc/19/95/90/993199590.db2.gz LTQRFRVRTQQZIH-MRVPVSSYSA-N 2 0 243.257 1.066 20 0 BDADRP C[C@@H]([NH2+]C(C)(C)C[NH3+])[C@@H]1CCCCO1 ZINC001576234351 993221621 /nfs/dbraw/zinc/22/16/21/993221621.db2.gz WCAFLTIWYIKDHS-ZJUUUORDSA-N 2 0 200.326 1.271 20 0 BDADRP CC1(C)[C@H]([NH2+]CC[C@H]2CCCO2)C[C@@H]1[NH3+] ZINC001576380329 993284116 /nfs/dbraw/zinc/28/41/16/993284116.db2.gz OJDMYHCZZKTFAQ-OUAUKWLOSA-N 2 0 212.337 1.271 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC001576380541 993284598 /nfs/dbraw/zinc/28/45/98/993284598.db2.gz UIEAJUYJQOFYEU-AAVRWANBSA-N 2 0 246.354 1.360 20 0 BDADRP CC1(C)[C@H]([NH2+]CCOCC2CCC2)C[C@@H]1[NH3+] ZINC001576380734 993286565 /nfs/dbraw/zinc/28/65/65/993286565.db2.gz XQSKDHXKFODOOA-NWDGAFQWSA-N 2 0 226.364 1.519 20 0 BDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001576380557 993287454 /nfs/dbraw/zinc/28/74/54/993287454.db2.gz UNHBTLRZPDXCMR-GEVSDDDWSA-N 2 0 210.321 1.022 20 0 BDADRP CC1(C)[C@H](C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)C1(F)F ZINC001576384049 993292933 /nfs/dbraw/zinc/29/29/33/993292933.db2.gz SUMOEZPIDUCDTK-YIZRAAEISA-N 2 0 232.318 1.993 20 0 BDADRP CC1(C)CC[C@H](C[NH2+]C2CC3(C[C@@H]3[NH3+])C2)O1 ZINC001576421108 993298719 /nfs/dbraw/zinc/29/87/19/993298719.db2.gz GCQFCSXQAATMCZ-ZUXSNHBTSA-N 2 0 224.348 1.413 20 0 BDADRP CC[NH+](CC)C[C@H](O)C[N@H+](C)CC(C)C ZINC000379993862 993301207 /nfs/dbraw/zinc/30/12/07/993301207.db2.gz YZZOOZGDHQOROA-GFCCVEGCSA-N 2 0 216.369 1.277 20 0 BDADRP CC1(C)CCC[C@@H]([NH2+]C[C@H]2C[NH2+]C[C@H]2O)C1 ZINC001576426535 993303807 /nfs/dbraw/zinc/30/38/07/993303807.db2.gz KQMJLPBXHAYDPR-IJLUTSLNSA-N 2 0 226.364 1.125 20 0 BDADRP CC1(C)CCC[C@@]1(O)C[NH2+]CC12CC(C1)C[NH2+]2 ZINC001576426093 993304082 /nfs/dbraw/zinc/30/40/82/993304082.db2.gz AOEXUQNCEXVAHQ-UXUKBGGZSA-N 2 0 238.375 1.269 20 0 BDADRP CC1(C)CCC[C@]1(O)C[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001576426423 993304318 /nfs/dbraw/zinc/30/43/18/993304318.db2.gz HIIBTPJRNFFJGN-DVRWULTCSA-N 2 0 238.375 1.397 20 0 BDADRP CC[C@@H](O)C[NH2+]CCCC[NH+]1CCCC1 ZINC000380016266 993305418 /nfs/dbraw/zinc/30/54/18/993305418.db2.gz UGZVECXWWHBCSX-GFCCVEGCSA-N 2 0 214.353 1.223 20 0 BDADRP CC1(C)[C@H]([NH2+]CC[C@H]2COC(C)(C)O2)C[C@@H]1[NH3+] ZINC001576494344 993321034 /nfs/dbraw/zinc/32/10/34/993321034.db2.gz ACLAZTMGFJGSMS-GARJFASQSA-N 2 0 242.363 1.243 20 0 BDADRP C[C@]1(C[NH2+]C[C@H]2CCCC(C)(C)O2)CC[NH2+]C1 ZINC001576518752 993328259 /nfs/dbraw/zinc/32/82/59/993328259.db2.gz GNTHWBODBGIZIF-OCCSQVGLSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@]1(C[NH2+]CC23CC(C2)C[NH2+]3)CCCC[C@@H]1O ZINC001576518584 993328847 /nfs/dbraw/zinc/32/88/47/993328847.db2.gz ARMAGBGFMCBCFX-QPPOZKHWSA-N 2 0 238.375 1.269 20 0 BDADRP C[C@@]1(C[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCC[NH2+]C1 ZINC001576525577 993329523 /nfs/dbraw/zinc/32/95/23/993329523.db2.gz GWMHAHQAUYALQK-QTJJRWQNSA-N 2 0 236.359 1.142 20 0 BDADRP CC(C)(C)[C@H](O)C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC000380684777 993341425 /nfs/dbraw/zinc/34/14/25/993341425.db2.gz HFWVMXWZQLDURQ-VXGBXAGGSA-N 2 0 228.380 1.454 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(C)C2)CCO1 ZINC001576598206 993364663 /nfs/dbraw/zinc/36/46/63/993364663.db2.gz MQTIPJUNQRBBRM-RQJABVFESA-N 2 0 238.375 1.343 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C2CC3(CC([NH3+])C3)C2)CCN1C ZINC001576623968 993373945 /nfs/dbraw/zinc/37/39/45/993373945.db2.gz NJUHNTBQPKXTSA-SGGXFHKZSA-N 2 0 237.391 1.329 20 0 BDADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C[C@]2(O)CC[NH2+]C2)C1 ZINC001576646438 993381706 /nfs/dbraw/zinc/38/17/06/993381706.db2.gz DBEUIYYGQXRDAL-XQHKEYJVSA-N 2 0 226.364 1.125 20 0 BDADRP C[C@@H]1CCC[C@@H](C[NH2+]CC2C[NH2+]C2)[C@@H]1C ZINC001576678342 993382161 /nfs/dbraw/zinc/38/21/61/993382161.db2.gz NHAWQXVTOBYXRO-WZRBSPASSA-N 2 0 210.365 1.868 20 0 BDADRP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@@H](C)C1 ZINC000381243529 993383739 /nfs/dbraw/zinc/38/37/39/993383739.db2.gz MPQBUQRLVBTQPD-OLZOCXBDSA-N 2 0 228.380 1.421 20 0 BDADRP C(C1CC1)[NH+]1CCC([NH2+][C@H]2CCSC2)CC1 ZINC000381371882 993387384 /nfs/dbraw/zinc/38/73/84/993387384.db2.gz HSOPDLHVTDVCCV-ZDUSSCGKSA-N 2 0 240.416 1.956 20 0 BDADRP C[C@H]1CCC[C@@H]1C[NH2+]Cc1c(C[NH3+])cnn1C ZINC001576681813 993393044 /nfs/dbraw/zinc/39/30/44/993393044.db2.gz OCEJEORXRKYEFM-WDEREUQCSA-N 2 0 236.363 1.405 20 0 BDADRP C[C@@H]1CCC[C@H]1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC001576681776 993393502 /nfs/dbraw/zinc/39/35/02/993393502.db2.gz NGEVARSRVMXKIU-IGJPJIBNSA-N 2 0 208.349 1.764 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CCC[C@@]12CCOC2 ZINC000381506773 993402212 /nfs/dbraw/zinc/40/22/12/993402212.db2.gz FFHZWNPUHNWXIG-ZDUSSCGKSA-N 2 0 224.348 1.241 20 0 BDADRP C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CCC[NH2+]C1CC1 ZINC001576730988 993408352 /nfs/dbraw/zinc/40/83/52/993408352.db2.gz BPRBWXUQKRSAAB-YRGRVCCFSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@H]2COC(C)(C)O2)C[C@H]1C[NH3+] ZINC001576731686 993410587 /nfs/dbraw/zinc/41/05/87/993410587.db2.gz MVSLRVJEHNTKJU-UTUOFQBUSA-N 2 0 242.363 1.055 20 0 BDADRP C[C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1O ZINC001576729536 993410967 /nfs/dbraw/zinc/41/09/67/993410967.db2.gz QEDCICAIHADYSM-JWURUJNWSA-N 2 0 238.375 1.220 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1CO ZINC001576751691 993414608 /nfs/dbraw/zinc/41/46/08/993414608.db2.gz DHMZUIRUAXCWJA-FVCCEPFGSA-N 2 0 226.364 1.125 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+]CCOC(F)(F)F)CC1 ZINC000381742498 993415504 /nfs/dbraw/zinc/41/55/04/993415504.db2.gz PFGYZBOTQXBJRV-VIFPVBQESA-N 2 0 240.269 1.597 20 0 BDADRP COC[C@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000381802510 993426753 /nfs/dbraw/zinc/42/67/53/993426753.db2.gz DROJZPLHJHWKEQ-NWDGAFQWSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](NCc2cc(N(C)C)cc[nH+]2)C1 ZINC001576849892 993430790 /nfs/dbraw/zinc/43/07/90/993430790.db2.gz MGUCACKZXXZKFB-RYUDHWBXSA-N 2 0 248.374 1.235 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+]C1CC2(CC([NH3+])C2)C1 ZINC001576853125 993434884 /nfs/dbraw/zinc/43/48/84/993434884.db2.gz HETOEPBBLPDKCP-FDODLTCHSA-N 2 0 224.348 1.271 20 0 BDADRP C[C@H](C[NH3+])CN[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382028572 993437512 /nfs/dbraw/zinc/43/75/12/993437512.db2.gz CCTUAMCFVLGZFV-HIFRSBDPSA-N 2 0 247.386 1.445 20 0 BDADRP C[C@H]1Cc2n[nH]cc2C[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC001576861800 993439252 /nfs/dbraw/zinc/43/92/52/993439252.db2.gz HYAZJZCTQNDBIM-RYUDHWBXSA-N 2 0 248.374 1.404 20 0 BDADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc2c[nH+]cn2c1 ZINC001576886132 993445715 /nfs/dbraw/zinc/44/57/15/993445715.db2.gz ODYXLPYMNBXZHQ-CABZTGNLSA-N 2 0 244.298 1.271 20 0 BDADRP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001576903345 993450345 /nfs/dbraw/zinc/45/03/45/993450345.db2.gz IIOQIURMAHRXEV-VEYOONMUSA-N 2 0 224.348 1.268 20 0 BDADRP C[C@@H]1OCC[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)[C@H]1C ZINC001576903136 993450326 /nfs/dbraw/zinc/45/03/26/993450326.db2.gz GWLLUBLTZDSTMF-FIQHERPVSA-N 2 0 212.337 1.223 20 0 BDADRP CCC(C)(C)OCC[NH2+]CC1(C[NH3+])CC1 ZINC001576947961 993462414 /nfs/dbraw/zinc/46/24/14/993462414.db2.gz INYNBGPIDOHFNL-UHFFFAOYSA-N 2 0 214.353 1.520 20 0 BDADRP CC[C@H](C)[C@H](CN(C)[C@@H](C)C[NH3+])OC ZINC001576960019 993466891 /nfs/dbraw/zinc/46/68/91/993466891.db2.gz AEHDZVBGVMGXJI-DCAQKATOSA-N 2 0 202.342 1.327 20 0 BDADRP CC[C@H](C)C[C@@H](CO)[NH2+]CC(C)(C)C[NH3+] ZINC001576971450 993475174 /nfs/dbraw/zinc/47/51/74/993475174.db2.gz PJFDDOABFSIGQF-QWRGUYRKSA-N 2 0 216.369 1.358 20 0 BDADRP CC[C@@H](C)C[NH2+]CCCCCN1CC[NH2+]CC1 ZINC001576992825 993481806 /nfs/dbraw/zinc/48/18/06/993481806.db2.gz PCULJMPPNLKUPB-CQSZACIVSA-N 2 0 241.423 1.698 20 0 BDADRP CC[C@H](C)[N@H+](CCO)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576996423 993482506 /nfs/dbraw/zinc/48/25/06/993482506.db2.gz RDJYWSREIZGNCU-SDDRHHMPSA-N 2 0 214.353 1.207 20 0 BDADRP CCC(CC)(C[NH3+])[NH2+]C[C@@H](OC)[C@@H]1CCOC1 ZINC001577059562 993492716 /nfs/dbraw/zinc/49/27/16/993492716.db2.gz QBNVRHFBQWVTKC-VXGBXAGGSA-N 2 0 244.379 1.145 20 0 BDADRP [NH3+]C[C@H]1CCCCN(Cc2cncc(F)c2)C1 ZINC000383567590 993501271 /nfs/dbraw/zinc/50/12/71/993501271.db2.gz BKEPBYNUNFTUJJ-LLVKDONJSA-N 2 0 237.322 1.782 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@H](C)[C@@H]1COc2ccccc2C1 ZINC001577124438 993509423 /nfs/dbraw/zinc/50/94/23/993509423.db2.gz APPQYBVDUPVGFO-XBFCOCLRSA-N 2 0 248.370 1.953 20 0 BDADRP C[C@@H]1CN(C2CC[NH+](C3CC3)CC2)C[C@@H](C)[NH2+]1 ZINC000383784876 993518418 /nfs/dbraw/zinc/51/84/18/993518418.db2.gz PUYWOELVPZBHAW-VXGBXAGGSA-N 2 0 237.391 1.295 20 0 BDADRP Cc1nc2c(n1C1CC[NH+](C)CC1)C[NH2+]CC2 ZINC000383898814 993526012 /nfs/dbraw/zinc/52/60/12/993526012.db2.gz NGMGMGBXJWIBBZ-UHFFFAOYSA-N 2 0 234.347 1.104 20 0 BDADRP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@@H](C)C[C@@H]1C ZINC000384000678 993535529 /nfs/dbraw/zinc/53/55/29/993535529.db2.gz OLLAPCJVVJXYOE-RDBSUJKOSA-N 2 0 242.407 1.810 20 0 BDADRP Cc1ccc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)nc1 ZINC000384016294 993535639 /nfs/dbraw/zinc/53/56/39/993535639.db2.gz QLTYXWNTTDVMPI-CYBMUJFWSA-N 2 0 233.359 1.951 20 0 BDADRP CCC1(O)CC[NH+](C[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC001577233744 993550803 /nfs/dbraw/zinc/55/08/03/993550803.db2.gz PIYPLNUQLYRSPF-NWDGAFQWSA-N 2 0 226.364 1.351 20 0 BDADRP CC[C@]1(CO)CCC[N@@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001577220932 993551383 /nfs/dbraw/zinc/55/13/83/993551383.db2.gz PFICNYVZDNGIDM-YNEHKIRRSA-N 2 0 226.364 1.351 20 0 BDADRP CC[C@H]1C[C@@H](C[NH2+][C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC001577240812 993557983 /nfs/dbraw/zinc/55/79/83/993557983.db2.gz NDEVMAFQERYNKY-YFKTTZPYSA-N 2 0 212.337 1.271 20 0 BDADRP CC[NH+](CC)C1CCN([C@H]2CCC[NH2+]C2)CC1 ZINC000384226205 993562937 /nfs/dbraw/zinc/56/29/37/993562937.db2.gz FISMDDMTRLDMHI-AWEZNQCLSA-N 2 0 239.407 1.545 20 0 BDADRP CCC[C@H](C)[C@@H](CO)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC001577335771 993597808 /nfs/dbraw/zinc/59/78/08/993597808.db2.gz BMUWYFOJAUUNCJ-QNWHQSFQSA-N 2 0 228.380 1.229 20 0 BDADRP CCC[C@@H](C[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)OC ZINC001577357600 993611857 /nfs/dbraw/zinc/61/18/57/993611857.db2.gz BKKBUDUXOFMKDA-BFHYXJOUSA-N 2 0 240.391 1.923 20 0 BDADRP CCC[C@@]1(COC)CCC[N@@H+]1CCC[NH2+]C ZINC001577374600 993635245 /nfs/dbraw/zinc/63/52/45/993635245.db2.gz ANDQLUIHNQKNOE-ZDUSSCGKSA-N 2 0 228.380 1.877 20 0 BDADRP C[N@H+](CCCC[NH3+])CCC[NH+]1CCCC1 ZINC000385198502 993651848 /nfs/dbraw/zinc/65/18/48/993651848.db2.gz AXFHWJDFIJDAFE-UHFFFAOYSA-N 3 0 213.369 1.143 20 0 BDADRP CCCCC1([NH2+]CCN2CC[NH2+]CC2)CC1 ZINC001577418981 993658362 /nfs/dbraw/zinc/65/83/62/993658362.db2.gz HUUZUXREIPJYNQ-UHFFFAOYSA-N 2 0 225.380 1.204 20 0 BDADRP CCCCC1([NH2+]CCOCC[NH3+])CC1 ZINC001577418942 993659573 /nfs/dbraw/zinc/65/95/73/993659573.db2.gz GMHWMWGBPALWKC-UHFFFAOYSA-N 2 0 200.326 1.274 20 0 BDADRP CCCCC1([NH2+]C[C@H](O)CC[NH3+])CC1 ZINC001577419424 993660029 /nfs/dbraw/zinc/66/00/29/993660029.db2.gz RBWSYPFRSNDZBV-SNVBAGLBSA-N 2 0 200.326 1.009 20 0 BDADRP CCCCN(C)C[C@H](C)[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001577447493 993663158 /nfs/dbraw/zinc/66/31/58/993663158.db2.gz HGVYGRULECMRQY-AHPWVWPOSA-N 2 0 239.407 1.576 20 0 BDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)CC1([NH3+])CC1 ZINC001577445335 993664787 /nfs/dbraw/zinc/66/47/87/993664787.db2.gz NJBRCYGGUGILAQ-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)[C@H](CC)[NH2+]C ZINC001577510174 993676461 /nfs/dbraw/zinc/67/64/61/993676461.db2.gz DULJRNRMPFNWCF-RYUDHWBXSA-N 2 0 243.395 1.221 20 0 BDADRP CCC[N@H+](CCC1C[NH2+]C1)CCN(CC)CC ZINC001577519032 993678007 /nfs/dbraw/zinc/67/80/07/993678007.db2.gz FIPLUHJYYZKECC-UHFFFAOYSA-N 2 0 241.423 1.650 20 0 BDADRP C[C@H](CC(F)(F)F)[NH2+]CCSCC[NH3+] ZINC000389718315 993765724 /nfs/dbraw/zinc/76/57/24/993765724.db2.gz BYCDNXPFEQKRPN-SSDOTTSWSA-N 2 0 230.299 1.609 20 0 BDADRP CCn1cncc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000392275534 993848968 /nfs/dbraw/zinc/84/89/68/993848968.db2.gz ZQFAGVPVXRVDEB-UHFFFAOYSA-N 2 0 234.347 1.255 20 0 BDADRP C[C@@H]1C[N@H+](CC2C[C@@H](C)O[C@H](C)C2)C[C@H]1[NH3+] ZINC000724414092 994064456 /nfs/dbraw/zinc/06/44/56/994064456.db2.gz JXABGDJTPCDKSJ-PRULPYPASA-N 2 0 226.364 1.469 20 0 BDADRP Cc1cccnc1C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC001332816928 994368965 /nfs/dbraw/zinc/36/89/65/994368965.db2.gz ZOWWKRHDPZUFFI-OLZOCXBDSA-N 2 0 233.359 1.807 20 0 BDADRP C[C@H]([C@H](C)O)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC001307609223 995415383 /nfs/dbraw/zinc/41/53/83/995415383.db2.gz MRFFDGKJKIDSMV-NEPJUHHUSA-N 2 0 226.364 1.316 20 0 BDADRP C[NH+]1CC[C@@H]2CN(CC[C@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001307784838 995460665 /nfs/dbraw/zinc/46/06/65/995460665.db2.gz IMXYALLJCWNCDU-MCIONIFRSA-N 2 0 237.391 1.107 20 0 BDADRP C[C@H]([C@H](C)O)[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001308040231 995527025 /nfs/dbraw/zinc/52/70/25/995527025.db2.gz KLOLVBQWNACVRO-UPJWGTAASA-N 2 0 249.358 1.361 20 0 BDADRP C[N@H+](CCn1ccnc1)C[C@@H]1CCC[NH+](C)C1 ZINC000336686078 187320956 /nfs/dbraw/zinc/32/09/56/187320956.db2.gz FUYGIIGYEJRWOE-CYBMUJFWSA-N 2 0 236.363 1.157 20 0 BDADRP CCC(CC)(C[NH3+])NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000368009786 168323995 /nfs/dbraw/zinc/32/39/95/168323995.db2.gz PCZNDWGUQAWIGL-GHMZBOCLSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@@H](O)[C@@H](C)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000518519342 398147000 /nfs/dbraw/zinc/14/70/00/398147000.db2.gz RHGYTMJCKQGJMK-NXEZZACHSA-N 2 0 219.288 1.193 20 0 BDADRP COC[C@H](C)C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000580269762 346814986 /nfs/dbraw/zinc/81/49/86/346814986.db2.gz VJKJDAPWDPFFCC-CYBMUJFWSA-N 2 0 242.407 1.981 20 0 BDADRP CC(C)[C@H](CO)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000336762205 187322968 /nfs/dbraw/zinc/32/29/68/187322968.db2.gz NXWSYUHWDHIVPG-RYUDHWBXSA-N 2 0 214.353 1.077 20 0 BDADRP CC(C)(C)[NH2+]CCN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062967747 349503497 /nfs/dbraw/zinc/50/34/97/349503497.db2.gz MGDLRCKKYUYTKK-CYBMUJFWSA-N 2 0 239.407 1.545 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@H](C)Cc1cccs1 ZINC000379574827 398152888 /nfs/dbraw/zinc/15/28/88/398152888.db2.gz LAHAQUUTDFAWQL-NXEZZACHSA-N 2 0 212.362 1.864 20 0 BDADRP C[C@@H](CCO)[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000649869707 398155121 /nfs/dbraw/zinc/15/51/21/398155121.db2.gz KJFLMZISFSGHIS-NWDGAFQWSA-N 2 0 214.353 1.173 20 0 BDADRP C1C[C@@H]2C[C@H]([NH2+][C@@H]3CCCOCC3)CC[N@@H+]2C1 ZINC000157464724 136213827 /nfs/dbraw/zinc/21/38/27/136213827.db2.gz KVJXTTURKVJTNR-MGPQQGTHSA-N 2 0 238.375 1.772 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000580893485 398169188 /nfs/dbraw/zinc/16/91/88/398169188.db2.gz SQPNDKWHRZAEBU-XGFWRYKXSA-N 3 0 237.391 1.234 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCO[C@H]1C ZINC000308712439 136216496 /nfs/dbraw/zinc/21/64/96/136216496.db2.gz ZMZVWBNZWMGDEA-VWYCJHECSA-N 2 0 200.326 1.271 20 0 BDADRP C[C@@H](C(=O)Nc1ccc2c(c1)C[NH2+]C2)[NH+](C)C ZINC000649365711 398177864 /nfs/dbraw/zinc/17/78/64/398177864.db2.gz RXGAWTWFWNCYBP-VIFPVBQESA-N 2 0 233.315 1.178 20 0 BDADRP CC(C)C[N@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000380055515 398182114 /nfs/dbraw/zinc/18/21/14/398182114.db2.gz YEBGHNRLMBDBRU-LBPRGKRZSA-N 2 0 216.369 1.275 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCOCC1CCCC1 ZINC000313278285 398182124 /nfs/dbraw/zinc/18/21/24/398182124.db2.gz FQGTXZIBHKHEQI-UONOGXRCSA-N 2 0 240.391 1.910 20 0 BDADRP CO[C@@H]1CCC[C@H]1C[NH2+][C@H](C)CCCC[NH3+] ZINC000423020152 398161408 /nfs/dbraw/zinc/16/14/08/398161408.db2.gz YYQYSPSHAZSGIE-FRRDWIJNSA-N 2 0 228.380 1.909 20 0 BDADRP CC[C@@H]([NH2+]CCCN1CC[NH2+]CC1)C1CC1 ZINC000423174563 398164137 /nfs/dbraw/zinc/16/41/37/398164137.db2.gz BCAPEXFISOHJNN-CYBMUJFWSA-N 2 0 225.380 1.060 20 0 BDADRP COCC1(CC[NH2+][C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000576227803 365530022 /nfs/dbraw/zinc/53/00/22/365530022.db2.gz IZNDXUDENHYHTH-QWRGUYRKSA-N 2 0 214.353 1.519 20 0 BDADRP Cc1cc(N(C)CC(C)(C)C[NH3+])cc[nH+]1 ZINC000229576485 178097635 /nfs/dbraw/zinc/09/76/35/178097635.db2.gz ZCJLIJLAPSDAIW-UHFFFAOYSA-N 2 0 207.321 1.811 20 0 BDADRP O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647795768 398194281 /nfs/dbraw/zinc/19/42/81/398194281.db2.gz VTQWNBJXWFEQSZ-RYMFRWLXSA-N 2 0 238.375 1.268 20 0 BDADRP CC(C)[NH+]1CCC(N(C)C[C@@H]2CC[NH2+]C2)CC1 ZINC000649411302 398209227 /nfs/dbraw/zinc/20/92/27/398209227.db2.gz FZVARDRXNDXXGO-CYBMUJFWSA-N 2 0 239.407 1.401 20 0 BDADRP C([C@H]1CCCN1C[C@H]1CC[NH2+]C1)[NH+]1CCCC1 ZINC000649411813 398213886 /nfs/dbraw/zinc/21/38/86/398213886.db2.gz DWWZTXDHLFBVTA-UONOGXRCSA-N 2 0 237.391 1.156 20 0 BDADRP C([C@H]1CC[NH2+]C1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000649411811 398214144 /nfs/dbraw/zinc/21/41/44/398214144.db2.gz DWWZTXDHLFBVTA-KBPBESRZSA-N 2 0 237.391 1.156 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1C ZINC000380980431 398216525 /nfs/dbraw/zinc/21/65/25/398216525.db2.gz CHGXLPNFZFJTGS-CHWSQXEVSA-N 2 0 228.380 1.562 20 0 BDADRP C[C@H](C[NH3+])C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000576389166 365582711 /nfs/dbraw/zinc/58/27/11/365582711.db2.gz NJUZIJOOTPACQT-BDAKNGLRSA-N 2 0 221.304 1.240 20 0 BDADRP Cc1cc(C)n(CC[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)n1 ZINC000386750725 398219081 /nfs/dbraw/zinc/21/90/81/398219081.db2.gz GLZVNXHCCAOQHT-STQMWFEESA-N 2 0 236.363 1.169 20 0 BDADRP Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000643512132 398224592 /nfs/dbraw/zinc/22/45/92/398224592.db2.gz QQNZCNVMIWRCMA-XHVZSJERSA-N 2 0 236.363 1.886 20 0 BDADRP Cc1cc(NC[C@](C)(O)C[NH+](C)C)cc[nH+]1 ZINC000229559674 178170140 /nfs/dbraw/zinc/17/01/40/178170140.db2.gz WCEZNLDFSXTTEL-LBPRGKRZSA-N 2 0 223.320 1.115 20 0 BDADRP C[C@H](CNC(=O)C[C@H](C)[NH3+])[N@@H+]1CCCC[C@H]1C ZINC000430762604 398231193 /nfs/dbraw/zinc/23/11/93/398231193.db2.gz OPKPKMPFNRUYFU-QJPTWQEYSA-N 2 0 241.379 1.103 20 0 BDADRP O[C@@H](C[NH2+]CC1=CCCCC1)C[NH+]1CCCC1 ZINC000379789697 361765703 /nfs/dbraw/zinc/76/57/03/361765703.db2.gz AZFNFZSFELRYQW-AWEZNQCLSA-N 2 0 238.375 1.533 20 0 BDADRP O[C@@H]1CCCC[C@H]1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000252791092 136226935 /nfs/dbraw/zinc/22/69/35/136226935.db2.gz SYXQEORIHDDVFO-RWMBFGLXSA-N 2 0 226.364 1.269 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCCOC2)c2ccccc21 ZINC000252777152 136226954 /nfs/dbraw/zinc/22/69/54/136226954.db2.gz KUXJKMIIFIGTHT-ZLKJLUDKSA-N 2 0 232.327 1.900 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@@H](C)OC)C1 ZINC000167102265 538940171 /nfs/dbraw/zinc/94/01/71/538940171.db2.gz WVAISFWRELLGNY-YNEHKIRRSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@H](NCc1ccc(C[NH3+])cc1)[C@H]1CCC[NH2+]1 ZINC000576584634 365632348 /nfs/dbraw/zinc/63/23/48/365632348.db2.gz LIZGBFYLTVVBTR-SMDDNHRTSA-N 3 0 233.359 1.375 20 0 BDADRP C[NH2+][C@H]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000576590048 365633856 /nfs/dbraw/zinc/63/38/56/365633856.db2.gz NKXWEVNSJILPFD-HNNXBMFYSA-N 2 0 245.370 1.126 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc(C[NH3+])cc1 ZINC000576594063 365635125 /nfs/dbraw/zinc/63/51/25/365635125.db2.gz DNWMFBKCUIUBRY-ZWNOBZJWSA-N 2 0 247.342 1.097 20 0 BDADRP Cn1cc(CCC[NH2+][C@H]2CCN(C3CC3)C2)cn1 ZINC000178474476 538952889 /nfs/dbraw/zinc/95/28/89/538952889.db2.gz HKQROXKZWJCUKE-ZDUSSCGKSA-N 2 0 248.374 1.179 20 0 BDADRP C(C1CCCC1)[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000381609176 398266886 /nfs/dbraw/zinc/26/68/86/398266886.db2.gz RJZKPHYSXXMWKF-CHWSQXEVSA-N 2 0 208.349 1.860 20 0 BDADRP C[C@@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)C[NH+](C)C ZINC000378758787 346826477 /nfs/dbraw/zinc/82/64/77/346826477.db2.gz ZQEFCAFWKBNHEK-WUHRBBMRSA-N 2 0 210.365 1.962 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(OC)CCC2)[C@H](C)C1 ZINC000162221742 349593936 /nfs/dbraw/zinc/59/39/36/349593936.db2.gz FXFPQRNEHWDHOD-OLZOCXBDSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622003650 398283916 /nfs/dbraw/zinc/28/39/16/398283916.db2.gz CYNGGMGXAGRUAE-RWMBFGLXSA-N 2 0 225.380 1.173 20 0 BDADRP CC[C@@H](C)N[C@H](CNC(N)=[NH2+])c1ccco1 ZINC000348744142 136237553 /nfs/dbraw/zinc/23/75/53/136237553.db2.gz AFPPCRBKQUTQLD-RKDXNWHRSA-N 2 0 224.308 1.192 20 0 BDADRP c1csc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000031993291 342796064 /nfs/dbraw/zinc/79/60/64/342796064.db2.gz ICPUKNLFHLGDPL-LBPRGKRZSA-N 2 0 222.357 1.934 20 0 BDADRP C[C@H]([NH2+]CCc1cn[nH]c1)C1CC[NH+](C)CC1 ZINC000379580837 538978792 /nfs/dbraw/zinc/97/87/92/538978792.db2.gz KMPZUEMWUVJVBA-NSHDSACASA-N 2 0 236.363 1.272 20 0 BDADRP Cn1ccnc1-c1ccc([C@@H]2COCC[NH2+]2)cc1 ZINC000630053389 361923867 /nfs/dbraw/zinc/92/38/67/361923867.db2.gz UFUDHCAZDLVZHE-ZDUSSCGKSA-N 2 0 243.310 1.748 20 0 BDADRP C[C@H]([NH2+]Cc1cnn(C)c1)C1CC[NH+](C)CC1 ZINC000041159071 538974554 /nfs/dbraw/zinc/97/45/54/538974554.db2.gz GFYGSFVVPZDDQZ-NSHDSACASA-N 2 0 236.363 1.240 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](O)CC(C)(C)C ZINC000226066662 536595158 /nfs/dbraw/zinc/59/51/58/536595158.db2.gz JUPFANAIQQSCDV-NEPJUHHUSA-N 2 0 246.395 1.127 20 0 BDADRP COC[C@@H]([NH2+]CCC[NH2+]C(C)C)C(C)C ZINC000583988541 342829910 /nfs/dbraw/zinc/82/99/10/342829910.db2.gz ZAPKSLVOLKMVPA-GFCCVEGCSA-N 2 0 216.369 1.635 20 0 BDADRP COCCC[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000131895229 398294511 /nfs/dbraw/zinc/29/45/11/398294511.db2.gz LHBMGKLIOHGJIO-ZDUSSCGKSA-N 2 0 236.315 1.571 20 0 BDADRP Cn1nccc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335634216 136241405 /nfs/dbraw/zinc/24/14/05/136241405.db2.gz NSQXKOAFABTUCH-OLZOCXBDSA-N 2 0 248.374 1.242 20 0 BDADRP C[C@H](CCCCO)[NH2+]CCC[NH+](C)C ZINC000389294505 539015966 /nfs/dbraw/zinc/01/59/66/539015966.db2.gz JLMYXNVAZXAIGL-LLVKDONJSA-N 2 0 202.342 1.079 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@H]2C[C@@](C)(O)C2)CC1 ZINC000335645696 136243612 /nfs/dbraw/zinc/24/36/12/136243612.db2.gz ICTLPLKCXFKBBU-BETUJISGSA-N 2 0 226.364 1.362 20 0 BDADRP CC(C)[C@](C)(O)C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000331895969 398312875 /nfs/dbraw/zinc/31/28/75/398312875.db2.gz DROHCUOLOJROCA-YNEHKIRRSA-N 2 0 228.380 1.643 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@H]2CC[C@@H](C)O2)CC1 ZINC000148614943 398313519 /nfs/dbraw/zinc/31/35/19/398313519.db2.gz JQWACMFEIQKXHW-DGCLKSJQSA-N 2 0 226.364 1.628 20 0 BDADRP CCOC[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)C(C)C ZINC000233792686 342912266 /nfs/dbraw/zinc/91/22/66/342912266.db2.gz OEBKYAATNJHKDU-AGIUHOORSA-N 2 0 228.380 1.907 20 0 BDADRP CC[C@@H](O)[C@H](CC)[NH2+]C1CCC([NH3+])CC1 ZINC000313094052 259330991 /nfs/dbraw/zinc/33/09/91/259330991.db2.gz QMMWLTHKNQUJLJ-MMVSWEMESA-N 2 0 214.353 1.395 20 0 BDADRP C[C@H]([NH3+])CC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000037607962 398332486 /nfs/dbraw/zinc/33/24/86/398332486.db2.gz NZTZTSKICPCKOR-JTQLQIEISA-N 2 0 235.331 1.424 20 0 BDADRP C[C@@H]1CCCC[C@H]1C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000335625632 398341934 /nfs/dbraw/zinc/34/19/34/398341934.db2.gz KMXAVQSIGMXCBB-OLZOCXBDSA-N 2 0 240.391 1.598 20 0 BDADRP CC(C)C[C@H](C)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313354102 259334078 /nfs/dbraw/zinc/33/40/78/259334078.db2.gz QARRZMCEJUKDFR-STQMWFEESA-N 2 0 228.380 1.718 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000223288994 259334044 /nfs/dbraw/zinc/33/40/44/259334044.db2.gz MRINAFGAROUDOV-TUAOUCFPSA-N 2 0 214.353 1.220 20 0 BDADRP CCc1noc(C)c1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351853557 136258066 /nfs/dbraw/zinc/25/80/66/136258066.db2.gz PBDDZJGHUDDIKJ-GXSJLCMTSA-N 2 0 237.347 1.715 20 0 BDADRP CC(C)C[C@@H]1CCCC[N@@H+]1CCOCC[NH3+] ZINC000357089474 187213834 /nfs/dbraw/zinc/21/38/34/187213834.db2.gz UGBHOKDZMWXEFB-ZDUSSCGKSA-N 2 0 228.380 1.862 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccccc2N(C)C)C1 ZINC000351856750 136258398 /nfs/dbraw/zinc/25/83/98/136258398.db2.gz WATJLUKKLBQJAV-CHWSQXEVSA-N 2 0 247.386 1.922 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1C(C)(C)O ZINC000162589529 349759602 /nfs/dbraw/zinc/75/96/02/349759602.db2.gz LZWPCFPQKRSIJL-STQMWFEESA-N 2 0 240.391 1.706 20 0 BDADRP CCN(C#N)CC[NH+]1CCC(n2ccnc2)CC1 ZINC000602782074 349747599 /nfs/dbraw/zinc/74/75/99/349747599.db2.gz UXQVNZRAOFWMRH-UHFFFAOYSA-N 2 0 247.346 1.323 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)[C@H]1CCOC1 ZINC000305250995 529621343 /nfs/dbraw/zinc/62/13/43/529621343.db2.gz HLBSECYRTHQGMQ-RDBSUJKOSA-N 2 0 240.391 1.733 20 0 BDADRP CC(C)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000363218022 187221299 /nfs/dbraw/zinc/22/12/99/187221299.db2.gz DXCAXNNPOBQSAK-CYBMUJFWSA-N 2 0 225.380 1.107 20 0 BDADRP CCC[C@H](CC)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000125112965 187232120 /nfs/dbraw/zinc/23/21/20/187232120.db2.gz NJTWKEYVIWECAN-AWEZNQCLSA-N 2 0 241.423 1.792 20 0 BDADRP CC[NH2+]CCNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000236900580 343114680 /nfs/dbraw/zinc/11/46/80/343114680.db2.gz NDWWVLXCRWCWFZ-CYBMUJFWSA-N 2 0 249.358 1.192 20 0 BDADRP CC(C)[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000127926910 187233006 /nfs/dbraw/zinc/23/30/06/187233006.db2.gz LNSQVRFMNHHJOJ-MGPQQGTHSA-N 2 0 240.391 1.419 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H](C)[C@H]2CCOC2)CC1 ZINC000130584289 343181571 /nfs/dbraw/zinc/18/15/71/343181571.db2.gz RACHDCIVBUFRGH-JSGCOSHPSA-N 2 0 240.391 1.733 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)OCO3)C1 ZINC000093210139 343151350 /nfs/dbraw/zinc/15/13/50/343151350.db2.gz FHDAUBWPGKKCAA-NEPJUHHUSA-N 2 0 248.326 1.775 20 0 BDADRP Cc1c([C@H](C)[NH2+]CC2CC[NH2+]CC2)cnn1C ZINC000094010196 343151946 /nfs/dbraw/zinc/15/19/46/343151946.db2.gz PXGZBRYBWIGCDB-JTQLQIEISA-N 2 0 236.363 1.379 20 0 BDADRP C[C@H](O)[C@H](C)[NH2+]CCC1CC[NH+](C)CC1 ZINC000125164783 343165721 /nfs/dbraw/zinc/16/57/21/343165721.db2.gz YHKRNXPGDIMGAE-QWRGUYRKSA-N 2 0 214.353 1.077 20 0 BDADRP CC[NH+](CC)CCC[NH2+]C[C@H](C)COC ZINC000153343998 343198343 /nfs/dbraw/zinc/19/83/43/343198343.db2.gz LIZCINSYYSJKEX-LBPRGKRZSA-N 2 0 216.369 1.590 20 0 BDADRP Cc1cc[nH+]c(NCC[C@H]2CC[NH2+]C2)c1 ZINC000082487689 136276863 /nfs/dbraw/zinc/27/68/63/136276863.db2.gz QKTBFPIGWNDNFF-LLVKDONJSA-N 2 0 205.305 1.802 20 0 BDADRP Cn1nccc1CC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000634688217 343246604 /nfs/dbraw/zinc/24/66/04/343246604.db2.gz LXTCJAZCUZWJPB-AWEZNQCLSA-N 2 0 248.374 1.038 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)O1 ZINC000634688540 343249122 /nfs/dbraw/zinc/24/91/22/343249122.db2.gz VVAOQCYLSOQWDY-SYQHCUMBSA-N 2 0 238.375 1.485 20 0 BDADRP COC[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000308572452 488208752 /nfs/dbraw/zinc/20/87/52/488208752.db2.gz CKBPUJUSXPSNHZ-QWRGUYRKSA-N 2 0 200.326 1.095 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)CCO1 ZINC000069890707 343293544 /nfs/dbraw/zinc/29/35/44/343293544.db2.gz SSDAACSAHRBDOH-RYUDHWBXSA-N 2 0 214.353 1.485 20 0 BDADRP Cn1ccnc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335635224 136300532 /nfs/dbraw/zinc/30/05/32/136300532.db2.gz SBROSVGWARVCTJ-OLZOCXBDSA-N 2 0 248.374 1.242 20 0 BDADRP Cc1c[nH]nc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335635194 136300754 /nfs/dbraw/zinc/30/07/54/136300754.db2.gz QXEHSDVTOTWGAU-CHWSQXEVSA-N 2 0 248.374 1.540 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]Cc2cccc3c[nH]nc32)CC[NH2+]1 ZINC000335637735 136302937 /nfs/dbraw/zinc/30/29/37/136302937.db2.gz HIYLHYJLQBMERZ-ZWNOBZJWSA-N 2 0 244.342 1.793 20 0 BDADRP [NH3+]C1(C[NH2+][C@@H]2CCCSC2)CCC1 ZINC000335647917 136304405 /nfs/dbraw/zinc/30/44/05/136304405.db2.gz COFOQDLSFARINY-SECBINFHSA-N 2 0 200.351 1.353 20 0 BDADRP C[NH+](C)CCOc1ccc(C[NH2+]C2CC2)cc1 ZINC000033465253 187256700 /nfs/dbraw/zinc/25/67/00/187256700.db2.gz HOKIDAVKGRFOOW-UHFFFAOYSA-N 2 0 234.343 1.879 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]C2CCC([NH3+])CC2)[C@@H](C)C1 ZINC000335675823 136318599 /nfs/dbraw/zinc/31/85/99/136318599.db2.gz PSLZWCZWKASMAT-GFJIZPEISA-N 3 0 239.407 1.576 20 0 BDADRP C[NH+](C)C1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000335691338 136325453 /nfs/dbraw/zinc/32/54/53/136325453.db2.gz CRWXSCOTYYOBEN-LBPRGKRZSA-N 2 0 226.364 1.439 20 0 BDADRP CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH+](C)C)[NH+](C)C ZINC000349147380 136325964 /nfs/dbraw/zinc/32/59/64/136325964.db2.gz XMTPYTLGZOJBCW-RYUDHWBXSA-N 2 0 243.395 1.029 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@@H](C1CC1)[NH+](C)C ZINC000166255768 136326558 /nfs/dbraw/zinc/32/65/58/136326558.db2.gz VWHCZMKWABGXSK-XBFCOCLRSA-N 3 0 239.407 1.256 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1NC[C@@H](C1CC1)[NH+](C)C ZINC000166255858 136326723 /nfs/dbraw/zinc/32/67/23/136326723.db2.gz VWHCZMKWABGXSK-UBHSHLNASA-N 3 0 239.407 1.256 20 0 BDADRP Cn1cc(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)cn1 ZINC000335729630 136348338 /nfs/dbraw/zinc/34/83/38/136348338.db2.gz VDNOMDIOYJWNGD-AWEZNQCLSA-N 2 0 248.374 1.338 20 0 BDADRP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCOC[C@H]1C ZINC000353969707 136356873 /nfs/dbraw/zinc/35/68/73/136356873.db2.gz CFCYDHFKFHPFDI-SYQHCUMBSA-N 2 0 240.391 1.589 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CCC2(C1)CCOCC2 ZINC000261542389 136374461 /nfs/dbraw/zinc/37/44/61/136374461.db2.gz BZASAJNHSSJMJS-UHFFFAOYSA-N 2 0 238.375 1.489 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000192551650 365750330 /nfs/dbraw/zinc/75/03/30/365750330.db2.gz WCYPBRQNKMXDHA-YPMHNXCESA-N 2 0 226.364 1.343 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000310533193 343528020 /nfs/dbraw/zinc/52/80/20/343528020.db2.gz ONNNGKYBOGMUMO-IGQOVBAYSA-N 2 0 242.407 1.713 20 0 BDADRP C[C@H](Cc1ccsc1)[NH2+]C[C@@H](C)C[NH3+] ZINC000379621691 343585909 /nfs/dbraw/zinc/58/59/09/343585909.db2.gz GFJWXSHIRCTXHE-VHSXEESVSA-N 2 0 212.362 1.864 20 0 BDADRP CC[C@@H]1C[C@H](C)C[N@@H+]1C[C@H]1CNCCO1 ZINC000399148508 488227780 /nfs/dbraw/zinc/22/77/80/488227780.db2.gz GFFCKFGKZRTEOE-QJPTWQEYSA-N 2 0 212.337 1.095 20 0 BDADRP CC(C)([NH3+])CN1CC[NH+](C2CCCC2)CC1 ZINC000052063872 187271065 /nfs/dbraw/zinc/27/10/65/187271065.db2.gz DXIWKOLKJFBVHL-UHFFFAOYSA-N 2 0 225.380 1.284 20 0 BDADRP CC(C)CC[C@@H](C)[NH2+]CCN1CC[C@H](O)C1 ZINC000624332981 343716342 /nfs/dbraw/zinc/71/63/42/343716342.db2.gz FDCCFQPOEQMOME-OLZOCXBDSA-N 2 0 228.380 1.467 20 0 BDADRP CSCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000178642456 346961615 /nfs/dbraw/zinc/96/16/15/346961615.db2.gz KNHOPYAVEAHOOQ-NEPJUHHUSA-N 2 0 228.405 1.766 20 0 BDADRP C[NH2+][C@H](C)Cc1noc([C@H](C(C)C)[C@@H](C)[NH3+])n1 ZINC000584171825 343768712 /nfs/dbraw/zinc/76/87/12/343768712.db2.gz HHGCTLCYGIPYGQ-FXPVBKGRSA-N 2 0 240.351 1.307 20 0 BDADRP C=Cc1ccc(CN2CC[C@@H]([NH3+])C2)cc1 ZINC000238572277 343796244 /nfs/dbraw/zinc/79/62/44/343796244.db2.gz NIJIQELADCZHKO-CYBMUJFWSA-N 2 0 202.301 1.863 20 0 BDADRP C[C@@H]1CN([C@H]2CC[N@H+](C)C[C@H]2C)C[C@@]1(C)C[NH3+] ZINC000382849559 343899007 /nfs/dbraw/zinc/89/90/07/343899007.db2.gz WPEGXRKVEWMARA-YIYPIFLZSA-N 3 0 239.407 1.243 20 0 BDADRP C(C1CC[NH2+]CC1)[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000133343848 187287011 /nfs/dbraw/zinc/28/70/11/187287011.db2.gz CUXSZLVWYWSAMC-CHWSQXEVSA-N 2 0 208.349 1.718 20 0 BDADRP COC[C@@H](C)C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733425 344113090 /nfs/dbraw/zinc/11/30/90/344113090.db2.gz FNTXKMVZKZNGEX-NWDGAFQWSA-N 2 0 228.380 1.637 20 0 BDADRP CC[N@@H+]1CC[C@H](CN[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000086403218 344216785 /nfs/dbraw/zinc/21/67/85/344216785.db2.gz YVYHYWCLCNZAMP-FRRDWIJNSA-N 2 0 225.380 1.188 20 0 BDADRP CC[C@@H](C)[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000518778664 259374841 /nfs/dbraw/zinc/37/48/41/259374841.db2.gz OTOARMHAAZKSRH-GFCCVEGCSA-N 2 0 240.391 1.611 20 0 BDADRP COC(=O)CCCC[NH+]1CCC(CC[NH3+])CC1 ZINC000600711207 344361804 /nfs/dbraw/zinc/36/18/04/344361804.db2.gz RUZFSFPRPUPZRZ-UHFFFAOYSA-N 2 0 242.363 1.391 20 0 BDADRP COC[C@H](C)C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000132708078 344306636 /nfs/dbraw/zinc/30/66/36/344306636.db2.gz XWVWYXCDNRVOEB-WOPDTQHZSA-N 2 0 214.353 1.199 20 0 BDADRP CC[NH+]1CCN([C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000107369463 347050554 /nfs/dbraw/zinc/05/05/54/347050554.db2.gz VTEORMQGTZZPJA-CYBMUJFWSA-N 2 0 225.380 1.107 20 0 BDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CCC[NH3+] ZINC000236910214 344455232 /nfs/dbraw/zinc/45/52/32/344455232.db2.gz UMLUECFJZDETAC-GFCCVEGCSA-N 2 0 241.379 1.106 20 0 BDADRP COC(=O)C(C)(C)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000158242767 344570606 /nfs/dbraw/zinc/57/06/06/344570606.db2.gz WDUPICAVDWSCGT-QWRGUYRKSA-N 2 0 242.363 1.258 20 0 BDADRP CCCCOCC[NH+]1CCC(C[NH3+])CC1 ZINC000049262560 344601344 /nfs/dbraw/zinc/60/13/44/344601344.db2.gz ZGALGVSNVSCYEK-UHFFFAOYSA-N 2 0 214.353 1.474 20 0 BDADRP Fc1cnccc1N1CC[NH+]2CCC1CC2 ZINC000641525814 362482151 /nfs/dbraw/zinc/48/21/51/362482151.db2.gz CHIFLPMDGJQUTI-UHFFFAOYSA-N 2 0 221.279 1.505 20 0 BDADRP Cc1ncc(CNC[C@@H]([NH3+])C(C)C)s1 ZINC000049538869 344651891 /nfs/dbraw/zinc/65/18/91/344651891.db2.gz MXKLVMNUVNHOMV-SNVBAGLBSA-N 2 0 213.350 1.524 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](C[C@@H]2CCCC[C@H]2O)C1 ZINC000382030639 347073586 /nfs/dbraw/zinc/07/35/86/347073586.db2.gz DGEJQYLXLBRLEN-YNEHKIRRSA-N 2 0 226.364 1.208 20 0 BDADRP CN(CC[NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000583391708 344878012 /nfs/dbraw/zinc/87/80/12/344878012.db2.gz DLCODUPQGSQOCF-KBPBESRZSA-N 2 0 247.386 1.982 20 0 BDADRP C[C@H](O)C[C@H](C)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339069038 537870863 /nfs/dbraw/zinc/87/08/63/537870863.db2.gz UJZVDLDKDHHOBS-XDQVBPFNSA-N 2 0 240.391 1.610 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(C)(C)O)[C@H](C)C1 ZINC000079462627 344976536 /nfs/dbraw/zinc/97/65/36/344976536.db2.gz COWUYRKVGNKKMN-OLZOCXBDSA-N 2 0 242.407 1.810 20 0 BDADRP Cn1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cn1 ZINC000248131986 345051254 /nfs/dbraw/zinc/05/12/54/345051254.db2.gz OOIIJDVXAFDBBI-UONOGXRCSA-N 2 0 248.374 1.336 20 0 BDADRP CCCC[C@@H]([NH3+])C(=O)NCC[N@H+](C)CCCC ZINC000154550985 345041903 /nfs/dbraw/zinc/04/19/03/345041903.db2.gz OVWWYHYHPRVTKD-GFCCVEGCSA-N 2 0 243.395 1.352 20 0 BDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)C1(C)CC1 ZINC000155079715 345063946 /nfs/dbraw/zinc/06/39/46/345063946.db2.gz CZCSJFGNJBMLFN-CHWSQXEVSA-N 2 0 239.407 1.401 20 0 BDADRP CC(C)[C@H](C[NH3+])CN1CCC2(CC[NH2+]2)CC1 ZINC000634996599 345189696 /nfs/dbraw/zinc/18/96/96/345189696.db2.gz OSOBUNUFUDYAAD-GFCCVEGCSA-N 2 0 225.380 1.045 20 0 BDADRP CC(C)[C@H](C[NH3+])C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000634991596 345177447 /nfs/dbraw/zinc/17/74/47/345177447.db2.gz KHRBBZXVFYFJDK-DGAVXFQQSA-N 3 0 239.407 1.277 20 0 BDADRP CC(C)[C@H]([NH3+])CCN(C)C[C@H](C[NH3+])C(C)C ZINC000634991437 345177526 /nfs/dbraw/zinc/17/75/26/345177526.db2.gz DNKAROXGKHIJLC-QWHCGFSZSA-N 2 0 229.412 1.523 20 0 BDADRP C(N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)C12CC(C1)C[NH2+]2 ZINC000634994488 345181829 /nfs/dbraw/zinc/18/18/29/345181829.db2.gz FIJOFXZYFPUDMN-FUUBYGMNSA-N 2 0 249.402 1.060 20 0 BDADRP C[N@@H+]1CCC[C@H]2CN(CC34CC(C3)C[NH2+]4)CC[C@@H]21 ZINC000634993480 345190731 /nfs/dbraw/zinc/19/07/31/345190731.db2.gz WBBRXVGBVHKRLH-GQKFXUNGSA-N 2 0 249.402 1.155 20 0 BDADRP [NH3+]C[C@H](NCC12CC(C1)C[NH2+]2)C1CCCCC1 ZINC000634994864 345182597 /nfs/dbraw/zinc/18/25/97/345182597.db2.gz ORWPQGIPOSJNTP-QRMWWUJWSA-N 2 0 237.391 1.236 20 0 BDADRP CC(C)[C@H](C[NH3+])C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000634995080 345183622 /nfs/dbraw/zinc/18/36/22/345183622.db2.gz UNCQMEKSTMJIAW-ZIAGYGMSSA-N 3 0 239.407 1.293 20 0 BDADRP C[C@H]([NH3+])c1ccc(CNCC23CC(C2)C[NH2+]3)cc1 ZINC000634995210 345183912 /nfs/dbraw/zinc/18/39/12/345183912.db2.gz YFYRMHODHJJOSF-ZOODHJKOSA-N 2 0 245.370 1.548 20 0 BDADRP CC(C)[C@@H](C[NH3+])C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000634995612 345185179 /nfs/dbraw/zinc/18/51/79/345185179.db2.gz KJNNMQZNADFENM-LBPRGKRZSA-N 3 0 227.396 1.197 20 0 BDADRP CC(C)[C@@H](C[NH3+])CNc1ccc(C[NH3+])cc1 ZINC000634996106 345186657 /nfs/dbraw/zinc/18/66/57/345186657.db2.gz ZKLLFLUBUODXBF-LBPRGKRZSA-N 2 0 221.348 1.788 20 0 BDADRP CC(C)[C@H](C[NH3+])CN1C[C@H]([NH3+])Cc2ccccc21 ZINC000634996408 345187312 /nfs/dbraw/zinc/18/73/12/345187312.db2.gz IWRCITYAGNSAKX-ZIAGYGMSSA-N 2 0 247.386 1.607 20 0 BDADRP CC(C)[C@@H](C[NH3+])C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000634993794 345191881 /nfs/dbraw/zinc/19/18/81/345191881.db2.gz GTYWKOVMWCMMAP-OLZOCXBDSA-N 2 0 227.396 1.278 20 0 BDADRP C[C@@H](CO)N(CC1CCC1)CC12CC(C1)C[NH2+]2 ZINC000634996723 345192007 /nfs/dbraw/zinc/19/20/07/345192007.db2.gz RYAHGDANTDRBCP-XGNXJENSSA-N 2 0 238.375 1.221 20 0 BDADRP CC(C)[C@@H](C[NH3+])CN[C@@H]1CC[NH2+]C12CCC2 ZINC000634997647 345193261 /nfs/dbraw/zinc/19/32/61/345193261.db2.gz PUELYPFJCRBMSD-NWDGAFQWSA-N 2 0 225.380 1.092 20 0 BDADRP C[C@]1(CN2CCCCC[C@H]([NH3+])C2)CC[NH2+]C1 ZINC000634997808 345196657 /nfs/dbraw/zinc/19/66/57/345196657.db2.gz SZFXNGSFGKKBPB-STQMWFEESA-N 2 0 225.380 1.189 20 0 BDADRP c1cc2n(n1)CCC[C@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000635001744 345202583 /nfs/dbraw/zinc/20/25/83/345202583.db2.gz FMNTVTCQFQFKRK-GFCCVEGCSA-N 2 0 234.347 1.307 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000635001247 345202858 /nfs/dbraw/zinc/20/28/58/345202858.db2.gz LPKMFEICUAIOIH-WHOHXGKFSA-N 2 0 214.353 1.515 20 0 BDADRP CC(C)(C)[NH2+]CCN[C@H]1CCCn2nccc21 ZINC000635002215 345204128 /nfs/dbraw/zinc/20/41/28/345204128.db2.gz OZBCWULSYSOEPS-NSHDSACASA-N 2 0 236.363 1.696 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000635003637 345206237 /nfs/dbraw/zinc/20/62/37/345206237.db2.gz BCSCFDHWBMKPTE-YDHLFZDLSA-N 2 0 249.402 1.662 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000635003902 345207105 /nfs/dbraw/zinc/20/71/05/345207105.db2.gz MJCMEXPPNSQOHM-UTUOFQBUSA-N 2 0 214.353 1.397 20 0 BDADRP CCC[C@H](CCO)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000635004441 345207778 /nfs/dbraw/zinc/20/77/78/345207778.db2.gz OMFMTLJIXUQXLZ-FKJOKYEKSA-N 2 0 226.364 1.410 20 0 BDADRP CC(C)(F)C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000635004860 345208414 /nfs/dbraw/zinc/20/84/14/345208414.db2.gz QNAAEGQXRQOAIP-SDDRHHMPSA-N 2 0 244.354 1.481 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000635005294 345209047 /nfs/dbraw/zinc/20/90/47/345209047.db2.gz UEUTUHJWMOBVIX-QJPTWQEYSA-N 2 0 214.353 1.268 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635005932 345209710 /nfs/dbraw/zinc/20/97/10/345209710.db2.gz QMBYYEPWNPCOIE-AVGNSLFASA-N 3 0 227.396 1.611 20 0 BDADRP C[C@H]1OCC[C@H]1[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635005998 345209737 /nfs/dbraw/zinc/20/97/37/345209737.db2.gz ANTBQOLATXWWQJ-IAQYHMDHSA-N 2 0 246.354 1.599 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635006464 345210603 /nfs/dbraw/zinc/21/06/03/345210603.db2.gz RJHIPQQJWQOXNH-JHJVBQTASA-N 2 0 228.380 1.645 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)[C@@H]1CCOC1 ZINC000635010225 345212934 /nfs/dbraw/zinc/21/29/34/345212934.db2.gz JEVFZKJITWTNSF-XQQFMLRXSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H]1COCC[C@H]1[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635011883 345213838 /nfs/dbraw/zinc/21/38/38/345213838.db2.gz PXACSZVVTSTCSF-FRRDWIJNSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)[C@@H](C)O1 ZINC000635007777 345215281 /nfs/dbraw/zinc/21/52/81/345215281.db2.gz XUQYJLJDFZSVTG-VEGXAWMVSA-N 2 0 226.364 1.659 20 0 BDADRP CC[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)[C@H]1CCOC1 ZINC000635008245 345215940 /nfs/dbraw/zinc/21/59/40/345215940.db2.gz SMURALCTTRUBMP-XDQVBPFNSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635008429 345215993 /nfs/dbraw/zinc/21/59/93/345215993.db2.gz UFMRDWNOASOIII-QJPTWQEYSA-N 2 0 227.396 1.480 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000053033561 345338682 /nfs/dbraw/zinc/33/86/82/345338682.db2.gz XJBOOIHAQVDJFM-RYUDHWBXSA-N 2 0 212.337 1.097 20 0 BDADRP Cc1n[nH]cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367601845 187302178 /nfs/dbraw/zinc/30/21/78/187302178.db2.gz PWQNXLLAKGCHPE-MGPQQGTHSA-N 2 0 248.374 1.681 20 0 BDADRP C[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCS1 ZINC000158587134 345352738 /nfs/dbraw/zinc/35/27/38/345352738.db2.gz MRNQIJPBLXSYQZ-JTQLQIEISA-N 2 0 214.378 1.423 20 0 BDADRP Cc1nc(C)c(C[NH2+]CCCC[NH+](C)C)o1 ZINC000390295896 345359016 /nfs/dbraw/zinc/35/90/16/345359016.db2.gz YHMAAHVLAQIXHY-UHFFFAOYSA-N 2 0 225.336 1.723 20 0 BDADRP COCCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158906328 345389524 /nfs/dbraw/zinc/38/95/24/345389524.db2.gz CDLYIXOXIZCYQS-OLZOCXBDSA-N 2 0 226.364 1.439 20 0 BDADRP COCCCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000158707917 345368816 /nfs/dbraw/zinc/36/88/16/345368816.db2.gz ATHULPHXJVTDGX-FUNVUKJBSA-N 2 0 226.364 1.628 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)CCOC)C1 ZINC000446780485 537896327 /nfs/dbraw/zinc/89/63/27/537896327.db2.gz KNKPKLVGKRDNCM-OLZOCXBDSA-N 2 0 228.380 1.685 20 0 BDADRP CC(C)(O)C(C)(C)C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000393598571 345428004 /nfs/dbraw/zinc/42/80/04/345428004.db2.gz MCPIGECDUNHEIU-WDEREUQCSA-N 2 0 228.380 1.501 20 0 BDADRP Cc1cc(N2CCC[C@H](CC[NH3+])C2)cc[nH+]1 ZINC000159503859 345439253 /nfs/dbraw/zinc/43/92/53/345439253.db2.gz JHRKBZLRDMYMQB-GFCCVEGCSA-N 2 0 219.332 1.955 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCC(C)(C)[NH3+] ZINC000082241809 345497590 /nfs/dbraw/zinc/49/75/90/345497590.db2.gz MBXASHPPIODBLK-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP CC(C)N(CC[NH2+][C@@H](C)CCC[NH3+])C(C)C ZINC000336666949 187305415 /nfs/dbraw/zinc/30/54/15/187305415.db2.gz QIIUXJSHMJCECQ-ZDUSSCGKSA-N 2 0 229.412 1.822 20 0 BDADRP C[C@H]1CCC[C@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000088728190 345544403 /nfs/dbraw/zinc/54/44/03/345544403.db2.gz BVPZRXMSXOFEBP-NWDGAFQWSA-N 2 0 226.364 1.221 20 0 BDADRP CC(C)COCCC[NH2+][C@H]1CN(C)C[C@H]1C ZINC000336690217 187306924 /nfs/dbraw/zinc/30/69/24/187306924.db2.gz WKVHEQOMEYJOQA-OLZOCXBDSA-N 2 0 228.380 1.589 20 0 BDADRP COc1ccc(CNC[C@@H]([NH3+])C(C)C)cc1 ZINC000203730695 345731153 /nfs/dbraw/zinc/73/11/53/345731153.db2.gz PKIUNVJQWHQCOA-CYBMUJFWSA-N 2 0 222.332 1.768 20 0 BDADRP COC[C@H](C)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000070584824 345788576 /nfs/dbraw/zinc/78/85/76/345788576.db2.gz AJZQGRAXMFGCOQ-NWDGAFQWSA-N 2 0 214.353 1.484 20 0 BDADRP C[NH+]1CCC(C[NH2+]Cc2cnc(C3CC3)o2)CC1 ZINC000628214160 345887032 /nfs/dbraw/zinc/88/70/32/345887032.db2.gz MRQOCWYKXDDDRW-UHFFFAOYSA-N 2 0 249.358 1.983 20 0 BDADRP C[C@H]1CN(C)CC[C@@H]1[NH2+]C1CCOCC1 ZINC000119021350 187311843 /nfs/dbraw/zinc/31/18/43/187311843.db2.gz PZGOPBRVWUOTJM-JQWIXIFHSA-N 2 0 212.337 1.095 20 0 BDADRP Cc1cc(N2CCC[N@@H+](C)CC2)cc[nH+]1 ZINC000145650543 345940076 /nfs/dbraw/zinc/94/00/76/345940076.db2.gz YWOQBKWAIJAGLY-UHFFFAOYSA-N 2 0 205.305 1.532 20 0 BDADRP COC[C@H](C)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000163539123 323103698 /nfs/dbraw/zinc/10/36/98/323103698.db2.gz AFODEZAYXPQUHN-GHMZBOCLSA-N 2 0 214.353 1.328 20 0 BDADRP CC(C)[C@H](O)CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000571038342 323104405 /nfs/dbraw/zinc/10/44/05/323104405.db2.gz MNGRVQWCPJJGLA-JHJVBQTASA-N 2 0 228.380 1.371 20 0 BDADRP CCCN(C[C@@H]1CC[C@@H](C)O1)[C@H]1CC[NH2+]C1 ZINC000249972218 362663515 /nfs/dbraw/zinc/66/35/15/362663515.db2.gz KYBJFCZSYRJSNH-AGIUHOORSA-N 2 0 226.364 1.628 20 0 BDADRP CC(C)[NH2+]CCCNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000151772310 346241082 /nfs/dbraw/zinc/24/10/82/346241082.db2.gz FIQAYTFGDXTDAO-NEPJUHHUSA-N 2 0 241.379 1.008 20 0 BDADRP CC(C)OC(=O)CC[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000603432993 349953906 /nfs/dbraw/zinc/95/39/06/349953906.db2.gz LTUMDQMXBCAICY-UWVGGRQHSA-N 2 0 228.336 1.044 20 0 BDADRP COC(=O)CC1(C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000603431862 349953194 /nfs/dbraw/zinc/95/31/94/349953194.db2.gz HMPKJPKCIVQCEU-UWVGGRQHSA-N 2 0 240.347 1.045 20 0 BDADRP C1C([NH2+]C2CCOCC2)CC1[NH+]1CCCCC1 ZINC000336466303 187368049 /nfs/dbraw/zinc/36/80/49/187368049.db2.gz VBJMLJCRHPEYJB-UHFFFAOYSA-N 2 0 238.375 1.772 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000300362963 346432204 /nfs/dbraw/zinc/43/22/04/346432204.db2.gz ROZWIIOHVIXSBP-TUAOUCFPSA-N 2 0 212.337 1.273 20 0 BDADRP O[C@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157906605 346417324 /nfs/dbraw/zinc/41/73/24/346417324.db2.gz PTIUQMLIXIWWRY-NDBYEHHHSA-N 2 0 224.348 1.116 20 0 BDADRP CC[C@H]1C[N@H+](CCc2cncn2C)CC[C@H]1[NH3+] ZINC000641797615 362744810 /nfs/dbraw/zinc/74/48/10/362744810.db2.gz DLHCSSIWFIUFHZ-WCQYABFASA-N 2 0 236.363 1.022 20 0 BDADRP CCc1nc(C)c(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)o1 ZINC000641799663 362747951 /nfs/dbraw/zinc/74/79/51/362747951.db2.gz YTUKYOOIXBYMDE-KOLCDFICSA-N 2 0 237.347 1.715 20 0 BDADRP CCc1nc(C)c(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)o1 ZINC000641799661 362748765 /nfs/dbraw/zinc/74/87/65/362748765.db2.gz YTUKYOOIXBYMDE-GXSJLCMTSA-N 2 0 237.347 1.715 20 0 BDADRP C[NH+](C)CCOC1CC[NH+](CC2(C)CC2)CC1 ZINC000580612118 365814700 /nfs/dbraw/zinc/81/47/00/365814700.db2.gz IKUPACSSRIOQSZ-UHFFFAOYSA-N 2 0 240.391 1.829 20 0 BDADRP Cc1nccn1CCC[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641803943 362761836 /nfs/dbraw/zinc/76/18/36/362761836.db2.gz WEZJPDOKIJIBME-VXGBXAGGSA-N 2 0 236.363 1.297 20 0 BDADRP CCC(F)(F)CN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000641800396 362751307 /nfs/dbraw/zinc/75/13/07/362751307.db2.gz XEYNLSZIUMIFBW-VHSXEESVSA-N 2 0 220.307 1.948 20 0 BDADRP CCc1nocc1CN[C@H]1C[C@H]([NH3+])C1(C)C ZINC000641800440 362752302 /nfs/dbraw/zinc/75/23/02/362752302.db2.gz BJPITHNPVXUEOM-QWRGUYRKSA-N 2 0 223.320 1.452 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCO[C@H]1CC1(F)F ZINC000641800726 362753246 /nfs/dbraw/zinc/75/32/46/362753246.db2.gz DRYMJTKGJHAKMM-HLTSFMKQSA-N 2 0 234.290 1.126 20 0 BDADRP Cn1cncc1CCC[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641801259 362754854 /nfs/dbraw/zinc/75/48/54/362754854.db2.gz OPFXZRZORBWOAM-VXGBXAGGSA-N 2 0 236.363 1.068 20 0 BDADRP Cc1noc(C)c1C[NH+]1CCC(CC[NH3+])CC1 ZINC000070183610 349967404 /nfs/dbraw/zinc/96/74/04/349967404.db2.gz LHISJIXHBALZHD-UHFFFAOYSA-N 2 0 237.347 1.852 20 0 BDADRP Cc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)c(C)n1 ZINC000641801845 362757925 /nfs/dbraw/zinc/75/79/25/362757925.db2.gz FSQQJXZBUGJZRV-CHWSQXEVSA-N 2 0 233.359 1.914 20 0 BDADRP CC[NH+]1CCC(Cc2nccn2C)CC1 ZINC000105876424 346561661 /nfs/dbraw/zinc/56/16/61/346561661.db2.gz ZBSUHEDLACQRPZ-UHFFFAOYSA-N 2 0 207.321 1.695 20 0 BDADRP C[NH2+]CCCN1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000641809821 362766074 /nfs/dbraw/zinc/76/60/74/362766074.db2.gz SEKJFCIBEFHBRL-WOPDTQHZSA-N 2 0 213.369 1.044 20 0 BDADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](C)COC)C1 ZINC000187387680 346572834 /nfs/dbraw/zinc/57/28/34/346572834.db2.gz OZZAPYVEVAEXSY-ZIAGYGMSSA-N 2 0 242.407 1.933 20 0 BDADRP C[NH2+]C[C@H](C)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000562979790 346668085 /nfs/dbraw/zinc/66/80/85/346668085.db2.gz PKHVRYQIGYWXHS-VIFPVBQESA-N 2 0 233.315 1.084 20 0 BDADRP CSC1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000300897337 346635534 /nfs/dbraw/zinc/63/55/34/346635534.db2.gz VJYCRJZKXBSDRH-LBPRGKRZSA-N 2 0 228.405 1.813 20 0 BDADRP CN(C)c1ccccc1C[NH2+][C@H]1CCCN(C)C1 ZINC000589643246 346720265 /nfs/dbraw/zinc/72/02/65/346720265.db2.gz NNEJAKPMLZWVHS-AWEZNQCLSA-N 2 0 247.386 1.936 20 0 BDADRP CCOC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624121012 346682989 /nfs/dbraw/zinc/68/29/89/346682989.db2.gz LNQHZYYARYMFQB-OLZOCXBDSA-N 2 0 228.380 1.733 20 0 BDADRP CC[C@@H](C)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000037479999 346698211 /nfs/dbraw/zinc/69/82/11/346698211.db2.gz XNVLUHXFMMOLGH-GFCCVEGCSA-N 2 0 227.396 1.401 20 0 BDADRP C[C@H]([NH3+])CCC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000577177291 365859267 /nfs/dbraw/zinc/85/92/67/365859267.db2.gz PQEVSQOKNOJRJP-VIFPVBQESA-N 2 0 233.315 1.356 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCCc2ccccn2)C1 ZINC000577191572 365870878 /nfs/dbraw/zinc/87/08/78/365870878.db2.gz PHRLLIJWKXSROF-GXTWGEPZSA-N 2 0 233.359 1.874 20 0 BDADRP CC[C@@H]1CCCCC[N@@H+]1C[C@H](O)CN(C)CC ZINC000380087976 365870383 /nfs/dbraw/zinc/87/03/83/365870383.db2.gz UETPJJKNFDXQNF-ZIAGYGMSSA-N 2 0 242.407 1.954 20 0 BDADRP COCC1(CC[NH2+][C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000580329007 347168699 /nfs/dbraw/zinc/16/86/99/347168699.db2.gz SZGQEAQKYMYNAI-NEPJUHHUSA-N 2 0 226.364 1.520 20 0 BDADRP [NH3+][C@]12CCC[C@@H]1C[N@H+](CC[C@@H]1CCOC1)C2 ZINC000622004327 370655909 /nfs/dbraw/zinc/65/59/09/370655909.db2.gz NKUHWALLMLFBER-UPJWGTAASA-N 2 0 224.348 1.226 20 0 BDADRP CC[N@@H+]1CCC[C@@H](C[NH2+]CC2(C)COC2)C1 ZINC000309634801 347126085 /nfs/dbraw/zinc/12/60/85/347126085.db2.gz JCHVLJCTPACPKI-LBPRGKRZSA-N 2 0 226.364 1.344 20 0 BDADRP CCCC[C@@H](C)[N@H+](C)C[C@H](O)CN(C)C1CC1 ZINC000310120219 347234541 /nfs/dbraw/zinc/23/45/41/347234541.db2.gz DJZWWAJUVDNHDJ-OCCSQVGLSA-N 2 0 242.407 1.952 20 0 BDADRP CCN(C)C[C@H](O)C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000310460608 347285770 /nfs/dbraw/zinc/28/57/70/347285770.db2.gz ASHDJBKEEVROGI-MELADBBJSA-N 2 0 240.391 1.564 20 0 BDADRP CO[C@@H]([C@H](C)[NH2+][C@H](C)CCC[NH3+])C1CC1 ZINC000388279655 347288841 /nfs/dbraw/zinc/28/88/41/347288841.db2.gz KNUQVEOSEDRFQH-SCVCMEIPSA-N 2 0 214.353 1.517 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000631158551 347289362 /nfs/dbraw/zinc/28/93/62/347289362.db2.gz WMASFQPCJQSBPF-GFCCVEGCSA-N 2 0 249.358 1.609 20 0 BDADRP [NH3+][C@@H]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000250655245 362815883 /nfs/dbraw/zinc/81/58/83/362815883.db2.gz UYCYGECWSULEDD-HUUCEWRRSA-N 2 0 245.370 1.294 20 0 BDADRP Cc1cccc(C[NH2+][C@@H](C)CCCC[NH3+])n1 ZINC000380811384 347335801 /nfs/dbraw/zinc/33/58/01/347335801.db2.gz KAGXIAAVEMDDAO-NSHDSACASA-N 2 0 221.348 1.997 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CC[C@](C)(O)C1 ZINC000191804538 347360330 /nfs/dbraw/zinc/36/03/30/347360330.db2.gz VGCSBSRCDYPMNB-LBPRGKRZSA-N 2 0 214.353 1.175 20 0 BDADRP C[C@H](C[C@@H]1CCCO1)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000577214579 365884147 /nfs/dbraw/zinc/88/41/47/365884147.db2.gz MWKWSTSLWVTUFI-MQYQWHSLSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H]1CC[C@H](C[N@H+](C)CC(C)(C)C[NH3+])O1 ZINC000149780810 347518289 /nfs/dbraw/zinc/51/82/89/347518289.db2.gz RDGPMMVRCIHPAD-WDEREUQCSA-N 2 0 214.353 1.471 20 0 BDADRP Cn1cncc1CC[NH2+][C@H]1COC(C)(C)C1 ZINC000401700733 347604825 /nfs/dbraw/zinc/60/48/25/347604825.db2.gz OKIJDSHOZPTIQV-SNVBAGLBSA-N 2 0 223.320 1.120 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCCCCF ZINC000308458242 347669593 /nfs/dbraw/zinc/66/95/93/347669593.db2.gz FMBDFVUGSULKIB-GHMZBOCLSA-N 2 0 202.317 1.938 20 0 BDADRP COC(=O)C1CCC([NH2+][C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000592438861 347778914 /nfs/dbraw/zinc/77/89/14/347778914.db2.gz QTDMUQFLIOOAAG-QKEWWQLBSA-N 2 0 242.363 1.434 20 0 BDADRP COC(=O)c1ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])[nH]1 ZINC000592438466 347778981 /nfs/dbraw/zinc/77/89/81/347778981.db2.gz MQSXTZJTLOBOJR-IUCAKERBSA-N 2 0 239.319 1.017 20 0 BDADRP COC(=O)C1CCC([NH2+][C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000592438860 347779267 /nfs/dbraw/zinc/77/92/67/347779267.db2.gz QTDMUQFLIOOAAG-JYBOHDQNSA-N 2 0 242.363 1.434 20 0 BDADRP CSCC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592181479 347759515 /nfs/dbraw/zinc/75/95/15/347759515.db2.gz FIAQBENYOGJNAW-UHFFFAOYSA-N 2 0 244.404 1.146 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCOCC1CCC1 ZINC000577382534 365929484 /nfs/dbraw/zinc/92/94/84/365929484.db2.gz WRCIXKOWMOJINE-QWRGUYRKSA-N 2 0 214.353 1.519 20 0 BDADRP COCC1(C[NH2+][C@@H](C)C(C)C)CC[NH2+]CC1 ZINC000319603216 259399492 /nfs/dbraw/zinc/39/94/92/259399492.db2.gz WJRNKDPDCRDILL-LBPRGKRZSA-N 2 0 228.380 1.637 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC2CC[NH2+]CC2)CN1C1CC1 ZINC000577383096 365940341 /nfs/dbraw/zinc/94/03/41/365940341.db2.gz SNNULEPBJWXTPW-AAEUAGOBSA-N 3 0 237.391 1.201 20 0 BDADRP CC[NH2+]CCC[NH2+][C@H](C)CC(=O)N(CC)CC ZINC000577383040 365940715 /nfs/dbraw/zinc/94/07/15/365940715.db2.gz LYGWFBORUYODDL-GFCCVEGCSA-N 2 0 243.395 1.223 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CCOC1 ZINC000253114228 348020505 /nfs/dbraw/zinc/02/05/05/348020505.db2.gz FCWILICEEIRSOR-AAVRWANBSA-N 2 0 240.391 1.766 20 0 BDADRP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CCCC[NH+](C)C ZINC000594917224 348152743 /nfs/dbraw/zinc/15/27/43/348152743.db2.gz ICMMVHMFUFHMLA-SDDRHHMPSA-N 2 0 242.363 1.115 20 0 BDADRP CSCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000594919176 348153893 /nfs/dbraw/zinc/15/38/93/348153893.db2.gz PVGZEDWYMZGRRD-UHFFFAOYSA-N 2 0 248.355 1.720 20 0 BDADRP C[C@@H](CSCCF)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000595025623 348172796 /nfs/dbraw/zinc/17/27/96/348172796.db2.gz HUYSEARBPUAEPU-NSHDSACASA-N 2 0 246.395 1.929 20 0 BDADRP Cc1cccnc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000161854464 179373565 /nfs/dbraw/zinc/37/35/65/179373565.db2.gz TWCMTKUYPFKWMR-ZDUSSCGKSA-N 2 0 233.359 1.951 20 0 BDADRP C[C@H](CCO)CC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000397610204 362896341 /nfs/dbraw/zinc/89/63/41/362896341.db2.gz BTNNGNCRDUSMLR-AVGNSLFASA-N 2 0 228.380 1.467 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](CCc2cn[nH]c2)C[C@@H]1C[NH3+] ZINC000397400544 362884842 /nfs/dbraw/zinc/88/48/42/362884842.db2.gz QVFVXOTWPKCYRB-MDZLAQPJSA-N 2 0 236.363 1.257 20 0 BDADRP C[C@H]1CC[C@H](CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)O1 ZINC000251569693 362887016 /nfs/dbraw/zinc/88/70/16/362887016.db2.gz BQLFTVGIXYPYOE-QNWHQSFQSA-N 2 0 224.348 1.380 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2CCCC[C@H]2CC[NH3+])O1 ZINC000251604753 362889497 /nfs/dbraw/zinc/88/94/97/362889497.db2.gz CUSAWALKDKAXSJ-FRRDWIJNSA-N 2 0 226.364 1.757 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCC[C@@H]2O)CC1(C)C ZINC000623496825 362921443 /nfs/dbraw/zinc/92/14/43/362921443.db2.gz MCLOHXQQQAFCBY-AGIUHOORSA-N 2 0 240.391 1.752 20 0 BDADRP C[C@H]([NH2+]CCN1CC[C@@H](C)C1)[C@@H]1CCCO1 ZINC000053389613 348393434 /nfs/dbraw/zinc/39/34/34/348393434.db2.gz BXGVZZZYBVFDIZ-AGIUHOORSA-N 2 0 226.364 1.485 20 0 BDADRP C([NH2+][C@H]1CCCOC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000070013470 490197383 /nfs/dbraw/zinc/19/73/83/490197383.db2.gz FUMLCSKGSILTDK-NEPJUHHUSA-N 2 0 224.348 1.239 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CCCOC1)C[NH+]1CCCC1 ZINC000070014404 490197460 /nfs/dbraw/zinc/19/74/60/490197460.db2.gz SBQDHMBBGMFBIR-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP C[NH2+][C@@H](C)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000054074232 348889399 /nfs/dbraw/zinc/88/93/99/348889399.db2.gz LRULAIIEUBZSEP-JTQLQIEISA-N 2 0 235.331 1.295 20 0 BDADRP C[C@H](O)CCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623510183 362935424 /nfs/dbraw/zinc/93/54/24/362935424.db2.gz KUISMFKGRPGVLN-RYUDHWBXSA-N 2 0 228.380 1.610 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](CC[C@H]2CCCO2)C1 ZINC000250779834 349179769 /nfs/dbraw/zinc/17/97/69/349179769.db2.gz XJBOOIHAQVDJFM-NWDGAFQWSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1CC=CC1 ZINC000530218277 323217564 /nfs/dbraw/zinc/21/75/64/323217564.db2.gz VUUZNUJTXJUGLP-WCFLWFBJSA-N 2 0 224.348 1.295 20 0 BDADRP C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000530222185 323218667 /nfs/dbraw/zinc/21/86/67/323218667.db2.gz GBXYEKKIZNMRLG-OXPXWGEWSA-N 2 0 240.391 1.905 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422563141 192427619 /nfs/dbraw/zinc/42/76/19/192427619.db2.gz RWSUOFIYYGGQDO-MQYQWHSLSA-N 2 0 241.423 1.665 20 0 BDADRP CC(C)[C@@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000133524098 191040405 /nfs/dbraw/zinc/04/04/05/191040405.db2.gz PTJYATGIGQCPLR-UPJWGTAASA-N 2 0 228.380 1.466 20 0 BDADRP C[C@H](O)[C@H]1CC[N@H+](CCCc2cncn2C)C1 ZINC000315049214 350178439 /nfs/dbraw/zinc/17/84/39/350178439.db2.gz JCVOJFCKSPCCAO-RYUDHWBXSA-N 2 0 237.347 1.055 20 0 BDADRP CC[NH+](CC)CC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000236837154 191061302 /nfs/dbraw/zinc/06/13/02/191061302.db2.gz QOWUENCCJCJPOU-GFCCVEGCSA-N 2 0 243.395 1.160 20 0 BDADRP COCC[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000309585074 490358232 /nfs/dbraw/zinc/35/82/32/490358232.db2.gz RXXBEEVOSSVLQI-RWMBFGLXSA-N 2 0 226.364 1.343 20 0 BDADRP CC[NH2+]CC1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000053659071 490374825 /nfs/dbraw/zinc/37/48/25/490374825.db2.gz WMOQIXDKHFWUAN-CQSZACIVSA-N 2 0 240.391 1.877 20 0 BDADRP Cc1ncc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)s1 ZINC000122328444 180146769 /nfs/dbraw/zinc/14/67/69/180146769.db2.gz CSDMFMUZWMTKSO-WCBMZHEXSA-N 2 0 225.361 1.621 20 0 BDADRP Cc1nccc(N2CC[C@H]3CC[N@@H+](C)C[C@H]32)n1 ZINC000272255988 180194647 /nfs/dbraw/zinc/19/46/47/180194647.db2.gz ZGWRULAEXWESPT-VXGBXAGGSA-N 2 0 232.331 1.315 20 0 BDADRP COCCCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000086403747 490414280 /nfs/dbraw/zinc/41/42/80/490414280.db2.gz NGGREKFTHFPBCG-WDEREUQCSA-N 2 0 200.326 1.273 20 0 BDADRP Cc1nccn1CCC[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000365843314 180242549 /nfs/dbraw/zinc/24/25/49/180242549.db2.gz DZCUYFNMBMGAIG-OKILXGFUSA-N 2 0 248.374 1.075 20 0 BDADRP Cc1nccn1CCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357089945 180242627 /nfs/dbraw/zinc/24/26/27/180242627.db2.gz QDYRXJSOPPUTPU-ZIAGYGMSSA-N 2 0 248.374 1.123 20 0 BDADRP Cc1nccnc1CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000295055193 180273455 /nfs/dbraw/zinc/27/34/55/180273455.db2.gz QQNUBYINOFNIJO-WCQYABFASA-N 2 0 248.374 1.400 20 0 BDADRP Cc1nccnc1CC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000340495208 180275705 /nfs/dbraw/zinc/27/57/05/180275705.db2.gz UYFWGPWUIQKMDD-YPMHNXCESA-N 2 0 248.374 1.257 20 0 BDADRP COc1ccc([C@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000422776081 192462414 /nfs/dbraw/zinc/46/24/14/192462414.db2.gz CDAWUJICTIBYHK-QWRGUYRKSA-N 2 0 234.343 1.954 20 0 BDADRP CC[NH+](CC)CCN(CC[NH3+])Cc1ccccc1 ZINC000038033232 350300101 /nfs/dbraw/zinc/30/01/01/350300101.db2.gz MVUQBUXSBWKFHU-UHFFFAOYSA-N 2 0 249.402 1.789 20 0 BDADRP Cc1ncsc1CCN1CCC[C@@H]([NH3+])C1 ZINC000050285432 180308761 /nfs/dbraw/zinc/30/87/61/180308761.db2.gz SMPNHXGIQCGZFV-SNVBAGLBSA-N 2 0 225.361 1.417 20 0 BDADRP CC[C@@H]1C[C@@H](C[NH2+]C2CC([NH+](C)C)C2)CCO1 ZINC000563976583 323338476 /nfs/dbraw/zinc/33/84/76/323338476.db2.gz RFOODVBIYCMHBH-GFJIZPEISA-N 2 0 240.391 1.874 20 0 BDADRP Cc1nn(C)c(C)c1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000228065404 180337568 /nfs/dbraw/zinc/33/75/68/180337568.db2.gz QQZHHTURQJYNBZ-BXKDBHETSA-N 2 0 236.363 1.206 20 0 BDADRP Cc1nn(C)c(C)c1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000093216526 180340264 /nfs/dbraw/zinc/34/02/64/180340264.db2.gz MLZOHOGGXYBRTJ-VXGBXAGGSA-N 2 0 236.363 1.396 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)[C@H](C)O ZINC000623540338 362958551 /nfs/dbraw/zinc/95/85/51/362958551.db2.gz VPZFCKKVMNPYCW-TUAOUCFPSA-N 2 0 228.380 1.608 20 0 BDADRP C[NH2+]CC1CC[NH+]([C@@H](C)CCOC)CC1 ZINC000063159192 350573111 /nfs/dbraw/zinc/57/31/11/350573111.db2.gz OBRBWDQNSFRQSH-NSHDSACASA-N 2 0 214.353 1.343 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000422743875 192469610 /nfs/dbraw/zinc/46/96/10/192469610.db2.gz SBJKNGHRDXAMTI-SCRDCRAPSA-N 2 0 236.359 1.305 20 0 BDADRP CCCC[C@H](COC)[NH2+]CCC[NH+](C)C ZINC000151938813 191113815 /nfs/dbraw/zinc/11/38/15/191113815.db2.gz JVGFRADSKJHGTJ-GFCCVEGCSA-N 2 0 216.369 1.733 20 0 BDADRP CC[C@@H]1CCC[N@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000563270978 350747011 /nfs/dbraw/zinc/74/70/11/350747011.db2.gz ICHKUDKEISINAV-NEPJUHHUSA-N 2 0 214.353 1.079 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)O1 ZINC000251898936 362981344 /nfs/dbraw/zinc/98/13/44/362981344.db2.gz SJLGAHGNYGNTEG-QCNOEVLYSA-N 2 0 212.337 1.223 20 0 BDADRP COCC1(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623561177 362986296 /nfs/dbraw/zinc/98/62/96/362986296.db2.gz DLYQDVFTPFQZBS-GFCCVEGCSA-N 2 0 240.391 1.875 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@](C)(OC)C2CC2)CC1 ZINC000336680267 350900181 /nfs/dbraw/zinc/90/01/81/350900181.db2.gz DOFXTEFCLDBOOJ-AWEZNQCLSA-N 2 0 240.391 1.875 20 0 BDADRP CC[NH+](CC)C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC000343503427 350973211 /nfs/dbraw/zinc/97/32/11/350973211.db2.gz FQFDIAVGBBKLAP-LBPRGKRZSA-N 2 0 243.395 1.173 20 0 BDADRP CC[NH+]1CCC([NH2+]CCCCF)CC1 ZINC000336702284 351048069 /nfs/dbraw/zinc/04/80/69/351048069.db2.gz YUYIXZSUIKMKKV-UHFFFAOYSA-N 2 0 202.317 1.810 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCCC[C@H]1OC ZINC000422795699 192472725 /nfs/dbraw/zinc/47/27/25/192472725.db2.gz WERYAEGNGOPRDQ-YNEHKIRRSA-N 2 0 244.379 1.288 20 0 BDADRP C[C@H]1C[C@H]([NH3+])CCN1CCC(F)(F)F ZINC000063100439 351140419 /nfs/dbraw/zinc/14/04/19/351140419.db2.gz FHGMCPAUAMWOLK-JGVFFNPUSA-N 2 0 210.243 1.750 20 0 BDADRP CC[NH+]1CCN(Cc2cc(OC)cc(C)n2)CC1 ZINC000270243076 351377068 /nfs/dbraw/zinc/37/70/68/351377068.db2.gz HXBQCBHJMUOHHU-UHFFFAOYSA-N 2 0 249.358 1.536 20 0 BDADRP CC(C)SCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000388681830 363024260 /nfs/dbraw/zinc/02/42/60/363024260.db2.gz HMDLDDIEFBJYHD-GHMZBOCLSA-N 2 0 214.378 1.279 20 0 BDADRP C([NH2+]C1CC[NH2+]CC1)[C@H]1CCCCS1 ZINC000087683983 351347084 /nfs/dbraw/zinc/34/70/84/351347084.db2.gz MZDOBHDHHMJOMA-LLVKDONJSA-N 2 0 214.378 1.614 20 0 BDADRP CC(C)CC[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000637816456 351656138 /nfs/dbraw/zinc/65/61/38/351656138.db2.gz LWPBXQYHLYOOMB-VXGBXAGGSA-N 2 0 241.379 1.090 20 0 BDADRP CC[C@@H](C(=O)N[C@](C)(C[NH3+])CC(C)C)[NH+](C)C ZINC000637852664 351712655 /nfs/dbraw/zinc/71/26/55/351712655.db2.gz WSGATYSACRHUFF-AAEUAGOBSA-N 2 0 243.395 1.206 20 0 BDADRP C[N@H+](CCC[C@@H]1CCO1)C[C@@H]1CCC[NH+](C)C1 ZINC000637930629 351807141 /nfs/dbraw/zinc/80/71/41/351807141.db2.gz QKRGUOSASIKLBA-ZIAGYGMSSA-N 2 0 240.391 1.829 20 0 BDADRP C[N@H+](CCC[C@H]1CCO1)C[C@@H]1CCC[NH+](C)C1 ZINC000637930627 351807230 /nfs/dbraw/zinc/80/72/30/351807230.db2.gz QKRGUOSASIKLBA-KGLIPLIRSA-N 2 0 240.391 1.829 20 0 BDADRP CC(C)C[C@@H]([NH3+])CNCC1([NH3+])CCCCC1 ZINC000414846467 351848641 /nfs/dbraw/zinc/84/86/41/351848641.db2.gz SNEUAGWJHHZDQD-GFCCVEGCSA-N 3 0 227.396 1.611 20 0 BDADRP CC[NH2+][C@@H](C)C(=O)NCCCC[NH+](CC)CC ZINC000638066644 351938589 /nfs/dbraw/zinc/93/85/89/351938589.db2.gz JMOCEFNXICSOGN-LBPRGKRZSA-N 2 0 243.395 1.223 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@H+](CCC[C@H]2CCO2)C1 ZINC000638077939 351951349 /nfs/dbraw/zinc/95/13/49/351951349.db2.gz YORPZGQNJUCWHN-STQMWFEESA-N 2 0 226.364 1.439 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@H](C)CC[NH+](C)C ZINC000638084416 351960701 /nfs/dbraw/zinc/96/07/01/351960701.db2.gz LJBXYHPAWVMSAG-NEPJUHHUSA-N 2 0 243.395 1.206 20 0 BDADRP CC[N@H+](C)C[C@H]1CCN(Cc2ccc(=O)[nH]c2)C1 ZINC000638131962 352001836 /nfs/dbraw/zinc/00/18/36/352001836.db2.gz FFLARHYDPZMPPC-CYBMUJFWSA-N 2 0 249.358 1.561 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)N(C)C1(C[NH3+])CCC1 ZINC000638262547 352105234 /nfs/dbraw/zinc/10/52/34/352105234.db2.gz OEKJHSUUXRNWBR-NSHDSACASA-N 2 0 241.379 1.090 20 0 BDADRP CCN1CCC[C@H]1C[NH2+]CCC[C@H]1CCO1 ZINC000638280387 352116500 /nfs/dbraw/zinc/11/65/00/352116500.db2.gz FCQAYJLLNHYZTG-STQMWFEESA-N 2 0 226.364 1.629 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000638333160 352151667 /nfs/dbraw/zinc/15/16/67/352151667.db2.gz OTMRPIFNXJIMGD-WDEREUQCSA-N 2 0 243.395 1.240 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638363807 352173986 /nfs/dbraw/zinc/17/39/86/352173986.db2.gz YQZBQDUGAKTHEC-VXGBXAGGSA-N 2 0 240.391 1.467 20 0 BDADRP CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H](C)[NH2+]CC ZINC000638439447 352249169 /nfs/dbraw/zinc/24/91/69/352249169.db2.gz STJOHYQBQGBRQE-LLVKDONJSA-N 2 0 243.395 1.221 20 0 BDADRP CCN(CC[NH3+])C(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000638522227 352355768 /nfs/dbraw/zinc/35/57/68/352355768.db2.gz BXRTVWRIVAJLEJ-RYUDHWBXSA-N 2 0 241.379 1.091 20 0 BDADRP CCN(CC[NH3+])C(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000638515636 352344323 /nfs/dbraw/zinc/34/43/23/352344323.db2.gz BRJSPVLALQWPJL-SNVBAGLBSA-N 2 0 235.331 1.127 20 0 BDADRP CC[C@@H](C)C[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000414952026 352371841 /nfs/dbraw/zinc/37/18/41/352371841.db2.gz HSGZPBXBPTTZTN-NEPJUHHUSA-N 2 0 214.353 1.391 20 0 BDADRP CCOC[C@H](C)[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000414971299 352398177 /nfs/dbraw/zinc/39/81/77/352398177.db2.gz IQXWWOJUSNRHGG-LBPRGKRZSA-N 2 0 244.379 1.017 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)[C@@H]1CC1(F)F ZINC000638589098 352420151 /nfs/dbraw/zinc/42/01/51/352420151.db2.gz RDAIAHNSURRVBQ-AXFHLTTASA-N 2 0 232.318 1.962 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH2+]CCC[C@@H]2CCO2)C1 ZINC000638588778 352420235 /nfs/dbraw/zinc/42/02/35/352420235.db2.gz NNDMZKJBMHYNQB-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000638642239 352485565 /nfs/dbraw/zinc/48/55/65/352485565.db2.gz VYZWXFQHYXYENY-UTUOFQBUSA-N 2 0 241.379 1.007 20 0 BDADRP CCCCOCC[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000336743135 352487834 /nfs/dbraw/zinc/48/78/34/352487834.db2.gz XQTZNADFHUDBSW-VXGBXAGGSA-N 2 0 214.353 1.343 20 0 BDADRP C[C@@H]1CC[C@@H](NC(=O)c2ccc(C[NH3+])cc2)C[NH2+]1 ZINC000638656574 352497330 /nfs/dbraw/zinc/49/73/30/352497330.db2.gz TYKCFRQISPNERW-ZWNOBZJWSA-N 2 0 247.342 1.016 20 0 BDADRP CC[C@H](COC)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415013925 352550576 /nfs/dbraw/zinc/55/05/76/352550576.db2.gz VYXMNWPKSMSGEE-FRRDWIJNSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@@H]1CC1(F)F ZINC000638681580 352519161 /nfs/dbraw/zinc/51/91/61/352519161.db2.gz KSCAPXRJJSZAMC-UWVGGRQHSA-N 2 0 248.317 1.076 20 0 BDADRP CC(C)C1(C[NH2+]CC2(O)CC[NH+](C)CC2)CC1 ZINC000638682144 352520527 /nfs/dbraw/zinc/52/05/27/352520527.db2.gz RKRKUAGQVREWCB-UHFFFAOYSA-N 2 0 240.391 1.469 20 0 BDADRP CC[N@H+](CCN[C@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000300369265 352561000 /nfs/dbraw/zinc/56/10/00/352561000.db2.gz WKRKIFXPUPCWMC-RYUDHWBXSA-N 2 0 225.380 1.330 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000300368875 352561116 /nfs/dbraw/zinc/56/11/16/352561116.db2.gz UZZOZJXRNHKHMM-XQQFMLRXSA-N 2 0 227.396 1.576 20 0 BDADRP COC1([C@H](C)[NH2+]CCC[NH+](C)C)CCC1 ZINC000412021276 191237895 /nfs/dbraw/zinc/23/78/95/191237895.db2.gz LUBNZHVBTDRGJI-NSHDSACASA-N 2 0 214.353 1.485 20 0 BDADRP C[C@H]1C[N@H+](C)C[C@@H]1NCCC[NH+]1CCCCC1 ZINC000343034563 352941887 /nfs/dbraw/zinc/94/18/87/352941887.db2.gz NTKPLJQOETZULN-KBPBESRZSA-N 2 0 239.407 1.402 20 0 BDADRP CC(C)(O)CN1CCC([NH2+]C2(C)CCC2)CC1 ZINC000638895462 353056678 /nfs/dbraw/zinc/05/66/78/353056678.db2.gz TURSANRQZFKYDD-UHFFFAOYSA-N 2 0 240.391 1.754 20 0 BDADRP CC(C)[C@H](C[NH2+][C@H](C)CCC[NH3+])N1CCCC1 ZINC000310349926 188001571 /nfs/dbraw/zinc/00/15/71/188001571.db2.gz GVZMQFJWDZTELR-KGLIPLIRSA-N 2 0 241.423 1.824 20 0 BDADRP CCCCC[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000304585939 168696403 /nfs/dbraw/zinc/69/64/03/168696403.db2.gz OVXHUNQVBDBGNR-ZDUSSCGKSA-N 2 0 225.380 1.156 20 0 BDADRP C([NH2+]C[C@H]1CCCOC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000111319960 188006805 /nfs/dbraw/zinc/00/68/05/188006805.db2.gz CUKDYYXYEAOMDQ-QWHCGFSZSA-N 2 0 238.375 1.487 20 0 BDADRP C(C1CC1)[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000334867935 188009211 /nfs/dbraw/zinc/00/92/11/188009211.db2.gz GCUOVKSPYUMVSQ-OLZOCXBDSA-N 2 0 208.349 1.860 20 0 BDADRP C([C@H]1CC[N@@H+](C[C@@H]2CCOC2)C1)[NH+]1CCCC1 ZINC000336722205 188012844 /nfs/dbraw/zinc/01/28/44/188012844.db2.gz ZTTVDCFPLLNWOU-KGLIPLIRSA-N 2 0 238.375 1.441 20 0 BDADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]CCO)cc1 ZINC000268734816 188023341 /nfs/dbraw/zinc/02/33/41/188023341.db2.gz NOFZDISKBLTSQU-NSHDSACASA-N 2 0 245.326 1.824 20 0 BDADRP Cc1nccn1CC[NH2+][C@@H](CCO)c1ccco1 ZINC000274417327 188027796 /nfs/dbraw/zinc/02/77/96/188027796.db2.gz NIYGEIYTDFDOMP-LBPRGKRZSA-N 2 0 249.314 1.498 20 0 BDADRP CC(=O)Nc1ccc(CN2CCC[C@@H]2C[NH3+])cc1 ZINC000131377893 188048408 /nfs/dbraw/zinc/04/84/08/188048408.db2.gz LKQGJZVPIQBVLA-CQSZACIVSA-N 2 0 247.342 1.568 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000331899810 188053248 /nfs/dbraw/zinc/05/32/48/188053248.db2.gz RCRZAZRTDWCGJZ-RWMBFGLXSA-N 2 0 228.380 1.501 20 0 BDADRP COc1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000011891317 188058431 /nfs/dbraw/zinc/05/84/31/188058431.db2.gz KEXJSQLYGNSPTM-GFCCVEGCSA-N 2 0 220.316 1.476 20 0 BDADRP CC(C)[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000335653838 535207824 /nfs/dbraw/zinc/20/78/24/535207824.db2.gz MTFIZQFXRBCFOY-GFCCVEGCSA-N 2 0 233.315 1.212 20 0 BDADRP Cc1ccsc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000085282321 538116054 /nfs/dbraw/zinc/11/60/54/538116054.db2.gz OOTNZOOJYSOJMY-GHMZBOCLSA-N 2 0 222.357 1.708 20 0 BDADRP CC(C)CCC[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000336691431 538117536 /nfs/dbraw/zinc/11/75/36/538117536.db2.gz HATVOYAKXASVDI-CQSZACIVSA-N 2 0 239.407 1.402 20 0 BDADRP CO[C@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000230314933 353486045 /nfs/dbraw/zinc/48/60/45/353486045.db2.gz OTUINOLSYIESRG-ZDUSSCGKSA-N 2 0 226.364 1.487 20 0 BDADRP C[NH+](C)C[C@@H]1CCN(CCOCC2CC2)C1 ZINC000119996508 353690821 /nfs/dbraw/zinc/69/08/21/353690821.db2.gz JUSIIVSPKBVNDH-ZDUSSCGKSA-N 2 0 226.364 1.297 20 0 BDADRP C[C@H]1C[N@H+](CCCn2ccnc2)C[C@H]1C ZINC000343324204 353705428 /nfs/dbraw/zinc/70/54/28/353705428.db2.gz WFARLGIGNBEQPL-TXEJJXNPSA-N 2 0 207.321 1.861 20 0 BDADRP C[C@H]1[N@H+](CCCn2ccnc2)CCOC1(C)C ZINC000343324303 353705441 /nfs/dbraw/zinc/70/54/41/353705441.db2.gz WUBRCMUYZKYOQS-GFCCVEGCSA-N 2 0 237.347 1.773 20 0 BDADRP C[N@H+]1C[C@@H]2C[NH+](CCC[C@@H]3CCO3)C[C@@H]2C1 ZINC000639113708 353707750 /nfs/dbraw/zinc/70/77/50/353707750.db2.gz SHRIOLSZTHUPQZ-FRRDWIJNSA-N 2 0 224.348 1.049 20 0 BDADRP Fc1cccc(F)c1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090320092 181000801 /nfs/dbraw/zinc/00/08/01/181000801.db2.gz PALVLNDHSIOULE-AOOOYVTPSA-N 2 0 238.281 1.616 20 0 BDADRP C[C@@H]1CC[C@H]1[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639165896 354001058 /nfs/dbraw/zinc/00/10/58/354001058.db2.gz ATMULNZQCSFRRG-DGCLKSJQSA-N 2 0 240.391 1.610 20 0 BDADRP CC[C@@](C)(C[N@H+](C)CCC[NH+](C)C)OC ZINC000639167696 354038701 /nfs/dbraw/zinc/03/87/01/354038701.db2.gz JPVZIHWOBDWIBR-LBPRGKRZSA-N 2 0 216.369 1.685 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCOC2)[C@H]2CCC[C@H]21 ZINC000343980370 354058106 /nfs/dbraw/zinc/05/81/06/354058106.db2.gz IXZCQJASWFEMET-YIYPIFLZSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@@H]1C[C@@H](CO)CC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000344137929 354151792 /nfs/dbraw/zinc/15/17/92/354151792.db2.gz KADOROJGTGXWLV-RDBSUJKOSA-N 2 0 240.391 1.564 20 0 BDADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000449687115 202001976 /nfs/dbraw/zinc/00/19/76/202001976.db2.gz OBKINJXCALUZBK-QJPTWQEYSA-N 2 0 241.379 1.008 20 0 BDADRP Cc1ccc(CN2CCC[NH2+]CC2)c(C)n1 ZINC000334588810 354215948 /nfs/dbraw/zinc/21/59/48/354215948.db2.gz YPKTVNWTIWRQQP-UHFFFAOYSA-N 2 0 219.332 1.494 20 0 BDADRP COC1CC([NH2+]C[C@H]2CCN2C2CCCC2)C1 ZINC000529668627 324374437 /nfs/dbraw/zinc/37/44/37/324374437.db2.gz HXUCCQXEPCXGAD-HRDQMINSSA-N 2 0 238.375 1.770 20 0 BDADRP CCN1C[C@H](C)[C@H]([NH2+]C[C@@H]2CCCC[C@H]2O)C1 ZINC000344439121 354273584 /nfs/dbraw/zinc/27/35/84/354273584.db2.gz LAQQRFXBLLFFNY-IGQOVBAYSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000577960583 366145359 /nfs/dbraw/zinc/14/53/59/366145359.db2.gz MHCVXRKLEAIUSW-JHJVBQTASA-N 3 0 225.380 1.188 20 0 BDADRP COC(=O)CCC[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000383608620 354380710 /nfs/dbraw/zinc/38/07/10/354380710.db2.gz SAWIDZSKDQUSFW-AAEUAGOBSA-N 2 0 240.347 1.000 20 0 BDADRP CCC[N@H+](CC)CCN[C@H]1C[NH+](CC)C[C@@H]1C ZINC000344772164 354359694 /nfs/dbraw/zinc/35/96/94/354359694.db2.gz MMWWIBIADFUOHD-KBPBESRZSA-N 2 0 241.423 1.648 20 0 BDADRP Cc1cc(C)c(C[NH2+][C@@H]2CN(C)C[C@H]2C)cn1 ZINC000334739340 354542329 /nfs/dbraw/zinc/54/23/29/354542329.db2.gz SRQHSGDUQYVPJB-BXUZGUMPSA-N 2 0 233.359 1.738 20 0 BDADRP CCC(C)(C)C[NH2+][C@@H](CCC[NH3+])COC ZINC000232977456 363390831 /nfs/dbraw/zinc/39/08/31/363390831.db2.gz KYFZMNKBOAOSKB-NSHDSACASA-N 2 0 216.369 1.766 20 0 BDADRP CCCCOCC[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000232987628 363390908 /nfs/dbraw/zinc/39/09/08/363390908.db2.gz VAAFPPUHHRWUOK-GFCCVEGCSA-N 2 0 214.353 1.474 20 0 BDADRP COCC[C@H](C)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000234666538 363426599 /nfs/dbraw/zinc/42/65/99/363426599.db2.gz DOIOEUIEBAHAKO-QWRGUYRKSA-N 2 0 200.326 1.082 20 0 BDADRP COCCCC[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000234705924 363427789 /nfs/dbraw/zinc/42/77/89/363427789.db2.gz GZKRPEKVACQBNZ-NSHDSACASA-N 2 0 200.326 1.084 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CSC1(C)C)C1C[NH2+]C1 ZINC000335167217 354926573 /nfs/dbraw/zinc/92/65/73/354926573.db2.gz DPMMXGJLAZHTGZ-VXNVDRBHSA-N 2 0 200.351 1.078 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CCCOC1 ZINC000530209517 324526032 /nfs/dbraw/zinc/52/60/32/324526032.db2.gz IKLMGCJMQRDXLA-AVGNSLFASA-N 2 0 226.364 1.520 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C2CCC(C[NH3+])CC2)CCN1C ZINC000335218940 355058001 /nfs/dbraw/zinc/05/80/01/355058001.db2.gz RLWNHFLSUAENOE-ABXWRUBCSA-N 3 0 239.407 1.576 20 0 BDADRP CC/C=C\C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639227344 355068697 /nfs/dbraw/zinc/06/86/97/355068697.db2.gz LKDCYULFKKNSQS-WAYWQWQTSA-N 2 0 240.391 1.778 20 0 BDADRP COCCCCC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113511985 355248091 /nfs/dbraw/zinc/24/80/91/355248091.db2.gz UREUXIHCVBVCHJ-CYBMUJFWSA-N 2 0 228.380 1.687 20 0 BDADRP COCCCC[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000412970948 191345594 /nfs/dbraw/zinc/34/55/94/191345594.db2.gz IXNZVBNDSNTULI-ZDUSSCGKSA-N 2 0 228.380 1.829 20 0 BDADRP Cc1cnc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cn1 ZINC000639245359 355266751 /nfs/dbraw/zinc/26/67/51/355266751.db2.gz WTHXWBHLALNPRC-QWHCGFSZSA-N 2 0 248.374 1.400 20 0 BDADRP CC[NH+](CC)CCCN[C@H]1C[N@H+](CC)C[C@@H]1C ZINC000347664105 355255080 /nfs/dbraw/zinc/25/50/80/355255080.db2.gz OUUBWNIOEFUOPT-KBPBESRZSA-N 2 0 241.423 1.648 20 0 BDADRP c1[nH+]cn2cc(C[NH2+]CCC[C@@H]3CCO3)ccc12 ZINC000639257649 355303572 /nfs/dbraw/zinc/30/35/72/355303572.db2.gz XHSUFVLNCIWHFN-CQSZACIVSA-N 2 0 245.326 1.993 20 0 BDADRP COC[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)C(C)C ZINC000414196826 191458969 /nfs/dbraw/zinc/45/89/69/191458969.db2.gz WDYXFFHACJEEEC-ZIAGYGMSSA-N 2 0 242.407 1.979 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)[C@@H]1CCCOC1 ZINC000388948795 355377513 /nfs/dbraw/zinc/37/75/13/355377513.db2.gz HNGUIRWXIHAZOW-TUAOUCFPSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)[C@@H]1CCCOC1 ZINC000388948792 355377521 /nfs/dbraw/zinc/37/75/21/355377521.db2.gz HNGUIRWXIHAZOW-QJPTWQEYSA-N 2 0 212.337 1.143 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CCC([NH2+]C(C)C)CC1 ZINC000414705053 191553328 /nfs/dbraw/zinc/55/33/28/191553328.db2.gz ZZRWMRMSCDHWFB-ZDUSSCGKSA-N 2 0 241.423 1.822 20 0 BDADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCO[C@H]1C ZINC000349725947 355420392 /nfs/dbraw/zinc/42/03/92/355420392.db2.gz YZVBMBUYHXMBJC-STQMWFEESA-N 2 0 244.379 1.112 20 0 BDADRP NC(=[NH2+])NCc1ccccc1C[NH+]1CCCC1 ZINC000057887367 181191730 /nfs/dbraw/zinc/19/17/30/181191730.db2.gz FWALITONDIRKOS-UHFFFAOYSA-N 2 0 232.331 1.265 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2cccc3c2NCC3)CC1 ZINC000335801700 355470961 /nfs/dbraw/zinc/47/09/61/355470961.db2.gz MZVZLVPKFRSPHG-UHFFFAOYSA-N 2 0 245.370 1.825 20 0 BDADRP CCOC[C@@H](C)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414834312 191593819 /nfs/dbraw/zinc/59/38/19/191593819.db2.gz HIBDRDPJCLFFMF-NEPJUHHUSA-N 2 0 214.353 1.391 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCN2CC[NH2+]CC2)C[C@@H](C)C1 ZINC000414859993 191603786 /nfs/dbraw/zinc/60/37/86/191603786.db2.gz BWKJCDSPMPAMFR-WDNDVIMCSA-N 2 0 239.407 1.306 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN(C)[C@H]1CCC[NH2+]CC1 ZINC000414747626 191560571 /nfs/dbraw/zinc/56/05/71/191560571.db2.gz HIKHOTHFALIFQW-OLZOCXBDSA-N 2 0 227.396 1.434 20 0 BDADRP Cc1c(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)cnn1C ZINC000415009073 191648554 /nfs/dbraw/zinc/64/85/54/191648554.db2.gz TVPOQUCPFDBPOE-DGCLKSJQSA-N 2 0 236.363 1.336 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)CC1CCOCC1 ZINC000415016296 191651078 /nfs/dbraw/zinc/65/10/78/191651078.db2.gz CHHXNZGHZRNCSN-NEPJUHHUSA-N 2 0 228.380 1.909 20 0 BDADRP CC[C@H](COC)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414906866 191621927 /nfs/dbraw/zinc/62/19/27/191621927.db2.gz PREKKILMPSIYLJ-GHMZBOCLSA-N 2 0 200.326 1.143 20 0 BDADRP [NH3+]Cc1ccc(NCC2(C[NH3+])CC2)cc1 ZINC000414911338 191622683 /nfs/dbraw/zinc/62/26/83/191622683.db2.gz IIOXTNVVKFRGSA-UHFFFAOYSA-N 2 0 205.305 1.296 20 0 BDADRP COCC1(C[NH2+][C@H]2CCC[C@H]2C)CC[NH2+]CC1 ZINC000414976637 191639422 /nfs/dbraw/zinc/63/94/22/191639422.db2.gz PNMPCCGAMVWOGP-OLZOCXBDSA-N 2 0 240.391 1.781 20 0 BDADRP COCCC[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000415102832 191681764 /nfs/dbraw/zinc/68/17/64/191681764.db2.gz JZCMLZCZSJCCQX-MNOVXSKESA-N 2 0 200.326 1.001 20 0 BDADRP C[C@@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000415136229 191685051 /nfs/dbraw/zinc/68/50/51/191685051.db2.gz CLBDUKNCVVPAEB-QNWHQSFQSA-N 2 0 225.380 1.247 20 0 BDADRP Cc1ccccc1OCC[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC000415077771 191672275 /nfs/dbraw/zinc/67/22/75/191672275.db2.gz FJYAUCUJOJODNU-HNNXBMFYSA-N 2 0 248.370 1.963 20 0 BDADRP CO[C@H](C[N@H+](C)CC1CN(C)C1)C1CCCC1 ZINC000639310615 355663996 /nfs/dbraw/zinc/66/39/96/355663996.db2.gz UOISGVBVNGWEBD-CQSZACIVSA-N 2 0 240.391 1.685 20 0 BDADRP C[NH2+]Cc1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000350725638 355750385 /nfs/dbraw/zinc/75/03/85/355750385.db2.gz ZNUCLNGNCTVQLO-UHFFFAOYSA-N 2 0 246.314 1.518 20 0 BDADRP Nc1ncc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])s1 ZINC000352540741 181209366 /nfs/dbraw/zinc/20/93/66/181209366.db2.gz OVZDBMOGGBTDKH-SECBINFHSA-N 2 0 240.376 1.259 20 0 BDADRP C[C@H]([NH2+][C@H]1CCCNC1)[C@H]1CCCOC1 ZINC000389142723 355730266 /nfs/dbraw/zinc/73/02/66/355730266.db2.gz YQSFNXBNEBBDNR-SRVKXCTJSA-N 2 0 212.337 1.143 20 0 BDADRP COc1ccccc1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000216026854 355798039 /nfs/dbraw/zinc/79/80/39/355798039.db2.gz ICLRNIILWSLOKQ-NWDGAFQWSA-N 2 0 234.343 1.864 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCN(C)c2ccccc2)C1 ZINC000351863478 356100181 /nfs/dbraw/zinc/10/01/81/356100181.db2.gz UBWTYRIOBSURGO-UONOGXRCSA-N 2 0 247.386 1.792 20 0 BDADRP C[C@@H]1C[N@H+](C)CCN1CC[NH+]1CCCCC1 ZINC000335917018 356160107 /nfs/dbraw/zinc/16/01/07/356160107.db2.gz DQBZQKHQDHWGTL-CYBMUJFWSA-N 2 0 225.380 1.108 20 0 BDADRP [NH3+]C1(C(=O)NCC2([NH3+])CCCCC2)CCCC1 ZINC000336092020 134078866 /nfs/dbraw/zinc/07/88/66/134078866.db2.gz DIJGIUATHREJMS-UHFFFAOYSA-N 2 0 239.363 1.036 20 0 BDADRP [NH3+]CC1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420269590 192194956 /nfs/dbraw/zinc/19/49/56/192194956.db2.gz IIQUWTGNXWTWTR-ZDUSSCGKSA-N 3 0 225.380 1.047 20 0 BDADRP C[C@@H]1C[NH+](CC[C@@H]2CCC[NH2+]C2)C[C@@H](C)N1 ZINC000420291406 192203772 /nfs/dbraw/zinc/20/37/72/192203772.db2.gz KKZZKZYJTKNWOP-UPJWGTAASA-N 2 0 225.380 1.058 20 0 BDADRP CC[NH+](CC)CCCN1CCCC[C@@H]1C[NH3+] ZINC000420295036 192204023 /nfs/dbraw/zinc/20/40/23/192204023.db2.gz OYCJCRGSQGDOJL-CYBMUJFWSA-N 2 0 227.396 1.532 20 0 BDADRP CC[N@H+](CCCO)CC[C@H]1CCC[NH2+]C1 ZINC000420299228 192205239 /nfs/dbraw/zinc/20/52/39/192205239.db2.gz IKUDYMOLJFLQLM-GFCCVEGCSA-N 2 0 214.353 1.080 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000639488501 356305168 /nfs/dbraw/zinc/30/51/68/356305168.db2.gz IRYRKECHTPVNMX-XQQFMLRXSA-N 2 0 226.364 1.295 20 0 BDADRP CC[NH+](CC)CCCN1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000420281077 192198893 /nfs/dbraw/zinc/19/88/93/192198893.db2.gz ZHUZLBOZOBZWSM-ZIAGYGMSSA-N 2 0 241.423 1.920 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420284903 192200568 /nfs/dbraw/zinc/20/05/68/192200568.db2.gz DBQHRHWNAQKCHL-STQMWFEESA-N 3 0 239.407 1.435 20 0 BDADRP COc1cccc(OCCN(C)[C@@H](C)C[NH3+])c1 ZINC000420290981 192201429 /nfs/dbraw/zinc/20/14/29/192201429.db2.gz MUKZIPKWHHYSJQ-NSHDSACASA-N 2 0 238.331 1.353 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000420289598 192201584 /nfs/dbraw/zinc/20/15/84/192201584.db2.gz KHDBFZVVMQEOIE-STQMWFEESA-N 2 0 227.396 1.387 20 0 BDADRP CC[NH+](CC)CCCN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000420289666 192202251 /nfs/dbraw/zinc/20/22/51/192202251.db2.gz KPWIEKHIXHZSIF-KGLIPLIRSA-N 3 0 241.423 1.778 20 0 BDADRP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(C)n1 ZINC000420300252 192207261 /nfs/dbraw/zinc/20/72/61/192207261.db2.gz CFCJNBKKKVLZAI-KKUMJFAQSA-N 2 0 245.370 1.868 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420295646 192202942 /nfs/dbraw/zinc/20/29/42/192202942.db2.gz VVRVTZAUYHREIJ-MJBXVCDLSA-N 3 0 239.407 1.435 20 0 BDADRP CC[NH+](CC)CCCN[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420357848 192218904 /nfs/dbraw/zinc/21/89/04/192218904.db2.gz DUHVZINIVAMFSW-MELADBBJSA-N 2 0 241.423 1.694 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000420338980 192215933 /nfs/dbraw/zinc/21/59/33/192215933.db2.gz LEQBFNSZCGSFCM-OLZOCXBDSA-N 2 0 225.380 1.012 20 0 BDADRP CC(C)OCC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420340608 192216319 /nfs/dbraw/zinc/21/63/19/192216319.db2.gz MVURAPPUBVWRMQ-ZIAGYGMSSA-N 2 0 240.391 1.733 20 0 BDADRP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(C)n1 ZINC000420300256 192208035 /nfs/dbraw/zinc/20/80/35/192208035.db2.gz CFCJNBKKKVLZAI-RRFJBIMHSA-N 2 0 245.370 1.868 20 0 BDADRP CC[NH+](CC)CCCN1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000420304106 192208190 /nfs/dbraw/zinc/20/81/90/192208190.db2.gz XYJCCSJALGEGJW-STQMWFEESA-N 2 0 227.396 1.401 20 0 BDADRP CCOC(=O)[C@H](C)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000420307015 192209098 /nfs/dbraw/zinc/20/90/98/192209098.db2.gz LPRRYAAFLZCDOO-NSHDSACASA-N 2 0 240.347 1.014 20 0 BDADRP CCOC(=O)CCCC[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000420306998 192209269 /nfs/dbraw/zinc/20/92/69/192209269.db2.gz LOQWOKNKEHXERE-NWDGAFQWSA-N 2 0 242.363 1.389 20 0 BDADRP CC(C)(C)C[N@H+](CCCO)CC[C@H]1CC[NH2+]C1 ZINC000420306620 192209544 /nfs/dbraw/zinc/20/95/44/192209544.db2.gz QOMVPFHKHXTKKN-CYBMUJFWSA-N 2 0 242.407 1.717 20 0 BDADRP COC(=O)CC[N@H+](CCC[NH3+])CC1CCCC1 ZINC000420308740 192210977 /nfs/dbraw/zinc/21/09/77/192210977.db2.gz DCEDBGJRVCZQJM-UHFFFAOYSA-N 2 0 242.363 1.391 20 0 BDADRP CCN1C[C@H](C)[N@H+](CC[C@H]2CC[NH2+]C2)C[C@H]1C ZINC000420366399 192226013 /nfs/dbraw/zinc/22/60/13/192226013.db2.gz ULPIZEQUXZINPV-HZSPNIEDSA-N 2 0 239.407 1.401 20 0 BDADRP COC(=O)[C@@H](C)C[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420371105 192227271 /nfs/dbraw/zinc/22/72/71/192227271.db2.gz ZMJZBMRIZOIJJV-NWDGAFQWSA-N 2 0 242.363 1.117 20 0 BDADRP C(C[N@@H+]1CCOC[C@H]1C1CC1)[C@@H]1CC[NH2+]C1 ZINC000420370266 192227663 /nfs/dbraw/zinc/22/76/63/192227663.db2.gz YVVOSYSSFMQHAY-AAEUAGOBSA-N 2 0 224.348 1.097 20 0 BDADRP C[C@@H]1CCN[C@H](C)[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000420372230 192228957 /nfs/dbraw/zinc/22/89/57/192228957.db2.gz QBPRNGVKBLSEFY-AAVRWANBSA-N 2 0 239.407 1.352 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@H](C)C[C@H]1C[NH3+] ZINC000420325281 192230262 /nfs/dbraw/zinc/23/02/62/192230262.db2.gz BKOBPQXVRQBLSA-KBPBESRZSA-N 2 0 241.423 1.778 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCCc1ccncc1 ZINC000420357290 192219408 /nfs/dbraw/zinc/21/94/08/192219408.db2.gz HCPNFXJHEXKLPG-AWEZNQCLSA-N 2 0 247.386 1.992 20 0 BDADRP CCC[C@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000420355725 192220349 /nfs/dbraw/zinc/22/03/49/192220349.db2.gz FQQUDZPKYAMPKE-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP CC[NH+](CC)CCCN[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420357850 192220855 /nfs/dbraw/zinc/22/08/55/192220855.db2.gz DUHVZINIVAMFSW-MGPQQGTHSA-N 2 0 241.423 1.694 20 0 BDADRP NC[C@@H]([NH2+]C[C@H]1CCOC1)C1CCCCC1 ZINC000420364322 192224221 /nfs/dbraw/zinc/22/42/21/192224221.db2.gz KHCFUTUCMSYLRH-DGCLKSJQSA-N 2 0 226.364 1.520 20 0 BDADRP COC(=O)[C@H]1CCCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420364954 192224425 /nfs/dbraw/zinc/22/44/25/192224425.db2.gz RONFDQMDERJCCA-VXGBXAGGSA-N 2 0 240.347 1.014 20 0 BDADRP COCC[C@H]1CCCC[N@H+](C[C@@H](C)N)C1 ZINC000420368230 192225634 /nfs/dbraw/zinc/22/56/34/192225634.db2.gz HSUGVELHUIAPBK-VXGBXAGGSA-N 2 0 214.353 1.472 20 0 BDADRP C[C@H]([NH3+])CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000420383709 192234521 /nfs/dbraw/zinc/23/45/21/192234521.db2.gz ZWBWSHZWZBUKBO-SGMGOOAPSA-N 2 0 237.391 1.282 20 0 BDADRP C[NH2+]CCC[N@H+](C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000420381530 192235522 /nfs/dbraw/zinc/23/55/22/192235522.db2.gz XOFOWPBQRCQZKE-WFASDCNBSA-N 2 0 248.370 1.920 20 0 BDADRP CC1(C)CCC[C@H]1[NH2+]CCOCC[NH3+] ZINC000420395168 192236152 /nfs/dbraw/zinc/23/61/52/192236152.db2.gz CYAHBUPORWDFNZ-SNVBAGLBSA-N 2 0 200.326 1.130 20 0 BDADRP C[C@@H]([NH2+]CCOCC[NH3+])c1cccc(F)c1F ZINC000420393477 192237037 /nfs/dbraw/zinc/23/70/37/192237037.db2.gz CDXMWVCATPGNEK-SECBINFHSA-N 2 0 244.285 1.591 20 0 BDADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)[C@H]1CCCOC1 ZINC000420402317 192238159 /nfs/dbraw/zinc/23/81/59/192238159.db2.gz KAPAMNJMUHCASA-OCCSQVGLSA-N 2 0 240.391 1.781 20 0 BDADRP Cc1cccc([C@H](C)[NH2+]CCOCC[NH3+])c1C ZINC000420402701 192238664 /nfs/dbraw/zinc/23/86/64/192238664.db2.gz KGSPULNVMRMJTH-ZDUSSCGKSA-N 2 0 236.359 1.929 20 0 BDADRP COCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420407805 192239120 /nfs/dbraw/zinc/23/91/20/192239120.db2.gz VMBOFTCCXKINIX-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP FCCC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420409948 192239919 /nfs/dbraw/zinc/23/99/19/192239919.db2.gz XRTGPZVEICGTFY-NWDGAFQWSA-N 2 0 214.328 1.810 20 0 BDADRP [NH3+]CCC[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000420416814 192240304 /nfs/dbraw/zinc/24/03/04/192240304.db2.gz VXOFAYZGIGQBRG-ZIAGYGMSSA-N 2 0 234.343 1.703 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000420413212 192240592 /nfs/dbraw/zinc/24/05/92/192240592.db2.gz SUWUCASPQRCLGQ-MGPQQGTHSA-N 2 0 239.407 1.293 20 0 BDADRP C[C@@H]1CC[N@H+](CCCc2ccncc2)C[C@H]1C[NH3+] ZINC000420421841 192242027 /nfs/dbraw/zinc/24/20/27/192242027.db2.gz YVMMEHNWAAZXJB-UKRRQHHQSA-N 2 0 247.386 1.931 20 0 BDADRP c1c[nH]c([C@@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)n1 ZINC000420378405 192233826 /nfs/dbraw/zinc/23/38/26/192233826.db2.gz UBWANCZCPXKLTB-STQMWFEESA-N 2 0 248.374 1.936 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414919681 491092285 /nfs/dbraw/zinc/09/22/85/491092285.db2.gz VPWKJCBPRMMNBW-NDBYEHHHSA-N 2 0 225.380 1.377 20 0 BDADRP C[N@H+](CCC[NH+]1CCCC1)C[C@H]1C[C@@H](O)C1 ZINC000420967940 192285199 /nfs/dbraw/zinc/28/51/99/192285199.db2.gz UZIKUASOSOPVEM-BETUJISGSA-N 2 0 226.364 1.175 20 0 BDADRP [NH3+]CCC[NH+]1CCC(C2CCOCC2)CC1 ZINC000578119869 366277851 /nfs/dbraw/zinc/27/78/51/366277851.db2.gz JETYVGCFURGDES-UHFFFAOYSA-N 2 0 226.364 1.474 20 0 BDADRP CC[C@H](COC)[NH2+]CCN1CCCC1(C)C ZINC000449782848 202035482 /nfs/dbraw/zinc/03/54/82/202035482.db2.gz MEUFWGHJQHGELD-GFCCVEGCSA-N 2 0 228.380 1.875 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1CCO[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422998012 192522153 /nfs/dbraw/zinc/52/21/53/192522153.db2.gz VYIDRRVIRZWOHF-RFGFWPKPSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H](COCC(F)(F)F)[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422949172 192523912 /nfs/dbraw/zinc/52/39/12/192523912.db2.gz UHDZPAXZOYOTBY-DJLDLDEBSA-N 2 0 242.285 1.669 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H](CO)c1ccccc1 ZINC000423007343 192536083 /nfs/dbraw/zinc/53/60/83/192536083.db2.gz QKEGYXHMKDETCC-GXTWGEPZSA-N 2 0 236.359 1.480 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CC1(CO)CCC1 ZINC000423037174 192547524 /nfs/dbraw/zinc/54/75/24/192547524.db2.gz VPFJPUBUVPFESV-LLVKDONJSA-N 2 0 214.353 1.256 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@]1(C)CCO[C@@H]1C1CC1 ZINC000423050873 192551202 /nfs/dbraw/zinc/55/12/02/192551202.db2.gz MYBXUUBPNZTHJE-BNOWGMLFSA-N 2 0 240.391 1.909 20 0 BDADRP CC[C@H]([NH2+][C@H](C)C[C@H](C)O)[C@@H]1CCC[NH2+]1 ZINC000423037517 192548631 /nfs/dbraw/zinc/54/86/31/192548631.db2.gz WDVPKKQCRSXAGJ-RHYQMDGZSA-N 2 0 214.353 1.266 20 0 BDADRP CC(C)OCC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423041132 192549617 /nfs/dbraw/zinc/54/96/17/192549617.db2.gz WDZZBMRSYUMCPZ-NWDGAFQWSA-N 2 0 214.353 1.389 20 0 BDADRP C[C@H](CO)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000120640630 491099900 /nfs/dbraw/zinc/09/99/00/491099900.db2.gz UDJWRWZQWVVYKH-ZDUSSCGKSA-N 2 0 240.391 1.423 20 0 BDADRP C[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000423101411 192569452 /nfs/dbraw/zinc/56/94/52/192569452.db2.gz CWINPDHIWIHZCO-LPWJVIDDSA-N 2 0 226.364 1.376 20 0 BDADRP CC(C)[C@@H](CO)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000423113940 192572560 /nfs/dbraw/zinc/57/25/60/192572560.db2.gz UZYBWXLLOGEPAH-OTTFEQOBSA-N 2 0 228.380 1.358 20 0 BDADRP CCc1cc(NC[C@@H](C2CC2)[NH+](C)C)cc[nH+]1 ZINC000450311066 202126320 /nfs/dbraw/zinc/12/63/20/202126320.db2.gz GNONKFCMTSGZBZ-AWEZNQCLSA-N 2 0 233.359 1.818 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC1CC(F)(F)C1 ZINC000423131538 192579392 /nfs/dbraw/zinc/57/93/92/192579392.db2.gz OCFUBGUKKXZKIS-JGVFFNPUSA-N 2 0 206.280 1.747 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](CO)C1CCCC1 ZINC000423144278 192586187 /nfs/dbraw/zinc/58/61/87/192586187.db2.gz YONFHGBUSGLXOT-UMNHJUIQSA-N 2 0 214.353 1.253 20 0 BDADRP CCc1cc(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)cc[nH+]1 ZINC000450391277 202152417 /nfs/dbraw/zinc/15/24/17/202152417.db2.gz QTFJYCPHRYVKFM-ZIAGYGMSSA-N 2 0 247.342 1.163 20 0 BDADRP c1cn(CCC[N@@H+]2CCC[C@@H]2c2cn[nH]c2)cn1 ZINC000639779252 356726364 /nfs/dbraw/zinc/72/63/64/356726364.db2.gz ZJPQLUWBYUZIIO-CYBMUJFWSA-N 2 0 245.330 1.833 20 0 BDADRP C[NH+]1CCC(N[C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623342057 356742885 /nfs/dbraw/zinc/74/28/85/356742885.db2.gz DGFZZEYNDZXNIW-CYBMUJFWSA-N 2 0 239.407 1.543 20 0 BDADRP CCC[C@H](O)C[N@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000450466512 202176063 /nfs/dbraw/zinc/17/60/63/202176063.db2.gz JACQOPFKICKVFS-AVGNSLFASA-N 2 0 228.380 1.562 20 0 BDADRP CCC[C@H](O)C[N@@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000450462517 202171324 /nfs/dbraw/zinc/17/13/24/202171324.db2.gz HAVIEJWDPDRLDE-KGLIPLIRSA-N 2 0 242.407 1.811 20 0 BDADRP CC(C)(CO)CC[NH2+]C1CCC(C[NH3+])CC1 ZINC000423161238 192599899 /nfs/dbraw/zinc/59/98/99/192599899.db2.gz RTGSFOVVQCGLOM-UHFFFAOYSA-N 2 0 228.380 1.502 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CCN2CC[C@@H](O)C2)C[C@H]1C ZINC000623758470 356814740 /nfs/dbraw/zinc/81/47/40/356814740.db2.gz CCBUKXWLQYAYHH-AAVRWANBSA-N 2 0 240.391 1.467 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000423168023 192604003 /nfs/dbraw/zinc/60/40/03/192604003.db2.gz UAOCALSSBCPSST-BPNZPQAUSA-N 2 0 226.364 1.661 20 0 BDADRP CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)CCCC[NH3+] ZINC000423172240 192606935 /nfs/dbraw/zinc/60/69/35/192606935.db2.gz RXMRFAOIAMRXIS-TUAOUCFPSA-N 2 0 214.353 1.661 20 0 BDADRP CCC(O)(CC)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623384635 356910201 /nfs/dbraw/zinc/91/02/01/356910201.db2.gz AQXLMMJFHSADQB-GFCCVEGCSA-N 2 0 242.407 2.000 20 0 BDADRP CC(C)C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000363220885 356953630 /nfs/dbraw/zinc/95/36/30/356953630.db2.gz JFPPAGFLTIHNEZ-AWEZNQCLSA-N 2 0 239.407 1.354 20 0 BDADRP CSC[C@](C)(O)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000223779193 357059069 /nfs/dbraw/zinc/05/90/69/357059069.db2.gz VUIWIJJROVPWOP-SDDRHHMPSA-N 2 0 246.420 1.173 20 0 BDADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000392236355 357143607 /nfs/dbraw/zinc/14/36/07/357143607.db2.gz WLMNAMHXKIILNU-OLZOCXBDSA-N 3 0 223.364 1.108 20 0 BDADRP CC[C@@H](O)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374179903 357156538 /nfs/dbraw/zinc/15/65/38/357156538.db2.gz WXVQZLYBIHNSEN-CYBMUJFWSA-N 2 0 240.391 1.565 20 0 BDADRP CC[C@@H](NC[C@H]([NH3+])C(C)C)[C@@H]1CCC[NH2+]1 ZINC000423268103 192661893 /nfs/dbraw/zinc/66/18/93/192661893.db2.gz FZBJFIUGTFWQED-TUAOUCFPSA-N 2 0 213.369 1.090 20 0 BDADRP C[C@@H]1C[N@@H+](C2CCSCC2)C[C@H]1[NH3+] ZINC000300048678 357175996 /nfs/dbraw/zinc/17/59/96/357175996.db2.gz LQBKOHAIGIWYFC-PSASIEDQSA-N 2 0 200.351 1.161 20 0 BDADRP C[C@H](O)CC(C)(C)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000393690309 357293552 /nfs/dbraw/zinc/29/35/52/357293552.db2.gz DZZCQHHAOHEQOC-SRVKXCTJSA-N 2 0 228.380 1.643 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2CCCC[C@H]2O)C[C@H]1C[NH3+] ZINC000393358738 357307556 /nfs/dbraw/zinc/30/75/56/357307556.db2.gz RNTPFJANOVWFOQ-XJFOESAGSA-N 2 0 240.391 1.454 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@H]1CCCC[C@@H]1O ZINC000393244028 357279612 /nfs/dbraw/zinc/27/96/12/357279612.db2.gz NJBCPXSWQWYFON-LPWJVIDDSA-N 2 0 226.364 1.349 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc2cnn(C)c2c1 ZINC000582481402 357316973 /nfs/dbraw/zinc/31/69/73/357316973.db2.gz AOBCXKCXBRJZPX-GHMZBOCLSA-N 2 0 246.358 1.789 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1c[nH]nc1C(C)(C)C ZINC000582546345 357331933 /nfs/dbraw/zinc/33/19/33/357331933.db2.gz OEMVQHHIPBVKDS-ZJUUUORDSA-N 2 0 238.379 1.923 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000582540555 357338773 /nfs/dbraw/zinc/33/87/73/357338773.db2.gz ZBALEWDJJIYHJR-HZSPNIEDSA-N 2 0 239.407 1.306 20 0 BDADRP CC[C@H]([NH2+]CC1CC[NH2+]CC1)c1cnn(C)c1 ZINC000582600338 357347437 /nfs/dbraw/zinc/34/74/37/357347437.db2.gz UAAFGMDAHSGGOU-ZDUSSCGKSA-N 2 0 236.363 1.460 20 0 BDADRP CC(C)([NH3+])CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423288539 192681117 /nfs/dbraw/zinc/68/11/17/192681117.db2.gz SQRLUKNGWLDSTP-JHJVBQTASA-N 2 0 239.407 1.624 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000423291640 192681739 /nfs/dbraw/zinc/68/17/39/192681739.db2.gz JERALCMCHDZGTP-SDDRHHMPSA-N 3 0 235.375 1.922 20 0 BDADRP C[NH2+]Cc1ccccc1NC(=O)CCCC[NH3+] ZINC000582665986 357358753 /nfs/dbraw/zinc/35/87/53/357358753.db2.gz FPTKKZZQVBRYMY-UHFFFAOYSA-N 2 0 235.331 1.474 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423299930 192689752 /nfs/dbraw/zinc/68/97/52/192689752.db2.gz QNUKOQQPPMUKEG-YNEHKIRRSA-N 2 0 227.396 1.624 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCOC2)CC1(C)C ZINC000623408245 357404602 /nfs/dbraw/zinc/40/46/02/357404602.db2.gz OGXRKNXGAWXMSC-RYUDHWBXSA-N 2 0 226.364 1.628 20 0 BDADRP CC[NH2+]CCCNC1CC[NH+](C2CC2)CC1 ZINC000583138334 357499407 /nfs/dbraw/zinc/49/94/07/357499407.db2.gz YNJFILIASUHDRQ-UHFFFAOYSA-N 3 0 225.380 1.202 20 0 BDADRP COC[C@H](C)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397313909 357511951 /nfs/dbraw/zinc/51/19/51/357511951.db2.gz PXOQJIWPRWXAPD-LPWJVIDDSA-N 2 0 228.380 1.574 20 0 BDADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)N(CC)CCC[NH+](C)C ZINC000230710431 357572555 /nfs/dbraw/zinc/57/25/55/357572555.db2.gz XYVVRGHMYHXDJC-VXGBXAGGSA-N 2 0 243.395 1.160 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)N(CC)CCC[NH+](C)C ZINC000230710855 357572760 /nfs/dbraw/zinc/57/27/60/357572760.db2.gz ACWGOHRNKGFZTI-CYBMUJFWSA-N 2 0 243.395 1.304 20 0 BDADRP CCN(CCC[NH+](CC)CC)C(=O)C[C@H](C)[NH3+] ZINC000230713006 357573699 /nfs/dbraw/zinc/57/36/99/357573699.db2.gz JBFGVTZZVFPNAL-LBPRGKRZSA-N 2 0 243.395 1.304 20 0 BDADRP COC1CC([NH2+]C2CC[NH+](CC(C)C)CC2)C1 ZINC000230676271 357549308 /nfs/dbraw/zinc/54/93/08/357549308.db2.gz VOGTVSAMTJPBLB-UHFFFAOYSA-N 2 0 240.391 1.874 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](CCO)C(C)(C)C ZINC000231075122 357597539 /nfs/dbraw/zinc/59/75/39/357597539.db2.gz XGMZDUTUWUQZPT-RYUDHWBXSA-N 2 0 246.395 1.127 20 0 BDADRP Cc1ccoc1C[NH2+]CCOCC[NH+](C)C ZINC000231676687 357619798 /nfs/dbraw/zinc/61/97/98/357619798.db2.gz NCCUOGJGJBGROM-UHFFFAOYSA-N 2 0 226.320 1.256 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+]C2CCC(O)CC2)C1 ZINC000233515603 357731826 /nfs/dbraw/zinc/73/18/26/357731826.db2.gz VVKUDPABUYVMNJ-PNESKVBLSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@H](CCC[NH3+])NC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000583262489 357749318 /nfs/dbraw/zinc/74/93/18/357749318.db2.gz GMFUVGONXGDQDT-MNOVXSKESA-N 2 0 249.358 1.564 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CC1CCSCC1 ZINC000234714058 357827293 /nfs/dbraw/zinc/82/72/93/357827293.db2.gz OOCWKJMGDWARFN-GFCCVEGCSA-N 2 0 246.420 1.473 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(F)cc1 ZINC000234794292 357828634 /nfs/dbraw/zinc/82/86/34/357828634.db2.gz PLWUPPMRAYXNSZ-ZDUSSCGKSA-N 2 0 240.322 1.669 20 0 BDADRP [NH3+]C1CCC([NH2+]CC2(CO)CCCC2)CC1 ZINC000168584789 134227354 /nfs/dbraw/zinc/22/73/54/134227354.db2.gz PKXDPEUTFHVWGH-UHFFFAOYSA-N 2 0 226.364 1.399 20 0 BDADRP CC[C@H](O)C[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000583318110 357901449 /nfs/dbraw/zinc/90/14/49/357901449.db2.gz QXKCHCXGGLVLGB-OLZOCXBDSA-N 2 0 228.380 1.611 20 0 BDADRP CC[N@H+](CCN[C@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000217416412 357907474 /nfs/dbraw/zinc/90/74/74/357907474.db2.gz WKRKIFXPUPCWMC-NEPJUHHUSA-N 2 0 225.380 1.330 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000583812277 357959956 /nfs/dbraw/zinc/95/99/56/357959956.db2.gz ARJCNHXVVCRGCL-UPJWGTAASA-N 2 0 224.348 1.097 20 0 BDADRP Cc1ccc(CC[NH2+][C@H](C)C2C[NH2+]C2)o1 ZINC000584523936 358038928 /nfs/dbraw/zinc/03/89/28/358038928.db2.gz NBWIBIQKVHCLRF-SNVBAGLBSA-N 2 0 208.305 1.328 20 0 BDADRP CCC1([NH+](C)C)CC[NH+](CCC[C@H](C)O)CC1 ZINC000640016079 358069170 /nfs/dbraw/zinc/06/91/70/358069170.db2.gz SDBNFXZZZZVHPS-ZDUSSCGKSA-N 2 0 242.407 1.954 20 0 BDADRP C[C@H](CN[C@@H]1CCC[C@@H]1C[NH3+])[N@H+](C)C1CC1 ZINC000217614611 134249372 /nfs/dbraw/zinc/24/93/72/134249372.db2.gz MZCIHUVLXBCLKW-NQBHXWOUSA-N 2 0 225.380 1.186 20 0 BDADRP CCC1([NH+](C)C)CC[NH+](CC2(C)COC2)CC1 ZINC000640015687 358069062 /nfs/dbraw/zinc/06/90/62/358069062.db2.gz LJBJRKYMINIQNV-UHFFFAOYSA-N 2 0 240.391 1.829 20 0 BDADRP CCC[C@@H](O)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000450640505 202222836 /nfs/dbraw/zinc/22/28/36/202222836.db2.gz CZOQZWVJOYEDNM-CYBMUJFWSA-N 2 0 240.391 1.708 20 0 BDADRP CC(C)[C@H]1CN(C[C@@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC000640141120 358232337 /nfs/dbraw/zinc/23/23/37/358232337.db2.gz YHYLBFCTECAFOD-UONOGXRCSA-N 2 0 239.407 1.353 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H]2CCSC2)C1 ZINC000224405899 358233394 /nfs/dbraw/zinc/23/33/94/358233394.db2.gz JIHRHXSBPQNBBY-RYUDHWBXSA-N 2 0 228.405 1.671 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@H](C)[C@H](C)CO ZINC000450736803 202251489 /nfs/dbraw/zinc/25/14/89/202251489.db2.gz GXEIUIAWIHMJPE-NEPJUHHUSA-N 2 0 216.369 1.325 20 0 BDADRP COC[C@H](C)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000225713780 358331582 /nfs/dbraw/zinc/33/15/82/358331582.db2.gz XBBCLTDJDKWVKL-NEPJUHHUSA-N 2 0 214.353 1.330 20 0 BDADRP C[C@H](C[NH3+])CN[C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423305137 192694059 /nfs/dbraw/zinc/69/40/59/192694059.db2.gz KEMALWVBYVUBBR-YRGRVCCFSA-N 2 0 235.375 1.129 20 0 BDADRP COC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000226703696 358343648 /nfs/dbraw/zinc/34/36/48/358343648.db2.gz DKVITQHNNNYLDK-NEPJUHHUSA-N 2 0 214.353 1.341 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCCCCO)C1 ZINC000229106728 358345379 /nfs/dbraw/zinc/34/53/79/358345379.db2.gz ROCOLGQTIBMMFJ-QWRGUYRKSA-N 2 0 200.326 1.009 20 0 BDADRP CCOCC[NH+]1CCC(CC[NH3+])CC1 ZINC000042427714 358349272 /nfs/dbraw/zinc/34/92/72/358349272.db2.gz XVVFKMQBNFEDMG-UHFFFAOYSA-N 2 0 200.326 1.084 20 0 BDADRP C([C@H]1CCC[NH2+]C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000227093402 358349354 /nfs/dbraw/zinc/34/93/54/358349354.db2.gz NJSSGJDKAKSUAZ-KBPBESRZSA-N 2 0 237.391 1.156 20 0 BDADRP C[C@H]([N@H+](C)CCN1CC[NH2+]CC1)C(C)(C)C ZINC000042781575 358358300 /nfs/dbraw/zinc/35/83/00/358358300.db2.gz ZZKJSXFUOBBUST-LBPRGKRZSA-N 2 0 227.396 1.258 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CC2CCSCC2)C1 ZINC000229215136 358367588 /nfs/dbraw/zinc/36/75/88/358367588.db2.gz OSPSHAKQNUQOSJ-NWDGAFQWSA-N 2 0 228.405 1.989 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000230680248 358409267 /nfs/dbraw/zinc/40/92/67/358409267.db2.gz UWQACXIWFVJQNB-WOPDTQHZSA-N 2 0 214.353 1.397 20 0 BDADRP CCC(CC)(CO)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000230209552 358396209 /nfs/dbraw/zinc/39/62/09/358396209.db2.gz DLYYIGLMBAYDTF-NEPJUHHUSA-N 2 0 228.380 1.645 20 0 BDADRP CC[C@H](COC)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623426876 358431147 /nfs/dbraw/zinc/43/11/47/358431147.db2.gz BXVNPNOZQOHANX-VXGBXAGGSA-N 2 0 228.380 1.874 20 0 BDADRP Cc1nc(C[NH2+]CC2CC[NH+](C)CC2)cs1 ZINC000044516151 358550598 /nfs/dbraw/zinc/55/05/98/358550598.db2.gz DAMDJWKOFWOHRQ-UHFFFAOYSA-N 2 0 239.388 1.883 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CC[NH+](CC2CC2)CC1 ZINC000042491266 358525000 /nfs/dbraw/zinc/52/50/00/358525000.db2.gz ZOPFSQOGLNLNCR-CQSZACIVSA-N 2 0 239.407 1.387 20 0 BDADRP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C(C)C ZINC000042588487 358527555 /nfs/dbraw/zinc/52/75/55/358527555.db2.gz RNBSUQZETBOMIE-STQMWFEESA-N 2 0 228.380 1.467 20 0 BDADRP C1CC1[N@@H+]1CC[C@@H](N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000130212301 358614379 /nfs/dbraw/zinc/61/43/79/358614379.db2.gz VXWBCPPDCUIEKU-UMVBOHGHSA-N 2 0 249.402 1.440 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)C2CC[NH2+]CC2)cc1 ZINC000131527085 358681062 /nfs/dbraw/zinc/68/10/62/358681062.db2.gz DLTPNMLJZMPHRU-UHFFFAOYSA-N 2 0 233.315 1.083 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+]CCC[NH+]1CCCC1 ZINC000049332678 358683394 /nfs/dbraw/zinc/68/33/94/358683394.db2.gz WBMTWFPSYDHRJC-CYBMUJFWSA-N 2 0 236.363 1.347 20 0 BDADRP C[NH+](C)CCCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000131910352 358700520 /nfs/dbraw/zinc/70/05/20/358700520.db2.gz FOSGYWVIFHAFOA-KGLIPLIRSA-N 2 0 233.359 1.673 20 0 BDADRP COc1cc(C)nc(C[NH+]2CCC(C[NH3+])CC2)c1 ZINC000214081830 358753435 /nfs/dbraw/zinc/75/34/35/358753435.db2.gz WHMMZSHKXMXWNK-UHFFFAOYSA-N 2 0 249.358 1.569 20 0 BDADRP CCC[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000133578455 358759803 /nfs/dbraw/zinc/75/98/03/358759803.db2.gz LPMGKFTVJOXSES-ZDEQEGDKSA-N 2 0 228.380 1.466 20 0 BDADRP COC(C)(C)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000133671486 358762401 /nfs/dbraw/zinc/76/24/01/358762401.db2.gz MDUIJXTUAGIJLC-VXGBXAGGSA-N 2 0 226.364 1.628 20 0 BDADRP CCC[C@@H](CC)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000050403924 358729417 /nfs/dbraw/zinc/72/94/17/358729417.db2.gz AGIJJEYFSKJXCT-OLZOCXBDSA-N 2 0 228.380 1.611 20 0 BDADRP COCC[C@@H](C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000081706958 491136217 /nfs/dbraw/zinc/13/62/17/491136217.db2.gz DVQNKOVGBURHRM-VXGBXAGGSA-N 2 0 228.380 1.731 20 0 BDADRP COCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134903612 358810268 /nfs/dbraw/zinc/81/02/68/358810268.db2.gz JCXTUSMOVQFHGD-OCCSQVGLSA-N 2 0 238.375 1.582 20 0 BDADRP [NH3+]CCC1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000578242048 366468430 /nfs/dbraw/zinc/46/84/30/366468430.db2.gz HLHUFPQUHXXNJA-CYBMUJFWSA-N 3 0 225.380 1.047 20 0 BDADRP CCC[N@H+](C)C[C@@H]1CCN(CCC(=O)OC)C1 ZINC000177035669 134293814 /nfs/dbraw/zinc/29/38/14/134293814.db2.gz ZJJOPFGFXGWJHK-LBPRGKRZSA-N 2 0 242.363 1.213 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@H](C[NH2+]C)C1 ZINC000053012709 358806231 /nfs/dbraw/zinc/80/62/31/358806231.db2.gz VEPCIKYVTYDGNN-CYBMUJFWSA-N 2 0 227.396 1.260 20 0 BDADRP C[C@@H](c1nc(-c2ccc(C[NH3+])cc2)no1)[C@H](C)[NH3+] ZINC000567110067 358849082 /nfs/dbraw/zinc/84/90/82/358849082.db2.gz PRBXUVHISCVILR-BDAKNGLRSA-N 2 0 246.314 1.646 20 0 BDADRP CC[NH+]1CCC(N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000086403436 358967983 /nfs/dbraw/zinc/96/79/83/358967983.db2.gz KFHRKPBVUXIHDM-AAEUAGOBSA-N 2 0 225.380 1.330 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000086404609 358968763 /nfs/dbraw/zinc/96/87/63/358968763.db2.gz GMCFDSANRSYLCC-DCAQKATOSA-N 2 0 200.326 1.007 20 0 BDADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)C1CC1 ZINC000177322484 134299345 /nfs/dbraw/zinc/29/93/45/134299345.db2.gz WANFCZNGEIZNHA-TZMCWYRMSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@H](C[NH3+])N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423318831 192704512 /nfs/dbraw/zinc/70/45/12/192704512.db2.gz DVBWSCHKIBVOKH-JFUSQASVSA-N 2 0 205.305 1.068 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cnccn1 ZINC000070479537 359057613 /nfs/dbraw/zinc/05/76/13/359057613.db2.gz VPGYIVFJRYIWBN-LLVKDONJSA-N 2 0 234.347 1.469 20 0 BDADRP CCCC[C@H](COC)[NH2+]CC1=CC[NH2+]CC1 ZINC000423347444 192721948 /nfs/dbraw/zinc/72/19/48/192721948.db2.gz QMULPOIXUJTVKD-CYBMUJFWSA-N 2 0 226.364 1.701 20 0 BDADRP COCC1CCC([NH2+]CC2=CC[NH2+]CC2)CC1 ZINC000423352982 192726174 /nfs/dbraw/zinc/72/61/74/192726174.db2.gz LFRUKZIUILBISE-UHFFFAOYSA-N 2 0 238.375 1.701 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@@H]1CCOC1 ZINC000246813111 359167984 /nfs/dbraw/zinc/16/79/84/359167984.db2.gz AFNWDBFJZJVSSY-REWJHTLYSA-N 2 0 240.391 1.874 20 0 BDADRP COC[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000247314126 359211256 /nfs/dbraw/zinc/21/12/56/359211256.db2.gz RJNWOJLUENXGSN-ZIAGYGMSSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)C1CC1 ZINC000247392386 359217750 /nfs/dbraw/zinc/21/77/50/359217750.db2.gz WANFCZNGEIZNHA-OCCSQVGLSA-N 2 0 240.391 1.611 20 0 BDADRP c1ccc([C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C2CC2)cc1 ZINC000423429000 192752823 /nfs/dbraw/zinc/75/28/23/192752823.db2.gz JTRPRYVGRJULON-LJISPDSOSA-N 2 0 228.339 1.945 20 0 BDADRP C[C@H](CCCO)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623444949 359338298 /nfs/dbraw/zinc/33/82/98/359338298.db2.gz XRBDBLGTIBIIKP-VXGBXAGGSA-N 2 0 228.380 1.610 20 0 BDADRP CC[C@H](O)CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623451329 359345440 /nfs/dbraw/zinc/34/54/40/359345440.db2.gz SZSHGNXFUIHFAT-RYUDHWBXSA-N 2 0 228.380 1.610 20 0 BDADRP Cc1cc([C@H](C)[NH2+][C@H](C)CCCC[NH3+])nn1C ZINC000423437043 192769378 /nfs/dbraw/zinc/76/93/78/192769378.db2.gz QGQGDHAFSHCRDI-PWSUYJOCSA-N 2 0 238.379 1.897 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)C1CCOCC1 ZINC000423467392 192782476 /nfs/dbraw/zinc/78/24/76/192782476.db2.gz IURWKOMVQKGTLB-SGMGOOAPSA-N 2 0 240.391 1.909 20 0 BDADRP COC[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)C(C)C ZINC000423476261 192786245 /nfs/dbraw/zinc/78/62/45/192786245.db2.gz RAKPGBJXUUEKJW-XQQFMLRXSA-N 2 0 228.380 1.765 20 0 BDADRP C[C@H](N[C@H](C[NH3+])C1CCCC1)[C@H]1CCC[NH2+]1 ZINC000423517405 192801808 /nfs/dbraw/zinc/80/18/08/192801808.db2.gz YQFVVHOYYZGFHA-CYZMBNFOSA-N 2 0 225.380 1.234 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CC1=CCCCC1 ZINC000379565260 359545200 /nfs/dbraw/zinc/54/52/00/359545200.db2.gz FOFCBAGLQKFNQO-CYBMUJFWSA-N 2 0 226.364 1.830 20 0 BDADRP CC[NH+]1CCC(C[NH2+]CC2=CCCOC2)CC1 ZINC000379581409 359554133 /nfs/dbraw/zinc/55/41/33/359554133.db2.gz LPFIYRSFHVRVKW-UHFFFAOYSA-N 2 0 238.375 1.655 20 0 BDADRP COC[C@H](C)C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000191301161 359555520 /nfs/dbraw/zinc/55/55/20/359555520.db2.gz LDLNTXXSJPHYRO-GFCCVEGCSA-N 2 0 228.380 1.731 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)CO)CC1(C)C ZINC000623467276 359673565 /nfs/dbraw/zinc/67/35/65/359673565.db2.gz BKECOZJGVCDRGG-LLVKDONJSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CCC(F)(F)C1 ZINC000309119094 491145166 /nfs/dbraw/zinc/14/51/66/491145166.db2.gz MTPRFEBYEZYESA-UTLUCORTSA-N 2 0 218.291 1.714 20 0 BDADRP C[N@H+](C[C@H](O)CN1CCC[C@](C)(F)C1)C1CC1 ZINC000451112898 202354947 /nfs/dbraw/zinc/35/49/47/202354947.db2.gz IUXCIOWOKPGDJM-STQMWFEESA-N 2 0 244.354 1.266 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CC[C@H](O)CC2)CC1(C)C ZINC000623471607 359876259 /nfs/dbraw/zinc/87/62/59/359876259.db2.gz HHBUMOXYGGLKED-JHJVBQTASA-N 2 0 240.391 1.752 20 0 BDADRP [NH3+]C1(c2noc(C34CCC[NH+]3CCC4)n2)CCC1 ZINC000578650628 366619910 /nfs/dbraw/zinc/61/99/10/366619910.db2.gz APTZGYOUCUCURS-UHFFFAOYSA-N 2 0 248.330 1.492 20 0 BDADRP C[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000578549640 366594516 /nfs/dbraw/zinc/59/45/16/366594516.db2.gz UNPJMOQACMBHGW-NDBYEHHHSA-N 2 0 226.364 1.804 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CC(C1CC1)C1CC1 ZINC000578617134 366607054 /nfs/dbraw/zinc/60/70/54/366607054.db2.gz YZTMPQHAEKPTMC-QWHCGFSZSA-N 2 0 208.349 1.892 20 0 BDADRP C[N@@H+]1CCCC[C@H]1CCC(=O)NCCCC[NH3+] ZINC000578768401 366630702 /nfs/dbraw/zinc/63/07/02/366630702.db2.gz ZCYHHGGBJWEAJX-LBPRGKRZSA-N 2 0 241.379 1.106 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCc1ccc(O)cc1 ZINC000089150306 359993571 /nfs/dbraw/zinc/99/35/71/359993571.db2.gz WCEURTJMGPDKDK-OCCSQVGLSA-N 2 0 234.343 1.652 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1cccnc1 ZINC000089144637 359992786 /nfs/dbraw/zinc/99/27/86/359992786.db2.gz IKKDIRBXLOCUNF-KGLIPLIRSA-N 2 0 233.359 1.731 20 0 BDADRP COc1ccc(CC[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089147312 359992863 /nfs/dbraw/zinc/99/28/63/359992863.db2.gz DWTKUMFZKIOOQC-ZFWWWQNUSA-N 2 0 248.370 1.955 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1NCCC[NH+]1CCCC1 ZINC000089140141 359992890 /nfs/dbraw/zinc/99/28/90/359992890.db2.gz RLMMKGXGAVDKTE-KGLIPLIRSA-N 2 0 239.407 1.579 20 0 BDADRP CC(C)C[NH+]1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000089749408 360036794 /nfs/dbraw/zinc/03/67/94/360036794.db2.gz UNCGOKCDOYTMDH-AWEZNQCLSA-N 2 0 239.407 1.260 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCc1ccc(O)cc1 ZINC000089150305 359994292 /nfs/dbraw/zinc/99/42/92/359994292.db2.gz WCEURTJMGPDKDK-TZMCWYRMSA-N 2 0 234.343 1.652 20 0 BDADRP C[N@@H+]1CCC[C@@H]2CN(Cc3cc[nH]n3)CC[C@@H]21 ZINC000092043674 360147203 /nfs/dbraw/zinc/14/72/03/360147203.db2.gz LKCPXTLWLOUTBJ-YPMHNXCESA-N 2 0 234.347 1.326 20 0 BDADRP [NH3+]C1CCC([NH2+][C@@H](CO)Cc2ccccc2)CC1 ZINC000094088987 360296679 /nfs/dbraw/zinc/29/66/79/360296679.db2.gz ZNQAGLYGPUYQFJ-YMAMQOFZSA-N 2 0 248.370 1.450 20 0 BDADRP C[C@@H]1CCC[C@H](C[N@H+](C)CCOCC[NH3+])C1 ZINC000381036285 360536732 /nfs/dbraw/zinc/53/67/32/360536732.db2.gz FHNTUEZNTUHSHG-OLZOCXBDSA-N 2 0 228.380 1.720 20 0 BDADRP NC(=O)c1cccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000093211103 181303920 /nfs/dbraw/zinc/30/39/20/181303920.db2.gz RBPQELAJXBXJSJ-STQMWFEESA-N 2 0 247.342 1.145 20 0 BDADRP CC[C@H]([NH3+])CNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000449600299 200694253 /nfs/dbraw/zinc/69/42/53/200694253.db2.gz NWDHFKNBSWUOSO-SRVKXCTJSA-N 2 0 241.379 1.138 20 0 BDADRP CC(C)[NH2+]C1CCN(CC[NH2+]C(C)(C)C)CC1 ZINC000414688014 200759449 /nfs/dbraw/zinc/75/94/49/200759449.db2.gz CPMJYNLXPHPFTD-UHFFFAOYSA-N 2 0 241.423 1.837 20 0 BDADRP Cc1ncccc1C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414902067 200779088 /nfs/dbraw/zinc/77/90/88/200779088.db2.gz KDNBVTMRCACJCU-CQSZACIVSA-N 2 0 233.359 1.869 20 0 BDADRP [NH3+]CC1CCC([NH2+]C[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000414994869 200788196 /nfs/dbraw/zinc/78/81/96/200788196.db2.gz DWNHRBYHCLLUCW-QPPOZKHWSA-N 3 0 239.407 1.611 20 0 BDADRP C[C@H](CN[C@@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000156258763 360959528 /nfs/dbraw/zinc/95/95/28/360959528.db2.gz YYFYXFAXAUQNSB-QJPTWQEYSA-N 2 0 213.369 1.009 20 0 BDADRP Cc1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)on1 ZINC000631121171 360985115 /nfs/dbraw/zinc/98/51/15/360985115.db2.gz PXZOCGVLMYGEQA-UHFFFAOYSA-N 2 0 249.358 1.947 20 0 BDADRP C[C@@H]1C[NH+](CC2CC[NH2+]CC2)C[C@@H](C)S1 ZINC000069908583 361014074 /nfs/dbraw/zinc/01/40/74/361014074.db2.gz AKASGQVVQZAYQW-GHMZBOCLSA-N 2 0 228.405 1.812 20 0 BDADRP Cc1ccc(C[NH2+]CC2([NH3+])CCOCC2)c(C)c1 ZINC000629389227 361035345 /nfs/dbraw/zinc/03/53/45/361035345.db2.gz ZWNAFBPDBBWTKH-UHFFFAOYSA-N 2 0 248.370 1.901 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000629389842 361036722 /nfs/dbraw/zinc/03/67/22/361036722.db2.gz BVDLSOAUGIDSEZ-WHOHXGKFSA-N 2 0 212.337 1.284 20 0 BDADRP C[C@@H]1CCC[C@@H]([NH2+]CC2([NH3+])CCOCC2)C1 ZINC000629387038 361039357 /nfs/dbraw/zinc/03/93/57/361039357.db2.gz CXKLRUFLUSMHGL-VXGBXAGGSA-N 2 0 226.364 1.663 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CC2([NH3+])CCOCC2)[C@@H](C)C1 ZINC000629388058 361040082 /nfs/dbraw/zinc/04/00/82/361040082.db2.gz MJUQEZNHBVWSDL-FRRDWIJNSA-N 2 0 240.391 1.909 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1NCc1sccc1OC ZINC000629388400 361041201 /nfs/dbraw/zinc/04/12/01/361041201.db2.gz OFVWXGZAPCMVNS-VHSXEESVSA-N 2 0 240.372 1.987 20 0 BDADRP [NH3+]CCCOCC[NH2+]Cc1ccc(Cl)cc1 ZINC000629397588 361047647 /nfs/dbraw/zinc/04/76/47/361047647.db2.gz AETSZQXTUHEEFK-UHFFFAOYSA-N 2 0 242.750 1.795 20 0 BDADRP Cc1cc(C[NH2+]CCOCCC[NH3+])ccc1F ZINC000629399353 361049844 /nfs/dbraw/zinc/04/98/44/361049844.db2.gz QQXWTKDPYKDSRV-UHFFFAOYSA-N 2 0 240.322 1.589 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000629404043 361049949 /nfs/dbraw/zinc/04/99/49/361049949.db2.gz HTSXGOZWILOAPO-ZIAGYGMSSA-N 2 0 240.391 1.781 20 0 BDADRP [NH3+]CCCOCC[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000629400237 361050975 /nfs/dbraw/zinc/05/09/75/361050975.db2.gz QYKWXNNKHBCHMM-KBPBESRZSA-N 2 0 240.391 1.910 20 0 BDADRP C[C@H]1CCCC[C@@H]1C[NH2+]CCOCCC[NH3+] ZINC000629400543 361051895 /nfs/dbraw/zinc/05/18/95/361051895.db2.gz CZEKWLKMWYVSMP-QWHCGFSZSA-N 2 0 228.380 1.768 20 0 BDADRP CC(C)[C@H]1CCC[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629401093 361052096 /nfs/dbraw/zinc/05/20/96/361052096.db2.gz OXQVUHWAXPEGOK-CHWSQXEVSA-N 2 0 228.380 1.766 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H](C)CC1CCC1 ZINC000629406811 361053908 /nfs/dbraw/zinc/05/39/08/361053908.db2.gz YQVWRZMOMFWJJU-LLVKDONJSA-N 2 0 214.353 1.391 20 0 BDADRP C[C@H]([NH2+]CC1([NH3+])CCOCC1)[C@H]1CC1(C)C ZINC000629519236 361118737 /nfs/dbraw/zinc/11/87/37/361118737.db2.gz FDEDPELLXNYDCX-WDEREUQCSA-N 2 0 226.364 1.519 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)[C@H](C)[C@@H](C)[NH3+])c1 ZINC000424236539 200894110 /nfs/dbraw/zinc/89/41/10/200894110.db2.gz JBTHIRJQVULNLO-NXEZZACHSA-N 2 0 235.331 1.376 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)[C@H](C[NH3+])C(C)C)c1 ZINC000424236603 200894168 /nfs/dbraw/zinc/89/41/68/200894168.db2.gz JERGWVLNDWQZJZ-CYBMUJFWSA-N 2 0 249.358 1.623 20 0 BDADRP C[NH2+]CC1CC[NH+](Cc2cccnc2N)CC1 ZINC000629511562 361106124 /nfs/dbraw/zinc/10/61/24/361106124.db2.gz OLXSEJGRZVXDGW-UHFFFAOYSA-N 2 0 234.347 1.095 20 0 BDADRP CCO[C@@H](C[NH2+][C@@](C)(C[NH3+])C(C)C)C1CC1 ZINC000629516016 361110059 /nfs/dbraw/zinc/11/00/59/361110059.db2.gz YZQPSZSZBAGEIP-STQMWFEESA-N 2 0 228.380 1.765 20 0 BDADRP C[N@H+](CCOC1CCOCC1)CC(C)(C)C[NH3+] ZINC000629515177 361112573 /nfs/dbraw/zinc/11/25/73/361112573.db2.gz ZYORSJCNXKKNAZ-UHFFFAOYSA-N 2 0 244.379 1.099 20 0 BDADRP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)C1CCCC1 ZINC000629519653 361120527 /nfs/dbraw/zinc/12/05/27/361120527.db2.gz CDCDHFJMCCKHJU-LLVKDONJSA-N 2 0 226.364 1.663 20 0 BDADRP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629520524 361116577 /nfs/dbraw/zinc/11/65/77/361116577.db2.gz GYKLFZKXRBDCHN-ITGUQSILSA-N 2 0 240.391 1.909 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)CCCCO ZINC000629527088 361131701 /nfs/dbraw/zinc/13/17/01/361131701.db2.gz JUBZURNVDZFYLY-SDDRHHMPSA-N 2 0 214.353 1.268 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCOC1 ZINC000424369920 200923068 /nfs/dbraw/zinc/92/30/68/200923068.db2.gz RYOYXMBKMFXHTI-QJPTWQEYSA-N 2 0 212.337 1.273 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000629528469 361136313 /nfs/dbraw/zinc/13/63/13/361136313.db2.gz ZTCXSLYAPONCEO-MROQNXINSA-N 2 0 225.380 1.247 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H](C)C(C)(C)C ZINC000629528489 361137154 /nfs/dbraw/zinc/13/71/54/361137154.db2.gz AFAJCDUIJGCTGK-JTQLQIEISA-N 2 0 202.342 1.247 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H](C)c1cncs1 ZINC000629528677 361137407 /nfs/dbraw/zinc/13/74/07/361137407.db2.gz GMRXIHPQMQFADV-SECBINFHSA-N 2 0 229.349 1.030 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1sccc1C ZINC000629529214 361138711 /nfs/dbraw/zinc/13/87/11/361138711.db2.gz VITHGYDJROKGLW-NSHDSACASA-N 2 0 242.388 1.943 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H](C)c1cncc(C)c1 ZINC000629529823 361141531 /nfs/dbraw/zinc/14/15/31/361141531.db2.gz NQFFDPMXRFSQHH-GFCCVEGCSA-N 2 0 237.347 1.277 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H](C1CC1)C1CCC1 ZINC000629530589 361144430 /nfs/dbraw/zinc/14/44/30/361144430.db2.gz KRPMWFVKHUGKSJ-ZDUSSCGKSA-N 2 0 226.364 1.391 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H](COC)C1CCCC1 ZINC000629530752 361145758 /nfs/dbraw/zinc/14/57/58/361145758.db2.gz QFXKOGUECURJDH-CYBMUJFWSA-N 2 0 244.379 1.017 20 0 BDADRP CC(C)CC[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000629525346 361125477 /nfs/dbraw/zinc/12/54/77/361125477.db2.gz XWVQWTYROZSRRF-WJLOJVBCSA-N 2 0 240.391 1.656 20 0 BDADRP CCSCC[N@H+](C)CC(C)(C)C[NH3+] ZINC000158584196 361205311 /nfs/dbraw/zinc/20/53/11/361205311.db2.gz RFBRKHBRDRNICZ-UHFFFAOYSA-N 2 0 204.383 1.656 20 0 BDADRP C[C@H]1SCC[N@H+](CC2CC[NH2+]CC2)[C@@H]1C ZINC000158589802 361205569 /nfs/dbraw/zinc/20/55/69/361205569.db2.gz KLYSPFIISZCWLJ-GHMZBOCLSA-N 2 0 228.405 1.812 20 0 BDADRP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CCC1)[C@H]1CCC[NH2+]1 ZINC000424380637 200926960 /nfs/dbraw/zinc/92/69/60/200926960.db2.gz XHJCSDWHBGLJSY-GWNIPJSYSA-N 2 0 208.349 1.905 20 0 BDADRP CCSCC[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000158571531 361204040 /nfs/dbraw/zinc/20/40/40/361204040.db2.gz DBUMVJJXNNUNIC-JTQLQIEISA-N 2 0 216.394 1.799 20 0 BDADRP CC[C@H](C(=O)N[C@@H](C)C[C@@H](C)[NH3+])[NH+](CC)CC ZINC000578993291 366689429 /nfs/dbraw/zinc/68/94/29/366689429.db2.gz SJRCCECWIUGCET-GRYCIOLGSA-N 2 0 243.395 1.349 20 0 BDADRP C[C@H]([NH3+])CC[NH2+]C1CCN(c2ccccn2)CC1 ZINC000622045751 370679419 /nfs/dbraw/zinc/67/94/19/370679419.db2.gz UUOKLSHZIDBNCE-LBPRGKRZSA-N 2 0 248.374 1.377 20 0 BDADRP CC(C)(C[NH3+])C(=O)NCC1([NH3+])CCCCCC1 ZINC000428558155 201027430 /nfs/dbraw/zinc/02/74/30/201027430.db2.gz KKMVTMWHTLSXON-UHFFFAOYSA-N 2 0 241.379 1.139 20 0 BDADRP CC[C@H](C(=O)NC[C@@H](C)C[NH2+]C)[NH+](CC)CC ZINC000429220709 201080112 /nfs/dbraw/zinc/08/01/12/201080112.db2.gz HLMXVKYWFXYIDV-NWDGAFQWSA-N 2 0 243.395 1.079 20 0 BDADRP CCC[C@@H](C)CCC[N@H+](C)C[C@@H](O)C[NH3+] ZINC000629539179 361405107 /nfs/dbraw/zinc/40/51/07/361405107.db2.gz VPESFBSPBNNEGB-NEPJUHHUSA-N 2 0 216.369 1.454 20 0 BDADRP C/C=C\C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000629537069 361399449 /nfs/dbraw/zinc/39/94/49/361399449.db2.gz JOWDTNRQAFLIMI-JSUMNLKUSA-N 2 0 224.348 1.309 20 0 BDADRP C[C@H]([NH2+]CCOCCC[NH3+])c1cccc(O)c1 ZINC000629537997 361402592 /nfs/dbraw/zinc/40/25/92/361402592.db2.gz LKLGOGGXEHMJNL-NSHDSACASA-N 2 0 238.331 1.408 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000629538898 361403648 /nfs/dbraw/zinc/40/36/48/361403648.db2.gz PXKARIHQPJBVRS-VLJOUNFMSA-N 2 0 244.379 1.142 20 0 BDADRP CC[C@@H]([NH2+]CCOCCC[NH3+])C1CC1 ZINC000629535254 361410324 /nfs/dbraw/zinc/41/03/24/361410324.db2.gz DEMGSGSSBNLJCL-LLVKDONJSA-N 2 0 200.326 1.130 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CC[C@@H](C)NC1 ZINC000629535862 361411301 /nfs/dbraw/zinc/41/13/01/361411301.db2.gz DHZNECDGRHYESE-GRYCIOLGSA-N 3 0 213.369 1.234 20 0 BDADRP C[C@@H]([NH2+]CCOCCC[NH3+])[C@H]1CC1(C)C ZINC000629534471 361407534 /nfs/dbraw/zinc/40/75/34/361407534.db2.gz ADXPHZCUSVSZKE-GHMZBOCLSA-N 2 0 214.353 1.376 20 0 BDADRP Cc1ccc([C@@H](C)[NH2+]CCOCCC[NH3+])o1 ZINC000629542466 361419835 /nfs/dbraw/zinc/41/98/35/361419835.db2.gz ZWODBCYTROBBFD-LLVKDONJSA-N 2 0 226.320 1.604 20 0 BDADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CC[NH2+][C@H]1C ZINC000629544269 361423247 /nfs/dbraw/zinc/42/32/47/361423247.db2.gz HEVUVWYCWDGWNG-XDQVBPFNSA-N 2 0 239.407 1.637 20 0 BDADRP CC[C@H](O)C[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000579465227 366815183 /nfs/dbraw/zinc/81/51/83/366815183.db2.gz PEBRPFDIWGJOQV-ZDUSSCGKSA-N 2 0 230.396 1.856 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000629547725 361431307 /nfs/dbraw/zinc/43/13/07/361431307.db2.gz ULJDVTRWLXBGCZ-OLRMPSLUSA-N 2 0 231.343 1.471 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000629547797 361431457 /nfs/dbraw/zinc/43/14/57/361431457.db2.gz UTXCRTYFJALCDB-MRTXSQPYSA-N 2 0 237.391 1.199 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCCC12CCOCC2 ZINC000629548374 361432437 /nfs/dbraw/zinc/43/24/37/361432437.db2.gz ZDTNDYDYPBYUBA-YNEHKIRRSA-N 2 0 238.375 1.676 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCN(C)CC(F)F ZINC000629554695 361435725 /nfs/dbraw/zinc/43/57/25/361435725.db2.gz NQBRBZNQWWWJBE-MNOVXSKESA-N 2 0 249.349 1.161 20 0 BDADRP COCC[C@H]1CCC[C@H]1[NH2+][C@@H]1CC[NH2+]C1 ZINC000629553215 361438077 /nfs/dbraw/zinc/43/80/77/361438077.db2.gz OVPFNSUURLNVGT-IJLUTSLNSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H]1C[C@@H]1CN1CC2CCC1(C[NH3+])CC2 ZINC000629549633 361441693 /nfs/dbraw/zinc/44/16/93/361441693.db2.gz SWSYMWHNIMHOTR-GMKTYKIGSA-N 2 0 208.349 1.846 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000629549971 361443273 /nfs/dbraw/zinc/44/32/73/361443273.db2.gz UMQQSSRYKSDPSC-KGYLQXTDSA-N 2 0 226.364 1.661 20 0 BDADRP CC1(C)CC(C[N@@H+]2CC3CC2(C[NH3+])C3)C1 ZINC000629551978 361444228 /nfs/dbraw/zinc/44/42/28/361444228.db2.gz ZAWLUIPHBOQADN-UHFFFAOYSA-N 2 0 208.349 1.846 20 0 BDADRP CCO[C@H](C[NH2+][C@@H]1CCCC[C@H]1[NH3+])C1CC1 ZINC000629541309 361416427 /nfs/dbraw/zinc/41/64/27/361416427.db2.gz ZBKDVSOOLICHQE-JHJVBQTASA-N 2 0 226.364 1.661 20 0 BDADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1cccs1 ZINC000629541767 361416775 /nfs/dbraw/zinc/41/67/75/361416775.db2.gz VMMDCDQPFHVDDG-SNVBAGLBSA-N 2 0 228.361 1.764 20 0 BDADRP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629542202 361418392 /nfs/dbraw/zinc/41/83/92/361418392.db2.gz WPNGVMWMSLMKLL-SWLSCSKDSA-N 2 0 248.370 1.875 20 0 BDADRP CCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629564493 361459408 /nfs/dbraw/zinc/45/94/08/361459408.db2.gz LNBAQWNDAKEFFC-RKDXNWHRSA-N 2 0 224.270 1.856 20 0 BDADRP O[C@H](C[NH2+]CC[C@H]1CC1(F)F)C[NH+]1CCCC1 ZINC000629595809 361483833 /nfs/dbraw/zinc/48/38/33/361483833.db2.gz QQVRQQDBVRKWST-WDEREUQCSA-N 2 0 248.317 1.078 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccn(C)c1 ZINC000629646814 361535481 /nfs/dbraw/zinc/53/54/81/361535481.db2.gz FKIVJTRKMXXCJF-PWSUYJOCSA-N 2 0 207.321 1.194 20 0 BDADRP COCCC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152413385 201197632 /nfs/dbraw/zinc/19/76/32/201197632.db2.gz XYHQBXZPDGXTBH-GFCCVEGCSA-N 2 0 214.353 1.297 20 0 BDADRP COC1(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)CCCC1 ZINC000629648515 361540731 /nfs/dbraw/zinc/54/07/31/361540731.db2.gz VYCWTGWWQOATKE-ZDUSSCGKSA-N 2 0 240.391 1.925 20 0 BDADRP Cn1ccc(C[NH2+]CCC[C@H]2CCC[NH2+]2)c1 ZINC000629649390 361544889 /nfs/dbraw/zinc/54/48/89/361544889.db2.gz SKFBLYCMIKNKJP-ZDUSSCGKSA-N 2 0 221.348 1.647 20 0 BDADRP Cc1cnccc1C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000629649338 361544896 /nfs/dbraw/zinc/54/48/96/361544896.db2.gz PXNILZIWATYPNS-YPMHNXCESA-N 2 0 219.332 1.607 20 0 BDADRP COC1(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)CCCC1 ZINC000629649507 361545042 /nfs/dbraw/zinc/54/50/42/361545042.db2.gz UHWIUDBPIWMJGD-NWDGAFQWSA-N 2 0 226.364 1.676 20 0 BDADRP COC1(C[NH2+][C@H](C)C[C@@H](C)[NH3+])CCCC1 ZINC000629649782 361545880 /nfs/dbraw/zinc/54/58/80/361545880.db2.gz GJVYRGSWOVSOKH-GHMZBOCLSA-N 2 0 214.353 1.661 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccn(C)c1 ZINC000629649896 361546393 /nfs/dbraw/zinc/54/63/93/361546393.db2.gz JVWCGXHAEUFATP-ZYHUDNBSSA-N 2 0 207.321 1.337 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)CCC(C)(C)C ZINC000629653173 361551052 /nfs/dbraw/zinc/55/10/52/361551052.db2.gz HLIZZIAKORNJRE-UHFFFAOYSA-N 2 0 216.369 1.590 20 0 BDADRP C[C@@H]1CCC[C@H](C[NH2+]CC2([NH3+])CCOCC2)C1 ZINC000629653440 361553206 /nfs/dbraw/zinc/55/32/06/361553206.db2.gz HJXKWRDRBHWCFX-OLZOCXBDSA-N 2 0 240.391 1.910 20 0 BDADRP CCC[C@@H](C)C[N@H+](C)CCOCC[NH2+]C ZINC000629654290 361554627 /nfs/dbraw/zinc/55/46/27/361554627.db2.gz PCICPQSGCKBAAU-GFCCVEGCSA-N 2 0 216.369 1.590 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629669795 361589735 /nfs/dbraw/zinc/58/97/35/361589735.db2.gz XOHAOAZBBRYGME-MELADBBJSA-N 2 0 239.407 1.291 20 0 BDADRP CC[C@H]([NH2+]CCC[N@H+](C)CCOC)C1CC1 ZINC000153790065 201249298 /nfs/dbraw/zinc/24/92/98/201249298.db2.gz CLRDALRXHOINON-ZDUSSCGKSA-N 2 0 228.380 1.733 20 0 BDADRP C[N@H+](CCCCCO)CCC[NH+]1CCCCC1 ZINC000434689549 201233909 /nfs/dbraw/zinc/23/39/09/201233909.db2.gz BSFKKCNCJWCWQY-UHFFFAOYSA-N 2 0 242.407 1.957 20 0 BDADRP [NH3+]C1CCC([NH2+]C[C@H]2Cc3ccccc3O2)CC1 ZINC000094087897 181341106 /nfs/dbraw/zinc/34/11/06/181341106.db2.gz PLCPRGJDCRZXIN-JXQTWKCFSA-N 2 0 246.354 1.850 20 0 BDADRP CCN(C[C@@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]CC1 ZINC000435395513 201268528 /nfs/dbraw/zinc/26/85/28/201268528.db2.gz TUTIHUOZBYKCQA-KGLIPLIRSA-N 2 0 239.407 1.450 20 0 BDADRP C[NH2+]CCc1cccc(C2=CC[NH2+]CC2)c1 ZINC000629724186 361664680 /nfs/dbraw/zinc/66/46/80/361664680.db2.gz ZYCRVQUGICRZCW-UHFFFAOYSA-N 2 0 216.328 1.825 20 0 BDADRP C[NH2+]CCC[N@H+](C)[C@@H](CCO)c1ccccc1 ZINC000435868939 201291191 /nfs/dbraw/zinc/29/11/91/201291191.db2.gz HOSQNVLZYGYDJR-AWEZNQCLSA-N 2 0 236.359 1.651 20 0 BDADRP CCC[NH+]1CCC(NC[C@H]2CCC[N@@H+]2C)CC1 ZINC000154505846 201281483 /nfs/dbraw/zinc/28/14/83/201281483.db2.gz FFGLPSFHCYKLOF-CQSZACIVSA-N 2 0 239.407 1.545 20 0 BDADRP [NH3+]C1CCC([NH2+][C@H]2CCN3CCCC[C@@H]23)CC1 ZINC000094079170 181342702 /nfs/dbraw/zinc/34/27/02/181342702.db2.gz JQGWLUJHJUMXGQ-HOAMVYINSA-N 2 0 237.391 1.473 20 0 BDADRP CCC[N@H+](C)C[C@@H]1CCN(CCC[NH2+]C)C1 ZINC000435881819 201295707 /nfs/dbraw/zinc/29/57/07/201295707.db2.gz QJXHPERSMWINQF-ZDUSSCGKSA-N 2 0 227.396 1.260 20 0 BDADRP COC[C@H](CC(C)C)[NH2+]C1CCC([NH3+])CC1 ZINC000437783322 201372242 /nfs/dbraw/zinc/37/22/42/201372242.db2.gz ZTZVACKNLKVBJR-BPCQOVAHSA-N 2 0 228.380 1.907 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@H](C)C(C)(C)O)CC1 ZINC000083725705 491162697 /nfs/dbraw/zinc/16/26/97/491162697.db2.gz NFWXYAIZVNFTOO-LLVKDONJSA-N 2 0 228.380 1.608 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1ccco1 ZINC000155964959 201378130 /nfs/dbraw/zinc/37/81/30/201378130.db2.gz QLHHBHRJUQJNRZ-AAEUAGOBSA-N 2 0 222.332 1.752 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@]2(O)CCC[C@@H]2C)CC1 ZINC000328135319 363848291 /nfs/dbraw/zinc/84/82/91/363848291.db2.gz XXPGVJIYXGZWHU-GXTWGEPZSA-N 2 0 240.391 1.611 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000422740579 541307073 /nfs/dbraw/zinc/30/70/73/541307073.db2.gz CAWDIWCTQFFDTI-SJHCENCUSA-N 2 0 224.348 1.556 20 0 BDADRP [NH3+]CC1(O)CC[NH+](Cc2cccc(F)c2)CC1 ZINC000335107294 181361261 /nfs/dbraw/zinc/36/12/61/181361261.db2.gz CGWZECAPZNOQFK-UHFFFAOYSA-N 2 0 238.306 1.111 20 0 BDADRP C[C@H]1OCC[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000134027735 364383753 /nfs/dbraw/zinc/38/37/53/364383753.db2.gz CDCMRYPNLWFVII-MNOVXSKESA-N 2 0 200.326 1.095 20 0 BDADRP COC[C@@H](C)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000580514359 364776792 /nfs/dbraw/zinc/77/67/92/364776792.db2.gz NPXYLMYZZFUHDW-QWHCGFSZSA-N 2 0 228.380 1.685 20 0 BDADRP [NH3+]CCC1CC[NH+](C[C@H]2CCCC[C@@H]2O)CC1 ZINC000328141557 364811448 /nfs/dbraw/zinc/81/14/48/364811448.db2.gz BCGJEYXIOMUPIC-KGLIPLIRSA-N 2 0 240.391 1.598 20 0 BDADRP C[C@H](O)[C@@H]1CCCN(CC[NH2+]C(C)(C)C)C1 ZINC000573425807 364829004 /nfs/dbraw/zinc/82/90/04/364829004.db2.gz BKSVYKBTJIZAIV-NWDGAFQWSA-N 2 0 228.380 1.467 20 0 BDADRP CC1(C)OCC[C@H]1[NH2+]CCCCn1ccnc1 ZINC000328370970 364841048 /nfs/dbraw/zinc/84/10/48/364841048.db2.gz IPIASZHZMCZLOH-GFCCVEGCSA-N 2 0 237.347 1.820 20 0 BDADRP [NH3+]CCCC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000262459194 181371419 /nfs/dbraw/zinc/37/14/19/181371419.db2.gz LXXLYMXLRIRLPP-UHFFFAOYSA-N 2 0 249.358 1.103 20 0 BDADRP CC[C@H]1[NH2+]CC[C@@H]1c1nc(C2([NH3+])CCC2)no1 ZINC000573800889 364917969 /nfs/dbraw/zinc/91/79/69/364917969.db2.gz DDAHAYRWIRRRKB-DTWKUNHWSA-N 2 0 236.319 1.263 20 0 BDADRP CC[C@H]1[NH2+]CC[C@H]1c1nc(C2([NH3+])CCC2)no1 ZINC000573800891 364918003 /nfs/dbraw/zinc/91/80/03/364918003.db2.gz DDAHAYRWIRRRKB-RKDXNWHRSA-N 2 0 236.319 1.263 20 0 BDADRP [NH3+]C1(c2noc([C@@H]3C[C@]34CC[NH2+]C4)n2)CCCC1 ZINC000573681879 364891199 /nfs/dbraw/zinc/89/11/99/364891199.db2.gz AKQPXXOXIJJBLQ-CABZTGNLSA-N 2 0 248.330 1.265 20 0 BDADRP CC[NH2+]Cc1ccccc1NC(=O)[C@@H](C)C[NH3+] ZINC000573834042 364927106 /nfs/dbraw/zinc/92/71/06/364927106.db2.gz QNVCUXNVAQONDM-JTQLQIEISA-N 2 0 235.331 1.329 20 0 BDADRP C(C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)[C@H]1CCCO1 ZINC000335011689 541418908 /nfs/dbraw/zinc/41/89/08/541418908.db2.gz XDYGYCZRKIBIQC-KGLIPLIRSA-N 2 0 238.375 1.631 20 0 BDADRP [NH3+]CCCCNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000357787995 181377827 /nfs/dbraw/zinc/37/78/27/181377827.db2.gz HVYPCCSORPNLEU-RYUDHWBXSA-N 2 0 241.379 1.139 20 0 BDADRP Cc1cnc(CC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])nc1 ZINC000574031723 364971435 /nfs/dbraw/zinc/97/14/35/364971435.db2.gz RJPMXKQRUAPCER-CHWSQXEVSA-N 2 0 248.374 1.577 20 0 BDADRP C[C@H]([NH2+]CC1(O)CCCC1)C1=CC[N@H+](C)CC1 ZINC000574073451 364982619 /nfs/dbraw/zinc/98/26/19/364982619.db2.gz DLAFBZXHFDJPOZ-LBPRGKRZSA-N 2 0 238.375 1.532 20 0 BDADRP [NH3+]CCCN1CC[NH+](CCc2ccccc2)CC1 ZINC000019933740 181381552 /nfs/dbraw/zinc/38/15/52/181381552.db2.gz BYWNGDQKHIDJIT-UHFFFAOYSA-N 2 0 247.386 1.196 20 0 BDADRP C[C@H]([NH2+]Cc1cnc(N)s1)[C@H]1CCC[NH2+]C1 ZINC000574276947 365026224 /nfs/dbraw/zinc/02/62/24/365026224.db2.gz KKVIKLPKVKMFSJ-IUCAKERBSA-N 2 0 240.376 1.033 20 0 BDADRP CC[NH2+]Cc1ccccc1NC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000191987304 365219908 /nfs/dbraw/zinc/21/99/08/365219908.db2.gz HGBDALOKLQFSFZ-MNOVXSKESA-N 2 0 249.358 1.718 20 0 BDADRP CC(C)[C@@H]([NH2+]CCCN1CC[NH2+]CC1)C1CC1 ZINC000575172905 365227372 /nfs/dbraw/zinc/22/73/72/365227372.db2.gz TYNJXZUHGVORKD-CQSZACIVSA-N 2 0 239.407 1.306 20 0 BDADRP C[C@@H]1CN(c2ccnc(N(C)C)n2)[C@@H](C)C[N@@H+]1C ZINC000443502030 193021820 /nfs/dbraw/zinc/02/18/20/193021820.db2.gz QNQUOYZULFPZCW-MNOVXSKESA-N 2 0 249.362 1.071 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](CO)C1CCCCC1 ZINC000579580777 366887422 /nfs/dbraw/zinc/88/74/22/366887422.db2.gz IDZNNYSHGURHLP-DMDPSCGWSA-N 2 0 228.380 1.643 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCCC[C@@H]1O ZINC000379889467 365338594 /nfs/dbraw/zinc/33/85/94/365338594.db2.gz ZPMVCNVVMSGOSS-WOPDTQHZSA-N 2 0 214.353 1.397 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)CC[NH2+]C(C)C)c1 ZINC000575972910 365429600 /nfs/dbraw/zinc/42/96/00/365429600.db2.gz HGSBFWVADJVFLN-UHFFFAOYSA-N 2 0 249.358 1.733 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(C(C)(C)C)C1=O ZINC000576041194 365459855 /nfs/dbraw/zinc/45/98/55/365459855.db2.gz TZXVAOGBQTUQIF-GHMZBOCLSA-N 2 0 241.379 1.103 20 0 BDADRP CCCC[C@H](COC)[NH2+]CC1CC[NH2+]CC1 ZINC000579701116 366982587 /nfs/dbraw/zinc/98/25/87/366982587.db2.gz CVXGLMIMDJBYGV-CYBMUJFWSA-N 2 0 228.380 1.781 20 0 BDADRP [NH3+]CC1CCC([NH2+]CC[C@H]2CCC[NH2+]2)CC1 ZINC000579931668 367088031 /nfs/dbraw/zinc/08/80/31/367088031.db2.gz CKCUMFOKVAVKIL-OTTFEQOBSA-N 3 0 225.380 1.236 20 0 BDADRP C=Cn1cc(CNC[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000194352253 367281063 /nfs/dbraw/zinc/28/10/63/367281063.db2.gz IHPXYGSWIZPYBJ-GFCCVEGCSA-N 2 0 234.347 1.415 20 0 BDADRP Cc1ccc(CC[NH2+][C@H]2CCC[C@@H]2C[NH3+])cn1 ZINC000581185351 367286504 /nfs/dbraw/zinc/28/65/04/367286504.db2.gz XCKJZDMSOQYMGU-KGLIPLIRSA-N 2 0 233.359 1.650 20 0 BDADRP Cc1ncc(C[NH2+]Cc2cccc(CO)c2)n1C ZINC000581440300 367473535 /nfs/dbraw/zinc/47/35/35/367473535.db2.gz CIYLFBNVXLFBMZ-UHFFFAOYSA-N 2 0 245.326 1.511 20 0 BDADRP COCCCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000381617393 367439149 /nfs/dbraw/zinc/43/91/49/367439149.db2.gz WGKLZMFFRHOQCP-BETUJISGSA-N 2 0 226.364 1.344 20 0 BDADRP CC(C)OCCC[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000381714345 367449781 /nfs/dbraw/zinc/44/97/81/367449781.db2.gz KUZNSFLEVBFAAE-LBPRGKRZSA-N 2 0 214.353 1.472 20 0 BDADRP C(C[NH2+]C1CC1)C[NH2+]C1CCSCC1 ZINC000382561469 367540193 /nfs/dbraw/zinc/54/01/93/367540193.db2.gz VAADNJWNUOXLFR-UHFFFAOYSA-N 2 0 214.378 1.614 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCC[NH2+]C2CC2)[C@@H](C)O1 ZINC000382577961 367543914 /nfs/dbraw/zinc/54/39/14/367543914.db2.gz CLNAGVNMCMLRTP-CKYFFXLPSA-N 2 0 212.337 1.284 20 0 BDADRP C[NH2+]CCSCC[C@@H]1CCC[NH2+]C1 ZINC000382650715 367550645 /nfs/dbraw/zinc/55/06/45/367550645.db2.gz YQKXNNARHWCROT-JTQLQIEISA-N 2 0 202.367 1.329 20 0 BDADRP Cc1ccc(CCC[N@H+](C)CCC[NH3+])cn1 ZINC000581488610 367519211 /nfs/dbraw/zinc/51/92/11/367519211.db2.gz QIHOOEYYQVMLNC-UHFFFAOYSA-N 2 0 221.348 1.603 20 0 BDADRP C[C@H](O)[C@@H]1CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000581489208 367520160 /nfs/dbraw/zinc/52/01/60/367520160.db2.gz PJBQJACLSLIDAG-XQQFMLRXSA-N 2 0 226.364 1.079 20 0 BDADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@H](C)CC1 ZINC000581613087 367634205 /nfs/dbraw/zinc/63/42/05/367634205.db2.gz QZUZEFKHISEELV-NWDGAFQWSA-N 2 0 214.353 1.079 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCCC2)[C@@H](C)O1 ZINC000384571685 367702077 /nfs/dbraw/zinc/70/20/77/367702077.db2.gz JGQSUQBRFCIFGU-JHJVBQTASA-N 2 0 226.364 1.628 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCCSC1 ZINC000384112823 367672285 /nfs/dbraw/zinc/67/22/85/367672285.db2.gz HUGZLWFXDNIPHO-MNOVXSKESA-N 2 0 216.394 1.847 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@H](C)CCCC[NH3+] ZINC000384385702 367687922 /nfs/dbraw/zinc/68/79/22/367687922.db2.gz MEIYNOMNBLMGAY-VXGBXAGGSA-N 2 0 216.369 1.502 20 0 BDADRP C[N@H+](CCc1ccc2c(c1)CCO2)C1CC([NH3+])C1 ZINC000384858384 367744363 /nfs/dbraw/zinc/74/43/63/367744363.db2.gz CXXGSZUWBSOORO-UHFFFAOYSA-N 2 0 246.354 1.586 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000384861439 367746655 /nfs/dbraw/zinc/74/66/55/367746655.db2.gz DMGQNJMQGYZUIE-WRWGMCAJSA-N 2 0 214.353 1.482 20 0 BDADRP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000384928424 367760665 /nfs/dbraw/zinc/76/06/65/367760665.db2.gz SAUCFQCVIQKJKZ-UPJWGTAASA-N 2 0 240.391 1.752 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)[C@@H](C)O1 ZINC000385224286 367810942 /nfs/dbraw/zinc/81/09/42/367810942.db2.gz SXHNDPGLPRQNQY-POQQGIQPSA-N 2 0 238.375 1.769 20 0 BDADRP CCC(C)(C)[C@H](C)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000581878690 367865584 /nfs/dbraw/zinc/86/55/84/367865584.db2.gz BDAUSNZCGVFYFY-NWDGAFQWSA-N 2 0 228.380 1.779 20 0 BDADRP CCC(C)(C)[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000581878689 367865970 /nfs/dbraw/zinc/86/59/70/367865970.db2.gz BDAUSNZCGVFYFY-NEPJUHHUSA-N 2 0 228.380 1.779 20 0 BDADRP CC(C)(CO)CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000385881915 367873834 /nfs/dbraw/zinc/87/38/34/367873834.db2.gz LIBFHZMJZWYCPI-GHMZBOCLSA-N 2 0 214.353 1.255 20 0 BDADRP C[C@H]([NH2+]CCCn1ccnc1)[C@@H]1CCCC[NH2+]1 ZINC000386018219 367898760 /nfs/dbraw/zinc/89/87/60/367898760.db2.gz ODGGMAOKXXUTDQ-STQMWFEESA-N 2 0 236.363 1.393 20 0 BDADRP C[C@H](NCCC[NH+](C)C)[C@@H]1CCCC[NH2+]1 ZINC000386552035 367989819 /nfs/dbraw/zinc/98/98/19/367989819.db2.gz HCOUWFYXWLYUTF-RYUDHWBXSA-N 2 0 213.369 1.058 20 0 BDADRP C[C@H]1C[C@@H](C(=O)NC(C)(C)CCC[NH3+])CC[NH2+]1 ZINC000566252310 326024567 /nfs/dbraw/zinc/02/45/67/326024567.db2.gz ZXUZZDPJIUQPQK-QWRGUYRKSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCCOC1)[C@@H]1CCCC[NH2+]1 ZINC000386504054 367981590 /nfs/dbraw/zinc/98/15/90/367981590.db2.gz WDKOPOCBQHBDJH-XQQFMLRXSA-N 2 0 226.364 1.533 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H](CC)[C@@H](C)O)CC1 ZINC000386772062 368021232 /nfs/dbraw/zinc/02/12/32/368021232.db2.gz KNVVSEQLQVZCHE-DGCLKSJQSA-N 2 0 228.380 1.610 20 0 BDADRP [NH3+]CCN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000037039674 368268854 /nfs/dbraw/zinc/26/88/54/368268854.db2.gz XFYPAISEZASUMJ-UHFFFAOYSA-N 2 0 239.407 1.533 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCc2ccccn2)C1 ZINC000086401856 368879020 /nfs/dbraw/zinc/87/90/20/368879020.db2.gz YEAISPSFPMKMBW-DGCLKSJQSA-N 2 0 219.332 1.484 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCC(F)(F)F)C1 ZINC000086404101 368880133 /nfs/dbraw/zinc/88/01/33/368880133.db2.gz IGXXCVZVMMIRID-JGVFFNPUSA-N 2 0 210.243 1.798 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](NCCC[NH+]2CCCC2)C1 ZINC000086402318 368880169 /nfs/dbraw/zinc/88/01/69/368880169.db2.gz GEUWIUCEQLKVGE-OLZOCXBDSA-N 2 0 225.380 1.332 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCN2CCCCC2)C1 ZINC000086403683 368880208 /nfs/dbraw/zinc/88/02/08/368880208.db2.gz JBSXVYPGKVWMEN-QWHCGFSZSA-N 2 0 225.380 1.332 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)CCO1 ZINC000623657229 368998178 /nfs/dbraw/zinc/99/81/78/368998178.db2.gz LSWQXAYDKFHDEC-MCIONIFRSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)[C@@H](C)O1 ZINC000623657136 368998185 /nfs/dbraw/zinc/99/81/85/368998185.db2.gz KIPXFXNWIXXATD-SYQHCUMBSA-N 2 0 240.391 1.874 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)CO1 ZINC000623657772 368999827 /nfs/dbraw/zinc/99/98/27/368999827.db2.gz YRGAZRNQCVHIRL-MELADBBJSA-N 2 0 240.391 1.875 20 0 BDADRP [NH3+][C@H]1CCCCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000631831777 369015080 /nfs/dbraw/zinc/01/50/80/369015080.db2.gz ONLKGKSNIGLPMT-OLZOCXBDSA-N 2 0 225.380 1.189 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000631826871 368989619 /nfs/dbraw/zinc/98/96/19/368989619.db2.gz YUKJKAZQJVDPAS-QWHCGFSZSA-N 2 0 238.375 1.487 20 0 BDADRP C[N@@H+]1CCCC[C@@H](C[NH2+][C@H]2CCOC2)C1 ZINC000623655775 368991367 /nfs/dbraw/zinc/99/13/67/368991367.db2.gz FCVCHOGWKOABFT-RYUDHWBXSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@@H]1CCCC[NH+](C)C1 ZINC000623655870 368991431 /nfs/dbraw/zinc/99/14/31/368991431.db2.gz HUQJDWARACYUHJ-RDBSUJKOSA-N 2 0 239.407 1.258 20 0 BDADRP Cn1cccc1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623656594 368993148 /nfs/dbraw/zinc/99/31/48/368993148.db2.gz XYDFNPNPXTVMRH-ZDUSSCGKSA-N 2 0 235.375 1.847 20 0 BDADRP C[NH+]1CCC(NC[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000623656178 368993366 /nfs/dbraw/zinc/99/33/66/368993366.db2.gz OQEXLSZGIQGPHZ-ZDUSSCGKSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@@H](O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000459395648 203272843 /nfs/dbraw/zinc/27/28/43/203272843.db2.gz BIOQTTJBFYCJEW-AGIUHOORSA-N 2 0 240.391 1.610 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC2(CCO)CC2)C1 ZINC000156735751 326241152 /nfs/dbraw/zinc/24/11/52/326241152.db2.gz JCHJREHFLYAOLI-MNOVXSKESA-N 2 0 212.337 1.009 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1C[NH3+] ZINC000631840760 369311648 /nfs/dbraw/zinc/31/16/48/369311648.db2.gz VGJMSUJULZLNQX-ZYHUDNBSSA-N 2 0 205.305 1.108 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+]CC[C@@H]2CCOC2)C1 ZINC000459724302 203342600 /nfs/dbraw/zinc/34/26/00/203342600.db2.gz ALLLOZSGJHVWKI-ZIAGYGMSSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@H]1C[C@@H]([NH3+])CN1CCc1noc2ccccc21 ZINC000631862076 369474800 /nfs/dbraw/zinc/47/48/00/369474800.db2.gz LBINYFDVJVYGLQ-WDEREUQCSA-N 2 0 245.326 1.792 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)CCO1 ZINC000459736635 203347264 /nfs/dbraw/zinc/34/72/64/203347264.db2.gz QCSREBZNIGJZRA-HZSPNIEDSA-N 2 0 240.391 1.875 20 0 BDADRP COC1CC([NH2+]CC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000459795385 203373108 /nfs/dbraw/zinc/37/31/08/203373108.db2.gz VFATZFBTAQGHHJ-HIFPTAJRSA-N 2 0 226.364 1.485 20 0 BDADRP Cc1ccncc1CN1C[C@H]([NH3+])C[C@H]1C ZINC000631862651 369573026 /nfs/dbraw/zinc/57/30/26/369573026.db2.gz RWKVIGNYRAYPGM-ZYHUDNBSSA-N 2 0 205.305 1.312 20 0 BDADRP CSCC[C@@H](C)[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000252687782 370115578 /nfs/dbraw/zinc/11/55/78/370115578.db2.gz MHYJDWZOSZXQEO-MNOVXSKESA-N 2 0 216.394 1.669 20 0 BDADRP Cc1nn(C)cc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252851223 370137026 /nfs/dbraw/zinc/13/70/26/370137026.db2.gz HZOTVWLTQGAIMA-UBHSHLNASA-N 2 0 248.374 1.288 20 0 BDADRP Cc1noc(C)c1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252879104 370138469 /nfs/dbraw/zinc/13/84/69/370138469.db2.gz XPJKLPCOWUGVSN-UBHSHLNASA-N 2 0 249.358 1.851 20 0 BDADRP CCn1cc(CC[NH2+][C@H](CN)C(C)(C)C)cn1 ZINC000621776413 370518776 /nfs/dbraw/zinc/51/87/76/370518776.db2.gz KRBFVUOEMRHVRN-GFCCVEGCSA-N 2 0 238.379 1.409 20 0 BDADRP CC[C@H]1C[N@H+](Cc2ccnc(C)c2)CC[C@H]1[NH3+] ZINC000621775349 370523138 /nfs/dbraw/zinc/52/31/38/370523138.db2.gz MQCPAHIKBWKTGK-UONOGXRCSA-N 2 0 233.359 1.949 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000631044815 371030337 /nfs/dbraw/zinc/03/03/37/371030337.db2.gz OAYWXXHDEJXCDH-LBPRGKRZSA-N 2 0 235.331 1.219 20 0 BDADRP Cc1ccc(C)c(C[NH2+]CCN2CC[C@@H](O)C2)c1 ZINC000623757365 371083445 /nfs/dbraw/zinc/08/34/45/371083445.db2.gz URHIKEBGESBPHP-OAHLLOKOSA-N 2 0 248.370 1.460 20 0 BDADRP O[C@@H]1CCN(CC[NH2+]CC2CCCCC2)C1 ZINC000623757241 371083971 /nfs/dbraw/zinc/08/39/71/371083971.db2.gz QVWJXDCUNLMYKV-CYBMUJFWSA-N 2 0 226.364 1.223 20 0 BDADRP C[N@@H+]1CCC[C@H]1CN[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000623786536 371092891 /nfs/dbraw/zinc/09/28/91/371092891.db2.gz WMABSQNIQCQQLA-RDBSUJKOSA-N 2 0 237.391 1.297 20 0 BDADRP Nc1cc(CN2CCC[C@H]3C[NH2+]CC[C@H]32)ccn1 ZINC000631891092 371131461 /nfs/dbraw/zinc/13/14/61/371131461.db2.gz VXJMHPZIIACAMA-QWHCGFSZSA-N 2 0 246.358 1.068 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@H]2CCCCO2)C1 ZINC000623867091 371133816 /nfs/dbraw/zinc/13/38/16/371133816.db2.gz QQJQFOGHRXIEGW-MGPQQGTHSA-N 2 0 240.391 1.875 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CCSC)[C@H](C)C1 ZINC000154756449 371159007 /nfs/dbraw/zinc/15/90/07/371159007.db2.gz KWWOFWUPDSJOMM-MNOVXSKESA-N 2 0 216.394 1.669 20 0 BDADRP C[NH+](C)CCCC[NH2+]Cc1[nH]nc2ccccc21 ZINC000390293447 371193503 /nfs/dbraw/zinc/19/35/03/371193503.db2.gz PYCKAHLFRNDOLJ-UHFFFAOYSA-N 2 0 246.358 1.994 20 0 BDADRP CO[C@H]1C[C@H]([NH2+]C2CC[NH+](C(C)C)CC2)C1 ZINC000624297164 371462311 /nfs/dbraw/zinc/46/23/11/371462311.db2.gz RJMASTKMVXSSRM-JOCQHMNTSA-N 2 0 226.364 1.626 20 0 BDADRP CO[C@H]1C[C@H]([NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000624297791 371463523 /nfs/dbraw/zinc/46/35/23/371463523.db2.gz FTKIMDYVAZGGAF-RAIGVLPGSA-N 2 0 226.364 1.484 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000624309722 371471990 /nfs/dbraw/zinc/47/19/90/371471990.db2.gz VSHOBXMDMRYZMB-SGMGOOAPSA-N 2 0 240.391 1.731 20 0 BDADRP C[NH2+]CCCN1C[C@H](C[NH3+])Cc2ccccc21 ZINC000631894018 371597691 /nfs/dbraw/zinc/59/76/91/371597691.db2.gz IAJLUIQSCIKAOF-LBPRGKRZSA-N 2 0 233.359 1.234 20 0 BDADRP NC[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000573075967 326428281 /nfs/dbraw/zinc/42/82/81/326428281.db2.gz SYJMLXRLEKPOTF-GXTWGEPZSA-N 2 0 239.407 1.483 20 0 BDADRP CCc1ccc(C[NH2+]CCc2cncn2C)o1 ZINC000401813538 371821971 /nfs/dbraw/zinc/82/19/71/371821971.db2.gz VWDXJXJRDPZTBT-UHFFFAOYSA-N 2 0 233.315 1.908 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H]2CCO[C@@H]2C)C1 ZINC000631823671 372587330 /nfs/dbraw/zinc/58/73/30/372587330.db2.gz KVZDCBNOLPCBEC-QCNOEVLYSA-N 2 0 212.337 1.081 20 0 BDADRP CC[NH2+]CC1CC[NH+](C[C@@H]2CCO[C@H]2C)CC1 ZINC000631821897 372597508 /nfs/dbraw/zinc/59/75/08/372597508.db2.gz MJWLGZJAHISKQY-JSGCOSHPSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000631827672 372607842 /nfs/dbraw/zinc/60/78/42/372607842.db2.gz UHOLKMFNFISUIP-MELADBBJSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@H]1OCC[C@H]1C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000631828885 372610335 /nfs/dbraw/zinc/61/03/35/372610335.db2.gz AVLKNNBJXCLRNI-WRWGMCAJSA-N 2 0 212.337 1.271 20 0 BDADRP N[C@H]1CCCCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000631835085 372621250 /nfs/dbraw/zinc/62/12/50/372621250.db2.gz MBGFYLNQYAKIIX-OLZOCXBDSA-N 2 0 225.380 1.189 20 0 BDADRP CC1([NH3+])CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000631824816 372603969 /nfs/dbraw/zinc/60/39/69/372603969.db2.gz QXXZMIOIDLLNMI-LLVKDONJSA-N 2 0 212.337 1.369 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000631825478 372604193 /nfs/dbraw/zinc/60/41/93/372604193.db2.gz JZEIIXHJZPQYJK-SDDRHHMPSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000631826400 372605368 /nfs/dbraw/zinc/60/53/68/372605368.db2.gz MMQQCWBYTCLTFW-YNEHKIRRSA-N 2 0 226.364 1.615 20 0 BDADRP C(CC1CCC1)[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631867714 372667009 /nfs/dbraw/zinc/66/70/09/372667009.db2.gz ZSVUEWGAXRWGHS-OLZOCXBDSA-N 2 0 208.349 1.908 20 0 BDADRP Cn1cc(CC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cn1 ZINC000631888882 372685278 /nfs/dbraw/zinc/68/52/78/372685278.db2.gz CRMWDLCVQMZUCA-UONOGXRCSA-N 2 0 248.374 1.037 20 0 BDADRP CC(C)COCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631890899 372687021 /nfs/dbraw/zinc/68/70/21/372687021.db2.gz ULAQVZPTWJLAMY-KGLIPLIRSA-N 2 0 240.391 1.733 20 0 BDADRP [NH3+]C[C@H]1Cc2ccccc2N(C[C@H]2CC[NH2+]C2)C1 ZINC000631892507 372688884 /nfs/dbraw/zinc/68/88/84/372688884.db2.gz KZYRDNREKBZXNH-QWHCGFSZSA-N 2 0 245.370 1.234 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000453380754 205803127 /nfs/dbraw/zinc/80/31/27/205803127.db2.gz RFFNKVPHQKLESH-XJFOESAGSA-N 2 0 240.391 1.467 20 0 BDADRP COc1ccncc1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000381179670 373970754 /nfs/dbraw/zinc/97/07/54/373970754.db2.gz IUXJHQVJFCFZHV-LLVKDONJSA-N 2 0 249.358 1.649 20 0 BDADRP [NH3+]C1(c2noc([C@@H](F)[C@@H]3CC[NH2+]C3)n2)CCC1 ZINC000634556025 374314227 /nfs/dbraw/zinc/31/42/27/374314227.db2.gz CHGBLUHUFCSHRQ-SFYZADRCSA-N 2 0 240.282 1.028 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CC12CC2 ZINC000424328851 206037177 /nfs/dbraw/zinc/03/71/77/206037177.db2.gz RACFKRABAYWVRL-WYUUTHIRSA-N 2 0 208.349 1.857 20 0 BDADRP CC[C@H]1C[N@H+](CCc2cncn2C)CCCO1 ZINC000459426275 206126341 /nfs/dbraw/zinc/12/63/41/206126341.db2.gz DGVJWVQLNQVKTP-ZDUSSCGKSA-N 2 0 237.347 1.464 20 0 BDADRP C[C@@H](CC[NH3+])[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000220531966 134309896 /nfs/dbraw/zinc/30/98/96/134309896.db2.gz XHJVMNKEUFYHBZ-VIFPVBQESA-N 2 0 218.304 1.390 20 0 BDADRP OC1(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CCC1 ZINC000336711316 183019069 /nfs/dbraw/zinc/01/90/69/183019069.db2.gz LZVXKKAWVWOWPK-ZDUSSCGKSA-N 2 0 238.375 1.319 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]1CC[NH2+][C@@H]1CC ZINC000353170247 169002841 /nfs/dbraw/zinc/00/28/41/169002841.db2.gz ARGSKCJEFQHGSO-GRYCIOLGSA-N 2 0 241.379 1.008 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)N[C@H](C)C[NH+](CC)CC ZINC000041680188 169007439 /nfs/dbraw/zinc/00/74/39/169007439.db2.gz JYERMPZODSGSJB-NEPJUHHUSA-N 2 0 243.395 1.350 20 0 BDADRP OCC[C@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000359217384 183098160 /nfs/dbraw/zinc/09/81/60/183098160.db2.gz KRKJNMPKOLTSHE-CYBMUJFWSA-N 2 0 226.364 1.080 20 0 BDADRP OC[C@H]1CCCC[N@H+](CCC[NH+]2CCCC2)C1 ZINC000372885863 183146255 /nfs/dbraw/zinc/14/62/55/183146255.db2.gz WSXFNLNVDHHMIO-AWEZNQCLSA-N 2 0 240.391 1.567 20 0 BDADRP CCC[N@H+](C)CC(=O)N(CC)CCC[NH+](C)C ZINC000338895149 169065823 /nfs/dbraw/zinc/06/58/23/169065823.db2.gz NCJWDHRINHUALT-UHFFFAOYSA-N 2 0 243.395 1.128 20 0 BDADRP CCC[N@H+](CCC(=O)OCC)C1CC[NH2+]CC1 ZINC000042430817 169139762 /nfs/dbraw/zinc/13/97/62/169139762.db2.gz OQVKOIMIOLOKTM-UHFFFAOYSA-N 2 0 242.363 1.404 20 0 BDADRP CCC[N@H+](CC[C@H]1CCC[NH+]1C)CC(C)(C)O ZINC000336712192 169171270 /nfs/dbraw/zinc/17/12/70/169171270.db2.gz OAJUWLNKQSGAPL-CYBMUJFWSA-N 2 0 242.407 1.954 20 0 BDADRP CCC[NH+]1CCC(NCCC[NH+](C)C)CC1 ZINC000019958212 169187980 /nfs/dbraw/zinc/18/79/80/169187980.db2.gz RIXCWPNTSVGASL-UHFFFAOYSA-N 2 0 227.396 1.402 20 0 BDADRP CCC[NH+]1CCC(N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000093210644 169189143 /nfs/dbraw/zinc/18/91/43/169189143.db2.gz HYNKZMJBJZAVPH-OCCSQVGLSA-N 2 0 239.407 1.720 20 0 BDADRP CCC[NH+]1CCC(N[C@@H]2CCC[NH2+]C2)CC1 ZINC000043325039 169189294 /nfs/dbraw/zinc/18/92/94/169189294.db2.gz AYENFEQBXXXHGK-CYBMUJFWSA-N 2 0 225.380 1.202 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H]2C[C@H](O)C2(C)C)CC1 ZINC000129223325 169189543 /nfs/dbraw/zinc/18/95/43/169189543.db2.gz UUMWCLIHJGMBGR-OLZOCXBDSA-N 2 0 240.391 1.610 20 0 BDADRP CCC[NH+]1CCC(N[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000341898835 169190413 /nfs/dbraw/zinc/19/04/13/169190413.db2.gz UQNGRWHXWDTIPQ-OCCSQVGLSA-N 2 0 239.407 1.401 20 0 BDADRP CCC[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000360621897 169194971 /nfs/dbraw/zinc/19/49/71/169194971.db2.gz TWBPIFOKPUHUCL-CQSZACIVSA-N 2 0 239.407 1.356 20 0 BDADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C2CCC(O)CC2)C1 ZINC000353518655 169207098 /nfs/dbraw/zinc/20/70/98/169207098.db2.gz LIZIVGJJDVZBCQ-HSBZDZAISA-N 2 0 240.391 1.611 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@H]2C[C@H]2C)C1 ZINC000336764430 169209021 /nfs/dbraw/zinc/20/90/21/169209021.db2.gz PXSSUWJPSMANDS-JHJVBQTASA-N 2 0 210.365 1.964 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCOC2(C)C)C1 ZINC000340205432 169209454 /nfs/dbraw/zinc/20/94/54/169209454.db2.gz XLRPLHCBTBMFGD-OLZOCXBDSA-N 2 0 240.391 1.875 20 0 BDADRP CCC[NH2+]CCNC(=O)[C@H](CC)[NH+](CC)CC ZINC000338226588 169259374 /nfs/dbraw/zinc/25/93/74/169259374.db2.gz IAWWPVPIKVCCQN-LBPRGKRZSA-N 2 0 243.395 1.223 20 0 BDADRP CCC[C@@H](CCO)C[NH2+][C@@H](C)CCC[NH3+] ZINC000308814361 169382839 /nfs/dbraw/zinc/38/28/39/169382839.db2.gz ICROGUOJQSDOJR-RYUDHWBXSA-N 2 0 216.369 1.502 20 0 BDADRP CCC[C@@H](CCO)C[NH2+][C@H](C)CCC[NH3+] ZINC000308814359 169383062 /nfs/dbraw/zinc/38/30/62/169383062.db2.gz ICROGUOJQSDOJR-NEPJUHHUSA-N 2 0 216.369 1.502 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000222568445 134332818 /nfs/dbraw/zinc/33/28/18/134332818.db2.gz ZOFMIKFPLXVOGC-RWMBFGLXSA-N 2 0 228.380 1.467 20 0 BDADRP C([NH2+][C@H]1CCN2CCCC[C@@H]12)[C@@H]1CCSC1 ZINC000224340850 134345748 /nfs/dbraw/zinc/34/57/48/134345748.db2.gz XFOYTAQJZRRXSL-AVGNSLFASA-N 2 0 240.416 1.956 20 0 BDADRP CO[C@@H](C[NH2+]CC1(C)CC[NH+](C)CC1)C1CC1 ZINC000400185420 383842731 /nfs/dbraw/zinc/84/27/31/383842731.db2.gz UBGQENDCHQPQFI-ZDUSSCGKSA-N 2 0 240.391 1.733 20 0 BDADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)CCC[NH3+] ZINC000237078172 383865875 /nfs/dbraw/zinc/86/58/75/383865875.db2.gz IADPLDAGVSEJIS-LBPRGKRZSA-N 2 0 241.379 1.058 20 0 BDADRP CO[C@@H](C[NH2+]C[C@H](C)C[NH+]1CCCC1)C1CC1 ZINC000400190174 383867303 /nfs/dbraw/zinc/86/73/03/383867303.db2.gz WCYXKMYEFKYLKA-JSGCOSHPSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]C[C@H]1CCCO1 ZINC000251271505 383881291 /nfs/dbraw/zinc/88/12/91/383881291.db2.gz XSGQKRSWJLWIOO-IJLUTSLNSA-N 2 0 212.337 1.286 20 0 BDADRP CC(C)[C@H](c1nc([C@@H]2CCC[NH2+]2)no1)[C@H](C)[NH3+] ZINC000647144017 383832781 /nfs/dbraw/zinc/83/27/81/383832781.db2.gz JQIBPGJBLBTFQB-GUBZILKMSA-N 2 0 238.335 1.581 20 0 BDADRP C[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000336420612 383834909 /nfs/dbraw/zinc/83/49/09/383834909.db2.gz WPWOAJWJVJIADI-SMDDNHRTSA-N 2 0 238.375 1.770 20 0 BDADRP C(C[C@@H]1CC[NH2+]C1)c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000647148181 383892313 /nfs/dbraw/zinc/89/23/13/383892313.db2.gz IOEPVZSVXAPXCV-ZJUUUORDSA-N 2 0 236.319 1.036 20 0 BDADRP CCCN1CCC[C@H]1C[NH2+][C@@H]1CO[C@H](C)C1 ZINC000647210989 383901581 /nfs/dbraw/zinc/90/15/81/383901581.db2.gz LZRQWIGEAOZDQU-AGIUHOORSA-N 2 0 226.364 1.628 20 0 BDADRP CC[C@@]1(C)CC[N@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000518547197 383996622 /nfs/dbraw/zinc/99/66/22/383996622.db2.gz YDTZXNKERHOTQT-RYUDHWBXSA-N 2 0 214.353 1.079 20 0 BDADRP CC1(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CC1 ZINC000564969783 383974812 /nfs/dbraw/zinc/97/48/12/383974812.db2.gz DSXCKSLBCAIOOJ-OLZOCXBDSA-N 2 0 238.375 1.615 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@H]1CO[C@H](C)C1 ZINC000401787178 384004103 /nfs/dbraw/zinc/00/41/03/384004103.db2.gz LMTMTZNFLNGVDF-VXGBXAGGSA-N 2 0 214.353 1.484 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]CCC2=CC[NH2+]CC2)C1 ZINC000643545620 384015143 /nfs/dbraw/zinc/01/51/43/384015143.db2.gz PBGFOGRCYKRASD-UONOGXRCSA-N 2 0 238.375 1.843 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643548699 384038801 /nfs/dbraw/zinc/03/88/01/384038801.db2.gz TZQLFBLLBLFZLF-CHWSQXEVSA-N 3 0 239.407 1.768 20 0 BDADRP CC[C@H](C[N@@H+]1CCC[C@@H](n2ccnc2)C1)OC ZINC000642685199 384060148 /nfs/dbraw/zinc/06/01/48/384060148.db2.gz IZDQFPLGAPNTTR-CHWSQXEVSA-N 2 0 237.347 1.945 20 0 BDADRP COC[C@H](C)[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000090668894 384068038 /nfs/dbraw/zinc/06/80/38/384068038.db2.gz BPWPXVCUWKYTLK-HIFPTAJRSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@@H]1[C@@H](C)[N@H+](C)CCN1CC[NH+]1CCCCC1 ZINC000335895732 384093579 /nfs/dbraw/zinc/09/35/79/384093579.db2.gz AUKUHRFBZLPBRW-ZIAGYGMSSA-N 2 0 239.407 1.497 20 0 BDADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CCC[NH2+]C ZINC000394307626 384175159 /nfs/dbraw/zinc/17/51/59/384175159.db2.gz WPZJWNBNIQFBSY-OLZOCXBDSA-N 2 0 225.380 1.155 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)CCC[NH3+])C[NH+]1CCCCC1 ZINC000310403437 384160464 /nfs/dbraw/zinc/16/04/64/384160464.db2.gz NQTKBZDUKILNGI-KGLIPLIRSA-N 3 0 241.423 1.825 20 0 BDADRP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCN(CCCO)C1 ZINC000449394017 384162854 /nfs/dbraw/zinc/16/28/54/384162854.db2.gz DLLQLQMVTVNDSK-RDBSUJKOSA-N 2 0 240.391 1.611 20 0 BDADRP CC(C)(CCCO)C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000227921478 134399978 /nfs/dbraw/zinc/39/99/78/134399978.db2.gz PCRZBOLIOBUEMB-NEPJUHHUSA-N 2 0 228.380 1.502 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCC(F)(F)F)C[C@H]21 ZINC000228474052 384258027 /nfs/dbraw/zinc/25/80/27/384258027.db2.gz MSRUTIOSCBMISJ-IVZWLZJFSA-N 2 0 236.281 1.998 20 0 BDADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCCOC)C1 ZINC000174219510 384306630 /nfs/dbraw/zinc/30/66/30/384306630.db2.gz NIFMGLIZMHVNQO-CYBMUJFWSA-N 2 0 228.380 1.687 20 0 BDADRP CCC[C@H]1C[N@H+](CCn2ccnc2)CCO1 ZINC000133732475 384311525 /nfs/dbraw/zinc/31/15/25/384311525.db2.gz YVGTVZXNWNYTRN-LBPRGKRZSA-N 2 0 223.320 1.384 20 0 BDADRP C[C@@H]1[C@H](C)[NH2+]CCN1Cc1cnc2ccccn12 ZINC000647509522 384341883 /nfs/dbraw/zinc/34/18/83/384341883.db2.gz LCGKRLYIILNLMH-NWDGAFQWSA-N 2 0 244.342 1.517 20 0 BDADRP C[C@H](O)CCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000300372919 384359641 /nfs/dbraw/zinc/35/96/41/384359641.db2.gz XNKMSFVYEFTWKH-WOPDTQHZSA-N 2 0 214.353 1.220 20 0 BDADRP CO[C@H](C[NH2+][C@@H](C)CCCC[NH3+])C(C)C ZINC000362978311 384331373 /nfs/dbraw/zinc/33/13/73/384331373.db2.gz YXKFMSJNELEXKV-NWDGAFQWSA-N 2 0 216.369 1.765 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+]C2CC([NH+](C)C)C2)CCO1 ZINC000521369961 384426189 /nfs/dbraw/zinc/42/61/89/384426189.db2.gz JEVKKWYLERXGEI-RYSNWHEDSA-N 2 0 240.391 1.872 20 0 BDADRP Cc1nnsc1CN[C@H]1C[C@H]([NH3+])C1(C)C ZINC000405517057 384399678 /nfs/dbraw/zinc/39/96/78/384399678.db2.gz URKBAHNRXLLSDM-IUCAKERBSA-N 2 0 226.349 1.062 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCO[C@@H]1C ZINC000096033399 384423985 /nfs/dbraw/zinc/42/39/85/384423985.db2.gz SXUCXWPDDGONGB-VXGBXAGGSA-N 2 0 214.353 1.485 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cccs1 ZINC000084218135 384377439 /nfs/dbraw/zinc/37/74/39/384377439.db2.gz VCYVXUYKJXNTMY-KOLCDFICSA-N 2 0 210.346 1.965 20 0 BDADRP C[C@H]([NH2+][C@H]1CCn2ccnc2C1)C1CC1 ZINC000335607902 384386828 /nfs/dbraw/zinc/38/68/28/384386828.db2.gz OICDEXCOKNFPJU-ONGXEEELSA-N 2 0 205.305 1.586 20 0 BDADRP C[C@]1(C[N@@H+]2CCC[C@@H](CCO)C2)CC[NH2+]C1 ZINC000647515913 384462030 /nfs/dbraw/zinc/46/20/30/384462030.db2.gz ZTZLPFHYKMVAOP-STQMWFEESA-N 2 0 226.364 1.080 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)C[C@H]2CC[NH2+]C2)cc1 ZINC000648146611 384490039 /nfs/dbraw/zinc/49/00/39/384490039.db2.gz SVMHGIVEOSKLND-GFCCVEGCSA-N 2 0 247.342 1.344 20 0 BDADRP C[C@@H]([NH2+]CCC[NH3+])c1ccc(F)c(F)c1 ZINC000037713314 384513054 /nfs/dbraw/zinc/51/30/54/384513054.db2.gz CSQYPRJTUDSDPS-MRVPVSSYSA-N 2 0 214.259 1.964 20 0 BDADRP C[C@H]([NH2+]CCCC[NH3+])c1cccc(O)c1 ZINC000037714928 384513960 /nfs/dbraw/zinc/51/39/60/384513960.db2.gz FALXIASKOYWSHA-JTQLQIEISA-N 2 0 208.305 1.782 20 0 BDADRP [NH3+][C@H]1CCCN([C@@H]2CCCSC2)C1 ZINC000061590673 384520716 /nfs/dbraw/zinc/52/07/16/384520716.db2.gz PTPCHCLMAWZAIG-VHSXEESVSA-N 2 0 200.351 1.305 20 0 BDADRP C[C@H]1CCN(c2ccnc(C3CC3)n2)C[C@H]1C[NH3+] ZINC000643052226 384554199 /nfs/dbraw/zinc/55/41/99/384554199.db2.gz GQAZJRZIVYBCQX-CMPLNLGQSA-N 2 0 246.358 1.775 20 0 BDADRP CC[N@H+](CC[C@@H]1CC[NH2+]C1)C[C@H]1CCOC1 ZINC000643056837 384558110 /nfs/dbraw/zinc/55/81/10/384558110.db2.gz ZDBYVPUTSRMIOG-QWHCGFSZSA-N 2 0 226.364 1.344 20 0 BDADRP C[C@H]1C[C@H]([N@H+](C)CCCF)CCN1C ZINC000151374804 384567902 /nfs/dbraw/zinc/56/79/02/384567902.db2.gz MMVKDWRESAMAER-WDEREUQCSA-N 2 0 202.317 1.761 20 0 BDADRP C[C@@H]1C[C@@H]([N@H+](C)CCCF)CCN1C ZINC000151374855 384568027 /nfs/dbraw/zinc/56/80/27/384568027.db2.gz MMVKDWRESAMAER-MNOVXSKESA-N 2 0 202.317 1.761 20 0 BDADRP Cc1nnsc1CN[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000309785680 384609164 /nfs/dbraw/zinc/60/91/64/384609164.db2.gz SMCKBGYYVPUGIS-WPRPVWTQSA-N 2 0 240.376 1.276 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@](C)(O)C2CC2)CC[N@@H+]1C ZINC000309792772 384612902 /nfs/dbraw/zinc/61/29/02/384612902.db2.gz UTHBUSOUNKPSOE-RTXFEEFZSA-N 2 0 226.364 1.220 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)c1 ZINC000647671879 384671316 /nfs/dbraw/zinc/67/13/16/384671316.db2.gz XVCCROYOFKVDIP-RTXFEEFZSA-N 2 0 245.326 1.095 20 0 BDADRP CC(C)C[C@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000336654881 384641212 /nfs/dbraw/zinc/64/12/12/384641212.db2.gz GXUXKWNTORAQQY-LBPRGKRZSA-N 2 0 228.380 1.467 20 0 BDADRP CC(C)(C)[NH2+]CCN1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000647534626 384646118 /nfs/dbraw/zinc/64/61/18/384646118.db2.gz SATGSQAQFUWTEY-VXGBXAGGSA-N 2 0 225.380 1.058 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000647534573 384647224 /nfs/dbraw/zinc/64/72/24/384647224.db2.gz QTDQJLLARJKGMS-AGIUHOORSA-N 2 0 225.380 1.044 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000647537015 384655247 /nfs/dbraw/zinc/65/52/47/384655247.db2.gz AEVHZAQEVJXPFF-ZIAGYGMSSA-N 2 0 239.407 1.435 20 0 BDADRP CC(C)OCCC[NH2+]C1CCC([NH3+])CC1 ZINC000086725723 384677747 /nfs/dbraw/zinc/67/77/47/384677747.db2.gz AUSWTBIXQWTSIU-UHFFFAOYSA-N 2 0 214.353 1.661 20 0 BDADRP CCN1CCC([NH2+][C@H]2CO[C@H](C)C2)CC1 ZINC000335424665 384708622 /nfs/dbraw/zinc/70/86/22/384708622.db2.gz GLTNCYRMIYWLQK-ZYHUDNBSSA-N 2 0 212.337 1.238 20 0 BDADRP COC1(C[NH2+]C[C@@H](C)C[NH3+])CCCC1 ZINC000308515635 384777678 /nfs/dbraw/zinc/77/76/78/384777678.db2.gz NKOLYPVUUVSIAS-JTQLQIEISA-N 2 0 200.326 1.130 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCc2ccncc2)C1 ZINC000173891950 384731484 /nfs/dbraw/zinc/73/14/84/384731484.db2.gz JCKBDXFKGDVBCU-HNNXBMFYSA-N 2 0 247.386 1.898 20 0 BDADRP Nc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cn1 ZINC000647546618 384732587 /nfs/dbraw/zinc/73/25/87/384732587.db2.gz RZGOXJCRAFEFEO-VXGBXAGGSA-N 2 0 234.347 1.101 20 0 BDADRP C[C@@H]([NH3+])c1ccc(CN[C@@H]2C[NH2+]C[C@@H](C)C2)cc1 ZINC000647546721 384732913 /nfs/dbraw/zinc/73/29/13/384732913.db2.gz XOXBOCDKPCDYNX-ZOWXZIJZSA-N 2 0 247.386 1.794 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]CC[C@@H](C)O)CC1 ZINC000082992877 384734910 /nfs/dbraw/zinc/73/49/10/384734910.db2.gz JLAPSYWDJYPEHE-LLVKDONJSA-N 2 0 214.353 1.220 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC[NH2+]1 ZINC000647547391 384735612 /nfs/dbraw/zinc/73/56/12/384735612.db2.gz UYJVFNKWXRAVIW-MBJXGIAVSA-N 3 0 237.391 1.105 20 0 BDADRP [NH3+]Cc1ccc(N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647547362 384737135 /nfs/dbraw/zinc/73/71/35/384737135.db2.gz TYHWXKFZFTUENS-VNHYZAJKSA-N 2 0 245.370 1.945 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647547972 384749874 /nfs/dbraw/zinc/74/98/74/384749874.db2.gz PVEMUZNETBMGDM-FDYHWXHSSA-N 3 0 225.380 1.092 20 0 BDADRP C(C[NH2+]C1CC1)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647547731 384750232 /nfs/dbraw/zinc/75/02/32/384750232.db2.gz ATUPVBFUWCKZCY-SGMGOOAPSA-N 3 0 237.391 1.106 20 0 BDADRP C1[NH2+]C[C@@H]2C[C@H]([NH2+][C@H]3CCCC[NH2+]C3)CC[C@@H]12 ZINC000647548185 384750674 /nfs/dbraw/zinc/75/06/74/384750674.db2.gz XZFBANQLQCKPNT-FQUUOJAGSA-N 3 0 237.391 1.106 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000647551773 384754264 /nfs/dbraw/zinc/75/42/64/384754264.db2.gz KHBZULBVDWRVBE-OLZOCXBDSA-N 2 0 224.348 1.097 20 0 BDADRP Cc1ccncc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000163388382 384755131 /nfs/dbraw/zinc/75/51/31/384755131.db2.gz LAXLFGMSEYMUOV-CHWSQXEVSA-N 2 0 233.359 1.807 20 0 BDADRP C[NH+](C)C1CCC([NH2+]Cc2ccc(N)nc2)CC1 ZINC000647552041 384758299 /nfs/dbraw/zinc/75/82/99/384758299.db2.gz BKEGCDHPJSMBLC-UHFFFAOYSA-N 2 0 248.374 1.457 20 0 BDADRP C[C@H]1C[NH2+]C[C@@H](NCc2ccc(C[NH3+])cc2)C1 ZINC000647553164 384768481 /nfs/dbraw/zinc/76/84/81/384768481.db2.gz FSGSNZPUHZKORM-RISCZKNCSA-N 2 0 233.359 1.233 20 0 BDADRP C[C@@]1(C[NH2+]CCOCc2ccccc2)CC[NH2+]C1 ZINC000390028422 384823612 /nfs/dbraw/zinc/82/36/12/384823612.db2.gz WKXXISKZOYJZFN-OAHLLOKOSA-N 2 0 248.370 1.792 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)C1(C)C ZINC000310100027 384831596 /nfs/dbraw/zinc/83/15/96/384831596.db2.gz BBLJPVKBPHAGGU-YNEHKIRRSA-N 2 0 242.407 1.977 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1cnccc1N ZINC000423358593 384832541 /nfs/dbraw/zinc/83/25/41/384832541.db2.gz BWUNWJBSYKKCDH-DCAQKATOSA-N 2 0 234.347 1.415 20 0 BDADRP C[C@H](C[NH3+])C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000054343708 384835180 /nfs/dbraw/zinc/83/51/80/384835180.db2.gz PTJJULDGNNUNKS-DGCLKSJQSA-N 2 0 249.358 1.000 20 0 BDADRP C[C@@H]([NH2+][C@H]1CSC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000306621579 384786909 /nfs/dbraw/zinc/78/69/09/384786909.db2.gz VYXGLHMQLKNAIT-DBIOUOCHSA-N 2 0 214.378 1.468 20 0 BDADRP Cn1ccc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000126372651 384794860 /nfs/dbraw/zinc/79/48/60/384794860.db2.gz SIAFUAWUGSZIKD-KBPBESRZSA-N 2 0 235.375 1.988 20 0 BDADRP Cn1ccc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000126372420 384795077 /nfs/dbraw/zinc/79/50/77/384795077.db2.gz SIAFUAWUGSZIKD-KGLIPLIRSA-N 2 0 235.375 1.988 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+]C[C@@H]1CC[C@H](C)O1 ZINC000398102156 384804779 /nfs/dbraw/zinc/80/47/79/384804779.db2.gz XUVKQNNEPAYJPZ-SRVKXCTJSA-N 2 0 214.353 1.517 20 0 BDADRP CCCC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000115548897 384805613 /nfs/dbraw/zinc/80/56/13/384805613.db2.gz ZPCGYIXQVUKZNU-UHFFFAOYSA-N 2 0 228.380 1.565 20 0 BDADRP Cc1nc(CN2C[C@@H](C[NH3+])C[C@@H]2C)cs1 ZINC000126789309 384805665 /nfs/dbraw/zinc/80/56/65/384805665.db2.gz UQMIXDYUALXXMX-WCBMZHEXSA-N 2 0 225.361 1.621 20 0 BDADRP Cn1cccc1C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000175013547 384859983 /nfs/dbraw/zinc/85/99/83/384859983.db2.gz CGLURJJKFRSILV-OLZOCXBDSA-N 2 0 235.375 1.988 20 0 BDADRP C[NH+]1CCC(CC[NH2+]Cc2cscn2)CC1 ZINC000105454215 384867455 /nfs/dbraw/zinc/86/74/55/384867455.db2.gz ORWFXLOXYNWPSP-UHFFFAOYSA-N 2 0 239.388 1.965 20 0 BDADRP Cc1ccc(CNC[C@@H]2C[NH2+]CCN2C)cc1C ZINC000258957684 384955709 /nfs/dbraw/zinc/95/57/09/384955709.db2.gz RLGKMFRCYPIZNQ-HNNXBMFYSA-N 2 0 247.386 1.297 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCc1ccccc1F ZINC000258953135 384956441 /nfs/dbraw/zinc/95/64/41/384956441.db2.gz KNYLTUWTFGWWIL-STQMWFEESA-N 2 0 222.307 1.838 20 0 BDADRP Cn1ccc(C[NH2+]CC(C)(C)C[NH+](C)C)c1 ZINC000085589837 384957251 /nfs/dbraw/zinc/95/72/51/384957251.db2.gz QRZRDFSNRGZGMR-UHFFFAOYSA-N 2 0 223.364 1.703 20 0 BDADRP Cc1[nH]nc2ncc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cc12 ZINC000566230124 384957654 /nfs/dbraw/zinc/95/76/54/384957654.db2.gz JPEPAMMZICUYIB-DTWKUNHWSA-N 2 0 247.346 1.482 20 0 BDADRP C[C@H]([NH2+][C@H]1CC12CC2)C1CC[NH+](C)CC1 ZINC000643907538 384931339 /nfs/dbraw/zinc/93/13/39/384931339.db2.gz RTTJJISXQQUVTG-JQWIXIFHSA-N 2 0 208.349 1.859 20 0 BDADRP COc1ccc(C[NH2+]C[C@@H](C)C[NH3+])cc1F ZINC000258713444 384932611 /nfs/dbraw/zinc/93/26/11/384932611.db2.gz ICFPKWMCDHVREI-VIFPVBQESA-N 2 0 226.295 1.519 20 0 BDADRP C[C@@H]([NH3+])CCNc1cc(N2CCCC2)ncn1 ZINC000258635196 384937272 /nfs/dbraw/zinc/93/72/72/384937272.db2.gz LBLGGCYYYHTPAU-SNVBAGLBSA-N 2 0 235.335 1.226 20 0 BDADRP C[NH2+]CCC[NH2+]Cc1ccc2c(c1)ncn2C ZINC000258796535 384943550 /nfs/dbraw/zinc/94/35/50/384943550.db2.gz QRORRKRFNTZEPY-UHFFFAOYSA-N 2 0 232.331 1.272 20 0 BDADRP C[C@@H](O)[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000566230502 384964873 /nfs/dbraw/zinc/96/48/73/384964873.db2.gz HVQIVWQHFIMPOO-YPMHNXCESA-N 2 0 226.364 1.079 20 0 BDADRP Cc1c(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cnn1C ZINC000226305816 384968735 /nfs/dbraw/zinc/96/87/35/384968735.db2.gz JWERTSAQBZOYCD-DGCLKSJQSA-N 2 0 236.363 1.336 20 0 BDADRP CCC[NH+]1CCC([NH2+]CCCF)CC1 ZINC000088024733 384969738 /nfs/dbraw/zinc/96/97/38/384969738.db2.gz JFAWWZXHGCLYJT-UHFFFAOYSA-N 2 0 202.317 1.810 20 0 BDADRP CCCC[NH+]1CCC(NC(=O)CCC[NH3+])CC1 ZINC000037005038 384987121 /nfs/dbraw/zinc/98/71/21/384987121.db2.gz HGLAACOBBYABJB-UHFFFAOYSA-N 2 0 241.379 1.106 20 0 BDADRP CC[C@@H](O)C[NH2+]C[C@H]1CC[N@H+](CC(C)C)C1 ZINC000644588780 384991701 /nfs/dbraw/zinc/99/17/01/384991701.db2.gz UFEXGGTVMBMSQI-CHWSQXEVSA-N 2 0 228.380 1.325 20 0 BDADRP COc1ccc(CN2CC[C@](C)(C[NH3+])C2)cn1 ZINC000310095648 385008312 /nfs/dbraw/zinc/00/83/12/385008312.db2.gz UZRAPCWLPKPVFC-CYBMUJFWSA-N 2 0 235.331 1.261 20 0 BDADRP CO[C@@H](C)C[N@H+](C[C@@H]1CCC[NH2+]C1)C(C)C ZINC000226438849 385021038 /nfs/dbraw/zinc/02/10/38/385021038.db2.gz PCZDBOYFENGHLZ-QWHCGFSZSA-N 2 0 228.380 1.731 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCc1ccccc1 ZINC000404789844 385062472 /nfs/dbraw/zinc/06/24/72/385062472.db2.gz QVDRLMAACBDANJ-CHWSQXEVSA-N 2 0 218.344 1.945 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccns2)CC1 ZINC000404509347 385024831 /nfs/dbraw/zinc/02/48/31/385024831.db2.gz PAMPLQNMBGWRJQ-VIFPVBQESA-N 2 0 225.361 1.702 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CCC1CC[NH+](C)CC1 ZINC000310568825 385121766 /nfs/dbraw/zinc/12/17/66/385121766.db2.gz YONNXHFZNIFQRY-ZDUSSCGKSA-N 3 0 241.423 1.825 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cncs1 ZINC000131427843 385086606 /nfs/dbraw/zinc/08/66/06/385086606.db2.gz SWDVSIKVSCQOBH-MWLCHTKSSA-N 2 0 225.361 1.750 20 0 BDADRP CC[NH+](CC)CC1(C[NH+](CC)CC)COC1 ZINC000157443488 385181169 /nfs/dbraw/zinc/18/11/69/385181169.db2.gz FGGJZOHHQXDVMG-UHFFFAOYSA-N 2 0 228.380 1.687 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CCO)CC[N@@H+]1C ZINC000178161856 385193987 /nfs/dbraw/zinc/19/39/87/385193987.db2.gz DAJXDVBFFRSIQM-NEPJUHHUSA-N 2 0 228.380 1.467 20 0 BDADRP CCN(CC)C[C@@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422708362 385194602 /nfs/dbraw/zinc/19/46/02/385194602.db2.gz BUKZIBQJNZYMSX-IYXRBSQSSA-N 2 0 241.423 1.824 20 0 BDADRP CC(C)([NH3+])CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647479562 385155811 /nfs/dbraw/zinc/15/58/11/385155811.db2.gz LLVFPWRHRQAMBJ-VXGBXAGGSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000305141382 385200370 /nfs/dbraw/zinc/20/03/70/385200370.db2.gz QFOXEDJOIHQZHU-PDWCTOEPSA-N 2 0 242.407 1.712 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422721903 385200504 /nfs/dbraw/zinc/20/05/04/385200504.db2.gz WJSWXUZADPCWGN-HZSPNIEDSA-N 2 0 241.423 1.694 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCCOC3)C2)C1 ZINC000644784222 385168141 /nfs/dbraw/zinc/16/81/41/385168141.db2.gz WKKJNCGJSSBYPI-CHWSQXEVSA-N 2 0 224.348 1.193 20 0 BDADRP CCCCOCC[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000404916709 385172623 /nfs/dbraw/zinc/17/26/23/385172623.db2.gz WOTPBDGGABEBAW-MNOVXSKESA-N 2 0 214.353 1.519 20 0 BDADRP C[C@@H]([NH2+]C1CCSCC1)[C@H]1CCC[NH2+]1 ZINC000306712920 385174272 /nfs/dbraw/zinc/17/42/72/385174272.db2.gz AEKTYWMBTLLEHD-MWLCHTKSSA-N 2 0 214.378 1.612 20 0 BDADRP CC[C@@H](O)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000643349607 385181025 /nfs/dbraw/zinc/18/10/25/385181025.db2.gz GXWOLIPVXNJJLB-CYBMUJFWSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000308860084 385222493 /nfs/dbraw/zinc/22/24/93/385222493.db2.gz PBPJJBWTVOEANP-NWDGAFQWSA-N 3 0 215.385 1.434 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@@H]1CCn2ccnc21 ZINC000294155687 385228446 /nfs/dbraw/zinc/22/84/46/385228446.db2.gz QKSHXZILPLHEGY-LLVKDONJSA-N 2 0 222.336 1.259 20 0 BDADRP CCc1ccc(CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000359326168 385231413 /nfs/dbraw/zinc/23/14/13/385231413.db2.gz WZPRHYYPFSEPKD-IYBDPMFKSA-N 2 0 244.382 1.943 20 0 BDADRP COCC[C@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000045018352 385234382 /nfs/dbraw/zinc/23/43/82/385234382.db2.gz DFVHZUPZPYHQCO-LBPRGKRZSA-N 2 0 214.353 1.487 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCS[C@@H](C(C)C)C1 ZINC000308873846 385237394 /nfs/dbraw/zinc/23/73/94/385237394.db2.gz MASBQCMWIMWXME-LLVKDONJSA-N 2 0 216.394 1.669 20 0 BDADRP CC[C@@H](C[NH2+]C1CC[NH+](CC)CC1)OC ZINC000308960589 385314852 /nfs/dbraw/zinc/31/48/52/385314852.db2.gz GBDABMIASWPEJT-LBPRGKRZSA-N 2 0 214.353 1.485 20 0 BDADRP CC(C)[C@H](C(=O)Nc1ccc(C[NH3+])cc1)[NH+](C)C ZINC000131231942 385319771 /nfs/dbraw/zinc/31/97/71/385319771.db2.gz IXHWJKHHZYPHBQ-CYBMUJFWSA-N 2 0 249.358 1.670 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)[C@H]2CCCC[NH2+]2)cc1 ZINC000131206251 385319930 /nfs/dbraw/zinc/31/99/30/385319930.db2.gz AXUYVLJDKWHRLB-GFCCVEGCSA-N 2 0 233.315 1.226 20 0 BDADRP C[NH+](C)Cc1cccc(C(=O)NCCCC[NH3+])c1 ZINC000237038049 385258974 /nfs/dbraw/zinc/25/89/74/385258974.db2.gz UDVDWHBHXZYNBH-UHFFFAOYSA-N 2 0 249.358 1.217 20 0 BDADRP Cc1ccc(CCC[NH2+][C@H](C)CO)cn1 ZINC000309006011 385356745 /nfs/dbraw/zinc/35/67/45/385356745.db2.gz PURXLNYUSFPNLX-LLVKDONJSA-N 2 0 208.305 1.293 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCCO ZINC000179149422 385368504 /nfs/dbraw/zinc/36/85/04/385368504.db2.gz FOFKWJUHVFXLEF-IJLUTSLNSA-N 2 0 214.353 1.077 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCCCO ZINC000179149198 385369836 /nfs/dbraw/zinc/36/98/36/385369836.db2.gz JBAVDQDLACSSRB-AGIUHOORSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CCOCC1CC1 ZINC000309020494 385374901 /nfs/dbraw/zinc/37/49/01/385374901.db2.gz UIVHNGSRSKVHDC-NSHDSACASA-N 2 0 214.353 1.520 20 0 BDADRP C[C@H]([NH2+]CCCC[NH+](C)C)[C@@H]1CCCO1 ZINC000309031285 385378592 /nfs/dbraw/zinc/37/85/92/385378592.db2.gz BTZLTQXNNAANBC-RYUDHWBXSA-N 2 0 214.353 1.485 20 0 BDADRP C[N@@H+]1C[C@H]2CCN(CC[NH+]3CCCCC3)[C@H]2C1 ZINC000644736609 385387079 /nfs/dbraw/zinc/38/70/79/385387079.db2.gz OHVOVXHMZAVVEM-KGLIPLIRSA-N 2 0 237.391 1.108 20 0 BDADRP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)CN(C)C ZINC000168781142 385387672 /nfs/dbraw/zinc/38/76/72/385387672.db2.gz GVODUZPAWGEGQO-RYUDHWBXSA-N 2 0 236.359 1.863 20 0 BDADRP CO[C@@H](C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000400168274 385327508 /nfs/dbraw/zinc/32/75/08/385327508.db2.gz MCXUCKVLLWXSAE-RISCZKNCSA-N 2 0 238.375 1.485 20 0 BDADRP Cc1ccc([C@H](CNC(=O)[C@@H](C)[NH3+])[NH+](C)C)cc1 ZINC000165625108 385404152 /nfs/dbraw/zinc/40/41/52/385404152.db2.gz SETDXFRYBQXMMR-YPMHNXCESA-N 2 0 249.358 1.061 20 0 BDADRP CC[C@@H]1C[N@H+](Cc2c(C)n[nH]c2C)CC[C@H]1[NH3+] ZINC000647498208 385415388 /nfs/dbraw/zinc/41/53/88/385415388.db2.gz CPAZUZDFDUGZEU-DGCLKSJQSA-N 2 0 236.363 1.586 20 0 BDADRP C[C@@]1(CN2CCSCC2)CC[NH2+]C1 ZINC000062911004 385438983 /nfs/dbraw/zinc/43/89/83/385438983.db2.gz WUBCEVOYOGRSGM-SNVBAGLBSA-N 2 0 200.351 1.035 20 0 BDADRP CCC[C@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000309235284 385490722 /nfs/dbraw/zinc/49/07/22/385490722.db2.gz XKCDFLOIWFNLRF-NSHDSACASA-N 2 0 214.353 1.221 20 0 BDADRP COC[C@@]1(C[NH2+][C@H](C)CC(C)C)CCC[NH2+]1 ZINC000309267479 385504027 /nfs/dbraw/zinc/50/40/27/385504027.db2.gz CZLFIEUQIUWXRG-OLZOCXBDSA-N 2 0 228.380 1.779 20 0 BDADRP C[C@H]1CN(c2cc(NC3CC3)ncn2)CC[C@@H]1[NH3+] ZINC000643009779 385506615 /nfs/dbraw/zinc/50/66/15/385506615.db2.gz KSFHHRXFJDFMSQ-ONGXEEELSA-N 2 0 247.346 1.224 20 0 BDADRP CC[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)OC ZINC000309333883 385536720 /nfs/dbraw/zinc/53/67/20/385536720.db2.gz JSBCADISTXRFTC-UMSGYPCISA-N 2 0 228.380 1.730 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CCC[NH+]1CCCC1 ZINC000309352162 385543376 /nfs/dbraw/zinc/54/33/76/385543376.db2.gz MRVAEKUYHPHECI-ZDUSSCGKSA-N 3 0 227.396 1.579 20 0 BDADRP CC1(C)C[NH2+][C@@H]1C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000644138990 385520694 /nfs/dbraw/zinc/52/06/94/385520694.db2.gz AKIGSHKZYIFQDO-GFCCVEGCSA-N 2 0 245.326 1.226 20 0 BDADRP CCN(CC[NH2+][C@H]1CN(C)C[C@@H]1C)C1CC1 ZINC000309493203 385614426 /nfs/dbraw/zinc/61/44/26/385614426.db2.gz XSHOKEULVPPQDY-AAEUAGOBSA-N 2 0 225.380 1.010 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC2CCOCC2)C1 ZINC000082645563 385627283 /nfs/dbraw/zinc/62/72/83/385627283.db2.gz HZUHCUBNNLRXTF-YPMHNXCESA-N 2 0 226.364 1.472 20 0 BDADRP CC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000336724096 385611836 /nfs/dbraw/zinc/61/18/36/385611836.db2.gz BAIVNXGAASJQIW-WUHRBBMRSA-N 2 0 226.364 1.220 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+]CCCc1ccc(C)nc1 ZINC000414854491 385695654 /nfs/dbraw/zinc/69/56/54/385695654.db2.gz VBSFSYYARAQYNO-LBPRGKRZSA-N 2 0 235.375 1.768 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC000336687581 385705030 /nfs/dbraw/zinc/70/50/30/385705030.db2.gz GMWBTHSRNICHHQ-QWRGUYRKSA-N 2 0 243.395 1.397 20 0 BDADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@@H]1CCOC1 ZINC000309580873 385714290 /nfs/dbraw/zinc/71/42/90/385714290.db2.gz QIGUBWUTYQDRQN-DGCLKSJQSA-N 2 0 224.348 1.263 20 0 BDADRP CC[C@@H](COC)[NH2+][C@H](C)CCCC[NH3+] ZINC000336692511 385733817 /nfs/dbraw/zinc/73/38/17/385733817.db2.gz QPCMIZCCUANCBI-MNOVXSKESA-N 2 0 202.342 1.519 20 0 BDADRP CC(C)[C@H]1CCC[N@@H+]1C[C@H](O)CN(C)C1CC1 ZINC000336692309 385734233 /nfs/dbraw/zinc/73/42/33/385734233.db2.gz HTLSNIJTGRWRGB-ZIAGYGMSSA-N 2 0 240.391 1.562 20 0 BDADRP CC[C@H](COC)[NH2+][C@H](C)CCCC[NH3+] ZINC000336692509 385734666 /nfs/dbraw/zinc/73/46/66/385734666.db2.gz QPCMIZCCUANCBI-GHMZBOCLSA-N 2 0 202.342 1.519 20 0 BDADRP C[C@H]([NH2+]CCO)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185763851 385734878 /nfs/dbraw/zinc/73/48/78/385734878.db2.gz CEPUASABVJAJSO-NWDGAFQWSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CCCN1C ZINC000336699829 385757311 /nfs/dbraw/zinc/75/73/11/385757311.db2.gz OYBDHCWRMSAYON-NWDGAFQWSA-N 2 0 213.369 1.188 20 0 BDADRP COc1cc(C)nc(CN[C@H]2CCC[NH2+]C2)c1 ZINC000414863369 385759262 /nfs/dbraw/zinc/75/92/62/385759262.db2.gz IOKSGJWZXKWZQB-NSHDSACASA-N 2 0 235.331 1.240 20 0 BDADRP CCN(CC[NH2+][C@@H](C)CCC[NH3+])C1CC1 ZINC000336655842 385766419 /nfs/dbraw/zinc/76/64/19/385766419.db2.gz ABGQRYVPXDYMLN-NSHDSACASA-N 2 0 213.369 1.188 20 0 BDADRP C[NH+](C)CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000309648206 385768360 /nfs/dbraw/zinc/76/83/60/385768360.db2.gz MZPKXGUHUDYNGI-XQQFMLRXSA-N 2 0 225.380 1.010 20 0 BDADRP CO[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000309665072 385776861 /nfs/dbraw/zinc/77/68/61/385776861.db2.gz SXJQCWPLRJPNCF-FDYHWXHSSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCC(C)(F)F ZINC000394867176 385806338 /nfs/dbraw/zinc/80/63/38/385806338.db2.gz DCSRVYIDGBWYKE-VHSXEESVSA-N 2 0 220.307 1.962 20 0 BDADRP Nc1ccc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000262536194 385857461 /nfs/dbraw/zinc/85/74/61/385857461.db2.gz BASIZRPMWXHPNI-DTWKUNHWSA-N 2 0 234.303 1.120 20 0 BDADRP CC[N@H+](CCCn1ccnc1)CCOC ZINC000271898526 385858094 /nfs/dbraw/zinc/85/80/94/385858094.db2.gz GHFBQJRZLRNGLJ-UHFFFAOYSA-N 2 0 211.309 1.242 20 0 BDADRP C[C@H]1C[C@@H](NC2CC[NH+](C)CC2)C[N@@H+]1C1CC1 ZINC000128576742 385835491 /nfs/dbraw/zinc/83/54/91/385835491.db2.gz YPVXAYLRRFTJQM-WCQYABFASA-N 2 0 237.391 1.295 20 0 BDADRP C[C@@H](C[NH3+])N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000414944201 385789371 /nfs/dbraw/zinc/78/93/71/385789371.db2.gz NSMTXEWTVCRCMK-IPYPFGDCSA-N 2 0 247.386 1.444 20 0 BDADRP COC(C)(C)[C@H](C)[NH2+]C[C@H](C)C[NH+](C)C ZINC000336656872 385791037 /nfs/dbraw/zinc/79/10/37/385791037.db2.gz ANCOQNSZEHKFJB-QWRGUYRKSA-N 2 0 216.369 1.587 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)CN1CCCCC1 ZINC000336707556 385793800 /nfs/dbraw/zinc/79/38/00/385793800.db2.gz LVORLQUNATYFTJ-ZIAGYGMSSA-N 2 0 241.423 1.968 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]Cc1c[nH]nc1C(C)(C)C ZINC000414874068 385884871 /nfs/dbraw/zinc/88/48/71/385884871.db2.gz HYUVGQNSHSNJMG-VIFPVBQESA-N 2 0 224.352 1.392 20 0 BDADRP Cc1ncsc1C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000335037199 385928741 /nfs/dbraw/zinc/92/87/41/385928741.db2.gz BAALJJWNPQJGRP-KOLCDFICSA-N 2 0 239.388 1.929 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000335037660 385928809 /nfs/dbraw/zinc/92/88/09/385928809.db2.gz DCSISZRXUWAKIS-GXTWGEPZSA-N 3 0 239.407 1.306 20 0 BDADRP COC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000122184010 385892511 /nfs/dbraw/zinc/89/25/11/385892511.db2.gz RWAIRJHDUJCTKK-GHMZBOCLSA-N 2 0 214.353 1.484 20 0 BDADRP C[C@H](CN)[N@H+](C)CCCC1CC[NH2+]CC1 ZINC000647843180 385892909 /nfs/dbraw/zinc/89/29/09/385892909.db2.gz BWOYIQOWKAQGFW-LLVKDONJSA-N 2 0 213.369 1.045 20 0 BDADRP CC[NH2+][C@H](C)CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000414962852 385895254 /nfs/dbraw/zinc/89/52/54/385895254.db2.gz SNMBDFCOBWSXHE-XJFOESAGSA-N 2 0 239.407 1.495 20 0 BDADRP CC1(C)CNCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000647852233 385903080 /nfs/dbraw/zinc/90/30/80/385903080.db2.gz OQJMBCVRELYNSG-LBPRGKRZSA-N 2 0 225.380 1.060 20 0 BDADRP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@H]1CCCCO1 ZINC000308880155 385903679 /nfs/dbraw/zinc/90/36/79/385903679.db2.gz VLCJCVCNJPKBNV-NEPJUHHUSA-N 2 0 214.353 1.519 20 0 BDADRP c1cncc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c1 ZINC000414966476 385919163 /nfs/dbraw/zinc/91/91/63/385919163.db2.gz GITXAFSAENAUQM-CYBMUJFWSA-N 2 0 219.332 1.703 20 0 BDADRP Cc1nn(C(C)C)cc1C[NH2+]C[C@H](C)C[NH3+] ZINC000414877404 385921343 /nfs/dbraw/zinc/92/13/43/385921343.db2.gz MVVUERFRGOVNNA-SNVBAGLBSA-N 2 0 224.352 1.457 20 0 BDADRP Cc1ccc(O)c(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)n1 ZINC000414966877 385924110 /nfs/dbraw/zinc/92/41/10/385924110.db2.gz WQXBXNQLGAIMEH-KOLCDFICSA-N 2 0 235.331 1.183 20 0 BDADRP CC[NH2+][C@H](C)CNCc1cc(OC)cc(C)n1 ZINC000414966962 385925701 /nfs/dbraw/zinc/92/57/01/385925701.db2.gz XCLUGLSOWNJROS-LLVKDONJSA-N 2 0 237.347 1.486 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647836859 385881897 /nfs/dbraw/zinc/88/18/97/385881897.db2.gz JZDNNWFXXAZAOA-AWEZNQCLSA-N 3 0 239.407 1.308 20 0 BDADRP CC[NH+]1CCC(N[C@@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000335019227 385977645 /nfs/dbraw/zinc/97/76/45/385977645.db2.gz LUKIJDIPZXASIT-TZMCWYRMSA-N 2 0 239.407 1.448 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1NCC1([NH3+])CCC1 ZINC000335021102 385980552 /nfs/dbraw/zinc/98/05/52/385980552.db2.gz BDUWMNKCEIYAOR-WDEREUQCSA-N 2 0 211.353 1.117 20 0 BDADRP C[C@H](C[NH3+])CN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000414878168 385934576 /nfs/dbraw/zinc/93/45/76/385934576.db2.gz NXTQKIURUHKRDL-UPJWGTAASA-N 2 0 227.396 1.482 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@H](C)[C@H]1C[C@@H]1C ZINC000414060132 385936354 /nfs/dbraw/zinc/93/63/54/385936354.db2.gz JBKLKXWHORIXLA-XQQFMLRXSA-N 2 0 228.380 1.589 20 0 BDADRP C[C@H](CC[NH3+])[NH2+]Cc1cccc2c1OCO2 ZINC000414878241 385936635 /nfs/dbraw/zinc/93/66/35/385936635.db2.gz GUYMEKYTJKUCEO-SECBINFHSA-N 2 0 222.288 1.242 20 0 BDADRP Cc1ccc(CCC[NH2+]C[C@@H](C)C[NH3+])cn1 ZINC000414878635 385937261 /nfs/dbraw/zinc/93/72/61/385937261.db2.gz OMWIILVXJAEVQX-NSHDSACASA-N 2 0 221.348 1.507 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@H](C)[C@@H]1C[C@@H]1C ZINC000414060133 385937250 /nfs/dbraw/zinc/93/72/50/385937250.db2.gz JBKLKXWHORIXLA-YNEHKIRRSA-N 2 0 228.380 1.589 20 0 BDADRP CO[C@@H](C[N@@H+]1CC[C@@H](C[NH+](C)C)C1)C1CC1 ZINC000425399840 385948767 /nfs/dbraw/zinc/94/87/67/385948767.db2.gz FDGKFPTYVTURIR-AAEUAGOBSA-N 2 0 226.364 1.295 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]Cc1cccc2c[nH]nc21 ZINC000414879480 385952299 /nfs/dbraw/zinc/95/22/99/385952299.db2.gz PMKRZZWJCQRUJG-VIFPVBQESA-N 2 0 218.304 1.247 20 0 BDADRP Cc1cnn(CC[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)c1 ZINC000304326606 385953375 /nfs/dbraw/zinc/95/33/75/385953375.db2.gz CXXKEOUASYVYRY-RYUDHWBXSA-N 2 0 222.336 1.003 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@H]2CCCOC2)C1 ZINC000251475715 385954187 /nfs/dbraw/zinc/95/41/87/385954187.db2.gz FDYCDIQGHIIYFD-YNEHKIRRSA-N 2 0 226.364 1.472 20 0 BDADRP CC(C)(C)[NH+]1CCC(N[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000335056188 385956147 /nfs/dbraw/zinc/95/61/47/385956147.db2.gz CWZASFKOHPUKPO-STQMWFEESA-N 2 0 239.407 1.719 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]C[C@H]1CCCCO1 ZINC000251258771 385960465 /nfs/dbraw/zinc/96/04/65/385960465.db2.gz VUCBFOFLXBMSIT-JHJVBQTASA-N 2 0 226.364 1.676 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]1CCO ZINC000338313275 385963254 /nfs/dbraw/zinc/96/32/54/385963254.db2.gz DMRJVSDBEUKOBS-ZDUSSCGKSA-N 2 0 228.380 1.565 20 0 BDADRP Cc1cc(N)cc(C[NH2+]C[C@@]2(C)CC[NH2+]C2)c1 ZINC000414971079 385970160 /nfs/dbraw/zinc/97/01/60/385970160.db2.gz VVGLIZKZFNLXIA-AWEZNQCLSA-N 2 0 233.359 1.666 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCc2nc[nH]c2C1)[C@H]1C[C@H]1C ZINC000414124024 385971157 /nfs/dbraw/zinc/97/11/57/385971157.db2.gz CJENJKDHSLPHQY-ZNSHCXBVSA-N 2 0 219.332 1.901 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)[C@H]1C[C@H]1C ZINC000414123985 385972429 /nfs/dbraw/zinc/97/24/29/385972429.db2.gz CJENJKDHSLPHQY-DBIOUOCHSA-N 2 0 219.332 1.901 20 0 BDADRP C[C@H]([NH2+]C[C@@]1(O)CCN(C)C1)[C@H]1CC1(C)C ZINC000336750367 386003702 /nfs/dbraw/zinc/00/37/02/386003702.db2.gz USMJNFBUNCOJDG-LOWVWBTDSA-N 2 0 226.364 1.077 20 0 BDADRP COCc1cccc(C[NH2+][C@H](C)CC[NH3+])c1 ZINC000414881999 386009438 /nfs/dbraw/zinc/00/94/38/386009438.db2.gz LMVDYCQPMNUDQZ-LLVKDONJSA-N 2 0 222.332 1.660 20 0 BDADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)[C@@H]1C[C@@H]1C ZINC000414117436 386010462 /nfs/dbraw/zinc/01/04/62/386010462.db2.gz SCTNAMYOPGDZIY-REWJHTLYSA-N 2 0 242.407 1.977 20 0 BDADRP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H](C)C[NH3+])o1 ZINC000414882353 386011074 /nfs/dbraw/zinc/01/10/74/386011074.db2.gz UCNUHUOEUFDOTD-VIFPVBQESA-N 2 0 248.330 1.663 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1NCC1([NH3+])CCCCCC1 ZINC000335060711 386026456 /nfs/dbraw/zinc/02/64/56/386026456.db2.gz QQBUFYKJLPUZBH-NEPJUHHUSA-N 2 0 225.380 1.508 20 0 BDADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)CCC(C)(C)[NH3+] ZINC000647868551 386029515 /nfs/dbraw/zinc/02/95/15/386029515.db2.gz VIQJPNPWIFJSLX-LLVKDONJSA-N 2 0 243.395 1.336 20 0 BDADRP COC[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)C(C)C ZINC000414196818 386035759 /nfs/dbraw/zinc/03/57/59/386035759.db2.gz WDYXFFHACJEEEC-KBPBESRZSA-N 2 0 242.407 1.979 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@@H](C)CCOC)CC1 ZINC000414203181 386039481 /nfs/dbraw/zinc/03/94/81/386039481.db2.gz NJOTWBRJNGURMJ-LBPRGKRZSA-N 2 0 228.380 1.733 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+]C[C@H](C)C[NH3+])CCO1 ZINC000414884807 386049476 /nfs/dbraw/zinc/04/94/76/386049476.db2.gz WJCNVZZFWVJLJZ-IJLUTSLNSA-N 2 0 214.353 1.376 20 0 BDADRP [NH3+]CC1(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)CC1 ZINC000414662646 386103078 /nfs/dbraw/zinc/10/30/78/386103078.db2.gz ZLWHZOCEOBVYLV-CYBMUJFWSA-N 3 0 237.391 1.189 20 0 BDADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H](C)[NH+](C)C ZINC000345316693 386103254 /nfs/dbraw/zinc/10/32/54/386103254.db2.gz ARMXJIPBZMTSTQ-MNOVXSKESA-N 2 0 243.395 1.219 20 0 BDADRP CO[C@H](C)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000223985411 386118809 /nfs/dbraw/zinc/11/88/09/386118809.db2.gz LHOHVQBSTRCHHD-GFCCVEGCSA-N 2 0 249.358 1.675 20 0 BDADRP Cc1cccc(OCC[N@@H+](C)C[C@@H]2CC[NH2+]C2)c1 ZINC000647873424 386120608 /nfs/dbraw/zinc/12/06/08/386120608.db2.gz HSMRWAGDYLPBKI-CQSZACIVSA-N 2 0 248.370 1.915 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000638587072 386058072 /nfs/dbraw/zinc/05/80/72/386058072.db2.gz AGMLMASJRAWZNR-YIYPIFLZSA-N 2 0 222.376 1.964 20 0 BDADRP COCC[C@H](C)C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000414205996 386058770 /nfs/dbraw/zinc/05/87/70/386058770.db2.gz PPLOAJOSKVVVMT-AVGNSLFASA-N 2 0 228.380 1.589 20 0 BDADRP COCC[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000414206001 386059208 /nfs/dbraw/zinc/05/92/08/386059208.db2.gz PPLOAJOSKVVVMT-YNEHKIRRSA-N 2 0 228.380 1.589 20 0 BDADRP c1ccc(OCC[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000129195509 386062666 /nfs/dbraw/zinc/06/26/66/386062666.db2.gz NIEPVNNGUXWPAD-CYBMUJFWSA-N 2 0 234.343 1.797 20 0 BDADRP CO[C@@H](C)[C@@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000336753531 386063821 /nfs/dbraw/zinc/06/38/21/386063821.db2.gz GXPPLVZSPYUQFS-MNOVXSKESA-N 2 0 212.337 1.261 20 0 BDADRP [NH3+][C@H](C[NH2+][C@@H]1CCc2ccccc2C1)C1CC1 ZINC000414886734 386077448 /nfs/dbraw/zinc/07/74/48/386077448.db2.gz HWBPSLPCLJOUHF-HUUCEWRRSA-N 2 0 230.355 1.871 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1C[C@@H](C[NH3+])C[C@H]1C ZINC000414655165 386079779 /nfs/dbraw/zinc/07/97/79/386079779.db2.gz DAVZDRWZKHSCME-UTUOFQBUSA-N 2 0 213.369 1.029 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1C[C@H](C[NH3+])C[C@H]1C ZINC000414655168 386080060 /nfs/dbraw/zinc/08/00/60/386080060.db2.gz DAVZDRWZKHSCME-WOPDTQHZSA-N 2 0 213.369 1.029 20 0 BDADRP CC[N@@H+]1CC[C@H](NCC2([NH3+])CCC2)[C@@H](C)C1 ZINC000414887762 386094942 /nfs/dbraw/zinc/09/49/42/386094942.db2.gz ZLHIHZWLKBTVNQ-RYUDHWBXSA-N 3 0 225.380 1.188 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000414676373 386150715 /nfs/dbraw/zinc/15/07/15/386150715.db2.gz NEZXYDIWUDHEQX-CHWSQXEVSA-N 2 0 240.391 1.861 20 0 BDADRP CO[C@H](C[N@@H+]1CCC[C@H]([NH+](C)C)CC1)C1CC1 ZINC000425482438 386152257 /nfs/dbraw/zinc/15/22/57/386152257.db2.gz QSJVNYVQWBFNBO-UONOGXRCSA-N 2 0 240.391 1.828 20 0 BDADRP CC(C)C[C@H]([NH3+])C[N@@H+]1CCCC[C@@H]1CC(N)=O ZINC000414683104 386166252 /nfs/dbraw/zinc/16/62/52/386166252.db2.gz AQASNPJCKSUANA-NWDGAFQWSA-N 2 0 241.379 1.090 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CC[N@H+](C)CC1(C)C ZINC000414691371 386189168 /nfs/dbraw/zinc/18/91/68/386189168.db2.gz BKBGKRSMMYZLFV-GFCCVEGCSA-N 2 0 227.396 1.386 20 0 BDADRP C[N@H+](CC[C@H]1CCC[NH+]1C)CC1(CO)CC1 ZINC000190028365 386142254 /nfs/dbraw/zinc/14/22/54/386142254.db2.gz QAOBTHAPPRDLEH-GFCCVEGCSA-N 2 0 226.364 1.175 20 0 BDADRP C([C@@H]1CC[NH2+]C1)[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000647875053 386142776 /nfs/dbraw/zinc/14/27/76/386142776.db2.gz SYJCKDKEMWDFNJ-VXGBXAGGSA-N 2 0 224.348 1.097 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC000414998164 386202076 /nfs/dbraw/zinc/20/20/76/386202076.db2.gz HZVDDDQBATYLPF-AAVRWANBSA-N 3 0 239.407 1.482 20 0 BDADRP Cc1ncccc1C[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000414999294 386211855 /nfs/dbraw/zinc/21/18/55/386211855.db2.gz RPCNGNDCXTULNS-JSGCOSHPSA-N 2 0 233.359 1.997 20 0 BDADRP CCn1nccc1C[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414999679 386212973 /nfs/dbraw/zinc/21/29/73/386212973.db2.gz SCEWHUVJFQOFLW-NWDGAFQWSA-N 2 0 236.363 1.510 20 0 BDADRP [NH3+]CCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000414704149 386213734 /nfs/dbraw/zinc/21/37/34/386213734.db2.gz JKJIFXOMVPDFIQ-GXTWGEPZSA-N 2 0 237.391 1.284 20 0 BDADRP C[C@H]1C[C@H](C[NH2+]CC[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000414898463 386229789 /nfs/dbraw/zinc/22/97/89/386229789.db2.gz AKRQYVVYJOMHGB-YNEHKIRRSA-N 3 0 225.380 1.106 20 0 BDADRP CCS[C@H]1CC[C@@H]([N@H+](C)CCC[NH3+])C1 ZINC000414712642 386229926 /nfs/dbraw/zinc/22/99/26/386229926.db2.gz UXCMPICJZYUFFE-MNOVXSKESA-N 2 0 216.394 1.941 20 0 BDADRP C[C@H](O)CC[N@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414715018 386234885 /nfs/dbraw/zinc/23/48/85/386234885.db2.gz VZGOORIKIVZLOX-SDDRHHMPSA-N 2 0 214.353 1.077 20 0 BDADRP CC[C@@](C)(CCO)[NH2+]C[C@H]([NH3+])CC(C)C ZINC000414713856 386236575 /nfs/dbraw/zinc/23/65/75/386236575.db2.gz URYJMQRIXBKVSB-NEPJUHHUSA-N 2 0 216.369 1.501 20 0 BDADRP Cc1occc1CN1CC[C@H](C[NH+](C)C)C1 ZINC000414385346 386239891 /nfs/dbraw/zinc/23/98/91/386239891.db2.gz FEZVYFCEALJWPC-GFCCVEGCSA-N 2 0 222.332 1.972 20 0 BDADRP CCn1cc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000415002689 386241038 /nfs/dbraw/zinc/24/10/38/386241038.db2.gz WFBJCRSFGDRSSS-DGCLKSJQSA-N 2 0 236.363 1.510 20 0 BDADRP CC[C@@H]1C[C@@H](C[NH2+]C[C@H]([NH3+])C2CC2)CCO1 ZINC000414895780 386193960 /nfs/dbraw/zinc/19/39/60/386193960.db2.gz ZLLFKIDBYPMEJG-UHTWSYAYSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)CC[NH2+]1 ZINC000414698165 386199569 /nfs/dbraw/zinc/19/95/69/386199569.db2.gz IQIKNZIIQVGANB-ZOBORPQBSA-N 3 0 237.391 1.058 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@](C)(C[NH3+])C2)CC[NH2+]1 ZINC000414729354 386282149 /nfs/dbraw/zinc/28/21/49/386282149.db2.gz DXVZOFREDYAVAZ-JHJVBQTASA-N 3 0 225.380 1.045 20 0 BDADRP C[C@@H](O)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000336662284 386282427 /nfs/dbraw/zinc/28/24/27/386282427.db2.gz JBBYBZVPGOBKGE-DGCLKSJQSA-N 2 0 226.364 1.031 20 0 BDADRP C([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)[C@@H]1CC[NH2+]C1 ZINC000414900978 386288334 /nfs/dbraw/zinc/28/83/34/386288334.db2.gz FOUJEODIFJIARY-YVECIDJPSA-N 2 0 236.359 1.143 20 0 BDADRP Cc1n[nH]c(C)c1C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000335263311 386292293 /nfs/dbraw/zinc/29/22/93/386292293.db2.gz UTOJCKHDDZOWKL-NOZJJQNGSA-N 2 0 236.363 1.443 20 0 BDADRP [NH3+]C[C@H](NC[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000647988032 386293898 /nfs/dbraw/zinc/29/38/98/386293898.db2.gz HSZXIRZQNRPDDT-YPMHNXCESA-N 2 0 225.380 1.093 20 0 BDADRP c1cc([C@@H]2CCC[N@H+]2C[C@H]2CC[NH2+]C2)ccn1 ZINC000647987988 386294398 /nfs/dbraw/zinc/29/43/98/386294398.db2.gz BRAQWEUERNQMIT-JSGCOSHPSA-N 2 0 231.343 1.828 20 0 BDADRP c1cc([C@H]2CCC[N@H+]2C[C@H]2CC[NH2+]C2)ccn1 ZINC000647987987 386294526 /nfs/dbraw/zinc/29/45/26/386294526.db2.gz BRAQWEUERNQMIT-GXTWGEPZSA-N 2 0 231.343 1.828 20 0 BDADRP C[N@H+](CCCn1ccnc1)Cc1ccc(F)cn1 ZINC000276282874 386296436 /nfs/dbraw/zinc/29/64/36/386296436.db2.gz UMFOAFQDCQGWOW-UHFFFAOYSA-N 2 0 248.305 1.939 20 0 BDADRP CN(C)[C@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000091393702 386296547 /nfs/dbraw/zinc/29/65/47/386296547.db2.gz ZRHNBLGBOZTKMT-AWEZNQCLSA-N 2 0 239.407 1.402 20 0 BDADRP CN(C)[C@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000091394998 386297909 /nfs/dbraw/zinc/29/79/09/386297909.db2.gz IWSGTHNHLUFWDW-KBPBESRZSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)[C@H]1CO ZINC000414733917 386300123 /nfs/dbraw/zinc/30/01/23/386300123.db2.gz FEKCKFKGCZFGKV-LPWJVIDDSA-N 2 0 226.364 1.077 20 0 BDADRP CC(C)[NH+]1CCC([N@@H+](C)CC[C@H](C)O)CC1 ZINC000336674052 386305091 /nfs/dbraw/zinc/30/50/91/386305091.db2.gz LAVGWBWCMSZGAF-LBPRGKRZSA-N 2 0 228.380 1.562 20 0 BDADRP CC[N@@H+]1C[C@H](C)N(CC[NH2+]C(C)(C)C)C[C@H]1C ZINC000414735250 386310494 /nfs/dbraw/zinc/31/04/94/386310494.db2.gz GRFNKPJVHUFEME-OLZOCXBDSA-N 2 0 241.423 1.789 20 0 BDADRP COC(C)(C)CC[NH+]1CCC([NH+](C)C)CC1 ZINC000336670852 386315881 /nfs/dbraw/zinc/31/58/81/386315881.db2.gz YBQCGBHKKSMASX-UHFFFAOYSA-N 2 0 228.380 1.828 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H](CC[NH3+])C2)CC[NH2+]1 ZINC000414738236 386316832 /nfs/dbraw/zinc/31/68/32/386316832.db2.gz OZIVJDRQYZYFRZ-MCIONIFRSA-N 3 0 239.407 1.435 20 0 BDADRP COC1(C)CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000336680011 386320514 /nfs/dbraw/zinc/32/05/14/386320514.db2.gz DKJZKMZLBZTIID-CYBMUJFWSA-N 2 0 240.391 1.972 20 0 BDADRP CCCN(Cc1cnc(C)cn1)C1CC[NH2+]CC1 ZINC000347156948 386263998 /nfs/dbraw/zinc/26/39/98/386263998.db2.gz DRACCEZMQFAUAN-UHFFFAOYSA-N 2 0 248.374 1.749 20 0 BDADRP CC[NH+](CC)CC1CC[NH+](CCO)CC1 ZINC000336651748 386266387 /nfs/dbraw/zinc/26/63/87/386266387.db2.gz VUUAIABJPMXXBL-UHFFFAOYSA-N 2 0 214.353 1.033 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC000336656782 386274198 /nfs/dbraw/zinc/27/41/98/386274198.db2.gz MCHLRJKPUAPSIR-AWEZNQCLSA-N 2 0 240.391 1.687 20 0 BDADRP COC[C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000081066848 386277565 /nfs/dbraw/zinc/27/75/65/386277565.db2.gz XKMZXXWIVQBTLI-CYBMUJFWSA-N 2 0 226.364 1.344 20 0 BDADRP C[C@H](O)CCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000336682777 386341948 /nfs/dbraw/zinc/34/19/48/386341948.db2.gz FDABTLCNCJDMGS-UONOGXRCSA-N 2 0 240.391 1.565 20 0 BDADRP CC(C)(C)[NH2+]CCN1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000414745662 386351266 /nfs/dbraw/zinc/35/12/66/386351266.db2.gz PUUUFCVNMDVRKM-CHWSQXEVSA-N 2 0 240.391 1.733 20 0 BDADRP Cc1n[nH]cc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000335269648 386353093 /nfs/dbraw/zinc/35/30/93/386353093.db2.gz LVWWGUHPCZWHLK-TXEJJXNPSA-N 2 0 234.347 1.150 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000415007661 386354101 /nfs/dbraw/zinc/35/41/01/386354101.db2.gz BOQDXLONBPLHMA-UPJWGTAASA-N 3 0 227.396 1.624 20 0 BDADRP C[C@H]1C[C@@H](C[N@@H+]2CCNC(C)(C)C2)CC[NH2+]1 ZINC000335270738 386355327 /nfs/dbraw/zinc/35/53/27/386355327.db2.gz RSSOVJCAQMEFSO-RYUDHWBXSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)C[C@H]1CCC[NH2+]1 ZINC000415007660 386355796 /nfs/dbraw/zinc/35/57/96/386355796.db2.gz BOQDXLONBPLHMA-JHJVBQTASA-N 3 0 227.396 1.624 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@H](C3CC3)C2)CC[NH2+]1 ZINC000414748038 386359040 /nfs/dbraw/zinc/35/90/40/386359040.db2.gz UBGTXONFJMMING-BZPMIXESSA-N 2 0 238.375 1.485 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@@H](C3CC3)C2)CC[NH2+]1 ZINC000414748045 386359893 /nfs/dbraw/zinc/35/98/93/386359893.db2.gz UBGTXONFJMMING-YRGRVCCFSA-N 2 0 238.375 1.485 20 0 BDADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)N[C@H]1CCC[NH2+]C1 ZINC000414905399 386361445 /nfs/dbraw/zinc/36/14/45/386361445.db2.gz OFEVZYVUOCBSPI-MJBXVCDLSA-N 2 0 239.407 1.639 20 0 BDADRP COC[C@@H](CC(C)C)[NH2+]CCCC[NH3+] ZINC000414905806 386362681 /nfs/dbraw/zinc/36/26/81/386362681.db2.gz OKUKSXGWDSBUSI-LLVKDONJSA-N 2 0 202.342 1.376 20 0 BDADRP CC1(C[NH2+]Cc2ccccn2)CC[NH2+]CC1 ZINC000414905728 386365042 /nfs/dbraw/zinc/36/50/42/386365042.db2.gz ORJYOHJJQOHIMR-UHFFFAOYSA-N 2 0 219.332 1.561 20 0 BDADRP C[C@@H]1C[C@H]([N@H+](C)CC2(C)COC2)CCN1C ZINC000336694969 386369908 /nfs/dbraw/zinc/36/99/08/386369908.db2.gz FLJZKTZBSCMZAK-VXGBXAGGSA-N 2 0 226.364 1.437 20 0 BDADRP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2CCOC2)CCN1C ZINC000336690431 386372346 /nfs/dbraw/zinc/37/23/46/386372346.db2.gz AXDHVFYRKFFGIJ-JHJVBQTASA-N 2 0 226.364 1.437 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[N@H+](C)CCCCCO ZINC000414750366 386372592 /nfs/dbraw/zinc/37/25/92/386372592.db2.gz XSYOBEMXBRTZON-GFCCVEGCSA-N 2 0 216.369 1.454 20 0 BDADRP C[C@@H]1CCNC[C@@H]1[NH2+]CC[C@H]1CCOC1 ZINC000414906820 386372832 /nfs/dbraw/zinc/37/28/32/386372832.db2.gz AJOUDCROCBDLFR-WOPDTQHZSA-N 2 0 212.337 1.001 20 0 BDADRP C[C@H]1C[C@H](O)C[N@@H+]1Cc1cccc2nccn21 ZINC000334495052 386374342 /nfs/dbraw/zinc/37/43/42/386374342.db2.gz CRZQANCYCBXESO-JQWIXIFHSA-N 2 0 231.299 1.289 20 0 BDADRP C[C@H](C(=O)N(C)[C@@H](C)C[NH3+])[C@@H]([NH3+])c1ccccc1 ZINC000237439638 386379662 /nfs/dbraw/zinc/37/96/62/386379662.db2.gz TXSJXOPDTZCSMI-GMXVVIOVSA-N 2 0 249.358 1.128 20 0 BDADRP COCC1(C)CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647989910 386379908 /nfs/dbraw/zinc/37/99/08/386379908.db2.gz DMUYCXISUMPGTQ-LBPRGKRZSA-N 2 0 226.364 1.344 20 0 BDADRP CC[C@@H]1CN(C[C@@H]([NH3+])CC(C)C)C[C@@H]1O ZINC000414752403 386381607 /nfs/dbraw/zinc/38/16/07/386381607.db2.gz BVJYPYZBPDSHMK-WOPDTQHZSA-N 2 0 214.353 1.063 20 0 BDADRP COC[C@H]([NH2+][C@@H]1CCCN(C)[C@H]1C)C1CC1 ZINC000336775235 386385022 /nfs/dbraw/zinc/38/50/22/386385022.db2.gz YKMYCWCLTTXOIG-UHTWSYAYSA-N 2 0 226.364 1.484 20 0 BDADRP Cn1cncc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000336684444 386333885 /nfs/dbraw/zinc/33/38/85/386333885.db2.gz FGHYFMUFDBFTAG-UHFFFAOYSA-N 2 0 236.363 1.194 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCCOC2)C1 ZINC000336717887 386439320 /nfs/dbraw/zinc/43/93/20/386439320.db2.gz WOIBNVKBOIJSGD-KBPBESRZSA-N 2 0 240.391 1.687 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CCC2(CC[NH2+]C2)CC1 ZINC000414767108 386439544 /nfs/dbraw/zinc/43/95/44/386439544.db2.gz IHXALYJIEXNOGV-CYBMUJFWSA-N 2 0 239.407 1.435 20 0 BDADRP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CC1(C)COC1 ZINC000336700027 386388255 /nfs/dbraw/zinc/38/82/55/386388255.db2.gz KXMIBHBGZFXXHF-ZDUSSCGKSA-N 2 0 240.391 1.829 20 0 BDADRP Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000647990747 386393099 /nfs/dbraw/zinc/39/30/99/386393099.db2.gz BTECKEBVLRDDJU-QWHCGFSZSA-N 2 0 248.374 1.773 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H](CO)c1ccccc1 ZINC000336732421 386396613 /nfs/dbraw/zinc/39/66/13/386396613.db2.gz ZKYGCFIABWVKFY-TZMCWYRMSA-N 2 0 236.359 1.827 20 0 BDADRP C[C@H](C[NH3+])N(C)C(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000237618649 386397586 /nfs/dbraw/zinc/39/75/86/386397586.db2.gz TXSJXOPDTZCSMI-NTZNESFSSA-N 2 0 249.358 1.128 20 0 BDADRP C[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CCCOC2)C1 ZINC000336700317 386402241 /nfs/dbraw/zinc/40/22/41/386402241.db2.gz KTHQPJHZLJXTFS-CHWSQXEVSA-N 2 0 226.364 1.297 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C[C@H]1O ZINC000414757890 386405689 /nfs/dbraw/zinc/40/56/89/386405689.db2.gz LXUYXGOCNIVZQT-FDYHWXHSSA-N 2 0 226.364 1.077 20 0 BDADRP COC[C@@H]1CCCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647991142 386407994 /nfs/dbraw/zinc/40/79/94/386407994.db2.gz CFVMPPRQQIUDNI-CHWSQXEVSA-N 2 0 226.364 1.344 20 0 BDADRP COCC[C@@H]1CCCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647991125 386408978 /nfs/dbraw/zinc/40/89/78/386408978.db2.gz AWJYLKWSHQQHQG-KBPBESRZSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+](C)CC[C@H]2CCCO2)CC[NH2+]1 ZINC000414759967 386414659 /nfs/dbraw/zinc/41/46/59/386414659.db2.gz PMEINXCSWQWPLN-MGPQQGTHSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1cc(C2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)[nH]n1 ZINC000647991320 386422611 /nfs/dbraw/zinc/42/26/11/386422611.db2.gz ZIHIAWJRIIUGAA-LBPRGKRZSA-N 2 0 248.374 1.507 20 0 BDADRP CO[C@H](C)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000336710704 386426714 /nfs/dbraw/zinc/42/67/14/386426714.db2.gz LKOXHGATAWNKGG-OCCSQVGLSA-N 2 0 240.391 1.685 20 0 BDADRP CC[C@@H]1C[C@H](C)C[N@@H+]1CCN1CC[NH2+]CC1 ZINC000399160967 386426860 /nfs/dbraw/zinc/42/68/60/386426860.db2.gz KTZIUJBFMMYFIE-QWHCGFSZSA-N 2 0 225.380 1.012 20 0 BDADRP CCC[C@@H](CC)[NH2+]CCCN1CC[NH2+]CC1 ZINC000414774854 386473199 /nfs/dbraw/zinc/47/31/99/386473199.db2.gz BWKPGNJVBRPRQE-CYBMUJFWSA-N 2 0 227.396 1.450 20 0 BDADRP C[C@@H]1C[C@H](CN2CC[C@@H]3[NH2+]CC[C@H]3C2)CC[NH2+]1 ZINC000414775855 386475395 /nfs/dbraw/zinc/47/53/95/386475395.db2.gz WDSSGBXRWUARHV-MQYQWHSLSA-N 2 0 237.391 1.058 20 0 BDADRP CCc1ccccc1[C@H]([NH3+])CN[C@@H]1CCC[NH2+]C1 ZINC000415044219 386528747 /nfs/dbraw/zinc/52/87/47/386528747.db2.gz BLLZTOIJQRQPJO-UKRRQHHQSA-N 2 0 247.386 1.590 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000415042988 386528804 /nfs/dbraw/zinc/52/88/04/386528804.db2.gz RADUBOQFRVTKTN-MNOVXSKESA-N 2 0 212.337 1.143 20 0 BDADRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]CC2(O)CCCC2)C1 ZINC000519536169 386480178 /nfs/dbraw/zinc/48/01/78/386480178.db2.gz JBWQCSNDUIPBKT-OLZOCXBDSA-N 2 0 240.391 1.754 20 0 BDADRP [NH3+]CCCC[NH2+]Cc1nccn1-c1ccccc1 ZINC000414913521 386489212 /nfs/dbraw/zinc/48/92/12/386489212.db2.gz WDFTZUTUFRXZCE-UHFFFAOYSA-N 2 0 244.342 1.701 20 0 BDADRP C[C@@H]1CCCC[C@@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000414779759 386491335 /nfs/dbraw/zinc/49/13/35/386491335.db2.gz KFOIJNFQCYEGBY-KGLIPLIRSA-N 2 0 239.407 1.450 20 0 BDADRP C[C@@H](CC1CCCC1)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415044352 386530578 /nfs/dbraw/zinc/53/05/78/386530578.db2.gz UYUCIPWLWUSIOB-FTYKPCCVSA-N 2 0 208.349 1.763 20 0 BDADRP C[C@H]1C[C@@H]1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415015749 386499369 /nfs/dbraw/zinc/49/93/69/386499369.db2.gz ZFBIQBHIISJZMI-ZBAXXZLZSA-N 2 0 208.349 1.620 20 0 BDADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@H]1CC12CC2 ZINC000417332169 386501871 /nfs/dbraw/zinc/50/18/71/386501871.db2.gz CSTZRDZVVIHFLT-WZRBSPASSA-N 2 0 220.360 1.859 20 0 BDADRP CCc1cnc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)s1 ZINC000415042412 386529735 /nfs/dbraw/zinc/52/97/35/386529735.db2.gz QSJZTLATNSEPBO-ZJUUUORDSA-N 2 0 239.388 1.923 20 0 BDADRP C[C@H]([NH3+])[C@H](C)NCc1ccc2c(c1)ncn2C ZINC000415016981 386503634 /nfs/dbraw/zinc/50/36/34/386503634.db2.gz OUIOXFHLSWZENS-UWVGGRQHSA-N 2 0 232.331 1.399 20 0 BDADRP CC[C@H]1C[C@H](C[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)CCO1 ZINC000415052064 386508099 /nfs/dbraw/zinc/50/80/99/386508099.db2.gz GYOHNRHRPFXNSI-RNJOBUHISA-N 2 0 226.364 1.613 20 0 BDADRP COC[C@@H](C)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000189784702 386530052 /nfs/dbraw/zinc/53/00/52/386530052.db2.gz LOMZAAAGDUWNHG-ZDUSSCGKSA-N 2 0 242.407 1.933 20 0 BDADRP c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)C2 ZINC000415021014 386510850 /nfs/dbraw/zinc/51/08/50/386510850.db2.gz BJRBGPNDDTXDRH-BYNSBNAKSA-N 2 0 228.339 1.351 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cnn2ccccc12 ZINC000415024084 386514360 /nfs/dbraw/zinc/51/43/60/386514360.db2.gz OEUJAUNSSDBBGF-NSHDSACASA-N 2 0 232.331 1.551 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cccc2c[nH]nc21 ZINC000415025352 386514385 /nfs/dbraw/zinc/51/43/85/386514385.db2.gz QRIYBIXGYPEPRR-JTQLQIEISA-N 2 0 232.331 1.780 20 0 BDADRP CCCC[C@H](COC)[NH2+][C@@H](C)CCC[NH3+] ZINC000415025936 386514851 /nfs/dbraw/zinc/51/48/51/386514851.db2.gz SBSWINJRUHAQNZ-NWDGAFQWSA-N 2 0 216.369 1.909 20 0 BDADRP Cc1c[nH]nc1CN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000335447206 386515870 /nfs/dbraw/zinc/51/58/70/386515870.db2.gz ABZQENZPWNNTMM-WDEREUQCSA-N 2 0 222.336 1.277 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H](O)C2CCC2)C1 ZINC000316130080 259689139 /nfs/dbraw/zinc/68/91/39/259689139.db2.gz HLBLYIBARCHYNE-UTUOFQBUSA-N 2 0 212.337 1.007 20 0 BDADRP Cc1nc(C)c(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)s1 ZINC000415028721 386516969 /nfs/dbraw/zinc/51/69/69/386516969.db2.gz DEDZKEJVPCZNQH-MNOVXSKESA-N 2 0 239.388 1.977 20 0 BDADRP CC(C)C[C@@H](C)C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415030192 386518890 /nfs/dbraw/zinc/51/88/90/386518890.db2.gz CFOKNZQYXQERHU-OLZOCXBDSA-N 2 0 228.380 1.637 20 0 BDADRP CC[C@H](COC)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415032635 386519393 /nfs/dbraw/zinc/51/93/93/386519393.db2.gz IATWPHJYPPJGLC-HBNTYKKESA-N 2 0 200.326 1.128 20 0 BDADRP C[C@@H](CCCC(F)(F)F)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415034383 386521234 /nfs/dbraw/zinc/52/12/34/386521234.db2.gz JKMWEJJVIJIJTR-AXTSPUMRSA-N 2 0 236.281 1.915 20 0 BDADRP Cc1ccncc1C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415034174 386522167 /nfs/dbraw/zinc/52/21/67/386522167.db2.gz JOVJWJRIWRQLNG-WCQYABFASA-N 2 0 219.332 1.607 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)C(C)C ZINC000336754620 386523630 /nfs/dbraw/zinc/52/36/30/386523630.db2.gz FTHGAZVMTZZLOV-RWMBFGLXSA-N 2 0 228.380 1.587 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000415043352 386530451 /nfs/dbraw/zinc/53/04/51/386530451.db2.gz RTRNRQFAOSUUDY-GXTWGEPZSA-N 3 0 239.407 1.578 20 0 BDADRP C[N@H+](CCCC1CC[NH2+]CC1)[C@H](CN)C1CC1 ZINC000647973465 386524960 /nfs/dbraw/zinc/52/49/60/386524960.db2.gz GCYRORANTIBVST-CQSZACIVSA-N 2 0 239.407 1.435 20 0 BDADRP CC(C)(C)[NH2+]CC[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415041684 386527130 /nfs/dbraw/zinc/52/71/30/386527130.db2.gz QBQKSLSFVQTYAE-WDEREUQCSA-N 3 0 213.369 1.092 20 0 BDADRP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)C(C)(C)C)CCN1C ZINC000336724057 386456505 /nfs/dbraw/zinc/45/65/05/386456505.db2.gz ZCFBERSSHCRDSF-UPJWGTAASA-N 2 0 242.407 1.808 20 0 BDADRP C[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CCC(C)(C)O2)C1 ZINC000336725913 386461624 /nfs/dbraw/zinc/46/16/24/386461624.db2.gz RRRNVPLGXLRUAC-CHWSQXEVSA-N 2 0 240.391 1.828 20 0 BDADRP C[C@H]([NH3+])CC(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000638422567 386462346 /nfs/dbraw/zinc/46/23/46/386462346.db2.gz PHEGXEGYHRHGOJ-GRYCIOLGSA-N 2 0 241.379 1.090 20 0 BDADRP NC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000414798279 386584726 /nfs/dbraw/zinc/58/47/26/386584726.db2.gz QBTFJVIPLGVTBW-CHWSQXEVSA-N 2 0 247.342 1.003 20 0 BDADRP CC(C)(C)[NH2+]CCN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000414799207 386591316 /nfs/dbraw/zinc/59/13/16/386591316.db2.gz JWVOKGOUXNSTJD-NWDGAFQWSA-N 2 0 227.396 1.482 20 0 BDADRP OCCC1(C[NH2+]C[C@H]2CCC[NH2+]C2)CCCC1 ZINC000415079599 386591278 /nfs/dbraw/zinc/59/12/78/386591278.db2.gz ILJWEQOCJLWIKI-ZDUSSCGKSA-N 2 0 240.391 1.518 20 0 BDADRP CC[C@H](Cc1ccccc1)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415046041 386532041 /nfs/dbraw/zinc/53/20/41/386532041.db2.gz WQNLPSKLDWUYSD-KBXIAJHMSA-N 2 0 230.355 1.815 20 0 BDADRP CCCC[C@@H](COC)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415045157 386532431 /nfs/dbraw/zinc/53/24/31/386532431.db2.gz SPTJHFXFGLEKMW-STQMWFEESA-N 2 0 244.379 1.160 20 0 BDADRP C[C@@H](CC1CC1)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415047730 386533774 /nfs/dbraw/zinc/53/37/74/386533774.db2.gz WHIPYOKYZRARMB-CMPLNLGQSA-N 2 0 212.337 1.143 20 0 BDADRP COc1ccsc1C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415048652 386534669 /nfs/dbraw/zinc/53/46/69/386534669.db2.gz XAHVDVIIIUGPSP-VHSXEESVSA-N 2 0 240.372 1.974 20 0 BDADRP C[C@H](CC1CC1)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415047733 386535572 /nfs/dbraw/zinc/53/55/72/386535572.db2.gz WHIPYOKYZRARMB-ZYHUDNBSSA-N 2 0 212.337 1.143 20 0 BDADRP CC(C)CC[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414789764 386537919 /nfs/dbraw/zinc/53/79/19/386537919.db2.gz YXMZENIVBNMOCL-CYBMUJFWSA-N 2 0 240.391 1.720 20 0 BDADRP Cc1cc(CN2C[C@@H](C)[C@](C)(C[NH3+])C2)nn1C ZINC000415055054 386538369 /nfs/dbraw/zinc/53/83/69/386538369.db2.gz MFSQNUPOFXQRIG-ZWNOBZJWSA-N 2 0 236.363 1.145 20 0 BDADRP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000414789506 386539814 /nfs/dbraw/zinc/53/98/14/386539814.db2.gz OQNNHDOSRZERIC-CABCVRRESA-N 2 0 246.354 1.234 20 0 BDADRP Cc1nn(C)cc1CN[C@H](C[NH3+])C(C)(C)C ZINC000415058371 386540504 /nfs/dbraw/zinc/54/05/04/386540504.db2.gz VRLJGZXNNQEBMD-LLVKDONJSA-N 2 0 224.352 1.192 20 0 BDADRP CC[NH+](CC)[C@@H]1CCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000062980186 386541061 /nfs/dbraw/zinc/54/10/61/386541061.db2.gz SEGHXYLDUCQFTK-ZIAGYGMSSA-N 2 0 239.407 1.402 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]C[C@@H](O)C2CCC2)CC1 ZINC000316216856 259689594 /nfs/dbraw/zinc/68/95/94/259689594.db2.gz REAOMSDTIZLWRI-CQSZACIVSA-N 2 0 240.391 1.610 20 0 BDADRP CCCC1CCC(C[N@H+](C)C[C@H](O)C[NH3+])CC1 ZINC000415067970 386551941 /nfs/dbraw/zinc/55/19/41/386551941.db2.gz LVZXWHUSCJYTBU-JXQTWKCFSA-N 2 0 242.407 1.844 20 0 BDADRP CCc1ccccc1[C@H]([NH3+])CNCC1(C[NH3+])CC1 ZINC000415069417 386552677 /nfs/dbraw/zinc/55/26/77/386552677.db2.gz SNOIPXIXTMGJOV-CQSZACIVSA-N 2 0 247.386 1.577 20 0 BDADRP CCC[NH+]1CCC(N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000415070899 386559497 /nfs/dbraw/zinc/55/94/97/386559497.db2.gz RMIQYYPRKVZELO-CQSZACIVSA-N 2 0 239.407 1.593 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+]C[C@@H]([NH3+])C(C)C)CCO1 ZINC000414796172 386566147 /nfs/dbraw/zinc/56/61/47/386566147.db2.gz NSVWXZBLWPFQPZ-JHJVBQTASA-N 2 0 228.380 1.765 20 0 BDADRP CC[C@H]([NH2+]C1CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000415075838 386568941 /nfs/dbraw/zinc/56/89/41/386568941.db2.gz FQMOBQFZUBXMLT-RYUDHWBXSA-N 2 0 212.337 1.286 20 0 BDADRP OCC[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccccc1 ZINC000415111431 386619438 /nfs/dbraw/zinc/61/94/38/386619438.db2.gz BXQDBIKXEGUBEN-OAHLLOKOSA-N 2 0 248.370 1.699 20 0 BDADRP CCC([NH3+])(CC)C[NH2+]CC[C@H]1CCOC1 ZINC000414808126 386620553 /nfs/dbraw/zinc/62/05/53/386620553.db2.gz KGLRGQFBNZAYNN-NSHDSACASA-N 2 0 214.353 1.520 20 0 BDADRP C[NH2+]CCC[N@H+](C)CCC(C)(C)C(=O)OC ZINC000415129000 386634836 /nfs/dbraw/zinc/63/48/36/386634836.db2.gz TWVIDIBNIXKQGV-UHFFFAOYSA-N 2 0 230.352 1.117 20 0 BDADRP COC(C)(C)[C@H](C)[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000300990150 386636068 /nfs/dbraw/zinc/63/60/68/386636068.db2.gz LNAATQAWGVTGSO-GRYCIOLGSA-N 2 0 228.380 1.872 20 0 BDADRP C[NH2+]CCCN(C)Cc1cnc2c(C)cccn12 ZINC000415132676 386639839 /nfs/dbraw/zinc/63/98/39/386639839.db2.gz LLKJXJZQCLEGSW-UHFFFAOYSA-N 2 0 246.358 1.684 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CC12CC2 ZINC000417372458 386643568 /nfs/dbraw/zinc/64/35/68/386643568.db2.gz XDUBZMPUDUQVRB-UTUOFQBUSA-N 2 0 208.349 1.716 20 0 BDADRP CCC([NH3+])(CC)C[NH2+][C@H]1CCCOCC1 ZINC000414815055 386650386 /nfs/dbraw/zinc/65/03/86/386650386.db2.gz WPDSHMUVRGNVQI-NSHDSACASA-N 2 0 214.353 1.663 20 0 BDADRP CCCC[C@H](C[NH3+])NC[C@@H]([NH3+])CC(C)C ZINC000414815353 386650894 /nfs/dbraw/zinc/65/08/94/386650894.db2.gz PESPPQIJSKQEQF-NWDGAFQWSA-N 2 0 215.385 1.467 20 0 BDADRP C([NH2+]C1CCC2(CC2)CC1)[C@H]1C[NH2+]CCCO1 ZINC000335488927 386604901 /nfs/dbraw/zinc/60/49/01/386604901.db2.gz SSDUTYXUUGITSZ-CYBMUJFWSA-N 2 0 238.375 1.677 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](CCO)C(C)(C)C ZINC000336645908 386607236 /nfs/dbraw/zinc/60/72/36/386607236.db2.gz DIBVTKJYHCHHRN-RYUDHWBXSA-N 2 0 230.396 1.891 20 0 BDADRP CC[NH+](CC)CCC[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415096299 386614581 /nfs/dbraw/zinc/61/45/81/386614581.db2.gz AXUBQLVYWDWDQQ-KBPBESRZSA-N 3 0 241.423 1.696 20 0 BDADRP C[C@H]([NH3+])c1ccc(CN[C@@H]2CC[NH2+]C2)cc1 ZINC000414807360 386618091 /nfs/dbraw/zinc/61/80/91/386618091.db2.gz CSHDRVSFLJGOHW-GXFFZTMASA-N 3 0 219.332 1.158 20 0 BDADRP CC(C)Cn1cc(C[NH2+]CC[C@@H](C)[NH3+])cn1 ZINC000414820238 386666076 /nfs/dbraw/zinc/66/60/76/386666076.db2.gz JJANKJGJYPSSPQ-LLVKDONJSA-N 2 0 224.352 1.366 20 0 BDADRP C[C@H]([NH3+])CC[NH2+]Cc1cc(O)cc(F)c1 ZINC000414822578 386674591 /nfs/dbraw/zinc/67/45/91/386674591.db2.gz NBIHRJRJNNGPPU-QMMMGPOBSA-N 2 0 212.268 1.358 20 0 BDADRP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C)C[NH+](C)C ZINC000425935358 386680903 /nfs/dbraw/zinc/68/09/03/386680903.db2.gz HVRHJSKCSXIXDQ-HZSPNIEDSA-N 2 0 242.407 1.979 20 0 BDADRP CC[C@@H](C)[C@H](C)[N@H+](CCOCC[NH3+])C1CC1 ZINC000357079851 386711086 /nfs/dbraw/zinc/71/10/86/386711086.db2.gz LPMCUGVRVLDIMR-NEPJUHHUSA-N 2 0 228.380 1.861 20 0 BDADRP C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1CCOCC[NH3+] ZINC000357077013 386711676 /nfs/dbraw/zinc/71/16/76/386711676.db2.gz IZONBHGLFBAUFS-UKRRQHHQSA-N 2 0 248.370 1.840 20 0 BDADRP Cc1ccncc1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414827775 386694066 /nfs/dbraw/zinc/69/40/66/386694066.db2.gz YJIXYCOIBREHLK-STQMWFEESA-N 2 0 233.359 1.868 20 0 BDADRP CN(C)c1ccccc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414827261 386703774 /nfs/dbraw/zinc/70/37/74/386703774.db2.gz KFEITNKMLJEPQO-CYBMUJFWSA-N 2 0 247.386 1.842 20 0 BDADRP C[NH2+]C[C@@H]1C[C@H](F)CN1CC[C@H]1CCC[NH2+]C1 ZINC000647958685 386704131 /nfs/dbraw/zinc/70/41/31/386704131.db2.gz WECBWNYLXTYOPO-AGIUHOORSA-N 2 0 243.370 1.008 20 0 BDADRP C[NH2+]C[C@@H](C)CNCc1ccc(F)c(F)c1 ZINC000414830391 386707930 /nfs/dbraw/zinc/70/79/30/386707930.db2.gz CCMJFZJXRBCKEH-SECBINFHSA-N 2 0 228.286 1.910 20 0 BDADRP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CCOCC[NH3+] ZINC000357068165 386708554 /nfs/dbraw/zinc/70/85/54/386708554.db2.gz DKMIEJZDGVGLDH-AGIUHOORSA-N 2 0 226.364 1.615 20 0 BDADRP Oc1cccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)c1 ZINC000414836955 386731630 /nfs/dbraw/zinc/73/16/30/386731630.db2.gz TVNFLPOFSPTVLW-NSHDSACASA-N 2 0 220.316 1.481 20 0 BDADRP CC(C)C[C@H]1CCCC[N@@H+]1CCOCC[NH3+] ZINC000357089471 386714289 /nfs/dbraw/zinc/71/42/89/386714289.db2.gz UGBHOKDZMWXEFB-CYBMUJFWSA-N 2 0 228.380 1.862 20 0 BDADRP C[NH2+][C@@H]1CCN(C(=O)c2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000335485635 386714532 /nfs/dbraw/zinc/71/45/32/386714532.db2.gz GKCJAXWCWQWLQN-ZWNOBZJWSA-N 2 0 247.342 1.140 20 0 BDADRP C[NH2+]CCNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000417781646 386715686 /nfs/dbraw/zinc/71/56/86/386715686.db2.gz KGORVZKPDQLYGJ-LBPRGKRZSA-N 2 0 249.358 1.048 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc2c(c1)ncn2C ZINC000414832096 386716014 /nfs/dbraw/zinc/71/60/14/386716014.db2.gz DSKFFDDGQRGJII-LLVKDONJSA-N 2 0 246.358 1.518 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+]Cc1cnc2c(C)cccn12 ZINC000414832124 386717427 /nfs/dbraw/zinc/71/74/27/386717427.db2.gz DTQOQNQBYWHZHK-NSHDSACASA-N 2 0 246.358 1.588 20 0 BDADRP C[NH2+]C[C@@H](C)CNC1CC[NH+](C(C)(C)C)CC1 ZINC000414840336 386740083 /nfs/dbraw/zinc/74/00/83/386740083.db2.gz NBRLQQCGKGJXRV-GFCCVEGCSA-N 2 0 241.423 1.694 20 0 BDADRP c1cnn([C@@H]2CCCC[C@@H]2[NH2+]C2CC[NH2+]CC2)c1 ZINC000335541663 386723285 /nfs/dbraw/zinc/72/32/85/386723285.db2.gz DRHMKCWRGCAQIP-UONOGXRCSA-N 2 0 248.374 1.708 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+][C@H]1CCCSC1 ZINC000414840814 386751148 /nfs/dbraw/zinc/75/11/48/386751148.db2.gz NMNPIMOBNFTWSD-ZJUUUORDSA-N 2 0 202.367 1.327 20 0 BDADRP [NH3+]C1(C[NH2+]C[C@H]2CCSC2)CCCCC1 ZINC000414842869 386755241 /nfs/dbraw/zinc/75/52/41/386755241.db2.gz NFHUZVDGQGLNNQ-LLVKDONJSA-N 2 0 228.405 1.991 20 0 BDADRP CN(CCC[NH+]1CCCC1)C[C@]1(C)CC[NH2+]C1 ZINC000340712736 386760509 /nfs/dbraw/zinc/76/05/09/386760509.db2.gz MZAZBOQNXMIRCR-CQSZACIVSA-N 2 0 239.407 1.404 20 0 BDADRP CC[C@H](COC)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414843631 386763637 /nfs/dbraw/zinc/76/36/37/386763637.db2.gz QLPMCZBYPFVLMS-NWDGAFQWSA-N 2 0 214.353 1.391 20 0 BDADRP CC(C)CCOCC[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000166224344 386765047 /nfs/dbraw/zinc/76/50/47/386765047.db2.gz KRSCNJXARALWMJ-CHWSQXEVSA-N 2 0 228.380 1.718 20 0 BDADRP COC[C@H]([NH2+]CC1=CC[N@H+](C)CC1)C(C)C ZINC000336761489 386765788 /nfs/dbraw/zinc/76/57/88/386765788.db2.gz KOIIQQSHFBUTNO-ZDUSSCGKSA-N 2 0 226.364 1.509 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414843949 386766818 /nfs/dbraw/zinc/76/68/18/386766818.db2.gz DALWGSVMGQWHOF-JHJVBQTASA-N 3 0 225.380 1.106 20 0 BDADRP C[C@@H](Cn1cccn1)[NH2+]CC1([NH3+])CCCCC1 ZINC000414839059 386742274 /nfs/dbraw/zinc/74/22/74/386742274.db2.gz IRRPFVLOCCGGHG-LBPRGKRZSA-N 2 0 236.363 1.523 20 0 BDADRP CC(C)(C)[NH2+]CCN[C@H](C[NH3+])C1CCCCC1 ZINC000414838982 386743105 /nfs/dbraw/zinc/74/31/05/386743105.db2.gz LEZAHNSSQZSEPI-CYBMUJFWSA-N 2 0 241.423 1.872 20 0 BDADRP CCCC[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000417834258 386792639 /nfs/dbraw/zinc/79/26/39/386792639.db2.gz MRFYRHNFFYQUJY-VXGBXAGGSA-N 2 0 241.379 1.138 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000414844449 386771618 /nfs/dbraw/zinc/77/16/18/386771618.db2.gz RJZSDCMHHRVKKB-SWLSCSKDSA-N 2 0 232.371 1.989 20 0 BDADRP CN(CC[NH3+])C(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000417836317 386796139 /nfs/dbraw/zinc/79/61/39/386796139.db2.gz LLXNCIPZRIBXNM-GFCCVEGCSA-N 2 0 249.358 1.130 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CCOC[C@@H]1C)C[NH+]1CCCC1 ZINC000192485082 386774156 /nfs/dbraw/zinc/77/41/56/386774156.db2.gz OEQSFOGLELNCJZ-HZSPNIEDSA-N 2 0 240.391 1.733 20 0 BDADRP C[NH2+][C@@H]1CCCN(CCCOC(C)C)C1 ZINC000336665902 386774747 /nfs/dbraw/zinc/77/47/47/386774747.db2.gz FCCWFARFBRONDC-GFCCVEGCSA-N 2 0 214.353 1.485 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+][C@H](C)CCC[NH3+])C1(C)C ZINC000336666617 386779550 /nfs/dbraw/zinc/77/95/50/386779550.db2.gz DPHQNXJBSMYANW-OUAUKWLOSA-N 2 0 214.353 1.517 20 0 BDADRP [NH3+]CCCN(CC1CCCC1)C[C@H]1CC[NH2+]C1 ZINC000647965997 386796444 /nfs/dbraw/zinc/79/64/44/386796444.db2.gz DEZKGAOBQOCADO-AWEZNQCLSA-N 2 0 239.407 1.437 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)CC1CCOCC1 ZINC000414844976 386787895 /nfs/dbraw/zinc/78/78/95/386787895.db2.gz RZTYCMHGNOIUOJ-NWDGAFQWSA-N 2 0 228.380 1.637 20 0 BDADRP CCc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)on1 ZINC000647785612 386788824 /nfs/dbraw/zinc/78/88/24/386788824.db2.gz CFSVOVRYCWPIJI-DMDPSCGWSA-N 2 0 249.358 1.715 20 0 BDADRP COC1CCC([NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000414846926 386822036 /nfs/dbraw/zinc/82/20/36/386822036.db2.gz FMBDTUCZTMSXQB-IWMBGFJWSA-N 2 0 240.391 1.922 20 0 BDADRP CO[C@@H]1CC[C@H]([NH2+][C@H](C)CCCC[NH3+])C1 ZINC000336672905 386823259 /nfs/dbraw/zinc/82/32/59/386823259.db2.gz GRAAHXJAGRGING-GRYCIOLGSA-N 2 0 214.353 1.661 20 0 BDADRP CN(C)CC(=O)Nc1ccc(-n2ccnc2)cc1 ZINC000340053908 386835715 /nfs/dbraw/zinc/83/57/15/386835715.db2.gz GBBVFGKZJMALQY-UHFFFAOYSA-N 2 0 244.298 1.372 20 0 BDADRP COc1cc(C)nc(CNC2(C)CC[NH2+]CC2)c1 ZINC000414937702 386839069 /nfs/dbraw/zinc/83/90/69/386839069.db2.gz IBWVKVZCBYOPPF-UHFFFAOYSA-N 2 0 249.358 1.630 20 0 BDADRP Cc1ccc2ncc(CN[C@H](C)C[NH3+])n2c1 ZINC000414937725 386839970 /nfs/dbraw/zinc/83/99/70/386839970.db2.gz WQSASQHDXDSZNL-SNVBAGLBSA-N 2 0 218.304 1.080 20 0 BDADRP COC[C@]1(C[NH2+]CC2CCCCC2)CCC[NH2+]1 ZINC000414936727 386840514 /nfs/dbraw/zinc/84/05/14/386840514.db2.gz CGTKXUGJBDFTCJ-CQSZACIVSA-N 2 0 240.391 1.925 20 0 BDADRP CSCC1CCC([NH2+][C@H]2CC[NH2+]C2)CC1 ZINC000395485141 386841907 /nfs/dbraw/zinc/84/19/07/386841907.db2.gz XVUWKSSKNVHWAT-MCIGGMRASA-N 2 0 228.405 1.860 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CCC1CC[NH+](C)CC1 ZINC000336674315 386843732 /nfs/dbraw/zinc/84/37/32/386843732.db2.gz UMQMVTLIOBWGKP-GFCCVEGCSA-N 3 0 227.396 1.435 20 0 BDADRP C[C@@H]1CCC[C@@H](C)[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000334787874 386849308 /nfs/dbraw/zinc/84/93/08/386849308.db2.gz YPSNOVMPDQIKDL-ZIAGYGMSSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1NCC[NH2+]C(C)(C)C ZINC000414938604 386854577 /nfs/dbraw/zinc/85/45/77/386854577.db2.gz FDHUXSLSHMFQEX-QWRGUYRKSA-N 2 0 213.369 1.105 20 0 BDADRP C[C@H]1OCC[C@@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000357851195 386856215 /nfs/dbraw/zinc/85/62/15/386856215.db2.gz NNSXPMXQPHVHAV-OLZOCXBDSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1OCC[C@H]1[NH2+]CC1([NH3+])CCCCCC1 ZINC000334835860 386875677 /nfs/dbraw/zinc/87/56/77/386875677.db2.gz BIMKXCBROKKOOR-NWDGAFQWSA-N 2 0 226.364 1.805 20 0 BDADRP COC[C@]1(C[NH2+][C@@H]2CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000414940105 386877274 /nfs/dbraw/zinc/87/72/74/386877274.db2.gz HBCCTIZHRZNGMO-MGPQQGTHSA-N 2 0 240.391 1.923 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000331870914 386918595 /nfs/dbraw/zinc/91/85/95/386918595.db2.gz BFVIWKSHRCQTFD-WOPDTQHZSA-N 2 0 214.353 1.397 20 0 BDADRP C[C@H](O)C[C@H](C)C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000331874289 386919008 /nfs/dbraw/zinc/91/90/08/386919008.db2.gz BODSVYTZYIBVOW-RVMXOQNASA-N 2 0 228.380 1.643 20 0 BDADRP C[C@H]([NH2+]C1CC[NH2+]CC1)[C@H]1COc2ccccc21 ZINC000334848847 386896243 /nfs/dbraw/zinc/89/62/43/386896243.db2.gz LVDLNYHEIKJFPG-SMDDNHRTSA-N 2 0 246.354 1.893 20 0 BDADRP CCc1cc(N(C)CC[NH+]2CCCC2)nc(C)n1 ZINC000302047918 386899287 /nfs/dbraw/zinc/89/92/87/386899287.db2.gz LXCMFDPUZUPNMK-UHFFFAOYSA-N 2 0 248.374 1.879 20 0 BDADRP CC[C@H]1C[C@H](C[N@@H+]2CCC[NH2+]CC2)CCO1 ZINC000334850920 386900137 /nfs/dbraw/zinc/90/01/37/386900137.db2.gz AXJXGSWNDHPIAN-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000358168292 386904679 /nfs/dbraw/zinc/90/46/79/386904679.db2.gz NETXQKLBQMYKKG-HZSPNIEDSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc2c1NCC2 ZINC000334858357 386910967 /nfs/dbraw/zinc/91/09/67/386910967.db2.gz RVARNAHTQDOLSX-FZMZJTMJSA-N 2 0 245.370 1.742 20 0 BDADRP C[C@H]1C[C@H](C[NH+]2CCC(C)(CO)CC2)CC[NH2+]1 ZINC000334865718 386922196 /nfs/dbraw/zinc/92/21/96/386922196.db2.gz LXEHSWZZMIQFNN-QWHCGFSZSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@H](O)CC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000331935958 386928670 /nfs/dbraw/zinc/92/86/70/386928670.db2.gz HXRIJSDAIOFMOD-GARJFASQSA-N 2 0 200.326 1.007 20 0 BDADRP CN(Cc1nc2ccccc2n1C)C1CC([NH3+])C1 ZINC000334869671 386929071 /nfs/dbraw/zinc/92/90/71/386929071.db2.gz RQNMBFYOOILXTN-UHFFFAOYSA-N 2 0 244.342 1.495 20 0 BDADRP CCC([NH3+])(CC)CN[C@H]1CCC[NH2+]CC1 ZINC000331962265 386932935 /nfs/dbraw/zinc/93/29/35/386932935.db2.gz KMHKYSGZSZXHRV-NSHDSACASA-N 2 0 213.369 1.236 20 0 BDADRP C[C@@]1(C[NH2+][C@@H]2CCCSC2)CCC[NH2+]C1 ZINC000334871906 386933501 /nfs/dbraw/zinc/93/35/01/386933501.db2.gz CBWGPVALGCSEMD-VXGBXAGGSA-N 2 0 228.405 1.861 20 0 BDADRP CC1(C)CCC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000334874444 386934799 /nfs/dbraw/zinc/93/47/99/386934799.db2.gz MJSIMJRSBRFZDX-RYUDHWBXSA-N 2 0 226.364 1.533 20 0 BDADRP CC1CCC([NH2+]C[C@@H]2C[NH2+]CCCO2)CC1 ZINC000334873373 386935369 /nfs/dbraw/zinc/93/53/69/386935369.db2.gz ILNMEMQCASTHLN-BPCQOVAHSA-N 2 0 226.364 1.533 20 0 BDADRP [NH3+][C@H]1C[C@H](N[C@@H]2CCCC[C@H]2[NH3+])c2ccccc21 ZINC000331976297 386935506 /nfs/dbraw/zinc/93/55/06/386935506.db2.gz KOTODDKLZCYEQM-BARDWOONSA-N 2 0 245.370 1.991 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2COC(C)(C)C2)C1 ZINC000417886013 386936015 /nfs/dbraw/zinc/93/60/15/386936015.db2.gz VKNLISGVEGAXJN-OLZOCXBDSA-N 2 0 240.391 1.875 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000332345059 386972361 /nfs/dbraw/zinc/97/23/61/386972361.db2.gz OGLQDHUGMKQGRF-MGPQQGTHSA-N 3 0 239.407 1.626 20 0 BDADRP CCC(O)(CC)C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000332058912 386951733 /nfs/dbraw/zinc/95/17/33/386951733.db2.gz YBEHPSONIZJKOL-NWDGAFQWSA-N 2 0 228.380 1.787 20 0 BDADRP COCC[C@H](C)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352534991 387050180 /nfs/dbraw/zinc/05/01/80/387050180.db2.gz KXQJBTXWDOJBHO-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@H](O)CCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000228037042 387062076 /nfs/dbraw/zinc/06/20/76/387062076.db2.gz DHJZECHXPNMWAW-RWMBFGLXSA-N 2 0 226.364 1.364 20 0 BDADRP C[C@@H]1C[C@@H](C[N@H+](C)C[C@H]2CCOC2)CC[NH2+]1 ZINC000398890664 387012680 /nfs/dbraw/zinc/01/26/80/387012680.db2.gz MQLWUQHKMKDAMC-FRRDWIJNSA-N 2 0 226.364 1.343 20 0 BDADRP CC[C@@H](C)[N@@H+]1CCC[C@@](O)(CN(C)C)C1 ZINC000639766718 387071047 /nfs/dbraw/zinc/07/10/47/387071047.db2.gz OLKZROSAKHJZHS-VXGBXAGGSA-N 2 0 214.353 1.173 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCOCC(F)F)CC[N@@H+]1C ZINC000188744146 387087458 /nfs/dbraw/zinc/08/74/58/387087458.db2.gz RNUAPQAQWMJXAQ-ZJUUUORDSA-N 2 0 236.306 1.340 20 0 BDADRP Oc1ccc2c(c1)C[N@@H+](CC[C@H]1CC[NH2+]C1)CC2 ZINC000334997956 387090973 /nfs/dbraw/zinc/09/09/73/387090973.db2.gz JRFRHPBOKPZDED-GFCCVEGCSA-N 2 0 246.354 1.750 20 0 BDADRP C[NH+](C)Cc1ccc(CNCc2ncc[nH]2)cc1 ZINC000067666958 387098542 /nfs/dbraw/zinc/09/85/42/387098542.db2.gz JUNTZRPWSLBMDK-UHFFFAOYSA-N 2 0 244.342 1.761 20 0 BDADRP CN(C)[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000250349729 387114941 /nfs/dbraw/zinc/11/49/41/387114941.db2.gz IWSGTHNHLUFWDW-ZIAGYGMSSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000335025566 387116570 /nfs/dbraw/zinc/11/65/70/387116570.db2.gz SQQMBRRMZRTWJE-CHWSQXEVSA-N 3 0 239.407 1.306 20 0 BDADRP CC(C)CC[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000070186260 387119994 /nfs/dbraw/zinc/11/99/94/387119994.db2.gz CDUNZTOFGIPBNV-ZIAGYGMSSA-N 2 0 242.407 1.857 20 0 BDADRP CC[C@@H]1CCC[C@H]([NH2+]C[C@@](C)(O)C[NH+](C)C)C1 ZINC000228723773 387121342 /nfs/dbraw/zinc/12/13/42/387121342.db2.gz VPTRTGXXDSUERO-HZSPNIEDSA-N 2 0 242.407 1.857 20 0 BDADRP CCC1CCC([NH2+]C[C@](C)(O)C[NH+](C)C)CC1 ZINC000228725291 387122701 /nfs/dbraw/zinc/12/27/01/387122701.db2.gz POOROEFRRQJVAB-RUXDESIVSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@@H]1[C@H]([NH2+]CC2C[NH2+]C2)C[C@H]1c1ccccc1 ZINC000423305552 387141628 /nfs/dbraw/zinc/14/16/28/387141628.db2.gz RDNHVXJRWKJIRG-NILFDRSVSA-N 2 0 230.355 1.988 20 0 BDADRP CCC1(CC)[C@@H]([NH2+]CC2C[NH2+]C2)C[C@@H]1OC ZINC000423306454 387142142 /nfs/dbraw/zinc/14/21/42/387142142.db2.gz TWQYFSXZQKRYHQ-RYUDHWBXSA-N 2 0 226.364 1.389 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]CC2C[NH2+]C2)C12CCCC2 ZINC000423308072 387144528 /nfs/dbraw/zinc/14/45/28/387144528.db2.gz XGVIZDKWSIWRFT-CHWSQXEVSA-N 2 0 238.375 1.533 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000459631832 387146044 /nfs/dbraw/zinc/14/60/44/387146044.db2.gz KSEZDVZKHZGETA-XDQVBPFNSA-N 2 0 238.375 1.770 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)C[NH3+])C12CCC2 ZINC000423309219 387147288 /nfs/dbraw/zinc/14/72/88/387147288.db2.gz PWGYTUMMMXUOCA-IJLUTSLNSA-N 2 0 226.364 1.519 20 0 BDADRP CCC1(CC)[C@H]([NH2+]C[C@H](C)C[NH3+])C[C@@H]1OC ZINC000423312376 387149787 /nfs/dbraw/zinc/14/97/87/387149787.db2.gz UZPKNFUCPQLDKP-UTUOFQBUSA-N 2 0 228.380 1.765 20 0 BDADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)C[NH3+] ZINC000423312476 387152101 /nfs/dbraw/zinc/15/21/01/387152101.db2.gz VFTQUVKBDAKCFH-SRVKXCTJSA-N 2 0 214.353 1.376 20 0 BDADRP COC[C@H]([NH2+]C[C@H]([NH3+])C1CC1)C1CCCC1 ZINC000423314208 387153222 /nfs/dbraw/zinc/15/32/22/387153222.db2.gz GUJXGEHLDCFRTB-STQMWFEESA-N 2 0 226.364 1.519 20 0 BDADRP COCC[C@H]1CCC[C@@H]1[NH2+]CC1([NH3+])CCC1 ZINC000423319414 387159055 /nfs/dbraw/zinc/15/90/55/387159055.db2.gz FFYDFZHUGRQJLY-NEPJUHHUSA-N 2 0 226.364 1.663 20 0 BDADRP CC1(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CC[NH2+]CC1 ZINC000423319551 387162432 /nfs/dbraw/zinc/16/24/32/387162432.db2.gz DLLDXHNVMVURSO-VXGBXAGGSA-N 3 0 225.380 1.093 20 0 BDADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cn[nH]c1 ZINC000423322964 387166138 /nfs/dbraw/zinc/16/61/38/387166138.db2.gz HROVEEHPYQWXBB-SNVBAGLBSA-N 2 0 222.336 1.450 20 0 BDADRP CC[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371206380 387171585 /nfs/dbraw/zinc/17/15/85/387171585.db2.gz YKWZUJDMYMDDDV-ZDUSSCGKSA-N 2 0 225.380 1.107 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+]CCC[NH2+]C(C)C)C12CCC2 ZINC000571789131 387171832 /nfs/dbraw/zinc/17/18/32/387171832.db2.gz MXWVSLSONAFXRM-QWHCGFSZSA-N 2 0 240.391 1.922 20 0 BDADRP Cc1ncncc1[C@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000571819724 387177086 /nfs/dbraw/zinc/17/70/86/387177086.db2.gz INLPEMMZFZMTSE-NSHDSACASA-N 2 0 246.358 1.698 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]([NH3+])C2CC2)C12CCC2 ZINC000423333079 387178878 /nfs/dbraw/zinc/17/88/78/387178878.db2.gz VJMKPCFTHSFYCA-FRRDWIJNSA-N 2 0 238.375 1.661 20 0 BDADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCCC[NH3+])[C@H]1C ZINC000423335028 387180293 /nfs/dbraw/zinc/18/02/93/387180293.db2.gz TVELBITVGPFMFQ-SDDRHHMPSA-N 2 0 242.363 1.293 20 0 BDADRP C[C@@H]([NH2+]CCCC[NH3+])C1CCSCC1 ZINC000423337452 387185990 /nfs/dbraw/zinc/18/59/90/387185990.db2.gz VPIOGFDBCFRWNY-SNVBAGLBSA-N 2 0 216.394 1.847 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC2=CC[NH2+]CC2)CN1C1CC1 ZINC000423340355 387190123 /nfs/dbraw/zinc/19/01/23/387190123.db2.gz JKPMXQNTVQOMRV-AAEUAGOBSA-N 2 0 235.375 1.121 20 0 BDADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)C1CCOCC1 ZINC000423343639 387191967 /nfs/dbraw/zinc/19/19/67/387191967.db2.gz XAMKXUDSJZDISP-GFCCVEGCSA-N 2 0 240.391 1.781 20 0 BDADRP Cc1ccccc1[C@H](C)[NH2+]CC1C[NH2+]C1 ZINC000423304190 387136374 /nfs/dbraw/zinc/13/63/74/387136374.db2.gz NMCHBWXECWBIJO-NSHDSACASA-N 2 0 204.317 1.865 20 0 BDADRP COC[C@@H](C)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000120558227 387192143 /nfs/dbraw/zinc/19/21/43/387192143.db2.gz RIHRZFMKVFOOIS-QWHCGFSZSA-N 2 0 228.380 1.543 20 0 BDADRP COc1cccc([C@@H](C)[NH2+]CC2C[NH2+]C2)c1 ZINC000423304490 387139240 /nfs/dbraw/zinc/13/92/40/387139240.db2.gz OCCYNAOJYVJDDT-SNVBAGLBSA-N 2 0 220.316 1.565 20 0 BDADRP c1ccc([C@H]([NH2+]CC2C[NH2+]C2)C2CC2)cc1 ZINC000423304650 387140003 /nfs/dbraw/zinc/14/00/03/387140003.db2.gz OOGQROPZFPWSPE-AWEZNQCLSA-N 2 0 216.328 1.947 20 0 BDADRP C[C@H](NC[C@@]1(C)CCC[NH2+]C1)[C@H]1CCC[NH2+]1 ZINC000423351574 387203289 /nfs/dbraw/zinc/20/32/89/387203289.db2.gz ZFHGPMUUJIKVSF-XQQFMLRXSA-N 2 0 225.380 1.106 20 0 BDADRP C[C@H]1CN(C)C[C@@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423424719 387252538 /nfs/dbraw/zinc/25/25/38/387252538.db2.gz NNUZUWOJNVLUGC-XUXIUFHCSA-N 2 0 239.407 1.291 20 0 BDADRP C[C@@H](C[NH+]1CCCCCC1)NCc1ncc[nH]1 ZINC000187569246 387206390 /nfs/dbraw/zinc/20/63/90/387206390.db2.gz STQCEGSVZLTZFU-LBPRGKRZSA-N 2 0 236.363 1.764 20 0 BDADRP CC[C@H]1C[C@H](C[NH2+][C@H]2CC[NH2+]C2)CCO1 ZINC000571940658 387207194 /nfs/dbraw/zinc/20/71/94/387207194.db2.gz YIGZYLQZMDPUTK-WOPDTQHZSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H](Cc1ccoc1)[NH2+]CC1=CC[NH2+]CC1 ZINC000423355516 387207250 /nfs/dbraw/zinc/20/72/50/387207250.db2.gz PDPDGJXKMAIXDV-NSHDSACASA-N 2 0 220.316 1.720 20 0 BDADRP C[C@H]1CN(C)C[C@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423424718 387252743 /nfs/dbraw/zinc/25/27/43/387252743.db2.gz NNUZUWOJNVLUGC-XDQVBPFNSA-N 2 0 239.407 1.291 20 0 BDADRP C[N@H+](CC[C@H]1CCC[NH+]1C)CC1(O)CCC1 ZINC000353486364 387211343 /nfs/dbraw/zinc/21/13/43/387211343.db2.gz XRFYNDYQBXWZPO-GFCCVEGCSA-N 2 0 226.364 1.318 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH+]1C)CC1(O)CCC1 ZINC000353486365 387212804 /nfs/dbraw/zinc/21/28/04/387212804.db2.gz XRFYNDYQBXWZPO-LBPRGKRZSA-N 2 0 226.364 1.318 20 0 BDADRP C[C@@H](N[C@@H]1CC[NH2+]C[C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000423361759 387213221 /nfs/dbraw/zinc/21/32/21/387213221.db2.gz APCXISZEXJSPGI-LPWJVIDDSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H](C[NH3+])N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000423362872 387216037 /nfs/dbraw/zinc/21/60/37/387216037.db2.gz ILEDWMWURYAKEZ-GZBFAFLISA-N 2 0 247.386 1.586 20 0 BDADRP [NH3+]CCC[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000643496698 387216841 /nfs/dbraw/zinc/21/68/41/387216841.db2.gz JLHNCXMKAOXFHY-GFCCVEGCSA-N 2 0 226.270 1.891 20 0 BDADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000423365931 387217344 /nfs/dbraw/zinc/21/73/44/387217344.db2.gz CFFKMOJDJLFMHK-SFTQSGBHSA-N 2 0 237.391 1.199 20 0 BDADRP CC[C@@H](COC)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423366646 387218497 /nfs/dbraw/zinc/21/84/97/387218497.db2.gz BXKGBHYXRMRKMW-AWEZNQCLSA-N 2 0 234.343 1.804 20 0 BDADRP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1(C)C ZINC000423370964 387224368 /nfs/dbraw/zinc/22/43/68/387224368.db2.gz GEDGWHPSLMONSC-NJMOYASZSA-N 2 0 240.391 1.905 20 0 BDADRP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000423373022 387225733 /nfs/dbraw/zinc/22/57/33/387225733.db2.gz GTJUDIQJZVEHCS-RFGFWPKPSA-N 2 0 240.391 1.922 20 0 BDADRP C[NH+](C)CCOCC[NH2+]Cc1cccc(O)c1 ZINC000230004939 387226243 /nfs/dbraw/zinc/22/62/43/387226243.db2.gz YTUJCSYWFNAKNI-UHFFFAOYSA-N 2 0 238.331 1.060 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@H](OC)C1(C)C ZINC000300632869 387230795 /nfs/dbraw/zinc/23/07/95/387230795.db2.gz KAIDZUQLSJPNNY-TUAOUCFPSA-N 2 0 244.379 1.143 20 0 BDADRP C[NH2+][C@H](C)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423397612 387232109 /nfs/dbraw/zinc/23/21/09/387232109.db2.gz SRLZUOFRNJPFRM-FDYHWXHSSA-N 2 0 238.375 1.532 20 0 BDADRP C[NH2+][C@H](C)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000423397614 387232637 /nfs/dbraw/zinc/23/26/37/387232637.db2.gz SRLZUOFRNJPFRM-LPWJVIDDSA-N 2 0 238.375 1.532 20 0 BDADRP C[C@H]1C[C@@H](N[C@H]2CCC[NH2+][C@H]2C)C[N@@H+]1C1CC1 ZINC000423403614 387239546 /nfs/dbraw/zinc/23/95/46/387239546.db2.gz YQXCHVDGZGMPDU-FMSGJZPZSA-N 2 0 237.391 1.342 20 0 BDADRP COC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)C1CCCC1 ZINC000423407734 387242840 /nfs/dbraw/zinc/24/28/40/387242840.db2.gz WJAHQVSTQFCRJP-BNOWGMLFSA-N 2 0 240.391 1.779 20 0 BDADRP COCC1(C[NH2+][C@@H](C)[C@@H](C)OC)CC[NH2+]CC1 ZINC000423406671 387244351 /nfs/dbraw/zinc/24/43/51/387244351.db2.gz KYWYLDPQNBKPBQ-NWDGAFQWSA-N 2 0 244.379 1.016 20 0 BDADRP COCC1CCC([NH2+][C@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000423408586 387246964 /nfs/dbraw/zinc/24/69/64/387246964.db2.gz XRZDOISRDYAFDB-ABXWRUBCSA-N 2 0 240.391 1.779 20 0 BDADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000423415254 387248492 /nfs/dbraw/zinc/24/84/92/387248492.db2.gz AKDNJIBSLQVRKF-FDYHWXHSSA-N 3 0 225.380 1.221 20 0 BDADRP COC[C@@]1(C[NH2+][C@H](C)C2(C)CC2)CCC[NH2+]1 ZINC000423416996 387248625 /nfs/dbraw/zinc/24/86/25/387248625.db2.gz GDOQBEMXTIUTRR-YPMHNXCESA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423426964 387251875 /nfs/dbraw/zinc/25/18/75/387251875.db2.gz PZPGYXODMVLIRH-CYDGBPFRSA-N 3 0 227.396 1.467 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])[C@H]1CCC[NH2+]1 ZINC000423425476 387252199 /nfs/dbraw/zinc/25/21/99/387252199.db2.gz GUSFZPZFMTXWLU-QJPTWQEYSA-N 3 0 213.369 1.234 20 0 BDADRP COC[C@H]([NH2+]CC1=CC[NH2+]CC1)C(C)C ZINC000423345162 387194758 /nfs/dbraw/zinc/19/47/58/387194758.db2.gz NQUYDDLVMLAWIQ-LBPRGKRZSA-N 2 0 212.337 1.167 20 0 BDADRP CCC[NH+]1CCC([NH2+]CC2=CC[NH2+]CC2)CC1 ZINC000423345109 387194988 /nfs/dbraw/zinc/19/49/88/387194988.db2.gz NPNFCWHRAIUXAY-UHFFFAOYSA-N 3 0 237.391 1.370 20 0 BDADRP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)[C@@H]1CCCO1 ZINC000423348299 387197095 /nfs/dbraw/zinc/19/70/95/387197095.db2.gz SXGDSCZWSVEFRL-RWMBFGLXSA-N 2 0 226.364 1.533 20 0 BDADRP Cn1cc(C[NH2+]C2CCC([NH+](C)C)CC2)cn1 ZINC000353410929 387197953 /nfs/dbraw/zinc/19/79/53/387197953.db2.gz XSQNLGUGCOZKSE-UHFFFAOYSA-N 2 0 236.363 1.383 20 0 BDADRP C[C@H]1Cc2ccccc2[C@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423467224 387314707 /nfs/dbraw/zinc/31/47/07/387314707.db2.gz YXZXUQVIUMOZTD-FRDLFTECSA-N 2 0 228.339 1.727 20 0 BDADRP C[C@H]([NH2+]CCOCC[NH+](C)C)[C@H]1C[C@H]1C ZINC000321915866 387315802 /nfs/dbraw/zinc/31/58/02/387315802.db2.gz QKOULFNNTBUUHT-WOPDTQHZSA-N 2 0 214.353 1.199 20 0 BDADRP CC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])[C@@H]1CCC[NH2+]1 ZINC000423430524 387264411 /nfs/dbraw/zinc/26/44/11/387264411.db2.gz KZASDHNGOMUQMS-XQQFMLRXSA-N 3 0 227.396 1.624 20 0 BDADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000423382809 387265373 /nfs/dbraw/zinc/26/53/73/387265373.db2.gz PDTOFDBIQURVPR-UMSGYPCISA-N 2 0 225.380 1.057 20 0 BDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423470428 387317436 /nfs/dbraw/zinc/31/74/36/387317436.db2.gz DKCPGXRPVSYXJR-AGIUHOORSA-N 2 0 225.380 1.058 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+]C1CCC(COC)CC1 ZINC000423387599 387272180 /nfs/dbraw/zinc/27/21/80/387272180.db2.gz MFJNCOHZWODTLW-PNESKVBLSA-N 2 0 228.380 1.779 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2[NH2+]CCCC2(C)C)CCO1 ZINC000423389125 387273427 /nfs/dbraw/zinc/27/34/27/387273427.db2.gz NIEFRMJOMOYQGK-FRRDWIJNSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423393063 387277850 /nfs/dbraw/zinc/27/78/50/387277850.db2.gz QIYJTJHGGFCVRM-MNOVXSKESA-N 3 0 233.359 1.505 20 0 BDADRP C[C@@H](NC[C@@H]1[NH2+]CCCC1(C)C)[C@@H]1CCC[NH2+]1 ZINC000423393234 387277901 /nfs/dbraw/zinc/27/79/01/387277901.db2.gz QVLOYJKLFXTDDD-AGIUHOORSA-N 2 0 239.407 1.495 20 0 BDADRP Cc1n[nH]c(C)c1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000514726407 387279680 /nfs/dbraw/zinc/27/96/80/387279680.db2.gz RFYYVKRQTKLCHK-SFYZADRCSA-N 2 0 210.325 1.242 20 0 BDADRP CC[C@@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)C1CC1 ZINC000423432129 387284218 /nfs/dbraw/zinc/28/42/18/387284218.db2.gz QRQZOKPHESTWGB-OLZOCXBDSA-N 2 0 226.364 1.533 20 0 BDADRP CCC[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCC1 ZINC000423438049 387288920 /nfs/dbraw/zinc/28/89/20/387288920.db2.gz UWGNRTXQANMGDI-XQHKEYJVSA-N 2 0 208.349 1.763 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000423480455 387289680 /nfs/dbraw/zinc/28/96/80/387289680.db2.gz VZZNYEZWONBVAB-SDDRHHMPSA-N 2 0 228.380 1.905 20 0 BDADRP CC(C)[C@H](Cn1cccn1)[NH2+][C@@H](C)CCC[NH3+] ZINC000423444524 387294797 /nfs/dbraw/zinc/29/47/97/387294797.db2.gz AZNJAEAHHRGZFZ-STQMWFEESA-N 2 0 238.379 1.625 20 0 BDADRP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cnn(C)c1 ZINC000423451106 387300461 /nfs/dbraw/zinc/30/04/61/387300461.db2.gz XUUKQHIIEJZHDC-DDTOSNHZSA-N 2 0 248.374 1.459 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423454250 387301868 /nfs/dbraw/zinc/30/18/68/387301868.db2.gz BYPBILJPSJKJLE-RQJABVFESA-N 3 0 239.407 1.434 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423474314 387318782 /nfs/dbraw/zinc/31/87/82/387318782.db2.gz HDMQXKOTQLYMMH-OLZOCXBDSA-N 3 0 227.396 1.626 20 0 BDADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H](C)[C@H](C)[NH3+] ZINC000423455806 387303401 /nfs/dbraw/zinc/30/34/01/387303401.db2.gz CXPHCVKBMVVALV-OPDFLTKYSA-N 2 0 235.375 1.270 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C12CCC2 ZINC000423456273 387304443 /nfs/dbraw/zinc/30/44/43/387304443.db2.gz NRQXUAOXEBDKDJ-FHUSYTEZSA-N 2 0 236.359 1.142 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000423460260 387308790 /nfs/dbraw/zinc/30/87/90/387308790.db2.gz RUKHCVDFEUYHLI-UMSGYPCISA-N 2 0 238.375 1.661 20 0 BDADRP C[C@@H]1C[C@H](NC[C@@H]2CCCC[NH2+]2)C[N@@H+]1C1CC1 ZINC000643501581 387356856 /nfs/dbraw/zinc/35/68/56/387356856.db2.gz LLYREGGCYPXKEL-AGIUHOORSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H](C[NH3+])C2CCCC2)CC[N@@H+]1C ZINC000423532934 387358557 /nfs/dbraw/zinc/35/85/57/387358557.db2.gz SDNCKAHMPLRZGQ-BNOWGMLFSA-N 2 0 239.407 1.576 20 0 BDADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)[C@H]1CCC[NH2+]1 ZINC000423540191 387366381 /nfs/dbraw/zinc/36/63/81/387366381.db2.gz DANGXGYTRMELAL-BLYZHGLHSA-N 3 0 239.407 1.589 20 0 BDADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@@H]2CCCC[NH2+]C2)C1 ZINC000423542912 387368173 /nfs/dbraw/zinc/36/81/73/387368173.db2.gz BKUZAMIDBJSDFE-YNEHKIRRSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H]1C[C@H](NC[C@@H]2CCCC[NH2+]2)c2nccn21 ZINC000643503034 387369294 /nfs/dbraw/zinc/36/92/94/387369294.db2.gz ZHZFBWSOTJZAGX-WOPDTQHZSA-N 2 0 234.347 1.621 20 0 BDADRP CC[C@H](C)C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423549296 387369774 /nfs/dbraw/zinc/36/97/74/387369774.db2.gz NHUREWSUAFDUOD-RFQIPJPRSA-N 2 0 240.391 1.779 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@H]1Cc2ccccc21 ZINC000643453506 387369968 /nfs/dbraw/zinc/36/99/68/387369968.db2.gz IWYBRKNWPRUGLL-BNOWGMLFSA-N 2 0 216.328 1.796 20 0 BDADRP CC[C@@H]([NH2+]CCC1=CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000423546086 387370805 /nfs/dbraw/zinc/37/08/05/387370805.db2.gz YNYUIEOMOZBFDN-KGLIPLIRSA-N 3 0 237.391 1.416 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[NH2+]C2)CCO1 ZINC000423554180 387372010 /nfs/dbraw/zinc/37/20/10/387372010.db2.gz LHVCTVROANZZRO-GRYCIOLGSA-N 2 0 212.337 1.286 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)CCO1 ZINC000423558957 387375342 /nfs/dbraw/zinc/37/53/42/387375342.db2.gz SRLQHKVISLVIHH-UMSGYPCISA-N 2 0 226.364 1.674 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]CC[C@H]2C)CCO1 ZINC000423559056 387375966 /nfs/dbraw/zinc/37/59/66/387375966.db2.gz SXSWFJRQXKBDMI-AAVRWANBSA-N 2 0 240.391 1.922 20 0 BDADRP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)[C@@H](C)[NH3+] ZINC000423473721 387319554 /nfs/dbraw/zinc/31/95/54/387319554.db2.gz QVBPTCHPWVEGNX-RHYQMDGZSA-N 2 0 214.353 1.517 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCCO1 ZINC000423473788 387319573 /nfs/dbraw/zinc/31/95/73/387319573.db2.gz ODPNEMYEHREZNM-UMSGYPCISA-N 2 0 226.364 1.661 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC000423476723 387321355 /nfs/dbraw/zinc/32/13/55/387321355.db2.gz RCLJORYUTZVLTG-RFGFWPKPSA-N 3 0 239.407 1.624 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423475564 387321905 /nfs/dbraw/zinc/32/19/05/387321905.db2.gz QAYBHAZCRCHLJR-IRCOFANPSA-N 2 0 214.353 1.517 20 0 BDADRP C[C@H]([NH3+])[C@H](C)N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423483502 387329082 /nfs/dbraw/zinc/32/90/82/387329082.db2.gz XWNYBYCUCNSOPL-WTTBSCSTSA-N 2 0 219.332 1.457 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCc2ccccc2OC1)[C@H](C)[NH3+] ZINC000423486548 387331422 /nfs/dbraw/zinc/33/14/22/387331422.db2.gz ZOCVAPBKZLGSAU-DMDPSCGWSA-N 2 0 234.343 1.706 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)CN1C1CC1 ZINC000423486702 387333987 /nfs/dbraw/zinc/33/39/87/387333987.db2.gz BXHJQDJUXRYZAQ-XQHKEYJVSA-N 2 0 237.391 1.329 20 0 BDADRP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)C1CCCC1 ZINC000423490043 387336039 /nfs/dbraw/zinc/33/60/39/387336039.db2.gz HIGDACAVXZAPCD-UONOGXRCSA-N 2 0 240.391 1.923 20 0 BDADRP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423491963 387336054 /nfs/dbraw/zinc/33/60/54/387336054.db2.gz KYGAZXUWDFOTIC-UPJWGTAASA-N 2 0 240.391 1.779 20 0 BDADRP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423491964 387336924 /nfs/dbraw/zinc/33/69/24/387336924.db2.gz KYGAZXUWDFOTIC-XQQFMLRXSA-N 2 0 240.391 1.779 20 0 BDADRP CCc1ccccc1[C@H]([NH3+])CN[C@H](C)C1C[NH2+]C1 ZINC000423494894 387338676 /nfs/dbraw/zinc/33/86/76/387338676.db2.gz BFKSTDDLDMPEMD-IAQYHMDHSA-N 2 0 247.386 1.446 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CC(=O)NC1CCCC1 ZINC000643469745 387428635 /nfs/dbraw/zinc/42/86/35/387428635.db2.gz IHCKZMRHJNUGSC-LLVKDONJSA-N 2 0 241.379 1.152 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CC(=O)NC1CCCC1 ZINC000643469746 387428902 /nfs/dbraw/zinc/42/89/02/387428902.db2.gz IHCKZMRHJNUGSC-NSHDSACASA-N 2 0 241.379 1.152 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CSC1(C)C ZINC000393834518 259713801 /nfs/dbraw/zinc/71/38/01/259713801.db2.gz MOANJBMOKYQUCC-NXEZZACHSA-N 2 0 232.393 1.224 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC1(CO)CCCCC1 ZINC000643466297 387387894 /nfs/dbraw/zinc/38/78/94/387387894.db2.gz XBCYPFRVOFWJAS-VXGBXAGGSA-N 2 0 228.380 1.645 20 0 BDADRP Cc1n[nH]cc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000643503359 387389953 /nfs/dbraw/zinc/38/99/53/387389953.db2.gz GKZGELOIQDWLNV-JBLDHEPKSA-N 2 0 236.363 1.757 20 0 BDADRP Cc1n[nH]cc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000643503360 387391225 /nfs/dbraw/zinc/39/12/25/387391225.db2.gz GKZGELOIQDWLNV-JFGNBEQYSA-N 2 0 236.363 1.757 20 0 BDADRP C[C@H](CCC[NH3+])NC(=O)c1ccc2c[nH+]cn2c1 ZINC000423675733 387395267 /nfs/dbraw/zinc/39/52/67/387395267.db2.gz FKJPHKZSVADRHB-SNVBAGLBSA-N 2 0 246.314 1.192 20 0 BDADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000423676283 387395703 /nfs/dbraw/zinc/39/57/03/387395703.db2.gz IQJFJWCKYYGPSX-JBLDHEPKSA-N 2 0 241.379 1.136 20 0 BDADRP CCC[C@@H](C(=O)N[C@@H](C)CCCC[NH3+])[NH+](C)C ZINC000423700725 387400978 /nfs/dbraw/zinc/40/09/78/387400978.db2.gz UQIWAUDJESFQFZ-RYUDHWBXSA-N 2 0 243.395 1.350 20 0 BDADRP CC[C@H](O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000303984233 387418077 /nfs/dbraw/zinc/41/80/77/387418077.db2.gz HPGWBEICZFGRNS-ZDUSSCGKSA-N 2 0 228.380 1.421 20 0 BDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000423770400 387420823 /nfs/dbraw/zinc/42/08/23/387420823.db2.gz HKDIGEMHYABWTE-QJPTWQEYSA-N 2 0 243.395 1.206 20 0 BDADRP CC[C@@H](C)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000304631504 387497534 /nfs/dbraw/zinc/49/75/34/387497534.db2.gz VNLNKVRYLZYWCN-CHWSQXEVSA-N 2 0 225.380 1.012 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@H]1COC(C)(C)C1 ZINC000396875269 387507982 /nfs/dbraw/zinc/50/79/82/387507982.db2.gz IDYSRUKDVUCKCJ-GFCCVEGCSA-N 2 0 228.380 1.874 20 0 BDADRP CC[NH+](CC)CCN1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000375215795 387516081 /nfs/dbraw/zinc/51/60/81/387516081.db2.gz PQNXBDVMSVAEAF-KGLIPLIRSA-N 2 0 239.407 1.354 20 0 BDADRP Cc1c[nH+]ccc1NC[C@](C)(O)C[NH+](C)C ZINC000192716311 387526181 /nfs/dbraw/zinc/52/61/81/387526181.db2.gz WYHXMDFXLRNRKX-LBPRGKRZSA-N 2 0 223.320 1.115 20 0 BDADRP CS[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000425364868 387526379 /nfs/dbraw/zinc/52/63/79/387526379.db2.gz ZSKDZBOBSHFZKA-CYZMBNFOSA-N 2 0 240.416 1.954 20 0 BDADRP CC(C)[C@H]([NH3+])CCN(C)CC(C)(C)[NH3+] ZINC000308813000 387532984 /nfs/dbraw/zinc/53/29/84/387532984.db2.gz DCLYLKHEABXCMA-SNVBAGLBSA-N 2 0 201.358 1.029 20 0 BDADRP CC[N@@H+]1CC[C@H](NCC[NH2+]C2CC2)[C@@H](C)C1 ZINC000643506288 387466163 /nfs/dbraw/zinc/46/61/63/387466163.db2.gz QZFWTWMABQTAOI-AAEUAGOBSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000643470987 387477194 /nfs/dbraw/zinc/47/71/94/387477194.db2.gz DJJZTIYAWPNLCS-RWMBFGLXSA-N 2 0 228.380 1.645 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000643470993 387477379 /nfs/dbraw/zinc/47/73/79/387477379.db2.gz FNGYGIOXNILQJO-YIYPIFLZSA-N 2 0 240.391 1.515 20 0 BDADRP C(C[NH2+]C1CC1)N[C@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000643508261 387482620 /nfs/dbraw/zinc/48/26/20/387482620.db2.gz YXMNNTCNASUPQC-IHRRRGAJSA-N 2 0 237.391 1.249 20 0 BDADRP CC[C@H](COC)[NH2+]CCC1CC[NH+](C)CC1 ZINC000122142661 387487339 /nfs/dbraw/zinc/48/73/39/387487339.db2.gz VIZYTPKJAYORRX-CYBMUJFWSA-N 2 0 228.380 1.733 20 0 BDADRP CCC1(O)CCC([NH2+][C@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000643474215 387487925 /nfs/dbraw/zinc/48/79/25/387487925.db2.gz PPQNSJKCYLOKQE-NELGMTEASA-N 2 0 240.391 1.800 20 0 BDADRP C[C@@H](Cc1ccoc1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643473922 387488826 /nfs/dbraw/zinc/48/88/26/387488826.db2.gz QUSSADBSLSUSRZ-WCQYABFASA-N 2 0 222.332 1.942 20 0 BDADRP c1cn(CC[N@@H+]2CCCO[C@H]3CCC[C@@H]32)cn1 ZINC000362181339 387582400 /nfs/dbraw/zinc/58/24/00/387582400.db2.gz RPQIYCDJIBHTKJ-STQMWFEESA-N 2 0 235.331 1.527 20 0 BDADRP Cc1n[nH]cc1[C@H](C)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000643510607 387582609 /nfs/dbraw/zinc/58/26/09/387582609.db2.gz WUTSQBKFBZKDKN-CMPLNLGQSA-N 2 0 236.363 1.758 20 0 BDADRP CC(C)(C)[NH2+]CCN1CCC2(CC[NH2+]2)CC1 ZINC000422561351 387602576 /nfs/dbraw/zinc/60/25/76/387602576.db2.gz KUALVROPHYAKQQ-UHFFFAOYSA-N 2 0 225.380 1.202 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422715142 387629217 /nfs/dbraw/zinc/62/92/17/387629217.db2.gz RVUBJJKFDAUQQX-QNWHQSFQSA-N 2 0 228.380 1.371 20 0 BDADRP CC[C@@H](NCC[N@H+](C)CC)[C@@H]1CCCC[NH2+]1 ZINC000422716811 387629249 /nfs/dbraw/zinc/62/92/49/387629249.db2.gz NXEXZOUMPJPEIV-OLZOCXBDSA-N 2 0 227.396 1.448 20 0 BDADRP CC[N@@H+]1CC[C@H](CN[C@@H](C)c2c[nH+]ccc2N)C1 ZINC000422689967 387612445 /nfs/dbraw/zinc/61/24/45/387612445.db2.gz FXYAAHOYWNKHGE-NWDGAFQWSA-N 2 0 248.374 1.487 20 0 BDADRP C[C@H]([NH2+]C[C@H](O)C1CCCCC1)C1C[NH2+]C1 ZINC000422698664 387615336 /nfs/dbraw/zinc/61/53/36/387615336.db2.gz AKHLNVBIHSGBBF-GWCFXTLKSA-N 2 0 226.364 1.125 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCN(C)CC(F)(F)F ZINC000422704030 387617460 /nfs/dbraw/zinc/61/74/60/387617460.db2.gz JPFZNAVKJUZTSF-RKDXNWHRSA-N 2 0 241.301 1.196 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)NCC[N@H+](C)C1CCCCC1 ZINC000422702321 387617628 /nfs/dbraw/zinc/61/76/28/387617628.db2.gz KKSWEHPGISGPOT-OLZOCXBDSA-N 2 0 241.423 1.966 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422715984 387629452 /nfs/dbraw/zinc/62/94/52/387629452.db2.gz TYAYRZQVLYRDRS-YWPUVAFDSA-N 2 0 228.380 1.501 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]C[C@@H](O)C1CCCCC1 ZINC000422705550 387620533 /nfs/dbraw/zinc/62/05/33/387620533.db2.gz RVXAQDSSUPEPAH-WCQYABFASA-N 2 0 228.380 1.645 20 0 BDADRP CCCC[N@H+](C)CCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000422707202 387620729 /nfs/dbraw/zinc/62/07/29/387620729.db2.gz GSTHYIVRRXRSJG-KBPBESRZSA-N 2 0 241.423 1.696 20 0 BDADRP C1=CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000527532810 387622359 /nfs/dbraw/zinc/62/23/59/387622359.db2.gz OXRQNHXQNZTVGC-FUNVUKJBSA-N 2 0 206.333 1.825 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCOCC2CC2)C1 ZINC000430537815 387625143 /nfs/dbraw/zinc/62/51/43/387625143.db2.gz HXSOEDTZCCEANX-YPMHNXCESA-N 2 0 226.364 1.472 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000305119117 387555860 /nfs/dbraw/zinc/55/58/60/387555860.db2.gz JAVFHMGPNPNBGJ-ODXJTPSBSA-N 2 0 242.407 1.712 20 0 BDADRP CC(C)[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000305164051 387566521 /nfs/dbraw/zinc/56/65/21/387566521.db2.gz XVDZVAPSAQFHPA-UONOGXRCSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@H](CN[C@H](C)C1C[NH2+]C1)C[NH+]1CCCCC1 ZINC000422716670 387627852 /nfs/dbraw/zinc/62/78/52/387627852.db2.gz UYNQRBPDFCYSIN-CHWSQXEVSA-N 2 0 239.407 1.306 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@H]1CCCOC1 ZINC000422717061 387630814 /nfs/dbraw/zinc/63/08/14/387630814.db2.gz OCSLUVQBDHYDED-UPJWGTAASA-N 2 0 226.364 1.663 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@H](C)CCCC[NH3+] ZINC000422718243 387631721 /nfs/dbraw/zinc/63/17/21/387631721.db2.gz WTQQZBGUQIVYMY-QJPTWQEYSA-N 2 0 216.369 1.501 20 0 BDADRP Cc1nccn1CCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000422724545 387632587 /nfs/dbraw/zinc/63/25/87/387632587.db2.gz VYQDRJDHWBNTRY-CHWSQXEVSA-N 2 0 236.363 1.299 20 0 BDADRP C[C@@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)C[NH+]1CCCC1 ZINC000422722343 387632615 /nfs/dbraw/zinc/63/26/15/387632615.db2.gz PEECWFMMPJGNEX-IHRRRGAJSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NC[C@H](C)C[NH+]1CCCC1 ZINC000422720979 387632699 /nfs/dbraw/zinc/63/26/99/387632699.db2.gz NARVEVKYKJGRKB-RWMBFGLXSA-N 2 0 227.396 1.434 20 0 BDADRP Cc1ncsc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422742186 387632728 /nfs/dbraw/zinc/63/27/28/387632728.db2.gz PPGMZJSKCKXGOQ-HTQZYQBOSA-N 2 0 213.350 1.667 20 0 BDADRP CCN(C)CC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422721428 387634240 /nfs/dbraw/zinc/63/42/40/387634240.db2.gz VJZLGOWQHIXXIG-UHFFFAOYSA-N 2 0 213.369 1.045 20 0 BDADRP CCOCCCC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422723767 387634262 /nfs/dbraw/zinc/63/42/62/387634262.db2.gz SIYTTXGMMMEFGS-STQMWFEESA-N 2 0 228.380 1.781 20 0 BDADRP C[C@H]1CC[NH2+]C[C@H]1NCCc1ccccn1 ZINC000422733218 387640612 /nfs/dbraw/zinc/64/06/12/387640612.db2.gz QKVZQEYIIXIMLA-WCQYABFASA-N 2 0 219.332 1.212 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCC1CCOCC1 ZINC000422731745 387640830 /nfs/dbraw/zinc/64/08/30/387640830.db2.gz OCMDHKCTLRPCEF-TZMCWYRMSA-N 2 0 240.391 1.781 20 0 BDADRP CC(C)CC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422733501 387641286 /nfs/dbraw/zinc/64/12/86/387641286.db2.gz QWXZRDBHEMBSDI-BFHYXJOUSA-N 2 0 240.391 1.779 20 0 BDADRP CC[NH+](CC)CCCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000422734174 387642285 /nfs/dbraw/zinc/64/22/85/387642285.db2.gz SDMZQKVNXXPJOK-ZIAGYGMSSA-N 2 0 241.423 1.968 20 0 BDADRP CC[C@H]([NH2+]CCC1CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000422734762 387642707 /nfs/dbraw/zinc/64/27/07/387642707.db2.gz TZDFVYZHTYLENV-KBPBESRZSA-N 2 0 240.391 1.923 20 0 BDADRP CC[C@H]([NH2+]CCCn1ccnc1)[C@@H]1CCC[NH2+]1 ZINC000422735104 387642962 /nfs/dbraw/zinc/64/29/62/387642962.db2.gz VJGJLALDDDYHJW-STQMWFEESA-N 2 0 236.363 1.393 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC[C@H](C)[N@H+](C)C1CC1 ZINC000422735974 387643082 /nfs/dbraw/zinc/64/30/82/387643082.db2.gz FRONCIKYHXQGFU-DCAQKATOSA-N 2 0 213.369 1.185 20 0 BDADRP COc1ccc(CC[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422736409 387643354 /nfs/dbraw/zinc/64/33/54/387643354.db2.gz WCKAGILGUGIYIM-VXGBXAGGSA-N 2 0 236.359 1.953 20 0 BDADRP Cc1ccccc1OCCC[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422738935 387645420 /nfs/dbraw/zinc/64/54/20/387645420.db2.gz KLTOWQPAAIYHIJ-CYBMUJFWSA-N 2 0 248.370 1.961 20 0 BDADRP C[C@@H](NC[C@H](C)[NH+](C)C)c1c[nH+]ccc1N ZINC000422745673 387647882 /nfs/dbraw/zinc/64/78/82/387647882.db2.gz VLKFOADZNOEVLE-VHSXEESVSA-N 2 0 222.336 1.095 20 0 BDADRP CC(C)[N@@H+]1CCC[C@H](CN[C@H]2CCC[C@H]2[NH3+])C1 ZINC000422745443 387648899 /nfs/dbraw/zinc/64/88/99/387648899.db2.gz VEENQLOZTAADBS-MCIONIFRSA-N 2 0 239.407 1.576 20 0 BDADRP C[C@@H](CN[C@@H]1C[NH2+]CC[C@H]1C)[N@H+](C)C1CC1 ZINC000422747237 387651099 /nfs/dbraw/zinc/65/10/99/387651099.db2.gz YDXHFJXXLXOMHQ-NTZNESFSSA-N 2 0 225.380 1.057 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCn1ccnc1 ZINC000422757788 387661135 /nfs/dbraw/zinc/66/11/35/387661135.db2.gz MYPRTUPMORXVRX-NEPJUHHUSA-N 2 0 222.336 1.133 20 0 BDADRP C[C@@H]1C[N@H+](CCN(C)c2ccccc2)CC[C@H]1[NH3+] ZINC000430918483 387661457 /nfs/dbraw/zinc/66/14/57/387661457.db2.gz NEJRHVROUONIPJ-UKRRQHHQSA-N 2 0 247.386 1.792 20 0 BDADRP CC[C@@H]([NH2+]CCCSC)[C@@H]1CCC[NH2+]1 ZINC000422768693 387668635 /nfs/dbraw/zinc/66/86/35/387668635.db2.gz ZOMNGTVWJRLNFZ-MNOVXSKESA-N 2 0 216.394 1.860 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H](C)N1CCC(C)CC1 ZINC000422775138 387673464 /nfs/dbraw/zinc/67/34/64/387673464.db2.gz AHBQMVDVXMQSKK-ZIAGYGMSSA-N 2 0 241.423 1.824 20 0 BDADRP C[C@H](CN[C@H](C)C1C[NH2+]C1)[NH+]1CCC(C)CC1 ZINC000422778133 387675357 /nfs/dbraw/zinc/67/53/57/387675357.db2.gz HHOKMELXBBZBNV-CHWSQXEVSA-N 2 0 239.407 1.304 20 0 BDADRP CC(C)[C@@H](O)CC[NH2+]C1CCC([NH3+])CC1 ZINC000422776598 387676199 /nfs/dbraw/zinc/67/61/99/387676199.db2.gz DCXOGORQHYHAJH-MCIGGMRASA-N 2 0 214.353 1.253 20 0 BDADRP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)[C@@H]1CCOC1 ZINC000422779135 387678128 /nfs/dbraw/zinc/67/81/28/387678128.db2.gz BNARPHNPRRZJLX-SYQHCUMBSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@H](NCCC[NH+]1CCCC1)c1c[nH+]ccc1N ZINC000422780027 387678403 /nfs/dbraw/zinc/67/84/03/387678403.db2.gz GQPZTAAUJGRQJF-LBPRGKRZSA-N 2 0 248.374 1.631 20 0 BDADRP C[C@H]([NH2+]Cc1cccc2cccnc21)C1C[NH2+]C1 ZINC000422779053 387679172 /nfs/dbraw/zinc/67/91/72/387679172.db2.gz IHECBXNBCYLIGF-NSHDSACASA-N 2 0 241.338 1.932 20 0 BDADRP CCC[NH+]1CCC(N[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000422781137 387680085 /nfs/dbraw/zinc/68/00/85/387680085.db2.gz KLEOGUYBUDWRIY-NWDGAFQWSA-N 2 0 227.396 1.576 20 0 BDADRP CCC[NH+]1CCC(N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000422781138 387680466 /nfs/dbraw/zinc/68/04/66/387680466.db2.gz KLEOGUYBUDWRIY-RYUDHWBXSA-N 2 0 227.396 1.576 20 0 BDADRP COC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)C1CC1 ZINC000126503780 387685595 /nfs/dbraw/zinc/68/55/95/387685595.db2.gz VUOFUAHCWHLCLA-TZMCWYRMSA-N 2 0 240.391 1.733 20 0 BDADRP CC[C@H](NC[C@@H](C)[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000422743538 387689634 /nfs/dbraw/zinc/68/96/34/387689634.db2.gz RQRNQHIFNPKYEI-WOPDTQHZSA-N 2 0 213.369 1.057 20 0 BDADRP CCCCOCC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422791450 387693325 /nfs/dbraw/zinc/69/33/25/387693325.db2.gz YMCNWMWNCRLUDN-WDEREUQCSA-N 2 0 202.342 1.519 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)NCCC[NH+]1CCCCC1 ZINC000422791339 387693569 /nfs/dbraw/zinc/69/35/69/387693569.db2.gz UVKRDNVKSVLHNS-CHWSQXEVSA-N 2 0 227.396 1.578 20 0 BDADRP C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+](C)C1CC1 ZINC000422744730 387693970 /nfs/dbraw/zinc/69/39/70/387693970.db2.gz UCECSMOOQJSHIY-ACJTYDJDSA-N 2 0 237.391 1.342 20 0 BDADRP C[C@H](NCC[N@@H+]1CCCC[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422862090 387743747 /nfs/dbraw/zinc/74/37/47/387743747.db2.gz NJVMRFHSXYPWOY-IHRRRGAJSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H]1CCC[N@H+](CCN[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422861984 387744781 /nfs/dbraw/zinc/74/47/81/387744781.db2.gz PGOBPEAJEDUIBY-MCIONIFRSA-N 2 0 239.407 1.435 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000422872006 387749315 /nfs/dbraw/zinc/74/93/15/387749315.db2.gz FHKILTWYZILHBK-SCRDCRAPSA-N 2 0 239.407 1.576 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422871628 387749716 /nfs/dbraw/zinc/74/97/16/387749716.db2.gz ZGFFYNXRPKUBTP-AGIUHOORSA-N 2 0 228.380 1.515 20 0 BDADRP CC(C)[N@H+](C)CCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000422876216 387753953 /nfs/dbraw/zinc/75/39/53/387753953.db2.gz FHHXSCIQAKZTKP-STQMWFEESA-N 2 0 227.396 1.576 20 0 BDADRP CC[N@H+](CCN[C@H](C)C[C@H](C)[NH3+])C1CC1 ZINC000422876910 387754169 /nfs/dbraw/zinc/75/41/69/387754169.db2.gz GRKZTBBYPVUQPH-WDEREUQCSA-N 2 0 213.369 1.186 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCC(F)(F)F ZINC000157155455 387754768 /nfs/dbraw/zinc/75/47/68/387754768.db2.gz OLVGMQRJMPQBKO-IUCAKERBSA-N 2 0 224.270 1.869 20 0 BDADRP Cc1cc(C[NH2+][C@H](C)C2C[NH2+]C2)ccc1F ZINC000422799828 387698475 /nfs/dbraw/zinc/69/84/75/387698475.db2.gz YSIMQCYSCHPHLH-SNVBAGLBSA-N 2 0 222.307 1.832 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2O1)C1C[NH2+]C1 ZINC000422804940 387701527 /nfs/dbraw/zinc/70/15/27/387701527.db2.gz IMEBPJYTZLOXHP-MFKMUULPSA-N 2 0 232.327 1.188 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1n1cccn1)C1C[NH2+]C1 ZINC000422805109 387701893 /nfs/dbraw/zinc/70/18/93/387701893.db2.gz GGMNNLXWUVJLDL-YUTCNCBUSA-N 2 0 248.374 1.564 20 0 BDADRP CO[C@H](C[NH2+][C@@H](C)C1C[NH2+]C1)C(C)(C)C ZINC000422806310 387704086 /nfs/dbraw/zinc/70/40/86/387704086.db2.gz HXZHHNAMTWPABU-GXSJLCMTSA-N 2 0 214.353 1.245 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1[NH3+])C(C)C ZINC000422807538 387706163 /nfs/dbraw/zinc/70/61/63/387706163.db2.gz MOQXIGAUPATXOO-HBNTYKKESA-N 2 0 200.326 1.127 20 0 BDADRP CC(C)CCOCC[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000045107832 387707412 /nfs/dbraw/zinc/70/74/12/387707412.db2.gz JNDJICDSFUGCLY-OLZOCXBDSA-N 2 0 228.380 1.718 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCc1ccsc1 ZINC000422810408 387709474 /nfs/dbraw/zinc/70/94/74/387709474.db2.gz RUELZJNXRJWXNG-GHMZBOCLSA-N 2 0 210.346 1.760 20 0 BDADRP CC(C)C[C@H](CCO)C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422813625 387710495 /nfs/dbraw/zinc/71/04/95/387710495.db2.gz YHCPUBMYVBPSNS-UPJWGTAASA-N 2 0 230.396 1.747 20 0 BDADRP C[C@H]([NH2+][C@@H]1CNCC[C@H]1C)C1CC[NH+](C)CC1 ZINC000643520999 387711692 /nfs/dbraw/zinc/71/16/92/387711692.db2.gz WZJFPQVFGLMQFH-MBNYWOFBSA-N 2 0 239.407 1.304 20 0 BDADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC1CC1 ZINC000422816666 387713608 /nfs/dbraw/zinc/71/36/08/387713608.db2.gz FQUQEGRYEHRSOM-SECBINFHSA-N 2 0 219.332 1.909 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)C1C[NH2+]C1 ZINC000422814671 387714026 /nfs/dbraw/zinc/71/40/26/387714026.db2.gz VWIBEZVZNSAMIS-VHSXEESVSA-N 2 0 248.326 1.674 20 0 BDADRP CCC[N@H+](CC)CCN[C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422818473 387715627 /nfs/dbraw/zinc/71/56/27/387715627.db2.gz GJTOXGKDVLVTQD-KGLIPLIRSA-N 2 0 241.423 1.839 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCOCc1ccccc1 ZINC000422819618 387717180 /nfs/dbraw/zinc/71/71/80/387717180.db2.gz IPQUXAFDNGWNEA-ZIAGYGMSSA-N 2 0 234.343 1.673 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CCCSC1 ZINC000422820265 387717593 /nfs/dbraw/zinc/71/75/93/387717593.db2.gz PSSNENWBHBVAMP-GRYCIOLGSA-N 2 0 228.405 1.860 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(N(C)C)nc1 ZINC000422825389 387720260 /nfs/dbraw/zinc/72/02/60/387720260.db2.gz ACYVJIXSSUEXIC-WDEREUQCSA-N 2 0 236.363 1.363 20 0 BDADRP [NH3+][C@@H]1C[C@H](N[C@H]2CCC[NH2+]CC2)c2ccccc21 ZINC000643522787 387721064 /nfs/dbraw/zinc/72/10/64/387721064.db2.gz FTWOOCIVJKMCEE-GLQYFDAESA-N 2 0 245.370 1.863 20 0 BDADRP [NH3+][C@@H]1C[C@@H](N[C@@H]2CCC[NH2+]CC2)c2ccccc21 ZINC000643522789 387722720 /nfs/dbraw/zinc/72/27/20/387722720.db2.gz FTWOOCIVJKMCEE-KCPJHIHWSA-N 2 0 245.370 1.863 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000643522957 387724017 /nfs/dbraw/zinc/72/40/17/387724017.db2.gz PFWXNUQCWCIVKY-JHJVBQTASA-N 2 0 225.380 1.378 20 0 BDADRP Cc1nccn1CC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422830291 387724121 /nfs/dbraw/zinc/72/41/21/387724121.db2.gz CKFKHSUWXSZXDK-OLZOCXBDSA-N 2 0 236.363 1.441 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000643522960 387724655 /nfs/dbraw/zinc/72/46/55/387724655.db2.gz PFWXNUQCWCIVKY-UPJWGTAASA-N 2 0 225.380 1.378 20 0 BDADRP C[C@H](N[C@H]1CCC[C@@H]([NH+](C)C)C1)[C@H]1CCC[NH2+]1 ZINC000422841180 387733254 /nfs/dbraw/zinc/73/32/54/387733254.db2.gz VKHMEIBIUJSVBG-IGQOVBAYSA-N 2 0 239.407 1.589 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])C1(C)C ZINC000422850834 387734876 /nfs/dbraw/zinc/73/48/76/387734876.db2.gz OFDPRBHWTTVWKQ-CHWFTXMASA-N 2 0 214.353 1.515 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1(C)C ZINC000422852700 387739054 /nfs/dbraw/zinc/73/90/54/387739054.db2.gz RDBQETJDAOUJQK-GJHMDTBVSA-N 2 0 238.375 1.673 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000422891043 387762208 /nfs/dbraw/zinc/76/22/08/387762208.db2.gz ULVRHFXNTYXEDE-XQHKEYJVSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@@H]([NH3+])C[NH2+][C@@H](C)CCc1n[nH]c2ccccc21 ZINC000643527370 387763262 /nfs/dbraw/zinc/76/32/62/387763262.db2.gz LRMOMODDCXJDJM-MNOVXSKESA-N 2 0 246.358 1.821 20 0 BDADRP CC[C@@H](O)CC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422895650 387766241 /nfs/dbraw/zinc/76/62/41/387766241.db2.gz WMEBMSFHPXKYEP-HTAVTVPLSA-N 2 0 214.353 1.255 20 0 BDADRP Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cn1 ZINC000422904418 387767444 /nfs/dbraw/zinc/76/74/44/387767444.db2.gz XKJNFFXXYVPFIQ-MWLCHTKSSA-N 2 0 207.321 1.605 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000422919080 387775827 /nfs/dbraw/zinc/77/58/27/387775827.db2.gz JCVKUIVSMMOBGV-DCAQKATOSA-N 2 0 241.379 1.101 20 0 BDADRP CC[C@@H](O)CCC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422923813 387777113 /nfs/dbraw/zinc/77/71/13/387777113.db2.gz SPHQPHVFBSXHKP-UPJWGTAASA-N 2 0 228.380 1.658 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+][C@@H](C)CCCCO ZINC000643529759 387777826 /nfs/dbraw/zinc/77/78/26/387777826.db2.gz BFJPJZRIACVNIL-WDEREUQCSA-N 2 0 202.342 1.125 20 0 BDADRP COCCOC[C@@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422926043 387778820 /nfs/dbraw/zinc/77/88/20/387778820.db2.gz VZDQWCVSBMZANS-PNESKVBLSA-N 2 0 244.379 1.145 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCC(C)(C)C ZINC000422925924 387779188 /nfs/dbraw/zinc/77/91/88/387779188.db2.gz BWUJKIULOOOYEQ-SRVKXCTJSA-N 2 0 228.380 1.765 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCOCC(F)(F)F ZINC000422931558 387781389 /nfs/dbraw/zinc/78/13/89/387781389.db2.gz XUOCWPFABBTSIQ-YUMQZZPRSA-N 2 0 228.258 1.281 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCSCCCO ZINC000422979542 387788794 /nfs/dbraw/zinc/78/87/94/387788794.db2.gz MZWDHGJMAMUVJU-NEPJUHHUSA-N 2 0 246.420 1.352 20 0 BDADRP CS[C@H](CO)[C@@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422977101 387789025 /nfs/dbraw/zinc/78/90/25/387789025.db2.gz JLXCRKCHAWZTFP-HBIQZDMRSA-N 2 0 246.420 1.206 20 0 BDADRP CCC[N@@H+]1CC[C@H](CN[C@@H](C)C[C@H](C)[NH3+])C1 ZINC000422977961 387789388 /nfs/dbraw/zinc/78/93/88/387789388.db2.gz YCSPWTSFLOUIPL-RWMBFGLXSA-N 2 0 227.396 1.434 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)Cc1ccc(O)cc1)C1C[NH2+]C1 ZINC000422980549 387790752 /nfs/dbraw/zinc/79/07/52/387790752.db2.gz QINNTZBMFTUPEA-WDEREUQCSA-N 2 0 234.343 1.521 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCSCCCO ZINC000422979545 387791385 /nfs/dbraw/zinc/79/13/85/387791385.db2.gz MZWDHGJMAMUVJU-VXGBXAGGSA-N 2 0 246.420 1.352 20 0 BDADRP Cc1ccc(CC[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000422980077 387792072 /nfs/dbraw/zinc/79/20/72/387792072.db2.gz KRZXTWPFZAIZKY-GFCCVEGCSA-N 2 0 218.344 1.735 20 0 BDADRP Cc1ccc(CC[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000422980078 387792483 /nfs/dbraw/zinc/79/24/83/387792483.db2.gz KRZXTWPFZAIZKY-LBPRGKRZSA-N 2 0 218.344 1.735 20 0 BDADRP CC(C)CC[C@](C)(O)C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422983520 387793240 /nfs/dbraw/zinc/79/32/40/387793240.db2.gz ZTQFHDJPWAXFFP-AVGNSLFASA-N 2 0 228.380 1.643 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCCOC2)CC[N@@H+]1C ZINC000527929297 387794384 /nfs/dbraw/zinc/79/43/84/387794384.db2.gz PKMASZMFVRPQQS-HZSPNIEDSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCc1ccc(O)cc1 ZINC000422985285 387795085 /nfs/dbraw/zinc/79/50/85/387795085.db2.gz CYPHNEQCSYXBDR-MNOVXSKESA-N 2 0 222.332 1.650 20 0 BDADRP CC(C)N1C[C@H]([NH2+][C@H](C)CCC[NH3+])[C@@H](C)C1 ZINC000422987106 387795323 /nfs/dbraw/zinc/79/53/23/387795323.db2.gz FFAGDCFJLOKWBK-XQQFMLRXSA-N 2 0 227.396 1.432 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCc1ccc(O)cc1 ZINC000422985287 387796026 /nfs/dbraw/zinc/79/60/26/387796026.db2.gz CYPHNEQCSYXBDR-WDEREUQCSA-N 2 0 222.332 1.650 20 0 BDADRP COCCC1(C[NH2+]C2CCC(C[NH3+])CC2)CC1 ZINC000422986682 387796550 /nfs/dbraw/zinc/79/65/50/387796550.db2.gz DEXGJTRXHZHOKF-UHFFFAOYSA-N 2 0 240.391 1.910 20 0 BDADRP CC(C)[C@H](O)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422984289 387796601 /nfs/dbraw/zinc/79/66/01/387796601.db2.gz AFGRSLGXDSVHIY-HTAVTVPLSA-N 2 0 214.353 1.110 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCCC(C)(C)CO ZINC000422989717 387797721 /nfs/dbraw/zinc/79/77/21/387797721.db2.gz BGEWDJPQRQCFMH-CHWSQXEVSA-N 2 0 242.407 1.763 20 0 BDADRP CCO[C@@]1(C)C[C@H]1[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000527975239 387813152 /nfs/dbraw/zinc/81/31/52/387813152.db2.gz SKACMEXZNXQANE-MRTXSQPYSA-N 2 0 240.391 1.872 20 0 BDADRP Cc1ccc(NCc2cncn2C)nc1 ZINC000157450072 387799088 /nfs/dbraw/zinc/79/90/88/387799088.db2.gz SJOVDWNHKRQDIL-UHFFFAOYSA-N 2 0 202.261 1.736 20 0 BDADRP COCCC1(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000422992079 387800752 /nfs/dbraw/zinc/80/07/52/387800752.db2.gz QQONRAFHMUEMQC-STQMWFEESA-N 2 0 240.391 1.781 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000423001242 387804363 /nfs/dbraw/zinc/80/43/63/387804363.db2.gz DIRPBVWDSLQMJO-AAVRWANBSA-N 2 0 240.391 1.645 20 0 BDADRP C[C@@H]([NH2+][C@H](CCO)C1CCCCC1)C1C[NH2+]C1 ZINC000423001531 387805821 /nfs/dbraw/zinc/80/58/21/387805821.db2.gz DVHOBCQRAGWRFQ-BXUZGUMPSA-N 2 0 240.391 1.515 20 0 BDADRP CC[N@H+](CCN[C@H]1C[NH2+]CC[C@@H]1C)C1CC1 ZINC000422882462 387757571 /nfs/dbraw/zinc/75/75/71/387757571.db2.gz SIRKYMFUGKFYFP-AAEUAGOBSA-N 2 0 225.380 1.058 20 0 BDADRP CC(C)[N@@H+](C)CCN[C@@H](C)C[C@@H](C)[NH3+] ZINC000422880425 387757754 /nfs/dbraw/zinc/75/77/54/387757754.db2.gz OBCGODZNFONGFB-MNOVXSKESA-N 2 0 201.358 1.042 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)[NH3+])C1(CC)CC ZINC000643526635 387758862 /nfs/dbraw/zinc/75/88/62/387758862.db2.gz CQVIHYBTMKDOHI-IJLUTSLNSA-N 2 0 228.380 1.907 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)cn1 ZINC000422889167 387759817 /nfs/dbraw/zinc/75/98/17/387759817.db2.gz FJCMJBSYITZUBH-SKDRFNHKSA-N 2 0 223.295 1.438 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)[NH3+])C12CCC2 ZINC000643526969 387760190 /nfs/dbraw/zinc/76/01/90/387760190.db2.gz IAUOIHKNGCPNDX-HBNTYKKESA-N 2 0 212.337 1.271 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)[C@@H]1CCC[NH2+]1 ZINC000422887635 387760245 /nfs/dbraw/zinc/76/02/45/387760245.db2.gz LDBZJGHUGZUBTD-QSLWVIQJSA-N 2 0 238.375 1.674 20 0 BDADRP C[C@@H]([NH3+])C[NH2+][C@H](C)C1CCSCC1 ZINC000643526743 387760403 /nfs/dbraw/zinc/76/04/03/387760403.db2.gz FRPVBXPTHQIWLC-RKDXNWHRSA-N 2 0 202.367 1.455 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)[NH3+])C12CCC2 ZINC000643526967 387761108 /nfs/dbraw/zinc/76/11/08/387761108.db2.gz IAUOIHKNGCPNDX-GARJFASQSA-N 2 0 212.337 1.271 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)cn1 ZINC000422889165 387761575 /nfs/dbraw/zinc/76/15/75/387761575.db2.gz FJCMJBSYITZUBH-CABZTGNLSA-N 2 0 223.295 1.438 20 0 BDADRP C[C@H]([NH3+])CN(C)[C@@H](CCO)c1ccccc1 ZINC000442667422 387819869 /nfs/dbraw/zinc/81/98/69/387819869.db2.gz ZQOYZQACKYZDSV-AAEUAGOBSA-N 2 0 222.332 1.389 20 0 BDADRP CCC[N@@H+]1CC[C@@H](CN[C@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000422975086 387823378 /nfs/dbraw/zinc/82/33/78/387823378.db2.gz SHROYWZXLZCQRG-RDBSUJKOSA-N 2 0 239.407 1.448 20 0 BDADRP CCOCCC1(C[NH2+][C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000423004024 387826421 /nfs/dbraw/zinc/82/64/21/387826421.db2.gz OCCVVRQQHRAEDR-STQMWFEESA-N 2 0 240.391 1.910 20 0 BDADRP CCC(CC)(CO)C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000423003232 387827278 /nfs/dbraw/zinc/82/72/78/387827278.db2.gz LDHAIHYEFQKOGK-MNOVXSKESA-N 2 0 214.353 1.255 20 0 BDADRP C[NH2+]Cc1ccccc1NC(=O)[C@@H](C[NH3+])C(C)C ZINC000433159826 387873067 /nfs/dbraw/zinc/87/30/67/387873067.db2.gz MXNGEZYVZZFNMP-LBPRGKRZSA-N 2 0 249.358 1.575 20 0 BDADRP COC[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc(C)o1 ZINC000423005886 387828439 /nfs/dbraw/zinc/82/84/39/387828439.db2.gz NLXKHBJQFBZIOP-CMPLNLGQSA-N 2 0 240.347 1.993 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1CCC[C@H](O)C1)[C@@H]1CCC[NH2+]1 ZINC000423006059 387828970 /nfs/dbraw/zinc/82/89/70/387828970.db2.gz NVDGMAOUVPZCRZ-XUXIUFHCSA-N 2 0 240.391 1.658 20 0 BDADRP CC(C)c1nnc([C@H](C)[NH2+][C@H](C)CCC[NH3+])[nH]1 ZINC000423009143 387832344 /nfs/dbraw/zinc/83/23/44/387832344.db2.gz CHPFACCDWYEZSM-ZJUUUORDSA-N 2 0 239.367 1.706 20 0 BDADRP CC[C@H]([NH2+]CCOCC[NH+](C)C)[C@H]1C[C@@H]1C ZINC000322059548 387873491 /nfs/dbraw/zinc/87/34/91/387873491.db2.gz QWEJEBMYHBZSNW-AVGNSLFASA-N 2 0 228.380 1.589 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCSCC(F)(F)F ZINC000423016850 387841454 /nfs/dbraw/zinc/84/14/54/387841454.db2.gz NKFJQKVYIVKMSN-HTQZYQBOSA-N 2 0 242.310 1.751 20 0 BDADRP CN(C)c1cccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])n1 ZINC000423017015 387842068 /nfs/dbraw/zinc/84/20/68/387842068.db2.gz VGHXZAWHLRIZJO-AAEUAGOBSA-N 2 0 248.374 1.365 20 0 BDADRP C[C@H](CCN[C@H]1CCC[C@@H]1[NH3+])[NH+]1CCCCC1 ZINC000423026155 387843292 /nfs/dbraw/zinc/84/32/92/387843292.db2.gz ARYZCBTVXQFRSQ-RDBSUJKOSA-N 2 0 239.407 1.720 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CCCO1)[C@@H]1CCCC[NH2+]1 ZINC000643459592 387847722 /nfs/dbraw/zinc/84/77/22/387847722.db2.gz BOBQNOIPWIPAHO-UPJWGTAASA-N 2 0 226.364 1.676 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CCCCS1 ZINC000423032368 387848151 /nfs/dbraw/zinc/84/81/51/387848151.db2.gz MHCRAJMVTXDBEE-DCAQKATOSA-N 2 0 216.394 1.988 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CCCCS1 ZINC000423032369 387848500 /nfs/dbraw/zinc/84/85/00/387848500.db2.gz MHCRAJMVTXDBEE-GARJFASQSA-N 2 0 216.394 1.988 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000423036462 387850736 /nfs/dbraw/zinc/85/07/36/387850736.db2.gz UBNAFXKIAGYCOT-BJDJZHNGSA-N 2 0 214.353 1.124 20 0 BDADRP C[NH+](C)CC1(CN[C@H]2CCC[C@@H]2[NH3+])CCCC1 ZINC000423035460 387851715 /nfs/dbraw/zinc/85/17/15/387851715.db2.gz JNJDQIJOKYENEL-STQMWFEESA-N 2 0 239.407 1.578 20 0 BDADRP CCC(CC)(C[NH2+][C@@H]1CCC[C@@H]1[NH3+])C(=O)OC ZINC000423038467 387853863 /nfs/dbraw/zinc/85/38/63/387853863.db2.gz OKBJYIHGIQMTBF-WDEREUQCSA-N 2 0 242.363 1.435 20 0 BDADRP CC1=CC[N@H+](CCN[C@@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000423038797 387854114 /nfs/dbraw/zinc/85/41/14/387854114.db2.gz PCHZKHFUSLQBTD-UONOGXRCSA-N 2 0 237.391 1.369 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)[C@@H]1CCCO1 ZINC000643535391 387855009 /nfs/dbraw/zinc/85/50/09/387855009.db2.gz LOOFSFZOZPOSMK-SDDRHHMPSA-N 2 0 224.348 1.286 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC000423042330 387855022 /nfs/dbraw/zinc/85/50/22/387855022.db2.gz KPKBOVWUEJUPMK-TUAOUCFPSA-N 2 0 212.337 1.415 20 0 BDADRP COc1ncccc1CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193638786 387859715 /nfs/dbraw/zinc/85/97/15/387859715.db2.gz XUWZOADRYYTYKE-BETUJISGSA-N 2 0 247.342 1.084 20 0 BDADRP CC(C)O[C@@H]1C[C@H]([NH2+][C@H](C)C2C[NH2+]C2)C1(C)C ZINC000423051321 387860383 /nfs/dbraw/zinc/86/03/83/387860383.db2.gz NPDLLDHTEUTLDP-KGYLQXTDSA-N 2 0 240.391 1.776 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCOCC(F)F ZINC000423072907 387874454 /nfs/dbraw/zinc/87/44/54/387874454.db2.gz QNLSFAUEDXHHMX-NXEZZACHSA-N 2 0 236.306 1.518 20 0 BDADRP COC[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)C(C)C ZINC000643535093 387861798 /nfs/dbraw/zinc/86/17/98/387861798.db2.gz IYGJKELYLYARGN-NEPJUHHUSA-N 2 0 226.364 1.389 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000423003096 387862168 /nfs/dbraw/zinc/86/21/68/387862168.db2.gz GXMKXSXESSLCGA-FDYHWXHSSA-N 2 0 226.364 1.255 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@H](CCO)c1ccco1 ZINC000423055952 387862495 /nfs/dbraw/zinc/86/24/95/387862495.db2.gz XHFYWTOULOTGIC-NWDGAFQWSA-N 2 0 240.347 1.810 20 0 BDADRP COC[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)C1CC1 ZINC000643535250 387863278 /nfs/dbraw/zinc/86/32/78/387863278.db2.gz LBXPQKBYMRNTQX-NEPJUHHUSA-N 2 0 224.348 1.143 20 0 BDADRP CO[C@H](C)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000423060862 387865133 /nfs/dbraw/zinc/86/51/33/387865133.db2.gz PLUIAEQEDVWPDV-KPPDAEKUSA-N 2 0 200.326 1.128 20 0 BDADRP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000423060915 387866067 /nfs/dbraw/zinc/86/60/67/387866067.db2.gz PSQDXARLKGIDGM-QLFBSQMISA-N 2 0 248.370 1.368 20 0 BDADRP C[C@H](Cc1ccoc1)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643536228 387867402 /nfs/dbraw/zinc/86/74/02/387867402.db2.gz OQHYONDNWHVRBW-YPMHNXCESA-N 2 0 234.343 1.942 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@@H]12)[C@H]1CCCC[NH2+]1 ZINC000423062121 387867679 /nfs/dbraw/zinc/86/76/79/387867679.db2.gz SMKNEUGHOXZNDK-ODXJTPSBSA-N 2 0 238.375 1.674 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCC(C)(C)O ZINC000423064116 387868442 /nfs/dbraw/zinc/86/84/42/387868442.db2.gz QLWBGTGPLRCGTC-WDEREUQCSA-N 2 0 214.353 1.125 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccn(C)n1 ZINC000643537041 387871603 /nfs/dbraw/zinc/87/16/03/387871603.db2.gz YISXSUGZUCESOL-WCQYABFASA-N 2 0 248.374 1.603 20 0 BDADRP CC[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccn(C)n1 ZINC000643537042 387871752 /nfs/dbraw/zinc/87/17/52/387871752.db2.gz YISXSUGZUCESOL-YPMHNXCESA-N 2 0 248.374 1.603 20 0 BDADRP CC(C)(C)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433145844 387872166 /nfs/dbraw/zinc/87/21/66/387872166.db2.gz JHSMGFMSOJRACT-UHFFFAOYSA-N 2 0 241.379 1.104 20 0 BDADRP CCO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000527974813 387813770 /nfs/dbraw/zinc/81/37/70/387813770.db2.gz PLNMPGXTBXXCCO-DGAVXFQQSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@H]([NH3+])CN(CCO)[C@@H]1CCc2ccccc21 ZINC000442659073 387813867 /nfs/dbraw/zinc/81/38/67/387813867.db2.gz ARGNDOZCTKVJBJ-SMDDNHRTSA-N 2 0 234.343 1.315 20 0 BDADRP CC[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000422964884 387813968 /nfs/dbraw/zinc/81/39/68/387813968.db2.gz MYWUHQHYJYPNBQ-BFHYXJOUSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H]([NH3+])CN1CC[C@H](Cc2ccccc2)C1 ZINC000442659427 387815342 /nfs/dbraw/zinc/81/53/42/387815342.db2.gz KMUBIIRZYIBXAK-TZMCWYRMSA-N 2 0 218.344 1.898 20 0 BDADRP CCNC(=O)C(C)(C)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000422970363 387819219 /nfs/dbraw/zinc/81/92/19/387819219.db2.gz WDXLPMFUCCKKED-NSHDSACASA-N 2 0 243.395 1.256 20 0 BDADRP C[N@H+]1C[C@@H]2C[NH+](C[C@H]3CC=CCC3)C[C@@H]2C1 ZINC000194539420 387890808 /nfs/dbraw/zinc/89/08/08/387890808.db2.gz MCZKIKLFKAQWFA-MELADBBJSA-N 2 0 220.360 1.836 20 0 BDADRP C[C@H]([NH2+]C[C@@H](CO)CC1CCCC1)C1C[NH2+]C1 ZINC000423105566 387891798 /nfs/dbraw/zinc/89/17/98/387891798.db2.gz QULBNGUEXVFMNO-AAEUAGOBSA-N 2 0 240.391 1.373 20 0 BDADRP CC[C@H]([NH2+]C[C@H](CO)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000423111182 387893686 /nfs/dbraw/zinc/89/36/86/387893686.db2.gz QDOKYMNMJLETBX-AGIUHOORSA-N 2 0 228.380 1.371 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCC[C@H]1C ZINC000423109260 387893926 /nfs/dbraw/zinc/89/39/26/387893926.db2.gz URSSJXMGGNYMNO-BJJPWKGXSA-N 2 0 240.391 1.765 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCCOC(F)F ZINC000423109513 387894201 /nfs/dbraw/zinc/89/42/01/387894201.db2.gz HKQBTLZGQFIBHT-VHSXEESVSA-N 2 0 236.306 1.865 20 0 BDADRP COCC1(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)CCC1 ZINC000423113187 387895684 /nfs/dbraw/zinc/89/56/84/387895684.db2.gz KLSDIPFLCAPXIC-CHWSQXEVSA-N 2 0 240.391 1.781 20 0 BDADRP CCOC[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)C(C)C ZINC000423074061 387875300 /nfs/dbraw/zinc/87/53/00/387875300.db2.gz TVGSSFQMPUAVRL-CMPLNLGQSA-N 2 0 214.353 1.245 20 0 BDADRP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000423080330 387876088 /nfs/dbraw/zinc/87/60/88/387876088.db2.gz AAHXKGZGNUVVKJ-NNYUYHANSA-N 2 0 240.347 1.045 20 0 BDADRP C[C@H](NC[C@@H]1[N@H+](C)CCCC1(C)C)C1C[NH2+]C1 ZINC000423085180 387879051 /nfs/dbraw/zinc/87/90/51/387879051.db2.gz JYAFECFJMMQXIN-AAEUAGOBSA-N 2 0 239.407 1.304 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]C[C@@H]1N(C)CCCC1(C)C ZINC000423086474 387880587 /nfs/dbraw/zinc/88/05/87/387880587.db2.gz NESHKKSOUXEMAQ-STQMWFEESA-N 2 0 241.423 1.824 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000423086402 387880851 /nfs/dbraw/zinc/88/08/51/387880851.db2.gz LYFGPYVUCODJTD-LBPRGKRZSA-N 2 0 240.391 1.646 20 0 BDADRP C[C@H]([NH2+]CC1(CO)CC2(CCC2)C1)C1C[NH2+]C1 ZINC000423087682 387880918 /nfs/dbraw/zinc/88/09/18/387880918.db2.gz OPPPPNYFGYFMBC-NSHDSACASA-N 2 0 238.375 1.127 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1CCOC[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423116065 387898506 /nfs/dbraw/zinc/89/85/06/387898506.db2.gz ZKBFSTWKUFASRD-CRWXNKLISA-N 2 0 240.391 1.779 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCN1CC=CCC1 ZINC000423092569 387882777 /nfs/dbraw/zinc/88/27/77/387882777.db2.gz CKECKUNGSWDBOS-UONOGXRCSA-N 2 0 237.391 1.498 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCN1CC=CCC1 ZINC000423092568 387883514 /nfs/dbraw/zinc/88/35/14/387883514.db2.gz CKECKUNGSWDBOS-KGLIPLIRSA-N 2 0 237.391 1.498 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000423098511 387886771 /nfs/dbraw/zinc/88/67/71/387886771.db2.gz CYSIRUYQPNAJKG-CHWSQXEVSA-N 2 0 244.342 1.575 20 0 BDADRP CCC[N@@H+]1CCC[C@H]1CN[C@H]1CCC[C@@H]1C[NH3+] ZINC000423104222 387888549 /nfs/dbraw/zinc/88/85/49/387888549.db2.gz GWGVPDXYXLOEDS-RDBSUJKOSA-N 2 0 239.407 1.578 20 0 BDADRP COc1ncccc1CC[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000423141057 387918036 /nfs/dbraw/zinc/91/80/36/387918036.db2.gz NSKDUTSLHDVZPK-AAEUAGOBSA-N 2 0 249.358 1.220 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCCCC[NH+]1CCCC1 ZINC000423140183 387918150 /nfs/dbraw/zinc/91/81/50/387918150.db2.gz XQJLCJRLNNXFNL-KGLIPLIRSA-N 3 0 241.423 1.968 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000423140391 387918298 /nfs/dbraw/zinc/91/82/98/387918298.db2.gz YBTJDIRWOAUDOP-MNOVXSKESA-N 2 0 237.347 1.955 20 0 BDADRP COc1ncccc1CC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000423141704 387918686 /nfs/dbraw/zinc/91/86/86/387918686.db2.gz RJWGSVZTFQWCLO-STQMWFEESA-N 2 0 249.358 1.350 20 0 BDADRP CCC[N@@H+]1CCC[C@H]1CN[C@@H]1CCC[C@H]1[NH3+] ZINC000423115941 387899434 /nfs/dbraw/zinc/89/94/34/387899434.db2.gz ZBXBHQWHMJXBMF-YNEHKIRRSA-N 2 0 225.380 1.330 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@H](F)C1)[C@@H]1CCCC[NH2+]1 ZINC000423120089 387900294 /nfs/dbraw/zinc/90/02/94/387900294.db2.gz GEDONRQCRDQJGM-YFKTTZPYSA-N 2 0 214.328 1.997 20 0 BDADRP F[C@@H]1CC[C@H]([NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000423123280 387903476 /nfs/dbraw/zinc/90/34/76/387903476.db2.gz KXPJWHHWZCIBJZ-VWYCJHECSA-N 2 0 200.301 1.609 20 0 BDADRP CCC[C@H](C)C(=O)NCC[NH2+][C@@H](C)CCC[NH3+] ZINC000423126900 387905816 /nfs/dbraw/zinc/90/58/16/387905816.db2.gz JGHGLPHZAISOTE-RYUDHWBXSA-N 2 0 243.395 1.256 20 0 BDADRP CCCCN(C)C[C@@H](C)[NH2+][C@@H](C)CCC[NH3+] ZINC000423125479 387905970 /nfs/dbraw/zinc/90/59/70/387905970.db2.gz QQCSRWJZINVWKG-QWHCGFSZSA-N 2 0 229.412 1.824 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000423130988 387907713 /nfs/dbraw/zinc/90/77/13/387907713.db2.gz HIZQBVKTZJGBOT-ZIAGYGMSSA-N 3 0 239.407 1.722 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCCF ZINC000423132120 387909316 /nfs/dbraw/zinc/90/93/16/387909316.db2.gz BORCZYCRWRYQGM-MNOVXSKESA-N 2 0 202.317 1.714 20 0 BDADRP COCC(C)(C)C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000423134010 387912022 /nfs/dbraw/zinc/91/20/22/387912022.db2.gz REDYHAWIIDXISZ-NXEZZACHSA-N 2 0 200.326 1.128 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCC1(F)CCC1 ZINC000423134075 387912728 /nfs/dbraw/zinc/91/27/28/387912728.db2.gz WJCCYZKNHGWJST-VHSXEESVSA-N 2 0 200.301 1.738 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000423138381 387916014 /nfs/dbraw/zinc/91/60/14/387916014.db2.gz JEBGUOBKIARBBH-HBNTYKKESA-N 2 0 202.342 1.517 20 0 BDADRP CCC[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)OC ZINC000423142698 387919726 /nfs/dbraw/zinc/91/97/26/387919726.db2.gz BFMPDWANDRQTTK-YNEHKIRRSA-N 2 0 228.380 1.779 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)[C@@H]1CCC[NH2+]1 ZINC000423151015 387929283 /nfs/dbraw/zinc/92/92/83/387929283.db2.gz CJPFSDRMOHPKLP-NDBYEHHHSA-N 2 0 226.364 1.268 20 0 BDADRP CC[C@H]([NH2+]CCC[C@H]1CCOC1)[C@@H]1CCC[NH2+]1 ZINC000423151436 387929376 /nfs/dbraw/zinc/92/93/76/387929376.db2.gz DEWWFGUAVIAPQU-IHRRRGAJSA-N 2 0 240.391 1.923 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000423151250 387930323 /nfs/dbraw/zinc/93/03/23/387930323.db2.gz CEZKPZRAOFFUHZ-FVCCEPFGSA-N 2 0 226.364 1.255 20 0 BDADRP Cc1cccnc1CCC[NH2+]C1CC[NH2+]CC1 ZINC000423152788 387931792 /nfs/dbraw/zinc/93/17/92/387931792.db2.gz MJKMBPIWUSSKJN-UHFFFAOYSA-N 2 0 233.359 1.664 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423153010 387932083 /nfs/dbraw/zinc/93/20/83/387932083.db2.gz MSKRHXHKTABGAT-GWOFURMSSA-N 2 0 200.326 1.269 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CCC[C@@H]1[NH3+])Cc1ccccc1 ZINC000423157268 387936945 /nfs/dbraw/zinc/93/69/45/387936945.db2.gz MJIFIOZBRMPQDZ-KKUMJFAQSA-N 2 0 248.370 1.714 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000423156510 387937013 /nfs/dbraw/zinc/93/70/13/387937013.db2.gz LBWSUOVLQNIXAT-AGIUHOORSA-N 2 0 228.380 1.787 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)N[C@@H]1CCC[C@@H]1[NH3+] ZINC000423144669 387920117 /nfs/dbraw/zinc/92/01/17/387920117.db2.gz ZJDCDAMNVSYKNE-RWMBFGLXSA-N 2 0 227.396 1.576 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](CO)C1CCCC1 ZINC000423144276 387920128 /nfs/dbraw/zinc/92/01/28/387920128.db2.gz YONFHGBUSGLXOT-JBLDHEPKSA-N 2 0 214.353 1.253 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@H](CO)C1CC1 ZINC000423144852 387921809 /nfs/dbraw/zinc/92/18/09/387921809.db2.gz ZRBQPCLHNQZGCL-JHJVBQTASA-N 2 0 226.364 1.255 20 0 BDADRP COC[C@H](C)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000237239088 387924655 /nfs/dbraw/zinc/92/46/55/387924655.db2.gz QVCIOHIRTQMYTA-LBPRGKRZSA-N 2 0 236.359 1.873 20 0 BDADRP Cc1ncsc1CC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423148413 387925593 /nfs/dbraw/zinc/92/55/93/387925593.db2.gz FVQCVTYTCKXLNR-DTWKUNHWSA-N 2 0 227.377 1.709 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000423147221 387925725 /nfs/dbraw/zinc/92/57/25/387925725.db2.gz RKYUIEFIACKBIF-KKOKHZNYSA-N 2 0 214.328 1.855 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)CCCCO)[C@@H]1CCCC[NH2+]1 ZINC000423149246 387926954 /nfs/dbraw/zinc/92/69/54/387926954.db2.gz AENNAGVZJURPFX-XQQFMLRXSA-N 2 0 228.380 1.658 20 0 BDADRP CCC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)OC ZINC000423149972 387927265 /nfs/dbraw/zinc/92/72/65/387927265.db2.gz YISPMJALBWWBRW-HNGCFSAESA-N 2 0 226.364 1.674 20 0 BDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCC[C@H]1O ZINC000423167034 387952211 /nfs/dbraw/zinc/95/22/11/387952211.db2.gz RUHMOQDRRYRKSS-AAVRWANBSA-N 2 0 240.391 1.800 20 0 BDADRP CC[C@H](O)[C@H](CC)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423168213 387952478 /nfs/dbraw/zinc/95/24/78/387952478.db2.gz XRNAWZRCIIRLIA-NAKRPEOUSA-N 2 0 202.342 1.251 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000423167339 387952575 /nfs/dbraw/zinc/95/25/75/387952575.db2.gz SDWYMJABGNGWHA-QNWHQSFQSA-N 2 0 226.364 1.804 20 0 BDADRP C[C@@H]([NH2+]CCC[C@@H]1CCOC1)[C@H]1CCC[NH2+]1 ZINC000423168199 387953059 /nfs/dbraw/zinc/95/30/59/387953059.db2.gz XPRADVCYWJSPAB-JHJVBQTASA-N 2 0 226.364 1.533 20 0 BDADRP COCC[C@H](C)C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000423167732 387953135 /nfs/dbraw/zinc/95/31/35/387953135.db2.gz FRRSZBOOCVAUCF-TUAOUCFPSA-N 2 0 214.353 1.376 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000423168471 387955367 /nfs/dbraw/zinc/95/53/67/387955367.db2.gz XZTCFHUNCSWIKR-DGAVXFQQSA-N 2 0 240.391 1.515 20 0 BDADRP Cc1ccc(CC[NH2+][C@H](C)CCC[NH3+])nc1 ZINC000423168879 387955443 /nfs/dbraw/zinc/95/54/43/387955443.db2.gz VENPVURMKPIPJR-GFCCVEGCSA-N 2 0 221.348 1.650 20 0 BDADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H]2[NH3+])C1 ZINC000423159195 387939700 /nfs/dbraw/zinc/93/97/00/387939700.db2.gz FMZTYCOWCVHJIY-USZNOCQGSA-N 2 0 212.337 1.412 20 0 BDADRP CC(C)[C@@H]1C[C@H]1C[NH2+][C@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000423160617 387941831 /nfs/dbraw/zinc/94/18/31/387941831.db2.gz ZWXHTINHIVUJIL-PEDHHIEDSA-N 2 0 240.391 1.620 20 0 BDADRP Cc1ccc(CC[NH2+][C@@H](C)C[C@H](C)[NH3+])nc1 ZINC000423162389 387943071 /nfs/dbraw/zinc/94/30/71/387943071.db2.gz KYWBNHQTKWTRKJ-RYUDHWBXSA-N 2 0 221.348 1.648 20 0 BDADRP CC[C@H]([NH2+]C[C@@H](C)CCCO)[C@@H]1CCC[NH2+]1 ZINC000423163148 387945516 /nfs/dbraw/zinc/94/55/16/387945516.db2.gz VATZJBUPTDIXQL-AVGNSLFASA-N 2 0 228.380 1.515 20 0 BDADRP CC1(C)COC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423165799 387947777 /nfs/dbraw/zinc/94/77/77/387947777.db2.gz UXSKDKOUNXTFAE-AYLPWXGPSA-N 2 0 224.348 1.284 20 0 BDADRP C[C@@H]([NH2+]C[C@@H](C)CCCO)[C@H]1CCCC[NH2+]1 ZINC000423166001 387950507 /nfs/dbraw/zinc/95/05/07/387950507.db2.gz YSWSZXKZAQTCKQ-YNEHKIRRSA-N 2 0 228.380 1.515 20 0 BDADRP COC1CCC([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000423172870 387959283 /nfs/dbraw/zinc/95/92/83/387959283.db2.gz VTTYYAPBDITQMH-YWPUVAFDSA-N 2 0 226.364 1.674 20 0 BDADRP COC1CCC([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000423172868 387959514 /nfs/dbraw/zinc/95/95/14/387959514.db2.gz VTTYYAPBDITQMH-WTIISPKJSA-N 2 0 226.364 1.674 20 0 BDADRP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccn(C)n1 ZINC000423172489 387959822 /nfs/dbraw/zinc/95/98/22/387959822.db2.gz TXAFBOUUTMWXFC-VOMCLLRMSA-N 2 0 236.363 1.588 20 0 BDADRP [NH3+]CCC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000423180060 387965478 /nfs/dbraw/zinc/96/54/78/387965478.db2.gz DWPXDGJDTGWBLQ-GHMZBOCLSA-N 2 0 202.317 1.843 20 0 BDADRP [NH3+]CCC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000423180063 387965777 /nfs/dbraw/zinc/96/57/77/387965777.db2.gz DWPXDGJDTGWBLQ-WDEREUQCSA-N 2 0 202.317 1.843 20 0 BDADRP [NH3+]CCC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000423180061 387966069 /nfs/dbraw/zinc/96/60/69/387966069.db2.gz DWPXDGJDTGWBLQ-MNOVXSKESA-N 2 0 202.317 1.843 20 0 BDADRP C[N@@H+]1CC[C@H](N[C@@H]2CCC[NH2+]C2)[C@@H]2CCC[C@@H]21 ZINC000423180075 387966458 /nfs/dbraw/zinc/96/64/58/387966458.db2.gz DYJPYWUVRHCKHM-RFGFWPKPSA-N 2 0 237.391 1.201 20 0 BDADRP CCc1cccnc1[C@@H](C)[NH2+]CCC[NH3+] ZINC000423181517 387967219 /nfs/dbraw/zinc/96/72/19/387967219.db2.gz FZTXFMZJZSNBRJ-SNVBAGLBSA-N 2 0 207.321 1.643 20 0 BDADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NCC[NH3+])C1 ZINC000423182373 387968163 /nfs/dbraw/zinc/96/81/63/387968163.db2.gz LPRQRUWFAPWAPZ-GXTWGEPZSA-N 2 0 233.359 1.370 20 0 BDADRP CC(C)n1cc([C@H](C)[NH2+]CCC[NH3+])cn1 ZINC000423185050 387969760 /nfs/dbraw/zinc/96/97/60/387969760.db2.gz UQPZKPOMFYBVHW-JTQLQIEISA-N 2 0 210.325 1.463 20 0 BDADRP COc1ccc([C@H](NCC[NH3+])[C@H]2CCC[NH2+]2)cc1 ZINC000423183677 387970077 /nfs/dbraw/zinc/97/00/77/387970077.db2.gz LORYNWVJSFZXDR-KGLIPLIRSA-N 2 0 249.358 1.037 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000423186638 387970906 /nfs/dbraw/zinc/97/09/06/387970906.db2.gz LIXRBNHXEJLXNH-JTQLQIEISA-N 2 0 236.315 1.675 20 0 BDADRP CCC1(CC)[C@@H]([NH2+]CCC[NH3+])C[C@@H]1OC ZINC000423190022 387972997 /nfs/dbraw/zinc/97/29/97/387972997.db2.gz NESLCJZIGLHLHK-QWRGUYRKSA-N 2 0 214.353 1.519 20 0 BDADRP COCC1CCC([NH2+][C@H]2CCC[C@H]2[NH3+])CC1 ZINC000423192824 387977611 /nfs/dbraw/zinc/97/76/11/387977611.db2.gz UZEKMTBUPZQHCD-TUUUFIMRSA-N 2 0 226.364 1.661 20 0 BDADRP [NH3+]CCC[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000423192593 387977816 /nfs/dbraw/zinc/97/78/16/387977816.db2.gz PTHYANITMKBCLN-FRRDWIJNSA-N 2 0 226.364 1.520 20 0 BDADRP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423202601 387988310 /nfs/dbraw/zinc/98/83/10/387988310.db2.gz BCUPMWWTDATXNN-HZSPNIEDSA-N 2 0 240.391 1.781 20 0 BDADRP CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])[C@@H]1CCOC1 ZINC000424370899 387995848 /nfs/dbraw/zinc/99/58/48/387995848.db2.gz DYYAJPBJUJIDGE-FDYHWXHSSA-N 2 0 226.364 1.661 20 0 BDADRP C(CN1CC[NH2+]CC1)[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000423206345 387991667 /nfs/dbraw/zinc/99/16/67/387991667.db2.gz QNBBOTZXQWFNIW-KBPBESRZSA-N 2 0 237.391 1.060 20 0 BDADRP CC(C)[C@H]1CCC[N@@H+]1CCOCC[NH3+] ZINC000086435906 135084169 /nfs/dbraw/zinc/08/41/69/135084169.db2.gz FIWANSGFDNYDJD-LLVKDONJSA-N 2 0 200.326 1.082 20 0 BDADRP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[NH2+]C1 ZINC000423207737 387993893 /nfs/dbraw/zinc/99/38/93/387993893.db2.gz DJSMQJHWLUEVMV-TUAOUCFPSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H](c1nc(C2([NH3+])CCCCC2)no1)[C@H](C)[NH3+] ZINC000424340735 387982456 /nfs/dbraw/zinc/98/24/56/387982456.db2.gz HITHXXVGQQYIKN-BDAKNGLRSA-N 2 0 238.335 1.638 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]CCC[NH2+]C)C12CCC2 ZINC000423197677 387984732 /nfs/dbraw/zinc/98/47/32/387984732.db2.gz ANWMBBUFCMRWMQ-NWDGAFQWSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]1C[C@@H](N[C@@H]2CCCC[C@H]2[NH3+])C[N@@H+]1C1CC1 ZINC000424371334 387997458 /nfs/dbraw/zinc/99/74/58/387997458.db2.gz FUPJNEBRRXIZKG-HBJVGIJOSA-N 2 0 237.391 1.471 20 0 BDADRP C1CC1[C@H]([NH2+][C@H]1CC[NH2+]C1)C1CCCC1 ZINC000423213463 387998444 /nfs/dbraw/zinc/99/84/44/387998444.db2.gz LHQJLXAMYMAXEO-QWHCGFSZSA-N 2 0 208.349 1.907 20 0 BDADRP COC[C@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)C(C)C ZINC000156551947 387998593 /nfs/dbraw/zinc/99/85/93/387998593.db2.gz FQEGEXYBEFFCNQ-AGIUHOORSA-N 2 0 228.380 1.730 20 0 BDADRP c1cnn(CC[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420405898 387998732 /nfs/dbraw/zinc/99/87/32/387998732.db2.gz UESZNRORZXTEIS-UONOGXRCSA-N 2 0 248.374 1.347 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424375173 387998812 /nfs/dbraw/zinc/99/88/12/387998812.db2.gz MMZXZBLTMTXJBH-FMKGYKFTSA-N 2 0 237.391 1.329 20 0 BDADRP C[C@H](Cc1cnccn1)[NH2+][C@@H]1CCCN(C)[C@H]1C ZINC000453195193 388005857 /nfs/dbraw/zinc/00/58/57/388005857.db2.gz PENRRDRYOSRWKG-MBNYWOFBSA-N 2 0 248.374 1.480 20 0 BDADRP C[C@H]([NH3+])CCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423225425 388007066 /nfs/dbraw/zinc/00/70/66/388007066.db2.gz MTURYUYKWFQINF-BIMULSAOSA-N 2 0 219.332 1.458 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]CC[C@H](C)[NH3+])C12CCC2 ZINC000423225752 388008423 /nfs/dbraw/zinc/00/84/23/388008423.db2.gz OCGYXMWBMMWAOU-SDDRHHMPSA-N 2 0 226.364 1.661 20 0 BDADRP C[NH2+]CCC[N@H+](C)CC[C@@H]1CCCCO1 ZINC000420397654 387996725 /nfs/dbraw/zinc/99/67/25/387996725.db2.gz XSXJJXFCXUFBSG-LBPRGKRZSA-N 2 0 214.353 1.487 20 0 BDADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+]CC[C@H](C)[NH3+] ZINC000423241470 388025100 /nfs/dbraw/zinc/02/51/00/388025100.db2.gz XTIUISSYXUOQSW-NWDGAFQWSA-N 2 0 249.358 1.731 20 0 BDADRP CCn1cc([C@@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cn1 ZINC000423242716 388025500 /nfs/dbraw/zinc/02/55/00/388025500.db2.gz FTCHSHKPXSABCU-NEPJUHHUSA-N 2 0 236.363 1.553 20 0 BDADRP CC[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](C)COC)C1 ZINC000309671743 388011571 /nfs/dbraw/zinc/01/15/71/388011571.db2.gz WFZZUAOJLDDSHW-OLZOCXBDSA-N 2 0 228.380 1.590 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1cccc(O)c1 ZINC000423228108 388013907 /nfs/dbraw/zinc/01/39/07/388013907.db2.gz YDXKIZPGYKUXKY-UWVGGRQHSA-N 2 0 208.305 1.780 20 0 BDADRP CC[C@@H]([NH2+]C1CCC([NH3+])CC1)[C@@H]1CCC[NH2+]1 ZINC000423228573 388014044 /nfs/dbraw/zinc/01/40/44/388014044.db2.gz DCAVNEXASBIPFA-TUUUFIMRSA-N 3 0 225.380 1.377 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@@H]1CCC[NH2+]1 ZINC000423229382 388014901 /nfs/dbraw/zinc/01/49/01/388014901.db2.gz BCEGHWRUOSGYHV-FVCCEPFGSA-N 2 0 225.380 1.057 20 0 BDADRP C[NH2+]CCCN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000156650290 388016202 /nfs/dbraw/zinc/01/62/02/388016202.db2.gz RDUYKMCPYUXVCS-NWDGAFQWSA-N 2 0 213.369 1.010 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C[C@H]2CCCO2)CC[N@@H+]1C ZINC000453295610 388036949 /nfs/dbraw/zinc/03/69/49/388036949.db2.gz XNDPVXOEVNKIOQ-QJPTWQEYSA-N 2 0 212.337 1.238 20 0 BDADRP CC(C)C[C@H](C[NH3+])N[C@H](C)[C@H]1CCC[NH2+]1 ZINC000423258610 388038136 /nfs/dbraw/zinc/03/81/36/388038136.db2.gz CCOILPDVXYPRCN-IJLUTSLNSA-N 2 0 213.369 1.090 20 0 BDADRP C[C@@H](N[C@H](C[NH3+])C1CCCCC1)[C@H]1CCC[NH2+]1 ZINC000423258631 388038316 /nfs/dbraw/zinc/03/83/16/388038316.db2.gz CDWPYUOJIKYDTQ-MRVWCRGKSA-N 2 0 239.407 1.624 20 0 BDADRP COCC[C@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446884570 388042450 /nfs/dbraw/zinc/04/24/50/388042450.db2.gz PLNXATKXYCXNCQ-LBPRGKRZSA-N 2 0 240.391 1.875 20 0 BDADRP c1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)n[nH]1 ZINC000446886547 388043714 /nfs/dbraw/zinc/04/37/14/388043714.db2.gz ZYTLCHVMTOFZAN-UHFFFAOYSA-N 2 0 234.347 1.374 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccncc1 ZINC000423243530 388026968 /nfs/dbraw/zinc/02/69/68/388026968.db2.gz GLCJJRLQINSVFB-NEPJUHHUSA-N 2 0 219.332 1.732 20 0 BDADRP COCC1CCC([NH2+]CC[C@H]2CC[NH2+]C2)CC1 ZINC000423245730 388027845 /nfs/dbraw/zinc/02/78/45/388027845.db2.gz JHRVVNBIAAPXJP-IYXRBSQSSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)CN1C1CC1 ZINC000423245465 388027871 /nfs/dbraw/zinc/02/78/71/388027871.db2.gz IYHLTHHCWBZAOJ-UPJWGTAASA-N 2 0 237.391 1.201 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)CN1C1CC1 ZINC000423245463 388028448 /nfs/dbraw/zinc/02/84/48/388028448.db2.gz IYHLTHHCWBZAOJ-FRRDWIJNSA-N 2 0 237.391 1.201 20 0 BDADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000423273366 388052940 /nfs/dbraw/zinc/05/29/40/388052940.db2.gz KLKBNLSEOJITEF-LOWDOPEQSA-N 2 0 240.391 1.763 20 0 BDADRP C[C@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000083683316 388059124 /nfs/dbraw/zinc/05/91/24/388059124.db2.gz MMJPWRUCOVCUFQ-YUELXQCFSA-N 2 0 230.355 1.941 20 0 BDADRP CC[C@@H]([NH2+]CC(C)(C)[NH3+])C1(C(=O)OC)CCC1 ZINC000423281480 388063096 /nfs/dbraw/zinc/06/30/96/388063096.db2.gz BJVAUIUXBIIEED-SNVBAGLBSA-N 2 0 242.363 1.435 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)C1CCOCC1 ZINC000423284671 388067186 /nfs/dbraw/zinc/06/71/86/388067186.db2.gz YRGKTKIMAMHYRH-WDEREUQCSA-N 2 0 214.353 1.247 20 0 BDADRP COCc1cccc(C[NH2+]CCCC[NH3+])c1 ZINC000083968328 388068518 /nfs/dbraw/zinc/06/85/18/388068518.db2.gz BITQPSRJKRFZMX-UHFFFAOYSA-N 2 0 222.332 1.662 20 0 BDADRP CC(C)[C@H](Cn1cccn1)[NH2+]CC(C)(C)[NH3+] ZINC000423287487 388070847 /nfs/dbraw/zinc/07/08/47/388070847.db2.gz MPQNDEMWGACYOF-NSHDSACASA-N 2 0 224.352 1.235 20 0 BDADRP CCOC(=O)[C@H](CC)[NH+]1CCC(C[NH2+]C)CC1 ZINC000084105386 388071514 /nfs/dbraw/zinc/07/15/14/388071514.db2.gz ZZIWXDRXFZNHRY-LBPRGKRZSA-N 2 0 242.363 1.260 20 0 BDADRP CC(C)([NH3+])C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000423287350 388072086 /nfs/dbraw/zinc/07/20/86/388072086.db2.gz LROFVWNMKASFCE-GMTAPVOTSA-N 2 0 226.364 1.517 20 0 BDADRP CC(C)O[C@@H]1C[C@@H]([NH2+]CC(C)(C)[NH3+])C1(C)C ZINC000423287786 388073010 /nfs/dbraw/zinc/07/30/10/388073010.db2.gz OOMBPVNZSCXLPL-GHMZBOCLSA-N 2 0 228.380 1.905 20 0 BDADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC(C)(C)[NH3+])[C@H]1C ZINC000423287716 388073636 /nfs/dbraw/zinc/07/36/36/388073636.db2.gz NZTVBTHPKOKROI-DCAQKATOSA-N 2 0 242.363 1.291 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccnc1 ZINC000084215731 388073789 /nfs/dbraw/zinc/07/37/89/388073789.db2.gz CMAJMEOLUJCZDF-STQMWFEESA-N 2 0 219.332 1.689 20 0 BDADRP CCC([NH3+])(CC)CN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423290568 388074516 /nfs/dbraw/zinc/07/45/16/388074516.db2.gz DNUMWODLARAGHB-VXGBXAGGSA-N 2 0 227.396 1.624 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCc1cccnc1 ZINC000084219915 388074629 /nfs/dbraw/zinc/07/46/29/388074629.db2.gz ABSDZPVOZVRCTE-QWHCGFSZSA-N 2 0 219.332 1.341 20 0 BDADRP CCCC[C@@H](C[NH3+])N[C@@H](C)c1c[nH+]ccc1N ZINC000423293733 388076407 /nfs/dbraw/zinc/07/64/07/388076407.db2.gz AQMRIRDJLGIHBJ-QWRGUYRKSA-N 2 0 236.363 1.662 20 0 BDADRP CC[C@@H](NCC([NH3+])(CC)CC)[C@@H]1CCC[NH2+]1 ZINC000423295181 388076851 /nfs/dbraw/zinc/07/68/51/388076851.db2.gz WIPDSMUVFCUAJJ-NEPJUHHUSA-N 2 0 227.396 1.624 20 0 BDADRP CCC([NH3+])(CC)CN[C@@H](C)c1c[nH+]ccc1N ZINC000423295375 388076862 /nfs/dbraw/zinc/07/68/62/388076862.db2.gz WWTQJEZRFYSOQF-JTQLQIEISA-N 2 0 236.363 1.662 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000423297639 388079267 /nfs/dbraw/zinc/07/92/67/388079267.db2.gz LCNLVUUUYVVLGM-SCRDCRAPSA-N 2 0 239.407 1.576 20 0 BDADRP CC[C@H]([NH2+]C[C@H](C)C[NH3+])c1ccc(F)cn1 ZINC000423298487 388079879 /nfs/dbraw/zinc/07/98/79/388079879.db2.gz AEVVFADLBSSOQC-KOLCDFICSA-N 2 0 225.311 1.856 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423297773 388080216 /nfs/dbraw/zinc/08/02/16/388080216.db2.gz LUZRTBNYJCMJHA-FRRDWIJNSA-N 2 0 227.396 1.754 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cccnc2)CC1 ZINC000084691183 388080273 /nfs/dbraw/zinc/08/02/73/388080273.db2.gz LPNPWACMNNKINN-LLVKDONJSA-N 2 0 219.332 1.641 20 0 BDADRP C[NH+](C)[C@H](CN[C@H]1CC[NH2+]C1)c1cccs1 ZINC000086725526 388108233 /nfs/dbraw/zinc/10/82/33/388108233.db2.gz IIWNOHOMNFVYTP-WDEREUQCSA-N 2 0 239.388 1.302 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@@H](O)C1CCC1 ZINC000643493532 388109705 /nfs/dbraw/zinc/10/97/05/388109705.db2.gz VFAPUHXEJKPVCE-JHJVBQTASA-N 2 0 226.364 1.397 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423271202 388050007 /nfs/dbraw/zinc/05/00/07/388050007.db2.gz IRVFAHIPWQMOKB-QWHCGFSZSA-N 3 0 227.396 1.483 20 0 BDADRP COC[C@@H]([NH2+]CCC[NH+]1CCCC1)C(C)C ZINC000083399760 388050809 /nfs/dbraw/zinc/05/08/09/388050809.db2.gz MNBPSECKIWKEIN-CYBMUJFWSA-N 2 0 228.380 1.733 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000449084255 388140375 /nfs/dbraw/zinc/14/03/75/388140375.db2.gz XGTCZZIVXQQAOX-ZWNOBZJWSA-N 2 0 247.342 1.200 20 0 BDADRP C[NH+]1CCC2(CC1)C[N@H+](CC1CCC1)CCO2 ZINC000646104501 388142977 /nfs/dbraw/zinc/14/29/77/388142977.db2.gz ODRJHYAADHJASI-UHFFFAOYSA-N 2 0 238.375 1.583 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)C1 ZINC000449107281 388143994 /nfs/dbraw/zinc/14/39/94/388143994.db2.gz OWTWBERIVRUNLH-AAVRWANBSA-N 2 0 240.391 1.874 20 0 BDADRP CCC[NH2+][C@@H](C)C(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000449112939 388144942 /nfs/dbraw/zinc/14/49/42/388144942.db2.gz DXLGBGDCSZVKCB-RYUDHWBXSA-N 2 0 243.395 1.221 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@H](C)[NH2+]CCC ZINC000449145368 388148383 /nfs/dbraw/zinc/14/83/83/388148383.db2.gz XLZRXCRRAXKCHP-WDEREUQCSA-N 2 0 229.368 1.008 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC1=CCCOC1 ZINC000379737293 388255616 /nfs/dbraw/zinc/25/56/16/388255616.db2.gz RGYOEHGAZXLFLE-LBPRGKRZSA-N 2 0 224.348 1.311 20 0 BDADRP C[C@H]1[C@H](CO)CC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000488750516 388193815 /nfs/dbraw/zinc/19/38/15/388193815.db2.gz UMCUWDLYZCPCGF-KBPBESRZSA-N 2 0 240.391 1.565 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CCC(C)(C)CO)[C@H](C)C1 ZINC000449410198 388197941 /nfs/dbraw/zinc/19/79/41/388197941.db2.gz YLNYOQIYDTZJDD-OLZOCXBDSA-N 2 0 242.407 1.715 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)CC(C)(C)O)[C@@H](C)C1 ZINC000449451556 388209673 /nfs/dbraw/zinc/20/96/73/388209673.db2.gz RLBOVNAEWCGQQC-XQQFMLRXSA-N 2 0 242.407 1.856 20 0 BDADRP CCC[C@H]([NH3+])C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000489480025 388217166 /nfs/dbraw/zinc/21/71/66/388217166.db2.gz PADGRNAUSWYYDK-CABZTGNLSA-N 2 0 235.331 1.772 20 0 BDADRP C[C@@H]([NH2+][C@@H](CO)C1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000517918877 256554205 /nfs/dbraw/zinc/55/42/05/256554205.db2.gz WJIYVESVBJGYLT-XBFCOCLRSA-N 2 0 240.391 1.658 20 0 BDADRP CC(C)[C@@H]([NH3+])C(=O)NCC1([NH3+])CCCCCC1 ZINC000489523984 388220660 /nfs/dbraw/zinc/22/06/60/388220660.db2.gz PECSYPZHBJECTM-LLVKDONJSA-N 2 0 241.379 1.138 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCC2(CO)CC2)[C@H](C)C1 ZINC000449580415 388237631 /nfs/dbraw/zinc/23/76/31/388237631.db2.gz QDZYOAYWARZGPI-CHWSQXEVSA-N 2 0 240.391 1.469 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000449649051 388248320 /nfs/dbraw/zinc/24/83/20/388248320.db2.gz RLWCDRMTGAQQPF-WOPDTQHZSA-N 2 0 241.379 1.138 20 0 BDADRP CO[C@@H]1CC[N@H+](CC[C@H]2CCC[NH+]2C)C[C@H]1C ZINC000451568692 388282193 /nfs/dbraw/zinc/28/21/93/388282193.db2.gz NYSOUUOTGZKZGV-MGPQQGTHSA-N 2 0 240.391 1.828 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1COCC1(C)C ZINC000313050579 256619685 /nfs/dbraw/zinc/61/96/85/256619685.db2.gz CTEIIOKGHJOGPN-UWVGGRQHSA-N 2 0 200.326 1.128 20 0 BDADRP CCSCC[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000233827816 388349447 /nfs/dbraw/zinc/34/94/47/388349447.db2.gz XNRHNGDQYYTIDH-SNVBAGLBSA-N 2 0 202.367 1.410 20 0 BDADRP C[C@H](C[NH3+])N[C@H](C)c1ccc(F)c(F)c1 ZINC000235462182 388369651 /nfs/dbraw/zinc/36/96/51/388369651.db2.gz BGVSYMANNOJTFS-HTQZYQBOSA-N 2 0 214.259 1.963 20 0 BDADRP c1csc(C[NH+]2CCC3(CC[NH2+]C3)CC2)n1 ZINC000306143960 388378801 /nfs/dbraw/zinc/37/88/01/388378801.db2.gz YRWNRTYNPOQKQJ-UHFFFAOYSA-N 2 0 237.372 1.719 20 0 BDADRP CCCC[C@@H]([NH3+])C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000236691146 388382226 /nfs/dbraw/zinc/38/22/26/388382226.db2.gz UZRZHTTYYIYDDD-NWDGAFQWSA-N 2 0 243.395 1.336 20 0 BDADRP CCCCCNC(=O)CN1CC[C@@H]([NH3+])C[C@H]1C ZINC000573016073 388407039 /nfs/dbraw/zinc/40/70/39/388407039.db2.gz GZRLRKWFRNWNIZ-VXGBXAGGSA-N 2 0 241.379 1.104 20 0 BDADRP Cc1ccncc1C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000335349700 388449936 /nfs/dbraw/zinc/44/99/36/388449936.db2.gz VIGPVRRJUOXJBC-TZMCWYRMSA-N 2 0 233.359 1.807 20 0 BDADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CC[NH+]3CCC[C@@H]3C2)CC1 ZINC000336345884 388457678 /nfs/dbraw/zinc/45/76/78/388457678.db2.gz HDHWVJXYTVQFAI-HUUCEWRRSA-N 3 0 249.402 1.465 20 0 BDADRP C[C@H](CC(C)(C)C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000397555766 388478341 /nfs/dbraw/zinc/47/83/41/388478341.db2.gz LTIADVLXJICNSE-GFCCVEGCSA-N 2 0 242.407 1.857 20 0 BDADRP CC(C)[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)C1CC1 ZINC000573108951 388420434 /nfs/dbraw/zinc/42/04/34/388420434.db2.gz NDIGGFJMSRLUJS-QWHCGFSZSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CCOCc1ccccc1 ZINC000307130568 388421918 /nfs/dbraw/zinc/42/19/18/388421918.db2.gz KMGFWWTUQXEPPG-ZDUSSCGKSA-N 2 0 236.359 1.920 20 0 BDADRP Cc1cnccc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000296603794 388425092 /nfs/dbraw/zinc/42/50/92/388425092.db2.gz YRRBMDDBZCTCNG-ZDUSSCGKSA-N 2 0 245.370 1.964 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000166363655 388426163 /nfs/dbraw/zinc/42/61/63/388426163.db2.gz BKOLJGLGUGIYEB-NEPJUHHUSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@H]([NH2+]CCCC(C)(C)CO)[C@H]1CCCC[NH2+]1 ZINC000393425031 388429867 /nfs/dbraw/zinc/42/98/67/388429867.db2.gz LMMAULJKZPHUJN-QWHCGFSZSA-N 2 0 242.407 1.905 20 0 BDADRP Cc1cc(CC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])on1 ZINC000573197675 388430737 /nfs/dbraw/zinc/43/07/37/388430737.db2.gz SEBFXEPYONPLHE-YPMHNXCESA-N 2 0 237.347 1.633 20 0 BDADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@@H]1C[C@H]1C ZINC000322335343 388432443 /nfs/dbraw/zinc/43/24/43/388432443.db2.gz QCAQVOJFKNFEQM-NTZNESFSSA-N 2 0 208.349 1.882 20 0 BDADRP CC(C)(C)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000393613600 388435155 /nfs/dbraw/zinc/43/51/55/388435155.db2.gz KNYKNFKOQIBQPT-TXEJJXNPSA-N 2 0 210.365 1.964 20 0 BDADRP C[C@H](O)CC(C)(C)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000393693107 388437791 /nfs/dbraw/zinc/43/77/91/388437791.db2.gz IMKGQFCGSNMSDY-RWMBFGLXSA-N 2 0 242.407 1.904 20 0 BDADRP CCC[C@H](O)C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000649287339 388543014 /nfs/dbraw/zinc/54/30/14/388543014.db2.gz SHCMWTYJARNSCJ-STQMWFEESA-N 2 0 237.347 1.681 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC000356874437 388550657 /nfs/dbraw/zinc/55/06/57/388550657.db2.gz QEXZBRIMFJWCSP-GXTWGEPZSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H](C(=O)Nc1cccc2c1CC[NH2+]C2)[NH+](C)C ZINC000649272209 388483466 /nfs/dbraw/zinc/48/34/66/388483466.db2.gz YJRWAMMBNCMICB-JTQLQIEISA-N 2 0 247.342 1.221 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)[C@H]1CCCC[NH2+]1 ZINC000397677114 388489237 /nfs/dbraw/zinc/48/92/37/388489237.db2.gz QSESBEREOPLHAC-IEECTRCBSA-N 2 0 208.349 1.905 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)C1CC1 ZINC000340489091 388490930 /nfs/dbraw/zinc/49/09/30/388490930.db2.gz QSWZKFMVCFSLNF-HBJVGIJOSA-N 2 0 240.391 1.730 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C1CC1 ZINC000340490149 388491626 /nfs/dbraw/zinc/49/16/26/388491626.db2.gz LTZNQJHHCMTYQG-KGYLQXTDSA-N 2 0 226.364 1.484 20 0 BDADRP CC[C@@]1(C)C[N@H+](CCCn2ccnc2)CCO1 ZINC000135699524 388505233 /nfs/dbraw/zinc/50/52/33/388505233.db2.gz GHKKLOCZLKCESA-ZDUSSCGKSA-N 2 0 237.347 1.774 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1cc(C)cs1 ZINC000344643963 388509301 /nfs/dbraw/zinc/50/93/01/388509301.db2.gz RWOQEHVMFBHTEJ-LLVKDONJSA-N 2 0 242.388 1.900 20 0 BDADRP CCCn1cc(C[NH2+]CC2=CC[N@H+](C)CC2)cn1 ZINC000345179937 388510955 /nfs/dbraw/zinc/51/09/55/388510955.db2.gz WYLSEMFAWZTEON-UHFFFAOYSA-N 2 0 248.374 1.645 20 0 BDADRP c1cn2c(n1)[C@H](NC[C@@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000345346755 388511768 /nfs/dbraw/zinc/51/17/68/388511768.db2.gz KUWMFYICCSMQGD-WCQYABFASA-N 2 0 246.358 1.402 20 0 BDADRP CN(C)C1(C[NH2+]C2Cc3ccccc3C2)CC1 ZINC000398000020 388514254 /nfs/dbraw/zinc/51/42/54/388514254.db2.gz SFFRBHRIGWAAIR-UHFFFAOYSA-N 2 0 230.355 1.838 20 0 BDADRP Cc1nocc1CNC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000550114360 388599515 /nfs/dbraw/zinc/59/95/15/388599515.db2.gz CQCSIPOPILXJHW-GFCCVEGCSA-N 2 0 237.347 1.803 20 0 BDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C1CC(C)C1 ZINC000186594737 388600969 /nfs/dbraw/zinc/60/09/69/388600969.db2.gz BHKPMFRPQHEZJT-ROKHWSDSSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@H]1CCCCO1 ZINC000379260512 388602000 /nfs/dbraw/zinc/60/20/00/388602000.db2.gz MDKVIIBVXLVNFJ-GXTWGEPZSA-N 2 0 240.391 1.875 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C1CCSCC1 ZINC000220681922 388606621 /nfs/dbraw/zinc/60/66/21/388606621.db2.gz LKFFZVZPRBUNGK-CMPLNLGQSA-N 2 0 228.405 1.989 20 0 BDADRP C[C@@H]1C[N@H+](CCOc2ccccc2)C[C@H]1C[NH3+] ZINC000631842925 388610772 /nfs/dbraw/zinc/61/07/72/388610772.db2.gz HMBYCCJLCRYWGS-CHWSQXEVSA-N 2 0 234.343 1.592 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2C=C[C@H](CO)C2)[C@@H](C)C1 ZINC000247767327 388669280 /nfs/dbraw/zinc/66/92/80/388669280.db2.gz SUIYHDNQDAJEAX-IGQOVBAYSA-N 2 0 238.375 1.243 20 0 BDADRP C[C@@H]1C[C@H](NC[C@H]2CCC[NH+](C)C2)CC[N@@H+]1C ZINC000247982335 388671366 /nfs/dbraw/zinc/67/13/66/388671366.db2.gz INDOTURNRCUUBV-MGPQQGTHSA-N 2 0 239.407 1.401 20 0 BDADRP CC(C)[C@](C)(O)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000248142083 388674329 /nfs/dbraw/zinc/67/43/29/388674329.db2.gz PTJYATGIGQCPLR-FRRDWIJNSA-N 2 0 228.380 1.466 20 0 BDADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C(C)C ZINC000125743045 388675213 /nfs/dbraw/zinc/67/52/13/388675213.db2.gz PJGBMOQDKZODNY-LLVKDONJSA-N 2 0 202.342 1.341 20 0 BDADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](C)OC)C1 ZINC000248452715 388680911 /nfs/dbraw/zinc/68/09/11/388680911.db2.gz YVCLAIWCYXRMDC-QWHCGFSZSA-N 2 0 228.380 1.685 20 0 BDADRP C[C@H]([NH3+])CCNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000521619821 388619196 /nfs/dbraw/zinc/61/91/96/388619196.db2.gz AIQIEEXBSOIERG-RYUDHWBXSA-N 2 0 241.379 1.104 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccns2)C1 ZINC000630076364 388619370 /nfs/dbraw/zinc/61/93/70/388619370.db2.gz LNDZGVKVQHCQEE-AOOOYVTPSA-N 2 0 225.361 1.573 20 0 BDADRP COc1ccccc1CNCCC[NH+]1CCC1 ZINC000521643453 388621159 /nfs/dbraw/zinc/62/11/59/388621159.db2.gz FSVLOKUGSCFZFG-UHFFFAOYSA-N 2 0 234.343 1.881 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CCCOC1)C1C[NH2+]C1 ZINC000530208645 388626092 /nfs/dbraw/zinc/62/60/92/388626092.db2.gz GKCNQYGIVZEYAG-MNOVXSKESA-N 2 0 212.337 1.001 20 0 BDADRP COCCC1CC[NH+]([C@@H](C)C2C[NH2+]C2)CC1 ZINC000530212539 388628201 /nfs/dbraw/zinc/62/82/01/388628201.db2.gz QSJVWBJYPHNPRE-NSHDSACASA-N 2 0 226.364 1.343 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000530215243 388629222 /nfs/dbraw/zinc/62/92/22/388629222.db2.gz FTHOHYSTPQSLNT-AGIUHOORSA-N 2 0 237.391 1.249 20 0 BDADRP C(C[C@@H]1CCCOC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000530213701 388629438 /nfs/dbraw/zinc/62/94/38/388629438.db2.gz VJJJXXXCCPXNCD-ICIURTGMSA-N 2 0 238.375 1.676 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc2cn(C)nc2c1 ZINC000530219011 388631407 /nfs/dbraw/zinc/63/14/07/388631407.db2.gz OOKKEVLGDAJSLE-GHMZBOCLSA-N 2 0 246.358 1.789 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)C1C[NH2+]C1)c1ccncc1 ZINC000530218688 388631798 /nfs/dbraw/zinc/63/17/98/388631798.db2.gz GRSSDLBHNFOFBG-MNOVXSKESA-N 2 0 219.332 1.383 20 0 BDADRP C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000530222181 388632787 /nfs/dbraw/zinc/63/27/87/388632787.db2.gz GBXYEKKIZNMRLG-JALNAOCDSA-N 2 0 240.391 1.905 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@@H]1CCOC1 ZINC000530223519 388633610 /nfs/dbraw/zinc/63/36/10/388633610.db2.gz SQUOGZFMKWBKKA-QJPTWQEYSA-N 2 0 224.348 1.286 20 0 BDADRP COCCC1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000530223047 388634105 /nfs/dbraw/zinc/63/41/05/388634105.db2.gz LWTYDSMNBRJJNC-CQSZACIVSA-N 2 0 240.391 1.735 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC23CC(C2)CO3)C1 ZINC000530224043 388634644 /nfs/dbraw/zinc/63/46/44/388634644.db2.gz VWJPUCPDVVARJE-BFUDSRACSA-N 2 0 210.321 1.025 20 0 BDADRP C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000530227189 388635316 /nfs/dbraw/zinc/63/53/16/388635316.db2.gz VORLBKQRRTVZDV-LEHDDDOWSA-N 2 0 238.375 1.671 20 0 BDADRP CC(C)[C@H]1CNCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000530228871 388636849 /nfs/dbraw/zinc/63/68/49/388636849.db2.gz HEBNOZXXMFVEAC-CQSZACIVSA-N 2 0 239.407 1.306 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@@H]1CC[NH2+]C12CCC2 ZINC000530245141 388638752 /nfs/dbraw/zinc/63/87/52/388638752.db2.gz UULASIMQEDTCJI-NWDGAFQWSA-N 2 0 225.380 1.234 20 0 BDADRP C[N@H+](C[C@@H]1CCC[NH+](C)C1)C[C@H]1CCCCO1 ZINC000246682726 388648741 /nfs/dbraw/zinc/64/87/41/388648741.db2.gz BDVHJRWKFSPLOB-ZIAGYGMSSA-N 2 0 240.391 1.829 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000247075129 388659070 /nfs/dbraw/zinc/65/90/70/388659070.db2.gz QJLZJUBUBXQEIY-MJBXVCDLSA-N 2 0 241.423 1.789 20 0 BDADRP CCC[N@H+](CC)CCN[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000224410813 388663840 /nfs/dbraw/zinc/66/38/40/388663840.db2.gz QCHXHZYLZIVIHD-KBPBESRZSA-N 2 0 241.423 1.791 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCS1 ZINC000250670746 388739648 /nfs/dbraw/zinc/73/96/48/388739648.db2.gz UOKXTECDFQDTFZ-AXFHLTTASA-N 2 0 214.378 1.599 20 0 BDADRP C[C@@H]1C[C@H](NCC[NH+]2CCCCC2)CC[N@@H+]1C ZINC000128217797 388740639 /nfs/dbraw/zinc/74/06/39/388740639.db2.gz YUVQGINIXMYXRM-ZIAGYGMSSA-N 2 0 239.407 1.545 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2Cc3ccccc3O2)C1 ZINC000250843694 388740987 /nfs/dbraw/zinc/74/09/87/388740987.db2.gz HDFITYVMLGNJQM-HZSPNIEDSA-N 2 0 246.354 1.850 20 0 BDADRP CC[C@@H]([NH2+]CCN1CCCCC1)[C@H]1CCOC1 ZINC000128269261 388743341 /nfs/dbraw/zinc/74/33/41/388743341.db2.gz QWOTYKGFETVFMJ-UONOGXRCSA-N 2 0 240.391 1.877 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cccc(CO)c2)C1 ZINC000227454451 388751069 /nfs/dbraw/zinc/75/10/69/388751069.db2.gz IDCHZVLGQNBJRM-UONOGXRCSA-N 2 0 234.343 1.538 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000126176968 388689492 /nfs/dbraw/zinc/68/94/92/388689492.db2.gz QMVCRHJAVNNVQL-TZMCWYRMSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000423294005 388691668 /nfs/dbraw/zinc/69/16/68/388691668.db2.gz AXQWSNLWIGRMBR-TVQRCGJNSA-N 2 0 222.307 1.997 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000126269335 388691925 /nfs/dbraw/zinc/69/19/25/388691925.db2.gz MUYLLRQJQFBHQE-JSGCOSHPSA-N 3 0 239.407 1.258 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000248982415 388702418 /nfs/dbraw/zinc/70/24/18/388702418.db2.gz FWENTQYXOJLASG-STQMWFEESA-N 2 0 228.380 1.421 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)OC)[C@@H](C)C1 ZINC000249088219 388708513 /nfs/dbraw/zinc/70/85/13/388708513.db2.gz MVYMPXPVNGPWEO-SRVKXCTJSA-N 2 0 214.353 1.341 20 0 BDADRP Cc1nc(CC[NH2+]CC(C)(C)[NH3+])cs1 ZINC000226466949 388719545 /nfs/dbraw/zinc/71/95/45/388719545.db2.gz QOIADPFKAPNYNL-UHFFFAOYSA-N 2 0 213.350 1.321 20 0 BDADRP FC(F)OCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000194036766 388721669 /nfs/dbraw/zinc/72/16/69/388721669.db2.gz YKICSOKLRNBIDQ-WDEREUQCSA-N 2 0 248.317 1.832 20 0 BDADRP COC[C@H](C)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000249499552 388723732 /nfs/dbraw/zinc/72/37/32/388723732.db2.gz HIODOOAIRIBOFF-MCIONIFRSA-N 2 0 240.391 1.685 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCc2cnn(C)c2)CC[N@@H+]1C ZINC000127792266 388732221 /nfs/dbraw/zinc/73/22/21/388732221.db2.gz OIWAWCLOGOXAST-DGCLKSJQSA-N 2 0 236.363 1.035 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCCCO ZINC000229601854 388797031 /nfs/dbraw/zinc/79/70/31/388797031.db2.gz YKPGEGGCBLIIBH-RYUDHWBXSA-N 2 0 214.353 1.079 20 0 BDADRP CC[C@H](C)C[NH2+]CCOCC[NH+](C)C ZINC000230005093 388809483 /nfs/dbraw/zinc/80/94/83/388809483.db2.gz SNISLUNOISTKEU-NSHDSACASA-N 2 0 202.342 1.200 20 0 BDADRP CC(C)[C@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000228738401 388772867 /nfs/dbraw/zinc/77/28/67/388772867.db2.gz HDMZDYKCWPQSPH-STQMWFEESA-N 2 0 210.365 1.964 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCC(F)(F)F ZINC000252713147 388773569 /nfs/dbraw/zinc/77/35/69/388773569.db2.gz OLVGMQRJMPQBKO-DTWKUNHWSA-N 2 0 224.270 1.869 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1cccnc1 ZINC000252715189 388775498 /nfs/dbraw/zinc/77/54/98/388775498.db2.gz UWNTXNVPEVMXSD-GXTWGEPZSA-N 2 0 233.359 1.554 20 0 BDADRP CC[C@@H](C)CN(CC[NH+](C)C)CC[NH+](C)C ZINC000554875870 388835031 /nfs/dbraw/zinc/83/50/31/388835031.db2.gz VPLOFSUSDYDLBR-CYBMUJFWSA-N 2 0 229.412 1.458 20 0 BDADRP C[C@H]([NH3+])CCC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000193324694 388849739 /nfs/dbraw/zinc/84/97/39/388849739.db2.gz YYIYAIZPDRTDNI-JTQLQIEISA-N 2 0 247.342 1.033 20 0 BDADRP CC[C@H](O)C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000564652342 388883107 /nfs/dbraw/zinc/88/31/07/388883107.db2.gz YOPNKPKQNJXPAT-LBPRGKRZSA-N 2 0 214.353 1.221 20 0 BDADRP CCN(C)C[C@H](O)C[N@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000565166871 388920209 /nfs/dbraw/zinc/92/02/09/388920209.db2.gz VCGGDYGMGRQQPC-OLZOCXBDSA-N 2 0 242.407 1.810 20 0 BDADRP CC(C)[NH2+]CCC[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000566088189 388986808 /nfs/dbraw/zinc/98/68/08/388986808.db2.gz BXSGZLRJYNETCZ-GRYCIOLGSA-N 2 0 214.353 1.530 20 0 BDADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000400720696 533355489 /nfs/dbraw/zinc/35/54/89/533355489.db2.gz OKAMMBNDENJFQS-OLZOCXBDSA-N 3 0 239.407 1.448 20 0 BDADRP C([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCCCCC1 ZINC000334832966 533372507 /nfs/dbraw/zinc/37/25/07/533372507.db2.gz JVMIXNZRJBJUID-ITGUQSILSA-N 2 0 208.349 1.764 20 0 BDADRP C[C@@H](NCC[NH+]1CCCCC1)[C@H]1CCC[NH2+]1 ZINC000400720066 533394938 /nfs/dbraw/zinc/39/49/38/533394938.db2.gz OGDBREQXZZXCSF-CHWSQXEVSA-N 2 0 225.380 1.202 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)[C@H]1CCCCO1 ZINC000400377116 533500128 /nfs/dbraw/zinc/50/01/28/533500128.db2.gz IYKRVJPYXIVNFM-UMSGYPCISA-N 2 0 226.364 1.532 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)[C@@H]1CCC[NH2+]1 ZINC000400342884 533500235 /nfs/dbraw/zinc/50/02/35/533500235.db2.gz IAFVKNMKBIPRLI-LOWDOPEQSA-N 2 0 226.364 1.532 20 0 BDADRP CC[C@@H](COC)[NH2+]C[C@@H]1CCC[N@H+](CC)C1 ZINC000167103438 133965785 /nfs/dbraw/zinc/96/57/85/133965785.db2.gz VONMUADHCBEFLA-STQMWFEESA-N 2 0 228.380 1.733 20 0 BDADRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]C2CCC(O)CC2)C1 ZINC000335942954 134018407 /nfs/dbraw/zinc/01/84/07/134018407.db2.gz UQJHZRCLMFYFMM-QPPOZKHWSA-N 2 0 240.391 1.752 20 0 BDADRP C(C[N@@H+]1CC[C@]2(CCOC2)C1)C1CC[NH2+]CC1 ZINC000336081011 134075227 /nfs/dbraw/zinc/07/52/27/134075227.db2.gz YTVSKWWIGBELFO-AWEZNQCLSA-N 2 0 238.375 1.489 20 0 BDADRP C(C1CC[NH+]([C@H]2CCOC2)CC1)[NH+]1CCCC1 ZINC000336180256 134119425 /nfs/dbraw/zinc/11/94/25/134119425.db2.gz YZUMCBFXIFMAOI-AWEZNQCLSA-N 2 0 238.375 1.583 20 0 BDADRP C[C@H](CN[C@@H]1CCC[NH2+]CC1)[N@H+](C)C1CC1 ZINC000217536477 134248307 /nfs/dbraw/zinc/24/83/07/134248307.db2.gz YUYHNMXRYUNXOX-VXGBXAGGSA-N 2 0 225.380 1.201 20 0 BDADRP CC[C@H](CO)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000169235106 134250113 /nfs/dbraw/zinc/25/01/13/134250113.db2.gz DTQVZKCLGPXXKM-JIMOISOXSA-N 2 0 220.316 1.492 20 0 BDADRP CCCN(CC)CC[NH2+]C1CCC([NH3+])CC1 ZINC000217732566 134250545 /nfs/dbraw/zinc/25/05/45/134250545.db2.gz UIUCMYRTHNWUJO-UHFFFAOYSA-N 2 0 227.396 1.578 20 0 BDADRP Cn1cncc1CN[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000218109962 134251283 /nfs/dbraw/zinc/25/12/83/134251283.db2.gz XHBGHQUMVRVFOA-OLZOCXBDSA-N 2 0 234.347 1.137 20 0 BDADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccco1 ZINC000219311946 134281485 /nfs/dbraw/zinc/28/14/85/134281485.db2.gz RMNZNDLHIVRTSD-LLVKDONJSA-N 2 0 226.320 1.508 20 0 BDADRP COc1cc(C[NH2+][C@H](C)CC[NH3+])ccc1C ZINC000220491856 134305191 /nfs/dbraw/zinc/30/51/91/134305191.db2.gz JBJBJVSRBKQVTG-LLVKDONJSA-N 2 0 222.332 1.831 20 0 BDADRP c1cn(CCC[NH2+]CC[C@H]2CCOC2)cn1 ZINC000220498955 134305681 /nfs/dbraw/zinc/30/56/81/134305681.db2.gz JLIYHCIJPSSIAK-LBPRGKRZSA-N 2 0 223.320 1.289 20 0 BDADRP Cn1cc([C@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)cn1 ZINC000178980362 134314158 /nfs/dbraw/zinc/31/41/58/134314158.db2.gz SYOHOPKBWKLOEK-CQSZACIVSA-N 2 0 248.374 1.557 20 0 BDADRP c1cn(C2CC[NH+](CC3CC[NH2+]CC3)CC2)cn1 ZINC000178979611 134314223 /nfs/dbraw/zinc/31/42/23/134314223.db2.gz SVXLXGQRMOHZFV-UHFFFAOYSA-N 2 0 248.374 1.520 20 0 BDADRP C[C@H](CC[NH+](C)C)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000222912886 134336201 /nfs/dbraw/zinc/33/62/01/134336201.db2.gz IPQUNRKRTJEZPF-UPJWGTAASA-N 2 0 239.407 1.541 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](C[C@H]2CCSC2)CC1 ZINC000224612451 134349459 /nfs/dbraw/zinc/34/94/59/134349459.db2.gz HCCVTANQQGPIPG-GHMZBOCLSA-N 2 0 228.405 1.799 20 0 BDADRP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CCC[NH+](C)C ZINC000183664523 134355340 /nfs/dbraw/zinc/35/53/40/134355340.db2.gz AVRXTTKFLNRMBF-NSHDSACASA-N 2 0 244.379 1.648 20 0 BDADRP CC(C)(CCCO)C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000227921486 134399676 /nfs/dbraw/zinc/39/96/76/134399676.db2.gz PCRZBOLIOBUEMB-RYUDHWBXSA-N 2 0 228.380 1.502 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000131836368 134635067 /nfs/dbraw/zinc/63/50/67/134635067.db2.gz IWULKCRDUBLXHZ-LLVKDONJSA-N 2 0 233.315 1.083 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCSCCCO ZINC000230785091 135022185 /nfs/dbraw/zinc/02/21/85/135022185.db2.gz HTACQTAEHOLOJE-NEPJUHHUSA-N 2 0 246.420 1.209 20 0 BDADRP CC[C@@H](C)[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000249052759 135030881 /nfs/dbraw/zinc/03/08/81/135030881.db2.gz XUXIEZKAWCCLOE-JWURUJNWSA-N 2 0 240.391 1.608 20 0 BDADRP CCCCOCC[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000249848595 135046486 /nfs/dbraw/zinc/04/64/86/135046486.db2.gz IDMIUYIQHQEQPD-QWHCGFSZSA-N 2 0 228.380 1.862 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@H]2CCCOC2)C1 ZINC000250245267 135050233 /nfs/dbraw/zinc/05/02/33/135050233.db2.gz HWLYQCBYACABFC-QWHCGFSZSA-N 2 0 226.364 1.344 20 0 BDADRP C[NH+](C)CCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250367078 135053149 /nfs/dbraw/zinc/05/31/49/135053149.db2.gz YOGFCDWFMPLNAP-MGPQQGTHSA-N 2 0 239.407 1.448 20 0 BDADRP CC(C)OCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250575925 135054208 /nfs/dbraw/zinc/05/42/08/135054208.db2.gz DJMXOYUARCCXKW-STQMWFEESA-N 2 0 226.364 1.628 20 0 BDADRP C[C@H](CCO)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000251226525 135066133 /nfs/dbraw/zinc/06/61/33/135066133.db2.gz PIRXISANJDUUPT-GRYCIOLGSA-N 2 0 214.353 1.112 20 0 BDADRP C[C@H](CCO)[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000251243112 135067409 /nfs/dbraw/zinc/06/74/09/135067409.db2.gz SMIMYGBSKZNCEU-FRRDWIJNSA-N 2 0 228.380 1.658 20 0 BDADRP C[C@@H]1[C@@H](C)CCC[N@@H+]1CCOCC[NH3+] ZINC000086435654 135084069 /nfs/dbraw/zinc/08/40/69/135084069.db2.gz JNVGUBHXAMGNHE-WDEREUQCSA-N 2 0 200.326 1.082 20 0 BDADRP Cc1c(CN2CCCC[C@@H]2C[NH3+])cnn1C ZINC000086552423 135089866 /nfs/dbraw/zinc/08/98/66/135089866.db2.gz KLMCIQQYCHTHKS-GFCCVEGCSA-N 2 0 222.336 1.042 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN(C)C[C@H]1CCC[N@@H+]1C ZINC000252581981 135092063 /nfs/dbraw/zinc/09/20/63/135092063.db2.gz UHFOCANZFIPYJG-CHWSQXEVSA-N 2 0 227.396 1.386 20 0 BDADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)[C@@H]1CCCO1 ZINC000086725803 135095070 /nfs/dbraw/zinc/09/50/70/135095070.db2.gz LDAYFXSYYMANCO-XKGSQUFQSA-N 2 0 212.337 1.413 20 0 BDADRP C[C@@H]1CN(C)CC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000257772794 135100310 /nfs/dbraw/zinc/10/03/10/135100310.db2.gz DOALNLRSWXMMOR-CHWSQXEVSA-N 2 0 225.380 1.012 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC(C)(C)CCO ZINC000252714030 135100608 /nfs/dbraw/zinc/10/06/08/135100608.db2.gz QVUQVTGUCCZOPM-NWDGAFQWSA-N 2 0 228.380 1.325 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252759514 135107703 /nfs/dbraw/zinc/10/77/03/135107703.db2.gz LLHPGXSPCFPGKC-RVMXOQNASA-N 2 0 226.364 1.362 20 0 BDADRP COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000261575985 135110310 /nfs/dbraw/zinc/11/03/10/135110310.db2.gz NMHLMKPMEAHNDD-CFVMTHIKSA-N 2 0 246.354 1.864 20 0 BDADRP CCOCCC[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252790140 135110521 /nfs/dbraw/zinc/11/05/21/135110521.db2.gz YOEJPNQXGVUCCV-QWRGUYRKSA-N 2 0 200.326 1.082 20 0 BDADRP C[C@@]1(C[NH2+]CC2CC[NH2+]CC2)CCCO1 ZINC000087233794 135113546 /nfs/dbraw/zinc/11/35/46/135113546.db2.gz BSUOMYLYDXSHPA-LBPRGKRZSA-N 2 0 212.337 1.145 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H](C)CCCO)CC1 ZINC000087358467 135124367 /nfs/dbraw/zinc/12/43/67/135124367.db2.gz UUYSPKMMRUMUCB-GFCCVEGCSA-N 2 0 228.380 1.611 20 0 BDADRP CC(C)CCOCC[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000253250405 135125578 /nfs/dbraw/zinc/12/55/78/135125578.db2.gz VWJQNUIRWKETFM-UONOGXRCSA-N 2 0 242.407 1.966 20 0 BDADRP Cc1csc(C[NH+]2CCC(C[NH3+])CC2)n1 ZINC000087391323 135127719 /nfs/dbraw/zinc/12/77/19/135127719.db2.gz WYEZVQXWWRECGV-UHFFFAOYSA-N 2 0 225.361 1.622 20 0 BDADRP Cc1n[nH]c(C)c1CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257638631 135137286 /nfs/dbraw/zinc/13/72/86/135137286.db2.gz AFXKNIJFQNCALL-AWEZNQCLSA-N 2 0 248.374 1.602 20 0 BDADRP C([C@@H]1CCSC1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257644440 135137792 /nfs/dbraw/zinc/13/77/92/135137792.db2.gz BTVWAHQUGVFTNI-QWHCGFSZSA-N 2 0 240.416 1.815 20 0 BDADRP C([C@@H]1CCCOC1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257713852 135140611 /nfs/dbraw/zinc/14/06/11/135140611.db2.gz UGRRRVTWYZXGQE-UONOGXRCSA-N 2 0 238.375 1.489 20 0 BDADRP c1cncc(CC[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000257719909 135140905 /nfs/dbraw/zinc/14/09/05/135140905.db2.gz VKDCWPHOIWSURT-AWEZNQCLSA-N 2 0 231.343 1.310 20 0 BDADRP FCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000261529592 135155880 /nfs/dbraw/zinc/15/58/80/135155880.db2.gz UAMAXWQQEGXYOQ-GMTAPVOTSA-N 2 0 200.301 1.466 20 0 BDADRP Cc1cccc(C[N@@H+](C)C2CC([NH3+])C2)c1 ZINC000087653300 135160965 /nfs/dbraw/zinc/16/09/65/135160965.db2.gz KUPXCGDHTIARGJ-UHFFFAOYSA-N 2 0 204.317 1.917 20 0 BDADRP c1csc(CC[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000087646049 135161216 /nfs/dbraw/zinc/16/12/16/135161216.db2.gz VPISYGLHZLRPNY-LLVKDONJSA-N 2 0 224.373 1.880 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000261532441 135162390 /nfs/dbraw/zinc/16/23/90/135162390.db2.gz BMEWYWSUQLJXTR-JHJVBQTASA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCN(C)C[C@H]2C)CC[NH2+]1 ZINC000261533050 135164042 /nfs/dbraw/zinc/16/40/42/135164042.db2.gz GIYIOZUMWLIMNE-UPJWGTAASA-N 2 0 225.380 1.010 20 0 BDADRP C[C@H](CN[C@H]1CCC[C@H]1C[NH3+])[N@H+](C)C1CC1 ZINC000261534093 135166067 /nfs/dbraw/zinc/16/60/67/135166067.db2.gz MZCIHUVLXBCLKW-MDZLAQPJSA-N 2 0 225.380 1.186 20 0 BDADRP C[N@H+](C[C@H]1CCSC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261534656 135167922 /nfs/dbraw/zinc/16/79/22/135167922.db2.gz SKYPPNSZABBOCH-FKJOKYEKSA-N 2 0 240.416 1.954 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]1CC[NH2+][C@H]1CC ZINC000353170975 135168100 /nfs/dbraw/zinc/16/81/00/135168100.db2.gz ARGSKCJEFQHGSO-WOPDTQHZSA-N 2 0 241.379 1.008 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCC(F)(F)F)C[C@H]12 ZINC000261534867 135168770 /nfs/dbraw/zinc/16/87/70/135168770.db2.gz NGOWVAFESPMHPF-HRDYMLBCSA-N 2 0 222.254 1.608 20 0 BDADRP C[C@@H]1C[C@@H](C[N@H+](C)C[C@H]2CCCO2)CC[NH2+]1 ZINC000261535429 135169762 /nfs/dbraw/zinc/16/97/62/135169762.db2.gz YTTYXAJJWPTPPX-FRRDWIJNSA-N 2 0 226.364 1.485 20 0 BDADRP CO[C@H]1CC[N@H+](CC2CC[NH2+]CC2)[C@H](C)C1 ZINC000261535413 135169928 /nfs/dbraw/zinc/16/99/28/135169928.db2.gz YJFYXVHBHSJJRY-YPMHNXCESA-N 2 0 226.364 1.485 20 0 BDADRP CC1(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)CCC1 ZINC000261535664 135170301 /nfs/dbraw/zinc/17/03/01/135170301.db2.gz OYYUQVNZQXIDMZ-CYBMUJFWSA-N 2 0 208.349 1.862 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](C[C@H]2CCSC2)C1 ZINC000261535803 135170667 /nfs/dbraw/zinc/17/06/67/135170667.db2.gz PGVRWERXTDXRAT-NWDGAFQWSA-N 2 0 228.405 1.800 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000261539968 135178738 /nfs/dbraw/zinc/17/87/38/135178738.db2.gz CVHGVEFHNFIGBR-MELADBBJSA-N 2 0 241.423 1.824 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+](C)C[C@H]2CCCOC2)CC[NH2+]1 ZINC000261540299 135179234 /nfs/dbraw/zinc/17/92/34/135179234.db2.gz FSOIHWPROGGADR-MGPQQGTHSA-N 2 0 240.391 1.733 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)CCCO1 ZINC000261540746 135180076 /nfs/dbraw/zinc/18/00/76/135180076.db2.gz HQCVBHMGKNJZDQ-MELADBBJSA-N 2 0 240.391 1.875 20 0 BDADRP COC[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000261544104 135185665 /nfs/dbraw/zinc/18/56/65/135185665.db2.gz WRKLOPRUANJEPS-ZIAGYGMSSA-N 2 0 240.391 1.735 20 0 BDADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCc3ccccc3)C[C@@H]12 ZINC000261544972 135186083 /nfs/dbraw/zinc/18/60/83/135186083.db2.gz FLEMVSCIIZWRAK-RRFJBIMHSA-N 2 0 230.355 1.898 20 0 BDADRP Cc1nc(C)c(C[N@@H+]2CC[C@H](C[NH3+])C2)s1 ZINC000084149026 135187776 /nfs/dbraw/zinc/18/77/76/135187776.db2.gz PKNKFKWVGXSJSK-SNVBAGLBSA-N 2 0 225.361 1.541 20 0 BDADRP CCC1(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)CCOCC1 ZINC000261553255 135192786 /nfs/dbraw/zinc/19/27/86/135192786.db2.gz NRAOLTIZDGRUQR-STQMWFEESA-N 2 0 240.391 1.862 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCOC1 ZINC000084216843 135192835 /nfs/dbraw/zinc/19/28/35/135192835.db2.gz UYEUDUSAUCFYEM-TUAOUCFPSA-N 2 0 212.337 1.273 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCc1ccccc1 ZINC000084217633 135193321 /nfs/dbraw/zinc/19/33/21/135193321.db2.gz MJWVYQZVSVNYLY-UONOGXRCSA-N 2 0 218.344 1.946 20 0 BDADRP Cc1ccncc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261560526 135201170 /nfs/dbraw/zinc/20/11/70/135201170.db2.gz UTAQLBJGYTWVCI-YUTCNCBUSA-N 2 0 231.343 1.559 20 0 BDADRP Cc1cccnc1CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261563693 135205515 /nfs/dbraw/zinc/20/55/15/135205515.db2.gz XDSFVNQAFHQHOB-CHWSQXEVSA-N 2 0 231.343 1.431 20 0 BDADRP Cc1nn(C)c(C)c1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261564624 135207056 /nfs/dbraw/zinc/20/70/56/135207056.db2.gz XTWVIVHTFUOKRF-CYBMUJFWSA-N 2 0 236.363 1.208 20 0 BDADRP CCC[C@@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000261571779 135214039 /nfs/dbraw/zinc/21/40/39/135214039.db2.gz HVLUVKXGYDRQIT-GFCCVEGCSA-N 2 0 214.353 1.474 20 0 BDADRP Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000164138779 135214171 /nfs/dbraw/zinc/21/41/71/135214171.db2.gz ZXMUGHBCPZRKEZ-NSHDSACASA-N 2 0 222.307 1.915 20 0 BDADRP C[C@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CC(C)(C)O1 ZINC000084385595 135217855 /nfs/dbraw/zinc/21/78/55/135217855.db2.gz LRWULZNGZSAONH-RYUDHWBXSA-N 2 0 226.364 1.485 20 0 BDADRP Cc1ncsc1C[N@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000084386000 135218376 /nfs/dbraw/zinc/21/83/76/135218376.db2.gz XFYQNYVSHXKOSQ-LLVKDONJSA-N 2 0 239.388 1.883 20 0 BDADRP Cc1c[nH+]ccc1N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261584891 135225918 /nfs/dbraw/zinc/22/59/18/135225918.db2.gz QDNXWVBQAFVUQL-NEPJUHHUSA-N 2 0 217.316 1.578 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1cnn(C)c1 ZINC000261586729 135227778 /nfs/dbraw/zinc/22/77/78/135227778.db2.gz RJZYVCGZEQMFLK-WCQGTBRESA-N 2 0 222.336 1.341 20 0 BDADRP Cc1ncccc1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000261590779 135231309 /nfs/dbraw/zinc/23/13/09/135231309.db2.gz UTDCYTAAXSJGBB-BETUJISGSA-N 2 0 217.316 1.041 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000261591083 135231717 /nfs/dbraw/zinc/23/17/17/135231717.db2.gz UYGCTBQJFWYTSU-NDBYEHHHSA-N 2 0 226.364 1.519 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]12 ZINC000261595253 135235001 /nfs/dbraw/zinc/23/50/01/135235001.db2.gz XZORXWRVIICXJB-JHJVBQTASA-N 2 0 224.348 1.082 20 0 BDADRP Cc1ncccc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261545982 135238648 /nfs/dbraw/zinc/23/86/48/135238648.db2.gz GNJOYDMIZFXODE-MJBXVCDLSA-N 2 0 231.343 1.559 20 0 BDADRP O=c1[nH]ccc2c1C[N@H+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000261694755 135246987 /nfs/dbraw/zinc/24/69/87/135246987.db2.gz HSRMEANEVYOEHL-NSHDSACASA-N 2 0 247.342 1.145 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cccc(N)c2)C1 ZINC000261710729 135247531 /nfs/dbraw/zinc/24/75/31/135247531.db2.gz PMMUIMISVRYBDY-YPMHNXCESA-N 2 0 233.359 1.828 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cccc(N)c2)C1 ZINC000261710726 135247591 /nfs/dbraw/zinc/24/75/91/135247591.db2.gz PMMUIMISVRYBDY-AAEUAGOBSA-N 2 0 233.359 1.828 20 0 BDADRP Cc1noc(C)c1C[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000261728457 135248415 /nfs/dbraw/zinc/24/84/15/135248415.db2.gz NZYUNJSRWRWYMM-JOYOIKCWSA-N 2 0 237.347 1.769 20 0 BDADRP C[N@H+](CCOc1ccccc1)C[C@]1(C)CC[NH2+]C1 ZINC000261765662 135250933 /nfs/dbraw/zinc/25/09/33/135250933.db2.gz LXPJTSFKDPXDHA-OAHLLOKOSA-N 2 0 248.370 1.997 20 0 BDADRP CC[N@H+](CC[C@@H]1CCOC1)[C@H]1CCC[NH2+]CC1 ZINC000261782115 135252731 /nfs/dbraw/zinc/25/27/31/135252731.db2.gz FLQVKWLWDABNJI-KGLIPLIRSA-N 2 0 240.391 1.877 20 0 BDADRP CCC[C@@]1(CO)CCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261811344 135254424 /nfs/dbraw/zinc/25/44/24/135254424.db2.gz HRIHHOKRPPIRET-KBPBESRZSA-N 2 0 240.391 1.613 20 0 BDADRP C[NH2+][C@@H](C)CNC(=O)CC1(C[NH3+])CCCCC1 ZINC000261854265 135257700 /nfs/dbraw/zinc/25/77/00/135257700.db2.gz XPXVMDUNOQXXSK-NSHDSACASA-N 2 0 241.379 1.010 20 0 BDADRP CC(C)(C)[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000261908579 135261410 /nfs/dbraw/zinc/26/14/10/135261410.db2.gz ZMNFAMIBMMJNPZ-CYBMUJFWSA-N 2 0 240.391 1.733 20 0 BDADRP O=c1[nH]ccc2c1C[N@H+](CC1CC[NH2+]CC1)CC2 ZINC000261901622 135261513 /nfs/dbraw/zinc/26/15/13/135261513.db2.gz YPYKWNMDINCVFZ-UHFFFAOYSA-N 2 0 247.342 1.145 20 0 BDADRP COC(=O)C(C)(C)CC[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000261922860 135263235 /nfs/dbraw/zinc/26/32/35/135263235.db2.gz KRECXHWALBYCLY-MNOVXSKESA-N 2 0 242.363 1.245 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000262030866 135273656 /nfs/dbraw/zinc/27/36/56/135273656.db2.gz XDJQIAAEAVIQBN-KGLIPLIRSA-N 2 0 238.375 1.344 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCCCN1Cc1cnc(N)s1 ZINC000262030818 135274227 /nfs/dbraw/zinc/27/42/27/135274227.db2.gz OAEVADBUUXPCFS-WPRPVWTQSA-N 2 0 240.376 1.427 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000262046564 135275779 /nfs/dbraw/zinc/27/57/79/135275779.db2.gz YZBGGKAOJAXBEZ-XQQFMLRXSA-N 2 0 226.364 1.472 20 0 BDADRP CCOC[C@@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262044553 135275980 /nfs/dbraw/zinc/27/59/80/135275980.db2.gz PNRVUJZZESORPO-CHWSQXEVSA-N 2 0 226.364 1.344 20 0 BDADRP C[C@]1(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)CC[NH2+]C1 ZINC000262042158 135276079 /nfs/dbraw/zinc/27/60/79/135276079.db2.gz PGVZXRZRNBGXBL-OCCSQVGLSA-N 2 0 248.374 1.589 20 0 BDADRP CC[N@@H+]1CC[C@@H](N(C)CC(C)(C)[NH3+])C[C@H]1C ZINC000262041774 135276331 /nfs/dbraw/zinc/27/63/31/135276331.db2.gz YJEXNTXNNPFRGM-VXGBXAGGSA-N 2 0 227.396 1.528 20 0 BDADRP C[N@H+](CCOCC(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000262078568 135277619 /nfs/dbraw/zinc/27/76/19/135277619.db2.gz DPKZXKMRYAOIJX-SNVBAGLBSA-N 2 0 236.306 1.342 20 0 BDADRP [NH3+]CC[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000262128317 135280901 /nfs/dbraw/zinc/28/09/01/135280901.db2.gz CVKJPJVLLIYWIN-GFCCVEGCSA-N 3 0 225.380 1.047 20 0 BDADRP c1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)CO2 ZINC000262248905 135287837 /nfs/dbraw/zinc/28/78/37/135287837.db2.gz PUBYGRIWPUZARK-JSGCOSHPSA-N 2 0 246.354 1.579 20 0 BDADRP c1ccc2c(c1)C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)CO2 ZINC000262252892 135287882 /nfs/dbraw/zinc/28/78/82/135287882.db2.gz QEWARIQDFROCFE-KBPBESRZSA-N 2 0 246.354 1.722 20 0 BDADRP c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)CO2 ZINC000262252896 135288342 /nfs/dbraw/zinc/28/83/42/135288342.db2.gz QEWARIQDFROCFE-UONOGXRCSA-N 2 0 246.354 1.722 20 0 BDADRP CCc1ccc([C@@H]2C[NH2+]CCN2CC[NH3+])cc1 ZINC000262311622 135292214 /nfs/dbraw/zinc/29/22/14/135292214.db2.gz ZBKYXYXOCBMZJI-AWEZNQCLSA-N 2 0 233.359 1.154 20 0 BDADRP CC(C)[C@](C)(C[NH3+])NC(=O)c1ccc(C[NH3+])cc1 ZINC000262434156 135297145 /nfs/dbraw/zinc/29/71/45/135297145.db2.gz KSFIAOGHLFNWLF-AWEZNQCLSA-N 2 0 249.358 1.249 20 0 BDADRP C[N@H+](CC[C@H]1CCCO1)CC[C@@H]1CCC[NH+]1C ZINC000342607393 135302793 /nfs/dbraw/zinc/30/27/93/135302793.db2.gz RWAMHLBMILFIKC-UONOGXRCSA-N 2 0 240.391 1.972 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000262632095 135309944 /nfs/dbraw/zinc/30/99/44/135309944.db2.gz MXCPZDFVHKQOJQ-WDEREUQCSA-N 2 0 241.379 1.138 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000262718087 135315823 /nfs/dbraw/zinc/31/58/23/135315823.db2.gz WZJKEBFEAOFQHO-DGCLKSJQSA-N 2 0 243.395 1.350 20 0 BDADRP CCC(CC)(C[NH3+])NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000262608486 135315840 /nfs/dbraw/zinc/31/58/40/135315840.db2.gz UTMAXQLQOKQARX-MNOVXSKESA-N 2 0 241.379 1.138 20 0 BDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCC1(C)C ZINC000342725662 135315992 /nfs/dbraw/zinc/31/59/92/135315992.db2.gz GTWXCUCYEKWHIC-CHWSQXEVSA-N 2 0 239.407 1.401 20 0 BDADRP [NH3+]CCN(CCc1cccc(F)c1)C1CC1 ZINC000262953526 135324965 /nfs/dbraw/zinc/32/49/65/135324965.db2.gz KAOFJANDHXZGNC-UHFFFAOYSA-N 2 0 222.307 1.791 20 0 BDADRP Cc1n[nH]c(C)c1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000334312618 135351629 /nfs/dbraw/zinc/35/16/29/135351629.db2.gz UIXQGXRCJYQWLU-KCJUWKMLSA-N 2 0 222.336 1.196 20 0 BDADRP C[NH+](C)CC1CC[NH+](CCc2ccccn2)CC1 ZINC000343115992 135357848 /nfs/dbraw/zinc/35/78/48/135357848.db2.gz DASSGUFQCCMBDB-UHFFFAOYSA-N 2 0 247.386 1.898 20 0 BDADRP C[C@@H]1COCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000334370661 135375087 /nfs/dbraw/zinc/37/50/87/135375087.db2.gz PANMSGXEJFWNRP-KBPBESRZSA-N 2 0 240.391 1.829 20 0 BDADRP Cn1nccc1CN1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000334410649 135392685 /nfs/dbraw/zinc/39/26/85/135392685.db2.gz KPBNYZXEJHPQPA-OCCSQVGLSA-N 2 0 248.374 1.336 20 0 BDADRP C([C@H]1CCC[NH2+]C1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334412718 135396124 /nfs/dbraw/zinc/39/61/24/135396124.db2.gz LKNRXLAUDXYINP-UONOGXRCSA-N 2 0 237.391 1.062 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)[C@H]1CCCO1 ZINC000086700382 135494585 /nfs/dbraw/zinc/49/45/85/135494585.db2.gz SBNAMQBQGNEXLV-CMPLNLGQSA-N 2 0 212.337 1.143 20 0 BDADRP Cc1cc(N2CC[C@@]3(C2)CCC[NH2+]C3)cc[nH+]1 ZINC000334996319 135861301 /nfs/dbraw/zinc/86/13/01/135861301.db2.gz QDFFDNHXWFCJLI-AWEZNQCLSA-N 2 0 231.343 1.970 20 0 BDADRP CCC[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000335176801 135932369 /nfs/dbraw/zinc/93/23/69/135932369.db2.gz QGALQTWVWHMQCA-STQMWFEESA-N 2 0 226.364 1.615 20 0 BDADRP O[C@H](C[NH2+][C@@H]1CC[C@H]1C1CC1)C[NH+]1CCCC1 ZINC000348105975 136037084 /nfs/dbraw/zinc/03/70/84/136037084.db2.gz PAASLVNLZKOHJK-HZSPNIEDSA-N 2 0 238.375 1.221 20 0 BDADRP CC(C)([NH3+])CN1C[C@@H]([NH3+])Cc2ccccc21 ZINC000335358442 136074968 /nfs/dbraw/zinc/07/49/68/136074968.db2.gz QGZKIHSINZXDSM-NSHDSACASA-N 2 0 219.332 1.114 20 0 BDADRP C[C@H]([NH3+])c1ccc(C(=O)N2CC[NH2+][C@H](C)C2)cc1 ZINC000335386064 136088966 /nfs/dbraw/zinc/08/89/66/136088966.db2.gz JBJFOKMSOPVMBR-MNOVXSKESA-N 2 0 247.342 1.140 20 0 BDADRP c1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)no1 ZINC000335394223 136091904 /nfs/dbraw/zinc/09/19/04/136091904.db2.gz DTXGTKUXTVRVST-PHIMTYICSA-N 2 0 221.304 1.106 20 0 BDADRP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CC1C[NH2+]C1 ZINC000335553074 136098813 /nfs/dbraw/zinc/09/88/13/136098813.db2.gz SXTOPTZSZSLMHC-YMTOWFKASA-N 2 0 234.318 1.868 20 0 BDADRP CC[C@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)CCS1 ZINC000252681501 397811303 /nfs/dbraw/zinc/81/13/03/397811303.db2.gz AIIVTJRPLMAWSI-RYUDHWBXSA-N 2 0 228.405 1.813 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCCCO1 ZINC000382300545 397934114 /nfs/dbraw/zinc/93/41/14/397934114.db2.gz TUOAXGLYGORCEJ-LOWDOPEQSA-N 2 0 226.364 1.804 20 0 BDADRP [NH3+]C1(c2noc([C@@H]3CC[C@@H](C4CC4)[NH2+]3)n2)CCC1 ZINC000650227692 397997471 /nfs/dbraw/zinc/99/74/71/397997471.db2.gz IWRWTXYLRHPAEZ-UWVGGRQHSA-N 2 0 248.330 1.611 20 0 BDADRP [NH3+]C1(c2noc([C@@H]3CCC[NH2+]CC3)n2)CCC1 ZINC000650228149 397998063 /nfs/dbraw/zinc/99/80/63/397998063.db2.gz VBYKHWIILWSFSU-SECBINFHSA-N 2 0 236.319 1.265 20 0 BDADRP C[NH+]1CCC[C@@H]1CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000649617652 398000401 /nfs/dbraw/zinc/00/04/01/398000401.db2.gz RYQLYYFEVCIZNT-KGLIPLIRSA-N 2 0 237.391 1.108 20 0 BDADRP CO[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)C1CC1 ZINC000383229359 398011728 /nfs/dbraw/zinc/01/17/28/398011728.db2.gz MUCPTGXUGCPGOC-SMDDNHRTSA-N 2 0 240.391 1.731 20 0 BDADRP CCC[N@@H+](CC(=O)OC)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414676560 398014510 /nfs/dbraw/zinc/01/45/10/398014510.db2.gz VGXBZNLFJXOUME-NWDGAFQWSA-N 2 0 242.363 1.260 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+]Cc2cocn2)CC1 ZINC000277004347 398025654 /nfs/dbraw/zinc/02/56/54/398025654.db2.gz KEWUBUCCRFHFET-UHFFFAOYSA-N 2 0 223.320 1.496 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000414826540 398048855 /nfs/dbraw/zinc/04/88/55/398048855.db2.gz FQEHQFGKWGMMEL-IHRRRGAJSA-N 3 0 239.407 1.306 20 0 BDADRP Cc1ccc(CCC[NH2+]C[C@H]([NH3+])C(C)C)cn1 ZINC000414792155 398038703 /nfs/dbraw/zinc/03/87/03/398038703.db2.gz IVGHJBCCJQKXSK-AWEZNQCLSA-N 2 0 235.375 1.896 20 0 BDADRP CC(C)[C@H]([NH3+])C[NH2+]C1Cc2ccccc2C1 ZINC000414792115 398039027 /nfs/dbraw/zinc/03/90/27/398039027.db2.gz IQBRHZICJCMWFH-CQSZACIVSA-N 2 0 218.344 1.727 20 0 BDADRP CCC[C@H](C[NH2+]CC1=CC[N@H+](C)CC1)OC ZINC000392292266 398049923 /nfs/dbraw/zinc/04/99/23/398049923.db2.gz MURSIYPYJNOBIG-CYBMUJFWSA-N 2 0 226.364 1.653 20 0 BDADRP COC[C@@H](C)C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000054243814 397972631 /nfs/dbraw/zinc/97/26/31/397972631.db2.gz HPZCPULEFGPAFR-RYUDHWBXSA-N 2 0 214.353 1.200 20 0 BDADRP COc1cc(CN[C@@H]2CCC[NH2+]C2)ccc1C ZINC000414875144 398077950 /nfs/dbraw/zinc/07/79/50/398077950.db2.gz ZUFTVKYAWMCGEE-CYBMUJFWSA-N 2 0 234.343 1.845 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(CC3CC3)C2)[C@H](C)O1 ZINC000648450013 398051866 /nfs/dbraw/zinc/05/18/66/398051866.db2.gz JJBIHJHTWAAQIL-WVWOOGAGSA-N 2 0 238.375 1.626 20 0 BDADRP C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CCN(CC2CC2)C1 ZINC000648449977 398051895 /nfs/dbraw/zinc/05/18/95/398051895.db2.gz DETJPSZVBJGESC-RTXFEEFZSA-N 2 0 240.416 1.812 20 0 BDADRP FC1(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000556952763 398058737 /nfs/dbraw/zinc/05/87/37/398058737.db2.gz PAWICOBVFBUNFY-WDEREUQCSA-N 2 0 212.312 1.466 20 0 BDADRP CO[C@@H](C)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322737756 398111282 /nfs/dbraw/zinc/11/12/82/398111282.db2.gz VXVREWIVHOAPEN-PBYDBYKOSA-N 2 0 226.364 1.625 20 0 BDADRP C[NH2+]CCC1CC[NH+](CCc2cn[nH]c2)CC1 ZINC000310246683 398130545 /nfs/dbraw/zinc/13/05/45/398130545.db2.gz FBEHNWNDMTZNEX-UHFFFAOYSA-N 2 0 236.363 1.274 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2O)CC1 ZINC000134763562 487535995 /nfs/dbraw/zinc/53/59/95/487535995.db2.gz XPNOJZZLPAJHGH-STQMWFEESA-N 2 0 226.364 1.362 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000336697891 487557535 /nfs/dbraw/zinc/55/75/35/487557535.db2.gz OLFKXRNXOJTZMJ-WOPDTQHZSA-N 2 0 214.353 1.255 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@](C)(O)C1CC1 ZINC000336684214 175663556 /nfs/dbraw/zinc/66/35/56/175663556.db2.gz KFEZIWSGZXFCLH-CMPLNLGQSA-N 2 0 214.353 1.255 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)CS1 ZINC000086935749 487586002 /nfs/dbraw/zinc/58/60/02/487586002.db2.gz COIWEMMBKHNNMU-WDEREUQCSA-N 2 0 216.394 1.812 20 0 BDADRP CC(C)OC[C@H](C)[NH2+]CCC[NH+](C)C ZINC000308647873 167263244 /nfs/dbraw/zinc/26/32/44/167263244.db2.gz IOUBAIABUAKLOP-NSHDSACASA-N 2 0 202.342 1.341 20 0 BDADRP [NH3+]CCC[NH2+]Cc1ccccc1-n1cccn1 ZINC000135296432 487589566 /nfs/dbraw/zinc/58/95/66/487589566.db2.gz CQBVABNXXSTHSK-UHFFFAOYSA-N 2 0 230.315 1.311 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCCC2)CS1 ZINC000086934489 487590651 /nfs/dbraw/zinc/59/06/51/487590651.db2.gz CMIGOCZCIOJUEZ-NWDGAFQWSA-N 2 0 228.405 1.956 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)CS1 ZINC000086935661 487593317 /nfs/dbraw/zinc/59/33/17/487593317.db2.gz ZVFBKKYLJKXTAH-CMPLNLGQSA-N 2 0 228.405 1.812 20 0 BDADRP c1[nH+]cn2cc(C[NH2+][C@H]3CCCOC3)ccc12 ZINC000297558358 487603565 /nfs/dbraw/zinc/60/35/65/487603565.db2.gz QIKHGVDMHWQEMC-LBPRGKRZSA-N 2 0 231.299 1.603 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1)C1CCCC1 ZINC000662265846 409562088 /nfs/dbraw/zinc/56/20/88/409562088.db2.gz JEVUVYFEKZQZTR-KWCYVHTRSA-N 2 0 240.391 1.861 20 0 BDADRP CO[C@@H](CN1CC[C@@H]([NH3+])C1)C1CCCC1 ZINC000662241291 409528126 /nfs/dbraw/zinc/52/81/26/409528126.db2.gz RWBFLFXFSZKLJF-NEPJUHHUSA-N 2 0 212.337 1.225 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](C[C@@H](OC)C2CCCC2)C1 ZINC000662244138 409534869 /nfs/dbraw/zinc/53/48/69/409534869.db2.gz CRKCLSGTRUXEJG-TZMCWYRMSA-N 2 0 240.391 1.733 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](C[C@H](OC)C2CCCC2)C1 ZINC000662244137 409535700 /nfs/dbraw/zinc/53/57/00/409535700.db2.gz CRKCLSGTRUXEJG-OCCSQVGLSA-N 2 0 240.391 1.733 20 0 BDADRP C(C[N@@H+]1CCC[C@@H]2OCC[C@@H]21)C1CC[NH2+]CC1 ZINC000662297087 409626564 /nfs/dbraw/zinc/62/65/64/409626564.db2.gz AAIOAVRXTDFPMH-KBPBESRZSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@]12COC[C@H]1C[N@H+](CCC1CC[NH2+]CC1)C2 ZINC000662310195 409633123 /nfs/dbraw/zinc/63/31/23/409633123.db2.gz HPYROSCTNAMCAI-KGLIPLIRSA-N 2 0 238.375 1.344 20 0 BDADRP C[NH+](C)CCC[C@@H]1C[N@H+](CC2CCC2)CCO1 ZINC000662318904 409637363 /nfs/dbraw/zinc/63/73/63/409637363.db2.gz ARPUVEORNFXOMX-CQSZACIVSA-N 2 0 240.391 1.829 20 0 BDADRP FC1(F)C[C@@H]1OCCN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000662274824 409584251 /nfs/dbraw/zinc/58/42/51/409584251.db2.gz XIZVHJIJOGDFAY-MXWKQRLJSA-N 2 0 246.301 1.094 20 0 BDADRP C[N@H+](Cc1cccc2c1CC[NH2+]C2)C1CC([NH3+])C1 ZINC000662274935 409585165 /nfs/dbraw/zinc/58/51/65/409585165.db2.gz ZBSBUVBMZLKNJP-UHFFFAOYSA-N 3 0 245.370 1.254 20 0 BDADRP CO[C@@H](C[N@@H+]1CC[C@@](C)(C[NH3+])C1)C1CCCC1 ZINC000662274788 409585436 /nfs/dbraw/zinc/58/54/36/409585436.db2.gz ZYDZMYHFHSWXJS-KBPBESRZSA-N 2 0 240.391 1.862 20 0 BDADRP C1=CCC(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000662274961 409586249 /nfs/dbraw/zinc/58/62/49/409586249.db2.gz ZNRIDYKDBRJDDZ-OLZOCXBDSA-N 2 0 206.333 1.636 20 0 BDADRP CC(C)=CCC[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000662277480 409593769 /nfs/dbraw/zinc/59/37/69/409593769.db2.gz VFJDVQNBMKEIJG-CQSZACIVSA-N 2 0 237.391 1.322 20 0 BDADRP C1=CCC(C[NH+]2CCC3(CC[NH2+]3)CC2)C1 ZINC000662284341 409615153 /nfs/dbraw/zinc/61/51/53/409615153.db2.gz VGSXFEUWAKMHKL-UHFFFAOYSA-N 2 0 206.333 1.781 20 0 BDADRP CC[N@@H+]1CCCN(C[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC000660790036 409748741 /nfs/dbraw/zinc/74/87/41/409748741.db2.gz TYIATRZBMVTPFJ-ZIAGYGMSSA-N 2 0 239.407 1.497 20 0 BDADRP COc1cc(C)nc(CN2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000214068558 409793468 /nfs/dbraw/zinc/79/34/68/409793468.db2.gz DIEGNJCHXUMNGW-NWDGAFQWSA-N 2 0 249.358 1.710 20 0 BDADRP C[C@H](CCNC(=O)[C@H]([NH3+])c1ccccc1)[NH+](C)C ZINC000662636587 409806831 /nfs/dbraw/zinc/80/68/31/409806831.db2.gz ZJOVPYZLIYMBBH-DGCLKSJQSA-N 2 0 249.358 1.143 20 0 BDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)CC1([NH3+])CC1 ZINC000662791867 409921402 /nfs/dbraw/zinc/92/14/02/409921402.db2.gz NJBRCYGGUGILAQ-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)c1cccc2c1C[NH2+]C2 ZINC000662818843 409931951 /nfs/dbraw/zinc/93/19/51/409931951.db2.gz BFGOTCWGSAASSF-UWVGGRQHSA-N 2 0 247.342 1.145 20 0 BDADRP CC[NH+]1CCC([NH2+]CCOCCF)CC1 ZINC000663462944 410257713 /nfs/dbraw/zinc/25/77/13/410257713.db2.gz ITBZTRUHIWADFR-UHFFFAOYSA-N 2 0 218.316 1.046 20 0 BDADRP COCC[NH2+]C1CC[NH+](CC2(C)CCC2)CC1 ZINC000650704571 410335767 /nfs/dbraw/zinc/33/57/67/410335767.db2.gz IKRDYXDFBSUQTH-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP [NH3+]CC1(CC[NH2+]Cc2cnc3ccccn23)CC1 ZINC000650712541 410342275 /nfs/dbraw/zinc/34/22/75/410342275.db2.gz JELIQPRVBSJOBH-UHFFFAOYSA-N 2 0 244.342 1.553 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1cnn(C)c1 ZINC000650718329 410355612 /nfs/dbraw/zinc/35/56/12/410355612.db2.gz HLQRYOPHUJPLJE-UHFFFAOYSA-N 2 0 244.342 1.429 20 0 BDADRP CCCC[C@@H](COC)[NH2+]CCC1(C[NH3+])CC1 ZINC000650714355 410347043 /nfs/dbraw/zinc/34/70/43/410347043.db2.gz ZVTQBDIYGVJOJO-LBPRGKRZSA-N 2 0 228.380 1.910 20 0 BDADRP CC[NH+]1CCC([NH2+]CCC2(C[NH3+])CC2)CC1 ZINC000650714347 410347532 /nfs/dbraw/zinc/34/75/32/410347532.db2.gz ZQTQWRFMGXMMNT-UHFFFAOYSA-N 3 0 225.380 1.189 20 0 BDADRP [NH3+]CC1(C[NH2+][C@H]2CNc3ccccc3C2)CC1 ZINC000650715366 410349975 /nfs/dbraw/zinc/34/99/75/410349975.db2.gz ZPKAHBQCZGEXAB-GFCCVEGCSA-N 2 0 231.343 1.352 20 0 BDADRP [NH3+]CC1(C[NH2+][C@@H]2CNc3ccccc3C2)CC1 ZINC000650715367 410351877 /nfs/dbraw/zinc/35/18/77/410351877.db2.gz ZPKAHBQCZGEXAB-LBPRGKRZSA-N 2 0 231.343 1.352 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+]C1CCOCC1 ZINC000650719057 410355882 /nfs/dbraw/zinc/35/58/82/410355882.db2.gz BIVJTWLLUWCARP-UHFFFAOYSA-N 2 0 234.343 1.675 20 0 BDADRP Cc1c[nH]nc1CNCc1ccc(C[NH3+])cc1F ZINC000650716997 410354871 /nfs/dbraw/zinc/35/48/71/410354871.db2.gz PBJSKLLIHBCVDQ-UHFFFAOYSA-N 2 0 248.305 1.606 20 0 BDADRP C[N@@H+]1CCN(CCC[NH3+])[C@@H](Cc2ccccc2)C1 ZINC000650720523 410358496 /nfs/dbraw/zinc/35/84/96/410358496.db2.gz RUWNZOGNAOHECB-HNNXBMFYSA-N 2 0 247.386 1.194 20 0 BDADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1cscn1 ZINC000650745143 410382292 /nfs/dbraw/zinc/38/22/92/410382292.db2.gz ADULGEZWAZIGLL-SECBINFHSA-N 2 0 225.361 1.923 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]CCC2(C[NH3+])CC2)C1(C)C ZINC000650745920 410384701 /nfs/dbraw/zinc/38/47/01/410384701.db2.gz QVJYHLNFFYGYAQ-VXGBXAGGSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650747669 410387377 /nfs/dbraw/zinc/38/73/77/410387377.db2.gz FLSBUDQPJAJIHJ-NWDGAFQWSA-N 3 0 225.380 1.093 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@H]1CNc2ccccc2C1 ZINC000650748122 410387810 /nfs/dbraw/zinc/38/78/10/410387810.db2.gz NMWYUQGGODIFNW-GZBFAFLISA-N 2 0 245.370 1.740 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CNc2ccccc2C1)C1C[NH2+]C1 ZINC000650748269 410388063 /nfs/dbraw/zinc/38/80/63/410388063.db2.gz QYSLJCZXAKIEHS-MFKMUULPSA-N 2 0 231.343 1.221 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650755783 410400464 /nfs/dbraw/zinc/40/04/64/410400464.db2.gz MQRQMERNCXKGEY-VHSXEESVSA-N 3 0 239.338 1.500 20 0 BDADRP [NH3+]Cc1ccc(CN[C@@H]2CCC[C@H]2[NH3+])c(F)c1 ZINC000650756180 410401462 /nfs/dbraw/zinc/40/14/62/410401462.db2.gz WBHKXTAADOWUQQ-CHWSQXEVSA-N 2 0 237.322 1.254 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+]C1CCC(O)CC1 ZINC000650757214 410403872 /nfs/dbraw/zinc/40/38/72/410403872.db2.gz ROUWDEPPOJKYNH-UHFFFAOYSA-N 2 0 248.370 1.799 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)COCC1CC1 ZINC000650761318 410409125 /nfs/dbraw/zinc/40/91/25/410409125.db2.gz XLUVTHMQOLXDLD-DCAQKATOSA-N 2 0 214.353 1.517 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCC1CC[NH2+]CC1 ZINC000650762165 410411804 /nfs/dbraw/zinc/41/18/04/410411804.db2.gz VQDXMSHBHBAEAO-WDEREUQCSA-N 3 0 213.369 1.092 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650762979 410412105 /nfs/dbraw/zinc/41/21/05/410412105.db2.gz OIHZOJOBSPSCLM-JQWIXIFHSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1nccn1C ZINC000650763308 410413754 /nfs/dbraw/zinc/41/37/54/410413754.db2.gz XLJUDOCMEXIJPY-LLVKDONJSA-N 2 0 236.363 1.460 20 0 BDADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)C1CCOCC1 ZINC000650764203 410414545 /nfs/dbraw/zinc/41/45/45/410414545.db2.gz SLRBKGRLMANGHP-LBPRGKRZSA-N 2 0 240.391 1.781 20 0 BDADRP Cc1c[nH]nc1CN[C@@H](C)CC[NH+](C)C ZINC000289693336 410580865 /nfs/dbraw/zinc/58/08/65/410580865.db2.gz BKGXXJCZNBAURM-JTQLQIEISA-N 2 0 210.325 1.148 20 0 BDADRP CC[NH+](CC)CC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000236842434 169765988 /nfs/dbraw/zinc/76/59/88/169765988.db2.gz PFDXRPNLWSMZLR-ZDUSSCGKSA-N 2 0 249.358 1.144 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1cccc(N)c1 ZINC000665232939 410723943 /nfs/dbraw/zinc/72/39/43/410723943.db2.gz YBINCJXNKAFNAZ-LEWSCRJBSA-N 2 0 249.358 1.111 20 0 BDADRP COC1CC(CC[NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000665230706 410724829 /nfs/dbraw/zinc/72/48/29/410724829.db2.gz UIAVCGMRKBAYDT-KPFVRQRISA-N 2 0 226.364 1.519 20 0 BDADRP COC1CC(CC[NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000665230709 410725021 /nfs/dbraw/zinc/72/50/21/410725021.db2.gz UIAVCGMRKBAYDT-PYNQCMFNSA-N 2 0 226.364 1.519 20 0 BDADRP C([NH2+][C@@H]1CCC12CCC2)C12CC(C1)C[NH2+]2 ZINC000665279617 410754912 /nfs/dbraw/zinc/75/49/12/410754912.db2.gz HHJIJTVWIBBDCX-QWKFWESOSA-N 2 0 206.333 1.661 20 0 BDADRP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000665298507 410830885 /nfs/dbraw/zinc/83/08/85/410830885.db2.gz XFHIFRKFGIDESH-IGQOVBAYSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@H]([NH2+]CCC[NH2+]C1CC1)C1CC[NH+](C)CC1 ZINC000396525193 410889513 /nfs/dbraw/zinc/88/95/13/410889513.db2.gz PDMMUVBHDNGHPT-LBPRGKRZSA-N 3 0 239.407 1.448 20 0 BDADRP CC(C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000119631003 167094736 /nfs/dbraw/zinc/09/47/36/167094736.db2.gz HWHVTWSENYGXPR-UHFFFAOYSA-N 2 0 213.369 1.010 20 0 BDADRP CC(C)[NH2+]CCN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000370467356 167104063 /nfs/dbraw/zinc/10/40/63/167104063.db2.gz BDXSVTJYDTVMBK-AWEZNQCLSA-N 2 0 239.407 1.545 20 0 BDADRP CC(C)OCCC[NH+]1CCC(C[NH3+])CC1 ZINC000309383729 167213052 /nfs/dbraw/zinc/21/30/52/167213052.db2.gz DRXXJKRBTNVHOI-UHFFFAOYSA-N 2 0 214.353 1.472 20 0 BDADRP CC(C)O[C@H]1C[C@H]([NH2+]CCN(C)C)C1(C)C ZINC000336752079 167282560 /nfs/dbraw/zinc/28/25/60/167282560.db2.gz VKWAAUQCCBCXCU-RYUDHWBXSA-N 2 0 228.380 1.730 20 0 BDADRP CC(C)[C@@H](C[NH2+]CC1CC1)N1CC[NH+](C)CC1 ZINC000040770256 167398353 /nfs/dbraw/zinc/39/83/53/167398353.db2.gz OWCYKVFUTITLRM-CQSZACIVSA-N 2 0 239.407 1.258 20 0 BDADRP CCO[C@@H]1CCCN(CC(C)(C)[NH3+])C1 ZINC000042425558 411005404 /nfs/dbraw/zinc/00/54/04/411005404.db2.gz NWISSPOWZRFQTP-SNVBAGLBSA-N 2 0 200.326 1.225 20 0 BDADRP CC[NH+]1CCC(C[NH2+]CC(C)(C)O)CC1 ZINC000044518463 411137092 /nfs/dbraw/zinc/13/70/92/411137092.db2.gz VUTGHTKFMSMTBB-UHFFFAOYSA-N 2 0 214.353 1.079 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2COC(C)(C)C2)C1 ZINC000659989134 411159375 /nfs/dbraw/zinc/15/93/75/411159375.db2.gz CLRYRCGZAIGBMW-QWHCGFSZSA-N 2 0 240.391 1.828 20 0 BDADRP C([C@@H]1CC[NH2+]C1)[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000655945731 411161321 /nfs/dbraw/zinc/16/13/21/411161321.db2.gz GAMITFYJASFUME-OCCSQVGLSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@H](CCCO)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401037968 411173155 /nfs/dbraw/zinc/17/31/55/411173155.db2.gz ZQRHBCIKHDCOSD-FVCCEPFGSA-N 2 0 226.364 1.125 20 0 BDADRP C[C@H](Cn1ccnc1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401022781 411173355 /nfs/dbraw/zinc/17/33/55/411173355.db2.gz LTCIXYAXSTYFAW-ZOBORPQBSA-N 2 0 248.374 1.249 20 0 BDADRP C1=C(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCOC1 ZINC000401026719 411173381 /nfs/dbraw/zinc/17/33/81/411173381.db2.gz JRNXEVPYXYFAFV-MGPQQGTHSA-N 2 0 236.359 1.311 20 0 BDADRP COC1([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)CCC1 ZINC000657936566 411173369 /nfs/dbraw/zinc/17/33/69/411173369.db2.gz GHIOLEIZOSNUPP-LBPRGKRZSA-N 2 0 238.375 1.796 20 0 BDADRP CCC[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)OC ZINC000401051235 411174241 /nfs/dbraw/zinc/17/42/41/411174241.db2.gz YFHOEMPZSCHYJE-REWJHTLYSA-N 2 0 240.391 1.779 20 0 BDADRP CC[C@H](CCO)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401083535 411176339 /nfs/dbraw/zinc/17/63/39/411176339.db2.gz TVYWLFWICLIZIV-YVECIDJPSA-N 2 0 226.364 1.125 20 0 BDADRP CC[C@H](CCO)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401083529 411176511 /nfs/dbraw/zinc/17/65/11/411176511.db2.gz TVYWLFWICLIZIV-FDYHWXHSSA-N 2 0 226.364 1.125 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCOC1 ZINC000401153460 411178662 /nfs/dbraw/zinc/17/86/62/411178662.db2.gz QFJFFWQJASLSEX-AAVRWANBSA-N 2 0 238.375 1.391 20 0 BDADRP C[N@H+](CCN1CC[NH2+]CC1)CCC(C)(C)C ZINC000070800419 411183516 /nfs/dbraw/zinc/18/35/16/411183516.db2.gz PMHQUBXJKDWXBL-UHFFFAOYSA-N 2 0 227.396 1.260 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CO[C@@H](C)C1 ZINC000402033849 411193551 /nfs/dbraw/zinc/19/35/51/411193551.db2.gz ZUPGSLGRMMQRJX-OUAUKWLOSA-N 2 0 200.326 1.271 20 0 BDADRP C[C@@H](C(=O)NC(C)(C)CCC[NH+](C)C)[NH+](C)C ZINC000653845243 411199068 /nfs/dbraw/zinc/19/90/68/411199068.db2.gz WHWPFMORWYRNHX-NSHDSACASA-N 2 0 243.395 1.173 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000656193698 411199321 /nfs/dbraw/zinc/19/93/21/411199321.db2.gz PPMFPGAFWHMNOQ-HUUCEWRRSA-N 3 0 247.386 1.766 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCn3ccnc3C2)C1 ZINC000656197952 411203209 /nfs/dbraw/zinc/20/32/09/411203209.db2.gz FFYHBOYIOIHERD-WOPDTQHZSA-N 2 0 234.347 1.057 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000656197374 411203327 /nfs/dbraw/zinc/20/33/27/411203327.db2.gz DCVJUIJKSHSDFB-RDBSUJKOSA-N 3 0 237.391 1.330 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCc2ccc(CO)cc2)C1 ZINC000656198083 411203448 /nfs/dbraw/zinc/20/34/48/411203448.db2.gz HHMMVJJYTWILRE-LSDHHAIUSA-N 2 0 248.370 1.581 20 0 BDADRP C[C@H](C[NH3+])N(C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652336041 411204854 /nfs/dbraw/zinc/20/48/54/411204854.db2.gz ZSSASPITAVEHRF-LLVKDONJSA-N 2 0 233.359 1.111 20 0 BDADRP COC[C@@H](CC(C)(C)C)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000656202153 411205916 /nfs/dbraw/zinc/20/59/16/411205916.db2.gz ZEHQTELIFROALT-CMPLNLGQSA-N 2 0 228.380 1.635 20 0 BDADRP C[NH2+]C[C@](C)(O)C[N@H+](C)CCC(C)(C)C ZINC000652341671 411206473 /nfs/dbraw/zinc/20/64/73/411206473.db2.gz FYOBFTKKOKWMBX-LBPRGKRZSA-N 2 0 216.369 1.325 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000656201339 411206722 /nfs/dbraw/zinc/20/67/22/411206722.db2.gz WABTVOHTDFMIKX-LCKMOKORSA-N 3 0 239.407 1.434 20 0 BDADRP COCC1(C[NH2+][C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000656201796 411207341 /nfs/dbraw/zinc/20/73/41/411207341.db2.gz ZMYCYASFKWLMQQ-UWVGGRQHSA-N 2 0 200.326 1.128 20 0 BDADRP O[C@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000652353374 411212560 /nfs/dbraw/zinc/21/25/60/411212560.db2.gz CCIBNAOLZMNWIO-HNNXBMFYSA-N 2 0 246.354 1.289 20 0 BDADRP CC(C)[C@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000658107287 411247625 /nfs/dbraw/zinc/24/76/25/411247625.db2.gz GKYQRVCOECFEPF-KBPBESRZSA-N 2 0 243.439 1.893 20 0 BDADRP CC(C)OCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400955465 411166526 /nfs/dbraw/zinc/16/65/26/411166526.db2.gz JEZIWTIODQCQPE-MELADBBJSA-N 2 0 240.391 1.779 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400974095 411167231 /nfs/dbraw/zinc/16/72/31/411167231.db2.gz QYOFLCMVUSGZIA-YIYPIFLZSA-N 2 0 240.391 1.373 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000400975328 411167433 /nfs/dbraw/zinc/16/74/33/411167433.db2.gz OVVXPBDAGDYMFW-XVIXHAIJSA-N 2 0 238.375 1.532 20 0 BDADRP C1=CCN(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000400976512 411167599 /nfs/dbraw/zinc/16/75/99/411167599.db2.gz SAAGLUMVDZBHGE-SOUVJXGZSA-N 2 0 249.402 1.226 20 0 BDADRP COC[C@H]1CCC[N@@H+]1CCc1cncn1C ZINC000656453960 411276188 /nfs/dbraw/zinc/27/61/88/411276188.db2.gz HJVYMPBIBMNTNW-GFCCVEGCSA-N 2 0 223.320 1.073 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C1 ZINC000643509384 411279990 /nfs/dbraw/zinc/27/99/90/411279990.db2.gz KUGIHFYUYCTGGE-RWMBFGLXSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCc2ccoc2)CC[N@@H+]1C ZINC000658202072 411291194 /nfs/dbraw/zinc/29/11/94/411291194.db2.gz UPFZLGNAFRIDLK-YPMHNXCESA-N 2 0 222.332 1.894 20 0 BDADRP CC[C@@H]([NH2+]C)c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000656562210 411302172 /nfs/dbraw/zinc/30/21/72/411302172.db2.gz IQPQHSCAZHRYEJ-LLVKDONJSA-N 2 0 246.314 1.866 20 0 BDADRP CCN(CC)C[C@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000309322484 411324239 /nfs/dbraw/zinc/32/42/39/411324239.db2.gz HFDRYQUOZOGSAF-OLZOCXBDSA-N 2 0 229.412 1.824 20 0 BDADRP C[C@@H](C[NH2+]C1CC[NH2+]CC1)c1ccccn1 ZINC000656783323 411360098 /nfs/dbraw/zinc/36/00/98/411360098.db2.gz PCXGRKYGAOLKAH-NSHDSACASA-N 2 0 219.332 1.527 20 0 BDADRP C[C@@H]([NH3+])[C@H](C)NCc1ccc2c(c1)C[NH2+]CC2 ZINC000656784553 411361403 /nfs/dbraw/zinc/36/14/03/411361403.db2.gz BWSFUAIDBPKOCJ-MNOVXSKESA-N 2 0 233.359 1.158 20 0 BDADRP CCc1nn(C)cc1CN(C)CC(C)(C)[NH3+] ZINC000656783881 411361872 /nfs/dbraw/zinc/36/18/72/411361872.db2.gz VSTAHLNIAFQLJL-UHFFFAOYSA-N 2 0 224.352 1.152 20 0 BDADRP Nc1cccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000656786015 411364362 /nfs/dbraw/zinc/36/43/62/411364362.db2.gz SWSZYEHRYWABKJ-QWHCGFSZSA-N 2 0 219.332 1.628 20 0 BDADRP C[C@H]1C[C@H](C[NH2+]Cc2cccc(N)c2)CC[NH2+]1 ZINC000656786303 411364891 /nfs/dbraw/zinc/36/48/91/411364891.db2.gz VWDZQHPFSGTMRS-WCQYABFASA-N 2 0 233.359 1.747 20 0 BDADRP [NH3+]C1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCCC1 ZINC000656789582 411369384 /nfs/dbraw/zinc/36/93/84/411369384.db2.gz RPZFGDLERZZWTF-JHJVBQTASA-N 3 0 237.391 1.236 20 0 BDADRP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000656791751 411371909 /nfs/dbraw/zinc/37/19/09/411371909.db2.gz JLLXGYOPYRHAKJ-AGIUHOORSA-N 2 0 226.364 1.328 20 0 BDADRP CC1(C)[C@H]([NH2+]C2CCC([NH3+])CC2)[C@H]2CCO[C@H]21 ZINC000227072476 168004859 /nfs/dbraw/zinc/00/48/59/168004859.db2.gz OUNVKCQBZZBNLM-RKJHCZSYSA-N 2 0 238.375 1.659 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1C[C@@H]1CCCCO1 ZINC000216164688 411345286 /nfs/dbraw/zinc/34/52/86/411345286.db2.gz HLSTXJOTOCQHAY-UTUOFQBUSA-N 2 0 212.337 1.225 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC1(CO)CCCCC1 ZINC000125484007 411377098 /nfs/dbraw/zinc/37/70/98/411377098.db2.gz ZMTOCHQXWOPZSZ-QWHCGFSZSA-N 2 0 240.391 1.646 20 0 BDADRP CC1CC[NH+](CCC[NH2+][C@H]2CCOC2)CC1 ZINC000070964857 168179173 /nfs/dbraw/zinc/17/91/73/168179173.db2.gz GSWRSQASFVWXCB-ZDUSSCGKSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H](c1ccncc1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000309436175 411383253 /nfs/dbraw/zinc/38/32/53/411383253.db2.gz MWQBFPHAKWZNMD-WCQYABFASA-N 2 0 219.332 1.813 20 0 BDADRP CO[C@@H](C[N@@H+]1CC[C@@H](C[NH+](C)C)C1)C1CCC1 ZINC000659927430 411384022 /nfs/dbraw/zinc/38/40/22/411384022.db2.gz QKIRUHTVPFPIDK-JSGCOSHPSA-N 2 0 240.391 1.685 20 0 BDADRP Cc1cnccc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000129733583 411385723 /nfs/dbraw/zinc/38/57/23/411385723.db2.gz UCEVXXZQJRFHKK-CYBMUJFWSA-N 2 0 219.332 1.622 20 0 BDADRP Cc1cc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])on1 ZINC000404376644 411392654 /nfs/dbraw/zinc/39/26/54/411392654.db2.gz KYNONUQTLKMFSZ-GWCFXTLKSA-N 2 0 237.347 1.932 20 0 BDADRP CCC(CC)(C[NH3+])NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653050114 411405105 /nfs/dbraw/zinc/40/51/05/411405105.db2.gz BFTAZJJNLBDWLS-NSHDSACASA-N 2 0 241.379 1.010 20 0 BDADRP FC1(F)CC12CC[NH+](C[C@H]1CC[NH2+]C1)CC2 ZINC000405058240 411416027 /nfs/dbraw/zinc/41/60/27/411416027.db2.gz MFZXKZOMLNALMP-JTQLQIEISA-N 2 0 230.302 1.717 20 0 BDADRP CC[N@H+](C)C[C@@H](O)CN1Cc2ccccc2[C@H]1C ZINC000653562822 411421683 /nfs/dbraw/zinc/42/16/83/411421683.db2.gz LEVCHFUJULKHPS-TZMCWYRMSA-N 2 0 248.370 1.876 20 0 BDADRP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000414707562 411440209 /nfs/dbraw/zinc/44/02/09/411440209.db2.gz IAVBJZRVQBKPPF-SRVKXCTJSA-N 2 0 214.353 1.063 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@](C)(F)C2)CC[NH2+]1 ZINC000414755974 411443608 /nfs/dbraw/zinc/44/36/08/411443608.db2.gz IOJNFKVTLXEEGS-UTUOFQBUSA-N 2 0 214.328 1.808 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)CO1 ZINC000657285433 411444956 /nfs/dbraw/zinc/44/49/56/411444956.db2.gz FPRXKFMTBRFMPY-NWDGAFQWSA-N 2 0 228.380 1.731 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]CCC[NH+](C)C)CO1 ZINC000657287738 411446654 /nfs/dbraw/zinc/44/66/54/411446654.db2.gz ULFCVOJICMKKPX-GHMZBOCLSA-N 2 0 200.326 1.095 20 0 BDADRP CCOc1cccc(C[NH2+]CC[C@H]2CC[NH2+]C2)n1 ZINC000414838207 411450601 /nfs/dbraw/zinc/45/06/01/411450601.db2.gz VDVRDXFHTFTJBY-GFCCVEGCSA-N 2 0 249.358 1.570 20 0 BDADRP C(CC1CCC1)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000659850491 411476503 /nfs/dbraw/zinc/47/65/03/411476503.db2.gz QSBKQFUPCICRCJ-STQMWFEESA-N 2 0 208.349 1.718 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+][C@@H](C)CCCC[NH3+] ZINC000415011686 411488158 /nfs/dbraw/zinc/48/81/58/411488158.db2.gz HUZMQFIRQDZCED-RYUDHWBXSA-N 3 0 215.385 1.467 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@H+](CC2CC=CC2)C1 ZINC000659929026 411501427 /nfs/dbraw/zinc/50/14/27/411501427.db2.gz WIPCOOOROTWWLF-ZDUSSCGKSA-N 2 0 208.349 1.836 20 0 BDADRP CC[C@H]1C[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)CO1 ZINC000657427392 411504146 /nfs/dbraw/zinc/50/41/46/411504146.db2.gz MXPKQVXYEYEVGF-OLZOCXBDSA-N 2 0 224.348 1.405 20 0 BDADRP Cc1ncc(C[NH2+]C[C@@H]2CCSC2)n1C ZINC000657455505 411515675 /nfs/dbraw/zinc/51/56/75/411515675.db2.gz SAJLRYVEBRJQAW-JTQLQIEISA-N 2 0 225.361 1.571 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1nccn1C ZINC000655806134 411520293 /nfs/dbraw/zinc/52/02/93/411520293.db2.gz ZVNSFBJGUCWQMB-UTUOFQBUSA-N 2 0 236.363 1.411 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCSC2)C1 ZINC000655807965 411521685 /nfs/dbraw/zinc/52/16/85/411521685.db2.gz YENWHSURJJVYPE-GARJFASQSA-N 2 0 214.378 1.422 20 0 BDADRP COCC1(C[NH2+]C2CC[NH+](C(C)C)CC2)CC1 ZINC000655821247 411526328 /nfs/dbraw/zinc/52/63/28/411526328.db2.gz VCINOHSTRANTQW-UHFFFAOYSA-N 2 0 240.391 1.875 20 0 BDADRP CCc1ncc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cn1 ZINC000655824274 411526798 /nfs/dbraw/zinc/52/67/98/411526798.db2.gz HIWIILJCBXVQLZ-BJHJDKERSA-N 2 0 248.374 1.469 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(COC)CC2)[C@H](C)C1 ZINC000655817259 411528390 /nfs/dbraw/zinc/52/83/90/411528390.db2.gz JYKIUYJNFXEBRB-OLZOCXBDSA-N 2 0 240.391 1.733 20 0 BDADRP CC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371299443 170004257 /nfs/dbraw/zinc/00/42/57/170004257.db2.gz HAWMDVSBFFVRPD-GRYCIOLGSA-N 2 0 212.337 1.190 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+]C2CCOCC2)C1 ZINC000037484297 170008660 /nfs/dbraw/zinc/00/86/60/170008660.db2.gz PJCMVWKBNBQIRA-NSHDSACASA-N 2 0 212.337 1.097 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCO[C@@H]2C)C1 ZINC000120281468 170016027 /nfs/dbraw/zinc/01/60/27/170016027.db2.gz SLDVMTLEWAVPDO-IJLUTSLNSA-N 2 0 212.337 1.095 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccncc2)C1 ZINC000037484196 170016114 /nfs/dbraw/zinc/01/61/14/170016114.db2.gz PXYBXPAPGHKADS-CYBMUJFWSA-N 2 0 219.332 1.513 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccn(C)c2)C1 ZINC000085590813 170016565 /nfs/dbraw/zinc/01/65/65/170016565.db2.gz UORDSATTXYUXBQ-CYBMUJFWSA-N 2 0 221.348 1.457 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@@]2(C)CCCO2)C1 ZINC000340189019 170016570 /nfs/dbraw/zinc/01/65/70/170016570.db2.gz SIGVGVBEZJMWOJ-MGPQQGTHSA-N 2 0 240.391 1.875 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCOC2(C)C)C1 ZINC000328440713 170016674 /nfs/dbraw/zinc/01/66/74/170016674.db2.gz MJWXFPQWAMTDLR-VXGBXAGGSA-N 2 0 226.364 1.485 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CCOC2)[C@@H](C)C1 ZINC000336717193 170018632 /nfs/dbraw/zinc/01/86/32/170018632.db2.gz WEQIMNQLBVDWTG-MJBXVCDLSA-N 2 0 240.391 1.685 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CCOC2)C[C@@H]1C ZINC000336692754 170019859 /nfs/dbraw/zinc/01/98/59/170019859.db2.gz IRVYKIJNRODLQF-IHRRRGAJSA-N 2 0 240.391 1.828 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CCCO2)[C@@H](C)C1 ZINC000336712199 170019950 /nfs/dbraw/zinc/01/99/50/170019950.db2.gz RPLOZQBBNNFJSL-MJBXVCDLSA-N 2 0 240.391 1.828 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cnccn2)[C@H](C)C1 ZINC000341887059 170020278 /nfs/dbraw/zinc/02/02/78/170020278.db2.gz KEFQGJDNPRKXLA-OCCSQVGLSA-N 2 0 248.374 1.339 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN2C(C)(C)C)CO1 ZINC000657526154 411542881 /nfs/dbraw/zinc/54/28/81/411542881.db2.gz BIXHVIIJGDNUNH-UTUOFQBUSA-N 2 0 226.364 1.626 20 0 BDADRP OC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCC1 ZINC000657559775 411550805 /nfs/dbraw/zinc/55/08/05/411550805.db2.gz QSRDEZGBZBLGKI-MJBXVCDLSA-N 2 0 238.375 1.364 20 0 BDADRP CC[NH2+]Cc1cccc(NC(=O)CCC[NH3+])c1 ZINC000131649086 170128667 /nfs/dbraw/zinc/12/86/67/170128667.db2.gz LIRMKSOGALHYBJ-UHFFFAOYSA-N 2 0 235.331 1.474 20 0 BDADRP CCOC(=O)C1CCC([NH2+][C@H]2CC[NH2+]C2)CC1 ZINC000094087839 170192468 /nfs/dbraw/zinc/19/24/68/170192468.db2.gz DEBGEWWHYMEVCU-MCIGGMRASA-N 2 0 240.347 1.060 20 0 BDADRP CCOC1CC([NH2+][C@H]2CCCN(C)[C@H]2C)C1 ZINC000309648907 170330409 /nfs/dbraw/zinc/33/04/09/170330409.db2.gz NHMMBLKNJRYOKT-WTIISPKJSA-N 2 0 226.364 1.626 20 0 BDADRP CCOC1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000040690190 170332110 /nfs/dbraw/zinc/33/21/10/170332110.db2.gz BSYWNUGLBPULPW-LBPRGKRZSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@H]1CN(C)C[C@H]1[NH2+]C[C@H]1CCC[C@@H](C)O1 ZINC000657662607 411575585 /nfs/dbraw/zinc/57/55/85/411575585.db2.gz BONFVYSSVXROLN-UMSGYPCISA-N 2 0 226.364 1.484 20 0 BDADRP CCOCC(C)(C)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000339374460 170354747 /nfs/dbraw/zinc/35/47/47/170354747.db2.gz BUWBHAVLAJQEOV-GFCCVEGCSA-N 2 0 228.380 1.875 20 0 BDADRP CCOCCCC[NH2+][C@@H]1CN(CC)C[C@@H]1C ZINC000309470819 170369641 /nfs/dbraw/zinc/36/96/41/170369641.db2.gz QQCKNNHMPFMVJS-QWHCGFSZSA-N 2 0 228.380 1.733 20 0 BDADRP CCOCCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000336677447 170371528 /nfs/dbraw/zinc/37/15/28/170371528.db2.gz NYEBKJMZEKSCPS-UHFFFAOYSA-N 2 0 228.380 1.687 20 0 BDADRP CCOCCC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000120002138 170374828 /nfs/dbraw/zinc/37/48/28/170374828.db2.gz SPQJQGPXDYEWAX-LBPRGKRZSA-N 2 0 214.353 1.297 20 0 BDADRP CCOCCC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000336655787 170375424 /nfs/dbraw/zinc/37/54/24/170375424.db2.gz AAMJCZMEFGUDAM-LBPRGKRZSA-N 2 0 212.337 1.098 20 0 BDADRP CCOCC[N@H+](CC)C[C@@H]1CCC[NH2+]C1 ZINC000082537226 170394868 /nfs/dbraw/zinc/39/48/68/170394868.db2.gz GYMPXIHELVCDSP-GFCCVEGCSA-N 2 0 214.353 1.344 20 0 BDADRP FCCOCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000663338852 411629758 /nfs/dbraw/zinc/62/97/58/411629758.db2.gz OKTRYHMRIFGDLY-NEPJUHHUSA-N 2 0 230.327 1.189 20 0 BDADRP Cc1cc(CO)cc(NC2CC[NH+](C)CC2)n1 ZINC000663348259 411633655 /nfs/dbraw/zinc/63/36/55/411633655.db2.gz PKCNYXQLRXAMFF-UHFFFAOYSA-N 2 0 235.331 1.388 20 0 BDADRP C[NH+](C)CC(C)(C)C[NH2+][C@H]1COC2(CCC2)C1 ZINC000657816737 411605525 /nfs/dbraw/zinc/60/55/25/411605525.db2.gz NEVYXDRLFTZZFU-GFCCVEGCSA-N 2 0 240.391 1.875 20 0 BDADRP CCOCC[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660656050 411613136 /nfs/dbraw/zinc/61/31/36/411613136.db2.gz PINGXMAHOGXGJY-ZDUSSCGKSA-N 2 0 226.364 1.441 20 0 BDADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H]1CCCO1)C2 ZINC000660655067 411613430 /nfs/dbraw/zinc/61/34/30/411613430.db2.gz KGZUIUHWVHEEST-ZIAGYGMSSA-N 2 0 238.375 1.583 20 0 BDADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCc1cn[nH]c1)C2 ZINC000660661747 411614680 /nfs/dbraw/zinc/61/46/80/411614680.db2.gz FYWJYJWMRBHSBO-AWEZNQCLSA-N 2 0 248.374 1.370 20 0 BDADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(CO)cc2)CC[N@@H+]1C ZINC000133121541 411621515 /nfs/dbraw/zinc/62/15/15/411621515.db2.gz GOZIUUAOASGQDA-SWLSCSKDSA-N 2 0 248.370 1.751 20 0 BDADRP Cc1cc(CO)cc(NC[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000663578592 411705821 /nfs/dbraw/zinc/70/58/21/411705821.db2.gz GUFNOJUQBNLXQI-LBPRGKRZSA-N 2 0 249.358 1.636 20 0 BDADRP CC(C)[C@@H]1C[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)CCO1 ZINC000663497110 411678768 /nfs/dbraw/zinc/67/87/68/411678768.db2.gz BUWNUDUPQHBDSA-QPPOZKHWSA-N 2 0 238.375 1.532 20 0 BDADRP C([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)C12CC(C1)C[NH2+]2 ZINC000663498588 411681507 /nfs/dbraw/zinc/68/15/07/411681507.db2.gz QLUBJNAFZVQUDG-XLICRZQSSA-N 2 0 248.370 1.286 20 0 BDADRP C(N[C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C12CC(C1)C[NH2+]2 ZINC000663499939 411684030 /nfs/dbraw/zinc/68/40/30/411684030.db2.gz GWRZOOIYKLPQOM-CQKDUHAVSA-N 2 0 249.402 1.249 20 0 BDADRP C([NH2+]CC12CC(C1)C[NH2+]2)[C@H]1CCSC1 ZINC000663500494 411684333 /nfs/dbraw/zinc/68/43/33/411684333.db2.gz KTRVBZFTDUOLQV-KPPDAEKUSA-N 2 0 212.362 1.081 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccc(N)nc1 ZINC000663501060 411686497 /nfs/dbraw/zinc/68/64/97/411686497.db2.gz ZFENPJGQCVQNMA-LLVKDONJSA-N 2 0 222.336 1.127 20 0 BDADRP CC[N@@H+]1CC[C@@H](NCC[C@@H]([NH3+])C(C)C)[C@@H](C)C1 ZINC000663504147 411687009 /nfs/dbraw/zinc/68/70/09/411687009.db2.gz WVIGLINYJYFUHP-BFHYXJOUSA-N 2 0 241.423 1.680 20 0 BDADRP CC[N@@H+]1CC[C@@H](NCC[C@@H]([NH3+])C(C)C)[C@H](C)C1 ZINC000663504149 411687804 /nfs/dbraw/zinc/68/78/04/411687804.db2.gz WVIGLINYJYFUHP-MGPQQGTHSA-N 2 0 241.423 1.680 20 0 BDADRP CCn1nccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000663512036 411691984 /nfs/dbraw/zinc/69/19/84/411691984.db2.gz DWAWJQVMGDHZSJ-JHJVBQTASA-N 2 0 248.374 1.381 20 0 BDADRP CCn1nccc1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000663513188 411694292 /nfs/dbraw/zinc/69/42/92/411694292.db2.gz JJVVCHWSCXVSSH-UHFFFAOYSA-N 2 0 236.363 1.510 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2COC[C@]2(C)C1 ZINC000661701983 411848190 /nfs/dbraw/zinc/84/81/90/411848190.db2.gz UFLMNFJFECZFSC-MCIONIFRSA-N 2 0 238.375 1.439 20 0 BDADRP O[C@@H]1C[C@@H]([NH2+]CCN2CCCCC2)C12CCC2 ZINC000661830914 411895216 /nfs/dbraw/zinc/89/52/16/411895216.db2.gz LDUQUBZTHRLSQB-CHWSQXEVSA-N 2 0 238.375 1.365 20 0 BDADRP CC[C@@H](CSC)[NH2+][C@H](C)CCC[NH3+] ZINC000308198836 170852984 /nfs/dbraw/zinc/85/29/84/170852984.db2.gz OQKOFPHUVQCYNU-ZJUUUORDSA-N 2 0 204.383 1.845 20 0 BDADRP c1cc(CN2CCC[NH2+]CC2)c2c(c1)C[NH2+]CC2 ZINC000662239974 412036999 /nfs/dbraw/zinc/03/69/99/412036999.db2.gz HAFCMJRUVXFWIB-UHFFFAOYSA-N 2 0 245.370 1.128 20 0 BDADRP C[NH2+][C@@H]1CCN(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662239709 412037219 /nfs/dbraw/zinc/03/72/19/412037219.db2.gz FSXFYNIYRBNBIX-CQSZACIVSA-N 2 0 245.370 1.126 20 0 BDADRP Cc1cc(CN2CCC[C@@H]([C@H](C)[NH3+])C2)ncn1 ZINC000662244968 412040820 /nfs/dbraw/zinc/04/08/20/412040820.db2.gz KHMLACWFYIJWMJ-NWDGAFQWSA-N 2 0 234.347 1.344 20 0 BDADRP CO[C@@H](C[NH2+][C@@](C)(C[NH3+])C1CC1)C1CCC1 ZINC000662247919 412044214 /nfs/dbraw/zinc/04/42/14/412044214.db2.gz OOLZQCHHECSPLW-STQMWFEESA-N 2 0 226.364 1.519 20 0 BDADRP CCc1nocc1CN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000662247104 412045016 /nfs/dbraw/zinc/04/50/16/412045016.db2.gz ZDQALEZZVGWWOF-ONGXEEELSA-N 2 0 223.320 1.406 20 0 BDADRP CCCC[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248875 412046004 /nfs/dbraw/zinc/04/60/04/412046004.db2.gz DLQLOGRVHRZHFO-NSHDSACASA-N 2 0 212.337 1.239 20 0 BDADRP C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CCCC1 ZINC000662249317 412046844 /nfs/dbraw/zinc/04/68/44/412046844.db2.gz SWPFFRJMVQDKKS-GFCCVEGCSA-N 2 0 224.348 1.382 20 0 BDADRP C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)CC(C)(C)C ZINC000662251360 412048399 /nfs/dbraw/zinc/04/83/99/412048399.db2.gz AQGXYACFTBBASM-LLVKDONJSA-N 2 0 226.364 1.485 20 0 BDADRP CC(C)C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C(C)C ZINC000662253452 412049051 /nfs/dbraw/zinc/04/90/51/412049051.db2.gz WBKXNSPXHZYRMJ-CYBMUJFWSA-N 2 0 240.391 1.874 20 0 BDADRP CC1(C)CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662256129 412051440 /nfs/dbraw/zinc/05/14/40/412051440.db2.gz GRVPXTIUHQCFLW-LBPRGKRZSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@@H]1CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)[C@@H]1C ZINC000662256974 412051864 /nfs/dbraw/zinc/05/18/64/412051864.db2.gz KVIBUHXAYIEEIV-UPJWGTAASA-N 2 0 238.375 1.628 20 0 BDADRP CC[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CCC1 ZINC000662257449 412051947 /nfs/dbraw/zinc/05/19/47/412051947.db2.gz SDPUCDSOJXLNGA-GFCCVEGCSA-N 2 0 224.348 1.382 20 0 BDADRP CC[C@H](C)C[N@H+](CC)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662258860 412053203 /nfs/dbraw/zinc/05/32/03/412053203.db2.gz MWMPVPJOELXIFE-QWHCGFSZSA-N 2 0 240.391 1.875 20 0 BDADRP CO[C@H](C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C)C1CCC1 ZINC000662264730 412056004 /nfs/dbraw/zinc/05/60/04/412056004.db2.gz JZZIBWUBGCERCY-GMXVVIOVSA-N 2 0 226.364 1.471 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662264249 412056177 /nfs/dbraw/zinc/05/61/77/412056177.db2.gz HADRUDYXUPLSLZ-NJMOYASZSA-N 2 0 208.349 1.702 20 0 BDADRP CO[C@H](C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C)C1CCC1 ZINC000662264729 412056594 /nfs/dbraw/zinc/05/65/94/412056594.db2.gz JZZIBWUBGCERCY-DMDPSCGWSA-N 2 0 226.364 1.471 20 0 BDADRP CO[C@H](C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C)C1CCCC1 ZINC000662266430 412057938 /nfs/dbraw/zinc/05/79/38/412057938.db2.gz YZCZLOVVKCDGMO-SGMGOOAPSA-N 2 0 240.391 1.861 20 0 BDADRP CC[C@@H]1CC[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000336758355 171059352 /nfs/dbraw/zinc/05/93/52/171059352.db2.gz JPSGBGVTTXJTPO-VXGBXAGGSA-N 2 0 214.353 1.343 20 0 BDADRP CC[C@@H]1CO[C@H](C)C[N@@H+]1CC1CC[NH2+]CC1 ZINC000042451977 171112122 /nfs/dbraw/zinc/11/21/22/171112122.db2.gz JHQOVMSFVBTHLZ-DGCLKSJQSA-N 2 0 226.364 1.485 20 0 BDADRP CC[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H]([NH3+])C2)CCO1 ZINC000346083261 171129277 /nfs/dbraw/zinc/12/92/77/171129277.db2.gz QSUKYNCTVXFONZ-JHJVBQTASA-N 2 0 226.364 1.615 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1)C1CCC1 ZINC000662280831 412071068 /nfs/dbraw/zinc/07/10/68/412071068.db2.gz GECCOVXTEAQBCX-IACUBPJLSA-N 2 0 240.391 1.718 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000662284813 412076902 /nfs/dbraw/zinc/07/69/02/412076902.db2.gz PQUPSSPJGBQRGY-HNNXBMFYSA-N 2 0 248.370 1.841 20 0 BDADRP CO[C@@H](C[NH2+][C@@H]1CCCC[C@H]1[NH3+])C1CCC1 ZINC000662283906 412074450 /nfs/dbraw/zinc/07/44/50/412074450.db2.gz RJHWWHFAQNIITK-UPJWGTAASA-N 2 0 226.364 1.661 20 0 BDADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H](C[NH3+])C(C)C ZINC000300424441 171305945 /nfs/dbraw/zinc/30/59/45/171305945.db2.gz TXPMSMVGWISGFH-NWDGAFQWSA-N 2 0 243.395 1.064 20 0 BDADRP CC[C@H](C)NC(=O)CN(C)CC[C@H]([NH3+])C(C)C ZINC000123696548 171324007 /nfs/dbraw/zinc/32/40/07/171324007.db2.gz MXMGFOVQZIWZCO-RYUDHWBXSA-N 2 0 243.395 1.206 20 0 BDADRP Cc1ccc(CC[NH2+]C2(CO)CC[NH2+]CC2)cc1 ZINC000662285979 412078231 /nfs/dbraw/zinc/07/82/31/412078231.db2.gz DGVXQSOVHOMDLH-UHFFFAOYSA-N 2 0 248.370 1.242 20 0 BDADRP c1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)on1 ZINC000662290947 412079226 /nfs/dbraw/zinc/07/92/26/412079226.db2.gz ALRLDLRCYXJJCG-CYBMUJFWSA-N 2 0 249.358 1.886 20 0 BDADRP C[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C(C)(C)C ZINC000662287127 412079479 /nfs/dbraw/zinc/07/94/79/412079479.db2.gz WHMWFLTZSVWXMM-JTQLQIEISA-N 2 0 212.337 1.238 20 0 BDADRP CN(CCC[NH+]1CCCCC1)CC(C)(C)[NH3+] ZINC000662293667 412081734 /nfs/dbraw/zinc/08/17/34/412081734.db2.gz HOEKBLFPDHJFQR-UHFFFAOYSA-N 2 0 227.396 1.532 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC2CC1(C)C2 ZINC000662385597 412138036 /nfs/dbraw/zinc/13/80/36/412138036.db2.gz XQRDOBYRRZNOHO-OTTFEQOBSA-N 2 0 208.349 1.955 20 0 BDADRP CC[C@H](C)[C@H](C)[NH2+][C@H](CCC[NH3+])COC ZINC000300025474 171391594 /nfs/dbraw/zinc/39/15/94/171391594.db2.gz SRURYULOBUJJCC-SDDRHHMPSA-N 2 0 216.369 1.765 20 0 BDADRP C[NH2+]CCCN1c2ccccc2CC[C@@H]1C[NH3+] ZINC000662304061 412088062 /nfs/dbraw/zinc/08/80/62/412088062.db2.gz DWJQPAHQQGGXTF-CYBMUJFWSA-N 2 0 233.359 1.376 20 0 BDADRP C[C@H](CO)[C@H]1CCCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000662301737 412089873 /nfs/dbraw/zinc/08/98/73/412089873.db2.gz SCKLWUSGUBCDLI-HZSPNIEDSA-N 2 0 240.391 1.469 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000662306628 412090539 /nfs/dbraw/zinc/09/05/39/412090539.db2.gz RINLTXXYPITIAG-CQSZACIVSA-N 2 0 240.391 1.864 20 0 BDADRP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]CCC[NH3+])cn1 ZINC000662310258 412093914 /nfs/dbraw/zinc/09/39/14/412093914.db2.gz IYWKMFFZQFWIFI-QWHCGFSZSA-N 2 0 236.363 1.070 20 0 BDADRP C(C[N@@H+]1CC[C@@H]2C[C@@H]2C1)C1CC[NH2+]CC1 ZINC000662315458 412096127 /nfs/dbraw/zinc/09/61/27/412096127.db2.gz PVOTUUVYTOVADB-CHWSQXEVSA-N 2 0 208.349 1.718 20 0 BDADRP [NH3+]CCC[NH+]1CCC(c2ccon2)CC1 ZINC000662317963 412098467 /nfs/dbraw/zinc/09/84/67/412098467.db2.gz UYPHUWJUEBLNAI-UHFFFAOYSA-N 2 0 209.293 1.203 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000662317606 412098565 /nfs/dbraw/zinc/09/85/65/412098565.db2.gz XVVZGTGUYDSLNH-WOPDTQHZSA-N 2 0 212.337 1.095 20 0 BDADRP CC1C[C@H]2CC[C@@H](C1)[N@H+]2CCOCC[NH3+] ZINC000662318999 412098710 /nfs/dbraw/zinc/09/87/10/412098710.db2.gz IQUGBMXCLLGNDG-YOGCLGLASA-N 2 0 212.337 1.225 20 0 BDADRP CC(C)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319256 412098993 /nfs/dbraw/zinc/09/89/93/412098993.db2.gz LLJZVIFAEQIYTM-ZDUSSCGKSA-N 2 0 228.380 1.685 20 0 BDADRP C[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)[C@@H]1CCC[NH3+] ZINC000662318271 412099261 /nfs/dbraw/zinc/09/92/61/412099261.db2.gz XNLUBENJFRPGGD-HZSPNIEDSA-N 3 0 239.407 1.435 20 0 BDADRP C[NH2+]CCC[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000662317241 412099361 /nfs/dbraw/zinc/09/93/61/412099361.db2.gz WFPYXFCKGUGULA-AWEZNQCLSA-N 2 0 240.391 1.877 20 0 BDADRP CC[C@@H](C)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321248 412100080 /nfs/dbraw/zinc/10/00/80/412100080.db2.gz ABDOHHFZIOJOOE-OLZOCXBDSA-N 2 0 228.380 1.828 20 0 BDADRP CO[C@@H](C)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662326189 412102739 /nfs/dbraw/zinc/10/27/39/412102739.db2.gz VZYBSNAFIGHQOZ-STQMWFEESA-N 2 0 244.379 1.064 20 0 BDADRP CC12CC(C1)C[N@@H+]2CC[C@H]1CCC[NH2+]C1 ZINC000662337036 412106815 /nfs/dbraw/zinc/10/68/15/412106815.db2.gz ILLKDFMGNBTKAY-PNESKVBLSA-N 2 0 208.349 1.860 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@H](CO)C1CCC1 ZINC000665235277 412175149 /nfs/dbraw/zinc/17/51/49/412175149.db2.gz SXTYEJYSVSMHQM-CMPLNLGQSA-N 2 0 214.353 1.255 20 0 BDADRP CC[C@H](COCC1CC1)[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000665236168 412175779 /nfs/dbraw/zinc/17/57/79/412175779.db2.gz ISFBPQQGPRLXOK-DMDPSCGWSA-N 2 0 228.380 1.907 20 0 BDADRP CC(C)(C)[N@@H+]1CC[C@H](N[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000665236748 412175837 /nfs/dbraw/zinc/17/58/37/412175837.db2.gz SSXZJOXHKBCWBI-AVGNSLFASA-N 2 0 239.407 1.576 20 0 BDADRP Cc1ccncc1CC[NH2+][C@@H]1CNCC[C@@H]1C ZINC000665239694 412181296 /nfs/dbraw/zinc/18/12/96/412181296.db2.gz XQWOSQRNGBUNTB-GXTWGEPZSA-N 2 0 233.359 1.520 20 0 BDADRP [NH3+][C@H]1C[C@@H](N[C@H]2CC[NH2+]C2)c2ccccc21 ZINC000665241777 412184471 /nfs/dbraw/zinc/18/44/71/412184471.db2.gz YXWXOGOOMSBLPT-TVYUQYBPSA-N 2 0 217.316 1.083 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCO[C@H]1CC1(F)F ZINC000665244656 412189292 /nfs/dbraw/zinc/18/92/92/412189292.db2.gz SORPDPSRNZCUCT-MXWKQRLJSA-N 2 0 248.317 1.388 20 0 BDADRP Cc1cncc(CC[NH2+][C@@H](C)CCCC[NH3+])n1 ZINC000665273767 412215928 /nfs/dbraw/zinc/21/59/28/412215928.db2.gz DATZJKPKJNSNGY-NSHDSACASA-N 2 0 236.363 1.435 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@]1(C)CC1(F)F ZINC000665267570 412203408 /nfs/dbraw/zinc/20/34/08/412203408.db2.gz YSNYILBINLNILL-DJLDLDEBSA-N 2 0 206.280 1.747 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCC[C@H]2C[C@H]21 ZINC000665263118 412205051 /nfs/dbraw/zinc/20/50/51/412205051.db2.gz GKAUFSQTZZXDMS-XDQVBPFNSA-N 2 0 240.391 1.766 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1(F)F ZINC000665266625 412210419 /nfs/dbraw/zinc/21/04/19/412210419.db2.gz GJUMOKHHEGVGMH-OPRDCNLKSA-N 2 0 218.291 1.891 20 0 BDADRP CC[C@@H]([NH2+]C)C(=O)NCC1([NH3+])CCCCCC1 ZINC000662397489 412147219 /nfs/dbraw/zinc/14/72/19/412147219.db2.gz FTQQHGMENNEISE-LLVKDONJSA-N 2 0 241.379 1.152 20 0 BDADRP CC[C@H]([NH2+]C)C(=O)Nc1ccccc1C[NH2+]C ZINC000662399252 412147565 /nfs/dbraw/zinc/14/75/65/412147565.db2.gz QOGOJEORKRDBPS-NSHDSACASA-N 2 0 235.331 1.343 20 0 BDADRP C[C@H](C[NH+]1CCC(C)CC1)NC1CC[NH2+]CC1 ZINC000665272878 412213473 /nfs/dbraw/zinc/21/34/73/412213473.db2.gz MWNLAZFETUWLKA-CYBMUJFWSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCc2cc(N)ccc21)C1C[NH2+]C1 ZINC000665271252 412213627 /nfs/dbraw/zinc/21/36/27/412213627.db2.gz JULKOCNJCGRVFU-YMTOWFKASA-N 2 0 231.343 1.454 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cccc(N)c1 ZINC000665231960 412170336 /nfs/dbraw/zinc/17/03/36/412170336.db2.gz CARMBKKACNYSJY-NXEZZACHSA-N 2 0 207.321 1.484 20 0 BDADRP Nc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000665233328 412172599 /nfs/dbraw/zinc/17/25/99/412172599.db2.gz DYIXRFMQGHXLDD-GJZGRUSLSA-N 2 0 245.370 1.985 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000665274140 412216965 /nfs/dbraw/zinc/21/69/65/412216965.db2.gz KPBKTTHBRUULMV-IHRRRGAJSA-N 2 0 239.407 1.720 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000665274382 412217506 /nfs/dbraw/zinc/21/75/06/412217506.db2.gz PAEQJILZUDEYCT-RWMBFGLXSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)[C@@H]1CC1(C)C ZINC000665279922 412224548 /nfs/dbraw/zinc/22/45/48/412224548.db2.gz PKVFFKIQCAIJKH-JJOYANBFSA-N 2 0 208.349 1.763 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000665280516 412224666 /nfs/dbraw/zinc/22/46/66/412224666.db2.gz DXIAUCAKZSPSQL-SDDRHHMPSA-N 2 0 214.353 1.517 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000665280883 412226450 /nfs/dbraw/zinc/22/64/50/412226450.db2.gz OAGJLXHBQIGJQP-MELADBBJSA-N 2 0 239.407 1.576 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000665282094 412226508 /nfs/dbraw/zinc/22/65/08/412226508.db2.gz QOXFXXIJYPJRBA-IJLUTSLNSA-N 2 0 213.369 1.090 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1cn[nH]c1 ZINC000665282392 412227544 /nfs/dbraw/zinc/22/75/44/412227544.db2.gz XGHRCKBYWSFOMH-GXSJLCMTSA-N 2 0 210.325 1.434 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+]CC[C@@H]([NH3+])C(C)C)C1 ZINC000665282262 412227927 /nfs/dbraw/zinc/22/79/27/412227927.db2.gz UNJVIBZUDYWCHS-JHJVBQTASA-N 2 0 228.380 1.907 20 0 BDADRP CC[C@H]([NH2+]C)C(=O)NCc1ccccc1C[NH2+]C ZINC000662583430 412228706 /nfs/dbraw/zinc/22/87/06/412228706.db2.gz JGMCCSSUCITXCF-ZDUSSCGKSA-N 2 0 249.358 1.020 20 0 BDADRP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)C(C)(C)C ZINC000665292123 412238031 /nfs/dbraw/zinc/23/80/31/412238031.db2.gz SZOBABZPEYIPSV-QMMMGPOBSA-N 2 0 238.335 1.165 20 0 BDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC(C)(C)[NH3+] ZINC000662608865 412240063 /nfs/dbraw/zinc/24/00/63/412240063.db2.gz QPCKYJDBKWOEMN-NSHDSACASA-N 2 0 241.379 1.057 20 0 BDADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)CCCC[NH3+])C1 ZINC000662621519 412244533 /nfs/dbraw/zinc/24/45/33/412244533.db2.gz ITYKAYVIDMXABB-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP C[NH2+]C[C@H](C)N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000665298054 412246291 /nfs/dbraw/zinc/24/62/91/412246291.db2.gz QXEGUCIYWAZBEU-ZWKOPEQDSA-N 2 0 219.332 1.329 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCOCCF ZINC000665299414 412248320 /nfs/dbraw/zinc/24/83/20/412248320.db2.gz MQUGZFPLDCYKMO-QWRGUYRKSA-N 2 0 218.316 1.222 20 0 BDADRP CC(C)[C@H](C(=O)NCC[C@@H](C)[NH+](C)C)[C@H](C)[NH3+] ZINC000662636627 412252344 /nfs/dbraw/zinc/25/23/44/412252344.db2.gz ZYXPAXYLYFSZEA-WOPDTQHZSA-N 2 0 243.395 1.062 20 0 BDADRP C[C@H]1C[C@@H](NC(=O)CCC(C)(C)[NH3+])CC[N@@H+]1C ZINC000132947206 412373735 /nfs/dbraw/zinc/37/37/35/412373735.db2.gz COXPFZLUEBXOID-QWRGUYRKSA-N 2 0 241.379 1.103 20 0 BDADRP CCn1nc(C)c(C[N@@H+]2CC[C@@H](C[NH3+])C2)c1C ZINC000307963328 172245068 /nfs/dbraw/zinc/24/50/68/172245068.db2.gz GTXBNPSPAZRBKY-LBPRGKRZSA-N 2 0 236.363 1.300 20 0 BDADRP C[NH+](C)C(C)(C)CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127756802 172396641 /nfs/dbraw/zinc/39/66/41/172396641.db2.gz ACADFWCLNGWPQD-CHWSQXEVSA-N 2 0 239.407 1.543 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@H]2CCOC2)CC1 ZINC000334385025 172405401 /nfs/dbraw/zinc/40/54/01/172405401.db2.gz MHVMPJCKKHZZFQ-CXQJBGSLSA-N 2 0 212.337 1.238 20 0 BDADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@](C)(O)C1 ZINC000300332538 173008432 /nfs/dbraw/zinc/00/84/32/173008432.db2.gz MFJAAVYXFPUNKI-STQMWFEESA-N 2 0 226.364 1.318 20 0 BDADRP CN1CCC[C@@H]([NH2+]CCc2ccccc2)C1 ZINC000040671762 173020461 /nfs/dbraw/zinc/02/04/61/173020461.db2.gz QJVWPECWRYTBQP-CQSZACIVSA-N 2 0 218.344 1.913 20 0 BDADRP C[N@@H+]1CCC[C@@H](N2CC[NH+](CC3CC3)CC2)C1 ZINC000370556869 173020639 /nfs/dbraw/zinc/02/06/39/173020639.db2.gz IPHJBOPIQYDSGB-CQSZACIVSA-N 2 0 237.391 1.108 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+](CCO)C1CCC1 ZINC000336662438 173027002 /nfs/dbraw/zinc/02/70/02/173027002.db2.gz MRHPAYBFBMLQHS-GFCCVEGCSA-N 2 0 226.364 1.318 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000368463268 173027612 /nfs/dbraw/zinc/02/76/12/173027612.db2.gz UAYBWNTVYIGULL-RDBSUJKOSA-N 2 0 238.375 1.628 20 0 BDADRP C[N@H+](C[C@@H]1CCCOC1)C[C@H]1CCC[NH+](C)C1 ZINC000336704724 173040535 /nfs/dbraw/zinc/04/05/35/173040535.db2.gz NNYGKVNGOCOASV-KBPBESRZSA-N 2 0 240.391 1.687 20 0 BDADRP C[N@@H+]1CCC[C@H](CNC(=[NH2+])Nc2ccccc2)C1 ZINC000052048217 173041535 /nfs/dbraw/zinc/04/15/35/173041535.db2.gz BHLSGESONPHCJI-GFCCVEGCSA-N 2 0 246.358 1.965 20 0 BDADRP C[N@H+](C[C@@H]1CCOC1)C[C@H]1CCC[NH+](C)C1 ZINC000336701015 173042687 /nfs/dbraw/zinc/04/26/87/173042687.db2.gz LUDDRDUIVWCKKK-STQMWFEESA-N 2 0 226.364 1.297 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCOC(C)(C)C1 ZINC000372424975 173052001 /nfs/dbraw/zinc/05/20/01/173052001.db2.gz IYQMSQOPQSNNLB-ZDUSSCGKSA-N 2 0 240.391 1.972 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH2+][C@H](CO)C1CCCC1 ZINC000352708736 173052910 /nfs/dbraw/zinc/05/29/10/173052910.db2.gz XMQJFLYWTSQJGR-UONOGXRCSA-N 2 0 240.391 1.611 20 0 BDADRP C[N@@H+]1CCC[C@H]1CNC1CC[NH+](C2CC2)CC1 ZINC000336669730 173055513 /nfs/dbraw/zinc/05/55/13/173055513.db2.gz AQGWELMVNUXOEU-AWEZNQCLSA-N 2 0 237.391 1.297 20 0 BDADRP C[N@@H+]1CCC[C@H]2C[NH+](CC3(C)COC3)CC[C@@H]21 ZINC000336689570 173058322 /nfs/dbraw/zinc/05/83/22/173058322.db2.gz HSZZJYRTKZKMMF-STQMWFEESA-N 2 0 238.375 1.439 20 0 BDADRP C[N@@H+]1CC[C@H](C[NH2+]CC2(O)CCCCC2)C1 ZINC000037894288 173146398 /nfs/dbraw/zinc/14/63/98/173146398.db2.gz OUCMJTULPQWRHZ-GFCCVEGCSA-N 2 0 226.364 1.223 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CCn2ccnc2)[C@H]2CCC[C@H]21 ZINC000368607978 173151797 /nfs/dbraw/zinc/15/17/97/173151797.db2.gz KCBWPPZTLSNUEG-HZSPNIEDSA-N 2 0 248.374 1.346 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)O)[C@H]2CCC[C@H]21 ZINC000309485088 173151838 /nfs/dbraw/zinc/15/18/38/173151838.db2.gz VDIYMHOJTQHRFZ-GRYCIOLGSA-N 2 0 226.364 1.220 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CCF)[C@@H]2CCC[C@H]21 ZINC000306939465 173152694 /nfs/dbraw/zinc/15/26/94/173152694.db2.gz KMAWFFWXGOEKAX-GARJFASQSA-N 2 0 200.301 1.418 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CCn2cccn2)[C@@H]2CCC[C@H]21 ZINC000353391233 173153468 /nfs/dbraw/zinc/15/34/68/173153468.db2.gz BILIBESGWFOOQJ-MELADBBJSA-N 2 0 248.374 1.346 20 0 BDADRP C[N@H+]1C[C@@H]2C[NH+](CCCCF)C[C@@H]2C1 ZINC000367525237 173197214 /nfs/dbraw/zinc/19/72/14/173197214.db2.gz RZKNEMCYOYGNNS-PHIMTYICSA-N 2 0 200.301 1.230 20 0 BDADRP C[NH2+]C1CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000228576529 173322905 /nfs/dbraw/zinc/32/29/05/173322905.db2.gz KSYSLTUSIUDELX-JTQLQIEISA-N 2 0 214.378 1.423 20 0 BDADRP C[NH2+]CC1CC[NH+](CCOC(C)C)CC1 ZINC000051756277 173338751 /nfs/dbraw/zinc/33/87/51/173338751.db2.gz NJPADNVXXWAHLN-UHFFFAOYSA-N 2 0 214.353 1.343 20 0 BDADRP C[NH2+]CC1CC[NH+](C[C@H]2CCSC2)CC1 ZINC000224610965 173338830 /nfs/dbraw/zinc/33/88/30/173338830.db2.gz NIOQWEYAPINELG-GFCCVEGCSA-N 2 0 228.405 1.671 20 0 BDADRP C[NH2+]CCCC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000037611081 173345193 /nfs/dbraw/zinc/34/51/93/173345193.db2.gz JDQCPMHZSHZLFY-UHFFFAOYSA-N 2 0 249.358 1.686 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H]2CCSC2)C1 ZINC000224608991 173368014 /nfs/dbraw/zinc/36/80/14/173368014.db2.gz KKEHBGARZMRBAL-RYUDHWBXSA-N 2 0 228.405 1.671 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000359224019 173378720 /nfs/dbraw/zinc/37/87/20/173378720.db2.gz SOFIINONFGLXLC-CQSZACIVSA-N 3 0 239.407 1.308 20 0 BDADRP C[NH2+]C[C@H]1CCCN(CCOc2ccccc2)C1 ZINC000011888927 173379385 /nfs/dbraw/zinc/37/93/85/173379385.db2.gz CIZOJMWQOFFNMQ-CQSZACIVSA-N 2 0 248.370 1.997 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)CC[C@H](C)[NH3+])cc1 ZINC000295224177 173388996 /nfs/dbraw/zinc/38/89/96/173388996.db2.gz NBVBAMSPDDYTTJ-JTQLQIEISA-N 2 0 235.331 1.472 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)[C@H](C)[C@H](C)[NH3+])c1 ZINC000296571635 173389470 /nfs/dbraw/zinc/38/94/70/173389470.db2.gz VZRQHVJHLCBFIG-ZJUUUORDSA-N 2 0 235.331 1.328 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)[C@@H](C)[C@H](C)[NH3+])c1 ZINC000296571631 173389702 /nfs/dbraw/zinc/38/97/02/173389702.db2.gz VZRQHVJHLCBFIG-UWVGGRQHSA-N 2 0 235.331 1.328 20 0 BDADRP COC1CC([NH2+]CC2=CC[N@H+](C)CC2)C1 ZINC000336773596 174017856 /nfs/dbraw/zinc/01/78/56/174017856.db2.gz YUHAFFGLIVQKEX-UHFFFAOYSA-N 2 0 210.321 1.015 20 0 BDADRP COC1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000342214066 174028656 /nfs/dbraw/zinc/02/86/56/174028656.db2.gz YGDGSBOZDFBYAD-ZDUSSCGKSA-N 2 0 240.391 1.972 20 0 BDADRP COC1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000336698138 174029086 /nfs/dbraw/zinc/02/90/86/174029086.db2.gz IDICIBXXUJMOIX-LBPRGKRZSA-N 2 0 226.364 1.582 20 0 BDADRP COCC(C)(C)C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000339409342 174070051 /nfs/dbraw/zinc/07/00/51/174070051.db2.gz KTLRINGBCZLGSV-LBPRGKRZSA-N 2 0 230.396 1.964 20 0 BDADRP COCC(C)(C)C[NH2+]C[C@H]1CCCN1C ZINC000336760919 174073427 /nfs/dbraw/zinc/07/34/27/174073427.db2.gz MDNIUZRZTFLPKM-LLVKDONJSA-N 2 0 214.353 1.343 20 0 BDADRP COCC1(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)CCC1 ZINC000361294226 174099418 /nfs/dbraw/zinc/09/94/18/174099418.db2.gz DCEZCZGZEZRTDS-CYBMUJFWSA-N 2 0 240.391 1.687 20 0 BDADRP COCCC(C)(C)C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000355033980 174143974 /nfs/dbraw/zinc/14/39/74/174143974.db2.gz FRWLXDUEGKHVHW-OLZOCXBDSA-N 2 0 242.407 1.979 20 0 BDADRP COCCC1(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000234888391 174155932 /nfs/dbraw/zinc/15/59/32/174155932.db2.gz FKKMHQICUYODFP-QWHCGFSZSA-N 2 0 240.391 1.910 20 0 BDADRP COCCCCC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342080673 174179290 /nfs/dbraw/zinc/17/92/90/174179290.db2.gz GVIMLHGYJCDIPD-IHRRRGAJSA-N 2 0 240.391 1.862 20 0 BDADRP COCCC[C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000336770051 174260955 /nfs/dbraw/zinc/26/09/55/174260955.db2.gz VIBMUYSHJNHOSK-VXGBXAGGSA-N 2 0 216.369 1.589 20 0 BDADRP COCCC[C@H](C)[NH2+]C[C@H](C)C[NH+](C)C ZINC000336770050 174263827 /nfs/dbraw/zinc/26/38/27/174263827.db2.gz VIBMUYSHJNHOSK-RYUDHWBXSA-N 2 0 216.369 1.589 20 0 BDADRP COCCOC[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000358179073 174363601 /nfs/dbraw/zinc/36/36/01/174363601.db2.gz QXDDADCXFCIXKM-RWMBFGLXSA-N 2 0 244.379 1.110 20 0 BDADRP CO[C@H](C[NH2+][C@@H](C)CCCC[NH3+])C1CC1 ZINC000356363898 174867605 /nfs/dbraw/zinc/86/76/05/174867605.db2.gz ZWEPAWNMVRIBTB-CMPLNLGQSA-N 2 0 214.353 1.519 20 0 BDADRP COc1ccc(C[N@H+](C)CCOCC[NH3+])cc1 ZINC000093232457 175095339 /nfs/dbraw/zinc/09/53/39/175095339.db2.gz RKZMKTBOLZVIIS-UHFFFAOYSA-N 2 0 238.331 1.102 20 0 BDADRP COc1ccc([C@H](C)NCC[NH3+])cc1OC ZINC000037712557 175188211 /nfs/dbraw/zinc/18/82/11/175188211.db2.gz CDWUDUGVBVRKKC-VIFPVBQESA-N 2 0 224.304 1.313 20 0 BDADRP CSC[C@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000127401444 175523956 /nfs/dbraw/zinc/52/39/56/175523956.db2.gz HOCQMHOVHNFIBJ-IDKOKCKLSA-N 2 0 202.367 1.597 20 0 BDADRP C[C@@H]([NH2+]CCCC[NH3+])c1cccc(O)c1 ZINC000037714929 175875158 /nfs/dbraw/zinc/87/51/58/175875158.db2.gz FALXIASKOYWSHA-SNVBAGLBSA-N 2 0 208.305 1.782 20 0 BDADRP C[C@@H](c1ccccc1)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313383720 176021291 /nfs/dbraw/zinc/02/12/91/176021291.db2.gz JKRVEHOBUXUYHI-GXTWGEPZSA-N 2 0 234.343 1.797 20 0 BDADRP C[C@@H](c1cnccn1)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000184572617 176035740 /nfs/dbraw/zinc/03/57/40/176035740.db2.gz CQOAKSXANGLKBT-QWHCGFSZSA-N 2 0 248.374 1.811 20 0 BDADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCOC1 ZINC000070963728 176070332 /nfs/dbraw/zinc/07/03/32/176070332.db2.gz ZWLAAUDIYCDONZ-CHWSQXEVSA-N 2 0 226.364 1.629 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000331948046 176185242 /nfs/dbraw/zinc/18/52/42/176185242.db2.gz GYYNWEHXFUIDFA-RABLLNBGSA-N 2 0 245.370 1.719 20 0 BDADRP C[C@@H]1CC[C@@H](C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)O1 ZINC000370722862 176204239 /nfs/dbraw/zinc/20/42/39/176204239.db2.gz UNWDUZXSTGOVJL-MCIONIFRSA-N 2 0 240.391 1.970 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]C[C@](C)(O)C[NH+](C)C)C1 ZINC000125900946 176213470 /nfs/dbraw/zinc/21/34/70/176213470.db2.gz KGNQRJLOOZDEMS-UTUOFQBUSA-N 2 0 214.353 1.077 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000121974503 176233466 /nfs/dbraw/zinc/23/34/66/176233466.db2.gz VFSPIWKNFLVYHI-AGIUHOORSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NCC[NH+]1CCCCC1 ZINC000128241569 176268423 /nfs/dbraw/zinc/26/84/23/176268423.db2.gz YAPSHFDAYZPXIJ-KGLIPLIRSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCOC(F)F ZINC000309806509 176268794 /nfs/dbraw/zinc/26/87/94/176268794.db2.gz SGPUECNGKOBGKM-ZJUUUORDSA-N 2 0 236.306 1.546 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H](O)CC(C)(C)C ZINC000361525999 176268905 /nfs/dbraw/zinc/26/89/05/176268905.db2.gz OTHKSSYUBNBKJQ-AGIUHOORSA-N 2 0 242.407 1.713 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC(C)(C)CCCO ZINC000357839232 176268976 /nfs/dbraw/zinc/26/89/76/176268976.db2.gz HUKKCHGERCXPMP-OLZOCXBDSA-N 2 0 242.407 1.715 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1=CCCOC1 ZINC000335606861 176270058 /nfs/dbraw/zinc/27/00/58/176270058.db2.gz YWAQYMGCMNPTKH-YPMHNXCESA-N 2 0 224.348 1.263 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1ccccc1O ZINC000358220659 176270871 /nfs/dbraw/zinc/27/08/71/176270871.db2.gz KLMXMCYBADNWOO-TZMCWYRMSA-N 2 0 248.370 1.865 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000300418756 176278361 /nfs/dbraw/zinc/27/83/61/176278361.db2.gz BLFYUDLSDHGJGO-SYQHCUMBSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC[C@H]1CCOC1 ZINC000300418755 176278364 /nfs/dbraw/zinc/27/83/64/176278364.db2.gz BLFYUDLSDHGJGO-MQYQWHSLSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCCO1 ZINC000061918621 176292276 /nfs/dbraw/zinc/29/22/76/176292276.db2.gz OYGYTWWCMINTHW-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccc3c[nH]nc3c2)CC[C@@H]1[NH3+] ZINC000336537750 176304380 /nfs/dbraw/zinc/30/43/80/176304380.db2.gz IEBAYBHRRZGWPX-MFKMUULPSA-N 2 0 244.342 1.732 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cccc3c[nH]nc32)CC[C@@H]1[NH3+] ZINC000336537843 176305675 /nfs/dbraw/zinc/30/56/75/176305675.db2.gz QBRLYTHPSHBMBV-MFKMUULPSA-N 2 0 244.342 1.732 20 0 BDADRP C[C@@H]1CSC[C@@H]1[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000336773824 176353623 /nfs/dbraw/zinc/35/36/23/176353623.db2.gz ZFRSRHNHIQRAAK-UTUOFQBUSA-N 2 0 228.405 1.812 20 0 BDADRP C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000304370213 176354533 /nfs/dbraw/zinc/35/45/33/176354533.db2.gz FVGHEBHJPFAQHY-XQHKEYJVSA-N 2 0 240.416 1.954 20 0 BDADRP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)C(C)(C)C)CCN1C ZINC000336724054 176371926 /nfs/dbraw/zinc/37/19/26/176371926.db2.gz ZCFBERSSHCRDSF-FRRDWIJNSA-N 2 0 242.407 1.808 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2(CCO)CCC2)CC[N@@H+]1C ZINC000358314109 176375794 /nfs/dbraw/zinc/37/57/94/176375794.db2.gz FAMIASFSXBLLBT-OLZOCXBDSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+]C[C@@]2(C)CCCO2)CC[NH2+]1 ZINC000235380732 176414210 /nfs/dbraw/zinc/41/42/10/176414210.db2.gz DQUMXWBIEFFZFU-JHJVBQTASA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCOC1)C1CC[NH+](C)CC1 ZINC000037738544 176861542 /nfs/dbraw/zinc/86/15/42/176861542.db2.gz GZRSINVWFQUXSF-RYUDHWBXSA-N 2 0 226.364 1.343 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCCO1 ZINC000222912896 176895801 /nfs/dbraw/zinc/89/58/01/176895801.db2.gz BLMIOZZFVRKGHY-QCNOEVLYSA-N 2 0 212.337 1.413 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H](C)C1CCOCC1 ZINC000235479306 176910335 /nfs/dbraw/zinc/91/03/35/176910335.db2.gz HLAMFEXWTGGDFS-DYEKYZERSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)CCO1 ZINC000300415038 177238324 /nfs/dbraw/zinc/23/83/24/177238324.db2.gz RLKXJAFINOQZOV-ODXJTPSBSA-N 2 0 240.391 1.872 20 0 BDADRP C[C@H]1C[N@H+](CCC2CC[NH2+]CC2)CCCO1 ZINC000061919025 177245978 /nfs/dbraw/zinc/24/59/78/177245978.db2.gz REPRWEKBLNQSPZ-LBPRGKRZSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccccc2)CCN1CC[NH3+] ZINC000023361637 177264891 /nfs/dbraw/zinc/26/48/91/177264891.db2.gz AXBRQZAHNADPAJ-ZDUSSCGKSA-N 2 0 233.359 1.151 20 0 BDADRP C[C@H]1CSCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000251627799 177304696 /nfs/dbraw/zinc/30/46/96/177304696.db2.gz FHAXUIDBHUFNHA-QWRGUYRKSA-N 2 0 214.378 1.423 20 0 BDADRP C[C@H]1C[C@@H](C[N@@H+]2CCOCC2(C)C)CC[NH2+]1 ZINC000235699333 177324423 /nfs/dbraw/zinc/32/44/23/177324423.db2.gz ANNDEBCMAWPCFP-RYUDHWBXSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCN1CCC1 ZINC000336783269 177331693 /nfs/dbraw/zinc/33/16/93/177331693.db2.gz ZYHNOMRDLOTUFT-FRRDWIJNSA-N 2 0 225.380 1.010 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCc2nccs2)CC[N@@H+]1C ZINC000127840789 177332634 /nfs/dbraw/zinc/33/26/34/177332634.db2.gz IPLFDPLRWVTZTH-QWRGUYRKSA-N 2 0 239.388 1.758 20 0 BDADRP C[C@H]1C[C@H](N(C)Cc2ccnc(N)c2)CC[N@@H+]1C ZINC000298811177 177364059 /nfs/dbraw/zinc/36/40/59/177364059.db2.gz AHCFGWWKDWSEOF-WCQYABFASA-N 2 0 248.374 1.578 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCC2(O)CCC2)CC[N@@H+]1C ZINC000336744210 177369016 /nfs/dbraw/zinc/36/90/16/177369016.db2.gz PWHDNNYLCZOWDE-NWDGAFQWSA-N 2 0 226.364 1.364 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCO1 ZINC000300425472 177369103 /nfs/dbraw/zinc/36/91/03/177369103.db2.gz ZBTCGFHPWPIASL-PJIALRRASA-N 2 0 238.375 1.769 20 0 BDADRP C[C@@H](C[N@@H+]1CCCO[C@@H](C[NH3+])C1)C(C)(C)C ZINC000313339233 487640649 /nfs/dbraw/zinc/64/06/49/487640649.db2.gz BWIOLBFBDXUMMN-RYUDHWBXSA-N 2 0 228.380 1.718 20 0 BDADRP COC[C@]1(C)CC[N@H+](CCn2ccnc2C)C1 ZINC000487033609 225282277 /nfs/dbraw/zinc/28/22/77/225282277.db2.gz HLYZORCBYCZGJL-CYBMUJFWSA-N 2 0 237.347 1.550 20 0 BDADRP C[C@H](C[NH2+][C@H]1C[C@@H](C)[C@@H]1C)N1CC[NH+](C)CC1 ZINC000495077733 226275980 /nfs/dbraw/zinc/27/59/80/226275980.db2.gz GSXGEUBSYSRRPF-MQYQWHSLSA-N 2 0 239.407 1.256 20 0 BDADRP C[C@H]([NH2+]CCCC(C)(C)CO)[C@H]1CCC[NH2+]1 ZINC000400345293 226341280 /nfs/dbraw/zinc/34/12/80/226341280.db2.gz GYALOVIKIWUSAX-NWDGAFQWSA-N 2 0 228.380 1.515 20 0 BDADRP C[C@H]([NH2+]CCCOCC1CC1)[C@@H]1CCC[NH2+]1 ZINC000400488567 226344537 /nfs/dbraw/zinc/34/45/37/226344537.db2.gz YLSYYYIJPYFWHN-AAEUAGOBSA-N 2 0 226.364 1.533 20 0 BDADRP COCC(C)(C)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400495822 226344814 /nfs/dbraw/zinc/34/48/14/226344814.db2.gz HJYAVBGBGCTEGC-QWRGUYRKSA-N 2 0 214.353 1.389 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCCS1)[C@@H]1CCC[NH2+]1 ZINC000400642641 226348279 /nfs/dbraw/zinc/34/82/79/226348279.db2.gz OIEKDRBIQFEPNX-AXFHLTTASA-N 2 0 214.378 1.612 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCCS1)[C@H]1CCC[NH2+]1 ZINC000400642654 226348441 /nfs/dbraw/zinc/34/84/41/226348441.db2.gz OIEKDRBIQFEPNX-HBNTYKKESA-N 2 0 214.378 1.612 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H](CO)C1)[C@@H]1CCC[NH2+]1 ZINC000400728266 226350407 /nfs/dbraw/zinc/35/04/07/226350407.db2.gz PXMQFUQJIJENSZ-LOWDOPEQSA-N 2 0 226.364 1.268 20 0 BDADRP Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])nc1 ZINC000400881668 226352291 /nfs/dbraw/zinc/35/22/91/226352291.db2.gz YLBKXFNOCYBESO-GXTWGEPZSA-N 2 0 233.359 1.997 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCC[C@@H]1CCOC1 ZINC000401918397 226362991 /nfs/dbraw/zinc/36/29/91/226362991.db2.gz CFDDFMMIXBRNHD-FRRDWIJNSA-N 2 0 226.364 1.520 20 0 BDADRP CC1(C)C[C@@H]1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000232921228 487669899 /nfs/dbraw/zinc/66/98/99/487669899.db2.gz HTXQBTXKHZMOEZ-VXGBXAGGSA-N 2 0 226.364 1.079 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1[C@H](C)CCC[C@H]1C ZINC000383926245 487682498 /nfs/dbraw/zinc/68/24/98/487682498.db2.gz DSRQGENTWMCAQP-MCIONIFRSA-N 2 0 242.407 1.950 20 0 BDADRP C[C@H](c1ccncc1)N1CCCO[C@@H](C[NH3+])C1 ZINC000313349748 487685108 /nfs/dbraw/zinc/68/51/08/487685108.db2.gz IWNHWTCSBALAAY-YPMHNXCESA-N 2 0 235.331 1.192 20 0 BDADRP [NH3+]CCCNCC[NH2+]C1CCCCCC1 ZINC000414814258 487689317 /nfs/dbraw/zinc/68/93/17/487689317.db2.gz RJYRTLAXTIBSHI-UHFFFAOYSA-N 2 0 213.369 1.237 20 0 BDADRP [NH3+]CCC[NH2+]CCc1cccc(Cl)c1 ZINC000163299782 487709973 /nfs/dbraw/zinc/70/99/73/487709973.db2.gz VUFASKVLIKNWIQ-UHFFFAOYSA-N 2 0 212.724 1.821 20 0 BDADRP CCO[C@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000250524436 487733932 /nfs/dbraw/zinc/73/39/32/487733932.db2.gz QMIRMCQQHAWJDK-RYUDHWBXSA-N 2 0 212.337 1.097 20 0 BDADRP CCOCCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250493202 487734002 /nfs/dbraw/zinc/73/40/02/487734002.db2.gz IUBKRRVESYVQJA-ZIAGYGMSSA-N 2 0 240.391 1.877 20 0 BDADRP C/C=C/C[C@H](CO)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000681142284 487737193 /nfs/dbraw/zinc/73/71/93/487737193.db2.gz SIRVDYUOMQJXJI-VSYHDTTKSA-N 2 0 240.391 1.633 20 0 BDADRP CC[C@@](C)(C[NH2+]CCC[NH+]1CCCC1)OC ZINC000233958220 487754577 /nfs/dbraw/zinc/75/45/77/487754577.db2.gz XHVYJCUEJOGBHK-ZDUSSCGKSA-N 2 0 228.380 1.877 20 0 BDADRP C[C@H](CO)C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000672554914 487756207 /nfs/dbraw/zinc/75/62/07/487756207.db2.gz ABXGQNWNHGRPPL-WCQYABFASA-N 2 0 236.315 1.163 20 0 BDADRP CO[C@@H](C)[C@@H](C)[NH2+]CCCC[NH+]1CCOCC1 ZINC000675750298 487772437 /nfs/dbraw/zinc/77/24/37/487772437.db2.gz BXALISNGYDEPLS-OLZOCXBDSA-N 2 0 244.379 1.112 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN(C)C2)[C@H](C)C1 ZINC000675768005 487774587 /nfs/dbraw/zinc/77/45/87/487774587.db2.gz VHHBXONLGQJIOW-RDBSUJKOSA-N 2 0 239.407 1.401 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(C)C2)[C@H](C)C1 ZINC000675768001 487775071 /nfs/dbraw/zinc/77/50/71/487775071.db2.gz VHHBXONLGQJIOW-MCIONIFRSA-N 2 0 239.407 1.401 20 0 BDADRP C[N@H+](CCOCc1ccccc1)C1CC([NH3+])C1 ZINC000307254460 487777626 /nfs/dbraw/zinc/77/76/26/487777626.db2.gz XWXLDRNPVZLUSY-UHFFFAOYSA-N 2 0 234.343 1.625 20 0 BDADRP CC[C@H]1C[N@H+](Cc2cccc(O)c2)CC[C@H]1[NH3+] ZINC000251794169 487797800 /nfs/dbraw/zinc/79/78/00/487797800.db2.gz NSTXOXLRPYUPIW-GXTWGEPZSA-N 2 0 234.343 1.951 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ncc[nH]1 ZINC000414189210 487797940 /nfs/dbraw/zinc/79/79/40/487797940.db2.gz QQNIGMCLKKBXQO-NEPJUHHUSA-N 2 0 236.363 1.792 20 0 BDADRP CN(CC[NH+]1CCCCC1)C[C@H]1CCC[NH2+]C1 ZINC000234309003 487799186 /nfs/dbraw/zinc/79/91/86/487799186.db2.gz CKAOFGNEBFGJEY-AWEZNQCLSA-N 2 0 239.407 1.404 20 0 BDADRP C[C@H](c1ccncc1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251858537 487803296 /nfs/dbraw/zinc/80/32/96/487803296.db2.gz SFBFZVGBKOIOMW-NQBHXWOUSA-N 2 0 219.332 1.812 20 0 BDADRP CO[C@H](C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000385933153 487815660 /nfs/dbraw/zinc/81/56/60/487815660.db2.gz DPCUZQVFEXMHOP-SOUVJXGZSA-N 2 0 246.354 1.525 20 0 BDADRP C[C@H]([NH2+][C@H]1C[C@@](C)(O)C1)C1CC[NH+](C)CC1 ZINC000669427627 487818149 /nfs/dbraw/zinc/81/81/49/487818149.db2.gz NQQTWTVUZQAEGH-WCFLWFBJSA-N 2 0 226.364 1.220 20 0 BDADRP COCC[N@H+](CCC[NH3+])[C@@H]1CC[C@@H](C)C1 ZINC000414752513 487822154 /nfs/dbraw/zinc/82/21/54/487822154.db2.gz KXMDRLQLZPTDEV-VXGBXAGGSA-N 2 0 214.353 1.472 20 0 BDADRP COc1ccc(C[NH2+]CCC[NH3+])cc1Cl ZINC000083188725 487823870 /nfs/dbraw/zinc/82/38/70/487823870.db2.gz HZSGTJKIMNWFSJ-UHFFFAOYSA-N 2 0 228.723 1.787 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(C)nc1 ZINC000414849329 487826316 /nfs/dbraw/zinc/82/63/16/487826316.db2.gz XZTZJQKMMIOIEH-SNVBAGLBSA-N 2 0 207.321 1.335 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC000414913987 487827586 /nfs/dbraw/zinc/82/75/86/487827586.db2.gz JYVWYQVMODBNFC-LPWJVIDDSA-N 3 0 225.380 1.234 20 0 BDADRP CCC(CC)C[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000252684548 487829435 /nfs/dbraw/zinc/82/94/35/487829435.db2.gz GNXKKLAWUVXWDC-JQWIXIFHSA-N 2 0 214.353 1.471 20 0 BDADRP OCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000252697140 487829826 /nfs/dbraw/zinc/82/98/26/487829826.db2.gz FPQMGPQBOGQSKO-JHJVBQTASA-N 2 0 238.375 1.269 20 0 BDADRP [NH3+]CCC[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000414983966 487832992 /nfs/dbraw/zinc/83/29/92/487832992.db2.gz UJNHKRKIUQOETN-UHFFFAOYSA-N 2 0 219.332 1.483 20 0 BDADRP C([NH2+]C1CC[NH+](CC2CC2)CC1)[C@H]1CCCO1 ZINC000153068201 487840130 /nfs/dbraw/zinc/84/01/30/487840130.db2.gz VVWNMYOKRIPXLJ-CQSZACIVSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)[C@H](C)CO ZINC000252966305 487840701 /nfs/dbraw/zinc/84/07/01/487840701.db2.gz XLWMIQIIFHDQCX-JHJVBQTASA-N 2 0 228.380 1.467 20 0 BDADRP C[N@H+](CCOC(C)(C)C)CC1CC[NH2+]CC1 ZINC000164502787 487841311 /nfs/dbraw/zinc/84/13/11/487841311.db2.gz SXJSCYNUCQRJDM-UHFFFAOYSA-N 2 0 228.380 1.733 20 0 BDADRP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000253091372 487849713 /nfs/dbraw/zinc/84/97/13/487849713.db2.gz FZPVMMZROJMQDS-XWLWVQCSSA-N 2 0 212.337 1.005 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H](CCO)C2)CC[NH2+]1 ZINC000666638443 487849964 /nfs/dbraw/zinc/84/99/64/487849964.db2.gz OGUIOMYELKHVQV-RDBSUJKOSA-N 2 0 240.391 1.469 20 0 BDADRP [NH3+]CC1CCC([NH2+]C[C@@H]2CCCCN2)CC1 ZINC000666770901 487855436 /nfs/dbraw/zinc/85/54/36/487855436.db2.gz ZCCPGKNPHFHSCE-BPCQOVAHSA-N 2 0 225.380 1.236 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](C)C1CC1 ZINC000234726667 487868513 /nfs/dbraw/zinc/86/85/13/487868513.db2.gz VJTNNMVRYVOMBY-CMPLNLGQSA-N 2 0 214.353 1.376 20 0 BDADRP C[C@@H](CC1CCC1)[NH2+]CCCN1CC[NH2+]CC1 ZINC000666738525 487869376 /nfs/dbraw/zinc/86/93/76/487869376.db2.gz RFNMAHBCQYLEBI-ZDUSSCGKSA-N 2 0 239.407 1.450 20 0 BDADRP CCSCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129059965 487876126 /nfs/dbraw/zinc/87/61/26/487876126.db2.gz MLGUESVIURUJTG-MNOVXSKESA-N 2 0 216.394 1.812 20 0 BDADRP CC[N@@H+]1CC[C@H](NC[C@@H]2CCCC[NH2+]2)[C@@H](C)C1 ZINC000666770361 487877475 /nfs/dbraw/zinc/87/74/75/487877475.db2.gz WECUXOKXTGYLNL-IHRRRGAJSA-N 2 0 239.407 1.448 20 0 BDADRP c1nc2ccccn2c1CN[C@H]1CCC[NH2+]C1 ZINC000666812443 487884904 /nfs/dbraw/zinc/88/49/04/487884904.db2.gz XFNUSKNLMIYTEG-NSHDSACASA-N 2 0 230.315 1.176 20 0 BDADRP C[C@H](CC[NH3+])[NH2+]Cc1ccccc1-n1cncn1 ZINC000666831956 487888065 /nfs/dbraw/zinc/88/80/65/487888065.db2.gz QHMOKTNDWGHMRI-LLVKDONJSA-N 2 0 245.330 1.094 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)[C@@H](C)CO1 ZINC000403799452 487889408 /nfs/dbraw/zinc/88/94/08/487889408.db2.gz DYKNGEOJCKJKGV-XJFOESAGSA-N 2 0 240.391 1.874 20 0 BDADRP CC[C@@H]1C[N@H+](CC2CC[NH2+]CC2)[C@H](CC)CO1 ZINC000403806404 487891458 /nfs/dbraw/zinc/89/14/58/487891458.db2.gz LPHYOLWQBDUJBV-ZIAGYGMSSA-N 2 0 240.391 1.875 20 0 BDADRP COC[C@@]1(C[NH2+][C@H](C)CC2CCC2)CCC[NH2+]1 ZINC000666891942 487899388 /nfs/dbraw/zinc/89/93/88/487899388.db2.gz PIQSSOYQIUHVLY-OCCSQVGLSA-N 2 0 240.391 1.923 20 0 BDADRP COC[C@@H](C)C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000666904089 487900164 /nfs/dbraw/zinc/90/01/64/487900164.db2.gz OQUBNSRCIYUKRE-RYUDHWBXSA-N 2 0 214.353 1.391 20 0 BDADRP CCn1nccc1C[NH2+]C1CCC([NH3+])CC1 ZINC000164841341 487902628 /nfs/dbraw/zinc/90/26/28/487902628.db2.gz KEQZXHFMFGPIQE-UHFFFAOYSA-N 2 0 222.336 1.263 20 0 BDADRP CC[C@H]1CN(Cc2ccnn2CC)CC[C@@H]1[NH3+] ZINC000157093404 487904083 /nfs/dbraw/zinc/90/40/83/487904083.db2.gz PXUQDPHHRRMGBZ-AAEUAGOBSA-N 2 0 236.363 1.462 20 0 BDADRP C[NH+](C)CC1CCC([NH2+]Cc2cn[nH]c2)CC1 ZINC000676725259 487906138 /nfs/dbraw/zinc/90/61/38/487906138.db2.gz LUJLGKHVYAQSEB-UHFFFAOYSA-N 2 0 236.363 1.620 20 0 BDADRP COc1ccccc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666950929 487913427 /nfs/dbraw/zinc/91/34/27/487913427.db2.gz QVNBEUDCKLFAIL-CQSZACIVSA-N 2 0 246.354 1.927 20 0 BDADRP Cc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)nc1 ZINC000666952313 487914146 /nfs/dbraw/zinc/91/41/46/487914146.db2.gz QKJZTKFQNHQGCU-CYBMUJFWSA-N 2 0 231.343 1.622 20 0 BDADRP Cc1ncccc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666952229 487914224 /nfs/dbraw/zinc/91/42/24/487914224.db2.gz LLJURSYUTMONDI-ZDUSSCGKSA-N 2 0 231.343 1.622 20 0 BDADRP CCOC[C@H](C)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666953552 487915219 /nfs/dbraw/zinc/91/52/19/487915219.db2.gz BBKKSDLRZUVQAJ-WDEREUQCSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)C1 ZINC000666954064 487916076 /nfs/dbraw/zinc/91/60/76/487916076.db2.gz PAXKPPWMUZROHG-GRYCIOLGSA-N 2 0 208.349 1.907 20 0 BDADRP C[C@@H](C[NH2+]C[C@@H]1C[NH2+]CCCO1)C(C)(C)C ZINC000666965396 487918304 /nfs/dbraw/zinc/91/83/04/487918304.db2.gz GUHOVAYHIXNOCZ-RYUDHWBXSA-N 2 0 228.380 1.637 20 0 BDADRP Cn1cncc1CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000090168698 487919574 /nfs/dbraw/zinc/91/95/74/487919574.db2.gz BSAYRMOTCFVAHZ-JSGCOSHPSA-N 2 0 248.374 1.384 20 0 BDADRP COCC(C)(C)C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666993929 487923829 /nfs/dbraw/zinc/92/38/29/487923829.db2.gz ULVZSXCYPDLUEL-GFCCVEGCSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H]1C[C@@H](C[N@@H+]2CCC[C@@H]3COC[C@@H]32)CC[NH2+]1 ZINC000667048433 487932963 /nfs/dbraw/zinc/93/29/63/487932963.db2.gz WLHAJFHYIUSGBN-FQUUOJAGSA-N 2 0 238.375 1.485 20 0 BDADRP CC(C)(C)[NH2+]CCN1CCC[C@@H]2COC[C@@H]21 ZINC000667048380 487933225 /nfs/dbraw/zinc/93/32/25/487933225.db2.gz HBTMJKHTPOOPSD-NEPJUHHUSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)C1CC[NH+](C)CC1 ZINC000396445048 487933583 /nfs/dbraw/zinc/93/35/83/487933583.db2.gz OKHZKTFMIOCWPV-MBNYWOFBSA-N 2 0 240.391 1.874 20 0 BDADRP c1cnn(CC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000049326180 487946885 /nfs/dbraw/zinc/94/68/85/487946885.db2.gz HQBDXROEGDIWGG-KBPBESRZSA-N 2 0 248.374 1.347 20 0 BDADRP CC[NH2+]CCCNC(=O)[C@H](CC(C)(C)C)[NH2+]C ZINC000561182685 322996590 /nfs/dbraw/zinc/99/65/90/322996590.db2.gz LYQCJTAUGHXKSM-NSHDSACASA-N 2 0 243.395 1.126 20 0 BDADRP C[C@H]1C[C@@H](CO)CC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000561793728 323007089 /nfs/dbraw/zinc/00/70/89/323007089.db2.gz KADOROJGTGXWLV-MELADBBJSA-N 2 0 240.391 1.564 20 0 BDADRP CC[C@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128485727 323007182 /nfs/dbraw/zinc/00/71/82/323007182.db2.gz JNJCGIABNAEIFR-ZDUSSCGKSA-N 2 0 227.396 1.402 20 0 BDADRP CCCN(C(=O)CCCC[NH3+])C1CC[NH2+]CC1 ZINC000566854479 323019470 /nfs/dbraw/zinc/01/94/70/323019470.db2.gz RPFRXBNVAAGDEO-UHFFFAOYSA-N 2 0 241.379 1.106 20 0 BDADRP C[C@H]1C[C@@H](NCc2ccccc2CO)CC[N@@H+]1C ZINC000151774885 323026817 /nfs/dbraw/zinc/02/68/17/323026817.db2.gz QUPNLMQCCJDXSY-WFASDCNBSA-N 2 0 248.370 1.751 20 0 BDADRP C[C@@H](CC[NH3+])NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000562809247 323031118 /nfs/dbraw/zinc/03/11/18/323031118.db2.gz IMEYSVMOAKCAHN-WCQYABFASA-N 2 0 249.358 1.320 20 0 BDADRP CC[NH2+]CCC[NH2+][C@@H](COC)C1CCOCC1 ZINC000567638838 323034284 /nfs/dbraw/zinc/03/42/84/323034284.db2.gz KSSYCJSOEVERCC-ZDUSSCGKSA-N 2 0 244.379 1.017 20 0 BDADRP CNC(=O)[C@@H](C)C[N@H+](C)CCc1ccncc1C ZINC000569718498 323038899 /nfs/dbraw/zinc/03/88/99/323038899.db2.gz BAHWPOZDXYYCAS-LBPRGKRZSA-N 2 0 249.358 1.246 20 0 BDADRP CCCC[N@H+](C)C[C@@H](C)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000569988856 323046724 /nfs/dbraw/zinc/04/67/24/323046724.db2.gz XEQAKTCJDFIHGE-HZSPNIEDSA-N 2 0 241.423 1.966 20 0 BDADRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]CC2(O)CCC2)C1 ZINC000567683545 323059770 /nfs/dbraw/zinc/05/97/70/323059770.db2.gz QRVXOGAZPKTSTG-RYUDHWBXSA-N 2 0 226.364 1.364 20 0 BDADRP C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CCCCO1 ZINC000390310879 323084222 /nfs/dbraw/zinc/08/42/22/323084222.db2.gz FWKQWDOFEUJTMM-FRRDWIJNSA-N 2 0 224.348 1.097 20 0 BDADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)CCCC[NH3+])C1 ZINC000563078409 323087428 /nfs/dbraw/zinc/08/74/28/323087428.db2.gz YYMGKSDUXWHQHX-NEPJUHHUSA-N 2 0 241.379 1.104 20 0 BDADRP CC(C)COCC[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397301883 323090304 /nfs/dbraw/zinc/09/03/04/323090304.db2.gz KRWQRTRINBFFTJ-MJBXVCDLSA-N 2 0 242.407 1.964 20 0 BDADRP CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000563429679 323124981 /nfs/dbraw/zinc/12/49/81/323124981.db2.gz KYRBGVAFJAIGHO-CHWSQXEVSA-N 2 0 248.374 1.507 20 0 BDADRP CN(C)c1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000563429682 323125050 /nfs/dbraw/zinc/12/50/50/323125050.db2.gz KYRBGVAFJAIGHO-STQMWFEESA-N 2 0 248.374 1.507 20 0 BDADRP Cc1ncc(C[NH2+]C[C@H](C)CCCO)n1C ZINC000563441547 323126729 /nfs/dbraw/zinc/12/67/29/323126729.db2.gz SCZOHLHENXUJKR-SNVBAGLBSA-N 2 0 225.336 1.227 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1NCC[C@H]1CCC[NH2+]1 ZINC000571157213 323136995 /nfs/dbraw/zinc/13/69/95/323136995.db2.gz RZUMCJRALUQBNR-XQQFMLRXSA-N 2 0 225.380 1.236 20 0 BDADRP CC(C)[NH2+]CCC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000571560628 323147897 /nfs/dbraw/zinc/14/78/97/323147897.db2.gz NPIHLWWMSBSUPD-RYUDHWBXSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC[NH2+]1 ZINC000414668583 323151142 /nfs/dbraw/zinc/15/11/42/323151142.db2.gz JILMNXHNECIXPP-RKQHYHRCSA-N 3 0 237.391 1.044 20 0 BDADRP CCOC[C@H](C)[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000414960284 323152292 /nfs/dbraw/zinc/15/22/92/323152292.db2.gz YBZNRRDXUDVMHN-DCAQKATOSA-N 2 0 200.326 1.142 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC000414986855 323152390 /nfs/dbraw/zinc/15/23/90/323152390.db2.gz JQXDLIKDHKELNA-KBPBESRZSA-N 2 0 248.370 1.879 20 0 BDADRP CC(C)[C@@H](C(=O)NCC[N@H+](C)C(C)C)[C@@H](C)[NH3+] ZINC000399377393 323205297 /nfs/dbraw/zinc/20/52/97/323205297.db2.gz BREXNHKAEMDZRS-VXGBXAGGSA-N 2 0 243.395 1.062 20 0 BDADRP Cc1ncccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000530217247 323217322 /nfs/dbraw/zinc/21/73/22/323217322.db2.gz AMNQBPVUCGQKAM-ZLKJLUDKSA-N 2 0 249.358 1.232 20 0 BDADRP COc1ccc(CC[NH2+]CC2CC[NH2+]CC2)cn1 ZINC000530242757 323220203 /nfs/dbraw/zinc/22/02/03/323220203.db2.gz CXRVWXWWNPDQBS-UHFFFAOYSA-N 2 0 249.358 1.222 20 0 BDADRP C[N@H+](C[C@@H]1CCCC[C@@H]1O)C1CC[NH2+]CC1 ZINC000328460289 323251898 /nfs/dbraw/zinc/25/18/98/323251898.db2.gz GYGFEHSPBDWGQJ-AAEUAGOBSA-N 2 0 226.364 1.221 20 0 BDADRP [NH3+]C1(c2noc([C@@H]3CCCCC[NH2+]3)n2)CCC1 ZINC000563958238 323331821 /nfs/dbraw/zinc/33/18/21/323331821.db2.gz YZKKOIPASRVPBC-VIFPVBQESA-N 2 0 236.319 1.612 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccccc1CO ZINC000572027039 323526540 /nfs/dbraw/zinc/52/65/40/323526540.db2.gz VVIIXPQBWDBJKF-MNOVXSKESA-N 2 0 222.332 1.394 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000227505265 487962133 /nfs/dbraw/zinc/96/21/33/487962133.db2.gz AZKZZZHBBDEYNQ-VWYCJHECSA-N 2 0 216.394 1.810 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)CCO)CC1 ZINC000122919726 324064003 /nfs/dbraw/zinc/06/40/03/324064003.db2.gz YVPNSVDBXDCCSO-NSHDSACASA-N 2 0 214.353 1.220 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]CCC[NH+](C)C)[C@H]1SC ZINC000459369411 324146091 /nfs/dbraw/zinc/14/60/91/324146091.db2.gz NUMINPNYUPKMIU-QJPTWQEYSA-N 2 0 246.420 1.437 20 0 BDADRP Fc1ccc(CNC[C@@H]2CC[N@@H+](C3CC3)C2)nc1 ZINC000529532365 324327044 /nfs/dbraw/zinc/32/70/44/324327044.db2.gz ITWCWRQJDLJKNX-NSHDSACASA-N 2 0 249.333 1.795 20 0 BDADRP c1cc2ccc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)cc2[nH]1 ZINC000529536846 324330003 /nfs/dbraw/zinc/33/00/03/324330003.db2.gz NTMRNNNVMSZYMW-KBPBESRZSA-N 2 0 241.338 1.819 20 0 BDADRP C[C@H](N[C@H]1CC[NH2+]C12CCC2)[C@H]1CCCC[NH2+]1 ZINC000530215802 324531394 /nfs/dbraw/zinc/53/13/94/324531394.db2.gz JDJGARITWZBXJK-XQQFMLRXSA-N 2 0 237.391 1.391 20 0 BDADRP C[C@@H](N[C@H]1CC[NH2+]C12CCC2)[C@H]1CCC[NH2+]1 ZINC000530215873 324532178 /nfs/dbraw/zinc/53/21/78/324532178.db2.gz JVIIZJCKGIEKLG-UTUOFQBUSA-N 2 0 223.364 1.001 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1ncccc1F ZINC000530235309 324550512 /nfs/dbraw/zinc/55/05/12/324550512.db2.gz IDDBVMPVRQIEPB-JTQLQIEISA-N 2 0 237.322 1.871 20 0 BDADRP CCC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530238873 324552691 /nfs/dbraw/zinc/55/26/91/324552691.db2.gz OXWSHEPMXGRXPT-ZDUSSCGKSA-N 2 0 226.364 1.487 20 0 BDADRP COC[C@H](C)C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000220870037 324621331 /nfs/dbraw/zinc/62/13/31/324621331.db2.gz BXUABXNRYJXLDS-GFCCVEGCSA-N 2 0 228.380 1.590 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)C1CCOCC1 ZINC000126398723 324695514 /nfs/dbraw/zinc/69/55/14/324695514.db2.gz IFNUWDJXZKCSCO-GFCCVEGCSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H](NCC[C@H]1CCC[NH2+]1)c1nccs1 ZINC000070733422 325026118 /nfs/dbraw/zinc/02/61/18/325026118.db2.gz JPVZFKPDMURWAQ-VHSXEESVSA-N 2 0 225.361 1.936 20 0 BDADRP COC[C@@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000131873161 325188823 /nfs/dbraw/zinc/18/88/23/325188823.db2.gz LHUHHPNTDAVJJS-LLVKDONJSA-N 2 0 226.364 1.485 20 0 BDADRP CC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000076000757 325325675 /nfs/dbraw/zinc/32/56/75/325325675.db2.gz PZJICEQLUCNXIF-CHWSQXEVSA-N 2 0 228.380 1.421 20 0 BDADRP CCOC[C@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000547654764 325379934 /nfs/dbraw/zinc/37/99/34/325379934.db2.gz ZBEWWASXMUEUCU-LBPRGKRZSA-N 2 0 240.391 1.875 20 0 BDADRP COC[C@@H](C)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000134896514 325381736 /nfs/dbraw/zinc/38/17/36/325381736.db2.gz IMRDIFXEXDGJDU-OLZOCXBDSA-N 2 0 228.380 1.875 20 0 BDADRP CC[C@@H]([NH3+])C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000152840551 325805173 /nfs/dbraw/zinc/80/51/73/325805173.db2.gz IUFZPCGRBPYRLO-CYBMUJFWSA-N 2 0 249.358 1.102 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000564827785 325813730 /nfs/dbraw/zinc/81/37/30/325813730.db2.gz FUWATPUAUYMOJJ-XJFOESAGSA-N 3 0 237.391 1.092 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2C[C@@H]2C(F)F)C1 ZINC000565430176 325910529 /nfs/dbraw/zinc/91/05/29/325910529.db2.gz CQTFCUVBAVTZIH-XGEHTFHBSA-N 2 0 204.264 1.500 20 0 BDADRP CC(C)[NH2+]CCC[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000566088195 325992106 /nfs/dbraw/zinc/99/21/06/325992106.db2.gz BXSGZLRJYNETCZ-QJPTWQEYSA-N 2 0 214.353 1.530 20 0 BDADRP C[C@@H]([NH3+])CCC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000566201117 326011896 /nfs/dbraw/zinc/01/18/96/326011896.db2.gz XIWALSJMXBNXDB-MNOVXSKESA-N 2 0 249.358 1.450 20 0 BDADRP C[NH2+]CCCN(C)C(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000566209683 326013700 /nfs/dbraw/zinc/01/37/00/326013700.db2.gz ZDDSVAYCIXVDMZ-LLVKDONJSA-N 2 0 249.358 1.388 20 0 BDADRP CC(C)[N@@H+](C)C[C@H](C)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000566480977 326055602 /nfs/dbraw/zinc/05/56/02/326055602.db2.gz CXZWEHAVMWVGAI-XQQFMLRXSA-N 2 0 227.396 1.575 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000566482929 326056206 /nfs/dbraw/zinc/05/62/06/326056206.db2.gz QQGDRLLIFSBVKR-NNYUYHANSA-N 2 0 211.353 1.116 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCC2=CC[NH2+]CC2)C1 ZINC000566483788 326056346 /nfs/dbraw/zinc/05/63/46/326056346.db2.gz WWGGBJBOPQGUOL-CHWSQXEVSA-N 3 0 223.364 1.156 20 0 BDADRP C[C@H](C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)C[NH+](C)C ZINC000566778829 326082000 /nfs/dbraw/zinc/08/20/00/326082000.db2.gz ZSISRTLQAFTQMU-NDBYEHHHSA-N 2 0 228.380 1.730 20 0 BDADRP [NH3+]CCCC[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000567029078 326102929 /nfs/dbraw/zinc/10/29/29/326102929.db2.gz XIUABZCMUWOFLT-UHFFFAOYSA-N 2 0 244.342 1.701 20 0 BDADRP [NH3+]CC1(C[NH2+]Cc2cccc3c2CCCN3)CC1 ZINC000567471862 326198257 /nfs/dbraw/zinc/19/82/57/326198257.db2.gz QEQPOFAFYMAAGS-UHFFFAOYSA-N 2 0 245.370 1.873 20 0 BDADRP CC[N@@H+]1CC[C@H](NCC[NH+](C)C(C)C)[C@H](C)C1 ZINC000155750180 326210765 /nfs/dbraw/zinc/21/07/65/326210765.db2.gz RZQWFTWAZCDXSE-KGLIPLIRSA-N 2 0 241.423 1.647 20 0 BDADRP CC[NH2+]CCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000567579849 326221316 /nfs/dbraw/zinc/22/13/16/326221316.db2.gz MDKYKXWQTYPILZ-XQQFMLRXSA-N 2 0 238.375 1.533 20 0 BDADRP [NH3+]C[C@@H]1C[N@H+](CC2(F)CC2)CC12CCOCC2 ZINC000567588628 326224156 /nfs/dbraw/zinc/22/41/56/326224156.db2.gz CXOVQRGKPAGKDC-LLVKDONJSA-N 2 0 242.338 1.176 20 0 BDADRP COC[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)C(C)C ZINC000567613630 326229379 /nfs/dbraw/zinc/22/93/79/326229379.db2.gz GEFMZRMYPHCYHK-AWEZNQCLSA-N 2 0 236.359 1.906 20 0 BDADRP C[C@H](O)C[NH2+]CCCCC[NH+]1CCCCC1 ZINC000567690392 326245578 /nfs/dbraw/zinc/24/55/78/326245578.db2.gz AHTFGYXQSNHFCX-ZDUSSCGKSA-N 2 0 228.380 1.613 20 0 BDADRP C[NH+](C)CCSCCC[NH+]1CCOCC1 ZINC000157683705 326290421 /nfs/dbraw/zinc/29/04/21/326290421.db2.gz RLKYXOSCAICJOH-UHFFFAOYSA-N 2 0 232.393 1.004 20 0 BDADRP CN(C)c1cc[nH+]cc1CNCCC[NH+]1CCC1 ZINC000568236864 326331950 /nfs/dbraw/zinc/33/19/50/326331950.db2.gz XAQPPKYZDGHFPE-UHFFFAOYSA-N 2 0 248.374 1.333 20 0 BDADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC000568381937 326351997 /nfs/dbraw/zinc/35/19/97/326351997.db2.gz YPHZQVGIOJNMLB-SKDRFNHKSA-N 2 0 208.349 1.892 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C(C)C)C1 ZINC000568649545 326369273 /nfs/dbraw/zinc/36/92/73/326369273.db2.gz MPBIDPHNJBGXRA-KGLIPLIRSA-N 2 0 242.407 1.667 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](C(C)C)C1 ZINC000568649546 326369311 /nfs/dbraw/zinc/36/93/11/326369311.db2.gz MPBIDPHNJBGXRA-UONOGXRCSA-N 2 0 242.407 1.667 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)CCC[NH3+])cc1 ZINC000568878084 326380755 /nfs/dbraw/zinc/38/07/55/326380755.db2.gz FZEPQLOGMZTWLT-SECBINFHSA-N 2 0 221.304 1.384 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000569104359 326390183 /nfs/dbraw/zinc/39/01/83/326390183.db2.gz GVOQFDNJUBYAEB-CYBMUJFWSA-N 2 0 235.331 1.194 20 0 BDADRP CC[NH2+]Cc1cccc(NC(=O)[C@H](C)[NH2+]C)c1 ZINC000569137978 326392281 /nfs/dbraw/zinc/39/22/81/326392281.db2.gz JDZCSBPASXZYLG-JTQLQIEISA-N 2 0 235.331 1.343 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000666149191 487983520 /nfs/dbraw/zinc/98/35/20/487983520.db2.gz HSZMJTJYHHKKAD-FPMFFAJLSA-N 2 0 240.391 1.874 20 0 BDADRP CCN(CCO)CC[NH2+][C@@H](C)CC(C)C ZINC000186578127 487987807 /nfs/dbraw/zinc/98/78/07/487987807.db2.gz ODMHEORUMYUIFF-LBPRGKRZSA-N 2 0 216.369 1.325 20 0 BDADRP CC(C)[C@](C)(O)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400960785 488010698 /nfs/dbraw/zinc/01/06/98/488010698.db2.gz LCPJBJVZJZSDQJ-AAVRWANBSA-N 2 0 240.391 1.371 20 0 BDADRP CC[C@H]1C[N@H+](CCOC(C)C)CC[C@@H]1[NH3+] ZINC000147411360 488014233 /nfs/dbraw/zinc/01/42/33/488014233.db2.gz GEUNXQUJZSVHMC-RYUDHWBXSA-N 2 0 214.353 1.471 20 0 BDADRP CC[C@H](O)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000229966782 488015711 /nfs/dbraw/zinc/01/57/11/488015711.db2.gz WSMXNWGULVROGV-PWSUYJOCSA-N 2 0 214.353 1.077 20 0 BDADRP CC[NH2+][C@H](C)CNC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000449502070 488019845 /nfs/dbraw/zinc/01/98/45/488019845.db2.gz QWNOIVZSMSKGPY-IJLUTSLNSA-N 2 0 241.379 1.008 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCO1 ZINC000084215653 488037932 /nfs/dbraw/zinc/03/79/32/488037932.db2.gz QHZLLDGSUBSZRG-GRYCIOLGSA-N 2 0 212.337 1.273 20 0 BDADRP C[C@@]1(CN2CCO[C@](C)(C(F)F)C2)CC[NH2+]C1 ZINC000663515092 488058456 /nfs/dbraw/zinc/05/84/56/488058456.db2.gz ZYKYELNTCTVXMR-NEPJUHHUSA-N 2 0 248.317 1.342 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)[C@@H]1CCCCO1 ZINC000656200605 488066277 /nfs/dbraw/zinc/06/62/77/488066277.db2.gz BBTUVTADGSHAGN-DRZSPHRISA-N 2 0 226.364 1.532 20 0 BDADRP C[N@@H+]1CCN(Cc2cnc3n2CCC3)C(C)(C)C1 ZINC000667644303 488068035 /nfs/dbraw/zinc/06/80/35/488068035.db2.gz DDMUEJLHQJOJBR-UHFFFAOYSA-N 2 0 248.374 1.355 20 0 BDADRP C[C@@H](CC[NH3+])[NH2+]C[C@H]1CCOc2ccccc21 ZINC000136136963 488082974 /nfs/dbraw/zinc/08/29/74/488082974.db2.gz IZFXBBNIOQLDSR-NWDGAFQWSA-N 2 0 234.343 1.880 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414919615 488084118 /nfs/dbraw/zinc/08/41/18/488084118.db2.gz VHCAIDWSDURPOJ-WOPDTQHZSA-N 2 0 213.369 1.219 20 0 BDADRP CCC[N@H+](CC)CCNC(=O)CC1([NH3+])CCC1 ZINC000226407763 488085417 /nfs/dbraw/zinc/08/54/17/488085417.db2.gz RZRZADZRIWBJFN-UHFFFAOYSA-N 2 0 241.379 1.106 20 0 BDADRP Cc1cncc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000402844342 488103695 /nfs/dbraw/zinc/10/36/95/488103695.db2.gz PYHIVCZISGXSMR-QWHCGFSZSA-N 2 0 248.374 1.400 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC2CCC(O)CC2)CC[N@@H+]1C ZINC000227648883 488108515 /nfs/dbraw/zinc/10/85/15/488108515.db2.gz CHLZALHRWNTUIO-RJZJGCCBSA-N 2 0 240.391 1.610 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)Nc1cccc(C[NH3+])c1 ZINC000669508314 488109391 /nfs/dbraw/zinc/10/93/91/488109391.db2.gz DRDLIKLWTMHSTG-ZDUSSCGKSA-N 2 0 235.331 1.601 20 0 BDADRP C[C@H](C[NH2+]CC1(O)CC[NH+](C)CC1)C(C)(C)C ZINC000397552977 488122671 /nfs/dbraw/zinc/12/26/71/488122671.db2.gz IKEQJGAADDREHH-GFCCVEGCSA-N 2 0 242.407 1.715 20 0 BDADRP Cc1nccn1CC[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000667822676 488128641 /nfs/dbraw/zinc/12/86/41/488128641.db2.gz QHHMDALPHQQFHJ-QWHCGFSZSA-N 2 0 235.331 1.349 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(C)(C)CC1 ZINC000310547557 488130757 /nfs/dbraw/zinc/13/07/57/488130757.db2.gz SVBSQOYFWIPSCF-ZDUSSCGKSA-N 2 0 242.407 1.810 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@@H](C)C1 ZINC000310543762 488130800 /nfs/dbraw/zinc/13/08/00/488130800.db2.gz RTEHVZZWIHTIRL-RDBSUJKOSA-N 2 0 242.407 1.665 20 0 BDADRP CO[C@@H](C[N@H+](C)C1CC[NH2+]CC1)C1CCC1 ZINC000662238815 487471314 /nfs/dbraw/zinc/47/13/14/487471314.db2.gz XIYIKSZMKPADIW-ZDUSSCGKSA-N 2 0 226.364 1.485 20 0 BDADRP CC[NH+](CC)CCCNC(=O)[C@H]([NH3+])CC(C)C ZINC000019440498 487473381 /nfs/dbraw/zinc/47/33/81/487473381.db2.gz FWEYGIOIUAXPGR-GFCCVEGCSA-N 2 0 243.395 1.208 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H](CC[NH3+])C2)O1 ZINC000227063513 487491537 /nfs/dbraw/zinc/49/15/37/487491537.db2.gz PYZBKLVKWMLOHC-FRRDWIJNSA-N 2 0 226.364 1.615 20 0 BDADRP CCC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C(C)C ZINC000380973045 487492194 /nfs/dbraw/zinc/49/21/94/487492194.db2.gz AWMRLGLWQRJVHH-ZDUSSCGKSA-N 2 0 230.396 1.808 20 0 BDADRP Cc1cccnc1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000381019339 487493663 /nfs/dbraw/zinc/49/36/63/487493663.db2.gz ORGBYBGOOLWMJQ-ZFWWWQNUSA-N 2 0 245.370 1.951 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCCC1(C)C ZINC000381061217 487494967 /nfs/dbraw/zinc/49/49/67/487494967.db2.gz LCTXCTDCWCEFLE-GFCCVEGCSA-N 2 0 228.380 1.562 20 0 BDADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)o1 ZINC000086403994 487500863 /nfs/dbraw/zinc/50/08/63/487500863.db2.gz INFZPWIZCNPYRE-GHMZBOCLSA-N 2 0 208.305 1.948 20 0 BDADRP FC1(F)C[C@@H]1OCCN1CC[C@]2(CC[NH2+]C2)C1 ZINC000662266949 487505723 /nfs/dbraw/zinc/50/57/23/487505723.db2.gz QYPDPWQJLGPRME-QWRGUYRKSA-N 2 0 246.301 1.096 20 0 BDADRP Cc1nc(CN2C[C@@H](C[NH3+])C[C@H]2C)co1 ZINC000381869442 487525939 /nfs/dbraw/zinc/52/59/39/487525939.db2.gz KHWWZLVHKJSOIB-PSASIEDQSA-N 2 0 209.293 1.152 20 0 BDADRP Cc1n[nH]c(C)c1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000334845207 487572686 /nfs/dbraw/zinc/57/26/86/487572686.db2.gz JQYUGJDQUSISPH-WDEREUQCSA-N 2 0 222.336 1.386 20 0 BDADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCCc1cncn1C ZINC000314401035 487665389 /nfs/dbraw/zinc/66/53/89/487665389.db2.gz TWNBSKUCMBUXCO-RYUDHWBXSA-N 2 0 236.363 1.022 20 0 BDADRP Cc1ccc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000414992250 487834053 /nfs/dbraw/zinc/83/40/53/487834053.db2.gz BOGPFZQYJZQRPG-GXTWGEPZSA-N 2 0 233.359 1.997 20 0 BDADRP CC[C@H]1C[N@H+](CCc2ccnn2C)CC[C@@H]1[NH3+] ZINC000230745771 488150644 /nfs/dbraw/zinc/15/06/44/488150644.db2.gz GEDBKNTXRHDDKM-AAEUAGOBSA-N 2 0 236.363 1.022 20 0 BDADRP C[N@H+]1CC=C(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667924287 488159060 /nfs/dbraw/zinc/15/90/60/488159060.db2.gz LAFYIWPMNOMJKP-ZIAGYGMSSA-N 2 0 236.359 1.405 20 0 BDADRP C(CN1CCCC1)[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000667927994 488160732 /nfs/dbraw/zinc/16/07/32/488160732.db2.gz MKKJKIWYVYHODM-STQMWFEESA-N 2 0 224.348 1.239 20 0 BDADRP CC(C)CC[N@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000390672035 488173067 /nfs/dbraw/zinc/17/30/67/488173067.db2.gz VSSQQKZMEPAZKE-CYBMUJFWSA-N 2 0 230.396 1.665 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)CC1CC1 ZINC000380123657 488175339 /nfs/dbraw/zinc/17/53/39/488175339.db2.gz VEILTSPJCSGDAW-LBPRGKRZSA-N 2 0 214.353 1.029 20 0 BDADRP CC[C@@H](C)[N@H+](CC)C[C@@H]1CNCCO1 ZINC000043802178 488208655 /nfs/dbraw/zinc/20/86/55/488208655.db2.gz OTFKJBSNBOXZPO-MNOVXSKESA-N 2 0 200.326 1.095 20 0 BDADRP Cc1ncc(C[N@H+](C)[C@@H]2CCCOC2)n1C ZINC000668141227 488208973 /nfs/dbraw/zinc/20/89/73/488208973.db2.gz YXMKOKRPKKNURU-LLVKDONJSA-N 2 0 223.320 1.339 20 0 BDADRP C[N@H+](CC1CC1)C[C@H]1CCN(Cc2cn[nH]c2)C1 ZINC000678285538 488237150 /nfs/dbraw/zinc/23/71/50/488237150.db2.gz MCHJMNHVNZKGAR-CYBMUJFWSA-N 2 0 248.374 1.573 20 0 BDADRP c1ccc([C@@H]2C[C@@H]2C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000678343385 488243400 /nfs/dbraw/zinc/24/34/00/488243400.db2.gz SNWZRFUMKOMUEL-WCVJEAGWSA-N 2 0 242.366 1.941 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000049553830 488303634 /nfs/dbraw/zinc/30/36/34/488303634.db2.gz BRXAUJAPKFRAQY-STQMWFEESA-N 3 0 241.423 1.647 20 0 BDADRP COC1CC[NH+](CCNc2cc[nH+]cc2C)CC1 ZINC000684576656 488328729 /nfs/dbraw/zinc/32/87/29/488328729.db2.gz PEQIDFPPSVHUBH-UHFFFAOYSA-N 2 0 249.358 1.335 20 0 BDADRP CC[C@H](CC(F)F)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000659851317 490093420 /nfs/dbraw/zinc/09/34/20/490093420.db2.gz YPHSSMYOJJSZOB-VWYCJHECSA-N 2 0 232.318 1.819 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@@H](C)C[C@H](C)[NH3+] ZINC000665283032 490096158 /nfs/dbraw/zinc/09/61/58/490096158.db2.gz GLDNGFHPKLHVFB-GARJFASQSA-N 2 0 201.358 1.075 20 0 BDADRP CC(C)[C@@](C)(O)C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000133533364 490194010 /nfs/dbraw/zinc/19/40/10/490194010.db2.gz WJSBJMMLUQHNHA-AGIUHOORSA-N 2 0 228.380 1.323 20 0 BDADRP C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCC[NH3+] ZINC000414765699 490211805 /nfs/dbraw/zinc/21/18/05/490211805.db2.gz QEFKUFXDJWTPGN-HTQZYQBOSA-N 2 0 210.243 1.608 20 0 BDADRP C[C@@H](C[NH2+][C@@H]1CCCOC1)C[NH+]1CCCCC1 ZINC000070464854 490215844 /nfs/dbraw/zinc/21/58/44/490215844.db2.gz XCOFYJDWYKDMKI-UONOGXRCSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@H](CO)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123450272 490237618 /nfs/dbraw/zinc/23/76/18/490237618.db2.gz XMMQKDBDZVYFHE-ZDUSSCGKSA-N 2 0 242.407 1.669 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCCn2ccnc2)C1 ZINC000086402615 490414476 /nfs/dbraw/zinc/41/44/76/490414476.db2.gz YMYTZHFKQOGAMO-VXGBXAGGSA-N 2 0 222.336 1.133 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@](C)(C[NH3+])C2)O1 ZINC000300351523 490557643 /nfs/dbraw/zinc/55/76/43/490557643.db2.gz BEKQYVJLHIGCSH-IJLUTSLNSA-N 2 0 212.337 1.225 20 0 BDADRP CC[C@@H](O)CC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000128323511 490576967 /nfs/dbraw/zinc/57/69/67/490576967.db2.gz RKTMFPXLSAKWFS-DGCLKSJQSA-N 2 0 228.380 1.467 20 0 BDADRP Cn1cncc1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000401633307 490581630 /nfs/dbraw/zinc/58/16/30/490581630.db2.gz BEWQCXFPXYADHA-STQMWFEESA-N 2 0 248.374 1.179 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCSC1)C1CC[NH+](C)CC1 ZINC000222147180 490606845 /nfs/dbraw/zinc/60/68/45/490606845.db2.gz ABQSNKXMXAYKKJ-CMPLNLGQSA-N 2 0 228.405 1.812 20 0 BDADRP C[N@@H+](Cc1ccc(O)cc1)C[C@H]1CC[NH+](C)C1 ZINC000131445744 490639245 /nfs/dbraw/zinc/63/92/45/490639245.db2.gz LWENVPRZQFWQFT-ZDUSSCGKSA-N 2 0 234.343 1.776 20 0 BDADRP C[C@@H](O)CCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000228041090 491088441 /nfs/dbraw/zinc/08/84/41/491088441.db2.gz AREVZHGXYBRIDU-NEPJUHHUSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+]CCCc1cnn(C)c1 ZINC000314735642 491090924 /nfs/dbraw/zinc/09/09/24/491090924.db2.gz PLSLHZHAUDMIEZ-GFCCVEGCSA-N 2 0 238.379 1.283 20 0 BDADRP C[NH+](C)Cc1cc(C[NH2+]CCC[NH3+])ccc1F ZINC000415110201 491092562 /nfs/dbraw/zinc/09/25/62/491092562.db2.gz QJDRXLUIRJICSI-UHFFFAOYSA-N 3 0 239.338 1.326 20 0 BDADRP CCn1ccnc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655827645 491098653 /nfs/dbraw/zinc/09/86/53/491098653.db2.gz WEIILLZKXBPMGT-TXEJJXNPSA-N 2 0 236.363 1.333 20 0 BDADRP Cc1ccc(O)c(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)n1 ZINC000414852571 491111168 /nfs/dbraw/zinc/11/11/68/491111168.db2.gz KBPTWTWKIAMYON-RYUDHWBXSA-N 2 0 249.358 1.573 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CCOC1)C1CC[NH+](C)CC1 ZINC000230410437 491130006 /nfs/dbraw/zinc/13/00/06/491130006.db2.gz ZGWOFHNKPYJPHS-OLZOCXBDSA-N 2 0 240.391 1.733 20 0 BDADRP CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000309662927 491154105 /nfs/dbraw/zinc/15/41/05/491154105.db2.gz RZLPJVYCFNNJJS-SRVKXCTJSA-N 2 0 228.380 1.730 20 0 BDADRP COC1(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)CCCC1 ZINC000310335522 491161078 /nfs/dbraw/zinc/16/10/78/491161078.db2.gz MRGSISYEFFRETH-ZDUSSCGKSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@H]([NH2+]CC(C)(C)O)C1CC[NH+](C)CC1 ZINC000083461284 491161792 /nfs/dbraw/zinc/16/17/92/491161792.db2.gz JOEAAWYFXXJSLZ-JTQLQIEISA-N 2 0 214.353 1.077 20 0 BDADRP CC[C@@](C)(O)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000083462518 491161793 /nfs/dbraw/zinc/16/17/93/491161793.db2.gz QNQZUHQTFNSSKM-DGCLKSJQSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[C@@H](C)O1 ZINC000401000141 533963912 /nfs/dbraw/zinc/96/39/12/533963912.db2.gz BAZLEHLTFLIOJZ-HUXGKSLCSA-N 2 0 238.375 1.530 20 0 BDADRP CCOCC[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000261528218 535627104 /nfs/dbraw/zinc/62/71/04/535627104.db2.gz KDVILMVLHRONLP-JTQLQIEISA-N 2 0 200.326 1.001 20 0 BDADRP C[C@@H]1C[C@H]1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000488318914 534017865 /nfs/dbraw/zinc/01/78/65/534017865.db2.gz BRQJTNINRNGEBP-AGIUHOORSA-N 2 0 210.365 1.916 20 0 BDADRP CC[C@H](COC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000070657830 536120932 /nfs/dbraw/zinc/12/09/32/536120932.db2.gz IRKVWCZGBHLILB-ODWCKFRGSA-N 2 0 226.364 1.626 20 0 BDADRP C[NH+](C)[C@H]1CCCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000084420561 536137566 /nfs/dbraw/zinc/13/75/66/536137566.db2.gz GFTHQIMNZMHLFQ-STQMWFEESA-N 2 0 225.380 1.012 20 0 BDADRP c1ccc2c(c1)CC[C@H]([NH2+]C[C@H]1CC[NH2+]C1)CO2 ZINC000335496847 518203850 /nfs/dbraw/zinc/20/38/50/518203850.db2.gz QGBFXDBGARQMLW-JSGCOSHPSA-N 2 0 246.354 1.579 20 0 BDADRP CC(C)NC(=[NH2+])NCC[C@H]1CCC[N@H+](C)C1 ZINC000849041697 582839094 /nfs/dbraw/zinc/83/90/94/582839094.db2.gz VPHQUGSMNROAPE-LLVKDONJSA-N 2 0 226.368 1.241 20 0 BDADRP C[NH+](C)CCC[NH2+]C[C@@H]1C[C@]1(C)Br ZINC000892430053 582884970 /nfs/dbraw/zinc/88/49/70/582884970.db2.gz ZLTHHACEEACXFZ-UWVGGRQHSA-N 2 0 249.196 1.701 20 0 BDADRP C[C@H](O)CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000238851045 525728526 /nfs/dbraw/zinc/72/85/26/525728526.db2.gz DUQNWNUTORGVJR-NOOOWODRSA-N 2 0 214.353 1.076 20 0 BDADRP CCC1(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)COC1 ZINC000400350874 527752129 /nfs/dbraw/zinc/75/21/29/527752129.db2.gz JZEKABGDLDXNBJ-QWRGUYRKSA-N 2 0 212.337 1.143 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2C[C@H]2C)C1 ZINC000488355147 527819502 /nfs/dbraw/zinc/81/95/02/527819502.db2.gz RONBSJMKVOGAAF-AGIUHOORSA-N 2 0 210.365 1.916 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H]2O)[C@H](C)C1 ZINC000305129668 527879505 /nfs/dbraw/zinc/87/95/05/527879505.db2.gz JLVMKBUFDMVSNY-ZOBORPQBSA-N 2 0 240.391 1.467 20 0 BDADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000495043878 528038168 /nfs/dbraw/zinc/03/81/68/528038168.db2.gz BSGDYESRCHNXQV-XJFOESAGSA-N 2 0 242.407 1.977 20 0 BDADRP CCCN(C[C@H]([NH3+])CC(C)C)C1CC[NH2+]CC1 ZINC000414660588 528125008 /nfs/dbraw/zinc/12/50/08/528125008.db2.gz VJOGVUNTBQVPGV-CYBMUJFWSA-N 2 0 241.423 1.824 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@@H]1C[N@H+](CC)C[C@H]1C ZINC000475354289 528267719 /nfs/dbraw/zinc/26/77/19/528267719.db2.gz SMCQOMYAUNVBJX-MGPQQGTHSA-N 2 0 241.423 1.647 20 0 BDADRP CC[N@@H+]1CCC[C@@H](C[NH2+]CC(C)(C)COC)C1 ZINC000494158925 529051363 /nfs/dbraw/zinc/05/13/63/529051363.db2.gz ARWFFTIULBWORB-ZDUSSCGKSA-N 2 0 242.407 1.981 20 0 BDADRP COC[C@@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000227496216 536548714 /nfs/dbraw/zinc/54/87/14/536548714.db2.gz QLZHTNUYPRJVDH-LLVKDONJSA-N 2 0 214.353 1.343 20 0 BDADRP CC(C)[C@H](CO)[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093516882 535038031 /nfs/dbraw/zinc/03/80/31/535038031.db2.gz JZCFXZIJIQESCD-RDBSUJKOSA-N 2 0 242.407 1.904 20 0 BDADRP CC1(C)[C@H]([NH2+]CCCC[NH3+])[C@@H]2CCCO[C@H]21 ZINC000227082360 535069321 /nfs/dbraw/zinc/06/93/21/535069321.db2.gz FOSBEMLBXGSTLW-QJPTWQEYSA-N 2 0 226.364 1.519 20 0 BDADRP CC(C)[C@](C)(O)C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000261531935 535285952 /nfs/dbraw/zinc/28/59/52/535285952.db2.gz IKOGPMJAVXBCEB-SDDRHHMPSA-N 2 0 214.353 1.110 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000262598927 535522498 /nfs/dbraw/zinc/52/24/98/535522498.db2.gz NLGFCEMGGAAWEY-WCQYABFASA-N 2 0 243.395 1.336 20 0 BDADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCCO ZINC000348325825 535577671 /nfs/dbraw/zinc/57/76/71/535577671.db2.gz WTXFDDNSICRVGI-KBPBESRZSA-N 2 0 242.407 1.859 20 0 BDADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CC[C@H](C)[NH3+] ZINC000252582921 535584522 /nfs/dbraw/zinc/58/45/22/535584522.db2.gz WNOFEWCRYPRBHQ-RYUDHWBXSA-N 2 0 241.379 1.057 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000223192003 535590358 /nfs/dbraw/zinc/59/03/58/535590358.db2.gz VOCCZUXRNFBRGP-IHRRRGAJSA-N 2 0 241.423 1.789 20 0 BDADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)C(C)C)CC1 ZINC000155605062 535741830 /nfs/dbraw/zinc/74/18/30/535741830.db2.gz YXYHOQWVCVGSCE-KGLIPLIRSA-N 2 0 241.423 1.647 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(O)CCC2)[C@@H](C)C1 ZINC000223404248 535768689 /nfs/dbraw/zinc/76/86/89/535768689.db2.gz LGAAQKHEHAOQOK-RYUDHWBXSA-N 2 0 226.364 1.221 20 0 BDADRP CC[C@@H]([NH2+]CCOCC[NH+](C)C)C1CC1 ZINC000219312223 535803974 /nfs/dbraw/zinc/80/39/74/535803974.db2.gz WYMCEHVRIYAMIR-GFCCVEGCSA-N 2 0 214.353 1.343 20 0 BDADRP CC[C@@H]([NH2+]CCOCC[NH+](C)C)C(C)C ZINC000219311893 535804044 /nfs/dbraw/zinc/80/40/44/535804044.db2.gz UKZZQCWPQXVBBM-GFCCVEGCSA-N 2 0 216.369 1.589 20 0 BDADRP C[NH+](C)C[C@H]1CC[N@H+](CCCCF)C1 ZINC000351758796 535964740 /nfs/dbraw/zinc/96/47/40/535964740.db2.gz QVOVNZYKXQAZAS-LLVKDONJSA-N 2 0 202.317 1.620 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251134984 536091957 /nfs/dbraw/zinc/09/19/57/536091957.db2.gz ZCPWBDBCAZWYII-RDBSUJKOSA-N 2 0 240.391 1.611 20 0 BDADRP CC[C@H](CCO)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000217706269 536098489 /nfs/dbraw/zinc/09/84/89/536098489.db2.gz UFAFMRRJUMKLMV-HONMWMINSA-N 2 0 234.343 1.882 20 0 BDADRP CN(CCC[NH+]1CCCC1)C[C@@H]1CCC[NH2+]C1 ZINC000234298800 536346511 /nfs/dbraw/zinc/34/65/11/536346511.db2.gz WCTHQIWPJFQLNQ-CQSZACIVSA-N 2 0 239.407 1.404 20 0 BDADRP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@H]3CCOC3)C2)C1 ZINC000335901306 536395524 /nfs/dbraw/zinc/39/55/24/536395524.db2.gz XEKNDRKJRCSNER-KGLIPLIRSA-N 2 0 238.375 1.441 20 0 BDADRP C[NH2+][C@H]1CCCN(CCC2CC[NH2+]CC2)C1 ZINC000261776941 536412455 /nfs/dbraw/zinc/41/24/55/536412455.db2.gz OUCUSHHLQCLNCE-ZDUSSCGKSA-N 2 0 225.380 1.060 20 0 BDADRP C[N@@H+]1CCN(C[C@@H]2CCC[NH2+]C2)C(C)(C)C1 ZINC000336053131 536414923 /nfs/dbraw/zinc/41/49/23/536414923.db2.gz ICLRDJOIZZEZSU-GFCCVEGCSA-N 2 0 225.380 1.012 20 0 BDADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CC[C@@H]2C)CC1 ZINC000783226074 582949860 /nfs/dbraw/zinc/94/98/60/582949860.db2.gz ZIOJJKJLEJEIJF-BFHYXJOUSA-N 2 0 239.407 1.401 20 0 BDADRP CCn1cc(C[NH2+]CCCC[NH+](C)C)c(C)n1 ZINC000892739993 582974126 /nfs/dbraw/zinc/97/41/26/582974126.db2.gz HKIFQJFXKITYKQ-UHFFFAOYSA-N 2 0 238.379 1.643 20 0 BDADRP CC(=O)OC[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000893094009 583048545 /nfs/dbraw/zinc/04/85/45/583048545.db2.gz CUVJIGULBKVHQZ-CYZMBNFOSA-N 2 0 242.363 1.400 20 0 BDADRP C[NH2+]CCC[N@H+](C)CCC1SCCS1 ZINC000853022694 588716337 /nfs/dbraw/zinc/71/63/37/588716337.db2.gz DKPITWJBKGQGMM-UHFFFAOYSA-N 2 0 234.434 1.724 20 0 BDADRP C[C@@](C[NH3+])([NH2+]CCC1SCCS1)C1CC1 ZINC000853022584 588716455 /nfs/dbraw/zinc/71/64/55/588716455.db2.gz BNDDDWIMJSPIJH-NSHDSACASA-N 2 0 246.445 1.900 20 0 BDADRP CC[C@@H]1C[C@@H](C[NH2+][C@H](C)C[NH2+]C)CCO1 ZINC000853249712 588728913 /nfs/dbraw/zinc/72/89/13/588728913.db2.gz UTDKWYFZFLUKRE-GRYCIOLGSA-N 2 0 214.353 1.389 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CCC12CCOCC2 ZINC000854230805 588780988 /nfs/dbraw/zinc/78/09/88/588780988.db2.gz YZFQJSUZXOGDKN-OLZOCXBDSA-N 2 0 240.391 1.909 20 0 BDADRP [NH3+]C1(C[NH2+][C@H]2CCC23CCOCC3)CCCC1 ZINC000854224403 588780452 /nfs/dbraw/zinc/78/04/52/588780452.db2.gz WADZBGPYGGWLKN-LBPRGKRZSA-N 2 0 238.375 1.807 20 0 BDADRP C[C@@H]1COCC[C@H]1[NH2+]CCCCCC[NH3+] ZINC000843343255 582524222 /nfs/dbraw/zinc/52/42/22/582524222.db2.gz YKFILHBXCXSANC-VXGBXAGGSA-N 2 0 214.353 1.520 20 0 BDADRP CCN1CC[N@H+](CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000891993956 582756356 /nfs/dbraw/zinc/75/63/56/582756356.db2.gz XJCMVOAZVAMDIT-ZDUSSCGKSA-N 2 0 239.407 1.354 20 0 BDADRP C[NH+]1CCC(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)CC1 ZINC000892058683 582778984 /nfs/dbraw/zinc/77/89/84/582778984.db2.gz CPZNOLYYSAOYEN-UONOGXRCSA-N 2 0 237.391 1.012 20 0 BDADRP CO[C@@H]1CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000892069233 582784251 /nfs/dbraw/zinc/78/42/51/582784251.db2.gz GSEHTIRPNADZKN-GFCCVEGCSA-N 2 0 212.337 1.049 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCc3c[nH]nc3C2)CC1 ZINC000892091949 582789539 /nfs/dbraw/zinc/78/95/39/582789539.db2.gz PQHCTZGLIUYUGJ-UHFFFAOYSA-N 2 0 234.347 1.110 20 0 BDADRP CCOC[C@@H]1CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000892178914 582805737 /nfs/dbraw/zinc/80/57/37/582805737.db2.gz DWPAGIZOWFNKBS-CQSZACIVSA-N 2 0 240.391 1.687 20 0 BDADRP Cc1ccc(CC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1C ZINC000892251869 582813529 /nfs/dbraw/zinc/81/35/29/582813529.db2.gz KYOQPZTVJMRHNM-HOTGVXAUSA-N 2 0 244.382 1.997 20 0 BDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])NCC ZINC000848998843 582821314 /nfs/dbraw/zinc/82/13/14/582821314.db2.gz BQUOHRUJQMQHNX-LBPRGKRZSA-N 2 0 240.395 1.775 20 0 BDADRP CC(C)CCNC(=[NH2+])NCC1=CC[N@H+](C)CC1 ZINC000849016917 582827431 /nfs/dbraw/zinc/82/74/31/582827431.db2.gz RKWKQKKFZFNPDR-UHFFFAOYSA-N 2 0 238.379 1.408 20 0 BDADRP CCCCNC(=[NH2+])NCC[C@@H]1CCC[N@H+](C)C1 ZINC000849041748 582839329 /nfs/dbraw/zinc/83/93/29/582839329.db2.gz WKLSEDGEHYDIEN-LBPRGKRZSA-N 2 0 240.395 1.632 20 0 BDADRP CC(C)CNC(=[NH2+])NCC[C@@H]1CCC[N@H+](C)C1 ZINC000849041645 582839341 /nfs/dbraw/zinc/83/93/41/582839341.db2.gz UMCYBJZIDLXCTB-LBPRGKRZSA-N 2 0 240.395 1.488 20 0 BDADRP C[NH+](C)[C@@H]1CCCN(c2cc[nH+]cc2CO)CC1 ZINC000893490515 583153263 /nfs/dbraw/zinc/15/32/63/583153263.db2.gz BXFCOHQWELPMOW-CYBMUJFWSA-N 2 0 249.358 1.494 20 0 BDADRP C[NH+](C)[C@H]1CCCN(c2cc[nH+]cc2CO)CC1 ZINC000893490516 583153282 /nfs/dbraw/zinc/15/32/82/583153282.db2.gz BXFCOHQWELPMOW-ZDUSSCGKSA-N 2 0 249.358 1.494 20 0 BDADRP CN(C)c1cc[nH+]c(NCC2CC[NH+](C)CC2)c1 ZINC000893520102 583156206 /nfs/dbraw/zinc/15/62/06/583156206.db2.gz DJFITWXFDBJVQF-UHFFFAOYSA-N 2 0 248.374 1.901 20 0 BDADRP CN1CC[N@H+](CCCCCCC[NH3+])C(C)(C)C1 ZINC000857087545 588887146 /nfs/dbraw/zinc/88/71/46/588887146.db2.gz UFVKLMRAHLCQHC-UHFFFAOYSA-N 2 0 241.423 1.922 20 0 BDADRP C[C@@H]1C[NH+](CC2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000726844447 583378406 /nfs/dbraw/zinc/37/84/06/583378406.db2.gz PXRJMFMZVWLUNT-VXGBXAGGSA-N 2 0 226.364 1.437 20 0 BDADRP CO[C@H]1CC[N@H+](CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000894252921 583392993 /nfs/dbraw/zinc/39/29/93/583392993.db2.gz CSQMBZATLOXKPT-JSGCOSHPSA-N 2 0 240.391 1.828 20 0 BDADRP CN(CCC[NH+](C)C)Cc1cnn(CCF)c1 ZINC000894450543 583463757 /nfs/dbraw/zinc/46/37/57/583463757.db2.gz WXGQDCSSONYIBU-UHFFFAOYSA-N 2 0 242.342 1.236 20 0 BDADRP CC(=O)OC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000894454881 583464541 /nfs/dbraw/zinc/46/45/41/583464541.db2.gz BJCARHCSKMQFHI-AAEUAGOBSA-N 2 0 242.363 1.258 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CCO)C1 ZINC000894456888 583464910 /nfs/dbraw/zinc/46/49/10/583464910.db2.gz RPLLMDKLBSQFHD-NWDGAFQWSA-N 2 0 214.353 1.077 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CC[C@H]2C2CC2)CC1 ZINC000894690987 583509023 /nfs/dbraw/zinc/50/90/23/583509023.db2.gz WLQWZBYXPVHIEA-ZDUSSCGKSA-N 2 0 208.349 1.813 20 0 BDADRP Cc1cnc(CC[NH2+]CC2CC[NH+](C)CC2)cn1 ZINC000894807393 583523685 /nfs/dbraw/zinc/52/36/85/583523685.db2.gz VJPLBQQNZPPLOT-UHFFFAOYSA-N 2 0 248.374 1.259 20 0 BDADRP CC(C)[C@H]1C[C@@H](C[NH2+]Cc2cnc[nH]2)CCO1 ZINC000894899560 583551323 /nfs/dbraw/zinc/55/13/23/583551323.db2.gz WPEICQFRKKHVLZ-WCQYABFASA-N 2 0 237.347 1.951 20 0 BDADRP Cc1ccnc(N)c1CN(C)C[C@H]1CCC[N@@H+]1C ZINC000895036696 583570403 /nfs/dbraw/zinc/57/04/03/583570403.db2.gz PDXDAAOYOKIGES-GFCCVEGCSA-N 2 0 248.374 1.498 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@H]2CCCc3cn[nH]c32)CC1 ZINC000857852954 588913422 /nfs/dbraw/zinc/91/34/22/588913422.db2.gz HLJUYWIVZRTOMJ-ZDUSSCGKSA-N 2 0 248.374 1.719 20 0 BDADRP CC[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)OC ZINC000895128350 583600122 /nfs/dbraw/zinc/60/01/22/583600122.db2.gz XIQXXIUDIKMWCS-TUAOUCFPSA-N 2 0 242.363 1.258 20 0 BDADRP C[C@@H](COCC1CC1)[NH2+]CC1CC[NH+](C)CC1 ZINC000895169502 583611910 /nfs/dbraw/zinc/61/19/10/583611910.db2.gz JEGJMZMSALCSKM-LBPRGKRZSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H](CC[NH2+]C1CC2(C1)CO[C@H](C)C2)[NH+](C)C ZINC000895429262 583668833 /nfs/dbraw/zinc/66/88/33/583668833.db2.gz LZWXOCKJHHMGEE-IWMBGFJWSA-N 2 0 240.391 1.874 20 0 BDADRP CC(=O)OC[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000895587294 583694464 /nfs/dbraw/zinc/69/44/64/583694464.db2.gz ODQXEUVDJAYESO-AAEUAGOBSA-N 2 0 242.363 1.260 20 0 BDADRP C[C@@H]1[C@H]([NH2+]C[C@@H]2CC2(Cl)Cl)CCN1C ZINC000896554955 583812123 /nfs/dbraw/zinc/81/21/23/583812123.db2.gz WCGCLXQBAVSPME-HRDYMLBCSA-N 2 0 237.174 1.862 20 0 BDADRP C[C@H]1CC[N@H+](CC2CC[NH+](C)CC2)CCO1 ZINC000896577911 583814347 /nfs/dbraw/zinc/81/43/47/583814347.db2.gz DKBQPSPSBZBSKL-LBPRGKRZSA-N 2 0 226.364 1.439 20 0 BDADRP C[NH+](C)C1CC(N[C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000858185758 588937735 /nfs/dbraw/zinc/93/77/35/588937735.db2.gz YDABQVKHUMNRPK-HIFPTAJRSA-N 2 0 239.407 1.541 20 0 BDADRP OCc1cc(NCC[NH+]2CCCCCC2)cc[nH+]1 ZINC000858344736 588947821 /nfs/dbraw/zinc/94/78/21/588947821.db2.gz VKPTWQNWDYVIDC-UHFFFAOYSA-N 2 0 249.358 1.862 20 0 BDADRP C[C@@H](C[NH2+]Cc1ccoc1)N1CC[NH+](C)CC1 ZINC000729683125 584022652 /nfs/dbraw/zinc/02/26/52/584022652.db2.gz HBIONQAHDHQHEX-LBPRGKRZSA-N 2 0 237.347 1.005 20 0 BDADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897819452 584051540 /nfs/dbraw/zinc/05/15/40/584051540.db2.gz SCSIVNUNMSJVIV-CPZGVMOMSA-N 2 0 248.370 1.235 20 0 BDADRP C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(CCO)cc1 ZINC000898171371 584088731 /nfs/dbraw/zinc/08/87/31/584088731.db2.gz WQMHEEJOHWLMED-WFASDCNBSA-N 2 0 248.370 1.261 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@H](O)C2CC2)[C@H](C)C1 ZINC000898202879 584089594 /nfs/dbraw/zinc/08/95/94/584089594.db2.gz DXZDVCZEMIXIGW-XBFCOCLRSA-N 2 0 240.391 1.467 20 0 BDADRP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873257307 584128191 /nfs/dbraw/zinc/12/81/91/584128191.db2.gz RXHCFJXCWMIEFN-HGNGGELXSA-N 2 0 208.309 1.106 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCOC1 ZINC000873265739 584128727 /nfs/dbraw/zinc/12/87/27/584128727.db2.gz XJJMFDZIXMPAIE-XGFWRYKXSA-N 2 0 238.375 1.532 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000873282573 584129040 /nfs/dbraw/zinc/12/90/40/584129040.db2.gz VHHFNJNXFIZUMG-WJTVCTBASA-N 2 0 224.348 1.413 20 0 BDADRP C[C@@H](CCO)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000858490082 588960390 /nfs/dbraw/zinc/96/03/90/588960390.db2.gz AXOUBGPBPJTZEJ-RYUDHWBXSA-N 2 0 214.353 1.079 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H](C)C1CC1 ZINC000899263759 584191040 /nfs/dbraw/zinc/19/10/40/584191040.db2.gz MWUDEOBIUMCXKL-ZYHUDNBSSA-N 2 0 238.379 1.383 20 0 BDADRP [NH3+][C@@H]1Cc2ccc(C=C3C[NH2+]C3)cc2C1 ZINC000899328542 584197733 /nfs/dbraw/zinc/19/77/33/584197733.db2.gz VAVQOTJADTVEGJ-CYBMUJFWSA-N 2 0 200.285 1.099 20 0 BDADRP [NH3+][C@@H](CO)c1ccc(C2=CCC[NH2+]C2)cc1 ZINC000899325340 584197874 /nfs/dbraw/zinc/19/78/74/584197874.db2.gz VAVWFYDTSNYAIE-ZDUSSCGKSA-N 2 0 218.300 1.055 20 0 BDADRP c1c([C@@H]2CCCC[NH2+]2)nnn1CC[NH+]1CCCC1 ZINC000899729953 584230844 /nfs/dbraw/zinc/23/08/44/584230844.db2.gz DSHNVUJNXTVDHI-LBPRGKRZSA-N 2 0 249.362 1.189 20 0 BDADRP [NH3+]C1(c2noc(C34CCC(CC3)[NH2+]4)n2)CCCC1 ZINC000900006670 584264092 /nfs/dbraw/zinc/26/40/92/584264092.db2.gz VIZFGPGYYCRWQB-UHFFFAOYSA-N 2 0 248.330 1.539 20 0 BDADRP CC(C)C[C@@H]([NH3+])Cc1nc([C@@H]2CCC[NH2+]2)no1 ZINC000900010579 584265429 /nfs/dbraw/zinc/26/54/29/584265429.db2.gz UBVIOGJTEMFDTN-ZJUUUORDSA-N 2 0 238.335 1.410 20 0 BDADRP Cc1cc(N2CCC[C@@]23CC[NH2+]C3)cc[nH+]1 ZINC000900453192 584313196 /nfs/dbraw/zinc/31/31/96/584313196.db2.gz YLMINXGXSAFPGQ-ZDUSSCGKSA-N 2 0 217.316 1.722 20 0 BDADRP CC[C@H](C)[C@@H](O)C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902321136 584552064 /nfs/dbraw/zinc/55/20/64/584552064.db2.gz UXISSJKIGLVDCJ-XQQFMLRXSA-N 2 0 242.407 1.761 20 0 BDADRP C[C@@H](C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)C[C@H](C)O ZINC000902326042 584560369 /nfs/dbraw/zinc/56/03/69/584560369.db2.gz BLIZVKMOGBNLRU-AGIUHOORSA-N 2 0 242.407 1.761 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CC2(CO)CC2)C1 ZINC000902335273 584564117 /nfs/dbraw/zinc/56/41/17/584564117.db2.gz UIGNIVSZFPVPJI-NSHDSACASA-N 2 0 226.364 1.127 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCc2cccnc2)C1 ZINC000902337724 584565146 /nfs/dbraw/zinc/56/51/46/584565146.db2.gz SCYSNRHRRMOQPB-AWEZNQCLSA-N 2 0 247.386 1.992 20 0 BDADRP CC(C)OCC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902373417 584566651 /nfs/dbraw/zinc/56/66/51/584566651.db2.gz DLPXSWBTUJLRMG-LBPRGKRZSA-N 2 0 228.380 1.779 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCCCCCO)C1 ZINC000902372815 584566822 /nfs/dbraw/zinc/56/68/22/584566822.db2.gz ZXQRDGNBPQPBBL-CYBMUJFWSA-N 2 0 242.407 1.907 20 0 BDADRP CC[C@@](C)(O)C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902359226 584570524 /nfs/dbraw/zinc/57/05/24/584570524.db2.gz GNTNGQNDZUPLAR-WCQYABFASA-N 2 0 228.380 1.515 20 0 BDADRP [NH3+][C@@H]1C[C@H](NCC2([NH3+])CC2)c2ccccc21 ZINC000902405583 584573448 /nfs/dbraw/zinc/57/34/48/584573448.db2.gz JAYCXBFKDLPZPY-NEPJUHHUSA-N 2 0 217.316 1.212 20 0 BDADRP COC[C@@H]([NH2+]CC1([NH3+])CC1)C1CCCC1 ZINC000902407066 584574092 /nfs/dbraw/zinc/57/40/92/584574092.db2.gz OXLROXYENSRUTB-LLVKDONJSA-N 2 0 212.337 1.273 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCC2(O)CCC2)C1 ZINC000902384381 584577453 /nfs/dbraw/zinc/57/74/53/584577453.db2.gz KOWQAUURHKJKSX-GFCCVEGCSA-N 2 0 240.391 1.659 20 0 BDADRP CC[C@@H](C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)OC ZINC000902388279 584580094 /nfs/dbraw/zinc/58/00/94/584580094.db2.gz OIBUZDCMVQLUJU-NEPJUHHUSA-N 2 0 228.380 1.779 20 0 BDADRP CC[C@H](C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)OC ZINC000902388282 584580129 /nfs/dbraw/zinc/58/01/29/584580129.db2.gz OIBUZDCMVQLUJU-NWDGAFQWSA-N 2 0 228.380 1.779 20 0 BDADRP CC(C)[NH2+]CCCN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902392463 584582778 /nfs/dbraw/zinc/58/27/78/584582778.db2.gz HPKGIXFQFRDGQK-CYBMUJFWSA-N 2 0 241.423 1.742 20 0 BDADRP C[C@@H]1CC[C@@H](N[C@@H]2CC[NH2+]CC(C)(C)C2)C[NH2+]1 ZINC000902398436 584585971 /nfs/dbraw/zinc/58/59/71/584585971.db2.gz PIJKAZGGUBZIRW-JHJVBQTASA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902401760 584587507 /nfs/dbraw/zinc/58/75/07/584587507.db2.gz CXFACHGWTFXQPH-AGIUHOORSA-N 3 0 239.407 1.210 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000902403180 584588484 /nfs/dbraw/zinc/58/84/84/584588484.db2.gz DNPXWJGQMFMNGE-GRYCIOLGSA-N 3 0 225.380 1.092 20 0 BDADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCC1([NH3+])CC1 ZINC000902405550 584589819 /nfs/dbraw/zinc/58/98/19/584589819.db2.gz ITMMYYMLIPCJJR-AAEUAGOBSA-N 2 0 233.359 1.026 20 0 BDADRP CC1(C)C[NH2+]C[C@@H]1N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902441244 584597468 /nfs/dbraw/zinc/59/74/68/584597468.db2.gz CZFQNHLAVNLNGC-RYUDHWBXSA-N 2 0 239.407 1.352 20 0 BDADRP COCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902442040 584597925 /nfs/dbraw/zinc/59/79/25/584597925.db2.gz HJHYOEJLYUIVFJ-YNEHKIRRSA-N 2 0 240.391 1.779 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000902444506 584598906 /nfs/dbraw/zinc/59/89/06/584598906.db2.gz IEWDUYVNOMENOQ-UPUXHGCUSA-N 2 0 226.389 1.882 20 0 BDADRP NOCCC[NH2+][C@@H]1CCN[C@H](c2ccccc2)C1 ZINC000902414994 584600152 /nfs/dbraw/zinc/60/01/52/584600152.db2.gz IVZYNBZPGLAOOU-KGLIPLIRSA-N 2 0 249.358 1.350 20 0 BDADRP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C1CC[NH+](C)CC1 ZINC000902473002 584601037 /nfs/dbraw/zinc/60/10/37/584601037.db2.gz NWSJJXBUOQXJRJ-RUZUBIRVSA-N 3 0 237.391 1.199 20 0 BDADRP C[C@@H](NC[C@H]1CCCCC[NH2+]1)[C@@H]1CCCC[NH2+]1 ZINC000902477729 584603729 /nfs/dbraw/zinc/60/37/29/584603729.db2.gz RIIMISOKJUWBRF-MCIONIFRSA-N 2 0 239.407 1.639 20 0 BDADRP C[C@H](N[C@@H]1C[NH2+]CC1(C)C)c1c[nH+]ccc1N ZINC000902447232 584605028 /nfs/dbraw/zinc/60/50/28/584605028.db2.gz XLYLXDNHIJAUDV-JOYOIKCWSA-N 2 0 234.347 1.143 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1C[NH2+]CC1(C)C ZINC000902448555 584605790 /nfs/dbraw/zinc/60/57/90/584605790.db2.gz GNNAPCYBSNTHML-KGYLQXTDSA-N 2 0 237.391 1.057 20 0 BDADRP C1[C@@H]2[C@H]1[C@@H]1O[C@H]2C[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000902452144 584607341 /nfs/dbraw/zinc/60/73/41/584607341.db2.gz JGPPGJKQNTXEOB-AOACNEEVSA-N 2 0 248.370 1.140 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2nonc2c1 ZINC000902458096 584610082 /nfs/dbraw/zinc/61/00/82/584610082.db2.gz STZFOONBWFTAFH-QWRGUYRKSA-N 2 0 246.314 1.440 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@@H]2CCC[C@H]12)[C@@H]1CCC[NH2+]1 ZINC000902456448 584610259 /nfs/dbraw/zinc/61/02/59/584610259.db2.gz OZEDXLKNYFJKSH-PJSNJIKXSA-N 2 0 208.349 1.905 20 0 BDADRP CC1(C)[C@@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000902460880 584611512 /nfs/dbraw/zinc/61/15/12/584611512.db2.gz JWZKFFMZYWXNIO-XOKHJRTDSA-N 2 0 249.402 1.246 20 0 BDADRP C[C@H]1C[C@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C[N@@H+]1C1CC1 ZINC000902465014 584613088 /nfs/dbraw/zinc/61/30/88/584613088.db2.gz FPECVYALCYHSLE-FFNLUWKOSA-N 2 0 235.375 1.094 20 0 BDADRP C1CC2(C1)CC[C@H]2N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902468795 584615291 /nfs/dbraw/zinc/61/52/91/584615291.db2.gz VQSKVDXURAJQFM-WRWGMCAJSA-N 2 0 206.333 1.802 20 0 BDADRP CC(C)[C@H]1CC[C@@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902470649 584616220 /nfs/dbraw/zinc/61/62/20/584616220.db2.gz ZHLKRBOALATZSU-OBPIAQAESA-N 2 0 208.349 1.904 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C1 ZINC000902491283 584618296 /nfs/dbraw/zinc/61/82/96/584618296.db2.gz WVKUCTKPEGMCDT-FIQHERPVSA-N 3 0 225.380 1.219 20 0 BDADRP C[C@@H](CC1CCOCC1)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902491705 584618437 /nfs/dbraw/zinc/61/84/37/584618437.db2.gz YSJDNBYBTLFWIU-DRZSPHRISA-N 2 0 226.364 1.519 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1csc(N)n1 ZINC000902499276 584620194 /nfs/dbraw/zinc/62/01/94/584620194.db2.gz IWFIEVBMTGHNMN-QMMMGPOBSA-N 2 0 228.365 1.332 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CC[C@H](O)C1CC1 ZINC000902505845 584621689 /nfs/dbraw/zinc/62/16/89/584621689.db2.gz VFMKTVWXUVRPNH-PWSUYJOCSA-N 2 0 214.353 1.255 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CC[C@H](O)C2CC2)C1 ZINC000902506643 584622114 /nfs/dbraw/zinc/62/21/14/584622114.db2.gz ZCZYPDSYOGAYGE-UPJWGTAASA-N 2 0 240.391 1.643 20 0 BDADRP Cc1ncccc1CC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000902512727 584622949 /nfs/dbraw/zinc/62/29/49/584622949.db2.gz IZYYKKBWWRVAAP-KGLIPLIRSA-N 2 0 245.370 1.792 20 0 BDADRP Cc1cc([C@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)n(C)n1 ZINC000902485204 584624897 /nfs/dbraw/zinc/62/48/97/584624897.db2.gz JAYRPGYOSKZXMB-DCAQKATOSA-N 2 0 222.336 1.116 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1NC[C@H]1CCCCC[NH2+]1 ZINC000902484650 584624986 /nfs/dbraw/zinc/62/49/86/584624986.db2.gz XBSLUGYEPQKMHX-XQQFMLRXSA-N 2 0 225.380 1.236 20 0 BDADRP C[C@H](N)[C@@H](Cc1ccccc1)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902486948 584625758 /nfs/dbraw/zinc/62/57/58/584625758.db2.gz HYCHZFHYRJIMTJ-CYUUQNCZSA-N 2 0 247.386 1.272 20 0 BDADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2C[C@H](C[NH3+])C2)CC1 ZINC000902487213 584625838 /nfs/dbraw/zinc/62/58/38/584625838.db2.gz KOGGWVOTMCFUHY-AULYBMBSSA-N 3 0 239.407 1.576 20 0 BDADRP Cc1ncc([C@@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)c(C)n1 ZINC000902488778 584627757 /nfs/dbraw/zinc/62/77/57/584627757.db2.gz NVPKVMZWGGTSNQ-YUSALJHKSA-N 2 0 234.347 1.481 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C/C=C/Cl ZINC000902517486 584629821 /nfs/dbraw/zinc/62/98/21/584629821.db2.gz IIBFQQXOLXYGMA-YEXVBOHQSA-N 2 0 202.729 1.846 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C/C=C/Cl ZINC000902516742 584630105 /nfs/dbraw/zinc/63/01/05/584630105.db2.gz FSJSJOLRBCMPGW-LNQPUUFCSA-N 2 0 218.728 1.081 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000902518513 584630777 /nfs/dbraw/zinc/63/07/77/584630777.db2.gz MCNQTDPLFLDQHN-KCPJHIHWSA-N 2 0 248.370 1.752 20 0 BDADRP CO[C@H]1CCC[C@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000903183780 584733702 /nfs/dbraw/zinc/73/37/02/584733702.db2.gz QOAUOQAZJBSUDK-KGLIPLIRSA-N 2 0 245.326 1.991 20 0 BDADRP CC[C@H]1C[C@@H]([NH2+]Cc2cc(N(C)C)ccn2)CO1 ZINC000903197971 584734951 /nfs/dbraw/zinc/73/49/51/584734951.db2.gz YEIYQZOMNUFVFS-OCCSQVGLSA-N 2 0 249.358 1.805 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)CCN1C ZINC000903266144 584741005 /nfs/dbraw/zinc/74/10/05/584741005.db2.gz UDAZZPVCYSWMMR-CABNGKKXSA-N 2 0 238.375 1.626 20 0 BDADRP C[C@@H]1COC[C@H]1[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000903393340 584756571 /nfs/dbraw/zinc/75/65/71/584756571.db2.gz LILZTPGDSSNKKL-GRYCIOLGSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@H]1COC[C@@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000903397328 584757286 /nfs/dbraw/zinc/75/72/86/584757286.db2.gz WSLNGAPZBBCGBH-FZMZJTMJSA-N 2 0 238.375 1.485 20 0 BDADRP CC[N@H+](C[C@H]1CCOC1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903430823 584761660 /nfs/dbraw/zinc/76/16/60/584761660.db2.gz CXKSJPHGKWQURH-UPJWGTAASA-N 2 0 226.364 1.200 20 0 BDADRP [NH3+]C[C@H]1CCC[N@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000903422341 584764185 /nfs/dbraw/zinc/76/41/85/584764185.db2.gz YZNXESREWWWVGL-WISYIIOYSA-N 2 0 244.329 1.948 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+]([C@@H](C)c2ncccn2)CC1 ZINC000903422435 584764555 /nfs/dbraw/zinc/76/45/55/584764555.db2.gz CPSWBZMWDZLJSN-QWRGUYRKSA-N 2 0 234.347 1.597 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccccn1 ZINC000903458628 584765253 /nfs/dbraw/zinc/76/52/53/584765253.db2.gz FTWFLLLEECIRLO-TUAOUCFPSA-N 2 0 219.332 1.860 20 0 BDADRP CC[C@@H]1C[C@H]1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000903460063 584766909 /nfs/dbraw/zinc/76/69/09/584766909.db2.gz WCJFMCAOUVOTRA-NEPJUHHUSA-N 2 0 208.349 1.860 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000903442699 584768033 /nfs/dbraw/zinc/76/80/33/584768033.db2.gz ZAOJTTXALRSXCZ-AGIUHOORSA-N 2 0 248.374 1.445 20 0 BDADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903451707 584771826 /nfs/dbraw/zinc/77/18/26/584771826.db2.gz CPGIRDBITYMORD-AGIUHOORSA-N 3 0 225.380 1.317 20 0 BDADRP C(C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)OC1CC1 ZINC000903452040 584772142 /nfs/dbraw/zinc/77/21/42/584772142.db2.gz GWZNQKUSGYPOKF-CYBMUJFWSA-N 2 0 238.375 1.487 20 0 BDADRP CC[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@H]1[NH3+] ZINC000903450459 584772226 /nfs/dbraw/zinc/77/22/26/584772226.db2.gz WIKXCGXXXUFBCJ-MROQNXINSA-N 3 0 225.380 1.173 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC(c3ccon3)CC2)C1 ZINC000903464621 584772340 /nfs/dbraw/zinc/77/23/40/584772340.db2.gz UHYLIAURGBZQTH-WCQYABFASA-N 2 0 249.358 1.981 20 0 BDADRP C([C@H]1CCC[NH2+]1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000903453603 584773051 /nfs/dbraw/zinc/77/30/51/584773051.db2.gz DJRHBJIMBRGKOM-BFHYXJOUSA-N 2 0 237.391 1.202 20 0 BDADRP CC[N@@H+]1C[C@H](C)N(C[C@@H]2C[NH2+]C[C@H]2C)C[C@@H]1C ZINC000903454590 584773489 /nfs/dbraw/zinc/77/34/89/584773489.db2.gz DLXACHGKPMZAHA-RFGFWPKPSA-N 2 0 239.407 1.256 20 0 BDADRP C[C@@H]1CCN[C@@H](C)[C@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903454824 584773677 /nfs/dbraw/zinc/77/36/77/584773677.db2.gz KETUXBGZZKQRQW-FHUSYTEZSA-N 2 0 225.380 1.090 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@H]2c2ncc[nH]2)C1 ZINC000903457044 584773879 /nfs/dbraw/zinc/77/38/79/584773879.db2.gz LEIPCGQUZDEVOI-TUAOUCFPSA-N 2 0 234.347 1.674 20 0 BDADRP C(C[C@H]1CCCO1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903471762 584775230 /nfs/dbraw/zinc/77/52/30/584775230.db2.gz MAUYZZGQBYSDMR-NEPJUHHUSA-N 2 0 224.348 1.430 20 0 BDADRP C([NH2+][C@H]1CC[NH2+]C12CCC2)[C@H]1C[C@]12CCOC2 ZINC000903470940 584775441 /nfs/dbraw/zinc/77/54/41/584775441.db2.gz DXZFKHZQLVTVFB-AGIUHOORSA-N 2 0 236.359 1.287 20 0 BDADRP C([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000903472948 584776236 /nfs/dbraw/zinc/77/62/36/584776236.db2.gz XRBQVQGPBUJDSJ-YVECIDJPSA-N 2 0 220.360 1.907 20 0 BDADRP CC1(C)C[C@H](O)C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903476474 584777378 /nfs/dbraw/zinc/77/73/78/584777378.db2.gz XVXBCHYKXDKOPO-WOPDTQHZSA-N 2 0 226.364 1.207 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)C1 ZINC000903481909 584778085 /nfs/dbraw/zinc/77/80/85/584778085.db2.gz QBCYSFAEBUYJEM-DGAVXFQQSA-N 2 0 238.375 1.615 20 0 BDADRP COCC1([N@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)CCC1 ZINC000903482494 584778696 /nfs/dbraw/zinc/77/86/96/584778696.db2.gz JJVGYLKJDNLLPU-NEPJUHHUSA-N 2 0 226.364 1.343 20 0 BDADRP CC1(C)CC[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903730837 584792788 /nfs/dbraw/zinc/79/27/88/584792788.db2.gz ZXGZBPFEPUEUPH-OCCSQVGLSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903727361 584793248 /nfs/dbraw/zinc/79/32/48/584793248.db2.gz SWBSTAGQSPXHFG-JHJVBQTASA-N 2 0 224.348 1.097 20 0 BDADRP CC1([NH3+])CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903745365 584794310 /nfs/dbraw/zinc/79/43/10/584794310.db2.gz DZXCCFBAPTWEPO-LBPRGKRZSA-N 2 0 225.380 1.189 20 0 BDADRP CC1CC(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)C1 ZINC000903748826 584794729 /nfs/dbraw/zinc/79/47/29/584794729.db2.gz BCWUTYQMIGPOCZ-IFWUJCSASA-N 2 0 208.349 1.716 20 0 BDADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC[C@H]1CCCC[NH2+]C1 ZINC000903751622 584795428 /nfs/dbraw/zinc/79/54/28/584795428.db2.gz HQHSZIMISZZWRT-YIYPIFLZSA-N 2 0 239.407 1.352 20 0 BDADRP CCC[C@@H]1C[NH2+]CCN1C[C@@H]1CCCC[NH2+]C1 ZINC000903743345 584796791 /nfs/dbraw/zinc/79/67/91/584796791.db2.gz ISOJMIOBVZFFFR-ZIAGYGMSSA-N 2 0 239.407 1.450 20 0 BDADRP C[N@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)C(C)(C)C ZINC000903764493 584797645 /nfs/dbraw/zinc/79/76/45/584797645.db2.gz SQDUEWUIXQLMCK-LBPRGKRZSA-N 2 0 240.391 1.875 20 0 BDADRP C[N@@H+](CC1=CCCOC1)C[C@H]1CCCC[NH2+]C1 ZINC000903766121 584797651 /nfs/dbraw/zinc/79/76/51/584797651.db2.gz PCILUGOMEFVXEG-ZDUSSCGKSA-N 2 0 238.375 1.655 20 0 BDADRP CC1CC(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)C1 ZINC000903761586 584797655 /nfs/dbraw/zinc/79/76/55/584797655.db2.gz WUKAGLPOAVZZBD-KPFVRQRISA-N 2 0 210.365 1.949 20 0 BDADRP C[N@@H+]1CCN(C[C@@H]2CCCC[NH2+]C2)C(C)(C)C1 ZINC000903769597 584797804 /nfs/dbraw/zinc/79/78/04/584797804.db2.gz KAKQZYGHBJPVSE-CYBMUJFWSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CCN1C[C@@H]1CCCC[NH2+]C1 ZINC000903769165 584797983 /nfs/dbraw/zinc/79/79/83/584797983.db2.gz YWVWVKKMZAEFTG-UPJWGTAASA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@H]1CCN(C[C@@H]2CCCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000903767262 584798055 /nfs/dbraw/zinc/79/80/55/584798055.db2.gz UZOHXGPIMYKMSD-MCIONIFRSA-N 2 0 239.407 1.435 20 0 BDADRP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)[NH+](C1CC1)C1CC1 ZINC000903770854 584798645 /nfs/dbraw/zinc/79/86/45/584798645.db2.gz ZLZSJFBOWTXBMB-ZIAGYGMSSA-N 2 0 236.359 1.382 20 0 BDADRP [NH3+][C@H]1CCCCCN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000903776906 584799428 /nfs/dbraw/zinc/79/94/28/584799428.db2.gz YBBRTHSTTIUXHN-KBPBESRZSA-N 2 0 239.407 1.579 20 0 BDADRP CC1CC(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000903780859 584799708 /nfs/dbraw/zinc/79/97/08/584799708.db2.gz MSZQGNQUGXDUGU-IFWUJCSASA-N 2 0 208.349 1.574 20 0 BDADRP [NH3+]C[C@]12CC[C@@H]1CCCN2CC1CC[NH2+]CC1 ZINC000903796989 584800654 /nfs/dbraw/zinc/80/06/54/584800654.db2.gz ZUDNGSNYDJYVQS-UONOGXRCSA-N 2 0 237.391 1.189 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCCSC[C@@H]1C1CC1 ZINC000903827431 584804881 /nfs/dbraw/zinc/80/48/81/584804881.db2.gz SJKQLFIVSKNMNX-GFCCVEGCSA-N 2 0 228.405 1.813 20 0 BDADRP [NH3+]CCC[N@@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000903831955 584806221 /nfs/dbraw/zinc/80/62/21/584806221.db2.gz OYHMCGODYHQOGU-JTQLQIEISA-N 2 0 225.361 1.356 20 0 BDADRP C[C@H]1CSCCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903831908 584806232 /nfs/dbraw/zinc/80/62/32/584806232.db2.gz NPDDZIPPWNGBTP-TUAOUCFPSA-N 2 0 228.405 1.941 20 0 BDADRP C[C@@H]1CCOCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000903831663 584806267 /nfs/dbraw/zinc/80/62/67/584806267.db2.gz MCMAOULHDKYATA-NEPJUHHUSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CC=CC[C@H]1C ZINC000903850608 584807845 /nfs/dbraw/zinc/80/78/45/584807845.db2.gz VOPIAVUDHUETEA-FVCCEPFGSA-N 2 0 208.349 1.786 20 0 BDADRP C[C@@H]1CC=CC[C@H]1[NH2+]C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000903850059 584808095 /nfs/dbraw/zinc/80/80/95/584808095.db2.gz JLLRSDUWLOTWDU-JHJVBQTASA-N 2 0 236.359 1.309 20 0 BDADRP NC[C@]12CC[C@@H]1CC[N@@H+]2CC1CC=CC1 ZINC000903856619 584808859 /nfs/dbraw/zinc/80/88/59/584808859.db2.gz AOJBSSJUPWXYKE-CHWSQXEVSA-N 2 0 206.333 1.766 20 0 BDADRP NC[C@]12CC[C@@H]1CC[N@@H+]2CCCCCC[NH3+] ZINC000903861428 584812113 /nfs/dbraw/zinc/81/21/13/584812113.db2.gz WWOTYSPEAKZDJG-CHWSQXEVSA-N 2 0 225.380 1.319 20 0 BDADRP CC1CC(C[N@@H+]2CCC[C@]23CC[NH2+]C3)C1 ZINC000903870669 584814636 /nfs/dbraw/zinc/81/46/36/584814636.db2.gz PFQKEXHLADXKJF-WXRRBKDZSA-N 2 0 208.349 1.860 20 0 BDADRP C[NH2+][C@@H]1CCCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903873520 584815688 /nfs/dbraw/zinc/81/56/88/584815688.db2.gz JBGUDXUHZGXGOP-WTUNAVPPSA-N 2 0 237.391 1.201 20 0 BDADRP C[C@@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@@H]1O ZINC000903909295 584821495 /nfs/dbraw/zinc/82/14/95/584821495.db2.gz SVNLAMKSCBTAMS-JWURUJNWSA-N 2 0 238.375 1.220 20 0 BDADRP C[N@H+](CCCCO)Cc1cccc2c1CC[NH2+]C2 ZINC000903911257 584822433 /nfs/dbraw/zinc/82/24/33/584822433.db2.gz ZZSGJCUNOGJGJE-UHFFFAOYSA-N 2 0 248.370 1.537 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](N)CC(F)F ZINC000903918612 584822670 /nfs/dbraw/zinc/82/26/70/584822670.db2.gz CQCGSQJZZWKEQF-RKDXNWHRSA-N 2 0 223.311 1.076 20 0 BDADRP C([NH2+][C@H]1CCCC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918865 584823060 /nfs/dbraw/zinc/82/30/60/584823060.db2.gz JMKTYPBNBRDZHX-GSPSYOTPSA-N 3 0 237.391 1.249 20 0 BDADRP N[C@@H](C[NH2+]CCC[C@H]1CCC[NH2+]1)CC(F)F ZINC000903920971 584823201 /nfs/dbraw/zinc/82/32/01/584823201.db2.gz YXBGYKJQEKBNKF-ZJUUUORDSA-N 2 0 235.322 1.091 20 0 BDADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903919327 584823214 /nfs/dbraw/zinc/82/32/14/584823214.db2.gz MCJUBLHRIKDDNC-RFLLOBDJSA-N 3 0 237.391 1.234 20 0 BDADRP CC[NH+](CC)CCCNC[C@H]([NH3+])CC(F)F ZINC000903925867 584823984 /nfs/dbraw/zinc/82/39/84/584823984.db2.gz IJFOSTDNGDQQNJ-SNVBAGLBSA-N 2 0 237.338 1.290 20 0 BDADRP C1=C[C@H]([NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000903934075 584824805 /nfs/dbraw/zinc/82/48/05/584824805.db2.gz ZPJVQEPYRNJEKY-RYUDHWBXSA-N 2 0 247.346 1.011 20 0 BDADRP [NH3+][C@]12CCC[C@H]1C[N@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903934015 584825041 /nfs/dbraw/zinc/82/50/41/584825041.db2.gz YWCVWBGVZOPFFJ-OEWLLCOZSA-N 2 0 249.402 1.330 20 0 BDADRP C[C@H]1CC[C@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CN1 ZINC000903934421 584825628 /nfs/dbraw/zinc/82/56/28/584825628.db2.gz GUPQGTSLGDGGEW-WYTNZGFTSA-N 2 0 237.391 1.247 20 0 BDADRP C[N@H+](CCCCCC[NH3+])C[C@H](N)CC(F)F ZINC000903937869 584826090 /nfs/dbraw/zinc/82/60/90/584826090.db2.gz SZNJWHSGUHQYQL-SNVBAGLBSA-N 2 0 237.338 1.420 20 0 BDADRP CCCC[C@@H](C[NH3+])NC[C@H]([NH3+])CC(F)F ZINC000903918203 584826786 /nfs/dbraw/zinc/82/67/86/584826786.db2.gz UZVCSEYFHYSDNH-BDAKNGLRSA-N 2 0 223.311 1.076 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC[NH2+]1 ZINC000903953697 584831627 /nfs/dbraw/zinc/83/16/27/584831627.db2.gz JEPSASZRNGYPIY-HTOAHKCRSA-N 2 0 238.375 1.077 20 0 BDADRP CC(C)C[C@H]([NH3+])CNC[C@H]1C[NH2+]CCC1(F)F ZINC000903956097 584831865 /nfs/dbraw/zinc/83/18/65/584831865.db2.gz GVIITCZSORXWHO-MNOVXSKESA-N 2 0 249.349 1.194 20 0 BDADRP CC[C@H](COC)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903978662 584832937 /nfs/dbraw/zinc/83/29/37/584832937.db2.gz JRHMFIJTAPQDOU-IJLUTSLNSA-N 2 0 214.353 1.247 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000903978249 584833021 /nfs/dbraw/zinc/83/30/21/584833021.db2.gz BXRYMSSZEPJSLM-YIYPIFLZSA-N 3 0 239.407 1.210 20 0 BDADRP C[C@@H]1C[N@H+](CC2=CCCOC2)C[C@H]1CC[NH3+] ZINC000903978367 584833285 /nfs/dbraw/zinc/83/32/85/584833285.db2.gz MTNKSDKOYHDJMW-DGCLKSJQSA-N 2 0 224.348 1.250 20 0 BDADRP CCC[NH+]1CCC(NC[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903968413 584834947 /nfs/dbraw/zinc/83/49/47/584834947.db2.gz VMBPOIIFWSOZGE-OLZOCXBDSA-N 2 0 239.407 1.306 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000903987052 584836143 /nfs/dbraw/zinc/83/61/43/584836143.db2.gz XJOWVPCQVNZHSO-ZRJCITRHSA-N 2 0 238.375 1.674 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CN1CCC[NH2+]CC1 ZINC000904299962 584860542 /nfs/dbraw/zinc/86/05/42/584860542.db2.gz SJTGHMABJPCYKS-LBPRGKRZSA-N 2 0 227.396 1.435 20 0 BDADRP C[NH2+]C[C@H]1CCN(C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC000904299626 584860631 /nfs/dbraw/zinc/86/06/31/584860631.db2.gz JXPZPCBQKQBIPM-OLZOCXBDSA-N 2 0 241.423 1.681 20 0 BDADRP C[NH2+]C[C@@H]1CCN(C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC000904299628 584860650 /nfs/dbraw/zinc/86/06/50/584860650.db2.gz JXPZPCBQKQBIPM-STQMWFEESA-N 2 0 241.423 1.681 20 0 BDADRP C[C@@H](C[NH3+])N(C)C[C@@H]([NH3+])CCC(C)(C)C ZINC000904299906 584860738 /nfs/dbraw/zinc/86/07/38/584860738.db2.gz QZRLFHGQLVPOHN-QWRGUYRKSA-N 2 0 215.385 1.419 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC000904299917 584860875 /nfs/dbraw/zinc/86/08/75/584860875.db2.gz RNQZQCQABOMFRU-AWEZNQCLSA-N 3 0 233.359 1.187 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCN(C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904300829 584861067 /nfs/dbraw/zinc/86/10/67/584861067.db2.gz BURZKLFXYDKOCF-XQQFMLRXSA-N 2 0 225.380 1.045 20 0 BDADRP CCC[C@H]1C[NH2+]CCN1Cc1ccc(C[NH3+])cc1 ZINC000904300849 584861304 /nfs/dbraw/zinc/86/13/04/584861304.db2.gz CDCBWZXLFKONHH-HNNXBMFYSA-N 2 0 247.386 1.719 20 0 BDADRP CC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C[C@@H]1CCOC1 ZINC000904309951 584863034 /nfs/dbraw/zinc/86/30/34/584863034.db2.gz TXMGNCVHBJMXCM-SDDRHHMPSA-N 2 0 212.337 1.082 20 0 BDADRP C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C(C1CC1)C1CC1 ZINC000904314234 584863175 /nfs/dbraw/zinc/86/31/75/584863175.db2.gz USBZYNRBJNLGDO-WVSHTKLVSA-N 2 0 208.349 1.844 20 0 BDADRP COc1ccccc1CC[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904318176 584863953 /nfs/dbraw/zinc/86/39/53/584863953.db2.gz NQDYSXQBNLQGGZ-XBXGTLAGSA-N 2 0 248.370 1.907 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000904323737 584864742 /nfs/dbraw/zinc/86/47/42/584864742.db2.gz RPJUPCMVFJHOTN-MCIONIFRSA-N 3 0 237.391 1.141 20 0 BDADRP C[C@@H](O)CC[N@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904322074 584864858 /nfs/dbraw/zinc/86/48/58/584864858.db2.gz NXKWEZGETJTYDP-NEPJUHHUSA-N 2 0 214.353 1.079 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])C[NH2+]C1(CO)CCC1 ZINC000904328447 584865448 /nfs/dbraw/zinc/86/54/48/584865448.db2.gz FARQWHWIHRMSSY-LLVKDONJSA-N 2 0 228.380 1.645 20 0 BDADRP C[NH+]1CCC2(CCC[N@@H+]2C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904342064 584867474 /nfs/dbraw/zinc/86/74/74/584867474.db2.gz WHJHVFJSUUMLRW-BETUJISGSA-N 3 0 237.391 1.284 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)C1 ZINC000904343495 584867689 /nfs/dbraw/zinc/86/76/89/584867689.db2.gz UPIFMSILMBAWOL-LPWJVIDDSA-N 2 0 224.348 1.082 20 0 BDADRP CC1(C)C[N@H+](C[C@@]2(C)CCC[NH2+]C2)C[C@@H]1O ZINC000904346510 584868062 /nfs/dbraw/zinc/86/80/62/584868062.db2.gz SHPQFLCEELKBDV-AAEUAGOBSA-N 2 0 226.364 1.079 20 0 BDADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C[C@]1(C)CCC[NH2+]C1 ZINC000904350203 584868891 /nfs/dbraw/zinc/86/88/91/584868891.db2.gz IGUIDDAXSVJYFC-RWMBFGLXSA-N 2 0 243.370 1.008 20 0 BDADRP CCCC[C@H](C[NH3+])NCc1ccc(C[NH3+])cc1 ZINC000904350095 584868930 /nfs/dbraw/zinc/86/89/30/584868930.db2.gz HWRYNFRFBMEAAT-CQSZACIVSA-N 2 0 235.375 1.752 20 0 BDADRP C[C@H]([NH3+])c1ccc(C[NH2+]C2CC(C[NH3+])C2)cc1 ZINC000904350078 584869005 /nfs/dbraw/zinc/86/90/05/584869005.db2.gz HHEVJGNJOAWLLK-JKDOVBDQSA-N 3 0 233.359 1.533 20 0 BDADRP CN(C[C@@H]([NH3+])CCC(C)(C)C)C1C[NH2+]C1 ZINC000904351468 584869425 /nfs/dbraw/zinc/86/94/25/584869425.db2.gz ZESSHZCDBXOVAE-JTQLQIEISA-N 2 0 213.369 1.044 20 0 BDADRP C[C@@]1(CNCC2([NH3+])CCCCC2)CCC[NH2+]C1 ZINC000904353368 584869698 /nfs/dbraw/zinc/86/96/98/584869698.db2.gz KLOJQGOVXYBNBD-CYBMUJFWSA-N 3 0 239.407 1.627 20 0 BDADRP c1cn(C2CC2)c(CNC[C@@H]2CCC[NH2+]2)n1 ZINC000904352978 584869700 /nfs/dbraw/zinc/86/97/00/584869700.db2.gz FHKILKMGFPGZPT-JTQLQIEISA-N 2 0 220.320 1.060 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CN[C@H]1CCC[NH2+]C1 ZINC000904354070 584870148 /nfs/dbraw/zinc/87/01/48/584870148.db2.gz VSSMANMNBUUSFR-NEPJUHHUSA-N 2 0 227.396 1.482 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CNC[C@@H]1CCCC[NH2+]1 ZINC000904353633 584870223 /nfs/dbraw/zinc/87/02/23/584870223.db2.gz PLPCBILKQNRRPJ-OLZOCXBDSA-N 2 0 241.423 1.872 20 0 BDADRP [NH3+]CCc1ccc(C[NH2+]C2CC(C[NH3+])C2)cc1 ZINC000904353646 584870254 /nfs/dbraw/zinc/87/02/54/584870254.db2.gz PVWAISDSAFYBEM-UHFFFAOYSA-N 3 0 233.359 1.015 20 0 BDADRP [NH3+]Cc1ccc(CNCC2([NH3+])CCCCC2)cc1 ZINC000904353629 584870525 /nfs/dbraw/zinc/87/05/25/584870525.db2.gz PHXHWRHAVIMAEE-UHFFFAOYSA-N 2 0 247.386 1.897 20 0 BDADRP C[C@@]1(C[NH2+]Cc2ccc(C[NH3+])cc2)CCC[NH2+]C1 ZINC000904355293 584870623 /nfs/dbraw/zinc/87/06/23/584870623.db2.gz MGQVDUOSNMZIOY-OAHLLOKOSA-N 3 0 247.386 1.625 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CNCC1([NH3+])CCC1 ZINC000904354942 584870975 /nfs/dbraw/zinc/87/09/75/584870975.db2.gz HKNWTVZUCUXVSZ-LLVKDONJSA-N 2 0 227.396 1.611 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@H]1NC[C@H]([NH3+])CCC(C)(C)C ZINC000904355740 584871416 /nfs/dbraw/zinc/87/14/16/584871416.db2.gz RAKMXRDGJRTCJK-JHJVBQTASA-N 2 0 241.423 1.728 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CNC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000904355477 584871473 /nfs/dbraw/zinc/87/14/73/584871473.db2.gz SEDOPQIOMJLIOI-TUAOUCFPSA-N 2 0 245.386 1.430 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+]CCc2cn3ccccc3n2)C1 ZINC000904367975 584872710 /nfs/dbraw/zinc/87/27/10/584872710.db2.gz LPWMGPUNAWYBIG-TXEJJXNPSA-N 2 0 244.342 1.204 20 0 BDADRP C[C@H]([NH2+]C1CC(C[NH3+])C1)c1cncc(F)c1 ZINC000904371063 584873123 /nfs/dbraw/zinc/87/31/23/584873123.db2.gz IGTNVELHTTUIRC-QTZUAFFRSA-N 2 0 223.295 1.609 20 0 BDADRP CN(CC[NH3+])C[C@@H]([NH3+])CCC(C)(C)C ZINC000904371837 584873468 /nfs/dbraw/zinc/87/34/68/584873468.db2.gz UPBRIQBQMKGHLQ-JTQLQIEISA-N 2 0 201.358 1.031 20 0 BDADRP C[C@H]1CC2(C[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1)CCOCC2 ZINC000904374339 584873597 /nfs/dbraw/zinc/87/35/97/584873597.db2.gz QERSKGMGOONTJZ-RWMBFGLXSA-N 2 0 238.375 1.615 20 0 BDADRP NC[C@H]1c2ccccc2CC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904373054 584873907 /nfs/dbraw/zinc/87/39/07/584873907.db2.gz AJDYULMDXZLKDX-LNSITVRQSA-N 2 0 245.370 1.282 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+]CCc2ccc(F)cc2)C1 ZINC000904363783 584874345 /nfs/dbraw/zinc/87/43/45/584874345.db2.gz CSBZXKHVCDIYDJ-BJHJDKERSA-N 2 0 222.307 1.695 20 0 BDADRP CC(C)(/C=C/Cl)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904388821 584875075 /nfs/dbraw/zinc/87/50/75/584875075.db2.gz OVDBJWPQKSNILO-WTSWQZHKSA-N 2 0 202.729 1.844 20 0 BDADRP Nc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904377306 584876240 /nfs/dbraw/zinc/87/62/40/584876240.db2.gz MTQIVLQWGPBDKB-LJWDBELGSA-N 2 0 231.343 1.583 20 0 BDADRP C[C@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H]1CC[NH3+] ZINC000904376248 584876242 /nfs/dbraw/zinc/87/62/42/584876242.db2.gz NHKARBJZXCDIEV-RVMXOQNASA-N 3 0 225.380 1.173 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(C[NH3+])cc1 ZINC000904376505 584876438 /nfs/dbraw/zinc/87/64/38/584876438.db2.gz UVNDMPQARZSZDY-RISCZKNCSA-N 3 0 233.359 1.457 20 0 BDADRP [NH3+]Cc1ccc(CN2C[C@@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000904380154 584876836 /nfs/dbraw/zinc/87/68/36/584876836.db2.gz JIZUDONORIAXLR-GJZGRUSLSA-N 2 0 245.370 1.459 20 0 BDADRP CC1(F)CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904384973 584877266 /nfs/dbraw/zinc/87/72/66/584877266.db2.gz QHLFLCQFCKHTGK-AOOOYVTPSA-N 2 0 200.301 1.548 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+]C2([C@@H]3CCCCO3)CCC2)C1 ZINC000904384009 584877544 /nfs/dbraw/zinc/87/75/44/584877544.db2.gz GEGFGKAUMAAJTC-XQQFMLRXSA-N 2 0 238.375 1.805 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CN1C[C@@H]([NH3+])C(C)(C)C1 ZINC000904388073 584878159 /nfs/dbraw/zinc/87/81/59/584878159.db2.gz BBSSSHYNKTZLHL-VXGBXAGGSA-N 2 0 241.423 1.809 20 0 BDADRP COc1ccsc1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904406660 584878433 /nfs/dbraw/zinc/87/84/33/584878433.db2.gz UAFUROGTJWPOBL-SNVBAGLBSA-N 2 0 240.372 1.927 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@]2(C)CCC[NH2+]C2)CC[C@@H]1C[NH3+] ZINC000904410603 584879000 /nfs/dbraw/zinc/87/90/00/584879000.db2.gz PPAIRWRQTKHFHN-MCIONIFRSA-N 3 0 239.407 1.293 20 0 BDADRP C[C@@H]1CN(CC[NH2+]C(C)(C)C)CC[C@@H]1C[NH3+] ZINC000904409710 584879161 /nfs/dbraw/zinc/87/91/61/584879161.db2.gz GYGROZOEHHCTPL-VXGBXAGGSA-N 2 0 227.396 1.291 20 0 BDADRP Cc1nn(C)cc1C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000904412177 584879472 /nfs/dbraw/zinc/87/94/72/584879472.db2.gz RUTMRIOKRARMCU-CMPLNLGQSA-N 2 0 236.363 1.145 20 0 BDADRP CCn1nccc1C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000904412339 584879510 /nfs/dbraw/zinc/87/95/10/584879510.db2.gz SXMCVYKXBHSPFP-NEPJUHHUSA-N 2 0 236.363 1.320 20 0 BDADRP CCn1ccnc1C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000904412675 584879635 /nfs/dbraw/zinc/87/96/35/584879635.db2.gz WBSWLOUWKMDOSK-VXGBXAGGSA-N 2 0 236.363 1.320 20 0 BDADRP COC[C@H](C)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000904411318 584879850 /nfs/dbraw/zinc/87/98/50/584879850.db2.gz UMHHBDUGLWBDON-IJLUTSLNSA-N 2 0 214.353 1.186 20 0 BDADRP C[C@@H]1CCN[C@@H](C)[C@@H]1[NH2+]CCCCCCC[NH3+] ZINC000842476776 584897803 /nfs/dbraw/zinc/89/78/03/584897803.db2.gz VKKKLURAHUVXHN-HZSPNIEDSA-N 2 0 241.423 1.872 20 0 BDADRP C[C@@H]1CCC[N@@H+]1CCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000817913699 584991425 /nfs/dbraw/zinc/99/14/25/584991425.db2.gz QUCNESMWVSAIAF-RDBSUJKOSA-N 2 0 239.407 1.720 20 0 BDADRP C[C@H](CCO)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000840810287 585049276 /nfs/dbraw/zinc/04/92/76/585049276.db2.gz QIVCZJHYZGMNOD-VXGBXAGGSA-N 2 0 214.353 1.079 20 0 BDADRP O[C@H](C[N@@H+]1CC[C@@H](Oc2ccncc2)C1)C1CC1 ZINC000838977964 585083885 /nfs/dbraw/zinc/08/38/85/585083885.db2.gz YJFREKBGHWESCH-ZIAGYGMSSA-N 2 0 248.326 1.306 20 0 BDADRP C[NH+](C)C[C@H]1CC[N@H+](CCCCCCCO)C1 ZINC000743847423 585140605 /nfs/dbraw/zinc/14/06/05/585140605.db2.gz CHDVMPHPFSSBPK-CQSZACIVSA-N 2 0 242.407 1.813 20 0 BDADRP CN(CCF)CC[C@H]1CCCC[N@@H+]1C ZINC000759347477 585370754 /nfs/dbraw/zinc/37/07/54/585370754.db2.gz OECQAJHCMVCUBZ-LLVKDONJSA-N 2 0 202.317 1.762 20 0 BDADRP CN(CC[NH+]1CCCC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000760835385 585398607 /nfs/dbraw/zinc/39/86/07/585398607.db2.gz ZNMBHEWLBVHWCU-AWEZNQCLSA-N 2 0 237.391 1.251 20 0 BDADRP Cc1nccn1CCC[NH2+][C@H](CCO)C1CC1 ZINC000763069126 585442827 /nfs/dbraw/zinc/44/28/27/585442827.db2.gz SEGQLNYOXTWANY-CYBMUJFWSA-N 2 0 237.347 1.332 20 0 BDADRP COCC[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000768241253 585534506 /nfs/dbraw/zinc/53/45/06/585534506.db2.gz QPGSZJNCSMEKJV-UHFFFAOYSA-N 2 0 236.359 1.826 20 0 BDADRP C[NH+](C)CC1CC[NH+](C[C@H]2CCC=CO2)CC1 ZINC000774836175 585666931 /nfs/dbraw/zinc/66/69/31/585666931.db2.gz QIXHLUNEYRDPKT-CQSZACIVSA-N 2 0 238.375 1.953 20 0 BDADRP C[C@H](Cc1ccncc1)[NH2+]CC1CC[NH+](C)CC1 ZINC000776724136 585703682 /nfs/dbraw/zinc/70/36/82/585703682.db2.gz YJLLENCNXQGFIB-CYBMUJFWSA-N 2 0 247.386 1.944 20 0 BDADRP C[C@@H](CCO)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000779343791 585752269 /nfs/dbraw/zinc/75/22/69/585752269.db2.gz UBPZKEOHFUMRFF-ZDUSSCGKSA-N 2 0 228.380 1.469 20 0 BDADRP C[C@H](CCO)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000779393287 585753195 /nfs/dbraw/zinc/75/31/95/585753195.db2.gz RDPZRCHTMZVALF-QWHCGFSZSA-N 2 0 228.380 1.469 20 0 BDADRP CC(C)[NH+](CCC[NH2+][C@H](C)CCO)C(C)C ZINC000779399709 585753329 /nfs/dbraw/zinc/75/33/29/585753329.db2.gz OLHZAEZHKYTDHV-CYBMUJFWSA-N 2 0 230.396 1.856 20 0 BDADRP c1ccc2c(c1)CC[C@@H]2C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000780284982 585776978 /nfs/dbraw/zinc/77/69/78/585776978.db2.gz HBAFOMPKTKAWJC-ILXRZTDVSA-N 2 0 242.366 1.868 20 0 BDADRP C[C@H]1CC[C@@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000783213102 585831034 /nfs/dbraw/zinc/83/10/34/585831034.db2.gz UPGNTJCOMFVRBG-JSGCOSHPSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)CCS1 ZINC000788482239 585925401 /nfs/dbraw/zinc/92/54/01/585925401.db2.gz KHGXXTMQUVSPIF-LLVKDONJSA-N 2 0 228.405 1.766 20 0 BDADRP C[C@H](C[S@](C)=O)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000788490083 585925567 /nfs/dbraw/zinc/92/55/67/585925567.db2.gz XEKKSZILXCXXST-BZNIZROVSA-N 2 0 246.420 1.027 20 0 BDADRP C[C@H](C[S@@](C)=O)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000788490082 585925680 /nfs/dbraw/zinc/92/56/80/585925680.db2.gz XEKKSZILXCXXST-BDJLRTHQSA-N 2 0 246.420 1.027 20 0 BDADRP CC[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000788489875 585925707 /nfs/dbraw/zinc/92/57/07/585925707.db2.gz SRVXXAQIEGOFKL-KBPBESRZSA-N 2 0 240.391 1.875 20 0 BDADRP COC1CC(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000859314241 589030158 /nfs/dbraw/zinc/03/01/58/589030158.db2.gz HIJXSLJPRWSZOR-JXQTWKCFSA-N 2 0 238.375 1.439 20 0 BDADRP Nc1ccc(C[NH2+]CCCCCC[NH3+])cn1 ZINC000843126209 586412582 /nfs/dbraw/zinc/41/25/82/586412582.db2.gz CUFWESJBEYWSMA-UHFFFAOYSA-N 2 0 222.336 1.273 20 0 BDADRP C[NH2+][C@@H](C)Cc1noc(-c2cccc(C[NH3+])c2)n1 ZINC000842622009 586569790 /nfs/dbraw/zinc/56/97/90/586569790.db2.gz GTDWFUPCGGOCAO-VIFPVBQESA-N 2 0 246.314 1.346 20 0 BDADRP CC[N@H+](Cc1cccc2nccn21)[C@H](C)CO ZINC000814169692 586614711 /nfs/dbraw/zinc/61/47/11/586614711.db2.gz LVKXRAJMGADBRW-LLVKDONJSA-N 2 0 233.315 1.537 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCSC(F)(F)F ZINC000817888109 586832006 /nfs/dbraw/zinc/83/20/06/586832006.db2.gz ASGFXAGAGKLSME-BQBZGAKWSA-N 2 0 230.299 1.955 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc([C@H](C)O)cc1 ZINC000817893553 586832432 /nfs/dbraw/zinc/83/24/32/586832432.db2.gz GWKQEXWRTKFTCK-SRVKXCTJSA-N 2 0 236.359 1.955 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@H]1COc2ccccc2C1 ZINC000817891887 586832919 /nfs/dbraw/zinc/83/29/19/586832919.db2.gz PFDXWGLHCQMDNS-IACUBPJLSA-N 2 0 246.354 1.707 20 0 BDADRP CCc1cc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])[nH]n1 ZINC000817891565 586833132 /nfs/dbraw/zinc/83/31/32/586833132.db2.gz DFEWCEVRJBJPSO-CABZTGNLSA-N 2 0 222.336 1.189 20 0 BDADRP Cc1ccccc1[C@H](O)C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000817890742 586833326 /nfs/dbraw/zinc/83/33/26/586833326.db2.gz YJKMAVSNRCRCKN-AEGPPILISA-N 2 0 248.370 1.745 20 0 BDADRP Cc1ccccc1[C@H](O)C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000817890744 586833440 /nfs/dbraw/zinc/83/34/40/586833440.db2.gz YJKMAVSNRCRCKN-NWANDNLSSA-N 2 0 248.370 1.745 20 0 BDADRP C[C@H](O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000817894155 586833719 /nfs/dbraw/zinc/83/37/19/586833719.db2.gz KFJUSPMIDRLKEO-NILFDRSVSA-N 2 0 248.370 1.957 20 0 BDADRP CCc1cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])[nH]n1 ZINC000817893355 586834057 /nfs/dbraw/zinc/83/40/57/586834057.db2.gz SFMASUKGUYIHDA-RKDXNWHRSA-N 2 0 210.325 1.188 20 0 BDADRP CSC(C)(C)C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000817898637 586835250 /nfs/dbraw/zinc/83/52/50/586835250.db2.gz IKTDKELPHVPBRW-RKDXNWHRSA-N 2 0 204.383 1.843 20 0 BDADRP CC(C)C[C@H](O)C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000817906029 586836654 /nfs/dbraw/zinc/83/66/54/586836654.db2.gz SFEIRYYYQINATM-AXFHLTTASA-N 2 0 202.342 1.109 20 0 BDADRP CC(C)C[C@H](O)C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000817905124 586836672 /nfs/dbraw/zinc/83/66/72/586836672.db2.gz BLBQBPHBYIMWIB-AVGNSLFASA-N 2 0 228.380 1.643 20 0 BDADRP C[C@H](NCC[N@@H+]1CCC[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000817912349 586837865 /nfs/dbraw/zinc/83/78/65/586837865.db2.gz GJFOLGAYJMAQTG-AVGNSLFASA-N 2 0 225.380 1.201 20 0 BDADRP Cc1cccc([C@H](O)C[NH2+][C@H](C)C[C@@H](C)[NH3+])c1 ZINC000817909972 586838101 /nfs/dbraw/zinc/83/81/01/586838101.db2.gz FSGIDGNKZCWQTF-YRGRVCCFSA-N 2 0 236.359 1.744 20 0 BDADRP C[C@](O)(C[NH2+][C@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000817912141 586838201 /nfs/dbraw/zinc/83/82/01/586838201.db2.gz FOMQOROPPNJEAR-SNPRPXQTSA-N 2 0 248.370 1.611 20 0 BDADRP Cc1cccc([C@H](O)C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000817910548 586838316 /nfs/dbraw/zinc/83/83/16/586838316.db2.gz VUMBNBXUZAIFJW-RBSFLKMASA-N 2 0 248.370 1.745 20 0 BDADRP Cc1ccc([C@H](O)C[NH2+][C@@H](C)CCCC[NH3+])o1 ZINC000817911977 586838625 /nfs/dbraw/zinc/83/86/25/586838625.db2.gz CZGXSEZCINOYGQ-CMPLNLGQSA-N 2 0 240.347 1.729 20 0 BDADRP C[C@H](CN[C@@H]1CCC[C@H]1[NH3+])[NH+]1CCCCC1 ZINC000817914681 586839040 /nfs/dbraw/zinc/83/90/40/586839040.db2.gz XZHMNPLVIGGMNQ-JHJVBQTASA-N 2 0 225.380 1.330 20 0 BDADRP C[C@@H](NCC[N@@H+]1CCC[C@@H]1C)c1c[nH+]ccc1N ZINC000817913304 586839220 /nfs/dbraw/zinc/83/92/20/586839220.db2.gz NLNWRHMZOAMETA-NWDGAFQWSA-N 2 0 248.374 1.629 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NC[C@@H](C)[NH+]1CCCCC1 ZINC000817913898 586839387 /nfs/dbraw/zinc/83/93/87/586839387.db2.gz PZCPYQDQJCSTOA-YNEHKIRRSA-N 2 0 227.396 1.576 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](CCO)C1CC1 ZINC000817918678 586840202 /nfs/dbraw/zinc/84/02/02/586840202.db2.gz MONIXOSCGKDAFT-JQWIXIFHSA-N 2 0 214.353 1.255 20 0 BDADRP C[C@@H]([NH2+]C[C@@]1(O)CCc2ccccc21)C1C[NH2+]C1 ZINC000817918508 586840290 /nfs/dbraw/zinc/84/02/90/586840290.db2.gz VLTXQBJERCJMRY-ABAIWWIYSA-N 2 0 246.354 1.018 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(F)n1 ZINC000817918934 586840580 /nfs/dbraw/zinc/84/05/80/586840580.db2.gz ZSGYROMHFTYVTF-GXSJLCMTSA-N 2 0 223.295 1.438 20 0 BDADRP CC1(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])OCCCO1 ZINC000817926799 586841804 /nfs/dbraw/zinc/84/18/04/586841804.db2.gz WAYQYIHPIWVRLS-NEPJUHHUSA-N 2 0 242.363 1.247 20 0 BDADRP CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817947218 586847061 /nfs/dbraw/zinc/84/70/61/586847061.db2.gz ALGUYMZXLXODMC-RYUDHWBXSA-N 2 0 236.359 1.701 20 0 BDADRP C[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)[C@H]1CCCO1 ZINC000817948984 586847123 /nfs/dbraw/zinc/84/71/23/586847123.db2.gz MXEDJKPCPLLQNZ-IUODEOHRSA-N 2 0 248.370 1.845 20 0 BDADRP C[C@H](NCc1ccc(CC[NH3+])cc1)[C@@H]1CCC[NH2+]1 ZINC000817947563 586847137 /nfs/dbraw/zinc/84/71/37/586847137.db2.gz ATDCCDFTDDRXNR-WFASDCNBSA-N 2 0 247.386 1.418 20 0 BDADRP C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817950448 586847421 /nfs/dbraw/zinc/84/74/21/586847421.db2.gz YINNRKFOTDGSIL-IUODEOHRSA-N 2 0 247.386 1.228 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000817962193 586852446 /nfs/dbraw/zinc/85/24/46/586852446.db2.gz IJCWXLFVRIMWDF-RKDXNWHRSA-N 2 0 227.739 1.980 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC000817961816 586853407 /nfs/dbraw/zinc/85/34/07/586853407.db2.gz CWEUICVUZDGGAY-RKDXNWHRSA-N 2 0 227.739 1.980 20 0 BDADRP COCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000820806019 587073790 /nfs/dbraw/zinc/07/37/90/587073790.db2.gz XQMMUBJXVLIXGD-QXMXGUDHSA-N 2 0 238.375 1.770 20 0 BDADRP C[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCCCN1CCO ZINC000824582982 587278146 /nfs/dbraw/zinc/27/81/46/587278146.db2.gz GLWKDGJMXGTBBE-FRRDWIJNSA-N 2 0 226.364 1.221 20 0 BDADRP C[NH+](C)CCC1CC[NH+](CC[S@](C)=O)CC1 ZINC000827802584 587402927 /nfs/dbraw/zinc/40/29/27/587402927.db2.gz HWWNCHWEZXJRQI-INIZCTEOSA-N 2 0 246.420 1.029 20 0 BDADRP CC(C)[C@@H](CO)[C@@H]([NH2+]Cc1cnc[nH]1)C(C)C ZINC000831663193 587626442 /nfs/dbraw/zinc/62/64/42/587626442.db2.gz DYJWYOKCIAEMNA-OLZOCXBDSA-N 2 0 239.363 1.788 20 0 BDADRP C[NH+](C)CCN(C(=O)CCCCC[NH3+])C1CC1 ZINC000832158398 587646908 /nfs/dbraw/zinc/64/69/08/587646908.db2.gz MKUGCVBKCLRVOU-UHFFFAOYSA-N 2 0 241.379 1.058 20 0 BDADRP C[C@@H]1C[C@@H](NC(=O)CCCCCC[NH3+])CC[NH2+]1 ZINC000834672416 587763537 /nfs/dbraw/zinc/76/35/37/587763537.db2.gz CILSEYCWOVWBPE-NEPJUHHUSA-N 2 0 241.379 1.152 20 0 BDADRP C[C@@H](CCC[NH3+])NC(=O)c1cccc(C[NH3+])c1 ZINC000834813128 587767355 /nfs/dbraw/zinc/76/73/55/587767355.db2.gz FGUDDHXVRMWQGV-JTQLQIEISA-N 2 0 235.331 1.003 20 0 BDADRP [NH3+]CCc1ccc(C[NH2+]C[C@@H]2CCCOC2)cc1 ZINC000841032586 587937293 /nfs/dbraw/zinc/93/72/93/587937293.db2.gz UFOJXDWPHMOOTK-HNNXBMFYSA-N 2 0 248.370 1.704 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841031918 587937361 /nfs/dbraw/zinc/93/73/61/587937361.db2.gz BOSHSYOXLMZGJE-FZMZJTMJSA-N 2 0 234.343 1.455 20 0 BDADRP CC[NH2+]CCN[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000841036700 587937817 /nfs/dbraw/zinc/93/78/17/587937817.db2.gz VWKARXOROYXHMG-GMTAPVOTSA-N 2 0 246.445 1.565 20 0 BDADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000841076941 587944014 /nfs/dbraw/zinc/94/40/14/587944014.db2.gz UHOASAODHHDFAJ-QUARPLMYSA-N 2 0 246.445 1.691 20 0 BDADRP Cc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cn1 ZINC000841080313 587945113 /nfs/dbraw/zinc/94/51/13/587945113.db2.gz RJQXYKKULFLSPP-ZDUSSCGKSA-N 2 0 231.343 1.622 20 0 BDADRP [NH3+]CCC[C@@H]([NH2+][C@H]1CCOC1)c1ccccc1 ZINC000841087195 587945835 /nfs/dbraw/zinc/94/58/35/587945835.db2.gz PNFPDQMRTHLFHC-UONOGXRCSA-N 2 0 234.343 1.845 20 0 BDADRP c1ccc([C@H]2CC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)nc1 ZINC000842476115 588029842 /nfs/dbraw/zinc/02/98/42/588029842.db2.gz HCLJUPBDGYIJEF-KGLIPLIRSA-N 2 0 245.370 1.871 20 0 BDADRP [NH3+]CCCCCc1nc(C2([NH3+])CCC2)no1 ZINC000842615925 588045276 /nfs/dbraw/zinc/04/52/76/588045276.db2.gz AWDVXAXANMIOBH-UHFFFAOYSA-N 2 0 224.308 1.079 20 0 BDADRP N[C@@H](c1nc([C@H]2CCC[NH2+]2)no1)c1ccccc1 ZINC000842644894 588048454 /nfs/dbraw/zinc/04/84/54/588048454.db2.gz IWRFBMCPJIHTNB-GHMZBOCLSA-N 2 0 244.298 1.542 20 0 BDADRP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc3c(c2)COC3)C1 ZINC000843047192 588076354 /nfs/dbraw/zinc/07/63/54/588076354.db2.gz JIHYUQVIHZXCCI-CYBMUJFWSA-N 2 0 246.354 1.888 20 0 BDADRP C[C@@]1(C[NH2+]C[C@@H](O)c2ccsc2)CC[NH2+]C1 ZINC000843125498 588083379 /nfs/dbraw/zinc/08/33/79/588083379.db2.gz AQJVUQJDDZAIJF-VXGBXAGGSA-N 2 0 240.372 1.371 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CCCCCC[NH3+])[C@H](C)C1 ZINC000843126543 588084433 /nfs/dbraw/zinc/08/44/33/588084433.db2.gz IOFGVLJKQOKKAB-KGLIPLIRSA-N 2 0 241.423 1.825 20 0 BDADRP [NH3+]CCc1ccc(CN[C@H]2CCC[NH2+]C2)cc1 ZINC000843125769 588084483 /nfs/dbraw/zinc/08/44/83/588084483.db2.gz HRZWUENNRJTDBP-AWEZNQCLSA-N 2 0 233.359 1.029 20 0 BDADRP CCCn1cc(C[NH2+]CCCCCC[NH3+])cn1 ZINC000843126195 588084507 /nfs/dbraw/zinc/08/45/07/588084507.db2.gz CBZRVGIZMPYDNK-UHFFFAOYSA-N 2 0 238.379 1.902 20 0 BDADRP c1cc2c(cc1N[C@@H]1CCC[NH2+]C1)C[NH2+]CCO2 ZINC000843125718 588084750 /nfs/dbraw/zinc/08/47/50/588084750.db2.gz GCKQAZHPDOTYDV-CYBMUJFWSA-N 2 0 247.342 1.333 20 0 BDADRP [NH3+]CCCCCC[NH2+]CC[C@@H]1CCOC1 ZINC000843127618 588084976 /nfs/dbraw/zinc/08/49/76/588084976.db2.gz FFMOJLMVHRUNJH-GFCCVEGCSA-N 2 0 214.353 1.522 20 0 BDADRP C[C@@H](Cn1cccn1)[NH2+]CCCCCC[NH3+] ZINC000843128348 588085163 /nfs/dbraw/zinc/08/51/63/588085163.db2.gz JEDXGRFFJDXPQO-LBPRGKRZSA-N 2 0 224.352 1.380 20 0 BDADRP Cc1ccncc1C[NH2+]CCCCCC[NH3+] ZINC000843130101 588085664 /nfs/dbraw/zinc/08/56/64/588085664.db2.gz XEICEIYLSFPBNW-UHFFFAOYSA-N 2 0 221.348 1.999 20 0 BDADRP C[C@H]([NH2+]CCCCCC[NH3+])[C@H]1CCCOC1 ZINC000843341273 588100877 /nfs/dbraw/zinc/10/08/77/588100877.db2.gz HZDUXERAFTWSFW-STQMWFEESA-N 2 0 228.380 1.910 20 0 BDADRP [NH3+]CCCCCC[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000843342228 588100886 /nfs/dbraw/zinc/10/08/86/588100886.db2.gz OSIQWDLRCFKVLO-GFCCVEGCSA-N 2 0 236.363 1.896 20 0 BDADRP [NH3+]CCCCCC[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000843342230 588100988 /nfs/dbraw/zinc/10/09/88/588100988.db2.gz OSIQWDLRCFKVLO-LBPRGKRZSA-N 2 0 236.363 1.896 20 0 BDADRP Cc1n[nH]cc1[C@H](C)[NH2+]CCCCCC[NH3+] ZINC000843342698 588101280 /nfs/dbraw/zinc/10/12/80/588101280.db2.gz SGTUJNPGHQLKOV-JTQLQIEISA-N 2 0 224.352 1.888 20 0 BDADRP Cc1n[nH]cc1[C@@H](C)[NH2+]CCCCCC[NH3+] ZINC000843342699 588101355 /nfs/dbraw/zinc/10/13/55/588101355.db2.gz SGTUJNPGHQLKOV-SNVBAGLBSA-N 2 0 224.352 1.888 20 0 BDADRP C[C@@H]([NH2+]CCCCCC[NH3+])c1ccnn1C ZINC000843342422 588101389 /nfs/dbraw/zinc/10/13/89/588101389.db2.gz QMLVVLABFZUZJZ-LLVKDONJSA-N 2 0 224.352 1.590 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](CCCCCCC[NH3+])C1 ZINC000843345973 588102070 /nfs/dbraw/zinc/10/20/70/588102070.db2.gz IJYVJGKTSZEVCN-AWEZNQCLSA-N 3 0 241.423 1.827 20 0 BDADRP CC(C)[C@@](C)(CN)[NH2+]CCCCCCC[NH3+] ZINC000843356494 588103342 /nfs/dbraw/zinc/10/33/42/588103342.db2.gz SGKRMBXDOLFYOZ-CYBMUJFWSA-N 2 0 229.412 1.859 20 0 BDADRP Cc1cccc2c1CC[N@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000843358766 588103832 /nfs/dbraw/zinc/10/38/32/588103832.db2.gz ZGGOZBZPZIIKJF-ZDUSSCGKSA-N 2 0 230.355 1.963 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCCCCCC[NH3+])C1 ZINC000843364528 588104535 /nfs/dbraw/zinc/10/45/35/588104535.db2.gz LMYAGVVSKFQNJB-OLZOCXBDSA-N 3 0 227.396 1.565 20 0 BDADRP [NH3+]CCCCCCC[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000843377996 588105497 /nfs/dbraw/zinc/10/54/97/588105497.db2.gz DCUNERFHIVTLRX-CQSZACIVSA-N 3 0 241.423 1.956 20 0 BDADRP [NH3+]CCCCCCCN1CC[NH2+]C[C@H]1C(F)F ZINC000843385744 588105599 /nfs/dbraw/zinc/10/55/99/588105599.db2.gz QROILXSQZCMPQO-NSHDSACASA-N 2 0 249.349 1.435 20 0 BDADRP [NH3+]CCCCCCCN1CC[NH2+]C[C@@H]1C(F)F ZINC000843385743 588105616 /nfs/dbraw/zinc/10/56/16/588105616.db2.gz QROILXSQZCMPQO-LLVKDONJSA-N 2 0 249.349 1.435 20 0 BDADRP [NH3+][C@@H]1CN(C[C@@H]2CC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000843381037 588105848 /nfs/dbraw/zinc/10/58/48/588105848.db2.gz KAMAACBYFLMWOG-VHDGCEQUSA-N 2 0 245.370 1.023 20 0 BDADRP CC[C@H]1C[N@H+](CCCCCCC[NH3+])CC[C@H]1[NH3+] ZINC000843378081 588105930 /nfs/dbraw/zinc/10/59/30/588105930.db2.gz ZBQDXGJVARFLTL-UONOGXRCSA-N 3 0 241.423 1.955 20 0 BDADRP CC(C)[C@@H](C(=O)NCCCCCC[NH3+])[C@H](C)[NH3+] ZINC000843511990 588117535 /nfs/dbraw/zinc/11/75/35/588117535.db2.gz UDTRYXLXSUWNPT-NWDGAFQWSA-N 2 0 243.395 1.241 20 0 BDADRP C[C@]1(C(=O)NCCCCCC[NH3+])CCC[NH2+]C1 ZINC000843511375 588117557 /nfs/dbraw/zinc/11/75/57/588117557.db2.gz ANXSAODPBZPJBU-ZDUSSCGKSA-N 2 0 241.379 1.011 20 0 BDADRP C[C@H]1CC[NH2+][C@H](C(=O)NCCCCCC[NH3+])C1 ZINC000843512346 588117703 /nfs/dbraw/zinc/11/77/03/588117703.db2.gz ZFSYNXIZHRMKGS-RYUDHWBXSA-N 2 0 241.379 1.010 20 0 BDADRP [NH3+]CCCCCC(=O)NCc1ccc(C[NH3+])cc1 ZINC000843513174 588118289 /nfs/dbraw/zinc/11/82/89/588118289.db2.gz VUYCCKCXADURBQ-UHFFFAOYSA-N 2 0 249.358 1.281 20 0 BDADRP CN(CCC[NH3+])C(=O)CCCC[NH+]1CCCC1 ZINC000844164992 588171355 /nfs/dbraw/zinc/17/13/55/588171355.db2.gz ONDVXLJSEKFHPU-UHFFFAOYSA-N 2 0 241.379 1.060 20 0 BDADRP CCCCCC[N@H+](C)CC(=O)NC(C)(C)C[NH3+] ZINC000844164731 588171746 /nfs/dbraw/zinc/17/17/46/588171746.db2.gz OVVDBMHDXJFRPS-UHFFFAOYSA-N 2 0 243.395 1.352 20 0 BDADRP C[C@@H](CC[NH3+])NC(=O)CCCC[NH+]1CCCC1 ZINC000844193159 588172679 /nfs/dbraw/zinc/17/26/79/588172679.db2.gz KGEBZPCFFSQOGQ-LBPRGKRZSA-N 2 0 241.379 1.106 20 0 BDADRP Cc1ncc(C[NH2+]CCC2(C[NH3+])CC2)s1 ZINC000844901017 588219061 /nfs/dbraw/zinc/21/90/61/588219061.db2.gz DLVJCJAOKBYEOD-UHFFFAOYSA-N 2 0 225.361 1.670 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000846217080 588260251 /nfs/dbraw/zinc/26/02/51/588260251.db2.gz ZEYMZRXRRBAZHZ-GFCCVEGCSA-N 2 0 213.369 1.176 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCCCCC[NH3+])C1 ZINC000846217966 588260473 /nfs/dbraw/zinc/26/04/73/588260473.db2.gz PPGDIKDSEQDOLZ-OLZOCXBDSA-N 2 0 227.396 1.565 20 0 BDADRP CCCN(CCCCCC[NH3+])[C@@H]1CC[NH2+]C1 ZINC000846217201 588260520 /nfs/dbraw/zinc/26/05/20/588260520.db2.gz CNTWCHYLAFRRRV-CYBMUJFWSA-N 2 0 227.396 1.579 20 0 BDADRP [NH3+]CCCCCCN1CC[NH2+]C[C@@H]1C(F)F ZINC000846220540 588261110 /nfs/dbraw/zinc/26/11/10/588261110.db2.gz KAHWHUUYQSMPJO-SNVBAGLBSA-N 2 0 235.322 1.044 20 0 BDADRP CC(C)[C@H]1CN(CCCCCC[NH3+])CC[NH2+]1 ZINC000846220805 588261255 /nfs/dbraw/zinc/26/12/55/588261255.db2.gz VCZIPDLTKVBOLJ-CYBMUJFWSA-N 2 0 227.396 1.435 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000846220534 588261424 /nfs/dbraw/zinc/26/14/24/588261424.db2.gz JYJQCIRHWAMWAC-CQSZACIVSA-N 2 0 239.407 1.581 20 0 BDADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCCCCC[NH3+] ZINC000846708852 588283586 /nfs/dbraw/zinc/28/35/86/588283586.db2.gz WJTOGKXSMYJXMM-RYUDHWBXSA-N 3 0 213.369 1.317 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCCCCCC[NH3+] ZINC000846706852 588283702 /nfs/dbraw/zinc/28/37/02/588283702.db2.gz BPGKIPRMXVCUQM-CHWSQXEVSA-N 3 0 227.396 1.707 20 0 BDADRP Cc1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)nn1 ZINC000848563356 588397456 /nfs/dbraw/zinc/39/74/56/588397456.db2.gz RYVLMSUFNNZMFM-BJHJDKERSA-N 2 0 234.347 1.215 20 0 BDADRP Cc1csc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)n1 ZINC000848563113 588397479 /nfs/dbraw/zinc/39/74/79/588397479.db2.gz OUOCCGCMALRMSN-PHIMTYICSA-N 2 0 239.388 1.881 20 0 BDADRP [NH3+]CCCCCC[NH2+]Cc1ccncc1 ZINC000107778720 588405983 /nfs/dbraw/zinc/40/59/83/588405983.db2.gz QMAFBBNBUGMFHF-UHFFFAOYSA-N 2 0 207.321 1.690 20 0 BDADRP Cc1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000848717268 588407926 /nfs/dbraw/zinc/40/79/26/588407926.db2.gz PUTRIVXEOOFGNB-RRFJBIMHSA-N 2 0 248.370 1.888 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCNc2ccccc2)C1 ZINC000848718597 588408555 /nfs/dbraw/zinc/40/85/55/588408555.db2.gz NRYUAXMVCVVCCH-OCCSQVGLSA-N 2 0 233.359 1.958 20 0 BDADRP Cc1ncc(CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000848719446 588408562 /nfs/dbraw/zinc/40/85/62/588408562.db2.gz FKWKNGFBFNIQQV-MNOVXSKESA-N 2 0 239.388 1.854 20 0 BDADRP CC1CC[NH+](CCCNC(=[NH2+])N2CCC2)CC1 ZINC000848982651 588424431 /nfs/dbraw/zinc/42/44/31/588424431.db2.gz QHWUZDLZUVLRNZ-UHFFFAOYSA-N 2 0 238.379 1.338 20 0 BDADRP CCNC(=[NH2+])NC[C@H](CC(C)C)[NH+](C)C ZINC000848983943 588424975 /nfs/dbraw/zinc/42/49/75/588424975.db2.gz XQTPDHPPJHZZEO-JTQLQIEISA-N 2 0 214.357 1.097 20 0 BDADRP CC[NH+](CC)[C@H](C)CNC(=[NH2+])NC1CCCC1 ZINC000848986534 588425558 /nfs/dbraw/zinc/42/55/58/588425558.db2.gz CRMUQFFRVCNOGW-LLVKDONJSA-N 2 0 240.395 1.773 20 0 BDADRP CNC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000848986510 588425617 /nfs/dbraw/zinc/42/56/17/588425617.db2.gz ZSLPMEPOOHJAQL-LBPRGKRZSA-N 2 0 240.395 1.487 20 0 BDADRP CCN(CC)C(=[NH2+])NCCC[N@H+](C)C(C)C ZINC000848987570 588426295 /nfs/dbraw/zinc/42/62/95/588426295.db2.gz HSUDZTXAILDZFZ-UHFFFAOYSA-N 2 0 228.384 1.583 20 0 BDADRP CCNC(=[NH2+])NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000848987275 588426298 /nfs/dbraw/zinc/42/62/98/588426298.db2.gz WXOMLJACCBEQHJ-GHMZBOCLSA-N 2 0 226.368 1.383 20 0 BDADRP C[C@@H]1CCCC[N@@H+]1CCNC1=[NH+]CCCN1C ZINC000848987478 588426491 /nfs/dbraw/zinc/42/64/91/588426491.db2.gz AFNCGZBYPPCTSC-GFCCVEGCSA-N 2 0 238.379 1.142 20 0 BDADRP CC(C)CCNC(=[NH2+])NCCC[NH2+]C(C)(C)C ZINC000848994020 588428290 /nfs/dbraw/zinc/42/82/90/588428290.db2.gz ICHFHBLICIOGKU-UHFFFAOYSA-N 2 0 242.411 1.925 20 0 BDADRP CCC[NH+](CCC)CCCNC(=[NH2+])N1CCC1 ZINC000848996291 588429084 /nfs/dbraw/zinc/42/90/84/588429084.db2.gz RHSMTMGGLZFJEM-UHFFFAOYSA-N 2 0 240.395 1.729 20 0 BDADRP C[C@H]1CC[N@H+](CCNC(=[NH2+])NC(C)(C)C)C1 ZINC000849004713 588432214 /nfs/dbraw/zinc/43/22/14/588432214.db2.gz WYTMEWWWUMOPIJ-JTQLQIEISA-N 2 0 226.368 1.241 20 0 BDADRP CCCC[N@H+](C)CCNC(=[NH2+])N(C)C1CC1 ZINC000849005804 588432477 /nfs/dbraw/zinc/43/24/77/588432477.db2.gz SHXXIBIHTQLWGS-UHFFFAOYSA-N 2 0 226.368 1.337 20 0 BDADRP CCNC(=[NH2+])NCCC1CC[NH+](CC)CC1 ZINC000849007254 588432881 /nfs/dbraw/zinc/43/28/81/588432881.db2.gz FNZZFYVSTQSAKT-UHFFFAOYSA-N 2 0 226.368 1.242 20 0 BDADRP CC[C@@H](C)NC(=[NH2+])NCC[N@H+](C)C1CCCC1 ZINC000849006313 588433006 /nfs/dbraw/zinc/43/30/06/588433006.db2.gz VUEZPHSPJRFEGW-LLVKDONJSA-N 2 0 240.395 1.773 20 0 BDADRP C[C@@H](CCNC(=[NH2+])N1CCC1)[NH+]1CCCCC1 ZINC000849018430 588437989 /nfs/dbraw/zinc/43/79/89/588437989.db2.gz UNIYTFMIDKQLOL-LBPRGKRZSA-N 2 0 238.379 1.481 20 0 BDADRP C[C@H](CNC(=[NH2+])N1CCC[C@H](C)C1)C[NH+](C)C ZINC000849029998 588442150 /nfs/dbraw/zinc/44/21/50/588442150.db2.gz CFROLKQEWHFILO-NWDGAFQWSA-N 2 0 240.395 1.440 20 0 BDADRP CC[C@H](C)NC(=[NH2+])NC[C@@H](C)C[NH+](C)C ZINC000849030008 588442522 /nfs/dbraw/zinc/44/25/22/588442522.db2.gz CLJOYGKJFYJLMF-ZJUUUORDSA-N 2 0 214.357 1.097 20 0 BDADRP CCCNC(=[NH2+])NCc1ccc2c[nH+]cn2c1 ZINC000849040024 588446993 /nfs/dbraw/zinc/44/69/93/588446993.db2.gz FWCAXXNZXYHEOO-UHFFFAOYSA-N 2 0 231.303 1.358 20 0 BDADRP CCN(CC)C(=[NH2+])NCC[C@@H]1CCC[N@H+](C)C1 ZINC000849040709 588447478 /nfs/dbraw/zinc/44/74/78/588447478.db2.gz CLWQEBMHRJLDOH-LBPRGKRZSA-N 2 0 240.395 1.584 20 0 BDADRP CCCCNC(=[NH2+])NCC[C@H]1CCC[N@H+](C)C1 ZINC000849041747 588448428 /nfs/dbraw/zinc/44/84/28/588448428.db2.gz WKLSEDGEHYDIEN-GFCCVEGCSA-N 2 0 240.395 1.632 20 0 BDADRP CCN(CC)C(=[NH2+])NCCC[N@H+](C)CC(C)C ZINC000849047523 588450859 /nfs/dbraw/zinc/45/08/59/588450859.db2.gz ZXQQTCNASRZAOU-UHFFFAOYSA-N 2 0 242.411 1.830 20 0 BDADRP C[NH+](C)CC1CC[NH+](CCOC(F)F)CC1 ZINC000851728676 588619023 /nfs/dbraw/zinc/61/90/23/588619023.db2.gz RUTMTXOEKGJCIB-UHFFFAOYSA-N 2 0 236.306 1.499 20 0 BDADRP CO[C@H]1CC[C@H]([N@H+](C)CCC[NH+]2CCCC2)C1 ZINC000852009085 588654750 /nfs/dbraw/zinc/65/47/50/588654750.db2.gz YCVPPNRWMYRLAV-KBPBESRZSA-N 2 0 240.391 1.972 20 0 BDADRP COC(=O)C12CC(C1)C[N@@H+]2CCCCCC[NH3+] ZINC000852755179 588700533 /nfs/dbraw/zinc/70/05/33/588700533.db2.gz GEWKQWRJHCRWSC-UHFFFAOYSA-N 2 0 240.347 1.143 20 0 BDADRP CC(C)[C@H]([NH3+])CCNC(=O)CCCCCC[NH3+] ZINC000852868336 588709474 /nfs/dbraw/zinc/70/94/74/588709474.db2.gz QSGVMAVVHRIGJH-GFCCVEGCSA-N 2 0 243.395 1.385 20 0 BDADRP CCCCCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]C ZINC000852921677 588713702 /nfs/dbraw/zinc/71/37/02/588713702.db2.gz QGOSVAVVCPSUSK-LBPRGKRZSA-N 2 0 243.395 1.223 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2CC[NH2+]C23CCC3)CC[NH2+]1 ZINC000863541171 589296895 /nfs/dbraw/zinc/29/68/95/589296895.db2.gz HCKUNURSYAXGHC-UTUOFQBUSA-N 2 0 223.364 1.001 20 0 BDADRP COC(=O)C1=CC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000863541455 589297193 /nfs/dbraw/zinc/29/71/93/589297193.db2.gz IXTBZLVADVWPDR-UTUOFQBUSA-N 2 0 238.331 1.108 20 0 BDADRP NC(=[NH2+])NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000864357990 589355577 /nfs/dbraw/zinc/35/55/77/589355577.db2.gz CNJMFAYMJRVXLI-NSHDSACASA-N 2 0 224.352 1.267 20 0 BDADRP CC(C)C[C@H](CNC(=[NH2+])N[C@@H]1C[C@H]1C)[NH+](C)C ZINC000864450591 589364355 /nfs/dbraw/zinc/36/43/55/589364355.db2.gz RASNDDARIYRRJJ-IJLUTSLNSA-N 2 0 240.395 1.485 20 0 BDADRP C[C@@H]1C[C@H]1NC(=[NH2+])NCCC[NH+]1CCCCC1 ZINC000864450278 589364416 /nfs/dbraw/zinc/36/44/16/589364416.db2.gz JFDBCJFPPKBVBR-VXGBXAGGSA-N 2 0 238.379 1.385 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](CNC(=[NH2+])N[C@H]2C[C@H]2C)C1 ZINC000864455270 589366277 /nfs/dbraw/zinc/36/62/77/589366277.db2.gz LIXWZUDFJMJRGE-WOPDTQHZSA-N 2 0 238.379 1.239 20 0 BDADRP C[NH+](C)CCNc1cc[nH+]cc1C(F)(F)F ZINC000865401403 589433200 /nfs/dbraw/zinc/43/32/00/589433200.db2.gz SROOGWLDPSNHFT-UHFFFAOYSA-N 2 0 233.237 1.496 20 0 BDADRP C[NH2+]C(C)(C)CNc1cc[nH+]cc1C(F)(F)F ZINC000865631080 589452880 /nfs/dbraw/zinc/45/28/80/589452880.db2.gz CHYDZLWRBIARLF-UHFFFAOYSA-N 2 0 247.264 1.932 20 0 BDADRP COC(C)(C)CC[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000866504616 589498163 /nfs/dbraw/zinc/49/81/63/589498163.db2.gz LTMNDTGHOIODMY-AAEUAGOBSA-N 2 0 240.391 1.874 20 0 BDADRP COC[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000866583720 589501660 /nfs/dbraw/zinc/50/16/60/589501660.db2.gz LJNXWAJBIAZWMS-SDDRHHMPSA-N 2 0 212.337 1.047 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc(N)c3)CC[C@@H]21 ZINC000866703717 589513234 /nfs/dbraw/zinc/51/32/34/589513234.db2.gz KTYGXBKQAHCKKH-HIFRSBDPSA-N 2 0 245.370 1.795 20 0 BDADRP C[NH2+]CCCN1c2ccccc2[C@@H]([NH3+])C1(C)C ZINC000866702263 589513598 /nfs/dbraw/zinc/51/35/98/589513598.db2.gz ZFGJPAHJFLCNGS-CYBMUJFWSA-N 2 0 233.359 1.895 20 0 BDADRP C[N@@H+]1CC[C@@H]2CN(CC[C@@H]3CC[NH2+]C3)CC[C@H]21 ZINC000866704476 589513826 /nfs/dbraw/zinc/51/38/26/589513826.db2.gz VQLDGESQWHWNFG-BFHYXJOUSA-N 2 0 237.391 1.012 20 0 BDADRP C1=CCC(C[N@@H+]2CCC[C@H]3[NH2+]CC[C@H]32)C1 ZINC000866724977 589516174 /nfs/dbraw/zinc/51/61/74/589516174.db2.gz QBEBSGWYHNFVGA-CHWSQXEVSA-N 2 0 206.333 1.779 20 0 BDADRP C[C@H](C[NH3+])C(=O)N1c2ccccc2[C@H]([NH3+])C1(C)C ZINC000867988467 589542588 /nfs/dbraw/zinc/54/25/88/589542588.db2.gz MHHMONQKUBNLRX-SKDRFNHKSA-N 2 0 247.342 1.406 20 0 BDADRP C[C@@H]([NH3+])C(=O)N1c2ccccc2[C@H]([NH3+])C1(C)C ZINC000867992154 589542754 /nfs/dbraw/zinc/54/27/54/589542754.db2.gz XSYKGNWYAXKCGX-KCJUWKMLSA-N 2 0 233.315 1.159 20 0 BDADRP CC(C)(C)[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000870892192 589694958 /nfs/dbraw/zinc/69/49/58/589694958.db2.gz PKVPDJAVBGHFCW-GHMZBOCLSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@@H](CCCC[NH3+])NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000870946270 589700435 /nfs/dbraw/zinc/70/04/35/589700435.db2.gz FSHSYJMPSKBUKS-QJPTWQEYSA-N 2 0 241.379 1.138 20 0 BDADRP C[C@H]([NH3+])c1ccc(C(=O)NC[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000870971601 589703255 /nfs/dbraw/zinc/70/32/55/589703255.db2.gz FNZAACWRDWLAAC-KWBADKCTSA-N 2 0 247.342 1.173 20 0 BDADRP [NH3+]C1(c2noc(/C=C\[C@@H]3CCC[NH2+]C3)n2)CCC1 ZINC000871787603 589819404 /nfs/dbraw/zinc/81/94/04/589819404.db2.gz YIHQADZNNCSEIM-LWTINBJPSA-N 2 0 248.330 1.420 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2C[C@H](O)C2)[C@@H]2CCC[C@H]21 ZINC000872127265 589876708 /nfs/dbraw/zinc/87/67/08/589876708.db2.gz RXUAAMCHMLWNBN-HTVCTNPSSA-N 2 0 238.375 1.220 20 0 BDADRP Cc1conc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000872142637 589883104 /nfs/dbraw/zinc/88/31/04/589883104.db2.gz BUGBEBPEJZIGMG-CHWSQXEVSA-N 2 0 249.358 1.805 20 0 BDADRP CC(=O)C1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000872146757 589885017 /nfs/dbraw/zinc/88/50/17/589885017.db2.gz WTJXYHIUXHFHKK-GFCCVEGCSA-N 2 0 224.348 1.287 20 0 BDADRP CCO[C@H](C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1)C1CC1 ZINC000872154823 589885791 /nfs/dbraw/zinc/88/57/91/589885791.db2.gz ZPFOKTGHQYAATG-BFHYXJOUSA-N 2 0 238.375 1.343 20 0 BDADRP C[N@H+](CCCCCC[NH3+])CC[C@H]1CC[NH2+]C1 ZINC000872155192 589886580 /nfs/dbraw/zinc/88/65/80/589886580.db2.gz GOULNFDETAXIMO-CYBMUJFWSA-N 3 0 227.396 1.437 20 0 BDADRP COCC1([N@H+](C)C[C@H]2CC[NH2+]C2)CCC1 ZINC000872157657 589886592 /nfs/dbraw/zinc/88/65/92/589886592.db2.gz PNONJEXPZWMGDG-NSHDSACASA-N 2 0 212.337 1.097 20 0 BDADRP COCC[C@@H](C)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000872253884 589899573 /nfs/dbraw/zinc/89/95/73/589899573.db2.gz LRUMXUDRYJLDON-VXGBXAGGSA-N 2 0 228.380 1.779 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2CCSC2)C1 ZINC000872253168 589900721 /nfs/dbraw/zinc/90/07/21/589900721.db2.gz ZYBDWBSSKOBGQE-QWRGUYRKSA-N 2 0 228.405 1.860 20 0 BDADRP C[C@@H]1C[C@@H](N[C@H]2CC[NH2+]CC(C)(C)C2)CC[NH2+]1 ZINC000872253846 589900945 /nfs/dbraw/zinc/90/09/45/589900945.db2.gz KVJDYYAVXXMNLL-AGIUHOORSA-N 2 0 239.407 1.495 20 0 BDADRP CN(CC(C)(C)[NH3+])C(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872305353 589908290 /nfs/dbraw/zinc/90/82/90/589908290.db2.gz JDFZENXJFLECKQ-MNOVXSKESA-N 2 0 241.379 1.090 20 0 BDADRP C[N@H+]1C[C@H]2CN(c3cc[nH+]cc3C3CC3)C[C@H]2C1 ZINC000872526232 589946887 /nfs/dbraw/zinc/94/68/87/589946887.db2.gz ZOXGNRXIAZKRJM-BETUJISGSA-N 2 0 243.354 1.957 20 0 BDADRP C[C@@H](CC[NH3+])[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000873210878 589995263 /nfs/dbraw/zinc/99/52/63/589995263.db2.gz RFQWWEKRQSIJSN-VIFPVBQESA-N 3 0 239.388 1.221 20 0 BDADRP C[C@H]([NH3+])[C@H](C)NCc1cc2c(s1)CC[NH2+]C2 ZINC000873213436 589997265 /nfs/dbraw/zinc/99/72/65/589997265.db2.gz ZMOODAGUKLPHQY-IUCAKERBSA-N 2 0 239.388 1.219 20 0 BDADRP C[C@H]([NH2+]CC1(F)CC1)C1CC[NH2+]CC1 ZINC000873219653 589998017 /nfs/dbraw/zinc/99/80/17/589998017.db2.gz CHWCUFOUBPWUNR-VIFPVBQESA-N 2 0 200.301 1.466 20 0 BDADRP C[C@]1(C[N@@H+]2C[C@@H](O)CC(C)(C)C2)CC[NH2+]C1 ZINC000873218958 589998832 /nfs/dbraw/zinc/99/88/32/589998832.db2.gz BDXRXYNIDURMTA-AAEUAGOBSA-N 2 0 226.364 1.079 20 0 BDADRP F[C@@H]1CCCC[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000873217937 589998858 /nfs/dbraw/zinc/99/88/58/589998858.db2.gz VHSISHIKZKTVRS-NEPJUHHUSA-N 2 0 214.328 1.856 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)C[C@H]1CCC[NH2+]1)C1CC[NH2+]CC1 ZINC000873220715 589998996 /nfs/dbraw/zinc/99/89/96/589998996.db2.gz SFUUPFBQBZVTCV-OUCADQQQSA-N 3 0 239.407 1.495 20 0 BDADRP [NH3+]CCC[NH2+]C1([C@@H]2CCCCO2)CCC1 ZINC000873224643 590000668 /nfs/dbraw/zinc/00/06/68/590000668.db2.gz DLPTWYFAZWJUAL-NSHDSACASA-N 2 0 212.337 1.417 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+](C)CCCCCC[NH3+])CC[NH2+]1 ZINC000873231432 590002897 /nfs/dbraw/zinc/00/28/97/590002897.db2.gz IUICLOSHEWCZTH-ZIAGYGMSSA-N 3 0 241.423 1.825 20 0 BDADRP CC(C)C[C@H]([NH3+])C[N@H+](C)CCCCCC[NH3+] ZINC000873231621 590003597 /nfs/dbraw/zinc/00/35/97/590003597.db2.gz SQKONVOMLVTHRG-ZDUSSCGKSA-N 3 0 229.412 1.811 20 0 BDADRP CC1(C)CC[C@H](CN[C@@H]2CCC[C@@H]2C[NH3+])[NH2+]C1 ZINC000873234443 590004192 /nfs/dbraw/zinc/00/41/92/590004192.db2.gz FEGALQJHUWAKPN-JHJVBQTASA-N 2 0 239.407 1.482 20 0 BDADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1F ZINC000873239601 590005882 /nfs/dbraw/zinc/00/58/82/590005882.db2.gz YWGYBIBCELVLTF-FPYNETTCSA-N 2 0 244.354 1.609 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000873238656 590005939 /nfs/dbraw/zinc/00/59/39/590005939.db2.gz DOLWXEHWUBXDSY-QQOHENMQSA-N 2 0 238.375 1.517 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cc2n(n1)CCC2 ZINC000873249256 590006442 /nfs/dbraw/zinc/00/64/42/590006442.db2.gz JPZCNWQIGUPONG-GARJFASQSA-N 2 0 234.347 1.217 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CCCS1 ZINC000873243814 590006599 /nfs/dbraw/zinc/00/65/99/590006599.db2.gz NHSGCJDXTHDLHW-GMTAPVOTSA-N 2 0 214.378 1.742 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000873251036 590008668 /nfs/dbraw/zinc/00/86/68/590008668.db2.gz ICLSBLKVLBCXPC-XDQVBPFNSA-N 2 0 238.375 1.519 20 0 BDADRP C[NH+](C)C1CCC([NH2+]C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000873251550 590009031 /nfs/dbraw/zinc/00/90/31/590009031.db2.gz WJPDXBNJSHKMEF-MPEURRAXSA-N 3 0 225.380 1.186 20 0 BDADRP CCn1cc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cn1 ZINC000873254243 590009301 /nfs/dbraw/zinc/00/93/01/590009301.db2.gz OHPDARFZQFBDPD-FOGDFJRCSA-N 2 0 222.336 1.291 20 0 BDADRP CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873268607 590009394 /nfs/dbraw/zinc/00/93/94/590009394.db2.gz XZAZTWUBZISWND-MXWKQRLJSA-N 2 0 214.353 1.388 20 0 BDADRP CCn1cc([C@@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)cn1 ZINC000873256386 590011658 /nfs/dbraw/zinc/01/16/58/590011658.db2.gz OHPDARFZQFBDPD-CKYFFXLPSA-N 2 0 222.336 1.291 20 0 BDADRP C[C@]12C[C@H]1CCC[C@@H]2[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873258680 590012675 /nfs/dbraw/zinc/01/26/75/590012675.db2.gz VCIUDTRZXCPUBV-KVSVUVNWSA-N 2 0 208.349 1.892 20 0 BDADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CCC23CCOCC3)C1 ZINC000873258478 590013143 /nfs/dbraw/zinc/01/31/43/590013143.db2.gz RJIBZQAXOFXWSN-IJLUTSLNSA-N 2 0 224.348 1.273 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cnn(C)c1 ZINC000873260192 590013338 /nfs/dbraw/zinc/01/33/38/590013338.db2.gz VBCWLQYCIMSUAB-MHDGFBEUSA-N 2 0 248.374 1.601 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873261320 590013517 /nfs/dbraw/zinc/01/35/17/590013517.db2.gz NMYGVNCFNNSBEG-HPCHECBXSA-N 3 0 237.391 1.234 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873261350 590013719 /nfs/dbraw/zinc/01/37/19/590013719.db2.gz NMYGVNCFNNSBEG-PDWCTOEPSA-N 3 0 237.391 1.234 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1c2ccccc2CN1C ZINC000873263911 590014909 /nfs/dbraw/zinc/01/49/09/590014909.db2.gz AGQJRUZVYXUPQE-ZOWXZIJZSA-N 2 0 247.386 1.889 20 0 BDADRP CC[C@H]([NH2+][C@H](C)C1CC[NH2+]CC1)[C@@H]1CCOC1 ZINC000873268183 590015337 /nfs/dbraw/zinc/01/53/37/590015337.db2.gz TWAFJNZPEYVLHE-BNOWGMLFSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)[C@@H]1CCOC1 ZINC000873267567 590015579 /nfs/dbraw/zinc/01/55/79/590015579.db2.gz GMTKRPNZYUMFKP-NQBHXWOUSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@H]([NH2+][C@H]1CCn2ccnc21)C1CC[NH2+]CC1 ZINC000873270754 590016357 /nfs/dbraw/zinc/01/63/57/590016357.db2.gz BLNDJECHIZZINU-JQWIXIFHSA-N 2 0 234.347 1.306 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873272084 590016456 /nfs/dbraw/zinc/01/64/56/590016456.db2.gz PLSVNLACQWFQCI-MXWKQRLJSA-N 3 0 213.369 1.090 20 0 BDADRP C[C@H]([NH2+]C1([C@H]2CCCCO2)CCC1)C1C[NH2+]C1 ZINC000873276000 590018013 /nfs/dbraw/zinc/01/80/13/590018013.db2.gz PRAVLRVPEFBFJR-WCQYABFASA-N 2 0 238.375 1.676 20 0 BDADRP COCC(C)(C)CC[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000873281448 590018365 /nfs/dbraw/zinc/01/83/65/590018365.db2.gz JANDEKDVVJLFKB-WDEREUQCSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1CC(C)(C)CO1 ZINC000873281629 590018645 /nfs/dbraw/zinc/01/86/45/590018645.db2.gz NHCCDUQNOZOFRN-JHJVBQTASA-N 2 0 240.391 1.779 20 0 BDADRP CC(C)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291621 590023065 /nfs/dbraw/zinc/02/30/65/590023065.db2.gz LVDULOWBJBTMEF-LLVKDONJSA-N 2 0 212.337 1.143 20 0 BDADRP CCC[C@H](C)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291075 590023359 /nfs/dbraw/zinc/02/33/59/590023359.db2.gz UBHUKYZGDLZLLL-STQMWFEESA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H]([NH2+]Cc1cc(N)cc(F)c1)C1C[NH2+]C1 ZINC000873291847 590023449 /nfs/dbraw/zinc/02/34/49/590023449.db2.gz YMRBDQNGUQSFBW-QMMMGPOBSA-N 2 0 223.295 1.105 20 0 BDADRP Cc1cnccc1NC(=O)C=C[C@H]1CCC[NH2+]C1 ZINC000876753767 590237708 /nfs/dbraw/zinc/23/77/08/590237708.db2.gz OCAPLBRRSBYQDS-QMAVJUDZSA-N 2 0 245.326 1.306 20 0 BDADRP Cc1cnccc1NC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876752859 590238079 /nfs/dbraw/zinc/23/80/79/590238079.db2.gz BEDJOLSBUZSHGQ-ONGXEEELSA-N 2 0 233.315 1.124 20 0 BDADRP [NH3+]CCCCCC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000877180423 590298300 /nfs/dbraw/zinc/29/83/00/590298300.db2.gz VYETWWGWURVUSZ-HAQNSBGRSA-N 2 0 241.379 1.139 20 0 BDADRP CSC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000127280410 590606481 /nfs/dbraw/zinc/60/64/81/590606481.db2.gz OOLGGHSYIAHXEP-HBNTYKKESA-N 2 0 216.394 1.845 20 0 BDADRP C[NH+]1CCC2(CC[N@H+](CCF)C2)CC1 ZINC000878867629 590636321 /nfs/dbraw/zinc/63/63/21/590636321.db2.gz VHKRDMLSDCIILX-UHFFFAOYSA-N 2 0 200.301 1.374 20 0 BDADRP C[C@H](O)CCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580030 590817713 /nfs/dbraw/zinc/81/77/13/590817713.db2.gz DICCNKUPFYANBT-RWMBFGLXSA-N 2 0 226.364 1.173 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](COC)C2)[C@H](C)C1 ZINC000883321108 591616634 /nfs/dbraw/zinc/61/66/34/591616634.db2.gz LNTMBCDWYOQIQA-YIYPIFLZSA-N 2 0 240.391 1.731 20 0 BDADRP Cn1cncc1CC[N@H+](C)C1CCC([NH3+])CC1 ZINC000883417646 591653056 /nfs/dbraw/zinc/65/30/56/591653056.db2.gz IKRDHUJNUKDUFM-UHFFFAOYSA-N 2 0 236.363 1.164 20 0 BDADRP c1n[nH]cc1CC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000883424575 591659170 /nfs/dbraw/zinc/65/91/70/591659170.db2.gz XCPMBWKJIIVCIM-UHFFFAOYSA-N 2 0 234.347 1.028 20 0 BDADRP CC[NH+](CC)[C@H]1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000883423728 591659523 /nfs/dbraw/zinc/65/95/23/591659523.db2.gz TTXUWMIGYFNLSD-AVGNSLFASA-N 2 0 243.370 1.103 20 0 BDADRP C=C/C=C/CC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000883433388 591664675 /nfs/dbraw/zinc/66/46/75/591664675.db2.gz OTOLSKZXMAALFD-ONEGZZNKSA-N 2 0 206.333 1.947 20 0 BDADRP C[NH2+]CCCN1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000883447821 591670937 /nfs/dbraw/zinc/67/09/37/591670937.db2.gz MRSMENSNZJNAEN-ZDUSSCGKSA-N 2 0 248.374 1.202 20 0 BDADRP C(C[N@@H+]1CC[NH2+]CCC12CCC2)[C@H]1CC[NH2+]C1 ZINC000883459069 591674424 /nfs/dbraw/zinc/67/44/24/591674424.db2.gz ITUIARHHTGAVFI-CYBMUJFWSA-N 3 0 237.391 1.204 20 0 BDADRP [NH3+][C@H]1C[C@@H](NCC[NH+]2CCCC2)c2ccccc21 ZINC000131930979 591678466 /nfs/dbraw/zinc/67/84/66/591678466.db2.gz GDKGRTVFQLJSDF-LSDHHAIUSA-N 2 0 245.370 1.817 20 0 BDADRP CC[C@@H](C)[NH+]1CCN(c2cc(C)[nH+]c(N)n2)CC1 ZINC000132876583 591744559 /nfs/dbraw/zinc/74/45/59/591744559.db2.gz DFSMOGKMNKNTEE-LLVKDONJSA-N 2 0 249.362 1.288 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)[C@@H]([NH3+])CC2CC2)cc1 ZINC000884253335 591885747 /nfs/dbraw/zinc/88/57/47/591885747.db2.gz HKLPELALOAIHRS-LBPRGKRZSA-N 2 0 233.315 1.211 20 0 BDADRP Cc1cc(CNC(=O)[C@H]([NH3+])CC2CC2)cc(C)n1 ZINC000884347331 591909252 /nfs/dbraw/zinc/90/92/52/591909252.db2.gz QIYPMCRMPYWGIT-CYBMUJFWSA-N 2 0 247.342 1.442 20 0 BDADRP C[N@H+](CCCCCCC[NH3+])[C@H]1CCOC1 ZINC000134716096 591947319 /nfs/dbraw/zinc/94/73/19/591947319.db2.gz JJEPBAVOJXZHOJ-LBPRGKRZSA-N 2 0 214.353 1.616 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](C/C=C\c2ccccc2)C1 ZINC000219739499 592241366 /nfs/dbraw/zinc/24/13/66/592241366.db2.gz WKJOTVVNGGDGPP-HJHHMULASA-N 2 0 216.328 1.980 20 0 BDADRP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@H]1CC[C@H](C2CC2)O1 ZINC000886829760 592349894 /nfs/dbraw/zinc/34/98/94/592349894.db2.gz GTPCWQMKYFMVQP-MCIONIFRSA-N 2 0 240.391 1.907 20 0 BDADRP C[NH2+]C1CC[NH+](C[C@H]2C[C@]23CCOC3)CC1 ZINC000886827628 592349963 /nfs/dbraw/zinc/34/99/63/592349963.db2.gz OKUSOSPLSYJPKG-YPMHNXCESA-N 2 0 224.348 1.097 20 0 BDADRP [NH3+]CC1CC[NH+](C[C@H]2C[C@]23CCOC3)CC1 ZINC000886827234 592350717 /nfs/dbraw/zinc/35/07/17/592350717.db2.gz HFOOZUFFVWBZRV-OLZOCXBDSA-N 2 0 224.348 1.084 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2C[C@]23CCOC3)CC[C@@H]1[NH3+] ZINC000886829436 592351342 /nfs/dbraw/zinc/35/13/42/592351342.db2.gz AFSBHTZEDXHHDU-VOAKCMCISA-N 2 0 224.348 1.082 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](C[C@H]2C[C@]23CCOC3)C1 ZINC000886828235 592352023 /nfs/dbraw/zinc/35/20/23/592352023.db2.gz ZZIWNHOJTBJRLD-XQQFMLRXSA-N 2 0 224.348 1.084 20 0 BDADRP CC1([NH3+])CC[NH+](C[C@@H]2C[C@]23CCOC3)CC1 ZINC000886834809 592356267 /nfs/dbraw/zinc/35/62/67/592356267.db2.gz CZUHZJVBUHJGJU-AAEUAGOBSA-N 2 0 224.348 1.226 20 0 BDADRP C([C@H]1C[C@]12CCOC2)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000886832968 592356940 /nfs/dbraw/zinc/35/69/40/592356940.db2.gz QRANYWUFSKQWBS-RDBSUJKOSA-N 2 0 236.359 1.098 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@H]1C[C@@]12CCOC2 ZINC000886841715 592363942 /nfs/dbraw/zinc/36/39/42/592363942.db2.gz TVQMDUWZBKQYKD-FDYHWXHSSA-N 2 0 224.348 1.225 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886859840 592372779 /nfs/dbraw/zinc/37/27/79/592372779.db2.gz HDGVUBVSASBEGR-UONOGXRCSA-N 2 0 238.375 1.487 20 0 BDADRP C([C@@H]1CC[NH2+]C1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886865848 592373990 /nfs/dbraw/zinc/37/39/90/592373990.db2.gz WJDTUESFLMHZHP-ZIAGYGMSSA-N 2 0 237.391 1.062 20 0 BDADRP c1cnn(CC[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000886872591 592377224 /nfs/dbraw/zinc/37/72/24/592377224.db2.gz WIMJDFOCOZMQDO-AWEZNQCLSA-N 2 0 248.374 1.349 20 0 BDADRP CC[C@H](O)C[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887133076 592448544 /nfs/dbraw/zinc/44/85/44/592448544.db2.gz SSEAZDWVQVJRAU-OCCSQVGLSA-N 2 0 249.358 1.363 20 0 BDADRP COCCC[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887130299 592449184 /nfs/dbraw/zinc/44/91/84/592449184.db2.gz BBMVVXDMCFSACK-CYBMUJFWSA-N 2 0 249.358 1.629 20 0 BDADRP COC[C@@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887132862 592449912 /nfs/dbraw/zinc/44/99/12/592449912.db2.gz OTEFBLZVQZEAIV-QWHCGFSZSA-N 2 0 249.358 1.627 20 0 BDADRP CC(C)CNC(=[NH2+])NCCC[N@H+](C)C(C)C ZINC000221874908 592454957 /nfs/dbraw/zinc/45/49/57/592454957.db2.gz CCADUENSANNBAW-UHFFFAOYSA-N 2 0 228.384 1.487 20 0 BDADRP C[C@@H]1CCCC[N@@H+]1CCNC(=[NH2+])NCC1CC1 ZINC000887348734 592484738 /nfs/dbraw/zinc/48/47/38/592484738.db2.gz UUOHGFVOPOWLSW-LLVKDONJSA-N 2 0 238.379 1.385 20 0 BDADRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])NCC(F)F)C1 ZINC000887351035 592485345 /nfs/dbraw/zinc/48/53/45/592485345.db2.gz DIHADIGWCFCTSF-VIFPVBQESA-N 2 0 248.321 1.097 20 0 BDADRP C[N@H+](CCCCNC(=[NH2+])NCC1CC1)C1CC1 ZINC000887361720 592490824 /nfs/dbraw/zinc/49/08/24/592490824.db2.gz HPOFXQLCKGPLJQ-UHFFFAOYSA-N 2 0 238.379 1.385 20 0 BDADRP C[N@@H+]1CCC[C@H](CCNC(=[NH2+])NCC2CC2)C1 ZINC000887361601 592490830 /nfs/dbraw/zinc/49/08/30/592490830.db2.gz BVNCFKFAFFHBAE-GFCCVEGCSA-N 2 0 238.379 1.242 20 0 BDADRP OCCCCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300414537 592511945 /nfs/dbraw/zinc/51/19/45/592511945.db2.gz LWHDFAATPMXIRW-KGLIPLIRSA-N 2 0 240.391 1.756 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925704288 634384189 /nfs/dbraw/zinc/38/41/89/634384189.db2.gz FQHFFUZFLDUYKG-WFQJECDVSA-N 3 0 237.391 1.090 20 0 BDADRP C[C@@H]([NH3+])[C@H](NCCC[NH2+]C1CC1)c1ccccc1 ZINC000925704290 634384699 /nfs/dbraw/zinc/38/46/99/634384699.db2.gz FZXCLAAUOYNRHC-DOMZBBRYSA-N 2 0 247.386 1.807 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000925706617 634391625 /nfs/dbraw/zinc/39/16/25/634391625.db2.gz NPXKVJGRHIQKAK-RWMBFGLXSA-N 2 0 237.391 1.391 20 0 BDADRP C[C@H]([NH3+])[C@H](C)N[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925707539 634396272 /nfs/dbraw/zinc/39/62/72/634396272.db2.gz LBWPGZUJPSXJHQ-SVNGYHJRSA-N 2 0 225.380 1.088 20 0 BDADRP CC[C@@H](O)C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925709811 634406686 /nfs/dbraw/zinc/40/66/86/634406686.db2.gz OQPLAMRGBRNYTO-OUAUKWLOSA-N 2 0 214.353 1.253 20 0 BDADRP CC(C)C[N@H+](C)CCCN[C@@H]1CCC[NH2+][C@@H]1C ZINC000925709361 634406980 /nfs/dbraw/zinc/40/69/80/634406980.db2.gz IPUSJOQDIYVWIV-ZIAGYGMSSA-N 2 0 241.423 1.694 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H](c1ccccc1)[C@H](C)N ZINC000925710598 634407373 /nfs/dbraw/zinc/40/73/73/634407373.db2.gz QHLULAHMINSWSZ-MBNYWOFBSA-N 2 0 235.375 1.792 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925712925 634416576 /nfs/dbraw/zinc/41/65/76/634416576.db2.gz VZZNEVGAUXXHEK-RYUDHWBXSA-N 3 0 225.380 1.378 20 0 BDADRP [NH3+]CCCCCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925714180 634420392 /nfs/dbraw/zinc/42/03/92/634420392.db2.gz WJEJSTRKPSSMAN-RYUDHWBXSA-N 3 0 225.380 1.365 20 0 BDADRP C([C@H]1CCCCO1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000257698645 634474020 /nfs/dbraw/zinc/47/40/20/634474020.db2.gz PMDYMWDTDGMGFZ-ZIAGYGMSSA-N 2 0 238.375 1.774 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)C1CC[NH2+]CC1 ZINC000925728257 634527948 /nfs/dbraw/zinc/52/79/48/634527948.db2.gz KFAALEJMKGBONB-WCFLWFBJSA-N 3 0 237.391 1.234 20 0 BDADRP CCOC(=O)[C@H]1CCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000220902038 635398251 /nfs/dbraw/zinc/39/82/51/635398251.db2.gz PTYKBYOKEQSSJU-GRYCIOLGSA-N 2 0 240.347 1.141 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000925831833 635467744 /nfs/dbraw/zinc/46/77/44/635467744.db2.gz MDCOLXWNEYWBBO-QCLAVDOMSA-N 2 0 236.281 1.772 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCS[C@H](C)C1)C1C[NH2+]C1 ZINC000925857591 635549671 /nfs/dbraw/zinc/54/96/71/635549671.db2.gz HNTAKWVAQSDMKE-KKZNHRDASA-N 2 0 214.378 1.468 20 0 BDADRP CCCC[C@@H](COC)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925875246 635597363 /nfs/dbraw/zinc/59/73/63/635597363.db2.gz DNKVUSHISDDWCI-AGIUHOORSA-N 2 0 228.380 1.909 20 0 BDADRP Cc1ccc(NCC[NH2+][C@@H]2CCC[NH2+]CC2)nc1 ZINC000925877683 635601151 /nfs/dbraw/zinc/60/11/51/635601151.db2.gz LZGSXDOSGXRNRM-CYBMUJFWSA-N 2 0 248.374 1.534 20 0 BDADRP CC(C)[N@H+](C)CC(=O)N(C)C1CCC([NH3+])CC1 ZINC000236647718 635605185 /nfs/dbraw/zinc/60/51/85/635605185.db2.gz GGQOLNAUHKQCRW-UHFFFAOYSA-N 2 0 241.379 1.055 20 0 BDADRP Cc1ccc(NCC[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)nc1 ZINC000925878006 635605456 /nfs/dbraw/zinc/60/54/56/635605456.db2.gz OQIILEGTYDBHQX-QWHCGFSZSA-N 2 0 248.374 1.390 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cccc(CO)c1 ZINC000925881792 635611158 /nfs/dbraw/zinc/61/11/58/635611158.db2.gz GTPNALCFTPYGAQ-ZOWXZIJZSA-N 2 0 248.370 1.957 20 0 BDADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C1(C)C ZINC000925882496 635611330 /nfs/dbraw/zinc/61/13/30/635611330.db2.gz NHQDHSOJQMVYPJ-UJPOAAIJSA-N 2 0 240.391 1.763 20 0 BDADRP CCc1ccccc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090320188 631245492 /nfs/dbraw/zinc/24/54/92/631245492.db2.gz HFKLCAXQUCNCKX-HUUCEWRRSA-N 2 0 230.355 1.900 20 0 BDADRP c1ccc2c(c1)CC[C@@H]2[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090319963 631246325 /nfs/dbraw/zinc/24/63/25/631246325.db2.gz PDMSULQHSGZRPK-NFAWXSAZSA-N 2 0 228.339 1.825 20 0 BDADRP C[C@H]1COCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000891695998 631451908 /nfs/dbraw/zinc/45/19/08/631451908.db2.gz GZFXVLFEKLEABJ-NSHDSACASA-N 2 0 212.337 1.049 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C[NH+](C)C ZINC000308957428 631753712 /nfs/dbraw/zinc/75/37/12/631753712.db2.gz ZQEFCAFWKBNHEK-FVCCEPFGSA-N 2 0 210.365 1.962 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+](C)[C@@H]2CCSC2)CC[NH2+]1 ZINC000235366680 632027409 /nfs/dbraw/zinc/02/74/09/632027409.db2.gz CDCPFULDZKEZAO-IJLUTSLNSA-N 2 0 228.405 1.812 20 0 BDADRP [NH3+]C1CCC([NH2+]C[C@H]2CCSC2)CC1 ZINC000224413276 632039601 /nfs/dbraw/zinc/03/96/01/632039601.db2.gz YIEOJSPFAWQHPI-KPPDAEKUSA-N 2 0 214.378 1.599 20 0 BDADRP CCNC(=[NH2+])NCC[NH+](C(C)C)C(C)C ZINC000052040829 632050861 /nfs/dbraw/zinc/05/08/61/632050861.db2.gz VGEHKKSEPXXFOU-UHFFFAOYSA-N 2 0 214.357 1.239 20 0 BDADRP C[NH+](C)C(C)(C)CNC(=[NH2+])NC1CCCCC1 ZINC000052048757 632055958 /nfs/dbraw/zinc/05/59/58/632055958.db2.gz CQPPDOIQUDLGEV-UHFFFAOYSA-N 2 0 240.395 1.773 20 0 BDADRP C[NH+](C)CC1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091544812 632069517 /nfs/dbraw/zinc/06/95/17/632069517.db2.gz PWTLBZKIEQNHRI-KGLIPLIRSA-N 3 0 239.407 1.387 20 0 BDADRP C[N@H+](C[C@H]1CCC[C@H]1O)CC1CC[NH+](C)CC1 ZINC000250578378 635700310 /nfs/dbraw/zinc/70/03/10/635700310.db2.gz FRDWKSYMCRMFLQ-ZIAGYGMSSA-N 2 0 240.391 1.421 20 0 BDADRP COC[C@@H](C)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000252090248 632438485 /nfs/dbraw/zinc/43/84/85/632438485.db2.gz DNBYOIAVILFMKG-CHWSQXEVSA-N 2 0 228.380 1.875 20 0 BDADRP CC[C@H]1COC[C@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000926558579 632525829 /nfs/dbraw/zinc/52/58/29/632525829.db2.gz JMYVUQYYIAFKIH-GXTWGEPZSA-N 2 0 240.391 1.875 20 0 BDADRP CCO[C@H]1CCC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000219762505 632566831 /nfs/dbraw/zinc/56/68/31/632566831.db2.gz FXVFGHRGBONARJ-KBPBESRZSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@@]1(C[NH2+]C[C@H]([NH3+])CC(F)F)CCCO1 ZINC000309044877 632624813 /nfs/dbraw/zinc/62/48/13/632624813.db2.gz MKLPPAHONNQFJN-SCZZXKLOSA-N 2 0 222.279 1.128 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccncc1 ZINC000089144657 632657051 /nfs/dbraw/zinc/65/70/51/632657051.db2.gz KJNIISBKSSUVTB-KBPBESRZSA-N 2 0 233.359 1.731 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)C[C@@H]1CCOC1)C[NH+](C)C ZINC000309746006 632664383 /nfs/dbraw/zinc/66/43/83/632664383.db2.gz JDOGKEOYIYTMEH-AGIUHOORSA-N 2 0 228.380 1.589 20 0 BDADRP CC(C)CNC(=[NH2+])NCC(C)(C)[NH+](C)C ZINC000052044956 632782404 /nfs/dbraw/zinc/78/24/04/632782404.db2.gz CJDPTZUBTHWINC-UHFFFAOYSA-N 2 0 214.357 1.097 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000235707255 632818299 /nfs/dbraw/zinc/81/82/99/632818299.db2.gz PCDQAZNZUQFFBE-NWDGAFQWSA-N 2 0 212.337 1.226 20 0 BDADRP C[C@H]1COC[C@H]1[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000924608087 633238567 /nfs/dbraw/zinc/23/85/67/633238567.db2.gz VUJQWWDXUJYZPW-SWLSCSKDSA-N 2 0 248.370 1.873 20 0 BDADRP CCC[C@H](C)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328423284 633764143 /nfs/dbraw/zinc/76/41/43/633764143.db2.gz KQBNTMHDPNSVPN-ASHHDVGLSA-N 2 0 208.349 1.761 20 0 BDADRP C([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)[C@@H]1CCCS1 ZINC000328460459 633766824 /nfs/dbraw/zinc/76/68/24/633766824.db2.gz UHFZPZZTPVNAMU-MCDVFOBDSA-N 2 0 238.400 1.468 20 0 BDADRP CC(C)CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328566340 633775542 /nfs/dbraw/zinc/77/55/42/633775542.db2.gz MPWDMFWMNTUFHI-JZRPKSSGSA-N 2 0 208.349 1.619 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](CCC(C)(C)O)C[C@@H]2C1 ZINC000309343215 633899274 /nfs/dbraw/zinc/89/92/74/633899274.db2.gz LOIRKRXQTFNCIF-NEPJUHHUSA-N 2 0 226.364 1.031 20 0 BDADRP C[C@H](CCCO)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925548034 633987980 /nfs/dbraw/zinc/98/79/80/633987980.db2.gz FSSSWIQLFBIXIQ-UTUOFQBUSA-N 2 0 228.380 1.643 20 0 BDADRP C[C@H]([NH2+]CCC1(O)CCC1)C1CC[NH+](C)CC1 ZINC000396472230 634041158 /nfs/dbraw/zinc/04/11/58/634041158.db2.gz YMBYKVJFUISSQK-LBPRGKRZSA-N 2 0 240.391 1.611 20 0 BDADRP CN(C[C@@H]([NH3+])CC(F)F)CC1([NH+](C)C)CCC1 ZINC000310338455 634128529 /nfs/dbraw/zinc/12/85/29/634128529.db2.gz CDQYVUWOFQALKZ-JTQLQIEISA-N 2 0 249.349 1.385 20 0 BDADRP C[C@@H](CCO)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925614371 634155973 /nfs/dbraw/zinc/15/59/73/634155973.db2.gz XZGHVCJBXAVIFY-GXTWGEPZSA-N 2 0 236.359 1.827 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1C=C[C@H](CO)C1)[NH2+]2 ZINC000925616614 634163818 /nfs/dbraw/zinc/16/38/18/634163818.db2.gz SGJSXOPLDXDHHP-WZBKEBKWSA-N 2 0 236.359 1.042 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCc3c[nH]nc3C2)C12CCC2 ZINC000925616605 634164574 /nfs/dbraw/zinc/16/45/74/634164574.db2.gz SFNANMGOXGSCJA-RTXFEEFZSA-N 2 0 246.358 1.127 20 0 BDADRP CC[C@H](CCO)[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925621240 634179736 /nfs/dbraw/zinc/17/97/36/634179736.db2.gz CYCSPZXMKLWGHC-NEPJUHHUSA-N 2 0 226.364 1.412 20 0 BDADRP CC(C)(O)CC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925645840 634201029 /nfs/dbraw/zinc/20/10/29/634201029.db2.gz SHISAMMJEORCLZ-WDEREUQCSA-N 2 0 228.380 1.643 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CC2(CO)CCC2)C1 ZINC000925648335 634203455 /nfs/dbraw/zinc/20/34/55/634203455.db2.gz SWYVVLPEPVFJSZ-VXGBXAGGSA-N 2 0 240.391 1.645 20 0 BDADRP C[C@H](O)CCC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925658409 634221847 /nfs/dbraw/zinc/22/18/47/634221847.db2.gz TUOBVOJEZJBXPD-SDDRHHMPSA-N 2 0 228.380 1.643 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCC2(O)CCC2)C1 ZINC000925666681 634243389 /nfs/dbraw/zinc/24/33/89/634243389.db2.gz VJBJRIAXDZBZDQ-VXGBXAGGSA-N 2 0 240.391 1.787 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)N[C@H]1CCC[NH2+][C@@H]1C ZINC000925676491 634265054 /nfs/dbraw/zinc/26/50/54/634265054.db2.gz MQERRNAVSQKQCI-MJBXVCDLSA-N 2 0 241.423 1.837 20 0 BDADRP C[C@H]1OCC[C@H]1[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925676357 634265750 /nfs/dbraw/zinc/26/57/50/634265750.db2.gz ZXFCVDASATWSRD-WRWGMCAJSA-N 2 0 226.364 1.659 20 0 BDADRP C[C@H](Cc1cnn(C)c1)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925687565 634304761 /nfs/dbraw/zinc/30/47/61/634304761.db2.gz CUPWYYZDVVGERO-RAIGVLPGSA-N 2 0 248.374 1.211 20 0 BDADRP CC[NH2+]CCCN[C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925689832 634307892 /nfs/dbraw/zinc/30/78/92/634307892.db2.gz ISTSMJQIBITGIH-JSGCOSHPSA-N 2 0 235.375 1.664 20 0 BDADRP [NH3+]CCC[C@@H](NCC[NH3+])c1ccccc1 ZINC000925689739 634310177 /nfs/dbraw/zinc/31/01/77/634310177.db2.gz IGHKXXIEZNTTDX-GFCCVEGCSA-N 2 0 207.321 1.015 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC1(CO)CC1 ZINC000925690889 634314064 /nfs/dbraw/zinc/31/40/64/634314064.db2.gz LQHFRGBEESGQBW-MPEURRAXSA-N 2 0 238.375 1.255 20 0 BDADRP OCC1(CC[NH2+][C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925690926 634315642 /nfs/dbraw/zinc/31/56/42/634315642.db2.gz MBAADXWJBNKZBU-LBPRGKRZSA-N 2 0 238.375 1.413 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@@H]1CCC[C@H](CO)C1 ZINC000925691144 634316306 /nfs/dbraw/zinc/31/63/06/634316306.db2.gz LWIRFUBRPBOIBO-TUAOUCFPSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1NCC1([NH3+])CCCCC1 ZINC000925692018 634321710 /nfs/dbraw/zinc/32/17/10/634321710.db2.gz NZTUGTQEVKRXNC-RYUDHWBXSA-N 2 0 225.380 1.378 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@H](NC2CC[NH2+]CC2)C1 ZINC000925691981 634322729 /nfs/dbraw/zinc/32/27/29/634322729.db2.gz NXGSRWIBYKYLNS-JQWIXIFHSA-N 2 0 225.380 1.234 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925693076 634327045 /nfs/dbraw/zinc/32/70/45/634327045.db2.gz ODPAGDOIEBDSGX-JSGCOSHPSA-N 3 0 235.375 1.794 20 0 BDADRP C[C@H]([NH3+])[C@H](NC1CC[NH2+]CC1)c1ccccc1 ZINC000925696038 634352665 /nfs/dbraw/zinc/35/26/65/634352665.db2.gz ZBLFFQNQEOLDAT-FZMZJTMJSA-N 2 0 233.359 1.417 20 0 BDADRP C[C@H]([NH3+])[C@H](N[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000925695955 634352970 /nfs/dbraw/zinc/35/29/70/634352970.db2.gz YWYRFVNKMFOMKA-UHTWSYAYSA-N 2 0 219.332 1.026 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1NCc1ccc2c[nH+]cn2c1 ZINC000925697287 634357174 /nfs/dbraw/zinc/35/71/74/634357174.db2.gz XLJFEXQHLHDTFO-ZDUSSCGKSA-N 2 0 244.342 1.564 20 0 BDADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925697282 634357974 /nfs/dbraw/zinc/35/79/74/634357974.db2.gz XJJLXBKNAAYFQD-XQHKEYJVSA-N 2 0 238.375 1.802 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1NCc1ccc2c[nH+]cn2c1 ZINC000925697286 634358997 /nfs/dbraw/zinc/35/89/97/634358997.db2.gz XLJFEXQHLHDTFO-CYBMUJFWSA-N 2 0 244.342 1.564 20 0 BDADRP C[C@H]([NH3+])[C@H](N[C@@H]1CCC[NH2+][C@@H]1C)c1ccccc1 ZINC000925698857 634364965 /nfs/dbraw/zinc/36/49/65/634364965.db2.gz HLJQGWVIBIWXKZ-MXYBEHONSA-N 2 0 247.386 1.805 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925698965 634366159 /nfs/dbraw/zinc/36/61/59/634366159.db2.gz MCRPBNZCDZQQIW-LPWJVIDDSA-N 2 0 239.407 1.480 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@@H]1CCC[NH2+]CC1)[NH2+]2 ZINC000925699261 634366612 /nfs/dbraw/zinc/36/66/12/634366612.db2.gz JRICZIUBGQLBKF-RKQHYHRCSA-N 2 0 237.391 1.247 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@H]1CC[NH2+]C12CCC2 ZINC000925700061 634367703 /nfs/dbraw/zinc/36/77/03/634367703.db2.gz REALUHFXUODCPD-NEPJUHHUSA-N 2 0 225.380 1.378 20 0 BDADRP CC1(C)C[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)C[C@@H]([NH3+])C1 ZINC000925700224 634370583 /nfs/dbraw/zinc/37/05/83/634370583.db2.gz NVVFQLCPDCOBOY-AGIUHOORSA-N 3 0 239.407 1.624 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000925700225 634371190 /nfs/dbraw/zinc/37/11/90/634371190.db2.gz NVVFQLCPDCOBOY-FRRDWIJNSA-N 3 0 239.407 1.624 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000925772970 635219760 /nfs/dbraw/zinc/21/97/60/635219760.db2.gz LJGVCVQEARKKQU-LPWJVIDDSA-N 2 0 226.364 1.804 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2CC3(CCC3)CO2)C1 ZINC000925774375 635232870 /nfs/dbraw/zinc/23/28/70/635232870.db2.gz UVGZYHYYDLMQKP-FRRDWIJNSA-N 2 0 238.375 1.805 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925799586 635343460 /nfs/dbraw/zinc/34/34/60/635343460.db2.gz VPWPABBXVRWIJN-WRWGMCAJSA-N 2 0 214.353 1.245 20 0 BDADRP C[C@H]1CCC[C@@H]([NH2+]CCN2CCC([NH3+])CC2)C1 ZINC000925808989 635360357 /nfs/dbraw/zinc/36/03/57/635360357.db2.gz GEFLZQDFXBBVJK-GXTWGEPZSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(C2CC2)nn1C ZINC000925873046 635589904 /nfs/dbraw/zinc/58/99/04/635589904.db2.gz DXKXXDXYWJYZKK-UWVGGRQHSA-N 2 0 236.363 1.513 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccc2c1OCC2 ZINC000925873548 635591801 /nfs/dbraw/zinc/59/18/01/635591801.db2.gz BGZLBRGWZRMACP-WDEREUQCSA-N 2 0 234.343 1.837 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1c2ccccc2CC[C@H]1O ZINC000925891416 635617697 /nfs/dbraw/zinc/61/76/97/635617697.db2.gz VKPORXISTUYFCC-DRABBMOASA-N 2 0 248.370 1.750 20 0 BDADRP CC(C)C[C@H](CO)[NH2+]CC1CC[NH+](C)CC1 ZINC000054243521 636242729 /nfs/dbraw/zinc/24/27/29/636242729.db2.gz HRJGIQSGCGYQBB-CYBMUJFWSA-N 2 0 228.380 1.325 20 0 BDADRP CCC[C@@](C)(O)C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902362802 637299813 /nfs/dbraw/zinc/29/98/13/637299813.db2.gz ZWMJQLFIRHRDPM-GXTWGEPZSA-N 2 0 242.407 1.905 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCn2cccn2)C1 ZINC000902362493 637300877 /nfs/dbraw/zinc/30/08/77/637300877.db2.gz XKFQVOWYXGJWKM-LBPRGKRZSA-N 2 0 236.363 1.251 20 0 BDADRP Cc1noc([C@H](C)[N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)n1 ZINC000903463865 637364879 /nfs/dbraw/zinc/36/48/79/637364879.db2.gz QHBHXXUVFQGQGM-GDPRMGEGSA-N 2 0 238.335 1.498 20 0 BDADRP Cn1nccc1[C@@H]1CCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903566714 637372276 /nfs/dbraw/zinc/37/22/76/637372276.db2.gz ZDCCTLOEBHWWCK-DYEKYZERSA-N 2 0 248.374 1.684 20 0 BDADRP C[N@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)CC(C)(C)C ZINC000903721436 637377568 /nfs/dbraw/zinc/37/75/68/637377568.db2.gz AHPATWDKRAZGMH-JSGCOSHPSA-N 2 0 240.391 1.733 20 0 BDADRP C[N@H+](CC1CC1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903723018 637378153 /nfs/dbraw/zinc/37/81/53/637378153.db2.gz RYSHRWGNUOZHNC-CHWSQXEVSA-N 2 0 224.348 1.097 20 0 BDADRP CC[N@H+](C[C@H]1CCOC1)C[C@@H]1CCCC[NH2+]C1 ZINC000903722111 637379143 /nfs/dbraw/zinc/37/91/43/637379143.db2.gz HEUQIPQHDWKWPX-ZIAGYGMSSA-N 2 0 240.391 1.735 20 0 BDADRP CC[N@H+](C[C@@H]1CCOC1)C[C@H]1CCCC[NH2+]C1 ZINC000903722108 637379321 /nfs/dbraw/zinc/37/93/21/637379321.db2.gz HEUQIPQHDWKWPX-KBPBESRZSA-N 2 0 240.391 1.735 20 0 BDADRP C[N@H+](CC1CC1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903722565 637380339 /nfs/dbraw/zinc/38/03/39/637380339.db2.gz MSQUFYCAQYXIOZ-CYBMUJFWSA-N 2 0 238.375 1.487 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903788525 637381691 /nfs/dbraw/zinc/38/16/91/637381691.db2.gz NDAUIGLYJGPBAC-STQMWFEESA-N 3 0 225.380 1.047 20 0 BDADRP CCc1noc([C@@H]2CC[C@@H]([NH2+]CCC[NH3+])C2)n1 ZINC000904428121 637398590 /nfs/dbraw/zinc/39/85/90/637398590.db2.gz DPASUTVFBBINRI-NXEZZACHSA-N 2 0 238.335 1.207 20 0 BDADRP C[C@H]1C[C@H](C[NH2+]Cc2cncc(O)c2)CC[NH2+]1 ZINC000904433319 637401060 /nfs/dbraw/zinc/40/10/60/637401060.db2.gz LFCORPMGYCAMFA-WDEREUQCSA-N 2 0 235.331 1.265 20 0 BDADRP CC(C)[C@H](C[NH3+])CN[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000904459498 637420832 /nfs/dbraw/zinc/42/08/32/637420832.db2.gz SNQLXZXHUYVAGO-BPLDGKMQSA-N 2 0 247.386 1.432 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1cncs1 ZINC000904468893 637422751 /nfs/dbraw/zinc/42/27/51/637422751.db2.gz GHLPLERSODXHOO-SECBINFHSA-N 2 0 225.361 1.793 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+][C@@H]1COC[C@@H]1C1CC1 ZINC000904477384 637427285 /nfs/dbraw/zinc/42/72/85/637427285.db2.gz VEMNJQIZDHDNPP-YNEHKIRRSA-N 2 0 226.364 1.374 20 0 BDADRP C[C@@H]1C[C@H](CNc2ccccc2C[NH3+])CC[NH2+]1 ZINC000904484045 637427849 /nfs/dbraw/zinc/42/78/49/637427849.db2.gz CRXALRDKMYMMTK-VXGBXAGGSA-N 2 0 233.359 1.945 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000904916558 637521543 /nfs/dbraw/zinc/52/15/43/637521543.db2.gz ISTONIKCYAGVON-OLZOCXBDSA-N 2 0 243.395 1.384 20 0 BDADRP Cc1ccc(C[NH2+]C2CC([NH3+])C2)cc1C ZINC000906508738 638181566 /nfs/dbraw/zinc/18/15/66/638181566.db2.gz XFONRVUKYOYHAP-UHFFFAOYSA-N 2 0 204.317 1.883 20 0 BDADRP Cc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)cc1F ZINC000906508657 638182187 /nfs/dbraw/zinc/18/21/87/638182187.db2.gz STGCSKZEXVUIMT-XYPYZODXSA-N 2 0 208.280 1.713 20 0 BDADRP CC[C@H]1C[C@H](C[NH2+]C2CC([NH3+])C2)CCO1 ZINC000906510132 638183126 /nfs/dbraw/zinc/18/31/26/638183126.db2.gz NDEVMAFQERYNKY-YYJSSNLHSA-N 2 0 212.337 1.271 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc3cnccc32)C1 ZINC000906516345 638186256 /nfs/dbraw/zinc/18/62/56/638186256.db2.gz FGMLCRPMKFJHBC-JOCQHMNTSA-N 2 0 227.311 1.814 20 0 BDADRP CC1(C)Cc2cc(C[NH2+]C3CC([NH3+])C3)ccc2O1 ZINC000906511488 638186263 /nfs/dbraw/zinc/18/62/63/638186263.db2.gz XFRJTBYCDHPYFO-UHFFFAOYSA-N 2 0 246.354 1.979 20 0 BDADRP [NH3+][C@H]1C[C@H](N[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000906518905 638188425 /nfs/dbraw/zinc/18/84/25/638188425.db2.gz UODZOTLCPKVPKT-TUVASFSCSA-N 2 0 245.370 1.559 20 0 BDADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CCN(C)C1 ZINC000906500768 638194548 /nfs/dbraw/zinc/19/45/48/638194548.db2.gz NNGJWHXGCDSOGU-DGCLKSJQSA-N 2 0 248.374 1.203 20 0 BDADRP CCN1CC[C@@H]1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000712557929 711472907 /nfs/dbraw/zinc/47/29/07/711472907.db2.gz OWGAEQBBDADNTN-RWMBFGLXSA-N 2 0 225.380 1.153 20 0 BDADRP C[NH2+]CCCNC(=O)[C@@H]([NH3+])C1CCCCCC1 ZINC000911675650 639717421 /nfs/dbraw/zinc/71/74/21/639717421.db2.gz DXLUOFFCZVXXCU-LBPRGKRZSA-N 2 0 241.379 1.010 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)C2([NH2+]C)CCC2)c1 ZINC000911688549 639729032 /nfs/dbraw/zinc/72/90/32/639729032.db2.gz PZNCUSMAJUTVSZ-UHFFFAOYSA-N 2 0 247.342 1.487 20 0 BDADRP CC(C)(C)[C@@H]([NH3+])CC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000911719151 639743494 /nfs/dbraw/zinc/74/34/94/639743494.db2.gz CPZIJRXJRPMXTM-MNOVXSKESA-N 2 0 241.379 1.090 20 0 BDADRP CC(C)C[C@@H]([NH3+])CC(=O)NC1CCC([NH3+])CC1 ZINC000911726788 639754015 /nfs/dbraw/zinc/75/40/15/639754015.db2.gz HEDBSMAODXRJGS-MOENNCHZSA-N 2 0 241.379 1.136 20 0 BDADRP CC(C)[NH2+]CCCNC(=O)c1ccccc1C[NH3+] ZINC000911763858 639790969 /nfs/dbraw/zinc/79/09/69/639790969.db2.gz NHBKTSGCKUMVTQ-UHFFFAOYSA-N 2 0 249.358 1.263 20 0 BDADRP CC[C@@H](C)C[C@@H]([NH3+])C(=O)NCCC[NH2+]C(C)C ZINC000911764471 639791270 /nfs/dbraw/zinc/79/12/70/639791270.db2.gz TWNRTKMVXWHCPA-VXGBXAGGSA-N 2 0 243.395 1.254 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCOC3CC3)C2)C1 ZINC000930555792 639811065 /nfs/dbraw/zinc/81/10/65/639811065.db2.gz QJMWTHMEKADJJI-CYBMUJFWSA-N 2 0 224.348 1.193 20 0 BDADRP CCC(CC)(C[NH3+])NC(=O)CCCC[NH2+]C ZINC000911799496 639821156 /nfs/dbraw/zinc/82/11/56/639821156.db2.gz IOUGDYTUJHGKHS-UHFFFAOYSA-N 2 0 229.368 1.010 20 0 BDADRP CC[C@@H](C)C[C@H]([NH3+])C(=O)NC1(C[NH3+])CCCC1 ZINC000911800842 639822581 /nfs/dbraw/zinc/82/25/81/639822581.db2.gz VETQVHGGAFGPFX-MNOVXSKESA-N 2 0 241.379 1.138 20 0 BDADRP CC[C@@H](C)C[C@@H]([NH3+])C(=O)NC1(C[NH3+])CCCC1 ZINC000911800841 639822991 /nfs/dbraw/zinc/82/29/91/639822991.db2.gz VETQVHGGAFGPFX-GHMZBOCLSA-N 2 0 241.379 1.138 20 0 BDADRP CC(C)C[C@H](C[NH3+])NC(=O)C[C@H]([NH3+])C(C)(C)C ZINC000911822372 639836191 /nfs/dbraw/zinc/83/61/91/639836191.db2.gz YMWMNJFPQGQHHO-MNOVXSKESA-N 2 0 243.395 1.240 20 0 BDADRP CC(C)C[C@@H]([NH3+])CC(=O)N[C@H](C[NH3+])CC(C)C ZINC000911820489 639836286 /nfs/dbraw/zinc/83/62/86/639836286.db2.gz RXVNEEGQNNPWLS-NEPJUHHUSA-N 2 0 243.395 1.240 20 0 BDADRP CC(C)C[C@](C)(C[NH3+])C(=O)NC[C@@H]([NH3+])C(C)C ZINC000911827418 639838959 /nfs/dbraw/zinc/83/89/59/639838959.db2.gz UVBXVPKWOSYPLA-DGCLKSJQSA-N 2 0 243.395 1.097 20 0 BDADRP CC1CC(C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)C1 ZINC000930903707 639978486 /nfs/dbraw/zinc/97/84/86/639978486.db2.gz OHWQUNPYMGCNEB-JXQTWKCFSA-N 2 0 240.391 1.421 20 0 BDADRP C[C@H]1[C@@H]([NH+](C)C)CCN1C[C@H]1CCC[N@@H+]1C ZINC000931036511 640031779 /nfs/dbraw/zinc/03/17/79/640031779.db2.gz GMCXHBYTGXLVLT-XQQFMLRXSA-N 2 0 225.380 1.105 20 0 BDADRP CN1C[C@]2(C)C[N@H+](CCCF)C[C@]2(C)C1 ZINC000931311774 640147197 /nfs/dbraw/zinc/14/71/97/640147197.db2.gz STKJEKCBKLCWDA-TXEJJXNPSA-N 2 0 214.328 1.620 20 0 BDADRP CO[C@H]1CC[C@H]([NH+]2CCC(C)([NH+](C)C)CC2)C1 ZINC000931354618 640167460 /nfs/dbraw/zinc/16/74/60/640167460.db2.gz KZOZXVYBMJSJJT-STQMWFEESA-N 2 0 240.391 1.970 20 0 BDADRP COCC[C@@H](C)[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931351868 640168190 /nfs/dbraw/zinc/16/81/90/640168190.db2.gz WDYHUQMVFSIACA-GFCCVEGCSA-N 2 0 228.380 1.828 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CCCCO3)C[C@@H]2C1 ZINC000931428916 640197813 /nfs/dbraw/zinc/19/78/13/640197813.db2.gz CDGOYOVWFMVFHU-HZSPNIEDSA-N 2 0 238.375 1.439 20 0 BDADRP CC[C@H](C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1)OC ZINC000931441252 640208822 /nfs/dbraw/zinc/20/88/22/640208822.db2.gz FTVLPHDIQFHAAJ-YNEHKIRRSA-N 2 0 226.364 1.295 20 0 BDADRP CC(C)C[NH+]1CCN(CCCCCC[NH3+])CC1 ZINC000055083693 640433859 /nfs/dbraw/zinc/43/38/59/640433859.db2.gz BGEMFJZLUTVAGA-UHFFFAOYSA-N 2 0 241.423 1.779 20 0 BDADRP Cc1cc(NCC(C)(C)[NH+](C)C)nc(N)[nH+]1 ZINC000045724104 640652406 /nfs/dbraw/zinc/65/24/06/640652406.db2.gz OXWWSAFYSFMMIK-UHFFFAOYSA-N 2 0 223.324 1.119 20 0 BDADRP C[N@H+](Cc1cncs1)C1CCC([NH3+])CC1 ZINC000166665580 640662839 /nfs/dbraw/zinc/66/28/39/640662839.db2.gz IFHKWNBWLSPHFZ-UHFFFAOYSA-N 2 0 225.361 1.845 20 0 BDADRP CN(CC[C@@H]1CCC[N@@H+]1C)Cc1cccc(=O)[nH]1 ZINC000933398912 640713336 /nfs/dbraw/zinc/71/33/36/640713336.db2.gz NYTGBZHTDGEYKP-ZDUSSCGKSA-N 2 0 249.358 1.703 20 0 BDADRP C[N@@H+]1C[C@@H]2CN(CCc3ccncc3)C[C@]2(C)C1 ZINC000933731604 640752278 /nfs/dbraw/zinc/75/22/78/640752278.db2.gz DFDDKBLONFGBOK-CABCVRRESA-N 2 0 245.370 1.508 20 0 BDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCCCCCO ZINC000226431524 640764052 /nfs/dbraw/zinc/76/40/52/640764052.db2.gz UBDIPRMUXWILLS-CYBMUJFWSA-N 2 0 230.396 1.844 20 0 BDADRP CC[N@H+](CCc1ccccn1)C[C@@H]1CCC[NH2+]C1 ZINC000226439464 640765918 /nfs/dbraw/zinc/76/59/18/640765918.db2.gz KAJQTKWVTWDPCL-CQSZACIVSA-N 2 0 247.386 1.946 20 0 BDADRP C[N@@H+]1CCC[C@H]2CN(C[C@@H]3CCC[NH2+]3)CC[C@H]21 ZINC000227337193 640829109 /nfs/dbraw/zinc/82/91/09/640829109.db2.gz CBTMESAILZACTP-MELADBBJSA-N 2 0 237.391 1.155 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC1CCSCC1 ZINC000229216442 640934026 /nfs/dbraw/zinc/93/40/26/640934026.db2.gz SCGXFQKVRUYMPM-RYUDHWBXSA-N 2 0 228.405 1.847 20 0 BDADRP C[C@]1(C[NH2+]C[C@H]2CCCO2)CCC[NH2+]C1 ZINC000062862301 641100765 /nfs/dbraw/zinc/10/07/65/641100765.db2.gz CKQGKNZSKRGYIF-NEPJUHHUSA-N 2 0 212.337 1.145 20 0 BDADRP CCOC1CC[NH+](C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000062862321 641101735 /nfs/dbraw/zinc/10/17/35/641101735.db2.gz IMXUTURGBCAEBJ-CQSZACIVSA-N 2 0 240.391 1.877 20 0 BDADRP C[NH+](C)CCC[NH2+][C@@H]1CCOC12CCCC2 ZINC000934384082 641138997 /nfs/dbraw/zinc/13/89/97/641138997.db2.gz BJYGCXYUHKFPTF-GFCCVEGCSA-N 2 0 226.364 1.629 20 0 BDADRP COC(C)(C)C[NH2+]CC1CC[NH+](C)CC1 ZINC000158967310 641658879 /nfs/dbraw/zinc/65/88/79/641658879.db2.gz JSKRHGLWSAXMSM-UHFFFAOYSA-N 2 0 214.353 1.343 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](Cc2cccc(F)c2)C1 ZINC000075150849 641747347 /nfs/dbraw/zinc/74/73/47/641747347.db2.gz ASAPAGRLRBCUNK-NSHDSACASA-N 2 0 222.307 1.996 20 0 BDADRP C[NH+]1CCC(C[NH2+]Cc2ccc(F)nc2)CC1 ZINC000189058566 641783245 /nfs/dbraw/zinc/78/32/45/641783245.db2.gz KKJKVKRBRNDNQT-UHFFFAOYSA-N 2 0 237.322 1.652 20 0 BDADRP C[C@H](c1ccccc1)[NH+]1CCN(CCC[NH3+])CC1 ZINC000078626738 641941445 /nfs/dbraw/zinc/94/14/45/641941445.db2.gz MNSGBXAKNDLFPR-CQSZACIVSA-N 2 0 247.386 1.714 20 0 BDADRP C[NH+](C)C1(CN[C@@H]2CCCC[C@@H]2C[NH3+])CCC1 ZINC000097929576 642642333 /nfs/dbraw/zinc/64/23/33/642642333.db2.gz ZHMHYZOMGABNEW-CHWSQXEVSA-N 2 0 239.407 1.578 20 0 BDADRP CCCC1(C[NH2+][C@H](C)C[C@H]2COCCN2)CC1 ZINC000233037743 642644608 /nfs/dbraw/zinc/64/46/08/642644608.db2.gz ZQRUBJMMAUXVPM-OLZOCXBDSA-N 2 0 240.391 1.923 20 0 BDADRP CCCN1CC[NH+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000233033911 642647099 /nfs/dbraw/zinc/64/70/99/642647099.db2.gz VLWJZABDQKNZTP-UONOGXRCSA-N 2 0 239.407 1.402 20 0 BDADRP CCOC[C@@H]([NH2+]CC1CC[NH+](C)CC1)C(C)C ZINC000233726306 642688477 /nfs/dbraw/zinc/68/84/77/642688477.db2.gz GBVPZOWKUIMDON-CQSZACIVSA-N 2 0 242.407 1.979 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]CC(C)(C)[NH3+])C1(C)C ZINC000233763682 642690583 /nfs/dbraw/zinc/69/05/83/642690583.db2.gz IPQFVCPWIVBNNA-VHSXEESVSA-N 2 0 214.353 1.517 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@]2(CCC[NH2+]2)C1 ZINC000420407717 642723880 /nfs/dbraw/zinc/72/38/80/642723880.db2.gz SQVXTLYUYMVFPX-CQSZACIVSA-N 2 0 239.407 1.546 20 0 BDADRP C[C@@H]([NH3+])CCC(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000070317081 643014754 /nfs/dbraw/zinc/01/47/54/643014754.db2.gz WKGVTQMQSWPSPE-NEPJUHHUSA-N 2 0 241.379 1.104 20 0 BDADRP CCCCCC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000070916430 643082390 /nfs/dbraw/zinc/08/23/90/643082390.db2.gz OMQSHWQIZITYAJ-UHFFFAOYSA-N 2 0 227.396 1.404 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC000306042170 643285230 /nfs/dbraw/zinc/28/52/30/643285230.db2.gz XLWAIRHDIZUJMP-ZIAGYGMSSA-N 2 0 248.370 1.698 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)CC[NH2+]C ZINC000049844290 643475566 /nfs/dbraw/zinc/47/55/66/643475566.db2.gz DDKGBNRLTFBEBU-GFCCVEGCSA-N 2 0 243.395 1.223 20 0 BDADRP [NH3+]C[C@H]1CCC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000083525974 643583680 /nfs/dbraw/zinc/58/36/80/643583680.db2.gz UFCQMJACQQTLNM-NEPJUHHUSA-N 2 0 212.337 1.226 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccsc1 ZINC000084221819 643650688 /nfs/dbraw/zinc/65/06/88/643650688.db2.gz BMEHSTKLWRZWMZ-WDEREUQCSA-N 2 0 210.346 1.965 20 0 BDADRP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000085014653 643679145 /nfs/dbraw/zinc/67/91/45/643679145.db2.gz QPKTVNKLBDJKPF-YPMHNXCESA-N 2 0 219.332 1.641 20 0 BDADRP C[C@@H]1C[NH+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H](C)S1 ZINC000085016076 643680865 /nfs/dbraw/zinc/68/08/65/643680865.db2.gz XHFGPQMUOBLBCM-KKOKHZNYSA-N 2 0 228.405 1.940 20 0 BDADRP C[C@H]1CSCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000085016062 643681162 /nfs/dbraw/zinc/68/11/62/643681162.db2.gz ZQNWILQGGKNDCP-AXFHLTTASA-N 2 0 214.378 1.551 20 0 BDADRP CC[C@H]1C[N@H+](Cc2ncccc2C)CC[C@@H]1[NH3+] ZINC000166344758 643812485 /nfs/dbraw/zinc/81/24/85/643812485.db2.gz PTVHWHHWDKVNTI-STQMWFEESA-N 2 0 233.359 1.949 20 0 BDADRP C[N@H+](C/C=C/Cl)C1CCC([NH3+])CC1 ZINC000085869941 643824766 /nfs/dbraw/zinc/82/47/66/643824766.db2.gz RAUNPALCOBHGGX-FARCUNLSSA-N 2 0 202.729 1.941 20 0 BDADRP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cc[nH]c(=O)c2)C1 ZINC000922283635 643952629 /nfs/dbraw/zinc/95/26/29/643952629.db2.gz FUFHUTUTUJIRAJ-ZDUSSCGKSA-N 2 0 249.358 1.609 20 0 BDADRP CC1([NH+]2CCC2)CCC([NH2+][C@H]2CCOC2)CC1 ZINC000922847158 644119376 /nfs/dbraw/zinc/11/93/76/644119376.db2.gz KYQKTCSAHSBPOE-MOKVOYLWSA-N 2 0 238.375 1.772 20 0 BDADRP C[C@@H](O)C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000086500943 644144356 /nfs/dbraw/zinc/14/43/56/644144356.db2.gz XOSLWBJEDOSSKX-QJPTWQEYSA-N 2 0 214.353 1.268 20 0 BDADRP C[N@H+](C[C@H](O)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000923279357 644312042 /nfs/dbraw/zinc/31/20/42/644312042.db2.gz MCURNAZYZFWLLJ-OAHLLOKOSA-N 2 0 248.370 1.274 20 0 BDADRP CC(C)CC[C@@H](O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000923282418 644315674 /nfs/dbraw/zinc/31/56/74/644315674.db2.gz VVFUGGRFYZOBGS-CHWSQXEVSA-N 2 0 228.380 1.454 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000923284833 644317850 /nfs/dbraw/zinc/31/78/50/644317850.db2.gz VOAYRNUMCYONSG-NSHDSACASA-N 3 0 225.380 1.188 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923282963 644318138 /nfs/dbraw/zinc/31/81/38/644318138.db2.gz ZFUAMTPPLGZIGJ-PBNFFQIGSA-N 3 0 237.391 1.188 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000923284832 644318537 /nfs/dbraw/zinc/31/85/37/644318537.db2.gz VOAYRNUMCYONSG-LLVKDONJSA-N 3 0 225.380 1.188 20 0 BDADRP C[NH2+]CC1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000923289999 644322740 /nfs/dbraw/zinc/32/27/40/644322740.db2.gz LAUZTQGXFQPZFL-UHFFFAOYSA-N 3 0 225.380 1.060 20 0 BDADRP CCC[NH+](CCC)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923300031 644326909 /nfs/dbraw/zinc/32/69/09/644326909.db2.gz MMSZVYRQXVEJTL-GFCCVEGCSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923300083 644326955 /nfs/dbraw/zinc/32/69/55/644326955.db2.gz NQXBTPRJXNFACZ-RYUDHWBXSA-N 2 0 224.348 1.239 20 0 BDADRP CC[C@@H]1CCCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923299954 644327006 /nfs/dbraw/zinc/32/70/06/644327006.db2.gz KDELNESDAJMFBM-CHWSQXEVSA-N 2 0 238.375 1.629 20 0 BDADRP CCCCCC[C@@H](O)CN1CCC[C@H]1C[NH3+] ZINC000923292740 644328111 /nfs/dbraw/zinc/32/81/11/644328111.db2.gz KXNRCIJGPKILSY-QWHCGFSZSA-N 2 0 228.380 1.741 20 0 BDADRP C[C@@H](C[NH3+])N(C)C[C@H](O)CCc1ccccc1 ZINC000923292491 644329160 /nfs/dbraw/zinc/32/91/60/644329160.db2.gz YPFUPNAZEXKBTL-GXTWGEPZSA-N 2 0 236.359 1.259 20 0 BDADRP CCC[N@H+](CC1CC1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923300294 644329272 /nfs/dbraw/zinc/32/92/72/644329272.db2.gz QNBGCWXPVKCUGO-CYBMUJFWSA-N 2 0 238.375 1.487 20 0 BDADRP CC(C)CC[C@@H](O)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000923295721 644332112 /nfs/dbraw/zinc/33/21/12/644332112.db2.gz FQIPTKFNBKWZML-CHWSQXEVSA-N 2 0 228.380 1.501 20 0 BDADRP C[C@](C[NH3+])([NH2+]C[C@@H](O)c1ccccc1)C1CC1 ZINC000923295748 644332348 /nfs/dbraw/zinc/33/23/48/644332348.db2.gz GDPYVIUXFJJKMB-ZIAGYGMSSA-N 2 0 234.343 1.437 20 0 BDADRP CC(C)CC[C@H](O)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000923295723 644333148 /nfs/dbraw/zinc/33/31/48/644333148.db2.gz FQIPTKFNBKWZML-QWHCGFSZSA-N 2 0 228.380 1.501 20 0 BDADRP C[N@@H+](Cc1ccccc1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923298343 644336890 /nfs/dbraw/zinc/33/68/90/644336890.db2.gz AQFYZJVLHJWGDK-AWEZNQCLSA-N 2 0 246.354 1.497 20 0 BDADRP CC(C)C[C@H]1CC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923313577 644342386 /nfs/dbraw/zinc/34/23/86/644342386.db2.gz WIKWDLJDVBFREB-VOAKCMCISA-N 2 0 226.364 1.205 20 0 BDADRP C([C@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CCC2(CCC2)C1 ZINC000923315305 644343004 /nfs/dbraw/zinc/34/30/04/644343004.db2.gz GLXITOPZWNBTFG-GFCCVEGCSA-N 2 0 236.359 1.241 20 0 BDADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCCc3ccccc3C2)C1 ZINC000923311575 644345852 /nfs/dbraw/zinc/34/58/52/644345852.db2.gz PEBJYMKHUVAQDE-KKUMJFAQSA-N 2 0 246.354 1.285 20 0 BDADRP CCC[C@H]1C[NH2+]CCN1CCC[NH2+]C1CC1 ZINC000923331150 644348907 /nfs/dbraw/zinc/34/89/07/644348907.db2.gz KYTPOOIYGGCJHL-ZDUSSCGKSA-N 2 0 225.380 1.202 20 0 BDADRP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1cc[nH]n1 ZINC000923322440 644352407 /nfs/dbraw/zinc/35/24/07/644352407.db2.gz LIWMPLOBZKEBCX-YHWZYXNKSA-N 2 0 248.374 1.762 20 0 BDADRP CCCCCC[C@H](O)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000923333863 644355117 /nfs/dbraw/zinc/35/51/17/644355117.db2.gz YMHSPJZXRXWRQT-RDBSUJKOSA-N 2 0 242.407 1.987 20 0 BDADRP CCN(CCC[NH2+]C1CC1)[C@H]1CCC[NH2+]CC1 ZINC000923335582 644357275 /nfs/dbraw/zinc/35/72/75/644357275.db2.gz NIQHCEKJRAOIBI-AWEZNQCLSA-N 2 0 239.407 1.593 20 0 BDADRP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC([NH3+])C1 ZINC000923360735 644386899 /nfs/dbraw/zinc/38/68/99/644386899.db2.gz FDSZXVKCJSMJHP-LJZITESISA-N 3 0 237.391 1.329 20 0 BDADRP CC[C@H](O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000923363143 644388168 /nfs/dbraw/zinc/38/81/68/644388168.db2.gz VIMJZSKCPQZKTR-XQQFMLRXSA-N 2 0 226.364 1.079 20 0 BDADRP CC[C@@H]1CC[C@H](C)[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923373353 644388935 /nfs/dbraw/zinc/38/89/35/644388935.db2.gz MXHPYMONWYVEEY-YNEHKIRRSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@H]1CCCN(CCC[NH2+]C2CC2)[C@H]1CC[NH3+] ZINC000923387961 644398315 /nfs/dbraw/zinc/39/83/15/644398315.db2.gz PNWQJTQHLVIKDO-JSGCOSHPSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@]12COC[C@H]1C[N@H+](CCC[NH2+]C1CC1)C2 ZINC000923387254 644398350 /nfs/dbraw/zinc/39/83/50/644398350.db2.gz CFQUHOJBGAPJHY-YPMHNXCESA-N 2 0 224.348 1.097 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)[C@H](C)C1 ZINC000923387646 644399100 /nfs/dbraw/zinc/39/91/00/644399100.db2.gz YCZHJRPKBMJVHU-UPJWGTAASA-N 2 0 238.375 1.485 20 0 BDADRP CC(C)[C@H]1C[NH2+]CCN1CCC[NH2+]C1CC1 ZINC000923397593 644404996 /nfs/dbraw/zinc/40/49/96/644404996.db2.gz DCBWGOJTCJBQOC-CYBMUJFWSA-N 2 0 225.380 1.058 20 0 BDADRP CCCCCC[C@H](O)C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000923409926 644411826 /nfs/dbraw/zinc/41/18/26/644411826.db2.gz CMDRKZOVJRQHRE-RDBSUJKOSA-N 2 0 242.407 1.844 20 0 BDADRP [NH3+][C@H]1CCCCCN(CCC[NH2+]C2CC2)C1 ZINC000923410783 644411947 /nfs/dbraw/zinc/41/19/47/644411947.db2.gz JJNQYOVUAZCXRL-LBPRGKRZSA-N 2 0 225.380 1.332 20 0 BDADRP C[C@@H]1C[N@H+](CCc2cccc(F)c2)C[C@@H]1C[NH3+] ZINC000923412590 644415183 /nfs/dbraw/zinc/41/51/83/644415183.db2.gz RJFHNACUHCHJHG-YPMHNXCESA-N 2 0 236.334 1.895 20 0 BDADRP C[C@H]1C[N@H+](CCc2cccc(F)c2)C[C@H]1C[NH3+] ZINC000923412589 644415282 /nfs/dbraw/zinc/41/52/82/644415282.db2.gz RJFHNACUHCHJHG-WCQYABFASA-N 2 0 236.334 1.895 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000923422841 644418257 /nfs/dbraw/zinc/41/82/57/644418257.db2.gz TWUWCNWXICBORD-BFHYXJOUSA-N 2 0 248.370 1.305 20 0 BDADRP C[NH+]1CCC(C[NH2+]CCOC(F)(F)F)CC1 ZINC000084177913 644418641 /nfs/dbraw/zinc/41/86/41/644418641.db2.gz YYHQHCQLNPOJJM-UHFFFAOYSA-N 2 0 240.269 1.454 20 0 BDADRP C[C@@H](CNC(=O)CC(C)(C)[NH3+])[NH+]1CCCCC1 ZINC000084182908 644420723 /nfs/dbraw/zinc/42/07/23/644420723.db2.gz RDFYKTCLWGKKLI-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP [NH3+][C@H](C[C@H]1CCC[N@H+](CCO)C1)C1CCCC1 ZINC000923428716 644422714 /nfs/dbraw/zinc/42/27/14/644422714.db2.gz YVEFIIVHZLFMCJ-TZMCWYRMSA-N 2 0 240.391 1.598 20 0 BDADRP CC(C)CC[C@H](O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000923419787 644424888 /nfs/dbraw/zinc/42/48/88/644424888.db2.gz CMGCPZQINJUESW-QJPTWQEYSA-N 2 0 228.380 1.499 20 0 BDADRP CC(C)CC[C@H](O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000923419790 644425593 /nfs/dbraw/zinc/42/55/93/644425593.db2.gz CMGCPZQINJUESW-TUAOUCFPSA-N 2 0 228.380 1.499 20 0 BDADRP CN(C)[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000085016301 644436482 /nfs/dbraw/zinc/43/64/82/644436482.db2.gz UYSJEDZYCBRQAB-FRRDWIJNSA-N 2 0 225.380 1.140 20 0 BDADRP CC[C@H](C)C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923450028 644440535 /nfs/dbraw/zinc/44/05/35/644440535.db2.gz DRTBUQVAKUVSBO-QWHCGFSZSA-N 2 0 240.391 1.862 20 0 BDADRP C[N@H+](C[C@H](O)C(F)(F)F)C1CCC([NH3+])CC1 ZINC000085869829 644452081 /nfs/dbraw/zinc/45/20/81/644452081.db2.gz LACVKCVIWRJREY-HACHORDNSA-N 2 0 240.269 1.111 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@H]2C[C@@]23CCOC3)C1 ZINC000923480416 644458635 /nfs/dbraw/zinc/45/86/35/644458635.db2.gz YCODKYOBUKBWMR-JHJVBQTASA-N 2 0 224.348 1.084 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2noc3c2CCCC3)C1 ZINC000923481199 644458687 /nfs/dbraw/zinc/45/86/87/644458687.db2.gz GWGINHIBTTZABI-LLVKDONJSA-N 2 0 249.358 1.724 20 0 BDADRP Cc1ccc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)nc1 ZINC000923495539 644463262 /nfs/dbraw/zinc/46/32/62/644463262.db2.gz BZFJDAHFQANYCJ-QWHCGFSZSA-N 2 0 233.359 1.807 20 0 BDADRP Cc1nc(C)c(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)o1 ZINC000923490502 644465567 /nfs/dbraw/zinc/46/55/67/644465567.db2.gz NYRWGTZHCLTXRK-JOYOIKCWSA-N 2 0 237.347 1.708 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cccnc2)C1 ZINC000086402372 644465876 /nfs/dbraw/zinc/46/58/76/644465876.db2.gz PXXHYJARKNJULX-RYUDHWBXSA-N 2 0 205.305 1.441 20 0 BDADRP CC(C)CC[C@H](O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923491479 644468446 /nfs/dbraw/zinc/46/84/46/644468446.db2.gz IDGVBIWFGGRMNQ-RDBSUJKOSA-N 2 0 242.407 1.700 20 0 BDADRP COCC[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923496907 644469552 /nfs/dbraw/zinc/46/95/52/644469552.db2.gz KEYGXZMTUHTESP-SRVKXCTJSA-N 2 0 214.353 1.328 20 0 BDADRP Cc1c[nH]nc1C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923493717 644470915 /nfs/dbraw/zinc/47/09/15/644470915.db2.gz UMCLZBBCHLTLFW-MNOVXSKESA-N 2 0 222.336 1.135 20 0 BDADRP Cc1cnc([C@H](C)[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)o1 ZINC000923493551 644471375 /nfs/dbraw/zinc/47/13/75/644471375.db2.gz ILILARGFBSHSQG-DLOVCJGASA-N 2 0 237.347 1.961 20 0 BDADRP CCc1cnc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)o1 ZINC000923499453 644471983 /nfs/dbraw/zinc/47/19/83/644471983.db2.gz KXOPQQIMSMXOOE-WDEREUQCSA-N 2 0 237.347 1.654 20 0 BDADRP C[C@H]1C[N@H+](CCc2cccnc2)CC[C@@H]1C[NH3+] ZINC000923500254 644472401 /nfs/dbraw/zinc/47/24/01/644472401.db2.gz MWNHBKZQTJTHKP-GXTWGEPZSA-N 2 0 233.359 1.541 20 0 BDADRP C[C@@H]1C[N@H+](Cc2nccs2)CC[C@@H]1C[NH3+] ZINC000923499856 644472671 /nfs/dbraw/zinc/47/26/71/644472671.db2.gz MNVSBTQMRLYCKX-NXEZZACHSA-N 2 0 225.361 1.560 20 0 BDADRP Cc1nc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)oc1C ZINC000923497335 644474174 /nfs/dbraw/zinc/47/41/74/644474174.db2.gz DPKAQBSNTURWLZ-SKDRFNHKSA-N 2 0 237.347 1.708 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccno2)CC[C@H]1C[NH3+] ZINC000923501131 644474892 /nfs/dbraw/zinc/47/48/92/644474892.db2.gz ZDQSVUILPYRTMD-ZJUUUORDSA-N 2 0 209.293 1.091 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cccc(N)c2)CC[C@@H]1C[NH3+] ZINC000923501324 644476075 /nfs/dbraw/zinc/47/60/75/644476075.db2.gz QLIGTBIVCBLFOH-DGCLKSJQSA-N 2 0 233.359 1.686 20 0 BDADRP CCSCC[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923500923 644476442 /nfs/dbraw/zinc/47/64/42/644476442.db2.gz RXVCPKWUQUUORN-WDEREUQCSA-N 2 0 216.394 1.656 20 0 BDADRP C([C@H]1CCC[NH2+]C1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923533388 644489075 /nfs/dbraw/zinc/48/90/75/644489075.db2.gz KTQCFXYRMHFLOE-UONOGXRCSA-N 2 0 237.391 1.204 20 0 BDADRP [NH3+]CCC[N@@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000923550476 644498481 /nfs/dbraw/zinc/49/84/81/644498481.db2.gz YCVGOXWEWWWFMA-CYBMUJFWSA-N 2 0 226.364 1.474 20 0 BDADRP CC[N@@H+]1CCC[C@H]1CN(C)CC[NH2+]C(C)(C)C ZINC000092627553 644663932 /nfs/dbraw/zinc/66/39/32/644663932.db2.gz MXUPCKRRXZDVED-ZDUSSCGKSA-N 2 0 241.423 1.791 20 0 BDADRP C[C@H](CO)[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000250987489 644788322 /nfs/dbraw/zinc/78/83/22/644788322.db2.gz KUICJFAACWYWHP-FDYHWXHSSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H]1CC[N@H+](C)C1 ZINC000251165650 644795887 /nfs/dbraw/zinc/79/58/87/644795887.db2.gz CZBHCOBYFQXUSM-MCIONIFRSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)C[C@@H]1N(C)C ZINC000251847162 644826842 /nfs/dbraw/zinc/82/68/42/644826842.db2.gz RBFYVLGVORSIME-MCIONIFRSA-N 2 0 239.407 1.258 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)CC[NH2+]1 ZINC000415140430 644885940 /nfs/dbraw/zinc/88/59/40/644885940.db2.gz NJCHDMBXKWQWLR-RDBSUJKOSA-N 2 0 237.391 1.202 20 0 BDADRP CC(C)[NH+]1CCC(NCCC(C)(C)[NH3+])CC1 ZINC000304581967 644913864 /nfs/dbraw/zinc/91/38/64/644913864.db2.gz JWKKOPZRGSHXDW-UHFFFAOYSA-N 2 0 227.396 1.576 20 0 BDADRP C[C@H]([NH2+]Cc1ccc2c[nH+]cn2c1)C(C)(C)CO ZINC000926566065 645287717 /nfs/dbraw/zinc/28/77/17/645287717.db2.gz CXZDCGTYOULSSI-NSHDSACASA-N 2 0 247.342 1.831 20 0 BDADRP FCC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000843388572 645288212 /nfs/dbraw/zinc/28/82/12/645288212.db2.gz RZJYODKVCHNQSH-WDEREUQCSA-N 2 0 200.301 1.277 20 0 BDADRP C[C@@H]1CC2(C[N@@H+]1CCOC(F)F)CC[NH2+]CC2 ZINC000852753099 645488813 /nfs/dbraw/zinc/48/88/13/645488813.db2.gz XEWGXSFZWXEGEJ-SNVBAGLBSA-N 2 0 248.317 1.690 20 0 BDADRP CC[NH+](CC)C[C@@H](C)N[C@H]1CC[NH2+]C12CCC2 ZINC000925488013 645501539 /nfs/dbraw/zinc/50/15/39/645501539.db2.gz ANABVBQKHQMNMZ-OLZOCXBDSA-N 2 0 239.407 1.591 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000927015018 645515845 /nfs/dbraw/zinc/51/58/45/645515845.db2.gz DUMZDDXJBXTDAS-KWCYVHTRSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@@H](CCO)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927040214 645532642 /nfs/dbraw/zinc/53/26/42/645532642.db2.gz ZIIUBLNOVBVHIG-HSBZDZAISA-N 2 0 240.391 1.754 20 0 BDADRP CN(CCC[NH2+]Cc1ccoc1)CC[NH+](C)C ZINC000857784067 645666911 /nfs/dbraw/zinc/66/69/11/645666911.db2.gz PCTZXAIRYRTWQZ-UHFFFAOYSA-N 2 0 239.363 1.253 20 0 BDADRP CC[N@@H+]1CCC[C@H](N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000925494021 645726957 /nfs/dbraw/zinc/72/69/57/645726957.db2.gz NHLUXYQMENSXIO-STQMWFEESA-N 2 0 237.391 1.345 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@H](C)C(C)(C)CO ZINC000924524524 646046059 /nfs/dbraw/zinc/04/60/59/646046059.db2.gz CUYCBCFGOKTNQE-GFCCVEGCSA-N 2 0 230.396 1.715 20 0 BDADRP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)C(C)(C)CO ZINC000924526166 646046292 /nfs/dbraw/zinc/04/62/92/646046292.db2.gz IMSMMYMZBQDAPZ-NSHDSACASA-N 2 0 230.396 1.571 20 0 BDADRP C[C@H]([NH2+]CCC[NH+](C)C)C1(Br)CC1 ZINC000924538523 646057448 /nfs/dbraw/zinc/05/74/48/646057448.db2.gz CAVDZTKSKCAASQ-VIFPVBQESA-N 2 0 249.196 1.844 20 0 BDADRP C[NH+](C)CCC[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000924538908 646059094 /nfs/dbraw/zinc/05/90/94/646059094.db2.gz FMJKCWTYXVDYLM-YNEHKIRRSA-N 2 0 208.349 1.882 20 0 BDADRP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)C(C)(C)CO ZINC000924578766 646072547 /nfs/dbraw/zinc/07/25/47/646072547.db2.gz QISFSIREMHHLLC-CYBMUJFWSA-N 2 0 242.407 1.859 20 0 BDADRP C[NH+](C)CCC1CC[NH+](CCOC2CC2)CC1 ZINC000929328300 646081105 /nfs/dbraw/zinc/08/11/05/646081105.db2.gz QSHKQEKDGDJYHA-UHFFFAOYSA-N 2 0 240.391 1.829 20 0 BDADRP CC[NH+]1CCC(CC[NH2+][C@@H]2COC[C@H]2C)CC1 ZINC000925153659 646195436 /nfs/dbraw/zinc/19/54/36/646195436.db2.gz ZKZYAHOPADBFNE-TZMCWYRMSA-N 2 0 240.391 1.733 20 0 BDADRP CC[NH+](CC)C[C@@H](C)N[C@@H]1CC[NH2+]C1(C)C ZINC000925485177 646289720 /nfs/dbraw/zinc/28/97/20/646289720.db2.gz BPDKHKAMSPBURT-VXGBXAGGSA-N 2 0 227.396 1.447 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@H]1CC[NH2+]C1(C)C ZINC000925485176 646290570 /nfs/dbraw/zinc/29/05/70/646290570.db2.gz BPDKHKAMSPBURT-RYUDHWBXSA-N 2 0 227.396 1.447 20 0 BDADRP CCCC[N@H+](C)CCN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925483667 646294965 /nfs/dbraw/zinc/29/49/65/646294965.db2.gz WYYUHDBVYXQSMB-CHWSQXEVSA-N 2 0 239.407 1.578 20 0 BDADRP CCCC[N@H+](C)CCN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925483669 646295729 /nfs/dbraw/zinc/29/57/29/646295729.db2.gz WYYUHDBVYXQSMB-QWHCGFSZSA-N 2 0 239.407 1.578 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOC2CC2)C[C@@H]1C ZINC000929783031 646307212 /nfs/dbraw/zinc/30/72/12/646307212.db2.gz YHRRUZBNEYEBEK-QWHCGFSZSA-N 2 0 240.391 1.970 20 0 BDADRP C[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)C[C@H](C)O ZINC000925511187 646307703 /nfs/dbraw/zinc/30/77/03/646307703.db2.gz IGRAQTHYBAQFQN-WOPDTQHZSA-N 2 0 226.364 1.268 20 0 BDADRP C(C[NH+]1CCCC1)N[C@H]1CC[NH2+]C12CCCC2 ZINC000925508091 646308285 /nfs/dbraw/zinc/30/82/85/646308285.db2.gz FBQYKVVMOQNLAW-ZDUSSCGKSA-N 2 0 237.391 1.347 20 0 BDADRP CC[C@H](COC)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925508778 646309398 /nfs/dbraw/zinc/30/93/98/646309398.db2.gz JFSYWXGHAPZPHY-QJPTWQEYSA-N 2 0 228.380 1.907 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925519890 646313429 /nfs/dbraw/zinc/31/34/29/646313429.db2.gz KEXVINQMZPIRQM-QWHCGFSZSA-N 3 0 241.423 1.824 20 0 BDADRP c1cnn(CCC[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000925534137 646319371 /nfs/dbraw/zinc/31/93/71/646319371.db2.gz SXPMNKAUPRUIQA-GFCCVEGCSA-N 2 0 234.347 1.147 20 0 BDADRP C[C@@H]1CCC[N@H+](CCN[C@H]2CC[NH2+]C2(C)C)C1 ZINC000925548492 646326971 /nfs/dbraw/zinc/32/69/71/646326971.db2.gz CITWUOKPZTVIDN-OLZOCXBDSA-N 2 0 239.407 1.448 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCCS1 ZINC000925551539 646329969 /nfs/dbraw/zinc/32/99/69/646329969.db2.gz HHHGNYGBYGQKAT-SZQBSXBZSA-N 2 0 240.416 1.988 20 0 BDADRP C[C@H](CCCO)[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925553483 646330753 /nfs/dbraw/zinc/33/07/53/646330753.db2.gz SQVBIQNSRWYNDJ-NDBYEHHHSA-N 2 0 240.391 1.514 20 0 BDADRP CC(C)[N@H+](C)CCN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925557292 646334130 /nfs/dbraw/zinc/33/41/30/646334130.db2.gz NNRGJZMCIRLZDF-QWHCGFSZSA-N 2 0 241.423 1.822 20 0 BDADRP C[C@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000925584278 646346825 /nfs/dbraw/zinc/34/68/25/646346825.db2.gz KHJPQOTYFNFSLG-PWSUYJOCSA-N 2 0 208.349 1.907 20 0 BDADRP CC[C@@H](O)CCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925582389 646346936 /nfs/dbraw/zinc/34/69/36/646346936.db2.gz YIOSTPILURMNAS-CHWSQXEVSA-N 2 0 240.391 1.802 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@@H]1CC[NH2+]C1(C)C ZINC000925605117 646355835 /nfs/dbraw/zinc/35/58/35/646355835.db2.gz BXBHCDXITDJKMZ-GFCCVEGCSA-N 2 0 227.396 1.447 20 0 BDADRP C[C@@H](CO)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925613395 646361990 /nfs/dbraw/zinc/36/19/90/646361990.db2.gz CHPAGELECCMLSK-AAEUAGOBSA-N 2 0 222.332 1.437 20 0 BDADRP C[C@H](CO)[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925614319 646363603 /nfs/dbraw/zinc/36/36/03/646363603.db2.gz WKSFKORJLZYFLY-RTXFEEFZSA-N 2 0 226.364 1.125 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000925616341 646365564 /nfs/dbraw/zinc/36/55/64/646365564.db2.gz RDCSFYWIWDPZGT-IJLUTSLNSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@@H](CO)CCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925631691 646377081 /nfs/dbraw/zinc/37/70/81/646377081.db2.gz WMLSYMUFGWCGCE-OLZOCXBDSA-N 2 0 240.391 1.659 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCC=CO1 ZINC000925644346 646384328 /nfs/dbraw/zinc/38/43/28/646384328.db2.gz LSWMURFFMFLTEI-VZANTVGXSA-N 2 0 236.359 1.785 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CC2(CCO)CC2)C1 ZINC000925645326 646386258 /nfs/dbraw/zinc/38/62/58/646386258.db2.gz PNCDIMXBCNBZCH-RYUDHWBXSA-N 2 0 240.391 1.645 20 0 BDADRP CO[C@H](C)C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925644908 646387780 /nfs/dbraw/zinc/38/77/80/646387780.db2.gz MXQOPHBVVVXYMH-VWYCJHECSA-N 2 0 214.353 1.517 20 0 BDADRP CCC(O)(CC)CC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925650192 646389206 /nfs/dbraw/zinc/38/92/06/646389206.db2.gz RXNTVFVFORAOCM-NEPJUHHUSA-N 2 0 240.391 1.787 20 0 BDADRP CC(C)OCC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925647891 646389389 /nfs/dbraw/zinc/38/93/89/646389389.db2.gz JXPDCWKFXQQBSY-AGIUHOORSA-N 2 0 240.391 1.778 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000925650842 646389821 /nfs/dbraw/zinc/38/98/21/646389821.db2.gz ZIJKYHMXQAWFOW-CHQMDOKHSA-N 2 0 238.375 1.253 20 0 BDADRP OC1CC(CC[NH2+][C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925652274 646391281 /nfs/dbraw/zinc/39/12/81/646391281.db2.gz PGRGYJMEGNSUNQ-BPCQOVAHSA-N 2 0 238.375 1.412 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCCCO)C1 ZINC000925655755 646393464 /nfs/dbraw/zinc/39/34/64/646393464.db2.gz HLBBSCHXAHFLMR-WDEREUQCSA-N 2 0 214.353 1.255 20 0 BDADRP CC1(C)[C@@H]([NH2+]CCCCO)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925659586 646397004 /nfs/dbraw/zinc/39/70/04/646397004.db2.gz YMXBDQBFOGWLLG-SRVKXCTJSA-N 2 0 226.364 1.125 20 0 BDADRP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1CCCOC1)[NH2+]2 ZINC000925667708 646398362 /nfs/dbraw/zinc/39/83/62/646398362.db2.gz DYCPQVFOXOROTN-YYHQMBLXSA-N 2 0 224.348 1.284 20 0 BDADRP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CC1(C)C)[NH2+]2 ZINC000925685280 646411015 /nfs/dbraw/zinc/41/10/15/646411015.db2.gz HFLDCHKWMAUOHK-SVNGYHJRSA-N 2 0 208.349 1.904 20 0 BDADRP C[NH2+]CCCN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925690361 646411398 /nfs/dbraw/zinc/41/13/98/646411398.db2.gz JEOVMVQTQLFPCR-GHMZBOCLSA-N 2 0 213.369 1.092 20 0 BDADRP C[C@H]1[NH2+]CCC[C@H]1NCC[N@@H+]1CCCC1(C)C ZINC000925686696 646413182 /nfs/dbraw/zinc/41/31/82/646413182.db2.gz XRKQTUCGAPEUCV-CHWSQXEVSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H]1NCCC[C@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000925686505 646413523 /nfs/dbraw/zinc/41/35/23/646413523.db2.gz VPTDVHTUQYKRNA-GXTWGEPZSA-N 2 0 239.407 1.591 20 0 BDADRP C1CCC2(C1)[NH2+]CC[C@H]2N[C@@H]1CCC[NH2+]C1 ZINC000925688210 646414061 /nfs/dbraw/zinc/41/40/61/646414061.db2.gz BMIXJMKZSBBCBQ-VXGBXAGGSA-N 2 0 223.364 1.003 20 0 BDADRP CCC1(C[NH2+][C@H]2CC[NH2+]C2(C)C)COC1 ZINC000925687407 646414551 /nfs/dbraw/zinc/41/45/51/646414551.db2.gz KBZSRAKYLMUURL-JTQLQIEISA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H]([NH3+])[C@@H](NCCC[NH3+])c1ccccc1 ZINC000925688266 646415044 /nfs/dbraw/zinc/41/50/44/646415044.db2.gz CKYDWUBJHASLFU-CMPLNLGQSA-N 2 0 207.321 1.013 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1NC[C@@H]([NH3+])c1ccccc1 ZINC000925691590 646416156 /nfs/dbraw/zinc/41/61/56/646416156.db2.gz ITEOMRZIDPRSIQ-CHWSQXEVSA-N 2 0 233.359 1.417 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]C[C@@H]2CCC[C@H]2O)C1 ZINC000925693022 646418251 /nfs/dbraw/zinc/41/82/51/646418251.db2.gz QMLFFXRCOYRRSM-WUHRBBMRSA-N 2 0 240.391 1.643 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)[C@H](C)O1 ZINC000925696722 646421135 /nfs/dbraw/zinc/42/11/35/646421135.db2.gz LKECLMSNAGFLQB-XQHKEYJVSA-N 2 0 238.375 1.674 20 0 BDADRP [NH3+]CCC[C@H]([NH2+]CC1C[NH2+]C1)c1ccccc1 ZINC000925701130 646425252 /nfs/dbraw/zinc/42/52/52/646425252.db2.gz ZPYIKANATPKHSJ-AWEZNQCLSA-N 3 0 233.359 1.276 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@@H](N[C@@H]2CCC[NH2+]C2)C1 ZINC000925700898 646425261 /nfs/dbraw/zinc/42/52/61/646425261.db2.gz TXYFULPJSWCELC-QJPTWQEYSA-N 2 0 225.380 1.234 20 0 BDADRP CC[C@H]([NH3+])CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925704322 646429371 /nfs/dbraw/zinc/42/93/71/646429371.db2.gz GALVUWLBXHJDRB-MELADBBJSA-N 2 0 239.407 1.482 20 0 BDADRP [NH3+]CCC[C@@H]([NH2+]C/C=C\CO)c1ccccc1 ZINC000925705103 646429415 /nfs/dbraw/zinc/42/94/15/646429415.db2.gz JJLJLOBMHVQYHC-ZRUQZJFASA-N 2 0 234.343 1.605 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]CCC2=CC[NH2+]CC2)C12CCC2 ZINC000925705482 646431053 /nfs/dbraw/zinc/43/10/53/646431053.db2.gz JJVBZGPVXIEXKD-QWHCGFSZSA-N 3 0 235.375 1.156 20 0 BDADRP [NH3+][C@H]1C[C@@H](NCC2([NH3+])CCCC2)C12CCC2 ZINC000925708868 646432890 /nfs/dbraw/zinc/43/28/90/646432890.db2.gz DMIJSPZFGDFYIQ-WDEREUQCSA-N 2 0 223.364 1.117 20 0 BDADRP [NH3+][C@H]1C[C@H](NCC2([NH3+])CCCC2)C12CCC2 ZINC000925708866 646433093 /nfs/dbraw/zinc/43/30/93/646433093.db2.gz DMIJSPZFGDFYIQ-QWRGUYRKSA-N 2 0 223.364 1.117 20 0 BDADRP CC[C@@H](O)C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925709835 646435157 /nfs/dbraw/zinc/43/51/57/646435157.db2.gz OSVKUIGAZXRPPU-HZSPNIEDSA-N 2 0 240.391 1.515 20 0 BDADRP COC1CC(CC[NH2+][C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925712479 646436496 /nfs/dbraw/zinc/43/64/96/646436496.db2.gz GSXQRHDWANROEY-HTAVTVPLSA-N 2 0 226.364 1.532 20 0 BDADRP COCC1(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925712495 646436782 /nfs/dbraw/zinc/43/67/82/646436782.db2.gz HEDWCWZCZFIIKR-NEPJUHHUSA-N 2 0 240.391 1.909 20 0 BDADRP C[NH2+]C[C@H](C)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000925716194 646440627 /nfs/dbraw/zinc/44/06/27/646440627.db2.gz LSJOCIWSVLWGBP-JSGCOSHPSA-N 2 0 235.375 1.664 20 0 BDADRP FCCOCCN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925715173 646440750 /nfs/dbraw/zinc/44/07/50/646440750.db2.gz ACOPHBUDCSOIGZ-LLVKDONJSA-N 2 0 230.327 1.237 20 0 BDADRP FCCOCCN[C@H]1CC[NH2+]C12CCCC2 ZINC000925715174 646440929 /nfs/dbraw/zinc/44/09/29/646440929.db2.gz ACOPHBUDCSOIGZ-NSHDSACASA-N 2 0 230.327 1.237 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1N[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925717854 646442884 /nfs/dbraw/zinc/44/28/84/646442884.db2.gz IGNNBKFRDOCPBX-FIQHERPVSA-N 2 0 225.380 1.232 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C1(C)C)C1CC[NH2+]CC1 ZINC000925727047 646451443 /nfs/dbraw/zinc/45/14/43/646451443.db2.gz CBEPKXSQUYYCQR-CMPLNLGQSA-N 3 0 225.380 1.105 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)C12CCC2 ZINC000925726073 646452333 /nfs/dbraw/zinc/45/23/33/646452333.db2.gz PWYVSWQVEBVWLC-ISCIKXKRSA-N 2 0 248.370 1.269 20 0 BDADRP C[C@H](N)[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccccc1 ZINC000925729238 646453547 /nfs/dbraw/zinc/45/35/47/646453547.db2.gz ZHEBSTXFQFSEGY-VTPLQMEGSA-N 2 0 233.359 1.402 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1C=CCC1 ZINC000925729886 646454370 /nfs/dbraw/zinc/45/43/70/646454370.db2.gz AFNPWFAVROFPTD-QNWHQSFQSA-N 2 0 224.348 1.295 20 0 BDADRP CC(C)([NH3+])CCN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925737354 646461106 /nfs/dbraw/zinc/46/11/06/646461106.db2.gz NBPUNJJUQYNGKW-GRYCIOLGSA-N 3 0 239.407 1.480 20 0 BDADRP CCC1([NH3+])CCN([C@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000925758506 646466198 /nfs/dbraw/zinc/46/61/98/646466198.db2.gz CCYQBLQBTXIXOP-NEPJUHHUSA-N 2 0 225.380 1.330 20 0 BDADRP CCC1([NH3+])CCN([C@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000925761199 646466332 /nfs/dbraw/zinc/46/63/32/646466332.db2.gz VJAKSVJTYSACIX-CHWSQXEVSA-N 2 0 239.407 1.720 20 0 BDADRP CCC1([NH3+])CCN([C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925761500 646466740 /nfs/dbraw/zinc/46/67/40/646466740.db2.gz WCWRYOBNPUYXKC-LLVKDONJSA-N 2 0 225.380 1.330 20 0 BDADRP CCC1([NH3+])CCN([C@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000925761201 646466770 /nfs/dbraw/zinc/46/67/70/646466770.db2.gz VJAKSVJTYSACIX-OLZOCXBDSA-N 2 0 239.407 1.720 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)[C@@H]1CCCOC1 ZINC000925770412 646471202 /nfs/dbraw/zinc/47/12/02/646471202.db2.gz SYOZPSRLIDWIKG-CRWXNKLISA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000925786683 646482558 /nfs/dbraw/zinc/48/25/58/646482558.db2.gz UINZTBUQTWAADK-WBMYTEFPSA-N 2 0 231.343 1.329 20 0 BDADRP CC[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CCOC1 ZINC000925795715 646487565 /nfs/dbraw/zinc/48/75/65/646487565.db2.gz IDHFIVDXCOGLRN-MQYQWHSLSA-N 2 0 240.391 1.637 20 0 BDADRP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000925824196 646496688 /nfs/dbraw/zinc/49/66/88/646496688.db2.gz RBWPFAUPFTXOQU-RXGFPQBGSA-N 2 0 208.349 1.763 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000925824933 646498104 /nfs/dbraw/zinc/49/81/04/646498104.db2.gz XATZEJYOWFJXLL-UHTWSYAYSA-N 2 0 226.364 1.661 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000925832427 646500609 /nfs/dbraw/zinc/50/06/09/646500609.db2.gz PPPYDECMORAQQY-UTINFBMNSA-N 2 0 236.281 1.902 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]C[C@]23CCC[C@H]2OCC3)C1 ZINC000925833474 646503259 /nfs/dbraw/zinc/50/32/59/646503259.db2.gz QQFFCZPJZQCTEL-IGQOVBAYSA-N 2 0 238.375 1.805 20 0 BDADRP C[C@@H](CCCCO)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925845009 646507512 /nfs/dbraw/zinc/50/75/12/646507512.db2.gz JRVYDYJILVXRGC-BFHYXJOUSA-N 2 0 240.391 1.659 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000925856716 646511050 /nfs/dbraw/zinc/51/10/50/646511050.db2.gz KRBXSTDJCVURSW-AGIUHOORSA-N 2 0 228.380 1.515 20 0 BDADRP CCC[C@@H](O)CC[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000925860510 646513610 /nfs/dbraw/zinc/51/36/10/646513610.db2.gz ZBTAPFMOUPMIPE-UPJWGTAASA-N 2 0 228.380 1.658 20 0 BDADRP COC[C@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)C(C)C ZINC000925874149 646523760 /nfs/dbraw/zinc/52/37/60/646523760.db2.gz OUHCTNFYGZGFIB-AGIUHOORSA-N 2 0 228.380 1.635 20 0 BDADRP COC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000925873661 646524850 /nfs/dbraw/zinc/52/48/50/646524850.db2.gz LXXSVPSENCESGW-HABKJSAYSA-N 2 0 240.391 1.778 20 0 BDADRP COC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[NH3+])C(C)C ZINC000925874707 646525660 /nfs/dbraw/zinc/52/56/60/646525660.db2.gz UTYLRLISTRQMQU-SDDRHHMPSA-N 2 0 214.353 1.374 20 0 BDADRP CCOCCOCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000925875327 646525906 /nfs/dbraw/zinc/52/59/06/646525906.db2.gz QUSYGKUAOXXFJO-STQMWFEESA-N 2 0 244.379 1.017 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cnccn1 ZINC000925877113 646527928 /nfs/dbraw/zinc/52/79/28/646527928.db2.gz LOMVVAFBCDAAJU-AXFHLTTASA-N 2 0 220.320 1.255 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccn(C)n1 ZINC000925880082 646528811 /nfs/dbraw/zinc/52/88/11/646528811.db2.gz NOJRKGQPNAAZAE-MXWKQRLJSA-N 2 0 222.336 1.198 20 0 BDADRP C[C@H](N)[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000925879415 646528969 /nfs/dbraw/zinc/52/89/69/646528969.db2.gz DLDRNCCOOGWOBU-MYZSUADSSA-N 2 0 247.386 1.792 20 0 BDADRP COC1CCC([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000925883389 646532747 /nfs/dbraw/zinc/53/27/47/646532747.db2.gz VYQHPOHWZHFGJD-IALDZJHCSA-N 2 0 226.364 1.661 20 0 BDADRP [NH3+]C1CCC([NH2+]C2([C@H]3CCCCO3)CC2)CC1 ZINC000925892812 646535411 /nfs/dbraw/zinc/53/54/11/646535411.db2.gz FIZBSPPTAJDVKV-WXRRBKDZSA-N 2 0 238.375 1.948 20 0 BDADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccnnc1 ZINC000926113017 646575375 /nfs/dbraw/zinc/57/53/75/646575375.db2.gz ADHKSKUWXYAEGW-GFCCVEGCSA-N 2 0 248.374 1.859 20 0 BDADRP C[NH+](C)CCOCC[NH2+]C1CC2(C1)CCCC2 ZINC000926252783 646604156 /nfs/dbraw/zinc/60/41/56/646604156.db2.gz CVKYZJORPKDNCF-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)Cc1ccccn1)C[NH+](C)C ZINC000926476263 646653875 /nfs/dbraw/zinc/65/38/75/646653875.db2.gz ZGLWVQSJUWDBGG-OLZOCXBDSA-N 2 0 235.375 1.800 20 0 BDADRP Cc1ncsc1C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723889978 711544202 /nfs/dbraw/zinc/54/42/02/711544202.db2.gz CHFPULBWVAKWIW-MWLCHTKSSA-N 2 0 239.388 1.868 20 0 BDADRP CC(C)C[C@H](CN[C@H]1CCC[NH2+][C@@H]1C)[NH+](C)C ZINC000396621599 711702681 /nfs/dbraw/zinc/70/26/81/711702681.db2.gz VACIYSUPMUVEGZ-MCIONIFRSA-N 2 0 241.423 1.693 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@H]1COCC1(C)C ZINC000313051186 711712717 /nfs/dbraw/zinc/71/27/17/711712717.db2.gz QYHVZEGSRMRAIC-NSHDSACASA-N 2 0 214.353 1.343 20 0 BDADRP CCOCCOCC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000925875559 711761627 /nfs/dbraw/zinc/76/16/27/711761627.db2.gz UNXVYZQFBFTMMQ-QWHCGFSZSA-N 2 0 244.379 1.289 20 0 BDADRP COC[C@H](C[N@@H+]1CCC[C@H](CC[NH3+])C1)C(C)C ZINC000721965237 711845247 /nfs/dbraw/zinc/84/52/47/711845247.db2.gz YSLBHDNDSHAISQ-KGLIPLIRSA-N 2 0 242.407 1.966 20 0 BDADRP C[C@H](F)CC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000702613123 712057057 /nfs/dbraw/zinc/05/70/57/712057057.db2.gz YMGFUPNVCBAUBK-KUYXLPFXSA-N 2 0 212.312 1.321 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CCSC1)[C@@H]1CC[NH2+]C1 ZINC000704777967 712116489 /nfs/dbraw/zinc/11/64/89/712116489.db2.gz WLSIYADWASTHER-QJPTWQEYSA-N 2 0 228.405 1.717 20 0 BDADRP C(C[C@H]1CCSC1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000704812829 712118283 /nfs/dbraw/zinc/11/82/83/712118283.db2.gz CRQQJCASRUCMKS-NWDGAFQWSA-N 2 0 228.405 1.861 20 0 BDADRP CSC1CC([NH2+][C@H](C)CC[NH+](C)C)C1 ZINC000706775956 712155535 /nfs/dbraw/zinc/15/55/35/712155535.db2.gz NRGIFJFQGIEACP-KPPDAEKUSA-N 2 0 216.394 1.810 20 0 BDADRP C[NH+](C)C1(C)CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000709799392 712227171 /nfs/dbraw/zinc/22/71/71/712227171.db2.gz AQRPEHSBSREFOT-LBPRGKRZSA-N 2 0 226.364 1.173 20 0 BDADRP Cc1cc(C[N@H+](C)CCCCCC[NH3+])nn1C ZINC000710800087 712257246 /nfs/dbraw/zinc/25/72/46/712257246.db2.gz SDVQLTNBIZXGGP-UHFFFAOYSA-N 2 0 238.379 1.679 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923479442 712334697 /nfs/dbraw/zinc/33/46/97/712334697.db2.gz OXGISVTZDVYDKM-TUAOUCFPSA-N 2 0 212.337 1.082 20 0 BDADRP CCN1CC[C@H]1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000712584457 712434300 /nfs/dbraw/zinc/43/43/00/712434300.db2.gz BCGNNZYUPSELFF-AWEZNQCLSA-N 2 0 239.407 1.543 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CN1C[C@H]1CCCC(C)(C)O1 ZINC000714330296 712482425 /nfs/dbraw/zinc/48/24/25/712482425.db2.gz MBZLYBGISDQASX-IJLUTSLNSA-N 2 0 226.364 1.756 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CN1C[C@H]1CCCC(C)(C)O1 ZINC000714330295 712482084 /nfs/dbraw/zinc/48/20/84/712482084.db2.gz MBZLYBGISDQASX-GRYCIOLGSA-N 2 0 226.364 1.756 20 0 BDADRP C[N@H+](CC[C@@H]1C[C@H]1C1CC1)C1CC([NH3+])C1 ZINC000714801118 712498590 /nfs/dbraw/zinc/49/85/90/712498590.db2.gz MWRIWLRKOPSTDX-XVSSEFHLSA-N 2 0 208.349 1.844 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2COCC2(C)C)C1 ZINC000715540131 712526501 /nfs/dbraw/zinc/52/65/01/712526501.db2.gz DLGXKZJESMFLSC-JHJVBQTASA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000037485312 712650903 /nfs/dbraw/zinc/65/09/03/712650903.db2.gz SRLYDIZYWIIABP-MNOVXSKESA-N 2 0 208.349 1.859 20 0 BDADRP CC(C)C[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720874203 712873545 /nfs/dbraw/zinc/87/35/45/712873545.db2.gz WSGJTCHDZYFEGV-IUCAKERBSA-N 2 0 224.270 1.711 20 0 BDADRP C[C@H]([NH2+]CC1(C)CC(F)(F)C1)C1C[NH2+]C1 ZINC000720929730 712879338 /nfs/dbraw/zinc/87/93/38/712879338.db2.gz XVBFVZODBQTWAN-QMMMGPOBSA-N 2 0 218.291 1.619 20 0 BDADRP C[C@H]1CC[C@H]1[NH2+]CCCC[NH+]1CCOCC1 ZINC000381524191 710650517 /nfs/dbraw/zinc/65/05/17/710650517.db2.gz VXDSOXFMIWLRAQ-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CCSC2)C[C@H]1CC[NH3+] ZINC000723887718 710732612 /nfs/dbraw/zinc/73/26/12/710732612.db2.gz PXBCIGALEAAARM-IJLUTSLNSA-N 2 0 228.405 1.656 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@H]2CSC2(C)C)CC1 ZINC000393851076 710810679 /nfs/dbraw/zinc/81/06/79/710810679.db2.gz XELVRDJFWGTVIZ-LLVKDONJSA-N 2 0 228.405 1.812 20 0 BDADRP CO[C@H](CN[C@@H]1CCC[NH2+][C@H]1C)C(C)C ZINC000396706581 710907190 /nfs/dbraw/zinc/90/71/90/710907190.db2.gz NISLZVCLNSWTGT-QJPTWQEYSA-N 2 0 214.353 1.388 20 0 BDADRP CC1(C)CC[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000380594746 712901784 /nfs/dbraw/zinc/90/17/84/712901784.db2.gz TUQPVZGRPNZNFF-LBPRGKRZSA-N 2 0 225.380 1.188 20 0 BDADRP [NH3+]C1CC([NH2+]Cc2ccc(OC(F)F)cc2)C1 ZINC000133151353 710967719 /nfs/dbraw/zinc/96/77/19/710967719.db2.gz XDXUXILOVNXNSP-UHFFFAOYSA-N 2 0 242.269 1.867 20 0 BDADRP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H](C)O ZINC000386796075 711036438 /nfs/dbraw/zinc/03/64/38/711036438.db2.gz PFZSUTHMTQJBBA-OFIBSPLFSA-N 2 0 226.364 1.361 20 0 BDADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cnccn1 ZINC000387384720 711042744 /nfs/dbraw/zinc/04/27/44/711042744.db2.gz ZBLXWRQELXOOKC-UHFFFAOYSA-N 2 0 236.363 1.687 20 0 BDADRP CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C(C)C ZINC000389600486 711082485 /nfs/dbraw/zinc/08/24/85/711082485.db2.gz UFOXCOKFSIUXOM-GFCCVEGCSA-N 2 0 216.369 1.418 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCOC2CCC2)CC[N@@H+]1C ZINC000390593258 711128600 /nfs/dbraw/zinc/12/86/00/711128600.db2.gz ZUWWFTUNGIMEIT-NEPJUHHUSA-N 2 0 226.364 1.628 20 0 BDADRP [NH3+]C[C@H]1CCC[N@H+](CCOCc2ccccc2)C1 ZINC000390702257 711132441 /nfs/dbraw/zinc/13/24/41/711132441.db2.gz AEUVDMSMCXTEEX-OAHLLOKOSA-N 2 0 248.370 1.874 20 0 BDADRP C[N@H+]1CC=C(CNC(=[NH2+])NC(C)(C)C)CC1 ZINC000392811051 711151769 /nfs/dbraw/zinc/15/17/69/711151769.db2.gz HEUGAJNXSPRZPW-UHFFFAOYSA-N 2 0 224.352 1.161 20 0 BDADRP Cc1ncccc1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000393795194 711174553 /nfs/dbraw/zinc/17/45/53/711174553.db2.gz IJYIKOWGHMHXCZ-LBPRGKRZSA-N 2 0 219.332 1.561 20 0 BDADRP C[C@H]1[NH2+]CCC[C@@H]1NCC[NH+]1CCCCCC1 ZINC000396596566 711354412 /nfs/dbraw/zinc/35/44/12/711354412.db2.gz LTWQDAGFJZFYFO-KGLIPLIRSA-N 2 0 239.407 1.593 20 0 BDADRP C[C@H](CN[C@H]1CCC[NH2+][C@H]1C)C[NH+]1CCCC1 ZINC000396597881 711355859 /nfs/dbraw/zinc/35/58/59/711355859.db2.gz MDVSVENYXJBLLR-RDBSUJKOSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1NCC1([NH+](C)C)CCCC1 ZINC000396585979 711357504 /nfs/dbraw/zinc/35/75/04/711357504.db2.gz HQQQTOMYYBEOLN-STQMWFEESA-N 2 0 239.407 1.591 20 0 BDADRP C[C@H](CCO)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000381494455 710646793 /nfs/dbraw/zinc/64/67/93/710646793.db2.gz ZQKPCTGJYKOZIA-PNESKVBLSA-N 2 0 226.364 1.364 20 0 BDADRP COC[C@H](C[NH+]1CCC(C[NH3+])CC1)C(C)C ZINC000721915388 710690858 /nfs/dbraw/zinc/69/08/58/710690858.db2.gz UPTOTRBHPPSPDC-ZDUSSCGKSA-N 2 0 228.380 1.576 20 0 BDADRP C[C@@H]1C[C@H](C)CC[N@H+](CCOCC[NH3+])C1 ZINC000723781664 710730876 /nfs/dbraw/zinc/73/08/76/710730876.db2.gz FNONSPMTDLXQDC-VXGBXAGGSA-N 2 0 214.353 1.330 20 0 BDADRP C[C@H](CC(C)(C)O)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000385070813 711004186 /nfs/dbraw/zinc/00/41/86/711004186.db2.gz VRMIHODGBDFBNC-HDLKOFKZSA-N 2 0 238.375 1.122 20 0 BDADRP C(CC1CC1)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000394487074 711194136 /nfs/dbraw/zinc/19/41/36/711194136.db2.gz IGLJZTWOXYHXQK-QWHCGFSZSA-N 2 0 208.349 1.860 20 0 BDADRP C[C@H]1[NH2+]CCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000396686232 711364977 /nfs/dbraw/zinc/36/49/77/711364977.db2.gz YHCAMVUJHRIQTE-RKFYDKJMSA-N 2 0 237.391 1.342 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](CCCCCCO)C[C@H]1C[NH3+] ZINC000397302712 711381442 /nfs/dbraw/zinc/38/14/42/711381442.db2.gz LDRXSKAWULCUKC-HZSPNIEDSA-N 2 0 242.407 1.844 20 0 BDADRP C[C@H]1CN(CCC[NH2+]C2CC2)CC(C)(C)O1 ZINC000045706593 711488221 /nfs/dbraw/zinc/48/82/21/711488221.db2.gz MZFVVFCGIGNTJY-NSHDSACASA-N 2 0 226.364 1.628 20 0 BDADRP CO[C@@H]1C[C@@H]([NH2+]C[C@H](C)N(C)C)C12CCC2 ZINC000308355277 711517018 /nfs/dbraw/zinc/51/70/18/711517018.db2.gz YSEYIKAAWGKBNP-QJPTWQEYSA-N 2 0 226.364 1.484 20 0 BDADRP C([NH2+][C@H]1CC[C@H]2COCC[C@@H]2C1)C1C[NH2+]C1 ZINC000723638326 711528982 /nfs/dbraw/zinc/52/89/82/711528982.db2.gz WKOMUAIPEFOPFO-AGIUHOORSA-N 2 0 224.348 1.001 20 0 BDADRP C1CC([NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)CC[NH2+]1 ZINC000723648564 711530389 /nfs/dbraw/zinc/53/03/89/711530389.db2.gz VROGWZWZKJEUOG-OUCADQQQSA-N 2 0 238.375 1.533 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000723648947 711530628 /nfs/dbraw/zinc/53/06/28/711530628.db2.gz XJLDUKOOEJTXHC-YIYPIFLZSA-N 2 0 240.391 1.909 20 0 BDADRP CC(C)n1nccc1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723679392 711533843 /nfs/dbraw/zinc/53/38/43/711533843.db2.gz BSSQBUWQENQVGA-GFCCVEGCSA-N 2 0 236.363 1.635 20 0 BDADRP CC(C)[C@@H](CNC1=[NH+]C[C@@H](C)N1)[NH+]1CCCC1 ZINC000848984112 711587437 /nfs/dbraw/zinc/58/74/37/711587437.db2.gz PIZMEKPMBBZAOJ-VXGBXAGGSA-N 2 0 238.379 1.044 20 0 BDADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000157515672 711624675 /nfs/dbraw/zinc/62/46/75/711624675.db2.gz BNSJNLZTBZEVFY-AAEUAGOBSA-N 2 0 241.379 1.008 20 0 BDADRP c1cc(CCN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)cs1 ZINC000383369817 711644775 /nfs/dbraw/zinc/64/47/75/711644775.db2.gz YIFAIUMBVQUVOH-QSLWVIQJSA-N 2 0 248.395 1.877 20 0 BDADRP CC[C@H]1C[N@H+](C[C@H]2C[C@@H](OC)C2)CC[C@@H]1[NH3+] ZINC000721910749 711694306 /nfs/dbraw/zinc/69/43/06/711694306.db2.gz YLSAMDBBCMMBOZ-RVMXOQNASA-N 2 0 226.364 1.471 20 0 BDADRP [NH3+]CCC[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccccc1 ZINC000925700946 711710543 /nfs/dbraw/zinc/71/05/43/711710543.db2.gz XQFWMKTZCICUAX-LSDHHAIUSA-N 3 0 247.386 1.794 20 0 BDADRP C[C@H]1NCCC[C@H]1[NH2+]CCCCCC[NH3+] ZINC000925711355 711711424 /nfs/dbraw/zinc/71/14/24/711711424.db2.gz MUEKDYJCQJPCDP-VXGBXAGGSA-N 2 0 213.369 1.236 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[NH2+]C12CCCC2 ZINC000925718009 711713755 /nfs/dbraw/zinc/71/37/55/711713755.db2.gz FMHRBZSNMBFFEE-YNEHKIRRSA-N 2 0 237.391 1.391 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[C@H](C3CC3)O2)C1 ZINC000722316501 711735219 /nfs/dbraw/zinc/73/52/19/711735219.db2.gz RYIRCYTWMIZRFU-XJFOESAGSA-N 2 0 238.375 1.804 20 0 BDADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCCCCCO)C2 ZINC000310158597 711747916 /nfs/dbraw/zinc/74/79/16/711747916.db2.gz QSAYKEFYWOBZMX-KBPBESRZSA-N 2 0 240.391 1.600 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CCCC12CCOCC2 ZINC000925787597 711751090 /nfs/dbraw/zinc/75/10/90/711751090.db2.gz YINVSHOXYYRVAD-UPJWGTAASA-N 2 0 238.375 1.533 20 0 BDADRP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879736 711761892 /nfs/dbraw/zinc/76/18/92/711761892.db2.gz JJFBTOQWKTXINT-NTZNESFSSA-N 2 0 248.374 1.515 20 0 BDADRP c1ccc2c(c1)CCO[C@@H]2CCN[C@@H]1CC[NH2+]C1 ZINC000925879584 711762047 /nfs/dbraw/zinc/76/20/47/711762047.db2.gz ABLVSHYPIHZQJM-UKRRQHHQSA-N 2 0 246.354 1.642 20 0 BDADRP COC[C@@H](C[N@@H+]1CCC[C@H](C[NH3+])C1)C(C)C ZINC000721916466 711918701 /nfs/dbraw/zinc/91/87/01/711918701.db2.gz XMKTYMMDOILBNG-CHWSQXEVSA-N 2 0 228.380 1.576 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@@H](CC[NH3+])C2)C1 ZINC000721926794 711937804 /nfs/dbraw/zinc/93/78/04/711937804.db2.gz INUOLFHLWQDZTH-RWMBFGLXSA-N 2 0 226.364 1.472 20 0 BDADRP CC[C@H](C)[C@@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000721936165 711940501 /nfs/dbraw/zinc/94/05/01/711940501.db2.gz AABNLOCCSULNND-NWDGAFQWSA-N 2 0 227.396 1.434 20 0 BDADRP C[C@H](C[C@@H]1CCOC1)[NH2+]CC[C@@H](C)[NH+](C)C ZINC000700602500 712000439 /nfs/dbraw/zinc/00/04/39/712000439.db2.gz BJQNMGNIWMTQSW-UPJWGTAASA-N 2 0 228.380 1.731 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@@H]3COC[C@H]3C2)C1 ZINC000702076683 712037988 /nfs/dbraw/zinc/03/79/88/712037988.db2.gz FKNSXCFWUMYXKF-UMSGYPCISA-N 2 0 224.348 1.082 20 0 BDADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCCCCF)C2 ZINC000702124764 712039502 /nfs/dbraw/zinc/03/95/02/712039502.db2.gz HVJNFKVSTNCLCF-NWDGAFQWSA-N 2 0 214.328 1.668 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]CCC2CC(O)C2)C12CCC2 ZINC000702450209 712053597 /nfs/dbraw/zinc/05/35/97/712053597.db2.gz LLCWNXUHFCGIFW-MMVSWEMESA-N 2 0 224.348 1.007 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH2+]C2CCC(C)(O)CC2)C1 ZINC000703018669 712065332 /nfs/dbraw/zinc/06/53/32/712065332.db2.gz ZDSKVMVVDWORCD-HSBZDZAISA-N 2 0 240.391 1.611 20 0 BDADRP COC1CC(C[N@H+](C)C2CCC([NH3+])CC2)C1 ZINC000703299712 712071461 /nfs/dbraw/zinc/07/14/61/712071461.db2.gz BCONADNOVOUYDR-UHFFFAOYSA-N 2 0 226.364 1.613 20 0 BDADRP C[N@@H+](Cc1cccc(F)c1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000703614379 712081104 /nfs/dbraw/zinc/08/11/04/712081104.db2.gz AHIBHDWTWTUGCW-BJHJDKERSA-N 2 0 222.307 1.995 20 0 BDADRP C[C@H]([NH2+]C1CCC(C)(O)CC1)[C@H]1CCC[NH2+]C1 ZINC000703614200 712081535 /nfs/dbraw/zinc/08/15/35/712081535.db2.gz LWFBEQQJRVPNPZ-FEPKRQSRSA-N 2 0 240.391 1.658 20 0 BDADRP C[C@H]1COCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000703892419 712092946 /nfs/dbraw/zinc/09/29/46/712092946.db2.gz AQSNINWSWBKJPP-WODVXLOZSA-N 2 0 224.348 1.238 20 0 BDADRP CC1([NH3+])CC[NH+](C[C@H](O)CC2CCCC2)CC1 ZINC000704581223 712112953 /nfs/dbraw/zinc/11/29/53/712112953.db2.gz LCCZSGOESALRMD-CYBMUJFWSA-N 2 0 240.391 1.741 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CC[C@@H]2CCSC2)C12CCC2 ZINC000704891581 712121082 /nfs/dbraw/zinc/12/10/82/712121082.db2.gz RLGWPPCEZCZREB-UTUOFQBUSA-N 2 0 240.416 1.989 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+]C2CC(SC)C2)C1 ZINC000706895338 712159667 /nfs/dbraw/zinc/15/96/67/712159667.db2.gz BTEQUBHOUSJMAG-VOMCLLRMSA-N 2 0 228.405 1.812 20 0 BDADRP CCOC[C@@H]1CC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000707525829 712171918 /nfs/dbraw/zinc/17/19/18/712171918.db2.gz UAPFHVKRKRXLPP-UONOGXRCSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)CC[C@H]1C[NH3+] ZINC000708352839 712189785 /nfs/dbraw/zinc/18/97/85/712189785.db2.gz DKODLEKSQVYTJW-AGIUHOORSA-N 2 0 240.391 1.718 20 0 BDADRP CC[C@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000708390166 712191676 /nfs/dbraw/zinc/19/16/76/712191676.db2.gz QOMQXTGLBKHLGW-YFKTTZPYSA-N 2 0 212.337 1.223 20 0 BDADRP Cc1ccccc1OCC[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708841596 712200636 /nfs/dbraw/zinc/20/06/36/712200636.db2.gz UFHSLZLURUIKSD-ZIAGYGMSSA-N 2 0 248.370 1.900 20 0 BDADRP C[C@@H]1C[N@H+](CCSC(F)(F)F)C[C@H]1C[NH3+] ZINC000708862194 712201036 /nfs/dbraw/zinc/20/10/36/712201036.db2.gz NLCMCBPIMONZPK-HTQZYQBOSA-N 2 0 242.310 1.766 20 0 BDADRP CCC[C@@H](O)C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000709802294 712227189 /nfs/dbraw/zinc/22/71/89/712227189.db2.gz UTNCQBWJHXGEJH-GFCCVEGCSA-N 2 0 228.380 1.564 20 0 BDADRP [NH3+]C[C@@H]1C[N@H+](CCCF)C[C@H]1C(F)(F)F ZINC000709795147 712227644 /nfs/dbraw/zinc/22/76/44/712227644.db2.gz PMKWGCKTUJOKQS-HTQZYQBOSA-N 2 0 228.233 1.415 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CCc1ccns1 ZINC000709823950 712228782 /nfs/dbraw/zinc/22/87/82/712228782.db2.gz BAFDAWVWTPJRSA-JTQLQIEISA-N 2 0 243.376 1.029 20 0 BDADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCC1CC1)C2 ZINC000709862387 712230035 /nfs/dbraw/zinc/23/00/35/712230035.db2.gz NCQGKIHULRUCMY-XQQFMLRXSA-N 2 0 208.349 1.988 20 0 BDADRP OCCCCCC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709998218 712238925 /nfs/dbraw/zinc/23/89/25/712238925.db2.gz XIXJNVFUABUDCO-AWEZNQCLSA-N 2 0 240.391 1.615 20 0 BDADRP C[C@@H](CC1CCC1)[NH2+]CCN1CCC([NH3+])CC1 ZINC000710274325 712250185 /nfs/dbraw/zinc/25/01/85/712250185.db2.gz AQTOMKWFWQDEEQ-LBPRGKRZSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@@H](C(=O)NC1CC1)[N@H+](C)CCCCCC[NH3+] ZINC000710752261 712256749 /nfs/dbraw/zinc/25/67/49/712256749.db2.gz XZUUNQKKVPHACN-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP CC[C@H](C)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710642691 712264745 /nfs/dbraw/zinc/26/47/45/712264745.db2.gz RFBVUVBQVJSSET-LBPRGKRZSA-N 2 0 228.380 1.421 20 0 BDADRP CC(C)CCC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710662653 712265449 /nfs/dbraw/zinc/26/54/49/712265449.db2.gz BXBPSBNQYZYOPG-UHFFFAOYSA-N 2 0 242.407 1.811 20 0 BDADRP FC[C@@H]1CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000711450762 712301534 /nfs/dbraw/zinc/30/15/34/712301534.db2.gz BWOXMBLFPUYTTO-NWDGAFQWSA-N 2 0 214.328 1.668 20 0 BDADRP FC[C@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000711452124 712302071 /nfs/dbraw/zinc/30/20/71/712302071.db2.gz FWHKGUFRILZUTO-ODWCKFRGSA-N 2 0 226.339 1.808 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H](CF)C2)CC[NH2+]1 ZINC000711467086 712302456 /nfs/dbraw/zinc/30/24/56/712302456.db2.gz SIGXCGTWOFYKRH-WOPDTQHZSA-N 2 0 214.328 1.666 20 0 BDADRP FC[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000711452231 712302479 /nfs/dbraw/zinc/30/24/79/712302479.db2.gz GTLBKXIOAPUGRX-LLVKDONJSA-N 2 0 200.301 1.277 20 0 BDADRP FC[C@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000711451352 712302515 /nfs/dbraw/zinc/30/25/15/712302515.db2.gz CNQGBRWEIYJIPB-GHMZBOCLSA-N 2 0 200.301 1.277 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000711471728 712302922 /nfs/dbraw/zinc/30/29/22/712302922.db2.gz UWDUGUXLWWKJGH-NEPJUHHUSA-N 2 0 224.348 1.369 20 0 BDADRP CC[C@@H]1C[N@H+](CCOC2CC2)CC[C@H]1[NH3+] ZINC000711731117 712320274 /nfs/dbraw/zinc/32/02/74/712320274.db2.gz MAERFDKLNGBMDP-ZYHUDNBSSA-N 2 0 212.337 1.225 20 0 BDADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCOC1CC1)C2 ZINC000711758505 712325930 /nfs/dbraw/zinc/32/59/30/712325930.db2.gz JMEBWYDHUQLNEM-AAEUAGOBSA-N 2 0 224.348 1.226 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@H](CC[NH3+])C1)C1CCC1 ZINC000923480294 712334225 /nfs/dbraw/zinc/33/42/25/712334225.db2.gz WPSMGCRHCKTCOV-WCQYABFASA-N 2 0 226.364 1.472 20 0 BDADRP C[C@H](c1ncccn1)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923479448 712334584 /nfs/dbraw/zinc/33/45/84/712334584.db2.gz PBCSEKUUSRAOMI-GHMZBOCLSA-N 2 0 220.320 1.208 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCCCCCC1 ZINC000383671240 712383856 /nfs/dbraw/zinc/38/38/56/712383856.db2.gz OGDIYBWNRDZEAW-CQSZACIVSA-N 2 0 242.407 1.954 20 0 BDADRP C[C@@]1(C[NH3+])CC[N@H+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000712437757 712429780 /nfs/dbraw/zinc/42/97/80/712429780.db2.gz KMTXIOMAPWBPQT-OLZOCXBDSA-N 2 0 238.375 1.759 20 0 BDADRP C[N@H+](C[C@@H]1CCC2(CCC2)O1)C1CC([NH3+])C1 ZINC000712489901 712431025 /nfs/dbraw/zinc/43/10/25/712431025.db2.gz XEDVQSOBJAIODC-MCIGGMRASA-N 2 0 224.348 1.510 20 0 BDADRP C(C[N@@H+]1CC[NH2+]CCC12CCC2)[C@@H]1CCCO1 ZINC000713219047 712455213 /nfs/dbraw/zinc/45/52/13/712455213.db2.gz XEEPRVLJJVERCB-ZDUSSCGKSA-N 2 0 238.375 1.774 20 0 BDADRP CC1(C)CC[C@H](C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)OC1 ZINC000713585566 712466332 /nfs/dbraw/zinc/46/63/32/712466332.db2.gz JTJCUVSMYUWJGE-FRRDWIJNSA-N 2 0 238.375 1.343 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000714602426 712488269 /nfs/dbraw/zinc/48/82/69/712488269.db2.gz CCAYYUCLEXBHLB-FIQHERPVSA-N 2 0 224.348 1.271 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](CCc2cccc(F)c2)C1 ZINC000036779715 712494956 /nfs/dbraw/zinc/49/49/56/712494956.db2.gz RWBKTJACXZVUNS-LBPRGKRZSA-N 2 0 222.307 1.649 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000714692780 712495667 /nfs/dbraw/zinc/49/56/67/712495667.db2.gz WBQHUEFPGDIOBM-RVMXOQNASA-N 2 0 226.364 1.484 20 0 BDADRP CCC1([NH3+])CC[NH+](C[C@H](C)COC)CC1 ZINC000714753152 712497360 /nfs/dbraw/zinc/49/73/60/712497360.db2.gz HOEUSIRNSZAXBS-NSHDSACASA-N 2 0 214.353 1.472 20 0 BDADRP C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)[C@@H]1C[C@H]1C1CC1 ZINC000714845495 712501940 /nfs/dbraw/zinc/50/19/40/712501940.db2.gz IFAQCISDUFCEKY-SYQHCUMBSA-N 2 0 220.360 1.574 20 0 BDADRP C[C@@H](CCO)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715229009 712513827 /nfs/dbraw/zinc/51/38/27/712513827.db2.gz QIIWDJOZOOKELA-HIFPTAJRSA-N 2 0 228.380 1.610 20 0 BDADRP [NH3+]C1CC[NH+](C[C@H]2CC[C@H](C3CC3)O2)CC1 ZINC000715483018 712520844 /nfs/dbraw/zinc/52/08/44/712520844.db2.gz QEGRLCDXMNURCZ-CHWSQXEVSA-N 2 0 224.348 1.367 20 0 BDADRP C[NH+](C)C1(C)CCC([NH2+]CCC[NH3+])CC1 ZINC000715489049 712523124 /nfs/dbraw/zinc/52/31/24/712523124.db2.gz BZBLIVONAYTGCU-UHFFFAOYSA-N 3 0 213.369 1.188 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)C1CC1 ZINC000715509654 712524263 /nfs/dbraw/zinc/52/42/63/712524263.db2.gz NWCWXGUUHZIJIW-MELADBBJSA-N 2 0 240.391 1.874 20 0 BDADRP CC[C@H](O)C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715572077 712529349 /nfs/dbraw/zinc/52/93/49/712529349.db2.gz JTTXREJXJOIQAF-CPCZMJQVSA-N 2 0 228.380 1.610 20 0 BDADRP CC[C@@H](C)[N@H+](C)CCNc1cc(C)[nH+]c(N)n1 ZINC000221241192 712658597 /nfs/dbraw/zinc/65/85/97/712658597.db2.gz VUGYCKOODKSNNW-SNVBAGLBSA-N 2 0 237.351 1.509 20 0 BDADRP CN(C[C@H](O)C[NH2+]C1(C2CC2)CCC1)C1CC1 ZINC000717820562 712681494 /nfs/dbraw/zinc/68/14/94/712681494.db2.gz WRGOPGFOGQOSPN-CYBMUJFWSA-N 2 0 238.375 1.364 20 0 BDADRP C[NH+](C)C1CCN(CC[NH2+]C(C)(C)C)CC1 ZINC000042302624 712720125 /nfs/dbraw/zinc/72/01/25/712720125.db2.gz UJIOGRWGSKMJIX-UHFFFAOYSA-N 2 0 227.396 1.401 20 0 BDADRP C[C@H]1OCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H]1C ZINC000717929234 712734811 /nfs/dbraw/zinc/73/48/11/712734811.db2.gz GWLLUBLTZDSTMF-QCNOEVLYSA-N 2 0 212.337 1.223 20 0 BDADRP C[C@@H]1C[N@H+](CCCC(C)(F)F)C[C@H]1C[NH3+] ZINC000718608701 712773160 /nfs/dbraw/zinc/77/31/60/712773160.db2.gz PWFRBWCFHIJPEH-NXEZZACHSA-N 2 0 220.307 1.948 20 0 BDADRP C[C@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000719720941 712822824 /nfs/dbraw/zinc/82/28/24/712822824.db2.gz GUZFSRXKASYOBI-FUDCBSFHSA-N 2 0 238.375 1.628 20 0 BDADRP C([C@H]1C[C@H]2CCC[C@H]2O1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000720866842 712871846 /nfs/dbraw/zinc/87/18/46/712871846.db2.gz DVDTVBRUSAZUDS-MBJXGIAVSA-N 2 0 236.359 1.095 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)C1 ZINC000720870794 712872099 /nfs/dbraw/zinc/87/20/99/712872099.db2.gz LPTZYMWRLUTZQS-IGQOVBAYSA-N 2 0 238.375 1.615 20 0 BDADRP CC(C)[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720869078 712872285 /nfs/dbraw/zinc/87/22/85/712872285.db2.gz CBAWWBCUWDSMBP-YUMQZZPRSA-N 2 0 210.243 1.464 20 0 BDADRP [NH3+]C[C@H]1C[N@H+](CCCF)C[C@@H]1C(F)(F)F ZINC000720872518 712873185 /nfs/dbraw/zinc/87/31/85/712873185.db2.gz PMKWGCKTUJOKQS-YUMQZZPRSA-N 2 0 228.233 1.415 20 0 BDADRP [NH3+]C[C@@H]1C[N@H+](CCCF)C[C@@H]1C(F)(F)F ZINC000720872515 712873471 /nfs/dbraw/zinc/87/34/71/712873471.db2.gz PMKWGCKTUJOKQS-SFYZADRCSA-N 2 0 228.233 1.415 20 0 BDADRP C[NH+](C)CC1(C[NH+]2CCC(O)CC2)CCCC1 ZINC001208182446 957067467 /nfs/dbraw/zinc/06/74/67/957067467.db2.gz UYJKIXDBXPJBPD-UHFFFAOYSA-N 2 0 240.391 1.565 20 0 BDADRP CCCO[C@@H]1CC[N@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208606172 957094872 /nfs/dbraw/zinc/09/48/72/957094872.db2.gz DHWJTZYDZJJNHZ-UONOGXRCSA-N 2 0 240.391 1.829 20 0 BDADRP COc1cc[nH+]c(N2CCC(C[NH+](C)C)CC2)c1 ZINC001165043036 721942691 /nfs/dbraw/zinc/94/26/91/721942691.db2.gz UAEIHTAZVRFMFW-UHFFFAOYSA-N 2 0 249.358 1.868 20 0 BDADRP C[C@H]1CC[C@H](NCC[NH+]2CCCCCC2)C[NH2+]1 ZINC000399006219 958483701 /nfs/dbraw/zinc/48/37/01/958483701.db2.gz YLRAHWJDZAPSCW-KBPBESRZSA-N 2 0 239.407 1.593 20 0 BDADRP C[C@H](C[NH2+][C@H](C)C(C)(C)CO)C[NH+](C)C ZINC000926473597 959274529 /nfs/dbraw/zinc/27/45/29/959274529.db2.gz MBSNQVGTFFPSKX-GHMZBOCLSA-N 2 0 216.369 1.181 20 0 BDADRP C[C@H]1CCN(CC[NH2+]CC2CC[NH+](C)CC2)C1 ZINC000692646124 960383258 /nfs/dbraw/zinc/38/32/58/960383258.db2.gz PYSKELJFUXVTNB-ZDUSSCGKSA-N 2 0 239.407 1.260 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000709391235 960554126 /nfs/dbraw/zinc/55/41/26/960554126.db2.gz NIARZCJYSANXPL-GCFWVWJCSA-N 2 0 224.348 1.427 20 0 BDADRP CCSC[C@H](C)[NH2+]C[C@H]1CC[N@H+](C)C1 ZINC000709481646 960618272 /nfs/dbraw/zinc/61/82/72/960618272.db2.gz HRGFIPQUGJZTIU-WDEREUQCSA-N 2 0 216.394 1.669 20 0 BDADRP C[C@@H]1C[C@@H](NCC[C@@H]2CCC[N@@H+]2C)CC[NH2+]1 ZINC000710408527 962378842 /nfs/dbraw/zinc/37/88/42/962378842.db2.gz FEKHPZJSEBVIAY-AGIUHOORSA-N 2 0 225.380 1.201 20 0 BDADRP C[NH+](C)C1CCC([NH2+]C[C@@H]2CCO2)CC1 ZINC001168297539 964394099 /nfs/dbraw/zinc/39/40/99/964394099.db2.gz BPRTWSPMPHFIKG-MCIGGMRASA-N 2 0 212.337 1.238 20 0 BDADRP C[C@H]1C[N@@H+](C2CCC([NH+](C)C)CC2)CC[C@H]1O ZINC001168313701 964416616 /nfs/dbraw/zinc/41/66/16/964416616.db2.gz GDQXETHIGICRHB-GFJIZPEISA-N 2 0 240.391 1.562 20 0 BDADRP CC(C)[NH+]1CC(Nc2ccnc(C[NH3+])c2)C1 ZINC001168313950 964413214 /nfs/dbraw/zinc/41/32/14/964413214.db2.gz HSXLIMIKYNZRTK-UHFFFAOYSA-N 2 0 220.320 1.045 20 0 BDADRP CN(C)[C@H]1CC[N@@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168315002 964427791 /nfs/dbraw/zinc/42/77/91/964427791.db2.gz KLDPFPFPQWRNJU-RUXDESIVSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@](C)(C(F)F)O1 ZINC000698774728 965498404 /nfs/dbraw/zinc/49/84/04/965498404.db2.gz MLTLMTXRILUAKD-GUDRVLHUSA-N 2 0 248.317 1.468 20 0 BDADRP CC(C)N(CCC[NH3+])c1ccc([C@H](C)[NH3+])nc1 ZINC001164128804 965749716 /nfs/dbraw/zinc/74/97/16/965749716.db2.gz JOCAAYKIVHISNQ-NSHDSACASA-N 2 0 236.363 1.665 20 0 BDADRP C[C@@H]1CC[C@H](N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C[NH2+]1 ZINC000715554814 967152880 /nfs/dbraw/zinc/15/28/80/967152880.db2.gz YGNGVQOOYYPSIO-YIYPIFLZSA-N 2 0 239.407 1.589 20 0 BDADRP [NH3+][C@@H]1CCCN(CC[C@H]2CCCC[NH2+]2)CC1 ZINC001205095346 967337798 /nfs/dbraw/zinc/33/77/98/967337798.db2.gz WYVJDYANBJQIHK-CHWSQXEVSA-N 2 0 225.380 1.332 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)CC[C@H]1C[NH3+] ZINC001205601621 967721393 /nfs/dbraw/zinc/72/13/93/967721393.db2.gz FKKMZYSTOKXDFO-MCIONIFRSA-N 3 0 239.407 1.293 20 0 BDADRP [NH3+]C[C@H]1CN(C[C@H]2CCCC[NH2+]2)CCC1(F)F ZINC001205734723 967807498 /nfs/dbraw/zinc/80/74/98/967807498.db2.gz GXZLERGBVQKDNX-WDEREUQCSA-N 2 0 247.333 1.044 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH3+])N(C[C@@H]2CCCC[NH2+]2)C1 ZINC001205806653 967829662 /nfs/dbraw/zinc/82/96/62/967829662.db2.gz VAGSKUDPQATUQQ-AGIUHOORSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@H+](CCCCCC[NH3+])CC1 ZINC001206296198 968200419 /nfs/dbraw/zinc/20/04/19/968200419.db2.gz QFTYCAHVDSDGQR-CQSZACIVSA-N 3 0 241.423 1.956 20 0 BDADRP [NH3+]C[C@H]1C[N@H+](CCCC2CCCCC2)C[C@@H]1O ZINC001206506801 968347873 /nfs/dbraw/zinc/34/78/73/968347873.db2.gz QIWGBMPDQRCERX-KBPBESRZSA-N 2 0 240.391 1.598 20 0 BDADRP C[C@H](CC[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1)CC(C)(C)C ZINC001206511841 968343223 /nfs/dbraw/zinc/34/32/23/968343223.db2.gz DKNSNPCGUNRRFR-AGIUHOORSA-N 2 0 242.407 1.700 20 0 BDADRP C[C@@]1(C[NH3+])CCCCN(C[C@H]2CCC[NH2+]2)C1 ZINC001206542118 968353955 /nfs/dbraw/zinc/35/39/55/968353955.db2.gz RTQBKTHBKJXWJS-OLZOCXBDSA-N 2 0 225.380 1.189 20 0 BDADRP Cc1ccc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)[nH]1 ZINC001206616938 968419311 /nfs/dbraw/zinc/41/93/11/968419311.db2.gz URRPJHZMTKTKKU-LBPRGKRZSA-N 2 0 221.348 1.884 20 0 BDADRP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]CC(C)(C)O)C1 ZINC001252365501 968645941 /nfs/dbraw/zinc/64/59/41/968645941.db2.gz WNTUVAOKEIFNMH-STQMWFEESA-N 2 0 242.407 1.715 20 0 BDADRP C[NH+](C)[C@H]1CC[C@@H]([NH2+]CC(C)(C)O)CC1 ZINC001252369946 968651581 /nfs/dbraw/zinc/65/15/81/968651581.db2.gz IMQSTLOXQOBVLJ-PHIMTYICSA-N 2 0 214.353 1.220 20 0 BDADRP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@H](O)CC1 ZINC001207275248 968705839 /nfs/dbraw/zinc/70/58/39/968705839.db2.gz LGRRWGDMFSKLTD-LBPRGKRZSA-N 2 0 228.380 1.421 20 0 BDADRP C[C@H]1C[C@@H](CO)[N@H+](CC2CC[NH+](C)CC2)C1 ZINC001207391343 968746455 /nfs/dbraw/zinc/74/64/55/968746455.db2.gz GZEONQAAHADGAD-AAEUAGOBSA-N 2 0 226.364 1.031 20 0 BDADRP CCO[C@@H]1CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC001207399316 968750054 /nfs/dbraw/zinc/75/00/54/968750054.db2.gz IBUFRBOIBFDRIQ-CYBMUJFWSA-N 2 0 226.364 1.439 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2C[C@H]3CC[C@@H]2C3)CC1 ZINC001207398737 968752690 /nfs/dbraw/zinc/75/26/90/968752690.db2.gz LSFAYSOXGKZEIQ-QWHCGFSZSA-N 2 0 208.349 1.813 20 0 BDADRP CC[N@H+](C[C@@H]1CCCOC1)C1CCN(C)CC1 ZINC001207468342 968787605 /nfs/dbraw/zinc/78/76/05/968787605.db2.gz OVSSNKSTKJTXPE-ZDUSSCGKSA-N 2 0 240.391 1.829 20 0 BDADRP C[NH+]1CCC(CC[N@@H+]2C[C@@H]3C[C@@H]3C2)CC1 ZINC001207482614 968798103 /nfs/dbraw/zinc/79/81/03/968798103.db2.gz ZCPVAWWSADCWMH-BETUJISGSA-N 2 0 208.349 1.670 20 0 BDADRP C[NH+]1CCC(CC[N@@H+]2CC[C@@](C)(O)C2)CC1 ZINC001207481757 968799794 /nfs/dbraw/zinc/79/97/94/968799794.db2.gz OEEZSZSEBFHLNC-CYBMUJFWSA-N 2 0 226.364 1.175 20 0 BDADRP COC[C@@H]1CC[N@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208108033 968987039 /nfs/dbraw/zinc/98/70/39/968987039.db2.gz NPOIRASKDHKEPR-CYBMUJFWSA-N 2 0 240.391 1.687 20 0 BDADRP CCC[C@@H](O)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001252804327 968993092 /nfs/dbraw/zinc/99/30/92/968993092.db2.gz KUXNDSLVNTYUDD-XJFOESAGSA-N 2 0 240.391 1.752 20 0 BDADRP C[N@H+](CC1(C)CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC001208116186 969005467 /nfs/dbraw/zinc/00/54/67/969005467.db2.gz PUCQERZYJGOFNI-ZDUSSCGKSA-N 2 0 240.391 1.829 20 0 BDADRP CC[NH+](CC)C[C@H](O)C[NH2+]C1CCC(F)CC1 ZINC001253175211 969098228 /nfs/dbraw/zinc/09/82/28/969098228.db2.gz GAQVAJGVNXYLKX-WXRRBKDZSA-N 2 0 246.370 1.559 20 0 BDADRP CC[NH+](CC)C[C@@H](O)C[N@H+](C)C[C@H]1CC1(C)C ZINC001253187800 969103563 /nfs/dbraw/zinc/10/35/63/969103563.db2.gz JFHMDJFVOLZXDG-OLZOCXBDSA-N 2 0 242.407 1.667 20 0 BDADRP CC[NH+]1CCC(C[N@H+](C)CC2(C)COC2)CC1 ZINC001208597080 969153048 /nfs/dbraw/zinc/15/30/48/969153048.db2.gz CDPXFTLZWGOHCQ-UHFFFAOYSA-N 2 0 240.391 1.687 20 0 BDADRP CC[NH+]1C[C@H]2C[NH+](CCC3CC3)C[C@@H]2C1 ZINC001208687132 969195823 /nfs/dbraw/zinc/19/58/23/969195823.db2.gz PVNQJDPDHCEOBC-STQMWFEESA-N 2 0 208.349 1.670 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@]1(C)CCOC1)C2 ZINC001169119306 969413508 /nfs/dbraw/zinc/41/35/08/969413508.db2.gz RASPPVHCKIYMGH-RNJOBUHISA-N 2 0 224.348 1.380 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+]C(C)(C)C(C)(C)O)CC1 ZINC001254510783 969678992 /nfs/dbraw/zinc/67/89/92/969678992.db2.gz QLFIRPCUTPTNJV-LLVKDONJSA-N 2 0 228.380 1.610 20 0 BDADRP COC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254504073 969676323 /nfs/dbraw/zinc/67/63/23/969676323.db2.gz SFTAFHWASRVAHI-UTUOFQBUSA-N 2 0 240.347 1.012 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH+]2CCC[C@@H](CO)CC2)CC1 ZINC001254516345 969690724 /nfs/dbraw/zinc/69/07/24/969690724.db2.gz LYTDQJPMNMCMPG-KGLIPLIRSA-N 2 0 240.391 1.565 20 0 BDADRP CC[NH+](CC)CCN(C)[C@H]1CCC[N@H+](C)CC1 ZINC001254515894 969690051 /nfs/dbraw/zinc/69/00/51/969690051.db2.gz GFWKTJTYCZDDCQ-AWEZNQCLSA-N 2 0 241.423 1.744 20 0 BDADRP C[C@@H]1CC[C@@H](CO)C[N@@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254517080 969695652 /nfs/dbraw/zinc/69/56/52/969695652.db2.gz RXZHOUIGHSHCMG-MGPQQGTHSA-N 2 0 240.391 1.564 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH+]2C[C@@H]3C[C@H]2C[C@H]3F)CC1 ZINC001254523519 969710211 /nfs/dbraw/zinc/71/02/11/969710211.db2.gz OTSBJTOMEHHNQU-ZDEQEGDKSA-N 2 0 226.339 1.903 20 0 BDADRP C[N@@H+]1CCN([C@@H]2CCC[NH+](C)CC2)CC1(C)C ZINC001254525746 969718959 /nfs/dbraw/zinc/71/89/59/969718959.db2.gz LUJHUKDNRFOLFV-CYBMUJFWSA-N 2 0 239.407 1.497 20 0 BDADRP CCCC[N@H+](C)CCC[NH2+]C1CCOCC1 ZINC001255030923 969855165 /nfs/dbraw/zinc/85/51/65/969855165.db2.gz ZJYPVKMKKFIWLO-UHFFFAOYSA-N 2 0 228.380 1.877 20 0 BDADRP CC[NH+](CC)[C@H]1CCN([C@H]2CC[N@H+](C)C2)C1 ZINC001255439037 970168326 /nfs/dbraw/zinc/16/83/26/970168326.db2.gz QCFHCBXYMUGWLN-STQMWFEESA-N 2 0 225.380 1.107 20 0 BDADRP C[N@@H+]1CCC[C@@H](N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001255487778 970238878 /nfs/dbraw/zinc/23/88/78/970238878.db2.gz VJWWTPFMBDANNO-CYBMUJFWSA-N 2 0 239.407 1.497 20 0 BDADRP COC[C@H](C)[N@H+](C)CC1CC[NH+](C)CC1 ZINC001255576473 970374212 /nfs/dbraw/zinc/37/42/12/970374212.db2.gz YVXUJZIDMXKPOO-NSHDSACASA-N 2 0 214.353 1.295 20 0 BDADRP [NH2+]=C(NCCCC[NH3+])NC1CCCCCC1 ZINC001255881090 970543071 /nfs/dbraw/zinc/54/30/71/970543071.db2.gz CDOJSGQHAWFFQD-UHFFFAOYSA-N 2 0 226.368 1.562 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]CCOCCOC ZINC001255947177 970581049 /nfs/dbraw/zinc/58/10/49/970581049.db2.gz PAPLBUQICMDYFZ-ZDUSSCGKSA-N 2 0 246.395 1.359 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]C[C@@H](O)C1CC1 ZINC001255949994 970583929 /nfs/dbraw/zinc/58/39/29/970583929.db2.gz DOQAPAAOPPONEM-WCQYABFASA-N 2 0 228.380 1.467 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@H]2CCOC2)CC[C@H]1C[NH3+] ZINC000400565732 970603652 /nfs/dbraw/zinc/60/36/52/970603652.db2.gz NVHIDDVEIKNTEV-AGIUHOORSA-N 2 0 226.364 1.330 20 0 BDADRP [NH3+]Cc1cnn(C2CC[NH+](C3CC3)CC2)c1 ZINC001256067102 970631062 /nfs/dbraw/zinc/63/10/62/970631062.db2.gz CJOSYIOUBKNYSZ-UHFFFAOYSA-N 2 0 220.320 1.141 20 0 BDADRP CC[NH+](CC)C1CCC([NH2+]CCCC[NH3+])CC1 ZINC001173101304 975022457 /nfs/dbraw/zinc/02/24/57/975022457.db2.gz FXYWJXOHZCBPBO-UHFFFAOYSA-N 3 0 241.423 1.968 20 0 BDADRP CCN1CC[C@@H]([NH2+]CCCC[NH+](CC)CC)C1 ZINC001173349309 975292236 /nfs/dbraw/zinc/29/22/36/975292236.db2.gz FHZNIXSKLVAJSH-CQSZACIVSA-N 2 0 241.423 1.792 20 0 BDADRP CC[NH+](CC)[C@H]1CCN([C@H]2CC[N@H+](CC)C2)C1 ZINC001173372838 975356795 /nfs/dbraw/zinc/35/67/95/975356795.db2.gz RXXLQHCNPHYLLK-KBPBESRZSA-N 2 0 239.407 1.497 20 0 BDADRP CCN(CC)CC[N@H+](CC)CCCC[NH3+] ZINC001235692148 979109356 /nfs/dbraw/zinc/10/93/56/979109356.db2.gz OPUNVZJXFSRQFG-UHFFFAOYSA-N 2 0 215.385 1.389 20 0 BDADRP CN(CC1(C)CC[NH2+]CC1)[C@]1(C)CCC[NH2+]C1 ZINC001236199763 979444936 /nfs/dbraw/zinc/44/49/36/979444936.db2.gz FVZBFILIRBOZEP-CQSZACIVSA-N 2 0 239.407 1.450 20 0 BDADRP CCC1([NH3+])CN(CCC[NH2+]C2CCCCC2)C1 ZINC001236185292 979440147 /nfs/dbraw/zinc/44/01/47/979440147.db2.gz FNOLVSRJCOPPPD-UHFFFAOYSA-N 2 0 239.407 1.722 20 0 BDADRP CC[C@@H]([NH3+])CN([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236646818 979688453 /nfs/dbraw/zinc/68/84/53/979688453.db2.gz IQEBICIWUMLLTF-TZMCWYRMSA-N 2 0 239.407 1.720 20 0 BDADRP C[C@]1(C[NH3+])CCCN(CC[C@@H]2CCCC[NH2+]2)C1 ZINC001237055183 979811187 /nfs/dbraw/zinc/81/11/87/979811187.db2.gz AQYXOXFEUJPMHC-UONOGXRCSA-N 2 0 239.407 1.579 20 0 BDADRP CC[C@H]([NH3+])CN(C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237143473 979822343 /nfs/dbraw/zinc/82/23/43/979822343.db2.gz GBPHBSDDVJMGGH-WCQYABFASA-N 2 0 225.380 1.330 20 0 BDADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2cnc[nH]2)CC1 ZINC001205545664 980947907 /nfs/dbraw/zinc/94/79/07/980947907.db2.gz LJYUGRUFHMJISR-NSHDSACASA-N 2 0 226.299 1.063 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2CCOC2)CC[C@@H]1C[NH3+] ZINC001205600404 981155553 /nfs/dbraw/zinc/15/55/53/981155553.db2.gz BGARMFSBVMPVIJ-FRRDWIJNSA-N 2 0 226.364 1.330 20 0 BDADRP [NH3+]C[C@H]1CN(Cc2ccc[nH]2)CCC1(F)F ZINC001205761454 982407019 /nfs/dbraw/zinc/40/70/19/982407019.db2.gz GSYIXLNUPCLWMW-VIFPVBQESA-N 2 0 229.274 1.431 20 0 BDADRP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1CC1(F)CC[NH2+]CC1 ZINC001205902698 983118397 /nfs/dbraw/zinc/11/83/97/983118397.db2.gz KYFRXCCTCJIIJR-NWDGAFQWSA-N 3 0 243.370 1.137 20 0 BDADRP C[C@H](C[NH+](C)C)OC1CC[NH+](C)CC1 ZINC001222504766 972532983 /nfs/dbraw/zinc/53/29/83/972532983.db2.gz YUESFAXSQULWTL-SNVBAGLBSA-N 2 0 200.326 1.047 20 0 BDADRP CC(C)(C)[NH+]1CCC(n2ccnc2C(N)=[NH2+])CC1 ZINC001256562257 970862088 /nfs/dbraw/zinc/86/20/88/970862088.db2.gz OVFBXFLBCQWIFB-UHFFFAOYSA-N 2 0 249.362 1.603 20 0 BDADRP C[C@H]1COCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001256621875 970886552 /nfs/dbraw/zinc/88/65/52/970886552.db2.gz ASGGRXGJFFICMH-HABKJSAYSA-N 2 0 238.375 1.580 20 0 BDADRP CCN(CC[NH+](C)C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256621649 970887908 /nfs/dbraw/zinc/88/79/08/970887908.db2.gz ZHUYRKJWZBKJFD-PBWFPOADSA-N 2 0 239.407 1.495 20 0 BDADRP [NH3+]C[C@@H]1C[N@H+](CC2CCC2)CCC1(F)F ZINC000403248231 970898001 /nfs/dbraw/zinc/89/80/01/970898001.db2.gz RRUGAAGZCATUAI-SNVBAGLBSA-N 2 0 218.291 1.702 20 0 BDADRP C[C@H](Cc1ccncc1)[NH2+]CCCC[NH3+] ZINC001256720980 970941663 /nfs/dbraw/zinc/94/16/63/970941663.db2.gz HVSKYQXLUBNABW-LLVKDONJSA-N 2 0 207.321 1.341 20 0 BDADRP [NH3+]Cc1ccnn1[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256894373 971016631 /nfs/dbraw/zinc/01/66/31/971016631.db2.gz HUPYEJZHONNQKN-CQSZACIVSA-N 2 0 248.374 1.921 20 0 BDADRP CCOC(=O)[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])C1 ZINC001257048300 971072355 /nfs/dbraw/zinc/07/23/55/971072355.db2.gz UCRRSLXKCVIGKF-FIQHERPVSA-N 2 0 240.347 1.188 20 0 BDADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])C1 ZINC001257048302 971075035 /nfs/dbraw/zinc/07/50/35/971075035.db2.gz UCRRSLXKCVIGKF-WISYIIOYSA-N 2 0 240.347 1.188 20 0 BDADRP CC(C)[NH+]1CCC(N(C)C(C)(C)C[NH3+])CC1 ZINC001257208065 971126657 /nfs/dbraw/zinc/12/66/57/971126657.db2.gz DAOFFENEGOSKNI-UHFFFAOYSA-N 2 0 227.396 1.528 20 0 BDADRP CCC[C@@H](CO)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC001257208282 971126879 /nfs/dbraw/zinc/12/68/79/971126879.db2.gz YMTIONQVEPEAHG-ZDUSSCGKSA-N 2 0 228.380 1.610 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]CCC2COC2)CC1 ZINC001257208211 971126941 /nfs/dbraw/zinc/12/69/41/971126941.db2.gz VPZZLBLKTCCBAC-UHFFFAOYSA-N 2 0 226.364 1.485 20 0 BDADRP CC(C)[NH+]1CCC(N2C[C@@H]3C[C@H]2C[N@@H+]3C)CC1 ZINC001257224301 971135474 /nfs/dbraw/zinc/13/54/74/971135474.db2.gz XJQQWQRIGMIMML-KBPBESRZSA-N 2 0 237.391 1.248 20 0 BDADRP CCC[C@@H](CC)[NH2+]CCSCC[NH3+] ZINC001257250934 971147543 /nfs/dbraw/zinc/14/75/43/971147543.db2.gz XTYQDOHPQVTYTC-SNVBAGLBSA-N 2 0 204.383 1.847 20 0 BDADRP COC(C)(C)C[N@H+](C)CCCCCC[NH3+] ZINC000404336058 971158342 /nfs/dbraw/zinc/15/83/42/971158342.db2.gz PXVVFMDBDCDWAA-UHFFFAOYSA-N 2 0 216.369 1.862 20 0 BDADRP CCC[C@@H](CC)[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001257268312 971170480 /nfs/dbraw/zinc/17/04/80/971170480.db2.gz GEDWEAQPBINXQI-CYBMUJFWSA-N 2 0 239.407 1.497 20 0 BDADRP CCC(CC)N(CC[NH+](C)C)CC[NH+](C)C ZINC001257300648 971189398 /nfs/dbraw/zinc/18/93/98/971189398.db2.gz YGWOAEAUWVNRCU-UHFFFAOYSA-N 2 0 229.412 1.600 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)C1CC1 ZINC000405218443 971208254 /nfs/dbraw/zinc/20/82/54/971208254.db2.gz AEUIBLAVLUQPBG-GRYCIOLGSA-N 2 0 224.348 1.271 20 0 BDADRP C[C@H](O)CCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405207751 971208324 /nfs/dbraw/zinc/20/83/24/971208324.db2.gz BCXHNCQPKZXRJR-HBNTYKKESA-N 2 0 212.337 1.007 20 0 BDADRP CCC[N@H+](CC)CCN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405201918 971209007 /nfs/dbraw/zinc/20/90/07/971209007.db2.gz BDPNCLNEDUXJIS-STQMWFEESA-N 2 0 239.407 1.578 20 0 BDADRP CO[C@H](C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)C(C)C ZINC000405214805 971209768 /nfs/dbraw/zinc/20/97/68/971209768.db2.gz JPKWJFKNCINXJB-WOPDTQHZSA-N 2 0 226.364 1.517 20 0 BDADRP CC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)C(C)(C)O ZINC000405226907 971213842 /nfs/dbraw/zinc/21/38/42/971213842.db2.gz DNSLWPOYUXSLCK-VWYCJHECSA-N 2 0 226.364 1.395 20 0 BDADRP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405253501 971219746 /nfs/dbraw/zinc/21/97/46/971219746.db2.gz LBTZLRHINTXJRO-WRWGMCAJSA-N 2 0 208.349 1.892 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccccc2)C12CCC2 ZINC000405233773 971216789 /nfs/dbraw/zinc/21/67/89/971216789.db2.gz RWVUOORPMPTCFR-BFHYXJOUSA-N 2 0 246.354 1.580 20 0 BDADRP Cc1nccn1CC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405241009 971217668 /nfs/dbraw/zinc/21/76/68/971217668.db2.gz BBKWPHORIJYHHH-RYUDHWBXSA-N 2 0 234.347 1.051 20 0 BDADRP COc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)cc1 ZINC000405287362 971224646 /nfs/dbraw/zinc/22/46/46/971224646.db2.gz HBTHUIZQTJFWRA-QWHCGFSZSA-N 2 0 234.343 1.911 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000405294281 971230445 /nfs/dbraw/zinc/23/04/45/971230445.db2.gz ZYLVHEBKLKVNJR-RWMBFGLXSA-N 2 0 237.391 1.330 20 0 BDADRP CSCCCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405313910 971232383 /nfs/dbraw/zinc/23/23/83/971232383.db2.gz QGABHXONEULTPD-GHMZBOCLSA-N 2 0 228.405 1.989 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]CCC2(O)CCC2)C12CCC2 ZINC000405299742 971233770 /nfs/dbraw/zinc/23/37/70/971233770.db2.gz ITVJWORILYGEBO-WDEREUQCSA-N 2 0 224.348 1.151 20 0 BDADRP C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405310586 971234032 /nfs/dbraw/zinc/23/40/32/971234032.db2.gz OOWLPOCRPBWCPL-XWLWVQCSSA-N 2 0 226.389 1.740 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CCN2CC=CCC2)C12CCC2 ZINC000405335835 971235516 /nfs/dbraw/zinc/23/55/16/971235516.db2.gz ZFTAWSBLVQOFEY-OLZOCXBDSA-N 2 0 235.375 1.108 20 0 BDADRP CC(C)COCCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405338744 971239230 /nfs/dbraw/zinc/23/92/30/971239230.db2.gz GTDDUMVYTVHUPT-CHWSQXEVSA-N 2 0 240.391 1.909 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405344094 971240725 /nfs/dbraw/zinc/24/07/25/971240725.db2.gz JXZZSHILTZYLSX-AVGNSLFASA-N 2 0 239.407 1.576 20 0 BDADRP CC(C)OCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405351474 971242899 /nfs/dbraw/zinc/24/28/99/971242899.db2.gz OKTGMWMTTPZUKO-WDEREUQCSA-N 2 0 212.337 1.271 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H](O)C2)C12CCC2 ZINC000405372943 971246384 /nfs/dbraw/zinc/24/63/84/971246384.db2.gz ZOSPQGVVCKDWID-KXNHARMFSA-N 2 0 224.348 1.007 20 0 BDADRP C[N@H+]1CC=C(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000405437588 971251853 /nfs/dbraw/zinc/25/18/53/971251853.db2.gz UVYPLMFFJLMQBX-STQMWFEESA-N 3 0 235.375 1.108 20 0 BDADRP C[N@H+]1CC=C(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000405437586 971254307 /nfs/dbraw/zinc/25/43/07/971254307.db2.gz UVYPLMFFJLMQBX-QWHCGFSZSA-N 3 0 235.375 1.108 20 0 BDADRP COCCCCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405441144 971256211 /nfs/dbraw/zinc/25/62/11/971256211.db2.gz VQNBRYHQHMYLSE-NWDGAFQWSA-N 2 0 226.364 1.663 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC2=CCOCC2)C12CCC2 ZINC000405411358 971256698 /nfs/dbraw/zinc/25/66/98/971256698.db2.gz ULAGDIOAHFKMQN-VXGBXAGGSA-N 2 0 222.332 1.193 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405457863 971259050 /nfs/dbraw/zinc/25/90/50/971259050.db2.gz ZEMRLIDQNVGDGR-QJPTWQEYSA-N 2 0 226.364 1.255 20 0 BDADRP CC1(C)C[C@@H]1C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405532529 971264119 /nfs/dbraw/zinc/26/41/19/971264119.db2.gz YRSFIORMFREKMA-VWYCJHECSA-N 2 0 208.349 1.892 20 0 BDADRP CCCC[C@@H](CC)[NH+]1CCN(CC[NH3+])CC1 ZINC001257411169 971306472 /nfs/dbraw/zinc/30/64/72/971306472.db2.gz QRNDHZZPJOXTSS-CYBMUJFWSA-N 2 0 227.396 1.532 20 0 BDADRP CC[C@@H](C)[NH2+]C[C@H]1O[C@H](C(C)C)O[C@@H]1C[NH3+] ZINC001257432975 971338507 /nfs/dbraw/zinc/33/85/07/971338507.db2.gz JISHVHWGBLEQEZ-DDHJBXDOSA-N 2 0 230.352 1.099 20 0 BDADRP C[C@H]1C[C@@H]1c1nnc([C@@](C)([NH3+])CCCC[NH3+])o1 ZINC001217755691 971387589 /nfs/dbraw/zinc/38/75/89/971387589.db2.gz LHQNRRDHAHZEGV-AUTRQRHGSA-N 2 0 238.335 1.496 20 0 BDADRP C[C@H](OC[C@H]1COC(C)(C)[NH2+]1)C1CC[NH2+]CC1 ZINC001217777533 971398890 /nfs/dbraw/zinc/39/88/90/971398890.db2.gz LMSQZBUYLOEAQV-JQWIXIFHSA-N 2 0 242.363 1.116 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1OCC[C@H]1CCC[NH2+]C1 ZINC001217788697 971407143 /nfs/dbraw/zinc/40/71/43/971407143.db2.gz KQINJMUXWQXEQG-JHJVBQTASA-N 2 0 226.364 1.391 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1OC[C@@H]1CCC[NH2+]C1 ZINC001217788935 971408206 /nfs/dbraw/zinc/40/82/06/971408206.db2.gz NRNIVDPJGDSMQJ-UPJWGTAASA-N 2 0 226.364 1.391 20 0 BDADRP C(O[C@@H]1CC[C@@]12CC[NH2+]C2)[C@@H]1CCC[NH2+]C1 ZINC001217809086 971415241 /nfs/dbraw/zinc/41/52/41/971415241.db2.gz PPJXBHSWFXDICF-UPJWGTAASA-N 2 0 224.348 1.145 20 0 BDADRP [NH3+]Cc1cccc(CO[C@H]2CC[NH2+]C2)c1 ZINC001217823849 971418677 /nfs/dbraw/zinc/41/86/77/971418677.db2.gz GJBISZPQMBVZQY-LBPRGKRZSA-N 2 0 206.289 1.024 20 0 BDADRP C(O[C@H]1CC[C@@H]2CCC[C@H]1[NH2+]2)C1CC[NH2+]CC1 ZINC001217820333 971419007 /nfs/dbraw/zinc/41/90/07/971419007.db2.gz NOKUJMGHHFRKDB-MJBXVCDLSA-N 2 0 238.375 1.676 20 0 BDADRP C[NH2+][C@H]1CC[C@H](OC[C@@H]2COC(C)(C)[NH2+]2)CC1 ZINC001217823805 971420199 /nfs/dbraw/zinc/42/01/99/971420199.db2.gz HRIGRMFIHWORSV-IJLUTSLNSA-N 2 0 242.363 1.258 20 0 BDADRP C[N@@H+]1CCC[C@H](OC[C@@H]2CCC[NH2+]C2)CC1 ZINC001217832311 971427430 /nfs/dbraw/zinc/42/74/30/971427430.db2.gz NYUGRSFTLOCVEU-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP C[N@@H+]1CCC[C@@H](OC[C@H]2CCC[NH2+]C2)C1 ZINC001217829036 971423997 /nfs/dbraw/zinc/42/39/97/971423997.db2.gz DUVFLWFYKBGLAY-NWDGAFQWSA-N 2 0 212.337 1.097 20 0 BDADRP COC(=O)C1CCC([NH2+][C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC001257861425 971507574 /nfs/dbraw/zinc/50/75/74/971507574.db2.gz YUJBHTPFYRPBNV-MMVSWEMESA-N 2 0 240.347 1.188 20 0 BDADRP CC(C)[C@H]([NH3+])CO[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001217910917 971512992 /nfs/dbraw/zinc/51/29/92/971512992.db2.gz KLZMNUDNPPYRST-GMTAPVOTSA-N 2 0 200.326 1.127 20 0 BDADRP CC(C)[C@H]([NH3+])CO[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001217910920 971511165 /nfs/dbraw/zinc/51/11/65/971511165.db2.gz KLZMNUDNPPYRST-HBNTYKKESA-N 2 0 200.326 1.127 20 0 BDADRP [NH3+]CCc1ccc(O[C@H]2CCCC[NH2+]C2)cc1 ZINC001217971626 971554405 /nfs/dbraw/zinc/55/44/05/971554405.db2.gz MRSUJLRGIRICAG-AWEZNQCLSA-N 2 0 234.343 1.709 20 0 BDADRP C[NH2+][C@H]1C[C@@H](Oc2cccc3c2CC[NH2+]C3)C1 ZINC001217956532 971545987 /nfs/dbraw/zinc/54/59/87/971545987.db2.gz UKIDZUHSXNJHJB-TXEJJXNPSA-N 2 0 232.327 1.462 20 0 BDADRP CC(C)C[NH+]1CCC([NH2+][C@H]2C[C@](C)(O)C2)CC1 ZINC001258003052 971553954 /nfs/dbraw/zinc/55/39/54/971553954.db2.gz WHDUBBNRRNHIHS-HDJSIYSDSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@H]([NH3+])c1ccc(O[C@H]2C[NH2+]C[C@H]2C)cc1 ZINC001217967213 971552450 /nfs/dbraw/zinc/55/24/50/971552450.db2.gz OFMSBYGGBNONCI-NRUUGDAUSA-N 2 0 220.316 1.693 20 0 BDADRP CCC[C@H](CO)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC001258003596 971555618 /nfs/dbraw/zinc/55/56/18/971555618.db2.gz MORXWGNZNVQOSU-CQSZACIVSA-N 2 0 242.407 1.857 20 0 BDADRP [NH3+]CCc1ccc(O[C@@H]2CCCC[NH2+]C2)cc1 ZINC001217971627 971556467 /nfs/dbraw/zinc/55/64/67/971556467.db2.gz MRSUJLRGIRICAG-CQSZACIVSA-N 2 0 234.343 1.709 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1Oc1cccc2c1CC[NH2+]C2 ZINC001218042775 971583974 /nfs/dbraw/zinc/58/39/74/971583974.db2.gz FARFFURSWQKQAU-IAQYHMDHSA-N 2 0 246.354 1.709 20 0 BDADRP c1cc2c(c(OC3CC4(C3)CC[NH2+]C4)c1)C[NH2+]C2 ZINC001218063636 971594986 /nfs/dbraw/zinc/59/49/86/971594986.db2.gz LFWRFPHLCWITFY-UHFFFAOYSA-N 2 0 244.338 1.811 20 0 BDADRP c1cc2c(c(O[C@H]3CC[C@@]34CC[NH2+]C4)c1)C[NH2+]C2 ZINC001218119663 971603125 /nfs/dbraw/zinc/60/31/25/971603125.db2.gz RJBDTFAIJDJTCT-GJZGRUSLSA-N 2 0 244.338 1.811 20 0 BDADRP [NH3+]Cc1ccc(O[C@H]2CC[C@@]23CC[NH2+]C3)cc1 ZINC001218125869 971605092 /nfs/dbraw/zinc/60/50/92/971605092.db2.gz XVDVMQAMYPBSQK-KBPBESRZSA-N 2 0 232.327 1.666 20 0 BDADRP Cc1ccc(CN2CC[C@@H]([NH3+])[C@H](F)CC2)o1 ZINC001206156768 974330578 /nfs/dbraw/zinc/33/05/78/974330578.db2.gz SPQTWDVJSCKKJV-VXGBXAGGSA-N 2 0 226.295 1.849 20 0 BDADRP CC1(C[N@@H+]2CC[C@@H](N)[C@@H](F)CC2)CCOCC1 ZINC001206155621 974334630 /nfs/dbraw/zinc/33/46/30/974334630.db2.gz MVDXMXYAKQUMOZ-NWDGAFQWSA-N 2 0 244.354 1.564 20 0 BDADRP C[NH+](C)CCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172099473 974339683 /nfs/dbraw/zinc/33/96/83/974339683.db2.gz IGCUJBNSOKVXGQ-CLLJXQQHSA-N 2 0 225.380 1.153 20 0 BDADRP C[C@H](C[NH3+])C[N@H+](C)[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170729755 971671254 /nfs/dbraw/zinc/67/12/54/971671254.db2.gz GJDWLBIQLYBQJX-KKOKHZNYSA-N 2 0 210.365 1.948 20 0 BDADRP [NH3+]Cc1ccccc1O[C@@H]1CCC[NH2+]C1 ZINC001218282878 971677062 /nfs/dbraw/zinc/67/70/62/971677062.db2.gz CIKKBJVYLWSPCM-LLVKDONJSA-N 2 0 206.289 1.276 20 0 BDADRP [NH3+]Cc1cccc(O[C@H]2C=CC[NH2+]C2)c1 ZINC001218334051 971715317 /nfs/dbraw/zinc/71/53/17/971715317.db2.gz KOBLLDZJITUAPG-LBPRGKRZSA-N 2 0 204.273 1.052 20 0 BDADRP C[C@@H]1CC[C@H](Oc2ccccc2C[NH3+])C[NH2+]1 ZINC001218405851 971780344 /nfs/dbraw/zinc/78/03/44/971780344.db2.gz MNJVGLRCDZCUEI-PWSUYJOCSA-N 2 0 220.316 1.665 20 0 BDADRP C[C@H]1C[NH2+]CC[C@@H]1Oc1ccc2c(c1)CC[NH2+]C2 ZINC001218412260 971783885 /nfs/dbraw/zinc/78/38/85/971783885.db2.gz BQQOHXCJUPXQSZ-NHYWBVRUSA-N 2 0 246.354 1.709 20 0 BDADRP CCC[N@H+](CCC[NH3+])[C@H]1CCCOCC1 ZINC001170776843 971805557 /nfs/dbraw/zinc/80/55/57/971805557.db2.gz VYNPMDMUFUXPNL-LBPRGKRZSA-N 2 0 214.353 1.616 20 0 BDADRP [NH3+]Cc1ccc(O[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC001218452845 971821143 /nfs/dbraw/zinc/82/11/43/971821143.db2.gz MUKAVCMHZODHMM-LLVKDONJSA-N 2 0 242.269 1.521 20 0 BDADRP [NH3+]Cc1cccc(O[C@@H]2CC[C@H]3C[NH2+]C[C@@H]32)c1 ZINC001218467994 971826106 /nfs/dbraw/zinc/82/61/06/971826106.db2.gz QPPYMKKUKGZSAU-FPMFFAJLSA-N 2 0 232.327 1.522 20 0 BDADRP CCC1(C[NH+]2CCC(F)(C[NH3+])CC2)COC1 ZINC001222528274 972545813 /nfs/dbraw/zinc/54/58/13/972545813.db2.gz UZGGGTZPXGZLCB-UHFFFAOYSA-N 2 0 230.327 1.176 20 0 BDADRP C[C@H]([NH3+])CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309918351 971880907 /nfs/dbraw/zinc/88/09/07/971880907.db2.gz PLIWBFHGYQGLHM-DZGCQCFKSA-N 2 0 247.386 1.540 20 0 BDADRP CC[C@H](C)N(C)CC[NH2+]CC1CC[NH+](C)CC1 ZINC000217893527 971897049 /nfs/dbraw/zinc/89/70/49/971897049.db2.gz PAQBVEORWNXWGZ-ZDUSSCGKSA-N 3 0 241.423 1.648 20 0 BDADRP CC(C)c1ccccc1NC(=O)[C@@H]1C[C@@H]([NH3+])CN1 ZINC001218813662 971943639 /nfs/dbraw/zinc/94/36/39/971943639.db2.gz KWAFQLQVRFKMMI-MFKMUULPSA-N 2 0 247.342 1.438 20 0 BDADRP Cc1ccc(O)c(C[N@@H+]2CCCC[C@H](C[NH3+])C2)n1 ZINC000311235058 971993772 /nfs/dbraw/zinc/99/37/72/971993772.db2.gz SRVLNQSRZULABU-GFCCVEGCSA-N 2 0 249.358 1.656 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)[C@H]2CCCC[NH2+]C2)cc1 ZINC001219345629 972002477 /nfs/dbraw/zinc/00/24/77/972002477.db2.gz XPKTVZOSJCPRMU-LBPRGKRZSA-N 2 0 247.342 1.474 20 0 BDADRP Nc1cc[nH+]cc1C(=O)Nc1ccc(C[NH3+])cc1 ZINC001219351097 972007433 /nfs/dbraw/zinc/00/74/33/972007433.db2.gz CGDKBKOJHWILBV-UHFFFAOYSA-N 2 0 242.282 1.205 20 0 BDADRP C[C@@H]([NH3+])CCNc1ccc2c(N)cc[nH+]c2c1 ZINC001170890336 972038402 /nfs/dbraw/zinc/03/84/02/972038402.db2.gz GVXHLQVHYZHWSI-SECBINFHSA-N 2 0 230.315 1.966 20 0 BDADRP C[C@@H]([NH3+])CCNc1ccc(C2([NH3+])CC2)cc1 ZINC001170891152 972046430 /nfs/dbraw/zinc/04/64/30/972046430.db2.gz PVAOWDPJOANTSI-SNVBAGLBSA-N 2 0 219.332 1.784 20 0 BDADRP COc1ccc(N[C@@H]([NH3+])CCC[NH3+])c2cc[nH]c21 ZINC001170901269 972049769 /nfs/dbraw/zinc/04/97/69/972049769.db2.gz XZMMWPDXBDFVBV-GFCCVEGCSA-N 2 0 248.330 1.612 20 0 BDADRP CC(C)(O)c1ccccc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170898128 972054508 /nfs/dbraw/zinc/05/45/08/972054508.db2.gz BRMHVSFHEBGTJK-GFCCVEGCSA-N 2 0 237.347 1.350 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc(N2CCCC2)nc1 ZINC001170898102 972057117 /nfs/dbraw/zinc/05/71/17/972057117.db2.gz BPJUFILAZXQZOL-GFCCVEGCSA-N 2 0 249.362 1.117 20 0 BDADRP CCc1nc(Cl)cc(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001170899236 972062036 /nfs/dbraw/zinc/06/20/36/972062036.db2.gz SSKNTAKXXHSCTG-QMMMGPOBSA-N 2 0 243.742 1.128 20 0 BDADRP Cc1[nH]c2ccc(N[C@H]([NH3+])CCC[NH3+])cc2[nH+]1 ZINC001170898578 972062144 /nfs/dbraw/zinc/06/21/44/972062144.db2.gz FIUUCYZHGRQAHV-LBPRGKRZSA-N 3 0 233.319 1.307 20 0 BDADRP CCc1cccc(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001170900311 972063487 /nfs/dbraw/zinc/06/34/87/972063487.db2.gz KCGMHOSQQIDVDE-SNVBAGLBSA-N 2 0 208.309 1.080 20 0 BDADRP COc1ncc2cc[nH]c2c1N[C@@H]([NH3+])CCC[NH3+] ZINC001170899877 972064460 /nfs/dbraw/zinc/06/44/60/972064460.db2.gz GJLCHBUEGPZUNS-SECBINFHSA-N 2 0 249.318 1.007 20 0 BDADRP Cn1cnc2ccc(N[C@@H]([NH3+])CCC[NH3+])cc21 ZINC001170899737 972064638 /nfs/dbraw/zinc/06/46/38/972064638.db2.gz MBRJNXRYIHLHRF-GFCCVEGCSA-N 2 0 233.319 1.009 20 0 BDADRP COc1ccc(N[C@@H]([NH3+])CCC[NH3+])c2[nH]ccc21 ZINC001170900215 972064696 /nfs/dbraw/zinc/06/46/96/972064696.db2.gz QKWLILAADKZFLM-GFCCVEGCSA-N 2 0 248.330 1.612 20 0 BDADRP Cc1cc2[nH+]ccn2cc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170899876 972066296 /nfs/dbraw/zinc/06/62/96/972066296.db2.gz MVPAXPVQXVRJLV-LLVKDONJSA-N 3 0 233.319 1.078 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc([C@H]2CCC[NH2+]2)cc1 ZINC001170900986 972067911 /nfs/dbraw/zinc/06/79/11/972067911.db2.gz SNFWMOJDNFZBBQ-ZIAGYGMSSA-N 3 0 248.374 1.547 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1cccc(C2=[NH+]CCC2)c1 ZINC001170903227 972074617 /nfs/dbraw/zinc/07/46/17/972074617.db2.gz IBRSQPJKRKLAHC-CQSZACIVSA-N 3 0 246.358 1.705 20 0 BDADRP Cc1ncc(Cl)cc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170904739 972078653 /nfs/dbraw/zinc/07/86/53/972078653.db2.gz ONYTYVKTZYRXIL-SNVBAGLBSA-N 2 0 228.727 1.479 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1cccc2c1CCCO2 ZINC001170902060 972075395 /nfs/dbraw/zinc/07/53/95/972075395.db2.gz ANLXKJZIOPXNPL-CYBMUJFWSA-N 2 0 235.331 1.447 20 0 BDADRP Cc1cn(C)c2ccc(N[C@@H]([NH3+])CCC[NH3+])cc12 ZINC001170905060 972081015 /nfs/dbraw/zinc/08/10/15/972081015.db2.gz QVVLRWGBFXURLJ-CQSZACIVSA-N 2 0 246.358 1.922 20 0 BDADRP Cn1ccc2c1[nH+]ccc2N[C@H]([NH3+])CCC[NH3+] ZINC001170906531 972083909 /nfs/dbraw/zinc/08/39/09/972083909.db2.gz WYUOGXJHNVNFPZ-NSHDSACASA-N 3 0 233.319 1.009 20 0 BDADRP CC(C)c1ccnc(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001159786453 972113257 /nfs/dbraw/zinc/11/32/57/972113257.db2.gz ATEDETSOYIPOQL-SNVBAGLBSA-N 2 0 223.324 1.036 20 0 BDADRP COc1ccc(Cl)c(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001159784583 972111199 /nfs/dbraw/zinc/11/11/99/972111199.db2.gz JNZMAEOTGFUXEU-MRVPVSSYSA-N 2 0 244.726 1.179 20 0 BDADRP [NH3+]C1(CN[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCC1 ZINC001246076647 972128471 /nfs/dbraw/zinc/12/84/71/972128471.db2.gz QURAGOLNUHJWDY-ZSBIGDGJSA-N 2 0 223.364 1.131 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@@H](F)C2)CC[NH2+]1 ZINC001246089865 972144231 /nfs/dbraw/zinc/14/42/31/972144231.db2.gz CAHRANNIXDARLX-QCNOEVLYSA-N 2 0 214.328 1.855 20 0 BDADRP C[C@@H](Cc1ccncc1)[NH2+]C[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246102958 972162357 /nfs/dbraw/zinc/16/23/57/972162357.db2.gz XRJODUSVISLJRZ-VNHYZAJKSA-N 2 0 247.386 1.990 20 0 BDADRP C[C@@H](Cc1ccncc1)[NH2+]C[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246102948 972163258 /nfs/dbraw/zinc/16/32/58/972163258.db2.gz XRJODUSVISLJRZ-IPYPFGDCSA-N 2 0 247.386 1.990 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246106683 972170872 /nfs/dbraw/zinc/17/08/72/972170872.db2.gz DXKKBSVZILMTNH-QSLWVIQJSA-N 2 0 237.391 1.247 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1C[NH2+]C1CCOCC1 ZINC001246108596 972172448 /nfs/dbraw/zinc/17/24/48/972172448.db2.gz CMTNLGUSENBXIN-GHMZBOCLSA-N 2 0 212.337 1.001 20 0 BDADRP CC[NH+]1CCC(NC[C@H]2CC[C@@H](C)C[NH2+]2)CC1 ZINC001246105155 972169343 /nfs/dbraw/zinc/16/93/43/972169343.db2.gz MGJSYOOUULHGAY-TZMCWYRMSA-N 2 0 239.407 1.448 20 0 BDADRP CC[C@@H]1C[C@H](N[C@H]2C[NH2+]C[C@H]2F)C[C@H](CC)[NH2+]1 ZINC001246126108 972184530 /nfs/dbraw/zinc/18/45/30/972184530.db2.gz KTIOWIOBGXWNAG-SJHCENCUSA-N 2 0 243.370 1.195 20 0 BDADRP C[C@@H]1C[C@@H](N[C@H]2CCC[NH2+]C[C@H]2C)CC[NH2+]1 ZINC001246119627 972185800 /nfs/dbraw/zinc/18/58/00/972185800.db2.gz WRTCEFPMHBYMRI-NDBYEHHHSA-N 2 0 225.380 1.105 20 0 BDADRP [NH3+]CCc1ccccc1NC1=C[NH2+]CCC1 ZINC001159997201 972198950 /nfs/dbraw/zinc/19/89/50/972198950.db2.gz BJIWEQVCIPMUJS-UHFFFAOYSA-N 2 0 217.316 1.825 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC23CC[NH2+]CC3)CN1 ZINC001246184489 972210881 /nfs/dbraw/zinc/21/08/81/972210881.db2.gz SKZLXBOEAFBPBA-UPJWGTAASA-N 2 0 237.391 1.106 20 0 BDADRP C[C@@H]1C[C@@H](N[C@@H]2CCC[C@@H]([NH3+])C2)C[C@H](C)[NH2+]1 ZINC001246206338 972216735 /nfs/dbraw/zinc/21/67/35/972216735.db2.gz ZOJJTMRIYMXDII-NZEXEKPDSA-N 2 0 225.380 1.375 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2CCC3(C[NH2+]C3)CC2)C1 ZINC001246204144 972217190 /nfs/dbraw/zinc/21/71/90/972217190.db2.gz GDQIOUZRRVYMDC-DGCLKSJQSA-N 3 0 237.391 1.378 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2COC(C)(C)C2)CC1 ZINC000396497711 956890247 /nfs/dbraw/zinc/89/02/47/956890247.db2.gz OZROOOKYRNNQMJ-NEPJUHHUSA-N 2 0 226.364 1.628 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+](CCC1CC1)CC2 ZINC001208688317 957128564 /nfs/dbraw/zinc/12/85/64/957128564.db2.gz MDPWUYRCZVCAFI-UHFFFAOYSA-N 2 0 208.349 1.814 20 0 BDADRP C[NH+]1CCC2(CC[N@H+](Cc3cccnn3)C2)CC1 ZINC001139971242 957176412 /nfs/dbraw/zinc/17/64/12/957176412.db2.gz DTADGIJWYWYFKD-UHFFFAOYSA-N 2 0 246.358 1.394 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C2CCCCC2)CC[NH2+]1 ZINC001246278973 972253076 /nfs/dbraw/zinc/25/30/76/972253076.db2.gz COYPDEQGTCYBIX-MRVWCRGKSA-N 2 0 240.391 1.658 20 0 BDADRP C[NH+](C)CCC[N@H+](C)CCCC1OCCO1 ZINC001209303474 957392722 /nfs/dbraw/zinc/39/27/22/957392722.db2.gz JYYOZDQAIDDLFS-UHFFFAOYSA-N 2 0 230.352 1.023 20 0 BDADRP CCOC(C)(C)C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC000705653229 957398482 /nfs/dbraw/zinc/39/84/82/957398482.db2.gz YRADGGXFFAGYTR-NSHDSACASA-N 2 0 214.353 1.615 20 0 BDADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H]([NH3+])c1ccccc1 ZINC001220857733 972267339 /nfs/dbraw/zinc/26/73/39/972267339.db2.gz PWMTWXZLXCSAPI-NWDGAFQWSA-N 2 0 249.358 1.176 20 0 BDADRP COC(=O)[C@@H]1CCC[C@@H]([NH2+]CC[C@H](C)[NH3+])C1 ZINC001246307614 972269899 /nfs/dbraw/zinc/26/98/99/972269899.db2.gz ZJOFHXHOAPFIBB-HBNTYKKESA-N 2 0 228.336 1.045 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@H](C)Cc1cccnc1 ZINC001246313759 972275921 /nfs/dbraw/zinc/27/59/21/972275921.db2.gz KUYBWAIPINTNPX-ZYHUDNBSSA-N 2 0 207.321 1.340 20 0 BDADRP CSC1(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000382186772 957579781 /nfs/dbraw/zinc/57/97/81/957579781.db2.gz HCMUZKZWKFRDNL-RNWYCLNJSA-N 2 0 238.400 1.468 20 0 BDADRP CC[C@H](C[NH3+])N[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246319241 972278007 /nfs/dbraw/zinc/27/80/07/972278007.db2.gz UCYOSYIOIQKZTP-RBSFLKMASA-N 2 0 247.386 1.807 20 0 BDADRP C[N@@H+]1CC[C@H](Nc2ccc([C@H]3CCC[NH2+]3)cn2)C1 ZINC001167270215 957611573 /nfs/dbraw/zinc/61/15/73/957611573.db2.gz NYCPWBWHDOFHHS-QWHCGFSZSA-N 2 0 246.358 1.622 20 0 BDADRP FC(F)C1C[NH+](CC2CC[NH2+]CC2)C1 ZINC000706419319 957838051 /nfs/dbraw/zinc/83/80/51/957838051.db2.gz ZOFGHHLGYDCONM-UHFFFAOYSA-N 2 0 204.264 1.183 20 0 BDADRP CC[C@H]1C[C@H](N[C@H]2C[NH2+]CC[C@@H]2C)CC[NH2+]1 ZINC001246333639 972296434 /nfs/dbraw/zinc/29/64/34/972296434.db2.gz WCMZDTFIHVIQDO-RVMXOQNASA-N 2 0 225.380 1.105 20 0 BDADRP [NH3+]CCNCC[NH2+]C1CCC2(CCCC2)CC1 ZINC001246406486 972309031 /nfs/dbraw/zinc/30/90/31/972309031.db2.gz UESZOEQYFSWSSN-UHFFFAOYSA-N 2 0 239.407 1.627 20 0 BDADRP c1cc2c(cn1)CCC[C@@H]2[NH2+]C1CC[NH2+]CC1 ZINC001246464872 972339936 /nfs/dbraw/zinc/33/99/36/972339936.db2.gz UODDJABORZACEJ-AWEZNQCLSA-N 2 0 231.343 1.801 20 0 BDADRP C[C@@H]1CC[C@H](N[C@]2(C)CCC[N@H+](C)C2)C[NH2+]1 ZINC001246464688 972340832 /nfs/dbraw/zinc/34/08/32/972340832.db2.gz SNIAJACDFCIFSS-FRRDWIJNSA-N 2 0 225.380 1.201 20 0 BDADRP CCC1(O)CC[NH+]([C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000707223275 958414373 /nfs/dbraw/zinc/41/43/73/958414373.db2.gz YNVWFVDEPSNCQG-VXGBXAGGSA-N 2 0 226.364 1.364 20 0 BDADRP C[C@H]1CC[C@H](NCC[NH+]2CCCCC2)C[NH2+]1 ZINC000399016547 958483885 /nfs/dbraw/zinc/48/38/85/958483885.db2.gz CJQIUPFPLHVUNT-STQMWFEESA-N 2 0 225.380 1.202 20 0 BDADRP CC[NH+](CC)CCN[C@H]1CC[C@H](C)[NH2+]C1 ZINC000399032929 958489165 /nfs/dbraw/zinc/48/91/65/958489165.db2.gz MQTFQVMWRTXKJP-RYUDHWBXSA-N 2 0 213.369 1.058 20 0 BDADRP C[NH+](C)C1CCC(N[C@@H]2C[NH2+]CC[C@H]2F)CC1 ZINC001246488602 972353058 /nfs/dbraw/zinc/35/30/58/972353058.db2.gz KUYWNLLPHQYEOF-FIYWTHMPSA-N 2 0 243.370 1.149 20 0 BDADRP CCC(CC)C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222081215 972360054 /nfs/dbraw/zinc/36/00/54/972360054.db2.gz VRIVKWGQVFXGNY-UHFFFAOYSA-N 2 0 239.407 1.450 20 0 BDADRP CC(C)CC[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222081699 972360686 /nfs/dbraw/zinc/36/06/86/972360686.db2.gz ZTVNQIUVQVLACC-UHFFFAOYSA-N 2 0 225.380 1.060 20 0 BDADRP C[NH+](C)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403536825 958647132 /nfs/dbraw/zinc/64/71/32/958647132.db2.gz CJSHIHFNWVLDEC-YOGCLGLASA-N 2 0 228.405 1.954 20 0 BDADRP [NH3+]C[C@@H](N[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC001246507307 972365502 /nfs/dbraw/zinc/36/55/02/972365502.db2.gz NCHLPNJBPYFZFU-UONOGXRCSA-N 2 0 233.359 1.418 20 0 BDADRP [NH3+]CCN1CCCC2(CCCC[NH2+]C2)CCC1 ZINC001222109874 972370926 /nfs/dbraw/zinc/37/09/26/972370926.db2.gz QORGFZJADOGVMX-UHFFFAOYSA-N 2 0 239.407 1.581 20 0 BDADRP CC(C)[NH+](C(C)C)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246521252 972380278 /nfs/dbraw/zinc/38/02/78/972380278.db2.gz YKOTYHLJTNXJDL-LBPRGKRZSA-N 2 0 225.380 1.199 20 0 BDADRP CO[C@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000693585285 958889446 /nfs/dbraw/zinc/88/94/46/958889446.db2.gz LEYVNWCMDSOSHV-YFKTTZPYSA-N 2 0 212.337 1.223 20 0 BDADRP C([C@@H]1CCCC[NH2+]1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222141698 972388529 /nfs/dbraw/zinc/38/85/29/972388529.db2.gz QSWMXJKYKILMBZ-KBPBESRZSA-N 2 0 237.391 1.204 20 0 BDADRP OCC[N@@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222155291 972397944 /nfs/dbraw/zinc/39/79/44/972397944.db2.gz ZHPAAIMLQFNGAW-CYBMUJFWSA-N 2 0 226.364 1.225 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2CC[C@@](C)([NH3+])C2)CC[NH2+]1 ZINC001246526843 972398637 /nfs/dbraw/zinc/39/86/37/972398637.db2.gz BWCCVHUILZYPJU-FRRDWIJNSA-N 2 0 225.380 1.186 20 0 BDADRP C[n+]1cccc(N2C(C)(C)CC([NH3+])CC2(C)C)c1 ZINC001167626480 959114533 /nfs/dbraw/zinc/11/45/33/959114533.db2.gz KXPKVZNSDGMMQT-UHFFFAOYSA-N 2 0 248.394 1.996 20 0 BDADRP C[C@@H](Cc1ccccn1)[NH2+]CCCC[NH+](C)C ZINC000690746115 959209264 /nfs/dbraw/zinc/20/92/64/959209264.db2.gz CZGKPICBUQJRCC-ZDUSSCGKSA-N 2 0 235.375 1.944 20 0 BDADRP CCOCC[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C)C1 ZINC001172409623 974670664 /nfs/dbraw/zinc/67/06/64/974670664.db2.gz XWMGVRGVPDSLDH-VXGBXAGGSA-N 2 0 214.353 1.343 20 0 BDADRP C[C@]1(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)CCC[NH2+]C1 ZINC000724810875 959317586 /nfs/dbraw/zinc/31/75/86/959317586.db2.gz KRVZENSTFZWRSZ-RDBSUJKOSA-N 2 0 238.375 1.487 20 0 BDADRP C([C@H]1CCCC[NH2+]C1)[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000724811037 959319154 /nfs/dbraw/zinc/31/91/54/959319154.db2.gz IMAYXLZHWRWIMN-MJBXVCDLSA-N 2 0 238.375 1.487 20 0 BDADRP COCCCC[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222238022 972420187 /nfs/dbraw/zinc/42/01/87/972420187.db2.gz YOJGCWQAEWHHAH-CYBMUJFWSA-N 2 0 226.364 1.631 20 0 BDADRP C[C@H](CN[C@@H]1C[C@@H]([NH3+])C12CCC2)[N@H+](C)C1CC1 ZINC000405238374 959424332 /nfs/dbraw/zinc/42/43/32/959424332.db2.gz VBHCKBJEIZUSPJ-RAIGVLPGSA-N 2 0 237.391 1.329 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2ccccn2)C12CCC2 ZINC000405275612 959427703 /nfs/dbraw/zinc/42/77/03/959427703.db2.gz WWMKKTGMMKVSIF-STQMWFEESA-N 2 0 231.343 1.484 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H](CO)C2CCCC2)C12CCC2 ZINC000405496697 959453028 /nfs/dbraw/zinc/45/30/28/959453028.db2.gz QBLJHPPPZDJIAJ-JHJVBQTASA-N 2 0 238.375 1.397 20 0 BDADRP OCCCCC[N@@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222307962 972437962 /nfs/dbraw/zinc/43/79/62/972437962.db2.gz CVNLLSUKCKJKMO-AWEZNQCLSA-N 2 0 240.391 1.757 20 0 BDADRP C([C@@H]1CCCC[NH2+]1)N1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222344683 972440793 /nfs/dbraw/zinc/44/07/93/972440793.db2.gz CDJAKKDLALRDKH-UONOGXRCSA-N 2 0 237.391 1.347 20 0 BDADRP C[C@@H]1C[NH2+]CCC[C@H]1OCC[C@@H]1CCC[NH2+]C1 ZINC001217776073 959585616 /nfs/dbraw/zinc/58/56/16/959585616.db2.gz FHXXAHJJRKQGML-HZSPNIEDSA-N 2 0 240.391 1.781 20 0 BDADRP c1cc2c(c(O[C@@H]3CCC[NH2+]CC3)c1)CC[NH2+]C2 ZINC001217994937 959820825 /nfs/dbraw/zinc/82/08/25/959820825.db2.gz LRTRVCVOODUUCE-CYBMUJFWSA-N 2 0 246.354 1.853 20 0 BDADRP C[NH+](C)CCc1ccc(O[C@@H]2CCC[NH2+]C2)cc1 ZINC001218283414 959944983 /nfs/dbraw/zinc/94/49/83/959944983.db2.gz IIXIGFPOWRDTPF-OAHLLOKOSA-N 2 0 248.370 1.922 20 0 BDADRP C[NH+](C)CCc1ccc(O[C@H]2CCC[NH2+]C2)cc1 ZINC001218283413 959945420 /nfs/dbraw/zinc/94/54/20/959945420.db2.gz IIXIGFPOWRDTPF-HNNXBMFYSA-N 2 0 248.370 1.922 20 0 BDADRP C[C@H]([NH3+])c1ccc(O[C@H]2C[NH2+][C@@H]2C)cc1 ZINC001218387493 960034970 /nfs/dbraw/zinc/03/49/70/960034970.db2.gz PMEIYHGCWFXBQN-SBMIAAHKSA-N 2 0 206.289 1.445 20 0 BDADRP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CCC[C@@]1(C)O ZINC001207436524 960089157 /nfs/dbraw/zinc/08/91/57/960089157.db2.gz MMBYHJHGQOUPOA-TZMCWYRMSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCC[C@]1(C)O ZINC001207436522 960090836 /nfs/dbraw/zinc/09/08/36/960090836.db2.gz MMBYHJHGQOUPOA-JSGCOSHPSA-N 2 0 240.391 1.469 20 0 BDADRP O=C1CCC[C@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@H]12 ZINC001207442904 960133030 /nfs/dbraw/zinc/13/30/30/960133030.db2.gz IIOZDHYAHTZYJL-STQMWFEESA-N 2 0 236.359 1.287 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N2[C@@H](C)CC[C@H]2C[NH3+])CC[NH2+]1 ZINC001246537225 972483348 /nfs/dbraw/zinc/48/33/48/972483348.db2.gz GJXNUXPVOOYSSW-XUXIUFHCSA-N 2 0 239.407 1.575 20 0 BDADRP [NH3+]CC(C[NH3+])NCc1cccc(C(F)(F)F)c1 ZINC000695339121 960203824 /nfs/dbraw/zinc/20/38/24/960203824.db2.gz BLKPGCMCTHXSLW-UHFFFAOYSA-N 2 0 247.264 1.081 20 0 BDADRP C[NH2+]CCNc1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC001167723869 960230040 /nfs/dbraw/zinc/23/00/40/960230040.db2.gz DEXOWMYBTWMVKV-ZDUSSCGKSA-N 2 0 219.332 1.742 20 0 BDADRP [NH3+]CCc1ccn(-c2ccc(C3([NH3+])CC3)cc2)n1 ZINC001167730134 960261913 /nfs/dbraw/zinc/26/19/13/960261913.db2.gz BHPJFDDWIJBUCE-UHFFFAOYSA-N 2 0 242.326 1.321 20 0 BDADRP C[C@@H](C[C@H]1CCOC1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000689794476 960368920 /nfs/dbraw/zinc/36/89/20/960368920.db2.gz OICNBKSSDJRGNQ-GXTWGEPZSA-N 2 0 238.375 1.653 20 0 BDADRP C[C@H](C[C@H](C)O)[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925633262 960482676 /nfs/dbraw/zinc/48/26/76/960482676.db2.gz CTTMYWIZPOICRR-FHUSYTEZSA-N 2 0 240.391 1.512 20 0 BDADRP C[C@H]1CC[C@@H](C[NH3+])N1[C@@H]1CC2CC[NH+](CC2)C1 ZINC001246537634 972512318 /nfs/dbraw/zinc/51/23/18/972512318.db2.gz JDCUQHODPSEMTQ-FPMFFAJLSA-N 2 0 237.391 1.282 20 0 BDADRP CCSCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709392588 960555304 /nfs/dbraw/zinc/55/53/04/960555304.db2.gz QNXZAEROFRFRIF-ZACCUICWSA-N 2 0 214.378 1.612 20 0 BDADRP CCCCC[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222491638 972516373 /nfs/dbraw/zinc/51/63/73/972516373.db2.gz FYOLOFHGTNNLCR-STQMWFEESA-N 2 0 225.380 1.202 20 0 BDADRP CSC1CC[NH+]([C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000709449028 960610978 /nfs/dbraw/zinc/61/09/78/960610978.db2.gz NLTMKUFCDZGYFI-GHMZBOCLSA-N 2 0 228.405 1.954 20 0 BDADRP CSC1CC[NH+]([C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000709449032 960612469 /nfs/dbraw/zinc/61/24/69/960612469.db2.gz NLTMKUFCDZGYFI-WDEREUQCSA-N 2 0 228.405 1.954 20 0 BDADRP CC[NH+]1CCC(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000709490229 960618784 /nfs/dbraw/zinc/61/87/84/960618784.db2.gz YGTJEBYGYQBIRB-PBWFPOADSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@](C)(O)CC2)CC[NH2+]1 ZINC000709492792 960628660 /nfs/dbraw/zinc/62/86/60/960628660.db2.gz CPLOXASMGQDDCM-JHJVBQTASA-N 2 0 226.364 1.364 20 0 BDADRP Cc1cc(C[N@H+](C)CC2CC[NH+](C)CC2)[nH]n1 ZINC001203075288 960671433 /nfs/dbraw/zinc/67/14/33/960671433.db2.gz CFOHVCAIEQGYMV-UHFFFAOYSA-N 2 0 236.363 1.492 20 0 BDADRP [NH3+]CC1(F)CC[NH+](Cc2ccccn2)CC1 ZINC001222533427 960683870 /nfs/dbraw/zinc/68/38/70/960683870.db2.gz YPBSUFYYXBCIOX-UHFFFAOYSA-N 2 0 223.295 1.344 20 0 BDADRP C[NH+](C)CC1CC[NH+](Cc2cnco2)CC1 ZINC001140931241 960701875 /nfs/dbraw/zinc/70/18/75/960701875.db2.gz CFTXOGCAYKHTBF-UHFFFAOYSA-N 2 0 223.320 1.448 20 0 BDADRP C[C@H]1NCCC[C@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000925725659 960820790 /nfs/dbraw/zinc/82/07/90/960820790.db2.gz MIAWHRAPTPDJAD-FDYHWXHSSA-N 2 0 225.380 1.234 20 0 BDADRP Cc1ccncc1CN1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001141048162 960842213 /nfs/dbraw/zinc/84/22/13/960842213.db2.gz HWTNQAOBWAQOQR-HUUCEWRRSA-N 2 0 245.370 1.774 20 0 BDADRP Cc1ncoc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001141053713 960844206 /nfs/dbraw/zinc/84/42/06/960844206.db2.gz MPIHHXMJFLKZGL-UHFFFAOYSA-N 2 0 249.358 1.901 20 0 BDADRP c1[nH]nc2c1[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)CCC2 ZINC000423487682 960882559 /nfs/dbraw/zinc/88/25/59/960882559.db2.gz UNXHTFODMZRDPS-WCQYABFASA-N 2 0 248.374 1.909 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1[NH3+] ZINC000724388428 961365456 /nfs/dbraw/zinc/36/54/56/961365456.db2.gz JXABGDJTPCDKSJ-UJPOAAIJSA-N 2 0 226.364 1.469 20 0 BDADRP Cc1cccc(C)c1NC(=[NH2+])NCCCC[NH3+] ZINC001167880178 961446828 /nfs/dbraw/zinc/44/68/28/961446828.db2.gz ANJHILDCLJBEPP-UHFFFAOYSA-N 2 0 234.347 1.979 20 0 BDADRP CC[NH+](CC)CCNC(=[NH2+])N[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167924967 962007074 /nfs/dbraw/zinc/00/70/74/962007074.db2.gz WJNASZNZOKIZPR-ZSBIGDGJSA-N 2 0 238.379 1.241 20 0 BDADRP C[C@H](C[NH2+][C@H]1COC[C@H]1C)C[NH+]1CCCC1 ZINC000688048780 962842250 /nfs/dbraw/zinc/84/22/50/962842250.db2.gz OSCARCIJPOCHAH-UPJWGTAASA-N 2 0 226.364 1.343 20 0 BDADRP Cc1cnc(N[C@@H]2CCC[C@@H]([NH3+])C2)c(C[NH3+])c1 ZINC001154990110 962933080 /nfs/dbraw/zinc/93/30/80/962933080.db2.gz WGTFMQCERQKNJN-VXGBXAGGSA-N 2 0 234.347 1.531 20 0 BDADRP Cc1cc[nH+]c(NC[C@]23C[NH2+]C[C@H]2COC3)c1 ZINC001155509668 963092291 /nfs/dbraw/zinc/09/22/91/963092291.db2.gz GIWHOVFFUQPLAD-AAEUAGOBSA-N 2 0 233.315 1.038 20 0 BDADRP C[C@@H](C[NH+](C)C)Nc1ccc2c(n1)CC[NH2+]C2 ZINC001155915809 963200338 /nfs/dbraw/zinc/20/03/38/963200338.db2.gz ZCMCUDQTWVGTSL-JTQLQIEISA-N 2 0 234.347 1.089 20 0 BDADRP C[C@@H](C[NH+](C)C)Nc1cc2[nH]ccc2c[nH+]1 ZINC001155913747 963200765 /nfs/dbraw/zinc/20/07/65/963200765.db2.gz CRGUKERRLPDEHE-VIFPVBQESA-N 2 0 218.304 1.925 20 0 BDADRP CC(C)N(CCC[NH3+])c1cccc(N(C)C)[nH+]1 ZINC001156118370 963262211 /nfs/dbraw/zinc/26/22/11/963262211.db2.gz GRPQNVCTJTXZQL-UHFFFAOYSA-N 2 0 236.363 1.711 20 0 BDADRP Cc1c[nH+]c(N(CCC[NH3+])C(C)C)cc1N ZINC001156124084 963262597 /nfs/dbraw/zinc/26/25/97/963262597.db2.gz LGMNTNKDXWZFLR-UHFFFAOYSA-N 2 0 222.336 1.536 20 0 BDADRP COc1cc[nH+]c(N(C)C2CC[NH2+]CC2)c1 ZINC001156169613 963273885 /nfs/dbraw/zinc/27/38/85/963273885.db2.gz IPERNYZRCRIKJN-UHFFFAOYSA-N 2 0 221.304 1.278 20 0 BDADRP C[NH+](C)Cc1ccnc(-n2cccc2C[NH3+])c1 ZINC001156730041 963448741 /nfs/dbraw/zinc/44/87/41/963448741.db2.gz CVOWHTYZBUBSSF-UHFFFAOYSA-N 2 0 230.315 1.393 20 0 BDADRP CN(C)c1cc[nH+]c(NC(=N)SCC[NH3+])c1 ZINC001157128624 963535904 /nfs/dbraw/zinc/53/59/04/963535904.db2.gz BXDJVOLESWRGQX-UHFFFAOYSA-N 2 0 239.348 1.186 20 0 BDADRP C[C@H](C[NH+](C)C)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000714003610 963572987 /nfs/dbraw/zinc/57/29/87/963572987.db2.gz WKQZYDKUPPMYIT-RLAWYHOSSA-N 2 0 239.407 1.541 20 0 BDADRP C[N@@H+](CC1=CCCOC1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000696927770 963584239 /nfs/dbraw/zinc/58/42/39/963584239.db2.gz DVDXEJCPCHAGLX-YPMHNXCESA-N 2 0 224.348 1.392 20 0 BDADRP CC1(Nc2cc(N)cc[nH+]2)CC[NH2+]CC1 ZINC001157396698 963594856 /nfs/dbraw/zinc/59/48/56/963594856.db2.gz FXKZCBQIPYGTIJ-UHFFFAOYSA-N 2 0 206.293 1.218 20 0 BDADRP Cc1cnc(-n2ccc3c2CC[NH2+]C3)c(C[NH3+])c1 ZINC001157449037 963609818 /nfs/dbraw/zinc/60/98/18/963609818.db2.gz FDUJCXNHWCGTPS-UHFFFAOYSA-N 2 0 242.326 1.285 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC23CC[NH+](CC2)CC3)CCO1 ZINC001168084241 963643668 /nfs/dbraw/zinc/64/36/68/963643668.db2.gz QNKGISPFSIAYTR-QWHCGFSZSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@H]1C[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)CCO1 ZINC001168090299 963681086 /nfs/dbraw/zinc/68/10/86/963681086.db2.gz CCKIGEUUJNGVEG-FIQHERPVSA-N 2 0 212.337 1.413 20 0 BDADRP Cc1nc(N2CCC[C@@H]([NH3+])[C@@H]2C)cc(N(C)C)[nH+]1 ZINC001157734952 963711164 /nfs/dbraw/zinc/71/11/64/963711164.db2.gz ZPOFULNYLKKWLA-GXSJLCMTSA-N 2 0 249.362 1.167 20 0 BDADRP [NH3+]C[C@@]1(F)CCN(c2[nH+]ccc3[nH]ccc32)C1 ZINC001157808454 963731669 /nfs/dbraw/zinc/73/16/69/963731669.db2.gz HQSQCRWMLIHEAH-LBPRGKRZSA-N 2 0 234.278 1.440 20 0 BDADRP CN(C)c1cc[nH+]c(N2CC[C@](F)(C[NH3+])C2)c1 ZINC001157812638 963734416 /nfs/dbraw/zinc/73/44/16/963734416.db2.gz DMXFSRLQIHUEHR-LBPRGKRZSA-N 2 0 238.310 1.025 20 0 BDADRP Cc1[nH+]c(N2CC[C@](F)(C[NH3+])C2)cc2[nH]ccc21 ZINC001157818617 963736257 /nfs/dbraw/zinc/73/62/57/963736257.db2.gz UGVFTUQEWCRRIR-ZDUSSCGKSA-N 2 0 248.305 1.748 20 0 BDADRP Cc1c[nH+]c(N2C[C@@H](C)[NH2+][C@H](C)C2)cc1N ZINC001158176487 963821189 /nfs/dbraw/zinc/82/11/89/963821189.db2.gz GCBGNFKHURXUFZ-NXEZZACHSA-N 2 0 220.320 1.159 20 0 BDADRP CC[N@@H+]1CCN(c2cc(N)cc[nH+]2)C(C)(C)C1 ZINC001158560454 963886085 /nfs/dbraw/zinc/88/60/85/963886085.db2.gz CHDISNKRPAXUIS-UHFFFAOYSA-N 2 0 234.347 1.584 20 0 BDADRP CC1(Nc2cc(N)c(F)c[nH+]2)CC[NH2+]CC1 ZINC001168183600 963938429 /nfs/dbraw/zinc/93/84/29/963938429.db2.gz IMEZQPUSFDZPRH-UHFFFAOYSA-N 2 0 224.283 1.357 20 0 BDADRP CC1(Nc2cccc(C[NH3+])n2)CC[NH2+]CC1 ZINC001168187437 963944765 /nfs/dbraw/zinc/94/47/65/963944765.db2.gz BIAILRVUSNEAFX-UHFFFAOYSA-N 2 0 220.320 1.094 20 0 BDADRP c1cc2c(cc[nH+]c2N2CCC3(C[NH2+]C3)CC2)[nH]1 ZINC001159040132 963978448 /nfs/dbraw/zinc/97/84/48/963978448.db2.gz VRTAEYMMFVDKSL-UHFFFAOYSA-N 2 0 242.326 1.753 20 0 BDADRP COc1ccc2c(c1)C[C@H]([NH2+]CCCC[NH3+])C2 ZINC001168236134 964015037 /nfs/dbraw/zinc/01/50/37/964015037.db2.gz SVNMKSCVXIBABE-CYBMUJFWSA-N 2 0 234.343 1.491 20 0 BDADRP [NH3+]CCc1ccccc1N[C@H]1C[NH2+]CC[C@H]1F ZINC001168230945 964017078 /nfs/dbraw/zinc/01/70/78/964017078.db2.gz ICXDSUSCZNSSID-YPMHNXCESA-N 2 0 237.322 1.300 20 0 BDADRP COc1ccc2c(c1)C[C@@H]([N@H+](C)C[C@@H](C)C[NH3+])C2 ZINC001168245323 964052547 /nfs/dbraw/zinc/05/25/47/964052547.db2.gz WRQWEKDRFNNRFM-FZMZJTMJSA-N 2 0 248.370 1.689 20 0 BDADRP [NH3+]Cc1cnn(-c2ccc([C@H]3CCC[NH2+]3)cn2)c1 ZINC001168255687 964071186 /nfs/dbraw/zinc/07/11/86/964071186.db2.gz ZLEUGTRXECCELE-GFCCVEGCSA-N 2 0 243.314 1.151 20 0 BDADRP Cc1cc(C)[nH+]c(N[C@@H](C)[C@@H]2C[NH2+]CCO2)c1 ZINC001159489119 964110918 /nfs/dbraw/zinc/11/09/18/964110918.db2.gz JRUSPLZSYIJIPM-RYUDHWBXSA-N 2 0 235.331 1.487 20 0 BDADRP C[C@@H](Nc1cc2[nH]ccc2c[nH+]1)[C@H]1C[NH2+]CCO1 ZINC001159488283 964110983 /nfs/dbraw/zinc/11/09/83/964110983.db2.gz BONGVLZUEYKGPL-BXKDBHETSA-N 2 0 246.314 1.352 20 0 BDADRP Cc1cc(C)[nH+]c(N[C@H](C)[C@@H]2C[NH2+]CCO2)c1 ZINC001159489117 964111511 /nfs/dbraw/zinc/11/15/11/964111511.db2.gz JRUSPLZSYIJIPM-NEPJUHHUSA-N 2 0 235.331 1.487 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ncnc2ccsc21 ZINC001159780353 964196456 /nfs/dbraw/zinc/19/64/56/964196456.db2.gz YFBDSZWHUMPEMC-MRVPVSSYSA-N 2 0 237.332 1.127 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ncnc2ccccc21 ZINC001159779964 964197052 /nfs/dbraw/zinc/19/70/52/964197052.db2.gz MIVPMNMYSIGUEL-LLVKDONJSA-N 2 0 231.303 1.065 20 0 BDADRP Cc1c[nH]c2nc(N[C@H]([NH3+])CCC[NH3+])ccc12 ZINC001159783577 964197081 /nfs/dbraw/zinc/19/70/81/964197081.db2.gz DUMJSMPWKUHDKX-JTQLQIEISA-N 2 0 233.319 1.307 20 0 BDADRP CSc1cccc(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001159787085 964198855 /nfs/dbraw/zinc/19/88/55/964198855.db2.gz RAFIHDGZXPFDGG-QMMMGPOBSA-N 2 0 226.349 1.239 20 0 BDADRP CCc1cc2c(ccnc2N[C@H]([NH3+])CCC[NH3+])o1 ZINC001159788514 964201870 /nfs/dbraw/zinc/20/18/70/964201870.db2.gz JSEWKPPVRPOJHC-LBPRGKRZSA-N 2 0 248.330 1.826 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@H]2CCCCC2=O)CC1 ZINC001168300467 964398102 /nfs/dbraw/zinc/39/81/02/964398102.db2.gz VUPGQAGOALQGNA-BPCQOVAHSA-N 2 0 238.375 1.961 20 0 BDADRP CN(CC1CCCCC1)C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001160713636 964399542 /nfs/dbraw/zinc/39/95/42/964399542.db2.gz ISIGFKNUGSDDFH-GFCCVEGCSA-N 2 0 241.379 1.091 20 0 BDADRP C[NH+](C)C1CCC([NH+]2CC3(COC3)C2)CC1 ZINC001168314269 964419082 /nfs/dbraw/zinc/41/90/82/964419082.db2.gz AOLDMZUXBPXPOO-UHFFFAOYSA-N 2 0 224.348 1.191 20 0 BDADRP C[C@@H]1COCC[N@@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168315366 964426440 /nfs/dbraw/zinc/42/64/40/964426440.db2.gz VJZZLEZXJHJYBL-HSBZDZAISA-N 2 0 240.391 1.828 20 0 BDADRP CCOC(=O)C[N@H+](C)C1CCC([NH+](C)C)CC1 ZINC001168319078 964437172 /nfs/dbraw/zinc/43/71/72/964437172.db2.gz NQOBSDFYSQHSOG-UHFFFAOYSA-N 2 0 242.363 1.354 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2CCO[C@H]3C[C@H]32)CC1 ZINC001168328785 964459417 /nfs/dbraw/zinc/45/94/17/964459417.db2.gz KGXCGEGYZBTPBI-TUUUFIMRSA-N 2 0 224.348 1.332 20 0 BDADRP CC(=O)[C@@H]1CC[N@@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168328429 964459004 /nfs/dbraw/zinc/45/90/04/964459004.db2.gz GARQGBIUECRLLI-IYXRBSQSSA-N 2 0 238.375 1.770 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2CC[C@@]23CCOC3)CC1 ZINC001168331127 964463764 /nfs/dbraw/zinc/46/37/64/964463764.db2.gz ZOPRGMXLARKZNN-RUXDESIVSA-N 2 0 238.375 1.724 20 0 BDADRP C([NH2+]C1CC[NH+](CC2CC2)CC1)[C@H]1CCO1 ZINC001168356439 964512541 /nfs/dbraw/zinc/51/25/41/964512541.db2.gz RWCDXPHRHJBTQY-CYBMUJFWSA-N 2 0 224.348 1.239 20 0 BDADRP CC[C@@H](COC)[NH2+]CC[C@@H](C)[NH+](C)C ZINC000697871881 964599232 /nfs/dbraw/zinc/59/92/32/964599232.db2.gz PNEYPHORDIZWCQ-MNOVXSKESA-N 2 0 202.342 1.341 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCN(C)C1)C1CC[NH+](C)CC1 ZINC000042545372 964827492 /nfs/dbraw/zinc/82/74/92/964827492.db2.gz QDIKSJKPYLOFQK-DGCLKSJQSA-N 2 0 225.380 1.010 20 0 BDADRP C[C@@]1([NH2+]C2CC[NH+](CC3CC3)CC2)CCOC1 ZINC001168369021 964886029 /nfs/dbraw/zinc/88/60/29/964886029.db2.gz TWBBMBFOVIYFMJ-CQSZACIVSA-N 2 0 238.375 1.629 20 0 BDADRP [NH3+]Cc1cn(-c2ccc([C@H]3CCC[NH2+]3)cn2)cn1 ZINC001162296980 964914543 /nfs/dbraw/zinc/91/45/43/964914543.db2.gz SACHEJDWJZRDKI-GFCCVEGCSA-N 2 0 243.314 1.151 20 0 BDADRP [NH3+][C@H]1CCC[C@H](Nc2cnc3c(c2)C[NH2+]CC3)C1 ZINC001162401875 964958509 /nfs/dbraw/zinc/95/85/09/964958509.db2.gz MZMFXBHJRJOSQP-RYUDHWBXSA-N 2 0 246.358 1.409 20 0 BDADRP Nc1[nH]c2ccc(NC[C@@H]3C[C@H](F)C[NH2+]3)cc2[nH+]1 ZINC001162477412 964991380 /nfs/dbraw/zinc/99/13/80/964991380.db2.gz JWZQZCZIWFEFTN-CBAPKCEASA-N 2 0 249.293 1.257 20 0 BDADRP CCc1cc(NC[C@@H]2C[C@H](F)C[NH2+]2)cc[nH+]1 ZINC001162480970 964995459 /nfs/dbraw/zinc/99/54/59/964995459.db2.gz AILPDOALDDNYLM-CABZTGNLSA-N 2 0 223.295 1.178 20 0 BDADRP C[C@@H]1C[C@@H](CNc2[nH+]ccc3c2CCN3)C[NH2+]1 ZINC001162555074 965043824 /nfs/dbraw/zinc/04/38/24/965043824.db2.gz LBQOIYIEUVQBJI-NXEZZACHSA-N 2 0 232.331 1.460 20 0 BDADRP CCc1cc(NC[C@H]2C[NH2+][C@H](C)C2)cc[nH+]1 ZINC001162558889 965047806 /nfs/dbraw/zinc/04/78/06/965047806.db2.gz FYKGEYIYWIYYCT-GHMZBOCLSA-N 2 0 219.332 1.476 20 0 BDADRP C1=C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000698205075 965108317 /nfs/dbraw/zinc/10/83/17/965108317.db2.gz NMYDZAAWFJFNCH-RWMBFGLXSA-N 2 0 206.333 1.921 20 0 BDADRP Cc1cc(C)[nH+]c(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)c1 ZINC001162790818 965175597 /nfs/dbraw/zinc/17/55/97/965175597.db2.gz WCGXSBGBKKOSSL-RWMBFGLXSA-N 2 0 229.327 1.884 20 0 BDADRP Cc1c[nH+]c(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)c(C)c1 ZINC001162794477 965182104 /nfs/dbraw/zinc/18/21/04/965182104.db2.gz PLCHUGKUAKLNNX-YNEHKIRRSA-N 2 0 229.327 1.884 20 0 BDADRP C[n+]1cccc(N2C[C@H]([NH3+])Cc3ccccc32)c1 ZINC001162853451 965196883 /nfs/dbraw/zinc/19/68/83/965196883.db2.gz KUJNGCPUZZCHFL-CYBMUJFWSA-N 2 0 240.330 1.533 20 0 BDADRP [NH3+][C@H]1COC[C@H]1Nc1cccc(C2=[NH+]CCC2)c1 ZINC001162925815 965213566 /nfs/dbraw/zinc/21/35/66/965213566.db2.gz CIMWAKORHHCQJW-GXTWGEPZSA-N 2 0 245.326 1.408 20 0 BDADRP c1cc(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)cc[nH+]1 ZINC001163268191 965323935 /nfs/dbraw/zinc/32/39/35/965323935.db2.gz CAQNAYAIRZJIIG-JSGCOSHPSA-N 2 0 247.342 1.074 20 0 BDADRP Cc1cccnc1N[C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163305473 965327364 /nfs/dbraw/zinc/32/73/64/965327364.db2.gz MSJURDZURFKSAS-GXTWGEPZSA-N 2 0 247.342 1.713 20 0 BDADRP CN(C)c1cc[nH+]c(N(C)CC[NH+](C)C)c1 ZINC001163590322 965469065 /nfs/dbraw/zinc/46/90/65/965469065.db2.gz QHUWGETZCQJJEU-UHFFFAOYSA-N 2 0 222.336 1.145 20 0 BDADRP C[NH2+]CCN(C)c1cc(N2CCCC2)cc[nH+]1 ZINC001163720622 965532277 /nfs/dbraw/zinc/53/22/77/965532277.db2.gz FPTQLMIKKBCMRB-UHFFFAOYSA-N 2 0 234.347 1.337 20 0 BDADRP CC[N@@H+]1CCCN(c2ncc(C)cc2C[NH3+])CC1 ZINC001163776202 965583660 /nfs/dbraw/zinc/58/36/60/965583660.db2.gz LMVYODRXMPSTPI-UHFFFAOYSA-N 2 0 248.374 1.381 20 0 BDADRP C[C@H](C[NH+](C)C)Nc1cc[nH+]c2c1ccn2C ZINC001163782534 965585235 /nfs/dbraw/zinc/58/52/35/965585235.db2.gz KSDPEEASETZNJH-SNVBAGLBSA-N 2 0 232.331 1.935 20 0 BDADRP C[C@@H](C[NH+](C)C)Nc1cccc2c1CC[C@H]2[NH3+] ZINC001163782546 965587771 /nfs/dbraw/zinc/58/77/71/965587771.db2.gz KWNRYGSYOOFPAS-GXFFZTMASA-N 2 0 233.359 1.995 20 0 BDADRP CC(C)N(CCC[NH3+])c1cccc(C[NH3+])c1 ZINC001164123025 965747260 /nfs/dbraw/zinc/74/72/60/965747260.db2.gz WIWNGBWCGUYZFT-UHFFFAOYSA-N 2 0 221.348 1.709 20 0 BDADRP Cc1nn(C)cc1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205095599 965753788 /nfs/dbraw/zinc/75/37/88/965753788.db2.gz ZYVHNDSBKBYGKP-LBPRGKRZSA-N 2 0 222.336 1.042 20 0 BDADRP CCC[C@H](O)C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000715176506 965770772 /nfs/dbraw/zinc/77/07/72/965770772.db2.gz DZMJOJRMFKERAZ-AVGNSLFASA-N 2 0 228.380 1.610 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@H](C)Cc1cccc(F)c1 ZINC001168465164 965805728 /nfs/dbraw/zinc/80/57/28/965805728.db2.gz PKSWMNCVIMNELF-GHMZBOCLSA-N 2 0 224.323 1.941 20 0 BDADRP CO[C@@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000699208760 965814186 /nfs/dbraw/zinc/81/41/86/965814186.db2.gz GMWOOYSUSXDVQJ-WTUNAVPPSA-N 2 0 238.375 1.628 20 0 BDADRP [NH3+][C@@H]1CCN(c2ccc([C@H]3CCC[NH2+]3)cn2)C1 ZINC001164274838 965814998 /nfs/dbraw/zinc/81/49/98/965814998.db2.gz ALFZRNCSMGPBBA-VXGBXAGGSA-N 2 0 232.331 1.044 20 0 BDADRP [NH3+][C@H]1CCN(c2ccc([C@@H]3CCC[NH2+]3)cn2)C1 ZINC001164274837 965815725 /nfs/dbraw/zinc/81/57/25/965815725.db2.gz ALFZRNCSMGPBBA-RYUDHWBXSA-N 2 0 232.331 1.044 20 0 BDADRP [NH3+][C@@H]1CCN(c2cc(N3CCCCC3)cc[nH+]2)C1 ZINC001164279186 965820234 /nfs/dbraw/zinc/82/02/34/965820234.db2.gz OCPHRHPRQYXFKB-GFCCVEGCSA-N 2 0 246.358 1.609 20 0 BDADRP [NH3+][C@@H]1CCN(c2c[nH+]cc3cc[nH]c32)C1 ZINC001164281838 965826476 /nfs/dbraw/zinc/82/64/76/965826476.db2.gz OSEWETZAIVSDNY-SECBINFHSA-N 2 0 202.261 1.100 20 0 BDADRP CC[C@@H]1COC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000699532181 965940702 /nfs/dbraw/zinc/94/07/02/965940702.db2.gz KYJRUOVWQXZHEH-XQQFMLRXSA-N 2 0 226.364 1.343 20 0 BDADRP CC[C@@H]1COC[C@@H]1[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000699529044 965942548 /nfs/dbraw/zinc/94/25/48/965942548.db2.gz ABGFJNWIVJOOBN-LOWDOPEQSA-N 2 0 226.364 1.484 20 0 BDADRP CC[C@@H]1COC[C@@H]1[NH2+]CCn1ccnc1C ZINC000699528295 965944146 /nfs/dbraw/zinc/94/41/46/965944146.db2.gz XUMFEUQOCWCBQK-NEPJUHHUSA-N 2 0 223.320 1.206 20 0 BDADRP CN(C[C@@H]1CC[NH2+]C1)c1cc(C[NH+](C)C)ccn1 ZINC001165125919 965969338 /nfs/dbraw/zinc/96/93/38/965969338.db2.gz SNJPOKSHEKQNOJ-CYBMUJFWSA-N 2 0 248.374 1.189 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2CC[C@](C)([NH3+])C2)CC1 ZINC000715227468 965978377 /nfs/dbraw/zinc/97/83/77/965978377.db2.gz LGLGJSWAGBIEQB-BPCQOVAHSA-N 3 0 225.380 1.282 20 0 BDADRP C[NH+]1C[C@H]2CN(c3cc4[nH]ccc4c[nH+]3)C[C@@H]2C1 ZINC001165152506 965977457 /nfs/dbraw/zinc/97/74/57/965977457.db2.gz YBCKWRPLBIXGTJ-RYUDHWBXSA-N 2 0 242.326 1.561 20 0 BDADRP C[C@@H]1COC[C@H]1[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000699742071 966052845 /nfs/dbraw/zinc/05/28/45/966052845.db2.gz KUNPUXJKZQZATL-FRRDWIJNSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1COC[C@@H]1[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000699742073 966055025 /nfs/dbraw/zinc/05/50/25/966055025.db2.gz KUNPUXJKZQZATL-UPJWGTAASA-N 2 0 226.364 1.485 20 0 BDADRP CC(C)[C@@H]1C[NH2+]CCN1Cc1cccc(C[NH3+])c1 ZINC001235457857 966062700 /nfs/dbraw/zinc/06/27/00/966062700.db2.gz HWYDZNXNEDTLSO-HNNXBMFYSA-N 2 0 247.386 1.575 20 0 BDADRP Cc1cc2[nH]ccc2c(N2CCC[C@H]3[NH2+]C[C@H]32)[nH+]1 ZINC001165390226 966084138 /nfs/dbraw/zinc/08/41/38/966084138.db2.gz DDZRSYLHYIGKGJ-DGCLKSJQSA-N 2 0 242.326 1.812 20 0 BDADRP C[NH+](C)C1CCC([NH2+]Cc2cccnn2)CC1 ZINC000715290092 966183283 /nfs/dbraw/zinc/18/32/83/966183283.db2.gz DVARWSKPYNZNDQ-UHFFFAOYSA-N 2 0 234.347 1.439 20 0 BDADRP CCN(CC[C@@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC001236003768 966222290 /nfs/dbraw/zinc/22/22/90/966222290.db2.gz AKQGAKXCUWADOP-KBPBESRZSA-N 2 0 239.407 1.450 20 0 BDADRP Cc1[nH]c2ncccc2c1CN1CC[C@H]([NH3+])C1 ZINC001236170382 966289869 /nfs/dbraw/zinc/28/98/69/966289869.db2.gz WWJNGVAIPLQJMT-JTQLQIEISA-N 2 0 230.315 1.404 20 0 BDADRP C[N@H+](CC1CC[NH2+]CC1)[C@@H]1CCCC[C@H]1N ZINC001236210345 966309688 /nfs/dbraw/zinc/30/96/88/966309688.db2.gz CDJLSRFWNFBDHS-CHWSQXEVSA-N 2 0 225.380 1.188 20 0 BDADRP [NH3+][C@@H]1CN(c2[nH+]ccc3[nH]ccc32)C[C@@H]1F ZINC001166928371 966439679 /nfs/dbraw/zinc/43/96/79/966439679.db2.gz VKJTVCLYHVRAEZ-DTWKUNHWSA-N 2 0 220.251 1.048 20 0 BDADRP C[C@H]([NH3+])CN(C)CCC[NH2+]C1CCCCC1 ZINC001236885203 966609934 /nfs/dbraw/zinc/60/99/34/966609934.db2.gz AIBAABRRUVCWGG-LBPRGKRZSA-N 2 0 227.396 1.578 20 0 BDADRP [NH3+]CCCCC[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237380772 966653043 /nfs/dbraw/zinc/65/30/43/966653043.db2.gz HKRUKVNEITXBOX-STQMWFEESA-N 3 0 225.380 1.189 20 0 BDADRP C[NH+]1CCC2(C[NH+](Cc3cccc(O)c3)C2)CC1 ZINC001203864461 966804126 /nfs/dbraw/zinc/80/41/26/966804126.db2.gz XKSQEOUVUMISOT-UHFFFAOYSA-N 2 0 246.354 1.920 20 0 BDADRP CC(C)CC[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205210815 966848445 /nfs/dbraw/zinc/84/84/45/966848445.db2.gz RLXMKBFVHICSRU-LBPRGKRZSA-N 2 0 214.353 1.208 20 0 BDADRP CCN1CC[C@H]([NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC000715490433 966920718 /nfs/dbraw/zinc/92/07/18/966920718.db2.gz JXMQVYBZWVZUSE-MOKVOYLWSA-N 2 0 239.407 1.543 20 0 BDADRP CCC1(Nc2cccc3c2C[NH2+]CC3)C[NH2+]C1 ZINC001168581989 966921715 /nfs/dbraw/zinc/92/17/15/966921715.db2.gz CQDVXRHONLJGHS-UHFFFAOYSA-N 2 0 231.343 1.496 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccoc3)C[C@@H]2C1 ZINC001204242090 966934668 /nfs/dbraw/zinc/93/46/68/966934668.db2.gz SSVNHZXCVQCARH-OLZOCXBDSA-N 2 0 220.316 1.663 20 0 BDADRP C[NH+](C)C1CCC([NH2+]CCc2cnccn2)CC1 ZINC000715517306 966939707 /nfs/dbraw/zinc/93/97/07/966939707.db2.gz CZSVYMGDPAULDP-UHFFFAOYSA-N 2 0 248.374 1.482 20 0 BDADRP [NH3+]C1CCN(CCC[NH2+]C2CCCCC2)CC1 ZINC001204646456 967117403 /nfs/dbraw/zinc/11/74/03/967117403.db2.gz SRWUOZLGNLMMHM-UHFFFAOYSA-N 2 0 239.407 1.722 20 0 BDADRP C[C@]1([NH3+])CC[N@H+](C[C@H]2CCOC(C)(C)C2)C1 ZINC001204763455 967156123 /nfs/dbraw/zinc/15/61/23/967156123.db2.gz LDTYMRDUOLSFMW-AAEUAGOBSA-N 2 0 226.364 1.615 20 0 BDADRP C[NH+](C)C1CCC([NH2+]Cc2ccncn2)CC1 ZINC000715585878 967192398 /nfs/dbraw/zinc/19/23/98/967192398.db2.gz YNGIAZZOUOCIHW-UHFFFAOYSA-N 2 0 234.347 1.439 20 0 BDADRP CC[N@@H+]1CC[C@H](N[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000715580906 967193011 /nfs/dbraw/zinc/19/30/11/967193011.db2.gz OEGJTRHLNWQSNI-RDBSUJKOSA-N 2 0 239.407 1.543 20 0 BDADRP [NH3+][C@@H]1CCC[N@H+](Cc2cnc3[nH]ccc3c2)CC1 ZINC001205101677 967344161 /nfs/dbraw/zinc/34/41/61/967344161.db2.gz IWKVOAAPKIHFGB-CYBMUJFWSA-N 2 0 244.342 1.876 20 0 BDADRP [NH3+][C@H]1CCC[N@H+](Cc2cc3ncccc3[nH]2)CC1 ZINC001205116970 967362561 /nfs/dbraw/zinc/36/25/61/967362561.db2.gz KEZQCTZBDZFWAC-NSHDSACASA-N 2 0 244.342 1.876 20 0 BDADRP [NH3+][C@H]1CCC[N@H+](Cc2ccc(CCO)cc2)CC1 ZINC001205116669 967367229 /nfs/dbraw/zinc/36/72/29/967367229.db2.gz GDGJJXYQFJKDTR-HNNXBMFYSA-N 2 0 248.370 1.535 20 0 BDADRP COc1cccc(CC[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205130838 967377454 /nfs/dbraw/zinc/37/74/54/967377454.db2.gz LPZNJVDKEZPWEC-GXTWGEPZSA-N 2 0 248.370 1.764 20 0 BDADRP COc1ncc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1C ZINC001205136075 967384015 /nfs/dbraw/zinc/38/40/15/967384015.db2.gz KRPFQEKWJMQIQV-WCQYABFASA-N 2 0 249.358 1.425 20 0 BDADRP C[C@H]1C[N@H+](Cc2cn(C)nc2C2CC2)C[C@H]1C[NH3+] ZINC001205146383 967387262 /nfs/dbraw/zinc/38/72/62/967387262.db2.gz SXFQUBZPMILTFD-CMPLNLGQSA-N 2 0 248.374 1.324 20 0 BDADRP CCc1cccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)n1 ZINC001205150453 967393824 /nfs/dbraw/zinc/39/38/24/967393824.db2.gz CBFKPFCQDFZCNZ-NWDGAFQWSA-N 2 0 233.359 1.671 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCN1Cc1ccc2c(c1)C[NH2+]C2 ZINC001205197561 967421993 /nfs/dbraw/zinc/42/19/93/967421993.db2.gz RWIINMKEYCLVHZ-QMTHXVAHSA-N 2 0 231.343 1.211 20 0 BDADRP CC(C)(C)CC[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205209718 967427376 /nfs/dbraw/zinc/42/73/76/967427376.db2.gz KWAWSKKYXQEDMR-CYBMUJFWSA-N 2 0 228.380 1.598 20 0 BDADRP CC[NH+](CC)CCn1cc(CC[NH+](C)C)cn1 ZINC001250157797 967448749 /nfs/dbraw/zinc/44/87/49/967448749.db2.gz OHUWAPAJVVXKCC-UHFFFAOYSA-N 2 0 238.379 1.329 20 0 BDADRP Cn1cc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)cn1 ZINC001205266957 967457456 /nfs/dbraw/zinc/45/74/56/967457456.db2.gz YVZPBPJYROXUAG-GFCCVEGCSA-N 2 0 222.336 1.123 20 0 BDADRP Cc1nn(C)cc1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205265337 967459358 /nfs/dbraw/zinc/45/93/58/967459358.db2.gz PYNMHAPAQBPGTR-CYBMUJFWSA-N 2 0 236.363 1.432 20 0 BDADRP C[C@@]1([NH3+])CCC[N@H+](Cc2cccc(N)n2)CC1 ZINC001205280949 967469724 /nfs/dbraw/zinc/46/97/24/967469724.db2.gz MVKSHNXDEPOEDO-CYBMUJFWSA-N 2 0 234.347 1.367 20 0 BDADRP Cn1cc(C[NH+]2CCC(C[NH3+])CC2)c(C2CC2)n1 ZINC001205046762 967607943 /nfs/dbraw/zinc/60/79/43/967607943.db2.gz MEDFQJGEAZFKOT-UHFFFAOYSA-N 2 0 248.374 1.468 20 0 BDADRP C[NH2+]CCC[NH2+]CCc1ccc(F)cc1F ZINC000163333906 967637063 /nfs/dbraw/zinc/63/70/63/967637063.db2.gz ORGRPFWVNQEGIY-UHFFFAOYSA-N 2 0 228.286 1.706 20 0 BDADRP CC1(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)COC1 ZINC001205539258 967678569 /nfs/dbraw/zinc/67/85/69/967678569.db2.gz VDNMZNCAODMYQK-LBPRGKRZSA-N 2 0 230.327 1.176 20 0 BDADRP COC(=O)CCC[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205539158 967680373 /nfs/dbraw/zinc/68/03/73/967680373.db2.gz TUHGTSRYMVSCQT-LBPRGKRZSA-N 2 0 246.326 1.093 20 0 BDADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cnccn2)CC1 ZINC001205546245 967689163 /nfs/dbraw/zinc/68/91/63/967689163.db2.gz SSHJWQFHNFBNPG-GFCCVEGCSA-N 2 0 238.310 1.130 20 0 BDADRP Cc1nc[nH]c1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205602802 967720642 /nfs/dbraw/zinc/72/06/42/967720642.db2.gz MPERNXQAPXPPTD-CMPLNLGQSA-N 2 0 236.363 1.525 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2ccncc2[O-])CC[C@H]1C[NH3+] ZINC001205627551 967736466 /nfs/dbraw/zinc/73/64/66/967736466.db2.gz QNFXYYLGRGMFIB-NEPJUHHUSA-N 2 0 249.358 1.594 20 0 BDADRP C[C@H]1CCN(Cc2csnn2)CC[C@H]1C[NH3+] ZINC001205627118 967737606 /nfs/dbraw/zinc/73/76/06/967737606.db2.gz MWISUDPDQWKZMG-UWVGGRQHSA-N 2 0 240.376 1.345 20 0 BDADRP Cc1ccc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)o1 ZINC001205662578 967744774 /nfs/dbraw/zinc/74/47/74/967744774.db2.gz CJLVLAUZYVARCW-CYBMUJFWSA-N 2 0 238.331 1.264 20 0 BDADRP C[C@@]1([NH3+])C[C@H](Nc2cc(N3CCCC3)cc[nH+]2)C1 ZINC001162329059 967807506 /nfs/dbraw/zinc/80/75/06/967807506.db2.gz YPQWOSKNCJNPTM-VDISTLRHSA-N 2 0 246.358 1.974 20 0 BDADRP C[C@@H]1CC[C@H](C[NH3+])N(Cc2cccc(C[NH3+])c2)C1 ZINC001205842931 967851048 /nfs/dbraw/zinc/85/10/48/967851048.db2.gz PYDJZYVCCLWSPM-IUODEOHRSA-N 2 0 247.386 1.705 20 0 BDADRP C[C@H]1CC[C@@H](CN)[N@@H+]1CC1(C)CC[NH+](C)CC1 ZINC001205057978 967859731 /nfs/dbraw/zinc/85/97/31/967859731.db2.gz BKUBADZTSPEVJX-STQMWFEESA-N 2 0 239.407 1.530 20 0 BDADRP C[C@@H]1C[C@@H](CNc2ccc3c(c2)C[NH2+]C3)C[NH2+]1 ZINC001162556540 967865821 /nfs/dbraw/zinc/86/58/21/967865821.db2.gz JNJWEMSAABRPRF-GHMZBOCLSA-N 2 0 231.343 1.700 20 0 BDADRP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1CC1(C)CC[NH2+]CC1 ZINC001205903032 967878901 /nfs/dbraw/zinc/87/89/01/967878901.db2.gz NDRCOINVFWPWEK-CHWSQXEVSA-N 3 0 239.407 1.435 20 0 BDADRP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cccc(N)c1 ZINC001205916115 967884251 /nfs/dbraw/zinc/88/42/51/967884251.db2.gz RXFCOWLHLNUGNP-DGCLKSJQSA-N 2 0 233.359 1.828 20 0 BDADRP Cc1cccc(C)c1C[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205952804 967900269 /nfs/dbraw/zinc/90/02/69/967900269.db2.gz ARFPVQOXUBYBKF-ZIAGYGMSSA-N 2 0 234.343 1.197 20 0 BDADRP COCOCCC[N@@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205983090 967932637 /nfs/dbraw/zinc/93/26/37/967932637.db2.gz NQYKWOUKQVLNAG-STQMWFEESA-N 2 0 244.379 1.304 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cccc(=O)[nH]2)CCC[C@@H]1C[NH3+] ZINC001205991343 967941725 /nfs/dbraw/zinc/94/17/25/967941725.db2.gz ADSBEFSSLKJBFZ-VXGBXAGGSA-N 2 0 249.358 1.594 20 0 BDADRP C[C@H]1C[N@H+](CCCCCC[NH3+])CCC[C@H]1C[NH3+] ZINC001205985661 967943586 /nfs/dbraw/zinc/94/35/86/967943586.db2.gz ZKONAMMIJGWNKW-KBPBESRZSA-N 3 0 241.423 1.812 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccn(C)n2)CCC[C@@H]1C[NH3+] ZINC001205996162 967949668 /nfs/dbraw/zinc/94/96/68/967949668.db2.gz VOHAPINWGRKFRN-VXGBXAGGSA-N 2 0 236.363 1.227 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cnoc2)CCC[C@H]1C[NH3+] ZINC001205996377 967950915 /nfs/dbraw/zinc/95/09/15/967950915.db2.gz WPTJUUYPYWGMND-PWSUYJOCSA-N 2 0 223.320 1.481 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccncc2N)CCC[C@H]1C[NH3+] ZINC001206003237 967959331 /nfs/dbraw/zinc/95/93/31/967959331.db2.gz FYNABMKKXFYRSY-NEPJUHHUSA-N 2 0 248.374 1.471 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cccnn2)CCC[C@@H]1C[NH3+] ZINC001206005635 967961584 /nfs/dbraw/zinc/96/15/84/967961584.db2.gz YWMQSAJKMIVJPZ-VXGBXAGGSA-N 2 0 234.347 1.283 20 0 BDADRP C[C@@H]1CN(Cc2ccc3c(ccn3C)c2)C[C@H]1[NH3+] ZINC001206058507 968026305 /nfs/dbraw/zinc/02/63/05/968026305.db2.gz ANTGJDDFVDIWPR-BXUZGUMPSA-N 2 0 243.354 1.957 20 0 BDADRP CC[C@@H]1COC[C@H]1[NH2+]CCC[NH+](CC)CC ZINC000699550954 968087906 /nfs/dbraw/zinc/08/79/06/968087906.db2.gz HXDOPRKTSZXQNH-CHWSQXEVSA-N 2 0 228.380 1.733 20 0 BDADRP Cc1nc[nH]c1C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206304885 968214376 /nfs/dbraw/zinc/21/43/76/968214376.db2.gz QMQMUTHNTGTSSR-ZDUSSCGKSA-N 2 0 236.363 1.669 20 0 BDADRP Cc1nc[nH]c1C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206304884 968215602 /nfs/dbraw/zinc/21/56/02/968215602.db2.gz QMQMUTHNTGTSSR-CYBMUJFWSA-N 2 0 236.363 1.669 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2ccncn2)CC1 ZINC001206311886 968216919 /nfs/dbraw/zinc/21/69/19/968216919.db2.gz WKQVVQVGJYOMTI-CYBMUJFWSA-N 2 0 234.347 1.428 20 0 BDADRP [NH3+]CCONc1cccc(C2=[NH+]CCC2)c1 ZINC001164435944 968231508 /nfs/dbraw/zinc/23/15/08/968231508.db2.gz SPLMFAGOQLZHQT-UHFFFAOYSA-N 2 0 219.288 1.572 20 0 BDADRP C[NH+](C)CCn1cc(-c2ccc(C[NH3+])cc2)cn1 ZINC001206340625 968244493 /nfs/dbraw/zinc/24/44/93/968244493.db2.gz SRWXVCZEAXOPLO-UHFFFAOYSA-N 2 0 244.342 1.570 20 0 BDADRP CN(C)c1ccc(CC[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1 ZINC001331821967 968256270 /nfs/dbraw/zinc/25/62/70/968256270.db2.gz OTNCYAZWYBCFQT-HUUCEWRRSA-N 2 0 247.386 1.765 20 0 BDADRP C[C@H]1CN(Cc2ccc3c(c2)CC[NH2+]C3)CC[NH2+]1 ZINC001206389781 968274317 /nfs/dbraw/zinc/27/43/17/968274317.db2.gz SYNIGXZOXLMVSV-LBPRGKRZSA-N 2 0 245.370 1.126 20 0 BDADRP Cc1cc(C)cc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206511977 968345159 /nfs/dbraw/zinc/34/51/59/968345159.db2.gz FXAKGWOWIJGMQQ-KBPBESRZSA-N 2 0 234.343 1.055 20 0 BDADRP Cc1ccc2[nH+]c(N)n(-c3cc[nH+]c(N)c3)c2c1 ZINC001206522354 968349715 /nfs/dbraw/zinc/34/97/15/968349715.db2.gz MJQXMADBDJLZGG-UHFFFAOYSA-N 2 0 239.282 1.893 20 0 BDADRP C[C@]1(C[NH3+])CCCC[N@H+](Cc2ccc(=O)[nH]c2)C1 ZINC001206548156 968370894 /nfs/dbraw/zinc/37/08/94/968370894.db2.gz HQJBUOPRQMULEN-CQSZACIVSA-N 2 0 249.358 1.738 20 0 BDADRP C[C@H](O)C[NH2+]CCc1c[nH]c2cc[nH+]cc12 ZINC001251974177 968413691 /nfs/dbraw/zinc/41/36/91/968413691.db2.gz WSMMCJCTEYTJOR-VIFPVBQESA-N 2 0 219.288 1.076 20 0 BDADRP [NH3+]C[C@@H]1CCCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC001206606540 968414665 /nfs/dbraw/zinc/41/46/65/968414665.db2.gz ONAQIGIQEVXAOC-KGLIPLIRSA-N 2 0 239.407 1.437 20 0 BDADRP Cc1cc(CN2CCCC[C@H](C[NH3+])C2)[nH]n1 ZINC001206606357 968415349 /nfs/dbraw/zinc/41/53/49/968415349.db2.gz LQLSRSMNKUQFIG-LLVKDONJSA-N 2 0 222.336 1.279 20 0 BDADRP [NH3+]C[C@@H]1CCCC[N@H+](Cc2cc[nH]c(=O)c2)C1 ZINC001206616069 968417968 /nfs/dbraw/zinc/41/79/68/968417968.db2.gz NHYJNVYDDBQZSB-LBPRGKRZSA-N 2 0 235.331 1.348 20 0 BDADRP COc1cc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)ccn1 ZINC001206615169 968418181 /nfs/dbraw/zinc/41/81/81/968418181.db2.gz DOBUKBWZMUDKEA-ZDUSSCGKSA-N 2 0 249.358 1.651 20 0 BDADRP CCc1nccc(CN2CCCC[C@@H](C[NH3+])C2)n1 ZINC001206616926 968418964 /nfs/dbraw/zinc/41/89/64/968418964.db2.gz UJRQCIAZRXMMDF-LBPRGKRZSA-N 2 0 248.374 1.600 20 0 BDADRP CCC[N@H+](CCC[NH+](C)C)C[C@@H](O)COCC ZINC001252032244 968453418 /nfs/dbraw/zinc/45/34/18/968453418.db2.gz GQTATOKXCCLEMT-CYBMUJFWSA-N 2 0 246.395 1.048 20 0 BDADRP C[C@@H]([NH3+])CN1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001206749799 968454245 /nfs/dbraw/zinc/45/42/45/968454245.db2.gz NNTHPBWGCJNXJN-CYBMUJFWSA-N 3 0 247.386 1.326 20 0 BDADRP CCCC[C@H](O)C[N@H+](CC)CCC[NH+](C)C ZINC001252095563 968575473 /nfs/dbraw/zinc/57/54/73/968575473.db2.gz AEWHCFOXIAPXJK-ZDUSSCGKSA-N 2 0 230.396 1.811 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+](Cc1cccc(=O)[nH]1)CC2 ZINC001207069307 968599651 /nfs/dbraw/zinc/59/96/51/968599651.db2.gz ANXRMJJEGAGMJV-UHFFFAOYSA-N 2 0 247.342 1.315 20 0 BDADRP CCCC[C@H](O)C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001252118737 968602930 /nfs/dbraw/zinc/60/29/30/968602930.db2.gz JZJJMEJXDCZPQB-RDBSUJKOSA-N 2 0 242.407 2.000 20 0 BDADRP CCCC[C@H](O)C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC001252119999 968605823 /nfs/dbraw/zinc/60/58/23/968605823.db2.gz LGJTUGJBNWEJIG-AGIUHOORSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@H]1C[C@H]1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205985648 968669086 /nfs/dbraw/zinc/66/90/86/968669086.db2.gz ZCKLESAVYSESNO-RNJOBUHISA-N 2 0 210.365 1.949 20 0 BDADRP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@](C)(O)C1 ZINC001207286511 968691535 /nfs/dbraw/zinc/69/15/35/968691535.db2.gz VNYIOPULSLZFFN-ZDUSSCGKSA-N 2 0 228.380 1.421 20 0 BDADRP CC[C@@]12C[C@@H](CO1)[N@H+](CC1CC[NH+](C)CC1)C2 ZINC001207399895 968750654 /nfs/dbraw/zinc/75/06/54/968750654.db2.gz YNNQWXWURMPCNX-KBPBESRZSA-N 2 0 238.375 1.582 20 0 BDADRP C[NH+]1CCC(C[NH+]2CCC3(CCO3)CC2)CC1 ZINC001207398646 968751282 /nfs/dbraw/zinc/75/12/82/968751282.db2.gz FRIQASLTQMNTPE-UHFFFAOYSA-N 2 0 238.375 1.583 20 0 BDADRP C[NH+]1CCC(CN2CC([NH+]3CCCC3)C2)CC1 ZINC001207398408 968752524 /nfs/dbraw/zinc/75/25/24/968752524.db2.gz NIGOYAYXCMMOOC-UHFFFAOYSA-N 2 0 237.391 1.108 20 0 BDADRP C(C1CC[NH2+]CC1)[NH+]1CC2(C1)CCCCO2 ZINC001207436221 968769744 /nfs/dbraw/zinc/76/97/44/968769744.db2.gz XZBVWZNJKOSPDK-UHFFFAOYSA-N 2 0 224.348 1.241 20 0 BDADRP C[C@H]1CC[N@H+](CC2CC[NH2+]CC2)CC[C@@H]1O ZINC001207436539 968770239 /nfs/dbraw/zinc/77/02/39/968770239.db2.gz NKPGRTHOFDYJAK-AAEUAGOBSA-N 2 0 226.364 1.079 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CCCCC12COC2 ZINC001207437236 968771389 /nfs/dbraw/zinc/77/13/89/968771389.db2.gz FLLHVDFJPPXESX-UHFFFAOYSA-N 2 0 224.348 1.241 20 0 BDADRP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)C2(CC2)C1 ZINC001207441177 968773456 /nfs/dbraw/zinc/77/34/56/968773456.db2.gz VGFZUMFPCDFFEJ-NSHDSACASA-N 2 0 208.349 1.860 20 0 BDADRP C[NH+]1CCC2(C[NH+](CC3CC[NH2+]CC3)C2)CC1 ZINC001207440671 968773864 /nfs/dbraw/zinc/77/38/64/968773864.db2.gz BPHBKTLKRNXIKI-UHFFFAOYSA-N 3 0 237.391 1.014 20 0 BDADRP FC1C[C@@H]2COC[C@H](C1)[N@@H+]2CC1CC[NH2+]CC1 ZINC001207439400 968773938 /nfs/dbraw/zinc/77/39/38/968773938.db2.gz SBTOZBDEQSPVLM-YHWZYXNKSA-N 2 0 242.338 1.187 20 0 BDADRP C[C@H]1CC[C@@H](CO)[N@@H+]1CCC1CC[NH+](C)CC1 ZINC001207479740 968793956 /nfs/dbraw/zinc/79/39/56/968793956.db2.gz MNVBCQQLJQNNPP-JSGCOSHPSA-N 2 0 240.391 1.564 20 0 BDADRP COC[C@@H]1CC[N@H+](CCC2CC[NH+](C)CC2)C1 ZINC001207480002 968794602 /nfs/dbraw/zinc/79/46/02/968794602.db2.gz SEZJFSFDGZNOLP-CQSZACIVSA-N 2 0 240.391 1.687 20 0 BDADRP COCC1C[NH+](CCC2CC[NH+](C)CC2)C1 ZINC001207480011 968796295 /nfs/dbraw/zinc/79/62/95/968796295.db2.gz SUKOKWDERYFNSY-UHFFFAOYSA-N 2 0 226.364 1.297 20 0 BDADRP C[C@@H]1COCC[N@H+](CCC2CC[NH+](C)CC2)C1 ZINC001207480140 968796690 /nfs/dbraw/zinc/79/66/90/968796690.db2.gz UTKLYSHEQHGKLU-ZDUSSCGKSA-N 2 0 240.391 1.687 20 0 BDADRP C[C@H]1C[N@H+](CCC2CC[NH+](C)CC2)CCO1 ZINC001207479963 968797036 /nfs/dbraw/zinc/79/70/36/968797036.db2.gz QUQPDRLUTGETFZ-LBPRGKRZSA-N 2 0 226.364 1.439 20 0 BDADRP C[C@H]1C[N@H+](CCC2CC[NH+](C)CC2)CCCO1 ZINC001207479992 968798757 /nfs/dbraw/zinc/79/87/57/968798757.db2.gz RMVJEEYBTHCQAY-ZDUSSCGKSA-N 2 0 240.391 1.829 20 0 BDADRP CN(CCC[NH+](C)C)C[C@H]1CCCCO1 ZINC000336642848 968800479 /nfs/dbraw/zinc/80/04/79/968800479.db2.gz BAGNBQIOVAHXNZ-GFCCVEGCSA-N 2 0 214.353 1.439 20 0 BDADRP C[NH+]1CCC(CC[N@@H+]2C[C@H]3CC[C@@H]2CO3)CC1 ZINC001207489326 968802320 /nfs/dbraw/zinc/80/23/20/968802320.db2.gz ZBWVMWRFQHISOG-ZIAGYGMSSA-N 2 0 238.375 1.582 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]C[C@@H]3C[C@H]4C[C@H]4C3)[C@H]2C1 ZINC001207836538 968895259 /nfs/dbraw/zinc/89/52/59/968895259.db2.gz IYUFUFQXYOKIMD-LOVFCKMRSA-N 2 0 234.387 1.962 20 0 BDADRP COC1CC([NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)C1 ZINC001207836614 968896341 /nfs/dbraw/zinc/89/63/41/968896341.db2.gz KARBTFVSPVSBSF-RXDNMWQFSA-N 2 0 224.348 1.094 20 0 BDADRP CC[N@H+]1C[C@@H]2C[NH+](C[C@H]3CCCCO3)C[C@@H]2C1 ZINC001207963335 968960580 /nfs/dbraw/zinc/96/05/80/968960580.db2.gz GCDCQUDYLGXUOL-HZSPNIEDSA-N 2 0 238.375 1.439 20 0 BDADRP CCN1CC[C@@H]([NH2+]CCCC[NH+](C)C)C1 ZINC000328518092 968961629 /nfs/dbraw/zinc/96/16/29/968961629.db2.gz QLHDVXRNMQEGES-GFCCVEGCSA-N 2 0 213.369 1.012 20 0 BDADRP CCC[C@H](O)C[NH2+]C(C)(C)CC[NH+](C)C ZINC001252804893 968991088 /nfs/dbraw/zinc/99/10/88/968991088.db2.gz ZFACNHPSGBRQAT-NSHDSACASA-N 2 0 216.369 1.467 20 0 BDADRP CN1C[C@@H]2C[C@H]1C[N@@H+]2CC1(C)CC[NH+](C)CC1 ZINC001208108254 968999462 /nfs/dbraw/zinc/99/94/62/968999462.db2.gz CFLRPCHOTZUTTK-STQMWFEESA-N 2 0 237.391 1.107 20 0 BDADRP CO[C@@H]1C[N@H+](CC2(C)CC[NH+](C)CC2)C[C@@H]1F ZINC001208105666 969001671 /nfs/dbraw/zinc/00/16/71/969001671.db2.gz AWENHSXWQCBEQD-NWDGAFQWSA-N 2 0 244.354 1.387 20 0 BDADRP C[C@H]1C[N@H+](CC2(C)CC[NH+](C)CC2)C[C@H]1O ZINC001208105656 969001824 /nfs/dbraw/zinc/00/18/24/969001824.db2.gz AURMQFSWQCJINF-NWDGAFQWSA-N 2 0 226.364 1.031 20 0 BDADRP CO[C@H](C)C1C[NH+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208110446 969006427 /nfs/dbraw/zinc/00/64/27/969006427.db2.gz CZNUOPFIDONABL-GFCCVEGCSA-N 2 0 240.391 1.685 20 0 BDADRP Cc1cnc(N[C@H](C)C[NH+](C)C)c(C[NH3+])c1 ZINC001155921116 969124782 /nfs/dbraw/zinc/12/47/82/969124782.db2.gz JOGDEVMLIOQSOQ-SNVBAGLBSA-N 2 0 222.336 1.211 20 0 BDADRP CCCCCC[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253384022 969145960 /nfs/dbraw/zinc/14/59/60/969145960.db2.gz MEIFVWLAEOPLOF-LBPRGKRZSA-N 2 0 230.396 1.905 20 0 BDADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]CC1CCCC1 ZINC001253383797 969146528 /nfs/dbraw/zinc/14/65/28/969146528.db2.gz KMRSIFAUSFDNNL-LBPRGKRZSA-N 2 0 228.380 1.515 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CC[C@H](F)[C@H](O)C2)CC1 ZINC001208592225 969148519 /nfs/dbraw/zinc/14/85/19/969148519.db2.gz FFSUEQFGTFSUGV-QWHCGFSZSA-N 2 0 244.354 1.123 20 0 BDADRP CC[NH+]1CCC(C[N@H+](C)[C@H]2CCN(C)C2)CC1 ZINC001208597620 969149548 /nfs/dbraw/zinc/14/95/48/969149548.db2.gz JRVZKTLAQCQBPW-AWEZNQCLSA-N 2 0 239.407 1.354 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH+]2CC[C@@H]3COC[C@@H]3C2)C1 ZINC001208605200 969156280 /nfs/dbraw/zinc/15/62/80/969156280.db2.gz ANIFJAFNASZDCK-MJBXVCDLSA-N 2 0 238.375 1.297 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH+]2CC[C@]3(CCOC3)C2)C1 ZINC001208605190 969156451 /nfs/dbraw/zinc/15/64/51/969156451.db2.gz ALVOHTUVMOTEEL-KGLIPLIRSA-N 2 0 238.375 1.441 20 0 BDADRP CC[N@@H+]1CCCN(C[C@H]2CCC[NH+](C)C2)CC1 ZINC001208603288 969158190 /nfs/dbraw/zinc/15/81/90/969158190.db2.gz AEEMDKRYQWPTTI-AWEZNQCLSA-N 2 0 239.407 1.356 20 0 BDADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@H]1C[C@H]1C1CC1 ZINC001253412430 969167491 /nfs/dbraw/zinc/16/74/91/969167491.db2.gz HYFCWKXFEPNMMH-SRVKXCTJSA-N 2 0 226.364 1.124 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccnn2C)CCC[C@H]1C[NH3+] ZINC001205991344 969203512 /nfs/dbraw/zinc/20/35/12/969203512.db2.gz AEOBVJBARTWUPG-NEPJUHHUSA-N 2 0 236.363 1.227 20 0 BDADRP Cc1ncn(-c2cc[nH+]cc2)c1CSCC[NH3+] ZINC001168784532 969215210 /nfs/dbraw/zinc/21/52/10/969215210.db2.gz OHDUUYAVGCRSPR-UHFFFAOYSA-N 2 0 248.355 1.768 20 0 BDADRP Cc1cc2[nH]ccc2c(N2CC[C@H]([NH3+])C2)[nH+]1 ZINC001156227139 969227133 /nfs/dbraw/zinc/22/71/33/969227133.db2.gz PSPYXZXNLDDFKB-VIFPVBQESA-N 2 0 216.288 1.409 20 0 BDADRP Cc1cnc(C[NH3+])n1-c1ccccc1CC[NH3+] ZINC001169028349 969347118 /nfs/dbraw/zinc/34/71/18/969347118.db2.gz BXISFQQVGSAGJM-UHFFFAOYSA-N 2 0 230.315 1.141 20 0 BDADRP Cc1cnc(C[NH3+])n1-c1c[nH+]cc2cc[nH]c21 ZINC001169029812 969347395 /nfs/dbraw/zinc/34/73/95/969347395.db2.gz YKPYXTZZIVUQAN-UHFFFAOYSA-N 2 0 227.271 1.516 20 0 BDADRP Cc1n[nH]cc1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205996355 969365475 /nfs/dbraw/zinc/36/54/75/969365475.db2.gz WKENIJWCJTXTKC-CMPLNLGQSA-N 2 0 236.363 1.525 20 0 BDADRP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](NC[C@H]1CC[N@@H+](C)C1)C2 ZINC001169095745 969386199 /nfs/dbraw/zinc/38/61/99/969386199.db2.gz SKOIKEPDOLOTMF-YIYPIFLZSA-N 3 0 237.391 1.153 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H]1CCCOC1)C2 ZINC001169094551 969387553 /nfs/dbraw/zinc/38/75/53/969387553.db2.gz MKJBPCYVSRPMMB-YIYPIFLZSA-N 2 0 238.375 1.628 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1C[C@](C)(O)C1)C2 ZINC001169097892 969393466 /nfs/dbraw/zinc/39/34/66/969393466.db2.gz DWJUISPRVOENSN-XXCSZPINSA-N 2 0 224.348 1.115 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CC(F)(F)C1)C2 ZINC001169078423 969395310 /nfs/dbraw/zinc/39/53/10/969395310.db2.gz FIXLKKMHSBBDID-UIKWRGBMSA-N 2 0 230.302 1.999 20 0 BDADRP CC(C)C[C@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169079706 969396018 /nfs/dbraw/zinc/39/60/18/969396018.db2.gz KPPHOGSYMMAOMD-SYQHCUMBSA-N 2 0 240.391 1.608 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1cccnc1)C2 ZINC001169081334 969401595 /nfs/dbraw/zinc/40/15/95/969401595.db2.gz RIZAWXIIRHUFEX-QDMKHBRRSA-N 2 0 245.370 1.839 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H]1CC[C@@H](O)C1)C2 ZINC001169079800 969401845 /nfs/dbraw/zinc/40/18/45/969401845.db2.gz LPKAGGYWTNQOSU-RKQHYHRCSA-N 2 0 238.375 1.362 20 0 BDADRP CC1CC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169079824 969404741 /nfs/dbraw/zinc/40/47/41/969404741.db2.gz LVONMXWPLPFKFZ-PAZDGXDMSA-N 2 0 208.349 2.000 20 0 BDADRP C[C@H]1C[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CCCO1 ZINC001169125380 969426867 /nfs/dbraw/zinc/42/68/67/969426867.db2.gz HMHNDUAAMNJCKF-IGQOVBAYSA-N 2 0 238.375 1.722 20 0 BDADRP C[C@H]1CC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169126786 969431246 /nfs/dbraw/zinc/43/12/46/969431246.db2.gz XPKOHCMWHSJTIP-RVMXOQNASA-N 2 0 208.349 1.953 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCC[C@H](O)C1)C2 ZINC001169126164 969431484 /nfs/dbraw/zinc/43/14/84/969431484.db2.gz QMCFDZHYPODNJJ-DGAVXFQQSA-N 2 0 238.375 1.458 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1C[C@@H]3COC[C@@H]3C1)C2 ZINC001169131638 969440378 /nfs/dbraw/zinc/44/03/78/969440378.db2.gz WTTPIXPCACRIGX-KCLGILNXSA-N 2 0 236.359 1.190 20 0 BDADRP COC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CC1 ZINC001169109306 969445622 /nfs/dbraw/zinc/44/56/22/969445622.db2.gz AFNADMDTOBMMOV-YIYPIFLZSA-N 2 0 238.375 1.626 20 0 BDADRP COC(=O)CC[N@H+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169153576 969475206 /nfs/dbraw/zinc/47/52/06/969475206.db2.gz JVQWKDBBSWHLEJ-ZSBIGDGJSA-N 2 0 240.347 1.107 20 0 BDADRP C[C@H]1C[N@H+](Cc2cc[nH]c2)CCC[C@H]1C[NH3+] ZINC001206004174 969478158 /nfs/dbraw/zinc/47/81/58/969478158.db2.gz QWXQRZLYTKXSGD-AAEUAGOBSA-N 2 0 221.348 1.822 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001209421755 969485504 /nfs/dbraw/zinc/48/55/04/969485504.db2.gz NWGABLHUIIVSIS-ZIAGYGMSSA-N 2 0 239.407 1.212 20 0 BDADRP CCC[N@H+]1C[C@@H]2C[NH+](C[C@@H]3C[C@H]3C)C[C@@H]2C1 ZINC001209430013 969498523 /nfs/dbraw/zinc/49/85/23/969498523.db2.gz IYICIFHLGUBVEF-RQJABVFESA-N 2 0 222.376 1.916 20 0 BDADRP C[C@@H]1C[C@@H]1C[N@H+]1C[C@H]2[C@H](C1)CCCN2C ZINC001209433430 969502762 /nfs/dbraw/zinc/50/27/62/969502762.db2.gz UCGVEJVQCTVXIV-XQHKEYJVSA-N 2 0 208.349 1.668 20 0 BDADRP CCC[N@H+]1C[C@H]2CN(Cc3c[nH]nc3C)C[C@H]2C1 ZINC001209559662 969545085 /nfs/dbraw/zinc/54/50/85/969545085.db2.gz ZTULJARCHPIMGV-OKILXGFUSA-N 2 0 248.374 1.492 20 0 BDADRP CCCC[N@H+](C)CCC[NH2+][C@@H]1CCCOC1 ZINC001254367786 969581105 /nfs/dbraw/zinc/58/11/05/969581105.db2.gz MAMFILHUMZSKPC-CYBMUJFWSA-N 2 0 228.380 1.877 20 0 BDADRP C(C1CCC1)N1CC[C@H]([NH2+][C@H]2CCCOC2)C1 ZINC001254371654 969584375 /nfs/dbraw/zinc/58/43/75/969584375.db2.gz LWRDFIZMBJDWCW-KBPBESRZSA-N 2 0 238.375 1.629 20 0 BDADRP C[NH+](C)[C@H]1CC[C@H]([NH2+][C@@H]2CCCOC2)CC1 ZINC001254372353 969585179 /nfs/dbraw/zinc/58/51/79/969585179.db2.gz RYTRIOGSDLRLIY-JHJVBQTASA-N 2 0 226.364 1.628 20 0 BDADRP CC(C)(C)[NH+]1CCN(Cc2c[nH+]ccc2N)CC1 ZINC001209731087 969592147 /nfs/dbraw/zinc/59/21/47/969592147.db2.gz NINBJXZXTNMVGE-UHFFFAOYSA-N 2 0 248.374 1.410 20 0 BDADRP C[N@@H+]1CCC[C@@H]2CN(Cc3c[nH+]ccc3N)C[C@H]21 ZINC001209733017 969593201 /nfs/dbraw/zinc/59/32/01/969593201.db2.gz OYOWIZDCTCEUOQ-BXUZGUMPSA-N 2 0 246.358 1.020 20 0 BDADRP C[N@@H+](Cc1cnccc1N)CC1CC[NH+](C)CC1 ZINC001209734455 969598081 /nfs/dbraw/zinc/59/80/81/969598081.db2.gz PVXLMIMHVWDHDL-UHFFFAOYSA-N 2 0 248.374 1.268 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+]([C@@H]1CCCOC1)CC2 ZINC001254386971 969604803 /nfs/dbraw/zinc/60/48/03/969604803.db2.gz WGOORRSKAJGELJ-GFCCVEGCSA-N 2 0 224.348 1.193 20 0 BDADRP Cc1ccc(C[NH2+][C@H]2CCC[N@H+](C)CC2)n1C ZINC001254499791 969657614 /nfs/dbraw/zinc/65/76/14/969657614.db2.gz APCZUOXKZFZFEU-ZDUSSCGKSA-N 2 0 235.375 1.907 20 0 BDADRP C[N@@H+]1CCC[C@@H](n2ccc(CC[NH3+])n2)CC1 ZINC001254499792 969659267 /nfs/dbraw/zinc/65/92/67/969659267.db2.gz ARRJDIFVMQVFOB-GFCCVEGCSA-N 2 0 222.336 1.041 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](C)N1CC[C@@H]1CCCC[NH2+]1 ZINC001209856480 969667306 /nfs/dbraw/zinc/66/73/06/969667306.db2.gz FMUGKOZCDMJFMG-XQQFMLRXSA-N 2 0 225.380 1.201 20 0 BDADRP C[N@@H+]1CCC[C@H](n2ccc(C[NH3+])c2)CC1 ZINC001254505462 969676281 /nfs/dbraw/zinc/67/62/81/969676281.db2.gz GORIMQGJGSWDSQ-LBPRGKRZSA-N 2 0 207.321 1.604 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH+]2CC3(C2)CCOC3)CC1 ZINC001254516392 969685440 /nfs/dbraw/zinc/68/54/40/969685440.db2.gz MHHUORGSYAWGDF-GFCCVEGCSA-N 2 0 224.348 1.193 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH+]2CC[C@@H](O)[C@@H](F)CC2)CC1 ZINC001254515695 969691459 /nfs/dbraw/zinc/69/14/59/969691459.db2.gz AZOZPRRXHWTLDN-RWMBFGLXSA-N 2 0 244.354 1.266 20 0 BDADRP CCC[N@H+](CCOC)[C@H]1CCC[NH+](C)CC1 ZINC001254515873 969691717 /nfs/dbraw/zinc/69/17/17/969691717.db2.gz FROCZQLANUHISV-ZDUSSCGKSA-N 2 0 228.380 1.829 20 0 BDADRP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254521209 969700135 /nfs/dbraw/zinc/70/01/35/969700135.db2.gz SRXBZFDWFVMERN-VXGBXAGGSA-N 2 0 212.337 1.191 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH+]2CCC[C@](C)(O)C2)CC1 ZINC001254524389 969704486 /nfs/dbraw/zinc/70/44/86/969704486.db2.gz WHTCCIYXRHYILA-STQMWFEESA-N 2 0 226.364 1.318 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH+]2C[C@H]3CC[C@@H]2C3)CC1 ZINC001254527524 969721057 /nfs/dbraw/zinc/72/10/57/969721057.db2.gz ZBPMIKUEVFVZAE-YNEHKIRRSA-N 2 0 208.349 1.955 20 0 BDADRP CCC1(O)CC[NH+]([C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254525213 969722893 /nfs/dbraw/zinc/72/28/93/969722893.db2.gz HGYMFCHGBALRSC-ZDUSSCGKSA-N 2 0 240.391 1.708 20 0 BDADRP C[NH+](C)Cc1cccc(NCC[C@H]2CCC[NH2+]2)n1 ZINC001169562345 969758180 /nfs/dbraw/zinc/75/81/80/969758180.db2.gz AZKGTWMUBVGGMQ-GFCCVEGCSA-N 2 0 248.374 1.697 20 0 BDADRP c1[nH+]cn2cccc(NCC[C@H]3CCC[NH2+]3)c12 ZINC001169568959 969766645 /nfs/dbraw/zinc/76/66/45/969766645.db2.gz HFXFHNXKIWZIKS-LLVKDONJSA-N 2 0 230.315 1.888 20 0 BDADRP [NH3+]CCCC[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000723634711 969793596 /nfs/dbraw/zinc/79/35/96/969793596.db2.gz VKOIEPHMSSLFMY-YNEHKIRRSA-N 2 0 226.364 1.520 20 0 BDADRP C[C@@H]([NH3+])c1nccn1[C@H]1CC2CC[NH+](CC2)C1 ZINC001254832951 969796271 /nfs/dbraw/zinc/79/62/71/969796271.db2.gz KWRHMTXZONCQAJ-PWSUYJOCSA-N 2 0 234.347 1.560 20 0 BDADRP COC[C@H]1CC[N@@H+]1[C@@H]1CC2CCN(CC2)C1 ZINC001254865229 969813106 /nfs/dbraw/zinc/81/31/06/969813106.db2.gz CDDNCFQTRLSMAG-CHWSQXEVSA-N 2 0 224.348 1.191 20 0 BDADRP c1cn([C@@H]2CC3CC[NH+](CC3)C2)c2c1C[NH2+]CC2 ZINC001254867202 969813481 /nfs/dbraw/zinc/81/34/81/969813481.db2.gz HBBRUPLVPQJBQZ-CQSZACIVSA-N 2 0 245.370 1.791 20 0 BDADRP Cc1cc(-n2ccc(C[NH3+])c2)cc(C)[nH+]1 ZINC001169726317 969819300 /nfs/dbraw/zinc/81/93/00/969819300.db2.gz RWTWBDGLAOWFTK-UHFFFAOYSA-N 2 0 201.273 1.948 20 0 BDADRP CC(C)[N@H+](CCC[NH3+])C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001254922195 969822022 /nfs/dbraw/zinc/82/20/22/969822022.db2.gz MVLYPRIHUJZRDB-RYUDHWBXSA-N 2 0 238.375 1.803 20 0 BDADRP C[n+]1cccc(NC(C)(C)CC[NH+](C)C)c1 ZINC001169718558 969832035 /nfs/dbraw/zinc/83/20/35/969832035.db2.gz WESWFFDKWQFLKW-UHFFFAOYSA-N 2 0 222.356 1.653 20 0 BDADRP [NH3+]CCCCCCC[NH2+]C1CCOCC1 ZINC001255034159 969858102 /nfs/dbraw/zinc/85/81/02/969858102.db2.gz IULRSDFYZTWAMU-UHFFFAOYSA-N 2 0 214.353 1.664 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H]([NH2+]C2CCOCC2)[C@@H](C)C1 ZINC001255038733 969860755 /nfs/dbraw/zinc/86/07/55/969860755.db2.gz QCLQWZJAPIZHLZ-GXTWGEPZSA-N 2 0 240.391 1.874 20 0 BDADRP Cc1ccc(NCC23CC[NH+](CC2)CC3)[nH+]c1N ZINC001169794260 969861099 /nfs/dbraw/zinc/86/10/99/969861099.db2.gz JVPBLLZBLDBXSJ-UHFFFAOYSA-N 2 0 246.358 1.870 20 0 BDADRP C[NH2+]CCCN1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001210311664 969862086 /nfs/dbraw/zinc/86/20/86/969862086.db2.gz MGMUGJOPILPKCT-HNNXBMFYSA-N 2 0 247.386 1.112 20 0 BDADRP CC1(C)CC([NH2+]C2CC([NH3+])C2)CC(C)(C)N1O ZINC001169981272 969931916 /nfs/dbraw/zinc/93/19/16/969931916.db2.gz SGKBEFNFJLNCSD-UHFFFAOYSA-N 2 0 241.379 1.477 20 0 BDADRP CC=C(NC=[NH2+])c1cnn(C2CC[NH+](C)CC2)c1 ZINC001242725752 970036608 /nfs/dbraw/zinc/03/66/08/970036608.db2.gz AARCXGKEDWGYJG-DXNYSGJVSA-N 2 0 247.346 1.707 20 0 BDADRP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+]([C@H]1CCSC1)C2 ZINC001255293164 970055240 /nfs/dbraw/zinc/05/52/40/970055240.db2.gz KOCKSQZLWQZPFE-GRYCIOLGSA-N 2 0 226.389 1.375 20 0 BDADRP CC(C)CCC[C@H](C)[NH2+]CCOCC[NH3+] ZINC001170061544 970120386 /nfs/dbraw/zinc/12/03/86/970120386.db2.gz UANWGGRIVKVFLQ-LBPRGKRZSA-N 2 0 216.369 1.766 20 0 BDADRP CN1CC[C@H]([NH2+]Cc2ccc(C[NH+](C)C)cc2)C1 ZINC001255411421 970127437 /nfs/dbraw/zinc/12/74/37/970127437.db2.gz ITVXDHNGTGUOFO-HNNXBMFYSA-N 2 0 247.386 1.542 20 0 BDADRP CC[NH+](CC)C1CCN([C@@H]2CC[N@H+](C)C2)CC1 ZINC001255435290 970159332 /nfs/dbraw/zinc/15/93/32/970159332.db2.gz DFMLQCJSSCBMKX-CQSZACIVSA-N 2 0 239.407 1.497 20 0 BDADRP C[N@@H+]1CC[C@H](N2CC[NH+](C3CCCC3)CC2)C1 ZINC001255435253 970161328 /nfs/dbraw/zinc/16/13/28/970161328.db2.gz CMFRDSSYOXIPPJ-AWEZNQCLSA-N 2 0 237.391 1.251 20 0 BDADRP C[N@@H+]1CC[C@@H](n2ccc3c2CC[NH2+]C3)C1 ZINC001255441344 970171449 /nfs/dbraw/zinc/17/14/49/970171449.db2.gz NPGHGLVEVZEKKD-LLVKDONJSA-N 2 0 205.305 1.010 20 0 BDADRP C[N@@H+]1CCC[C@@H](N2C[C@H]([NH3+])Cc3ccccc32)C1 ZINC001255468030 970192628 /nfs/dbraw/zinc/19/26/28/970192628.db2.gz OELLWORNEORRPN-ZIAGYGMSSA-N 2 0 245.370 1.471 20 0 BDADRP C[N@@H+]1CCC[C@H](N2C[C@H]([NH3+])Cc3ccccc32)C1 ZINC001255468028 970195209 /nfs/dbraw/zinc/19/52/09/970195209.db2.gz OELLWORNEORRPN-KGLIPLIRSA-N 2 0 245.370 1.471 20 0 BDADRP Cc1ccc(C[NH3+])nc1N(C)[C@@H]1CCC[N@H+](C)C1 ZINC001255466626 970196409 /nfs/dbraw/zinc/19/64/09/970196409.db2.gz XSZPEUWAJZBWJS-CYBMUJFWSA-N 2 0 248.374 1.379 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)CN1[C@H]1CCC[NH+](C)C1 ZINC001255484200 970226257 /nfs/dbraw/zinc/22/62/57/970226257.db2.gz WZNJIMMHVXXTMW-XQQFMLRXSA-N 2 0 225.380 1.105 20 0 BDADRP CC[N@@H+]1CCN([C@@H]2CCC[NH+](C)C2)[C@H](C)C1 ZINC001255493369 970256547 /nfs/dbraw/zinc/25/65/47/970256547.db2.gz CGJCRWLNJRUBDW-CHWSQXEVSA-N 2 0 225.380 1.107 20 0 BDADRP C[C@H]1CC[C@H]([NH+]2CCN(CCC[NH3+])CC2)C1 ZINC001170101699 970288935 /nfs/dbraw/zinc/28/89/35/970288935.db2.gz OWERXUQTXOJKCB-STQMWFEESA-N 2 0 225.380 1.141 20 0 BDADRP C[C@H]1CC[C@@H](NC(=[NH2+])NCCCC[NH3+])C1 ZINC001170104916 970299575 /nfs/dbraw/zinc/29/95/75/970299575.db2.gz OEMBRMFWUDLRMF-VHSXEESVSA-N 2 0 212.341 1.028 20 0 BDADRP COC[C@H](C)[NH2+][C@H]1CC[C@@H]([NH+](C)C)CC1 ZINC001255566703 970359014 /nfs/dbraw/zinc/35/90/14/970359014.db2.gz MSDJJIZWIFEOQB-SDDRHHMPSA-N 2 0 214.353 1.484 20 0 BDADRP C[C@@H]1CC[C@@H]([NH+]2CC(N3CC[NH+](C)CC3)C2)C1 ZINC001170160460 970499966 /nfs/dbraw/zinc/49/99/66/970499966.db2.gz ZOKXJLKWQTXBNK-CHWSQXEVSA-N 2 0 237.391 1.107 20 0 BDADRP C[C@@H](Cc1ccc(F)cc1)[NH2+]CCOCC[NH3+] ZINC001255859308 970527126 /nfs/dbraw/zinc/52/71/26/970527126.db2.gz XHLMBFFNZCEAIZ-NSHDSACASA-N 2 0 240.322 1.322 20 0 BDADRP CC[C@@H]1C[C@H](NC(=[NH2+])SCC[NH3+])CCO1 ZINC001170169664 970542661 /nfs/dbraw/zinc/54/26/61/970542661.db2.gz OVXFHVOXHYMKHT-RKDXNWHRSA-N 2 0 231.365 1.160 20 0 BDADRP CC[NH+](CC)CC[C@H](C)n1nncc1C[NH3+] ZINC001255945573 970564740 /nfs/dbraw/zinc/56/47/40/970564740.db2.gz GRNZYUMOOPYSJP-JTQLQIEISA-N 2 0 225.340 1.030 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+][C@H](C)CO ZINC001255940714 970573743 /nfs/dbraw/zinc/57/37/43/970573743.db2.gz FRONEPMUOFOOBL-WDEREUQCSA-N 2 0 202.342 1.077 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]C1CC(CO)C1 ZINC001255942069 970578083 /nfs/dbraw/zinc/57/80/83/970578083.db2.gz BTZLDEIDDZQBCT-PNESKVBLSA-N 2 0 228.380 1.467 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H](C)CC(=O)OC ZINC001255953184 970588689 /nfs/dbraw/zinc/58/86/89/970588689.db2.gz YJZBZEHDIZJXLD-VXGBXAGGSA-N 2 0 244.379 1.648 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH+]1CCC(C)(O)CC1 ZINC001255956746 970596349 /nfs/dbraw/zinc/59/63/49/970596349.db2.gz MAOIOUHULJFGQW-ZDUSSCGKSA-N 2 0 242.407 1.954 20 0 BDADRP CCN([C@@H](C)CC[NH+](CC)CC)C1CN(C)C1 ZINC001255971753 970607931 /nfs/dbraw/zinc/60/79/31/970607931.db2.gz KPNQHWHDQOJIRJ-ZDUSSCGKSA-N 2 0 241.423 1.743 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)[C@H]1CCCOC1 ZINC000400809477 970633413 /nfs/dbraw/zinc/63/34/13/970633413.db2.gz XPMNYNWUORCFEC-SCRDCRAPSA-N 2 0 240.391 1.779 20 0 BDADRP c1cc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccn1 ZINC000400996899 970652872 /nfs/dbraw/zinc/65/28/72/970652872.db2.gz CGGMQNWRFPZPEE-SOUVJXGZSA-N 2 0 245.370 1.602 20 0 BDADRP COc1cccc(C[C@@H](C)N2CC[C@H]([NH3+])C2)c1 ZINC001256143917 970669570 /nfs/dbraw/zinc/66/95/70/970669570.db2.gz JMGGJFPXOZUXQY-YPMHNXCESA-N 2 0 234.343 1.659 20 0 BDADRP CC(C)[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001256211469 970719397 /nfs/dbraw/zinc/71/93/97/970719397.db2.gz XYVRIVVOGRJVMY-AWEZNQCLSA-N 2 0 239.407 1.495 20 0 BDADRP C[N@@H+]1CC[C@]2(CCN(C3CC[NH+](C)CC3)C2)C1 ZINC001256211388 970721824 /nfs/dbraw/zinc/72/18/24/970721824.db2.gz VULIADGHULVSQF-AWEZNQCLSA-N 2 0 237.391 1.108 20 0 BDADRP [NH3+]CC1(F)CC[NH+](CCC23CC([NH3+])(C2)C3)CC1 ZINC001222528311 972548558 /nfs/dbraw/zinc/54/85/58/972548558.db2.gz VNRICKUFLJRYLK-UHFFFAOYSA-N 3 0 241.354 1.021 20 0 BDADRP C[C@H]1C[C@@H]([N@@H+]2CCC[C@](F)(C[NH3+])CC2)CC[NH2+]1 ZINC001246545288 972629506 /nfs/dbraw/zinc/62/95/06/972629506.db2.gz ASNPHBOTKZCUNO-RWMBFGLXSA-N 3 0 243.370 1.280 20 0 BDADRP CC1(C)C[C@H]([N@@H+]2CCC[C@@H]([NH3+])CC2)CCO1 ZINC001246547445 972671261 /nfs/dbraw/zinc/67/12/61/972671261.db2.gz PQABBCIVICXZBW-VXGBXAGGSA-N 2 0 226.364 1.757 20 0 BDADRP COC(=O)CC[C@H](C)[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246548322 972680752 /nfs/dbraw/zinc/68/07/52/972680752.db2.gz FXUDATRRRYWLJT-AAEUAGOBSA-N 2 0 242.363 1.531 20 0 BDADRP [NH3+][C@@H]1CCCN(C2CC[NH+](C3CC3)CC2)CC1 ZINC001246550338 972699793 /nfs/dbraw/zinc/69/97/93/972699793.db2.gz XTHUZBBLVLTZOS-GFCCVEGCSA-N 2 0 237.391 1.426 20 0 BDADRP C[C@@H]1CCN([C@H]2CCCC[NH2+]C2)C[C@H]1C[NH3+] ZINC001246552881 972738940 /nfs/dbraw/zinc/73/89/40/972738940.db2.gz PRPPTWOCEMTGGR-UPJWGTAASA-N 2 0 225.380 1.045 20 0 BDADRP C[C@@]1([NH3+])CCC[N@@H+]([C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001246553900 972743100 /nfs/dbraw/zinc/74/31/00/972743100.db2.gz TVHNJENLXVBIGG-YVECIDJPSA-N 2 0 208.349 1.988 20 0 BDADRP CCCC1CCC([N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001246557217 972773270 /nfs/dbraw/zinc/77/32/70/972773270.db2.gz GMAGBYCCLNOJPG-NWINJMCUSA-N 2 0 240.391 1.739 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH3+])N([C@H]2CCCC[NH2+]C2)C1 ZINC001246557608 972775817 /nfs/dbraw/zinc/77/58/17/972775817.db2.gz MRHQIGADZYIBBE-AGIUHOORSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CC(C)(C)C1 ZINC001246558383 972779434 /nfs/dbraw/zinc/77/94/34/972779434.db2.gz LFDVAULTUBDDND-YVECIDJPSA-N 2 0 240.391 1.595 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](F)CC2)CC[NH2+]1 ZINC001246558758 972782627 /nfs/dbraw/zinc/78/26/27/972782627.db2.gz NOLDZASYWKXFNV-IJLUTSLNSA-N 2 0 214.328 1.951 20 0 BDADRP CC(C)CC[C@@H](C)[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246561609 972792637 /nfs/dbraw/zinc/79/26/37/972792637.db2.gz QZVIKTIPKWQYLF-ZIAGYGMSSA-N 2 0 242.407 1.987 20 0 BDADRP COC[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001246564128 972802759 /nfs/dbraw/zinc/80/27/59/972802759.db2.gz YWOJZCOCPKYQSS-WOPDTQHZSA-N 2 0 214.353 1.328 20 0 BDADRP CN1CC[C@H]([N@@H+]2CCC[C@](C)(C[NH3+])CC2)C1 ZINC001246571328 972850686 /nfs/dbraw/zinc/85/06/86/972850686.db2.gz BEZMXSIUPLVSPE-STQMWFEESA-N 2 0 225.380 1.141 20 0 BDADRP C[NH2+]CC[C@H](C)N1C[C@H](C)CC[C@H]1C[NH3+] ZINC001246572512 972857809 /nfs/dbraw/zinc/85/78/09/972857809.db2.gz YAHOAIWYKUJTJO-WOPDTQHZSA-N 2 0 213.369 1.044 20 0 BDADRP CCCC[C@H](CC(C)C)[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246587239 972980480 /nfs/dbraw/zinc/98/04/80/972980480.db2.gz WITBRLAOQYTDDT-MJBXVCDLSA-N 2 0 242.407 1.843 20 0 BDADRP C[N@@H+]1CCC[C@H](N2CC[C@@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001246588505 972989252 /nfs/dbraw/zinc/98/92/52/972989252.db2.gz QJLNWZGGLYYZQX-RWMBFGLXSA-N 2 0 243.370 1.232 20 0 BDADRP CC(C)=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246587559 972992207 /nfs/dbraw/zinc/99/22/07/972992207.db2.gz UUGQLNHHLVIMFV-RWMBFGLXSA-N 2 0 226.364 1.373 20 0 BDADRP CC[N@@H+]1CC[C@@H](N2CCC[C@@]23CCC[NH2+]C3)C1 ZINC001246610100 973032434 /nfs/dbraw/zinc/03/24/34/973032434.db2.gz ORDYNMDJIPYQKJ-ZIAGYGMSSA-N 2 0 237.391 1.299 20 0 BDADRP CCCC[C@H](C)[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246612691 973032614 /nfs/dbraw/zinc/03/26/14/973032614.db2.gz CJBJXEPSPAYEOV-IHRRRGAJSA-N 2 0 239.407 1.591 20 0 BDADRP C1C[C@]2(C[NH2+]1)CCCN([C@@H]1CCCC[NH2+]C1)C2 ZINC001246627331 973044741 /nfs/dbraw/zinc/04/47/41/973044741.db2.gz JEKBRUZFOJHOTK-KGLIPLIRSA-N 2 0 237.391 1.204 20 0 BDADRP C1C[C@@H]2[C@H](CC[N@@H+]2[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)[NH2+]1 ZINC001246627904 973045237 /nfs/dbraw/zinc/04/52/37/973045237.db2.gz AWRPRQATZMDUOJ-BYNSBNAKSA-N 2 0 249.402 1.345 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246652859 973069304 /nfs/dbraw/zinc/06/93/04/973069304.db2.gz HTKVWPBUZRNCOL-HZSPNIEDSA-N 2 0 239.407 1.530 20 0 BDADRP CC(C)(C)[C@H]1C[C@H](N2C[C@H]3C[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC001246676550 973082670 /nfs/dbraw/zinc/08/26/70/973082670.db2.gz JDDVDTKVLOTLAI-YVECIDJPSA-N 2 0 237.391 1.199 20 0 BDADRP C[C@H]1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)C[NH2+]1 ZINC001246769996 973091722 /nfs/dbraw/zinc/09/17/22/973091722.db2.gz MCQSAYOBCKQKOL-UHFZAUJKSA-N 2 0 212.312 1.559 20 0 BDADRP C[C@@H]1CCC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)[C@@H]1C ZINC001246792855 973092832 /nfs/dbraw/zinc/09/28/32/973092832.db2.gz YCNNJAIQJBYUOD-JHJVBQTASA-N 2 0 237.391 1.201 20 0 BDADRP C[N@H+](CC(C)(C)C)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246799843 973102659 /nfs/dbraw/zinc/10/26/59/973102659.db2.gz PBIXWDHQYFBUTH-LLVKDONJSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H]1CC[C@@H](N2CCC3(CCO3)CC2)C[NH2+]1 ZINC001246832862 973130020 /nfs/dbraw/zinc/13/00/20/973130020.db2.gz CKMDFUORHBSALQ-VXGBXAGGSA-N 2 0 224.348 1.382 20 0 BDADRP CC(C)C[C@H](C)C[C@@H](C)N(CC[NH3+])CC[NH3+] ZINC001246835179 973133248 /nfs/dbraw/zinc/13/32/48/973133248.db2.gz VUUCSQMYCHULQF-QWHCGFSZSA-N 2 0 229.412 1.667 20 0 BDADRP C[NH2+]Cc1c(C)nn([C@H]2CC[C@@H](C)[NH2+]C2)c1C ZINC001246845974 973150114 /nfs/dbraw/zinc/15/01/14/973150114.db2.gz MLIFOMGPKNIPPW-SKDRFNHKSA-N 2 0 236.363 1.532 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001246854633 973171861 /nfs/dbraw/zinc/17/18/61/973171861.db2.gz QMDLOAKGZKHEMV-GFJIZPEISA-N 3 0 237.391 1.282 20 0 BDADRP CC[C@H](C)C[NH2+]CCNC(=O)CC[N@H+](C)CC ZINC001146711422 973228571 /nfs/dbraw/zinc/22/85/71/973228571.db2.gz RSOKVGPVSWGMDF-LBPRGKRZSA-N 2 0 243.395 1.080 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+]Cc1c(C)nc2ccccn21 ZINC001328677490 973256953 /nfs/dbraw/zinc/25/69/53/973256953.db2.gz PWIJSNHZDOAMBG-LLVKDONJSA-N 2 0 246.358 1.730 20 0 BDADRP CCCC[C@@H]1C[C@H](N2C[C@@H](C)[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246883560 973329185 /nfs/dbraw/zinc/32/91/85/973329185.db2.gz WNRPMTJBVQIVCK-SYQHCUMBSA-N 2 0 239.407 1.576 20 0 BDADRP C[C@@H]1C[C@H](N(C)[C@@H]2CCCC[C@@H]2[NH3+])CC[NH2+]1 ZINC001246914627 973443911 /nfs/dbraw/zinc/44/39/11/973443911.db2.gz UFKHWFATUWQIEW-FVCCEPFGSA-N 2 0 225.380 1.329 20 0 BDADRP CCCC[C@@H]1C[C@H](N2C[C@@H]3C[NH2+]C[C@H]32)CC[NH2+]1 ZINC001246916483 973469215 /nfs/dbraw/zinc/46/92/15/973469215.db2.gz HUMIPWFNQHDXJU-REWJHTLYSA-N 2 0 237.391 1.201 20 0 BDADRP CC(C)(C)[C@@H]1C[C@H](N2C[C@@H]3[NH2+]C[C@H]3C2)CC[NH2+]1 ZINC001246916579 973469475 /nfs/dbraw/zinc/46/94/75/973469475.db2.gz IJJQUWNYESLKPC-RNJOBUHISA-N 2 0 237.391 1.057 20 0 BDADRP CC(C)(C)[C@@H]1C[C@@H](N2C[C@@H]3C[NH2+][C@@H]3C2)CC[NH2+]1 ZINC001246930184 973582702 /nfs/dbraw/zinc/58/27/02/973582702.db2.gz IJJQUWNYESLKPC-RVMXOQNASA-N 2 0 237.391 1.057 20 0 BDADRP C[C@@H]1C[C@@H](N2CCC[C@H]([NH3+])[C@@H]2C)C[C@H](C)[NH2+]1 ZINC001246937510 973634781 /nfs/dbraw/zinc/63/47/81/973634781.db2.gz IGVBREDMLXAXFM-PPCPHDFISA-N 2 0 225.380 1.327 20 0 BDADRP C[C@H]([NH3+])CN(C)C1CCN(c2cc[nH+]cc2)CC1 ZINC001246980431 973720569 /nfs/dbraw/zinc/72/05/69/973720569.db2.gz IMUMUCUYBPVDHC-LBPRGKRZSA-N 2 0 248.374 1.329 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1(C)C ZINC000234859850 973772270 /nfs/dbraw/zinc/77/22/70/973772270.db2.gz KXZGWWQGVJBKRS-WISYIIOYSA-N 2 0 226.364 1.517 20 0 BDADRP CO[C@@H]1CC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000234938302 973787515 /nfs/dbraw/zinc/78/75/15/973787515.db2.gz BNISHDPIAWRENN-CQSZACIVSA-N 2 0 246.354 1.553 20 0 BDADRP CC1(C)C[C@@H](N2CC[NH2+]C3=CCCC[C@@H]32)CC[NH2+]1 ZINC001246998474 973796113 /nfs/dbraw/zinc/79/61/13/973796113.db2.gz XHASJDNJJNKFDA-JSGCOSHPSA-N 2 0 249.402 1.859 20 0 BDADRP CCc1cc(Nc2nccnc2C[NH3+])cc[nH+]1 ZINC001171450342 974073909 /nfs/dbraw/zinc/07/39/09/974073909.db2.gz YPDJXZJLXGSECN-UHFFFAOYSA-N 2 0 229.287 1.058 20 0 BDADRP C[C@@H](CO)C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171620652 974113927 /nfs/dbraw/zinc/11/39/27/974113927.db2.gz BWLYDWVZALFNCV-LLVKDONJSA-N 2 0 242.407 1.856 20 0 BDADRP CC[C@@H](CO)[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171619232 974116396 /nfs/dbraw/zinc/11/63/96/974116396.db2.gz ZNICBWRBBYECJX-NSHDSACASA-N 2 0 242.407 1.998 20 0 BDADRP C[C@@H]1C[C@H](NC=[NH2+])C[N@@H+]1Cc1ccccc1 ZINC001171726004 974142281 /nfs/dbraw/zinc/14/22/81/974142281.db2.gz REHHBMWYLDEBIP-YPMHNXCESA-N 2 0 217.316 1.846 20 0 BDADRP CCC[N@H+](CCC[NH3+])[C@H]1CCN(CC)C(=O)C1 ZINC001172023692 974283069 /nfs/dbraw/zinc/28/30/69/974283069.db2.gz PSFZFQBTUBNPAB-LBPRGKRZSA-N 2 0 241.379 1.058 20 0 BDADRP Cn1cccc1CN1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206156897 974330127 /nfs/dbraw/zinc/33/01/27/974330127.db2.gz UBCRXLLWBYSJSK-NWDGAFQWSA-N 2 0 225.311 1.286 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC(C)(C)C[NH3+])C2 ZINC001172099383 974336082 /nfs/dbraw/zinc/33/60/82/974336082.db2.gz KCQRVJKBQRPBTM-ZSBIGDGJSA-N 2 0 225.380 1.329 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](n1cncc1CC[NH3+])C2 ZINC001172098160 974337830 /nfs/dbraw/zinc/33/78/30/974337830.db2.gz AVQKMRAUXBZYJT-DABQJJPHSA-N 2 0 248.374 1.572 20 0 BDADRP COC[C@H]1CC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172130081 974348595 /nfs/dbraw/zinc/34/85/95/974348595.db2.gz HAGCLHZMQYZXSS-XJFOESAGSA-N 2 0 238.375 1.722 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCCC[NH3+])C2 ZINC001172108217 974365861 /nfs/dbraw/zinc/36/58/61/974365861.db2.gz SGWAMEKZMRXKLF-CLLJXQQHSA-N 3 0 225.380 1.330 20 0 BDADRP COC1(C[NH2+]CC2(C)CC[NH+](C)CC2)CCC1 ZINC001330617989 974367302 /nfs/dbraw/zinc/36/73/02/974367302.db2.gz GNHVXXFRZBCRLU-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP CN([C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(C)(C)C[NH3+] ZINC001172107602 974367347 /nfs/dbraw/zinc/36/73/47/974367347.db2.gz FTJNVPDFWHUGOF-CLLJXQQHSA-N 2 0 239.407 1.671 20 0 BDADRP N[C@H]1CC[N@H+](CCC23CC([NH3+])(C2)C3)CC[C@H]1F ZINC001206157175 974377724 /nfs/dbraw/zinc/37/77/24/974377724.db2.gz XATFJFVOZTXADS-IALDZJHCSA-N 2 0 241.354 1.019 20 0 BDADRP CO[C@H]1CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172121414 974390799 /nfs/dbraw/zinc/39/07/99/974390799.db2.gz QBYHINBYAJUVRK-CRWXNKLISA-N 2 0 238.375 1.722 20 0 BDADRP [NH3+][C@H]1CC[N@H+](Cc2ncccc2O)CC[C@H]1F ZINC001206163491 974489285 /nfs/dbraw/zinc/48/92/85/974489285.db2.gz CNPPSPRFOBONTI-ZJUUUORDSA-N 2 0 239.294 1.048 20 0 BDADRP C[NH+](C)CCC[N@H+](C)C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172239618 974501055 /nfs/dbraw/zinc/50/10/55/974501055.db2.gz FNFJJKINRCKCDY-YHWZYXNKSA-N 2 0 224.348 1.356 20 0 BDADRP CC[C@H](C)OCC[C@H](C)[NH2+]C[C@@H](C)C[NH3+] ZINC001172327190 974539598 /nfs/dbraw/zinc/53/95/98/974539598.db2.gz DFUYXYNSQVSYRS-SRVKXCTJSA-N 2 0 216.369 1.765 20 0 BDADRP CC[C@H](C)OCC[C@@H](C)[NH2+]C1(C[NH3+])CC1 ZINC001172348588 974618558 /nfs/dbraw/zinc/61/85/58/974618558.db2.gz IUJQQFLZCOYJEM-MNOVXSKESA-N 2 0 214.353 1.661 20 0 BDADRP CCOCC[C@@H](C)[N@@H+]1CCn2c(cnc2C)C1 ZINC001172419882 974694615 /nfs/dbraw/zinc/69/46/15/974694615.db2.gz JWWHORRAFGLERN-LLVKDONJSA-N 2 0 237.347 1.822 20 0 BDADRP CC(C)([NH3+])CCNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC001331392942 974706700 /nfs/dbraw/zinc/70/67/00/974706700.db2.gz NHGWRGLGNGEGJL-GXFFZTMASA-N 2 0 241.379 1.138 20 0 BDADRP Cc1cc(C[NH2+]CCCC[NH3+])cnc1Cl ZINC001331420295 974713797 /nfs/dbraw/zinc/71/37/97/974713797.db2.gz VCVMJAXARFUSIM-UHFFFAOYSA-N 2 0 227.739 1.872 20 0 BDADRP CC(C)OCC[C@H](C)[N@H+](C)C[C@H](C)C[NH3+] ZINC001172442079 974801436 /nfs/dbraw/zinc/80/14/36/974801436.db2.gz RHIJNENBSCWHAU-NEPJUHHUSA-N 2 0 216.369 1.717 20 0 BDADRP CC(C)COCC[C@H](C)[NH2+]CCOCC[NH3+] ZINC001172458827 974824445 /nfs/dbraw/zinc/82/44/45/974824445.db2.gz BXRDBPYCWUFYMC-LBPRGKRZSA-N 2 0 232.368 1.003 20 0 BDADRP CC(C)COCC[C@@H](C)[NH2+]CCC[NH+](C)C ZINC001172462118 974825864 /nfs/dbraw/zinc/82/58/64/974825864.db2.gz ZGFGPKVQQFIKCM-CYBMUJFWSA-N 2 0 230.396 1.979 20 0 BDADRP CC1(C)CC([NH2+]C2CC([NH3+])C2)CC(C)(C)O1 ZINC001172651754 974896554 /nfs/dbraw/zinc/89/65/54/974896554.db2.gz GPAFAZXTGPESIP-UHFFFAOYSA-N 2 0 226.364 1.802 20 0 BDADRP COC(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)C[NH3+])CC1 ZINC001172802959 974955886 /nfs/dbraw/zinc/95/58/86/974955886.db2.gz ZHSSUKQEYQEBAF-QJPTWQEYSA-N 2 0 242.363 1.293 20 0 BDADRP Nc1cc(O[C@H]2C[NH+]3CCC2CC3)cc[nH+]1 ZINC001226655753 975003604 /nfs/dbraw/zinc/00/36/04/975003604.db2.gz HPCNJBLPXDFIIL-NSHDSACASA-N 2 0 219.288 1.137 20 0 BDADRP CC[NH+](CC)C1CCC(N2CCC(=O)C2)CC1 ZINC001173114443 975026808 /nfs/dbraw/zinc/02/68/08/975026808.db2.gz KJWVNAGGCWSDHZ-UHFFFAOYSA-N 2 0 238.375 1.914 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCc2ncsc2C1 ZINC001173128148 975038450 /nfs/dbraw/zinc/03/84/50/975038450.db2.gz HJZBFCFFMUKCQE-RKDXNWHRSA-N 2 0 225.361 1.185 20 0 BDADRP C[C@H]1C[C@@H]([N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)CCO1 ZINC001173174366 975053189 /nfs/dbraw/zinc/05/31/89/975053189.db2.gz SDWMYLZXZGZXJN-MELADBBJSA-N 2 0 238.375 1.582 20 0 BDADRP C[C@@H]1[C@H]2CC[N@@H+]1C[C@H]([NH2+][C@@H]1CCO[C@@H](C)C1)C2 ZINC001173170279 975063520 /nfs/dbraw/zinc/06/35/20/975063520.db2.gz XWEANBZEQXBKLS-MEBFFEOJSA-N 2 0 238.375 1.626 20 0 BDADRP C[NH+]1CCC(CC[NH2+][C@H]2CC[NH2+]C2(C)C)CC1 ZINC001332400050 975095888 /nfs/dbraw/zinc/09/58/88/975095888.db2.gz HKYZSUQESDVBJF-ZDUSSCGKSA-N 3 0 239.407 1.448 20 0 BDADRP CC[C@@H]1CC[C@H](NC(=[NH2+])SCC[NH3+])C1 ZINC001173267583 975133015 /nfs/dbraw/zinc/13/30/15/975133015.db2.gz SUKSOYWQWYVBJO-BDAKNGLRSA-N 2 0 215.366 1.781 20 0 BDADRP CCSC[C@@H](C)[NH2+]CCC[N@H+](C)CCO ZINC001173297105 975184725 /nfs/dbraw/zinc/18/47/25/975184725.db2.gz BXPSUYSYTZVNFZ-LLVKDONJSA-N 2 0 234.409 1.032 20 0 BDADRP CCCC[N@H+](C)CCCN[C@@H]1CC[NH+](CC)C1 ZINC001173350543 975294521 /nfs/dbraw/zinc/29/45/21/975294521.db2.gz PQNZZMDDIFTUPX-CQSZACIVSA-N 2 0 241.423 1.792 20 0 BDADRP CCCC[N@H+](C)CCN[C@H]1CC[NH+](CC)C1 ZINC001173350486 975295000 /nfs/dbraw/zinc/29/50/00/975295000.db2.gz PAXJXNFIMAIFKT-ZDUSSCGKSA-N 2 0 227.396 1.402 20 0 BDADRP CC[N@@H+]1CC[C@H](N2C[C@H](C[NH3+])c3ccccc32)C1 ZINC001173361316 975333575 /nfs/dbraw/zinc/33/35/75/975333575.db2.gz USDWEDBJOFDXKQ-STQMWFEESA-N 2 0 245.370 1.643 20 0 BDADRP CCN([C@H]1CC[N@H+](CC)C1)C1CC[NH+](C)CC1 ZINC001173363606 975337908 /nfs/dbraw/zinc/33/79/08/975337908.db2.gz PGRAIIYWVQZBHL-AWEZNQCLSA-N 2 0 239.407 1.497 20 0 BDADRP CC[N@@H+]1CC[C@@H](N2CC[C@@H]([NH+](C)C3CC3)C2)C1 ZINC001173366513 975340195 /nfs/dbraw/zinc/34/01/95/975340195.db2.gz ACFOSALAVRMZKB-ZIAGYGMSSA-N 2 0 237.391 1.249 20 0 BDADRP CC[N@@H+]1CC[C@H](N2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC001173370268 975358544 /nfs/dbraw/zinc/35/85/44/975358544.db2.gz GIJJTKQLFZRANN-UONOGXRCSA-N 2 0 237.391 1.108 20 0 BDADRP C1[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C12CCC2 ZINC000721224070 975362629 /nfs/dbraw/zinc/36/26/29/975362629.db2.gz LTVXEEAYXMQNCT-AYLPWXGPSA-N 2 0 206.333 1.802 20 0 BDADRP COC(=O)CCCC[C@H](C)[NH2+]C[C@@H](C)C[NH3+] ZINC001173446501 975391418 /nfs/dbraw/zinc/39/14/18/975391418.db2.gz WDIZMMFUBVTFDQ-QWRGUYRKSA-N 2 0 230.352 1.293 20 0 BDADRP CN(C)c1cc[nH+]cc1Nc1cc[nH+]cc1 ZINC001173882092 975935842 /nfs/dbraw/zinc/93/58/42/975935842.db2.gz QYWSPJFVQLHYRK-UHFFFAOYSA-N 2 0 214.272 1.708 20 0 BDADRP CC(C)([NH3+])CC[NH2+]Cc1cccc2c[nH]nc21 ZINC001334828456 976726922 /nfs/dbraw/zinc/72/69/22/976726922.db2.gz OWGLMBHMVYPXLJ-UHFFFAOYSA-N 2 0 232.331 1.780 20 0 BDADRP Cc1cc(Nc2cc[nH+]c(CO)c2)cc[nH+]1 ZINC001174653129 976939736 /nfs/dbraw/zinc/93/97/36/976939736.db2.gz MFUSUEHILDAIIL-UHFFFAOYSA-N 2 0 215.256 1.443 20 0 BDADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)[C@H](C)O ZINC001335413265 977040946 /nfs/dbraw/zinc/04/09/46/977040946.db2.gz OISYTGSSHKVNFM-RYUDHWBXSA-N 2 0 216.369 1.323 20 0 BDADRP CCSCC[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001175203427 977309376 /nfs/dbraw/zinc/30/93/76/977309376.db2.gz NLBAYLQYJFZGPD-NEPJUHHUSA-N 2 0 228.405 1.623 20 0 BDADRP Cc1[nH+]cn(C)c1NC1=CCC[N@H+](C)C1 ZINC001175577421 977589813 /nfs/dbraw/zinc/58/98/13/977589813.db2.gz TVGWKBGABAXMCS-UHFFFAOYSA-N 2 0 206.293 1.360 20 0 BDADRP C[NH2+][C@H](C)CCN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC001336264031 977607341 /nfs/dbraw/zinc/60/73/41/977607341.db2.gz XHVDUYAWKYOXSK-NEPJUHHUSA-N 2 0 227.396 1.352 20 0 BDADRP CO[C@@H]1CC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232011768 977837473 /nfs/dbraw/zinc/83/74/73/977837473.db2.gz OYNGTYHIKURUCF-GFCCVEGCSA-N 2 0 231.299 1.784 20 0 BDADRP OC[C@H]1CC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232013993 977838981 /nfs/dbraw/zinc/83/89/81/977838981.db2.gz FMKSXRXHHGQLQJ-JTQLQIEISA-N 2 0 231.299 1.377 20 0 BDADRP CN(C)c1cc(Nc2[nH]cc[nH+]2)cc[nH+]1 ZINC001176081882 977875584 /nfs/dbraw/zinc/87/55/84/977875584.db2.gz IJSACDHQTQDVGL-UHFFFAOYSA-N 2 0 203.249 1.614 20 0 BDADRP CC[C@H](CNc1cc[nH+]cc1CO)[NH+]1CCCC1 ZINC001336970577 978092100 /nfs/dbraw/zinc/09/21/00/978092100.db2.gz RAUUEUNBOXPPDS-CYBMUJFWSA-N 2 0 249.358 1.282 20 0 BDADRP C[NH+](C)CCCOC1C[NH+](C(C)(C)C)C1 ZINC001206285615 978218947 /nfs/dbraw/zinc/21/89/47/978218947.db2.gz FNJDUHZEOCTZHN-UHFFFAOYSA-N 2 0 214.353 1.437 20 0 BDADRP C[NH+](C)CCO[C@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001206288125 978256656 /nfs/dbraw/zinc/25/66/56/978256656.db2.gz VWZNDFQGXIAXCV-ITGUQSILSA-N 2 0 226.364 1.295 20 0 BDADRP CC[N@@H+]1CC[C@@H](NCC(C)(C)C[NH+](C)C)C1 ZINC000328315356 978270099 /nfs/dbraw/zinc/27/00/99/978270099.db2.gz CKKCOTJLQFWWLQ-GFCCVEGCSA-N 2 0 227.396 1.258 20 0 BDADRP CS[C@@H]1CN(c2cc[nH+]cc2)C[C@@H]1[NH+](C)C ZINC001337710351 978470448 /nfs/dbraw/zinc/47/04/48/978470448.db2.gz WYRHURLAWYSPJA-NWDGAFQWSA-N 2 0 237.372 1.563 20 0 BDADRP CS[C@H]1CN(c2cc[nH+]cc2)C[C@H]1[NH+](C)C ZINC001337710350 978471806 /nfs/dbraw/zinc/47/18/06/978471806.db2.gz WYRHURLAWYSPJA-NEPJUHHUSA-N 2 0 237.372 1.563 20 0 BDADRP Cn1c[nH+]cc1N1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001277765246 978472971 /nfs/dbraw/zinc/47/29/71/978472971.db2.gz DCKMPHASCXMHFI-AWEZNQCLSA-N 2 0 248.374 1.732 20 0 BDADRP C[NH+]1CCC(CCNc2nccnc2C[NH3+])CC1 ZINC001337756993 978484265 /nfs/dbraw/zinc/48/42/65/978484265.db2.gz MZFBVDJULBQRSP-UHFFFAOYSA-N 2 0 249.362 1.079 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2c[nH]ccc2=O)CC1 ZINC001206325716 978541336 /nfs/dbraw/zinc/54/13/36/978541336.db2.gz HWWRWGWTDKCVLO-AWEZNQCLSA-N 2 0 249.358 1.326 20 0 BDADRP Cc1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)nn1 ZINC001178916955 978641827 /nfs/dbraw/zinc/64/18/27/978641827.db2.gz RXKUKXCQFYEIBA-ZDUSSCGKSA-N 2 0 248.374 1.607 20 0 BDADRP CC[C@H](C)[N@@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001277806783 978682762 /nfs/dbraw/zinc/68/27/62/978682762.db2.gz ICDAZSWURHBDRS-IHRRRGAJSA-N 2 0 239.407 1.495 20 0 BDADRP CC(C)CC[C@@H](O)C[NH2+]C[C@H](C)C[NH+](C)C ZINC001338476052 978689488 /nfs/dbraw/zinc/68/94/88/978689488.db2.gz VFGNTQUNFNOQBF-QWHCGFSZSA-N 2 0 230.396 1.571 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@@H](NCc3cnsc3)[C@@H]2C1 ZINC001179814915 978759080 /nfs/dbraw/zinc/75/90/80/978759080.db2.gz BRJOJEDZOOBIHZ-QJPTWQEYSA-N 2 0 237.372 1.573 20 0 BDADRP Cc1nc(C)c(C[NH+]2CCC3(C[NH+](C)C3)CC2)[nH]1 ZINC001234645592 978884266 /nfs/dbraw/zinc/88/42/66/978884266.db2.gz RSQAOWCKPOVREZ-UHFFFAOYSA-N 2 0 248.374 1.554 20 0 BDADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001339716134 978899284 /nfs/dbraw/zinc/89/92/84/978899284.db2.gz SMAVNHPFVVPCMI-RYUDHWBXSA-N 2 0 243.395 1.062 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H](Nc3ccccn3)[C@H]2C1 ZINC001339999999 978954625 /nfs/dbraw/zinc/95/46/25/978954625.db2.gz QZQDOGVFCHIOST-SRVKXCTJSA-N 2 0 217.316 1.834 20 0 BDADRP [NH3+]Cc1cccc(CN2CC[C@@H]3[NH2+]CC[C@H]32)c1 ZINC001235048934 978963257 /nfs/dbraw/zinc/96/32/57/978963257.db2.gz MYRPFJUBXCIZNR-UONOGXRCSA-N 2 0 231.343 1.082 20 0 BDADRP OCCCC[N@@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235151639 978982279 /nfs/dbraw/zinc/98/22/79/978982279.db2.gz IRULNPOCHSCDCR-CQSZACIVSA-N 2 0 240.391 1.613 20 0 BDADRP C([C@H]1CCC[NH2+]C1)N1CCCC[C@]12CC[NH2+]C2 ZINC001235127505 978982475 /nfs/dbraw/zinc/98/24/75/978982475.db2.gz YZGVOTBVPYXCKY-UONOGXRCSA-N 2 0 237.391 1.204 20 0 BDADRP c1cc(CN2C[C@@H]3CC[NH2+][C@@H]3C2)cc2c1C[NH2+]C2 ZINC001235186431 978993354 /nfs/dbraw/zinc/99/33/54/978993354.db2.gz HLQNFVHFDIUONI-DZGCQCFKSA-N 2 0 243.354 1.084 20 0 BDADRP CC[C@H]([NH3+])CN1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235234498 979003338 /nfs/dbraw/zinc/00/33/38/979003338.db2.gz YWTZWPAPNPPJLH-KBPBESRZSA-N 2 0 239.407 1.578 20 0 BDADRP OCC[N@@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235378389 979032822 /nfs/dbraw/zinc/03/28/22/979032822.db2.gz HJHPJOSIOWOBJC-CABCVRRESA-N 2 0 246.354 1.058 20 0 BDADRP [NH3+]C1([C@@H]2C[N@H+](CCCCCO)C[C@@H]2CF)CC1 ZINC001235398393 979036391 /nfs/dbraw/zinc/03/63/91/979036391.db2.gz VIISTFYDAOVAGE-NWDGAFQWSA-N 2 0 244.354 1.158 20 0 BDADRP CC[C@H](N)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235429460 979045049 /nfs/dbraw/zinc/04/50/49/979045049.db2.gz YDSUAHLXRSAQJW-IHRRRGAJSA-N 2 0 239.407 1.435 20 0 BDADRP CC(C)[C@@H]1C[NH2+]CCN1Cc1ccc(C[NH3+])cc1 ZINC001235456017 979050384 /nfs/dbraw/zinc/05/03/84/979050384.db2.gz IGBIHIYTRZWMBS-HNNXBMFYSA-N 2 0 247.386 1.575 20 0 BDADRP CCCOC1CC[NH+](CCCC[NH3+])CC1 ZINC001235695644 979124331 /nfs/dbraw/zinc/12/43/31/979124331.db2.gz XXCVMHXPAMIINW-UHFFFAOYSA-N 2 0 214.353 1.616 20 0 BDADRP C(C[N@@H+]1CCCC2(C[NH2+]C2)C1)[C@@H]1CCC[NH2+]C1 ZINC001235711139 979128551 /nfs/dbraw/zinc/12/85/51/979128551.db2.gz KJLAGXANXSNUNM-ZDUSSCGKSA-N 3 0 237.391 1.062 20 0 BDADRP [NH3+]C[C@@H]1CCN(CCC[NH2+]C2CCCCC2)C1 ZINC001235750272 979139531 /nfs/dbraw/zinc/13/95/31/979139531.db2.gz OBWIGFHJXWOCQR-ZDUSSCGKSA-N 2 0 239.407 1.579 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCC[C@H]1c1cnccn1 ZINC001235760031 979144168 /nfs/dbraw/zinc/14/41/68/979144168.db2.gz LSXKGZYMZUMERU-LBPRGKRZSA-N 2 0 220.320 1.352 20 0 BDADRP CC[C@H]1C[NH2+]CCN1Cc1cccc(C[NH3+])c1 ZINC001235776048 979147566 /nfs/dbraw/zinc/14/75/66/979147566.db2.gz YSOQMXZQRQFVEA-AWEZNQCLSA-N 2 0 233.359 1.329 20 0 BDADRP CC1(C)C[NH2+]CCN1C[C@H]([NH3+])Cc1ccccc1 ZINC001235823068 979156528 /nfs/dbraw/zinc/15/65/28/979156528.db2.gz VKLKWSOYTWOWIK-CQSZACIVSA-N 2 0 247.386 1.240 20 0 BDADRP CC1(C[N@@H+]2CCNCC2(C)C)CC[NH2+]CC1 ZINC001235823073 979160552 /nfs/dbraw/zinc/16/05/52/979160552.db2.gz VZCNDTQMLWGVBU-UHFFFAOYSA-N 2 0 225.380 1.060 20 0 BDADRP CCOC(=O)C1(C)CC[NH+](CCCC[NH3+])CC1 ZINC001235825060 979163753 /nfs/dbraw/zinc/16/37/53/979163753.db2.gz IENCTYAHZWXKAB-UHFFFAOYSA-N 2 0 242.363 1.391 20 0 BDADRP [NH3+]CCCCC[N@@H+]1CCN[C@H](c2ccccc2)C1 ZINC001235858869 979174010 /nfs/dbraw/zinc/17/40/10/979174010.db2.gz JQRSOSVCRBYGLG-HNNXBMFYSA-N 2 0 247.386 1.762 20 0 BDADRP CCCc1ccc(CN(CC[NH3+])CC[NH3+])cc1 ZINC001235876761 979178183 /nfs/dbraw/zinc/17/81/83/979178183.db2.gz BUWRJWRFCWQJPZ-UHFFFAOYSA-N 2 0 235.375 1.359 20 0 BDADRP CC(=O)[C@H]1CCCN(C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001235950076 979220853 /nfs/dbraw/zinc/22/08/53/979220853.db2.gz NORIFHWVAFXAMA-RYUDHWBXSA-N 2 0 240.347 1.012 20 0 BDADRP CCOC(C)(C)C[N@@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235976979 979237953 /nfs/dbraw/zinc/23/79/53/979237953.db2.gz DRDNKYHLRAQCBC-JQWIXIFHSA-N 2 0 212.337 1.225 20 0 BDADRP [NH3+][C@]12CC[C@@H]1C[N@H+](CCC1CCOCC1)C2 ZINC001235978173 979250059 /nfs/dbraw/zinc/25/00/59/979250059.db2.gz JAUWTTRUQSGYHU-OLZOCXBDSA-N 2 0 224.348 1.226 20 0 BDADRP [NH3+][C@@]12CC[C@@H]1C[N@H+](CC1CCCCC1)C2 ZINC001235981821 979261016 /nfs/dbraw/zinc/26/10/16/979261016.db2.gz XSJIHKYGKLXMJI-CHWSQXEVSA-N 2 0 208.349 1.990 20 0 BDADRP CCN(CC[C@@H]1CCCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC001236004602 979266745 /nfs/dbraw/zinc/26/67/45/979266745.db2.gz GJMVKLJXUHFIBQ-UONOGXRCSA-N 2 0 239.407 1.593 20 0 BDADRP CCN(CC[C@H]1CCCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC001236004603 979268319 /nfs/dbraw/zinc/26/83/19/979268319.db2.gz GJMVKLJXUHFIBQ-ZIAGYGMSSA-N 2 0 239.407 1.593 20 0 BDADRP CCN(CC1(F)CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC001236006434 979297616 /nfs/dbraw/zinc/29/76/16/979297616.db2.gz SMBFISANLVRHSI-GFCCVEGCSA-N 2 0 243.370 1.152 20 0 BDADRP C[NH+](C)CC1(CN2C[C@@H]3C[C@]3([NH3+])C2)CCCC1 ZINC001236014340 979301506 /nfs/dbraw/zinc/30/15/06/979301506.db2.gz HNFGFEOUIFWWNG-JSGCOSHPSA-N 2 0 237.391 1.141 20 0 BDADRP C[C@H]1C[C@H]([NH3+])CN(C[C@@H]([NH3+])c2ccccc2)C1 ZINC001236044496 979337555 /nfs/dbraw/zinc/33/75/55/979337555.db2.gz MVFMGHQQWBNBMN-FPMFFAJLSA-N 2 0 233.359 1.356 20 0 BDADRP C[C@H]1C[C@H]([NH3+])CN(CC2(C)CC[NH2+]CC2)C1 ZINC001236046006 979341900 /nfs/dbraw/zinc/34/19/00/979341900.db2.gz ZSDFVDDDKPSUKJ-RYUDHWBXSA-N 2 0 225.380 1.045 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+](CCCCCO)CC2 ZINC001236089873 979380673 /nfs/dbraw/zinc/38/06/73/979380673.db2.gz YSRBOUHSURFWHU-UHFFFAOYSA-N 2 0 226.364 1.177 20 0 BDADRP C[C@@H]([NH3+])CN1CCC[C@@H]1CC(=O)OC(C)(C)C ZINC001236093402 979383082 /nfs/dbraw/zinc/38/30/82/979383082.db2.gz GVOVGHNLYNQIDB-GHMZBOCLSA-N 2 0 242.363 1.530 20 0 BDADRP C[C@H]([NH3+])CN1CCC[C@H]1CC(=O)OC(C)(C)C ZINC001236093404 979385181 /nfs/dbraw/zinc/38/51/81/979385181.db2.gz GVOVGHNLYNQIDB-QWRGUYRKSA-N 2 0 242.363 1.530 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](C)N1Cc1ccc(C[NH3+])cc1 ZINC001236103768 979388516 /nfs/dbraw/zinc/38/85/16/979388516.db2.gz YGRQXEWMJMMCDR-VXGBXAGGSA-N 2 0 233.359 1.328 20 0 BDADRP C[C@@H]1CNC[C@@H](C)[NH+]1CC[C@@H]1CCC[NH2+]C1 ZINC001236103679 979393994 /nfs/dbraw/zinc/39/39/94/979393994.db2.gz BZKXBRYBSJHIQN-UPJWGTAASA-N 2 0 225.380 1.058 20 0 BDADRP CCCC[C@H]1CN(CCC2C[NH2+]C2)CC[NH2+]1 ZINC001236134853 979404756 /nfs/dbraw/zinc/40/47/56/979404756.db2.gz IAOKFIHUTZJPMD-ZDUSSCGKSA-N 2 0 225.380 1.060 20 0 BDADRP C[N@H+](CCCC[NH3+])Cc1ccc2c(c1)C[NH2+]CC2 ZINC001236141072 979408859 /nfs/dbraw/zinc/40/88/59/979408859.db2.gz FVIVKWPJURNDEO-UHFFFAOYSA-N 3 0 247.386 1.503 20 0 BDADRP C[N@H+](CCCC[NH3+])Cc1ccc2c(c1)CC[NH2+]C2 ZINC001236142371 979409733 /nfs/dbraw/zinc/40/97/33/979409733.db2.gz WQVZNCUVDBFCOM-UHFFFAOYSA-N 3 0 247.386 1.503 20 0 BDADRP CCC[N@H+](CCCC[NH3+])C1CC[NH2+]CC1 ZINC001236180572 979439159 /nfs/dbraw/zinc/43/91/59/979439159.db2.gz MFFQZRDFCJVWRS-UHFFFAOYSA-N 3 0 213.369 1.189 20 0 BDADRP CN(C[C@@H]([NH3+])c1ccccc1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236210304 979448971 /nfs/dbraw/zinc/44/89/71/979448971.db2.gz ASYXLISOAUFBBV-ZNMIVQPWSA-N 2 0 247.386 1.888 20 0 BDADRP C[N@H+](CCCCCC[NH3+])[C@H]1CCCC[C@H]1N ZINC001236211428 979450386 /nfs/dbraw/zinc/45/03/86/979450386.db2.gz HZGDQGGDRATNHY-OLZOCXBDSA-N 2 0 227.396 1.707 20 0 BDADRP CN(CC[C@@H]1CCCC[NH2+]1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236210329 979450606 /nfs/dbraw/zinc/45/06/06/979450606.db2.gz BJORBPSOAGHCBS-MJBXVCDLSA-N 2 0 239.407 1.720 20 0 BDADRP C(C1CC[NH2+]CC1)N1CCC[C@H]([NH2+]C2CC2)C1 ZINC001236216151 979452857 /nfs/dbraw/zinc/45/28/57/979452857.db2.gz KRXXZTZROTZJRD-AWEZNQCLSA-N 2 0 237.391 1.202 20 0 BDADRP C[NH2+]C1CCC([N@H+](C)CCCC[NH3+])CC1 ZINC001236212677 979454637 /nfs/dbraw/zinc/45/46/37/979454637.db2.gz LQRLQDQFSPLLGE-UHFFFAOYSA-N 3 0 213.369 1.188 20 0 BDADRP CN(Cc1cccc(C[NH3+])c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236213683 979455474 /nfs/dbraw/zinc/45/54/74/979455474.db2.gz CYKDTPFHEGWXQO-GJZGRUSLSA-N 2 0 247.386 1.847 20 0 BDADRP C[N@H+](CC1(C)CC[NH2+]CC1)[C@@H]1CCCC[C@H]1N ZINC001236214680 979455704 /nfs/dbraw/zinc/45/57/04/979455704.db2.gz UQPVNCUAYMZOJU-CHWSQXEVSA-N 2 0 239.407 1.578 20 0 BDADRP [NH3+]C[C@H]1CCCN1Cc1cc2c[nH+]ccc2[nH]1 ZINC001236247760 979467581 /nfs/dbraw/zinc/46/75/81/979467581.db2.gz YOLZANKCMYOAQB-GFCCVEGCSA-N 2 0 230.315 1.486 20 0 BDADRP CC(C)(C)[C@@H]([NH3+])CC(=O)Nc1ccccc1C[NH3+] ZINC001341570793 979473323 /nfs/dbraw/zinc/47/33/23/979473323.db2.gz ICKNZRYYJJVYGN-LBPRGKRZSA-N 2 0 249.358 1.847 20 0 BDADRP [NH3+]Cc1ccccc1NC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001341572051 979474095 /nfs/dbraw/zinc/47/40/95/979474095.db2.gz ZTSAFMTXDQRRLG-DMDPSCGWSA-N 2 0 245.326 1.224 20 0 BDADRP OCCCN(Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001236268854 979481638 /nfs/dbraw/zinc/48/16/38/979481638.db2.gz IMXMIOVXAVHFGN-OAHLLOKOSA-N 2 0 248.370 1.623 20 0 BDADRP O=c1cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc[nH]1 ZINC001236315627 979528908 /nfs/dbraw/zinc/52/89/08/979528908.db2.gz LSVOHCCIHOLMFY-BETUJISGSA-N 2 0 247.342 1.219 20 0 BDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCC[NH3+] ZINC001341778459 979555429 /nfs/dbraw/zinc/55/54/29/979555429.db2.gz SFBFHGONHJHGKB-NWDGAFQWSA-N 2 0 241.379 1.103 20 0 BDADRP OCCCN(Cc1ccccn1)C1CC[NH2+]CC1 ZINC001236448730 979600226 /nfs/dbraw/zinc/60/02/26/979600226.db2.gz XPRIKXIMFOGBRP-UHFFFAOYSA-N 2 0 249.358 1.018 20 0 BDADRP CC(C)N(CC[C@H]1CCCC[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC001236529004 979620453 /nfs/dbraw/zinc/62/04/53/979620453.db2.gz UYSKGBMPWUNUEW-ZIAGYGMSSA-N 2 0 239.407 1.591 20 0 BDADRP C[NH2+][C@@H](CC(C)C)C(=O)N(C)CCC[NH+](C)C ZINC001342122083 979668799 /nfs/dbraw/zinc/66/87/99/979668799.db2.gz COJLWALAMNMCQZ-LBPRGKRZSA-N 2 0 243.395 1.031 20 0 BDADRP CC(C)(C[NH3+])CC(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001342214551 979713642 /nfs/dbraw/zinc/71/36/42/979713642.db2.gz ZAAYVMPSYPFGNV-NSHDSACASA-N 2 0 241.379 1.010 20 0 BDADRP C[C@]1([NH3+])CCC[N@H+](CCCCCC[NH3+])CC1 ZINC001205255090 979731883 /nfs/dbraw/zinc/73/18/83/979731883.db2.gz GLONLSSBQJUPBW-ZDUSSCGKSA-N 3 0 227.396 1.709 20 0 BDADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC001342276395 979749182 /nfs/dbraw/zinc/74/91/82/979749182.db2.gz UTQOHNPXYANOAA-GHMZBOCLSA-N 2 0 243.395 1.016 20 0 BDADRP C[C@@]1([NH3+])CCC[N@H+](CCCCC[NH3+])CC1 ZINC001205257424 979759925 /nfs/dbraw/zinc/75/99/25/979759925.db2.gz VLGMIMJXEJZXAT-GFCCVEGCSA-N 3 0 213.369 1.319 20 0 BDADRP CC[C@H]([NH3+])C(=O)N1C[C@H](CC[NH3+])c2ccccc21 ZINC001342299841 979763431 /nfs/dbraw/zinc/76/34/31/979763431.db2.gz IWRRQTPOJBJRPF-JQWIXIFHSA-N 2 0 247.342 1.203 20 0 BDADRP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(=O)[nH]c2)CC1 ZINC001205263789 979813401 /nfs/dbraw/zinc/81/34/01/979813401.db2.gz CBNFXSHLRPHGML-CYBMUJFWSA-N 2 0 235.331 1.491 20 0 BDADRP CCC1(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)COC1 ZINC001237376073 979876652 /nfs/dbraw/zinc/87/66/52/979876652.db2.gz OPGQHGWMTMTZAU-OLZOCXBDSA-N 2 0 238.375 1.487 20 0 BDADRP CC[N@@H+]1CCC[C@H](CNc2nc(N)cc(C)[nH+]2)C1 ZINC001342862529 979918697 /nfs/dbraw/zinc/91/86/97/979918697.db2.gz DHXVDZVKGSYDGS-LLVKDONJSA-N 2 0 249.362 1.511 20 0 BDADRP CCN(C(=O)CCCCC[NH3+])[C@@H]1CCC[NH2+]C1 ZINC001342932282 979947299 /nfs/dbraw/zinc/94/72/99/979947299.db2.gz AMIJNXULBMOCLR-GFCCVEGCSA-N 2 0 241.379 1.106 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]C3CC(C(F)F)C3)[C@H]2C1 ZINC001184389160 980062804 /nfs/dbraw/zinc/06/28/04/980062804.db2.gz VIHOCNCPJBEKFK-PFEFSLHISA-N 2 0 244.329 1.960 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]C[C@H](C)OC ZINC001184417313 980083059 /nfs/dbraw/zinc/08/30/59/980083059.db2.gz AKKFSYPURKOMFG-NEPJUHHUSA-N 2 0 216.369 1.731 20 0 BDADRP CC[C@@H](C)C[C@H]([NH3+])C(=O)N(C)C1(C[NH3+])CCC1 ZINC001343503984 980126194 /nfs/dbraw/zinc/12/61/94/980126194.db2.gz CZRLHFGNYIKQKD-MNOVXSKESA-N 2 0 241.379 1.090 20 0 BDADRP CC[NH+]1CCN(Cc2cccc3c[nH+]cn32)CC1 ZINC001238103967 980149696 /nfs/dbraw/zinc/14/96/96/980149696.db2.gz PGICJUUMDLIKHD-UHFFFAOYSA-N 2 0 244.342 1.472 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001345096954 980547728 /nfs/dbraw/zinc/54/77/28/980547728.db2.gz HKLZSLYZCLBOBL-NWDGAFQWSA-N 2 0 226.364 1.391 20 0 BDADRP C[NH2+][C@@H](C)CC[NH2+][C@@H](COC)C1CCCC1 ZINC001345482160 980617963 /nfs/dbraw/zinc/61/79/63/980617963.db2.gz KSPPGHHKVNMBKQ-AAEUAGOBSA-N 2 0 228.380 1.779 20 0 BDADRP C[NH2+][C@@H](C)CCNC(=O)[C@@H]([NH3+])c1ccc(C)cc1 ZINC001345994557 980723793 /nfs/dbraw/zinc/72/37/93/980723793.db2.gz ZDRKYYCGLPHCHO-AAEUAGOBSA-N 2 0 249.358 1.109 20 0 BDADRP C[NH+](C)Cc1ccccc1C[NH2+]C[C@H](O)C1CC1 ZINC001346123693 980759371 /nfs/dbraw/zinc/75/93/71/980759371.db2.gz VHFRSJKDUNQKHT-HNNXBMFYSA-N 2 0 248.370 1.609 20 0 BDADRP C[C@@H]1C[C@H]1C[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC000722684739 980879962 /nfs/dbraw/zinc/87/99/62/980879962.db2.gz WRYUSFHRCAEFFE-KXUCPTDWSA-N 2 0 218.291 1.558 20 0 BDADRP Cc1c(N)cc[nH+]c1-c1cncc(C[NH3+])c1 ZINC001239787195 980919267 /nfs/dbraw/zinc/91/92/67/980919267.db2.gz VJFFAWRMKXDPPC-UHFFFAOYSA-N 2 0 214.272 1.493 20 0 BDADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2cncs2)CC1 ZINC001205546000 980943773 /nfs/dbraw/zinc/94/37/73/980943773.db2.gz OGVCXOPBORPQQB-NSHDSACASA-N 2 0 243.351 1.796 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2nccn2C)CC[C@H]1C[NH3+] ZINC001205600437 981154521 /nfs/dbraw/zinc/15/45/21/981154521.db2.gz BSOWVDRUGCBFMA-NEPJUHHUSA-N 2 0 236.363 1.227 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@H]2CCOC2)CC[C@@H]1C[NH3+] ZINC001205600405 981154640 /nfs/dbraw/zinc/15/46/40/981154640.db2.gz BGARMFSBVMPVIJ-JHJVBQTASA-N 2 0 226.364 1.330 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2nccn2C)CC[C@@H]1C[NH3+] ZINC001205600442 981155896 /nfs/dbraw/zinc/15/58/96/981155896.db2.gz BSOWVDRUGCBFMA-VXGBXAGGSA-N 2 0 236.363 1.227 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2cccn2C)CC[C@@H]1C[NH3+] ZINC001205602768 981170789 /nfs/dbraw/zinc/17/07/89/981170789.db2.gz MGDFALCOMFPJEW-CHWSQXEVSA-N 2 0 235.375 1.832 20 0 BDADRP c1cc(C2=CC[NH2+]CC2)ncc1[C@H]1CCC[NH2+]1 ZINC001240465185 981393896 /nfs/dbraw/zinc/39/38/96/981393896.db2.gz BBFOYGKVXOIBAU-CYBMUJFWSA-N 2 0 229.327 1.883 20 0 BDADRP [NH3+]CCc1ccccc1C1=CC[NH2+]CC1 ZINC001240469339 981405794 /nfs/dbraw/zinc/40/57/94/981405794.db2.gz VRZCEFTXLBLPCZ-UHFFFAOYSA-N 2 0 202.301 1.565 20 0 BDADRP CC[N@@H+]1CCC[C@H](CN[C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC001348840493 981454653 /nfs/dbraw/zinc/45/46/53/981454653.db2.gz MJNOLYYOUXIHJZ-BFHYXJOUSA-N 2 0 239.407 1.306 20 0 BDADRP CC(C)[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)C(C)(C)O ZINC001194176799 981589285 /nfs/dbraw/zinc/58/92/85/981589285.db2.gz QIZCGEMVWDTRDP-OLZOCXBDSA-N 2 0 242.407 1.856 20 0 BDADRP O[C@@H]1CCCC[C@H]1C[NH+]1CCC2(C[NH2+]C2)CC1 ZINC001580879721 981667769 /nfs/dbraw/zinc/66/77/69/981667769.db2.gz DFWVAEBLDOIJQU-QWHCGFSZSA-N 2 0 238.375 1.223 20 0 BDADRP O[C@@H]1C[NH2+]CC[C@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC001580879764 981668106 /nfs/dbraw/zinc/66/81/06/981668106.db2.gz FBHHYIIDJCXKFL-BYNSBNAKSA-N 2 0 246.354 1.103 20 0 BDADRP OC1(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CCC1 ZINC001580880497 981673716 /nfs/dbraw/zinc/67/37/16/981673716.db2.gz QGVXDOQEIGYUOQ-QWHCGFSZSA-N 2 0 238.375 1.223 20 0 BDADRP O[C@H]1C[C@@H]([NH2+]CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001580885805 981705909 /nfs/dbraw/zinc/70/59/09/981705909.db2.gz NMIPTHVKPXRGOS-LZJXMMRTSA-N 2 0 224.348 1.020 20 0 BDADRP CCCCCC[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205662943 981765671 /nfs/dbraw/zinc/76/56/71/981765671.db2.gz GBJWDAIPWIJSKP-ZDUSSCGKSA-N 2 0 228.380 1.742 20 0 BDADRP CCC(CC)C[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205664110 981808622 /nfs/dbraw/zinc/80/86/22/981808622.db2.gz LTJGNSVUNLSBGY-ZDUSSCGKSA-N 2 0 228.380 1.598 20 0 BDADRP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2cccs2)C1 ZINC001205664156 981816361 /nfs/dbraw/zinc/81/63/61/981816361.db2.gz MQSFFSITDKGVKK-LBPRGKRZSA-N 2 0 240.372 1.424 20 0 BDADRP Cc1c(N)cc[nH+]c1C=C1CC[NH2+]CC1 ZINC001240874441 981919859 /nfs/dbraw/zinc/91/98/59/981919859.db2.gz RYJUVCBSBIJEFB-UHFFFAOYSA-N 2 0 203.289 1.739 20 0 BDADRP C[N@H+]1CC=C(c2[nH+]ccc3c2CCN3)CC1 ZINC001241309450 982452863 /nfs/dbraw/zinc/45/28/63/982452863.db2.gz SKIUBWZIHKOJOE-UHFFFAOYSA-N 2 0 215.300 1.769 20 0 BDADRP C[NH+]1CCc2ncnc(C3=CC[N@H+](C)CC3)c2C1 ZINC001241318132 982476316 /nfs/dbraw/zinc/47/63/16/982476316.db2.gz YXADNNAZNFXBHM-UHFFFAOYSA-N 2 0 244.342 1.183 20 0 BDADRP C[C@@H]1CC[C@H](CN)[N@H+](CC2(C)CC[NH2+]CC2)C1 ZINC001205804280 982562934 /nfs/dbraw/zinc/56/29/34/982562934.db2.gz MLZBHJANFDWGIA-CHWSQXEVSA-N 2 0 239.407 1.435 20 0 BDADRP CN(C[C@@H]1CCC[NH2+]C1)C1(C[NH3+])CCCCC1 ZINC001353035598 982670754 /nfs/dbraw/zinc/67/07/54/982670754.db2.gz SEHYSDFFMRAXAN-CYBMUJFWSA-N 2 0 239.407 1.579 20 0 BDADRP CN(CCC[NH+](C)C)c1cc(N)cc[nH+]1 ZINC000082539940 983093296 /nfs/dbraw/zinc/09/32/96/983093296.db2.gz QLIFJXTYAYHGML-UHFFFAOYSA-N 2 0 208.309 1.052 20 0 BDADRP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1CC1(F)CC[NH2+]CC1 ZINC001205902699 983117126 /nfs/dbraw/zinc/11/71/26/983117126.db2.gz KYFRXCCTCJIIJR-RYUDHWBXSA-N 3 0 243.370 1.137 20 0 BDADRP [NH3+]Cc1ccc(-c2cc3c(nn2)C[NH2+]C3)cc1 ZINC001241911327 983126210 /nfs/dbraw/zinc/12/62/10/983126210.db2.gz SJKNILYRDLYNGF-UHFFFAOYSA-N 2 0 226.283 1.206 20 0 BDADRP C[NH+](C)Cc1cccc(-n2c[nH+]cc2N)c1 ZINC001201392498 983216484 /nfs/dbraw/zinc/21/64/84/983216484.db2.gz KFHMCQHVOYARGX-UHFFFAOYSA-N 2 0 216.288 1.516 20 0 BDADRP CCCC[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001201714761 983421180 /nfs/dbraw/zinc/42/11/80/983421180.db2.gz AARCEAKMDVBXMV-UHFFFAOYSA-N 2 0 227.396 1.356 20 0 BDADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3cc[nH]n3)C[C@@H]2C1 ZINC001355374924 983480394 /nfs/dbraw/zinc/48/03/94/983480394.db2.gz WCNKMRYJLALQRJ-MBNYWOFBSA-N 2 0 248.374 1.572 20 0 BDADRP CC(C)[NH2+]CCC(=O)Nc1ccccc1C[NH3+] ZINC001355717960 983536278 /nfs/dbraw/zinc/53/62/78/983536278.db2.gz BEELNINUWMARRU-UHFFFAOYSA-N 2 0 235.331 1.472 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@@H]2COC[C@@H]2C2CC2)CC1 ZINC001356050369 983561413 /nfs/dbraw/zinc/56/14/13/983561413.db2.gz YTHMWERRRNMWIL-CCAROEGRSA-N 2 0 238.375 1.519 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)CC2CC([NH3+])C2)cc1 ZINC001357475106 983728677 /nfs/dbraw/zinc/72/86/77/983728677.db2.gz SXQXKVIGLQLGIF-UHFFFAOYSA-N 2 0 247.342 1.472 20 0 BDADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC001358005049 983813210 /nfs/dbraw/zinc/81/32/10/983813210.db2.gz UPBDZZKTECLAOT-FIQHERPVSA-N 2 0 241.379 1.136 20 0 BDADRP CC1(CC(F)F)C[NH+](CC2CC[NH2+]CC2)C1 ZINC001573619005 984036163 /nfs/dbraw/zinc/03/61/63/984036163.db2.gz AAMILYSNWGLVIN-UHFFFAOYSA-N 2 0 232.318 1.963 20 0 BDADRP C1[NH2+]CC12C[C@@H]([NH2+][C@@H]1CC[C@@H]3CCC[C@H]13)CO2 ZINC001574817111 984116602 /nfs/dbraw/zinc/11/66/02/984116602.db2.gz RFSLGIXUMZQRIH-QNWHQSFQSA-N 2 0 236.359 1.286 20 0 BDADRP C[C@H]([NH2+]C1CC2(CC([NH3+])C2)C1)[C@H]1CCOC1 ZINC001576239481 984159225 /nfs/dbraw/zinc/15/92/25/984159225.db2.gz NRJLLDRJFBOKKO-JWJAULAGSA-N 2 0 224.348 1.271 20 0 BDADRP C[C@@H]([NH2+]C1CC2(CC([NH3+])C2)C1)[C@H]1CCOC1 ZINC001576239479 984160002 /nfs/dbraw/zinc/16/00/02/984160002.db2.gz NRJLLDRJFBOKKO-JMRCTCEDSA-N 2 0 224.348 1.271 20 0 BDADRP C[C@@H]1C[C@@H](C[N@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)CC[NH2+]1 ZINC001576597832 984175924 /nfs/dbraw/zinc/17/59/24/984175924.db2.gz JEPSASZRNGYPIY-XHJNMGKDSA-N 2 0 238.375 1.077 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CC[NH2+]C2)C[C@@H]1C ZINC001576670168 984179655 /nfs/dbraw/zinc/17/96/55/984179655.db2.gz DNTGPOBMRMUGER-MROQNXINSA-N 2 0 226.364 1.125 20 0 BDADRP CCC[C@H]1CCCC[C@@H]1[NH2+]CCOCC[NH3+] ZINC001577377756 984196133 /nfs/dbraw/zinc/19/61/33/984196133.db2.gz VNPKLRAQCWSVDL-STQMWFEESA-N 2 0 228.380 1.910 20 0 BDADRP CCCCC[C@H](O)C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC001253551549 984203297 /nfs/dbraw/zinc/20/32/97/984203297.db2.gz PJFPQUHRJNSLEX-KGLIPLIRSA-N 2 0 242.407 1.859 20 0 BDADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cnsc2)C1 ZINC001202750323 984213737 /nfs/dbraw/zinc/21/37/37/984213737.db2.gz QYHBKHWMRIWODY-NSHDSACASA-N 2 0 239.388 1.965 20 0 BDADRP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@@H](C)CC(C)(C)C1 ZINC001578620852 984216010 /nfs/dbraw/zinc/21/60/10/984216010.db2.gz ADPWIDQWXMLFLZ-AAEUAGOBSA-N 2 0 228.380 1.325 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]C3CCC([NH3+])CC3)[C@H]2C1 ZINC001578520741 984217622 /nfs/dbraw/zinc/21/76/22/984217622.db2.gz GEPUEUARRLXNOD-ASUPZPJHSA-N 3 0 237.391 1.186 20 0 BDADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1C[C@H](C)CC(C)(C)C1 ZINC001578620856 984218097 /nfs/dbraw/zinc/21/80/97/984218097.db2.gz ADPWIDQWXMLFLZ-DGCLKSJQSA-N 2 0 228.380 1.325 20 0 BDADRP COCC[C@@H]([NH3+])C[NH2+]CC1(OC)CCCCC1 ZINC001579004379 984251405 /nfs/dbraw/zinc/25/14/05/984251405.db2.gz SYRHIFKTZNBCRF-GFCCVEGCSA-N 2 0 244.379 1.289 20 0 BDADRP Cc1cc(CN2CCCO[C@H](C[NH3+])C2)cc(C)n1 ZINC001579598063 984293576 /nfs/dbraw/zinc/29/35/76/984293576.db2.gz ACLFPDYTZFDFHN-CQSZACIVSA-N 2 0 249.358 1.248 20 0 BDADRP [NH3+][C@@H](C[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C1CC1 ZINC001580133467 984397393 /nfs/dbraw/zinc/39/73/93/984397393.db2.gz ZKIVKSFUFKJIQD-SNIKSBKOSA-N 2 0 236.359 1.127 20 0 BDADRP CC[N@@H+]1CCC[C@@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001275086443 984478170 /nfs/dbraw/zinc/47/81/70/984478170.db2.gz MDAFHVGXKCUJIW-CQSZACIVSA-N 2 0 239.407 1.356 20 0 BDADRP CC[NH+]1CCC2(C[NH+](CCn3ccnc3)C2)CC1 ZINC001275086445 984480473 /nfs/dbraw/zinc/48/04/73/984480473.db2.gz MEWCAUUBYXHOFI-UHFFFAOYSA-N 2 0 248.374 1.301 20 0 BDADRP [NH3+]CCCOCC[NH2+]Cc1ccc2c(n1)CCC2 ZINC001580301100 984505779 /nfs/dbraw/zinc/50/57/79/984505779.db2.gz SMMDOSYBDJMXEP-UHFFFAOYSA-N 2 0 249.358 1.025 20 0 BDADRP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC(=O)OC ZINC001275159180 984507336 /nfs/dbraw/zinc/50/73/36/984507336.db2.gz YSBFUUBPYCOBDC-YOGCLGLASA-N 2 0 240.347 1.154 20 0 BDADRP C[N@@H+]1CCC2(C1)CC[NH+](Cc1cn[nH]c1)CC2 ZINC001275211123 984521738 /nfs/dbraw/zinc/52/17/38/984521738.db2.gz JTSQBKOJAPYAKJ-UHFFFAOYSA-N 2 0 234.347 1.327 20 0 BDADRP Cc1nc(C2=CC[NH2+]C2)cc([C@@H]2CCC[NH2+]C2)n1 ZINC001243109966 984567065 /nfs/dbraw/zinc/56/70/65/984567065.db2.gz IKHYIXOUZCIRKJ-LLVKDONJSA-N 2 0 244.342 1.239 20 0 BDADRP C1=C(c2ccccc2CN2CC[NH2+]CC2)C[NH2+]C1 ZINC001243116614 984587355 /nfs/dbraw/zinc/58/73/55/984587355.db2.gz VGJPWXBQKFMBGW-UHFFFAOYSA-N 2 0 243.354 1.078 20 0 BDADRP CCN(CC[NH3+])C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001577715358 984653469 /nfs/dbraw/zinc/65/34/69/984653469.db2.gz JBDLYZIABVBUCY-UHFFFAOYSA-N 2 0 241.379 1.058 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC001577763605 984738387 /nfs/dbraw/zinc/73/83/87/984738387.db2.gz FWDRMSUWCIXVOC-RDBSUJKOSA-N 3 0 237.391 1.201 20 0 BDADRP CC[N@@H+]1CCC[C@H](N[C@@H]2C[NH2+]CC2(C)C)C1 ZINC001577771076 984774110 /nfs/dbraw/zinc/77/41/10/984774110.db2.gz RLMXAONJPZUEKK-NWDGAFQWSA-N 2 0 225.380 1.058 20 0 BDADRP CCN1CC[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)[C@H](C)C1 ZINC001577778266 984777939 /nfs/dbraw/zinc/77/79/39/984777939.db2.gz OVSNAMPHAPQSMY-FRRDWIJNSA-N 2 0 225.380 1.140 20 0 BDADRP C[N@@H+]1CCC2(C1)CC[NH+](Cc1cc[nH]c1)CC2 ZINC001276104167 984817482 /nfs/dbraw/zinc/81/74/82/984817482.db2.gz ZQJQAWUVRRUDNS-UHFFFAOYSA-N 2 0 233.359 1.932 20 0 BDADRP CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]C1CC([NH3+])C1 ZINC001577925970 984821382 /nfs/dbraw/zinc/82/13/82/984821382.db2.gz PEQQCNKMYAECRC-FFJHZOIPSA-N 2 0 240.347 1.188 20 0 BDADRP CCOC(=O)CC(C)(C)C[NH2+][C@@H](C)CC[NH3+] ZINC001577939488 984823715 /nfs/dbraw/zinc/82/37/15/984823715.db2.gz JLLBXSLSYAPOOA-JTQLQIEISA-N 2 0 230.352 1.293 20 0 BDADRP CCOC(CC[NH2+][C@H]1C[C@H]([NH3+])C1(C)C)OCC ZINC001578072820 984836247 /nfs/dbraw/zinc/83/62/47/984836247.db2.gz GYSCRDOFUOKKAX-QWRGUYRKSA-N 2 0 244.379 1.491 20 0 BDADRP Cn1cnc(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)c1 ZINC001276271829 984838146 /nfs/dbraw/zinc/83/81/46/984838146.db2.gz XZQNRAFJUSDHTB-UHFFFAOYSA-N 2 0 248.374 1.338 20 0 BDADRP CCOC(CC[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)OCC ZINC001578072818 984838810 /nfs/dbraw/zinc/83/88/10/984838810.db2.gz GYSCRDOFUOKKAX-GHMZBOCLSA-N 2 0 244.379 1.491 20 0 BDADRP CCO[C@H](C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1)C1CC1 ZINC001578076002 984841968 /nfs/dbraw/zinc/84/19/68/984841968.db2.gz YBZBMLILEFLMFE-HZSPNIEDSA-N 2 0 238.375 1.343 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]C(C)(C)C[NH3+])[C@@H]1SC ZINC001578093764 984846113 /nfs/dbraw/zinc/84/61/13/984846113.db2.gz JWPBSLFXRLPYHL-AEJSXWLSSA-N 2 0 232.393 1.222 20 0 BDADRP CCO[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001578148935 984854748 /nfs/dbraw/zinc/85/47/48/984854748.db2.gz OQCWFNDVGBOQDE-MGPQQGTHSA-N 2 0 240.391 1.923 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)CC[NH3+])[C@]12CCCO2 ZINC001578148533 984855107 /nfs/dbraw/zinc/85/51/07/984855107.db2.gz BDWCPJYLUKAYMJ-YVECIDJPSA-N 2 0 242.363 1.040 20 0 BDADRP CCO[C@@]1(C)C[C@H]1[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC001578161642 984864110 /nfs/dbraw/zinc/86/41/10/984864110.db2.gz TUZVCNHRIZHNKJ-KKOKHZNYSA-N 2 0 224.348 1.413 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+]C2CC3(C[C@@H]3[NH3+])C2)C1 ZINC001578160775 984864929 /nfs/dbraw/zinc/86/49/29/984864929.db2.gz CUIWJVCLBZIUEV-SGXOTSKUSA-N 2 0 210.321 1.023 20 0 BDADRP CC[C@H]1[NH2+]CC[C@@H]1[NH2+][C@H]1CCOC[C@@H]1C ZINC001578241687 984894683 /nfs/dbraw/zinc/89/46/83/984894683.db2.gz IGKBNWVCIHCBAX-USZNOCQGSA-N 2 0 212.337 1.142 20 0 BDADRP CCc1ccc2c(c1)CC[N@@H+](C[C@@](C)(O)C[NH3+])C2 ZINC001578263735 984913851 /nfs/dbraw/zinc/91/38/51/984913851.db2.gz VBBNGJPCVGWUOT-HNNXBMFYSA-N 2 0 248.370 1.317 20 0 BDADRP CC[C@@H](C)[NH+]1CCC([NH3+])(CCOC)CC1 ZINC001257435507 985009388 /nfs/dbraw/zinc/00/93/88/985009388.db2.gz FQGNKPBECSDVHP-LLVKDONJSA-N 2 0 214.353 1.615 20 0 BDADRP C[NH+](C)C1(CNC[C@H]([NH3+])CCC(C)(C)C)CC1 ZINC001578408835 985043331 /nfs/dbraw/zinc/04/33/31/985043331.db2.gz DDWVKVWCSNLCBS-GFCCVEGCSA-N 2 0 241.423 1.824 20 0 BDADRP CN(CCC[NH2+]C1CC1)CC[N@H+](C)C1CC1 ZINC001578469365 985098562 /nfs/dbraw/zinc/09/85/62/985098562.db2.gz XYCQVQWSMRVXDR-UHFFFAOYSA-N 2 0 225.380 1.155 20 0 BDADRP C[N@H+](CCCOC(F)(F)F)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578469235 985101669 /nfs/dbraw/zinc/10/16/69/985101669.db2.gz MDHNJGGUWYVGQK-BRPSZJMVSA-N 2 0 238.253 1.063 20 0 BDADRP CO[C@@H]1CCC[N@H+](C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000691985181 985109298 /nfs/dbraw/zinc/10/92/98/985109298.db2.gz JYAIXOYTKROGDR-KGLIPLIRSA-N 2 0 240.391 1.877 20 0 BDADRP C[N@@H+](Cc1cc(C2C[NH2+]C2)no1)CC1CCC1 ZINC001578486125 985115201 /nfs/dbraw/zinc/11/52/01/985115201.db2.gz PSLFKBBOIZWDSX-UHFFFAOYSA-N 2 0 235.331 1.593 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@H]2C1 ZINC001578520349 985136840 /nfs/dbraw/zinc/13/68/40/985136840.db2.gz ANHBHSXNTZAVFA-REVZXKJASA-N 2 0 249.402 1.199 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3CC[C@@H](C[NH3+])C3)[C@H]2C1 ZINC001578520782 985139000 /nfs/dbraw/zinc/13/90/00/985139000.db2.gz GNJWRIOZZTVYHJ-BJJPWKGXSA-N 3 0 237.391 1.044 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+]C2CC3(C[C@@H]3[NH3+])C2)CC1 ZINC001578523534 985140310 /nfs/dbraw/zinc/14/03/10/985140310.db2.gz MDFPBPBPZBTYHL-LXVYMNJGSA-N 3 0 237.391 1.188 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CC(CC[NH3+])C3)[C@@H]2C1 ZINC001578520892 985142158 /nfs/dbraw/zinc/14/21/58/985142158.db2.gz IUETXAKSZHUIJN-IYIPPKHMSA-N 3 0 237.391 1.044 20 0 BDADRP C[NH+]1CCC(C[NH2+]C[C@H]2CCC[NH2+]CC2)CC1 ZINC001578525036 985147254 /nfs/dbraw/zinc/14/72/54/985147254.db2.gz MOSWBYCCLYTGLK-ZDUSSCGKSA-N 3 0 239.407 1.308 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CC[C@@H]3CC[C@]32CN)CC1 ZINC001578524421 985150885 /nfs/dbraw/zinc/15/08/85/985150885.db2.gz WFJWDJPPZJODGG-KBPBESRZSA-N 2 0 237.391 1.141 20 0 BDADRP CN1Cc2ccccc2[C@H]1C[NH2+]C1CC([NH3+])C1 ZINC001578543631 985185797 /nfs/dbraw/zinc/18/57/97/985185797.db2.gz ODTRIQIBOOPENM-ORHYLEIMSA-N 2 0 231.343 1.252 20 0 BDADRP C[NH2+]C1CC[NH+](CC23CC(C)(C2)OC3)CC1 ZINC001578606811 985224591 /nfs/dbraw/zinc/22/45/91/985224591.db2.gz PPFAVSGTFHWJPW-UHFFFAOYSA-N 2 0 224.348 1.239 20 0 BDADRP CO[C@@H]1CC[C@@H](C)[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000687214324 985270935 /nfs/dbraw/zinc/27/09/35/985270935.db2.gz IXAJRMMHBFTJBG-HZSPNIEDSA-N 2 0 240.391 1.875 20 0 BDADRP C[NH2+]CCC[N@@H+]1C[C@@H](C)OCC[C@H]1C ZINC001578687099 985299995 /nfs/dbraw/zinc/29/99/95/985299995.db2.gz LRZNKJGLBPIHBT-GHMZBOCLSA-N 2 0 200.326 1.095 20 0 BDADRP C[NH2+]CCN(C(=O)CCCC[NH+](C)C)C(C)C ZINC001578699240 985303183 /nfs/dbraw/zinc/30/31/83/985303183.db2.gz YFLUUWFYZOJPSU-UHFFFAOYSA-N 2 0 243.395 1.175 20 0 BDADRP C[NH2+]CCOCC[NH2+]Cc1ccc(C)c(C)c1 ZINC001578709425 985306060 /nfs/dbraw/zinc/30/60/60/985306060.db2.gz BELKCUNENMQQDO-UHFFFAOYSA-N 2 0 236.359 1.629 20 0 BDADRP COC(=O)[C@]1(C)CC[N@H+](CCC[NH2+]C2CC2)C1 ZINC001578779030 985340849 /nfs/dbraw/zinc/34/08/49/985340849.db2.gz XUHNRZVRAPNCFO-CYBMUJFWSA-N 2 0 240.347 1.014 20 0 BDADRP COC(=O)[C@H]1CC[N@H+](CCC[NH2+]C2CC2)[C@@H]1C ZINC001578790514 985360229 /nfs/dbraw/zinc/36/02/29/985360229.db2.gz YDFVBOIREWDCPM-PWSUYJOCSA-N 2 0 240.347 1.012 20 0 BDADRP COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC001578832635 985411358 /nfs/dbraw/zinc/41/13/58/985411358.db2.gz IKPGYRAPJJYTAN-KXNHARMFSA-N 2 0 240.347 1.045 20 0 BDADRP COC(C)(C)CC[NH2+]C[C@H]([NH3+])CC(F)F ZINC001578892759 985458880 /nfs/dbraw/zinc/45/88/80/985458880.db2.gz HKRYADDYZQOTCQ-MRVPVSSYSA-N 2 0 224.295 1.374 20 0 BDADRP CO[C@](C)(C[N@H+](C)C1CC([NH3+])C1)C1CC1 ZINC001578898344 985471069 /nfs/dbraw/zinc/47/10/69/985471069.db2.gz XIKDPIFDMSRKFJ-HTAVTVPLSA-N 2 0 212.337 1.223 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H]2COC[C@H]2C)CC1 ZINC000688041932 985512739 /nfs/dbraw/zinc/51/27/39/985512739.db2.gz DYZYQMWJIIGYFY-DGCLKSJQSA-N 2 0 226.364 1.343 20 0 BDADRP CO[C@@H](C[NH2+]C1CC2(CC([NH3+])C2)C1)C1CC1 ZINC001578912552 985513737 /nfs/dbraw/zinc/51/37/37/985513737.db2.gz HTSUCBLXTUISNM-ARAJFMJPSA-N 2 0 224.348 1.271 20 0 BDADRP CO[C@H]1CC[C@@H]([N@@H+]2C[C@H]3C[NH2+]C[C@@]3(C)C2)C1 ZINC001578937116 985548105 /nfs/dbraw/zinc/54/81/05/985548105.db2.gz GTDZWKICPIPCGZ-NDBYEHHHSA-N 2 0 224.348 1.095 20 0 BDADRP CO[C@H]1CC[C@@H]([N@H+](C)CC2CC[NH2+]CC2)C1 ZINC001578938352 985550069 /nfs/dbraw/zinc/55/00/69/985550069.db2.gz RESUUCMNBNTQLM-OLZOCXBDSA-N 2 0 226.364 1.485 20 0 BDADRP C(=C/C1CC[NH2+]CC1)\c1ccc2c(n1)CC[NH2+]C2 ZINC001243891619 985556339 /nfs/dbraw/zinc/55/63/39/985556339.db2.gz CRQXUNFKKGCYOH-HNQUOIGGSA-N 2 0 243.354 1.740 20 0 BDADRP COC[C@@H](C[NH2+]C1CC2(C[C@H]2[NH3+])C1)C(C)C ZINC001578961372 985585052 /nfs/dbraw/zinc/58/50/52/985585052.db2.gz IZIGYNIQIWEGBV-CQLXCSJHSA-N 2 0 226.364 1.374 20 0 BDADRP COC[C@@H](C[NH2+]CC(C)(C)[NH3+])C(C)C ZINC001578961856 985590568 /nfs/dbraw/zinc/59/05/68/985590568.db2.gz WIUJFMRQWHSSCE-SNVBAGLBSA-N 2 0 202.342 1.232 20 0 BDADRP COCC[C@@H](C)[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578995748 985626304 /nfs/dbraw/zinc/62/63/04/985626304.db2.gz VXZXKFKRRISLPC-OUAUKWLOSA-N 2 0 200.326 1.128 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]CC[C@@H](C)[NH+](C)C)CO1 ZINC000688429285 985634455 /nfs/dbraw/zinc/63/44/55/985634455.db2.gz RDQNPPXNRBNRAJ-GRYCIOLGSA-N 2 0 214.353 1.484 20 0 BDADRP c1cc(C2=C[NH2+]CCC2)cc(N2CC[NH2+]CC2)n1 ZINC001243950468 985648164 /nfs/dbraw/zinc/64/81/64/985648164.db2.gz UUBFNKJXVAPZNX-UHFFFAOYSA-N 2 0 244.342 1.216 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+][C@@H](C)[C@@](C)(OC)C1CC1 ZINC001579001814 985651320 /nfs/dbraw/zinc/65/13/20/985651320.db2.gz LXXJJDAYVJPTCV-WCFLWFBJSA-N 2 0 244.379 1.143 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+][C@@H](C)[C@](C)(OC)C1CC1 ZINC001579001811 985657217 /nfs/dbraw/zinc/65/72/17/985657217.db2.gz LXXJJDAYVJPTCV-DRZSPHRISA-N 2 0 244.379 1.143 20 0 BDADRP COCC[C@@H]([NH3+])C[NH2+][C@H]1C[C@H](OC(C)(C)C)C1 ZINC001579004385 985663982 /nfs/dbraw/zinc/66/39/82/985663982.db2.gz TWUOUJHGQRSUQX-IJLUTSLNSA-N 2 0 244.379 1.286 20 0 BDADRP CO[C@@H]1CCCC[C@H]1[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001579114664 985751760 /nfs/dbraw/zinc/75/17/60/985751760.db2.gz UIXXEHMELXAKQO-UASOCQBVSA-N 2 0 224.348 1.413 20 0 BDADRP CO[C@@]1(C)C[C@H]1[NH2+]C1CC2(C1)CC[NH2+]CC2 ZINC001579129554 985806575 /nfs/dbraw/zinc/80/65/75/985806575.db2.gz HPLOIYKHKUKADB-NEPJUHHUSA-N 2 0 224.348 1.286 20 0 BDADRP C[S@](=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC001579354439 985856226 /nfs/dbraw/zinc/85/62/26/985856226.db2.gz CYMZYGPCAKSDDK-OYLDRBDASA-N 2 0 244.404 1.146 20 0 BDADRP CSCC[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC001579374335 985863390 /nfs/dbraw/zinc/86/33/90/985863390.db2.gz LJMRAVWQHQVWOS-NEPJUHHUSA-N 2 0 244.404 1.178 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCOC(C)(C)C1 ZINC001579454145 985939889 /nfs/dbraw/zinc/93/98/89/985939889.db2.gz YNMBCFIIVDDAAR-UPJWGTAASA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@]1(C)CCCO ZINC001579454398 985945431 /nfs/dbraw/zinc/94/54/31/985945431.db2.gz AIRJZPUIXIJIJS-RDBSUJKOSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@@]12CSC[C@@H]1C[N@H+](CCC1C[NH2+]C1)C2 ZINC001579475483 985990190 /nfs/dbraw/zinc/99/01/90/985990190.db2.gz DJUBGWFREZXQSU-NWDGAFQWSA-N 2 0 226.389 1.281 20 0 BDADRP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)C1CCOCC1 ZINC001327841373 986014839 /nfs/dbraw/zinc/01/48/39/986014839.db2.gz WEFFGDOOOZLESW-QWRGUYRKSA-N 2 0 214.353 1.389 20 0 BDADRP C[C@H]1[NH2+]CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC001579504952 986041497 /nfs/dbraw/zinc/04/14/97/986041497.db2.gz ACYRLRVHXHFROW-AXWZBMJISA-N 2 0 236.359 1.140 20 0 BDADRP C[C@H]1c2ccccc2C[C@H]1[NH2+]C[C@H]1CNCCO1 ZINC001579507577 986057058 /nfs/dbraw/zinc/05/70/58/986057058.db2.gz FESCRDZBSCCDPM-NJZAAPMLSA-N 2 0 246.354 1.293 20 0 BDADRP Cc1c[nH]c(=O)c(C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)c1 ZINC001579543792 986077422 /nfs/dbraw/zinc/07/74/22/986077422.db2.gz IORBSAJRVBUMCJ-GHMZBOCLSA-N 2 0 235.331 1.311 20 0 BDADRP Cc1cc(F)ccc1[C@H](C)[NH2+]CCOCC[NH3+] ZINC001579617070 986135253 /nfs/dbraw/zinc/13/52/53/986135253.db2.gz KZXHIMDFKGCNKG-NSHDSACASA-N 2 0 240.322 1.760 20 0 BDADRP Cc1cn(C)nc1C[NH2+]C[C@H]1CCC[NH2+]CC1 ZINC001579818174 986237051 /nfs/dbraw/zinc/23/70/51/986237051.db2.gz JSFPZVQONXZDCE-LBPRGKRZSA-N 2 0 236.363 1.208 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@]2(C)CCO[C@@H]2C)CC1 ZINC001462079836 986278414 /nfs/dbraw/zinc/27/84/14/986278414.db2.gz KCQZMMXJKCPSMQ-TZMCWYRMSA-N 2 0 240.391 1.875 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CC[C@H](C)[C@H]2CO)CC1 ZINC001462092776 986280047 /nfs/dbraw/zinc/28/00/47/986280047.db2.gz KJWPARMDGQMRNM-GXTWGEPZSA-N 2 0 240.391 1.421 20 0 BDADRP Cc1ncccc1C[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001579882446 986298028 /nfs/dbraw/zinc/29/80/28/986298028.db2.gz ZCBSTRLLLVKSRA-CPCZMJQVSA-N 2 0 217.316 1.359 20 0 BDADRP Cc1ncoc1C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC001579887510 986306948 /nfs/dbraw/zinc/30/69/48/986306948.db2.gz FCMDQBVDDBTCDV-MWLCHTKSSA-N 2 0 223.320 1.400 20 0 BDADRP Cc1noc([C@@H](C)[NH2+]C[C@H]2CC[C@@H]([NH3+])C2)n1 ZINC001579917398 986336619 /nfs/dbraw/zinc/33/66/19/986336619.db2.gz XRMHLNADDZTSQO-FKTZTGRPSA-N 2 0 224.308 1.156 20 0 BDADRP Cn1cc([C@@H]2C[C@H]2C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cn1 ZINC001579969077 986367947 /nfs/dbraw/zinc/36/79/47/986367947.db2.gz BUHFEMSVVHETBK-YUTCNCBUSA-N 2 0 248.374 1.194 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CC1(F)F ZINC000689185253 986379017 /nfs/dbraw/zinc/37/90/17/986379017.db2.gz KACWESYZZGVOKJ-IVZWLZJFSA-N 2 0 230.302 1.891 20 0 BDADRP CCC[NH+]1C[C@@H]2C[NH+](C[C@H](O)C(C)C)C[C@H]2C1 ZINC001253767348 986391498 /nfs/dbraw/zinc/39/14/98/986391498.db2.gz KXIQMXYRQWLTPV-MCIONIFRSA-N 2 0 240.391 1.277 20 0 BDADRP FC(F)(F)c1c[nH+]ccc1NC1CC[NH2+]CC1 ZINC001580021463 986418034 /nfs/dbraw/zinc/41/80/34/986418034.db2.gz PRAXKBXCOFFKHZ-UHFFFAOYSA-N 2 0 245.248 1.686 20 0 BDADRP Fc1ccc(CC[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC001580031113 986435904 /nfs/dbraw/zinc/43/59/04/986435904.db2.gz VBKJUBBBDBKNIJ-ITGUQSILSA-N 2 0 220.291 1.176 20 0 BDADRP C[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001261492910 986513860 /nfs/dbraw/zinc/51/38/60/986513860.db2.gz ACISSXWAQYNKQR-UTUOFQBUSA-N 2 0 241.379 1.138 20 0 BDADRP C[C@H]1C[C@@H](C[NH+]2CCC(F)CC2)CC[NH2+]1 ZINC000689435797 986603134 /nfs/dbraw/zinc/60/31/34/986603134.db2.gz MFBWXVYRCGTAQB-QWRGUYRKSA-N 2 0 214.328 1.808 20 0 BDADRP [NH3+]C1(CCN2CCn3cccc3C2)CCOCC1 ZINC001580144022 986614012 /nfs/dbraw/zinc/61/40/12/986614012.db2.gz LHGGCCDGAGPTTH-UHFFFAOYSA-N 2 0 249.358 1.202 20 0 BDADRP [NH3+]C1(C[NH2+]CC2Cc3ccccc3C2)CC1 ZINC001580152353 986625779 /nfs/dbraw/zinc/62/57/79/986625779.db2.gz HYMXEBHRMITHCV-UHFFFAOYSA-N 2 0 216.328 1.482 20 0 BDADRP [NH3+]C1CC([NH2+]C[C@H]2C[C@@H]2C2CCCC2)C1 ZINC001580162622 986637485 /nfs/dbraw/zinc/63/74/85/986637485.db2.gz CIZGRQFQESYBAO-IKWCTNDRSA-N 2 0 208.349 1.892 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+]C[C@@H]1CCSC1)C2 ZINC001580163385 986639066 /nfs/dbraw/zinc/63/90/66/986639066.db2.gz AGWGEKSCVVNDJS-QPBDYMMBSA-N 2 0 212.362 1.209 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+]C[C@@H]1C[C@@H]3CCC[C@H]3O1)C2 ZINC001580167314 986640295 /nfs/dbraw/zinc/64/02/95/986640295.db2.gz XYWQOWFOAZLCHP-KXRJTCLESA-N 2 0 236.359 1.413 20 0 BDADRP CC[NH+]1CCN([C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254516245 986659551 /nfs/dbraw/zinc/65/95/51/986659551.db2.gz LEMPVIYLUSCASQ-CYBMUJFWSA-N 2 0 225.380 1.108 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH+]2CC[C@]23CCOC3)CC1 ZINC001254532360 986674839 /nfs/dbraw/zinc/67/48/39/986674839.db2.gz RVGBGXVZRZGUOT-CHWSQXEVSA-N 2 0 224.348 1.336 20 0 BDADRP [NH3+]C[C@]12CN(Cc3ncccn3)C[C@H]1CCCC2 ZINC001580256780 986708129 /nfs/dbraw/zinc/70/81/29/986708129.db2.gz XUVAZIJGUPPUOE-TZMCWYRMSA-N 2 0 246.358 1.428 20 0 BDADRP [NH3+]C[C@@]12C[N@H+](CC3(O)CCC3)C[C@H]1CCCC2 ZINC001580256241 986710733 /nfs/dbraw/zinc/71/07/33/986710733.db2.gz RUBJXMIZFPVOGP-OLZOCXBDSA-N 2 0 238.375 1.352 20 0 BDADRP [NH3+]C[C@H]1CCCC12CC[NH+](CCF)CC2 ZINC001580259533 986716536 /nfs/dbraw/zinc/71/65/36/986716536.db2.gz BURNVNXLNGIWRL-LLVKDONJSA-N 2 0 214.328 1.797 20 0 BDADRP [NH3+]C[C@H]1CN(CC23CCC(CC2)C3)CCO1 ZINC001580274042 986721872 /nfs/dbraw/zinc/72/18/72/986721872.db2.gz CPEATLIWGCKVCJ-CPCZMJQVSA-N 2 0 224.348 1.226 20 0 BDADRP [NH3+]CCCCCCC[N@@H+]1CC[C@](F)(CO)C1 ZINC001580293185 986736709 /nfs/dbraw/zinc/73/67/09/986736709.db2.gz WEMMDDVTSZYACI-GFCCVEGCSA-N 2 0 232.343 1.302 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@H]1CCSC1 ZINC001580371955 986796788 /nfs/dbraw/zinc/79/67/88/986796788.db2.gz FZMBMJOCUMIKPQ-IVZWLZJFSA-N 2 0 200.351 1.351 20 0 BDADRP CC[N@H+](CCC[NH+](C)C)C1CCOCC1 ZINC001255047605 986803195 /nfs/dbraw/zinc/80/31/95/986803195.db2.gz VFJRKOBUBACNAO-UHFFFAOYSA-N 2 0 214.353 1.439 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+](C1CCSCC1)CC2 ZINC001255094932 986819211 /nfs/dbraw/zinc/81/92/11/986819211.db2.gz PDBAZZVZMVFQAL-UHFFFAOYSA-N 2 0 240.416 1.910 20 0 BDADRP C[C@@H]1CC[C@H](N2CC[C@]3(CC[N@H+](C)C3)C2)C[NH2+]1 ZINC000383901636 986832093 /nfs/dbraw/zinc/83/20/93/986832093.db2.gz NSIXZRCILUOBGP-RDBSUJKOSA-N 2 0 237.391 1.155 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@@H](c3ccncn3)C2)C1 ZINC001580418856 986837123 /nfs/dbraw/zinc/83/71/23/986837123.db2.gz IOOQRXPGFNYBEF-UPJWGTAASA-N 2 0 246.358 1.393 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC001580421816 986838126 /nfs/dbraw/zinc/83/81/26/986838126.db2.gz QWOCBZDBVRWUAC-LEOWZXHUSA-N 2 0 236.359 1.127 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+][C@H]2CCc3cccnc3CC2)C1 ZINC001580423121 986842697 /nfs/dbraw/zinc/84/26/97/986842697.db2.gz PTAMOPHWWJEIPX-RWMBFGLXSA-N 2 0 231.343 1.408 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCCC[C@@H]2O)CC1 ZINC000393255112 986859172 /nfs/dbraw/zinc/85/91/72/986859172.db2.gz KWPIUEBWUHBPNK-AGIUHOORSA-N 2 0 226.364 1.364 20 0 BDADRP CC(C)N(C[C@H](C)[NH3+])[C@@H]1CCC[NH2+]CC1 ZINC001206583022 986902334 /nfs/dbraw/zinc/90/23/34/986902334.db2.gz RVUMKSRSOSQZII-NWDGAFQWSA-N 2 0 213.369 1.186 20 0 BDADRP CC(C)CC[C@H](C)[NH2+]CCOCC[NH3+] ZINC001256355097 987175246 /nfs/dbraw/zinc/17/52/46/987175246.db2.gz RDCCAVPGUMALLT-NSHDSACASA-N 2 0 202.342 1.376 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+]C[C@@H](O)C(C)(C)C)C[NH2+]1 ZINC001245977097 987248297 /nfs/dbraw/zinc/24/82/97/987248297.db2.gz VJGQFQYRULRUFH-IJLUTSLNSA-N 2 0 228.380 1.371 20 0 BDADRP CCC[C@H](O)C[NH2+]C[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001245974806 987251597 /nfs/dbraw/zinc/25/15/97/987251597.db2.gz NXIPJEWJWLMZML-UTUOFQBUSA-N 2 0 214.353 1.125 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1C[NH2+]C[C@H](O)c1ccccc1 ZINC001245983134 987257020 /nfs/dbraw/zinc/25/70/20/987257020.db2.gz MTCXXXCIZSZVNH-SNPRPXQTSA-N 2 0 248.370 1.555 20 0 BDADRP CCCC[C@H](O)C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC001245980231 987261414 /nfs/dbraw/zinc/26/14/14/987261414.db2.gz HLMDUTSNNYKQNR-RYUDHWBXSA-N 2 0 214.353 1.127 20 0 BDADRP CC(C)(C)OC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC001245983940 987262796 /nfs/dbraw/zinc/26/27/96/987262796.db2.gz KPEBDLNAKXIVQQ-IJLUTSLNSA-N 2 0 244.379 1.022 20 0 BDADRP C[C@@](O)(C[NH2+]C[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC001245983761 987267843 /nfs/dbraw/zinc/26/78/43/987267843.db2.gz URFGOWUSPVGIFF-DZGCQCFKSA-N 2 0 248.370 1.483 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](C[NH2+]C[C@H](O)c2ccccc2)C1 ZINC001245993067 987271206 /nfs/dbraw/zinc/27/12/06/987271206.db2.gz MPERWKFIBUEQEO-GUTXKFCHSA-N 2 0 248.370 1.555 20 0 BDADRP C[C@@H](O)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000692911879 987296233 /nfs/dbraw/zinc/29/62/33/987296233.db2.gz FDEZLOXRSVQNGW-DGCLKSJQSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H](O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000692950605 987300649 /nfs/dbraw/zinc/30/06/49/987300649.db2.gz SGVWJRNMKBWVSV-DGCLKSJQSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@H](O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000692950606 987301469 /nfs/dbraw/zinc/30/14/69/987301469.db2.gz SGVWJRNMKBWVSV-WCQYABFASA-N 2 0 226.364 1.079 20 0 BDADRP [NH3+][C@H]1CCC[N@H+](C[C@@H](O)c2ccccc2)CC1 ZINC001246017023 987303529 /nfs/dbraw/zinc/30/35/29/987303529.db2.gz PRHQDNGGTXOQGI-UONOGXRCSA-N 2 0 234.343 1.533 20 0 BDADRP CC(C)[C@H](O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001246019901 987305191 /nfs/dbraw/zinc/30/51/91/987305191.db2.gz IYADGHULFSODLI-FRRDWIJNSA-N 2 0 228.380 1.310 20 0 BDADRP CCCC[C@@H](O)C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246020607 987306825 /nfs/dbraw/zinc/30/68/25/987306825.db2.gz IWHJAHBYATZLGE-KGLIPLIRSA-N 2 0 242.407 1.988 20 0 BDADRP CCCCC[C@@H](O)C[NH+]1CCC(F)(C[NH3+])CC1 ZINC001246025967 987324246 /nfs/dbraw/zinc/32/42/46/987324246.db2.gz HQJOONCHAYFIDW-GFCCVEGCSA-N 2 0 246.370 1.690 20 0 BDADRP CC(C)[C@@H](O)C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246027712 987324737 /nfs/dbraw/zinc/32/47/37/987324737.db2.gz YGXAODZFSLFGDB-QWHCGFSZSA-N 2 0 226.364 1.221 20 0 BDADRP CC(C)(C)[C@@H](O)C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246026577 987326384 /nfs/dbraw/zinc/32/63/84/987326384.db2.gz UVDDUQDLAQIXBL-GXTWGEPZSA-N 2 0 240.391 1.611 20 0 BDADRP COCCC[N@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000697052282 987347762 /nfs/dbraw/zinc/34/77/62/987347762.db2.gz MUFVIQNMEUHYHC-GFCCVEGCSA-N 2 0 214.353 1.344 20 0 BDADRP CC(C)(C)[C@@H](O)C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246054465 987347813 /nfs/dbraw/zinc/34/78/13/987347813.db2.gz ZPZGALTYOMRUBB-XQQFMLRXSA-N 2 0 240.391 1.325 20 0 BDADRP CCOC1CC[NH+](C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000697089089 987350254 /nfs/dbraw/zinc/35/02/54/987350254.db2.gz UUHPXBKTPIIDCO-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP CC(C)(C)[C@H](O)C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246054464 987350345 /nfs/dbraw/zinc/35/03/45/987350345.db2.gz ZPZGALTYOMRUBB-FRRDWIJNSA-N 2 0 240.391 1.325 20 0 BDADRP Cc1ccccc1C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246072706 987358911 /nfs/dbraw/zinc/35/89/11/987358911.db2.gz RTWWWDYTBAOBBV-CQSZACIVSA-N 2 0 245.370 1.179 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@](C)(O)c2ccccc2)CC[NH2+]1 ZINC001246073413 987361117 /nfs/dbraw/zinc/36/11/17/987361117.db2.gz VJCBJTSVLLBBTJ-SNPRPXQTSA-N 2 0 248.370 1.624 20 0 BDADRP CSCC[C@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC001246074048 987362866 /nfs/dbraw/zinc/36/28/66/987362866.db2.gz BOXIWXWNBNMWTM-JTQLQIEISA-N 2 0 216.394 1.989 20 0 BDADRP CC1(C)C[C@H](NCC2([NH3+])CCCC2)CC[NH2+]1 ZINC001246076580 987368061 /nfs/dbraw/zinc/36/80/61/987368061.db2.gz QCXZCOPHDNKJBI-LLVKDONJSA-N 2 0 225.380 1.378 20 0 BDADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC001246077863 987369907 /nfs/dbraw/zinc/36/99/07/987369907.db2.gz LBWAGTBCVGGOER-ZYHUDNBSSA-N 2 0 240.347 1.060 20 0 BDADRP CC[C@H](C)OCC[C@H](C)[NH2+]C1CC[NH2+]CC1 ZINC001246080275 987370618 /nfs/dbraw/zinc/37/06/18/987370618.db2.gz QMVSTDDDQYAZQG-RYUDHWBXSA-N 2 0 228.380 1.922 20 0 BDADRP C[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCOC1 ZINC000699316186 987372874 /nfs/dbraw/zinc/37/28/74/987372874.db2.gz XLYTXQUCULEJIY-WVMKXHBISA-N 2 0 224.348 1.238 20 0 BDADRP C([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCO1 ZINC000699316227 987373496 /nfs/dbraw/zinc/37/34/96/987373496.db2.gz XVYBXPSWBPQMME-WVMKXHBISA-N 2 0 224.348 1.286 20 0 BDADRP C[C@@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000699314180 987374009 /nfs/dbraw/zinc/37/40/09/987374009.db2.gz IUIALRAWVUTQQA-ODWCKFRGSA-N 2 0 224.348 1.238 20 0 BDADRP C[C@H]1CC[C@H](N[C@@H]2CCC[N@H+](C)CC2)C[NH2+]1 ZINC001246080822 987377113 /nfs/dbraw/zinc/37/71/13/987377113.db2.gz OTEGNHNIELYWQX-XQQFMLRXSA-N 2 0 225.380 1.201 20 0 BDADRP C[N@@H+]1CCC[C@H](NCC2([NH3+])CCCC2)CC1 ZINC001246084805 987382443 /nfs/dbraw/zinc/38/24/43/987382443.db2.gz RMNOXVLNZTVXDZ-LBPRGKRZSA-N 2 0 225.380 1.332 20 0 BDADRP CCCCC[C@H](C)[NH2+]C[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001246085310 987383935 /nfs/dbraw/zinc/38/39/35/987383935.db2.gz WGKIZOQXJASBDD-RWMBFGLXSA-N 2 0 246.370 1.607 20 0 BDADRP C[C@@H](Cc1cccnc1)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246086219 987385211 /nfs/dbraw/zinc/38/52/11/987385211.db2.gz SMZUSXCTDZIAEX-OBJOEFQTSA-N 2 0 233.359 1.743 20 0 BDADRP C[C@@H]1CC[C@H](CNC2C[C@H](C)[NH2+][C@@H](C)C2)C[NH2+]1 ZINC001246086451 987387270 /nfs/dbraw/zinc/38/72/70/987387270.db2.gz AHRGTXPTCKMFOK-VOAKCMCISA-N 2 0 239.407 1.493 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N[C@@H]1CCCC[NH2+]C1 ZINC001246089357 987392447 /nfs/dbraw/zinc/39/24/47/987392447.db2.gz DGJWWXOYFJZYLK-ZIAGYGMSSA-N 2 0 241.423 1.839 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]C[C@@]2(C)CCC[NH2+]CC2)CN1 ZINC001246092611 987398286 /nfs/dbraw/zinc/39/82/86/987398286.db2.gz FFYMOSYVCHENMI-MCIONIFRSA-N 2 0 239.407 1.496 20 0 BDADRP C1C[C@@H]2C[C@H](N[C@H]3CCCC[NH2+]C3)C[C@H](C1)[NH2+]2 ZINC001246093443 987401420 /nfs/dbraw/zinc/40/14/20/987401420.db2.gz WRVVNSWAURSDCL-RFQIPJPRSA-N 2 0 237.391 1.391 20 0 BDADRP CC(C)[C@H]1C[C@H](NC[C@@H]2C[C@H](F)C[NH2+]2)CC[NH2+]1 ZINC001246094896 987404416 /nfs/dbraw/zinc/40/44/16/987404416.db2.gz GTMDONCRETWQIF-QNWHQSFQSA-N 2 0 243.370 1.053 20 0 BDADRP C[C@@H]1C[NH2+]CCC[C@H]1C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246095437 987405611 /nfs/dbraw/zinc/40/56/11/987405611.db2.gz IQDCYFTTZIHGPY-HZSPNIEDSA-N 3 0 239.407 1.354 20 0 BDADRP COC1CCC([NH2+]C[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246095568 987405936 /nfs/dbraw/zinc/40/59/36/987405936.db2.gz LGMOGJXLYYQXMD-FEPKRQSRSA-N 2 0 240.391 1.922 20 0 BDADRP CC(C)[C@@H]1C[C@@H](NC[C@@H]2C[C@H](F)C[NH2+]2)CC[NH2+]1 ZINC001246094894 987406082 /nfs/dbraw/zinc/40/60/82/987406082.db2.gz GTMDONCRETWQIF-CYDGBPFRSA-N 2 0 243.370 1.053 20 0 BDADRP C[C@H](Cc1ccccn1)[NH2+]C[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246095640 987406195 /nfs/dbraw/zinc/40/61/95/987406195.db2.gz LLINLWQTTKOSSB-MCIONIFRSA-N 2 0 247.386 1.990 20 0 BDADRP C1C[C@H]2CC(N[C@@H]3CCC[NH2+]CC3)C[C@@H]1[NH2+]2 ZINC001246096982 987409542 /nfs/dbraw/zinc/40/95/42/987409542.db2.gz MDNQOQSLTCJEGF-FKJOKYEKSA-N 2 0 223.364 1.001 20 0 BDADRP C[NH2+]C1CCC([NH2+]C[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246098922 987413701 /nfs/dbraw/zinc/41/37/01/987413701.db2.gz QKWOHQLURWQQFA-KBHBFKLGSA-N 3 0 239.407 1.495 20 0 BDADRP CC[NH+]1CCC(NC[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246098975 987414981 /nfs/dbraw/zinc/41/49/81/987414981.db2.gz QSHYTQBWPDFXLD-OLZOCXBDSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+]C2C[C@@H]3C=C[C@H](C2)O3)C[NH2+]1 ZINC001246099428 987416967 /nfs/dbraw/zinc/41/69/67/987416967.db2.gz QZTUFPDVBLLDDN-DUJLVANISA-N 2 0 236.359 1.450 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](C[NH2+][C@@H]2CCCOC2)C1 ZINC001246099652 987418538 /nfs/dbraw/zinc/41/85/38/987418538.db2.gz MGMAEDHOTSTBQF-QJPTWQEYSA-N 2 0 212.337 1.001 20 0 BDADRP C[NH2+]C1CCC([NH2+]C[C@@H]2C[NH2+]C[C@@H](C)C2)CC1 ZINC001246100598 987418743 /nfs/dbraw/zinc/41/87/43/987418743.db2.gz ONZUFNHOPUZLJO-FEPKRQSRSA-N 3 0 239.407 1.352 20 0 BDADRP C[C@@H](Cc1ccccn1)[NH2+]C[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001246099676 987419702 /nfs/dbraw/zinc/41/97/02/987419702.db2.gz MHGKPVFXXNFLMN-MELADBBJSA-N 2 0 247.386 1.848 20 0 BDADRP CC(C)[C@H]1C[C@@H](N[C@@H]2CCCC[C@@H]2[NH3+])CC[NH2+]1 ZINC001246101847 987424956 /nfs/dbraw/zinc/42/49/56/987424956.db2.gz MOKKEHHXEVMFMS-IGQOVBAYSA-N 2 0 239.407 1.623 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1N[C@H]1CCC[N@H+](C)CC1 ZINC001246101816 987425338 /nfs/dbraw/zinc/42/53/38/987425338.db2.gz MMWGDZNCCDWVHN-FRRDWIJNSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H]1CC[C@@H](CNC2CC[NH+](C)CC2)C[NH2+]1 ZINC001246103830 987429959 /nfs/dbraw/zinc/42/99/59/987429959.db2.gz XZMLHHNOYXPHGC-VXGBXAGGSA-N 2 0 225.380 1.058 20 0 BDADRP CCOCC[C@H](C)[NH2+]C[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001246104738 987433622 /nfs/dbraw/zinc/43/36/22/987433622.db2.gz UPYYWKNERXVHTQ-RWMBFGLXSA-N 2 0 228.380 1.637 20 0 BDADRP C[C@H]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)O3)[NH2+]C1 ZINC001246106996 987436487 /nfs/dbraw/zinc/43/64/87/987436487.db2.gz RUELDWNBNNBHKS-PJIALRRASA-N 2 0 238.375 1.674 20 0 BDADRP C[NH2+]CC[C@@H](C)[NH2+]CCCC1CC[NH2+]CC1 ZINC001246106260 987438446 /nfs/dbraw/zinc/43/84/46/987438446.db2.gz OSYJLKBNJDKRHR-GFCCVEGCSA-N 3 0 227.396 1.354 20 0 BDADRP COC1CCC([NH2+]C[C@@H]2CC[C@H](C)C[NH2+]2)CC1 ZINC001246113314 987448988 /nfs/dbraw/zinc/44/89/88/987448988.db2.gz NRQAJKNHTAAMKO-AHPWVWPOSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1CN[C@H]1CCCC[NH2+]C1 ZINC001246112591 987449906 /nfs/dbraw/zinc/44/99/06/987449906.db2.gz RSBLLRQSLSESMV-AVGNSLFASA-N 2 0 225.380 1.106 20 0 BDADRP C[C@@H]1CC[C@@H](CN[C@@H]2CCCC[NH2+]C2)[NH2+]C1 ZINC001246113336 987450053 /nfs/dbraw/zinc/45/00/53/987450053.db2.gz NTWNODWCEZWJBV-UPJWGTAASA-N 2 0 225.380 1.106 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1C[NH2+][C@@H]1CCCSC1 ZINC001246113847 987451380 /nfs/dbraw/zinc/45/13/80/987451380.db2.gz UKOGGCWQJKRUDY-SDDRHHMPSA-N 2 0 228.405 1.860 20 0 BDADRP [NH3+][C@@H]1Cc2ccccc2N([C@H]2CCC[NH2+]C2)C1 ZINC001246113081 987451631 /nfs/dbraw/zinc/45/16/31/987451631.db2.gz IMIYOGFNRWISNF-OLZOCXBDSA-N 2 0 231.343 1.128 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[NH2+][C@H]2C)C1 ZINC001246114394 987453690 /nfs/dbraw/zinc/45/36/90/987453690.db2.gz WGTLWNHHMMEBTL-RFQIPJPRSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]1CC[C@H](CN[C@H]2CCC[N@H+](C)CC2)[NH2+]C1 ZINC001246115386 987454915 /nfs/dbraw/zinc/45/49/15/987454915.db2.gz RRBZKYGNFZUMRG-HZSPNIEDSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]1C[NH2+]CCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246117099 987460057 /nfs/dbraw/zinc/46/00/57/987460057.db2.gz IGWQXYIZXUNWRE-SYCZCVCYSA-N 2 0 237.391 1.247 20 0 BDADRP CCC[C@@H](C)CC[C@@H](C)[NH2+]CCC1(O)C[NH2+]C1 ZINC001246119841 987464349 /nfs/dbraw/zinc/46/43/49/987464349.db2.gz XISAPMPIOHGGEE-CHWSQXEVSA-N 2 0 242.407 1.905 20 0 BDADRP CCC[C@H](C)CC[C@@H](C)[NH2+]CCC1(O)C[NH2+]C1 ZINC001246119846 987464514 /nfs/dbraw/zinc/46/45/14/987464514.db2.gz XISAPMPIOHGGEE-QWHCGFSZSA-N 2 0 242.407 1.905 20 0 BDADRP CC[C@H]1CC(N[C@H]2C[NH2+]C[C@H]2F)C[C@H](CC)[NH2+]1 ZINC001246126104 987471400 /nfs/dbraw/zinc/47/14/00/987471400.db2.gz KTIOWIOBGXWNAG-DJIHRAIXSA-N 2 0 243.370 1.195 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCC3(C2)CC[NH2+]CC3)C[NH2+]1 ZINC001246123486 987472167 /nfs/dbraw/zinc/47/21/67/987472167.db2.gz APUMSRVPVJLHCY-AGIUHOORSA-N 3 0 237.391 1.249 20 0 BDADRP C([NH2+][C@@H]1CCCNC1)C1CC2(C1)CC[NH2+]CC2 ZINC001246123697 987474518 /nfs/dbraw/zinc/47/45/18/987474518.db2.gz AFUJKZNKQBSGQM-CYBMUJFWSA-N 2 0 237.391 1.108 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@@H]2C[NH2+]CC23CC3)CC1 ZINC001246129719 987477800 /nfs/dbraw/zinc/47/78/00/987477800.db2.gz HHFBZHFGMIDNNV-WXRRBKDZSA-N 3 0 237.391 1.201 20 0 BDADRP C[NH2+]CC[C@@H](C)N[C@H]1C[NH2+]Cc2ccsc21 ZINC001246150794 987511297 /nfs/dbraw/zinc/51/12/97/987511297.db2.gz YJDQRIPDPNWDRK-KOLCDFICSA-N 2 0 239.388 1.480 20 0 BDADRP CCC[NH+](CCC)CCN[C@H]1CCCC[NH2+]C1 ZINC001246162288 987519559 /nfs/dbraw/zinc/51/95/59/987519559.db2.gz NMLNVWPJZWWCOW-AWEZNQCLSA-N 2 0 241.423 1.840 20 0 BDADRP CCCC[N@H+](CC)CCN[C@H]1CCCC[NH2+]C1 ZINC001246161311 987520009 /nfs/dbraw/zinc/52/00/09/987520009.db2.gz JFRCPGVIUAADKM-AWEZNQCLSA-N 2 0 241.423 1.840 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCCCCC[NH3+])CC[NH2+]1 ZINC001246163466 987525583 /nfs/dbraw/zinc/52/55/83/987525583.db2.gz IWGKPVQIODYRKS-RYUDHWBXSA-N 3 0 213.369 1.236 20 0 BDADRP [NH3+]CCCCCC[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246165902 987529615 /nfs/dbraw/zinc/52/96/15/987529615.db2.gz RZVGANZEICRGOR-GFCCVEGCSA-N 3 0 213.369 1.237 20 0 BDADRP C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@H]1CCCC[NH2+]1 ZINC001246167762 987530725 /nfs/dbraw/zinc/53/07/25/987530725.db2.gz FZIZPCLNCRLWTE-RQJABVFESA-N 2 0 237.391 1.391 20 0 BDADRP CCCC[N@H+](C)CCN[C@@H]1CCC[NH2+]C1 ZINC001246168894 987534766 /nfs/dbraw/zinc/53/47/66/987534766.db2.gz FWXNYQCHKZDCLH-GFCCVEGCSA-N 2 0 213.369 1.060 20 0 BDADRP CC(C)N(CCC[NH3+])[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246173201 987538221 /nfs/dbraw/zinc/53/82/21/987538221.db2.gz QYODCBYOFIIZFD-VXGBXAGGSA-N 2 0 213.369 1.186 20 0 BDADRP C[NH2+]CC[C@@H](C)[NH2+][C@@H](C)c1cccc(N)c1 ZINC001246175664 987542167 /nfs/dbraw/zinc/54/21/67/987542167.db2.gz MBTDGKAECJJZFQ-MNOVXSKESA-N 2 0 221.348 1.917 20 0 BDADRP Cc1cnc(CC[NH3+])n1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246176033 987542296 /nfs/dbraw/zinc/54/22/96/987542296.db2.gz JXTRRCMHSPHOHO-KOLCDFICSA-N 2 0 222.336 1.006 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246182849 987555681 /nfs/dbraw/zinc/55/56/81/987555681.db2.gz AMQWUAPLVJLKHN-GIPGFSNBSA-N 3 0 237.391 1.378 20 0 BDADRP C([NH2+][C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)[C@H]1CCC[NH2+]1 ZINC001246186235 987566301 /nfs/dbraw/zinc/56/63/01/987566301.db2.gz GPUISYGIJRZHJR-MGPQQGTHSA-N 3 0 237.391 1.250 20 0 BDADRP CC(C)C[NH+]1CCC(NC[C@H]2CCC[NH2+]2)CC1 ZINC001246188400 987569759 /nfs/dbraw/zinc/56/97/59/987569759.db2.gz WNCMMCAMVCBHOR-CQSZACIVSA-N 2 0 239.407 1.448 20 0 BDADRP CCOC(=O)C1(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246188512 987573265 /nfs/dbraw/zinc/57/32/65/987573265.db2.gz JVUWMHQPYURJSY-QWRGUYRKSA-N 2 0 240.347 1.060 20 0 BDADRP CC[C@H]1CC(NC[C@@H]2CCC[NH2+]2)C[C@H](CC)[NH2+]1 ZINC001246187713 987574964 /nfs/dbraw/zinc/57/49/64/987574964.db2.gz CYSSONGYVXUSFR-AVGNSLFASA-N 2 0 239.407 1.637 20 0 BDADRP CC(C)C[C@@H](C)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246191971 987575998 /nfs/dbraw/zinc/57/59/98/987575998.db2.gz COENNWPHRCJBEZ-NEPJUHHUSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C2(C3CCOCC3)CC2)CC[NH2+]1 ZINC001246195465 987583195 /nfs/dbraw/zinc/58/31/95/987583195.db2.gz OLYNWTARDKTRMI-DGCLKSJQSA-N 2 0 238.375 1.676 20 0 BDADRP CCCC[C@@H]1C[C@H](NC[C@@H]2CC[NH2+]2)CC[NH2+]1 ZINC001246195573 987588693 /nfs/dbraw/zinc/58/86/93/987588693.db2.gz XYGXEDGDEFFXNI-UPJWGTAASA-N 2 0 225.380 1.249 20 0 BDADRP C([NH2+]C1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CCC[NH2+]C1 ZINC001246195717 987589592 /nfs/dbraw/zinc/58/95/92/987589592.db2.gz BXGORXOGXVYACM-ODWCKFRGSA-N 2 0 224.348 1.286 20 0 BDADRP C[C@@H]1CC[C@H](NCc2cccc(C[NH3+])c2)C[NH2+]1 ZINC001246196617 987590006 /nfs/dbraw/zinc/59/00/06/987590006.db2.gz VEAVEZVUWZJFGR-RISCZKNCSA-N 2 0 233.359 1.375 20 0 BDADRP [NH3+]Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001246196299 987591399 /nfs/dbraw/zinc/59/13/99/987591399.db2.gz SKQAAQHMGQZLOW-YIONKMFJSA-N 3 0 245.370 1.518 20 0 BDADRP C[C@H]1CC[C@H](NCc2cccc(C[NH3+])c2)C[NH2+]1 ZINC001246196616 987591786 /nfs/dbraw/zinc/59/17/86/987591786.db2.gz VEAVEZVUWZJFGR-FZMZJTMJSA-N 2 0 233.359 1.375 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC[C@H]1CCC[NH2+]C1)C2 ZINC001246199579 987595065 /nfs/dbraw/zinc/59/50/65/987595065.db2.gz XIIYOPHLNIKOQY-XDQVBPFNSA-N 2 0 237.391 1.201 20 0 BDADRP C[C@H]1CC[C@@H](n2cc3cc(C[NH3+])ccc3n2)C[NH2+]1 ZINC001246199696 987595600 /nfs/dbraw/zinc/59/56/00/987595600.db2.gz XJRIQYDACDHYHF-GXFFZTMASA-N 2 0 244.342 1.808 20 0 BDADRP C[C@H]1C[C@@H](n2nc(C[NH3+])c3ccccc32)CC[NH2+]1 ZINC001246203520 987599105 /nfs/dbraw/zinc/59/91/05/987599105.db2.gz WSLQGDSMTGBUJK-QWRGUYRKSA-N 2 0 244.342 1.808 20 0 BDADRP COC(=O)CCCCC[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC001246203003 987599551 /nfs/dbraw/zinc/59/95/51/987599551.db2.gz UXAPPCVZCYRNEK-RYUDHWBXSA-N 2 0 242.363 1.450 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CN1 ZINC001246203458 987600435 /nfs/dbraw/zinc/60/04/35/987600435.db2.gz AVMBQERDJZMAAZ-AAVRWANBSA-N 2 0 239.407 1.482 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N[C@@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246206015 987601980 /nfs/dbraw/zinc/60/19/80/987601980.db2.gz WHSSQZNXHROGPA-MQYQWHSLSA-N 2 0 239.407 1.623 20 0 BDADRP C1CC2(C[NH2+]1)CCC([NH2+][C@@H]1CCCNC1)CC2 ZINC001246214354 987609026 /nfs/dbraw/zinc/60/90/26/987609026.db2.gz HKIOZFIKDHVMOY-ROKHWSDSSA-N 2 0 237.391 1.250 20 0 BDADRP CC(C)CC[C@H](C)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246226761 987621484 /nfs/dbraw/zinc/62/14/84/987621484.db2.gz JLFIBUATFGFDHR-STQMWFEESA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC(C)(C)O2)CC[NH2+]1 ZINC001246224677 987623245 /nfs/dbraw/zinc/62/32/45/987623245.db2.gz XZRBSFYNCXHNRI-MXWKQRLJSA-N 2 0 212.337 1.284 20 0 BDADRP C[C@H]1CC[C@@H](NCCOc2cccnc2)C[NH2+]1 ZINC001246229922 987627262 /nfs/dbraw/zinc/62/72/62/987627262.db2.gz LZIBUIUGMUQSAV-NWDGAFQWSA-N 2 0 235.331 1.191 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](O)CC2)CC[NH2+]1 ZINC001246231237 987628085 /nfs/dbraw/zinc/62/80/85/987628085.db2.gz PBWNDLQJLXEMIG-WYUUTHIRSA-N 2 0 212.337 1.020 20 0 BDADRP CC[C@H](C)C[C@@H](C)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246235303 987632557 /nfs/dbraw/zinc/63/25/57/987632557.db2.gz YZYAQHZWIKEAPI-XQQFMLRXSA-N 2 0 239.407 1.495 20 0 BDADRP CCCCC[C@@H](C)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246236357 987635179 /nfs/dbraw/zinc/63/51/79/987635179.db2.gz WNAIGBRYKVUKIV-OLZOCXBDSA-N 2 0 239.407 1.639 20 0 BDADRP C[C@H]1C[C@@H](n2ncc3cccc(C[NH3+])c32)CC[NH2+]1 ZINC001246237080 987635333 /nfs/dbraw/zinc/63/53/33/987635333.db2.gz AIZXBTBRSSGCOM-GWCFXTLKSA-N 2 0 244.342 1.808 20 0 BDADRP O=C(CC[NH2+]C1CC[NH2+]CC1)Nc1ccccc1 ZINC001246240518 987641984 /nfs/dbraw/zinc/64/19/84/987641984.db2.gz PFOSQLXGBDPXHK-UHFFFAOYSA-N 2 0 247.342 1.357 20 0 BDADRP C[C@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](O)C2)CC[NH2+]1 ZINC001246249863 987648033 /nfs/dbraw/zinc/64/80/33/987648033.db2.gz RNXMAAPKBCVGHC-NNYUYHANSA-N 2 0 212.337 1.020 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)C1CC[NH2+]CC1 ZINC001246249771 987648476 /nfs/dbraw/zinc/64/84/76/987648476.db2.gz JWYWPGBWRMTABB-WZRBSPASSA-N 3 0 225.380 1.105 20 0 BDADRP CCCC[C@@H]1C[C@@H](NCC(C)(C)C[NH3+])CC[NH2+]1 ZINC001246253490 987651611 /nfs/dbraw/zinc/65/16/11/987651611.db2.gz YSMLFWQYQSRZGB-OLZOCXBDSA-N 2 0 241.423 1.872 20 0 BDADRP CCCC[C@H]1C[C@H](NCC(C)(C)C[NH3+])CC[NH2+]1 ZINC001246253493 987652480 /nfs/dbraw/zinc/65/24/80/987652480.db2.gz YSMLFWQYQSRZGB-QWHCGFSZSA-N 2 0 241.423 1.872 20 0 BDADRP [NH3+]Cc1ccc2c(n1)N(C1CC[NH2+]CC1)CCC2 ZINC001246261825 987656429 /nfs/dbraw/zinc/65/64/29/987656429.db2.gz MXZLDCUQNMFBNS-UHFFFAOYSA-N 2 0 246.358 1.045 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[Si](C)(C)C)CC[NH2+]1 ZINC001246265527 987660589 /nfs/dbraw/zinc/66/05/89/987660589.db2.gz HULQKPPLNXKXTO-ZJUUUORDSA-N 2 0 200.402 1.594 20 0 BDADRP C[C@@H]1CC[C@@H](NC(C)(C)CC[NH+](C)C)C[NH2+]1 ZINC001246268975 987663575 /nfs/dbraw/zinc/66/35/75/987663575.db2.gz XTHHMKZMVSEXCC-VXGBXAGGSA-N 2 0 227.396 1.447 20 0 BDADRP CCCC[C@@H]1C[C@@H](NCC[NH2+]CCC)CC[NH2+]1 ZINC001246271216 987666083 /nfs/dbraw/zinc/66/60/83/987666083.db2.gz QSKVZWWRHRRSPB-KGLIPLIRSA-N 2 0 241.423 1.886 20 0 BDADRP CCCC[C@H]1C[C@H](NCC[NH2+]CCC)CC[NH2+]1 ZINC001246271217 987666808 /nfs/dbraw/zinc/66/68/08/987666808.db2.gz QSKVZWWRHRRSPB-UONOGXRCSA-N 2 0 241.423 1.886 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCN(C)CC[NH3+])CC(C)(C)C1 ZINC001246283315 987677426 /nfs/dbraw/zinc/67/74/26/987677426.db2.gz HKNLNKIAGCFIST-QWHCGFSZSA-N 2 0 241.423 1.681 20 0 BDADRP CC[C@H]1C[C@@H](NC[C@@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001246290898 987680910 /nfs/dbraw/zinc/68/09/10/987680910.db2.gz ZOBLTYPNMXTAHL-AVGNSLFASA-N 2 0 225.380 1.249 20 0 BDADRP [NH3+][C@H](CN[C@@H]1CCCC[NH2+]C1)c1ccccc1 ZINC001246291862 987685130 /nfs/dbraw/zinc/68/51/30/987685130.db2.gz OPZIMESNTGUJEC-ZIAGYGMSSA-N 2 0 233.359 1.418 20 0 BDADRP CC[C@@H]1CC(N[C@@H](C)CC[NH3+])C[C@@H](CC)[NH2+]1 ZINC001246301679 987698145 /nfs/dbraw/zinc/69/81/45/987698145.db2.gz UVSQUMQTHALNTE-QJPTWQEYSA-N 2 0 227.396 1.623 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)c1ccoc1 ZINC001246307643 987709326 /nfs/dbraw/zinc/70/93/26/987709326.db2.gz ZZQJLYIRIPQVKE-PWSUYJOCSA-N 2 0 235.331 1.024 20 0 BDADRP CCCCOC(=O)CC[C@@H](C)[NH2+]C[C@@H]([NH3+])CC ZINC001246311437 987711233 /nfs/dbraw/zinc/71/12/33/987711233.db2.gz CPRQAROPGZUPTN-NEPJUHHUSA-N 2 0 244.379 1.825 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246310953 987712592 /nfs/dbraw/zinc/71/25/92/987712592.db2.gz AWHUNVMVHMBYFU-XQQFMLRXSA-N 3 0 225.380 1.236 20 0 BDADRP CCCCOC(=O)CC[C@H](C)[NH2+]C[C@H]([NH3+])CC ZINC001246311438 987713753 /nfs/dbraw/zinc/71/37/53/987713753.db2.gz CPRQAROPGZUPTN-NWDGAFQWSA-N 2 0 244.379 1.825 20 0 BDADRP CC[C@@H]([NH3+])CN[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246314010 987715389 /nfs/dbraw/zinc/71/53/89/987715389.db2.gz MIPQUODUAAPLFQ-OLZOCXBDSA-N 2 0 239.407 1.768 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@H](C)Cc1ccccn1 ZINC001246312725 987716480 /nfs/dbraw/zinc/71/64/80/987716480.db2.gz HIZCFZFGURWTLU-GHMZBOCLSA-N 2 0 207.321 1.340 20 0 BDADRP [NH3+]C[C@@H]1CN([C@H]2CCC[NH2+]C2)c2ccccc21 ZINC001246322353 987728104 /nfs/dbraw/zinc/72/81/04/987728104.db2.gz HGZQPOBBENKDCY-NEPJUHHUSA-N 2 0 231.343 1.301 20 0 BDADRP C[NH2+]Cc1cccc(CN[C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC001246321213 987728562 /nfs/dbraw/zinc/72/85/62/987728562.db2.gz AVFXKHQPHXEISD-DOMZBBRYSA-N 2 0 247.386 1.636 20 0 BDADRP CCCc1cc(C[NH3+])nn1[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246324683 987732710 /nfs/dbraw/zinc/73/27/10/987732710.db2.gz ZFSYOJJBWHHEHW-GWCFXTLKSA-N 2 0 236.363 1.607 20 0 BDADRP C[C@@H]1CC[C@H](Nc2ccc(C[NH3+])nc2)C[NH2+]1 ZINC001246328501 987734717 /nfs/dbraw/zinc/73/47/17/987734717.db2.gz YIPBYUJYJJZBNO-KOLCDFICSA-N 2 0 220.320 1.093 20 0 BDADRP C[C@H]1C[C@H](Nc2cccnc2C[NH3+])CC[NH2+]1 ZINC001246328521 987736191 /nfs/dbraw/zinc/73/61/91/987736191.db2.gz YQZHLRFOKZSCBV-VHSXEESVSA-N 2 0 220.320 1.093 20 0 BDADRP C[C@@H]1CC[C@@H](N[C@H]2C[NH2+]CCC2(C)C)C[NH2+]1 ZINC001246334023 987741632 /nfs/dbraw/zinc/74/16/32/987741632.db2.gz WTEUTYYPAHUHKC-UTUOFQBUSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCN2CCC(F)(F)C2)CC[NH2+]1 ZINC001246339053 987748226 /nfs/dbraw/zinc/74/82/26/987748226.db2.gz BUXHZFMNNCCGQA-GHMZBOCLSA-N 2 0 247.333 1.058 20 0 BDADRP [NH3+][C@@]12CC[C@@](NC3CC[NH2+]CC3)(C1)CCC2 ZINC001246341012 987750149 /nfs/dbraw/zinc/75/01/49/987750149.db2.gz NGHKVLYVGJKSDU-QWHCGFSZSA-N 2 0 223.364 1.132 20 0 BDADRP CC(C)(C)[C@H](C[NH3+])N[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246344895 987752306 /nfs/dbraw/zinc/75/23/06/987752306.db2.gz KNHQTAXDGAIUMC-QWRGUYRKSA-N 2 0 227.396 1.480 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCO[C@H]2CCCCO2)CC[NH2+]1 ZINC001246342467 987752354 /nfs/dbraw/zinc/75/23/54/987752354.db2.gz AEQADIIRWFAVOI-AGIUHOORSA-N 2 0 242.363 1.260 20 0 BDADRP [NH3+][C@@]12CC[C@@](NC3C[C@@H]4C=C[C@H](C3)[NH2+]4)(C1)CCC2 ZINC001246342819 987753177 /nfs/dbraw/zinc/75/31/77/987753177.db2.gz VDTQIWIXWGNJJE-FIBILERRSA-N 2 0 247.386 1.439 20 0 BDADRP C[C@H]1CC[C@@H](N[C@@H](C[NH3+])C(C)(C)C)C[NH2+]1 ZINC001246344967 987753466 /nfs/dbraw/zinc/75/34/66/987753466.db2.gz LRCUMTBLINHGEZ-AXFHLTTASA-N 2 0 213.369 1.090 20 0 BDADRP CCCCN(C)C[C@@H](C)[NH2+][C@@H]1CCCN(C)C1 ZINC001474556493 987758511 /nfs/dbraw/zinc/75/85/11/987758511.db2.gz BIEPSNLTEMWSIB-ZIAGYGMSSA-N 2 0 241.423 1.791 20 0 BDADRP c1ccc2c(c1)CC[C@@H](CN[C@@H]1CC[NH2+]C1)N2 ZINC001246353462 987759232 /nfs/dbraw/zinc/75/92/32/987759232.db2.gz RNXGEDYOGKTDHT-OLZOCXBDSA-N 2 0 231.343 1.365 20 0 BDADRP c1ccc2c(c1)CC[C@H](CN[C@H]1CC[NH2+]C1)N2 ZINC001246353464 987761037 /nfs/dbraw/zinc/76/10/37/987761037.db2.gz RNXGEDYOGKTDHT-QWHCGFSZSA-N 2 0 231.343 1.365 20 0 BDADRP CC[C@H]1CC(NC2(C[NH3+])CCC2)C[C@H](CC)[NH2+]1 ZINC001246358006 987767501 /nfs/dbraw/zinc/76/75/01/987767501.db2.gz XYFNFJXOBFBDLM-RYUDHWBXSA-N 2 0 239.407 1.767 20 0 BDADRP C[C@@H]1C[C@H](n2c(C[NH3+])cc3ccncc32)CC[NH2+]1 ZINC001246364734 987773567 /nfs/dbraw/zinc/77/35/67/987773567.db2.gz UBIDYNWWFAWFMC-ZYHUDNBSSA-N 2 0 244.342 1.808 20 0 BDADRP C[C@@H]1C[C@@H](N[C@@H]2CC[NH2+]CC2(C)C)CC[NH2+]1 ZINC001246372332 987775700 /nfs/dbraw/zinc/77/57/00/987775700.db2.gz LEALCWMYOKZECJ-GRYCIOLGSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C(C)(C)C(C)(C)O)CC[NH2+]1 ZINC001246391292 987778110 /nfs/dbraw/zinc/77/81/10/987778110.db2.gz SAMQUXQPLPPWJO-UWVGGRQHSA-N 2 0 214.353 1.266 20 0 BDADRP [NH3+]CCNCC[NH2+]C1CCCCCCC1 ZINC001246407124 987782354 /nfs/dbraw/zinc/78/23/54/987782354.db2.gz WMUWNNQPYAPXFM-UHFFFAOYSA-N 2 0 213.369 1.237 20 0 BDADRP CCCCCC[C@@H](C)[NH2+]CCNCC[NH3+] ZINC001246402831 987784455 /nfs/dbraw/zinc/78/44/55/987784455.db2.gz BPTOBNGQRKVFAU-GFCCVEGCSA-N 2 0 215.385 1.483 20 0 BDADRP CCCCCC[C@@H](CC)[NH2+]CCNCC[NH3+] ZINC001246406812 987788639 /nfs/dbraw/zinc/78/86/39/987788639.db2.gz UZAUSNLQCROMAW-CYBMUJFWSA-N 2 0 229.412 1.873 20 0 BDADRP CCC1(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)CC[NH2+]CC1 ZINC001246420163 987793526 /nfs/dbraw/zinc/79/35/26/987793526.db2.gz FQMRAZIGXGRGEM-QWHCGFSZSA-N 3 0 239.407 1.496 20 0 BDADRP Clc1cccc2c1C[C@H]([NH2+][C@@H]1CC13C[NH2+]C3)C2 ZINC001246442580 987799773 /nfs/dbraw/zinc/79/97/73/987799773.db2.gz DEPINBXTPXQFQA-ZWNOBZJWSA-N 2 0 248.757 1.759 20 0 BDADRP c1cncc(CC2(C[NH2+]C3CC[NH2+]CC3)CC2)c1 ZINC001246433455 987800393 /nfs/dbraw/zinc/80/03/93/987800393.db2.gz KKPJIRGGORGYRU-UHFFFAOYSA-N 2 0 245.370 1.746 20 0 BDADRP C1[C@H](N[C@@H]2CC[NH2+]C3(CCCCC3)C2)C12C[NH2+]C2 ZINC001246441840 987800817 /nfs/dbraw/zinc/80/08/17/987800817.db2.gz AFOBXXUCJREQLO-OLZOCXBDSA-N 2 0 249.402 1.393 20 0 BDADRP CC1(C)[C@@H]2C[C@@H]([NH2+][C@@H]3CC34C[NH2+]C4)C[C@@H]21 ZINC001246445505 987802577 /nfs/dbraw/zinc/80/25/77/987802577.db2.gz OTJHOJDTJHGIGB-CHWFTXMASA-N 2 0 206.333 1.373 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC23C[NH2+]C3)C[C@@H]1C ZINC001246446706 987806883 /nfs/dbraw/zinc/80/68/83/987806883.db2.gz TUYFHIMKKZHERY-NOOOWODRSA-N 2 0 208.349 1.763 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CCCNCCC[NH3+])C1 ZINC001246453835 987809042 /nfs/dbraw/zinc/80/90/42/987809042.db2.gz PYVRYOSAMDOOMH-VXGBXAGGSA-N 2 0 213.369 1.093 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC001246452878 987809955 /nfs/dbraw/zinc/80/99/55/987809955.db2.gz YBUIGDWUQATLNL-RFQIPJPRSA-N 3 0 239.407 1.482 20 0 BDADRP CC[C@@]1(CN[C@H]2CC[C@@H](C)[NH2+]C2)CCC[NH2+]1 ZINC001246458139 987816107 /nfs/dbraw/zinc/81/61/07/987816107.db2.gz WSIMJLVOPMNEQE-AGIUHOORSA-N 2 0 225.380 1.249 20 0 BDADRP CCCC[C@H]1C[C@H](N[C@H]2C[C@H]([NH2+]C)C2)CC[NH2+]1 ZINC001246464269 987823762 /nfs/dbraw/zinc/82/37/62/987823762.db2.gz YXKLNAGWAAYGQZ-CRWXNKLISA-N 3 0 239.407 1.637 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCc2cccc(N)c2)CC[NH2+]1 ZINC001246465786 987825512 /nfs/dbraw/zinc/82/55/12/987825512.db2.gz LWKRNMVQCRFXIS-BXUZGUMPSA-N 2 0 233.359 1.541 20 0 BDADRP c1cc(C[NH2+]C2CC[NH2+]CC2)cc2c1NCC2 ZINC001246472677 987828704 /nfs/dbraw/zinc/82/87/04/987828704.db2.gz IDKMHTYEVVTIGA-UHFFFAOYSA-N 2 0 231.343 1.496 20 0 BDADRP c1ccc2c(c1)NC[C@H]2CN[C@@H]1CCC[NH2+]C1 ZINC001246475594 987830583 /nfs/dbraw/zinc/83/05/83/987830583.db2.gz UZHBGTMDGOHLPD-VXGBXAGGSA-N 2 0 231.343 1.537 20 0 BDADRP CC(C)[C@H]1C[C@H](N[C@H]2CCCC[C@H]2[NH3+])CC[NH2+]1 ZINC001246478036 987833661 /nfs/dbraw/zinc/83/36/61/987833661.db2.gz MOKKEHHXEVMFMS-YIYPIFLZSA-N 2 0 239.407 1.623 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2[NH3+])C1 ZINC001246479920 987836853 /nfs/dbraw/zinc/83/68/53/987836853.db2.gz WHHVMMDULLOLCW-LOWDOPEQSA-N 2 0 226.364 1.804 20 0 BDADRP C[C@@H]1C[C@@H](N[C@H]2CCCC[C@H]2[NH3+])C[C@H](C)[NH2+]1 ZINC001246479412 987838494 /nfs/dbraw/zinc/83/84/94/987838494.db2.gz UZJFYSJIMCXFFD-MLGHIDQZSA-N 2 0 225.380 1.375 20 0 BDADRP C[C@H]1CC[C@H]([NH2+]C2CC3(C2)CCC[NH2+]C3)CN1 ZINC001246490519 987845390 /nfs/dbraw/zinc/84/53/90/987845390.db2.gz DCHPTFMRKFPNJC-FEPKRQSRSA-N 2 0 237.391 1.249 20 0 BDADRP CCCC(C[NH3+])(CCC)N[C@H]1C[NH2+][C@H](C)C1 ZINC001246497243 987851440 /nfs/dbraw/zinc/85/14/40/987851440.db2.gz QEANXSGPAXNQRM-VXGBXAGGSA-N 2 0 227.396 1.624 20 0 BDADRP CC[C@@H]1C[C@@H](N[C@H]2C[C@@H]([NH2+]C)C2)C[C@H](CC)[NH2+]1 ZINC001246498132 987852455 /nfs/dbraw/zinc/85/24/55/987852455.db2.gz UEYJACIKKFGOKB-KYGRNUTJSA-N 2 0 239.407 1.636 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCOc2ccncc2)CC[NH2+]1 ZINC001246502867 987857239 /nfs/dbraw/zinc/85/72/39/987857239.db2.gz GMOKJRHPQDQONO-NWDGAFQWSA-N 2 0 235.331 1.191 20 0 BDADRP O=C(CCC[NH2+]C1CC[NH2+]CC1)c1cccnc1 ZINC001246506433 987859445 /nfs/dbraw/zinc/85/94/45/987859445.db2.gz ZVTNBBIUJPDGRH-UHFFFAOYSA-N 2 0 247.342 1.386 20 0 BDADRP CO[C@H]1CC[C@@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246513110 987861306 /nfs/dbraw/zinc/86/13/06/987861306.db2.gz GHLXCWWKQWSZAE-LPWJVIDDSA-N 2 0 226.364 1.674 20 0 BDADRP CC[C@H]1C[C@@H](N[C@H](C[NH3+])c2ccccc2)CC[NH2+]1 ZINC001246507341 987862090 /nfs/dbraw/zinc/86/20/90/987862090.db2.gz NQOFNBQCJHKAGR-SOUVJXGZSA-N 2 0 247.386 1.807 20 0 BDADRP CCCC[C@H]1C[C@@H](NCC2([NH3+])CCC2)CC[NH2+]1 ZINC001246509433 987862928 /nfs/dbraw/zinc/86/29/28/987862928.db2.gz HVCJNKMYLCBDFB-STQMWFEESA-N 2 0 239.407 1.768 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](N[C@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC001246511493 987863005 /nfs/dbraw/zinc/86/30/05/987863005.db2.gz BWEMTUNHMZKQRN-RDBSUJKOSA-N 2 0 239.407 1.447 20 0 BDADRP C[C@]1([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCOC1 ZINC001246508804 987863740 /nfs/dbraw/zinc/86/37/40/987863740.db2.gz DUJBCWINJWYRMF-HNGCFSAESA-N 2 0 224.348 1.428 20 0 BDADRP CC[C@H]1CC(N2CC([NH2+]C)C2)C[C@H](CC)[NH2+]1 ZINC001246523520 987874694 /nfs/dbraw/zinc/87/46/94/987874694.db2.gz NDDIUAPPOKXABP-QWRGUYRKSA-N 2 0 225.380 1.199 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001246527715 987884124 /nfs/dbraw/zinc/88/41/24/987884124.db2.gz VTTOZKMOCVMUSN-UPJWGTAASA-N 2 0 245.386 1.478 20 0 BDADRP CC(C)[C@H]1C[C@@H](N2C[C@@H]([NH3+])C3(CC3)C2)CC[NH2+]1 ZINC001246532271 987888820 /nfs/dbraw/zinc/88/88/20/987888820.db2.gz HKVHDZNXDCXKOD-YNEHKIRRSA-N 2 0 237.391 1.186 20 0 BDADRP CCCC[C@@H]1C[C@@H](N2CCC[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246533451 987889339 /nfs/dbraw/zinc/88/93/39/987889339.db2.gz CZJZWBORHDHWIM-MJBXVCDLSA-N 2 0 239.407 1.720 20 0 BDADRP CC(C)(C)[C@H]1C[C@H](N2CCC[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246533744 987891886 /nfs/dbraw/zinc/89/18/86/987891886.db2.gz GNLXKUBYNRBXKC-YNEHKIRRSA-N 2 0 239.407 1.576 20 0 BDADRP CC[C@@H]1C[C@@H](N2CCC[C@@](C)([NH3+])C2)CC[NH2+]1 ZINC001246538651 987899797 /nfs/dbraw/zinc/89/97/97/987899797.db2.gz IKZRVUGSTVSMNC-FRRDWIJNSA-N 2 0 225.380 1.330 20 0 BDADRP CC1(C)C[C@@H]([N@@H+]2CCC[C@@H]([NH3+])CC2)CO1 ZINC001246539716 987905075 /nfs/dbraw/zinc/90/50/75/987905075.db2.gz IGGGQYQFZCQIIV-GHMZBOCLSA-N 2 0 212.337 1.367 20 0 BDADRP C[C@@H]1CCC[C@H]([N@@H+]2CCC[C@@](O)(C[NH3+])CC2)C1 ZINC001246541979 987914625 /nfs/dbraw/zinc/91/46/25/987914625.db2.gz HZPQOBKWTRFACI-RDBSUJKOSA-N 2 0 240.391 1.741 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCN1[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246544229 987921835 /nfs/dbraw/zinc/92/18/35/987921835.db2.gz PNYNXBCAHZMXFB-GRYCIOLGSA-N 2 0 223.364 1.083 20 0 BDADRP C[NH2+]C[C@@H]1CCCN([C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246551952 987949959 /nfs/dbraw/zinc/94/99/59/987949959.db2.gz SSYCWFCMIGGAKC-AVGNSLFASA-N 2 0 225.380 1.058 20 0 BDADRP CC[C@H](CC(C)C)[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246561597 987998579 /nfs/dbraw/zinc/99/85/79/987998579.db2.gz QSZVVNPBENBVHW-ZIAGYGMSSA-N 2 0 242.407 1.987 20 0 BDADRP CCN1CC[C@H]([N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC001246561748 987999053 /nfs/dbraw/zinc/99/90/53/987999053.db2.gz LAXDLWAUHFLTLI-RDBSUJKOSA-N 2 0 239.407 1.387 20 0 BDADRP C[C@H]1C[C@H]([N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)CCO1 ZINC001246563271 988001881 /nfs/dbraw/zinc/00/18/81/988001881.db2.gz PTRAUMDBKGXJLQ-XJFOESAGSA-N 2 0 240.391 1.861 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC001118121685 988020969 /nfs/dbraw/zinc/02/09/69/988020969.db2.gz HFQMSFZTGZKPPH-TUAOUCFPSA-N 2 0 214.353 1.389 20 0 BDADRP C[C@H]1C[C@@H]([N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)CC[NH2+]1 ZINC001246563928 988012965 /nfs/dbraw/zinc/01/29/65/988012965.db2.gz YHIVVAFXSXOVBQ-RFGFWPKPSA-N 3 0 239.407 1.434 20 0 BDADRP C[C@@H]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[C@@H]1[NH3+] ZINC001246564986 988017813 /nfs/dbraw/zinc/01/78/13/988017813.db2.gz ODBSGRHLHMEPGD-RGDJUOJXSA-N 2 0 237.391 1.329 20 0 BDADRP C[NH2+]C[C@H](C)CN[C@H](C)c1cc(C)nn1C ZINC001118122261 988027152 /nfs/dbraw/zinc/02/71/52/988027152.db2.gz SGUIYHVGOHUGJN-GXSJLCMTSA-N 2 0 224.352 1.235 20 0 BDADRP CCN1CC[C@H]([N@@H+]2CCC[C@](C)(C[NH3+])CC2)C1 ZINC001246576492 988077648 /nfs/dbraw/zinc/07/76/48/988077648.db2.gz KLJWXMRZYGHWPW-KBPBESRZSA-N 2 0 239.407 1.532 20 0 BDADRP C[C@@H]1C[C@@H](N2CCC[C@](C)(C[NH3+])CC2)C[NH2+]1 ZINC001246576686 988080051 /nfs/dbraw/zinc/08/00/51/988080051.db2.gz MKXTXEJYIFMPEW-UPJWGTAASA-N 2 0 225.380 1.188 20 0 BDADRP CC(C)[C@H]1C[C@H](N2CC[NH2+][C@H](C)C2)CC[NH2+]1 ZINC001246578567 988091221 /nfs/dbraw/zinc/09/12/21/988091221.db2.gz VUIVHSXSDLLATI-JHJVBQTASA-N 2 0 225.380 1.057 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@](C)(CO)CC2)CC[NH2+]1 ZINC001246577448 988092532 /nfs/dbraw/zinc/09/25/32/988092532.db2.gz RKTVYEAFRJDHGH-MGPQQGTHSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@](C)(CO)CC2)CC[NH2+]1 ZINC001246577445 988093343 /nfs/dbraw/zinc/09/33/43/988093343.db2.gz RKTVYEAFRJDHGH-HZSPNIEDSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@]1(F)CCCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001246579107 988102222 /nfs/dbraw/zinc/10/22/22/988102222.db2.gz YAFHKZICYXIAMY-LBPRGKRZSA-N 2 0 214.328 1.953 20 0 BDADRP CC[C@@H]1C[C@H](N2CC[C@@H]([NH3+])[C@H](F)CC2)CC[NH2+]1 ZINC001246578938 988104509 /nfs/dbraw/zinc/10/45/09/988104509.db2.gz CQFWDPZQIUAPOK-FDYHWXHSSA-N 2 0 243.370 1.278 20 0 BDADRP CCOCC[C@@H](C)[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246581993 988115252 /nfs/dbraw/zinc/11/52/52/988115252.db2.gz LYSFVZJDJXJBQH-OLZOCXBDSA-N 2 0 228.380 1.862 20 0 BDADRP C[NH2+]CC[C@H](C)N1CCCC[C@H](C[NH3+])C1 ZINC001246582940 988128549 /nfs/dbraw/zinc/12/85/49/988128549.db2.gz PILGMMDKILXTTP-NWDGAFQWSA-N 2 0 213.369 1.045 20 0 BDADRP CC[NH+]1CCC(N2C[C@@H]([NH3+])CC(F)(F)C2)CC1 ZINC001246589039 988153587 /nfs/dbraw/zinc/15/35/87/988153587.db2.gz QXZDNFIWFVSYSO-JTQLQIEISA-N 2 0 247.333 1.139 20 0 BDADRP CCCCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246588768 988158516 /nfs/dbraw/zinc/15/85/16/988158516.db2.gz XQTIKJSSXCLNDE-GRYCIOLGSA-N 2 0 214.353 1.207 20 0 BDADRP C[C@@H]1C[C@H](N2C[C@@H](C[NH3+])CC[C@H]2C)CC[NH2+]1 ZINC001246590258 988165941 /nfs/dbraw/zinc/16/59/41/988165941.db2.gz RZEMEXWOQOHHFO-FDYHWXHSSA-N 2 0 225.380 1.186 20 0 BDADRP c1ccc([C@H]2C[NH2+]CCN2[C@H]2CCC[NH2+]C2)cc1 ZINC001246590124 988167849 /nfs/dbraw/zinc/16/78/49/988167849.db2.gz ATDFXUIBBLCAOM-LSDHHAIUSA-N 2 0 245.370 1.385 20 0 BDADRP C[C@@H]1CC[N@@H+]([C@@H]2CC[NH2+][C@@H](C)C2)C[C@@]1(C)O ZINC001246593041 988177424 /nfs/dbraw/zinc/17/74/24/988177424.db2.gz RJPDQIQJFHSFCG-YVECIDJPSA-N 2 0 226.364 1.220 20 0 BDADRP CCC1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246592142 988180824 /nfs/dbraw/zinc/18/08/24/988180824.db2.gz YARGMKWLFKEIOJ-ZDUSSCGKSA-N 2 0 237.391 1.202 20 0 BDADRP CC[C@@H]1C[C@@H](N2CCC23C[NH2+]C3)C[C@H](CC)[NH2+]1 ZINC001246602893 988214063 /nfs/dbraw/zinc/21/40/63/988214063.db2.gz DMBAOUNRRMWEMG-CLLJXQQHSA-N 2 0 237.391 1.343 20 0 BDADRP CC(C)[C@H]1C[C@@H](N2CC(C)(C[NH3+])C2)CC[NH2+]1 ZINC001246603569 988217056 /nfs/dbraw/zinc/21/70/56/988217056.db2.gz ZZHHUJOAYNZZJI-NWDGAFQWSA-N 2 0 225.380 1.044 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@]3(CCCO3)C2)CC[NH2+]1 ZINC001246606557 988229877 /nfs/dbraw/zinc/22/98/77/988229877.db2.gz NBLXUWXPZWFEPT-AGIUHOORSA-N 2 0 224.348 1.382 20 0 BDADRP C1C[N@H+](C2CC[NH2+]CC2)[C@@]2(C1)CCC[NH2+]CC2 ZINC001246609555 988232487 /nfs/dbraw/zinc/23/24/87/988232487.db2.gz ZMXKGTMXCTXOPJ-CQSZACIVSA-N 3 0 237.391 1.347 20 0 BDADRP CC(C)(C)[C@@H]1C[C@H](N2CC3(C[NH2+]C3)C2)CC[NH2+]1 ZINC001246614066 988237783 /nfs/dbraw/zinc/23/77/83/988237783.db2.gz NDRVKYBYPSKKPD-NEPJUHHUSA-N 2 0 237.391 1.058 20 0 BDADRP C[C@@H]1C[C@H](N2CCC[C@@]3(CCCC[NH2+]3)C2)C[NH2+]1 ZINC001246611654 988245175 /nfs/dbraw/zinc/24/51/75/988245175.db2.gz GUHBFVRRPVYEIQ-RDBSUJKOSA-N 2 0 237.391 1.345 20 0 BDADRP C1[NH2+]CC12CN(C1CCC3(CCC[NH2+]C3)CC1)C2 ZINC001246616100 988254284 /nfs/dbraw/zinc/25/42/84/988254284.db2.gz YBAXIRALJVICNF-UHFFFAOYSA-N 2 0 249.402 1.204 20 0 BDADRP C[NH2+]CC[C@@H](C)N1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246617175 988256424 /nfs/dbraw/zinc/25/64/24/988256424.db2.gz YHJAUKPUZRGLKN-KGLIPLIRSA-N 2 0 239.407 1.593 20 0 BDADRP C1CC12CNCC[N@@H+]2[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246621299 988264563 /nfs/dbraw/zinc/26/45/63/988264563.db2.gz CIUNJOBBHTTWQZ-KBPBESRZSA-N 2 0 249.402 1.347 20 0 BDADRP C1CC12CNCC[N@@H+]2[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246621301 988269847 /nfs/dbraw/zinc/26/98/47/988269847.db2.gz CIUNJOBBHTTWQZ-UONOGXRCSA-N 2 0 249.402 1.347 20 0 BDADRP C[C@@H]1CC[C@@H]([N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)C[NH2+]1 ZINC001246628055 988291317 /nfs/dbraw/zinc/29/13/17/988291317.db2.gz LZAUMBYYKQTIII-YIYPIFLZSA-N 3 0 237.391 1.058 20 0 BDADRP CC1(C)[C@@H]2C[C@@H]([N@@H+]3CC[C@@H]4[NH2+]CC[C@H]43)C[C@@H]21 ZINC001246633224 988321080 /nfs/dbraw/zinc/32/10/80/988321080.db2.gz KTVRAWSLSRYGJP-IEECTRCBSA-N 2 0 220.360 1.857 20 0 BDADRP CCOCC[C@@H](C)N1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246636968 988326485 /nfs/dbraw/zinc/32/64/85/988326485.db2.gz HPUQIRXEFLFDBK-IJLUTSLNSA-N 2 0 212.337 1.238 20 0 BDADRP FC1(F)C[C@@H]2C[N@@H+]([C@H]3CCC[NH2+]C3)C[C@@H]21 ZINC001246636315 988327015 /nfs/dbraw/zinc/32/70/15/988327015.db2.gz URMXXJTUELIUSV-UTLUCORTSA-N 2 0 216.275 1.325 20 0 BDADRP C1CC2(C1)C[C@H](N1CC[C@@H]3[NH2+]CC[C@H]31)CC[NH2+]2 ZINC001246640405 988338499 /nfs/dbraw/zinc/33/84/99/988338499.db2.gz GJAHNKLNLNVEDL-FRRDWIJNSA-N 2 0 235.375 1.097 20 0 BDADRP C[C@@H]1CC[C@H](N2CCC3(C2)CC[NH2+]CC3)C[NH2+]1 ZINC001246639032 988340731 /nfs/dbraw/zinc/34/07/31/988340731.db2.gz MXVUVTOTOOKDLZ-OLZOCXBDSA-N 2 0 237.391 1.202 20 0 BDADRP CC1(C)CC[C@@H]([N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246642720 988350627 /nfs/dbraw/zinc/35/06/27/988350627.db2.gz NELSKEBUPXFJOK-TZMCWYRMSA-N 2 0 237.391 1.202 20 0 BDADRP CC(C)CC[C@H](C)[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246642971 988355171 /nfs/dbraw/zinc/35/51/71/988355171.db2.gz NQUBCXVLGLEJDH-UONOGXRCSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCCC3(COC3)C2)CC[NH2+]1 ZINC001246645515 988365498 /nfs/dbraw/zinc/36/54/98/988365498.db2.gz BYHCNMRWUGTRTL-NEPJUHHUSA-N 2 0 224.348 1.239 20 0 BDADRP C1CO[C@H]2C[N@@H+](C3CC[NH2+]CC3)CC[C@@H]2C1 ZINC001246648421 988368177 /nfs/dbraw/zinc/36/81/77/988368177.db2.gz PQRBAFVRLFXJNK-AAEUAGOBSA-N 2 0 224.348 1.239 20 0 BDADRP C[C@H]1C[C@@H]([N@@H+]2CCCC23CC[NH2+]CC3)CC[NH2+]1 ZINC001246649984 988372768 /nfs/dbraw/zinc/37/27/68/988372768.db2.gz ALKNEEBHRNCOHC-STQMWFEESA-N 3 0 237.391 1.345 20 0 BDADRP CCCC[C@H]1C[C@H]([N@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)CC[NH2+]1 ZINC001246656140 988387588 /nfs/dbraw/zinc/38/75/88/988387588.db2.gz IVDFXZKWGJUXKH-MEBFFEOJSA-N 3 0 237.391 1.186 20 0 BDADRP [NH3+][C@@]12C[C@@H]1CCN([C@@H]1CC[NH2+]C3(CCC3)C1)C2 ZINC001246660190 988389964 /nfs/dbraw/zinc/38/99/64/988389964.db2.gz SEOSMBXBNHPBLU-OUCADQQQSA-N 2 0 235.375 1.084 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2CCC[C@H]3[NH2+]C[C@@H]32)CC[NH2+]1 ZINC001246662889 988396913 /nfs/dbraw/zinc/39/69/13/988396913.db2.gz OBZADNCWWNLAMI-MQYQWHSLSA-N 2 0 237.391 1.199 20 0 BDADRP CC[C@@H]1C[C@@H](N2CC[NH2+][C@H]3C[C@H]32)C[C@H](CC)[NH2+]1 ZINC001246666602 988411282 /nfs/dbraw/zinc/41/12/82/988411282.db2.gz WKXBQFZZCGOEKY-ZUWCUPBKSA-N 2 0 237.391 1.342 20 0 BDADRP CC[C@@H]1CC(N2C[C@@H]3C[C@H]2C[NH2+]3)C[C@@H](CC)[NH2+]1 ZINC001246676670 988419997 /nfs/dbraw/zinc/41/99/97/988419997.db2.gz KBYOQRBELCMKCO-NMKXLXIOSA-N 2 0 237.391 1.342 20 0 BDADRP CCCC[C@@H]1C[C@@H](N2C[C@@H]3C[C@H]2C[NH2+]3)CC[NH2+]1 ZINC001246675282 988420085 /nfs/dbraw/zinc/42/00/85/988420085.db2.gz FGCMHDHUGQGTMO-RFGFWPKPSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@H]1CNCC[N@@H+]1[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246675859 988420803 /nfs/dbraw/zinc/42/08/03/988420803.db2.gz YOIXEGOZXJYYTJ-IHRRRGAJSA-N 2 0 237.391 1.202 20 0 BDADRP CC(C)(C)[C@@H]1C[C@@H](N2C[C@@H]3C[C@H]2C[NH2+]3)CC[NH2+]1 ZINC001246675241 988421748 /nfs/dbraw/zinc/42/17/48/988421748.db2.gz DZBYWKQKDBOWMD-CYDGBPFRSA-N 2 0 237.391 1.199 20 0 BDADRP C[C@@H]1C[C@H]([N@H+](C)CC2CC[NH2+]CC2)CC[NH2+]1 ZINC001246677219 988422468 /nfs/dbraw/zinc/42/24/68/988422468.db2.gz HBDADJAJJBAHOK-DGCLKSJQSA-N 3 0 225.380 1.058 20 0 BDADRP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246687609 988435146 /nfs/dbraw/zinc/43/51/46/988435146.db2.gz AWJJZOAAYKLIJU-RVMXOQNASA-N 2 0 225.380 1.151 20 0 BDADRP CC[C@H]1C[C@@H](N2C[C@H](C)[NH2+]C[C@H]2C)CC[NH2+]1 ZINC001246690959 988436170 /nfs/dbraw/zinc/43/61/70/988436170.db2.gz ONAMAWVCFWITQD-RNJOBUHISA-N 2 0 225.380 1.199 20 0 BDADRP C[C@@H]1C[NH2+][C@@H](C)CN1[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246690429 988438421 /nfs/dbraw/zinc/43/84/21/988438421.db2.gz NCHZXKFTKYGNMT-TUAOUCFPSA-N 2 0 225.380 1.199 20 0 BDADRP C(C1CC1)[N@@H+]1CCC2(CN([C@H]3CCC[NH2+]C3)C2)C1 ZINC001246722536 988448892 /nfs/dbraw/zinc/44/88/92/988448892.db2.gz QWDADMSSLRAAGT-AWEZNQCLSA-N 2 0 249.402 1.156 20 0 BDADRP CO[C@@H]1CCC[C@@H]2C[N@@H+]([C@H]3CCC[NH2+]C3)C[C@@H]21 ZINC001246761735 988455042 /nfs/dbraw/zinc/45/50/42/988455042.db2.gz WJFVIIRJRJLRKT-ZOBORPQBSA-N 2 0 238.375 1.485 20 0 BDADRP c1ccc([C@H]2CCC[N@@H+]2C2CC[NH2+]CC2)nc1 ZINC001246790903 988469943 /nfs/dbraw/zinc/46/99/43/988469943.db2.gz OKYRHUFJVDGRIX-CQSZACIVSA-N 2 0 231.343 1.971 20 0 BDADRP C[C@H]1C[C@@H]([N@H+](C)CCC2CC[NH2+]CC2)CC[NH2+]1 ZINC001246793775 988473033 /nfs/dbraw/zinc/47/30/33/988473033.db2.gz DMPHEEIGHIPEKT-JSGCOSHPSA-N 3 0 239.407 1.448 20 0 BDADRP CC[C@H]1CN([C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC001246802170 988483575 /nfs/dbraw/zinc/48/35/75/988483575.db2.gz JUDWSMJNMBBGTB-IGQOVBAYSA-N 2 0 237.391 1.343 20 0 BDADRP CCCC[C@@H]1C[C@H](N(C)[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC001246803939 988486259 /nfs/dbraw/zinc/48/62/59/988486259.db2.gz NYBPJJFTCGWWHE-MCIONIFRSA-N 2 0 239.407 1.591 20 0 BDADRP CC1(C)C[NH2+]CCN1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246809269 988490769 /nfs/dbraw/zinc/49/07/69/988490769.db2.gz GOASRPUGHAIKHA-CLLJXQQHSA-N 2 0 237.391 1.343 20 0 BDADRP C([C@H]1CCCN1C1CC[NH2+]CC1)[NH+]1CCCC1 ZINC001246808430 988491638 /nfs/dbraw/zinc/49/16/38/988491638.db2.gz XEGIDSWSWYIAJR-CQSZACIVSA-N 2 0 237.391 1.299 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N2CC[NH2+]CC2(C)C)CC[NH2+]1 ZINC001246809990 988491935 /nfs/dbraw/zinc/49/19/35/988491935.db2.gz LHPGKERPJTXYDZ-STQMWFEESA-N 2 0 239.407 1.447 20 0 BDADRP CCCC[C@H]1C[C@H](N2CC[C@@H]([NH2+]C)C2)CC[NH2+]1 ZINC001246813464 988498312 /nfs/dbraw/zinc/49/83/12/988498312.db2.gz LZOGCIHJYMJFTQ-BFHYXJOUSA-N 2 0 239.407 1.591 20 0 BDADRP CC[C@@H]1C[C@H](N2C[C@@H]([NH3+])CC[C@H]2C)CC[NH2+]1 ZINC001246820348 988510209 /nfs/dbraw/zinc/51/02/09/988510209.db2.gz IZDIDYVNVNETPU-YVECIDJPSA-N 2 0 225.380 1.329 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2C[C@H]([NH3+])CC[C@H]2C)CC[NH2+]1 ZINC001246822788 988510721 /nfs/dbraw/zinc/51/07/21/988510721.db2.gz MASZKNNWBFBHPT-SYQHCUMBSA-N 2 0 239.407 1.575 20 0 BDADRP CC(C)CC[C@@H](C)N(CC[NH3+])CC[NH3+] ZINC001246830075 988523978 /nfs/dbraw/zinc/52/39/78/988523978.db2.gz IJXOUXYQXHTEHP-LLVKDONJSA-N 2 0 201.358 1.031 20 0 BDADRP CCCC[C@H]1C[C@@H](N(C)[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC001246833224 988527719 /nfs/dbraw/zinc/52/77/19/988527719.db2.gz NYBPJJFTCGWWHE-MELADBBJSA-N 2 0 239.407 1.591 20 0 BDADRP C[NH2+]Cc1c(C)nn([C@H]2CC[NH2+][C@@H](C)C2)c1C ZINC001246843166 988546047 /nfs/dbraw/zinc/54/60/47/988546047.db2.gz BGSAXCQBIBQDON-CABZTGNLSA-N 2 0 236.363 1.532 20 0 BDADRP CC[C@H]1C[C@H](N2CC[NH2+]C[C@@H]2CC)CC[NH2+]1 ZINC001246857643 988588991 /nfs/dbraw/zinc/58/89/91/988588991.db2.gz RMTUOPIAHQTXKH-RWMBFGLXSA-N 2 0 225.380 1.201 20 0 BDADRP CC(C)[NH+]1CCC(N2C[C@@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001246859300 988590716 /nfs/dbraw/zinc/59/07/16/988590716.db2.gz JKIAMDVISFTESC-GXTWGEPZSA-N 2 0 237.391 1.282 20 0 BDADRP C[C@@H](CC1CC1)[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246858864 988591941 /nfs/dbraw/zinc/59/19/41/988591941.db2.gz IWGIPQLVOBDQAD-KYTZWMPUSA-N 2 0 224.348 1.081 20 0 BDADRP CC(C)[C@H]1C[C@@H](N2C[C@H](C)C[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246861454 988603135 /nfs/dbraw/zinc/60/31/35/988603135.db2.gz JQPGXKYUZHJABB-ZOBORPQBSA-N 2 0 239.407 1.432 20 0 BDADRP [NH3+][C@]12C[C@H]1CN([C@H]1CCC[N@@H+](C3CCCC3)C1)C2 ZINC001246867909 988626004 /nfs/dbraw/zinc/62/60/04/988626004.db2.gz IPRVTRSEILOHHP-QEJZJMRPSA-N 2 0 249.402 1.426 20 0 BDADRP COC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246875352 988640869 /nfs/dbraw/zinc/64/08/69/988640869.db2.gz KLUZLRDMMBAJES-UKIXVXPJSA-N 2 0 238.375 1.769 20 0 BDADRP C[NH2+]C1CCC([N@H+]2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC001246882444 988650618 /nfs/dbraw/zinc/65/06/18/988650618.db2.gz QPNHYKJBXIKDKN-AKJUYKBHSA-N 2 0 237.391 1.343 20 0 BDADRP CC[C@@H]1C[C@H](N(CC)CC[NH3+])C[C@H](CC)[NH2+]1 ZINC001246891195 988652980 /nfs/dbraw/zinc/65/29/80/988652980.db2.gz KWNHEYXOFCFEDX-ITGUQSILSA-N 2 0 227.396 1.576 20 0 BDADRP CCCC[C@@H]1C[C@@H](N(CC)CC[NH3+])CC[NH2+]1 ZINC001246889136 988654090 /nfs/dbraw/zinc/65/40/90/988654090.db2.gz CVIBDOBJDKPBJI-OLZOCXBDSA-N 2 0 227.396 1.578 20 0 BDADRP CC[C@@H]1CC(N(CC)CC[NH3+])C[C@@H](CC)[NH2+]1 ZINC001246891197 988656923 /nfs/dbraw/zinc/65/69/23/988656923.db2.gz KWNHEYXOFCFEDX-VXGBXAGGSA-N 2 0 227.396 1.576 20 0 BDADRP Fc1ccc([C@@H]2C[NH2+]CCN2[C@H]2CC[NH2+]C2)cc1 ZINC001246886444 988657056 /nfs/dbraw/zinc/65/70/56/988657056.db2.gz LCFFFLICZBKVDZ-KBPBESRZSA-N 2 0 249.333 1.134 20 0 BDADRP CCCC[C@@H]1C[C@H]([N@H+](C)CCCC[NH3+])CC[NH2+]1 ZINC001246890657 988659564 /nfs/dbraw/zinc/65/95/64/988659564.db2.gz KOJBIFPXMJDURB-ZIAGYGMSSA-N 3 0 241.423 1.968 20 0 BDADRP C[NH2+]C1CCC(N(C)C[C@@H]2CCC[NH2+]2)CC1 ZINC001246890461 988659614 /nfs/dbraw/zinc/65/96/14/988659614.db2.gz VSZKHCLWCJMGED-CPCZMJQVSA-N 2 0 225.380 1.201 20 0 BDADRP CCN(CC[NH3+])[C@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246893038 988663347 /nfs/dbraw/zinc/66/33/47/988663347.db2.gz QTINWOJKFWNBKA-RYUDHWBXSA-N 2 0 213.369 1.044 20 0 BDADRP CCCN([C@@H]1C[NH2+][C@H](C)C1)C1CC[NH2+]CC1 ZINC001246893984 988663653 /nfs/dbraw/zinc/66/36/53/988663653.db2.gz MHHHIHVATDPFBH-YPMHNXCESA-N 2 0 225.380 1.201 20 0 BDADRP CCN(CC[NH2+]C)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246893956 988664760 /nfs/dbraw/zinc/66/47/60/988664760.db2.gz YILGDTGCVBUSRB-QWHCGFSZSA-N 2 0 241.423 1.694 20 0 BDADRP CCCN(C1CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC001246897449 988668506 /nfs/dbraw/zinc/66/85/06/988668506.db2.gz KIGSHGMDAWTOCU-ZDUSSCGKSA-N 2 0 225.380 1.202 20 0 BDADRP CC(=O)[C@@H]1CC[N@@H+]([C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246896226 988668885 /nfs/dbraw/zinc/66/88/85/988668885.db2.gz VWTYNNFRRCFKBC-WCQGTBRESA-N 2 0 210.321 1.038 20 0 BDADRP CCCN(C1CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC001246897448 988670233 /nfs/dbraw/zinc/67/02/33/988670233.db2.gz KIGSHGMDAWTOCU-CYBMUJFWSA-N 2 0 225.380 1.202 20 0 BDADRP C[NH2+]CC[C@H](C)N1CCC[C@H]([NH2+]C2CC2)C1 ZINC001246905669 988679135 /nfs/dbraw/zinc/67/91/35/988679135.db2.gz FBULHFSGDCYIMV-AAEUAGOBSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@H]1C[C@H](N(C2CC2)[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246915055 988706093 /nfs/dbraw/zinc/70/60/93/988706093.db2.gz KDQSDJFHTCQQCG-IACUBPJLSA-N 2 0 237.391 1.343 20 0 BDADRP CCC[C@@H]1C[NH2+]CCN1[C@@H]1CC[NH2+][C@H](CC)C1 ZINC001246917351 988720636 /nfs/dbraw/zinc/72/06/36/988720636.db2.gz FTRXRUPTYLKSRM-MGPQQGTHSA-N 2 0 239.407 1.591 20 0 BDADRP CN([C@@H]1CC[NH2+]C(C)(C)C1)[C@H]1CCCC[C@H]1[NH3+] ZINC001246919451 988724760 /nfs/dbraw/zinc/72/47/60/988724760.db2.gz MSVJDFGZNFAXCH-UPJWGTAASA-N 2 0 239.407 1.719 20 0 BDADRP C[C@H]1C[C@H]([N@@H+]2C[C@@H]3C[NH2+]C[C@H]32)C[C@@H](C)C1 ZINC001246923700 988741079 /nfs/dbraw/zinc/74/10/79/988741079.db2.gz YWJLTHPTNRDZIU-OBPIAQAESA-N 2 0 208.349 1.715 20 0 BDADRP CC(C)(C)[C@@H]1C[C@H](N2C[C@@H]3C[NH2+]C[C@@H]32)CC[NH2+]1 ZINC001246923746 988743121 /nfs/dbraw/zinc/74/31/21/988743121.db2.gz ZEOYXBKFPNCBGE-RNJOBUHISA-N 2 0 237.391 1.057 20 0 BDADRP C[C@H]1C[C@H]([N@@H+]2C[C@H]3C[NH2+]C[C@H]32)C[C@@H](C)C1 ZINC001246923703 988743377 /nfs/dbraw/zinc/74/33/77/988743377.db2.gz YWJLTHPTNRDZIU-RXGFPQBGSA-N 2 0 208.349 1.715 20 0 BDADRP C1CCC([N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)C1 ZINC001246931005 988757420 /nfs/dbraw/zinc/75/74/20/988757420.db2.gz LYPBNSRBKAWHCX-TXEJJXNPSA-N 2 0 208.349 1.860 20 0 BDADRP CCCC[C@@H]1CN([C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246932853 988759258 /nfs/dbraw/zinc/75/92/58/988759258.db2.gz SDPXENSOVNXAMQ-OLZOCXBDSA-N 2 0 225.380 1.202 20 0 BDADRP CCCC[C@@H]1CN([C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246932852 988764687 /nfs/dbraw/zinc/76/46/87/988764687.db2.gz SDPXENSOVNXAMQ-CHWSQXEVSA-N 2 0 225.380 1.202 20 0 BDADRP CCCN([C@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]CC1 ZINC001246940701 988775491 /nfs/dbraw/zinc/77/54/91/988775491.db2.gz JWJZCFCCLYGDFL-OLZOCXBDSA-N 2 0 225.380 1.202 20 0 BDADRP CCCN(CCC[NH+](C)C)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246945114 988780395 /nfs/dbraw/zinc/78/03/95/988780395.db2.gz ZKDBQABQNRGXNY-KBPBESRZSA-N 2 0 241.423 1.791 20 0 BDADRP CC[C@@H]1C[C@H](N2C[C@@H](C)[NH2+][C@H](C)C2)CC[NH2+]1 ZINC001246968646 988800137 /nfs/dbraw/zinc/80/01/37/988800137.db2.gz MXBUCWZZUNDURY-FDYHWXHSSA-N 2 0 225.380 1.199 20 0 BDADRP C[NH2+]CC[C@H](C)N(C(C)C)[C@@H]1CC[NH2+]C1 ZINC001246968932 988801528 /nfs/dbraw/zinc/80/15/28/988801528.db2.gz ROACMVTXLCKILF-NWDGAFQWSA-N 2 0 213.369 1.057 20 0 BDADRP CC[C@H]([NH3+])CN(C)[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246974266 988803311 /nfs/dbraw/zinc/80/33/11/988803311.db2.gz NQFJDFFENPTIGZ-WDEREUQCSA-N 2 0 213.369 1.186 20 0 BDADRP CC[C@H](N)C[N@H+](C)C1CCC2(C[NH2+]C2)CC1 ZINC001246973975 988803950 /nfs/dbraw/zinc/80/39/50/988803950.db2.gz MBHYWTKCXBSXPR-NSHDSACASA-N 2 0 225.380 1.188 20 0 BDADRP CC[C@H]([NH3+])CN(C)[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246974265 988804565 /nfs/dbraw/zinc/80/45/65/988804565.db2.gz NQFJDFFENPTIGZ-QWRGUYRKSA-N 2 0 213.369 1.186 20 0 BDADRP C[C@@H]1C[C@@H](N(C[C@@H]2CCC[NH2+]C2)C2CC2)C[NH2+]1 ZINC001246976248 988806403 /nfs/dbraw/zinc/80/64/03/988806403.db2.gz VUSXFIAJHXXHTA-YRGRVCCFSA-N 2 0 237.391 1.201 20 0 BDADRP CC[C@@H]1C[C@H](N(C)C[C@H](C)[NH3+])C[C@H](CC)[NH2+]1 ZINC001246979519 988811820 /nfs/dbraw/zinc/81/18/20/988811820.db2.gz BZVJDBKUTBZUQV-WUHRBBMRSA-N 2 0 227.396 1.575 20 0 BDADRP C[C@H](N)C[N@H+](C)[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246980383 988812269 /nfs/dbraw/zinc/81/22/69/988812269.db2.gz HZVVTRYCKOYADC-AVGNSLFASA-N 2 0 225.380 1.188 20 0 BDADRP C[C@H](N)C[N@H+](C)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246981867 988812547 /nfs/dbraw/zinc/81/25/47/988812547.db2.gz SLGXQYXLXASCPL-NWDGAFQWSA-N 2 0 225.380 1.188 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](C)C[C@H](C)N ZINC001246982457 988813943 /nfs/dbraw/zinc/81/39/43/988813943.db2.gz VMQPIFSUDSJREX-QWHCGFSZSA-N 2 0 229.412 1.776 20 0 BDADRP CC[C@@H](C)C[C@@H](CC)[N@H+]1C[C@@H](OC)[C@@H](N)C1 ZINC001246983872 988817503 /nfs/dbraw/zinc/81/75/03/988817503.db2.gz VRDZNKDTYNZCHY-FVCCEPFGSA-N 2 0 228.380 1.859 20 0 BDADRP C[NH2+]CC[C@H](C)N(C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001246989039 988818518 /nfs/dbraw/zinc/81/85/18/988818518.db2.gz RTNVTFBTHULVBZ-GXTWGEPZSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H]1C[C@@H](N2CC[NH2+]C3=CCCC[C@@H]32)C[C@H](C)[NH2+]1 ZINC001246991376 988825410 /nfs/dbraw/zinc/82/54/10/988825410.db2.gz ANGIPIQPWGXBFU-XFMPKHEZSA-N 2 0 249.402 1.857 20 0 BDADRP C1=C2[NH2+]CCN(C3CC[NH2+]CC3)[C@H]2CCC1 ZINC001246993382 988826540 /nfs/dbraw/zinc/82/65/40/988826540.db2.gz GWYJOGLJGMRUHK-ZDUSSCGKSA-N 2 0 221.348 1.080 20 0 BDADRP CC[N@@H+]1CCN([C@H]2CC[NH2+][C@H](C)C2)C(C)(C)C1 ZINC001246994571 988827363 /nfs/dbraw/zinc/82/73/63/988827363.db2.gz PVWKATVHCKEKMK-OLZOCXBDSA-N 2 0 239.407 1.543 20 0 BDADRP CC[N@@H+]1CCN([C@@H]2CCC[NH2+]C2)C(C)(C)C1 ZINC001246995256 988827980 /nfs/dbraw/zinc/82/79/80/988827980.db2.gz SNSVGWPSNXLGAU-GFCCVEGCSA-N 2 0 225.380 1.155 20 0 BDADRP CC(C)O[C@@H]1CC[N@@H+]([C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246995215 988829312 /nfs/dbraw/zinc/82/93/12/988829312.db2.gz RXAVVATYAOYZHH-RWMBFGLXSA-N 2 0 226.364 1.626 20 0 BDADRP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@H+]2C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001247001763 988831854 /nfs/dbraw/zinc/83/18/54/988831854.db2.gz LACDUOHBPXEZPO-BHOIJHMLSA-N 3 0 249.402 1.471 20 0 BDADRP C1C[C@H]2CC(N3CC[C@H]4[NH2+]CCC[C@@H]4C3)C[C@@H]1[NH2+]2 ZINC001247016972 988844342 /nfs/dbraw/zinc/84/43/42/988844342.db2.gz ZLQNYRLSQZGNNV-MQAAVTGUSA-N 2 0 249.402 1.343 20 0 BDADRP C[C@@H]1C[C@H](N2CC[C@@H]3[NH2+]CCC[C@H]3C2)CC[NH2+]1 ZINC001247016372 988844402 /nfs/dbraw/zinc/84/44/02/988844402.db2.gz ULQSAIQAEUANAC-RQJABVFESA-N 2 0 237.391 1.201 20 0 BDADRP [NH3+]Cc1nc2ccccc2n1CC1CC[NH2+]CC1 ZINC001247020594 988844788 /nfs/dbraw/zinc/84/47/88/988844788.db2.gz GNYVINRQWKLGSZ-UHFFFAOYSA-N 2 0 244.342 1.495 20 0 BDADRP C[N@H+](CCNc1nccnc1C[NH3+])C1CCCC1 ZINC001515445630 989049672 /nfs/dbraw/zinc/04/96/72/989049672.db2.gz VIVWOUYAWFURAH-UHFFFAOYSA-N 2 0 249.362 1.222 20 0 BDADRP C[C@H](CC[NH2+][C@@H](C)Cn1cccn1)[NH+](C)C ZINC001119449510 989083988 /nfs/dbraw/zinc/08/39/88/989083988.db2.gz ACBYUAUFVINFAA-NWDGAFQWSA-N 2 0 224.352 1.201 20 0 BDADRP C[C@@H]([NH2+]Cc1ccc2c(c1)CCC2)C1C[NH2+]C1 ZINC001325743403 989248181 /nfs/dbraw/zinc/24/81/81/989248181.db2.gz MPGQRRKEKXGOMO-LLVKDONJSA-N 2 0 230.355 1.873 20 0 BDADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(=O)[nH]n1 ZINC001325887680 989299144 /nfs/dbraw/zinc/29/91/44/989299144.db2.gz IOJIYAFHHDOWJN-SNVBAGLBSA-N 2 0 248.330 1.095 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)C(C)(C)CO)C1 ZINC001119688506 989334562 /nfs/dbraw/zinc/33/45/62/989334562.db2.gz HLSMUQIBWOPCFZ-CHWSQXEVSA-N 2 0 242.407 1.715 20 0 BDADRP CC[C@@H](CO)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC001119852922 989445662 /nfs/dbraw/zinc/44/56/62/989445662.db2.gz YSHZNXNWPYSSCS-RYUDHWBXSA-N 2 0 214.353 1.173 20 0 BDADRP CCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH3+] ZINC001326688032 989652733 /nfs/dbraw/zinc/65/27/33/989652733.db2.gz MZZSKYQQHYKABO-RYUDHWBXSA-N 2 0 241.379 1.104 20 0 BDADRP C[NH2+]CCN(C(=O)C[C@@H]([NH3+])C(C)(C)C)C(C)C ZINC001522791871 989876718 /nfs/dbraw/zinc/87/67/18/989876718.db2.gz QGZIZDBZSQTLMB-LLVKDONJSA-N 2 0 243.395 1.206 20 0 BDADRP CC[NH2+][C@H](C)C(=O)Nc1ccccc1C[NH3+] ZINC001523616500 989943013 /nfs/dbraw/zinc/94/30/13/989943013.db2.gz AZUPPSMYXWSAEH-SECBINFHSA-N 2 0 221.304 1.082 20 0 BDADRP C[NH2+]CCCCC(=O)N[C@H](C)CCCC[NH3+] ZINC001121939418 990145660 /nfs/dbraw/zinc/14/56/60/990145660.db2.gz IYNZROMQNZNMNP-LLVKDONJSA-N 2 0 229.368 1.010 20 0 BDADRP CC1(C)CN(C(=O)CCCCCC[NH3+])C[C@@H]1[NH3+] ZINC001122168975 990274588 /nfs/dbraw/zinc/27/45/88/990274588.db2.gz SPABNCQBTHFYDY-NSHDSACASA-N 2 0 241.379 1.091 20 0 BDADRP CC(C)(C[NH3+])CC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC001122179725 990279071 /nfs/dbraw/zinc/27/90/71/990279071.db2.gz XZNRMCRRTNGAEU-LLVKDONJSA-N 2 0 241.379 1.091 20 0 BDADRP [NH3+]Cc1ccccc1NC(=O)C[C@@H]1CCC[NH2+]1 ZINC001122346540 990352729 /nfs/dbraw/zinc/35/27/29/990352729.db2.gz VIIKQHHFRMMBSK-NSHDSACASA-N 2 0 233.315 1.226 20 0 BDADRP [NH3+]Cc1ccccc1NC(=O)CC[NH2+]CC1CC1 ZINC001122434073 990388021 /nfs/dbraw/zinc/38/80/21/990388021.db2.gz ZTLGLHXHYLQXJM-UHFFFAOYSA-N 2 0 247.342 1.474 20 0 BDADRP CC(C)=CCC[C@H](C)[NH2+]CCOCC[NH3+] ZINC001258076832 990975264 /nfs/dbraw/zinc/97/52/64/990975264.db2.gz QZYHDVPSTAWJRG-LBPRGKRZSA-N 2 0 214.353 1.686 20 0 BDADRP CC(C)=CCC[C@H](C)[NH2+]C[C@@H](O)C[NH3+] ZINC001258079930 990979133 /nfs/dbraw/zinc/97/91/33/990979133.db2.gz VXFZTPGNDFOOOW-QWRGUYRKSA-N 2 0 200.326 1.031 20 0 BDADRP CCOC(=O)CCC[C@H](C)N1CCC[C@@H]([NH3+])C1 ZINC001258105960 991017155 /nfs/dbraw/zinc/01/71/55/991017155.db2.gz VFOBLPUGDMYOLU-NWDGAFQWSA-N 2 0 242.363 1.531 20 0 BDADRP CCOC(=O)CCC[C@H](C)[N@H+](C)C[C@@H](C)C[NH3+] ZINC001258113460 991021990 /nfs/dbraw/zinc/02/19/90/991021990.db2.gz WCUIQJNZOGPIHO-RYUDHWBXSA-N 2 0 244.379 1.635 20 0 BDADRP C[C@H]1CC(NC(=[NH2+])NCCCC[NH3+])C[C@H](C)C1 ZINC001258151012 991032116 /nfs/dbraw/zinc/03/21/16/991032116.db2.gz GKNYZIKPKXVAHT-GHMZBOCLSA-N 2 0 240.395 1.664 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H]2CC[C@@H](OC)C2)CC1 ZINC001308691436 991097868 /nfs/dbraw/zinc/09/78/68/991097868.db2.gz TVTKSACPOJFOCN-ZIAGYGMSSA-N 2 0 240.391 1.875 20 0 BDADRP CC[NH+]1CCC(C[N@H+](C)CCCO)CC1 ZINC001308715608 991109171 /nfs/dbraw/zinc/10/91/71/991109171.db2.gz ZREZOQPAGDVDFD-UHFFFAOYSA-N 2 0 214.353 1.033 20 0 BDADRP CC[N@@H+]1CCC[C@H](N[C@@H](C)C[NH+](C)C(C)C)C1 ZINC001308803357 991140731 /nfs/dbraw/zinc/14/07/31/991140731.db2.gz WEJRBJFMDGLDKB-KBPBESRZSA-N 2 0 241.423 1.789 20 0 BDADRP CC1(C)CCC[C@H]([NH2+]CCOCC[NH3+])C1 ZINC001258276662 991202215 /nfs/dbraw/zinc/20/22/15/991202215.db2.gz SEHFOGGSGVYRSN-NSHDSACASA-N 2 0 214.353 1.520 20 0 BDADRP CC(C)OC[C@@H](C)[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001308983622 991250827 /nfs/dbraw/zinc/25/08/27/991250827.db2.gz GHEIQXQJHIXDCO-XJFOESAGSA-N 2 0 240.391 1.730 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H](C)COC(C)=O ZINC001308987713 991253849 /nfs/dbraw/zinc/25/38/49/991253849.db2.gz MDUAPUDSKDZFCF-VXGBXAGGSA-N 2 0 244.379 1.648 20 0 BDADRP COC(=O)CC[C@@H](C)[NH2+][C@H]1CCN(C(C)C)C1 ZINC001258351861 991283324 /nfs/dbraw/zinc/28/33/24/991283324.db2.gz YMPQXYIFNCASJD-NEPJUHHUSA-N 2 0 242.363 1.400 20 0 BDADRP CC[NH+]1C[C@H]2C[NH+](CC3(CC)COC3)C[C@@H]2C1 ZINC001202963898 991338912 /nfs/dbraw/zinc/33/89/12/991338912.db2.gz COLBEAQJIZVJEL-STQMWFEESA-N 2 0 238.375 1.297 20 0 BDADRP CCOC(=O)CC[C@H](C)[NH2+]CCCC[NH3+] ZINC001258476674 991451639 /nfs/dbraw/zinc/45/16/39/991451639.db2.gz UNDOJNFKRAMDEV-JTQLQIEISA-N 2 0 216.325 1.047 20 0 BDADRP CC(C)[N@H+](Cc1ccnnc1)C1CCN(C)CC1 ZINC001139986380 991464268 /nfs/dbraw/zinc/46/42/68/991464268.db2.gz IFZXDGCAAGNZIC-UHFFFAOYSA-N 2 0 248.374 1.781 20 0 BDADRP CCCC1CCC([NH2+]C[C@H](O)C[NH3+])CC1 ZINC001258527581 991474025 /nfs/dbraw/zinc/47/40/25/991474025.db2.gz JEZVVRNWTTYZMR-HTAVTVPLSA-N 2 0 214.353 1.255 20 0 BDADRP C[C@H](Cc1cccnc1)[NH2+]C[C@@H](C)C[NH3+] ZINC001258615420 991540755 /nfs/dbraw/zinc/54/07/55/991540755.db2.gz IDHKWBDFMNXZQD-WDEREUQCSA-N 2 0 207.321 1.197 20 0 BDADRP C[C@H](Cc1cccnc1)[NH+]1CCC(C)([NH3+])CC1 ZINC001258618639 991544713 /nfs/dbraw/zinc/54/47/13/991544713.db2.gz ZKUFGGSKZCKVFO-GFCCVEGCSA-N 2 0 233.359 1.826 20 0 BDADRP CCNc1ccccc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC001560679640 991549566 /nfs/dbraw/zinc/54/95/66/991549566.db2.gz TYEJEOMETHPTTK-ZIAGYGMSSA-N 2 0 245.370 1.770 20 0 BDADRP CC1(C)C[C@H]([NH2+]C[C@@H]2C[NH+]3CCC2CC3)CO1 ZINC001561034669 991693700 /nfs/dbraw/zinc/69/37/00/991693700.db2.gz YVLKVADBZWRDFF-OLZOCXBDSA-N 2 0 238.375 1.485 20 0 BDADRP CCC[NH+]1CCC([NH2+]CCc2ncccn2)CC1 ZINC001258768545 991733931 /nfs/dbraw/zinc/73/39/31/991733931.db2.gz QHBXISIVDGAMQI-UHFFFAOYSA-N 2 0 248.374 1.483 20 0 BDADRP CCC[NH+]1CCC([N@H+](C)[C@@H]2CCOC2)CC1 ZINC001258775319 991736975 /nfs/dbraw/zinc/73/69/75/991736975.db2.gz KCNCLJCZKJWHPX-CYBMUJFWSA-N 2 0 226.364 1.582 20 0 BDADRP CCC[NH+]1CCC([N@@H+]2CC[C@@H](COC)C2)CC1 ZINC001258772722 991739721 /nfs/dbraw/zinc/73/97/21/991739721.db2.gz XTQATMCKYLURFV-CYBMUJFWSA-N 2 0 240.391 1.829 20 0 BDADRP CCC[NH+]1CCC([N@@H+]2CC[C@H](O)[C@H](C)C2)CC1 ZINC001258772552 991741951 /nfs/dbraw/zinc/74/19/51/991741951.db2.gz SPQACOFPGACSSK-OCCSQVGLSA-N 2 0 240.391 1.564 20 0 BDADRP CCC[NH+]1CCC(N(C)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001258775196 991741991 /nfs/dbraw/zinc/74/19/91/991741991.db2.gz DUGINDOSHPGXJY-CQSZACIVSA-N 2 0 239.407 1.497 20 0 BDADRP CCC[NH+]1CCC([N@@H+]2CC[C@@H](OCC)C2)CC1 ZINC001258777552 991745641 /nfs/dbraw/zinc/74/56/41/991745641.db2.gz XWSFXJWOMIUYAN-CQSZACIVSA-N 2 0 240.391 1.972 20 0 BDADRP C[C@H]1CCC[C@H]([NH2+]CCOCC[NH3+])C1 ZINC001258808313 991811059 /nfs/dbraw/zinc/81/10/59/991811059.db2.gz OXXSGGVAOCGXNF-QWRGUYRKSA-N 2 0 200.326 1.130 20 0 BDADRP CC(C)[N@H+](C)CCCNC(=O)CCC[NH+](C)C ZINC001566486938 991857267 /nfs/dbraw/zinc/85/72/67/991857267.db2.gz MULSGOJRLHJAQA-UHFFFAOYSA-N 2 0 243.395 1.175 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C1CC(O)C1 ZINC001258898509 991891536 /nfs/dbraw/zinc/89/15/36/991891536.db2.gz ZTNQFPGUKVJUEV-HIFPTAJRSA-N 2 0 228.380 1.610 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+]CCOCC[NH3+] ZINC001258899165 991891606 /nfs/dbraw/zinc/89/16/06/991891606.db2.gz GXJBSFFCLCCXIN-ZDUSSCGKSA-N 3 0 245.411 1.062 20 0 BDADRP CC[C@@H](CO)[NH2+][C@H](C)CCC[NH+](CC)CC ZINC001258895399 991892421 /nfs/dbraw/zinc/89/24/21/991892421.db2.gz BASPEUWJEPLZFB-OLZOCXBDSA-N 2 0 230.396 1.857 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)N(C)OCC[NH3+] ZINC001258901860 991893882 /nfs/dbraw/zinc/89/38/82/991893882.db2.gz OJNWGADVONLCFQ-GFCCVEGCSA-N 2 0 231.384 1.319 20 0 BDADRP CC[NH2+]C[C@H](C)N(C)C(=O)CCCC[NH+](C)C ZINC001319563678 991894572 /nfs/dbraw/zinc/89/45/72/991894572.db2.gz WCBSGQAPCWFWHE-LBPRGKRZSA-N 2 0 243.395 1.175 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1CN(C)C1 ZINC001258899646 991895003 /nfs/dbraw/zinc/89/50/03/991895003.db2.gz OIPWZCCYTHMWST-GFCCVEGCSA-N 2 0 227.396 1.401 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]CC(=O)CCO ZINC001258900854 991895693 /nfs/dbraw/zinc/89/56/93/991895693.db2.gz DLAUAQNKXVCEOE-GFCCVEGCSA-N 2 0 244.379 1.038 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CC(C)(O)C1 ZINC001258907123 991895723 /nfs/dbraw/zinc/89/57/23/991895723.db2.gz FYWBPCWWLYXTRM-LBPRGKRZSA-N 2 0 228.380 1.564 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C(C)(C)CN ZINC001258898753 991896876 /nfs/dbraw/zinc/89/68/76/991896876.db2.gz RLNKQXZWDXPJOU-LBPRGKRZSA-N 2 0 229.412 1.824 20 0 BDADRP CC(C)[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001567025547 991913073 /nfs/dbraw/zinc/91/30/73/991913073.db2.gz YKKKTHLMUFBQEL-NEPJUHHUSA-N 2 0 243.395 1.075 20 0 BDADRP C[NH2+]CCC(=O)Nc1ccc(-n2ccnc2)cc1 ZINC000357190186 991973182 /nfs/dbraw/zinc/97/31/82/991973182.db2.gz PLCVAYAXDFLVJU-UHFFFAOYSA-N 2 0 244.298 1.420 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+]C1CCSCC1 ZINC001261422653 992297361 /nfs/dbraw/zinc/29/73/61/992297361.db2.gz BXWNVPSDUWERID-SECBINFHSA-N 2 0 202.367 1.470 20 0 BDADRP CC[N@@H+]1CCC[C@@H](CNC(=[NH2+])N(C)C2CC2)C1 ZINC001261566400 992386622 /nfs/dbraw/zinc/38/66/22/992386622.db2.gz FSZQXTALRBVCLZ-NSHDSACASA-N 2 0 238.379 1.337 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)C1C[NH2+]C1 ZINC001261661187 992452791 /nfs/dbraw/zinc/45/27/91/992452791.db2.gz ITPMXZXLICVWCD-CDEVMZEPSA-N 2 0 230.302 1.618 20 0 BDADRP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH+](C)C(C)C ZINC001570746562 992517195 /nfs/dbraw/zinc/51/71/95/992517195.db2.gz XQBUNMPSRYRRQS-GFCCVEGCSA-N 2 0 243.395 1.173 20 0 BDADRP CC[N@H+](CCC[NH+](C)C)CC1(OC)CCC1 ZINC001262010450 992595614 /nfs/dbraw/zinc/59/56/14/992595614.db2.gz FQUHZUKKSVPHKO-UHFFFAOYSA-N 2 0 228.380 1.829 20 0 BDADRP CC(C)c1[nH+]c(CNCC[NH3+])c2ccccn21 ZINC001573533440 992628652 /nfs/dbraw/zinc/62/86/52/992628652.db2.gz PZRDCOQGMZQPNS-UHFFFAOYSA-N 2 0 232.331 1.506 20 0 BDADRP CC[C@](C)(O)C[NH+]1CCC([C@@H]2C[C@H]2[NH3+])CC1 ZINC001573673961 992672219 /nfs/dbraw/zinc/67/22/19/992672219.db2.gz QNAFFOHHSWVHGN-XQQFMLRXSA-N 2 0 226.364 1.207 20 0 BDADRP C[NH+](C)[C@H]1CCCC[C@H]1Nc1cc[nH+]c(CO)c1 ZINC001262354094 992855623 /nfs/dbraw/zinc/85/56/23/992855623.db2.gz YJQUSVTVLPYRQQ-KGLIPLIRSA-N 2 0 249.358 1.859 20 0 BDADRP C1=C(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)CCC1 ZINC001574774042 992901751 /nfs/dbraw/zinc/90/17/51/992901751.db2.gz IRMWBWSUZPYGSN-OLZOCXBDSA-N 2 0 206.333 1.638 20 0 BDADRP C([C@@H]1CCCC[NH2+]C1)N(C1CC1)C1COC1 ZINC001574794261 992905566 /nfs/dbraw/zinc/90/55/66/992905566.db2.gz CFYMYNDPCYPURI-LLVKDONJSA-N 2 0 224.348 1.239 20 0 BDADRP C1C([NH2+][C@@H]2C[C@@H]3CC[C@H]2O3)CC12CC[NH2+]CC2 ZINC001574795954 992911161 /nfs/dbraw/zinc/91/11/61/992911161.db2.gz QYUPKBKIVVADFX-YNEHKIRRSA-N 2 0 236.359 1.428 20 0 BDADRP C([NH2+][C@@H]1C[C@@H]2CCC[C@H]12)[C@H]1C[NH2+]CCCO1 ZINC001574801070 992914851 /nfs/dbraw/zinc/91/48/51/992914851.db2.gz NBVIHPHLCCYPEG-QNWHQSFQSA-N 2 0 224.348 1.143 20 0 BDADRP C(N[C@H]1CCC[NH2+]CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001574801502 992914953 /nfs/dbraw/zinc/91/49/53/992914953.db2.gz QMYANWCGVQZENL-KGLIPLIRSA-N 2 0 237.391 1.060 20 0 BDADRP C([NH2+][C@@H]1CCC[C@]12CCCO2)C1CC[NH2+]CC1 ZINC001574816323 992916774 /nfs/dbraw/zinc/91/67/74/992916774.db2.gz CVLOPUZYNWKNNN-KGLIPLIRSA-N 2 0 238.375 1.677 20 0 BDADRP C([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)[C@@H]1CCSC1 ZINC001574816734 992918772 /nfs/dbraw/zinc/91/87/72/992918772.db2.gz LIEZIKDYLVAGQQ-YNEHKIRRSA-N 2 0 240.416 1.861 20 0 BDADRP CC(=O)OC1CC[NH+](C[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC001575029822 992967969 /nfs/dbraw/zinc/96/79/69/992967969.db2.gz QOEWXWMOMLARIW-NWDGAFQWSA-N 2 0 240.347 1.141 20 0 BDADRP C[C@H](C(=O)Nc1ccc2c[nH+]cn2c1)C1C[NH2+]C1 ZINC001575082401 992986967 /nfs/dbraw/zinc/98/69/67/992986967.db2.gz NVAKMMQCQGEQFS-VIFPVBQESA-N 2 0 244.298 1.128 20 0 BDADRP CC(C)(C)[NH2+]CCC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC001575140101 992996617 /nfs/dbraw/zinc/99/66/17/992996617.db2.gz DPBFJJSAIQXGJH-GHMZBOCLSA-N 2 0 241.379 1.151 20 0 BDADRP CC(C)(C)N1CC[C@H]1C[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001575141721 992997357 /nfs/dbraw/zinc/99/73/57/992997357.db2.gz YKTKEMSOIZHIBA-MRFPXMQZSA-N 2 0 237.391 1.329 20 0 BDADRP CC(C)(C)OC(=O)CC[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC001575161147 993001443 /nfs/dbraw/zinc/00/14/43/993001443.db2.gz WINLFMHETPAMLF-UWVGGRQHSA-N 2 0 242.363 1.434 20 0 BDADRP CC1(C)CN(CCNc2cc[nH+]cc2)CCO1 ZINC001262671577 993013632 /nfs/dbraw/zinc/01/36/32/993013632.db2.gz KNPMWBLXYKGXCU-UHFFFAOYSA-N 2 0 235.331 1.026 20 0 BDADRP CC(C)(C[NH2+]C1CC2(C[C@@H]2[NH3+])C1)c1ccccn1 ZINC001575334355 993014310 /nfs/dbraw/zinc/01/43/10/993014310.db2.gz JWMIFIIFXJSVEZ-AVERBVTBSA-N 2 0 245.370 1.829 20 0 BDADRP CC(C)([NH3+])C[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC001575357918 993025421 /nfs/dbraw/zinc/02/54/21/993025421.db2.gz HZQZDXTWUBLSLC-PREPNJAASA-N 2 0 224.348 1.127 20 0 BDADRP CC(C)(O)C[N@H+](C[C@H]1CC[C@@H]([NH3+])C1)C1CC1 ZINC001575380344 993031290 /nfs/dbraw/zinc/03/12/90/993031290.db2.gz UMXSVAFXPNUIHP-WDEREUQCSA-N 2 0 226.364 1.349 20 0 BDADRP CC(C)[C@@H](C[NH3+])C[NH2+][C@H]1CCC2(C1)OCCO2 ZINC001575422294 993039737 /nfs/dbraw/zinc/03/97/37/993039737.db2.gz HZUVDBVIQLDDKB-RYUDHWBXSA-N 2 0 242.363 1.103 20 0 BDADRP CC(C)[C@H](O)CC[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001575472975 993050151 /nfs/dbraw/zinc/05/01/51/993050151.db2.gz ROGJPFGAHPOYFH-JHJVBQTASA-N 2 0 226.364 1.207 20 0 BDADRP CC(C)CC[C@H](CO)[NH2+]CC(C)(C)C[NH3+] ZINC001575555072 993069812 /nfs/dbraw/zinc/06/98/12/993069812.db2.gz PGKCALLNZXTYIM-LLVKDONJSA-N 2 0 216.369 1.358 20 0 BDADRP CC(C)C[C@@H](CN(C)C)[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001575619600 993080018 /nfs/dbraw/zinc/08/00/18/993080018.db2.gz ZZUUXWDQQFHAHX-RJZJGCCBSA-N 2 0 239.407 1.432 20 0 BDADRP CC(C)[C@H](CO)[NH2+]CCCC1CC[NH2+]CC1 ZINC001575831222 993109847 /nfs/dbraw/zinc/10/98/47/993109847.db2.gz FRYLMOVUCXHSSQ-ZDUSSCGKSA-N 2 0 228.380 1.373 20 0 BDADRP CC(C)C[C@@H]([NH3+])CC(=O)NCCCC[NH+](C)C ZINC001263095461 993110282 /nfs/dbraw/zinc/11/02/82/993110282.db2.gz MPGMZVFETKBMDU-GFCCVEGCSA-N 2 0 243.395 1.208 20 0 BDADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]([NH3+])C1CCCCCC1 ZINC001263110470 993121057 /nfs/dbraw/zinc/12/10/57/993121057.db2.gz WVHCZTIAAPZXHS-NHCYSSNCSA-N 2 0 241.379 1.136 20 0 BDADRP CC(C)n1cc(C[NH2+]C[C@H]2CC[C@@H]([NH3+])C2)cn1 ZINC001575903147 993121913 /nfs/dbraw/zinc/12/19/13/993121913.db2.gz FNYSKILYYACMNA-WCQYABFASA-N 2 0 236.363 1.681 20 0 BDADRP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H]1CCC[C@H]1O ZINC001575940976 993133503 /nfs/dbraw/zinc/13/35/03/993133503.db2.gz GBDKGURQSMNWQY-NNYUYHANSA-N 2 0 212.337 1.020 20 0 BDADRP C[C@H](C[C@H]1CCOC1)[NH2+]CC1([NH3+])CCC1 ZINC001575940997 993134071 /nfs/dbraw/zinc/13/40/71/993134071.db2.gz GMBRSOJLJYONAI-GHMZBOCLSA-N 2 0 212.337 1.273 20 0 BDADRP CC(C)C[C@@H]([NH3+])CC(=O)NCC1([NH3+])CCCC1 ZINC001263157381 993138088 /nfs/dbraw/zinc/13/80/88/993138088.db2.gz XFBCKXNQXICKMS-LLVKDONJSA-N 2 0 241.379 1.138 20 0 BDADRP C[C@H](CC[NH3+])[NH2+]C[C@@]1(C)CCCCO1 ZINC001575962728 993140534 /nfs/dbraw/zinc/14/05/34/993140534.db2.gz WKLLJNMEAGNDRE-GHMZBOCLSA-N 2 0 200.326 1.273 20 0 BDADRP C[C@H](CC[NH3+])[NH2+]Cc1cc(-c2ccccn2)n[nH]1 ZINC001575962788 993143444 /nfs/dbraw/zinc/14/34/44/993143444.db2.gz XUAQGIIOQMYIGH-SNVBAGLBSA-N 2 0 245.330 1.299 20 0 BDADRP C[C@@H](CCn1cccn1)[NH2+]CCC1(C[NH3+])CC1 ZINC001575973277 993147097 /nfs/dbraw/zinc/14/70/97/993147097.db2.gz YXDXXWKLILPAAS-LBPRGKRZSA-N 2 0 236.363 1.380 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]Cc1cc(-c2ccccn2)n[nH]1 ZINC001575989115 993152459 /nfs/dbraw/zinc/15/24/59/993152459.db2.gz RAUDHYQKPMLLGU-SNVBAGLBSA-N 2 0 245.330 1.156 20 0 BDADRP C[C@H]([NH3+])CN1CCC[C@]1(CO)c1ccccc1 ZINC001576157659 993198755 /nfs/dbraw/zinc/19/87/55/993198755.db2.gz UEOGTCFNEUEONF-JSGCOSHPSA-N 2 0 234.343 1.317 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)[C@@H]1CCCOC1 ZINC001576244157 993229731 /nfs/dbraw/zinc/22/97/31/993229731.db2.gz IBBBNCFDRLICSR-JHJVBQTASA-N 2 0 226.364 1.391 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CC[C@@H]([NH3+])C1)[C@H]1CCCO1 ZINC001576244568 993230534 /nfs/dbraw/zinc/23/05/34/993230534.db2.gz LSMRMNKMXTYUMZ-NNYUYHANSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C1)C1CCSCC1 ZINC001576250685 993232693 /nfs/dbraw/zinc/23/26/93/993232693.db2.gz GMRXWKIJCGEBSO-LSJOCFKGSA-N 2 0 214.378 1.597 20 0 BDADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)[C@H]1COC(C)(C)O1 ZINC001576246251 993232909 /nfs/dbraw/zinc/23/29/09/993232909.db2.gz VEIBKPKLRIXTEY-WDEREUQCSA-N 2 0 242.363 1.245 20 0 BDADRP C[C@H](O)[C@H](C)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC001576264392 993241163 /nfs/dbraw/zinc/24/11/63/993241163.db2.gz JZGVUHVZOVBZIG-GMXVVIOVSA-N 2 0 226.364 1.077 20 0 BDADRP C[C@H](O)[C@H](C)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001576263137 993241890 /nfs/dbraw/zinc/24/18/90/993241890.db2.gz FVNOENRFSIUPOI-RWMBFGLXSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H](O)[C@H]1CCCC[N@@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576269016 993242956 /nfs/dbraw/zinc/24/29/56/993242956.db2.gz KHYDPDTTXQDPDV-YVECIDJPSA-N 2 0 226.364 1.349 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+][C@H](CO)CC1CCC1 ZINC001576383460 993291779 /nfs/dbraw/zinc/29/17/79/993291779.db2.gz OUDVGUDUWJELAW-TUAOUCFPSA-N 2 0 226.364 1.253 20 0 BDADRP C[NH+](C)C1CCC([NH2+]CCCCO)CC1 ZINC000379914552 993293794 /nfs/dbraw/zinc/29/37/94/993293794.db2.gz AYKLSUBJLUACEC-UHFFFAOYSA-N 2 0 214.353 1.221 20 0 BDADRP CC1(C)C[C@@H]([NH2+]CCC2([NH3+])CCOCC2)CO1 ZINC001576393274 993296900 /nfs/dbraw/zinc/29/69/00/993296900.db2.gz GQVYIALZSQEAJO-LLVKDONJSA-N 2 0 242.363 1.042 20 0 BDADRP CC[C@@H](O)C[NH2+]CCC[NH+]1CCCCC1 ZINC000379978689 993303718 /nfs/dbraw/zinc/30/37/18/993303718.db2.gz GCOOQEQWBZTBKN-GFCCVEGCSA-N 2 0 214.353 1.223 20 0 BDADRP CN(C)CC[NH2+]C1CCC([NH+](C)C)CC1 ZINC000380305842 993326490 /nfs/dbraw/zinc/32/64/90/993326490.db2.gz FNKUPEOXOLMPBE-UHFFFAOYSA-N 2 0 213.369 1.010 20 0 BDADRP C[C@@]1(C[NH2+]C[C@@H]2CCCC(C)(C)O2)CC[NH2+]C1 ZINC001576518750 993327924 /nfs/dbraw/zinc/32/79/24/993327924.db2.gz GNTHWBODBGIZIF-GXTWGEPZSA-N 2 0 240.391 1.923 20 0 BDADRP CC1([NH2+]CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)COC1 ZINC001576545446 993339311 /nfs/dbraw/zinc/33/93/11/993339311.db2.gz MCPUEEDTADNXNX-YOGCLGLASA-N 2 0 224.348 1.286 20 0 BDADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@@]1(O)CC[NH2+]C1 ZINC001576581521 993352664 /nfs/dbraw/zinc/35/26/64/993352664.db2.gz BZYBSZDXEIMDJL-NTZNESFSSA-N 2 0 226.364 1.125 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)CCO1 ZINC001576624999 993357911 /nfs/dbraw/zinc/35/79/11/993357911.db2.gz VQSJUNKADDXNPP-UTUOFQBUSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C2CC3(C[C@@H]3[NH3+])C2)CS1 ZINC001576625035 993358458 /nfs/dbraw/zinc/35/84/58/993358458.db2.gz WQYKOGQHAFTSQP-TZRRICKUSA-N 2 0 212.362 1.350 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@@H]1C[C@@H]3COC[C@H]13)[NH2+]2 ZINC001576586806 993359678 /nfs/dbraw/zinc/35/96/78/993359678.db2.gz AUQQNNUCIGVFSL-YJIVIRPOSA-N 2 0 236.359 1.140 20 0 BDADRP C[C@H]1C[C@@H](C[NH2+][C@@H]2C[C@@H]3CC[C@H]2O3)CC[NH2+]1 ZINC001576597467 993362137 /nfs/dbraw/zinc/36/21/37/993362137.db2.gz FINOKWIXEJSGIK-JZRPKSSGSA-N 2 0 224.348 1.284 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC2([NH3+])CCOCC2)CS1 ZINC001576624811 993373733 /nfs/dbraw/zinc/37/37/33/993373733.db2.gz UEZVELQHHAZPMN-MNOVXSKESA-N 2 0 244.404 1.368 20 0 BDADRP C[C@@H]1C[C@H](Nc2cc[nH+]cc2)C[N@@H+]1C1CC1 ZINC000381306657 993385274 /nfs/dbraw/zinc/38/52/74/993385274.db2.gz KNPFACONALWIPV-PWSUYJOCSA-N 2 0 217.316 1.541 20 0 BDADRP C[C@@H]1C[C@@H](Nc2cc[nH+]cc2)C[N@@H+]1C1CC1 ZINC000381306660 993385739 /nfs/dbraw/zinc/38/57/39/993385739.db2.gz KNPFACONALWIPV-ZYHUDNBSSA-N 2 0 217.316 1.541 20 0 BDADRP C[C@@H]1CCC[C@H](C[NH2+]CC2C[NH2+]C2)[C@@H]1C ZINC001576678340 993392366 /nfs/dbraw/zinc/39/23/66/993392366.db2.gz NHAWQXVTOBYXRO-NQBHXWOUSA-N 2 0 210.365 1.868 20 0 BDADRP C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CC[NH2+]C[C@H]1O ZINC001576689359 993396639 /nfs/dbraw/zinc/39/66/39/993396639.db2.gz APXAKAYADILGEP-FVCCEPFGSA-N 2 0 226.364 1.125 20 0 BDADRP C[C@@H]1CCN[C@@H](C)[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC001576748668 993411948 /nfs/dbraw/zinc/41/19/48/993411948.db2.gz KTDPFPDNEMRXFX-DYEKYZERSA-N 2 0 239.407 1.304 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCC[NH2+]C2)C[C@@]1(C)CO ZINC001576800575 993428961 /nfs/dbraw/zinc/42/89/61/993428961.db2.gz KHOQLFUDCWQQGV-MCIONIFRSA-N 2 0 240.391 1.326 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)[C@@H](C)CN1C ZINC001576806114 993429393 /nfs/dbraw/zinc/42/93/93/993429393.db2.gz BOOMMDSWPMSUFG-MROQNXINSA-N 2 0 225.380 1.138 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)[C@H](C)CN1C ZINC001576806113 993429726 /nfs/dbraw/zinc/42/97/26/993429726.db2.gz BOOMMDSWPMSUFG-FVCCEPFGSA-N 2 0 225.380 1.138 20 0 BDADRP C[NH+](C)C1CN(CCC[NH2+]C2CCCCC2)C1 ZINC000382263229 993448421 /nfs/dbraw/zinc/44/84/21/993448421.db2.gz HQIMJVFWVUEMHF-UHFFFAOYSA-N 2 0 239.407 1.545 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@@H+]1C2CCC1(C[NH3+])CC2 ZINC001576904246 993449953 /nfs/dbraw/zinc/44/99/53/993449953.db2.gz SSUTZNQPOVTHAN-ZSVAQUKISA-N 2 0 224.348 1.367 20 0 BDADRP C[C@@H]1OCC[C@H]1C[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC001576903537 993450598 /nfs/dbraw/zinc/45/05/98/993450598.db2.gz LNCCFRWYECEAJP-RVMXOQNASA-N 2 0 224.348 1.286 20 0 BDADRP [NH3+][C@H]1CCC[C@@H](Nc2ccc3c([nH+]2)CCC3)C1 ZINC000382455510 993461445 /nfs/dbraw/zinc/46/14/45/993461445.db2.gz IWIAQTPNMKBZKO-NWDGAFQWSA-N 2 0 231.343 1.674 20 0 BDADRP CC[C@H](C[C@@H](C)O)[NH2+]C[C@H]([NH3+])CC(F)F ZINC001577044364 993485367 /nfs/dbraw/zinc/48/53/67/993485367.db2.gz RUBANHDZEXSEHY-IWSPIJDZSA-N 2 0 224.295 1.108 20 0 BDADRP CC[C@H](C[C@H](C)O)[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001577044322 993486466 /nfs/dbraw/zinc/48/64/66/993486466.db2.gz RFPLLAPMIBURPD-FYYRKSLSSA-N 2 0 212.337 1.005 20 0 BDADRP CC(C)C[NH+]1CCC(N2CC[C@@H]([NH3+])[C@H]2C)CC1 ZINC000383417225 993490356 /nfs/dbraw/zinc/49/03/56/993490356.db2.gz XAIASZJDVACGBS-TZMCWYRMSA-N 2 0 239.407 1.528 20 0 BDADRP CCC(CC)(C[NH3+])C[NH2+][C@@H](C)CC(C)(C)O ZINC001577052159 993491177 /nfs/dbraw/zinc/49/11/77/993491177.db2.gz KOEDWZPLCOPFHJ-NSHDSACASA-N 2 0 230.396 1.891 20 0 BDADRP CC[C@@H](C[NH2+]C[C@H]1C[NH2+]C[C@H]1O)c1ccccc1 ZINC001577088340 993498822 /nfs/dbraw/zinc/49/88/22/993498822.db2.gz BVRCKROUPYLCER-AEGPPILISA-N 2 0 248.370 1.350 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH+]2CCCC[C@@H](C[NH3+])C2)CC1 ZINC000383743771 993510854 /nfs/dbraw/zinc/51/08/54/993510854.db2.gz ISJIXHPBOTYFPK-KBPBESRZSA-N 3 0 239.407 1.532 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]([NH3+])CCOC)C1CCOCC1 ZINC001577175860 993532435 /nfs/dbraw/zinc/53/24/35/993532435.db2.gz JXSMUQNMUKFUDN-STQMWFEESA-N 2 0 244.379 1.145 20 0 BDADRP CC[C@H]([NH2+]C[C@H]([NH3+])CCOC)C1CC1 ZINC001577175645 993534736 /nfs/dbraw/zinc/53/47/36/993534736.db2.gz DOQMAELCNAZAOA-MNOVXSKESA-N 2 0 200.326 1.128 20 0 BDADRP CC[C@H]([NH2+]C[C@@]1(O)CC[NH2+]C1)C1CCCC1 ZINC001577176049 993535117 /nfs/dbraw/zinc/53/51/17/993535117.db2.gz QNXOEUGRTFWXNE-QWHCGFSZSA-N 2 0 226.364 1.269 20 0 BDADRP CC[C@]1(C)CCC[C@H]1[NH2+]C[C@@]1(O)CC[NH2+]C1 ZINC001577205588 993544391 /nfs/dbraw/zinc/54/43/91/993544391.db2.gz UAXHUIZASAEDKI-JHJVBQTASA-N 2 0 226.364 1.269 20 0 BDADRP CC[C@@]1(CO)CCC[N@@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001577220915 993549213 /nfs/dbraw/zinc/54/92/13/993549213.db2.gz PFICNYVZDNGIDM-XQQFMLRXSA-N 2 0 226.364 1.351 20 0 BDADRP CC[C@]1(O)CCC[N@H+](CC2(C[NH3+])CCC2)C1 ZINC001577233233 993549575 /nfs/dbraw/zinc/54/95/75/993549575.db2.gz GKYFVWOWHPOQKN-ZDUSSCGKSA-N 2 0 226.364 1.352 20 0 BDADRP Cc1nccn1CC[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC000384148967 993551472 /nfs/dbraw/zinc/55/14/72/993551472.db2.gz PJJXIMZAZKEMAU-CYBMUJFWSA-N 2 0 236.363 1.265 20 0 BDADRP CC[C@H]1C[C@@H](C[NH2+]CC2C[NH2+]C2)CCO1 ZINC001577240874 993553365 /nfs/dbraw/zinc/55/33/65/993553365.db2.gz NSWLJSJQPWSIQR-JQWIXIFHSA-N 2 0 212.337 1.001 20 0 BDADRP CC[C@@H]1CC[N@H+](C[C@]2(O)CCC[NH2+]C2)[C@@H]1C ZINC001577262172 993564706 /nfs/dbraw/zinc/56/47/06/993564706.db2.gz FNAVJCSMITZNKL-UPJWGTAASA-N 2 0 226.364 1.221 20 0 BDADRP CC[C@H]1CC[N@H+](CCN2CC[NH2+]CC2)[C@@H]1C ZINC001577263956 993571331 /nfs/dbraw/zinc/57/13/31/993571331.db2.gz WBLVDIFUNPIVRQ-OLZOCXBDSA-N 2 0 225.380 1.012 20 0 BDADRP C1CC[NH+](C2CCN([C@H]3CCC[NH2+]C3)CC2)C1 ZINC000384477085 993584343 /nfs/dbraw/zinc/58/43/43/993584343.db2.gz OSGVVMPTWZWCRK-AWEZNQCLSA-N 2 0 237.391 1.299 20 0 BDADRP CCC[C@@H](C)[C@@H](CO)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC001577335769 993594057 /nfs/dbraw/zinc/59/40/57/993594057.db2.gz BMUWYFOJAUUNCJ-FVCCEPFGSA-N 2 0 228.380 1.229 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)N1CC[C@H]([N@H+](C)CC)C1 ZINC001577328613 993599492 /nfs/dbraw/zinc/59/94/92/993599492.db2.gz UGEBTIWZEXQEMH-WCQYABFASA-N 2 0 241.379 1.057 20 0 BDADRP CCC[C@H](C)[C@H](CO)NC[C@H]1CCC[NH2+]1 ZINC001577335785 993600054 /nfs/dbraw/zinc/60/00/54/993600054.db2.gz BQMPXZRKZOEZEC-TUAOUCFPSA-N 2 0 214.353 1.125 20 0 BDADRP CC[NH+](CC)C1CCN(CCC[NH2+]C)CC1 ZINC000384525214 993599646 /nfs/dbraw/zinc/59/96/46/993599646.db2.gz IZVAWKUGLOVHKN-UHFFFAOYSA-N 2 0 227.396 1.402 20 0 BDADRP CC[NH+](CC)C1CCN(C[C@H](C)[NH3+])CC1 ZINC000384585262 993605358 /nfs/dbraw/zinc/60/53/58/993605358.db2.gz UIKTWRGIHQLSNP-NSHDSACASA-N 2 0 213.369 1.140 20 0 BDADRP CCC[C@H](CCO)[NH2+]C[C@@H]([NH3+])CC(F)F ZINC001577358092 993614713 /nfs/dbraw/zinc/61/47/13/993614713.db2.gz PFHZMUICUSLYDA-DTWKUNHWSA-N 2 0 224.295 1.110 20 0 BDADRP CCC[C@H](CCO)[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001577358179 993616968 /nfs/dbraw/zinc/61/69/68/993616968.db2.gz SPAIPRCFGHKHFF-QTAHKJALSA-N 2 0 212.337 1.007 20 0 BDADRP CCCC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC001577410526 993650772 /nfs/dbraw/zinc/65/07/72/993650772.db2.gz MELMBJAKKOUUAT-VXGBXAGGSA-N 2 0 241.379 1.104 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC001577410523 993651628 /nfs/dbraw/zinc/65/16/28/993651628.db2.gz MELMBJAKKOUUAT-NEPJUHHUSA-N 2 0 241.379 1.104 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)NCC(C)(C)[NH3+] ZINC001577510443 993667383 /nfs/dbraw/zinc/66/73/83/993667383.db2.gz OFKBXQUTEVZFCZ-NSHDSACASA-N 2 0 215.385 1.434 20 0 BDADRP CCCC[N@H+](CCOC)CC(C)(C)C[NH3+] ZINC001577458128 993667671 /nfs/dbraw/zinc/66/76/71/993667671.db2.gz VPCHIUBJNMJIPO-UHFFFAOYSA-N 2 0 216.369 1.720 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)CC1([NH3+])CC1 ZINC001577510518 993676153 /nfs/dbraw/zinc/67/61/53/993676153.db2.gz QQLCEIDQIDBXDS-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP CCCN(CC)C[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC001577510237 993677573 /nfs/dbraw/zinc/67/75/73/993677573.db2.gz GJNUGZMVMLJSJH-UPJWGTAASA-N 2 0 227.396 1.434 20 0 BDADRP CCCN1CCC[C@H]1C[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001577535507 993679169 /nfs/dbraw/zinc/67/91/69/993679169.db2.gz CZHQWHGCEXCFAG-QPPOZKHWSA-N 2 0 237.391 1.330 20 0 BDADRP CCCNC(=O)CCC[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC001577538600 993682340 /nfs/dbraw/zinc/68/23/40/993682340.db2.gz CUNVJSFVQGFBSQ-MNOVXSKESA-N 2 0 241.379 1.008 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)N[C@H](C[NH+](C)C)C(C)C ZINC001577551333 993686875 /nfs/dbraw/zinc/68/68/75/993686875.db2.gz PJZMBNJIAYULLF-VXGBXAGGSA-N 2 0 243.395 1.077 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H](C)O ZINC000386751858 993694890 /nfs/dbraw/zinc/69/48/90/993694890.db2.gz GSNFNXGFECUSOZ-LPWJVIDDSA-N 2 0 226.364 1.362 20 0 BDADRP CC[N@H+](C)[C@@H]1CCN(CC2(C[NH3+])CCC2)C1 ZINC001577654894 993704564 /nfs/dbraw/zinc/70/45/64/993704564.db2.gz KTNSVBBCZHLNJU-GFCCVEGCSA-N 2 0 225.380 1.141 20 0 BDADRP CC[N@H+](C)[C@@H]1CCN(C[C@@H](C[NH3+])C(C)C)C1 ZINC001577654369 993706957 /nfs/dbraw/zinc/70/69/57/993706957.db2.gz BURBCMQXETWICV-CHWSQXEVSA-N 2 0 227.396 1.243 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001577654844 993710227 /nfs/dbraw/zinc/71/02/27/993710227.db2.gz JASVSIBHLFAREE-MELADBBJSA-N 3 0 239.407 1.387 20 0 BDADRP CCSCC[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC000389292117 993744305 /nfs/dbraw/zinc/74/43/05/993744305.db2.gz CUDLMRRCMCHCDB-LLVKDONJSA-N 2 0 216.394 1.813 20 0 BDADRP CCCC[C@@H](C)[NH2+]CCSCC[NH3+] ZINC000389702080 993758169 /nfs/dbraw/zinc/75/81/69/993758169.db2.gz JQFWGJHQVLDUAU-SNVBAGLBSA-N 2 0 204.383 1.847 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+]CCc2cnccn2)CC1 ZINC000390076667 993776382 /nfs/dbraw/zinc/77/63/82/993776382.db2.gz XEZKEHVBXFPHTB-LBPRGKRZSA-N 2 0 234.347 1.093 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCCC[C@H]2CO)CC1 ZINC000390537933 993795177 /nfs/dbraw/zinc/79/51/77/993795177.db2.gz PSJKNINNKGVRRP-ZDUSSCGKSA-N 2 0 226.364 1.175 20 0 BDADRP COc1cncc(CN2CCCC[C@@H](C[NH3+])C2)c1 ZINC000700050429 993818913 /nfs/dbraw/zinc/81/89/13/993818913.db2.gz DVINQIWGEOWYTE-LBPRGKRZSA-N 2 0 249.358 1.651 20 0 BDADRP C[C@H](O)[C@H](C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000700785187 993852720 /nfs/dbraw/zinc/85/27/20/993852720.db2.gz CNPYVRJUUMGGJZ-SDDRHHMPSA-N 2 0 214.353 1.077 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cc[nH]c(=O)c2)CC1 ZINC000392644116 993874125 /nfs/dbraw/zinc/87/41/25/993874125.db2.gz QOGRRNWLZIGERM-GFCCVEGCSA-N 2 0 235.331 1.361 20 0 BDADRP Cc1cccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)n1 ZINC000393169716 993910895 /nfs/dbraw/zinc/91/08/95/993910895.db2.gz AHUPKQACKNLGTL-GFCCVEGCSA-N 2 0 219.332 1.703 20 0 BDADRP CC[C@H](C)C[NH2+][C@H](C)CNC(=O)CC[NH+](C)C ZINC001265818989 993951646 /nfs/dbraw/zinc/95/16/46/993951646.db2.gz WVCIDJWIYQVBFT-NWDGAFQWSA-N 2 0 243.395 1.079 20 0 BDADRP CCC1(C[NH2+][C@@H]2CCC[N@H+](C)CC2)COC1 ZINC000393965334 994023657 /nfs/dbraw/zinc/02/36/57/994023657.db2.gz NKSKRNDREQHWDD-GFCCVEGCSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H](O)[C@@H](C)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC001307609228 995416125 /nfs/dbraw/zinc/41/61/25/995416125.db2.gz MRFFDGKJKIDSMV-VXGBXAGGSA-N 2 0 226.364 1.316 20 0 BDADRP C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@H]1C)c1cn[nH]c1 ZINC000340524375 398136999 /nfs/dbraw/zinc/13/69/99/398136999.db2.gz IYHAAAYDMPJFTH-GBIKHYSHSA-N 2 0 234.347 1.543 20 0 BDADRP COCCC[N@H+](C)CCC1CC[NH2+]CC1 ZINC000062032009 398139106 /nfs/dbraw/zinc/13/91/06/398139106.db2.gz GYQNAQVGDCKNKO-UHFFFAOYSA-N 2 0 214.353 1.344 20 0 BDADRP C[N@H+](C[C@H]1CCCO1)C[C@@H]1CCC[NH+](C)C1 ZINC000336699989 187321557 /nfs/dbraw/zinc/32/15/57/187321557.db2.gz JZWDFBGAOIMWCU-CHWSQXEVSA-N 2 0 226.364 1.439 20 0 BDADRP C[N@H+](C[C@@H]1CCCO1)C[C@@H]1CCC[NH+](C)C1 ZINC000336699990 187321681 /nfs/dbraw/zinc/32/16/81/187321681.db2.gz JZWDFBGAOIMWCU-OLZOCXBDSA-N 2 0 226.364 1.439 20 0 BDADRP C([C@H]1CCOC1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000336722207 187321940 /nfs/dbraw/zinc/32/19/40/187321940.db2.gz ZTTVDCFPLLNWOU-UONOGXRCSA-N 2 0 238.375 1.441 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H](O)C2CCCCC2)C1 ZINC000572899629 398148099 /nfs/dbraw/zinc/14/80/99/398148099.db2.gz FYAHORDHFBIJNY-RDBSUJKOSA-N 2 0 240.391 1.787 20 0 BDADRP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)on1 ZINC000228544106 178009086 /nfs/dbraw/zinc/00/90/86/178009086.db2.gz AIHQDCGVYRSLOW-CYZMBNFOSA-N 2 0 235.331 1.542 20 0 BDADRP CO[C@H](C)CC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422906190 398156992 /nfs/dbraw/zinc/15/69/92/398156992.db2.gz UIJBPBOGDABNEZ-TUAOUCFPSA-N 2 0 214.353 1.389 20 0 BDADRP CCn1cc(C[NH2+]C2CCC(C[NH3+])CC2)cn1 ZINC000422906979 398157368 /nfs/dbraw/zinc/15/73/68/398157368.db2.gz ARNWUEZQUGDQQX-UHFFFAOYSA-N 2 0 236.363 1.510 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C1CCC(CO)CC1 ZINC000379835301 398170612 /nfs/dbraw/zinc/17/06/12/398170612.db2.gz DIRPBVWDSLQMJO-GNRIBBGQSA-N 2 0 240.391 1.645 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)[C@H](C)[NH+](C)C)c1 ZINC000649369556 398184097 /nfs/dbraw/zinc/18/40/97/398184097.db2.gz COVUOOFCBZEGSX-JTQLQIEISA-N 2 0 235.331 1.342 20 0 BDADRP Cc1cccc(C[NH2+]C[C@H]2CNCCO2)c1C ZINC000415095546 398160863 /nfs/dbraw/zinc/16/08/63/398160863.db2.gz MVXJNLFJABGBOJ-CQSZACIVSA-N 2 0 234.343 1.381 20 0 BDADRP CC[C@H]([NH2+][C@H]1CCO[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000423019745 398161040 /nfs/dbraw/zinc/16/10/40/398161040.db2.gz WZTQLIWFJZJVAJ-CYDGBPFRSA-N 2 0 226.364 1.674 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCc1ccccc1O ZINC000422976877 398161105 /nfs/dbraw/zinc/16/11/05/398161105.db2.gz VTBVDZKFBHYOLJ-QWRGUYRKSA-N 2 0 222.332 1.650 20 0 BDADRP C[C@@H](CCCc1cccnc1)[NH2+]CCC[NH3+] ZINC000415117903 398163084 /nfs/dbraw/zinc/16/30/84/398163084.db2.gz XLIRUTZASRACCS-LBPRGKRZSA-N 2 0 221.348 1.731 20 0 BDADRP C[C@H]([NH2+]CCC[NH3+])c1ccc2c(c1)COC2 ZINC000423174362 398164702 /nfs/dbraw/zinc/16/47/02/398164702.db2.gz ANTRYLXCCHOUQH-JTQLQIEISA-N 2 0 220.316 1.716 20 0 BDADRP C[C@H]1C[C@@H](N[C@H]2CCC[NH2+][C@H]2C)CC[N@@H+]1C ZINC000396714361 398167111 /nfs/dbraw/zinc/16/71/11/398167111.db2.gz QPOQORHKYYHOGG-CYDGBPFRSA-N 2 0 225.380 1.199 20 0 BDADRP COC[C@@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000334260147 398194768 /nfs/dbraw/zinc/19/47/68/398194768.db2.gz RKCLILJIDLWLMO-CHWSQXEVSA-N 2 0 226.364 1.439 20 0 BDADRP COC[C@H](C)C[NH2+][C@H]1CCCC[NH2+]C1 ZINC000576250558 365537851 /nfs/dbraw/zinc/53/78/51/365537851.db2.gz ATCNTIJUZNNMDN-MNOVXSKESA-N 2 0 200.326 1.001 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2=CCCOC2)CC[NH2+]1 ZINC000647796807 398201468 /nfs/dbraw/zinc/20/14/68/398201468.db2.gz OELRMJXWCFKDOE-PWSUYJOCSA-N 2 0 210.321 1.063 20 0 BDADRP C[NH+](C)CCOCC[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000338009425 187326573 /nfs/dbraw/zinc/32/65/73/187326573.db2.gz RLYIDMNLVJYPSP-UONOGXRCSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430920062 192027591 /nfs/dbraw/zinc/02/75/91/192027591.db2.gz NJGRDNBBAZIJNZ-MGPQQGTHSA-N 2 0 240.391 1.862 20 0 BDADRP CC(C)(CO)CC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000331926477 187327970 /nfs/dbraw/zinc/32/79/70/187327970.db2.gz VPCRBJUDZBKWHD-RYUDHWBXSA-N 2 0 228.380 1.645 20 0 BDADRP CCC[NH+]1CCC(N(C)C[C@@H]2CC[NH2+]C2)CC1 ZINC000649411878 398213901 /nfs/dbraw/zinc/21/39/01/398213901.db2.gz MWHDJKTWYWUGCU-CYBMUJFWSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000069724529 398214196 /nfs/dbraw/zinc/21/41/96/398214196.db2.gz FDYCDIQGHIIYFD-AVGNSLFASA-N 2 0 226.364 1.472 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H](C[NH3+])C2)CC[NH2+]1 ZINC000576346976 365573485 /nfs/dbraw/zinc/57/34/85/365573485.db2.gz VKJMUXGFLQAORI-FRRDWIJNSA-N 3 0 225.380 1.045 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](C[NH3+])C2)CC[NH2+]1 ZINC000576346977 365573572 /nfs/dbraw/zinc/57/35/72/365573572.db2.gz VKJMUXGFLQAORI-JHJVBQTASA-N 3 0 225.380 1.045 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCc2cn[nH]c2)C1 ZINC000381009226 398218456 /nfs/dbraw/zinc/21/84/56/398218456.db2.gz ROPPZXNOPPVMRA-ZYHUDNBSSA-N 2 0 222.336 1.011 20 0 BDADRP CC(C)[NH2+]C1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000649414709 398218748 /nfs/dbraw/zinc/21/87/48/398218748.db2.gz RWQGVMOHKLJYAS-LBPRGKRZSA-N 2 0 225.380 1.058 20 0 BDADRP CC[C@H](NCCC[NH2+]C(C)C)[C@@H]1CCC[NH2+]1 ZINC000576386750 365581566 /nfs/dbraw/zinc/58/15/66/365581566.db2.gz VBTAAOVKLBADEQ-STQMWFEESA-N 2 0 227.396 1.495 20 0 BDADRP CC[N@@H+]1CC[C@H](N(C)C[C@@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000649413775 398211926 /nfs/dbraw/zinc/21/19/26/398211926.db2.gz CNNHBELQXNEWFO-MJBXVCDLSA-N 2 0 239.407 1.258 20 0 BDADRP Cc1cc(NCCN2CC[NH+](C)CC2)cc[nH+]1 ZINC000162718125 178161295 /nfs/dbraw/zinc/16/12/95/178161295.db2.gz YXNYAZRYMSZRQG-UHFFFAOYSA-N 2 0 234.347 1.049 20 0 BDADRP Cc1cc(NCC[NH+]2CCCC2)cc[nH+]1 ZINC000084952300 178161844 /nfs/dbraw/zinc/16/18/44/178161844.db2.gz NJGGICITDAJSKC-UHFFFAOYSA-N 2 0 205.305 1.898 20 0 BDADRP Cc1cc(N[C@H]2CCC[C@@H]2C[NH3+])cc[nH+]1 ZINC000229576004 178189212 /nfs/dbraw/zinc/18/92/12/178189212.db2.gz GZCSCSBCYAORAB-PWSUYJOCSA-N 2 0 205.305 1.929 20 0 BDADRP C[C@H](CC[NH3+])NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000576397743 365585264 /nfs/dbraw/zinc/58/52/64/365585264.db2.gz JSZMCHRIOZFATR-LLVKDONJSA-N 2 0 249.358 1.215 20 0 BDADRP C(C[NH+]1CCCC1)C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000366772404 136222715 /nfs/dbraw/zinc/22/27/15/136222715.db2.gz IWXDUIPBHNLEIR-UONOGXRCSA-N 2 0 238.375 1.583 20 0 BDADRP CC[C@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000430764838 398231254 /nfs/dbraw/zinc/23/12/54/398231254.db2.gz UDIVDUDBZVDEGY-UTUOFQBUSA-N 2 0 241.379 1.103 20 0 BDADRP Cc1cc([C@H](C)[NH2+]CCCC[NH+](C)C)nn1C ZINC000337532060 178247631 /nfs/dbraw/zinc/24/76/31/178247631.db2.gz VUMOVOBCYRFKSM-LBPRGKRZSA-N 2 0 238.379 1.721 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)CN1CCC12CCC2 ZINC000576531172 365617438 /nfs/dbraw/zinc/61/74/38/365617438.db2.gz ZSZOEWDGCYRBNU-GFCCVEGCSA-N 2 0 226.364 1.316 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+][C@@H](CO)Cc1ccccc1 ZINC000089150662 259308121 /nfs/dbraw/zinc/30/81/21/259308121.db2.gz AFJDUXITULVNIY-KFWWJZLASA-N 2 0 248.370 1.307 20 0 BDADRP C[NH2+][C@@H]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000576590049 365633352 /nfs/dbraw/zinc/63/33/52/365633352.db2.gz NKXWEVNSJILPFD-OAHLLOKOSA-N 2 0 245.370 1.126 20 0 BDADRP C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc(C[NH3+])cc1 ZINC000576594061 365635092 /nfs/dbraw/zinc/63/50/92/365635092.db2.gz DNWMFBKCUIUBRY-GXFFZTMASA-N 2 0 247.342 1.097 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000576634739 365643745 /nfs/dbraw/zinc/64/37/45/365643745.db2.gz FKIRRCOYGFFNNO-ZWNOBZJWSA-N 2 0 241.379 1.090 20 0 BDADRP COc1cccnc1CNCc1cnc(C)n1C ZINC000576768482 365682411 /nfs/dbraw/zinc/68/24/11/365682411.db2.gz UOLDTVYBKVJVKP-UHFFFAOYSA-N 2 0 246.314 1.422 20 0 BDADRP Cc1nccn1C[C@@H]1CCCN1CC(F)F ZINC000178317962 538953033 /nfs/dbraw/zinc/95/30/33/538953033.db2.gz GNDHRSWGBWMUSV-JTQLQIEISA-N 2 0 229.274 1.921 20 0 BDADRP COCC[NH2+]C1CC[NH+](C[C@@H]2C[C@@H]2C)CC1 ZINC000565060450 323009394 /nfs/dbraw/zinc/00/93/94/323009394.db2.gz JHQKIPMFVMBBNH-RYUDHWBXSA-N 2 0 226.364 1.343 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCOC1)C1CC[NH+](C)CC1 ZINC000037738547 538963864 /nfs/dbraw/zinc/96/38/64/538963864.db2.gz GZRSINVWFQUXSF-VXGBXAGGSA-N 2 0 226.364 1.343 20 0 BDADRP CCOCCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000037210312 538961863 /nfs/dbraw/zinc/96/18/63/538961863.db2.gz CDQSHUZIJSSDHK-LBPRGKRZSA-N 2 0 228.380 1.733 20 0 BDADRP COCCC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000037221204 538961879 /nfs/dbraw/zinc/96/18/79/538961879.db2.gz DXMBCUVDTFSVPZ-LLVKDONJSA-N 2 0 214.353 1.343 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCOC1 ZINC000165715625 361844499 /nfs/dbraw/zinc/84/44/99/361844499.db2.gz NDQKJRJJEWNJAQ-LLVKDONJSA-N 2 0 200.326 1.095 20 0 BDADRP Cc1n[nH]cc1C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000038011318 538964749 /nfs/dbraw/zinc/96/47/49/538964749.db2.gz RFWLGIRCSNUTLM-SNVBAGLBSA-N 2 0 236.363 1.538 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2cccc(N)c2)C[C@@H]1C[NH3+] ZINC000335610925 136236904 /nfs/dbraw/zinc/23/69/04/136236904.db2.gz HCAXYXNUHMOGFA-YPMHNXCESA-N 2 0 233.359 1.686 20 0 BDADRP CC[NH+]1CCC([NH2+]CC(C)(C)COC)CC1 ZINC000336662522 361897689 /nfs/dbraw/zinc/89/76/89/361897689.db2.gz OLZTUSPYZDCHAT-UHFFFAOYSA-N 2 0 228.380 1.733 20 0 BDADRP C[N@H+]1CC=C(C[NH2+]Cc2ccncc2F)CC1 ZINC000449253343 398285918 /nfs/dbraw/zinc/28/59/18/398285918.db2.gz SPSZCJDUQJSDQO-UHFFFAOYSA-N 2 0 235.306 1.572 20 0 BDADRP C[C@H]([NH2+][C@@H](CCO)C(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC000583988667 342829897 /nfs/dbraw/zinc/82/98/97/342829897.db2.gz PCBHIYZCNCPQCB-XQQFMLRXSA-N 2 0 242.407 1.761 20 0 BDADRP C[NH+]1CCC(C[NH2+]Cc2ccc(O)cc2)CC1 ZINC000044515263 538989543 /nfs/dbraw/zinc/98/95/43/538989543.db2.gz ZRVKBIMESMXZJN-UHFFFAOYSA-N 2 0 234.343 1.824 20 0 BDADRP COC[C@@H](C)C[NH+]1CCC([NH+](C)C)CC1 ZINC000189696613 538984236 /nfs/dbraw/zinc/98/42/36/538984236.db2.gz PRWHAZLYXQFEJV-NSHDSACASA-N 2 0 214.353 1.295 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCOCC1CCC1 ZINC000562280592 323014868 /nfs/dbraw/zinc/01/48/68/323014868.db2.gz DGPWQESEFRBNEA-TZMCWYRMSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H](NC[C@@H](O)C[N@H+](C)C1CC1)c1cccnc1 ZINC000289330198 398310621 /nfs/dbraw/zinc/31/06/21/398310621.db2.gz HMTKQFUKFBZZCW-SMDDNHRTSA-N 2 0 249.358 1.187 20 0 BDADRP Cc1ccncc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000167243681 136245140 /nfs/dbraw/zinc/24/51/40/136245140.db2.gz AEMMCIHIJDJJRO-DGCLKSJQSA-N 2 0 219.332 1.607 20 0 BDADRP CC[NH2+]CCC[NH2+][C@H]1C[C@H](OCC)C1(C)C ZINC000233510857 342910069 /nfs/dbraw/zinc/91/00/69/342910069.db2.gz GOCJIGTUJLKIGF-RYUDHWBXSA-N 2 0 228.380 1.779 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](C)CCCC[NH3+] ZINC000494703849 529463947 /nfs/dbraw/zinc/46/39/47/529463947.db2.gz OYFUEAHYJQITMR-SRVKXCTJSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2=CC[NH+](C)CC2)CC[N@@H+]1C ZINC000335771563 398342433 /nfs/dbraw/zinc/34/24/33/398342433.db2.gz HZGWWEOKHZFDLY-OCCSQVGLSA-N 3 0 237.391 1.321 20 0 BDADRP CCCC[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000107368313 192055669 /nfs/dbraw/zinc/05/56/69/192055669.db2.gz VKLXMNCEBWEXAR-CQSZACIVSA-N 2 0 239.407 1.498 20 0 BDADRP CC(C)CC[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313360715 259333509 /nfs/dbraw/zinc/33/35/09/259333509.db2.gz WPXOSKSIPAIBBH-NSHDSACASA-N 2 0 200.326 1.082 20 0 BDADRP CC(C)OC1CC([NH2+]C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000189534554 346895849 /nfs/dbraw/zinc/89/58/49/346895849.db2.gz KVYJKWUPMOKLKF-HSBZDZAISA-N 2 0 240.391 1.874 20 0 BDADRP CC(C)OC1CC([NH2+]C[C@H]2CCC[N@H+](C)C2)C1 ZINC000189534574 346896199 /nfs/dbraw/zinc/89/61/99/346896199.db2.gz KVYJKWUPMOKLKF-IYXRBSQSSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]1CCCC[C@H]1C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313350927 259333878 /nfs/dbraw/zinc/33/38/78/259333878.db2.gz LBYMDSPWBHLWAF-RDBSUJKOSA-N 2 0 240.391 1.862 20 0 BDADRP COc1ccc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000107933276 192056833 /nfs/dbraw/zinc/05/68/33/192056833.db2.gz WYPLPSQCHCNULW-WCQYABFASA-N 2 0 234.343 1.864 20 0 BDADRP CC1(C)SC[C@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000307093283 192056650 /nfs/dbraw/zinc/05/66/50/192056650.db2.gz CSUDBBIHBROWPX-VHSXEESVSA-N 2 0 214.378 1.612 20 0 BDADRP C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1CCOCC[NH3+] ZINC000357077012 187213642 /nfs/dbraw/zinc/21/36/42/187213642.db2.gz IZONBHGLFBAUFS-HIFRSBDPSA-N 2 0 248.370 1.840 20 0 BDADRP C1C[C@@H]([N@@H+]2C[C@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)CO1 ZINC000371464048 187221787 /nfs/dbraw/zinc/22/17/87/187221787.db2.gz NXWCKYBZTHVKSX-SYQHCUMBSA-N 2 0 236.359 1.191 20 0 BDADRP CC(C)C[C@H]([NH3+])c1noc([C@H]2CC23C[NH2+]C3)n1 ZINC000576822900 365694891 /nfs/dbraw/zinc/69/48/91/365694891.db2.gz QBPODBVVIDTYTH-BDAKNGLRSA-N 2 0 236.319 1.192 20 0 BDADRP CC(C)C[C@@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000304332846 187224299 /nfs/dbraw/zinc/22/42/99/187224299.db2.gz AOPRFQYVZWRUCF-CYBMUJFWSA-N 2 0 227.396 1.306 20 0 BDADRP C([NH2+][C@@H]1CCC[NH2+]CC1)C1CCSCC1 ZINC000229218670 187228978 /nfs/dbraw/zinc/22/89/78/187228978.db2.gz PBGOVFXIQOLJJQ-GFCCVEGCSA-N 2 0 228.405 1.861 20 0 BDADRP CCC1(C[NH2+]C2CC([NH+](C)C)C2)CCOCC1 ZINC000576839059 365701968 /nfs/dbraw/zinc/70/19/68/365701968.db2.gz YQGBBRYXRIRCPK-UHFFFAOYSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[NH+](C2CCC2)CC1 ZINC000336894414 187231021 /nfs/dbraw/zinc/23/10/21/187231021.db2.gz LXOFUNITIYOKAE-ZDUSSCGKSA-N 2 0 239.407 1.530 20 0 BDADRP CCC[C@H](CCO)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000224354833 259348739 /nfs/dbraw/zinc/34/87/39/259348739.db2.gz XYJXZINTUUSKSR-BFHYXJOUSA-N 2 0 242.407 1.857 20 0 BDADRP CC(C)(C)n1cc(C[NH2+]CCCC[NH3+])cn1 ZINC000037715564 187230267 /nfs/dbraw/zinc/23/02/67/187230267.db2.gz BILDXIVZIRHBCE-UHFFFAOYSA-N 2 0 224.352 1.467 20 0 BDADRP COCC[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000062079370 136271970 /nfs/dbraw/zinc/27/19/70/136271970.db2.gz MVQRHWBRCGSAPA-CHWSQXEVSA-N 2 0 228.380 1.733 20 0 BDADRP Cn1cccc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000050596278 343177486 /nfs/dbraw/zinc/17/74/86/343177486.db2.gz CFRXIPWWFRVUFX-LBPRGKRZSA-N 2 0 221.348 1.457 20 0 BDADRP COCCCC[NH+]1CCC(CC[NH3+])CC1 ZINC000130935124 343181961 /nfs/dbraw/zinc/18/19/61/343181961.db2.gz IUNQJDINUJHWLD-UHFFFAOYSA-N 2 0 214.353 1.474 20 0 BDADRP CC1CCN(CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000093215418 343151352 /nfs/dbraw/zinc/15/13/52/343151352.db2.gz QPQRYNBTQJTFQN-KBPBESRZSA-N 2 0 239.407 1.578 20 0 BDADRP C[N@H+](CCC[NH3+])Cc1ccc(-n2cccn2)cc1 ZINC000123304206 343162084 /nfs/dbraw/zinc/16/20/84/343162084.db2.gz PGBCXKBXAMBTEE-UHFFFAOYSA-N 2 0 244.342 1.653 20 0 BDADRP C[C@H](O)CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000088091326 136284274 /nfs/dbraw/zinc/28/42/74/136284274.db2.gz PUHGDRDOVSKPQF-YNEHKIRRSA-N 2 0 226.364 1.173 20 0 BDADRP CCC(O)(CC)C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000084222833 136290672 /nfs/dbraw/zinc/29/06/72/136290672.db2.gz GLDKJIBSYCWSSP-MNOVXSKESA-N 2 0 214.353 1.255 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)C[C@H]1CCC[C@@H]1[NH3+] ZINC000340083176 136285988 /nfs/dbraw/zinc/28/59/88/136285988.db2.gz QPBHMYJSIHFQSP-UTUOFQBUSA-N 2 0 241.379 1.138 20 0 BDADRP Cc1nccn1CCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000348750726 136296944 /nfs/dbraw/zinc/29/69/44/136296944.db2.gz PNKWLWTYJHZBCE-BFHYXJOUSA-N 2 0 248.374 1.251 20 0 BDADRP CC(C)[N@H+](C)CC(=O)Nc1cccc(C[NH3+])c1 ZINC000022222631 187254821 /nfs/dbraw/zinc/25/48/21/187254821.db2.gz KJZQIAWYGQECRX-UHFFFAOYSA-N 2 0 235.331 1.424 20 0 BDADRP CC[C@H](COC)[NH2+]C[C@H]1CC[N@H+](CC)C1 ZINC000070624132 343335919 /nfs/dbraw/zinc/33/59/19/343335919.db2.gz MLBRZJPXVLNBRW-VXGBXAGGSA-N 2 0 214.353 1.343 20 0 BDADRP Cc1nc(C)c(CN[C@@H]2CC[NH2+][C@H](C)C2)s1 ZINC000335641598 136308711 /nfs/dbraw/zinc/30/87/11/136308711.db2.gz UFVFNBPLLQAMDR-LDYMZIIASA-N 2 0 239.388 1.990 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000310203324 343381601 /nfs/dbraw/zinc/38/16/01/343381601.db2.gz CGWUOBNBIILCLB-IGQOVBAYSA-N 2 0 242.407 1.713 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)CC[NH2+]C(C)C ZINC000132021321 343397746 /nfs/dbraw/zinc/39/77/46/343397746.db2.gz QYEBXEXCGVGWBD-NSHDSACASA-N 2 0 229.368 1.008 20 0 BDADRP C[NH2+]C[C@@H](C)c1nc([C@@H]([NH3+])CC(C)C)no1 ZINC000569971233 323046134 /nfs/dbraw/zinc/04/61/34/323046134.db2.gz MXRIHOGKBMEVIG-BDAKNGLRSA-N 2 0 226.324 1.438 20 0 BDADRP CC[NH+]1CCN(CC[NH+]2CCCCC2)CC1 ZINC000041246219 343417969 /nfs/dbraw/zinc/41/79/69/343417969.db2.gz MVCRAOMAEFFULK-UHFFFAOYSA-N 2 0 225.380 1.110 20 0 BDADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cncn1C ZINC000335704742 136335200 /nfs/dbraw/zinc/33/52/00/136335200.db2.gz KLXUPCBNEQYNAT-CHWSQXEVSA-N 2 0 248.374 1.479 20 0 BDADRP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H]1CCOC[C@H]1C ZINC000353969704 136357094 /nfs/dbraw/zinc/35/70/94/136357094.db2.gz CFCYDHFKFHPFDI-AAVRWANBSA-N 2 0 240.391 1.589 20 0 BDADRP C[C@H]1COCC[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000192551662 365750507 /nfs/dbraw/zinc/75/05/07/365750507.db2.gz WCYPBRQNKMXDHA-AAEUAGOBSA-N 2 0 226.364 1.343 20 0 BDADRP C[C@@H]1COCC[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000192551679 365750921 /nfs/dbraw/zinc/75/09/21/365750921.db2.gz WCYPBRQNKMXDHA-DGCLKSJQSA-N 2 0 226.364 1.343 20 0 BDADRP COC[C@@H](C)C[NH2+]CCC[NH+]1CCCCC1 ZINC000163298828 323050209 /nfs/dbraw/zinc/05/02/09/323050209.db2.gz VYCXCERBMTZLCU-ZDUSSCGKSA-N 2 0 228.380 1.735 20 0 BDADRP COC[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)C1CC1 ZINC000398035132 262942336 /nfs/dbraw/zinc/94/23/36/262942336.db2.gz PHAXHACASGDFRU-YRGRVCCFSA-N 2 0 240.391 1.766 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+]C[C@H]2C[C@@H]2C)C1 ZINC000309055981 346958079 /nfs/dbraw/zinc/95/80/79/346958079.db2.gz UKDGXTOYUHEIKS-YNEHKIRRSA-N 2 0 210.365 1.964 20 0 BDADRP C=Cn1cc(CN(CC)CCC[NH+](C)C)cn1 ZINC000289454017 187346926 /nfs/dbraw/zinc/34/69/26/187346926.db2.gz NNZAHTSXCDODFX-UHFFFAOYSA-N 2 0 236.363 1.757 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621666691 343712694 /nfs/dbraw/zinc/71/26/94/343712694.db2.gz RFSGTLPMFVFMSD-QJPTWQEYSA-N 2 0 241.379 1.008 20 0 BDADRP C(C1CC[NH2+]CC1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062940914 187273742 /nfs/dbraw/zinc/27/37/42/187273742.db2.gz LDHWXALBGGOKGA-CQSZACIVSA-N 2 0 237.391 1.156 20 0 BDADRP CC(C)[NH+]1CCC(N2C[C@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000070075208 187274435 /nfs/dbraw/zinc/27/44/35/187274435.db2.gz DUDAVZWZWXFNDL-STQMWFEESA-N 2 0 239.407 1.541 20 0 BDADRP CC(C)[NH+]1CCN(CCC[NH2+]C2CC2)CC1 ZINC000037478638 537819952 /nfs/dbraw/zinc/81/99/52/537819952.db2.gz WGTNEQZIMLOGOI-UHFFFAOYSA-N 2 0 225.380 1.155 20 0 BDADRP CN(CC[NH2+]C(C)(C)C)CC(C)(C)C[NH3+] ZINC000414660063 529916853 /nfs/dbraw/zinc/91/68/53/529916853.db2.gz MDBWRMYRHCEVAX-UHFFFAOYSA-N 2 0 215.385 1.291 20 0 BDADRP C[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)N(C)C ZINC000038087980 537834148 /nfs/dbraw/zinc/83/41/48/537834148.db2.gz RRLAOMMJUGFHCA-VXGBXAGGSA-N 2 0 227.396 1.256 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000043428081 187355246 /nfs/dbraw/zinc/35/52/46/187355246.db2.gz PCWORDFDCCWCOI-RDBSUJKOSA-N 2 0 238.375 1.629 20 0 BDADRP CCc1nccn1C[C@H](O)C[N@H+](C)C(C)C ZINC000381100252 343973654 /nfs/dbraw/zinc/97/36/54/343973654.db2.gz XOXDJZUYMAHHRF-LLVKDONJSA-N 2 0 225.336 1.147 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C)(C)CC1 ZINC000381162675 344074195 /nfs/dbraw/zinc/07/41/95/344074195.db2.gz RTDJZAAHNXJNCB-GFCCVEGCSA-N 2 0 228.380 1.421 20 0 BDADRP Cc1n[nH]cc1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733036 344109079 /nfs/dbraw/zinc/10/90/79/344109079.db2.gz VVJAHWLMANFTNN-GFCCVEGCSA-N 2 0 236.363 1.586 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000634733511 344113072 /nfs/dbraw/zinc/11/30/72/344113072.db2.gz HEIWQUCYOLASRA-AVGNSLFASA-N 3 0 239.407 1.624 20 0 BDADRP CC1(C)C[NH2+]CC[C@H](NCC2(C[NH3+])CC2)C1 ZINC000634733772 344113906 /nfs/dbraw/zinc/11/39/06/344113906.db2.gz NIZLNTRLINQFJS-NSHDSACASA-N 2 0 225.380 1.093 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](N[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000634733969 344114608 /nfs/dbraw/zinc/11/46/08/344114608.db2.gz SXZHIOKGEWOLRI-RWMBFGLXSA-N 2 0 239.407 1.352 20 0 BDADRP C([C@@H]1CCCOC1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000299892965 344117483 /nfs/dbraw/zinc/11/74/83/344117483.db2.gz GBMCZXVDDHUPMH-RWMBFGLXSA-N 2 0 224.348 1.097 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C[C@](C)(O)C[NH+](C)C)C1 ZINC000125900469 344165713 /nfs/dbraw/zinc/16/57/13/344165713.db2.gz KGNQRJLOOZDEMS-WOPDTQHZSA-N 2 0 214.353 1.077 20 0 BDADRP CC1(C)CC[C@@H]([NH2+]C[C@H]2CNCCO2)C1 ZINC000129526777 344213405 /nfs/dbraw/zinc/21/34/05/344213405.db2.gz RSFHWYSRUGRGPA-GHMZBOCLSA-N 2 0 212.337 1.143 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@H](C)[C@@H](C)OC ZINC000131853451 344237510 /nfs/dbraw/zinc/23/75/10/344237510.db2.gz OFTNDFBXWVMHHY-NWDGAFQWSA-N 2 0 216.369 1.731 20 0 BDADRP CO[C@@H](C)[C@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000131888242 344237864 /nfs/dbraw/zinc/23/78/64/344237864.db2.gz UOZKGEMYXMWWFF-QWRGUYRKSA-N 2 0 216.369 1.587 20 0 BDADRP C[C@@H]([NH3+])CCC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634761593 344252416 /nfs/dbraw/zinc/25/24/16/344252416.db2.gz FJUZHSUZSYLYRM-MNOVXSKESA-N 2 0 241.379 1.008 20 0 BDADRP CC1(C)C[NH2+]CC[C@H](NC(=O)CCCC[NH3+])C1 ZINC000634762009 344255311 /nfs/dbraw/zinc/25/53/11/344255311.db2.gz NOMLUYOMXPTSIB-NSHDSACASA-N 2 0 241.379 1.010 20 0 BDADRP CCOC(=O)C1(C)CC([NH2+]CCC[NH+](C)C)C1 ZINC000601261382 347041190 /nfs/dbraw/zinc/04/11/90/347041190.db2.gz PTEOQTHFMYHTFF-UHFFFAOYSA-N 2 0 242.363 1.260 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC000132109970 344275151 /nfs/dbraw/zinc/27/51/51/344275151.db2.gz HMCCVLHDCBCDRD-MCIONIFRSA-N 2 0 238.375 1.769 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@H]2CCCC[C@H]2O)C1 ZINC000328453351 344298419 /nfs/dbraw/zinc/29/84/19/344298419.db2.gz DQZDSIFVFSQFJH-UMSGYPCISA-N 2 0 226.364 1.207 20 0 BDADRP COc1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000093210564 344311980 /nfs/dbraw/zinc/31/19/80/344311980.db2.gz YUCVWQMZSVBDOI-RYUDHWBXSA-N 2 0 235.331 1.450 20 0 BDADRP CC(C)C[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)[NH+](C)C ZINC000093210717 344312053 /nfs/dbraw/zinc/31/20/53/344312053.db2.gz DDQXVMQNKOILGM-BFHYXJOUSA-N 2 0 241.423 1.822 20 0 BDADRP C[C@H](C[NH+]1CCCCC1)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000093214335 344312382 /nfs/dbraw/zinc/31/23/82/344312382.db2.gz QFJPMOUPCFTOPQ-RDBSUJKOSA-N 2 0 239.407 1.720 20 0 BDADRP COC(=O)CCCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000600699736 344359618 /nfs/dbraw/zinc/35/96/18/344359618.db2.gz CQNIZDPWNRHACN-VXGBXAGGSA-N 2 0 242.363 1.389 20 0 BDADRP COC(=O)CCCC[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000600712511 344361761 /nfs/dbraw/zinc/36/17/61/344361761.db2.gz XSYCTHCLANPDNO-MNOVXSKESA-N 2 0 228.336 1.141 20 0 BDADRP COC(=O)CCCC[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000600712243 344361824 /nfs/dbraw/zinc/36/18/24/344361824.db2.gz VGWQDZVQJLVPTH-GFCCVEGCSA-N 2 0 242.363 1.533 20 0 BDADRP CCOC[C@@H](C)[NH2+]CCCC[NH+](C)C ZINC000132995924 344310252 /nfs/dbraw/zinc/31/02/52/344310252.db2.gz BDJDCBXGGOYPLG-LLVKDONJSA-N 2 0 202.342 1.343 20 0 BDADRP C[C@H]1C[C@H]([NH3+])CN1CCCOc1ccccc1 ZINC000385202736 344376341 /nfs/dbraw/zinc/37/63/41/344376341.db2.gz BSNHYMRLSSKYCZ-STQMWFEESA-N 2 0 234.343 1.877 20 0 BDADRP Cc1cn2ccc(NC(=O)CN(C)C)cc2n1 ZINC000620650428 344436418 /nfs/dbraw/zinc/43/64/18/344436418.db2.gz WUYLCJGBLJHYAP-UHFFFAOYSA-N 2 0 232.287 1.143 20 0 BDADRP CN1CCC([NH2+]CCc2ccsc2)CC1 ZINC000042598619 344460375 /nfs/dbraw/zinc/46/03/75/344460375.db2.gz AEGSNFRYQCBHIX-UHFFFAOYSA-N 2 0 224.373 1.974 20 0 BDADRP CCC[C@H]([NH3+])C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000037001333 344485165 /nfs/dbraw/zinc/48/51/65/344485165.db2.gz JTMOWPVPXGWPLH-NEPJUHHUSA-N 2 0 243.395 1.206 20 0 BDADRP CCOCC(C)(C)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000381211332 344485677 /nfs/dbraw/zinc/48/56/77/344485677.db2.gz DZCKFNRMGXMCKP-RYUDHWBXSA-N 2 0 228.380 1.909 20 0 BDADRP CCCCOCC[N@H+](C)C1CC[NH2+]CC1 ZINC000049264097 344601429 /nfs/dbraw/zinc/60/14/29/344601429.db2.gz LEJIPASDLXZMIJ-UHFFFAOYSA-N 2 0 214.353 1.487 20 0 BDADRP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)CC)[C@@H]1CC1(C)C ZINC000574288782 344732615 /nfs/dbraw/zinc/73/26/15/344732615.db2.gz UDHOXMHPJQYZFP-AGIUHOORSA-N 2 0 242.407 1.713 20 0 BDADRP CC[C@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)CCS1 ZINC000158591960 344689484 /nfs/dbraw/zinc/68/94/84/344689484.db2.gz UXQJLXYQKHBJLG-MNOVXSKESA-N 2 0 214.378 1.423 20 0 BDADRP C[N@H+]1CC=C(C[NH2+]C/C=C/c2ccncc2)CC1 ZINC000487568355 530047481 /nfs/dbraw/zinc/04/74/81/530047481.db2.gz COIHYTIZDRXAAF-NSCUHMNNSA-N 2 0 243.354 1.946 20 0 BDADRP C1CC1N1CC[C@@H]([NH2+]C2CCSCC2)C1 ZINC000044685881 187293338 /nfs/dbraw/zinc/29/33/38/187293338.db2.gz JAAZQUWLFQWCHX-LLVKDONJSA-N 2 0 226.389 1.708 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CCC2CC(O)C2)[C@H](C)C1 ZINC000432422009 192369667 /nfs/dbraw/zinc/36/96/67/192369667.db2.gz RSIXNXWAEBBIJZ-RYSNWHEDSA-N 2 0 240.391 1.467 20 0 BDADRP C(CN1CC[N@@H+]2CCCC[C@@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000227380496 187297234 /nfs/dbraw/zinc/29/72/34/187297234.db2.gz YTWZVWYPEHKWGM-UONOGXRCSA-N 2 0 237.391 1.156 20 0 BDADRP CC(C)(CCO)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000227909205 187298044 /nfs/dbraw/zinc/29/80/44/187298044.db2.gz PUBRMDGCJPRNHF-RYUDHWBXSA-N 2 0 228.380 1.502 20 0 BDADRP CCc1nc(CN(C)CCCn2ccnc2)no1 ZINC000124393149 345040371 /nfs/dbraw/zinc/04/03/71/345040371.db2.gz NMFWLMPBBUKHOD-UHFFFAOYSA-N 2 0 249.318 1.351 20 0 BDADRP C[C@H](Cn1ccnc1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156009998 345117216 /nfs/dbraw/zinc/11/72/16/345117216.db2.gz YKLGLHWILXGARU-HZSPNIEDSA-N 2 0 248.374 1.488 20 0 BDADRP CC(C)[C@H](C[NH3+])CN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000634990786 345173567 /nfs/dbraw/zinc/17/35/67/345173567.db2.gz CMBDKVFGYJQGAF-FRRDWIJNSA-N 2 0 227.396 1.277 20 0 BDADRP C[NH2+]C[C@@H]1CCCN(C[C@H](C[NH3+])C(C)C)C1 ZINC000634991047 345174191 /nfs/dbraw/zinc/17/41/91/345174191.db2.gz NXWSPEQWVHFPEK-STQMWFEESA-N 2 0 227.396 1.149 20 0 BDADRP CC[N@H+](CCN[C@@H]1CC[NH+](C)[C@H](C)C1)C(C)C ZINC000156572650 345180889 /nfs/dbraw/zinc/18/08/89/345180889.db2.gz BMGOUZFZERTTDL-ZIAGYGMSSA-N 2 0 241.423 1.789 20 0 BDADRP C([N@@H+]1CCC[C@H]2COCC[C@@H]21)C12CC(C1)C[NH2+]2 ZINC000634994788 345182936 /nfs/dbraw/zinc/18/29/36/345182936.db2.gz MSLIWDIFYUGIRE-QPPOZKHWSA-N 2 0 236.359 1.239 20 0 BDADRP CC(C)[C@@H](C[NH3+])C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000634995185 345183587 /nfs/dbraw/zinc/18/35/87/345183587.db2.gz XSWIXWLLBZINGB-ZDUSSCGKSA-N 3 0 239.407 1.293 20 0 BDADRP C(N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)C12CC(C1)C[NH2+]2 ZINC000634995947 345185735 /nfs/dbraw/zinc/18/57/35/345185735.db2.gz UUNYWYZXBQEXBJ-PIOWNMBXSA-N 2 0 249.402 1.202 20 0 BDADRP C[C@H]([NH2+]CCN1CCCC[C@H]1C)[C@@H]1CCOC1 ZINC000156607023 345191156 /nfs/dbraw/zinc/19/11/56/345191156.db2.gz XWLTXDJALJXINX-HZSPNIEDSA-N 2 0 240.391 1.875 20 0 BDADRP CO[C@H]1CN(CC23CC(C2)C[NH2+]3)CC[C@H]1C ZINC000634993827 345192217 /nfs/dbraw/zinc/19/22/17/345192217.db2.gz HLRPRWYXPGDLMQ-IGJPJIBNSA-N 2 0 224.348 1.095 20 0 BDADRP C([N@@H+]1CC[C@H]2CCC[C@H]21)C12CC(C1)C[NH2+]2 ZINC000634994245 345192855 /nfs/dbraw/zinc/19/28/55/345192855.db2.gz WSXAYJPWMGFTFK-QZQSVVMZSA-N 2 0 206.333 1.613 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CCCCC[C@H]([NH3+])C1 ZINC000634997224 345194507 /nfs/dbraw/zinc/19/45/07/345194507.db2.gz GTNXFTRORNAJDE-STQMWFEESA-N 2 0 227.396 1.563 20 0 BDADRP C[C@@]1(CN2CCCCC[C@H]([NH3+])C2)CC[NH2+]C1 ZINC000634997807 345196062 /nfs/dbraw/zinc/19/60/62/345196062.db2.gz SZFXNGSFGKKBPB-QWHCGFSZSA-N 2 0 225.380 1.189 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@H]2CCCn3nccc32)CC1 ZINC000635001939 345203537 /nfs/dbraw/zinc/20/35/37/345203537.db2.gz JNMYLHBSQQAQHQ-BPCQOVAHSA-N 2 0 248.374 1.825 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000635003075 345205806 /nfs/dbraw/zinc/20/58/06/345205806.db2.gz FPNDGGXNKDZKEX-TUAOUCFPSA-N 2 0 214.353 1.255 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])[C@@H](C)O1 ZINC000635003428 345206280 /nfs/dbraw/zinc/20/62/80/345206280.db2.gz DBQZFBJSMYEFNR-LBELIVKGSA-N 2 0 226.364 1.802 20 0 BDADRP C[C@@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)[C@@H]1CCC[NH2+]1 ZINC000635003626 345206361 /nfs/dbraw/zinc/20/63/61/345206361.db2.gz AMFWASZVKJKUDU-UPJWGTAASA-N 2 0 239.407 1.495 20 0 BDADRP [NH3+]C[C@H]1CC[C@H]([NH2+]C2CCC(O)CC2)CC1 ZINC000635003366 345206386 /nfs/dbraw/zinc/20/63/86/345206386.db2.gz CNJSVCWLXPBUDX-KETTVSFTSA-N 2 0 226.364 1.397 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccnn1C ZINC000635004598 345208568 /nfs/dbraw/zinc/20/85/68/345208568.db2.gz JGMAMAFDTHGWGE-SRVKXCTJSA-N 2 0 236.363 1.588 20 0 BDADRP C[C@@H]1COCC[C@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635004733 345208606 /nfs/dbraw/zinc/20/86/06/345208606.db2.gz KEIWBVIYDMTNKN-FDYHWXHSSA-N 2 0 226.364 1.519 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000635004968 345209470 /nfs/dbraw/zinc/20/94/70/345209470.db2.gz RRPZYXIZRMQRQK-IGQOVBAYSA-N 2 0 240.391 1.515 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000635006029 345209935 /nfs/dbraw/zinc/20/99/35/345209935.db2.gz XFTSEWXDMVMKTB-GARJFASQSA-N 2 0 202.342 1.253 20 0 BDADRP [NH3+]C[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000635006877 345211113 /nfs/dbraw/zinc/21/11/13/345211113.db2.gz UEYRLZAHCOTNPB-JZSPREIISA-N 3 0 237.391 1.377 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635007097 345211142 /nfs/dbraw/zinc/21/11/42/345211142.db2.gz ABHBAEYTAPHYHD-TUAOUCFPSA-N 2 0 228.380 1.778 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1cnn(C)c1 ZINC000635006736 345211528 /nfs/dbraw/zinc/21/15/28/345211528.db2.gz NCTULFGZYOFNJK-GVXVVHGQSA-N 2 0 236.363 1.588 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)[C@H]1CCOC1 ZINC000635010214 345212889 /nfs/dbraw/zinc/21/28/89/345212889.db2.gz JEVFZKJITWTNSF-AVGNSLFASA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H]1OCC[C@H]1[NH2+]CC[C@H]([NH3+])Cc1ccccc1 ZINC000635010413 345212904 /nfs/dbraw/zinc/21/29/04/345212904.db2.gz ZXIGGBAUOITVPX-AEGPPILISA-N 2 0 248.370 1.714 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1cnccc1N ZINC000635007733 345214933 /nfs/dbraw/zinc/21/49/33/345214933.db2.gz XNOCSLDUKSXTQT-IJLUTSLNSA-N 3 0 248.374 1.662 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)[C@H]1CCC[NH2+]1 ZINC000635008058 345215650 /nfs/dbraw/zinc/21/56/50/345215650.db2.gz YPUBBINCOJAVOA-ZDEQEGDKSA-N 2 0 225.380 1.234 20 0 BDADRP [NH3+]C[C@H]1CC[C@H]([NH2+]C2CCSCC2)CC1 ZINC000635009281 345216958 /nfs/dbraw/zinc/21/69/58/345216958.db2.gz XNIIFCYEIFVAMJ-XYPYZODXSA-N 2 0 228.405 1.989 20 0 BDADRP CCC(O)(CC)C[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000626111413 345271622 /nfs/dbraw/zinc/27/16/22/345271622.db2.gz NNARTVBXFZTAMJ-ZDUSSCGKSA-N 2 0 242.407 1.954 20 0 BDADRP CC(C)[NH2+]CCC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000132004274 345313156 /nfs/dbraw/zinc/31/31/56/345313156.db2.gz JUGSZZAVFDJJAM-GFCCVEGCSA-N 2 0 243.395 1.206 20 0 BDADRP CCSCC[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000158566901 345349652 /nfs/dbraw/zinc/34/96/52/345349652.db2.gz KCBYDEIZIMXUDC-NSHDSACASA-N 2 0 216.394 1.671 20 0 BDADRP CCSCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000158579099 345351747 /nfs/dbraw/zinc/35/17/47/345351747.db2.gz NEFYHUHYLDXJSM-GHMZBOCLSA-N 2 0 216.394 1.799 20 0 BDADRP CCOCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158829356 345380792 /nfs/dbraw/zinc/38/07/92/345380792.db2.gz DDQLUMBYAJTCLI-CHWSQXEVSA-N 2 0 226.364 1.439 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)NCC([NH3+])(CC)CC ZINC000449131902 201815115 /nfs/dbraw/zinc/81/51/15/201815115.db2.gz QFDWJCOBDQNRCL-SNVBAGLBSA-N 2 0 229.368 1.008 20 0 BDADRP CSCC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000070184141 345454474 /nfs/dbraw/zinc/45/44/74/345454474.db2.gz XAUUZUSEHHLECS-UHFFFAOYSA-N 2 0 216.394 1.812 20 0 BDADRP C[C@@H]1COCCN1C1CC[NH+](CCCF)CC1 ZINC000562479023 345396534 /nfs/dbraw/zinc/39/65/34/345396534.db2.gz QJGNDFPTISZOGF-GFCCVEGCSA-N 2 0 244.354 1.531 20 0 BDADRP CC(C)N(C)C[C@@H](C)[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000309267331 187308588 /nfs/dbraw/zinc/30/85/88/187308588.db2.gz RIHWXCODHACHMC-JHJVBQTASA-N 2 0 228.380 1.872 20 0 BDADRP CC(C)C[C@H](CN(C)C)[NH2+][C@H](C)CCC[NH3+] ZINC000309463466 187308789 /nfs/dbraw/zinc/30/87/89/187308789.db2.gz SGEQREQWDMSJSA-CHWSQXEVSA-N 2 0 229.412 1.680 20 0 BDADRP C[C@H](NC[C@H]1CCC[N@H+](C)C1)[C@@H]1CCC[NH2+]1 ZINC000400727627 345643757 /nfs/dbraw/zinc/64/37/57/345643757.db2.gz PUUMMYRAYGFCPT-XQQFMLRXSA-N 2 0 225.380 1.058 20 0 BDADRP C[NH+](C)CCCC[NH2+]Cc1ccncc1N ZINC000641712612 362624712 /nfs/dbraw/zinc/62/47/12/362624712.db2.gz MAAYAXGXNAGVFH-UHFFFAOYSA-N 2 0 222.336 1.095 20 0 BDADRP COC(=O)c1cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c[nH]1 ZINC000563135318 323094667 /nfs/dbraw/zinc/09/46/67/323094667.db2.gz JTYQAUFGNSLPIR-DTWKUNHWSA-N 2 0 239.319 1.017 20 0 BDADRP COC[C@H]1CCC[N@@H+]1CCCn1ccnc1 ZINC000678884334 488293343 /nfs/dbraw/zinc/29/33/43/488293343.db2.gz GBOKXRMQQAEFRG-GFCCVEGCSA-N 2 0 223.320 1.384 20 0 BDADRP Cc1cc(N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)cc[nH+]1 ZINC000418991984 192091523 /nfs/dbraw/zinc/09/15/23/192091523.db2.gz FJZZYBHQENVMTH-CHWSQXEVSA-N 2 0 249.358 1.281 20 0 BDADRP C[C@H]1CN(CC[NH3+])CC[C@@]1(C)c1cccc(O)c1 ZINC000034397908 345824398 /nfs/dbraw/zinc/82/43/98/345824398.db2.gz RVQGGVBRVOOXQJ-SWLSCSKDSA-N 2 0 248.370 1.950 20 0 BDADRP Cc1nn(C)cc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000163493593 187360249 /nfs/dbraw/zinc/36/02/49/187360249.db2.gz ZLEKLXWBQOGAES-CMPLNLGQSA-N 2 0 236.363 1.145 20 0 BDADRP C[C@H]1C[C@@H](NC2C[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000307707842 345926489 /nfs/dbraw/zinc/92/64/89/345926489.db2.gz ZVLDAQXNAAUMPE-GXTWGEPZSA-N 2 0 245.370 1.211 20 0 BDADRP CSCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400941373 345932415 /nfs/dbraw/zinc/93/24/15/345932415.db2.gz SOQLCROKLDEOQN-GMTAPVOTSA-N 2 0 214.378 1.327 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCOC[C@@H]1C ZINC000300900133 187312669 /nfs/dbraw/zinc/31/26/69/187312669.db2.gz VZKYISKZYHTMRK-STQMWFEESA-N 2 0 228.380 1.731 20 0 BDADRP CC(C)[C@H](O)CC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000571038341 323104331 /nfs/dbraw/zinc/10/43/31/323104331.db2.gz MNGRVQWCPJJGLA-FRRDWIJNSA-N 2 0 228.380 1.371 20 0 BDADRP C=Cn1cc(C[NH2+]CCC2CC[NH+](C)CC2)cn1 ZINC000194356075 187316473 /nfs/dbraw/zinc/31/64/73/187316473.db2.gz KOIUSBJSUYZCCF-UHFFFAOYSA-N 2 0 248.374 1.805 20 0 BDADRP Cc1nc(CN2C[C@H](C)[N@@H+](C)C[C@@H]2C)[nH]c1C ZINC000628240545 346202519 /nfs/dbraw/zinc/20/25/19/346202519.db2.gz JJEHKQCIBNUJSQ-UWVGGRQHSA-N 2 0 236.363 1.551 20 0 BDADRP Cc1c[nH]c(CN2C[C@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC000628240398 346202683 /nfs/dbraw/zinc/20/26/83/346202683.db2.gz CTIDPDCWUWKPPZ-QWRGUYRKSA-N 2 0 222.336 1.243 20 0 BDADRP Cc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc(C)c1O ZINC000090320166 537956643 /nfs/dbraw/zinc/95/66/43/537956643.db2.gz FHVGQBNQBZQTFC-OKILXGFUSA-N 2 0 246.354 1.660 20 0 BDADRP Cc1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc(C)c1O ZINC000090320167 537956690 /nfs/dbraw/zinc/95/66/90/537956690.db2.gz FHVGQBNQBZQTFC-ZIAGYGMSSA-N 2 0 246.354 1.660 20 0 BDADRP C(C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)[C@@H]1CCOC1 ZINC000334278664 187317341 /nfs/dbraw/zinc/31/73/41/187317341.db2.gz POMUBUSWROSZCU-KGLIPLIRSA-N 2 0 238.375 1.489 20 0 BDADRP CC(C)C[C@@H](C[NH2+]C[C@H]1CCCOC1)N(C)C ZINC000111318101 187317466 /nfs/dbraw/zinc/31/74/66/187317466.db2.gz YHFHRDVCNWOVKH-KGLIPLIRSA-N 2 0 242.407 1.979 20 0 BDADRP CCN(CCO)CC[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000641748681 362677423 /nfs/dbraw/zinc/67/74/23/362677423.db2.gz RNJKQDKMZHMVGP-KGLIPLIRSA-N 2 0 242.407 1.859 20 0 BDADRP CC(C)C[N@H+](C)CCCNC(=O)[C@@H](C)[NH+](C)C ZINC000636119263 346325381 /nfs/dbraw/zinc/32/53/81/346325381.db2.gz QAKURNRJQAXIAS-GFCCVEGCSA-N 2 0 243.395 1.031 20 0 BDADRP CC[C@H](O)[C@H](CC)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000577094467 365810857 /nfs/dbraw/zinc/81/08/57/365810857.db2.gz GJXWKXCYCLXKDQ-VOAKCMCISA-N 2 0 228.380 1.514 20 0 BDADRP CCc1nc(C)c(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)o1 ZINC000641799665 362748375 /nfs/dbraw/zinc/74/83/75/362748375.db2.gz YTUKYOOIXBYMDE-MWLCHTKSSA-N 2 0 237.347 1.715 20 0 BDADRP Cc1noc(CCC[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)n1 ZINC000641800242 362750470 /nfs/dbraw/zinc/75/04/70/362750470.db2.gz AEUAEVUVXUXKEB-UWVGGRQHSA-N 2 0 238.335 1.026 20 0 BDADRP Cc1ncccc1C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641801477 362755272 /nfs/dbraw/zinc/75/52/72/362755272.db2.gz RBOXPXFDNMGOEH-NEPJUHHUSA-N 2 0 219.332 1.605 20 0 BDADRP CO[C@H](C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C)C1CCC1 ZINC000641801551 362756240 /nfs/dbraw/zinc/75/62/40/362756240.db2.gz SEWCYTHWHNMICC-WOPDTQHZSA-N 2 0 226.364 1.517 20 0 BDADRP CCO[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)C1CC1 ZINC000641801981 362758173 /nfs/dbraw/zinc/75/81/73/362758173.db2.gz XFNALPJJFXSNPC-UTUOFQBUSA-N 2 0 226.364 1.517 20 0 BDADRP C[C@@H]1CC[C@H](C[NH3+])N(C[C@H]2CC[NH2+]C2)[C@@H]1C ZINC000641809223 362764147 /nfs/dbraw/zinc/76/41/47/362764147.db2.gz PSTPSTQAIYXORJ-FVCCEPFGSA-N 2 0 225.380 1.044 20 0 BDADRP COC[C@@H](C)C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000187179884 346558942 /nfs/dbraw/zinc/55/89/42/346558942.db2.gz OWUAHAZMVRQQQT-LBPRGKRZSA-N 2 0 228.380 1.543 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[C@H](O)C2)C1 ZINC000300377541 346530962 /nfs/dbraw/zinc/53/09/62/346530962.db2.gz QZTKOVMFJQZVJE-RNJOBUHISA-N 2 0 226.364 1.397 20 0 BDADRP COC[C@H](C)C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000187865714 346635724 /nfs/dbraw/zinc/63/57/24/346635724.db2.gz RDRKDGINXGQPTI-KGLIPLIRSA-N 2 0 242.407 1.979 20 0 BDADRP NC[C@@H]1CCC[N@@H+]1[C@@H]1CCCSC1 ZINC000168798760 346743849 /nfs/dbraw/zinc/74/38/49/346743849.db2.gz RTPXFDFDEAEDNS-VHSXEESVSA-N 2 0 200.351 1.305 20 0 BDADRP Cc1cccc(OCC[NH2+]CC2CC[NH2+]CC2)c1 ZINC000094010388 179168174 /nfs/dbraw/zinc/16/81/74/179168174.db2.gz QBEBZNZBEGSRLV-UHFFFAOYSA-N 2 0 248.370 1.963 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)[C@@H]([NH3+])CC(F)F)cc1 ZINC000582061731 347155854 /nfs/dbraw/zinc/15/58/54/347155854.db2.gz QKODYCDFYXSITD-VIFPVBQESA-N 2 0 243.257 1.066 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+]CC2(C)COC2)C1 ZINC000309634800 347126072 /nfs/dbraw/zinc/12/60/72/347126072.db2.gz JCHVLJCTPACPKI-GFCCVEGCSA-N 2 0 226.364 1.344 20 0 BDADRP Cc1cccc([C@@H](C)[NH2+]C[C@@]2(O)CCN(C)C2)c1 ZINC000358251461 179182408 /nfs/dbraw/zinc/18/24/08/179182408.db2.gz MFVSTBRKOUDHMQ-HIFRSBDPSA-N 2 0 248.370 1.712 20 0 BDADRP C[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCSC2)C1 ZINC000250614569 362812901 /nfs/dbraw/zinc/81/29/01/362812901.db2.gz NOFHWFNVOUCDJN-QWRGUYRKSA-N 2 0 214.378 1.423 20 0 BDADRP CO[C@@H]([C@H](C)[NH2+][C@@H](C)CCC[NH3+])C1CC1 ZINC000388279646 347287637 /nfs/dbraw/zinc/28/76/37/347287637.db2.gz KNUQVEOSEDRFQH-NHCYSSNCSA-N 2 0 214.353 1.517 20 0 BDADRP CCOCCCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000388357847 347354845 /nfs/dbraw/zinc/35/48/45/347354845.db2.gz JWKSNYBVSCBHRQ-NWDGAFQWSA-N 2 0 214.353 1.520 20 0 BDADRP CC[NH2+]Cc1ccccc1NC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000191987288 347365937 /nfs/dbraw/zinc/36/59/37/347365937.db2.gz HGBDALOKLQFSFZ-WDEREUQCSA-N 2 0 249.358 1.718 20 0 BDADRP C[C@H]1CC[C@@H](C[NH+]2CCC(C[NH3+])CC2)O1 ZINC000149749550 347508214 /nfs/dbraw/zinc/50/82/14/347508214.db2.gz KYBUKLZUQGFUCC-JQWIXIFHSA-N 2 0 212.337 1.225 20 0 BDADRP C[N@H+](CCCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000577231796 365893118 /nfs/dbraw/zinc/89/31/18/365893118.db2.gz RCVBLLSWSCTAOV-CHWSQXEVSA-N 3 0 239.407 1.720 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CC(C)(C)C(C)(C)O ZINC000393693609 323151576 /nfs/dbraw/zinc/15/15/76/323151576.db2.gz KDVJLDUSAZAYKV-LLVKDONJSA-N 2 0 230.396 1.891 20 0 BDADRP COC(=O)C(C)(C)[C@H]1CCC[N@H+](CCC[NH3+])C1 ZINC000591272384 347636634 /nfs/dbraw/zinc/63/66/34/347636634.db2.gz FTUUJEJHRDRZNB-NSHDSACASA-N 2 0 242.363 1.246 20 0 BDADRP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cn1 ZINC000252904862 347691902 /nfs/dbraw/zinc/69/19/02/347691902.db2.gz QYMYTJKSHAVKLF-KKUMJFAQSA-N 2 0 245.370 1.949 20 0 BDADRP Cc1ccccc1C[NH+]1CCN(CC[NH3+])CC1 ZINC000019933485 179275283 /nfs/dbraw/zinc/27/52/83/179275283.db2.gz SHEWNHSKTOHYGQ-UHFFFAOYSA-N 2 0 233.359 1.071 20 0 BDADRP C[N@H+](CC1CCOCC1)C[C@]1(C)CC[NH2+]C1 ZINC000082546004 347800671 /nfs/dbraw/zinc/80/06/71/347800671.db2.gz WPEDRHGQTYYNDK-CYBMUJFWSA-N 2 0 226.364 1.344 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)COC)C1 ZINC000151140465 192371139 /nfs/dbraw/zinc/37/11/39/192371139.db2.gz SNOQTMKNSNAEAM-NWDGAFQWSA-N 2 0 214.353 1.343 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCOCC1CCC1 ZINC000577382537 365929416 /nfs/dbraw/zinc/92/94/16/365929416.db2.gz WRCIXKOWMOJINE-WDEREUQCSA-N 2 0 214.353 1.519 20 0 BDADRP CC(C)[NH2+]CC(=O)Nc1ccc(C[NH3+])cc1 ZINC000577389538 365943009 /nfs/dbraw/zinc/94/30/09/365943009.db2.gz BSTGMYFOLGDDMV-UHFFFAOYSA-N 2 0 221.304 1.082 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH2+]CC2)CN1C1CC1 ZINC000577383097 365940936 /nfs/dbraw/zinc/94/09/36/365940936.db2.gz SNNULEPBJWXTPW-DGCLKSJQSA-N 3 0 237.391 1.201 20 0 BDADRP CC[C@H](C)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000054471067 348022271 /nfs/dbraw/zinc/02/22/71/348022271.db2.gz LMYNKHGLVFFRSN-RYUDHWBXSA-N 2 0 214.353 1.079 20 0 BDADRP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000594918382 348153242 /nfs/dbraw/zinc/15/32/42/348153242.db2.gz QSTGMFCHEWQPSO-WRWGMCAJSA-N 2 0 242.363 1.114 20 0 BDADRP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000594918379 348153325 /nfs/dbraw/zinc/15/33/25/348153325.db2.gz QSTGMFCHEWQPSO-DDHJBXDOSA-N 2 0 242.363 1.114 20 0 BDADRP C[C@H]1CN(CCOCC(F)(F)F)CC[C@@H]1[NH3+] ZINC000082627643 348189528 /nfs/dbraw/zinc/18/95/28/348189528.db2.gz CDYANNGZPRJCOK-IUCAKERBSA-N 2 0 240.269 1.234 20 0 BDADRP Cc1ncsc1CN(C)C[C@@]1(C)CC[NH2+]C1 ZINC000082633623 348199735 /nfs/dbraw/zinc/19/97/35/348199735.db2.gz LVBXPJDRMMDYKF-LBPRGKRZSA-N 2 0 239.388 1.883 20 0 BDADRP Cc1cc(N[C@@H]2CC[NH2+][C@H](C)C2)nc(C)n1 ZINC000235390495 490157265 /nfs/dbraw/zinc/15/72/65/490157265.db2.gz HTJMZZDVKOXORD-LDYMZIIASA-N 2 0 220.320 1.646 20 0 BDADRP CC[NH+](CC)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000669382523 538002324 /nfs/dbraw/zinc/00/23/24/538002324.db2.gz MDNSJJROFQFWNT-VXGBXAGGSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H]1CC[C@@H](CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)O1 ZINC000251569683 362887157 /nfs/dbraw/zinc/88/71/57/362887157.db2.gz BQLFTVGIXYPYOE-NDBYEHHHSA-N 2 0 224.348 1.380 20 0 BDADRP COC[C@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)OC ZINC000623488010 362911929 /nfs/dbraw/zinc/91/19/29/362911929.db2.gz DRSOOGCEJVNYBN-NEPJUHHUSA-N 2 0 244.379 1.110 20 0 BDADRP C[C@@H]([NH2+]C[C@@H](C)C[C@H](C)O)[C@H]1CCCC[NH2+]1 ZINC000398564310 323186667 /nfs/dbraw/zinc/18/66/67/323186667.db2.gz NGNURYYVFSOICH-WUHRBBMRSA-N 2 0 228.380 1.514 20 0 BDADRP CC(C)[N@H+](CC[C@H]1CCC[NH+]1C)[C@H]1CCOC1 ZINC000361414747 535074490 /nfs/dbraw/zinc/07/44/90/535074490.db2.gz LPXFHXUHBTXAAZ-KGLIPLIRSA-N 2 0 240.391 1.970 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC[C@@H](O)C2)CC1(C)C ZINC000623505328 362928951 /nfs/dbraw/zinc/92/89/51/362928951.db2.gz YVUUJRUZDGYRDN-RWMBFGLXSA-N 2 0 240.391 1.610 20 0 BDADRP CSCC1(CC[NH2+][C@H](C)C2C[NH2+]C2)CC1 ZINC000596650228 348605089 /nfs/dbraw/zinc/60/50/89/348605089.db2.gz JWCMFACRSPMHLI-SNVBAGLBSA-N 2 0 228.405 1.717 20 0 BDADRP CCC[N@H+](CC)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000669383810 538012319 /nfs/dbraw/zinc/01/23/19/538012319.db2.gz YKPMPYOSZQSSML-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP C([NH2+][C@H]1CCCOC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000070013464 490197400 /nfs/dbraw/zinc/19/74/00/490197400.db2.gz FUMLCSKGSILTDK-RYUDHWBXSA-N 2 0 224.348 1.239 20 0 BDADRP C[C@H]1CN(C)CC[C@@H]1[NH2+]C1CCC(CO)CC1 ZINC000361982973 490228520 /nfs/dbraw/zinc/22/85/20/490228520.db2.gz SEUVRQFXMIAMEB-ABXWRUBCSA-N 2 0 240.391 1.467 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000250627782 349177059 /nfs/dbraw/zinc/17/70/59/349177059.db2.gz QNHGDAWSKDRIJP-HZSPNIEDSA-N 3 0 239.407 1.435 20 0 BDADRP CCSCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000159236487 349155905 /nfs/dbraw/zinc/15/59/05/349155905.db2.gz UPCVDEQKIIOHRJ-FOSCPWQOSA-N 2 0 228.405 1.954 20 0 BDADRP CC[C@@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)OC ZINC000623528546 362946865 /nfs/dbraw/zinc/94/68/65/362946865.db2.gz SMZPSWIXISAJPH-RYUDHWBXSA-N 2 0 228.380 1.874 20 0 BDADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)COC)C1 ZINC000121866433 350014221 /nfs/dbraw/zinc/01/42/21/350014221.db2.gz GLDMTLVYEQXYEV-RYUDHWBXSA-N 2 0 214.353 1.343 20 0 BDADRP C[NH+](C)C[C@@](C)(O)C[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000131493261 191013712 /nfs/dbraw/zinc/01/37/12/191013712.db2.gz UNPQROIXXOLDJX-OCCSQVGLSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)CO1 ZINC000402208863 350043842 /nfs/dbraw/zinc/04/38/42/350043842.db2.gz IXEAMSKMEXGYGD-NJMOYASZSA-N 2 0 226.364 1.482 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCOC[C@H]2C)CC1 ZINC000302165465 350049833 /nfs/dbraw/zinc/04/98/33/350049833.db2.gz ZBJCGIBJCCGIPQ-TZMCWYRMSA-N 2 0 240.391 1.733 20 0 BDADRP CC(C)CCOCCN(C)[C@H]1CC[NH2+]C1 ZINC000070896377 350071110 /nfs/dbraw/zinc/07/11/10/350071110.db2.gz AFIFLHITHZUVLI-LBPRGKRZSA-N 2 0 214.353 1.343 20 0 BDADRP C[C@H](CO)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000219291877 350120392 /nfs/dbraw/zinc/12/03/92/350120392.db2.gz RYHYEUUPHVLTEB-FUDCBSFHSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@H]([NH2+]CC(C)(C)N(C)C)[C@H]1CCOC1 ZINC000132047094 191023782 /nfs/dbraw/zinc/02/37/82/191023782.db2.gz LWLDFWBJFUXQLB-QWRGUYRKSA-N 2 0 214.353 1.341 20 0 BDADRP C[C@@H]([NH2+]CC(C)(C)N(C)C)[C@@H]1CCOC1 ZINC000132046894 191024291 /nfs/dbraw/zinc/02/42/91/191024291.db2.gz LWLDFWBJFUXQLB-GHMZBOCLSA-N 2 0 214.353 1.341 20 0 BDADRP C[C@@H]([NH2+]CCO[C@@H]1CCCC[C@H]1C)C1C[NH2+]C1 ZINC000422706159 192436148 /nfs/dbraw/zinc/43/61/48/192436148.db2.gz DRWIXTBMJHJEPP-YRGRVCCFSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCOC2)CC[N@@H+]1C ZINC000132480553 191031796 /nfs/dbraw/zinc/03/17/96/191031796.db2.gz YMZJWUJAHKSKON-FRRDWIJNSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2(CCO)CC2)CC[N@@H+]1C ZINC000133121601 191037900 /nfs/dbraw/zinc/03/79/00/191037900.db2.gz HWLMYZLTJWUJPR-NEPJUHHUSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H]1CC[N@H+](CCN[C@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000532531149 323273964 /nfs/dbraw/zinc/27/39/64/323273964.db2.gz SBQRJQNMRXEMOI-RDBSUJKOSA-N 2 0 239.407 1.258 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@H](C)C1 ZINC000309210525 350191381 /nfs/dbraw/zinc/19/13/81/350191381.db2.gz DLCRYDDHGKTZIW-UPJWGTAASA-N 2 0 228.380 1.277 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@@H](C)C1 ZINC000309210520 350191428 /nfs/dbraw/zinc/19/14/28/350191428.db2.gz DLCRYDDHGKTZIW-AGIUHOORSA-N 2 0 228.380 1.277 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000083525769 350236421 /nfs/dbraw/zinc/23/64/21/350236421.db2.gz LCMICLSKRHQQCU-YPMHNXCESA-N 2 0 226.364 1.615 20 0 BDADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCC[NH+](C)C ZINC000422747159 192451323 /nfs/dbraw/zinc/45/13/23/192451323.db2.gz PGZLOTPQWOZKIP-HIFRSBDPSA-N 2 0 249.402 1.486 20 0 BDADRP CCN(C)C[C@H](O)C[N@H+](C)[C@H](C)CCSC ZINC000309292291 350256047 /nfs/dbraw/zinc/25/60/47/350256047.db2.gz WBXYJNZGBOGEJE-NEPJUHHUSA-N 2 0 248.436 1.372 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@@H](O)CCC(C)C)CC1 ZINC000572869928 323316710 /nfs/dbraw/zinc/31/67/10/323316710.db2.gz YILPXHIPSPWDKY-AWEZNQCLSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1NCC1([NH+](C)C)CCCC1 ZINC000422781330 192465644 /nfs/dbraw/zinc/46/56/44/192465644.db2.gz ILYYKHBRWIFDEW-OLZOCXBDSA-N 2 0 239.407 1.448 20 0 BDADRP CCC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)CC)C1CCC1 ZINC000325109076 350313862 /nfs/dbraw/zinc/31/38/62/350313862.db2.gz YWDTZKXAJAQAPG-KGLIPLIRSA-N 2 0 242.407 1.857 20 0 BDADRP Cc1ncsc1CC[N@@H+](C)C1CC[NH2+]CC1 ZINC000050285414 180306810 /nfs/dbraw/zinc/30/68/10/180306810.db2.gz SVASOBLWNLHBAN-UHFFFAOYSA-N 2 0 239.388 1.678 20 0 BDADRP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1cnn(C)c1 ZINC000422783602 192466049 /nfs/dbraw/zinc/46/60/49/192466049.db2.gz NCTULFGZYOFNJK-XSRFYTQQSA-N 2 0 236.363 1.588 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCC[C@H]2O)CC[C@H]1[NH3+] ZINC000328218634 350393557 /nfs/dbraw/zinc/39/35/57/350393557.db2.gz XRXZPDBSYHRCPX-YVECIDJPSA-N 2 0 226.364 1.207 20 0 BDADRP Cc1ncsc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271869031 180320878 /nfs/dbraw/zinc/32/08/78/180320878.db2.gz KCCHKDPFAYBNFY-UHFFFAOYSA-N 2 0 237.372 1.803 20 0 BDADRP Cc1nn(C)c(C)c1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000228152825 180337114 /nfs/dbraw/zinc/33/71/14/180337114.db2.gz KCICMBJTOVTUGS-JOYOIKCWSA-N 2 0 236.363 1.206 20 0 BDADRP Cc1nn(C)c(C)c1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000228065387 180338449 /nfs/dbraw/zinc/33/84/49/180338449.db2.gz QQZHHTURQJYNBZ-SKDRFNHKSA-N 2 0 236.363 1.206 20 0 BDADRP Cc1nn(C)c(C)c1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000093216518 180339946 /nfs/dbraw/zinc/33/99/46/180339946.db2.gz MLZOHOGGXYBRTJ-NWDGAFQWSA-N 2 0 236.363 1.396 20 0 BDADRP Cc1nn(C)c(C)c1C[NH2+]CCCC[NH+](C)C ZINC000045598317 180341104 /nfs/dbraw/zinc/34/11/04/180341104.db2.gz XYNJYMRZAKODEC-UHFFFAOYSA-N 2 0 238.379 1.468 20 0 BDADRP CCN1CCC[C@H]1C[NH2+][C@H](C)CCC[NH3+] ZINC000336714668 350467052 /nfs/dbraw/zinc/46/70/52/350467052.db2.gz WCEHANFGLBSSDC-NEPJUHHUSA-N 3 0 213.369 1.188 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)[C@@H](C)O1 ZINC000384685372 350463519 /nfs/dbraw/zinc/46/35/19/350463519.db2.gz BKEDZRHQPWZDSW-UPJWGTAASA-N 2 0 240.391 1.874 20 0 BDADRP Cn1cc(C[NH2+]CC2(C)CC[NH+](C)CC2)cn1 ZINC000227327962 350492203 /nfs/dbraw/zinc/49/22/03/350492203.db2.gz TTZKXFKAEZWWDC-UHFFFAOYSA-N 2 0 236.363 1.242 20 0 BDADRP CO[C@@H]([C@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000388280020 362961780 /nfs/dbraw/zinc/96/17/80/362961780.db2.gz LQZGPQZSFZXNBV-SYEHKZFSSA-N 2 0 226.364 1.659 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2COCC2(C)C)CC1(C)C ZINC000623541682 362959505 /nfs/dbraw/zinc/95/95/05/362959505.db2.gz TWFZMRDYPGWJTN-NWDGAFQWSA-N 2 0 240.391 1.874 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)C2CCOCC2)C1 ZINC000163315883 350517189 /nfs/dbraw/zinc/51/71/89/350517189.db2.gz DLNCTJLCDZCIND-QWHCGFSZSA-N 2 0 240.391 1.733 20 0 BDADRP C[N@H+](CCC[NH3+])Cc1c[nH]nc1-c1cccnc1 ZINC000571045688 350693275 /nfs/dbraw/zinc/69/32/75/350693275.db2.gz CATRKLRELAWBNL-UHFFFAOYSA-N 2 0 245.330 1.252 20 0 BDADRP C[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCSC2)C1 ZINC000250563172 350882055 /nfs/dbraw/zinc/88/20/55/350882055.db2.gz CVVQDPHRRJZZGI-UWVGGRQHSA-N 2 0 200.351 1.033 20 0 BDADRP CSCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000086494473 351163432 /nfs/dbraw/zinc/16/34/32/351163432.db2.gz SIMPFOVIOYIVMQ-TUAOUCFPSA-N 2 0 228.405 1.860 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000223646585 535159927 /nfs/dbraw/zinc/15/99/27/535159927.db2.gz XEOFSBYGMBMROK-UMSGYPCISA-N 2 0 228.380 1.322 20 0 BDADRP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])ccn1 ZINC000391121430 259419971 /nfs/dbraw/zinc/41/99/71/259419971.db2.gz JKWXQCRMWQFJPG-CHWSQXEVSA-N 2 0 219.332 1.607 20 0 BDADRP CC(C)[NH+]1CCC(O)(C[NH2+]C2CCCC2)CC1 ZINC000344628719 535163772 /nfs/dbraw/zinc/16/37/72/535163772.db2.gz IJCHDGGAJBNHMO-UHFFFAOYSA-N 2 0 240.391 1.754 20 0 BDADRP CC[NH2+]Cc1ccccc1NC(=O)C[C@H](C)[NH3+] ZINC000637808892 351645444 /nfs/dbraw/zinc/64/54/44/351645444.db2.gz MFVWSGWXELWEMR-JTQLQIEISA-N 2 0 235.331 1.472 20 0 BDADRP CC(C)(O)CC[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000674231302 487527589 /nfs/dbraw/zinc/52/75/89/487527589.db2.gz LNIIUPWOQCRKCQ-LBPRGKRZSA-N 2 0 237.347 1.681 20 0 BDADRP Cc1cnc(CC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cn1 ZINC000577739767 366049467 /nfs/dbraw/zinc/04/94/67/366049467.db2.gz KPLCOFNCIDCPEY-TZMCWYRMSA-N 2 0 248.374 1.435 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000577708956 366041258 /nfs/dbraw/zinc/04/12/58/366041258.db2.gz MDHQSQOJYKCPTA-MELADBBJSA-N 3 0 239.407 1.354 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)C2=CC[C@@H]([NH3+])C2)cc1 ZINC000637856765 351716730 /nfs/dbraw/zinc/71/67/30/351716730.db2.gz QZNBQHMMVMDLMQ-JOYOIKCWSA-N 2 0 245.326 1.692 20 0 BDADRP C[C@@H]1CN(C2C[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000307273618 351826884 /nfs/dbraw/zinc/82/68/84/351826884.db2.gz OMSLHDLMYOARAV-CYBMUJFWSA-N 2 0 245.370 1.165 20 0 BDADRP [NH3+]C[C@H](N[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000414854745 351905776 /nfs/dbraw/zinc/90/57/76/351905776.db2.gz VJBHTNWMGASQNG-OLZOCXBDSA-N 2 0 225.380 1.236 20 0 BDADRP CC(C)C[C@@H](CN)[NH2+]C[C@@H]1CCCOC1 ZINC000414854742 351906030 /nfs/dbraw/zinc/90/60/30/351906030.db2.gz VIXIJBABMHZXFU-RYUDHWBXSA-N 2 0 214.353 1.376 20 0 BDADRP CC[C@](C)(C[N@@H+]1CC[C@H](C[NH+](C)C)C1)OC ZINC000638077617 351950990 /nfs/dbraw/zinc/95/09/90/351950990.db2.gz VTFWXGXZSBTGTF-CHWSQXEVSA-N 2 0 228.380 1.685 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000638197410 352059531 /nfs/dbraw/zinc/05/95/31/352059531.db2.gz JOMMECPTMKDSOO-UTUOFQBUSA-N 2 0 241.379 1.136 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)C[C@H](C)[NH3+])cc1 ZINC000638257674 352100780 /nfs/dbraw/zinc/10/07/80/352100780.db2.gz ZHOZBHVQTUTJFK-VIFPVBQESA-N 2 0 221.304 1.082 20 0 BDADRP CCN1CCC[C@H]1C[NH2+]C1CC(n2cccn2)C1 ZINC000638281629 352116197 /nfs/dbraw/zinc/11/61/97/352116197.db2.gz SZCWXZKINXNFNN-MOKVOYLWSA-N 2 0 248.374 1.661 20 0 BDADRP C[N@H+](CC(=O)NC(C)(C)CC[NH3+])CC(C)(C)C ZINC000638356246 352168851 /nfs/dbraw/zinc/16/88/51/352168851.db2.gz ZBBOELPWFVYZCD-UHFFFAOYSA-N 2 0 243.395 1.208 20 0 BDADRP Cc1ccc(C[NH2+]CC2(C)CC[NH2+]CC2)nc1 ZINC000414900223 352176376 /nfs/dbraw/zinc/17/63/76/352176376.db2.gz IAJQEORZZCWHKC-UHFFFAOYSA-N 2 0 233.359 1.869 20 0 BDADRP CC[NH2+][C@H](C)C(=O)NCc1ccccc1C[NH2+]C ZINC000638385072 352195101 /nfs/dbraw/zinc/19/51/01/352195101.db2.gz IQSSTNILALDWCX-LLVKDONJSA-N 2 0 249.358 1.020 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(CO)cc2)C1 ZINC000630076697 363169580 /nfs/dbraw/zinc/16/95/80/363169580.db2.gz NCMDJIBMTCBVSR-GASCZTMLSA-N 2 0 248.370 1.609 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+]CCC[C@@H]1CCO1 ZINC000638465786 352277750 /nfs/dbraw/zinc/27/77/50/352277750.db2.gz GIIBNNNGHZYZPQ-VXGBXAGGSA-N 2 0 214.353 1.485 20 0 BDADRP C[C@H](C[NH3+])C(=O)N1CCCc2cccc(C[NH3+])c21 ZINC000638543699 352373984 /nfs/dbraw/zinc/37/39/84/352373984.db2.gz OBQYFWUUIDLNPQ-SNVBAGLBSA-N 2 0 247.342 1.019 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@H]1CC1(F)F ZINC000638566104 352391529 /nfs/dbraw/zinc/39/15/29/352391529.db2.gz AEVFHIONJDOJLJ-GXSJLCMTSA-N 2 0 232.318 1.962 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)CS1 ZINC000252162581 363187623 /nfs/dbraw/zinc/18/76/23/363187623.db2.gz QALNUVGOHTWSRJ-UTUOFQBUSA-N 2 0 228.405 1.812 20 0 BDADRP CCCCOCC[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000336743134 352487741 /nfs/dbraw/zinc/48/77/41/352487741.db2.gz XQTZNADFHUDBSW-RYUDHWBXSA-N 2 0 214.353 1.343 20 0 BDADRP CC[C@@H](C(=O)N1CCCCC[C@@H]([NH3+])C1)[NH+](C)C ZINC000638816419 352997176 /nfs/dbraw/zinc/99/71/76/352997176.db2.gz SCDVPOSZJHWPEF-NEPJUHHUSA-N 2 0 241.379 1.057 20 0 BDADRP CC(C)([NH3+])C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000261797830 535196859 /nfs/dbraw/zinc/19/68/59/535196859.db2.gz OXBZFBJMEHLEMB-UHFFFAOYSA-N 2 0 226.364 1.616 20 0 BDADRP CC[C@H](C)[C@H](C[NH2+]CCN1CC[C@H](C)C1)OC ZINC000638870654 353043057 /nfs/dbraw/zinc/04/30/57/353043057.db2.gz FCPGSHGABVUKES-IHRRRGAJSA-N 2 0 242.407 1.979 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000638938932 353121208 /nfs/dbraw/zinc/12/12/08/353121208.db2.gz ZFSRTLKYYSODQA-KGYLQXTDSA-N 2 0 247.342 1.025 20 0 BDADRP Cc1nn(C)cc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000128258587 188047889 /nfs/dbraw/zinc/04/78/89/188047889.db2.gz JYCVTVSQGIAMRJ-GFCCVEGCSA-N 2 0 236.363 1.289 20 0 BDADRP CC(C)[NH+]1CCC(N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000093210635 188050230 /nfs/dbraw/zinc/05/02/30/188050230.db2.gz KVJMXZGTHHPYBR-JSGCOSHPSA-N 2 0 239.407 1.719 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc2c(c1)OCO2 ZINC000422814672 192478735 /nfs/dbraw/zinc/47/87/35/192478735.db2.gz VWIBEZVZNSAMIS-ZJUUUORDSA-N 2 0 248.326 1.674 20 0 BDADRP CC[NH+](CC)CC(=O)NC1(C[NH3+])CCCCC1 ZINC000638996395 353232339 /nfs/dbraw/zinc/23/23/39/353232339.db2.gz GXLVJVSFWJPCMD-UHFFFAOYSA-N 2 0 241.379 1.106 20 0 BDADRP CC[C@]1(C(=O)NCCC[NH2+]C(C)C)CCC[NH2+]1 ZINC000134367712 538111913 /nfs/dbraw/zinc/11/19/13/538111913.db2.gz CRQCXLJIAFBUCN-CYBMUJFWSA-N 2 0 241.379 1.023 20 0 BDADRP CCC[N@H+](C)CC(=O)NC1(C[NH3+])CCCCC1 ZINC000638997854 353240301 /nfs/dbraw/zinc/24/03/01/353240301.db2.gz YEHSMYAMZYQGJF-UHFFFAOYSA-N 2 0 241.379 1.106 20 0 BDADRP C[C@@H]1C[N@H+](CCc2cccnc2)CC[C@H]1[NH3+] ZINC000251942159 353294026 /nfs/dbraw/zinc/29/40/26/353294026.db2.gz ZRDQUJUQLMWZKT-DGCLKSJQSA-N 2 0 219.332 1.293 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H](OC)C2)C1 ZINC000226541526 538116726 /nfs/dbraw/zinc/11/67/26/538116726.db2.gz QLNCLPXQOMMNJI-MGPQQGTHSA-N 2 0 240.391 1.875 20 0 BDADRP C[NH+]1CCC(C[NH2+]CCC2CCOCC2)CC1 ZINC000393827450 353455757 /nfs/dbraw/zinc/45/57/57/353455757.db2.gz HYJKPCNQAMXWAB-UHFFFAOYSA-N 2 0 240.391 1.735 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1ccccc1 ZINC000405461622 353497209 /nfs/dbraw/zinc/49/72/09/353497209.db2.gz IUROQWWGKUNSIR-NEPJUHHUSA-N 2 0 204.317 1.902 20 0 BDADRP CC(C)C[NH+]1CCC([NH2+][C@H]2CCOC2)CC1 ZINC000165716568 353568754 /nfs/dbraw/zinc/56/87/54/353568754.db2.gz ZATWPLZWNIGHKM-ZDUSSCGKSA-N 2 0 226.364 1.485 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000343413394 353879536 /nfs/dbraw/zinc/87/95/36/353879536.db2.gz IGILVHCTMPJNKS-UTUOFQBUSA-N 2 0 241.379 1.008 20 0 BDADRP C[N@H+](CCC[NH+]1CCCC1)CC[C@@H]1CCOC1 ZINC000343627882 353948251 /nfs/dbraw/zinc/94/82/51/353948251.db2.gz VRKUXSWICMGYET-CQSZACIVSA-N 2 0 240.391 1.831 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@H]1C[NH+](CC)C[C@@H]1C ZINC000344068296 354131877 /nfs/dbraw/zinc/13/18/77/354131877.db2.gz VGXPXKODCKVSGM-IHRRRGAJSA-N 2 0 241.423 1.647 20 0 BDADRP CN(CCC[N@H+](C)CC1CC1)CC[NH+](C)C ZINC000344039783 354104960 /nfs/dbraw/zinc/10/49/60/354104960.db2.gz URRXSGCCRYZVDP-UHFFFAOYSA-N 2 0 227.396 1.212 20 0 BDADRP CCC[NH+](CCC)CCN1CC[NH+](CC)CC1 ZINC000344117094 354142189 /nfs/dbraw/zinc/14/21/89/354142189.db2.gz AZCOPQJTPQAASA-UHFFFAOYSA-N 2 0 241.423 1.746 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000449680522 202000858 /nfs/dbraw/zinc/00/08/58/202000858.db2.gz BZSUCJGPLSCWLN-DGCLKSJQSA-N 2 0 241.379 1.152 20 0 BDADRP CC(C)[C@@H](C[NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000449673607 202001533 /nfs/dbraw/zinc/00/15/33/202001533.db2.gz PHPYHQYMHIUBNA-CYBMUJFWSA-N 2 0 247.342 1.459 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000449686769 202002746 /nfs/dbraw/zinc/00/27/46/202002746.db2.gz YBLCGQASRBGSHC-RYUDHWBXSA-N 2 0 241.379 1.152 20 0 BDADRP C[C@H]1CN(C)C[C@@H]1[NH2+]CCC1CC[NH+](C)CC1 ZINC000344189411 354179011 /nfs/dbraw/zinc/17/90/11/354179011.db2.gz NCFMJVONSIRTNE-JSGCOSHPSA-N 2 0 239.407 1.258 20 0 BDADRP C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1cccc(N(C)C)c1 ZINC000344275168 354197189 /nfs/dbraw/zinc/19/71/89/354197189.db2.gz CONGEBJRZPXQQL-WFASDCNBSA-N 2 0 247.386 1.792 20 0 BDADRP CC[N@H+](CCC[NH+](C)C)C[C@]1(OC)CCOC1 ZINC000639176559 354199841 /nfs/dbraw/zinc/19/98/41/354199841.db2.gz YMYWZHHVGYKMPU-CYBMUJFWSA-N 2 0 244.379 1.066 20 0 BDADRP Cc1c[nH]nc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000334584769 354207206 /nfs/dbraw/zinc/20/72/06/354207206.db2.gz IKHFEGOBAJISCK-ZDUSSCGKSA-N 2 0 248.374 1.682 20 0 BDADRP CCCC[N@H+](C)CCN[C@@H]1C[NH+](CC)C[C@H]1C ZINC000344411686 354251952 /nfs/dbraw/zinc/25/19/52/354251952.db2.gz RIEIFJWDFMXIOF-ZIAGYGMSSA-N 2 0 241.423 1.648 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2=CCCOC2)[C@@H](C)C1 ZINC000344511174 354291534 /nfs/dbraw/zinc/29/15/34/354291534.db2.gz IINBRCMIBPJHGX-GXTWGEPZSA-N 2 0 238.375 1.653 20 0 BDADRP CCC[N@H+](CC)CCN[C@H]1C[NH+](CC)C[C@H]1C ZINC000344772167 354359814 /nfs/dbraw/zinc/35/98/14/354359814.db2.gz MMWWIBIADFUOHD-KGLIPLIRSA-N 2 0 241.423 1.648 20 0 BDADRP C[N@@H+]1CCC[C@]2(CC[NH+](CCn3ccnc3)C2)C1 ZINC000334674111 354416622 /nfs/dbraw/zinc/41/66/22/354416622.db2.gz IWLXLRXZBDQDKA-AWEZNQCLSA-N 2 0 248.374 1.301 20 0 BDADRP CCC[C@@H](C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1)OC ZINC000639204287 354615995 /nfs/dbraw/zinc/61/59/95/354615995.db2.gz QIDBTGDHDJLBFW-UONOGXRCSA-N 2 0 240.391 1.829 20 0 BDADRP CC[C@@H](CO)[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000345877751 354794499 /nfs/dbraw/zinc/79/44/99/354794499.db2.gz CLHHKVVWQBJSEA-RYUDHWBXSA-N 2 0 214.353 1.173 20 0 BDADRP CC[C@H](C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O)c1ccccc1 ZINC000346000973 354836840 /nfs/dbraw/zinc/83/68/40/354836840.db2.gz BVRCKROUPYLCER-BPLDGKMQSA-N 2 0 248.370 1.350 20 0 BDADRP CCOC[C@@H]([NH2+]Cc1cnc[nH]1)C(C)C ZINC000233736891 363406907 /nfs/dbraw/zinc/40/69/07/363406907.db2.gz OIBISRBFROFBOL-LLVKDONJSA-N 2 0 211.309 1.560 20 0 BDADRP CC[C@H](CSC)[NH2+][C@@H](CCC[NH3+])COC ZINC000234016920 363413295 /nfs/dbraw/zinc/41/32/95/363413295.db2.gz GAGDNTGOHCLTSN-MNOVXSKESA-N 2 0 234.409 1.472 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400943895 491069089 /nfs/dbraw/zinc/06/90/89/491069089.db2.gz CDJMHCZHXONSJC-XJFOESAGSA-N 3 0 239.407 1.304 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CC1(C)CC1 ZINC000234779368 363430317 /nfs/dbraw/zinc/43/03/17/363430317.db2.gz JNJRDHGSVSBXMW-JTQLQIEISA-N 2 0 200.326 1.130 20 0 BDADRP CC(C)[C@H]([NH3+])CCN(C)C[C@@H]1CCC[NH2+]C1 ZINC000346685900 355011335 /nfs/dbraw/zinc/01/13/35/355011335.db2.gz QTHPLSZDBOYCKW-CHWSQXEVSA-N 2 0 227.396 1.291 20 0 BDADRP C[NH2+][C@@H]1CCN(C[C@@H](C)CC2CCOCC2)C1 ZINC000346639724 355015167 /nfs/dbraw/zinc/01/51/67/355015167.db2.gz JWNYOEQNTOLTHE-GXTWGEPZSA-N 2 0 240.391 1.733 20 0 BDADRP CC[C@@H]1C[C@H](C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)CCO1 ZINC000346645624 355017165 /nfs/dbraw/zinc/01/71/65/355017165.db2.gz DZMNFRCXGUYGDQ-AAVRWANBSA-N 2 0 240.391 1.861 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@@H]3CCSC3)C2)C1 ZINC000335228629 355070744 /nfs/dbraw/zinc/07/07/44/355070744.db2.gz NVTQVRYIHWWMKJ-QWHCGFSZSA-N 2 0 240.416 1.767 20 0 BDADRP CC(C)(C)[NH2+]CCN[C@H]1CC[NH2+]C12CCC2 ZINC000530244808 324555918 /nfs/dbraw/zinc/55/59/18/324555918.db2.gz PAPOCVSTYABXMP-NSHDSACASA-N 2 0 225.380 1.249 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C2CCC(C[NH3+])CC2)CCN1C ZINC000335218947 355057963 /nfs/dbraw/zinc/05/79/63/355057963.db2.gz RLWNHFLSUAENOE-RYSNWHEDSA-N 3 0 239.407 1.576 20 0 BDADRP CC(C)C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000335238101 355099938 /nfs/dbraw/zinc/09/99/38/355099938.db2.gz KWCATERVZVYMMO-KGLIPLIRSA-N 2 0 240.391 1.861 20 0 BDADRP C[C@H](CC(N)=O)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000346865938 355133276 /nfs/dbraw/zinc/13/32/76/355133276.db2.gz OVOJKJKKFZRTPS-NEPJUHHUSA-N 2 0 241.379 1.104 20 0 BDADRP C[N@H+](CCc1ccccc1O)CC1CC[NH2+]CC1 ZINC000346973803 355209117 /nfs/dbraw/zinc/20/91/17/355209117.db2.gz IHYBVVDYFDSRRM-UHFFFAOYSA-N 2 0 248.370 1.866 20 0 BDADRP CCC[N@H+](C)C[C@@H]1CCN(CC(C)(C)[NH3+])C1 ZINC000346969085 355173909 /nfs/dbraw/zinc/17/39/09/355173909.db2.gz FAAVFCOGYDJYCG-LBPRGKRZSA-N 2 0 227.396 1.387 20 0 BDADRP CCOC[C@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346996102 355194952 /nfs/dbraw/zinc/19/49/52/355194952.db2.gz WJDWGJLQAHVVMS-STQMWFEESA-N 2 0 226.364 1.344 20 0 BDADRP COC(=O)C[C@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000346997565 355196172 /nfs/dbraw/zinc/19/61/72/355196172.db2.gz WZDZPTOSTUOXHF-NWDGAFQWSA-N 2 0 240.347 1.014 20 0 BDADRP CC[N@H+](C)C[C@H]1CCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000347005400 355201783 /nfs/dbraw/zinc/20/17/83/355201783.db2.gz PFIXQZHRGQTQTN-UONOGXRCSA-N 2 0 239.407 1.260 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CCO1 ZINC000388887746 355319579 /nfs/dbraw/zinc/31/95/79/355319579.db2.gz KTBVINQEKJJXDV-FDYHWXHSSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCCCN1CC[NH2+]C(C)(C)C ZINC000414647785 191542215 /nfs/dbraw/zinc/54/22/15/191542215.db2.gz AEYZNNBUTPBUOP-NWDGAFQWSA-N 2 0 227.396 1.576 20 0 BDADRP C[NH2+]CC1CC[NH+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414672282 191543662 /nfs/dbraw/zinc/54/36/62/191543662.db2.gz NOMXALXJHLYEMS-GXTWGEPZSA-N 3 0 239.407 1.306 20 0 BDADRP COc1cc(C[NH2+]C2CC[NH2+]CC2)ccc1C ZINC000414780215 191566271 /nfs/dbraw/zinc/56/62/71/191566271.db2.gz LHELGVACKJMQNY-UHFFFAOYSA-N 2 0 234.343 1.845 20 0 BDADRP C[C@@H]1C[C@@H](O)C[N@@H+]1CCC[NH+]1CCCCC1 ZINC000349854380 355496203 /nfs/dbraw/zinc/49/62/03/355496203.db2.gz OHMVNXVPRILKBR-CHWSQXEVSA-N 2 0 226.364 1.318 20 0 BDADRP CC(C)[C@](C)(O)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000261583540 535285895 /nfs/dbraw/zinc/28/58/95/535285895.db2.gz PCRBHLMIQRRLTR-RWMBFGLXSA-N 2 0 228.380 1.501 20 0 BDADRP CC[NH2+]CCN[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000414842663 191597968 /nfs/dbraw/zinc/59/79/68/191597968.db2.gz IXFYOTCNTVAZRV-GJZGRUSLSA-N 2 0 247.386 1.679 20 0 BDADRP COCC1(C[NH2+][C@@H](C)CC2CC2)CC[NH2+]CC1 ZINC000414973459 191637612 /nfs/dbraw/zinc/63/76/12/191637612.db2.gz LACRNRYOGTWNEU-LBPRGKRZSA-N 2 0 240.391 1.781 20 0 BDADRP C[N@H+](CCCCO)CC[C@@H]1CCC[NH+]1C ZINC000349922297 355528677 /nfs/dbraw/zinc/52/86/77/355528677.db2.gz QOUWRGKHPRHZGL-LBPRGKRZSA-N 2 0 214.353 1.175 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+][C@H]2CC[C@H](C[NH3+])C2)CCO1 ZINC000415045542 191662060 /nfs/dbraw/zinc/66/20/60/191662060.db2.gz UEYMQKOCHDFLMQ-RFQIPJPRSA-N 2 0 240.391 1.909 20 0 BDADRP CC(C)(C)[NH2+]CCN[C@H](C[NH3+])C(C)(C)C ZINC000415057332 191663648 /nfs/dbraw/zinc/66/36/48/191663648.db2.gz SCUBRBCEZBYOIP-SNVBAGLBSA-N 2 0 215.385 1.338 20 0 BDADRP CC(C)[NH2+]CCC[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000582175472 355577637 /nfs/dbraw/zinc/57/76/37/355577637.db2.gz QYIMYGCQNKDNBQ-QWHCGFSZSA-N 2 0 228.380 1.779 20 0 BDADRP Cc1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)sn1 ZINC000639313186 355685028 /nfs/dbraw/zinc/68/50/28/355685028.db2.gz SINHGZCDCNGWJP-PHIMTYICSA-N 2 0 239.388 1.881 20 0 BDADRP Cc1cc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)on1 ZINC000353997171 355776747 /nfs/dbraw/zinc/77/67/47/355776747.db2.gz QMPAYROBLSJJCW-VXGBXAGGSA-N 2 0 237.347 1.598 20 0 BDADRP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000166815179 355851657 /nfs/dbraw/zinc/85/16/57/355851657.db2.gz UIBVDKVQIRWAHV-STQMWFEESA-N 2 0 226.364 1.221 20 0 BDADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H](C)[NH+](C)C ZINC000350898354 355870756 /nfs/dbraw/zinc/87/07/56/355870756.db2.gz VIRMPLGXFSZXHZ-NWDGAFQWSA-N 2 0 243.395 1.219 20 0 BDADRP CCc1noc(C)c1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351472304 355997703 /nfs/dbraw/zinc/99/77/03/355997703.db2.gz AOZKFPBMGLWEEA-DRZSPHRISA-N 2 0 249.358 1.715 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)CCOC)C1 ZINC000167103203 355958026 /nfs/dbraw/zinc/95/80/26/355958026.db2.gz ZTRSPKDZLUDMAD-QWHCGFSZSA-N 2 0 228.380 1.733 20 0 BDADRP CC(C)[C@H]([NH3+])CNC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000422855488 192489690 /nfs/dbraw/zinc/48/96/90/192489690.db2.gz VPHRMCXGXHDLKC-ZWNOBZJWSA-N 2 0 249.358 1.419 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000584349930 356061584 /nfs/dbraw/zinc/06/15/84/356061584.db2.gz BKEUAAKPPFVNIW-JOYOIKCWSA-N 2 0 233.315 1.082 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000666444464 491088527 /nfs/dbraw/zinc/08/85/27/491088527.db2.gz GIOJZEOZHRVNET-UTLUCORTSA-N 2 0 220.307 1.960 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCS[C@@H](C)CC1 ZINC000379473566 358501106 /nfs/dbraw/zinc/50/11/06/358501106.db2.gz VJEBJPZEQIFPQF-RYUDHWBXSA-N 2 0 246.420 1.126 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cn1 ZINC000422887249 192497723 /nfs/dbraw/zinc/49/77/23/192497723.db2.gz ARKFPVLCPGFCNK-ZWNOBZJWSA-N 2 0 237.322 1.828 20 0 BDADRP C[C@@H]1CNC[C@H](C)[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420299966 192207489 /nfs/dbraw/zinc/20/74/89/192207489.db2.gz BZKXBRYBSJHIQN-XQQFMLRXSA-N 2 0 225.380 1.058 20 0 BDADRP NC[C@H]1CCCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420299505 192206475 /nfs/dbraw/zinc/20/64/75/192206475.db2.gz UANZHLUBCWPMHC-CHWSQXEVSA-N 2 0 225.380 1.189 20 0 BDADRP C[C@H]1[NH2+]CCN(CCC[NH+]2CCCCC2)[C@H]1C ZINC000420318961 192195196 /nfs/dbraw/zinc/19/51/96/192195196.db2.gz WYAKBYIRPUVUBS-KGLIPLIRSA-N 2 0 239.407 1.545 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000420320952 192195394 /nfs/dbraw/zinc/19/53/94/192195394.db2.gz URFLBCWLXLTVSL-ZIAGYGMSSA-N 2 0 239.407 1.260 20 0 BDADRP CC[NH+](CC)CCCN1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000420281075 192198781 /nfs/dbraw/zinc/19/87/81/192198781.db2.gz ZHUZLBOZOBZWSM-KGLIPLIRSA-N 2 0 241.423 1.920 20 0 BDADRP CC[NH+](CC)CCCN1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000420289632 192200962 /nfs/dbraw/zinc/20/09/62/192200962.db2.gz KMFKKXJIFHQWMC-KBPBESRZSA-N 2 0 241.423 1.778 20 0 BDADRP Nc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccn1 ZINC000420316405 192213119 /nfs/dbraw/zinc/21/31/19/192213119.db2.gz YCLQABWQWADEHZ-AVGNSLFASA-N 2 0 246.358 1.053 20 0 BDADRP CC[NH+](CC)CCCN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000420317316 192213348 /nfs/dbraw/zinc/21/33/48/192213348.db2.gz ZJBINLKTWZNSTO-BFHYXJOUSA-N 2 0 239.407 1.387 20 0 BDADRP CC[NH+](CC)CCCN1CC[NH2+][C@H](C)[C@H]1C ZINC000420317028 192213409 /nfs/dbraw/zinc/21/34/09/192213409.db2.gz UHOVKFDTNMFIAS-CHWSQXEVSA-N 2 0 227.396 1.401 20 0 BDADRP CC[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000420318308 192214574 /nfs/dbraw/zinc/21/45/74/192214574.db2.gz OKHRZPUJTQEGBO-JHJVBQTASA-N 2 0 226.364 1.485 20 0 BDADRP C[NH2+]CCC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420336114 192214845 /nfs/dbraw/zinc/21/48/45/192214845.db2.gz LHINNPMBDUALCT-CYBMUJFWSA-N 3 0 225.380 1.060 20 0 BDADRP FCCC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420334901 192215047 /nfs/dbraw/zinc/21/50/47/192215047.db2.gz UNMGCEFZOYFNCG-VXGBXAGGSA-N 2 0 214.328 1.668 20 0 BDADRP C[C@@H]1CN(CCC[NH+]2CCCCC2)[C@@H](C)C[NH2+]1 ZINC000420338744 192215384 /nfs/dbraw/zinc/21/53/84/192215384.db2.gz OTGQVRNIQHPZJM-KGLIPLIRSA-N 2 0 239.407 1.545 20 0 BDADRP C(CN1CC[C@@H]2[NH2+]CC[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000420345538 192215601 /nfs/dbraw/zinc/21/56/01/192215601.db2.gz VQNZFNSYLOFEOY-IHRRRGAJSA-N 2 0 237.391 1.060 20 0 BDADRP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422898010 192501161 /nfs/dbraw/zinc/50/11/61/192501161.db2.gz DGWCMBYSWKVCGX-RFQIPJPRSA-N 2 0 240.391 1.922 20 0 BDADRP CCC[C@@H]1CNCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420305429 192208620 /nfs/dbraw/zinc/20/86/20/192208620.db2.gz KFTGTZBKEJZQPU-ZIAGYGMSSA-N 2 0 239.407 1.450 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@]2(CC[NH2+]C2)C1 ZINC000420304903 192209554 /nfs/dbraw/zinc/20/95/54/192209554.db2.gz JKYHYQRFAJHXPV-AWEZNQCLSA-N 2 0 239.407 1.404 20 0 BDADRP COCCC[N@H+](CCC[NH3+])CC1CCCC1 ZINC000420306770 192209730 /nfs/dbraw/zinc/20/97/30/192209730.db2.gz BGVXTGOLMWIZEQ-UHFFFAOYSA-N 2 0 228.380 1.864 20 0 BDADRP CCC[C@H]1CNCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420310883 192210121 /nfs/dbraw/zinc/21/01/21/192210121.db2.gz QHBGVFNJNWOBJL-OLZOCXBDSA-N 2 0 225.380 1.060 20 0 BDADRP C(CN(C1CC1)[C@@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000420310240 192210389 /nfs/dbraw/zinc/21/03/89/192210389.db2.gz FQIGRSLJZRVUPU-TZMCWYRMSA-N 2 0 237.391 1.202 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC[C@@H]3CCCCO3)C[C@H]12 ZINC000420308309 192210762 /nfs/dbraw/zinc/21/07/62/192210762.db2.gz NKHOFJKRHFUSOO-ZOBORPQBSA-N 2 0 238.375 1.615 20 0 BDADRP c1c[nH]c([C@@H]2CCC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)n1 ZINC000420311976 192210881 /nfs/dbraw/zinc/21/08/81/192210881.db2.gz HKENCBHXMRQWRC-CHWSQXEVSA-N 2 0 248.374 1.589 20 0 BDADRP CC(C)[NH2+]C1CC[NH+](C[C@@H]2CCO[C@H]2C)CC1 ZINC000639527513 356376658 /nfs/dbraw/zinc/37/66/58/356376658.db2.gz RRNJYFKTUNFHGE-STQMWFEESA-N 2 0 240.391 1.874 20 0 BDADRP CC[NH+](CC)CCCN1C[C@@H](C[NH3+])C[C@H]1C ZINC000420324256 192230575 /nfs/dbraw/zinc/23/05/75/192230575.db2.gz UWAVRTFWRIBUHO-CHWSQXEVSA-N 2 0 227.396 1.387 20 0 BDADRP CCC[C@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000420355723 192220380 /nfs/dbraw/zinc/22/03/80/192220380.db2.gz FQQUDZPKYAMPKE-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP C[N@H+](C[C@@H](O)C[NH3+])[C@H]1CCCc2ccccc21 ZINC000420356618 192220861 /nfs/dbraw/zinc/22/08/61/192220861.db2.gz RCCOURJRCBQFBS-JSGCOSHPSA-N 2 0 234.343 1.315 20 0 BDADRP NC[C@H]([NH2+]C[C@@H]1CCOC1)C1CCCCC1 ZINC000420364321 192223189 /nfs/dbraw/zinc/22/31/89/192223189.db2.gz KHCFUTUCMSYLRH-AAEUAGOBSA-N 2 0 226.364 1.520 20 0 BDADRP CCOCC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420381871 192234526 /nfs/dbraw/zinc/23/45/26/192234526.db2.gz CUMLKTUQZWFRLT-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)[C@H](C)CN1 ZINC000420387051 192235510 /nfs/dbraw/zinc/23/55/10/192235510.db2.gz GGIHWRJLAWNBPY-UPJWGTAASA-N 2 0 225.380 1.058 20 0 BDADRP CCOCC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420387389 192235822 /nfs/dbraw/zinc/23/58/22/192235822.db2.gz WBLNCRGJTSEKGX-LBPRGKRZSA-N 2 0 212.337 1.098 20 0 BDADRP CC[NH+](CC)CCCN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000420391452 192236050 /nfs/dbraw/zinc/23/60/50/192236050.db2.gz IIQRMQZCVYIPMF-OKILXGFUSA-N 2 0 239.407 1.545 20 0 BDADRP C[NH2+]CCCN[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000420393473 192236664 /nfs/dbraw/zinc/23/66/64/192236664.db2.gz CDPGFOXIUJUZOZ-CABCVRRESA-N 2 0 247.386 1.631 20 0 BDADRP COCC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682356 356592130 /nfs/dbraw/zinc/59/21/30/356592130.db2.gz UMRPEXQXDRWESA-UHFFFAOYSA-N 2 0 235.331 1.240 20 0 BDADRP CC[C@H]([NH2+]CCc1ccncc1)[C@@H]1CCC[NH2+]1 ZINC000423005870 192536162 /nfs/dbraw/zinc/53/61/62/192536162.db2.gz NJHVLEAXDNPJPA-KBPBESRZSA-N 2 0 233.359 1.744 20 0 BDADRP CCC[C@H](CCO)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000423007780 192536801 /nfs/dbraw/zinc/53/68/01/192536801.db2.gz RPALUIZEYGIYJX-ROKHWSDSSA-N 2 0 242.407 1.892 20 0 BDADRP C[C@H](Cc1ccoc1)[NH2+][C@@H](C)CCC[NH3+] ZINC000423007992 192537951 /nfs/dbraw/zinc/53/79/51/192537951.db2.gz SCZIFNUHBGQEMO-WDEREUQCSA-N 2 0 210.321 1.928 20 0 BDADRP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])C1(C)C ZINC000423011606 192538787 /nfs/dbraw/zinc/53/87/87/192538787.db2.gz BCMUUNBWAJCBQQ-CSYMLDBXSA-N 2 0 228.380 1.761 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCC[C@H]1OC ZINC000423019595 192542346 /nfs/dbraw/zinc/54/23/46/192542346.db2.gz WGNXZDPZEQPMEX-RWMBFGLXSA-N 2 0 244.379 1.145 20 0 BDADRP CC[C@@H](CC(F)(F)F)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000423042294 192549271 /nfs/dbraw/zinc/54/92/71/192549271.db2.gz YYXKTORMOVPMHN-APPZFPTMSA-N 2 0 224.270 1.915 20 0 BDADRP C[C@H](O)CCC[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756520 356660809 /nfs/dbraw/zinc/66/08/09/356660809.db2.gz WNZXIKZYTKWBKN-ZDUSSCGKSA-N 2 0 240.391 1.565 20 0 BDADRP CC[NH+](CC)[C@@H]1CCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000216597313 134152655 /nfs/dbraw/zinc/15/26/55/134152655.db2.gz SXCZSANCYCJVAQ-KGLIPLIRSA-N 2 0 239.407 1.402 20 0 BDADRP Cn1cncc1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756931 356663796 /nfs/dbraw/zinc/66/37/96/356663796.db2.gz AKEUXSVFNPEQRM-UHFFFAOYSA-N 2 0 248.374 1.338 20 0 BDADRP CCC[C@@H](O)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000450339547 202134837 /nfs/dbraw/zinc/13/48/37/202134837.db2.gz RDXLCBJKPYMCLB-CQSZACIVSA-N 2 0 242.407 1.952 20 0 BDADRP COCCC[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639754643 356657094 /nfs/dbraw/zinc/65/70/94/356657094.db2.gz DEQWHUJGCUCEBQ-UHFFFAOYSA-N 2 0 226.364 1.441 20 0 BDADRP C[NH+]1CCC2(CC[N@H+](CCCCCO)C2)CC1 ZINC000639758583 356669161 /nfs/dbraw/zinc/66/91/61/356669161.db2.gz VLAKKGPSZFLBSL-UHFFFAOYSA-N 2 0 240.391 1.567 20 0 BDADRP COCC1(CC[NH2+][C@@H]2CCC[C@H]2C[NH3+])CCC1 ZINC000423135617 192580933 /nfs/dbraw/zinc/58/09/33/192580933.db2.gz OBJGBPXBAGJQAM-QWHCGFSZSA-N 2 0 240.391 1.910 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H](CO)CC1CCC1 ZINC000423126889 192576513 /nfs/dbraw/zinc/57/65/13/192576513.db2.gz JFQJSEAYEGJXED-YPMHNXCESA-N 2 0 228.380 1.645 20 0 BDADRP CCC[N@H+](CC)C[C@@H](C)N[C@@H]1CCC[C@H]1[NH3+] ZINC000423144668 192586650 /nfs/dbraw/zinc/58/66/50/192586650.db2.gz ZJDCDAMNVSYKNE-JHJVBQTASA-N 2 0 227.396 1.576 20 0 BDADRP CC[C@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000383698758 538664593 /nfs/dbraw/zinc/66/45/93/538664593.db2.gz VGLADBNNUUTJCX-KBPBESRZSA-N 2 0 242.407 1.952 20 0 BDADRP CCc1cc(NCC[N@@H+]2CCCOCC2)cc[nH+]1 ZINC000450475073 202177830 /nfs/dbraw/zinc/17/78/30/202177830.db2.gz VJLLTZLHYQIMSQ-UHFFFAOYSA-N 2 0 249.358 1.200 20 0 BDADRP CCOCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623361122 356807302 /nfs/dbraw/zinc/80/73/02/356807302.db2.gz OCRANHDHEUOCHC-NSHDSACASA-N 2 0 214.353 1.485 20 0 BDADRP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H](O)CC ZINC000423165740 192603021 /nfs/dbraw/zinc/60/30/21/192603021.db2.gz UUQLUMKFWSHTRC-KTCIRNNBSA-N 2 0 226.364 1.409 20 0 BDADRP CC(C)[C@@H]1CC[C@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423179561 192612352 /nfs/dbraw/zinc/61/23/52/192612352.db2.gz HKZWBHQZEQFNHV-UONOGXRCSA-N 2 0 239.407 1.306 20 0 BDADRP CC(C)[C@@H]1CC[C@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000353536560 538749750 /nfs/dbraw/zinc/74/97/50/538749750.db2.gz YDFINWMNEMECKM-QWHCGFSZSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NCCC[NH3+] ZINC000389783439 357031269 /nfs/dbraw/zinc/03/12/69/357031269.db2.gz JSTMEGMHFJWMSC-UKRRQHHQSA-N 2 0 247.386 1.445 20 0 BDADRP COCC[NH2+]C1CC[NH+](CC2CCC2)CC1 ZINC000582365402 357111898 /nfs/dbraw/zinc/11/18/98/357111898.db2.gz TUOVQUMPEVKDQJ-UHFFFAOYSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)[C@H](C)O ZINC000582415377 357140518 /nfs/dbraw/zinc/14/05/18/357140518.db2.gz QYLQADXWPTUIMS-NEPJUHHUSA-N 2 0 236.359 1.607 20 0 BDADRP CC(C)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000374420306 357160212 /nfs/dbraw/zinc/16/02/12/357160212.db2.gz LECCIDXFUONFQU-MGPQQGTHSA-N 2 0 240.391 1.826 20 0 BDADRP CC[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cnn(C)c1 ZINC000423250882 192651793 /nfs/dbraw/zinc/65/17/93/192651793.db2.gz RDMLMKPVAGDFIQ-WCQYABFASA-N 2 0 236.363 1.460 20 0 BDADRP Cc1cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)ccn1 ZINC000391143186 357122704 /nfs/dbraw/zinc/12/27/04/357122704.db2.gz SCHCDIOIABNPPQ-OLZOCXBDSA-N 2 0 219.332 1.750 20 0 BDADRP CC(C)(O)C(C)(C)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000393605133 357289048 /nfs/dbraw/zinc/28/90/48/357289048.db2.gz XSYKRXDAYZRUBC-QWRGUYRKSA-N 2 0 228.380 1.643 20 0 BDADRP CC(C)(O)C(C)(C)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000393605131 357289474 /nfs/dbraw/zinc/28/94/74/357289474.db2.gz XSYKRXDAYZRUBC-GHMZBOCLSA-N 2 0 228.380 1.643 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCCC1(C)C ZINC000393754648 357296099 /nfs/dbraw/zinc/29/60/99/357296099.db2.gz VTJNWKAZWFGUGZ-NEPJUHHUSA-N 2 0 228.380 1.467 20 0 BDADRP Cc1nccnc1[C@@H](C)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423283972 192676367 /nfs/dbraw/zinc/67/63/67/192676367.db2.gz XVHZPHKGOZLECD-DGCLKSJQSA-N 2 0 248.374 1.825 20 0 BDADRP COC1CC([NH2+]C[C@@H]2CCCC[N@H+](C)C2)C1 ZINC000628425274 357253004 /nfs/dbraw/zinc/25/30/04/357253004.db2.gz GDZSKEKYFSBJOV-HIFPTAJRSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@H]1CCCC[C@H]1O ZINC000393244023 357279501 /nfs/dbraw/zinc/27/95/01/357279501.db2.gz NJBCPXSWQWYFON-FDYHWXHSSA-N 2 0 226.364 1.349 20 0 BDADRP FC1(C[NH2+]Cc2ccc3c[nH+]cn3c2)CC1 ZINC000582472221 357314376 /nfs/dbraw/zinc/31/43/76/357314376.db2.gz QZLJNHIBVQRJRU-UHFFFAOYSA-N 2 0 219.263 1.926 20 0 BDADRP CCCC[C@@H](C[NH3+])N[C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000423296730 192684963 /nfs/dbraw/zinc/68/49/63/192684963.db2.gz HOHUMRQWPVLPMF-XQQFMLRXSA-N 2 0 227.396 1.624 20 0 BDADRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ccoc1 ZINC000582480858 357316685 /nfs/dbraw/zinc/31/66/85/357316685.db2.gz ODZGHKKSKUTWRX-JTQLQIEISA-N 2 0 206.289 1.850 20 0 BDADRP CCC(CC)[C@@H](O)C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000230479195 357526176 /nfs/dbraw/zinc/52/61/76/357526176.db2.gz VASLZAAJWNIYEP-YPMHNXCESA-N 2 0 228.380 1.373 20 0 BDADRP CCC[NH+]1CCC([NH2+]CC[C@H]2CCOC2)CC1 ZINC000230410206 357540459 /nfs/dbraw/zinc/54/04/59/357540459.db2.gz CFDUDWWKIWYLGT-ZDUSSCGKSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@H](CCO)CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000397730454 357674174 /nfs/dbraw/zinc/67/41/74/357674174.db2.gz PXHNBLRBZCWBFF-SDDRHHMPSA-N 2 0 214.353 1.255 20 0 BDADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)[C@H]1CCC[NH2+]C1 ZINC000583263195 357738723 /nfs/dbraw/zinc/73/87/23/357738723.db2.gz OGMCMQMMJZGUKN-DOMZBBRYSA-N 3 0 247.386 1.623 20 0 BDADRP CC[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)C1CC1 ZINC000086116001 357853602 /nfs/dbraw/zinc/85/36/02/357853602.db2.gz IRGSFZMQJSNRKA-CQSZACIVSA-N 2 0 239.407 1.402 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C1Cc2ccccc2C1 ZINC000234777742 357827903 /nfs/dbraw/zinc/82/79/03/357827903.db2.gz DOERYARMFHAAMJ-AWEZNQCLSA-N 2 0 248.370 1.497 20 0 BDADRP C[C@@H](O)[C@@H](C)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000583807824 357955042 /nfs/dbraw/zinc/95/50/42/357955042.db2.gz CRPSNSWLSHTVHL-GHMZBOCLSA-N 2 0 214.353 1.220 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H](C)C[NH3+])cc1 ZINC000584468898 357988216 /nfs/dbraw/zinc/98/82/16/357988216.db2.gz YDDXLKOCKSVFKC-NXEZZACHSA-N 2 0 235.331 1.031 20 0 BDADRP CC[NH+](CC)C[C@@H](C)N[C@@H]1CCC[NH2+]CC1 ZINC000168744700 134248079 /nfs/dbraw/zinc/24/80/79/134248079.db2.gz OAKFUWZVGVNCNQ-CHWSQXEVSA-N 3 0 227.396 1.448 20 0 BDADRP Cc1ccc(CN2CC[C@@H]([NH3+])[C@@H](C)C2)cn1 ZINC000217921481 134251203 /nfs/dbraw/zinc/25/12/03/134251203.db2.gz KHOTZERNNRBJNQ-GXFFZTMASA-N 2 0 219.332 1.559 20 0 BDADRP Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])nc1 ZINC000583871870 358080787 /nfs/dbraw/zinc/08/07/87/358080787.db2.gz GJXUEOKUECWIPR-GHMZBOCLSA-N 2 0 207.321 1.605 20 0 BDADRP COC[C@H](C)C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000584575577 358084064 /nfs/dbraw/zinc/08/40/64/358084064.db2.gz IIVHLAJBIIIVMD-OLZOCXBDSA-N 2 0 228.380 1.590 20 0 BDADRP COCC1(CC[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000584590241 358095713 /nfs/dbraw/zinc/09/57/13/358095713.db2.gz RLPMHPXBDXXGGZ-OLZOCXBDSA-N 2 0 240.391 1.733 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@@](O)(CC)C1 ZINC000640035853 358135500 /nfs/dbraw/zinc/13/55/00/358135500.db2.gz OARWHLRMHRMYEL-AWEZNQCLSA-N 2 0 242.407 1.955 20 0 BDADRP CCn1nccc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000584719960 358161196 /nfs/dbraw/zinc/16/11/96/358161196.db2.gz OHZDRPXKROVRND-NXEZZACHSA-N 2 0 210.325 1.118 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623421195 358165620 /nfs/dbraw/zinc/16/56/20/358165620.db2.gz BEEAECBAEGOJHZ-VXGBXAGGSA-N 2 0 228.380 1.466 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@H](C)[C@@H](C)CO ZINC000450736816 202250882 /nfs/dbraw/zinc/25/08/82/202250882.db2.gz GXEIUIAWIHMJPE-NWDGAFQWSA-N 2 0 216.369 1.325 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCCN([C@@H](C)c2cnccn2)C1 ZINC000226969387 358346668 /nfs/dbraw/zinc/34/66/68/358346668.db2.gz QEDBWNVHVXBPST-SDDRHHMPSA-N 2 0 234.347 1.597 20 0 BDADRP Cc1ncsc1CC[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000228180774 358369807 /nfs/dbraw/zinc/36/98/07/358369807.db2.gz IDNHWHDNKHABDE-KOLCDFICSA-N 2 0 239.388 1.806 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H](C)CCOC)CC1 ZINC000045038823 358400659 /nfs/dbraw/zinc/40/06/59/358400659.db2.gz ZSKFRFCLBXTPKZ-LBPRGKRZSA-N 2 0 228.380 1.733 20 0 BDADRP C[C@@H](CC1CC1)[NH2+]CCOCC[NH+](C)C ZINC000219303380 134281260 /nfs/dbraw/zinc/28/12/60/134281260.db2.gz RDLXWLLSUSMKPT-NSHDSACASA-N 2 0 214.353 1.343 20 0 BDADRP CCCCC[N@H+](CCN1CC[NH2+]CC1)C(C)C ZINC000042551775 358526648 /nfs/dbraw/zinc/52/66/48/358526648.db2.gz GFSQHYNKFFFLET-UHFFFAOYSA-N 2 0 241.423 1.792 20 0 BDADRP C[C@@H]([NH2+]CC1(CO)CC1)C1CC[NH+](C)CC1 ZINC000132385785 491135541 /nfs/dbraw/zinc/13/55/41/491135541.db2.gz XDBBJOAWINCMGS-LLVKDONJSA-N 2 0 226.364 1.079 20 0 BDADRP [NH3+][C@@H]1CCCN(CCCOCC(F)(F)F)C1 ZINC000049313103 358681245 /nfs/dbraw/zinc/68/12/45/358681245.db2.gz IJPVRHAVVJWGLU-SECBINFHSA-N 2 0 240.269 1.379 20 0 BDADRP COC(=O)CC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000050068526 358712520 /nfs/dbraw/zinc/71/25/20/358712520.db2.gz JCEHCDLDUXEOAI-LBPRGKRZSA-N 2 0 242.363 1.356 20 0 BDADRP CN(C)C1(C[NH2+]CC2(C)COC2)CCCC1 ZINC000132964275 358741052 /nfs/dbraw/zinc/74/10/52/358741052.db2.gz IDXGESSVOVQXHT-UHFFFAOYSA-N 2 0 226.364 1.487 20 0 BDADRP [NH3+]CCC1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000578242049 366468186 /nfs/dbraw/zinc/46/81/86/366468186.db2.gz HLHUFPQUHXXNJA-ZDUSSCGKSA-N 3 0 225.380 1.047 20 0 BDADRP CC(C)(C)CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000135984090 358858248 /nfs/dbraw/zinc/85/82/48/358858248.db2.gz CDEBUNXSIAYBRN-LBPRGKRZSA-N 2 0 228.380 1.469 20 0 BDADRP COc1ccc(OC)c(C[NH2+][C@@H](C)CC[NH3+])c1 ZINC000136136322 358865376 /nfs/dbraw/zinc/86/53/76/358865376.db2.gz HOWJTKCBLDDONX-JTQLQIEISA-N 2 0 238.331 1.531 20 0 BDADRP C[C@H](CCC[NH3+])NC(=O)c1ccc(C[NH3+])cc1 ZINC000578322375 366511703 /nfs/dbraw/zinc/51/17/03/366511703.db2.gz WIBXRTJGCMGMDP-SNVBAGLBSA-N 2 0 235.331 1.003 20 0 BDADRP CC(C)CCOCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000086403845 358968082 /nfs/dbraw/zinc/96/80/82/358968082.db2.gz MDRPNNDBVAJWQO-QWHCGFSZSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)C1CC1)CN1CC[NH+](C)CC1 ZINC000177294196 134299283 /nfs/dbraw/zinc/29/92/83/134299283.db2.gz VCTICPWSKPFMSZ-OLZOCXBDSA-N 2 0 239.407 1.258 20 0 BDADRP C[C@]1(CN[C@@H]2CCC[C@@H]([NH3+])C2)CCC[NH2+]C1 ZINC000578338030 366528025 /nfs/dbraw/zinc/52/80/25/366528025.db2.gz ZQMQISAPNDTFBR-UPJWGTAASA-N 2 0 225.380 1.236 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000069858061 359034840 /nfs/dbraw/zinc/03/48/40/359034840.db2.gz BNQPMUFJMMTNFP-QWHCGFSZSA-N 2 0 228.380 1.875 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCCC2)CCO1 ZINC000069859071 359034985 /nfs/dbraw/zinc/03/49/85/359034985.db2.gz KIZBMCGXARNUJA-STQMWFEESA-N 2 0 226.364 1.629 20 0 BDADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cn[nH]c1 ZINC000423322963 192706686 /nfs/dbraw/zinc/70/66/86/192706686.db2.gz HROVEEHPYQWXBB-JTQLQIEISA-N 2 0 222.336 1.450 20 0 BDADRP COC(=O)c1coc([C@@H](C)[NH2+]CCCC[NH3+])c1 ZINC000423327936 192707901 /nfs/dbraw/zinc/70/79/01/192707901.db2.gz NJMDDCBOLKQIMY-SECBINFHSA-N 2 0 240.303 1.456 20 0 BDADRP C([NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)[C@H]1CC[NH2+]C1 ZINC000423329907 192709770 /nfs/dbraw/zinc/70/97/70/192709770.db2.gz FOUJEODIFJIARY-QNWHQSFQSA-N 2 0 236.359 1.143 20 0 BDADRP C[NH+](C)[C@@H]1CCCN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000246678259 359157284 /nfs/dbraw/zinc/15/72/84/359157284.db2.gz GCZIDCWGIBDUCF-ZIAGYGMSSA-N 2 0 239.407 1.497 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)[C@H]1CCCO1 ZINC000423362086 192732105 /nfs/dbraw/zinc/73/21/05/192732105.db2.gz MSRUHQHVSUMVMI-IJLUTSLNSA-N 2 0 212.337 1.286 20 0 BDADRP COC[C@H]([NH2+][C@@H](C)CCC[NH3+])C1CCCC1 ZINC000423460406 192778603 /nfs/dbraw/zinc/77/86/03/192778603.db2.gz RYTBMBIYTXDZEA-AAEUAGOBSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000423444972 192771594 /nfs/dbraw/zinc/77/15/94/192771594.db2.gz BIRNTEASDMLWKP-NEPJUHHUSA-N 2 0 236.359 1.957 20 0 BDADRP CC[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])C1(C(=O)OC)CCC1 ZINC000423448581 192772895 /nfs/dbraw/zinc/77/28/95/192772895.db2.gz QOMNURWSOALHDO-MXWKQRLJSA-N 2 0 242.363 1.434 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)C1CCOCC1 ZINC000423466710 192782723 /nfs/dbraw/zinc/78/27/23/192782723.db2.gz IURWKOMVQKGTLB-OUCADQQQSA-N 2 0 240.391 1.909 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+]CCCF)CC1(C)C ZINC000623453485 359451770 /nfs/dbraw/zinc/45/17/70/359451770.db2.gz RAKAWVOEHQHVQC-SNVBAGLBSA-N 2 0 202.317 1.808 20 0 BDADRP C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000574988334 359525340 /nfs/dbraw/zinc/52/53/40/359525340.db2.gz XXQWXZOKFHNGPZ-UTLUCORTSA-N 2 0 235.331 1.172 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1cccc(CO)c1 ZINC000423496551 192795489 /nfs/dbraw/zinc/79/54/89/192795489.db2.gz WYIUYZLUZMIBOS-ZOWXZIJZSA-N 2 0 248.370 1.957 20 0 BDADRP CC(C)[NH2+]CCCNC(=O)[C@H](C(C)C)[C@H](C)[NH3+] ZINC000578504849 366581307 /nfs/dbraw/zinc/58/13/07/366581307.db2.gz VPOQBVVMZDMBTC-NWDGAFQWSA-N 2 0 243.395 1.110 20 0 BDADRP C[C@H]([NH3+])[C@H](C)c1nc(C2([NH3+])CCCC2)no1 ZINC000578531700 366591740 /nfs/dbraw/zinc/59/17/40/366591740.db2.gz NCFQWAOQGCEUER-YUMQZZPRSA-N 2 0 224.308 1.248 20 0 BDADRP CC[NH+]1CCC([NH2+]CC2(O)CCCCC2)CC1 ZINC000087017238 359895217 /nfs/dbraw/zinc/89/52/17/359895217.db2.gz CNRHLDRBJYTQCD-UHFFFAOYSA-N 2 0 240.391 1.756 20 0 BDADRP C[C@H](CO)[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000224003175 491145928 /nfs/dbraw/zinc/14/59/28/491145928.db2.gz WNXPUIUVPOEQGQ-NOOOWODRSA-N 2 0 214.353 1.076 20 0 BDADRP [NH3+]Cc1ccc(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000578625812 366611060 /nfs/dbraw/zinc/61/10/60/366611060.db2.gz NVYTZZWCEOULCV-AAEUAGOBSA-N 2 0 247.342 1.003 20 0 BDADRP [NH3+]Cc1cc(-c2nc(C3([NH3+])CCCC3)no2)co1 ZINC000578891650 366668618 /nfs/dbraw/zinc/66/86/18/366668618.db2.gz PAMNJSHFZOWHTD-UHFFFAOYSA-N 2 0 248.286 1.516 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1NCCC[NH+]1CCCCC1 ZINC000089147733 359994253 /nfs/dbraw/zinc/99/42/53/359994253.db2.gz IPFOZEKAYJUQQA-KGLIPLIRSA-N 2 0 239.407 1.579 20 0 BDADRP C1C[C@H]2C[C@H]([NH2+]C3CCOCC3)CC[N@@H+]2C1 ZINC000090714579 360085353 /nfs/dbraw/zinc/08/53/53/360085353.db2.gz BVZBHRHPPHGKLX-OLZOCXBDSA-N 2 0 224.348 1.382 20 0 BDADRP C[N@@H+]1CCC[C@H]2CN(Cc3cc[nH]n3)CC[C@@H]21 ZINC000092043673 360147014 /nfs/dbraw/zinc/14/70/14/360147014.db2.gz LKCPXTLWLOUTBJ-AAEUAGOBSA-N 2 0 234.347 1.326 20 0 BDADRP COCCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000093452959 360244514 /nfs/dbraw/zinc/24/45/14/360244514.db2.gz KEBSFEDSDIKAQE-MCIONIFRSA-N 2 0 240.391 1.923 20 0 BDADRP CC[NH+](CC)C[C@H]1CCN(Cc2c[nH]cn2)C1 ZINC000093693247 360272350 /nfs/dbraw/zinc/27/23/50/360272350.db2.gz CXYGJXHMPMEPQF-GFCCVEGCSA-N 2 0 236.363 1.573 20 0 BDADRP CCCCNC(=O)[C@@H](C)N(C)CC(C)(C)C[NH3+] ZINC000093874362 360286197 /nfs/dbraw/zinc/28/61/97/360286197.db2.gz HJGSCTNHHFSJDK-LLVKDONJSA-N 2 0 243.395 1.208 20 0 BDADRP CC(C)(C)[NH2+]CCN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000414765013 219881917 /nfs/dbraw/zinc/88/19/17/219881917.db2.gz FNOGAFQYEDNAMU-NEPJUHHUSA-N 2 0 225.380 1.058 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000629389840 361036192 /nfs/dbraw/zinc/03/61/92/361036192.db2.gz BVDLSOAUGIDSEZ-FIQHERPVSA-N 2 0 212.337 1.284 20 0 BDADRP C[C@H]1CCC[C@@H]([NH2+]CC2([NH3+])CCOCC2)C1 ZINC000629387036 361039079 /nfs/dbraw/zinc/03/90/79/361039079.db2.gz CXKLRUFLUSMHGL-NWDGAFQWSA-N 2 0 226.364 1.663 20 0 BDADRP CC(C)C[C@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629387337 361039348 /nfs/dbraw/zinc/03/93/48/361039348.db2.gz HSGQCSCWTAUBAR-NSHDSACASA-N 2 0 214.353 1.519 20 0 BDADRP C[C@H]1CCCC[C@H]1C[NH2+]CC1([NH3+])CCOCC1 ZINC000629387706 361039803 /nfs/dbraw/zinc/03/98/03/361039803.db2.gz JKCCFFODTORRJY-STQMWFEESA-N 2 0 240.391 1.910 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000629392019 361040907 /nfs/dbraw/zinc/04/09/07/361040907.db2.gz HQWJCXCNHFJNGU-ITGUQSILSA-N 2 0 228.380 1.637 20 0 BDADRP C[C@H]1CCC[C@@H]([NH2+]CCOCCC[NH3+])C1 ZINC000629398872 361045543 /nfs/dbraw/zinc/04/55/43/361045543.db2.gz ZWAWMNRPBPHBBH-NWDGAFQWSA-N 2 0 214.353 1.520 20 0 BDADRP CO[C@@H]1CCC[C@H]1C[NH2+][C@@H](C)CCC[NH3+] ZINC000423017277 200855312 /nfs/dbraw/zinc/85/53/12/200855312.db2.gz OGJCNAGOTCPEJF-SDDRHHMPSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@H](Cc1cccs1)[NH2+]CCOCCC[NH3+] ZINC000629398585 361048679 /nfs/dbraw/zinc/04/86/79/361048679.db2.gz FOHREVGCKBDMPI-LLVKDONJSA-N 2 0 242.388 1.634 20 0 BDADRP [NH3+]CCCOCC[NH2+]Cc1cccc(Cl)c1 ZINC000629398622 361049360 /nfs/dbraw/zinc/04/93/60/361049360.db2.gz VTVLLXKOHNIUGG-UHFFFAOYSA-N 2 0 242.750 1.795 20 0 BDADRP C[C@H](CC1CC1)[NH2+]CCOCCC[NH3+] ZINC000629400203 361050682 /nfs/dbraw/zinc/05/06/82/361050682.db2.gz QAVUCGAODJDXSI-SNVBAGLBSA-N 2 0 200.326 1.130 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H]1CCC[C@H]1C(C)C ZINC000629404476 361050917 /nfs/dbraw/zinc/05/09/17/361050917.db2.gz OFBZRKSYXQVIFJ-STQMWFEESA-N 2 0 228.380 1.637 20 0 BDADRP [NH3+]CCCOCC[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000629400239 361051078 /nfs/dbraw/zinc/05/10/78/361051078.db2.gz QYKWXNNKHBCHMM-UONOGXRCSA-N 2 0 240.391 1.910 20 0 BDADRP CC(C)[C@@H]1CCC[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629401095 361052083 /nfs/dbraw/zinc/05/20/83/361052083.db2.gz OXQVUHWAXPEGOK-QWHCGFSZSA-N 2 0 228.380 1.766 20 0 BDADRP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)[C@H]1CC1(C)C ZINC000629519065 361118546 /nfs/dbraw/zinc/11/85/46/361118546.db2.gz FDEDPELLXNYDCX-GHMZBOCLSA-N 2 0 226.364 1.519 20 0 BDADRP CCC[C@H](C)CCCN1CCO[C@@H](C[NH3+])C1 ZINC000629519555 361119820 /nfs/dbraw/zinc/11/98/20/361119820.db2.gz UNUDWYMXXACBSN-STQMWFEESA-N 2 0 228.380 1.862 20 0 BDADRP CCO[C@@H](C[NH2+][C@](C)(C[NH3+])C1CC1)C1CC1 ZINC000629514467 361112416 /nfs/dbraw/zinc/11/24/16/361112416.db2.gz MCQCTAIOUNLFHH-QWHCGFSZSA-N 2 0 226.364 1.519 20 0 BDADRP CC[C@H]1CC[C@@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629520158 361114760 /nfs/dbraw/zinc/11/47/60/361114760.db2.gz KWVVEZGFSIAWMC-QWRGUYRKSA-N 2 0 212.337 1.273 20 0 BDADRP CC[C@@H]1CC[C@@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629520156 361115335 /nfs/dbraw/zinc/11/53/35/361115335.db2.gz KWVVEZGFSIAWMC-MNOVXSKESA-N 2 0 212.337 1.273 20 0 BDADRP CO[C@H]1CCC[C@H]([NH2+]CC2([NH3+])CCOCC2)C1 ZINC000629520388 361115545 /nfs/dbraw/zinc/11/55/45/361115545.db2.gz KXMWFUUZMULJMJ-RYUDHWBXSA-N 2 0 242.363 1.042 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCOC[C@@H]1C ZINC000629527030 361131967 /nfs/dbraw/zinc/13/19/67/361131967.db2.gz IGKBNWVCIHCBAX-FIQHERPVSA-N 2 0 212.337 1.142 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccccc1F ZINC000629528656 361137173 /nfs/dbraw/zinc/13/71/73/361137173.db2.gz GDODTLTUJGUXPT-NSHDSACASA-N 2 0 240.322 1.712 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1cncc(F)c1 ZINC000629529265 361138046 /nfs/dbraw/zinc/13/80/46/361138046.db2.gz WYVFOUKZYJBJFY-JTQLQIEISA-N 2 0 241.310 1.107 20 0 BDADRP CC[C@@H]1CCCC[C@H]1[NH2+]CCOCC[NH2+]C ZINC000629529907 361141621 /nfs/dbraw/zinc/14/16/21/361141621.db2.gz QGFYHMHYJZYVPR-CHWSQXEVSA-N 2 0 228.380 1.781 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000629529707 361141735 /nfs/dbraw/zinc/14/17/35/361141735.db2.gz LNTWXUIGDGLFJL-HNNXBMFYSA-N 2 0 248.370 1.963 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000629530320 361144463 /nfs/dbraw/zinc/14/44/63/361144463.db2.gz CKUREXNDMOEQNT-WDEREUQCSA-N 2 0 214.353 1.247 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000629531054 361145769 /nfs/dbraw/zinc/14/57/69/361145769.db2.gz YMXGOEYOLBCOGP-YNEHKIRRSA-N 2 0 226.364 1.391 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000629531052 361145779 /nfs/dbraw/zinc/14/57/79/361145779.db2.gz YMXGOEYOLBCOGP-UPJWGTAASA-N 2 0 226.364 1.391 20 0 BDADRP CCO[C@@H](C[N@@H+]1CC[C@](C)(C[NH3+])C1)C1CC1 ZINC000629530679 361145809 /nfs/dbraw/zinc/14/58/09/361145809.db2.gz NHXYJVDIIDJGRA-QWHCGFSZSA-N 2 0 226.364 1.472 20 0 BDADRP CC(C)CC[C@H](CO)[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000629524554 361124268 /nfs/dbraw/zinc/12/42/68/361124268.db2.gz SBRALMUVAWLBBX-IJLUTSLNSA-N 2 0 216.369 1.499 20 0 BDADRP COCCCC[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000158504616 361200877 /nfs/dbraw/zinc/20/08/77/361200877.db2.gz XBWYTJIPYGPKSG-LLVKDONJSA-N 2 0 214.353 1.472 20 0 BDADRP C[C@H](CC[NH3+])NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000579006278 366694463 /nfs/dbraw/zinc/69/44/63/366694463.db2.gz XVQVKRMBOQMIDB-VXGBXAGGSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@H](O)C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000579112491 366713055 /nfs/dbraw/zinc/71/30/55/366713055.db2.gz HZHVRYNRCDWVFE-NSHDSACASA-N 2 0 214.353 1.079 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H](CO)c2ccccc2)C1 ZINC000579140600 366722872 /nfs/dbraw/zinc/72/28/72/366722872.db2.gz JSQBLNDEHCLQQS-RBSFLKMASA-N 2 0 248.370 1.622 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC[C@H]1CC1(F)F ZINC000622044040 370672736 /nfs/dbraw/zinc/67/27/36/370672736.db2.gz SEMBPWLOZQAZTG-YIZRAAEISA-N 2 0 206.280 1.747 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC[C@H]1CC1(F)F ZINC000622044037 370675426 /nfs/dbraw/zinc/67/54/26/370675426.db2.gz SEMBPWLOZQAZTG-CIUDSAMLSA-N 2 0 206.280 1.747 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CC1CC(C)C1 ZINC000622044753 370677017 /nfs/dbraw/zinc/67/70/17/370677017.db2.gz RFZXJESLQCMYMG-HTAVTVPLSA-N 2 0 214.353 1.376 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)NCC1([NH3+])CCCCC1 ZINC000428483752 201024186 /nfs/dbraw/zinc/02/41/86/201024186.db2.gz KEUBZCJVZHFSDB-GFCCVEGCSA-N 2 0 241.379 1.282 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000428939604 201049981 /nfs/dbraw/zinc/04/99/81/201049981.db2.gz ATSIQQASPNAMQM-LOWVWBTDSA-N 2 0 241.379 1.008 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000428939606 201050338 /nfs/dbraw/zinc/05/03/38/201050338.db2.gz ATSIQQASPNAMQM-WZRBSPASSA-N 2 0 241.379 1.008 20 0 BDADRP CCC[N@H+](C)CC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000429107857 201067316 /nfs/dbraw/zinc/06/73/16/201067316.db2.gz RTAOGYBIOFWPFD-ZDUSSCGKSA-N 2 0 249.358 1.144 20 0 BDADRP Cc1ccncc1[C@@H](C)[NH2+]CCOCCC[NH3+] ZINC000629536306 361398481 /nfs/dbraw/zinc/39/84/81/361398481.db2.gz GFEKKMGSHHSLNK-GFCCVEGCSA-N 2 0 237.347 1.406 20 0 BDADRP C[C@@H]1CC[C@H](N[C@H]2C[C@H]([NH3+])c3ccccc32)C[NH2+]1 ZINC000629535832 361411102 /nfs/dbraw/zinc/41/11/02/361411102.db2.gz DGOFXPXDCUZFGE-PKIAMQTDSA-N 2 0 245.370 1.861 20 0 BDADRP Cc1cc([C@H](C)[NH2+]CCOCCC[NH3+])oc1C ZINC000629539995 361413088 /nfs/dbraw/zinc/41/30/88/361413088.db2.gz RLZMQIGRWJYDPA-NSHDSACASA-N 2 0 240.347 1.912 20 0 BDADRP [NH3+]CCCOCC[NH2+][C@H]1CCC12CCCC2 ZINC000629540467 361414564 /nfs/dbraw/zinc/41/45/64/361414564.db2.gz UWDVJKKCYPMOPG-LBPRGKRZSA-N 2 0 226.364 1.664 20 0 BDADRP C[C@H]1CC(C)(C)C[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629540595 361414681 /nfs/dbraw/zinc/41/46/81/361414681.db2.gz VFBOYMSWFIDGGG-NWDGAFQWSA-N 2 0 228.380 1.766 20 0 BDADRP CC[C@H]([NH2+]CCOCCC[NH3+])[C@@H]1C[C@H]1C ZINC000629541263 361415727 /nfs/dbraw/zinc/41/57/27/361415727.db2.gz XKCMYRRYKSTLJA-UTUOFQBUSA-N 2 0 214.353 1.376 20 0 BDADRP C[C@H](N[C@H]1CC[C@@H](C)[NH2+]C1)c1c[nH+]ccc1N ZINC000629539597 361407253 /nfs/dbraw/zinc/40/72/53/361407253.db2.gz NAVRVXKDFOKGFI-VWYCJHECSA-N 2 0 234.347 1.285 20 0 BDADRP C[C@H]([NH2+]CCOCCC[NH3+])c1ccc(F)cn1 ZINC000629539587 361407283 /nfs/dbraw/zinc/40/72/83/361407283.db2.gz QIAJMERDHSXMAF-JTQLQIEISA-N 2 0 241.310 1.237 20 0 BDADRP CC[C@H]1CCCC[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629539596 361407511 /nfs/dbraw/zinc/40/75/11/361407511.db2.gz QKBKPZQWAKPWOK-QWHCGFSZSA-N 2 0 228.380 1.910 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CO[C@@H](C3CC3)C2)C1 ZINC000629548647 361434496 /nfs/dbraw/zinc/43/44/96/361434496.db2.gz OLFZUHWARZYFAK-MROQNXINSA-N 2 0 224.348 1.413 20 0 BDADRP C[C@@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)C[C@H](C)C1(F)F ZINC000629553720 361439566 /nfs/dbraw/zinc/43/95/66/361439566.db2.gz XFEAQJNZPUDREV-AXFHLTTASA-N 2 0 232.318 1.819 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000629554353 361441496 /nfs/dbraw/zinc/44/14/96/361441496.db2.gz HYHXPJGKRGDGJE-RVMXOQNASA-N 2 0 226.364 1.532 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000629554343 361441823 /nfs/dbraw/zinc/44/18/23/361441823.db2.gz HVPVZQYEZCNOAX-NDBYEHHHSA-N 2 0 226.364 1.389 20 0 BDADRP FC1(F)C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CC[NH2+]C1 ZINC000629550635 361443296 /nfs/dbraw/zinc/44/32/96/361443296.db2.gz OWONWNZLUWUNOU-MXWKQRLJSA-N 2 0 230.302 1.858 20 0 BDADRP CN1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000629551814 361443707 /nfs/dbraw/zinc/44/37/07/361443707.db2.gz XSTVEHIHMGUNOC-SYQHCUMBSA-N 2 0 237.391 1.058 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCCN1C ZINC000629551474 361443981 /nfs/dbraw/zinc/44/39/81/361443981.db2.gz UECOTXCTSUZOLA-AVGNSLFASA-N 2 0 225.380 1.058 20 0 BDADRP CN(CC[NH2+][C@@H]1CCCCC[C@H]1[NH3+])CC(F)F ZINC000629556409 361449970 /nfs/dbraw/zinc/44/99/70/361449970.db2.gz PBMSGHQDXZATIX-GHMZBOCLSA-N 2 0 249.349 1.433 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C2CCC(C[NH3+])CC2)CN1 ZINC000629542391 361419815 /nfs/dbraw/zinc/41/98/15/361419815.db2.gz YNEXSQLLVGUJCN-XVSSEFHLSA-N 2 0 225.380 1.234 20 0 BDADRP C([C@@H]1CCC2(C[NH2+]C2)O1)[NH+](C1CC1)C1CC1 ZINC000629569693 361461471 /nfs/dbraw/zinc/46/14/71/361461471.db2.gz YUZICSVPCWTRJF-LBPRGKRZSA-N 2 0 222.332 1.134 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)[C@@H](C)c1ccccn1 ZINC000629569394 361461605 /nfs/dbraw/zinc/46/16/05/361461605.db2.gz BQMMVBOXQGRUIS-LBPRGKRZSA-N 2 0 237.347 1.310 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)Cc1ccnc(C)c1 ZINC000629572523 361463778 /nfs/dbraw/zinc/46/37/78/361463778.db2.gz VUTASEPTSSTHIK-UHFFFAOYSA-N 2 0 237.347 1.058 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000629572415 361463890 /nfs/dbraw/zinc/46/38/90/361463890.db2.gz SENKAPNFJMLXKY-MCIONIFRSA-N 2 0 240.391 1.590 20 0 BDADRP C[C@@H](c1ccccn1)[N@H+](C)CCOCC[NH3+] ZINC000629578838 361465098 /nfs/dbraw/zinc/46/50/98/361465098.db2.gz VKLYFDKSEUFOLW-NSHDSACASA-N 2 0 223.320 1.050 20 0 BDADRP CCc1ccccc1C[N@H+](C)CCOCC[NH3+] ZINC000629578827 361465117 /nfs/dbraw/zinc/46/51/17/361465117.db2.gz VBABAHKIYIJXGT-UHFFFAOYSA-N 2 0 236.359 1.656 20 0 BDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C1CC(C)(C)C1 ZINC000433168609 201162590 /nfs/dbraw/zinc/16/25/90/201162590.db2.gz NYSKLAJYAKNIDE-LBPRGKRZSA-N 2 0 239.407 1.401 20 0 BDADRP C(C[NH2+]C[C@H]1CCSC1)C[NH2+]C1CC1 ZINC000163434703 361480243 /nfs/dbraw/zinc/48/02/43/361480243.db2.gz CUTPIMSXMIHUDB-SNVBAGLBSA-N 2 0 214.378 1.471 20 0 BDADRP O[C@H](C[NH2+]CC[C@@H]1CC1(F)F)C[NH+]1CCCC1 ZINC000629595806 361483869 /nfs/dbraw/zinc/48/38/69/361483869.db2.gz QQVRQQDBVRKWST-GHMZBOCLSA-N 2 0 248.317 1.078 20 0 BDADRP CC1CC(C[NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000629595847 361483941 /nfs/dbraw/zinc/48/39/41/361483941.db2.gz RNDPXRBBOMSTBT-BPCQOVAHSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@H]1C[C@H]1C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629593216 361485487 /nfs/dbraw/zinc/48/54/87/361485487.db2.gz ITGCTSFYSLNRGJ-ZDEQEGDKSA-N 2 0 208.349 1.574 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629562481 361456478 /nfs/dbraw/zinc/45/64/78/361456478.db2.gz AKSUAVIKLTVEKC-RKDXNWHRSA-N 2 0 224.270 1.854 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)Cc1ccccc1C ZINC000629566255 361457466 /nfs/dbraw/zinc/45/74/66/361457466.db2.gz IRQSWHOIZBQDTH-UHFFFAOYSA-N 2 0 236.359 1.663 20 0 BDADRP [NH3+]CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000629655802 361560215 /nfs/dbraw/zinc/56/02/15/361560215.db2.gz YOWHOLUHOVILTO-ZJUUUORDSA-N 2 0 200.351 1.305 20 0 BDADRP CC(C)C[C@H](C[NH3+])NCc1ccn(C)c1 ZINC000629648341 361540776 /nfs/dbraw/zinc/54/07/76/361540776.db2.gz SUDTWMAVTJBJQK-GFCCVEGCSA-N 2 0 209.337 1.488 20 0 BDADRP Cc1cnccc1CN[C@@H](C[NH3+])CC(C)C ZINC000629648337 361540974 /nfs/dbraw/zinc/54/09/74/361540974.db2.gz STTJXWZZULCKNU-CYBMUJFWSA-N 2 0 221.348 1.853 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)CN1 ZINC000629660471 361566343 /nfs/dbraw/zinc/56/63/43/361566343.db2.gz USDZIJYKAIWQLD-VOAKCMCISA-N 2 0 225.380 1.105 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccn(C)c2)CC1 ZINC000629652118 361549703 /nfs/dbraw/zinc/54/97/03/361549703.db2.gz WEFOJAPSEYAXRO-NSHDSACASA-N 2 0 221.348 1.584 20 0 BDADRP Cn1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000629652169 361549826 /nfs/dbraw/zinc/54/98/26/361549826.db2.gz XIPYMGUOWLAXEZ-HUUCEWRRSA-N 2 0 247.386 1.989 20 0 BDADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccn(C)c1 ZINC000629652183 361550328 /nfs/dbraw/zinc/55/03/28/361550328.db2.gz XKOFVEDURXWLAQ-ZDUSSCGKSA-N 2 0 223.364 1.830 20 0 BDADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC1=CCCOC1 ZINC000629652941 361551667 /nfs/dbraw/zinc/55/16/67/361551667.db2.gz FSTUPUMFNQBORP-ZDUSSCGKSA-N 2 0 224.348 1.536 20 0 BDADRP CC[NH2+]CC1CC[NH+](Cc2ccn(C)c2)CC1 ZINC000629651858 361556888 /nfs/dbraw/zinc/55/68/88/361556888.db2.gz MCFSXWCWLFQBNP-UHFFFAOYSA-N 2 0 235.375 1.847 20 0 BDADRP C[NH2+]CC1CC[NH+](CC2=CCCOC2)CC1 ZINC000629651831 361557481 /nfs/dbraw/zinc/55/74/81/361557481.db2.gz LDDJERPEMTUAQY-UHFFFAOYSA-N 2 0 224.348 1.265 20 0 BDADRP C1=C(C[NH2+][C@H]2CCC[NH2+]CC2)COCC1 ZINC000379735189 361574447 /nfs/dbraw/zinc/57/44/47/361574447.db2.gz HGHATYIPZWNGQK-LBPRGKRZSA-N 2 0 210.321 1.065 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000629668706 361588879 /nfs/dbraw/zinc/58/88/79/361588879.db2.gz JEFSNBXWYFEHQI-BFHYXJOUSA-N 2 0 240.391 1.454 20 0 BDADRP CC[C@@H](C)[C@H](C)[NH2+]CCC[N@H+](C)CCOC ZINC000153730782 201247675 /nfs/dbraw/zinc/24/76/75/201247675.db2.gz HPJDMHYVFBPBOM-OLZOCXBDSA-N 2 0 230.396 1.979 20 0 BDADRP C[C@@H]([NH3+])CCC(=O)NCC1([NH3+])CCCCCC1 ZINC000434681713 201234881 /nfs/dbraw/zinc/23/48/81/201234881.db2.gz RADIIWFASVPMTE-LLVKDONJSA-N 2 0 241.379 1.282 20 0 BDADRP CC[N@H+](CC1CCOCC1)[C@@H]1CCC[NH2+]CC1 ZINC000435396082 201267339 /nfs/dbraw/zinc/26/73/39/201267339.db2.gz WNLHISLRGODYBJ-CQSZACIVSA-N 2 0 240.391 1.877 20 0 BDADRP [NH3+]C1CCC([NH2+][C@@H](CO)c2ccccc2)CC1 ZINC000094088957 181342203 /nfs/dbraw/zinc/34/22/03/181342203.db2.gz QGPIBEGHBIBBAN-RUXDESIVSA-N 2 0 234.343 1.580 20 0 BDADRP C[C@@H]([NH3+])Cc1cccc(C2=CC[NH2+]CC2)c1 ZINC000629724098 361665682 /nfs/dbraw/zinc/66/56/82/361665682.db2.gz WHFCFHCNJDESDC-LLVKDONJSA-N 2 0 216.328 1.953 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]C2CCC([NH3+])CC2)c2ccccc21 ZINC000132085528 181342259 /nfs/dbraw/zinc/34/22/59/181342259.db2.gz BIWBCXLRUHKBDH-FBDPFYNOSA-N 3 0 245.370 1.991 20 0 BDADRP C[NH2+]CCC[N@H+](C)CCN(C)c1ccccc1 ZINC000435875383 201292133 /nfs/dbraw/zinc/29/21/33/201292133.db2.gz RWMSQKKFCNJVHW-UHFFFAOYSA-N 2 0 235.375 1.664 20 0 BDADRP c1cc2c(c(C3=CC[NH2+]CC3)c1)C[NH2+]CC2 ZINC000629722423 361662302 /nfs/dbraw/zinc/66/23/02/361662302.db2.gz AMGFBGPPCJITQA-UHFFFAOYSA-N 2 0 214.312 1.709 20 0 BDADRP C[NH2+]CCCN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000435884187 201294978 /nfs/dbraw/zinc/29/49/78/201294978.db2.gz PDOCLXDRGOGNFX-CYBMUJFWSA-N 2 0 225.380 1.156 20 0 BDADRP C[NH2+]CCC[NH+]1CCC(c2ccnn2C)CC1 ZINC000435886084 201295045 /nfs/dbraw/zinc/29/50/45/201295045.db2.gz RWWKMNSMXDWNOU-UHFFFAOYSA-N 2 0 236.363 1.209 20 0 BDADRP C[C@@H]([NH2+]CC(C)(C)O)C1CC[NH+](C)CC1 ZINC000083461285 491161788 /nfs/dbraw/zinc/16/17/88/491161788.db2.gz JOEAAWYFXXJSLZ-SNVBAGLBSA-N 2 0 214.353 1.077 20 0 BDADRP C[N@H+](CC[C@H]1CCOC1)C[C@@H]1CCC[NH+](C)C1 ZINC000437589855 201358955 /nfs/dbraw/zinc/35/89/55/201358955.db2.gz LBNRVCKJASMIDI-UONOGXRCSA-N 2 0 240.391 1.687 20 0 BDADRP C[C@@H]1C[C@@H]([N@H+](C)CC[C@@H]2CCOC2)CCN1C ZINC000438105833 201390956 /nfs/dbraw/zinc/39/09/56/201390956.db2.gz PEFHJSHXFNIHSO-MCIONIFRSA-N 2 0 240.391 1.828 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCOC2(C)C)CC1 ZINC000328275022 363873013 /nfs/dbraw/zinc/87/30/13/363873013.db2.gz XLYZPJQBJYEMLC-GFCCVEGCSA-N 2 0 240.391 1.875 20 0 BDADRP [NH3+]CC1CCC([NH2+]CCC2(O)CCC2)CC1 ZINC000332453163 181363512 /nfs/dbraw/zinc/36/35/12/181363512.db2.gz GYCYQUJNEYMXOS-UHFFFAOYSA-N 2 0 226.364 1.399 20 0 BDADRP [NH3+]CC1CC[NH+](CCCCCF)CC1 ZINC000336697933 181365628 /nfs/dbraw/zinc/36/56/28/181365628.db2.gz VDMGVVIWZIWOBQ-UHFFFAOYSA-N 2 0 202.317 1.797 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000044512134 181365652 /nfs/dbraw/zinc/36/56/52/181365652.db2.gz JZENRRUYAGCMBT-UHFFFAOYSA-N 2 0 220.316 1.563 20 0 BDADRP CCC[NH+]1CCC(N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000398996085 364667276 /nfs/dbraw/zinc/66/72/76/364667276.db2.gz PIQGKAZFZAXFHP-JSGCOSHPSA-N 2 0 239.407 1.591 20 0 BDADRP [NH3+]CCC1CC[NH+](C[C@H]2CCCC[C@H]2O)CC1 ZINC000328141559 364812157 /nfs/dbraw/zinc/81/21/57/364812157.db2.gz BCGJEYXIOMUPIC-ZIAGYGMSSA-N 2 0 240.391 1.598 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccc(C(N)=O)c1 ZINC000573445795 364834865 /nfs/dbraw/zinc/83/48/65/364834865.db2.gz VLXQWFWGTMIQDB-VHSXEESVSA-N 2 0 235.331 1.001 20 0 BDADRP O[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000328376897 364841496 /nfs/dbraw/zinc/84/14/96/364841496.db2.gz UFSYIUORQXFZLU-RFQIPJPRSA-N 2 0 238.375 1.221 20 0 BDADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCS[C@H](C(C)C)C1 ZINC000573570874 364864287 /nfs/dbraw/zinc/86/42/87/364864287.db2.gz NGGRZGOCPKHKIK-RYUDHWBXSA-N 2 0 246.420 1.030 20 0 BDADRP C[C@H](CC[NH3+])NC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000573682679 364892382 /nfs/dbraw/zinc/89/23/82/364892382.db2.gz QLDXDEKKXOGSEZ-ZJUUUORDSA-N 2 0 235.331 1.173 20 0 BDADRP CC[NH2+]CCCNC1CC[NH+](C(C)(C)C)CC1 ZINC000573911804 364942849 /nfs/dbraw/zinc/94/28/49/364942849.db2.gz GDLCPYBWNDQQKX-UHFFFAOYSA-N 2 0 241.423 1.839 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(CO)CCC2)[C@@H](C)C1 ZINC000248496856 541429921 /nfs/dbraw/zinc/42/99/21/541429921.db2.gz QXZJSBAKRHSORI-QWHCGFSZSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H](F)C1)[C@H]1CCC[NH2+]1 ZINC000574084070 364979839 /nfs/dbraw/zinc/97/98/39/364979839.db2.gz SRWCPVOTBCEITE-IRCOFANPSA-N 2 0 214.328 1.997 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H]2CNCC[C@H]2C)CC1 ZINC000574188352 365006888 /nfs/dbraw/zinc/00/68/88/365006888.db2.gz BBJVXDOILGNKQP-TZMCWYRMSA-N 2 0 239.407 1.306 20 0 BDADRP [NH3+]CCC[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000036732161 181380137 /nfs/dbraw/zinc/38/01/37/181380137.db2.gz FTTVVYULJWWQGA-CYBMUJFWSA-N 2 0 226.364 1.759 20 0 BDADRP [NH3+]CCC[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000034492677 181381183 /nfs/dbraw/zinc/38/11/83/181381183.db2.gz UVORGVYHGZVQCX-LBPRGKRZSA-N 2 0 205.305 1.567 20 0 BDADRP CC[NH+](CC)CCCNc1nc(C)ncc1C ZINC000574414797 365058104 /nfs/dbraw/zinc/05/81/04/365058104.db2.gz OZBAQOXQUUGPCY-UHFFFAOYSA-N 2 0 236.363 1.659 20 0 BDADRP CC[C@@H](Cn1cncn1)[NH2+]CCC[NH2+]C(C)C ZINC000574268980 365023600 /nfs/dbraw/zinc/02/36/00/365023600.db2.gz QRUNJVLQGFZXTR-LBPRGKRZSA-N 2 0 239.367 1.034 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000093232462 181398898 /nfs/dbraw/zinc/39/88/98/181398898.db2.gz KHSCZBYSPAZYPZ-AWEZNQCLSA-N 2 0 234.343 1.451 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ccnc(N(C)C)n1 ZINC000443502039 193022099 /nfs/dbraw/zinc/02/20/99/193022099.db2.gz QNQUOYZULFPZCW-WDEREUQCSA-N 2 0 249.362 1.071 20 0 BDADRP Cc1ccc(NC(=O)[C@H]2CC[NH2+]2)c(C[NH+](C)C)c1 ZINC000444180050 193039963 /nfs/dbraw/zinc/03/99/63/193039963.db2.gz FEFQDVNCGOBLFS-CYBMUJFWSA-N 2 0 247.342 1.357 20 0 BDADRP COCC[C@H](C)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000575195356 365237417 /nfs/dbraw/zinc/23/74/17/365237417.db2.gz HNPMFDNHLAOCEE-TUAOUCFPSA-N 2 0 214.353 1.519 20 0 BDADRP CCn1ccnc1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000579567781 366877507 /nfs/dbraw/zinc/87/75/07/366877507.db2.gz FZPJOYJSSKCYGE-GFCCVEGCSA-N 2 0 236.363 1.382 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@](C)(O)C(C)C)CC1 ZINC000336657418 365344879 /nfs/dbraw/zinc/34/48/79/365344879.db2.gz IJCXBNRMFYADBQ-ZDUSSCGKSA-N 2 0 228.380 1.467 20 0 BDADRP CC[NH+]1CCC(NCCC[NH2+]C(C)C)CC1 ZINC000564822898 325812204 /nfs/dbraw/zinc/81/22/04/325812204.db2.gz PJFMSBKKMYUPEQ-UHFFFAOYSA-N 2 0 227.396 1.448 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(O)cc(F)c1 ZINC000581011677 367234144 /nfs/dbraw/zinc/23/41/44/367234144.db2.gz NUQRMEDKSQTDDI-IUCAKERBSA-N 2 0 226.295 1.747 20 0 BDADRP CC[C@@H]1CCCC[N@@H+]1C[C@@H](O)CN(C)CC ZINC000381090976 367350340 /nfs/dbraw/zinc/35/03/40/367350340.db2.gz VCWPMAWRHJOMDV-OLZOCXBDSA-N 2 0 228.380 1.564 20 0 BDADRP CCN(C)C[C@H](O)C[N@H+](CC(C)C)C1CC1 ZINC000381094469 367350662 /nfs/dbraw/zinc/35/06/62/367350662.db2.gz WCSZFXWDXQRABS-ZDUSSCGKSA-N 2 0 228.380 1.419 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000581194253 367290992 /nfs/dbraw/zinc/29/09/92/367290992.db2.gz YFRLCPWIBWRMFN-NNYUYHANSA-N 2 0 241.379 1.101 20 0 BDADRP Cn1cncc1CCC[N@H+](C)Cc1cnccn1 ZINC000581377792 367408720 /nfs/dbraw/zinc/40/87/20/367408720.db2.gz PCORRNITLPWJGG-UHFFFAOYSA-N 2 0 245.330 1.275 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC2(C)C)C1 ZINC000381908708 367469591 /nfs/dbraw/zinc/46/95/91/367469591.db2.gz AIJVORZDXGFITB-VXGBXAGGSA-N 2 0 226.364 1.485 20 0 BDADRP COC[C@@H]([NH2+]CCC[NH2+]C1CC1)C(C)C ZINC000382543293 367535518 /nfs/dbraw/zinc/53/55/18/367535518.db2.gz WTNCQPSLNHNAAT-GFCCVEGCSA-N 2 0 214.353 1.389 20 0 BDADRP C[NH2+]CCSCCC1CC[NH2+]CC1 ZINC000382641932 367549899 /nfs/dbraw/zinc/54/98/99/367549899.db2.gz DRIAAFGEPZIQQL-UHFFFAOYSA-N 2 0 202.367 1.329 20 0 BDADRP OC[C@@H]1CCC[C@H](C[NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000383464532 367624878 /nfs/dbraw/zinc/62/48/78/367624878.db2.gz NKKYIRFFOLFRKW-MJBXVCDLSA-N 2 0 240.391 1.517 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)NC1)C1CC[NH+](C)CC1 ZINC000399134461 367646159 /nfs/dbraw/zinc/64/61/59/367646159.db2.gz PTEXZKSQKCBLTE-YRGRVCCFSA-N 2 0 239.407 1.447 20 0 BDADRP [NH3+]CCC[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000383939414 367660643 /nfs/dbraw/zinc/66/06/43/367660643.db2.gz KZXGOLXDKKPFTI-OAHLLOKOSA-N 2 0 248.370 1.874 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)[C@H](C)O1 ZINC000384685367 367716669 /nfs/dbraw/zinc/71/66/69/367716669.db2.gz BKEDZRHQPWZDSW-AGIUHOORSA-N 2 0 240.391 1.874 20 0 BDADRP Cc1cnccc1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000385048556 367779052 /nfs/dbraw/zinc/77/90/52/367779052.db2.gz QDVHKRWHCXRDDT-GFCCVEGCSA-N 2 0 233.359 1.949 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)CC(C)(C)O ZINC000385056935 367780379 /nfs/dbraw/zinc/78/03/79/367780379.db2.gz UEAFOIINFCMTRS-GHMZBOCLSA-N 2 0 216.369 1.643 20 0 BDADRP C[C@@H](CC(C)(C)C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000385157370 367802678 /nfs/dbraw/zinc/80/26/78/367802678.db2.gz NPOMKKBLYSBKAK-QWHCGFSZSA-N 2 0 242.407 1.857 20 0 BDADRP Cc1ccc(CN(C)C2(C[NH3+])CCC2)nc1 ZINC000385276846 367816407 /nfs/dbraw/zinc/81/64/07/367816407.db2.gz BCSNVWIAJOZBIB-UHFFFAOYSA-N 2 0 219.332 1.703 20 0 BDADRP C[C@@H]1CC[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C[NH2+]1 ZINC000399176051 367851401 /nfs/dbraw/zinc/85/14/01/367851401.db2.gz JUMAUHPUENDMIB-RFGFWPKPSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@H](O)[C@H](C)[NH2+][C@@H](C)C(C)(C)C[NH+](C)C ZINC000581879747 367866239 /nfs/dbraw/zinc/86/62/39/367866239.db2.gz XRIDDOYYIPFEFI-DCAQKATOSA-N 2 0 216.369 1.322 20 0 BDADRP CCn1ccnc1CN[C@@H]1CC[NH2+]CC1(C)C ZINC000385408507 367826175 /nfs/dbraw/zinc/82/61/75/367826175.db2.gz XWEJPGPPQSAYEB-LLVKDONJSA-N 2 0 236.363 1.381 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCOC1)[C@@H]1CCCC[NH2+]1 ZINC000386104476 367912819 /nfs/dbraw/zinc/91/28/19/367912819.db2.gz KISCTQCXYBDGDA-AVGNSLFASA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]([NH2+]CCCOCC1CC1)[C@@H]1CCCC[NH2+]1 ZINC000385955519 367889898 /nfs/dbraw/zinc/88/98/98/367889898.db2.gz DLAJTZJKBFFQAK-OCCSQVGLSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H](CO)C1CCCC1 ZINC000385986734 367893067 /nfs/dbraw/zinc/89/30/67/367893067.db2.gz IQVGLJRZIDQAJH-PWSUYJOCSA-N 2 0 214.353 1.255 20 0 BDADRP COCC1(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)CCC1 ZINC000386376462 367958907 /nfs/dbraw/zinc/95/89/07/367958907.db2.gz CGELLNHAKPLXEV-CHWSQXEVSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H]1CCC[C@H]([NH2+]CCN2CC[NH2+]CC2)C1 ZINC000022793121 367985207 /nfs/dbraw/zinc/98/52/07/367985207.db2.gz SIFVZCGEGKAGEN-STQMWFEESA-N 2 0 225.380 1.060 20 0 BDADRP C[C@H]([NH2+]CCC[NH2+]C1CC1)[C@@H]1CCCOC1 ZINC000386936724 368036472 /nfs/dbraw/zinc/03/64/72/368036472.db2.gz PYXCDODTEZEBTM-NWDGAFQWSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]([NH2+]CCC[NH2+]C1CC1)[C@H]1CCCOC1 ZINC000386936723 368036497 /nfs/dbraw/zinc/03/64/97/368036497.db2.gz PYXCDODTEZEBTM-NEPJUHHUSA-N 2 0 226.364 1.533 20 0 BDADRP COC[C@@H](C)C[NH2+]C(C)(C)CCC[NH+](C)C ZINC000387346883 368157802 /nfs/dbraw/zinc/15/78/02/368157802.db2.gz RGSVHPVVZAKNSK-LBPRGKRZSA-N 2 0 230.396 1.979 20 0 BDADRP CCCC[C@@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000442723751 201596300 /nfs/dbraw/zinc/59/63/00/201596300.db2.gz ZQCWMIYYYBXUBL-OLZOCXBDSA-N 2 0 249.358 1.320 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000566423163 326044439 /nfs/dbraw/zinc/04/44/39/326044439.db2.gz BZAKABKPWMNPFX-GRYCIOLGSA-N 2 0 226.364 1.220 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C[C@@H]2CCCOC2)C1 ZINC000111320307 368856908 /nfs/dbraw/zinc/85/69/08/368856908.db2.gz RMVQYHBINMRXKQ-KGLIPLIRSA-N 2 0 240.391 1.733 20 0 BDADRP Cc1cccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000086403943 368879583 /nfs/dbraw/zinc/87/95/83/368879583.db2.gz ZFQSGMMMBGCTCO-NWDGAFQWSA-N 2 0 219.332 1.750 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCOCC(F)(F)F)C1 ZINC000086404274 368881392 /nfs/dbraw/zinc/88/13/92/368881392.db2.gz FPUISHNPRBJANS-RKDXNWHRSA-N 2 0 240.269 1.425 20 0 BDADRP OC1(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)CCCC1 ZINC000087459861 368894463 /nfs/dbraw/zinc/89/44/63/368894463.db2.gz ZTFWISQTTQEWAV-GFCCVEGCSA-N 2 0 238.375 1.365 20 0 BDADRP OCC1([NH2+]C[C@@H]2CCC(F)(F)C2)CC[NH2+]CC1 ZINC000631829666 369005031 /nfs/dbraw/zinc/00/50/31/369005031.db2.gz XBGWZNXSGWLQMM-SNVBAGLBSA-N 2 0 248.317 1.126 20 0 BDADRP C[C@H]1OCC[C@H]1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000631826870 368989637 /nfs/dbraw/zinc/98/96/37/368989637.db2.gz YUKJKAZQJVDPAS-OLZOCXBDSA-N 2 0 238.375 1.487 20 0 BDADRP C[NH+]1CCC(NC[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000623656177 368992802 /nfs/dbraw/zinc/99/28/02/368992802.db2.gz OQEXLSZGIQGPHZ-CYBMUJFWSA-N 2 0 239.407 1.402 20 0 BDADRP Cc1ccncc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631836835 369084007 /nfs/dbraw/zinc/08/40/07/369084007.db2.gz HQZXUEVWTXVJOM-NWDGAFQWSA-N 2 0 219.332 1.417 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@H](C)O)C[C@@H]1C ZINC000459356912 203267197 /nfs/dbraw/zinc/26/71/97/203267197.db2.gz LNZMECABCNOBID-SDDRHHMPSA-N 2 0 214.353 1.172 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)C1 ZINC000459630790 203323095 /nfs/dbraw/zinc/32/30/95/203323095.db2.gz JAHBVNPYXCGZLS-FQUUOJAGSA-N 2 0 240.391 1.874 20 0 BDADRP C[NH+](C)C[C@@H]1CCCCN1C(=O)CCCC[NH3+] ZINC000404905828 369439106 /nfs/dbraw/zinc/43/91/06/369439106.db2.gz YRCHZKSCRWEXNT-LBPRGKRZSA-N 2 0 241.379 1.058 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459779879 203364689 /nfs/dbraw/zinc/36/46/89/203364689.db2.gz LPVDOCLZKRNAAV-RDBSUJKOSA-N 2 0 240.391 1.733 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2C[C@H]1CS2 ZINC000459784630 203368581 /nfs/dbraw/zinc/36/85/81/203368581.db2.gz AHFGUQBRRAHFRS-WOPDTQHZSA-N 2 0 226.389 1.660 20 0 BDADRP C[NH2+]CCC1CC[NH+](CC2(F)CC2)CC1 ZINC000309656799 370241357 /nfs/dbraw/zinc/24/13/57/370241357.db2.gz WECDPUQWEAFLID-UHFFFAOYSA-N 2 0 214.328 1.810 20 0 BDADRP [NH3+]C[C@H]1CCN(Cc2cncc(Cl)c2)C1 ZINC000621773936 370518612 /nfs/dbraw/zinc/51/86/12/370518612.db2.gz GOUNGHPGVVCSOS-SECBINFHSA-N 2 0 225.723 1.516 20 0 BDADRP CCOCCC[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621782197 370531017 /nfs/dbraw/zinc/53/10/17/370531017.db2.gz NMMJSDXWUSXPSO-NWDGAFQWSA-N 2 0 212.337 1.226 20 0 BDADRP [NH3+][C@]12CCC[C@H]1C[N@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000621784480 370535210 /nfs/dbraw/zinc/53/52/10/370535210.db2.gz PNJUQRKJEWUDRJ-RDBSUJKOSA-N 3 0 237.391 1.189 20 0 BDADRP [NH3+][C@]12CCC[C@H]1C[N@H+](CC1CC=CC1)C2 ZINC000621784504 370535398 /nfs/dbraw/zinc/53/53/98/370535398.db2.gz PWFDQAXUOMBWNB-STQMWFEESA-N 2 0 206.333 1.766 20 0 BDADRP C(CN1CCC[C@@H]2C[NH2+]CC[C@@H]21)[C@H]1CC[NH2+]C1 ZINC000631890338 371005305 /nfs/dbraw/zinc/00/53/05/371005305.db2.gz OVQZZJZXNOCPCV-MCIONIFRSA-N 2 0 237.391 1.060 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc[nH]c2=O)CN1C1CC1 ZINC000623777951 371089192 /nfs/dbraw/zinc/08/91/92/371089192.db2.gz YGAMIDPUOIYWGR-ZYHUDNBSSA-N 2 0 247.342 1.502 20 0 BDADRP CC[C@H]1CCC[C@H]([NH2+]CCN2CC[C@H](O)C2)C1 ZINC000623836816 371119574 /nfs/dbraw/zinc/11/95/74/371119574.db2.gz KTDUXTCPADZVIA-IHRRRGAJSA-N 2 0 240.391 1.611 20 0 BDADRP CC[N@@H+]1CC[C@@H](NC[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC000624100811 371306812 /nfs/dbraw/zinc/30/68/12/371306812.db2.gz JOZOLLDQHBAEDZ-MGPQQGTHSA-N 2 0 239.407 1.401 20 0 BDADRP C[N@@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCOC2(C)C)C1 ZINC000624123524 371324995 /nfs/dbraw/zinc/32/49/95/371324995.db2.gz NPUUGENICQTFPM-QWHCGFSZSA-N 2 0 240.391 1.875 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@H]2C[C@@H](O)C2)CC1 ZINC000624219977 371408403 /nfs/dbraw/zinc/40/84/03/371408403.db2.gz FNRSSDWOSRNJLO-BJHJDKERSA-N 2 0 226.364 1.221 20 0 BDADRP O[C@@H]1CCN(CC[NH2+][C@H]2CC[C@H]2C2CCC2)C1 ZINC000624230852 371418590 /nfs/dbraw/zinc/41/85/90/371418590.db2.gz JGEXREUWFVTGER-RDBSUJKOSA-N 2 0 238.375 1.221 20 0 BDADRP CO[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000624300603 371468031 /nfs/dbraw/zinc/46/80/31/371468031.db2.gz LZGQFRPPAVMFOM-QSLWVIQJSA-N 2 0 238.375 1.626 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000624309734 371472611 /nfs/dbraw/zinc/47/26/11/371472611.db2.gz WBQHUEFPGDIOBM-WUHRBBMRSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@](C[NH3+])([NH2+]C[C@H]1CCCCO1)C1CC1 ZINC000631823155 372586038 /nfs/dbraw/zinc/58/60/38/372586038.db2.gz XKTFYJCXFZYACF-VXGBXAGGSA-N 2 0 212.337 1.273 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000631820501 372593461 /nfs/dbraw/zinc/59/34/61/372593461.db2.gz BBWWORVPCJPKGN-NWDGAFQWSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@H+](C)C1CC[NH2+]CC1 ZINC000631821115 372595867 /nfs/dbraw/zinc/59/58/67/372595867.db2.gz PGQVHRMIVMVSBS-WDEREUQCSA-N 2 0 212.337 1.095 20 0 BDADRP CC[NH2+]CC1CC[NH+](C[C@H]2CCO[C@H]2C)CC1 ZINC000631821896 372597012 /nfs/dbraw/zinc/59/70/12/372597012.db2.gz MJWLGZJAHISKQY-GXTWGEPZSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H]1OCC[C@@H]1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000631822039 372597268 /nfs/dbraw/zinc/59/72/68/372597268.db2.gz RCKGMUIHXMMRKK-GHMZBOCLSA-N 2 0 214.353 1.328 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000631827670 372607884 /nfs/dbraw/zinc/60/78/84/372607884.db2.gz UHOLKMFNFISUIP-BFHYXJOUSA-N 2 0 238.375 1.487 20 0 BDADRP [NH3+][C@@H]1CCCCCN(CCOCC2CC2)C1 ZINC000631833882 372618453 /nfs/dbraw/zinc/61/84/53/372618453.db2.gz KWKKBEVTJSMAEP-CYBMUJFWSA-N 2 0 226.364 1.616 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@H]2CCCCO2)C[C@H]1C[NH3+] ZINC000631836721 372625903 /nfs/dbraw/zinc/62/59/03/372625903.db2.gz FTKHCKMVVAAXRH-JHJVBQTASA-N 2 0 226.364 1.472 20 0 BDADRP CCC1([NH+](C)C)CCN(CCC[NH2+]C)CC1 ZINC000631865722 372667091 /nfs/dbraw/zinc/66/70/91/372667091.db2.gz NLPNTFZKNDIRGJ-UHFFFAOYSA-N 2 0 227.396 1.402 20 0 BDADRP C([NH2+][C@]12CCC[C@@H]1C[NH2+]C2)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000631867110 372667853 /nfs/dbraw/zinc/66/78/53/372667853.db2.gz JODCJLHVNQBHBR-ITGHMWBKSA-N 2 0 220.360 1.764 20 0 BDADRP CCOCCC[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631867877 372669835 /nfs/dbraw/zinc/66/98/35/372669835.db2.gz NKCITMJBZSNYRN-NEPJUHHUSA-N 2 0 212.337 1.145 20 0 BDADRP CCOCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631883899 372679300 /nfs/dbraw/zinc/67/93/00/372679300.db2.gz DAWMGYCYFGWGLD-RYUDHWBXSA-N 2 0 212.337 1.097 20 0 BDADRP Cn1cc(CC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cn1 ZINC000631888881 372684172 /nfs/dbraw/zinc/68/41/72/372684172.db2.gz CRMWDLCVQMZUCA-KGLIPLIRSA-N 2 0 248.374 1.037 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@H]1CCOC[C@H]1C ZINC000192131086 205945143 /nfs/dbraw/zinc/94/51/43/205945143.db2.gz AESSWNBOJIOKEP-OLZOCXBDSA-N 2 0 228.380 1.733 20 0 BDADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccncc2)C1 ZINC000459730597 206014256 /nfs/dbraw/zinc/01/42/56/206014256.db2.gz KTWLQWXCFWRJSY-AWEZNQCLSA-N 2 0 233.359 1.903 20 0 BDADRP COC[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(C)C ZINC000424381425 206038454 /nfs/dbraw/zinc/03/84/54/206038454.db2.gz YZAQXWFOVBGBCH-IJLUTSLNSA-N 2 0 214.353 1.517 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424378134 206039918 /nfs/dbraw/zinc/03/99/18/206039918.db2.gz SFCSOMCDABTUED-YVECIDJPSA-N 2 0 208.349 1.892 20 0 BDADRP Cn1ccnc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000428225185 206057066 /nfs/dbraw/zinc/05/70/66/206057066.db2.gz NAGXMPGFACERRK-UHFFFAOYSA-N 2 0 236.363 1.383 20 0 BDADRP C[C@H]([NH3+])CCNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000429036868 206060199 /nfs/dbraw/zinc/06/01/99/206060199.db2.gz VBUSQNSJTWGBLB-SDDRHHMPSA-N 2 0 241.379 1.138 20 0 BDADRP CCOCCCC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000165112913 206139271 /nfs/dbraw/zinc/13/92/71/206139271.db2.gz HGOGWEQAJWXORT-STQMWFEESA-N 2 0 228.380 1.733 20 0 BDADRP O=C(Nc1ccc2c(c1)C[NH2+]CC2)[C@H]1CCC[NH2+]1 ZINC000261684235 182364131 /nfs/dbraw/zinc/36/41/31/182364131.db2.gz HYJIQZOJAFUUBB-CYBMUJFWSA-N 2 0 245.326 1.023 20 0 BDADRP CCCCOCC[NH2+][C@@H](C)CCC[NH3+] ZINC000308550907 168901894 /nfs/dbraw/zinc/90/18/94/168901894.db2.gz RVBHTBFPQKNANE-NSHDSACASA-N 2 0 202.342 1.520 20 0 BDADRP C[NH+](C)CCN(CC[NH+](C)C)CC1(C)CCC1 ZINC000685456960 487528251 /nfs/dbraw/zinc/52/82/51/487528251.db2.gz JXQRHTDMXHCMJP-UHFFFAOYSA-N 2 0 241.423 1.602 20 0 BDADRP O[C@@H](C[NH2+]C1CCCCC1)C[NH+]1CCCC1 ZINC000037859671 183179775 /nfs/dbraw/zinc/17/97/75/183179775.db2.gz CECRAZNALWXPHD-ZDUSSCGKSA-N 2 0 226.364 1.365 20 0 BDADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)CC)C1 ZINC000304707763 169078703 /nfs/dbraw/zinc/07/87/03/169078703.db2.gz LCOZQQKEEJOERJ-OLZOCXBDSA-N 2 0 228.380 1.421 20 0 BDADRP CCC[N@H+](CC)CCNC(=O)[C@](C)([NH3+])CCC ZINC000226407791 169121071 /nfs/dbraw/zinc/12/10/71/169121071.db2.gz PMRCSVCVMDDBMB-CYBMUJFWSA-N 2 0 243.395 1.352 20 0 BDADRP CCC[N@H+](CC)CCN[C@@H]1C[NH+](C)C[C@H]1C ZINC000336738996 169124114 /nfs/dbraw/zinc/12/41/14/169124114.db2.gz OQZSKHNNYMERLD-CHWSQXEVSA-N 2 0 227.396 1.258 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)NC1CC[NH+](C)CC1 ZINC000353075695 169127394 /nfs/dbraw/zinc/12/73/94/169127394.db2.gz YRZYXIGSQDEACG-ZDUSSCGKSA-N 2 0 241.423 1.791 20 0 BDADRP CCC[NH+]1CCC([N@H+](C)CCC[C@@H](C)O)CC1 ZINC000336722924 169186864 /nfs/dbraw/zinc/18/68/64/169186864.db2.gz TXULEIRIAFBMGL-CYBMUJFWSA-N 2 0 242.407 1.954 20 0 BDADRP CCC[NH+]1CCC([N@H+](C)CCCCO)CC1 ZINC000303987899 169187069 /nfs/dbraw/zinc/18/70/69/169187069.db2.gz JOMXPOYEXHDHSV-UHFFFAOYSA-N 2 0 228.380 1.565 20 0 BDADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)COC)CC1 ZINC000122807916 169187320 /nfs/dbraw/zinc/18/73/20/169187320.db2.gz DYLKISSZAPBBEX-LBPRGKRZSA-N 2 0 228.380 1.733 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H]2C[C@@H](O)C2(C)C)CC1 ZINC000129223984 169189401 /nfs/dbraw/zinc/18/94/01/169189401.db2.gz UUMWCLIHJGMBGR-QWHCGFSZSA-N 2 0 240.391 1.610 20 0 BDADRP CCC[NH+]1CCC(N[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000341898837 169189962 /nfs/dbraw/zinc/18/99/62/169189962.db2.gz UQNGRWHXWDTIPQ-TZMCWYRMSA-N 2 0 239.407 1.401 20 0 BDADRP c1c[nH]c([C@@H]2CCC[N@@H+]([C@H]3CCOC3)C2)n1 ZINC000336553997 183328244 /nfs/dbraw/zinc/32/82/44/183328244.db2.gz YZHYVBONUNSFDT-MNOVXSKESA-N 2 0 221.304 1.378 20 0 BDADRP CCC[NH+]1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000062910948 169203094 /nfs/dbraw/zinc/20/30/94/169203094.db2.gz IETACENYTHJYOT-CYBMUJFWSA-N 2 0 225.380 1.014 20 0 BDADRP CCCNC(=[NH2+])NCCC[N@@H+]1CCCC[C@@H]1C ZINC000052041114 169211996 /nfs/dbraw/zinc/21/19/96/169211996.db2.gz SPKQUFJBMBRKAC-LBPRGKRZSA-N 2 0 240.395 1.775 20 0 BDADRP c1[nH+]cn2cc(C[NH2+][C@H]3CCOC3)ccc12 ZINC000297452298 183376480 /nfs/dbraw/zinc/37/64/80/183376480.db2.gz HFZWHVGWBOXZSI-NSHDSACASA-N 2 0 217.272 1.213 20 0 BDADRP c1ccc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)nc1 ZINC000250248404 183395356 /nfs/dbraw/zinc/39/53/56/183395356.db2.gz NHUGJRHRYWUHQN-GJZGRUSLSA-N 2 0 245.370 1.841 20 0 BDADRP COC1CC([NH2+]C[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000220857725 134315918 /nfs/dbraw/zinc/31/59/18/134315918.db2.gz RNJGGFIBJHBHGW-IYXRBSQSSA-N 2 0 240.391 1.875 20 0 BDADRP CCC[C@@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000036999116 169390980 /nfs/dbraw/zinc/39/09/80/169390980.db2.gz FVKSRTGKUPTNGI-NWDGAFQWSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000222584859 134332735 /nfs/dbraw/zinc/33/27/35/134332735.db2.gz XTXMTVKUYCCXRQ-IGQOVBAYSA-N 2 0 242.407 1.713 20 0 BDADRP C[C@@H]([NH3+])CN1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000307661862 532962460 /nfs/dbraw/zinc/96/24/60/532962460.db2.gz VKKQNTABBKSMGE-ZIAGYGMSSA-N 2 0 247.386 1.540 20 0 BDADRP Cc1c[nH+]ccc1NCC[C@H]1CC[NH2+]C1 ZINC000070047653 383859384 /nfs/dbraw/zinc/85/93/84/383859384.db2.gz UBJXZOOYIXDSSF-LLVKDONJSA-N 2 0 205.305 1.802 20 0 BDADRP Cc1c[nH+]ccc1NCC[C@@H]1CC[NH2+]C1 ZINC000070047652 383860676 /nfs/dbraw/zinc/86/06/76/383860676.db2.gz UBJXZOOYIXDSSF-NSHDSACASA-N 2 0 205.305 1.802 20 0 BDADRP CC[C@H](O)[C@H](CC)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000313090357 383866454 /nfs/dbraw/zinc/86/64/54/383866454.db2.gz ACQLIBKQBBEQLB-RFGFWPKPSA-N 2 0 240.391 1.752 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](C)N(C)C ZINC000308646283 383877697 /nfs/dbraw/zinc/87/76/97/383877697.db2.gz HOLBLHBXBFHANK-QWRGUYRKSA-N 2 0 201.358 1.044 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H]2COCC2(C)C)CC1 ZINC000313127827 383921111 /nfs/dbraw/zinc/92/11/11/383921111.db2.gz WFNWORVFOUWKBX-CYBMUJFWSA-N 2 0 240.391 1.875 20 0 BDADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+]([C@@H]1CCOC1)C2 ZINC000643611306 383927389 /nfs/dbraw/zinc/92/73/89/383927389.db2.gz JFOYBJKGKQLLBJ-CHWSQXEVSA-N 2 0 224.348 1.193 20 0 BDADRP CC[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)[C@@H](O)CC ZINC000313106218 383885612 /nfs/dbraw/zinc/88/56/12/383885612.db2.gz XPMLWVKRLOQLHI-UTUOFQBUSA-N 2 0 214.353 1.268 20 0 BDADRP Cc1cnc(CC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c(C)c1 ZINC000401131479 383981367 /nfs/dbraw/zinc/98/13/67/383981367.db2.gz QHZDDEONCDWVMB-KBPBESRZSA-N 2 0 245.370 1.392 20 0 BDADRP [NH3+]CC[C@H]1CCC[N@H+](C[C@@H]2CCSC2)C1 ZINC000224613591 383974551 /nfs/dbraw/zinc/97/45/51/383974551.db2.gz PGVRWERXTDXRAT-NEPJUHHUSA-N 2 0 228.405 1.800 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000643545310 384012032 /nfs/dbraw/zinc/01/20/32/384012032.db2.gz YBJMMTYPBHGQTH-TZMCWYRMSA-N 3 0 239.407 1.448 20 0 BDADRP COC[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)C1CC1 ZINC000643545993 384014215 /nfs/dbraw/zinc/01/42/15/384014215.db2.gz GTZXCRNAFWPMGY-OLZOCXBDSA-N 2 0 238.375 1.676 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+]CCC2=CC[NH2+]CC2)C1 ZINC000643545619 384015486 /nfs/dbraw/zinc/01/54/86/384015486.db2.gz PBGFOGRCYKRASD-KGLIPLIRSA-N 2 0 238.375 1.843 20 0 BDADRP C[NH+](C)[C@H]1CCC[N@H+](CC2(O)CCCC2)CC1 ZINC000336514471 384044859 /nfs/dbraw/zinc/04/48/59/384044859.db2.gz JXNKRKFQCWWNAW-ZDUSSCGKSA-N 2 0 240.391 1.708 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643547866 384037805 /nfs/dbraw/zinc/03/78/05/384037805.db2.gz KAFLCAJCTSWQAQ-UPJWGTAASA-N 2 0 237.391 1.249 20 0 BDADRP Cn1ccc(C[NH2+]CCC[NH+]2CCCCC2)c1 ZINC000091007231 384089643 /nfs/dbraw/zinc/08/96/43/384089643.db2.gz RHFHGXWBKNBLDI-UHFFFAOYSA-N 2 0 235.375 1.991 20 0 BDADRP CC(C)c1noc(CN2CC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000163178287 384069290 /nfs/dbraw/zinc/06/92/90/384069290.db2.gz SAXXDOFIQOMDRF-NXEZZACHSA-N 2 0 238.335 1.362 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000394103403 384100932 /nfs/dbraw/zinc/10/09/32/384100932.db2.gz WLPPEHDXZWXZBM-AVGNSLFASA-N 2 0 228.380 1.358 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H]2CN(C)C[C@@H]2C)CC1 ZINC000569483574 384109275 /nfs/dbraw/zinc/10/92/75/384109275.db2.gz HXRCRZKSRFGDOS-GXTWGEPZSA-N 3 0 239.407 1.258 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H]2CN(C)C[C@@H]2C)CC1 ZINC000569483579 384109631 /nfs/dbraw/zinc/10/96/31/384109631.db2.gz HXRCRZKSRFGDOS-JSGCOSHPSA-N 3 0 239.407 1.258 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H]2CO[C@@H](C)C2)CC1 ZINC000401871842 384185878 /nfs/dbraw/zinc/18/58/78/384185878.db2.gz CJGFQQZDZVFGPC-WCQYABFASA-N 2 0 226.364 1.485 20 0 BDADRP c1cncc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000041214231 384182764 /nfs/dbraw/zinc/18/27/64/384182764.db2.gz CFVOOEUOPWEGST-GFCCVEGCSA-N 2 0 205.305 1.171 20 0 BDADRP C[C@@]1(C[NH3+])CC[N@H+](CCc2ccccc2)C1 ZINC000235438781 384230175 /nfs/dbraw/zinc/23/01/75/384230175.db2.gz AAUAJOPHONLHPR-AWEZNQCLSA-N 2 0 218.344 1.900 20 0 BDADRP Cn1cccc1C[NH2+]CCC1CC[NH+](C)CC1 ZINC000119079597 384232593 /nfs/dbraw/zinc/23/25/93/384232593.db2.gz ARWURFUZPWXKKU-UHFFFAOYSA-N 2 0 235.375 1.847 20 0 BDADRP COC1(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)CCCC1 ZINC000319229998 384213931 /nfs/dbraw/zinc/21/39/31/384213931.db2.gz VBNXAYLFBAIROM-NEPJUHHUSA-N 2 0 226.364 1.615 20 0 BDADRP C[C@H]([NH3+])[C@H]1CN(C[C@@H]2CCC(F)(F)C2)CCO1 ZINC000302509662 384218587 /nfs/dbraw/zinc/21/85/87/384218587.db2.gz VAZDHAMNCUSYBZ-HBNTYKKESA-N 2 0 248.317 1.470 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]CCC[NH3+])C1(C)C ZINC000082922845 384276894 /nfs/dbraw/zinc/27/68/94/384276894.db2.gz SSAFJJMYJKYNKU-VHSXEESVSA-N 2 0 200.326 1.128 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)O)[C@H](C)C1 ZINC000173647387 384244666 /nfs/dbraw/zinc/24/46/66/384244666.db2.gz ZTPMKOLFQFEDGW-MNOVXSKESA-N 2 0 214.353 1.077 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000644166525 384256243 /nfs/dbraw/zinc/25/62/43/384256243.db2.gz WHHVMMDULLOLCW-FDYHWXHSSA-N 2 0 226.364 1.804 20 0 BDADRP COC[C@@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000173792066 384262997 /nfs/dbraw/zinc/26/29/97/384262997.db2.gz VTMUJJHESIKAFA-VXGBXAGGSA-N 2 0 214.353 1.295 20 0 BDADRP CC1(C)CCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000069793380 384354280 /nfs/dbraw/zinc/35/42/80/384354280.db2.gz ZEDGKPYCRDLGFS-UHFFFAOYSA-N 2 0 225.380 1.014 20 0 BDADRP CO[C@H](CC(C)C)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000642705283 384414536 /nfs/dbraw/zinc/41/45/36/384414536.db2.gz ILTLNBINXXMAFR-HZSPNIEDSA-N 2 0 240.391 1.541 20 0 BDADRP Cc1ncc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])s1 ZINC000084220476 384376852 /nfs/dbraw/zinc/37/68/52/384376852.db2.gz DSLMSISFLFEDPL-GXSJLCMTSA-N 2 0 225.361 1.669 20 0 BDADRP c1cc2cc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)ccc2[nH]1 ZINC000628191173 384451704 /nfs/dbraw/zinc/45/17/04/384451704.db2.gz BMCCACMREPQQGB-ZIAGYGMSSA-N 2 0 241.338 1.819 20 0 BDADRP CC[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@@H](C)O ZINC000449542735 384466707 /nfs/dbraw/zinc/46/67/07/384466707.db2.gz MZHPZWMZTIECKB-YPMHNXCESA-N 2 0 242.407 1.998 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCOC)[C@H](C)C1 ZINC000175720425 384476371 /nfs/dbraw/zinc/47/63/71/384476371.db2.gz DLSVTZIRRIHKAE-OLZOCXBDSA-N 2 0 228.380 1.685 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@H]1C)[C@@H](C)O ZINC000449547085 384499128 /nfs/dbraw/zinc/49/91/28/384499128.db2.gz XEAKCDOTOZVJQT-VCDKRKBESA-N 2 0 226.364 1.218 20 0 BDADRP COCCCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150785162 384508002 /nfs/dbraw/zinc/50/80/02/384508002.db2.gz ISHDKPSJLSTFEK-CQSZACIVSA-N 2 0 240.391 1.831 20 0 BDADRP C[C@H]([NH2+]CCC[NH3+])c1ccc(F)c(F)c1 ZINC000037713313 384513935 /nfs/dbraw/zinc/51/39/35/384513935.db2.gz CSQYPRJTUDSDPS-QMMMGPOBSA-N 2 0 214.259 1.964 20 0 BDADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2CO[C@@H](C)C2)CC1 ZINC000402164501 384531237 /nfs/dbraw/zinc/53/12/37/384531237.db2.gz SATZZMRDRRCBPW-JSGCOSHPSA-N 2 0 240.391 1.874 20 0 BDADRP CCOCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000151149681 384545379 /nfs/dbraw/zinc/54/53/79/384545379.db2.gz HDXXEGMXZACHTO-CQSZACIVSA-N 2 0 240.391 1.973 20 0 BDADRP CC[NH2+]CCCNC(=O)[C@@H](CC(C)(C)C)[NH2+]C ZINC000561182684 384548217 /nfs/dbraw/zinc/54/82/17/384548217.db2.gz LYQCJTAUGHXKSM-LLVKDONJSA-N 2 0 243.395 1.126 20 0 BDADRP Cc1cc(N2CCC([C@H](C)[NH3+])CC2)cc[nH+]1 ZINC000229518327 384549080 /nfs/dbraw/zinc/54/90/80/384549080.db2.gz XRPRITAXFDIGGF-NSHDSACASA-N 2 0 219.332 1.954 20 0 BDADRP CC(C)(C)C[N@H+](CCO)CC[C@@H]1CCC[NH2+]C1 ZINC000643057851 384562262 /nfs/dbraw/zinc/56/22/62/384562262.db2.gz MBQBDQYMKXSEKG-ZDUSSCGKSA-N 2 0 242.407 1.717 20 0 BDADRP CC(C)[NH2+]C1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000569609224 384539290 /nfs/dbraw/zinc/53/92/90/384539290.db2.gz VJTRVCWQKSTOMA-ZDUSSCGKSA-N 3 0 239.407 1.448 20 0 BDADRP CCOC[C@@H]1CC[N@H+](CCn2ccnc2)C1 ZINC000162139694 384578391 /nfs/dbraw/zinc/57/83/91/384578391.db2.gz FNDGMSMFWIXBRJ-GFCCVEGCSA-N 2 0 223.320 1.242 20 0 BDADRP C(CN1CC[C@@H]2CC[NH2+][C@H]2C1)[C@H]1CCCCO1 ZINC000643064882 384588126 /nfs/dbraw/zinc/58/81/26/384588126.db2.gz DRXLGQXEYZCDAM-MJBXVCDLSA-N 2 0 238.375 1.629 20 0 BDADRP CC[NH2+]CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000151363099 384567712 /nfs/dbraw/zinc/56/77/12/384567712.db2.gz QWEMKWPSWCJTLC-UHFFFAOYSA-N 2 0 249.358 1.088 20 0 BDADRP CC(C)[N@@H+](C)C[C@H](C)NC1CC[NH+](C)CC1 ZINC000336650639 384612591 /nfs/dbraw/zinc/61/25/91/384612591.db2.gz DUBSSVNRLCQDFV-LBPRGKRZSA-N 2 0 227.396 1.399 20 0 BDADRP C[C@H](O)CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000334624980 384617739 /nfs/dbraw/zinc/61/77/39/384617739.db2.gz SEEGXRPWHTWIFS-STQMWFEESA-N 2 0 226.364 1.175 20 0 BDADRP [NH3+]Cc1cn([C@H]2CCC[N@H+](CC3CCC3)C2)nn1 ZINC000643080237 384619756 /nfs/dbraw/zinc/61/97/56/384619756.db2.gz KZCHNLIPMCBHKK-ZDUSSCGKSA-N 2 0 249.362 1.174 20 0 BDADRP CCC[C@H](C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])OC ZINC000356330617 384626796 /nfs/dbraw/zinc/62/67/96/384626796.db2.gz HFNBAKSHSHIHFA-UPJWGTAASA-N 2 0 228.380 1.909 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CCC(C)(F)F ZINC000357725046 384684064 /nfs/dbraw/zinc/68/40/64/384684064.db2.gz BOEWQPXFLMRGGY-VIFPVBQESA-N 2 0 224.295 1.375 20 0 BDADRP Cn1cc(C[N@H+](C)CC[C@H]2CCC[NH2+]C2)cn1 ZINC000051919538 384701945 /nfs/dbraw/zinc/70/19/45/384701945.db2.gz UJOQRUCIUPUNCD-GFCCVEGCSA-N 2 0 236.363 1.242 20 0 BDADRP COC[C@@H](C)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000647554239 384773216 /nfs/dbraw/zinc/77/32/16/384773216.db2.gz UYJOZESSVCDFDY-RYUDHWBXSA-N 2 0 226.364 1.533 20 0 BDADRP CC[NH+](CC)CCCN1CC[NH2+]C[C@@H]1C(C)C ZINC000083369862 384773469 /nfs/dbraw/zinc/77/34/69/384773469.db2.gz IHCBMRODWRHGJK-CQSZACIVSA-N 2 0 241.423 1.648 20 0 BDADRP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCCCN1 ZINC000647546231 384729794 /nfs/dbraw/zinc/72/97/94/384729794.db2.gz GEWQWGFMUPTGCZ-IGQOVBAYSA-N 2 0 237.391 1.106 20 0 BDADRP CC(C)C[C@H](CN)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647546160 384730275 /nfs/dbraw/zinc/73/02/75/384730275.db2.gz BVJQFDNQDXTROZ-AAVRWANBSA-N 2 0 239.407 1.338 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](N[C@H](C[NH3+])C2CCCCC2)C1 ZINC000647546131 384730295 /nfs/dbraw/zinc/73/02/95/384730295.db2.gz AJXFWGBZDYAGCT-IACUBPJLSA-N 2 0 239.407 1.482 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCc2cccnc2)C1 ZINC000173897847 384732250 /nfs/dbraw/zinc/73/22/50/384732250.db2.gz FYDAUNCWVFYDEE-HNNXBMFYSA-N 2 0 247.386 1.898 20 0 BDADRP C[NH+](C)CCC[NH2+][C@@H]1CCC12CCOCC2 ZINC000309945004 384732560 /nfs/dbraw/zinc/73/25/60/384732560.db2.gz CZWTVZAFLAYRQC-GFCCVEGCSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC000647546906 384733570 /nfs/dbraw/zinc/73/35/70/384733570.db2.gz GYGBFICLFKDXOO-RYUDHWBXSA-N 3 0 213.369 1.093 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](Nc2ccc(C[NH3+])cc2)C1 ZINC000647546861 384734708 /nfs/dbraw/zinc/73/47/08/384734708.db2.gz FDILKKWLZNDMMR-GWCFXTLKSA-N 2 0 219.332 1.555 20 0 BDADRP FC1(F)CCC[N@H+](C[C@H]2CC[NH2+]C2)CC1 ZINC000259007122 384735902 /nfs/dbraw/zinc/73/59/02/384735902.db2.gz XJJDGWDWBVESQN-JTQLQIEISA-N 2 0 218.291 1.717 20 0 BDADRP C[NH2+]Cc1cccc(N[C@@H]2C[NH2+]C[C@H](C)C2)c1 ZINC000647547139 384736931 /nfs/dbraw/zinc/73/69/31/384736931.db2.gz OVNSMQNTOKUKEM-RISCZKNCSA-N 2 0 233.359 1.816 20 0 BDADRP C[C@@H]1CNC[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000647547990 384750577 /nfs/dbraw/zinc/75/05/77/384750577.db2.gz QJUBRCGVHQUSTI-XDQVBPFNSA-N 2 0 239.407 1.339 20 0 BDADRP C[C@@H]1CNC[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000647547991 384751510 /nfs/dbraw/zinc/75/15/10/384751510.db2.gz QJUBRCGVHQUSTI-XUXIUFHCSA-N 2 0 239.407 1.339 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](CCCOCc2ccccc2)C1 ZINC000309973285 384754400 /nfs/dbraw/zinc/75/44/00/384754400.db2.gz OZOZBQDMHFRDRQ-OAHLLOKOSA-N 2 0 248.370 1.874 20 0 BDADRP C[C@H]1C[NH2+]C[C@H](NCc2ccc(C[NH3+])cc2)C1 ZINC000647553162 384767329 /nfs/dbraw/zinc/76/73/29/384767329.db2.gz FSGSNZPUHZKORM-BXUZGUMPSA-N 2 0 233.359 1.233 20 0 BDADRP C[C@@H](NC1CC[NH+](C)CC1)[C@@H]1CCCC[NH2+]1 ZINC000335026803 384772240 /nfs/dbraw/zinc/77/22/40/384772240.db2.gz ALJPZWWIQNAQTD-YPMHNXCESA-N 2 0 225.380 1.201 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)C(C)C ZINC000361816285 384820415 /nfs/dbraw/zinc/82/04/15/384820415.db2.gz XKEAPAPPRGEQJS-IGQOVBAYSA-N 2 0 242.407 1.976 20 0 BDADRP C1=C(C[NH2+][C@H]2CC[C@@H]2C2CC2)CC[NH2+]C1 ZINC000423343518 384820450 /nfs/dbraw/zinc/82/04/50/384820450.db2.gz DNQDHYNCVKBMAV-OLZOCXBDSA-N 2 0 206.333 1.684 20 0 BDADRP CC[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])OC ZINC000308577083 384826707 /nfs/dbraw/zinc/82/67/07/384826707.db2.gz NFLYLGPVQCONKN-HBNTYKKESA-N 2 0 200.326 1.128 20 0 BDADRP C[C@H](C[NH3+])C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000054343701 384833109 /nfs/dbraw/zinc/83/31/09/384833109.db2.gz PTJJULDGNNUNKS-YPMHNXCESA-N 2 0 249.358 1.000 20 0 BDADRP C[C@@H](C[NH2+]C[C@@H]1CCSC1)C[NH+](C)C ZINC000308592422 384834965 /nfs/dbraw/zinc/83/49/65/384834965.db2.gz WGWJWZMIPPTZGD-QWRGUYRKSA-N 2 0 216.394 1.527 20 0 BDADRP CC[C@H](C[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C)OC ZINC000310012550 384783281 /nfs/dbraw/zinc/78/32/81/384783281.db2.gz JEUCCRJXAVOAAX-YNEHKIRRSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000423294003 384787841 /nfs/dbraw/zinc/78/78/41/384787841.db2.gz AXQWSNLWIGRMBR-NOZJJQNGSA-N 2 0 222.307 1.997 20 0 BDADRP CN1CCC([NH2+]CC2CC(F)(F)C2)CC1 ZINC000335600578 384794282 /nfs/dbraw/zinc/79/42/82/384794282.db2.gz XADFEKYOOKQELO-UHFFFAOYSA-N 2 0 218.291 1.716 20 0 BDADRP COC[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)C1CC1 ZINC000398082282 384796650 /nfs/dbraw/zinc/79/66/50/384796650.db2.gz HASZUNXUAZRUID-OLZOCXBDSA-N 2 0 226.364 1.533 20 0 BDADRP Cc1noc([C@H](C)N(C)CCc2cncn2C)n1 ZINC000518211178 384797943 /nfs/dbraw/zinc/79/79/43/384797943.db2.gz CQSAJDJBVYYZPC-VIFPVBQESA-N 2 0 249.318 1.347 20 0 BDADRP C[C@@H]1CCCC[C@@H]1C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000335625631 384798121 /nfs/dbraw/zinc/79/81/21/384798121.db2.gz KMXAVQSIGMXCBB-CHWSQXEVSA-N 2 0 240.391 1.598 20 0 BDADRP COC[C@@H]([NH2+]CCCC[NH+](C)C)C1CC1 ZINC000087479978 384798378 /nfs/dbraw/zinc/79/83/78/384798378.db2.gz GQGDWXZVVHQWTQ-GFCCVEGCSA-N 2 0 214.353 1.343 20 0 BDADRP Cc1nc(CN2C[C@H](C[NH3+])C[C@@H]2C)cs1 ZINC000126789103 384803738 /nfs/dbraw/zinc/80/37/38/384803738.db2.gz UQMIXDYUALXXMX-WPRPVWTQSA-N 2 0 225.361 1.621 20 0 BDADRP COC[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)C1CC1 ZINC000398109091 384809196 /nfs/dbraw/zinc/80/91/96/384809196.db2.gz NJXSJLGKHSGVKQ-OLZOCXBDSA-N 2 0 226.364 1.391 20 0 BDADRP COCC[C@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000308635902 384883332 /nfs/dbraw/zinc/88/33/32/384883332.db2.gz AWUSJGDIAQSSRQ-QWRGUYRKSA-N 2 0 202.342 1.519 20 0 BDADRP CC(C)c1ccc(C[NH2+]C[C@@H]2CNCCO2)cc1 ZINC000259009960 384956711 /nfs/dbraw/zinc/95/67/11/384956711.db2.gz XGZYGJINIIEOJT-HNNXBMFYSA-N 2 0 248.370 1.888 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@@H](C)CCC[NH3+] ZINC000308656293 384899628 /nfs/dbraw/zinc/89/96/28/384899628.db2.gz NRIRXSRYPFKROI-QWRGUYRKSA-N 2 0 202.342 1.255 20 0 BDADRP CC(C)[C@@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000251354767 384915728 /nfs/dbraw/zinc/91/57/28/384915728.db2.gz CGECBUXDRCIOCS-QWHCGFSZSA-N 2 0 210.365 1.964 20 0 BDADRP C[C@@H](C[NH2+][C@@H]1CCOC2(CCC2)C1)C[NH+](C)C ZINC000310268680 384933008 /nfs/dbraw/zinc/93/30/08/384933008.db2.gz SBXYUCHXDWQSPT-QWHCGFSZSA-N 2 0 240.391 1.875 20 0 BDADRP COc1ccc(OC)c(C[NH2+]C[C@H](C)C[NH3+])c1 ZINC000258771992 384944045 /nfs/dbraw/zinc/94/40/45/384944045.db2.gz OESOZBHPHUFYDN-SNVBAGLBSA-N 2 0 238.331 1.388 20 0 BDADRP CC[NH+]1CCC(CC[NH2+]C[C@@H](C)O)CC1 ZINC000644576608 384978096 /nfs/dbraw/zinc/97/80/96/384978096.db2.gz IFURHXWQHVNCLQ-LLVKDONJSA-N 2 0 214.353 1.079 20 0 BDADRP C[C@H](Cc1ccncc1)[NH2+]C1CCN(C)CC1 ZINC000360244656 384997063 /nfs/dbraw/zinc/99/70/63/384997063.db2.gz DVGWNLGLOVXFQN-GFCCVEGCSA-N 2 0 233.359 1.696 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000226397281 385006569 /nfs/dbraw/zinc/00/65/69/385006569.db2.gz DTOJTHXRXBZCFB-WCQYABFASA-N 2 0 243.395 1.350 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000226399643 385009188 /nfs/dbraw/zinc/00/91/88/385009188.db2.gz JFMWSKZWXFSPBK-GXFFZTMASA-N 2 0 241.379 1.103 20 0 BDADRP C[C@@H]1C[C@@H](C)N(Cc2ccns2)C[C@H]1C[NH3+] ZINC000404472525 385015676 /nfs/dbraw/zinc/01/56/76/385015676.db2.gz SIYWXXOEJHEMNF-GMTAPVOTSA-N 2 0 239.388 1.948 20 0 BDADRP CCSCC[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000130007710 385017749 /nfs/dbraw/zinc/01/77/49/385017749.db2.gz UYALTSQUKJDBFK-NSHDSACASA-N 2 0 216.394 1.943 20 0 BDADRP CN(C[C@@H]1CCC[NH2+]C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000226439538 385019802 /nfs/dbraw/zinc/01/98/02/385019802.db2.gz OVOSWJOJOOLFKC-TZMCWYRMSA-N 2 0 237.391 1.155 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)c1ccncc1 ZINC000404768035 385056003 /nfs/dbraw/zinc/05/60/03/385056003.db2.gz HVOCNDVDBXUMRI-ZMLRMANQSA-N 2 0 219.332 1.858 20 0 BDADRP CN(C)C1(C[NH2+][C@H]2CCSC2)CCCC1 ZINC000105838450 385057633 /nfs/dbraw/zinc/05/76/33/385057633.db2.gz AGMNDATYYICVQT-NSHDSACASA-N 2 0 228.405 1.956 20 0 BDADRP C[C@H](F)CC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000340458297 385064288 /nfs/dbraw/zinc/06/42/88/385064288.db2.gz FRTKVSBCXGONLH-HBNTYKKESA-N 2 0 202.317 1.807 20 0 BDADRP C[C@H](F)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000340458296 385065436 /nfs/dbraw/zinc/06/54/36/385065436.db2.gz FRTKVSBCXGONLH-GARJFASQSA-N 2 0 202.317 1.807 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CC1(N(C)C)CCCCC1 ZINC000310473596 385077808 /nfs/dbraw/zinc/07/78/08/385077808.db2.gz BGKRDPOBPOWCPF-CYBMUJFWSA-N 2 0 241.423 1.968 20 0 BDADRP CC[C@@H](O)C[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000644621119 385028297 /nfs/dbraw/zinc/02/82/97/385028297.db2.gz QXKCHCXGGLVLGB-QWHCGFSZSA-N 2 0 228.380 1.611 20 0 BDADRP CC[C@@H](O)C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000644665961 385083007 /nfs/dbraw/zinc/08/30/07/385083007.db2.gz YOPNKPKQNJXPAT-GFCCVEGCSA-N 2 0 214.353 1.221 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CO1 ZINC000647207130 385044596 /nfs/dbraw/zinc/04/45/96/385044596.db2.gz YONQOYXFZBSXFI-DGCLKSJQSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@](O)(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000310403645 385044835 /nfs/dbraw/zinc/04/48/35/385044835.db2.gz LFZDCBIZEWOIRL-MCIONIFRSA-N 2 0 238.375 1.364 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000449126711 385123577 /nfs/dbraw/zinc/12/35/77/385123577.db2.gz VNJQDZHJDGRKRC-IJLUTSLNSA-N 2 0 241.379 1.008 20 0 BDADRP Cc1ccc(O)c(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000163478795 385128320 /nfs/dbraw/zinc/12/83/20/385128320.db2.gz JSDQYWJUGFUARG-CMPLNLGQSA-N 2 0 249.358 1.512 20 0 BDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCOCC1CC1 ZINC000404846913 385099716 /nfs/dbraw/zinc/09/97/16/385099716.db2.gz DWZQSYUBBZXJSK-QWRGUYRKSA-N 2 0 212.337 1.128 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCOCC1CC1 ZINC000404846911 385100433 /nfs/dbraw/zinc/10/04/33/385100433.db2.gz DWZQSYUBBZXJSK-GHMZBOCLSA-N 2 0 212.337 1.128 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)CC2([NH3+])CCC2)cc1 ZINC000646974868 385103847 /nfs/dbraw/zinc/10/38/47/385103847.db2.gz HXASYFSFMYSXQQ-UHFFFAOYSA-N 2 0 233.315 1.355 20 0 BDADRP CC[NH2+]CCCN[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000518753916 385106259 /nfs/dbraw/zinc/10/62/59/385106259.db2.gz WUYHYCBTCWGOLK-STQMWFEESA-N 2 0 227.396 1.306 20 0 BDADRP COC1(CC[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)CCC1 ZINC000310539227 385106668 /nfs/dbraw/zinc/10/66/68/385106668.db2.gz BQQDKHNOUITWAW-CHWSQXEVSA-N 2 0 240.391 1.875 20 0 BDADRP CC[NH+](CC)C[C@@H](C)N[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422718761 385195317 /nfs/dbraw/zinc/19/53/17/385195317.db2.gz PZBHVMBBRYYIKK-HZSPNIEDSA-N 2 0 241.423 1.837 20 0 BDADRP C[C@@H](C[NH2+]Cc1cccn1C)C[NH+]1CCCC1 ZINC000062078068 385153616 /nfs/dbraw/zinc/15/36/16/385153616.db2.gz VJNZYFNWSDUYSU-ZDUSSCGKSA-N 2 0 235.375 1.847 20 0 BDADRP CC[NH+](CC)C[C@H](C)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422721285 385200604 /nfs/dbraw/zinc/20/06/04/385200604.db2.gz UWFVFXMXALGZNZ-ICIURTGMSA-N 2 0 239.407 1.589 20 0 BDADRP [NH3+]CC1(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)CC1 ZINC000647479754 385157876 /nfs/dbraw/zinc/15/78/76/385157876.db2.gz SPMVXSDKOGYGFA-OLZOCXBDSA-N 2 0 237.391 1.189 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)[C@@]1(C)CCCO1 ZINC000559767191 385165189 /nfs/dbraw/zinc/16/51/89/385165189.db2.gz QWXYEGPKTVCWID-MELADBBJSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1C[C@H]1C[NH2+]CCC1CC[NH+](C)CC1 ZINC000308848160 385210192 /nfs/dbraw/zinc/21/01/92/385210192.db2.gz NBHYKRILXJVPJC-YPMHNXCESA-N 2 0 210.365 1.964 20 0 BDADRP CCOCCC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000252715661 385224797 /nfs/dbraw/zinc/22/47/97/385224797.db2.gz WIKYGJONFZTGHZ-NEPJUHHUSA-N 2 0 214.353 1.343 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CCCCO1 ZINC000308869927 385225985 /nfs/dbraw/zinc/22/59/85/385225985.db2.gz RYNRIPLAKGFPST-RYUDHWBXSA-N 2 0 214.353 1.663 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CC[C@H]1CCCCO1 ZINC000308871902 385228814 /nfs/dbraw/zinc/22/88/14/385228814.db2.gz SOILTJPUGDLHAM-NWDGAFQWSA-N 2 0 214.353 1.663 20 0 BDADRP COCC[C@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000045038401 385234474 /nfs/dbraw/zinc/23/44/74/385234474.db2.gz VOZYVQKEKAJHGF-MNOVXSKESA-N 2 0 202.342 1.341 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)CCC(C)(C)[NH3+] ZINC000647648806 385250953 /nfs/dbraw/zinc/25/09/53/385250953.db2.gz HUTPWDJFODCUFA-WDEREUQCSA-N 2 0 241.379 1.232 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000036866961 385307087 /nfs/dbraw/zinc/30/70/87/385307087.db2.gz WGZDRVVRNSVCON-JTQLQIEISA-N 2 0 210.346 1.919 20 0 BDADRP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@@H]1CCCN1C ZINC000178650559 385312154 /nfs/dbraw/zinc/31/21/54/385312154.db2.gz PSRNUIWOKANYRK-PWSUYJOCSA-N 2 0 236.363 1.473 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)COC)[C@H](C)C1 ZINC000178669442 385316888 /nfs/dbraw/zinc/31/68/88/385316888.db2.gz UEJRSMKBGCPYOA-UPJWGTAASA-N 2 0 228.380 1.589 20 0 BDADRP Cc1ccnc(N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000272138174 385276202 /nfs/dbraw/zinc/27/62/02/385276202.db2.gz AVMDNBLJHJJGAT-QWHCGFSZSA-N 2 0 231.343 1.920 20 0 BDADRP CO[C@@H](C[NH2+]CCC1CC[NH+](C)CC1)C1CC1 ZINC000400136018 385296992 /nfs/dbraw/zinc/29/69/92/385296992.db2.gz DCNGYXSEUOXCGG-AWEZNQCLSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H](C[NH2+]C[C@@H](C)C[NH3+])c1ccccc1 ZINC000308991707 385336153 /nfs/dbraw/zinc/33/61/53/385336153.db2.gz OCZJKDAUXUDCDH-RYUDHWBXSA-N 2 0 206.333 1.975 20 0 BDADRP C[NH2+]Cc1ccccc1NC(=O)C[C@@H](C)[NH3+] ZINC000647654902 385343954 /nfs/dbraw/zinc/34/39/54/385343954.db2.gz ALMUUDCLBGTVKH-SECBINFHSA-N 2 0 221.304 1.082 20 0 BDADRP CC(C)[C@H](C(=O)NCC(C)(C)[NH+](C)C)[NH+](C)C ZINC000158159498 385358176 /nfs/dbraw/zinc/35/81/76/385358176.db2.gz UTLFXBCPCXYJRX-LLVKDONJSA-N 2 0 243.395 1.029 20 0 BDADRP Cc1cncc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000299932447 385326965 /nfs/dbraw/zinc/32/69/65/385326965.db2.gz YHTRSBVMKSCJRN-SOUVJXGZSA-N 2 0 245.370 1.949 20 0 BDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(C)(C)[NH3+] ZINC000168926650 385392659 /nfs/dbraw/zinc/39/26/59/385392659.db2.gz AHXFKWWMJVOWQP-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP CC[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000647498837 385422085 /nfs/dbraw/zinc/42/20/85/385422085.db2.gz RVFXADAVONOKLM-OLZOCXBDSA-N 2 0 225.380 1.045 20 0 BDADRP Fc1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000364441894 385444596 /nfs/dbraw/zinc/44/45/96/385444596.db2.gz GOQKCHLADPWMIB-OLZOCXBDSA-N 2 0 249.333 1.937 20 0 BDADRP CO[C@H](C)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000182080699 385428322 /nfs/dbraw/zinc/42/83/22/385428322.db2.gz KWMJUMFOFXJTKE-GFCCVEGCSA-N 2 0 228.380 1.685 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000183278244 385515458 /nfs/dbraw/zinc/51/54/58/385515458.db2.gz RJEBIOWCSMYDON-STQMWFEESA-N 2 0 228.380 1.875 20 0 BDADRP CC[NH+](CC)CCCN[C@H]1CC[NH2+]CC1(C)C ZINC000302338738 385515575 /nfs/dbraw/zinc/51/55/75/385515575.db2.gz OAGSILISLQGWTI-ZDUSSCGKSA-N 2 0 241.423 1.696 20 0 BDADRP CC[NH+](CC)CCCN[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000405329437 385490429 /nfs/dbraw/zinc/49/04/29/385490429.db2.gz WABAAUCOWMLPEE-VXGBXAGGSA-N 2 0 227.396 1.434 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000336728282 385520381 /nfs/dbraw/zinc/52/03/81/385520381.db2.gz WUAWFOSDSGDHFD-LBPRGKRZSA-N 3 0 241.423 1.966 20 0 BDADRP CCOCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000309429040 385578641 /nfs/dbraw/zinc/57/86/41/385578641.db2.gz FUFOIDBUOJGZKR-XQQFMLRXSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CCN1CCCCCC1 ZINC000309488950 385619173 /nfs/dbraw/zinc/61/91/73/385619173.db2.gz XTENHGPHNZZKLV-CYBMUJFWSA-N 2 0 227.396 1.579 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1[C@H](C)[C@@H](OC)C12CCC2 ZINC000414849238 385625960 /nfs/dbraw/zinc/62/59/60/385625960.db2.gz XUFOTTJCUFPJII-WUHRBBMRSA-N 2 0 240.391 1.635 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000082645557 385626957 /nfs/dbraw/zinc/62/69/57/385626957.db2.gz ZOSDDKYYVJHOQR-DGCLKSJQSA-N 2 0 219.332 1.641 20 0 BDADRP C(C[C@@H]1CCC[NH2+]C1)[NH2+][C@H]1CCCSC1 ZINC000414848000 385608389 /nfs/dbraw/zinc/60/83/89/385608389.db2.gz WNYRFBLCQDNFLO-RYUDHWBXSA-N 2 0 228.405 1.861 20 0 BDADRP CCN(CC[NH2+][C@@H]1CN(C)C[C@H]1C)C1CC1 ZINC000309493206 385613010 /nfs/dbraw/zinc/61/30/10/385613010.db2.gz XSHOKEULVPPQDY-DGCLKSJQSA-N 2 0 225.380 1.010 20 0 BDADRP CN(C[C@@H](O)C[N@H+](C)C1CCCC1)C1CC1 ZINC000336650016 385613582 /nfs/dbraw/zinc/61/35/82/385613582.db2.gz HGVPLHFBKFYMQG-ZDUSSCGKSA-N 2 0 226.364 1.316 20 0 BDADRP CCOC[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414848326 385613737 /nfs/dbraw/zinc/61/37/37/385613737.db2.gz GNRNRJKOQLVXAH-QJPTWQEYSA-N 2 0 214.353 1.389 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](O)CC(C)(C)C ZINC000336681983 385640590 /nfs/dbraw/zinc/64/05/90/385640590.db2.gz YIYHNGGKZSJSOL-VXGBXAGGSA-N 2 0 230.396 1.891 20 0 BDADRP Cc1cc(C)n(CCC[NH2+][C@H](C)CCC[NH3+])n1 ZINC000336685336 385687392 /nfs/dbraw/zinc/68/73/92/385687392.db2.gz FXNNCVMKYRBBOT-LLVKDONJSA-N 2 0 238.379 1.607 20 0 BDADRP CC[NH2+]CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000414854276 385691991 /nfs/dbraw/zinc/69/19/91/385691991.db2.gz ZBDGOGJFEBZEHQ-JHJVBQTASA-N 2 0 225.380 1.106 20 0 BDADRP COC[C@H](C)C[NH2+][C@H](C)CCCC[NH3+] ZINC000336687080 385702584 /nfs/dbraw/zinc/70/25/84/385702584.db2.gz MGUYWRPVPIIJIT-GHMZBOCLSA-N 2 0 202.342 1.376 20 0 BDADRP CCN1CC[C@H]([NH2+]Cc2ccccc2N(C)C)C1 ZINC000414540933 385704310 /nfs/dbraw/zinc/70/43/10/385704310.db2.gz HUFPFAQMZDTWDG-AWEZNQCLSA-N 2 0 247.386 1.936 20 0 BDADRP C[NH2+]CCC[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000414856486 385713653 /nfs/dbraw/zinc/71/36/53/385713653.db2.gz ALUHQBLHWUDWMW-NWDGAFQWSA-N 2 0 214.353 1.389 20 0 BDADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@H]1CCOC1 ZINC000309580872 385714089 /nfs/dbraw/zinc/71/40/89/385714089.db2.gz QIGUBWUTYQDRQN-AAEUAGOBSA-N 2 0 224.348 1.263 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)CN1CCCCC1 ZINC000336684510 385670830 /nfs/dbraw/zinc/67/08/30/385670830.db2.gz ZOECSSVFIQOQKJ-STQMWFEESA-N 2 0 227.396 1.578 20 0 BDADRP C[NH2+]CCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000414857980 385729017 /nfs/dbraw/zinc/72/90/17/385729017.db2.gz GYWLIVGJJIWCIX-JHJVBQTASA-N 2 0 225.380 1.106 20 0 BDADRP C[NH2+]CCC[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000414857987 385729146 /nfs/dbraw/zinc/72/91/46/385729146.db2.gz HABCSXZTJPWZCZ-UHFFFAOYSA-N 2 0 244.342 1.571 20 0 BDADRP Cc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)ncn1 ZINC000647793776 385729877 /nfs/dbraw/zinc/72/98/77/385729877.db2.gz HXRKPLKLJQOFMJ-YNEHKIRRSA-N 2 0 246.358 1.263 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000414857780 385732477 /nfs/dbraw/zinc/73/24/77/385732477.db2.gz FZGOFKUAFOYIBO-NSHDSACASA-N 2 0 224.323 1.956 20 0 BDADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]CC1CC1 ZINC000185877248 385742552 /nfs/dbraw/zinc/74/25/52/385742552.db2.gz ZAICXRKUFMHTHD-LBPRGKRZSA-N 2 0 225.380 1.012 20 0 BDADRP C/C=C/C[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647795706 385745738 /nfs/dbraw/zinc/74/57/38/385745738.db2.gz UGQDCFJGDIWZRB-ZNSKJLNFSA-N 2 0 238.375 1.291 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H](C)Cc1ccccc1F ZINC000414863193 385753645 /nfs/dbraw/zinc/75/36/45/385753645.db2.gz XBFJBOXRMABFAF-NSHDSACASA-N 2 0 224.323 1.956 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H](C)N(C)C1CC1 ZINC000336698835 385753724 /nfs/dbraw/zinc/75/37/24/385753724.db2.gz ORYSESUMIAPJPL-GHMZBOCLSA-N 2 0 213.369 1.186 20 0 BDADRP C[NH2+]CCC[NH2+][C@H]1CCc2c(cccc2OC)C1 ZINC000414863563 385759557 /nfs/dbraw/zinc/75/95/57/385759557.db2.gz XLHHQPXIJUTLIM-ZDUSSCGKSA-N 2 0 248.370 1.752 20 0 BDADRP CCC[NH2+]CC[NH2+]C[C@@H]1CCO[C@H](CC)C1 ZINC000414865479 385769127 /nfs/dbraw/zinc/76/91/27/385769127.db2.gz FPLIRUOBICVXJD-CHWSQXEVSA-N 2 0 228.380 1.781 20 0 BDADRP CCCC[C@H](COC)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414945404 385800455 /nfs/dbraw/zinc/80/04/55/385800455.db2.gz RLOWHUKRHRQPFP-JHJVBQTASA-N 2 0 228.380 1.779 20 0 BDADRP C[C@H](C[C@@H]1COCCN1)[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC000647799281 385800734 /nfs/dbraw/zinc/80/07/34/385800734.db2.gz CKJISDVKMGANFF-FDYHWXHSSA-N 2 0 244.354 1.624 20 0 BDADRP C[C@H](CC1CCOCC1)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414946686 385809367 /nfs/dbraw/zinc/80/93/67/385809367.db2.gz JTHCPTBZMNYKIP-BZPMIXESSA-N 2 0 240.391 1.922 20 0 BDADRP CC(C)CC[C@H](O)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000521426618 385814317 /nfs/dbraw/zinc/81/43/17/385814317.db2.gz JOMMKFXASQDQEJ-IHRRRGAJSA-N 2 0 242.407 1.856 20 0 BDADRP C[C@@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414951277 385822764 /nfs/dbraw/zinc/82/27/64/385822764.db2.gz PMXBMYWCOZKXDG-MROQNXINSA-N 2 0 225.380 1.247 20 0 BDADRP CCCC[C@@H](C)[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000414952468 385826758 /nfs/dbraw/zinc/82/67/58/385826758.db2.gz IHUZNYAWAJBUNT-OLZOCXBDSA-N 2 0 228.380 1.923 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]Cc1cn(C)nc1C(C)(C)C ZINC000414871910 385857858 /nfs/dbraw/zinc/85/78/58/385857858.db2.gz DSCXZTGXFKWCGZ-SNVBAGLBSA-N 2 0 238.379 1.402 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414954513 385829691 /nfs/dbraw/zinc/82/96/91/385829691.db2.gz SQMYNBHJRWLREK-GRYCIOLGSA-N 2 0 213.369 1.090 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)CCO1 ZINC000414954460 385836494 /nfs/dbraw/zinc/83/64/94/385836494.db2.gz SOCSITFHXMAWHB-RFQIPJPRSA-N 2 0 240.391 1.922 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000414955139 385840319 /nfs/dbraw/zinc/84/03/19/385840319.db2.gz LJXUULZEUZOODI-AGIUHOORSA-N 2 0 228.380 1.778 20 0 BDADRP C[C@@H]1C[C@@H](NCC[NH2+]C(C)(C)C)CC[NH2+]1 ZINC000414956265 385841028 /nfs/dbraw/zinc/84/10/28/385841028.db2.gz VCRHZTYZZZYRDO-MNOVXSKESA-N 2 0 213.369 1.105 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CO1 ZINC000647804191 385841489 /nfs/dbraw/zinc/84/14/89/385841489.db2.gz LEFYQNFLCGFIBB-GDGRRUBZSA-N 2 0 210.321 1.036 20 0 BDADRP C[C@@H](Cn1ccnc1)Nc1ncnc2[nH]ccc21 ZINC000271670437 385844310 /nfs/dbraw/zinc/84/43/10/385844310.db2.gz WYXMKCRJPOCMRE-VIFPVBQESA-N 2 0 242.286 1.655 20 0 BDADRP Cc1c(C[N@H+](C)CCCn2ccnc2)cnn1C ZINC000271745889 385848638 /nfs/dbraw/zinc/84/86/38/385848638.db2.gz XNYHLHVOJDOZOP-UHFFFAOYSA-N 2 0 247.346 1.447 20 0 BDADRP C[C@@H]1C[C@H]([N@H+](C)CCC[C@@H]2CCO2)CCN1C ZINC000638115489 385850897 /nfs/dbraw/zinc/85/08/97/385850897.db2.gz DDWKGGWHPBKKEQ-MGPQQGTHSA-N 2 0 240.391 1.970 20 0 BDADRP CCC1([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647798345 385794045 /nfs/dbraw/zinc/79/40/45/385794045.db2.gz PXYFQKYESHRAIG-QJPTWQEYSA-N 2 0 208.349 1.907 20 0 BDADRP CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647799198 385797169 /nfs/dbraw/zinc/79/71/69/385797169.db2.gz AORPPJALBMNDNE-ITGHMWBKSA-N 2 0 238.375 1.532 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+]C[C@@H]1CCO[C@H](CC)C1 ZINC000414962915 385890186 /nfs/dbraw/zinc/89/01/86/385890186.db2.gz SXXKKZDUAZQFNG-JHJVBQTASA-N 2 0 228.380 1.779 20 0 BDADRP C[C@@H]1C[N@H+](CCCC2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000647844878 385895288 /nfs/dbraw/zinc/89/52/88/385895288.db2.gz YOWRHUNDKFGXFH-TZMCWYRMSA-N 3 0 239.407 1.435 20 0 BDADRP CC[NH2+][C@H](C)CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000414962853 385896272 /nfs/dbraw/zinc/89/62/72/385896272.db2.gz SNMBDFCOBWSXHE-YIYPIFLZSA-N 2 0 239.407 1.495 20 0 BDADRP Cc1cc(N)cc(C[NH2+]CC2(C[NH3+])CC2)c1 ZINC000414964205 385902056 /nfs/dbraw/zinc/90/20/56/385902056.db2.gz LZITVDQAYVSKES-UHFFFAOYSA-N 2 0 219.332 1.406 20 0 BDADRP CCC[NH2+]CCN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000414876487 385908469 /nfs/dbraw/zinc/90/84/69/385908469.db2.gz VYAZZNAACDFKEH-KGLIPLIRSA-N 2 0 241.423 1.886 20 0 BDADRP CCC[NH2+]CCN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000414876486 385908563 /nfs/dbraw/zinc/90/85/63/385908563.db2.gz VYAZZNAACDFKEH-KBPBESRZSA-N 2 0 241.423 1.886 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]C/C=C\c1ccccc1 ZINC000414876268 385908838 /nfs/dbraw/zinc/90/88/38/385908838.db2.gz LCAZATUMTDCWLC-VVEJJEBESA-N 2 0 204.317 1.884 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414964712 385909796 /nfs/dbraw/zinc/90/97/96/385909796.db2.gz MRZAFJYGDSKQNT-MCIONIFRSA-N 3 0 239.407 1.639 20 0 BDADRP C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000294927463 385919859 /nfs/dbraw/zinc/91/98/59/385919859.db2.gz DBNUWWNZPIUXIU-NXEZZACHSA-N 2 0 247.342 1.254 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@H]3CCC[NH2+]C3)C[C@@H]21 ZINC000342098412 385926865 /nfs/dbraw/zinc/92/68/65/385926865.db2.gz IHDKJKQWHYEEPL-RFQIPJPRSA-N 3 0 237.391 1.045 20 0 BDADRP COc1cccc(C[NH2+]C[C@H](C)C[NH3+])c1OC ZINC000414872827 385866699 /nfs/dbraw/zinc/86/66/99/385866699.db2.gz GGMXCROVDFCKNT-SNVBAGLBSA-N 2 0 238.331 1.388 20 0 BDADRP C[NH+](C)CCCNC(=O)c1ccc2c[nH+]cn2c1 ZINC000284531357 385876260 /nfs/dbraw/zinc/87/62/60/385876260.db2.gz ZZMZRMSTVCUHIQ-UHFFFAOYSA-N 2 0 246.314 1.016 20 0 BDADRP CCC(C)(C)CC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835650 385879490 /nfs/dbraw/zinc/87/94/90/385879490.db2.gz HBENEYCDYWUTKE-UHFFFAOYSA-N 2 0 241.423 1.650 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](CCCc2ccncc2)C1 ZINC000647830269 385880718 /nfs/dbraw/zinc/88/07/18/385880718.db2.gz FHXHGTSXWNMGJJ-ZDUSSCGKSA-N 2 0 219.332 1.295 20 0 BDADRP CC[C@H](COC)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414972009 385977642 /nfs/dbraw/zinc/97/76/42/385977642.db2.gz XEXCSDQTXSVTKE-NEPJUHHUSA-N 2 0 214.353 1.533 20 0 BDADRP Cc1cccc(C[NH2+]C[C@@H]2CNCCN2C)c1C ZINC000414972305 385985866 /nfs/dbraw/zinc/98/58/66/385985866.db2.gz XNOZGIOKSVFGNP-HNNXBMFYSA-N 2 0 247.386 1.297 20 0 BDADRP C(C[NH2+]CC[C@@H]1CCOC1)C[C@H]1CCC[NH2+]1 ZINC000414973385 385991634 /nfs/dbraw/zinc/99/16/34/385991634.db2.gz ZLMXZDJOJKYVOE-OLZOCXBDSA-N 2 0 226.364 1.535 20 0 BDADRP Cc1nc2ccccn2c1C[NH2+][C@H](C)CC[NH3+] ZINC000414878326 385936651 /nfs/dbraw/zinc/93/66/51/385936651.db2.gz HCMPFZYXFKNKAE-SNVBAGLBSA-N 2 0 232.331 1.470 20 0 BDADRP C[C@@H]([NH2+]CCCC[NH+](C)C)[C@@]1(C)CCCO1 ZINC000336746580 385939095 /nfs/dbraw/zinc/93/90/95/385939095.db2.gz RMMPWLNXWBMJKR-CHWSQXEVSA-N 2 0 228.380 1.875 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C(=O)N(C)C2CC([NH3+])C2)cc1 ZINC000335048094 385944227 /nfs/dbraw/zinc/94/42/27/385944227.db2.gz AZVBOIWXUNBBEZ-UHEGKEBESA-N 2 0 247.342 1.268 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CC1(O)CCC1 ZINC000335051544 385948500 /nfs/dbraw/zinc/94/85/00/385948500.db2.gz QUTOIPRQYQWTPR-QWRGUYRKSA-N 2 0 212.337 1.151 20 0 BDADRP CC1([NH3+])CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000647924265 385950184 /nfs/dbraw/zinc/95/01/84/385950184.db2.gz SSNLHRXRJZPAKK-NSHDSACASA-N 2 0 212.337 1.369 20 0 BDADRP Cc1cccc(C)c1C[NH2+]C[C@@H](C)C[NH3+] ZINC000414879855 385951354 /nfs/dbraw/zinc/95/13/54/385951354.db2.gz PZIWNXVVRIISAH-JTQLQIEISA-N 2 0 206.333 1.988 20 0 BDADRP C([NH2+][C@@H]1CCCC12CCCC2)[C@H]1CNCCO1 ZINC000335052529 385952463 /nfs/dbraw/zinc/95/24/63/385952463.db2.gz SLPHDOKOTGWKDY-CHWSQXEVSA-N 2 0 238.375 1.677 20 0 BDADRP C[N@H+](CCOCC(F)F)CC(C)(C)C[NH3+] ZINC000336746609 385955994 /nfs/dbraw/zinc/95/59/94/385955994.db2.gz RNTZVJIPGSRUGA-UHFFFAOYSA-N 2 0 224.295 1.185 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[NH2+][C@@H](C)C2)cc1 ZINC000335058708 385959024 /nfs/dbraw/zinc/95/90/24/385959024.db2.gz JBJFOKMSOPVMBR-WDEREUQCSA-N 2 0 247.342 1.140 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@H]1NCC1([NH3+])CCCCCC1 ZINC000335058782 385960151 /nfs/dbraw/zinc/96/01/51/385960151.db2.gz KGITZXKPMRLODA-CHWSQXEVSA-N 2 0 239.407 1.578 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]1CCO ZINC000338313274 385963037 /nfs/dbraw/zinc/96/30/37/385963037.db2.gz DMRJVSDBEUKOBS-CYBMUJFWSA-N 2 0 228.380 1.565 20 0 BDADRP C1C[C@H](N2CCC[C@]3(CCSC3)C2)C[NH2+]1 ZINC000335012525 385968591 /nfs/dbraw/zinc/96/85/91/385968591.db2.gz ZHJUPVAJKNCJMB-RYUDHWBXSA-N 2 0 226.389 1.567 20 0 BDADRP CO[C@H](C)CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000336750800 386004751 /nfs/dbraw/zinc/00/47/51/386004751.db2.gz ZVMNIFBXRFQKPQ-WUHRBBMRSA-N 2 0 228.380 1.730 20 0 BDADRP CC(C)[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000295294496 386007912 /nfs/dbraw/zinc/00/79/12/386007912.db2.gz XFOWJFLVPCEIEN-CYBMUJFWSA-N 2 0 247.342 1.254 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000393903060 386025135 /nfs/dbraw/zinc/02/51/35/386025135.db2.gz ITHHUOWOUMUFOI-NZFPMDFQSA-N 2 0 232.318 1.958 20 0 BDADRP C[C@H](C[NH3+])CN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000414884080 386042838 /nfs/dbraw/zinc/04/28/38/386042838.db2.gz VLYHTYPGATWAOW-VHDGCEQUSA-N 2 0 247.386 1.664 20 0 BDADRP C[C@H](C[NH3+])CN[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000414884083 386044197 /nfs/dbraw/zinc/04/41/97/386044197.db2.gz VLYHTYPGATWAOW-YUELXQCFSA-N 2 0 247.386 1.664 20 0 BDADRP Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000129055147 386045921 /nfs/dbraw/zinc/04/59/21/386045921.db2.gz HZRJNHJWUYWZDB-YPMHNXCESA-N 2 0 248.374 1.529 20 0 BDADRP COC(=O)c1ccc(C[NH2+]C[C@@H](C)C[NH3+])cc1 ZINC000414884791 386049545 /nfs/dbraw/zinc/04/95/45/386049545.db2.gz WGXVRYVOCNDXCX-JTQLQIEISA-N 2 0 236.315 1.158 20 0 BDADRP CC(=O)Nc1ccc(C[NH2+][C@@H](C)CC[NH3+])cc1 ZINC000414888373 386103543 /nfs/dbraw/zinc/10/35/43/386103543.db2.gz RHQIODNKHODBNS-JTQLQIEISA-N 2 0 235.331 1.472 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414666727 386112535 /nfs/dbraw/zinc/11/25/35/386112535.db2.gz XFCZHWSMNZFQTK-FDYHWXHSSA-N 3 0 225.380 1.044 20 0 BDADRP C[NH2+][C@@H]1CCCN(C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414665597 386113832 /nfs/dbraw/zinc/11/38/32/386113832.db2.gz FCGIJGCIIJJKFN-RWMBFGLXSA-N 2 0 225.380 1.058 20 0 BDADRP CC(C)c1ncc(C[NH2+]C[C@H](C)C[NH3+])s1 ZINC000414885717 386058756 /nfs/dbraw/zinc/05/87/56/386058756.db2.gz XHCYXDWYOZGEAK-SECBINFHSA-N 2 0 227.377 1.951 20 0 BDADRP Cc1cncc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000335027366 386067887 /nfs/dbraw/zinc/06/78/87/386067887.db2.gz SQUDUHSSQSJVNE-GXTWGEPZSA-N 2 0 233.359 1.868 20 0 BDADRP CC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])C(C)(C)O ZINC000394006425 386074664 /nfs/dbraw/zinc/07/46/64/386074664.db2.gz XXUARPCGIRYORF-WDEREUQCSA-N 2 0 216.369 1.643 20 0 BDADRP CSC[C@@H](O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365404929 386080703 /nfs/dbraw/zinc/08/07/03/386080703.db2.gz RLQJCHUSQOKUTO-NEPJUHHUSA-N 2 0 246.420 1.126 20 0 BDADRP CO[C@@H](C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1)C1CC1 ZINC000425449766 386083172 /nfs/dbraw/zinc/08/31/72/386083172.db2.gz TZWMMFVCSJFROB-KBPBESRZSA-N 2 0 238.375 1.439 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000414657119 386084636 /nfs/dbraw/zinc/08/46/36/386084636.db2.gz JPVLXJWPYCKRIE-AGIUHOORSA-N 2 0 227.396 1.419 20 0 BDADRP C[C@@H]1C[C@@H](CN(C2CC2)[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000414659973 386090842 /nfs/dbraw/zinc/09/08/42/386090842.db2.gz NTGRTBWMIPLMKE-DYEKYZERSA-N 2 0 237.391 1.201 20 0 BDADRP COC(=O)[C@@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414673868 386146396 /nfs/dbraw/zinc/14/63/96/386146396.db2.gz CZLBAFWGFWMELO-UTUOFQBUSA-N 2 0 240.347 1.012 20 0 BDADRP CC(C)C[C@H]([NH3+])CN(CC[NH3+])Cc1ccccc1 ZINC000414673600 386146582 /nfs/dbraw/zinc/14/65/82/386146582.db2.gz RBZJLZJCSCFWRE-HNNXBMFYSA-N 2 0 249.402 1.821 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H](CO)C2)CC[NH2+]1 ZINC000414677508 386157674 /nfs/dbraw/zinc/15/76/74/386157674.db2.gz WOFVIKMVOFRFBK-FRRDWIJNSA-N 2 0 226.364 1.079 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[N@H+](CCO)C1CCCC1 ZINC000414679477 386162651 /nfs/dbraw/zinc/16/26/51/386162651.db2.gz ZXBJJZQEEKYIOR-GFCCVEGCSA-N 2 0 228.380 1.597 20 0 BDADRP [NH3+]CCC[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000414681413 386164227 /nfs/dbraw/zinc/16/42/27/386164227.db2.gz PBSABVBTCBFYMH-UHFFFAOYSA-N 2 0 234.343 1.920 20 0 BDADRP C[C@H](CC[NH3+])[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000414894253 386170339 /nfs/dbraw/zinc/17/03/39/386170339.db2.gz ZGIZKAMPALLTLM-LLVKDONJSA-N 2 0 244.342 1.904 20 0 BDADRP Cc1cc(C[NH2+]CCC2CC[NH+](C)CC2)on1 ZINC000310136056 386135844 /nfs/dbraw/zinc/13/58/44/386135844.db2.gz IZTRUTPHSJDBDO-UHFFFAOYSA-N 2 0 237.347 1.805 20 0 BDADRP CC(C)CCC[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000365504183 386136569 /nfs/dbraw/zinc/13/65/69/386136569.db2.gz BVQONXGOFPHXTB-BETUJISGSA-N 2 0 210.365 1.916 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CCN2CC[NH2+]CC2)C[C@H]1C ZINC000414891750 386142186 /nfs/dbraw/zinc/14/21/86/386142186.db2.gz WXZKBPIPCGECTA-MCIONIFRSA-N 2 0 239.407 1.306 20 0 BDADRP C([C@@H]1CC[NH2+]C1)[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000647875050 386142912 /nfs/dbraw/zinc/14/29/12/386142912.db2.gz SYJCKDKEMWDFNJ-NEPJUHHUSA-N 2 0 224.348 1.097 20 0 BDADRP C[C@H](CC[NH3+])N[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000414896361 386201295 /nfs/dbraw/zinc/20/12/95/386201295.db2.gz OTFCADZBZYRUQI-VHDGCEQUSA-N 2 0 247.386 1.807 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000414700240 386203705 /nfs/dbraw/zinc/20/37/05/386203705.db2.gz FXFBNDIYLHSFOG-OLZOCXBDSA-N 2 0 226.364 1.472 20 0 BDADRP CC(C)CCOC1CC[NH+](CCC[NH3+])CC1 ZINC000414701730 386205676 /nfs/dbraw/zinc/20/56/76/386205676.db2.gz KRAWKSXVZMVHGF-UHFFFAOYSA-N 2 0 228.380 1.862 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C[C@@H](C)O1 ZINC000414699421 386205820 /nfs/dbraw/zinc/20/58/20/386205820.db2.gz YOGDCOJRSNNUPN-REWJHTLYSA-N 2 0 240.391 1.874 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000414700308 386205856 /nfs/dbraw/zinc/20/58/56/386205856.db2.gz JMGKEJKKPCCIIB-UONOGXRCSA-N 2 0 241.423 1.633 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+](C)C[C@H]2CCC[C@H]2O)CC[NH2+]1 ZINC000414700519 386208369 /nfs/dbraw/zinc/20/83/69/386208369.db2.gz GAZSBLPMBGISMW-AAVRWANBSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@]1(C[NH2+]Cc2ccncc2)CCC[NH2+]C1 ZINC000414897060 386208975 /nfs/dbraw/zinc/20/89/75/386208975.db2.gz DASNTQQISMARAK-ZDUSSCGKSA-N 2 0 219.332 1.561 20 0 BDADRP CC[N@H+](C)C[C@H]1CCN(CC[NH2+]C(C)(C)C)C1 ZINC000414703295 386210141 /nfs/dbraw/zinc/21/01/41/386210141.db2.gz JMJPXDRIDAUQEM-CYBMUJFWSA-N 2 0 241.423 1.648 20 0 BDADRP CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1CCC[NH3+] ZINC000414707396 386217543 /nfs/dbraw/zinc/21/75/43/386217543.db2.gz NVNFPOUJYWWHCI-OLZOCXBDSA-N 2 0 241.379 1.057 20 0 BDADRP CCC[N@H+](CCC[NH3+])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000414706022 386220012 /nfs/dbraw/zinc/22/00/12/386220012.db2.gz OFTDSZWOFVUFQU-UPJWGTAASA-N 2 0 240.391 1.861 20 0 BDADRP CC[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H](C[NH3+])C2)CCO1 ZINC000347114102 386231775 /nfs/dbraw/zinc/23/17/75/386231775.db2.gz SDCDJROLUDYZCO-RWMBFGLXSA-N 2 0 226.364 1.472 20 0 BDADRP CCc1cc(OC)ccc1C[NH2+]C[C@H]1CC[NH2+]C1 ZINC000414898796 386234436 /nfs/dbraw/zinc/23/44/36/386234436.db2.gz BYYFJHAQCKLMJT-LBPRGKRZSA-N 2 0 248.370 1.957 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCCCN1C[C@@H]1CCC[NH2+]C1 ZINC000347116841 386234554 /nfs/dbraw/zinc/23/45/54/386234554.db2.gz WMGJWOFIUOHSFC-YNEHKIRRSA-N 2 0 225.380 1.188 20 0 BDADRP CC(C)(C)[NH2+]CC[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415002366 386242927 /nfs/dbraw/zinc/24/29/27/386242927.db2.gz MDJXCVSCSXJZLK-VXGBXAGGSA-N 3 0 227.396 1.482 20 0 BDADRP [NH3+]CCCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000414899376 386244216 /nfs/dbraw/zinc/24/42/16/386244216.db2.gz FVISEFJDOWXAOS-IJLUTSLNSA-N 2 0 224.348 1.273 20 0 BDADRP C[NH+](C)CCC[N@H+](C)C[C@H]1CCCOC1 ZINC000336645494 386250963 /nfs/dbraw/zinc/25/09/63/386250963.db2.gz IAWGZVGJSXBQGU-GFCCVEGCSA-N 2 0 214.353 1.297 20 0 BDADRP CC[N@H+](CC[C@@H]1CCC[NH+]1C)[C@H]1CCOC1 ZINC000336647229 386256991 /nfs/dbraw/zinc/25/69/91/386256991.db2.gz FKFUREGGPURJRD-STQMWFEESA-N 2 0 226.364 1.582 20 0 BDADRP Cc1cncc(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000310513784 386195984 /nfs/dbraw/zinc/19/59/84/386195984.db2.gz UYASSWBAODAKFC-KBPBESRZSA-N 2 0 231.343 1.574 20 0 BDADRP CC(C)(C)[NH2+]CCN1CCC[C@@H](CC[NH3+])C1 ZINC000414729782 386280321 /nfs/dbraw/zinc/28/03/21/386280321.db2.gz FJUUKRBBPFFGAO-LBPRGKRZSA-N 2 0 227.396 1.435 20 0 BDADRP C[C@H](O)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000336662285 386283124 /nfs/dbraw/zinc/28/31/24/386283124.db2.gz JBBYBZVPGOBKGE-WCQYABFASA-N 2 0 226.364 1.031 20 0 BDADRP CC(C)C[C@H]([NH3+])CNC[C@]1(C)CCC[NH2+]C1 ZINC000414900864 386289601 /nfs/dbraw/zinc/28/96/01/386289601.db2.gz FIUPLEHMORATGV-QWHCGFSZSA-N 2 0 227.396 1.339 20 0 BDADRP c1cc([C@@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]C2)ccn1 ZINC000647987989 386294174 /nfs/dbraw/zinc/29/41/74/386294174.db2.gz BRAQWEUERNQMIT-OCCSQVGLSA-N 2 0 231.343 1.828 20 0 BDADRP CC[NH+](CC)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000336661213 386300905 /nfs/dbraw/zinc/30/09/05/386300905.db2.gz GFESKSILVHYAMW-GFCCVEGCSA-N 2 0 228.380 1.421 20 0 BDADRP c1cc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)ccn1 ZINC000415006206 386315171 /nfs/dbraw/zinc/31/51/71/386315171.db2.gz KEGVMZQSBUSTHQ-UONOGXRCSA-N 2 0 231.343 1.559 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)CC[NH2+]1 ZINC000414738454 386319849 /nfs/dbraw/zinc/31/98/49/386319849.db2.gz JJBZKTGXQMDYHH-UMSGYPCISA-N 2 0 226.364 1.077 20 0 BDADRP Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)n1 ZINC000091996156 386319973 /nfs/dbraw/zinc/31/99/73/386319973.db2.gz UOXRDKKKQCSWLW-LBPRGKRZSA-N 2 0 249.358 1.656 20 0 BDADRP C[C@H]1C[C@@H](C[N@H+](C)CC2(CO)CC2)CC[NH2+]1 ZINC000414739221 386320893 /nfs/dbraw/zinc/32/08/93/386320893.db2.gz KDBUXVZEQOJIQB-RYUDHWBXSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H](c1cccc(O)c1)[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000647884686 386264758 /nfs/dbraw/zinc/26/47/58/386264758.db2.gz WXLFYJPEBSIYHQ-RYUDHWBXSA-N 2 0 234.343 1.995 20 0 BDADRP C([C@@H]1CC[NH2+]C1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000647987594 386274493 /nfs/dbraw/zinc/27/44/93/386274493.db2.gz HBEXEKYPAURHGV-RDBSUJKOSA-N 2 0 237.391 1.202 20 0 BDADRP C[NH+](C)C[C@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC000336656784 386274814 /nfs/dbraw/zinc/27/48/14/386274814.db2.gz MCHLRJKPUAPSIR-CQSZACIVSA-N 2 0 240.391 1.687 20 0 BDADRP C([C@@H]1CC[NH2+]C1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000647987699 386278361 /nfs/dbraw/zinc/27/83/61/386278361.db2.gz RVMXJXQHFGEHHU-OCCSQVGLSA-N 3 0 237.391 1.060 20 0 BDADRP OCC[N@H+](CCc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000647885653 386279552 /nfs/dbraw/zinc/27/95/52/386279552.db2.gz BFATYGFNZQECGS-HNNXBMFYSA-N 2 0 248.370 1.133 20 0 BDADRP CC[C@H]1c2ccccc2CC[N@H+]1CCOCC[NH3+] ZINC000647885701 386279599 /nfs/dbraw/zinc/27/95/99/386279599.db2.gz HCFXSQNIZADIEQ-HNNXBMFYSA-N 2 0 248.370 1.971 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@](C)(O)C2CC2)[C@H](C)C1 ZINC000347308499 386350495 /nfs/dbraw/zinc/35/04/95/386350495.db2.gz BSBCAHQIWSUVSJ-XBFCOCLRSA-N 2 0 240.391 1.467 20 0 BDADRP CC(C)(C)[NH2+]CCN1CC[C@@H]([C@H]2CCOC2)C1 ZINC000414745665 386351144 /nfs/dbraw/zinc/35/11/44/386351144.db2.gz PUUUFCVNMDVRKM-OLZOCXBDSA-N 2 0 240.391 1.733 20 0 BDADRP C[N@H+](CCCCO)Cc1cccc2nccn21 ZINC000276618071 386354362 /nfs/dbraw/zinc/35/43/62/386354362.db2.gz HPYVHOMSVOJHSB-UHFFFAOYSA-N 2 0 233.315 1.539 20 0 BDADRP Cc1noc(C)c1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000092329364 386365316 /nfs/dbraw/zinc/36/53/16/386365316.db2.gz WBWRRLZIIKRHGT-WCQYABFASA-N 2 0 237.347 1.899 20 0 BDADRP CC(C)[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)CCO1 ZINC000414906076 386371794 /nfs/dbraw/zinc/37/17/94/386371794.db2.gz ORGVJECSXZIUGP-RDBSUJKOSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H]1CC2(C[N@@H+]1Cc1ccon1)CC[NH2+]CC2 ZINC000335276625 386339397 /nfs/dbraw/zinc/33/93/97/386339397.db2.gz GTLVKVLICLLIHS-NSHDSACASA-N 2 0 235.331 1.639 20 0 BDADRP C[C@]1(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CCCS1 ZINC000327525473 386437712 /nfs/dbraw/zinc/43/77/12/386437712.db2.gz TYBHJMRVQKNIDG-SDDRHHMPSA-N 2 0 226.389 1.423 20 0 BDADRP c1coc([C@@H](CN[C@H]2CC[NH2+]C2)[NH+]2CCCC2)c1 ZINC000094074811 386444449 /nfs/dbraw/zinc/44/44/49/386444449.db2.gz XAGDAYHERYNIIG-QWHCGFSZSA-N 2 0 249.358 1.368 20 0 BDADRP Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647990746 386394252 /nfs/dbraw/zinc/39/42/52/386394252.db2.gz BTECKEBVLRDDJU-OLZOCXBDSA-N 2 0 248.374 1.773 20 0 BDADRP Cc1cc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])ccn1 ZINC000391121447 386410687 /nfs/dbraw/zinc/41/06/87/386410687.db2.gz JKWXQCRMWQFJPG-STQMWFEESA-N 2 0 219.332 1.607 20 0 BDADRP [NH3+]CCCC[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000414909339 386411627 /nfs/dbraw/zinc/41/16/27/386411627.db2.gz QZYONBMUZNFXTA-UHFFFAOYSA-N 2 0 248.370 1.883 20 0 BDADRP C[NH+](C)CC1CC[NH+](CC2CCOCC2)CC1 ZINC000336709062 386418504 /nfs/dbraw/zinc/41/85/04/386418504.db2.gz PQMNAFOSQPWMLV-UHFFFAOYSA-N 2 0 240.391 1.687 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)CC[NH2+]1 ZINC000414761941 386421249 /nfs/dbraw/zinc/42/12/49/386421249.db2.gz VCJJASVTVYFENC-IKOXMDCHSA-N 2 0 240.391 1.872 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000414763894 386430652 /nfs/dbraw/zinc/43/06/52/386430652.db2.gz YFDMNYPEOYENBS-MELADBBJSA-N 2 0 239.407 1.386 20 0 BDADRP CC(C)(C)[NH2+]CCN1CC[C@]2(CC[NH2+]C2)C1 ZINC000414766040 386432904 /nfs/dbraw/zinc/43/29/04/386432904.db2.gz QODPQTBVIXDIBY-ZDUSSCGKSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)[C@@H](C)C1 ZINC000415042493 386528513 /nfs/dbraw/zinc/52/85/13/386528513.db2.gz QORNCTGESNTGEX-RQJABVFESA-N 2 0 240.391 1.779 20 0 BDADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCC[C@H](C)O)C1 ZINC000336732592 386471580 /nfs/dbraw/zinc/47/15/80/386471580.db2.gz ZTIQETXGFGDPML-UONOGXRCSA-N 2 0 242.407 1.811 20 0 BDADRP C1[C@@H]([NH2+][C@H]2CCCSC2)[C@@H]1C1CC[NH2+]CC1 ZINC000415010630 386472488 /nfs/dbraw/zinc/47/24/88/386472488.db2.gz PNZUSMQIKNXPGG-RWMBFGLXSA-N 2 0 240.416 1.860 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]CC2(O)CCCC2)C1 ZINC000519536172 386481266 /nfs/dbraw/zinc/48/12/66/386481266.db2.gz JBWQCSNDUIPBKT-QWHCGFSZSA-N 2 0 240.391 1.754 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CC[NH2+]C(C)(C)C ZINC000415011697 386489837 /nfs/dbraw/zinc/48/98/37/386489837.db2.gz HXBKAUDKOSPGKQ-NSHDSACASA-N 3 0 215.385 1.482 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@H]2CC23CC3)CC1 ZINC000417357661 386492530 /nfs/dbraw/zinc/49/25/30/386492530.db2.gz GTYQEERTALDDKN-LLVKDONJSA-N 2 0 208.349 1.860 20 0 BDADRP CCOC[C@H](C)[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415014129 386497592 /nfs/dbraw/zinc/49/75/92/386497592.db2.gz ZHQLWVRXYMSYSR-TUAOUCFPSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@H](CC1CCOCC1)[NH2+][C@@H](C)CCC[NH3+] ZINC000415016298 386499841 /nfs/dbraw/zinc/49/98/41/386499841.db2.gz CHHXNZGHZRNCSN-NWDGAFQWSA-N 2 0 228.380 1.909 20 0 BDADRP CC[C@H]1C[N@H+](CCOCC2CC2)CC[C@H]1[NH3+] ZINC000647936510 386529620 /nfs/dbraw/zinc/52/96/20/386529620.db2.gz GLQXTHZYILOPCX-QWHCGFSZSA-N 2 0 226.364 1.472 20 0 BDADRP C[C@H]([NH3+])[C@H](C)NCc1ccn(-c2ccccc2)n1 ZINC000415017345 386502050 /nfs/dbraw/zinc/50/20/50/386502050.db2.gz PTPDETHFYODDON-RYUDHWBXSA-N 2 0 244.342 1.698 20 0 BDADRP CCCc1csc(CN[C@@H](C)[C@H](C)[NH3+])n1 ZINC000415016742 386502068 /nfs/dbraw/zinc/50/20/68/386502068.db2.gz OQLJPMLDOMZIAZ-IUCAKERBSA-N 2 0 227.377 1.921 20 0 BDADRP COc1cc(CN[C@@H](C)[C@@H](C)[NH3+])ccc1C ZINC000415017697 386502413 /nfs/dbraw/zinc/50/24/13/386502413.db2.gz QKDDVASKIGNERX-MNOVXSKESA-N 2 0 222.332 1.829 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C1CCC(C[NH3+])CC1 ZINC000415016884 386503353 /nfs/dbraw/zinc/50/33/53/386503353.db2.gz QMBYYEPWNPCOIE-PNESKVBLSA-N 3 0 227.396 1.611 20 0 BDADRP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@](C)(O)C[NH2+]C ZINC000519609564 386504801 /nfs/dbraw/zinc/50/48/01/386504801.db2.gz WSQMMJLPVIXTRI-GRYCIOLGSA-N 2 0 214.353 1.125 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)C2([NH3+])CCC2)cc1 ZINC000335444157 386505787 /nfs/dbraw/zinc/50/57/87/386505787.db2.gz KJPKDDDXFZRITD-VIFPVBQESA-N 2 0 233.315 1.526 20 0 BDADRP CC[N@H+](C)C[C@H]1CCN(c2cc(C)nc(C)n2)C1 ZINC000267181014 386505855 /nfs/dbraw/zinc/50/58/55/386505855.db2.gz BPAFIBRPYVJMOG-CYBMUJFWSA-N 2 0 248.374 1.871 20 0 BDADRP CCC1CCC([NH2+]C[C@H]2C[NH2+]CCCO2)CC1 ZINC000415051000 386508393 /nfs/dbraw/zinc/50/83/93/386508393.db2.gz ZCABRBQCWKIMGO-JXQTWKCFSA-N 2 0 240.391 1.923 20 0 BDADRP Cn1cncc1C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415020424 386508438 /nfs/dbraw/zinc/50/84/38/386508438.db2.gz GETNXLZMBGMPHV-HAQNSBGRSA-N 2 0 236.363 1.275 20 0 BDADRP [NH3+]CCC[C@H]([NH2+]C1CC[NH2+]CC1)c1ccccc1 ZINC000415052337 386509001 /nfs/dbraw/zinc/50/90/01/386509001.db2.gz KRIKBWJHURBZLD-HNNXBMFYSA-N 3 0 247.386 1.808 20 0 BDADRP CCCC[C@H](COC)[NH2+][C@H](C)[C@@H](C)[NH3+] ZINC000415019637 386509465 /nfs/dbraw/zinc/50/94/65/386509465.db2.gz SDLYDACYYRATEA-GMTAPVOTSA-N 2 0 202.342 1.517 20 0 BDADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]C[C@H]2CCC[NH2+]C2)CC1 ZINC000415022309 386512167 /nfs/dbraw/zinc/51/21/67/386512167.db2.gz IZMUHNDYTXVJOF-IHRRRGAJSA-N 3 0 239.407 1.341 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCCC[NH3+] ZINC000519641835 386514120 /nfs/dbraw/zinc/51/41/20/386514120.db2.gz HQXGBIGXFALMPK-GFCCVEGCSA-N 2 0 241.379 1.106 20 0 BDADRP COc1c(O)cccc1C[NH2+][C@@H](C)CCC[NH3+] ZINC000415025885 386514648 /nfs/dbraw/zinc/51/46/48/386514648.db2.gz RYIQMKGGEFOVAZ-JTQLQIEISA-N 2 0 238.331 1.618 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000415027109 386516943 /nfs/dbraw/zinc/51/69/43/386516943.db2.gz WBSHMJKTEXKXRJ-KXNHARMFSA-N 2 0 226.364 1.517 20 0 BDADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CCO ZINC000336780077 386522430 /nfs/dbraw/zinc/52/24/30/386522430.db2.gz QIUADXXNXZEOLU-QWHCGFSZSA-N 2 0 228.380 1.469 20 0 BDADRP C[C@@H]1CCC[C@@H](C[NH2+]C[C@H]2C[NH2+]CCCO2)C1 ZINC000415036436 386523730 /nfs/dbraw/zinc/52/37/30/386523730.db2.gz JVRYZQGCTSUVOO-MGPQQGTHSA-N 2 0 240.391 1.781 20 0 BDADRP CC[C@H]1C[N@H+](CCCOC(C)C)CC[C@H]1[NH3+] ZINC000647936458 386525262 /nfs/dbraw/zinc/52/52/62/386525262.db2.gz FJBMZKJLKOXXFW-QWHCGFSZSA-N 2 0 228.380 1.861 20 0 BDADRP C([C@H]1CC[NH2+]C1)N1CC[NH2+]CC12CCCCC2 ZINC000647895352 386461989 /nfs/dbraw/zinc/46/19/89/386461989.db2.gz SUXLGOHJJBXAQS-ZDUSSCGKSA-N 2 0 237.391 1.204 20 0 BDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NC1CC[NH2+]CC1 ZINC000414774519 386464135 /nfs/dbraw/zinc/46/41/35/386464135.db2.gz BLKDGGIFSKDGSQ-TZMCWYRMSA-N 2 0 239.407 1.639 20 0 BDADRP C[C@H](N)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977595 386578790 /nfs/dbraw/zinc/57/87/90/386578790.db2.gz DXFXCNBRHWBVCH-XQQFMLRXSA-N 2 0 225.380 1.045 20 0 BDADRP [NH3+]C1CCC([NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)CC1 ZINC000415083103 386594237 /nfs/dbraw/zinc/59/42/37/386594237.db2.gz FFRMJKMSVHKQJD-PNKMZZHYSA-N 2 0 238.375 1.804 20 0 BDADRP COC1CCC([NH2+]C[C@H]([NH3+])C(C)C)CC1 ZINC000414788307 386532578 /nfs/dbraw/zinc/53/25/78/386532578.db2.gz DHFWRRZAFFBVMY-MCIGGMRASA-N 2 0 214.353 1.517 20 0 BDADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2CCCSC2)C1 ZINC000415045984 386532574 /nfs/dbraw/zinc/53/25/74/386532574.db2.gz UTMUJQMSGOZNFA-VWYCJHECSA-N 2 0 214.378 1.599 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@H]1CC[NH2+]C1(C)C ZINC000415044623 386532750 /nfs/dbraw/zinc/53/27/50/386532750.db2.gz SMJLTUAJAXJSRD-QWRGUYRKSA-N 2 0 213.369 1.090 20 0 BDADRP CC(C)C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415053245 386534408 /nfs/dbraw/zinc/53/44/08/386534408.db2.gz MDLMHMOACMKWCG-UHFFFAOYSA-N 2 0 239.407 1.448 20 0 BDADRP FC(F)(F)[C@H]1CCC[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000415053337 386534456 /nfs/dbraw/zinc/53/44/56/386534456.db2.gz DQBRZGWVIKRXSI-LADJIXMOSA-N 2 0 248.292 1.915 20 0 BDADRP C[N@H+](CC1CC[NH+](C)CC1)C[C@@]1(C)CC[NH2+]C1 ZINC000063125163 386537143 /nfs/dbraw/zinc/53/71/43/386537143.db2.gz ADQXGNAIRKOYFD-AWEZNQCLSA-N 3 0 239.407 1.260 20 0 BDADRP C[C@@H]1CC2(C[N@@H+]1C[C@@H]1CC[NH2+]C1)CC[NH2+]CC2 ZINC000647995362 386537359 /nfs/dbraw/zinc/53/73/59/386537359.db2.gz RPIGZJNYKRHUMH-CHWSQXEVSA-N 3 0 237.391 1.060 20 0 BDADRP CC(C)(C)[C@H](C[NH3+])NCc1cnc(N)s1 ZINC000415056505 386537785 /nfs/dbraw/zinc/53/77/85/386537785.db2.gz QUDONIIXWNQNLH-QMMMGPOBSA-N 2 0 228.365 1.019 20 0 BDADRP CCN(CC)[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000062980223 386540687 /nfs/dbraw/zinc/54/06/87/386540687.db2.gz QGRHWNJMMLEXEE-AWEZNQCLSA-N 2 0 239.407 1.402 20 0 BDADRP CC(=O)CC[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000267453849 386544698 /nfs/dbraw/zinc/54/46/98/386544698.db2.gz SGOBUYUQPTWUKF-NSHDSACASA-N 2 0 221.304 1.568 20 0 BDADRP C[C@@H](CC1CCCCC1)C[N@H+](C)C[C@H](O)C[NH3+] ZINC000415064444 386545940 /nfs/dbraw/zinc/54/59/40/386545940.db2.gz CNXNYCCVZWHIKI-GXTWGEPZSA-N 2 0 242.407 1.844 20 0 BDADRP C[N@H+](C[C@@H](O)C[NH3+])C[C@@H]1C[C@H]1c1ccccc1 ZINC000415065389 386548380 /nfs/dbraw/zinc/54/83/80/386548380.db2.gz GBVHPRNXOATLCO-IHRRRGAJSA-N 2 0 234.343 1.042 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CNC1CC[NH2+]CC1 ZINC000415073371 386560029 /nfs/dbraw/zinc/56/00/29/386560029.db2.gz AZKMKFMVMMGREZ-CYBMUJFWSA-N 2 0 225.380 1.202 20 0 BDADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000414793106 386564491 /nfs/dbraw/zinc/56/44/91/386564491.db2.gz JUENMMQTRWRMQH-LPWJVIDDSA-N 2 0 238.375 1.517 20 0 BDADRP CC(C)[C@H](C(=O)NCCCC[NH+](C)C)[C@H](C)[NH3+] ZINC000399449208 386565910 /nfs/dbraw/zinc/56/59/10/386565910.db2.gz ODNPOCSKNVYHNE-RYUDHWBXSA-N 2 0 243.395 1.064 20 0 BDADRP Cn1cncc1C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000267645044 386566145 /nfs/dbraw/zinc/56/61/45/386566145.db2.gz WOWDRMQGCJWSJB-NSHDSACASA-N 2 0 245.330 1.523 20 0 BDADRP C[C@@H](CC1CCOCC1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415074403 386566356 /nfs/dbraw/zinc/56/63/56/386566356.db2.gz PIWRXWLEOMGGAO-JSGCOSHPSA-N 2 0 240.391 1.923 20 0 BDADRP CCN1CCCC[C@H]1C[NH2+]C1CCC([NH3+])CC1 ZINC000415075425 386569818 /nfs/dbraw/zinc/56/98/18/386569818.db2.gz FHLGAPHGWSNRJU-RUXDESIVSA-N 2 0 239.407 1.720 20 0 BDADRP CO[C@@H](C)CC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000336758011 386624136 /nfs/dbraw/zinc/62/41/36/386624136.db2.gz IANVSLXMZQHEJH-LBPRGKRZSA-N 2 0 228.380 1.874 20 0 BDADRP C([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C1CC[NH2+]CC1 ZINC000415102230 386624919 /nfs/dbraw/zinc/62/49/19/386624919.db2.gz ASHSANICDWMRAY-FRRDWIJNSA-N 2 0 208.349 1.764 20 0 BDADRP COc1cccc2c1CC[C@@H]([NH2+]CC(C)(C)[NH3+])C2 ZINC000414811719 386628287 /nfs/dbraw/zinc/62/82/87/386628287.db2.gz ZWBNPENHQOUNLI-GFCCVEGCSA-N 2 0 248.370 1.879 20 0 BDADRP C[C@@H](C[C@H]1CCC[NH2+]1)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000415136230 386631388 /nfs/dbraw/zinc/63/13/88/386631388.db2.gz CLBDUKNCVVPAEB-UMSGYPCISA-N 2 0 225.380 1.247 20 0 BDADRP C[NH2+]CCCN(C)Cc1cnc2cccc(C)n12 ZINC000415133235 386640186 /nfs/dbraw/zinc/64/01/86/386640186.db2.gz MTMYXVSRBHASPI-UHFFFAOYSA-N 2 0 246.358 1.684 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415133652 386640714 /nfs/dbraw/zinc/64/07/14/386640714.db2.gz VJKZKSDNOFIHRZ-AGIUHOORSA-N 2 0 227.396 1.277 20 0 BDADRP CCC([NH3+])(CC)C[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414812846 386643695 /nfs/dbraw/zinc/64/36/95/386643695.db2.gz SBQHZULQSALDKB-RYUDHWBXSA-N 3 0 227.396 1.482 20 0 BDADRP COc1ccc(CC[NH2+]C[C@@]2(C)CC[NH2+]C2)cc1 ZINC000415086358 386599193 /nfs/dbraw/zinc/59/91/93/386599193.db2.gz UKXKNEJAVFMVGW-OAHLLOKOSA-N 2 0 248.370 1.827 20 0 BDADRP CO[C@@H](C)CC[NH2+][C@@H](C)CCCC[NH3+] ZINC000336644960 386602066 /nfs/dbraw/zinc/60/20/66/386602066.db2.gz BCXKEYVUBZQSTP-QWRGUYRKSA-N 2 0 202.342 1.519 20 0 BDADRP CC1(C)CCC[C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C1 ZINC000335487472 386603696 /nfs/dbraw/zinc/60/36/96/386603696.db2.gz LQNDQKZSGDDPMG-QWHCGFSZSA-N 2 0 240.391 1.923 20 0 BDADRP COc1cc(CN[C@@H](C[NH3+])C2CC2)ccc1C ZINC000414802138 386603986 /nfs/dbraw/zinc/60/39/86/386603986.db2.gz HWSBKDPCOOZUMP-ZDUSSCGKSA-N 2 0 234.343 1.831 20 0 BDADRP CCC(CC)(CCO)C[NH2+]CC(C)(C)[NH3+] ZINC000415086024 386605605 /nfs/dbraw/zinc/60/56/05/386605605.db2.gz RNNVMTNQLGWHMD-UHFFFAOYSA-N 2 0 216.369 1.502 20 0 BDADRP OCCC1(C[NH2+]CC2CC[NH2+]CC2)CCCC1 ZINC000415086692 386605850 /nfs/dbraw/zinc/60/58/50/386605850.db2.gz SMBKMJPWIXLAQM-UHFFFAOYSA-N 2 0 240.391 1.518 20 0 BDADRP C([NH2+][C@@H]1CCC12CCCC2)[C@@H]1C[NH2+]CCCO1 ZINC000335488143 386605839 /nfs/dbraw/zinc/60/58/39/386605839.db2.gz NDZJFUXYKGSFSG-QWHCGFSZSA-N 2 0 238.375 1.677 20 0 BDADRP CC[C@H]1CN(C[C@]2(C)CC[NH2+]C2)CCO1 ZINC000062911204 386654984 /nfs/dbraw/zinc/65/49/84/386654984.db2.gz ZSPAEPDHKSMAEU-NWDGAFQWSA-N 2 0 212.337 1.097 20 0 BDADRP CC[N@@H+]1CC[C@H](NC[C@H]([NH3+])C(C)C)[C@H](C)C1 ZINC000414804903 386607766 /nfs/dbraw/zinc/60/77/66/386607766.db2.gz YGAZWSSIANGMNQ-AGIUHOORSA-N 3 0 227.396 1.290 20 0 BDADRP Cc1cn[nH]c1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414807852 386611493 /nfs/dbraw/zinc/61/14/93/386611493.db2.gz RPNJBTPMTTYTEF-GHMZBOCLSA-N 2 0 222.336 1.325 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H]2CCO)CC[NH2+]1 ZINC000415090395 386611727 /nfs/dbraw/zinc/61/17/27/386611727.db2.gz ALLGJYWPISGBGF-JHJVBQTASA-N 2 0 226.364 1.221 20 0 BDADRP CC[N@H+](CCN[C@@H]1C[NH+](C)C[C@H]1C)C(C)C ZINC000336759473 386664438 /nfs/dbraw/zinc/66/44/38/386664438.db2.gz JBEGMFRCCPDCFF-CHWSQXEVSA-N 2 0 227.396 1.256 20 0 BDADRP C[NH2+]CCN[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000414820669 386664901 /nfs/dbraw/zinc/66/49/01/386664901.db2.gz CNMJEXLKZCGXDO-ZFWWWQNUSA-N 2 0 247.386 1.631 20 0 BDADRP C[C@H]([NH3+])C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000165113080 386681328 /nfs/dbraw/zinc/68/13/28/386681328.db2.gz UIDBOKOTWWIKAX-NEPJUHHUSA-N 2 0 241.379 1.104 20 0 BDADRP C[NH2+]CCNC1CC[NH+](C(C)(C)C)CC1 ZINC000414823863 386681401 /nfs/dbraw/zinc/68/14/01/386681401.db2.gz JADUPKMSHFEXGY-UHFFFAOYSA-N 2 0 213.369 1.058 20 0 BDADRP C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1CCOCC[NH3+] ZINC000357069955 386710890 /nfs/dbraw/zinc/71/08/90/386710890.db2.gz IDUIBVMIEAKXKU-DZGCQCFKSA-N 2 0 248.370 1.840 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000414830841 386711235 /nfs/dbraw/zinc/71/12/35/386711235.db2.gz CMMQJBZXWRIVJE-NNYUYHANSA-N 2 0 226.364 1.245 20 0 BDADRP CC[C@@H]1C[C@@H](C[NH2+]CC[C@H]2CC[NH2+]C2)CCO1 ZINC000414826606 386686876 /nfs/dbraw/zinc/68/68/76/386686876.db2.gz FUGPCZSGIRZGBZ-HZSPNIEDSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@]1(CNC[C@H]([NH3+])c2ccccc2)CC[NH2+]C1 ZINC000414825771 386691175 /nfs/dbraw/zinc/69/11/75/386691175.db2.gz DBSGONJSFWGFBE-KBPBESRZSA-N 2 0 233.359 1.276 20 0 BDADRP COC[C@@H](CC(C)C)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414827752 386695521 /nfs/dbraw/zinc/69/55/21/386695521.db2.gz HRLWLIHSRPJKQG-CHWSQXEVSA-N 2 0 228.380 1.637 20 0 BDADRP Cc1ccc([C@@H](C)[N@H+](C)CCOCC[NH3+])cc1 ZINC000357034103 386697969 /nfs/dbraw/zinc/69/79/69/386697969.db2.gz VJGPTIZRCMBWOW-CYBMUJFWSA-N 2 0 236.359 1.963 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+]Cc1cccnc1C ZINC000414829054 386700993 /nfs/dbraw/zinc/70/09/93/386700993.db2.gz AHZAYTPXNVUQKG-JTQLQIEISA-N 2 0 207.321 1.335 20 0 BDADRP [NH3+]CC1(CNC[C@H]([NH3+])c2ccccc2)CC1 ZINC000414828954 386703127 /nfs/dbraw/zinc/70/31/27/386703127.db2.gz KAJYGCRPYKQAMG-LBPRGKRZSA-N 2 0 219.332 1.015 20 0 BDADRP CCn1nccc1CN[C@@H](C[NH3+])CC(C)C ZINC000414830487 386705262 /nfs/dbraw/zinc/70/52/62/386705262.db2.gz BBYRAWCVSQNXOO-LLVKDONJSA-N 2 0 224.352 1.366 20 0 BDADRP CCn1nccc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000414928005 386706630 /nfs/dbraw/zinc/70/66/30/386706630.db2.gz PTJAOTONVNMBIA-QWRGUYRKSA-N 2 0 222.336 1.263 20 0 BDADRP CCn1nccc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000414928007 386706821 /nfs/dbraw/zinc/70/68/21/386706821.db2.gz PTJAOTONVNMBIA-WDEREUQCSA-N 2 0 222.336 1.263 20 0 BDADRP NC[C@H]([NH2+]C1CCC([NH3+])CC1)C1CCCCC1 ZINC000414830229 386707761 /nfs/dbraw/zinc/70/77/61/386707761.db2.gz ATUGTQYEJTVZDH-RUXDESIVSA-N 3 0 239.407 1.754 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000414832241 386717621 /nfs/dbraw/zinc/71/76/21/386717621.db2.gz FEMNKDLDPNNREA-RVMXOQNASA-N 2 0 238.375 1.389 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@H](COC)CC(C)C ZINC000414832194 386718613 /nfs/dbraw/zinc/71/86/13/386718613.db2.gz FBGKZDQGGLUPEO-RYUDHWBXSA-N 2 0 216.369 1.493 20 0 BDADRP C[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC000247483502 386719534 /nfs/dbraw/zinc/71/95/34/386719534.db2.gz SWHRMLJCYZXOFU-UKRRQHHQSA-N 2 0 248.370 1.604 20 0 BDADRP C[C@H]1CC[C@H]([NH2+]CCCN(C)CC[NH+](C)C)C1 ZINC000623088022 386724226 /nfs/dbraw/zinc/72/42/26/386724226.db2.gz SRWVRRTYSCMECQ-KBPBESRZSA-N 2 0 241.423 1.648 20 0 BDADRP NC[C@H]([NH2+]C1CCOCC1)C1CCCCC1 ZINC000414841544 386754769 /nfs/dbraw/zinc/75/47/69/386754769.db2.gz NJSAADXXBMHUPC-ZDUSSCGKSA-N 2 0 226.364 1.663 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+]CC2([NH3+])CCCCC2)CC[NH2+]1 ZINC000414842835 386755126 /nfs/dbraw/zinc/75/51/26/386755126.db2.gz NAHIAURLQRZSLU-OLZOCXBDSA-N 3 0 239.407 1.626 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCN(C2CC2)C1 ZINC000336665398 386769042 /nfs/dbraw/zinc/76/90/42/386769042.db2.gz PNFYAXDPODCSGB-NEPJUHHUSA-N 2 0 225.380 1.330 20 0 BDADRP C(C[C@H]1CCOC1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414839249 386742018 /nfs/dbraw/zinc/74/20/18/386742018.db2.gz MBZVJUFUSRAOLL-OLZOCXBDSA-N 2 0 226.364 1.392 20 0 BDADRP Cc1c([C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])cnn1C ZINC000336668219 386789774 /nfs/dbraw/zinc/78/97/74/386789774.db2.gz AFJXOYIJEBNUET-WDEREUQCSA-N 2 0 238.379 1.897 20 0 BDADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)C[C@H](C)[NH3+] ZINC000417832317 386794498 /nfs/dbraw/zinc/79/44/98/386794498.db2.gz LFHDPVSXMCGGFO-GXFFZTMASA-N 2 0 249.358 1.102 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000414844448 386771276 /nfs/dbraw/zinc/77/12/76/386771276.db2.gz RJZSDCMHHRVKKB-IUODEOHRSA-N 2 0 232.371 1.989 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCOC[C@@H]2C)C1 ZINC000192482547 386774213 /nfs/dbraw/zinc/77/42/13/386774213.db2.gz RULXVBHCVZSNAI-YNEHKIRRSA-N 2 0 226.364 1.343 20 0 BDADRP CC(C)[C@](C)(C[NH3+])[NH2+]CCOCC(F)F ZINC000336666302 386777137 /nfs/dbraw/zinc/77/71/37/386777137.db2.gz LUGWBZIPSVJSNT-JTQLQIEISA-N 2 0 224.295 1.231 20 0 BDADRP COC[C@@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000336761325 386781801 /nfs/dbraw/zinc/78/18/01/386781801.db2.gz MSDJJIZWIFEOQB-VOMCLLRMSA-N 2 0 214.353 1.484 20 0 BDADRP CNC(=O)CCC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000398452084 386823753 /nfs/dbraw/zinc/82/37/53/386823753.db2.gz OIGPFFVLKUGHES-OLZOCXBDSA-N 2 0 247.342 1.247 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC3CCOCC3)C[C@@H]21 ZINC000125356384 386800970 /nfs/dbraw/zinc/80/09/70/386800970.db2.gz YCCNZERKOYRNLI-MELADBBJSA-N 2 0 238.375 1.472 20 0 BDADRP C[C@H](CCC[NH3+])NC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000417850170 386807597 /nfs/dbraw/zinc/80/75/97/386807597.db2.gz MCOVLWXBZOOLMG-GHMZBOCLSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@H](CCC[NH3+])NC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000417850171 386809177 /nfs/dbraw/zinc/80/91/77/386809177.db2.gz MCOVLWXBZOOLMG-MNOVXSKESA-N 2 0 241.379 1.008 20 0 BDADRP C1C[NH2+][C@H]([C@@H]2CCC[C@@H]2N[C@@H]2CCC[NH2+]C2)C1 ZINC000414935604 386812769 /nfs/dbraw/zinc/81/27/69/386812769.db2.gz YTDYZJWSLIKSCR-RFGFWPKPSA-N 2 0 237.391 1.249 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CCOC1(C)C)C[NH+]1CCCC1 ZINC000328275049 386841474 /nfs/dbraw/zinc/84/14/74/386841474.db2.gz XMTGTWIUZOZKDS-CHWSQXEVSA-N 2 0 240.391 1.875 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000331394017 386847674 /nfs/dbraw/zinc/84/76/74/386847674.db2.gz BLYZUHUSNWTYES-ZDEQEGDKSA-N 2 0 226.364 1.397 20 0 BDADRP COC1CCC([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000334845292 386892639 /nfs/dbraw/zinc/89/26/39/386892639.db2.gz FDHXNJDUHJFVQS-QCXCNERSSA-N 2 0 226.364 1.804 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CO)C2)c2ccccc21 ZINC000331497075 386863162 /nfs/dbraw/zinc/86/31/62/386863162.db2.gz BLZFEJDXASVBLT-FDRIWYBQSA-N 2 0 246.354 1.882 20 0 BDADRP Cc1cnc(CN[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)n1C ZINC000341291113 386864382 /nfs/dbraw/zinc/86/43/82/386864382.db2.gz RJIDSNQERQMFBH-PWSUYJOCSA-N 2 0 248.374 1.443 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1CC[NH2+]CC1 ZINC000334833017 386870622 /nfs/dbraw/zinc/87/06/22/386870622.db2.gz LHQCANYCHBPRSZ-VTXSZYRJSA-N 3 0 237.391 1.092 20 0 BDADRP [NH3+]CC1CCC(N[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000334833299 386872543 /nfs/dbraw/zinc/87/25/43/386872543.db2.gz OOPCFSPCAPJLSY-VQXHTEKXSA-N 2 0 247.333 1.091 20 0 BDADRP C[C@H]1OCC[C@H]1[NH2+]CC1([NH3+])CCCCCC1 ZINC000334835863 386877001 /nfs/dbraw/zinc/87/70/01/386877001.db2.gz BIMKXCBROKKOOR-VXGBXAGGSA-N 2 0 226.364 1.805 20 0 BDADRP Cc1nc(C)c(C)c(N(C)CC[N@H+](C)C2CC2)n1 ZINC000302235011 386916368 /nfs/dbraw/zinc/91/63/68/386916368.db2.gz DXEPTUHDOOSOJN-UHFFFAOYSA-N 2 0 248.374 1.932 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)c1cc[nH]c(=O)c1 ZINC000340443083 386900484 /nfs/dbraw/zinc/90/04/84/386900484.db2.gz CQQAJEOZQBEDKU-NTZNESFSSA-N 2 0 249.358 1.921 20 0 BDADRP Cc1cccn2c(CN[C@@H]3CCC[NH2+]C3)cnc12 ZINC000334850829 386900851 /nfs/dbraw/zinc/90/08/51/386900851.db2.gz VRWFMPBIYORNGH-GFCCVEGCSA-N 2 0 244.342 1.484 20 0 BDADRP Cc1ccc(O)c(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000162187342 386946976 /nfs/dbraw/zinc/94/69/76/386946976.db2.gz CUHYHOOCBKVKES-GHMZBOCLSA-N 2 0 235.331 1.265 20 0 BDADRP [NH3+]C[C@H]1CC[C@H]([NH2+]C2Cc3ccccc3C2)C1 ZINC000334865489 386921257 /nfs/dbraw/zinc/92/12/57/386921257.db2.gz USGDMLYXOCWNER-FZMZJTMJSA-N 2 0 230.355 1.871 20 0 BDADRP Nc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH2+]CC1 ZINC000334866053 386921369 /nfs/dbraw/zinc/92/13/69/386921369.db2.gz VVIIWMXTXSSXFW-HNNXBMFYSA-N 2 0 245.370 1.988 20 0 BDADRP C[C@H]1OCC[C@H]1[NH2+]CC1([NH3+])CCCCC1 ZINC000334819870 386947392 /nfs/dbraw/zinc/94/73/92/386947392.db2.gz WBDMEWYOGMTBIK-GHMZBOCLSA-N 2 0 212.337 1.415 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCc2cccnc2)C1 ZINC000161708740 386927421 /nfs/dbraw/zinc/92/74/21/386927421.db2.gz JVPXDOPBNYMPKD-DGCLKSJQSA-N 2 0 219.332 1.293 20 0 BDADRP C[C@H](O)CC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000331935956 386928032 /nfs/dbraw/zinc/92/80/32/386928032.db2.gz HXRIJSDAIOFMOD-DCAQKATOSA-N 2 0 200.326 1.007 20 0 BDADRP Cc1ccncc1CN[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000334869033 386929339 /nfs/dbraw/zinc/92/93/39/386929339.db2.gz ODIJOLLPMSLPNA-WCQYABFASA-N 2 0 219.332 1.620 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000331961688 386932720 /nfs/dbraw/zinc/93/27/20/386932720.db2.gz IMCSJODSFKIVSO-PUPMMZHASA-N 2 0 245.370 1.861 20 0 BDADRP C[C@@]1(CN[C@H]2CCC[NH2+]CC2)CCC[NH2+]C1 ZINC000334873138 386935458 /nfs/dbraw/zinc/93/54/58/386935458.db2.gz HIOFYIXMNPSIGO-QWHCGFSZSA-N 2 0 225.380 1.108 20 0 BDADRP Cc1n[nH]c(C)c1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000334820053 386947911 /nfs/dbraw/zinc/94/79/11/386947911.db2.gz LCTKJRZYXZANSY-JOYOIKCWSA-N 2 0 236.363 1.443 20 0 BDADRP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000398703977 386959364 /nfs/dbraw/zinc/95/93/64/386959364.db2.gz XSRJZZRGTQWPGN-WUHRBBMRSA-N 2 0 228.380 1.501 20 0 BDADRP CS[C@@H]1CC[C@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000425353846 386963001 /nfs/dbraw/zinc/96/30/01/386963001.db2.gz NJYSVHUZTDGBFC-VXGBXAGGSA-N 2 0 226.389 1.732 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@H]1CCCC[C@H]1O ZINC000332342361 386971683 /nfs/dbraw/zinc/97/16/83/386971683.db2.gz PZYKIPCOHVDZGY-YIYPIFLZSA-N 2 0 240.391 1.787 20 0 BDADRP COCCC1(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000395197381 386983411 /nfs/dbraw/zinc/98/34/11/386983411.db2.gz KUHFPUKEEMPXSZ-CHWSQXEVSA-N 2 0 240.391 1.923 20 0 BDADRP CC[C@@H](NCC1([NH3+])CCC1)[C@H]1CCCC[NH2+]1 ZINC000332487465 386983560 /nfs/dbraw/zinc/98/35/60/386983560.db2.gz RUIAOROZUNEGHS-VXGBXAGGSA-N 2 0 225.380 1.378 20 0 BDADRP CCC(O)(CC)C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000332058913 386952256 /nfs/dbraw/zinc/95/22/56/386952256.db2.gz YBEHPSONIZJKOL-RYUDHWBXSA-N 2 0 228.380 1.787 20 0 BDADRP Cc1noc(C)c1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000110644262 387066457 /nfs/dbraw/zinc/06/64/57/387066457.db2.gz HOCDQCKICOIWGC-SECBINFHSA-N 2 0 237.347 1.851 20 0 BDADRP Fc1ccc(CC[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000107787931 387037198 /nfs/dbraw/zinc/03/71/98/387037198.db2.gz HKPHHEHOZQGZHA-CYBMUJFWSA-N 2 0 236.334 1.957 20 0 BDADRP Cc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)no1 ZINC000334978886 387066690 /nfs/dbraw/zinc/06/66/90/387066690.db2.gz CTWLPCFIZHRRMG-QWHCGFSZSA-N 2 0 249.358 1.805 20 0 BDADRP C(C[N@@H+]1CCOCC2(CCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000334968757 387051982 /nfs/dbraw/zinc/05/19/82/387051982.db2.gz MGPBRTZMODUWNP-ZDUSSCGKSA-N 2 0 238.375 1.489 20 0 BDADRP C[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)[C@H](C)CN1C ZINC000334970282 387054706 /nfs/dbraw/zinc/05/47/06/387054706.db2.gz UGYMIWJZXYHQQT-CHWSQXEVSA-N 2 0 239.407 1.401 20 0 BDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](C[NH3+])C(C)C ZINC000228005505 387059797 /nfs/dbraw/zinc/05/97/97/387059797.db2.gz TXPMSMVGWISGFH-NEPJUHHUSA-N 2 0 243.395 1.064 20 0 BDADRP c1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)on1 ZINC000334981616 387067477 /nfs/dbraw/zinc/06/74/77/387067477.db2.gz UQYYYRXMIHIXJH-NWDGAFQWSA-N 2 0 235.331 1.496 20 0 BDADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCC1([NH3+])CCC1 ZINC000333186118 387020915 /nfs/dbraw/zinc/02/09/15/387020915.db2.gz SYERAVZPNPMIKD-STQMWFEESA-N 3 0 239.407 1.768 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCOCC23CC3)CC[NH2+]1 ZINC000334882509 387025816 /nfs/dbraw/zinc/02/58/16/387025816.db2.gz NCAWYJSZACMHER-VXGBXAGGSA-N 2 0 224.348 1.239 20 0 BDADRP C[C@H](NCC1([NH3+])CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000333302556 387026974 /nfs/dbraw/zinc/02/69/74/387026974.db2.gz QGKBKHPRBRLQCV-STQMWFEESA-N 2 0 239.407 1.768 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCC3CC[NH2+]CC3)C[C@H]12 ZINC000359223265 387069000 /nfs/dbraw/zinc/06/90/00/387069000.db2.gz QYZVIOFNJCBZQR-HZSPNIEDSA-N 3 0 237.391 1.045 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCC1CC[NH2+]CC1 ZINC000359220985 387070130 /nfs/dbraw/zinc/07/01/30/387070130.db2.gz OEVUBBWCCYRVKM-DGCLKSJQSA-N 2 0 225.380 1.045 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)[C@H]1CCCC[NH2+]1 ZINC000333883487 387070555 /nfs/dbraw/zinc/07/05/55/387070555.db2.gz WRMJQEVCFCZWLT-QNWHQSFQSA-N 3 0 225.380 1.234 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)[C@H]1CCCC[NH2+]1 ZINC000333883494 387070732 /nfs/dbraw/zinc/07/07/32/387070732.db2.gz WRMJQEVCFCZWLT-ZDEQEGDKSA-N 3 0 225.380 1.234 20 0 BDADRP CCCCOCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228473148 387088179 /nfs/dbraw/zinc/08/81/79/387088179.db2.gz SZDAQJWGADSQOH-BFHYXJOUSA-N 2 0 240.391 1.862 20 0 BDADRP CC(C)(C)[C@@H](CO)[NH2+]CCC[NH+]1CCCCC1 ZINC000193102011 387088913 /nfs/dbraw/zinc/08/89/13/387088913.db2.gz XLGRCJINTMOICR-CYBMUJFWSA-N 2 0 242.407 1.859 20 0 BDADRP Cc1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)c(C)n1 ZINC000334998439 387090115 /nfs/dbraw/zinc/09/01/15/387090115.db2.gz QLXMNSKOBUDXNM-GFCCVEGCSA-N 2 0 219.332 1.479 20 0 BDADRP C[N@@H+](CCc1ccccc1)CCN1CC[NH2+]CC1 ZINC000071148790 387094517 /nfs/dbraw/zinc/09/45/17/387094517.db2.gz YRVVHMPWBVEVNM-UHFFFAOYSA-N 2 0 247.386 1.066 20 0 BDADRP CC1(F)CC([NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000335006702 387101189 /nfs/dbraw/zinc/10/11/89/387101189.db2.gz NGTLLHJHMOSWAQ-WHXUTIOJSA-N 2 0 200.301 1.609 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C1CC(F)(F)C1 ZINC000335008204 387103581 /nfs/dbraw/zinc/10/35/81/387103581.db2.gz IIRNXYNUYZDRLZ-WPRPVWTQSA-N 2 0 218.291 1.891 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CC1=CCOCC1 ZINC000335010653 387104515 /nfs/dbraw/zinc/10/45/15/387104515.db2.gz JBCMLIIDTSJAAZ-QWHCGFSZSA-N 2 0 224.348 1.583 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC1=CCOCC1 ZINC000335010652 387104783 /nfs/dbraw/zinc/10/47/83/387104783.db2.gz JBCMLIIDTSJAAZ-OLZOCXBDSA-N 2 0 224.348 1.583 20 0 BDADRP C[C@@H](O)CC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000336279072 387110411 /nfs/dbraw/zinc/11/04/11/387110411.db2.gz SPKIZONSTSUZAK-GFCCVEGCSA-N 2 0 226.364 1.318 20 0 BDADRP C[C@H](O)CC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000336279073 387110949 /nfs/dbraw/zinc/11/09/49/387110949.db2.gz SPKIZONSTSUZAK-LBPRGKRZSA-N 2 0 226.364 1.318 20 0 BDADRP NC[C@H]1CCCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000359215326 387068463 /nfs/dbraw/zinc/06/84/63/387068463.db2.gz JTXNOQKWBKEXHJ-CYBMUJFWSA-N 2 0 225.380 1.189 20 0 BDADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H](C)C[NH3+])[C@H]1C ZINC000423306527 387141718 /nfs/dbraw/zinc/14/17/18/387141718.db2.gz LPUFMOJXCDJZNZ-BJDJZHNGSA-N 2 0 242.363 1.149 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000423307895 387142902 /nfs/dbraw/zinc/14/29/02/387142902.db2.gz NWPROBBEALHCER-AAVRWANBSA-N 2 0 240.391 1.766 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+]CC2C[NH2+]C2)C12CCCC2 ZINC000423308076 387143250 /nfs/dbraw/zinc/14/32/50/387143250.db2.gz XGVIZDKWSIWRFT-STQMWFEESA-N 2 0 238.375 1.533 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@H]2CN(C3CC3)C[C@@H]2C)C1 ZINC000459632674 387147378 /nfs/dbraw/zinc/14/73/78/387147378.db2.gz MCQCHRAVOVBDMB-VTPLQMEGSA-N 2 0 238.375 1.626 20 0 BDADRP COCC1CCC([NH2+]C[C@@H]([NH3+])C2CC2)CC1 ZINC000423312253 387147994 /nfs/dbraw/zinc/14/79/94/387147994.db2.gz CZPPZNSTAWIJIX-KGPNIALWSA-N 2 0 226.364 1.519 20 0 BDADRP CCC[NH2+]CC[NH2+][C@H](CC)[C@@H]1CCOC1 ZINC000423312371 387148231 /nfs/dbraw/zinc/14/82/31/387148231.db2.gz RRHLXEUIAQMLKN-VXGBXAGGSA-N 2 0 214.353 1.391 20 0 BDADRP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C)C[NH3+] ZINC000423312475 387151982 /nfs/dbraw/zinc/15/19/82/387151982.db2.gz VFTQUVKBDAKCFH-SDDRHHMPSA-N 2 0 214.353 1.376 20 0 BDADRP CCC[NH2+]CC[NH2+][C@H]1CCC[C@H]1CCOC ZINC000423316873 387157323 /nfs/dbraw/zinc/15/73/23/387157323.db2.gz YIRHWXBWBJQNQS-STQMWFEESA-N 2 0 228.380 1.781 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@]23C[C@H]2CC[NH2+]3)cc1 ZINC000571754497 387161912 /nfs/dbraw/zinc/16/19/12/387161912.db2.gz KFTHAQOYNQZGGS-PXWWUCIGSA-N 2 0 245.326 1.397 20 0 BDADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CC1C[NH2+]C1 ZINC000423319587 387162008 /nfs/dbraw/zinc/16/20/08/387162008.db2.gz LSFSVAFZCKJXKH-FZMZJTMJSA-N 2 0 234.343 1.572 20 0 BDADRP CC(C)O[C@H]1C[C@H]([NH2+]CCCC[NH3+])C1(C)C ZINC000423342518 387193245 /nfs/dbraw/zinc/19/32/45/387193245.db2.gz YWGULACBSNGXTA-RYUDHWBXSA-N 2 0 228.380 1.907 20 0 BDADRP CC[C@@H]([NH2+]CCCC[NH3+])[C@H]1CCCC[NH2+]1 ZINC000423330609 387173379 /nfs/dbraw/zinc/17/33/79/387173379.db2.gz PJPXOCRSQJRROR-VXGBXAGGSA-N 3 0 213.369 1.236 20 0 BDADRP CCCC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371302000 387188787 /nfs/dbraw/zinc/18/87/87/387188787.db2.gz XGVPZUJKJLHMQC-MELADBBJSA-N 2 0 240.391 1.970 20 0 BDADRP COC[C@H](CC(C)C)[NH2+]CC1=CC[NH2+]CC1 ZINC000423340416 387190171 /nfs/dbraw/zinc/19/01/71/387190171.db2.gz JOUOEMYQKQVEIN-ZDUSSCGKSA-N 2 0 226.364 1.557 20 0 BDADRP C[NH+](C)[C@@H]1CCC[N@H+](CCCF)CC1 ZINC000370665021 387135047 /nfs/dbraw/zinc/13/50/47/387135047.db2.gz MLWHGGFZTOFZDM-LLVKDONJSA-N 2 0 202.317 1.762 20 0 BDADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H](C)C[NH3+] ZINC000423301479 387135002 /nfs/dbraw/zinc/13/50/02/387135002.db2.gz TWGNDMZAFSYMDK-NWDGAFQWSA-N 2 0 249.358 1.588 20 0 BDADRP Cc1ccccc1[C@@H](C)[NH2+]CC1C[NH2+]C1 ZINC000423304189 387137386 /nfs/dbraw/zinc/13/73/86/387137386.db2.gz NMCHBWXECWBIJO-LLVKDONJSA-N 2 0 204.317 1.865 20 0 BDADRP C[NH+](C)CCC[NH2+]C1CC(c2ccccn2)C1 ZINC000370740418 387138475 /nfs/dbraw/zinc/13/84/75/387138475.db2.gz OKKAVBDUVYEABH-UHFFFAOYSA-N 2 0 233.359 1.869 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000300397052 387204177 /nfs/dbraw/zinc/20/41/77/387204177.db2.gz SJMXUIZQXVHHDM-RWMBFGLXSA-N 2 0 228.380 1.501 20 0 BDADRP C[C@@H](Cc1ccoc1)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423353847 387206163 /nfs/dbraw/zinc/20/61/63/387206163.db2.gz DWQRVICJYKDGIK-WCQYABFASA-N 2 0 222.332 1.942 20 0 BDADRP CCC(C)(C)[C@@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000643496277 387206237 /nfs/dbraw/zinc/20/62/37/387206237.db2.gz MAXRDWUYAPXLTF-CYBMUJFWSA-N 2 0 241.423 1.696 20 0 BDADRP C[C@@H](NCC1=CC[NH2+]CC1)[C@H]1CCCC[NH2+]1 ZINC000423357019 387207420 /nfs/dbraw/zinc/20/74/20/387207420.db2.gz RRBPXCMVZSBHDW-DGCLKSJQSA-N 2 0 223.364 1.026 20 0 BDADRP C[C@H](N[C@@H]1CC[NH2+]C[C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000423361763 387212192 /nfs/dbraw/zinc/21/21/92/387212192.db2.gz APCXISZEXJSPGI-XQHKEYJVSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H](C[NH3+])N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000423362874 387215097 /nfs/dbraw/zinc/21/50/97/387215097.db2.gz ILEDWMWURYAKEZ-KCQAQPDRSA-N 2 0 247.386 1.586 20 0 BDADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C1CC(O)C1 ZINC000353498373 387215948 /nfs/dbraw/zinc/21/59/48/387215948.db2.gz VCELLXASVXWPAF-HIFPTAJRSA-N 2 0 226.364 1.316 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000120260690 387216517 /nfs/dbraw/zinc/21/65/17/387216517.db2.gz YMSOLVLADSQKEY-LOWDOPEQSA-N 2 0 224.348 1.380 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCC[C@H]1COCC ZINC000423367735 387218403 /nfs/dbraw/zinc/21/84/03/387218403.db2.gz ALXFQKJLEMABRS-FRRDWIJNSA-N 2 0 228.380 1.779 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423366720 387218465 /nfs/dbraw/zinc/21/84/65/387218465.db2.gz QIBWBPVFYUMHEF-YRGRVCCFSA-N 2 0 237.391 1.201 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000423366942 387219168 /nfs/dbraw/zinc/21/91/68/387219168.db2.gz LXTVPSSKSBTJJR-RNJOBUHISA-N 3 0 225.380 1.363 20 0 BDADRP C[C@H](CCO)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353517295 387220084 /nfs/dbraw/zinc/22/00/84/387220084.db2.gz JWOVRFWEGTWXDA-SYQHCUMBSA-N 2 0 240.391 1.467 20 0 BDADRP CC[C@H](CCO)[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353528745 387223421 /nfs/dbraw/zinc/22/34/21/387223421.db2.gz HPJSAZKHDRNHMW-AAVRWANBSA-N 2 0 240.391 1.610 20 0 BDADRP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000423373023 387225881 /nfs/dbraw/zinc/22/58/81/387225881.db2.gz GTJUDIQJZVEHCS-RQJABVFESA-N 2 0 240.391 1.922 20 0 BDADRP CC[NH2+][C@H](C)CN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423371633 387227719 /nfs/dbraw/zinc/22/77/19/387227719.db2.gz AOBWBBJRFREAIK-GRYCIOLGSA-N 2 0 213.369 1.105 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423372520 387227840 /nfs/dbraw/zinc/22/78/40/387227840.db2.gz VXHSQNACFROTJP-JHJVBQTASA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@H]1CCC[NH2+][C@@H]1C ZINC000423373285 387230354 /nfs/dbraw/zinc/23/03/54/387230354.db2.gz JCGRYNCUQGGILQ-RFHZTLPTSA-N 2 0 237.391 1.199 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+][C@H](C)C[C@H]1CCC[NH2+]1 ZINC000300709352 387238368 /nfs/dbraw/zinc/23/83/68/387238368.db2.gz DBAZOTKVHURXEQ-MRVWCRGKSA-N 2 0 242.407 1.904 20 0 BDADRP CCC[C@H](CCO)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000300698138 387239203 /nfs/dbraw/zinc/23/92/03/387239203.db2.gz VFRCXJKLFDHXQK-RDBSUJKOSA-N 2 0 242.407 1.892 20 0 BDADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H](C)C[NH+](C)C ZINC000360185002 387241250 /nfs/dbraw/zinc/24/12/50/387241250.db2.gz OMBWHNRIHDACHZ-RYUDHWBXSA-N 2 0 243.395 1.219 20 0 BDADRP C[C@H](O)CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353610549 387241227 /nfs/dbraw/zinc/24/12/27/387241227.db2.gz WRTGAISBWUGYTQ-IGQOVBAYSA-N 2 0 240.391 1.610 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)C1(C)C ZINC000423404701 387241791 /nfs/dbraw/zinc/24/17/91/387241791.db2.gz ZDVIENGSRPJOJZ-FVCCEPFGSA-N 2 0 240.391 1.920 20 0 BDADRP CC1(C)CCC[C@H]([NH2+]C[C@H]2C[NH2+]C[C@H]2O)C1 ZINC000423406402 387244650 /nfs/dbraw/zinc/24/46/50/387244650.db2.gz KQMJLPBXHAYDPR-GRYCIOLGSA-N 2 0 226.364 1.125 20 0 BDADRP COC[C@]1(C[NH2+][C@@H]2CCC2(C)C)CCC[NH2+]1 ZINC000423413643 387247014 /nfs/dbraw/zinc/24/70/14/387247014.db2.gz LFCGTHLNMJBABE-DGCLKSJQSA-N 2 0 226.364 1.533 20 0 BDADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000352488928 387251270 /nfs/dbraw/zinc/25/12/70/387251270.db2.gz WEAYTHSNLFSKBE-AWEZNQCLSA-N 3 0 239.407 1.579 20 0 BDADRP CCC(CC)(C[NH3+])C(=O)N1CCC(C)([NH3+])CC1 ZINC000648121588 387310610 /nfs/dbraw/zinc/31/06/10/387310610.db2.gz XLRXUFLOKTUKCM-UHFFFAOYSA-N 2 0 241.379 1.091 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1ccn(C)n1 ZINC000423473766 387319151 /nfs/dbraw/zinc/31/91/51/387319151.db2.gz OAVJSHDKHWTTNV-SRVKXCTJSA-N 2 0 236.363 1.588 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@H]1NC[C@H]1[NH2+]CCCC1(C)C ZINC000423375678 387258282 /nfs/dbraw/zinc/25/82/82/387258282.db2.gz DBPWQWLJHKDTAQ-JHJVBQTASA-N 2 0 239.407 1.304 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2CCCC[C@H]2C[NH3+])CC[NH2+]1 ZINC000423378301 387260864 /nfs/dbraw/zinc/26/08/64/387260864.db2.gz KSLDWGMPOJQIGG-YVECIDJPSA-N 2 0 225.380 1.234 20 0 BDADRP CC[NH2+][C@H](C)CN[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000423383498 387267232 /nfs/dbraw/zinc/26/72/32/387267232.db2.gz PGPWBMCQLUOPAM-LOWVWBTDSA-N 2 0 225.380 1.057 20 0 BDADRP CC[NH2+][C@H](C)CN[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000423383501 387268014 /nfs/dbraw/zinc/26/80/14/387268014.db2.gz PGPWBMCQLUOPAM-WZRBSPASSA-N 2 0 225.380 1.057 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+][C@@H](C)C2)C12CCC2 ZINC000423385807 387268991 /nfs/dbraw/zinc/26/89/91/387268991.db2.gz RBJMNDYRAIMFSC-ZDEQEGDKSA-N 2 0 238.375 1.674 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2[NH2+]CCCC2(C)C)CCO1 ZINC000423389128 387273614 /nfs/dbraw/zinc/27/36/14/387273614.db2.gz NIEFRMJOMOYQGK-UPJWGTAASA-N 2 0 240.391 1.922 20 0 BDADRP CC[NH2+][C@H](C)CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000423391032 387275404 /nfs/dbraw/zinc/27/54/04/387275404.db2.gz PAQPMOCZZHZPSW-AAVRWANBSA-N 2 0 239.407 1.447 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H]1NCCCC1(C)C ZINC000423391473 387276387 /nfs/dbraw/zinc/27/63/87/387276387.db2.gz PMISUJXWHTXCJD-NWDGAFQWSA-N 2 0 227.396 1.482 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1NC[C@H]1[NH2+]CCCC1(C)C ZINC000423393865 387278021 /nfs/dbraw/zinc/27/80/21/387278021.db2.gz RLUGCGFDODRMEG-JHJVBQTASA-N 2 0 239.407 1.352 20 0 BDADRP C[C@H]1C[C@@H](N[C@H]2CC[NH2+]C[C@H]2C)C[N@@H+]1C1CC1 ZINC000423395168 387281636 /nfs/dbraw/zinc/28/16/36/387281636.db2.gz NGAGPHVSSLNMBN-CZXHOFHRSA-N 2 0 237.391 1.199 20 0 BDADRP C[C@@H]1CCC[C@@H](C)C1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423432695 387283025 /nfs/dbraw/zinc/28/30/25/387283025.db2.gz MRDBSQJYTBYEGS-YFVNTRNASA-N 2 0 208.349 1.619 20 0 BDADRP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccn(C)n1 ZINC000423433656 387283118 /nfs/dbraw/zinc/28/31/18/387283118.db2.gz NHZYYBDISAQYLL-SCDSUCTJSA-N 2 0 248.374 1.459 20 0 BDADRP C1CCC2(C1)CCC[C@@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423433775 387285473 /nfs/dbraw/zinc/28/54/73/387285473.db2.gz PNAYIZNEAUVTTN-QNWHQSFQSA-N 2 0 220.360 1.907 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1N[C@H]1C[NH2+]CCC1(F)F ZINC000423480464 387296918 /nfs/dbraw/zinc/29/69/18/387296918.db2.gz NHYPKXFKSOWPIP-AXFHLTTASA-N 2 0 247.333 1.091 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423450049 387300285 /nfs/dbraw/zinc/30/02/85/387300285.db2.gz HCIYYMJDEQVWHE-SDDRHHMPSA-N 2 0 213.369 1.234 20 0 BDADRP CO[C@@H](C)[C@@H](C)[NH2+]CCC[NH2+]C(C)C ZINC000514930518 387308083 /nfs/dbraw/zinc/30/80/83/387308083.db2.gz MYILGEFBWFGTNO-MNOVXSKESA-N 2 0 202.342 1.388 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000160579540 387308235 /nfs/dbraw/zinc/30/82/35/387308235.db2.gz UNGGKDNKPBTEKU-MWLCHTKSSA-N 2 0 210.346 1.917 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCCOC1 ZINC000423459928 387308281 /nfs/dbraw/zinc/30/82/81/387308281.db2.gz AKEVFVBAEXQFRV-DGAVXFQQSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000423460258 387308493 /nfs/dbraw/zinc/30/84/93/387308493.db2.gz RUKHCVDFEUYHLI-QNWHQSFQSA-N 2 0 238.375 1.661 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1N[C@@H]1C[NH2+]CCC1(F)F ZINC000514931720 387308428 /nfs/dbraw/zinc/30/84/28/387308428.db2.gz VXNUGPGBQLNVCL-GMTAPVOTSA-N 2 0 247.333 1.233 20 0 BDADRP COC[C@@H]([NH2+][C@@H](C)CCC[NH3+])C1CCCC1 ZINC000423460413 387309070 /nfs/dbraw/zinc/30/90/70/387309070.db2.gz RYTBMBIYTXDZEA-WCQYABFASA-N 2 0 228.380 1.909 20 0 BDADRP CC[N@@H+]1C[C@@H](C)[C@H](NCCC[NH2+]C2CC2)C1 ZINC000423523332 387354715 /nfs/dbraw/zinc/35/47/15/387354715.db2.gz IFZIYQWFGMNSIW-DGCLKSJQSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC2=CC[NH2+]CC2)[C@@H](C)O1 ZINC000423534771 387360941 /nfs/dbraw/zinc/36/09/41/387360941.db2.gz AVXGDXLGSCDDBF-WZRBSPASSA-N 2 0 224.348 1.452 20 0 BDADRP [NH3+][C@@H]1C[C@H](NC[C@@H]2CCCC[NH2+]2)c2ccccc21 ZINC000643502264 387363466 /nfs/dbraw/zinc/36/34/66/387363466.db2.gz BFFPKPRQTHQIIV-GLQYFDAESA-N 2 0 245.370 1.863 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CCCCN1 ZINC000643502354 387363885 /nfs/dbraw/zinc/36/38/85/387363885.db2.gz DHXJOVUFVZAICR-NWDGAFQWSA-N 2 0 213.369 1.236 20 0 BDADRP CCC[C@H](C(=O)Nc1ccc(C[NH3+])cc1)[NH+](C)C ZINC000423538711 387364456 /nfs/dbraw/zinc/36/44/56/387364456.db2.gz GYYZZMVRQHIJQB-CYBMUJFWSA-N 2 0 249.358 1.814 20 0 BDADRP COCCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423540037 387365530 /nfs/dbraw/zinc/36/55/30/387365530.db2.gz JHRFTUREYKOJFS-REWJHTLYSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)C1CCOCC1 ZINC000423539745 387366502 /nfs/dbraw/zinc/36/65/02/387366502.db2.gz PGELMEBJXRZILT-GFCCVEGCSA-N 2 0 238.375 1.701 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H]1CCCC[NH2+]1 ZINC000643502455 387366612 /nfs/dbraw/zinc/36/66/12/387366612.db2.gz GXTPAYJYLUEDLD-AGIUHOORSA-N 2 0 225.380 1.106 20 0 BDADRP CCOC(=O)C[N@H+](CC)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000515516696 387384327 /nfs/dbraw/zinc/38/43/27/387384327.db2.gz GEWXBAUBVYNHDL-VXGBXAGGSA-N 2 0 242.363 1.260 20 0 BDADRP CCOC(=O)C[N@H+](CC)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000515516695 387384449 /nfs/dbraw/zinc/38/44/49/387384449.db2.gz GEWXBAUBVYNHDL-RYUDHWBXSA-N 2 0 242.363 1.260 20 0 BDADRP C[C@@H]1C[C@@H](NC[C@@H]2CCCC[NH2+]2)c2nccn21 ZINC000643503031 387369276 /nfs/dbraw/zinc/36/92/76/387369276.db2.gz ZHZFBWSOTJZAGX-GRYCIOLGSA-N 2 0 234.347 1.621 20 0 BDADRP CO[C@@H]1[C@@H](C)[C@H]([NH2+]CCC[NH2+]C2CC2)C1(C)C ZINC000423549170 387369737 /nfs/dbraw/zinc/36/97/37/387369737.db2.gz HMRSLQAHAVHUQQ-WCFLWFBJSA-N 2 0 240.391 1.778 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[NH2+]C2)CCO1 ZINC000423554182 387373661 /nfs/dbraw/zinc/37/36/61/387373661.db2.gz LHVCTVROANZZRO-UTUOFQBUSA-N 2 0 212.337 1.286 20 0 BDADRP Cc1cc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc(C)n1 ZINC000423561316 387377353 /nfs/dbraw/zinc/37/73/53/387377353.db2.gz VSFZWIWJQAWKMK-UONOGXRCSA-N 2 0 233.359 1.915 20 0 BDADRP COC[C@@H]([NH2+]CCC[NH2+]C1CC1)C1CCCC1 ZINC000423562546 387377422 /nfs/dbraw/zinc/37/74/22/387377422.db2.gz QQAYYQDKIKVBHG-CQSZACIVSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@H]1CCCC[NH2+]C1 ZINC000423566313 387377766 /nfs/dbraw/zinc/37/77/66/387377766.db2.gz UBUYHDUNTBABQD-DYEKYZERSA-N 2 0 237.391 1.201 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423475180 387322635 /nfs/dbraw/zinc/32/26/35/387322635.db2.gz RSMAMGGZIVFPCY-QNWHQSFQSA-N 2 0 238.375 1.661 20 0 BDADRP CC[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000423480090 387326200 /nfs/dbraw/zinc/32/62/00/387326200.db2.gz MVIKJZQMFUMSDR-MCIONIFRSA-N 3 0 239.407 1.639 20 0 BDADRP CC(C)[C@H](Cn1cccn1)[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000423482988 387328458 /nfs/dbraw/zinc/32/84/58/387328458.db2.gz XQTKPCMEISEPDF-TUAOUCFPSA-N 2 0 224.352 1.233 20 0 BDADRP CC(C)[C@H](Cn1cccn1)[NH2+][C@H](C)[C@@H](C)[NH3+] ZINC000423482989 387329992 /nfs/dbraw/zinc/32/99/92/387329992.db2.gz XQTKPCMEISEPDF-UTUOFQBUSA-N 2 0 224.352 1.233 20 0 BDADRP COC[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)C(C)C ZINC000423485761 387330809 /nfs/dbraw/zinc/33/08/09/387330809.db2.gz RVUQILADDGYHOC-OLZOCXBDSA-N 2 0 228.380 1.779 20 0 BDADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cn[nH]c1 ZINC000423485782 387331598 /nfs/dbraw/zinc/33/15/98/387331598.db2.gz RWNKMJRZYWOXES-CMPLNLGQSA-N 2 0 222.336 1.593 20 0 BDADRP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])[C@@H]1C ZINC000423485333 387331857 /nfs/dbraw/zinc/33/18/57/387331857.db2.gz ZCYJJDNYSWSFJP-LVEVGFFFSA-N 2 0 242.363 1.290 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000423486836 387333030 /nfs/dbraw/zinc/33/30/30/387333030.db2.gz ZYVKXENPHOAPCZ-WISYIIOYSA-N 2 0 224.348 1.271 20 0 BDADRP Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CNCCN2C)c1 ZINC000423488884 387333067 /nfs/dbraw/zinc/33/30/67/387333067.db2.gz ZJWNEDHWAFCWDZ-HIFRSBDPSA-N 2 0 247.386 1.549 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000423486813 387334446 /nfs/dbraw/zinc/33/44/46/387334446.db2.gz ZYVKXENPHOAPCZ-DDHJBXDOSA-N 2 0 224.348 1.271 20 0 BDADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000423495396 387339036 /nfs/dbraw/zinc/33/90/36/387339036.db2.gz FBQSFUPUOPQZPF-FVCCEPFGSA-N 3 0 225.380 1.221 20 0 BDADRP CCc1ccccc1[C@H]([NH3+])CN[C@@H]1CCC[C@@H]1[NH3+] ZINC000423499723 387340702 /nfs/dbraw/zinc/34/07/02/387340702.db2.gz JLHZHZOOFUOTKC-RRFJBIMHSA-N 2 0 247.386 1.718 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)N[C@@H](C[NH3+])C1CCCC1 ZINC000423497101 387341027 /nfs/dbraw/zinc/34/10/27/387341027.db2.gz GBINAUBKQRKULD-NHCYSSNCSA-N 2 0 213.369 1.219 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H](CN)C1CCCC1 ZINC000423503917 387342470 /nfs/dbraw/zinc/34/24/70/387342470.db2.gz NEXAQOPJXUJNOO-DGCLKSJQSA-N 2 0 227.396 1.611 20 0 BDADRP CCc1ccccc1[C@H]([NH3+])CN[C@@H](C)C[C@H](C)[NH3+] ZINC000423508858 387345330 /nfs/dbraw/zinc/34/53/30/387345330.db2.gz QZGZGFRCLKZPFY-SLEUVZQESA-N 2 0 249.402 1.964 20 0 BDADRP C[C@@H]1CN([C@H]2CC[N@H+](C)C[C@@H]2C)C[C@@]1(C)C[NH3+] ZINC000423516346 387351432 /nfs/dbraw/zinc/35/14/32/387351432.db2.gz WPEGXRKVEWMARA-RFQIPJPRSA-N 3 0 239.407 1.243 20 0 BDADRP CC[C@H]([NH3+])C(=O)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000423780794 387425546 /nfs/dbraw/zinc/42/55/46/387425546.db2.gz GUHKGEZLCJDAJD-ZDUSSCGKSA-N 2 0 249.358 1.732 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)cc1 ZINC000336601224 387444320 /nfs/dbraw/zinc/44/43/20/387444320.db2.gz QFFONWYDGYUKEH-GXTWGEPZSA-N 2 0 245.326 1.083 20 0 BDADRP CCC[C@H](C(=O)N[C@@H](C)CCCC[NH3+])[NH+](C)C ZINC000423700724 387401402 /nfs/dbraw/zinc/40/14/02/387401402.db2.gz UQIWAUDJESFQFZ-NWDGAFQWSA-N 2 0 243.395 1.350 20 0 BDADRP CC[NH2+]CCC[NH2+][C@@H](COC)C1CCCC1 ZINC000515634022 387403742 /nfs/dbraw/zinc/40/37/42/387403742.db2.gz CXLWDTOGYMSFPZ-ZDUSSCGKSA-N 2 0 228.380 1.781 20 0 BDADRP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000643468300 387418766 /nfs/dbraw/zinc/41/87/66/387418766.db2.gz LJAOAYQVPRJURY-KYTZWMPUSA-N 2 0 208.349 1.905 20 0 BDADRP CC[N@H+](CC[C@@H]1CCC[NH+]1C)C[C@@H](C)OC ZINC000361572276 387497830 /nfs/dbraw/zinc/49/78/30/387497830.db2.gz CQFMPVWHRJDCCV-OLZOCXBDSA-N 2 0 228.380 1.828 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000643475344 387508662 /nfs/dbraw/zinc/50/86/62/387508662.db2.gz JDMUGOPPIQHIOC-RFQIPJPRSA-N 2 0 240.391 1.922 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@H]1COC(C)(C)C1 ZINC000396894519 387509245 /nfs/dbraw/zinc/50/92/45/387509245.db2.gz RYVXHEFPOVHPAX-LBPRGKRZSA-N 2 0 228.380 1.875 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+][C@H](C)CCC[NH3+])C1 ZINC000643475465 387509208 /nfs/dbraw/zinc/50/92/08/387509208.db2.gz WZIBCMNCBDWOET-GRYCIOLGSA-N 2 0 214.353 1.661 20 0 BDADRP CC(C)CCOCC[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000122322792 387514561 /nfs/dbraw/zinc/51/45/61/387514561.db2.gz XEZYKXFAZSAPEV-OLZOCXBDSA-N 2 0 228.380 1.718 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)C1CC1)N1CC[NH+](C)CC1 ZINC000165294104 387522106 /nfs/dbraw/zinc/52/21/06/387522106.db2.gz LOWUVMIPYYIYKH-NEPJUHHUSA-N 2 0 225.380 1.010 20 0 BDADRP CCC[C@H](C)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000310090715 387533903 /nfs/dbraw/zinc/53/39/03/387533903.db2.gz DWXRQGADYNOEMS-UONOGXRCSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000192795663 387534355 /nfs/dbraw/zinc/53/43/55/387534355.db2.gz BIOQTTJBFYCJEW-RWMBFGLXSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@@H](C[NH2+]CC1(C)COC1)N1CCCC[C@H]1C ZINC000352778155 387475778 /nfs/dbraw/zinc/47/57/78/387475778.db2.gz GDAAGFJTJNCWNF-OLZOCXBDSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1occc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000643472332 387483988 /nfs/dbraw/zinc/48/39/88/387483988.db2.gz XTPKTFRKHZMBSX-PWSUYJOCSA-N 2 0 208.305 1.805 20 0 BDADRP CC(C)[NH2+]CCC[NH2+][C@@H](C)C1CCOCC1 ZINC000643508365 387488943 /nfs/dbraw/zinc/48/89/43/387488943.db2.gz VQAFQKKUHXSLHV-LBPRGKRZSA-N 2 0 228.380 1.779 20 0 BDADRP C[C@H](CN[C@H](C)[C@H]1CCC[NH2+]1)C[NH+]1CCCC1 ZINC000400725156 387590354 /nfs/dbraw/zinc/59/03/54/387590354.db2.gz PEECWFMMPJGNEX-MGPQQGTHSA-N 2 0 239.407 1.448 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)[C@@H]([NH3+])C2CCC2)cc1 ZINC000422535452 387595687 /nfs/dbraw/zinc/59/56/87/387595687.db2.gz CMRWDPUJBUNERV-ZDUSSCGKSA-N 2 0 247.342 1.472 20 0 BDADRP CCC([NH3+])(CC)C[NH2+][C@H](C)CCCCO ZINC000643513770 387597716 /nfs/dbraw/zinc/59/77/16/387597716.db2.gz MOOHEESYNKTGLQ-LLVKDONJSA-N 2 0 216.369 1.645 20 0 BDADRP CCC([NH3+])(CC)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000643513487 387597880 /nfs/dbraw/zinc/59/78/80/387597880.db2.gz CNTCSLDJVBCQAG-GFCCVEGCSA-N 3 0 241.423 1.824 20 0 BDADRP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cccc(C2CC2)c1 ZINC000422555919 387599211 /nfs/dbraw/zinc/59/92/11/387599211.db2.gz RKAMCQQHHCKROX-LSDHHAIUSA-N 2 0 246.354 1.234 20 0 BDADRP CC[N@@H+]1CC[C@H](CN[C@H](C)c2c[nH+]ccc2N)C1 ZINC000422689969 387612293 /nfs/dbraw/zinc/61/22/93/387612293.db2.gz FXYAAHOYWNKHGE-VXGBXAGGSA-N 2 0 248.374 1.487 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000422694712 387613240 /nfs/dbraw/zinc/61/32/40/387613240.db2.gz OIMTYDMOLVLGFI-ROKHWSDSSA-N 3 0 239.407 1.435 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422700556 387616004 /nfs/dbraw/zinc/61/60/04/387616004.db2.gz ACFSPLNNBJDNBS-HOSYDEDBSA-N 2 0 216.369 1.499 20 0 BDADRP Cc1noc(CN(C)CCCn2ccnc2)n1 ZINC000124421061 387618775 /nfs/dbraw/zinc/61/87/75/387618775.db2.gz XUPFJAOWFNPRMJ-UHFFFAOYSA-N 2 0 235.291 1.097 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000422705407 387620288 /nfs/dbraw/zinc/62/02/88/387620288.db2.gz BTYYQISQONXUKD-IRCOFANPSA-N 2 0 214.353 1.110 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422706625 387620489 /nfs/dbraw/zinc/62/04/89/387620489.db2.gz FNPZVIMJYIDTGH-XWLWVQCSSA-N 2 0 202.342 1.109 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000422705406 387620761 /nfs/dbraw/zinc/62/07/61/387620761.db2.gz BTYYQISQONXUKD-FIQHERPVSA-N 2 0 214.353 1.110 20 0 BDADRP CC[N@H+](C)CCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422708082 387622206 /nfs/dbraw/zinc/62/22/06/387622206.db2.gz BIVXBBUDJGFXOQ-NWDGAFQWSA-N 2 0 213.369 1.188 20 0 BDADRP COC[C@@H](C)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422709928 387623039 /nfs/dbraw/zinc/62/30/39/387623039.db2.gz ZXCQGYCIKGBAHP-UNXYVOJBSA-N 2 0 214.353 1.376 20 0 BDADRP CCCC[N@H+](C)CCN[C@H]1CCC[C@H]1[NH3+] ZINC000422708261 387623427 /nfs/dbraw/zinc/62/34/27/387623427.db2.gz ISTVTSITBPASTD-NEPJUHHUSA-N 2 0 213.369 1.188 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)CCO1 ZINC000527533824 387625238 /nfs/dbraw/zinc/62/52/38/387625238.db2.gz VYQBRXLQBRAFMR-GRYCIOLGSA-N 2 0 224.348 1.428 20 0 BDADRP CCC[NH+](CCC)CCCN[C@@H](C)C1C[NH2+]C1 ZINC000422711242 387626256 /nfs/dbraw/zinc/62/62/56/387626256.db2.gz MLAHWICNIYITNG-ZDUSSCGKSA-N 2 0 241.423 1.696 20 0 BDADRP C[C@H]([NH2+]C[C@]1(C)CCOC1)[C@H]1CCCC[NH2+]1 ZINC000397181239 387549779 /nfs/dbraw/zinc/54/97/79/387549779.db2.gz JBUORPYCKOUSRI-XQQFMLRXSA-N 2 0 226.364 1.533 20 0 BDADRP CC[C@@H]([NH3+])C(=O)N[C@H](C)CCC[NH+](CC)CC ZINC000036871245 387556893 /nfs/dbraw/zinc/55/68/93/387556893.db2.gz RLWUQXMGIZWQBP-VXGBXAGGSA-N 2 0 243.395 1.350 20 0 BDADRP CC(C)[C@H](O)CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000305170939 387570016 /nfs/dbraw/zinc/57/00/16/387570016.db2.gz UGODTCVPVIYRIZ-IGQOVBAYSA-N 2 0 242.407 1.712 20 0 BDADRP CC[C@H]([NH2+]CC[C@H](O)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000422792056 387694619 /nfs/dbraw/zinc/69/46/19/387694619.db2.gz ZAIGAGSJOCIQBV-AVGNSLFASA-N 2 0 228.380 1.514 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CCN(C)CC(F)(F)F ZINC000422718385 387631556 /nfs/dbraw/zinc/63/15/56/387631556.db2.gz XCDQXRHFEGSIHA-SECBINFHSA-N 2 0 241.301 1.198 20 0 BDADRP Cc1nccn1CCC[NH2+][C@H](C)CCCC[NH3+] ZINC000422722862 387632254 /nfs/dbraw/zinc/63/22/54/387632254.db2.gz PXMCNUYBIRTBHS-GFCCVEGCSA-N 2 0 238.379 1.689 20 0 BDADRP C[C@H](CN[C@@H]1C[NH2+]CC[C@@H]1C)C[NH+]1CCCC1 ZINC000422723887 387632421 /nfs/dbraw/zinc/63/24/21/387632421.db2.gz STXLVFSJGQZSTD-HZSPNIEDSA-N 2 0 239.407 1.306 20 0 BDADRP CC[N@H+](C)CCN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422722522 387632492 /nfs/dbraw/zinc/63/24/92/387632492.db2.gz YGAKNUAGHYIKAT-HIFRSBDPSA-N 2 0 249.402 1.486 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCCn1ccnc1 ZINC000422726927 387636659 /nfs/dbraw/zinc/63/66/59/387636659.db2.gz AVPZUEXPICXSNG-OLZOCXBDSA-N 2 0 236.363 1.523 20 0 BDADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)C[C@@H]1CCCOC1 ZINC000126798136 387694864 /nfs/dbraw/zinc/69/48/64/387694864.db2.gz KCHNGLLKAJYCLZ-STQMWFEESA-N 2 0 228.380 1.718 20 0 BDADRP CC[NH+](CC)CCCN[C@H](C)C[C@H](C)[NH3+] ZINC000422730174 387637466 /nfs/dbraw/zinc/63/74/66/387637466.db2.gz LSJXDBMHAIJMDH-NWDGAFQWSA-N 2 0 215.385 1.434 20 0 BDADRP C[C@@H]([NH2+]Cc1ccc(F)cc1)C1C[NH2+]C1 ZINC000422728660 387639051 /nfs/dbraw/zinc/63/90/51/387639051.db2.gz JOAHUPWYPIEUOS-SECBINFHSA-N 2 0 208.280 1.523 20 0 BDADRP CC[C@@H]([NH2+]CCCn1ccnc1)[C@@H]1CCC[NH2+]1 ZINC000422735103 387643124 /nfs/dbraw/zinc/64/31/24/387643124.db2.gz VJGJLALDDDYHJW-OLZOCXBDSA-N 2 0 236.363 1.393 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NCC[N@H+](C)C1CCCC1 ZINC000422736205 387643831 /nfs/dbraw/zinc/64/38/31/387643831.db2.gz FUNBVIIKPGWEGQ-NWDGAFQWSA-N 2 0 227.396 1.576 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422736090 387643937 /nfs/dbraw/zinc/64/39/37/387643937.db2.gz VTRBJTFETUQOPY-QWHCGFSZSA-N 3 0 241.423 1.694 20 0 BDADRP CCOCCC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422734691 387643945 /nfs/dbraw/zinc/64/39/45/387643945.db2.gz SUNDHNIFYDDMIO-NWDGAFQWSA-N 2 0 214.353 1.391 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H](O)Cc1ccccc1 ZINC000422736824 387646443 /nfs/dbraw/zinc/64/64/43/387646443.db2.gz GWSWPPDSHQTYEF-GXTWGEPZSA-N 2 0 236.359 1.307 20 0 BDADRP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)ccn1 ZINC000527637866 387646751 /nfs/dbraw/zinc/64/67/51/387646751.db2.gz QAJTYECQVSVIKW-AWEZNQCLSA-N 2 0 245.370 1.964 20 0 BDADRP C[C@@H](NC[C@H](C)[NH+](C)C)[C@@H]1CCCC[NH2+]1 ZINC000422740381 387648133 /nfs/dbraw/zinc/64/81/33/387648133.db2.gz MPWSUOVKIHZFRU-TUAOUCFPSA-N 2 0 213.369 1.057 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CCN(C2CC2)C1 ZINC000422746144 387650241 /nfs/dbraw/zinc/65/02/41/387650241.db2.gz VZYODZUUPXZBKQ-DYEKYZERSA-N 2 0 237.391 1.201 20 0 BDADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000422747408 387650799 /nfs/dbraw/zinc/65/07/99/387650799.db2.gz YMOKRHUWDOQSSO-UONOGXRCSA-N 3 0 239.407 1.578 20 0 BDADRP CCCC[NH+]1CCC(N[C@@H]2CCC[NH2+]C2)CC1 ZINC000043326949 387651104 /nfs/dbraw/zinc/65/11/04/387651104.db2.gz BVIMBRRBUXOCOX-CQSZACIVSA-N 2 0 239.407 1.593 20 0 BDADRP C[C@@H](CCNC1=[NH+]CCCN1)[NH+]1CCCCC1 ZINC000305796320 387654623 /nfs/dbraw/zinc/65/46/23/387654623.db2.gz APTSXNLLNCPONQ-LBPRGKRZSA-N 2 0 238.379 1.190 20 0 BDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H](C)[NH3+])C[C@@H]1C ZINC000430803188 387654799 /nfs/dbraw/zinc/65/47/99/387654799.db2.gz RAKLQKVZCPBHIB-WOPDTQHZSA-N 2 0 241.379 1.055 20 0 BDADRP CC(C)(C)C[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422751971 387656051 /nfs/dbraw/zinc/65/60/51/387656051.db2.gz CBQDEZIFCUJDRR-HNGCFSAESA-N 2 0 240.391 1.656 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCOc1ccccc1 ZINC000422750167 387656258 /nfs/dbraw/zinc/65/62/58/387656258.db2.gz CHYNOLWQAVYKMQ-VXGBXAGGSA-N 2 0 222.332 1.781 20 0 BDADRP CC[C@H]([NH2+][C@H](C)CSC)[C@@H]1CCC[NH2+]1 ZINC000422750030 387656777 /nfs/dbraw/zinc/65/67/77/387656777.db2.gz BXJCLJKVMGCXSA-VWYCJHECSA-N 2 0 216.394 1.858 20 0 BDADRP C[C@H](NC[C@H](c1ccccc1)[NH+](C)C)C1C[NH2+]C1 ZINC000422756464 387661213 /nfs/dbraw/zinc/66/12/13/387661213.db2.gz LMWRBPVKFHNMNG-SWLSCSKDSA-N 2 0 247.386 1.487 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H](O)CC(C)(C)C ZINC000422757659 387661390 /nfs/dbraw/zinc/66/13/90/387661390.db2.gz ISIUTWDVDAVSSD-DCAQKATOSA-N 2 0 216.369 1.499 20 0 BDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424136930 387661728 /nfs/dbraw/zinc/66/17/28/387661728.db2.gz BIAQDMKUMVMGKG-NEPJUHHUSA-N 2 0 247.342 1.342 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000422761480 387663731 /nfs/dbraw/zinc/66/37/31/387663731.db2.gz MQLWNXGQMYPSBI-RFGFWPKPSA-N 2 0 241.423 1.822 20 0 BDADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@H](C)C1C[NH2+]C1 ZINC000422769550 387667064 /nfs/dbraw/zinc/66/70/64/387667064.db2.gz VEJLPXUFSGYDJD-JHJVBQTASA-N 2 0 239.407 1.304 20 0 BDADRP C[N@H+](CCN[C@H]1CCC[C@@H]1[NH3+])Cc1ccccc1 ZINC000422767326 387667774 /nfs/dbraw/zinc/66/77/74/387667774.db2.gz RXOSYKAKWXWRMD-GJZGRUSLSA-N 2 0 247.386 1.588 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCOC1CCCC1 ZINC000422773649 387670515 /nfs/dbraw/zinc/67/05/15/387670515.db2.gz ZBTIWTSKAJDROL-QWRGUYRKSA-N 2 0 214.353 1.661 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCOC1CCCC1 ZINC000422773650 387670714 /nfs/dbraw/zinc/67/07/14/387670714.db2.gz ZBTIWTSKAJDROL-WDEREUQCSA-N 2 0 214.353 1.661 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1COc2ccccc2O1)C1C[NH2+]C1 ZINC000422772876 387671186 /nfs/dbraw/zinc/67/11/86/387671186.db2.gz ZERAYLZAKIYXFL-PWSUYJOCSA-N 2 0 248.326 1.024 20 0 BDADRP CC(C)(C)C[C@@H](O)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422771718 387671483 /nfs/dbraw/zinc/67/14/83/387671483.db2.gz YHVXNCDJDPWOHR-WXRRBKDZSA-N 2 0 242.407 1.891 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)[C@H]1CCC[NH2+]1 ZINC000422775796 387672476 /nfs/dbraw/zinc/67/24/76/387672476.db2.gz CJPFSDRMOHPKLP-LOWDOPEQSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@H](C)N1CCC(C)CC1 ZINC000422775136 387672617 /nfs/dbraw/zinc/67/26/17/387672617.db2.gz AHBQMVDVXMQSKK-KGLIPLIRSA-N 2 0 241.423 1.824 20 0 BDADRP CCCCOCC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000422776540 387672794 /nfs/dbraw/zinc/67/27/94/387672794.db2.gz CVTHXIIOKTYXJF-YNEHKIRRSA-N 2 0 244.379 1.145 20 0 BDADRP C[NH+](C)CCCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422777740 387674413 /nfs/dbraw/zinc/67/44/13/387674413.db2.gz GKMPYEPXNJBTBL-UHFFFAOYSA-N 3 0 227.396 1.435 20 0 BDADRP CCCCOCC[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422777823 387675445 /nfs/dbraw/zinc/67/54/45/387675445.db2.gz GFMWWAZRJHYZOF-JTQLQIEISA-N 2 0 200.326 1.001 20 0 BDADRP CSCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000362925755 387675469 /nfs/dbraw/zinc/67/54/69/387675469.db2.gz LXDWCRLSNGSDNW-UPJWGTAASA-N 2 0 240.416 1.766 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCCn1cccn1 ZINC000126257826 387676567 /nfs/dbraw/zinc/67/65/67/387676567.db2.gz PFBIVGJFELRKNE-CHWSQXEVSA-N 2 0 236.363 1.380 20 0 BDADRP CCCCOCC[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422779800 387678203 /nfs/dbraw/zinc/67/82/03/387678203.db2.gz JEHUULBTBOICLB-MNOVXSKESA-N 2 0 200.326 1.273 20 0 BDADRP COC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000126363498 387680439 /nfs/dbraw/zinc/68/04/39/387680439.db2.gz CZBKVARVXZXKDF-SMDDNHRTSA-N 2 0 238.375 1.485 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cnn(C)c1 ZINC000044498877 387683007 /nfs/dbraw/zinc/68/30/07/387683007.db2.gz ZFJQGQFWLIBPAU-VXGBXAGGSA-N 2 0 248.374 1.555 20 0 BDADRP C[C@H](NCC1([NH+](C)C)CCCC1)C1C[NH2+]C1 ZINC000422785215 387683781 /nfs/dbraw/zinc/68/37/81/387683781.db2.gz MYCKDGGQWUXGAJ-NSHDSACASA-N 2 0 225.380 1.058 20 0 BDADRP CC(C)CCOCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422786197 387686766 /nfs/dbraw/zinc/68/67/66/387686766.db2.gz SIOYNJOZVUVQLJ-PBWFPOADSA-N 2 0 240.391 1.922 20 0 BDADRP COC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)C(C)C ZINC000126502528 387686999 /nfs/dbraw/zinc/68/69/99/387686999.db2.gz UXPOBKJQSAFYKD-KGLIPLIRSA-N 2 0 242.407 1.979 20 0 BDADRP CO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)CCC[NH3+] ZINC000422791524 387693669 /nfs/dbraw/zinc/69/36/69/387693669.db2.gz QGNYSOWXJJRWIA-IJLUTSLNSA-N 2 0 214.353 1.661 20 0 BDADRP C[C@H](CN[C@H]1CCC[C@H]1[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC000422862917 387742944 /nfs/dbraw/zinc/74/29/44/387742944.db2.gz OFAPJCXSGMWNMR-SYQHCUMBSA-N 2 0 239.407 1.576 20 0 BDADRP C[C@H](N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000422861056 387743346 /nfs/dbraw/zinc/74/33/46/387743346.db2.gz IWPSFOKHDXQSHP-CIQGVGRVSA-N 2 0 237.391 1.342 20 0 BDADRP CC1CC[NH+](CCN[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000422859471 387743427 /nfs/dbraw/zinc/74/34/27/387743427.db2.gz KCVGQXBRQCYPEF-KBPBESRZSA-N 2 0 239.407 1.306 20 0 BDADRP C[C@H](NCC[N@@H+]1CCCC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422862098 387744383 /nfs/dbraw/zinc/74/43/83/387744383.db2.gz NJVMRFHSXYPWOY-RDBSUJKOSA-N 2 0 239.407 1.591 20 0 BDADRP COCC[C@@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422860998 387744564 /nfs/dbraw/zinc/74/45/64/387744564.db2.gz NMUPEBJRPDIANY-GMTAPVOTSA-N 2 0 200.326 1.142 20 0 BDADRP C[C@H](CN[C@@H](C)C[C@H](C)[NH3+])[N@@H+]1CCCC[C@H]1C ZINC000422859742 387745284 /nfs/dbraw/zinc/74/52/84/387745284.db2.gz KFOIGPKWTNXLPZ-IGQOVBAYSA-N 2 0 241.423 1.965 20 0 BDADRP C[N@@H+]1CCN(CC[NH2+]CC(C)(C)C)CC1(C)C ZINC000441350873 387748416 /nfs/dbraw/zinc/74/84/16/387748416.db2.gz RMSLZFNEJIOZSV-UHFFFAOYSA-N 2 0 241.423 1.648 20 0 BDADRP CC1CC[NH+](CCN[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000422868055 387748740 /nfs/dbraw/zinc/74/87/40/387748740.db2.gz UFTMHTHHMZWAJC-CHWSQXEVSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@H](NCC[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422871384 387750292 /nfs/dbraw/zinc/75/02/92/387750292.db2.gz ZYKKWJFGZYPKMM-MGPQQGTHSA-N 2 0 239.407 1.448 20 0 BDADRP CC[C@H](Cc1ccccc1)[NH2+]C[C@@H](C)[NH3+] ZINC000643525672 387753074 /nfs/dbraw/zinc/75/30/74/387753074.db2.gz AAHUQFDSSJVUCH-DGCLKSJQSA-N 2 0 206.333 1.945 20 0 BDADRP CO[C@@H](C[NH2+][C@H](C)C1C[NH2+]C1)C(C)(C)C ZINC000422806311 387704314 /nfs/dbraw/zinc/70/43/14/387704314.db2.gz HXZHHNAMTWPABU-KOLCDFICSA-N 2 0 214.353 1.245 20 0 BDADRP CN(CC[NH2+][C@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000422805439 387706545 /nfs/dbraw/zinc/70/65/45/387706545.db2.gz GUIGMDFPLPIPNW-HIFRSBDPSA-N 2 0 247.386 1.840 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CCC[C@H]1[NH3+])C(C)(C)C ZINC000422811565 387708081 /nfs/dbraw/zinc/70/80/81/387708081.db2.gz PEDUGZJXCRPAOK-OUAUKWLOSA-N 2 0 214.353 1.517 20 0 BDADRP C[N@H+](CCCO)CCC[NH+]1CCCCC1 ZINC000440942944 387712476 /nfs/dbraw/zinc/71/24/76/387712476.db2.gz GXLFQXPUWPFCGA-UHFFFAOYSA-N 2 0 214.353 1.177 20 0 BDADRP COc1ccsc1[C@H](C)NC[C@@H](C)[NH3+] ZINC000643527810 387755267 /nfs/dbraw/zinc/75/52/67/387755267.db2.gz SYJXVBPLCAJRIJ-SFYZADRCSA-N 2 0 214.334 1.755 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@]1(C)CCCC[C@@H]1O ZINC000422817008 387714702 /nfs/dbraw/zinc/71/47/02/387714702.db2.gz BYOWSWOYKPKSST-ZDEQEGDKSA-N 2 0 228.380 1.643 20 0 BDADRP C[NH+](C)CCCC[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000045598277 387716537 /nfs/dbraw/zinc/71/65/37/387716537.db2.gz MRWJWCXOFYYXPB-UHFFFAOYSA-N 2 0 249.358 1.217 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cnn(C)c1 ZINC000643522604 387718825 /nfs/dbraw/zinc/71/88/25/387718825.db2.gz PWXRXQRFHCDZCP-OLZOCXBDSA-N 2 0 236.363 1.603 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CCCC[C@H]1O ZINC000422824346 387719654 /nfs/dbraw/zinc/71/96/54/387719654.db2.gz NPIOWDSUJSOMAF-AAVRWANBSA-N 2 0 240.391 1.645 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCc1cccnc1 ZINC000422824015 387720417 /nfs/dbraw/zinc/72/04/17/387720417.db2.gz FXTSLLYVHCYBKK-UONOGXRCSA-N 2 0 233.359 1.874 20 0 BDADRP C[C@H]1C[C@H](O)C[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000452069428 387722526 /nfs/dbraw/zinc/72/25/26/387722526.db2.gz MQWZCUKOGFWYLI-KBPBESRZSA-N 2 0 240.391 1.565 20 0 BDADRP [NH3+][C@@H]1C[C@@H](N[C@H]2CCC[NH2+]CC2)c2ccccc21 ZINC000643522791 387722872 /nfs/dbraw/zinc/72/28/72/387722872.db2.gz FTWOOCIVJKMCEE-NILFDRSVSA-N 2 0 245.370 1.863 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCCOC1CCCC1 ZINC000422829990 387722950 /nfs/dbraw/zinc/72/29/50/387722950.db2.gz QJILUEBQQMQREV-STQMWFEESA-N 2 0 226.364 1.805 20 0 BDADRP CC[N@H+](C)CCN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21 ZINC000367549882 387723753 /nfs/dbraw/zinc/72/37/53/387723753.db2.gz HPITZKCKVRGVRT-BFHYXJOUSA-N 2 0 239.407 1.401 20 0 BDADRP C([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCCO1 ZINC000127726349 387724598 /nfs/dbraw/zinc/72/45/98/387724598.db2.gz LJVZVUQDZNIGEK-UPJWGTAASA-N 2 0 224.348 1.382 20 0 BDADRP C[C@@H]([NH2+]CCc1cc(F)ccc1F)C1C[NH2+]C1 ZINC000422834509 387727044 /nfs/dbraw/zinc/72/70/44/387727044.db2.gz ZRWJELQCVZQUHI-SECBINFHSA-N 2 0 240.297 1.705 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCCNc1ccccn1 ZINC000422838785 387728581 /nfs/dbraw/zinc/72/85/81/387728581.db2.gz YBYLWLUFDRDCIJ-NEPJUHHUSA-N 2 0 234.347 1.353 20 0 BDADRP CC[N@H+](CCN[C@H](C)[C@H]1CCCC[NH2+]1)C(C)C ZINC000422877912 387755805 /nfs/dbraw/zinc/75/58/05/387755805.db2.gz IUUOBFMBWQHEIW-ZIAGYGMSSA-N 2 0 241.423 1.837 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000422842466 387732664 /nfs/dbraw/zinc/73/26/64/387732664.db2.gz YGOXZWOPANSOAA-CYDGBPFRSA-N 2 0 227.396 1.575 20 0 BDADRP CC[C@H]([NH2+][C@H]1C[C@@H](OC)C1(C)C)[C@@H]1CCC[NH2+]1 ZINC000422852326 387737718 /nfs/dbraw/zinc/73/77/18/387737718.db2.gz QIUKZNMYXZHAGI-ZDEQEGDKSA-N 2 0 240.391 1.920 20 0 BDADRP CC(=O)Nc1cccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c1 ZINC000422856216 387740159 /nfs/dbraw/zinc/74/01/59/387740159.db2.gz FUAKOKSIZFBVHH-QWRGUYRKSA-N 2 0 249.358 1.860 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CCCOC1 ZINC000422856116 387740501 /nfs/dbraw/zinc/74/05/01/387740501.db2.gz DPFROPYQVJFBJI-WOPDTQHZSA-N 2 0 212.337 1.143 20 0 BDADRP CCN(CC[NH2+][C@H](C)[C@H]1CCCOC1)C1CC1 ZINC000356898122 387741355 /nfs/dbraw/zinc/74/13/55/387741355.db2.gz MRXGKFQJJIYGFC-OLZOCXBDSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)CO[C@@H]1CCOC1 ZINC000422858943 387741774 /nfs/dbraw/zinc/74/17/74/387741774.db2.gz GTYOQACOMSOLAU-JHJVBQTASA-N 2 0 244.379 1.288 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cccnc1N(C)C ZINC000422859067 387742118 /nfs/dbraw/zinc/74/21/18/387742118.db2.gz JPAKVDVUSRFTBN-GHMZBOCLSA-N 2 0 236.363 1.363 20 0 BDADRP COCCC1(C[NH2+][C@H]2CCC[C@H]2C[NH3+])CCC1 ZINC000422890632 387762620 /nfs/dbraw/zinc/76/26/20/387762620.db2.gz SRPQNPRORKUEMP-STQMWFEESA-N 2 0 240.391 1.910 20 0 BDADRP CC[C@H](CN[C@@H]1C[NH2+]CC[C@@H]1C)[NH+]1CCCC1 ZINC000422961228 387811875 /nfs/dbraw/zinc/81/18/75/387811875.db2.gz BEEJXBVQOQOPTQ-BFHYXJOUSA-N 2 0 239.407 1.448 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCOCC1CC1 ZINC000422892690 387763727 /nfs/dbraw/zinc/76/37/27/387763727.db2.gz ZHBINUHDIVJLOG-CHWSQXEVSA-N 2 0 226.364 1.663 20 0 BDADRP CCn1cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cn1 ZINC000422909242 387768411 /nfs/dbraw/zinc/76/84/11/387768411.db2.gz FJMBSRSDLRJUCP-ZJUUUORDSA-N 2 0 210.325 1.118 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000422909509 387768460 /nfs/dbraw/zinc/76/84/60/387768460.db2.gz OEZNWYRHNOBTCS-MGPQQGTHSA-N 2 0 239.407 1.591 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@@H](C)C[C@@H](C)[NH3+] ZINC000422910131 387769966 /nfs/dbraw/zinc/76/99/66/387769966.db2.gz PVWLZNAGFHXQQP-WOPDTQHZSA-N 2 0 215.385 1.432 20 0 BDADRP COc1cccc(C[C@H]([NH2+]C[C@H](C)[NH3+])C2CC2)c1 ZINC000643528875 387771643 /nfs/dbraw/zinc/77/16/43/387771643.db2.gz QIQZZURVRFFRNB-NHYWBVRUSA-N 2 0 248.370 1.953 20 0 BDADRP CCn1cc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cn1 ZINC000422913204 387771822 /nfs/dbraw/zinc/77/18/22/387771822.db2.gz PJIWHJHHWODSPF-YPMHNXCESA-N 2 0 236.363 1.381 20 0 BDADRP CCN1CCCC[C@H]1C[NH2+][C@H](C)CCCC[NH3+] ZINC000422911858 387771926 /nfs/dbraw/zinc/77/19/26/387771926.db2.gz UOQUHBNBBUOJHS-KGLIPLIRSA-N 2 0 241.423 1.968 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCC(F)(F)F ZINC000422917879 387772785 /nfs/dbraw/zinc/77/27/85/387772785.db2.gz FXRHBRALVQRSSG-IUCAKERBSA-N 2 0 224.270 1.917 20 0 BDADRP CC(C)[C@@H]1OCCC[C@H]1C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422921240 387776066 /nfs/dbraw/zinc/77/60/66/387776066.db2.gz PGWGXHMGTQXPPF-OBJOEFQTSA-N 2 0 240.391 1.635 20 0 BDADRP Cc1cccc(NCC[NH2+][C@H]2CCC[C@H]2[NH3+])n1 ZINC000422922803 387777199 /nfs/dbraw/zinc/77/71/99/387777199.db2.gz UPADZDJWWZBJSB-NEPJUHHUSA-N 2 0 234.347 1.271 20 0 BDADRP C[C@H]([NH3+])CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000643529909 387777773 /nfs/dbraw/zinc/77/77/73/387777773.db2.gz WBBGUIQOXOPQKN-AXTRIDKLSA-N 2 0 205.305 1.068 20 0 BDADRP Cc1cccc(OCC[NH2+][C@@H](C)C2C[NH2+]C2)c1 ZINC000422927092 387779479 /nfs/dbraw/zinc/77/94/79/387779479.db2.gz FKWUJSRBHMYSMG-LBPRGKRZSA-N 2 0 234.343 1.571 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000643530007 387780590 /nfs/dbraw/zinc/78/05/90/387780590.db2.gz WRMOCQCJTSDZHK-WOPDTQHZSA-N 2 0 214.353 1.532 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000422932980 387780964 /nfs/dbraw/zinc/78/09/64/387780964.db2.gz CWRMTUAVRJEYGZ-JQWIXIFHSA-N 2 0 236.363 1.894 20 0 BDADRP CCCC1(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])CC1 ZINC000422932513 387781362 /nfs/dbraw/zinc/78/13/62/387781362.db2.gz ZITDCBXMLWGBHF-FRRDWIJNSA-N 2 0 240.391 1.909 20 0 BDADRP Cc1cccc(NC[C@@H]2CCN(C[C@@H](C)[NH3+])C2)[nH+]1 ZINC000442657253 387813654 /nfs/dbraw/zinc/81/36/54/387813654.db2.gz HFUAQLFCNKIFHC-YPMHNXCESA-N 3 0 248.374 1.471 20 0 BDADRP C[C@H]([NH2+]CCOc1ccc(F)cc1)C1C[NH2+]C1 ZINC000422934134 387782802 /nfs/dbraw/zinc/78/28/02/387782802.db2.gz FKCQNAGIYWJPCK-JTQLQIEISA-N 2 0 238.306 1.402 20 0 BDADRP CO[C@@H](C)CC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422900706 387784746 /nfs/dbraw/zinc/78/47/46/387784746.db2.gz JWYBTGXTGLAWRA-HBNTYKKESA-N 2 0 200.326 1.142 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000422899952 387785659 /nfs/dbraw/zinc/78/56/59/387785659.db2.gz INZKNYQZDDFTNG-UTUOFQBUSA-N 2 0 243.395 1.240 20 0 BDADRP CCOCC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422902357 387787148 /nfs/dbraw/zinc/78/71/48/387787148.db2.gz ULGTUURAWMIYOA-MNOVXSKESA-N 2 0 200.326 1.273 20 0 BDADRP CCOCC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422902168 387787457 /nfs/dbraw/zinc/78/74/57/387787457.db2.gz TXNAAWZBKFVTDT-QWRGUYRKSA-N 2 0 200.326 1.001 20 0 BDADRP C[C@@H]([NH2+]C/C=C\c1ccccc1)C1C[NH2+]C1 ZINC000422983383 387793525 /nfs/dbraw/zinc/79/35/25/387793525.db2.gz ZFWCTSMHDGXXCG-VVEJJEBESA-N 2 0 216.328 1.897 20 0 BDADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1(O)CCC1 ZINC000422982742 387794058 /nfs/dbraw/zinc/79/40/58/387794058.db2.gz XUAAHEKXQDVHQP-JSGCOSHPSA-N 2 0 248.370 1.450 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000422985951 387795096 /nfs/dbraw/zinc/79/50/96/387795096.db2.gz GCFSCJNFPGYABX-GXFFZTMASA-N 2 0 240.322 1.576 20 0 BDADRP CC[NH+]1CCC([NH2+]CC[C@@H]2CCCOC2)CC1 ZINC000527932746 387796789 /nfs/dbraw/zinc/79/67/89/387796789.db2.gz WFERASPNJLLAPZ-ZDUSSCGKSA-N 2 0 240.391 1.877 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCc1ccc(O)cc1 ZINC000422988267 387798124 /nfs/dbraw/zinc/79/81/24/387798124.db2.gz KCHBFYSXIZYKPU-STQMWFEESA-N 2 0 220.316 1.404 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCO[C@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000422989764 387798752 /nfs/dbraw/zinc/79/87/52/387798752.db2.gz MKVPZFJLQHDQAW-MQYQWHSLSA-N 2 0 240.391 1.922 20 0 BDADRP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)CCO1 ZINC000422990525 387799743 /nfs/dbraw/zinc/79/97/43/387799743.db2.gz NREYJSZINLYVIY-XUXIUFHCSA-N 2 0 240.391 1.920 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC12CC(C1)CO2 ZINC000527982541 387800405 /nfs/dbraw/zinc/80/04/05/387800405.db2.gz SVJDTKARMJNEAC-IGYKFCIQSA-N 2 0 238.375 1.484 20 0 BDADRP CC(C)(CCCO)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422993231 387800854 /nfs/dbraw/zinc/80/08/54/387800854.db2.gz RHBOSWYUJBIEKT-UHFFFAOYSA-N 2 0 242.407 1.892 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCc1ccccn1 ZINC000422994528 387801886 /nfs/dbraw/zinc/80/18/86/387801886.db2.gz IBIXWCCNRSHPKI-HIFRSBDPSA-N 2 0 247.386 1.992 20 0 BDADRP CC(C)[C@@H](O)C(C)(C)C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422996886 387802280 /nfs/dbraw/zinc/80/22/80/387802280.db2.gz ADSOFEQAAYYDKU-SDDRHHMPSA-N 2 0 230.396 1.745 20 0 BDADRP CC(C)(C)C[C@H](CO)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422996506 387802817 /nfs/dbraw/zinc/80/28/17/387802817.db2.gz MJELAHOBGBDUFD-WXRRBKDZSA-N 2 0 242.407 1.891 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCc2ccccc2C1)C1C[NH2+]C1 ZINC000643477990 387802901 /nfs/dbraw/zinc/80/29/01/387802901.db2.gz MLBORIVJNGEIEH-QWHCGFSZSA-N 2 0 244.382 1.989 20 0 BDADRP CC(C)[C@H](O)C(C)(C)C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422996888 387803021 /nfs/dbraw/zinc/80/30/21/387803021.db2.gz ADSOFEQAAYYDKU-TUAOUCFPSA-N 2 0 230.396 1.745 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000423001244 387804978 /nfs/dbraw/zinc/80/49/78/387804978.db2.gz DIRPBVWDSLQMJO-XDQVBPFNSA-N 2 0 240.391 1.645 20 0 BDADRP C[C@@H](CCO)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423001185 387805037 /nfs/dbraw/zinc/80/50/37/387805037.db2.gz DDWRETFWZNALNQ-SDDRHHMPSA-N 2 0 214.353 1.125 20 0 BDADRP CCC[C@H](CCO)C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000423001207 387806033 /nfs/dbraw/zinc/80/60/33/387806033.db2.gz DFBIMXZPCZHSHJ-GRYCIOLGSA-N 2 0 214.353 1.255 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCCc1ccccn1 ZINC000423002235 387807525 /nfs/dbraw/zinc/80/75/25/387807525.db2.gz YOZKAPMATMVCAO-OCCSQVGLSA-N 2 0 233.359 1.731 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CC1(C)C ZINC000422956504 387809057 /nfs/dbraw/zinc/80/90/57/387809057.db2.gz PSYFZFXUWRQXCH-WHOHXGKFSA-N 2 0 226.364 1.374 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CC1(C)C ZINC000422956501 387809284 /nfs/dbraw/zinc/80/92/84/387809284.db2.gz PSYFZFXUWRQXCH-BJDJZHNGSA-N 2 0 226.364 1.374 20 0 BDADRP COCC[N@@H+]1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000432117503 387757842 /nfs/dbraw/zinc/75/78/42/387757842.db2.gz UDARIJFSFHYAAZ-LBPRGKRZSA-N 2 0 249.358 1.655 20 0 BDADRP C[C@H]([NH2+]C[C@]1(C)CCCS1)C1C[NH2+]C1 ZINC000422882283 387758006 /nfs/dbraw/zinc/75/80/06/387758006.db2.gz ZVUDBWDYSBZFFD-ONGXEEELSA-N 2 0 214.378 1.470 20 0 BDADRP C[C@H](N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422880918 387758109 /nfs/dbraw/zinc/75/81/09/387758109.db2.gz XUEMCGTWQYRBRU-UVLXDEKHSA-N 2 0 237.391 1.199 20 0 BDADRP C[C@@H]([NH2+]C[C@@]1(C)CCCS1)C1C[NH2+]C1 ZINC000422882281 387758398 /nfs/dbraw/zinc/75/83/98/387758398.db2.gz ZVUDBWDYSBZFFD-MWLCHTKSSA-N 2 0 214.378 1.470 20 0 BDADRP CC(C)[N@H+](C)CCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422882527 387758543 /nfs/dbraw/zinc/75/85/43/387758543.db2.gz SMNSRPVSWGNUNQ-OLZOCXBDSA-N 2 0 227.396 1.304 20 0 BDADRP CCC(O)(CC)C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422972177 387820534 /nfs/dbraw/zinc/82/05/34/387820534.db2.gz KSIGBEMINSCQBX-NWDGAFQWSA-N 2 0 228.380 1.515 20 0 BDADRP CC[C@H]([NH2+]CC1(O)CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000422970916 387820990 /nfs/dbraw/zinc/82/09/90/387820990.db2.gz HNGPXNIPHNZZOM-STQMWFEESA-N 2 0 240.391 1.802 20 0 BDADRP CC[C@@H]([NH2+]CC1(O)CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000422970915 387821593 /nfs/dbraw/zinc/82/15/93/387821593.db2.gz HNGPXNIPHNZZOM-OLZOCXBDSA-N 2 0 240.391 1.802 20 0 BDADRP CCC[N@@H+]1CC[C@H](CN[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000422974471 387823110 /nfs/dbraw/zinc/82/31/10/387823110.db2.gz RCEZBMWNDJREJI-HZSPNIEDSA-N 2 0 239.407 1.435 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422974923 387823399 /nfs/dbraw/zinc/82/33/99/387823399.db2.gz FRWGVBSFHRTPDT-DCAQKATOSA-N 2 0 202.342 1.253 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000423004627 387826335 /nfs/dbraw/zinc/82/63/35/387826335.db2.gz KKGZGVCRNHRRBL-MQYQWHSLSA-N 2 0 240.391 1.515 20 0 BDADRP COc1cccc(CC[NH2+][C@H](C)C[C@H](C)[NH3+])n1 ZINC000423005029 387826405 /nfs/dbraw/zinc/82/64/05/387826405.db2.gz LMTJHSRFCARNSM-WDEREUQCSA-N 2 0 237.347 1.348 20 0 BDADRP CC(C)(CO)CCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000423005023 387827276 /nfs/dbraw/zinc/82/72/76/387827276.db2.gz LMLZCMVDMKLIOK-UHFFFAOYSA-N 2 0 242.407 1.892 20 0 BDADRP C[C@H]([NH2+][C@@H](C)[C@@H]1COc2ccccc21)C1C[NH2+]C1 ZINC000423006156 387828593 /nfs/dbraw/zinc/82/85/93/387828593.db2.gz UIAIZFHUOFYVSQ-MJVIPROJSA-N 2 0 246.354 1.749 20 0 BDADRP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000423007665 387829462 /nfs/dbraw/zinc/82/94/62/387829462.db2.gz YFLJVJHNPTWCID-TUAOUCFPSA-N 2 0 228.380 1.499 20 0 BDADRP CC(C)[C@H](O)C(C)(C)C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000423007664 387829782 /nfs/dbraw/zinc/82/97/82/387829782.db2.gz YFLJVJHNPTWCID-SRVKXCTJSA-N 2 0 228.380 1.499 20 0 BDADRP CCOCCC1(C[NH2+][C@H](C)C[C@H](C)[NH3+])CC1 ZINC000423005782 387829799 /nfs/dbraw/zinc/82/97/99/387829799.db2.gz STLHZIDUAAQMNU-NWDGAFQWSA-N 2 0 228.380 1.909 20 0 BDADRP Cc1cnccc1CC[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423009337 387831893 /nfs/dbraw/zinc/83/18/93/387831893.db2.gz CSOYRVVJFJFOFA-RYUDHWBXSA-N 2 0 221.348 1.648 20 0 BDADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCN(C)c1ccccc1 ZINC000442765894 387835599 /nfs/dbraw/zinc/83/55/99/387835599.db2.gz KATQLMUJOFGHAI-UONOGXRCSA-N 2 0 247.386 1.792 20 0 BDADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423019597 387840252 /nfs/dbraw/zinc/84/02/52/387840252.db2.gz WHPYLOQYZPCPDV-AAVRWANBSA-N 2 0 240.391 1.909 20 0 BDADRP CC[C@H](CSC)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423018493 387840261 /nfs/dbraw/zinc/84/02/61/387840261.db2.gz RFIXSBRTTJGAIV-LPEHRKFASA-N 2 0 204.383 1.843 20 0 BDADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)C1(C)C ZINC000423019093 387842119 /nfs/dbraw/zinc/84/21/19/387842119.db2.gz TYFCTHFSRNWPCR-UJPOAAIJSA-N 2 0 240.391 1.776 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000423026876 387842765 /nfs/dbraw/zinc/84/27/65/387842765.db2.gz CKGZBKAQRZFRGA-NNYUYHANSA-N 2 0 213.369 1.185 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H](CO)CC1CCCC1 ZINC000423024863 387842890 /nfs/dbraw/zinc/84/28/90/387842890.db2.gz MYTOZAOCCYMYEP-DGCLKSJQSA-N 2 0 228.380 1.645 20 0 BDADRP C[C@H](CCN[C@@H](C)C1C[NH2+]C1)[NH+]1CCCCC1 ZINC000423026498 387844563 /nfs/dbraw/zinc/84/45/63/387844563.db2.gz BJPYKJDDPRSGGR-OLZOCXBDSA-N 2 0 239.407 1.448 20 0 BDADRP COCCC(C)(C)C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000423029436 387846639 /nfs/dbraw/zinc/84/66/39/387846639.db2.gz AHGVUDLLOPBZSI-GHMZBOCLSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@H](C[NH2+]C1CCOCC1)C[NH+]1CCCC1 ZINC000062078430 387849865 /nfs/dbraw/zinc/84/98/65/387849865.db2.gz DJUHLLKVRYBSKB-GFCCVEGCSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)NCC1(C[NH+](C)C)CCCC1 ZINC000423037079 387850964 /nfs/dbraw/zinc/85/09/64/387850964.db2.gz MGYAPQRJSQJRQL-CHWSQXEVSA-N 2 0 241.423 1.824 20 0 BDADRP c1ccc2c(c1)CCC[C@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)C2 ZINC000643534340 387852099 /nfs/dbraw/zinc/85/20/99/387852099.db2.gz RYUXYFSFPVFXTL-CAOSSQGBSA-N 2 0 242.366 1.741 20 0 BDADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)[C@H]1CCC[NH2+]1 ZINC000423040808 387852919 /nfs/dbraw/zinc/85/29/19/387852919.db2.gz IAFVKNMKBIPRLI-WUHRBBMRSA-N 2 0 226.364 1.532 20 0 BDADRP CCSCC[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193623298 387859328 /nfs/dbraw/zinc/85/93/28/387859328.db2.gz CCJANKOXFRSYAS-PHIMTYICSA-N 2 0 214.378 1.233 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])C(F)(F)F ZINC000423053180 387859727 /nfs/dbraw/zinc/85/97/27/387859727.db2.gz RGKBWHHBNPCOME-IWSPIJDZSA-N 2 0 224.270 1.902 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1COc2ccc(F)cc21 ZINC000423054364 387860434 /nfs/dbraw/zinc/86/04/34/387860434.db2.gz UQBXIEIXGUZZOX-BXKDBHETSA-N 2 0 238.306 1.976 20 0 BDADRP C[C@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])c1ccncc1 ZINC000643460369 387874382 /nfs/dbraw/zinc/87/43/82/387874382.db2.gz WIPJVWSZUGCAER-XBFCOCLRSA-N 2 0 233.359 1.902 20 0 BDADRP C[C@@H](N[C@@H](C)C[NH+]1CCCCCC1)C1C[NH2+]C1 ZINC000423050788 387860541 /nfs/dbraw/zinc/86/05/41/387860541.db2.gz MCTDIMGYEXHGMS-QWHCGFSZSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000423051950 387860732 /nfs/dbraw/zinc/86/07/32/387860732.db2.gz PKBARQAKYJEDQQ-SCUASFONSA-N 2 0 238.375 1.674 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000423051943 387861136 /nfs/dbraw/zinc/86/11/36/387861136.db2.gz PKBARQAKYJEDQQ-AHLTXXRQSA-N 2 0 238.375 1.674 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000423054706 387862113 /nfs/dbraw/zinc/86/21/13/387862113.db2.gz CCFVKDALUDVPNU-YHQUGGNUSA-N 2 0 238.375 1.661 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+][C@H](CO)Cc1ccccc1 ZINC000423056783 387862515 /nfs/dbraw/zinc/86/25/15/387862515.db2.gz GGZRUESVYYMBOJ-DYEKYZERSA-N 2 0 236.359 1.305 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)[C@@H](C)O1 ZINC000643535369 387862926 /nfs/dbraw/zinc/86/29/26/387862926.db2.gz CSDJAZHAECUFMW-WISYIIOYSA-N 2 0 224.348 1.284 20 0 BDADRP Cc1ccccc1C[C@H](CO)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000423053221 387863608 /nfs/dbraw/zinc/86/36/08/387863608.db2.gz AAOGWJNCYJAHIO-IUODEOHRSA-N 2 0 248.370 1.096 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)[C@H]1C ZINC000643535738 387864525 /nfs/dbraw/zinc/86/45/25/387864525.db2.gz IICGJQBHDKXSQK-NOOOWODRSA-N 2 0 208.349 1.763 20 0 BDADRP C[NH+](C)CCNC(=O)c1ccccc1C[NH+](C)C ZINC000433120056 387866280 /nfs/dbraw/zinc/86/62/80/387866280.db2.gz IMBDYGDVUAOFOI-UHFFFAOYSA-N 2 0 249.358 1.040 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@H]12)[C@H]1CCC[NH2+]1 ZINC000423061663 387866811 /nfs/dbraw/zinc/86/68/11/387866811.db2.gz RDNVZIQOMOXLEX-ZOLYEBIHSA-N 2 0 224.348 1.284 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@H]12)[C@@H]1CCCC[NH2+]1 ZINC000423062125 387867858 /nfs/dbraw/zinc/86/78/58/387867858.db2.gz SMKNEUGHOXZNDK-VJTDZRGJSA-N 2 0 238.375 1.674 20 0 BDADRP Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000423063598 387867937 /nfs/dbraw/zinc/86/79/37/387867937.db2.gz WQDJUFBAGYZNMX-SWLSCSKDSA-N 2 0 248.370 1.096 20 0 BDADRP CC[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)[C@@H]1CCC[NH2+]1 ZINC000643536260 387867981 /nfs/dbraw/zinc/86/79/81/387867981.db2.gz PIHKCBDVOVWVFS-AVGNSLFASA-N 3 0 237.391 1.249 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@H]12)[C@@H]1CCCC[NH2+]1 ZINC000423062119 387867972 /nfs/dbraw/zinc/86/79/72/387867972.db2.gz SMKNEUGHOXZNDK-MEBFFEOJSA-N 2 0 238.375 1.674 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@H]1CC[C@@H](C)C1 ZINC000423066580 387869830 /nfs/dbraw/zinc/86/98/30/387869830.db2.gz XHTWBXCQJCOSIP-NAWOPXAZSA-N 2 0 226.364 1.517 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCc1ccc(CO)cc1 ZINC000643478210 387814707 /nfs/dbraw/zinc/81/47/07/387814707.db2.gz FENOVRZHKWHHGT-VXGBXAGGSA-N 2 0 236.359 1.437 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCc1ccc(CO)cc1 ZINC000643478208 387815490 /nfs/dbraw/zinc/81/54/90/387815490.db2.gz FENOVRZHKWHHGT-NWDGAFQWSA-N 2 0 236.359 1.437 20 0 BDADRP CC(C)SCC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000423104541 387890060 /nfs/dbraw/zinc/89/00/60/387890060.db2.gz HDYQUCHWUFYREU-ZJUUUORDSA-N 2 0 204.383 1.843 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000423106964 387891191 /nfs/dbraw/zinc/89/11/91/387891191.db2.gz KCLPLUZRKUMGRI-QEYWKRMJSA-N 2 0 218.291 1.890 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCN1CC=CCC1 ZINC000423106242 387891399 /nfs/dbraw/zinc/89/13/99/387891399.db2.gz ZLHXKHAPJRRQPY-KBPBESRZSA-N 2 0 237.391 1.226 20 0 BDADRP C[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000423108417 387892633 /nfs/dbraw/zinc/89/26/33/387892633.db2.gz MDGQSNCNFDWQMA-RQJABVFESA-N 2 0 240.391 1.766 20 0 BDADRP CC[C@@H]([NH2+]C[C@H](CO)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000423111184 387892849 /nfs/dbraw/zinc/89/28/49/387892849.db2.gz QDOKYMNMJLETBX-UPJWGTAASA-N 2 0 228.380 1.371 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000423110102 387893248 /nfs/dbraw/zinc/89/32/48/387893248.db2.gz ULVNKMCNVAGXRL-WDEREUQCSA-N 2 0 246.358 1.821 20 0 BDADRP C[C@H]([NH2+]C[C@@](C)(CO)c1ccccc1)C1C[NH2+]C1 ZINC000423114458 387895324 /nfs/dbraw/zinc/89/53/24/387895324.db2.gz VTSJDNPPNCIANO-WFASDCNBSA-N 2 0 248.370 1.134 20 0 BDADRP CO[C@@H](C)[C@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423074844 387874998 /nfs/dbraw/zinc/87/49/98/387874998.db2.gz VPNYAGBXHQBDRA-JYBOHDQNSA-N 2 0 214.353 1.517 20 0 BDADRP COC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000423080331 387876302 /nfs/dbraw/zinc/87/63/02/387876302.db2.gz AAHXKGZGNUVVKJ-QCNOEVLYSA-N 2 0 240.347 1.045 20 0 BDADRP CO[C@H](CC[NH2+][C@@H]1CCC[C@@H]1[NH3+])C(F)(F)F ZINC000423076168 387876459 /nfs/dbraw/zinc/87/64/59/387876459.db2.gz YIAHWRRMJUECFW-DJLDLDEBSA-N 2 0 240.269 1.423 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCSC1)[C@@H]1CCC[NH2+]1 ZINC000423080750 387877055 /nfs/dbraw/zinc/87/70/55/387877055.db2.gz AIIOVTMWDGJVSH-VWYCJHECSA-N 2 0 214.378 1.470 20 0 BDADRP C[C@](O)(C[NH2+][C@@H]1CCC[C@H]1[NH3+])C1CCCCC1 ZINC000423079560 387877131 /nfs/dbraw/zinc/87/71/31/387877131.db2.gz QYETXZDYDSRIDL-MCIONIFRSA-N 2 0 240.391 1.787 20 0 BDADRP CO[C@H](CC[NH2+][C@@H]1CCC[C@H]1[NH3+])C(F)(F)F ZINC000423076170 387877184 /nfs/dbraw/zinc/87/71/84/387877184.db2.gz YIAHWRRMJUECFW-IWSPIJDZSA-N 2 0 240.269 1.423 20 0 BDADRP CCSCCC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423117670 387899036 /nfs/dbraw/zinc/89/90/36/387899036.db2.gz WOOCVJSBNHTDEG-VHSXEESVSA-N 2 0 204.383 1.845 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@H]1CCC[C@@H]1[NH3+] ZINC000423084030 387878985 /nfs/dbraw/zinc/87/89/85/387878985.db2.gz HABBINULQZYILW-WOPDTQHZSA-N 2 0 213.369 1.186 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCSC1)[C@H]1CCCC[NH2+]1 ZINC000423088989 387880324 /nfs/dbraw/zinc/88/03/24/387880324.db2.gz UCTBKQQUKXKCMU-IJLUTSLNSA-N 2 0 228.405 1.860 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000643540523 387881051 /nfs/dbraw/zinc/88/10/51/387881051.db2.gz NUSIBVMAEPOKFW-GARJFASQSA-N 2 0 200.326 1.271 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000423090001 387883232 /nfs/dbraw/zinc/88/32/32/387883232.db2.gz WITFDHBGUSQKDM-MCIONIFRSA-N 2 0 241.423 1.824 20 0 BDADRP C[C@H]([NH2+][C@H](CO)CCC(C)(C)C)C1C[NH2+]C1 ZINC000423093821 387885570 /nfs/dbraw/zinc/88/55/70/387885570.db2.gz INTOZAAKNCDXLN-JQWIXIFHSA-N 2 0 228.380 1.371 20 0 BDADRP CC(C)(C)CC[C@H](CO)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000423098254 387886600 /nfs/dbraw/zinc/88/66/00/387886600.db2.gz RVITVZQOCQDMEN-QWHCGFSZSA-N 2 0 242.407 1.905 20 0 BDADRP C1=CCN(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000423098854 387886839 /nfs/dbraw/zinc/88/68/39/387886839.db2.gz SRPDWDMSBPPZTC-PBWFPOADSA-N 2 0 235.375 1.121 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCCCF ZINC000423142028 387917941 /nfs/dbraw/zinc/91/79/41/387917941.db2.gz SZCSARRRDRBECL-MNOVXSKESA-N 2 0 202.317 1.986 20 0 BDADRP CCC[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])OC ZINC000423142409 387918555 /nfs/dbraw/zinc/91/85/55/387918555.db2.gz AKBGJVLDILINTR-GARJFASQSA-N 2 0 202.342 1.517 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@H](F)C1)[C@H]1CCCC[NH2+]1 ZINC000423120083 387901113 /nfs/dbraw/zinc/90/11/13/387901113.db2.gz GEDONRQCRDQJGM-FIQHERPVSA-N 2 0 214.328 1.997 20 0 BDADRP CC[C@@H]([NH2+]C[C@@H](CO)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423141225 387919214 /nfs/dbraw/zinc/91/92/14/387919214.db2.gz OPMNXTGGGZZYRC-XQQFMLRXSA-N 2 0 226.364 1.125 20 0 BDADRP CCC[C@H](C)C(=O)NCC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423124692 387902337 /nfs/dbraw/zinc/90/23/37/387902337.db2.gz GZXSWHWPLDECNH-SDDRHHMPSA-N 2 0 243.395 1.254 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCC1(F)CCC1 ZINC000423123698 387903369 /nfs/dbraw/zinc/90/33/69/387903369.db2.gz LQJXPXDUDNZSKH-MNOVXSKESA-N 2 0 214.328 1.986 20 0 BDADRP CCOCC(C)(C)C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423124766 387903605 /nfs/dbraw/zinc/90/36/05/387903605.db2.gz PBLHHJREWYEKDL-GHMZBOCLSA-N 2 0 216.369 1.765 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCc1cn[nH]c1 ZINC000423126616 387904383 /nfs/dbraw/zinc/90/43/83/387904383.db2.gz RYLVSZLXHAZGLU-NEPJUHHUSA-N 2 0 222.336 1.202 20 0 BDADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1CCCOC1 ZINC000423127368 387905126 /nfs/dbraw/zinc/90/51/26/387905126.db2.gz PKHOMEYAYULFLO-VHDGCEQUSA-N 2 0 248.370 1.714 20 0 BDADRP CCCCN(C)C[C@@H](C)[NH2+][C@H](C)CCC[NH3+] ZINC000423125477 387905626 /nfs/dbraw/zinc/90/56/26/387905626.db2.gz QQCSRWJZINVWKG-CHWSQXEVSA-N 2 0 229.412 1.824 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1COc2ccccc21 ZINC000423129612 387907136 /nfs/dbraw/zinc/90/71/36/387907136.db2.gz XGJSLCAZMGDVPJ-TUAOUCFPSA-N 2 0 234.343 1.878 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H](F)C1 ZINC000423132816 387909673 /nfs/dbraw/zinc/90/96/73/387909673.db2.gz UYZSOUWVLIZPTE-VLEAKVRGSA-N 2 0 200.301 1.594 20 0 BDADRP COCC(C)(C)CCC[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000423133686 387911452 /nfs/dbraw/zinc/91/14/52/387911452.db2.gz VVQPONYZOHYDDL-NEPJUHHUSA-N 2 0 228.380 1.909 20 0 BDADRP COCC(C)(C)CCC[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000423133688 387911732 /nfs/dbraw/zinc/91/17/32/387911732.db2.gz VVQPONYZOHYDDL-RYUDHWBXSA-N 2 0 228.380 1.909 20 0 BDADRP COCC1(CC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CCC1 ZINC000423135615 387913162 /nfs/dbraw/zinc/91/31/62/387913162.db2.gz OBJGBPXBAGJQAM-CHWSQXEVSA-N 2 0 240.391 1.910 20 0 BDADRP CC[C@H](C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])OC ZINC000423135758 387914026 /nfs/dbraw/zinc/91/40/26/387914026.db2.gz GMHWHMABMWUBOK-WOPDTQHZSA-N 2 0 214.353 1.661 20 0 BDADRP C[C@H](F)CC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423135272 387914722 /nfs/dbraw/zinc/91/47/22/387914722.db2.gz NFBGQIPFNVCHRG-DCAQKATOSA-N 2 0 202.317 1.855 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000423138380 387916801 /nfs/dbraw/zinc/91/68/01/387916801.db2.gz JEBGUOBKIARBBH-GMTAPVOTSA-N 2 0 202.342 1.517 20 0 BDADRP CO[C@@H]1COCC[C@H]1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000423151567 387929973 /nfs/dbraw/zinc/92/99/73/387929973.db2.gz CRPNKTRLEOWRCQ-RWMBFGLXSA-N 2 0 244.379 1.145 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423153013 387931502 /nfs/dbraw/zinc/93/15/02/387931502.db2.gz MSKRHXHKTABGAT-UKKRHICBSA-N 2 0 200.326 1.269 20 0 BDADRP CO[C@H](C[NH2+][C@H](C)C1C[NH2+]C1)Cc1ccccc1 ZINC000423153705 387932236 /nfs/dbraw/zinc/93/22/36/387932236.db2.gz GTKBBTDKDIYULW-DOMZBBRYSA-N 2 0 248.370 1.442 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]C[C@H]1CCCO1 ZINC000423152801 387932722 /nfs/dbraw/zinc/93/27/22/387932722.db2.gz FQVQUWJJORXZPC-GRYCIOLGSA-N 2 0 212.337 1.415 20 0 BDADRP Cc1cccnc1CCC[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000423155101 387934975 /nfs/dbraw/zinc/93/49/75/387934975.db2.gz PXUCBZRGBXGWLQ-TZMCWYRMSA-N 2 0 233.359 1.792 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000423154841 387935328 /nfs/dbraw/zinc/93/53/28/387935328.db2.gz KDEIHARKUHFWGZ-NOOOWODRSA-N 2 0 214.353 1.253 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCC1(F)F ZINC000423154931 387935406 /nfs/dbraw/zinc/93/54/06/387935406.db2.gz PPYXYFNQDCPBGO-OPRDCNLKSA-N 2 0 218.291 1.891 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CC1(CO)CCC1 ZINC000643480603 387935969 /nfs/dbraw/zinc/93/59/69/387935969.db2.gz FMTMABVEGOUUDD-NWDGAFQWSA-N 2 0 226.364 1.399 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1[NH3+])Cc1ccccc1 ZINC000423157270 387936134 /nfs/dbraw/zinc/93/61/34/387936134.db2.gz MJIFIOZBRMPQDZ-SOUVJXGZSA-N 2 0 248.370 1.714 20 0 BDADRP CC/C=C\C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423157328 387936179 /nfs/dbraw/zinc/93/61/79/387936179.db2.gz MORANAVIZTXPDF-HUZDROCFSA-N 2 0 238.375 1.699 20 0 BDADRP C[N@H+](CCCC[NH2+][C@H]1CCC[C@H]1C[NH3+])C1CC1 ZINC000423163834 387922233 /nfs/dbraw/zinc/92/22/33/387922233.db2.gz NPAMZXZWMOLLCO-JSGCOSHPSA-N 3 0 239.407 1.578 20 0 BDADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000423163832 387922669 /nfs/dbraw/zinc/92/26/69/387922669.db2.gz NOLWXUKMZJZUCV-WUHRBBMRSA-N 2 0 226.364 1.659 20 0 BDADRP C[C@@H](CCO)CC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423146726 387924760 /nfs/dbraw/zinc/92/47/60/387924760.db2.gz QDZDQDRXDVKLHR-IJLUTSLNSA-N 2 0 214.353 1.125 20 0 BDADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1=CCCCC1 ZINC000423148501 387925849 /nfs/dbraw/zinc/92/58/49/387925849.db2.gz VMYDBBNGXBLOLY-IACUBPJLSA-N 2 0 238.375 1.829 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000423147227 387926018 /nfs/dbraw/zinc/92/60/18/387926018.db2.gz RKYUIEFIACKBIF-WRWGMCAJSA-N 2 0 214.328 1.855 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]1F)[C@H]1CC[NH2+]C1 ZINC000423147474 387926098 /nfs/dbraw/zinc/92/60/98/387926098.db2.gz SECPRWXSCBYXCF-XWLWVQCSSA-N 2 0 200.301 1.465 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000423148006 387926189 /nfs/dbraw/zinc/92/61/89/387926189.db2.gz DRXWBGLIQOGNAW-FIYWTHMPSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCCC1CCOCC1 ZINC000423148567 387927488 /nfs/dbraw/zinc/92/74/88/387927488.db2.gz VYXOZUMWQCGOMV-NWDGAFQWSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCCC1CCOCC1 ZINC000423148566 387927892 /nfs/dbraw/zinc/92/78/92/387927892.db2.gz VYXOZUMWQCGOMV-NEPJUHHUSA-N 2 0 228.380 1.909 20 0 BDADRP CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000423168117 387952381 /nfs/dbraw/zinc/95/23/81/387952381.db2.gz GSZUAXDHCUFGQU-RKQHYHRCSA-N 2 0 240.391 1.763 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000424285568 387952771 /nfs/dbraw/zinc/95/27/71/387952771.db2.gz FWVSTHNCCWIUIJ-JHJVBQTASA-N 3 0 225.380 1.236 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000423170051 387954539 /nfs/dbraw/zinc/95/45/39/387954539.db2.gz XGKMCGIFOZRQHL-BBBLOLIVSA-N 2 0 225.311 1.997 20 0 BDADRP COCC1(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])CCCC1 ZINC000423169892 387955638 /nfs/dbraw/zinc/95/56/38/387955638.db2.gz WVRXKOSMDHNEGB-NEPJUHHUSA-N 2 0 228.380 1.909 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000423158765 387938471 /nfs/dbraw/zinc/93/84/71/387938471.db2.gz DFBZLVUDGNMGNN-ZJUUUORDSA-N 2 0 218.291 1.891 20 0 BDADRP CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000423160618 387940882 /nfs/dbraw/zinc/94/08/82/387940882.db2.gz ZWXHTINHIVUJIL-QSLWVIQJSA-N 2 0 240.391 1.620 20 0 BDADRP CCCc1ncc(C[NH2+][C@H](C)CCC[NH3+])o1 ZINC000423163896 387941486 /nfs/dbraw/zinc/94/14/86/387941486.db2.gz RPTALYRKIAJASJ-SNVBAGLBSA-N 2 0 225.336 1.844 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)[C@H](C)[C@H](C)[NH3+])c1 ZINC000424236545 387941675 /nfs/dbraw/zinc/94/16/75/387941675.db2.gz JBTHIRJQVULNLO-ZJUUUORDSA-N 2 0 235.331 1.376 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000423160493 387942126 /nfs/dbraw/zinc/94/21/26/387942126.db2.gz HLZRYGDGBXNRJV-WUHRBBMRSA-N 2 0 226.364 1.532 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CCCCOC)[C@H](C)C1 ZINC000158235339 387942451 /nfs/dbraw/zinc/94/24/51/387942451.db2.gz DPRWJBNIKFFRSV-OLZOCXBDSA-N 2 0 228.380 1.733 20 0 BDADRP CO[C@H]([C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000423162568 387943821 /nfs/dbraw/zinc/94/38/21/387943821.db2.gz PXACBHLEDNYSOX-SOCRKWRCSA-N 2 0 238.375 1.673 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000423162088 387943952 /nfs/dbraw/zinc/94/39/52/387943952.db2.gz KHLBDTMVCWBFDD-MROQNXINSA-N 2 0 226.364 1.255 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)CC(C)(C)O)[C@@H]1CCC[NH2+]1 ZINC000423163481 387946222 /nfs/dbraw/zinc/94/62/22/387946222.db2.gz VOLOUUZAISCANE-AXFHLTTASA-N 2 0 214.353 1.266 20 0 BDADRP CC[C@H]([NH2+]C[C@H](C)CCCO)[C@@H]1CCC[NH2+]1 ZINC000423163147 387946542 /nfs/dbraw/zinc/94/65/42/387946542.db2.gz VATZJBUPTDIXQL-AGIUHOORSA-N 2 0 228.380 1.515 20 0 BDADRP COc1ccc(C[NH2+]CC2=CC[N@H+](C)CC2)cn1 ZINC000392255636 387947024 /nfs/dbraw/zinc/94/70/24/387947024.db2.gz XNLNEQZHGCZSSV-UHFFFAOYSA-N 2 0 247.342 1.442 20 0 BDADRP CCn1cc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cn1 ZINC000423164933 387947280 /nfs/dbraw/zinc/94/72/80/387947280.db2.gz UBVPSOOXTFZHCT-DGCLKSJQSA-N 2 0 236.363 1.696 20 0 BDADRP Cc1ccc(CC[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)nc1 ZINC000423165764 387948797 /nfs/dbraw/zinc/94/87/97/387948797.db2.gz QHEJUOSMWYLQDF-DZGCQCFKSA-N 2 0 247.386 1.910 20 0 BDADRP COCCCC[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424282682 387950418 /nfs/dbraw/zinc/95/04/18/387950418.db2.gz AAKCGKQNLNXJND-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])C12CCC2 ZINC000423170297 387958009 /nfs/dbraw/zinc/95/80/09/387958009.db2.gz LOERFLUXBFCNFU-NOOOWODRSA-N 2 0 226.364 1.659 20 0 BDADRP COCC1CCC([NH2+][C@H](C)C[C@H](C)[NH3+])CC1 ZINC000423177368 387964528 /nfs/dbraw/zinc/96/45/28/387964528.db2.gz HIXJATIUQKUFDE-ZFDZMSFRSA-N 2 0 228.380 1.907 20 0 BDADRP CC[N@H+](CC[C@H]1CCC[NH+]1C)C[C@H]1CCCO1 ZINC000245597163 387964591 /nfs/dbraw/zinc/96/45/91/387964591.db2.gz HTLFEPKSNCURGM-ZIAGYGMSSA-N 2 0 240.391 1.972 20 0 BDADRP CCOC[C@H]1CCC[C@H]1[NH2+]C1CC[NH2+]CC1 ZINC000423178712 387964673 /nfs/dbraw/zinc/96/46/73/387964673.db2.gz GLSIEARRKQVNDS-DGCLKSJQSA-N 2 0 226.364 1.533 20 0 BDADRP CC[N@@H+]1C[C@@H](C)[C@@H](NCC2([NH3+])CCCCC2)C1 ZINC000423179879 387966695 /nfs/dbraw/zinc/96/66/95/387966695.db2.gz MRUGVSCJBKOMFX-OLZOCXBDSA-N 2 0 239.407 1.578 20 0 BDADRP CCOC[C@H]1CCC[C@H]1[NH2+]CCC[NH3+] ZINC000423181088 387967921 /nfs/dbraw/zinc/96/79/21/387967921.db2.gz FJCLCNIDTUYXGC-GHMZBOCLSA-N 2 0 200.326 1.130 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])[C@H](C)O1 ZINC000423182298 387968072 /nfs/dbraw/zinc/96/80/72/387968072.db2.gz LKQZNOZQHHJJKU-XVIXHAIJSA-N 2 0 240.391 1.907 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)[C@H]1CCC[NH2+]1 ZINC000423170881 387957680 /nfs/dbraw/zinc/95/76/80/387957680.db2.gz NAEWIVHUIZEIFZ-HZSPNIEDSA-N 3 0 239.407 1.448 20 0 BDADRP COc1ccsc1[C@@H](C)[NH2+]CCC[NH3+] ZINC000423193895 387979512 /nfs/dbraw/zinc/97/95/12/387979512.db2.gz QZDYUVSNXFWQJS-MRVPVSSYSA-N 2 0 214.334 1.756 20 0 BDADRP [NH3+]CCC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000423197444 387981266 /nfs/dbraw/zinc/98/12/66/387981266.db2.gz ZMAJTZPXRKGWPD-FRRDWIJNSA-N 2 0 226.364 1.520 20 0 BDADRP CCn1ccnc1[C@H](C)[NH2+]CCCC[NH+](C)C ZINC000453089207 387981684 /nfs/dbraw/zinc/98/16/84/387981684.db2.gz NODLMHSJVDXXLT-LBPRGKRZSA-N 2 0 238.379 1.895 20 0 BDADRP C[C@@H](NCC1([NH3+])CCCCC1)c1c[nH+]ccc1N ZINC000423188975 387973913 /nfs/dbraw/zinc/97/39/13/387973913.db2.gz ZZSSKZCORQHOTL-LLVKDONJSA-N 2 0 248.374 1.806 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)[C@H](O)C(C)C ZINC000423190931 387975484 /nfs/dbraw/zinc/97/54/84/387975484.db2.gz SERDGWXZLGSZSY-WUHRBBMRSA-N 2 0 228.380 1.512 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CS1 ZINC000423191430 387975656 /nfs/dbraw/zinc/97/56/56/387975656.db2.gz SWQIIHLMSRLROL-ARHMULMVSA-N 2 0 226.389 1.753 20 0 BDADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCC[NH3+] ZINC000423192622 387977523 /nfs/dbraw/zinc/97/75/23/387977523.db2.gz PVQMHNQNLLKFJD-NSHDSACASA-N 2 0 238.306 1.760 20 0 BDADRP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423202603 387987631 /nfs/dbraw/zinc/98/76/31/387987631.db2.gz BCUPMWWTDATXNN-MELADBBJSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@]12C[C@H]1CCC[C@H]2[NH2+]CCN1CC[NH2+]CC1 ZINC000423206354 387992119 /nfs/dbraw/zinc/99/21/19/387992119.db2.gz QNEQCMNANDOUDO-MCIONIFRSA-N 2 0 237.391 1.060 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H](COC)C1CCCC1 ZINC000423205972 387992201 /nfs/dbraw/zinc/99/22/01/387992201.db2.gz WNLFIODKLCRVLK-LBPRGKRZSA-N 2 0 214.353 1.391 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000423207668 387994047 /nfs/dbraw/zinc/99/40/47/387994047.db2.gz YBQUCFOCKPCBAX-IJLUTSLNSA-N 2 0 226.364 1.389 20 0 BDADRP Cc1ncc([C@H](C)NC[C@H]2CCC[NH2+]C2)c(C)n1 ZINC000423213253 387995984 /nfs/dbraw/zinc/99/59/84/387995984.db2.gz NEDRTFWPBCOYMZ-GWCFXTLKSA-N 2 0 248.374 1.744 20 0 BDADRP C[C@H]([NH2+]CC1(C)CCOCC1)[C@H]1CCC[NH2+]1 ZINC000400518998 387995112 /nfs/dbraw/zinc/99/51/12/387995112.db2.gz GWGLIBNUILZUST-NWDGAFQWSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424369507 387995306 /nfs/dbraw/zinc/99/53/06/387995306.db2.gz BYDGTEHHMBCFQY-FRVYIDGWSA-N 2 0 238.375 1.517 20 0 BDADRP C[C@H]([NH3+])CCc1nc(C2([NH3+])CCCCC2)no1 ZINC000424344506 387983660 /nfs/dbraw/zinc/98/36/60/387983660.db2.gz LFRUTTHBDIQEAN-VIFPVBQESA-N 2 0 238.335 1.468 20 0 BDADRP C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)[C@H]1CCC[NH2+]C1 ZINC000423215792 387997088 /nfs/dbraw/zinc/99/70/88/387997088.db2.gz NNLDFNWZDYEMHZ-KVSVUVNWSA-N 2 0 226.364 1.530 20 0 BDADRP C[C@H](NC[C@H]1CCC[NH2+]C1)[C@H]1CCCC[NH2+]1 ZINC000423214869 387997180 /nfs/dbraw/zinc/99/71/80/387997180.db2.gz PUGYRBNEUYADPU-RWMBFGLXSA-N 2 0 225.380 1.106 20 0 BDADRP C1CC1[C@@H]([NH2+][C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000423213462 387998015 /nfs/dbraw/zinc/99/80/15/387998015.db2.gz LHQJLXAMYMAXEO-OLZOCXBDSA-N 2 0 208.349 1.907 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000423218917 387999155 /nfs/dbraw/zinc/99/91/55/387999155.db2.gz SLHXWTJDRBKJCK-QCNOEVLYSA-N 2 0 214.353 1.388 20 0 BDADRP COCCC[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000423218663 388000288 /nfs/dbraw/zinc/00/02/88/388000288.db2.gz SFGPWMJKNDVCMX-XQQFMLRXSA-N 2 0 228.380 1.779 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424372562 387996605 /nfs/dbraw/zinc/99/66/05/387996605.db2.gz WTDIYZOWKFLWFI-IJLUTSLNSA-N 2 0 222.336 1.131 20 0 BDADRP [NH3+][C@@H]1C[C@@H](NC[C@@H]2CCC[NH2+]2)c2ccccc21 ZINC000423230493 388014844 /nfs/dbraw/zinc/01/48/44/388014844.db2.gz DTECSZIJYKTCNH-ZLKJLUDKSA-N 2 0 231.343 1.473 20 0 BDADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423230710 388015323 /nfs/dbraw/zinc/01/53/23/388015323.db2.gz FEBVUYCDKLDPPN-AVGNSLFASA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@@H]([NH3+])c1ccccc1 ZINC000423232320 388016748 /nfs/dbraw/zinc/01/67/48/388016748.db2.gz BWNKOHWGOWEWIM-YUELXQCFSA-N 2 0 247.386 1.616 20 0 BDADRP CC1(C)[C@H]([NH2+]C[C@@H]2CCC[NH2+]2)[C@H]2CCCO[C@H]21 ZINC000423235886 388020305 /nfs/dbraw/zinc/02/03/05/388020305.db2.gz NMHSLUHHIVFHRU-UMSGYPCISA-N 2 0 238.375 1.532 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H]([NH3+])c1ccccc1 ZINC000423238394 388022195 /nfs/dbraw/zinc/02/21/95/388022195.db2.gz ADEASRPINKRBQP-MRVWCRGKSA-N 2 0 233.359 1.274 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1cccc(O)c1 ZINC000423269914 388022881 /nfs/dbraw/zinc/02/28/81/388022881.db2.gz HIHROOXHPURDMQ-GHMZBOCLSA-N 2 0 222.332 1.898 20 0 BDADRP [NH3+][C@H](CN[C@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000423254824 388037655 /nfs/dbraw/zinc/03/76/55/388037655.db2.gz ZPQPPKLTCIMIQG-XQQFMLRXSA-N 2 0 219.332 1.156 20 0 BDADRP CC(C)C[C@@H](C[NH3+])NC1CC[NH+](C2CC2)CC1 ZINC000423259337 388038320 /nfs/dbraw/zinc/03/83/20/388038320.db2.gz DLUJRIKHGLTIDG-ZDUSSCGKSA-N 2 0 239.407 1.576 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1cnccc1C ZINC000423265658 388044507 /nfs/dbraw/zinc/04/45/07/388044507.db2.gz COCIBYHYXPZFMB-CMPLNLGQSA-N 2 0 221.348 1.896 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](COC)C1CCCC1 ZINC000423269937 388026873 /nfs/dbraw/zinc/02/68/73/388026873.db2.gz HKALGWFXLHNUSM-DGCLKSJQSA-N 2 0 228.380 1.637 20 0 BDADRP C[C@H](NC[C@H]([NH3+])c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000423244545 388027933 /nfs/dbraw/zinc/02/79/33/388027933.db2.gz HRSQNVZJZVXTPU-AEGPPILISA-N 2 0 247.386 1.807 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1CCC[NH2+]1)[C@H]1CCOC1 ZINC000423245035 388028997 /nfs/dbraw/zinc/02/89/97/388028997.db2.gz YAROSUBSCYKAJP-TUAOUCFPSA-N 2 0 212.337 1.143 20 0 BDADRP CC[C@@H](NC[C@@H]([NH3+])c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423249308 388031557 /nfs/dbraw/zinc/03/15/57/388031557.db2.gz OPFZOBFNLSCNRV-KFWWJZLASA-N 2 0 247.386 1.807 20 0 BDADRP CC[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423272072 388050896 /nfs/dbraw/zinc/05/08/96/388050896.db2.gz JQWOEWFHGFNGRR-IHRRRGAJSA-N 3 0 239.407 1.496 20 0 BDADRP COCC1CCC([NH2+]C[C@H]([NH3+])C(C)C)CC1 ZINC000423274159 388054596 /nfs/dbraw/zinc/05/45/96/388054596.db2.gz LMHHYEBLEDOXDG-BPCQOVAHSA-N 2 0 228.380 1.765 20 0 BDADRP CC(C)[C@@H]([NH3+])C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000423274881 388054993 /nfs/dbraw/zinc/05/49/93/388054993.db2.gz MRLYIJBQUZLTBJ-QWHCGFSZSA-N 2 0 240.391 1.909 20 0 BDADRP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCCC12CCOCC2 ZINC000423274878 388055691 /nfs/dbraw/zinc/05/56/91/388055691.db2.gz MRLYIJBQUZLTBJ-OLZOCXBDSA-N 2 0 240.391 1.909 20 0 BDADRP CCC([NH3+])(CC)CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000423283271 388064862 /nfs/dbraw/zinc/06/48/62/388064862.db2.gz FCVICCMNIYPKNM-OLZOCXBDSA-N 2 0 239.407 1.720 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)C1CCOCC1 ZINC000423284670 388067219 /nfs/dbraw/zinc/06/72/19/388067219.db2.gz YRGKTKIMAMHYRH-QWRGUYRKSA-N 2 0 214.353 1.247 20 0 BDADRP CC[C@@H](Cn1cncn1)[NH2+]CC([NH3+])(CC)CC ZINC000423288078 388073490 /nfs/dbraw/zinc/07/34/90/388073490.db2.gz QKHOWFLZLBVNIR-NSHDSACASA-N 2 0 239.367 1.164 20 0 BDADRP CO[C@@H](C)[C@H](C)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453402159 388073919 /nfs/dbraw/zinc/07/39/19/388073919.db2.gz NFHWAJPWTHVYBZ-RYUDHWBXSA-N 2 0 228.380 1.874 20 0 BDADRP CC(C)([NH3+])C[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000423289218 388074218 /nfs/dbraw/zinc/07/42/18/388074218.db2.gz WMLPBSOKPMIHHS-RWMBFGLXSA-N 2 0 240.391 1.909 20 0 BDADRP Cc1ccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])cn1 ZINC000084221739 388074586 /nfs/dbraw/zinc/07/45/86/388074586.db2.gz VCKJGWHCNOEEHO-STQMWFEESA-N 2 0 219.332 1.607 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCc1ccncc1 ZINC000084219958 388075212 /nfs/dbraw/zinc/07/52/12/388075212.db2.gz UQTVXDPTYXYGTN-STQMWFEESA-N 2 0 219.332 1.341 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCc1ccncc1 ZINC000084219955 388075291 /nfs/dbraw/zinc/07/52/91/388075291.db2.gz UQTVXDPTYXYGTN-QWHCGFSZSA-N 2 0 219.332 1.341 20 0 BDADRP CCC([NH3+])(CC)C[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000423291388 388075462 /nfs/dbraw/zinc/07/54/62/388075462.db2.gz ICRMPNPMWLPBRR-GARJFASQSA-N 2 0 214.353 1.659 20 0 BDADRP Cc1n[nH]cc1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000084216285 388075644 /nfs/dbraw/zinc/07/56/44/388075644.db2.gz NHXSBEBKGKTSDZ-ZYHUDNBSSA-N 2 0 222.336 1.325 20 0 BDADRP CCC([NH3+])(CC)C[NH2+][C@H]1CCOC[C@@H]1C ZINC000423292580 388075641 /nfs/dbraw/zinc/07/56/41/388075641.db2.gz NJNQVKNPKOSFQC-QWRGUYRKSA-N 2 0 214.353 1.519 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@H]1C[NH2+]CC[C@H]1C ZINC000423293577 388076214 /nfs/dbraw/zinc/07/62/14/388076214.db2.gz AFFUOLVTRRQTKA-UTUOFQBUSA-N 2 0 213.369 1.092 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000423294469 388077003 /nfs/dbraw/zinc/07/70/03/388077003.db2.gz CBUIWYVCYCIZGH-IJLUTSLNSA-N 2 0 213.369 1.221 20 0 BDADRP COc1cccc2c1CC[C@@H]2[NH2+]C[C@@H](C)C[NH3+] ZINC000423297296 388078566 /nfs/dbraw/zinc/07/85/66/388078566.db2.gz JRKCQDAVKVCULF-GWCFXTLKSA-N 2 0 234.343 1.867 20 0 BDADRP C[C@@H]1COCC[C@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453419319 388080018 /nfs/dbraw/zinc/08/00/18/388080018.db2.gz YSEQYSZMHVSOKA-TZMCWYRMSA-N 2 0 240.391 1.875 20 0 BDADRP C[N@H+](Cc1ccc2c(c1)CCO2)C1CC[NH2+]CC1 ZINC000084565846 388080455 /nfs/dbraw/zinc/08/04/55/388080455.db2.gz IKZGADBIPFOKLP-UHFFFAOYSA-N 2 0 246.354 1.805 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000447584670 388081191 /nfs/dbraw/zinc/08/11/91/388081191.db2.gz GPPPMNJJMCTWBZ-RKFYDKJMSA-N 2 0 237.391 1.151 20 0 BDADRP Cc1cn[nH]c1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453602530 388090977 /nfs/dbraw/zinc/09/09/77/388090977.db2.gz WNZOAVCQNLHKDG-UHFFFAOYSA-N 2 0 236.363 1.682 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](CO)c1ccccc1 ZINC000336661087 388099944 /nfs/dbraw/zinc/09/99/44/388099944.db2.gz NWJKXPRWMWNWPL-AAEUAGOBSA-N 2 0 222.332 1.437 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H](CO)c1ccccc1 ZINC000336661140 388101252 /nfs/dbraw/zinc/10/12/52/388101252.db2.gz NWJKXPRWMWNWPL-YPMHNXCESA-N 2 0 222.332 1.437 20 0 BDADRP CCCCOCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000336661405 388103938 /nfs/dbraw/zinc/10/39/38/388103938.db2.gz JYSYGKRGQFUYRP-XQQFMLRXSA-N 2 0 226.364 1.472 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ccncc1 ZINC000423266536 388045389 /nfs/dbraw/zinc/04/53/89/388045389.db2.gz DEDUXEXQDYOXBU-QWRGUYRKSA-N 2 0 207.321 1.588 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423267481 388045668 /nfs/dbraw/zinc/04/56/68/388045668.db2.gz FEULCHAPRATLNB-RWMBFGLXSA-N 3 0 225.380 1.093 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000423270717 388049054 /nfs/dbraw/zinc/04/90/54/388049054.db2.gz IFVZBQACWNVPPJ-GXTWGEPZSA-N 2 0 248.370 1.825 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000488444456 388179503 /nfs/dbraw/zinc/17/95/03/388179503.db2.gz HTPACOBWSKPWFF-MGPQQGTHSA-N 2 0 240.391 1.469 20 0 BDADRP CCCC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103790 388142970 /nfs/dbraw/zinc/14/29/70/388142970.db2.gz OTHIATUDXNSPEH-UHFFFAOYSA-N 2 0 226.364 1.583 20 0 BDADRP CCSCC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261527979 135152920 /nfs/dbraw/zinc/15/29/20/135152920.db2.gz IJDMYIABWSOESS-NSHDSACASA-N 2 0 214.378 1.425 20 0 BDADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000449125564 388146348 /nfs/dbraw/zinc/14/63/48/388146348.db2.gz RHRROBOCDAMMMO-MNOVXSKESA-N 2 0 243.395 1.110 20 0 BDADRP Cc1[nH+]ccc(N2CC[NH2+]CC2)c1Cl ZINC000261527824 135153098 /nfs/dbraw/zinc/15/30/98/135153098.db2.gz HNJXGZLCKXZMAL-UHFFFAOYSA-N 2 0 211.696 1.453 20 0 BDADRP CCC[N@H+](C)CC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000449663439 388250764 /nfs/dbraw/zinc/25/07/64/388250764.db2.gz AKLMUEMEOALXEI-UHFFFAOYSA-N 2 0 247.342 1.570 20 0 BDADRP CC(C)C[C@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000449668027 388251510 /nfs/dbraw/zinc/25/15/10/388251510.db2.gz SCTGRWGEJUSGNE-ZDUSSCGKSA-N 2 0 247.342 1.602 20 0 BDADRP CC[C@H](O)[C@H](CC)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000313106221 256537472 /nfs/dbraw/zinc/53/74/72/256537472.db2.gz XPMLWVKRLOQLHI-WOPDTQHZSA-N 2 0 214.353 1.268 20 0 BDADRP CC[C@H](O)[C@H](CC)[NH2+][C@@H](C)CCC[NH3+] ZINC000313137520 256540486 /nfs/dbraw/zinc/54/04/86/256540486.db2.gz GLKOFKXVBDSUDK-DCAQKATOSA-N 2 0 202.342 1.253 20 0 BDADRP CC(C)[C@@H]1CN(C[C@@H](C)[NH3+])CCS1 ZINC000261528780 135154152 /nfs/dbraw/zinc/15/41/52/135154152.db2.gz NUUYMZXIEPTCAL-ZJUUUORDSA-N 2 0 202.367 1.407 20 0 BDADRP C[C@H](CCC[NH3+])NC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000449573912 388235672 /nfs/dbraw/zinc/23/56/72/388235672.db2.gz UJBSCOLHGKNXNF-WZRBSPASSA-N 2 0 241.379 1.138 20 0 BDADRP C[C@@H](CCC[NH3+])NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000449574039 388236136 /nfs/dbraw/zinc/23/61/36/388236136.db2.gz VGLWZLWOUDXBMN-SDDRHHMPSA-N 2 0 241.379 1.103 20 0 BDADRP C[C@H](C[NH2+]C/C=C/c1ccncc1)C[NH+](C)C ZINC000491597212 388304852 /nfs/dbraw/zinc/30/48/52/388304852.db2.gz SHBFLHBNTHGQME-MUBLQREKSA-N 2 0 233.359 1.882 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCSC2)C[C@H]1[NH3+] ZINC000261528609 135154621 /nfs/dbraw/zinc/15/46/21/135154621.db2.gz MQXPNUCEMJRQNO-KXUCPTDWSA-N 2 0 200.351 1.019 20 0 BDADRP C[N@@H+]1CCC[C@H]1CCN1CC[C@@](O)(C(F)F)C1 ZINC000451426028 388272405 /nfs/dbraw/zinc/27/24/05/388272405.db2.gz HTXYRYPECDNROV-JQWIXIFHSA-N 2 0 248.317 1.173 20 0 BDADRP CC[NH+]1CCC(C[NH2+]C[C@@H](C)COC)CC1 ZINC000163327548 388360965 /nfs/dbraw/zinc/36/09/65/388360965.db2.gz WEVAFESVNKEUFD-GFCCVEGCSA-N 2 0 228.380 1.590 20 0 BDADRP COc1ccc([C@@H](C)N[C@H](C)C[NH3+])cc1 ZINC000234883744 388361606 /nfs/dbraw/zinc/36/16/06/388361606.db2.gz DULSQTVJHMXLLP-NXEZZACHSA-N 2 0 208.305 1.693 20 0 BDADRP Cc1nc(C)c(CN2C[C@@H](C)[C@@H]([NH3+])C2)s1 ZINC000235335116 388367528 /nfs/dbraw/zinc/36/75/28/388367528.db2.gz JTJXKTUNCMQXMW-XCBNKYQSSA-N 2 0 225.361 1.539 20 0 BDADRP C[C@H](C[NH3+])N[C@H](C)c1ccc(F)cc1F ZINC000235462224 388369380 /nfs/dbraw/zinc/36/93/80/388369380.db2.gz PEUJBLOFGWPIDI-HTQZYQBOSA-N 2 0 214.259 1.963 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCC[NH2+]C1 ZINC000572822560 388378628 /nfs/dbraw/zinc/37/86/28/388378628.db2.gz PNJDECXCJJYOHG-DGAVXFQQSA-N 2 0 239.407 1.482 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCC[NH2+]C1 ZINC000572822562 388379112 /nfs/dbraw/zinc/37/91/12/388379112.db2.gz PNJDECXCJJYOHG-RFQIPJPRSA-N 2 0 239.407 1.482 20 0 BDADRP CCC[N@@H+]1CCC[C@H]1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000572855499 388381400 /nfs/dbraw/zinc/38/14/00/388381400.db2.gz BJFOIOWIUKFJJS-MCIONIFRSA-N 3 0 239.407 1.720 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H](O)C1CCC1 ZINC000316092867 388405980 /nfs/dbraw/zinc/40/59/80/388405980.db2.gz BMICRERHZPOPRA-KGYLQXTDSA-N 2 0 226.364 1.077 20 0 BDADRP CC[C@@H]1CN(CC(C)(C)[NH3+])C[C@H](C)O1 ZINC000261531232 135159628 /nfs/dbraw/zinc/15/96/28/135159628.db2.gz FTYZITBETQOEEP-VHSXEESVSA-N 2 0 200.326 1.223 20 0 BDADRP CC[C@](C)(C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)OC ZINC000322653810 388442984 /nfs/dbraw/zinc/44/29/84/388442984.db2.gz YGNCBULPZXMSTR-RWMBFGLXSA-N 2 0 228.380 1.731 20 0 BDADRP FC(F)(F)CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000334999003 388448402 /nfs/dbraw/zinc/44/84/02/388448402.db2.gz YYRBQZRCNVVTPW-AOOOYVTPSA-N 2 0 236.281 1.870 20 0 BDADRP CC[C@@H]([NH2+]CCOCC[NH+](C)C)C1CCC1 ZINC000322862469 388449505 /nfs/dbraw/zinc/44/95/05/388449505.db2.gz UMCSJJYGOIDFQE-CYBMUJFWSA-N 2 0 228.380 1.733 20 0 BDADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]CC1(F)CC1 ZINC000525985371 388449729 /nfs/dbraw/zinc/44/97/29/388449729.db2.gz TVXMLQSXJRXIID-GFCCVEGCSA-N 2 0 244.354 1.315 20 0 BDADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]CC1(F)CC1 ZINC000525985372 388450205 /nfs/dbraw/zinc/45/02/05/388450205.db2.gz TVXMLQSXJRXIID-LBPRGKRZSA-N 2 0 244.354 1.315 20 0 BDADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CC[NH+]3CCC[C@H]3C2)CC1 ZINC000336345882 388457244 /nfs/dbraw/zinc/45/72/44/388457244.db2.gz HDHWVJXYTVQFAI-CABCVRRESA-N 3 0 249.402 1.465 20 0 BDADRP COCCC[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397350027 388460960 /nfs/dbraw/zinc/46/09/60/388460960.db2.gz ZQSUFYQGTVFYBI-UTUOFQBUSA-N 2 0 214.353 1.328 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]Cc1cccc2cccnc21 ZINC000336727732 388469547 /nfs/dbraw/zinc/46/95/47/388469547.db2.gz WECQTNCMUPHJBU-NSHDSACASA-N 2 0 229.327 1.919 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](CC2CCOCC2)C[C@H]1C[NH3+] ZINC000397486141 388474490 /nfs/dbraw/zinc/47/44/90/388474490.db2.gz UZXYSUQWDZDFKS-MBNYWOFBSA-N 2 0 240.391 1.718 20 0 BDADRP CC(C)[C@H](C(=O)Nc1cccc(C[NH3+])c1)[NH+](C)C ZINC000649268447 388478728 /nfs/dbraw/zinc/47/87/28/388478728.db2.gz GUIFXTIFFONFJJ-CYBMUJFWSA-N 2 0 249.358 1.670 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C2CCC2)CC[N@@H+]1C ZINC000316335370 388410394 /nfs/dbraw/zinc/41/03/94/388410394.db2.gz GWFZXTGRIIWQPO-RAIGVLPGSA-N 2 0 226.364 1.220 20 0 BDADRP Cc1cnccc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000296603792 388425215 /nfs/dbraw/zinc/42/52/15/388425215.db2.gz YRRBMDDBZCTCNG-CYBMUJFWSA-N 2 0 245.370 1.964 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CCCO2)[C@H](C)C1 ZINC000167042798 388437581 /nfs/dbraw/zinc/43/75/81/388437581.db2.gz RBHQNCPZKRRJDY-RDBSUJKOSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1nc(C)c(C[NH2+]CCCC[NH3+])s1 ZINC000084148950 135187762 /nfs/dbraw/zinc/18/77/62/135187762.db2.gz BNALCIVKMOAHBK-UHFFFAOYSA-N 2 0 213.350 1.588 20 0 BDADRP C[C@H](CCO)CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000397800446 388500632 /nfs/dbraw/zinc/50/06/32/388500632.db2.gz WCJJSXUQVIGSTF-RFQIPJPRSA-N 2 0 242.407 1.713 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CSC[C@H]1C ZINC000397805625 388501066 /nfs/dbraw/zinc/50/10/66/388501066.db2.gz NAJVBDMVTFMLSV-VWYCJHECSA-N 2 0 232.393 1.081 20 0 BDADRP CCOC[C@H](C)[NH2+]CCC[NH2+]C(C)C ZINC000516642929 388512881 /nfs/dbraw/zinc/51/28/81/388512881.db2.gz DBHNKKXGVNOEBN-NSHDSACASA-N 2 0 202.342 1.389 20 0 BDADRP COC(=O)CC1(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000520833201 388515062 /nfs/dbraw/zinc/51/50/62/388515062.db2.gz OUGMBFJOZHISFW-GHMZBOCLSA-N 2 0 240.347 1.141 20 0 BDADRP COC[C@H]([NH2+]CC1(C)CC[NH2+]CC1)C1CC1 ZINC000398060977 388516886 /nfs/dbraw/zinc/51/68/86/388516886.db2.gz BGYOKOJSCDEDHZ-LBPRGKRZSA-N 2 0 226.364 1.391 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000348273913 388528141 /nfs/dbraw/zinc/52/81/41/388528141.db2.gz AJZCVAOQTRHAQC-FRRDWIJNSA-N 2 0 240.391 1.466 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)CCO1 ZINC000356670323 388550170 /nfs/dbraw/zinc/55/01/70/388550170.db2.gz FVJKSZYKLOVAGQ-AAVRWANBSA-N 2 0 240.391 1.731 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000379221206 388599793 /nfs/dbraw/zinc/59/97/93/388599793.db2.gz PVBSCTATORFXQW-GXTWGEPZSA-N 2 0 234.343 1.655 20 0 BDADRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)[C@@H]1CCCOC1 ZINC000356836052 388551049 /nfs/dbraw/zinc/55/10/49/388551049.db2.gz CUSSNQJIFBRIOY-ZIAGYGMSSA-N 2 0 240.391 1.877 20 0 BDADRP Cc1cnccc1CC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000358248874 388554281 /nfs/dbraw/zinc/55/42/81/388554281.db2.gz IHSABZUOUVPOPD-HIFRSBDPSA-N 2 0 247.386 1.862 20 0 BDADRP CN(CCC[NH+](C)C)Cc1cccc(C(N)=O)c1 ZINC000548783770 388562262 /nfs/dbraw/zinc/56/22/62/388562262.db2.gz VKZSCKFLOJGUTH-UHFFFAOYSA-N 2 0 249.358 1.169 20 0 BDADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCCCCO)C1 ZINC000081573043 388584546 /nfs/dbraw/zinc/58/45/46/388584546.db2.gz STASNNWNMKPHSB-AWEZNQCLSA-N 2 0 242.407 1.813 20 0 BDADRP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CCOC1(C)C ZINC000328204556 388585902 /nfs/dbraw/zinc/58/59/02/388585902.db2.gz HKZPDLHXPIAYHJ-NSHDSACASA-N 2 0 228.380 1.731 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1CO ZINC000521609706 388619416 /nfs/dbraw/zinc/61/94/16/388619416.db2.gz IJVXIFZYRBGXMP-FZMZJTMJSA-N 2 0 234.343 1.396 20 0 BDADRP C[N@@H+]1CCN(CCC[NH+]2CCCC2)CC1(C)C ZINC000551040559 388620673 /nfs/dbraw/zinc/62/06/73/388620673.db2.gz MGVODINOFDTAPK-UHFFFAOYSA-N 2 0 239.407 1.498 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2CC[NH2+]C23CCC3)C[N@@H+]1C1CC1 ZINC000530179946 388622768 /nfs/dbraw/zinc/62/27/68/388622768.db2.gz ZAEJYUAEVZIECD-DYEKYZERSA-N 2 0 249.402 1.486 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@H](C)Cn1cccn1 ZINC000139060546 388624741 /nfs/dbraw/zinc/62/47/41/388624741.db2.gz FYYXIQVNTHLKKT-CYBMUJFWSA-N 2 0 238.379 1.593 20 0 BDADRP CCC[C@H](C[NH2+][C@H]1CCC[C@H]1[NH3+])OCC ZINC000530206720 388626103 /nfs/dbraw/zinc/62/61/03/388626103.db2.gz BJJQZHYRYXOYSC-UTUOFQBUSA-N 2 0 214.353 1.661 20 0 BDADRP C1CC2(C1)[NH2+]CC[C@@H]2NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000530216033 388629135 /nfs/dbraw/zinc/62/91/35/388629135.db2.gz LYLPJRGANDZQHY-HNGCFSAESA-N 2 0 235.375 1.144 20 0 BDADRP C[C@H](N[C@H]1CC[NH2+]C12CCC2)[C@@H]1CCC[NH2+]1 ZINC000530215871 388629153 /nfs/dbraw/zinc/62/91/53/388629153.db2.gz JVIIZJCKGIEKLG-SRVKXCTJSA-N 2 0 223.364 1.001 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC12CC(C1)CO2 ZINC000530222582 388632801 /nfs/dbraw/zinc/63/28/01/388632801.db2.gz RQPFRAJBCMKQCO-CMOBGSAGSA-N 2 0 224.348 1.273 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC12CC(C1)CO2 ZINC000530222585 388632891 /nfs/dbraw/zinc/63/28/91/388632891.db2.gz RQPFRAJBCMKQCO-ZFQMDJOTSA-N 2 0 224.348 1.273 20 0 BDADRP CC[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)[C@@H]1CCOC1 ZINC000530224239 388634649 /nfs/dbraw/zinc/63/46/49/388634649.db2.gz VRERNHRQMRZOTQ-AGIUHOORSA-N 2 0 238.375 1.676 20 0 BDADRP Cc1ncc(C[NH2+][C@H]2CCCSC2)n1C ZINC000521900351 388640851 /nfs/dbraw/zinc/64/08/51/388640851.db2.gz KKRICUIMFAKHIW-JTQLQIEISA-N 2 0 225.361 1.714 20 0 BDADRP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H](C)COC)C1 ZINC000247185801 388659855 /nfs/dbraw/zinc/65/98/55/388659855.db2.gz BMYLVIBLLSEFOK-CHWSQXEVSA-N 2 0 228.380 1.685 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1cscn1 ZINC000124198136 388661250 /nfs/dbraw/zinc/66/12/50/388661250.db2.gz HRVZGNMDGYFDEX-PWSUYJOCSA-N 2 0 239.388 1.615 20 0 BDADRP C[NH+]1CCC(C[NH2+]CC2=CCCOC2)CC1 ZINC000124697514 388664884 /nfs/dbraw/zinc/66/48/84/388664884.db2.gz PYMPSVNXNVFKRR-UHFFFAOYSA-N 2 0 224.348 1.265 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@](C)([NH3+])CCC ZINC000262615217 135308484 /nfs/dbraw/zinc/30/84/84/135308484.db2.gz XWTKFGVSCOWVDX-ZYHUDNBSSA-N 2 0 229.368 1.138 20 0 BDADRP C[C@@H](C[NH+](C)C)N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227542942 388752445 /nfs/dbraw/zinc/75/24/45/388752445.db2.gz CAGDPJHWDCHYHU-ZLKJLUDKSA-N 2 0 233.359 1.671 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000126177199 388690221 /nfs/dbraw/zinc/69/02/21/388690221.db2.gz QMVCRHJAVNNVQL-GXTWGEPZSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@H](O)[C@H](C)[NH2+]CCCCC[NH+]1CCCC1 ZINC000564205500 388694903 /nfs/dbraw/zinc/69/49/03/388694903.db2.gz ZGJWNIYTXZQUJO-STQMWFEESA-N 2 0 228.380 1.611 20 0 BDADRP CC[C@@H](CO)[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000249082495 388707952 /nfs/dbraw/zinc/70/79/52/388707952.db2.gz DIQREXVGAWIWBR-NOOOWODRSA-N 2 0 214.353 1.076 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](O)C2)CC[N@@H+]1C ZINC000249114672 388709656 /nfs/dbraw/zinc/70/96/56/388709656.db2.gz RSXDMRQQRDXCFL-XQHKEYJVSA-N 2 0 226.364 1.220 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCOC[C@H]2C)C1 ZINC000249114645 388709900 /nfs/dbraw/zinc/70/99/00/388709900.db2.gz RULXVBHCVZSNAI-JHJVBQTASA-N 2 0 226.364 1.343 20 0 BDADRP CC[C@@H](CO)[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000249188099 388711173 /nfs/dbraw/zinc/71/11/73/388711173.db2.gz MAFHMEBIIJDDJF-WOPDTQHZSA-N 2 0 214.353 1.077 20 0 BDADRP C[N@H+](C[C@@H]1CCSC1)[C@@H]1CCC[NH2+]CC1 ZINC000226447312 388719386 /nfs/dbraw/zinc/71/93/86/388719386.db2.gz AULVOYLFWMYDLB-NWDGAFQWSA-N 2 0 228.405 1.813 20 0 BDADRP FC(F)OCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000194036749 388721404 /nfs/dbraw/zinc/72/14/04/388721404.db2.gz YKICSOKLRNBIDQ-MNOVXSKESA-N 2 0 248.317 1.832 20 0 BDADRP CC[C@H](O)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000253034672 388799670 /nfs/dbraw/zinc/79/96/70/388799670.db2.gz VTIFRUBFSBJSOY-WUHRBBMRSA-N 2 0 226.364 1.268 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H](C)[C@H]2CCOC2)CC1 ZINC000128582837 388773484 /nfs/dbraw/zinc/77/34/84/388773484.db2.gz JOTDWFFHVQGFMJ-OLZOCXBDSA-N 2 0 240.391 1.875 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CC=C(C)C ZINC000228856102 388776070 /nfs/dbraw/zinc/77/60/70/388776070.db2.gz SOXHSGAJWCPDPN-NSHDSACASA-N 2 0 200.326 1.296 20 0 BDADRP C[C@H]1C[C@@H](NCCC[NH+]2CCCC2)CC[N@@H+]1C ZINC000129810902 388871670 /nfs/dbraw/zinc/87/16/70/388871670.db2.gz JJAIQDMKPHJXOE-KBPBESRZSA-N 2 0 239.407 1.545 20 0 BDADRP C[C@@H]1C[C@H](NCCC[NH+]2CCCC2)CC[N@@H+]1C ZINC000129810253 388871711 /nfs/dbraw/zinc/87/17/11/388871711.db2.gz JJAIQDMKPHJXOE-ZIAGYGMSSA-N 2 0 239.407 1.545 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCCOCC2CC2)CC[N@@H+]1C ZINC000129821433 388872556 /nfs/dbraw/zinc/87/25/56/388872556.db2.gz OFSXUOFVNNYPLX-TZMCWYRMSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CCOCC1CCC1 ZINC000564826487 388891116 /nfs/dbraw/zinc/89/11/16/388891116.db2.gz OYTVSWFIGYATEV-LBPRGKRZSA-N 2 0 228.380 1.910 20 0 BDADRP CCN(C)C[C@@H](O)C[N@H+](C)[C@H]1CCC(C)(C)C1 ZINC000565166872 388920472 /nfs/dbraw/zinc/92/04/72/388920472.db2.gz VCGGDYGMGRQQPC-QWHCGFSZSA-N 2 0 242.407 1.810 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000565226404 388928476 /nfs/dbraw/zinc/92/84/76/388928476.db2.gz KUNMWKTYXSPHSW-BFHYXJOUSA-N 2 0 239.407 1.720 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000565226411 388928552 /nfs/dbraw/zinc/92/85/52/388928552.db2.gz KUNMWKTYXSPHSW-MELADBBJSA-N 2 0 239.407 1.720 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CC1(c2ccccn2)CCC1 ZINC000565533989 388950801 /nfs/dbraw/zinc/95/08/01/388950801.db2.gz XXLIQOHOBWPKLS-STQMWFEESA-N 2 0 245.370 1.973 20 0 BDADRP CC[C@@H](COC)[NH2+]CCC[NH2+]C(C)C ZINC000565827674 388971326 /nfs/dbraw/zinc/97/13/26/388971326.db2.gz XRTRIRUUHZYJQV-NSHDSACASA-N 2 0 202.342 1.389 20 0 BDADRP C[N@H+]1CC=C(C[NH2+]CC2=CCCOC2)CC1 ZINC000271890523 389026323 /nfs/dbraw/zinc/02/63/23/389026323.db2.gz OMENWLOSIQCZNA-UHFFFAOYSA-N 2 0 222.332 1.185 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@@]2(C)CCCO2)CC1 ZINC000087233126 535474585 /nfs/dbraw/zinc/47/45/85/535474585.db2.gz SRJRXLGFNWJPGC-CYBMUJFWSA-N 2 0 226.364 1.629 20 0 BDADRP C(COC1CCCC1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000168753138 533366295 /nfs/dbraw/zinc/36/62/95/533366295.db2.gz JGNPWVOURSJRHB-GFCCVEGCSA-N 2 0 226.364 1.677 20 0 BDADRP C([NH2+][C@@H]1CCC[NH2+]CC1)[C@@H]1CCCCO1 ZINC000168739763 533368777 /nfs/dbraw/zinc/36/87/77/533368777.db2.gz BDUVJRBPKKCHBC-NEPJUHHUSA-N 2 0 212.337 1.287 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)C1CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000400709342 533495954 /nfs/dbraw/zinc/49/59/54/533495954.db2.gz LWASCNCEWQBUGW-LOWVWBTDSA-N 2 0 226.364 1.532 20 0 BDADRP CSC1(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000400510599 533511206 /nfs/dbraw/zinc/51/12/06/533511206.db2.gz IXEGKMBURBQHKV-VHSXEESVSA-N 2 0 214.378 1.612 20 0 BDADRP CSCCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400494530 533572676 /nfs/dbraw/zinc/57/26/76/533572676.db2.gz HBWLCYPPVQEDRL-ZJUUUORDSA-N 2 0 202.367 1.470 20 0 BDADRP CC[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC000274347149 132202818 /nfs/dbraw/zinc/20/28/18/132202818.db2.gz JRDMUKRVLCOKEQ-UHFFFAOYSA-N 2 0 205.305 1.532 20 0 BDADRP Cc1c[nH+]ccc1N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000368450756 132283538 /nfs/dbraw/zinc/28/35/38/132283538.db2.gz SPJYAWHDVBNCRT-GXTWGEPZSA-N 2 0 231.343 1.920 20 0 BDADRP C[C@H](CO)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000035602156 132338549 /nfs/dbraw/zinc/33/85/49/132338549.db2.gz SBLDSPCSHFGSMJ-LLVKDONJSA-N 2 0 235.331 1.021 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CCOC1 ZINC000253114232 133653461 /nfs/dbraw/zinc/65/34/61/133653461.db2.gz FCWILICEEIRSOR-XDQVBPFNSA-N 2 0 240.391 1.766 20 0 BDADRP c1ccc(CC[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000168699334 134242722 /nfs/dbraw/zinc/24/27/22/134242722.db2.gz LGSDUXIOGIZAPE-CQSZACIVSA-N 2 0 218.344 1.961 20 0 BDADRP CS[C@H](C)C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000169077405 134249143 /nfs/dbraw/zinc/24/91/43/134249143.db2.gz HEDDJLBPEWILIN-BBBLOLIVSA-N 2 0 202.367 1.455 20 0 BDADRP CC[C@H](CO)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000169235186 134250107 /nfs/dbraw/zinc/25/01/07/134250107.db2.gz DTQVZKCLGPXXKM-ICCXJUOJSA-N 2 0 220.316 1.492 20 0 BDADRP CCC[C@H](O)C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000217736947 134250660 /nfs/dbraw/zinc/25/06/60/134250660.db2.gz JAVBHRHMNUEONP-GDLCADMTSA-N 2 0 234.343 1.882 20 0 BDADRP COc1ccc(C[NH2+][C@H](C)CC[NH3+])cc1F ZINC000220542164 134309530 /nfs/dbraw/zinc/30/95/30/134309530.db2.gz CRIKKLDJWFKIIR-SECBINFHSA-N 2 0 226.295 1.661 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC(C)(C)CCCO)CC[N@@H+]1C ZINC000221588401 134325372 /nfs/dbraw/zinc/32/53/72/134325372.db2.gz VBXRCEXIOIQSHG-CHWSQXEVSA-N 2 0 242.407 1.857 20 0 BDADRP CC[NH+]1CCC(NCCC[N@H+](C)C(C)C)CC1 ZINC000221924657 134326707 /nfs/dbraw/zinc/32/67/07/134326707.db2.gz YZTGXHQIKIDCIO-UHFFFAOYSA-N 3 0 241.423 1.791 20 0 BDADRP CCOC[C@H](C)[NH2+][C@H]1CCN2CCCC[C@@H]12 ZINC000222022229 134329071 /nfs/dbraw/zinc/32/90/71/134329071.db2.gz UKNTWFIVPHQNNZ-AVGNSLFASA-N 2 0 226.364 1.628 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC(C)(C)CCO ZINC000224388150 134346429 /nfs/dbraw/zinc/34/64/29/134346429.db2.gz UXMYIHMHGIMOHV-AGIUHOORSA-N 2 0 242.407 1.713 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H](O)C2(C)C)[C@H](C)C1 ZINC000183829990 134356485 /nfs/dbraw/zinc/35/64/85/134356485.db2.gz QXJYHZGGAVSNPG-LPWJVIDDSA-N 2 0 240.391 1.466 20 0 BDADRP C[C@H]1OCC[C@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000227497691 134381383 /nfs/dbraw/zinc/38/13/83/134381383.db2.gz FHQQTKQXARKCTA-VXGBXAGGSA-N 2 0 226.364 1.485 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCCOC2)CC1 ZINC000227495760 134381417 /nfs/dbraw/zinc/38/14/17/134381417.db2.gz KMXRIKDYJWLZQF-LBPRGKRZSA-N 2 0 226.364 1.487 20 0 BDADRP [NH3+]CCCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227538610 134382855 /nfs/dbraw/zinc/38/28/55/134382855.db2.gz IJELGDJMEFEGSI-NEPJUHHUSA-N 2 0 205.305 1.070 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@](C)(O)CC)CC1 ZINC000083461944 134418682 /nfs/dbraw/zinc/41/86/82/134418682.db2.gz JZAWLHWCWVYUEV-CYBMUJFWSA-N 2 0 228.380 1.611 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]Cc1cccc(C)c1 ZINC000234794909 134583760 /nfs/dbraw/zinc/58/37/60/134583760.db2.gz IZFITGZWJXSOGQ-AWEZNQCLSA-N 2 0 236.359 1.839 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)C1CC1 ZINC000234747691 134584928 /nfs/dbraw/zinc/58/49/28/134584928.db2.gz SWSAAIQLUDOABW-MWLCHTKSSA-N 2 0 200.326 1.128 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CC=CCC1 ZINC000234753646 134585071 /nfs/dbraw/zinc/58/50/71/134585071.db2.gz XSKRQHWZZUJDAI-VXGBXAGGSA-N 2 0 212.337 1.439 20 0 BDADRP CC(C)CC[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000236728218 134834652 /nfs/dbraw/zinc/83/46/52/134834652.db2.gz FQVIDTVFXQYNEK-CQSZACIVSA-N 2 0 242.407 1.715 20 0 BDADRP CO[C@H](C)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000248419144 135008470 /nfs/dbraw/zinc/00/84/70/135008470.db2.gz KWIKCIIRNFSLRB-ZIAGYGMSSA-N 2 0 240.391 1.972 20 0 BDADRP CCCCOCCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000229341083 135011663 /nfs/dbraw/zinc/01/16/63/135011663.db2.gz JUDBVFMRIZMLKY-QWHCGFSZSA-N 2 0 228.380 1.910 20 0 BDADRP C[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000248794321 135021786 /nfs/dbraw/zinc/02/17/86/135021786.db2.gz YNIJWNPZWLTDMU-OLZOCXBDSA-N 2 0 226.364 1.175 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000249132933 135034716 /nfs/dbraw/zinc/03/47/16/135034716.db2.gz MEBWZHRODJBBNR-UJPOAAIJSA-N 2 0 240.391 1.464 20 0 BDADRP CC[C@H](C)[C@H](C)[NH2+][C@@H](CCC[NH3+])COC ZINC000233999030 135037386 /nfs/dbraw/zinc/03/73/86/135037386.db2.gz SRURYULOBUJJCC-SRVKXCTJSA-N 2 0 216.369 1.765 20 0 BDADRP CC[N@H+](C)CCN[C@H]1CCCC[C@H]1C[NH3+] ZINC000250065473 135048236 /nfs/dbraw/zinc/04/82/36/135048236.db2.gz QDEIJOFPMLXHHU-RYUDHWBXSA-N 2 0 213.369 1.045 20 0 BDADRP CC[N@H+](C)CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250091024 135049836 /nfs/dbraw/zinc/04/98/36/135049836.db2.gz WTFLSUSSPXSQCJ-BFHYXJOUSA-N 2 0 239.407 1.448 20 0 BDADRP COCCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250459025 135055284 /nfs/dbraw/zinc/05/52/84/135055284.db2.gz KEBSFEDSDIKAQE-MGPQQGTHSA-N 2 0 240.391 1.923 20 0 BDADRP Cn1cc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000250628253 135057507 /nfs/dbraw/zinc/05/75/07/135057507.db2.gz ZMGNWTREFRXLQG-KGLIPLIRSA-N 2 0 248.374 1.179 20 0 BDADRP C([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCCCO1 ZINC000250856229 135057848 /nfs/dbraw/zinc/05/78/48/135057848.db2.gz PIMFVWPUJYBDPW-MELADBBJSA-N 2 0 238.375 1.772 20 0 BDADRP Cc1ncsc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000086404157 135083566 /nfs/dbraw/zinc/08/35/66/135083566.db2.gz JSGQWKDHEXOSAA-ZJUUUORDSA-N 2 0 225.361 1.811 20 0 BDADRP C[N@H+](CCOCC[NH3+])Cc1cccc(Cl)c1 ZINC000086435465 135084261 /nfs/dbraw/zinc/08/42/61/135084261.db2.gz YVZDAJYMUVEQBP-UHFFFAOYSA-N 2 0 242.750 1.747 20 0 BDADRP CCCCC[N@H+](CCOCC[NH3+])C(C)C ZINC000086435540 135084368 /nfs/dbraw/zinc/08/43/68/135084368.db2.gz YLCBRODOIAARPC-UHFFFAOYSA-N 2 0 216.369 1.862 20 0 BDADRP CC[C@H]1CCC[N@H+](CCOCC[NH3+])CC1 ZINC000086435838 135084889 /nfs/dbraw/zinc/08/48/89/135084889.db2.gz WDQGHVDFVYEUCJ-LBPRGKRZSA-N 2 0 214.353 1.474 20 0 BDADRP C[C@H](Cn1ccnc1)[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000252191055 135086979 /nfs/dbraw/zinc/08/69/79/135086979.db2.gz UYBNLMMLNRWGKD-UPJWGTAASA-N 3 0 236.363 1.344 20 0 BDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NCCC[NH3+] ZINC000086501012 135087229 /nfs/dbraw/zinc/08/72/29/135087229.db2.gz LNOBKBSHJOAXAE-VXGBXAGGSA-N 2 0 213.369 1.236 20 0 BDADRP COC[C@H](C)C[NH2+]C1CCC([NH3+])CC1 ZINC000086729616 135095174 /nfs/dbraw/zinc/09/51/74/135095174.db2.gz HLPLSKLSUNSNET-KPPDAEKUSA-N 2 0 200.326 1.128 20 0 BDADRP COC(C)(C)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252703248 135098074 /nfs/dbraw/zinc/09/80/74/135098074.db2.gz MDUIJXTUAGIJLC-NEPJUHHUSA-N 2 0 226.364 1.628 20 0 BDADRP CC[C@H](CCO)[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000252709088 135098102 /nfs/dbraw/zinc/09/81/02/135098102.db2.gz BYFRJQGZPSPSDW-YVECIDJPSA-N 2 0 228.380 1.466 20 0 BDADRP CS[C@H](C)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252730925 135104060 /nfs/dbraw/zinc/10/40/60/135104060.db2.gz NMKKRVILNCXHMV-UTUOFQBUSA-N 2 0 228.405 1.954 20 0 BDADRP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)on1 ZINC000252838390 135111538 /nfs/dbraw/zinc/11/15/38/135111538.db2.gz AIHQDCGVYRSLOW-WCFLWFBJSA-N 2 0 235.331 1.542 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(C)COC1 ZINC000087197227 135112383 /nfs/dbraw/zinc/11/23/83/135112383.db2.gz NOTFGIYFFXMXGK-GRYCIOLGSA-N 2 0 226.364 1.341 20 0 BDADRP COC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252849330 135112888 /nfs/dbraw/zinc/11/28/88/135112888.db2.gz HBOCQKPTLQONLS-FIQHERPVSA-N 2 0 212.337 1.081 20 0 BDADRP CC(C)C[N@H+](CCOCC[NH3+])C1CCCC1 ZINC000087286713 135119406 /nfs/dbraw/zinc/11/94/06/135119406.db2.gz YFKVULXKCDVWTM-UHFFFAOYSA-N 2 0 228.380 1.862 20 0 BDADRP C[NH2+][C@H](C)Cc1noc(C2CC[NH+](C)CC2)n1 ZINC000258049335 135132327 /nfs/dbraw/zinc/13/23/27/135132327.db2.gz OYWAJTXTVAWUOV-SECBINFHSA-N 2 0 238.335 1.029 20 0 BDADRP CN(C[C@@H]1CCC[NH2+]C1)C[C@H]1CCC[N@H+](C)C1 ZINC000258945229 135136214 /nfs/dbraw/zinc/13/62/14/135136214.db2.gz IEVYYTKYJDFZBR-KGLIPLIRSA-N 2 0 239.407 1.260 20 0 BDADRP c1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)ccn1 ZINC000257670557 135138770 /nfs/dbraw/zinc/13/87/70/135138770.db2.gz IHWDAIAKVKYHCM-UHFFFAOYSA-N 2 0 231.343 1.657 20 0 BDADRP C([C@@H]1CCSC1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257675208 135139362 /nfs/dbraw/zinc/13/93/62/135139362.db2.gz JNDIMTAKGWCTBL-LBPRGKRZSA-N 2 0 240.416 1.815 20 0 BDADRP C[NH2+]CCC[N@H+](C)CCc1cccnc1 ZINC000087472792 135142231 /nfs/dbraw/zinc/14/22/31/135142231.db2.gz IUGUPZZKICNDHC-UHFFFAOYSA-N 2 0 207.321 1.165 20 0 BDADRP C[NH2+]CCCN(C)[C@@H](C)c1ccccn1 ZINC000087472383 135143527 /nfs/dbraw/zinc/14/35/27/135143527.db2.gz UQZACCIBFOJNPV-NSHDSACASA-N 2 0 207.321 1.684 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](COC)C2CC2)C1 ZINC000087478941 135144090 /nfs/dbraw/zinc/14/40/90/135144090.db2.gz OEWDKMXAAWOSJK-AAEUAGOBSA-N 2 0 226.364 1.343 20 0 BDADRP COC[C@@H]([NH2+]C[C@H](C)N(C)C)C(C)C ZINC000087479234 135144152 /nfs/dbraw/zinc/14/41/52/135144152.db2.gz ZOEFQGFWVQNVEV-WDEREUQCSA-N 2 0 202.342 1.197 20 0 BDADRP C[N@H+](C[C@H]1CCSC1)[C@H]1CCC[NH2+]CC1 ZINC000261529469 135155489 /nfs/dbraw/zinc/15/54/89/135155489.db2.gz AULVOYLFWMYDLB-NEPJUHHUSA-N 2 0 228.405 1.813 20 0 BDADRP C([C@@H]1CCSC1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261531697 135160802 /nfs/dbraw/zinc/16/08/02/135160802.db2.gz HNCOLRYTGPZFEX-TUAOUCFPSA-N 2 0 226.389 1.423 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCC(F)(F)F ZINC000261532155 135162793 /nfs/dbraw/zinc/16/27/93/135162793.db2.gz JKWSPKVMBCJTKE-MRVPVSSYSA-N 2 0 224.270 1.917 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+]C[C@]2(C)CCCO2)CC[NH2+]1 ZINC000261532741 135163155 /nfs/dbraw/zinc/16/31/55/135163155.db2.gz DQUMXWBIEFFZFU-AGIUHOORSA-N 2 0 226.364 1.533 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](CC[C@H]2CCCCO2)C1 ZINC000261532740 135163176 /nfs/dbraw/zinc/16/31/76/135163176.db2.gz DMCQVHFLWACOOH-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@H]2CCCCO2)CC[C@@H]1[NH3+] ZINC000261534102 135166150 /nfs/dbraw/zinc/16/61/50/135166150.db2.gz NBDJCEAGCSTTJY-UPJWGTAASA-N 2 0 226.364 1.615 20 0 BDADRP C[C@@H]1CC[C@H](C)CN1Cc1noc(CN)n1 ZINC000261535438 135169471 /nfs/dbraw/zinc/16/94/71/135169471.db2.gz YWFMFUWJAXYETP-DTWKUNHWSA-N 2 0 224.308 1.149 20 0 BDADRP C[C@H]1CC[C@H](C)N(Cc2noc(CN)n2)C1 ZINC000261535439 135169524 /nfs/dbraw/zinc/16/95/24/135169524.db2.gz YWFMFUWJAXYETP-IUCAKERBSA-N 2 0 224.308 1.149 20 0 BDADRP CC1(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)CCC1 ZINC000261535665 135170626 /nfs/dbraw/zinc/17/06/26/135170626.db2.gz OYYUQVNZQXIDMZ-ZDUSSCGKSA-N 2 0 208.349 1.862 20 0 BDADRP C[C@H]1C[NH+](C[C@@H]2CC[NH2+][C@H](C)C2)C[C@@H]1C ZINC000261537170 135173761 /nfs/dbraw/zinc/17/37/61/135173761.db2.gz VBXVUKZKLBGDIC-WUHRBBMRSA-N 2 0 210.365 1.962 20 0 BDADRP CC(C)OCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261537853 135175071 /nfs/dbraw/zinc/17/50/71/135175071.db2.gz WLOKXUNHFYPQAR-SRVKXCTJSA-N 2 0 212.337 1.081 20 0 BDADRP C(C1CCCC1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261538079 135175295 /nfs/dbraw/zinc/17/52/95/135175295.db2.gz XJKWQILQZPZPGK-STQMWFEESA-N 2 0 208.349 1.860 20 0 BDADRP Cc1[nH+]ccc(N2CC[C@H]([NH3+])[C@H]2C)c1Cl ZINC000261538951 135177072 /nfs/dbraw/zinc/17/70/72/135177072.db2.gz ZZDPIXMTMIZUIY-BDAKNGLRSA-N 2 0 225.723 1.969 20 0 BDADRP c1ccc(CC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261540426 135179116 /nfs/dbraw/zinc/17/91/16/135179116.db2.gz ADFMASSMHUHMNF-CABCVRRESA-N 2 0 230.355 1.913 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+](C)C[C@H]2CC[NH+](C)C2)CC[NH2+]1 ZINC000261541889 135182076 /nfs/dbraw/zinc/18/20/76/135182076.db2.gz MACGMSFOEGFVPY-MCIONIFRSA-N 3 0 239.407 1.258 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@H](C)OC(C)(C)C2)CC[NH2+]1 ZINC000261542873 135183190 /nfs/dbraw/zinc/18/31/90/135183190.db2.gz QZMPJHMGKKFISC-FRRDWIJNSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@H](c1ccccn1)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261544354 135185116 /nfs/dbraw/zinc/18/51/16/135185116.db2.gz DTTFGHRVXBJJHE-XQHKEYJVSA-N 2 0 231.343 1.812 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@H](C2CC2)C1 ZINC000261544206 135185516 /nfs/dbraw/zinc/18/55/16/135185516.db2.gz IOYLIOOFQFWZFS-ZDUSSCGKSA-N 2 0 208.349 1.718 20 0 BDADRP COc1cccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000261550309 135189278 /nfs/dbraw/zinc/18/92/78/135189278.db2.gz LFBJQLYJVKDFGW-FZMZJTMJSA-N 2 0 234.343 1.783 20 0 BDADRP CC[N@H+](C)CCN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000084216724 135192635 /nfs/dbraw/zinc/19/26/35/135192635.db2.gz QDEIJOFPMLXHHU-NEPJUHHUSA-N 2 0 213.369 1.045 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1 ZINC000084217386 135193049 /nfs/dbraw/zinc/19/30/49/135193049.db2.gz YOKGSJPKNLAOBQ-QWHCGFSZSA-N 2 0 204.317 1.904 20 0 BDADRP CC(C)OCCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000084218302 135193253 /nfs/dbraw/zinc/19/32/53/135193253.db2.gz KXJORORWEYVVLU-NWDGAFQWSA-N 2 0 214.353 1.519 20 0 BDADRP CC(C)(C)CC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261554563 135194487 /nfs/dbraw/zinc/19/44/87/135194487.db2.gz OYOPGQGLPOBPMD-ZDUSSCGKSA-N 2 0 239.407 1.402 20 0 BDADRP Oc1cccc(CN2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261557184 135197561 /nfs/dbraw/zinc/19/75/61/135197561.db2.gz RMKGOUANGOQELV-CHWSQXEVSA-N 2 0 232.327 1.434 20 0 BDADRP C[C@@H]1CCSCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261557878 135198314 /nfs/dbraw/zinc/19/83/14/135198314.db2.gz XTXLFYRUZHDCGQ-NEPJUHHUSA-N 2 0 228.405 1.813 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@H]1C[NH3+])c1cnn(C)c1 ZINC000261562850 135204135 /nfs/dbraw/zinc/20/41/35/135204135.db2.gz BRAJMQZPUUOJON-NHCYSSNCSA-N 2 0 222.336 1.198 20 0 BDADRP Cc1cccnc1CN1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261563696 135205287 /nfs/dbraw/zinc/20/52/87/135205287.db2.gz XDSFVNQAFHQHOB-QWHCGFSZSA-N 2 0 231.343 1.431 20 0 BDADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cccnc3)C[C@@H]12 ZINC000261572819 135215343 /nfs/dbraw/zinc/21/53/43/135215343.db2.gz IIMMPEVUXFGDGF-YNEHKIRRSA-N 2 0 217.316 1.251 20 0 BDADRP COCC[NH2+]CCNc1cc[nH+]c(C)c1Cl ZINC000261575422 135216929 /nfs/dbraw/zinc/21/69/29/135216929.db2.gz JRKJNLGXZDBXMB-UHFFFAOYSA-N 2 0 243.738 1.691 20 0 BDADRP Cc1c[nH+]ccc1N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261578645 135219843 /nfs/dbraw/zinc/21/98/43/135219843.db2.gz LWRFDOADPFZJJK-VXGBXAGGSA-N 2 0 217.316 1.436 20 0 BDADRP Cc1cc(N2CC[C@H]3[NH2+]CC[C@H]3C2)cc[nH+]1 ZINC000261578854 135219882 /nfs/dbraw/zinc/21/98/82/135219882.db2.gz LWUNCMNMAZKSKD-WCQYABFASA-N 2 0 217.316 1.578 20 0 BDADRP Cc1nn(C)c(C)c1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261579701 135220451 /nfs/dbraw/zinc/22/04/51/135220451.db2.gz PQOGSUVXDXWWLJ-UBHSHLNASA-N 2 0 248.374 1.206 20 0 BDADRP C[N@H+](CCOCC[NH3+])C(C1CC1)C1CC1 ZINC000261580676 135221672 /nfs/dbraw/zinc/22/16/72/135221672.db2.gz NCCREKUPYIEZKF-UHFFFAOYSA-N 2 0 212.337 1.082 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000261587641 135228521 /nfs/dbraw/zinc/22/85/21/135228521.db2.gz RWLZTKUCEFFHQC-VOAKCMCISA-N 2 0 226.364 1.255 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(F)c1 ZINC000261589336 135230235 /nfs/dbraw/zinc/23/02/35/135230235.db2.gz TVFMTBRAUHDPEQ-MFKMUULPSA-N 2 0 222.307 1.913 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](CCOCC2CC2)C1 ZINC000261596813 135235613 /nfs/dbraw/zinc/23/56/13/135235613.db2.gz YXAAPUBXMKZEAF-LBPRGKRZSA-N 2 0 212.337 1.084 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC000261547457 135240418 /nfs/dbraw/zinc/24/04/18/135240418.db2.gz ICVYYPDXWJUJMP-STQMWFEESA-N 2 0 240.391 1.923 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CCOCC2(CCC2)C1 ZINC000261644318 135242895 /nfs/dbraw/zinc/24/28/95/135242895.db2.gz ANBBETVFQIPFCX-UHFFFAOYSA-N 2 0 238.375 1.489 20 0 BDADRP COCC1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000084386024 135244161 /nfs/dbraw/zinc/24/41/61/135244161.db2.gz TXHGLFCNUMHILR-LBPRGKRZSA-N 2 0 226.364 1.344 20 0 BDADRP C[NH2+]CC1CC[NH+](Cc2cccc(N)c2)CC1 ZINC000261623850 135244291 /nfs/dbraw/zinc/24/42/91/135244291.db2.gz CPBUJFCUKGJXOG-UHFFFAOYSA-N 2 0 233.359 1.700 20 0 BDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C[C@H](C)[NH3+] ZINC000261687883 135246120 /nfs/dbraw/zinc/24/61/20/135246120.db2.gz BVQRRPNTOGTXAX-NWDGAFQWSA-N 2 0 241.379 1.104 20 0 BDADRP Cc1ccncc1CN(C)C1CC[NH2+]CC1 ZINC000261780309 135252722 /nfs/dbraw/zinc/25/27/22/135252722.db2.gz FJZNCTYFFCSVIA-UHFFFAOYSA-N 2 0 219.332 1.574 20 0 BDADRP CC(C)[C@@H]1CN(C[C@H]2CCC[NH2+]C2)CCO1 ZINC000261797708 135253476 /nfs/dbraw/zinc/25/34/76/135253476.db2.gz GQNHUTZXLCIDQK-STQMWFEESA-N 2 0 226.364 1.343 20 0 BDADRP COC(=O)C(C)(C)CC[NH+]1CCC(C[NH3+])CC1 ZINC000261794383 135253509 /nfs/dbraw/zinc/25/35/09/135253509.db2.gz GKDGMYGBWPVWGY-UHFFFAOYSA-N 2 0 242.363 1.246 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@H+](CC[C@H]2CCOC2)C1 ZINC000261827444 135255996 /nfs/dbraw/zinc/25/59/96/135255996.db2.gz IVWQYMLMGCGOSX-QWHCGFSZSA-N 2 0 226.364 1.344 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000261827442 135256352 /nfs/dbraw/zinc/25/63/52/135256352.db2.gz IVWQYMLMGCGOSX-CHWSQXEVSA-N 2 0 226.364 1.344 20 0 BDADRP C[C@@H]([NH3+])C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000261828378 135256456 /nfs/dbraw/zinc/25/64/56/135256456.db2.gz NCCPUFZMEQEGNL-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP CC(C)([NH3+])CN1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261851296 135257352 /nfs/dbraw/zinc/25/73/52/135257352.db2.gz QEOXMJANHZCPKD-QWHCGFSZSA-N 2 0 233.359 1.150 20 0 BDADRP C[C@H]1CC[N@H+](C)CCN1C[C@]1(C)CC[NH2+]C1 ZINC000261900371 135261695 /nfs/dbraw/zinc/26/16/95/135261695.db2.gz VWJACXDCKHZOKI-QWHCGFSZSA-N 2 0 225.380 1.012 20 0 BDADRP C[C@H]1CC[N@H+](C)CCN1C[C@@]1(C)CC[NH2+]C1 ZINC000261900372 135261941 /nfs/dbraw/zinc/26/19/41/135261941.db2.gz VWJACXDCKHZOKI-STQMWFEESA-N 2 0 225.380 1.012 20 0 BDADRP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)[C@H](C)[C@@H](C)O1 ZINC000261921898 135263425 /nfs/dbraw/zinc/26/34/25/135263425.db2.gz KPMAJPRVFJVTON-IJLUTSLNSA-N 2 0 226.364 1.484 20 0 BDADRP CC[C@H](C)[N@@H+](CC(=O)OC)CC1CC[NH2+]CC1 ZINC000261935952 135264175 /nfs/dbraw/zinc/26/41/75/135264175.db2.gz MBZPEDNCGVSZDU-NSHDSACASA-N 2 0 242.363 1.260 20 0 BDADRP CCc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000079054198 135268057 /nfs/dbraw/zinc/26/80/57/135268057.db2.gz OWRLYXWUMORUJS-GASCZTMLSA-N 2 0 230.355 1.900 20 0 BDADRP C[C@H]1[C@H](C)[N@H+](CC2CC[NH2+]CC2)CCN1C ZINC000261975199 135268700 /nfs/dbraw/zinc/26/87/00/135268700.db2.gz QSIJKTDHNUASNU-RYUDHWBXSA-N 2 0 225.380 1.010 20 0 BDADRP COC[C@@H]1CCCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000262009410 135271976 /nfs/dbraw/zinc/27/19/76/135271976.db2.gz UZNGBRMZPFPEAL-CQSZACIVSA-N 2 0 240.391 1.735 20 0 BDADRP CCC[C@@]1(CO)CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000262016173 135272897 /nfs/dbraw/zinc/27/28/97/135272897.db2.gz VROLVXUSWOCYQJ-AWEZNQCLSA-N 2 0 240.391 1.613 20 0 BDADRP CC[C@]1(CO)CCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000262023500 135274303 /nfs/dbraw/zinc/27/43/03/135274303.db2.gz WLHBXXPUDYEHFO-CHWSQXEVSA-N 2 0 226.364 1.223 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000262048859 135275539 /nfs/dbraw/zinc/27/55/39/135275539.db2.gz ZJUJMLVBIQROOB-ZDUSSCGKSA-N 2 0 224.348 1.097 20 0 BDADRP C[C@]1(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)CC[NH2+]C1 ZINC000262042155 135275785 /nfs/dbraw/zinc/27/57/85/135275785.db2.gz PGVZXRZRNBGXBL-JSGCOSHPSA-N 2 0 248.374 1.589 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000262046566 135275919 /nfs/dbraw/zinc/27/59/19/135275919.db2.gz YZBGGKAOJAXBEZ-YNEHKIRRSA-N 2 0 226.364 1.472 20 0 BDADRP CC[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[NH2+]C[C@H]2O)C1 ZINC000262176357 135283672 /nfs/dbraw/zinc/28/36/72/135283672.db2.gz VZEHTXYUWAAMSS-FVCCEPFGSA-N 2 0 226.364 1.125 20 0 BDADRP CN(CC(C)(C)C[NH3+])C(=O)[C@H]([NH3+])c1ccccc1 ZINC000262407559 135295135 /nfs/dbraw/zinc/29/51/35/135295135.db2.gz BTQRMXZMOGDZJR-GFCCVEGCSA-N 2 0 249.358 1.130 20 0 BDADRP CCCC[C@@H]([NH3+])C(=O)NCC1(C)CC[NH2+]CC1 ZINC000342601914 135302261 /nfs/dbraw/zinc/30/22/61/135302261.db2.gz YJLOMFNYCZHTGB-LLVKDONJSA-N 2 0 241.379 1.010 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)NCC([NH3+])(CC)CC ZINC000262603434 135308107 /nfs/dbraw/zinc/30/81/07/135308107.db2.gz QWESZNWMAGJWJD-NSHDSACASA-N 2 0 229.368 1.138 20 0 BDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCC1(C)C ZINC000342725665 135315369 /nfs/dbraw/zinc/31/53/69/135315369.db2.gz GTWXCUCYEKWHIC-OLZOCXBDSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@H]([NH3+])CCC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000262892750 135323051 /nfs/dbraw/zinc/32/30/51/135323051.db2.gz XAJDAAFDFAAHLM-JQWIXIFHSA-N 2 0 241.379 1.138 20 0 BDADRP CC1(C)CN(CC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000263022783 135327431 /nfs/dbraw/zinc/32/74/31/135327431.db2.gz QZPUUAUQROMHCE-UHFFFAOYSA-N 2 0 247.386 1.542 20 0 BDADRP C[C@H]1CSC[C@H]1[NH2+]C1CCN(C)CC1 ZINC000306367317 135372623 /nfs/dbraw/zinc/37/26/23/135372623.db2.gz BRTVYMIGMKUFFW-GXSJLCMTSA-N 2 0 214.378 1.422 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H](C)C[C@H](C)O)CC1 ZINC000164516523 135387258 /nfs/dbraw/zinc/38/72/58/135387258.db2.gz JCEZDKJIAJBBDQ-NEPJUHHUSA-N 2 0 228.380 1.610 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H](C)C[C@H](C)O)CC1 ZINC000164516406 135387557 /nfs/dbraw/zinc/38/75/57/135387557.db2.gz JCEZDKJIAJBBDQ-RYUDHWBXSA-N 2 0 228.380 1.610 20 0 BDADRP C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000086494449 135492830 /nfs/dbraw/zinc/49/28/30/135492830.db2.gz QNPRAFJMGYZFPL-LBELIVKGSA-N 2 0 208.349 1.905 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCOc1ccccc1 ZINC000089150412 135532531 /nfs/dbraw/zinc/53/25/31/135532531.db2.gz VRILFIQDNLBHEP-OCCSQVGLSA-N 2 0 234.343 1.782 20 0 BDADRP C(C[N@@H+]1CC[C@]2(CCOC2)C1)[C@H]1CC[NH2+]C1 ZINC000334783901 135811976 /nfs/dbraw/zinc/81/19/76/135811976.db2.gz DMSPJYNOFPQBCC-OLZOCXBDSA-N 2 0 224.348 1.098 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C1CC(F)(F)C1 ZINC000335008203 135864745 /nfs/dbraw/zinc/86/47/45/135864745.db2.gz IIRNXYNUYZDRLZ-WCBMZHEXSA-N 2 0 218.291 1.891 20 0 BDADRP Cn1ccnc1CN1CCC(c2ncc[nH]2)CC1 ZINC000335312148 136030282 /nfs/dbraw/zinc/03/02/82/136030282.db2.gz CSSWDPAFZQHJHA-UHFFFAOYSA-N 2 0 245.330 1.523 20 0 BDADRP C[C@@H]1C[N@@H+](C2CCC(C[NH3+])CC2)C[C@@]1(C)C[NH3+] ZINC000335348201 136067526 /nfs/dbraw/zinc/06/75/26/136067526.db2.gz DLOONKNKZZRPIG-BLYZHGLHSA-N 3 0 239.407 1.421 20 0 BDADRP CN(CC[C@@H]1CCC[N@@H+]1C)Cc1ccnn1C ZINC000348371790 136073614 /nfs/dbraw/zinc/07/36/14/136073614.db2.gz XNHARHLWBPKXNG-LBPRGKRZSA-N 2 0 236.363 1.336 20 0 BDADRP c1ccc2c(c1)CC[C@H]([NH2+]CC1C[NH2+]C1)C2 ZINC000335551580 136098113 /nfs/dbraw/zinc/09/81/13/136098113.db2.gz JUQVGENKFYPXFH-AWEZNQCLSA-N 2 0 216.328 1.353 20 0 BDADRP Clc1ccc2c(c1)C[C@H]([NH2+]CC1C[NH2+]C1)C2 ZINC000335553430 136098950 /nfs/dbraw/zinc/09/89/50/136098950.db2.gz WAMISJZVLZAGPO-CYBMUJFWSA-N 2 0 236.746 1.616 20 0 BDADRP CC1(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])CC[NH2+]CC1 ZINC000335567219 136107722 /nfs/dbraw/zinc/10/77/22/136107722.db2.gz DUIIJKAFIHLXCX-STQMWFEESA-N 3 0 239.407 1.626 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+]CC2(COC)CCC2)C1 ZINC000380230090 397832995 /nfs/dbraw/zinc/83/29/95/397832995.db2.gz XXPUHSJCQPQSLO-CYBMUJFWSA-N 2 0 240.391 1.735 20 0 BDADRP CC[C@H](C[NH2+][C@H]1CN(C2CC2)C[C@H]1C)OC ZINC000310000142 397873710 /nfs/dbraw/zinc/87/37/10/397873710.db2.gz DNKROUVBWPMMAV-RTXFEEFZSA-N 2 0 226.364 1.484 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CSC[C@H]1C ZINC000449078312 397951571 /nfs/dbraw/zinc/95/15/71/397951571.db2.gz LVYSGETTXODVEH-VXGBXAGGSA-N 2 0 246.420 1.296 20 0 BDADRP [NH3+]C1(C[NH2+]C(C2CC2)C2CC2)CCOCC1 ZINC000149788855 397912252 /nfs/dbraw/zinc/91/22/52/397912252.db2.gz DPOMOGZUJBGNAT-UHFFFAOYSA-N 2 0 224.348 1.273 20 0 BDADRP [NH3+][C@H]1C[C@H](NC[C@@H]2C[C@H](F)C[NH2+]2)c2ccccc21 ZINC000643538211 397919955 /nfs/dbraw/zinc/91/99/55/397919955.db2.gz BOMSYCBCOSAPIN-NUZBWSBOSA-N 2 0 249.333 1.421 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CN1CC[NH+](C2CCC2)CC1 ZINC000649530951 397922140 /nfs/dbraw/zinc/92/21/40/397922140.db2.gz QHMSCMQXJZSLRS-CQSZACIVSA-N 2 0 237.391 1.251 20 0 BDADRP CC[NH2+]CCCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000564822252 398044870 /nfs/dbraw/zinc/04/48/70/398044870.db2.gz KAMYKRSIBONFCE-KBPBESRZSA-N 2 0 233.359 1.720 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414824289 398045740 /nfs/dbraw/zinc/04/57/40/398045740.db2.gz QPMOQCDKLPMOLG-RQJABVFESA-N 2 0 239.407 1.495 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2CCC[C@@H]21 ZINC000383179184 398009896 /nfs/dbraw/zinc/00/98/96/398009896.db2.gz JLMVAPSKXCBWIW-IHRRRGAJSA-N 2 0 240.391 1.562 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@H]2CCC[C@@H]21 ZINC000383179189 398010065 /nfs/dbraw/zinc/01/00/65/398010065.db2.gz JLMVAPSKXCBWIW-RDBSUJKOSA-N 2 0 240.391 1.562 20 0 BDADRP [NH3+]CCC[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000414705538 398021146 /nfs/dbraw/zinc/02/11/46/398021146.db2.gz KMGFRADJNYXWSU-NSHDSACASA-N 2 0 249.362 1.210 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](C)O[C@H]2C)[C@@H](C)C1 ZINC000649700275 398047978 /nfs/dbraw/zinc/04/79/78/398047978.db2.gz DZEUWCRBPCAUSY-HTVCTNPSSA-N 2 0 240.391 1.872 20 0 BDADRP Cn1ccc(CN2CCn3cncc3C2)c1 ZINC000291582087 398096488 /nfs/dbraw/zinc/09/64/88/398096488.db2.gz OZVFPPDAGPETDT-UHFFFAOYSA-N 2 0 216.288 1.237 20 0 BDADRP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CC[NH2+]2)cc1 ZINC000384814197 398107781 /nfs/dbraw/zinc/10/77/81/398107781.db2.gz JFJZXGWOXCCBDP-GFCCVEGCSA-N 2 0 233.315 1.049 20 0 BDADRP C[NH2+]CCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062034025 398110536 /nfs/dbraw/zinc/11/05/36/398110536.db2.gz VFLGQTLTEVLOFD-UHFFFAOYSA-N 3 0 239.407 1.404 20 0 BDADRP C[N@H+](C[C@@H]1CCOc2ccccc21)C1CC([NH3+])C1 ZINC000384849611 398111915 /nfs/dbraw/zinc/11/19/15/398111915.db2.gz BGKORUHYPVVYAI-HIFPTAJRSA-N 2 0 246.354 1.974 20 0 BDADRP [NH3+]Cc1ccc(NC2CCC([NH3+])CC2)cc1 ZINC000334872177 398113201 /nfs/dbraw/zinc/11/32/01/398113201.db2.gz AEHWYIUMDLCODN-UHFFFAOYSA-N 2 0 219.332 1.827 20 0 BDADRP C[C@@H](CCO)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623436379 398130272 /nfs/dbraw/zinc/13/02/72/398130272.db2.gz PGPQDISKVNFHKQ-RYUDHWBXSA-N 2 0 228.380 1.467 20 0 BDADRP CCOc1ccc(C[NH2+]C[C@H](C)C[NH3+])cc1F ZINC000258726765 322876833 /nfs/dbraw/zinc/87/68/33/322876833.db2.gz JNDGBWSUXNAHOO-SNVBAGLBSA-N 2 0 240.322 1.909 20 0 BDADRP Cc1ccc(C)c(C[NH2+]C[C@@H](C)C[NH3+])c1 ZINC000258760868 322877135 /nfs/dbraw/zinc/87/71/35/322877135.db2.gz NCEGJIDBQHWNDS-NSHDSACASA-N 2 0 206.333 1.988 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)[C@H](C)C1 ZINC000393734088 487579189 /nfs/dbraw/zinc/57/91/89/487579189.db2.gz ADGDNNDJXJZZFX-XQQFMLRXSA-N 2 0 228.380 1.275 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)CS1 ZINC000086935748 487586076 /nfs/dbraw/zinc/58/60/76/487586076.db2.gz COIWEMMBKHNNMU-GHMZBOCLSA-N 2 0 216.394 1.812 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](CC)C2)CCO1 ZINC000070356916 487589996 /nfs/dbraw/zinc/58/99/96/487589996.db2.gz OZQWIKWLHYHXBE-BFHYXJOUSA-N 2 0 240.391 1.875 20 0 BDADRP CC[N@H+](CCc1cncn1C)C[C@@H](C)OC ZINC000297659038 487603608 /nfs/dbraw/zinc/60/36/08/487603608.db2.gz NRJUCPYBAJWPKK-LLVKDONJSA-N 2 0 225.336 1.319 20 0 BDADRP C[NH2+]CC1CC[NH+](Cc2snnc2C)CC1 ZINC000309761781 487609023 /nfs/dbraw/zinc/60/90/23/487609023.db2.gz MTGOKYVFSNJYFQ-UHFFFAOYSA-N 2 0 240.376 1.278 20 0 BDADRP CO[C@@H](C[NH2+][C@](C)(C[NH3+])C1CC1)C1CCCC1 ZINC000662248194 409545052 /nfs/dbraw/zinc/54/50/52/409545052.db2.gz VXHPBLBJYRLEIC-UONOGXRCSA-N 2 0 240.391 1.909 20 0 BDADRP OCC1([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC[NH2+]CC1 ZINC000662284402 409614519 /nfs/dbraw/zinc/61/45/19/409614519.db2.gz MWRKITSOKZVSKY-UPJWGTAASA-N 2 0 238.375 1.127 20 0 BDADRP CC[C@H]([NH2+]C)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000662342982 409657167 /nfs/dbraw/zinc/65/71/67/409657167.db2.gz HIVRNSHKTFZWML-LBPRGKRZSA-N 2 0 243.395 1.219 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)[C@H](C)C1 ZINC000178313332 487610309 /nfs/dbraw/zinc/61/03/09/487610309.db2.gz KNJSFKDHHQYPPF-RGDJUOJXSA-N 2 0 238.375 1.626 20 0 BDADRP CN(CC(C)(C)[NH3+])C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000662605969 409780878 /nfs/dbraw/zinc/78/08/78/409780878.db2.gz VSDDXCRPHUJMCP-LBPRGKRZSA-N 2 0 249.358 1.272 20 0 BDADRP C[C@@H](CCNC(=O)[C@@H]([NH3+])c1ccccc1)[NH+](C)C ZINC000662636579 409807055 /nfs/dbraw/zinc/80/70/55/409807055.db2.gz ZJOVPYZLIYMBBH-AAEUAGOBSA-N 2 0 249.358 1.143 20 0 BDADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC1CCC1)C2 ZINC000308818061 409905287 /nfs/dbraw/zinc/90/52/87/409905287.db2.gz BNCWYDPRARZRJS-STQMWFEESA-N 2 0 208.349 1.847 20 0 BDADRP CC(C)n1nccc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000414910557 487614024 /nfs/dbraw/zinc/61/40/24/487614024.db2.gz DDAUKRAPCFYQBP-RYUDHWBXSA-N 2 0 236.363 1.824 20 0 BDADRP C[NH2+][C@@H](C)C(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000655446385 410268617 /nfs/dbraw/zinc/26/86/17/410268617.db2.gz QTZIYRWZQYHGNW-LBPRGKRZSA-N 2 0 249.358 1.189 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000663495986 410274758 /nfs/dbraw/zinc/27/47/58/410274758.db2.gz BSVLWXWSSQGXBS-IUODEOHRSA-N 3 0 247.386 1.481 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000663501604 410277776 /nfs/dbraw/zinc/27/77/76/410277776.db2.gz ABGLBLSBAJOEGJ-RWMBFGLXSA-N 2 0 227.396 1.480 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+]C1CCC(C[NH3+])CC1 ZINC000663502625 410278651 /nfs/dbraw/zinc/27/86/51/410278651.db2.gz JCCQPTQVXIBCLB-WXRRBKDZSA-N 3 0 227.396 1.467 20 0 BDADRP CCC[NH+]1CCC(N[C@H](C)C[NH2+]C)CC1 ZINC000663514733 410284834 /nfs/dbraw/zinc/28/48/34/410284834.db2.gz SKMVJDNQHNZPOC-LLVKDONJSA-N 2 0 213.369 1.058 20 0 BDADRP C[C@@]1(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC[NH2+]C1 ZINC000650709722 410339188 /nfs/dbraw/zinc/33/91/88/410339188.db2.gz NVMDTCJVAXSAEX-MJBXVCDLSA-N 3 0 237.391 1.047 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650718109 410355542 /nfs/dbraw/zinc/35/55/42/410355542.db2.gz YFZMDOMMAINWMC-ZANVPECISA-N 2 0 238.306 1.551 20 0 BDADRP [NH3+]CC1(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000650713992 410344281 /nfs/dbraw/zinc/34/42/81/410344281.db2.gz MGWJMBRCHUOLKQ-RWMBFGLXSA-N 3 0 237.391 1.093 20 0 BDADRP COC[C@H](CC(C)C)[NH2+]CCC1(C[NH3+])CC1 ZINC000650714120 410347852 /nfs/dbraw/zinc/34/78/52/410347852.db2.gz SEPAUNSJYDCYGE-LBPRGKRZSA-N 2 0 228.380 1.766 20 0 BDADRP c1ccc2c(c1)C[C@H]([NH2+]C1CC[NH2+]CC1)CN2 ZINC000650715252 410347915 /nfs/dbraw/zinc/34/79/15/410347915.db2.gz VZMXVQDCBXVAKO-ZDUSSCGKSA-N 2 0 231.343 1.365 20 0 BDADRP COC[C@@H](CC(C)C)[NH2+]CCC1(C[NH3+])CC1 ZINC000650714119 410348550 /nfs/dbraw/zinc/34/85/50/410348550.db2.gz SEPAUNSJYDCYGE-GFCCVEGCSA-N 2 0 228.380 1.766 20 0 BDADRP CC(C)([NH3+])C[NH2+][C@@H]1CNc2ccccc2C1 ZINC000650715805 410349318 /nfs/dbraw/zinc/34/93/18/410349318.db2.gz KPUISCWAQOHPKU-NSHDSACASA-N 2 0 219.332 1.350 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+]CCC2(C[NH3+])CC2)CCO1 ZINC000650713404 410350078 /nfs/dbraw/zinc/35/00/78/410350078.db2.gz RVYXYYCEPIZYQF-OLZOCXBDSA-N 2 0 240.391 1.909 20 0 BDADRP c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)CN2 ZINC000650715172 410351372 /nfs/dbraw/zinc/35/13/72/410351372.db2.gz SLZQPIDISWNZEP-KGLIPLIRSA-N 2 0 245.370 1.755 20 0 BDADRP CC[C@@H](COC)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650717406 410353270 /nfs/dbraw/zinc/35/32/70/410353270.db2.gz ZNBJGVMDSNUANP-LBPRGKRZSA-N 2 0 240.322 1.799 20 0 BDADRP c1ccc2c(c1)C[C@@H]([NH2+]CC1CC[NH2+]CC1)CN2 ZINC000650716323 410353394 /nfs/dbraw/zinc/35/33/94/410353394.db2.gz XPYHNWGBSDNIDF-CQSZACIVSA-N 2 0 245.370 1.612 20 0 BDADRP CC(C)([NH3+])CCC(=O)NCCC1CC[NH2+]CC1 ZINC000653266817 410308853 /nfs/dbraw/zinc/30/88/53/410308853.db2.gz FZGCEOYPHNZCBN-UHFFFAOYSA-N 2 0 241.379 1.010 20 0 BDADRP Cc1c[nH]nc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000650722420 410359247 /nfs/dbraw/zinc/35/92/47/410359247.db2.gz SKEGSUGQGIZJLG-UHFFFAOYSA-N 2 0 222.336 1.279 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+]CC[C@@H]1CCOC1 ZINC000650720666 410360051 /nfs/dbraw/zinc/36/00/51/410360051.db2.gz XQOHWPAWHLJUEJ-CYBMUJFWSA-N 2 0 248.370 1.922 20 0 BDADRP CC(C)C[N@H+](C)CCCN[C@H]1CCC[C@H]1C[NH3+] ZINC000650739826 410372746 /nfs/dbraw/zinc/37/27/46/410372746.db2.gz AAHTXQZDZMUMGM-KBPBESRZSA-N 2 0 241.423 1.681 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000650742955 410378730 /nfs/dbraw/zinc/37/87/30/410378730.db2.gz JADGOAOMJBMBCS-MJDLHHQISA-N 2 0 210.321 1.023 20 0 BDADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1cnccn1 ZINC000650744028 410379692 /nfs/dbraw/zinc/37/96/92/410379692.db2.gz DRJDAKPECRYXSJ-SNVBAGLBSA-N 2 0 220.320 1.256 20 0 BDADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)[C@@H]1CCOC1 ZINC000650744416 410381133 /nfs/dbraw/zinc/38/11/33/410381133.db2.gz NMNSPFMAZMNFIZ-GHMZBOCLSA-N 2 0 212.337 1.130 20 0 BDADRP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650746170 410383399 /nfs/dbraw/zinc/38/33/99/410383399.db2.gz XQDSNHYYVZSJIL-WCQYABFASA-N 2 0 237.391 1.188 20 0 BDADRP [NH3+]CC1(CC[NH2+]C2CCC(O)CC2)CC1 ZINC000650746769 410384379 /nfs/dbraw/zinc/38/43/79/410384379.db2.gz KTVDHHRPMTWAGG-UHFFFAOYSA-N 2 0 212.337 1.009 20 0 BDADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)[C@H]1CCCO1 ZINC000650746858 410385852 /nfs/dbraw/zinc/38/58/52/410385852.db2.gz MKXQDDNSMHTYGH-GHMZBOCLSA-N 2 0 212.337 1.273 20 0 BDADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)[C@@H]1CCCC[NH2+]1 ZINC000650747711 410387137 /nfs/dbraw/zinc/38/71/37/410387137.db2.gz GDLIMMRQFMZSLK-RYUDHWBXSA-N 3 0 225.380 1.236 20 0 BDADRP C[C@H]1COCC[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650761685 410409476 /nfs/dbraw/zinc/40/94/76/410409476.db2.gz HWKZNTLVAHJIHI-AAEUAGOBSA-N 2 0 226.364 1.391 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650761553 410410461 /nfs/dbraw/zinc/41/04/61/410410461.db2.gz CCTNHXWCBYNPSN-UONOGXRCSA-N 3 0 239.407 1.626 20 0 BDADRP CC[C@@H](COC)[NH2+]CCC1CC[NH2+]CC1 ZINC000650763722 410413970 /nfs/dbraw/zinc/41/39/70/410413970.db2.gz HWHVILINCRLYPD-LBPRGKRZSA-N 2 0 214.353 1.391 20 0 BDADRP CCC[N@H+](C)CC(C)(C)NC(=O)CC[C@H](C)[NH3+] ZINC000664718691 410620586 /nfs/dbraw/zinc/62/05/86/410620586.db2.gz IBSCLBBVPCTNTH-NSHDSACASA-N 2 0 243.395 1.350 20 0 BDADRP CO[C@H](C[NH2+]CC1CC[NH+](C)CC1)C1CC1 ZINC000393494941 410704347 /nfs/dbraw/zinc/70/43/47/410704347.db2.gz PBOBMEVZHBBQDS-CYBMUJFWSA-N 2 0 226.364 1.343 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2([NH3+])CCCC2)[C@H](C)O1 ZINC000665246269 410729146 /nfs/dbraw/zinc/72/91/46/410729146.db2.gz AKKRYKHEFRCVEL-VWYCJHECSA-N 2 0 212.337 1.413 20 0 BDADRP CO[C@@H](C)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000665244494 410729722 /nfs/dbraw/zinc/72/97/22/410729722.db2.gz OYWQAZLMGWDNNL-WUHRBBMRSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1c(C2CC2)cnn1C ZINC000665264487 410739055 /nfs/dbraw/zinc/73/90/55/410739055.db2.gz ABJFEADGRCDRDM-VHSXEESVSA-N 2 0 236.363 1.513 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@H](C)C[C@@H](C)[NH3+])C1 ZINC000665273840 410743797 /nfs/dbraw/zinc/74/37/97/410743797.db2.gz FLIVTRNSRDDYQT-UTUOFQBUSA-N 2 0 213.369 1.186 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCCO1)[C@@H]1CCCC[NH2+]1 ZINC000395113259 410837903 /nfs/dbraw/zinc/83/79/03/410837903.db2.gz BOBQNOIPWIPAHO-XQQFMLRXSA-N 2 0 226.364 1.676 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCCCN1)C1CC[NH+](C)CC1 ZINC000396452294 410882771 /nfs/dbraw/zinc/88/27/71/410882771.db2.gz VPMJKHZLSSISNS-OCCSQVGLSA-N 2 0 239.407 1.448 20 0 BDADRP CC(C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000120646649 167120662 /nfs/dbraw/zinc/12/06/62/167120662.db2.gz CWTQSPRSZMXSTP-HNNXBMFYSA-N 2 0 248.370 1.751 20 0 BDADRP CC[NH2+]CCC[NH2+][C@@H](COC)C1CC1 ZINC000397944123 410939202 /nfs/dbraw/zinc/93/92/02/410939202.db2.gz HWFSWMOTPNAOEC-NSHDSACASA-N 2 0 200.326 1.001 20 0 BDADRP Cc1cnccc1CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000397549060 410925943 /nfs/dbraw/zinc/92/59/43/410925943.db2.gz YURMLEVCLOVTBB-OKILXGFUSA-N 2 0 231.343 1.084 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400936032 411163515 /nfs/dbraw/zinc/16/35/15/411163515.db2.gz ATIREPFPZLTZHH-SYQHCUMBSA-N 2 0 240.391 1.515 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400936027 411163821 /nfs/dbraw/zinc/16/38/21/411163821.db2.gz ATIREPFPZLTZHH-FQUUOJAGSA-N 2 0 240.391 1.515 20 0 BDADRP c1coc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000400940077 411164239 /nfs/dbraw/zinc/16/42/39/411164239.db2.gz AVMLIRIVJZJOFN-SDDRHHMPSA-N 2 0 220.316 1.757 20 0 BDADRP [NH3+][C@@H]1CCN(CCc2noc3ccccc32)C1 ZINC000655937127 411159369 /nfs/dbraw/zinc/15/93/69/411159369.db2.gz UEVLTHZCZLRPGD-SNVBAGLBSA-N 2 0 231.299 1.403 20 0 BDADRP C[C@H]([NH3+])CN1CCC[C@@H](OC2CCC2)C1 ZINC000655946026 411161232 /nfs/dbraw/zinc/16/12/32/411161232.db2.gz JRYZNXPCKWYDPB-CMPLNLGQSA-N 2 0 212.337 1.367 20 0 BDADRP C[C@@H](O)C[N@H+](CCCC1CC[NH2+]CC1)C1CC1 ZINC000655948937 411161315 /nfs/dbraw/zinc/16/13/15/411161315.db2.gz INOPXPGNUPTHDH-GFCCVEGCSA-N 2 0 240.391 1.611 20 0 BDADRP c1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000400993090 411168341 /nfs/dbraw/zinc/16/83/41/411168341.db2.gz ARWSOYOQYPIGQQ-UMVBOHGHSA-N 2 0 245.370 1.602 20 0 BDADRP C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401028682 411173553 /nfs/dbraw/zinc/17/35/53/411173553.db2.gz KKLQDNQWIYKBJE-VEGXAWMVSA-N 2 0 240.416 1.716 20 0 BDADRP c1cn(CCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000401048999 411174398 /nfs/dbraw/zinc/17/43/98/411174398.db2.gz XIXFPBOPCPQTHE-BFHYXJOUSA-N 2 0 248.374 1.251 20 0 BDADRP Cc1noc(C)c1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401045932 411174884 /nfs/dbraw/zinc/17/48/84/411174884.db2.gz VUEMTXUTDOZVOU-FRRDWIJNSA-N 2 0 249.358 1.769 20 0 BDADRP CO[C@@H](C)[C@@H](C)[NH2+]CCC[N@H+](C)CC(C)C ZINC000652222109 411175452 /nfs/dbraw/zinc/17/54/52/411175452.db2.gz FVVNBDAJHKZTAS-OLZOCXBDSA-N 2 0 230.396 1.977 20 0 BDADRP C(C[C@@H]1CCOC1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401072265 411176478 /nfs/dbraw/zinc/17/64/78/411176478.db2.gz BJSRHICKVFQIAR-XJFOESAGSA-N 2 0 238.375 1.391 20 0 BDADRP COCCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401080262 411176719 /nfs/dbraw/zinc/17/67/19/411176719.db2.gz QZEKYWUXGYGNHB-JHJVBQTASA-N 2 0 226.364 1.391 20 0 BDADRP C1[NH2+]C[C@H]2C[C@H]([NH2+][C@@H]3CCCOCC3)CC[C@@H]12 ZINC000401150855 411177803 /nfs/dbraw/zinc/17/78/03/411177803.db2.gz PJOODABQXWQOSJ-REWJHTLYSA-N 2 0 238.375 1.533 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(C2CC2)CC1 ZINC000653694426 411185747 /nfs/dbraw/zinc/18/57/47/411185747.db2.gz DTJUBMBJKGMTOB-AWEZNQCLSA-N 2 0 240.391 1.421 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000656192621 411198769 /nfs/dbraw/zinc/19/87/69/411198769.db2.gz MCCCPNQIFGCSFY-PNKOWGENSA-N 2 0 223.364 1.129 20 0 BDADRP COC1([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)CCC1 ZINC000658018232 411198943 /nfs/dbraw/zinc/19/89/43/411198943.db2.gz PLLRCOGCXLWURJ-NEPJUHHUSA-N 2 0 228.380 1.731 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000656193172 411199498 /nfs/dbraw/zinc/19/94/98/411199498.db2.gz WMLWPNDCSVZRLX-WYUUTHIRSA-N 2 0 211.353 1.116 20 0 BDADRP COC[C@H](CC(C)(C)C)[NH2+]C1CC[NH2+]CC1 ZINC000656193316 411200789 /nfs/dbraw/zinc/20/07/89/411200789.db2.gz GBELYIAEFFGQGU-LBPRGKRZSA-N 2 0 228.380 1.779 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CCCC[C@@H]1O ZINC000656197083 411201461 /nfs/dbraw/zinc/20/14/61/411201461.db2.gz BJJZEPDHGASUPG-RFQIPJPRSA-N 2 0 240.391 1.787 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000656198619 411202828 /nfs/dbraw/zinc/20/28/28/411202828.db2.gz AFTRIPVQOWEOOZ-FRRDWIJNSA-N 2 0 227.396 1.576 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CC2(CO)CCC2)C1 ZINC000656198436 411203111 /nfs/dbraw/zinc/20/31/11/411203111.db2.gz VOQWKGCNKIUMJA-QWRGUYRKSA-N 2 0 212.337 1.009 20 0 BDADRP Cc1occc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000656198113 411203149 /nfs/dbraw/zinc/20/31/49/411203149.db2.gz DYRLMLDKUOTEBQ-NWDGAFQWSA-N 2 0 208.305 1.948 20 0 BDADRP CCC[N@@H+]1CC[C@H](CN[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000656198200 411203190 /nfs/dbraw/zinc/20/31/90/411203190.db2.gz MOSHYDYODLHDLB-MCIONIFRSA-N 2 0 239.407 1.578 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H](CO)CC2)C1 ZINC000656198156 411203249 /nfs/dbraw/zinc/20/32/49/411203249.db2.gz HUNOTZJMADKSIZ-RVMXOQNASA-N 2 0 226.364 1.397 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]1CCC[NH2+]1 ZINC000656200087 411204745 /nfs/dbraw/zinc/20/47/45/411204745.db2.gz JKLPVUFXWGAHQJ-WUHRBBMRSA-N 3 0 225.380 1.057 20 0 BDADRP CCC[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652345366 411209244 /nfs/dbraw/zinc/20/92/44/411209244.db2.gz ANFGABXSIWROHG-AVGNSLFASA-N 2 0 226.364 1.615 20 0 BDADRP CCO[C@@H]1C[N@H+](Cc2cccc(N)c2)C[C@H]1C[NH3+] ZINC000652356443 411215541 /nfs/dbraw/zinc/21/55/41/411215541.db2.gz JVFMZCQPVJBWKJ-TZMCWYRMSA-N 2 0 249.358 1.064 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652360801 411216893 /nfs/dbraw/zinc/21/68/93/411216893.db2.gz QOYXAVJEWNGDCJ-UTUOFQBUSA-N 2 0 212.337 1.367 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)C1CCCCC1 ZINC000310215232 411224775 /nfs/dbraw/zinc/22/47/75/411224775.db2.gz DZIGCZBIAKMASS-GXTWGEPZSA-N 2 0 242.407 1.857 20 0 BDADRP CC[C@@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000658106853 411247264 /nfs/dbraw/zinc/24/72/64/411247264.db2.gz FWOSOLQBUZVGCO-OLZOCXBDSA-N 2 0 229.412 1.647 20 0 BDADRP CC[C@@H]1C[N@H+](CCn2cc(C)cn2)CC[C@H]1[NH3+] ZINC000310311740 411232532 /nfs/dbraw/zinc/23/25/32/411232532.db2.gz UYGJWOBALFCNKT-CHWSQXEVSA-N 2 0 236.363 1.251 20 0 BDADRP CC[N@H+](CCN[C@H]1CCCCC[C@@H]1[NH3+])C(C)C ZINC000422883827 411233850 /nfs/dbraw/zinc/23/38/50/411233850.db2.gz VRFNWXHDOFNGTP-KBPBESRZSA-N 2 0 241.423 1.966 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H](CO)C2CCC2)CC1 ZINC000658086659 411234617 /nfs/dbraw/zinc/23/46/17/411234617.db2.gz DLVVXIHOVGUOQZ-CQSZACIVSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000423173553 411236218 /nfs/dbraw/zinc/23/62/18/411236218.db2.gz ZDKHFHQPVKFAJX-STQMWFEESA-N 3 0 227.396 1.435 20 0 BDADRP CCn1ccc(C[NH2+]C2CCC(C[NH3+])CC2)n1 ZINC000423173486 411236454 /nfs/dbraw/zinc/23/64/54/411236454.db2.gz YYGWPTIVEYVUAX-UHFFFAOYSA-N 2 0 236.363 1.510 20 0 BDADRP C[C@@H]([NH2+][C@@H](CO)C1CCC1)C1CC[NH+](C)CC1 ZINC000658087048 411237070 /nfs/dbraw/zinc/23/70/70/411237070.db2.gz HBDFUHXJTUBWLY-RISCZKNCSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@H]2C[NH3+])[C@@H](C)O1 ZINC000423193760 411237428 /nfs/dbraw/zinc/23/74/28/411237428.db2.gz WFAXEEYSKBQQRS-UJPOAAIJSA-N 2 0 226.364 1.517 20 0 BDADRP O[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CCC1 ZINC000400909983 411165613 /nfs/dbraw/zinc/16/56/13/411165613.db2.gz DZMSHMCSFJJKOI-XJFOESAGSA-N 2 0 238.375 1.125 20 0 BDADRP CC(C)OCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400955461 411166538 /nfs/dbraw/zinc/16/65/38/411166538.db2.gz JEZIWTIODQCQPE-HZSPNIEDSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCO1 ZINC000400975324 411167358 /nfs/dbraw/zinc/16/73/58/411167358.db2.gz OVVXPBDAGDYMFW-MBJXGIAVSA-N 2 0 238.375 1.532 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400974234 411167410 /nfs/dbraw/zinc/16/74/10/411167410.db2.gz RBYFYPGELIKLCV-YIYPIFLZSA-N 2 0 240.391 1.229 20 0 BDADRP c1c(C[NH2+]C2CCCC2)nnn1C1CC[NH2+]CC1 ZINC000656457692 411266932 /nfs/dbraw/zinc/26/69/32/411266932.db2.gz YWEKVJIJAIZPOO-UHFFFAOYSA-N 2 0 249.362 1.235 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@H]2CCCn3ccnc32)CC1 ZINC000655714482 411268591 /nfs/dbraw/zinc/26/85/91/411268591.db2.gz FFGGFRJAIZWYLO-CYBMUJFWSA-N 2 0 248.374 1.649 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)C1 ZINC000658161233 411274440 /nfs/dbraw/zinc/27/44/40/411274440.db2.gz JAHBVNPYXCGZLS-XDQVBPFNSA-N 2 0 240.391 1.874 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)C1 ZINC000643509382 411279922 /nfs/dbraw/zinc/27/99/22/411279922.db2.gz KUGIHFYUYCTGGE-FRRDWIJNSA-N 2 0 226.364 1.533 20 0 BDADRP CC[NH2+]CC1CC[NH+](C[C@H]2CC[C@H](C)O2)CC1 ZINC000129402219 411282014 /nfs/dbraw/zinc/28/20/14/411282014.db2.gz RESCQZBHBWTISC-GXTWGEPZSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)n1ccnc1CN1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000649419044 411284425 /nfs/dbraw/zinc/28/44/25/411284425.db2.gz CITKHBUFFNRQJT-OLZOCXBDSA-N 2 0 248.374 1.648 20 0 BDADRP CCC[NH2+]CC[NH2+][C@H](C)CCCCO ZINC000643515253 411285421 /nfs/dbraw/zinc/28/54/21/411285421.db2.gz VCPXXQGUVVPAMH-LLVKDONJSA-N 2 0 202.342 1.127 20 0 BDADRP COCC[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402799819 411316002 /nfs/dbraw/zinc/31/60/02/411316002.db2.gz XFFIJJGJVUZHIY-AGIUHOORSA-N 2 0 226.364 1.472 20 0 BDADRP FC1(F)CCC[N@H+](CCN2CC[NH2+]CC2)CC1 ZINC000629559034 411324689 /nfs/dbraw/zinc/32/46/89/411324689.db2.gz PLWWOWKUNCDXPD-UHFFFAOYSA-N 2 0 247.333 1.013 20 0 BDADRP CC(C)(N)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656784160 411361050 /nfs/dbraw/zinc/36/10/50/411361050.db2.gz ZEGGCLIMTIXWHR-CYBMUJFWSA-N 2 0 239.407 1.435 20 0 BDADRP CC(C)[C@H]([NH3+])CNCc1ccc2c(c1)C[NH2+]CC2 ZINC000656787414 411365565 /nfs/dbraw/zinc/36/55/65/411365565.db2.gz YHVHYYSELFROCX-OAHLLOKOSA-N 2 0 247.386 1.405 20 0 BDADRP C[C@H]1C[C@H](C[NH2+]CC2([NH3+])CCCC2)CC[NH2+]1 ZINC000656789523 411369543 /nfs/dbraw/zinc/36/95/43/411369543.db2.gz PMCTYUNWWFLVKX-NWDGAFQWSA-N 3 0 225.380 1.236 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000656708387 411334656 /nfs/dbraw/zinc/33/46/56/411334656.db2.gz CVHPNFVXZCTFDF-RQJABVFESA-N 2 0 240.391 1.325 20 0 BDADRP CC[C@H](C)CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000656703419 411339301 /nfs/dbraw/zinc/33/93/01/411339301.db2.gz ALXLDDASJABPMY-STQMWFEESA-N 2 0 228.380 1.469 20 0 BDADRP C1[C@H](c2nc([C@@H]3CCC[NH2+]3)no2)[C@@]12CCC[NH2+]C2 ZINC000653491046 411381769 /nfs/dbraw/zinc/38/17/69/411381769.db2.gz IIELOJVPCLBBHK-NRUUGDAUSA-N 2 0 248.330 1.351 20 0 BDADRP Cc1cc(CN2CCCC[C@@H]2[C@H](C)[NH3+])nc(C)n1 ZINC000662233608 411383827 /nfs/dbraw/zinc/38/38/27/411383827.db2.gz HIIGJTZSHHJNHH-SMDDNHRTSA-N 2 0 248.374 1.795 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]CCC[N@H+](C)CCOC)CO1 ZINC000657308051 411460053 /nfs/dbraw/zinc/46/00/53/411460053.db2.gz LUDYLLYRULUBLR-CHWSQXEVSA-N 2 0 244.379 1.112 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]C[C@H](C)C[NH+]2CCCC2)CO1 ZINC000657319215 411460774 /nfs/dbraw/zinc/46/07/74/411460774.db2.gz VMPAKQLEIYFMCQ-MELADBBJSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)O[C@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000404507342 411399083 /nfs/dbraw/zinc/39/90/83/411399083.db2.gz BOZBHRMZLISWGR-KBPBESRZSA-N 2 0 240.391 1.875 20 0 BDADRP FC1(F)CC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647795901 411401294 /nfs/dbraw/zinc/40/12/94/411401294.db2.gz YZWVXAZIBBDQON-IVZWLZJFSA-N 2 0 230.302 1.762 20 0 BDADRP Cc1ccc(NC(=O)[C@@H](N)CC[NH+](C)C)cc1 ZINC000653056415 411407945 /nfs/dbraw/zinc/40/79/45/411407945.db2.gz FMXNUWLBEVABHM-LBPRGKRZSA-N 2 0 235.331 1.213 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000070360484 411408196 /nfs/dbraw/zinc/40/81/96/411408196.db2.gz SRPGDTSUASHCSU-CHWSQXEVSA-N 2 0 240.391 1.875 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000070360482 411408884 /nfs/dbraw/zinc/40/88/84/411408884.db2.gz SRPGDTSUASHCSU-QWHCGFSZSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1C[N@H+](CCOCC[NH3+])CCc2ccccc21 ZINC000404843258 411409357 /nfs/dbraw/zinc/40/93/57/411409357.db2.gz CMIALSDOLWRBFL-CYBMUJFWSA-N 2 0 248.370 1.624 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)C[C@@H]2CC[NH2+]C2)cc1 ZINC000131098474 411411537 /nfs/dbraw/zinc/41/15/37/411411537.db2.gz IYAIONRHBOOSHJ-NSHDSACASA-N 2 0 233.315 1.083 20 0 BDADRP CCC[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000653568604 411424562 /nfs/dbraw/zinc/42/45/62/411424562.db2.gz DVFSTWWPYWAKBO-KGLIPLIRSA-N 2 0 242.407 1.811 20 0 BDADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC1(CO)CC1 ZINC000122357230 411430152 /nfs/dbraw/zinc/43/01/52/411430152.db2.gz HPUCVGGNSLVZEG-QWHCGFSZSA-N 2 0 240.391 1.659 20 0 BDADRP C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000306285662 411441471 /nfs/dbraw/zinc/44/14/71/411441471.db2.gz JXUADLHGQYTHAD-ZRUFSTJUSA-N 2 0 214.378 1.597 20 0 BDADRP CC[C@H]1C[C@H]([NH2+]CCCC[NH+](C)C)CO1 ZINC000657334499 411463700 /nfs/dbraw/zinc/46/37/00/411463700.db2.gz BVSTYKNVLNSGHA-RYUDHWBXSA-N 2 0 214.353 1.485 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+][C@H](C)CC[NH+](C)C)CO1 ZINC000657334426 411463704 /nfs/dbraw/zinc/46/37/04/411463704.db2.gz ABURESFQPAFJEK-IJLUTSLNSA-N 2 0 214.353 1.484 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](CC)C2)CO1 ZINC000657337178 411471475 /nfs/dbraw/zinc/47/14/75/411471475.db2.gz LKPCZMHTFPYVSJ-BFHYXJOUSA-N 2 0 240.391 1.875 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CC(C)C)C1 ZINC000307846836 411486866 /nfs/dbraw/zinc/48/68/66/411486866.db2.gz ONTRJSYBGIZXQW-KBPBESRZSA-N 2 0 242.407 1.667 20 0 BDADRP CC[C@@H](O)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657493575 411533622 /nfs/dbraw/zinc/53/36/22/411533622.db2.gz GRTUQKOUEZZIIW-CYBMUJFWSA-N 2 0 246.314 1.128 20 0 BDADRP CC[NH+]1CCC(NC(=O)CCCCC[NH3+])CC1 ZINC000038098259 169952971 /nfs/dbraw/zinc/95/29/71/169952971.db2.gz UYNZDDSOOZKNDX-UHFFFAOYSA-N 2 0 241.379 1.106 20 0 BDADRP FCCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657400942 411496272 /nfs/dbraw/zinc/49/62/72/411496272.db2.gz PHWCAWRBAAQFOE-UHFFFAOYSA-N 2 0 234.278 1.717 20 0 BDADRP COC[C@H](C)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000309490708 411498649 /nfs/dbraw/zinc/49/86/49/411498649.db2.gz ZSASFRCQKCAYHO-AGIUHOORSA-N 2 0 226.364 1.330 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805082 411519280 /nfs/dbraw/zinc/51/92/80/411519280.db2.gz BHFLNJOXQDUJOR-WHOHXGKFSA-N 2 0 214.353 1.340 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655804056 411519515 /nfs/dbraw/zinc/51/95/15/411519515.db2.gz NQUNXURPGIYVDM-NDBYEHHHSA-N 2 0 226.364 1.341 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCn3ccnc32)C1 ZINC000655804566 411519558 /nfs/dbraw/zinc/51/95/58/411519558.db2.gz ZRQLSMVYGDVDBA-GRYCIOLGSA-N 2 0 234.347 1.258 20 0 BDADRP CCOC[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805862 411520313 /nfs/dbraw/zinc/52/03/13/411520313.db2.gz MIHCPETTXFPAFX-UTUOFQBUSA-N 2 0 214.353 1.341 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccco2)C1 ZINC000655825279 411527336 /nfs/dbraw/zinc/52/73/36/411527336.db2.gz CBXOHEUFEYWAKO-PHIMTYICSA-N 2 0 208.305 1.709 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cccnc2)C1 ZINC000655825587 411527625 /nfs/dbraw/zinc/52/76/25/411527625.db2.gz IPIAQJQEDXUYEL-BETUJISGSA-N 2 0 219.332 1.511 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cc[nH]c2)C1 ZINC000655827295 411529961 /nfs/dbraw/zinc/52/99/61/411529961.db2.gz QPWUUUMPNNQROV-TXEJJXNPSA-N 2 0 207.321 1.445 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H]2CCCO2)C1 ZINC000309469014 170017157 /nfs/dbraw/zinc/01/71/57/170017157.db2.gz UARYFVHIBRTFGB-YNEHKIRRSA-N 2 0 226.364 1.485 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](C)OC)C[C@H]1C ZINC000336673353 170018490 /nfs/dbraw/zinc/01/84/90/170018490.db2.gz KQHVNGLAHBKBSI-UPJWGTAASA-N 2 0 228.380 1.826 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC[C@H](C)O)[C@H](C)C1 ZINC000336730886 170019780 /nfs/dbraw/zinc/01/97/80/170019780.db2.gz YJRUQKRNGZWRPV-RDBSUJKOSA-N 2 0 242.407 1.810 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCCCO)[C@H](C)C1 ZINC000352785132 170022598 /nfs/dbraw/zinc/02/25/98/170022598.db2.gz ZIWIHXREJZKRBL-RDBSUJKOSA-N 2 0 242.407 1.857 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)C[C@H](C)O)[C@@H](C)C1 ZINC000336777295 170022655 /nfs/dbraw/zinc/02/26/55/170022655.db2.gz IAASXGZKKZLXKH-RNJOBUHISA-N 2 0 228.380 1.466 20 0 BDADRP Cc1ncc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)n1C ZINC000657505212 411540030 /nfs/dbraw/zinc/54/00/30/411540030.db2.gz WGEWMNUZSXRPHL-TXEJJXNPSA-N 2 0 236.363 1.158 20 0 BDADRP CCOC(C)(C)C[NH2+][C@@H]1CN(CC)C[C@@H]1C ZINC000336777641 170314052 /nfs/dbraw/zinc/31/40/52/170314052.db2.gz JBGSWNUKMPAVCE-NWDGAFQWSA-N 2 0 228.380 1.731 20 0 BDADRP CCOC1CC([NH2+]C[C@@H](C)C[NH+]2CCCC2)C1 ZINC000124463665 170329334 /nfs/dbraw/zinc/32/93/34/170329334.db2.gz SNZNQMVEUDMVON-IYXRBSQSSA-N 2 0 240.391 1.875 20 0 BDADRP CCOCC(C)(C)C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000343926448 170352567 /nfs/dbraw/zinc/35/25/67/170352567.db2.gz IZSRVRLMSYLRBF-OLZOCXBDSA-N 2 0 242.407 1.979 20 0 BDADRP c1c[nH]c(CN[C@H]2CC[N@@H+](C3CCCCC3)C2)n1 ZINC000657674679 411575726 /nfs/dbraw/zinc/57/57/26/411575726.db2.gz LKMMKSGLDBJMSN-LBPRGKRZSA-N 2 0 248.374 1.906 20 0 BDADRP CCOCCC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000336681894 170374488 /nfs/dbraw/zinc/37/44/88/170374488.db2.gz RVBOSZYWRAPZQA-ZDUSSCGKSA-N 2 0 226.364 1.441 20 0 BDADRP CCOCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000020523930 170380558 /nfs/dbraw/zinc/38/05/58/170380558.db2.gz RLYQDPCDGZQFDB-YHWZYXNKSA-N 2 0 226.364 1.628 20 0 BDADRP CCOCC[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000336674140 170391362 /nfs/dbraw/zinc/39/13/62/170391362.db2.gz LJIZDFIDAALLKC-STQMWFEESA-N 2 0 228.380 1.828 20 0 BDADRP C[C@H]1CN(C)C[C@@H]1[NH2+]CCCc1ccco1 ZINC000657783840 411595022 /nfs/dbraw/zinc/59/50/22/411595022.db2.gz XUMUUPLHRGXRHL-AAEUAGOBSA-N 2 0 222.332 1.752 20 0 BDADRP Cc1cncc(CC[N@@H+]2CCn3cncc3C2)n1 ZINC000660583054 411603284 /nfs/dbraw/zinc/60/32/84/411603284.db2.gz FSDSTVLABROEMW-UHFFFAOYSA-N 2 0 243.314 1.040 20 0 BDADRP c1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)n[nH]1 ZINC000657813273 411603813 /nfs/dbraw/zinc/60/38/13/411603813.db2.gz MRSSTMVBNTXARZ-UHFFFAOYSA-N 2 0 248.374 1.621 20 0 BDADRP C[C@H](O)CC[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660660813 411613467 /nfs/dbraw/zinc/61/34/67/411613467.db2.gz AWGCXOMRKVMIFN-QWHCGFSZSA-N 2 0 226.364 1.175 20 0 BDADRP CC[C@H](C)[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660697530 411618225 /nfs/dbraw/zinc/61/82/25/411618225.db2.gz HCBPWYZFSQXTFM-ZDUSSCGKSA-N 2 0 242.407 1.857 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000663504285 411688039 /nfs/dbraw/zinc/68/80/39/411688039.db2.gz YGJFAZCOVSGEMV-FRRDWIJNSA-N 3 0 227.396 1.338 20 0 BDADRP CCn1nccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000663512034 411692364 /nfs/dbraw/zinc/69/23/64/411692364.db2.gz DWAWJQVMGDHZSJ-FRRDWIJNSA-N 2 0 248.374 1.381 20 0 BDADRP C[NH2+]C[C@H](C)NC1CC[NH+](C(C)C)CC1 ZINC000663509213 411692646 /nfs/dbraw/zinc/69/26/46/411692646.db2.gz IJFUIKXAVHUQJW-NSHDSACASA-N 2 0 213.369 1.057 20 0 BDADRP C[N@H+](C[C@H]1CC1(C)C)C[C@]1(C)CC[NH2+]C1 ZINC000663514756 411695078 /nfs/dbraw/zinc/69/50/78/411695078.db2.gz SQPKJWOSAXWRDC-DGCLKSJQSA-N 2 0 210.365 1.964 20 0 BDADRP CC[C@@H](C)C[NH2+]CC1CC[NH+](CCO)CC1 ZINC000120480170 170707475 /nfs/dbraw/zinc/70/74/75/170707475.db2.gz OHFHUDALCDGVBV-GFCCVEGCSA-N 2 0 228.380 1.326 20 0 BDADRP O[C@H]1C[C@@H]([NH2+]CCN2CCCCC2)C12CCC2 ZINC000661830919 411894814 /nfs/dbraw/zinc/89/48/14/411894814.db2.gz LDUQUBZTHRLSQB-OLZOCXBDSA-N 2 0 238.375 1.365 20 0 BDADRP Cc1c[nH+]ccc1N(C)CC1C[NH+](C)C1 ZINC000664328186 411922344 /nfs/dbraw/zinc/92/23/44/411922344.db2.gz BHEDDDGYHYDFEB-UHFFFAOYSA-N 2 0 205.305 1.388 20 0 BDADRP C[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)[C@H]1CCO ZINC000662216813 412029501 /nfs/dbraw/zinc/02/95/01/412029501.db2.gz PJXVCJOMOMHHKN-JSGCOSHPSA-N 2 0 240.391 1.469 20 0 BDADRP CO[C@@H](C[NH2+]CC1([NH3+])CCC1)C1CCCC1 ZINC000662267287 412060533 /nfs/dbraw/zinc/06/05/33/412060533.db2.gz UOKAQUVZAKWWOJ-LBPRGKRZSA-N 2 0 226.364 1.663 20 0 BDADRP CC[C@@H](CC(F)F)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000662245250 412042168 /nfs/dbraw/zinc/04/21/68/412042168.db2.gz JMCNDVPBJUQHTA-VHSXEESVSA-N 2 0 220.307 1.948 20 0 BDADRP C[NH2+]CC1CC[NH+](CCO[C@H]2CC2(F)F)CC1 ZINC000662246731 412043126 /nfs/dbraw/zinc/04/31/26/412043126.db2.gz QQKCEDUFXYEADN-NSHDSACASA-N 2 0 248.317 1.342 20 0 BDADRP [NH3+]C1(CNCc2cccc3c2CC[NH2+]C3)CCC1 ZINC000662267891 412059796 /nfs/dbraw/zinc/05/97/96/412059796.db2.gz ZTTWDGOULFNIOX-UHFFFAOYSA-N 2 0 245.370 1.303 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](CCO[C@@H]2CC2(F)F)CC1 ZINC000662247570 412044836 /nfs/dbraw/zinc/04/48/36/412044836.db2.gz XUSOMAKGOMLCSS-GXSJLCMTSA-N 2 0 248.317 1.470 20 0 BDADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249400 412046803 /nfs/dbraw/zinc/04/68/03/412046803.db2.gz MDJWWBMLZNMSSF-NWDGAFQWSA-N 2 0 224.348 1.382 20 0 BDADRP CC(C)N(Cc1ccccn1)C[C@H]1C[NH2+]CCO1 ZINC000662261150 412053829 /nfs/dbraw/zinc/05/38/29/412053829.db2.gz WDQUGURATGMKIM-CQSZACIVSA-N 2 0 249.358 1.280 20 0 BDADRP CC[C@@H]1C[N@H+](Cc2cccc(O)c2)CC[C@@H]1[NH3+] ZINC000134091899 412058410 /nfs/dbraw/zinc/05/84/10/412058410.db2.gz NSTXOXLRPYUPIW-OCCSQVGLSA-N 2 0 234.343 1.951 20 0 BDADRP CC[C@@H]1C[N@H+](CCC[NH2+]C)CCS1 ZINC000123786624 171081331 /nfs/dbraw/zinc/08/13/31/171081331.db2.gz DNWCHMSCCLVEFF-SNVBAGLBSA-N 2 0 202.367 1.423 20 0 BDADRP CC[C@@H]1COCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000051919052 171105774 /nfs/dbraw/zinc/10/57/74/171105774.db2.gz UPYOKBKEEKUOLW-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)C1CCC1 ZINC000662273550 412064739 /nfs/dbraw/zinc/06/47/39/412064739.db2.gz OELRZWOYUVFJQP-HZSPNIEDSA-N 2 0 238.375 1.485 20 0 BDADRP C([C@@H]1C[C@H]2C[C@H]2C1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000662275393 412067590 /nfs/dbraw/zinc/06/75/90/412067590.db2.gz BVYDHYLYLPSQBB-LXTVHRRPSA-N 2 0 249.402 1.012 20 0 BDADRP CC[C@@](C)(O)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000308638256 171183790 /nfs/dbraw/zinc/18/37/90/171183790.db2.gz BVKJBOJIQHXCLN-WDEREUQCSA-N 2 0 202.342 1.255 20 0 BDADRP CC[C@H](C(=O)NCCC[NH+](CC)CC)[NH+](C)C ZINC000359362355 171228223 /nfs/dbraw/zinc/22/82/23/171228223.db2.gz KDEGNQBSRYTOKC-GFCCVEGCSA-N 2 0 243.395 1.175 20 0 BDADRP CC[C@H](C(=O)OC)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000356600658 171240972 /nfs/dbraw/zinc/24/09/72/171240972.db2.gz HEQGMAAJDQMOJM-GFCCVEGCSA-N 2 0 242.363 1.212 20 0 BDADRP C[N@H+](CC[C@H]1CCCCO1)CC(C)(C)[NH3+] ZINC000662296165 412083306 /nfs/dbraw/zinc/08/33/06/412083306.db2.gz XDRKKOHQDIEDAL-LLVKDONJSA-N 2 0 214.353 1.615 20 0 BDADRP CCOCC[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290002 412079869 /nfs/dbraw/zinc/07/98/69/412079869.db2.gz DEPMMCBPYXADBR-CQSZACIVSA-N 2 0 240.391 1.735 20 0 BDADRP CC[C@H](C)[C@@H](C)[NH2+][C@H](CCC[NH3+])COC ZINC000300025471 171366230 /nfs/dbraw/zinc/36/62/30/171366230.db2.gz SRURYULOBUJJCC-QJPTWQEYSA-N 2 0 216.369 1.765 20 0 BDADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCCC[NH+](CC)CC ZINC000019478872 171371754 /nfs/dbraw/zinc/37/17/54/171371754.db2.gz DYKBKXPSEYKRHW-NWDGAFQWSA-N 2 0 243.395 1.208 20 0 BDADRP CC[C@H](C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])OC ZINC000362978260 171393420 /nfs/dbraw/zinc/39/34/20/171393420.db2.gz YMLQHEXXNIYWJP-LOWDOPEQSA-N 2 0 228.380 1.765 20 0 BDADRP C[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)[C@H]1CCO ZINC000662302859 412088579 /nfs/dbraw/zinc/08/85/79/412088579.db2.gz OOXGVBJLEGGRDF-AGIUHOORSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@H](CO)[C@@H]1CCCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000662301738 412089641 /nfs/dbraw/zinc/08/96/41/412089641.db2.gz SCKLWUSGUBCDLI-MCIONIFRSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@H]([NH3+])C[NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000662310843 412094460 /nfs/dbraw/zinc/09/44/60/412094460.db2.gz NXSDXNQHISDKLL-DRZSPHRISA-N 2 0 236.363 1.068 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000662312535 412094695 /nfs/dbraw/zinc/09/46/95/412094695.db2.gz HQUNDULDBXLKRD-ZIAGYGMSSA-N 2 0 240.391 1.877 20 0 BDADRP N[C@@H]1C[N@H+](CCCC2CC[NH2+]CC2)CC[C@H]1F ZINC000662326100 412102066 /nfs/dbraw/zinc/10/20/66/412102066.db2.gz NRWIIGXARAKPEH-CHWSQXEVSA-N 2 0 243.370 1.137 20 0 BDADRP CC[C@H]([NH2+]C)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000662374535 412129688 /nfs/dbraw/zinc/12/96/88/412129688.db2.gz JEDCVUSDZRIHDZ-ZDUSSCGKSA-N 2 0 249.358 1.685 20 0 BDADRP Cc1ccncc1CC[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000665239719 412179163 /nfs/dbraw/zinc/17/91/63/412179163.db2.gz XZOXLIAMJGXKEF-OLZOCXBDSA-N 2 0 219.332 1.402 20 0 BDADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C/C=C\CO ZINC000665239145 412181039 /nfs/dbraw/zinc/18/10/39/412181039.db2.gz MWKWKMWSWOPRKU-XOULXFPDSA-N 2 0 235.331 1.048 20 0 BDADRP CC[C@H](NCC1([NH3+])CCCC1)[C@@H]1CCC[NH2+]1 ZINC000665246937 412190493 /nfs/dbraw/zinc/19/04/93/412190493.db2.gz RPRAXXYOIMOCLA-RYUDHWBXSA-N 2 0 225.380 1.378 20 0 BDADRP Cc1cncc(CC[NH2+][C@H](C)C[C@@H](C)[NH3+])n1 ZINC000665273778 412215690 /nfs/dbraw/zinc/21/56/90/412215690.db2.gz DFUSNABRKRTYTE-NXEZZACHSA-N 2 0 222.336 1.043 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+]CC2([NH3+])CCCC2)C1 ZINC000665247132 412192354 /nfs/dbraw/zinc/19/23/54/412192354.db2.gz WILIHMRVUDVUPX-NEPJUHHUSA-N 2 0 226.364 1.805 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000665273386 412214980 /nfs/dbraw/zinc/21/49/80/412214980.db2.gz VSYMPGQZVBJLIM-PKFCDNJMSA-N 2 0 233.359 1.972 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[C@H]2C[C@H]21 ZINC000665263284 412202090 /nfs/dbraw/zinc/20/20/90/412202090.db2.gz JTDXACZNCBIMLV-YYHQMBLXSA-N 2 0 208.349 1.892 20 0 BDADRP C[C@@H]([NH2+]CCC(C)(C)F)[C@H]1CCC[NH2+]1 ZINC000665261533 412204142 /nfs/dbraw/zinc/20/41/42/412204142.db2.gz FNDCHSRSOBPMRP-NXEZZACHSA-N 2 0 202.317 1.855 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000665263283 412205460 /nfs/dbraw/zinc/20/54/60/412205460.db2.gz JTDXACZNCBIMLV-SJHCENCUSA-N 2 0 208.349 1.892 20 0 BDADRP C[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)O1 ZINC000665264734 412207905 /nfs/dbraw/zinc/20/79/05/412207905.db2.gz HBWFECMEDNJKLS-SYQHCUMBSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])CC1(F)F ZINC000665265542 412209147 /nfs/dbraw/zinc/20/91/47/412209147.db2.gz XYJFVEZHJRMXKH-DJLDLDEBSA-N 2 0 204.264 1.501 20 0 BDADRP CC1(C)[C@H](C[NH2+][C@H]2CCC[C@H]2[NH3+])C1(F)F ZINC000665273966 412215560 /nfs/dbraw/zinc/21/55/60/412215560.db2.gz GWQUPLZXSZBUSX-VGMNWLOBSA-N 2 0 218.291 1.747 20 0 BDADRP CC[NH2+]Cc1ccccc1NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662399295 412147607 /nfs/dbraw/zinc/14/76/07/412147607.db2.gz KSRNFVSMEIDSHC-HAQNSBGRSA-N 2 0 247.342 1.472 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662427890 412166746 /nfs/dbraw/zinc/16/67/46/412166746.db2.gz DLHKLSJMPAKTKW-QWRGUYRKSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000665272521 412214210 /nfs/dbraw/zinc/21/42/10/412214210.db2.gz GWTNOZQQUFLXRP-BFHYXJOUSA-N 2 0 241.423 1.822 20 0 BDADRP Nc1cccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000665232047 412170863 /nfs/dbraw/zinc/17/08/63/412170863.db2.gz FBZLAXXAPZJBCR-JSGCOSHPSA-N 2 0 233.359 1.876 20 0 BDADRP COC[C@H](CC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)OC ZINC000665235012 412173722 /nfs/dbraw/zinc/17/37/22/412173722.db2.gz OEOACJZHYGZLNX-AGIUHOORSA-N 2 0 244.379 1.158 20 0 BDADRP COC[C@H](CC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])OC ZINC000665234958 412174448 /nfs/dbraw/zinc/17/44/48/412174448.db2.gz MWORFKALBQMTPK-FRRDWIJNSA-N 2 0 244.379 1.145 20 0 BDADRP COC[C@H](CC[NH2+][C@@H]1CCCC[C@H]1C[NH3+])OC ZINC000665234959 412174868 /nfs/dbraw/zinc/17/48/68/412174868.db2.gz MWORFKALBQMTPK-RWMBFGLXSA-N 2 0 244.379 1.145 20 0 BDADRP [NH3+]Cc1ccc(C(=O)NCC2([NH3+])CCCC2)cc1 ZINC000662650229 412256284 /nfs/dbraw/zinc/25/62/84/412256284.db2.gz XIIKDRITKUMQEC-UHFFFAOYSA-N 2 0 247.342 1.147 20 0 BDADRP CC1(C)[C@H](C[NH2+][C@H]2CCC[C@H]2C[NH3+])C1(F)F ZINC000665273726 412216270 /nfs/dbraw/zinc/21/62/70/412216270.db2.gz CIWHBNXUOWHSDZ-GUBZILKMSA-N 2 0 232.318 1.995 20 0 BDADRP CCCN1CC[C@H]([NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000665274361 412216751 /nfs/dbraw/zinc/21/67/51/412216751.db2.gz OUZHMVSEENWTDE-RUXDESIVSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)C1CCOCC1 ZINC000665277964 412219826 /nfs/dbraw/zinc/21/98/26/412219826.db2.gz RCMRVDAEIBTKNR-ZBOXLXRLSA-N 2 0 224.348 1.143 20 0 BDADRP C[NH+](C)C1CCC([NH2+]CC23CC(C2)C[NH2+]3)CC1 ZINC000665278805 412223642 /nfs/dbraw/zinc/22/36/42/412223642.db2.gz PHJHZPORMOGYBN-UHFFFAOYSA-N 3 0 237.391 1.201 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000665280688 412225129 /nfs/dbraw/zinc/22/51/29/412225129.db2.gz JBXLTCHAIDZEEX-BNOWGMLFSA-N 2 0 239.407 1.432 20 0 BDADRP Cc1n[nH]cc1[C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000665281314 412226243 /nfs/dbraw/zinc/22/62/43/412226243.db2.gz ZNBWKLOYLNSHRR-BXKDBHETSA-N 2 0 224.352 1.742 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000662578760 412227768 /nfs/dbraw/zinc/22/77/68/412227768.db2.gz HKMRIUGJFBKAJS-OLZOCXBDSA-N 2 0 247.342 1.520 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCCc1ccco1 ZINC000665283764 412229729 /nfs/dbraw/zinc/22/97/29/412229729.db2.gz UNKVBYCOXUTSLZ-MNOVXSKESA-N 2 0 210.321 1.928 20 0 BDADRP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)C(C)(C)C ZINC000665292122 412237051 /nfs/dbraw/zinc/23/70/51/412237051.db2.gz SZOBABZPEYIPSV-MRVPVSSYSA-N 2 0 238.335 1.165 20 0 BDADRP Cc1ccccc1[C@H]([NH3+])C(=O)N(C)CC(C)(C)[NH3+] ZINC000662605974 412237657 /nfs/dbraw/zinc/23/76/57/412237657.db2.gz VVMDNGBFSVQSEX-LBPRGKRZSA-N 2 0 249.358 1.191 20 0 BDADRP C[NH2+]C[C@H](C)N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000665298053 412245955 /nfs/dbraw/zinc/24/59/55/412245955.db2.gz QXEGUCIYWAZBEU-XDTLVQLUSA-N 2 0 219.332 1.329 20 0 BDADRP CCn1nccc1C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000665299212 412247634 /nfs/dbraw/zinc/24/76/34/412247634.db2.gz IMUVAFHFHNBDIK-YPMHNXCESA-N 2 0 236.363 1.381 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(CO)cc2)C1 ZINC000133034842 412392240 /nfs/dbraw/zinc/39/22/40/412392240.db2.gz QYADTXJATSSEKQ-HNNXBMFYSA-N 2 0 248.370 1.610 20 0 BDADRP CCc1nccn1Cc1cccnc1N ZINC000052733950 172026710 /nfs/dbraw/zinc/02/67/10/172026710.db2.gz OHCFFAUFOPKUQZ-UHFFFAOYSA-N 2 0 202.261 1.471 20 0 BDADRP CCc1noc(C)c1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000336538253 172077998 /nfs/dbraw/zinc/07/79/98/172077998.db2.gz ZEBJBNFUZBDGAN-PHIMTYICSA-N 2 0 235.331 1.197 20 0 BDADRP C[NH+](C)C1CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC000353453952 172405178 /nfs/dbraw/zinc/40/51/78/172405178.db2.gz HWCSEUKYTWCAGC-IYXRBSQSSA-N 2 0 240.391 1.875 20 0 BDADRP C[NH+](C)[C@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000250348779 172536805 /nfs/dbraw/zinc/53/68/05/172536805.db2.gz IFETWKKVSHLNPB-STQMWFEESA-N 2 0 225.380 1.012 20 0 BDADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1C[C@H](O)C(C)(C)C1 ZINC000335310120 173007055 /nfs/dbraw/zinc/00/70/55/173007055.db2.gz DXRDAUSNKVIDHJ-STQMWFEESA-N 2 0 240.391 1.564 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H](CO)C(C)(C)C ZINC000309555868 173026825 /nfs/dbraw/zinc/02/68/25/173026825.db2.gz JQRFOFSOCJEKHK-NEPJUHHUSA-N 2 0 228.380 1.467 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CCN1CC[C@H](n2cncn2)C1 ZINC000364536331 173028000 /nfs/dbraw/zinc/02/80/00/173028000.db2.gz ZPEGWJDLKMHYIS-OLZOCXBDSA-N 2 0 249.362 1.009 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CCN1CC[NH+]2CCC[C@H]2C1 ZINC000245607085 173028271 /nfs/dbraw/zinc/02/82/71/173028271.db2.gz KGJAJHMWYSPBCE-KGLIPLIRSA-N 2 0 237.391 1.251 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH+]1C)[C@H]1CCSC1 ZINC000245704430 173049978 /nfs/dbraw/zinc/04/99/78/173049978.db2.gz YFDRDLDEPYSRBN-RYUDHWBXSA-N 2 0 228.405 1.908 20 0 BDADRP C[N@@H+]1CCC[C@H]2C[NH+](CCC(C)(C)O)CC[C@@H]21 ZINC000220947070 173059788 /nfs/dbraw/zinc/05/97/88/173059788.db2.gz MIVWTGCJAXXQQG-STQMWFEESA-N 2 0 240.391 1.564 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCO2)[C@@H]2CCC[C@H]21 ZINC000353433996 173152540 /nfs/dbraw/zinc/15/25/40/173152540.db2.gz HZNYEXNYTPONCJ-XDQVBPFNSA-N 2 0 238.375 1.628 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+](CCOC(C)(C)C)C2)C1 ZINC000368313650 173167089 /nfs/dbraw/zinc/16/70/89/173167089.db2.gz DHNYEHHRTJHENZ-AWEZNQCLSA-N 2 0 240.391 1.829 20 0 BDADRP C[NH2+]CC(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000237231813 173330299 /nfs/dbraw/zinc/33/02/99/173330299.db2.gz MFCRGYMABFZZDB-CYBMUJFWSA-N 2 0 249.358 1.145 20 0 BDADRP C[NH2+]CCC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000043605849 173341684 /nfs/dbraw/zinc/34/16/84/173341684.db2.gz CMGUGCJOELRBER-ZDUSSCGKSA-N 2 0 249.358 1.015 20 0 BDADRP C[NH2+]CCC1CC[NH+](Cc2ccnn2C)CC1 ZINC000070188801 173342745 /nfs/dbraw/zinc/34/27/45/173342745.db2.gz OYVKWVMURNQKKR-UHFFFAOYSA-N 2 0 236.363 1.242 20 0 BDADRP C[NH2+]CCCNC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000121220452 173347699 /nfs/dbraw/zinc/34/76/99/173347699.db2.gz REEJCEJKTCJZRM-DGCLKSJQSA-N 2 0 249.358 1.048 20 0 BDADRP C[NH2+]C[C@@H]1CCCN1CCCCCF ZINC000308494437 173368913 /nfs/dbraw/zinc/36/89/13/173368913.db2.gz SHMJGRPGLCDORG-NSHDSACASA-N 2 0 202.317 1.810 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)[C@@H](C)C[NH2+]C)c1 ZINC000237067085 173389648 /nfs/dbraw/zinc/38/96/48/173389648.db2.gz IKHZAAGYJJKFNC-JTQLQIEISA-N 2 0 235.331 1.200 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)[C@H]2CCC[NH2+]C2)c1 ZINC000296579971 173389757 /nfs/dbraw/zinc/38/97/57/173389757.db2.gz WRQSXELRMQWITP-LBPRGKRZSA-N 2 0 247.342 1.344 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)[C@H](C)C[NH2+]C)c1 ZINC000237251527 173389881 /nfs/dbraw/zinc/38/98/81/173389881.db2.gz IKHZAAGYJJKFNC-SNVBAGLBSA-N 2 0 235.331 1.200 20 0 BDADRP CCCN1CC[C@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000328187224 487627655 /nfs/dbraw/zinc/62/76/55/487627655.db2.gz OJFDQIZCGWTIQU-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP COC1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000336698136 174027763 /nfs/dbraw/zinc/02/77/63/174027763.db2.gz IDICIBXXUJMOIX-GFCCVEGCSA-N 2 0 226.364 1.582 20 0 BDADRP COCC(C)(C)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000336651017 174076483 /nfs/dbraw/zinc/07/64/83/174076483.db2.gz HUCJJMIUJGEALW-RYUDHWBXSA-N 2 0 228.380 1.731 20 0 BDADRP COCC(C)(C)[NH2+]CC1CC[NH2+]CC1 ZINC000135144432 174081741 /nfs/dbraw/zinc/08/17/41/174081741.db2.gz VZYSCVOLCKKDGE-UHFFFAOYSA-N 2 0 200.326 1.001 20 0 BDADRP COCCCCC[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000336748612 174180650 /nfs/dbraw/zinc/18/06/50/174180650.db2.gz SUMCVFDPNMFZJJ-GFCCVEGCSA-N 2 0 214.353 1.474 20 0 BDADRP COCCCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000044657367 174202824 /nfs/dbraw/zinc/20/28/24/174202824.db2.gz RMZBIJVLGHGLDW-FRRDWIJNSA-N 2 0 228.380 1.731 20 0 BDADRP COCCC[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000082645398 174228084 /nfs/dbraw/zinc/22/80/84/174228084.db2.gz PDWIDPNMDMEYEO-WDEREUQCSA-N 2 0 200.326 1.082 20 0 BDADRP COCCC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000372991269 174231353 /nfs/dbraw/zinc/23/13/53/174231353.db2.gz UAGUPIAGYQALCE-LBPRGKRZSA-N 2 0 214.353 1.439 20 0 BDADRP COCCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000369599844 174235490 /nfs/dbraw/zinc/23/54/90/174235490.db2.gz GRXZOJHLEXZNLE-MCIONIFRSA-N 2 0 238.375 1.439 20 0 BDADRP COCC[N@H+](C[C@@]1(C)CC[NH2+]C1)C1CC1 ZINC000062911785 174297018 /nfs/dbraw/zinc/29/70/18/174297018.db2.gz CWWHFTPMGSUPLU-LBPRGKRZSA-N 2 0 212.337 1.097 20 0 BDADRP COCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000363257437 174318579 /nfs/dbraw/zinc/31/85/79/174318579.db2.gz XPIRAWZYDMBUGW-FRRDWIJNSA-N 2 0 224.348 1.049 20 0 BDADRP COCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000375898309 174339494 /nfs/dbraw/zinc/33/94/94/174339494.db2.gz QZURJRCTXDBGDX-TUAOUCFPSA-N 2 0 212.337 1.095 20 0 BDADRP COCCOCC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000044693434 174357469 /nfs/dbraw/zinc/35/74/69/174357469.db2.gz JOFUZWIQPBGJJI-UHFFFAOYSA-N 2 0 244.379 1.112 20 0 BDADRP COC[C@@H](CC(C)C)[NH2+]CC1CC[NH+](C)CC1 ZINC000361182414 174467277 /nfs/dbraw/zinc/46/72/77/174467277.db2.gz AHYYBNHJWFNMHJ-CQSZACIVSA-N 2 0 242.407 1.979 20 0 BDADRP CO[C@H](C)C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000224011042 174834890 /nfs/dbraw/zinc/83/48/90/174834890.db2.gz IAHRMIUQCXLUEJ-XQQFMLRXSA-N 2 0 228.380 1.922 20 0 BDADRP COc1ccc(C[NH2+]CCCC[NH3+])c(OC)c1 ZINC000037714621 175106575 /nfs/dbraw/zinc/10/65/75/175106575.db2.gz VZKSMMWJPMNBBT-UHFFFAOYSA-N 2 0 238.331 1.532 20 0 BDADRP COc1cccc([C@H](C)[NH2+]C[C@H](C)C[NH3+])c1 ZINC000336686207 175293568 /nfs/dbraw/zinc/29/35/68/175293568.db2.gz UQCKTLZEAJDSHV-MNOVXSKESA-N 2 0 222.332 1.941 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](CCc2cccnc2)CC1 ZINC000104448479 175802120 /nfs/dbraw/zinc/80/21/20/175802120.db2.gz NEBBNXFHHRPYGX-GFCCVEGCSA-N 2 0 233.359 1.683 20 0 BDADRP C[C@@H](O)CC[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000340285978 175955463 /nfs/dbraw/zinc/95/54/63/175955463.db2.gz DXVRZOGIIVQFTB-CYBMUJFWSA-N 2 0 242.407 1.811 20 0 BDADRP C[C@@H](c1ccc(F)cc1)[N@H+](C)CCOCC[NH3+] ZINC000357031648 176015542 /nfs/dbraw/zinc/01/55/42/176015542.db2.gz RATGSEXHLMIOLH-NSHDSACASA-N 2 0 240.322 1.794 20 0 BDADRP C[C@@H](c1ccccc1)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000059161695 176019950 /nfs/dbraw/zinc/01/99/50/176019950.db2.gz NNNPYTJSDRLKFP-LBPRGKRZSA-N 2 0 234.343 1.533 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1Nc1nc2ccccc2[nH]1 ZINC000333078910 176186666 /nfs/dbraw/zinc/18/66/66/176186666.db2.gz FCCSMYNNYLVZIK-BXKDBHETSA-N 2 0 230.315 1.973 20 0 BDADRP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CCOCC[NH+](C)C)C1 ZINC000300635102 176199698 /nfs/dbraw/zinc/19/96/98/176199698.db2.gz VIBNLYUZRVKNHT-MGPQQGTHSA-N 2 0 242.407 1.979 20 0 BDADRP C[C@@H]1CC[C@H](C[NH+]2CCC(C[NH+](C)C)CC2)O1 ZINC000336694377 176224442 /nfs/dbraw/zinc/22/44/42/176224442.db2.gz KZTSETRJWATEMT-TZMCWYRMSA-N 2 0 240.391 1.828 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)O1 ZINC000336713024 176225063 /nfs/dbraw/zinc/22/50/63/176225063.db2.gz OCHACNPZQKRABO-MGPQQGTHSA-N 2 0 238.375 1.582 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000336678277 176269321 /nfs/dbraw/zinc/26/93/21/176269321.db2.gz BPKKZIWCBDMJJN-LPWJVIDDSA-N 2 0 226.364 1.077 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCOC1 ZINC000037738676 176280003 /nfs/dbraw/zinc/28/00/03/176280003.db2.gz DLVHGFPLVJLPRA-FVCCEPFGSA-N 2 0 226.364 1.341 20 0 BDADRP C[C@@H]1C[NH+](CCC2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000026515239 176288275 /nfs/dbraw/zinc/28/82/75/176288275.db2.gz VAXHDQLLHKKJFR-VXGBXAGGSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)[C@H](C)CO1 ZINC000035786776 176288669 /nfs/dbraw/zinc/28/86/69/176288669.db2.gz NQPUKESXVSIXMQ-VXGBXAGGSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1C[N@H+](CCc2cccnc2)CC[C@@H]1[NH3+] ZINC000049712931 176293679 /nfs/dbraw/zinc/29/36/79/176293679.db2.gz ZRDQUJUQLMWZKT-YPMHNXCESA-N 2 0 219.332 1.293 20 0 BDADRP C[C@@H]1C[N@H+](CCc2cccs2)CC[C@@H]1[NH3+] ZINC000049712287 176293762 /nfs/dbraw/zinc/29/37/62/176293762.db2.gz VPECSFKSULBOID-PWSUYJOCSA-N 2 0 224.373 1.960 20 0 BDADRP C[C@@H]1C[N@H+](CCc2ccccc2)CC[C@@H]1[NH3+] ZINC000022130140 176294607 /nfs/dbraw/zinc/29/46/07/176294607.db2.gz LRHHXVNCKIHDJJ-OCCSQVGLSA-N 2 0 218.344 1.898 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000332031903 176327661 /nfs/dbraw/zinc/32/76/61/176327661.db2.gz SZCWABCKDALOMM-RABLLNBGSA-N 2 0 245.370 1.719 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC1CCOCC1 ZINC000122307774 176367664 /nfs/dbraw/zinc/36/76/64/176367664.db2.gz ZROPDWXAVBUZMA-PWSUYJOCSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@@H]1C[C@@H](C[N@H+](C)C[C@@H]2CC[NH+](C)C2)CC[NH2+]1 ZINC000235379411 176367866 /nfs/dbraw/zinc/36/78/66/176367866.db2.gz MACGMSFOEGFVPY-HZSPNIEDSA-N 3 0 239.407 1.258 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@](C)(O)C2CC2)CC[N@@H+]1C ZINC000309792778 176376400 /nfs/dbraw/zinc/37/64/00/176376400.db2.gz UTHBUSOUNKPSOE-WXHSDQCUSA-N 2 0 226.364 1.220 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357051050 176391520 /nfs/dbraw/zinc/39/15/20/176391520.db2.gz MNTDGPKWGYPJLX-KWCYVHTRSA-N 2 0 222.376 1.964 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000309141589 176397058 /nfs/dbraw/zinc/39/70/58/176397058.db2.gz TYPJUCIIGDKYEH-IJLUTSLNSA-N 2 0 208.349 1.716 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+](C)CC2CCOCC2)CC[NH2+]1 ZINC000235364860 176412802 /nfs/dbraw/zinc/41/28/02/176412802.db2.gz WNIFWKQWSUOAEN-TZMCWYRMSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccncc1 ZINC000336686431 176618251 /nfs/dbraw/zinc/61/82/51/176618251.db2.gz LBCHCCWMWBTGDV-LLVKDONJSA-N 2 0 207.321 1.689 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000336704233 176619469 /nfs/dbraw/zinc/61/94/69/176619469.db2.gz QMYRHPLZCISTIK-OUAUKWLOSA-N 2 0 214.353 1.253 20 0 BDADRP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000331874293 177000051 /nfs/dbraw/zinc/00/00/51/177000051.db2.gz BODSVYTZYIBVOW-ZDEQEGDKSA-N 2 0 228.380 1.643 20 0 BDADRP C[C@H](O)[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000305823741 177009327 /nfs/dbraw/zinc/00/93/27/177009327.db2.gz RRZVZBUWHLZVDN-XQQFMLRXSA-N 2 0 226.364 1.173 20 0 BDADRP C[C@H]1CCN(C)CC[N@@H+]1CC1CC[NH2+]CC1 ZINC000336363463 177156987 /nfs/dbraw/zinc/15/69/87/177156987.db2.gz BEOHRHRTSNKKRM-LBPRGKRZSA-N 2 0 225.380 1.012 20 0 BDADRP C[C@H]1CC[N@H+](C)CCN1C[C@H]1CCC[NH2+]C1 ZINC000336363474 177157037 /nfs/dbraw/zinc/15/70/37/177157037.db2.gz DULVOPPJNQKNIZ-STQMWFEESA-N 2 0 225.380 1.012 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1NCC1([NH3+])CCCCC1 ZINC000333297638 177174206 /nfs/dbraw/zinc/17/42/06/177174206.db2.gz PNQDDLFENNXBFD-STQMWFEESA-N 2 0 239.407 1.626 20 0 BDADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)CCCCCC[NH3+] ZINC000186661686 177175738 /nfs/dbraw/zinc/17/57/38/177175738.db2.gz WNTKPMVNIKVFEH-NWDGAFQWSA-N 2 0 241.379 1.010 20 0 BDADRP C[C@H](CO)C[N@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000678043912 487637290 /nfs/dbraw/zinc/63/72/90/487637290.db2.gz JDEMJAHIDCQLAO-SRVKXCTJSA-N 2 0 214.353 1.029 20 0 BDADRP C[C@H]1CSCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000069760993 177305432 /nfs/dbraw/zinc/30/54/32/177305432.db2.gz SFHYONGJBDWGIJ-RYUDHWBXSA-N 2 0 228.405 1.813 20 0 BDADRP C[C@H]1CSCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000069760987 177305489 /nfs/dbraw/zinc/30/54/89/177305489.db2.gz FHLDLVBBIKCMIF-JTQLQIEISA-N 2 0 214.378 1.423 20 0 BDADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc2c[nH]nc2c1 ZINC000334141052 177324569 /nfs/dbraw/zinc/32/45/69/177324569.db2.gz DOQIKTSGDHRSQX-JQWIXIFHSA-N 2 0 244.342 1.732 20 0 BDADRP C[C@H]1C[C@@H](N(C)Cc2ccnc(N)c2)CC[N@@H+]1C ZINC000298811154 177326458 /nfs/dbraw/zinc/32/64/58/177326458.db2.gz AHCFGWWKDWSEOF-AAEUAGOBSA-N 2 0 248.374 1.578 20 0 BDADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOc1ccccc1 ZINC000042896801 177327189 /nfs/dbraw/zinc/32/71/89/177327189.db2.gz DQPXIWALSRBRSJ-STQMWFEESA-N 2 0 234.343 1.877 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NC1CC[NH+](C)CC1 ZINC000036908600 177330561 /nfs/dbraw/zinc/33/05/61/177330561.db2.gz OYZLVNPZPCHLKQ-MBNYWOFBSA-N 2 0 239.407 1.399 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC(C)(C)CCO ZINC000300412669 177331278 /nfs/dbraw/zinc/33/12/78/177331278.db2.gz UXMYIHMHGIMOHV-FRRDWIJNSA-N 2 0 242.407 1.713 20 0 BDADRP C[C@H]1C[C@H](C[N@H+](C)CC2CCOCC2)CC[NH2+]1 ZINC000235723618 177361245 /nfs/dbraw/zinc/36/12/45/177361245.db2.gz WNIFWKQWSUOAEN-GXTWGEPZSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCc1cccnc1 ZINC000049712942 177365309 /nfs/dbraw/zinc/36/53/09/177365309.db2.gz UJLRIBFFXZPVDK-WCQYABFASA-N 2 0 219.332 1.436 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C2Cc3ccccc3C2)CC[NH2+]1 ZINC000334871109 177369640 /nfs/dbraw/zinc/36/96/40/177369640.db2.gz XVUIFEPVDMYONK-SMDDNHRTSA-N 2 0 230.355 1.884 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCc2ccccn2)CC[N@@H+]1C ZINC000129522179 177370409 /nfs/dbraw/zinc/37/04/09/177370409.db2.gz PMHDAMZRJLRMEV-GXTWGEPZSA-N 2 0 233.359 1.696 20 0 BDADRP C[C@H]1C[C@H]1C[NH2+]CCC1CC[NH+](C)CC1 ZINC000308848157 177382044 /nfs/dbraw/zinc/38/20/44/177382044.db2.gz NBHYKRILXJVPJC-AAEUAGOBSA-N 2 0 210.365 1.964 20 0 BDADRP C[C@H]1C[C@H]1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000488336814 225378352 /nfs/dbraw/zinc/37/83/52/225378352.db2.gz IGQRTXLQWODLEP-STQMWFEESA-N 2 0 240.391 1.685 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCSC2)C1 ZINC000494934024 226271492 /nfs/dbraw/zinc/27/14/92/226271492.db2.gz UPDWJQDWFZOCKJ-NWDGAFQWSA-N 2 0 228.405 1.623 20 0 BDADRP C[C@@H](N[C@@H](C)c1cn[nH]c1)[C@H]1CCC[NH2+]1 ZINC000400381306 226342487 /nfs/dbraw/zinc/34/24/87/226342487.db2.gz KIUFVYQYKOHKHX-IQJOONFLSA-N 2 0 208.309 1.201 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCC[C@H]1CCOC1 ZINC000400541954 226346002 /nfs/dbraw/zinc/34/60/02/226346002.db2.gz KUKJULOLJIJHHQ-HZSPNIEDSA-N 2 0 240.391 1.733 20 0 BDADRP CSCCCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400691870 226349590 /nfs/dbraw/zinc/34/95/90/226349590.db2.gz ZGLAJOQXPXEBMJ-WDEREUQCSA-N 2 0 216.394 1.860 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCC[C@H]1CCOC1 ZINC000401918398 226362925 /nfs/dbraw/zinc/36/29/25/226362925.db2.gz CFDDFMMIXBRNHD-RWMBFGLXSA-N 2 0 226.364 1.520 20 0 BDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662605288 487668196 /nfs/dbraw/zinc/66/81/96/487668196.db2.gz LNQZCDXFVVISRN-SNVBAGLBSA-N 2 0 243.395 1.206 20 0 BDADRP Cn1cncc1CCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000314961873 487669192 /nfs/dbraw/zinc/66/91/92/487669192.db2.gz VMINSILHOCEJIC-TZMCWYRMSA-N 2 0 248.374 1.037 20 0 BDADRP CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)CC1CCC1 ZINC000383844330 487677905 /nfs/dbraw/zinc/67/79/05/487677905.db2.gz ZWGXPSNATFBSNC-CQSZACIVSA-N 2 0 242.407 1.810 20 0 BDADRP C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000308900424 487692961 /nfs/dbraw/zinc/69/29/61/487692961.db2.gz DVSSEIQTJWBEFJ-FIQHERPVSA-N 2 0 228.405 1.988 20 0 BDADRP FCCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000088026317 487699229 /nfs/dbraw/zinc/69/92/29/487699229.db2.gz SOPUWIHJXOQWAU-VXGBXAGGSA-N 2 0 214.328 1.810 20 0 BDADRP C[C@H]1C[C@@H]([NH3+])CCN1CCOCC(F)(F)F ZINC000082627641 487699816 /nfs/dbraw/zinc/69/98/16/487699816.db2.gz VWYGISHUILXXDS-IUCAKERBSA-N 2 0 240.269 1.377 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CCN1CCOCC(F)(F)F ZINC000082627638 487700014 /nfs/dbraw/zinc/70/00/14/487700014.db2.gz VWYGISHUILXXDS-RKDXNWHRSA-N 2 0 240.269 1.377 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C[C@H]2CCCC[C@@H]2O)C1 ZINC000086404552 487720931 /nfs/dbraw/zinc/72/09/31/487720931.db2.gz DHBJHRDCXHSDCT-XQHKEYJVSA-N 2 0 226.364 1.397 20 0 BDADRP CC[N@H+](C[C@@H]1CCC[NH2+]C1)[C@@H]1CCCOC1 ZINC000233553021 487725576 /nfs/dbraw/zinc/72/55/76/487725576.db2.gz JHGIPCPNOWNJRB-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP CC[NH2+]CC1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000053659067 487733441 /nfs/dbraw/zinc/73/34/41/487733441.db2.gz WMOQIXDKHFWUAN-AWEZNQCLSA-N 2 0 240.391 1.877 20 0 BDADRP CC[N@H+](C[C@@H]1CCOC1)C[C@@H]1CCC[NH2+]C1 ZINC000226436242 487745435 /nfs/dbraw/zinc/74/54/35/487745435.db2.gz QWJFMBDKMPTJQX-OLZOCXBDSA-N 2 0 226.364 1.344 20 0 BDADRP C[C@H](C[NH2+][C@H](C)[C@H](C)O)C[NH+]1CCCC1 ZINC000251153240 487749346 /nfs/dbraw/zinc/74/93/46/487749346.db2.gz YMZQAYTXLQNXTI-UTUOFQBUSA-N 2 0 214.353 1.077 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CC2(CO)CC2)[C@@H]2CCC[C@H]21 ZINC000671749743 487765831 /nfs/dbraw/zinc/76/58/31/487765831.db2.gz NCSOZURWYMQWPA-RWMBFGLXSA-N 2 0 238.375 1.221 20 0 BDADRP CC(C)[C@@H]1CN(C[C@@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC000649592834 487766669 /nfs/dbraw/zinc/76/66/69/487766669.db2.gz YHYLBFCTECAFOD-KBPBESRZSA-N 2 0 239.407 1.353 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000675875362 487785406 /nfs/dbraw/zinc/78/54/06/487785406.db2.gz XELHXJGEZRLISO-OUCADQQQSA-N 2 0 242.407 1.713 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)O1 ZINC000229061472 487813742 /nfs/dbraw/zinc/81/37/42/487813742.db2.gz UDXGIRJMVKRDEN-FVCCEPFGSA-N 2 0 226.364 1.471 20 0 BDADRP [NH3+]CCCN1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000414702097 487819020 /nfs/dbraw/zinc/81/90/20/487819020.db2.gz WXBUOHBWCABBRK-CYBMUJFWSA-N 2 0 225.380 1.286 20 0 BDADRP C[C@@H]1C[C@H](c2cccnc2)[N@H+](CCC[NH3+])C1 ZINC000414748522 487821443 /nfs/dbraw/zinc/82/14/43/487821443.db2.gz WRDYGDWUMHDZGH-DGCLKSJQSA-N 2 0 219.332 1.813 20 0 BDADRP CC(C)C[C@@]1(CO)CCC[N@@H+]1CCC[NH3+] ZINC000414751563 487821591 /nfs/dbraw/zinc/82/15/91/487821591.db2.gz APNTYRYTDFMHRD-GFCCVEGCSA-N 2 0 214.353 1.208 20 0 BDADRP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@@H+]2CCC[NH3+])C1 ZINC000414757895 487822066 /nfs/dbraw/zinc/82/20/66/487822066.db2.gz UEVGWICEVMTCLN-RQJABVFESA-N 2 0 240.391 1.597 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2CO)CC1 ZINC000224119458 487822899 /nfs/dbraw/zinc/82/28/99/487822899.db2.gz MTHYKRTYVZDHMQ-TZMCWYRMSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C[NH2+]CCC[NH3+])cc1 ZINC000414809148 487825446 /nfs/dbraw/zinc/82/54/46/487825446.db2.gz GFHSIECARFMJBI-SNVBAGLBSA-N 3 0 207.321 1.145 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(C)nc1 ZINC000414849328 487826009 /nfs/dbraw/zinc/82/60/09/487826009.db2.gz XZTZJQKMMIOIEH-JTQLQIEISA-N 2 0 207.321 1.335 20 0 BDADRP COCCCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252724370 487831225 /nfs/dbraw/zinc/83/12/25/487831225.db2.gz XCGTXMZQEZCTMS-ZIAGYGMSSA-N 2 0 240.391 1.877 20 0 BDADRP [NH3+]CCC[NH2+]CCOc1ccc(F)cc1F ZINC000415084925 487836655 /nfs/dbraw/zinc/83/66/55/487836655.db2.gz PFMCXHVIVYFPQM-UHFFFAOYSA-N 2 0 230.258 1.282 20 0 BDADRP CCOCCC1(C[NH2+]CCC[NH3+])CCCC1 ZINC000415092104 487837403 /nfs/dbraw/zinc/83/74/03/487837403.db2.gz SCJKTUWRICNMSD-UHFFFAOYSA-N 2 0 228.380 1.912 20 0 BDADRP C[N@H+](CCCO)Cc1ccnn1-c1cc[nH+]cc1 ZINC000668103220 487839035 /nfs/dbraw/zinc/83/90/35/487839035.db2.gz FWXGAZXDSVIDKW-UHFFFAOYSA-N 2 0 246.314 1.082 20 0 BDADRP C[C@H](CO)[C@H](C)[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000252966304 487840789 /nfs/dbraw/zinc/84/07/89/487840789.db2.gz XLWMIQIIFHDQCX-FRRDWIJNSA-N 2 0 228.380 1.467 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CCC[C@@H](CCO)C1 ZINC000666638411 487849868 /nfs/dbraw/zinc/84/98/68/487849868.db2.gz LXZPYHRXDVZWRN-QWHCGFSZSA-N 2 0 228.380 1.454 20 0 BDADRP C[C@H]1C[C@H](C[NH2+]C2(CO)CCCCC2)CC[NH2+]1 ZINC000666654995 487852302 /nfs/dbraw/zinc/85/23/02/487852302.db2.gz YHPQYVBUCSTGCF-QWHCGFSZSA-N 2 0 240.391 1.659 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](C)C1CC1 ZINC000234722969 487868640 /nfs/dbraw/zinc/86/86/40/487868640.db2.gz VJTNNMVRYVOMBY-ZYHUDNBSSA-N 2 0 214.353 1.376 20 0 BDADRP CC[N@@H+]1CC[C@H](NC[C@H]2CCCC[NH2+]2)[C@H](C)C1 ZINC000666770362 487877552 /nfs/dbraw/zinc/87/75/52/487877552.db2.gz WECUXOKXTGYLNL-MCIONIFRSA-N 2 0 239.407 1.448 20 0 BDADRP CC[C@H]1C[N@H+](CC2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000403813905 487890532 /nfs/dbraw/zinc/89/05/32/487890532.db2.gz LKFKCGZCJZYCQD-AAEUAGOBSA-N 2 0 226.364 1.485 20 0 BDADRP CC[N@@H+]1CC[C@H](N[C@H]2CCC[NH2+]CC2)[C@H](C)C1 ZINC000666857765 487892239 /nfs/dbraw/zinc/89/22/39/487892239.db2.gz IIJDIUJFZPQFGC-RDBSUJKOSA-N 2 0 239.407 1.448 20 0 BDADRP Cc1ccncc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666954413 487892468 /nfs/dbraw/zinc/89/24/68/487892468.db2.gz WFDQRFUWPVSUTL-CYBMUJFWSA-N 2 0 231.343 1.622 20 0 BDADRP CC[C@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)[C@@H](C)O ZINC000386771032 487894082 /nfs/dbraw/zinc/89/40/82/487894082.db2.gz KJMPQZXULMVDHG-WZRBSPASSA-N 2 0 228.380 1.466 20 0 BDADRP CCCC[C@@H](COC)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666953571 487915242 /nfs/dbraw/zinc/91/52/42/487915242.db2.gz BHNDKZIOOHDADC-QWHCGFSZSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]1CCC[C@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666954544 487916029 /nfs/dbraw/zinc/91/60/29/487916029.db2.gz XSNBUBKGBWCBPA-UTUOFQBUSA-N 2 0 208.349 1.907 20 0 BDADRP CC(C)O[C@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000404662940 487930538 /nfs/dbraw/zinc/93/05/38/487930538.db2.gz XHHAILUZVBISLW-KBPBESRZSA-N 2 0 240.391 1.875 20 0 BDADRP COC[C@@H]1CCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000090515139 487947792 /nfs/dbraw/zinc/94/77/92/487947792.db2.gz AGHFYDJFMWXCEU-ZDUSSCGKSA-N 2 0 226.364 1.487 20 0 BDADRP CC(C)(C)CC[NH2+]CCCN1CC[NH2+]CC1 ZINC000258975984 322880798 /nfs/dbraw/zinc/88/07/98/322880798.db2.gz VSSFBHQGYKVIRZ-UHFFFAOYSA-N 2 0 227.396 1.308 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]Cc1ccnc2ccccc12 ZINC000560942820 322993633 /nfs/dbraw/zinc/99/36/33/322993633.db2.gz MTFONTNFJHXJDR-NSHDSACASA-N 2 0 229.327 1.919 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)COC)[C@@H](C)C1 ZINC000247161032 323012231 /nfs/dbraw/zinc/01/22/31/323012231.db2.gz UEJRSMKBGCPYOA-AVGNSLFASA-N 2 0 228.380 1.589 20 0 BDADRP C[NH+](C)CC1CC[NH+](Cc2ccno2)CC1 ZINC000562257912 323014060 /nfs/dbraw/zinc/01/40/60/323014060.db2.gz WGRLZNCADBPVKR-UHFFFAOYSA-N 2 0 223.320 1.448 20 0 BDADRP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248159253 323016467 /nfs/dbraw/zinc/01/64/67/323016467.db2.gz RWEZERINVUKHGS-ZDEQEGDKSA-N 2 0 228.380 1.466 20 0 BDADRP C[C@@H](O)[C@H]1CCC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000562746407 323029807 /nfs/dbraw/zinc/02/98/07/323029807.db2.gz HDPUDQOASUMIKH-SYQHCUMBSA-N 2 0 240.391 1.467 20 0 BDADRP CC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@@H]1C[C@@H]1C ZINC000397506394 323029967 /nfs/dbraw/zinc/02/99/67/323029967.db2.gz DKAAGVJLFPZILW-XQQFMLRXSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@H](CC[NH3+])NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000562809248 323031082 /nfs/dbraw/zinc/03/10/82/323031082.db2.gz IMEYSVMOAKCAHN-YPMHNXCESA-N 2 0 249.358 1.320 20 0 BDADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCC[NH3+])c1 ZINC000570199901 323052711 /nfs/dbraw/zinc/05/27/11/323052711.db2.gz DVXNTNPZRZAFGS-GFCCVEGCSA-N 2 0 249.358 1.651 20 0 BDADRP CC[C@H]([NH2+]CCOCC[NH3+])c1c(C)noc1C ZINC000570451267 323059904 /nfs/dbraw/zinc/05/99/04/323059904.db2.gz CHFHTTHFPVKOPM-NSHDSACASA-N 2 0 241.335 1.307 20 0 BDADRP CN(Cc1cncn1C)C[C@@H]1CCC[N@H+](C)C1 ZINC000177079682 323077052 /nfs/dbraw/zinc/07/70/52/323077052.db2.gz ZYELJMVGZSBJSN-GFCCVEGCSA-N 2 0 236.363 1.194 20 0 BDADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)C(C)(C)C)C1 ZINC000563007273 323079493 /nfs/dbraw/zinc/07/94/93/323079493.db2.gz HQKXIUOXBVPTPQ-STQMWFEESA-N 2 0 242.407 1.715 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2)CC[N@@H+]1C ZINC000563154160 323095720 /nfs/dbraw/zinc/09/57/20/323095720.db2.gz PVMGZFORPFZWFD-DOMZBBRYSA-N 3 0 247.386 1.718 20 0 BDADRP CC(C)[C@H](O)CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000571038344 323104422 /nfs/dbraw/zinc/10/44/22/323104422.db2.gz MNGRVQWCPJJGLA-YNEHKIRRSA-N 2 0 228.380 1.371 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCC[C@H]2O)C1 ZINC000567123325 323119729 /nfs/dbraw/zinc/11/97/29/323119729.db2.gz DHBJHRDCXHSDCT-UMSGYPCISA-N 2 0 226.364 1.397 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](CO)c2ccsc2)C1 ZINC000563423741 323124221 /nfs/dbraw/zinc/12/42/21/323124221.db2.gz IVBSAVIEKYECEP-WOPDTQHZSA-N 2 0 240.372 1.641 20 0 BDADRP CCn1ccnc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000563452389 323126578 /nfs/dbraw/zinc/12/65/78/323126578.db2.gz FYTYJUINUNZXBY-GFCCVEGCSA-N 2 0 236.363 1.525 20 0 BDADRP CC[NH2+]CCCN[C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000571394685 323143323 /nfs/dbraw/zinc/14/33/23/323143323.db2.gz ANSKQUVVIYXWGQ-ZFWWWQNUSA-N 2 0 249.402 1.534 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)Cc2ccccc2)C1 ZINC000571416567 323144343 /nfs/dbraw/zinc/14/43/43/323144343.db2.gz GQYMPYXRLDRSHO-KFWWJZLASA-N 2 0 248.370 1.450 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]C[C@@H](O)Cc2ccccc2)C1 ZINC000571416568 323144355 /nfs/dbraw/zinc/14/43/55/323144355.db2.gz GQYMPYXRLDRSHO-KKUMJFAQSA-N 2 0 248.370 1.450 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CCCC[C@H]1C[NH3+] ZINC000414658854 323151074 /nfs/dbraw/zinc/15/10/74/323151074.db2.gz RRVQEEVLPRFMPB-NEPJUHHUSA-N 2 0 213.369 1.173 20 0 BDADRP COC[C@@H]([NH2+][C@H](C)CCCC[NH3+])C1CC1 ZINC000397261555 323151667 /nfs/dbraw/zinc/15/16/67/323151667.db2.gz SUMLGYOBIQFRRK-ZYHUDNBSSA-N 2 0 214.353 1.519 20 0 BDADRP CC(C)[C@@H](C(=O)NCC[N@H+](C)C(C)C)[C@H](C)[NH3+] ZINC000399377391 323205275 /nfs/dbraw/zinc/20/52/75/323205275.db2.gz BREXNHKAEMDZRS-NWDGAFQWSA-N 2 0 243.395 1.062 20 0 BDADRP CCc1cccc(OCCN2CCC[NH2+]CC2)c1 ZINC000041302301 323206872 /nfs/dbraw/zinc/20/68/72/323206872.db2.gz APSLYXNNTNBFFH-UHFFFAOYSA-N 2 0 248.370 1.923 20 0 BDADRP COc1ccc(CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000530219337 323217813 /nfs/dbraw/zinc/21/78/13/323217813.db2.gz JCFYTUCHFYXBLS-OLZOCXBDSA-N 2 0 249.358 1.492 20 0 BDADRP C[C@H](CCc1ccco1)[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000309125175 323318276 /nfs/dbraw/zinc/31/82/76/323318276.db2.gz WALLEHHLKNDVTB-OUAUKWLOSA-N 2 0 210.321 1.926 20 0 BDADRP CC[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000309253549 323332831 /nfs/dbraw/zinc/33/28/31/323332831.db2.gz NRQDEHOMIAYHDP-STQMWFEESA-N 2 0 228.380 1.421 20 0 BDADRP CC[C@H]1CCC[N@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000309253545 323332948 /nfs/dbraw/zinc/33/29/48/323332948.db2.gz NRQDEHOMIAYHDP-QWHCGFSZSA-N 2 0 228.380 1.421 20 0 BDADRP CN(C[C@H](O)C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC000563953326 323333764 /nfs/dbraw/zinc/33/37/64/323333764.db2.gz HZWMOYMZHYJXDT-CYBMUJFWSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@@H](NCC1=CC[N@H+](C)CC1)[C@H]1CCCC[NH2+]1 ZINC000392272985 323376739 /nfs/dbraw/zinc/37/67/39/323376739.db2.gz FBXCSYIPIUSSIP-TZMCWYRMSA-N 2 0 237.391 1.369 20 0 BDADRP CC(C)[NH2+]CCC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000564074290 323424133 /nfs/dbraw/zinc/42/41/33/323424133.db2.gz RQDYPUSQSAGJBG-RYUDHWBXSA-N 2 0 214.353 1.532 20 0 BDADRP CC[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)C1CCOCC1 ZINC000521736677 324191812 /nfs/dbraw/zinc/19/18/12/324191812.db2.gz UVWXTPMYMILRFU-GXTWGEPZSA-N 2 0 242.407 1.979 20 0 BDADRP COc1ccc(CC[NH2+]C2CCC([NH3+])CC2)cn1 ZINC000530218031 324534836 /nfs/dbraw/zinc/53/48/36/324534836.db2.gz DQTIRXQUMMJDGB-UHFFFAOYSA-N 2 0 249.358 1.492 20 0 BDADRP Cc1ncccc1C[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000530243943 324554958 /nfs/dbraw/zinc/55/49/58/324554958.db2.gz IXKDDERJZFHGOT-DGCLKSJQSA-N 2 0 233.359 1.868 20 0 BDADRP C[N@H+](CCNC(=O)C(C)(C)[NH3+])C1CCCCC1 ZINC000077388846 325376935 /nfs/dbraw/zinc/37/69/35/325376935.db2.gz MCVHZLCCDLKRLK-UHFFFAOYSA-N 2 0 241.379 1.104 20 0 BDADRP CC(C)C[C@@H]([NH3+])c1noc(CC[NH2+]C(C)C)n1 ZINC000564959575 325835036 /nfs/dbraw/zinc/83/50/36/325835036.db2.gz NEHCDGPEGJUFCP-SNVBAGLBSA-N 2 0 240.351 1.656 20 0 BDADRP C[NH2+]C[C@](C)(O)C[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000565092822 325856812 /nfs/dbraw/zinc/85/68/12/325856812.db2.gz HGEIMXFDMCBNDA-MCIONIFRSA-N 2 0 242.407 1.761 20 0 BDADRP COC[C@@H](C)C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000565880061 325969120 /nfs/dbraw/zinc/96/91/20/325969120.db2.gz FQIAHGBCIOXXJV-NWDGAFQWSA-N 2 0 214.353 1.248 20 0 BDADRP CC[NH+]1CCC([NH2+]CCC2(COC)CC2)CC1 ZINC000566222474 326017778 /nfs/dbraw/zinc/01/77/78/326017778.db2.gz YXIJETQCNWNDDU-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP CCCCNC(=O)CC[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000566411895 326041139 /nfs/dbraw/zinc/04/11/39/326041139.db2.gz MSQJWVGNFLCSCG-RYUDHWBXSA-N 2 0 241.379 1.104 20 0 BDADRP Cc1cccc(CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000566483341 326056341 /nfs/dbraw/zinc/05/63/41/326056341.db2.gz VBLHJMCRDWNMOJ-OCCSQVGLSA-N 2 0 233.359 1.792 20 0 BDADRP Cc1cccc(CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000566483340 326056482 /nfs/dbraw/zinc/05/64/82/326056482.db2.gz VBLHJMCRDWNMOJ-JSGCOSHPSA-N 2 0 233.359 1.792 20 0 BDADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCCC2(CCCC2)C1 ZINC000566625286 326069471 /nfs/dbraw/zinc/06/94/71/326069471.db2.gz LAJNUZGDWOOWKM-CYBMUJFWSA-N 2 0 240.391 1.613 20 0 BDADRP c1nc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)co1 ZINC000566678680 326073610 /nfs/dbraw/zinc/07/36/10/326073610.db2.gz HUTUVBAVGQGXMM-NWDGAFQWSA-N 2 0 235.331 1.496 20 0 BDADRP C[C@@H]1CCC[N@H+](CCN[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000566689806 326075362 /nfs/dbraw/zinc/07/53/62/326075362.db2.gz VKEDBPZXVWWSSW-MCIONIFRSA-N 3 0 239.407 1.578 20 0 BDADRP CC(C)[NH2+]CCC[NH2+][C@@H](C)CCC[NH3+] ZINC000566849759 326087208 /nfs/dbraw/zinc/08/72/08/326087208.db2.gz CIMRDUCYSQTJRE-NSHDSACASA-N 3 0 201.358 1.092 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H](F)C1)[C@@H]1CCC[NH2+]1 ZINC000566856208 326088697 /nfs/dbraw/zinc/08/86/97/326088697.db2.gz SRWCPVOTBCEITE-QCNOEVLYSA-N 2 0 214.328 1.997 20 0 BDADRP C[N@H+](CCCC[NH2+]CC1(O)CCCC1)C1CC1 ZINC000566969080 326096350 /nfs/dbraw/zinc/09/63/50/326096350.db2.gz SEXUMCWQVVSIPT-UHFFFAOYSA-N 2 0 240.391 1.756 20 0 BDADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CO[C@H](C)C1 ZINC000566974495 326098629 /nfs/dbraw/zinc/09/86/29/326098629.db2.gz XNLITMPBEPYYEI-CDMKHQONSA-N 2 0 249.358 1.677 20 0 BDADRP CC[NH+]1CCC(CC[NH2+]C[C@H](C)O)CC1 ZINC000567228137 326146364 /nfs/dbraw/zinc/14/63/64/326146364.db2.gz IFURHXWQHVNCLQ-NSHDSACASA-N 2 0 214.353 1.079 20 0 BDADRP CC[C@](C)(O)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000154490552 326146397 /nfs/dbraw/zinc/14/63/97/326146397.db2.gz PRLLKWRBMBJHGJ-AWEZNQCLSA-N 2 0 240.391 1.611 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[C@H]([NH3+])C[C@@H]1C ZINC000567482890 326201896 /nfs/dbraw/zinc/20/18/96/326201896.db2.gz APVBIDLBCRYNGQ-SRVKXCTJSA-N 2 0 213.369 1.171 20 0 BDADRP CC[C@H]1CCC[C@@H]1NCc1noc(CN)n1 ZINC000567386766 326181058 /nfs/dbraw/zinc/18/10/58/326181058.db2.gz CUTDOODNWXHLES-IUCAKERBSA-N 2 0 224.308 1.197 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H](C)[C@H]2CCCO2)CC1 ZINC000310249350 326187961 /nfs/dbraw/zinc/18/79/61/326187961.db2.gz FNTWFMBZGNEJTF-TZMCWYRMSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000567646070 326238126 /nfs/dbraw/zinc/23/81/26/326238126.db2.gz SAYXFQZCFAKYDU-PPCPHDFISA-N 2 0 226.364 1.673 20 0 BDADRP COCC1(CC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000567893749 326278402 /nfs/dbraw/zinc/27/84/02/326278402.db2.gz TVBGNXKSBMZZJH-QWHCGFSZSA-N 2 0 240.391 1.910 20 0 BDADRP CSC[C@H](O)C[NH2+]CCC1CC[NH+](C)CC1 ZINC000568078103 326305343 /nfs/dbraw/zinc/30/53/43/326305343.db2.gz GEWOOOUBQRQXKJ-GFCCVEGCSA-N 2 0 246.420 1.032 20 0 BDADRP CC[C@H]1C[N@H+](C)CCN1CC[NH+]1CCCCC1 ZINC000568080404 326305668 /nfs/dbraw/zinc/30/56/68/326305668.db2.gz DZFUOOGDLWKCBT-AWEZNQCLSA-N 2 0 239.407 1.498 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCOCC2CCC2)C1 ZINC000568247187 326333737 /nfs/dbraw/zinc/33/37/37/326333737.db2.gz DSIXOKBLYRXENV-QWHCGFSZSA-N 2 0 226.364 1.663 20 0 BDADRP Cc1cnc(CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000568248442 326334298 /nfs/dbraw/zinc/33/42/98/326334298.db2.gz QQJKUNQMSSJJMN-NWDGAFQWSA-N 2 0 234.347 1.187 20 0 BDADRP CN(CCC[NH+]1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000568632413 326369429 /nfs/dbraw/zinc/36/94/29/326369429.db2.gz QGTJBKVBFFBWSH-ZDUSSCGKSA-N 2 0 225.380 1.156 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]CC2CC[NH2+]CC2)C1 ZINC000568761726 326375778 /nfs/dbraw/zinc/37/57/78/326375778.db2.gz GRKMBDVLMIIFOU-CHWSQXEVSA-N 3 0 225.380 1.093 20 0 BDADRP OCC[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)C1CC1 ZINC000568771807 326376801 /nfs/dbraw/zinc/37/68/01/326376801.db2.gz GPUQSLRCAFWYFP-UHFFFAOYSA-N 2 0 246.354 1.289 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCOCC1CCC1 ZINC000573197711 326434664 /nfs/dbraw/zinc/43/46/64/326434664.db2.gz VVOMZCCBXFRIMZ-TZMCWYRMSA-N 2 0 240.391 1.781 20 0 BDADRP CC(C)(CO)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000135080730 488013584 /nfs/dbraw/zinc/01/35/84/488013584.db2.gz QPEUSBGGYGHMHJ-RWMBFGLXSA-N 2 0 240.391 1.515 20 0 BDADRP CC[NH2+][C@H](C)CNC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000449502069 488020337 /nfs/dbraw/zinc/02/03/37/488020337.db2.gz QWNOIVZSMSKGPY-GRYCIOLGSA-N 2 0 241.379 1.008 20 0 BDADRP CCOCC[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000147435725 488023657 /nfs/dbraw/zinc/02/36/57/488023657.db2.gz YRYLSENWZNCVFI-MNOVXSKESA-N 2 0 200.326 1.082 20 0 BDADRP CC[C@@H]1C[N@H+](CC[C@@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000147449129 488024383 /nfs/dbraw/zinc/02/43/83/488024383.db2.gz SZTMSVLJDDDWEF-AGIUHOORSA-N 2 0 226.364 1.615 20 0 BDADRP COC[C@H](C)C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000045706807 488026668 /nfs/dbraw/zinc/02/66/68/488026668.db2.gz NTVNTMFXQSKBCA-VWYCJHECSA-N 2 0 200.326 1.081 20 0 BDADRP CC[C@@H](O)C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000229971284 488029194 /nfs/dbraw/zinc/02/91/94/488029194.db2.gz YSYJIDAWXDDHMJ-RWMBFGLXSA-N 2 0 228.380 1.658 20 0 BDADRP Cc1csc(CC[NH2+][C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000084221767 488038588 /nfs/dbraw/zinc/03/85/88/488038588.db2.gz OIGBYRWSIAUOEA-MNOVXSKESA-N 2 0 239.388 1.711 20 0 BDADRP COCC(C)(C)C[NH+]1CCC(C[NH3+])CC1 ZINC000143070528 488052199 /nfs/dbraw/zinc/05/21/99/488052199.db2.gz VHDMYINYTDCBMM-UHFFFAOYSA-N 2 0 214.353 1.330 20 0 BDADRP C[C@]1(CN2CCO[C@](C)(C(F)F)C2)CC[NH2+]C1 ZINC000663515094 488058402 /nfs/dbraw/zinc/05/84/02/488058402.db2.gz ZYKYELNTCTVXMR-RYUDHWBXSA-N 2 0 248.317 1.342 20 0 BDADRP CC(C)CC[N@H+](C[C@H]1CNCCO1)C1CC1 ZINC000109588387 488058555 /nfs/dbraw/zinc/05/85/55/488058555.db2.gz UAKKOHIMFVJMIR-CYBMUJFWSA-N 2 0 226.364 1.485 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000656200790 488066461 /nfs/dbraw/zinc/06/64/61/488066461.db2.gz QQZBRYDOQDFLRX-VEFJFZMTSA-N 3 0 237.391 1.199 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000656200812 488067004 /nfs/dbraw/zinc/06/70/04/488067004.db2.gz QZYUDBPYTMPMCE-FQUUOJAGSA-N 3 0 239.407 1.434 20 0 BDADRP C[C@H](COCC1CC1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000656200633 488066825 /nfs/dbraw/zinc/06/68/25/488066825.db2.gz SREYKBRNBRJMGJ-KGYLQXTDSA-N 2 0 226.364 1.661 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000389467086 488097648 /nfs/dbraw/zinc/09/76/48/488097648.db2.gz UBSRJWWTUICBRL-IHRRRGAJSA-N 2 0 239.407 1.578 20 0 BDADRP Cc1cncc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000402844334 488103910 /nfs/dbraw/zinc/10/39/10/488103910.db2.gz PYHIVCZISGXSMR-CHWSQXEVSA-N 2 0 248.374 1.400 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)CC(C)(C)[NH3+])c1 ZINC000669509207 488109248 /nfs/dbraw/zinc/10/92/48/488109248.db2.gz HMWBAIUITUBBIW-UHFFFAOYSA-N 2 0 235.331 1.472 20 0 BDADRP CCC[NH2+][C@@H](C)C(=O)Nc1cccc(C[NH3+])c1 ZINC000669508337 488108963 /nfs/dbraw/zinc/10/89/63/488108963.db2.gz MPDQXBFOBORWAZ-JTQLQIEISA-N 2 0 235.331 1.472 20 0 BDADRP CC(C)(C[NH3+])NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000669510495 488112542 /nfs/dbraw/zinc/11/25/42/488112542.db2.gz UPUIZHDCWXZBLM-GFCCVEGCSA-N 2 0 249.358 1.320 20 0 BDADRP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000168164282 488131335 /nfs/dbraw/zinc/13/13/35/488131335.db2.gz FZPVMMZROJMQDS-ZRUFSTJUSA-N 2 0 212.337 1.005 20 0 BDADRP C[NH+](C)[C@H]1CCC[N@@H+]([C@H]2CCCOC2)CC1 ZINC000683228095 488133706 /nfs/dbraw/zinc/13/37/06/488133706.db2.gz SMXQBZSNOLNVNJ-STQMWFEESA-N 2 0 226.364 1.582 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCCOC2)C1 ZINC000674301989 487554860 /nfs/dbraw/zinc/55/48/60/487554860.db2.gz IJIWRWVVPXPNIV-NWDGAFQWSA-N 2 0 212.337 1.049 20 0 BDADRP CCN(C)C[C@H](O)C[N@@H+]1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000399710074 487496640 /nfs/dbraw/zinc/49/66/40/487496640.db2.gz YIHFSEHRVWDOMB-RNJOBUHISA-N 2 0 228.380 1.275 20 0 BDADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000304656473 487513440 /nfs/dbraw/zinc/51/34/40/487513440.db2.gz ZDQCQZSIEMXVKZ-YNEHKIRRSA-N 2 0 226.364 1.343 20 0 BDADRP Cc1nocc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000662267794 487509398 /nfs/dbraw/zinc/50/93/98/487509398.db2.gz YTQJAHXYBKQJPR-CYZMBNFOSA-N 2 0 235.331 1.542 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[C@@H](O)C2)C1 ZINC000300376566 487510305 /nfs/dbraw/zinc/51/03/05/487510305.db2.gz LMWXXQQTELARQU-WHOHXGKFSA-N 2 0 212.337 1.007 20 0 BDADRP Cc1nocc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000662274261 487522942 /nfs/dbraw/zinc/52/29/42/487522942.db2.gz SJONQBIKAPVXBY-STQMWFEESA-N 2 0 249.358 1.805 20 0 BDADRP C[C@H](O)C[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000666128665 487525155 /nfs/dbraw/zinc/52/51/55/487525155.db2.gz SXTZWCJYUFAAKD-XQQFMLRXSA-N 2 0 228.380 1.325 20 0 BDADRP Cc1nc(CN2C[C@H](C[NH3+])C[C@@H]2C)co1 ZINC000381869449 487525742 /nfs/dbraw/zinc/52/57/42/487525742.db2.gz KHWWZLVHKJSOIB-WPRPVWTQSA-N 2 0 209.293 1.152 20 0 BDADRP Cc1cc(N2CC[NH+](C(C)(C)CO)CC2)cc[nH+]1 ZINC000681386288 487789928 /nfs/dbraw/zinc/78/99/28/487789928.db2.gz SEQZYZNBHUYMEI-UHFFFAOYSA-N 2 0 249.358 1.283 20 0 BDADRP C[C@@H]1CCN(CC[NH2+][C@@H]2CO[C@H](C3CC3)C2)C1 ZINC000667934549 488161764 /nfs/dbraw/zinc/16/17/64/488161764.db2.gz OKHCGRMHPUYKIP-XBFCOCLRSA-N 2 0 238.375 1.485 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cnc3n2CCC3)CC[C@@H]1O ZINC000668011439 488184277 /nfs/dbraw/zinc/18/42/77/488184277.db2.gz BBJDMYOPGSENOX-PWSUYJOCSA-N 2 0 235.331 1.032 20 0 BDADRP Cc1ncc(C[N@H+](CC(C)(C)O)C2CC2)n1C ZINC000668011931 488184739 /nfs/dbraw/zinc/18/47/39/488184739.db2.gz OGZJDOXVTZJSTA-UHFFFAOYSA-N 2 0 237.347 1.464 20 0 BDADRP CC[N@H+](CC[C@@H]1CCC[NH+]1C)C[C@H]1CCOC1 ZINC000678073240 488192302 /nfs/dbraw/zinc/19/23/02/488192302.db2.gz OGYTXIUZDUWFEF-KGLIPLIRSA-N 2 0 240.391 1.829 20 0 BDADRP c1n[nH]cc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000678139127 488205166 /nfs/dbraw/zinc/20/51/66/488205166.db2.gz KICWOCBWANTANG-UHFFFAOYSA-N 2 0 248.374 1.718 20 0 BDADRP CN(CC[NH+](C)C)c1cc[nH+]c2c(O)cccc12 ZINC000684575529 488328606 /nfs/dbraw/zinc/32/86/06/488328606.db2.gz ULIIOAVIFTXTBY-UHFFFAOYSA-N 2 0 245.326 1.938 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)CCCCO)C1 ZINC000679340020 488341831 /nfs/dbraw/zinc/34/18/31/488341831.db2.gz MYYYOBLAOVTHAT-ZIAGYGMSSA-N 2 0 242.407 1.859 20 0 BDADRP C[C@@H](CCn1cccn1)[NH2+][C@H]1CCCN(C)C1 ZINC000679384825 488348884 /nfs/dbraw/zinc/34/88/84/488348884.db2.gz ANFWBEKMVUHLHT-STQMWFEESA-N 2 0 236.363 1.346 20 0 BDADRP CCC[C@H]([NH3+])C(=O)NCC1([NH+](C)C)CCCC1 ZINC000110374522 490105588 /nfs/dbraw/zinc/10/55/88/490105588.db2.gz GFEICUNAUXUQFA-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP CC[NH+](CC)[C@@H]1CCN(C[C@H]([NH3+])CC(C)C)C1 ZINC000110370700 490105609 /nfs/dbraw/zinc/10/56/09/490105609.db2.gz UGBODMRROPPQCI-ZIAGYGMSSA-N 2 0 241.423 1.776 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@H]2CCCOC2)CC1 ZINC000069606462 490175123 /nfs/dbraw/zinc/17/51/23/490175123.db2.gz YRUOLTOYKGFCPG-LBPRGKRZSA-N 2 0 212.337 1.097 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]CCC[NH+](C)C)C1 ZINC000069847048 490190112 /nfs/dbraw/zinc/19/01/12/490190112.db2.gz PHDNQOFYJAQKLQ-NWDGAFQWSA-N 2 0 214.353 1.485 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000069890338 490191320 /nfs/dbraw/zinc/19/13/20/490191320.db2.gz ITGUKENWRWCALI-VXGBXAGGSA-N 2 0 228.380 1.874 20 0 BDADRP C[C@H](C[NH2+][C@H]1CCCOC1)C[NH+]1CCCC1 ZINC000070014412 490197733 /nfs/dbraw/zinc/19/77/33/490197733.db2.gz SBQDHMBBGMFBIR-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](C)CC2)C1 ZINC000070327334 490208271 /nfs/dbraw/zinc/20/82/71/490208271.db2.gz OHALIQMGWXNSLY-UONOGXRCSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H](C[NH2+][C@H]1CCCOC1)C[NH+]1CCCCC1 ZINC000070464857 490215869 /nfs/dbraw/zinc/21/58/69/490215869.db2.gz XCOFYJDWYKDMKI-KGLIPLIRSA-N 2 0 240.391 1.877 20 0 BDADRP [NH3+]CCC[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000415121858 490214817 /nfs/dbraw/zinc/21/48/17/490214817.db2.gz KYLFOKRPWZSZRP-CHWSQXEVSA-N 2 0 220.316 1.143 20 0 BDADRP C[C@H]1CCNC[C@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000335516677 490394814 /nfs/dbraw/zinc/39/48/14/490394814.db2.gz RZHINHCZPVQNDU-GFJIZPEISA-N 2 0 239.407 1.447 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@H](O)[C@H](C)CC)CC1 ZINC000305107786 490434600 /nfs/dbraw/zinc/43/46/00/490434600.db2.gz DOJPZVYUADANIU-OCCSQVGLSA-N 2 0 242.407 1.857 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)CO)[C@H](C)C1 ZINC000131072320 490484777 /nfs/dbraw/zinc/48/47/77/490484777.db2.gz IWTSZTYEOWJOQJ-VXGBXAGGSA-N 2 0 228.380 1.325 20 0 BDADRP C[C@H]([NH2+][C@H]1CCO[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000300415844 490560179 /nfs/dbraw/zinc/56/01/79/490560179.db2.gz ZTPVHBCJEQHNKI-DYEKYZERSA-N 2 0 240.391 1.874 20 0 BDADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]CCC[NH+](C)C)C[C@H]2C1 ZINC000424266950 491075522 /nfs/dbraw/zinc/07/55/22/491075522.db2.gz XOAAOJPYQNHLKW-COVPZLACSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@H]([NH2+]CC1(O)CCCC1)C1CC[NH+](C)CC1 ZINC000087016214 491065384 /nfs/dbraw/zinc/06/53/84/491065384.db2.gz JXSBCARIZZIQSD-LBPRGKRZSA-N 2 0 240.391 1.611 20 0 BDADRP Cc1ccc2ncc(C[NH2+][C@@H](C)C(C)(C)O)n2c1 ZINC000676416120 491101985 /nfs/dbraw/zinc/10/19/85/491101985.db2.gz IFLPZBGWTKFDCV-NSHDSACASA-N 2 0 247.342 1.892 20 0 BDADRP CC(C)(C)[NH2+]CCNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000653346761 491106614 /nfs/dbraw/zinc/10/66/14/491106614.db2.gz GLSXDIFXAFKCLR-WDEREUQCSA-N 2 0 241.379 1.008 20 0 BDADRP CCC[NH2+]CCNC1CC[NH+](C(C)(C)C)CC1 ZINC000414862873 491111577 /nfs/dbraw/zinc/11/15/77/491111577.db2.gz BDBYZSSZJQMZKX-UHFFFAOYSA-N 2 0 241.423 1.839 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)CCCCO ZINC000309381691 491147716 /nfs/dbraw/zinc/14/77/16/491147716.db2.gz SAUGKNWZFLLQSD-ZDUSSCGKSA-N 2 0 230.396 1.857 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H](CCO)C(C)C)CC1 ZINC000224194822 491149198 /nfs/dbraw/zinc/14/91/98/491149198.db2.gz GTIHRGKKDMCGIW-AWEZNQCLSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@@H](CCCCO)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000309810842 491156401 /nfs/dbraw/zinc/15/64/01/491156401.db2.gz YXSHRFSJYPRXRN-STQMWFEESA-N 2 0 228.380 1.469 20 0 BDADRP C[C@@H](O)CC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000082992999 491158291 /nfs/dbraw/zinc/15/82/91/491158291.db2.gz CNWPGQWOMQWXEA-MNOVXSKESA-N 2 0 214.353 1.077 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000488435000 533727343 /nfs/dbraw/zinc/72/73/43/533727343.db2.gz QNTVEOMUSNBCAM-MGPQQGTHSA-N 2 0 240.391 1.325 20 0 BDADRP C[C@H](CC(C)(C)O)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400750966 533731228 /nfs/dbraw/zinc/73/12/28/533731228.db2.gz VOLOUUZAISCANE-GMTAPVOTSA-N 2 0 214.353 1.266 20 0 BDADRP C[C@H](NC1CC[NH+](C2CC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000400400145 533809520 /nfs/dbraw/zinc/80/95/20/533809520.db2.gz PMUWQTQYVMTWLN-FZMZJTMJSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@H]([NH2+]CCC(C)(C)CO)[C@@H]1CCC[NH2+]1 ZINC000400752695 533840207 /nfs/dbraw/zinc/84/02/07/533840207.db2.gz WDEBHTSKPRAJSK-QWRGUYRKSA-N 2 0 214.353 1.125 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCOCC2)[C@H]1C ZINC000494919951 533944742 /nfs/dbraw/zinc/94/47/42/533944742.db2.gz FQCYHELFPNKOCV-RDBSUJKOSA-N 2 0 240.391 1.733 20 0 BDADRP [NH3+]CCCCCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000846220784 582652501 /nfs/dbraw/zinc/65/25/01/582652501.db2.gz QBNOQBHYGRIZPH-OKILXGFUSA-N 3 0 239.407 1.437 20 0 BDADRP CCOCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000084216111 535628077 /nfs/dbraw/zinc/62/80/77/535628077.db2.gz BONGANRAPBWHLJ-MNOVXSKESA-N 2 0 200.326 1.130 20 0 BDADRP C[C@@H](C[NH2+]CC[C@H]1CCOC1)C[NH+]1CCCC1 ZINC000400535317 534058975 /nfs/dbraw/zinc/05/89/75/534058975.db2.gz IXVQWYYSRGGQNG-KBPBESRZSA-N 2 0 240.391 1.735 20 0 BDADRP C[NH+](C)[C@H]1CCC[N@H+](CC2CCOCC2)CC1 ZINC000336119418 536135761 /nfs/dbraw/zinc/13/57/61/536135761.db2.gz NAQMRNHHZWFPMM-AWEZNQCLSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@@H]1[N@H+](CC2CC[NH+](C)CC2)CCOC1(C)C ZINC000892068414 582783526 /nfs/dbraw/zinc/78/35/26/582783526.db2.gz NEQMXMWODARTNY-LBPRGKRZSA-N 2 0 240.391 1.828 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](CO)C1 ZINC000225974689 536353478 /nfs/dbraw/zinc/35/34/78/536353478.db2.gz AFBUHSODFOFKFZ-CHWSQXEVSA-N 2 0 226.364 1.175 20 0 BDADRP CC(C)(C)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000257680728 534606031 /nfs/dbraw/zinc/60/60/31/534606031.db2.gz GXOVKIPWUKIJEY-LBPRGKRZSA-N 2 0 225.380 1.012 20 0 BDADRP CC(C)(C)C[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000226067682 534650683 /nfs/dbraw/zinc/65/06/83/534650683.db2.gz OWIFFZGPMKJYDD-AGIUHOORSA-N 2 0 242.407 1.891 20 0 BDADRP CC(C)(C)[NH2+]CCN1CC[NH+](C2CCC2)CC1 ZINC000262240072 534720788 /nfs/dbraw/zinc/72/07/88/534720788.db2.gz OZNLCALXYJKVMP-UHFFFAOYSA-N 2 0 239.407 1.545 20 0 BDADRP C[NH+](C)CCC[NH2+]C[C@H]1C[C@]1(C)Br ZINC000892430055 582885162 /nfs/dbraw/zinc/88/51/62/582885162.db2.gz ZLTHHACEEACXFZ-ZJUUUORDSA-N 2 0 249.196 1.701 20 0 BDADRP C1[NH2+]C[C@@H]2C[C@H]([NH2+]C3CCSCC3)CC[C@@H]12 ZINC000401032346 526423803 /nfs/dbraw/zinc/42/38/03/526423803.db2.gz QCQLVKDUOAUAIE-GMXVVIOVSA-N 2 0 240.416 1.860 20 0 BDADRP CC(C)C1CC([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000488431711 527627801 /nfs/dbraw/zinc/62/78/01/527627801.db2.gz OIIWROQEXLGECV-JXQTWKCFSA-N 2 0 240.391 1.467 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400344730 528180124 /nfs/dbraw/zinc/18/01/24/528180124.db2.gz INWDJZKYMWWXOZ-XQQFMLRXSA-N 2 0 227.396 1.447 20 0 BDADRP CC(C)[N@H+](C)CCN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400551017 528824266 /nfs/dbraw/zinc/82/42/66/528824266.db2.gz XNPGPEOOHWBGTA-RYUDHWBXSA-N 2 0 213.369 1.057 20 0 BDADRP CC(C)[NH+]1CCC(N[C@@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000400746022 529001992 /nfs/dbraw/zinc/00/19/92/529001992.db2.gz UMMJTXWOOXXQQH-GXTWGEPZSA-N 2 0 239.407 1.589 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCOC[C@H]2C)C1 ZINC000249107069 534958287 /nfs/dbraw/zinc/95/82/87/534958287.db2.gz PTBSYXJZTINQMW-MCIONIFRSA-N 2 0 240.391 1.733 20 0 BDADRP CC(C)[C@H](CO)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227542082 535038282 /nfs/dbraw/zinc/03/82/82/535038282.db2.gz DOTDWQFRHDVYEW-MCIONIFRSA-N 2 0 234.343 1.738 20 0 BDADRP CC1(CO)CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000334319955 535162223 /nfs/dbraw/zinc/16/22/23/535162223.db2.gz YWYWNBQKBYJLPZ-UHFFFAOYSA-N 2 0 226.364 1.080 20 0 BDADRP CC(C)[C@H]1CCCC[N@@H+]1CCOCC[NH3+] ZINC000261582486 535176593 /nfs/dbraw/zinc/17/65/93/535176593.db2.gz OJLAMPWZEBMRHP-GFCCVEGCSA-N 2 0 214.353 1.472 20 0 BDADRP CC[NH2+]CC1CC[NH+](C[C@H]2C[C@H]2C)CC1 ZINC000261554755 535457735 /nfs/dbraw/zinc/45/77/35/535457735.db2.gz UMLVXZJWNJPQGS-DGCLKSJQSA-N 2 0 210.365 1.964 20 0 BDADRP CC[NH+](CC)CCCN1C[C@H](C)[NH2+]C[C@H]1C ZINC000249921935 535510334 /nfs/dbraw/zinc/51/03/34/535510334.db2.gz AZFWAXBYHHDTHF-QWHCGFSZSA-N 2 0 227.396 1.401 20 0 BDADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CCCO ZINC000348325826 535593124 /nfs/dbraw/zinc/59/31/24/535593124.db2.gz WTXFDDNSICRVGI-KGLIPLIRSA-N 2 0 242.407 1.859 20 0 BDADRP CC[C@@H](COC)[NH2+]CCC[NH+]1CCCCC1 ZINC000070656276 535760820 /nfs/dbraw/zinc/76/08/20/535760820.db2.gz ZUKGFBNGFBXDOF-ZDUSSCGKSA-N 2 0 228.380 1.877 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C2CCC([NH3+])CC2)[C@H](C)C1 ZINC000335676429 535767894 /nfs/dbraw/zinc/76/78/94/535767894.db2.gz PSLZWCZWKASMAT-RYSNWHEDSA-N 3 0 239.407 1.576 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(OC)CCC2)[C@@H](C)C1 ZINC000248409398 535768768 /nfs/dbraw/zinc/76/87/68/535768768.db2.gz FXFPQRNEHWDHOD-STQMWFEESA-N 2 0 240.391 1.875 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000084216631 535831547 /nfs/dbraw/zinc/83/15/47/535831547.db2.gz LUJFIKGVGYHZLN-STQMWFEESA-N 3 0 227.396 1.435 20 0 BDADRP CC[C@](C)(O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000251889073 535846431 /nfs/dbraw/zinc/84/64/31/535846431.db2.gz WSQIXEOSQQLNLT-IHRRRGAJSA-N 2 0 240.391 1.564 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@H+](CC2=CCCOC2)C1 ZINC000179637542 535944751 /nfs/dbraw/zinc/94/47/51/535944751.db2.gz OSWYXJXRHIHLDP-LBPRGKRZSA-N 2 0 224.348 1.217 20 0 BDADRP CC[C@@](C)(CCO)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000220390327 535977479 /nfs/dbraw/zinc/97/74/79/535977479.db2.gz LAHGVJFWPFSMAO-RYUDHWBXSA-N 2 0 214.353 1.127 20 0 BDADRP CC[C@H](O)CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000253014072 535978248 /nfs/dbraw/zinc/97/82/48/535978248.db2.gz FRZJISKFOJKXEV-IGQOVBAYSA-N 2 0 240.391 1.658 20 0 BDADRP CC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000252724116 535994575 /nfs/dbraw/zinc/99/45/75/535994575.db2.gz WKXYHMTWPWFCEF-WISYIIOYSA-N 2 0 214.353 1.076 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000251044665 536090710 /nfs/dbraw/zinc/09/07/10/536090710.db2.gz DLHPQCCFQOVHGP-FRRDWIJNSA-N 2 0 228.380 1.502 20 0 BDADRP C[N@H+](CCC1CCOCC1)CC1CC[NH2+]CC1 ZINC000178974651 536326294 /nfs/dbraw/zinc/32/62/94/536326294.db2.gz LVLKOZUXXAWJPY-UHFFFAOYSA-N 2 0 240.391 1.735 20 0 BDADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cc[nH]n3)C2)CC1 ZINC000335724490 536345913 /nfs/dbraw/zinc/34/59/13/536345913.db2.gz YTNDTZUEBFLCDA-ZDUSSCGKSA-N 2 0 248.374 1.573 20 0 BDADRP C[N@H+](CCOCC1CC1)C1CC[NH2+]CC1 ZINC000087399732 536393558 /nfs/dbraw/zinc/39/35/58/536393558.db2.gz YRWNJIUAECTERK-UHFFFAOYSA-N 2 0 212.337 1.097 20 0 BDADRP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@@H]3CCOC3)C2)C1 ZINC000335901305 536395257 /nfs/dbraw/zinc/39/52/57/536395257.db2.gz XEKNDRKJRCSNER-KBPBESRZSA-N 2 0 238.375 1.441 20 0 BDADRP COCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000086494247 536590089 /nfs/dbraw/zinc/59/00/89/536590089.db2.gz BNBFGNSLVOSRKB-XQQFMLRXSA-N 2 0 226.364 1.533 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CC[C@H]1CCCCO1 ZINC000223770212 536595048 /nfs/dbraw/zinc/59/50/48/536595048.db2.gz UFMQDVDAUAFSLR-CHWSQXEVSA-N 2 0 244.379 1.289 20 0 BDADRP CO[C@@H]1CC[C@H]([NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000261536797 536706197 /nfs/dbraw/zinc/70/61/97/536706197.db2.gz TTYPFEVWNZJQAJ-SDDRHHMPSA-N 2 0 212.337 1.286 20 0 BDADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CC[C@H]2C2CC2)CC1 ZINC000348105149 566264485 /nfs/dbraw/zinc/26/44/85/566264485.db2.gz FSOXVFMBKOTXLC-QWHCGFSZSA-N 2 0 238.375 1.221 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCC1SCCS1 ZINC000853022929 588716593 /nfs/dbraw/zinc/71/65/93/588716593.db2.gz HVRWQTITVIBUST-ZJUUUORDSA-N 2 0 246.445 1.852 20 0 BDADRP C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1SCCS1 ZINC000853023372 588716750 /nfs/dbraw/zinc/71/67/50/588716750.db2.gz VDPMGSVNBJBFIO-AOOOYVTPSA-N 2 0 244.429 1.334 20 0 BDADRP c1ncc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000112341326 588794729 /nfs/dbraw/zinc/79/47/29/588794729.db2.gz BJZRZLCECQCESE-CHWSQXEVSA-N 2 0 232.331 1.193 20 0 BDADRP OCc1c[nH+]ccc1NC1CC[NH+](C2CC2)CC1 ZINC000891662924 582706439 /nfs/dbraw/zinc/70/64/39/582706439.db2.gz UAACPQNVNITREA-UHFFFAOYSA-N 2 0 247.342 1.035 20 0 BDADRP CCN1CC[N@H+](CC2CC[NH+](C)CC2)C[C@H]1C ZINC000891993955 582756033 /nfs/dbraw/zinc/75/60/33/582756033.db2.gz XJCMVOAZVAMDIT-CYBMUJFWSA-N 2 0 239.407 1.354 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000892034752 582766897 /nfs/dbraw/zinc/76/68/97/582766897.db2.gz UGKPJINXTTXWHF-AWEZNQCLSA-N 3 0 239.407 1.212 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCOC3(CCC3)C2)CC1 ZINC000892106210 582792475 /nfs/dbraw/zinc/79/24/75/582792475.db2.gz UAKKQSKWSBAOCL-UHFFFAOYSA-N 2 0 238.375 1.583 20 0 BDADRP CC(C)[C@@H](CNC(=[NH2+])N1CCC1)[NH+]1CCCC1 ZINC000848983979 582816619 /nfs/dbraw/zinc/81/66/19/582816619.db2.gz AFJSLCFUAMPKSV-GFCCVEGCSA-N 2 0 238.379 1.337 20 0 BDADRP C[NH+](C)CCC[NH2+]C[C@@H]1C[C@@]1(C)Br ZINC000892430054 582884927 /nfs/dbraw/zinc/88/49/27/582884927.db2.gz ZLTHHACEEACXFZ-VHSXEESVSA-N 2 0 249.196 1.701 20 0 BDADRP Cc1cc(F)ncc1C[NH2+]CCCC[NH+](C)C ZINC000892742781 582974542 /nfs/dbraw/zinc/97/45/42/582974542.db2.gz XJVVEZBIYSAIOF-UHFFFAOYSA-N 2 0 239.338 1.961 20 0 BDADRP CCN(CC[NH2+]CC1CC[NH+](C)CC1)C(C)C ZINC000892802830 582985006 /nfs/dbraw/zinc/98/50/06/582985006.db2.gz WEARDBYOTLPYRX-UHFFFAOYSA-N 2 0 241.423 1.648 20 0 BDADRP C[C@@H]1C[C@@H](Nc2cc[nH+]cc2CO)C[N@@H+]1C1CC1 ZINC000892875631 583001994 /nfs/dbraw/zinc/00/19/94/583001994.db2.gz HEOIOACYRPJDHV-ZYHUDNBSSA-N 2 0 247.342 1.033 20 0 BDADRP C[C@H](CC1CCC1)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000397610342 583102951 /nfs/dbraw/zinc/10/29/51/583102951.db2.gz RAWFUBALLRFBID-GFCCVEGCSA-N 2 0 240.391 1.611 20 0 BDADRP CC(C)[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)CCO1 ZINC000893399995 583136489 /nfs/dbraw/zinc/13/64/89/583136489.db2.gz BZAHXFLOZZRFOH-AWEZNQCLSA-N 2 0 240.391 1.685 20 0 BDADRP C[NH+](C)C1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000114740749 588881335 /nfs/dbraw/zinc/88/13/35/588881335.db2.gz KMZYOUNBTNODIO-UHFFFAOYSA-N 2 0 240.391 1.708 20 0 BDADRP [NH3+][C@]12CCC[C@H]1C[N@H+](C[C@@H]1CCCOC1)C2 ZINC000857226502 588896137 /nfs/dbraw/zinc/89/61/37/588896137.db2.gz QDDMBJULAAGOHI-AVGNSLFASA-N 2 0 224.348 1.226 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)CCCCC[NH3+])cc1 ZINC000841852914 583407415 /nfs/dbraw/zinc/40/74/15/583407415.db2.gz UCYLBFVMKZANBN-UHFFFAOYSA-N 2 0 249.358 1.864 20 0 BDADRP C[C@H]1C[C@@H]1C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000894377752 583441611 /nfs/dbraw/zinc/44/16/11/583441611.db2.gz FWZZOIKECRLHAT-UONOGXRCSA-N 2 0 239.407 1.260 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CCO)C1 ZINC000894456890 583464172 /nfs/dbraw/zinc/46/41/72/583464172.db2.gz RPLLMDKLBSQFHD-RYUDHWBXSA-N 2 0 214.353 1.077 20 0 BDADRP CN(CC[N@H+](C)CC1CC[NH+](C)CC1)C1CC1 ZINC000894477338 583470114 /nfs/dbraw/zinc/47/01/14/583470114.db2.gz ONQPCWMNNMQWCC-UHFFFAOYSA-N 2 0 239.407 1.354 20 0 BDADRP C[NH+]1CCC(C[NH+]2CC(C3CC3)C2)CC1 ZINC000894566556 583484501 /nfs/dbraw/zinc/48/45/01/583484501.db2.gz PCXWBGJXQRTRKS-UHFFFAOYSA-N 2 0 208.349 1.670 20 0 BDADRP CC(C)[C@H]1C[C@H](C[NH2+]Cc2cnc[nH]2)CCO1 ZINC000894899559 583551429 /nfs/dbraw/zinc/55/14/29/583551429.db2.gz WPEICQFRKKHVLZ-DGCLKSJQSA-N 2 0 237.347 1.951 20 0 BDADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2COCC2(C)C)C1 ZINC000894984791 583564320 /nfs/dbraw/zinc/56/43/20/583564320.db2.gz KNGUDXONAJRRBT-QWHCGFSZSA-N 2 0 240.391 1.733 20 0 BDADRP CCC[C@@H]1CN(c2ccnc(C)n2)CC[NH2+]1 ZINC000895059710 583576142 /nfs/dbraw/zinc/57/61/42/583576142.db2.gz WFIHRSIXCKAHKG-LLVKDONJSA-N 2 0 220.320 1.363 20 0 BDADRP C[N@H+]1C[C@@H]2C[NH+](CC3(C)CCC3)C[C@@H]2C1 ZINC000335217232 583613111 /nfs/dbraw/zinc/61/31/11/583613111.db2.gz JNIRNIPDICFQCG-TXEJJXNPSA-N 2 0 208.349 1.670 20 0 BDADRP COc1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)nc1 ZINC000895204295 583625199 /nfs/dbraw/zinc/62/51/99/583625199.db2.gz BAJJQVKJSYDLBO-BJHJDKERSA-N 2 0 249.358 1.520 20 0 BDADRP C[NH+]1CCC(C[NH2+]CC[C@H]2CCCOC2)CC1 ZINC000895561710 583691320 /nfs/dbraw/zinc/69/13/20/583691320.db2.gz SDWIMSSAEOICBM-CQSZACIVSA-N 2 0 240.391 1.735 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCO[C@H](CCF)C2)CC1 ZINC000895628285 583698331 /nfs/dbraw/zinc/69/83/31/583698331.db2.gz OMYGCFOLZCLAGE-CYBMUJFWSA-N 2 0 244.354 1.389 20 0 BDADRP C[N@@H+]1CC[C@@H]1CNc1cc[nH+]cc1C(F)(F)F ZINC000895767570 583723373 /nfs/dbraw/zinc/72/33/73/583723373.db2.gz NXIDKCXVRLJVGX-MRVPVSSYSA-N 2 0 245.248 1.638 20 0 BDADRP OCc1cc(NC2CC[NH+](C3CC3)CC2)cc[nH+]1 ZINC000858334612 588946477 /nfs/dbraw/zinc/94/64/77/588946477.db2.gz CHPDAZPSYRZUJM-UHFFFAOYSA-N 2 0 247.342 1.613 20 0 BDADRP C[C@H](C[C@H]1CCOC1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000863483219 583992164 /nfs/dbraw/zinc/99/21/64/583992164.db2.gz RRACLEQDUGDOLB-UPJWGTAASA-N 2 0 238.375 1.676 20 0 BDADRP OCc1cc(NC[C@@H]2CC[N@@H+](C3CC3)C2)cc[nH+]1 ZINC000858346462 588947708 /nfs/dbraw/zinc/94/77/08/588947708.db2.gz NABVTHXIIXDXLJ-NSHDSACASA-N 2 0 247.342 1.470 20 0 BDADRP OCc1cc(NC[C@H]2CC[N@@H+](C3CC3)C2)cc[nH+]1 ZINC000858346461 588947721 /nfs/dbraw/zinc/94/77/21/588947721.db2.gz NABVTHXIIXDXLJ-LLVKDONJSA-N 2 0 247.342 1.470 20 0 BDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000897536189 584009815 /nfs/dbraw/zinc/00/98/15/584009815.db2.gz JIDLKUFNBRCDHI-RFGFWPKPSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@H](CC[NH+](C)C)Nc1cc[nH+]c(CO)c1 ZINC000858370355 588949432 /nfs/dbraw/zinc/94/94/32/588949432.db2.gz SGZGZUBEUQDUFC-SNVBAGLBSA-N 2 0 223.320 1.326 20 0 BDADRP C[N@@H+]1C[C@@H]2C[NH+](CC3(C)CC3)C[C@]2(C)C1 ZINC000897620055 584032385 /nfs/dbraw/zinc/03/23/85/584032385.db2.gz FNJVNXOVPICPCD-YPMHNXCESA-N 2 0 208.349 1.670 20 0 BDADRP C[N@@H+]1CCC[C@@H](CNc2cc[nH+]c(CO)c2)C1 ZINC000858402929 588951324 /nfs/dbraw/zinc/95/13/24/588951324.db2.gz OEXUXYVDRPDBAI-NSHDSACASA-N 2 0 235.331 1.328 20 0 BDADRP CC[C@H](C[NH+]1CCCC1)Nc1cc[nH+]c(CO)c1 ZINC000858416246 588952581 /nfs/dbraw/zinc/95/25/81/588952581.db2.gz XTZPHROGMZZFQL-GFCCVEGCSA-N 2 0 249.358 1.860 20 0 BDADRP Clc1ncccc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000841036861 584070505 /nfs/dbraw/zinc/07/05/05/584070505.db2.gz PWKKMHFESURNCV-JTQLQIEISA-N 2 0 239.750 1.824 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@H](O)C2CC2)[C@@H](C)C1 ZINC000898202878 584089757 /nfs/dbraw/zinc/08/97/57/584089757.db2.gz DXZDVCZEMIXIGW-UBHSHLNASA-N 2 0 240.391 1.467 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000866666708 584121571 /nfs/dbraw/zinc/12/15/71/584121571.db2.gz VFPHVHBOZLIKCD-YNEHKIRRSA-N 2 0 224.348 1.239 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000841049836 584124943 /nfs/dbraw/zinc/12/49/43/584124943.db2.gz WSJNZBVKFIIVCR-DBIOUOCHSA-N 2 0 246.445 1.550 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@H](O)CC(C)(C)C2)CC[NH2+]1 ZINC000873221796 584127194 /nfs/dbraw/zinc/12/71/94/584127194.db2.gz QHHWARBPAOLLGI-JHJVBQTASA-N 2 0 240.391 1.467 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cccc(CO)c1 ZINC000873258245 584128099 /nfs/dbraw/zinc/12/80/99/584128099.db2.gz YWKXTAUMBUTKOW-JKOKRWQUSA-N 2 0 234.343 1.567 20 0 BDADRP C[C@H]1OCC[C@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873262546 584128879 /nfs/dbraw/zinc/12/88/79/584128879.db2.gz ACKJZWRKWHCDAC-UJPOAAIJSA-N 2 0 224.348 1.284 20 0 BDADRP C[C@@H](NC(=[NH2+])NC[C@H](C)C[NH+](C)C)C1CC1 ZINC000899272370 584192124 /nfs/dbraw/zinc/19/21/24/584192124.db2.gz DSLVOSDWZNWBDC-VHSXEESVSA-N 2 0 226.368 1.097 20 0 BDADRP [NH3+][C@@H]1CCc2cc(C3=CCC[NH2+]C3)ccc2C1 ZINC000899324847 584196767 /nfs/dbraw/zinc/19/67/67/584196767.db2.gz QSWXSNQRIJXGEE-OAHLLOKOSA-N 2 0 228.339 1.879 20 0 BDADRP Cn1ncc(-c2cccc(C[NH+](C)C)c2)c1C[NH3+] ZINC000899325631 584197955 /nfs/dbraw/zinc/19/79/55/584197955.db2.gz YCYLLFFCOGXVSS-UHFFFAOYSA-N 2 0 244.342 1.607 20 0 BDADRP CN(CC[NH+]1CCCCC1)c1cc[nH+]c(CO)c1 ZINC000858609633 588971064 /nfs/dbraw/zinc/97/10/64/588971064.db2.gz ZOABOKOENZZMNO-UHFFFAOYSA-N 2 0 249.358 1.496 20 0 BDADRP C[C@@H](CCCO)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902344789 584558096 /nfs/dbraw/zinc/55/80/96/584558096.db2.gz GCLWNRZFAHGCSZ-RYUDHWBXSA-N 2 0 228.380 1.515 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCOCC2CC2)C1 ZINC000902347261 584559015 /nfs/dbraw/zinc/55/90/15/584559015.db2.gz IIQQQLWTBMXKHG-CYBMUJFWSA-N 2 0 240.391 1.781 20 0 BDADRP COCCOCC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902349806 584559791 /nfs/dbraw/zinc/55/97/91/584559791.db2.gz RNFOVIXYAJHXMR-GFCCVEGCSA-N 2 0 244.379 1.017 20 0 BDADRP CC(C)C[C@@H](O)C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902349533 584559829 /nfs/dbraw/zinc/55/98/29/584559829.db2.gz XKKRDUBCXDSGMN-CHWSQXEVSA-N 2 0 242.407 1.761 20 0 BDADRP COCCOCC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902349807 584559855 /nfs/dbraw/zinc/55/98/55/584559855.db2.gz RNFOVIXYAJHXMR-LBPRGKRZSA-N 2 0 244.379 1.017 20 0 BDADRP CO[C@@H](C)[C@@H](C)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902385729 584578295 /nfs/dbraw/zinc/57/82/95/584578295.db2.gz ABHBAEYTAPHYHD-WOPDTQHZSA-N 2 0 228.380 1.778 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]CC2([NH3+])CC2)C12CCCC2 ZINC000902412783 584580909 /nfs/dbraw/zinc/58/09/09/584580909.db2.gz DTRSQQRNYOHDNM-VXGBXAGGSA-N 2 0 238.375 1.805 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCCCCC[NH3+])C1 ZINC000902391224 584581876 /nfs/dbraw/zinc/58/18/76/584581876.db2.gz FQTUEPUSMQEPBL-CYBMUJFWSA-N 3 0 241.423 1.873 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H](NCC2([NH3+])CCC2)C1 ZINC000902394432 584584710 /nfs/dbraw/zinc/58/47/10/584584710.db2.gz WFBXVUQWJFXFCF-LLVKDONJSA-N 2 0 225.380 1.236 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CO1 ZINC000902394514 584584848 /nfs/dbraw/zinc/58/48/48/584584848.db2.gz YLQTXNWOTHZCGS-GRYCIOLGSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@@H]1CC[C@H](N[C@H]2CC[NH2+]CC(C)(C)C2)C[NH2+]1 ZINC000902398433 584586082 /nfs/dbraw/zinc/58/60/82/584586082.db2.gz PIJKAZGGUBZIRW-AGIUHOORSA-N 2 0 239.407 1.495 20 0 BDADRP CC(C)([NH3+])CCN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902402222 584587198 /nfs/dbraw/zinc/58/71/98/584587198.db2.gz JENIAEMEDABCSF-LLVKDONJSA-N 2 0 227.396 1.482 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000902403186 584588347 /nfs/dbraw/zinc/58/83/47/584588347.db2.gz DNPXWJGQMFMNGE-TUAOUCFPSA-N 3 0 225.380 1.092 20 0 BDADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+]CC1([NH3+])CC1 ZINC000902417195 584591064 /nfs/dbraw/zinc/59/10/64/584591064.db2.gz XSDZJXAGGZGCHO-LLVKDONJSA-N 2 0 247.342 1.485 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000902429565 584594874 /nfs/dbraw/zinc/59/48/74/584594874.db2.gz MSEPJQNWRBVQKL-FQUUOJAGSA-N 2 0 240.391 1.645 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000902429559 584594979 /nfs/dbraw/zinc/59/49/79/584594979.db2.gz MSEPJQNWRBVQKL-CRWXNKLISA-N 2 0 240.391 1.645 20 0 BDADRP [NH3+][C@@H]1c2ccccc2C[C@H]1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000902436119 584596662 /nfs/dbraw/zinc/59/66/62/584596662.db2.gz XIPDBVPWPICUJF-AYRXBEOTSA-N 2 0 245.370 1.471 20 0 BDADRP [NH3+][C@@H]1c2ccccc2C[C@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000902435278 584596671 /nfs/dbraw/zinc/59/66/71/584596671.db2.gz SHDZFZOHZRVFND-BPLDGKMQSA-N 2 0 245.370 1.343 20 0 BDADRP NOCCC[NH2+][C@@H]1CCN[C@@H](c2ccccc2)C1 ZINC000902414996 584600420 /nfs/dbraw/zinc/60/04/20/584600420.db2.gz IVZYNBZPGLAOOU-ZIAGYGMSSA-N 2 0 249.358 1.350 20 0 BDADRP C[C@H](CC1CCOCC1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902474016 584601870 /nfs/dbraw/zinc/60/18/70/584601870.db2.gz CAYOQHYQISWTAA-RUZUBIRVSA-N 2 0 238.375 1.674 20 0 BDADRP C[C@@H](NC[C@@H]1CCCCC[NH2+]1)[C@@H]1CCCC[NH2+]1 ZINC000902477734 584603450 /nfs/dbraw/zinc/60/34/50/584603450.db2.gz RIIMISOKJUWBRF-RDBSUJKOSA-N 2 0 239.407 1.639 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902449465 584605994 /nfs/dbraw/zinc/60/59/94/584605994.db2.gz OUSBHBJGWHEQBT-GHMZBOCLSA-N 2 0 214.353 1.125 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902451594 584607189 /nfs/dbraw/zinc/60/71/89/584607189.db2.gz GZBSTMPHOLHZAC-DIVMYUDWSA-N 2 0 236.359 1.269 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc3nonc3c2)C1 ZINC000902452806 584607732 /nfs/dbraw/zinc/60/77/32/584607732.db2.gz BDKBPNHJMBQWMO-GHMZBOCLSA-N 2 0 246.314 1.582 20 0 BDADRP COc1nn(C)cc1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000902453594 584607829 /nfs/dbraw/zinc/60/78/29/584607829.db2.gz CHRANZUCHUXIKI-JTQLQIEISA-N 2 0 240.351 1.036 20 0 BDADRP C1[C@H]2CCC[C@@H]2[C@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000902453508 584607950 /nfs/dbraw/zinc/60/79/50/584607950.db2.gz DVIOIIFQEGVPQC-KNTWYOSUSA-N 2 0 232.371 1.761 20 0 BDADRP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)[NH2+]2 ZINC000902453298 584607978 /nfs/dbraw/zinc/60/79/78/584607978.db2.gz OVTNGYKDPWDXNE-RBNDBXFCSA-N 2 0 248.370 1.281 20 0 BDADRP CC1(C)CC[N@H+](CCN[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000902453634 584608230 /nfs/dbraw/zinc/60/82/30/584608230.db2.gz CVPCRXLVYIQLNI-CHWSQXEVSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@@H](NCC[N@@H+]1CCC(C)(C)C1)[C@@H]1CCC[NH2+]1 ZINC000902454167 584608684 /nfs/dbraw/zinc/60/86/84/584608684.db2.gz GPPIJCZPZFFECV-OLZOCXBDSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc2nonc2c1 ZINC000902456499 584610223 /nfs/dbraw/zinc/61/02/23/584610223.db2.gz PJZXFSUJIJBNJT-BDAKNGLRSA-N 2 0 234.303 1.438 20 0 BDADRP [NH3+][C@@H]1C[C@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c2ccccc21 ZINC000902460629 584611231 /nfs/dbraw/zinc/61/12/31/584611231.db2.gz HWFPTYHXSKXUSG-XNHWVXRISA-N 2 0 243.354 1.614 20 0 BDADRP C1C[NH2+][C@H]([C@H]2CCC[C@H]2N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000902461998 584611410 /nfs/dbraw/zinc/61/14/10/584611410.db2.gz RYVKVTVASFOMKP-XWSJDDSLSA-N 2 0 249.402 1.390 20 0 BDADRP COCC[C@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902470228 584616402 /nfs/dbraw/zinc/61/64/02/584616402.db2.gz VAKXACDOENEBQG-MBJXGIAVSA-N 2 0 238.375 1.674 20 0 BDADRP COCCC[C@H](C)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902471223 584616503 /nfs/dbraw/zinc/61/65/03/584616503.db2.gz KJXKIPKLCJOAGC-NNYUYHANSA-N 2 0 212.337 1.284 20 0 BDADRP C[N@@H+]1CC[C@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)[C@@H]2CCC[C@@H]21 ZINC000902470621 584616654 /nfs/dbraw/zinc/61/66/54/584616654.db2.gz YXFWHCNSIRCEOQ-VMCMIOBHSA-N 2 0 249.402 1.342 20 0 BDADRP CC[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccncc1 ZINC000902490164 584617250 /nfs/dbraw/zinc/61/72/50/584617250.db2.gz UFRCECBQJNFLCC-DRZSPHRISA-N 2 0 219.332 1.860 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC[C@@H](O)C2CC2)C1 ZINC000902505411 584621229 /nfs/dbraw/zinc/62/12/29/584621229.db2.gz RVXDUBYDNDJMJR-IJLUTSLNSA-N 2 0 212.337 1.007 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC[C@H](O)C1CC1 ZINC000902504581 584621345 /nfs/dbraw/zinc/62/13/45/584621345.db2.gz OVFHTCTYFJKLOA-AGIUHOORSA-N 2 0 226.364 1.397 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC[C@H](O)C2CC2)C1 ZINC000902505412 584621484 /nfs/dbraw/zinc/62/14/84/584621484.db2.gz RVXDUBYDNDJMJR-UTUOFQBUSA-N 2 0 212.337 1.007 20 0 BDADRP CC[C@@H]([NH2+]CC[C@@H](O)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000902506203 584621999 /nfs/dbraw/zinc/62/19/99/584621999.db2.gz XIOPVHFPEIGPBU-FRRDWIJNSA-N 2 0 226.364 1.268 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CC[C@@H](O)C2CC2)C1 ZINC000902506641 584622180 /nfs/dbraw/zinc/62/21/80/584622180.db2.gz ZCZYPDSYOGAYGE-JHJVBQTASA-N 2 0 240.391 1.643 20 0 BDADRP C[C@@H]1C[C@@H](NC[C@@H]2CCCCC[NH2+]2)CC[N@@H+]1C ZINC000902481206 584623493 /nfs/dbraw/zinc/62/34/93/584623493.db2.gz BGTCMQOQECQYLX-RDBSUJKOSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CCCCC[NH2+]1 ZINC000902484969 584624597 /nfs/dbraw/zinc/62/45/97/584624597.db2.gz XPWXGMULNIQTIL-QWHCGFSZSA-N 3 0 227.396 1.626 20 0 BDADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2CCCc3occc32)C1 ZINC000902485730 584625543 /nfs/dbraw/zinc/62/55/43/584625543.db2.gz NETUJRUJILEMQN-CKYFFXLPSA-N 2 0 220.316 1.984 20 0 BDADRP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccc2c(c1)OCO2 ZINC000902488213 584626506 /nfs/dbraw/zinc/62/65/06/584626506.db2.gz LEOHCXFKOSWERG-NHCYSSNCSA-N 2 0 248.326 1.803 20 0 BDADRP Cc1ncc([C@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)s1 ZINC000902487688 584626850 /nfs/dbraw/zinc/62/68/50/584626850.db2.gz LSYRSLGSWLSFRR-HGNGGELXSA-N 2 0 225.361 1.839 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902489008 584627406 /nfs/dbraw/zinc/62/74/06/584627406.db2.gz PRVOJFXHVSQKIF-YIYPIFLZSA-N 3 0 239.407 1.624 20 0 BDADRP COc1ccc(C[C@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)cn1 ZINC000902489530 584627422 /nfs/dbraw/zinc/62/74/22/584627422.db2.gz QWZNIDLFAWBMKX-DRZSPHRISA-N 2 0 249.358 1.348 20 0 BDADRP C[NH+]1CCC(NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC000902488964 584627515 /nfs/dbraw/zinc/62/75/15/584627515.db2.gz PFPSYNUBHRMAKG-ZDUSSCGKSA-N 2 0 225.380 1.202 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000902517017 584630234 /nfs/dbraw/zinc/63/02/34/584630234.db2.gz GCGMTLMIKICLBZ-ZGKBOVNRSA-N 2 0 246.354 1.362 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000902516552 584630419 /nfs/dbraw/zinc/63/04/19/584630419.db2.gz DJPZKDFVJSWXPW-DUBDDPSESA-N 2 0 234.343 1.360 20 0 BDADRP CN1CC[C@H]1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000903316720 584750031 /nfs/dbraw/zinc/75/00/31/584750031.db2.gz QNMNUVMJQCSPDP-RYUDHWBXSA-N 2 0 225.380 1.153 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@H+](C[C@H]2CCOC2)C2CC2)C1 ZINC000903431694 584762235 /nfs/dbraw/zinc/76/22/35/584762235.db2.gz VNOXCAOXFUEOJB-YNEHKIRRSA-N 2 0 238.375 1.615 20 0 BDADRP C[C@H](N)[C@H]1CCCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903421709 584763574 /nfs/dbraw/zinc/76/35/74/584763574.db2.gz RXNWGNSCCPXBBY-QNWHQSFQSA-N 2 0 225.380 1.316 20 0 BDADRP C[NH2+]CC1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903423586 584764451 /nfs/dbraw/zinc/76/44/51/584764451.db2.gz XRZSWRZNZUJURO-OLZOCXBDSA-N 3 0 225.380 1.045 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCCOC1 ZINC000903459457 584766161 /nfs/dbraw/zinc/76/61/61/584766161.db2.gz TZLSQODAVIQDBO-LPWJVIDDSA-N 2 0 226.364 1.247 20 0 BDADRP COC[C@@H](C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1)C(C)C ZINC000903459272 584766162 /nfs/dbraw/zinc/76/61/62/584766162.db2.gz FTXNQURCJJPIJF-KGLIPLIRSA-N 2 0 240.391 1.733 20 0 BDADRP CC[C@@H]1C[C@H]1C[NH+]1CCC([NH2+]CCOC)CC1 ZINC000903460853 584766952 /nfs/dbraw/zinc/76/69/52/584766952.db2.gz KDYRDPABEGYDCB-OLZOCXBDSA-N 2 0 240.391 1.733 20 0 BDADRP CC[N@@H+](Cc1cnn(C)c1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903442285 584767177 /nfs/dbraw/zinc/76/71/77/584767177.db2.gz NXJZDXSZMVVLJJ-YPMHNXCESA-N 2 0 236.363 1.369 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903445363 584769315 /nfs/dbraw/zinc/76/93/15/584769315.db2.gz JASVSIBHLFAREE-RDBSUJKOSA-N 3 0 239.407 1.387 20 0 BDADRP CC(C)[NH2+]C1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903445705 584770242 /nfs/dbraw/zinc/77/02/42/584770242.db2.gz NJLKMFXLRCOJPV-OLZOCXBDSA-N 3 0 239.407 1.576 20 0 BDADRP COC[C@H](C[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1)C(C)C ZINC000903464592 584771868 /nfs/dbraw/zinc/77/18/68/584771868.db2.gz SRAPFVQBMYUROL-MJBXVCDLSA-N 2 0 240.391 1.718 20 0 BDADRP CC[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@@H]1[NH3+] ZINC000903450461 584771942 /nfs/dbraw/zinc/77/19/42/584771942.db2.gz WIKXCGXXXUFBCJ-VOAKCMCISA-N 3 0 225.380 1.173 20 0 BDADRP COC[C@H](C[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1)C(C)C ZINC000903464591 584772111 /nfs/dbraw/zinc/77/21/11/584772111.db2.gz SRAPFVQBMYUROL-MELADBBJSA-N 2 0 240.391 1.718 20 0 BDADRP C([C@H]1CCC[NH2+]1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000903453919 584772686 /nfs/dbraw/zinc/77/26/86/584772686.db2.gz PLBYSFZHUFRPEF-BFHYXJOUSA-N 2 0 237.391 1.060 20 0 BDADRP COCCCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903470151 584774507 /nfs/dbraw/zinc/77/45/07/584774507.db2.gz GTLJWRZAEQYCEQ-NSHDSACASA-N 2 0 212.337 1.287 20 0 BDADRP COC[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)C(C)C ZINC000903470424 584774711 /nfs/dbraw/zinc/77/47/11/584774711.db2.gz BLWUGEBKONUVCG-CHWSQXEVSA-N 2 0 240.391 1.779 20 0 BDADRP C(C[C@@H]1CCCO1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903471763 584775609 /nfs/dbraw/zinc/77/56/09/584775609.db2.gz MAUYZZGQBYSDMR-NWDGAFQWSA-N 2 0 224.348 1.430 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@H]3CSC[C@@H]3C2)C1 ZINC000903475765 584776591 /nfs/dbraw/zinc/77/65/91/584776591.db2.gz CIGKQYODIXJFSE-ZDEQEGDKSA-N 2 0 240.416 1.799 20 0 BDADRP CC1(C)C[C@@H](O)C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903476473 584777198 /nfs/dbraw/zinc/77/71/98/584777198.db2.gz XVXBCHYKXDKOPO-GRYCIOLGSA-N 2 0 226.364 1.207 20 0 BDADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CCOC2CC2)C1 ZINC000903476381 584777551 /nfs/dbraw/zinc/77/75/51/584777551.db2.gz VOSHIZNAXTWBJI-CQSZACIVSA-N 2 0 240.391 1.862 20 0 BDADRP CC(=O)C1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903477924 584778212 /nfs/dbraw/zinc/77/82/12/584778212.db2.gz BWRGRLUCKIZNRJ-YPMHNXCESA-N 2 0 224.348 1.415 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000903482184 584778709 /nfs/dbraw/zinc/77/87/09/584778709.db2.gz YWZCJLYQKJDMLM-ZOBORPQBSA-N 2 0 238.375 1.343 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCO[C@H]2C)C[C@H]1CC[NH3+] ZINC000903498857 584780245 /nfs/dbraw/zinc/78/02/45/584780245.db2.gz LRQMDRSDHQOLJI-XQHKEYJVSA-N 2 0 226.364 1.328 20 0 BDADRP C[C@@H]1C[N@H+](CCOC(F)F)C[C@H]1CC[NH3+] ZINC000903499445 584780260 /nfs/dbraw/zinc/78/02/60/584780260.db2.gz VOMOIQMWDLRBEJ-RKDXNWHRSA-N 2 0 222.279 1.142 20 0 BDADRP Cn1ccc(C2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)n1 ZINC000903564064 584781999 /nfs/dbraw/zinc/78/19/99/584781999.db2.gz OYSXAJCXOKQNHP-LBPRGKRZSA-N 2 0 248.374 1.209 20 0 BDADRP CN(C)c1ccccc1CN1C[C@H]([NH3+])C(C)(C)C1 ZINC000903558904 584782878 /nfs/dbraw/zinc/78/28/78/584782878.db2.gz SZSRXYABWLWHDG-AWEZNQCLSA-N 2 0 247.386 1.922 20 0 BDADRP CC1(C)C[N@H+](CCCCCC[NH3+])C[C@@H]1N ZINC000903556626 584783258 /nfs/dbraw/zinc/78/32/58/584783258.db2.gz BXVXDJSQCOSIFA-NSHDSACASA-N 2 0 213.369 1.175 20 0 BDADRP C[NH2+]C1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903716883 584792287 /nfs/dbraw/zinc/79/22/87/584792287.db2.gz VPACVBAWAVISAS-LBPRGKRZSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@@H]1CCC[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903717549 584792596 /nfs/dbraw/zinc/79/25/96/584792596.db2.gz ROUROUUMKJIFMA-HZSPNIEDSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903727156 584792888 /nfs/dbraw/zinc/79/28/88/584792888.db2.gz RFSTZJPPBFGKEH-OLZOCXBDSA-N 2 0 238.375 1.487 20 0 BDADRP CC(C)(C)C[N@H+](CCO)C[C@@H]1CCCC[NH2+]C1 ZINC000903729365 584792907 /nfs/dbraw/zinc/79/29/07/584792907.db2.gz LPOMRMWADOSQSX-CYBMUJFWSA-N 2 0 242.407 1.717 20 0 BDADRP CC[N@H+](CC1CC1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903729913 584792991 /nfs/dbraw/zinc/79/29/91/584792991.db2.gz SNEOCYLGMWXTJK-KBPBESRZSA-N 2 0 238.375 1.487 20 0 BDADRP CC[N@H+](CCCO)C[C@H]1CCCC[NH2+]C1 ZINC000903732235 584793214 /nfs/dbraw/zinc/79/32/14/584793214.db2.gz DLRSMXYJFOZPCT-LBPRGKRZSA-N 2 0 214.353 1.080 20 0 BDADRP [NH3+]C[C@@H]1CCCCN1C[C@H]1CCCC[NH2+]C1 ZINC000903713599 584793368 /nfs/dbraw/zinc/79/33/68/584793368.db2.gz XHARYWUDZVTCBT-STQMWFEESA-N 2 0 225.380 1.189 20 0 BDADRP C[NH2+][C@H]1CCCN(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903715880 584794215 /nfs/dbraw/zinc/79/42/15/584794215.db2.gz BDUUHJBVQLLQFT-OLZOCXBDSA-N 2 0 225.380 1.060 20 0 BDADRP CN(C[C@H]1CCCC[NH2+]C1)C1(C[NH3+])CCC1 ZINC000903749371 584794754 /nfs/dbraw/zinc/79/47/54/584794754.db2.gz JRLIUHJPBOLRDJ-LBPRGKRZSA-N 2 0 225.380 1.189 20 0 BDADRP CC(C)(C)[C@@H](C[NH3+])NC[C@H]1CCCC[NH2+]C1 ZINC000903753739 584796269 /nfs/dbraw/zinc/79/62/69/584796269.db2.gz XUCUFGFYJMOICS-NWDGAFQWSA-N 2 0 227.396 1.339 20 0 BDADRP CC1CC(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000903744383 584796546 /nfs/dbraw/zinc/79/65/46/584796546.db2.gz RMSZICUPDYYZBQ-BPCQOVAHSA-N 2 0 208.349 1.718 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CCN1C[C@H]1CCCC[NH2+]C1 ZINC000903769163 584798043 /nfs/dbraw/zinc/79/80/43/584798043.db2.gz YWVWVKKMZAEFTG-FRRDWIJNSA-N 2 0 225.380 1.188 20 0 BDADRP OCC[C@H]1CCCC[N@@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903768683 584798127 /nfs/dbraw/zinc/79/81/27/584798127.db2.gz PABONHHAMZYOOX-UONOGXRCSA-N 2 0 240.391 1.613 20 0 BDADRP [NH3+][C@]12CCC[C@H]1CN(C[C@H]1CCCC[NH2+]C1)C2 ZINC000903770336 584798222 /nfs/dbraw/zinc/79/82/22/584798222.db2.gz XAFJOWMIZWOGPO-IHRRRGAJSA-N 2 0 237.391 1.189 20 0 BDADRP CC1(C)C[C@@H](O)C[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903778026 584799618 /nfs/dbraw/zinc/79/96/18/584799618.db2.gz IUGZKINHEJKNOG-QWHCGFSZSA-N 2 0 240.391 1.469 20 0 BDADRP COCC1([N@H+](C)C[C@H]2CCCC[NH2+]C2)CCC1 ZINC000903782007 584800389 /nfs/dbraw/zinc/80/03/89/584800389.db2.gz DBPWCBPQQONSQV-ZDUSSCGKSA-N 2 0 240.391 1.877 20 0 BDADRP [NH3+]C[C@]12CC[C@@H]1CCCN2CCC[NH2+]C1CC1 ZINC000903804750 584802755 /nfs/dbraw/zinc/80/27/55/584802755.db2.gz JEGCBBUHRPTNIA-GXTWGEPZSA-N 2 0 237.391 1.332 20 0 BDADRP CC[C@H](O)C[N@@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903812623 584803199 /nfs/dbraw/zinc/80/31/99/584803199.db2.gz UUXIPDKBMFQJLJ-STQMWFEESA-N 2 0 240.391 1.741 20 0 BDADRP C[C@@H]1CSCCC[N@@H+]1CCC[NH2+]C1CC1 ZINC000903831569 584805919 /nfs/dbraw/zinc/80/59/19/584805919.db2.gz JWSMFYZGKNGGCQ-LLVKDONJSA-N 2 0 228.405 1.956 20 0 BDADRP C[C@@H]1CCOCC[N@@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903832992 584805963 /nfs/dbraw/zinc/80/59/63/584805963.db2.gz VAQWXEMMEFFOTO-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@H]1CCOCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000903831664 584806031 /nfs/dbraw/zinc/80/60/31/584806031.db2.gz MCMAOULHDKYATA-NWDGAFQWSA-N 2 0 212.337 1.097 20 0 BDADRP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000903831422 584806054 /nfs/dbraw/zinc/80/60/54/584806054.db2.gz JRHVCYHQHTXDSZ-XQQFMLRXSA-N 2 0 236.359 1.097 20 0 BDADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H]1CCCC[NH2+]C1)C2 ZINC000903838777 584806474 /nfs/dbraw/zinc/80/64/74/584806474.db2.gz FAXJJCGWFBCCPM-RFGFWPKPSA-N 3 0 237.391 1.188 20 0 BDADRP [NH3+]C[C@@]12CC[C@H]1CCN2Cc1cccnc1 ZINC000903855632 584809091 /nfs/dbraw/zinc/80/90/91/584809091.db2.gz OAFCFNRAANCDJG-STQMWFEESA-N 2 0 217.316 1.395 20 0 BDADRP CC(C)[NH2+]C1CCN(C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903889798 584814004 /nfs/dbraw/zinc/81/40/04/584814004.db2.gz VMHPRDUTYQDFJI-JTQLQIEISA-N 2 0 249.349 1.431 20 0 BDADRP C([C@@H]1C[C@@]12CCOC2)[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869635 584814377 /nfs/dbraw/zinc/81/43/77/584814377.db2.gz JCNCLTASDPIAGA-MJBXVCDLSA-N 2 0 236.359 1.241 20 0 BDADRP C[C@]12CSC[C@H]1C[N@H+](CCC[NH2+]C1CC1)C2 ZINC000903871122 584815282 /nfs/dbraw/zinc/81/52/82/584815282.db2.gz NODNSMDHOUITSD-YPMHNXCESA-N 2 0 240.416 1.813 20 0 BDADRP CC(C)[N@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903873206 584815727 /nfs/dbraw/zinc/81/57/27/584815727.db2.gz MQRKHTISXVZOMM-NSHDSACASA-N 2 0 237.351 1.043 20 0 BDADRP C[C@@H]1CCCN(C[C@H]([NH3+])CC(F)F)[C@H]1C[NH3+] ZINC000903873264 584815740 /nfs/dbraw/zinc/81/57/40/584815740.db2.gz GBVANGMTWJAYAX-BBBLOLIVSA-N 2 0 235.322 1.028 20 0 BDADRP C[C@@H]1CCCN(C[C@@H]([NH3+])CC(F)F)[C@@H]1C[NH3+] ZINC000903873265 584815864 /nfs/dbraw/zinc/81/58/64/584815864.db2.gz GBVANGMTWJAYAX-KXUCPTDWSA-N 2 0 235.322 1.028 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903873524 584815938 /nfs/dbraw/zinc/81/59/38/584815938.db2.gz JBWFXBXASMWHBN-WTUNAVPPSA-N 3 0 237.391 1.201 20 0 BDADRP [NH3+]C[C@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903873902 584816023 /nfs/dbraw/zinc/81/60/23/584816023.db2.gz NURKZVFAPRPYIA-RLAWYHOSSA-N 3 0 237.391 1.188 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCCCN1C[C@H]([NH3+])CC(F)F ZINC000903873347 584816242 /nfs/dbraw/zinc/81/62/42/584816242.db2.gz HMNGRMPFDHVOBC-IVZWLZJFSA-N 2 0 235.322 1.171 20 0 BDADRP CC[C@@H]1C(=O)NCCC[N@H+]1CCCCCC[NH3+] ZINC000903883154 584818324 /nfs/dbraw/zinc/81/83/24/584818324.db2.gz UBSLORPFGVOADZ-GFCCVEGCSA-N 2 0 241.379 1.106 20 0 BDADRP C[C@H](O)C[C@H]1CCCN1C[C@@H]([NH3+])CC(F)F ZINC000903896995 584819616 /nfs/dbraw/zinc/81/96/16/584819616.db2.gz XBZWMDLKJVWKMF-LPEHRKFASA-N 2 0 236.306 1.204 20 0 BDADRP C[C@H]1C[C@@H](O)C[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903913644 584822749 /nfs/dbraw/zinc/82/27/49/584822749.db2.gz QNMURLLAADYNHU-SMDDNHRTSA-N 2 0 246.354 1.287 20 0 BDADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]C[C@H]([NH3+])CC(F)F)CC1 ZINC000903919631 584823291 /nfs/dbraw/zinc/82/32/91/584823291.db2.gz OZNMBEGMKWHCKM-GMTAPVOTSA-N 3 0 249.349 1.324 20 0 BDADRP CC[C@@H](C)[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903925837 584823935 /nfs/dbraw/zinc/82/39/35/584823935.db2.gz HSRLMXPPVXWRKV-MNOVXSKESA-N 2 0 237.351 1.091 20 0 BDADRP OCC[C@H]1CCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903929393 584824590 /nfs/dbraw/zinc/82/45/90/584824590.db2.gz DHIDQOFUZPUWFU-WTUNAVPPSA-N 2 0 238.375 1.364 20 0 BDADRP C[C@@H]1CCCN(C[C@H]([NH3+])CC(F)F)[C@@H]1CC[NH3+] ZINC000903931391 584824829 /nfs/dbraw/zinc/82/48/29/584824829.db2.gz CLNNAFYHBQGOCJ-GMTAPVOTSA-N 2 0 249.349 1.418 20 0 BDADRP C[C@@H]1CCCN(C[C@@H]([NH3+])CC(F)F)[C@H]1CC[NH3+] ZINC000903931394 584824905 /nfs/dbraw/zinc/82/49/05/584824905.db2.gz CLNNAFYHBQGOCJ-VWYCJHECSA-N 2 0 249.349 1.418 20 0 BDADRP C[C@@H]1CCCN(C[C@@H]([NH3+])CC(F)F)[C@@H]1CC[NH3+] ZINC000903931393 584825017 /nfs/dbraw/zinc/82/50/17/584825017.db2.gz CLNNAFYHBQGOCJ-OUAUKWLOSA-N 2 0 249.349 1.418 20 0 BDADRP C1=C[C@@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903934101 584825081 /nfs/dbraw/zinc/82/50/81/584825081.db2.gz ZYIHWCNITSGNHW-HYWTVENDSA-N 2 0 206.333 1.825 20 0 BDADRP C([NH2+][C@@H]1CC[NH2+]C12CCC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903935114 584825928 /nfs/dbraw/zinc/82/59/28/584825928.db2.gz NGNKMPSYTBNNOF-WTUNAVPPSA-N 2 0 249.402 1.391 20 0 BDADRP CC(C)[C@@H]([NH3+])C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903916518 584827325 /nfs/dbraw/zinc/82/73/25/584827325.db2.gz HFKSWPGUANWRFN-WVMKXHBISA-N 3 0 225.380 1.090 20 0 BDADRP CC(=O)Nc1ccc(C[NH2+]CCC(C)(C)[NH3+])cc1 ZINC000903941276 584828908 /nfs/dbraw/zinc/82/89/08/584828908.db2.gz VPEMUSOGIZTJGX-UHFFFAOYSA-N 2 0 249.358 1.862 20 0 BDADRP CCC1([NH3+])CC[NH+](C2CCC([NH3+])CC2)CC1 ZINC000903947751 584829647 /nfs/dbraw/zinc/82/96/47/584829647.db2.gz GWOXNRVKBJUWMF-UHFFFAOYSA-N 3 0 225.380 1.460 20 0 BDADRP CCC1([NH3+])CCN([C@H](C)C[C@@H]2CCC[NH2+]2)CC1 ZINC000903947634 584829815 /nfs/dbraw/zinc/82/98/15/584829815.db2.gz CYGQDKSERKFCNV-OLZOCXBDSA-N 2 0 239.407 1.720 20 0 BDADRP C[C@@H](C[C@@H]1CCC[NH2+]1)NCc1cc(N)cc[nH+]1 ZINC000903953867 584831667 /nfs/dbraw/zinc/83/16/67/584831667.db2.gz MIJWJBGOBPMNRI-JQWIXIFHSA-N 2 0 234.347 1.284 20 0 BDADRP [NH3+]C1CCC([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000903956440 584832313 /nfs/dbraw/zinc/83/23/13/584832313.db2.gz LUBOHKVGHQKRAZ-WHXUTIOJSA-N 3 0 247.333 1.091 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C1Cc2ccccc2C1 ZINC000903974462 584832492 /nfs/dbraw/zinc/83/24/92/584832492.db2.gz NVDNDRUZSIKGPT-IUODEOHRSA-N 2 0 244.382 1.989 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCCSC1 ZINC000903973465 584832649 /nfs/dbraw/zinc/83/26/49/584832649.db2.gz DKLMNLWWSVHQQS-UTUOFQBUSA-N 2 0 228.405 1.717 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903978867 584833082 /nfs/dbraw/zinc/83/30/82/584833082.db2.gz NKZMEKHASREALC-UPJWGTAASA-N 3 0 227.396 1.195 20 0 BDADRP Cc1ccncc1C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903979259 584833417 /nfs/dbraw/zinc/83/34/17/584833417.db2.gz ZZNFREZETGNQOO-CHWSQXEVSA-N 2 0 233.359 1.725 20 0 BDADRP C[C@@H](CC1CCOCC1)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000903963732 584833526 /nfs/dbraw/zinc/83/35/26/584833526.db2.gz HISTVSJMJYLUJW-NTZNESFSSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000903963644 584833530 /nfs/dbraw/zinc/83/35/30/584833530.db2.gz DKTKPBZGLDZLSN-DHGKCCLASA-N 2 0 237.391 1.105 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000903963647 584833677 /nfs/dbraw/zinc/83/36/77/584833677.db2.gz DKTKPBZGLDZLSN-XVIXHAIJSA-N 2 0 237.391 1.105 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)C1 ZINC000903986415 584835582 /nfs/dbraw/zinc/83/55/82/584835582.db2.gz JFVIRNZTIXDQLG-LOWDOPEQSA-N 2 0 224.348 1.413 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCCN(C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904299855 584860547 /nfs/dbraw/zinc/86/05/47/584860547.db2.gz PSGRBYCAENFMGN-MELADBBJSA-N 2 0 239.407 1.435 20 0 BDADRP C[C@H]1CCCN(Cc2ccc(C[NH3+])cc2)[C@@H]1C[NH3+] ZINC000904299405 584860573 /nfs/dbraw/zinc/86/05/73/584860573.db2.gz CIIPMJBOAPRUQD-SWLSCSKDSA-N 2 0 247.386 1.705 20 0 BDADRP C[C@@H](C[NH3+])N(C)C[C@H]([NH3+])CCC(C)(C)C ZINC000904299907 584860597 /nfs/dbraw/zinc/86/05/97/584860597.db2.gz QZRLFHGQLVPOHN-WDEREUQCSA-N 2 0 215.385 1.419 20 0 BDADRP C[NH2+][C@H]1CCCN(C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904299770 584860618 /nfs/dbraw/zinc/86/06/18/584860618.db2.gz OBVPUSYRNKSQTB-QWHCGFSZSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@@H]1CN(C[C@@H]([NH3+])CCC(C)(C)C)CC[NH2+]1 ZINC000904299514 584860633 /nfs/dbraw/zinc/86/06/33/584860633.db2.gz GKHWETXXFWJMEC-NEPJUHHUSA-N 2 0 227.396 1.434 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000904299762 584860644 /nfs/dbraw/zinc/86/06/44/584860644.db2.gz NSZHCTZACSXAQW-JSGCOSHPSA-N 3 0 239.407 1.435 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CN1CC[NH2+]CC1(C)C ZINC000904301330 584861224 /nfs/dbraw/zinc/86/12/24/584861224.db2.gz KNCRUAQYDZNOLH-LBPRGKRZSA-N 2 0 241.423 1.824 20 0 BDADRP CC(C)[C@H]([NH3+])CCN(C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904301339 584861505 /nfs/dbraw/zinc/86/15/05/584861505.db2.gz KPDKIGGLMMSDBG-KGLIPLIRSA-N 2 0 241.423 1.681 20 0 BDADRP C[NH2+]C[C@@H]1CCCN1C[C@@H]([NH3+])CCC(C)(C)C ZINC000904300959 584861560 /nfs/dbraw/zinc/86/15/60/584861560.db2.gz CIBAVAWEXIZGOB-STQMWFEESA-N 2 0 241.423 1.824 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@H]2c2ccccn2)C1 ZINC000904309891 584862813 /nfs/dbraw/zinc/86/28/13/584862813.db2.gz SCGOBIJADBFOIL-SCRDCRAPSA-N 2 0 231.343 1.956 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)C1 ZINC000904313226 584863535 /nfs/dbraw/zinc/86/35/35/584863535.db2.gz XDZZWXKJXQLOGY-UTUOFQBUSA-N 2 0 234.347 1.326 20 0 BDADRP CC(C)C[C@H]1COCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904320057 584863968 /nfs/dbraw/zinc/86/39/68/584863968.db2.gz CECLCHGSBINYPL-XQQFMLRXSA-N 2 0 226.364 1.471 20 0 BDADRP CC(C)C[C@@H]1COCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904320056 584864068 /nfs/dbraw/zinc/86/40/68/584864068.db2.gz CECLCHGSBINYPL-FRRDWIJNSA-N 2 0 226.364 1.471 20 0 BDADRP CCCC[N@H+](CCOC)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904320745 584864217 /nfs/dbraw/zinc/86/42/17/584864217.db2.gz NXQGDCGBAHORLF-TXEJJXNPSA-N 2 0 214.353 1.472 20 0 BDADRP C[C@@H](O)C(C)(C)[NH2+]C[C@@H]([NH3+])CCC(C)(C)C ZINC000904330078 584865886 /nfs/dbraw/zinc/86/58/86/584865886.db2.gz YLRWVBZAYZTLOC-MNOVXSKESA-N 2 0 230.396 1.889 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCc3cc(F)ccc3C2)C1 ZINC000904328929 584865971 /nfs/dbraw/zinc/86/59/71/584865971.db2.gz JBIDOASMDYLVBC-WJONMLJTSA-N 2 0 234.318 1.921 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000904334119 584866919 /nfs/dbraw/zinc/86/69/19/584866919.db2.gz MIIBQSLEUKJFBT-XQQFMLRXSA-N 2 0 239.407 1.291 20 0 BDADRP CC1([NH3+])CCN(C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904333765 584866928 /nfs/dbraw/zinc/86/69/28/584866928.db2.gz FQMDDCOMUASGNB-GFCCVEGCSA-N 2 0 225.380 1.189 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC([C@@H]3CCCO3)CC2)C1 ZINC000904341484 584867136 /nfs/dbraw/zinc/86/71/36/584867136.db2.gz RWLSOYUIRZPDSB-YUTCNCBUSA-N 2 0 238.375 1.615 20 0 BDADRP COCC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CC[C@H](C)C1 ZINC000904346201 584868272 /nfs/dbraw/zinc/86/82/72/584868272.db2.gz QSCCUDUDNOFRKK-IGQOVBAYSA-N 2 0 240.391 1.861 20 0 BDADRP CC1(C)C[N@H+](C[C@@]2(C)CCC[NH2+]C2)C[C@H]1O ZINC000904346513 584868544 /nfs/dbraw/zinc/86/85/44/584868544.db2.gz SHPQFLCEELKBDV-YPMHNXCESA-N 2 0 226.364 1.079 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@]2(C)CCC[NH2+]C2)C[C@@H]1O ZINC000904346568 584868646 /nfs/dbraw/zinc/86/86/46/584868646.db2.gz UFGAJKAFTLMTJX-FRRDWIJNSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@H]([NH3+])c1ccc(C[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000904350640 584868739 /nfs/dbraw/zinc/86/87/39/584868739.db2.gz NYTCDSIXRPVDIV-VHRBIJSZSA-N 3 0 233.359 1.533 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)C1 ZINC000904350505 584868996 /nfs/dbraw/zinc/86/89/96/584868996.db2.gz NKSUELOLIBTYFN-XDQVBPFNSA-N 3 0 237.391 1.045 20 0 BDADRP [NH3+]Cc1ccc(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000904350715 584869345 /nfs/dbraw/zinc/86/93/45/584869345.db2.gz PVERPDXNSCTAHL-GJZGRUSLSA-N 2 0 245.370 1.329 20 0 BDADRP C[C@@H]1CN(C[C@@H]([NH3+])CCC(C)(C)C)[C@H](C)C[NH2+]1 ZINC000904351154 584869400 /nfs/dbraw/zinc/86/94/00/584869400.db2.gz VCERXRPGVWUNMK-UPJWGTAASA-N 2 0 241.423 1.822 20 0 BDADRP C[C@@H](C[NH3+])CNC[C@@H]([NH3+])CCC(C)(C)C ZINC000904353014 584869809 /nfs/dbraw/zinc/86/98/09/584869809.db2.gz GDUKWXFMQKVMBI-QWRGUYRKSA-N 3 0 215.385 1.324 20 0 BDADRP C[C@]1(CNC[C@@H]2CCCC[NH2+]2)CCC[NH2+]C1 ZINC000904353235 584869948 /nfs/dbraw/zinc/86/99/48/584869948.db2.gz JNGTZAJZFFKSTO-STQMWFEESA-N 3 0 225.380 1.108 20 0 BDADRP C[C@]1(C[NH2+]CCC[C@@H]2CCC[NH2+]2)CCC[NH2+]C1 ZINC000904354210 584870277 /nfs/dbraw/zinc/87/02/77/584870277.db2.gz CXFXUVCKNSQMQL-ZIAGYGMSSA-N 3 0 239.407 1.498 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000904354454 584870325 /nfs/dbraw/zinc/87/03/25/584870325.db2.gz YUKDSQMQUYSPMI-LLVKDONJSA-N 2 0 249.358 1.073 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CNC[C@H]1CCC[NH2+]1 ZINC000904353774 584870426 /nfs/dbraw/zinc/87/04/26/584870426.db2.gz QXNWDOGTOGZAER-NWDGAFQWSA-N 2 0 227.396 1.482 20 0 BDADRP c1cn(C2CC2)c(C[NH2+][C@@H]2CC23CC[NH2+]CC3)n1 ZINC000904354921 584870977 /nfs/dbraw/zinc/87/09/77/584870977.db2.gz LPDPUKPORLHKIL-GFCCVEGCSA-N 2 0 246.358 1.450 20 0 BDADRP CC[C@@H]([NH2+]C1CC(C[NH3+])C1)[C@@H]1CCCO1 ZINC000904362054 584871992 /nfs/dbraw/zinc/87/19/92/584871992.db2.gz GWUCMKKJPFJMFT-HCWSGVFWSA-N 2 0 212.337 1.271 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CN[C@H]1CCCC[NH2+]C1 ZINC000904357860 584872179 /nfs/dbraw/zinc/87/21/79/584872179.db2.gz BZGXAHNODUMOKH-OLZOCXBDSA-N 2 0 241.423 1.872 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CNCCC[NH2+]C1CC1 ZINC000904358892 584872304 /nfs/dbraw/zinc/87/23/04/584872304.db2.gz UMZNQSNTORRRJL-LBPRGKRZSA-N 2 0 241.423 1.872 20 0 BDADRP C[C@H]1[C@@H]([NH3+])CCN1C[C@@H]([NH3+])CCC(C)(C)C ZINC000904358524 584872308 /nfs/dbraw/zinc/87/23/08/584872308.db2.gz OKEFFTBPNVKWST-SRVKXCTJSA-N 2 0 227.396 1.562 20 0 BDADRP [NH3+]CCC[C@H]([NH2+]C1CC(C[NH3+])C1)c1ccccc1 ZINC000904358621 584872380 /nfs/dbraw/zinc/87/23/80/584872380.db2.gz QJHOVZXMADVBNE-ZALBZXLWSA-N 3 0 247.386 1.794 20 0 BDADRP Cc1ccsc1C[NH2+]C1CC(C[NH3+])C1 ZINC000904363901 584874430 /nfs/dbraw/zinc/87/44/30/584874430.db2.gz FECGQZXCJAMTGE-UHFFFAOYSA-N 2 0 210.346 1.883 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)C1 ZINC000904388580 584874959 /nfs/dbraw/zinc/87/49/59/584874959.db2.gz LANGLWSVEHXLKJ-OJLVUWQFSA-N 2 0 242.366 1.997 20 0 BDADRP C[C@@H]1C[N@H+](C[C@]2(C)CCC[NH2+]C2)C[C@H]1CC[NH3+] ZINC000904389158 584875027 /nfs/dbraw/zinc/87/50/27/584875027.db2.gz SHVLALXITMNNSA-MGPQQGTHSA-N 3 0 239.407 1.293 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCn3nc(C4CC4)cc3C2)C1 ZINC000904389739 584875278 /nfs/dbraw/zinc/87/52/78/584875278.db2.gz SKJGEDDHIHQMAL-KLPPZKSPSA-N 2 0 246.358 1.313 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1NC[C@H]([NH3+])CCC(C)(C)C ZINC000904381490 584876516 /nfs/dbraw/zinc/87/65/16/584876516.db2.gz WMUOKEASTAAMLK-FRRDWIJNSA-N 2 0 241.423 1.870 20 0 BDADRP C[C@@H]1CC[C@@H](NC[C@@H]([NH3+])CCC(C)(C)C)C[NH2+]1 ZINC000904381699 584877236 /nfs/dbraw/zinc/87/72/36/584877236.db2.gz RUJXPRKNMAEISV-FRRDWIJNSA-N 2 0 241.423 1.870 20 0 BDADRP [NH3+][C@H]1C[C@@H](CNc2ccc3c(c2)OCC[NH2+]C3)C1 ZINC000904381914 584877425 /nfs/dbraw/zinc/87/74/25/584877425.db2.gz XVWBUMJRZJJBKW-KLPPZKSPSA-N 2 0 247.342 1.318 20 0 BDADRP CCC1([NH3+])CCN(C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000904386141 584877994 /nfs/dbraw/zinc/87/79/94/584877994.db2.gz QFUXDLGMCDUEEX-ZDUSSCGKSA-N 2 0 239.407 1.579 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C2CCN(CC[NH3+])CC2)C1 ZINC000904386430 584878148 /nfs/dbraw/zinc/87/81/48/584878148.db2.gz ZUWPQQAWSMGLDH-YPMHNXCESA-N 2 0 225.380 1.188 20 0 BDADRP CC[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](CC[NH3+])C2)CCO1 ZINC000904406710 584878702 /nfs/dbraw/zinc/87/87/02/584878702.db2.gz UVQAVZKYCACSIF-MGPQQGTHSA-N 2 0 240.391 1.862 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CCSC2)CC[C@H]1C[NH3+] ZINC000904410926 584878843 /nfs/dbraw/zinc/87/88/43/584878843.db2.gz RSKDDXOKMPUQJV-UTUOFQBUSA-N 2 0 228.405 1.656 20 0 BDADRP C[C@H]1CN(CC[NH2+]C(C)(C)C)CC[C@H]1C[NH3+] ZINC000904409709 584878846 /nfs/dbraw/zinc/87/88/46/584878846.db2.gz GYGROZOEHHCTPL-RYUDHWBXSA-N 2 0 227.396 1.291 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](Cc2cccc3c2OCO3)C1 ZINC000904409608 584879247 /nfs/dbraw/zinc/87/92/47/584879247.db2.gz DJGXAINXTXHOJE-NSHDSACASA-N 2 0 248.326 1.586 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@]2(C)CCC[NH2+]C2)CC[C@H]1C[NH3+] ZINC000904410605 584879340 /nfs/dbraw/zinc/87/93/40/584879340.db2.gz PPAIRWRQTKHFHN-RDBSUJKOSA-N 3 0 239.407 1.293 20 0 BDADRP CCn1nccc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000904412341 584879580 /nfs/dbraw/zinc/87/95/80/584879580.db2.gz SXMCVYKXBHSPFP-RYUDHWBXSA-N 2 0 236.363 1.320 20 0 BDADRP CC1(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])OCCCO1 ZINC000817926902 584991287 /nfs/dbraw/zinc/99/12/87/584991287.db2.gz WAYQYIHPIWVRLS-VXGBXAGGSA-N 2 0 242.363 1.247 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]Cc1ccc(Cl)nc1 ZINC000138239671 585015876 /nfs/dbraw/zinc/01/58/76/585015876.db2.gz VIGFVFBMFYSGJA-QMMMGPOBSA-N 2 0 213.712 1.419 20 0 BDADRP C[N@H+](C[C@H]1CCOC1)CC1CC[NH+](C)CC1 ZINC000738312910 585042715 /nfs/dbraw/zinc/04/27/15/585042715.db2.gz ZCDQJVQTCVGFLC-CYBMUJFWSA-N 2 0 226.364 1.297 20 0 BDADRP O[C@@H](C[N@@H+]1CC[C@@H](Oc2ccncc2)C1)C1CC1 ZINC000838977963 585083900 /nfs/dbraw/zinc/08/39/00/585083900.db2.gz YJFREKBGHWESCH-KGLIPLIRSA-N 2 0 248.326 1.306 20 0 BDADRP C[NH2+][C@@H]1CCCN(C[C@@H]2C[C@@]23CCOC3)C1 ZINC000886827003 585180627 /nfs/dbraw/zinc/18/06/27/585180627.db2.gz BLFDMQATCXPKAD-YNEHKIRRSA-N 2 0 224.348 1.097 20 0 BDADRP CC[N@H+](C)C[C@@H]1CCN(c2cc(C)[nH+]c(N)n2)C1 ZINC000749146166 585199871 /nfs/dbraw/zinc/19/98/71/585199871.db2.gz CVPMSDDUGXHPQQ-NSHDSACASA-N 2 0 249.362 1.145 20 0 BDADRP CCCCCC[C@H](O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000759342134 585369294 /nfs/dbraw/zinc/36/92/94/585369294.db2.gz LTHQCPPZAPFUHO-IHRRRGAJSA-N 2 0 240.391 1.469 20 0 BDADRP CC(C)(C)OC1CC([NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000775937103 585687983 /nfs/dbraw/zinc/68/79/83/585687983.db2.gz BKDFMIMMGRXPSI-OKZRHMCRSA-N 2 0 238.375 1.484 20 0 BDADRP C[C@@H](Cc1ccncc1)[NH2+]CC1CC[NH+](C)CC1 ZINC000776724137 585703470 /nfs/dbraw/zinc/70/34/70/585703470.db2.gz YJLLENCNXQGFIB-ZDUSSCGKSA-N 2 0 247.386 1.944 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)CCO)C[NH+]1CCCC1 ZINC000779340694 585751782 /nfs/dbraw/zinc/75/17/82/585751782.db2.gz IZTPHCWBQQQRSB-NEPJUHHUSA-N 2 0 214.353 1.079 20 0 BDADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CC[C@H]2C)CC1 ZINC000783223976 585831238 /nfs/dbraw/zinc/83/12/38/585831238.db2.gz ORIGQXMQQLHLMB-ZIAGYGMSSA-N 2 0 239.407 1.402 20 0 BDADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2CC[C@@H]2C)CC1 ZINC000783250226 585832169 /nfs/dbraw/zinc/83/21/69/585832169.db2.gz WRVFOFJDUCYYJV-STQMWFEESA-N 2 0 240.391 1.610 20 0 BDADRP C[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000788471069 585925220 /nfs/dbraw/zinc/92/52/20/585925220.db2.gz SSKLKAVAPQUZJZ-NWDGAFQWSA-N 2 0 226.364 1.437 20 0 BDADRP C[C@@H](C[S@@](C)=O)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000788490084 585925512 /nfs/dbraw/zinc/92/55/12/585925512.db2.gz XEKKSZILXCXXST-MEDUHNTESA-N 2 0 246.420 1.027 20 0 BDADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)OCCC[NH+](C)C ZINC000792202742 585997695 /nfs/dbraw/zinc/99/76/95/585997695.db2.gz FSKCZRQZXQRZNL-RYUDHWBXSA-N 2 0 242.363 1.354 20 0 BDADRP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000794605230 586045563 /nfs/dbraw/zinc/04/55/63/586045563.db2.gz RPWQJCXWGYPYDI-RFQIPJPRSA-N 2 0 240.391 1.467 20 0 BDADRP CCOCC[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000795084576 586068189 /nfs/dbraw/zinc/06/81/89/586068189.db2.gz DYEYOHYVJLUDTK-CYBMUJFWSA-N 2 0 249.358 1.629 20 0 BDADRP CC[N@@H+]1CCN(CC[NH+]2CCCC2)[C@@H](C)C1 ZINC000796315636 586100443 /nfs/dbraw/zinc/10/04/43/586100443.db2.gz JFPUIZOMZSVTHD-ZDUSSCGKSA-N 2 0 225.380 1.108 20 0 BDADRP CO[C@H](C)C[NH+](C)CCC[N@@H+](C)C[C@H](C)OC ZINC000796642620 586109185 /nfs/dbraw/zinc/10/91/85/586109185.db2.gz RCBMSOBZOMMSOM-BETUJISGSA-N 2 0 246.395 1.310 20 0 BDADRP Cc1cc(N(C)CCC[NH+]2CCCC2)nc(N)[nH+]1 ZINC000798403760 586143492 /nfs/dbraw/zinc/14/34/92/586143492.db2.gz FSCFAMKRROXPHL-UHFFFAOYSA-N 2 0 249.362 1.289 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc[nH]c(=O)c1 ZINC000813325729 586600034 /nfs/dbraw/zinc/60/00/34/586600034.db2.gz JSQOUWZVMVPRBV-NEPJUHHUSA-N 2 0 249.358 1.780 20 0 BDADRP C[N@@H+]1CCC[C@]2(CC[NH+](CCCCO)C2)C1 ZINC000815145519 586670597 /nfs/dbraw/zinc/67/05/97/586670597.db2.gz XIQVWSLYIBYTNS-ZDUSSCGKSA-N 2 0 226.364 1.177 20 0 BDADRP CC[C@H](C(=O)N[C@@H](C[NH+](C)C)C(C)C)[NH+](C)C ZINC000840344938 586815170 /nfs/dbraw/zinc/81/51/70/586815170.db2.gz MWPATCXORKBGRV-NWDGAFQWSA-N 2 0 243.395 1.029 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CSCCS1 ZINC000817898556 586831221 /nfs/dbraw/zinc/83/12/21/586831221.db2.gz ISNKCBAHHVABKB-OPRDCNLKSA-N 2 0 232.418 1.304 20 0 BDADRP CSCC[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000817896627 586831570 /nfs/dbraw/zinc/83/15/70/586831570.db2.gz MKOBGKNOAKEIGD-VWYCJHECSA-N 2 0 216.394 1.858 20 0 BDADRP Cc1ccccc1[C@H](O)C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000817889107 586831801 /nfs/dbraw/zinc/83/18/01/586831801.db2.gz MLXHMKARKHYKMS-SGMGOOAPSA-N 2 0 236.359 1.744 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(Cl)nc1 ZINC000817891180 586833008 /nfs/dbraw/zinc/83/30/08/586833008.db2.gz HHFSJPYZBPATKY-RKDXNWHRSA-N 2 0 227.739 1.950 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1COc2ccccc2C1 ZINC000817891886 586833364 /nfs/dbraw/zinc/83/33/64/586833364.db2.gz PFDXWGLHCQMDNS-BNOWGMLFSA-N 2 0 246.354 1.707 20 0 BDADRP CCc1cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])[nH]n1 ZINC000817893348 586833818 /nfs/dbraw/zinc/83/38/18/586833818.db2.gz SFMASUKGUYIHDA-BDAKNGLRSA-N 2 0 210.325 1.188 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CSCCS1 ZINC000817897802 586834886 /nfs/dbraw/zinc/83/48/86/586834886.db2.gz BCKRLOSKGYZCIX-LPEHRKFASA-N 2 0 234.434 1.550 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000817901544 586835882 /nfs/dbraw/zinc/83/58/82/586835882.db2.gz WTZQFJKOPBZGBH-KWBADKCTSA-N 2 0 240.322 1.575 20 0 BDADRP Cc1cccc([C@H](O)C[NH2+][C@@H](C)C2C[NH2+]C2)c1 ZINC000817910779 586836817 /nfs/dbraw/zinc/83/68/17/586836817.db2.gz XQQGZSBFUCDUIH-SMDDNHRTSA-N 2 0 234.343 1.226 20 0 BDADRP Cc1cccc([C@H](O)C[NH2+][C@H](C)C2C[NH2+]C2)c1 ZINC000817910776 586837992 /nfs/dbraw/zinc/83/79/92/586837992.db2.gz XQQGZSBFUCDUIH-BXUZGUMPSA-N 2 0 234.343 1.226 20 0 BDADRP C[C@H](NCC[N@@H+]1CCC[C@@H]1C)c1c[nH+]ccc1N ZINC000817913306 586839065 /nfs/dbraw/zinc/83/90/65/586839065.db2.gz NLNWRHMZOAMETA-RYUDHWBXSA-N 2 0 248.374 1.629 20 0 BDADRP CC[C@@H]([NH2+]CCCCCCO)[C@@H]1CCC[NH2+]1 ZINC000817918761 586840010 /nfs/dbraw/zinc/84/00/10/586840010.db2.gz MOXMSAWFPCJWDO-OLZOCXBDSA-N 2 0 228.380 1.659 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCCCCCO ZINC000817918042 586840396 /nfs/dbraw/zinc/84/03/96/586840396.db2.gz GMYFBUQSYUZSLR-QWHCGFSZSA-N 2 0 228.380 1.517 20 0 BDADRP CC1(CC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])OCCO1 ZINC000817922898 586840467 /nfs/dbraw/zinc/84/04/67/586840467.db2.gz OCRKEYYIBKWEPR-VXGBXAGGSA-N 2 0 242.363 1.389 20 0 BDADRP C[C@@H]([NH2+][C@H](CCO)Cc1ccccc1)C1C[NH2+]C1 ZINC000817927371 586841227 /nfs/dbraw/zinc/84/12/27/586841227.db2.gz FPQLNQSKCKOCSR-IUODEOHRSA-N 2 0 248.370 1.178 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cccnc1F ZINC000817927364 586841523 /nfs/dbraw/zinc/84/15/23/586841523.db2.gz JXTGSXCCNVJXKE-SNVBAGLBSA-N 2 0 225.311 1.828 20 0 BDADRP Cc1cc(C)cc([C@H](O)C[NH2+][C@H](C)C2C[NH2+]C2)c1 ZINC000817929661 586842157 /nfs/dbraw/zinc/84/21/57/586842157.db2.gz KBRGNSJTUOXINQ-IUODEOHRSA-N 2 0 248.370 1.534 20 0 BDADRP CCc1ccc([C@H](O)C[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000817929271 586842179 /nfs/dbraw/zinc/84/21/79/586842179.db2.gz LSORZKOKMYOVRG-XHDPSFHLSA-N 2 0 248.370 1.480 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000817942085 586845312 /nfs/dbraw/zinc/84/53/12/586845312.db2.gz XMVJVMFYLSPEED-NSHDSACASA-N 2 0 234.343 1.882 20 0 BDADRP [NH3+]CCc1ccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000817949136 586847153 /nfs/dbraw/zinc/84/71/53/586847153.db2.gz OGZXOVOZEZBCML-GJZGRUSLSA-N 3 0 247.386 1.405 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CC[NH3+])cc2)[C@H](C)O1 ZINC000817950773 586848295 /nfs/dbraw/zinc/84/82/95/586848295.db2.gz ZVWDFAGYNHVPEZ-TYNCELHUSA-N 2 0 248.370 1.843 20 0 BDADRP CC[NH2+]CC(=O)Nc1ccccc1C[NH2+]CC ZINC000818560322 586901562 /nfs/dbraw/zinc/90/15/62/586901562.db2.gz LMLJIXSBPIQUIG-UHFFFAOYSA-N 2 0 235.331 1.344 20 0 BDADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)C2CC2)C1 ZINC000818984902 586919573 /nfs/dbraw/zinc/91/95/73/586919573.db2.gz MUABTTZSSVDASO-JSGCOSHPSA-N 2 0 240.391 1.467 20 0 BDADRP Cc1ncc(C[N@@H+]2CCC[C@@H](CO)CC2)n1C ZINC000826015777 587348320 /nfs/dbraw/zinc/34/83/20/587348320.db2.gz BXFJXHIVFAALJA-GFCCVEGCSA-N 2 0 237.347 1.323 20 0 BDADRP [NH3+]Cc1cccc(C(=O)NC2CCC([NH3+])CC2)c1 ZINC000832502726 587664142 /nfs/dbraw/zinc/66/41/42/587664142.db2.gz WDHIIIFRMJVGND-UHFFFAOYSA-N 2 0 247.342 1.145 20 0 BDADRP CCCCCC[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000834821894 587767696 /nfs/dbraw/zinc/76/76/96/587767696.db2.gz UQFGRHXDDYPCMF-NWDGAFQWSA-N 2 0 243.395 1.350 20 0 BDADRP CCCCCC[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000834821895 587767791 /nfs/dbraw/zinc/76/77/91/587767791.db2.gz UQFGRHXDDYPCMF-RYUDHWBXSA-N 2 0 243.395 1.350 20 0 BDADRP [NH3+][C@@H](CC(=O)Nc1ccc2c(c1)C[NH2+]C2)C1CC1 ZINC000834845939 587768613 /nfs/dbraw/zinc/76/86/13/587768613.db2.gz JUXAVYPYXXADRF-ZDUSSCGKSA-N 2 0 245.326 1.356 20 0 BDADRP CC[N@H+](CCC[NH3+])C[C@H](O)c1ccc(C)cc1 ZINC000841010675 587935090 /nfs/dbraw/zinc/93/50/90/587935090.db2.gz ZGRDYGRSPYKVFP-AWEZNQCLSA-N 2 0 236.359 1.699 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]Cc1cnc2ccccc2c1 ZINC000841047750 587939322 /nfs/dbraw/zinc/93/93/22/587939322.db2.gz CHEIKRSPEZAJDG-LLVKDONJSA-N 2 0 229.327 1.919 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(Cl)nc1 ZINC000841078385 587944952 /nfs/dbraw/zinc/94/49/52/587944952.db2.gz CHEYKSWGGISOTH-SECBINFHSA-N 2 0 227.739 1.952 20 0 BDADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)CCCCCC[NH3+] ZINC000841849197 587978039 /nfs/dbraw/zinc/97/80/39/587978039.db2.gz BDYJILINOPUBTP-NWDGAFQWSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@H]1CC[N@H+](CCCCCCC[NH3+])C[C@@H]1C[NH3+] ZINC000842478543 588029901 /nfs/dbraw/zinc/02/99/01/588029901.db2.gz KQBOTJMBYJYMGJ-KBPBESRZSA-N 3 0 241.423 1.812 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)CCCCC[NH3+])c1 ZINC000842515229 588032236 /nfs/dbraw/zinc/03/22/36/588032236.db2.gz NAPDYKIWPOTRJN-UHFFFAOYSA-N 2 0 249.358 1.911 20 0 BDADRP CC(C)([NH3+])C[N@@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000843067703 588078336 /nfs/dbraw/zinc/07/83/36/588078336.db2.gz HJBDDHZNABKVSR-LLVKDONJSA-N 2 0 242.363 1.199 20 0 BDADRP [NH3+]C1CCC([NH2+]Cc2cnc3ccccn23)CC1 ZINC000843106064 588081577 /nfs/dbraw/zinc/08/15/77/588081577.db2.gz KKGQXWWJVKLGHD-UHFFFAOYSA-N 2 0 244.342 1.694 20 0 BDADRP C[C@@]1(C[NH2+]C[C@H](O)c2ccsc2)CC[NH2+]C1 ZINC000843125496 588083866 /nfs/dbraw/zinc/08/38/66/588083866.db2.gz AQJVUQJDDZAIJF-NWDGAFQWSA-N 2 0 240.372 1.371 20 0 BDADRP [NH3+]CCc1ccc(CN[C@@H]2CCC[NH2+]C2)cc1 ZINC000843125770 588084310 /nfs/dbraw/zinc/08/43/10/588084310.db2.gz HRZWUENNRJTDBP-CQSZACIVSA-N 2 0 233.359 1.029 20 0 BDADRP [NH3+]CCCCCC[NH2+]CC1CC[NH2+]CC1 ZINC000843128149 588085158 /nfs/dbraw/zinc/08/51/58/588085158.db2.gz UPARGXWHJKVQJZ-UHFFFAOYSA-N 3 0 213.369 1.095 20 0 BDADRP Cc1noc(C)c1C[NH2+]CCCCCC[NH3+] ZINC000843129729 588085696 /nfs/dbraw/zinc/08/56/96/588085696.db2.gz ZEFFTXADEZCNQV-UHFFFAOYSA-N 2 0 225.336 1.900 20 0 BDADRP Cc1cc([C@@H](C)[NH2+]CCCCCC[NH3+])n(C)n1 ZINC000843343010 588101498 /nfs/dbraw/zinc/10/14/98/588101498.db2.gz WJQKYDKGRAAMKQ-GFCCVEGCSA-N 2 0 238.379 1.898 20 0 BDADRP CCCN(CCCCCCC[NH3+])[C@@H]1CC[NH2+]C1 ZINC000843349322 588102324 /nfs/dbraw/zinc/10/23/24/588102324.db2.gz URVOITRBCIXVGG-CQSZACIVSA-N 2 0 241.423 1.970 20 0 BDADRP C[N@H+](CCC[NH3+])CCCCCCC[NH3+] ZINC000843351104 588102605 /nfs/dbraw/zinc/10/26/05/588102605.db2.gz GSXZFOQYEDSIKE-UHFFFAOYSA-N 3 0 201.358 1.176 20 0 BDADRP CCCCOC(=O)CC[N@H+](C)CC(C)(C)C[NH3+] ZINC000843355345 588102900 /nfs/dbraw/zinc/10/29/00/588102900.db2.gz SVMCQZFPCNNPKG-UHFFFAOYSA-N 2 0 244.379 1.637 20 0 BDADRP CCN(C)C(=O)CC[N@H+](C)C1CCC([NH3+])CC1 ZINC000843355263 588102941 /nfs/dbraw/zinc/10/29/41/588102941.db2.gz OLHMNEQEZVSNDT-UHFFFAOYSA-N 2 0 241.379 1.057 20 0 BDADRP CCOC(=O)CC[N@H+](C)C1CCC([NH3+])CC1 ZINC000843354562 588103147 /nfs/dbraw/zinc/10/31/47/588103147.db2.gz CPMNPZWJDBCDEO-UHFFFAOYSA-N 2 0 228.336 1.141 20 0 BDADRP C[C@H]1C[N@H+](CCCCCCC[NH3+])CC[C@@H]1[NH3+] ZINC000843354289 588103301 /nfs/dbraw/zinc/10/33/01/588103301.db2.gz XNYIWZODGKSEAZ-STQMWFEESA-N 3 0 227.396 1.565 20 0 BDADRP CCCCOC(=O)CC[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000843353971 588103377 /nfs/dbraw/zinc/10/33/77/588103377.db2.gz SXMAKQMLIWACCH-VXGBXAGGSA-N 2 0 242.363 1.389 20 0 BDADRP CCC[C@H]1CNCC[N@@H+]1CCCCCCC[NH3+] ZINC000843365454 588104262 /nfs/dbraw/zinc/10/42/62/588104262.db2.gz JSGNUFIZJMAXJA-AWEZNQCLSA-N 2 0 241.423 1.970 20 0 BDADRP CCCCOC(=O)CC[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000843365392 588104345 /nfs/dbraw/zinc/10/43/45/588104345.db2.gz GSCUMRDPJQXNLH-VXGBXAGGSA-N 2 0 242.363 1.389 20 0 BDADRP CC1([NH3+])CC[NH+](CCCCCCC[NH3+])CC1 ZINC000843375369 588104884 /nfs/dbraw/zinc/10/48/84/588104884.db2.gz KZTMZJWYQIXGHU-UHFFFAOYSA-N 3 0 227.396 1.709 20 0 BDADRP [NH3+][C@@H]1CN(C[C@H]2CC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000843381035 588105268 /nfs/dbraw/zinc/10/52/68/588105268.db2.gz KAMAACBYFLMWOG-AEGPPILISA-N 2 0 245.370 1.023 20 0 BDADRP C[C@@]1(C[NH3+])CC[N@H+](CCCCCCC[NH3+])C1 ZINC000843383455 588105894 /nfs/dbraw/zinc/10/58/94/588105894.db2.gz WLSJCQIHNTYXIE-ZDUSSCGKSA-N 2 0 227.396 1.566 20 0 BDADRP C[C@@H](CC(=O)OCCn1ccnc1)n1ccnc1 ZINC000845282022 588225548 /nfs/dbraw/zinc/22/55/48/588225548.db2.gz LBBUAMZCZVVYAZ-NSHDSACASA-N 2 0 248.286 1.274 20 0 BDADRP C[NH2+][C@@H]1CCCN(CCCCCC[NH3+])C1 ZINC000846217401 588260350 /nfs/dbraw/zinc/26/03/50/588260350.db2.gz GPTSTHAGGXUHKI-GFCCVEGCSA-N 3 0 213.369 1.189 20 0 BDADRP C[NH2+]C[C@@](C)(O)C[NH+]1CCCCCCC1 ZINC000846217714 588260471 /nfs/dbraw/zinc/26/04/71/588260471.db2.gz MWTDXXRNUWYKIE-GFCCVEGCSA-N 2 0 214.353 1.223 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](CCCCCC[NH3+])C1 ZINC000846218203 588260823 /nfs/dbraw/zinc/26/08/23/588260823.db2.gz UIKOLWMQXUZTHQ-GFCCVEGCSA-N 3 0 213.369 1.047 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000846220833 588261242 /nfs/dbraw/zinc/26/12/42/588261242.db2.gz VOSOTKISONQKFU-MELADBBJSA-N 3 0 239.407 1.565 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000846220390 588261355 /nfs/dbraw/zinc/26/13/55/588261355.db2.gz IDMWCCSDAVKJHN-OLZOCXBDSA-N 3 0 225.380 1.189 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000846220832 588261497 /nfs/dbraw/zinc/26/14/97/588261497.db2.gz VOSOTKISONQKFU-IHRRRGAJSA-N 3 0 239.407 1.565 20 0 BDADRP C[C@@H]1CCC[N@H+](CCCCCC[NH3+])[C@H]1CC[NH3+] ZINC000846226405 588261758 /nfs/dbraw/zinc/26/17/58/588261758.db2.gz MPPFAZFWFACWSP-KGLIPLIRSA-N 3 0 241.423 1.955 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCCc3n[nH]cc32)C1 ZINC000848556708 588397154 /nfs/dbraw/zinc/39/71/54/588397154.db2.gz BYNGOMIEPPAGJQ-NTZNESFSSA-N 2 0 248.374 1.717 20 0 BDADRP [NH3+]CCCCCC[NH2+]Cc1ccccn1 ZINC000107780498 588405841 /nfs/dbraw/zinc/40/58/41/588405841.db2.gz SMFNPQBBHNWZFW-UHFFFAOYSA-N 2 0 207.321 1.690 20 0 BDADRP CCc1cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)[nH]n1 ZINC000848716593 588407902 /nfs/dbraw/zinc/40/79/02/588407902.db2.gz FADQHERKIHZTDP-GXSJLCMTSA-N 2 0 222.336 1.332 20 0 BDADRP [NH3+]CCCCCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000848714630 588408168 /nfs/dbraw/zinc/40/81/68/588408168.db2.gz RVKDIJYUOFSDPP-NWDGAFQWSA-N 3 0 213.369 1.365 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H](O)c2ccco2)C1 ZINC000848719991 588408304 /nfs/dbraw/zinc/40/83/04/588408304.db2.gz QJIQOFGLEJXJLG-OUAUKWLOSA-N 2 0 224.304 1.173 20 0 BDADRP Cc1ncc(CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000848719445 588408574 /nfs/dbraw/zinc/40/85/74/588408574.db2.gz FKWKNGFBFNIQQV-GHMZBOCLSA-N 2 0 239.388 1.854 20 0 BDADRP C[C@@H]1CCC[N@@H+]1CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000848720184 588408705 /nfs/dbraw/zinc/40/87/05/588408705.db2.gz SUDPSCWKAFRLML-AGIUHOORSA-N 2 0 225.380 1.330 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@@H]2CCC=CO2)C1 ZINC000848923113 588421149 /nfs/dbraw/zinc/42/11/49/588421149.db2.gz GIHNEVHJKWMRNE-XQQFMLRXSA-N 2 0 224.348 1.609 20 0 BDADRP C[NH+](C)C1(CNC(=[NH2+])N2CCC2)CCCCC1 ZINC000848981140 588423607 /nfs/dbraw/zinc/42/36/07/588423607.db2.gz QCCOZSQBJJVKGQ-UHFFFAOYSA-N 2 0 238.379 1.481 20 0 BDADRP CCC(CC)[C@@H](CNC1=[NH+]CCN1C)[NH+](C)C ZINC000848984237 588425078 /nfs/dbraw/zinc/42/50/78/588425078.db2.gz BUWZUTZHJVKRJD-GFCCVEGCSA-N 2 0 240.395 1.244 20 0 BDADRP CCNC(=[NH2+])NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000848986831 588425845 /nfs/dbraw/zinc/42/58/45/588425845.db2.gz GPKVPRJROXNONN-LBPRGKRZSA-N 2 0 240.395 1.631 20 0 BDADRP CCNC(=[NH2+])NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000848989605 588426631 /nfs/dbraw/zinc/42/66/31/588426631.db2.gz ZPMDIOAUAYUBGY-LBPRGKRZSA-N 2 0 240.395 1.632 20 0 BDADRP CC(C)(C)[NH2+]CCCNC(=[NH2+])N1CCCCC1 ZINC000848994075 588428123 /nfs/dbraw/zinc/42/81/23/588428123.db2.gz OMTJEAHEXQENAB-UHFFFAOYSA-N 2 0 240.395 1.775 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](CNC(=[NH2+])NC2CCC2)C1 ZINC000848996160 588428974 /nfs/dbraw/zinc/42/89/74/588428974.db2.gz IABCVJHQYJLBLH-NSHDSACASA-N 2 0 238.379 1.383 20 0 BDADRP C[C@@H](CNC(=[NH2+])NC1CCC1)[N@H+](C)C1CC1 ZINC000849001581 588430814 /nfs/dbraw/zinc/43/08/14/588430814.db2.gz DUNZVSRZWPSQMP-VIFPVBQESA-N 2 0 224.352 1.136 20 0 BDADRP CC[C@H](C)NC(=[NH2+])NCC1(C)CC[NH+](C)CC1 ZINC000849016589 588437154 /nfs/dbraw/zinc/43/71/54/588437154.db2.gz UUWVZYPAAJJYSI-NSHDSACASA-N 2 0 240.395 1.631 20 0 BDADRP CC(C)NC(=[NH2+])NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000849022982 588439284 /nfs/dbraw/zinc/43/92/84/588439284.db2.gz BMJHPHORIAZCBY-GFCCVEGCSA-N 2 0 238.379 1.526 20 0 BDADRP CC1(C)CCC[N@H+](CCNC(=[NH2+])NC2CC2)C1 ZINC000849023027 588439457 /nfs/dbraw/zinc/43/94/57/588439457.db2.gz GMVIVHJGSKXIIX-UHFFFAOYSA-N 2 0 238.379 1.385 20 0 BDADRP CC(C)CNC(=[NH2+])NCCCC[N@H+](C)C1CC1 ZINC000849039481 588447022 /nfs/dbraw/zinc/44/70/22/588447022.db2.gz AONPNMVDCBKGSW-UHFFFAOYSA-N 2 0 240.395 1.631 20 0 BDADRP CC(C)C[C@@H](CNC1=[NH+]CCCCN1)[NH+](C)C ZINC000849214990 588461960 /nfs/dbraw/zinc/46/19/60/588461960.db2.gz HLTNMTRGMTWMAD-LBPRGKRZSA-N 2 0 240.395 1.292 20 0 BDADRP CC(C)C[N@H+](C)CCCNC1=[NH+]CCCCN1 ZINC000849218481 588463049 /nfs/dbraw/zinc/46/30/49/588463049.db2.gz XEXTYWZAQYKHMH-UHFFFAOYSA-N 2 0 240.395 1.293 20 0 BDADRP [NH3+]C1(C[NH2+]C[C@H]2CCCOC2)CCCC1 ZINC000849349645 588474470 /nfs/dbraw/zinc/47/44/70/588474470.db2.gz FQKLEQNQUCFYSR-LLVKDONJSA-N 2 0 212.337 1.274 20 0 BDADRP C[N@H+](CCOC(F)F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000852040325 588657092 /nfs/dbraw/zinc/65/70/92/588657092.db2.gz JZHZKNIIQCKAAE-ZACCUICWSA-N 2 0 248.317 1.783 20 0 BDADRP CCC[N@H+](C)CC(C)(C)NCC[NH+]1CCCC1 ZINC000852715698 588697409 /nfs/dbraw/zinc/69/74/09/588697409.db2.gz TYRLIFXMIZJBKL-UHFFFAOYSA-N 2 0 241.423 1.792 20 0 BDADRP CO[C@@H](C[N@@H+]1CCC[C@H](C[NH3+])C1)C1CCC1 ZINC000852743876 588697855 /nfs/dbraw/zinc/69/78/55/588697855.db2.gz MRJRCHCWRVDIOA-YPMHNXCESA-N 2 0 226.364 1.472 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](CCOC(F)F)C1 ZINC000852748442 588699576 /nfs/dbraw/zinc/69/95/76/588699576.db2.gz VVKHQWKKOYFRDJ-VIFPVBQESA-N 2 0 222.279 1.286 20 0 BDADRP C[N@H+](C[C@H](O)C[NH+]1CCCC1)C[C@H]1CC1(C)C ZINC000852774787 588701918 /nfs/dbraw/zinc/70/19/18/588701918.db2.gz ZFWFTWXKBNSFQE-OLZOCXBDSA-N 2 0 240.391 1.421 20 0 BDADRP C[N@H+](C[C@H](O)C[NH+]1CCCC1)C[C@@H]1CC1(C)C ZINC000852774789 588702017 /nfs/dbraw/zinc/70/20/17/588702017.db2.gz ZFWFTWXKBNSFQE-STQMWFEESA-N 2 0 240.391 1.421 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000863544404 589295645 /nfs/dbraw/zinc/29/56/45/589295645.db2.gz SQWOIVMYFCNHHE-VXGBXAGGSA-N 2 0 214.353 1.247 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H](C)CC(C)(C)C ZINC000863543994 589297266 /nfs/dbraw/zinc/29/72/66/589297266.db2.gz ICOFDAQCQRJVSR-LLVKDONJSA-N 2 0 216.369 1.637 20 0 BDADRP COC(=O)C1=CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000863541415 589297321 /nfs/dbraw/zinc/29/73/21/589297321.db2.gz IHVILBQLUOPBSO-JQWIXIFHSA-N 2 0 240.347 1.355 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1[NH2+]C1CCC2(CC1)OCCO2 ZINC000863547622 589298474 /nfs/dbraw/zinc/29/84/74/589298474.db2.gz SVUNMTQDUBFSMZ-CMPLNLGQSA-N 2 0 240.347 1.012 20 0 BDADRP FCC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000863576331 589301204 /nfs/dbraw/zinc/30/12/04/589301204.db2.gz QHNULGVKJVSCLD-LBPRGKRZSA-N 2 0 230.327 1.046 20 0 BDADRP Cn1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000863641532 589306347 /nfs/dbraw/zinc/30/63/47/589306347.db2.gz GOEDUJNFXOFZTI-NSHDSACASA-N 2 0 207.321 1.196 20 0 BDADRP CC[C@@H]1CCN(C(=[NH2+])NCC[NH+](CC)CC)C1 ZINC000864451419 589364852 /nfs/dbraw/zinc/36/48/52/589364852.db2.gz GQBSFNRKSUPXJE-GFCCVEGCSA-N 2 0 240.395 1.584 20 0 BDADRP CCC(CC)NC(=[NH2+])NC[C@H](C)[NH+]1CCCC1 ZINC000864453548 589365940 /nfs/dbraw/zinc/36/59/40/589365940.db2.gz NCWITHIGAKWENK-NSHDSACASA-N 2 0 240.395 1.773 20 0 BDADRP C[C@H]1C[C@H]1NC(=[NH2+])NCC[NH+]1CCC(C)CC1 ZINC000864453894 589366117 /nfs/dbraw/zinc/36/61/17/589366117.db2.gz QZCYZKVYPYVOPX-NWDGAFQWSA-N 2 0 238.379 1.241 20 0 BDADRP C[C@H](CNC(=[NH2+])N[C@H]1C[C@H]1C)[NH+]1CCCCC1 ZINC000864455462 589366326 /nfs/dbraw/zinc/36/63/26/589366326.db2.gz QHKDQZYPKHDTOD-UTUOFQBUSA-N 2 0 238.379 1.383 20 0 BDADRP C[C@@H]1C[C@H]1NC(=[NH2+])NCCC[NH2+]C(C)(C)C ZINC000864454594 589366461 /nfs/dbraw/zinc/36/64/61/589366461.db2.gz OYFJZWAAWPNYOS-NXEZZACHSA-N 2 0 226.368 1.287 20 0 BDADRP C[C@@H]1C[C@@H]1NC(=[NH2+])NCCC[NH2+]C(C)(C)C ZINC000864454597 589366477 /nfs/dbraw/zinc/36/64/77/589366477.db2.gz OYFJZWAAWPNYOS-ZJUUUORDSA-N 2 0 226.368 1.287 20 0 BDADRP CCC(CC)NC(=[NH2+])NCCNc1cc[nH+]cc1 ZINC000864455611 589366976 /nfs/dbraw/zinc/36/69/76/589366976.db2.gz VRSFGTNBSHWTRJ-UHFFFAOYSA-N 2 0 249.362 1.218 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@H]1C ZINC000864458616 589368350 /nfs/dbraw/zinc/36/83/50/589368350.db2.gz OYADDJQYEUKRKY-UTUOFQBUSA-N 2 0 238.379 1.383 20 0 BDADRP CCC(CC)NC(=[NH2+])NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000864469327 589372759 /nfs/dbraw/zinc/37/27/59/589372759.db2.gz PISNFPDTDVXDTH-KLPPZKSPSA-N 2 0 240.395 1.629 20 0 BDADRP C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000865658911 589454963 /nfs/dbraw/zinc/45/49/63/589454963.db2.gz DKMJFHVSMWVVMQ-FRRDWIJNSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@@H]1CN(C)C[C@H]1[NH2+]CC[C@H]1CCCS1 ZINC000865724973 589458687 /nfs/dbraw/zinc/45/86/87/589458687.db2.gz OVXBQBFFOUIZKL-IJLUTSLNSA-N 2 0 228.405 1.812 20 0 BDADRP Cc1c[nH+]ccc1N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000865996931 589472062 /nfs/dbraw/zinc/47/20/62/589472062.db2.gz QSZVXWOWXCGGSA-LBPRGKRZSA-N 2 0 249.358 1.069 20 0 BDADRP C[C@H]1C[C@H](N)C[N@@H+]1CCCCCCC[NH3+] ZINC000866681987 589507682 /nfs/dbraw/zinc/50/76/82/589507682.db2.gz DPCFOBIZOTYPAW-RYUDHWBXSA-N 2 0 213.369 1.317 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCN(Cc2coc(C3CC3)n2)C1 ZINC000866661540 589508776 /nfs/dbraw/zinc/50/87/76/589508776.db2.gz SNEXXDIKXRBKKL-GXSJLCMTSA-N 2 0 235.331 1.721 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCN(Cc2coc(C3CC3)n2)C1 ZINC000866661543 589508912 /nfs/dbraw/zinc/50/89/12/589508912.db2.gz SNEXXDIKXRBKKL-ONGXEEELSA-N 2 0 235.331 1.721 20 0 BDADRP CC1(C)CC[NH2+]CC[N@@H+]1Cc1cccc(N)c1 ZINC000866699417 589513004 /nfs/dbraw/zinc/51/30/04/589513004.db2.gz NZABVOPWKWPOOC-UHFFFAOYSA-N 2 0 233.359 1.843 20 0 BDADRP C(C[N@@H+]1CC[C@H]2CSC[C@H]2C1)[C@H]1CC[NH2+]C1 ZINC000866702848 589513718 /nfs/dbraw/zinc/51/37/18/589513718.db2.gz CCBWDFKHMXSPCN-FRRDWIJNSA-N 2 0 240.416 1.671 20 0 BDADRP CC(C)[C@H]1C[N@H+](CCCCCC[NH3+])CCN1C ZINC000866702883 589513784 /nfs/dbraw/zinc/51/37/84/589513784.db2.gz HUEOTPLHVPDAPD-CQSZACIVSA-N 2 0 241.423 1.778 20 0 BDADRP CC1(C)[C@H]([NH3+])c2ccccc2N1CCOCC[NH3+] ZINC000866701915 589513912 /nfs/dbraw/zinc/51/39/12/589513912.db2.gz RJEHWDKBNHQCSD-CYBMUJFWSA-N 2 0 249.358 1.260 20 0 BDADRP C1=CCC(C[N@@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)C1 ZINC000866724978 589516432 /nfs/dbraw/zinc/51/64/32/589516432.db2.gz QBEBSGWYHNFVGA-OLZOCXBDSA-N 2 0 206.333 1.779 20 0 BDADRP C[C@H](CCCC[NH3+])NC(=O)CC[NH2+]CC1CC1 ZINC000870946277 589700310 /nfs/dbraw/zinc/70/03/10/589700310.db2.gz FWAYZKZEXNGVRC-LLVKDONJSA-N 2 0 241.379 1.010 20 0 BDADRP C[C@H](NC(=O)CCCCC[NH3+])C1CC[NH2+]CC1 ZINC000870987862 589706777 /nfs/dbraw/zinc/70/67/77/589706777.db2.gz VHIPQUYTNLSWMD-NSHDSACASA-N 2 0 241.379 1.010 20 0 BDADRP C1C[NH2+][C@@H](c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)C1 ZINC000871792145 589819666 /nfs/dbraw/zinc/81/96/66/589819666.db2.gz PJNXYGSSZRMFOO-HUAZRZQGSA-N 2 0 248.330 1.492 20 0 BDADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2C[C@H](O)C2)CC1 ZINC000872125997 589876233 /nfs/dbraw/zinc/87/62/33/589876233.db2.gz GYNABKIVJPITQA-AULYBMBSSA-N 2 0 240.391 1.610 20 0 BDADRP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000872141920 589882522 /nfs/dbraw/zinc/88/25/22/589882522.db2.gz ZPVNPLUIBVPUPA-RFGFWPKPSA-N 2 0 240.391 1.907 20 0 BDADRP C[C@](C[NH3+])([NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1)C1CC1 ZINC000872141609 589882575 /nfs/dbraw/zinc/88/25/75/589882575.db2.gz LMBMEPOIHOEVHO-VZZFWQQMSA-N 2 0 238.375 1.661 20 0 BDADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1cccc(N)c1)C2 ZINC000872153557 589885352 /nfs/dbraw/zinc/88/53/52/589885352.db2.gz DLCKIJNGTYSZOJ-GXTWGEPZSA-N 2 0 231.343 1.310 20 0 BDADRP CC1([NH+]2CCCCC2)CCN(CC[NH3+])CC1 ZINC000872146568 589885450 /nfs/dbraw/zinc/88/54/50/589885450.db2.gz RBYXCRPQWGNVDK-UHFFFAOYSA-N 2 0 225.380 1.286 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@H+](C)CCCCCC[NH3+] ZINC000872156405 589885470 /nfs/dbraw/zinc/88/54/70/589885470.db2.gz JDCWJPYOEFBYME-STQMWFEESA-N 2 0 228.380 1.862 20 0 BDADRP C[C@H]1OCC[C@@H]1C[N@H+](C)CCCCCC[NH3+] ZINC000872156402 589885505 /nfs/dbraw/zinc/88/55/05/589885505.db2.gz JDCWJPYOEFBYME-CHWSQXEVSA-N 2 0 228.380 1.862 20 0 BDADRP COCC1([N@H+](C)CC[C@H]2CC[NH2+]C2)CCC1 ZINC000872157055 589886554 /nfs/dbraw/zinc/88/65/54/589886554.db2.gz HMYURBHNSRNINR-GFCCVEGCSA-N 2 0 226.364 1.487 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H]2CCSC2)C1 ZINC000872253167 589900482 /nfs/dbraw/zinc/90/04/82/589900482.db2.gz ZYBDWBSSKOBGQE-MNOVXSKESA-N 2 0 228.405 1.860 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@H]2CCCOC2)C1 ZINC000872253017 589900540 /nfs/dbraw/zinc/90/05/40/589900540.db2.gz YOHHKWZKJDHUOJ-QWHCGFSZSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872300229 589908109 /nfs/dbraw/zinc/90/81/09/589908109.db2.gz HWTQLWHLWVIGTK-YFKTTZPYSA-N 2 0 241.379 1.136 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872300227 589908233 /nfs/dbraw/zinc/90/82/33/589908233.db2.gz HWTQLWHLWVIGTK-QCNOEVLYSA-N 2 0 241.379 1.136 20 0 BDADRP COCCC[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000873211631 589990213 /nfs/dbraw/zinc/99/02/13/589990213.db2.gz QTXYDUZBKOLQCV-UHFFFAOYSA-N 2 0 240.372 1.520 20 0 BDADRP CC(C)[C@@H](C[NH3+])C[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000873210491 589995591 /nfs/dbraw/zinc/99/55/91/589995591.db2.gz HWRMLPQSROGTDE-HNNXBMFYSA-N 3 0 249.402 1.508 20 0 BDADRP C[C@H]([NH3+])CN(C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873212078 589996090 /nfs/dbraw/zinc/99/60/90/589996090.db2.gz GXBWWJFLVWSLHM-VIFPVBQESA-N 2 0 239.388 1.173 20 0 BDADRP C[C@H]1C[NH2+]C[C@H](Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C1 ZINC000873216967 589998280 /nfs/dbraw/zinc/99/82/80/589998280.db2.gz ZIISKODLKVFSMT-QPKOPYBWSA-N 2 0 245.370 1.911 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)C1CC[NH2+]CC1 ZINC000873220100 589998639 /nfs/dbraw/zinc/99/86/39/589998639.db2.gz JJWYPPGYZLKSOH-RAIGVLPGSA-N 3 0 225.380 1.234 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)C1CC[NH2+]CC1 ZINC000873220097 589998787 /nfs/dbraw/zinc/99/87/87/589998787.db2.gz JJWYPPGYZLKSOH-DRZSPHRISA-N 3 0 225.380 1.234 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCO[C@H]1C)C1CC[NH2+]CC1 ZINC000873221585 589999634 /nfs/dbraw/zinc/99/96/34/589999634.db2.gz XXWCFBGTLKHSPY-SCVCMEIPSA-N 2 0 212.337 1.142 20 0 BDADRP C[N@H+](CCCCCC[NH3+])CC1(C[NH3+])CC1 ZINC000873231556 590003152 /nfs/dbraw/zinc/00/31/52/590003152.db2.gz OCYVZVANQCGEEM-UHFFFAOYSA-N 3 0 213.369 1.176 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)CC[NH2+]1 ZINC000873231857 590003291 /nfs/dbraw/zinc/00/32/91/590003291.db2.gz SAKYRSIBWZCTDL-YIYPIFLZSA-N 3 0 237.391 1.249 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC[C@H]1CCSC1 ZINC000873234676 590003998 /nfs/dbraw/zinc/00/39/98/590003998.db2.gz FNERCZYRHPOVMO-AXFHLTTASA-N 2 0 216.394 1.845 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccnc(F)c1 ZINC000873241435 590005221 /nfs/dbraw/zinc/00/52/21/590005221.db2.gz HHSUYZGTNKGPFN-BDAKNGLRSA-N 2 0 211.284 1.436 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1F ZINC000873239604 590005314 /nfs/dbraw/zinc/00/53/14/590005314.db2.gz YWGYBIBCELVLTF-PJSNJIKXSA-N 2 0 244.354 1.609 20 0 BDADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCCc3n[nH]cc32)CC1 ZINC000873239595 590006108 /nfs/dbraw/zinc/00/61/08/590006108.db2.gz YRQDRCXQFSYVPV-NQBHXWOUSA-N 2 0 248.374 1.894 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cc2n(n1)CCC2 ZINC000873249257 590007080 /nfs/dbraw/zinc/00/70/80/590007080.db2.gz JPZCNWQIGUPONG-MXWKQRLJSA-N 2 0 234.347 1.217 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000873249069 590007396 /nfs/dbraw/zinc/00/73/96/590007396.db2.gz ICBXMNGXYULHMX-XHJNMGKDSA-N 3 0 237.391 1.234 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000873251034 590008358 /nfs/dbraw/zinc/00/83/58/590008358.db2.gz ICLSBLKVLBCXPC-FQUUOJAGSA-N 2 0 238.375 1.519 20 0 BDADRP Cc1ccncc1[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873252675 590008846 /nfs/dbraw/zinc/00/88/46/590008846.db2.gz VDXKDWSMZZTSSV-SDDRHHMPSA-N 2 0 219.332 1.778 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CCCSC2)C1 ZINC000873252206 590009023 /nfs/dbraw/zinc/00/90/23/590009023.db2.gz QDDRLFAIYAUWBN-AEJSXWLSSA-N 2 0 200.351 1.209 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCCc3occc32)C1 ZINC000873252072 590009164 /nfs/dbraw/zinc/00/91/64/590009164.db2.gz ZTCZKQZLRLMUCC-JFGNBEQYSA-N 2 0 220.316 1.984 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCCCC1CC1 ZINC000873253551 590009641 /nfs/dbraw/zinc/00/96/41/590009641.db2.gz ZBBFMLKVBNNHGB-FPMFFAJLSA-N 2 0 240.391 1.909 20 0 BDADRP Cn1ccnc1[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)C1CC1 ZINC000873254790 590010116 /nfs/dbraw/zinc/01/01/16/590010116.db2.gz ANMXXKVQPQVOJU-DLOVCJGASA-N 2 0 234.347 1.198 20 0 BDADRP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873255212 590010126 /nfs/dbraw/zinc/01/01/26/590010126.db2.gz DREMXHSHLVRUJZ-ZDEQEGDKSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cccnc1 ZINC000873255404 590011014 /nfs/dbraw/zinc/01/10/14/590011014.db2.gz FZMKURNQJJIKKI-CKYFFXLPSA-N 2 0 205.305 1.470 20 0 BDADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000873256254 590011217 /nfs/dbraw/zinc/01/12/17/590011217.db2.gz NEVDETIFTZAXLQ-DMTCVQMQSA-N 3 0 231.343 1.458 20 0 BDADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CCCSC2)C1 ZINC000873256755 590011915 /nfs/dbraw/zinc/01/19/15/590011915.db2.gz QDDRLFAIYAUWBN-GUBZILKMSA-N 2 0 200.351 1.209 20 0 BDADRP CC(C)[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)CCO1 ZINC000873258873 590012685 /nfs/dbraw/zinc/01/26/85/590012685.db2.gz WOPQPZVQIGZETH-ZDEQEGDKSA-N 2 0 226.364 1.517 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)O1 ZINC000873262341 590014273 /nfs/dbraw/zinc/01/42/73/590014273.db2.gz XHJZQUQHVCGBDN-HUXGKSLCSA-N 2 0 238.375 1.673 20 0 BDADRP C[C@H]1CN(C)C[C@@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873263551 590014527 /nfs/dbraw/zinc/01/45/27/590014527.db2.gz JKZHJGSLVFLNPE-HPCHECBXSA-N 2 0 237.391 1.057 20 0 BDADRP CN1Cc2ccccc2[C@@H]1C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000873266788 590015505 /nfs/dbraw/zinc/01/55/05/590015505.db2.gz QNOZSFUPUXFVAX-KKUMJFAQSA-N 2 0 245.370 1.643 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)C1CC[NH2+]CC1 ZINC000873268559 590015650 /nfs/dbraw/zinc/01/56/50/590015650.db2.gz XAIICRCUICEIGE-YRGRVCCFSA-N 2 0 239.407 1.447 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCn2ccnc21)C1CC[NH2+]CC1 ZINC000873270753 590016429 /nfs/dbraw/zinc/01/64/29/590016429.db2.gz BLNDJECHIZZINU-CMPLNLGQSA-N 2 0 234.347 1.306 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@H]1C[NH3+])C1CC[NH2+]CC1 ZINC000873272480 590016472 /nfs/dbraw/zinc/01/64/72/590016472.db2.gz UCGHNTSLTYOEEI-DRZSPHRISA-N 3 0 225.380 1.092 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)[C@H]1CCCC[NH2+]1 ZINC000873272823 590016664 /nfs/dbraw/zinc/01/66/64/590016664.db2.gz WSBIRQRPRJLIOZ-OUCADQQQSA-N 3 0 239.407 1.495 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000873290187 590023117 /nfs/dbraw/zinc/02/31/17/590023117.db2.gz OSBASHMXPZMWIQ-AAEUAGOBSA-N 2 0 238.375 1.533 20 0 BDADRP C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877136881 590291175 /nfs/dbraw/zinc/29/11/75/590291175.db2.gz MVVBJGLOKGTHQC-WTTBSCSTSA-N 2 0 247.342 1.423 20 0 BDADRP C[C@@H]([NH3+])CCC(=O)N(C)CCCCCC[NH3+] ZINC000877437899 590328336 /nfs/dbraw/zinc/32/83/36/590328336.db2.gz BCFDNDJVOJJMBT-LLVKDONJSA-N 2 0 229.368 1.091 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1)C1CC1 ZINC000877741382 590409096 /nfs/dbraw/zinc/40/90/96/590409096.db2.gz VLNLIRDDHFYOLF-HZSPNIEDSA-N 2 0 238.375 1.437 20 0 BDADRP CC[C@](C)(C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1)OC ZINC000877743480 590412274 /nfs/dbraw/zinc/41/22/74/590412274.db2.gz WGQPEGDZYBIFOT-BFHYXJOUSA-N 2 0 240.391 1.828 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](CC3(O)CCCC3)CC[C@@H]21 ZINC000879573336 590809525 /nfs/dbraw/zinc/80/95/25/590809525.db2.gz NSZRPQUCIBEIKW-OLZOCXBDSA-N 2 0 238.375 1.318 20 0 BDADRP C[N@@H+]1CC[C@H]2C[NH+]([C@@H]3CCCC[C@H]3O)CC[C@H]21 ZINC000879570789 590809945 /nfs/dbraw/zinc/80/99/45/590809945.db2.gz FTVMTJHFUJUMPN-REWJHTLYSA-N 2 0 238.375 1.316 20 0 BDADRP C[N@@H+]1CC[C@H]2C[NH+](CC3(C)COC3)CC[C@@H]21 ZINC000879574273 590813761 /nfs/dbraw/zinc/81/37/61/590813761.db2.gz YWKIONMQJYZVGP-RYUDHWBXSA-N 2 0 224.348 1.049 20 0 BDADRP C[NH+]1CC[C@H]2CN(C[C@H]3CCC[N@H+]3C)CC[C@@H]21 ZINC000879579055 590816617 /nfs/dbraw/zinc/81/66/17/590816617.db2.gz IXLFVTXVQWMIEF-MJBXVCDLSA-N 2 0 237.391 1.107 20 0 BDADRP CC(C)[C@H](O)CC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580866 590822759 /nfs/dbraw/zinc/82/27/59/590822759.db2.gz VDCBAHXXZBFNKK-MELADBBJSA-N 2 0 240.391 1.419 20 0 BDADRP C[C@@H](CO)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880261847 590979718 /nfs/dbraw/zinc/97/97/18/590979718.db2.gz YVKJRZPLOREXAI-CHWSQXEVSA-N 2 0 249.358 1.221 20 0 BDADRP C[C@H](CO)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880261849 590980847 /nfs/dbraw/zinc/98/08/47/590980847.db2.gz YVKJRZPLOREXAI-QWHCGFSZSA-N 2 0 249.358 1.221 20 0 BDADRP FC[C@H]1CC[NH+](CCC[N@H+]2CC[C@H](CF)C2)C1 ZINC000880298864 590993169 /nfs/dbraw/zinc/99/31/69/590993169.db2.gz LNROPGLYCIQGGF-CHWSQXEVSA-N 2 0 246.345 1.959 20 0 BDADRP C[C@@H]1CC[C@H](CO)[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000880439719 591042840 /nfs/dbraw/zinc/04/28/40/591042840.db2.gz ICVFGLHDRUCTBK-FRRDWIJNSA-N 2 0 226.364 1.316 20 0 BDADRP COCC[C@@H](C)[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880473360 591053181 /nfs/dbraw/zinc/05/31/81/591053181.db2.gz XGAVTMXDORDAOI-CYBMUJFWSA-N 2 0 240.391 1.972 20 0 BDADRP [NH3+]CCCCCCC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000130341774 591459223 /nfs/dbraw/zinc/45/92/23/591459223.db2.gz BGZJYAPAHHGQPY-LBPRGKRZSA-N 2 0 241.379 1.154 20 0 BDADRP Cc1nc(C)c(CN[C@@H](C[NH3+])C(C)(C)C)o1 ZINC000883429641 591660215 /nfs/dbraw/zinc/66/02/15/591660215.db2.gz ARJPWMHJKVQANA-NSHDSACASA-N 2 0 225.336 1.754 20 0 BDADRP CC1(C)[C@H]([NH2+]CCCCCCC[NH3+])C[C@@H]1[NH3+] ZINC000883441940 591669453 /nfs/dbraw/zinc/66/94/53/591669453.db2.gz ASMAGEYKGGXDTN-NWDGAFQWSA-N 3 0 227.396 1.611 20 0 BDADRP CCCCOC(=O)CC[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000883442856 591669509 /nfs/dbraw/zinc/66/95/09/591669509.db2.gz UOMCBEDNSDWBKQ-MNOVXSKESA-N 2 0 242.363 1.435 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCCCCCC[NH3+] ZINC000883441942 591669938 /nfs/dbraw/zinc/66/99/38/591669938.db2.gz ASMAGEYKGGXDTN-VXGBXAGGSA-N 3 0 227.396 1.611 20 0 BDADRP CCC1([NH+]2CCCCC2)CCN(CC[NH3+])CC1 ZINC000883447476 591670994 /nfs/dbraw/zinc/67/09/94/591670994.db2.gz CTXKYWOKVWHVSM-UHFFFAOYSA-N 2 0 239.407 1.676 20 0 BDADRP CC1(C)Nc2ccccc2[C@H]1[NH2+]CCC[NH3+] ZINC000883464740 591675660 /nfs/dbraw/zinc/67/56/60/591675660.db2.gz VIRVHFBLDHUGRB-GFCCVEGCSA-N 2 0 219.332 1.870 20 0 BDADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@H](C)CCCC[NH3+] ZINC000884292317 591896051 /nfs/dbraw/zinc/89/60/51/591896051.db2.gz WGXJEHOYVJPRHX-NEPJUHHUSA-N 2 0 243.395 1.254 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)CCCCCC[NH3+] ZINC000884347932 591908924 /nfs/dbraw/zinc/90/89/24/591908924.db2.gz KDPBHDRMSMSGBG-GHMZBOCLSA-N 2 0 241.379 1.138 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)c1cccc(C[NH3+])c1 ZINC000884358636 591912828 /nfs/dbraw/zinc/91/28/28/591912828.db2.gz USLIKIQOBWPGIU-VXGBXAGGSA-N 2 0 247.342 1.001 20 0 BDADRP C[NH+](C)C1CC[NH+](C[C@@H]2C[C@@]23CCOC3)CC1 ZINC000885953862 592115241 /nfs/dbraw/zinc/11/52/41/592115241.db2.gz HRLCZPHNMSLKFM-GXTWGEPZSA-N 2 0 238.375 1.439 20 0 BDADRP Cc1n[nH]c(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1C ZINC000886155430 592164524 /nfs/dbraw/zinc/16/45/24/592164524.db2.gz FDNWECDKSBUIOX-TXEJJXNPSA-N 2 0 236.363 1.456 20 0 BDADRP C(C[C@H]1CCCO1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000886313100 592205832 /nfs/dbraw/zinc/20/58/32/592205832.db2.gz XSNCLKOMIIAARE-HZSPNIEDSA-N 2 0 238.375 1.772 20 0 BDADRP C(C[C@H]1CCCO1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000886313101 592205891 /nfs/dbraw/zinc/20/58/91/592205891.db2.gz XSNCLKOMIIAARE-MELADBBJSA-N 2 0 238.375 1.772 20 0 BDADRP CCC1([NH+]2CCC2)CC[NH+](CC[C@H](C)O)CC1 ZINC000886717582 592310870 /nfs/dbraw/zinc/31/08/70/592310870.db2.gz CTDJVXRFUSZGAB-ZDUSSCGKSA-N 2 0 240.391 1.708 20 0 BDADRP [NH3+]CC1CC[NH+](C[C@H]2C[C@@]23CCOC3)CC1 ZINC000886827233 592352281 /nfs/dbraw/zinc/35/22/81/592352281.db2.gz HFOOZUFFVWBZRV-CHWSQXEVSA-N 2 0 224.348 1.084 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC000886838124 592356524 /nfs/dbraw/zinc/35/65/24/592356524.db2.gz RJJUCFFHOYPPKZ-YNEHKIRRSA-N 2 0 224.348 1.084 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H]2C[C@]23CCOC3)CC[C@H]1[NH3+] ZINC000886837321 592358658 /nfs/dbraw/zinc/35/86/58/592358658.db2.gz FCYAUPCVXIOWLR-RQJABVFESA-N 2 0 238.375 1.472 20 0 BDADRP c1n[nH]cc1CC[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886876193 592379110 /nfs/dbraw/zinc/37/91/10/592379110.db2.gz WBTJPNTUAMUXRG-AWEZNQCLSA-N 2 0 248.374 1.418 20 0 BDADRP C[C@H](O)CC[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887134854 592449363 /nfs/dbraw/zinc/44/93/63/592449363.db2.gz RCQFNHRNXSUIBW-STQMWFEESA-N 2 0 249.358 1.363 20 0 BDADRP OCCCCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300414536 592511933 /nfs/dbraw/zinc/51/19/33/592511933.db2.gz LWHDFAATPMXIRW-KBPBESRZSA-N 2 0 240.391 1.756 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000925703372 634379419 /nfs/dbraw/zinc/37/94/19/634379419.db2.gz DKCSTZNLFALUBQ-LOWDOPEQSA-N 3 0 237.391 1.105 20 0 BDADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]C/C=C\CO ZINC000925702686 634380147 /nfs/dbraw/zinc/38/01/47/634380147.db2.gz AIWNTOLAIJHNBY-ZPQKOGNWSA-N 2 0 224.348 1.031 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925704585 634384989 /nfs/dbraw/zinc/38/49/89/634384989.db2.gz YWSHSSGPMDZSHU-FRRDWIJNSA-N 3 0 237.391 1.201 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ncc[nH]1 ZINC000925705973 634387857 /nfs/dbraw/zinc/38/78/57/634387857.db2.gz JNVLOVIFQIEKLN-ZJUUUORDSA-N 2 0 220.320 1.202 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)C12CCC2 ZINC000925705270 634388088 /nfs/dbraw/zinc/38/80/88/634388088.db2.gz AYOMFNWNVGDVMH-GCHJQGSQSA-N 2 0 222.332 1.166 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925706776 634390915 /nfs/dbraw/zinc/39/09/15/634390915.db2.gz KLOJWLZEUUTWMY-NDBYEHHHSA-N 3 0 239.407 1.480 20 0 BDADRP CO[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@H]1C ZINC000299911462 634397475 /nfs/dbraw/zinc/39/74/75/634397475.db2.gz MSPWSZALLZWYSW-FVCCEPFGSA-N 2 0 226.364 1.471 20 0 BDADRP C1CCC([C@H]2C[NH2+]CC[C@@H]2N[C@H]2CC[NH2+]C2)C1 ZINC000925707991 634399366 /nfs/dbraw/zinc/39/93/66/634399366.db2.gz AUJRBTCSJJCNBV-MJBXVCDLSA-N 2 0 237.391 1.106 20 0 BDADRP [NH3+]C[C@H](N[C@H]1CC[NH2+]C12CCC2)C1CCCC1 ZINC000925708719 634404571 /nfs/dbraw/zinc/40/45/71/634404571.db2.gz NGEAEOMGUAXCNM-STQMWFEESA-N 2 0 237.391 1.378 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000925714459 634427748 /nfs/dbraw/zinc/42/77/48/634427748.db2.gz YTWSDSOZSBRGMJ-YYHQMBLXSA-N 2 0 238.375 1.802 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+][C@H]2COCC2(C)C)CC1 ZINC000313117645 634451720 /nfs/dbraw/zinc/45/17/20/634451720.db2.gz PPHICDUGNFXRTE-LBPRGKRZSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H]([NH2+][C@H]1CCCN[C@@H]1C)C1CC[NH2+]CC1 ZINC000925730242 634553611 /nfs/dbraw/zinc/55/36/11/634553611.db2.gz VDQBRIGLPZNCIK-LOWVWBTDSA-N 2 0 225.380 1.105 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](CC(=O)Nc2ccccc2)C1 ZINC000125566557 634556599 /nfs/dbraw/zinc/55/65/99/634556599.db2.gz CIBSWDOQCOZLCO-LBPRGKRZSA-N 2 0 247.342 1.296 20 0 BDADRP C1=C[C@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925732232 634571663 /nfs/dbraw/zinc/57/16/63/634571663.db2.gz PDNCZBQZRILBGK-RYUDHWBXSA-N 2 0 206.333 1.827 20 0 BDADRP C1=C[C@@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925732221 634571783 /nfs/dbraw/zinc/57/17/83/634571783.db2.gz PDNCZBQZRILBGK-NEPJUHHUSA-N 2 0 206.333 1.827 20 0 BDADRP CC(C)([NH3+])CCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000925736493 634590082 /nfs/dbraw/zinc/59/00/82/634590082.db2.gz AKQHUZUARKGEIW-CHWSQXEVSA-N 2 0 233.359 1.848 20 0 BDADRP CC[NH2+]CC(=O)N(CC)CCC[NH+](CC)CC ZINC000230712739 635492369 /nfs/dbraw/zinc/49/23/69/635492369.db2.gz NWECRLRSQUQOOO-UHFFFAOYSA-N 2 0 243.395 1.176 20 0 BDADRP Cc1cc(CC[NH2+][C@H](C)CCCC[NH3+])nn1C ZINC000925835755 635486461 /nfs/dbraw/zinc/48/64/61/635486461.db2.gz VGRCDDHBDURVCA-LLVKDONJSA-N 2 0 238.379 1.378 20 0 BDADRP [NH3+][C@H]1C[C@@H](NC[C@]23CCC[C@H]2[NH2+]CC3)C12CCC2 ZINC000925838658 635502431 /nfs/dbraw/zinc/50/24/31/635502431.db2.gz NODKMKZUKOZBQV-REWJHTLYSA-N 2 0 249.402 1.378 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)[C@@H](C)O1 ZINC000925841805 635506308 /nfs/dbraw/zinc/50/63/08/635506308.db2.gz SWPHYNABLDVINQ-DHGKCCLASA-N 2 0 238.375 1.674 20 0 BDADRP CCC[C@@H](O)CC[NH2+][C@@H](C)CCCC[NH3+] ZINC000925853790 635543185 /nfs/dbraw/zinc/54/31/85/635543185.db2.gz BPNNOVQBCQFYSJ-NWDGAFQWSA-N 2 0 216.369 1.645 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+]CCCC[NH+](C)C)C12CCC2 ZINC000308364950 631306284 /nfs/dbraw/zinc/30/62/84/631306284.db2.gz KDSFFIWEHRIOKE-QWHCGFSZSA-N 2 0 240.391 1.875 20 0 BDADRP [NH3+]CCCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000085542388 631460614 /nfs/dbraw/zinc/46/06/14/631460614.db2.gz TXYMKJALLGGVQB-BETUJISGSA-N 2 0 226.364 1.759 20 0 BDADRP C[NH+](C)CCCC[NH2+]C1CC(C(F)F)C1 ZINC000309030892 631806584 /nfs/dbraw/zinc/80/65/84/631806584.db2.gz DPXYDMFTGLAKAI-UHFFFAOYSA-N 2 0 220.307 1.962 20 0 BDADRP CC1CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000309058472 631832593 /nfs/dbraw/zinc/83/25/93/631832593.db2.gz AVQSJYKPYOACFM-ZDUSSCGKSA-N 2 0 226.364 1.175 20 0 BDADRP CC(C)CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000309056614 631832935 /nfs/dbraw/zinc/83/29/35/631832935.db2.gz QPWAYDLRONBAOO-CYBMUJFWSA-N 2 0 228.380 1.421 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000227612771 631882415 /nfs/dbraw/zinc/88/24/15/631882415.db2.gz RWLZTKUCEFFHQC-XQHKEYJVSA-N 2 0 226.364 1.255 20 0 BDADRP OCCCCCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000309251972 631982638 /nfs/dbraw/zinc/98/26/38/631982638.db2.gz FFHAXUJTUWOQAV-CHWSQXEVSA-N 2 0 226.364 1.223 20 0 BDADRP c1csc(CC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000309286369 631991059 /nfs/dbraw/zinc/99/10/59/631991059.db2.gz OUHKAIWGAXBPGK-YPMHNXCESA-N 2 0 236.384 1.974 20 0 BDADRP COc1ccc(C[N@@H+]2CC[C@H](CC[NH3+])C2)cc1 ZINC000075072495 632029906 /nfs/dbraw/zinc/02/99/06/632029906.db2.gz ZMCCKFZJXHOBND-ZDUSSCGKSA-N 2 0 234.343 1.866 20 0 BDADRP CC[N@@H+]1CC[C@H](CNC(=[NH2+])NCC(C)C)C1 ZINC000052042189 632054732 /nfs/dbraw/zinc/05/47/32/632054732.db2.gz KCTYDXBPBBOODC-LLVKDONJSA-N 2 0 226.368 1.098 20 0 BDADRP CS[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000235165675 632391331 /nfs/dbraw/zinc/39/13/31/632391331.db2.gz MALQGEAISUPWEJ-WRWGMCAJSA-N 2 0 228.405 1.988 20 0 BDADRP CC[NH+]1CCN([C@@H](C)C[NH2+]C(C)C)CC1 ZINC000052422209 632405031 /nfs/dbraw/zinc/40/50/31/632405031.db2.gz RRYQDDQBBNHUTK-LBPRGKRZSA-N 2 0 213.369 1.010 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CCN2CCC([NH3+])CC2)C1 ZINC000129400451 632426340 /nfs/dbraw/zinc/42/63/40/632426340.db2.gz KRYGKXLRZKUVEP-YPMHNXCESA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCSC[C@H]1C ZINC000235264051 632592097 /nfs/dbraw/zinc/59/20/97/632592097.db2.gz ZYHSVCBBPGABRV-MXWKQRLJSA-N 2 0 214.378 1.279 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000310082813 632700264 /nfs/dbraw/zinc/70/02/64/632700264.db2.gz KQPKKVWPTIBQOL-UONOGXRCSA-N 2 0 240.391 1.598 20 0 BDADRP O[C@@H](C[NH+]1CCCC1)C[NH+]1CCCCCCC1 ZINC000310136833 632702737 /nfs/dbraw/zinc/70/27/37/632702737.db2.gz ZQIRJYNKAPILGV-CQSZACIVSA-N 2 0 240.391 1.709 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]1C[NH3+])C1CCOCC1 ZINC000235513619 632770358 /nfs/dbraw/zinc/77/03/58/632770358.db2.gz YVGZDIXEOAOPIS-CYZMBNFOSA-N 2 0 226.364 1.519 20 0 BDADRP Cc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2CC[NH3+])n1 ZINC000091996150 632776109 /nfs/dbraw/zinc/77/61/09/632776109.db2.gz ITMUOURLWMJEIM-GFCCVEGCSA-N 2 0 249.358 1.799 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c2ncnn21 ZINC000926666357 632794578 /nfs/dbraw/zinc/79/45/78/632794578.db2.gz SWFLNFXPVPELKO-WISYIIOYSA-N 2 0 249.362 1.214 20 0 BDADRP CCNC(NC[C@H](CC(C)C)[NH+](C)C)=[NH+]CC ZINC000066245038 632859952 /nfs/dbraw/zinc/85/99/52/632859952.db2.gz XAISXWBWHYMKRL-LBPRGKRZSA-N 2 0 242.411 1.538 20 0 BDADRP CNC(NC[C@H](C1CCCCC1)[NH+](C)C)=[NH+]C ZINC000066245365 632861527 /nfs/dbraw/zinc/86/15/27/632861527.db2.gz YPUFPWYONRXQQC-GFCCVEGCSA-N 2 0 240.395 1.292 20 0 BDADRP CCN1CC[N@H+](CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000894408312 635893308 /nfs/dbraw/zinc/89/33/08/635893308.db2.gz ZLURXMFOGCORBU-CYBMUJFWSA-N 2 0 239.407 1.354 20 0 BDADRP CC[N@H+](CCNC(=O)CC1([NH3+])CCC1)C(C)C ZINC000167203609 633126319 /nfs/dbraw/zinc/12/63/19/633126319.db2.gz HIBFMYUFYBSQCV-UHFFFAOYSA-N 2 0 241.379 1.104 20 0 BDADRP [NH3+][C@H](CC(F)F)C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000309511191 633184610 /nfs/dbraw/zinc/18/46/10/633184610.db2.gz PJBTZBYSNSGAHW-OUAUKWLOSA-N 2 0 230.302 1.867 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCS1 ZINC000123492376 636015138 /nfs/dbraw/zinc/01/51/38/636015138.db2.gz KAXTYSDKLPVSHQ-MXWKQRLJSA-N 2 0 214.378 1.551 20 0 BDADRP C[NH+](C)CCCN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925503087 633828826 /nfs/dbraw/zinc/82/88/26/633828826.db2.gz MWAAJCWIPBRCLT-VXGBXAGGSA-N 2 0 227.396 1.434 20 0 BDADRP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925511364 633852857 /nfs/dbraw/zinc/85/28/57/633852857.db2.gz LTRIGQJIPWNQBV-WUHRBBMRSA-N 2 0 242.407 1.889 20 0 BDADRP CCC(CC)(CCO)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925527698 633913815 /nfs/dbraw/zinc/91/38/15/633913815.db2.gz PNBQTKYDQBQWDV-GFCCVEGCSA-N 2 0 242.407 1.905 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@H]1CCCO1 ZINC000925535817 633933616 /nfs/dbraw/zinc/93/36/16/633933616.db2.gz LLTSZVIVDRTJSG-NFMDPKQHSA-N 2 0 238.375 1.661 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)CC1 ZINC000895442711 636145576 /nfs/dbraw/zinc/14/55/76/636145576.db2.gz KIIUVAXSUPZHNS-KGLIPLIRSA-N 2 0 238.375 1.297 20 0 BDADRP CO[C@@H](C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000309975784 634010295 /nfs/dbraw/zinc/01/02/95/634010295.db2.gz SOFJGCYLESULMO-WODVXLOZSA-N 2 0 226.364 1.626 20 0 BDADRP Cc1cc(N[C@@H](C)C[N@H+](C)C(C)C)nc(N)[nH+]1 ZINC000310102137 634073543 /nfs/dbraw/zinc/07/35/43/634073543.db2.gz NUJQYQMPJUPIHF-JTQLQIEISA-N 2 0 237.351 1.508 20 0 BDADRP Cc1n[nH]cc1C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925580858 634085534 /nfs/dbraw/zinc/08/55/34/634085534.db2.gz OJXOEQMRHNDLDX-NWDGAFQWSA-N 2 0 236.363 1.714 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](O)c1ccccc1 ZINC000310280930 634104935 /nfs/dbraw/zinc/10/49/35/634104935.db2.gz PMSBXGIPROLPKO-TZMCWYRMSA-N 2 0 236.359 1.827 20 0 BDADRP CC[C@H](CO)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925612470 634150187 /nfs/dbraw/zinc/15/01/87/634150187.db2.gz RUSAAYMNRXITPX-HBNTYKKESA-N 2 0 214.353 1.253 20 0 BDADRP CCC[N@@H+]1CC[C@@H](CN[C@H]2CC[NH2+]C2(C)C)C1 ZINC000925613447 634152383 /nfs/dbraw/zinc/15/23/83/634152383.db2.gz RBVSTKSDFLMGSQ-STQMWFEESA-N 2 0 239.407 1.448 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCc3c[nH]nc3C2)C12CCC2 ZINC000925616606 634165078 /nfs/dbraw/zinc/16/50/78/634165078.db2.gz SFNANMGOXGSCJA-UHTWSYAYSA-N 2 0 246.358 1.127 20 0 BDADRP CC1(C)C[C@@H]([NH2+][C@H](CCO)C2CC2)C[C@@H]([NH3+])C1 ZINC000925618008 634170301 /nfs/dbraw/zinc/17/03/01/634170301.db2.gz FFPDVYYPFHCWNC-FRRDWIJNSA-N 2 0 240.391 1.643 20 0 BDADRP COCCC1(C[NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925618962 634173801 /nfs/dbraw/zinc/17/38/01/634173801.db2.gz XNNKUDWSHJTBQD-LBPRGKRZSA-N 2 0 238.375 1.677 20 0 BDADRP CC(C)(CCO)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925620893 634180182 /nfs/dbraw/zinc/18/01/82/634180182.db2.gz BWQDJCLNPSXMET-LBPRGKRZSA-N 2 0 240.391 1.659 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CC2(CO)CCC2)C1 ZINC000925648330 634203054 /nfs/dbraw/zinc/20/30/54/634203054.db2.gz SWYVVLPEPVFJSZ-NWDGAFQWSA-N 2 0 240.391 1.645 20 0 BDADRP CCC[N@@H+]1CCC[C@H]1CN[C@H]1CCC[NH2+][C@H]1C ZINC000925670390 634250910 /nfs/dbraw/zinc/25/09/10/634250910.db2.gz JMPUAHGTPHFHAB-IHRRRGAJSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H]1COCC[C@H]1C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925670521 634254591 /nfs/dbraw/zinc/25/45/91/634254591.db2.gz LTYNGUVZVPHRFO-WOPDTQHZSA-N 2 0 226.364 1.389 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)N[C@H]1CCC[NH2+][C@H]1C ZINC000925676487 634265679 /nfs/dbraw/zinc/26/56/79/634265679.db2.gz MQERRNAVSQKQCI-IHRRRGAJSA-N 2 0 241.423 1.837 20 0 BDADRP CCC[N@H+](CC)C[C@@H](C)N[C@@H]1CC[NH2+]C1(C)C ZINC000925676065 634266239 /nfs/dbraw/zinc/26/62/39/634266239.db2.gz MIDDNORGERTOGV-CHWSQXEVSA-N 2 0 241.423 1.837 20 0 BDADRP CC(C)(CO)CC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925679687 634277355 /nfs/dbraw/zinc/27/73/55/634277355.db2.gz LPTYOKGYANHMGT-LBPRGKRZSA-N 2 0 240.391 1.659 20 0 BDADRP CCC1([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000925681419 634280404 /nfs/dbraw/zinc/28/04/04/634280404.db2.gz ZHFOADMKXVSLFU-KKJSVHSVSA-N 2 0 206.333 1.515 20 0 BDADRP C[C@H](Cc1cnn(C)c1)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925687568 634304515 /nfs/dbraw/zinc/30/45/15/634304515.db2.gz CUPWYYZDVVGERO-RTXFEEFZSA-N 2 0 248.374 1.211 20 0 BDADRP CC1(C)[C@H](N[C@H]2CCC[NH2+]C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925689784 634308977 /nfs/dbraw/zinc/30/89/77/634308977.db2.gz ILYAXEMWOYAZND-QNWHQSFQSA-N 2 0 237.391 1.105 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1NCc1ccc2c[nH+]cn2c1 ZINC000925691725 634320380 /nfs/dbraw/zinc/32/03/80/634320380.db2.gz IYVHADQNWVKDAC-FZMZJTMJSA-N 2 0 244.342 1.564 20 0 BDADRP CC(C)C[C@H](C[NH3+])N[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925695262 634346493 /nfs/dbraw/zinc/34/64/93/634346493.db2.gz VDJMCPLKZBGMRY-RWMBFGLXSA-N 2 0 241.423 1.855 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[C@H]2O)C12CCC2 ZINC000925696140 634352508 /nfs/dbraw/zinc/35/25/08/634352508.db2.gz YZFLTSFHUVTPPV-IRCOFANPSA-N 2 0 224.348 1.007 20 0 BDADRP C(N[C@@H]1CC[NH2+]C12CCCC2)[C@@H]1CCCC[NH2+]1 ZINC000925695781 634353190 /nfs/dbraw/zinc/35/31/90/634353190.db2.gz XIEMBIIIIIZKHQ-QWHCGFSZSA-N 2 0 237.391 1.393 20 0 BDADRP CC[NH2+]CCN[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925695813 634353373 /nfs/dbraw/zinc/35/33/73/634353373.db2.gz XYCZPHIUTLGSQN-QWRGUYRKSA-N 2 0 213.369 1.092 20 0 BDADRP CCCC[C@@H](C[NH3+])N[C@H]1CC[NH2+]C1(C)C ZINC000925698080 634362428 /nfs/dbraw/zinc/36/24/28/634362428.db2.gz IBMYSCSPNOGJPZ-QWRGUYRKSA-N 2 0 213.369 1.234 20 0 BDADRP CC1(C[NH2+][C@@H]2CC[NH2+]C23CCC3)CC[NH2+]CC1 ZINC000925699370 634366840 /nfs/dbraw/zinc/36/68/40/634366840.db2.gz OIEUXDWUDCEXAI-GFCCVEGCSA-N 3 0 237.391 1.250 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@@H]1CC[NH2+]C12CCCC2 ZINC000925700616 634370855 /nfs/dbraw/zinc/37/08/55/634370855.db2.gz VYHMLLFTOFHDBD-CHWSQXEVSA-N 2 0 239.407 1.768 20 0 BDADRP C[C@H](C[NH3+])N[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925700861 634372408 /nfs/dbraw/zinc/37/24/08/634372408.db2.gz WZMHMTMOULVQSJ-WXHSDQCUSA-N 2 0 225.380 1.092 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925701995 634376422 /nfs/dbraw/zinc/37/64/22/634376422.db2.gz JBVJLAWBVLSYLO-QNWHQSFQSA-N 3 0 237.391 1.186 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]CC[C@H]2CCCO2)C12CCC2 ZINC000925774194 635232019 /nfs/dbraw/zinc/23/20/19/635232019.db2.gz LCOSYERNDBDKPR-GRYCIOLGSA-N 2 0 224.348 1.415 20 0 BDADRP C[C@H](Cc1cnccn1)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000925777495 635260721 /nfs/dbraw/zinc/26/07/21/635260721.db2.gz FBFQNJUEIONYBD-IJLUTSLNSA-N 2 0 234.347 1.267 20 0 BDADRP COCC1CCC([NH2+][C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000925783247 635290067 /nfs/dbraw/zinc/29/00/67/635290067.db2.gz JIEDUROUHNOAFB-IKWCTNDRSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)CN1C1CC1 ZINC000925874972 635594871 /nfs/dbraw/zinc/59/48/71/635594871.db2.gz ANQJHXAGUFPOFF-QNWHQSFQSA-N 2 0 237.391 1.329 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)CN1C1CC1 ZINC000925874970 635596191 /nfs/dbraw/zinc/59/61/91/635596191.db2.gz ANQJHXAGUFPOFF-NDBYEHHHSA-N 2 0 237.391 1.329 20 0 BDADRP C[NH+]1CCC(C[NH2+]CCCOCC2CC2)CC1 ZINC000054240400 636236209 /nfs/dbraw/zinc/23/62/09/636236209.db2.gz ILYJLKOZBCQIAF-UHFFFAOYSA-N 2 0 240.391 1.735 20 0 BDADRP CC(C)N(C)CC[NH2+]CC1CC[NH+](C)CC1 ZINC000054244009 636244896 /nfs/dbraw/zinc/24/48/96/636244896.db2.gz FVTZIRUYQSXNNG-UHFFFAOYSA-N 2 0 227.396 1.258 20 0 BDADRP [NH3+]CC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000035018176 636392570 /nfs/dbraw/zinc/39/25/70/636392570.db2.gz MIGNUUGJXQGPBW-UHFFFAOYSA-N 2 0 233.315 1.180 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CN1C[C@H]1CC2(CCC2)CO1 ZINC000872145797 636573511 /nfs/dbraw/zinc/57/35/11/636573511.db2.gz ZCIXUCYABRCTGM-IJLUTSLNSA-N 2 0 224.348 1.367 20 0 BDADRP CC[NH+]1CCC(CNC(=[NH2+])N[C@@H]2C[C@H]2C)CC1 ZINC000864457593 636765198 /nfs/dbraw/zinc/76/51/98/636765198.db2.gz SXFRRBLYVJEVFI-ZYHUDNBSSA-N 2 0 238.379 1.241 20 0 BDADRP CNc1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)ncn1 ZINC000322430703 636863804 /nfs/dbraw/zinc/86/38/04/636863804.db2.gz OOTNPBWEEWQRQW-FGWVZKOKSA-N 2 0 247.346 1.555 20 0 BDADRP C[N@@H+]1CC[C@@H]2CN(CCCCCC[NH3+])CC[C@@H]21 ZINC000866703048 636932394 /nfs/dbraw/zinc/93/23/94/636932394.db2.gz FBQJBXSEHSRPOW-KGLIPLIRSA-N 2 0 239.407 1.532 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc[nH]c(=O)c2)C1 ZINC000924704247 637011951 /nfs/dbraw/zinc/01/19/51/637011951.db2.gz CDSPJNFJYRBPCI-NWDGAFQWSA-N 2 0 249.358 1.780 20 0 BDADRP CCON1CCC([NH2+][C@H](C)CC[NH+](C)C)CC1 ZINC000323530097 637084829 /nfs/dbraw/zinc/08/48/29/637084829.db2.gz WPVVSAUIUJHVRB-GFCCVEGCSA-N 2 0 243.395 1.332 20 0 BDADRP CCOC[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903437554 637360682 /nfs/dbraw/zinc/36/06/82/637360682.db2.gz JNTBJZONJGFYMV-MCIONIFRSA-N 2 0 240.391 1.862 20 0 BDADRP CCOC[C@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903437556 637360378 /nfs/dbraw/zinc/36/03/78/637360378.db2.gz JNTBJZONJGFYMV-RDBSUJKOSA-N 2 0 240.391 1.862 20 0 BDADRP C[C@@H](CO)[C@H]1CCCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903463591 637364752 /nfs/dbraw/zinc/36/47/52/637364752.db2.gz GEXPWAMAQGOXTG-RFQIPJPRSA-N 2 0 240.391 1.597 20 0 BDADRP CCCC[N@H+](CC)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903719077 637377051 /nfs/dbraw/zinc/37/70/51/637377051.db2.gz VARZPXGGQFDFOA-KBPBESRZSA-N 2 0 240.391 1.877 20 0 BDADRP CC(C)[N@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903721811 637378425 /nfs/dbraw/zinc/37/84/25/637378425.db2.gz FICFPJYMPAXXSB-UONOGXRCSA-N 2 0 238.375 1.628 20 0 BDADRP CC[N@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000903722940 637378523 /nfs/dbraw/zinc/37/85/23/637378523.db2.gz FKOVVJOQRQGZTQ-CYBMUJFWSA-N 2 0 238.375 1.629 20 0 BDADRP CC(C)[N@H+](C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903721813 637380379 /nfs/dbraw/zinc/38/03/79/637380379.db2.gz FICFPJYMPAXXSB-ZIAGYGMSSA-N 2 0 238.375 1.628 20 0 BDADRP C[NH2+]C[C@@H]1CCCCN1C[C@@H]1CCCC[NH2+]C1 ZINC000903787471 637381556 /nfs/dbraw/zinc/38/15/56/637381556.db2.gz WYPBTDCBXPBYFC-KGLIPLIRSA-N 2 0 239.407 1.450 20 0 BDADRP [NH3+][C@@H](CC(F)F)CN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000904430968 637399545 /nfs/dbraw/zinc/39/95/45/637399545.db2.gz VDOSIKOORRRFQA-CMPLNLGQSA-N 2 0 247.333 1.187 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cncc(O)c2)C1 ZINC000904432824 637400206 /nfs/dbraw/zinc/40/02/06/637400206.db2.gz GZDULWCSPRMVMM-MNOVXSKESA-N 2 0 221.304 1.147 20 0 BDADRP C(CN1CC[C@@]2(C1)CCCC[NH2+]2)[C@@H]1CCOC1 ZINC000904430649 637401219 /nfs/dbraw/zinc/40/12/19/637401219.db2.gz RXZZUMVZSZRWOY-ZIAGYGMSSA-N 2 0 238.375 1.631 20 0 BDADRP CC(C)[C@H](C[NH3+])CN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000904430303 637401242 /nfs/dbraw/zinc/40/12/42/637401242.db2.gz QXLMYWAADGWIIA-ZIAGYGMSSA-N 2 0 239.407 1.435 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CN[C@@H]1C[NH2+]CC1(C)C ZINC000904462317 637407010 /nfs/dbraw/zinc/40/70/10/637407010.db2.gz URHHYBRDANBFOT-NWDGAFQWSA-N 2 0 241.423 1.728 20 0 BDADRP C[C@]1(CN[C@@H]2Cc3ccccc3[C@H]2[NH3+])CC[NH2+]C1 ZINC000904458053 637419247 /nfs/dbraw/zinc/41/92/47/637419247.db2.gz AKYOIWLEIBULDE-KFWWJZLASA-N 2 0 245.370 1.200 20 0 BDADRP CC(C)[C@@H](C[NH3+])CN[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000904459499 637421554 /nfs/dbraw/zinc/42/15/54/637421554.db2.gz SNQLXZXHUYVAGO-NWANDNLSSA-N 2 0 247.386 1.432 20 0 BDADRP CC(C)(C)[NH2+]CCNc1ccccc1C[NH3+] ZINC000904484149 637428227 /nfs/dbraw/zinc/42/82/27/637428227.db2.gz DRECGKGTYXUENV-UHFFFAOYSA-N 2 0 221.348 1.945 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N(C)C1CCC([NH3+])CC1 ZINC000904918729 637524724 /nfs/dbraw/zinc/52/47/24/637524724.db2.gz JFWAATJDIFPPKI-XIVSLSHWSA-N 2 0 241.379 1.232 20 0 BDADRP C[C@H]([NH3+])[C@H](C)c1nc(CC2CC[NH2+]CC2)no1 ZINC000905312678 637742019 /nfs/dbraw/zinc/74/20/19/637742019.db2.gz DCRJDBKBAZWUHF-IUCAKERBSA-N 2 0 238.335 1.062 20 0 BDADRP CC[C@@H](O)C[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000905599808 637858667 /nfs/dbraw/zinc/85/86/67/637858667.db2.gz CGQHCKHCFFUWSX-ROKHWSDSSA-N 2 0 240.391 1.754 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC000906508041 638178802 /nfs/dbraw/zinc/17/88/02/638178802.db2.gz IPZJRQCWBNUSIK-XYPYZODXSA-N 2 0 210.708 1.919 20 0 BDADRP COc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)cc1 ZINC000906508322 638179033 /nfs/dbraw/zinc/17/90/33/638179033.db2.gz MVVVUIGTOUCDAO-XYPYZODXSA-N 2 0 206.289 1.275 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccnc3ccccc23)C1 ZINC000906508683 638181255 /nfs/dbraw/zinc/18/12/55/638181255.db2.gz UTGMIIUZLOIEBI-HAQNSBGRSA-N 2 0 227.311 1.814 20 0 BDADRP CC(=O)Nc1ccc(C[NH2+]C2CC([NH3+])C2)cc1 ZINC000906510778 638183769 /nfs/dbraw/zinc/18/37/69/638183769.db2.gz WUNFHOHHUVVBSR-UHFFFAOYSA-N 2 0 233.315 1.224 20 0 BDADRP Cc1ccc(F)cc1C[NH2+]C1CC([NH3+])C1 ZINC000906510157 638184313 /nfs/dbraw/zinc/18/43/13/638184313.db2.gz OKFZERYDMAPNIR-UHFFFAOYSA-N 2 0 208.280 1.713 20 0 BDADRP [NH3+]C1CC([NH2+]CCCCOc2ccccc2)C1 ZINC000906511517 638185723 /nfs/dbraw/zinc/18/57/23/638185723.db2.gz YPEWSRFCQNHKFH-UHFFFAOYSA-N 2 0 234.343 1.925 20 0 BDADRP CC(C)N(C)c1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)cn1 ZINC000906517950 638186683 /nfs/dbraw/zinc/18/66/83/638186683.db2.gz KHJAWLAXRCUFIK-JOCQHMNTSA-N 2 0 248.374 1.506 20 0 BDADRP Cn1cnc2cc(C[NH2+][C@H]3C[C@H]([NH3+])C3)ccc21 ZINC000906517764 638187508 /nfs/dbraw/zinc/18/75/08/638187508.db2.gz PKBDIJGGGGEFBL-XYPYZODXSA-N 2 0 230.315 1.153 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@H](C[NH3+])C2)O1 ZINC000149749753 639109672 /nfs/dbraw/zinc/10/96/72/639109672.db2.gz UUZLDKVZQWIUJM-IJLUTSLNSA-N 2 0 212.337 1.225 20 0 BDADRP CC(C)C[C@H](C[NH3+])NC(=O)C[C@@H]([NH3+])C(C)(C)C ZINC000911822370 639836119 /nfs/dbraw/zinc/83/61/19/639836119.db2.gz YMWMNJFPQGQHHO-GHMZBOCLSA-N 2 0 243.395 1.240 20 0 BDADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N(C)CC(C)(C)C[NH3+] ZINC000911867869 639852693 /nfs/dbraw/zinc/85/26/93/639852693.db2.gz NVCMDZGZFDHHMS-QWRGUYRKSA-N 2 0 243.395 1.193 20 0 BDADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)CC(C)(C)C[NH3+] ZINC000911869772 639853360 /nfs/dbraw/zinc/85/33/60/639853360.db2.gz CJXDPGNHCFWSBU-NSHDSACASA-N 2 0 243.395 1.193 20 0 BDADRP C[NH2+]C1(C(=O)Nc2ccc([C@H](C)[NH3+])cc2)CCC1 ZINC000911846114 639854765 /nfs/dbraw/zinc/85/47/65/639854765.db2.gz LNGGJBWJLZYVRZ-JTQLQIEISA-N 2 0 247.342 1.787 20 0 BDADRP C[C@H](C1CC1)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000931066265 640053732 /nfs/dbraw/zinc/05/37/32/640053732.db2.gz HRZIVFZWHHXMNQ-RISCZKNCSA-N 2 0 238.375 1.316 20 0 BDADRP CO[C@H]1CC[C@@H]([NH+]2CCC(C)([NH+](C)C)CC2)C1 ZINC000931354614 640168730 /nfs/dbraw/zinc/16/87/30/640168730.db2.gz KZOZXVYBMJSJJT-OLZOCXBDSA-N 2 0 240.391 1.970 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+]1CCCCC1 ZINC000931391151 640175081 /nfs/dbraw/zinc/17/50/81/640175081.db2.gz BEEYIYKWROFRTK-OKILXGFUSA-N 2 0 237.391 1.251 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC000931434203 640201768 /nfs/dbraw/zinc/20/17/68/640201768.db2.gz PSJOLBFRHRZQSP-KGLIPLIRSA-N 2 0 231.343 1.465 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](CCOC3CCC3)C[C@@H]2C1 ZINC000931439774 640209083 /nfs/dbraw/zinc/20/90/83/640209083.db2.gz ZTGMXHKRNFRUME-OLZOCXBDSA-N 2 0 238.375 1.439 20 0 BDADRP CC[C@@H](CO)[NH+]1CCC(CC)([NH+](C)C)CC1 ZINC000931472565 640228190 /nfs/dbraw/zinc/22/81/90/640228190.db2.gz UTGRKDJOKXDEJR-LBPRGKRZSA-N 2 0 228.380 1.564 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cc[nH]c(=O)c1 ZINC000924853532 640289032 /nfs/dbraw/zinc/28/90/32/640289032.db2.gz PABQWKWYKZWQGG-WDEREUQCSA-N 2 0 237.347 1.778 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC000224228582 640604574 /nfs/dbraw/zinc/60/45/74/640604574.db2.gz ASTSOWGIOCLJMS-WCQYABFASA-N 2 0 220.316 1.001 20 0 BDADRP CC[C@H](O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225891911 640712139 /nfs/dbraw/zinc/71/21/39/640712139.db2.gz AEQRISFKGSMSQF-AGIUHOORSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCc2cnn(C)c2)C1 ZINC000226422534 640762870 /nfs/dbraw/zinc/76/28/70/640762870.db2.gz LKLUOWMHUZADJF-DGCLKSJQSA-N 2 0 236.363 1.022 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC000226677878 640788437 /nfs/dbraw/zinc/78/84/37/640788437.db2.gz WJHQODOVYKYTOF-UKRRQHHQSA-N 2 0 248.370 1.651 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)CC[C@@H]1[NH3+] ZINC000227072427 640812484 /nfs/dbraw/zinc/81/24/84/640812484.db2.gz UFJSFHSBECHLDI-KWCYVHTRSA-N 2 0 234.343 1.389 20 0 BDADRP C[N@H+](CCNC(=O)CCCCCC[NH3+])C1CC1 ZINC000059931469 640841686 /nfs/dbraw/zinc/84/16/86/640841686.db2.gz BSNKPPIRPIVJSW-UHFFFAOYSA-N 2 0 241.379 1.106 20 0 BDADRP C[NH+](C)C1CC[NH+](C[Si](C)(C)C)CC1 ZINC000172189486 641044081 /nfs/dbraw/zinc/04/40/81/641044081.db2.gz STFQTYDSCVCBFS-UHFFFAOYSA-N 2 0 214.429 1.890 20 0 BDADRP CC1(C)CN(C[C@]2(C)CCC[NH2+]C2)CCO1 ZINC000062862107 641101097 /nfs/dbraw/zinc/10/10/97/641101097.db2.gz QSOJALMYUJRNQX-CYBMUJFWSA-N 2 0 226.364 1.487 20 0 BDADRP COCC[N@H+](CC(C)C)C[C@]1(C)CCC[NH2+]C1 ZINC000062862695 641101140 /nfs/dbraw/zinc/10/11/40/641101140.db2.gz VYYCEMWLQXVGPX-CQSZACIVSA-N 2 0 242.407 1.981 20 0 BDADRP CC[NH+](CC)[C@H]1CCN(CC[NH2+]C(C)(C)C)C1 ZINC000062967723 641111255 /nfs/dbraw/zinc/11/12/55/641111255.db2.gz DUNMSBALQRXJOV-ZDUSSCGKSA-N 2 0 241.423 1.791 20 0 BDADRP CC[NH+]1CCC([NH2+]CCc2ccnn2C)CC1 ZINC000231035418 641126919 /nfs/dbraw/zinc/12/69/19/641126919.db2.gz QAYCPEHXVQLDAA-UHFFFAOYSA-N 2 0 236.363 1.037 20 0 BDADRP C[N@H+](C[C@H]1CCC[C@@H]1O)CC1CC[NH+](C)CC1 ZINC000063122163 641135292 /nfs/dbraw/zinc/13/52/92/641135292.db2.gz FRDWKSYMCRMFLQ-KGLIPLIRSA-N 2 0 240.391 1.421 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)CCO)C1 ZINC000779340205 641188390 /nfs/dbraw/zinc/18/83/90/641188390.db2.gz HJKHRHKHGBTXJA-VXGBXAGGSA-N 2 0 214.353 1.079 20 0 BDADRP C[N@H+](C[C@@H](O)CC(F)(F)F)CC(C)(C)C[NH3+] ZINC000307936219 641193792 /nfs/dbraw/zinc/19/37/92/641193792.db2.gz IIFOFLCUPBCUEO-QMMMGPOBSA-N 2 0 242.285 1.216 20 0 BDADRP C[C@@H]1CC=CC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000934626843 641222431 /nfs/dbraw/zinc/22/24/31/641222431.db2.gz ZHSCDKRCTXGMFX-MGPQQGTHSA-N 2 0 238.375 1.387 20 0 BDADRP C(C[C@@H]1CCOC1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000232461825 641284579 /nfs/dbraw/zinc/28/45/79/641284579.db2.gz MMILEWMBEWYHIP-VXGBXAGGSA-N 2 0 212.337 1.002 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@H]1C[NH3+])c1ccccn1 ZINC000088169759 641320749 /nfs/dbraw/zinc/32/07/49/641320749.db2.gz XBYSUYRFLGCEPR-GVXVVHGQSA-N 2 0 219.332 1.860 20 0 BDADRP CC1CC[NH+](CCN[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089150327 641477600 /nfs/dbraw/zinc/47/76/00/641477600.db2.gz RATBHAAOKKUAFI-UONOGXRCSA-N 2 0 239.407 1.435 20 0 BDADRP CC[NH+](CC)C[C@@H](C)NC(=O)CCCCC[NH3+] ZINC000041680079 641545260 /nfs/dbraw/zinc/54/52/60/641545260.db2.gz DCJJMWRYZWLTLP-GFCCVEGCSA-N 2 0 243.395 1.352 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)[C@@H]1CCOC1 ZINC000158614764 641641670 /nfs/dbraw/zinc/64/16/70/641641670.db2.gz SJZCSXXCVTXAQX-XQQFMLRXSA-N 2 0 226.364 1.533 20 0 BDADRP Cc1cc(N[C@H]2CC[N@@H+](C3CC3)C2)nc(N)[nH+]1 ZINC000049056308 641708964 /nfs/dbraw/zinc/70/89/64/641708964.db2.gz VOZDWYJZRVUMMH-VIFPVBQESA-N 2 0 233.319 1.016 20 0 BDADRP Cc1cc(N[C@@H]2CC[N@@H+](C3CC3)C2)nc(N)[nH+]1 ZINC000049056306 641709424 /nfs/dbraw/zinc/70/94/24/641709424.db2.gz VOZDWYJZRVUMMH-SECBINFHSA-N 2 0 233.319 1.016 20 0 BDADRP COC[C@H](C)C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925478891 642462578 /nfs/dbraw/zinc/46/25/78/642462578.db2.gz DQCQPSGMZRYVEK-GRYCIOLGSA-N 2 0 228.380 1.765 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@@H]2CCCO2)C[C@H]1C[NH3+] ZINC000253236313 642632408 /nfs/dbraw/zinc/63/24/08/642632408.db2.gz NPILWZJRIFCJCP-UPJWGTAASA-N 2 0 226.364 1.472 20 0 BDADRP CC1(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CCOCC1 ZINC000233019618 642643572 /nfs/dbraw/zinc/64/35/72/642643572.db2.gz RESQARMMQDRHCN-CHWSQXEVSA-N 2 0 240.391 1.910 20 0 BDADRP CC1(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CCOCC1 ZINC000233022360 642643982 /nfs/dbraw/zinc/64/39/82/642643982.db2.gz LTGBCOGHUGUHTB-VXGBXAGGSA-N 2 0 226.364 1.520 20 0 BDADRP CCCCCC[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000306115900 642722211 /nfs/dbraw/zinc/72/22/11/642722211.db2.gz YUCGXFUNUUXCIZ-AWEZNQCLSA-N 2 0 239.407 1.546 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420407716 642724973 /nfs/dbraw/zinc/72/49/73/642724973.db2.gz SQVXTLYUYMVFPX-AWEZNQCLSA-N 2 0 239.407 1.546 20 0 BDADRP CSCC[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000252916609 642902155 /nfs/dbraw/zinc/90/21/55/642902155.db2.gz VVFZEPCBIGXUOM-GARJFASQSA-N 2 0 216.394 1.988 20 0 BDADRP C[C@@H](C[NH2+][C@H]1CCOC1)C[NH+]1CCCC1 ZINC000070969574 643090444 /nfs/dbraw/zinc/09/04/44/643090444.db2.gz AISRYUWLZDBIMI-RYUDHWBXSA-N 2 0 212.337 1.097 20 0 BDADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000229938002 643222713 /nfs/dbraw/zinc/22/27/13/643222713.db2.gz VFNQAVYEZPNQMP-ZIAGYGMSSA-N 3 0 239.407 1.435 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CNCc1cscn1 ZINC000082626910 643521623 /nfs/dbraw/zinc/52/16/23/643521623.db2.gz QXCRENQFYDKYSI-BDAKNGLRSA-N 2 0 211.334 1.088 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](Cc2ccccn2)C1 ZINC000082931363 643528499 /nfs/dbraw/zinc/52/84/99/643528499.db2.gz VVYBWFSZGIEJEC-NSHDSACASA-N 2 0 205.305 1.252 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1NCC[NH+]1CCCC1 ZINC000084215692 643651314 /nfs/dbraw/zinc/65/13/14/643651314.db2.gz MWZIATKQBGNOIL-STQMWFEESA-N 2 0 225.380 1.189 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccncc1 ZINC000084218143 643651383 /nfs/dbraw/zinc/65/13/83/643651383.db2.gz ZHTRZCMQAJFFHQ-VXGBXAGGSA-N 2 0 205.305 1.299 20 0 BDADRP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cc[nH]c(=O)c2)C1 ZINC000922283634 643953363 /nfs/dbraw/zinc/95/33/63/643953363.db2.gz FUFHUTUTUJIRAJ-CYBMUJFWSA-N 2 0 249.358 1.609 20 0 BDADRP CCO[C@H](C[NH2+][C@H]1CO[C@H](CC)C1)CN(C)C ZINC000922756020 644087352 /nfs/dbraw/zinc/08/73/52/644087352.db2.gz KOCDOPBKGBTGOU-JHJVBQTASA-N 2 0 244.379 1.110 20 0 BDADRP COCC[N@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000086573187 644151602 /nfs/dbraw/zinc/15/16/02/644151602.db2.gz QHSKSIFTGOQKRY-YHWZYXNKSA-N 2 0 226.364 1.485 20 0 BDADRP CCCCCC[C@@H](O)C[N@H+](C)CCC[NH3+] ZINC000923291760 644325762 /nfs/dbraw/zinc/32/57/62/644325762.db2.gz RUZMPYOEIPVMOH-GFCCVEGCSA-N 2 0 216.369 1.598 20 0 BDADRP C[NH2+][C@H]1CCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923277674 644309425 /nfs/dbraw/zinc/30/94/25/644309425.db2.gz JVRMJGBBGASIJO-GSPSYOTPSA-N 2 0 237.391 1.201 20 0 BDADRP CCCCCC[C@H](O)C[NH+]1CCC(C[NH3+])CC1 ZINC000923277770 644309836 /nfs/dbraw/zinc/30/98/36/644309836.db2.gz SSKAHWVSNSBYQR-AWEZNQCLSA-N 2 0 242.407 1.988 20 0 BDADRP [NH3+]C[C@H]1CCC[N@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000923281610 644313746 /nfs/dbraw/zinc/31/37/46/644313746.db2.gz QGCMHXWGKKCCHC-HUUCEWRRSA-N 2 0 248.370 1.261 20 0 BDADRP CC(C)CC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000923280905 644314318 /nfs/dbraw/zinc/31/43/18/644314318.db2.gz JTCQATBAZRIOBN-NWDGAFQWSA-N 2 0 214.353 1.064 20 0 BDADRP CCCN(CCC[NH2+]C1CC1)[C@H]1CC[NH2+]C1 ZINC000923285614 644317044 /nfs/dbraw/zinc/31/70/44/644317044.db2.gz IIQSNINDKVTIIZ-ZDUSSCGKSA-N 2 0 225.380 1.202 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCCN(CCC[NH2+]C2CC2)C1 ZINC000923287229 644321069 /nfs/dbraw/zinc/32/10/69/644321069.db2.gz CKRAFBKNUVTQJI-NWDGAFQWSA-N 2 0 225.380 1.188 20 0 BDADRP CC(C)CC[C@H](O)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000923288107 644321606 /nfs/dbraw/zinc/32/16/06/644321606.db2.gz HKMYJBJAMILVAN-RDBSUJKOSA-N 2 0 242.407 1.843 20 0 BDADRP C[N@H+](CCC[NH3+])C[C@@H](O)c1ccc(F)cc1 ZINC000923290344 644322746 /nfs/dbraw/zinc/32/27/46/644322746.db2.gz HWFBUODPMKEGIJ-GFCCVEGCSA-N 2 0 226.295 1.140 20 0 BDADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923300082 644325164 /nfs/dbraw/zinc/32/51/64/644325164.db2.gz NQXBTPRJXNFACZ-NWDGAFQWSA-N 2 0 224.348 1.239 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](C[C@@H](O)c2ccc(C)cc2)C1 ZINC000923290971 644325925 /nfs/dbraw/zinc/32/59/25/644325925.db2.gz PSNHWMXEMYKGLG-UKRRQHHQSA-N 2 0 248.370 1.570 20 0 BDADRP CC[N@H+](Cc1ccccc1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923300281 644330699 /nfs/dbraw/zinc/33/06/99/644330699.db2.gz QACZIEAQELRPMD-IHRRRGAJSA-N 2 0 234.343 1.359 20 0 BDADRP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@H](O)CC(F)(F)F ZINC000923295404 644332425 /nfs/dbraw/zinc/33/24/25/644332425.db2.gz ABJHZULQALOIDT-BDAKNGLRSA-N 2 0 242.285 1.263 20 0 BDADRP CC[C@H]1CCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923307370 644337754 /nfs/dbraw/zinc/33/77/54/644337754.db2.gz RYKURNYVLPUQBM-STQMWFEESA-N 2 0 238.375 1.487 20 0 BDADRP CC[C@@H]1CCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923307366 644338313 /nfs/dbraw/zinc/33/83/13/644338313.db2.gz RYKURNYVLPUQBM-CHWSQXEVSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)[C@H]1C ZINC000923314233 644341665 /nfs/dbraw/zinc/34/16/65/644341665.db2.gz DVVBLJKXLDDVOO-WOPDTQHZSA-N 2 0 224.348 1.095 20 0 BDADRP C[C@@H]1CC[C@H](C)[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923316591 644343886 /nfs/dbraw/zinc/34/38/86/644343886.db2.gz PJCHNKKIEMQXAJ-FRRDWIJNSA-N 2 0 238.375 1.485 20 0 BDADRP C[C@H]1CCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923310215 644347462 /nfs/dbraw/zinc/34/74/62/644347462.db2.gz ZBWRMVLXWYXFIX-QWHCGFSZSA-N 2 0 238.375 1.487 20 0 BDADRP Cn1cc([C@@H]2CC[N@H+](CCC[NH2+]C3CC3)C2)cn1 ZINC000923325272 644352089 /nfs/dbraw/zinc/35/20/89/644352089.db2.gz SQNZFYLUBWPJNM-GFCCVEGCSA-N 2 0 248.374 1.352 20 0 BDADRP [NH3+]C1(C[NH2+]CCc2cccc(F)c2)CCC1 ZINC000923334952 644357384 /nfs/dbraw/zinc/35/73/84/644357384.db2.gz ZVZPKXXBIFINAE-UHFFFAOYSA-N 2 0 222.307 1.839 20 0 BDADRP C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923348329 644361325 /nfs/dbraw/zinc/36/13/25/644361325.db2.gz CXHTUHODCCXXRO-LFAHVKQVSA-N 3 0 249.402 1.058 20 0 BDADRP C[C@H](O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000923358989 644367047 /nfs/dbraw/zinc/36/70/47/644367047.db2.gz NSPOZWFIEIKBLM-XQQFMLRXSA-N 2 0 226.364 1.079 20 0 BDADRP CCc1ncc(CN2CCCC[C@H]2CC[NH3+])o1 ZINC000923353921 644369841 /nfs/dbraw/zinc/36/98/41/644369841.db2.gz NZSIOHBNCBOTLF-NSHDSACASA-N 2 0 237.347 1.940 20 0 BDADRP CC(C)c1ccc([C@H](C)NC(C[NH3+])C[NH3+])cc1 ZINC000923359110 644371568 /nfs/dbraw/zinc/37/15/68/644371568.db2.gz LXMVOAAWAKQNLA-NSHDSACASA-N 2 0 235.375 1.747 20 0 BDADRP CC(C)CC[C@@H](O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000923354794 644372062 /nfs/dbraw/zinc/37/20/62/644372062.db2.gz WQRHWOAAKREDIU-ZIAGYGMSSA-N 2 0 242.407 1.987 20 0 BDADRP C[C@@]1(C[NH3+])CC[N@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC000923355805 644372697 /nfs/dbraw/zinc/37/26/97/644372697.db2.gz OGIAGOAKHYNXBF-GJZGRUSLSA-N 2 0 248.370 1.261 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCN1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923354982 644372761 /nfs/dbraw/zinc/37/27/61/644372761.db2.gz XRBWOBTZYZXKMH-RKFYDKJMSA-N 2 0 237.391 1.329 20 0 BDADRP C[C@@H]1CN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1[NH3+] ZINC000923366184 644378569 /nfs/dbraw/zinc/37/85/69/644378569.db2.gz KOCJNCPNTDXLDJ-JWURUJNWSA-N 2 0 237.391 1.186 20 0 BDADRP CC[N@@H+]1C[C@@H](C)N(CCC[NH2+]C2CC2)C[C@H]1C ZINC000923373850 644387953 /nfs/dbraw/zinc/38/79/53/644387953.db2.gz UQMUCWUOQCTHSW-CHWSQXEVSA-N 2 0 239.407 1.543 20 0 BDADRP CC[C@@H]1CC[C@@H](C)[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923373350 644388319 /nfs/dbraw/zinc/38/83/19/644388319.db2.gz MXHPYMONWYVEEY-UPJWGTAASA-N 2 0 238.375 1.628 20 0 BDADRP CC1(C)CCC[C@@H]1[NH2+]C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923379394 644390719 /nfs/dbraw/zinc/39/07/19/644390719.db2.gz PBQNYLTXBWWJFS-NEPJUHHUSA-N 2 0 238.375 1.533 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CC2(C[NH2+]C2)CO1)c1ccccn1 ZINC000923376455 644391502 /nfs/dbraw/zinc/39/15/02/644391502.db2.gz AXEVGETUNHYUTL-VXGBXAGGSA-N 2 0 247.342 1.111 20 0 BDADRP CC[C@@H]1[C@@H](C)CC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923376299 644391974 /nfs/dbraw/zinc/39/19/74/644391974.db2.gz KSJGFIQKHKKEEC-RWMBFGLXSA-N 2 0 238.375 1.485 20 0 BDADRP CCCCOC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000923381853 644393880 /nfs/dbraw/zinc/39/38/80/644393880.db2.gz LCHKFESPBVDDIJ-JHJVBQTASA-N 2 0 244.379 1.024 20 0 BDADRP C[C@@H]1C[C@@H](C)N(CCC[NH2+]C2CC2)C[C@@H]1C[NH3+] ZINC000923382699 644394036 /nfs/dbraw/zinc/39/40/36/644394036.db2.gz MOTLHPZHHFPYSX-UPJWGTAASA-N 2 0 239.407 1.434 20 0 BDADRP C[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H]([NH3+])C[C@@H]2O)[C@H]1C ZINC000923380393 644394164 /nfs/dbraw/zinc/39/41/64/644394164.db2.gz WCQLBVUPEXOCIA-USTYEKHQSA-N 2 0 226.364 1.251 20 0 BDADRP CC(C)CC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000923381523 644394988 /nfs/dbraw/zinc/39/49/88/644394988.db2.gz JFIGQVLHDLMKNW-JHJVBQTASA-N 2 0 228.380 1.643 20 0 BDADRP CCc1onc(C)c1C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000923412271 644414375 /nfs/dbraw/zinc/41/43/75/644414375.db2.gz QQRNKRCQTKOHDP-KOLCDFICSA-N 2 0 237.347 1.572 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]C[C@@H](O)CC1CCCC1 ZINC000923422885 644419859 /nfs/dbraw/zinc/41/98/59/644419859.db2.gz URXRBSIDSBZJCY-YNEHKIRRSA-N 2 0 240.391 1.643 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccncc1 ZINC000084215723 644420740 /nfs/dbraw/zinc/42/07/40/644420740.db2.gz MYQOIQDYXODKDU-STQMWFEESA-N 2 0 219.332 1.689 20 0 BDADRP CC[NH+]1CCC(N[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000084220339 644420975 /nfs/dbraw/zinc/42/09/75/644420975.db2.gz SRMXHVVMPIANOE-AAEUAGOBSA-N 2 0 225.380 1.188 20 0 BDADRP CSC[C@@H](O)C[N@H+](C)CCCCCC[NH3+] ZINC000923428576 644422638 /nfs/dbraw/zinc/42/26/38/644422638.db2.gz XZPPRSGTLNOEOF-NSHDSACASA-N 2 0 234.409 1.161 20 0 BDADRP C[C@@H]1CN[C@@H](C)[C@@H](C)[N@H+]1CCCCCCC[NH3+] ZINC000923436565 644427680 /nfs/dbraw/zinc/42/76/80/644427680.db2.gz PBJPOBRKRNIFID-HZSPNIEDSA-N 2 0 241.423 1.966 20 0 BDADRP CC[C@@H](C)C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923450026 644439747 /nfs/dbraw/zinc/43/97/47/644439747.db2.gz DRTBUQVAKUVSBO-CHWSQXEVSA-N 2 0 240.391 1.862 20 0 BDADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](C/C=C/Cl)CC2 ZINC000923452035 644441370 /nfs/dbraw/zinc/44/13/70/644441370.db2.gz OCXFWNBMOFUGGZ-CLUFZFBRSA-N 2 0 244.766 1.569 20 0 BDADRP CC[C@H](C)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923452159 644442429 /nfs/dbraw/zinc/44/24/29/644442429.db2.gz RWUUHXQKVQYHGS-RYUDHWBXSA-N 2 0 226.364 1.615 20 0 BDADRP C[N@H+](CC[C@H]1CCCO1)C1CCC([NH3+])CC1 ZINC000085869852 644450951 /nfs/dbraw/zinc/45/09/51/644450951.db2.gz SMGNUPOXYCADEG-WXRRBKDZSA-N 2 0 226.364 1.757 20 0 BDADRP C[C@H]1C[N@H+](C[C@]2(C)CCC[NH2+]C2)C[C@H]1C ZINC000086015450 644456100 /nfs/dbraw/zinc/45/61/00/644456100.db2.gz WHTVMMTVUIIJGB-FRRDWIJNSA-N 2 0 210.365 1.964 20 0 BDADRP CN(C[C@@H]1CCC[N@@H+]1C)C[C@]1(C)CC[NH2+]C1 ZINC000086189444 644458050 /nfs/dbraw/zinc/45/80/50/644458050.db2.gz LCDOCJHWARELDQ-QWHCGFSZSA-N 2 0 225.380 1.012 20 0 BDADRP Cc1cc(C[N@@H+]2CC[C@H](CC[NH3+])C2)nc(C)n1 ZINC000923482275 644460136 /nfs/dbraw/zinc/46/01/36/644460136.db2.gz YCZAZKCJJREQMV-LBPRGKRZSA-N 2 0 234.347 1.264 20 0 BDADRP CC(C)OC(=O)CC[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923496217 644462491 /nfs/dbraw/zinc/46/24/91/644462491.db2.gz GUFFTDNJEAYKLN-RYUDHWBXSA-N 2 0 242.363 1.245 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000923484136 644463142 /nfs/dbraw/zinc/46/31/42/644463142.db2.gz WISURWIBQBXAOF-ZDUSSCGKSA-N 3 0 225.380 1.047 20 0 BDADRP Cc1csc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)n1 ZINC000923496269 644463201 /nfs/dbraw/zinc/46/32/01/644463201.db2.gz GZFRICQRBJSPEQ-GXSJLCMTSA-N 2 0 239.388 1.868 20 0 BDADRP Cc1nccnc1C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923491029 644464971 /nfs/dbraw/zinc/46/49/71/644464971.db2.gz QBAUHZNULNOFKG-PWSUYJOCSA-N 2 0 234.347 1.202 20 0 BDADRP COC(=O)CCCC[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923490676 644465552 /nfs/dbraw/zinc/46/55/52/644465552.db2.gz OQKOZSFCUVXNQP-NEPJUHHUSA-N 2 0 242.363 1.246 20 0 BDADRP C[C@H]1C[N@H+](CCCc2ccncc2)CC[C@@H]1C[NH3+] ZINC000923492727 644467379 /nfs/dbraw/zinc/46/73/79/644467379.db2.gz CIMJNLROHRKUMR-DZGCQCFKSA-N 2 0 247.386 1.931 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@H]1C[NH3+] ZINC000923491874 644467756 /nfs/dbraw/zinc/46/77/56/644467756.db2.gz KBVFYUQEKFPXMP-NDBYEHHHSA-N 3 0 225.380 1.031 20 0 BDADRP Cc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)ccn1 ZINC000923491908 644468771 /nfs/dbraw/zinc/46/87/71/644468771.db2.gz VBKLJTVCZSWWPG-FZMZJTMJSA-N 2 0 233.359 1.807 20 0 BDADRP C[C@@H]1C[N@H+](CCCCCCO)CC[C@H]1C[NH3+] ZINC000923502251 644469727 /nfs/dbraw/zinc/46/97/27/644469727.db2.gz YIWQJGVEYDWMAK-OLZOCXBDSA-N 2 0 228.380 1.456 20 0 BDADRP C[C@H]1C[N@H+](CCCCCCO)CC[C@H]1C[NH3+] ZINC000923502255 644469887 /nfs/dbraw/zinc/46/98/87/644469887.db2.gz YIWQJGVEYDWMAK-STQMWFEESA-N 2 0 228.380 1.456 20 0 BDADRP Cc1cnc([C@H](C)[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)o1 ZINC000923493550 644469903 /nfs/dbraw/zinc/46/99/03/644469903.db2.gz ILILARGFBSHSQG-ADEWGFFLSA-N 2 0 237.347 1.961 20 0 BDADRP Cc1cnc([C@H](C)[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)o1 ZINC000923493552 644470702 /nfs/dbraw/zinc/47/07/02/644470702.db2.gz ILILARGFBSHSQG-USWWRNFRSA-N 2 0 237.347 1.961 20 0 BDADRP C[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)CC[C@H]1C[NH3+] ZINC000923502024 644470748 /nfs/dbraw/zinc/47/07/48/644470748.db2.gz WBJOGBJGEHZXCE-OCCSQVGLSA-N 3 0 239.407 1.293 20 0 BDADRP [NH3+]C1CCC([NH2+]C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000086730499 644471833 /nfs/dbraw/zinc/47/18/33/644471833.db2.gz FJIIOFFSNFSSPJ-WTIISPKJSA-N 2 0 226.364 1.397 20 0 BDADRP C[C@@H](O)C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923508697 644478199 /nfs/dbraw/zinc/47/81/99/644478199.db2.gz MKVSAWVRMIYEND-OLZOCXBDSA-N 2 0 240.391 1.469 20 0 BDADRP [NH3+]CCCCCCC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516856 644479176 /nfs/dbraw/zinc/47/91/76/644479176.db2.gz WBQCTGWWACABKP-UONOGXRCSA-N 3 0 239.407 1.437 20 0 BDADRP OC[C@H]1CCCCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000923529896 644483653 /nfs/dbraw/zinc/48/36/53/644483653.db2.gz CXONMMFRUKWVRR-UONOGXRCSA-N 2 0 240.391 1.613 20 0 BDADRP C([C@@H]1CC[C@H]2C[C@H]2C1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518379 644483924 /nfs/dbraw/zinc/48/39/24/644483924.db2.gz DQWSSGZQJQVREB-GZBLMMOJSA-N 2 0 234.387 1.964 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000923548932 644495207 /nfs/dbraw/zinc/49/52/07/644495207.db2.gz CKUFCHYEAWOISX-CQSZACIVSA-N 2 0 240.391 1.735 20 0 BDADRP C[N@H+](CCCCCC[NH3+])Cc1cccc(=O)[nH]1 ZINC000923555782 644500242 /nfs/dbraw/zinc/50/02/42/644500242.db2.gz WMHSBNIWWHTDRF-UHFFFAOYSA-N 2 0 237.347 1.738 20 0 BDADRP COc1cccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])c1 ZINC000089149835 644535367 /nfs/dbraw/zinc/53/53/67/644535367.db2.gz QUBQNRYGLJNKQD-JSGCOSHPSA-N 2 0 234.343 1.912 20 0 BDADRP CC(C)[NH+]1CCC(N[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089147959 644536089 /nfs/dbraw/zinc/53/60/89/644536089.db2.gz SFNMPHFUIHIZRL-JSGCOSHPSA-N 2 0 239.407 1.576 20 0 BDADRP CC(C)CN1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091547842 644629777 /nfs/dbraw/zinc/62/97/77/644629777.db2.gz AYZUFUYDILSPAJ-KGLIPLIRSA-N 2 0 239.407 1.387 20 0 BDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H](C)[NH+](C)C ZINC000251205775 644797175 /nfs/dbraw/zinc/79/71/75/644797175.db2.gz LPMAQGBRHRTDQK-HZSPNIEDSA-N 2 0 241.423 1.837 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCOC1 ZINC000251324880 644803269 /nfs/dbraw/zinc/80/32/69/644803269.db2.gz OODNOXPNNFINRG-AGIUHOORSA-N 2 0 226.364 1.520 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@H]1C[NH3+])[C@@H]1CCCO1 ZINC000251596313 644811987 /nfs/dbraw/zinc/81/19/87/644811987.db2.gz ORCZWONGARIJRY-YFKTTZPYSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@H]1C[N@H+](CCc2cccs2)CC[C@H]1[NH3+] ZINC000251891183 644830433 /nfs/dbraw/zinc/83/04/33/644830433.db2.gz VPECSFKSULBOID-CMPLNLGQSA-N 2 0 224.373 1.960 20 0 BDADRP [NH3+]Cc1ccc(-c2nc([C@@H]3CCC[NH2+]3)no2)cc1 ZINC000647156799 644837035 /nfs/dbraw/zinc/83/70/35/644837035.db2.gz SDISKMRMVGAZLP-NSHDSACASA-N 2 0 244.298 1.620 20 0 BDADRP C[C@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CCS1 ZINC000252982441 644929887 /nfs/dbraw/zinc/92/98/87/644929887.db2.gz WJFIIPBTTLAHOK-NWDGAFQWSA-N 2 0 228.405 1.813 20 0 BDADRP CC[C@@H]1COC[C@H]1[NH2+][C@H](C)CC[NH+](C)C ZINC000827320757 645078270 /nfs/dbraw/zinc/07/82/70/645078270.db2.gz LSVJHCNOCBABQX-IJLUTSLNSA-N 2 0 214.353 1.341 20 0 BDADRP [NH3+]CCCCCC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000834848674 645148608 /nfs/dbraw/zinc/14/86/08/645148608.db2.gz FLTRPAPYWWHHEX-LBPRGKRZSA-N 2 0 241.379 1.154 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccnnc1 ZINC000926574068 645293020 /nfs/dbraw/zinc/29/30/20/645293020.db2.gz UHIQSABBAHNSPA-OLZOCXBDSA-N 2 0 248.374 1.859 20 0 BDADRP COC1(OC)CC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000926666153 645344397 /nfs/dbraw/zinc/34/43/97/645344397.db2.gz QVWMBJYCPLOXDC-GRYCIOLGSA-N 2 0 242.363 1.068 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ncco1 ZINC000926665363 645345035 /nfs/dbraw/zinc/34/50/35/645345035.db2.gz DFYWDAPPLYFNNN-MXWKQRLJSA-N 2 0 223.320 1.665 20 0 BDADRP FCCOCC[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000926735063 645395565 /nfs/dbraw/zinc/39/55/65/645395565.db2.gz LUJYGCQSZWIUIX-CHWSQXEVSA-N 2 0 244.354 1.579 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000927025368 645525310 /nfs/dbraw/zinc/52/53/10/645525310.db2.gz HLVBAMDFTROEQL-MELADBBJSA-N 2 0 242.407 1.857 20 0 BDADRP CC(C)C[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858117095 645670858 /nfs/dbraw/zinc/67/08/58/645670858.db2.gz ZQIIBKQOZWFFHN-OLZOCXBDSA-N 2 0 242.407 1.856 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH3+])N(C[C@@H]2C[C@H](F)C[NH2+]2)[C@H]1C ZINC000883445973 645851478 /nfs/dbraw/zinc/85/14/78/645851478.db2.gz RNKDYIZHCCGGBD-MOLYVOAJSA-N 2 0 243.370 1.134 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCN(C2CC2)C1 ZINC000925495913 645933566 /nfs/dbraw/zinc/93/35/66/645933566.db2.gz OQWDSKJRDCQMSN-SOULVHCYSA-N 2 0 249.402 1.329 20 0 BDADRP C[C@@H]1COC[C@@H](C)C1[NH2+]CC(C)(C)C[NH+](C)C ZINC000924525274 646045885 /nfs/dbraw/zinc/04/58/85/646045885.db2.gz FBFKYUHTDGYUKA-VXGBXAGGSA-N 2 0 242.407 1.835 20 0 BDADRP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]CC(C)(C)C[NH+](C)C ZINC000924525272 646046751 /nfs/dbraw/zinc/04/67/51/646046751.db2.gz FBFKYUHTDGYUKA-ITGUQSILSA-N 2 0 242.407 1.835 20 0 BDADRP CC[NH+](CC)CCC[NH2+]C1[C@@H](C)COC[C@@H]1C ZINC000924529602 646050242 /nfs/dbraw/zinc/05/02/42/646050242.db2.gz VYQUIHFZKGTUAR-STQMWFEESA-N 2 0 242.407 1.979 20 0 BDADRP C[C@@H]([NH2+]CCC[NH+](C)C)c1cc[nH]c(=O)c1 ZINC000924539436 646058697 /nfs/dbraw/zinc/05/86/97/646058697.db2.gz KDBLRWSTCFPJSP-SNVBAGLBSA-N 2 0 223.320 1.390 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)C1(Cl)CC1 ZINC000924654313 646085593 /nfs/dbraw/zinc/08/55/93/646085593.db2.gz BJYKCEGDQPZYIU-NSHDSACASA-N 2 0 248.798 1.704 20 0 BDADRP CCOCCCC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925479738 646292805 /nfs/dbraw/zinc/29/28/05/646292805.db2.gz JTMDXJPDFBDXJT-LLVKDONJSA-N 2 0 214.353 1.533 20 0 BDADRP CC[N@@H+]1CC[C@H](CN[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925471880 646288985 /nfs/dbraw/zinc/28/89/85/646288985.db2.gz BLZOWIMTOAWLKU-VXGBXAGGSA-N 2 0 225.380 1.058 20 0 BDADRP CC[N@@H+]1CC[C@@H](CN[C@H]2CC[NH2+]C2(C)C)C1 ZINC000925471879 646289647 /nfs/dbraw/zinc/28/96/47/646289647.db2.gz BLZOWIMTOAWLKU-RYUDHWBXSA-N 2 0 225.380 1.058 20 0 BDADRP CCCC[N@H+](C)CCN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925483668 646294442 /nfs/dbraw/zinc/29/44/42/646294442.db2.gz WYYUHDBVYXQSMB-OLZOCXBDSA-N 2 0 239.407 1.578 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925482116 646295176 /nfs/dbraw/zinc/29/51/76/646295176.db2.gz LFMXJOLOYSMHDI-IRCOFANPSA-N 2 0 226.364 1.253 20 0 BDADRP CC[NH+](CC)CCCN[C@@H]1CC[NH2+]C1(C)C ZINC000925490333 646299594 /nfs/dbraw/zinc/29/95/94/646299594.db2.gz SQDHCRREQLINOL-GFCCVEGCSA-N 2 0 227.396 1.448 20 0 BDADRP CC[NH+](CC)CCCN[C@H]1CC[NH2+]C1(C)C ZINC000925490334 646299702 /nfs/dbraw/zinc/29/97/02/646299702.db2.gz SQDHCRREQLINOL-LBPRGKRZSA-N 2 0 227.396 1.448 20 0 BDADRP COCCC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925497021 646301527 /nfs/dbraw/zinc/30/15/27/646301527.db2.gz ZMCAFSAPWIMMHU-WDEREUQCSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@H](CN[C@@H]1CC[NH2+]C1(C)C)[N@H+](C)C1CC1 ZINC000925496303 646301534 /nfs/dbraw/zinc/30/15/34/646301534.db2.gz PZSQRZBCHMYRDY-ZYHUDNBSSA-N 2 0 225.380 1.199 20 0 BDADRP C[C@@H](CN[C@H]1CC[NH2+]C1(C)C)[N@H+](C)C1CC1 ZINC000925496298 646301828 /nfs/dbraw/zinc/30/18/28/646301828.db2.gz PZSQRZBCHMYRDY-JQWIXIFHSA-N 2 0 225.380 1.199 20 0 BDADRP CCCCOCCC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925496105 646302159 /nfs/dbraw/zinc/30/21/59/646302159.db2.gz XKQJTKMLMJDIHH-LBPRGKRZSA-N 2 0 228.380 1.923 20 0 BDADRP C[C@H](O)CC[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925499191 646303667 /nfs/dbraw/zinc/30/36/67/646303667.db2.gz MQUXSDZXXGRPCU-GXTWGEPZSA-N 2 0 236.359 1.827 20 0 BDADRP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](CC)CO)C1 ZINC000929777111 646304791 /nfs/dbraw/zinc/30/47/91/646304791.db2.gz AIENVEDEIDPKKG-STQMWFEESA-N 2 0 228.380 1.421 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1NCC[NH+]1CCCCCC1 ZINC000925524948 646314142 /nfs/dbraw/zinc/31/41/42/646314142.db2.gz CIGDCNKOVDKWLK-CYBMUJFWSA-N 2 0 239.407 1.593 20 0 BDADRP C[C@H](CC[NH+](C)C)N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925522450 646314698 /nfs/dbraw/zinc/31/46/98/646314698.db2.gz RRRAKUVVIINCDK-FRRDWIJNSA-N 2 0 241.423 1.822 20 0 BDADRP CO[C@H](C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)C(C)(C)C ZINC000925525933 646318037 /nfs/dbraw/zinc/31/80/37/646318037.db2.gz GIMULOBUXAJPQA-SDDRHHMPSA-N 2 0 240.391 1.907 20 0 BDADRP CC1(C)[C@@H]([NH2+]CC2(CO)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925530833 646319694 /nfs/dbraw/zinc/31/96/94/646319694.db2.gz VUOBYUHZNGOZIN-WOPDTQHZSA-N 2 0 238.375 1.125 20 0 BDADRP C[C@@H]([NH3+])[C@@H](NCC1(CO)CC1)c1ccccc1 ZINC000925530199 646320008 /nfs/dbraw/zinc/32/00/08/646320008.db2.gz PGOLEOWQMAKSND-DGCLKSJQSA-N 2 0 234.343 1.437 20 0 BDADRP C[C@H](CCCO)[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925549408 646326152 /nfs/dbraw/zinc/32/61/52/646326152.db2.gz KVXDULQZABTKLT-VXGBXAGGSA-N 2 0 226.364 1.412 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000925557798 646332774 /nfs/dbraw/zinc/33/27/74/646332774.db2.gz QOLQXVNGHZRUGS-IACUBPJLSA-N 2 0 237.391 1.201 20 0 BDADRP CO[C@H](C)CC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925564444 646338367 /nfs/dbraw/zinc/33/83/67/646338367.db2.gz JJBLMZRXVYJVGA-UTUOFQBUSA-N 2 0 228.380 1.907 20 0 BDADRP C[C@H](CC(N)=O)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925575167 646341740 /nfs/dbraw/zinc/34/17/40/646341740.db2.gz VEIUFXZYSWZRJI-DGCLKSJQSA-N 2 0 249.358 1.320 20 0 BDADRP CCC(CC)(CC)C[NH2+][C@H]1CNCCOC1 ZINC000925588541 646348848 /nfs/dbraw/zinc/34/88/48/646348848.db2.gz RCTKTYYDDBYRDD-LBPRGKRZSA-N 2 0 228.380 1.781 20 0 BDADRP CC[C@H](CO)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000929847189 646358708 /nfs/dbraw/zinc/35/87/08/646358708.db2.gz LUYRGRCWVXRWIU-JHJVBQTASA-N 2 0 226.364 1.173 20 0 BDADRP C[C@H](CO)[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925614320 646362501 /nfs/dbraw/zinc/36/25/01/646362501.db2.gz WKSFKORJLZYFLY-WXHSDQCUSA-N 2 0 226.364 1.125 20 0 BDADRP C[C@@H]1CCC[N@@H+]1CCN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925623129 646369770 /nfs/dbraw/zinc/36/97/70/646369770.db2.gz OYOQWMIQXUICDC-AGIUHOORSA-N 2 0 237.391 1.330 20 0 BDADRP CC[C@H](C[C@H](C)CO)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925623135 646369955 /nfs/dbraw/zinc/36/99/55/646369955.db2.gz OZAJMSRBSQZHKT-XQQFMLRXSA-N 2 0 240.391 1.658 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CC1(C)CCOCC1 ZINC000925626213 646372405 /nfs/dbraw/zinc/37/24/05/646372405.db2.gz LSPUUOZQFWNURX-LLVKDONJSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H](O)C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925629291 646374712 /nfs/dbraw/zinc/37/47/12/646374712.db2.gz IPBKKDKOVLQIOX-WXHSDQCUSA-N 2 0 226.364 1.125 20 0 BDADRP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CC[NH2+]C2(C)C)CCO1 ZINC000925638257 646382281 /nfs/dbraw/zinc/38/22/81/646382281.db2.gz ZNNXYKSKXISDPI-FRRDWIJNSA-N 2 0 240.391 1.922 20 0 BDADRP C[NH+](C)C1(CN[C@@H]2CC[NH2+]C2(C)C)CCC1 ZINC000925645365 646387371 /nfs/dbraw/zinc/38/73/71/646387371.db2.gz PYLRDXKIJGTWHF-LLVKDONJSA-N 2 0 225.380 1.201 20 0 BDADRP OCCCCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925654124 646392629 /nfs/dbraw/zinc/39/26/29/646392629.db2.gz PYRHELAUNJYTQJ-NSHDSACASA-N 2 0 212.337 1.023 20 0 BDADRP CC(C)[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)C(C)(C)O ZINC000925660123 646396176 /nfs/dbraw/zinc/39/61/76/646396176.db2.gz ZZDBPWFBYVFGBP-NEPJUHHUSA-N 2 0 240.391 1.656 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCc3nc[nH]c3C2)C12CCC2 ZINC000925667199 646397759 /nfs/dbraw/zinc/39/77/59/646397759.db2.gz AORDABWWLNXTIQ-BIMULSAOSA-N 2 0 246.358 1.127 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCOC(F)F ZINC000925666817 646398006 /nfs/dbraw/zinc/39/80/06/646398006.db2.gz RSUMOLSCJZGZPV-IXBNRNDTSA-N 2 0 248.317 1.721 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@@H]1CC[NH2+]C12CCC2 ZINC000925663032 646398296 /nfs/dbraw/zinc/39/82/96/646398296.db2.gz OGYOOAJYRZEXFU-CHWSQXEVSA-N 2 0 239.407 1.591 20 0 BDADRP FC1(F)CC(C[NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925672598 646402763 /nfs/dbraw/zinc/40/27/63/646402763.db2.gz IJSBAWAMBZGNES-SNVBAGLBSA-N 2 0 230.302 1.906 20 0 BDADRP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)C(C)(C)O ZINC000925673253 646403108 /nfs/dbraw/zinc/40/31/08/646403108.db2.gz BZVNEPQDVIDTGC-GHMZBOCLSA-N 2 0 226.364 1.410 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925680556 646409286 /nfs/dbraw/zinc/40/92/86/646409286.db2.gz RSAIZYYYHVWKPD-CHWSQXEVSA-N 2 0 240.391 1.659 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCn2ccnc21 ZINC000925682068 646409632 /nfs/dbraw/zinc/40/96/32/646409632.db2.gz ZUWGAHGYXUZRFI-SZQBSXBZSA-N 2 0 246.358 1.433 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000925691503 646412919 /nfs/dbraw/zinc/41/29/19/646412919.db2.gz MGPLIJLRQQFLCU-SRVKXCTJSA-N 2 0 208.349 1.763 20 0 BDADRP C1CCC2(C1)[NH2+]CC[C@@H]2N[C@H]1CCC[NH2+]C1 ZINC000925688209 646414164 /nfs/dbraw/zinc/41/41/64/646414164.db2.gz BMIXJMKZSBBCBQ-RYUDHWBXSA-N 2 0 223.364 1.003 20 0 BDADRP OC[C@@H]1CCC[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000925688795 646414222 /nfs/dbraw/zinc/41/42/22/646414222.db2.gz FTEVQHAOZOWVQU-AGIUHOORSA-N 2 0 238.375 1.412 20 0 BDADRP CC(C)[NH2+]CCCN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925689528 646416806 /nfs/dbraw/zinc/41/68/06/646416806.db2.gz BLPMFWOYJJWEEH-CHWSQXEVSA-N 2 0 241.423 1.870 20 0 BDADRP C(N[C@@H]1CC[NH2+]C12CCC2)[C@H]1CCCC[NH2+]1 ZINC000925693154 646418598 /nfs/dbraw/zinc/41/85/98/646418598.db2.gz OUAPTQGFOBPWDY-VXGBXAGGSA-N 2 0 223.364 1.003 20 0 BDADRP C[NH2+]CCN[C@H](CCC[NH3+])c1ccccc1 ZINC000925696337 646421711 /nfs/dbraw/zinc/42/17/11/646421711.db2.gz ZNFWDHICODYVMD-CYBMUJFWSA-N 2 0 221.348 1.276 20 0 BDADRP COC1CCC([NH2+][C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925696846 646422059 /nfs/dbraw/zinc/42/20/59/646422059.db2.gz UUIWHRUTQUVSHQ-HTAVTVPLSA-N 2 0 226.364 1.674 20 0 BDADRP C[C@H]1NCCC[C@@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000925699897 646422903 /nfs/dbraw/zinc/42/29/03/646422903.db2.gz LVLNDXBKFYQXQT-SYQHCUMBSA-N 2 0 239.407 1.482 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925701727 646425143 /nfs/dbraw/zinc/42/51/43/646425143.db2.gz DSPSYDBJDWJWOO-GRYCIOLGSA-N 3 0 225.380 1.057 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2CC[NH2+]C23CCCC3)CC[NH2+]1 ZINC000925701087 646425168 /nfs/dbraw/zinc/42/51/68/646425168.db2.gz VNUMRVAWGIADBP-JHJVBQTASA-N 2 0 237.391 1.391 20 0 BDADRP COCC1(C[NH2+][C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925702105 646425287 /nfs/dbraw/zinc/42/52/87/646425287.db2.gz LEDAYEWJNLVIRF-LBPRGKRZSA-N 2 0 238.375 1.677 20 0 BDADRP C[C@H]([NH3+])[C@H](N[C@@H]1CC[NH2+]C[C@@H]1C)c1ccccc1 ZINC000925701272 646425915 /nfs/dbraw/zinc/42/59/15/646425915.db2.gz WRFNRGRGVATJRB-VIRABCJISA-N 2 0 247.386 1.663 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000925703080 646427111 /nfs/dbraw/zinc/42/71/11/646427111.db2.gz BWWAUGHWMZCORG-MROQNXINSA-N 2 0 226.364 1.519 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H](NC[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000925704989 646429243 /nfs/dbraw/zinc/42/92/43/646429243.db2.gz HFWOCVCOGIRMFC-QCNOEVLYSA-N 2 0 243.370 1.182 20 0 BDADRP CC1(C)C[C@@H]([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)C[C@@H]([NH3+])C1 ZINC000925703743 646429489 /nfs/dbraw/zinc/42/94/89/646429489.db2.gz FLNBBROWZLGLOD-LPWJVIDDSA-N 3 0 239.407 1.609 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H](CO)C2CCC2)C1 ZINC000925707143 646430177 /nfs/dbraw/zinc/43/01/77/646430177.db2.gz PEDVBHZSYIHFCU-UPJWGTAASA-N 2 0 240.391 1.643 20 0 BDADRP C1CC2(C1)[NH2+]CC[C@@H]2N[C@@H]1CCCC[NH2+]C1 ZINC000925707337 646432668 /nfs/dbraw/zinc/43/26/68/646432668.db2.gz PIKYIJAHZLRDSH-NEPJUHHUSA-N 2 0 223.364 1.003 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]C[C@@H]2CCCO2)C12CCC2 ZINC000925708756 646433335 /nfs/dbraw/zinc/43/33/35/646433335.db2.gz RXYURRRVNDAPGO-GARJFASQSA-N 2 0 210.321 1.025 20 0 BDADRP CC(C)C[N@H+](C)CCCN[C@@H]1CCC[NH2+][C@H]1C ZINC000925709359 646433997 /nfs/dbraw/zinc/43/39/97/646433997.db2.gz IPUSJOQDIYVWIV-UONOGXRCSA-N 2 0 241.423 1.694 20 0 BDADRP CC1(C)[C@@H]([NH2+][C@H]2CC23CC3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925709255 646434658 /nfs/dbraw/zinc/43/46/58/646434658.db2.gz UNYNSTODLWUMHH-RHYQMDGZSA-N 2 0 220.360 1.905 20 0 BDADRP CC[C@@H](O)C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925709838 646435010 /nfs/dbraw/zinc/43/50/10/646435010.db2.gz OSVKUIGAZXRPPU-MCIONIFRSA-N 2 0 240.391 1.515 20 0 BDADRP CO[C@@H](C)C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925711573 646436633 /nfs/dbraw/zinc/43/66/33/646436633.db2.gz MXQOPHBVVVXYMH-GARJFASQSA-N 2 0 214.353 1.517 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000925717376 646442815 /nfs/dbraw/zinc/44/28/15/646442815.db2.gz GARFFODFJRYBBY-MEBFFEOJSA-N 2 0 238.375 1.532 20 0 BDADRP CC(C)CC[C@H](CO)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925718138 646442932 /nfs/dbraw/zinc/44/29/32/646442932.db2.gz HJHBZACPRGANJE-AGIUHOORSA-N 2 0 240.391 1.643 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCc1ccns1 ZINC000925730747 646454327 /nfs/dbraw/zinc/45/43/27/646454327.db2.gz IHDFRYFICFIQIB-RKDXNWHRSA-N 2 0 213.350 1.401 20 0 BDADRP C[C@H](N)[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccccc1 ZINC000925729234 646454393 /nfs/dbraw/zinc/45/43/93/646454393.db2.gz ZHEBSTXFQFSEGY-IMIFBBOLSA-N 2 0 233.359 1.402 20 0 BDADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCC(C)(C)[NH3+] ZINC000925737778 646459645 /nfs/dbraw/zinc/45/96/45/646459645.db2.gz LCADNWBKURXQAH-JSGCOSHPSA-N 2 0 249.402 1.662 20 0 BDADRP CC[C@H](NCCC(C)(C)[NH3+])[C@@H]1CCC[NH2+]1 ZINC000925737326 646459823 /nfs/dbraw/zinc/45/98/23/646459823.db2.gz MJPOZDFGVBKXLU-QWRGUYRKSA-N 3 0 213.369 1.234 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925738213 646460845 /nfs/dbraw/zinc/46/08/45/646460845.db2.gz WVESZDSLOLZRCD-FVCCEPFGSA-N 2 0 240.391 1.907 20 0 BDADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCC(C)(C)[NH3+] ZINC000925737777 646461034 /nfs/dbraw/zinc/46/10/34/646461034.db2.gz LCADNWBKURXQAH-GXTWGEPZSA-N 2 0 249.402 1.662 20 0 BDADRP C[C@H](Cc1cnccn1)[NH2+]CCC(C)(C)[NH3+] ZINC000925738627 646461127 /nfs/dbraw/zinc/46/11/27/646461127.db2.gz RHPKPMWOHIJCNY-SNVBAGLBSA-N 2 0 222.336 1.125 20 0 BDADRP CCC1([NH3+])CCN([C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000925755329 646463668 /nfs/dbraw/zinc/46/36/68/646463668.db2.gz DLRUIPLCCWXFNJ-VXGBXAGGSA-N 2 0 225.380 1.140 20 0 BDADRP CCC1([NH3+])CC[NH+](C2CCC(O)CC2)CC1 ZINC000925756930 646464003 /nfs/dbraw/zinc/46/40/03/646464003.db2.gz BZUSQAGTBCOHEP-UHFFFAOYSA-N 2 0 226.364 1.493 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[N@@H+]1CCOc2ccc(N)cc2C1 ZINC000925756736 646464227 /nfs/dbraw/zinc/46/42/27/646464227.db2.gz YIUDRPANBAHXMV-GHMZBOCLSA-N 2 0 249.358 1.589 20 0 BDADRP CCC1([NH3+])CCN([C@@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000925758508 646466215 /nfs/dbraw/zinc/46/62/15/646466215.db2.gz CCYQBLQBTXIXOP-RYUDHWBXSA-N 2 0 225.380 1.330 20 0 BDADRP Nc1cc[nH+]c(CN[C@@H]2CC[NH2+]C23CCC3)c1 ZINC000925765498 646466395 /nfs/dbraw/zinc/46/63/95/646466395.db2.gz CKSMUGQIEVNXHP-GFCCVEGCSA-N 2 0 232.331 1.038 20 0 BDADRP C[C@H](NCc1cc(N)cc[nH+]1)[C@H]1CCCC[NH2+]1 ZINC000925765462 646466500 /nfs/dbraw/zinc/46/65/00/646466500.db2.gz BUFHFGIMVWCMNA-GXFFZTMASA-N 2 0 234.347 1.284 20 0 BDADRP CCC1([NH3+])CCN([C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000925759019 646466575 /nfs/dbraw/zinc/46/65/75/646466575.db2.gz GOVPPGWZCSSXCQ-GHMZBOCLSA-N 2 0 211.353 1.070 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)[C@H]1CCCOC1 ZINC000925770414 646470187 /nfs/dbraw/zinc/47/01/87/646470187.db2.gz SYOZPSRLIDWIKG-XDQVBPFNSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](CO)C[C@H]1CCCO1 ZINC000925768786 646470618 /nfs/dbraw/zinc/47/06/18/646470618.db2.gz XDZWSNFNQWFJSD-JHJVBQTASA-N 2 0 244.379 1.024 20 0 BDADRP CC1(C)CO[C@@H](CC[NH2+][C@H]2CC[NH2+]C2(C)C)C1 ZINC000925773697 646472502 /nfs/dbraw/zinc/47/25/02/646472502.db2.gz FOZVVTHOAORUBI-RYUDHWBXSA-N 2 0 240.391 1.922 20 0 BDADRP C1CO[C@@]2(C1)CCC[C@@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000925775058 646475817 /nfs/dbraw/zinc/47/58/17/646475817.db2.gz ZHPGMVUGXIYZKE-MELADBBJSA-N 2 0 238.375 1.820 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925779686 646477061 /nfs/dbraw/zinc/47/70/61/646477061.db2.gz ZJPLSTSAMWQNIS-QWRGUYRKSA-N 3 0 249.349 1.338 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1N[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925781279 646477468 /nfs/dbraw/zinc/47/74/68/646477468.db2.gz WMUHEONMABZYJV-NOOOWODRSA-N 2 0 225.380 1.090 20 0 BDADRP C[C@@H]([NH3+])[C@H](N[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1 ZINC000925781241 646477489 /nfs/dbraw/zinc/47/74/89/646477489.db2.gz WBDVGLGPQSZRNC-OXHZDVMGSA-N 2 0 233.359 1.272 20 0 BDADRP Cc1ncc([C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)s1 ZINC000925785898 646481500 /nfs/dbraw/zinc/48/15/00/646481500.db2.gz QBEHYMUPOWWNIP-YWVKMMECSA-N 2 0 239.388 1.958 20 0 BDADRP CC(C)[C@H]1CC[C@@H]1[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925785249 646481609 /nfs/dbraw/zinc/48/16/09/646481609.db2.gz METUJWSKKJVMGA-XQHKEYJVSA-N 2 0 210.365 1.866 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000925787101 646482829 /nfs/dbraw/zinc/48/28/29/646482829.db2.gz WOSVYIFHCUJLKA-FOUMNBMASA-N 2 0 208.349 1.763 20 0 BDADRP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925793351 646484847 /nfs/dbraw/zinc/48/48/47/646484847.db2.gz YACYJKMXSXYYPU-FOGDFJRCSA-N 2 0 236.363 1.235 20 0 BDADRP CCC[C@H](CC)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925809845 646485250 /nfs/dbraw/zinc/48/52/50/646485250.db2.gz AVMDALDBAAVTAQ-ZDUSSCGKSA-N 2 0 227.396 1.578 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCOC1 ZINC000925788945 646485320 /nfs/dbraw/zinc/48/53/20/646485320.db2.gz DOFCLEDZRPOXOR-NDBYEHHHSA-N 2 0 226.364 1.247 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCCc2c1cnn2C ZINC000925790829 646485917 /nfs/dbraw/zinc/48/59/17/646485917.db2.gz KXOQOIDKTLYDCN-MDZLAQPJSA-N 2 0 248.374 1.243 20 0 BDADRP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925824444 646497274 /nfs/dbraw/zinc/49/72/74/646497274.db2.gz TZGWZNKGVQIQRP-APYVVVAISA-N 2 0 232.371 1.617 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000925830112 646499533 /nfs/dbraw/zinc/49/95/33/646499533.db2.gz FNRSTHFDJRQOGN-AAVRWANBSA-N 2 0 238.375 1.663 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000925830114 646500097 /nfs/dbraw/zinc/50/00/97/646500097.db2.gz FNRSTHFDJRQOGN-REWJHTLYSA-N 2 0 238.375 1.663 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000925830995 646501450 /nfs/dbraw/zinc/50/14/50/646501450.db2.gz HVGRZQHGJGYJQQ-KZVJFYERSA-N 2 0 222.254 1.654 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000925834158 646502996 /nfs/dbraw/zinc/50/29/96/646502996.db2.gz WRJIPMYASIDAIT-DJLDLDEBSA-N 2 0 236.281 1.915 20 0 BDADRP Cc1cnc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c(C)c1 ZINC000925836188 646504581 /nfs/dbraw/zinc/50/45/81/646504581.db2.gz IUPLPTQRTVYACF-NEPJUHHUSA-N 2 0 221.348 1.914 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925840420 646505743 /nfs/dbraw/zinc/50/57/43/646505743.db2.gz LNNJSSHHCZGDIA-XJFOESAGSA-N 2 0 238.375 1.533 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000925856718 646510828 /nfs/dbraw/zinc/51/08/28/646510828.db2.gz KRBXSTDJCVURSW-AVGNSLFASA-N 2 0 228.380 1.515 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000925859785 646512284 /nfs/dbraw/zinc/51/22/84/646512284.db2.gz SBUXKTXAFIJBND-AGIUHOORSA-N 2 0 228.380 1.645 20 0 BDADRP COC[C@H](C[NH2+][C@H](C)[C@H]1CC[NH2+]C1)C(C)C ZINC000925872957 646523818 /nfs/dbraw/zinc/52/38/18/646523818.db2.gz CAXYLHQSYWJRGT-AGIUHOORSA-N 2 0 228.380 1.493 20 0 BDADRP COC[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)C(C)C ZINC000925872995 646524105 /nfs/dbraw/zinc/52/41/05/646524105.db2.gz CNHQAHWAAAMGBG-XQQFMLRXSA-N 2 0 240.391 1.765 20 0 BDADRP CCOCCOCC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000925875380 646526632 /nfs/dbraw/zinc/52/66/32/646526632.db2.gz SGQUOXIEFSHSKY-CHWSQXEVSA-N 2 0 244.379 1.017 20 0 BDADRP C[C@H](Cc1cnccn1)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879913 646528807 /nfs/dbraw/zinc/52/88/07/646528807.db2.gz LYANHRBNIXOYKV-UTUOFQBUSA-N 2 0 234.347 1.125 20 0 BDADRP C[C@@H]([NH2+]C[C@]12C[C@H]1CCC2)[C@H]1CCC[NH2+]1 ZINC000925879825 646529178 /nfs/dbraw/zinc/52/91/78/646529178.db2.gz DIOVGFOSECAXSX-LPWJVIDDSA-N 2 0 208.349 1.907 20 0 BDADRP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925880420 646529653 /nfs/dbraw/zinc/52/96/53/646529653.db2.gz RFANBEQBXARBQU-ZOBORPQBSA-N 2 0 240.391 1.909 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2CCC23CCOCC3)C1 ZINC000925879560 646529903 /nfs/dbraw/zinc/52/99/03/646529903.db2.gz HYOBIZHXZSZJLN-XQQFMLRXSA-N 2 0 238.375 1.663 20 0 BDADRP C[C@H]1COCC[C@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925880632 646531174 /nfs/dbraw/zinc/53/11/74/646531174.db2.gz UWOQUDAQCSWHMY-WHOHXGKFSA-N 2 0 212.337 1.128 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000925883919 646532978 /nfs/dbraw/zinc/53/29/78/646532978.db2.gz YXSOQYNTUHPGEQ-WHOHXGKFSA-N 2 0 212.337 1.271 20 0 BDADRP C[NH+](C)CCOCC[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000926254151 646606331 /nfs/dbraw/zinc/60/63/31/646606331.db2.gz KSYWBHNIYBKXFZ-MJBXVCDLSA-N 2 0 238.375 1.509 20 0 BDADRP C[C@@H]([NH2+]CCN(C)C)c1cccc(C[NH+](C)C)c1 ZINC000926422119 646634085 /nfs/dbraw/zinc/63/40/85/646634085.db2.gz WADGPQZESJFWBP-CYBMUJFWSA-N 2 0 249.402 1.960 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1=CCCOC1 ZINC000926430807 646636729 /nfs/dbraw/zinc/63/67/29/646636729.db2.gz IRWUHHZUUSZSIM-PBWFPOADSA-N 2 0 236.359 1.263 20 0 BDADRP CC(C)[C@H]1COCC[C@@H]1[NH2+]C[C@@H](C)C[NH+](C)C ZINC000926469212 646652567 /nfs/dbraw/zinc/65/25/67/646652567.db2.gz GODNUZQXVXDHJR-MCIONIFRSA-N 2 0 242.407 1.835 20 0 BDADRP CC[C@@H]([NH2+]C[C@H]1C[C@H](OC)C1)[C@@H]1CCCC[NH2+]1 ZINC000925735866 711731669 /nfs/dbraw/zinc/73/16/69/711731669.db2.gz IYUYVZIDPLTYFP-SYQHCUMBSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]1COCC[N@H+](CCCCCC[NH3+])C1 ZINC000399266955 711746360 /nfs/dbraw/zinc/74/63/60/711746360.db2.gz OIKMOBQPPNOAAZ-LBPRGKRZSA-N 2 0 214.353 1.474 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H](COC)C(C)C)C1 ZINC000721914741 711918484 /nfs/dbraw/zinc/91/84/84/711918484.db2.gz SJVJJXTZBNYODV-STQMWFEESA-N 2 0 228.380 1.446 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000721919450 711920144 /nfs/dbraw/zinc/92/01/44/711920144.db2.gz LUKKIOZBLHVARG-XQQFMLRXSA-N 2 0 224.348 1.097 20 0 BDADRP C[C@@H](CC[NH2+]C1CCC(C)(O)CC1)[NH+](C)C ZINC000703004228 712064055 /nfs/dbraw/zinc/06/40/55/712064055.db2.gz XDUHQEFWOBAKCU-HIFPTAJRSA-N 2 0 228.380 1.610 20 0 BDADRP Cc1cnccc1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000705311253 712127584 /nfs/dbraw/zinc/12/75/84/712127584.db2.gz YWWCBFPBGLIMPI-GFCCVEGCSA-N 2 0 219.332 1.561 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC000708338113 712189445 /nfs/dbraw/zinc/18/94/45/712189445.db2.gz REWYFXMKEPDTOI-SDDRHHMPSA-N 2 0 226.364 1.471 20 0 BDADRP C[N@H+](C[C@@H]1CC(C)(C)CO1)CC(C)(C)C[NH3+] ZINC000708338526 712189102 /nfs/dbraw/zinc/18/91/02/712189102.db2.gz DLQLYUGQQBEQRL-NSHDSACASA-N 2 0 228.380 1.718 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)C1 ZINC000709033891 712206233 /nfs/dbraw/zinc/20/62/33/712206233.db2.gz BQLNGAJZZHUPPT-NNYUYHANSA-N 2 0 212.337 1.223 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]C[C@](C)(O)C[NH+](C)C)CS1 ZINC000709715491 712216892 /nfs/dbraw/zinc/21/68/92/712216892.db2.gz OSYZSKWABGRJAB-UTUOFQBUSA-N 2 0 246.420 1.173 20 0 BDADRP CCC1(O)CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC000709465015 712222233 /nfs/dbraw/zinc/22/22/33/712222233.db2.gz NPHHBVWBQQFNRN-UHFFFAOYSA-N 2 0 240.391 1.565 20 0 BDADRP CC1(C)CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])OC1 ZINC000711390770 712297434 /nfs/dbraw/zinc/29/74/34/712297434.db2.gz NXUGBDOJDTWEPU-JHJVBQTASA-N 2 0 240.391 1.909 20 0 BDADRP FC[C@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000711440775 712300511 /nfs/dbraw/zinc/30/05/11/712300511.db2.gz FSIJNIIUDSPBIY-VXGBXAGGSA-N 2 0 214.328 1.668 20 0 BDADRP CCc1ncc(C[N@@H+]2CC[C@H](CC[NH3+])C2)o1 ZINC000923480161 712334397 /nfs/dbraw/zinc/33/43/97/712334397.db2.gz WAFSBGLCEGXOLM-JTQLQIEISA-N 2 0 223.320 1.408 20 0 BDADRP CC(C)C[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000379704367 712392538 /nfs/dbraw/zinc/39/25/38/712392538.db2.gz RYBKXISKIMWPON-LBPRGKRZSA-N 2 0 214.353 1.031 20 0 BDADRP CCN1CC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000712557926 712445710 /nfs/dbraw/zinc/44/57/10/712445710.db2.gz OWGAEQBBDADNTN-JHJVBQTASA-N 2 0 225.380 1.153 20 0 BDADRP CC[N@@H+]1CC[C@H]1CNc1cc[nH+]cc1C ZINC000712565564 712446337 /nfs/dbraw/zinc/44/63/37/712446337.db2.gz QOAZDBKQIUTHPE-NSHDSACASA-N 2 0 205.305 1.318 20 0 BDADRP CC1(C)CC[C@H](C[N@@H+]2CC[C@@H](C[NH3+])C2)OC1 ZINC000713592941 712466193 /nfs/dbraw/zinc/46/61/93/712466193.db2.gz OQDOYIKBVWPZAQ-NWDGAFQWSA-N 2 0 226.364 1.472 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](C[C@H]2CCC(C)(C)CO2)C1 ZINC000713588934 712466216 /nfs/dbraw/zinc/46/62/16/712466216.db2.gz YGWQFHOKMFDBJT-TZMCWYRMSA-N 2 0 240.391 1.862 20 0 BDADRP C[N@H+](CCCF)C[C@H]1CCCC[NH2+]C1 ZINC000716809924 712575768 /nfs/dbraw/zinc/57/57/68/712575768.db2.gz UBDRNEYFUJPQQE-NSHDSACASA-N 2 0 202.317 1.668 20 0 BDADRP CC[C@H](C[C@H](C)O)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000716853563 712578674 /nfs/dbraw/zinc/57/86/74/712578674.db2.gz PPYUFTGPLFPDKB-CRWXNKLISA-N 2 0 240.391 1.752 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H](CC)C[C@@H](C)O)CC1 ZINC000716855814 712578845 /nfs/dbraw/zinc/57/88/45/712578845.db2.gz XJELBXZPZULHER-OLZOCXBDSA-N 2 0 242.407 2.000 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1ncc[nH]1 ZINC000379854588 712616851 /nfs/dbraw/zinc/61/68/51/712616851.db2.gz BKJHXZOCHFZYIJ-ZJUUUORDSA-N 2 0 210.325 1.578 20 0 BDADRP CC1(C)CO[C@H](C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000717319124 712646709 /nfs/dbraw/zinc/64/67/09/712646709.db2.gz QKMVMGUKPBEQBH-RWMBFGLXSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000037485313 712650892 /nfs/dbraw/zinc/65/08/92/712650892.db2.gz SRLYDIZYWIIABP-WDEREUQCSA-N 2 0 208.349 1.859 20 0 BDADRP CC1(C)[C@H]([NH2+]C[C@@H]2CC(C)(C)CO2)C[C@@H]1[NH3+] ZINC000717614028 712662359 /nfs/dbraw/zinc/66/23/59/712662359.db2.gz LCLSFRBJQFLHEE-GARJFASQSA-N 2 0 226.364 1.517 20 0 BDADRP CSCC1CC[NH+](CCC[NH3+])CC1 ZINC000719308615 712804169 /nfs/dbraw/zinc/80/41/69/712804169.db2.gz YRGGXIIWNPDSDI-UHFFFAOYSA-N 2 0 202.367 1.410 20 0 BDADRP Cc1[nH+]ccc(N[C@H]2CC[N@H+](C)[C@@H]2C)c1Cl ZINC000719569214 712810316 /nfs/dbraw/zinc/81/03/16/712810316.db2.gz HQHNCXFHXVLFCG-ZJUUUORDSA-N 2 0 239.750 1.970 20 0 BDADRP CCC[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720873974 712873108 /nfs/dbraw/zinc/87/31/08/712873108.db2.gz YZYCHPCUVOFZLZ-SFYZADRCSA-N 2 0 210.243 1.465 20 0 BDADRP CCO[C@H]1CCC[C@@H]([NH2+]CCC[NH+](C)C)C1 ZINC000721200599 712898183 /nfs/dbraw/zinc/89/81/83/712898183.db2.gz JAEKTHBPHWLDJU-OLZOCXBDSA-N 2 0 228.380 1.875 20 0 BDADRP CC1(C)C[N@H+](CCC[NH2+]C2CC2)CCCO1 ZINC000381299733 710618485 /nfs/dbraw/zinc/61/84/85/710618485.db2.gz HUSOJISOIWOSDT-UHFFFAOYSA-N 2 0 226.364 1.629 20 0 BDADRP C[N@@H+]1CCCC[C@H]1CC[NH2+][C@@H](CO)C1CC1 ZINC000381326871 710622740 /nfs/dbraw/zinc/62/27/40/710622740.db2.gz RJOCASQQZIZWDB-STQMWFEESA-N 2 0 226.364 1.221 20 0 BDADRP C[NH2+]C1CC[NH+](C[C@H](COC)C(C)C)CC1 ZINC000721912984 710692956 /nfs/dbraw/zinc/69/29/56/710692956.db2.gz NPSHUJRCYYPWDV-GFCCVEGCSA-N 2 0 228.380 1.589 20 0 BDADRP COC(=O)CCCC[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723702198 710731473 /nfs/dbraw/zinc/73/14/73/710731473.db2.gz ZCQYUGKJTHSMKU-NSHDSACASA-N 2 0 228.336 1.000 20 0 BDADRP OC1CC2(C[C@@H]2[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000724987277 710752907 /nfs/dbraw/zinc/75/29/07/710752907.db2.gz UKYZPPLGLXIMGY-YCQMLSDISA-N 2 0 236.359 1.116 20 0 BDADRP C[C@@H]([NH2+]Cc1cncn1C)C1CC[NH+](C)CC1 ZINC000384374450 710895002 /nfs/dbraw/zinc/89/50/02/710895002.db2.gz JLWZPIZXJLOYSU-LLVKDONJSA-N 2 0 236.363 1.240 20 0 BDADRP CO[C@H](CN[C@H]1CCC[NH2+][C@@H]1C)C(C)C ZINC000396706578 710907207 /nfs/dbraw/zinc/90/72/07/710907207.db2.gz NISLZVCLNSWTGT-GRYCIOLGSA-N 2 0 214.353 1.388 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCCN[C@H]2C)CC1 ZINC000396577107 710907626 /nfs/dbraw/zinc/90/76/26/710907626.db2.gz CZEJCHWSRXMVQJ-GXTWGEPZSA-N 2 0 239.407 1.448 20 0 BDADRP [NH3+]C1CC([NH2+]Cc2ccc3c(c2)OCCO3)C1 ZINC000133143353 710967679 /nfs/dbraw/zinc/96/76/79/710967679.db2.gz MHNOFVPERXUSCU-UHFFFAOYSA-N 2 0 234.299 1.037 20 0 BDADRP C[NH2+]C[C@H]1CCCN(CCC[NH2+]C2CC2)C1 ZINC000382586347 710973016 /nfs/dbraw/zinc/97/30/16/710973016.db2.gz TVPZTGDJHKIRGW-GFCCVEGCSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC(C)(C)[NH3+])[C@@H](C)O1 ZINC000384776164 710996935 /nfs/dbraw/zinc/99/69/35/710996935.db2.gz PRDHQRSXJNCZAI-BBBLOLIVSA-N 2 0 200.326 1.269 20 0 BDADRP COC(=O)[C@H]1CCCC[N@@H+]1CCCCCC[NH3+] ZINC000385287049 711009956 /nfs/dbraw/zinc/00/99/56/711009956.db2.gz BKJQFSXYPARSMU-GFCCVEGCSA-N 2 0 242.363 1.533 20 0 BDADRP C[C@H]([N@H+](C)C[C@@H]1C[NH2+]C[C@H]1C)C1(C)CC1 ZINC000385455277 711013199 /nfs/dbraw/zinc/01/31/99/711013199.db2.gz CUVDCKYCLGTSAC-WOPDTQHZSA-N 2 0 210.365 1.962 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@H]1CCC[C@H]1OC ZINC000380700233 712902675 /nfs/dbraw/zinc/90/26/75/712902675.db2.gz KTGXJKROVJREHJ-QWHCGFSZSA-N 2 0 228.380 1.875 20 0 BDADRP C[C@@H]([NH2+]CCc1cnccn1)C1CC[NH+](C)CC1 ZINC000389962520 711100802 /nfs/dbraw/zinc/10/08/02/711100802.db2.gz PQWOJFTYYLUVRA-GFCCVEGCSA-N 2 0 248.374 1.339 20 0 BDADRP CC(F)(F)CCC[NH+]1CCC([NH3+])CC1 ZINC000390053242 711104502 /nfs/dbraw/zinc/10/45/02/711104502.db2.gz XWMUVLRVJXTRSC-UHFFFAOYSA-N 2 0 206.280 1.845 20 0 BDADRP CC(F)(F)CCCN1CCC[C@H]([NH3+])C1 ZINC000390119471 711105986 /nfs/dbraw/zinc/10/59/86/711105986.db2.gz DVEZSRJQLADFTK-VIFPVBQESA-N 2 0 206.280 1.845 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH2+]C2CC(C(F)F)C2)C1 ZINC000390433686 711116071 /nfs/dbraw/zinc/11/60/71/711116071.db2.gz QWVUQPAANYQDMN-WHXUTIOJSA-N 2 0 232.318 1.962 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](O)c1ccsc1 ZINC000390503067 711121506 /nfs/dbraw/zinc/12/15/06/711121506.db2.gz VAWJFKOWIGSFAR-ZYHUDNBSSA-N 2 0 242.388 1.889 20 0 BDADRP C[C@@H](CCO)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000390650060 711130380 /nfs/dbraw/zinc/13/03/80/711130380.db2.gz OYSHPPSSNUGRAM-NSHDSACASA-N 2 0 226.364 1.364 20 0 BDADRP C[NH+]1CCC(C[NH2+]CCCC(C)(C)CO)CC1 ZINC000393374051 711157349 /nfs/dbraw/zinc/15/73/49/711157349.db2.gz JAOTXBCGBPTBJE-UHFFFAOYSA-N 2 0 242.407 1.717 20 0 BDADRP C[C@H](CCCO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000395075112 711200888 /nfs/dbraw/zinc/20/08/88/711200888.db2.gz ZYVVARPCNANONR-RLAWYHOSSA-N 2 0 240.391 1.610 20 0 BDADRP CC(C)[NH+](CCN[C@H]1CCC[NH2+][C@H]1C)C(C)C ZINC000396583170 711353015 /nfs/dbraw/zinc/35/30/15/711353015.db2.gz GGMMJNGJQHLWQU-KBPBESRZSA-N 2 0 241.423 1.835 20 0 BDADRP C[C@H]1C[C@@H]([NH3+])CCN1CCOC(F)F ZINC000398185538 711403895 /nfs/dbraw/zinc/40/38/95/711403895.db2.gz OMPLBVDEVJZRDC-YUMQZZPRSA-N 2 0 208.252 1.037 20 0 BDADRP COC[C@H](C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)C(C)C ZINC000721961594 710693967 /nfs/dbraw/zinc/69/39/67/710693967.db2.gz FJALMLZKOAYDCS-UONOGXRCSA-N 2 0 240.391 1.590 20 0 BDADRP FC1(F)CC(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000383195279 710978937 /nfs/dbraw/zinc/97/89/37/710978937.db2.gz XQVHLCQQYVYDJT-KKJSVHSVSA-N 2 0 242.313 1.618 20 0 BDADRP C[C@H]1[NH2+]CCC[C@@H]1NCC[NH+]1CCCCC1 ZINC000396662839 711363230 /nfs/dbraw/zinc/36/32/30/711363230.db2.gz HPNXKUPOVZELRN-OLZOCXBDSA-N 2 0 225.380 1.202 20 0 BDADRP CCCCOCCN[C@@H]1CCC[NH2+][C@H]1C ZINC000396691213 711364749 /nfs/dbraw/zinc/36/47/49/711364749.db2.gz KZTWEFCGSLMVJV-NWDGAFQWSA-N 2 0 214.353 1.533 20 0 BDADRP C[C@H]1[NH2+]CCC[C@@H]1NCC1([NH+](C)C)CCC1 ZINC000396724426 711366083 /nfs/dbraw/zinc/36/60/83/711366083.db2.gz VHCTUYCBXWMNRB-NEPJUHHUSA-N 2 0 225.380 1.201 20 0 BDADRP C[N@H+](CCC[NH3+])C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000721439876 711476411 /nfs/dbraw/zinc/47/64/11/711476411.db2.gz ZZBBAYYRZKJBDN-DTWKUNHWSA-N 2 0 240.269 1.377 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000723627467 711526731 /nfs/dbraw/zinc/52/67/31/711526731.db2.gz DDAMORYRZBKPML-FDYHWXHSSA-N 2 0 226.364 1.376 20 0 BDADRP Cc1nc(C)c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)o1 ZINC000723642461 711529545 /nfs/dbraw/zinc/52/95/45/711529545.db2.gz WCVSWXHTZLIPBY-RWMBFGLXSA-N 2 0 249.358 1.851 20 0 BDADRP CCc1cnc(C[N@@H+]2CC[C@H](CC[NH3+])C2)s1 ZINC000723678550 711533782 /nfs/dbraw/zinc/53/37/82/711533782.db2.gz VPUJURYFRIUZTK-JTQLQIEISA-N 2 0 239.388 1.876 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](Cc2nccn2C2CC2)C1 ZINC000723683044 711533872 /nfs/dbraw/zinc/53/38/72/711533872.db2.gz NWHFEBMUJBIUPV-NSHDSACASA-N 2 0 234.347 1.389 20 0 BDADRP COCc1ccc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)o1 ZINC000723678361 711534151 /nfs/dbraw/zinc/53/41/51/711534151.db2.gz KFHPTQWGFFRGNQ-LLVKDONJSA-N 2 0 238.331 1.597 20 0 BDADRP CCC[C@@H](C(=O)OCC)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723711968 711535273 /nfs/dbraw/zinc/53/52/73/711535273.db2.gz BWEPGFUHDIDAEV-NEPJUHHUSA-N 2 0 242.363 1.389 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000723703726 711535643 /nfs/dbraw/zinc/53/56/43/711535643.db2.gz VJNBKKGSZHEGKQ-NSHDSACASA-N 2 0 244.342 1.734 20 0 BDADRP CCCCOC(=O)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723712654 711535739 /nfs/dbraw/zinc/53/57/39/711535739.db2.gz PDBRGPYLBDIGFJ-NSHDSACASA-N 2 0 228.336 1.000 20 0 BDADRP CCOC(=O)[C@@H](CC)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723892290 711543945 /nfs/dbraw/zinc/54/39/45/711543945.db2.gz QYXKSQPQWIGNIL-IJLUTSLNSA-N 2 0 242.363 1.245 20 0 BDADRP C[C@H](c1cnccn1)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723892595 711544470 /nfs/dbraw/zinc/54/44/70/711544470.db2.gz SGZICNRPRKRQOK-IJLUTSLNSA-N 2 0 234.347 1.454 20 0 BDADRP Cc1cnc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)nc1 ZINC000723903242 711545023 /nfs/dbraw/zinc/54/50/23/711545023.db2.gz VFYBCPMWYWYFCU-VXGBXAGGSA-N 2 0 234.347 1.202 20 0 BDADRP C[C@@H](F)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000393953513 711680802 /nfs/dbraw/zinc/68/08/02/711680802.db2.gz RSGPFTWTSAONLL-WAAKLRNESA-N 2 0 214.328 1.949 20 0 BDADRP COC[C@H](C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C)C(C)C ZINC000721915818 711694170 /nfs/dbraw/zinc/69/41/70/711694170.db2.gz VUGPUCOZTGRKBL-AVGNSLFASA-N 2 0 228.380 1.717 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000722315781 711734540 /nfs/dbraw/zinc/73/45/40/711734540.db2.gz IEXDYXKIZHFOET-XUXIUFHCSA-N 2 0 238.375 1.661 20 0 BDADRP CC[C@@H](NCc1cc(N)cc[nH+]1)[C@H]1CCCC[NH2+]1 ZINC000925767399 711739740 /nfs/dbraw/zinc/73/97/40/711739740.db2.gz ODZUDMPBMFSUGY-ZIAGYGMSSA-N 2 0 248.374 1.674 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CO[C@H](C3CC3)C2)C12CCC2 ZINC000700990872 712010847 /nfs/dbraw/zinc/01/08/47/712010847.db2.gz ISHZLJFCNCFJGX-RVMXOQNASA-N 2 0 236.359 1.413 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]CC2=CCCC2)C12CCC2 ZINC000702365258 712048799 /nfs/dbraw/zinc/04/87/99/712048799.db2.gz VMTOCLJYXUNOBZ-NWDGAFQWSA-N 2 0 206.333 1.956 20 0 BDADRP COC1CC(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)C1 ZINC000703162659 712067407 /nfs/dbraw/zinc/06/74/07/712067407.db2.gz JLYQLRHLENLJKP-YYJSSNLHSA-N 2 0 212.337 1.081 20 0 BDADRP C[C@H](Cc1ccccn1)[NH2+]CCC[NH+](C)C ZINC000703310581 712071731 /nfs/dbraw/zinc/07/17/31/712071731.db2.gz CPHMUDADHOATSK-GFCCVEGCSA-N 2 0 221.348 1.554 20 0 BDADRP CC(C)CCCC[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000703988669 712098072 /nfs/dbraw/zinc/09/80/72/712098072.db2.gz ZDCGYTRQEPZNEL-UHFFFAOYSA-N 2 0 242.407 1.859 20 0 BDADRP COCC1([N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000706415179 712146006 /nfs/dbraw/zinc/14/60/06/712146006.db2.gz CYAOANDRQJCYBW-MNOVXSKESA-N 2 0 212.337 1.225 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccc3c[nH]nc3c2)C[C@H]1C[NH3+] ZINC000708859009 712201591 /nfs/dbraw/zinc/20/15/91/712201591.db2.gz SVTAQJMCUAKMBO-GXFFZTMASA-N 2 0 244.342 1.590 20 0 BDADRP C[C@H](C[N@H+](C)C[C@@H](O)C[NH3+])CC(C)(C)C ZINC000709133224 712209826 /nfs/dbraw/zinc/20/98/26/712209826.db2.gz YMHTUMKOUQUNEM-QWRGUYRKSA-N 2 0 216.369 1.310 20 0 BDADRP CC1(C)C[C@H](C[N@@H+]2CC[C@@H](C[NH3+])C2)C(C)(C)O1 ZINC000709687393 712215701 /nfs/dbraw/zinc/21/57/01/712215701.db2.gz PRRAMGNZXOOCNC-NWDGAFQWSA-N 2 0 240.391 1.861 20 0 BDADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccn1)C2 ZINC000709823637 712228716 /nfs/dbraw/zinc/22/87/16/712228716.db2.gz RJWXCZYQTAWBKH-LOWVWBTDSA-N 2 0 217.316 1.393 20 0 BDADRP C(COC1CCC1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000709845015 712229284 /nfs/dbraw/zinc/22/92/84/712229284.db2.gz YWGISGOMZOBEOR-CHWSQXEVSA-N 2 0 238.375 1.772 20 0 BDADRP C[C@H](CO)C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000709847173 712229296 /nfs/dbraw/zinc/22/92/96/712229296.db2.gz BPRRHCTZCYBNFO-NSHDSACASA-N 2 0 214.353 1.031 20 0 BDADRP C(COC1CCC1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000709845021 712229322 /nfs/dbraw/zinc/22/93/22/712229322.db2.gz YWGISGOMZOBEOR-STQMWFEESA-N 2 0 238.375 1.772 20 0 BDADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC[C@H]1CCCCO1)C2 ZINC000709864930 712230192 /nfs/dbraw/zinc/23/01/92/712230192.db2.gz VOHMIJPUXUENHU-XDQVBPFNSA-N 2 0 238.375 1.757 20 0 BDADRP C[N@H+](CCC[NH3+])C[C@H]1CC(C)(C)OC1(C)C ZINC000710275091 712250467 /nfs/dbraw/zinc/25/04/67/712250467.db2.gz AVDNGSGPQAAEJM-LLVKDONJSA-N 2 0 228.380 1.861 20 0 BDADRP CC[C@H](O)C[N@H+](C)CCCCCC[NH3+] ZINC000710713424 712254730 /nfs/dbraw/zinc/25/47/30/712254730.db2.gz IOSQDUQXGBDUQQ-NSHDSACASA-N 2 0 202.342 1.208 20 0 BDADRP CC1(C)CC[C@H](C[NH2+][C@H]2CCC[C@@H]2C[NH3+])OC1 ZINC000711390771 712297318 /nfs/dbraw/zinc/29/73/18/712297318.db2.gz NXUGBDOJDTWEPU-UPJWGTAASA-N 2 0 240.391 1.909 20 0 BDADRP FC[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000711456070 712304607 /nfs/dbraw/zinc/30/46/07/712304607.db2.gz QXPJOGYJCXAGLC-RYUDHWBXSA-N 2 0 214.328 1.668 20 0 BDADRP FC[C@@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000711456066 712304768 /nfs/dbraw/zinc/30/47/68/712304768.db2.gz QXPJOGYJCXAGLC-NEPJUHHUSA-N 2 0 214.328 1.668 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@@H]2C[C@]23CCOC3)C1 ZINC000923480412 712335288 /nfs/dbraw/zinc/33/52/88/712335288.db2.gz YCODKYOBUKBWMR-AGIUHOORSA-N 2 0 224.348 1.084 20 0 BDADRP CC[C@H](CO)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000379007782 712368059 /nfs/dbraw/zinc/36/80/59/712368059.db2.gz IFYCWOKJZFYWCS-CHWSQXEVSA-N 2 0 228.380 1.564 20 0 BDADRP C[N@H+](C[C@@H]1CCC2(CCC2)O1)C1CC[NH2+]CC1 ZINC000712437556 712430125 /nfs/dbraw/zinc/43/01/25/712430125.db2.gz IQYSSIXVFFQBLS-ZDUSSCGKSA-N 2 0 238.375 1.772 20 0 BDADRP C[N@H+](C[C@H]1CCC2(CCC2)O1)C1CC([NH3+])C1 ZINC000712489896 712431572 /nfs/dbraw/zinc/43/15/72/712431572.db2.gz XEDVQSOBJAIODC-HTAVTVPLSA-N 2 0 224.348 1.510 20 0 BDADRP CC[N@@H+]1CC[C@@H]1CNc1cc(NC)ncn1 ZINC000712581060 712433580 /nfs/dbraw/zinc/43/35/80/712433580.db2.gz SVJKMRRDGXQLER-SECBINFHSA-N 2 0 221.308 1.024 20 0 BDADRP CCc1cc(NC[C@@H]2CC[N@H+]2CC)cc[nH+]1 ZINC000712582918 712434121 /nfs/dbraw/zinc/43/41/21/712434121.db2.gz RUPOZBPNROYFLB-ZDUSSCGKSA-N 2 0 219.332 1.572 20 0 BDADRP COCC(C)(C)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000712661900 712439969 /nfs/dbraw/zinc/43/99/69/712439969.db2.gz BVLJDCONQYUXMG-RYUDHWBXSA-N 2 0 228.380 1.576 20 0 BDADRP CC1(C)CC[C@@H](C[N@@H+]2CC[C@H](C[NH3+])C2)OC1 ZINC000713592940 712466288 /nfs/dbraw/zinc/46/62/88/712466288.db2.gz OQDOYIKBVWPZAQ-NEPJUHHUSA-N 2 0 226.364 1.472 20 0 BDADRP C=C/C=C/CC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000713644866 712468214 /nfs/dbraw/zinc/46/82/14/712468214.db2.gz LXBWSEICJVGHJQ-AATRIKPKSA-N 2 0 238.375 1.507 20 0 BDADRP CC(C)(C[NH3+])C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000714439827 712488628 /nfs/dbraw/zinc/48/86/28/712488628.db2.gz RFVROEDDEZCMKL-LBPRGKRZSA-N 2 0 240.391 1.720 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000714622850 712488669 /nfs/dbraw/zinc/48/86/69/712488669.db2.gz BULVSWBRPDLIMS-KKOKHZNYSA-N 2 0 212.337 1.128 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](CCc2cccc(F)c2)C1 ZINC000036779714 712494863 /nfs/dbraw/zinc/49/48/63/712494863.db2.gz RWBKTJACXZVUNS-GFCCVEGCSA-N 2 0 222.307 1.649 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000714692767 712495984 /nfs/dbraw/zinc/49/59/84/712495984.db2.gz WBQHUEFPGDIOBM-CYDGBPFRSA-N 2 0 226.364 1.484 20 0 BDADRP CCC1([NH3+])CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000714752331 712497104 /nfs/dbraw/zinc/49/71/04/712497104.db2.gz FHHAQRSTDBZVBX-LBPRGKRZSA-N 2 0 226.364 1.616 20 0 BDADRP C[NH+](C)C1(C)CCC([NH2+]CC(C)(C)[NH3+])CC1 ZINC000715489004 712520634 /nfs/dbraw/zinc/52/06/34/712520634.db2.gz ASXBSJFUAWLPBQ-UHFFFAOYSA-N 3 0 227.396 1.576 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](C[C@@H]2CC[C@H](C3CC3)O2)C1 ZINC000715493413 712523304 /nfs/dbraw/zinc/52/33/04/712523304.db2.gz BYFRHEVXVUFTFA-BFHYXJOUSA-N 2 0 238.375 1.615 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H]2CC[C@H](C3CC3)O2)C1 ZINC000715513043 712524299 /nfs/dbraw/zinc/52/42/99/712524299.db2.gz YAWBFWRQYZKYGQ-FPMFFAJLSA-N 2 0 238.375 1.485 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@@H]1CC[C@H](C2CC2)O1 ZINC000715511722 712524558 /nfs/dbraw/zinc/52/45/58/712524558.db2.gz TWYPRSQKBUNVIJ-RUZUBIRVSA-N 2 0 238.375 1.756 20 0 BDADRP CC1(CC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])OCCO1 ZINC000715926648 712542963 /nfs/dbraw/zinc/54/29/63/712542963.db2.gz KNPNMZYROSQMQB-NEPJUHHUSA-N 2 0 242.363 1.247 20 0 BDADRP CC1(CC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])OCCO1 ZINC000715926653 712543215 /nfs/dbraw/zinc/54/32/15/712543215.db2.gz KNPNMZYROSQMQB-VXGBXAGGSA-N 2 0 242.363 1.247 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@H]1[C@H]1C[C@H]1C)C1C[NH2+]C1 ZINC000716666360 712569141 /nfs/dbraw/zinc/56/91/41/712569141.db2.gz XVQSKHYYDLLOJZ-HQPVMZNJSA-N 2 0 208.349 1.476 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1C[C@H]1[C@H]1C[C@H]1C)C1C[NH2+]C1 ZINC000716666363 712569154 /nfs/dbraw/zinc/56/91/54/712569154.db2.gz XVQSKHYYDLLOJZ-YTCQTTRASA-N 2 0 208.349 1.476 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CC[C@H]2C[C@H]21)C1C[NH2+]C1 ZINC000717018740 712604607 /nfs/dbraw/zinc/60/46/07/712604607.db2.gz VRBPCDQWUVVBAV-ZPFDUUQYSA-N 2 0 208.349 1.620 20 0 BDADRP Cn1cnc(C[NH2+]CC2(C)CC[NH+](C)CC2)c1 ZINC000379811164 712606156 /nfs/dbraw/zinc/60/61/56/712606156.db2.gz PIIVNHUZXYXNLJ-UHFFFAOYSA-N 2 0 236.363 1.242 20 0 BDADRP [NH3+]CCC[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000379817534 712611655 /nfs/dbraw/zinc/61/16/55/712611655.db2.gz RZHOVHSSWDRCFV-OPRDCNLKSA-N 2 0 232.418 1.304 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](CCOC(F)F)C[C@@H]1C[NH3+] ZINC000852752481 712612835 /nfs/dbraw/zinc/61/28/35/712612835.db2.gz ZZRCWDWOYSCHFP-UTLUCORTSA-N 2 0 236.306 1.531 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CC(C)(C)CO1)[C@@H]1CCC[NH2+]1 ZINC000717377071 712652730 /nfs/dbraw/zinc/65/27/30/712652730.db2.gz SNMGQLLHBKEKGU-AVGNSLFASA-N 2 0 240.391 1.922 20 0 BDADRP CO[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@H]1C ZINC000717984586 712735276 /nfs/dbraw/zinc/73/52/76/712735276.db2.gz MSPWSZALLZWYSW-NDBYEHHHSA-N 2 0 226.364 1.471 20 0 BDADRP C[C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000719720942 712822631 /nfs/dbraw/zinc/82/26/31/712822631.db2.gz GUZFSRXKASYOBI-RLAWYHOSSA-N 2 0 238.375 1.628 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)c1ccccc1 ZINC000250822541 712834932 /nfs/dbraw/zinc/83/49/32/712834932.db2.gz UEURGYLKTMELGZ-MJBXVCDLSA-N 2 0 234.343 1.437 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@H]2CCCC[NH2+]C2)CCO1 ZINC000720415089 712841186 /nfs/dbraw/zinc/84/11/86/712841186.db2.gz KODATGCFFGSPCO-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP Cc1cc(N2CC[C@H]3[C@H]2CCC[N@H+]3C)nc(N)[nH+]1 ZINC000720828647 712869058 /nfs/dbraw/zinc/86/90/58/712869058.db2.gz IXPXFLDOAUIBLA-WDEREUQCSA-N 2 0 247.346 1.040 20 0 BDADRP Cc1c[nH+]c(N2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1N ZINC001164638111 719230224 /nfs/dbraw/zinc/23/02/24/719230224.db2.gz NFYUKROZCKPCQO-WDEREUQCSA-N 2 0 234.347 1.501 20 0 BDADRP C[NH+](C)CC1CCN(c2cc(N)cc[nH+]2)CC1 ZINC000043569244 721941959 /nfs/dbraw/zinc/94/19/59/721941959.db2.gz CFPVCVNEWDGZEZ-UHFFFAOYSA-N 2 0 234.347 1.442 20 0 BDADRP CC[NH+]1CCC([NH2+]CCCCC(=O)OC)CC1 ZINC000707518609 958557602 /nfs/dbraw/zinc/55/76/02/958557602.db2.gz GFCYGORAMQQZDC-UHFFFAOYSA-N 2 0 242.363 1.404 20 0 BDADRP CO[C@@H]1CC[C@H]1[N@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000724152926 958739683 /nfs/dbraw/zinc/73/96/83/958739683.db2.gz FVQBLZKQPKAHJP-JHJVBQTASA-N 2 0 226.364 1.485 20 0 BDADRP CO[C@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CC[C@H]1C ZINC000693587121 958891901 /nfs/dbraw/zinc/89/19/01/958891901.db2.gz YCCZMEJMEIWJST-WYUUTHIRSA-N 2 0 212.337 1.081 20 0 BDADRP FC1(C2CC2)CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000724801577 959313410 /nfs/dbraw/zinc/31/34/10/959313410.db2.gz ANHNDEDPXJYSCE-NSHDSACASA-N 2 0 226.339 1.810 20 0 BDADRP C[NH+](C)C1CCC([NH2+]C[C@@H]2CCOC2)CC1 ZINC000309923032 960294744 /nfs/dbraw/zinc/29/47/44/960294744.db2.gz TYVMJHVXTIZKMT-HIFPTAJRSA-N 2 0 226.364 1.485 20 0 BDADRP C[NH+]1CCC(CC[N@@H+]2CCC[C@@H](O)C2)CC1 ZINC001207480124 960358039 /nfs/dbraw/zinc/35/80/39/960358039.db2.gz UOJMPUXTEJZPFL-CYBMUJFWSA-N 2 0 226.364 1.175 20 0 BDADRP OCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709463709 960616236 /nfs/dbraw/zinc/61/62/36/960616236.db2.gz VAIKADZOQVSMRL-FOSCPWQOSA-N 2 0 212.337 1.022 20 0 BDADRP C([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCOC1 ZINC000709487946 960621797 /nfs/dbraw/zinc/62/17/97/960621797.db2.gz MMHUUESPUONKLQ-FKJOKYEKSA-N 2 0 224.348 1.286 20 0 BDADRP C[C@@H]1CC(C[N@@H+]2CC[C@@](C)([NH3+])C2)C[C@@H](C)O1 ZINC000724417584 961431817 /nfs/dbraw/zinc/43/18/17/961431817.db2.gz LZWGATGDWGEILR-NQBHXWOUSA-N 2 0 226.364 1.613 20 0 BDADRP [NH3+][C@H]1CCC[N@H+](Cc2ccc(=O)[nH]c2)CC1 ZINC001205094000 965723199 /nfs/dbraw/zinc/72/31/99/965723199.db2.gz IKFFBMAXPYCBIH-NSHDSACASA-N 2 0 221.304 1.100 20 0 BDADRP Cc1cc([C@@H]2CCC[N@@H+]2CCCC[NH3+])no1 ZINC001204847462 967195137 /nfs/dbraw/zinc/19/51/37/967195137.db2.gz BHKFEHRZBNWNST-LBPRGKRZSA-N 2 0 223.320 1.859 20 0 BDADRP C[NH+](C)CC1CC[NH+](Cc2cnoc2)CC1 ZINC001205696992 967787223 /nfs/dbraw/zinc/78/72/23/967787223.db2.gz LRLJNQFWSJHVCE-UHFFFAOYSA-N 2 0 223.320 1.448 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ncco2)CCC[C@@H]1C[NH3+] ZINC001206003762 967955309 /nfs/dbraw/zinc/95/53/09/967955309.db2.gz MHWLPEXEWKKADE-GHMZBOCLSA-N 2 0 223.320 1.481 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H]1[NH3+] ZINC001206037861 968003772 /nfs/dbraw/zinc/00/37/72/968003772.db2.gz YIORQBNFWIZVNZ-FRRDWIJNSA-N 3 0 225.380 1.045 20 0 BDADRP CC(C)[NH+]1CCC(OCCC[NH+](C)C)CC1 ZINC001206296114 968202840 /nfs/dbraw/zinc/20/28/40/968202840.db2.gz KGJLXGAUABRMRM-UHFFFAOYSA-N 2 0 228.380 1.828 20 0 BDADRP C[C@H](O)C[NH2+]C1CC[NH+](CC2CCC2)CC1 ZINC001251973762 968413003 /nfs/dbraw/zinc/41/30/03/968413003.db2.gz LSCUURLDSGHIMW-NSHDSACASA-N 2 0 226.364 1.221 20 0 BDADRP C[NH+](C)CC(C)(C)C[N@H+](C)[C@H]1CCCOC1 ZINC001207283658 968716979 /nfs/dbraw/zinc/71/69/79/968716979.db2.gz BTJCMINIQNCMSS-LBPRGKRZSA-N 2 0 228.380 1.685 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCC[C@@H]3C[C@@H]32)CC1 ZINC001207399853 968741164 /nfs/dbraw/zinc/74/11/64/968741164.db2.gz WVZSIQJHULASNU-OLZOCXBDSA-N 2 0 208.349 1.813 20 0 BDADRP CCC[C@@H](O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC001252783676 968957278 /nfs/dbraw/zinc/95/72/78/968957278.db2.gz IQVQZERLLXFCLC-CYBMUJFWSA-N 2 0 228.380 1.565 20 0 BDADRP CCC[C@@H](O)C[N@H+]1C[C@H]2C[NH+](CCC)C[C@H]2C1 ZINC001252789036 968966242 /nfs/dbraw/zinc/96/62/42/968966242.db2.gz GYBHPTXQZSREBJ-HZSPNIEDSA-N 2 0 240.391 1.421 20 0 BDADRP CCC[C@@H](O)C[N@H+](CCC)CCC[NH+](C)C ZINC001252789974 968971092 /nfs/dbraw/zinc/97/10/92/968971092.db2.gz QFIDZRGAJZDVAL-CYBMUJFWSA-N 2 0 230.396 1.811 20 0 BDADRP C[NH+]1CCC(C)(C[N@@H+]2CC[C@@](C)(O)C2)CC1 ZINC001208108120 968987740 /nfs/dbraw/zinc/98/77/40/968987740.db2.gz QXKKJCRMIORUAD-CYBMUJFWSA-N 2 0 226.364 1.175 20 0 BDADRP COC[C@@H]1CC[N@@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208115288 969005060 /nfs/dbraw/zinc/00/50/60/969005060.db2.gz JIFGJFKHDUIEEG-LBPRGKRZSA-N 2 0 226.364 1.439 20 0 BDADRP CC(C)(C)[NH2+]C[C@@H](O)CN1CCCCC12CC2 ZINC001253394848 969153498 /nfs/dbraw/zinc/15/34/98/969153498.db2.gz SNALUDOZXZYVAS-GFCCVEGCSA-N 2 0 240.391 1.754 20 0 BDADRP CCCCC[C@H](O)C[NH2+]C[C@H]1CC[N@H+](C)C1 ZINC001253547209 969221029 /nfs/dbraw/zinc/22/10/29/969221029.db2.gz FQVUGPZURWGSAY-OLZOCXBDSA-N 2 0 228.380 1.469 20 0 BDADRP CC[NH+]1C[C@@H]2C[NH+](CCCCOC)C[C@H]2C1 ZINC001209219704 969409842 /nfs/dbraw/zinc/40/98/42/969409842.db2.gz LYYINKXPVFSPNK-CHWSQXEVSA-N 2 0 226.364 1.297 20 0 BDADRP CN1CCC[C@@](C)([NH2+][C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254512775 969682221 /nfs/dbraw/zinc/68/22/21/969682221.db2.gz RMAKGTIULXNLCM-ZIAGYGMSSA-N 2 0 239.407 1.545 20 0 BDADRP CC(C)[NH+]1CCN([C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254516473 969688261 /nfs/dbraw/zinc/68/82/61/969688261.db2.gz MTWQBIYIXMTMJL-CQSZACIVSA-N 2 0 239.407 1.497 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH+]2CCC[C@@H](CCO)C2)CC1 ZINC001254524275 969710559 /nfs/dbraw/zinc/71/05/59/969710559.db2.gz AGABBFWKWYZNQF-KBPBESRZSA-N 2 0 240.391 1.565 20 0 BDADRP CN1CCC[C@@H]([NH2+]CCCCC[NH+](C)C)C1 ZINC001255467741 970194796 /nfs/dbraw/zinc/19/47/96/970194796.db2.gz JTWYUOLOBPJPIT-CYBMUJFWSA-N 2 0 227.396 1.402 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]C(C)(C)CCO ZINC001255942201 970575959 /nfs/dbraw/zinc/57/59/59/970575959.db2.gz CPOWWJKZROEOPB-GFCCVEGCSA-N 2 0 230.396 1.857 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]CCn1cccn1 ZINC001255944359 970576304 /nfs/dbraw/zinc/57/63/04/970576304.db2.gz UYZVEOJLTQVYCG-ZDUSSCGKSA-N 2 0 238.379 1.593 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+][C@H]1C[C@H](OC)C1 ZINC001255942594 970577021 /nfs/dbraw/zinc/57/70/21/970577021.db2.gz GBJYLGAYXJJEQW-AVGNSLFASA-N 2 0 228.380 1.874 20 0 BDADRP CC[NH+](CC)CC[C@H](C)n1cc(CC[NH3+])cn1 ZINC001255945459 970579510 /nfs/dbraw/zinc/57/95/10/970579510.db2.gz GGOKLCLLPWEPFV-LBPRGKRZSA-N 2 0 238.379 1.677 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCCC[C@@H]1CO ZINC001255955916 970584452 /nfs/dbraw/zinc/58/44/52/970584452.db2.gz XQBCWCWUIFBMBY-ZIAGYGMSSA-N 2 0 242.407 1.954 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]CC[C@@H](C)CO ZINC001255953361 970590375 /nfs/dbraw/zinc/59/03/75/970590375.db2.gz ZYPHVZROPPSHGP-OLZOCXBDSA-N 2 0 230.396 1.715 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@@H](CO)[C@H]1C ZINC001255956242 970592875 /nfs/dbraw/zinc/59/28/75/970592875.db2.gz IXLORQXPINXQOZ-MJBXVCDLSA-N 2 0 242.407 1.810 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CC[C@@H](OC)C1 ZINC001255957011 970596786 /nfs/dbraw/zinc/59/67/86/970596786.db2.gz OAIDQBJTRNQGQP-CHWSQXEVSA-N 2 0 228.380 1.828 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N1CC2(C1)C[NH+](C)C2 ZINC001255968544 970602983 /nfs/dbraw/zinc/60/29/83/970602983.db2.gz BBZODFCZMJXQSU-CYBMUJFWSA-N 2 0 239.407 1.354 20 0 BDADRP CSCC[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400634341 970613811 /nfs/dbraw/zinc/61/38/11/970613811.db2.gz MKOBGKNOAKEIGD-AXFHLTTASA-N 2 0 216.394 1.858 20 0 BDADRP C[NH+]1CCC(n2ccnc2CCC[NH3+])CC1 ZINC001256202381 970705164 /nfs/dbraw/zinc/70/51/64/970705164.db2.gz YBRVRKCDFIQZNA-UHFFFAOYSA-N 2 0 222.336 1.041 20 0 BDADRP CC[NH+](CC)C1CCC([NH2+]C2CN(C)C2)CC1 ZINC001173101560 975023512 /nfs/dbraw/zinc/02/35/12/975023512.db2.gz KIMPCXKNQDIWPX-UHFFFAOYSA-N 2 0 239.407 1.543 20 0 BDADRP CC[NH+](CC)C1CCC(N2CC([NH3+])C2)CC1 ZINC001173100947 975023624 /nfs/dbraw/zinc/02/36/24/975023624.db2.gz ATCPHMWIBZEIPD-UHFFFAOYSA-N 2 0 225.380 1.282 20 0 BDADRP CC[C@H]1CC[C@H]([NH2+]CCSCC[NH3+])C1 ZINC001173274941 975156385 /nfs/dbraw/zinc/15/63/85/975156385.db2.gz RKKWZYNXPNZCJM-QWRGUYRKSA-N 2 0 216.394 1.847 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+](Cc1ccoc1)CC2 ZINC001204244324 978703010 /nfs/dbraw/zinc/70/30/10/978703010.db2.gz YJOCRDATZGZKKK-UHFFFAOYSA-N 2 0 220.316 1.807 20 0 BDADRP CN(CCC1CC[NH2+]CC1)C[C@@H]1CCC[NH2+]1 ZINC001235715947 979135402 /nfs/dbraw/zinc/13/54/02/979135402.db2.gz ZAPUSQBDRNXNGQ-ZDUSSCGKSA-N 2 0 225.380 1.060 20 0 BDADRP CCOC(=O)[C@H]1C[C@H](C)CC[N@@H+]1CCCC[NH3+] ZINC001235946563 979223021 /nfs/dbraw/zinc/22/30/21/979223021.db2.gz LLZKQABPKKGFGB-VXGBXAGGSA-N 2 0 242.363 1.389 20 0 BDADRP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1CCCO ZINC001235973136 979238195 /nfs/dbraw/zinc/23/81/95/979238195.db2.gz LIKLTWUSTQNNIJ-UONOGXRCSA-N 2 0 240.391 1.708 20 0 BDADRP [NH3+]CCCCCN(C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001236237390 979464206 /nfs/dbraw/zinc/46/42/06/979464206.db2.gz QONDMBPGHQQRPF-CYBMUJFWSA-N 2 0 225.380 1.332 20 0 BDADRP C(C1C[NH2+]C1)N([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236647131 979689714 /nfs/dbraw/zinc/68/97/14/979689714.db2.gz KIAFCKRHERMFLE-CQSZACIVSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@@H]([NH3+])CN1CC[N@@H+](C2CCCCC2)[C@@H](C)C1 ZINC001237249689 979855649 /nfs/dbraw/zinc/85/56/49/979855649.db2.gz QRECZNZFUSZZBB-OLZOCXBDSA-N 2 0 239.407 1.672 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+]CCC(C)(C)C(=O)OC ZINC001345103167 980549856 /nfs/dbraw/zinc/54/98/56/980549856.db2.gz DAEBEXYICCZNDN-SNVBAGLBSA-N 2 0 230.352 1.163 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC001354235352 983213736 /nfs/dbraw/zinc/21/37/36/983213736.db2.gz JNMDURKUUYSYIF-SRVKXCTJSA-N 2 0 226.364 1.268 20 0 BDADRP CCC[C@@H](O)C[NH2+]CC1CC[NH+](C(C)C)CC1 ZINC001252799694 983895352 /nfs/dbraw/zinc/89/53/52/983895352.db2.gz XSFMFZBNBRMGOP-CQSZACIVSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC=CO1)C1CC[NH+](C)CC1 ZINC000379966439 984064265 /nfs/dbraw/zinc/06/42/65/984064265.db2.gz HRVXNLLZCGOQSJ-GXTWGEPZSA-N 2 0 238.375 1.999 20 0 BDADRP CC[C@H](CC(C)C)[NH2+]CCOCC[NH3+] ZINC001172390636 974739273 /nfs/dbraw/zinc/73/92/73/974739273.db2.gz WTSQZAUSOZZIRP-LLVKDONJSA-N 2 0 202.342 1.376 20 0 BDADRP [NH3+]CC1(F)CC[NH+](Cc2ccncc2)CC1 ZINC001222532991 972556575 /nfs/dbraw/zinc/55/65/75/972556575.db2.gz QSKRVDQUAYFYBA-UHFFFAOYSA-N 2 0 223.295 1.344 20 0 BDADRP C[C@@H]1C[C@@H]([NH+]2CCC(CC[NH3+])CC2)CC[NH2+]1 ZINC001246580758 972922408 /nfs/dbraw/zinc/92/24/08/972922408.db2.gz OPCZSBFMLVZYFK-YPMHNXCESA-N 3 0 225.380 1.188 20 0 BDADRP C[C@@H]1C[C@H](N2CCCC[C@H](C[NH3+])C2)CC[NH2+]1 ZINC001246580422 972925122 /nfs/dbraw/zinc/92/51/22/972925122.db2.gz GNZKRAHJJXCWBR-JHJVBQTASA-N 2 0 225.380 1.188 20 0 BDADRP C[C@H]1C[C@@H]([N@@H+]2CCCC[C@@H](C[NH3+])C2)CCO1 ZINC001246584216 972954414 /nfs/dbraw/zinc/95/44/14/972954414.db2.gz TWZWUSTYZDPACN-AVGNSLFASA-N 2 0 226.364 1.615 20 0 BDADRP [NH3+]C[C@@]1(F)CCN(c2cc3[nH]ccc3c[nH+]2)C1 ZINC001157807862 970818617 /nfs/dbraw/zinc/81/86/17/970818617.db2.gz AAZHNABVFYYRAG-LBPRGKRZSA-N 2 0 234.278 1.440 20 0 BDADRP CC[N@H+](C[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCCOC1 ZINC000402708849 970838425 /nfs/dbraw/zinc/83/84/25/970838425.db2.gz RMBZBVLJEMFYJU-FRRDWIJNSA-N 2 0 226.364 1.343 20 0 BDADRP CCOC1CCC([N@H+](C)C[C@H](C)C[NH3+])CC1 ZINC001256432240 970837628 /nfs/dbraw/zinc/83/76/28/970837628.db2.gz VEIGZZFQNKONRD-PNESKVBLSA-N 2 0 228.380 1.861 20 0 BDADRP CC(C)(C)[NH+]1CCC(n2cncc2C[NH3+])CC1 ZINC001256554649 970858279 /nfs/dbraw/zinc/85/82/79/970858279.db2.gz KPIZRCYDMYYZCU-UHFFFAOYSA-N 2 0 236.363 1.777 20 0 BDADRP [NH3+][C@@H]1C[C@H]1NC1CC[NH+](Cc2ccccc2)CC1 ZINC001256600289 970871648 /nfs/dbraw/zinc/87/16/48/970871648.db2.gz PPTGIWQATMNXBM-HUUCEWRRSA-N 2 0 245.370 1.340 20 0 BDADRP Cc1cnc(CC[NH3+])n1C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256614417 970879008 /nfs/dbraw/zinc/87/90/08/970879008.db2.gz RGAKAZVNNBHJHV-FUNVUKJBSA-N 2 0 248.374 1.490 20 0 BDADRP C[C@@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001256624366 970890749 /nfs/dbraw/zinc/89/07/49/970890749.db2.gz XPKOHCMWHSJTIP-FKJOKYEKSA-N 2 0 208.349 1.953 20 0 BDADRP C1=CC[NH+](C2CCC([NH+]3CCOCC3)CC2)C1 ZINC001256688671 970920920 /nfs/dbraw/zinc/92/09/20/970920920.db2.gz IQGAMPRMOJNADH-UHFFFAOYSA-N 2 0 236.359 1.502 20 0 BDADRP F[C@@H]1C[C@H]1[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256683390 970921974 /nfs/dbraw/zinc/92/19/74/970921974.db2.gz ZPYMCTGBNOBVSK-FIYWTHMPSA-N 2 0 242.338 1.330 20 0 BDADRP C[C@@H](Cc1ccncc1)[NH2+]C1(C[NH3+])CC1 ZINC001256731744 970959420 /nfs/dbraw/zinc/95/94/20/970959420.db2.gz OSIUFMGHBQOZQB-JTQLQIEISA-N 2 0 205.305 1.094 20 0 BDADRP c1cc(N2CCC([NH+]3CCC3)CC2)cc[nH+]1 ZINC001256855542 970996709 /nfs/dbraw/zinc/99/67/09/970996709.db2.gz OJPJIGPTXIRMBM-UHFFFAOYSA-N 2 0 217.316 1.756 20 0 BDADRP CC1([NH3+])CN([C@@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256907859 971020041 /nfs/dbraw/zinc/02/00/41/971020041.db2.gz GMOUGKKIWQUBQM-CYBMUJFWSA-N 2 0 237.391 1.426 20 0 BDADRP CNc1cc(Nc2c[nH+]c(C)n2C)cc[nH+]1 ZINC001216334191 971050899 /nfs/dbraw/zinc/05/08/99/971050899.db2.gz WWQQHLPQWNYTEE-UHFFFAOYSA-N 2 0 217.276 1.909 20 0 BDADRP C[C@@H]1CC(NC(=[NH2+])SCC[NH3+])C[C@@H](C)O1 ZINC001257074672 971089138 /nfs/dbraw/zinc/08/91/38/971089138.db2.gz SDWPCWVASQGCIA-HTQZYQBOSA-N 2 0 231.365 1.159 20 0 BDADRP CCN(c1cc(N)cc[nH+]1)[C@H]1CCC[NH2+]C1 ZINC001158201135 971105246 /nfs/dbraw/zinc/10/52/46/971105246.db2.gz UQQPIABQPRTVRI-NSHDSACASA-N 2 0 220.320 1.242 20 0 BDADRP CC(C)[NH+]1CCC(n2ccc([C@H](C)[NH3+])n2)CC1 ZINC001257207707 971128940 /nfs/dbraw/zinc/12/89/40/971128940.db2.gz DGFAQJHSCYVYSF-NSHDSACASA-N 2 0 236.363 1.948 20 0 BDADRP COC(C)(C)C[N@H+](C)CCC[NH2+]C1CC1 ZINC000404332667 971157189 /nfs/dbraw/zinc/15/71/89/971157189.db2.gz DMGRICDZILGUHI-UHFFFAOYSA-N 2 0 214.353 1.485 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCCCCCO ZINC000404908992 971184968 /nfs/dbraw/zinc/18/49/68/971184968.db2.gz SZIPEEZEDRKVAY-MNOVXSKESA-N 2 0 214.353 1.255 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)C1CC1 ZINC000405218444 971209459 /nfs/dbraw/zinc/20/94/59/971209459.db2.gz AEUIBLAVLUQPBG-IJLUTSLNSA-N 2 0 224.348 1.271 20 0 BDADRP CCC[C@@H](C)[NH2+]CCC[N@H+](C)CCO ZINC001257315217 971215042 /nfs/dbraw/zinc/21/50/42/971215042.db2.gz WKLKFJUWOFVFIA-LLVKDONJSA-N 2 0 202.342 1.079 20 0 BDADRP CC(C)(CO)CC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405266293 971222612 /nfs/dbraw/zinc/22/26/12/971222612.db2.gz PPZMWKXMKVXLLE-QWRGUYRKSA-N 2 0 226.364 1.255 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]C2CCSCC2)C12CCC2 ZINC000405297232 971233253 /nfs/dbraw/zinc/23/32/53/971233253.db2.gz HOJUFHXEJWNMSF-QWRGUYRKSA-N 2 0 226.389 1.742 20 0 BDADRP CC(C)COCCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405338747 971237989 /nfs/dbraw/zinc/23/79/89/971237989.db2.gz GTDDUMVYTVHUPT-STQMWFEESA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CS1 ZINC000405340840 971238113 /nfs/dbraw/zinc/23/81/13/971238113.db2.gz CQESVXYMOQMUQZ-VPOLOUISSA-N 2 0 226.389 1.740 20 0 BDADRP C[C@H](CCO)CC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405322911 971238436 /nfs/dbraw/zinc/23/84/36/971238436.db2.gz VSUUUKKEPLUNKW-SDDRHHMPSA-N 2 0 226.364 1.255 20 0 BDADRP COC[C@H](C)C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405352887 971241344 /nfs/dbraw/zinc/24/13/44/971241344.db2.gz PLCUPMUZJZACIJ-MXWKQRLJSA-N 2 0 212.337 1.128 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](CO)C2)C12CCC2 ZINC000405352521 971244431 /nfs/dbraw/zinc/24/44/31/971244431.db2.gz PCEANYXAYULYKA-LOWDOPEQSA-N 2 0 238.375 1.397 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CC[C@H]2CCCO2)C12CCC2 ZINC000405346376 971244444 /nfs/dbraw/zinc/24/44/44/971244444.db2.gz LCOSYERNDBDKPR-UTUOFQBUSA-N 2 0 224.348 1.415 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405398671 971246255 /nfs/dbraw/zinc/24/62/55/971246255.db2.gz JJHPHAFFDDIYKD-IJLUTSLNSA-N 2 0 226.364 1.255 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CCCCCCO)C12CCC2 ZINC000405397607 971246586 /nfs/dbraw/zinc/24/65/86/971246586.db2.gz IZHACIZJYPLHIT-NEPJUHHUSA-N 2 0 226.364 1.399 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H](O)C2)C12CCC2 ZINC000405372948 971249330 /nfs/dbraw/zinc/24/93/30/971249330.db2.gz ZOSPQGVVCKDWID-QCNOEVLYSA-N 2 0 224.348 1.007 20 0 BDADRP C[C@](O)(C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)C1CC1 ZINC000405376581 971250272 /nfs/dbraw/zinc/25/02/72/971250272.db2.gz BNXRSQTVNUZZGN-UTUOFQBUSA-N 2 0 224.348 1.007 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCC[C@H]2CCOC2)C12CCC2 ZINC000405440880 971251665 /nfs/dbraw/zinc/25/16/65/971251665.db2.gz DNYUYGGJSHZHFL-YNEHKIRRSA-N 2 0 238.375 1.663 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]CC2=CCOCC2)C12CCC2 ZINC000405411356 971254514 /nfs/dbraw/zinc/25/45/14/971254514.db2.gz ULAGDIOAHFKMQN-NWDGAFQWSA-N 2 0 222.332 1.193 20 0 BDADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](C[NH2+]C2CCCC2)O1 ZINC001257345303 971255873 /nfs/dbraw/zinc/25/58/73/971255873.db2.gz OAIASJCNEMCIMQ-UPJWGTAASA-N 2 0 242.363 1.243 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCCOC2)C12CCC2 ZINC000405518019 971263321 /nfs/dbraw/zinc/26/33/21/971263321.db2.gz UWHFAFOSQSTVLJ-GMTAPVOTSA-N 2 0 210.321 1.025 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]CCOc2ccccc2)C12CCC2 ZINC000405535455 971270446 /nfs/dbraw/zinc/27/04/46/971270446.db2.gz ZNKMEQDMZYMAOX-UONOGXRCSA-N 2 0 246.354 1.925 20 0 BDADRP C[C@H]1[C@H](C)OC[C@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000405654978 971287171 /nfs/dbraw/zinc/28/71/71/971287171.db2.gz NYTZQGZYAYRWLC-GMXVVIOVSA-N 2 0 224.348 1.261 20 0 BDADRP C[C@H]1[C@H](C)OC[C@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000405664111 971288135 /nfs/dbraw/zinc/28/81/35/971288135.db2.gz PTRYTEXBEROOGI-RWMBFGLXSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@@H]1[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CO[C@H]1C ZINC000405661031 971290775 /nfs/dbraw/zinc/29/07/75/971290775.db2.gz NZFAXFLNJHKVMC-MNXVOIDGSA-N 2 0 238.375 1.484 20 0 BDADRP C[N@H+](CCN1CC[NH+](C)CC1)C1CCCCC1 ZINC001257459266 971379235 /nfs/dbraw/zinc/37/92/35/971379235.db2.gz PJQJDZJRHICZAI-UHFFFAOYSA-N 2 0 239.407 1.498 20 0 BDADRP Cc1cnc(N2CCC[C@](C)(C[NH3+])C2)c(C[NH3+])c1 ZINC001158678524 971392638 /nfs/dbraw/zinc/39/26/38/971392638.db2.gz KPAWCEARYMLHBJ-CQSZACIVSA-N 2 0 248.374 1.414 20 0 BDADRP F[C@@H]1C[NH2+]CCC[C@H]1OC[C@@H]1CCC[NH2+]C1 ZINC001217765943 971393110 /nfs/dbraw/zinc/39/31/10/971393110.db2.gz PNXPQONYYGLEAP-IJLUTSLNSA-N 2 0 230.327 1.093 20 0 BDADRP c1cc2c(cc1CO[C@@H]1CCC[NH2+]C1)CC[NH2+]C2 ZINC001217767741 971392745 /nfs/dbraw/zinc/39/27/45/971392745.db2.gz GUHUBSXNLKZNDG-OAHLLOKOSA-N 2 0 246.354 1.601 20 0 BDADRP C[NH2+][C@H]1C[C@H](OCCC[C@@H]2CCC[NH2+]C2)C1 ZINC001217763142 971388732 /nfs/dbraw/zinc/38/87/32/971388732.db2.gz IXLMZOJHJLPXCG-AVGNSLFASA-N 2 0 226.364 1.533 20 0 BDADRP C(O[C@H]1CCC12CC[NH2+]CC2)[C@@H]1CCC[NH2+]C1 ZINC001217796398 971410817 /nfs/dbraw/zinc/41/08/17/971410817.db2.gz JVDSSPKGOCONSO-OLZOCXBDSA-N 2 0 238.375 1.535 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1OC[C@@H]1CCC[NH2+]C1 ZINC001217790713 971411014 /nfs/dbraw/zinc/41/10/14/971411014.db2.gz XNYDITNKACXVOH-IJLUTSLNSA-N 2 0 212.337 1.001 20 0 BDADRP C(O[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21)[C@H]1CCC[NH2+]C1 ZINC001217813538 971416440 /nfs/dbraw/zinc/41/64/40/971416440.db2.gz CVCSHUVMZUVACZ-RFQIPJPRSA-N 2 0 238.375 1.391 20 0 BDADRP C[N@@H+]1CCC[C@H](OC[C@H]2CCC[NH2+]C2)C1 ZINC001217829037 971422678 /nfs/dbraw/zinc/42/26/78/971422678.db2.gz DUVFLWFYKBGLAY-RYUDHWBXSA-N 2 0 212.337 1.097 20 0 BDADRP [NH3+]Cc1ccc(CO[C@@H]2CCC[NH2+]C2)cc1 ZINC001217859907 971451358 /nfs/dbraw/zinc/45/13/58/971451358.db2.gz IMDORAHUOXWZSW-CYBMUJFWSA-N 2 0 220.316 1.414 20 0 BDADRP C(OC1CC[NH+](C2CC2)CC1)[C@H]1CCC[NH2+]C1 ZINC001217858552 971453202 /nfs/dbraw/zinc/45/32/02/971453202.db2.gz SRZFRJNQYYHWAK-LBPRGKRZSA-N 2 0 238.375 1.629 20 0 BDADRP C[NH+](C)C1CCC(OC[C@H]2CCC[NH2+]C2)CC1 ZINC001217867138 971463053 /nfs/dbraw/zinc/46/30/53/971463053.db2.gz GNGLKRQOMBPRNG-HSBZDZAISA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1CC[C@H](OCc2cccc(C[NH3+])c2)C[NH2+]1 ZINC001217909452 971509932 /nfs/dbraw/zinc/50/99/32/971509932.db2.gz MKTRFLFHRPEBGJ-RISCZKNCSA-N 2 0 234.343 1.802 20 0 BDADRP C[C@@H]1CC[C@@H](OCc2cccc(C[NH3+])c2)C[NH2+]1 ZINC001217909442 971510490 /nfs/dbraw/zinc/51/04/90/971510490.db2.gz MKTRFLFHRPEBGJ-BXUZGUMPSA-N 2 0 234.343 1.802 20 0 BDADRP C(CO[C@@H]1[C@@H]2CC[C@H]1[NH2+]C2)CC1CC[NH2+]CC1 ZINC001217925763 971528276 /nfs/dbraw/zinc/52/82/76/971528276.db2.gz VSUUABFNDMYXBT-MGPQQGTHSA-N 2 0 238.375 1.533 20 0 BDADRP [NH3+]CCCCCCO[C@@H]1C[NH2+]CCC1(F)F ZINC001217927072 971533767 /nfs/dbraw/zinc/53/37/67/971533767.db2.gz MZHCRFIYMAXEKJ-SNVBAGLBSA-N 2 0 236.306 1.519 20 0 BDADRP [NH3+]C1CC([NH2+]C2CCC3(COC3)CC2)C1 ZINC001257901021 971533983 /nfs/dbraw/zinc/53/39/83/971533983.db2.gz UJVJREJVXIRBOM-UHFFFAOYSA-N 2 0 210.321 1.025 20 0 BDADRP CC1(C)[NH2+][C@H](CO[C@H]2CC[NH2+]C(C)(C)C2)CO1 ZINC001217936259 971538886 /nfs/dbraw/zinc/53/88/86/971538886.db2.gz DMNQBDHXNXUVBZ-MNOVXSKESA-N 2 0 242.363 1.258 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1OCCC[NH3+] ZINC001217938830 971539784 /nfs/dbraw/zinc/53/97/84/971539784.db2.gz JOOTXLAIABLWLU-ZFWWWQNUSA-N 2 0 248.370 1.872 20 0 BDADRP C[C@H]([NH3+])c1ccc(O[C@@H]2CCC[NH2+]C2)cc1 ZINC001217965079 971548358 /nfs/dbraw/zinc/54/83/58/971548358.db2.gz KLQYENBSYZDJAT-GXFFZTMASA-N 2 0 220.316 1.837 20 0 BDADRP CC(C)C[NH+]1CCC([NH2+][C@H]2CC[C@@H](O)C2)CC1 ZINC001258001457 971553878 /nfs/dbraw/zinc/55/38/78/971553878.db2.gz RMDZGLPTTHWRRM-UONOGXRCSA-N 2 0 240.391 1.610 20 0 BDADRP [NH3+]C[C@H](O)C[NH2+]C1CCC(c2ccccc2)CC1 ZINC001257987403 971549239 /nfs/dbraw/zinc/54/92/39/971549239.db2.gz QWAWIZWLZKKDPV-NRXISQOPSA-N 2 0 248.370 1.622 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H]1Oc1cccc(C[NH3+])c1 ZINC001217968802 971551431 /nfs/dbraw/zinc/55/14/31/971551431.db2.gz SSRQZRQUQOZLBP-SKDRFNHKSA-N 2 0 206.289 1.132 20 0 BDADRP CC(C)C[NH+]1CCC(N(C)CC[NH+](C)C)CC1 ZINC001258011756 971552145 /nfs/dbraw/zinc/55/21/45/971552145.db2.gz PWOUMMSNYTZZRU-UHFFFAOYSA-N 2 0 241.423 1.600 20 0 BDADRP [NH3+]CCc1ccc(O[C@@H]2CCC[NH2+]CC2)cc1 ZINC001217995332 971561891 /nfs/dbraw/zinc/56/18/91/971561891.db2.gz NXBUSOVQSSSMBS-CYBMUJFWSA-N 2 0 234.343 1.709 20 0 BDADRP [NH3+]Cc1cccc(O[C@@H]2CC[NH2+]CC[C@H]2F)c1 ZINC001218016823 971573431 /nfs/dbraw/zinc/57/34/31/971573431.db2.gz GNSJVGDYZUZUHU-CHWSQXEVSA-N 2 0 238.306 1.614 20 0 BDADRP N[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)CC[C@H]1F ZINC001206153250 974254418 /nfs/dbraw/zinc/25/44/18/974254418.db2.gz CJMQIIZDJKJLEQ-YNEHKIRRSA-N 2 0 243.370 1.137 20 0 BDADRP C[C@@H]1C[C@H](Oc2ccc3c(n2)CC[NH2+]C3)CC[NH2+]1 ZINC001218059061 971594892 /nfs/dbraw/zinc/59/48/92/971594892.db2.gz IPWZIHOCKDEOLE-ZYHUDNBSSA-N 2 0 247.342 1.247 20 0 BDADRP [NH3+]Cc1cccc(O[C@H]2CC[NH2+][C@H]3CCO[C@@H]32)c1 ZINC001218160928 971608353 /nfs/dbraw/zinc/60/83/53/971608353.db2.gz VULPXXOLNLQZGA-IHRRRGAJSA-N 2 0 248.326 1.044 20 0 BDADRP C[C@@H](Oc1cccc2c1CC[NH2+]C2)C1C[NH2+]C1 ZINC001218193675 971622884 /nfs/dbraw/zinc/62/28/84/971622884.db2.gz IPGFZVADURNRDI-SNVBAGLBSA-N 2 0 232.327 1.319 20 0 BDADRP c1cc2c(c(O[C@H]3CCC34C[NH2+]C4)c1)C[NH2+]C2 ZINC001218243012 971651024 /nfs/dbraw/zinc/65/10/24/971651024.db2.gz VQSNKLQZLYBPPN-ZDUSSCGKSA-N 2 0 230.311 1.421 20 0 BDADRP CC(C)CC[N@@H+]1CC[C@@H](N)[C@@H](F)CC1 ZINC001206154260 974323889 /nfs/dbraw/zinc/32/38/89/974323889.db2.gz ICLYVAGYKXUPDA-WDEREUQCSA-N 2 0 202.317 1.794 20 0 BDADRP C[N@@H+]1CCC[C@H](CN2CC[C@@H]([NH3+])[C@@H](F)CC2)C1 ZINC001206156409 974337461 /nfs/dbraw/zinc/33/74/61/974337461.db2.gz QOJBXOQDGKMBQV-RWMBFGLXSA-N 2 0 243.370 1.089 20 0 BDADRP COCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172099093 974335645 /nfs/dbraw/zinc/33/56/45/974335645.db2.gz FFXMQZAUIAIFLW-CNDDSTCGSA-N 2 0 212.337 1.238 20 0 BDADRP [NH2+]=C(Cc1ccc(O[C@@H]2CCC[NH2+]C2)cc1)NO ZINC001218279410 971671591 /nfs/dbraw/zinc/67/15/91/971671591.db2.gz QBYFXKCASFCZRA-GFCCVEGCSA-N 2 0 249.314 1.316 20 0 BDADRP C[C@@H](CO)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172104940 974365667 /nfs/dbraw/zinc/36/56/67/974365667.db2.gz GUXOYGLZGFKDEU-FVCCEPFGSA-N 2 0 226.364 1.220 20 0 BDADRP CN(C)c1cc[nH+]c(NCC2C[NH+](C)C2)c1 ZINC001159218065 971745864 /nfs/dbraw/zinc/74/58/64/971745864.db2.gz LELIQRJYBXXESS-UHFFFAOYSA-N 2 0 220.320 1.121 20 0 BDADRP C[C@H]1C[NH2+]CC[C@H]1Oc1ccc2c(c1)C[NH2+]C2 ZINC001218416603 971787844 /nfs/dbraw/zinc/78/78/44/971787844.db2.gz UFEZTBGRNUFPTL-IINYFYTJSA-N 2 0 232.327 1.667 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1Oc1cccc(C[NH3+])c1 ZINC001218484076 971831589 /nfs/dbraw/zinc/83/15/89/971831589.db2.gz MUSLFXPCZMFBCL-MFKMUULPSA-N 2 0 220.316 1.522 20 0 BDADRP CC[C@@H](C)OCC[C@H](C)NC(=[NH2+])SCC[NH3+] ZINC001172318666 974528057 /nfs/dbraw/zinc/52/80/57/974528057.db2.gz KRPCZBCAZCTVHA-VHSXEESVSA-N 2 0 247.408 1.796 20 0 BDADRP CCC(=O)C(C)(C)C[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222526755 972541769 /nfs/dbraw/zinc/54/17/69/972541769.db2.gz FAIZVWWXWJKHAC-UHFFFAOYSA-N 2 0 244.354 1.755 20 0 BDADRP CO[C@H]1C[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC000309873163 971867662 /nfs/dbraw/zinc/86/76/62/971867662.db2.gz RNPLPABPWXFLJL-JSTMSRMQSA-N 2 0 226.364 1.626 20 0 BDADRP CC(C)[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001135378104 971880009 /nfs/dbraw/zinc/88/00/09/971880009.db2.gz IGEMIHYZSRSXFR-VXGBXAGGSA-N 2 0 243.395 1.219 20 0 BDADRP C[N@H+](CCC[NH+]1CCCC1)[C@H]1CCCOCC1 ZINC001170827185 971927088 /nfs/dbraw/zinc/92/70/88/971927088.db2.gz JKCQZNCDYNJHSP-AWEZNQCLSA-N 2 0 240.391 1.973 20 0 BDADRP Cc1ccc(N[C@H](C)[C@H]2C[NH2+]CCO2)[nH+]c1C ZINC001159494824 971935499 /nfs/dbraw/zinc/93/54/99/971935499.db2.gz AANPZQLJOVQVOO-VXGBXAGGSA-N 2 0 235.331 1.487 20 0 BDADRP C[C@@H](C[NH3+])C(=O)Nc1ccc(C(C)(C)C[NH3+])cc1 ZINC001218895385 971960833 /nfs/dbraw/zinc/96/08/33/971960833.db2.gz ORHUJQDFJPEBFH-JTQLQIEISA-N 2 0 249.358 1.456 20 0 BDADRP c1cc2c(cc1NC1=CC[NH2+]CC1)CC[NH2+]C2 ZINC001159601345 971974301 /nfs/dbraw/zinc/97/43/01/971974301.db2.gz VWGNYOYUCZXXCL-UHFFFAOYSA-N 2 0 229.327 1.621 20 0 BDADRP CC[C@]([NH3+])(CO)Nc1ccc2c(N)cc[nH+]c2c1 ZINC001170862121 971993184 /nfs/dbraw/zinc/99/31/84/971993184.db2.gz GIMHNPNCPVPBQE-CYBMUJFWSA-N 2 0 246.314 1.286 20 0 BDADRP CC[C@]([NH3+])(CO)Nc1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC001170864707 971993661 /nfs/dbraw/zinc/99/36/61/971993661.db2.gz VXSQUWYBQMIGBJ-UONOGXRCSA-N 2 0 249.358 1.580 20 0 BDADRP CC(C)[C@H](C)NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001219551723 972020240 /nfs/dbraw/zinc/02/02/40/972020240.db2.gz HJSDXMXCLFKSNE-RYUDHWBXSA-N 2 0 243.395 1.206 20 0 BDADRP CC[C@H](C)OCC[C@H](C)[NH2+]CCN(C)CC[NH3+] ZINC001172344721 974614668 /nfs/dbraw/zinc/61/46/68/974614668.db2.gz UTJMUNCIJACYQY-STQMWFEESA-N 2 0 245.411 1.060 20 0 BDADRP CC[C@@H](C)OCC[C@H](C)[NH2+]C1(C[NH3+])CC1 ZINC001172348590 974616993 /nfs/dbraw/zinc/61/69/93/974616993.db2.gz IUJQQFLZCOYJEM-WDEREUQCSA-N 2 0 214.353 1.661 20 0 BDADRP CCc1ncc(Cl)nc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170898070 972052746 /nfs/dbraw/zinc/05/27/46/972052746.db2.gz KZQANFWGELLEEV-SECBINFHSA-N 2 0 243.742 1.128 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1nncc2cc(F)ccc21 ZINC001170898473 972056269 /nfs/dbraw/zinc/05/62/69/972056269.db2.gz ODNUDPMURDRNCZ-NSHDSACASA-N 2 0 249.293 1.205 20 0 BDADRP Cc1c2cc[nH]c2ncc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170898589 972059708 /nfs/dbraw/zinc/05/97/08/972059708.db2.gz FLQVMSIFJLQAGR-LLVKDONJSA-N 2 0 233.319 1.259 20 0 BDADRP CCc1cc(Cl)nnc1N[C@H]([NH3+])CCC[NH3+] ZINC001170899562 972061355 /nfs/dbraw/zinc/06/13/55/972061355.db2.gz WJZNGGADJYZCFY-VIFPVBQESA-N 2 0 243.742 1.128 20 0 BDADRP COc1cccc(F)c1N[C@@H]([NH3+])CCC[NH3+] ZINC001170900580 972063810 /nfs/dbraw/zinc/06/38/10/972063810.db2.gz WPPOPSRGTKVJGR-SNVBAGLBSA-N 2 0 227.283 1.270 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1cncc(C2CC2)c1 ZINC001170900456 972064620 /nfs/dbraw/zinc/06/46/20/972064620.db2.gz LLQHKZVIJXDILR-GFCCVEGCSA-N 2 0 220.320 1.395 20 0 BDADRP Cc1ccc(N[C@@H]([NH3+])CCC[NH3+])c2ncccc12 ZINC001170900036 972066450 /nfs/dbraw/zinc/06/64/50/972066450.db2.gz HMDNGTPMHTXVHA-CYBMUJFWSA-N 2 0 244.342 1.979 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc2c(c1)CCC2 ZINC001170899731 972066629 /nfs/dbraw/zinc/06/66/29/972066629.db2.gz LYPSXKUZDPHXAV-ZDUSSCGKSA-N 2 0 219.332 1.611 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC001170900985 972068803 /nfs/dbraw/zinc/06/88/03/972068803.db2.gz SNFWMOJDNFZBBQ-UONOGXRCSA-N 3 0 248.374 1.547 20 0 BDADRP Cc1cc(N[C@H]([NH3+])CCC[NH3+])cnc1C ZINC001170900796 972069514 /nfs/dbraw/zinc/06/95/14/972069514.db2.gz YEVXXQHTHAQDFI-NSHDSACASA-N 2 0 208.309 1.134 20 0 BDADRP CNc1cccc(N[C@H]([NH3+])CCC[NH3+])c1C ZINC001170907154 972079606 /nfs/dbraw/zinc/07/96/06/972079606.db2.gz ZYTIADUAHGFFHB-LBPRGKRZSA-N 2 0 222.336 1.472 20 0 BDADRP Cc1cc2cccnc2c(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001159788496 972115623 /nfs/dbraw/zinc/11/56/23/972115623.db2.gz JHDLENVGFAVPNV-LLVKDONJSA-N 2 0 245.330 1.374 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CCOCC[NH3+])C[C@@H]1C ZINC001172359027 974629853 /nfs/dbraw/zinc/62/98/53/974629853.db2.gz KWHGLKQQQKUFHM-GRYCIOLGSA-N 2 0 214.353 1.376 20 0 BDADRP CC(C)(C)[C@@H](O)C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246019095 972120784 /nfs/dbraw/zinc/12/07/84/972120784.db2.gz CTUUMVTZRJTPFJ-GXTWGEPZSA-N 2 0 242.407 1.844 20 0 BDADRP CC(C)[C@@H]1C[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246090325 972143364 /nfs/dbraw/zinc/14/33/64/972143364.db2.gz WHSSQZNXHROGPA-RQJABVFESA-N 2 0 239.407 1.623 20 0 BDADRP CC1([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCOCC1 ZINC001246085265 972141342 /nfs/dbraw/zinc/14/13/42/972141342.db2.gz HZVZARVPOXWMFB-FOSCPWQOSA-N 2 0 224.348 1.428 20 0 BDADRP CC1(C)C[C@@H](N[C@@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC001246091282 972146158 /nfs/dbraw/zinc/14/61/58/972146158.db2.gz OHJREKRRKPXXKC-NWDGAFQWSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@@H](Cc1cccnc1)[NH2+]C[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246097498 972148199 /nfs/dbraw/zinc/14/81/99/972148199.db2.gz OOAWUYQVPAVHGF-VNHYZAJKSA-N 2 0 247.386 1.990 20 0 BDADRP C[NH2+]CCNC(=O)c1cccc([C@@H]2CCC[NH2+]2)c1 ZINC001220059062 972148221 /nfs/dbraw/zinc/14/82/21/972148221.db2.gz FMQIYSDFHASIBX-ZDUSSCGKSA-N 2 0 247.342 1.060 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](C[NH2+][C@H]2COC(C)(C)C2)C1 ZINC001246095671 972148973 /nfs/dbraw/zinc/14/89/73/972148973.db2.gz BXVTXZICJWQEOB-SDDRHHMPSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@@H](Cc1cccnc1)[NH2+]C[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001246098966 972154650 /nfs/dbraw/zinc/15/46/50/972154650.db2.gz KWWMBYHBTIQQJL-YDHLFZDLSA-N 2 0 247.386 1.848 20 0 BDADRP C[C@H](Cc1cccnc1)[NH2+]C[C@@H]1CCC[NH2+][C@H]1C ZINC001246105006 972169523 /nfs/dbraw/zinc/16/95/23/972169523.db2.gz AICNNUFFMFSTBL-IPYPFGDCSA-N 2 0 247.386 1.990 20 0 BDADRP CC[N@@H+]1CC[C@H](NC[C@H]2CC[C@@H](C)C[NH2+]2)C1 ZINC001246105165 972169624 /nfs/dbraw/zinc/16/96/24/972169624.db2.gz MLKNLNPQOWKMRU-UPJWGTAASA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[NH2+]C[C@@H](C)C2)CCO1 ZINC001246104004 972166510 /nfs/dbraw/zinc/16/65/10/972166510.db2.gz UDTVGNUNEBDIGL-UMSGYPCISA-N 2 0 226.364 1.389 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+]C1CCSCC1 ZINC001246114791 972178136 /nfs/dbraw/zinc/17/81/36/972178136.db2.gz XNDRIAGBFQMVTE-WDEREUQCSA-N 2 0 228.405 1.860 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCOC(C)(C)C2)[NH2+]C1 ZINC001246115691 972184084 /nfs/dbraw/zinc/18/40/84/972184084.db2.gz SIEZPHOOOYCFFB-JHJVBQTASA-N 2 0 240.391 1.922 20 0 BDADRP C1CC12C[NH2+]C[C@@H]2[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246131426 972187479 /nfs/dbraw/zinc/18/74/79/972187479.db2.gz JWDQGGLXZYBEQF-OLZOCXBDSA-N 3 0 249.402 1.250 20 0 BDADRP C[C@H]1CC[C@H]([NH2+]C2CC3(C2)CC[NH2+]CC3)CN1 ZINC001246176549 972208534 /nfs/dbraw/zinc/20/85/34/972208534.db2.gz LOWOKOHOHNQILP-RYUDHWBXSA-N 3 0 237.391 1.249 20 0 BDADRP C[C@]1(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[NH2+]C1 ZINC001246191680 972212980 /nfs/dbraw/zinc/21/29/80/972212980.db2.gz XBFZLZOFOAKVSY-HNGCFSAESA-N 2 0 223.364 1.001 20 0 BDADRP CC[C@@H](C)OCC[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC001246187239 972213650 /nfs/dbraw/zinc/21/36/50/972213650.db2.gz NEORBKOOTPYSIX-JHJVBQTASA-N 2 0 228.380 1.922 20 0 BDADRP CC[C@@H]1C[C@@H](NC[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246199152 972214356 /nfs/dbraw/zinc/21/43/56/972214356.db2.gz JDNRTJROLKEMOC-XQQFMLRXSA-N 2 0 225.380 1.106 20 0 BDADRP CC[C@@H]1CC(N[C@H]2C[C@H]([NH3+])C2)C[C@@H](CC)[NH2+]1 ZINC001246192055 972215775 /nfs/dbraw/zinc/21/57/75/972215775.db2.gz YLAXBZSCVQTTQP-DDHJBXDOSA-N 2 0 225.380 1.375 20 0 BDADRP COCc1ccc(NC(=[NH2+])SCC[NH3+])cc1 ZINC001167912560 956877740 /nfs/dbraw/zinc/87/77/40/956877740.db2.gz PWPVRWYOMRVZMG-UHFFFAOYSA-N 2 0 239.344 1.872 20 0 BDADRP OC[C@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246222620 972227294 /nfs/dbraw/zinc/22/72/94/972227294.db2.gz NKVLMYPYODYJSC-VEDUHTKKSA-N 2 0 238.375 1.410 20 0 BDADRP CC[C@H](C)[C@@H]([NH2+]C)C(=O)NCC1([NH3+])CCCC1 ZINC001220497287 972231636 /nfs/dbraw/zinc/23/16/36/972231636.db2.gz OSAOQAPXEAFZCJ-WDEREUQCSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246231567 972237996 /nfs/dbraw/zinc/23/79/96/972237996.db2.gz NKYMGQZAHXTXQH-JHJVBQTASA-N 3 0 225.380 1.106 20 0 BDADRP C[C@H]1C[C@H](N(C(N)=[NH2+])c2ccccc2)CC[NH2+]1 ZINC001246235142 972239861 /nfs/dbraw/zinc/23/98/61/972239861.db2.gz IZGZZLVCAUMZFY-CMPLNLGQSA-N 2 0 232.331 1.527 20 0 BDADRP C[NH+](C)[C@@H]1CCCN(C[C@@H]2CCC[N@H+](C)C2)C1 ZINC001208610184 957087786 /nfs/dbraw/zinc/08/77/86/957087786.db2.gz ZNSIPDBZRLWVFJ-ZIAGYGMSSA-N 2 0 239.407 1.354 20 0 BDADRP CC[N@@H+]1CCN(C[C@@H]2CCC[NH+](C)C2)C[C@H]1C ZINC001208612520 957097101 /nfs/dbraw/zinc/09/71/01/957097101.db2.gz BIIRRFQHURZFDU-ZIAGYGMSSA-N 2 0 239.407 1.354 20 0 BDADRP CCOC(=O)[C@H]1C[C@@H]([NH2+][C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246263043 972251160 /nfs/dbraw/zinc/25/11/60/972251160.db2.gz FGXPFHKOKMPBQR-WYUUTHIRSA-N 2 0 240.347 1.058 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC23CC[NH+](CC2)CC3)CC[NH2+]1 ZINC001246263863 972251438 /nfs/dbraw/zinc/25/14/38/972251438.db2.gz LPJDBUFKFZFDBK-OLZOCXBDSA-N 3 0 237.391 1.202 20 0 BDADRP C[NH2+]CCC(=O)NC[C@@H](C)CC(C)(C)CC[NH3+] ZINC001220767002 972257709 /nfs/dbraw/zinc/25/77/09/972257709.db2.gz ZKCMCKQXXVEHCR-NSHDSACASA-N 2 0 243.395 1.113 20 0 BDADRP CCOC(C)(C)C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC000705653228 957400213 /nfs/dbraw/zinc/40/02/13/957400213.db2.gz YRADGGXFFAGYTR-LLVKDONJSA-N 2 0 214.353 1.615 20 0 BDADRP COc1ccc2c(c1)C[C@@H]([NH2+]CC[C@H](C)[NH3+])C2 ZINC001246303242 972264964 /nfs/dbraw/zinc/26/49/64/972264964.db2.gz FEQVKHXSZKTHQV-GWCFXTLKSA-N 2 0 234.343 1.489 20 0 BDADRP C[C@H]1C[C@H]1C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001209426989 957447742 /nfs/dbraw/zinc/44/77/42/957447742.db2.gz HAIBRSPHLRUTQB-RYUDHWBXSA-N 2 0 208.349 1.670 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+]CCCC(C)(C)CO)CC1 ZINC000393370041 957449748 /nfs/dbraw/zinc/44/97/48/957449748.db2.gz DSSQQYQBMPSTAC-CYBMUJFWSA-N 2 0 242.407 1.859 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246307349 972270245 /nfs/dbraw/zinc/27/02/45/972270245.db2.gz WXZVYGHPWRDOGC-YNEHKIRRSA-N 3 0 225.380 1.236 20 0 BDADRP Nc1ccncc1C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC001209730290 957529517 /nfs/dbraw/zinc/52/95/17/957529517.db2.gz FMPMXYFJPOFZFE-GXSJLCMTSA-N 2 0 203.289 1.478 20 0 BDADRP C[N@@H+]1CC[C@H](Nc2ccc3[nH]c(N)[nH+]c3c2)C1 ZINC001167278227 957624651 /nfs/dbraw/zinc/62/46/51/957624651.db2.gz COJBDJNZBKVREA-VIFPVBQESA-N 2 0 231.303 1.261 20 0 BDADRP C[C@@H]1CC[C@H](N2C[C@@H](C[NH3+])c3ccccc32)C[NH2+]1 ZINC001246322262 972282806 /nfs/dbraw/zinc/28/28/06/972282806.db2.gz GYCOGJNRXKISGM-UPJWGTAASA-N 2 0 245.370 1.689 20 0 BDADRP C[C@H]1C[C@H](N[C@H]2C[NH2+]CCC2(C)C)CC[NH2+]1 ZINC001246324551 972285595 /nfs/dbraw/zinc/28/55/95/972285595.db2.gz FKGQJTJZFNWDSW-TUAOUCFPSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2C[NH2+]CCC2(C)C)CC[NH2+]1 ZINC001246324527 972286954 /nfs/dbraw/zinc/28/69/54/972286954.db2.gz FKGQJTJZFNWDSW-IJLUTSLNSA-N 2 0 225.380 1.105 20 0 BDADRP CC(C)CN(C(=O)[C@@H](C)[NH3+])[C@H]1CC[C@H]([NH3+])CC1 ZINC001221188258 972296960 /nfs/dbraw/zinc/29/69/60/972296960.db2.gz QTHRJYCFGDLPKA-IJLUTSLNSA-N 2 0 241.379 1.088 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCCOC(F)(F)F)C1 ZINC000713405701 957909285 /nfs/dbraw/zinc/90/92/85/957909285.db2.gz NFNPKWQFBRBRFZ-RKDXNWHRSA-N 2 0 240.269 1.582 20 0 BDADRP CN(C)c1cc[nH+]cc1Nc1c[nH+]cn1C ZINC001211245699 958103960 /nfs/dbraw/zinc/10/39/60/958103960.db2.gz RPPBTROPKSCUAG-UHFFFAOYSA-N 2 0 217.276 1.625 20 0 BDADRP CN(c1c[nH+]cn1C)c1cc(N)cc[nH+]1 ZINC001211248266 958116560 /nfs/dbraw/zinc/11/65/60/958116560.db2.gz KPFYESQYWRSJBM-UHFFFAOYSA-N 2 0 203.249 1.165 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC001246452880 972323889 /nfs/dbraw/zinc/32/38/89/972323889.db2.gz YBUIGDWUQATLNL-YIYPIFLZSA-N 3 0 239.407 1.482 20 0 BDADRP CCCC(C[NH3+])(CCC)NC(=O)CCC[NH2+]C ZINC001221373019 972331852 /nfs/dbraw/zinc/33/18/52/972331852.db2.gz VTDRRPMHUBTABE-UHFFFAOYSA-N 2 0 243.395 1.400 20 0 BDADRP CCCC(C[NH3+])(CCC)NC(=O)C(C)(C)C[NH3+] ZINC001221372778 972331443 /nfs/dbraw/zinc/33/14/43/972331443.db2.gz SLPZRVPCWMPGBR-UHFFFAOYSA-N 2 0 243.395 1.385 20 0 BDADRP C[C@H](c1cccnc1)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000257750972 958352709 /nfs/dbraw/zinc/35/27/09/958352709.db2.gz UVSBBTGEYYVIHD-VXGBXAGGSA-N 2 0 219.332 1.813 20 0 BDADRP CCC1(O)CC[NH+]([C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000707223273 958411903 /nfs/dbraw/zinc/41/19/03/958411903.db2.gz YNVWFVDEPSNCQG-RYUDHWBXSA-N 2 0 226.364 1.364 20 0 BDADRP C[C@H](C[C@@H]1CCOC1)[NH2+]CC1CC[NH+](C)CC1 ZINC000689834924 958416093 /nfs/dbraw/zinc/41/60/93/958416093.db2.gz JQKDHNJGGPCNDG-OCCSQVGLSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1CC[C@@H](N(C)CCc2ccncc2)C[NH2+]1 ZINC000398981232 958473358 /nfs/dbraw/zinc/47/33/58/958473358.db2.gz DNJOOZFITFLTOS-TZMCWYRMSA-N 2 0 233.359 1.696 20 0 BDADRP CC1CC[NH+](CCN[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000399004414 958480207 /nfs/dbraw/zinc/48/02/07/958480207.db2.gz WCPNRRKYOVUOTC-KBPBESRZSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H]1CC[C@@H](NCC[NH+]2CCCCC2)C[NH2+]1 ZINC000399016546 958480891 /nfs/dbraw/zinc/48/08/91/958480891.db2.gz CJQIUPFPLHVUNT-QWHCGFSZSA-N 2 0 225.380 1.202 20 0 BDADRP C[NH2+][C@@H](C)CC[NH2+]Cc1cccc2c1NCC2 ZINC001327004214 972364039 /nfs/dbraw/zinc/36/40/39/972364039.db2.gz INUDSZUFZFIIBZ-NSHDSACASA-N 2 0 233.359 1.742 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C2(c3ccc(N)cc3)CC2)CC[NH2+]1 ZINC001246504834 972366252 /nfs/dbraw/zinc/36/62/52/972366252.db2.gz SYYOHELLLZXCJQ-SMDDNHRTSA-N 2 0 245.370 1.988 20 0 BDADRP CO[C@@H]1CC[C@H]1[N@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000724152931 958738433 /nfs/dbraw/zinc/73/84/33/958738433.db2.gz FVQBLZKQPKAHJP-YNEHKIRRSA-N 2 0 226.364 1.485 20 0 BDADRP C[N@@H+](Cc1nccs1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693585231 958888666 /nfs/dbraw/zinc/88/86/66/958888666.db2.gz JVHZQHCJDYYBRD-DTORHVGOSA-N 2 0 211.334 1.312 20 0 BDADRP COC[C@@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000693587082 958892381 /nfs/dbraw/zinc/89/23/81/958892381.db2.gz XVFCLMOXIPWRMR-UTUOFQBUSA-N 2 0 212.337 1.082 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]CC2=CCCOC2)C12CCC2 ZINC000405237110 959421110 /nfs/dbraw/zinc/42/11/10/959421110.db2.gz FGLVSEMJUJDADK-NWDGAFQWSA-N 2 0 222.332 1.193 20 0 BDADRP Cc1cccnc1CC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405241442 959425316 /nfs/dbraw/zinc/42/53/16/959425316.db2.gz WJAJOWMXKRKGKU-KBPBESRZSA-N 2 0 245.370 1.792 20 0 BDADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)C=C(C)C ZINC001143932371 972429118 /nfs/dbraw/zinc/42/91/18/972429118.db2.gz SZHARWTVDXMQTC-UHFFFAOYSA-N 2 0 240.351 1.016 20 0 BDADRP CSC[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405327639 959439622 /nfs/dbraw/zinc/43/96/22/959439622.db2.gz VBSHWMXPAUYSSD-LPEHRKFASA-N 2 0 214.378 1.597 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000693880236 959457529 /nfs/dbraw/zinc/45/75/29/959457529.db2.gz WABPEDCATMTWRP-AVGNSLFASA-N 2 0 239.407 1.589 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CO[C@@H](C)[C@H]2C)CC1 ZINC000405683024 959488011 /nfs/dbraw/zinc/48/80/11/959488011.db2.gz VGLOWSQEUVDODV-MBNYWOFBSA-N 2 0 240.391 1.872 20 0 BDADRP [NH3+][C@H]1CCC[N@H+](C[C@H]2CCCOC2)CC1 ZINC000708503748 959525609 /nfs/dbraw/zinc/52/56/09/959525609.db2.gz KUWVNMXKWFIVFK-NEPJUHHUSA-N 2 0 212.337 1.226 20 0 BDADRP F[C@@H]1CCC[NH2+]C[C@H]1OCCC1CC[NH2+]CC1 ZINC001217776051 959585070 /nfs/dbraw/zinc/58/50/70/959585070.db2.gz XUYGECJKALDMLU-CHWSQXEVSA-N 2 0 244.354 1.483 20 0 BDADRP C(CO[C@H]1CCC[NH2+]CC1)C[C@H]1CCC[NH2+]C1 ZINC001217777399 959589265 /nfs/dbraw/zinc/58/92/65/959589265.db2.gz JRVLSTHIRWWVNN-KGLIPLIRSA-N 2 0 240.391 1.925 20 0 BDADRP [NH2+]=C(Nc1cccc2c1CCN2)SCC[NH3+] ZINC001167913323 959605624 /nfs/dbraw/zinc/60/56/24/959605624.db2.gz WVCRMZXFOYZGMX-UHFFFAOYSA-N 2 0 236.344 1.693 20 0 BDADRP C[NH+](C)CCCCO[C@@H]1CCC[NH2+]C1 ZINC000708579363 959619293 /nfs/dbraw/zinc/61/92/93/959619293.db2.gz QAHFRRPTKVOHKD-LLVKDONJSA-N 2 0 200.326 1.097 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](CCOCc2ccccc2)C1 ZINC000309720762 959689343 /nfs/dbraw/zinc/68/93/43/959689343.db2.gz MDXDRYOGCISULK-CQSZACIVSA-N 2 0 248.370 1.874 20 0 BDADRP CC1(C)[NH2+][C@@H](CO[C@@H]2CC[NH2+]CC2(C)C)CO1 ZINC001217877866 959697858 /nfs/dbraw/zinc/69/78/58/959697858.db2.gz DFWFEOWTKSXTIX-WDEREUQCSA-N 2 0 242.363 1.116 20 0 BDADRP C([C@H]1CCC[NH2+]1)N1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385025 972451685 /nfs/dbraw/zinc/45/16/85/972451685.db2.gz CXSWQTZQEMXQHO-KGLIPLIRSA-N 2 0 237.391 1.347 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCC[C@]3(CCO3)C2)CC1 ZINC001207399083 959726021 /nfs/dbraw/zinc/72/60/21/959726021.db2.gz YVZMROFQCZSJFK-AWEZNQCLSA-N 2 0 238.375 1.583 20 0 BDADRP C[C@@H]1CC[C@H](OCC[C@@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001217913540 959746086 /nfs/dbraw/zinc/74/60/86/959746086.db2.gz SSUTXCHNPGQPHW-AGIUHOORSA-N 2 0 226.364 1.533 20 0 BDADRP CC(C)(C)[C@@H]1C[C@@H](N2CC[C@](C)([NH3+])C2)CC[NH2+]1 ZINC001246531754 972454460 /nfs/dbraw/zinc/45/44/60/972454460.db2.gz TZUBOUWKYLXJIR-OBJOEFQTSA-N 2 0 239.407 1.576 20 0 BDADRP COC(=O)C1CCC([N@@H+]2CC[C@@](C)([NH3+])C2)CC1 ZINC001246531685 972454509 /nfs/dbraw/zinc/45/45/09/972454509.db2.gz SAJSNZWNTKDRPL-GCZXYKMCSA-N 2 0 240.347 1.141 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC000724826613 959797033 /nfs/dbraw/zinc/79/70/33/959797033.db2.gz YBDPNDGXXKDWEA-CHWSQXEVSA-N 2 0 224.348 1.097 20 0 BDADRP c1cc2c(c(O[C@H]3CCC[NH2+]CC3)c1)CC[NH2+]C2 ZINC001217994941 959821930 /nfs/dbraw/zinc/82/19/30/959821930.db2.gz LRTRVCVOODUUCE-ZDUSSCGKSA-N 2 0 246.354 1.853 20 0 BDADRP C[C@@H]1CC[C@H](Oc2cccc3c2C[NH2+]C3)C[NH2+]1 ZINC001218402822 960064644 /nfs/dbraw/zinc/06/46/44/960064644.db2.gz WJYAWNIBEDHEHH-PWSUYJOCSA-N 2 0 232.327 1.809 20 0 BDADRP O[C@]1(CF)CCC[N@H+](CC2CC[NH2+]CC2)CC1 ZINC001207436799 960091535 /nfs/dbraw/zinc/09/15/35/960091535.db2.gz PXYXWNOPQMJQIG-CYBMUJFWSA-N 2 0 244.354 1.173 20 0 BDADRP O=C1CCC[C@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@@H]12 ZINC001207442898 960132358 /nfs/dbraw/zinc/13/23/58/960132358.db2.gz IIOZDHYAHTZYJL-QWHCGFSZSA-N 2 0 236.359 1.287 20 0 BDADRP Cc1cc(Cl)ccc1CNC(C[NH3+])C[NH3+] ZINC000695309468 960196538 /nfs/dbraw/zinc/19/65/38/960196538.db2.gz CVFNWPGWMKOYGR-UHFFFAOYSA-N 2 0 227.739 1.024 20 0 BDADRP CCC(=O)Nc1cc(NCC[NH2+]C)cc[nH+]1 ZINC001167726292 960248856 /nfs/dbraw/zinc/24/88/56/960248856.db2.gz AUESMHVWKFEACJ-UHFFFAOYSA-N 2 0 222.292 1.061 20 0 BDADRP CCN(CCC[NH+]1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000695480149 960263497 /nfs/dbraw/zinc/26/34/97/960263497.db2.gz ARKZTDPRFQJGJZ-AWEZNQCLSA-N 2 0 239.407 1.546 20 0 BDADRP [NH3+]CCc1ccn(-c2cccc3c2C[NH2+]CC3)n1 ZINC001167731484 960271530 /nfs/dbraw/zinc/27/15/30/960271530.db2.gz IKUNQRGTYWYCQO-UHFFFAOYSA-N 2 0 242.326 1.019 20 0 BDADRP C(CN1CC[C@@]2(CCC[NH2+]2)C1)[C@H]1CCCC[NH2+]1 ZINC001222464883 972498711 /nfs/dbraw/zinc/49/87/11/972498711.db2.gz HDFWQURLGPBEMA-KGLIPLIRSA-N 2 0 237.391 1.347 20 0 BDADRP C[NH+]1CCC(CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001207480239 960385355 /nfs/dbraw/zinc/38/53/55/960385355.db2.gz XURINAZDIMDNCA-UHFFFAOYSA-N 2 0 240.391 1.829 20 0 BDADRP C(CN1CC[C@]2(CCC[NH2+]2)C1)[C@H]1CCCC[NH2+]1 ZINC001222464885 972501440 /nfs/dbraw/zinc/50/14/40/972501440.db2.gz HDFWQURLGPBEMA-ZIAGYGMSSA-N 2 0 237.391 1.347 20 0 BDADRP C[C@@H]1C[C@@H]([N@H+](CCO)Cc2ccccc2)CC[NH2+]1 ZINC000709478727 960619760 /nfs/dbraw/zinc/61/97/60/960619760.db2.gz ADVRMIHSSBGIKA-HIFRSBDPSA-N 2 0 248.370 1.621 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709487806 960620420 /nfs/dbraw/zinc/62/04/20/960620420.db2.gz CNGKADBKLQUOKH-YIPFDTCYSA-N 2 0 237.391 1.199 20 0 BDADRP CC[N@@H+]1CC[C@H](OC2CC[NH+](C)CC2)C1 ZINC001222504348 972527823 /nfs/dbraw/zinc/52/78/23/972527823.db2.gz RIFOEHWBQGPHKH-LBPRGKRZSA-N 2 0 212.337 1.191 20 0 BDADRP C[NH+]1CCC(O[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001222503697 972528675 /nfs/dbraw/zinc/52/86/75/972528675.db2.gz FGKFNIFQPDTEDF-CYBMUJFWSA-N 2 0 224.348 1.191 20 0 BDADRP c1[nH]nc2c1[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)CCC2 ZINC000423487681 960883434 /nfs/dbraw/zinc/88/34/34/960883434.db2.gz UNXHTFODMZRDPS-DGCLKSJQSA-N 2 0 248.374 1.909 20 0 BDADRP [NH2+]=CNc1ccc2c([C@@H]3CCC[NH2+]3)nnn2c1 ZINC001167864281 961332574 /nfs/dbraw/zinc/33/25/74/961332574.db2.gz DYRBHDMSWUSWAB-VIFPVBQESA-N 2 0 230.275 1.173 20 0 BDADRP Cc1ccc(C)c(NC(=[NH2+])NCCCC[NH3+])c1 ZINC001167878731 961438897 /nfs/dbraw/zinc/43/88/97/961438897.db2.gz OQXAIXZYPBYYFK-UHFFFAOYSA-N 2 0 234.347 1.979 20 0 BDADRP [NH2+]=C(NCCCC[NH3+])Nc1ccc2c(c1)CCO2 ZINC001167878532 961439649 /nfs/dbraw/zinc/43/96/49/961439649.db2.gz MJQMXNOMPWCAQV-UHFFFAOYSA-N 2 0 248.330 1.297 20 0 BDADRP Cc1ncccc1NC(=[NH2+])NCCCC[NH3+] ZINC001167881903 961464603 /nfs/dbraw/zinc/46/46/03/961464603.db2.gz LLOPFOKMWPIXPT-UHFFFAOYSA-N 2 0 221.308 1.065 20 0 BDADRP C[N@H+]([C@H]1C[C@H]2C[C@H]2C1)C1CCC([NH3+])CC1 ZINC001167901185 961610778 /nfs/dbraw/zinc/61/07/78/961610778.db2.gz CNUQVYQEUPHRDN-HKLPJWPXSA-N 2 0 208.349 1.987 20 0 BDADRP [NH2+]=C(Nc1ccc2c(c1)CCO2)SCC[NH3+] ZINC001167916002 961863266 /nfs/dbraw/zinc/86/32/66/961863266.db2.gz ZQXGIHGUERFYCK-UHFFFAOYSA-N 2 0 237.328 1.660 20 0 BDADRP CC[NH+](CC)CCNC(=[NH2+])N[C@H]1C[C@H]2C[C@H]2C1 ZINC001167924964 962005900 /nfs/dbraw/zinc/00/59/00/962005900.db2.gz WJNASZNZOKIZPR-GDNZZTSVSA-N 2 0 238.379 1.241 20 0 BDADRP CC[C@H]([NH3+])C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204727711 962075287 /nfs/dbraw/zinc/07/52/87/962075287.db2.gz LCPMPDANNFBGPZ-LBPRGKRZSA-N 3 0 225.380 1.189 20 0 BDADRP C[C@]1([NH3+])CCCN(C[C@@H]([NH3+])c2ccccc2)C1 ZINC001204937485 962081278 /nfs/dbraw/zinc/08/12/78/962081278.db2.gz CTCIPRAQXACBEE-KGLIPLIRSA-N 2 0 233.359 1.500 20 0 BDADRP CCC[N@H+](C)CC(=O)NC[C@H](C)C[NH2+]C(C)C ZINC001482162058 962188737 /nfs/dbraw/zinc/18/87/37/962188737.db2.gz PAAZTKITOPNLLS-GFCCVEGCSA-N 2 0 243.395 1.079 20 0 BDADRP C[NH+](C)[C@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000710720053 962446514 /nfs/dbraw/zinc/44/65/14/962446514.db2.gz SNRKVYXFBANVTE-WJLOJVBCSA-N 2 0 237.391 1.295 20 0 BDADRP [NH3+]C[C@@H]1CCCC[N@H+](Cc2ccc3n2CCC3)C1 ZINC001206648688 962607254 /nfs/dbraw/zinc/60/72/54/962607254.db2.gz OKKICQKJFXAQKT-ZDUSSCGKSA-N 2 0 247.386 1.995 20 0 BDADRP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+]([C@H]1C[C@H]3C[C@H]3C1)C2 ZINC001167956393 962808030 /nfs/dbraw/zinc/80/80/30/962808030.db2.gz PIUJYILRBIJBPO-XHJNMGKDSA-N 2 0 220.360 1.668 20 0 BDADRP Nc1cccc(N[C@H]2CCC[C@@H]([NH3+])C2)[nH+]1 ZINC001154973850 962928507 /nfs/dbraw/zinc/92/85/07/962928507.db2.gz AJXWXNJMEAISBR-BDAKNGLRSA-N 2 0 206.293 1.346 20 0 BDADRP Cc1cnc(N[C@@H]2CCC[C@H]([NH3+])C2)c(C[NH3+])c1 ZINC001154990108 962931517 /nfs/dbraw/zinc/93/15/17/962931517.db2.gz WGTFMQCERQKNJN-NWDGAFQWSA-N 2 0 234.347 1.531 20 0 BDADRP Cc1cc2[nH]ccc2c(NC[C@@H]2C[C@H](F)C[NH2+]2)[nH+]1 ZINC001155038119 962944539 /nfs/dbraw/zinc/94/45/39/962944539.db2.gz KKOGQCNYOOARIY-UWVGGRQHSA-N 2 0 248.305 1.983 20 0 BDADRP C[C@H]1[NH2+]CC[C@H]1Nc1cccc(N(C)C)n1 ZINC001155187712 963011909 /nfs/dbraw/zinc/01/19/09/963011909.db2.gz NHHFPVUOBYLAIQ-NXEZZACHSA-N 2 0 220.320 1.310 20 0 BDADRP Cc1c[nH+]c(N[C@H]2COCCC23C[NH2+]C3)c(C)c1 ZINC001155471069 963080933 /nfs/dbraw/zinc/08/09/33/963080933.db2.gz YITYLBSAOHPNMG-LBPRGKRZSA-N 2 0 247.342 1.489 20 0 BDADRP CN(C)c1cccc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)[nH+]1 ZINC001155584264 963117768 /nfs/dbraw/zinc/11/77/68/963117768.db2.gz ZACBZILAYVQDET-WOPDTQHZSA-N 2 0 246.358 1.558 20 0 BDADRP C[N@@H+]1CCC[C@H](CCNc2cc(N)cc[nH+]2)C1 ZINC001156381283 963330662 /nfs/dbraw/zinc/33/06/62/963330662.db2.gz PVQFWOCHJNOVQJ-LLVKDONJSA-N 2 0 234.347 1.808 20 0 BDADRP C[C@@]1([NH3+])CCN(Cc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001204770324 963397354 /nfs/dbraw/zinc/39/73/54/963397354.db2.gz DETSHWWUFBBFRK-OAHLLOKOSA-N 2 0 245.370 1.255 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCCCC[NH+](C)C)CCO1 ZINC001168072604 963601668 /nfs/dbraw/zinc/60/16/68/963601668.db2.gz UXETXYGTYMTFKD-CHWSQXEVSA-N 2 0 228.380 1.875 20 0 BDADRP Cc1cc2[nH]ccc2c(N[C@H]2C[NH2+]CC[C@H]2F)[nH+]1 ZINC001157447773 963609033 /nfs/dbraw/zinc/60/90/33/963609033.db2.gz KRASXVDUGGHPFT-PWSUYJOCSA-N 2 0 248.305 1.983 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCCN1c1[nH+]ccc2c1ccn2C ZINC001157731278 963709924 /nfs/dbraw/zinc/70/99/24/963709924.db2.gz ASNLWIFUIYPYBD-ZYHUDNBSSA-N 2 0 244.342 1.889 20 0 BDADRP C[C@H]1[C@H]([NH3+])CCCN1c1cc(N(C)C)cc[nH+]1 ZINC001157740967 963712011 /nfs/dbraw/zinc/71/20/11/963712011.db2.gz JAVCCNFHCNZFPP-CMPLNLGQSA-N 2 0 234.347 1.464 20 0 BDADRP C[C@H]1CN(c2[nH+]ccc3[nH]ccc32)C[C@H](C)[NH2+]1 ZINC001158172596 963819271 /nfs/dbraw/zinc/81/92/71/963819271.db2.gz JGSVKWXOJMWXCR-UWVGGRQHSA-N 2 0 230.315 1.750 20 0 BDADRP c1cc2c(cc[nH+]c2N2CC[N@H+]3CC[C@@H]3C2)[nH]1 ZINC001158426459 963869534 /nfs/dbraw/zinc/86/95/34/963869534.db2.gz ZYLSRZXDBXNZPB-SNVBAGLBSA-N 2 0 228.299 1.457 20 0 BDADRP Cc1c[nH+]c(N2CCC[C@](C)(C[NH3+])C2)cc1N ZINC001158684247 963903696 /nfs/dbraw/zinc/90/36/96/963903696.db2.gz MUMPOKFEHQNDSM-CYBMUJFWSA-N 2 0 234.347 1.537 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH2+][C@H]1CCCOC1 ZINC000822123836 963939256 /nfs/dbraw/zinc/93/92/56/963939256.db2.gz GDCLUWSUZHSNNQ-RYUDHWBXSA-N 2 0 212.337 1.239 20 0 BDADRP Cc1[nH+]c(NC[C@H]2COCC[NH2+]2)cc2[nH]ccc21 ZINC001159044725 963985103 /nfs/dbraw/zinc/98/51/03/963985103.db2.gz ZSRXJDMVZQBPIZ-JTQLQIEISA-N 2 0 246.314 1.272 20 0 BDADRP c1c(N=C2CCC[NH2+]C2)onc1[C@H]1CCCC[NH2+]1 ZINC001159313209 964058959 /nfs/dbraw/zinc/05/89/59/964058959.db2.gz JUYMQBUJVQGSOF-LLVKDONJSA-N 2 0 248.330 1.778 20 0 BDADRP [NH3+]Cc1cnn(-c2cccc3c2CC[C@@H]3[NH3+])c1 ZINC001168259583 964077398 /nfs/dbraw/zinc/07/73/98/964077398.db2.gz RHQUGLPYACTABX-LBPRGKRZSA-N 2 0 228.299 1.277 20 0 BDADRP C[NH+](C)/C=C/c1ccncc1-n1cc(C[NH3+])cn1 ZINC001168261904 964083287 /nfs/dbraw/zinc/08/32/87/964083287.db2.gz RRLONIKOIAPKKP-GQCTYLIASA-N 2 0 243.314 1.258 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]C2CC(F)(F)C2)C12CCC2 ZINC000697515863 964155131 /nfs/dbraw/zinc/15/51/31/964155131.db2.gz MBODCLJPDBOSOC-IUCAKERBSA-N 2 0 216.275 1.644 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1cc(N2CCCC2)cc[nH+]1 ZINC001159786580 964199176 /nfs/dbraw/zinc/19/91/76/964199176.db2.gz DZBOQCLLULBAPM-GFCCVEGCSA-N 3 0 249.362 1.117 20 0 BDADRP Cc1cc2ccccc2c(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001159787422 964199908 /nfs/dbraw/zinc/19/99/08/964199908.db2.gz WXJMSXARMIZWKB-CYBMUJFWSA-N 2 0 244.342 1.979 20 0 BDADRP Cc1cnc(N[C@H]([NH3+])CCC[NH3+])cc1C ZINC001159787671 964203280 /nfs/dbraw/zinc/20/32/80/964203280.db2.gz AZTTVEFMZBBNTA-JTQLQIEISA-N 2 0 208.309 1.134 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC(F)(F)C[C@H]1C ZINC000697562367 964322775 /nfs/dbraw/zinc/32/27/75/964322775.db2.gz SPEFXJSNRZBWRG-MXWKQRLJSA-N 2 0 232.318 1.962 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@H]2C[C@@](C)(O)C2)CC1 ZINC001168297551 964391764 /nfs/dbraw/zinc/39/17/64/964391764.db2.gz CBCZKKIQMQXLJM-JSTMSRMQSA-N 2 0 226.364 1.362 20 0 BDADRP C[NH+](C)C1CCC([NH+]2CCC(O)CC2)CC1 ZINC001168314308 964422121 /nfs/dbraw/zinc/42/21/21/964422121.db2.gz CXOHCHUWINCUCE-UHFFFAOYSA-N 2 0 226.364 1.316 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2CC[C@](F)(CO)C2)CC1 ZINC001168315569 964427118 /nfs/dbraw/zinc/42/71/18/964427118.db2.gz ZHMXPPGGQOVSAU-WXRRBKDZSA-N 2 0 244.354 1.266 20 0 BDADRP CC[C@H](C(=O)NCCC[NH2+]CC(C)C)[NH+](C)C ZINC001160889632 964435321 /nfs/dbraw/zinc/43/53/21/964435321.db2.gz MSIJPBCNOZGNGT-GFCCVEGCSA-N 2 0 243.395 1.079 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2CCC23COC3)CC1 ZINC001168324662 964444557 /nfs/dbraw/zinc/44/45/57/964444557.db2.gz TXTYLCSZUICUDW-UHFFFAOYSA-N 2 0 224.348 1.334 20 0 BDADRP C[NH+](C)C1CCC([N@H+](C)[C@H]2CCOC2)CC1 ZINC001168324032 964449547 /nfs/dbraw/zinc/44/95/47/964449547.db2.gz HCXXONZRYOFDAL-BPCQOVAHSA-N 2 0 226.364 1.580 20 0 BDADRP [NH3+]CCc1cn(-c2ccncn2)c2cc[nH+]cc12 ZINC001160944841 964456994 /nfs/dbraw/zinc/45/69/94/964456994.db2.gz ZMNSUCHTDQQTOS-UHFFFAOYSA-N 2 0 239.282 1.317 20 0 BDADRP CO[C@H](C)C1C[NH+](C2CCC([NH+](C)C)CC2)C1 ZINC001168328525 964460297 /nfs/dbraw/zinc/46/02/97/964460297.db2.gz JARLUYZFNZVPJF-LMWSTFAQSA-N 2 0 240.391 1.826 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2C[C@H]3CC[C@@H]2CO3)CC1 ZINC001168331108 964464277 /nfs/dbraw/zinc/46/42/77/964464277.db2.gz ZGWAXYAJRXOOIH-NWINJMCUSA-N 2 0 238.375 1.722 20 0 BDADRP C[C@@H]1C[N@@H+](C2CCC([NH+](C)C)CC2)[C@@H](C)CO1 ZINC001168330588 964466078 /nfs/dbraw/zinc/46/60/78/964466078.db2.gz SPJKYTLLSGGAQP-MRFVTOPCSA-N 2 0 240.391 1.968 20 0 BDADRP C[NH+](C)C1CCC([N@H+](C)CCF)CC1 ZINC001168334340 964468256 /nfs/dbraw/zinc/46/82/56/964468256.db2.gz RDJSCJUZBNDLJW-UHFFFAOYSA-N 2 0 202.317 1.761 20 0 BDADRP C[C@H](CC[NH2+]C[C@@H]1CCC=CO1)[NH+](C)C ZINC000697877619 964602163 /nfs/dbraw/zinc/60/21/63/964602163.db2.gz CCZZVLPGPCBZLG-NEPJUHHUSA-N 2 0 212.337 1.609 20 0 BDADRP CC(C)N(C(=O)C[N@H+](C)C(C)C)C(C)(C)C[NH3+] ZINC001142590530 964651432 /nfs/dbraw/zinc/65/14/32/964651432.db2.gz DKARTRIAZUYUPH-UHFFFAOYSA-N 2 0 243.395 1.301 20 0 BDADRP C[C@@H](CC[NH2+][C@H]1CCOC(C)(C)C1)[NH+](C)C ZINC000697908901 964677083 /nfs/dbraw/zinc/67/70/83/964677083.db2.gz NVHXFAXEQJHNIL-RYUDHWBXSA-N 2 0 228.380 1.874 20 0 BDADRP Cc1[nH+]ccc(NCCCC[NH+](C)C)c1F ZINC001161735771 964719179 /nfs/dbraw/zinc/71/91/79/964719179.db2.gz DBHVBXIEHKJBEH-UHFFFAOYSA-N 2 0 225.311 1.705 20 0 BDADRP Cc1ccc(N[C@H]2C[C@@](C)([NH3+])C2)[nH+]c1C ZINC001162328312 964930987 /nfs/dbraw/zinc/93/09/87/964930987.db2.gz NLRCRMQGBAHDRY-KLPPZKSPSA-N 2 0 205.305 1.990 20 0 BDADRP Nc1cc(N[C@@H]2CCC[C@@H]([NH3+])C2)[nH+]cc1F ZINC001162392606 964953800 /nfs/dbraw/zinc/95/38/00/964953800.db2.gz HQYHCPJSBAIVDI-HTQZYQBOSA-N 2 0 224.283 1.485 20 0 BDADRP Cc1cc(N(C)C)nc(N[C@H]2CCC[C@H]([NH3+])C2)[nH+]1 ZINC001162394479 964954671 /nfs/dbraw/zinc/95/46/71/964954671.db2.gz PKJLUQIINCOOLC-QWRGUYRKSA-N 2 0 249.362 1.533 20 0 BDADRP C[C@H]([NH3+])c1ccc(N[C@H]2CCC[C@H]([NH3+])C2)cn1 ZINC001162406092 964967169 /nfs/dbraw/zinc/96/71/69/964967169.db2.gz ZESFGJYETDVEPV-DCAQKATOSA-N 2 0 234.347 1.783 20 0 BDADRP CC1(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000698094249 964997570 /nfs/dbraw/zinc/99/75/70/964997570.db2.gz ZPWOSDKYFUAYAA-OBPIAQAESA-N 2 0 220.360 1.763 20 0 BDADRP Cc1c(N)cc[nH+]c1N[C@@H]1CC[NH2+][C@@H]1C ZINC001162666717 965101102 /nfs/dbraw/zinc/10/11/02/965101102.db2.gz MFHPFZIRBIITQO-PSASIEDQSA-N 2 0 206.293 1.135 20 0 BDADRP C1=C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000698220995 965112219 /nfs/dbraw/zinc/11/22/19/965112219.db2.gz OCBIJQQTPYPDKH-MROQNXINSA-N 2 0 206.333 1.683 20 0 BDADRP C(C1CC1)[NH+]1CCC(N2CC[N@@H+]3CC[C@H]3C2)CC1 ZINC001168395235 965148485 /nfs/dbraw/zinc/14/84/85/965148485.db2.gz RVPHIDVWGCOZRI-HNNXBMFYSA-N 2 0 249.402 1.251 20 0 BDADRP CCOc1cc[nH+]c(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)c1 ZINC001162791452 965173847 /nfs/dbraw/zinc/17/38/47/965173847.db2.gz BLCPIJUINDXCGC-RAIGVLPGSA-N 2 0 245.326 1.666 20 0 BDADRP Cc1ccc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)[nH+]c1C ZINC001162792932 965184412 /nfs/dbraw/zinc/18/44/12/965184412.db2.gz JGUOMYPZJDMGQV-JHJVBQTASA-N 2 0 229.327 1.884 20 0 BDADRP C/C=C(\NC=[NH2+])N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001163206007 965298463 /nfs/dbraw/zinc/29/84/63/965298463.db2.gz CKFCAKMQEQZIJL-CJOJVXGUSA-N 2 0 244.342 1.737 20 0 BDADRP NC(=[NH2+])c1nccn1-c1c[nH+]cc2cc[nH]c21 ZINC001168415764 965345139 /nfs/dbraw/zinc/34/51/39/965345139.db2.gz NRKIEZGLJNUHNU-UHFFFAOYSA-N 2 0 226.243 1.033 20 0 BDADRP C[C@H]([NH3+])c1ccc(-n2ccnc2C(N)=[NH2+])cc1 ZINC001168417801 965352642 /nfs/dbraw/zinc/35/26/42/965352642.db2.gz KWRQRTURMJPJLD-QMMMGPOBSA-N 2 0 229.287 1.176 20 0 BDADRP CC[N@H+](CCn1ccnc1)CC1CC[NH2+]CC1 ZINC000094024874 965388556 /nfs/dbraw/zinc/38/85/56/965388556.db2.gz FRJGLWNIFFMKFM-UHFFFAOYSA-N 2 0 236.363 1.205 20 0 BDADRP c1cc(N[C@H]2C[NH+]3CCC2CC3)cc2c1C[NH2+]C2 ZINC001163393370 965393205 /nfs/dbraw/zinc/39/32/05/965393205.db2.gz UCXPRXDCNUVSFI-HNNXBMFYSA-N 2 0 243.354 1.796 20 0 BDADRP CCOc1cc[nH+]c(N(C)CCC[NH+](C)C)c1 ZINC001163595578 965472282 /nfs/dbraw/zinc/47/22/82/965472282.db2.gz KEENLSYJOSBXDC-UHFFFAOYSA-N 2 0 237.347 1.868 20 0 BDADRP CN(CC[NH3+])c1ccc(C[N@H+](C)C2CC2)cn1 ZINC001163690721 965510602 /nfs/dbraw/zinc/51/06/02/965510602.db2.gz SPUGFEXVFVCVEI-UHFFFAOYSA-N 2 0 234.347 1.071 20 0 BDADRP C[NH2+]C1CN(c2ncccc2C[NH+]2CCCC2)C1 ZINC001163705016 965524951 /nfs/dbraw/zinc/52/49/51/965524951.db2.gz KRPOCCZVIIICBD-UHFFFAOYSA-N 2 0 246.358 1.085 20 0 BDADRP C[C@H](C[NH+](C)C)Nc1cccc2c1CC[C@H]2[NH3+] ZINC001163782548 965586788 /nfs/dbraw/zinc/58/67/88/965586788.db2.gz KWNRYGSYOOFPAS-ZWNOBZJWSA-N 2 0 233.359 1.995 20 0 BDADRP Cc1cc(C[NH3+])nn1-c1ccc2[nH]c(N)[nH+]c2c1 ZINC001163985694 965676951 /nfs/dbraw/zinc/67/69/51/965676951.db2.gz ZGGAWTFZHQJDEA-UHFFFAOYSA-N 2 0 242.286 1.098 20 0 BDADRP C[C@H](C[N@@H+]1CCC[C@H]([NH3+])CC1)C(F)(F)F ZINC001205094136 965723696 /nfs/dbraw/zinc/72/36/96/965723696.db2.gz IVSKNFCOHLFKOO-BDAKNGLRSA-N 2 0 224.270 1.998 20 0 BDADRP CC(C)N(CCC[NH3+])c1ccc2[nH]c(N)[nH+]c2c1 ZINC001164127214 965749169 /nfs/dbraw/zinc/74/91/69/965749169.db2.gz QROBWXXUVDPTMB-UHFFFAOYSA-N 2 0 247.346 1.709 20 0 BDADRP CC(C)N(CCC[NH3+])c1cccc(C[NH3+])n1 ZINC001164128907 965750432 /nfs/dbraw/zinc/75/04/32/965750432.db2.gz OHMXTQSJBXLEDJ-UHFFFAOYSA-N 2 0 222.336 1.104 20 0 BDADRP C[C@@H]1OCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1C ZINC000699206702 965815859 /nfs/dbraw/zinc/81/58/59/965815859.db2.gz XVDYMVLXNFYDSS-WSOGJNRSSA-N 2 0 238.375 1.626 20 0 BDADRP [NH3+][C@H]1CCCN(Cc2ccc(O)cn2)CC1 ZINC001205109253 965831565 /nfs/dbraw/zinc/83/15/65/965831565.db2.gz CLNLTMAEIITPOD-JTQLQIEISA-N 2 0 221.304 1.100 20 0 BDADRP FC1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000699299248 965838609 /nfs/dbraw/zinc/83/86/09/965838609.db2.gz FXMDJHYUNBACHN-VGPLMAKISA-N 2 0 226.339 1.951 20 0 BDADRP Cc1ccc(NOCC[NH3+])c(C[NH+](C)C)c1 ZINC001164439680 965882539 /nfs/dbraw/zinc/88/25/39/965882539.db2.gz VTRGUNWOXUFRPE-UHFFFAOYSA-N 2 0 223.320 1.359 20 0 BDADRP Cc1nc(C)c(CN2CCC[C@H]([NH3+])CC2)o1 ZINC001205124503 965896485 /nfs/dbraw/zinc/89/64/85/965896485.db2.gz SZNUEOIOANHLQO-NSHDSACASA-N 2 0 223.320 1.605 20 0 BDADRP C[C@H]1C[N@H+](C[C@@H]2CCC=CO2)C[C@H]1C[NH3+] ZINC001205131412 965937669 /nfs/dbraw/zinc/93/76/69/965937669.db2.gz YCHHAZVVZVKROW-TUAOUCFPSA-N 2 0 210.321 1.206 20 0 BDADRP Cc1cc(-n2ccnc2CC[NH3+])cc(C)[nH+]1 ZINC000304405029 965953643 /nfs/dbraw/zinc/95/36/43/965953643.db2.gz NHBNTMUQGUJCFK-UHFFFAOYSA-N 2 0 216.288 1.385 20 0 BDADRP CC[C@H]1COC[C@@H]1[NH2+]CCC[NH+](CC)CC ZINC000699550962 965966236 /nfs/dbraw/zinc/96/62/36/965966236.db2.gz HXDOPRKTSZXQNH-STQMWFEESA-N 2 0 228.380 1.733 20 0 BDADRP COc1cc[nH+]c(N2C[C@H]3C[NH+](C)C[C@@H]3C2)c1 ZINC001165145776 965973050 /nfs/dbraw/zinc/97/30/50/965973050.db2.gz WQCSBZAWTBICAR-GHMZBOCLSA-N 2 0 233.315 1.088 20 0 BDADRP CC[C@@H]1COC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000699555694 965973642 /nfs/dbraw/zinc/97/36/42/965973642.db2.gz CRMJUSWVZDMYTN-RKFYDKJMSA-N 2 0 238.375 1.626 20 0 BDADRP Cc1cc(C)[nH+]c(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1 ZINC001165144190 965973980 /nfs/dbraw/zinc/97/39/80/965973980.db2.gz HHUIDUGODMEDLO-BETUJISGSA-N 2 0 231.343 1.696 20 0 BDADRP Nc1cccc(N2CCC3(CC([NH3+])C3)CC2)[nH+]1 ZINC001165243430 966009129 /nfs/dbraw/zinc/00/91/29/966009129.db2.gz LJLFLOIWWFHKEI-UHFFFAOYSA-N 2 0 232.331 1.372 20 0 BDADRP C[N@@H+]1CCC[C@@H](CCNc2cc(C[NH3+])ccn2)C1 ZINC001165253793 966014658 /nfs/dbraw/zinc/01/46/58/966014658.db2.gz RQVWLDJGIZTMDP-LBPRGKRZSA-N 2 0 248.374 1.684 20 0 BDADRP Cc1cc2[nH]ccc2c(N2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)[nH+]1 ZINC001165381771 966071009 /nfs/dbraw/zinc/07/10/09/966071009.db2.gz DQCNPEWTZXWCDM-PEGIJTEDSA-N 2 0 228.299 1.265 20 0 BDADRP Cn1ccc2c1cc[nH+]c2N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001165393444 966088862 /nfs/dbraw/zinc/08/88/62/966088862.db2.gz SWIYERUBDGLEFC-WCQYABFASA-N 2 0 242.326 1.514 20 0 BDADRP CCC1([NH+](C)C)CC[NH+]([C@H](C)[C@@H](C)O)CC1 ZINC000715266424 966114598 /nfs/dbraw/zinc/11/45/98/966114598.db2.gz NTVSUDCZXICBFL-VXGBXAGGSA-N 2 0 228.380 1.562 20 0 BDADRP C[C@@H]1CC[C@@H]([NH3+])CN1Cc1cccc(C[NH3+])c1 ZINC001235902410 966150028 /nfs/dbraw/zinc/15/00/28/966150028.db2.gz FRMAYKHHBGPSBW-BXUZGUMPSA-N 2 0 233.359 1.457 20 0 BDADRP C[C@H](C[NH+](C)C)OCC[NH+]1CCCCC1 ZINC001206709512 966159564 /nfs/dbraw/zinc/15/95/64/966159564.db2.gz NCFLEBNPDHHKFS-GFCCVEGCSA-N 2 0 214.353 1.439 20 0 BDADRP C[NH+](C)C1CCC([NH2+]CC2CC(O)C2)CC1 ZINC000715281082 966179988 /nfs/dbraw/zinc/17/99/88/966179988.db2.gz XOEANLIALNVDEI-UHFFFAOYSA-N 2 0 226.364 1.220 20 0 BDADRP CC1(C[NH3+])CN(CCC[NH2+]C2CCCCC2)C1 ZINC001206711018 966184173 /nfs/dbraw/zinc/18/41/73/966184173.db2.gz CUXXKWCTPDCCLK-UHFFFAOYSA-N 2 0 239.407 1.579 20 0 BDADRP CC[C@@H](CCC(=O)OC)C[NH+]1CC(C)(C[NH3+])C1 ZINC001206711234 966190184 /nfs/dbraw/zinc/19/01/84/966190184.db2.gz HBIZDCVKMNGJEC-NSHDSACASA-N 2 0 242.363 1.246 20 0 BDADRP C[C@@H]1C[C@@H](C[NH+]2CC(C)(C[NH3+])C2)C[C@H](C)O1 ZINC001206711289 966198403 /nfs/dbraw/zinc/19/84/03/966198403.db2.gz HWAKMKUTKCIZNS-ZSBIGDGJSA-N 2 0 226.364 1.471 20 0 BDADRP [NH3+][C@@]12CC[C@H]1CN(Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001235994219 966213924 /nfs/dbraw/zinc/21/39/24/966213924.db2.gz UWTHLHYRFQKKCU-SMDDNHRTSA-N 2 0 242.326 1.486 20 0 BDADRP C[C@H]([NH3+])c1ccc(-n2ccnc2CC[NH3+])cc1 ZINC001166369966 966271446 /nfs/dbraw/zinc/27/14/46/966271446.db2.gz PHCMXNCCRFVOJC-JTQLQIEISA-N 2 0 230.315 1.393 20 0 BDADRP C[N@H+](CC1(C)CC[NH2+]CC1)[C@@H]1CCCC[C@@H]1N ZINC001236214683 966310908 /nfs/dbraw/zinc/31/09/08/966310908.db2.gz UQPVNCUAYMZOJU-QWHCGFSZSA-N 2 0 239.407 1.578 20 0 BDADRP CN(Cc1ccc(C[NH3+])cc1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236216648 966313256 /nfs/dbraw/zinc/31/32/56/966313256.db2.gz LEEMBQQYGJUQEM-GJZGRUSLSA-N 2 0 247.386 1.847 20 0 BDADRP [NH3+]C1CCN(c2cc(N3CCCC3)cc[nH+]2)CC1 ZINC001166664514 966354558 /nfs/dbraw/zinc/35/45/58/966354558.db2.gz PJBNREQEPQVBIG-UHFFFAOYSA-N 2 0 246.358 1.609 20 0 BDADRP [NH3+]Cc1cc(-c2cccc3c2CC[NH2+]C3)ncn1 ZINC001236345539 966370684 /nfs/dbraw/zinc/37/06/84/966370684.db2.gz ZHGHMSIDDAGYIL-UHFFFAOYSA-N 2 0 240.310 1.248 20 0 BDADRP CN(c1cc(N2CCCC2)cc[nH+]1)C1C[NH2+]C1 ZINC001166978592 966500051 /nfs/dbraw/zinc/50/00/51/966500051.db2.gz UHYYWRMPVQABOD-UHFFFAOYSA-N 2 0 232.331 1.090 20 0 BDADRP Cc1cnc(C2=CCC[NH2+]CC2)nc1C1C[NH2+]C1 ZINC001238941109 966799430 /nfs/dbraw/zinc/79/94/30/966799430.db2.gz ZTROVEAFGBNXQR-UHFFFAOYSA-N 2 0 244.342 1.239 20 0 BDADRP C/C=C(\NC=[NH2+])N1C[C@H](CC[NH3+])c2ccccc21 ZINC001168545442 966853872 /nfs/dbraw/zinc/85/38/72/966853872.db2.gz OVOLIKIWRDMUBM-SQOUDCGNSA-N 2 0 244.342 1.997 20 0 BDADRP Cc1ncccc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001204089072 966888617 /nfs/dbraw/zinc/88/86/17/966888617.db2.gz KCFIULGDQYITSN-QLFBSQMISA-N 2 0 245.370 1.820 20 0 BDADRP CCC1(Nc2ccc([C@@H]3CCC[NH2+]3)cn2)C[NH2+]C1 ZINC001168581460 966917375 /nfs/dbraw/zinc/91/73/75/966917375.db2.gz YDFCVHMHSAXBBN-LBPRGKRZSA-N 2 0 246.358 1.670 20 0 BDADRP c1cc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)co1 ZINC001239688731 967081398 /nfs/dbraw/zinc/08/13/98/967081398.db2.gz GWAOWQMRIACVAD-UHFFFAOYSA-N 2 0 229.283 1.751 20 0 BDADRP C[C@@H]1C[N@@H+](C2CCC([NH+](C)C)CC2)CCC1=O ZINC000715558804 967158915 /nfs/dbraw/zinc/15/89/15/967158915.db2.gz SJDLKLSZIQCUDN-PNESKVBLSA-N 2 0 238.375 1.770 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)CC[NH2+]1 ZINC000715568705 967183042 /nfs/dbraw/zinc/18/30/42/967183042.db2.gz IXQHHNKHHIOLSG-ZIHBUVQPSA-N 3 0 239.407 1.589 20 0 BDADRP Cc1nccnc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715572911 967187751 /nfs/dbraw/zinc/18/77/51/967187751.db2.gz UAHIVXLLQFZVLL-UHFFFAOYSA-N 2 0 248.374 1.747 20 0 BDADRP CC(C)C1(O)C[NH+](CC2CC[NH+](C)CC2)C1 ZINC000691349271 967258375 /nfs/dbraw/zinc/25/83/75/967258375.db2.gz LGGSSJYFJSUOMJ-UHFFFAOYSA-N 2 0 226.364 1.031 20 0 BDADRP C[C@H]1SCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H]1C ZINC000693561856 967265965 /nfs/dbraw/zinc/26/59/65/967265965.db2.gz KXLZPVWPSHJLMS-ZRUFSTJUSA-N 2 0 214.378 1.550 20 0 BDADRP Cc1ccc(C[NH+]2CCC(C[NH3+])CC2)c(N)n1 ZINC001205046630 967301257 /nfs/dbraw/zinc/30/12/57/967301257.db2.gz GHXPBLVDQDOONG-UHFFFAOYSA-N 2 0 234.347 1.143 20 0 BDADRP CCOc1ncccc1C[NH+]1CCC(C[NH3+])CC1 ZINC001205046281 967304564 /nfs/dbraw/zinc/30/45/64/967304564.db2.gz BBXUHRKVKWVHRO-UHFFFAOYSA-N 2 0 249.358 1.651 20 0 BDADRP [NH3+][C@H](CN1CCC[C@H]([NH3+])CC1)c1ccccc1 ZINC001205094837 967339826 /nfs/dbraw/zinc/33/98/26/967339826.db2.gz QZWPYMQYWFMWJH-UONOGXRCSA-N 2 0 233.359 1.500 20 0 BDADRP C[C@]1([NH3+])CCC[N@H+](C[C@@H]2CCOC2)CC1 ZINC001205255101 967446612 /nfs/dbraw/zinc/44/66/12/967446612.db2.gz GUAFFOIYJTZTRQ-RYUDHWBXSA-N 2 0 212.337 1.226 20 0 BDADRP Cc1nc(N)ccc1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205280577 967469990 /nfs/dbraw/zinc/46/99/90/967469990.db2.gz CTTYOJWYFFNOIY-AWEZNQCLSA-N 2 0 248.374 1.676 20 0 BDADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2cnccn2)CC1 ZINC001205546246 967686625 /nfs/dbraw/zinc/68/66/25/967686625.db2.gz SSHJWQFHNFBNPG-LBPRGKRZSA-N 2 0 238.310 1.130 20 0 BDADRP [NH3+]C[C@@]1(F)CCC[N@H+](CCC2CC2)CC1 ZINC001205545539 967687997 /nfs/dbraw/zinc/68/79/97/967687997.db2.gz JBLQBMIMZCGBFD-GFCCVEGCSA-N 2 0 214.328 1.939 20 0 BDADRP Cn1cccc1C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205546184 967688386 /nfs/dbraw/zinc/68/83/86/967688386.db2.gz RJDCWSZUWMDQEI-CYBMUJFWSA-N 2 0 239.338 1.678 20 0 BDADRP COCCC[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205545448 967693113 /nfs/dbraw/zinc/69/31/13/967693113.db2.gz HKFSPZGUKJONHS-NSHDSACASA-N 2 0 218.316 1.176 20 0 BDADRP C[C@H]1CC[N@H+](CCCCCO)CC[C@@H]1C[NH3+] ZINC001205603531 967720910 /nfs/dbraw/zinc/72/09/10/967720910.db2.gz PWMOZICGUBMEPM-QWHCGFSZSA-N 2 0 228.380 1.456 20 0 BDADRP C[C@H]1CC[N@H+](Cc2ncccn2)CC[C@H]1C[NH3+] ZINC001205617832 967731620 /nfs/dbraw/zinc/73/16/20/967731620.db2.gz OJDFGVSJBCWYDC-RYUDHWBXSA-N 2 0 234.347 1.283 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2ccns2)CC[C@@H]1C[NH3+] ZINC001205637897 967732491 /nfs/dbraw/zinc/73/24/91/967732491.db2.gz JUFNEAMZLPJNKB-GHMZBOCLSA-N 2 0 239.388 1.950 20 0 BDADRP C[C@H]1CC[N@H+](Cc2cc[nH]c2)CC[C@H]1C[NH3+] ZINC001205627221 967733297 /nfs/dbraw/zinc/73/32/97/967733297.db2.gz NYSDRROPXXMONT-AAEUAGOBSA-N 2 0 221.348 1.822 20 0 BDADRP Cc1ncncc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205652533 967740829 /nfs/dbraw/zinc/74/08/29/967740829.db2.gz PYLJFTABMZEPKD-YPMHNXCESA-N 2 0 248.374 1.592 20 0 BDADRP CS[C@@H](C)CC[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205662428 967750419 /nfs/dbraw/zinc/75/04/19/967750419.db2.gz ASRIULAEYMWDTO-NWDGAFQWSA-N 2 0 246.420 1.304 20 0 BDADRP [NH3+]Cc1cccc(N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC001162395387 967826738 /nfs/dbraw/zinc/82/67/38/967826738.db2.gz CJQQYLNJXZGRKR-YPMHNXCESA-N 2 0 219.332 1.827 20 0 BDADRP C[C@@H]1CC[C@@H](CN)[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC001205803901 967830435 /nfs/dbraw/zinc/83/04/35/967830435.db2.gz KISLLIJVTGSCSQ-RDBSUJKOSA-N 2 0 239.407 1.435 20 0 BDADRP CC[NH+]1CCC(C[NH2+]CCC2(CO)CC2)CC1 ZINC001205821488 967838623 /nfs/dbraw/zinc/83/86/23/967838623.db2.gz BFXPLEOYLDBJGI-UHFFFAOYSA-N 2 0 240.391 1.471 20 0 BDADRP C[C@]1(F)CCC[N@H+](CCCC[NH3+])CC1 ZINC001205851857 967853622 /nfs/dbraw/zinc/85/36/22/967853622.db2.gz CKXUHSGJIUXDNL-NSHDSACASA-N 2 0 202.317 1.939 20 0 BDADRP C[C@@H]1CC[N@H+](CC2CCSCC2)C[C@@H]1[NH3+] ZINC001205862955 967860415 /nfs/dbraw/zinc/86/04/15/967860415.db2.gz FGMDEDXQQAHHJX-PWSUYJOCSA-N 2 0 228.405 1.799 20 0 BDADRP COc1ccccc1CCN1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001205862954 967862047 /nfs/dbraw/zinc/86/20/47/967862047.db2.gz DYFBAHGZOVRWQH-OCCSQVGLSA-N 2 0 248.370 1.907 20 0 BDADRP COC1CC(C[N@@H+]2CCC[C@@H](C[NH3+])C2)C1 ZINC000703840776 967877780 /nfs/dbraw/zinc/87/77/80/967877780.db2.gz FIBPLKIQCZDVDB-UNXYVOJBSA-N 2 0 212.337 1.082 20 0 BDADRP COC1CC(C[NH+]2CCC(C)([NH3+])CC2)C1 ZINC000703887856 967882257 /nfs/dbraw/zinc/88/22/57/967882257.db2.gz CYHYTGDPSFFZIV-UHFFFAOYSA-N 2 0 212.337 1.225 20 0 BDADRP C[C@H]1C[N@H+](CC2CCOCC2)CCC[C@H]1C[NH3+] ZINC001205981132 967924762 /nfs/dbraw/zinc/92/47/62/967924762.db2.gz BUYCPSSMAKVLLK-JSGCOSHPSA-N 2 0 240.391 1.720 20 0 BDADRP C[C@H]1C[N@H+](CC23CC([NH3+])(C2)C3)CCC[C@@H]1C[NH3+] ZINC001205982198 967934183 /nfs/dbraw/zinc/93/41/83/967934183.db2.gz LKYJUXACRRVGQE-MRFVTOPCSA-N 3 0 237.391 1.175 20 0 BDADRP C[C@@H]1C[N@H+](CCCCO)CCC[C@@H]1C[NH3+] ZINC001205984680 967937210 /nfs/dbraw/zinc/93/72/10/967937210.db2.gz UCWISLVJOUMVPP-VXGBXAGGSA-N 2 0 214.353 1.066 20 0 BDADRP COCCCC[N@@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205985670 967939651 /nfs/dbraw/zinc/93/96/51/967939651.db2.gz ZMBJLNLPKWEANY-OLZOCXBDSA-N 2 0 228.380 1.720 20 0 BDADRP C[C@H]1C[N@H+](Cc2cc[nH]c(=O)c2)CCC[C@H]1C[NH3+] ZINC001205992581 967945007 /nfs/dbraw/zinc/94/50/07/967945007.db2.gz FMDZQFSXZANVCD-AAEUAGOBSA-N 2 0 249.358 1.594 20 0 BDADRP C[C@H]1C[N@H+](Cc2cnccc2N)CCC[C@H]1C[NH3+] ZINC001205996597 967948961 /nfs/dbraw/zinc/94/89/61/967948961.db2.gz XONNXTJFDITQNB-RYUDHWBXSA-N 2 0 248.374 1.301 20 0 BDADRP C[C@H]1C[N@H+](Cc2cnoc2)CCC[C@@H]1C[NH3+] ZINC001205996375 967949256 /nfs/dbraw/zinc/94/92/56/967949256.db2.gz WPTJUUYPYWGMND-CMPLNLGQSA-N 2 0 223.320 1.481 20 0 BDADRP C[C@H]1C[N@H+](Cc2cnn(C)c2)CCC[C@H]1C[NH3+] ZINC001205995236 967953708 /nfs/dbraw/zinc/95/37/08/967953708.db2.gz NJIKVOZRMBTUEX-AAEUAGOBSA-N 2 0 236.363 1.227 20 0 BDADRP c1csc([C@@H]2CC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)n1 ZINC000710446792 967955638 /nfs/dbraw/zinc/95/56/38/967955638.db2.gz YPSPHOSESLFLFC-GHMZBOCLSA-N 2 0 237.372 1.542 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccnnc2)CCC[C@@H]1C[NH3+] ZINC001206005585 967957612 /nfs/dbraw/zinc/95/76/12/967957612.db2.gz YUBGCHDPUOPDAB-DGCLKSJQSA-N 2 0 234.347 1.283 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccc(N)nc2)CCC[C@@H]1C[NH3+] ZINC001206011791 967967847 /nfs/dbraw/zinc/96/78/47/967967847.db2.gz GOSPAWZJXHSXMP-WCQYABFASA-N 2 0 248.374 1.471 20 0 BDADRP Cc1ncncc1C[N@@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206024530 967980173 /nfs/dbraw/zinc/98/01/73/967980173.db2.gz JSNNUPCLZRYHEO-DGCLKSJQSA-N 2 0 248.374 1.592 20 0 BDADRP Cc1ncncc1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206024531 967983878 /nfs/dbraw/zinc/98/38/78/967983878.db2.gz JSNNUPCLZRYHEO-WCQYABFASA-N 2 0 248.374 1.592 20 0 BDADRP Cc1cc[nH+]c(NC[C@]23C[NH2+]C[C@H]2COC3)c1C ZINC001163154751 967991355 /nfs/dbraw/zinc/99/13/55/967991355.db2.gz WQTZYDPCNJTWDB-JSGCOSHPSA-N 2 0 247.342 1.346 20 0 BDADRP CC[C@@H](CO)[N@H+](C)CC1CC[NH+](CC)CC1 ZINC001206042672 968010297 /nfs/dbraw/zinc/01/02/97/968010297.db2.gz ZKVYAEHZWFXKRO-ZDUSSCGKSA-N 2 0 228.380 1.421 20 0 BDADRP C[NH+](C)CC(C)(C)CN1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001206117116 968069573 /nfs/dbraw/zinc/06/95/73/968069573.db2.gz JIGSXOSVLFTABA-JTQLQIEISA-N 2 0 249.349 1.243 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@@H](N3CCCC3)C2)C1 ZINC000693569995 968081387 /nfs/dbraw/zinc/08/13/87/968081387.db2.gz UYZGKFBVYPTTIK-HZSPNIEDSA-N 2 0 237.391 1.284 20 0 BDADRP C[NH+]1CCC(C[N@H+]2CC[C@@H](F)[C@@H](N)CC2)CC1 ZINC001206154227 968090046 /nfs/dbraw/zinc/09/00/46/968090046.db2.gz HQEIAXNFOBGNKS-OLZOCXBDSA-N 2 0 243.370 1.089 20 0 BDADRP N[C@]1(C(F)(F)F)CC[N@H+](CCCCC[NH3+])C1 ZINC001206222468 968151773 /nfs/dbraw/zinc/15/17/73/968151773.db2.gz OUALAQVMTYAANN-SECBINFHSA-N 2 0 239.285 1.081 20 0 BDADRP Cc1cc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)no1 ZINC001206305070 968215941 /nfs/dbraw/zinc/21/59/41/968215941.db2.gz SKMMFJFSYHZZCG-ZDUSSCGKSA-N 2 0 237.347 1.934 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2cncc(O)c2)CC1 ZINC001206318057 968227635 /nfs/dbraw/zinc/22/76/35/968227635.db2.gz LVXFSESKYUXHPS-AWEZNQCLSA-N 2 0 249.358 1.738 20 0 BDADRP CC[NH+]1CCC(C[NH2+]CC2(COC)CC2)CC1 ZINC001206475498 968331392 /nfs/dbraw/zinc/33/13/92/968331392.db2.gz BDPDCYKTSIUVPI-UHFFFAOYSA-N 2 0 240.391 1.735 20 0 BDADRP [NH3+]C[C@H]1C[N@H+](Cc2ccc(C3CC3)cc2)C[C@H]1O ZINC001206480755 968334891 /nfs/dbraw/zinc/33/48/91/968334891.db2.gz JQWRUAFQHQUPMZ-LSDHHAIUSA-N 2 0 246.354 1.315 20 0 BDADRP CC[C@@H](O)C[NH2+][C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001251814016 968348515 /nfs/dbraw/zinc/34/85/15/968348515.db2.gz KQKMHIFOHNRPFM-IJLUTSLNSA-N 2 0 214.353 1.220 20 0 BDADRP Cc1cccc2c1[nH+]c(N)n2-c1cc[nH+]c(N)c1 ZINC001206521741 968350820 /nfs/dbraw/zinc/35/08/20/968350820.db2.gz BYADGOVEQUEMOX-UHFFFAOYSA-N 2 0 239.282 1.893 20 0 BDADRP Cn1cccc1C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206542002 968365698 /nfs/dbraw/zinc/36/56/98/968365698.db2.gz OZZJLYVGUHPVJI-AWEZNQCLSA-N 2 0 235.375 1.976 20 0 BDADRP CCC[N@H+](CCC[NH+](C)C)C[C@H](C)O ZINC001251962628 968402162 /nfs/dbraw/zinc/40/21/62/968402162.db2.gz KSWFDROQEFSCQJ-NSHDSACASA-N 2 0 202.342 1.031 20 0 BDADRP Cc1ncc(CN2CCCC[C@H](C[NH3+])C2)cn1 ZINC001206606864 968413470 /nfs/dbraw/zinc/41/34/70/968413470.db2.gz VHESQDQTBPNMLO-GFCCVEGCSA-N 2 0 234.347 1.346 20 0 BDADRP Cc1cc(CN2CCCC[C@@H](C[NH3+])C2)[nH]n1 ZINC001206606358 968414118 /nfs/dbraw/zinc/41/41/18/968414118.db2.gz LQLSRSMNKUQFIG-NSHDSACASA-N 2 0 222.336 1.279 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206606411 968415077 /nfs/dbraw/zinc/41/50/77/968415077.db2.gz NBWGZIMDNFKBRJ-ZDUSSCGKSA-N 2 0 227.396 1.566 20 0 BDADRP [NH3+]Cc1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)cc1 ZINC001206623358 968422755 /nfs/dbraw/zinc/42/27/55/968422755.db2.gz LHGWKRLXGXSMDV-OAHLLOKOSA-N 3 0 247.386 1.706 20 0 BDADRP CC1(C[NH3+])CN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC001206744160 968452402 /nfs/dbraw/zinc/45/24/02/968452402.db2.gz GPADYQACUKLJES-UHFFFAOYSA-N 2 0 245.370 1.113 20 0 BDADRP C[C@@H]1CC[C@H](C[NH3+])CN1CC[C@@H]1CCCC[NH2+]1 ZINC001206760340 968457863 /nfs/dbraw/zinc/45/78/63/968457863.db2.gz DSGYBSHFFGWNPW-MCIONIFRSA-N 3 0 239.407 1.578 20 0 BDADRP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc[nH]c3=O)C[C@@H]2C1 ZINC001207012799 968551534 /nfs/dbraw/zinc/55/15/34/968551534.db2.gz ZAAVISJAPDTUAN-BETUJISGSA-N 2 0 247.342 1.171 20 0 BDADRP C[NH+]1CCC2(C[NH+](Cc3cccc(=O)[nH]3)C2)CC1 ZINC001207070150 968600394 /nfs/dbraw/zinc/60/03/94/968600394.db2.gz IDKORKJEJRFEHP-UHFFFAOYSA-N 2 0 247.342 1.315 20 0 BDADRP C[NH+](C)CCCCC[NH2+]CC(C)(C)O ZINC001252365185 968642759 /nfs/dbraw/zinc/64/27/59/968642759.db2.gz FPTMOILNYSHTTI-UHFFFAOYSA-N 2 0 202.342 1.079 20 0 BDADRP C[NH+]1CCC(CCC[NH2+]CC(C)(C)O)CC1 ZINC001252368820 968648041 /nfs/dbraw/zinc/64/80/41/968648041.db2.gz MXWYCQSQXQTANQ-UHFFFAOYSA-N 2 0 228.380 1.469 20 0 BDADRP CCC[C@@H](CCO)[NH2+]CC1CC[NH+](CC)CC1 ZINC001207142010 968653801 /nfs/dbraw/zinc/65/38/01/968653801.db2.gz OJLAPDBXKXQPGF-AWEZNQCLSA-N 2 0 242.407 1.859 20 0 BDADRP [NH3+]C[C@H]1C[N@H+](CCC2CC2)CCC1(F)F ZINC000403235152 968671917 /nfs/dbraw/zinc/67/19/17/968671917.db2.gz OAQDIYAEVKXKCE-JTQLQIEISA-N 2 0 218.291 1.702 20 0 BDADRP C[NH+](C)CC(C)(C)C[N@H+](C)CCC1OCCO1 ZINC001207282334 968710405 /nfs/dbraw/zinc/71/04/05/968710405.db2.gz IOMIBNMBUSVMKT-UHFFFAOYSA-N 2 0 244.379 1.269 20 0 BDADRP C[C@@H]1C[N@H+](CC(C)(C)C[NH+](C)C)CC[C@@H]1O ZINC001207276297 968713186 /nfs/dbraw/zinc/71/31/86/968713186.db2.gz VCHNPHOWKPYTID-NEPJUHHUSA-N 2 0 228.380 1.277 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCC(=O)C(C)(C)C2)CC1 ZINC001207398853 968749308 /nfs/dbraw/zinc/74/93/08/968749308.db2.gz RISJXJFVAFVRNU-UHFFFAOYSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@]1(O)CCCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC001207436532 968768057 /nfs/dbraw/zinc/76/80/57/968768057.db2.gz MWNWSNZZOZSXDX-ZDUSSCGKSA-N 2 0 226.364 1.223 20 0 BDADRP CC[NH+]1C[C@@H]2C[NH+](C[C@H]3CCCOC3)C[C@H]2C1 ZINC001207468866 968789289 /nfs/dbraw/zinc/78/92/89/968789289.db2.gz JFWCIYGSHXDJPT-MGPQQGTHSA-N 2 0 238.375 1.297 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+](C[C@H]1CCCOC1)CC2 ZINC001207471534 968792743 /nfs/dbraw/zinc/79/27/43/968792743.db2.gz PEFNMBKVIWISAO-CYBMUJFWSA-N 2 0 238.375 1.441 20 0 BDADRP CO[C@H]1CCC[N@H+](CCC2CC[NH+](C)CC2)C1 ZINC001207479730 968794341 /nfs/dbraw/zinc/79/43/41/968794341.db2.gz MCXRXWYINKOFIZ-AWEZNQCLSA-N 2 0 240.391 1.829 20 0 BDADRP COCC[N@H+](C)CCC1CC[NH+](C)CC1 ZINC001207479379 968795131 /nfs/dbraw/zinc/79/51/31/968795131.db2.gz HBBVSCWKQRNMGQ-UHFFFAOYSA-N 2 0 214.353 1.297 20 0 BDADRP CC[N@H+](CCC1CC[NH+](C)CC1)C1COC1 ZINC001207487336 968798269 /nfs/dbraw/zinc/79/82/69/968798269.db2.gz YKUPYYUDCXFHCJ-UHFFFAOYSA-N 2 0 226.364 1.439 20 0 BDADRP CO[C@@H]1CCC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000829274883 968826019 /nfs/dbraw/zinc/82/60/19/968826019.db2.gz IFVZBKLZUZTLMK-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP CC[C@H](COC)[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001207835422 968896111 /nfs/dbraw/zinc/89/61/11/968896111.db2.gz CBQBETLIYSJQOA-UMSGYPCISA-N 2 0 226.364 1.341 20 0 BDADRP COCC[N@H+](C)CC1(C)CC[NH+](C)CC1 ZINC001208099971 968995228 /nfs/dbraw/zinc/99/52/28/968995228.db2.gz CBKSFYJUNVLJMU-UHFFFAOYSA-N 2 0 214.353 1.297 20 0 BDADRP C[NH+]1CCC(C)(C[N@@H+]2CC[C@](F)(CO)C2)CC1 ZINC001208107884 968999967 /nfs/dbraw/zinc/99/99/67/968999967.db2.gz LKRQXIVKPSKSJM-CYBMUJFWSA-N 2 0 244.354 1.125 20 0 BDADRP C[NH+]1CCC(C)(C[N@@H+]2CCC[C@@H]2CO)CC1 ZINC001208107882 969002608 /nfs/dbraw/zinc/00/26/08/969002608.db2.gz LKCCTIQZWMONLJ-GFCCVEGCSA-N 2 0 226.364 1.175 20 0 BDADRP C[N@H+](Cc1ccncn1)CC1(C)CC[NH+](C)CC1 ZINC001208116667 969007490 /nfs/dbraw/zinc/00/74/90/969007490.db2.gz ZSFIBEWSYBVILD-UHFFFAOYSA-N 2 0 248.374 1.640 20 0 BDADRP CC[NH+](CC)C[C@@H](O)C[NH2+]C[C@@H]1CCC[C@H]1F ZINC001253203349 969106004 /nfs/dbraw/zinc/10/60/04/969106004.db2.gz SCURGQGTKFXCCV-RWMBFGLXSA-N 2 0 246.370 1.417 20 0 BDADRP C[NH+](C)CC1(CN2CC[NH+](C)CC2)CCCC1 ZINC001208181994 969114234 /nfs/dbraw/zinc/11/42/34/969114234.db2.gz JHYZRXCEUWSUJF-UHFFFAOYSA-N 2 0 239.407 1.356 20 0 BDADRP CC[NH+](CC)C[C@H](O)C[NH2+]C(C)(C)CC1CC1 ZINC001253214062 969116612 /nfs/dbraw/zinc/11/66/12/969116612.db2.gz YSBRNBQZBKABAF-CYBMUJFWSA-N 2 0 242.407 1.857 20 0 BDADRP CC[NH+]1CCC(C[N@H+]2C[C@H](O)[C@@H](C)C2)CC1 ZINC001208592047 969146734 /nfs/dbraw/zinc/14/67/34/969146734.db2.gz BWHOJGQMMOXZBO-AAEUAGOBSA-N 2 0 226.364 1.031 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2C[C@H](F)C[C@H]2CO)CC1 ZINC001208593221 969148837 /nfs/dbraw/zinc/14/88/37/969148837.db2.gz QMRUSVGLXQFQLV-OLZOCXBDSA-N 2 0 244.354 1.123 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CCCN(C)CC2)CC1 ZINC001208593199 969151894 /nfs/dbraw/zinc/15/18/94/969151894.db2.gz DZOAWYTWUMBSGE-UHFFFAOYSA-N 2 0 239.407 1.356 20 0 BDADRP COC1(C)CC[NH+](C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001208604568 969155342 /nfs/dbraw/zinc/15/53/42/969155342.db2.gz QMYGMFZRGASZGD-CYBMUJFWSA-N 2 0 240.391 1.829 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CC[C@H](C(C)=O)C2)CC1 ZINC001208603187 969155716 /nfs/dbraw/zinc/15/57/16/969155716.db2.gz VWRUDRBREQRMQG-AWEZNQCLSA-N 2 0 238.375 1.629 20 0 BDADRP CC[NH+]1CCC(CN2CC[N@@H+]3CC[C@H]3C2)CC1 ZINC001208602478 969155858 /nfs/dbraw/zinc/15/58/58/969155858.db2.gz FODIWODSJCZKCA-AWEZNQCLSA-N 2 0 237.391 1.108 20 0 BDADRP CC[NH+]1CCC(CN2CC[N@@H+]3CC[C@@H]3C2)CC1 ZINC001208602479 969158181 /nfs/dbraw/zinc/15/81/81/969158181.db2.gz FODIWODSJCZKCA-CQSZACIVSA-N 2 0 237.391 1.108 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH+]2C[C@H]3[C@H](CC3(F)F)C2)C1 ZINC001208606879 969161697 /nfs/dbraw/zinc/16/16/97/969161697.db2.gz IQRKVJYDEYYRSM-TUAOUCFPSA-N 2 0 244.329 1.915 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH+]2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC001208607976 969165969 /nfs/dbraw/zinc/16/59/69/969165969.db2.gz DVTSPLTXXBCWRK-UPJWGTAASA-N 2 0 222.376 1.916 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCC[NH+](C)C2)CCC[C@@H]1O ZINC001208608688 969166979 /nfs/dbraw/zinc/16/69/79/969166979.db2.gz VSDCXUYWWTWFSS-MCIONIFRSA-N 2 0 240.391 1.421 20 0 BDADRP C[N@@H+]1CCC[C@@H](CN2CC[NH+]3CCC2CC3)C1 ZINC001208618327 969178526 /nfs/dbraw/zinc/17/85/26/969178526.db2.gz WNGKQECECLIRPD-CYBMUJFWSA-N 2 0 237.391 1.108 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccc(=O)[nH]c2)CCC[C@H]1C[NH3+] ZINC001205994841 969248942 /nfs/dbraw/zinc/24/89/42/969248942.db2.gz MNQSUPRMGVJSQV-AAEUAGOBSA-N 2 0 249.358 1.594 20 0 BDADRP CCC[N@H+](CCC[NH+](C)C)CCC(=O)OCC ZINC001209039127 969332582 /nfs/dbraw/zinc/33/25/82/969332582.db2.gz TXACVIGTYYQPPU-UHFFFAOYSA-N 2 0 244.379 1.603 20 0 BDADRP Cc1cnc(C[NH3+])n1-c1cccc(C[NH+](C)C)n1 ZINC001169028626 969347742 /nfs/dbraw/zinc/34/77/42/969347742.db2.gz QOQCYRBOSMZUAS-UHFFFAOYSA-N 2 0 245.330 1.096 20 0 BDADRP CSCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169092731 969386449 /nfs/dbraw/zinc/38/64/49/969386449.db2.gz CMPKLBDZYZWXBJ-JGPRNRPPSA-N 2 0 214.378 1.564 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1cnccn1)C2 ZINC001169098927 969391382 /nfs/dbraw/zinc/39/13/82/969391382.db2.gz MMKWQFDWNSZAMB-ZSOGYDGISA-N 2 0 246.358 1.234 20 0 BDADRP C[C@H]1OCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169078753 969397772 /nfs/dbraw/zinc/39/77/72/969397772.db2.gz FYQIRSCWRDWBLW-NJMOYASZSA-N 2 0 224.348 1.379 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)C2 ZINC001169077869 969400752 /nfs/dbraw/zinc/40/07/52/969400752.db2.gz AYCVRPATHSXXSV-VJUFMGLXSA-N 2 0 238.375 1.505 20 0 BDADRP COCC[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001209211470 969401804 /nfs/dbraw/zinc/40/18/04/969401804.db2.gz RBZGQIJGXBGFGO-CQSZACIVSA-N 2 0 240.391 1.973 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1CCOCC1)C2 ZINC001169079769 969405034 /nfs/dbraw/zinc/40/50/34/969405034.db2.gz LJWDAXDZUZGMTM-ZSOGYDGISA-N 2 0 238.375 1.628 20 0 BDADRP COC(C)(C)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169089547 969408600 /nfs/dbraw/zinc/40/86/00/969408600.db2.gz CHCKGXJDISCVIQ-ZSBIGDGJSA-N 2 0 226.364 1.626 20 0 BDADRP CCCC[C@@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169091856 969408648 /nfs/dbraw/zinc/40/86/48/969408648.db2.gz WISAZADYZWVBHD-FQUUOJAGSA-N 2 0 240.391 1.752 20 0 BDADRP COCC1([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCC1 ZINC001169089655 969409289 /nfs/dbraw/zinc/40/92/89/969409289.db2.gz FIMZEIXGTPEAFY-XYYAHUGASA-N 2 0 238.375 1.770 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCO1 ZINC001169117358 969412393 /nfs/dbraw/zinc/41/23/93/969412393.db2.gz ZBTCGFHPWPIASL-KSTCHIGDSA-N 2 0 238.375 1.769 20 0 BDADRP Cn1ccnc1CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169123080 969417849 /nfs/dbraw/zinc/41/78/49/969417849.db2.gz IRYRYOOMJKJUGL-CLLJXQQHSA-N 2 0 248.374 1.177 20 0 BDADRP C[C@@H]1COCC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169124204 969418803 /nfs/dbraw/zinc/41/88/03/969418803.db2.gz ASGGRXGJFFICMH-IGQOVBAYSA-N 2 0 238.375 1.580 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H](CO)C1)C2 ZINC001169122759 969419576 /nfs/dbraw/zinc/41/95/76/969419576.db2.gz CYCMYMKBEYHOIX-IGQOVBAYSA-N 2 0 238.375 1.316 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1ccncn1)C2 ZINC001169123098 969420572 /nfs/dbraw/zinc/42/05/72/969420572.db2.gz IZDLYRBLXYMBLT-BTTYYORXSA-N 2 0 246.358 1.234 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@]1(C)CCCOC1)C2 ZINC001169125347 969425910 /nfs/dbraw/zinc/42/59/10/969425910.db2.gz ZPFUFTYUWFWXHA-CRWXNKLISA-N 2 0 238.375 1.770 20 0 BDADRP C[N@H+](CC1CC1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169124523 969429225 /nfs/dbraw/zinc/42/92/25/969429225.db2.gz DSNHBJOURZZKKS-CLLJXQQHSA-N 2 0 208.349 1.953 20 0 BDADRP C[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@H]1O ZINC001169126970 969430181 /nfs/dbraw/zinc/43/01/81/969430181.db2.gz YNYABJPYUYOPNU-PEBLQZBPSA-N 2 0 238.375 1.314 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Nc1cccnc1C[NH3+])C2 ZINC001169111366 969447046 /nfs/dbraw/zinc/44/70/46/969447046.db2.gz PDDHEYPNTGHCJE-CNDDSTCGSA-N 2 0 246.358 1.577 20 0 BDADRP COC(C)(C)CC[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001209408934 969473779 /nfs/dbraw/zinc/47/37/79/969473779.db2.gz HMIAZPMBTZZSQE-TXEJJXNPSA-N 2 0 226.364 1.295 20 0 BDADRP C[C@H]([NH3+])c1ccn(-c2cccn3cncc23)n1 ZINC001169235417 969492233 /nfs/dbraw/zinc/49/22/33/969492233.db2.gz VWCUFYVWLYPFFA-VIFPVBQESA-N 2 0 227.271 1.540 20 0 BDADRP C[C@H]1C[C@H]1C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001209426854 969496379 /nfs/dbraw/zinc/49/63/79/969496379.db2.gz GQEJRZFGMKBSOS-RYUDHWBXSA-N 2 0 208.349 1.670 20 0 BDADRP CC[NH+]1CCC([NH2+]CCc2ncccn2)CC1 ZINC001169229905 969504504 /nfs/dbraw/zinc/50/45/04/969504504.db2.gz KXBUCLZGGANQCX-UHFFFAOYSA-N 2 0 234.347 1.093 20 0 BDADRP C[NH+](C)C1(C)CN(CCC[NH+]2CCCCC2)C1 ZINC001209450483 969520442 /nfs/dbraw/zinc/52/04/42/969520442.db2.gz KNCHPXZMUYGBOQ-UHFFFAOYSA-N 2 0 239.407 1.498 20 0 BDADRP CC[NH+]1CCC(N2CCOC[C@H]2C(C)C)CC1 ZINC001169265718 969524436 /nfs/dbraw/zinc/52/44/36/969524436.db2.gz QQAWAUFDFBZKHG-AWEZNQCLSA-N 2 0 240.391 1.828 20 0 BDADRP C[C@H]([NH3+])c1ccn(-c2cccc3c2CC[C@H]3[NH3+])n1 ZINC001169235761 969525482 /nfs/dbraw/zinc/52/54/82/969525482.db2.gz ZMTXSCLWFTUIOV-JOYOIKCWSA-N 2 0 242.326 1.838 20 0 BDADRP Nc1cc[nH+]cc1CN1CC[NH+](C2CCC2)CC1 ZINC001209727225 969579543 /nfs/dbraw/zinc/57/95/43/969579543.db2.gz KOBIYLZYISJSBW-UHFFFAOYSA-N 2 0 246.358 1.164 20 0 BDADRP CC(C)CN1CC[C@H]([NH2+][C@@H]2CCCOC2)C1 ZINC001254371300 969584007 /nfs/dbraw/zinc/58/40/07/969584007.db2.gz GHDIXRLJJCECRT-QWHCGFSZSA-N 2 0 226.364 1.485 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+]([C@H]3CCCOC3)C[C@@H]2C1 ZINC001254381912 969595181 /nfs/dbraw/zinc/59/51/81/969595181.db2.gz ZIIUQBHBTJLOBJ-AGIUHOORSA-N 2 0 224.348 1.049 20 0 BDADRP CCC[N@H+](CCC[NH+](C)C)[C@H]1CCCOC1 ZINC001254389622 969606512 /nfs/dbraw/zinc/60/65/12/969606512.db2.gz RBWJBVDMTUTWTI-ZDUSSCGKSA-N 2 0 228.380 1.829 20 0 BDADRP CCC[N@H+]1C[C@@H]2C[NH+]([C@@H]3CCCOC3)C[C@@H]2C1 ZINC001254388751 969607868 /nfs/dbraw/zinc/60/78/68/969607868.db2.gz HWXINKHEZNNVSV-HZSPNIEDSA-N 2 0 238.375 1.439 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+]C(C)(C)CCO)CC1 ZINC001254500724 969661250 /nfs/dbraw/zinc/66/12/50/969661250.db2.gz KCMKTAGYCHIHSD-LLVKDONJSA-N 2 0 214.353 1.221 20 0 BDADRP CC(C)N(CCC[NH3+])[C@H]1CCC[N@H+](C)CC1 ZINC001254501832 969668782 /nfs/dbraw/zinc/66/87/82/969668782.db2.gz YUOYCCUDMMSFNA-ZDUSSCGKSA-N 2 0 227.396 1.530 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CC[C@H](CO)CC2)CC1 ZINC001254502534 969668899 /nfs/dbraw/zinc/66/88/99/969668899.db2.gz FKMWYZUPZOSYSQ-IHRRRGAJSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@H](Cc1cnccn1)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001254504433 969675680 /nfs/dbraw/zinc/67/56/80/969675680.db2.gz VMRHBLYMRBPTJL-CHWSQXEVSA-N 2 0 248.374 1.482 20 0 BDADRP C[N@@H+]1CCC[C@@H](N(CC[NH3+])c2ccccn2)CC1 ZINC001254506449 969675819 /nfs/dbraw/zinc/67/58/19/969675819.db2.gz SNKFBJNCSUVPAD-CYBMUJFWSA-N 2 0 248.374 1.331 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH+]2CC[C@@](C)(CO)C2)CC1 ZINC001254515978 969678327 /nfs/dbraw/zinc/67/83/27/969678327.db2.gz IADOJILSEQSBCR-QWHCGFSZSA-N 2 0 226.364 1.175 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH+]2CCC(C)(O)CC2)CC1 ZINC001254515835 969690262 /nfs/dbraw/zinc/69/02/62/969690262.db2.gz DUPCMJLMTYUYFZ-LBPRGKRZSA-N 2 0 226.364 1.318 20 0 BDADRP COCC[N@H+](C(C)C)[C@H]1CCC[NH+](C)CC1 ZINC001254524243 969713002 /nfs/dbraw/zinc/71/30/02/969713002.db2.gz VKQQGLZKWCSMCN-ZDUSSCGKSA-N 2 0 228.380 1.828 20 0 BDADRP COC[C@H]1CC[N@@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254534236 969725156 /nfs/dbraw/zinc/72/51/56/969725156.db2.gz UWVQFITZLMXOCY-NWDGAFQWSA-N 2 0 212.337 1.191 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH+]2C[C@H]3[C@H](CF)[C@H]3C2)CC1 ZINC001254530186 969732276 /nfs/dbraw/zinc/73/22/76/969732276.db2.gz UUSLPJQMXHYPPQ-ZDEQEGDKSA-N 2 0 226.339 1.618 20 0 BDADRP C[N@@H+]1CC[C@H](CN[C@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254836491 969798394 /nfs/dbraw/zinc/79/83/94/969798394.db2.gz LZWWNUQSCAKIOB-KGLIPLIRSA-N 2 0 237.391 1.012 20 0 BDADRP C[N@@H+]1CC[C@@H](CN[C@@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254836493 969799732 /nfs/dbraw/zinc/79/97/32/969799732.db2.gz LZWWNUQSCAKIOB-UONOGXRCSA-N 2 0 237.391 1.012 20 0 BDADRP [NH3+][C@H]1CCC[C@H](N[C@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254845524 969803385 /nfs/dbraw/zinc/80/33/85/969803385.db2.gz OIMILGLZHUHYOW-IHRRRGAJSA-N 2 0 237.391 1.330 20 0 BDADRP CC1([NH3+])CCN([C@@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254847230 969804020 /nfs/dbraw/zinc/80/40/20/969804020.db2.gz GCPAGVAMINAKIA-CYBMUJFWSA-N 2 0 237.391 1.284 20 0 BDADRP CCN(CC[NH+](C)C)[C@H]1CC2CC[NH+](CC2)C1 ZINC001254852215 969805717 /nfs/dbraw/zinc/80/57/17/969805717.db2.gz FINBJFGSVXBOOE-AWEZNQCLSA-N 2 0 239.407 1.354 20 0 BDADRP CC[NH+]1CCN([C@@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254852295 969805820 /nfs/dbraw/zinc/80/58/20/969805820.db2.gz GAHNBTGQVLTEED-CQSZACIVSA-N 2 0 237.391 1.108 20 0 BDADRP CN(CCC[NH+](C)C)[C@H]1CC2CC[NH+](CC2)C1 ZINC001254851973 969806441 /nfs/dbraw/zinc/80/64/41/969806441.db2.gz DKORIQPVHMMRCQ-AWEZNQCLSA-N 2 0 239.407 1.354 20 0 BDADRP [NH3+]CCCc1nccn1[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254851979 969806471 /nfs/dbraw/zinc/80/64/71/969806471.db2.gz DUZRWAULZJASAB-CYBMUJFWSA-N 2 0 248.374 1.431 20 0 BDADRP C1C[C@H]2CN([C@H]3CC4CC[NH+](CC4)C3)CC[N@@H+]2C1 ZINC001254862060 969811967 /nfs/dbraw/zinc/81/19/67/969811967.db2.gz GXZZMBVGLQQODB-GJZGRUSLSA-N 2 0 249.402 1.251 20 0 BDADRP C[C@H](C[NH3+])C[N@H+](C)C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254937229 969823782 /nfs/dbraw/zinc/82/37/82/969823782.db2.gz ZVYUVJCYMOMBOX-GMTAPVOTSA-N 2 0 224.348 1.271 20 0 BDADRP [NH2+]=C(NCCCC[NH3+])NC1Cc2ccccc2C1 ZINC001255014171 969844065 /nfs/dbraw/zinc/84/40/65/969844065.db2.gz WRPBVMNEPPJARZ-UHFFFAOYSA-N 2 0 246.358 1.007 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+](C1CCOCC1)CC2 ZINC001255044057 969863579 /nfs/dbraw/zinc/86/35/79/969863579.db2.gz ITLLIOFVJNHGEQ-UHFFFAOYSA-N 2 0 224.348 1.193 20 0 BDADRP Cc1nc(CN2CCC[C@]3(CC[N@@H+](C)C3)C2)c[nH]1 ZINC001276682440 969868363 /nfs/dbraw/zinc/86/83/63/969868363.db2.gz MAXILIPUJJOGIR-CQSZACIVSA-N 2 0 248.374 1.636 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001210476002 969899917 /nfs/dbraw/zinc/89/99/17/969899917.db2.gz QTLJQMJQCUVQPT-OLZOCXBDSA-N 3 0 225.380 1.060 20 0 BDADRP C[C@H]1CC[N@H+](CCC2CC[NH2+]CC2)CC[NH2+]1 ZINC001210474223 969901167 /nfs/dbraw/zinc/90/11/67/969901167.db2.gz DXWWCQRCDOWHLE-LBPRGKRZSA-N 3 0 225.380 1.060 20 0 BDADRP CN1CCC[C@H]2C[N@@H+](C3CCSCC3)C[C@@H]21 ZINC001255094766 969931540 /nfs/dbraw/zinc/93/15/40/969931540.db2.gz KHHZPYNSOPVNQW-AAEUAGOBSA-N 2 0 240.416 1.908 20 0 BDADRP CCCC[C@@H](C)[NH2+]CCC[N@H+](C)CCO ZINC001255318568 970089186 /nfs/dbraw/zinc/08/91/86/970089186.db2.gz AFHSGRNKXSKPIE-GFCCVEGCSA-N 2 0 216.369 1.469 20 0 BDADRP CN(c1ccc([C@@H]2CCC[NH2+]2)cn1)C(C)(C)C[NH3+] ZINC001170052923 970091362 /nfs/dbraw/zinc/09/13/62/970091362.db2.gz MXPIWXWQEFHROC-LBPRGKRZSA-N 2 0 248.374 1.680 20 0 BDADRP Cc1c[nH+]c(NC(=N)SCC[NH3+])cc1N ZINC001157130807 970095925 /nfs/dbraw/zinc/09/59/25/970095925.db2.gz NQLVREIGOOGVIO-UHFFFAOYSA-N 2 0 225.321 1.011 20 0 BDADRP C[N@@H+]1CC[C@H](N(CCC[NH3+])C2CCCCC2)C1 ZINC001255411504 970132350 /nfs/dbraw/zinc/13/23/50/970132350.db2.gz GVVKTWQXUIBGDX-AWEZNQCLSA-N 2 0 239.407 1.674 20 0 BDADRP C[N@@H+]1CC[C@@H](n2cnc3ccc(C[NH3+])cc32)C1 ZINC001255415791 970134940 /nfs/dbraw/zinc/13/49/40/970134940.db2.gz QFODLSGZGQLOCR-LLVKDONJSA-N 2 0 230.315 1.372 20 0 BDADRP COc1ccc(N[C@@H]2CC[N@H+](C)C2)cc1C[NH3+] ZINC001255422483 970147709 /nfs/dbraw/zinc/14/77/09/970147709.db2.gz RFDOGZQZYFXPON-GFCCVEGCSA-N 2 0 235.331 1.270 20 0 BDADRP C[N@@H+]1CC[C@H](N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC001255436113 970166169 /nfs/dbraw/zinc/16/61/69/970166169.db2.gz PCNFBMSLGUCKSK-KBPBESRZSA-N 2 0 237.391 1.251 20 0 BDADRP C[NH2+]Cc1cccc(N[C@@H]2CC[N@H+](C)C2)c1 ZINC001255438422 970169829 /nfs/dbraw/zinc/16/98/29/970169829.db2.gz LVQLFEVUMKNPIC-CYBMUJFWSA-N 2 0 219.332 1.522 20 0 BDADRP C[N@@H+]1CCC[C@H](n2c3ccccc3nc2C[NH3+])C1 ZINC001255466455 970196374 /nfs/dbraw/zinc/19/63/74/970196374.db2.gz RHIBDJABWYCIHK-NSHDSACASA-N 2 0 244.342 1.762 20 0 BDADRP CCCC[N@H+](C)CCCN[C@@H]1CCC[NH+](C)C1 ZINC001255470327 970197731 /nfs/dbraw/zinc/19/77/31/970197731.db2.gz KWPPMKYGPULJPP-CQSZACIVSA-N 2 0 241.423 1.792 20 0 BDADRP C[N@@H+]1CCC[C@H](n2ncc3c2cccc3C[NH3+])C1 ZINC001255472170 970202469 /nfs/dbraw/zinc/20/24/69/970202469.db2.gz PQTPXEPZYFCBNX-LBPRGKRZSA-N 2 0 244.342 1.762 20 0 BDADRP C[N@@H+]1CCC[C@H](Nc2ccc(C[NH3+])nc2)C1 ZINC001255475860 970207820 /nfs/dbraw/zinc/20/78/20/970207820.db2.gz XCKRXRRFSVXLII-LBPRGKRZSA-N 2 0 220.320 1.046 20 0 BDADRP CCN(C)c1ccnc(NC2(C)CC[NH2+]CC2)n1 ZINC001157396608 970244514 /nfs/dbraw/zinc/24/45/14/970244514.db2.gz AIAHDFLSBPNRDH-UHFFFAOYSA-N 2 0 249.362 1.487 20 0 BDADRP Cc1nc2[nH]ccc2c(NC2(C)CC[NH2+]CC2)n1 ZINC001157396700 970245462 /nfs/dbraw/zinc/24/54/62/970245462.db2.gz GBJLUHZWJJZVGH-UHFFFAOYSA-N 2 0 245.330 1.820 20 0 BDADRP C[C@@H]1CN([C@@H]2CCC[NH+](C)C2)C[C@H](C)[N@H+]1C ZINC001255488818 970246166 /nfs/dbraw/zinc/24/61/66/970246166.db2.gz HMLVDHNWQDVQLA-FRRDWIJNSA-N 2 0 225.380 1.105 20 0 BDADRP CCCN(CCC[NH+](C)C)[C@H]1CCC[N@H+](C)C1 ZINC001255494587 970260589 /nfs/dbraw/zinc/26/05/89/970260589.db2.gz IZHYHFDBGKKZHL-AWEZNQCLSA-N 2 0 241.423 1.744 20 0 BDADRP C[C@H]1CC[C@H](NC(=[NH2+])NCCCC[NH3+])C1 ZINC001170104915 970300624 /nfs/dbraw/zinc/30/06/24/970300624.db2.gz OEMBRMFWUDLRMF-UWVGGRQHSA-N 2 0 212.341 1.028 20 0 BDADRP CCN(c1[nH+]ccc2[nH]ccc21)C1CN(C)C1 ZINC001157453423 970318270 /nfs/dbraw/zinc/31/82/70/970318270.db2.gz DZHMJXQQZJICEE-UHFFFAOYSA-N 2 0 230.315 1.703 20 0 BDADRP COC[C@H](C)[NH2+]CCCCC[NH+](C)C ZINC001255554095 970329310 /nfs/dbraw/zinc/32/93/10/970329310.db2.gz ICUWDTUBQQBAOH-NSHDSACASA-N 2 0 202.342 1.343 20 0 BDADRP C[C@H]1CC[C@@H]([NH+]2CCN(CCCC[NH3+])CC2)C1 ZINC001170121125 970356382 /nfs/dbraw/zinc/35/63/82/970356382.db2.gz LKEOXRQDELBLKK-UONOGXRCSA-N 2 0 239.407 1.532 20 0 BDADRP C[C@H]1CC[C@H]([N@H+](C)CCN2CC[NH+](C)CC2)C1 ZINC001170151701 970458826 /nfs/dbraw/zinc/45/88/26/970458826.db2.gz RQWIVSVMXOAUJZ-KBPBESRZSA-N 2 0 239.407 1.354 20 0 BDADRP C[C@H]1CC[C@H]([NH+]2CC(N3CC[NH+](C)CC3)C2)C1 ZINC001170160463 970499414 /nfs/dbraw/zinc/49/94/14/970499414.db2.gz ZOKXJLKWQTXBNK-STQMWFEESA-N 2 0 237.391 1.107 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](CO)C(C)C ZINC001255941653 970568722 /nfs/dbraw/zinc/56/87/22/970568722.db2.gz WCKKKGWNIHGOLP-STQMWFEESA-N 2 0 230.396 1.713 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]C1CSC1 ZINC001255942601 970578189 /nfs/dbraw/zinc/57/81/89/970578189.db2.gz GCOYUWWHJPBMEE-SNVBAGLBSA-N 2 0 216.394 1.812 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]CCSCC[NH3+] ZINC001255952393 970588870 /nfs/dbraw/zinc/58/88/70/970588870.db2.gz UKTRMKQEFAHVIF-GFCCVEGCSA-N 3 0 247.452 1.388 20 0 BDADRP CCOC[C@H](C)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000400332464 970579841 /nfs/dbraw/zinc/57/98/41/970579841.db2.gz GHUUUPMIXPAWAP-QWRGUYRKSA-N 2 0 214.353 1.389 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)c1ncc[nH]1)C1CC[NH2+]CC1 ZINC000400434270 970589223 /nfs/dbraw/zinc/58/92/23/970589223.db2.gz MCKRTDOHABSPNU-ZJUUUORDSA-N 2 0 222.336 1.448 20 0 BDADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N[C@@H](C)CC[NH+](C)C ZINC000400783449 970629997 /nfs/dbraw/zinc/62/99/97/970629997.db2.gz IFRCVLMTPKHINF-SRVKXCTJSA-N 2 0 243.395 1.206 20 0 BDADRP [NH3+]Cc1cn(C2CC[NH+](C3CC3)CC2)cn1 ZINC001256066101 970630479 /nfs/dbraw/zinc/63/04/79/970630479.db2.gz RJUVKXKNZQXFDV-UHFFFAOYSA-N 2 0 220.320 1.141 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)[C@@H]1CCCOC1 ZINC000400809476 970631188 /nfs/dbraw/zinc/63/11/88/970631188.db2.gz XPMNYNWUORCFEC-OUCADQQQSA-N 2 0 240.391 1.779 20 0 BDADRP C1=CO[C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000400922914 970646569 /nfs/dbraw/zinc/64/65/69/970646569.db2.gz GKYZNFGLPFEGRR-DGAVXFQQSA-N 2 0 236.359 1.657 20 0 BDADRP C[NH+]1CC(CNc2ccc([C@@H]3CCC[NH2+]3)cn2)C1 ZINC001170252480 970661068 /nfs/dbraw/zinc/66/10/68/970661068.db2.gz NSHDEPMTYCIOAP-ZDUSSCGKSA-N 2 0 246.358 1.480 20 0 BDADRP C[NH+]1CCC(Nc2cccc(CC[NH3+])c2)CC1 ZINC001256198085 970691951 /nfs/dbraw/zinc/69/19/51/970691951.db2.gz AIPXRONMFRFCAJ-UHFFFAOYSA-N 2 0 233.359 1.694 20 0 BDADRP C[NH+]1CCC(N2C[C@@H](C[NH3+])c3ccccc32)CC1 ZINC001256200318 970694739 /nfs/dbraw/zinc/69/47/39/970694739.db2.gz PZQAFQHVGCWBAM-GFCCVEGCSA-N 2 0 245.370 1.643 20 0 BDADRP CN1CCC([N@@H+]2CC[C@@](C)(CF)C2)CC1 ZINC001256202767 970705426 /nfs/dbraw/zinc/70/54/26/970705426.db2.gz LWFYLCMBHRKURC-LBPRGKRZSA-N 2 0 214.328 1.762 20 0 BDADRP CN1CCC([NH+]2CC3(C2)CCOCC3)CC1 ZINC001256207805 970709702 /nfs/dbraw/zinc/70/97/02/970709702.db2.gz QOUMFDVTVFSLKZ-UHFFFAOYSA-N 2 0 224.348 1.193 20 0 BDADRP C[N@@H+]1C[C@@H]2CCCN(C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001256209479 970714364 /nfs/dbraw/zinc/71/43/64/970714364.db2.gz WWMYIKVGCUSDIU-GXTWGEPZSA-N 2 0 237.391 1.107 20 0 BDADRP C[NH+]1CCC(n2ccnc2[C@H]2CCC[NH2+]C2)CC1 ZINC001256209446 970715254 /nfs/dbraw/zinc/71/52/54/970715254.db2.gz VZHPOBCKPWOEDD-LBPRGKRZSA-N 2 0 248.374 1.617 20 0 BDADRP CCC[N@H+](C1CCOCC1)C1CCN(C)CC1 ZINC001256210851 970715953 /nfs/dbraw/zinc/71/59/53/970715953.db2.gz MIFUUMTUWCLJDF-UHFFFAOYSA-N 2 0 240.391 1.972 20 0 BDADRP C[N@@H+]1CC[C@@]2(CCN(C3CC[NH+](C)CC3)C2)C1 ZINC001256211389 970718041 /nfs/dbraw/zinc/71/80/41/970718041.db2.gz VULIADGHULVSQF-CQSZACIVSA-N 2 0 237.391 1.108 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H]2CO[C@H](C)C2)C1 ZINC000401867999 970744768 /nfs/dbraw/zinc/74/47/68/970744768.db2.gz AEFOSSZTUWHUGF-JHJVBQTASA-N 2 0 226.364 1.484 20 0 BDADRP CSCCC[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222528625 972549865 /nfs/dbraw/zinc/54/98/65/972549865.db2.gz YVAPGAKTBKXWGC-UHFFFAOYSA-N 2 0 220.357 1.502 20 0 BDADRP [NH3+]CC1(F)CC[NH+](CCC2CCOCC2)CC1 ZINC001222527945 972549918 /nfs/dbraw/zinc/54/99/18/972549918.db2.gz RCXLEKHHJCAHGE-UHFFFAOYSA-N 2 0 244.354 1.566 20 0 BDADRP [NH3+]CC1(F)CC[NH+](Cc2ccc(O)cn2)CC1 ZINC001222542308 972558353 /nfs/dbraw/zinc/55/83/53/972558353.db2.gz FEEDUVCYUKDBOR-UHFFFAOYSA-N 2 0 239.294 1.050 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+]Cc1cnc2ccccn12 ZINC001327416923 972570564 /nfs/dbraw/zinc/57/05/64/972570564.db2.gz VQJFJGQUDRLXPF-NSHDSACASA-N 2 0 232.331 1.279 20 0 BDADRP C(CN1CC[C@H]2C[NH2+]CC[C@H]21)[C@H]1CCCC[NH2+]1 ZINC001222614138 972604755 /nfs/dbraw/zinc/60/47/55/972604755.db2.gz AFNVOTASZVGOJY-BFHYXJOUSA-N 2 0 237.391 1.202 20 0 BDADRP c1nc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)n[nH]1 ZINC001327562244 972638851 /nfs/dbraw/zinc/63/88/51/972638851.db2.gz KKIWOSHTZMRBQC-NEPJUHHUSA-N 2 0 249.362 1.016 20 0 BDADRP C[C@@H](Cc1ccncc1)[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001246546723 972648706 /nfs/dbraw/zinc/64/87/06/972648706.db2.gz NKGJSTIHSGRWQH-JSGCOSHPSA-N 2 0 233.359 1.826 20 0 BDADRP CC[N@@H+]1CCC[C@H](CN[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC001327710481 972708490 /nfs/dbraw/zinc/70/84/90/972708490.db2.gz GIGZFWGEWTXHGL-HZSPNIEDSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H](C)[C@@H](O)CC2)CC[NH2+]1 ZINC001246551911 972729456 /nfs/dbraw/zinc/72/94/56/972729456.db2.gz NVVWNFMKJMAQBY-LPWJVIDDSA-N 2 0 226.364 1.220 20 0 BDADRP C[C@@H]1CC[C@H](C[NH3+])N([C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246553539 972750950 /nfs/dbraw/zinc/75/09/50/972750950.db2.gz BDIGKGYSBQTSRC-MROQNXINSA-N 2 0 225.380 1.186 20 0 BDADRP CC[N@@H+]1CC[C@H](NCC[C@H](C)[NH2+]C)[C@@H](C)C1 ZINC001327838031 972755018 /nfs/dbraw/zinc/75/50/18/972755018.db2.gz CPXHZNNKZOLGSP-AVGNSLFASA-N 2 0 227.396 1.304 20 0 BDADRP C[NH2+][C@H](C)CCN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC001327839921 972755380 /nfs/dbraw/zinc/75/53/80/972755380.db2.gz ORWLWUBCOUZRLI-HZSPNIEDSA-N 2 0 241.423 1.885 20 0 BDADRP C[C@@H]1CC(N2CCCC[C@H]([NH3+])C2)C[C@@H](C)[NH2+]1 ZINC001246557866 972771140 /nfs/dbraw/zinc/77/11/40/972771140.db2.gz JGABZOMRHPUPLW-UTUOFQBUSA-N 2 0 225.380 1.329 20 0 BDADRP C[C@@H]1CC[C@H](CN)[N@@H+]([C@@H]2CCC3(C[NH2+]C3)C2)C1 ZINC001246558488 972779510 /nfs/dbraw/zinc/77/95/10/972779510.db2.gz QIMBFKPUARULJU-JHJVBQTASA-N 2 0 237.391 1.188 20 0 BDADRP C[C@H]1C[N@@H+](C2CCN(C)CC2)CCC[C@@H]1C[NH3+] ZINC001246569684 972823227 /nfs/dbraw/zinc/82/32/27/972823227.db2.gz RVCLFHKNEKGQDS-QWHCGFSZSA-N 3 0 239.407 1.387 20 0 BDADRP C[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2)CCC[C@@H]1C[NH3+] ZINC001246569693 972824607 /nfs/dbraw/zinc/82/46/07/972824607.db2.gz RXMVFMXUZAWVDG-MCIONIFRSA-N 2 0 239.407 1.387 20 0 BDADRP CC(C)([NH3+])CNc1ccc([C@@H]2CCC[NH2+]2)cn1 ZINC001171188253 972833834 /nfs/dbraw/zinc/83/38/34/972833834.db2.gz BZELJYBUSKKNHM-NSHDSACASA-N 2 0 234.347 1.655 20 0 BDADRP CC(C)([NH3+])CNc1cc(N)c(C(F)(F)F)c[nH+]1 ZINC001171188675 972834440 /nfs/dbraw/zinc/83/44/40/972834440.db2.gz OOXZDYYPOHDXBW-UHFFFAOYSA-N 2 0 248.252 1.832 20 0 BDADRP CCCC[C@@H]1C[C@H](N2CC[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC001246571012 972841386 /nfs/dbraw/zinc/84/13/86/972841386.db2.gz CKWIPXNYPGWQOV-BFHYXJOUSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC[NH2+]CC2)CCC[C@@H]1C[NH3+] ZINC001246570765 972844160 /nfs/dbraw/zinc/84/41/60/972844160.db2.gz VJOFQHFFTRSHNG-VXGBXAGGSA-N 3 0 225.380 1.045 20 0 BDADRP CC(C)([NH3+])CNc1cc[nH+]cc1C(F)(F)F ZINC001171195528 972850146 /nfs/dbraw/zinc/85/01/46/972850146.db2.gz KWAAADIFMGVDQU-UHFFFAOYSA-N 2 0 233.237 1.672 20 0 BDADRP C[NH+](C)/C=C/c1ccncc1NCC(C)(C)[NH3+] ZINC001171195501 972851739 /nfs/dbraw/zinc/85/17/39/972851739.db2.gz WIIQXGDDTYDPQE-SOFGYWHQSA-N 2 0 234.347 1.763 20 0 BDADRP CC[C@H](C)C[C@H](CC)[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246579876 972919146 /nfs/dbraw/zinc/91/91/46/972919146.db2.gz HMMUSGYRGBYLFM-ZDEQEGDKSA-N 2 0 228.380 1.453 20 0 BDADRP C[C@@H]1C[C@@H](N2CCCC[C@H](C[NH3+])C2)CC[NH2+]1 ZINC001246580430 972930346 /nfs/dbraw/zinc/93/03/46/972930346.db2.gz GNZKRAHJJXCWBR-UPJWGTAASA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@H]1CC[C@H](N2CCCC[C@@](F)(C[NH3+])C2)C[NH2+]1 ZINC001246584537 972959870 /nfs/dbraw/zinc/95/98/70/972959870.db2.gz XIBBUNOHRGKGEE-FRRDWIJNSA-N 2 0 243.370 1.280 20 0 BDADRP C[C@@]1(C[NH3+])CCCC[N@@H+]([C@H]2CCSC2)C1 ZINC001246588008 972984232 /nfs/dbraw/zinc/98/42/32/972984232.db2.gz XLPXRXKDLLQNIL-RYUDHWBXSA-N 2 0 228.405 1.943 20 0 BDADRP C[C@H]1C[C@@H](N2CCCC[C@H](C[NH3+])C2)CC[NH2+]1 ZINC001246589917 972988234 /nfs/dbraw/zinc/98/82/34/972988234.db2.gz GNZKRAHJJXCWBR-XQQFMLRXSA-N 2 0 225.380 1.188 20 0 BDADRP [NH3+]C[C@H]1CCCCN([C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246592584 973000731 /nfs/dbraw/zinc/00/07/31/973000731.db2.gz KOEIVQJJRLZAJY-YIYPIFLZSA-N 2 0 237.391 1.330 20 0 BDADRP CC[C@@H]1C[C@H](N2CC(C[NH2+]C)C2)C[C@H](CC)[NH2+]1 ZINC001246594873 973005348 /nfs/dbraw/zinc/00/53/48/973005348.db2.gz FMBBIEIERLNMNG-WDNDVIMCSA-N 2 0 239.407 1.447 20 0 BDADRP C[NH2+]CC[C@H](C)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001246604481 973027541 /nfs/dbraw/zinc/02/75/41/973027541.db2.gz TZMXRBQVLAYHLJ-ZFWWWQNUSA-N 2 0 247.386 1.631 20 0 BDADRP C1[NH2+]CC12CN(C1CCC3(CC[NH2+]CC3)CC1)C2 ZINC001246615314 973038359 /nfs/dbraw/zinc/03/83/59/973038359.db2.gz SCRKONNMULHEOO-UHFFFAOYSA-N 2 0 249.402 1.204 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[NH+](C(C)(C)C)CC1 ZINC000042463205 973051163 /nfs/dbraw/zinc/05/11/63/973051163.db2.gz ZDYCWARPQILZEW-ZDUSSCGKSA-N 2 0 241.423 1.776 20 0 BDADRP [NH3+][C@@]12CCC[C@@H]1CN([C@@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)C2 ZINC001246661853 973075609 /nfs/dbraw/zinc/07/56/09/973075609.db2.gz HAMCSUBNZRACDO-UXXRCYHCSA-N 2 0 249.402 1.473 20 0 BDADRP [NH3+][C@@]12C[C@@H]1CCN([C@@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)C2 ZINC001246660524 973077688 /nfs/dbraw/zinc/07/76/88/973077688.db2.gz SZTMHFYWVXYQOJ-PDWCTOEPSA-N 2 0 235.375 1.083 20 0 BDADRP C1C[C@]2(C[NH2+]1)CCC[C@@H](N1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246672397 973082198 /nfs/dbraw/zinc/08/21/98/973082198.db2.gz DVNDWGRJIILQPT-LXTVHRRPSA-N 2 0 249.402 1.345 20 0 BDADRP C[C@H]1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)C[NH2+]1 ZINC001246769992 973089305 /nfs/dbraw/zinc/08/93/05/973089305.db2.gz MCQSAYOBCKQKOL-HHHUOAJASA-N 2 0 212.312 1.559 20 0 BDADRP C1[NH2+]CC12C[C@@H]([N@H+]1C[C@@H]3CCC[C@@H](C3)C1)CCN2 ZINC001246833673 973129171 /nfs/dbraw/zinc/12/91/71/973129171.db2.gz PKHVNOFIWYOMPX-MJBXVCDLSA-N 2 0 249.402 1.202 20 0 BDADRP CO[C@@H]1CCC[C@H]([N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)C1 ZINC001246854868 973168898 /nfs/dbraw/zinc/16/88/98/973168898.db2.gz REOXLGWWSJJIJP-RVMXOQNASA-N 2 0 224.348 1.367 20 0 BDADRP [NH3+][C@]12CC[C@@H]1C[N@@H+](C1CCC(F)(F)CC1)C2 ZINC001246862856 973177822 /nfs/dbraw/zinc/17/78/22/973177822.db2.gz SAZOWGWQQWLPOH-KOLCDFICSA-N 2 0 230.302 1.987 20 0 BDADRP [NH3+][C@@]12CC[C@@H]1C[N@@H+](C1CCSCC1)C2 ZINC001246865293 973208306 /nfs/dbraw/zinc/20/83/06/973208306.db2.gz ZFUQINYPPRRZGC-MWLCHTKSSA-N 2 0 212.362 1.305 20 0 BDADRP C[C@@H]1C[C@@H]([NH+]2CCC(n3cccn3)CC2)CC[NH2+]1 ZINC001246866220 973217043 /nfs/dbraw/zinc/21/70/43/973217043.db2.gz ISFKUCPRTHXRGS-OCCSQVGLSA-N 2 0 248.374 1.661 20 0 BDADRP CCN(CC[NH3+])[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246888378 973322521 /nfs/dbraw/zinc/32/25/21/973322521.db2.gz AIXKRONVOAVUJT-LSDHHAIUSA-N 2 0 247.386 1.760 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCc3ccc(N)cc3C2)CC[NH2+]1 ZINC001246905445 973383934 /nfs/dbraw/zinc/38/39/34/973383934.db2.gz MJJXOBFVMVQHFO-IAQYHMDHSA-N 2 0 245.370 1.767 20 0 BDADRP C[NH2+][C@H]1CCN1[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246904892 973384888 /nfs/dbraw/zinc/38/48/88/973384888.db2.gz YSVAFYMHWXHCFG-QWHCGFSZSA-N 2 0 237.391 1.693 20 0 BDADRP CC[C@@H]([NH3+])C[N@@H+]1C[C@@H]2CNc3ccccc3[C@H]2C1 ZINC001224119984 973455746 /nfs/dbraw/zinc/45/57/46/973455746.db2.gz WDEPRIADUISTSD-SCRDCRAPSA-N 2 0 245.370 1.865 20 0 BDADRP C1[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246916450 973468002 /nfs/dbraw/zinc/46/80/02/973468002.db2.gz HNQJODAAHPDBRO-MJBXVCDLSA-N 2 0 249.402 1.345 20 0 BDADRP C[C@H]1C[C@@H](N2CCC[C@H]([NH2+]C3CC3)C2)CC[NH2+]1 ZINC001246918745 973474306 /nfs/dbraw/zinc/47/43/06/973474306.db2.gz LYFMEJHEUKEGMS-UBHSHLNASA-N 2 0 237.391 1.343 20 0 BDADRP C1CC1[NH2+][C@H]1CCCN([C@@H]2CCC[NH2+]CC2)C1 ZINC001246924237 973553014 /nfs/dbraw/zinc/55/30/14/973553014.db2.gz ZVNJELAXOGCZSK-UONOGXRCSA-N 2 0 237.391 1.345 20 0 BDADRP CC[C@H](N)C[N@H+](C)[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246973194 973711758 /nfs/dbraw/zinc/71/17/58/973711758.db2.gz IFFGHHZYOVEZFY-IHRRRGAJSA-N 2 0 239.407 1.578 20 0 BDADRP CC[C@@H](C)OCC[C@@H](C)[N@H+](C)C[C@H](C)[NH3+] ZINC001246981806 973752359 /nfs/dbraw/zinc/75/23/59/973752359.db2.gz SCOGNXVJJKQFLV-QJPTWQEYSA-N 2 0 216.369 1.859 20 0 BDADRP CO[C@@H]1C[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)CC[C@@H]1C ZINC000234843714 973775284 /nfs/dbraw/zinc/77/52/84/973775284.db2.gz FIPIVYQXKZEJCS-QNWHQSFQSA-N 2 0 226.364 1.199 20 0 BDADRP C[C@@H]1C[C@@H](N2CC[NH2+]C3=CCCC[C@@H]32)C[NH2+]1 ZINC001246998480 973797408 /nfs/dbraw/zinc/79/74/08/973797408.db2.gz XISMPGUUIJICDB-WZRBSPASSA-N 2 0 221.348 1.078 20 0 BDADRP C[N@@H+]1CC[C@H](OC[C@H]2CCCC[NH+]2C)C1 ZINC001224704449 973871576 /nfs/dbraw/zinc/87/15/76/973871576.db2.gz YXEVTHAJHSAGNP-NEPJUHHUSA-N 2 0 212.337 1.191 20 0 BDADRP [NH3+]CCCCNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC001329923970 974025501 /nfs/dbraw/zinc/02/55/01/974025501.db2.gz NGQMSDKTCDHZSH-ZDUSSCGKSA-N 2 0 247.342 1.076 20 0 BDADRP N[C@@H]1C[C@H]1[NH2+][C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171462356 974078370 /nfs/dbraw/zinc/07/83/70/974078370.db2.gz GWZGIEBGNUZYRT-ZWKOPEQDSA-N 2 0 238.281 1.511 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+][C@@H]1Cc2cccc(F)c2C1 ZINC001171790368 974181484 /nfs/dbraw/zinc/18/14/84/974181484.db2.gz JTGXQNLLVQTYGS-DDTOSNHZSA-N 2 0 234.318 1.762 20 0 BDADRP Cn1cccc1CN1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206156898 974331473 /nfs/dbraw/zinc/33/14/73/974331473.db2.gz UBCRXLLWBYSJSK-RYUDHWBXSA-N 2 0 225.311 1.286 20 0 BDADRP Cn1cncc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172099460 974340235 /nfs/dbraw/zinc/34/02/35/974340235.db2.gz IAKYWOJILNKNLX-XYYAHUGASA-N 2 0 248.374 1.525 20 0 BDADRP C[NH+](C)CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172099474 974341059 /nfs/dbraw/zinc/34/10/59/974341059.db2.gz IGCUJBNSOKVXGQ-XYYAHUGASA-N 2 0 225.380 1.153 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[C@H]([NH3+])C1)C2 ZINC001172103763 974364160 /nfs/dbraw/zinc/36/41/60/974364160.db2.gz XMLPJIYEGNAGHA-WUHRBBMRSA-N 2 0 223.364 1.035 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC[C@@H]([NH3+])C1)C2 ZINC001172107942 974367926 /nfs/dbraw/zinc/36/79/26/974367926.db2.gz LZODCYMUYVRLNO-YIYPIFLZSA-N 2 0 237.391 1.425 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@H]1CCO1)C2 ZINC001172108178 974368625 /nfs/dbraw/zinc/36/86/25/974368625.db2.gz QZVKSYPGBUIWRZ-YVECIDJPSA-N 2 0 224.348 1.380 20 0 BDADRP CCC1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)COC1 ZINC001172108172 974368685 /nfs/dbraw/zinc/36/86/85/974368685.db2.gz QVNDUHKMWPJDRG-XYYAHUGASA-N 2 0 238.375 1.770 20 0 BDADRP CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1C[C@@](C)(O)C1)C2 ZINC001172108828 974375160 /nfs/dbraw/zinc/37/51/60/974375160.db2.gz ZVQGZVJQMBKEEN-WZNRFSEPSA-N 2 0 238.375 1.505 20 0 BDADRP C[N@H+](C1CCC([NH3+])CC1)C1C[C@H]2CC[C@@H](C1)O2 ZINC001172218700 974445594 /nfs/dbraw/zinc/44/55/94/974445594.db2.gz BQCYQANVBSNFTG-ZRRUAHMRSA-N 2 0 238.375 1.898 20 0 BDADRP CCC[N@H+](CCC[NH3+])C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172232677 974473148 /nfs/dbraw/zinc/47/31/48/974473148.db2.gz KRSBBZNMKNSPNB-YHWZYXNKSA-N 2 0 224.348 1.533 20 0 BDADRP [NH3+]CCCCCCC[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172233527 974476608 /nfs/dbraw/zinc/47/66/08/974476608.db2.gz ARRMIQNBDYEZHW-AGUYFDCRSA-N 2 0 238.375 1.971 20 0 BDADRP C[NH+](C)CCC(C)(C)[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172234087 974476780 /nfs/dbraw/zinc/47/67/80/974476780.db2.gz VKVHEFZJVFIQBD-YHWZYXNKSA-N 2 0 238.375 1.792 20 0 BDADRP Cn1cncc1C[NH2+]C1CCC(C[NH3+])CC1 ZINC001330798221 974478264 /nfs/dbraw/zinc/47/82/64/974478264.db2.gz ZXZYMKKTIWGRQF-UHFFFAOYSA-N 2 0 222.336 1.027 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@H]1CSc2ccccc2C1 ZINC001172199449 974482496 /nfs/dbraw/zinc/48/24/96/974482496.db2.gz FHLFOHIOWHBILN-CMPLNLGQSA-N 2 0 236.384 1.888 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+](C1C[C@@H]3C=C[C@H](C1)O3)CC2 ZINC001172242895 974508602 /nfs/dbraw/zinc/50/86/02/974508602.db2.gz DVHMRONAUPTULB-AGUYFDCRSA-N 2 0 248.370 1.500 20 0 BDADRP CC[NH+]1C[C@H]2C[NH+](C3C[C@@H]4C=C[C@H](C3)O4)C[C@@H]2C1 ZINC001172242745 974509353 /nfs/dbraw/zinc/50/93/53/974509353.db2.gz GSZAVRJOFCOPTA-UUQIVFDPSA-N 2 0 248.370 1.356 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CCOCC[NH3+])C[C@H]1C ZINC001172359028 974629155 /nfs/dbraw/zinc/62/91/55/974629155.db2.gz KWHGLKQQQKUFHM-IJLUTSLNSA-N 2 0 214.353 1.376 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CCC[N@H+](C)CCO)C[C@H]1C ZINC001172365440 974642864 /nfs/dbraw/zinc/64/28/64/974642864.db2.gz BPQZXKJSYXUTJI-MGPQQGTHSA-N 2 0 242.407 1.715 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+]C[C@@H]1CCSC1 ZINC001331419973 974713240 /nfs/dbraw/zinc/71/32/40/974713240.db2.gz SUSNKQMPEKDSMN-ZJUUUORDSA-N 2 0 202.367 1.327 20 0 BDADRP CC[C@@H](CC(C)C)NC(=[NH2+])NCCCC[NH3+] ZINC001172389319 974737979 /nfs/dbraw/zinc/73/79/79/974737979.db2.gz NIJSUSVGNYIGHU-NSHDSACASA-N 2 0 228.384 1.664 20 0 BDADRP CC[C@H](CC(C)C)[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC001172389672 974738117 /nfs/dbraw/zinc/73/81/17/974738117.db2.gz PSHQNAFSUBBKEL-NEPJUHHUSA-N 2 0 214.353 1.471 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+]CC1=Cc2ccccc2OC1 ZINC001331761473 974816860 /nfs/dbraw/zinc/81/68/60/974816860.db2.gz GHORXSVKTHPVLI-GFCCVEGCSA-N 2 0 246.354 1.908 20 0 BDADRP CC(C)COCC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C)C1 ZINC001172457516 974821232 /nfs/dbraw/zinc/82/12/32/974821232.db2.gz PRNJHWHIUASIQL-KBPBESRZSA-N 2 0 242.407 1.979 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+]CC1(OC)CCCC1 ZINC001331847599 974837028 /nfs/dbraw/zinc/83/70/28/974837028.db2.gz OGXJHBKIMULNDP-LLVKDONJSA-N 2 0 214.353 1.533 20 0 BDADRP CC[NH+](CC)C[C@H](C)Oc1cc[nH+]c(N)c1 ZINC001226657843 975006968 /nfs/dbraw/zinc/00/69/68/975006968.db2.gz SBGQIEBAHVYRLZ-JTQLQIEISA-N 2 0 223.320 1.773 20 0 BDADRP CCC[NH2+]CC[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC001332402823 975095397 /nfs/dbraw/zinc/09/53/97/975095397.db2.gz SPRGRCNCXHKQBE-HZSPNIEDSA-N 2 0 240.391 1.781 20 0 BDADRP C[NH+]1CCC(CC[NH2+][C@@H]2CC[NH2+]C2(C)C)CC1 ZINC001332400047 975096136 /nfs/dbraw/zinc/09/61/36/975096136.db2.gz HKYZSUQESDVBJF-CYBMUJFWSA-N 3 0 239.407 1.448 20 0 BDADRP [NH3+]C[C@@H](O)C[NH2+][C@H]1CCCC2(CCCCC2)C1 ZINC001173339311 975286222 /nfs/dbraw/zinc/28/62/22/975286222.db2.gz NMPDYTOHPPLPFH-QWHCGFSZSA-N 2 0 240.391 1.789 20 0 BDADRP C[C@@H]([NH3+])CN1C[C@@H](CC[NH3+])Cc2ccccc21 ZINC001332816408 975286941 /nfs/dbraw/zinc/28/69/41/975286941.db2.gz SVEWHIQDWIGZKZ-NEPJUHHUSA-N 2 0 233.359 1.361 20 0 BDADRP CCCC[N@H+](C)CCCN[C@H]1CC[NH+](CC)C1 ZINC001173350542 975296871 /nfs/dbraw/zinc/29/68/71/975296871.db2.gz PQNZZMDDIFTUPX-AWEZNQCLSA-N 2 0 241.423 1.792 20 0 BDADRP CCN1CC[C@@H]([NH2+]C2CCC(CC[NH3+])CC2)C1 ZINC001173354336 975310708 /nfs/dbraw/zinc/31/07/08/975310708.db2.gz ZMHFTFWTPKFDKN-JXQTWKCFSA-N 2 0 239.407 1.578 20 0 BDADRP CC[N@@H+]1CC[C@@H](N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001173365468 975345526 /nfs/dbraw/zinc/34/55/26/975345526.db2.gz ISCPINRJQWWBIP-CYBMUJFWSA-N 2 0 239.407 1.497 20 0 BDADRP CCN(CCC[NH+](C)C)[C@H]1CC[N@H+](CC)C1 ZINC001173368728 975352766 /nfs/dbraw/zinc/35/27/66/975352766.db2.gz RAUYCVWWAQREBQ-ZDUSSCGKSA-N 2 0 227.396 1.354 20 0 BDADRP CC[N@@H+]1CC[C@@H](N2CC[NH+](CC)[C@H](C)C2)C1 ZINC001173367146 975353469 /nfs/dbraw/zinc/35/34/69/975353469.db2.gz GCHBVTGWINRKIO-CHWSQXEVSA-N 2 0 225.380 1.107 20 0 BDADRP COC(=O)CCCC[C@H](C)[NH2+]CCCC[NH3+] ZINC001173437777 975374475 /nfs/dbraw/zinc/37/44/75/975374475.db2.gz QCRFWLGLCQXOLL-NSHDSACASA-N 2 0 230.352 1.437 20 0 BDADRP CC[N@@H+]1CCC[C@@H](CNC(=[NH2+])NC2CCC2)C1 ZINC001333040150 975383513 /nfs/dbraw/zinc/38/35/13/975383513.db2.gz KDVMSSSERKTRTB-NSHDSACASA-N 2 0 238.379 1.385 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@H]1CCC[C@H](F)C1 ZINC001333595496 975878100 /nfs/dbraw/zinc/87/81/00/975878100.db2.gz GGXJZNBQBXIPEN-DCAQKATOSA-N 2 0 214.328 1.997 20 0 BDADRP CC[N@@H+]1CCC[C@@H](CNc2cc[nH+]cc2CO)C1 ZINC001333645281 975921703 /nfs/dbraw/zinc/92/17/03/975921703.db2.gz DSHWCLPJLMPSPF-LBPRGKRZSA-N 2 0 249.358 1.140 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+]C2CCSCC2)C1 ZINC000259503935 976382282 /nfs/dbraw/zinc/38/22/82/976382282.db2.gz PMBCCSGXTRWMHQ-VHSXEESVSA-N 2 0 214.378 1.599 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001335251061 976899927 /nfs/dbraw/zinc/89/99/27/976899927.db2.gz HREIYWDNYLFQCZ-IJLUTSLNSA-N 2 0 226.364 1.519 20 0 BDADRP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC001335288892 976926991 /nfs/dbraw/zinc/92/69/91/976926991.db2.gz JJSNBIUMPPIXPM-BXKDBHETSA-N 2 0 236.363 1.443 20 0 BDADRP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC001335288895 976927414 /nfs/dbraw/zinc/92/74/14/976927414.db2.gz JJSNBIUMPPIXPM-SKDRFNHKSA-N 2 0 236.363 1.443 20 0 BDADRP CSC[C@H](O)C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC001335433202 977057538 /nfs/dbraw/zinc/05/75/38/977057538.db2.gz RWNLROOTPBGSLK-VXGBXAGGSA-N 2 0 246.420 1.032 20 0 BDADRP C[NH+](C)CCC[C@@H]1CN(c2cc[nH+]cc2)CCO1 ZINC001336413779 977668155 /nfs/dbraw/zinc/66/81/55/977668155.db2.gz QNGCSTNCJPRUQT-CQSZACIVSA-N 2 0 249.358 1.629 20 0 BDADRP OCC[N@@H+]1CCC[C@H]2[C@@H]1CCN2c1cc[nH+]cc1 ZINC001336423994 977676933 /nfs/dbraw/zinc/67/69/33/977676933.db2.gz QYXGTMKZXWTNRQ-KBPBESRZSA-N 2 0 247.342 1.117 20 0 BDADRP O[C@H]1CCC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232012241 977837645 /nfs/dbraw/zinc/83/76/45/977837645.db2.gz WOOLQQKTBCZPKB-LBPRGKRZSA-N 2 0 231.299 1.520 20 0 BDADRP CC(C)OCC[NH+]1CCC2(CC[N@H+](C)C2)CC1 ZINC001277658813 978048001 /nfs/dbraw/zinc/04/80/01/978048001.db2.gz WVEBJGLOOQPDAK-UHFFFAOYSA-N 2 0 240.391 1.829 20 0 BDADRP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2c1cc[nH+]cc1 ZINC001277693029 978203233 /nfs/dbraw/zinc/20/32/33/978203233.db2.gz CGKBOHNAYGZDCS-VGPLMAKISA-N 2 0 217.316 1.801 20 0 BDADRP C[N@@H+]1C[C@H]2C[C@@H](C1)N(c1cc[nH+]cc1)C2 ZINC001277693764 978204868 /nfs/dbraw/zinc/20/48/68/978204868.db2.gz LGQSCLILUKABKO-PWSUYJOCSA-N 2 0 203.289 1.222 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](C[C@H]2CCCOC2)C1 ZINC000690455923 978286712 /nfs/dbraw/zinc/28/67/12/978286712.db2.gz YILJHWZIRSRSHU-NWDGAFQWSA-N 2 0 212.337 1.084 20 0 BDADRP CC[N@@H+]1CC[C@H](NCCC[NH+]2CCCCC2)C1 ZINC000328456597 978352411 /nfs/dbraw/zinc/35/24/11/978352411.db2.gz FMOBDDWADZGDLS-AWEZNQCLSA-N 2 0 239.407 1.546 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2cnoc2)CC1 ZINC001206305442 978388060 /nfs/dbraw/zinc/38/80/60/978388060.db2.gz ZLIWGCOEPHOTNL-LBPRGKRZSA-N 2 0 223.320 1.626 20 0 BDADRP CS[C@H]1CN(c2cc[nH+]cc2)C[C@@H]1[NH+](C)C ZINC001337710352 978470044 /nfs/dbraw/zinc/47/00/44/978470044.db2.gz WYRHURLAWYSPJA-RYUDHWBXSA-N 2 0 237.372 1.563 20 0 BDADRP CC[C@@H](CNc1cc(C)[nH+]c(N)n1)[NH+]1CCCC1 ZINC001338338849 978659921 /nfs/dbraw/zinc/65/99/21/978659921.db2.gz LPZWPPPTTOVOBT-NSHDSACASA-N 2 0 249.362 1.654 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)CCO1 ZINC000069890419 978785208 /nfs/dbraw/zinc/78/52/08/978785208.db2.gz NOVIOXLJPNQALI-RWMBFGLXSA-N 2 0 226.364 1.485 20 0 BDADRP C[NH+]1CCC(CCN2C[C@H]([NH3+])C[C@H](F)C2)CC1 ZINC001206405122 978800390 /nfs/dbraw/zinc/80/03/90/978800390.db2.gz OSPPZQXKUZKIGC-QWHCGFSZSA-N 2 0 243.370 1.089 20 0 BDADRP CCC[NH2+]CC[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001339223716 978820427 /nfs/dbraw/zinc/82/04/27/978820427.db2.gz LPSREINZOVIVFL-YHWZYXNKSA-N 3 0 225.380 1.106 20 0 BDADRP [NH3+]Cc1ccc(CN2C[C@H](F)C[C@H]([NH3+])C2)cc1 ZINC001206425546 978928384 /nfs/dbraw/zinc/92/83/84/978928384.db2.gz WNGMYHWIROSQOR-OLZOCXBDSA-N 2 0 237.322 1.016 20 0 BDADRP CC[NH+]1CCC(CN2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001235038875 978959611 /nfs/dbraw/zinc/95/96/11/978959611.db2.gz REFDSEZFHBRBRE-UONOGXRCSA-N 2 0 237.391 1.155 20 0 BDADRP OCCCC[N@@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235151637 978982447 /nfs/dbraw/zinc/98/24/47/978982447.db2.gz IRULNPOCHSCDCR-AWEZNQCLSA-N 2 0 240.391 1.613 20 0 BDADRP CC[C@H]([NH3+])CN1CCC2(CC[NH2+]CC2)CC1 ZINC001235136501 978982877 /nfs/dbraw/zinc/98/28/77/978982877.db2.gz ZGECKNGKJRQCGL-LBPRGKRZSA-N 3 0 225.380 1.189 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235153222 978984826 /nfs/dbraw/zinc/98/48/26/978984826.db2.gz QWSXDBBBIVBRTQ-AWEZNQCLSA-N 3 0 239.407 1.450 20 0 BDADRP [NH3+][C@@]12C[C@@H]1CC[N@H+](CC1Cc3ccccc3C1)C2 ZINC001235166850 978988271 /nfs/dbraw/zinc/98/82/71/978988271.db2.gz WEUXXMHFSVKPRS-JKSUJKDBSA-N 2 0 242.366 1.825 20 0 BDADRP C(C1CC2(C1)CC[NH2+]CC2)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235183542 978993018 /nfs/dbraw/zinc/99/30/18/978993018.db2.gz IUOMJYCHRVZGOT-UONOGXRCSA-N 2 0 249.402 1.060 20 0 BDADRP CC1(CN2C[C@H]3CCC[NH2+][C@H]3C2)CC[NH2+]CC1 ZINC001235209309 978997158 /nfs/dbraw/zinc/99/71/58/978997158.db2.gz MHEWRNHGCDWXJH-OLZOCXBDSA-N 2 0 237.391 1.060 20 0 BDADRP [NH3+][C@H](CN1CCC[C@H]2[NH2+]C[C@H]21)c1ccccc1 ZINC001235296374 979021222 /nfs/dbraw/zinc/02/12/22/979021222.db2.gz WTNCQFZMKYAECD-MGPQQGTHSA-N 2 0 231.343 1.123 20 0 BDADRP CN(C[C@@H]([NH3+])c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001235343648 979031978 /nfs/dbraw/zinc/03/19/78/979031978.db2.gz WHMCUIAFJLFLEK-ZIAGYGMSSA-N 2 0 233.359 1.370 20 0 BDADRP CN1CC[N@H+](CCCC[NH3+])C[C@@H]1c1ccccc1 ZINC001235675367 979112211 /nfs/dbraw/zinc/11/22/11/979112211.db2.gz WTGLGOKGAZTSSA-OAHLLOKOSA-N 2 0 247.386 1.714 20 0 BDADRP CC(C)[NH+]1CCC(C[N@@H+](C)C[C@@H](C)N)CC1 ZINC001235676539 979117325 /nfs/dbraw/zinc/11/73/25/979117325.db2.gz SJXGUHNOTIVGGL-GFCCVEGCSA-N 2 0 227.396 1.386 20 0 BDADRP [NH3+]CCCCN1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001235679931 979120917 /nfs/dbraw/zinc/12/09/17/979120917.db2.gz SGJNBTXINUXCHS-CQSZACIVSA-N 2 0 239.407 1.676 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC001235695449 979123082 /nfs/dbraw/zinc/12/30/82/979123082.db2.gz UEZXIHLIXDSEBE-CYBMUJFWSA-N 2 0 219.332 1.957 20 0 BDADRP CC[C@H]1CN(CC[C@@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001235724601 979136188 /nfs/dbraw/zinc/13/61/88/979136188.db2.gz RDOUYZJOOUKCBQ-STQMWFEESA-N 2 0 225.380 1.202 20 0 BDADRP CC[C@@H]1CNCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001235768295 979142875 /nfs/dbraw/zinc/14/28/75/979142875.db2.gz FNGPUUVEVCPTGR-CHWSQXEVSA-N 2 0 225.380 1.060 20 0 BDADRP CC1(C)C[NH2+]CCN1CC[C@H]1CCCC[NH2+]1 ZINC001235823038 979158889 /nfs/dbraw/zinc/15/88/89/979158889.db2.gz SOOJVOHNTNNPKI-GFCCVEGCSA-N 2 0 225.380 1.202 20 0 BDADRP CC1(C)CN(C[C@H]([NH3+])Cc2ccccc2)CC[NH2+]1 ZINC001235832852 979161942 /nfs/dbraw/zinc/16/19/42/979161942.db2.gz ICQQZOPRGBEXBO-CQSZACIVSA-N 2 0 247.386 1.240 20 0 BDADRP CC1(C)C[NH2+]CCN1Cc1cccc(C[NH3+])c1 ZINC001235827526 979164510 /nfs/dbraw/zinc/16/45/10/979164510.db2.gz OWFNXBWSFNUEEL-UHFFFAOYSA-N 2 0 233.359 1.329 20 0 BDADRP CC[NH2+]CCN1CC[NH2+]C[C@H]1Cc1ccccc1 ZINC001235847239 979168985 /nfs/dbraw/zinc/16/89/85/979168985.db2.gz FQXULYXNKPIDDH-OAHLLOKOSA-N 2 0 247.386 1.112 20 0 BDADRP C[NH2+]CCCN1CC[NH2+]C[C@H]1Cc1ccccc1 ZINC001235848007 979170317 /nfs/dbraw/zinc/17/03/17/979170317.db2.gz PPKMPVCNDMBEIM-OAHLLOKOSA-N 2 0 247.386 1.112 20 0 BDADRP [NH3+]Cc1ccccc1C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC001340945541 979171528 /nfs/dbraw/zinc/17/15/28/979171528.db2.gz SGXYWPLWRFVABE-CMPLNLGQSA-N 2 0 247.342 1.003 20 0 BDADRP C[C@@H](CCN(CC[NH3+])CC[NH3+])CC(C)(C)C ZINC001235877295 979176856 /nfs/dbraw/zinc/17/68/56/979176856.db2.gz OCBDNHVLIFWVCQ-LBPRGKRZSA-N 2 0 229.412 1.668 20 0 BDADRP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001235891222 979182626 /nfs/dbraw/zinc/18/26/26/979182626.db2.gz DJUYLAJKQIFKCX-AGIUHOORSA-N 3 0 225.380 1.188 20 0 BDADRP CC1(C)C[NH2+][C@H]1C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001340994446 979184673 /nfs/dbraw/zinc/18/46/73/979184673.db2.gz JNDBWDLJHOZEHM-LBPRGKRZSA-N 2 0 245.326 1.226 20 0 BDADRP CC1(C)C[NH2+][C@@H]1C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001340994445 979185423 /nfs/dbraw/zinc/18/54/23/979185423.db2.gz JNDBWDLJHOZEHM-GFCCVEGCSA-N 2 0 245.326 1.226 20 0 BDADRP CC(C)N(CC[NH3+])C[C@@H]([NH3+])c1ccccc1 ZINC001235948888 979217676 /nfs/dbraw/zinc/21/76/76/979217676.db2.gz VTCYDGFTLNNTON-CYBMUJFWSA-N 2 0 221.348 1.356 20 0 BDADRP CC[N@H+](CCCC[NH3+])CC(=O)OC(C)(C)C ZINC001235947533 979219130 /nfs/dbraw/zinc/21/91/30/979219130.db2.gz DVHYGTSTBOUJCU-UHFFFAOYSA-N 2 0 230.352 1.389 20 0 BDADRP [NH3+][C@H](CN1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+])c1ccccc1 ZINC001235958228 979226147 /nfs/dbraw/zinc/22/61/47/979226147.db2.gz ARRGINWCZQPMNW-LXTVHRRPSA-N 2 0 245.370 1.356 20 0 BDADRP [NH3+][C@]12CC[C@H]1C[N@H+](C[C@H]1CC=CCC1)C2 ZINC001235981109 979260634 /nfs/dbraw/zinc/26/06/34/979260634.db2.gz UNNJOCKWFFSBOW-AVGNSLFASA-N 2 0 206.333 1.766 20 0 BDADRP C[C@H]1C[C@H]([NH3+])CN(Cc2ccc(C[NH3+])cc2)C1 ZINC001236052143 979341180 /nfs/dbraw/zinc/34/11/80/979341180.db2.gz ZXTWGZQRGUKMBM-FZMZJTMJSA-N 2 0 233.359 1.314 20 0 BDADRP [NH3+][C@H](CN1C[C@H]2CC[C@@H](C1)[NH2+]C2)c1ccccc1 ZINC001236061143 979353506 /nfs/dbraw/zinc/35/35/06/979353506.db2.gz VSKSXNAQXKQQHX-AEGPPILISA-N 2 0 245.370 1.370 20 0 BDADRP [NH3+]Cc1ccc(CN(C2CC2)C2C[NH2+]C2)cc1 ZINC001236064955 979358445 /nfs/dbraw/zinc/35/84/45/979358445.db2.gz WHJDYHRHHNTUEN-UHFFFAOYSA-N 2 0 231.343 1.082 20 0 BDADRP C[C@H]1CN(CC[C@@H]2CCCC[NH2+]2)CCC[NH2+]1 ZINC001236097407 979362492 /nfs/dbraw/zinc/36/24/92/979362492.db2.gz JSSUPRWVBYSEIG-STQMWFEESA-N 2 0 225.380 1.202 20 0 BDADRP C[C@@H]1CN(Cc2ccc3c(c2)NCCC3)C[C@@H]1[NH3+] ZINC001236094483 979385436 /nfs/dbraw/zinc/38/54/36/979385436.db2.gz XYIPGBMACKCFEX-RISCZKNCSA-N 2 0 245.370 1.824 20 0 BDADRP c1csc([C@@H]2C[NH2+]CCN2C[C@@H]2CC[NH2+]2)c1 ZINC001236114989 979392242 /nfs/dbraw/zinc/39/22/42/979392242.db2.gz PTCYFASRDWBWQH-QWRGUYRKSA-N 2 0 237.372 1.056 20 0 BDADRP CN(CC[C@H]1CCCC[NH2+]1)C[C@@H]1CCC[NH2+]1 ZINC001236118634 979399423 /nfs/dbraw/zinc/39/94/23/979399423.db2.gz XZIMOLHVOKRROZ-OLZOCXBDSA-N 2 0 225.380 1.202 20 0 BDADRP CCCC[C@H]1CN(C[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001236134335 979400722 /nfs/dbraw/zinc/40/07/22/979400722.db2.gz ANSXMSYTPFCSNH-KBPBESRZSA-N 2 0 239.407 1.450 20 0 BDADRP CCN(CC[NH2+]C)CC1CC2(C1)CC[NH2+]CC2 ZINC001236144911 979416406 /nfs/dbraw/zinc/41/64/06/979416406.db2.gz UWDNFFBVZNPENY-UHFFFAOYSA-N 2 0 239.407 1.308 20 0 BDADRP CC(C)(C)C[N@H+](CCO)CCCCCC[NH3+] ZINC000689966400 979425953 /nfs/dbraw/zinc/42/59/53/979425953.db2.gz KQHJCIOSKAXSQE-UHFFFAOYSA-N 2 0 230.396 1.846 20 0 BDADRP CC(C)([NH3+])c1ccc(NC(=O)C2([NH3+])CCC2)cc1 ZINC001341483021 979432253 /nfs/dbraw/zinc/43/22/53/979432253.db2.gz MAALNWSSZPKMTM-UHFFFAOYSA-N 2 0 247.342 1.700 20 0 BDADRP CCC[C@H]1CN(Cc2ccc(C[NH3+])cc2)CC[NH2+]1 ZINC001236179260 979440380 /nfs/dbraw/zinc/44/03/80/979440380.db2.gz ZKFAIFWVNHKYGI-HNNXBMFYSA-N 2 0 247.386 1.719 20 0 BDADRP CN(CC[C@@H]1CCCC[NH2+]1)[C@]1(C)CCC[NH2+]C1 ZINC001236202264 979448639 /nfs/dbraw/zinc/44/86/39/979448639.db2.gz PLNHYWGCNATYNO-UONOGXRCSA-N 2 0 239.407 1.593 20 0 BDADRP CN(C[C@@H]1CCCC[NH2+]1)C1(C)CC[NH2+]CC1 ZINC001236222955 979455034 /nfs/dbraw/zinc/45/50/34/979455034.db2.gz KOLZKRLWYLXWEQ-LBPRGKRZSA-N 2 0 225.380 1.202 20 0 BDADRP [NH3+]C[C@H]1CCCN1CCC[NH2+]C1CCCCC1 ZINC001236242645 979462635 /nfs/dbraw/zinc/46/26/35/979462635.db2.gz DEXDWMLCSGDYKB-CQSZACIVSA-N 2 0 239.407 1.722 20 0 BDADRP [NH3+]Cc1cccc(CN2CCC[C@@H]2C[NH3+])c1 ZINC001236250689 979467595 /nfs/dbraw/zinc/46/75/95/979467595.db2.gz JUSCHQSWTYRKCV-CYBMUJFWSA-N 2 0 219.332 1.068 20 0 BDADRP CC[C@H]1C[N@H+](Cc2ccccc2)CCN1CC[NH3+] ZINC001236253397 979470041 /nfs/dbraw/zinc/47/00/41/979470041.db2.gz NCBBDSLKSXVEBW-HNNXBMFYSA-N 2 0 247.386 1.542 20 0 BDADRP [NH3+]Cc1ccccc1NC(=O)C[C@H]([NH3+])C1CC1 ZINC001341570777 979473332 /nfs/dbraw/zinc/47/33/32/979473332.db2.gz HCIAHZFNIQYUGZ-NSHDSACASA-N 2 0 233.315 1.211 20 0 BDADRP [NH3+]C[C@H]1CCCN1Cc1cccc2c[nH+]cn21 ZINC001236252130 979473241 /nfs/dbraw/zinc/47/32/41/979473241.db2.gz DXZMAYVJYRBXSG-LLVKDONJSA-N 2 0 230.315 1.257 20 0 BDADRP C(C[NH2+]C1CCCCC1)CN1C[C@@H]2C[NH2+][C@@H]2C1 ZINC001236280326 979481630 /nfs/dbraw/zinc/48/16/30/979481630.db2.gz CFPVOYXSCRBJNN-GXTWGEPZSA-N 2 0 237.391 1.202 20 0 BDADRP C[NH+](C)C(C)(C)CNC(=O)c1ccccc1C[NH3+] ZINC001341629088 979496981 /nfs/dbraw/zinc/49/69/81/979496981.db2.gz ATSVSIJXBRRNIJ-UHFFFAOYSA-N 2 0 249.358 1.215 20 0 BDADRP CC[C@H]([NH2+]C)C(=O)Nc1ccccc1C[NH3+] ZINC001341672092 979518395 /nfs/dbraw/zinc/51/83/95/979518395.db2.gz XWLWVGNGWCKYDV-JTQLQIEISA-N 2 0 221.304 1.082 20 0 BDADRP CC(C)[N@H+](C)CCNC(=O)c1ccccc1C[NH3+] ZINC001341683349 979520425 /nfs/dbraw/zinc/52/04/25/979520425.db2.gz GWKAIYPWDZMLCY-UHFFFAOYSA-N 2 0 249.358 1.215 20 0 BDADRP c1cnn(CCC[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236313939 979523038 /nfs/dbraw/zinc/52/30/38/979523038.db2.gz AQUORPAMAHWMHR-OKILXGFUSA-N 2 0 248.374 1.205 20 0 BDADRP CC[C@@H](C)C[C@H]([NH3+])C(=O)NC1(C)CC[NH2+]CC1 ZINC001341766309 979552073 /nfs/dbraw/zinc/55/20/73/979552073.db2.gz NOXHDGSLFHVKNN-MNOVXSKESA-N 2 0 241.379 1.008 20 0 BDADRP C[NH2+]CCN(C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236372709 979572380 /nfs/dbraw/zinc/57/23/80/979572380.db2.gz SZUIXBPUCRUDSF-ZDUSSCGKSA-N 2 0 239.407 1.450 20 0 BDADRP CC(C)C[C@@H]([NH3+])CC(=O)N[C@H](C[NH3+])C(C)(C)C ZINC001341847538 979574317 /nfs/dbraw/zinc/57/43/17/979574317.db2.gz MELNFYKRLHHZNV-GHMZBOCLSA-N 2 0 243.395 1.240 20 0 BDADRP C[C@@H]1[C@@H]([NH3+])CCCN1CC1(C)CC[NH2+]CC1 ZINC001236416328 979591750 /nfs/dbraw/zinc/59/17/50/979591750.db2.gz SUTBFJIHUSZERL-NEPJUHHUSA-N 2 0 225.380 1.188 20 0 BDADRP C[NH2+]C[C@H]1CCCN1CC1(C)CC[NH2+]CC1 ZINC001236421344 979592680 /nfs/dbraw/zinc/59/26/80/979592680.db2.gz UMBNOUWIRUAGMC-GFCCVEGCSA-N 2 0 225.380 1.060 20 0 BDADRP CC[NH2+]CCN(CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236549789 979633822 /nfs/dbraw/zinc/63/38/22/979633822.db2.gz CJFHUMJYQHBHHE-HDJSIYSDSA-N 2 0 241.423 1.824 20 0 BDADRP C[NH2+]CCC[N@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551401 979634003 /nfs/dbraw/zinc/63/40/03/979634003.db2.gz PYYWPJKZHFYMBN-HDJSIYSDSA-N 3 0 241.423 1.824 20 0 BDADRP CC(C)CN(C[C@@H]1CC[NH2+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236549753 979635314 /nfs/dbraw/zinc/63/53/14/979635314.db2.gz ATIJQSGEJDJDLN-IHRRRGAJSA-N 2 0 239.407 1.576 20 0 BDADRP C[C@@H]1CN(CC(C)(C)C[NH+](C)C)C[C@H](C)[NH2+]1 ZINC001236577017 979646734 /nfs/dbraw/zinc/64/67/34/979646734.db2.gz QTWSIPXRNDEOQQ-TXEJJXNPSA-N 2 0 227.396 1.256 20 0 BDADRP C([C@@H]1CCC[NH2+]1)N(C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236584485 979666049 /nfs/dbraw/zinc/66/60/49/979666049.db2.gz FRGBMIUSPJAPCK-OLZOCXBDSA-N 2 0 237.391 1.202 20 0 BDADRP [NH3+]CCN(Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236672323 979688744 /nfs/dbraw/zinc/68/87/44/979688744.db2.gz PVBZUSBWSOHFMM-MQMHXKEQSA-N 2 0 248.374 1.112 20 0 BDADRP CC(C)([NH3+])c1ccc(NC(=O)C2([NH3+])CC2)cc1 ZINC001342260406 979741280 /nfs/dbraw/zinc/74/12/80/979741280.db2.gz RQOJKPDVEBLCIW-UHFFFAOYSA-N 2 0 233.315 1.310 20 0 BDADRP CCCN(C[C@@H]1CC[NH2+]C1)C[C@H]1CCC[NH2+]1 ZINC001236832679 979746088 /nfs/dbraw/zinc/74/60/88/979746088.db2.gz WQXIMRMHKIGPDM-CHWSQXEVSA-N 2 0 225.380 1.060 20 0 BDADRP CC[C@H]([NH3+])CN(C)CC(C)(C)C[NH+](C)C ZINC001236858363 979765920 /nfs/dbraw/zinc/76/59/20/979765920.db2.gz BMLBSFQEUUKVES-NSHDSACASA-N 2 0 215.385 1.243 20 0 BDADRP C[C@H]([NH3+])CN(C)Cc1cccc(-c2cc[nH]n2)c1 ZINC001236909560 979791668 /nfs/dbraw/zinc/79/16/68/979791668.db2.gz SLRNUQRVEJVKJV-NSHDSACASA-N 2 0 244.342 1.856 20 0 BDADRP C[NH+]1CC2(C1)CCCN(CC[NH+]1CCCC1)C2 ZINC001278055503 979821500 /nfs/dbraw/zinc/82/15/00/979821500.db2.gz FTOXZVXHXHQKAW-UHFFFAOYSA-N 2 0 237.391 1.110 20 0 BDADRP C[C@@H]([NH3+])C(=O)NCCCCCC1CC[NH2+]CC1 ZINC001342545566 979827665 /nfs/dbraw/zinc/82/76/65/979827665.db2.gz XAQCRYOXIUFCJB-LLVKDONJSA-N 2 0 241.379 1.010 20 0 BDADRP C1=C2NCC[N@@H+](CCC3CC[NH2+]CC3)[C@H]2CCC1 ZINC001237219098 979849020 /nfs/dbraw/zinc/84/90/20/979849020.db2.gz KBVGFYKDARCKMW-HNNXBMFYSA-N 2 0 249.402 1.718 20 0 BDADRP CC[NH+]1C[C@H]2C[NH+](Cc3cccc(N)c3)C[C@@H]2C1 ZINC001237222695 979850662 /nfs/dbraw/zinc/85/06/62/979850662.db2.gz GPYCOTXFIDALNM-KBPBESRZSA-N 2 0 245.370 1.652 20 0 BDADRP CCC1(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)COC1 ZINC001237376075 979878528 /nfs/dbraw/zinc/87/85/28/979878528.db2.gz OPGQHGWMTMTZAU-QWHCGFSZSA-N 2 0 238.375 1.487 20 0 BDADRP Nc1ccccc1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237415557 979890188 /nfs/dbraw/zinc/89/01/88/979890188.db2.gz QAWIEBKTJWYRNX-DZGCQCFKSA-N 2 0 245.370 1.843 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[NH+]3CCC2CC3)CO1 ZINC001184135948 979946411 /nfs/dbraw/zinc/94/64/11/979946411.db2.gz XXLQGDJUTXOZRA-RAIGVLPGSA-N 2 0 224.348 1.095 20 0 BDADRP C[N@@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+]1CCCCC1 ZINC001278146449 980050697 /nfs/dbraw/zinc/05/06/97/980050697.db2.gz NLCJTVRZIGMCSO-KBPBESRZSA-N 2 0 237.391 1.251 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]C[C@H](C)OC ZINC001184417315 980081420 /nfs/dbraw/zinc/08/14/20/980081420.db2.gz AKKFSYPURKOMFG-RYUDHWBXSA-N 2 0 216.369 1.731 20 0 BDADRP CC[N@H+](Cc1cccc2c[nH+]cn21)CC(C)(C)O ZINC001238119999 980168482 /nfs/dbraw/zinc/16/84/82/980168482.db2.gz RUWUINDGIBSTCA-UHFFFAOYSA-N 2 0 247.342 1.927 20 0 BDADRP CC(C)([NH3+])CCC(=O)NC[C@@H]1CCC[NH2+]CC1 ZINC001343642272 980176352 /nfs/dbraw/zinc/17/63/52/980176352.db2.gz WJMKAYKCDPYDHP-LLVKDONJSA-N 2 0 241.379 1.010 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+](CCCCF)CC2 ZINC001278205839 980227889 /nfs/dbraw/zinc/22/78/89/980227889.db2.gz AKFHSZLXBAIJII-UHFFFAOYSA-N 2 0 214.328 1.764 20 0 BDADRP c1cc(C2=CCC[NH2+]CC2)nc2c1C[NH2+]CCO2 ZINC001238937678 980374163 /nfs/dbraw/zinc/37/41/63/980374163.db2.gz BGNAINLYGOBGBI-UHFFFAOYSA-N 2 0 245.326 1.330 20 0 BDADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001344590163 980438191 /nfs/dbraw/zinc/43/81/91/980438191.db2.gz JXXUZCRZTDENTJ-ONGXEEELSA-N 2 0 245.326 1.226 20 0 BDADRP Cn1cc[nH+]c1Nc1cnn(CCC[NH+](C)C)c1 ZINC001186846920 980444832 /nfs/dbraw/zinc/44/48/32/980444832.db2.gz JHVHINZGKQJDDH-UHFFFAOYSA-N 2 0 248.334 1.312 20 0 BDADRP Cn1c[nH+]cc1Nc1cnn(CCC[NH+](C)C)c1 ZINC001186942827 980457083 /nfs/dbraw/zinc/45/70/83/980457083.db2.gz JMRNIYZZJSWFJQ-UHFFFAOYSA-N 2 0 248.334 1.312 20 0 BDADRP CC[C@H](NCC[C@H](C)[NH2+]C)[C@@H]1CCC[NH2+]1 ZINC001345481864 980618020 /nfs/dbraw/zinc/61/80/20/980618020.db2.gz GWLYMPFOQDHGGH-SRVKXCTJSA-N 2 0 213.369 1.105 20 0 BDADRP C[NH2+][C@H](C)CCN[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC001345481470 980619079 /nfs/dbraw/zinc/61/90/79/980619079.db2.gz CFIUKDADVANOFW-LOWVWBTDSA-N 2 0 225.380 1.057 20 0 BDADRP Cc1cccc([C@H](O)C[NH2+]C[C@H]2CC[N@@H+](C)C2)c1 ZINC001346192557 980780404 /nfs/dbraw/zinc/78/04/04/980780404.db2.gz WCOQLLBKGXNOIA-UKRRQHHQSA-N 2 0 248.370 1.570 20 0 BDADRP Nc1cc[nH+]c(-c2cncc(C[NH3+])c2)c1 ZINC001239784715 980912625 /nfs/dbraw/zinc/91/26/25/980912625.db2.gz VIYCSPUKSDYRLH-UHFFFAOYSA-N 2 0 200.245 1.185 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2cn[nH]c2)CC[C@H]1C[NH3+] ZINC001205601366 981158366 /nfs/dbraw/zinc/15/83/66/981158366.db2.gz DWEOKYCKCCLERH-PWSUYJOCSA-N 2 0 222.336 1.217 20 0 BDADRP C[C@H]1CC[N@H+](Cc2cnoc2)CC[C@@H]1C[NH3+] ZINC001205601648 981161302 /nfs/dbraw/zinc/16/13/02/981161302.db2.gz FTJHRIKTYKAFTL-CMPLNLGQSA-N 2 0 223.320 1.481 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@@H](Nc2nccnc2C[NH3+])C1 ZINC001348019621 981249446 /nfs/dbraw/zinc/24/94/46/981249446.db2.gz GJAYECXWZVYLGE-GHMZBOCLSA-N 2 0 249.362 1.220 20 0 BDADRP Cc1ncc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)o1 ZINC001205637842 981380359 /nfs/dbraw/zinc/38/03/59/981380359.db2.gz JLMKVTXZWQFZSS-ZYHUDNBSSA-N 2 0 237.347 1.790 20 0 BDADRP C/C=C(\NC=[NH2+])c1ccc2c(c1)CC[NH2+]C2 ZINC001240454342 981391793 /nfs/dbraw/zinc/39/17/93/981391793.db2.gz LWTGLHWNKCZFPL-SILLCRNTSA-N 2 0 215.300 1.890 20 0 BDADRP c1ccc(N2CC[NH2+]CC2)c(C2=CC[NH2+]CC2)c1 ZINC001240468884 981405597 /nfs/dbraw/zinc/40/55/97/981405597.db2.gz MPYKHHMECHWLID-UHFFFAOYSA-N 2 0 243.354 1.473 20 0 BDADRP C[C@H](C(=O)NCCCCCC[NH3+])n1ccnc1 ZINC001349487420 981564236 /nfs/dbraw/zinc/56/42/36/981564236.db2.gz OCKHSBYKDMPGAB-LLVKDONJSA-N 2 0 238.335 1.079 20 0 BDADRP C[NH+](C)Cc1ccnc(C2=CCC[NH2+]C2)c1 ZINC001240656945 981567323 /nfs/dbraw/zinc/56/73/23/981567323.db2.gz PNHDGZBEBBPBGJ-UHFFFAOYSA-N 2 0 217.316 1.520 20 0 BDADRP [NH3+]Cc1cccc(C2=CCC[NH2+]C2)c1F ZINC001240670432 981580719 /nfs/dbraw/zinc/58/07/19/981580719.db2.gz ILNJULZVBDSORI-UHFFFAOYSA-N 2 0 206.264 1.661 20 0 BDADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C1CC[NH2+]CC1 ZINC001580878526 981671778 /nfs/dbraw/zinc/67/17/78/981671778.db2.gz QTQIKXVWBIEDIL-XJFOESAGSA-N 2 0 238.375 1.125 20 0 BDADRP O[C@]1(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CCC[NH2+]CC1 ZINC001580879920 981671979 /nfs/dbraw/zinc/67/19/79/981671979.db2.gz GUQLWIAXTYUTTJ-ZOBORPQBSA-N 2 0 238.375 1.269 20 0 BDADRP O[C@@]1(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CCC[NH2+]CC1 ZINC001580879917 981674533 /nfs/dbraw/zinc/67/45/33/981674533.db2.gz GUQLWIAXTYUTTJ-RFGFWPKPSA-N 2 0 238.375 1.269 20 0 BDADRP O[C@]1(C[NH2+][C@H]2CCC23CCCC3)CC[NH2+]C1 ZINC001580880740 981687197 /nfs/dbraw/zinc/68/71/97/981687197.db2.gz XDTGQRKXWSHPDS-WCQYABFASA-N 2 0 224.348 1.023 20 0 BDADRP c1cc2c(cc1C[NH2+][C@H]1CCOC1)C[NH2+]CC2 ZINC001580890736 981718533 /nfs/dbraw/zinc/71/85/33/981718533.db2.gz OQNJDQCEVGGVSY-AWEZNQCLSA-N 2 0 232.327 1.211 20 0 BDADRP c1ccc([C@@H]2CC[N@H+]2CCN2CC[NH2+]CC2)cc1 ZINC001580892652 981726155 /nfs/dbraw/zinc/72/61/55/981726155.db2.gz AZNHFPXJRPPUDM-HNNXBMFYSA-N 2 0 245.370 1.339 20 0 BDADRP c1cnc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC001580896658 981734753 /nfs/dbraw/zinc/73/47/53/981734753.db2.gz MJWFDTDKPLJZSS-YOGCLGLASA-N 2 0 232.331 1.097 20 0 BDADRP CCC1([NH3+])CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC001349883722 981805357 /nfs/dbraw/zinc/80/53/57/981805357.db2.gz OSFIWNTWBOAURT-SNVBAGLBSA-N 2 0 241.379 1.090 20 0 BDADRP C[N@@H+]1CCc2ncnc(C=C3CC[NH2+]CC3)c2C1 ZINC001240875666 981923994 /nfs/dbraw/zinc/92/39/94/981923994.db2.gz RNELLNCNSPWZRE-UHFFFAOYSA-N 2 0 244.342 1.231 20 0 BDADRP C(c1cnc2c(c1)C[NH2+]CC2)=C1CC[NH2+]CC1 ZINC001240878784 981932132 /nfs/dbraw/zinc/93/21/32/981932132.db2.gz YPGMINJYYBGBNV-UHFFFAOYSA-N 2 0 229.327 1.494 20 0 BDADRP C[C@H]([NH3+])CN1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC001351798889 982391005 /nfs/dbraw/zinc/39/10/05/982391005.db2.gz DZLSWDDBTVNYIX-JQWIXIFHSA-N 2 0 213.369 1.031 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205763907 982414410 /nfs/dbraw/zinc/41/44/10/982414410.db2.gz SPMJKCQAFATPLA-NSHDSACASA-N 3 0 249.349 1.421 20 0 BDADRP COC1(C[N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)CCC1 ZINC001352041101 982444287 /nfs/dbraw/zinc/44/42/87/982444287.db2.gz HJTYIKFPTSKNEM-QWHCGFSZSA-N 2 0 238.375 1.439 20 0 BDADRP Cc1c(N)cc[nH+]c1C1=CC[N@H+](C)CC1 ZINC001241308064 982450498 /nfs/dbraw/zinc/45/04/98/982450498.db2.gz FWXZMQPURSXPDE-UHFFFAOYSA-N 2 0 203.289 1.691 20 0 BDADRP C[NH+](C)CCC[N@H+](C)CC1CCOCC1 ZINC000337288846 982570431 /nfs/dbraw/zinc/57/04/31/982570431.db2.gz BFUXFBYGONNFBS-UHFFFAOYSA-N 2 0 214.353 1.297 20 0 BDADRP CN(C[C@H]1CCC[NH2+]C1)C1(C[NH3+])CCCCC1 ZINC001353035627 982670447 /nfs/dbraw/zinc/67/04/47/982670447.db2.gz SEHYSDFFMRAXAN-ZDUSSCGKSA-N 2 0 239.407 1.579 20 0 BDADRP C[NH+](C)CCCC[NH2+]C[C@H](O)c1ccccn1 ZINC001353271484 982812695 /nfs/dbraw/zinc/81/26/95/982812695.db2.gz BEAZKWGPTSQYBD-ZDUSSCGKSA-N 2 0 237.347 1.046 20 0 BDADRP CCn1cncc1CN1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001205854619 982875116 /nfs/dbraw/zinc/87/51/16/982875116.db2.gz KQRZXEUHSRLJKS-VXGBXAGGSA-N 2 0 236.363 1.462 20 0 BDADRP CC=C(NC=[NH2+])c1cnn(C2CC[NH2+]CC2)c1 ZINC001241773754 983044035 /nfs/dbraw/zinc/04/40/35/983044035.db2.gz VJGLQPDUUGNCSK-OIXVIMQBSA-N 2 0 233.319 1.365 20 0 BDADRP [NH3+]Cc1ccc(-c2ncc3c(n2)CC[NH2+]C3)cc1 ZINC001241912228 983127722 /nfs/dbraw/zinc/12/77/22/983127722.db2.gz ZUMMJEDODMXTAY-UHFFFAOYSA-N 2 0 240.310 1.248 20 0 BDADRP CC(C)[N@@H+](C)C[C@H](C)Nc1nccnc1C[NH3+] ZINC001354198014 983190854 /nfs/dbraw/zinc/19/08/54/983190854.db2.gz CMWJXPLDIRJCPF-JTQLQIEISA-N 2 0 237.351 1.076 20 0 BDADRP CC[N@H+]1C[C@@H]2C[NH+](CCC(C)C)C[C@@H]2C1 ZINC001201629763 983359837 /nfs/dbraw/zinc/35/98/37/983359837.db2.gz AWGZBGDWFJSUOE-BETUJISGSA-N 2 0 210.365 1.916 20 0 BDADRP CC(C)CC[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001201613307 983370657 /nfs/dbraw/zinc/37/06/57/983370657.db2.gz AVQXWOMIHLRYBQ-UHFFFAOYSA-N 2 0 227.396 1.212 20 0 BDADRP c1cc(-c2ncc3c(n2)C[NH2+]C3)cc2c1C[NH2+]C2 ZINC001242674338 984041948 /nfs/dbraw/zinc/04/19/48/984041948.db2.gz VHEKLMNCNZWHPV-UHFFFAOYSA-N 2 0 238.294 1.350 20 0 BDADRP CC[N@H+]1C[C@@H]2C[NH+](CC3CCOCC3)C[C@@H]2C1 ZINC001202610340 984124856 /nfs/dbraw/zinc/12/48/56/984124856.db2.gz YLGHBTRIRYDUTI-OKILXGFUSA-N 2 0 238.375 1.297 20 0 BDADRP CC1CC(C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C)C1 ZINC001253384035 984140550 /nfs/dbraw/zinc/14/05/50/984140550.db2.gz MLVHJMKIUFMYJH-MCIGGMRASA-N 2 0 228.380 1.371 20 0 BDADRP CC[C@@](C)(C[NH2+]C1CC2(C[C@H]2[NH3+])C1)OC ZINC001576948953 984184757 /nfs/dbraw/zinc/18/47/57/984184757.db2.gz BBPYMXBKZCIBFZ-UPOSSJBDSA-N 2 0 212.337 1.271 20 0 BDADRP CC[C@@H](C)CC[NH2+]CCC1([NH3+])CCOCC1 ZINC001576983630 984187190 /nfs/dbraw/zinc/18/71/90/984187190.db2.gz CKVGGWUTLJIHJZ-GFCCVEGCSA-N 2 0 228.380 1.910 20 0 BDADRP COC(=O)/C(C)=C\C[N@H+](C)CC1CC[NH2+]CC1 ZINC001578768639 984225662 /nfs/dbraw/zinc/22/56/62/984225662.db2.gz GDUMMJBTMYDOET-WDZFZDKYSA-N 2 0 240.347 1.037 20 0 BDADRP COCC[C@@H](C)C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001578994780 984239086 /nfs/dbraw/zinc/23/90/86/984239086.db2.gz LXZBHMJDWRFEBU-VXGBXAGGSA-N 2 0 214.353 1.248 20 0 BDADRP c1cc(C2=CC[NH2+]CC2)cc2c1C1(C[NH2+]C1)OC2 ZINC001240469626 984303677 /nfs/dbraw/zinc/30/36/77/984303677.db2.gz GTKBGYLBKCLLPI-UHFFFAOYSA-N 2 0 242.322 1.392 20 0 BDADRP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCOCOC ZINC001274929301 984407646 /nfs/dbraw/zinc/40/76/46/984407646.db2.gz LBPFYRSJNAIMGA-YHWZYXNKSA-N 2 0 242.363 1.212 20 0 BDADRP C[C@H]1C[C@H]([N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)CC[NH2+]1 ZINC000718223579 984409765 /nfs/dbraw/zinc/40/97/65/984409765.db2.gz CCCTUOKZWCZENX-GLBINXAQSA-N 2 0 236.359 1.236 20 0 BDADRP C[NH2+][C@@]12CC[C@@]([NH2+]CCCOC)(C1)CCC2 ZINC001274936587 984413329 /nfs/dbraw/zinc/41/33/29/984413329.db2.gz HWZYNKKSNNCCML-QWHCGFSZSA-N 2 0 226.364 1.677 20 0 BDADRP CC[N@@H+]1CCC[C@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001275086442 984481055 /nfs/dbraw/zinc/48/10/55/984481055.db2.gz MDAFHVGXKCUJIW-AWEZNQCLSA-N 2 0 239.407 1.356 20 0 BDADRP CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001275108111 984489929 /nfs/dbraw/zinc/48/99/29/984489929.db2.gz KYEYGXSIZONUJZ-BETUJISGSA-N 2 0 225.380 1.107 20 0 BDADRP CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001275117875 984493030 /nfs/dbraw/zinc/49/30/30/984493030.db2.gz NXGDCHDRRNUYCT-OKILXGFUSA-N 2 0 239.407 1.497 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@@H](c3cnccn3)C2)C1 ZINC001580387561 984512957 /nfs/dbraw/zinc/51/29/57/984512957.db2.gz MUNLOEYOZJHTKG-YNEHKIRRSA-N 2 0 246.358 1.393 20 0 BDADRP Cn1cccc1C[NH+]1CCC2(CC[N@H+](C)C2)CC1 ZINC001275234773 984525811 /nfs/dbraw/zinc/52/58/11/984525811.db2.gz VEVXRPJVUOOWJW-UHFFFAOYSA-N 2 0 247.386 1.943 20 0 BDADRP C1=C(c2ccc(CN3CC[NH2+]CC3)cc2)C[NH2+]C1 ZINC001243111405 984576552 /nfs/dbraw/zinc/57/65/52/984576552.db2.gz QJQBCNHSVUHNTH-UHFFFAOYSA-N 2 0 243.354 1.078 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N[C@H](C)C1C[NH2+]C1 ZINC001577687895 984636038 /nfs/dbraw/zinc/63/60/38/984636038.db2.gz UZAQQMQNWUCZBT-NWDGAFQWSA-N 2 0 227.396 1.304 20 0 BDADRP C[N@H+]1CC[C@H]2C[NH+](Cc3ccncc3)C[C@H]2CC1 ZINC001275885519 984706917 /nfs/dbraw/zinc/70/69/17/984706917.db2.gz HYBGUMPOYWSRFB-GASCZTMLSA-N 2 0 245.370 1.855 20 0 BDADRP C[N@H+]1CC[C@H]2C[NH+](Cc3ccccn3)C[C@H]2CC1 ZINC001275871390 984716405 /nfs/dbraw/zinc/71/64/05/984716405.db2.gz YUAKTQDWCICUGV-OKILXGFUSA-N 2 0 245.370 1.855 20 0 BDADRP CC[N@@H+]1CCC[C@@H](N[C@H]2C[NH2+]CC2(C)C)C1 ZINC001577771074 984780200 /nfs/dbraw/zinc/78/02/00/984780200.db2.gz RLMXAONJPZUEKK-NEPJUHHUSA-N 2 0 225.380 1.058 20 0 BDADRP C[N@@H+]1CCCC2(CC[NH+](Cc3cnco3)CC2)C1 ZINC001276157291 984821285 /nfs/dbraw/zinc/82/12/85/984821285.db2.gz GONYQTDTQQNKFH-UHFFFAOYSA-N 2 0 249.358 1.982 20 0 BDADRP CCOC(=O)C1CCC([NH2+][C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001577931357 984823325 /nfs/dbraw/zinc/82/33/25/984823325.db2.gz GQBPFVAKQYOEOQ-NGMURSQQSA-N 2 0 240.347 1.188 20 0 BDADRP CCOC(C)(C)C[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001578071259 984838131 /nfs/dbraw/zinc/83/81/31/984838131.db2.gz CJOCUNHWURMDBF-YZRBJQDESA-N 2 0 212.337 1.271 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+][C@H]2C[C@@H]([NH3+])C2)C12CCC2 ZINC001578093278 984845815 /nfs/dbraw/zinc/84/58/15/984845815.db2.gz GORUZEDORXTPCM-USZNOCQGSA-N 2 0 224.348 1.413 20 0 BDADRP CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C1 ZINC001578148742 984855271 /nfs/dbraw/zinc/85/52/71/984855271.db2.gz IICCQQUECROYQN-DJQAVVSRSA-N 2 0 248.307 1.789 20 0 BDADRP CCO[C@H]1CC[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001578160962 984863643 /nfs/dbraw/zinc/86/36/43/984863643.db2.gz GBNWXJCJHRUQST-TUAOUCFPSA-N 2 0 212.337 1.225 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+]CC2(C[NH3+])CCC2)C1 ZINC001578161829 984864317 /nfs/dbraw/zinc/86/43/17/984864317.db2.gz XPEZCRMXDBAIHR-XYPYZODXSA-N 2 0 212.337 1.273 20 0 BDADRP CCO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC001578160823 984864573 /nfs/dbraw/zinc/86/45/73/984864573.db2.gz FBTJODMNPGHGCV-KKOKHZNYSA-N 2 0 212.337 1.413 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[NH2+]C2)[C@@H]1SC ZINC001578159277 984864715 /nfs/dbraw/zinc/86/47/15/984864715.db2.gz XQOLERFBIRPDQT-QCNOEVLYSA-N 2 0 244.404 1.095 20 0 BDADRP CCOc1cncc(CN[C@H]2C[C@H]([NH3+])C2)c1 ZINC001578203975 984871759 /nfs/dbraw/zinc/87/17/59/984871759.db2.gz NACSWVWPPWERKI-XYPYZODXSA-N 2 0 221.304 1.060 20 0 BDADRP CCC[C@@H](C)NC(=[NH2+])NCC[NH+](CC)CC ZINC001257314755 984890049 /nfs/dbraw/zinc/89/00/49/984890049.db2.gz PIDMCXPKPFKISJ-LLVKDONJSA-N 2 0 228.384 1.631 20 0 BDADRP CCn1cc(C[NH2+]C2CC3(CC([NH3+])C3)C2)cn1 ZINC001578347916 984983468 /nfs/dbraw/zinc/98/34/68/984983468.db2.gz HFCYFROUXGVJBU-UHFFFAOYSA-N 2 0 234.347 1.263 20 0 BDADRP CCn1ccc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)n1 ZINC001578354153 984996749 /nfs/dbraw/zinc/99/67/49/984996749.db2.gz ZRMBUPGLDAEPMX-VXGBXAGGSA-N 2 0 236.363 1.320 20 0 BDADRP CN(CC(C)(C)[NH3+])CC(C)(C)C[NH+](C)C ZINC001578413755 985049786 /nfs/dbraw/zinc/04/97/86/985049786.db2.gz VVYIJWVFOMCCON-UHFFFAOYSA-N 2 0 215.385 1.243 20 0 BDADRP CN(C)c1cccc(C[NH+]2CCC(C[NH3+])CC2)n1 ZINC001578426726 985056894 /nfs/dbraw/zinc/05/68/94/985056894.db2.gz DCIJUMLJLRPWMA-UHFFFAOYSA-N 2 0 248.374 1.318 20 0 BDADRP Cn1cc([C@@H]2C[C@H]2C[N@H+](C)CC(C)(C)[NH3+])cn1 ZINC001578482246 985115386 /nfs/dbraw/zinc/11/53/86/985115386.db2.gz BICLQQKZNHMRIH-CMPLNLGQSA-N 2 0 236.363 1.193 20 0 BDADRP C[N@H+](C[C@H]1CC[C@@H]([NH3+])C1)CC(C)(C)CO ZINC001578486629 985120758 /nfs/dbraw/zinc/12/07/58/985120758.db2.gz SWXPWKZGDCCDSI-WDEREUQCSA-N 2 0 214.353 1.064 20 0 BDADRP C[N@@H+](Cc1cnn2c1CCC2)CC1CC[NH2+]CC1 ZINC001578500682 985125981 /nfs/dbraw/zinc/12/59/81/985125981.db2.gz WIMDUOJLWHKIFB-UHFFFAOYSA-N 2 0 248.374 1.261 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@H]2C1 ZINC001578520351 985133886 /nfs/dbraw/zinc/13/38/86/985133886.db2.gz ANHBHSXNTZAVFA-ZRGDOOIKSA-N 2 0 249.402 1.199 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H](N[C@@H]3C[C@H]([NH3+])C3(C)C)[C@H]2C1 ZINC001578521177 985141884 /nfs/dbraw/zinc/14/18/84/985141884.db2.gz MJYGAVWFDYMWRC-PJSNJIKXSA-N 2 0 237.391 1.042 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC001578524476 985146359 /nfs/dbraw/zinc/14/63/59/985146359.db2.gz XCNWFGHCTRXIDI-UONOGXRCSA-N 3 0 237.391 1.141 20 0 BDADRP CN1CCC[C@H]([NH2+]CC2(C)CC[NH2+]CC2)C1 ZINC001578528008 985147226 /nfs/dbraw/zinc/14/72/26/985147226.db2.gz AVEITYPRRKITNB-LBPRGKRZSA-N 2 0 225.380 1.060 20 0 BDADRP CN1CC[C@H]1C[NH2+]C[C@@H]([NH3+])CCC(C)(C)C ZINC001578526064 985149098 /nfs/dbraw/zinc/14/90/98/985149098.db2.gz YMZOVWOAICALTI-RYUDHWBXSA-N 2 0 227.396 1.434 20 0 BDADRP C[N@@H+]1CCC[C@@H](NC[C@H]2CCCCC[NH2+]2)C1 ZINC001578528486 985150975 /nfs/dbraw/zinc/15/09/75/985150975.db2.gz IBFZXSBRAMSIMY-CHWSQXEVSA-N 2 0 225.380 1.202 20 0 BDADRP CN1CC[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C(C)(C)C1 ZINC001578536382 985167368 /nfs/dbraw/zinc/16/73/68/985167368.db2.gz OGKRHIVZPQBTGJ-NWDGAFQWSA-N 2 0 225.380 1.140 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC001578627249 985241408 /nfs/dbraw/zinc/24/14/08/985241408.db2.gz MVHNKTNFGVMOJC-GSZZWUTPSA-N 2 0 238.375 1.245 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc2c(c1)C[C@@H](C)O2 ZINC001578626740 985244142 /nfs/dbraw/zinc/24/41/42/985244142.db2.gz GURYEEGTQVKLEP-VXGBXAGGSA-N 2 0 248.370 1.955 20 0 BDADRP CO[C@H]1CC[C@@H](C)[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000687191480 985255462 /nfs/dbraw/zinc/25/54/62/985255462.db2.gz BGWIHCSNOZIPHW-NDBYEHHHSA-N 2 0 226.364 1.341 20 0 BDADRP C[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC001578653697 985275676 /nfs/dbraw/zinc/27/56/76/985275676.db2.gz CFNSYNXCCFWOMY-AEGPPILISA-N 2 0 248.370 1.650 20 0 BDADRP CNc1ccccc1C[NH2+][C@H]1C[C@@H]([NH3+])C1 ZINC001578764147 985324943 /nfs/dbraw/zinc/32/49/43/985324943.db2.gz QULXYZAZSXBLFV-PHIMTYICSA-N 2 0 205.305 1.308 20 0 BDADRP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C[C@H](C)[NH3+] ZINC001578795639 985362899 /nfs/dbraw/zinc/36/28/99/985362899.db2.gz BBNHADSNUWXBMP-VHSXEESVSA-N 2 0 230.352 1.291 20 0 BDADRP COC(=O)CCCCC[NH2+]CC1(C[NH3+])CCC1 ZINC001578806422 985377159 /nfs/dbraw/zinc/37/71/59/985377159.db2.gz ZGBVONRSFJERRM-UHFFFAOYSA-N 2 0 242.363 1.438 20 0 BDADRP COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC001578832993 985408186 /nfs/dbraw/zinc/40/81/86/985408186.db2.gz UJLWCNGAPOZSMQ-KKOKHZNYSA-N 2 0 240.347 1.188 20 0 BDADRP C[C@H]1COC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000688003954 985474688 /nfs/dbraw/zinc/47/46/88/985474688.db2.gz AVEWWLGKHXSYJY-ZZIFITQXSA-N 2 0 224.348 1.236 20 0 BDADRP CO[C@H](C)C[NH2+]C[C@@H]1CCC[NH2+]CC1 ZINC001578900948 985481096 /nfs/dbraw/zinc/48/10/96/985481096.db2.gz IILDMFDIZURFMQ-GHMZBOCLSA-N 2 0 200.326 1.001 20 0 BDADRP CO[C@H](C[NH2+]CCCC[NH3+])CC(C)C ZINC001578913562 985517011 /nfs/dbraw/zinc/51/70/11/985517011.db2.gz ZYHBZZXVQSMGHV-NSHDSACASA-N 2 0 202.342 1.376 20 0 BDADRP CO[C@@H](C[NH2+][C@H]1C[C@H]([NH3+])C1)CC(C)C ZINC001578912344 985511380 /nfs/dbraw/zinc/51/13/80/985511380.db2.gz CSZXXSSZVLBCCJ-GMTAPVOTSA-N 2 0 200.326 1.127 20 0 BDADRP COC1(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)CCC1 ZINC001578926869 985522279 /nfs/dbraw/zinc/52/22/79/985522279.db2.gz PCUZEAIJQKQMGW-AAEUAGOBSA-N 2 0 224.348 1.369 20 0 BDADRP C[C@H]1COC[C@@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000688048348 985528857 /nfs/dbraw/zinc/52/88/57/985528857.db2.gz NLTMEJKRLOLRED-RYUDHWBXSA-N 2 0 226.364 1.343 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+][C@H]2CC[NH2+][C@@H]2C)C1 ZINC001578936380 985530715 /nfs/dbraw/zinc/53/07/15/985530715.db2.gz DFLKPQMRJKBZBW-WYUUTHIRSA-N 2 0 212.337 1.284 20 0 BDADRP COC1CC(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])C1 ZINC001578935724 985531148 /nfs/dbraw/zinc/53/11/48/985531148.db2.gz KVQOJACLCLJAAU-MFQSTILNSA-N 2 0 200.326 1.127 20 0 BDADRP COC1(C[NH2+][C@@](C)(C[NH3+])C(C)C)CCC1 ZINC001578930057 985537547 /nfs/dbraw/zinc/53/75/47/985537547.db2.gz OBQBCVLNPNZABU-NSHDSACASA-N 2 0 214.353 1.519 20 0 BDADRP C[C@@H]1COC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000688053426 985538955 /nfs/dbraw/zinc/53/89/55/985538955.db2.gz NUJGDQGUDAVCPG-LPWJVIDDSA-N 2 0 224.348 1.238 20 0 BDADRP COC[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]CC1 ZINC001578961416 985589219 /nfs/dbraw/zinc/58/92/19/985589219.db2.gz XHVCBFZJYSAORW-MNOVXSKESA-N 2 0 200.326 1.001 20 0 BDADRP COCC1([NH2+]C2CC([NH3+])C2)CCCCC1 ZINC001578984140 985606652 /nfs/dbraw/zinc/60/66/52/985606652.db2.gz PSRHMBOBNXPRIT-UHFFFAOYSA-N 2 0 212.337 1.415 20 0 BDADRP COCC[C@@H]([NH3+])C[NH2+]C[C@@H](C)c1ccncc1 ZINC001579002024 985655812 /nfs/dbraw/zinc/65/58/12/985655812.db2.gz NASZETDOYULYHV-DGCLKSJQSA-N 2 0 237.347 1.139 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+]C[C@@H]1CCC[C@@H]1C ZINC001579003621 985662553 /nfs/dbraw/zinc/66/25/53/985662553.db2.gz KDCMVMBWDXHXNU-SRVKXCTJSA-N 2 0 214.353 1.376 20 0 BDADRP COc1cc(CCN[C@@H]2C[NH2+]C[C@H](C)C2)ccn1 ZINC001579150170 985815530 /nfs/dbraw/zinc/81/55/30/985815530.db2.gz GITUKQVYZUCDQM-YPMHNXCESA-N 2 0 249.358 1.220 20 0 BDADRP COc1cccc(C[C@@H](C)[NH2+][C@H]2C[C@H]([NH3+])C2)n1 ZINC001579269374 985827842 /nfs/dbraw/zinc/82/78/42/985827842.db2.gz SQKIWFDHWVSKDM-CKYFFXLPSA-N 2 0 235.331 1.101 20 0 BDADRP C[S@](=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)C1 ZINC001579355640 985856688 /nfs/dbraw/zinc/85/66/88/985856688.db2.gz NYWCVRBTXYKGAZ-OYLDRBDASA-N 2 0 244.404 1.003 20 0 BDADRP C[S@](=O)[C@@H]1CC[C@@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC001579356398 985857197 /nfs/dbraw/zinc/85/71/97/985857197.db2.gz WPNXPWUYVLVHEU-FVMVCADISA-N 2 0 244.404 1.146 20 0 BDADRP C[C@@H]([NH3+])CC(=O)Nc1ccc2c[nH+]cn2c1 ZINC001579402462 985882078 /nfs/dbraw/zinc/88/20/78/985882078.db2.gz RGXPHLDXGSFTPN-MRVPVSSYSA-N 2 0 218.260 1.010 20 0 BDADRP C[C@@H]1C[NH+](C[C@H]2CC[C@@H]([NH3+])C2)C[C@@H](C)C1=O ZINC001579440553 985929897 /nfs/dbraw/zinc/92/98/97/985929897.db2.gz LRGYCUWPPBASQV-WISYIIOYSA-N 2 0 224.348 1.271 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H]1C(C)(C)O ZINC001579454620 985939584 /nfs/dbraw/zinc/93/95/84/985939584.db2.gz PDFNKLJJPQBQRG-GRYCIOLGSA-N 2 0 226.364 1.077 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)[C@H](CO)C(C)(C)C ZINC001579454502 985939794 /nfs/dbraw/zinc/93/97/94/985939794.db2.gz HSIOMQXYYWYYHI-GRYCIOLGSA-N 2 0 228.380 1.181 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC(C)(C)CC[C@H]1CO ZINC001579454400 985945543 /nfs/dbraw/zinc/94/55/43/985945543.db2.gz AKESLNCNDUJWIZ-AGIUHOORSA-N 2 0 240.391 1.325 20 0 BDADRP Nc1cc[nH+]c(-c2cccc(OCC[NH3+])c2)c1 ZINC001244317364 985949610 /nfs/dbraw/zinc/94/96/10/985949610.db2.gz BKMNGGXBHUBBHW-UHFFFAOYSA-N 2 0 229.283 1.668 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC001579459681 985954037 /nfs/dbraw/zinc/95/40/37/985954037.db2.gz PXJDOKMINKZNRA-WXHSDQCUSA-N 2 0 246.354 1.305 20 0 BDADRP C[C@H]([NH2+]CCC1C[NH2+]C1)c1ccccn1 ZINC001579485712 986012385 /nfs/dbraw/zinc/01/23/85/986012385.db2.gz JAGVGIVRBCWVQN-JTQLQIEISA-N 2 0 205.305 1.342 20 0 BDADRP CC(C)C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001461179587 986018529 /nfs/dbraw/zinc/01/85/29/986018529.db2.gz MJNBMFWUHGMBOR-CYBMUJFWSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@H]1C[C@@H](O)C[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC001579495747 986020022 /nfs/dbraw/zinc/02/00/22/986020022.db2.gz FRNJZISHCCQITC-RWMBFGLXSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@H]1[C@@H](O)CC[N@@H+]1C[C@H]1CC[C@H](C[NH3+])CC1 ZINC001579507783 986057704 /nfs/dbraw/zinc/05/77/04/986057704.db2.gz LWSQZZJVCYUGTB-CYDGBPFRSA-N 2 0 226.364 1.207 20 0 BDADRP Cc1n[nH]c(C[NH2+]C[C@H]2CC[C@@H]([NH3+])C2)c1C ZINC001579514018 986067560 /nfs/dbraw/zinc/06/75/60/986067560.db2.gz DQEZXDFCBQGGDU-WDEREUQCSA-N 2 0 222.336 1.244 20 0 BDADRP Cc1c[nH]c(=O)c(C[NH2+]CC2CC[NH2+]CC2)c1 ZINC001579544388 986072465 /nfs/dbraw/zinc/07/24/65/986072465.db2.gz WECMILUZKNEUSF-UHFFFAOYSA-N 2 0 235.331 1.185 20 0 BDADRP Cc1c[nH]c(=O)c(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC001579544172 986074348 /nfs/dbraw/zinc/07/43/48/986074348.db2.gz QJEVPLDWBYZZNG-AAEUAGOBSA-N 2 0 249.358 1.573 20 0 BDADRP Cc1c[nH]c(C[NH2+]C[C@@H]2CCC[NH2+]CC2)n1 ZINC001579548110 986082526 /nfs/dbraw/zinc/08/25/26/986082526.db2.gz XMOBURQECZUXPH-LLVKDONJSA-N 2 0 222.336 1.197 20 0 BDADRP CCC[C@@H](CO)[NH2+]C1CC[NH+](CCC)CC1 ZINC001258767058 986148802 /nfs/dbraw/zinc/14/88/02/986148802.db2.gz MUNZEZXVRPCHBK-ZDUSSCGKSA-N 2 0 228.380 1.611 20 0 BDADRP Cc1ccc2nc(CSC3C[NH2+]C3)cn2c1 ZINC001579742145 986195752 /nfs/dbraw/zinc/19/57/52/986195752.db2.gz HGBFTCXMJAMSMJ-UHFFFAOYSA-N 2 0 233.340 1.848 20 0 BDADRP C[NH+](C)C[C@H]1CC[N@H+](C[C@@]2(C)CCCCO2)C1 ZINC001462084314 986272138 /nfs/dbraw/zinc/27/21/38/986272138.db2.gz ZYIIXTPUGCUMDK-ZIAGYGMSSA-N 2 0 240.391 1.829 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@]2(C)CCO[C@@H]2C)CC1 ZINC001462079834 986274579 /nfs/dbraw/zinc/27/45/79/986274579.db2.gz KCQZMMXJKCPSMQ-OCCSQVGLSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1ncc(C[NH2+]C[C@H]2CC[C@@H]([NH3+])C2)o1 ZINC001579877873 986295446 /nfs/dbraw/zinc/29/54/46/986295446.db2.gz FVHDXWRCRZHNPP-VHSXEESVSA-N 2 0 209.293 1.200 20 0 BDADRP Cc1ncoc1C[NH2+]C1CC2(CC([NH3+])C2)C1 ZINC001579888037 986303198 /nfs/dbraw/zinc/30/31/98/986303198.db2.gz MRQKRCPCBORKBG-UHFFFAOYSA-N 2 0 221.304 1.343 20 0 BDADRP CC[NH+]1C[C@H]2C[NH+](CC3CCC3)C[C@@H]2C1 ZINC001202791582 986312300 /nfs/dbraw/zinc/31/23/00/986312300.db2.gz ACMBYFYFSUGTNP-STQMWFEESA-N 2 0 208.349 1.670 20 0 BDADRP CC[N@H+](C)C1CC[NH+](C[C@@H](O)C(C)(C)C)CC1 ZINC001253729522 986343021 /nfs/dbraw/zinc/34/30/21/986343021.db2.gz AGIVXGFKHSGWQD-CYBMUJFWSA-N 2 0 242.407 1.810 20 0 BDADRP Cn1cc([C@@H]2C[C@H]2C[NH2+]C2(C)CC[NH2+]CC2)cn1 ZINC001579969715 986368384 /nfs/dbraw/zinc/36/83/84/986368384.db2.gz MBFMSOJICWDIBS-WCQYABFASA-N 2 0 248.374 1.255 20 0 BDADRP Cn1cc([C@@H]2C[C@H]2C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)cn1 ZINC001579970481 986374183 /nfs/dbraw/zinc/37/41/83/986374183.db2.gz XUGJOZTZUOHTEN-ZBAXXZLZSA-N 2 0 248.374 1.239 20 0 BDADRP Cn1ncc(C[NH3+])c1C[NH2+]CC1CC(C)(C)C1 ZINC001580002341 986404203 /nfs/dbraw/zinc/40/42/03/986404203.db2.gz OQVLKRWSKXMRAW-UHFFFAOYSA-N 2 0 236.363 1.405 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001253786094 986424851 /nfs/dbraw/zinc/42/48/51/986424851.db2.gz VGGSDYFGVOEYGB-JHJVBQTASA-N 2 0 228.380 1.466 20 0 BDADRP FC1(F)CC12CC([NH2+]C[C@@H]1CCC[NH2+]C1)C2 ZINC001580024499 986425975 /nfs/dbraw/zinc/42/59/75/986425975.db2.gz YFAQTOLXRIZDOU-KPPDAEKUSA-N 2 0 230.302 1.763 20 0 BDADRP [NH3+]CCCCCC[NH2+]Cc1csnn1 ZINC000398285234 986477150 /nfs/dbraw/zinc/47/71/50/986477150.db2.gz NCUUIWSKRZZWIL-UHFFFAOYSA-N 2 0 214.338 1.147 20 0 BDADRP CO[C@H](C)C[N@@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001462656274 986484449 /nfs/dbraw/zinc/48/44/49/986484449.db2.gz WJZPPWVSAYOUQX-RFGFWPKPSA-N 2 0 240.391 1.683 20 0 BDADRP [NH3+]C1(CO)CCN(CCCC(F)(F)F)CC1 ZINC001580156898 986627650 /nfs/dbraw/zinc/62/76/50/986627650.db2.gz GONDSJIIAOPHPE-UHFFFAOYSA-N 2 0 240.269 1.115 20 0 BDADRP [NH3+]C1CC([NH2+]C[C@H]2C[C@H]2C2CCCC2)C1 ZINC001580162624 986634911 /nfs/dbraw/zinc/63/49/11/986634911.db2.gz CIZGRQFQESYBAO-XVSSEFHLSA-N 2 0 208.349 1.892 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+]C[C@@H]1COc3ccccc31)C2 ZINC001580165544 986635716 /nfs/dbraw/zinc/63/57/16/986635716.db2.gz MCIHXUPCDOOTQY-FEZMJDKJSA-N 2 0 244.338 1.632 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+][C@@H](CO)CC1CCC1)C2 ZINC001580163827 986637024 /nfs/dbraw/zinc/63/70/24/986637024.db2.gz DEBIRNPOUXOJNX-CQLXCSJHSA-N 2 0 224.348 1.007 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+][C@@H](CO)C1CCCC1)C2 ZINC001580163347 986638232 /nfs/dbraw/zinc/63/82/32/986638232.db2.gz AAJPACQNRHKTQF-CMOBGSAGSA-N 2 0 224.348 1.007 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC[C@@H](O)C2CCCC2)C1 ZINC001580175135 986647715 /nfs/dbraw/zinc/64/77/15/986647715.db2.gz CGUQNBJDBQXHKZ-HZSPNIEDSA-N 2 0 240.391 1.787 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCC3(C2)OCCO3)C1 ZINC001580176693 986650211 /nfs/dbraw/zinc/65/02/11/986650211.db2.gz QMHYAMJQMSTUNR-GRYCIOLGSA-N 2 0 240.347 1.142 20 0 BDADRP COC[C@H]1CC[N@@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254517550 986657625 /nfs/dbraw/zinc/65/76/25/986657625.db2.gz VFQREGCBRDOVPO-QWHCGFSZSA-N 2 0 226.364 1.439 20 0 BDADRP [NH3+]CC1(C[NH2+][C@H](CO)CCc2ccccc2)CC1 ZINC001580243540 986693096 /nfs/dbraw/zinc/69/30/96/986693096.db2.gz KNGHCIPZKUECED-AWEZNQCLSA-N 2 0 248.370 1.309 20 0 BDADRP [NH3+]CC1CC[NH+](CC2(O)CCCCCC2)CC1 ZINC001580265275 986705180 /nfs/dbraw/zinc/70/51/80/986705180.db2.gz GBBOXEOMGZBYBO-UHFFFAOYSA-N 2 0 240.391 1.742 20 0 BDADRP [NH3+]CC12CC(C1)C[N@@H+]2CC1(O)CCCCCC1 ZINC001580247798 986705326 /nfs/dbraw/zinc/70/53/26/986705326.db2.gz MXYURVAOXYBFHE-UHFFFAOYSA-N 2 0 238.375 1.495 20 0 BDADRP [NH3+]C[C@]12CN(Cc3c[nH]cn3)C[C@@H]1CCCC2 ZINC001580256902 986708420 /nfs/dbraw/zinc/70/84/20/986708420.db2.gz ZOXQHRWNIHMLCE-WCQYABFASA-N 2 0 234.347 1.361 20 0 BDADRP [NH3+]C[C@@]12C[N@H+](C[C@@H](O)C3CC3)C[C@H]1CCCC2 ZINC001580256018 986708739 /nfs/dbraw/zinc/70/87/39/986708739.db2.gz PFMIULJBGMVPTH-MCIONIFRSA-N 2 0 238.375 1.208 20 0 BDADRP [NH3+]CC1CC([NH2+][C@H](CO)CC2CCCC2)C1 ZINC001580255577 986710108 /nfs/dbraw/zinc/71/01/08/986710108.db2.gz KLYATPNUTWBEBB-BPCQOVAHSA-N 2 0 226.364 1.255 20 0 BDADRP [NH3+]CCCCCC[NH2+][C@H]1C[C@@H]2COC[C@@H]21 ZINC001580293248 986738329 /nfs/dbraw/zinc/73/83/29/986738329.db2.gz HYESQUDBUBCUDH-WOPDTQHZSA-N 2 0 212.337 1.130 20 0 BDADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccc(=O)[nH]c1)C2 ZINC001580334981 986777853 /nfs/dbraw/zinc/77/78/53/986777853.db2.gz NDEUXQPCIVVXDP-JSGCOSHPSA-N 2 0 247.342 1.348 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCSC1 ZINC001580371956 986797752 /nfs/dbraw/zinc/79/77/52/986797752.db2.gz FZMBMJOCUMIKPQ-OPRDCNLKSA-N 2 0 200.351 1.351 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@@H](n3cccn3)C2)C1 ZINC001580387610 986812579 /nfs/dbraw/zinc/81/25/79/986812579.db2.gz QCWQQLIHNGFLHZ-YNEHKIRRSA-N 2 0 234.347 1.257 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+]C2([C@H]3CCCCO3)CC2)C1 ZINC001580389249 986814573 /nfs/dbraw/zinc/81/45/73/986814573.db2.gz FQNRKNSVDTWMMX-YNEHKIRRSA-N 2 0 238.375 1.805 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H](CCO)c2ccco2)C1 ZINC001580389937 986815927 /nfs/dbraw/zinc/81/59/27/986815927.db2.gz ZFTJOJFEFYQYGG-QJPTWQEYSA-N 2 0 238.331 1.420 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+]C[C@@H]2CCC=CO2)C1 ZINC001580389492 986816589 /nfs/dbraw/zinc/81/65/89/986816589.db2.gz JXNSWSDYBCJJMK-TUAOUCFPSA-N 2 0 210.321 1.396 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+]C[C@H]2CCC=CO2)C1 ZINC001580389491 986817460 /nfs/dbraw/zinc/81/74/60/986817460.db2.gz JXNSWSDYBCJJMK-QJPTWQEYSA-N 2 0 210.321 1.396 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)C1 ZINC001580430450 986848157 /nfs/dbraw/zinc/84/81/57/986848157.db2.gz MOKDWOPEJYVHBV-NWBUJAPZSA-N 2 0 224.348 1.271 20 0 BDADRP Nc1ncccc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC001580472519 986869045 /nfs/dbraw/zinc/86/90/45/986869045.db2.gz LLWVIFVTSPQYGN-QWRGUYRKSA-N 2 0 220.320 1.023 20 0 BDADRP C[NH+]1CCC2(CC[N@H+](Cc3cncnc3)C2)CC1 ZINC001137669170 986888791 /nfs/dbraw/zinc/88/87/91/986888791.db2.gz DVCZLLLVYMFCSI-UHFFFAOYSA-N 2 0 246.358 1.394 20 0 BDADRP [NH3+]Cc1cccc(-c2ccncc2C[NH3+])c1 ZINC001245558775 986950920 /nfs/dbraw/zinc/95/09/20/986950920.db2.gz UXIDJSLSVDULFD-UHFFFAOYSA-N 2 0 213.284 1.666 20 0 BDADRP C[NH2+]Cc1ccc(-c2ccncc2C[NH3+])cc1 ZINC001245561550 986956710 /nfs/dbraw/zinc/95/67/10/986956710.db2.gz XYZDITDHEYHATH-UHFFFAOYSA-N 2 0 227.311 1.927 20 0 BDADRP COC[C@@H](C)[N@@H+]1CCCC[C@@H](CCC[NH3+])C1 ZINC001255566236 987021988 /nfs/dbraw/zinc/02/19/88/987021988.db2.gz DXHONKYZFFNOSE-OLZOCXBDSA-N 2 0 228.380 1.862 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@H]1CO ZINC001255958066 987100709 /nfs/dbraw/zinc/10/07/09/987100709.db2.gz YECSTJSNPVKOGO-STQMWFEESA-N 2 0 228.380 1.564 20 0 BDADRP CC(C)(C)[C@@H](O)C[NH2+]CC1([NH3+])CCCC1 ZINC001245972970 987244510 /nfs/dbraw/zinc/24/45/10/987244510.db2.gz FZWZRTJLFYBHFP-JTQLQIEISA-N 2 0 214.353 1.255 20 0 BDADRP CCCCC[C@H](O)C[NH2+]C[C@H]1CC[C@H](C)[NH2+]C1 ZINC001245974337 987254669 /nfs/dbraw/zinc/25/46/69/987254669.db2.gz MFLLGOSXYJEBBV-MJBXVCDLSA-N 2 0 242.407 1.905 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1C[NH2+]C[C@@H](O)c1ccccc1 ZINC001245981670 987257802 /nfs/dbraw/zinc/25/78/02/987257802.db2.gz IPDRJSCNILMZDC-AEGPPILISA-N 2 0 248.370 1.698 20 0 BDADRP CC(C)[C@@H](O)C[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001245981749 987261725 /nfs/dbraw/zinc/26/17/25/987261725.db2.gz QLMKHIDYWOMFLN-OLZOCXBDSA-N 2 0 240.391 1.515 20 0 BDADRP CC[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)C[C@H]1O ZINC000691358412 987282815 /nfs/dbraw/zinc/28/28/15/987282815.db2.gz HLWURWGAZLVAFC-CHWSQXEVSA-N 2 0 226.364 1.031 20 0 BDADRP CC(C)[C@H](O)C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246018622 987305992 /nfs/dbraw/zinc/30/59/92/987305992.db2.gz FZZPMTQBFCKVPS-NEPJUHHUSA-N 2 0 214.353 1.207 20 0 BDADRP CCC[C@@H](O)C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246020752 987306174 /nfs/dbraw/zinc/30/61/74/987306174.db2.gz LSMZBBRCHVRZRU-NEPJUHHUSA-N 2 0 232.343 1.300 20 0 BDADRP CCCC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001246024439 987317158 /nfs/dbraw/zinc/31/71/58/987317158.db2.gz VRLLHPBILBQEMA-RDBSUJKOSA-N 2 0 242.407 1.844 20 0 BDADRP C[N@H+](CCCC1CC1)CCOCC[NH3+] ZINC000400722445 987318120 /nfs/dbraw/zinc/31/81/20/987318120.db2.gz HQGHGVSYNHJLCO-UHFFFAOYSA-N 2 0 200.326 1.084 20 0 BDADRP CCCC[C@@H](O)C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246025897 987323663 /nfs/dbraw/zinc/32/36/63/987323663.db2.gz ZVYORYVLUQYZCG-CHWSQXEVSA-N 2 0 228.380 1.741 20 0 BDADRP CCC[C@@H](O)C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246031534 987329511 /nfs/dbraw/zinc/32/95/11/987329511.db2.gz QWSZTPBRLQGQTR-CHWSQXEVSA-N 2 0 226.364 1.365 20 0 BDADRP C[N@H+](C[C@@H]1CCOC1)C[C@H]1CCCC[NH2+]C1 ZINC000697034964 987346836 /nfs/dbraw/zinc/34/68/36/987346836.db2.gz QBRBQAWHPBABHV-STQMWFEESA-N 2 0 226.364 1.344 20 0 BDADRP C1[NH2+]CC12C[C@@H]([NH2+]C1CCCCC1)CCN2 ZINC001246068170 987357499 /nfs/dbraw/zinc/35/74/99/987357499.db2.gz YZDNGCQGMZIMMO-LBPRGKRZSA-N 2 0 223.364 1.003 20 0 BDADRP [NH3+]C[C@H](N[C@@H]1CCCC[NH2+]C1)c1ccccc1 ZINC001246074278 987364641 /nfs/dbraw/zinc/36/46/41/987364641.db2.gz CDTPKLZBIVRPKZ-KGLIPLIRSA-N 2 0 233.359 1.418 20 0 BDADRP C[C@@H]1CC(N[C@H](C[NH3+])c2ccccc2)C[C@@H](C)[NH2+]1 ZINC001246079544 987371775 /nfs/dbraw/zinc/37/17/75/987371775.db2.gz ZYEWZEJMPBLJJG-LALPHHSUSA-N 2 0 247.386 1.805 20 0 BDADRP O=C1C[C@@H]2CC([NH2+]C3CC[NH2+]CC3)C[C@H]2C1 ZINC001246082047 987376472 /nfs/dbraw/zinc/37/64/72/987376472.db2.gz VQVPYWCOAFQHAI-UWVGGRQHSA-N 2 0 222.332 1.086 20 0 BDADRP C[C@H](Cc1cccnc1)[NH2+]C1CC[NH2+]CC1 ZINC001246081994 987378264 /nfs/dbraw/zinc/37/82/64/987378264.db2.gz VEZYFUFBHUNXPQ-LLVKDONJSA-N 2 0 219.332 1.354 20 0 BDADRP C[C@@H](Cc1cccnc1)[NH2+]C1CC[NH2+]CC1 ZINC001246081999 987378679 /nfs/dbraw/zinc/37/86/79/987378679.db2.gz VEZYFUFBHUNXPQ-NSHDSACASA-N 2 0 219.332 1.354 20 0 BDADRP C[C@H]1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[NH2+]1 ZINC001246084671 987381044 /nfs/dbraw/zinc/38/10/44/987381044.db2.gz LSBJOBJPPKAVQR-HTVCTNPSSA-N 2 0 237.391 1.342 20 0 BDADRP CCCC[C@@H](CC)[NH2+]C[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001246085585 987383694 /nfs/dbraw/zinc/38/36/94/987383694.db2.gz XVYHHUAYTMAGRY-FRRDWIJNSA-N 2 0 246.370 1.607 20 0 BDADRP Cc1ccc(C[NH3+])nc1N(C)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246086501 987385195 /nfs/dbraw/zinc/38/51/95/987385195.db2.gz CODZTIGSSQLJFC-DGCLKSJQSA-N 2 0 248.374 1.425 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@H]2CCCC[NH2+]C2)CC1 ZINC001246089430 987395461 /nfs/dbraw/zinc/39/54/61/987395461.db2.gz FAOBLULRNASHCJ-MOKVOYLWSA-N 3 0 239.407 1.591 20 0 BDADRP COC[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)C(C)C ZINC001246090735 987397459 /nfs/dbraw/zinc/39/74/59/987397459.db2.gz YOZMGIPTIBMQMM-GRYCIOLGSA-N 2 0 214.353 1.388 20 0 BDADRP CC1(C)C[C@H]([NH2+][C@H]2CCCC[NH2+]C2)CCO1 ZINC001246092624 987401552 /nfs/dbraw/zinc/40/15/52/987401552.db2.gz SZHSHRZGDHNBEH-NEPJUHHUSA-N 2 0 226.364 1.676 20 0 BDADRP C[C@]1(C[NH2+][C@H]2CCCNC2)CCC[NH2+]CC1 ZINC001246093034 987402474 /nfs/dbraw/zinc/40/24/74/987402474.db2.gz GRCCZCBSMWTVKM-STQMWFEESA-N 2 0 225.380 1.108 20 0 BDADRP CC[NH+]1CCC(NC[C@@H]2C[NH2+]C[C@@H](C)C2)CC1 ZINC001246096248 987408056 /nfs/dbraw/zinc/40/80/56/987408056.db2.gz DQRGUPDNTJZSMX-STQMWFEESA-N 2 0 239.407 1.306 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+]C2CCSCC2)C[NH2+]1 ZINC001246096351 987408422 /nfs/dbraw/zinc/40/84/22/987408422.db2.gz MIYRNYHEFWKJQC-GHMZBOCLSA-N 2 0 228.405 1.860 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](CN[C@H]2CCC[N@H+](C)CC2)C1 ZINC001246097182 987409729 /nfs/dbraw/zinc/40/97/29/987409729.db2.gz GNWZFCUGTDUJNY-MJBXVCDLSA-N 2 0 239.407 1.306 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[NH2+]C[C@@H](C)C2)C1 ZINC001246098553 987413565 /nfs/dbraw/zinc/41/35/65/987413565.db2.gz JVELDMQJLMFHTL-RFQIPJPRSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@H]1CC[C@@H](C[NH2+]C2C[C@@H]3C=C[C@H](C2)O3)C[NH2+]1 ZINC001246099429 987418843 /nfs/dbraw/zinc/41/88/43/987418843.db2.gz QZTUFPDVBLLDDN-PJIALRRASA-N 2 0 236.359 1.450 20 0 BDADRP C[C@H](Cc1ccccn1)[NH2+]C[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001246099668 987418955 /nfs/dbraw/zinc/41/89/55/987418955.db2.gz MHGKPVFXXNFLMN-BFHYXJOUSA-N 2 0 247.386 1.848 20 0 BDADRP C[C@@H]1C[C@@H](NC[C@]2(C)CCCC[NH2+]C2)C[NH2+]1 ZINC001246099807 987420122 /nfs/dbraw/zinc/42/01/22/987420122.db2.gz MUQDWKMLCDFMNS-JHJVBQTASA-N 2 0 225.380 1.106 20 0 BDADRP C[C@H]1[NH2+]CC[C@H]1N[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246103904 987427982 /nfs/dbraw/zinc/42/79/82/987427982.db2.gz YXWGHYKFPAYHHB-LPWJVIDDSA-N 2 0 239.407 1.493 20 0 BDADRP C[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@@H](F)C2)CC[NH2+]1 ZINC001246102933 987429478 /nfs/dbraw/zinc/42/94/78/987429478.db2.gz UHCMVHZKZVOGRJ-ZDCRXTMVSA-N 2 0 200.301 1.607 20 0 BDADRP C[C@@H]1CC[C@H](CN[C@@H]2CC[NH2+][C@H](C)C2)[NH2+]C1 ZINC001246104422 987429590 /nfs/dbraw/zinc/42/95/90/987429590.db2.gz JQZAPIFUZRCCMN-FDYHWXHSSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+][C@H]1CCSC1 ZINC001246113865 987450104 /nfs/dbraw/zinc/45/01/04/987450104.db2.gz ULUDGPMYJUDADM-AXFHLTTASA-N 2 0 214.378 1.470 20 0 BDADRP C[C@@H]1C[C@H](NCc2ccc3c(c2)CC[NH2+]C3)C[NH2+]1 ZINC001246107944 987437102 /nfs/dbraw/zinc/43/71/02/987437102.db2.gz JEOHSAVEQWANTM-ABAIWWIYSA-N 2 0 245.370 1.172 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[NH2+]C[C@@H](C)C2)C[C@H](C)O1 ZINC001246106523 987438146 /nfs/dbraw/zinc/43/81/46/987438146.db2.gz XZTZXYJNKPLYHG-QNSTZXKLSA-N 2 0 240.391 1.778 20 0 BDADRP C[C@@H]1C[C@@H](NCc2ccc3c(c2)CC[NH2+]C3)C[NH2+]1 ZINC001246107946 987438686 /nfs/dbraw/zinc/43/86/86/987438686.db2.gz JEOHSAVEQWANTM-IAQYHMDHSA-N 2 0 245.370 1.172 20 0 BDADRP C[NH2+]C1CCC([NH2+]C[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC001246111396 987445125 /nfs/dbraw/zinc/44/51/25/987445125.db2.gz NXGKUMJTBYLCOU-MRFVTOPCSA-N 3 0 239.407 1.495 20 0 BDADRP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](F)C2)CC[NH2+]1 ZINC001246112439 987448924 /nfs/dbraw/zinc/44/89/24/987448924.db2.gz UHCMVHZKZVOGRJ-VLEAKVRGSA-N 2 0 200.301 1.607 20 0 BDADRP CC[C@@H]1C[C@@H](N[C@@H]2CCC[NH2+]C2)C[C@H](CC)[NH2+]1 ZINC001246113014 987449873 /nfs/dbraw/zinc/44/98/73/987449873.db2.gz WLHSWKXOTLWWCX-XJFOESAGSA-N 2 0 239.407 1.637 20 0 BDADRP CCCC[C@H]1C[C@H](N[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246113709 987450957 /nfs/dbraw/zinc/45/09/57/987450957.db2.gz ZDHMYRXJONHBJC-BFHYXJOUSA-N 2 0 239.407 1.639 20 0 BDADRP CCCC[C@@H]1C[C@H](N[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246113713 987451455 /nfs/dbraw/zinc/45/14/55/987451455.db2.gz ZDHMYRXJONHBJC-MGPQQGTHSA-N 2 0 239.407 1.639 20 0 BDADRP CCCC[C@H]1C[C@H](N[C@H]2C[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC001246113573 987451788 /nfs/dbraw/zinc/45/17/88/987451788.db2.gz DDRBFCDBDCVHSA-FQUUOJAGSA-N 2 0 239.407 1.495 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC001246114401 987452574 /nfs/dbraw/zinc/45/25/74/987452574.db2.gz WGTLWNHHMMEBTL-ZOBORPQBSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]1C[C@@H](NC[C@@]2(F)CCCC[NH2+]C2)CC[NH2+]1 ZINC001246114543 987452678 /nfs/dbraw/zinc/45/26/78/987452678.db2.gz PXNWIOSHPIESOY-FRRDWIJNSA-N 2 0 243.370 1.198 20 0 BDADRP CCCC[C@H]1C[C@H](NCCC[NH2+]C)CC[NH2+]1 ZINC001246114936 987454402 /nfs/dbraw/zinc/45/44/02/987454402.db2.gz QKNXDBKLCWKAQC-QWHCGFSZSA-N 2 0 227.396 1.496 20 0 BDADRP C[C@H]1C[NH2+]C[C@H]1N[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246118087 987464903 /nfs/dbraw/zinc/46/49/03/987464903.db2.gz VJOOIJKFINVKAI-UMSGYPCISA-N 2 0 239.407 1.351 20 0 BDADRP CC1(N[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C[NH2+]C1 ZINC001246127728 987477326 /nfs/dbraw/zinc/47/73/26/987477326.db2.gz MXFXUYZCVVKRFY-UONOGXRCSA-N 2 0 245.370 1.431 20 0 BDADRP CC[C@@H]1C[C@@H](N[C@H]2CCC[NH2+]C2)C[C@H](CC)[NH2+]1 ZINC001246130837 987482238 /nfs/dbraw/zinc/48/22/38/987482238.db2.gz WLHSWKXOTLWWCX-CRWXNKLISA-N 2 0 239.407 1.637 20 0 BDADRP C1[NH2+]C[C@H]2CCC[C@@H](N[C@@H]3CCCC[NH2+]C3)[C@@H]12 ZINC001246142920 987497589 /nfs/dbraw/zinc/49/75/89/987497589.db2.gz CLCDTOXEMKPITM-YIYPIFLZSA-N 2 0 237.391 1.106 20 0 BDADRP c1cc2c(s1)[C@H](NC1CC[NH2+]CC1)C[NH2+]C2 ZINC001246140561 987499018 /nfs/dbraw/zinc/49/90/18/987499018.db2.gz GGDXTUHMMOJKDU-LLVKDONJSA-N 2 0 237.372 1.234 20 0 BDADRP C[C@H]1CC([NH2+][C@H]2CO[C@@H]3C[NH2+]C[C@H]23)C[C@H](C)C1 ZINC001246145474 987501521 /nfs/dbraw/zinc/50/15/21/987501521.db2.gz CLEYYNCKUVHZMG-NBUWXKEQSA-N 2 0 238.375 1.388 20 0 BDADRP CCC[C@H](C)[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001246147002 987503386 /nfs/dbraw/zinc/50/33/86/987503386.db2.gz PCOOTLKPKGZZCC-QWHCGFSZSA-N 2 0 239.407 1.639 20 0 BDADRP CC[C@H](C)[C@@H](CO)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC001246150628 987507294 /nfs/dbraw/zinc/50/72/94/987507294.db2.gz ANBSPIWTOCEYRE-IRCOFANPSA-N 2 0 214.353 1.124 20 0 BDADRP CC(C)CC[C@@H](C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@@H]1COC2 ZINC001246151048 987513767 /nfs/dbraw/zinc/51/37/67/987513767.db2.gz VLTSQVMNLOFHTK-MQYQWHSLSA-N 2 0 240.391 1.635 20 0 BDADRP CC[C@H](C)[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246152695 987514391 /nfs/dbraw/zinc/51/43/91/987514391.db2.gz LESWODHZYFBVFH-GVWAJWJKSA-N 2 0 226.364 1.266 20 0 BDADRP CCCC[N@H+](CC)CCN[C@@H]1CCCC[NH2+]C1 ZINC001246161312 987521750 /nfs/dbraw/zinc/52/17/50/987521750.db2.gz JFRCPGVIUAADKM-CQSZACIVSA-N 2 0 241.423 1.840 20 0 BDADRP C(N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1CCCC[NH2+]1 ZINC001246168221 987535097 /nfs/dbraw/zinc/53/50/97/987535097.db2.gz IJEBPRCXAKTATC-OLZOCXBDSA-N 2 0 237.391 1.393 20 0 BDADRP C[NH+](C)Cc1cccc(CN[C@@H]2CCC[NH2+]C2)c1 ZINC001246172886 987537456 /nfs/dbraw/zinc/53/74/56/987537456.db2.gz DMFMXVFURSNMQI-OAHLLOKOSA-N 3 0 247.386 1.590 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCCCC[NH+](C)C)CC[NH2+]1 ZINC001246173628 987537927 /nfs/dbraw/zinc/53/79/27/987537927.db2.gz URQDXSIJMGEGMR-QWHCGFSZSA-N 3 0 227.396 1.448 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)CN1 ZINC001246177202 987546753 /nfs/dbraw/zinc/54/67/53/987546753.db2.gz RTKCWCWDZAKHLI-HZSPNIEDSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)CN1 ZINC001246177207 987550328 /nfs/dbraw/zinc/55/03/28/987550328.db2.gz RTKCWCWDZAKHLI-RDBSUJKOSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H]1C[C@@H](n2ccc3cc(C[NH3+])cnc32)CC[NH2+]1 ZINC001246182911 987556795 /nfs/dbraw/zinc/55/67/95/987556795.db2.gz BOLGJIMLRRHGJY-GWCFXTLKSA-N 2 0 244.342 1.808 20 0 BDADRP COC(=O)CCCC[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC001246186097 987565851 /nfs/dbraw/zinc/56/58/51/987565851.db2.gz DZXQRPMPPGFHRO-VXGBXAGGSA-N 2 0 242.363 1.450 20 0 BDADRP CC[C@@H]1C[C@@H](NC[C@@H]2CCC[NH2+]2)C[C@H](CC)[NH2+]1 ZINC001246187730 987569777 /nfs/dbraw/zinc/56/97/77/987569777.db2.gz CYSSONGYVXUSFR-CRWXNKLISA-N 2 0 239.407 1.637 20 0 BDADRP CC(C)(C)[C@@H]1C[C@H](NC[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC001246188425 987571986 /nfs/dbraw/zinc/57/19/86/987571986.db2.gz XBJQETFGDJIMSF-UPJWGTAASA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H]1C[C@@H](N[C@]2(C)CCC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC001246188063 987574604 /nfs/dbraw/zinc/57/46/04/987574604.db2.gz HKWTWRGCNFZDCR-YVECIDJPSA-N 2 0 225.380 1.247 20 0 BDADRP C[C@@H]1CC[C@@H](N[C@H]2CCC[N@H+](C)CC2)C[NH2+]1 ZINC001246190066 987576722 /nfs/dbraw/zinc/57/67/22/987576722.db2.gz OTEGNHNIELYWQX-FRRDWIJNSA-N 2 0 225.380 1.201 20 0 BDADRP CCCC[C@@H]1C[C@H](NC[C@H]2CC[NH2+]2)CC[NH2+]1 ZINC001246195572 987584287 /nfs/dbraw/zinc/58/42/87/987584287.db2.gz XYGXEDGDEFFXNI-JHJVBQTASA-N 2 0 225.380 1.249 20 0 BDADRP C([NH2+]C1C[C@H]2CC[C@@H](C1)O2)[C@H]1CCC[NH2+]C1 ZINC001246195718 987592281 /nfs/dbraw/zinc/59/22/81/987592281.db2.gz BXGORXOGXVYACM-WODVXLOZSA-N 2 0 224.348 1.286 20 0 BDADRP COCC1([NH2+][C@H]2CC[NH2+][C@@H](C)C2)CCC1 ZINC001246196511 987592332 /nfs/dbraw/zinc/59/23/32/987592332.db2.gz SXWSAZXVQCKJRN-QWRGUYRKSA-N 2 0 212.337 1.286 20 0 BDADRP CC1(C)C[C@H](NC[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246197744 987592653 /nfs/dbraw/zinc/59/26/53/987592653.db2.gz LMCZQUXWPJNGEN-VXGBXAGGSA-N 2 0 225.380 1.106 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC[C@H]1CCC[NH2+]C1)C2 ZINC001246199577 987593845 /nfs/dbraw/zinc/59/38/45/987593845.db2.gz XIIYOPHLNIKOQY-FQUUOJAGSA-N 2 0 237.391 1.201 20 0 BDADRP C[N@@H+]1CCC[C@@H](N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001246204692 987598982 /nfs/dbraw/zinc/59/89/82/987598982.db2.gz KPLYMHLQZRLPHN-JHJVBQTASA-N 3 0 225.380 1.330 20 0 BDADRP C[C@@H](Cc1cccnc1)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC001246203696 987599619 /nfs/dbraw/zinc/59/96/19/987599619.db2.gz DEECSDMXUMHLEH-IACUBPJLSA-N 2 0 233.359 1.872 20 0 BDADRP COC(=O)CCCCC[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC001246203001 987599724 /nfs/dbraw/zinc/59/97/24/987599724.db2.gz UXAPPCVZCYRNEK-NEPJUHHUSA-N 2 0 242.363 1.450 20 0 BDADRP CCCC[C@@H](CO)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC001246212619 987610047 /nfs/dbraw/zinc/61/00/47/987610047.db2.gz VZBPKWIJDXLMLG-UTUOFQBUSA-N 2 0 214.353 1.268 20 0 BDADRP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CO)CC2)CC[NH2+]1 ZINC001246222150 987619578 /nfs/dbraw/zinc/61/95/78/987619578.db2.gz LHVKJBGWSDHBDT-RVMXOQNASA-N 2 0 226.364 1.268 20 0 BDADRP C[C@H]1C[C@@H](N[C@H](CCO)c2ccccc2)CC[NH2+]1 ZINC001246228061 987625194 /nfs/dbraw/zinc/62/51/94/987625194.db2.gz MLMOBQUBORMILM-AEGPPILISA-N 2 0 248.370 1.840 20 0 BDADRP CCOC(CC[NH2+][C@H]1CC[NH2+][C@@H](C)C1)OCC ZINC001246234897 987632581 /nfs/dbraw/zinc/63/25/81/987632581.db2.gz WKPVPCANQPUYTO-RYUDHWBXSA-N 2 0 244.379 1.506 20 0 BDADRP [NH3+]CC[C@@H]1CN([C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC001246234465 987633175 /nfs/dbraw/zinc/63/31/75/987633175.db2.gz IJONKEWURHFTCX-CHWSQXEVSA-N 2 0 245.370 1.691 20 0 BDADRP C[C@H]1C[C@H]([NH2+][C@@H](CO)C(C)(C)C)CC[NH2+]1 ZINC001246236563 987635170 /nfs/dbraw/zinc/63/51/70/987635170.db2.gz PWOZYAPOQBAOQI-AXFHLTTASA-N 2 0 214.353 1.124 20 0 BDADRP C[C@@H]1C[C@@H]([N@H+](C)C2CCC([NH3+])CC2)CC[NH2+]1 ZINC001246238729 987638373 /nfs/dbraw/zinc/63/83/73/987638373.db2.gz ZGIIDMFQWOQJOS-XVSSEFHLSA-N 3 0 225.380 1.329 20 0 BDADRP C[C@@H]1CC[C@@H](n2cc3c(n2)CC[C@H]([NH3+])C3)C[NH2+]1 ZINC001246239514 987639124 /nfs/dbraw/zinc/63/91/24/987639124.db2.gz RSZOZHPERUVJRH-ADEWGFFLSA-N 2 0 234.347 1.012 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCOc2ccccn2)CC[NH2+]1 ZINC001246257981 987655879 /nfs/dbraw/zinc/65/58/79/987655879.db2.gz ZMOIXBJGRXRDBF-NWDGAFQWSA-N 2 0 235.331 1.191 20 0 BDADRP CCC[NH2+]CC[NH2+]C1CCC2(C[NH2+]C2)CC1 ZINC001246270372 987665253 /nfs/dbraw/zinc/66/52/53/987665253.db2.gz OEALUINCKKXUQE-UHFFFAOYSA-N 3 0 225.380 1.108 20 0 BDADRP CC[NH2+]CCN[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246272787 987665857 /nfs/dbraw/zinc/66/58/57/987665857.db2.gz NRIHSPUVKPFJAK-CYBMUJFWSA-N 2 0 239.407 1.640 20 0 BDADRP CC[C@@H]1CC(N[C@@H]2CCC[C@@H]2[NH3+])C[C@@H](CC)[NH2+]1 ZINC001246279321 987672552 /nfs/dbraw/zinc/67/25/52/987672552.db2.gz MQIIKAYRXCSHRA-MHDGFBEUSA-N 2 0 239.407 1.765 20 0 BDADRP CC(C)CC(CC(C)C)[NH2+]CCN(C)CC[NH3+] ZINC001246284495 987679927 /nfs/dbraw/zinc/67/99/27/987679927.db2.gz OBGGCSXNLBTWBX-UHFFFAOYSA-N 2 0 243.439 1.927 20 0 BDADRP CC(C)OC(=O)CC[C@@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC001246299160 987694204 /nfs/dbraw/zinc/69/42/04/987694204.db2.gz GGHWJTARUQZRSX-WDEREUQCSA-N 2 0 230.352 1.434 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@H]1CCOC(C)(C)C1 ZINC001246302664 987700988 /nfs/dbraw/zinc/70/09/88/987700988.db2.gz ADXOZKQDNSSIPM-UWVGGRQHSA-N 2 0 200.326 1.271 20 0 BDADRP C[C@@H]([NH3+])CC[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246303848 987701878 /nfs/dbraw/zinc/70/18/78/987701878.db2.gz JRYIBGGYPDUXSC-GFCCVEGCSA-N 3 0 239.407 1.626 20 0 BDADRP C[C@H]1C[C@@H](NC[C@@H]([NH3+])Cc2ccccc2)CC[NH2+]1 ZINC001246302967 987702255 /nfs/dbraw/zinc/70/22/55/987702255.db2.gz DLDIAROUXAHFNV-QEJZJMRPSA-N 2 0 247.386 1.287 20 0 BDADRP CC(C)OCC[C@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC001246305796 987703777 /nfs/dbraw/zinc/70/37/77/987703777.db2.gz OFALKZOGLSSSIV-QWRGUYRKSA-N 2 0 202.342 1.517 20 0 BDADRP CC[C@H]1CC(NCC[C@H](C)[NH3+])C[C@H](CC)[NH2+]1 ZINC001246306659 987703804 /nfs/dbraw/zinc/70/38/04/987703804.db2.gz RHFBROUPAIWLTA-SRVKXCTJSA-N 2 0 227.396 1.623 20 0 BDADRP CC[C@@H]1C[C@@H](NCC[C@H](C)[NH3+])C[C@H](CC)[NH2+]1 ZINC001246306658 987704729 /nfs/dbraw/zinc/70/47/29/987704729.db2.gz RHFBROUPAIWLTA-RVMXOQNASA-N 2 0 227.396 1.623 20 0 BDADRP CC(C)COCC[C@@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC001246305875 987705786 /nfs/dbraw/zinc/70/57/86/987705786.db2.gz OOZOMIAJXQRLEE-NWDGAFQWSA-N 2 0 216.369 1.765 20 0 BDADRP CC[C@H]([NH3+])C[NH2+]C1CCC2(COC2)CC1 ZINC001246312163 987715258 /nfs/dbraw/zinc/71/52/58/987715258.db2.gz GLIZFVACUUFTLH-JTQLQIEISA-N 2 0 212.337 1.273 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@H](C)CCOC(C)C ZINC001246313750 987715738 /nfs/dbraw/zinc/71/57/38/987715738.db2.gz KUWZQWMFWHHJRY-GHMZBOCLSA-N 2 0 202.342 1.517 20 0 BDADRP CC[C@@H]([NH3+])CNC1CC[NH+](CC(C)C)CC1 ZINC001246315918 987719831 /nfs/dbraw/zinc/71/98/31/987719831.db2.gz XSDDBYOJTGXRKQ-GFCCVEGCSA-N 2 0 227.396 1.434 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+]C1Cc2cc(F)c(F)cc2C1 ZINC001246315371 987719951 /nfs/dbraw/zinc/71/99/51/987719951.db2.gz TUBRZHZIFRHOPK-SNVBAGLBSA-N 2 0 240.297 1.759 20 0 BDADRP CC[C@H]([NH3+])CN[C@@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246316103 987722231 /nfs/dbraw/zinc/72/22/31/987722231.db2.gz XXRMFVONXTWCSZ-RVMXOQNASA-N 2 0 227.396 1.623 20 0 BDADRP CC[C@@H](CN)[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246319236 987723470 /nfs/dbraw/zinc/72/34/70/987723470.db2.gz UBHFNLZWDGWWEZ-HSBZDZAISA-N 2 0 239.407 1.626 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+]C1CCC2(CC[NH2+]C2)CC1 ZINC001246317601 987725419 /nfs/dbraw/zinc/72/54/19/987725419.db2.gz OAFMEXSFWXHOFS-PNESKVBLSA-N 3 0 225.380 1.236 20 0 BDADRP CCCc1cc(C[NH3+])nn1[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246320939 987727192 /nfs/dbraw/zinc/72/71/92/987727192.db2.gz LSEHPBGNNYNAMD-GWCFXTLKSA-N 2 0 236.363 1.607 20 0 BDADRP CC(C)[C@H]1C[C@@H](N[C@@H]2CCC[NH2+][C@@H]2C)CC[NH2+]1 ZINC001246323546 987728067 /nfs/dbraw/zinc/72/80/67/987728067.db2.gz BBFHFFXUEFWZJC-XJFOESAGSA-N 2 0 239.407 1.493 20 0 BDADRP CCCC[C@@H]1C[C@@H](NC[C@@H](C)C[NH3+])CC[NH2+]1 ZINC001246327382 987732185 /nfs/dbraw/zinc/73/21/85/987732185.db2.gz NCVGNSLBSUWUBG-XQQFMLRXSA-N 2 0 227.396 1.482 20 0 BDADRP C[C@H]1C[C@@H](Nc2cccnc2C[NH3+])CC[NH2+]1 ZINC001246328520 987734416 /nfs/dbraw/zinc/73/44/16/987734416.db2.gz YQZHLRFOKZSCBV-UWVGGRQHSA-N 2 0 220.320 1.093 20 0 BDADRP C[C@H]1C[C@H](N[C@@]23CC[C@@]([NH3+])(C2)CCC3)CC[NH2+]1 ZINC001246332340 987738241 /nfs/dbraw/zinc/73/82/41/987738241.db2.gz IHPRGWJLXNDQKY-DGAVXFQQSA-N 2 0 237.391 1.521 20 0 BDADRP C[C@H]1C[C@@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC001246331792 987740160 /nfs/dbraw/zinc/74/01/60/987740160.db2.gz JNTFFYCTQQXZDO-PDWCTOEPSA-N 2 0 237.391 1.390 20 0 BDADRP C1[C@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C12CCCCC2 ZINC001246336629 987744873 /nfs/dbraw/zinc/74/48/73/987744873.db2.gz UZISYCIVFARGJP-STQMWFEESA-N 2 0 249.402 1.393 20 0 BDADRP C[C@@H]1C[C@@H](NCC[NH+]2CCC(F)CC2)CC[NH2+]1 ZINC001246338679 987748030 /nfs/dbraw/zinc/74/80/30/987748030.db2.gz ADKBBGGCLPABHL-YPMHNXCESA-N 2 0 243.370 1.150 20 0 BDADRP [NH3+][C@@]12CC[C@@](N[C@@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)(C1)CCC2 ZINC001246342040 987751717 /nfs/dbraw/zinc/75/17/17/987751717.db2.gz QSIYZYUZBUMDTG-AIEDFZFUSA-N 2 0 249.402 1.663 20 0 BDADRP COC(CCC[NH2+][C@@H]1CC[NH2+][C@H](C)C1)OC ZINC001246342453 987753635 /nfs/dbraw/zinc/75/36/35/987753635.db2.gz OWPXGMDAPAEACE-GHMZBOCLSA-N 2 0 230.352 1.116 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCCc2cccc(N)c2)CC[NH2+]1 ZINC001246347016 987756248 /nfs/dbraw/zinc/75/62/48/987756248.db2.gz FXILNZCSXHBTTG-IUODEOHRSA-N 2 0 247.386 1.932 20 0 BDADRP CC(C)(C)[C@H]1C[C@H](NC2(C[NH3+])CCC2)CC[NH2+]1 ZINC001246356747 987765706 /nfs/dbraw/zinc/76/57/06/987765706.db2.gz QGSVIYRVMKRIJF-VXGBXAGGSA-N 2 0 239.407 1.624 20 0 BDADRP CC(C)C[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246360214 987768209 /nfs/dbraw/zinc/76/82/09/987768209.db2.gz GKKFPHZWAWNZGQ-MJBXVCDLSA-N 2 0 239.407 1.447 20 0 BDADRP CC(C)C[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246360213 987768579 /nfs/dbraw/zinc/76/85/79/987768579.db2.gz GKKFPHZWAWNZGQ-MCIONIFRSA-N 2 0 239.407 1.447 20 0 BDADRP CC[C@@H]1CC(NC2(C[NH3+])CCC2)C[C@@H](CC)[NH2+]1 ZINC001246358007 987769381 /nfs/dbraw/zinc/76/93/81/987769381.db2.gz XYFNFJXOBFBDLM-VXGBXAGGSA-N 2 0 239.407 1.767 20 0 BDADRP CC[NH+]1CCC(C[N@H+]2C[C@H](O)C[C@H](C)C2)CC1 ZINC001474583985 987770963 /nfs/dbraw/zinc/77/09/63/987770963.db2.gz YYACVIPCUMFVSQ-GXTWGEPZSA-N 2 0 240.391 1.421 20 0 BDADRP CC(C)(C)[C@@H]1C[C@H](NC(C)(C)CC[NH3+])CC[NH2+]1 ZINC001246363994 987773573 /nfs/dbraw/zinc/77/35/73/987773573.db2.gz RLEUFCCYBHLACJ-NEPJUHHUSA-N 2 0 241.423 1.870 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C2CCC3(C[NH2+]C3)CC2)CC[NH2+]1 ZINC001246379272 987775478 /nfs/dbraw/zinc/77/54/78/987775478.db2.gz MOFPKESKSVYZKN-DGCLKSJQSA-N 3 0 237.391 1.249 20 0 BDADRP C[NH2+]CC[C@H](C)NC1(CC2CC2)CC[NH2+]CC1 ZINC001246388675 987778420 /nfs/dbraw/zinc/77/84/20/987778420.db2.gz MPKWJXIZBQXWHO-LBPRGKRZSA-N 2 0 239.407 1.496 20 0 BDADRP CC(C)C[C@@H](C)C[C@H](C)[NH2+]CCNCC[NH3+] ZINC001246407252 987786122 /nfs/dbraw/zinc/78/61/22/987786122.db2.gz XRUJKLFLXTVAJL-OLZOCXBDSA-N 2 0 229.412 1.585 20 0 BDADRP CCCC[C@@H](CC)[NH2+]CCNCC[NH3+] ZINC001246404383 987786471 /nfs/dbraw/zinc/78/64/71/987786471.db2.gz IZCGQIOAWATUJB-LLVKDONJSA-N 2 0 201.358 1.093 20 0 BDADRP C[C@@H]1CCC[C@@H]([NH2+]CCCC[C@H]([NH3+])C(N)=O)C1 ZINC001246412370 987791697 /nfs/dbraw/zinc/79/16/97/987791697.db2.gz CCLYATWGFWPCKV-UTUOFQBUSA-N 2 0 241.379 1.138 20 0 BDADRP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC12C[NH2+]C2 ZINC001246442842 987793938 /nfs/dbraw/zinc/79/39/38/987793938.db2.gz FBEBONDSKPVAJP-ZWNOBZJWSA-N 2 0 234.318 1.708 20 0 BDADRP Cc1cccnc1C1(CN[C@H]2CCC[NH2+]C2)CC1 ZINC001246441124 987800187 /nfs/dbraw/zinc/80/01/87/987800187.db2.gz YOMAFFNFRZKBDO-ZDUSSCGKSA-N 2 0 245.370 1.763 20 0 BDADRP c1ccc2c(c1)CCC([NH2+][C@H]1CC13C[NH2+]C3)CC2 ZINC001246442996 987803307 /nfs/dbraw/zinc/80/33/07/987803307.db2.gz FNNDVTCDFROFDR-HNNXBMFYSA-N 2 0 242.366 1.886 20 0 BDADRP C1[C@@H]([NH2+]C2CCC3(CCC[NH2+]C3)CC2)C12C[NH2+]C2 ZINC001246445150 987803659 /nfs/dbraw/zinc/80/36/59/987803659.db2.gz MVLBKOKDHKUDAV-ROKHWSDSSA-N 3 0 249.402 1.250 20 0 BDADRP COc1ccccc1C[C@H](C)[NH2+][C@H]1CC12C[NH2+]C2 ZINC001246446858 987806407 /nfs/dbraw/zinc/80/64/07/987806407.db2.gz ULYKQLFWYIWGSK-FZMZJTMJSA-N 2 0 246.354 1.578 20 0 BDADRP C[C@@H]1CC[C@H](n2c(C[NH3+])nc3cnccc32)C[NH2+]1 ZINC001246450695 987808849 /nfs/dbraw/zinc/80/88/49/987808849.db2.gz YNPVBAQLABSQTO-ZJUUUORDSA-N 2 0 245.330 1.203 20 0 BDADRP CC1(C)CCC([NH2+]CCCNCCC[NH3+])CC1 ZINC001246451151 987808978 /nfs/dbraw/zinc/80/89/78/987808978.db2.gz FTLACVLUVKKWEU-UHFFFAOYSA-N 2 0 241.423 1.873 20 0 BDADRP Fc1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH2+]CC1)C2 ZINC001246452275 987809633 /nfs/dbraw/zinc/80/96/33/987809633.db2.gz JNTLIENOWPOSCY-AWEZNQCLSA-N 2 0 234.318 1.635 20 0 BDADRP CCCC[C@@H](C)[NH2+]CCC[NH2+]CCCC[NH3+] ZINC001246455005 987809869 /nfs/dbraw/zinc/80/98/69/987809869.db2.gz CUGZBOONRIFRQH-CYBMUJFWSA-N 3 0 229.412 1.873 20 0 BDADRP C[C@@H]1CCC[C@@H]([NH2+]CCC[NH2+]CCCC[NH3+])C1 ZINC001246455966 987811881 /nfs/dbraw/zinc/81/18/81/987811881.db2.gz HAMQBZYTJIBTGJ-ZIAGYGMSSA-N 3 0 241.423 1.873 20 0 BDADRP C[C@@H]1CCC[C@H]([NH2+]CCC[NH2+]CCCC[NH3+])C1 ZINC001246455963 987813970 /nfs/dbraw/zinc/81/39/70/987813970.db2.gz HAMQBZYTJIBTGJ-KGLIPLIRSA-N 3 0 241.423 1.873 20 0 BDADRP CC[C@@]1(CN[C@@H]2CC[NH2+][C@H](C)C2)CCC[NH2+]1 ZINC001246456557 987814508 /nfs/dbraw/zinc/81/45/08/987814508.db2.gz MOSHOMJRZVYPRE-UPJWGTAASA-N 2 0 225.380 1.249 20 0 BDADRP C[NH2+][C@H]1C[C@H](N[C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)C1 ZINC001246459313 987816838 /nfs/dbraw/zinc/81/68/38/987816838.db2.gz FFWHMGLNKABFJJ-LPWJVIDDSA-N 2 0 239.407 1.493 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCC[C@H]2O)CN1 ZINC001246463307 987823734 /nfs/dbraw/zinc/82/37/34/987823734.db2.gz FXMIMXPHYXFWCZ-FDYHWXHSSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCN3)CC[NH2+]1 ZINC001246470970 987829174 /nfs/dbraw/zinc/82/91/74/987829174.db2.gz ARYOVPBADKYANG-BXUZGUMPSA-N 2 0 245.370 1.885 20 0 BDADRP F[C@H]1C[NH2+]CC[C@H]1C[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001246476702 987834945 /nfs/dbraw/zinc/83/49/45/987834945.db2.gz LVOLMJZIXDYQHS-HGCLJGPKSA-N 2 0 212.312 1.322 20 0 BDADRP CC[C@H]1C[C@H]([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)CC[NH2+]1 ZINC001246475973 987835493 /nfs/dbraw/zinc/83/54/93/987835493.db2.gz IKIWYUYPWPUASS-RVMXOQNASA-N 3 0 243.370 1.054 20 0 BDADRP C[C@H]1C[C@@H]([NH2+][C@H]2CCCC[C@H]2[NH3+])CCO1 ZINC001246479884 987838914 /nfs/dbraw/zinc/83/89/14/987838914.db2.gz VQJFCBHBIZSYDV-YFKTTZPYSA-N 2 0 212.337 1.413 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCC[C@H]2[NH3+])C1 ZINC001246479922 987839025 /nfs/dbraw/zinc/83/90/25/987839025.db2.gz WHHVMMDULLOLCW-LPWJVIDDSA-N 2 0 226.364 1.804 20 0 BDADRP CC(C)[C@H]1C[C@H](N[C@@H]2C[NH2+]CC[C@@H]2F)CC[NH2+]1 ZINC001246481722 987840508 /nfs/dbraw/zinc/84/05/08/987840508.db2.gz JZJRQLMLBRJPPO-YVECIDJPSA-N 2 0 243.370 1.053 20 0 BDADRP CCCC(C[NH3+])(CCC)N[C@@H]1C[NH2+][C@H](C)C1 ZINC001246496832 987850116 /nfs/dbraw/zinc/85/01/16/987850116.db2.gz QEANXSGPAXNQRM-NEPJUHHUSA-N 2 0 227.396 1.624 20 0 BDADRP CC(C)[C@@H]1C[C@H](N[C@@H]2C[NH2+]CC[C@H]2F)CC[NH2+]1 ZINC001246496666 987850129 /nfs/dbraw/zinc/85/01/29/987850129.db2.gz JZJRQLMLBRJPPO-FVCCEPFGSA-N 2 0 243.370 1.053 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CC[C@@H](O)c2ccccc2)CC[NH2+]1 ZINC001246498652 987854496 /nfs/dbraw/zinc/85/44/96/987854496.db2.gz JCJAFZJINCZHFL-AEGPPILISA-N 2 0 248.370 1.840 20 0 BDADRP CC(C)C[C@@H](C[NH3+])N[C@@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246501668 987857170 /nfs/dbraw/zinc/85/71/70/987857170.db2.gz BPEPJALSAZDJHR-HZSPNIEDSA-N 2 0 241.423 1.726 20 0 BDADRP C[C@H]1C[C@@H]([NH2+][C@@H]2CNc3ccccc3C2)CC[NH2+]1 ZINC001246507144 987858911 /nfs/dbraw/zinc/85/89/11/987858911.db2.gz XRWUOOZIBSGTBX-UBHSHLNASA-N 2 0 245.370 1.753 20 0 BDADRP [NH3+]C12CC([NH2+]C3CCC4(CCC[NH2+]C4)CC3)(C1)C2 ZINC001246506122 987859829 /nfs/dbraw/zinc/85/98/29/987859829.db2.gz VISVMDQVGYZZGW-UHFFFAOYSA-N 3 0 249.402 1.522 20 0 BDADRP CC[NH+]1CCC(N[C@H](C[NH3+])c2ccccc2)CC1 ZINC001246508710 987861015 /nfs/dbraw/zinc/86/10/15/987861015.db2.gz XRIIAYAMUBGWMN-OAHLLOKOSA-N 2 0 247.386 1.760 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H](C2CCC2)C2C[NH2+]C2)CC[NH2+]1 ZINC001246513320 987862492 /nfs/dbraw/zinc/86/24/92/987862492.db2.gz COMUAJFBBCBSOJ-HONMWMINSA-N 2 0 237.391 1.105 20 0 BDADRP CC[C@H]1C[C@H](N[C@H](C[NH3+])c2ccccc2)CC[NH2+]1 ZINC001246507339 987862891 /nfs/dbraw/zinc/86/28/91/987862891.db2.gz NQOFNBQCJHKAGR-RRFJBIMHSA-N 2 0 247.386 1.807 20 0 BDADRP CCC1(CC[NH2+][C@H]2CC[NH2+][C@H](C)C2)OCCO1 ZINC001246516251 987864471 /nfs/dbraw/zinc/86/44/71/987864471.db2.gz QYFYLMBPNGEVGO-NEPJUHHUSA-N 2 0 242.363 1.260 20 0 BDADRP C[NH2+]CCN(C)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246521637 987867694 /nfs/dbraw/zinc/86/76/94/987867694.db2.gz DBDDNKAEMFFWOH-RYUDHWBXSA-N 2 0 227.396 1.304 20 0 BDADRP CCCC[C@H]1C[C@H](N2CCC[NH2+]CC2)CC[NH2+]1 ZINC001246523208 987873151 /nfs/dbraw/zinc/87/31/51/987873151.db2.gz DLVUYQJXOWIESC-UONOGXRCSA-N 2 0 239.407 1.593 20 0 BDADRP COc1cccc(C[C@@H](C)N2CCC[NH2+]CC2)c1 ZINC001246524670 987876045 /nfs/dbraw/zinc/87/60/45/987876045.db2.gz NSYSPHVVACSROP-CYBMUJFWSA-N 2 0 248.370 1.922 20 0 BDADRP C1C[C@]2(C[NH2+]1)CCC[C@H]([N@@H+]1CCCNCC1)C2 ZINC001246525891 987877896 /nfs/dbraw/zinc/87/78/96/987877896.db2.gz SYYQZIDFKVMNAX-UONOGXRCSA-N 2 0 237.391 1.204 20 0 BDADRP CCCC[C@H]1C[C@H](N2C[C@@H](F)[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246526224 987878281 /nfs/dbraw/zinc/87/82/81/987878281.db2.gz NZQQLHGNIDZUOT-LOWDOPEQSA-N 2 0 243.370 1.278 20 0 BDADRP CCCC[C@@H]1C[C@H](N2CC[C@](C)([NH3+])C2)CC[NH2+]1 ZINC001246526262 987878990 /nfs/dbraw/zinc/87/89/90/987878990.db2.gz ACQZPXFDIXPAOP-MCIONIFRSA-N 2 0 239.407 1.720 20 0 BDADRP CCCC[C@@H]1C[C@H](N2CC[C@@](C)([NH3+])C2)CC[NH2+]1 ZINC001246526263 987879921 /nfs/dbraw/zinc/87/99/21/987879921.db2.gz ACQZPXFDIXPAOP-MGPQQGTHSA-N 2 0 239.407 1.720 20 0 BDADRP CCC[N@H+](CCOC)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246530930 987886860 /nfs/dbraw/zinc/88/68/60/987886860.db2.gz QKQLHFKBUFGZPQ-RYUDHWBXSA-N 2 0 214.353 1.485 20 0 BDADRP CC(C)[C@H]1C[C@H](N2C[C@@H]([NH3+])C3(CC3)C2)CC[NH2+]1 ZINC001246532269 987890955 /nfs/dbraw/zinc/89/09/55/987890955.db2.gz HKVHDZNXDCXKOD-JHJVBQTASA-N 2 0 237.391 1.186 20 0 BDADRP F[C@@H]1CC[N@@H+](C2CC[NH2+]CC2)CCC1(F)F ZINC001246535975 987895769 /nfs/dbraw/zinc/89/57/69/987895769.db2.gz BUSSWVYBYZBQEC-SNVBAGLBSA-N 2 0 236.281 1.808 20 0 BDADRP CCSC[C@H](C)[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246538310 987897284 /nfs/dbraw/zinc/89/72/84/987897284.db2.gz AWMZEIWFYBJBRI-WDEREUQCSA-N 2 0 216.394 1.941 20 0 BDADRP C[C@H]1CC[C@@H](C[NH3+])N1[C@@H]1CCC[N@H+](C)CC1 ZINC001246537795 987899443 /nfs/dbraw/zinc/89/94/43/987899443.db2.gz LFSXLHLKFONYIC-XQQFMLRXSA-N 2 0 225.380 1.282 20 0 BDADRP CCSC[C@@H](C)[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246538302 987899549 /nfs/dbraw/zinc/89/95/49/987899549.db2.gz AWMZEIWFYBJBRI-GHMZBOCLSA-N 2 0 216.394 1.941 20 0 BDADRP C[C@H]1C[N@@H+](C2C[C@@H]3CC(=O)C[C@H]3C2)C[C@H]1C[NH3+] ZINC001246540722 987904783 /nfs/dbraw/zinc/90/47/83/987904783.db2.gz JZJHKEFXXHPXBE-IRCOFANPSA-N 2 0 236.359 1.271 20 0 BDADRP CCOCC[C@H](C)[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001246541580 987907448 /nfs/dbraw/zinc/90/74/48/987907448.db2.gz MFGXFHMFEOQJJX-RYUDHWBXSA-N 2 0 214.353 1.615 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N2C[C@H](C)[C@H](C[NH3+])C2)CC[NH2+]1 ZINC001246542555 987910543 /nfs/dbraw/zinc/91/05/43/987910543.db2.gz QKRPSKKHOHWWTG-CRWXNKLISA-N 2 0 239.407 1.290 20 0 BDADRP C[C@H]1C[C@@H]([N@@H+]2CCC[C@H]([NH3+])CC2)CCO1 ZINC001246543104 987912232 /nfs/dbraw/zinc/91/22/32/987912232.db2.gz TVLOEZJUKZTTEZ-SRVKXCTJSA-N 2 0 212.337 1.367 20 0 BDADRP CSCC[C@H](C)[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246546101 987931057 /nfs/dbraw/zinc/93/10/57/987931057.db2.gz YFCJPWYYFZRUOJ-NWDGAFQWSA-N 2 0 246.420 1.304 20 0 BDADRP C[C@@H]1CC[N@@H+]([C@H]2CCCOCC2)CC[C@@H]1C[NH3+] ZINC001246555851 987965764 /nfs/dbraw/zinc/96/57/64/987965764.db2.gz HEMITZWJNCQFMY-MCIONIFRSA-N 2 0 240.391 1.862 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+]CCc1ccc(F)cc1F ZINC001117954072 987966336 /nfs/dbraw/zinc/96/63/36/987966336.db2.gz YSKWIZGATKPPGB-LLVKDONJSA-N 2 0 228.286 1.834 20 0 BDADRP C[C@@H](CC1CC1)[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246556874 987967946 /nfs/dbraw/zinc/96/79/46/987967946.db2.gz GTCGAGMFQQBNEV-WCQYABFASA-N 2 0 226.364 1.351 20 0 BDADRP C[C@@H]1CC[N@@H+]([C@@H]2CCCOCC2)CC[C@H]1C[NH3+] ZINC001246555850 987968186 /nfs/dbraw/zinc/96/81/86/987968186.db2.gz HEMITZWJNCQFMY-HZSPNIEDSA-N 2 0 240.391 1.862 20 0 BDADRP CCC1CCC([N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001246556773 987968861 /nfs/dbraw/zinc/96/88/61/987968861.db2.gz CZJKMBTUILDGGC-FIYWTHMPSA-N 2 0 226.364 1.349 20 0 BDADRP CC[C@@H]1C[C@H](N2C[C@@H](C)CC[C@H]2C[NH3+])CC[NH2+]1 ZINC001246557974 987974086 /nfs/dbraw/zinc/97/40/86/987974086.db2.gz NGJVJQSEYIHYMS-DGAVXFQQSA-N 2 0 239.407 1.576 20 0 BDADRP C[C@@H]1CC[C@H](C[NH3+])N([C@@H]2CCC[N@H+](C)CC2)C1 ZINC001246558404 987975179 /nfs/dbraw/zinc/97/51/79/987975179.db2.gz QBJCNHZWIHJBOG-MGPQQGTHSA-N 2 0 239.407 1.530 20 0 BDADRP C[C@H]1CC[N@@H+](C2C[C@@H]3C=C[C@H](C2)[NH2+]3)CC[C@@H]1C[NH3+] ZINC001246557397 987975295 /nfs/dbraw/zinc/97/52/95/987975295.db2.gz LMCASZDJVSFKQE-DRWKLNATSA-N 3 0 249.402 1.352 20 0 BDADRP CC[C@H](CC(C)C)[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246561595 987990717 /nfs/dbraw/zinc/99/07/17/987990717.db2.gz QSZVVNPBENBVHW-KGLIPLIRSA-N 2 0 242.407 1.987 20 0 BDADRP C[C@@H]1CC[C@H](N2CC[C@@H](C[NH3+])[C@@H](C)CC2)C[NH2+]1 ZINC001246562709 988002640 /nfs/dbraw/zinc/00/26/40/988002640.db2.gz WDUHZFRSOKVWSG-CRWXNKLISA-N 2 0 239.407 1.434 20 0 BDADRP CC1(C)C[C@@H]([N@@H+]2CCC[C@](F)(C[NH3+])CC2)CO1 ZINC001246562802 988003453 /nfs/dbraw/zinc/00/34/53/988003453.db2.gz WKQMGLKQJGZRKC-DGCLKSJQSA-N 2 0 244.354 1.707 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)CC[NH2+]1 ZINC001246564977 988013542 /nfs/dbraw/zinc/01/35/42/988013542.db2.gz ZDMFORNRHUWJSW-SYQHCUMBSA-N 3 0 239.407 1.434 20 0 BDADRP C[C@H](Cc1ccccn1)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246563882 988018774 /nfs/dbraw/zinc/01/87/74/988018774.db2.gz VRIFTXNCSCWKJV-NQBHXWOUSA-N 2 0 219.332 1.292 20 0 BDADRP C[NH2+]CC[C@H](C)[N@@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001246564519 988018896 /nfs/dbraw/zinc/01/88/96/988018896.db2.gz XQGIKSBYTOBIFQ-FRRDWIJNSA-N 3 0 227.396 1.291 20 0 BDADRP C[C@@H]1CN([C@H]2CCCC[NH2+]C2)CCC[C@@H]1C[NH3+] ZINC001246564732 988020547 /nfs/dbraw/zinc/02/05/47/988020547.db2.gz GJXRQVYCSQZCQT-MCIONIFRSA-N 2 0 239.407 1.435 20 0 BDADRP Cc1n[nH]c(=O)c(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c1C ZINC001118118274 988023499 /nfs/dbraw/zinc/02/34/99/988023499.db2.gz FAQBVHVWSDJPKX-HTQZYQBOSA-N 2 0 238.335 1.014 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]CC[C@@H](C)[NH2+]C)C1(C)C ZINC001118122048 988030144 /nfs/dbraw/zinc/03/01/44/988030144.db2.gz NGOZMBUCKLFCHM-IJLUTSLNSA-N 2 0 228.380 1.778 20 0 BDADRP CC[C@@H]1C[C@H](N2CC[C@@H](C)[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246569991 988047589 /nfs/dbraw/zinc/04/75/89/988047589.db2.gz RHPJCLIALZZSHY-LPWJVIDDSA-N 2 0 225.380 1.186 20 0 BDADRP C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)C[C@@H]1C ZINC001246570780 988052958 /nfs/dbraw/zinc/05/29/58/988052958.db2.gz VNNZVJHCPYKXPT-NZEXEKPDSA-N 2 0 226.364 1.205 20 0 BDADRP CCCC[C@@H]1C[C@@H](N2C[C@@H](C)[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246569581 988054346 /nfs/dbraw/zinc/05/43/46/988054346.db2.gz WNRPMTJBVQIVCK-YIYPIFLZSA-N 2 0 239.407 1.576 20 0 BDADRP C1[NH2+]CC12C[C@@H]([NH+]1C[C@H]3CCCC[C@@H]3C1)CCN2 ZINC001246571016 988054633 /nfs/dbraw/zinc/05/46/33/988054633.db2.gz JRXIIDJVGGWVAL-MCIONIFRSA-N 2 0 249.402 1.202 20 0 BDADRP C[C@@H]1CCN(C2C[C@H](C)[NH2+][C@@H](C)C2)C[C@@H]1[NH3+] ZINC001246570862 988055310 /nfs/dbraw/zinc/05/53/10/988055310.db2.gz TWQHFNSMNQYMLF-BLFANLJRSA-N 2 0 225.380 1.185 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)CC[NH2+]1 ZINC001246573758 988073949 /nfs/dbraw/zinc/07/39/49/988073949.db2.gz ZDMFORNRHUWJSW-REWJHTLYSA-N 3 0 239.407 1.434 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CC[C@](C)(CF)C2)CC[NH2+]1 ZINC001246573972 988076362 /nfs/dbraw/zinc/07/63/62/988076362.db2.gz HEACTTYDCUMSDT-GRYCIOLGSA-N 2 0 214.328 1.808 20 0 BDADRP C[C@H]1C[C@@H](N2CCCC[C@@](C)(C[NH3+])C2)CC[NH2+]1 ZINC001246578785 988106080 /nfs/dbraw/zinc/10/60/80/988106080.db2.gz CDRDBMXQOIDGNI-IHRRRGAJSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@@H]1CC[C@@H]([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)C[C@@H]1C ZINC001246583842 988120855 /nfs/dbraw/zinc/12/08/55/988120855.db2.gz LBKOUFCQXWAAIJ-SJHCENCUSA-N 2 0 226.364 1.063 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N1[C@H](C)C[NH2+]C[C@@H]1C ZINC001246587383 988142732 /nfs/dbraw/zinc/14/27/32/988142732.db2.gz SLEUPQRJCVBIFH-MELADBBJSA-N 2 0 241.423 1.789 20 0 BDADRP C[C@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@@]1(C)O ZINC001246587156 988143181 /nfs/dbraw/zinc/14/31/81/988143181.db2.gz FTPCOEUSFYODEE-BEUHCMRWSA-N 2 0 238.375 1.362 20 0 BDADRP [NH3+][C@@H]1C[C@H](F)CN([C@@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC001246589342 988160466 /nfs/dbraw/zinc/16/04/66/988160466.db2.gz ZPOAGNJLBSZGFM-QJPTWQEYSA-N 2 0 241.354 1.032 20 0 BDADRP CC1(C[NH3+])C[NH+]([C@@H]2CCCSC2)C1 ZINC001246595609 988185194 /nfs/dbraw/zinc/18/51/94/988185194.db2.gz ILSRLHLNQKELCY-SECBINFHSA-N 2 0 200.351 1.163 20 0 BDADRP CC1(C[NH3+])C[NH+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246602154 988206104 /nfs/dbraw/zinc/20/61/04/988206104.db2.gz VXCOOMOJRQAXCH-TZMCWYRMSA-N 3 0 237.391 1.189 20 0 BDADRP C[C@@H]1C[C@H](N2CC[C@@]3(C2)CCC[NH2+]C3)CC[NH2+]1 ZINC001246599121 988209795 /nfs/dbraw/zinc/20/97/95/988209795.db2.gz ARHCVOFCHZEXPS-MCIONIFRSA-N 2 0 237.391 1.202 20 0 BDADRP C1C[N@H+]([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)[C@]2(C1)CCC[NH2+]C2 ZINC001246608809 988224350 /nfs/dbraw/zinc/22/43/50/988224350.db2.gz JYHHTOJUEUCJMF-XGUBFFRZSA-N 3 0 249.402 1.202 20 0 BDADRP C1C[N@H+]([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)[C@]2(C1)CCC[NH2+]C2 ZINC001246608810 988225197 /nfs/dbraw/zinc/22/51/97/988225197.db2.gz JYHHTOJUEUCJMF-YJNKXOJESA-N 3 0 249.402 1.202 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CC[C@]3(CCCO3)C2)CC[NH2+]1 ZINC001246606560 988226434 /nfs/dbraw/zinc/22/64/34/988226434.db2.gz NBLXUWXPZWFEPT-FRRDWIJNSA-N 2 0 224.348 1.382 20 0 BDADRP CCC[C@H](C)[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246607701 988232108 /nfs/dbraw/zinc/23/21/08/988232108.db2.gz WSQYHYFRQOSLDZ-LBPRGKRZSA-N 2 0 225.380 1.202 20 0 BDADRP [NH3+]CC1(F)CC[NH+](C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001246616988 988261677 /nfs/dbraw/zinc/26/16/77/988261677.db2.gz DKMGIWLDNZABEO-YOGCLGLASA-N 2 0 240.322 1.235 20 0 BDADRP CCOCC[C@@H](C)[NH+]1CCC(F)(C[NH3+])CC1 ZINC001246620378 988271492 /nfs/dbraw/zinc/27/14/92/988271492.db2.gz SLQHNPSUHCBING-LLVKDONJSA-N 2 0 232.343 1.564 20 0 BDADRP C[NH2+]CC[C@@H](C)N1CCC[C@]2(CCC[NH2+]2)C1 ZINC001246622546 988274443 /nfs/dbraw/zinc/27/44/43/988274443.db2.gz RGLWKYWFGZYETD-CHWSQXEVSA-N 2 0 225.380 1.202 20 0 BDADRP C[C@@H]1C[C@@H](N2CCC[C@@]3(CCC[NH2+]3)C2)CC[NH2+]1 ZINC001246627886 988290464 /nfs/dbraw/zinc/29/04/64/988290464.db2.gz ZXOLNVVFTVOBNQ-RDBSUJKOSA-N 2 0 237.391 1.345 20 0 BDADRP C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)C[NH2+]1 ZINC001246628054 988295521 /nfs/dbraw/zinc/29/55/21/988295521.db2.gz LZAUMBYYKQTIII-MQYQWHSLSA-N 3 0 237.391 1.058 20 0 BDADRP OCC[C@H]1CC12CCN([C@@H]1CCC[NH2+]C1)CC2 ZINC001246632152 988314464 /nfs/dbraw/zinc/31/44/64/988314464.db2.gz ZJXYWUJELIKJSQ-QWHCGFSZSA-N 2 0 238.375 1.223 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N2CC[C@H]3[NH2+]CC[C@H]32)CC[NH2+]1 ZINC001246639284 988341079 /nfs/dbraw/zinc/34/10/79/988341079.db2.gz PHMJBBOBIRHQNS-RFQIPJPRSA-N 2 0 237.391 1.199 20 0 BDADRP C1CC2(CC[NH2+]CC2)N1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246642753 988350334 /nfs/dbraw/zinc/35/03/34/988350334.db2.gz ORWIUXONUGPEAG-FUNVUKJBSA-N 2 0 235.375 1.097 20 0 BDADRP CC[N@@H+]1CC[C@H](N2CCCC[C@@]23CC[NH2+]C3)C1 ZINC001246644072 988354233 /nfs/dbraw/zinc/35/42/33/988354233.db2.gz PMXHXELBSPZFJX-KBPBESRZSA-N 2 0 237.391 1.299 20 0 BDADRP CC[C@H](CC(C)C)[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246643123 988355550 /nfs/dbraw/zinc/35/55/50/988355550.db2.gz OBIDBUDVHOYNNP-ZIAGYGMSSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@]23CC[NH2+]C3)CCO1 ZINC001246643022 988359529 /nfs/dbraw/zinc/35/95/29/988359529.db2.gz LRMXUVCMIWZZAM-HZSPNIEDSA-N 2 0 238.375 1.772 20 0 BDADRP CC1(C)[C@@H]2C[C@@H]([N@@H+]3CCN[C@]4(CC[NH2+]C4)C3)C[C@@H]21 ZINC001246645354 988361284 /nfs/dbraw/zinc/36/12/84/988361284.db2.gz UMPMPPXRRSZKEW-XPCVCDNBSA-N 2 0 249.402 1.058 20 0 BDADRP CC[C@@H]1C[C@@H](N2C[C@@H]3C[C@]3([NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246646703 988361789 /nfs/dbraw/zinc/36/17/89/988361789.db2.gz PONDECMRZDNBBX-HPCHECBXSA-N 2 0 237.391 1.329 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)CC[NH2+]1 ZINC001246646767 988362413 /nfs/dbraw/zinc/36/24/13/988362413.db2.gz HWWDQJPFDIZDQZ-XJFOESAGSA-N 2 0 238.375 1.628 20 0 BDADRP C1CO[C@@H]2C[N@@H+](C3CC[NH2+]CC3)CC[C@H]2C1 ZINC001246648422 988369681 /nfs/dbraw/zinc/36/96/81/988369681.db2.gz PQRBAFVRLFXJNK-DGCLKSJQSA-N 2 0 224.348 1.239 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[C@H]3C[C@@]3([NH3+])C1)C2 ZINC001246651332 988376058 /nfs/dbraw/zinc/37/60/58/988376058.db2.gz CUDITRFFZDNZMP-PDWCTOEPSA-N 2 0 235.375 1.035 20 0 BDADRP C1[NH2+][C@@H]2CCCN(C3CCC4(CC[NH2+]C4)CC3)[C@H]12 ZINC001246661173 988389348 /nfs/dbraw/zinc/38/93/48/988389348.db2.gz KDOPXDWIKBPADQ-PIOWNMBXSA-N 2 0 249.402 1.345 20 0 BDADRP C1[NH2+][C@H]2CCCN([C@H]3CCC[C@]4(CC[NH2+]C4)C3)[C@@H]12 ZINC001246666006 988406754 /nfs/dbraw/zinc/40/67/54/988406754.db2.gz VQVXTXUVKWROKO-AJNGGQMLSA-N 2 0 249.402 1.345 20 0 BDADRP CC[C@@H]1CC([N@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)C[C@@H](CC)[NH2+]1 ZINC001246667184 988411225 /nfs/dbraw/zinc/41/12/25/988411225.db2.gz YBSKBUWEFQOCLM-NBUWXKEQSA-N 3 0 237.391 1.185 20 0 BDADRP C[C@H]1C[NH2+]CCN1[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246672900 988414937 /nfs/dbraw/zinc/41/49/37/988414937.db2.gz MRRDIKLWOCLEBD-YNEHKIRRSA-N 2 0 239.407 1.447 20 0 BDADRP CCCC[C@H]1C[C@H](N2CC[NH2+][C@H](C)C2)CC[NH2+]1 ZINC001246676579 988420105 /nfs/dbraw/zinc/42/01/05/988420105.db2.gz CKWIPXNYPGWQOV-HZSPNIEDSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@H]1CNCC[N@@H+]1[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246675862 988421400 /nfs/dbraw/zinc/42/14/00/988421400.db2.gz YOIXEGOZXJYYTJ-MJBXVCDLSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@@H]1CC[C@H](N2CCC(C3C[NH2+]C3)CC2)C[NH2+]1 ZINC001246677872 988426925 /nfs/dbraw/zinc/42/69/25/988426925.db2.gz JHXDHVQEHHQSQT-RISCZKNCSA-N 2 0 237.391 1.058 20 0 BDADRP CN(CCC[NH3+])[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246682122 988429659 /nfs/dbraw/zinc/42/96/59/988429659.db2.gz SEBXVJGPVYSKFC-NWDGAFQWSA-N 2 0 227.396 1.434 20 0 BDADRP CC[C@H]1CC(N(C)CCC[NH3+])C[C@H](CC)[NH2+]1 ZINC001246683031 988430713 /nfs/dbraw/zinc/43/07/13/988430713.db2.gz XYYJOYJDXYSPRX-RYUDHWBXSA-N 2 0 227.396 1.576 20 0 BDADRP CC(C)[C@@H]1C[NH2+]CCN1[C@@H]1CCC[NH2+]CC1 ZINC001246692091 988434909 /nfs/dbraw/zinc/43/49/09/988434909.db2.gz FVPJWBQCPGSDRQ-OLZOCXBDSA-N 2 0 225.380 1.058 20 0 BDADRP CC(C)[C@@H]1C[NH2+]CCN1[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246697967 988449087 /nfs/dbraw/zinc/44/90/87/988449087.db2.gz UAHWPXINESZLJZ-XQQFMLRXSA-N 2 0 225.380 1.057 20 0 BDADRP C[NH2+]CC1CC[NH+]([C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246783133 988459509 /nfs/dbraw/zinc/45/95/09/988459509.db2.gz WLPBFYVQPUMGPI-DGCLKSJQSA-N 3 0 225.380 1.058 20 0 BDADRP C[C@H]1CC[C@H](N(C)CCC[NH+]2CCCC2)C[NH2+]1 ZINC001246781608 988464330 /nfs/dbraw/zinc/46/43/30/988464330.db2.gz HVLWMUPPMIPWIN-KBPBESRZSA-N 2 0 239.407 1.545 20 0 BDADRP C[C@H]1CC[C@H](N(C)CCC2CC[NH2+]CC2)C[NH2+]1 ZINC001246793168 988466873 /nfs/dbraw/zinc/46/68/73/988466873.db2.gz AYTCWPJTQBMSRY-JSGCOSHPSA-N 2 0 239.407 1.448 20 0 BDADRP Fc1ccccc1[C@@H]1C[NH2+]CCN1[C@H]1CC[NH2+]C1 ZINC001246793894 988472890 /nfs/dbraw/zinc/47/28/90/988472890.db2.gz CJNUJKQVSKRXGY-FZMZJTMJSA-N 2 0 249.333 1.134 20 0 BDADRP C[NH2+]CC[C@@H](C)[N@H+](C)CCC1CC[NH2+]CC1 ZINC001246794570 988475524 /nfs/dbraw/zinc/47/55/24/988475524.db2.gz GAVSSOLGXQKDRY-GFCCVEGCSA-N 3 0 227.396 1.306 20 0 BDADRP CCN(C1CC[NH2+]CC1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246798574 988480185 /nfs/dbraw/zinc/48/01/85/988480185.db2.gz VDWMECGFAXONOF-DGCLKSJQSA-N 2 0 225.380 1.201 20 0 BDADRP CCCC[C@@H]1C[C@@H](N(C)[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC001246803941 988483397 /nfs/dbraw/zinc/48/33/97/988483397.db2.gz NYBPJJFTCGWWHE-RDBSUJKOSA-N 2 0 239.407 1.591 20 0 BDADRP CC[C@@H]1C[NH2+]CCN1C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246803119 988483276 /nfs/dbraw/zinc/48/32/76/988483276.db2.gz LTBFGHIPTALWHR-SDDRHHMPSA-N 2 0 225.380 1.199 20 0 BDADRP CC[C@H]1C[C@H](N2CC[NH2+]C(C)(C)C2)CC[NH2+]1 ZINC001246816725 988500979 /nfs/dbraw/zinc/50/09/79/988500979.db2.gz MKFBTRKWRBVCIZ-NWDGAFQWSA-N 2 0 225.380 1.201 20 0 BDADRP C[NH2+][C@@H]1CCN([C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)C1 ZINC001246815875 988503535 /nfs/dbraw/zinc/50/35/35/988503535.db2.gz YPTHNPJWJKHXLC-JHJVBQTASA-N 2 0 239.407 1.447 20 0 BDADRP C1[NH2+]CC12C[C@H]([N@@H+]1CCC[C@H]3CCC[C@H]31)CCN2 ZINC001246822292 988507011 /nfs/dbraw/zinc/50/70/11/988507011.db2.gz YCTVJRIZIZXZEV-MGPQQGTHSA-N 2 0 249.402 1.345 20 0 BDADRP CC(C)C[C@H]1CN([C@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC001246820023 988507195 /nfs/dbraw/zinc/50/71/95/988507195.db2.gz FZWMFPZTLQUERT-KBPBESRZSA-N 2 0 239.407 1.448 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2CC[NH2+]C3(CC3)C2)CC[NH2+]1 ZINC001246831212 988524786 /nfs/dbraw/zinc/52/47/86/988524786.db2.gz BXZYGDAWIQVCHW-OLZOCXBDSA-N 2 0 237.391 1.201 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N2CC[C@@H](F)[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246832223 988527111 /nfs/dbraw/zinc/52/71/11/988527111.db2.gz AYFGMXLJZCGCGT-LOWDOPEQSA-N 2 0 243.370 1.134 20 0 BDADRP C1[NH2+]CC12CCC(N1CC3(C1)CCCC[NH2+]3)CC2 ZINC001246831297 988529954 /nfs/dbraw/zinc/52/99/54/988529954.db2.gz CIHITLAZTRIEAJ-UHFFFAOYSA-N 2 0 249.402 1.347 20 0 BDADRP CCC[C@@H](Cc1ccccc1)N(CC[NH3+])CC[NH3+] ZINC001246835218 988531457 /nfs/dbraw/zinc/53/14/57/988531457.db2.gz WGQVFPWNOKKBLB-HNNXBMFYSA-N 2 0 249.402 1.617 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N2CCC[C@H]2CC[NH3+])CC[NH2+]1 ZINC001246835046 988533529 /nfs/dbraw/zinc/53/35/29/988533529.db2.gz YGJYQMFQOZOORG-IHRRRGAJSA-N 2 0 239.407 1.576 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2CCC[C@H]2CC[NH3+])CC[NH2+]1 ZINC001246835048 988535768 /nfs/dbraw/zinc/53/57/68/988535768.db2.gz YGJYQMFQOZOORG-MJBXVCDLSA-N 2 0 239.407 1.576 20 0 BDADRP COC(=O)C[C@@H]1CCC[N@@H+]1[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246838394 988539875 /nfs/dbraw/zinc/53/98/75/988539875.db2.gz HGGLFAHUGXJBTA-SRVKXCTJSA-N 2 0 240.347 1.154 20 0 BDADRP C[NH+]1CCC2(CC[N@@H+](C3CC[NH2+]CC3)C2)CC1 ZINC001246841636 988546642 /nfs/dbraw/zinc/54/66/42/988546642.db2.gz NQZKZLQSOQDKBX-UHFFFAOYSA-N 3 0 237.391 1.156 20 0 BDADRP CCOCC1CC[NH+]([C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246844025 988554577 /nfs/dbraw/zinc/55/45/77/988554577.db2.gz FRMOVPZUIRVDIU-OCCSQVGLSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@@H]1CCC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246849098 988563165 /nfs/dbraw/zinc/56/31/65/988563165.db2.gz PZYRVLCPVYRDPC-OLZOCXBDSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@@H]1CCC[C@H]([N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)C1 ZINC001246850664 988566590 /nfs/dbraw/zinc/56/65/90/988566590.db2.gz CNFFIVJRCIIOCJ-MROQNXINSA-N 2 0 208.349 1.988 20 0 BDADRP CC1(C)[C@@H]2C[C@@H]([N@@H+]3C[C@H]4CC[C@]4([NH3+])C3)C[C@@H]21 ZINC001246851807 988569260 /nfs/dbraw/zinc/56/92/60/988569260.db2.gz HPWQBYIUZYMOPW-SSKLVLDBSA-N 2 0 220.360 1.844 20 0 BDADRP CCN([C@@H]1CC[NH2+]C1)[C@@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246853387 988569343 /nfs/dbraw/zinc/56/93/43/988569343.db2.gz VIMCNAVAYRGDFX-MGPQQGTHSA-N 2 0 239.407 1.447 20 0 BDADRP CCN([C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]CC1 ZINC001246851873 988571114 /nfs/dbraw/zinc/57/11/14/988571114.db2.gz ATJROJOLGKSPRA-CHWSQXEVSA-N 2 0 225.380 1.202 20 0 BDADRP CCN([C@H](C)CC[NH2+]C)[C@H]1CCC[NH2+]C1 ZINC001246856123 988577284 /nfs/dbraw/zinc/57/72/84/988577284.db2.gz YNKCVKCVHMOQFG-NEPJUHHUSA-N 2 0 213.369 1.058 20 0 BDADRP CCC[C@H](C)[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246859550 988591138 /nfs/dbraw/zinc/59/11/38/988591138.db2.gz LGFSVEMXBBPOIK-WSMDXJOWSA-N 2 0 212.337 1.081 20 0 BDADRP CC[C@H]1C[C@@H](N2CC[NH2+]C[C@@H]2CC)CC[NH2+]1 ZINC001246857641 988591342 /nfs/dbraw/zinc/59/13/42/988591342.db2.gz RMTUOPIAHQTXKH-AVGNSLFASA-N 2 0 225.380 1.201 20 0 BDADRP C[C@H]1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)C[NH2+]1 ZINC001246859627 988593939 /nfs/dbraw/zinc/59/39/39/988593939.db2.gz MCQSAYOBCKQKOL-HTFCKZLJSA-N 2 0 212.312 1.559 20 0 BDADRP CC[C@H]1C[C@H](N2C[C@H]3CC[C@@H](C2)[NH2+]C3)CC[NH2+]1 ZINC001246867506 988622447 /nfs/dbraw/zinc/62/24/47/988622447.db2.gz OKWXPKLHYJUASQ-XDQVBPFNSA-N 2 0 237.391 1.201 20 0 BDADRP C1CC2(C1)C[C@H](N1C[C@H]3CCC[C@@H](C1)[NH2+]3)CC[NH2+]2 ZINC001246880250 988648024 /nfs/dbraw/zinc/64/80/24/988648024.db2.gz IHPNNQCKBDJDTQ-HZSPNIEDSA-N 2 0 249.402 1.487 20 0 BDADRP CN(C[C@@H]1CCC[NH2+]1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001246888932 988654015 /nfs/dbraw/zinc/65/40/15/988654015.db2.gz MXJPETGMQRJCSE-IGQOVBAYSA-N 2 0 237.391 1.295 20 0 BDADRP CCN(CC[NH2+]C)[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246890331 988659383 /nfs/dbraw/zinc/65/93/83/988659383.db2.gz JELKTDYBGWPRCN-LBPRGKRZSA-N 2 0 225.380 1.202 20 0 BDADRP CCCC[C@H]1CN([C@@H](C)CC[NH2+]C)CC[NH2+]1 ZINC001246890649 988659424 /nfs/dbraw/zinc/65/94/24/988659424.db2.gz KMOAYYRLBJWVEY-STQMWFEESA-N 2 0 227.396 1.448 20 0 BDADRP C[NH2+][C@@H]1CCN1[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246901433 988674116 /nfs/dbraw/zinc/67/41/16/988674116.db2.gz XPBFTAJQBMHCDR-SRVKXCTJSA-N 2 0 225.380 1.404 20 0 BDADRP CC[C@@H]1C[C@@H](N2CC[C@@H]2[NH2+]C)C[C@H](CC)[NH2+]1 ZINC001246899916 988674653 /nfs/dbraw/zinc/67/46/53/988674653.db2.gz QWZCISLUGVPGHQ-YVECIDJPSA-N 2 0 225.380 1.547 20 0 BDADRP CCC1([NH3+])CN([C@@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC001246902127 988676912 /nfs/dbraw/zinc/67/69/12/988676912.db2.gz PVOCLQWQJAAGBR-LLVKDONJSA-N 2 0 223.364 1.084 20 0 BDADRP CCCC[C@@H]1C[C@H](N2CC([NH3+])(CC)C2)CC[NH2+]1 ZINC001246903439 988683086 /nfs/dbraw/zinc/68/30/86/988683086.db2.gz XSCDCNHMLNIBLT-CHWSQXEVSA-N 2 0 239.407 1.720 20 0 BDADRP C[N@H+](CCO)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246910706 988687561 /nfs/dbraw/zinc/68/75/61/988687561.db2.gz CPIFDXHOOUWNAW-GHMZBOCLSA-N 2 0 214.353 1.077 20 0 BDADRP C[N@H+](CCO)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246910708 988687669 /nfs/dbraw/zinc/68/76/69/988687669.db2.gz CPIFDXHOOUWNAW-QWRGUYRKSA-N 2 0 214.353 1.077 20 0 BDADRP CC(C)[N@H+](C)[C@@H]1CCN([C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC001246907417 988689734 /nfs/dbraw/zinc/68/97/34/988689734.db2.gz FSWUGDJQRXPPTM-MGPQQGTHSA-N 2 0 239.407 1.541 20 0 BDADRP NC[C@H]1CCC[N@@H+]1[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246907261 988690114 /nfs/dbraw/zinc/69/01/14/988690114.db2.gz JBIKUMILVIXQOM-QWHCGFSZSA-N 2 0 237.391 1.332 20 0 BDADRP COC(=O)CC[N@H+](C1CC1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246910642 988690915 /nfs/dbraw/zinc/69/09/15/988690915.db2.gz BDWNJXGEGIVEBS-PWSUYJOCSA-N 2 0 240.347 1.154 20 0 BDADRP CCC[C@@H]1C[NH2+]CCN1[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246911106 988695673 /nfs/dbraw/zinc/69/56/73/988695673.db2.gz ASAFSXWFJZFPIB-UPJWGTAASA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H]1C[C@@H](N(C)[C@@]2(C)CCC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC001246913708 988697563 /nfs/dbraw/zinc/69/75/63/988697563.db2.gz RTAODBYVFLNEBO-CRWXNKLISA-N 2 0 239.407 1.589 20 0 BDADRP C1CC1N([C@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]CC1 ZINC001246916992 988714654 /nfs/dbraw/zinc/71/46/54/988714654.db2.gz NDGABZOSFREKDY-JSGCOSHPSA-N 2 0 237.391 1.345 20 0 BDADRP CC(C)(C)[NH+]1CCC(N2C[C@@H]3C[NH2+]C[C@H]32)CC1 ZINC001246918520 988715958 /nfs/dbraw/zinc/71/59/58/988715958.db2.gz KPXFEJBGFLMDFT-WCQYABFASA-N 2 0 237.391 1.153 20 0 BDADRP C[NH2+]C1CCC(N(C)[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246918577 988720121 /nfs/dbraw/zinc/72/01/21/988720121.db2.gz LBNMSCZYNGKPOA-RYSNWHEDSA-N 2 0 239.407 1.589 20 0 BDADRP CN([C@@H]1CC[NH2+]C(C)(C)C1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001246919447 988733477 /nfs/dbraw/zinc/73/34/77/988733477.db2.gz MSVJDFGZNFAXCH-FRRDWIJNSA-N 2 0 239.407 1.719 20 0 BDADRP CN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCC[C@H]1[NH3+] ZINC001246923394 988738345 /nfs/dbraw/zinc/73/83/45/988738345.db2.gz WSLAZQVEAARYHE-QZQCMHJZSA-N 2 0 237.391 1.471 20 0 BDADRP C[C@H]1CC[C@@H](N2CCC[C@H]([NH2+]C3CC3)C2)C[NH2+]1 ZINC001246921741 988742909 /nfs/dbraw/zinc/74/29/09/988742909.db2.gz RWWRSESUFZYJAX-FPMFFAJLSA-N 2 0 237.391 1.343 20 0 BDADRP CCCC[C@@H]1C[C@H](N2C[C@H]3C[NH2+][C@H]3C2)CC[NH2+]1 ZINC001246923862 988743017 /nfs/dbraw/zinc/74/30/17/988743017.db2.gz ZVFCFIJHPATOBI-SYQHCUMBSA-N 2 0 237.391 1.201 20 0 BDADRP C1[NH2+][C@@H]2C[N@@H+](C3CCC4(CCC[NH2+]C4)CC3)C[C@H]12 ZINC001246924884 988746544 /nfs/dbraw/zinc/74/65/44/988746544.db2.gz NIOTZTBVIWTOSD-FGZQJIAISA-N 3 0 249.402 1.202 20 0 BDADRP C1[C@@H]2CC[NH2+]CC[C@@H]2C[N@H+]1[C@@H]1CCCOCC1 ZINC001246928672 988755558 /nfs/dbraw/zinc/75/55/58/988755558.db2.gz BPSZUMDSCOBZEJ-HZSPNIEDSA-N 2 0 238.375 1.487 20 0 BDADRP CCCN([C@@H]1CC[NH2+]C1)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246932556 988757751 /nfs/dbraw/zinc/75/77/51/988757751.db2.gz BISHBPVQOPKONW-RWMBFGLXSA-N 2 0 225.380 1.201 20 0 BDADRP CC[C@@H]1C[C@@H](N2CCC[C@@H]2C[NH2+]C)CC[NH2+]1 ZINC001246936505 988765715 /nfs/dbraw/zinc/76/57/15/988765715.db2.gz DBJKTQOGMONRMW-FRRDWIJNSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@H]1[C@H]([NH3+])CCCN1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246938920 988767160 /nfs/dbraw/zinc/76/71/60/988767160.db2.gz PIHDQWYLFSTYSU-GVWAJWJKSA-N 2 0 223.364 1.081 20 0 BDADRP CC(C)[C@H]1C[C@@H](N2C[C@H](C)[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC001246941741 988773557 /nfs/dbraw/zinc/77/35/57/988773557.db2.gz BRWMRJLLAHPAQN-XDQVBPFNSA-N 2 0 239.407 1.445 20 0 BDADRP CCCN([C@H]1CC[NH2+]C1)[C@@H]1CCCC[NH2+]C1 ZINC001246940140 988774236 /nfs/dbraw/zinc/77/42/36/988774236.db2.gz IGGIEZDEZHNLOM-OLZOCXBDSA-N 2 0 225.380 1.202 20 0 BDADRP CCCN([C@@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]CC1 ZINC001246940703 988774262 /nfs/dbraw/zinc/77/42/62/988774262.db2.gz JWJZCFCCLYGDFL-QWHCGFSZSA-N 2 0 225.380 1.202 20 0 BDADRP CC(C)CN([C@H]1C[NH2+][C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC001246954300 988787934 /nfs/dbraw/zinc/78/79/34/988787934.db2.gz YCEOGMMRTAGVJE-MGPQQGTHSA-N 2 0 239.407 1.447 20 0 BDADRP CC(C)CN([C@@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC001246951909 988788125 /nfs/dbraw/zinc/78/81/25/988788125.db2.gz HJNUITCLXYAMAV-CHWSQXEVSA-N 2 0 225.380 1.058 20 0 BDADRP CC[N@H+](C)C1CCN([C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246948975 988788557 /nfs/dbraw/zinc/78/85/57/988788557.db2.gz HFVFKCFIWKGZRN-OCCSQVGLSA-N 2 0 239.407 1.543 20 0 BDADRP C[NH2+]C1CCC(N(C(C)C)[C@@H]2CC[NH2+]C2)CC1 ZINC001246965996 988793294 /nfs/dbraw/zinc/79/32/94/988793294.db2.gz IQSPYDXTJMQRRK-JXQTWKCFSA-N 2 0 239.407 1.589 20 0 BDADRP CC(C)N([C@H]1CC[NH2+]C1)[C@H]1CCCC[NH2+]C1 ZINC001246960899 988797178 /nfs/dbraw/zinc/79/71/78/988797178.db2.gz PFPNSMITRRKZGG-STQMWFEESA-N 2 0 225.380 1.201 20 0 BDADRP CC[C@@H]1C[C@@H](N(C2CC2)[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC001246969054 988799271 /nfs/dbraw/zinc/79/92/71/988799271.db2.gz SJXJXOOHKCDOEX-KWCYVHTRSA-N 2 0 237.391 1.343 20 0 BDADRP COC(=O)C[C@H]1CC[N@@H+]([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246970257 988801361 /nfs/dbraw/zinc/80/13/61/988801361.db2.gz YTECPAIIXWQLPB-IJLUTSLNSA-N 2 0 240.347 1.012 20 0 BDADRP CC[C@H]([NH3+])CN(C)C1CC[NH+](C(C)(C)C)CC1 ZINC001246972962 988803729 /nfs/dbraw/zinc/80/37/29/988803729.db2.gz GWRSNRCRZJGTGU-LBPRGKRZSA-N 2 0 241.423 1.918 20 0 BDADRP CC[C@H]([NH3+])CN(C)C1C[C@@H](CC)[NH2+][C@H](CC)C1 ZINC001246972742 988805157 /nfs/dbraw/zinc/80/51/57/988805157.db2.gz GHAJAHYUBVLQHR-YNEHKIRRSA-N 2 0 241.423 1.965 20 0 BDADRP CC[C@H]([NH3+])CN(C)[C@H](C)Cc1ccncc1 ZINC001246974319 988807032 /nfs/dbraw/zinc/80/70/32/988807032.db2.gz PLVDFJIYVHEKHH-YPMHNXCESA-N 2 0 221.348 1.682 20 0 BDADRP CC(C)[N@@H+]1CCN([C@@H]2CC[NH2+][C@@H](C)C2)C[C@@H]1C ZINC001246977587 988809007 /nfs/dbraw/zinc/80/90/07/988809007.db2.gz DYMPVEDJQFRBAZ-MELADBBJSA-N 2 0 239.407 1.541 20 0 BDADRP CC[N@H+]1C[C@H]2CN([C@@H]3CC[C@@H](C)[NH2+]C3)C[C@H]2C1 ZINC001246979051 988809606 /nfs/dbraw/zinc/80/96/06/988809606.db2.gz LLRBQHMMXMGQQN-YIYPIFLZSA-N 2 0 237.391 1.010 20 0 BDADRP CCCC[C@@H]1C[C@H](N(C)C[C@H](C)[NH3+])CC[NH2+]1 ZINC001246980372 988809778 /nfs/dbraw/zinc/80/97/78/988809778.db2.gz HNZQJEAQWVSBAU-YNEHKIRRSA-N 2 0 227.396 1.576 20 0 BDADRP CCC[C@@H](C)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001246989446 988818440 /nfs/dbraw/zinc/81/84/40/988818440.db2.gz RPWFETWXBJNZQI-KGLIPLIRSA-N 2 0 241.423 1.791 20 0 BDADRP CCCN(C[C@H]1CC[NH2+]C1)[C@@H](C)CC[NH2+]C ZINC001246997048 988828369 /nfs/dbraw/zinc/82/83/69/988828369.db2.gz USNDCBVUGRJEOV-STQMWFEESA-N 2 0 227.396 1.306 20 0 BDADRP CC[N@@H+]1CCN([C@H]2CC[NH2+][C@@H](C)C2)C(C)(C)C1 ZINC001246994573 988830191 /nfs/dbraw/zinc/83/01/91/988830191.db2.gz PVWKATVHCKEKMK-STQMWFEESA-N 2 0 239.407 1.543 20 0 BDADRP O=C1CCC[C@@H]2C[N@@H+]([C@H]3CCC[NH2+]C3)C[C@H]12 ZINC001247007895 988834929 /nfs/dbraw/zinc/83/49/29/988834929.db2.gz ZCLUUODHVTVSQS-WOPDTQHZSA-N 2 0 222.332 1.039 20 0 BDADRP O=C1CCC[C@@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]12 ZINC001247006162 988836114 /nfs/dbraw/zinc/83/61/14/988836114.db2.gz TWAVRUQGQFBBSE-SYCZCVCYSA-N 2 0 248.370 1.570 20 0 BDADRP O=C1CCC[C@@H]2C[N@@H+]([C@H]3CCC[NH2+]C3)C[C@@H]12 ZINC001247007889 988838189 /nfs/dbraw/zinc/83/81/89/988838189.db2.gz ZCLUUODHVTVSQS-GRYCIOLGSA-N 2 0 222.332 1.039 20 0 BDADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(C)(C)C[NH3+] ZINC001514550465 988896894 /nfs/dbraw/zinc/89/68/94/988896894.db2.gz UNZRFZULVONWQG-UHFFFAOYSA-N 2 0 243.395 1.018 20 0 BDADRP C[NH2+][C@@H](C)CCNC1CC[NH+](CC2CC2)CC1 ZINC001325266546 989139459 /nfs/dbraw/zinc/13/94/59/989139459.db2.gz CWIKXWFJUHVSNI-LBPRGKRZSA-N 2 0 239.407 1.448 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC001119611683 989235636 /nfs/dbraw/zinc/23/56/36/989235636.db2.gz WESMQSYHEGNVAX-GFCCVEGCSA-N 3 0 247.386 1.277 20 0 BDADRP C(CC1CCOCC1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC001119630154 989260876 /nfs/dbraw/zinc/26/08/76/989260876.db2.gz DAGXHXHGVRIGDJ-CYBMUJFWSA-N 2 0 238.375 1.677 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC001119630777 989267173 /nfs/dbraw/zinc/26/71/73/989267173.db2.gz JTRDNZPWRMNENS-ZFWWWQNUSA-N 3 0 249.402 1.912 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC001326035294 989330399 /nfs/dbraw/zinc/33/03/99/989330399.db2.gz HPMUDCPBESIRJK-NEPJUHHUSA-N 3 0 227.396 1.162 20 0 BDADRP C[NH2+][C@@H](C)CCNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC001326243438 989444168 /nfs/dbraw/zinc/44/41/68/989444168.db2.gz BDPVVXOWDAOKLI-AAEUAGOBSA-N 2 0 249.358 1.191 20 0 BDADRP CC[C@@]1(C(=O)Nc2cccc(C[NH3+])c2)CC[NH2+]C1 ZINC001326312942 989478986 /nfs/dbraw/zinc/47/89/86/989478986.db2.gz ILYGKXBWYICUCK-CQSZACIVSA-N 2 0 247.342 1.474 20 0 BDADRP CC[C@H]([NH2+]CC[C@H](C)[NH2+]C)[C@@H]1CCOC1 ZINC001326474559 989575421 /nfs/dbraw/zinc/57/54/21/989575421.db2.gz YOSVKNFSHZDNIK-TUAOUCFPSA-N 2 0 214.353 1.389 20 0 BDADRP CC(C)([NH3+])C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326519944 989595712 /nfs/dbraw/zinc/59/57/12/989595712.db2.gz SEDAWSROESYVRH-UHFFFAOYSA-N 2 0 225.380 1.189 20 0 BDADRP CCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH3+])CC ZINC001326688134 989654404 /nfs/dbraw/zinc/65/44/04/989654404.db2.gz OYLQGKQWCWHIGD-RYUDHWBXSA-N 2 0 241.379 1.104 20 0 BDADRP C[NH+](C)CC(C)(C)C[NH2+]C[C@](C)(O)C(F)F ZINC001120472072 989661553 /nfs/dbraw/zinc/66/15/53/989661553.db2.gz BLOLVJSBTSBONE-NSHDSACASA-N 2 0 238.322 1.180 20 0 BDADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N[C@H](C)CCCC[NH3+] ZINC001521540641 989738158 /nfs/dbraw/zinc/73/81/58/989738158.db2.gz JJGIIIYLTKWJLQ-QJPTWQEYSA-N 2 0 243.395 1.384 20 0 BDADRP C[C@@H]([NH3+])CC(=O)N1C[C@H](CC[NH3+])c2ccccc21 ZINC001522325001 989844783 /nfs/dbraw/zinc/84/47/83/989844783.db2.gz ARSLWUWQZOLNQH-MNOVXSKESA-N 2 0 247.342 1.203 20 0 BDADRP O=C(C[C@H]1CCC[NH2+]1)Nc1cccc2c1C[NH2+]C2 ZINC001522497041 989858406 /nfs/dbraw/zinc/85/84/06/989858406.db2.gz RJWZXOAIVVCQIR-LLVKDONJSA-N 2 0 245.326 1.370 20 0 BDADRP C[C@H](CCCC[NH3+])NC(=O)C[C@@H]([NH3+])C(C)(C)C ZINC001122022385 990192405 /nfs/dbraw/zinc/19/24/05/990192405.db2.gz RUQROQDHVVFAPK-GHMZBOCLSA-N 2 0 243.395 1.384 20 0 BDADRP CC[C@@H](C)C[C@@H]([NH3+])C(=O)N(CC[NH2+]C)C(C)C ZINC001122174272 990276234 /nfs/dbraw/zinc/27/62/34/990276234.db2.gz TZBNKHXTFIGBNF-VXGBXAGGSA-N 2 0 243.395 1.206 20 0 BDADRP CC(C)([NH3+])c1ccc(NC(=O)C[NH2+]C2CC2)cc1 ZINC001122320430 990339289 /nfs/dbraw/zinc/33/92/89/990339289.db2.gz GDQRORSUAQYTQG-UHFFFAOYSA-N 2 0 247.342 1.571 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)NC(=O)[C@@H](C)C[NH2+]C ZINC001122512729 990404469 /nfs/dbraw/zinc/40/44/69/990404469.db2.gz LFGNADGYWDXFTA-NWDGAFQWSA-N 2 0 243.395 1.079 20 0 BDADRP Cc1cnccc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001308555392 991035278 /nfs/dbraw/zinc/03/52/78/991035278.db2.gz VOMWUDIWFOBCSF-RBSFLKMASA-N 2 0 245.370 1.820 20 0 BDADRP C[C@]1(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCCCO1 ZINC001308611982 991058412 /nfs/dbraw/zinc/05/84/12/991058412.db2.gz UEOSHFNQVXJUOV-FRRDWIJNSA-N 2 0 224.348 1.097 20 0 BDADRP C[C@H](Cc1ccco1)[N@@H+](C)C[C@@H](C)C[NH3+] ZINC001258181302 991085027 /nfs/dbraw/zinc/08/50/27/991085027.db2.gz MKNWUJUCMDNPSY-WDEREUQCSA-N 2 0 210.321 1.737 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H]2CC[C@H](OC)C2)CC1 ZINC001308691434 991094493 /nfs/dbraw/zinc/09/44/93/991094493.db2.gz TVTKSACPOJFOCN-KGLIPLIRSA-N 2 0 240.391 1.875 20 0 BDADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCn3ccnc32)C1 ZINC001308810475 991151683 /nfs/dbraw/zinc/15/16/83/991151683.db2.gz GWPCAHVXKSUSPZ-QWHCGFSZSA-N 2 0 248.374 1.649 20 0 BDADRP COC(=O)[C@H](C[NH3+])C[NH2+]C1CCCCCCC1 ZINC001258234305 991172682 /nfs/dbraw/zinc/17/26/82/991172682.db2.gz RELDQXKMLGBXFA-LLVKDONJSA-N 2 0 242.363 1.437 20 0 BDADRP CN(CC[NH3+])CC[NH2+]C1CCCCCCC1 ZINC001258236501 991174060 /nfs/dbraw/zinc/17/40/60/991174060.db2.gz ZKQSHEASPSXLCZ-UHFFFAOYSA-N 2 0 227.396 1.579 20 0 BDADRP C[C@@H]1CC[C@H]1[NH2+]C[C@H]1C[NH+]2CCC1CC2 ZINC001308966224 991240606 /nfs/dbraw/zinc/24/06/06/991240606.db2.gz QDWOOODDABYHDJ-KGYLQXTDSA-N 2 0 208.349 1.716 20 0 BDADRP Cc1cnccc1C[NH2+]C[C@@H]1C[NH+]2CCC1CC2 ZINC001308965350 991241172 /nfs/dbraw/zinc/24/11/72/991241172.db2.gz FZYFWBKGKDTGTF-OAHLLOKOSA-N 2 0 245.370 1.821 20 0 BDADRP CSC(C)(C)C[C@@H](C)[NH2+]CCOCC[NH3+] ZINC001258321355 991245783 /nfs/dbraw/zinc/24/57/83/991245783.db2.gz JRAAUNJEBDIPDD-SNVBAGLBSA-N 2 0 234.409 1.472 20 0 BDADRP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001308984301 991250391 /nfs/dbraw/zinc/25/03/91/991250391.db2.gz MMNFMNHPRAGAFL-QNWJLWSRSA-N 2 0 208.349 1.715 20 0 BDADRP CC[N@H+](CCC[NH+](C)C)CC1(CC)COC1 ZINC001202966507 991350888 /nfs/dbraw/zinc/35/08/88/991350888.db2.gz XYFYLYCUUIMXNN-UHFFFAOYSA-N 2 0 228.380 1.687 20 0 BDADRP CCOC(=O)CC[C@H](C)[NH2+]C(C)(C)C(C)(C)[NH3+] ZINC001258483434 991453356 /nfs/dbraw/zinc/45/33/56/991453356.db2.gz HNMBILNIUUOFHM-JTQLQIEISA-N 2 0 244.379 1.824 20 0 BDADRP [NH3+]C1CC([NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC001258505795 991469901 /nfs/dbraw/zinc/46/99/01/991469901.db2.gz ODJAAOJOJDJZLX-UHFFFAOYSA-N 2 0 245.370 1.735 20 0 BDADRP CCNc1ccccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001560679639 991548364 /nfs/dbraw/zinc/54/83/64/991548364.db2.gz TYEJEOMETHPTTK-OKILXGFUSA-N 2 0 245.370 1.770 20 0 BDADRP CC[C@@H]([NH2+]CC1CC[NH+](CC)CC1)C(C)(C)O ZINC001560859955 991629073 /nfs/dbraw/zinc/62/90/73/991629073.db2.gz XDNVJQDLLWRVAB-CYBMUJFWSA-N 2 0 242.407 1.857 20 0 BDADRP C([NH2+][C@H]1CCCOC1)[C@H]1C[NH+]2CCC1CC2 ZINC001561034662 991694494 /nfs/dbraw/zinc/69/44/94/991694494.db2.gz YRMPBHPNMAGMSF-STQMWFEESA-N 2 0 224.348 1.097 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CC[C@H](O)[C@@H](F)C2)CC1 ZINC001561043092 991702918 /nfs/dbraw/zinc/70/29/18/991702918.db2.gz PPCFZLOUWHARMU-STQMWFEESA-N 2 0 244.354 1.123 20 0 BDADRP CCC[NH+]1CCC([N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC001258771679 991730501 /nfs/dbraw/zinc/73/05/01/991730501.db2.gz OEIGILDVRZNJNL-ZDUSSCGKSA-N 2 0 240.391 1.972 20 0 BDADRP CCC[NH+]1CCC([N@@H+]2CC[C@@H](C)[C@H](O)C2)CC1 ZINC001258772303 991737357 /nfs/dbraw/zinc/73/73/57/991737357.db2.gz MQXQNNNSHHNEER-TZMCWYRMSA-N 2 0 240.391 1.564 20 0 BDADRP CCC[NH+]1CCC([N@@H+]2CC[C@@](C)(CO)C2)CC1 ZINC001258772519 991739201 /nfs/dbraw/zinc/73/92/01/991739201.db2.gz RHFWLLGHOUPLDA-CQSZACIVSA-N 2 0 240.391 1.565 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1COC(=O)C1 ZINC001258900374 991893781 /nfs/dbraw/zinc/89/37/81/991893781.db2.gz KLJLUFGYHPEMCB-NWDGAFQWSA-N 2 0 242.363 1.402 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)n1nncc1C[NH3+] ZINC001258900356 991894843 /nfs/dbraw/zinc/89/48/43/991894843.db2.gz JWKBQTXDUVQRKC-NSHDSACASA-N 2 0 239.367 1.420 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CC(N(C)C)C1 ZINC001258908106 991900255 /nfs/dbraw/zinc/90/02/55/991900255.db2.gz RKQRKJRQRUYGGC-CYBMUJFWSA-N 2 0 241.423 1.743 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCCO)[C@@H](C)C1 ZINC001319604097 991908739 /nfs/dbraw/zinc/90/87/39/991908739.db2.gz QPFFFNSAJVRBPA-STQMWFEESA-N 2 0 228.380 1.421 20 0 BDADRP CC[C@H](C(=O)N(CC)CC[NH2+]C(C)C)[NH+](C)C ZINC001568791647 992217363 /nfs/dbraw/zinc/21/73/63/992217363.db2.gz PHIYAQMTJNPQTN-GFCCVEGCSA-N 2 0 243.395 1.173 20 0 BDADRP CCC[N@H+](C)CC(=O)N[C@@H](C)CC[NH2+]C(C)C ZINC001320614251 992273568 /nfs/dbraw/zinc/27/35/68/992273568.db2.gz JRCFKXQQDIZNMY-LBPRGKRZSA-N 2 0 243.395 1.221 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+]CC[C@@H](C)[NH2+]C)CCO1 ZINC001261370779 992276584 /nfs/dbraw/zinc/27/65/84/992276584.db2.gz UOUSVVGMYCHXMP-JHJVBQTASA-N 2 0 228.380 1.779 20 0 BDADRP CC[N@@H+]1CCC[C@H](CN[C@H](C)[C@H]2CCC[NH2+]2)C1 ZINC001261423346 992295968 /nfs/dbraw/zinc/29/59/68/992295968.db2.gz UGVPDPYYQKUMKK-MGPQQGTHSA-N 2 0 239.407 1.448 20 0 BDADRP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1cccc(CO)c1 ZINC001261424606 992297049 /nfs/dbraw/zinc/29/70/49/992297049.db2.gz ZDPBVFMBPHHLSM-NWDGAFQWSA-N 2 0 236.359 1.828 20 0 BDADRP [NH3+]CCCCCC(=O)NCc1ccccc1C[NH3+] ZINC001261491849 992338006 /nfs/dbraw/zinc/33/80/06/992338006.db2.gz IKPCFYOCLDNISL-UHFFFAOYSA-N 2 0 249.358 1.281 20 0 BDADRP C[C@H](c1ccccc1)[C@H](O)C[NH2+]C1CC[NH2+]CC1 ZINC001573590179 992644022 /nfs/dbraw/zinc/64/40/22/992644022.db2.gz OLECYLRHGFALLJ-IUODEOHRSA-N 2 0 248.370 1.493 20 0 BDADRP C[NH+](C)Cc1ccc(N[C@@H]2CC[NH2+]C2)c(F)c1 ZINC001573863742 992740901 /nfs/dbraw/zinc/74/09/01/992740901.db2.gz KRKSHNOTXODYMX-LLVKDONJSA-N 2 0 237.322 1.661 20 0 BDADRP COC1CC(C[NH+]2CCC([C@@H]3C[C@H]3[NH3+])CC2)C1 ZINC001573954294 992774438 /nfs/dbraw/zinc/77/44/38/992774438.db2.gz MVBDKYQCPCMZLS-AKUTZHFWSA-N 2 0 238.375 1.471 20 0 BDADRP O[C@]1(C[N@@H+]2CCC[C@@H](C3CC3)C2)CCC[NH2+]C1 ZINC001574440439 992857509 /nfs/dbraw/zinc/85/75/09/992857509.db2.gz DOXVIHBJNDIUCA-ZIAGYGMSSA-N 2 0 238.375 1.223 20 0 BDADRP C1C[C@@H]2C[C@@H](N[C@H]3C[C@H]4CC[C@@H]3[NH2+]4)CC[N@@H+]2C1 ZINC001574794678 992909909 /nfs/dbraw/zinc/90/99/09/992909909.db2.gz HRZQXTNTZMTROF-BJJPWKGXSA-N 2 0 235.375 1.096 20 0 BDADRP C1C[C@@]2(C[NH2+]1)CCCC[N@@H+]([C@H]1CCOC1)C2 ZINC001574801090 992915183 /nfs/dbraw/zinc/91/51/83/992915183.db2.gz NCRIOGFGOSLOBZ-QWHCGFSZSA-N 2 0 224.348 1.241 20 0 BDADRP C([NH2+][C@]12CCC[C@H]1[NH2+]CC2)[C@H]1C[C@]12CCOC2 ZINC001574817107 992921705 /nfs/dbraw/zinc/92/17/05/992921705.db2.gz RCZVXXWXVSXKGX-MQYQWHSLSA-N 2 0 236.359 1.287 20 0 BDADRP C=Cn1cc(C[NH2+][C@@H](C)CCCC[NH3+])cn1 ZINC001574963468 992954034 /nfs/dbraw/zinc/95/40/34/992954034.db2.gz UZYMCMXCYGUQMT-NSHDSACASA-N 2 0 222.336 1.591 20 0 BDADRP CC(C)(C)CC[C@H](CO)[NH2+]CC(C)(C)C[NH3+] ZINC001575130290 992993131 /nfs/dbraw/zinc/99/31/31/992993131.db2.gz IUTFPXHZGZSZHQ-LLVKDONJSA-N 2 0 230.396 1.748 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])C[NH2+][C@H]1C[C@@H](O)C1 ZINC001575130218 992994322 /nfs/dbraw/zinc/99/43/22/992994322.db2.gz GYOQSDOHUODMMI-MXWKQRLJSA-N 2 0 214.353 1.253 20 0 BDADRP CC(C)(C)CC[C@H](CO)[NH2+]CC1(C[NH3+])CC1 ZINC001575131802 992995029 /nfs/dbraw/zinc/99/50/29/992995029.db2.gz WUPWHYBFPCILEH-LLVKDONJSA-N 2 0 228.380 1.502 20 0 BDADRP CC(C)(C)[NH2+]CCC(=O)NC[C@H]1CC[C@@H]([NH3+])C1 ZINC001575140319 992997911 /nfs/dbraw/zinc/99/79/11/992997911.db2.gz FWZPBFHWRXULCB-WDEREUQCSA-N 2 0 241.379 1.008 20 0 BDADRP CC(C)(C)CC[NH+]1CCC2(CC1)C[NH2+]CCO2 ZINC001575133852 992998992 /nfs/dbraw/zinc/99/89/92/992998992.db2.gz ZSUGKYGLDZEMGT-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP c1cc(NC[C@H]2CC[N@@H+]2C2CCCC2)cc[nH+]1 ZINC001262672612 993016171 /nfs/dbraw/zinc/01/61/71/993016171.db2.gz FYGWNDKWLNECIQ-CQSZACIVSA-N 2 0 231.343 1.932 20 0 BDADRP CC(C)([NH3+])CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001575354080 993021251 /nfs/dbraw/zinc/02/12/51/993021251.db2.gz DZGRZGIAIDYYAD-UHFFFAOYSA-N 2 0 241.379 1.104 20 0 BDADRP CC(C)[C@](C)(CO)[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC001575418317 993038083 /nfs/dbraw/zinc/03/80/83/993038083.db2.gz PHJQOBCLKBVIGG-TUAOUCFPSA-N 2 0 214.353 1.110 20 0 BDADRP CC(C)[C@H](C[NH3+])C[NH2+][C@@H]1CC[C@H]([S@@](C)=O)C1 ZINC001575423075 993041220 /nfs/dbraw/zinc/04/12/20/993041220.db2.gz OROZVAWEIIBOFU-LSSIXWDNSA-N 2 0 246.420 1.107 20 0 BDADRP CC(C)[C@H](C[NH3+])C[NH2+]CC[C@@H](O)C1CCCC1 ZINC001575423065 993042408 /nfs/dbraw/zinc/04/24/08/993042408.db2.gz OPJSWQYAZQYPHR-ZIAGYGMSSA-N 2 0 242.407 1.748 20 0 BDADRP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC001575460607 993046867 /nfs/dbraw/zinc/04/68/67/993046867.db2.gz NJWYBVKAXVIKLJ-BSCCGWMCSA-N 2 0 238.375 1.373 20 0 BDADRP CC(C)[C@@H](O)CC[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC001575473614 993054100 /nfs/dbraw/zinc/05/41/00/993054100.db2.gz VNXYIORVCIEOFY-UPJWGTAASA-N 2 0 228.380 1.310 20 0 BDADRP CC(C)[C@H]1C[C@@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)CCO1 ZINC001575498435 993059174 /nfs/dbraw/zinc/05/91/74/993059174.db2.gz JPXLFXIBOOCRHN-RFQIPJPRSA-N 2 0 240.391 1.907 20 0 BDADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001263063332 993096572 /nfs/dbraw/zinc/09/65/72/993096572.db2.gz SMAVNHPFVVPCMI-NWDGAFQWSA-N 2 0 243.395 1.062 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CCCN(C)C1 ZINC001575839264 993111978 /nfs/dbraw/zinc/11/19/78/993111978.db2.gz VHDIZUYOXHPUQL-NWDGAFQWSA-N 2 0 213.369 1.044 20 0 BDADRP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001575941991 993133210 /nfs/dbraw/zinc/13/32/10/993133210.db2.gz ZJWYPNKFJRBIFU-QSAXWINLSA-N 2 0 236.359 1.282 20 0 BDADRP C[C@H](C[C@H]1CCOC1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001575940903 993133962 /nfs/dbraw/zinc/13/39/62/993133962.db2.gz DONCFPUMJUUTNP-NJMOYASZSA-N 2 0 224.348 1.284 20 0 BDADRP C[C@H](CC1CCOCC1)[NH2+][C@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001575940838 993134530 /nfs/dbraw/zinc/13/45/30/993134530.db2.gz CAYOQHYQISWTAA-ZZVYKPCYSA-N 2 0 238.375 1.674 20 0 BDADRP C[C@H](CC[NH+](C)C)C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC001575951977 993136548 /nfs/dbraw/zinc/13/65/48/993136548.db2.gz AQOXASYLDFZGQV-GHMZBOCLSA-N 2 0 243.395 1.064 20 0 BDADRP C[C@@H](CC[NH3+])[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC001575962353 993140389 /nfs/dbraw/zinc/14/03/89/993140389.db2.gz PUVHYXULYNBYRX-MCDVFOBDSA-N 2 0 224.348 1.127 20 0 BDADRP C[C@@H](CCN[C@H]1CC[NH2+]CC(C)(C)C1)[NH+](C)C ZINC001575966879 993143345 /nfs/dbraw/zinc/14/33/45/993143345.db2.gz ISMZDJRJXUOTIT-STQMWFEESA-N 2 0 241.423 1.694 20 0 BDADRP C[NH2+]C1(C(=O)N(C)CCCCCC[NH3+])CCC1 ZINC001263179534 993149308 /nfs/dbraw/zinc/14/93/08/993149308.db2.gz PSCRSNMECAHTNZ-UHFFFAOYSA-N 2 0 241.379 1.106 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]Cc1cnn2ccccc12 ZINC001575988254 993151853 /nfs/dbraw/zinc/15/18/53/993151853.db2.gz KYIKKBJPLDGFST-JTQLQIEISA-N 2 0 218.304 1.019 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]Cc1cccc2nccn21 ZINC001575989394 993154051 /nfs/dbraw/zinc/15/40/51/993154051.db2.gz XIPWEUPLDSEBPM-SNVBAGLBSA-N 2 0 218.304 1.019 20 0 BDADRP C[C@@H](CO)[N@H+](CC1CCC1)C[C@@H]1C[NH2+]C[C@H]1C ZINC001576038509 993162083 /nfs/dbraw/zinc/16/20/83/993162083.db2.gz VZYYYFQNBWYSOS-DYEKYZERSA-N 2 0 240.391 1.325 20 0 BDADRP C[C@](CO)([NH2+]C[C@H]1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC001576035929 993162675 /nfs/dbraw/zinc/16/26/75/993162675.db2.gz FOMQYOCJKKHTIR-NWANDNLSSA-N 2 0 248.370 1.611 20 0 BDADRP C[C@H](COCC1CC1)[NH2+]C[C@H]([NH3+])CC(F)F ZINC001576038956 993163671 /nfs/dbraw/zinc/16/36/71/993163671.db2.gz APJJETIVRCMSPB-PSASIEDQSA-N 2 0 236.306 1.374 20 0 BDADRP CC(C)OC[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]CC1 ZINC001576041537 993165402 /nfs/dbraw/zinc/16/54/02/993165402.db2.gz PLEQIXVBZIGEFL-QWHCGFSZSA-N 2 0 228.380 1.779 20 0 BDADRP C[C@H](Cc1ccno1)[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC001576065637 993169677 /nfs/dbraw/zinc/16/96/77/993169677.db2.gz GOIJYXAHXOXRKR-DVVUODLYSA-N 2 0 223.320 1.321 20 0 BDADRP C[C@H](Cc1ccno1)[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC001576066316 993171063 /nfs/dbraw/zinc/17/10/63/993171063.db2.gz MTMOVRPEXFMOJF-MXWKQRLJSA-N 2 0 223.320 1.323 20 0 BDADRP C[C@H]([NH3+])CN1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC001576157452 993194703 /nfs/dbraw/zinc/19/47/03/993194703.db2.gz RCQZVHAJRVNEBF-AEGPPILISA-N 2 0 248.370 1.432 20 0 BDADRP CCc1ccc(C[NH+]2CCC(C[NH3+])CC2)nc1 ZINC000379113718 993220463 /nfs/dbraw/zinc/22/04/63/993220463.db2.gz KFZXOBPEXUYALM-UHFFFAOYSA-N 2 0 233.359 1.815 20 0 BDADRP C[C@H](O)[C@H](C)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC001576264394 993239549 /nfs/dbraw/zinc/23/95/49/993239549.db2.gz JZGVUHVZOVBZIG-GVXVVHGQSA-N 2 0 226.364 1.077 20 0 BDADRP C[C@@H](c1ccccc1)[C@H](O)C[N@H+](C)C1CC([NH3+])C1 ZINC001576312477 993257542 /nfs/dbraw/zinc/25/75/42/993257542.db2.gz YOYQGCOCBFJMOM-VYESFELBSA-N 2 0 248.370 1.573 20 0 BDADRP CC1(C)C[C@H]([NH2+]C[C@@H]2CCC[NH2+]CC2)CO1 ZINC001576393806 993294318 /nfs/dbraw/zinc/29/43/18/993294318.db2.gz KZZOKPYCFUOHBE-NEPJUHHUSA-N 2 0 226.364 1.533 20 0 BDADRP CC1(C)CO[C@H](CC[NH2+]C2CC3(C[C@@H]3[NH3+])C2)C1 ZINC001576484219 993318877 /nfs/dbraw/zinc/31/88/77/993318877.db2.gz PJZPUYSCCGNTFW-BEVNXUHPSA-N 2 0 238.375 1.661 20 0 BDADRP C[C@@]1(C[NH2+]C[C@H]2[C@@H]3C[NH2+]C[C@H]23)CCCCO1 ZINC001576519253 993329402 /nfs/dbraw/zinc/32/94/02/993329402.db2.gz LLCFGOPKEGLPBJ-LOWDOPEQSA-N 2 0 224.348 1.001 20 0 BDADRP C[C@@]1(C[NH2+][C@H]2CCCOC2)CCC[NH2+]C1 ZINC001576520137 993329864 /nfs/dbraw/zinc/32/98/64/993329864.db2.gz ZANGWJJVGAQOKG-NWDGAFQWSA-N 2 0 212.337 1.145 20 0 BDADRP O[C@H](CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000380820858 993351797 /nfs/dbraw/zinc/35/17/97/993351797.db2.gz XPJFARNNPIGSNZ-QLFBSQMISA-N 2 0 246.354 1.261 20 0 BDADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@]1(O)CC[NH2+]C1 ZINC001576581519 993352720 /nfs/dbraw/zinc/35/27/20/993352720.db2.gz BZYBSZDXEIMDJL-MDZLAQPJSA-N 2 0 226.364 1.125 20 0 BDADRP C[C@@H]1C[C@@H](C)C[NH+](CCN[C@H](C[NH3+])C2CC2)C1 ZINC001576590908 993361662 /nfs/dbraw/zinc/36/16/62/993361662.db2.gz DGSFHWAORBPTMC-YRGRVCCFSA-N 2 0 239.407 1.291 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+]C[C@@]2(C)CCCCO2)CC[NH2+]1 ZINC001576599384 993362882 /nfs/dbraw/zinc/36/28/82/993362882.db2.gz UMEQLHYSSFRECF-HZSPNIEDSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C2CC3(CC([NH3+])C3)C2)CCO1 ZINC001576623998 993373692 /nfs/dbraw/zinc/37/36/92/993373692.db2.gz OEAPVRHWPIDYPI-JFWOKELFSA-N 2 0 224.348 1.413 20 0 BDADRP C[C@@H]1CC[C@H](N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)C[NH2+]1 ZINC001576665883 993387319 /nfs/dbraw/zinc/38/73/19/993387319.db2.gz HUBWMKWISOSCRF-RKQHYHRCSA-N 2 0 237.391 1.057 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CCC[NH2+]C2)[C@@H](C)C1 ZINC001576670440 993387787 /nfs/dbraw/zinc/38/77/87/993387787.db2.gz IFSFHLDKQXVGKR-ZOBORPQBSA-N 2 0 240.391 1.515 20 0 BDADRP C[C@@H]1CC[C@@H](NC[C@@H]2C[NH+]3CCC2CC3)C[NH2+]1 ZINC001576669933 993388863 /nfs/dbraw/zinc/38/88/63/993388863.db2.gz CXTAFEPRFQSDCP-MRVWCRGKSA-N 2 0 237.391 1.058 20 0 BDADRP C[C@@H]1CCC[C@@H](C[NH2+]CC2C[NH2+]C2)[C@H]1C ZINC001576678339 993391399 /nfs/dbraw/zinc/39/13/99/993391399.db2.gz NHAWQXVTOBYXRO-MDZLAQPJSA-N 2 0 210.365 1.868 20 0 BDADRP C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC001576680990 993393522 /nfs/dbraw/zinc/39/35/22/993393522.db2.gz YBTHGZZLNFLMRG-DOMZBBRYSA-N 2 0 248.370 1.786 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@H]2CCCC[NH2+]C2)C[C@@H]1CO ZINC001576728987 993403556 /nfs/dbraw/zinc/40/35/56/993403556.db2.gz BKTZFCILYQWLCP-HZSPNIEDSA-N 2 0 240.391 1.326 20 0 BDADRP C[C@@H](CN(C)C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000381536705 993405550 /nfs/dbraw/zinc/40/55/50/993405550.db2.gz FWPMTDUOGVJXPZ-HIFPTAJRSA-N 2 0 227.396 1.399 20 0 BDADRP C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC001576731937 993408679 /nfs/dbraw/zinc/40/86/79/993408679.db2.gz PQKBGCBNAZNZOI-POQQGIQPSA-N 2 0 240.391 1.323 20 0 BDADRP COC(=O)CC[C@H](C)[NH2+]C[C@H]1CCCN1C ZINC000381701332 993417612 /nfs/dbraw/zinc/41/76/12/993417612.db2.gz IMAHQPIXRRMTHG-WDEREUQCSA-N 2 0 228.336 1.012 20 0 BDADRP C[NH+](C)C1CCC([NH2+]C(C)(C)CCO)CC1 ZINC000381757722 993424141 /nfs/dbraw/zinc/42/41/41/993424141.db2.gz SPFBXAUNVFCRFA-UHFFFAOYSA-N 2 0 228.380 1.610 20 0 BDADRP C[C@H]1C[N@H+](C[C@]2(O)CC[NH2+]C2)CC(C)(C)C1 ZINC001576799783 993425451 /nfs/dbraw/zinc/42/54/51/993425451.db2.gz CNZPXQFCLVDGIT-YPMHNXCESA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2C[C@H]2c2cnn(C)c2)CC[C@@H]1[NH3+] ZINC001576806041 993429013 /nfs/dbraw/zinc/42/90/13/993429013.db2.gz ALWITKBWAFVTNM-WVWOOGAGSA-N 2 0 248.374 1.193 20 0 BDADRP C[C@@H]1Cc2n[nH]cc2C[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC001576861801 993438139 /nfs/dbraw/zinc/43/81/39/993438139.db2.gz HYAZJZCTQNDBIM-VXGBXAGGSA-N 2 0 248.374 1.404 20 0 BDADRP C[C@@H]1CSC[C@@H]1[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC001576860899 993439489 /nfs/dbraw/zinc/43/94/89/993439489.db2.gz NUWYKIWHBJLGPZ-KKOKHZNYSA-N 2 0 228.405 1.573 20 0 BDADRP C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1C[C@H]1CCC[N@@H+]1C ZINC001576880934 993442963 /nfs/dbraw/zinc/44/29/63/993442963.db2.gz JINGOSIPRBEJIL-YVECIDJPSA-N 2 0 225.380 1.151 20 0 BDADRP Cc1cc(N[C@H]2CCC[C@H]([NH3+])C2)cc(C)[nH+]1 ZINC000382439790 993458949 /nfs/dbraw/zinc/45/89/49/993458949.db2.gz ZMOMKTCFFQCDQH-RYUDHWBXSA-N 2 0 219.332 1.802 20 0 BDADRP CC[C@@](C)(C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)OC ZINC001576949876 993464402 /nfs/dbraw/zinc/46/44/02/993464402.db2.gz TYDFGKYDAUQOOJ-UONOGXRCSA-N 2 0 240.391 1.877 20 0 BDADRP CC[C@@H](C)[C@@H](C[N@H+](C)CCC[NH2+]C)OC ZINC001576960483 993468101 /nfs/dbraw/zinc/46/81/01/993468101.db2.gz DVXJZADGRIWVGR-VXGBXAGGSA-N 2 0 216.369 1.589 20 0 BDADRP CC[C@H](C)[C@@H](CN[C@H](C)C[NH2+]C)OC ZINC001576972564 993470088 /nfs/dbraw/zinc/47/00/88/993470088.db2.gz SYFYRTLLDRALAQ-HBNTYKKESA-N 2 0 202.342 1.245 20 0 BDADRP CC[C@@H](C)[C@H](C(=O)OC)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC001576965739 993472753 /nfs/dbraw/zinc/47/27/53/993472753.db2.gz DHJZDVGTYQFIMB-DDHJBXDOSA-N 2 0 242.363 1.101 20 0 BDADRP CC[C@H](C[NH2+][C@@H]1CCCC[C@H]1[NH3+])OC ZINC001577090579 993497711 /nfs/dbraw/zinc/49/77/11/993497711.db2.gz SWJCWAWFJFRHRZ-GMTAPVOTSA-N 2 0 200.326 1.271 20 0 BDADRP Cc1noc(C)c1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000383679791 993511927 /nfs/dbraw/zinc/51/19/27/993511927.db2.gz QLRYSIHGMUGSNX-LBPRGKRZSA-N 2 0 237.347 1.852 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@H](COC)CC1CCOCC1 ZINC001577124777 993514194 /nfs/dbraw/zinc/51/41/94/993514194.db2.gz QITGJECDDCFTAN-STQMWFEESA-N 2 0 244.379 1.145 20 0 BDADRP CC[C@H]([NH2+]C1CC2(C[C@H]2[NH3+])C1)C(C)(C)O ZINC001577175938 993530893 /nfs/dbraw/zinc/53/08/93/993530893.db2.gz NAIIBWUPTWNNAJ-OWNCLDLKSA-N 2 0 212.337 1.005 20 0 BDADRP CC[C@H]([NH2+]C1CC2(C[C@@H]2[NH3+])C1)[C@@H](O)C(C)C ZINC001577175569 993534317 /nfs/dbraw/zinc/53/43/17/993534317.db2.gz BOWMYPKPPDGNKY-MAHHCSCLSA-N 2 0 226.364 1.251 20 0 BDADRP CC[C@@H]([NH2+]C[C@@H]([NH3+])CCOC)C1CCOCC1 ZINC001577175859 993534968 /nfs/dbraw/zinc/53/49/68/993534968.db2.gz JXSMUQNMUKFUDN-QWHCGFSZSA-N 2 0 244.379 1.145 20 0 BDADRP CC[C@H]1CCC[C@@H]([NH2+]C[C@H]2C[NH2+]C[C@H]2O)C1 ZINC001577246900 993551426 /nfs/dbraw/zinc/55/14/26/993551426.db2.gz VZEHTXYUWAAMSS-UMSGYPCISA-N 2 0 226.364 1.125 20 0 BDADRP CCC[C@@H](CCO)[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001577358180 993590982 /nfs/dbraw/zinc/59/09/82/993590982.db2.gz SPAIPRCFGHKHFF-UZEXVOJHSA-N 2 0 212.337 1.007 20 0 BDADRP CCC[C@@](C)(O)C[NH2+]C[C@@H](N)CC(F)(F)F ZINC001577330773 993595783 /nfs/dbraw/zinc/59/57/83/993595783.db2.gz GDIXVFIBCGSTPU-DTWKUNHWSA-N 2 0 242.285 1.407 20 0 BDADRP CCC[C@@]1(C)CCC[N@H+](C[C@@H](O)C[NH2+]C)C1 ZINC001577371657 993627604 /nfs/dbraw/zinc/62/76/04/993627604.db2.gz GCBUIPSIXSGSBR-STQMWFEESA-N 2 0 228.380 1.469 20 0 BDADRP C[N@H+](CCCC[NH3+])C[C@@H]1Cc2ccccc2O1 ZINC000385068221 993647716 /nfs/dbraw/zinc/64/77/16/993647716.db2.gz CJUVGNBVCYVOBI-ZDUSSCGKSA-N 2 0 234.343 1.661 20 0 BDADRP CCCCC1([NH2+]C[C@@H](O)CC[NH3+])CC1 ZINC001577419423 993659730 /nfs/dbraw/zinc/65/97/30/993659730.db2.gz RBWSYPFRSNDZBV-JTQLQIEISA-N 2 0 200.326 1.009 20 0 BDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]([NH3+])C(C)C ZINC001577445412 993665526 /nfs/dbraw/zinc/66/55/26/993665526.db2.gz RJZYONYBBGUMRA-VXGBXAGGSA-N 2 0 243.395 1.206 20 0 BDADRP CCCN(C[C@@H]1CC[NH2+]C1)[C@H](C)C(=O)OCC ZINC001577516279 993675819 /nfs/dbraw/zinc/67/58/19/993675819.db2.gz JWHAUYQTSAZUOV-VXGBXAGGSA-N 2 0 242.363 1.260 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC001577510251 993675984 /nfs/dbraw/zinc/67/59/84/993675984.db2.gz HKULHHNMDDQFAJ-SRVKXCTJSA-N 2 0 243.395 1.206 20 0 BDADRP CCCN(CCC[NH+](C)C)C(=O)CC1([NH3+])CC1 ZINC001577519089 993677336 /nfs/dbraw/zinc/67/73/36/993677336.db2.gz HAFIIHGNBSNMLV-UHFFFAOYSA-N 2 0 241.379 1.058 20 0 BDADRP CCC[NH2+][C@@H](C)C(=O)N[C@H](C[NH+](C)C)C(C)C ZINC001577551331 993684166 /nfs/dbraw/zinc/68/41/66/993684166.db2.gz PJZMBNJIAYULLF-NWDGAFQWSA-N 2 0 243.395 1.077 20 0 BDADRP C[N@H+](CCN[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000386807939 993695686 /nfs/dbraw/zinc/69/56/86/993695686.db2.gz CZFNBKZEUSYSNW-OAHLLOKOSA-N 2 0 247.386 1.460 20 0 BDADRP CCN(CC)C(=O)C[NH2+]CC(CC)(CC)C[NH3+] ZINC001577674754 993718019 /nfs/dbraw/zinc/71/80/19/993718019.db2.gz GOFOOOMQUKUGTP-UHFFFAOYSA-N 2 0 243.395 1.210 20 0 BDADRP C[C@H]1CC[C@@H]([NH2+]CCSCC[NH3+])C1 ZINC000389789682 993763713 /nfs/dbraw/zinc/76/37/13/993763713.db2.gz KVHVEGHQEXHAJF-VHSXEESVSA-N 2 0 202.367 1.457 20 0 BDADRP CC1(C)C[N@@H+](C2CC[NH2+]CC2)CCCO1 ZINC000389864940 993768956 /nfs/dbraw/zinc/76/89/56/993768956.db2.gz GGTQHWPQRDSONI-UHFFFAOYSA-N 2 0 212.337 1.239 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]C1CCOCC1 ZINC000390535811 993794627 /nfs/dbraw/zinc/79/46/27/993794627.db2.gz KBRFUQUYHLYFNH-LBPRGKRZSA-N 2 0 228.380 1.875 20 0 BDADRP Cn1cccc1C[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC000390568359 993795136 /nfs/dbraw/zinc/79/51/36/993795136.db2.gz UJUUFAQRYZYJII-GFCCVEGCSA-N 2 0 221.348 1.599 20 0 BDADRP COc1cncc(CN2CCCC[C@H](C[NH3+])C2)c1 ZINC000700050425 993817407 /nfs/dbraw/zinc/81/74/07/993817407.db2.gz DVINQIWGEOWYTE-GFCCVEGCSA-N 2 0 249.358 1.651 20 0 BDADRP c1ccc2c(c1)CC[C@H](C[NH2+]C1CC[NH2+]CC1)O2 ZINC000700363811 993829749 /nfs/dbraw/zinc/82/97/49/993829749.db2.gz CZGPYOPYERUWHX-CQSZACIVSA-N 2 0 246.354 1.722 20 0 BDADRP CC(C)O[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000701664639 993896099 /nfs/dbraw/zinc/89/60/99/993896099.db2.gz YNBWZKAGXFNCSI-ZDUSSCGKSA-N 2 0 226.364 1.485 20 0 BDADRP CC[NH+](CC)C[C@@H](O)C[NH2+]CC1CC(C)(C)C1 ZINC000701933808 993941059 /nfs/dbraw/zinc/94/10/59/993941059.db2.gz KOEOWCNWULLRPU-ZDUSSCGKSA-N 2 0 242.407 1.715 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+][C@@H](CO)C(C)(C)C)CC1 ZINC000393988161 994027189 /nfs/dbraw/zinc/02/71/89/994027189.db2.gz NYQPSCFCUNVPNL-NEPJUHHUSA-N 2 0 228.380 1.467 20 0 BDADRP CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)C(C)C)[NH+](C)C ZINC001282413821 994233338 /nfs/dbraw/zinc/23/33/38/994233338.db2.gz TWHRGGUKBUPQQD-VXGBXAGGSA-N 2 0 243.395 1.172 20 0 BDADRP CC[NH2+]CCC[C@@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001283238377 994270294 /nfs/dbraw/zinc/27/02/94/994270294.db2.gz HNQZVZTZHPYKAY-NEPJUHHUSA-N 2 0 243.395 1.221 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH2+][C@H]1CCCSC1 ZINC000822127074 994417693 /nfs/dbraw/zinc/41/76/93/994417693.db2.gz FFAKEAJWNZEFFH-RYUDHWBXSA-N 2 0 228.405 1.956 20 0 BDADRP Nc1nccc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)n1 ZINC001338030392 995225391 /nfs/dbraw/zinc/22/53/91/995225391.db2.gz YOKKVIUGRULFAQ-QWRGUYRKSA-N 2 0 247.346 1.488 20 0 BDADRP C[C@@H]1C[NH+](CCC2CC[NH2+]CC2)C[C@H]1C ZINC000086010235 136211865 /nfs/dbraw/zinc/21/18/65/136211865.db2.gz XWSBOEJYIXKJMF-VXGBXAGGSA-N 2 0 210.365 1.964 20 0 BDADRP CC(C)[C@H](CO)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000336762204 187322797 /nfs/dbraw/zinc/32/27/97/187322797.db2.gz NXWSYUHWDHIVPG-NEPJUHHUSA-N 2 0 214.353 1.077 20 0 BDADRP COC[C@@H](C)C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000580269763 346815341 /nfs/dbraw/zinc/81/53/41/346815341.db2.gz VJKJDAPWDPFFCC-ZDUSSCGKSA-N 2 0 242.407 1.981 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCOc1cccc(F)c1 ZINC000422942130 398159158 /nfs/dbraw/zinc/15/91/58/398159158.db2.gz KEATYSAOUDUOEM-WDEREUQCSA-N 2 0 240.322 1.920 20 0 BDADRP CS[C@H](C)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422941701 398159395 /nfs/dbraw/zinc/15/93/95/398159395.db2.gz VLSFLDWAPRBGMW-KPPDAEKUSA-N 2 0 216.394 1.845 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000415012872 398154397 /nfs/dbraw/zinc/15/43/97/398154397.db2.gz XWRGXYRPMPQELS-CHWSQXEVSA-N 3 0 239.407 1.578 20 0 BDADRP Cc1sccc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000379797939 398168788 /nfs/dbraw/zinc/16/87/88/398168788.db2.gz KZIXEDNRVIMWAZ-RYUDHWBXSA-N 2 0 222.357 1.708 20 0 BDADRP CC1(C)C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCCO1 ZINC000379947463 398178068 /nfs/dbraw/zinc/17/80/68/398178068.db2.gz ZGBBNTOHHAIKRM-ZDUSSCGKSA-N 2 0 240.391 1.877 20 0 BDADRP C[NH2+]CCC[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424291353 398180813 /nfs/dbraw/zinc/18/08/13/398180813.db2.gz NPKUSDJMMKXRGV-GFCCVEGCSA-N 3 0 225.380 1.060 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000423019746 398161370 /nfs/dbraw/zinc/16/13/70/398161370.db2.gz WZTQLIWFJZJVAJ-NDBYEHHHSA-N 2 0 226.364 1.674 20 0 BDADRP CCCNC(=O)C1([NH2+]CCC[NH3+])CCCCC1 ZINC000415096633 398161525 /nfs/dbraw/zinc/16/15/25/398161525.db2.gz BUVVDFVFMPHVDP-UHFFFAOYSA-N 2 0 241.379 1.154 20 0 BDADRP c1cc(CC[NH2+]C2CC[NH2+]CC2)cc2c1OCO2 ZINC000258769406 349514389 /nfs/dbraw/zinc/51/43/89/349514389.db2.gz AYIPCEZOALPVHZ-UHFFFAOYSA-N 2 0 248.326 1.299 20 0 BDADRP C[C@H]([NH2+][C@@H](CO)CC1CCCC1)C1C[NH2+]C1 ZINC000423023511 398163408 /nfs/dbraw/zinc/16/34/08/398163408.db2.gz JUFWMLGWHQZWCL-GXFFZTMASA-N 2 0 226.364 1.125 20 0 BDADRP C[C@@H](CC(N)=O)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000341984275 398185929 /nfs/dbraw/zinc/18/59/29/398185929.db2.gz YMQGZVIUJBWUDV-QWRGUYRKSA-N 2 0 243.395 1.206 20 0 BDADRP Cc1cc(F)ccc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050580341 178085280 /nfs/dbraw/zinc/08/52/80/178085280.db2.gz NSFNHIIUSCNZJO-LLVKDONJSA-N 2 0 222.307 1.915 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)c1ccccc1CC[NH3+] ZINC000576236576 365531681 /nfs/dbraw/zinc/53/16/81/365531681.db2.gz UDFWNEOLTAHPJY-MNOVXSKESA-N 2 0 249.358 1.043 20 0 BDADRP C[C@@H]([NH2+]C1CCC(CO)CC1)[C@H]1CCCC[NH2+]1 ZINC000386007373 398194102 /nfs/dbraw/zinc/19/41/02/398194102.db2.gz LXYUMJQNINQUKO-BLYZHGLHSA-N 2 0 240.391 1.658 20 0 BDADRP Cc1nccnc1[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000187964960 398195471 /nfs/dbraw/zinc/19/54/71/398195471.db2.gz GUMKTYDRWHJTQP-LBPRGKRZSA-N 2 0 248.374 1.777 20 0 BDADRP Cc1cc(N2CC[NH+]3CCC2CC3)cc[nH+]1 ZINC000302768884 178116861 /nfs/dbraw/zinc/11/68/61/178116861.db2.gz MMDFKHVYJHJFMM-UHFFFAOYSA-N 2 0 217.316 1.674 20 0 BDADRP C[C@H]1OCC[N@H+](CCCC2CC[NH2+]CC2)[C@@H]1C ZINC000380588348 398201515 /nfs/dbraw/zinc/20/15/15/398201515.db2.gz SCBNHUFZRDZPPM-CHWSQXEVSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])CC(F)F ZINC000647800626 398206681 /nfs/dbraw/zinc/20/66/81/398206681.db2.gz HZUINWMYZMWCCR-LPEHRKFASA-N 2 0 220.307 1.995 20 0 BDADRP c1cnn(CC[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000649408926 398208419 /nfs/dbraw/zinc/20/84/19/398208419.db2.gz JKLVHIZBSZFDHL-UHFFFAOYSA-N 2 0 234.347 1.100 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1C ZINC000380980442 398215819 /nfs/dbraw/zinc/21/58/19/398215819.db2.gz CHGXLPNFZFJTGS-STQMWFEESA-N 2 0 228.380 1.562 20 0 BDADRP Cc1cc(NCC2CC[NH+](CCO)CC2)cc[nH+]1 ZINC000302542376 178158538 /nfs/dbraw/zinc/15/85/38/178158538.db2.gz FZHJYKZKBVWDSA-UHFFFAOYSA-N 2 0 249.358 1.506 20 0 BDADRP CN(CC[N@H+](C)C[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000649413009 398211333 /nfs/dbraw/zinc/21/13/33/398211333.db2.gz HKHADRCPGJGDBN-AWEZNQCLSA-N 2 0 247.386 1.664 20 0 BDADRP C[C@@H]1C[C@@H](N(C)C[C@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000649413857 398211781 /nfs/dbraw/zinc/21/17/81/398211781.db2.gz NRBMPSOFPVMPGS-AGIUHOORSA-N 2 0 225.380 1.010 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+]CC2([NH3+])CCC2)C1 ZINC000643517920 398231249 /nfs/dbraw/zinc/23/12/49/398231249.db2.gz AVWLZCFAEBZHQQ-GHMZBOCLSA-N 2 0 212.337 1.415 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2CCCO2)c2ccccc21 ZINC000252782481 136227109 /nfs/dbraw/zinc/22/71/09/136227109.db2.gz NJNJLDKYGPFIOA-HONMWMINSA-N 2 0 232.327 1.900 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[C@H]2O)C1 ZINC000576479980 365607950 /nfs/dbraw/zinc/60/79/50/365607950.db2.gz SPKZMMKVYCVGSZ-NNYUYHANSA-N 2 0 212.337 1.007 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCc1ccc2c(c1)OCO2 ZINC000258932383 349536224 /nfs/dbraw/zinc/53/62/24/349536224.db2.gz JMTVLQXHCVUPTQ-NEPJUHHUSA-N 2 0 248.326 1.427 20 0 BDADRP C[C@@H](CO)[N@H+](C)CCC[NH+]1CCCCC1 ZINC000162052346 349539055 /nfs/dbraw/zinc/53/90/55/349539055.db2.gz AWNVHPUQAJLVAR-LBPRGKRZSA-N 2 0 214.353 1.175 20 0 BDADRP CC[C@H](C)[C@@H](C[NH2+]C[C@H]1CCC[N@H+](C)C1)OC ZINC000381337594 398252253 /nfs/dbraw/zinc/25/22/53/398252253.db2.gz AUEJXUFGEUESIB-BFHYXJOUSA-N 2 0 242.407 1.979 20 0 BDADRP C[NH2+]C[C@](C)(O)C[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000576708100 365665963 /nfs/dbraw/zinc/66/59/63/365665963.db2.gz DKQLMQUQAIADNT-LPWJVIDDSA-N 2 0 228.380 1.371 20 0 BDADRP CCn1cncc1CN1CCC[C@H]([NH+](C)C)C1 ZINC000417758278 398258955 /nfs/dbraw/zinc/25/89/55/398258955.db2.gz GLNPAKHPCDSSTE-LBPRGKRZSA-N 2 0 236.363 1.429 20 0 BDADRP CC1([NH3+])CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000381787542 398254848 /nfs/dbraw/zinc/25/48/48/398254848.db2.gz ZGULFASOGNEOPG-LLVKDONJSA-N 2 0 212.337 1.226 20 0 BDADRP Cc1cc(C)n(CC[N@H+]2C[C@H](C[NH3+])C[C@H]2C)n1 ZINC000386834922 398266380 /nfs/dbraw/zinc/26/63/80/398266380.db2.gz WOUCKRLHLWSFTN-YPMHNXCESA-N 2 0 236.363 1.169 20 0 BDADRP CCC(CC)[N@H+](CCOC)CC(C)(C)[NH3+] ZINC000042681744 168373539 /nfs/dbraw/zinc/37/35/39/168373539.db2.gz ZAJUENOHDLRJBE-UHFFFAOYSA-N 2 0 216.369 1.861 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCS1 ZINC000251271767 398268664 /nfs/dbraw/zinc/26/86/64/398268664.db2.gz LYHXPYPYOBLPQZ-TUAOUCFPSA-N 2 0 228.405 1.989 20 0 BDADRP FC1(F)C[C@]12CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC000650514501 398276625 /nfs/dbraw/zinc/27/66/25/398276625.db2.gz MUKKHRNNPGJVRX-NSHDSACASA-N 2 0 230.302 1.717 20 0 BDADRP CCC(CC)NC(=O)[C@@H](C)N(C)CCC[NH2+]C ZINC000124912249 168381761 /nfs/dbraw/zinc/38/17/61/168381761.db2.gz XRHSKRFWJFBXEJ-LLVKDONJSA-N 2 0 243.395 1.221 20 0 BDADRP C[C@@]1(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)CC[NH2+]C1 ZINC000126295806 398281204 /nfs/dbraw/zinc/28/12/04/398281204.db2.gz NAWATUIMPMSIED-FRRDWIJNSA-N 2 0 208.349 1.718 20 0 BDADRP C[C@H]1CC[N@H+](Cc2cccc(N)c2)C[C@H]1C[NH3+] ZINC000335610923 136237300 /nfs/dbraw/zinc/23/73/00/136237300.db2.gz HCAXYXNUHMOGFA-WCQYABFASA-N 2 0 233.359 1.686 20 0 BDADRP C(C[NH2+]C1CSC1)C[NH+]1CCCCC1 ZINC000379611641 538978831 /nfs/dbraw/zinc/97/88/31/538978831.db2.gz URHOPMFLBFNUCH-UHFFFAOYSA-N 2 0 214.378 1.567 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCCN(C)C1)C1CC[NH+](C)CC1 ZINC000040672694 538972907 /nfs/dbraw/zinc/97/29/07/538972907.db2.gz WNOARXGTKWIIPU-OCCSQVGLSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@@H]([NH2+]Cc1nccs1)C1CC[NH+](C)CC1 ZINC000041012496 538973988 /nfs/dbraw/zinc/97/39/88/538973988.db2.gz PWUZBGRYPXYUJX-SNVBAGLBSA-N 2 0 239.388 1.963 20 0 BDADRP C[C@H]([NH2+]C[C@](C)(O)C1CC1)C1CC[NH+](C)CC1 ZINC000383927659 539012483 /nfs/dbraw/zinc/01/24/83/539012483.db2.gz SBCZTXBVZAGDTP-FZMZJTMJSA-N 2 0 240.391 1.467 20 0 BDADRP COCC(C)(C)C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000381110558 538995127 /nfs/dbraw/zinc/99/51/27/538995127.db2.gz ZVCBTBZFFFNDQF-LBPRGKRZSA-N 2 0 228.380 1.590 20 0 BDADRP C[N@@H+]1CC[C@@H](NC2C[NH2+]C2)C[C@H]1c1ccccc1 ZINC000335626074 136240823 /nfs/dbraw/zinc/24/08/23/136240823.db2.gz XDYWCVFTUKMIKG-HIFRSBDPSA-N 2 0 245.370 1.383 20 0 BDADRP Cn1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC000335634082 136241550 /nfs/dbraw/zinc/24/15/50/136241550.db2.gz MBAJEZLMRACDHQ-UONOGXRCSA-N 2 0 248.374 1.242 20 0 BDADRP C[C@@H](CCCCO)[NH2+]CCC[NH+](C)C ZINC000389294507 539015876 /nfs/dbraw/zinc/01/58/76/539015876.db2.gz JLMYXNVAZXAIGL-NSHDSACASA-N 2 0 202.342 1.079 20 0 BDADRP Cn1nccc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000335634217 136241917 /nfs/dbraw/zinc/24/19/17/136241917.db2.gz NSQXKOAFABTUCH-QWHCGFSZSA-N 2 0 248.374 1.242 20 0 BDADRP Cc1ccc(CN[C@H]2CC[NH2+]C2)cc1F ZINC000335644675 136243625 /nfs/dbraw/zinc/24/36/25/136243625.db2.gz XCVBYUMEBCSUPP-NSHDSACASA-N 2 0 208.280 1.586 20 0 BDADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H]2CCn3ccnc32)CC1 ZINC000333282996 398316890 /nfs/dbraw/zinc/31/68/90/398316890.db2.gz MUETTYKFQLZKIZ-AVGNSLFASA-N 2 0 248.374 1.683 20 0 BDADRP Cc1n[nH]c(C)c1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000336478598 398319833 /nfs/dbraw/zinc/31/98/33/398319833.db2.gz UAHBIARNEINHPW-JOYOIKCWSA-N 2 0 236.363 1.586 20 0 BDADRP [NH3+]C1CC[NH+](CCCc2ccncc2)CC1 ZINC000116394716 342925743 /nfs/dbraw/zinc/92/57/43/342925743.db2.gz MDDGTMNVDVRAJD-UHFFFAOYSA-N 2 0 219.332 1.437 20 0 BDADRP Cc1ccc(CNC[C@H]([NH3+])C2CC2)s1 ZINC000399485210 398326324 /nfs/dbraw/zinc/32/63/24/398326324.db2.gz RKWFJKQQGJNNOJ-NSHDSACASA-N 2 0 210.346 1.883 20 0 BDADRP C[C@@H]1CC[C@@H]([N@H+](C)C[C@@H](O)CN(C)C2CC2)C1 ZINC000351618780 136248177 /nfs/dbraw/zinc/24/81/77/136248177.db2.gz IMOIWONXUXTRHM-BNOWGMLFSA-N 2 0 240.391 1.562 20 0 BDADRP COC1CC([NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000234689297 342933527 /nfs/dbraw/zinc/93/35/27/342933527.db2.gz BNJYSNSFDGMFET-HIFPTAJRSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@H](F)CC[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000351730528 136250482 /nfs/dbraw/zinc/25/04/82/136250482.db2.gz PHZSIZRRVQMGPU-ZDUSSCGKSA-N 2 0 245.386 1.304 20 0 BDADRP C[C@H]([NH3+])CC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000037825065 398334715 /nfs/dbraw/zinc/33/47/15/398334715.db2.gz DLCBIPCAMLWLHW-NSHDSACASA-N 2 0 241.379 1.057 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CC(C1CC1)C1CC1 ZINC000234779049 342942514 /nfs/dbraw/zinc/94/25/14/342942514.db2.gz NISAFLMNNIYPNG-ZDUSSCGKSA-N 2 0 240.391 1.766 20 0 BDADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC1=[NH+]CCCN1 ZINC000448103556 398340076 /nfs/dbraw/zinc/34/00/76/398340076.db2.gz UMSCHQPHVUGRQR-NSHDSACASA-N 2 0 238.379 1.046 20 0 BDADRP c1cn(-c2csc(C[NH2+][C@@H]3CCOC3)c2)cn1 ZINC000643802541 398340301 /nfs/dbraw/zinc/34/03/01/398340301.db2.gz NCCJOLQVARYCOI-SNVBAGLBSA-N 2 0 249.339 1.812 20 0 BDADRP CCc1ccccc1C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313358673 259333840 /nfs/dbraw/zinc/33/38/40/259333840.db2.gz QXVGYXIVFJGDIX-HNNXBMFYSA-N 2 0 248.370 1.799 20 0 BDADRP CC[C@H](C)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000053486165 346901955 /nfs/dbraw/zinc/90/19/55/346901955.db2.gz VMPLHXDXQGLLJJ-NWDGAFQWSA-N 2 0 213.369 1.010 20 0 BDADRP CC1(C)SC[C@@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000307093282 192056319 /nfs/dbraw/zinc/05/63/19/192056319.db2.gz CSUDBBIHBROWPX-UWVGGRQHSA-N 2 0 214.378 1.612 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC2CCOCC2)[C@H](C)C1 ZINC000176000352 346903714 /nfs/dbraw/zinc/90/37/14/346903714.db2.gz MYMLIVURMNINHL-OCCSQVGLSA-N 2 0 240.391 1.733 20 0 BDADRP C[NH2+]CCCN1CCC[C@H](C(F)(F)F)C1 ZINC000053498768 346905319 /nfs/dbraw/zinc/90/53/19/346905319.db2.gz RBPOJZSHPVZONB-VIFPVBQESA-N 2 0 224.270 1.870 20 0 BDADRP C(=C/c1ccccc1)\C[NH2+]CCN1CC[NH2+]CC1 ZINC000040537889 342968863 /nfs/dbraw/zinc/96/88/63/342968863.db2.gz CPEAAQVJJKPIEJ-QPJJXVBHSA-N 2 0 245.370 1.195 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]C2CCOCC2)[C@H]2CCC[C@@H]21 ZINC000353440526 187209013 /nfs/dbraw/zinc/20/90/13/187209013.db2.gz KTYIPZNJUDBOOZ-RDBSUJKOSA-N 2 0 238.375 1.628 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@H]1CCSC1 ZINC000019942809 342963867 /nfs/dbraw/zinc/96/38/67/342963867.db2.gz ZORJXUJOUCBXRN-NSHDSACASA-N 2 0 216.394 1.813 20 0 BDADRP CC[N@H+](C)CCNc1ccnc2ccncc21 ZINC000271564058 187336303 /nfs/dbraw/zinc/33/63/03/187336303.db2.gz AKWAIQWFIHLYNI-UHFFFAOYSA-N 2 0 230.315 1.993 20 0 BDADRP CC[NH2+]CCNC1CC[NH+](CC2CC2)CC1 ZINC000562744351 323029883 /nfs/dbraw/zinc/02/98/83/323029883.db2.gz ZRTYAQKEVCTWHB-UHFFFAOYSA-N 2 0 225.380 1.060 20 0 BDADRP CC(C)CC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000361267155 187218380 /nfs/dbraw/zinc/21/83/80/187218380.db2.gz QRMRPINTRHCHFZ-UONOGXRCSA-N 2 0 242.407 1.667 20 0 BDADRP CC(C)C[C@@H](CNC(=O)C(C)(C)C[NH3+])[NH+](C)C ZINC000123087119 187225632 /nfs/dbraw/zinc/22/56/32/187225632.db2.gz IOLKZJVUBUKYMG-NSHDSACASA-N 2 0 243.395 1.064 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCCO2)CC[C@@H]1[NH3+] ZINC000042821735 362026206 /nfs/dbraw/zinc/02/62/06/362026206.db2.gz YPLLHDHUWPWLPF-WOPDTQHZSA-N 2 0 212.337 1.225 20 0 BDADRP CC[NH2+]Cc1ccccc1NC(=O)CCC[NH2+]C ZINC000237031697 343121532 /nfs/dbraw/zinc/12/15/32/343121532.db2.gz LDFPFSMSKXZYPM-UHFFFAOYSA-N 2 0 249.358 1.734 20 0 BDADRP CC[NH2+]CC1CC[NH+](Cc2ccno2)CC1 ZINC000082645637 362074308 /nfs/dbraw/zinc/07/43/08/362074308.db2.gz AYJCOVQSEXPEGQ-UHFFFAOYSA-N 2 0 223.320 1.496 20 0 BDADRP CC(C)[NH2+]CCC[NH2+][C@@H](C)Cn1cccn1 ZINC000562956496 323035142 /nfs/dbraw/zinc/03/51/42/323035142.db2.gz ZUKAXFMWWDBYOQ-LBPRGKRZSA-N 2 0 224.352 1.249 20 0 BDADRP C[C@H](O)CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394415418 259353103 /nfs/dbraw/zinc/35/31/03/259353103.db2.gz BZZWATWSJYDBHK-ACJTYDJDSA-N 2 0 226.364 1.314 20 0 BDADRP C[C@@H](O)CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394415420 259352814 /nfs/dbraw/zinc/35/28/14/259352814.db2.gz BZZWATWSJYDBHK-FKJOKYEKSA-N 2 0 226.364 1.314 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc2c(c1)CCO2 ZINC000131515944 343183804 /nfs/dbraw/zinc/18/38/04/343183804.db2.gz HUFLUVPXIPNYGN-BXUZGUMPSA-N 2 0 246.354 1.933 20 0 BDADRP Cc1nn(C)cc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000128260517 343174352 /nfs/dbraw/zinc/17/43/52/343174352.db2.gz PXGVNEGTTITAHI-UHFFFAOYSA-N 2 0 236.363 1.289 20 0 BDADRP Oc1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000311232356 136275705 /nfs/dbraw/zinc/27/57/05/136275705.db2.gz UGUDTYUOLMDYJI-OKILXGFUSA-N 2 0 246.354 1.824 20 0 BDADRP CC(C)[C@@H](O)C[NH+]1CCC([NH+](C)C)CC1 ZINC000087538130 136281792 /nfs/dbraw/zinc/28/17/92/136281792.db2.gz NEEIRKZCFZEFLE-LBPRGKRZSA-N 2 0 214.353 1.029 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCS1 ZINC000087667983 136282211 /nfs/dbraw/zinc/28/22/11/136282211.db2.gz UOKXTECDFQDTFZ-GARJFASQSA-N 2 0 214.378 1.599 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+][C@](C)(C[NH3+])C2CC2)O1 ZINC000634687774 343241762 /nfs/dbraw/zinc/24/17/62/343241762.db2.gz YZFCCBWUDDOQJU-ADEWGFFLSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+][C@@](C)(C[NH3+])C2CC2)O1 ZINC000634687776 343241891 /nfs/dbraw/zinc/24/18/91/343241891.db2.gz YZFCCBWUDDOQJU-USWWRNFRSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@H]1CC[C@@H](C[NH+]2CCC3(CC[NH2+]C3)CC2)O1 ZINC000634687886 343245621 /nfs/dbraw/zinc/24/56/21/343245621.db2.gz BUYSSSFYGCVBAK-STQMWFEESA-N 2 0 238.375 1.629 20 0 BDADRP C[C@@H]1CC[C@H](CN2C[C@H]3CCC[C@@]3([NH3+])C2)O1 ZINC000634688067 343246876 /nfs/dbraw/zinc/24/68/76/343246876.db2.gz HEBOOCKBNCQPES-FDYHWXHSSA-N 2 0 224.348 1.367 20 0 BDADRP C[C@H]1CC[C@H](C[NH+]2CCC(C)([NH3+])CC2)O1 ZINC000634688440 343247081 /nfs/dbraw/zinc/24/70/81/343247081.db2.gz SLSVYOAAKRQXDR-WDEREUQCSA-N 2 0 212.337 1.367 20 0 BDADRP C[C@@H]1CC[C@H](C[NH+]2CCC(C)([NH3+])CC2)O1 ZINC000634688437 343247137 /nfs/dbraw/zinc/24/71/37/343247137.db2.gz SLSVYOAAKRQXDR-GHMZBOCLSA-N 2 0 212.337 1.367 20 0 BDADRP Cn1nccc1CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000634688655 343248320 /nfs/dbraw/zinc/24/83/20/343248320.db2.gz ZQYVBMAZGCXCCH-OCCSQVGLSA-N 2 0 248.374 1.037 20 0 BDADRP C[C@@H]1COCC[C@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000297572829 136291098 /nfs/dbraw/zinc/29/10/98/136291098.db2.gz RIMDPOLHUVULIJ-BXUZGUMPSA-N 2 0 245.326 1.849 20 0 BDADRP Cc1nccn1CCC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000348757313 136297590 /nfs/dbraw/zinc/29/75/90/136297590.db2.gz VAOCYXGZXCLIIY-AWEZNQCLSA-N 2 0 248.374 1.267 20 0 BDADRP Cc1nccn1CCC[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000348754938 136297699 /nfs/dbraw/zinc/29/76/99/136297699.db2.gz DTPNKGQRFFTKLJ-AAEUAGOBSA-N 2 0 236.363 1.251 20 0 BDADRP C[NH2+]C1CC[NH+](CCCn2ccnc2C)CC1 ZINC000348756785 136297815 /nfs/dbraw/zinc/29/78/15/136297815.db2.gz QJBXPOBFPLZSMN-UHFFFAOYSA-N 2 0 236.363 1.265 20 0 BDADRP CC[C@@H](COC)[NH2+]C[C@H]1CC[N@H+](CC)C1 ZINC000070624131 343336063 /nfs/dbraw/zinc/33/60/63/343336063.db2.gz MLBRZJPXVLNBRW-NEPJUHHUSA-N 2 0 214.353 1.343 20 0 BDADRP Cn1cncc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335637927 136302822 /nfs/dbraw/zinc/30/28/22/136302822.db2.gz YSSXQUBMHDQEQO-OLZOCXBDSA-N 2 0 248.374 1.242 20 0 BDADRP O=C(C[C@@H]1CC[NH2+]C1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000335653815 136306244 /nfs/dbraw/zinc/30/62/44/136306244.db2.gz LZLAXQUFCUWUIU-JTQLQIEISA-N 2 0 245.326 1.228 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000397801457 262934415 /nfs/dbraw/zinc/93/44/15/262934415.db2.gz LQEQZEVYBFKLIK-DCAQKATOSA-N 2 0 232.393 1.224 20 0 BDADRP c1ccc(N2CCC(N[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000335642348 136309016 /nfs/dbraw/zinc/30/90/16/136309016.db2.gz IBDSHBXGVCGXEN-CQSZACIVSA-N 2 0 245.370 1.607 20 0 BDADRP CC(C)[NH+]1CCC(N[C@H]2CCCC[NH2+]C2)CC1 ZINC000335643008 136309095 /nfs/dbraw/zinc/30/90/95/136309095.db2.gz LPDYTANETDUMAC-AWEZNQCLSA-N 2 0 239.407 1.591 20 0 BDADRP Cc1noc(C)c1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000166226663 136314030 /nfs/dbraw/zinc/31/40/30/136314030.db2.gz QOFSTNNYOOKLDP-KCJUWKMLSA-N 2 0 223.320 1.461 20 0 BDADRP CC(C)(O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918196 187260609 /nfs/dbraw/zinc/26/06/09/187260609.db2.gz PATZABMBWIVXPY-RYUDHWBXSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000349151974 136326591 /nfs/dbraw/zinc/32/65/91/136326591.db2.gz PFSNJLNSKSNCHW-UTUOFQBUSA-N 2 0 219.332 1.865 20 0 BDADRP C[NH+](C)[C@@H](CNC(=O)C(C)(C)[NH3+])c1ccccc1 ZINC000040924997 343411434 /nfs/dbraw/zinc/41/14/34/343411434.db2.gz UADXULZKWPJLDV-LBPRGKRZSA-N 2 0 249.358 1.143 20 0 BDADRP CC1(C[NH2+]Cc2cscn2)CC[NH2+]CC1 ZINC000082626923 343457192 /nfs/dbraw/zinc/45/71/92/343457192.db2.gz BTTFIMFZQBCUIM-UHFFFAOYSA-N 2 0 225.361 1.622 20 0 BDADRP C[C@@H](O)C[N@H+](CCC[NH3+])C1CCCCC1 ZINC000083676400 343495672 /nfs/dbraw/zinc/49/56/72/343495672.db2.gz RKZWFTZBGGQNCW-LLVKDONJSA-N 2 0 214.353 1.351 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]CC2=CCCOC2)C1 ZINC000379584273 343577518 /nfs/dbraw/zinc/57/75/18/343577518.db2.gz ULUYCBHBOAMSCN-CYBMUJFWSA-N 2 0 238.375 1.653 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000556952982 343627914 /nfs/dbraw/zinc/62/79/14/343627914.db2.gz JHPCCMNCSVYMEW-VZANTVGXSA-N 3 0 237.391 1.234 20 0 BDADRP C[C@H](CO[C@@H]1CCOC1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000580580367 365790655 /nfs/dbraw/zinc/79/06/55/365790655.db2.gz AQHIBLMTDOKWFL-MROQNXINSA-N 2 0 242.363 1.040 20 0 BDADRP CC(C)OCC[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000087979821 343683042 /nfs/dbraw/zinc/68/30/42/343683042.db2.gz JSRDTAYTFQRACD-GFCCVEGCSA-N 2 0 214.353 1.485 20 0 BDADRP C[NH2+]CC1CC[NH+](CC2(F)CC2)CC1 ZINC000380170336 343686268 /nfs/dbraw/zinc/68/62/68/343686268.db2.gz DJZALOBGRSURHH-UHFFFAOYSA-N 2 0 200.301 1.420 20 0 BDADRP COCC[C@H](C)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429538483 537805963 /nfs/dbraw/zinc/80/59/63/537805963.db2.gz SVVJTLMQVXFJPC-QWHCGFSZSA-N 2 0 228.380 1.828 20 0 BDADRP C[C@H](c1ccncc1)N1CCc2nc[nH]c2C1 ZINC000625437888 343740353 /nfs/dbraw/zinc/74/03/53/343740353.db2.gz PSIDYWLMSIYOKX-SNVBAGLBSA-N 2 0 228.299 1.924 20 0 BDADRP CCn1nccc1CC[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000621775786 343900040 /nfs/dbraw/zinc/90/00/40/343900040.db2.gz YSGRZKVTHYDAPF-CYBMUJFWSA-N 2 0 236.363 1.116 20 0 BDADRP CCC(C)(C)CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000634725087 343945772 /nfs/dbraw/zinc/94/57/72/343945772.db2.gz HBTCIFGRAVVFAF-ZDUSSCGKSA-N 2 0 242.407 1.859 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C2CCOCC2)C1 ZINC000634733163 344108228 /nfs/dbraw/zinc/10/82/28/344108228.db2.gz YPEJXUYWBAJJLF-LBPRGKRZSA-N 2 0 226.364 1.533 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCOC2)CC1 ZINC000070650286 187358705 /nfs/dbraw/zinc/35/87/05/187358705.db2.gz DREONOZIMAQDGF-CYBMUJFWSA-N 2 0 226.364 1.628 20 0 BDADRP COCCCCN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000299892567 344117469 /nfs/dbraw/zinc/11/74/69/344117469.db2.gz ASLMXZMEWUYWFH-NWDGAFQWSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@H]1CCCC12CCOCC2 ZINC000622044872 344229367 /nfs/dbraw/zinc/22/93/67/344229367.db2.gz WLIWSEYHYSLEHE-RYUDHWBXSA-N 2 0 226.364 1.663 20 0 BDADRP Cc1ncc([C@H](C)[NH2+]CC[C@H](C)[NH3+])s1 ZINC000622045105 344229847 /nfs/dbraw/zinc/22/98/47/344229847.db2.gz AEYYCIJKPJOLNG-YUMQZZPRSA-N 2 0 213.350 1.839 20 0 BDADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)C[N@H+](C)C(C)C ZINC000236664815 187289467 /nfs/dbraw/zinc/28/94/67/187289467.db2.gz KMTWDCVQRFAJBM-ZDUSSCGKSA-N 2 0 243.395 1.206 20 0 BDADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000236776625 187289720 /nfs/dbraw/zinc/28/97/20/187289720.db2.gz PCJVPRNVXWPGBN-QWRGUYRKSA-N 2 0 243.395 1.062 20 0 BDADRP CSCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000084216902 344255077 /nfs/dbraw/zinc/25/50/77/344255077.db2.gz OVBLCCPUNLJXQZ-UWVGGRQHSA-N 2 0 202.367 1.457 20 0 BDADRP CC(C)[NH2+]CCC(=O)NCC1([NH3+])CCCCC1 ZINC000131520708 344295238 /nfs/dbraw/zinc/29/52/38/344295238.db2.gz LGHMGXPOWSGVJP-UHFFFAOYSA-N 2 0 241.379 1.152 20 0 BDADRP C[C@H]([NH2+]CCCC[NH+](C)C)[C@H]1CCOC1 ZINC000132994284 344310420 /nfs/dbraw/zinc/31/04/20/344310420.db2.gz WYQCHCYUMSHVMF-RYUDHWBXSA-N 2 0 214.353 1.343 20 0 BDADRP CC(C)[NH2+]CCC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000131627188 344314885 /nfs/dbraw/zinc/31/48/85/344314885.db2.gz ITIRYCUTEYXYIQ-NWDGAFQWSA-N 2 0 241.379 1.103 20 0 BDADRP C[C@@]1(C[N@@H+]2CCSC(C)(C)C2)CC[NH2+]C1 ZINC000133335711 344315502 /nfs/dbraw/zinc/31/55/02/344315502.db2.gz UEXBUPMMGDBGIA-GFCCVEGCSA-N 2 0 228.405 1.813 20 0 BDADRP C[NH2+]CCCC(=O)Nc1ccc(C[NH3+])cc1 ZINC000131646376 344318869 /nfs/dbraw/zinc/31/88/69/344318869.db2.gz HDTITOQTLFWYHJ-UHFFFAOYSA-N 2 0 221.304 1.083 20 0 BDADRP CC(C)[NH2+]CCCNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000131815046 344334295 /nfs/dbraw/zinc/33/42/95/344334295.db2.gz AGAGWZOEOHMDQN-ZDUSSCGKSA-N 2 0 249.358 1.191 20 0 BDADRP COC(=O)CCCC[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000600710430 344360998 /nfs/dbraw/zinc/36/09/98/344360998.db2.gz OLEDECXTKGCLDI-LBPRGKRZSA-N 2 0 242.363 1.391 20 0 BDADRP Cc1cnccc1CN1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000385049775 344304123 /nfs/dbraw/zinc/30/41/23/344304123.db2.gz QJTZVFGWDIACSX-RISCZKNCSA-N 2 0 233.359 1.949 20 0 BDADRP CCN1CCC([N@H+](C)CC[C@@H](C)O)CC1 ZINC000044172832 344536696 /nfs/dbraw/zinc/53/66/96/344536696.db2.gz YJOPRTABRAQOGV-LLVKDONJSA-N 2 0 214.353 1.173 20 0 BDADRP Cc1cc(C[NH+]2CCC(C[NH3+])CC2)on1 ZINC000044514338 344541521 /nfs/dbraw/zinc/54/15/21/344541521.db2.gz RDSUDFRMORQUTG-UHFFFAOYSA-N 2 0 209.293 1.154 20 0 BDADRP COCCCC[NH+]1CCC([NH2+]CCOC)CC1 ZINC000516656980 259377219 /nfs/dbraw/zinc/37/72/19/259377219.db2.gz SAFKNAFMNWKAMQ-UHFFFAOYSA-N 2 0 244.379 1.113 20 0 BDADRP COc1ccc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)cn1 ZINC000158320528 344592159 /nfs/dbraw/zinc/59/21/59/344592159.db2.gz RSKIEALDYQIGPV-LLVKDONJSA-N 2 0 249.358 1.649 20 0 BDADRP COc1ccc(CN2CCCC[C@@H]2[C@H](C)[NH3+])cn1 ZINC000158319060 344592219 /nfs/dbraw/zinc/59/22/19/344592219.db2.gz FTUUQMTYSYCGMV-WCQYABFASA-N 2 0 249.358 1.792 20 0 BDADRP CCN1CCC[C@H]1C[NH2+][C@H](C)CCCC[NH3+] ZINC000309413391 347057256 /nfs/dbraw/zinc/05/72/56/347057256.db2.gz VVVSMGCRKVMKRW-OLZOCXBDSA-N 2 0 227.396 1.578 20 0 BDADRP CCCCOCC[NH+]1CCC([NH3+])CC1 ZINC000049261291 344601406 /nfs/dbraw/zinc/60/14/06/344601406.db2.gz UAPJPNQFLDYVSQ-UHFFFAOYSA-N 2 0 200.326 1.226 20 0 BDADRP C[C@H](CC[NH+](C)C)NC1CC[NH+](C)CC1 ZINC000049551829 344652982 /nfs/dbraw/zinc/65/29/82/344652982.db2.gz QCLBXTJZAKRRCE-LLVKDONJSA-N 2 0 213.369 1.010 20 0 BDADRP CC(C)([NH3+])CN1CC[NH+](C(C)(C)C)CC1 ZINC000042463213 187292306 /nfs/dbraw/zinc/29/23/06/187292306.db2.gz AMESZGQUJIWPDS-UHFFFAOYSA-N 2 0 213.369 1.140 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCC[C@@H]1CSC ZINC000399985260 344747027 /nfs/dbraw/zinc/74/70/27/344747027.db2.gz BJJQRHCRPFSSMG-SNVBAGLBSA-N 2 0 202.367 1.423 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C2CC2)C1 ZINC000400002284 344748011 /nfs/dbraw/zinc/74/80/11/344748011.db2.gz OMLPVYFWEFNROD-QWHCGFSZSA-N 2 0 226.364 1.031 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCC[C@]1(C)CO ZINC000493535102 530057043 /nfs/dbraw/zinc/05/70/43/530057043.db2.gz YZQSQNYVZDASFK-HZSPNIEDSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CCO)CN1C1CC1 ZINC000224392773 344910095 /nfs/dbraw/zinc/91/00/95/344910095.db2.gz OVUMHTNGAJGOPL-VXGBXAGGSA-N 2 0 240.391 1.610 20 0 BDADRP Cc1ccc(O)c(C[NH2+]CCCC[NH+](C)C)n1 ZINC000112716881 187294109 /nfs/dbraw/zinc/29/41/09/187294109.db2.gz UTHRCNFPNHQVHB-UHFFFAOYSA-N 2 0 237.347 1.527 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@@H]1CCSC1 ZINC000224621497 344957102 /nfs/dbraw/zinc/95/71/02/344957102.db2.gz GQOMWEAJSGZPQZ-OUAUKWLOSA-N 2 0 214.378 1.551 20 0 BDADRP C([NH2+][C@H]1CCSC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000225018446 187296898 /nfs/dbraw/zinc/29/68/98/187296898.db2.gz MSGUKHMEJOKCJG-QWRGUYRKSA-N 2 0 226.389 1.566 20 0 BDADRP C[N@@H+]1CCC[C@H]1CCN1CCOC2(CCC2)C1 ZINC000154404677 345034280 /nfs/dbraw/zinc/03/42/80/345034280.db2.gz MMGJJRXXXACLKR-ZDUSSCGKSA-N 2 0 238.375 1.726 20 0 BDADRP CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000154908796 345056768 /nfs/dbraw/zinc/05/67/68/345056768.db2.gz UBYXUGSHJIUPNN-MELADBBJSA-N 2 0 241.423 1.647 20 0 BDADRP CC[C@@H]1CN(C[C@H](C[NH3+])C(C)C)CC[C@H]1[NH3+] ZINC000634990853 345173116 /nfs/dbraw/zinc/17/31/16/345173116.db2.gz FXEHWSQIOOMNSO-FRRDWIJNSA-N 2 0 227.396 1.277 20 0 BDADRP CC(C)[C@H](C[NH3+])C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000634991052 345174167 /nfs/dbraw/zinc/17/41/67/345174167.db2.gz OAUXRWDJHLJLIW-WCQYABFASA-N 3 0 227.396 1.277 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1C ZINC000156554937 345175668 /nfs/dbraw/zinc/17/56/68/345175668.db2.gz JDNMREHDHUXTKN-XJFOESAGSA-N 3 0 239.407 1.541 20 0 BDADRP C[NH2+]CCC1CC[NH+](C[C@@H](C[NH3+])C(C)C)CC1 ZINC000634991484 345177681 /nfs/dbraw/zinc/17/76/81/345177681.db2.gz GKXIPQMXTCDBAK-CQSZACIVSA-N 3 0 241.423 1.539 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NCC23CC(C2)C[NH2+]3)cc1 ZINC000634994535 345181602 /nfs/dbraw/zinc/18/16/02/345181602.db2.gz GVHSGZQOERIENT-CDWSIMAYSA-N 2 0 231.343 1.870 20 0 BDADRP CN(CC12CC(C1)C[NH2+]2)CC1([NH+](C)C)CCC1 ZINC000634994815 345182520 /nfs/dbraw/zinc/18/25/20/345182520.db2.gz NMWYZABLVNNBTD-UHFFFAOYSA-N 2 0 237.391 1.155 20 0 BDADRP CC(C)[C@@H](C[NH3+])C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000634996893 345186586 /nfs/dbraw/zinc/18/65/86/345186586.db2.gz XULOBXYFYQVZMT-IHRRRGAJSA-N 3 0 239.407 1.278 20 0 BDADRP CC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)[C@@H]1CCCO1 ZINC000634996079 345186644 /nfs/dbraw/zinc/18/66/44/345186644.db2.gz YVLODTCFNZIQTH-ZFQMDJOTSA-N 2 0 224.348 1.286 20 0 BDADRP OC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCC1 ZINC000156116745 345128831 /nfs/dbraw/zinc/12/88/31/345128831.db2.gz BEQLPIWTWJNSJZ-CHWSQXEVSA-N 2 0 238.375 1.508 20 0 BDADRP CC1([NH2+]CC23CC(C2)C[NH2+]3)Cc2ccccc2C1 ZINC000634993081 345188899 /nfs/dbraw/zinc/18/88/99/345188899.db2.gz KTGLWSXGVOLRCZ-UHFFFAOYSA-N 2 0 242.366 1.886 20 0 BDADRP CC(C)[NH+](CCNC(=O)[C@@H](C)[NH+](C)C)C(C)C ZINC000635136676 345257170 /nfs/dbraw/zinc/25/71/70/345257170.db2.gz GXVYYDJRYBTGLK-GFCCVEGCSA-N 2 0 243.395 1.172 20 0 BDADRP C[C@H]1C[N@H+](Cc2cccs2)C[C@H]1C[NH3+] ZINC000634998701 345198464 /nfs/dbraw/zinc/19/84/64/345198464.db2.gz JLRFVPFQGOQZHN-VHSXEESVSA-N 2 0 210.346 1.775 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cccc(O)c2)C[C@H]1C[NH3+] ZINC000635000136 345201892 /nfs/dbraw/zinc/20/18/92/345201892.db2.gz HWONBRVQXCXUKM-ZYHUDNBSSA-N 2 0 220.316 1.419 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCn2nccc21)[C@@H]1CCC[NH2+]C1 ZINC000635002560 345204959 /nfs/dbraw/zinc/20/49/59/345204959.db2.gz UKULLGLYYZHNKG-YNEHKIRRSA-N 2 0 248.374 1.696 20 0 BDADRP Cc1nccnc1[C@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635003297 345205427 /nfs/dbraw/zinc/20/54/27/345205427.db2.gz BQUBJHRQJZBNSV-AVGNSLFASA-N 2 0 248.374 1.953 20 0 BDADRP CC[C@@H](COC)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635007451 345205864 /nfs/dbraw/zinc/20/58/64/345205864.db2.gz QGQSAUZIUPSYGS-SRVKXCTJSA-N 2 0 214.353 1.519 20 0 BDADRP CCC[C@@H](CCO)[NH2+]C1CCC(C[NH3+])CC1 ZINC000635003392 345206210 /nfs/dbraw/zinc/20/62/10/345206210.db2.gz JCBIITPTTJRDQM-CPCZMJQVSA-N 2 0 228.380 1.645 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000635003899 345206763 /nfs/dbraw/zinc/20/67/63/345206763.db2.gz MJCMEXPPNSQOHM-IJLUTSLNSA-N 2 0 214.353 1.397 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1nccn1C ZINC000635006372 345210695 /nfs/dbraw/zinc/21/06/95/345210695.db2.gz MISOWYLQNAVVQT-SRVKXCTJSA-N 2 0 236.363 1.588 20 0 BDADRP CN1CCC([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000635009416 345211844 /nfs/dbraw/zinc/21/18/44/345211844.db2.gz YKMTWSKOOMCFEN-HAQNSBGRSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000635013339 345217253 /nfs/dbraw/zinc/21/72/53/345217253.db2.gz RCGXRGUPDALABF-WCTZXXKLSA-N 2 0 210.243 1.653 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc2c1CCOC2 ZINC000635014200 345219181 /nfs/dbraw/zinc/21/91/81/345219181.db2.gz ZBVJFMAKRVCPKK-NEPJUHHUSA-N 2 0 248.370 1.975 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000449078566 201804376 /nfs/dbraw/zinc/80/43/76/201804376.db2.gz VNDIFQZYIJEKDW-QJPTWQEYSA-N 2 0 241.379 1.103 20 0 BDADRP C[C@@H]([NH2+]Cc1ccc2cccnc2c1)C1C[NH2+]C1 ZINC000635018718 345222130 /nfs/dbraw/zinc/22/21/30/345222130.db2.gz GVDPWSIYIMOXAY-LLVKDONJSA-N 2 0 241.338 1.932 20 0 BDADRP C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH+](C)C ZINC000635255062 345288994 /nfs/dbraw/zinc/28/89/94/345288994.db2.gz KTYACGLGYMMFHW-NSHDSACASA-N 2 0 243.395 1.031 20 0 BDADRP CC[C@@H](COC)[NH2+]CCCC[NH+]1CCOCC1 ZINC000158841603 345381974 /nfs/dbraw/zinc/38/19/74/345381974.db2.gz GLUHUNUOTXCTQE-ZDUSSCGKSA-N 2 0 244.379 1.113 20 0 BDADRP C[N@H+]1CC=C(C[NH2+]C2CCSCC2)CC1 ZINC000335600515 345416488 /nfs/dbraw/zinc/41/64/88/345416488.db2.gz GKIBCSNUGAPLFW-UHFFFAOYSA-N 2 0 226.389 1.734 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)[C@H](C)[NH2+]CCC ZINC000449145367 201819320 /nfs/dbraw/zinc/81/93/20/201819320.db2.gz XLZRXCRRAXKCHP-QWRGUYRKSA-N 2 0 229.368 1.008 20 0 BDADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCCO)C1 ZINC000081636118 345488907 /nfs/dbraw/zinc/48/89/07/345488907.db2.gz ZBEXXIRFEITADC-CYBMUJFWSA-N 2 0 226.364 1.033 20 0 BDADRP CC(C)[C@H](CO)[NH2+][C@@H](C)CCCC[NH3+] ZINC000308646552 187306173 /nfs/dbraw/zinc/30/61/73/187306173.db2.gz HRHGMUXOABPBRO-QWRGUYRKSA-N 2 0 202.342 1.110 20 0 BDADRP C([NH2+][C@@H]1CCCOCC1)C1CC[NH2+]CC1 ZINC000308870712 187306768 /nfs/dbraw/zinc/30/67/68/187306768.db2.gz YVPVIGAHJFNBQV-GFCCVEGCSA-N 2 0 212.337 1.145 20 0 BDADRP CC(C)N(C)C[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000309328939 187308325 /nfs/dbraw/zinc/30/83/25/187308325.db2.gz HGYPIKBXHMEASL-FRRDWIJNSA-N 2 0 228.380 1.730 20 0 BDADRP CC(C)C[C@@H](C)C[NH2+]C[C@]1(O)CCN(C)C1 ZINC000309324246 187308369 /nfs/dbraw/zinc/30/83/69/187308369.db2.gz FYFWHBJWACJRSG-CHWSQXEVSA-N 2 0 228.380 1.325 20 0 BDADRP CC[C@@H](C)C[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000093074808 345655967 /nfs/dbraw/zinc/65/59/67/345655967.db2.gz JWVBLSZZWSIOFU-TZMCWYRMSA-N 2 0 242.407 1.715 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCCOCC1 ZINC000221038062 535002702 /nfs/dbraw/zinc/00/27/02/535002702.db2.gz WWVGIGXMUGCIPW-ZDUSSCGKSA-N 2 0 228.380 1.875 20 0 BDADRP C[C@H]1C[C@H]([NH2+]Cc2ccncc2N)CN1C1CC1 ZINC000641732773 362652438 /nfs/dbraw/zinc/65/24/38/362652438.db2.gz BPGAMQFJSPOOKD-JQWIXIFHSA-N 2 0 246.358 1.379 20 0 BDADRP CC(C)C[C@H](C[NH3+])CC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000662819881 537909321 /nfs/dbraw/zinc/90/93/21/537909321.db2.gz HQQJEYHJPJZLJJ-UTUOFQBUSA-N 2 0 243.395 1.240 20 0 BDADRP CC[C@@H](O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363576743 345798424 /nfs/dbraw/zinc/79/84/24/345798424.db2.gz CPUYYNNVOGNHHE-SYQHCUMBSA-N 2 0 238.375 1.173 20 0 BDADRP CC[C@@H](O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363576741 345798457 /nfs/dbraw/zinc/79/84/57/345798457.db2.gz CPUYYNNVOGNHHE-AAVRWANBSA-N 2 0 238.375 1.173 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+][C@H](CO)c2ccccc2)C1 ZINC000093216060 345857916 /nfs/dbraw/zinc/85/79/16/345857916.db2.gz RNWAUZMOAOMUHV-MELADBBJSA-N 2 0 234.343 1.580 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000094439560 187361098 /nfs/dbraw/zinc/36/10/98/187361098.db2.gz DQBYNFUWAIGCSJ-KGLIPLIRSA-N 2 0 237.391 1.156 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@@H]2CC[C@@H](C)O2)CC1 ZINC000148614737 346038221 /nfs/dbraw/zinc/03/82/21/346038221.db2.gz JQWACMFEIQKXHW-YPMHNXCESA-N 2 0 226.364 1.628 20 0 BDADRP CC(C)(CCO)C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000331879339 187365385 /nfs/dbraw/zinc/36/53/85/187365385.db2.gz CBEYHOYZOIQPGJ-VXGBXAGGSA-N 2 0 228.380 1.645 20 0 BDADRP COCC[C@H](C)[NH+]1CCC([NH+](C)C)CC1 ZINC000447415351 537952478 /nfs/dbraw/zinc/95/24/78/537952478.db2.gz WZSCKTGUBSCESE-NSHDSACASA-N 2 0 214.353 1.437 20 0 BDADRP CC(C)(C)C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000236617617 346261089 /nfs/dbraw/zinc/26/10/89/346261089.db2.gz DHUHYWJUGQZLQE-CYBMUJFWSA-N 2 0 242.407 1.859 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@@H](O)CC(F)(F)F ZINC000307944332 346298493 /nfs/dbraw/zinc/29/84/93/346298493.db2.gz WEOJIGJWNNGRIV-IUCAKERBSA-N 2 0 242.285 1.230 20 0 BDADRP CCCN(CCC[NH+](C)C)Cc1nc(C)c[nH]1 ZINC000628279967 346290848 /nfs/dbraw/zinc/29/08/48/346290848.db2.gz JLQPLAZPQQPZAR-UHFFFAOYSA-N 2 0 238.379 1.882 20 0 BDADRP C[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[NH+](C)C ZINC000156052826 346359420 /nfs/dbraw/zinc/35/94/20/346359420.db2.gz WCDHLTYOIBGRKE-FRRDWIJNSA-N 2 0 225.380 1.153 20 0 BDADRP CCO[C@H]1C[C@@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000574911030 346409582 /nfs/dbraw/zinc/40/95/82/346409582.db2.gz PSDIFYDLIWOOBE-QQFIATSDSA-N 2 0 212.337 1.271 20 0 BDADRP Cc1cccc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)c1C ZINC000313345294 179074442 /nfs/dbraw/zinc/07/44/42/179074442.db2.gz FJJOMIJDVIKWJB-OAHLLOKOSA-N 2 0 248.370 1.853 20 0 BDADRP CCC[NH2+][C@@H](C)c1nc(C[C@H](C)[NH2+]C)no1 ZINC000575058547 346466201 /nfs/dbraw/zinc/46/62/01/346466201.db2.gz HSUMHKBGNOPCBL-IUCAKERBSA-N 2 0 226.324 1.281 20 0 BDADRP CCOC(=O)CCCC[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000603433972 349963376 /nfs/dbraw/zinc/96/33/76/349963376.db2.gz NQYMBFFKZTYUAO-WDEREUQCSA-N 2 0 242.363 1.435 20 0 BDADRP Cn1cncc1CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000641799299 362749172 /nfs/dbraw/zinc/74/91/72/362749172.db2.gz SVYZVQZPLCBUTA-ONXXMXGDSA-N 2 0 248.374 1.177 20 0 BDADRP CSC1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000300856643 346519962 /nfs/dbraw/zinc/51/99/62/346519962.db2.gz ONZGQUIMGPBDLK-LLVKDONJSA-N 2 0 228.405 1.813 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000641801391 362754932 /nfs/dbraw/zinc/75/49/32/362754932.db2.gz QHGMLWSYDVLNQU-IYKVGLELSA-N 2 0 208.349 1.748 20 0 BDADRP Cn1cncc1CCC[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641801257 362755371 /nfs/dbraw/zinc/75/53/71/362755371.db2.gz OPFXZRZORBWOAM-NWDGAFQWSA-N 2 0 236.363 1.068 20 0 BDADRP CCCCNC(=O)CC[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641803010 362759417 /nfs/dbraw/zinc/75/94/17/362759417.db2.gz QWOFEEKPLVOOHY-QWRGUYRKSA-N 2 0 241.379 1.008 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000641804304 362760992 /nfs/dbraw/zinc/76/09/92/362760992.db2.gz YAIIFWLYRXEFST-UTUOFQBUSA-N 3 0 225.380 1.092 20 0 BDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000580715596 346678154 /nfs/dbraw/zinc/67/81/54/346678154.db2.gz LJXPUBMQUWJJNJ-GMTAPVOTSA-N 2 0 243.395 1.253 20 0 BDADRP CC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000247551795 323133627 /nfs/dbraw/zinc/13/36/27/323133627.db2.gz PZJICEQLUCNXIF-STQMWFEESA-N 2 0 228.380 1.421 20 0 BDADRP C[C@H](CCCO)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000087358848 365862792 /nfs/dbraw/zinc/86/27/92/365862792.db2.gz WEALGBUWPDUOEY-VWYCJHECSA-N 2 0 200.326 1.007 20 0 BDADRP COC(=O)CCCC[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000601326798 347210231 /nfs/dbraw/zinc/21/02/31/347210231.db2.gz PVCQKLRRGXVBFS-GFCCVEGCSA-N 2 0 242.363 1.533 20 0 BDADRP CCSCC[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601327647 347214331 /nfs/dbraw/zinc/21/43/31/347214331.db2.gz YEDCWDNMBRIGAL-NXEZZACHSA-N 2 0 202.367 1.266 20 0 BDADRP C[C@@H]1CCCC[C@@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000334430277 347411045 /nfs/dbraw/zinc/41/10/45/347411045.db2.gz VADFYAQFQWJMOF-OLZOCXBDSA-N 2 0 240.391 1.611 20 0 BDADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@H]1CCCCO1 ZINC000250806200 362822508 /nfs/dbraw/zinc/82/25/08/362822508.db2.gz CODWDSUDFZCFFS-QWHCGFSZSA-N 2 0 226.364 1.759 20 0 BDADRP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000577214581 365884331 /nfs/dbraw/zinc/88/43/31/365884331.db2.gz MWKWSTSLWVTUFI-RQJABVFESA-N 2 0 240.391 1.922 20 0 BDADRP CCCC[C@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000149798957 347519221 /nfs/dbraw/zinc/51/92/21/347519221.db2.gz YFWQUGYUKVPBDI-NSHDSACASA-N 2 0 214.353 1.663 20 0 BDADRP C[NH+](C)CCC[N@H+](C)CC[C@@H]1CCOC1 ZINC000577248145 365898512 /nfs/dbraw/zinc/89/85/12/365898512.db2.gz UAEQUGSCSHZCRI-GFCCVEGCSA-N 2 0 214.353 1.297 20 0 BDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)CCCC[NH3+] ZINC000070201709 349976125 /nfs/dbraw/zinc/97/61/25/349976125.db2.gz RIHMHKSDBVTJRW-GFCCVEGCSA-N 2 0 241.379 1.106 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CC(C)(C)C(C)(C)O ZINC000393693610 323151574 /nfs/dbraw/zinc/15/15/74/323151574.db2.gz KDVJLDUSAZAYKV-NSHDSACASA-N 2 0 230.396 1.891 20 0 BDADRP c1cnn(CCCCC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000591373865 347649793 /nfs/dbraw/zinc/64/97/93/347649793.db2.gz HBHUNXIJXFGNDX-KBPBESRZSA-N 2 0 248.374 1.205 20 0 BDADRP CC1(C[NH2+]Cc2ccncc2)CC[NH2+]CC1 ZINC000414915180 323151975 /nfs/dbraw/zinc/15/19/75/323151975.db2.gz YXFLQTIWHMHFKP-UHFFFAOYSA-N 2 0 219.332 1.561 20 0 BDADRP COC(=O)C(C)(C)CC[NH2+]CCC1(C[NH3+])CC1 ZINC000593314283 347881224 /nfs/dbraw/zinc/88/12/24/347881224.db2.gz CACFXVZYQGTADO-UHFFFAOYSA-N 2 0 242.363 1.294 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000577395158 365944489 /nfs/dbraw/zinc/94/44/89/365944489.db2.gz KIGGNTJHYSSIAM-AVGNSLFASA-N 2 0 225.380 1.045 20 0 BDADRP CC[C@H](C)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000054471071 348022170 /nfs/dbraw/zinc/02/21/70/348022170.db2.gz LMYNKHGLVFFRSN-NWDGAFQWSA-N 2 0 214.353 1.079 20 0 BDADRP CC(C)OC(=O)C[C@@H](N[C@H]1CC[NH2+]C1)C(C)C ZINC000594583535 348076862 /nfs/dbraw/zinc/07/68/62/348076862.db2.gz UMJAXXLWHBIQFL-NWDGAFQWSA-N 2 0 242.363 1.304 20 0 BDADRP CC[NH+]1CCC([NH2+]CCc2cscn2)CC1 ZINC000082626146 348158674 /nfs/dbraw/zinc/15/86/74/348158674.db2.gz QGOZJVKKBMQNMO-UHFFFAOYSA-N 2 0 239.388 1.760 20 0 BDADRP Cc1cccnc1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000161771935 179373301 /nfs/dbraw/zinc/37/33/01/179373301.db2.gz DGKBZFXPQCPJNW-LBPRGKRZSA-N 2 0 233.359 1.949 20 0 BDADRP CC[NH+]1CCC([NH2+]CCc2ccco2)CC1 ZINC000035121619 358454086 /nfs/dbraw/zinc/45/40/86/358454086.db2.gz PCFQKUKAHKGHNJ-UHFFFAOYSA-N 2 0 222.332 1.896 20 0 BDADRP C[C@H](CCO)CC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000397610206 362896158 /nfs/dbraw/zinc/89/61/58/362896158.db2.gz BTNNGNCRDUSMLR-XQQFMLRXSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)O1 ZINC000251694541 362899388 /nfs/dbraw/zinc/89/93/88/362899388.db2.gz HJFQXFQBAMJLED-DDHJBXDOSA-N 2 0 212.337 1.223 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623489139 362914537 /nfs/dbraw/zinc/91/45/37/362914537.db2.gz RQLNNGXOVSBVNX-SDDRHHMPSA-N 2 0 228.380 1.608 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H]2CCO[C@H](C)C2)CC1 ZINC000070360467 349995869 /nfs/dbraw/zinc/99/58/69/349995869.db2.gz IZGAVFVLJZYVEZ-OCCSQVGLSA-N 2 0 240.391 1.875 20 0 BDADRP CCSC1(C[NH2+][C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000596649596 348605022 /nfs/dbraw/zinc/60/50/22/348605022.db2.gz CSNKWRCTHOUDDS-QWRGUYRKSA-N 2 0 228.405 1.989 20 0 BDADRP CCSC1(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000596649594 348605443 /nfs/dbraw/zinc/60/54/43/348605443.db2.gz CSNKWRCTHOUDDS-GHMZBOCLSA-N 2 0 228.405 1.989 20 0 BDADRP C[C@@H](O)CCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623510184 362935470 /nfs/dbraw/zinc/93/54/70/362935470.db2.gz KUISMFKGRPGVLN-VXGBXAGGSA-N 2 0 228.380 1.610 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1CCN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000250648927 538022514 /nfs/dbraw/zinc/02/25/14/538022514.db2.gz WEHLWPKLUSTSML-MELADBBJSA-N 2 0 237.391 1.012 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H](NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000250638306 349177928 /nfs/dbraw/zinc/17/79/28/349177928.db2.gz GKOMTNLHHXOVDM-JHJVBQTASA-N 2 0 237.391 1.330 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+]CCC[NH+](C)C)C1(C)C ZINC000082922702 349184410 /nfs/dbraw/zinc/18/44/10/349184410.db2.gz QINSXOSXGJQOBP-NEPJUHHUSA-N 2 0 228.380 1.731 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CC[C@H](C)[C@H]1CO ZINC000249103390 349155831 /nfs/dbraw/zinc/15/58/31/349155831.db2.gz VADRAAFRJVPMJX-QWHCGFSZSA-N 2 0 228.380 1.421 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC[C@H]1CCCO1 ZINC000251697419 349173364 /nfs/dbraw/zinc/17/33/64/349173364.db2.gz BCDMCJMCPHYNAA-IJLUTSLNSA-N 2 0 212.337 1.367 20 0 BDADRP C[C@@H](C[NH+](C)C)N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623524995 362945270 /nfs/dbraw/zinc/94/52/70/362945270.db2.gz ROBSJLHKUVCADH-NWDGAFQWSA-N 2 0 227.396 1.399 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+]CCC[NH3+])C12CCCC2 ZINC000082945703 349350529 /nfs/dbraw/zinc/35/05/29/349350529.db2.gz RIJRECGOLWECED-RYUDHWBXSA-N 2 0 226.364 1.663 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]CCC[NH3+])C12CCCC2 ZINC000082945704 349350680 /nfs/dbraw/zinc/35/06/80/349350680.db2.gz RIJRECGOLWECED-VXGBXAGGSA-N 2 0 226.364 1.663 20 0 BDADRP O=c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c[nH]1 ZINC000392704400 349316315 /nfs/dbraw/zinc/31/63/15/349316315.db2.gz VLTXOHXHAKKUBI-QWHCGFSZSA-N 2 0 247.342 1.504 20 0 BDADRP O=c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c[nH]1 ZINC000392704395 349316424 /nfs/dbraw/zinc/31/64/24/349316424.db2.gz VLTXOHXHAKKUBI-OLZOCXBDSA-N 2 0 247.342 1.504 20 0 BDADRP CC(C)[C@@H]1CC[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000336662377 538041492 /nfs/dbraw/zinc/04/14/92/538041492.db2.gz KFYYPKHPFZBGOF-STQMWFEESA-N 2 0 228.380 1.589 20 0 BDADRP COC[C@H](C)C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000300914672 349429500 /nfs/dbraw/zinc/42/95/00/349429500.db2.gz XVKYVXGTAYIPII-GHMZBOCLSA-N 2 0 214.353 1.247 20 0 BDADRP C[C@H](c1cnccn1)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000070480053 350014880 /nfs/dbraw/zinc/01/48/80/350014880.db2.gz ZDEIPDMDOJTVDB-WDEREUQCSA-N 2 0 234.347 1.597 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422563143 192428150 /nfs/dbraw/zinc/42/81/50/192428150.db2.gz RWSUOFIYYGGQDO-XUXIUFHCSA-N 2 0 241.423 1.665 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000302378305 350083424 /nfs/dbraw/zinc/08/34/24/350083424.db2.gz SOHGIIYXDXBFGE-AVGNSLFASA-N 2 0 240.391 1.515 20 0 BDADRP COC[C@H]([NH2+][C@H]1C[C@@H](C)N(C2CC2)C1)C(C)C ZINC000132018240 191022777 /nfs/dbraw/zinc/02/27/77/191022777.db2.gz RNRDQQOJGQGWJS-DYEKYZERSA-N 2 0 240.391 1.872 20 0 BDADRP C[C@@H]([NH2+]CC(C)(C)N(C)C)[C@H]1CCOC1 ZINC000132047286 191024337 /nfs/dbraw/zinc/02/43/37/191024337.db2.gz LWLDFWBJFUXQLB-MNOVXSKESA-N 2 0 214.353 1.341 20 0 BDADRP CC[NH+](CC)CCCN[C@H]1CCC[C@@H]1[NH3+] ZINC000422726887 192444824 /nfs/dbraw/zinc/44/48/24/192444824.db2.gz GEUTVFAARMYNRP-RYUDHWBXSA-N 2 0 213.369 1.188 20 0 BDADRP CC[C@@H](N[C@@H](C)C[NH+](CC)CC)[C@@H]1CCC[NH2+]1 ZINC000422720517 192442942 /nfs/dbraw/zinc/44/29/42/192442942.db2.gz SPEXUQWKTCDXER-MJBXVCDLSA-N 2 0 241.423 1.837 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CCOC2)C1 ZINC000132425884 191032117 /nfs/dbraw/zinc/03/21/17/191032117.db2.gz BREAZFHGKSCXPY-YNEHKIRRSA-N 2 0 226.364 1.343 20 0 BDADRP C[C@@H]1[C@H]([NH2+][C@H]2COC(C)(C)C2)CCCN1C ZINC000418015220 323313905 /nfs/dbraw/zinc/31/39/05/323313905.db2.gz YSBFYPOBNCXZSO-IJLUTSLNSA-N 2 0 226.364 1.626 20 0 BDADRP CCC(CC)[C@@H](O)C[NH2+]C1CC[NH+](CC)CC1 ZINC000223438211 535119849 /nfs/dbraw/zinc/11/98/49/535119849.db2.gz SGANYDAQHWWQQU-AWEZNQCLSA-N 2 0 242.407 1.857 20 0 BDADRP CCOC1CC([NH2+]C[C@H]2CC[N@H+](CC)C2)C1 ZINC000162781702 350426996 /nfs/dbraw/zinc/42/69/96/350426996.db2.gz FTLLJIRXNBNKTN-PNESKVBLSA-N 2 0 226.364 1.485 20 0 BDADRP CC[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)[C@@H](C)O ZINC000623540340 362958615 /nfs/dbraw/zinc/95/86/15/362958615.db2.gz VPZFCKKVMNPYCW-WOPDTQHZSA-N 2 0 228.380 1.608 20 0 BDADRP C[N@H+](CCC[NH3+])C1Cc2ccccc2C1 ZINC000227743140 350513252 /nfs/dbraw/zinc/51/32/52/350513252.db2.gz RMACWUGQGKZIIZ-UHFFFAOYSA-N 2 0 204.317 1.434 20 0 BDADRP CC[NH+]1CCC(NC[C@@H](C)C[NH+](C)C)CC1 ZINC000336653217 350586920 /nfs/dbraw/zinc/58/69/20/350586920.db2.gz GBRRMYFRXLQPMN-GFCCVEGCSA-N 2 0 227.396 1.258 20 0 BDADRP CC(C)C[N@@H+]1CCCN(CC[NH2+]C(C)C)CC1 ZINC000366183584 350719536 /nfs/dbraw/zinc/71/95/36/350719536.db2.gz NDHSSHZELXMVTR-UHFFFAOYSA-N 2 0 241.423 1.648 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)CC1(C)C ZINC000623559985 362983648 /nfs/dbraw/zinc/98/36/48/362983648.db2.gz RDPVXFXCGZWQPA-LPWJVIDDSA-N 2 0 238.375 1.769 20 0 BDADRP CCCC[C@@H](COC)[NH2+]C[C@H](C)C[NH+](C)C ZINC000336676660 350883228 /nfs/dbraw/zinc/88/32/28/350883228.db2.gz BVTGXGPTCVMQMJ-STQMWFEESA-N 2 0 230.396 1.979 20 0 BDADRP Cc1ncc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)o1 ZINC000628327193 351263615 /nfs/dbraw/zinc/26/36/15/351263615.db2.gz MTEMTJAYSKXEDJ-PHIMTYICSA-N 2 0 223.320 1.413 20 0 BDADRP c1cc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)sn1 ZINC000404494220 351481975 /nfs/dbraw/zinc/48/19/75/351481975.db2.gz ZTVXNDXMVXQEPJ-GHMZBOCLSA-N 2 0 237.372 1.860 20 0 BDADRP CC[C@H](C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+])[NH+](C)C ZINC000637807782 351644654 /nfs/dbraw/zinc/64/46/54/351644654.db2.gz NWQRFSJYOCUBCV-QJPTWQEYSA-N 2 0 241.379 1.055 20 0 BDADRP CC[NH2+]Cc1ccccc1NC(=O)[C@H](C)[NH2+]CC ZINC000637809097 351645659 /nfs/dbraw/zinc/64/56/59/351645659.db2.gz PNIHLOAIHCQPOE-NSHDSACASA-N 2 0 249.358 1.733 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000577708954 366040957 /nfs/dbraw/zinc/04/09/57/366040957.db2.gz MDHQSQOJYKCPTA-BFHYXJOUSA-N 3 0 239.407 1.354 20 0 BDADRP C[C@H](CO)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000252727649 538101108 /nfs/dbraw/zinc/10/11/08/538101108.db2.gz LMAWHYNLKLPDIC-AVGNSLFASA-N 2 0 226.364 1.031 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC(F)(F)[C@H]2O)C1 ZINC000577768957 366056106 /nfs/dbraw/zinc/05/61/06/366056106.db2.gz YIHUKHSDVVNEDN-YTWAJWBKSA-N 2 0 248.317 1.395 20 0 BDADRP C[C@H]1CN(C2C[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000307273619 351826963 /nfs/dbraw/zinc/82/69/63/351826963.db2.gz OMSLHDLMYOARAV-ZDUSSCGKSA-N 2 0 245.370 1.165 20 0 BDADRP [NH3+]C1(CNCc2ccccn2)CCCCC1 ZINC000414846479 351848775 /nfs/dbraw/zinc/84/87/75/351848775.db2.gz SOJNERUQLVTNHB-UHFFFAOYSA-N 2 0 219.332 1.833 20 0 BDADRP CN(C)CC(=O)Nc1ccccc1-n1ccnc1 ZINC000340112870 351910207 /nfs/dbraw/zinc/91/02/07/351910207.db2.gz ULDINABVIFMVKZ-UHFFFAOYSA-N 2 0 244.298 1.372 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)CCC2C[NH2+]C2)cc1 ZINC000638174174 352043046 /nfs/dbraw/zinc/04/30/46/352043046.db2.gz KSEUTVXRKPNFFH-UHFFFAOYSA-N 2 0 233.315 1.083 20 0 BDADRP Cc1ncc([C@H](C)N2C[C@H]3C[NH2+]C[C@H]3C2)c(C)n1 ZINC000638186400 352050508 /nfs/dbraw/zinc/05/05/08/352050508.db2.gz SPVFTWHUJLIPQA-WCFLWFBJSA-N 2 0 246.358 1.306 20 0 BDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)[NH2+]CC ZINC000638280206 352117733 /nfs/dbraw/zinc/11/77/33/352117733.db2.gz AKGBIQRHQHKFFU-NWDGAFQWSA-N 2 0 243.395 1.221 20 0 BDADRP C[C@@H](CCC[NH3+])NC(=O)C[N@H+](C)CC(C)(C)C ZINC000638252576 352096018 /nfs/dbraw/zinc/09/60/18/352096018.db2.gz UGPVWJFCGFILIT-NSHDSACASA-N 2 0 243.395 1.208 20 0 BDADRP C(C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)C[C@@H]1CCO1 ZINC000638368427 352179585 /nfs/dbraw/zinc/17/95/85/352179585.db2.gz LDVUADXCULDTMF-MCIONIFRSA-N 2 0 238.375 1.772 20 0 BDADRP CC[NH+](CC)CCCN1CCC[N@H+](C)CC1 ZINC000411158332 191163095 /nfs/dbraw/zinc/16/30/95/191163095.db2.gz SFNPRNJCVWRCHG-UHFFFAOYSA-N 2 0 227.396 1.356 20 0 BDADRP CCC[N@@H+]1CC[C@@H](C[NH2+]CCC[C@H]2CCO2)C1 ZINC000638409439 352218907 /nfs/dbraw/zinc/21/89/07/352218907.db2.gz MHDKIBGIAZPOLH-KBPBESRZSA-N 2 0 240.391 1.877 20 0 BDADRP FC[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000218546987 363130832 /nfs/dbraw/zinc/13/08/32/363130832.db2.gz LDLNCQATVFWQEP-JTQLQIEISA-N 2 0 200.301 1.420 20 0 BDADRP CCCn1cc(CN[C@@H]2C[NH2+]CC[C@@H]2C)cn1 ZINC000414928315 352327560 /nfs/dbraw/zinc/32/75/60/352327560.db2.gz MUSFIAMXDMNHGS-WCQYABFASA-N 2 0 236.363 1.381 20 0 BDADRP CCN(CC[NH3+])C(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000638512772 352339345 /nfs/dbraw/zinc/33/93/45/352339345.db2.gz MJKZUXZORVFAEN-ZDUSSCGKSA-N 2 0 247.342 1.028 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000414949088 352370670 /nfs/dbraw/zinc/37/06/70/352370670.db2.gz ZOJVTBVCZJKYNS-FVCCEPFGSA-N 2 0 225.380 1.105 20 0 BDADRP CO[C@H](C[NH2+]C[C@H]1CCC[N@H+](C)C1)CC(C)C ZINC000638589385 352420774 /nfs/dbraw/zinc/42/07/74/352420774.db2.gz UBMAZGDFRJHSID-KGLIPLIRSA-N 2 0 242.407 1.979 20 0 BDADRP CCOC1CC(C[NH2+]C[C@@H](C)N(C)C2CC2)C1 ZINC000638574279 352404895 /nfs/dbraw/zinc/40/48/95/352404895.db2.gz BQUFLKNVOIEYPP-LKSINWNRSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCC[C@@H]2CCO2)CC[N@@H+]1C ZINC000638706028 352544601 /nfs/dbraw/zinc/54/46/01/352544601.db2.gz DJZGMKBRCYNMNE-FRRDWIJNSA-N 2 0 226.364 1.628 20 0 BDADRP C[C@H]1CC[C@@H](NC(=O)c2ccc(C[NH3+])cc2)C[NH2+]1 ZINC000638656572 352497530 /nfs/dbraw/zinc/49/75/30/352497530.db2.gz TYKCFRQISPNERW-GXFFZTMASA-N 2 0 247.342 1.016 20 0 BDADRP Cc1ccc(CCC[NH2+][C@H](C)[C@H](C)[NH3+])cn1 ZINC000415008531 352512598 /nfs/dbraw/zinc/51/25/98/352512598.db2.gz FDOGGLJNAGTBII-NWDGAFQWSA-N 2 0 221.348 1.648 20 0 BDADRP CC(C)C[NH+](CCN1CC[NH2+]CC1)CC(C)C ZINC000042291339 352618262 /nfs/dbraw/zinc/61/82/62/352618262.db2.gz FOXWNHSYYQBIFF-UHFFFAOYSA-N 2 0 241.423 1.506 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000040503693 352599454 /nfs/dbraw/zinc/59/94/54/352599454.db2.gz SVPGHCZWYSZFBE-AAEUAGOBSA-N 2 0 241.379 1.104 20 0 BDADRP CCOC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)C(C)C ZINC000300364777 352560716 /nfs/dbraw/zinc/56/07/16/352560716.db2.gz OEBKYAATNJHKDU-XQQFMLRXSA-N 2 0 228.380 1.907 20 0 BDADRP CC(C)C[C@H](CCO)C[NH2+][C@H](C)CCC[NH3+] ZINC000422800747 192473932 /nfs/dbraw/zinc/47/39/32/192473932.db2.gz AFFHSDUUCAOTGH-OLZOCXBDSA-N 2 0 230.396 1.748 20 0 BDADRP C[C@H]1C[C@@H](N2CC([NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000307556032 352647999 /nfs/dbraw/zinc/64/79/99/352647999.db2.gz YQIAMNNJLARDCH-SWLSCSKDSA-N 2 0 245.370 1.292 20 0 BDADRP CC(C)C[N@H+](CCN1CC[NH2+]CC1)C1CC1 ZINC000042559826 352623734 /nfs/dbraw/zinc/62/37/34/352623734.db2.gz ATODSQBGJYMFMZ-UHFFFAOYSA-N 2 0 225.380 1.012 20 0 BDADRP Oc1ccc2c(c1)C[N@@H+](CCn1ccnc1)CC2 ZINC000334210063 352806585 /nfs/dbraw/zinc/80/65/85/352806585.db2.gz GBUNARBIHHTDHD-UHFFFAOYSA-N 2 0 243.310 1.647 20 0 BDADRP C[C@@]1(CN2CCC[C@@]3(CC[NH2+]C3)C2)CC[NH2+]C1 ZINC000334255683 352865422 /nfs/dbraw/zinc/86/54/22/352865422.db2.gz YUSKMRWPSQJWAB-KGLIPLIRSA-N 3 0 237.391 1.062 20 0 BDADRP Cc1c[nH+]ccc1N1CCC[C@H]([NH+](C)C)C1 ZINC000191980385 363197713 /nfs/dbraw/zinc/19/77/13/363197713.db2.gz IPNQBSNKDKUBQO-LBPRGKRZSA-N 2 0 219.332 1.920 20 0 BDADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCC(C)(C)O)C2)C1 ZINC000334269980 352906533 /nfs/dbraw/zinc/90/65/33/352906533.db2.gz RIVVWUBDFWHKCE-CQSZACIVSA-N 2 0 240.391 1.565 20 0 BDADRP CC(C)C[C@@H](CCO)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422805520 192475699 /nfs/dbraw/zinc/47/56/99/192475699.db2.gz JGVRGZYESFFZFT-MGPQQGTHSA-N 2 0 242.407 1.761 20 0 BDADRP C[C@@H]1C[C@@H](C[NH+]2CCC([NH+](C)C)CC2)CCO1 ZINC000334253317 352890622 /nfs/dbraw/zinc/89/06/22/352890622.db2.gz XAYQGZXJXUBRGL-OLZOCXBDSA-N 2 0 240.391 1.828 20 0 BDADRP Cc1nocc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000334349943 352981127 /nfs/dbraw/zinc/98/11/27/352981127.db2.gz FFVAJRKEXDRULV-GXTWGEPZSA-N 2 0 249.358 1.899 20 0 BDADRP Cc1nccn1CC[N@H+]1CCC[C@H](CO)[C@@H]1C ZINC000412099230 191261088 /nfs/dbraw/zinc/26/10/88/191261088.db2.gz WIJXMYQTSWCGPQ-WCQYABFASA-N 2 0 237.347 1.284 20 0 BDADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@H]1CC1(F)F ZINC000638839220 353016363 /nfs/dbraw/zinc/01/63/63/353016363.db2.gz ZVCRKKGQKHGXQB-GXSJLCMTSA-N 2 0 230.302 1.882 20 0 BDADRP C[C@H](Cc1cnccn1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000638838381 353023356 /nfs/dbraw/zinc/02/33/56/353023356.db2.gz HTOYHAMCTIJRHQ-GFCCVEGCSA-N 2 0 246.358 1.259 20 0 BDADRP CC(C)[NH2+]CCC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638823027 353004349 /nfs/dbraw/zinc/00/43/49/353004349.db2.gz OKXIVUCFHBLBJX-GFCCVEGCSA-N 2 0 241.379 1.104 20 0 BDADRP CCOC1CC(C[NH2+]CCN2CC[C@@H](C)C2)C1 ZINC000638870701 353043097 /nfs/dbraw/zinc/04/30/97/353043097.db2.gz GCHAOEZVKNBVRB-IYXRBSQSSA-N 2 0 240.391 1.733 20 0 BDADRP CC[C@@](C)(C[NH2+]CCN1CC[C@H](C)C1)OC ZINC000638870672 353043137 /nfs/dbraw/zinc/04/31/37/353043137.db2.gz FMZCPCSPMGVQDR-STQMWFEESA-N 2 0 228.380 1.733 20 0 BDADRP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)C[C@@H]1CCCOC1 ZINC000336704725 188011273 /nfs/dbraw/zinc/01/12/73/188011273.db2.gz NNYGKVNGOCOASV-KGLIPLIRSA-N 2 0 240.391 1.687 20 0 BDADRP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000398681567 353128886 /nfs/dbraw/zinc/12/88/86/353128886.db2.gz NSEZYHVSCBBCQU-NNYUYHANSA-N 2 0 214.353 1.253 20 0 BDADRP COc1ccc(CC[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000251661549 188047609 /nfs/dbraw/zinc/04/76/09/188047609.db2.gz GWVWTAYJWVNJNN-IUODEOHRSA-N 2 0 248.370 1.907 20 0 BDADRP CC(C)[N@H+](C)CCNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000054133539 188048507 /nfs/dbraw/zinc/04/85/07/188048507.db2.gz QKFJKASCUZWUNX-ZDUSSCGKSA-N 2 0 249.358 1.143 20 0 BDADRP C1C[NH2+][C@H]([C@H]2CCC[C@H]2[NH2+][C@@H]2CCCOC2)C1 ZINC000093453297 188049705 /nfs/dbraw/zinc/04/97/05/188049705.db2.gz VLLHPIXBQIXUPB-YIYPIFLZSA-N 2 0 238.375 1.676 20 0 BDADRP CC1(C)OCC[C@H]1[NH2+]CCCn1ccnc1 ZINC000293794519 188051219 /nfs/dbraw/zinc/05/12/19/188051219.db2.gz QVMUFNQVHYAHEI-LLVKDONJSA-N 2 0 223.320 1.430 20 0 BDADRP C(CN1CC[C@@H]2[NH2+]CC[C@@H]2C1)C1CC[NH2+]CC1 ZINC000336266207 188054162 /nfs/dbraw/zinc/05/41/62/188054162.db2.gz ICVFAHLXLMMSMJ-KGLIPLIRSA-N 2 0 237.391 1.060 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CCOC[C@H]1C1CC1 ZINC000336409232 188056425 /nfs/dbraw/zinc/05/64/25/188056425.db2.gz NZTXOAFWMHHFQI-ZDUSSCGKSA-N 2 0 224.348 1.097 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@H](C)[NH3+] ZINC000037607231 358475345 /nfs/dbraw/zinc/47/53/45/358475345.db2.gz WUCDNMGZDCGXOG-NWDGAFQWSA-N 2 0 243.395 1.350 20 0 BDADRP CCC1([NH+](C)C)CCN(C(=O)CCC[NH3+])CC1 ZINC000638976250 353181769 /nfs/dbraw/zinc/18/17/69/353181769.db2.gz WDLBXUYESJCKJH-UHFFFAOYSA-N 2 0 241.379 1.058 20 0 BDADRP CC[C@H]([NH3+])C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000638975568 353182450 /nfs/dbraw/zinc/18/24/50/353182450.db2.gz LLNIJBANAVVRRH-NSHDSACASA-N 2 0 241.379 1.057 20 0 BDADRP COCCCCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422825917 192481313 /nfs/dbraw/zinc/48/13/13/192481313.db2.gz QEEUKLNVWKLEKE-UHFFFAOYSA-N 2 0 228.380 1.910 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@H]1CCC[C@@H]1C[NH3+] ZINC000250224437 353269413 /nfs/dbraw/zinc/26/94/13/353269413.db2.gz FFHSXKIHQBZPJP-UPJWGTAASA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@H]1NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000343273518 353302148 /nfs/dbraw/zinc/30/21/48/353302148.db2.gz YEDFAKQPIGBWDK-MBNYWOFBSA-N 2 0 237.391 1.010 20 0 BDADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)C1CC1 ZINC000122794113 324058724 /nfs/dbraw/zinc/05/87/24/324058724.db2.gz ZKPMFXMZUAXTGQ-YPMHNXCESA-N 2 0 228.380 1.731 20 0 BDADRP C[C@H](CCO)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000085127143 538115653 /nfs/dbraw/zinc/11/56/53/538115653.db2.gz NGXPHHNQXNSXQA-NEPJUHHUSA-N 2 0 228.380 1.325 20 0 BDADRP CC(C)C[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000037887123 358478789 /nfs/dbraw/zinc/47/87/89/358478789.db2.gz OECZUCQWYKMWPQ-OLZOCXBDSA-N 2 0 228.380 1.467 20 0 BDADRP CC(C)([NH3+])c1noc(CN2CCC(C)(C)C2)n1 ZINC000094803550 353521988 /nfs/dbraw/zinc/52/19/88/353521988.db2.gz YCHFNYLPQDEURY-UHFFFAOYSA-N 2 0 238.335 1.495 20 0 BDADRP C[C@H]([NH3+])CCC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000193316926 353583355 /nfs/dbraw/zinc/58/33/55/353583355.db2.gz GAKRBRAGHFQPSR-TUAOUCFPSA-N 2 0 241.379 1.103 20 0 BDADRP CC(C)[NH+]1CCC(NC[C@H]2CCC[NH2+]2)CC1 ZINC000232647224 353744522 /nfs/dbraw/zinc/74/45/22/353744522.db2.gz KDHDHTXRDCAWTI-CYBMUJFWSA-N 2 0 225.380 1.201 20 0 BDADRP CC(C)COCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000232635034 353746823 /nfs/dbraw/zinc/74/68/23/353746823.db2.gz CAIGUPJBTJEQPL-PBWFPOADSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]1CC[NH+](CCOCC[N@H+]2CC[C@H](C)C2)C1 ZINC000343459320 353896133 /nfs/dbraw/zinc/89/61/33/353896133.db2.gz TUYJMLDVTTZBMY-OKILXGFUSA-N 2 0 240.391 1.687 20 0 BDADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H](O)C(C)(C)C)CC1 ZINC000343915929 354040225 /nfs/dbraw/zinc/04/02/25/354040225.db2.gz GALPHUXYVTXSRE-CHWSQXEVSA-N 2 0 242.407 1.810 20 0 BDADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@H](O)C(C)(C)C)CC1 ZINC000343915930 354040539 /nfs/dbraw/zinc/04/05/39/354040539.db2.gz GALPHUXYVTXSRE-OLZOCXBDSA-N 2 0 242.407 1.810 20 0 BDADRP CC[N@H+](CCN[C@@H]1C[NH+](CC)C[C@H]1C)C1CC1 ZINC000343916040 354040659 /nfs/dbraw/zinc/04/06/59/354040659.db2.gz PIOGHSZVLSSONU-TZMCWYRMSA-N 2 0 239.407 1.401 20 0 BDADRP CN(CCC[NH2+]C1CC[NH2+]CC1)c1ccccc1 ZINC000038040521 358482212 /nfs/dbraw/zinc/48/22/12/358482212.db2.gz PSKJCCQFGNPWKW-UHFFFAOYSA-N 2 0 247.386 1.855 20 0 BDADRP CC[C@H](C)[C@@H](C[N@H+](C)CCC[NH+](C)C)OC ZINC000639168408 354073654 /nfs/dbraw/zinc/07/36/54/354073654.db2.gz STJMKBLOYIRODA-QWHCGFSZSA-N 2 0 230.396 1.931 20 0 BDADRP CC[C@@H](C)[C@H](C[N@H+](C)CCC[NH+](C)C)OC ZINC000639168407 354073696 /nfs/dbraw/zinc/07/36/96/354073696.db2.gz STJMKBLOYIRODA-OLZOCXBDSA-N 2 0 230.396 1.931 20 0 BDADRP C[C@@H](F)CC[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344028051 354089561 /nfs/dbraw/zinc/08/95/61/354089561.db2.gz LZRPDHGUCSKNDJ-CYBMUJFWSA-N 2 0 247.402 1.550 20 0 BDADRP CCN1C[C@H](C)[C@H]([NH2+]CCC[C@@H]2CCOC2)C1 ZINC000449685123 202002208 /nfs/dbraw/zinc/00/22/08/202002208.db2.gz RLYWBSVXBNZAAG-BFHYXJOUSA-N 2 0 240.391 1.733 20 0 BDADRP CCN1C[C@@H](C)[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)C1 ZINC000344304469 354215583 /nfs/dbraw/zinc/21/55/83/354215583.db2.gz UKIMGRNKFYCXTD-OCCSQVGLSA-N 2 0 237.391 1.178 20 0 BDADRP C[C@H]1C[C@@H](NCC[NH2+]C(C)(C)C)CC[NH2+]1 ZINC000414956266 229705548 /nfs/dbraw/zinc/70/55/48/229705548.db2.gz VCRHZTYZZZYRDO-QWRGUYRKSA-N 2 0 213.369 1.105 20 0 BDADRP C[C@@H]1[N@H+](CCC[NH3+])CCC12CCOCC2 ZINC000334837165 491062503 /nfs/dbraw/zinc/06/25/03/491062503.db2.gz JWFNMOXYDFEVIL-NSHDSACASA-N 2 0 212.337 1.226 20 0 BDADRP CC(C)COCC[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000232673931 363377846 /nfs/dbraw/zinc/37/78/46/363377846.db2.gz DQZMEJYTCNNYNW-NEPJUHHUSA-N 2 0 214.353 1.328 20 0 BDADRP CC(C)OCC[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000232702153 363380235 /nfs/dbraw/zinc/38/02/35/363380235.db2.gz RZCAMRWRKDHEBW-LLVKDONJSA-N 2 0 200.326 1.082 20 0 BDADRP CCC[C@@H](CC)[NH2+][C@@H](CCC[NH3+])COC ZINC000233288114 363398652 /nfs/dbraw/zinc/39/86/52/363398652.db2.gz RBSUUHNNANGJQH-NEPJUHHUSA-N 2 0 216.369 1.909 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCCSC1 ZINC000234754256 363428893 /nfs/dbraw/zinc/42/88/93/363428893.db2.gz AYADCPJBGMUAFR-MNOVXSKESA-N 2 0 232.393 1.226 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CC(C)(C)C ZINC000234778393 363430655 /nfs/dbraw/zinc/43/06/55/363430655.db2.gz ULLVHRNBJDWCCS-JTQLQIEISA-N 2 0 202.342 1.376 20 0 BDADRP Cc1c[nH+]ccc1N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000335165933 354922825 /nfs/dbraw/zinc/92/28/25/354922825.db2.gz KNPKHUGQMYYIRB-RYUDHWBXSA-N 2 0 231.343 1.849 20 0 BDADRP CN1CC[C@@](O)(C[NH2+][C@H]2CCCC23CCC3)C1 ZINC000335168618 354929906 /nfs/dbraw/zinc/92/99/06/354929906.db2.gz GJKQMTONEQTWQA-GXTWGEPZSA-N 2 0 238.375 1.365 20 0 BDADRP C[NH2+]C[C@@H]1CCCN1Cc1cccc2c1NCC2 ZINC000346670108 355007412 /nfs/dbraw/zinc/00/74/12/355007412.db2.gz JNWPSBYFNNUZDV-AWEZNQCLSA-N 2 0 245.370 1.838 20 0 BDADRP CC[C@@H]1C[C@H](C[N@@H+]2CCC[C@H]2C[NH2+]C)CCO1 ZINC000346678601 355010167 /nfs/dbraw/zinc/01/01/67/355010167.db2.gz MEEKTWBJDDQKBM-HZSPNIEDSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1cnc(CN(C)CC[C@@H]([NH3+])C(C)C)cn1 ZINC000346686581 355013156 /nfs/dbraw/zinc/01/31/56/355013156.db2.gz RKGLFGXZBNRRKN-CYBMUJFWSA-N 2 0 236.363 1.590 20 0 BDADRP COc1ccsc1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000346638249 355015539 /nfs/dbraw/zinc/01/55/39/355015539.db2.gz JGFPNFVXVCFSRK-UWVGGRQHSA-N 2 0 240.372 1.926 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@H]3CCSC3)C2)C1 ZINC000335228627 355070777 /nfs/dbraw/zinc/07/07/77/355070777.db2.gz NVTQVRYIHWWMKJ-CHWSQXEVSA-N 2 0 240.416 1.767 20 0 BDADRP CC1(C)OC[C@H]2C[C@]21[NH2+]CC1CC[NH2+]CC1 ZINC000530244521 324555898 /nfs/dbraw/zinc/55/58/98/324555898.db2.gz MBCNHCJHOLBFGA-YPMHNXCESA-N 2 0 224.348 1.143 20 0 BDADRP COC1CCC(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000422836942 192484806 /nfs/dbraw/zinc/48/48/06/192484806.db2.gz LAPIXOROGSYFQF-HHTDUIENSA-N 2 0 240.391 1.909 20 0 BDADRP CC(C)([NH3+])CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000346818169 355124179 /nfs/dbraw/zinc/12/41/79/355124179.db2.gz GMBDXCDCLPAOKD-ZDUSSCGKSA-N 2 0 239.407 1.674 20 0 BDADRP CC(C)C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000335238102 355099968 /nfs/dbraw/zinc/09/99/68/355099968.db2.gz KWCATERVZVYMMO-UONOGXRCSA-N 2 0 240.391 1.861 20 0 BDADRP Cc1n[nH]cc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000346827901 355127360 /nfs/dbraw/zinc/12/73/60/355127360.db2.gz MUEJMMRRWDCLPZ-UHTWSYAYSA-N 2 0 234.347 1.277 20 0 BDADRP Cc1n[nH]cc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000346827903 355127804 /nfs/dbraw/zinc/12/78/04/355127804.db2.gz MUEJMMRRWDCLPZ-WCFLWFBJSA-N 2 0 234.347 1.277 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CCOC2)[C@@H](C)C1 ZINC000346881656 355143666 /nfs/dbraw/zinc/14/36/66/355143666.db2.gz OGTXWCAGLCZEGA-MJBXVCDLSA-N 2 0 240.391 1.733 20 0 BDADRP CCC[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000346988470 355189363 /nfs/dbraw/zinc/18/93/63/355189363.db2.gz RGKCPIQJFVCVKO-CYBMUJFWSA-N 2 0 226.364 1.487 20 0 BDADRP CCOC[C@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346996100 355194417 /nfs/dbraw/zinc/19/44/17/355194417.db2.gz WJDWGJLQAHVVMS-OLZOCXBDSA-N 2 0 226.364 1.344 20 0 BDADRP COC(=O)CC1([NH2+]C[C@@H]2CCC[NH2+]C2)CCC1 ZINC000346996822 355195021 /nfs/dbraw/zinc/19/50/21/355195021.db2.gz DAJZMCLJPZVPCS-LLVKDONJSA-N 2 0 240.347 1.061 20 0 BDADRP CC(C)[N@H+](C)CCNc1cc(NC2CC2)ncn1 ZINC000413118058 191357019 /nfs/dbraw/zinc/35/70/19/191357019.db2.gz YTWLUPZBRQUEIQ-UHFFFAOYSA-N 2 0 249.362 1.803 20 0 BDADRP Cc1ccncc1CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000347667985 355257400 /nfs/dbraw/zinc/25/74/00/355257400.db2.gz HGBYKBULMRPUQB-CYBMUJFWSA-N 2 0 247.342 1.272 20 0 BDADRP CC[C@H]([NH2+]CCCC[NH+](C)C)c1ccn(C)n1 ZINC000349465055 355386541 /nfs/dbraw/zinc/38/65/41/355386541.db2.gz UOXYBVHBRMNICH-LBPRGKRZSA-N 2 0 238.379 1.803 20 0 BDADRP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CC23CC3)CC1 ZINC000639277581 355357730 /nfs/dbraw/zinc/35/77/30/355357730.db2.gz QLUCCCAZRMNIOJ-LBPRGKRZSA-N 2 0 238.375 1.364 20 0 BDADRP C[C@@H]1C[NH+](CC[C@@H]2CC[NH2+]C2)C[C@@H](C)S1 ZINC000084386057 355361127 /nfs/dbraw/zinc/36/11/27/355361127.db2.gz FKMNFEAFINMLJP-UTUOFQBUSA-N 2 0 228.405 1.812 20 0 BDADRP c1ncn2c1C[N@H+](C[C@@H]1CCCOC1)CC2 ZINC000335774959 355399748 /nfs/dbraw/zinc/39/97/48/355399748.db2.gz FHLBQAJJIONVEC-NSHDSACASA-N 2 0 221.304 1.125 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000414699226 191548658 /nfs/dbraw/zinc/54/86/58/191548658.db2.gz JPDOJUCKPWKAMK-RWMBFGLXSA-N 2 0 225.380 1.044 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+]C(C)(C)CCO)CC[NH2+]1 ZINC000414706365 191553413 /nfs/dbraw/zinc/55/34/13/191553413.db2.gz LRIDDNWPFGAJDA-MNOVXSKESA-N 2 0 214.353 1.125 20 0 BDADRP CC[C@](C)(CCO)[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414708929 191553417 /nfs/dbraw/zinc/55/34/17/191553417.db2.gz OFWJWGTUJJWOBZ-YNEHKIRRSA-N 2 0 228.380 1.515 20 0 BDADRP CC[C@@H](COC)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414825781 191588267 /nfs/dbraw/zinc/58/82/67/191588267.db2.gz HQZMGEQBDFJJSE-WSMDXJOWSA-N 2 0 212.337 1.284 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+]Cc1cccc(COC)c1 ZINC000414836409 191594705 /nfs/dbraw/zinc/59/47/05/191594705.db2.gz JEAFDXPYWWTSOD-LBPRGKRZSA-N 2 0 236.359 1.778 20 0 BDADRP Cc1ccncc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414842153 191597205 /nfs/dbraw/zinc/59/72/05/191597205.db2.gz YOJQHOJYQKOLAJ-LBPRGKRZSA-N 2 0 219.332 1.479 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000414747625 191561152 /nfs/dbraw/zinc/56/11/52/191561152.db2.gz HIKHOTHFALIFQW-CHWSQXEVSA-N 2 0 227.396 1.434 20 0 BDADRP C[C@@H](CC[NH3+])NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000349941314 355532643 /nfs/dbraw/zinc/53/26/43/355532643.db2.gz WTGCWJTVJLOJGK-NSHDSACASA-N 2 0 249.358 1.215 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2cncc(F)c2)C1 ZINC000415013596 191649954 /nfs/dbraw/zinc/64/99/54/191649954.db2.gz YNAVYEWABIKXRW-ZWNOBZJWSA-N 2 0 237.322 1.828 20 0 BDADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]C2CCC([NH3+])CC2)CC1 ZINC000415025228 191655298 /nfs/dbraw/zinc/65/52/98/191655298.db2.gz PIDXQJQZCAEQLI-HXZBBRIXSA-N 3 0 239.407 1.611 20 0 BDADRP Cc1ccncc1C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415034176 191659089 /nfs/dbraw/zinc/65/90/89/191659089.db2.gz JOVJWJRIWRQLNG-YPMHNXCESA-N 2 0 219.332 1.607 20 0 BDADRP C[C@H]1C[C@@H](C[NH2+][C@H](CO)c2ccccc2)CC[NH2+]1 ZINC000415078444 191672236 /nfs/dbraw/zinc/67/22/36/191672236.db2.gz IOWXCIAZWQYHFW-KCQAQPDRSA-N 2 0 248.370 1.698 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[NH2+][C@@H](C)Cn1cccn1 ZINC000415079875 191673145 /nfs/dbraw/zinc/67/31/45/191673145.db2.gz IJSCXISYTRGHDM-NWDGAFQWSA-N 2 0 224.352 1.235 20 0 BDADRP COc1ccc(CC[NH2+]C[C@]2(C)CC[NH2+]C2)cc1 ZINC000415086356 191673642 /nfs/dbraw/zinc/67/36/42/191673642.db2.gz UKXKNEJAVFMVGW-HNNXBMFYSA-N 2 0 248.370 1.827 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000582181902 355646075 /nfs/dbraw/zinc/64/60/75/355646075.db2.gz ZITIHCNNWIYTNO-WDEREUQCSA-N 3 0 221.348 1.361 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1CC1(F)F ZINC000639313490 355691200 /nfs/dbraw/zinc/69/12/00/355691200.db2.gz WFJRYZTXRPDFSE-MMWGEVLESA-N 2 0 232.318 1.960 20 0 BDADRP CO[C@H](C[NH2+]C[C@H]1CCCC[N@H+](C)C1)C1CC1 ZINC000639347747 355794502 /nfs/dbraw/zinc/79/45/02/355794502.db2.gz PIIUZNXOGJVXAO-TZMCWYRMSA-N 2 0 240.391 1.733 20 0 BDADRP CO[C@@H](C[NH2+]C[C@H]1CCCC[N@H+](C)C1)C1CC1 ZINC000639347746 355794534 /nfs/dbraw/zinc/79/45/34/355794534.db2.gz PIIUZNXOGJVXAO-OCCSQVGLSA-N 2 0 240.391 1.733 20 0 BDADRP COc1cccc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000216035473 355798968 /nfs/dbraw/zinc/79/89/68/355798968.db2.gz SQDDZDPJYZROHE-YPMHNXCESA-N 2 0 234.343 1.864 20 0 BDADRP CC[NH+]1CCC(NC[C@H]2CCC[N@@H+]2C)CC1 ZINC000166885038 355862003 /nfs/dbraw/zinc/86/20/03/355862003.db2.gz BNBHNRJHVCKFOC-CYBMUJFWSA-N 2 0 225.380 1.155 20 0 BDADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@@H]([NH3+])CC ZINC000417847128 191936947 /nfs/dbraw/zinc/93/69/47/191936947.db2.gz ZFPOURVGTKJIMI-STQMWFEESA-N 2 0 249.358 1.102 20 0 BDADRP C[N@H+](CCCCF)CCCN1CC[NH+](C)CC1 ZINC000351732042 356072874 /nfs/dbraw/zinc/07/28/74/356072874.db2.gz ZEAVXUDDOYZWLE-UHFFFAOYSA-N 2 0 245.386 1.305 20 0 BDADRP COc1cc(C[NH2+]CCC[NH3+])ccc1C ZINC000163276490 491087101 /nfs/dbraw/zinc/08/71/01/491087101.db2.gz HVUJPWBVHVNJOS-UHFFFAOYSA-N 2 0 208.305 1.442 20 0 BDADRP C[C@H]1OCC[C@@H]1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000639452416 356232737 /nfs/dbraw/zinc/23/27/37/356232737.db2.gz BOVKPRKYELJPEY-TZMCWYRMSA-N 2 0 240.391 1.685 20 0 BDADRP [NH3+]CC1CC[NH+](CCCc2ccncc2)CC1 ZINC000420268305 192192718 /nfs/dbraw/zinc/19/27/18/192192718.db2.gz GNYHVEZWBAZJGV-UHFFFAOYSA-N 2 0 233.359 1.685 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCS[C@H](C)CC1 ZINC000379473567 358501334 /nfs/dbraw/zinc/50/13/34/358501334.db2.gz VJEBJPZEQIFPQF-VXGBXAGGSA-N 2 0 246.420 1.126 20 0 BDADRP C(C[N@@H+]1CCC[C@@H]2COCC[C@@H]21)[C@H]1CC[NH2+]C1 ZINC000420299221 192204377 /nfs/dbraw/zinc/20/43/77/192204377.db2.gz IJVMVGRXEGHVIL-MCIONIFRSA-N 2 0 238.375 1.487 20 0 BDADRP CC[NH2+]CC1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420296277 192205888 /nfs/dbraw/zinc/20/58/88/192205888.db2.gz XAKADAKCXVSNDD-CYBMUJFWSA-N 3 0 239.407 1.308 20 0 BDADRP CCC[C@H]1CCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000420296037 192205992 /nfs/dbraw/zinc/20/59/92/192205992.db2.gz CWLJCULNZVIVQN-AWEZNQCLSA-N 2 0 239.407 1.404 20 0 BDADRP C[C@H](C[NH3+])N(C)CCC[NH+]1CCCCC1 ZINC000420291005 192201274 /nfs/dbraw/zinc/20/12/74/192201274.db2.gz MWXHZRPJJJDYMF-GFCCVEGCSA-N 2 0 213.369 1.141 20 0 BDADRP C[NH2+]C1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000420294900 192203104 /nfs/dbraw/zinc/20/31/04/192203104.db2.gz OUXDJFWJLGXQDF-UHFFFAOYSA-N 2 0 239.407 1.546 20 0 BDADRP C[N@H+](CC[C@H]1CC[NH2+]C1)[C@@H]1CCN(C2CC2)C1 ZINC000420317196 192213369 /nfs/dbraw/zinc/21/33/69/192213369.db2.gz MQIBHKWUPDXOKB-TZMCWYRMSA-N 2 0 237.391 1.155 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)[C@H](CN)C1 ZINC000420339709 192215857 /nfs/dbraw/zinc/21/58/57/192215857.db2.gz OVQAGXZEZBDVRJ-UPJWGTAASA-N 2 0 225.380 1.045 20 0 BDADRP COC(=O)[C@@H]1CCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000420352967 192218355 /nfs/dbraw/zinc/21/83/55/192218355.db2.gz BBTOOKVTCUODAA-LBPRGKRZSA-N 2 0 240.347 1.014 20 0 BDADRP CCOC(=O)CCCC[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000420305725 192208459 /nfs/dbraw/zinc/20/84/59/192208459.db2.gz ZEXNNTJCIXGLKW-GFCCVEGCSA-N 2 0 242.363 1.261 20 0 BDADRP CCOC(=O)CCCC[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420307001 192208882 /nfs/dbraw/zinc/20/88/82/192208882.db2.gz LOQWOKNKEHXERE-VXGBXAGGSA-N 2 0 242.363 1.389 20 0 BDADRP CC[C@@]1(C)CCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000420304415 192209353 /nfs/dbraw/zinc/20/93/53/192209353.db2.gz OLKXPNORCJEGGY-AWEZNQCLSA-N 2 0 239.407 1.404 20 0 BDADRP CCC[C@H]1CNCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420305424 192209708 /nfs/dbraw/zinc/20/97/08/192209708.db2.gz KFTGTZBKEJZQPU-KBPBESRZSA-N 2 0 239.407 1.450 20 0 BDADRP C(CN(C1CC1)[C@@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000420310230 192210155 /nfs/dbraw/zinc/21/01/55/192210155.db2.gz FQIGRSLJZRVUPU-GXTWGEPZSA-N 2 0 237.391 1.202 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCCc3ccncc3)C[C@@H]12 ZINC000420315699 192212089 /nfs/dbraw/zinc/21/20/89/192212089.db2.gz XGDXWIFVEGIEGX-RBSFLKMASA-N 2 0 245.370 1.683 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC[C@H]3CCC[NH2+]C3)C[C@@H]12 ZINC000420314673 192212463 /nfs/dbraw/zinc/21/24/63/192212463.db2.gz WAVAWXIEZASFAC-AAVRWANBSA-N 3 0 237.391 1.045 20 0 BDADRP CC[NH+](CC)CCCN1CC[NH2+]C[C@@](C)(F)C1 ZINC000420322549 192228204 /nfs/dbraw/zinc/22/82/04/192228204.db2.gz AKFAKOKXASEUAN-CYBMUJFWSA-N 2 0 245.386 1.352 20 0 BDADRP c1cc(C2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)n[nH]1 ZINC000420327754 192229471 /nfs/dbraw/zinc/22/94/71/192229471.db2.gz ZAWIHTIRKQGJBO-GFCCVEGCSA-N 2 0 248.374 1.589 20 0 BDADRP CC[C@@H](c1ccccc1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420357691 192220239 /nfs/dbraw/zinc/22/02/39/192220239.db2.gz SLLCRVMFVPKMCD-STQMWFEESA-N 2 0 222.332 1.389 20 0 BDADRP CC(C)[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000420359973 192221427 /nfs/dbraw/zinc/22/14/27/192221427.db2.gz LITUJIATPWDDOS-KGLIPLIRSA-N 2 0 240.391 1.733 20 0 BDADRP C[NH2+]CCC[NH+]1CCC(c2ccncc2)CC1 ZINC000420362529 192222231 /nfs/dbraw/zinc/22/22/31/192222231.db2.gz OMOHOWONVIOWKJ-UHFFFAOYSA-N 2 0 233.359 1.871 20 0 BDADRP CC(C)(C)[C@@H](CN)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000420359724 192222651 /nfs/dbraw/zinc/22/26/51/192222651.db2.gz KFJPBZLFUNJSNW-VXGBXAGGSA-N 2 0 227.396 1.339 20 0 BDADRP Cc1cccc([C@@H]2CCC[N@@H+]2CCC[NH3+])n1 ZINC000580408878 358502315 /nfs/dbraw/zinc/50/23/15/358502315.db2.gz DNPVEUSEDOQGRC-ZDUSSCGKSA-N 2 0 219.332 1.876 20 0 BDADRP CC(C)[N@H+](CCN1CC[NH2+]CC1)CC1CCC1 ZINC000420363715 192223983 /nfs/dbraw/zinc/22/39/83/192223983.db2.gz CCGHKIDSMKNBSC-UHFFFAOYSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@@H](C[N@H+](C)CCOCC[NH3+])c1nccs1 ZINC000420365116 192224480 /nfs/dbraw/zinc/22/44/80/192224480.db2.gz RUPQLHCNIGTMNX-JTQLQIEISA-N 2 0 243.376 1.154 20 0 BDADRP CN(CC[NH3+])CCCOCCc1ccccc1 ZINC000420368531 192225071 /nfs/dbraw/zinc/22/50/71/192225071.db2.gz BBAQZKTVTKHHCA-UHFFFAOYSA-N 2 0 236.359 1.526 20 0 BDADRP C(C[N@@H+]1CCOC[C@@H]1C1CC1)[C@H]1CCC[NH2+]C1 ZINC000420368362 192225185 /nfs/dbraw/zinc/22/51/85/192225185.db2.gz WQNQGCFSEBCILI-TZMCWYRMSA-N 2 0 238.375 1.487 20 0 BDADRP CCN1C[C@H](C)[N@H+](CC[C@@H]2CC[NH2+]C2)C[C@H]1C ZINC000420366402 192225242 /nfs/dbraw/zinc/22/52/42/192225242.db2.gz ULPIZEQUXZINPV-RDBSUJKOSA-N 2 0 239.407 1.401 20 0 BDADRP C[NH2+]CCCN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420393809 192236009 /nfs/dbraw/zinc/23/60/09/192236009.db2.gz KACTVROZYLNKLE-QWHCGFSZSA-N 2 0 225.380 1.060 20 0 BDADRP C[NH2+]CCCN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420393811 192236565 /nfs/dbraw/zinc/23/65/65/192236565.db2.gz KACTVROZYLNKLE-STQMWFEESA-N 2 0 225.380 1.060 20 0 BDADRP C[NH2+]CCC[NH2+][C@H](C)[C@@H]1COc2ccccc21 ZINC000420394070 192237267 /nfs/dbraw/zinc/23/72/67/192237267.db2.gz CLQOBIGJNOBRGW-YPMHNXCESA-N 2 0 234.343 1.750 20 0 BDADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000420398322 192237819 /nfs/dbraw/zinc/23/78/19/192237819.db2.gz GWQYFQVXFDTIAT-YPMHNXCESA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]1CCC[C@H]([NH2+]CCOCC[NH3+])[C@@H]1C ZINC000420403122 192238320 /nfs/dbraw/zinc/23/83/20/192238320.db2.gz KOTKPSRYYNQZHX-UTUOFQBUSA-N 2 0 214.353 1.376 20 0 BDADRP C[C@@H]1CCC[C@@H]([NH2+]CCOCC[NH3+])[C@H]1C ZINC000420403120 192238461 /nfs/dbraw/zinc/23/84/61/192238461.db2.gz KOTKPSRYYNQZHX-GRYCIOLGSA-N 2 0 214.353 1.376 20 0 BDADRP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]CCC[NH3+] ZINC000420414067 192240404 /nfs/dbraw/zinc/24/04/04/192240404.db2.gz UGBSTMRXPVBDGZ-RYUDHWBXSA-N 2 0 214.353 1.519 20 0 BDADRP C[N@@H+](CCc1nccs1)CC[C@@H]1CC[NH2+]C1 ZINC000420375010 192231938 /nfs/dbraw/zinc/23/19/38/192231938.db2.gz OORXMTYIKYLVBC-NSHDSACASA-N 2 0 239.388 1.617 20 0 BDADRP c1c[nH]c([C@@H]2CCC[N@H+]2CCC2CC[NH2+]CC2)n1 ZINC000420376617 192231998 /nfs/dbraw/zinc/23/19/98/192231998.db2.gz QVBOSSFXYARSDZ-ZDUSSCGKSA-N 2 0 248.374 1.936 20 0 BDADRP Cc1cc(C)c(C[N@H+]2C[C@@H](O)C[C@@H]2C)c(C)n1 ZINC000639551048 356434314 /nfs/dbraw/zinc/43/43/14/356434314.db2.gz GHQGJWIABMFKSS-AAEUAGOBSA-N 2 0 234.343 1.962 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@H+](C)CCC[NH+]1CCCC1 ZINC000639621960 356540716 /nfs/dbraw/zinc/54/07/16/356540716.db2.gz CCKAZQXSOXCXNA-UONOGXRCSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@H]1OCC[C@H]1C[N@H+](C)CCC[NH+]1CCCC1 ZINC000639621959 356541318 /nfs/dbraw/zinc/54/13/18/356541318.db2.gz CCKAZQXSOXCXNA-KGLIPLIRSA-N 2 0 240.391 1.829 20 0 BDADRP CC[C@@H](COC)[NH2+]CCN1CCCC1(C)C ZINC000449782849 202034671 /nfs/dbraw/zinc/03/46/71/202034671.db2.gz MEUFWGHJQHGELD-LBPRGKRZSA-N 2 0 228.380 1.875 20 0 BDADRP C([C@H]1CCC[NH2+]C1)[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000336197906 134127170 /nfs/dbraw/zinc/12/71/70/134127170.db2.gz RFNXHASTPNTHEE-QWHCGFSZSA-N 2 0 224.348 1.098 20 0 BDADRP C[C@@H]1CC[C@H](O)C[N@@H+]1CCC[NH+]1CCCCC1 ZINC000421033297 192309203 /nfs/dbraw/zinc/30/92/03/192309203.db2.gz XNICENHWWFUMPG-KGLIPLIRSA-N 2 0 240.391 1.708 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)[C@@H]1CCOC1 ZINC000162760415 202057836 /nfs/dbraw/zinc/05/78/36/202057836.db2.gz RBZLZAAZDBDVEM-XQQFMLRXSA-N 2 0 226.364 1.485 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422972623 192531905 /nfs/dbraw/zinc/53/19/05/192531905.db2.gz AATUPBSKVCDZBU-VWYCJHECSA-N 2 0 200.326 1.007 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)[C@@H]1CCCC[NH2+]1 ZINC000423005223 192535586 /nfs/dbraw/zinc/53/55/86/192535586.db2.gz LXYUMJQNINQUKO-SYQHCUMBSA-N 2 0 240.391 1.658 20 0 BDADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000423020155 192541516 /nfs/dbraw/zinc/54/15/16/192541516.db2.gz YYQYSPSHAZSGIE-YNEHKIRRSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@]1(C)CCO[C@H]1C1CC1 ZINC000423050876 192550690 /nfs/dbraw/zinc/55/06/90/192550690.db2.gz MYBXUUBPNZTHJE-XBFCOCLRSA-N 2 0 240.391 1.909 20 0 BDADRP COC[C@H]([NH2+][C@@H](C)CCCC[NH3+])[C@H]1CCCO1 ZINC000423090266 192564767 /nfs/dbraw/zinc/56/47/67/192564767.db2.gz XBINKVQUNMVRKE-RWMBFGLXSA-N 2 0 244.379 1.288 20 0 BDADRP C[C@@H](O)CC[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756454 356660751 /nfs/dbraw/zinc/66/07/51/356660751.db2.gz VLDFWQOLIVXZIJ-GFCCVEGCSA-N 2 0 226.364 1.175 20 0 BDADRP C[NH+]1CCC2(CC[N@H+](Cc3ncc[nH]3)C2)CC1 ZINC000639757048 356663114 /nfs/dbraw/zinc/66/31/14/356663114.db2.gz CMMYYQIAGLIYKW-UHFFFAOYSA-N 2 0 234.347 1.327 20 0 BDADRP C[C@@H](CO)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639758868 356669767 /nfs/dbraw/zinc/66/97/67/356669767.db2.gz XVKREQXVDNXXJX-GFCCVEGCSA-N 2 0 226.364 1.033 20 0 BDADRP [NH3+]CCC[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000168082234 134156170 /nfs/dbraw/zinc/15/61/70/134156170.db2.gz RFIZSCATLFRTQC-GFCCVEGCSA-N 2 0 224.735 1.746 20 0 BDADRP C[C@@H]([NH2+]C[C@H](CO)C1CCCCC1)C1C[NH2+]C1 ZINC000423132417 192580521 /nfs/dbraw/zinc/58/05/21/192580521.db2.gz JGCMRKKTONZDIZ-BXUZGUMPSA-N 2 0 240.391 1.373 20 0 BDADRP COCC[C@H](COC)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423140256 192585318 /nfs/dbraw/zinc/58/53/18/192585318.db2.gz MDDNNBFJUOWDIG-WXRRBKDZSA-N 2 0 244.379 1.145 20 0 BDADRP CCC[C@H](O)C[N@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000450466513 202176103 /nfs/dbraw/zinc/17/61/03/202176103.db2.gz JACQOPFKICKVFS-UPJWGTAASA-N 2 0 228.380 1.562 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000423167687 192604105 /nfs/dbraw/zinc/60/41/05/192604105.db2.gz FNLGDWYABZEKRM-GFCCVEGCSA-N 3 0 246.358 1.941 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H](C)O[C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000423176494 192610291 /nfs/dbraw/zinc/61/02/91/192610291.db2.gz GCQWOMJNJXVTCQ-MBJXGIAVSA-N 2 0 240.391 1.920 20 0 BDADRP C[C@]12C[C@H]1CCC[C@H]2[NH2+]C1CC[NH2+]CC1 ZINC000423179172 192612231 /nfs/dbraw/zinc/61/22/31/192612231.db2.gz HHKIXEUTIWHDIZ-RTXFEEFZSA-N 2 0 208.349 1.907 20 0 BDADRP COCC1CCC([NH2+][C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000423192866 192618111 /nfs/dbraw/zinc/61/81/11/192618111.db2.gz VFCZMKIGCWGFBS-YIOUJQMASA-N 2 0 240.391 1.909 20 0 BDADRP CCC[C@H](C)[C@H](CC)[NH2+]CCN1CC[NH2+]CC1 ZINC000423204809 192626007 /nfs/dbraw/zinc/62/60/07/192626007.db2.gz OPYQFESKSUCNFL-KBPBESRZSA-N 2 0 241.423 1.696 20 0 BDADRP C[C@@H](CCC(C)(C)C)[NH2+]CCN1CC[NH2+]CC1 ZINC000423207501 192627461 /nfs/dbraw/zinc/62/74/61/192627461.db2.gz RROQDIJFYFTGMJ-ZDUSSCGKSA-N 2 0 241.423 1.696 20 0 BDADRP C[C@H](Cc1ccoc1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423221448 192633011 /nfs/dbraw/zinc/63/30/11/192633011.db2.gz ZWAYDMRHTGEFOY-YPMHNXCESA-N 2 0 222.332 1.800 20 0 BDADRP C[C@H](CC[NH2+]CC1(O)CCC1)[NH+]1CCCCC1 ZINC000582416470 357138867 /nfs/dbraw/zinc/13/88/67/357138867.db2.gz WILGXPGSAXBNSL-CYBMUJFWSA-N 2 0 240.391 1.756 20 0 BDADRP CCSCC[N@@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000130047592 357164049 /nfs/dbraw/zinc/16/40/49/357164049.db2.gz SLELGMBKDDXUQA-QWRGUYRKSA-N 2 0 216.394 1.799 20 0 BDADRP CC[NH+]1CCC([NH2+]CC(C)(C)CCO)CC1 ZINC000122135192 357166764 /nfs/dbraw/zinc/16/67/64/357166764.db2.gz HORNQIWVWAMGSD-UHFFFAOYSA-N 2 0 228.380 1.469 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]1 ZINC000423272311 192665426 /nfs/dbraw/zinc/66/54/26/192665426.db2.gz JUOMCJIJPVSXPK-YNEHKIRRSA-N 3 0 225.380 1.106 20 0 BDADRP c1c[nH]c(CNc2cc3c(c[nH+]2)CCC3)n1 ZINC000393510440 357286357 /nfs/dbraw/zinc/28/63/57/357286357.db2.gz ZDZRYWYDIVDIOP-UHFFFAOYSA-N 2 0 214.272 1.906 20 0 BDADRP CC[NH+]1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000378438078 357253410 /nfs/dbraw/zinc/25/34/10/357253410.db2.gz VAKOTYSVYMXHFT-UHFFFAOYSA-N 2 0 226.364 1.441 20 0 BDADRP COC[C@@H](C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000393390292 357308228 /nfs/dbraw/zinc/30/82/28/357308228.db2.gz CLXOXNASYARMHU-AEGPPILISA-N 2 0 248.370 1.696 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)C(C)(C)O ZINC000394004607 357315390 /nfs/dbraw/zinc/31/53/90/357315390.db2.gz MLBSEUFLDBWKKT-AXFHLTTASA-N 2 0 214.353 1.395 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](CO)CC2CCC2)C1 ZINC000583153803 357496859 /nfs/dbraw/zinc/49/68/59/357496859.db2.gz SQSAKUXICIQVAE-AGIUHOORSA-N 2 0 226.364 1.397 20 0 BDADRP C[NH2+]CCCN(C)C(=O)[C@@H]([NH3+])c1ccc(C)cc1 ZINC000230801872 357574666 /nfs/dbraw/zinc/57/46/66/357574666.db2.gz DQCNLABNGDEAHI-ZDUSSCGKSA-N 2 0 249.358 1.063 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000230479224 357525935 /nfs/dbraw/zinc/52/59/35/357525935.db2.gz VASLZAAJWNIYEP-DGCLKSJQSA-N 2 0 228.380 1.373 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+]CC2(O)CCCC2)CC1(C)C ZINC000623412433 357586005 /nfs/dbraw/zinc/58/60/05/357586005.db2.gz KTWUTSSLAFCEPR-GFCCVEGCSA-N 2 0 240.391 1.754 20 0 BDADRP CCC[C@@H](CCO)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000631667455 357698184 /nfs/dbraw/zinc/69/81/84/357698184.db2.gz PLDAADQHEKPFJN-JSGCOSHPSA-N 2 0 242.407 1.857 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]CCC[NH2+]C2CC2)C1(C)C ZINC000233783842 357748061 /nfs/dbraw/zinc/74/80/61/357748061.db2.gz ZORKIDBEMZOPOP-CHWSQXEVSA-N 2 0 240.391 1.922 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C1CCC(C)CC1 ZINC000234776596 357827615 /nfs/dbraw/zinc/82/76/15/357827615.db2.gz MKPHGQDSZIJBKB-BPCQOVAHSA-N 2 0 228.380 1.909 20 0 BDADRP CCC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623416038 357828602 /nfs/dbraw/zinc/82/86/02/357828602.db2.gz GTKLDSLCUREWKI-NEPJUHHUSA-N 2 0 228.380 1.610 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@]1(C)CCCS1 ZINC000234790202 357828918 /nfs/dbraw/zinc/82/89/18/357828918.db2.gz TYBKYOOBSRDZAW-NWDGAFQWSA-N 2 0 246.420 1.616 20 0 BDADRP CCN1CCCC[C@@H]1C[NH2+][C@@H]1CCOC[C@@H]1C ZINC000192567934 357844543 /nfs/dbraw/zinc/84/45/43/357844543.db2.gz AGBMBINYYBIDJH-BFHYXJOUSA-N 2 0 240.391 1.875 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCCOC(F)F)C1 ZINC000398272077 357882066 /nfs/dbraw/zinc/88/20/66/357882066.db2.gz VJRVCRWPRTYCBB-BDAKNGLRSA-N 2 0 222.279 1.475 20 0 BDADRP C[N@H+](CC1CC[NH2+]CC1)C1CCOCC1 ZINC000036321620 358020041 /nfs/dbraw/zinc/02/00/41/358020041.db2.gz ZZUKJNPCAMFKMM-UHFFFAOYSA-N 2 0 212.337 1.097 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2O)CC1(C)C ZINC000623418331 358062026 /nfs/dbraw/zinc/06/20/26/358062026.db2.gz MCLOHXQQQAFCBY-YNEHKIRRSA-N 2 0 240.391 1.752 20 0 BDADRP Cc1ccc(O)c(CN2CCC[C@H]2C[NH3+])n1 ZINC000168787798 134248074 /nfs/dbraw/zinc/24/80/74/134248074.db2.gz YCYXHUUTFISJDN-JTQLQIEISA-N 2 0 221.304 1.019 20 0 BDADRP CCC1([NH+](C)C)CC[NH+](CC[C@H](C)O)CC1 ZINC000640016076 358068887 /nfs/dbraw/zinc/06/88/87/358068887.db2.gz RZFBKLGGNHRMSQ-LBPRGKRZSA-N 2 0 228.380 1.564 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@H](C)[C@@H](C)CO)CC1 ZINC000134184128 325347835 /nfs/dbraw/zinc/34/78/35/325347835.db2.gz BGEJJGXTMNOMDO-NWDGAFQWSA-N 2 0 228.380 1.466 20 0 BDADRP CC[C@@]1(O)CCC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000640036880 358136546 /nfs/dbraw/zinc/13/65/46/358136546.db2.gz YOOIRUZQSVECBD-ZIAGYGMSSA-N 2 0 240.391 1.708 20 0 BDADRP CCC([NH3+])(CC)CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000584851190 358209571 /nfs/dbraw/zinc/20/95/71/358209571.db2.gz VWYOKCZQTACSCF-WDEREUQCSA-N 3 0 213.369 1.363 20 0 BDADRP CC(C)C[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)[NH+](C)C ZINC000222911611 358216349 /nfs/dbraw/zinc/21/63/49/358216349.db2.gz DDQXVMQNKOILGM-HZSPNIEDSA-N 2 0 241.423 1.822 20 0 BDADRP C[C@@H](CO)[C@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000450738127 202252045 /nfs/dbraw/zinc/25/20/45/202252045.db2.gz LYBLVGGSFFORLA-STQMWFEESA-N 2 0 228.380 1.469 20 0 BDADRP C[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)C[C@H](C)S1 ZINC000226682670 358342711 /nfs/dbraw/zinc/34/27/11/358342711.db2.gz UMEAXVMVDWXSRF-TUAOUCFPSA-N 2 0 228.405 1.812 20 0 BDADRP CCC[C@H](CCO)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000227416776 358356743 /nfs/dbraw/zinc/35/67/43/358356743.db2.gz FYMGSDXKUSUHPS-JHJVBQTASA-N 2 0 228.380 1.645 20 0 BDADRP CC[NH+]1CCC(C[NH2+]C2CCOCC2)CC1 ZINC000044517708 358388737 /nfs/dbraw/zinc/38/87/37/358388737.db2.gz UGMKLFKAHNAOBO-UHFFFAOYSA-N 2 0 226.364 1.487 20 0 BDADRP COCCCC[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000044659218 358392622 /nfs/dbraw/zinc/39/26/22/358392622.db2.gz MZWWXDVKJHYOQT-GHMZBOCLSA-N 2 0 200.326 1.225 20 0 BDADRP CN1CCC[C@@H]1C[N@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000086189488 358444708 /nfs/dbraw/zinc/44/47/08/358444708.db2.gz AHTJBQPOLWHESW-QWHCGFSZSA-N 2 0 225.380 1.012 20 0 BDADRP Cc1ccc([C@@H](C)[NH2+]CCOCC[NH+](C)C)o1 ZINC000219309771 134281200 /nfs/dbraw/zinc/28/12/00/134281200.db2.gz JQBBGRZUQJJVBO-GFCCVEGCSA-N 2 0 240.347 1.817 20 0 BDADRP CC(C)[N@@H+](C)CC1CC[NH+](CC[C@@H](C)O)CC1 ZINC000578217415 366452183 /nfs/dbraw/zinc/45/21/83/366452183.db2.gz QCHZRFOQVGPDOC-CYBMUJFWSA-N 2 0 242.407 1.810 20 0 BDADRP CCOC[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130214300 358615192 /nfs/dbraw/zinc/61/51/92/358615192.db2.gz IWGHKVDEDLWTBD-RWMBFGLXSA-N 2 0 226.364 1.628 20 0 BDADRP CN1CC[C@@H]([NH2+]C[C@H]2CCSC2)C1 ZINC000300234339 358589250 /nfs/dbraw/zinc/58/92/50/358589250.db2.gz UXAKRYXNGAMGHQ-NXEZZACHSA-N 2 0 200.351 1.033 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@H]1CCSC1 ZINC000300231327 358589749 /nfs/dbraw/zinc/58/97/49/358589749.db2.gz GQOMWEAJSGZPQZ-MXWKQRLJSA-N 2 0 214.378 1.551 20 0 BDADRP C[C@H](CC1CC1)[NH2+]C[C@H]1CN(C)CCN1C ZINC000133451223 358755570 /nfs/dbraw/zinc/75/55/70/358755570.db2.gz YWBIBZOOPRFTMB-YPMHNXCESA-N 2 0 225.380 1.010 20 0 BDADRP OC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000132259230 358714179 /nfs/dbraw/zinc/71/41/79/358714179.db2.gz MSQQIOHRKMWSQL-LSDHHAIUSA-N 2 0 248.370 1.179 20 0 BDADRP C[C@H](CCO)[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000132480392 358724073 /nfs/dbraw/zinc/72/40/73/358724073.db2.gz SMIMYGBSKZNCEU-AGIUHOORSA-N 2 0 228.380 1.658 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)CCCO1 ZINC000219866357 134292345 /nfs/dbraw/zinc/29/23/45/134292345.db2.gz FQHQKMIMLCIRPO-NEPJUHHUSA-N 2 0 212.337 1.097 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCO[C@H]2C)CC1 ZINC000134079271 358778938 /nfs/dbraw/zinc/77/89/38/358778938.db2.gz GYDLQLBTWVOPBE-AAEUAGOBSA-N 2 0 226.364 1.626 20 0 BDADRP CC[C@H](CCO)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000134352665 358788006 /nfs/dbraw/zinc/78/80/06/358788006.db2.gz UFAFMRRJUMKLMV-SWHYSGLUSA-N 2 0 234.343 1.882 20 0 BDADRP COCCCC[NH+]1CCC(OCCC[NH3+])CC1 ZINC000135296800 358828697 /nfs/dbraw/zinc/82/86/97/358828697.db2.gz ILTKTYRFNNFCEG-UHFFFAOYSA-N 2 0 244.379 1.243 20 0 BDADRP Cc1ccncc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000135457192 358839230 /nfs/dbraw/zinc/83/92/30/358839230.db2.gz VNVHAIXBSDCNRJ-UHFFFAOYSA-N 2 0 233.359 1.821 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)[C@@H]1CCOC1 ZINC000623430870 358890532 /nfs/dbraw/zinc/89/05/32/358890532.db2.gz JNXAVBGLWHZQGV-YNEHKIRRSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)[C@H]1CCOC1 ZINC000623430867 358890757 /nfs/dbraw/zinc/89/07/57/358890757.db2.gz JNXAVBGLWHZQGV-AVGNSLFASA-N 2 0 240.391 1.874 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCc2ccco2)C1 ZINC000086402770 358966856 /nfs/dbraw/zinc/96/68/56/358966856.db2.gz PFZNHINKZSJQFR-GHMZBOCLSA-N 2 0 208.305 1.682 20 0 BDADRP CC(C)OCCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000086402475 358967133 /nfs/dbraw/zinc/96/71/33/358967133.db2.gz NIWHVBPBRHKTPM-NEPJUHHUSA-N 2 0 214.353 1.661 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCOC2)C1 ZINC000086403375 358967532 /nfs/dbraw/zinc/96/75/32/358967532.db2.gz FXCDOONSAHOQKH-TUAOUCFPSA-N 2 0 212.337 1.273 20 0 BDADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H]([NH3+])C1CC1 ZINC000423313183 192699792 /nfs/dbraw/zinc/69/97/92/192699792.db2.gz FIFFOWYVXDMVJT-TUKIKUTGSA-N 2 0 247.386 1.272 20 0 BDADRP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C1CCCC1 ZINC000070306804 359048362 /nfs/dbraw/zinc/04/83/62/359048362.db2.gz BLAHJVFHMQXHFO-TZMCWYRMSA-N 2 0 240.391 1.611 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000247135741 359196882 /nfs/dbraw/zinc/19/68/82/359196882.db2.gz WTVCMKBDEWHXOA-LPWJVIDDSA-N 2 0 228.380 1.466 20 0 BDADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](COC)C(C)C)C1 ZINC000246858804 359171399 /nfs/dbraw/zinc/17/13/99/359171399.db2.gz CWSZBOKVOFBBDZ-UONOGXRCSA-N 2 0 242.407 1.979 20 0 BDADRP COCCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075835808 359225145 /nfs/dbraw/zinc/22/51/45/359225145.db2.gz FRRUONDCSJGRAI-AWEZNQCLSA-N 2 0 240.391 1.831 20 0 BDADRP COCCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835806 359225371 /nfs/dbraw/zinc/22/53/71/359225371.db2.gz FRRUONDCSJGRAI-CQSZACIVSA-N 2 0 240.391 1.831 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000423378971 192755826 /nfs/dbraw/zinc/75/58/26/192755826.db2.gz LKCZVXVGRMLMCE-FDYHWXHSSA-N 2 0 240.391 1.778 20 0 BDADRP CC[C@@H](O)CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623451328 359345630 /nfs/dbraw/zinc/34/56/30/359345630.db2.gz SZSHGNXFUIHFAT-NWDGAFQWSA-N 2 0 228.380 1.610 20 0 BDADRP Cc1cnccc1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000380692939 359352508 /nfs/dbraw/zinc/35/25/08/359352508.db2.gz JDEVEIIBKABAHK-AAEUAGOBSA-N 2 0 219.332 1.478 20 0 BDADRP COCC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)CCC[NH3+] ZINC000423466705 192782597 /nfs/dbraw/zinc/78/25/97/192782597.db2.gz XIZNPKKVQBTZKW-RWMBFGLXSA-N 2 0 228.380 1.909 20 0 BDADRP CC[NH+]1CCC(C[NH2+]C[C@@H](O)CSC)CC1 ZINC000580435180 359546209 /nfs/dbraw/zinc/54/62/09/359546209.db2.gz OQQWNIYCGYSVMT-GFCCVEGCSA-N 2 0 246.420 1.032 20 0 BDADRP Cc1ncc(C[NH2+]CC[C@H](O)C(C)C)n1C ZINC000580451845 359559767 /nfs/dbraw/zinc/55/97/67/359559767.db2.gz LVQCAJKFAZMVEW-LBPRGKRZSA-N 2 0 225.336 1.225 20 0 BDADRP CCc1noc(C)c1C[NH+]1CCC(C[NH3+])CC1 ZINC000430600715 192880653 /nfs/dbraw/zinc/88/06/53/192880653.db2.gz HYVWIZNIQVVTRQ-UHFFFAOYSA-N 2 0 237.347 1.716 20 0 BDADRP COC[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C1CC1 ZINC000623470273 359770338 /nfs/dbraw/zinc/77/03/38/359770338.db2.gz HBARHLMYAWJOSD-CHWSQXEVSA-N 2 0 240.391 1.874 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)[C@]23C[C@H]2CC[NH2+]3)c1 ZINC000578519478 366587820 /nfs/dbraw/zinc/58/78/20/366587820.db2.gz MYTSSJDOBQUUOF-RISCZKNCSA-N 2 0 245.326 1.144 20 0 BDADRP CC[C@@H](CO)[N@H+](C)CCC[NH+](CC)CC ZINC000451161796 202366917 /nfs/dbraw/zinc/36/69/17/202366917.db2.gz ZYXOYGCRAKQAOH-LBPRGKRZSA-N 2 0 216.369 1.421 20 0 BDADRP CC[NH2+]CC1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000087249328 359904627 /nfs/dbraw/zinc/90/46/27/359904627.db2.gz LDQVEFUWEAVNPK-AWEZNQCLSA-N 2 0 240.391 1.877 20 0 BDADRP c1nc2c(n1CC[N@@H+]1CCCOCC1)CCCC2 ZINC000451201000 202379451 /nfs/dbraw/zinc/37/94/51/202379451.db2.gz ZEYLKYWGRBRDMQ-UHFFFAOYSA-N 2 0 249.358 1.484 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1cccnc1 ZINC000089144641 359992928 /nfs/dbraw/zinc/99/29/28/359992928.db2.gz IKKDIRBXLOCUNF-KBPBESRZSA-N 2 0 233.359 1.731 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCCOCC1CC1 ZINC000089140584 359992980 /nfs/dbraw/zinc/99/29/80/359992980.db2.gz UWTHAWMYKCWFCI-UONOGXRCSA-N 2 0 240.391 1.910 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCCn1ccnc1 ZINC000089140802 359993108 /nfs/dbraw/zinc/99/31/08/359993108.db2.gz UFVNGOHDBHLISQ-QWHCGFSZSA-N 2 0 236.363 1.380 20 0 BDADRP CCc1cnc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)o1 ZINC000578872857 366663120 /nfs/dbraw/zinc/66/31/20/366663120.db2.gz CMJUFGDFYHVSNB-LLVKDONJSA-N 2 0 237.347 1.798 20 0 BDADRP CC(C)C[C@H](CN[C@H]1CCC[C@@H]1C[NH3+])[NH+](C)C ZINC000089147999 359994373 /nfs/dbraw/zinc/99/43/73/359994373.db2.gz OJQAHQHCXQZMPK-MCIONIFRSA-N 2 0 241.423 1.680 20 0 BDADRP CC[C@@H](C)C[NH2+]C[C@H](C)N1CC[NH+](CC)CC1 ZINC000093061755 360213934 /nfs/dbraw/zinc/21/39/34/360213934.db2.gz NGEAPSLNEFSHCA-KGLIPLIRSA-N 2 0 241.423 1.648 20 0 BDADRP CCOCCN(C)CC[C@@H]1CCC[N@@H+]1C ZINC000093316823 360229441 /nfs/dbraw/zinc/22/94/41/360229441.db2.gz XPPDSSUCFZIYQI-LBPRGKRZSA-N 2 0 214.353 1.439 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000631198924 360760852 /nfs/dbraw/zinc/76/08/52/360760852.db2.gz MWFJXJAOOCQSCP-RDBSUJKOSA-N 2 0 240.391 1.754 20 0 BDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]CC1(C)CC1 ZINC000309566101 491151708 /nfs/dbraw/zinc/15/17/08/491151708.db2.gz MEONYPOAVWFQKS-LBPRGKRZSA-N 2 0 225.380 1.012 20 0 BDADRP Cc1ccc(C[NH2+]CC2([NH3+])CCOCC2)cc1 ZINC000629387015 361038685 /nfs/dbraw/zinc/03/86/85/361038685.db2.gz CIARPKLVWINGFN-UHFFFAOYSA-N 2 0 234.343 1.593 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000629387530 361038892 /nfs/dbraw/zinc/03/88/92/361038892.db2.gz FADUVFGJIRCESI-UZGDPCLZSA-N 2 0 237.391 1.342 20 0 BDADRP C[C@H](CC1CC1)[NH2+]CC1([NH3+])CCOCC1 ZINC000629388170 361039845 /nfs/dbraw/zinc/03/98/45/361039845.db2.gz NYZZFPSLDMBOMJ-SNVBAGLBSA-N 2 0 212.337 1.273 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000629392744 361041920 /nfs/dbraw/zinc/04/19/20/361041920.db2.gz SSHSSKSKMIALSO-FRRDWIJNSA-N 2 0 228.380 1.637 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CCCC[C@H]1C ZINC000629392669 361042355 /nfs/dbraw/zinc/04/23/55/361042355.db2.gz RRHBUQBIJHLUGN-VXGBXAGGSA-N 2 0 214.353 1.391 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H]1CC[C@H](C)C1 ZINC000629393231 361042368 /nfs/dbraw/zinc/04/23/68/361042368.db2.gz ZMLKUXFMAHINND-QWRGUYRKSA-N 2 0 200.326 1.001 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H](C)CCC(C)C ZINC000629392811 361042571 /nfs/dbraw/zinc/04/25/71/361042571.db2.gz UGSBKHSPLDLJAL-LBPRGKRZSA-N 2 0 216.369 1.637 20 0 BDADRP CC1(C)CCC([NH2+]CCOCCC[NH3+])CC1 ZINC000629398403 361048744 /nfs/dbraw/zinc/04/87/44/361048744.db2.gz CJMIJUZZBQOSEF-UHFFFAOYSA-N 2 0 228.380 1.910 20 0 BDADRP CCC[C@@H](C)C[NH2+]CCOCCC[NH3+] ZINC000629398282 361049408 /nfs/dbraw/zinc/04/94/08/361049408.db2.gz QIIKZUMHHZCCNE-LLVKDONJSA-N 2 0 202.342 1.378 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000629404126 361049890 /nfs/dbraw/zinc/04/98/90/361049890.db2.gz KALIBZZBMZGTPC-KGLIPLIRSA-N 2 0 240.391 1.781 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CCCC1(C)C ZINC000629404426 361050262 /nfs/dbraw/zinc/05/02/62/361050262.db2.gz MLANTWXJIRZXNY-LLVKDONJSA-N 2 0 214.353 1.391 20 0 BDADRP [NH3+]CCCOCC[NH2+]Cc1cscc1Cl ZINC000629400315 361050702 /nfs/dbraw/zinc/05/07/02/361050702.db2.gz UAEMOEGQIZIHJW-UHFFFAOYSA-N 2 0 248.779 1.857 20 0 BDADRP [NH3+]CCCOCC[NH2+]Cc1coc2ccccc12 ZINC000629399902 361051056 /nfs/dbraw/zinc/05/10/56/361051056.db2.gz LMNBZBNQRSKGHB-UHFFFAOYSA-N 2 0 248.326 1.888 20 0 BDADRP [NH3+]CCCOCC[NH2+]Cc1cccc2c1CCC2 ZINC000629400518 361052026 /nfs/dbraw/zinc/05/20/26/361052026.db2.gz CPAPHBYYJBVVML-UHFFFAOYSA-N 2 0 248.370 1.630 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000629402773 361052299 /nfs/dbraw/zinc/05/22/99/361052299.db2.gz FEGHEDCSLVFKHP-OLZOCXBDSA-N 2 0 244.379 1.016 20 0 BDADRP [NH3+]C1(C[NH2+]C2CCC3(CC3)CC2)CCOCC1 ZINC000629521465 361118132 /nfs/dbraw/zinc/11/81/32/361118132.db2.gz QWVCRCCJIPIKRM-UHFFFAOYSA-N 2 0 238.375 1.807 20 0 BDADRP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)[C@H]1C[C@H]1C ZINC000629518630 361119243 /nfs/dbraw/zinc/11/92/43/361119243.db2.gz AHTZVBBLFKSROC-MXWKQRLJSA-N 2 0 212.337 1.128 20 0 BDADRP CCC(C)(C)[C@@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629519024 361119256 /nfs/dbraw/zinc/11/92/56/361119256.db2.gz DRTYNHRDKUANNB-LLVKDONJSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](Cc2cccnc2N)CC1 ZINC000629510208 361107191 /nfs/dbraw/zinc/10/71/91/361107191.db2.gz AXSRWRXDCYOVJY-JTQLQIEISA-N 2 0 234.347 1.223 20 0 BDADRP CN(CC(=O)NCC(C)(C)C)CC(C)(C)C[NH3+] ZINC000629512581 361107630 /nfs/dbraw/zinc/10/76/30/361107630.db2.gz HSAQCMOGUOCQNJ-UHFFFAOYSA-N 2 0 243.395 1.065 20 0 BDADRP Nc1ncccc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000629520027 361120256 /nfs/dbraw/zinc/12/02/56/361120256.db2.gz SITUCHVSGSTIJY-UHTWSYAYSA-N 2 0 246.358 1.223 20 0 BDADRP CCC[C@@H](C[NH2+][C@H](C)C1C[NH2+]C1)OCC ZINC000629515373 361112138 /nfs/dbraw/zinc/11/21/38/361112138.db2.gz QMQARVYDDHMVED-PWSUYJOCSA-N 2 0 214.353 1.389 20 0 BDADRP CCO[C@H](C[NH2+][C@@](C)(C[NH3+])C1CC1)C1CC1 ZINC000629514466 361112589 /nfs/dbraw/zinc/11/25/89/361112589.db2.gz MCQCTAIOUNLFHH-OLZOCXBDSA-N 2 0 226.364 1.519 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000629517336 361114180 /nfs/dbraw/zinc/11/41/80/361114180.db2.gz LVIWMYIIYNHARK-JHJVBQTASA-N 2 0 238.375 1.818 20 0 BDADRP CCO[C@H](C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C)C1CC1 ZINC000629516726 361115587 /nfs/dbraw/zinc/11/55/87/361115587.db2.gz OHXPUOZJFRUZRW-DMDPSCGWSA-N 2 0 226.364 1.471 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1C[C@H](C)CC[C@H]1C ZINC000629530502 361144386 /nfs/dbraw/zinc/14/43/86/361144386.db2.gz IJIMMHGCSXWKRH-JHJVBQTASA-N 2 0 228.380 1.637 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000629530327 361144670 /nfs/dbraw/zinc/14/46/70/361144670.db2.gz CQBSPJAJOPGZLF-STQMWFEESA-N 2 0 226.364 1.391 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]Cc1cccnc1C ZINC000629531899 361150127 /nfs/dbraw/zinc/15/01/27/361150127.db2.gz CPKVSCKIPCOSIQ-ZDUSSCGKSA-N 2 0 237.347 1.234 20 0 BDADRP CC(C)CC[C@H](CO)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000629524556 361124512 /nfs/dbraw/zinc/12/45/12/361124512.db2.gz SBRALMUVAWLBBX-SDDRHHMPSA-N 2 0 216.369 1.499 20 0 BDADRP CC[C@H]1CCC[C@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629524777 361125859 /nfs/dbraw/zinc/12/58/59/361125859.db2.gz PGRJWZGDGOBNKA-NWDGAFQWSA-N 2 0 226.364 1.663 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C(C1CC1)C1CC1 ZINC000629526278 361127453 /nfs/dbraw/zinc/12/74/53/361127453.db2.gz OSSHGTLNHZPZON-NWDGAFQWSA-N 2 0 208.349 1.905 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@H+](CCCCOC)C1 ZINC000158503727 361200104 /nfs/dbraw/zinc/20/01/04/361200104.db2.gz JXUMOQFWXQUDGE-GFCCVEGCSA-N 2 0 214.353 1.344 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H](CO)c2ccccc2)C1 ZINC000579140602 366723611 /nfs/dbraw/zinc/72/36/11/366723611.db2.gz JSQBLNDEHCLQQS-ZNMIVQPWSA-N 2 0 248.370 1.622 20 0 BDADRP FC1(F)C[C@@H]1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000622043523 370674248 /nfs/dbraw/zinc/67/42/48/370674248.db2.gz CSUOFRQMWCUFPK-GKDVJIACSA-N 2 0 230.302 1.904 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@H]1CCCc2c1cnn2C ZINC000622045575 370680305 /nfs/dbraw/zinc/68/03/05/370680305.db2.gz BPOSBCFFOUFXCS-ONGXEEELSA-N 2 0 222.336 1.124 20 0 BDADRP c1ccc(SCC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000079618528 370681036 /nfs/dbraw/zinc/68/10/36/370681036.db2.gz NHVYVLQDKUXIHZ-CHWSQXEVSA-N 2 0 248.395 1.930 20 0 BDADRP C[NH+](C)[C@@H]1CCC[N@H+](CC[C@H]2CCCO2)CC1 ZINC000429528677 201112088 /nfs/dbraw/zinc/11/20/88/201112088.db2.gz NFCIRHWZMNOEOZ-ZIAGYGMSSA-N 2 0 240.391 1.972 20 0 BDADRP C/C=C\C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000629537072 361399527 /nfs/dbraw/zinc/39/95/27/361399527.db2.gz JOWDTNRQAFLIMI-QXNLEOBOSA-N 2 0 224.348 1.309 20 0 BDADRP COC[C@@H]([NH2+]CCOCCC[NH3+])C1CCCC1 ZINC000629537218 361401021 /nfs/dbraw/zinc/40/10/21/361401021.db2.gz JCHAZPLKWXIUOX-CYBMUJFWSA-N 2 0 244.379 1.147 20 0 BDADRP [NH3+]C1(C[NH2+]CCc2cccnc2)CCC1 ZINC000342156693 181333149 /nfs/dbraw/zinc/33/31/49/181333149.db2.gz KDWWJNKMMOHZRK-UHFFFAOYSA-N 2 0 205.305 1.095 20 0 BDADRP [NH3+]CCCOCC[NH2+][C@H]1CCCc2cccnc21 ZINC000629537947 361402274 /nfs/dbraw/zinc/40/22/74/361402274.db2.gz LVPQKRZSUOYJRL-ZDUSSCGKSA-N 2 0 249.358 1.414 20 0 BDADRP COC1(C[N@H+](C)CCC[NH+](C)C)CCCC1 ZINC000579408093 366776946 /nfs/dbraw/zinc/77/69/46/366776946.db2.gz VIGASEAODBJGKK-UHFFFAOYSA-N 2 0 228.380 1.829 20 0 BDADRP C[C@H]([NH3+])CC(=O)NCC[NH2+]C1CCCCCC1 ZINC000429552814 201114534 /nfs/dbraw/zinc/11/45/34/201114534.db2.gz BVJMIWGRXHHLIG-NSHDSACASA-N 2 0 241.379 1.152 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1N[C@H]1CCCc2occc21 ZINC000629543575 361411728 /nfs/dbraw/zinc/41/17/28/361411728.db2.gz DEOPTLWNEGLJJS-WCQGTBRESA-N 2 0 220.316 1.997 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc[nH]c1=O ZINC000629543408 361412103 /nfs/dbraw/zinc/41/21/03/361412103.db2.gz AQZDDKMYZRBDHT-JTQLQIEISA-N 2 0 223.320 1.394 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1CO ZINC000579461589 366812746 /nfs/dbraw/zinc/81/27/46/366812746.db2.gz JZVYAGKVRPMLGK-DOMZBBRYSA-N 2 0 248.370 1.786 20 0 BDADRP CCO[C@@H](C[N@H+](C)CCC[NH2+]C)C1CC1 ZINC000629540705 361415220 /nfs/dbraw/zinc/41/52/20/361415220.db2.gz SNBQDXBQJXBJLB-LBPRGKRZSA-N 2 0 214.353 1.343 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1CO ZINC000579461592 366813096 /nfs/dbraw/zinc/81/30/96/366813096.db2.gz JZVYAGKVRPMLGK-SWLSCSKDSA-N 2 0 248.370 1.786 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000629547801 361431384 /nfs/dbraw/zinc/43/13/84/361431384.db2.gz UTXCRTYFJALCDB-RYMFRWLXSA-N 2 0 237.391 1.199 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000629547835 361431639 /nfs/dbraw/zinc/43/16/39/361431639.db2.gz VCDHKECESMWSKS-FTYKPCCVSA-N 2 0 208.349 1.905 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000629548137 361431868 /nfs/dbraw/zinc/43/18/68/361431868.db2.gz WZVZBRMYZLHUQT-CLPYTZEMSA-N 2 0 208.349 1.905 20 0 BDADRP CN(CC[NH2+][C@H]1CCCC[C@H]1C[NH3+])CC(F)F ZINC000629556775 361445333 /nfs/dbraw/zinc/44/53/33/361445333.db2.gz YLXRRIYRHZALLA-QWRGUYRKSA-N 2 0 249.349 1.290 20 0 BDADRP C[C@H]([NH2+]CCOCCC[NH3+])c1nccs1 ZINC000629541658 361416468 /nfs/dbraw/zinc/41/64/68/361416468.db2.gz SKIHYUYJFVJZIH-VIFPVBQESA-N 2 0 229.349 1.159 20 0 BDADRP C[C@H]([NH2+]CCOCCC[NH3+])c1cccnc1 ZINC000629541874 361417487 /nfs/dbraw/zinc/41/74/87/361417487.db2.gz SOQGEJCDVWSZNK-NSHDSACASA-N 2 0 223.320 1.098 20 0 BDADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccncc1 ZINC000629541966 361418526 /nfs/dbraw/zinc/41/85/26/361418526.db2.gz VIILJVRNMMNPIO-LLVKDONJSA-N 2 0 223.320 1.098 20 0 BDADRP CC[C@H](C)C[N@H+](C)CCOCC[NH2+]C ZINC000629569357 361461893 /nfs/dbraw/zinc/46/18/93/361461893.db2.gz PVQXONGKHFZIGD-NSHDSACASA-N 2 0 202.342 1.200 20 0 BDADRP CCc1cccc(OCC[N@@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000430951061 201158930 /nfs/dbraw/zinc/15/89/30/201158930.db2.gz KEBGEIALEUHXPM-AWEZNQCLSA-N 2 0 248.370 1.908 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC2=CCCOC2)C1 ZINC000629651819 361557574 /nfs/dbraw/zinc/55/75/74/361557574.db2.gz KSTXVHOUUANYMK-AAEUAGOBSA-N 2 0 224.348 1.392 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC2=CCCOC2)C1 ZINC000629647019 361535570 /nfs/dbraw/zinc/53/55/70/361535570.db2.gz JHNJPXGLFFIOIC-PWSUYJOCSA-N 2 0 210.321 1.002 20 0 BDADRP Cn1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000629655218 361560116 /nfs/dbraw/zinc/56/01/16/361560116.db2.gz UFNHXWLXMNVURE-HUUCEWRRSA-N 2 0 247.386 1.847 20 0 BDADRP Cc1cnccc1CN[C@H](C[NH3+])C1CCCC1 ZINC000629647869 361539760 /nfs/dbraw/zinc/53/97/60/361539760.db2.gz CLRJOWFUGDYPSK-CQSZACIVSA-N 2 0 233.359 1.997 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629660099 361564251 /nfs/dbraw/zinc/56/42/51/361564251.db2.gz NSTSVWMHRQKPMB-WOPDTQHZSA-N 2 0 213.369 1.090 20 0 BDADRP COCc1ccc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)o1 ZINC000629649187 361542964 /nfs/dbraw/zinc/54/29/64/361542964.db2.gz LELHQCYIAUEIPD-GHMZBOCLSA-N 2 0 238.331 1.643 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)CN1 ZINC000629660472 361565498 /nfs/dbraw/zinc/56/54/98/361565498.db2.gz USDZIJYKAIWQLD-XQHKEYJVSA-N 2 0 225.380 1.105 20 0 BDADRP Cn1ccc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)c1 ZINC000629649581 361544522 /nfs/dbraw/zinc/54/45/22/361544522.db2.gz WHUOOQIAKLPLDD-GFCCVEGCSA-N 2 0 221.348 1.503 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)CN1 ZINC000629660469 361566043 /nfs/dbraw/zinc/56/60/43/361566043.db2.gz USDZIJYKAIWQLD-LPWJVIDDSA-N 2 0 225.380 1.105 20 0 BDADRP COC1(C[NH2+][C@@H](C)C[C@H](C)[NH3+])CCCC1 ZINC000629649784 361546591 /nfs/dbraw/zinc/54/65/91/361546591.db2.gz GJVYRGSWOVSOKH-QWRGUYRKSA-N 2 0 214.353 1.661 20 0 BDADRP COCc1ccc(C[NH2+]CCC2(C[NH3+])CC2)o1 ZINC000629650679 361548049 /nfs/dbraw/zinc/54/80/49/361548049.db2.gz YZZZMSCMELSLMY-UHFFFAOYSA-N 2 0 238.331 1.645 20 0 BDADRP Cn1ccc(C[NH+]2CCC(C[NH3+])CC2)c1 ZINC000629652293 361549634 /nfs/dbraw/zinc/54/96/34/361549634.db2.gz YUBCVRSALVRKHG-UHFFFAOYSA-N 2 0 207.321 1.196 20 0 BDADRP Cn1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000629652168 361549885 /nfs/dbraw/zinc/54/98/85/361549885.db2.gz XIPYMGUOWLAXEZ-GJZGRUSLSA-N 2 0 247.386 1.989 20 0 BDADRP CC[C@H]1C[N@H+](Cc2ccn(C)c2)CC[C@H]1[NH3+] ZINC000629652197 361550372 /nfs/dbraw/zinc/55/03/72/361550372.db2.gz XSIAAQMVYWYOBQ-QWHCGFSZSA-N 2 0 221.348 1.584 20 0 BDADRP Cn1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000629652470 361551506 /nfs/dbraw/zinc/55/15/06/361551506.db2.gz BUVIFTIYQYGBGE-OKILXGFUSA-N 2 0 233.359 1.457 20 0 BDADRP COCC[N@H+](C)CCC[NH2+]CC(C)(C)C ZINC000163790729 361577866 /nfs/dbraw/zinc/57/78/66/361577866.db2.gz VAQUITLNMAVUGK-UHFFFAOYSA-N 2 0 216.369 1.590 20 0 BDADRP C[N@H+](CCOCC[NH3+])Cc1cccc2c1NCC2 ZINC000629667213 361588848 /nfs/dbraw/zinc/58/88/48/361588848.db2.gz VUULAYQPKPBBCM-UHFFFAOYSA-N 2 0 249.358 1.062 20 0 BDADRP C[C@H]([NH3+])CCC(=O)NCC1([NH3+])CCCCCC1 ZINC000434681714 201233553 /nfs/dbraw/zinc/23/35/53/201233553.db2.gz RADIIWFASVPMTE-NSHDSACASA-N 2 0 241.379 1.282 20 0 BDADRP COC[C@H](Cc1ccccc1)[N@H+](C)CCC[NH3+] ZINC000435389438 201265311 /nfs/dbraw/zinc/26/53/11/201265311.db2.gz MGEWHLCPLQNTJU-AWEZNQCLSA-N 2 0 236.359 1.525 20 0 BDADRP [NH3+]C1CCC([NH2+]CC[C@H]2CCCCO2)CC1 ZINC000223841938 181341568 /nfs/dbraw/zinc/34/15/68/181341568.db2.gz RNZPOEPHZDJZJP-WXRRBKDZSA-N 2 0 226.364 1.805 20 0 BDADRP [NH3+]C[C@@H](CO)Cc1ccc(C2=CC[NH2+]CC2)cc1 ZINC000629723236 361664670 /nfs/dbraw/zinc/66/46/70/361664670.db2.gz LAJVVHVDYKOWQF-ZDUSSCGKSA-N 2 0 246.354 1.173 20 0 BDADRP C[NH2+]CCCN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000435880919 201291955 /nfs/dbraw/zinc/29/19/55/201291955.db2.gz RHZGQZXJYINOKZ-AWEZNQCLSA-N 2 0 239.407 1.404 20 0 BDADRP c1cc([C@@H]2C[NH2+]CCO2)ccc1C1=CC[NH2+]CC1 ZINC000629722899 361663584 /nfs/dbraw/zinc/66/35/84/361663584.db2.gz GVHIOSZGZUFOTB-HNNXBMFYSA-N 2 0 244.338 1.724 20 0 BDADRP C[NH2+]CCc1ccc(C2=CC[NH2+]CC2)cc1 ZINC000629722925 361663634 /nfs/dbraw/zinc/66/36/34/361663634.db2.gz HYGUBFYRMDFIRC-UHFFFAOYSA-N 2 0 216.328 1.825 20 0 BDADRP C[NH2+]CCC[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000435886284 201296976 /nfs/dbraw/zinc/29/69/76/201296976.db2.gz VMHYTHYUZLXELM-UHFFFAOYSA-N 2 0 222.336 1.199 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000435877769 201292815 /nfs/dbraw/zinc/29/28/15/201292815.db2.gz UXDHUSAJOQDFDB-ZDUSSCGKSA-N 2 0 226.364 1.489 20 0 BDADRP CCO[C@H]1C[C@H]([N@H+](C)CCC[NH2+]C)C1(C)C ZINC000435876917 201293835 /nfs/dbraw/zinc/29/38/35/201293835.db2.gz LOSVMFJMGOLOGQ-RYUDHWBXSA-N 2 0 228.380 1.731 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000435884601 201295124 /nfs/dbraw/zinc/29/51/24/201295124.db2.gz UWZZIUTYTVYDEP-UHFFFAOYSA-N 2 0 247.386 1.808 20 0 BDADRP [NH3+]C1CC[NH+](CCc2cccs2)CC1 ZINC000037483467 181345402 /nfs/dbraw/zinc/34/54/02/181345402.db2.gz YPGPMUOWXNPZCX-UHFFFAOYSA-N 2 0 210.346 1.714 20 0 BDADRP CCOC(C)(C)C[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000437095046 201343802 /nfs/dbraw/zinc/34/38/02/201343802.db2.gz JKDAPOXMBWINIA-DGCLKSJQSA-N 2 0 240.391 1.874 20 0 BDADRP CCN1CCC([NH2+][C@@H](C)C(C)(C)O)CC1 ZINC000083727290 491162805 /nfs/dbraw/zinc/16/28/05/491162805.db2.gz IOFVJJGAHYEWEZ-JTQLQIEISA-N 2 0 214.353 1.220 20 0 BDADRP C[N@H+](CC[C@@H]1CCOC1)C[C@@H]1CCC[NH+](C)C1 ZINC000437589857 201359316 /nfs/dbraw/zinc/35/93/16/201359316.db2.gz LBNRVCKJASMIDI-ZIAGYGMSSA-N 2 0 240.391 1.687 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000438179529 201396207 /nfs/dbraw/zinc/39/62/07/201396207.db2.gz OOPHXZQVVJUYHX-MELADBBJSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(N)=[NH2+] ZINC000630387436 364102176 /nfs/dbraw/zinc/10/21/76/364102176.db2.gz PFNHCASMYODGPN-DGCLKSJQSA-N 2 0 246.358 1.238 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](CO)C2)[C@H]2CCC[C@H]21 ZINC000631670582 364203527 /nfs/dbraw/zinc/20/35/27/364203527.db2.gz BSZCCDXLUBVNHK-XHJNMGKDSA-N 2 0 238.375 1.220 20 0 BDADRP [NH3+]Cc1nccn1C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000630583576 364286004 /nfs/dbraw/zinc/28/60/04/364286004.db2.gz JLOLKISSDSWWAI-XYPYZODXSA-N 2 0 222.336 1.107 20 0 BDADRP C[C@H]1OCC[C@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000133960409 364381278 /nfs/dbraw/zinc/38/12/78/364381278.db2.gz WOHQUHBXFDHEBR-VXGBXAGGSA-N 2 0 212.337 1.239 20 0 BDADRP CC[NH+]1CCC([NH2+]CCOCC2CCC2)CC1 ZINC000579540818 366850799 /nfs/dbraw/zinc/85/07/99/366850799.db2.gz MPJOZRPKDYTHPT-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1C[C@@H]1CCCC[C@@H]1O ZINC000328533582 364868213 /nfs/dbraw/zinc/86/82/13/364868213.db2.gz ZCNUTKSFCHQFGP-NDBYEHHHSA-N 2 0 226.364 1.207 20 0 BDADRP [NH3+]CCCCNC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000302455509 181376300 /nfs/dbraw/zinc/37/63/00/181376300.db2.gz WELIPHIZTRPXNY-LBPRGKRZSA-N 2 0 241.379 1.139 20 0 BDADRP [NH3+]CCCC[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000037714724 181377235 /nfs/dbraw/zinc/37/72/35/181377235.db2.gz TVZCPJQJEWBENG-UHFFFAOYSA-N 2 0 244.342 1.701 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC2(CO)CCCC2)C1 ZINC000168590264 364965080 /nfs/dbraw/zinc/96/50/80/364965080.db2.gz ZCCDMXXTSCRRKS-VXGBXAGGSA-N 2 0 226.364 1.399 20 0 BDADRP C[C@H]([NH3+])CN[C@@H]1CCO[C@@H]1c1ccccc1 ZINC000574519506 365080335 /nfs/dbraw/zinc/08/03/35/365080335.db2.gz OOQPSNWOSGZKHU-CYZMBNFOSA-N 2 0 220.316 1.453 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000574563101 365087495 /nfs/dbraw/zinc/08/74/95/365087495.db2.gz QEHLIVZRRSZRBC-YRGRVCCFSA-N 3 0 239.407 1.304 20 0 BDADRP C[C@@H]1C[C@H]1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000443066964 193012274 /nfs/dbraw/zinc/01/22/74/193012274.db2.gz KMEAYPIKFMLVJT-OLZOCXBDSA-N 2 0 239.407 1.258 20 0 BDADRP CC(C)[C@H](O)C1(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000575071800 365189408 /nfs/dbraw/zinc/18/94/08/365189408.db2.gz HQHTYQKNDDHBSS-UPJWGTAASA-N 2 0 240.391 1.643 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)NC(=O)C[NH+](C)C ZINC000171390078 365196538 /nfs/dbraw/zinc/19/65/38/365196538.db2.gz LLJGNEJPPOBUEF-LBPRGKRZSA-N 2 0 243.395 1.175 20 0 BDADRP CCC(CC)(C[NH3+])C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000444266648 193043148 /nfs/dbraw/zinc/04/31/48/193043148.db2.gz JDAFJYTXYAIWKU-LLVKDONJSA-N 2 0 241.379 1.010 20 0 BDADRP COC[C@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000444589213 193051501 /nfs/dbraw/zinc/05/15/01/193051501.db2.gz AOZJLQLVALZDNP-AWEZNQCLSA-N 2 0 240.391 1.831 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCOCC2)C1 ZINC000379788312 365272080 /nfs/dbraw/zinc/27/20/80/365272080.db2.gz INMXTXIKBVXPLP-IJLUTSLNSA-N 2 0 212.337 1.415 20 0 BDADRP C[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)C1C[NH2+]C1 ZINC000575373026 365302544 /nfs/dbraw/zinc/30/25/44/365302544.db2.gz XIMIKJTWDLLERO-SNVBAGLBSA-N 2 0 248.326 1.155 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CCOC[C@H]1CCCO1 ZINC000575372966 365303384 /nfs/dbraw/zinc/30/33/84/365303384.db2.gz OQZYOGFUEYEIOK-QWHCGFSZSA-N 2 0 244.379 1.289 20 0 BDADRP CC(C)[NH+](CCCNC(=O)C(C)(C)[NH3+])C(C)C ZINC000575865572 365391717 /nfs/dbraw/zinc/39/17/17/365391717.db2.gz IZFPYYZOHWVCIF-UHFFFAOYSA-N 2 0 243.395 1.349 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCOCC2CCC2)CC[N@@H+]1C ZINC000576203765 365520843 /nfs/dbraw/zinc/52/08/43/365520843.db2.gz QKTZEQDOXVQSFT-GXTWGEPZSA-N 2 0 240.391 1.875 20 0 BDADRP CC1(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)CC1 ZINC000576209784 365523224 /nfs/dbraw/zinc/52/32/24/365523224.db2.gz SFOUHMGSZSODBV-LBPRGKRZSA-N 2 0 249.362 1.174 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000579595310 366898651 /nfs/dbraw/zinc/89/86/51/366898651.db2.gz TZDYOZCRFOUSCF-YFKTTZPYSA-N 2 0 241.379 1.136 20 0 BDADRP CC(C)C[C@H]([NH3+])c1noc([C@H]2CC[NH2+][C@H]2C)n1 ZINC000580892163 367199328 /nfs/dbraw/zinc/19/93/28/367199328.db2.gz DLKDVOKWFFLODB-GUBZILKMSA-N 2 0 238.335 1.581 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000581132211 367272119 /nfs/dbraw/zinc/27/21/19/367272119.db2.gz DGGZHVPVMOWURG-DOMZBBRYSA-N 3 0 247.386 1.575 20 0 BDADRP C[C@@H]1[C@H](C)OCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000380534393 367230150 /nfs/dbraw/zinc/23/01/50/367230150.db2.gz MXDOHBTWURBMOE-AGIUHOORSA-N 2 0 226.364 1.485 20 0 BDADRP c1ccc2c(c1)CC([NH2+]CCC[NH2+]C1CC1)C2 ZINC000382531758 367533628 /nfs/dbraw/zinc/53/36/28/367533628.db2.gz IQWCNWCPVMAJEU-UHFFFAOYSA-N 2 0 230.355 1.886 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC000383114518 367597798 /nfs/dbraw/zinc/59/77/98/367597798.db2.gz ATFRMYOXTQQSGA-ZJUUUORDSA-N 2 0 218.291 1.891 20 0 BDADRP C[C@H](C[NH3+])N(C)C(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000581606629 367630461 /nfs/dbraw/zinc/63/04/61/367630461.db2.gz WPMOKASKPWKRIO-ZJUUUORDSA-N 2 0 235.331 1.126 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)CN(C)C(C)C ZINC000383271734 367609540 /nfs/dbraw/zinc/60/95/40/367609540.db2.gz JQRFRSZRTODEKA-CHWSQXEVSA-N 2 0 245.411 1.059 20 0 BDADRP CCCC[N@H+](C)CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000581618012 367637804 /nfs/dbraw/zinc/63/78/04/367637804.db2.gz NCALMWHPFIDRAE-STQMWFEESA-N 2 0 227.396 1.578 20 0 BDADRP C[C@@H]1CCC[C@@H]1C[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000383613674 367644548 /nfs/dbraw/zinc/64/45/48/367644548.db2.gz TVXPOSGGZDYREU-BZPMIXESSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@@H]1CCC[C@H]1C[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000383613676 367645009 /nfs/dbraw/zinc/64/50/09/367645009.db2.gz TVXPOSGGZDYREU-DYEKYZERSA-N 2 0 240.391 1.467 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(O)c1 ZINC000383635164 367646888 /nfs/dbraw/zinc/64/68/88/367646888.db2.gz AIQHEYSUTMGFEA-JSGCOSHPSA-N 2 0 234.343 1.999 20 0 BDADRP CCN(C)C[C@@H](O)C[N@H+](CC)C1CCCCC1 ZINC000383517583 367631940 /nfs/dbraw/zinc/63/19/40/367631940.db2.gz HSFQIPRQCKMHDS-CQSZACIVSA-N 2 0 242.407 1.954 20 0 BDADRP Cn1cncc1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000384584826 367702939 /nfs/dbraw/zinc/70/29/39/367702939.db2.gz UFGROKVLHAQAJL-ZYHUDNBSSA-N 2 0 222.336 1.027 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cccc(O)c1 ZINC000383990672 367666752 /nfs/dbraw/zinc/66/67/52/367666752.db2.gz USPPZTPGSIEOHJ-LLVKDONJSA-N 2 0 222.332 1.999 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCSC2)C1 ZINC000384040308 367669137 /nfs/dbraw/zinc/66/91/37/367669137.db2.gz FVHFYZXOKPLYSP-TUAOUCFPSA-N 2 0 228.405 1.989 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000384279109 367682116 /nfs/dbraw/zinc/68/21/16/367682116.db2.gz AZNDCPASFFCDJR-AGIUHOORSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000384776880 367729787 /nfs/dbraw/zinc/72/97/87/367729787.db2.gz VRGJBJFVBKPAMN-WOPDTQHZSA-N 2 0 214.353 1.255 20 0 BDADRP C[C@H](C[NH2+][C@@H]1C[C@H](C)O[C@H]1C)C[NH+](C)C ZINC000384864986 367745567 /nfs/dbraw/zinc/74/55/67/367745567.db2.gz FCJXJHJRQQVEBL-NOOOWODRSA-N 2 0 214.353 1.340 20 0 BDADRP C[N@H+](CCC(=O)Nc1ccccc1)C1CC([NH3+])C1 ZINC000384865773 367746672 /nfs/dbraw/zinc/74/66/72/367746672.db2.gz FFZRYTVBRVQKFI-UHFFFAOYSA-N 2 0 247.342 1.437 20 0 BDADRP CC[NH2+]CCC[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000566088220 325992327 /nfs/dbraw/zinc/99/23/27/325992327.db2.gz LUPCMLRFXMDDNQ-GMTAPVOTSA-N 2 0 200.326 1.142 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H]2C[C@@H](C)O[C@@H]2C)C1 ZINC000384962695 367766134 /nfs/dbraw/zinc/76/61/34/367766134.db2.gz SIFVIQTYQHNOGB-SYQHCUMBSA-N 2 0 240.391 1.872 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)CC(C)(C)O ZINC000385056938 367779946 /nfs/dbraw/zinc/77/99/46/367779946.db2.gz UEAFOIINFCMTRS-QWRGUYRKSA-N 2 0 216.369 1.643 20 0 BDADRP C[C@H](CC(C)(C)O)[NH2+][C@@H](C)CCCC[NH3+] ZINC000385056939 367779973 /nfs/dbraw/zinc/77/99/73/367779973.db2.gz UEAFOIINFCMTRS-WDEREUQCSA-N 2 0 216.369 1.643 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@H](C)O1 ZINC000385141540 367800749 /nfs/dbraw/zinc/80/07/49/367800749.db2.gz MCMYBBJUXQJKEO-CCJXIVEXSA-N 2 0 238.375 1.767 20 0 BDADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)[C@@H](C)O)CC1 ZINC000566115138 325997565 /nfs/dbraw/zinc/99/75/65/325997565.db2.gz HLKOETGAPANKTD-NWDGAFQWSA-N 2 0 228.380 1.467 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCSCC[C@H]1C ZINC000385409385 367826185 /nfs/dbraw/zinc/82/61/85/367826185.db2.gz SWXFYMYJPRANSO-NEPJUHHUSA-N 2 0 246.420 1.126 20 0 BDADRP C[C@H](NC[C@H]1CCC[N@H+](C)C1)[C@H]1CCCC[NH2+]1 ZINC000385983824 367892595 /nfs/dbraw/zinc/89/25/95/367892595.db2.gz IFGYKDRFNMDHLQ-BFHYXJOUSA-N 2 0 239.407 1.448 20 0 BDADRP CC[N@@H+]1CC[C@H](CN[C@@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000386027235 367900127 /nfs/dbraw/zinc/90/01/27/367900127.db2.gz QAVVDMFQRATZKP-MJBXVCDLSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H](NCCC[NH+]1CCCC1)[C@@H]1CCCC[NH2+]1 ZINC000386032794 367900695 /nfs/dbraw/zinc/90/06/95/367900695.db2.gz RBVPGQZAQCBAGJ-KBPBESRZSA-N 2 0 239.407 1.593 20 0 BDADRP CO[C@H](C)CC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386542700 367989268 /nfs/dbraw/zinc/98/92/68/367989268.db2.gz DTAFXKHOWHGAQH-WOPDTQHZSA-N 2 0 214.353 1.532 20 0 BDADRP C[C@H]([NH2+]CCCC[NH+](C)C)[C@H]1CCCC[NH2+]1 ZINC000386576025 367994840 /nfs/dbraw/zinc/99/48/40/367994840.db2.gz NFGZCINXFITQNT-QWHCGFSZSA-N 3 0 227.396 1.448 20 0 BDADRP C[C@@H]([NH2+]CCCCCO)[C@@H]1CCCC[NH2+]1 ZINC000386580821 367996714 /nfs/dbraw/zinc/99/67/14/367996714.db2.gz OSOPVGPUDPUDOY-NEPJUHHUSA-N 2 0 214.353 1.269 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386451806 367975675 /nfs/dbraw/zinc/97/56/75/367975675.db2.gz OBZUTOYEMXCVDE-ZIAGYGMSSA-N 2 0 241.423 1.837 20 0 BDADRP C[C@@H](NCC[NH+]1CCCC1)[C@@H]1CCCC[NH2+]1 ZINC000386464873 367978620 /nfs/dbraw/zinc/97/86/20/367978620.db2.gz PTCIWSKHQGTLSP-OLZOCXBDSA-N 2 0 225.380 1.202 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCCOC1)[C@H]1CCCC[NH2+]1 ZINC000386504055 367981500 /nfs/dbraw/zinc/98/15/00/367981500.db2.gz WDKOPOCBQHBDJH-YNEHKIRRSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]([NH2+]CCC[NH2+]C1CC1)[C@@H]1CCCOC1 ZINC000386936726 368037132 /nfs/dbraw/zinc/03/71/32/368037132.db2.gz PYXCDODTEZEBTM-VXGBXAGGSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H](C[NH3+])CNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000441615188 201559020 /nfs/dbraw/zinc/55/90/20/201559020.db2.gz SOBXYLNRSMSYIS-MDZLAQPJSA-N 2 0 249.358 1.034 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@H]3CCCCO3)C[C@H]21 ZINC000252878067 368165317 /nfs/dbraw/zinc/16/53/17/368165317.db2.gz WYZDQOHANGRXNG-AAVRWANBSA-N 2 0 238.375 1.615 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+](C)Cc2nccs2)CC[NH2+]1 ZINC000387300633 368144659 /nfs/dbraw/zinc/14/46/59/368144659.db2.gz NIJPGSMRTAFDJL-GHMZBOCLSA-N 2 0 239.388 1.963 20 0 BDADRP Cc1n[nH]c(C)c1C[NH+]1CCC(CC[NH3+])CC1 ZINC000076683441 368242713 /nfs/dbraw/zinc/24/27/13/368242713.db2.gz OINZEWWQNDNARX-UHFFFAOYSA-N 2 0 236.363 1.587 20 0 BDADRP C[C@H](C[N@H+](C)CCOCC[NH3+])C(C)(C)C ZINC000399731356 368529616 /nfs/dbraw/zinc/52/96/16/368529616.db2.gz LZCUJKPBRMDLJY-LLVKDONJSA-N 2 0 216.369 1.576 20 0 BDADRP CC(C)COCCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000086402406 368880116 /nfs/dbraw/zinc/88/01/16/368880116.db2.gz WLONOFSUKCPRSY-STQMWFEESA-N 2 0 228.380 1.909 20 0 BDADRP CC(C)[N@H+](C)CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000086404011 368880188 /nfs/dbraw/zinc/88/01/88/368880188.db2.gz FVRSWMCZNYKKQA-RYUDHWBXSA-N 2 0 213.369 1.186 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCCOCC2CC2)C1 ZINC000086402435 368880246 /nfs/dbraw/zinc/88/02/46/368880246.db2.gz SYKHXYBZILOQOR-CHWSQXEVSA-N 2 0 226.364 1.663 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC2CCOCC2)C1 ZINC000086404234 368881448 /nfs/dbraw/zinc/88/14/48/368881448.db2.gz JYLUWAJBZNVSSS-NEPJUHHUSA-N 2 0 212.337 1.273 20 0 BDADRP c1ccc(CC[NH2+]CC2CC[NH2+]CC2)nc1 ZINC000086700194 368884139 /nfs/dbraw/zinc/88/41/39/368884139.db2.gz BKJGHBQWQDZSFM-UHFFFAOYSA-N 2 0 219.332 1.213 20 0 BDADRP CCn1cccc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000091127555 369005708 /nfs/dbraw/zinc/00/57/08/369005708.db2.gz GWIWDLQYIPIOKR-CYBMUJFWSA-N 2 0 235.375 1.939 20 0 BDADRP C[N@@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCOC2)C1 ZINC000623655774 368990961 /nfs/dbraw/zinc/99/09/61/368990961.db2.gz FCVCHOGWKOABFT-NWDGAFQWSA-N 2 0 212.337 1.097 20 0 BDADRP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cc[nH]c2)C1 ZINC000623655863 368991009 /nfs/dbraw/zinc/99/10/09/368991009.db2.gz HTHXUFDHGVGVBO-CYBMUJFWSA-N 2 0 221.348 1.836 20 0 BDADRP Cc1ncc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000459735039 203347632 /nfs/dbraw/zinc/34/76/32/203347632.db2.gz PJOZRMXAQZCXPP-CYBMUJFWSA-N 2 0 248.374 1.607 20 0 BDADRP C[C@@H]1COCC[C@H]1[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459779857 203365665 /nfs/dbraw/zinc/36/56/65/203365665.db2.gz LPVDOCLZKRNAAV-HZSPNIEDSA-N 2 0 240.391 1.733 20 0 BDADRP COC1CC([NH2+]CC[C@H]2CCC[N@H+](C)C2)C1 ZINC000459795387 203373256 /nfs/dbraw/zinc/37/32/56/203373256.db2.gz VFATZFBTAQGHHJ-PNESKVBLSA-N 2 0 226.364 1.485 20 0 BDADRP CCOC1CC([NH2+]CC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000459791757 203371487 /nfs/dbraw/zinc/37/14/87/203371487.db2.gz RVXWTYINDBNFGW-HSBZDZAISA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]([NH2+]C[C@@H](C1CC1)N(C)C)[C@H]1CCOC1 ZINC000166219253 203387058 /nfs/dbraw/zinc/38/70/58/203387058.db2.gz UCDZBGWVSQTCPX-DRZSPHRISA-N 2 0 226.364 1.341 20 0 BDADRP CSCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250959324 369622940 /nfs/dbraw/zinc/62/29/40/369622940.db2.gz UDCNLRBJXQEVKE-QWRGUYRKSA-N 2 0 214.378 1.566 20 0 BDADRP CC1(F)CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000631867419 370229534 /nfs/dbraw/zinc/22/95/34/370229534.db2.gz UFMVPOQWBNDOFF-LLVKDONJSA-N 2 0 242.338 1.331 20 0 BDADRP CC(C)(CC[NH3+])NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621665112 370418353 /nfs/dbraw/zinc/41/83/53/370418353.db2.gz QSVDIUKFRSQLLT-NSHDSACASA-N 2 0 241.379 1.010 20 0 BDADRP CCn1cc(CCN2CCC[C@@H]2C[NH2+]C)cn1 ZINC000621773808 370519119 /nfs/dbraw/zinc/51/91/19/370519119.db2.gz CHSIILJIQMDTOH-CYBMUJFWSA-N 2 0 236.363 1.129 20 0 BDADRP CCn1cc(CC[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cn1 ZINC000621775223 370521059 /nfs/dbraw/zinc/52/10/59/370521059.db2.gz IVMVTYVVQCDKJE-YPMHNXCESA-N 2 0 236.363 1.115 20 0 BDADRP CCn1nccc1CC[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000621774666 370521496 /nfs/dbraw/zinc/52/14/96/370521496.db2.gz ZWJULQJOVJFNLR-DGCLKSJQSA-N 2 0 236.363 1.115 20 0 BDADRP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccn1 ZINC000621774948 370521726 /nfs/dbraw/zinc/52/17/26/370521726.db2.gz BAISFNJJKZPYQI-ZNMIVQPWSA-N 2 0 245.370 1.949 20 0 BDADRP Cc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)ccn1 ZINC000621776586 370525715 /nfs/dbraw/zinc/52/57/15/370525715.db2.gz PQFDCLPQCZJVGG-BXUZGUMPSA-N 2 0 233.359 1.807 20 0 BDADRP [NH3+][C@]12CCC[C@@H]1CN(Cc1ccccn1)C2 ZINC000621781667 370530388 /nfs/dbraw/zinc/53/03/88/370530388.db2.gz HPBUCGGWOUIDEE-YPMHNXCESA-N 2 0 217.316 1.395 20 0 BDADRP [NH3+][C@]12CCC[C@@H]1C[N@H+](CC[C@@H]1CCCO1)C2 ZINC000621784122 370535266 /nfs/dbraw/zinc/53/52/66/370535266.db2.gz KHLZEESPXFLSRY-AGIUHOORSA-N 2 0 224.348 1.369 20 0 BDADRP c1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc2c1CCC2 ZINC000078838127 370607059 /nfs/dbraw/zinc/60/70/59/370607059.db2.gz QZQJWKFBYUWLTD-HOTGVXAUSA-N 2 0 242.366 1.827 20 0 BDADRP CC1(C)COC[C@@H]1[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000313012538 370562085 /nfs/dbraw/zinc/56/20/85/370562085.db2.gz BDAIFBALGGYUHV-MXWKQRLJSA-N 2 0 212.337 1.271 20 0 BDADRP C[N@@H+]1CC[C@@H](NCc2ccc[nH]c2=O)CC1(C)C ZINC000623777512 371089085 /nfs/dbraw/zinc/08/90/85/371089085.db2.gz IHLFSERNPKCFMJ-GFCCVEGCSA-N 2 0 249.358 1.750 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc[nH]c2=O)CN1C1CC1 ZINC000623777948 371089400 /nfs/dbraw/zinc/08/94/00/371089400.db2.gz YGAMIDPUOIYWGR-CMPLNLGQSA-N 2 0 247.342 1.502 20 0 BDADRP C[C@@H]1OCC[C@@H]1CN1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631890872 371095533 /nfs/dbraw/zinc/09/55/33/371095533.db2.gz UFEXHDAMKQVRMW-FQUUOJAGSA-N 2 0 238.375 1.485 20 0 BDADRP C[C@@H]([NH2+]CCCC[NH+](C)C)[C@H]1CCCCO1 ZINC000623878432 371138602 /nfs/dbraw/zinc/13/86/02/371138602.db2.gz HXMVHSBXQNFNSP-CHWSQXEVSA-N 2 0 228.380 1.875 20 0 BDADRP C[C@H](C[NH2+]Cc1ccc(=O)[nH]c1)N(C)C1CC1 ZINC000631063098 371234417 /nfs/dbraw/zinc/23/44/17/371234417.db2.gz AWZMXMSTJOWAMN-SNVBAGLBSA-N 2 0 235.331 1.360 20 0 BDADRP C[C@@H](C[NH2+]Cc1ccc(=O)[nH]c1)N(C)C1CC1 ZINC000631063097 371234860 /nfs/dbraw/zinc/23/48/60/371234860.db2.gz AWZMXMSTJOWAMN-JTQLQIEISA-N 2 0 235.331 1.360 20 0 BDADRP COC[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)C1CC1 ZINC000624121569 371322589 /nfs/dbraw/zinc/32/25/89/371322589.db2.gz YCDAOMTVHCDZAJ-TZMCWYRMSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)[C@H]1CCCO1 ZINC000624122411 371323084 /nfs/dbraw/zinc/32/30/84/371323084.db2.gz QQXBFASUGHHXRZ-MELADBBJSA-N 2 0 240.391 1.875 20 0 BDADRP C[N@@H+]1CCCC[C@@H](C[NH2+][C@@H]2COC(C)(C)C2)C1 ZINC000624124142 371325166 /nfs/dbraw/zinc/32/51/66/371325166.db2.gz YHYMGVRBLXJBCG-STQMWFEESA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H](CCC(C)(C)C)[NH2+]CCN1CC[C@@H](O)C1 ZINC000624231005 371419074 /nfs/dbraw/zinc/41/90/74/371419074.db2.gz NCNHXDNZVPZFGW-CHWSQXEVSA-N 2 0 242.407 1.857 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000624309735 371473415 /nfs/dbraw/zinc/47/34/15/371473415.db2.gz WBQHUEFPGDIOBM-ZDEQEGDKSA-N 2 0 226.364 1.484 20 0 BDADRP Cc1ncc(C[NH2+][C@@H]2CCCn3nccc32)n1C ZINC000631298731 372283804 /nfs/dbraw/zinc/28/38/04/372283804.db2.gz OMACLJXVVDHLHH-GFCCVEGCSA-N 2 0 245.330 1.550 20 0 BDADRP CCC[N@H+](C[C@@H]1CCO[C@@H]1C)C1CC[NH2+]CC1 ZINC000631822845 372600989 /nfs/dbraw/zinc/60/09/89/372600989.db2.gz QANSYYXTBHQSML-OLZOCXBDSA-N 2 0 240.391 1.875 20 0 BDADRP CC1([NH3+])CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000631824817 372603676 /nfs/dbraw/zinc/60/36/76/372603676.db2.gz QXXZMIOIDLLNMI-NSHDSACASA-N 2 0 212.337 1.369 20 0 BDADRP Cc1nccnc1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000631820462 372593640 /nfs/dbraw/zinc/59/36/40/372593640.db2.gz AONLGSMEGHPAII-SNVBAGLBSA-N 2 0 234.347 1.344 20 0 BDADRP [NH3+]C1CC[NH+](Cc2cccc3c2CCOC3)CC1 ZINC000631821400 372595884 /nfs/dbraw/zinc/59/58/84/372595884.db2.gz WUEZIBIRAUTGFR-UHFFFAOYSA-N 2 0 246.354 1.682 20 0 BDADRP CCC(CC)C[NH+]1CCC([NH2+]CCO)CC1 ZINC000631861724 372663470 /nfs/dbraw/zinc/66/34/70/372663470.db2.gz HWFAVKKUNBUVHF-UHFFFAOYSA-N 2 0 228.380 1.469 20 0 BDADRP OCC[NH2+]C1CC[NH+](CCC2CCC2)CC1 ZINC000631862831 372665375 /nfs/dbraw/zinc/66/53/75/372665375.db2.gz UIQYZQXAXKOICP-UHFFFAOYSA-N 2 0 226.364 1.223 20 0 BDADRP CC(C)(C)CCC[NH+]1CCC([NH2+]CCO)CC1 ZINC000631863379 372666494 /nfs/dbraw/zinc/66/64/94/372666494.db2.gz VPSPVVBMWHVSOH-UHFFFAOYSA-N 2 0 242.407 1.859 20 0 BDADRP FC(F)[C@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000631866182 372666736 /nfs/dbraw/zinc/66/67/36/372666736.db2.gz UWQPDUWVMNFGTL-WDEREUQCSA-N 2 0 248.317 1.342 20 0 BDADRP CC1(F)CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000631866869 372667704 /nfs/dbraw/zinc/66/77/04/372667704.db2.gz BCQDIHPESPWGMS-LLVKDONJSA-N 2 0 214.328 1.810 20 0 BDADRP C([C@H]1CCCCO1)[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631890096 372686260 /nfs/dbraw/zinc/68/62/60/372686260.db2.gz MCWNEHULHGQGNZ-MJBXVCDLSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@H]1CCC[C@H]([NH2+]CCCN2CC[NH2+]CC2)C1 ZINC000414775388 205770821 /nfs/dbraw/zinc/77/08/21/205770821.db2.gz CKWNQWVLCPUOQJ-KBPBESRZSA-N 2 0 239.407 1.450 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOC)C[C@H]1C ZINC000336643132 170019001 /nfs/dbraw/zinc/01/90/01/170019001.db2.gz BPPLEZYZHOLHCR-NEPJUHHUSA-N 2 0 214.353 1.437 20 0 BDADRP [NH3+]C1(c2noc([C@@H](F)[C@H]3CC[NH2+]C3)n2)CCC1 ZINC000634556026 374314362 /nfs/dbraw/zinc/31/43/62/374314362.db2.gz CHGBLUHUFCSHRQ-YUMQZZPRSA-N 2 0 240.282 1.028 20 0 BDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NCCC[NH3+])C1 ZINC000437795881 206073726 /nfs/dbraw/zinc/07/37/26/206073726.db2.gz HHWPYKFTMNOIPF-HIFRSBDPSA-N 2 0 247.386 1.760 20 0 BDADRP CC(C)[N@H+](CCc1cncn1C)[C@H]1CCOC1 ZINC000459500637 206132220 /nfs/dbraw/zinc/13/22/20/206132220.db2.gz NARMVWOOYOOLSE-ZDUSSCGKSA-N 2 0 237.347 1.462 20 0 BDADRP OC[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccccc1 ZINC000094010470 183107760 /nfs/dbraw/zinc/10/77/60/183107760.db2.gz VYXURQGAMYAANQ-CQSZACIVSA-N 2 0 234.343 1.309 20 0 BDADRP OC[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000129244892 183140996 /nfs/dbraw/zinc/14/09/96/183140996.db2.gz RQXAORMLXYMKRV-KGLIPLIRSA-N 2 0 234.343 1.452 20 0 BDADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC[C@H](C)O)C1 ZINC000336701862 169078732 /nfs/dbraw/zinc/07/87/32/169078732.db2.gz JYTVYSSVAOGTKD-KBPBESRZSA-N 2 0 242.407 1.811 20 0 BDADRP CCCN(CC)CC[NH2+][C@H](C)CCC[NH3+] ZINC000308893494 169123822 /nfs/dbraw/zinc/12/38/22/169123822.db2.gz YRVXUDCPJYNOSZ-GFCCVEGCSA-N 2 0 215.385 1.435 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)N[C@H]1C[NH+](C)C[C@@H]1C ZINC000353073198 169128534 /nfs/dbraw/zinc/12/85/34/169128534.db2.gz ORMHYOQULKTYON-IHRRRGAJSA-N 2 0 241.423 1.647 20 0 BDADRP Oc1ccc(CC[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000129176571 183269213 /nfs/dbraw/zinc/26/92/13/183269213.db2.gz FTQXKGUHWRWZRR-CYBMUJFWSA-N 2 0 234.343 1.666 20 0 BDADRP CCCN(CCC[NH3+])CC[NH+](CC)CC ZINC000036731883 169156005 /nfs/dbraw/zinc/15/60/05/169156005.db2.gz QGTMGKAKLUOBSZ-UHFFFAOYSA-N 2 0 215.385 1.389 20 0 BDADRP CCC[NH+]1CCC(N2CCC[NH2+]CC2)CC1 ZINC000038086861 169186431 /nfs/dbraw/zinc/18/64/31/169186431.db2.gz MCKYBJUTBMZXMN-UHFFFAOYSA-N 2 0 225.380 1.156 20 0 BDADRP CCC[NH+]1CCC([NH2+]CC2(CC)COC2)CC1 ZINC000353692236 169188492 /nfs/dbraw/zinc/18/84/92/169188492.db2.gz XDNJBEMSRHDIIA-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H](CO)CC(C)C)CC1 ZINC000040773327 169189857 /nfs/dbraw/zinc/18/98/57/169189857.db2.gz JXYCWYVHFJOCPG-AWEZNQCLSA-N 2 0 242.407 1.857 20 0 BDADRP c1c[nH]c([C@@H]2CCC[N@@H+](C[C@H]3CCCO3)C2)n1 ZINC000335445901 183327177 /nfs/dbraw/zinc/32/71/77/183327177.db2.gz LPOBNDLOEUPPFN-VXGBXAGGSA-N 2 0 235.331 1.768 20 0 BDADRP CCCN1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000019516483 169202820 /nfs/dbraw/zinc/20/28/20/169202820.db2.gz CAHXKJZLGGNRRA-UHFFFAOYSA-N 2 0 225.380 1.014 20 0 BDADRP CCC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000374429011 169205726 /nfs/dbraw/zinc/20/57/26/169205726.db2.gz NNFCPVMWZSBNDK-RWMBFGLXSA-N 2 0 226.364 1.580 20 0 BDADRP c1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)ccn1 ZINC000041214237 183350508 /nfs/dbraw/zinc/35/05/08/183350508.db2.gz CEXALGMWZGVETG-LBPRGKRZSA-N 2 0 205.305 1.171 20 0 BDADRP CCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000363256496 169210489 /nfs/dbraw/zinc/21/04/89/169210489.db2.gz LGGQIRCURAUPAC-FRRDWIJNSA-N 2 0 208.349 1.813 20 0 BDADRP c1ccc(CCC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107580105 183392178 /nfs/dbraw/zinc/39/21/78/183392178.db2.gz BSHIDQXRMQJSCA-GASCZTMLSA-N 2 0 230.355 1.770 20 0 BDADRP c1ccc(CC[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000010435489 183393914 /nfs/dbraw/zinc/39/39/14/183393914.db2.gz MDCCQEUAMUUKPA-UHFFFAOYSA-N 2 0 218.344 1.818 20 0 BDADRP c1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)nc1 ZINC000082546184 183397145 /nfs/dbraw/zinc/39/71/45/183397145.db2.gz ANQFXPHCUZQSRM-UHFFFAOYSA-N 2 0 231.343 1.657 20 0 BDADRP CCC[C@@H]([NH3+])C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000040831332 169389842 /nfs/dbraw/zinc/38/98/42/169389842.db2.gz MHNMVVKCUUSUKV-NWDGAFQWSA-N 2 0 243.395 1.206 20 0 BDADRP CCC[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)CC(C)C ZINC000037825191 169388427 /nfs/dbraw/zinc/38/84/27/169388427.db2.gz LSBZJIIBSLCBFU-GFCCVEGCSA-N 2 0 243.395 1.160 20 0 BDADRP CCC[C@@H]([NH3+])C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000236785734 169391913 /nfs/dbraw/zinc/39/19/13/169391913.db2.gz IWFKIMLDJZCUTD-GFCCVEGCSA-N 2 0 235.331 1.472 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC(C)(C)CCCO)CC[N@@H+]1C ZINC000221588453 134325594 /nfs/dbraw/zinc/32/55/94/134325594.db2.gz VBXRCEXIOIQSHG-QWHCGFSZSA-N 2 0 242.407 1.857 20 0 BDADRP CO[C@@H](C)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000182063008 134341357 /nfs/dbraw/zinc/34/13/57/134341357.db2.gz IWOGLEGJZJQABP-ZDUSSCGKSA-N 2 0 240.391 1.829 20 0 BDADRP CC[NH+]1CCC([NH2+]CC(C)(C)CCCO)CC1 ZINC000223811384 134342846 /nfs/dbraw/zinc/34/28/46/134342846.db2.gz FTHOIQDHHZQQNJ-UHFFFAOYSA-N 2 0 242.407 1.859 20 0 BDADRP COC(=O)CCC[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000226466851 134363711 /nfs/dbraw/zinc/36/37/11/134363711.db2.gz GLYAZBQYOWDDCS-NSHDSACASA-N 2 0 228.336 1.014 20 0 BDADRP CO[C@H](C[NH2+]C[C@H](C)C[NH+]1CCCC1)C1CC1 ZINC000400190173 383867450 /nfs/dbraw/zinc/86/74/50/383867450.db2.gz WCYXKMYEFKYLKA-GXTWGEPZSA-N 2 0 240.391 1.733 20 0 BDADRP COC[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC000347795099 383875570 /nfs/dbraw/zinc/87/55/70/383875570.db2.gz ZSDLWABDJDLXAN-KBPBESRZSA-N 2 0 240.391 1.875 20 0 BDADRP CN1CC[NH+](CCCC[NH2+]CC2(C)CC2)CC1 ZINC000518463113 383912865 /nfs/dbraw/zinc/91/28/65/383912865.db2.gz PPDDNHNHONBEBX-UHFFFAOYSA-N 2 0 239.407 1.404 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@@H]2COCC2(C)C)CC1 ZINC000313133194 383920679 /nfs/dbraw/zinc/92/06/79/383920679.db2.gz ZUOVZTCFFYNPCH-CYBMUJFWSA-N 2 0 240.391 1.874 20 0 BDADRP CC[C@H](O)[C@H](CC)[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000313131323 383923842 /nfs/dbraw/zinc/92/38/42/383923842.db2.gz CAKGOTJRCRKNKN-RNJOBUHISA-N 2 0 228.380 1.608 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1c1nc([C@H]2CCC[NH2+]2)no1 ZINC000647148676 383897177 /nfs/dbraw/zinc/89/71/77/383897177.db2.gz UZQRUMXIRKZQNT-KXUCPTDWSA-N 2 0 236.319 1.350 20 0 BDADRP C[C@@H](CCCCO)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000643541908 383941701 /nfs/dbraw/zinc/94/17/01/383941701.db2.gz PNFBDJXBWJKEAB-STQMWFEESA-N 2 0 228.380 1.659 20 0 BDADRP [NH3+]CC12CCC(CC1)CN2CC[C@H]1CC[NH2+]C1 ZINC000518562302 384019235 /nfs/dbraw/zinc/01/92/35/384019235.db2.gz FIVJQOOIVOLPDR-IYXRBSQSSA-N 3 0 237.391 1.189 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[NH2+]C2)C1 ZINC000643545435 384007857 /nfs/dbraw/zinc/00/78/57/384007857.db2.gz UCILWVBNVLATRL-RWMBFGLXSA-N 2 0 226.364 1.676 20 0 BDADRP Cc1n[nH]cc1[C@H](C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000643545527 384009237 /nfs/dbraw/zinc/00/92/37/384009237.db2.gz RPAMLOOEJIVNQL-JTQLQIEISA-N 2 0 234.347 1.679 20 0 BDADRP C[C@H](N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000643547390 384033441 /nfs/dbraw/zinc/03/34/41/384033441.db2.gz DRJBCCQSILELPE-XQQFMLRXSA-N 2 0 237.391 1.391 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000569458666 384065909 /nfs/dbraw/zinc/06/59/09/384065909.db2.gz GQYARGMVSQQATI-YNEHKIRRSA-N 3 0 225.380 1.045 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000394103404 384100807 /nfs/dbraw/zinc/10/08/07/384100807.db2.gz WLPPEHDXZWXZBM-FRRDWIJNSA-N 2 0 228.380 1.358 20 0 BDADRP C[C@H](C[NH2+]Cc1ccn(C)c1)C[NH+]1CCCC1 ZINC000091008855 384092939 /nfs/dbraw/zinc/09/29/39/384092939.db2.gz ZXYKGAWZNWRMFP-CYBMUJFWSA-N 2 0 235.375 1.847 20 0 BDADRP C[C@@H](C[NH2+]Cc1ccn(C)c1)C[NH+]1CCCC1 ZINC000091008848 384093232 /nfs/dbraw/zinc/09/32/32/384093232.db2.gz ZXYKGAWZNWRMFP-ZDUSSCGKSA-N 2 0 235.375 1.847 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CO1 ZINC000401847503 384122948 /nfs/dbraw/zinc/12/29/48/384122948.db2.gz BLUXDAQOEVPXJV-VOAKCMCISA-N 2 0 224.348 1.380 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000222960098 384150948 /nfs/dbraw/zinc/15/09/48/384150948.db2.gz FICWTUPZLYAVQX-UTUOFQBUSA-N 2 0 222.336 1.131 20 0 BDADRP CC[C@H]([NH2+]CCc1cn(C)cn1)C(C)C ZINC000313253566 384163682 /nfs/dbraw/zinc/16/36/82/384163682.db2.gz NKZMYNCMDILTCS-LBPRGKRZSA-N 2 0 209.337 1.987 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000305287235 384165215 /nfs/dbraw/zinc/16/52/15/384165215.db2.gz DBNPCGQTBCZYEG-RFQIPJPRSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccno2)CC1 ZINC000082475039 384231762 /nfs/dbraw/zinc/23/17/62/384231762.db2.gz ICUULSSGUKNGKR-SECBINFHSA-N 2 0 209.293 1.234 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000082474637 384232005 /nfs/dbraw/zinc/23/20/05/384232005.db2.gz SNBGEDUISMYCSL-GHMZBOCLSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@@]1(C[NH3+])CC[N@H+](Cc2cccs2)C1 ZINC000235440239 384232746 /nfs/dbraw/zinc/23/27/46/384232746.db2.gz QSRYSYUDWDPYKY-NSHDSACASA-N 2 0 210.346 1.919 20 0 BDADRP Cn1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000093088880 384209182 /nfs/dbraw/zinc/20/91/82/384209182.db2.gz BIAWCXGLUPVHLD-UHFFFAOYSA-N 2 0 235.375 1.799 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCOCC(F)F ZINC000236201256 384240485 /nfs/dbraw/zinc/24/04/85/384240485.db2.gz SZGDAVAXPMSASG-ZJUUUORDSA-N 2 0 236.306 1.375 20 0 BDADRP CO[C@H](C[NH2+]Cc1cnc(C)n1C)CC(C)C ZINC000564471231 384240521 /nfs/dbraw/zinc/24/05/21/384240521.db2.gz ODBGIYHIJWUGDK-ZDUSSCGKSA-N 2 0 239.363 1.879 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](CC[C@@H]2CCCO2)C[C@@H]1C[NH3+] ZINC000397476080 384253052 /nfs/dbraw/zinc/25/30/52/384253052.db2.gz GWVQDZBLSHILBK-RFGFWPKPSA-N 2 0 240.391 1.861 20 0 BDADRP CCOCC[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000082645427 384253146 /nfs/dbraw/zinc/25/31/46/384253146.db2.gz UQTCOSXEPWFCFC-MNOVXSKESA-N 2 0 200.326 1.082 20 0 BDADRP CCC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000133560962 384253260 /nfs/dbraw/zinc/25/32/60/384253260.db2.gz VJLQTRDDUNBMOP-UTUOFQBUSA-N 2 0 214.353 1.220 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCc3cccnc3)C[C@H]21 ZINC000228472012 384257295 /nfs/dbraw/zinc/25/72/95/384257295.db2.gz ZEBXEIIFILXLPY-RBSFLKMASA-N 2 0 245.370 1.683 20 0 BDADRP CCC[C@H](C)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313340149 384269538 /nfs/dbraw/zinc/26/95/38/384269538.db2.gz LPYMHHAPDHKGQF-RYUDHWBXSA-N 2 0 214.353 1.472 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC[C@@H]3CCCO3)C[C@H]21 ZINC000228547490 384275038 /nfs/dbraw/zinc/27/50/38/384275038.db2.gz ODVDMYXIPXTOQR-XJFOESAGSA-N 2 0 238.375 1.615 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@@](C)(O)CC)CC1 ZINC000083462288 384305570 /nfs/dbraw/zinc/30/55/70/384305570.db2.gz NCOANGWXHQGNDW-LBPRGKRZSA-N 2 0 214.353 1.221 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](CC2CCOCC2)C1 ZINC000173903219 384284557 /nfs/dbraw/zinc/28/45/57/384284557.db2.gz GVLWVAGJDOGKSV-AWEZNQCLSA-N 2 0 240.391 1.687 20 0 BDADRP C[N@H+](CCCCCO)CCCn1ccnc1 ZINC000119745678 384298878 /nfs/dbraw/zinc/29/88/78/384298878.db2.gz RNDFAECUKOYSAD-UHFFFAOYSA-N 2 0 225.336 1.368 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1CCCOCC1 ZINC000083425557 384303690 /nfs/dbraw/zinc/30/36/90/384303690.db2.gz KDSGSYRXOVCKML-RYUDHWBXSA-N 2 0 214.353 1.485 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOC)[C@H](C)C1 ZINC000174782304 384365717 /nfs/dbraw/zinc/36/57/17/384365717.db2.gz JAWICQBOHYXGHG-NEPJUHHUSA-N 2 0 214.353 1.295 20 0 BDADRP FCCCCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000308829317 384329234 /nfs/dbraw/zinc/32/92/34/384329234.db2.gz IXJVEZKPHYLQNQ-VXGBXAGGSA-N 2 0 214.328 1.810 20 0 BDADRP CCC(C)(C)[C@@H](C)[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000556453768 384392042 /nfs/dbraw/zinc/39/20/42/384392042.db2.gz CLDZQYWLURAICC-YPMHNXCESA-N 2 0 228.380 1.467 20 0 BDADRP CCOCC[NH2+]C1CC[NH+](CC)CC1 ZINC000035151265 384401031 /nfs/dbraw/zinc/40/10/31/384401031.db2.gz HAUPJSJOOFQTNL-UHFFFAOYSA-N 2 0 200.326 1.097 20 0 BDADRP Cc1cccc([C@H](C)[NH+]2CCC(O)(C[NH3+])CC2)c1 ZINC000335626477 384402714 /nfs/dbraw/zinc/40/27/14/384402714.db2.gz QRALBKUKYZRLDH-ZDUSSCGKSA-N 2 0 248.370 1.842 20 0 BDADRP C[C@@H]1NCCC[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000335642712 384417991 /nfs/dbraw/zinc/41/79/91/384417991.db2.gz HLFDFWLLHDNUDV-XHDPSFHLSA-N 2 0 230.355 1.884 20 0 BDADRP CN(Cc1cccnc1)[C@@H](C[NH3+])C1CC1 ZINC000036884032 384460783 /nfs/dbraw/zinc/46/07/83/384460783.db2.gz TUYDQWKCIBVXDE-LBPRGKRZSA-N 2 0 205.305 1.251 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)c1 ZINC000648180253 384462924 /nfs/dbraw/zinc/46/29/24/384462924.db2.gz MBAWZSVQZKTFBO-RTXFEEFZSA-N 2 0 245.326 1.143 20 0 BDADRP C[NH+](C)CCC[NH2+][C@H]1CCCC12CCOCC2 ZINC000306000511 384467032 /nfs/dbraw/zinc/46/70/32/384467032.db2.gz KTFXUTJNSNYFBT-ZDUSSCGKSA-N 2 0 240.391 1.877 20 0 BDADRP CC[NH+](CC)[C@H](CNC(=O)C[NH3+])c1ccccc1 ZINC000019479104 384524426 /nfs/dbraw/zinc/52/44/26/384524426.db2.gz CBWMGSRCBWCMAF-CYBMUJFWSA-N 2 0 249.358 1.144 20 0 BDADRP CC(C)n1nccc1C[NH2+]CCCC[NH+](C)C ZINC000354206480 384556134 /nfs/dbraw/zinc/55/61/34/384556134.db2.gz CPNYSBWJRMTMSU-UHFFFAOYSA-N 2 0 238.379 1.895 20 0 BDADRP CC(C)(C)C[N@H+](CCO)CC[C@H]1CC[NH2+]C1 ZINC000643057862 384563271 /nfs/dbraw/zinc/56/32/71/384563271.db2.gz NHNUBSXAMRFYGD-GFCCVEGCSA-N 2 0 228.380 1.326 20 0 BDADRP C[C@H]([NH3+])CCC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000248840875 384559488 /nfs/dbraw/zinc/55/94/88/384559488.db2.gz GAKRBRAGHFQPSR-SDDRHHMPSA-N 2 0 241.379 1.103 20 0 BDADRP c1cc([C@H]2CCC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)n[nH]1 ZINC000643057147 384559644 /nfs/dbraw/zinc/55/96/44/384559644.db2.gz GELYJWPMOGAQDH-OLZOCXBDSA-N 2 0 248.374 1.589 20 0 BDADRP OCCC[N@H+](CC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000643057849 384561655 /nfs/dbraw/zinc/56/16/55/384561655.db2.gz LGWTUIWNRRJNNE-LBPRGKRZSA-N 2 0 226.364 1.223 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCCO1)[C@@H]1CCC[NH2+]1 ZINC000400622113 384538484 /nfs/dbraw/zinc/53/84/84/384538484.db2.gz JRLRORFDHSTJDT-TUAOUCFPSA-N 2 0 212.337 1.286 20 0 BDADRP C[C@@H]([NH2+][C@H](CO)C1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000517918876 384571783 /nfs/dbraw/zinc/57/17/83/384571783.db2.gz WJIYVESVBJGYLT-KWCYVHTRSA-N 2 0 240.391 1.658 20 0 BDADRP COC[C@H](C)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000123724089 384577805 /nfs/dbraw/zinc/57/78/05/384577805.db2.gz ANHUKBAJSMKGDS-LBPRGKRZSA-N 2 0 236.359 1.873 20 0 BDADRP COC[C@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000643058178 384565560 /nfs/dbraw/zinc/56/55/60/384565560.db2.gz KIKJZCAZLHLRQB-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP Cc1cccc(CC[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)n1 ZINC000423085695 384565589 /nfs/dbraw/zinc/56/55/89/384565589.db2.gz LFDWMKZLRQDSCJ-SWLSCSKDSA-N 2 0 247.386 1.910 20 0 BDADRP Cc1cccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000423089381 384565678 /nfs/dbraw/zinc/56/56/78/384565678.db2.gz VABARGURIACSIQ-YIONKMFJSA-N 2 0 245.370 1.805 20 0 BDADRP Cc1cccc(CC[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)n1 ZINC000423085696 384566528 /nfs/dbraw/zinc/56/65/28/384566528.db2.gz LFDWMKZLRQDSCJ-WFASDCNBSA-N 2 0 247.386 1.910 20 0 BDADRP CC(C)C[C@H](C)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000300837277 384596643 /nfs/dbraw/zinc/59/66/43/384596643.db2.gz CTLKADREZREWTE-RWMBFGLXSA-N 2 0 210.365 1.820 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000647534574 384646290 /nfs/dbraw/zinc/64/62/90/384646290.db2.gz QTDQJLLARJKGMS-AVGNSLFASA-N 2 0 225.380 1.044 20 0 BDADRP C[N@H+](CCOCC[NH3+])CCc1cccs1 ZINC000086442226 384650971 /nfs/dbraw/zinc/65/09/71/384650971.db2.gz PVAFBJRWEGARLW-UHFFFAOYSA-N 2 0 228.361 1.198 20 0 BDADRP CCC1(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)COC1 ZINC000309835254 384652887 /nfs/dbraw/zinc/65/28/87/384652887.db2.gz AYCXUZQNRRQXDM-VXGBXAGGSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1NCc1ccc2c[nH]nc2c1 ZINC000518131195 384724393 /nfs/dbraw/zinc/72/43/93/384724393.db2.gz VVAGMTSNVCYYKE-YGRLFVJLSA-N 2 0 244.342 1.651 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CCC(C)(F)F ZINC000357725045 384681615 /nfs/dbraw/zinc/68/16/15/384681615.db2.gz BOEWQPXFLMRGGY-SECBINFHSA-N 2 0 224.295 1.375 20 0 BDADRP C[C@H](O)CCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300362995 384696882 /nfs/dbraw/zinc/69/68/82/384696882.db2.gz DHJZECHXPNMWAW-AVGNSLFASA-N 2 0 226.364 1.364 20 0 BDADRP COC(C)(C)[C@H](C)[NH2+]CCCC[NH+](C)C ZINC000300919291 384712274 /nfs/dbraw/zinc/71/22/74/384712274.db2.gz DSFHDERBMPRADM-NSHDSACASA-N 2 0 216.369 1.731 20 0 BDADRP c1nc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)co1 ZINC000647544004 384716987 /nfs/dbraw/zinc/71/69/87/384716987.db2.gz VJQODPSQXJMBDM-STQMWFEESA-N 2 0 249.358 1.886 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300413370 384776143 /nfs/dbraw/zinc/77/61/43/384776143.db2.gz BFEBXNJHRLCPOD-IHRRRGAJSA-N 2 0 240.391 1.611 20 0 BDADRP Nc1ncc(C[NH2+]CCC[C@H]2CCC[NH2+]2)s1 ZINC000647547174 384736359 /nfs/dbraw/zinc/73/63/59/384736359.db2.gz PWRBXNGXEABWGF-VIFPVBQESA-N 2 0 240.376 1.177 20 0 BDADRP Cc1ccc(NC(=O)[C@H](C)C[NH3+])c(C)n1 ZINC000087151925 384742654 /nfs/dbraw/zinc/74/26/54/384742654.db2.gz GUHFEXNCIQFCPZ-SSDOTTSWSA-N 2 0 207.277 1.232 20 0 BDADRP CC[NH+](CC)CCOCC[NH2+]C[C@@H]1C[C@H]1C ZINC000309958864 384745202 /nfs/dbraw/zinc/74/52/02/384745202.db2.gz KAJMOVIBIILAEP-OLZOCXBDSA-N 2 0 228.380 1.590 20 0 BDADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(N)nc2)C[C@@H]1C[NH3+] ZINC000647552183 384758074 /nfs/dbraw/zinc/75/80/74/384758074.db2.gz KUTVMDKFYZJYQG-WZRBSPASSA-N 2 0 248.374 1.299 20 0 BDADRP COC[C@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000053172044 384767354 /nfs/dbraw/zinc/76/73/54/384767354.db2.gz BTDLLDDZCVDMKU-JTQLQIEISA-N 2 0 202.342 1.199 20 0 BDADRP C(C[C@@H]1CCOC1)[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000647553584 384769233 /nfs/dbraw/zinc/76/92/33/384769233.db2.gz DHZILZVEUXDHKZ-OLZOCXBDSA-N 2 0 238.375 1.677 20 0 BDADRP C[C@H]1CC2(C[N@@H+]1CC(C)(C)[NH3+])CCOCC2 ZINC000647553208 384769689 /nfs/dbraw/zinc/76/96/89/384769689.db2.gz IXLKMDGTGAFVDI-NSHDSACASA-N 2 0 226.364 1.615 20 0 BDADRP CC(C)[C@H](O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000335571628 384772653 /nfs/dbraw/zinc/77/26/53/384772653.db2.gz QHHDVLIENWCSOO-OLZOCXBDSA-N 2 0 226.364 1.031 20 0 BDADRP C[C@@H](C[NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000054343553 384832938 /nfs/dbraw/zinc/83/29/38/384832938.db2.gz PBWRUOYZBIZNOU-AAEUAGOBSA-N 2 0 249.358 1.000 20 0 BDADRP C[C@@H](C[NH2+][C@@H](C)Cn1cccn1)C[NH+](C)C ZINC000309730268 384782124 /nfs/dbraw/zinc/78/21/24/384782124.db2.gz FEVQDKNWEZNRMK-RYUDHWBXSA-N 2 0 224.352 1.059 20 0 BDADRP C[C@H]([NH2+][C@H]1CCCSC1)[C@H]1CCC[NH2+]1 ZINC000306577042 384782650 /nfs/dbraw/zinc/78/26/50/384782650.db2.gz KYAVVZFGFCDWJD-GARJFASQSA-N 2 0 214.378 1.612 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[NH2+]CCCOC(C)C ZINC000107786169 384784834 /nfs/dbraw/zinc/78/48/34/384784834.db2.gz GSTSYTBCRJPRMR-GFCCVEGCSA-N 2 0 216.369 1.765 20 0 BDADRP C[N@@H+](Cc1cccnc1)CC1CC[NH+](C)CC1 ZINC000104083794 384796264 /nfs/dbraw/zinc/79/62/64/384796264.db2.gz ASQVKVOMONHXDF-UHFFFAOYSA-N 2 0 233.359 1.855 20 0 BDADRP CN(CCC(F)(F)F)[C@@H](C[NH3+])C1CC1 ZINC000126751620 384800502 /nfs/dbraw/zinc/80/05/02/384800502.db2.gz YWKLJYDAUOWNQI-QMMMGPOBSA-N 2 0 210.243 1.608 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+]C[C@@H]1CC[C@@H](C)O1 ZINC000398102159 384802761 /nfs/dbraw/zinc/80/27/61/384802761.db2.gz XUVKQNNEPAYJPZ-WOPDTQHZSA-N 2 0 214.353 1.517 20 0 BDADRP CC[C@H](COC)[NH2+]C[C@@H]1CCCN1CCOC ZINC000163436144 384805471 /nfs/dbraw/zinc/80/54/71/384805471.db2.gz XNKAITWQJVLJNI-OLZOCXBDSA-N 2 0 244.379 1.112 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](CO)CC1 ZINC000339754707 384880826 /nfs/dbraw/zinc/88/08/26/384880826.db2.gz UYMZUKKINSODCI-AWEZNQCLSA-N 2 0 242.407 1.813 20 0 BDADRP COCCC[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000423389237 384853118 /nfs/dbraw/zinc/85/31/18/384853118.db2.gz ODIAJXXWABMVJB-TUAOUCFPSA-N 2 0 214.353 1.661 20 0 BDADRP CC1(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CCOCC1 ZINC000233028982 259659397 /nfs/dbraw/zinc/65/93/97/259659397.db2.gz QMQXUEVACWXPQZ-NEPJUHHUSA-N 2 0 226.364 1.663 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCC[C@@H]2[NH3+])C1 ZINC000259005211 384955980 /nfs/dbraw/zinc/95/59/80/384955980.db2.gz NJFJIADWZYUQDD-AGIUHOORSA-N 2 0 225.380 1.188 20 0 BDADRP C[N@H+](CCCC(C)(C)C)C[C@@H](O)C[NH3+] ZINC000308668448 384908971 /nfs/dbraw/zinc/90/89/71/384908971.db2.gz UKDWDXAQWUKQIU-JTQLQIEISA-N 2 0 202.342 1.064 20 0 BDADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[NH3+])c1cccnc1 ZINC000259221226 384959500 /nfs/dbraw/zinc/95/95/00/384959500.db2.gz XOLHKZZQMZULET-CHWSQXEVSA-N 2 0 233.359 1.829 20 0 BDADRP CC[C@@H](O)C[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000644522462 384925670 /nfs/dbraw/zinc/92/56/70/384925670.db2.gz AOZBHASZZYPTNX-CQSZACIVSA-N 2 0 242.407 1.859 20 0 BDADRP C[C@@H](O)C[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000644522507 384926641 /nfs/dbraw/zinc/92/66/41/384926641.db2.gz JUUJXEJQHSKVIN-HZSPNIEDSA-N 2 0 242.407 1.715 20 0 BDADRP C[N@@H+](Cc1ccc2ccccc2c1)C[C@@H](O)C[NH3+] ZINC000258887471 384942987 /nfs/dbraw/zinc/94/29/87/384942987.db2.gz GVQZOZIXLUEFPY-HNNXBMFYSA-N 2 0 244.338 1.591 20 0 BDADRP C[N@@H+](Cc1ccc2ccccc2c1)C[C@H](O)C[NH3+] ZINC000258887474 384944693 /nfs/dbraw/zinc/94/46/93/384944693.db2.gz GVQZOZIXLUEFPY-OAHLLOKOSA-N 2 0 244.338 1.591 20 0 BDADRP c1ccc(COCC[NH2+]C2CC[NH2+]CC2)cc1 ZINC000307363188 384990911 /nfs/dbraw/zinc/99/09/11/384990911.db2.gz HJLFRWSXDSQUQK-UHFFFAOYSA-N 2 0 234.343 1.545 20 0 BDADRP CC[NH2+]CC1CC[NH+](Cc2ccns2)CC1 ZINC000404454234 385000189 /nfs/dbraw/zinc/00/01/89/385000189.db2.gz UDBKCNKAWLCEBQ-UHFFFAOYSA-N 2 0 239.388 1.965 20 0 BDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000226396999 385008392 /nfs/dbraw/zinc/00/83/92/385008392.db2.gz UKCBVXYRCAVIJW-GHMZBOCLSA-N 2 0 243.395 1.206 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(C)C ZINC000310367242 385008824 /nfs/dbraw/zinc/00/88/24/385008824.db2.gz WNBJQRLDPRZVHT-MGPQQGTHSA-N 2 0 240.391 1.874 20 0 BDADRP CCSCC[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000130010289 385016066 /nfs/dbraw/zinc/01/60/66/385016066.db2.gz QSMNEHRKMKLQJO-LLVKDONJSA-N 2 0 216.394 1.800 20 0 BDADRP OC1(C[NH2+][C@H]2CCn3ccnc3C2)CCCC1 ZINC000644626212 385020594 /nfs/dbraw/zinc/02/05/94/385020594.db2.gz ZGGBFARPRTZEGU-NSHDSACASA-N 2 0 235.331 1.093 20 0 BDADRP C[C@H](N)[C@@H]1CCCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000359224923 385073593 /nfs/dbraw/zinc/07/35/93/385073593.db2.gz UDRCTXBJRDTOOB-JSGCOSHPSA-N 2 0 239.407 1.578 20 0 BDADRP CO[C@H](C[NH2+]C1CC[NH+](C(C)C)CC1)C1CC1 ZINC000340487054 385074468 /nfs/dbraw/zinc/07/44/68/385074468.db2.gz LFKLZRMEEVWBHQ-CQSZACIVSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CO1 ZINC000647207131 385043362 /nfs/dbraw/zinc/04/33/62/385043362.db2.gz YONQOYXFZBSXFI-WCQYABFASA-N 2 0 238.375 1.628 20 0 BDADRP CC(C)C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000020200316 385187143 /nfs/dbraw/zinc/18/71/43/385187143.db2.gz OHAGVDLPMKYZQR-UHFFFAOYSA-N 2 0 227.396 1.258 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000422721371 385201840 /nfs/dbraw/zinc/20/18/40/385201840.db2.gz VFMIKSSCTOOWSD-AVGNSLFASA-N 2 0 227.396 1.304 20 0 BDADRP CC(C)[N@H+](C)CC(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000178188626 385196597 /nfs/dbraw/zinc/19/65/97/385196597.db2.gz MOCLOGRJADEXRD-NSHDSACASA-N 2 0 249.358 1.985 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CCCOC)C1 ZINC000178185837 385198587 /nfs/dbraw/zinc/19/85/87/385198587.db2.gz ZSHZKVCJLAFNML-QWHCGFSZSA-N 2 0 228.380 1.733 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccncc1 ZINC000336686439 385145809 /nfs/dbraw/zinc/14/58/09/385145809.db2.gz LBCHCCWMWBTGDV-NSHDSACASA-N 2 0 207.321 1.689 20 0 BDADRP OCCCCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000157341765 385149871 /nfs/dbraw/zinc/14/98/71/385149871.db2.gz MKDYMCIWWDBMPI-AWEZNQCLSA-N 2 0 240.391 1.567 20 0 BDADRP OC1(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000342810207 385168715 /nfs/dbraw/zinc/16/87/15/385168715.db2.gz PGYOZXJGQZOJOC-QWHCGFSZSA-N 2 0 238.375 1.508 20 0 BDADRP C[C@H]([NH2+]C1CCSCC1)[C@@H]1CCC[NH2+]1 ZINC000306712921 385173949 /nfs/dbraw/zinc/17/39/49/385173949.db2.gz AEKTYWMBTLLEHD-ONGXEEELSA-N 2 0 214.378 1.612 20 0 BDADRP C[C@H](N)[C@@H]1CCCC[N@@H+]1CC1CCOCC1 ZINC000063192053 385215349 /nfs/dbraw/zinc/21/53/49/385215349.db2.gz DEROHIDIZJMDOM-AAEUAGOBSA-N 2 0 226.364 1.615 20 0 BDADRP CC[C@@H]([NH3+])C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000036871221 385230394 /nfs/dbraw/zinc/23/03/94/385230394.db2.gz WIPHJFHVYZLBHR-NWDGAFQWSA-N 2 0 241.379 1.104 20 0 BDADRP CCCCOCC[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000045107870 385246847 /nfs/dbraw/zinc/24/68/47/385246847.db2.gz JDFQWRCPTCOMSZ-NEPJUHHUSA-N 2 0 214.353 1.472 20 0 BDADRP [NH3+][C@@H]1C[C@@H](N[C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000333344634 385251298 /nfs/dbraw/zinc/25/12/98/385251298.db2.gz YXWXOGOOMSBLPT-OASPWFOLSA-N 2 0 217.316 1.083 20 0 BDADRP C[NH+]1CCC(O)(C[NH2+]CC(C)(C)C)CC1 ZINC000308966892 385319007 /nfs/dbraw/zinc/31/90/07/385319007.db2.gz WJDJADPRBQNNSE-UHFFFAOYSA-N 2 0 214.353 1.079 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]C1CCSCC1 ZINC000220690685 385262167 /nfs/dbraw/zinc/26/21/67/385262167.db2.gz DHNAFYYILJJUMF-MWLCHTKSSA-N 2 0 214.378 1.599 20 0 BDADRP CC[C@H]1CN(CCC[NH2+]C)C[C@@H](C)O1 ZINC000308909557 385284610 /nfs/dbraw/zinc/28/46/10/385284610.db2.gz SADKHUIBZZELBQ-MNOVXSKESA-N 2 0 200.326 1.095 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)[C@@H]2[NH2+]CC2(C)C)c1 ZINC000647096217 385287436 /nfs/dbraw/zinc/28/74/36/385287436.db2.gz DCYGWTONITXYPM-LBPRGKRZSA-N 2 0 247.342 1.390 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)[C@H]2[NH2+]CC2(C)C)c1 ZINC000647096216 385287525 /nfs/dbraw/zinc/28/75/25/385287525.db2.gz DCYGWTONITXYPM-GFCCVEGCSA-N 2 0 247.342 1.390 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCOC1)C[NH+](C)C ZINC000308925286 385296851 /nfs/dbraw/zinc/29/68/51/385296851.db2.gz PYIILOZQSVLNAV-GRYCIOLGSA-N 2 0 214.353 1.199 20 0 BDADRP CC(C)(O)CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157897373 385301490 /nfs/dbraw/zinc/30/14/90/385301490.db2.gz XGXUYAWSZFAZRK-VXGBXAGGSA-N 2 0 226.364 1.364 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCCCCO)CC[N@@H+]1C ZINC000158101140 385346857 /nfs/dbraw/zinc/34/68/57/385346857.db2.gz BUQQEEWUMNJXES-NWDGAFQWSA-N 2 0 214.353 1.221 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@H](C)c1cccc(O)c1 ZINC000309004598 385364249 /nfs/dbraw/zinc/36/42/49/385364249.db2.gz TVBVJBRYFYLFDJ-NXEZZACHSA-N 2 0 208.305 1.638 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCCO ZINC000179149399 385368778 /nfs/dbraw/zinc/36/87/78/385368778.db2.gz FOFKWJUHVFXLEF-UTUOFQBUSA-N 2 0 214.353 1.077 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCOCC1CC1 ZINC000309020493 385374597 /nfs/dbraw/zinc/37/45/97/385374597.db2.gz UIVHNGSRSKVHDC-LLVKDONJSA-N 2 0 214.353 1.520 20 0 BDADRP COC1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CCC1 ZINC000180194295 385384596 /nfs/dbraw/zinc/38/45/96/385384596.db2.gz DENKZZUOTMJVRW-NWDGAFQWSA-N 2 0 226.364 1.628 20 0 BDADRP COCCC[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000178752680 385327749 /nfs/dbraw/zinc/32/77/49/385327749.db2.gz UTWDKDKFGMVQTB-GFCCVEGCSA-N 2 0 228.380 1.733 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000309056747 385394407 /nfs/dbraw/zinc/39/44/07/385394407.db2.gz SZAYZEKUDWZWLH-UTUOFQBUSA-N 2 0 214.353 1.484 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCCO ZINC000179149436 385444503 /nfs/dbraw/zinc/44/45/03/385444503.db2.gz FOFKWJUHVFXLEF-GRYCIOLGSA-N 2 0 214.353 1.077 20 0 BDADRP C[C@@H]1C[C@H]1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000309141593 385433198 /nfs/dbraw/zinc/43/31/98/385433198.db2.gz TYPJUCIIGDKYEH-WOPDTQHZSA-N 2 0 208.349 1.716 20 0 BDADRP CO[C@@H](C)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000182193807 385433595 /nfs/dbraw/zinc/43/35/95/385433595.db2.gz MGQNXKAREBZZKD-STQMWFEESA-N 2 0 228.380 1.828 20 0 BDADRP C([C@@H]1CCSC1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000390751579 385469031 /nfs/dbraw/zinc/46/90/31/385469031.db2.gz DESQKYRYEYVDLJ-RWMBFGLXSA-N 2 0 240.416 1.671 20 0 BDADRP C([C@@H]1CCCCO1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257705477 385490740 /nfs/dbraw/zinc/49/07/40/385490740.db2.gz RCVVBISYTBQCNZ-STQMWFEESA-N 2 0 224.348 1.241 20 0 BDADRP CCOc1cccc(C[NH2+]C[C@H](C)C[NH3+])c1 ZINC000309422071 385576305 /nfs/dbraw/zinc/57/63/05/385576305.db2.gz YEHCMUPGCJDXBY-LLVKDONJSA-N 2 0 222.332 1.770 20 0 BDADRP COC1(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)CCCC1 ZINC000319171259 385553309 /nfs/dbraw/zinc/55/33/09/385553309.db2.gz LVVZTFISURXVSW-OLZOCXBDSA-N 2 0 238.375 1.629 20 0 BDADRP COC[C@H]([NH2+]CCn1ccnc1)c1ccccc1 ZINC000181659497 385592218 /nfs/dbraw/zinc/59/22/18/385592218.db2.gz UXAXGPUDDKSAQI-AWEZNQCLSA-N 2 0 245.326 1.860 20 0 BDADRP Fc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000647789592 385619481 /nfs/dbraw/zinc/61/94/81/385619481.db2.gz HWZJSVGVSYOARE-DMDPSCGWSA-N 2 0 249.333 1.698 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)CC[NH+](C)C ZINC000336680179 385629105 /nfs/dbraw/zinc/62/91/05/385629105.db2.gz GJKPQUHDWUSXSH-QWRGUYRKSA-N 3 0 201.358 1.044 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCCOC1 ZINC000336681023 385632309 /nfs/dbraw/zinc/63/23/09/385632309.db2.gz HFAFSBDXZMVRMR-QWRGUYRKSA-N 2 0 200.326 1.273 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+][C@H](C)CCCC[NH3+] ZINC000336681943 385635996 /nfs/dbraw/zinc/63/59/96/385635996.db2.gz YHMHPZDAXPWGGR-DGCLKSJQSA-N 2 0 230.396 1.891 20 0 BDADRP CC(C)c1ccc([C@@H]([NH3+])CN[C@H]2CC[NH2+]C2)cc1 ZINC000414851331 385653170 /nfs/dbraw/zinc/65/31/70/385653170.db2.gz UBEGVIBWKDFRQI-GJZGRUSLSA-N 2 0 247.386 1.761 20 0 BDADRP c1ccc([C@@H]2C[C@@H]2[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000643367028 385654250 /nfs/dbraw/zinc/65/42/50/385654250.db2.gz YCTDPYKCMMDWBS-KBXIAJHMSA-N 2 0 228.339 1.694 20 0 BDADRP C[NH2+]CCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000414857983 385730541 /nfs/dbraw/zinc/73/05/41/385730541.db2.gz GYWLIVGJJIWCIX-YNEHKIRRSA-N 2 0 225.380 1.106 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCOCC[NH+](C)C)[C@@H]1C ZINC000336694843 385741804 /nfs/dbraw/zinc/74/18/04/385741804.db2.gz NPHZPYOTZJYICL-UTUOFQBUSA-N 2 0 214.353 1.199 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@H](CO)C(C)(C)C ZINC000309637363 385760086 /nfs/dbraw/zinc/76/00/86/385760086.db2.gz JUUNPFCONJOMGN-LBPRGKRZSA-N 2 0 230.396 1.715 20 0 BDADRP C[C@@H](C[NH3+])N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000414944353 385777247 /nfs/dbraw/zinc/77/72/47/385777247.db2.gz NSMTXEWTVCRCMK-KCQAQPDRSA-N 2 0 247.386 1.444 20 0 BDADRP CCc1ncc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000647798673 385798333 /nfs/dbraw/zinc/79/83/33/385798333.db2.gz VJKWEEPBWDVEDJ-SDDRHHMPSA-N 2 0 249.358 1.715 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCC[NH2+]C1 ZINC000414867456 385802095 /nfs/dbraw/zinc/80/20/95/385802095.db2.gz OFEVZYVUOCBSPI-RDBSUJKOSA-N 2 0 239.407 1.639 20 0 BDADRP O[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647799714 385802990 /nfs/dbraw/zinc/80/29/90/385802990.db2.gz OSLLZSVYYPYVPX-ODXJTPSBSA-N 2 0 238.375 1.125 20 0 BDADRP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000414950898 385820868 /nfs/dbraw/zinc/82/08/68/385820868.db2.gz PEARLJAUWGVNME-MQYQWHSLSA-N 2 0 240.391 1.920 20 0 BDADRP Nc1ccc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000262536193 385857672 /nfs/dbraw/zinc/85/76/72/385857672.db2.gz BASIZRPMWXHPNI-BDAKNGLRSA-N 2 0 234.303 1.120 20 0 BDADRP C[C@H]([NH3+])[C@H](C)NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000521434457 385829048 /nfs/dbraw/zinc/82/90/48/385829048.db2.gz ZKPLHHSKPCHWGM-SDDRHHMPSA-N 2 0 241.379 1.103 20 0 BDADRP COC[C@H](CC(C)C)[NH2+]C[C@@H](C)C[NH3+] ZINC000414869221 385837231 /nfs/dbraw/zinc/83/72/31/385837231.db2.gz AIOCOPPCTLABLQ-QWRGUYRKSA-N 2 0 202.342 1.232 20 0 BDADRP C[C@@H](CCCCO)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000647803338 385838069 /nfs/dbraw/zinc/83/80/69/385838069.db2.gz VHIYUZRFGVNHHM-LBPRGKRZSA-N 2 0 236.359 1.786 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC[C@@H]2C)CO1 ZINC000647804807 385839791 /nfs/dbraw/zinc/83/97/91/385839791.db2.gz ZYHHOMSGCGHXDN-USZNOCQGSA-N 2 0 212.337 1.142 20 0 BDADRP C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000647804449 385841231 /nfs/dbraw/zinc/84/12/31/385841231.db2.gz QUPINFOYENDECL-QCLAVDOMSA-N 2 0 200.351 1.350 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000414955140 385841570 /nfs/dbraw/zinc/84/15/70/385841570.db2.gz LJXUULZEUZOODI-FRRDWIJNSA-N 2 0 228.380 1.778 20 0 BDADRP CC[N@H+](C)[C@H](C(=O)N[C@@H](C)C[NH3+])c1ccccc1 ZINC000262545578 385858508 /nfs/dbraw/zinc/85/85/08/385858508.db2.gz VBVBOJGAEATARM-AAEUAGOBSA-N 2 0 249.358 1.143 20 0 BDADRP C[C@@H]1C[C@@H]([N@H+](C)CCC[C@H]2CCO2)CCN1C ZINC000638115490 385851065 /nfs/dbraw/zinc/85/10/65/385851065.db2.gz DDWKGGWHPBKKEQ-RDBSUJKOSA-N 2 0 240.391 1.970 20 0 BDADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccno2)C1 ZINC000069724358 385854698 /nfs/dbraw/zinc/85/46/98/385854698.db2.gz VELXWNTYAXMGLO-SNVBAGLBSA-N 2 0 209.293 1.235 20 0 BDADRP [NH3+]CCC1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000069729526 385854731 /nfs/dbraw/zinc/85/47/31/385854731.db2.gz XGNDOEIDKZOBNW-ZDUSSCGKSA-N 2 0 226.364 1.474 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647797962 385792042 /nfs/dbraw/zinc/79/20/42/385792042.db2.gz ISMNQDGOTYWHBI-NAWOPXAZSA-N 2 0 226.364 1.388 20 0 BDADRP CO[C@](C)(C[N@@H+]1CC[C@@H](C[NH+](C)C)C1)C1CC1 ZINC000638076898 385794753 /nfs/dbraw/zinc/79/47/53/385794753.db2.gz OSNZQNAMEQRXJP-GXTWGEPZSA-N 2 0 240.391 1.685 20 0 BDADRP CC[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+][C@H](C)C2)[C@H](C)C1 ZINC000414961980 385889030 /nfs/dbraw/zinc/88/90/30/385889030.db2.gz ZLEPSDXVELHJAQ-SYQHCUMBSA-N 2 0 239.407 1.447 20 0 BDADRP COC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000122184230 385891939 /nfs/dbraw/zinc/89/19/39/385891939.db2.gz RWAIRJHDUJCTKK-WDEREUQCSA-N 2 0 214.353 1.484 20 0 BDADRP C[C@H]1CN(CCCC2CC[NH2+]CC2)CC[NH2+]1 ZINC000647842487 385891933 /nfs/dbraw/zinc/89/19/33/385891933.db2.gz BTTOKQMMCHUJHC-LBPRGKRZSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@H]1C[N@H+](CCCC2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000647844876 385895010 /nfs/dbraw/zinc/89/50/10/385895010.db2.gz YOWRHUNDKFGXFH-JSGCOSHPSA-N 3 0 239.407 1.435 20 0 BDADRP C[NH+]1CCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000647844181 385895562 /nfs/dbraw/zinc/89/55/62/385895562.db2.gz UPPUYSJHEDJKMW-UHFFFAOYSA-N 2 0 216.288 1.315 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000336741744 385907368 /nfs/dbraw/zinc/90/73/68/385907368.db2.gz NLSXHWSYAZHCBI-YNEHKIRRSA-N 2 0 228.380 1.325 20 0 BDADRP C[C@H](Cc1ccccc1F)[NH2+]C[C@@H](C)C[NH3+] ZINC000414876601 385909681 /nfs/dbraw/zinc/90/96/81/385909681.db2.gz LTUDCHJYNZLMRB-WDEREUQCSA-N 2 0 224.323 1.941 20 0 BDADRP COCC[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000122353637 385913643 /nfs/dbraw/zinc/91/36/43/385913643.db2.gz GCYQIDRSUDGKFT-HBNTYKKESA-N 2 0 200.326 1.081 20 0 BDADRP CC(C)N1C[C@H]([NH2+]C2CCC([NH3+])CC2)[C@@H](C)C1 ZINC000335034166 385923006 /nfs/dbraw/zinc/92/30/06/385923006.db2.gz JOCNRAJIWUVUCN-ABXWRUBCSA-N 3 0 239.407 1.575 20 0 BDADRP CC(C)[C@@H]1CCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000084126084 385865176 /nfs/dbraw/zinc/86/51/76/385865176.db2.gz VEEVBUFKYYICQY-ZDUSSCGKSA-N 2 0 225.380 1.012 20 0 BDADRP CCCn1nc(C)c(C[NH2+]C[C@H](C)C[NH3+])c1C ZINC000414872793 385866874 /nfs/dbraw/zinc/86/68/74/385866874.db2.gz GDGCZQUIZCNGFP-SNVBAGLBSA-N 2 0 238.379 1.594 20 0 BDADRP CC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000294961276 385928053 /nfs/dbraw/zinc/92/80/53/385928053.db2.gz FXSSWNJPFUCDNA-LBPRGKRZSA-N 2 0 233.315 1.008 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@H]2CC[C@H](F)C2)CC1 ZINC000335017820 385976408 /nfs/dbraw/zinc/97/64/08/385976408.db2.gz NTQJOVWTCFZOLA-ADPBJBESSA-N 2 0 214.328 1.984 20 0 BDADRP CCC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000295161722 385980239 /nfs/dbraw/zinc/98/02/39/385980239.db2.gz KPWSMJJGLSSDMT-ZDUSSCGKSA-N 2 0 247.342 1.398 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(C)CCOCC1 ZINC000335039010 385931139 /nfs/dbraw/zinc/93/11/39/385931139.db2.gz KCHMVBHZAPESJR-STQMWFEESA-N 2 0 240.391 1.781 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000335039996 385931503 /nfs/dbraw/zinc/93/15/03/385931503.db2.gz NYOKTZXOTSDIQM-KGLIPLIRSA-N 3 0 239.407 1.578 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000335040257 385933189 /nfs/dbraw/zinc/93/31/89/385933189.db2.gz DDSWLUMWSDZPFV-GJZGRUSLSA-N 2 0 230.355 1.871 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+]C1CCC(C(=O)OC)CC1 ZINC000414968839 385943278 /nfs/dbraw/zinc/94/32/78/385943278.db2.gz YNYOGFBRJRFPFH-VOMCLLRMSA-N 2 0 242.363 1.306 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1C[C@H](O)C[C@@H]1C ZINC000338280930 385947029 /nfs/dbraw/zinc/94/70/29/385947029.db2.gz VTSTWVJYMJJQLI-NWDGAFQWSA-N 2 0 214.353 1.173 20 0 BDADRP C([NH2+][C@@H]1CCCC12CCC2)[C@@H]1CNCCO1 ZINC000335053910 385953394 /nfs/dbraw/zinc/95/33/94/385953394.db2.gz YLWYPRLYRPDKMF-NWDGAFQWSA-N 2 0 224.348 1.287 20 0 BDADRP COc1ccc(CNCC2([NH3+])CCC2)cc1O ZINC000414879885 385954711 /nfs/dbraw/zinc/95/47/11/385954711.db2.gz JCWKULBLTJOUPD-UHFFFAOYSA-N 2 0 236.315 1.372 20 0 BDADRP C1CCC([N@@H+]2CC[C@@H](NC3CC[NH2+]CC3)C2)C1 ZINC000335055975 385955901 /nfs/dbraw/zinc/95/59/01/385955901.db2.gz TZOWCDVXEOVSGY-CYBMUJFWSA-N 2 0 237.391 1.345 20 0 BDADRP CCCC[C@H](COC)[NH2+]CC1([NH3+])CCC1 ZINC000414881264 385993996 /nfs/dbraw/zinc/99/39/96/385993996.db2.gz SCZWOGUSYSPPOZ-LLVKDONJSA-N 2 0 214.353 1.663 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC2([NH3+])CCCCC2)CCO1 ZINC000335012504 385969244 /nfs/dbraw/zinc/96/92/44/385969244.db2.gz ZFOFOYPWZWACOM-NWDGAFQWSA-N 2 0 226.364 1.805 20 0 BDADRP CC[C@H]([NH3+])C[NH2+]C[C@@H]1CCO[C@H](CC)C1 ZINC000414973288 386002821 /nfs/dbraw/zinc/00/28/21/386002821.db2.gz CBYBNZDGPFZSJZ-GRYCIOLGSA-N 2 0 214.353 1.519 20 0 BDADRP Cc1noc(C)c1CN1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000335066232 386003633 /nfs/dbraw/zinc/00/36/33/386003633.db2.gz RPLUMYXPENLEAX-GXTWGEPZSA-N 2 0 249.358 1.817 20 0 BDADRP CO[C@H](C)CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000336750801 386004590 /nfs/dbraw/zinc/00/45/90/386004590.db2.gz ZVMNIFBXRFQKPQ-YVECIDJPSA-N 2 0 228.380 1.730 20 0 BDADRP C[NH2+]Cc1ccc(NCC2CC[NH2+]CC2)cc1 ZINC000414976242 386015035 /nfs/dbraw/zinc/01/50/35/386015035.db2.gz NQTNZTSJWYNUCP-UHFFFAOYSA-N 2 0 233.359 1.818 20 0 BDADRP C[C@@H]([NH2+]Cc1ccc2c[nH+]cn2c1)[C@@H]1CCCO1 ZINC000414176250 386019856 /nfs/dbraw/zinc/01/98/56/386019856.db2.gz HHIHATZDFNXTRJ-RISCZKNCSA-N 2 0 245.326 1.991 20 0 BDADRP CC[N@@H+]1CC[C@@H](N[C@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000414882729 386020418 /nfs/dbraw/zinc/02/04/18/386020418.db2.gz CFXRFLQTAJEATB-RWMBFGLXSA-N 3 0 225.380 1.058 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)[C@H]1CCCO1 ZINC000414176987 386020995 /nfs/dbraw/zinc/02/09/95/386020995.db2.gz IQLNSFNCARFFNK-BFHYXJOUSA-N 2 0 240.391 1.875 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000345160813 386021805 /nfs/dbraw/zinc/02/18/05/386021805.db2.gz QDUPLACHYUQKOW-IHRRRGAJSA-N 2 0 242.407 1.857 20 0 BDADRP CO[C@H](C[N@H+](C)C[C@@H]1CCC[NH+](C)C1)C1CC1 ZINC000425424220 386043618 /nfs/dbraw/zinc/04/36/18/386043618.db2.gz WADZOEZLBPWHNN-TZMCWYRMSA-N 2 0 240.391 1.685 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@@H]2C[C@H](C)O[C@H]2C)CC1 ZINC000414295089 386103900 /nfs/dbraw/zinc/10/39/00/386103900.db2.gz ZIYNEWFQGVEWAM-AVGNSLFASA-N 2 0 240.391 1.874 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414665198 386107540 /nfs/dbraw/zinc/10/75/40/386107540.db2.gz UUJDOEKVCJTPSP-RQJABVFESA-N 3 0 239.407 1.434 20 0 BDADRP CC1=CC[C@@H]([NH2+]C[C@]2(O)CCN(C)C2)CC1 ZINC000334459986 386112136 /nfs/dbraw/zinc/11/21/36/386112136.db2.gz UERNFGXEBMTHKC-CHWSQXEVSA-N 2 0 224.348 1.141 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000365384066 386073353 /nfs/dbraw/zinc/07/33/53/386073353.db2.gz JNAJBRNAHHZNOH-KGLIPLIRSA-N 2 0 240.391 1.875 20 0 BDADRP CO[C@H](C[N@H+](C)CCC[NH+]1CCCC1)C1CC1 ZINC000425443007 386076594 /nfs/dbraw/zinc/07/65/94/386076594.db2.gz LAJGGJXFJYFOOF-CQSZACIVSA-N 2 0 240.391 1.829 20 0 BDADRP CC[C@@H](C)C[C@@H](CC)[NH2+]CCN1CC[NH2+]CC1 ZINC000414886817 386080268 /nfs/dbraw/zinc/08/02/68/386080268.db2.gz QNWUCYLWOOOCEF-ZIAGYGMSSA-N 2 0 241.423 1.696 20 0 BDADRP C[NH+](C)[C@H]1CCC[N@H+](CCn2ccnc2)CC1 ZINC000365401954 386080725 /nfs/dbraw/zinc/08/07/25/386080725.db2.gz HHOANDJQKXQWGF-ZDUSSCGKSA-N 3 0 236.363 1.299 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)CCC(F)(F)F ZINC000414887142 386084079 /nfs/dbraw/zinc/08/40/79/386084079.db2.gz YUJUUSVRYAGYHU-YUMQZZPRSA-N 2 0 212.259 1.902 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)C[C@H](C)O)CC1 ZINC000164595806 386085146 /nfs/dbraw/zinc/08/51/46/386085146.db2.gz MIOVFERPSURECM-RYUDHWBXSA-N 2 0 228.380 1.608 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414660316 386090585 /nfs/dbraw/zinc/09/05/85/386090585.db2.gz MPJQHDPHTXRTCH-UPJWGTAASA-N 2 0 225.380 1.058 20 0 BDADRP C[C@H]1C[C@@H](C[N@H+](C)CC(C)(C)C[NH3+])CC[NH2+]1 ZINC000414663327 386097052 /nfs/dbraw/zinc/09/70/52/386097052.db2.gz REEHECCYABFRJY-RYUDHWBXSA-N 3 0 227.396 1.291 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H](C)CC1CCOCC1 ZINC000414985806 386098686 /nfs/dbraw/zinc/09/86/86/386098686.db2.gz IBPUHYRXXFLVJL-JQWIXIFHSA-N 2 0 214.353 1.519 20 0 BDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414662392 386099106 /nfs/dbraw/zinc/09/91/06/386099106.db2.gz QAZJXZJSRPKKFN-MGPQQGTHSA-N 3 0 241.423 1.680 20 0 BDADRP [NH3+]CCOCC[N@H+](C1CC1)C1CCCCC1 ZINC000647877208 386145453 /nfs/dbraw/zinc/14/54/53/386145453.db2.gz LCOPIMARZWLINA-UHFFFAOYSA-N 2 0 226.364 1.759 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414991956 386150395 /nfs/dbraw/zinc/15/03/95/386150395.db2.gz BIGLPLKCRJFXST-AGIUHOORSA-N 3 0 227.396 1.467 20 0 BDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CC[NH2+]C1 ZINC000414893217 386151032 /nfs/dbraw/zinc/15/10/32/386151032.db2.gz YSQLWJCGNZOSCU-JHJVBQTASA-N 2 0 225.380 1.249 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@H]1CCc2c(cccc2OC)C1 ZINC000414992454 386156581 /nfs/dbraw/zinc/15/65/81/386156581.db2.gz RPEFJYAGZDGQEC-OLZOCXBDSA-N 2 0 248.370 1.879 20 0 BDADRP C[C@H]1C[C@H](C[N@H+](CCCCO)C2CC2)CC[NH2+]1 ZINC000414687254 386170132 /nfs/dbraw/zinc/17/01/32/386170132.db2.gz BYENULWURVXEGC-QWHCGFSZSA-N 2 0 240.391 1.611 20 0 BDADRP [NH3+]CCC[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000414687271 386170616 /nfs/dbraw/zinc/17/06/16/386170616.db2.gz CAATZXVOGLXXSU-LBPRGKRZSA-N 2 0 222.307 1.964 20 0 BDADRP CC[C@H](F)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000440764934 386139967 /nfs/dbraw/zinc/13/99/67/386139967.db2.gz NNHJVBPGQZMMNN-ZDUSSCGKSA-N 2 0 245.386 1.304 20 0 BDADRP [NH3+]CCC[N@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000414697715 386201256 /nfs/dbraw/zinc/20/12/56/386201256.db2.gz QCRHTURCNKJJAT-HNNXBMFYSA-N 2 0 248.370 1.707 20 0 BDADRP C[C@@H](c1cccnc1)N1CCN(CCC[NH3+])CC1 ZINC000414700440 386205005 /nfs/dbraw/zinc/20/50/05/386205005.db2.gz SPGJEKPFAPWKKZ-ZDUSSCGKSA-N 2 0 248.374 1.109 20 0 BDADRP CCCc1csc(C[NH2+]CCCC[NH3+])n1 ZINC000414897698 386215186 /nfs/dbraw/zinc/21/51/86/386215186.db2.gz CEVNIONSVBMBAC-UHFFFAOYSA-N 2 0 227.377 1.924 20 0 BDADRP CCS[C@@H]1CC[C@@H]([N@H+](C)CCC[NH3+])C1 ZINC000414712641 386229002 /nfs/dbraw/zinc/22/90/02/386229002.db2.gz UXCMPICJZYUFFE-GHMZBOCLSA-N 2 0 216.394 1.941 20 0 BDADRP CCC[C@@](C)(CO)[NH2+]C[C@@H]([NH3+])CC(C)C ZINC000414713202 386229832 /nfs/dbraw/zinc/22/98/32/386229832.db2.gz TYFVYYPLPMWDJU-RYUDHWBXSA-N 2 0 216.369 1.501 20 0 BDADRP CCC[C@@H]1C[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)CCO1 ZINC000414712357 386230526 /nfs/dbraw/zinc/23/05/26/386230526.db2.gz UAPCHJANKZFCBX-MELADBBJSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)[C@@H]1C[N@H+](CCC[NH3+])CCS1 ZINC000414713411 386232038 /nfs/dbraw/zinc/23/20/38/386232038.db2.gz VSRLLLFFSAUXKS-JTQLQIEISA-N 2 0 202.367 1.409 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414898581 386232056 /nfs/dbraw/zinc/23/20/56/386232056.db2.gz GJDCNHINQSTRAA-GFCCVEGCSA-N 2 0 236.363 1.251 20 0 BDADRP C[C@H](O)CC[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414715016 386235758 /nfs/dbraw/zinc/23/57/58/386235758.db2.gz VZGOORIKIVZLOX-GRYCIOLGSA-N 2 0 214.353 1.077 20 0 BDADRP CN(CC[NH2+]C(C)(C)C)C[C@@H]1CCC[C@H]1O ZINC000414716488 386239222 /nfs/dbraw/zinc/23/92/22/386239222.db2.gz YCLKMTDSGVRUJV-NWDGAFQWSA-N 2 0 228.380 1.467 20 0 BDADRP CO[C@H]1CC[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414716026 386243141 /nfs/dbraw/zinc/24/31/41/386243141.db2.gz WMSUZVHOTOKHIO-SRVKXCTJSA-N 2 0 212.337 1.095 20 0 BDADRP C[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CCCO2)C1 ZINC000336645576 386251190 /nfs/dbraw/zinc/25/11/90/386251190.db2.gz IEBHWVHKIMWCST-NEPJUHHUSA-N 2 0 212.337 1.049 20 0 BDADRP C[NH2+]CC1CC[NH+](Cc2cnc(C)cn2)CC1 ZINC000347107618 386253347 /nfs/dbraw/zinc/25/33/47/386253347.db2.gz OGZAFAYXULILFB-UHFFFAOYSA-N 2 0 234.347 1.216 20 0 BDADRP CC[C@@H]1C[C@H](C[NH+]2CCC([NH2+]C)CC2)CCO1 ZINC000347140057 386258900 /nfs/dbraw/zinc/25/89/00/386258900.db2.gz WAJCXGKJWXBESZ-TZMCWYRMSA-N 2 0 240.391 1.875 20 0 BDADRP COC(=O)C[N@H+](C[C@H]1CC[NH2+][C@@H](C)C1)C(C)C ZINC000414694667 386193231 /nfs/dbraw/zinc/19/32/31/386193231.db2.gz DOJTWFYVKUVESY-RYUDHWBXSA-N 2 0 242.363 1.258 20 0 BDADRP COC(=O)C[N@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)C(C)C ZINC000414694664 386193321 /nfs/dbraw/zinc/19/33/21/386193321.db2.gz DOJTWFYVKUVESY-NWDGAFQWSA-N 2 0 242.363 1.258 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]C[C@H]2CCSC2)C1 ZINC000414997346 386195615 /nfs/dbraw/zinc/19/56/15/386195615.db2.gz HFQUYQKUGPGIDM-IJLUTSLNSA-N 2 0 228.405 1.847 20 0 BDADRP C[C@H]1C[C@@H](C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)CC[NH2+]1 ZINC000414698159 386198161 /nfs/dbraw/zinc/19/81/61/386198161.db2.gz IQIKNZIIQVGANB-XDQVBPFNSA-N 3 0 237.391 1.058 20 0 BDADRP CCS[C@@H]1CCCC[N@H+](CCC[NH3+])C1 ZINC000414698437 386199319 /nfs/dbraw/zinc/19/93/19/386199319.db2.gz QVNUJRRUYNXGBO-LLVKDONJSA-N 2 0 216.394 1.943 20 0 BDADRP CC[NH2+]CC1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000347199355 386282024 /nfs/dbraw/zinc/28/20/24/386282024.db2.gz JEQIWHVTQPJIRR-CQSZACIVSA-N 3 0 239.407 1.308 20 0 BDADRP CCc1ccc([C@@H]2C[NH2+]CCN2CCC[NH3+])cc1 ZINC000414732904 386291794 /nfs/dbraw/zinc/29/17/94/386291794.db2.gz IYQZOMVDDYFXCH-HNNXBMFYSA-N 2 0 247.386 1.544 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)[C@@H]1CO ZINC000414733913 386299706 /nfs/dbraw/zinc/29/97/06/386299706.db2.gz FEKCKFKGCZFGKV-FDYHWXHSSA-N 2 0 226.364 1.077 20 0 BDADRP Cn1nccc1CC[N@H+](C)CCCn1ccnc1 ZINC000276322529 386302527 /nfs/dbraw/zinc/30/25/27/386302527.db2.gz PBRZRIULPWEILD-UHFFFAOYSA-N 2 0 247.346 1.181 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN(C)CCc1cnccn1 ZINC000414736338 386302603 /nfs/dbraw/zinc/30/26/03/386302603.db2.gz GNKDJZDTHDROAD-GFCCVEGCSA-N 2 0 236.363 1.324 20 0 BDADRP CC(C)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000335260932 386319005 /nfs/dbraw/zinc/31/90/05/386319005.db2.gz XXCLQTUVRWPKQV-GFCCVEGCSA-N 2 0 226.364 1.330 20 0 BDADRP C([C@@H]1CC[NH2+]C1)[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000647988760 386319125 /nfs/dbraw/zinc/31/91/25/386319125.db2.gz IGFJSTFNIFFJTI-TZMCWYRMSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)[C@H](C)O1 ZINC000297539757 386264580 /nfs/dbraw/zinc/26/45/80/386264580.db2.gz OPJIUFYYDGHJMG-UHIISALHSA-N 2 0 245.326 1.990 20 0 BDADRP CCCN(C[C@H]1CCC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000347178112 386268859 /nfs/dbraw/zinc/26/88/59/386268859.db2.gz SETMQKIPOBXYHN-STQMWFEESA-N 2 0 225.380 1.060 20 0 BDADRP CC[C@@H](C)[N@H+](CCO)CC[C@H]1CCC[NH+]1C ZINC000336658433 386274635 /nfs/dbraw/zinc/27/46/35/386274635.db2.gz MTLSJBGQQAEFGF-CHWSQXEVSA-N 2 0 228.380 1.564 20 0 BDADRP C([C@@H]1CC[NH2+]C1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000647987603 386276030 /nfs/dbraw/zinc/27/60/30/386276030.db2.gz HWYSKDODFWVIEH-RDBSUJKOSA-N 2 0 237.391 1.060 20 0 BDADRP C([C@H]1CC[NH2+]C1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000647987593 386276475 /nfs/dbraw/zinc/27/64/75/386276475.db2.gz HBEXEKYPAURHGV-MELADBBJSA-N 2 0 237.391 1.202 20 0 BDADRP C[N@H+](C[C@H]1CC[NH2+]C1)[C@@H](CCO)c1ccccc1 ZINC000647885746 386278851 /nfs/dbraw/zinc/27/88/51/386278851.db2.gz LHKCCFVVDNMCKJ-ZFWWWQNUSA-N 2 0 248.370 1.651 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](CCC[C@H](C)O)C1 ZINC000336682733 386340413 /nfs/dbraw/zinc/34/04/13/386340413.db2.gz YPOJKIBVHYNFLB-QWHCGFSZSA-N 2 0 228.380 1.421 20 0 BDADRP CC[N@H+](CCCO)CCCC1CC[NH2+]CC1 ZINC000647888024 386345167 /nfs/dbraw/zinc/34/51/67/386345167.db2.gz BGMWQFOQSFJOSA-UHFFFAOYSA-N 2 0 228.380 1.471 20 0 BDADRP c1cn(CC[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)cn1 ZINC000336687682 386351783 /nfs/dbraw/zinc/35/17/83/386351783.db2.gz AYSJSKFDRHFTLJ-ZIAGYGMSSA-N 2 0 249.358 1.632 20 0 BDADRP C([C@@H]1CC[NH2+]C1)[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000647989580 386358616 /nfs/dbraw/zinc/35/86/16/386358616.db2.gz HMBRRMVLZRIEAK-OCCSQVGLSA-N 2 0 238.375 1.344 20 0 BDADRP C(OC1CC[NH+](C[C@H]2CC[NH2+]C2)CC1)C1CC1 ZINC000647890008 386363008 /nfs/dbraw/zinc/36/30/08/386363008.db2.gz FJALMQSSBSYOQU-ZDUSSCGKSA-N 2 0 238.375 1.487 20 0 BDADRP CC[N@@H+]1CC[C@H](NCC[C@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000414906080 386372241 /nfs/dbraw/zinc/37/22/41/386372241.db2.gz ORYNMTRTTLIXDQ-MCIONIFRSA-N 3 0 239.407 1.448 20 0 BDADRP CC[N@H+](C)C[C@@H]1CCN(CCOCC(C)C)C1 ZINC000336695374 386373679 /nfs/dbraw/zinc/37/36/79/386373679.db2.gz OAUFIPJPQSLWNE-AWEZNQCLSA-N 2 0 242.407 1.933 20 0 BDADRP CCOCC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000336684302 386333391 /nfs/dbraw/zinc/33/33/91/386333391.db2.gz DZJLXDYEPLOSNY-CQSZACIVSA-N 2 0 240.391 1.687 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](O)C(C)(C)C2)CC[NH2+]1 ZINC000414740432 386333466 /nfs/dbraw/zinc/33/34/66/386333466.db2.gz LHYIQOWMIBCEKY-UPJWGTAASA-N 2 0 240.391 1.467 20 0 BDADRP CC(C)(C)[NH2+]CCN1CC[C@@](C)(C[NH3+])C1 ZINC000414743261 386334964 /nfs/dbraw/zinc/33/49/64/386334964.db2.gz UROOZYAVWYQSEF-LBPRGKRZSA-N 2 0 213.369 1.045 20 0 BDADRP C[C@H](CC1CCOCC1)C[N@@H+]1CC[C@@H]([NH3+])[C@@H]1C ZINC000414767187 386440118 /nfs/dbraw/zinc/44/01/18/386440118.db2.gz IPCQQBHSMYRYRP-MBNYWOFBSA-N 2 0 240.391 1.861 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)[C@H](CN)C1 ZINC000414769734 386450673 /nfs/dbraw/zinc/45/06/73/386450673.db2.gz NPSDXMMPJOFEPH-SYQHCUMBSA-N 2 0 239.407 1.434 20 0 BDADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)C1(C)CC1 ZINC000336732529 386400161 /nfs/dbraw/zinc/40/01/61/386400161.db2.gz FXZPNPAISJVLMO-LLVKDONJSA-N 2 0 226.364 1.221 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCCOC2)C1 ZINC000336700355 386401195 /nfs/dbraw/zinc/40/11/95/386401195.db2.gz KTHQPJHZLJXTFS-QWHCGFSZSA-N 2 0 226.364 1.297 20 0 BDADRP CCC1(O)CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000336711626 386412316 /nfs/dbraw/zinc/41/23/16/386412316.db2.gz RMDZARKOZHIRAN-CYBMUJFWSA-N 2 0 240.391 1.708 20 0 BDADRP COC(=O)C(C)(C)CC[N@H+](C)CC(C)(C)C[NH3+] ZINC000339409483 386414410 /nfs/dbraw/zinc/41/44/10/386414410.db2.gz ZMFDETYWMNWONJ-UHFFFAOYSA-N 2 0 244.379 1.492 20 0 BDADRP C[C@H]1C[C@@H](C[N@@H+]2CCOC[C@@H](C)C2)CC[NH2+]1 ZINC000399116402 386415764 /nfs/dbraw/zinc/41/57/64/386415764.db2.gz DKRFHRWNMCGHJX-AVGNSLFASA-N 2 0 226.364 1.343 20 0 BDADRP C[C@@H](O)CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000336708513 386418358 /nfs/dbraw/zinc/41/83/58/386418358.db2.gz IJIDWPRRDJAYOK-ZIAGYGMSSA-N 2 0 240.391 1.708 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000414762478 386425593 /nfs/dbraw/zinc/42/55/93/386425593.db2.gz BENXJXZFZOQXOF-RWMBFGLXSA-N 2 0 225.380 1.044 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000414763896 386430235 /nfs/dbraw/zinc/43/02/35/386430235.db2.gz YFDMNYPEOYENBS-RDBSUJKOSA-N 2 0 239.407 1.386 20 0 BDADRP [NH3+]CC1(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000414775036 386473038 /nfs/dbraw/zinc/47/30/38/386473038.db2.gz GBARUHLFJMYRAF-OLZOCXBDSA-N 2 0 237.391 1.047 20 0 BDADRP CCCC[C@@H](COC)[NH2+]C1CC[NH2+]CC1 ZINC000414787947 386528666 /nfs/dbraw/zinc/52/86/66/386528666.db2.gz ZUVFLHSILIHYMK-LBPRGKRZSA-N 2 0 214.353 1.533 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccncc2)CC1 ZINC000227330889 386475132 /nfs/dbraw/zinc/47/51/32/386475132.db2.gz JXHYDXQYSUPHPN-UHFFFAOYSA-N 2 0 233.359 1.903 20 0 BDADRP Cn1ccc(C[NH2+]CC2(C)CC[NH+](C)CC2)c1 ZINC000227329835 386477193 /nfs/dbraw/zinc/47/71/93/386477193.db2.gz QHKHMGXBBWPUOF-UHFFFAOYSA-N 2 0 235.375 1.847 20 0 BDADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cnccn1 ZINC000227499089 386486546 /nfs/dbraw/zinc/48/65/46/386486546.db2.gz ZROIINVPANHULP-GFCCVEGCSA-N 2 0 248.374 1.859 20 0 BDADRP C[C@@H]([NH3+])[C@H](C)[NH2+]C[C@@H](C)CC1CCOCC1 ZINC000415011818 386493639 /nfs/dbraw/zinc/49/36/39/386493639.db2.gz IGZYQLKXJOFOTO-TUAOUCFPSA-N 2 0 228.380 1.765 20 0 BDADRP COC[C@H](CC(C)C)[NH2+][C@@H](C)[C@@H](C)[NH3+] ZINC000415013148 386495219 /nfs/dbraw/zinc/49/52/19/386495219.db2.gz KIXUXOWJIALDGE-VWYCJHECSA-N 2 0 202.342 1.373 20 0 BDADRP C(C[C@@H]1CCOC1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415013683 386495500 /nfs/dbraw/zinc/49/55/00/386495500.db2.gz VGIFZRNTWQNVBB-KWCYVHTRSA-N 2 0 238.375 1.391 20 0 BDADRP CCCn1cc(C[NH2+][C@H](C)CCC[NH3+])cn1 ZINC000415019666 386500322 /nfs/dbraw/zinc/50/03/22/386500322.db2.gz IGWVUCOFFIOXDR-LLVKDONJSA-N 2 0 224.352 1.510 20 0 BDADRP COC[C@H](CC(C)C)[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415043911 386530608 /nfs/dbraw/zinc/53/06/08/386530608.db2.gz SGIMUTFUQFJLOU-AGIUHOORSA-N 2 0 228.380 1.765 20 0 BDADRP CC(C)[C@@H]1C[C@@H]([NH2+][C@H](C)CCC[NH3+])CCO1 ZINC000415017707 386503604 /nfs/dbraw/zinc/50/36/04/386503604.db2.gz FTIGJMVFUNNIQL-AGIUHOORSA-N 2 0 228.380 1.907 20 0 BDADRP CCc1ncc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)s1 ZINC000415050296 386505636 /nfs/dbraw/zinc/50/56/36/386505636.db2.gz YKBDFGHFPDSTMF-NXEZZACHSA-N 2 0 239.388 1.923 20 0 BDADRP CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415051558 386508045 /nfs/dbraw/zinc/50/80/45/386508045.db2.gz ZXJGGPPJUOETSS-MELADBBJSA-N 2 0 240.391 1.779 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+][C@@H](C)[C@H](C)[NH3+])CCO1 ZINC000415020226 386509549 /nfs/dbraw/zinc/50/95/49/386509549.db2.gz SPUJMNNYMXTCJM-NNYUYHANSA-N 2 0 214.353 1.517 20 0 BDADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cccc3c[nH]nc32)C1 ZINC000415051831 386509667 /nfs/dbraw/zinc/50/96/67/386509667.db2.gz ZVAIBYOSWPAJOG-GWCFXTLKSA-N 2 0 244.342 1.780 20 0 BDADRP COC(=O)c1coc(C[NH2+][C@H](C)CCC[NH3+])c1 ZINC000415025877 386514373 /nfs/dbraw/zinc/51/43/73/386514373.db2.gz RXWPUTQHPDSZII-SECBINFHSA-N 2 0 240.303 1.283 20 0 BDADRP CCn1nc(C)c(C[NH2+][C@H](C)CCC[NH3+])c1C ZINC000415026343 386516591 /nfs/dbraw/zinc/51/65/91/386516591.db2.gz TUVHJDSFCSEFNB-SNVBAGLBSA-N 2 0 238.379 1.737 20 0 BDADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000331390306 386517186 /nfs/dbraw/zinc/51/71/86/386517186.db2.gz QAXJMZKRIGAFMH-DRZSPHRISA-N 2 0 248.374 1.515 20 0 BDADRP CCCC[C@H](CC)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415032121 386518358 /nfs/dbraw/zinc/51/83/58/386518358.db2.gz FOCGVMHJYSIBMD-STQMWFEESA-N 2 0 228.380 1.923 20 0 BDADRP CCC[C@H](C)C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415033298 386521297 /nfs/dbraw/zinc/52/12/97/386521297.db2.gz GWHGVGYBUAHUDQ-RYUDHWBXSA-N 2 0 214.353 1.391 20 0 BDADRP COc1ccccc1C[C@H](C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415036166 386521836 /nfs/dbraw/zinc/52/18/36/386521836.db2.gz LLFFFDOHMJOSKB-MUYACECFSA-N 2 0 246.354 1.434 20 0 BDADRP C[C@@H]1OCC[C@@]1(C)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000336780163 386523861 /nfs/dbraw/zinc/52/38/61/386523861.db2.gz QPSFPMYUBBIAGJ-RWMBFGLXSA-N 2 0 226.364 1.628 20 0 BDADRP C[C@@]1(C[NH2+]CC[C@H]2CCOC2)CCC[NH2+]C1 ZINC000414917008 386524619 /nfs/dbraw/zinc/52/46/19/386524619.db2.gz QUAWTBPJHSORBC-QWHCGFSZSA-N 2 0 226.364 1.392 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415036555 386524955 /nfs/dbraw/zinc/52/49/55/386524955.db2.gz LNLDAIYFQTYULG-MROQNXINSA-N 3 0 225.380 1.234 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+]2C[C@H](C)NC[C@H]2C)CC[NH2+]1 ZINC000414769032 386453316 /nfs/dbraw/zinc/45/33/16/386453316.db2.gz VYZLEZRANQZNAA-YVECIDJPSA-N 2 0 225.380 1.057 20 0 BDADRP C[C@H]1C[C@@H](C[N@H+](C)Cc2ccnn2C)CC[NH2+]1 ZINC000414770222 386455991 /nfs/dbraw/zinc/45/59/91/386455991.db2.gz XVGDKWXUCNRTSF-RYUDHWBXSA-N 2 0 236.363 1.240 20 0 BDADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)NC1CC[NH2+]CC1 ZINC000414774514 386465572 /nfs/dbraw/zinc/46/55/72/386465572.db2.gz BLKDGGIFSKDGSQ-GXTWGEPZSA-N 2 0 239.407 1.639 20 0 BDADRP CC[N@@H+]1CCCC[C@H]1CN[C@@H]1CCC[NH2+]CC1 ZINC000415076363 386579720 /nfs/dbraw/zinc/57/97/20/386579720.db2.gz GIAAQCYMMHTRQX-KGLIPLIRSA-N 3 0 239.407 1.593 20 0 BDADRP CCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000343245311 386582432 /nfs/dbraw/zinc/58/24/32/386582432.db2.gz BUSUUASGNMBQRS-JHJVBQTASA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@H](CO)c2ccccc2)CC[NH2+]1 ZINC000415078448 386586402 /nfs/dbraw/zinc/58/64/02/386586402.db2.gz IOWXCIAZWQYHFW-UMVBOHGHSA-N 2 0 248.370 1.698 20 0 BDADRP CCC[C@@H]1C[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000300387209 386593016 /nfs/dbraw/zinc/59/30/16/386593016.db2.gz PEJGGNSBLZWBIX-FRRDWIJNSA-N 2 0 226.364 1.221 20 0 BDADRP Cc1ccc(F)c(CN[C@@H](C[NH3+])C2CC2)c1 ZINC000414799678 386593171 /nfs/dbraw/zinc/59/31/71/386593171.db2.gz KHQRGQYODBMHMW-ZDUSSCGKSA-N 2 0 222.307 1.961 20 0 BDADRP COc1ccc2c(c1)C[C@H]([NH2+]CC(C)(C)[NH3+])CC2 ZINC000414802666 386595345 /nfs/dbraw/zinc/59/53/45/386595345.db2.gz LBOUTXCCHDRWMM-CYBMUJFWSA-N 2 0 248.370 1.879 20 0 BDADRP COCc1ccccc1C[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC000415084240 386596426 /nfs/dbraw/zinc/59/64/26/386596426.db2.gz GIVVFRHYMIGMDR-HNNXBMFYSA-N 2 0 248.370 1.922 20 0 BDADRP CC(C)n1cc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)cn1 ZINC000415044997 386531170 /nfs/dbraw/zinc/53/11/70/386531170.db2.gz SWRGQXRSDHUPPI-AAEUAGOBSA-N 2 0 236.363 1.681 20 0 BDADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccc3c[nH]nc3c2)C1 ZINC000415045919 386532641 /nfs/dbraw/zinc/53/26/41/386532641.db2.gz UQXGHLDUKGEOIE-GWCFXTLKSA-N 2 0 244.342 1.780 20 0 BDADRP CC(C)(C)[C@@H](C[NH3+])NCc1cncc(F)c1 ZINC000415058684 386540268 /nfs/dbraw/zinc/54/02/68/386540268.db2.gz WIWCUNHYPRWBBU-LLVKDONJSA-N 2 0 225.311 1.684 20 0 BDADRP CC[NH+](CC)[C@H]1CCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000062980187 386541509 /nfs/dbraw/zinc/54/15/09/386541509.db2.gz SEGHXYLDUCQFTK-KGLIPLIRSA-N 2 0 239.407 1.402 20 0 BDADRP CC(C)(C)[C@@H](C[NH3+])NCc1nccs1 ZINC000415059668 386541815 /nfs/dbraw/zinc/54/18/15/386541815.db2.gz VHWYAJMXXXBCTD-MRVPVSSYSA-N 2 0 213.350 1.606 20 0 BDADRP CC[NH+](CC)CCCN[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000336755831 386548275 /nfs/dbraw/zinc/54/82/75/386548275.db2.gz GNLGIAKQYNXRBD-QWHCGFSZSA-N 2 0 227.396 1.258 20 0 BDADRP CCOCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975108 386549160 /nfs/dbraw/zinc/54/91/60/386549160.db2.gz LNMMAFMAXZAUEE-KGLIPLIRSA-N 2 0 240.391 1.735 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+][C@H]2CCCC[NH2+]C2)CCO1 ZINC000415070284 386550663 /nfs/dbraw/zinc/55/06/63/386550663.db2.gz QMQBTGYLVUBXHA-HZSPNIEDSA-N 2 0 240.391 1.923 20 0 BDADRP CN(CCN(C)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000519768409 386551194 /nfs/dbraw/zinc/55/11/94/386551194.db2.gz YNXVJQMOXBFQRL-AWEZNQCLSA-N 2 0 233.359 1.417 20 0 BDADRP C[C@@H]1CC([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@@H](C)C1 ZINC000415070590 386551853 /nfs/dbraw/zinc/55/18/53/386551853.db2.gz YCJBRTPCEQSUQS-XZPDDHLCSA-N 2 0 208.349 1.619 20 0 BDADRP C[NH+]1CCC(N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000415070852 386557326 /nfs/dbraw/zinc/55/73/26/386557326.db2.gz VRDPNMUBSIGKLZ-CYBMUJFWSA-N 2 0 225.380 1.188 20 0 BDADRP CC[C@H]1C[N@H+](CCCCCOC)CC[C@@H]1[NH3+] ZINC000647936819 386557580 /nfs/dbraw/zinc/55/75/80/386557580.db2.gz LUBLWSUXTWUTMC-STQMWFEESA-N 2 0 228.380 1.862 20 0 BDADRP CCC[NH+]1CCC(N[C@H]2CCCC[NH2+]C2)CC1 ZINC000415070897 386560307 /nfs/dbraw/zinc/56/03/07/386560307.db2.gz RMIQYYPRKVZELO-AWEZNQCLSA-N 2 0 239.407 1.593 20 0 BDADRP CC(C)[C@@H]([NH3+])C[NH2+]C1CCSCC1 ZINC000414794364 386561013 /nfs/dbraw/zinc/56/10/13/386561013.db2.gz LZESOSBBYPUYIL-JTQLQIEISA-N 2 0 202.367 1.455 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+]C[C@]2(C)CCC[NH2+]C2)CC[NH2+]1 ZINC000414919824 386563703 /nfs/dbraw/zinc/56/37/03/386563703.db2.gz XWYZNRUVJIDVKW-HZSPNIEDSA-N 3 0 239.407 1.354 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC000415073547 386564436 /nfs/dbraw/zinc/56/44/36/386564436.db2.gz NPQCICIGZDHHSX-FRRDWIJNSA-N 3 0 225.380 1.106 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CN[C@H]1CCC[NH2+]C1 ZINC000415074624 386567485 /nfs/dbraw/zinc/56/74/85/386567485.db2.gz DAOICYHHHPPGAF-QWHCGFSZSA-N 2 0 225.380 1.202 20 0 BDADRP CC[C@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH2+]CC1 ZINC000136184927 386568286 /nfs/dbraw/zinc/56/82/86/386568286.db2.gz AMILAOBJIQSWRT-STQMWFEESA-N 2 0 225.380 1.155 20 0 BDADRP CC[C@@H]1CCC[C@H](C[N@H+](C)C[C@@H](O)C[NH3+])C1 ZINC000415073865 386571173 /nfs/dbraw/zinc/57/11/73/386571173.db2.gz YZGYODJPVZMNFR-AGIUHOORSA-N 2 0 228.380 1.454 20 0 BDADRP CC[C@@H]1CCC[C@@H](C[N@H+](C)C[C@H](O)C[NH3+])C1 ZINC000415073868 386572283 /nfs/dbraw/zinc/57/22/83/386572283.db2.gz YZGYODJPVZMNFR-JHJVBQTASA-N 2 0 228.380 1.454 20 0 BDADRP COCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976214 386572445 /nfs/dbraw/zinc/57/24/45/386572445.db2.gz LMRYDXZFTHANDG-OLZOCXBDSA-N 2 0 226.364 1.344 20 0 BDADRP CCC([NH3+])(CC)C[NH2+]CC[C@@H]1CCOC1 ZINC000414808125 386622295 /nfs/dbraw/zinc/62/22/95/386622295.db2.gz KGLRGQFBNZAYNN-LLVKDONJSA-N 2 0 214.353 1.520 20 0 BDADRP C([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CCC[NH2+]C1 ZINC000415103713 386624548 /nfs/dbraw/zinc/62/45/48/386624548.db2.gz CWLSWCRAZPMCMP-RNJOBUHISA-N 2 0 208.349 1.764 20 0 BDADRP C[C@@H](CO)[N@H+](CC1CCC1)CC1CC[NH2+]CC1 ZINC000415104766 386624857 /nfs/dbraw/zinc/62/48/57/386624857.db2.gz LNSWLANWAOUYCM-LBPRGKRZSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[NH2+]C1)C1CCSCC1 ZINC000335498707 386626165 /nfs/dbraw/zinc/62/61/65/386626165.db2.gz UFAQLSKSNDYUNW-ONGXEEELSA-N 2 0 214.378 1.470 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1C[C@H]([NH3+])Cc2ccccc21 ZINC000415133766 386639877 /nfs/dbraw/zinc/63/98/77/386639877.db2.gz GCHTUTVZMLGMPN-UONOGXRCSA-N 2 0 247.386 1.750 20 0 BDADRP CC[NH+](CC)[C@@H](C)CNC1CC[NH+](C)CC1 ZINC000336782614 386648874 /nfs/dbraw/zinc/64/88/74/386648874.db2.gz YFOIEGBVEGVNMS-LBPRGKRZSA-N 2 0 227.396 1.401 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000414803754 386600163 /nfs/dbraw/zinc/60/01/63/386600163.db2.gz NZDIFYBNOWLVKH-STQMWFEESA-N 2 0 225.380 1.093 20 0 BDADRP Cc1ccc(CN[C@H](C[NH3+])C2CC2)nc1 ZINC000414803745 386600779 /nfs/dbraw/zinc/60/07/79/386600779.db2.gz NYVXTMNGISTZLR-GFCCVEGCSA-N 2 0 205.305 1.217 20 0 BDADRP Cc1cccnc1C[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415086603 386604915 /nfs/dbraw/zinc/60/49/15/386604915.db2.gz UXGGQCLPNILZOF-CHWSQXEVSA-N 2 0 233.359 1.868 20 0 BDADRP C[C@]1(C[NH2+]Cc2cccc(F)c2)CC[NH2+]C1 ZINC000415086573 386605423 /nfs/dbraw/zinc/60/54/23/386605423.db2.gz RZPMHNZRXPWFIF-ZDUSSCGKSA-N 2 0 222.307 1.915 20 0 BDADRP Cc1c(C[NH2+]C2CCC(C[NH3+])CC2)cnn1C ZINC000415099681 386608604 /nfs/dbraw/zinc/60/86/04/386608604.db2.gz HBMGDJHJKPFCBD-UHFFFAOYSA-N 2 0 236.363 1.336 20 0 BDADRP [NH3+]CC1CCC([NH2+]C[C@@H]2CCCCO2)CC1 ZINC000415108807 386617184 /nfs/dbraw/zinc/61/71/84/386617184.db2.gz PDEOHRQISZPVGB-BPCQOVAHSA-N 2 0 226.364 1.663 20 0 BDADRP COC(=O)C1(C[NH2+][C@@H](C)C[C@H]2CCC[NH2+]2)CC1 ZINC000415108900 386617497 /nfs/dbraw/zinc/61/74/97/386617497.db2.gz QVMYYOFKQKJCCW-WDEREUQCSA-N 2 0 240.347 1.060 20 0 BDADRP CC(C)(C[NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000335496601 386618817 /nfs/dbraw/zinc/61/88/17/386618817.db2.gz RHNXABLXZOWRBL-UHFFFAOYSA-N 2 0 233.315 1.213 20 0 BDADRP CC1(C)COC[C@@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000335525324 386669524 /nfs/dbraw/zinc/66/95/24/386669524.db2.gz IVGUDTLSFOADGZ-MCIGGMRASA-N 2 0 226.364 1.519 20 0 BDADRP Cc1ccc(F)cc1CNC[C@H]1CCC[NH2+]1 ZINC000414822193 386669879 /nfs/dbraw/zinc/66/98/79/386669879.db2.gz DHUZSWIMBCXLKW-CYBMUJFWSA-N 2 0 222.307 1.976 20 0 BDADRP CC[C@H](COC)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414825783 386691042 /nfs/dbraw/zinc/69/10/42/386691042.db2.gz HQZMGEQBDFJJSE-YIBTVLSRSA-N 2 0 212.337 1.284 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000357022163 386693032 /nfs/dbraw/zinc/69/30/32/386693032.db2.gz BDYDPROVVORJBG-LLVKDONJSA-N 2 0 240.372 1.860 20 0 BDADRP C[N@H+](CCC[NH+]1CCCC1)CCC(C)(C)O ZINC000337281728 386698294 /nfs/dbraw/zinc/69/82/94/386698294.db2.gz WPLVSPTVNZEYPU-UHFFFAOYSA-N 2 0 228.380 1.565 20 0 BDADRP CC(C)C[C@@H]([NH3+])c1noc([C@@H]2CC[N@H+](C)C2)n1 ZINC000520580630 386702404 /nfs/dbraw/zinc/70/24/04/386702404.db2.gz DETYIIVKKQJZDB-NXEZZACHSA-N 2 0 238.335 1.535 20 0 BDADRP C[C@@H]1C[C@H]1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357050925 386703709 /nfs/dbraw/zinc/70/37/09/386703709.db2.gz MNTDGPKWGYPJLX-BNOWGMLFSA-N 2 0 222.376 1.964 20 0 BDADRP C[NH2+]C[C@@H](C)CNCc1cnn(C(C)C)c1 ZINC000414830289 386705115 /nfs/dbraw/zinc/70/51/15/386705115.db2.gz CAEPLWITSFTRLV-LLVKDONJSA-N 2 0 224.352 1.409 20 0 BDADRP CC[C@@H](COC)[NH2+][C@H](CN)C1CCCCC1 ZINC000414830353 386705729 /nfs/dbraw/zinc/70/57/29/386705729.db2.gz AYFJCNCDVDTRLG-QWHCGFSZSA-N 2 0 228.380 1.909 20 0 BDADRP COCC(C)(C)C[NH2+]C[C@H](N)c1ccccc1 ZINC000414830211 386707616 /nfs/dbraw/zinc/70/76/16/386707616.db2.gz LUBRKHUVIQPWHW-ZDUSSCGKSA-N 2 0 236.359 1.949 20 0 BDADRP CO[C@]1(C)C[C@H]([N@H+](C)CCOCC[NH3+])C1(C)C ZINC000357080465 386708273 /nfs/dbraw/zinc/70/82/73/386708273.db2.gz MIWHJIDWNDBMTM-WCQYABFASA-N 2 0 244.379 1.097 20 0 BDADRP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000414837131 386734022 /nfs/dbraw/zinc/73/40/22/386734022.db2.gz VPBDKWHBEDBUSO-RDBSUJKOSA-N 2 0 240.391 1.779 20 0 BDADRP CC[C@@H]1C[C@@H](C[NH2+]C[C@@H](C)C[NH2+]C)CCO1 ZINC000414838688 386738702 /nfs/dbraw/zinc/73/87/02/386738702.db2.gz LKTKBEOUWTZZEJ-RWMBFGLXSA-N 2 0 228.380 1.637 20 0 BDADRP c1cnn([C@H]2CCCC[C@@H]2[NH2+]C2CC[NH2+]CC2)c1 ZINC000335541661 386722569 /nfs/dbraw/zinc/72/25/69/386722569.db2.gz DRHMKCWRGCAQIP-KBPBESRZSA-N 2 0 248.374 1.708 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CCCN(C)CC[NH+](C)C)C1 ZINC000623088025 386723818 /nfs/dbraw/zinc/72/38/18/386723818.db2.gz SRWVRRTYSCMECQ-ZIAGYGMSSA-N 2 0 241.423 1.648 20 0 BDADRP C(C[C@@H]1CC[NH2+]C1)[NH2+][C@@H]1CCCSC1 ZINC000414839908 386745487 /nfs/dbraw/zinc/74/54/87/386745487.db2.gz WSVXAEDALXAXPK-WDEREUQCSA-N 2 0 214.378 1.471 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccccc1C ZINC000414842077 386748087 /nfs/dbraw/zinc/74/80/87/386748087.db2.gz OVHTXYRYIGMHJZ-LLVKDONJSA-N 2 0 206.333 1.940 20 0 BDADRP COc1ccsc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414840975 386751712 /nfs/dbraw/zinc/75/17/12/386751712.db2.gz XMQRFKRDVVLYJA-JTQLQIEISA-N 2 0 240.372 1.846 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCCSC1 ZINC000414840813 386752550 /nfs/dbraw/zinc/75/25/50/386752550.db2.gz NMNPIMOBNFTWSD-VHSXEESVSA-N 2 0 202.367 1.327 20 0 BDADRP CCC[NH+]1CCC(C[NH2+]Cc2cocn2)CC1 ZINC000192307916 386755475 /nfs/dbraw/zinc/75/54/75/386755475.db2.gz FALANWZFWODOEJ-UHFFFAOYSA-N 2 0 237.347 1.886 20 0 BDADRP CC1(C)C[N@H+](CCn2ccnc2)[C@@H]2COC[C@@H]21 ZINC000334634740 386767765 /nfs/dbraw/zinc/76/77/65/386767765.db2.gz OJUBODDLGVWDEA-NWDGAFQWSA-N 2 0 235.331 1.240 20 0 BDADRP CCn1nc(C)c(CNC[C@H](C)C[NH2+]C)c1C ZINC000414839210 386742065 /nfs/dbraw/zinc/74/20/65/386742065.db2.gz LYHNLEODDHMNDF-SNVBAGLBSA-N 2 0 238.379 1.465 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCOC[C@@H]1C ZINC000192131069 386744139 /nfs/dbraw/zinc/74/41/39/386744139.db2.gz AESSWNBOJIOKEP-QWHCGFSZSA-N 2 0 228.380 1.733 20 0 BDADRP CC[NH2+]CCN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000414844760 386776909 /nfs/dbraw/zinc/77/69/09/386776909.db2.gz LJJKSHNMQAKJME-CHWSQXEVSA-N 2 0 227.396 1.496 20 0 BDADRP C[C@H](C1CCC1)[N@H+](C)C[C@H](O)CN(C)C1CC1 ZINC000325330952 386785864 /nfs/dbraw/zinc/78/58/64/386785864.db2.gz HKBMGRUNLQQSAP-RISCZKNCSA-N 2 0 240.391 1.562 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)Cn1cccn1 ZINC000336671567 386818086 /nfs/dbraw/zinc/81/80/86/386818086.db2.gz SJTJKAXHYYFTFA-NEPJUHHUSA-N 2 0 224.352 1.379 20 0 BDADRP CC(C)C[C@@H]([NH3+])CNC[C@H]1[NH2+]CCCC1(C)C ZINC000414934829 386799438 /nfs/dbraw/zinc/79/94/38/386799438.db2.gz VMQLSOQWUUFGQJ-CHWSQXEVSA-N 2 0 241.423 1.728 20 0 BDADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@@H]([NH3+])CC ZINC000417847127 386805898 /nfs/dbraw/zinc/80/58/98/386805898.db2.gz ZFPOURVGTKJIMI-QWHCGFSZSA-N 2 0 249.358 1.102 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+]C[C@H](C)CC1CCOCC1 ZINC000414846180 386810894 /nfs/dbraw/zinc/81/08/94/386810894.db2.gz UGKZFXZEOXANAR-OLZOCXBDSA-N 2 0 242.407 1.884 20 0 BDADRP [NH3+]C1(CNC[C@H]2CCC[NH2+]C2)CCCCC1 ZINC000414846027 386811506 /nfs/dbraw/zinc/81/15/06/386811506.db2.gz RXHHPWFUSVTBFF-LBPRGKRZSA-N 2 0 225.380 1.237 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414847429 386834061 /nfs/dbraw/zinc/83/40/61/386834061.db2.gz VUYNYIHHKAKXDC-QWHCGFSZSA-N 3 0 227.396 1.339 20 0 BDADRP C(C[N@@H+]1CC[C@@]2(CCOC2)C1)[C@H]1CC[NH2+]C1 ZINC000334783900 386842705 /nfs/dbraw/zinc/84/27/05/386842705.db2.gz DMSPJYNOFPQBCC-CHWSQXEVSA-N 2 0 224.348 1.098 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CCC1CCOCC1 ZINC000336673688 386845568 /nfs/dbraw/zinc/84/55/68/386845568.db2.gz UHEWFEZDYQLILB-LBPRGKRZSA-N 2 0 228.380 1.910 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@@H]1COC(C)(C)C1 ZINC000417882547 386846852 /nfs/dbraw/zinc/84/68/52/386846852.db2.gz VKAAKDFIQQNYKR-LBPRGKRZSA-N 2 0 244.379 1.112 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000331393993 386848505 /nfs/dbraw/zinc/84/85/05/386848505.db2.gz BLYZUHUSNWTYES-QNWHQSFQSA-N 2 0 226.364 1.397 20 0 BDADRP C[C@H](NC[C@@H]1[NH2+]CCCC1(C)C)[C@@H]1CC[NH2+]C1 ZINC000414938430 386853037 /nfs/dbraw/zinc/85/30/37/386853037.db2.gz YMUOOWKILIKGEF-XQQFMLRXSA-N 2 0 239.407 1.352 20 0 BDADRP C[C@H]1OCC[C@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000357851194 386856965 /nfs/dbraw/zinc/85/69/65/386856965.db2.gz NNSXPMXQPHVHAV-CHWSQXEVSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1cnc(CN[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)n1C ZINC000341256358 386868299 /nfs/dbraw/zinc/86/82/99/386868299.db2.gz HKRSSATUZAIADV-GXFFZTMASA-N 2 0 248.374 1.301 20 0 BDADRP COC[C@]1(C[NH2+][C@H]2CCC[C@H](C)C2)CCC[NH2+]1 ZINC000414940102 386877872 /nfs/dbraw/zinc/87/78/72/386877872.db2.gz HBCCTIZHRZNGMO-MELADBBJSA-N 2 0 240.391 1.923 20 0 BDADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CC2CC2)CC1 ZINC000334862413 386918180 /nfs/dbraw/zinc/91/81/80/386918180.db2.gz LIFSRUGECYZXTE-ZIAGYGMSSA-N 2 0 238.375 1.615 20 0 BDADRP C[C@H](O)C[C@H](C)C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000331874288 386918762 /nfs/dbraw/zinc/91/87/62/386918762.db2.gz BODSVYTZYIBVOW-CYDGBPFRSA-N 2 0 228.380 1.643 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000331870913 386919618 /nfs/dbraw/zinc/91/96/18/386919618.db2.gz BFVIWKSHRCQTFD-UTUOFQBUSA-N 2 0 214.353 1.397 20 0 BDADRP CC(C)([NH3+])CN1CCO[C@@H](C2CCC2)C1 ZINC000334853365 386904092 /nfs/dbraw/zinc/90/40/92/386904092.db2.gz KEVBFEJOPZTLMO-LLVKDONJSA-N 2 0 212.337 1.225 20 0 BDADRP C[C@H]1C[C@H](C[N@@H+]2CCN(C)CC2(C)C)CC[NH2+]1 ZINC000334853498 386905164 /nfs/dbraw/zinc/90/51/64/386905164.db2.gz DFCHGAFCIVIHLL-QWHCGFSZSA-N 2 0 239.407 1.401 20 0 BDADRP CC1(C[NH2+]C2CCSCC2)CC[NH2+]CC1 ZINC000334866409 386923930 /nfs/dbraw/zinc/92/39/30/386923930.db2.gz VWMQXSALOYGVIJ-UHFFFAOYSA-N 2 0 228.405 1.861 20 0 BDADRP C[N@H+](Cc1cccc2c[nH]nc21)C1CC([NH3+])C1 ZINC000334867444 386926416 /nfs/dbraw/zinc/92/64/16/386926416.db2.gz FQPZCIURCUVEPN-UHFFFAOYSA-N 2 0 230.315 1.484 20 0 BDADRP CC[C@H](O)C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000331956050 386931325 /nfs/dbraw/zinc/93/13/25/386931325.db2.gz JTRKXFCBQDCIAT-GARJFASQSA-N 2 0 200.326 1.007 20 0 BDADRP CC1(C)CC[C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C1 ZINC000334873779 386935201 /nfs/dbraw/zinc/93/52/01/386935201.db2.gz JGXTUPOWYAWAMI-NWDGAFQWSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]([NH3+])[C@@H](C)N[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000332001075 386938401 /nfs/dbraw/zinc/93/84/01/386938401.db2.gz OOIWFZIOLQPEFJ-LPWJVIDDSA-N 2 0 227.396 1.623 20 0 BDADRP CCOCCC1(C[NH2+][C@H]2CN(C)C[C@@H]2C)CC1 ZINC000358345784 386938878 /nfs/dbraw/zinc/93/88/78/386938878.db2.gz OQNOXWFDAOOVCS-STQMWFEESA-N 2 0 240.391 1.733 20 0 BDADRP CCC([NH3+])(CC)CN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000332063375 386953276 /nfs/dbraw/zinc/95/32/76/386953276.db2.gz ZKJVFSKEAYSSIQ-VXGBXAGGSA-N 2 0 227.396 1.754 20 0 BDADRP CCC([NH3+])(CC)CN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000332063373 386954151 /nfs/dbraw/zinc/95/41/51/386954151.db2.gz ZKJVFSKEAYSSIQ-NWDGAFQWSA-N 2 0 227.396 1.754 20 0 BDADRP CC(C)CCC[NH2+]CC1CC[NH+](CCO)CC1 ZINC000341797823 386965226 /nfs/dbraw/zinc/96/52/26/386965226.db2.gz JACNZHCGIBWRLC-UHFFFAOYSA-N 2 0 242.407 1.717 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000332249180 386968273 /nfs/dbraw/zinc/96/82/73/386968273.db2.gz XQAMMTMTDIDGGE-XUXIUFHCSA-N 2 0 240.391 1.787 20 0 BDADRP C[C@]1(CN[C@H]2CCCCC[C@H]2[NH3+])CCC[NH2+]C1 ZINC000332286314 386968960 /nfs/dbraw/zinc/96/89/60/386968960.db2.gz GSYZKLZELDFGFW-RDBSUJKOSA-N 2 0 239.407 1.626 20 0 BDADRP Cc1c[nH+]ccc1N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000162200182 386977083 /nfs/dbraw/zinc/97/70/83/386977083.db2.gz ZHEDRFSBMFYZBX-GHMZBOCLSA-N 2 0 205.305 1.564 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccncc2)C1 ZINC000162188048 386948654 /nfs/dbraw/zinc/94/86/54/386948654.db2.gz ZRXCTXRPLBVRIS-JQWIXIFHSA-N 2 0 205.305 1.251 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CN(C)C[C@H]1C)C1CCOCC1 ZINC000358411477 386951415 /nfs/dbraw/zinc/95/14/15/386951415.db2.gz YVPOUCDDJFAFET-KWCYVHTRSA-N 2 0 240.391 1.731 20 0 BDADRP Cc1ccc(O)c(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)n1 ZINC000216070467 387030935 /nfs/dbraw/zinc/03/09/35/387030935.db2.gz PZIYGENJNIOVTP-QWRGUYRKSA-N 2 0 235.331 1.265 20 0 BDADRP CC(C)C[C@H]([NH3+])C[N@H+](C)C[C@H]1CCOC1 ZINC000398993915 387035083 /nfs/dbraw/zinc/03/50/83/387035083.db2.gz QLENBNDODMFPFZ-NEPJUHHUSA-N 2 0 214.353 1.328 20 0 BDADRP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC000070074073 387043645 /nfs/dbraw/zinc/04/36/45/387043645.db2.gz JQYPQVFRPGNRAI-CYBMUJFWSA-N 2 0 219.332 1.785 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@](C)(O)C2)[C@H]2CCC[C@@H]21 ZINC000417411847 387046603 /nfs/dbraw/zinc/04/66/03/387046603.db2.gz WXINJUWGHVYFDL-DGTMBMJNSA-N 2 0 238.375 1.362 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000333281898 387025360 /nfs/dbraw/zinc/02/53/60/387025360.db2.gz MQHGKIRLNAYKIN-WCFLWFBJSA-N 2 0 248.374 1.374 20 0 BDADRP CC[C@@H](C)[N@@H+]1CCC[C@](O)(CN(C)C)C1 ZINC000639766715 387070000 /nfs/dbraw/zinc/07/00/00/387070000.db2.gz OLKZROSAKHJZHS-NEPJUHHUSA-N 2 0 214.353 1.173 20 0 BDADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCc1cccnc1 ZINC000111380886 387077692 /nfs/dbraw/zinc/07/76/92/387077692.db2.gz ONRBDRUNBOBSPW-CQSZACIVSA-N 2 0 233.359 1.827 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CCOC2)CC1 ZINC000020189301 387078063 /nfs/dbraw/zinc/07/80/63/387078063.db2.gz QHLWMZSGFDRCKW-LBPRGKRZSA-N 2 0 226.364 1.485 20 0 BDADRP Cc1nccn1CC[N@H+]1CCC[C@@H]1C[C@H](C)O ZINC000228122201 387078223 /nfs/dbraw/zinc/07/82/23/387078223.db2.gz GHRSXSLZPREYGH-WCQYABFASA-N 2 0 237.347 1.427 20 0 BDADRP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000228323494 387080380 /nfs/dbraw/zinc/08/03/80/387080380.db2.gz FJHAHZZJRYMPKO-IRCOFANPSA-N 2 0 246.420 1.206 20 0 BDADRP FC(F)COCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000188769555 387080496 /nfs/dbraw/zinc/08/04/96/387080496.db2.gz ZKVVTZIVFIKGFA-WDEREUQCSA-N 2 0 248.317 1.485 20 0 BDADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCOC2)CC1 ZINC000070967854 387084561 /nfs/dbraw/zinc/08/45/61/387084561.db2.gz YLEGZDUQFUXBET-GFCCVEGCSA-N 2 0 226.364 1.628 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCc2cccnc2)C1 ZINC000111695586 387085163 /nfs/dbraw/zinc/08/51/63/387085163.db2.gz RXVCTGGENBYTOL-OCCSQVGLSA-N 2 0 233.359 1.683 20 0 BDADRP C[NH2+]CCC[NH2+]Cc1ccc2ncccc2c1 ZINC000228395356 387092413 /nfs/dbraw/zinc/09/24/13/387092413.db2.gz DYTBHSCOFBFWQR-UHFFFAOYSA-N 2 0 229.327 1.934 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000423298875 387130141 /nfs/dbraw/zinc/13/01/41/387130141.db2.gz PBLZOVWFHYUUPX-BFHYXJOUSA-N 2 0 241.423 1.824 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1N[C@H]1CCC[NH2+]C1 ZINC000423305707 387142347 /nfs/dbraw/zinc/14/23/47/387142347.db2.gz CIPPMMLKEVAPBU-MROQNXINSA-N 2 0 225.380 1.057 20 0 BDADRP c1ccc(C[C@H]([NH2+]CC2C[NH2+]C2)C2CC2)cc1 ZINC000423308366 387143660 /nfs/dbraw/zinc/14/36/60/387143660.db2.gz XPUICCNBLXQUSR-HNNXBMFYSA-N 2 0 230.355 1.817 20 0 BDADRP Cn1ccc(C[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000085591136 387143903 /nfs/dbraw/zinc/14/39/03/387143903.db2.gz DVRIIIFOGQHIIF-UHFFFAOYSA-N 2 0 221.348 1.457 20 0 BDADRP CCC1(CC)[C@@H]([NH2+]CCCC[NH3+])C[C@@H]1OC ZINC000423315365 387155258 /nfs/dbraw/zinc/15/52/58/387155258.db2.gz ANLSEYNMQQMTPN-RYUDHWBXSA-N 2 0 228.380 1.909 20 0 BDADRP CCOCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000250382444 387156748 /nfs/dbraw/zinc/15/67/48/387156748.db2.gz IXRYQUSXQHHMJW-BFHYXJOUSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)C1CCOCC1 ZINC000423319153 387159727 /nfs/dbraw/zinc/15/97/27/387159727.db2.gz CZZGIUSUKUAQTO-OCCSQVGLSA-N 2 0 240.391 1.781 20 0 BDADRP CC[N@H+]1C[C@H](NC[C@@]2(C)CCC[NH2+]C2)[C@@H](C)C1 ZINC000423320054 387160740 /nfs/dbraw/zinc/16/07/40/387160740.db2.gz FAGOLIYDXYXDOG-IHRRRGAJSA-N 2 0 239.407 1.306 20 0 BDADRP C[C@H]1C[C@H](NCC2([NH3+])CCC2)C[N@@H+]1C1CC1 ZINC000423321344 387165675 /nfs/dbraw/zinc/16/56/75/387165675.db2.gz HISYTJULTXJXFS-QWRGUYRKSA-N 2 0 223.364 1.083 20 0 BDADRP C[C@]1(CN[C@@H]2CCCC[C@H]2C[NH3+])CCC[NH2+]C1 ZINC000423328390 387170757 /nfs/dbraw/zinc/17/07/57/387170757.db2.gz DNTNQJYBNABPAV-MJBXVCDLSA-N 2 0 239.407 1.483 20 0 BDADRP FCCC[C@@H]1CCC[C@@H]1[NH2+]CC1C[NH2+]C1 ZINC000423333942 387180842 /nfs/dbraw/zinc/18/08/42/387180842.db2.gz WKZIMHMATFUWDN-RYUDHWBXSA-N 2 0 214.328 1.714 20 0 BDADRP CC(C)(C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000300275479 387185769 /nfs/dbraw/zinc/18/57/69/387185769.db2.gz OWIFFZGPMKJYDD-RWMBFGLXSA-N 2 0 242.407 1.891 20 0 BDADRP CC(C)(C)C[C@H](O)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000300275478 387186090 /nfs/dbraw/zinc/18/60/90/387186090.db2.gz OWIFFZGPMKJYDD-AVGNSLFASA-N 2 0 242.407 1.891 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCOC(F)(F)F ZINC000229604970 387186022 /nfs/dbraw/zinc/18/60/22/387186022.db2.gz YDXQNUHJVIDENL-IUCAKERBSA-N 2 0 240.269 1.453 20 0 BDADRP COC[C@H]([NH2+]CC1([NH3+])CCC1)C1CCCC1 ZINC000423338329 387187589 /nfs/dbraw/zinc/18/75/89/387187589.db2.gz WBSGRYLIYSWEBZ-LBPRGKRZSA-N 2 0 226.364 1.663 20 0 BDADRP CCCC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371302001 387189209 /nfs/dbraw/zinc/18/92/09/387189209.db2.gz XGVPZUJKJLHMQC-MGPQQGTHSA-N 2 0 240.391 1.970 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2=CC[NH2+]CC2)CN1C1CC1 ZINC000423340356 387189827 /nfs/dbraw/zinc/18/98/27/387189827.db2.gz JKPMXQNTVQOMRV-DGCLKSJQSA-N 2 0 235.375 1.121 20 0 BDADRP COc1ccc([C@H](C)[NH2+]CCCC[NH3+])cc1O ZINC000423341903 387190932 /nfs/dbraw/zinc/19/09/32/387190932.db2.gz YENXJKIKRJGAAH-JTQLQIEISA-N 2 0 238.331 1.790 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423341752 387191011 /nfs/dbraw/zinc/19/10/11/387191011.db2.gz MUUSXMWUHDPBOG-OLZOCXBDSA-N 3 0 227.396 1.483 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000423304127 387137997 /nfs/dbraw/zinc/13/79/97/387137997.db2.gz JYUJLQLZYLVVOC-GWCFXTLKSA-N 2 0 234.343 1.954 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+]CC2C[NH2+]C2)C12CCC2 ZINC000423303616 387138134 /nfs/dbraw/zinc/13/81/34/387138134.db2.gz MCIIPDGOEIUZDO-NEPJUHHUSA-N 2 0 224.348 1.143 20 0 BDADRP Cc1ccc([C@@H](C)[NH2+]CC2C[NH2+]C2)s1 ZINC000423305316 387140614 /nfs/dbraw/zinc/14/06/14/387140614.db2.gz QORIMRXSBDWBFS-SECBINFHSA-N 2 0 210.346 1.927 20 0 BDADRP CC[C@H]([NH2+]CC1C[NH2+]C1)c1cccc(OC)c1 ZINC000423306446 387141061 /nfs/dbraw/zinc/14/10/61/387141061.db2.gz TWDLPBICYRKSDG-AWEZNQCLSA-N 2 0 234.343 1.955 20 0 BDADRP CC[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)[C@@H]1CCOC1 ZINC000423355068 387205747 /nfs/dbraw/zinc/20/57/47/387205747.db2.gz DUBSOVBEYQFQJE-UPJWGTAASA-N 2 0 226.364 1.533 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CC2=CC[NH2+]CC2)[C@H]2CCC[C@H]21 ZINC000423355242 387205946 /nfs/dbraw/zinc/20/59/46/387205946.db2.gz OSCOZKKZHSHQAL-QLFBSQMISA-N 3 0 249.402 1.369 20 0 BDADRP COC[C@@H]([NH2+]CC1=CC[NH2+]CC1)C1CCCC1 ZINC000423356275 387206891 /nfs/dbraw/zinc/20/68/91/387206891.db2.gz QGSURJCGNWQEKY-CQSZACIVSA-N 2 0 238.375 1.701 20 0 BDADRP CC[C@H]([NH2+]CC1=CC[NH2+]CC1)[C@H]1C[C@@H]1C ZINC000423357665 387207681 /nfs/dbraw/zinc/20/76/81/387207681.db2.gz SMPPFJLPBKKOOF-DRZSPHRISA-N 2 0 208.349 1.930 20 0 BDADRP C[C@H](NCC1=CC[NH2+]CC1)[C@@H]1CCCC[NH2+]1 ZINC000423357018 387207818 /nfs/dbraw/zinc/20/78/18/387207818.db2.gz RRBPXCMVZSBHDW-AAEUAGOBSA-N 2 0 223.364 1.026 20 0 BDADRP C(C[C@H]1CCC[NH2+]1)NC1CC[NH+](C2CC2)CC1 ZINC000423355585 387208285 /nfs/dbraw/zinc/20/82/85/387208285.db2.gz IHLSXABTWPPAMS-GFCCVEGCSA-N 2 0 237.391 1.345 20 0 BDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H](C[NH3+])C(C)C ZINC000300424442 387211348 /nfs/dbraw/zinc/21/13/48/387211348.db2.gz TXPMSMVGWISGFH-VXGBXAGGSA-N 2 0 243.395 1.064 20 0 BDADRP COC[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353500034 387214997 /nfs/dbraw/zinc/21/49/97/387214997.db2.gz VRJUGGLHNSNIRM-XJFOESAGSA-N 2 0 240.391 1.731 20 0 BDADRP CO[C@@H]1[C@H](C)[C@H]([NH2+]CC[C@H]2CCC[NH2+]2)C1(C)C ZINC000423364470 387216092 /nfs/dbraw/zinc/21/60/92/387216092.db2.gz OOTBVGFHSJWPNB-FVCCEPFGSA-N 2 0 240.391 1.778 20 0 BDADRP [NH3+]CC1(c2nc(C3([NH3+])CCC3)no2)CCCC1 ZINC000571999795 387217135 /nfs/dbraw/zinc/21/71/35/387217135.db2.gz AHUNPBVITYBIIJ-UHFFFAOYSA-N 2 0 236.319 1.178 20 0 BDADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000423365928 387217664 /nfs/dbraw/zinc/21/76/64/387217664.db2.gz CFFKMOJDJLFMHK-FMCLSXCISA-N 2 0 237.391 1.199 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423367793 387221979 /nfs/dbraw/zinc/22/19/79/387221979.db2.gz RKPKLHJBXHHITC-RQJABVFESA-N 2 0 239.407 1.447 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CCCO1 ZINC000423370422 387223674 /nfs/dbraw/zinc/22/36/74/387223674.db2.gz DEOYSYIDAHYXJM-WRWGMCAJSA-N 2 0 212.337 1.284 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1CCCO1 ZINC000423370420 387224447 /nfs/dbraw/zinc/22/44/47/387224447.db2.gz DEOYSYIDAHYXJM-KKOKHZNYSA-N 2 0 212.337 1.284 20 0 BDADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@H]1CC[NH2+]C[C@H]1C ZINC000423400867 387234832 /nfs/dbraw/zinc/23/48/32/387234832.db2.gz QKXDZTYNQIFCDV-XWUBHJNHSA-N 2 0 237.391 1.057 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C(C2CC2)C2CC2)CC[NH2+]1 ZINC000572112105 387237137 /nfs/dbraw/zinc/23/71/37/387237137.db2.gz DWMWQSQQXSXVOD-SKDRFNHKSA-N 2 0 208.349 1.905 20 0 BDADRP CC[C@@H]1CC[C@@H]1[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000423413607 387246556 /nfs/dbraw/zinc/24/65/56/387246556.db2.gz LAQSPKCJXJOSFS-AGIUHOORSA-N 2 0 226.364 1.533 20 0 BDADRP COC[C@@]1(C[NH2+]C2CC(C(C)C)C2)CCC[NH2+]1 ZINC000423416524 387248518 /nfs/dbraw/zinc/24/85/18/387248518.db2.gz QVXYVQZAMLGVTD-RUXDESIVSA-N 2 0 240.391 1.779 20 0 BDADRP CC[C@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)[C@@H]1C[C@@H]1C ZINC000423415824 387249034 /nfs/dbraw/zinc/24/90/34/387249034.db2.gz PMPUPTOYFXXADI-CRWXNKLISA-N 2 0 240.391 1.779 20 0 BDADRP COC[C@]1(C[NH2+][C@@H](C)C2(C)CC2)CCC[NH2+]1 ZINC000423416995 387249503 /nfs/dbraw/zinc/24/95/03/387249503.db2.gz GDOQBEMXTIUTRR-WCQYABFASA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccnn1C ZINC000423427579 387252085 /nfs/dbraw/zinc/25/20/85/387252085.db2.gz FZGFKEDRCIJJFZ-WCFLWFBJSA-N 2 0 248.374 1.459 20 0 BDADRP Cc1cncc([C@@H](C)[NH2+]CC2=CC[NH2+]CC2)c1 ZINC000423345213 387194237 /nfs/dbraw/zinc/19/42/37/387194237.db2.gz NTOXKDMMOOBWPB-GFCCVEGCSA-N 2 0 231.343 1.960 20 0 BDADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cnccc1N ZINC000423346199 387195900 /nfs/dbraw/zinc/19/59/00/387195900.db2.gz ZMCVGCYXJKWOIC-LLVKDONJSA-N 2 0 248.374 1.534 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2C[NH2+]CCC2(F)F)CC[N@@H+]1C ZINC000423467221 387315678 /nfs/dbraw/zinc/31/56/78/387315678.db2.gz DIGOQQMMMBLXTR-MXWKQRLJSA-N 2 0 247.333 1.056 20 0 BDADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCOCC1CC1 ZINC000352494771 387262656 /nfs/dbraw/zinc/26/26/56/387262656.db2.gz FOUJJUBAVYMRFI-ZDUSSCGKSA-N 2 0 226.364 1.616 20 0 BDADRP CC[NH2+][C@H](C)CN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000423382987 387264252 /nfs/dbraw/zinc/26/42/52/387264252.db2.gz OYNGGDVOYOWKMR-UTUOFQBUSA-N 2 0 213.369 1.057 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H]1NCCCC1(C)C ZINC000423391471 387276623 /nfs/dbraw/zinc/27/66/23/387276623.db2.gz PMISUJXWHTXCJD-NEPJUHHUSA-N 2 0 227.396 1.482 20 0 BDADRP CC[NH2+][C@H](C)CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000423391035 387276774 /nfs/dbraw/zinc/27/67/74/387276774.db2.gz PAQPMOCZZHZPSW-XJFOESAGSA-N 2 0 239.407 1.447 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+][C@@H](CC)[C@@H]1CCOC1 ZINC000423393601 387278777 /nfs/dbraw/zinc/27/87/77/387278777.db2.gz YYVCWDJUGYICBW-UTUOFQBUSA-N 2 0 214.353 1.389 20 0 BDADRP CO[C@@H](C)[C@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000360430817 387281568 /nfs/dbraw/zinc/28/15/68/387281568.db2.gz YMRRRQJTWVKSAK-RYUDHWBXSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000193144178 387282562 /nfs/dbraw/zinc/28/25/62/387282562.db2.gz ZBXQPPGVYJWPLM-BZPMIXESSA-N 2 0 242.407 1.713 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423431180 387284582 /nfs/dbraw/zinc/28/45/82/387284582.db2.gz LLLVYZPQRPUUPV-KWCYVHTRSA-N 3 0 239.407 1.482 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccn(C)n1 ZINC000423433658 387284659 /nfs/dbraw/zinc/28/46/59/387284659.db2.gz NHZYYBDISAQYLL-VHRBIJSZSA-N 2 0 248.374 1.459 20 0 BDADRP c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)CO2 ZINC000423431958 387284746 /nfs/dbraw/zinc/28/47/46/387284746.db2.gz MDEXXVIKNNMZMJ-CXTNEJHOSA-N 2 0 244.338 1.188 20 0 BDADRP c1ccc(C[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C2CC2)cc1 ZINC000423433019 387284787 /nfs/dbraw/zinc/28/47/87/387284787.db2.gz MSGDFTJNJMDFMQ-XUWVNRHRSA-N 2 0 242.366 1.815 20 0 BDADRP C[NH+](C)CCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000120958853 387285125 /nfs/dbraw/zinc/28/51/25/387285125.db2.gz QYEDONAEOUNJPX-UPJWGTAASA-N 2 0 238.375 1.485 20 0 BDADRP CC[NH2+]CCC[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000643499210 387286012 /nfs/dbraw/zinc/28/60/12/387286012.db2.gz INPOATKGRRDMDO-RYUDHWBXSA-N 2 0 214.353 1.533 20 0 BDADRP COC[C@@]1(C[NH2+][C@@H](C)C2CCCC2)CCC[NH2+]1 ZINC000423439091 387288494 /nfs/dbraw/zinc/28/84/94/387288494.db2.gz VEXFYDRLDBOVJD-JSGCOSHPSA-N 2 0 240.391 1.923 20 0 BDADRP CCC[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCC1 ZINC000423438046 387288857 /nfs/dbraw/zinc/28/88/57/387288857.db2.gz UWGNRTXQANMGDI-QNWHQSFQSA-N 2 0 208.349 1.763 20 0 BDADRP C1CC([C@@H]2CC[C@H]2[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000423441411 387290035 /nfs/dbraw/zinc/29/00/35/387290035.db2.gz YNDCKTUWZDAIST-KIJLLGNVSA-N 2 0 206.333 1.373 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](CCO)c2ccccc2)C1 ZINC000514799062 387295693 /nfs/dbraw/zinc/29/56/93/387295693.db2.gz SQWYXVUCEQXAFL-QLFBSQMISA-N 2 0 248.370 1.970 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])c1cnn(C)c1 ZINC000423445119 387295688 /nfs/dbraw/zinc/29/56/88/387295688.db2.gz XMIVCQDPLWZDFK-AAEUAGOBSA-N 2 0 238.379 1.978 20 0 BDADRP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H](C)CCC[NH3+] ZINC000423449182 387297669 /nfs/dbraw/zinc/29/76/69/387297669.db2.gz FYXRYCKSBPYXEC-NWDGAFQWSA-N 2 0 243.395 1.350 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000423450029 387300001 /nfs/dbraw/zinc/30/00/01/387300001.db2.gz HBTSKXBBYCFFOL-ZJUUUORDSA-N 2 0 225.311 1.999 20 0 BDADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C1(C)C ZINC000423451888 387300206 /nfs/dbraw/zinc/30/02/06/387300206.db2.gz GZOOMHOFPHMQLD-FHUSYTEZSA-N 2 0 238.375 1.386 20 0 BDADRP CCOC[C@@H]1CCC[C@H]1[NH2+][C@H](C)CCC[NH3+] ZINC000423453995 387301352 /nfs/dbraw/zinc/30/13/52/387301352.db2.gz LEDOZZDPHZACSO-FRRDWIJNSA-N 2 0 228.380 1.909 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000423455512 387303642 /nfs/dbraw/zinc/30/36/42/387303642.db2.gz CPBQWLGRGYKPOA-IGQOVBAYSA-N 2 0 240.391 1.909 20 0 BDADRP CCN1C[C@H]([NH2+][C@H](C)CCC[NH3+])[C@@H](C)C1 ZINC000423455315 387303963 /nfs/dbraw/zinc/30/39/63/387303963.db2.gz MKBBUQPEKIEXMO-TUAOUCFPSA-N 2 0 213.369 1.044 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]CCC[NH2+]C(C)C ZINC000514930517 387308238 /nfs/dbraw/zinc/30/82/38/387308238.db2.gz MYILGEFBWFGTNO-GHMZBOCLSA-N 2 0 202.342 1.388 20 0 BDADRP CC[C@@H]([NH2+]CCC[NH2+]C1CC1)[C@@H]1CCOC1 ZINC000423528004 387355138 /nfs/dbraw/zinc/35/51/38/387355138.db2.gz NHFYFNZTDGJXCB-DGCLKSJQSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1cccc(CO)c1 ZINC000423527084 387356938 /nfs/dbraw/zinc/35/69/38/387356938.db2.gz MCBXFEVECNECHT-LBPRGKRZSA-N 2 0 248.370 1.972 20 0 BDADRP C[NH2+]CCN(C)C(=O)c1ccccc1C[NH+](C)C ZINC000423528422 387357902 /nfs/dbraw/zinc/35/79/02/387357902.db2.gz WMVIQBXNOOHZLE-UHFFFAOYSA-N 2 0 249.358 1.040 20 0 BDADRP C[C@@H]1C[C@H](N[C@H](C[NH3+])C2CCCC2)CC[N@@H+]1C ZINC000423532936 387358000 /nfs/dbraw/zinc/35/80/00/387358000.db2.gz SDNCKAHMPLRZGQ-MRVWCRGKSA-N 2 0 239.407 1.576 20 0 BDADRP CC[C@H]1CCC[N@H+](C[C@](C)(O)C[NH2+]C)CC1 ZINC000515305618 387360828 /nfs/dbraw/zinc/36/08/28/387360828.db2.gz CEBUMBFIBUJULP-QWHCGFSZSA-N 2 0 228.380 1.469 20 0 BDADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000423536058 387362005 /nfs/dbraw/zinc/36/20/05/387362005.db2.gz GISGBXCANGHSGD-AAEUAGOBSA-N 3 0 223.364 1.026 20 0 BDADRP C[C@@H](NC[C@@H]1CCCC[NH2+]1)c1c[nH+]ccc1N ZINC000643502532 387366245 /nfs/dbraw/zinc/36/62/45/387366245.db2.gz JKTABLJWEREFFY-MNOVXSKESA-N 2 0 234.347 1.287 20 0 BDADRP CO[C@@H]1[C@H](C)[C@H]([NH2+]CCC[NH2+]C2CC2)C1(C)C ZINC000423549168 387370334 /nfs/dbraw/zinc/37/03/34/387370334.db2.gz HMRSLQAHAVHUQQ-KGYLQXTDSA-N 2 0 240.391 1.778 20 0 BDADRP C[C@@H]1C[C@@H](N[C@H]2CCCC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000423553662 387373138 /nfs/dbraw/zinc/37/31/38/387373138.db2.gz KQNYHZJUQCXYLN-FRRDWIJNSA-N 2 0 237.391 1.343 20 0 BDADRP CC[C@@H](NCCC[NH2+]C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423558652 387375697 /nfs/dbraw/zinc/37/56/97/387375697.db2.gz OGHCQIBLNNSXRC-OLZOCXBDSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423568586 387380947 /nfs/dbraw/zinc/38/09/47/387380947.db2.gz VPTRFWIYWYLVLH-WOPDTQHZSA-N 2 0 212.337 1.143 20 0 BDADRP COC[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)C(C)C ZINC000423476259 387321013 /nfs/dbraw/zinc/32/10/13/387321013.db2.gz RAKPGBJXUUEKJW-UPJWGTAASA-N 2 0 228.380 1.765 20 0 BDADRP Cc1cc(N)cc(C[NH2+][C@@H](C)CCC[NH3+])c1 ZINC000423475818 387321495 /nfs/dbraw/zinc/32/14/95/387321495.db2.gz JMUHNHFKCKPSMK-NSHDSACASA-N 2 0 221.348 1.794 20 0 BDADRP CC[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)[C@@H]1CCOC1 ZINC000423474809 387321853 /nfs/dbraw/zinc/32/18/53/387321853.db2.gz HNKPSIADOKTYIT-MCIONIFRSA-N 2 0 240.391 1.923 20 0 BDADRP COC[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)C(C)C ZINC000423476258 387322170 /nfs/dbraw/zinc/32/21/70/387322170.db2.gz RAKPGBJXUUEKJW-AVGNSLFASA-N 2 0 228.380 1.765 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000423475566 387322718 /nfs/dbraw/zinc/32/27/18/387322718.db2.gz QAYBHAZCRCHLJR-USZNOCQGSA-N 2 0 214.353 1.517 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1ccnn1C ZINC000423476768 387323687 /nfs/dbraw/zinc/32/36/87/387323687.db2.gz RJFAJQSZADVUOB-QJPTWQEYSA-N 2 0 236.363 1.588 20 0 BDADRP COC(=O)C(C)(C)CC[NH2+]CCCC[NH+](C)C ZINC000354198552 387345930 /nfs/dbraw/zinc/34/59/30/387345930.db2.gz JNMOCBDYBDMRKH-UHFFFAOYSA-N 2 0 244.379 1.507 20 0 BDADRP C[C@@H]1CN([C@@H]2CC[N@H+](C)C[C@H]2C)C[C@@]1(C)C[NH3+] ZINC000423516342 387351073 /nfs/dbraw/zinc/35/10/73/387351073.db2.gz WPEGXRKVEWMARA-AAVRWANBSA-N 3 0 239.407 1.243 20 0 BDADRP C[N@H+](CC[C@H]1CCC[NH+]1C)[C@H]1CCC[C@H]1O ZINC000352699401 387443483 /nfs/dbraw/zinc/44/34/83/387443483.db2.gz QRINWZYJSIESRI-FRRDWIJNSA-N 2 0 226.364 1.316 20 0 BDADRP Nc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000336562050 387388964 /nfs/dbraw/zinc/38/89/64/387388964.db2.gz XJYYLGADNWCFJI-STQMWFEESA-N 2 0 231.343 1.310 20 0 BDADRP Nc1cccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000336562047 387390247 /nfs/dbraw/zinc/39/02/47/387390247.db2.gz XJYYLGADNWCFJI-CHWSQXEVSA-N 2 0 231.343 1.310 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](CO)CC(F)(F)F)C1 ZINC000515671414 387410504 /nfs/dbraw/zinc/41/05/04/387410504.db2.gz IYKGKRPZRXWRMY-VGMNWLOBSA-N 2 0 240.269 1.159 20 0 BDADRP COC[C@H](CC(C)C)[NH2+]CC1CC[NH+](C)CC1 ZINC000361182413 387412304 /nfs/dbraw/zinc/41/23/04/387412304.db2.gz AHYYBNHJWFNMHJ-AWEZNQCLSA-N 2 0 242.407 1.979 20 0 BDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000423770403 387420791 /nfs/dbraw/zinc/42/07/91/387420791.db2.gz HKDIGEMHYABWTE-TUAOUCFPSA-N 2 0 243.395 1.206 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+][C@@H](C)CCC[NH3+])C1 ZINC000643475467 387508521 /nfs/dbraw/zinc/50/85/21/387508521.db2.gz WZIBCMNCBDWOET-QJPTWQEYSA-N 2 0 214.353 1.661 20 0 BDADRP CC(C)CCOCC[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000122322991 387514399 /nfs/dbraw/zinc/51/43/99/387514399.db2.gz XEZYKXFAZSAPEV-STQMWFEESA-N 2 0 228.380 1.718 20 0 BDADRP C[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000192766658 387536717 /nfs/dbraw/zinc/53/67/17/387536717.db2.gz BHGUNCJDHYMXCJ-YRGRVCCFSA-N 2 0 238.375 1.316 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)C(C)(C)C ZINC000361804914 387537072 /nfs/dbraw/zinc/53/70/72/387537072.db2.gz PLKFJIIBWCYJEB-FRRDWIJNSA-N 2 0 242.407 1.977 20 0 BDADRP [NH3+]CC1(O)CC[NH+](CCC2CCCC2)CC1 ZINC000397067763 387539703 /nfs/dbraw/zinc/53/97/03/387539703.db2.gz WHFCXROZIAAXEL-UHFFFAOYSA-N 2 0 226.364 1.352 20 0 BDADRP [NH3+]CCNC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424061257 387473464 /nfs/dbraw/zinc/47/34/64/387473464.db2.gz RSPDHGSXQKUEHR-LBPRGKRZSA-N 2 0 241.379 1.139 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000643470983 387478071 /nfs/dbraw/zinc/47/80/71/387478071.db2.gz DIRPBVWDSLQMJO-FQUUOJAGSA-N 2 0 240.391 1.645 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2CCC[NH2+][C@@H]2C)[C@@H](C)O1 ZINC000396708290 387483179 /nfs/dbraw/zinc/48/31/79/387483179.db2.gz OHPGQPVGAYPZDV-OOCWMUITSA-N 2 0 212.337 1.282 20 0 BDADRP [NH3+][C@@H]1C[C@H](NCC[NH2+]C2CC2)c2ccccc21 ZINC000643508107 387483708 /nfs/dbraw/zinc/48/37/08/387483708.db2.gz KXVWIELMWBJBFD-KGLIPLIRSA-N 2 0 231.343 1.473 20 0 BDADRP [NH3+][C@H]1C[C@@H](NCC[NH2+]C2CC2)c2ccccc21 ZINC000643508108 387484200 /nfs/dbraw/zinc/48/42/00/387484200.db2.gz KXVWIELMWBJBFD-UONOGXRCSA-N 2 0 231.343 1.473 20 0 BDADRP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000643511627 387593665 /nfs/dbraw/zinc/59/36/65/387593665.db2.gz PLOALQUSLJYSNK-AAEUAGOBSA-N 3 0 227.396 1.290 20 0 BDADRP C[C@@H]([NH2+]CC1(CO)CCCC1)[C@@H]1CCC[NH2+]1 ZINC000400742963 387595623 /nfs/dbraw/zinc/59/56/23/387595623.db2.gz UANMWXHNQWZZGA-NEPJUHHUSA-N 2 0 226.364 1.269 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]([NH3+])C2CCC2)cc1 ZINC000422541999 387596438 /nfs/dbraw/zinc/59/64/38/387596438.db2.gz PFTARSCFOBSEEZ-ZANVPECISA-N 2 0 247.342 1.772 20 0 BDADRP CCC([NH3+])(CC)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000643513488 387597952 /nfs/dbraw/zinc/59/79/52/387597952.db2.gz CNTCSLDJVBCQAG-LBPRGKRZSA-N 3 0 241.423 1.824 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000527532195 387598404 /nfs/dbraw/zinc/59/84/04/387598404.db2.gz JXHJIHMCTAKEMS-IJLUTSLNSA-N 2 0 223.364 1.131 20 0 BDADRP CCCC[C@H](CN)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000643514291 387599115 /nfs/dbraw/zinc/59/91/15/387599115.db2.gz DGEPXSWBWWOFMT-GXTWGEPZSA-N 2 0 241.423 1.824 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)C[NH3+])C1 ZINC000643514786 387599796 /nfs/dbraw/zinc/59/97/96/387599796.db2.gz DQFZNYSBLZVRQO-GARJFASQSA-N 2 0 200.326 1.128 20 0 BDADRP C[C@@H]1C[C@@H](C)[N@H+](CCOCC2CC2)C[C@H]1C[NH3+] ZINC000422635894 387610060 /nfs/dbraw/zinc/61/00/60/387610060.db2.gz LZXJLNXFNIIXIB-YRGRVCCFSA-N 2 0 240.391 1.718 20 0 BDADRP C[C@@H]([NH2+]CCc1c(F)cccc1F)C1C[NH2+]C1 ZINC000422692668 387612568 /nfs/dbraw/zinc/61/25/68/387612568.db2.gz KQXAKHUCZVMHLK-SECBINFHSA-N 2 0 240.297 1.705 20 0 BDADRP C[C@H](CCc1ccco1)[NH2+]CC1C[NH2+]C1 ZINC000643516022 387618826 /nfs/dbraw/zinc/61/88/26/387618826.db2.gz NHAYCKSMWYWGAL-SNVBAGLBSA-N 2 0 208.305 1.410 20 0 BDADRP CCCC[N@H+](C)CCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422707203 387620616 /nfs/dbraw/zinc/62/06/16/387620616.db2.gz GSTHYIVRRXRSJG-KGLIPLIRSA-N 2 0 241.423 1.696 20 0 BDADRP CCCCN(C)CC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422707523 387621378 /nfs/dbraw/zinc/62/13/78/387621378.db2.gz HNQACSMRKLGEGL-UHFFFAOYSA-N 2 0 241.423 1.825 20 0 BDADRP CC[C@@H]([NH2+]CC1(C)COC1)[C@@H]1CCC[NH2+]1 ZINC000422709919 387622677 /nfs/dbraw/zinc/62/26/77/387622677.db2.gz LGXPSWUNNRTGEX-MNOVXSKESA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCOCC2CC2)C1 ZINC000430537811 387625205 /nfs/dbraw/zinc/62/52/05/387625205.db2.gz HXSOEDTZCCEANX-AAEUAGOBSA-N 2 0 226.364 1.472 20 0 BDADRP CCCC[N@H+](C)CCN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422711396 387626125 /nfs/dbraw/zinc/62/61/25/387626125.db2.gz NBAPKSXJPDGYKY-OLZOCXBDSA-N 2 0 227.396 1.448 20 0 BDADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)[C@@H](C)OC ZINC000361924931 387552107 /nfs/dbraw/zinc/55/21/07/387552107.db2.gz NQFCBJPZSRAYHZ-JHJVBQTASA-N 2 0 246.395 1.356 20 0 BDADRP CC[C@H]([NH3+])C(=O)N[C@@H](C)CCC[NH+](CC)CC ZINC000036871242 387558394 /nfs/dbraw/zinc/55/83/94/387558394.db2.gz RLWUQXMGIZWQBP-RYUDHWBXSA-N 2 0 243.395 1.350 20 0 BDADRP C[N@H+](CC[C@H]1CCC[NH+]1C)CC(C)(C)O ZINC000305146254 387563710 /nfs/dbraw/zinc/56/37/10/387563710.db2.gz YGPKOPFHJJHPTM-LLVKDONJSA-N 2 0 214.353 1.173 20 0 BDADRP C[C@H]([NH2+]CCC[NH3+])c1ccc2c(c1)OCCO2 ZINC000037713257 387564488 /nfs/dbraw/zinc/56/44/88/387564488.db2.gz YIROPVTXANFYGG-JTQLQIEISA-N 2 0 236.315 1.457 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@H]1CCCOC1 ZINC000422717060 387631469 /nfs/dbraw/zinc/63/14/69/387631469.db2.gz OCSLUVQBDHYDED-JHJVBQTASA-N 2 0 226.364 1.663 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(N(C)C)c1 ZINC000422721156 387633661 /nfs/dbraw/zinc/63/36/61/387633661.db2.gz UTFNKXSCDTVPAD-RYUDHWBXSA-N 2 0 235.375 1.968 20 0 BDADRP COCCC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422728113 387635281 /nfs/dbraw/zinc/63/52/81/387635281.db2.gz FCELTJWXGUMGNR-QWRGUYRKSA-N 2 0 200.326 1.273 20 0 BDADRP CCCCOCCC[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422729549 387637582 /nfs/dbraw/zinc/63/75/82/387637582.db2.gz KWRQGXLSRQXWND-VXGBXAGGSA-N 2 0 216.369 1.909 20 0 BDADRP CC(C)CC[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000422728415 387638066 /nfs/dbraw/zinc/63/80/66/387638066.db2.gz GHLOEUQKDSDJNK-IJLUTSLNSA-N 2 0 214.353 1.374 20 0 BDADRP COc1ccc(C[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000422729164 387639164 /nfs/dbraw/zinc/63/91/64/387639164.db2.gz HLAGFHYXFXHDCR-SNVBAGLBSA-N 2 0 220.316 1.393 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCC1CC[NH+](C)CC1 ZINC000422733652 387640705 /nfs/dbraw/zinc/64/07/05/387640705.db2.gz BQOPTWVTRPUSTL-NWDGAFQWSA-N 3 0 227.396 1.434 20 0 BDADRP CC(C)CC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422733504 387640927 /nfs/dbraw/zinc/64/09/27/387640927.db2.gz QWXZRDBHEMBSDI-MGPQQGTHSA-N 2 0 240.391 1.779 20 0 BDADRP COc1ccc(CC[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000422736408 387643460 /nfs/dbraw/zinc/64/34/60/387643460.db2.gz WCKAGILGUGIYIM-RYUDHWBXSA-N 2 0 236.359 1.953 20 0 BDADRP COc1ccc(CC[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422736405 387643899 /nfs/dbraw/zinc/64/38/99/387643899.db2.gz WCKAGILGUGIYIM-NEPJUHHUSA-N 2 0 236.359 1.953 20 0 BDADRP CC[NH+](CC)CCCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422734173 387644077 /nfs/dbraw/zinc/64/40/77/387644077.db2.gz SDMZQKVNXXPJOK-UONOGXRCSA-N 2 0 241.423 1.968 20 0 BDADRP C[C@@H](O)[C@H]1CCCC[N@@H+]1CCCn1ccnc1 ZINC000305757027 387646820 /nfs/dbraw/zinc/64/68/20/387646820.db2.gz AQFKBVGVECTVEC-CHWSQXEVSA-N 2 0 237.347 1.509 20 0 BDADRP C[C@H](CN[C@H](C)[C@@H]1CCCC[NH2+]1)[N@H+](C)C1CC1 ZINC000422741495 387647726 /nfs/dbraw/zinc/64/77/26/387647726.db2.gz ONNBQKKKQUOKAJ-BZPMIXESSA-N 2 0 239.407 1.589 20 0 BDADRP CC[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422741110 387647907 /nfs/dbraw/zinc/64/79/07/387647907.db2.gz OATZFZMCKNKAQN-KGLIPLIRSA-N 3 0 239.407 1.448 20 0 BDADRP CC[NH+](CC)CCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422744864 387647963 /nfs/dbraw/zinc/64/79/63/387647963.db2.gz KYLVGYQWAXSRGO-QWHCGFSZSA-N 2 0 227.396 1.578 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000422746146 387649945 /nfs/dbraw/zinc/64/99/45/387649945.db2.gz VZYODZUUPXZBKQ-YRGRVCCFSA-N 2 0 237.391 1.201 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc(CO)c1 ZINC000422747808 387650687 /nfs/dbraw/zinc/65/06/87/387650687.db2.gz ZLPLMWVSFKFEHA-WFASDCNBSA-N 2 0 248.370 1.657 20 0 BDADRP C[C@@H](CCCCO)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000643518695 387652525 /nfs/dbraw/zinc/65/25/25/387652525.db2.gz LZNPGWZXVDIFCG-QWHCGFSZSA-N 2 0 228.380 1.517 20 0 BDADRP CC[C@H]([NH3+])C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000430887388 387659053 /nfs/dbraw/zinc/65/90/53/387659053.db2.gz FQMTYTKTCGXEMK-SRVKXCTJSA-N 2 0 241.379 1.103 20 0 BDADRP C[C@@H]1C[N@H+](CCN(C)c2ccccc2)CC[C@@H]1[NH3+] ZINC000430918482 387661129 /nfs/dbraw/zinc/66/11/29/387661129.db2.gz NEJRHVROUONIPJ-HIFRSBDPSA-N 2 0 247.386 1.792 20 0 BDADRP Cc1ccc(C[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000422763109 387664667 /nfs/dbraw/zinc/66/46/67/387664667.db2.gz ONTXYERKNRLBND-NSHDSACASA-N 2 0 204.317 1.693 20 0 BDADRP CC[N@@H+]1CCC[C@H]1CN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422764125 387664678 /nfs/dbraw/zinc/66/46/78/387664678.db2.gz UOBKQQRAOVDZPV-HZSPNIEDSA-N 2 0 239.407 1.591 20 0 BDADRP CN(CCC[NH2+][C@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000422763480 387665578 /nfs/dbraw/zinc/66/55/78/387665578.db2.gz OSLAWVLVMDYTTL-GJZGRUSLSA-N 2 0 247.386 1.982 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@@H](CO)Cc1ccccc1 ZINC000422765122 387666027 /nfs/dbraw/zinc/66/60/27/387666027.db2.gz QFXJCLFAVNQIOH-RRFJBIMHSA-N 2 0 248.370 1.307 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H](O)CC(C)(C)C ZINC000422766624 387667353 /nfs/dbraw/zinc/66/73/53/387667353.db2.gz SAKJUFDZGRJVDL-FRRDWIJNSA-N 2 0 242.407 1.761 20 0 BDADRP C[N@H+](CCN[C@@H]1CCC[C@@H]1[NH3+])Cc1ccccc1 ZINC000422767329 387667593 /nfs/dbraw/zinc/66/75/93/387667593.db2.gz RXOSYKAKWXWRMD-LSDHHAIUSA-N 2 0 247.386 1.588 20 0 BDADRP Cc1ccccc1C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422766442 387667613 /nfs/dbraw/zinc/66/76/13/387667613.db2.gz QBMYELYMAIACRM-NSHDSACASA-N 2 0 204.317 1.693 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400757579 387668233 /nfs/dbraw/zinc/66/82/33/387668233.db2.gz XLQNYODLPBOUSB-UPJWGTAASA-N 2 0 225.380 1.201 20 0 BDADRP CC[NH+]1CCC(N[C@H](C)c2c[nH+]ccc2N)CC1 ZINC000422768841 387668618 /nfs/dbraw/zinc/66/86/18/387668618.db2.gz OEOUDMNXFRMQJG-LLVKDONJSA-N 2 0 248.374 1.629 20 0 BDADRP COC(C)(C)[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000305947042 387668882 /nfs/dbraw/zinc/66/88/82/387668882.db2.gz GVJZDFHBGNTDQC-RYUDHWBXSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]1CCCC[N@@H+]1CCCN[C@@H]1CCC[C@@H]1[NH3+] ZINC000422774424 387671849 /nfs/dbraw/zinc/67/18/49/387671849.db2.gz WZFWKUGDTYCBDS-HZSPNIEDSA-N 2 0 239.407 1.720 20 0 BDADRP CC1CC[NH+](CCCN[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000422778107 387675550 /nfs/dbraw/zinc/67/55/50/387675550.db2.gz HFTYSYZOGUNCQQ-UONOGXRCSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@H]1CC[NH2+]C[C@H]1NCCC[NH+]1CCCC1 ZINC000422776914 387676153 /nfs/dbraw/zinc/67/61/53/387676153.db2.gz BEWMJCSZOFPXPC-QWHCGFSZSA-N 2 0 225.380 1.060 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C2C[NH2+]C2)C12CCC2 ZINC000422780026 387677173 /nfs/dbraw/zinc/67/71/73/387677173.db2.gz JQUWIKLDBGNAIU-WCFLWFBJSA-N 2 0 238.375 1.532 20 0 BDADRP CCCC[NH+]1CCC(N[C@H](C)C2C[NH2+]C2)CC1 ZINC000422780186 387678230 /nfs/dbraw/zinc/67/82/30/387678230.db2.gz JCHNBWTWBVPDFZ-GFCCVEGCSA-N 2 0 239.407 1.448 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[NH3+])C12CCC2 ZINC000422782855 387680177 /nfs/dbraw/zinc/68/01/77/387680177.db2.gz NLNMAKKDKXKYQW-FVCCEPFGSA-N 2 0 238.375 1.804 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000422781063 387680488 /nfs/dbraw/zinc/68/04/88/387680488.db2.gz KDEIHARKUHFWGZ-YFKTTZPYSA-N 2 0 214.353 1.253 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1NCCC[NH+]1CCCC1 ZINC000422784481 387684612 /nfs/dbraw/zinc/68/46/12/387684612.db2.gz MGPIYRUXNSRSPA-KBPBESRZSA-N 2 0 239.407 1.722 20 0 BDADRP COCCOCCC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422784108 387684658 /nfs/dbraw/zinc/68/46/58/387684658.db2.gz LVSBYRFHSCOLOL-QWHCGFSZSA-N 2 0 244.379 1.017 20 0 BDADRP CC(C)COCCC[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422786963 387687361 /nfs/dbraw/zinc/68/73/61/387687361.db2.gz PKFGDJSRFXKGFO-RYUDHWBXSA-N 2 0 214.353 1.519 20 0 BDADRP CC(C)[C@@H](O)CC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422786539 387687636 /nfs/dbraw/zinc/68/76/36/387687636.db2.gz SLPYIKXSBUPSMH-BPCQOVAHSA-N 2 0 228.380 1.501 20 0 BDADRP CC(C)COCCC[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422786964 387687804 /nfs/dbraw/zinc/68/78/04/387687804.db2.gz PKFGDJSRFXKGFO-VXGBXAGGSA-N 2 0 214.353 1.519 20 0 BDADRP CCC[NH+]1CCC(C[NH2+][C@H](C)CCC[NH3+])CC1 ZINC000422743539 387690541 /nfs/dbraw/zinc/69/05/41/387690541.db2.gz RQXORLDICHRSDE-CYBMUJFWSA-N 3 0 241.423 1.825 20 0 BDADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@@H]1CCCOC1 ZINC000356902899 387743360 /nfs/dbraw/zinc/74/33/60/387743360.db2.gz RVJJALCLYXCDIZ-GXTWGEPZSA-N 2 0 238.375 1.653 20 0 BDADRP C[C@H](CN[C@@H]1CCC[C@@H]1[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC000422862918 387743856 /nfs/dbraw/zinc/74/38/56/387743856.db2.gz OFAPJCXSGMWNMR-YIYPIFLZSA-N 2 0 239.407 1.576 20 0 BDADRP C[C@H](CN[C@@H](C)C1C[NH2+]C1)[N@@H+]1CCCC[C@H]1C ZINC000422860302 387744220 /nfs/dbraw/zinc/74/42/20/387744220.db2.gz LIWCHEHGOKFIAX-UPJWGTAASA-N 2 0 239.407 1.447 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2CCC[C@H]2C[NH3+])C[N@@H+]1C1CC1 ZINC000422863804 387746603 /nfs/dbraw/zinc/74/66/03/387746603.db2.gz MBHYSJFDLURPIO-UHXUPSOCSA-N 2 0 237.391 1.329 20 0 BDADRP C[C@@H]1CCC[N@H+](CCN[C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000422864851 387746742 /nfs/dbraw/zinc/74/67/42/387746742.db2.gz WMCXWQYLFNHDIO-RDBSUJKOSA-N 2 0 239.407 1.306 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000422872005 387750460 /nfs/dbraw/zinc/75/04/60/387750460.db2.gz FHKILTWYZILHBK-OUCADQQQSA-N 2 0 239.407 1.576 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000422872004 387750826 /nfs/dbraw/zinc/75/08/26/387750826.db2.gz FHKILTWYZILHBK-BZPMIXESSA-N 2 0 239.407 1.576 20 0 BDADRP C[C@H]1C[C@H](N[C@H]2C[NH2+]CC[C@H]2C)C[N@@H+]1C1CC1 ZINC000422871873 387750921 /nfs/dbraw/zinc/75/09/21/387750921.db2.gz ZXQXANVCUAXFRP-UHXUPSOCSA-N 2 0 237.391 1.199 20 0 BDADRP CC[N@H+](CCN[C@H](C)C[C@@H](C)[NH3+])C1CC1 ZINC000422876907 387756429 /nfs/dbraw/zinc/75/64/29/387756429.db2.gz GRKZTBBYPVUQPH-GHMZBOCLSA-N 2 0 213.369 1.186 20 0 BDADRP CC[C@H](Cc1ccccc1)[NH2+]C[C@H](C)[NH3+] ZINC000643525673 387752227 /nfs/dbraw/zinc/75/22/27/387752227.db2.gz AAHUQFDSSJVUCH-WCQYABFASA-N 2 0 206.333 1.945 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCS1 ZINC000422872845 387753070 /nfs/dbraw/zinc/75/30/70/387753070.db2.gz IVIJVLUYEPEJNU-OPRDCNLKSA-N 2 0 200.351 1.351 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCCS1)[C@H]1CCC[NH2+]1 ZINC000422874963 387753208 /nfs/dbraw/zinc/75/32/08/387753208.db2.gz OIEKDRBIQFEPNX-GMTAPVOTSA-N 2 0 214.378 1.612 20 0 BDADRP Cc1nc(C)c(C[NH2+]C[C@H]2CCCN2C)s1 ZINC000123458914 387698859 /nfs/dbraw/zinc/69/88/59/387698859.db2.gz BVGKTAXPOQMEHW-LLVKDONJSA-N 2 0 239.388 1.944 20 0 BDADRP CC(C)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000363218023 387699557 /nfs/dbraw/zinc/69/95/57/387699557.db2.gz DXCAXNNPOBQSAK-ZDUSSCGKSA-N 2 0 225.380 1.107 20 0 BDADRP C(C1CCCC1)[N@@H+]1CC[C@H](N[C@H]2CC[NH2+]C2)C1 ZINC000422796371 387700498 /nfs/dbraw/zinc/70/04/98/387700498.db2.gz JEKQIWGGQYENJV-KBPBESRZSA-N 2 0 237.391 1.202 20 0 BDADRP CCSCC[C@H](C)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422804912 387702714 /nfs/dbraw/zinc/70/27/14/387702714.db2.gz IIGPNNVGYGEJFZ-UWVGGRQHSA-N 2 0 216.394 1.716 20 0 BDADRP CO[C@H](C[NH2+]C1CCC(C[NH3+])CC1)C(C)C ZINC000422801878 387703190 /nfs/dbraw/zinc/70/31/90/387703190.db2.gz CKOOGIZKIFVGNU-WXRRBKDZSA-N 2 0 228.380 1.765 20 0 BDADRP C(C[NH+]1CCCCC1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422806975 387704183 /nfs/dbraw/zinc/70/41/83/387704183.db2.gz JESFSVZGRLDSAC-PBWFPOADSA-N 2 0 237.391 1.345 20 0 BDADRP CC(C)CCC[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000422806256 387704657 /nfs/dbraw/zinc/70/46/57/387704657.db2.gz NESQBVUSSQOWSI-FRRDWIJNSA-N 2 0 228.380 1.765 20 0 BDADRP C[C@H]1CC[NH2+]C[C@H]1NCC[NH+]1CCCCCC1 ZINC000422807821 387706227 /nfs/dbraw/zinc/70/62/27/387706227.db2.gz NHCGVDSWGNCSMT-UONOGXRCSA-N 2 0 239.407 1.450 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NCC[NH+]1CCCCC1 ZINC000422807944 387706649 /nfs/dbraw/zinc/70/66/49/387706649.db2.gz KMVOJYZAPRRCEE-RYUDHWBXSA-N 2 0 213.369 1.188 20 0 BDADRP CC(C)C[NH+]1CCC([NH2+][C@@H](C)CCC[NH3+])CC1 ZINC000422818417 387713317 /nfs/dbraw/zinc/71/33/17/387713317.db2.gz KKYUPWCODLHLGE-ZDUSSCGKSA-N 3 0 241.423 1.824 20 0 BDADRP CCC[N@H+](CC)CCN[C@H]1C[NH2+]CC[C@@H]1C ZINC000422818303 387713737 /nfs/dbraw/zinc/71/37/37/387713737.db2.gz GBAFMISQXBYMMS-STQMWFEESA-N 2 0 227.396 1.306 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCc1cn2ccccc2n1 ZINC000422816492 387713969 /nfs/dbraw/zinc/71/39/69/387713969.db2.gz FLKQPFTUKVKAEQ-STQMWFEESA-N 2 0 244.342 1.346 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1NCC[NH+]1CCCCC1 ZINC000422814785 387715119 /nfs/dbraw/zinc/71/51/19/387715119.db2.gz WBMPQYICCJVQIP-ZIAGYGMSSA-N 2 0 239.407 1.722 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCOCc1ccccc1 ZINC000422819615 387717610 /nfs/dbraw/zinc/71/76/10/387717610.db2.gz IPQUXAFDNGWNEA-KBPBESRZSA-N 2 0 234.343 1.673 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCCSC1 ZINC000422818983 387717803 /nfs/dbraw/zinc/71/78/03/387717803.db2.gz LWLZCJYNEDKPHL-LPEHRKFASA-N 2 0 202.367 1.597 20 0 BDADRP CC[N@H+](CCN[C@H]1CCCC[C@@H]1C[NH3+])C(C)C ZINC000422878976 387755456 /nfs/dbraw/zinc/75/54/56/387755456.db2.gz LPEDEWGNDTXWPK-KGLIPLIRSA-N 2 0 241.423 1.824 20 0 BDADRP C[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000422826223 387719514 /nfs/dbraw/zinc/71/95/14/387719514.db2.gz BWYITTKGILZKKP-MBNYWOFBSA-N 2 0 237.391 1.201 20 0 BDADRP [NH3+]CC1CCC([NH2+]CCc2cccnc2)CC1 ZINC000422824726 387719878 /nfs/dbraw/zinc/71/98/78/387719878.db2.gz HYLIWSCFHHTGMI-UHFFFAOYSA-N 2 0 233.359 1.731 20 0 BDADRP C[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000422826222 387720756 /nfs/dbraw/zinc/72/07/56/387720756.db2.gz BWYITTKGILZKKP-DYEKYZERSA-N 2 0 237.391 1.201 20 0 BDADRP Cc1nccn1CC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422830294 387724479 /nfs/dbraw/zinc/72/44/79/387724479.db2.gz CKFKHSUWXSZXDK-STQMWFEESA-N 2 0 236.363 1.441 20 0 BDADRP CCC[N@H+](CC)CCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000422832549 387726308 /nfs/dbraw/zinc/72/63/08/387726308.db2.gz XYAMMMLXJOCLHO-KBPBESRZSA-N 2 0 241.423 1.696 20 0 BDADRP CCC[N@H+](CC)CCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422832552 387726858 /nfs/dbraw/zinc/72/68/58/387726858.db2.gz XYAMMMLXJOCLHO-ZIAGYGMSSA-N 2 0 241.423 1.696 20 0 BDADRP C[C@H]([NH2+]CCCNc1ccccn1)[C@H]1CCC[NH2+]1 ZINC000422837961 387728720 /nfs/dbraw/zinc/72/87/20/387728720.db2.gz NGBLXNRFNWVGRC-QWHCGFSZSA-N 2 0 248.374 1.614 20 0 BDADRP C[C@H]([NH2+]CCCNc1ccccn1)[C@@H]1CCC[NH2+]1 ZINC000422837962 387729273 /nfs/dbraw/zinc/72/92/73/387729273.db2.gz NGBLXNRFNWVGRC-STQMWFEESA-N 2 0 248.374 1.614 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCc1cc(F)cc(F)c1 ZINC000422844254 387730497 /nfs/dbraw/zinc/73/04/97/387730497.db2.gz LIGWSAUVRFLXAL-CHWSQXEVSA-N 2 0 240.297 1.977 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCc1nccs1 ZINC000422841752 387731266 /nfs/dbraw/zinc/73/12/66/387731266.db2.gz WWFQJWWPTBOWQY-WDEREUQCSA-N 2 0 239.388 1.935 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCc1nccs1 ZINC000422841750 387731754 /nfs/dbraw/zinc/73/17/54/387731754.db2.gz WWFQJWWPTBOWQY-MNOVXSKESA-N 2 0 239.388 1.935 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)C1(C)C ZINC000422849386 387734196 /nfs/dbraw/zinc/73/41/96/387734196.db2.gz LTTRTUCAXRRJHO-QNWHQSFQSA-N 2 0 240.391 1.778 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)CCC[NH3+])N1CCC[C@@H](C)C1 ZINC000422855563 387737069 /nfs/dbraw/zinc/73/70/69/387737069.db2.gz FCWKSFFXUFLEFR-HZSPNIEDSA-N 2 0 241.423 1.824 20 0 BDADRP Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000643524157 387737999 /nfs/dbraw/zinc/73/79/99/387737999.db2.gz RKBISGDMKYNEKU-INTQDDNPSA-N 2 0 222.336 1.639 20 0 BDADRP CC(C)[C@H]([NH3+])CNC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000422855484 387738546 /nfs/dbraw/zinc/73/85/46/387738546.db2.gz VPHRMCXGXHDLKC-GXFFZTMASA-N 2 0 249.358 1.419 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000422852747 387738871 /nfs/dbraw/zinc/73/88/71/387738871.db2.gz BFANLPIPXZVKEX-RFGFWPKPSA-N 3 0 241.423 1.822 20 0 BDADRP Cc1nc(CC[NH2+][C@@H]2CCC[C@H]2[NH3+])sc1C ZINC000422890758 387764046 /nfs/dbraw/zinc/76/40/46/387764046.db2.gz JDNSXOYJGHPDFT-GHMZBOCLSA-N 2 0 239.388 1.772 20 0 BDADRP C[C@@H](NCC[N@H+]1[C@H](C)CCC[C@@H]1C)C1C[NH2+]C1 ZINC000422892431 387764420 /nfs/dbraw/zinc/76/44/20/387764420.db2.gz YNYLHUIDMYPZCY-FRRDWIJNSA-N 2 0 239.407 1.447 20 0 BDADRP CCN1CCCC[C@@H]1C[NH2+][C@@H](C)CCC[NH3+] ZINC000422911902 387772084 /nfs/dbraw/zinc/77/20/84/387772084.db2.gz UUQKKKUQKRQNFT-QWHCGFSZSA-N 2 0 227.396 1.578 20 0 BDADRP C[C@H](C[NH3+])CNC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000441615193 387772651 /nfs/dbraw/zinc/77/26/51/387772651.db2.gz SOBXYLNRSMSYIS-WZRBSPASSA-N 2 0 249.358 1.034 20 0 BDADRP CCO[C@@]1(C)C[C@H]1[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000527975237 387813587 /nfs/dbraw/zinc/81/35/87/387813587.db2.gz SKACMEXZNXQANE-ITGHMWBKSA-N 2 0 240.391 1.872 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000422919082 387775497 /nfs/dbraw/zinc/77/54/97/387775497.db2.gz JCVKUIVSMMOBGV-HBNTYKKESA-N 2 0 241.379 1.101 20 0 BDADRP C[C@H]([NH2+][C@H]1C[C@@H]1Cc1ccccc1)C1C[NH2+]C1 ZINC000422921882 387777274 /nfs/dbraw/zinc/77/72/74/387777274.db2.gz PIYIVVFBJUFPBD-WHOFXGATSA-N 2 0 230.355 1.815 20 0 BDADRP CC[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)[C@@H]1CCC[NH2+]1 ZINC000422925701 387779325 /nfs/dbraw/zinc/77/93/25/387779325.db2.gz BLCBKQVFTXZLOZ-SCRDCRAPSA-N 2 0 248.374 1.387 20 0 BDADRP CCCC1(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])CC1 ZINC000422932515 387781247 /nfs/dbraw/zinc/78/12/47/387781247.db2.gz ZITDCBXMLWGBHF-RWMBFGLXSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1CC=CC1 ZINC000527945424 387782401 /nfs/dbraw/zinc/78/24/01/387782401.db2.gz RCMJDFMVJFTTNM-DGCLKSJQSA-N 2 0 208.349 1.882 20 0 BDADRP COC[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])C1CC1 ZINC000422937547 387782908 /nfs/dbraw/zinc/78/29/08/387782908.db2.gz OFHOFLWDWSTUIJ-YWVKMMECSA-N 2 0 200.326 1.127 20 0 BDADRP C[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000422899669 387785648 /nfs/dbraw/zinc/78/56/48/387785648.db2.gz IBFQQMRIRLDDQN-NDBYEHHHSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000422902697 387786893 /nfs/dbraw/zinc/78/68/93/387786893.db2.gz VANOIOMUWMSSIM-SYQHCUMBSA-N 2 0 237.391 1.201 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCC1CC(O)C1 ZINC000432419011 387788340 /nfs/dbraw/zinc/78/83/40/387788340.db2.gz YGTPFZMCWGALMH-KPHYFBGPSA-N 2 0 240.391 1.466 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCC1CC(O)C1 ZINC000432419009 387788566 /nfs/dbraw/zinc/78/85/66/387788566.db2.gz YGTPFZMCWGALMH-AYZDXNEBSA-N 2 0 240.391 1.466 20 0 BDADRP CS[C@H](CO)[C@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422977102 387789545 /nfs/dbraw/zinc/78/95/45/387789545.db2.gz JLXCRKCHAWZTFP-WNYYMSAVSA-N 2 0 246.420 1.206 20 0 BDADRP CC(C)N1C[C@H](C)[C@H]([NH2+][C@H](C)CCC[NH3+])C1 ZINC000422987107 387795276 /nfs/dbraw/zinc/79/52/76/387795276.db2.gz FFAGDCFJLOKWBK-YNEHKIRRSA-N 2 0 227.396 1.432 20 0 BDADRP C[C@H]1C[C@@H](C[NH2+]C2CCC(C[NH3+])CC2)CCO1 ZINC000422985702 387795384 /nfs/dbraw/zinc/79/53/84/387795384.db2.gz FVXUBVPRVQVBRV-AHPWVWPOSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC23CC(C2)CO3)CC[N@@H+]1C ZINC000527980425 387798222 /nfs/dbraw/zinc/79/82/22/387798222.db2.gz KAVIKMCVNZSHRW-GMKTYKIGSA-N 2 0 224.348 1.238 20 0 BDADRP c1ccc(NCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1 ZINC000422990434 387799581 /nfs/dbraw/zinc/79/95/81/387799581.db2.gz CACGSDNSZKNVGN-FUNVUKJBSA-N 2 0 246.358 1.366 20 0 BDADRP C1=CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000422993232 387800903 /nfs/dbraw/zinc/80/09/03/387800903.db2.gz RHIREJRFLPWGIY-ACJTYDJDSA-N 2 0 206.333 1.968 20 0 BDADRP CCOCCC1(C[NH2+][C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000423002794 387802152 /nfs/dbraw/zinc/80/21/52/387802152.db2.gz JSEDVMCTARTOLN-RYUDHWBXSA-N 2 0 226.364 1.663 20 0 BDADRP CC(C)[N@@H+](C)CCCN[C@H](C)C[C@@H](C)[NH3+] ZINC000422963150 387813275 /nfs/dbraw/zinc/81/32/75/387813275.db2.gz HRPIBUXEQUJDNJ-VXGBXAGGSA-N 2 0 215.385 1.432 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(CCO)CCC1 ZINC000422994790 387803491 /nfs/dbraw/zinc/80/34/91/387803491.db2.gz WFKTWHRNJMUDAA-STQMWFEESA-N 2 0 240.391 1.517 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)CCO1 ZINC000422999335 387804930 /nfs/dbraw/zinc/80/49/30/387804930.db2.gz XSQVMBIGPQHPDI-REWJHTLYSA-N 2 0 240.391 1.779 20 0 BDADRP CC[C@H](CN[C@@H](C)C[C@H](C)[NH3+])[NH+]1CCCC1 ZINC000422964133 387813485 /nfs/dbraw/zinc/81/34/85/387813485.db2.gz KJNVMSAJIUWBHM-RWMBFGLXSA-N 2 0 227.396 1.576 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000442604247 387808717 /nfs/dbraw/zinc/80/87/17/387808717.db2.gz XKYPZUMCSWWSBS-WCQYABFASA-N 2 0 241.379 1.091 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000442604245 387808759 /nfs/dbraw/zinc/80/87/59/387808759.db2.gz XKYPZUMCSWWSBS-AAEUAGOBSA-N 2 0 241.379 1.091 20 0 BDADRP CSC1(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000193815652 387809457 /nfs/dbraw/zinc/80/94/57/387809457.db2.gz LYYBHGTXPHINNL-QWRGUYRKSA-N 2 0 228.405 1.954 20 0 BDADRP CC(C)[N@H+](C)CCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422882528 387757374 /nfs/dbraw/zinc/75/73/74/387757374.db2.gz SMNSRPVSWGNUNQ-QWHCGFSZSA-N 2 0 227.396 1.304 20 0 BDADRP CC[N@H+](CCN[C@@H]1C[NH2+]CC[C@H]1C)C1CC1 ZINC000422882463 387758016 /nfs/dbraw/zinc/75/80/16/387758016.db2.gz SIRKYMFUGKFYFP-DGCLKSJQSA-N 2 0 225.380 1.058 20 0 BDADRP Cc1nc(C)c(CC[NH2+][C@@H]2CCC[C@@H]2[NH3+])s1 ZINC000422888558 387760996 /nfs/dbraw/zinc/76/09/96/387760996.db2.gz NGTJWRCFWMTLLP-WDEREUQCSA-N 2 0 239.388 1.772 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)[C@@H]1CCC[NH2+]1 ZINC000422887631 387761226 /nfs/dbraw/zinc/76/12/26/387761226.db2.gz LDBZJGHUGZUBTD-MEBFFEOJSA-N 2 0 238.375 1.674 20 0 BDADRP C[C@H]([NH3+])CN(CCO)[C@@H]1CCCc2ccccc21 ZINC000442666882 387819937 /nfs/dbraw/zinc/81/99/37/387819937.db2.gz XDXAKVBDOTVARV-SWLSCSKDSA-N 2 0 248.370 1.706 20 0 BDADRP [NH3+]C1(c2noc([C@@H]3CC34CC[NH2+]CC4)n2)CCC1 ZINC000564085559 387825408 /nfs/dbraw/zinc/82/54/08/387825408.db2.gz XSJZUCUZZHISSX-VIFPVBQESA-N 2 0 248.330 1.265 20 0 BDADRP CC(C)[C@H](O)C(C)(C)C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000423003207 387827253 /nfs/dbraw/zinc/82/72/53/387827253.db2.gz LBNSGFVCELLGCS-AVGNSLFASA-N 2 0 242.407 1.747 20 0 BDADRP C[C@@H](CO)[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423004794 387827286 /nfs/dbraw/zinc/82/72/86/387827286.db2.gz KUICJFAACWYWHP-ZDEQEGDKSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)[C@@H]1CCC[NH2+]1 ZINC000423004075 387827392 /nfs/dbraw/zinc/82/73/92/387827392.db2.gz JCMPIHOPPVFZLQ-CYDGBPFRSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCc2cn(C)cn2)CC[N@@H+]1C ZINC000313313859 387828324 /nfs/dbraw/zinc/82/83/24/387828324.db2.gz ZSGGOFHFLBSNCA-NWDGAFQWSA-N 2 0 236.363 1.035 20 0 BDADRP CC(C)c1nnc([C@@H](C)[NH2+][C@@H](C)CCC[NH3+])[nH]1 ZINC000423009142 387831505 /nfs/dbraw/zinc/83/15/05/387831505.db2.gz CHPFACCDWYEZSM-VHSXEESVSA-N 2 0 239.367 1.706 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[NH+](CC(C)C)CC1 ZINC000055083696 387831661 /nfs/dbraw/zinc/83/16/61/387831661.db2.gz BWRJEAPMPKJTFG-AWEZNQCLSA-N 2 0 241.423 1.633 20 0 BDADRP CC(C)CSCCC[NH2+][C@H](C)C1C[NH2+]C1 ZINC000423009008 387831744 /nfs/dbraw/zinc/83/17/44/387831744.db2.gz BNPCFRFKONBQJW-LLVKDONJSA-N 2 0 230.421 1.963 20 0 BDADRP C[C@@H]([NH2+]CC12CCC(CC1)C2)C1C[NH2+]C1 ZINC000423010536 387833187 /nfs/dbraw/zinc/83/31/87/387833187.db2.gz GTYYHTZTQQWMNB-XSRFYTQQSA-N 2 0 208.349 1.764 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H](O)C1)[C@@H]1CCCC[NH2+]1 ZINC000423010100 387833427 /nfs/dbraw/zinc/83/34/27/387833427.db2.gz WYYTUBNNADSIGZ-FQUUOJAGSA-N 2 0 240.391 1.658 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cccc(N(C)C)n1 ZINC000423011297 387833567 /nfs/dbraw/zinc/83/35/67/387833567.db2.gz IORWHDCABAOKJI-NSHDSACASA-N 2 0 236.363 1.365 20 0 BDADRP C[C@H](CCO)C1(C[NH2+][C@H]2CCC[C@@H]2[NH3+])CCC1 ZINC000423015002 387838277 /nfs/dbraw/zinc/83/82/77/387838277.db2.gz JUOJNPMOBHREIS-AGIUHOORSA-N 2 0 240.391 1.645 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)CCC[NH3+])[C@@H](O)C(F)(F)F ZINC000423015968 387838302 /nfs/dbraw/zinc/83/83/02/387838302.db2.gz ARQZSJISWJPFDL-XHNCKOQMSA-N 2 0 242.285 1.405 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000423015247 387838482 /nfs/dbraw/zinc/83/84/82/387838482.db2.gz QOEORXVTPXHPSZ-YNEHKIRRSA-N 2 0 228.380 1.645 20 0 BDADRP CC(C)[C@H](O)C1(C[NH2+][C@H](C)C[C@H](C)[NH3+])CC1 ZINC000423018262 387840828 /nfs/dbraw/zinc/84/08/28/387840828.db2.gz QNSZNGZNKGFHDI-TUAOUCFPSA-N 2 0 228.380 1.499 20 0 BDADRP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)C1(C)C ZINC000423019087 387841076 /nfs/dbraw/zinc/84/10/76/387841076.db2.gz TYFCTHFSRNWPCR-NAWOPXAZSA-N 2 0 240.391 1.776 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000423026877 387842723 /nfs/dbraw/zinc/84/27/23/387842723.db2.gz CKGZBKAQRZFRGA-YFKTTZPYSA-N 2 0 213.369 1.185 20 0 BDADRP CC1(C)C[C@@H]1[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423027734 387844290 /nfs/dbraw/zinc/84/42/90/387844290.db2.gz POQFPFSOLGINEF-LOWDOPEQSA-N 2 0 238.375 1.532 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1cncc(F)c1 ZINC000423032885 387848298 /nfs/dbraw/zinc/84/82/98/387848298.db2.gz NJOKIKFPTBCUOC-ZJUUUORDSA-N 2 0 225.311 1.999 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC[C@H]1CCCO1 ZINC000643459703 387848862 /nfs/dbraw/zinc/84/88/62/387848862.db2.gz SYYNXTXRBSDZMX-JHJVBQTASA-N 2 0 226.364 1.805 20 0 BDADRP C[C@@H]1[C@@H]([NH2+]C2CCC(C[NH3+])CC2)CCCN1C ZINC000423037692 387850825 /nfs/dbraw/zinc/85/08/25/387850825.db2.gz WQEGRJGSJRHQGX-RYSNWHEDSA-N 3 0 239.407 1.576 20 0 BDADRP C[C@@H]([NH2+][C@@H](CCO)C(C)(C)C)[C@H]1CCC[NH2+]1 ZINC000423035437 387851238 /nfs/dbraw/zinc/85/12/38/387851238.db2.gz JKYRCPSOONRHEX-UTUOFQBUSA-N 2 0 228.380 1.514 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCOC)[C@H](C)C1 ZINC000151653463 387874111 /nfs/dbraw/zinc/87/41/11/387874111.db2.gz WOICKGYDXCLTFQ-VXGBXAGGSA-N 2 0 214.353 1.343 20 0 BDADRP CC[C@H]1CCC[C@H]1[NH2+]CCOCC[NH2+]C ZINC000629529354 387874126 /nfs/dbraw/zinc/87/41/26/387874126.db2.gz AJFOYDUBOQDQGY-NWDGAFQWSA-N 2 0 214.353 1.391 20 0 BDADRP Cn1ccc(CC[NH2+][C@H]2CCCCC[C@H]2[NH3+])n1 ZINC000423040330 387852993 /nfs/dbraw/zinc/85/29/93/387852993.db2.gz TXBDLDNHEMUURM-OLZOCXBDSA-N 2 0 236.363 1.212 20 0 BDADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCCOC1)[C@H]1CCC[NH2+]1 ZINC000423040809 387853159 /nfs/dbraw/zinc/85/31/59/387853159.db2.gz IAFVKNMKBIPRLI-ZDEQEGDKSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCCO1 ZINC000423043941 387854782 /nfs/dbraw/zinc/85/47/82/387854782.db2.gz QEGSGEZCKZNPCH-SYCZCVCYSA-N 2 0 238.375 1.817 20 0 BDADRP C[C@@H](C[NH+]1CCCCCC1)N[C@H]1CC[NH2+]C1 ZINC000423045095 387855822 /nfs/dbraw/zinc/85/58/22/387855822.db2.gz BKOQHUXERASUAI-STQMWFEESA-N 2 0 225.380 1.202 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](CCO)C(C)(C)C ZINC000423041157 387856102 /nfs/dbraw/zinc/85/61/02/387856102.db2.gz WGFMUNZZNLDVIH-DCAQKATOSA-N 2 0 216.369 1.499 20 0 BDADRP Cc1ccccc1C[C@H](CO)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000423053222 387861902 /nfs/dbraw/zinc/86/19/02/387861902.db2.gz AAOGWJNCYJAHIO-SWLSCSKDSA-N 2 0 248.370 1.096 20 0 BDADRP Cc1ccccc1C[C@@H](CO)[NH2+]C1CC[NH2+]CC1 ZINC000423055864 387862157 /nfs/dbraw/zinc/86/21/57/387862157.db2.gz DTHQBDNXLNDFHX-HNNXBMFYSA-N 2 0 248.370 1.240 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)C(F)(F)F ZINC000423056107 387862286 /nfs/dbraw/zinc/86/22/86/387862286.db2.gz XCQUYNODEVGDER-HRDYMLBCSA-N 2 0 224.270 1.772 20 0 BDADRP CC[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)C1CC1 ZINC000643536754 387862732 /nfs/dbraw/zinc/86/27/32/387862732.db2.gz WGZHLSOKSCXEOH-VXGBXAGGSA-N 2 0 208.349 1.907 20 0 BDADRP CC(C)O[C@@H]1C[C@H]([NH2+]C2CC[NH2+]CC2)C1(C)C ZINC000423053977 387862814 /nfs/dbraw/zinc/86/28/14/387862814.db2.gz TZCVTJZCWPPDLH-QWHCGFSZSA-N 2 0 240.391 1.920 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1COc2ccc(F)cc21 ZINC000423054366 387863433 /nfs/dbraw/zinc/86/34/33/387863433.db2.gz UQBXIEIXGUZZOX-JOYOIKCWSA-N 2 0 238.306 1.976 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)[C@@H]1C ZINC000643535740 387863738 /nfs/dbraw/zinc/86/37/38/387863738.db2.gz IICGJQBHDKXSQK-WISYIIOYSA-N 2 0 208.349 1.763 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000423059909 387864973 /nfs/dbraw/zinc/86/49/73/387864973.db2.gz NCTLZTOIGYERGP-YVECIDJPSA-N 2 0 226.364 1.661 20 0 BDADRP Cc1ccc(C[C@H](CO)[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000423060913 387865083 /nfs/dbraw/zinc/86/50/83/387865083.db2.gz PSQDXARLKGIDGM-ILXRZTDVSA-N 2 0 248.370 1.368 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)[C@@H]1CCCC[NH2+]1 ZINC000423060346 387865147 /nfs/dbraw/zinc/86/51/47/387865147.db2.gz HVOLBTJFLHMPTI-RFQIPJPRSA-N 2 0 240.391 1.658 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000423073288 387874575 /nfs/dbraw/zinc/87/45/75/387874575.db2.gz ILRJBRDONHMLGS-CHWSQXEVSA-N 2 0 241.423 1.824 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)[C@H]1C[C@H]1C ZINC000643535878 387865202 /nfs/dbraw/zinc/86/52/02/387865202.db2.gz KIZZGGLWDONMKN-NOOOWODRSA-N 2 0 208.349 1.763 20 0 BDADRP Cc1ccc(C[C@H](CO)[NH2+][C@H]2CCC[C@H]2[NH3+])cc1 ZINC000423060914 387865706 /nfs/dbraw/zinc/86/57/06/387865706.db2.gz PSQDXARLKGIDGM-KFWWJZLASA-N 2 0 248.370 1.368 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643535901 387866321 /nfs/dbraw/zinc/86/63/21/387866321.db2.gz KVUGDAPPDVMNDP-RWMBFGLXSA-N 3 0 237.391 1.236 20 0 BDADRP C[C@H](N[C@@H]1CC12CC[NH2+]CC2)[C@H]1CCCC[NH2+]1 ZINC000643535855 387866588 /nfs/dbraw/zinc/86/65/88/387866588.db2.gz JWDGDHCQNIULNB-YNEHKIRRSA-N 2 0 237.391 1.249 20 0 BDADRP C[C@H]1CC[NH2+]C[C@H]1NCC1([NH+](C)C)CCC1 ZINC000423063195 387867372 /nfs/dbraw/zinc/86/73/72/387867372.db2.gz VXVFOPFWRJGLMK-NWDGAFQWSA-N 2 0 225.380 1.058 20 0 BDADRP CC[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)[C@@H]1CCC[NH2+]1 ZINC000643536261 387867699 /nfs/dbraw/zinc/86/76/99/387867699.db2.gz PIHKCBDVOVWVFS-FRRDWIJNSA-N 3 0 237.391 1.249 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CCC[C@H]1CCO)[C@@H]1CCC[NH2+]1 ZINC000423062040 387868259 /nfs/dbraw/zinc/86/82/59/387868259.db2.gz MGUSJRLDQOMPPK-FQUUOJAGSA-N 2 0 240.391 1.658 20 0 BDADRP CCOC[C@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423067408 387869138 /nfs/dbraw/zinc/86/91/38/387869138.db2.gz ZKOAUYCVQJLJJW-UNXYVOJBSA-N 2 0 214.353 1.519 20 0 BDADRP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000423067470 387870288 /nfs/dbraw/zinc/87/02/88/387870288.db2.gz HEPQVTBSUJDMAZ-QNWHQSFQSA-N 2 0 226.364 1.804 20 0 BDADRP Cc1ccccc1C[NH+]1CCN(C[C@@H](C)[NH3+])CC1 ZINC000442656164 387814330 /nfs/dbraw/zinc/81/43/30/387814330.db2.gz DVZVIGRLLJZJDE-CQSZACIVSA-N 2 0 247.386 1.460 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1ccccc1O ZINC000422967223 387816497 /nfs/dbraw/zinc/81/64/97/387816497.db2.gz BSSWQIHBADUVSM-OCCSQVGLSA-N 2 0 248.370 1.912 20 0 BDADRP COc1cc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)ccn1 ZINC000422968290 387816985 /nfs/dbraw/zinc/81/69/85/387816985.db2.gz WEMDFIKNVVUBEB-AAEUAGOBSA-N 2 0 249.358 1.568 20 0 BDADRP CCC[C@H](C)[NH2+]C[C@H](C)N1CC[NH+](CC)CC1 ZINC000053487630 387818281 /nfs/dbraw/zinc/81/82/81/387818281.db2.gz MOEDYFUGTSGJRP-KBPBESRZSA-N 2 0 241.423 1.791 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422968788 387819798 /nfs/dbraw/zinc/81/97/98/387819798.db2.gz XSEXQEGWNPJCMT-UHFFFAOYSA-N 3 0 241.423 1.824 20 0 BDADRP CCC[N@@H+]1CCC[C@H]1CN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000423104216 387889840 /nfs/dbraw/zinc/88/98/40/387889840.db2.gz GWGVPDXYXLOEDS-HZSPNIEDSA-N 2 0 239.407 1.578 20 0 BDADRP CC[C@@H]([NH2+]CCCOC(F)F)[C@@H]1CCC[NH2+]1 ZINC000423114138 387896793 /nfs/dbraw/zinc/89/67/93/387896793.db2.gz LNRPKTOWIZSSMK-ZJUUUORDSA-N 2 0 236.306 1.736 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCOC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000423080296 387876163 /nfs/dbraw/zinc/87/61/63/387876163.db2.gz ZLTNCOBGSBGQLD-DDHJBXDOSA-N 2 0 212.337 1.142 20 0 BDADRP C[C@@H](NC[C@@H]1[N@H+](C)CCCC1(C)C)C1C[NH2+]C1 ZINC000423085183 387877886 /nfs/dbraw/zinc/87/78/86/387877886.db2.gz JYAFECFJMMQXIN-YPMHNXCESA-N 2 0 239.407 1.304 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@@H]1CCC[C@@H]1[NH3+] ZINC000423084027 387878039 /nfs/dbraw/zinc/87/80/39/387878039.db2.gz HABBINULQZYILW-GRYCIOLGSA-N 2 0 213.369 1.186 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000423088840 387880483 /nfs/dbraw/zinc/88/04/83/387880483.db2.gz QXAZHXOWWUUGSW-RYUDHWBXSA-N 3 0 239.407 1.576 20 0 BDADRP Cc1cscc1C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000423090153 387882841 /nfs/dbraw/zinc/88/28/41/387882841.db2.gz UPEGQUYZGMAYHS-VIFPVBQESA-N 2 0 210.346 1.754 20 0 BDADRP CCC[N@@H+]1CCC[C@H]1CN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423116120 387899057 /nfs/dbraw/zinc/89/90/57/387899057.db2.gz ZPJMGJAPMFLHLB-RDBSUJKOSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)NC1CC([NH+]2CCCCC2)C1 ZINC000423096436 387884791 /nfs/dbraw/zinc/88/47/91/387884791.db2.gz OVFJGBIFVCBMGF-IWMBGFJWSA-N 2 0 239.407 1.719 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000423140392 387918766 /nfs/dbraw/zinc/91/87/66/387918766.db2.gz YBTJDIRWOAUDOP-QWRGUYRKSA-N 2 0 237.347 1.955 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc2cc[nH]c2n1 ZINC000423121338 387900851 /nfs/dbraw/zinc/90/08/51/387900851.db2.gz IJTDZUXTAQJTQR-NXEZZACHSA-N 2 0 232.331 1.778 20 0 BDADRP CC[C@H]([NH2+]CCCCF)[C@@H]1CCC[NH2+]1 ZINC000423142235 387919230 /nfs/dbraw/zinc/91/92/30/387919230.db2.gz USRICNUNNCIQHN-QWRGUYRKSA-N 2 0 202.317 1.856 20 0 BDADRP CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000423120955 387901560 /nfs/dbraw/zinc/90/15/60/387901560.db2.gz ACOMJNXZDJTNAK-SDDRHHMPSA-N 2 0 241.379 1.008 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000423163794 387919239 /nfs/dbraw/zinc/91/92/39/387919239.db2.gz NKCVDOAHHVYEAK-FVCCEPFGSA-N 2 0 226.364 1.661 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+][C@H]2CCCOC2)c2ccccc21 ZINC000423123255 387902792 /nfs/dbraw/zinc/90/27/92/387902792.db2.gz KUXJKMIIFIGTHT-BPNCWPANSA-N 2 0 232.327 1.900 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H](CO)CC1CCC1 ZINC000423130625 387908067 /nfs/dbraw/zinc/90/80/67/387908067.db2.gz MZNBIUXFMOKRCT-ZYHUDNBSSA-N 2 0 214.353 1.255 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H](F)C1 ZINC000423132814 387909623 /nfs/dbraw/zinc/90/96/23/387909623.db2.gz UYZSOUWVLIZPTE-MMWGEVLESA-N 2 0 200.301 1.594 20 0 BDADRP COCC1(CC[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)CCC1 ZINC000423133365 387910319 /nfs/dbraw/zinc/91/03/19/387910319.db2.gz KCSCAQDHIXLFAC-OLZOCXBDSA-N 2 0 240.391 1.923 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)[C@@H]1CCC[NH2+]1 ZINC000423136052 387913522 /nfs/dbraw/zinc/91/35/22/387913522.db2.gz YRSQDBIIYOOSMA-WYUUTHIRSA-N 2 0 214.328 1.997 20 0 BDADRP COc1nccc(C[NH2+][C@H](C)CCCC[NH3+])n1 ZINC000423151079 387930370 /nfs/dbraw/zinc/93/03/70/387930370.db2.gz ZTJYFMGIXNNXNG-SNVBAGLBSA-N 2 0 238.335 1.092 20 0 BDADRP CC[C@H]([NH2+]C[C@@H](CO)C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000423143579 387920488 /nfs/dbraw/zinc/92/04/88/387920488.db2.gz XKQHVDNSNPEDLE-IHRRRGAJSA-N 2 0 240.391 1.515 20 0 BDADRP C[C@H]([NH2+]C[C@@H](CO)C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000423142768 387920545 /nfs/dbraw/zinc/92/05/45/387920545.db2.gz VWJLEPXZGXRVHP-DRZSPHRISA-N 2 0 226.364 1.125 20 0 BDADRP C[C@@H]([NH2+][C@H](CO)C1CCCC1)[C@H]1CCC[NH2+]1 ZINC000423143530 387921553 /nfs/dbraw/zinc/92/15/53/387921553.db2.gz XBOHWZAOIBTCFG-RAIGVLPGSA-N 2 0 226.364 1.268 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000423144755 387921580 /nfs/dbraw/zinc/92/15/80/387921580.db2.gz HWFNWFRVCCOKRO-FIQHERPVSA-N 2 0 214.328 1.984 20 0 BDADRP CC(F)(F)CCC[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000423145975 387923064 /nfs/dbraw/zinc/92/30/64/387923064.db2.gz NHQGWVDHWAXHRX-BDAKNGLRSA-N 2 0 206.280 1.891 20 0 BDADRP C[C@H](CCO)CC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000423146085 387923418 /nfs/dbraw/zinc/92/34/18/387923418.db2.gz NYGHVQLTIXOAES-AVGNSLFASA-N 2 0 228.380 1.373 20 0 BDADRP CC[C@H]([NH2+]CC[C@H](C)CCO)[C@@H]1CCC[NH2+]1 ZINC000423147348 387925695 /nfs/dbraw/zinc/92/56/95/387925695.db2.gz RUFMSFQSDIOCTN-AVGNSLFASA-N 2 0 228.380 1.515 20 0 BDADRP CCC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)OC ZINC000423149974 387927314 /nfs/dbraw/zinc/92/73/14/387927314.db2.gz YISPMJALBWWBRW-ZGVCCVRISA-N 2 0 226.364 1.674 20 0 BDADRP C[C@@H]([NH2+]CCCC1CCOCC1)[C@H]1CCC[NH2+]1 ZINC000423150025 387927741 /nfs/dbraw/zinc/92/77/41/387927741.db2.gz YLWCKZCFEJXBNY-TZMCWYRMSA-N 2 0 240.391 1.923 20 0 BDADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H](C)C2C[NH2+]C2)CCO1 ZINC000423158137 387938790 /nfs/dbraw/zinc/93/87/90/387938790.db2.gz WJTCOUSWYSMCOB-SCRDCRAPSA-N 2 0 240.391 1.635 20 0 BDADRP CC(C)[C@@H]1C[C@@H](C[NH2+][C@H](C)C2C[NH2+]C2)CCO1 ZINC000423158135 387938911 /nfs/dbraw/zinc/93/89/11/387938911.db2.gz WJTCOUSWYSMCOB-DYEKYZERSA-N 2 0 240.391 1.635 20 0 BDADRP Cc1cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])ccn1 ZINC000423159351 387939126 /nfs/dbraw/zinc/93/91/26/387939126.db2.gz OXBRPSFDTWONTL-VHSXEESVSA-N 2 0 207.321 1.605 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)C(C)(C)C[NH3+])c1 ZINC000424244249 387941857 /nfs/dbraw/zinc/94/18/57/387941857.db2.gz QMROFAHVYDTMIP-UHFFFAOYSA-N 2 0 235.331 1.377 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000423159755 387942097 /nfs/dbraw/zinc/94/20/97/387942097.db2.gz GGBSONZHUJGTER-CYDGBPFRSA-N 2 0 208.349 1.750 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCN1CC=CCC1 ZINC000392241315 387944800 /nfs/dbraw/zinc/94/48/00/387944800.db2.gz KLSKHFSDKFFDCE-ZIAGYGMSSA-N 2 0 237.391 1.355 20 0 BDADRP CO[C@@H]([C@H](C)[NH2+][C@H](C)C[C@@H](C)[NH3+])C1CC1 ZINC000423163945 387946304 /nfs/dbraw/zinc/94/63/04/387946304.db2.gz RVZPCVWZTHHEBS-SVDPJWKOSA-N 2 0 214.353 1.515 20 0 BDADRP CCN(C)C(=O)[C@@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])C(C)C ZINC000423163988 387946684 /nfs/dbraw/zinc/94/66/84/387946684.db2.gz WIQCOMIWYQCKDX-UTUOFQBUSA-N 2 0 243.395 1.205 20 0 BDADRP CC[C@@H](O)[C@H](CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423165738 387947746 /nfs/dbraw/zinc/94/77/46/387947746.db2.gz UUQLUMKFWSHTRC-GJHMDTBVSA-N 2 0 226.364 1.409 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000423166675 387949500 /nfs/dbraw/zinc/94/95/00/387949500.db2.gz VRLUZAMIMVJPDT-WUHRBBMRSA-N 2 0 226.364 1.255 20 0 BDADRP COCCCC[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424282684 387950251 /nfs/dbraw/zinc/95/02/51/387950251.db2.gz AAKCGKQNLNXJND-ZDUSSCGKSA-N 2 0 240.391 1.877 20 0 BDADRP COCC[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000423172370 387959328 /nfs/dbraw/zinc/95/93/28/387959328.db2.gz SMOBSKQHIRILRP-RWMBFGLXSA-N 2 0 228.380 1.766 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000423172448 387959646 /nfs/dbraw/zinc/95/96/46/387959646.db2.gz SYCKXIODLJABKH-TZMCWYRMSA-N 3 0 244.342 1.551 20 0 BDADRP CC[C@H](C)C[N@H+]1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424302645 387961781 /nfs/dbraw/zinc/96/17/81/387961781.db2.gz YAIBZCQTWKNWNH-WCFLWFBJSA-N 2 0 236.363 1.193 20 0 BDADRP CCOC[C@@H]1CCC[C@H]1[NH2+]CCC[NH3+] ZINC000423181091 387967561 /nfs/dbraw/zinc/96/75/61/387967561.db2.gz FJCLCNIDTUYXGC-WDEREUQCSA-N 2 0 200.326 1.130 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCCC[C@H]1F ZINC000423184135 387969048 /nfs/dbraw/zinc/96/90/48/387969048.db2.gz MZQOGNPKKOLENL-LNFKQOIKSA-N 2 0 202.317 1.983 20 0 BDADRP COc1ccc([C@H](NCC[NH3+])[C@@H]2CCC[NH2+]2)cc1 ZINC000423183675 387969295 /nfs/dbraw/zinc/96/92/95/387969295.db2.gz LORYNWVJSFZXDR-KBPBESRZSA-N 2 0 249.358 1.037 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])C12CCC2 ZINC000423170299 387957028 /nfs/dbraw/zinc/95/70/28/387957028.db2.gz LOERFLUXBFCNFU-WHOHXGKFSA-N 2 0 226.364 1.659 20 0 BDADRP COCC[C@H](C)C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000423171289 387957238 /nfs/dbraw/zinc/95/72/38/387957238.db2.gz NZRJTADURBURKS-YNEHKIRRSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)[C@H]1CCC[NH2+]1 ZINC000423170885 387957707 /nfs/dbraw/zinc/95/77/07/387957707.db2.gz NAEWIVHUIZEIFZ-MGPQQGTHSA-N 3 0 239.407 1.448 20 0 BDADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1CCC[NH2+]C1 ZINC000423195493 387979333 /nfs/dbraw/zinc/97/93/33/387979333.db2.gz SSCGBXDQFOZERN-AEGPPILISA-N 2 0 247.386 1.287 20 0 BDADRP COCC1CCC([NH2+][C@@H]2CC[NH2+]C2)CC1 ZINC000423189420 387974614 /nfs/dbraw/zinc/97/46/14/387974614.db2.gz QZRXKLRVYMCQML-HTAVTVPLSA-N 2 0 212.337 1.143 20 0 BDADRP CSCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000106869005 387975183 /nfs/dbraw/zinc/97/51/83/387975183.db2.gz NSCSCYWATGKUSD-VXGBXAGGSA-N 2 0 228.405 1.956 20 0 BDADRP C[N@@H+]1CC[C@H](NC2CC[NH2+]CC2)[C@H]2CCC[C@H]21 ZINC000423191487 387975516 /nfs/dbraw/zinc/97/55/16/387975516.db2.gz UFVYZTFIAOBQKD-HZSPNIEDSA-N 2 0 237.391 1.201 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CS1 ZINC000423191436 387976475 /nfs/dbraw/zinc/97/64/75/387976475.db2.gz SWQIIHLMSRLROL-NXQJVVEESA-N 2 0 226.389 1.753 20 0 BDADRP [NH3+]CCC[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000423192594 387977958 /nfs/dbraw/zinc/97/79/58/387977958.db2.gz PTHYANITMKBCLN-JHJVBQTASA-N 2 0 226.364 1.520 20 0 BDADRP C[C@H]1CCCC[C@H]1[NH+]1CCC(NCC[NH3+])CC1 ZINC000423192867 387977975 /nfs/dbraw/zinc/97/79/75/387977975.db2.gz VFKBZCANNGURPB-GXTWGEPZSA-N 2 0 239.407 1.578 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cnn(C)c1 ZINC000423203527 387989426 /nfs/dbraw/zinc/98/94/26/387989426.db2.gz CLKUPRSHHLHVGN-AAEUAGOBSA-N 2 0 236.363 1.460 20 0 BDADRP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCC[NH3+] ZINC000423197230 387981943 /nfs/dbraw/zinc/98/19/43/387981943.db2.gz YMGROEXRIOAHKP-ZANVPECISA-N 2 0 222.307 1.997 20 0 BDADRP CCC1(CC)[C@H]([NH2+]CCC[NH2+]C)C[C@H]1OC ZINC000423198724 387983299 /nfs/dbraw/zinc/98/32/99/387983299.db2.gz HLVRTQJADOUUAV-VXGBXAGGSA-N 2 0 228.380 1.779 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+]CCC[NH2+]C)C12CCC2 ZINC000423197678 387984858 /nfs/dbraw/zinc/98/48/58/387984858.db2.gz ANWMBBUFCMRWMQ-RYUDHWBXSA-N 2 0 226.364 1.533 20 0 BDADRP Cc1ccc([C@@H](C)[NH2+]CCN2CC[NH2+]CC2)o1 ZINC000423199705 387986070 /nfs/dbraw/zinc/98/60/70/387986070.db2.gz CEKDPHPGYDQMCM-GFCCVEGCSA-N 2 0 237.347 1.144 20 0 BDADRP CCCC[C@@H](C)[C@@H](C)[NH2+]CCN1CC[NH2+]CC1 ZINC000423199214 387986387 /nfs/dbraw/zinc/98/63/87/387986387.db2.gz AULOAGZZBTVUTR-ZIAGYGMSSA-N 2 0 241.423 1.696 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000424372375 387996827 /nfs/dbraw/zinc/99/68/27/387996827.db2.gz GXOMAVRUVZSUSG-UJPOAAIJSA-N 2 0 208.349 1.763 20 0 BDADRP C[NH2+]CCC[N@H+](C)CC[C@H]1CCCCO1 ZINC000420397652 387997496 /nfs/dbraw/zinc/99/74/96/387997496.db2.gz XSXJJXFCXUFBSG-GFCCVEGCSA-N 2 0 214.353 1.487 20 0 BDADRP C1C[C@@H]([NH2+][C@H]2CCC[C@@H]([C@@H]3CCOC3)C2)C[NH2+]1 ZINC000423214185 387997950 /nfs/dbraw/zinc/99/79/50/387997950.db2.gz MGHJNHAPLLYXMD-YIYPIFLZSA-N 2 0 238.375 1.533 20 0 BDADRP CCc1cccc(C[NH+]2CCC(O)(C[NH3+])CC2)c1 ZINC000420398939 388000026 /nfs/dbraw/zinc/00/00/26/388000026.db2.gz ASLAVGASMKNANJ-UHFFFAOYSA-N 2 0 248.370 1.535 20 0 BDADRP COc1ccnc(C[NH2+][C@H](C)CCCC[NH3+])n1 ZINC000424383949 388001219 /nfs/dbraw/zinc/00/12/19/388001219.db2.gz URUMBTWPMBGQEK-SNVBAGLBSA-N 2 0 238.335 1.092 20 0 BDADRP CO[C@@H](C)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000309660317 388001397 /nfs/dbraw/zinc/00/13/97/388001397.db2.gz RCRPCHGWEGNHJG-NSHDSACASA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H](Cc1cnccn1)[NH2+][C@H]1CCCN(C)[C@H]1C ZINC000453195192 388006672 /nfs/dbraw/zinc/00/66/72/388006672.db2.gz PENRRDRYOSRWKG-DYEKYZERSA-N 2 0 248.374 1.480 20 0 BDADRP Cc1ccncc1[C@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC000423225236 388007241 /nfs/dbraw/zinc/00/72/41/388007241.db2.gz LVAXGGCZSWCSBD-QWRGUYRKSA-N 2 0 207.321 1.778 20 0 BDADRP CCOC[C@@H]1CCC[C@H]1[NH2+]CC[C@@H](C)[NH3+] ZINC000423226211 388010099 /nfs/dbraw/zinc/01/00/99/388010099.db2.gz PTTMLAWQXAQTTN-GRYCIOLGSA-N 2 0 214.353 1.519 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156619780 388010573 /nfs/dbraw/zinc/01/05/73/388010573.db2.gz GIKJYUZLIXAAKB-JHJVBQTASA-N 2 0 228.380 1.467 20 0 BDADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC[C@H](C)[NH3+])[C@H]1C ZINC000423227823 388013212 /nfs/dbraw/zinc/01/32/12/388013212.db2.gz XEAXPEJAXKXSKK-BJDJZHNGSA-N 2 0 242.363 1.291 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000423228406 388013988 /nfs/dbraw/zinc/01/39/88/388013988.db2.gz ZLZHICYQMQXHPZ-RFQIPJPRSA-N 2 0 240.391 1.909 20 0 BDADRP [NH3+][C@@H]1C[C@H](NC[C@@H]2CCC[NH2+]2)c2ccccc21 ZINC000423230490 388015808 /nfs/dbraw/zinc/01/58/08/388015808.db2.gz DTECSZIJYKTCNH-GDLCADMTSA-N 2 0 231.343 1.473 20 0 BDADRP CC[NH2+]CCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423229363 388015827 /nfs/dbraw/zinc/01/58/27/388015827.db2.gz AZOKSELZJAAVRQ-OLZOCXBDSA-N 2 0 219.332 1.330 20 0 BDADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H]1CCC[NH2+]1 ZINC000423237230 388021380 /nfs/dbraw/zinc/02/13/80/388021380.db2.gz PSQNSIYJLXVMLJ-CFVMTHIKSA-N 2 0 247.386 1.287 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)[C@@H]1CCCC[NH2+]1 ZINC000423238445 388023001 /nfs/dbraw/zinc/02/30/01/388023001.db2.gz AKEWJBHMQKWAEU-AVGNSLFASA-N 3 0 225.380 1.106 20 0 BDADRP COc1ccc(C[NH2+][C@@H](C)CC[NH3+])cc1 ZINC000066147950 388023387 /nfs/dbraw/zinc/02/33/87/388023387.db2.gz IWWBJLWKOYKMQN-JTQLQIEISA-N 2 0 208.305 1.522 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccccn2)CC1 ZINC000082474685 388035547 /nfs/dbraw/zinc/03/55/47/388035547.db2.gz XWWVMIYCZODZKS-LLVKDONJSA-N 2 0 219.332 1.641 20 0 BDADRP [NH3+]C[C@H]1CCC[N@H+](C[C@H]2CCSC2)C1 ZINC000261527387 135151358 /nfs/dbraw/zinc/15/13/58/135151358.db2.gz ALGJTEJIFNXTPV-GHMZBOCLSA-N 2 0 214.378 1.410 20 0 BDADRP C[NH2+]C[C@H](C)CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423256395 388036549 /nfs/dbraw/zinc/03/65/49/388036549.db2.gz BUVYLFJSVAGMPD-GDLCADMTSA-N 2 0 233.359 1.576 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423256078 388037104 /nfs/dbraw/zinc/03/71/04/388037104.db2.gz DJTGVOPWYRTZPQ-HZSPNIEDSA-N 3 0 239.407 1.306 20 0 BDADRP CC(C)C[C@H](C[NH3+])N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423258614 388038655 /nfs/dbraw/zinc/03/86/55/388038655.db2.gz CCOILPDVXYPRCN-TUAOUCFPSA-N 2 0 213.369 1.090 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000423263045 388040576 /nfs/dbraw/zinc/04/05/76/388040576.db2.gz ALYYWSMUJOZNFT-FDYHWXHSSA-N 2 0 227.396 1.288 20 0 BDADRP CC[N@H+]1C[C@H](NC[C@@H]([NH3+])c2ccccc2)[C@@H](C)C1 ZINC000423245356 388028205 /nfs/dbraw/zinc/02/82/05/388028205.db2.gz OSLZHGKEZYIUIM-CFVMTHIKSA-N 2 0 247.386 1.616 20 0 BDADRP Cn1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cn1 ZINC000446889677 388044208 /nfs/dbraw/zinc/04/42/08/388044208.db2.gz BREXHKGCPBUQFC-UHFFFAOYSA-N 2 0 248.374 1.384 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCCCN1CCO)C(C)(C)C ZINC000453272419 388030015 /nfs/dbraw/zinc/03/00/15/388030015.db2.gz UVXMMAJVRMESEI-STQMWFEESA-N 2 0 242.407 1.857 20 0 BDADRP Cn1cc2c(n1)CCC[C@H]2[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423246075 388030623 /nfs/dbraw/zinc/03/06/23/388030623.db2.gz JUTOYESRUYJVSJ-DGCLKSJQSA-N 2 0 248.374 1.387 20 0 BDADRP CC(C)[C@@H]([NH3+])C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000423272266 388051558 /nfs/dbraw/zinc/05/15/58/388051558.db2.gz JUENMMQTRWRMQH-YVECIDJPSA-N 2 0 238.375 1.517 20 0 BDADRP CC(C)[C@H]([NH3+])C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000423272264 388051798 /nfs/dbraw/zinc/05/17/98/388051798.db2.gz JUENMMQTRWRMQH-FVCCEPFGSA-N 2 0 238.375 1.517 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000423273878 388053753 /nfs/dbraw/zinc/05/37/53/388053753.db2.gz LBFMCVAVJZCHRW-SYQHCUMBSA-N 2 0 239.407 1.432 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000423274329 388055196 /nfs/dbraw/zinc/05/51/96/388055196.db2.gz LZDJEPAWLZLVJC-LOWDOPEQSA-N 2 0 240.391 1.635 20 0 BDADRP CCC([NH3+])(CC)C[NH2+][C@H](C)[C@H](C)OC ZINC000423282218 388064319 /nfs/dbraw/zinc/06/43/19/388064319.db2.gz CLFXMKJIZFPLCG-ZJUUUORDSA-N 2 0 202.342 1.517 20 0 BDADRP CCC([NH3+])(CC)CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000423283275 388065576 /nfs/dbraw/zinc/06/55/76/388065576.db2.gz FCVICCMNIYPKNM-STQMWFEESA-N 2 0 239.407 1.720 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](Cn1cccn1)C(C)C ZINC000423284686 388066566 /nfs/dbraw/zinc/06/65/66/388066566.db2.gz YSZXCVGXUSLBAG-CHWSQXEVSA-N 2 0 238.379 1.353 20 0 BDADRP C[C@@H]1CN(C)C[C@H]1[NH2+]CCOCC1CCCC1 ZINC000453389729 388067852 /nfs/dbraw/zinc/06/78/52/388067852.db2.gz GKNGIVLROSLHRB-TZMCWYRMSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000453393569 388068887 /nfs/dbraw/zinc/06/88/87/388068887.db2.gz VFMBYQQIMFAFKW-IKOXMDCHSA-N 2 0 240.391 1.466 20 0 BDADRP CC(C)[C@@H](Cn1cccn1)[NH2+]CC(C)(C)[NH3+] ZINC000423287486 388071391 /nfs/dbraw/zinc/07/13/91/388071391.db2.gz MPQNDEMWGACYOF-LLVKDONJSA-N 2 0 224.352 1.235 20 0 BDADRP CCC1(CC)[C@H]([NH2+]CC(C)(C)[NH3+])C[C@@H]1OC ZINC000423286790 388071994 /nfs/dbraw/zinc/07/19/94/388071994.db2.gz IUFVNKHJFNIHOZ-MNOVXSKESA-N 2 0 228.380 1.907 20 0 BDADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+]CC(C)(C)[NH3+] ZINC000423288639 388072575 /nfs/dbraw/zinc/07/25/75/388072575.db2.gz UBJPOOQXOOUBSJ-LLVKDONJSA-N 2 0 249.358 1.731 20 0 BDADRP CC(C)O[C@H]1C[C@@H]([NH2+]CC(C)(C)[NH3+])C1(C)C ZINC000423287787 388072765 /nfs/dbraw/zinc/07/27/65/388072765.db2.gz OOMBPVNZSCXLPL-MNOVXSKESA-N 2 0 228.380 1.905 20 0 BDADRP CCC([NH3+])(CC)C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000423290268 388074501 /nfs/dbraw/zinc/07/45/01/388074501.db2.gz COTYSKNNLQJGHV-SNVBAGLBSA-N 2 0 241.379 1.151 20 0 BDADRP CC[C@@H]([NH2+]CC([NH3+])(CC)CC)[C@H]1CCOC1 ZINC000423290003 388074540 /nfs/dbraw/zinc/07/45/40/388074540.db2.gz YYVWLSHODZZLML-NWDGAFQWSA-N 2 0 228.380 1.909 20 0 BDADRP Cc1n[nH]cc1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000084216287 388074574 /nfs/dbraw/zinc/07/45/74/388074574.db2.gz NHXSBEBKGKTSDZ-PWSUYJOCSA-N 2 0 222.336 1.325 20 0 BDADRP CCC(C)(C)OCC[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000453405974 388075090 /nfs/dbraw/zinc/07/50/90/388075090.db2.gz KELHLQFKXAIPPU-VXGBXAGGSA-N 2 0 228.380 1.731 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCc1ccccn1 ZINC000084217591 388075144 /nfs/dbraw/zinc/07/51/44/388075144.db2.gz TZXRQPSWHSXFOB-AAEUAGOBSA-N 2 0 219.332 1.341 20 0 BDADRP CCC([NH3+])(CC)CN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000423294990 388077557 /nfs/dbraw/zinc/07/75/57/388077557.db2.gz WAHANQZLFDRGOY-GHMZBOCLSA-N 2 0 213.369 1.234 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)CCC[NH3+])cc1 ZINC000423296356 388078893 /nfs/dbraw/zinc/07/88/93/388078893.db2.gz YXVVXVXIQLPXDV-NWDGAFQWSA-N 3 0 235.375 1.923 20 0 BDADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@H](C)C[NH3+])CC2 ZINC000423297149 388078979 /nfs/dbraw/zinc/07/89/79/388078979.db2.gz IYSDTCSNJZVZMQ-QMTHXVAHSA-N 2 0 234.343 1.867 20 0 BDADRP C[C@H]1C[N@H+](C)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000447584671 388080483 /nfs/dbraw/zinc/08/04/83/388080483.db2.gz GPPPMNJJMCTWBZ-WYTNZGFTSA-N 2 0 237.391 1.151 20 0 BDADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCC[C@@H]1C1CC1 ZINC000447595104 388081112 /nfs/dbraw/zinc/08/11/12/388081112.db2.gz LCMUAFHEVNDSEK-ZIAGYGMSSA-N 2 0 240.391 1.733 20 0 BDADRP C=Cn1cc(C[NH2+]CCCC[N@@H+](C)C2CC2)cn1 ZINC000453601762 388089681 /nfs/dbraw/zinc/08/96/81/388089681.db2.gz VOBXYNHMRFMCPL-UHFFFAOYSA-N 2 0 248.374 1.948 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000163911544 388098769 /nfs/dbraw/zinc/09/87/69/388098769.db2.gz UNGKBHREGIHFAV-UMSGYPCISA-N 2 0 228.380 1.466 20 0 BDADRP CC(C)CCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000336661428 388104236 /nfs/dbraw/zinc/10/42/36/388104236.db2.gz CCYYFKCLCVCEQI-OLZOCXBDSA-N 2 0 210.365 1.964 20 0 BDADRP C[NH+](C)[C@@H](CN[C@@H]1CC[NH2+]C1)c1cccs1 ZINC000086725518 388107719 /nfs/dbraw/zinc/10/77/19/388107719.db2.gz IIWNOHOMNFVYTP-MNOVXSKESA-N 2 0 239.388 1.302 20 0 BDADRP Cc1ccc(C[NH2+]C2CCC([NH3+])CC2)cn1 ZINC000086729970 388107766 /nfs/dbraw/zinc/10/77/66/388107766.db2.gz CCYKPQFUBLVHDC-UHFFFAOYSA-N 2 0 219.332 1.750 20 0 BDADRP C([NH2+][C@@H]1CCCOCC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086873339 388109590 /nfs/dbraw/zinc/10/95/90/388109590.db2.gz DUPIZUHAGIVNAG-QWHCGFSZSA-N 2 0 238.375 1.629 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000423267476 388045994 /nfs/dbraw/zinc/04/59/94/388045994.db2.gz FEMNKDLDPNNREA-FVCCEPFGSA-N 2 0 238.375 1.389 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423267479 388046129 /nfs/dbraw/zinc/04/61/29/388046129.db2.gz FEULCHAPRATLNB-AVGNSLFASA-N 3 0 225.380 1.093 20 0 BDADRP CC(C)C[C@H](C[NH3+])N[C@@H](C)C[C@@H](C)[NH3+] ZINC000423268685 388046938 /nfs/dbraw/zinc/04/69/38/388046938.db2.gz VDJIKAREWFVCCK-OUAUKWLOSA-N 2 0 201.358 1.075 20 0 BDADRP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@H](C)[NH+](C)C ZINC000449331742 388174442 /nfs/dbraw/zinc/17/44/42/388174442.db2.gz APPIRZNNMXJWOL-AAEUAGOBSA-N 2 0 249.358 1.061 20 0 BDADRP C[C@H](C[NH2+]C[C@H]1C[C@@H]1C)CN1CC[NH+](C)CC1 ZINC000488450663 388180121 /nfs/dbraw/zinc/18/01/21/388180121.db2.gz QXKBGBBMKCCJCD-HZSPNIEDSA-N 2 0 239.407 1.116 20 0 BDADRP C[C@H](C[NH2+]C[C@H]1C[C@H]1C)CN1CC[NH+](C)CC1 ZINC000488450665 388180696 /nfs/dbraw/zinc/18/06/96/388180696.db2.gz QXKBGBBMKCCJCD-MGPQQGTHSA-N 2 0 239.407 1.116 20 0 BDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@@H]1C[C@@H]1C ZINC000488526693 388184498 /nfs/dbraw/zinc/18/44/98/388184498.db2.gz AVCOJFZTNKIVLP-MJBXVCDLSA-N 2 0 239.407 1.258 20 0 BDADRP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000449122593 388145281 /nfs/dbraw/zinc/14/52/81/388145281.db2.gz MAJFJPASPLJTET-ZWNOBZJWSA-N 2 0 241.379 1.007 20 0 BDADRP CCC[NH2+][C@@H](C)C(=O)NCC[N@H+](CC)C(C)C ZINC000449118437 388145349 /nfs/dbraw/zinc/14/53/49/388145349.db2.gz XTACZZHLGFQYCX-LBPRGKRZSA-N 2 0 243.395 1.221 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000449681184 388251443 /nfs/dbraw/zinc/25/14/43/388251443.db2.gz IGLJXHSZRMOYGW-VXGBXAGGSA-N 2 0 241.379 1.023 20 0 BDADRP CCOC1CC([NH2+][C@H](C)CC[NH+](C)C)C1 ZINC000162785636 388252710 /nfs/dbraw/zinc/25/27/10/388252710.db2.gz MLBRYHJYFOLRRM-VOMCLLRMSA-N 2 0 214.353 1.484 20 0 BDADRP CCN1C[C@@H](C)[C@@H]([NH2+]CCC(C)(C)CO)C1 ZINC000449409998 388197181 /nfs/dbraw/zinc/19/71/81/388197181.db2.gz XNMZWDHYUUCOAB-NEPJUHHUSA-N 2 0 228.380 1.325 20 0 BDADRP CCC[C@@H]([NH3+])C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000489480024 388216936 /nfs/dbraw/zinc/21/69/36/388216936.db2.gz PADGRNAUSWYYDK-BXKDBHETSA-N 2 0 235.331 1.772 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000449521618 388223166 /nfs/dbraw/zinc/22/31/66/388223166.db2.gz IZLQCRPEUYXUOL-REWJHTLYSA-N 2 0 238.375 1.770 20 0 BDADRP CC[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@H](C)O ZINC000449542730 388228495 /nfs/dbraw/zinc/22/84/95/388228495.db2.gz MZHPZWMZTIECKB-AAEUAGOBSA-N 2 0 242.407 1.998 20 0 BDADRP CC[C@H](C(=O)N(C)C1CC([NH3+])C1)[NH+](CC)CC ZINC000449635584 388247247 /nfs/dbraw/zinc/24/72/47/388247247.db2.gz UMMUVCYKWURRGD-HTAVTVPLSA-N 2 0 241.379 1.055 20 0 BDADRP CCC1(C[NH2+]C[C@@H](C)C[NH+](C)C)CCOCC1 ZINC000491588492 388304480 /nfs/dbraw/zinc/30/44/80/388304480.db2.gz IWSSSKGJAWQGDQ-CYBMUJFWSA-N 2 0 242.407 1.981 20 0 BDADRP COCC(C)(C)C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000261530095 135157344 /nfs/dbraw/zinc/15/73/44/135157344.db2.gz BXASNGXRXZLAIF-NSHDSACASA-N 2 0 214.353 1.248 20 0 BDADRP C[C@H]1[C@@H](O)CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000451463248 388275408 /nfs/dbraw/zinc/27/54/08/388275408.db2.gz UVEGWHZCQJEFHR-KBPBESRZSA-N 2 0 240.391 1.708 20 0 BDADRP C[C@@H](CN)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000235144131 388365518 /nfs/dbraw/zinc/36/55/18/388365518.db2.gz WDFMOIFNYMDSMO-UWVGGRQHSA-N 2 0 210.296 1.694 20 0 BDADRP C[C@H](C[NH3+])N[C@@H](C)c1cc(F)ccc1F ZINC000235459058 388369828 /nfs/dbraw/zinc/36/98/28/388369828.db2.gz JKBOQRIIFIOUGH-SFYZADRCSA-N 2 0 214.259 1.963 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000572722682 388371195 /nfs/dbraw/zinc/37/11/95/388371195.db2.gz LIASZEKWVXCSTO-CYBMUJFWSA-N 2 0 235.331 1.194 20 0 BDADRP C[C@H]1C[C@H](C[N@H+](C)C[C@@H]2CCCO2)CC[NH2+]1 ZINC000235723802 388374710 /nfs/dbraw/zinc/37/47/10/388374710.db2.gz YTTYXAJJWPTPPX-XQQFMLRXSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@]1(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCCS1 ZINC000327525475 388377239 /nfs/dbraw/zinc/37/72/39/388377239.db2.gz TYBHJMRVQKNIDG-TUAOUCFPSA-N 2 0 226.389 1.423 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)C[C@H]2CC[NH2+]C2)c1 ZINC000646626386 388397400 /nfs/dbraw/zinc/39/74/00/388397400.db2.gz OYBOKCYRPAMVQJ-GFCCVEGCSA-N 2 0 247.342 1.344 20 0 BDADRP COc1cccc([C@H](C)[NH2+]CCOCC[NH3+])c1 ZINC000572966723 388400203 /nfs/dbraw/zinc/40/02/03/388400203.db2.gz FKFSKMAINGYQIK-NSHDSACASA-N 2 0 238.331 1.321 20 0 BDADRP C(C1CCC1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000334998939 388448112 /nfs/dbraw/zinc/44/81/12/388448112.db2.gz WSHXSMBPLXAWOD-BETUJISGSA-N 2 0 208.349 1.718 20 0 BDADRP C[C@@H]1C[C@@H](C)[N@H+](CCc2cccnc2)C[C@@H]1C[NH3+] ZINC000397264851 388455977 /nfs/dbraw/zinc/45/59/77/388455977.db2.gz ISELQNXNDRMBPI-NFAWXSAZSA-N 2 0 247.386 1.929 20 0 BDADRP CCC[NH+](CCC)CCCC(=O)NC[C@@H](C)[NH3+] ZINC000194951442 388457705 /nfs/dbraw/zinc/45/77/05/388457705.db2.gz FAFNGYTXSHUHRA-GFCCVEGCSA-N 2 0 243.395 1.352 20 0 BDADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2cccnc2)C[C@H]1C[NH3+] ZINC000397358632 388463031 /nfs/dbraw/zinc/46/30/31/388463031.db2.gz FVNFQOYOBFTMDF-YRGRVCCFSA-N 2 0 233.359 1.887 20 0 BDADRP CC[C@@H](C[NH2+][C@H](C)CCCC[NH3+])OC ZINC000336697589 388464291 /nfs/dbraw/zinc/46/42/91/388464291.db2.gz UTEPEKSGAOGLTQ-MNOVXSKESA-N 2 0 202.342 1.519 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)CCCC[NH3+])C[NH+]1CCCC1 ZINC000336712615 388466609 /nfs/dbraw/zinc/46/66/09/388466609.db2.gz OBWBZMLBWMSODG-KGLIPLIRSA-N 3 0 241.423 1.825 20 0 BDADRP C[C@@H]1C[C@@H](C)[N@H+](CC2CCOCC2)C[C@@H]1C[NH3+] ZINC000397486133 388473606 /nfs/dbraw/zinc/47/36/06/388473606.db2.gz UZXYSUQWDZDFKS-BZPMIXESSA-N 2 0 240.391 1.718 20 0 BDADRP C[C@H]([NH3+])c1ccc(C(=O)N2CC[C@H](C[NH3+])C2)cc1 ZINC000646669935 388410418 /nfs/dbraw/zinc/41/04/18/388410418.db2.gz HDGQVUVPCRGFDU-WDEREUQCSA-N 2 0 247.342 1.127 20 0 BDADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)[C@H]1CCOC1 ZINC000166326210 388425334 /nfs/dbraw/zinc/42/53/34/388425334.db2.gz MJLICVXMGGPTHA-RISCZKNCSA-N 2 0 234.343 1.660 20 0 BDADRP CC[N@@H+]1CC[C@H](NC2CC[NH+](C3CC3)CC2)C1 ZINC000336886906 388427226 /nfs/dbraw/zinc/42/72/26/388427226.db2.gz CKCMLXGUCYEVRZ-ZDUSSCGKSA-N 2 0 237.391 1.297 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H](CO)CC(C)(C)C ZINC000393458356 388430379 /nfs/dbraw/zinc/43/03/79/388430379.db2.gz IODJMWPZEUEINI-GHMZBOCLSA-N 2 0 216.369 1.501 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)Nc1ccncc1C ZINC000261533079 388548272 /nfs/dbraw/zinc/54/82/72/388548272.db2.gz IIANXIBZOKKVLA-LBPRGKRZSA-N 2 0 221.304 1.846 20 0 BDADRP COC[C@@H](C)[NH2+]CCCCC[NH+]1CCCC1 ZINC000339496846 388483894 /nfs/dbraw/zinc/48/38/94/388483894.db2.gz DYMZEQLHRHQTRM-CYBMUJFWSA-N 2 0 228.380 1.877 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)[C@@]1(C)CCCO1)C[NH+](C)C ZINC000340392664 388489897 /nfs/dbraw/zinc/48/98/97/388489897.db2.gz ZWQHATJJWFPRDJ-FRRDWIJNSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCC1(O)CCC1 ZINC000397750055 388496208 /nfs/dbraw/zinc/49/62/08/388496208.db2.gz PBAJARAELFATHQ-LLVKDONJSA-N 2 0 214.353 1.399 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCC1(O)CCC1 ZINC000342805883 388499022 /nfs/dbraw/zinc/49/90/22/388499022.db2.gz KXEDSFGEZFWNDR-JHJVBQTASA-N 2 0 240.391 1.610 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1NCC1([NH+](C)C)CC1 ZINC000397860850 388507388 /nfs/dbraw/zinc/50/73/88/388507388.db2.gz YEABWGIHOOOONL-VXGBXAGGSA-N 2 0 225.380 1.010 20 0 BDADRP COC[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)C1CC1 ZINC000398004802 388514286 /nfs/dbraw/zinc/51/42/86/388514286.db2.gz AKRKAJJJVWCCRP-HNNXBMFYSA-N 2 0 246.354 1.804 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CS[C@H](C)C1 ZINC000398002442 388514670 /nfs/dbraw/zinc/51/46/70/388514670.db2.gz UBMIJBBVXZNDES-BBBLOLIVSA-N 2 0 202.367 1.597 20 0 BDADRP CN(C)C1(C[NH2+][C@H]2CCOC2(C)C)CC1 ZINC000397993868 388514698 /nfs/dbraw/zinc/51/46/98/388514698.db2.gz YLLTUQUEAPYHNK-JTQLQIEISA-N 2 0 212.337 1.238 20 0 BDADRP C(C[C@@H]1CCOC1)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000220587584 388605969 /nfs/dbraw/zinc/60/59/69/388605969.db2.gz ITMNPIWPJUPVRD-RDBSUJKOSA-N 2 0 238.375 1.629 20 0 BDADRP CC[C@@H](C)C[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000185866601 256858823 /nfs/dbraw/zinc/85/88/23/256858823.db2.gz OINWVSQZASCBRK-ZIAGYGMSSA-N 2 0 241.423 1.648 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCOC1CCCC1 ZINC000358084155 388553269 /nfs/dbraw/zinc/55/32/69/388553269.db2.gz LTEZZFDOOOEACO-JSGCOSHPSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000359644403 388557486 /nfs/dbraw/zinc/55/74/86/388557486.db2.gz ZZKJQFTUOHHEOJ-UONOGXRCSA-N 2 0 241.423 1.647 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cccc(CO)c1 ZINC000361184540 388559870 /nfs/dbraw/zinc/55/98/70/388559870.db2.gz SIWYSGKGQUFRHK-WFASDCNBSA-N 2 0 248.370 1.609 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])C(C)C ZINC000362976517 388562643 /nfs/dbraw/zinc/56/26/43/388562643.db2.gz KTBUXGCTHGMEDO-IJLUTSLNSA-N 2 0 214.353 1.374 20 0 BDADRP CC[C@@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000367615122 388565249 /nfs/dbraw/zinc/56/52/49/388565249.db2.gz JXQJRZLVWVEMIZ-RVMXOQNASA-N 2 0 226.364 1.220 20 0 BDADRP Cc1cnccc1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000385061557 388573642 /nfs/dbraw/zinc/57/36/42/388573642.db2.gz UMRSQPAGKXKTSU-WCQYABFASA-N 2 0 219.332 1.559 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCCO2)CC[N@@H+]1C ZINC000224547594 388666113 /nfs/dbraw/zinc/66/61/13/388666113.db2.gz OFNBQZFSERYFTR-JHJVBQTASA-N 2 0 226.364 1.628 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@H](O)C2)CC[N@@H+]1C ZINC000247981301 388671847 /nfs/dbraw/zinc/67/18/47/388671847.db2.gz IJRAFNAJZQNJDI-RQJABVFESA-N 2 0 240.391 1.610 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000530178814 388621282 /nfs/dbraw/zinc/62/12/82/388621282.db2.gz OBCCBQVVVNSLAT-KWCYVHTRSA-N 2 0 249.402 1.343 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CCCOC2)C1 ZINC000530210283 388627608 /nfs/dbraw/zinc/62/76/08/388627608.db2.gz JADDFWCNVDASLC-YNEHKIRRSA-N 2 0 226.364 1.663 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)[C@H]1CCCOC1 ZINC000530215792 388628993 /nfs/dbraw/zinc/62/89/93/388628993.db2.gz JAMPDXAHBXCSRD-AVGNSLFASA-N 2 0 238.375 1.676 20 0 BDADRP C[C@@H](N[C@H]1CC[NH2+]C12CCC2)[C@@H]1CCCC[NH2+]1 ZINC000530215796 388629112 /nfs/dbraw/zinc/62/91/12/388629112.db2.gz JDJGARITWZBXJK-AGIUHOORSA-N 2 0 237.391 1.391 20 0 BDADRP CC1(C)CC(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000530219009 388631517 /nfs/dbraw/zinc/63/15/17/388631517.db2.gz IMQRHQXIYVXWFQ-CHWSQXEVSA-N 2 0 222.376 1.964 20 0 BDADRP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000530222183 388633015 /nfs/dbraw/zinc/63/30/15/388633015.db2.gz GBXYEKKIZNMRLG-MZABENMOSA-N 2 0 240.391 1.905 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC12CC(C1)CO2 ZINC000530223335 388634082 /nfs/dbraw/zinc/63/40/82/388634082.db2.gz UEQKJKSZGWVUOK-GMKTYKIGSA-N 2 0 224.348 1.143 20 0 BDADRP C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000530227188 388635425 /nfs/dbraw/zinc/63/54/25/388635425.db2.gz VORLBKQRRTVZDV-IMYIMRPESA-N 2 0 238.375 1.671 20 0 BDADRP CC(C)[C@H]1CNCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000530229339 388636536 /nfs/dbraw/zinc/63/65/36/388636536.db2.gz NIYGSRWBCLUWIO-ZIAGYGMSSA-N 2 0 239.407 1.306 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCO1 ZINC000251384340 388643404 /nfs/dbraw/zinc/64/34/04/388643404.db2.gz QHZLLDGSUBSZRG-TUAOUCFPSA-N 2 0 212.337 1.273 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000223423237 388652614 /nfs/dbraw/zinc/65/26/14/388652614.db2.gz RPXNLRUFPYNCMS-IACUBPJLSA-N 2 0 242.407 1.856 20 0 BDADRP C[C@@H](CN[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+](C)C1CC1 ZINC000246865161 388653410 /nfs/dbraw/zinc/65/34/10/388653410.db2.gz CFTNRZBZVWYNCJ-FRRDWIJNSA-N 2 0 239.407 1.541 20 0 BDADRP CC[N@@H+]1CC[C@H](CN[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000246999553 388656110 /nfs/dbraw/zinc/65/61/10/388656110.db2.gz KPBMKOMEARGXFF-MCIONIFRSA-N 2 0 239.407 1.401 20 0 BDADRP CC[N@@H+]1CC[C@H](NC[C@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000246978693 388656374 /nfs/dbraw/zinc/65/63/74/388656374.db2.gz JOZOLLDQHBAEDZ-MJBXVCDLSA-N 2 0 239.407 1.401 20 0 BDADRP CC[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000246978648 388656824 /nfs/dbraw/zinc/65/68/24/388656824.db2.gz JOZOLLDQHBAEDZ-IHRRRGAJSA-N 2 0 239.407 1.401 20 0 BDADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](C)COC)C1 ZINC000249942221 388735183 /nfs/dbraw/zinc/73/51/83/388735183.db2.gz TWPHLSBZCGCAJW-KBPBESRZSA-N 2 0 242.407 1.933 20 0 BDADRP COC[C@H](C)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251015126 388743477 /nfs/dbraw/zinc/74/34/77/388743477.db2.gz WBANXAPLUPMFLU-DCAQKATOSA-N 2 0 200.326 1.081 20 0 BDADRP CC[C@@H]([NH2+]CCN1CCCCC1)[C@@H]1CCOC1 ZINC000128268792 388743618 /nfs/dbraw/zinc/74/36/18/388743618.db2.gz QWOTYKGFETVFMJ-ZIAGYGMSSA-N 2 0 240.391 1.877 20 0 BDADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@](C)(O)CC)C1 ZINC000249321015 388717168 /nfs/dbraw/zinc/71/71/68/388717168.db2.gz GDVXPUZILIQSNS-KGLIPLIRSA-N 2 0 242.407 1.811 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@](C)(O)CC)C1 ZINC000249365720 388718491 /nfs/dbraw/zinc/71/84/91/388718491.db2.gz MJINACIOYSNHCZ-QWHCGFSZSA-N 2 0 228.380 1.421 20 0 BDADRP CC[C@H](C)[C@H](C)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000127352725 388721290 /nfs/dbraw/zinc/72/12/90/388721290.db2.gz QLXDCDQDUNHYGQ-MJBXVCDLSA-N 2 0 241.423 1.647 20 0 BDADRP C[N@H+](CC[C@H]1CCCO1)C[C@@H]1CCC[NH+](C)C1 ZINC000249499300 388724343 /nfs/dbraw/zinc/72/43/43/388724343.db2.gz WVBDELDAFGVLOG-ZIAGYGMSSA-N 2 0 240.391 1.829 20 0 BDADRP CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)C(C)C ZINC000127648191 388729161 /nfs/dbraw/zinc/72/91/61/388729161.db2.gz UVZJSJFARWBBSV-KGLIPLIRSA-N 2 0 241.423 1.647 20 0 BDADRP CC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000253025791 388797527 /nfs/dbraw/zinc/79/75/27/388797527.db2.gz NCFAYMQSUVPCPF-REWJHTLYSA-N 2 0 240.391 1.658 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC3CCC3)C[C@@H]21 ZINC000230049390 388811640 /nfs/dbraw/zinc/81/16/40/388811640.db2.gz OPEVDMBEINCADF-FRRDWIJNSA-N 2 0 208.349 1.846 20 0 BDADRP Cc1nc(CN2CC[C@@H]([C@H](C)[NH3+])C2)cs1 ZINC000228149182 388771293 /nfs/dbraw/zinc/77/12/93/388771293.db2.gz DLMNDBYERIIKAN-WCBMZHEXSA-N 2 0 225.361 1.621 20 0 BDADRP c1cnn(CCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000252703288 388771942 /nfs/dbraw/zinc/77/19/42/388771942.db2.gz QGOBGIVUSXNGAD-KGLIPLIRSA-N 2 0 248.374 1.490 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000252732516 388778209 /nfs/dbraw/zinc/77/82/09/388778209.db2.gz VKXHQOPXMLXFFS-AGIUHOORSA-N 2 0 248.374 1.486 20 0 BDADRP CC[C@H](O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000555338004 388847522 /nfs/dbraw/zinc/84/75/22/388847522.db2.gz VNGBOZYZHRAYBQ-AWEZNQCLSA-N 2 0 242.407 1.810 20 0 BDADRP C[C@@H](O)CC[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000305156192 388903030 /nfs/dbraw/zinc/90/30/30/388903030.db2.gz VUBZZKQCSVKJLF-GFCCVEGCSA-N 2 0 240.391 1.754 20 0 BDADRP CCN(C)C[C@@H](O)C[N@H+](C)C1(C)CCCC1 ZINC000565156452 388918740 /nfs/dbraw/zinc/91/87/40/388918740.db2.gz JMWMOFSNBAWDHD-GFCCVEGCSA-N 2 0 228.380 1.564 20 0 BDADRP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)CC)C(C)(C)C ZINC000565784158 388970095 /nfs/dbraw/zinc/97/00/95/388970095.db2.gz UXTXVZFZIIUEBM-RYUDHWBXSA-N 2 0 230.396 1.713 20 0 BDADRP CC[NH+](CC)CCCN(C)[C@@H]1CC[NH2+]C1 ZINC000565540182 388952687 /nfs/dbraw/zinc/95/26/87/388952687.db2.gz LDERROBBTFOCLZ-GFCCVEGCSA-N 2 0 213.369 1.012 20 0 BDADRP CC[C@@H]([NH3+])CNC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000566009269 388983588 /nfs/dbraw/zinc/98/35/88/388983588.db2.gz KZSGNHCUXYOTBJ-JOYOIKCWSA-N 2 0 235.331 1.173 20 0 BDADRP CC(C)[NH+](CCC[NH2+]C[C@H](C)O)C(C)C ZINC000566113035 388988269 /nfs/dbraw/zinc/98/82/69/388988269.db2.gz VCKPLMWTKPZDLH-LBPRGKRZSA-N 2 0 216.369 1.466 20 0 BDADRP CSC[C@@H](O)C[NH2+][C@H](C)C(C)(C)C[NH+](C)C ZINC000565829142 388971215 /nfs/dbraw/zinc/97/12/15/388971215.db2.gz WPECAQSBQOUNNA-MNOVXSKESA-N 2 0 248.436 1.276 20 0 BDADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cccnc1 ZINC000271491335 389021258 /nfs/dbraw/zinc/02/12/58/389021258.db2.gz FKXRFZZOBIJGKM-LBPRGKRZSA-N 2 0 249.358 1.189 20 0 BDADRP Cc1ccc(O)c(C[NH2+]CC2=CC[N@H+](C)CC2)n1 ZINC000271822909 389025374 /nfs/dbraw/zinc/02/53/74/389025374.db2.gz NCKBDJIQEAVEHE-UHFFFAOYSA-N 2 0 247.342 1.447 20 0 BDADRP CC(C)n1cc(C[NH2+]CC2=CC[N@H+](C)CC2)cn1 ZINC000271805977 389026499 /nfs/dbraw/zinc/02/64/99/389026499.db2.gz JYRQNDIWJJRHKL-UHFFFAOYSA-N 2 0 248.374 1.816 20 0 BDADRP C[C@@H](N[C@@H](C)CC[NH+](C)C)c1cn[nH]c1 ZINC000274423385 389047382 /nfs/dbraw/zinc/04/73/82/389047382.db2.gz LWRMCQVZTNEZSZ-VHSXEESVSA-N 2 0 210.325 1.401 20 0 BDADRP COCCCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400423310 533265880 /nfs/dbraw/zinc/26/58/80/533265880.db2.gz XPNHJQZQHVZTCF-MNOVXSKESA-N 2 0 200.326 1.143 20 0 BDADRP CO[C@@H]1CC[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000300056927 533416590 /nfs/dbraw/zinc/41/65/90/533416590.db2.gz WMSUZVHOTOKHIO-SDDRHHMPSA-N 2 0 212.337 1.095 20 0 BDADRP CC(C)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000051399520 132360754 /nfs/dbraw/zinc/36/07/54/132360754.db2.gz UPAPCXCUQJCIND-UHFFFAOYSA-N 2 0 248.374 1.331 20 0 BDADRP Cc1ccc(C[NH2+]CCCC[NH+](C)C)cn1 ZINC000158293239 133500586 /nfs/dbraw/zinc/50/05/86/133500586.db2.gz OGTLJERQBKZCCV-UHFFFAOYSA-N 2 0 221.348 1.821 20 0 BDADRP [NH3+]CC1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000083525978 133526841 /nfs/dbraw/zinc/52/68/41/133526841.db2.gz GKEHLNMIYGZWJQ-GFCCVEGCSA-N 2 0 212.337 1.226 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCCC[NH+](C)C)CCO1 ZINC000069890705 133535852 /nfs/dbraw/zinc/53/58/52/133535852.db2.gz SSDAACSAHRBDOH-NWDGAFQWSA-N 2 0 214.353 1.485 20 0 BDADRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000350216188 133948286 /nfs/dbraw/zinc/94/82/86/133948286.db2.gz PBKLWSUDBBUUAK-CYBMUJFWSA-N 2 0 228.380 1.828 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+](CC[C@@H]3CCOC3)C2)C1 ZINC000336113247 134087183 /nfs/dbraw/zinc/08/71/83/134087183.db2.gz RQPLJCMOAGIEQV-KGLIPLIRSA-N 2 0 238.375 1.441 20 0 BDADRP Cc1ccsc1CN1CCC[C@H]1C[NH3+] ZINC000168800806 134247071 /nfs/dbraw/zinc/24/70/71/134247071.db2.gz LGXNCPHNOHSUTL-JTQLQIEISA-N 2 0 210.346 1.980 20 0 BDADRP Cc1ccc(CN2CC[C@H]([NH3+])[C@@H](C)C2)cn1 ZINC000217921567 134250829 /nfs/dbraw/zinc/25/08/29/134250829.db2.gz KHOTZERNNRBJNQ-GWCFXTLKSA-N 2 0 219.332 1.559 20 0 BDADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1ccccn1 ZINC000219319018 134281267 /nfs/dbraw/zinc/28/12/67/134281267.db2.gz CAVHXVMMRRWFFZ-LBPRGKRZSA-N 2 0 237.347 1.310 20 0 BDADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCCO2)C1 ZINC000176284536 134290278 /nfs/dbraw/zinc/29/02/78/134290278.db2.gz CMBPLRFARNKODR-KGLIPLIRSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)CCCO1 ZINC000219866401 134291990 /nfs/dbraw/zinc/29/19/90/134291990.db2.gz FQHQKMIMLCIRPO-RYUDHWBXSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H](CC[NH3+])[NH2+]Cc1cc(F)cc(F)c1 ZINC000220537768 134309656 /nfs/dbraw/zinc/30/96/56/134309656.db2.gz DCFBFGOEUCOWCB-QMMMGPOBSA-N 2 0 214.259 1.792 20 0 BDADRP Cc1cc(C[NH2+][C@H](C)CC[NH3+])ccc1F ZINC000220507823 134309777 /nfs/dbraw/zinc/30/97/77/134309777.db2.gz IYNZENSVELFPFK-SNVBAGLBSA-N 2 0 210.296 1.961 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000178411290 134310008 /nfs/dbraw/zinc/31/00/08/134310008.db2.gz ATYFRXGGEPGGJH-CABZTGNLSA-N 2 0 233.315 1.397 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C)(O)CC1 ZINC000179255271 134319266 /nfs/dbraw/zinc/31/92/66/134319266.db2.gz BLTASFVXFXYGRK-GFCCVEGCSA-N 2 0 226.364 1.318 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)[C@@H]1CCOC1 ZINC000222017102 134329515 /nfs/dbraw/zinc/32/95/15/134329515.db2.gz AJFPITIXZSCPTK-DGAVXFQQSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@H](CC[S@](C)=O)[NH2+][C@@H]1CCN(C)C[C@@H]1C ZINC000222253717 134331072 /nfs/dbraw/zinc/33/10/72/134331072.db2.gz YVBQMUGTPFMLLZ-LGSVPQMISA-N 2 0 246.420 1.073 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H](CO)CC(C)(C)C)CCN1C ZINC000181522250 134337403 /nfs/dbraw/zinc/33/74/03/134337403.db2.gz XFAPHODHPWZOMX-UPJWGTAASA-N 2 0 242.407 1.856 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000223504797 134340004 /nfs/dbraw/zinc/34/00/04/134340004.db2.gz YVUYXBOQAJEYMW-DGAVXFQQSA-N 2 0 242.407 1.856 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCCOC2)CC1 ZINC000227495751 134381397 /nfs/dbraw/zinc/38/13/97/134381397.db2.gz KMXRIKDYJWLZQF-GFCCVEGCSA-N 2 0 226.364 1.487 20 0 BDADRP CC1(C[NH2+]CCC[NH+]2CCCCC2)COC1 ZINC000227518041 134382436 /nfs/dbraw/zinc/38/24/36/134382436.db2.gz ATZCMLPHJUSMAT-UHFFFAOYSA-N 2 0 226.364 1.489 20 0 BDADRP C[C@H](CCCO)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227542243 134382869 /nfs/dbraw/zinc/38/28/69/134382869.db2.gz JAYGPSSXPGPFIK-LERXQTSPSA-N 2 0 234.343 1.882 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@H]2CCOC2(C)C)CC1 ZINC000328253837 134602323 /nfs/dbraw/zinc/60/23/23/134602323.db2.gz PLBUCZKAMWBOHF-LBPRGKRZSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H](O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062033274 134805731 /nfs/dbraw/zinc/80/57/31/134805731.db2.gz JUFXFRJLEXIZQL-LBPRGKRZSA-N 2 0 226.364 1.175 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H]2CCOC2)CC1 ZINC000070964982 135016193 /nfs/dbraw/zinc/01/61/93/135016193.db2.gz MNTOGJSSFUFLGO-GFCCVEGCSA-N 2 0 212.337 1.239 20 0 BDADRP CCOC[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250493261 135056561 /nfs/dbraw/zinc/05/65/61/135056561.db2.gz IWGHKVDEDLWTBD-AVGNSLFASA-N 2 0 226.364 1.628 20 0 BDADRP [NH3+]CCCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000250871801 135060704 /nfs/dbraw/zinc/06/07/04/135060704.db2.gz SOFOEWPWPHHJPR-YNEHKIRRSA-N 2 0 225.380 1.236 20 0 BDADRP COCC[C@H](C)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251162532 135065467 /nfs/dbraw/zinc/06/54/67/135065467.db2.gz CJWZJWKVFHNYDL-SDDRHHMPSA-N 2 0 214.353 1.471 20 0 BDADRP C[C@H](CO)C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000251197345 135065704 /nfs/dbraw/zinc/06/57/04/135065704.db2.gz KAUWMLOBEPWHQS-RWMBFGLXSA-N 2 0 228.380 1.515 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC[C@H]1CCCO1 ZINC000251718742 135075577 /nfs/dbraw/zinc/07/55/77/135075577.db2.gz BXRHWIHVIRVCFW-IJLUTSLNSA-N 2 0 212.337 1.225 20 0 BDADRP CC1(C)CCC[N@H+](CCOCC[NH3+])CC1 ZINC000086435880 135084028 /nfs/dbraw/zinc/08/40/28/135084028.db2.gz NVYAYWRJOIWTQV-UHFFFAOYSA-N 2 0 214.353 1.474 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000086435602 135084831 /nfs/dbraw/zinc/08/48/31/135084831.db2.gz DVBDTKYGNLKXDM-ZDUSSCGKSA-N 2 0 226.364 1.616 20 0 BDADRP CC[C@H](C)C[N@H+](CC)CCOCC[NH3+] ZINC000086440098 135085518 /nfs/dbraw/zinc/08/55/18/135085518.db2.gz LYHFYUHIOLIMDH-NSHDSACASA-N 2 0 202.342 1.330 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCC[NH3+] ZINC000086501016 135087196 /nfs/dbraw/zinc/08/71/96/135087196.db2.gz MWRJRZBJRHNJTB-OLZOCXBDSA-N 3 0 227.396 1.626 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000252703210 135098013 /nfs/dbraw/zinc/09/80/13/135098013.db2.gz KQNWNHQFQMWAFK-FVCCEPFGSA-N 2 0 208.349 1.859 20 0 BDADRP CC(C)[C@H](O)CC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000252710920 135099316 /nfs/dbraw/zinc/09/93/16/135099316.db2.gz IAEXQGAHTXVWEK-FRRDWIJNSA-N 2 0 228.380 1.323 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000252709399 135099551 /nfs/dbraw/zinc/09/95/51/135099551.db2.gz CUIOBNKJIFIBLB-UJPOAAIJSA-N 2 0 210.365 1.961 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000252713193 135100531 /nfs/dbraw/zinc/10/05/31/135100531.db2.gz OOMSTKVRJUOSMP-QJPTWQEYSA-N 2 0 226.364 1.484 20 0 BDADRP CC(C)[C@@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252715681 135101696 /nfs/dbraw/zinc/10/16/96/135101696.db2.gz WJSBJMMLUQHNHA-UPJWGTAASA-N 2 0 228.380 1.323 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252759513 135107716 /nfs/dbraw/zinc/10/77/16/135107716.db2.gz LLHPGXSPCFPGKC-CYDGBPFRSA-N 2 0 226.364 1.362 20 0 BDADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccncc3)C[C@@H]12 ZINC000261594310 135109724 /nfs/dbraw/zinc/10/97/24/135109724.db2.gz XLXOFCCMXQRUHU-YNEHKIRRSA-N 2 0 217.316 1.251 20 0 BDADRP Cc1c[nH+]ccc1N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252858916 135113755 /nfs/dbraw/zinc/11/37/55/135113755.db2.gz MDWNNHYBGCWLLN-AVGNSLFASA-N 2 0 231.343 1.954 20 0 BDADRP COCCCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252869959 135113834 /nfs/dbraw/zinc/11/38/34/135113834.db2.gz SCBUIJYRLYLVKS-RWMBFGLXSA-N 2 0 226.364 1.472 20 0 BDADRP COC[C@H]1CCCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000262009406 135114812 /nfs/dbraw/zinc/11/48/12/135114812.db2.gz UZNGBRMZPFPEAL-AWEZNQCLSA-N 2 0 240.391 1.735 20 0 BDADRP COCC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252876684 135115105 /nfs/dbraw/zinc/11/51/05/135115105.db2.gz WHVLSIFCVYFHJM-ZDEQEGDKSA-N 2 0 226.364 1.471 20 0 BDADRP Cc1cc(N2CC[C@@H]([NH3+])[C@H](C)C2)cc[nH+]1 ZINC000252933719 135117659 /nfs/dbraw/zinc/11/76/59/135117659.db2.gz DBPBHHBDZMQKGD-BXKDBHETSA-N 2 0 205.305 1.564 20 0 BDADRP C[C@](C[NH3+])(NC(=O)CCCCCC[NH3+])C1CC1 ZINC000262642724 135120524 /nfs/dbraw/zinc/12/05/24/135120524.db2.gz SRLOQGPTHWJMMR-CYBMUJFWSA-N 2 0 241.379 1.139 20 0 BDADRP C[N@H+](CCOCC1CC1)CC[C@@H]1CC[NH2+]C1 ZINC000087399849 135129042 /nfs/dbraw/zinc/12/90/42/135129042.db2.gz MWXUVWUEPQVMJN-LBPRGKRZSA-N 2 0 226.364 1.344 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC1CCOCC1 ZINC000259105646 135136972 /nfs/dbraw/zinc/13/69/72/135136972.db2.gz SKGUSONXORVKLI-VXGBXAGGSA-N 2 0 212.337 1.273 20 0 BDADRP c1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)nc1 ZINC000257641367 135137346 /nfs/dbraw/zinc/13/73/46/135137346.db2.gz AZNLRHDIQVDEDI-UHFFFAOYSA-N 2 0 231.343 1.657 20 0 BDADRP C([C@@H]1CCSC1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257641399 135137362 /nfs/dbraw/zinc/13/73/62/135137362.db2.gz AZZBCXLCSLVXBO-NWDGAFQWSA-N 2 0 226.389 1.425 20 0 BDADRP c1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)no1 ZINC000257650382 135138546 /nfs/dbraw/zinc/13/85/46/135138546.db2.gz DDVIKUBNALSRPJ-UHFFFAOYSA-N 2 0 221.304 1.250 20 0 BDADRP Cc1ncccc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257707642 135139693 /nfs/dbraw/zinc/13/96/93/135139693.db2.gz RRCHQUYUZKNANQ-UHFFFAOYSA-N 2 0 245.370 1.966 20 0 BDADRP C(C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)[C@@H]1CCCCO1 ZINC000257742541 135141897 /nfs/dbraw/zinc/14/18/97/135141897.db2.gz ZDVHIDJLPDZWOM-KBPBESRZSA-N 2 0 238.375 1.631 20 0 BDADRP COC[C@@H]([NH2+]CCC[NH+]1CCCC1)C1CC1 ZINC000087477683 135143490 /nfs/dbraw/zinc/14/34/90/135143490.db2.gz BGSUGCPOEHFHFL-CYBMUJFWSA-N 2 0 226.364 1.487 20 0 BDADRP C[NH2+]CCCN(C)Cc1sc(C)nc1C ZINC000087472288 135143601 /nfs/dbraw/zinc/14/36/01/135143601.db2.gz WAWIPPDHKUAOJG-UHFFFAOYSA-N 2 0 227.377 1.801 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](COC)C2CC2)C1 ZINC000087478938 135144130 /nfs/dbraw/zinc/14/41/30/135144130.db2.gz OEWDKMXAAWOSJK-YPMHNXCESA-N 2 0 226.364 1.343 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000261529073 135155378 /nfs/dbraw/zinc/15/53/78/135155378.db2.gz AHAILEMNOCMUBN-TUAOUCFPSA-N 2 0 214.353 1.255 20 0 BDADRP Cc1[nH+]ccc(N2CC[C@@H]([NH3+])C2)c1Cl ZINC000261530232 135157667 /nfs/dbraw/zinc/15/76/67/135157667.db2.gz YPMIFZHJCIJXJX-MRVPVSSYSA-N 2 0 211.696 1.581 20 0 BDADRP C[C@H]1[C@@H](c2ccccc2)CCN1CC[NH3+] ZINC000261531086 135158659 /nfs/dbraw/zinc/15/86/59/135158659.db2.gz FDNUJEZXVOEUGO-AAEUAGOBSA-N 2 0 204.317 1.823 20 0 BDADRP C[C@H]1C[N@H+](CCOCC[NH3+])C(C)(C)C1 ZINC000261531282 135159543 /nfs/dbraw/zinc/15/95/43/135159543.db2.gz FZIDKLWBWMDJDM-SNVBAGLBSA-N 2 0 200.326 1.082 20 0 BDADRP CC(C)(C)CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261531445 135159880 /nfs/dbraw/zinc/15/98/80/135159880.db2.gz GODWNTBNSCIRMF-NEPJUHHUSA-N 2 0 210.365 1.964 20 0 BDADRP COC[C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261532735 135163557 /nfs/dbraw/zinc/16/35/57/135163557.db2.gz DJWXGWALWMAJOS-QWHCGFSZSA-N 2 0 226.364 1.344 20 0 BDADRP CC[C@H]1CCCN(Cc2noc(CN)n2)C1 ZINC000261533019 135163916 /nfs/dbraw/zinc/16/39/16/135163916.db2.gz FVWMLQUVECSZJD-VIFPVBQESA-N 2 0 224.308 1.150 20 0 BDADRP CC1(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)CCC1 ZINC000261534688 135167880 /nfs/dbraw/zinc/16/78/80/135167880.db2.gz MXSSEKWTNDCVIZ-NEPJUHHUSA-N 2 0 208.349 1.860 20 0 BDADRP CO[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000261534544 135168209 /nfs/dbraw/zinc/16/82/09/135168209.db2.gz RZDXTAGHZWAMMM-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)CCCO1 ZINC000261534517 135168240 /nfs/dbraw/zinc/16/82/40/135168240.db2.gz RRCUGPKUYSISFA-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP COCC1(C[NH2+]C2CC[NH2+]CC2)CCC1 ZINC000261537124 135173164 /nfs/dbraw/zinc/17/31/64/135173164.db2.gz UXPPQQCOYHEXNL-UHFFFAOYSA-N 2 0 212.337 1.145 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)[C@H]1CCCO1 ZINC000261536800 135173284 /nfs/dbraw/zinc/17/32/84/135173284.db2.gz TUFJUHWCBNOWQW-WISYIIOYSA-N 2 0 212.337 1.142 20 0 BDADRP C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000261539341 135178039 /nfs/dbraw/zinc/17/80/39/135178039.db2.gz CEIHLMAIGROKGF-AGIUHOORSA-N 2 0 208.349 1.718 20 0 BDADRP CCC[N@H+](CC)CCNC(=O)[C@H]([NH3+])[C@H](C)CC ZINC000261539933 135178658 /nfs/dbraw/zinc/17/86/58/135178658.db2.gz CMYCJHVSJLNNTL-VXGBXAGGSA-N 2 0 243.395 1.208 20 0 BDADRP C[C@H]1CN(CCOc2ccc(F)cc2)C[C@H]1[NH3+] ZINC000261540599 135179851 /nfs/dbraw/zinc/17/98/51/135179851.db2.gz GMWBUKTWUJGGEN-GXFFZTMASA-N 2 0 238.306 1.484 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000261544205 135185066 /nfs/dbraw/zinc/18/50/66/135185066.db2.gz IOYLIOOFQFWZFS-CYBMUJFWSA-N 2 0 208.349 1.718 20 0 BDADRP Cc1noc(C)c1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261544374 135185228 /nfs/dbraw/zinc/18/52/28/135185228.db2.gz DVLCVNPOGCKNSJ-UHTWSYAYSA-N 2 0 235.331 1.461 20 0 BDADRP C[NH2+]CC1CC[NH+](Cc2scnc2C)CC1 ZINC000084149511 135187970 /nfs/dbraw/zinc/18/79/70/135187970.db2.gz UTLDBLGGTDRBIB-UHFFFAOYSA-N 2 0 239.388 1.883 20 0 BDADRP CCC[NH+]1CCC(N[C@@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000261549282 135188687 /nfs/dbraw/zinc/18/86/87/135188687.db2.gz KIBDMJHXHMZNAV-GXTWGEPZSA-N 2 0 239.407 1.448 20 0 BDADRP CCC[C@](C)(CO)[NH2+]CC1CC[NH2+]CC1 ZINC000261551088 135190257 /nfs/dbraw/zinc/19/02/57/135190257.db2.gz QBPYOKUTSFDWAG-GFCCVEGCSA-N 2 0 214.353 1.127 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccco1 ZINC000084215329 135191873 /nfs/dbraw/zinc/19/18/73/135191873.db2.gz SZGBJBRRADNPLI-JQWIXIFHSA-N 2 0 208.305 1.887 20 0 BDADRP Cc1ccncc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261560524 135201337 /nfs/dbraw/zinc/20/13/37/135201337.db2.gz UTAQLBJGYTWVCI-UBHSHLNASA-N 2 0 231.343 1.559 20 0 BDADRP Cc1nn(C)c(C)c1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261564626 135206789 /nfs/dbraw/zinc/20/67/89/135206789.db2.gz XTWVIVHTFUOKRF-ZDUSSCGKSA-N 2 0 236.363 1.208 20 0 BDADRP Cc1nc(C)c(C[N@@H+]2CC[C@](C)(C[NH3+])C2)s1 ZINC000261564796 135207257 /nfs/dbraw/zinc/20/72/57/135207257.db2.gz CSAKKLIETVKQLK-GFCCVEGCSA-N 2 0 239.388 1.931 20 0 BDADRP Cc1nc(C)c(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])s1 ZINC000261566989 135209013 /nfs/dbraw/zinc/20/90/13/135209013.db2.gz DTETUVSVRXVWPQ-WDEREUQCSA-N 2 0 239.388 1.977 20 0 BDADRP Cc1cc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc[nH+]1 ZINC000261567761 135209436 /nfs/dbraw/zinc/20/94/36/135209436.db2.gz FBIBDPZHDGVHNO-NEPJUHHUSA-N 2 0 217.316 1.436 20 0 BDADRP C[C@@H](c1ccccn1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261573404 135215717 /nfs/dbraw/zinc/21/57/17/135215717.db2.gz IUFKMNGLDPXLOR-AAEUAGOBSA-N 2 0 219.332 1.813 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1cn[nH]c1 ZINC000261573838 135216132 /nfs/dbraw/zinc/21/61/32/135216132.db2.gz IZYMRRLVZRNZIU-JBLDHEPKSA-N 2 0 222.336 1.578 20 0 BDADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cocn2)C1 ZINC000261577020 135218697 /nfs/dbraw/zinc/21/86/97/135218697.db2.gz KTNXOGHHROCEPJ-SNVBAGLBSA-N 2 0 209.293 1.235 20 0 BDADRP C[C@@H]([NH3+])C[N@H+](C[C@@H](C)O)C1CCCCC1 ZINC000261580064 135220718 /nfs/dbraw/zinc/22/07/18/135220718.db2.gz MQHNJQGFDBSRBT-GHMZBOCLSA-N 2 0 214.353 1.349 20 0 BDADRP Cc1c[nH+]ccc1N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261583581 135224531 /nfs/dbraw/zinc/22/45/31/135224531.db2.gz PEOKOIDDPAPPLZ-QJPTWQEYSA-N 2 0 217.316 1.564 20 0 BDADRP COc1ccccc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261584040 135224776 /nfs/dbraw/zinc/22/47/76/135224776.db2.gz SAOPIEFKHCQPEO-UBHSHLNASA-N 2 0 246.354 1.864 20 0 BDADRP C[C@@](C[NH3+])([NH2+]CCOCC1CC1)C1CC1 ZINC000261585463 135227027 /nfs/dbraw/zinc/22/70/27/135227027.db2.gz QJTOLVWZJGRPNJ-LBPRGKRZSA-N 2 0 212.337 1.130 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1cnn(C)c1 ZINC000261586730 135227725 /nfs/dbraw/zinc/22/77/25/135227725.db2.gz RJZYVCGZEQMFLK-ZMLRMANQSA-N 2 0 222.336 1.341 20 0 BDADRP COc1ccsc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000261596816 135236158 /nfs/dbraw/zinc/23/61/58/135236158.db2.gz YXOPRGUBMRSKJL-VIFPVBQESA-N 2 0 226.345 1.537 20 0 BDADRP [NH3+]CCN1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000261606027 135237998 /nfs/dbraw/zinc/23/79/98/135237998.db2.gz BFLLZDGBRWJZSG-GFCCVEGCSA-N 2 0 239.750 1.245 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000261546569 135238762 /nfs/dbraw/zinc/23/87/62/135238762.db2.gz HAGOYBDCLXCZLJ-MRVWCRGKSA-N 2 0 234.318 1.995 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCCF)C[C@@H]21 ZINC000164402280 135240506 /nfs/dbraw/zinc/24/05/06/135240506.db2.gz TULZYEMYDRUIAB-GARJFASQSA-N 2 0 200.301 1.405 20 0 BDADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)[NH3+])CC(C)C ZINC000164407991 135243032 /nfs/dbraw/zinc/24/30/32/135243032.db2.gz AEMXVPOJXPEKDM-NEPJUHHUSA-N 2 0 243.395 1.206 20 0 BDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000261706997 135246652 /nfs/dbraw/zinc/24/66/52/135246652.db2.gz JTHAKSXQUPLSDV-ZWNOBZJWSA-N 2 0 247.342 1.075 20 0 BDADRP CC(C)[C@@H]1CCCCN1Cc1noc(CN)n1 ZINC000261725080 135248099 /nfs/dbraw/zinc/24/80/99/135248099.db2.gz LLIDLIXSWYOYMM-JTQLQIEISA-N 2 0 238.335 1.539 20 0 BDADRP CN(C[C@]1(C)CC[NH2+]C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000261731085 135248389 /nfs/dbraw/zinc/24/83/89/135248389.db2.gz HECVDVHFVAHRKL-ZIAGYGMSSA-N 2 0 237.391 1.155 20 0 BDADRP COCC(C)(C)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000261751432 135249964 /nfs/dbraw/zinc/24/99/64/135249964.db2.gz CERABGUFLOFIDP-NSHDSACASA-N 2 0 228.380 1.718 20 0 BDADRP CC(C)[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000261797704 135253528 /nfs/dbraw/zinc/25/35/28/135253528.db2.gz GQNHUTZXLCIDQK-OLZOCXBDSA-N 2 0 226.364 1.343 20 0 BDADRP CC[C@]1(C)COCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261813323 135255647 /nfs/dbraw/zinc/25/56/47/135255647.db2.gz HUQFQBFHJUOKQN-CYBMUJFWSA-N 2 0 226.364 1.487 20 0 BDADRP COC[C@@H]1CCCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261825215 135255845 /nfs/dbraw/zinc/25/58/45/135255845.db2.gz IPVDXDZERZZACS-ZIAGYGMSSA-N 2 0 240.391 1.735 20 0 BDADRP COC(=O)C(C)(C)CC[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000261831498 135256012 /nfs/dbraw/zinc/25/60/12/135256012.db2.gz JBVKQFVAPFAVNR-MNOVXSKESA-N 2 0 242.363 1.245 20 0 BDADRP CC[C@H]1C[C@@H](C)CN1Cc1noc(CN)n1 ZINC000261861253 135257793 /nfs/dbraw/zinc/25/77/93/135257793.db2.gz WLKSKRMGVZFWBB-BDAKNGLRSA-N 2 0 224.308 1.149 20 0 BDADRP C[C@@]1(C[N@@H+]2CCC[C@H](CC[NH3+])C2)CC[NH2+]C1 ZINC000261866378 135258011 /nfs/dbraw/zinc/25/80/11/135258011.db2.gz NZXYAMVBEWTCDS-CHWSQXEVSA-N 3 0 225.380 1.047 20 0 BDADRP C[C@]1(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)CC[NH2+]C1 ZINC000261866400 135258192 /nfs/dbraw/zinc/25/81/92/135258192.db2.gz NZXYAMVBEWTCDS-STQMWFEESA-N 3 0 225.380 1.047 20 0 BDADRP C[C@]1(C[N@@H+]2CC[C@H](O)C(C)(C)C2)CC[NH2+]C1 ZINC000261867826 135258431 /nfs/dbraw/zinc/25/84/31/135258431.db2.gz ODHSSCITLFOKPP-AAEUAGOBSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H](CNC1=[NH+]CCCN1)[N@@H+]1CCCC[C@@H]1C ZINC000261872600 135258941 /nfs/dbraw/zinc/25/89/41/135258941.db2.gz PDCCTNXEGVWDJD-RYUDHWBXSA-N 2 0 238.379 1.188 20 0 BDADRP COC1CCC([N@H+](C)C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261909180 135261660 /nfs/dbraw/zinc/26/16/60/135261660.db2.gz XTZSMOBUVVTQJD-RUXDESIVSA-N 2 0 240.391 1.875 20 0 BDADRP CCC1(CO)CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261932770 135264545 /nfs/dbraw/zinc/26/45/45/135264545.db2.gz CWYVHCPPUVFONB-CYBMUJFWSA-N 2 0 240.391 1.471 20 0 BDADRP C[C@@H]1C[C@@H](N(C)C[C@]2(C)CC[NH2+]C2)CC[N@@H+]1C ZINC000261947285 135264844 /nfs/dbraw/zinc/26/48/44/135264844.db2.gz FMQXIYLBHSKBJD-HZSPNIEDSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@@H]1[C@H](C)[N@H+](CC2CC[NH2+]CC2)CCN1C ZINC000261975195 135268908 /nfs/dbraw/zinc/26/89/08/135268908.db2.gz QSIJKTDHNUASNU-NEPJUHHUSA-N 2 0 225.380 1.010 20 0 BDADRP C[C@]1(C[N@@H+]2CCc3cc[nH]c(=O)c3C2)CC[NH2+]C1 ZINC000262012260 135272014 /nfs/dbraw/zinc/27/20/14/135272014.db2.gz MHWNSVFGRRFGBJ-AWEZNQCLSA-N 2 0 247.342 1.145 20 0 BDADRP CCCN(CC(=O)OCC)C[C@]1(C)CC[NH2+]C1 ZINC000262029467 135274271 /nfs/dbraw/zinc/27/42/71/135274271.db2.gz NYGYOAHMEHJQKK-CYBMUJFWSA-N 2 0 242.363 1.261 20 0 BDADRP CC(C)n1nccc1C[NH+]1CCC(C[NH3+])CC1 ZINC000262035813 135275238 /nfs/dbraw/zinc/27/52/38/135275238.db2.gz XRYVWSIGZWRHAW-UHFFFAOYSA-N 2 0 236.363 1.635 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000262048803 135275501 /nfs/dbraw/zinc/27/55/01/135275501.db2.gz ZJEOWIZEATZPEG-VXGBXAGGSA-N 2 0 226.364 1.472 20 0 BDADRP CCOC[C@@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262044556 135275509 /nfs/dbraw/zinc/27/55/09/135275509.db2.gz PNRVUJZZESORPO-OLZOCXBDSA-N 2 0 226.364 1.344 20 0 BDADRP C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)[C@H]1CCOC1 ZINC000262071220 135277150 /nfs/dbraw/zinc/27/71/50/135277150.db2.gz SBYIHKMVBXOGEV-ZDUSSCGKSA-N 2 0 238.375 1.489 20 0 BDADRP C[N@H+](CCOCC(F)F)[C@H]1CCC[NH2+]CC1 ZINC000262078567 135278198 /nfs/dbraw/zinc/27/81/98/135278198.db2.gz DPKZXKMRYAOIJX-JTQLQIEISA-N 2 0 236.306 1.342 20 0 BDADRP C[C@@]1(C[NH+]2CCC(c3cn[nH]c3)CC2)CC[NH2+]C1 ZINC000262086733 135278204 /nfs/dbraw/zinc/27/82/04/135278204.db2.gz ULFGZSBHIARZIC-CQSZACIVSA-N 2 0 248.374 1.589 20 0 BDADRP C[C@]1(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC[NH2+]C1 ZINC000262144492 135281597 /nfs/dbraw/zinc/28/15/97/135281597.db2.gz ZKHSEAZLCJCXFU-DGAVXFQQSA-N 3 0 237.391 1.045 20 0 BDADRP c1ccc2c(c1)C[C@H]([NH2+]CC1CC[NH2+]CC1)CO2 ZINC000262165974 135283155 /nfs/dbraw/zinc/28/31/55/135283155.db2.gz HIXWSZYKACBQIA-AWEZNQCLSA-N 2 0 246.354 1.579 20 0 BDADRP C[C@H](CCC(C)(C)C)[NH2+]C[C@]1(O)CCN(C)C1 ZINC000342598972 135300873 /nfs/dbraw/zinc/30/08/73/135300873.db2.gz QRLYMCPNOPCIDD-TZMCWYRMSA-N 2 0 242.407 1.857 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000262598928 135308115 /nfs/dbraw/zinc/30/81/15/135308115.db2.gz NLGFCEMGGAAWEY-YPMHNXCESA-N 2 0 243.395 1.336 20 0 BDADRP CCC[NH2+]CCNC(=O)[C@H]([NH3+])c1ccc(C)cc1 ZINC000262666904 135312518 /nfs/dbraw/zinc/31/25/18/135312518.db2.gz PXDNQYULKFDOND-CYBMUJFWSA-N 2 0 249.358 1.111 20 0 BDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCC1(C)C ZINC000342725670 135315172 /nfs/dbraw/zinc/31/51/72/135315172.db2.gz GTWXCUCYEKWHIC-STQMWFEESA-N 2 0 239.407 1.401 20 0 BDADRP [NH3+][C@H]1CCC[C@@H](NC(=O)C2([NH3+])CCCCC2)C1 ZINC000262757965 135317080 /nfs/dbraw/zinc/31/70/80/135317080.db2.gz FAEJVLVDHGRYEL-WDEREUQCSA-N 2 0 239.363 1.034 20 0 BDADRP C[C@H](CC1CCCC1)[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000263251017 135342764 /nfs/dbraw/zinc/34/27/64/135342764.db2.gz PXMLRUYCYAEAMG-RAIGVLPGSA-N 2 0 226.364 1.125 20 0 BDADRP CC[N@@H+]1C[C@@H](C)[C@H](NCCC[NH+](C)C(C)C)C1 ZINC000343153630 135366535 /nfs/dbraw/zinc/36/65/35/135366535.db2.gz DOGZDUYSWFMMMR-ZIAGYGMSSA-N 2 0 241.423 1.647 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H](C)C[C@@H](C)O)CC1 ZINC000164516267 135386952 /nfs/dbraw/zinc/38/69/52/135386952.db2.gz JCEZDKJIAJBBDQ-VXGBXAGGSA-N 2 0 228.380 1.610 20 0 BDADRP Cn1nccc1CN1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000334410644 135392643 /nfs/dbraw/zinc/39/26/43/135392643.db2.gz KPBNYZXEJHPQPA-GXTWGEPZSA-N 2 0 248.374 1.336 20 0 BDADRP C[C@@H](C[NH2+][C@@H]1CCCOCC1)C[NH+]1CCCC1 ZINC000086874590 135498153 /nfs/dbraw/zinc/49/81/53/135498153.db2.gz AWWTWSWUSLPNAS-UONOGXRCSA-N 2 0 240.391 1.877 20 0 BDADRP CC[C@H]1CC[C@@H]1[NH2+]CC1CC[NH+](CCO)CC1 ZINC000348103421 136036528 /nfs/dbraw/zinc/03/65/28/136036528.db2.gz BOVTTYSCUVMUID-KBPBESRZSA-N 2 0 240.391 1.469 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000348157206 136040699 /nfs/dbraw/zinc/04/06/99/136040699.db2.gz FHDZAQISDWSKHF-ZIAGYGMSSA-N 2 0 242.407 1.859 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@H]1CCC[C@@H]1CCO ZINC000348157204 136040852 /nfs/dbraw/zinc/04/08/52/136040852.db2.gz FHDZAQISDWSKHF-KGLIPLIRSA-N 2 0 242.407 1.859 20 0 BDADRP Oc1cccc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)c1 ZINC000335325859 136051712 /nfs/dbraw/zinc/05/17/12/136051712.db2.gz CQYOWDLDHCBGLS-LLVKDONJSA-N 2 0 243.310 1.762 20 0 BDADRP CC(C)([NH3+])CN1C[C@H]([NH3+])Cc2ccccc21 ZINC000335358440 136074975 /nfs/dbraw/zinc/07/49/75/136074975.db2.gz QGZKIHSINZXDSM-LLVKDONJSA-N 2 0 219.332 1.114 20 0 BDADRP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC1C[NH2+]C1 ZINC000335553439 136098847 /nfs/dbraw/zinc/09/88/47/136098847.db2.gz WDPYKAVBMPBSKL-YGRLFVJLSA-N 2 0 216.328 1.729 20 0 BDADRP CC[NH+](CC)[C@H]1CCN(C[C@H]2CCC[N@@H+]2C)C1 ZINC000649545674 397936297 /nfs/dbraw/zinc/93/62/97/397936297.db2.gz NJKFGRMXUXVQMU-KGLIPLIRSA-N 2 0 239.407 1.497 20 0 BDADRP COC[C@@H](C)[NH2+]CCC[N@H+](C)CC(C)C ZINC000650130392 397938135 /nfs/dbraw/zinc/93/81/35/397938135.db2.gz SFMGUQKBRUONOC-GFCCVEGCSA-N 2 0 216.369 1.589 20 0 BDADRP C[C@H]([NH3+])CC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000358915300 397943415 /nfs/dbraw/zinc/94/34/15/397943415.db2.gz OFCAVRIQHUGQRR-LBPRGKRZSA-N 2 0 249.358 1.101 20 0 BDADRP CC[N@@H+]1CCN(C[C@H]2CCC[NH+]2C)C[C@H]1C ZINC000649567611 397959212 /nfs/dbraw/zinc/95/92/12/397959212.db2.gz XXJTUGMUJRHVMX-CHWSQXEVSA-N 2 0 225.380 1.107 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CN1CC[NH+](C)CC1(C)C ZINC000649572003 397959635 /nfs/dbraw/zinc/95/96/35/397959635.db2.gz GIUXUAQSKBVWCY-GFCCVEGCSA-N 2 0 225.380 1.107 20 0 BDADRP C[C@@H]1CN(C[C@H]2CCC[NH+]2C)[C@@H](C)C[N@@H+]1C ZINC000649572917 397963874 /nfs/dbraw/zinc/96/38/74/397963874.db2.gz NGTRDOBUJWEZMB-FRRDWIJNSA-N 2 0 225.380 1.105 20 0 BDADRP [NH3+]C1(c2noc([C@@H]3CC[C@H](C4CC4)[NH2+]3)n2)CCC1 ZINC000650227694 397997342 /nfs/dbraw/zinc/99/73/42/397997342.db2.gz IWRWTXYLRHPAEZ-ZJUUUORDSA-N 2 0 248.330 1.611 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000414648250 398002045 /nfs/dbraw/zinc/00/20/45/398002045.db2.gz AUEURSIASMOHPX-RWMBFGLXSA-N 2 0 227.396 1.562 20 0 BDADRP C[C@H]1CCC[C@@]1(O)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000383194384 398010026 /nfs/dbraw/zinc/01/00/26/398010026.db2.gz SRHLGPWKPZOEAP-REWJHTLYSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)C[NH+](C)C ZINC000383660651 398032989 /nfs/dbraw/zinc/03/29/89/398032989.db2.gz JGMCYRIOWVKLPN-OLZOCXBDSA-N 3 0 241.423 1.504 20 0 BDADRP CC[C@@H]1C[N@H+](Cc2cccc(N)c2)CC[C@H]1[NH3+] ZINC000647934806 398034187 /nfs/dbraw/zinc/03/41/87/398034187.db2.gz REJIQZRGBQEURW-TZMCWYRMSA-N 2 0 233.359 1.828 20 0 BDADRP C[NH2+]C[C@H](C)CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000414851177 398059542 /nfs/dbraw/zinc/05/95/42/398059542.db2.gz OURGNAWYFNNXMW-XDQVBPFNSA-N 2 0 239.407 1.352 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)NC[C@H]1CCC[NH2+]C1 ZINC000414853934 398061133 /nfs/dbraw/zinc/06/11/33/398061133.db2.gz LNCOVSVLUGYGAB-AGIUHOORSA-N 2 0 225.380 1.106 20 0 BDADRP C[NH2+]CCC[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000414860291 398066784 /nfs/dbraw/zinc/06/67/84/398066784.db2.gz PDUDUEPZIJNYGD-UHFFFAOYSA-N 2 0 244.342 1.571 20 0 BDADRP C[C@H]1CCC[C@H](C[NH2+]CCN2CC[NH2+]CC2)C1 ZINC000414887986 398082782 /nfs/dbraw/zinc/08/27/82/398082782.db2.gz RPLTZLHPENXDCM-KBPBESRZSA-N 2 0 239.407 1.308 20 0 BDADRP CC[N@H+](CCc1cncn1C)[C@@H]1CCCOC1 ZINC000649755061 398085551 /nfs/dbraw/zinc/08/55/51/398085551.db2.gz DEPSRRWYCIXXLU-CYBMUJFWSA-N 2 0 237.347 1.464 20 0 BDADRP C[C@H](CCO)[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000121344216 398087923 /nfs/dbraw/zinc/08/79/23/398087923.db2.gz NZUMGIFRDMEFRV-DDHJBXDOSA-N 2 0 214.353 1.076 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000384711458 398103775 /nfs/dbraw/zinc/10/37/75/398103775.db2.gz GKZAHRRNLAQORW-NJMOYASZSA-N 2 0 226.364 1.673 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000393915703 398125061 /nfs/dbraw/zinc/12/50/61/398125061.db2.gz SRDFDBKAXUCHOF-YNEHKIRRSA-N 2 0 226.364 1.628 20 0 BDADRP CC(C)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000108372353 167094816 /nfs/dbraw/zinc/09/48/16/167094816.db2.gz XQCWUDNNBMJHKN-GFCCVEGCSA-N 2 0 226.364 1.485 20 0 BDADRP [NH3+]CCCN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000257738974 322873703 /nfs/dbraw/zinc/87/37/03/322873703.db2.gz AABVSCCYRSYLIX-CYBMUJFWSA-N 2 0 225.380 1.286 20 0 BDADRP COC[C@@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000238330540 487572888 /nfs/dbraw/zinc/57/28/88/487572888.db2.gz VPYBCACWFKIVHG-LBPRGKRZSA-N 2 0 212.337 1.097 20 0 BDADRP CC(C)OCCC[NH2+][C@H](C)CCCC[NH3+] ZINC000336713637 167224297 /nfs/dbraw/zinc/22/42/97/167224297.db2.gz VRKAHDPFBQJDPV-GFCCVEGCSA-N 2 0 216.369 1.909 20 0 BDADRP CC(C)OC1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000568087381 322912531 /nfs/dbraw/zinc/91/25/31/322912531.db2.gz CFZINNXDUJNFSE-CQSZACIVSA-N 2 0 240.391 1.875 20 0 BDADRP COCCN(C)CC[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000086935893 487587538 /nfs/dbraw/zinc/58/75/38/487587538.db2.gz DXKOKXWMZAZDTM-QWRGUYRKSA-N 2 0 232.393 1.048 20 0 BDADRP CC(C)OC[C@@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000336762689 167258999 /nfs/dbraw/zinc/25/89/99/167258999.db2.gz OJPCDFIMYWYVBH-VXGBXAGGSA-N 2 0 216.369 1.730 20 0 BDADRP CCOc1cc(C[NH2+]CCC[NH3+])ccc1OC ZINC000037713454 487599793 /nfs/dbraw/zinc/59/97/93/487599793.db2.gz IDJHEGMLYRCYBG-UHFFFAOYSA-N 2 0 238.331 1.532 20 0 BDADRP C([C@@H]1C[C@H]2C[C@H]2C1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000662264598 409560430 /nfs/dbraw/zinc/56/04/30/409560430.db2.gz DXMPPBOZSHPHLN-CRWXNKLISA-N 2 0 220.360 1.718 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)C1CCC1 ZINC000662267415 409570582 /nfs/dbraw/zinc/57/05/82/409570582.db2.gz VEZVTBBFIQCCDV-ZIAGYGMSSA-N 2 0 238.375 1.487 20 0 BDADRP CO[C@@H](C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)C1CCC1 ZINC000662267411 409568981 /nfs/dbraw/zinc/56/89/81/409568981.db2.gz VEZVTBBFIQCCDV-UONOGXRCSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@H]1C ZINC000662253590 409551226 /nfs/dbraw/zinc/55/12/26/409551226.db2.gz ANXOVWXQOTXFRC-TUAOUCFPSA-N 2 0 224.348 1.095 20 0 BDADRP C[NH+](C)CCC[C@H]1C[N@H+](CC2CCC2)CCO1 ZINC000662318903 409637428 /nfs/dbraw/zinc/63/74/28/409637428.db2.gz ARPUVEORNFXOMX-AWEZNQCLSA-N 2 0 240.391 1.829 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@](C)(C[NH3+])C1)C1CCCC1 ZINC000662274793 409584215 /nfs/dbraw/zinc/58/42/15/409584215.db2.gz ZYDZMYHFHSWXJS-ZIAGYGMSSA-N 2 0 240.391 1.862 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C(=O)N(C)CC(C)(C)[NH3+])cc1 ZINC000662606065 409779777 /nfs/dbraw/zinc/77/97/77/409779777.db2.gz XSXIXJYFEOSFPO-SNVBAGLBSA-N 2 0 249.358 1.516 20 0 BDADRP CN(CC(C)(C)[NH3+])C(=O)c1ccc2c[nH+]cn2c1 ZINC000662606639 409780373 /nfs/dbraw/zinc/78/03/73/409780373.db2.gz URYGCXKBEHDIEV-UHFFFAOYSA-N 2 0 246.314 1.144 20 0 BDADRP CCO[C@@H]1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000062911917 409986290 /nfs/dbraw/zinc/98/62/90/409986290.db2.gz QVLZIAVJODMHJS-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP CC(C)C[N@H+](C)CCCNC(=O)C(C)(C)C[NH3+] ZINC000653175934 410153042 /nfs/dbraw/zinc/15/30/42/410153042.db2.gz GIUOGKKGPHKXQU-UHFFFAOYSA-N 2 0 243.395 1.065 20 0 BDADRP C[NH2+]Cc1ccccc1CNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000653213992 410165736 /nfs/dbraw/zinc/16/57/36/410165736.db2.gz BKMFCPXEQXQTER-WDEREUQCSA-N 2 0 249.358 1.006 20 0 BDADRP C[C@H]1CCCN(C(=O)CCCC[NH3+])[C@H]1CC[NH3+] ZINC000653240840 410181946 /nfs/dbraw/zinc/18/19/46/410181946.db2.gz TYCWWVAHMHZHRU-RYUDHWBXSA-N 2 0 241.379 1.091 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@H](C)C[C@H]1CCC[NH2+]1 ZINC000663501603 410277820 /nfs/dbraw/zinc/27/78/20/410277820.db2.gz ABGLBLSBAJOEGJ-JHJVBQTASA-N 2 0 227.396 1.480 20 0 BDADRP C[C@@H]1CCCN(C[C@H]2CCC[NH2+]C2)[C@H]1CC[NH3+] ZINC000650711749 410341748 /nfs/dbraw/zinc/34/17/48/410341748.db2.gz CAHXNKVQQXSKLQ-RDBSUJKOSA-N 3 0 239.407 1.435 20 0 BDADRP Cc1ccc(C[NH2+]CCC2(C[NH3+])CC2)nc1 ZINC000650712584 410341995 /nfs/dbraw/zinc/34/19/95/410341995.db2.gz LDEQJVUNVKWORY-UHFFFAOYSA-N 2 0 219.332 1.609 20 0 BDADRP CCc1ncc(C[NH2+]CCC2(C[NH3+])CC2)s1 ZINC000650712518 410342683 /nfs/dbraw/zinc/34/26/83/410342683.db2.gz HTLMQWONTQJBTM-UHFFFAOYSA-N 2 0 239.388 1.924 20 0 BDADRP C[C@@H]1CCCN(C[C@H]2CCC[NH2+]C2)[C@@H]1CC[NH3+] ZINC000650711746 410342735 /nfs/dbraw/zinc/34/27/35/410342735.db2.gz CAHXNKVQQXSKLQ-HZSPNIEDSA-N 3 0 239.407 1.435 20 0 BDADRP Cc1n[nH]c(C)c1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650712887 410344711 /nfs/dbraw/zinc/34/47/11/410344711.db2.gz ZRUGWWVVPGOWSS-UHFFFAOYSA-N 2 0 222.336 1.245 20 0 BDADRP C[C@@H](CO)C1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000650714924 410348424 /nfs/dbraw/zinc/34/84/24/410348424.db2.gz HPZMFVYAMXXKCE-GXTWGEPZSA-N 2 0 240.391 1.326 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CNc3ccccc3C2)CC[NH2+]C1 ZINC000650714989 410348773 /nfs/dbraw/zinc/34/87/73/410348773.db2.gz KLGBGXKZIMYQKT-ZFWWWQNUSA-N 2 0 245.370 1.612 20 0 BDADRP c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)CN2 ZINC000650715173 410351976 /nfs/dbraw/zinc/35/19/76/410351976.db2.gz SLZQPIDISWNZEP-UONOGXRCSA-N 2 0 245.370 1.755 20 0 BDADRP COCCC[C@@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650763483 410415280 /nfs/dbraw/zinc/41/52/80/410415280.db2.gz BEQDVFPMSVYSMV-GFCCVEGCSA-N 2 0 228.380 1.781 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+]CC1(C[NH3+])CC1 ZINC000650720621 410359329 /nfs/dbraw/zinc/35/93/29/410359329.db2.gz WAPQUGJSCZCESA-UHFFFAOYSA-N 2 0 233.359 1.235 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CCC(CC[NH3+])CC1 ZINC000650722284 410360997 /nfs/dbraw/zinc/36/09/97/410360997.db2.gz ORIRZBCIDIIMKP-CYBMUJFWSA-N 3 0 227.396 1.421 20 0 BDADRP Cn1ncc2c1CCC[C@H]2[NH2+]CCC1(C[NH3+])CC1 ZINC000650744182 410380895 /nfs/dbraw/zinc/38/08/95/410380895.db2.gz IEVBWBWATCTEQW-GFCCVEGCSA-N 2 0 248.374 1.516 20 0 BDADRP CCn1ccnc1[C@@H](C)[NH2+]CCC1(C[NH3+])CC1 ZINC000650746892 410384404 /nfs/dbraw/zinc/38/44/04/410384404.db2.gz NBIJXZVESGLCFL-LLVKDONJSA-N 2 0 236.363 1.683 20 0 BDADRP [NH3+]CC1(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000650746027 410384488 /nfs/dbraw/zinc/38/44/88/410384488.db2.gz ULMWNQKYFFRZBM-STQMWFEESA-N 2 0 237.391 1.332 20 0 BDADRP COC[C@@H]([NH2+]CCC1(C[NH3+])CC1)C1CCCC1 ZINC000650747096 410385094 /nfs/dbraw/zinc/38/50/94/410385094.db2.gz RQLXAIJSDQSHHY-CYBMUJFWSA-N 2 0 240.391 1.910 20 0 BDADRP [NH3+]CC1(CC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000650747522 410388191 /nfs/dbraw/zinc/38/81/91/410388191.db2.gz BSYYBXZHBYFYIX-KBPBESRZSA-N 3 0 245.370 1.850 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CNc2ccccc2C1 ZINC000650747463 410388611 /nfs/dbraw/zinc/38/86/11/410388611.db2.gz AKGHBJDWZDZHAG-GVXVVHGQSA-N 2 0 233.359 1.739 20 0 BDADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccncn1 ZINC000650748692 410390950 /nfs/dbraw/zinc/39/09/50/410390950.db2.gz ZWVTYVBLHLZCJC-SNVBAGLBSA-N 2 0 220.320 1.256 20 0 BDADRP C[NH2+]Cc1ccccc1CN[C@H]1C[NH2+]CC[C@H]1C ZINC000650755575 410401925 /nfs/dbraw/zinc/40/19/25/410401925.db2.gz IEQMWKDZCUAVAS-DOMZBBRYSA-N 2 0 247.386 1.494 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1cn[nH]c1 ZINC000650756525 410402415 /nfs/dbraw/zinc/40/24/15/410402415.db2.gz CUOOKXDAMGCESA-LLVKDONJSA-N 2 0 244.342 1.980 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000650755557 410403055 /nfs/dbraw/zinc/40/30/55/410403055.db2.gz HPGFZMHESKPZSJ-NEPJUHHUSA-N 3 0 235.375 1.621 20 0 BDADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccnn1C ZINC000650763167 410411948 /nfs/dbraw/zinc/41/19/48/410411948.db2.gz SWJHZXNRYZCYHO-LLVKDONJSA-N 2 0 236.363 1.460 20 0 BDADRP CO[C@@H](C)[C@@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650763652 410414400 /nfs/dbraw/zinc/41/44/00/410414400.db2.gz GNYHJWBQQCXBEE-MNOVXSKESA-N 2 0 214.353 1.389 20 0 BDADRP CCO[C@H]1CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000219861902 410580912 /nfs/dbraw/zinc/58/09/12/410580912.db2.gz QVLZIAVJODMHJS-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@H]2CCSC2)CC[C@H]1[NH3+] ZINC000300231725 410616577 /nfs/dbraw/zinc/61/65/77/410616577.db2.gz INXFWLATGFKOAH-IJLUTSLNSA-N 2 0 228.405 1.799 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](CO)C2CCC2)C1 ZINC000665234844 410726527 /nfs/dbraw/zinc/72/65/27/410726527.db2.gz KRNFKVWAOFZXNM-WOPDTQHZSA-N 2 0 212.337 1.007 20 0 BDADRP CC[C@H]1C[N@H+](CCc2cn[nH]c2)CC[C@H]1[NH3+] ZINC000393760410 410760707 /nfs/dbraw/zinc/76/07/07/410760707.db2.gz KVXFDTACKKDBGB-NWDGAFQWSA-N 2 0 222.336 1.011 20 0 BDADRP CC[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)C(C)(C)O ZINC000394008840 410774693 /nfs/dbraw/zinc/77/46/93/410774693.db2.gz GWRNUBDGMGBBIX-DGCLKSJQSA-N 2 0 242.407 1.856 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)CN1CCS[C@H](C)C1 ZINC000309302482 410791564 /nfs/dbraw/zinc/79/15/64/410791564.db2.gz YVPQKEYJAHRNHJ-VXGBXAGGSA-N 2 0 246.420 1.125 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)[C@@H](C)O1 ZINC000395042841 410834583 /nfs/dbraw/zinc/83/45/83/410834583.db2.gz JVSJPWKAAJOYTP-KKOKHZNYSA-N 2 0 212.337 1.284 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCCCN1)C1CC[NH+](C)CC1 ZINC000396452290 410881818 /nfs/dbraw/zinc/88/18/18/410881818.db2.gz VPMJKHZLSSISNS-GXTWGEPZSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cccc(N)c1 ZINC000653299418 410819705 /nfs/dbraw/zinc/81/97/05/410819705.db2.gz SUAAUWQMZRGCLT-ZWNOBZJWSA-N 2 0 219.332 1.580 20 0 BDADRP C[C@H]([NH3+])CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000040802647 410890805 /nfs/dbraw/zinc/89/08/05/410890805.db2.gz BHDBPITYZSSVMF-AAEUAGOBSA-N 2 0 249.358 1.143 20 0 BDADRP CC(C)[NH2+]C1CC[NH+](CC2CCOCC2)CC1 ZINC000112697667 167094004 /nfs/dbraw/zinc/09/40/04/167094004.db2.gz IPSOUZXEQHUWJY-UHFFFAOYSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000108372350 167094810 /nfs/dbraw/zinc/09/48/10/167094810.db2.gz XQCWUDNNBMJHKN-LBPRGKRZSA-N 2 0 226.364 1.485 20 0 BDADRP CC1(C)COC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400919097 411162927 /nfs/dbraw/zinc/16/29/27/411162927.db2.gz IQLAGXSMMDQPIP-LOWDOPEQSA-N 2 0 238.375 1.389 20 0 BDADRP CC(C)=CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400927319 411162997 /nfs/dbraw/zinc/16/29/97/411162997.db2.gz MQLAQJGMZGVPGZ-FRRDWIJNSA-N 2 0 208.349 1.930 20 0 BDADRP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCCOC1 ZINC000400918322 411163409 /nfs/dbraw/zinc/16/34/09/411163409.db2.gz DTZHLJIOOXYYER-XDQVBPFNSA-N 2 0 238.375 1.391 20 0 BDADRP CC(C)C[N@H+](C)CCCN[C@@H]1C[NH+](C)C[C@H]1C ZINC000651865666 411147837 /nfs/dbraw/zinc/14/78/37/411147837.db2.gz CPUZCZURDWCWFF-ZIAGYGMSSA-N 2 0 241.423 1.504 20 0 BDADRP CC(C)C[N@H+](C)CCCNCc1nccn1C ZINC000651865969 411147914 /nfs/dbraw/zinc/14/79/14/411147914.db2.gz OVAQZIXHKWGVGX-UHFFFAOYSA-N 2 0 238.379 1.488 20 0 BDADRP C[C@H](O)C[N@H+](CCC1CC[NH2+]CC1)C1CC1 ZINC000655949021 411161214 /nfs/dbraw/zinc/16/12/14/411161214.db2.gz KGZMYIYVMWDLTQ-NSHDSACASA-N 2 0 226.364 1.221 20 0 BDADRP CCC(C)(C)[NH+]1CCN(CCC[NH3+])CC1 ZINC000655948391 411161235 /nfs/dbraw/zinc/16/12/35/411161235.db2.gz ZCNVIBKZYLNPCU-UHFFFAOYSA-N 2 0 213.369 1.141 20 0 BDADRP CC[NH+](CC)[C@H]1CCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000110370794 169801661 /nfs/dbraw/zinc/80/16/61/169801661.db2.gz SXCZSANCYCJVAQ-UONOGXRCSA-N 2 0 239.407 1.402 20 0 BDADRP c1ccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000400993084 411168511 /nfs/dbraw/zinc/16/85/11/411168511.db2.gz ARWSOYOQYPIGQQ-GZBFAFLISA-N 2 0 245.370 1.602 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C2CC2)C1 ZINC000653677735 411169777 /nfs/dbraw/zinc/16/97/77/411169777.db2.gz BUUYCSXGOBLBNI-KBPBESRZSA-N 2 0 240.391 1.421 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cnn(C)c1 ZINC000401038171 411173112 /nfs/dbraw/zinc/17/31/12/411173112.db2.gz SEZUEAWCQNAJPN-CIQGVGRVSA-N 2 0 248.374 1.459 20 0 BDADRP C1=C(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCOC1 ZINC000401026414 411173636 /nfs/dbraw/zinc/17/36/36/411173636.db2.gz JRNXEVPYXYFAFV-BFHYXJOUSA-N 2 0 236.359 1.311 20 0 BDADRP C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401028675 411173640 /nfs/dbraw/zinc/17/36/40/411173640.db2.gz KKLQDNQWIYKBJE-SJHCENCUSA-N 2 0 240.416 1.716 20 0 BDADRP c1cn(CCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000401049001 411174651 /nfs/dbraw/zinc/17/46/51/411174651.db2.gz XIXFPBOPCPQTHE-MELADBBJSA-N 2 0 248.374 1.251 20 0 BDADRP Cc1n[nH]cc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401115938 411176995 /nfs/dbraw/zinc/17/69/95/411176995.db2.gz IJGFHZPTHQASHW-NTZNESFSSA-N 2 0 234.347 1.196 20 0 BDADRP C1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CS1 ZINC000401156957 411177647 /nfs/dbraw/zinc/17/76/47/411177647.db2.gz ROSKICJGMASUNK-YFKTTZPYSA-N 2 0 226.389 1.470 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)O1 ZINC000401151794 411177709 /nfs/dbraw/zinc/17/77/09/411177709.db2.gz PUHFWTBDWWEHFN-XVIXHAIJSA-N 2 0 238.375 1.532 20 0 BDADRP C1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CS1 ZINC000401156954 411178134 /nfs/dbraw/zinc/17/81/34/411178134.db2.gz ROSKICJGMASUNK-KKOKHZNYSA-N 2 0 226.389 1.470 20 0 BDADRP C[C@](O)(C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000401172740 411179277 /nfs/dbraw/zinc/17/92/77/411179277.db2.gz XJRYDWSXAXMQAQ-VTPLQMEGSA-N 2 0 238.375 1.125 20 0 BDADRP COc1c(C)ncnc1NCC(C)(C)[NH+](C)C ZINC000656106166 411179813 /nfs/dbraw/zinc/17/98/13/411179813.db2.gz YQVQPCMWWMUJBS-UHFFFAOYSA-N 2 0 238.335 1.546 20 0 BDADRP CCOCC[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404309027 411183152 /nfs/dbraw/zinc/18/31/52/411183152.db2.gz JMNPKXJPFYBAKE-RYUDHWBXSA-N 2 0 214.353 1.472 20 0 BDADRP C(CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C[NH+]1CCC1 ZINC000655754171 411184397 /nfs/dbraw/zinc/18/43/97/411184397.db2.gz LAPHFZGUIYGJOL-ZIAGYGMSSA-N 2 0 237.391 1.299 20 0 BDADRP c1ccc2c(CNCCC[NH+]3CCC3)n[nH]c2c1 ZINC000655755207 411185936 /nfs/dbraw/zinc/18/59/36/411185936.db2.gz SKKAJJJJYCWWCI-UHFFFAOYSA-N 2 0 244.342 1.748 20 0 BDADRP CC(C)CC[C@H](O)C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656154665 411188314 /nfs/dbraw/zinc/18/83/14/411188314.db2.gz ZMSSQDVNANBJQV-MJBXVCDLSA-N 2 0 242.407 1.713 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1CCCC[NH2+]1 ZINC000656199679 411202599 /nfs/dbraw/zinc/20/25/99/411202599.db2.gz AWKZURVZDGZXLY-MQYQWHSLSA-N 3 0 239.407 1.447 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCn3ccnc3C2)C1 ZINC000656197947 411202613 /nfs/dbraw/zinc/20/26/13/411202613.db2.gz FFYHBOYIOIHERD-IJLUTSLNSA-N 2 0 234.347 1.057 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1CCCC[NH2+]1 ZINC000656199677 411202976 /nfs/dbraw/zinc/20/29/76/411202976.db2.gz AWKZURVZDGZXLY-FQUUOJAGSA-N 3 0 239.407 1.447 20 0 BDADRP CCC[N@@H+]1CC[C@H](CN[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000656198202 411203080 /nfs/dbraw/zinc/20/30/80/411203080.db2.gz MOSHYDYODLHDLB-RDBSUJKOSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@H](C[C@@H]1CCOC1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000656197437 411203460 /nfs/dbraw/zinc/20/34/60/411203460.db2.gz JDIJCPILGFTLIW-VOAKCMCISA-N 2 0 226.364 1.661 20 0 BDADRP Cc1occc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000656198102 411203487 /nfs/dbraw/zinc/20/34/87/411203487.db2.gz DYRLMLDKUOTEBQ-NEPJUHHUSA-N 2 0 208.305 1.948 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000656200387 411204531 /nfs/dbraw/zinc/20/45/31/411204531.db2.gz LURBMTFQOXCYCW-RDBSUJKOSA-N 3 0 239.407 1.578 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000656200386 411205097 /nfs/dbraw/zinc/20/50/97/411205097.db2.gz LURBMTFQOXCYCW-MGPQQGTHSA-N 3 0 239.407 1.578 20 0 BDADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCCC1CC1 ZINC000656200941 411205773 /nfs/dbraw/zinc/20/57/73/411205773.db2.gz ZOIYPIPPXWEQDX-CYZMBNFOSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656201182 411206191 /nfs/dbraw/zinc/20/61/91/411206191.db2.gz ULMNJOLGQUHUPG-YIYPIFLZSA-N 2 0 239.407 1.304 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652360800 411216035 /nfs/dbraw/zinc/21/60/35/411216035.db2.gz QOYXAVJEWNGDCJ-TUAOUCFPSA-N 2 0 212.337 1.367 20 0 BDADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cccnc1)C2 ZINC000310175921 411218585 /nfs/dbraw/zinc/21/85/85/411218585.db2.gz VDSUSPSFJQPPBZ-KBPBESRZSA-N 2 0 231.343 1.642 20 0 BDADRP CC(C)[C@@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000658107288 411247115 /nfs/dbraw/zinc/24/71/15/411247115.db2.gz GKYQRVCOECFEPF-UONOGXRCSA-N 2 0 243.439 1.893 20 0 BDADRP CC[N@H+](CCN[C@H]1CCCCC[C@H]1[NH3+])C1CC1 ZINC000422883708 411233671 /nfs/dbraw/zinc/23/36/71/411233671.db2.gz VKTUNLYJJQJGOE-KGLIPLIRSA-N 2 0 239.407 1.720 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CCC[NH2+]1 ZINC000423173581 411236771 /nfs/dbraw/zinc/23/67/71/411236771.db2.gz ZGYOWLUECJAZIS-LBELIVKGSA-N 2 0 208.349 1.905 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)CC1CCCC1 ZINC000310508474 411239789 /nfs/dbraw/zinc/23/97/89/411239789.db2.gz JRIJQCHYQWAVJS-AWEZNQCLSA-N 2 0 242.407 1.810 20 0 BDADRP CCC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)COC1 ZINC000400907233 411165574 /nfs/dbraw/zinc/16/55/74/411165574.db2.gz BWXBBBHCPZYHFG-FRRDWIJNSA-N 2 0 238.375 1.391 20 0 BDADRP c1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)co1 ZINC000400947317 411165740 /nfs/dbraw/zinc/16/57/40/411165740.db2.gz DEIHEMLXYLGPTF-JHJVBQTASA-N 2 0 220.316 1.757 20 0 BDADRP C1[NH2+]C[C@H]2C[C@H]([NH2+]C3CCOCC3)CC[C@H]12 ZINC000400969677 411166591 /nfs/dbraw/zinc/16/65/91/411166591.db2.gz LYENRCWIVVQQCQ-NQBHXWOUSA-N 2 0 224.348 1.143 20 0 BDADRP C1[NH2+]C[C@H]2CC[C@@H]([NH2+]C3CCOCC3)C[C@@H]12 ZINC000400969680 411166809 /nfs/dbraw/zinc/16/68/09/411166809.db2.gz LYENRCWIVVQQCQ-NTZNESFSSA-N 2 0 224.348 1.143 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400974543 411167154 /nfs/dbraw/zinc/16/71/54/411167154.db2.gz OJCPVLGQMKQPNC-MGPQQGTHSA-N 3 0 239.407 1.306 20 0 BDADRP CC[C@@H]1C[N@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000050952670 411268983 /nfs/dbraw/zinc/26/89/83/411268983.db2.gz PUGHFNVCKJCEAK-CQSZACIVSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000050952280 411269361 /nfs/dbraw/zinc/26/93/61/411269361.db2.gz JFWYGUYIMQQCRF-BETUJISGSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@H]1COCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000050952757 411269594 /nfs/dbraw/zinc/26/95/94/411269594.db2.gz AYEQQSFLLOLENG-AWEZNQCLSA-N 2 0 240.391 1.877 20 0 BDADRP CC(C)(C[NH3+])NC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000659297944 411278230 /nfs/dbraw/zinc/27/82/30/411278230.db2.gz NOQRBBHMRLHPMM-LBPRGKRZSA-N 2 0 247.342 1.075 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C1 ZINC000643509385 411279880 /nfs/dbraw/zinc/27/98/80/411279880.db2.gz KUGIHFYUYCTGGE-YNEHKIRRSA-N 2 0 226.364 1.533 20 0 BDADRP CC[NH2+]CC1CC[NH+](C[C@@H]2CC[C@@H](C)O2)CC1 ZINC000129402468 411282236 /nfs/dbraw/zinc/28/22/36/411282236.db2.gz RESCQZBHBWTISC-OCCSQVGLSA-N 2 0 240.391 1.875 20 0 BDADRP CCC[NH2+]CC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000643515252 411285431 /nfs/dbraw/zinc/28/54/31/411285431.db2.gz SWKCWYPBSUXJCE-LBPRGKRZSA-N 3 0 227.396 1.306 20 0 BDADRP O[C@@H]1CCCC[C@H]1[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000656696025 411332746 /nfs/dbraw/zinc/33/27/46/411332746.db2.gz CCLROUGAXBSXTD-MGPQQGTHSA-N 2 0 249.358 1.824 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403660842 411352579 /nfs/dbraw/zinc/35/25/79/411352579.db2.gz LVFBJTKEFPDCGD-NWBUJAPZSA-N 2 0 208.349 1.892 20 0 BDADRP [NH3+]C[C@@H](NCc1ccc2c(c1)C[NH2+]CC2)C1CC1 ZINC000656785230 411356384 /nfs/dbraw/zinc/35/63/84/411356384.db2.gz FUEVSFDEDVMIML-OAHLLOKOSA-N 2 0 245.370 1.159 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc2c(c1)C[NH2+]CC2 ZINC000656787465 411365883 /nfs/dbraw/zinc/36/58/83/411365883.db2.gz ZATAMRHOJFKCSO-GFCCVEGCSA-N 3 0 247.386 1.549 20 0 BDADRP c1cc2c(cc1C[NH2+]C1CC[NH2+]CC1)C[NH2+]CC2 ZINC000656786423 411366390 /nfs/dbraw/zinc/36/63/90/411366390.db2.gz MNERHKNHXQNYJT-UHFFFAOYSA-N 3 0 245.370 1.174 20 0 BDADRP [NH3+]C1(C[NH2+][C@H]2CCCSC2)CCCC1 ZINC000656789611 411369053 /nfs/dbraw/zinc/36/90/53/411369053.db2.gz SSYNEDBNVKTIOT-JTQLQIEISA-N 2 0 214.378 1.743 20 0 BDADRP [NH3+]C1(C[NH2+][C@H]2CCCOCC2)CCCC1 ZINC000656789652 411369481 /nfs/dbraw/zinc/36/94/81/411369481.db2.gz UOIIFJFQOXRKMW-NSHDSACASA-N 2 0 212.337 1.417 20 0 BDADRP CC[N@@H+]1CC[C@@H](NCC2([NH3+])CCCC2)[C@H](C)C1 ZINC000656789592 411369650 /nfs/dbraw/zinc/36/96/50/411369650.db2.gz RSXZCJCXHVYNSI-CHWSQXEVSA-N 2 0 239.407 1.578 20 0 BDADRP CC[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)[C@@H](C)CO1 ZINC000404068223 411374296 /nfs/dbraw/zinc/37/42/96/411374296.db2.gz LCVFLMYDEZISJP-RWMBFGLXSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCOC2(C)C)CC[N@@H+]1C ZINC000658330419 411337749 /nfs/dbraw/zinc/33/77/49/411337749.db2.gz JGPXGNFKBMKDHN-UPJWGTAASA-N 2 0 240.391 1.874 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H]2C[C@]2(C)OC)CC1 ZINC000658334021 411341844 /nfs/dbraw/zinc/34/18/44/411341844.db2.gz ATVAJCUTRUSDTK-OLZOCXBDSA-N 2 0 226.364 1.628 20 0 BDADRP C[C@H]1C[C@@H](O)C[N@H+](CCCc2cncn2C)C1 ZINC000401832493 411346210 /nfs/dbraw/zinc/34/62/10/411346210.db2.gz MUTSUCITRGHWPL-WCQYABFASA-N 2 0 237.347 1.055 20 0 BDADRP CC1(C[NH2+]CCCCNc2ccccn2)COC1 ZINC000286263612 168041441 /nfs/dbraw/zinc/04/14/41/168041441.db2.gz BCOWJWJAOHYLLX-UHFFFAOYSA-N 2 0 249.358 1.900 20 0 BDADRP CC1([NH2+]CC2CC[NH2+]CC2)CCOCC1 ZINC000229894530 168063218 /nfs/dbraw/zinc/06/32/18/168063218.db2.gz JYRZQGCTOIVHDB-UHFFFAOYSA-N 2 0 212.337 1.145 20 0 BDADRP Cc1cnccc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000129720664 411377648 /nfs/dbraw/zinc/37/76/48/411377648.db2.gz CBUATVDLMMHOCK-OLZOCXBDSA-N 2 0 219.332 1.750 20 0 BDADRP CC(C)[C@@H](O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660662432 411376230 /nfs/dbraw/zinc/37/62/30/411376230.db2.gz KDQUBGKKSSUHEG-KBPBESRZSA-N 2 0 240.391 1.421 20 0 BDADRP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)C1CC1 ZINC000361344883 168182744 /nfs/dbraw/zinc/18/27/44/168182744.db2.gz FYMLSMYCFOQVRB-OCCSQVGLSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@H]1CCC[N@H+](CC2CCOCC2)[C@H]1CC[NH3+] ZINC000404299983 411390189 /nfs/dbraw/zinc/39/01/89/411390189.db2.gz PRSCZFWEAOYPPG-JSGCOSHPSA-N 2 0 240.391 1.862 20 0 BDADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1c[nH]cn1 ZINC000356822155 168302181 /nfs/dbraw/zinc/30/21/81/168302181.db2.gz LYLWNQQZAUVPEC-SECBINFHSA-N 2 0 238.335 1.193 20 0 BDADRP COCCOCC[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404384926 411392820 /nfs/dbraw/zinc/39/28/20/411392820.db2.gz NWOVVTMSFZSPSD-OLZOCXBDSA-N 2 0 244.379 1.099 20 0 BDADRP CC(C)O[C@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000404625108 411402426 /nfs/dbraw/zinc/40/24/26/411402426.db2.gz CDXAXNSWQYPPMP-STQMWFEESA-N 2 0 226.364 1.485 20 0 BDADRP CC(C)[NH2+]CCCNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000653048593 411404440 /nfs/dbraw/zinc/40/44/40/411404440.db2.gz KNPARFVCRFQJGJ-NWDGAFQWSA-N 2 0 241.379 1.008 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)C[C@H]2CC[NH2+]C2)cc1 ZINC000131098687 411411867 /nfs/dbraw/zinc/41/18/67/411411867.db2.gz IYAIONRHBOOSHJ-LLVKDONJSA-N 2 0 233.315 1.083 20 0 BDADRP CCC[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000653568603 411423268 /nfs/dbraw/zinc/42/32/68/411423268.db2.gz DVFSTWWPYWAKBO-KBPBESRZSA-N 2 0 242.407 1.811 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@@H]1O)C1CC[NH+](C)CC1 ZINC000129924693 411423811 /nfs/dbraw/zinc/42/38/11/411423811.db2.gz HJSBNGXIRNZNTA-DRZSPHRISA-N 2 0 226.364 1.220 20 0 BDADRP COC[C@H]([NH2+]C[C@H]1CC[N@@H+](C(C)C)C1)C1CC1 ZINC000126441892 411437913 /nfs/dbraw/zinc/43/79/13/411437913.db2.gz HIFFUVSOJAFGJE-OCCSQVGLSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@@H]1C[C@@H](C[N@H+](C)C2(CN)CCC2)CC[NH2+]1 ZINC000414789439 411445681 /nfs/dbraw/zinc/44/56/81/411445681.db2.gz OJOMCCAJGSYOFL-NEPJUHHUSA-N 2 0 225.380 1.188 20 0 BDADRP CC[C@H]1C[C@@H]([NH2+]CCC[NH+](C)C)CO1 ZINC000657287739 411446603 /nfs/dbraw/zinc/44/66/03/411446603.db2.gz ULFCVOJICMKKPX-MNOVXSKESA-N 2 0 200.326 1.095 20 0 BDADRP C[N@H+]1C[C@@H]2C[NH+](C[C@@H]3CC[C@H]4C[C@H]4C3)C[C@@H]2C1 ZINC000660437594 411502681 /nfs/dbraw/zinc/50/26/81/411502681.db2.gz PTTXNTNVKJPRFX-KHMAMNHCSA-N 2 0 234.387 1.916 20 0 BDADRP CC[C@H]1C[C@@H]([NH2+]C2CC([NH+](C)C)C2)CCO1 ZINC000655793047 411515929 /nfs/dbraw/zinc/51/59/29/411515929.db2.gz NJRJEUHXCPWEAT-WTIISPKJSA-N 2 0 226.364 1.626 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@]1(C)CCCO1 ZINC000655803796 411518558 /nfs/dbraw/zinc/51/85/58/411518558.db2.gz DOMGNGAYMYUEBM-MQYQWHSLSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccnn1C ZINC000655803914 411518745 /nfs/dbraw/zinc/51/87/45/411518745.db2.gz HYBLMPIWIQUNLW-UTUOFQBUSA-N 2 0 236.363 1.411 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]1CCCO1 ZINC000655805311 411519130 /nfs/dbraw/zinc/51/91/30/411519130.db2.gz LSWPMRZPZWIPSU-FVCCEPFGSA-N 2 0 226.364 1.484 20 0 BDADRP Cc1cc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)no1 ZINC000655804007 411519139 /nfs/dbraw/zinc/51/91/39/411519139.db2.gz LUQWTQGHVMCTJZ-SDDRHHMPSA-N 2 0 237.347 1.974 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)[C@H]1C ZINC000655804088 411519195 /nfs/dbraw/zinc/51/91/95/411519195.db2.gz OSJALCRLNYOYRK-RXGFPQBGSA-N 2 0 210.365 1.961 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CCO1 ZINC000655804133 411519645 /nfs/dbraw/zinc/51/96/45/411519645.db2.gz QWZIEPHGVOMDNN-YIYPIFLZSA-N 2 0 240.391 1.874 20 0 BDADRP CCN1CC[NH+](CCCC[NH2+]C(C)C)CC1 ZINC000037482910 169989393 /nfs/dbraw/zinc/98/93/93/169989393.db2.gz UFVYGBMRKWKMQE-UHFFFAOYSA-N 2 0 227.396 1.402 20 0 BDADRP Cc1ccc(O)c(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)n1 ZINC000655827262 411529740 /nfs/dbraw/zinc/52/97/40/411529740.db2.gz PGTFMJGSPNFPTI-TXEJJXNPSA-N 2 0 249.358 1.525 20 0 BDADRP Cc1c[nH]c(C[NH2+]CCCC[N@@H+](C)C2CC2)n1 ZINC000657488700 411531778 /nfs/dbraw/zinc/53/17/78/411531778.db2.gz VCMPXTQYDRTGAU-UHFFFAOYSA-N 2 0 236.363 1.682 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@]2(C)CCCO2)C1 ZINC000340189017 170016521 /nfs/dbraw/zinc/01/65/21/170016521.db2.gz SIGVGVBEZJMWOJ-MCIONIFRSA-N 2 0 240.391 1.875 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)CC2(C)COC2)[C@H](C)C1 ZINC000336714352 170017779 /nfs/dbraw/zinc/01/77/79/170017779.db2.gz TUEWRMYYWUDMMQ-OLZOCXBDSA-N 2 0 240.391 1.685 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC[C@H](C)O)C[C@H]1C ZINC000336721342 170019770 /nfs/dbraw/zinc/01/97/70/170019770.db2.gz SODCCDZGGYBWSU-RDBSUJKOSA-N 2 0 242.407 1.952 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)C(C)C)[C@H](C)C1 ZINC000336694028 170019808 /nfs/dbraw/zinc/01/98/08/170019808.db2.gz IFINDLJHJOKYPX-HZSPNIEDSA-N 2 0 242.407 1.665 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H](O)C(C)C)[C@H](C)C1 ZINC000305121219 170020965 /nfs/dbraw/zinc/02/09/65/170020965.db2.gz HEBDKSWVSAQXIV-HZSPNIEDSA-N 2 0 242.407 1.713 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](OC)C2CC2)[C@@H](C)C1 ZINC000340492601 170021100 /nfs/dbraw/zinc/02/11/00/170021100.db2.gz RJNOZLQZJHMGHT-UBHSHLNASA-N 2 0 240.391 1.731 20 0 BDADRP CC[NH2+]Cc1cccc(NC(=O)[C@H](C)[C@@H](C)[NH3+])c1 ZINC000191987269 170127908 /nfs/dbraw/zinc/12/79/08/170127908.db2.gz GPZRXLKQMOOWPX-GHMZBOCLSA-N 2 0 249.358 1.718 20 0 BDADRP CCOC1CC(CC[NH2+][C@@H]2CN(C)C[C@H]2C)C1 ZINC000353242470 170324085 /nfs/dbraw/zinc/32/40/85/170324085.db2.gz YSXVUQHNFDELRO-BLYZHGLHSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCC(C)(C)F ZINC000657645395 411569142 /nfs/dbraw/zinc/56/91/42/411569142.db2.gz UTWOTTQOEQZDAT-ZJUUUORDSA-N 2 0 202.317 1.664 20 0 BDADRP CCOCCC[NH2+][C@@H](C)CCCC[NH3+] ZINC000308472388 170381652 /nfs/dbraw/zinc/38/16/52/170381652.db2.gz CGYHWWMBVYNMSL-NSHDSACASA-N 2 0 202.342 1.520 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000660781014 411628734 /nfs/dbraw/zinc/62/87/34/411628734.db2.gz QQRBBCCPPSYAPZ-ZOBORPQBSA-N 2 0 240.391 1.466 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCOCCF)CN1C1CC1 ZINC000663339807 411629220 /nfs/dbraw/zinc/62/92/20/411629220.db2.gz CMZLZCRDHAESFV-GHMZBOCLSA-N 2 0 230.327 1.187 20 0 BDADRP CCCN1CC[C@@H]([NH2+]C[C@H](O)CCC(C)C)C1 ZINC000663366616 411637753 /nfs/dbraw/zinc/63/77/53/411637753.db2.gz XBQAVNDLZPXKCN-ZIAGYGMSSA-N 2 0 242.407 1.857 20 0 BDADRP CC1=C[C@@H](C)CN(C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000660460062 411588422 /nfs/dbraw/zinc/58/84/22/411588422.db2.gz QBZWAFBAPCCAON-TZMCWYRMSA-N 2 0 240.391 1.586 20 0 BDADRP C[NH+](C)CCC[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657817889 411605517 /nfs/dbraw/zinc/60/55/17/411605517.db2.gz QJVBWQJVZAKSCH-NSHDSACASA-N 2 0 212.337 1.239 20 0 BDADRP C[NH+](C)CCC[NH2+][C@H]1CCCSCC1 ZINC000657817224 411606215 /nfs/dbraw/zinc/60/62/15/411606215.db2.gz NDGABLJNLKWJNZ-NSHDSACASA-N 2 0 216.394 1.813 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCOCCF)CC[N@@H+]1C ZINC000663460674 411662238 /nfs/dbraw/zinc/66/22/38/411662238.db2.gz CMFSLRZFOUERLC-WDEREUQCSA-N 2 0 218.316 1.045 20 0 BDADRP C(N1CC[NH2+]CC12CCCCC2)[C@]12C[C@H]1C[NH2+]C2 ZINC000663493727 411673617 /nfs/dbraw/zinc/67/36/17/411673617.db2.gz DOJZIXYZBXCTPH-UONOGXRCSA-N 2 0 249.402 1.204 20 0 BDADRP C([NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)[C@]12C[C@H]1C[NH2+]C2 ZINC000663495924 411676817 /nfs/dbraw/zinc/67/68/17/411676817.db2.gz QXTIPRGTFNNXFG-SOUVJXGZSA-N 3 0 249.402 1.060 20 0 BDADRP C[C@H]1CCC[C@H]([NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC000663497321 411679635 /nfs/dbraw/zinc/67/96/35/411679635.db2.gz DQZCBHCEGQCUHQ-QCXCNERSSA-N 2 0 208.349 1.907 20 0 BDADRP C([NH2+][C@@H]1CCCSC1)C12CC(C1)C[NH2+]2 ZINC000663499671 411682848 /nfs/dbraw/zinc/68/28/48/411682848.db2.gz ZXAHKSJNLHWCPP-HSOILSAZSA-N 2 0 212.362 1.224 20 0 BDADRP C(N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C12CC(C1)C[NH2+]2 ZINC000663499941 411683259 /nfs/dbraw/zinc/68/32/59/411683259.db2.gz GWRZOOIYKLPQOM-PEGGXJLSSA-N 2 0 249.402 1.249 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCO[C@H]1C ZINC000663500710 411684166 /nfs/dbraw/zinc/68/41/66/411684166.db2.gz UCEKKVMLPWJALY-HBNTYKKESA-N 2 0 200.326 1.127 20 0 BDADRP CC(C)[C@H]([NH3+])CCNCC[NH2+]C(C)(C)C ZINC000663502127 411686359 /nfs/dbraw/zinc/68/63/59/411686359.db2.gz GCKZERWVIQBIII-LLVKDONJSA-N 2 0 215.385 1.338 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCc3nccnc3C2)CC[NH2+]1 ZINC000663503588 411687960 /nfs/dbraw/zinc/68/79/60/411687960.db2.gz PYKLKTWGYGOMMU-NEPJUHHUSA-N 2 0 246.358 1.223 20 0 BDADRP C[C@H]1C[C@H](C[N@@H+]2CCc3nccnc3C2)CC[NH2+]1 ZINC000663503589 411688290 /nfs/dbraw/zinc/68/82/90/411688290.db2.gz PYKLKTWGYGOMMU-NWDGAFQWSA-N 2 0 246.358 1.223 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000663504288 411688509 /nfs/dbraw/zinc/68/85/09/411688509.db2.gz YGJFAZCOVSGEMV-YNEHKIRRSA-N 3 0 227.396 1.338 20 0 BDADRP C[N@H+](C[C@@H]1CC1(C)C)C[C@@]1(C)CC[NH2+]C1 ZINC000663514754 411695416 /nfs/dbraw/zinc/69/54/16/411695416.db2.gz SQPKJWOSAXWRDC-AAEUAGOBSA-N 2 0 210.365 1.964 20 0 BDADRP CCSCCC[NH2+][C@@H](C)CCC[NH3+] ZINC000308140733 170628772 /nfs/dbraw/zinc/62/87/72/170628772.db2.gz SQGDIQQEOAZWSL-JTQLQIEISA-N 2 0 204.383 1.847 20 0 BDADRP CCc1cc(N(C)CC2C[NH+](C)C2)cc[nH+]1 ZINC000664331203 411922938 /nfs/dbraw/zinc/92/29/38/411922938.db2.gz WEOHQVJROLCBIJ-UHFFFAOYSA-N 2 0 219.332 1.642 20 0 BDADRP Cc1cc(CN(C2CC2)C2CC[NH2+]CC2)ncn1 ZINC000662235320 412034290 /nfs/dbraw/zinc/03/42/90/412034290.db2.gz PXJDHTKYSMIOCO-UHFFFAOYSA-N 2 0 246.358 1.501 20 0 BDADRP CO[C@@H](C[N@H+](C)C1CC[NH2+]CC1)C1CCCC1 ZINC000662238727 412034659 /nfs/dbraw/zinc/03/46/59/412034659.db2.gz UWVNAWSPRPSQPY-AWEZNQCLSA-N 2 0 240.391 1.875 20 0 BDADRP C[N@H+](C[C@@H]1C[C@H]2C[C@H]2C1)CC(C)(C)C[NH3+] ZINC000662248168 412046736 /nfs/dbraw/zinc/04/67/36/412046736.db2.gz VPTLZECRKDZPNI-ZSBIGDGJSA-N 2 0 210.365 1.949 20 0 BDADRP C[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CCCC1 ZINC000662249318 412047511 /nfs/dbraw/zinc/04/75/11/412047511.db2.gz SWPFFRJMVQDKKS-LBPRGKRZSA-N 2 0 224.348 1.382 20 0 BDADRP CC(C)[C@@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250768 412048943 /nfs/dbraw/zinc/04/89/43/412048943.db2.gz NOXIQUQKTABHQS-OLZOCXBDSA-N 2 0 238.375 1.628 20 0 BDADRP CC[C@@H](C)[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662253472 412050266 /nfs/dbraw/zinc/05/02/66/412050266.db2.gz WGZCHNKODHACDB-GHMZBOCLSA-N 2 0 212.337 1.238 20 0 BDADRP C[C@H]([N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1)C1(C)CC1 ZINC000662257721 412051286 /nfs/dbraw/zinc/05/12/86/412051286.db2.gz FWKDFMYYRYMZRF-NWDGAFQWSA-N 2 0 238.375 1.628 20 0 BDADRP CC[C@@H](C)C[N@H+](CC)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662258859 412054204 /nfs/dbraw/zinc/05/42/04/412054204.db2.gz MWMPVPJOELXIFE-OLZOCXBDSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@@H]1CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662259033 412054454 /nfs/dbraw/zinc/05/44/54/412054454.db2.gz OMYURUKUEAANPA-VXGBXAGGSA-N 2 0 224.348 1.239 20 0 BDADRP CC[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000351627234 171001644 /nfs/dbraw/zinc/00/16/44/171001644.db2.gz ILBCAILBEFRASK-KWCYVHTRSA-N 2 0 240.391 1.610 20 0 BDADRP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000309573694 171044340 /nfs/dbraw/zinc/04/43/40/171044340.db2.gz OHGNJFVFAKCXCU-AGIUHOORSA-N 2 0 226.364 1.221 20 0 BDADRP CC[C@@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)C[C@@H]1O ZINC000341009156 171083370 /nfs/dbraw/zinc/08/33/70/171083370.db2.gz LMEPQFPIKUKNOE-RDBSUJKOSA-N 2 0 240.391 1.564 20 0 BDADRP CC[C@@H]1C[N@H+](CC[C@H]2CCC[NH+]2C)CCCO1 ZINC000336719045 171084569 /nfs/dbraw/zinc/08/45/69/171084569.db2.gz RWGOOEUFLKGKFV-ZIAGYGMSSA-N 2 0 240.391 1.972 20 0 BDADRP CC[C@@H]1CO[C@@H](C)C[N@@H+]1CCC1CC[NH2+]CC1 ZINC000020593533 171111020 /nfs/dbraw/zinc/11/10/20/171111020.db2.gz OKGDFSXFMIYGJM-GXTWGEPZSA-N 2 0 240.391 1.875 20 0 BDADRP C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000662273463 412065657 /nfs/dbraw/zinc/06/56/57/412065657.db2.gz MWWFTNPVGCZTDV-JLQSVIJNSA-N 2 0 234.387 1.964 20 0 BDADRP CCc1nocc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000662273141 412066015 /nfs/dbraw/zinc/06/60/15/412066015.db2.gz UEDUJLGICYXUNC-NSHDSACASA-N 2 0 237.347 1.798 20 0 BDADRP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662280444 412070939 /nfs/dbraw/zinc/07/09/39/412070939.db2.gz DNPZAIXKCHWEHI-TUAOUCFPSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@@H]1CCCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662279005 412071027 /nfs/dbraw/zinc/07/10/27/412071027.db2.gz DYEJXHZEOFTFDQ-CHWSQXEVSA-N 2 0 238.375 1.629 20 0 BDADRP [NH3+]CCC1CC[NH+](CCO[C@@H]2CC2(F)F)CC1 ZINC000662285170 412077112 /nfs/dbraw/zinc/07/71/12/412077112.db2.gz YNFCHBNDSQVHCK-LLVKDONJSA-N 2 0 248.317 1.471 20 0 BDADRP CC[C@H](C(=O)NC[C@@H](C)[NH+](CC)CC)[NH+](C)C ZINC000126395601 171229857 /nfs/dbraw/zinc/22/98/57/171229857.db2.gz PPPCXGGHYXPDPF-VXGBXAGGSA-N 2 0 243.395 1.173 20 0 BDADRP CCOCC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298002 412083680 /nfs/dbraw/zinc/08/36/80/412083680.db2.gz SXWLGFVRXISMQV-AWEZNQCLSA-N 2 0 240.391 1.735 20 0 BDADRP COCC1([N@H+](C)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000662298549 412085364 /nfs/dbraw/zinc/08/53/64/412085364.db2.gz NIMILBZTBPNCKI-LBPRGKRZSA-N 2 0 226.364 1.487 20 0 BDADRP CC[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000358313390 171339115 /nfs/dbraw/zinc/33/91/15/171339115.db2.gz DBZLQZLESKZTIH-YUTCNCBUSA-N 2 0 240.391 1.752 20 0 BDADRP CC[C@H](C)[NH2+]CCOCC[NH+](CC)CC ZINC000336742358 171340640 /nfs/dbraw/zinc/34/06/40/171340640.db2.gz WXDMCZJDKYZOHV-LBPRGKRZSA-N 2 0 216.369 1.733 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCCC[C@H]1[C@H](C)CO ZINC000662302125 412089666 /nfs/dbraw/zinc/08/96/66/412089666.db2.gz XDLLNMGCYXPBHG-NEPJUHHUSA-N 2 0 214.353 1.079 20 0 BDADRP C[C@@H]([NH3+])CN1c2ccccc2CC[C@H]1C[NH3+] ZINC000662305110 412091673 /nfs/dbraw/zinc/09/16/73/412091673.db2.gz OFFLWUODQYGBAN-PWSUYJOCSA-N 2 0 219.332 1.114 20 0 BDADRP C[C@H]([NH3+])CN1c2ccccc2CC[C@H]1C[NH3+] ZINC000662305109 412092001 /nfs/dbraw/zinc/09/20/01/412092001.db2.gz OFFLWUODQYGBAN-JQWIXIFHSA-N 2 0 219.332 1.114 20 0 BDADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(CC[NH3+])C1 ZINC000662307693 412092586 /nfs/dbraw/zinc/09/25/86/412092586.db2.gz YAXHGBJJPHOYTH-OAHLLOKOSA-N 2 0 247.386 1.194 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000662313403 412094839 /nfs/dbraw/zinc/09/48/39/412094839.db2.gz KYTCOFARVUOJJC-HZSPNIEDSA-N 2 0 240.391 1.875 20 0 BDADRP C(C[N@@H+]1CC[C@H]2COC[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000662315465 412095439 /nfs/dbraw/zinc/09/54/39/412095439.db2.gz FWXCUEQFXBBZPY-MELADBBJSA-N 2 0 238.375 1.344 20 0 BDADRP C(C[N@@H+]1CC[C@@H]2COC[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000662315459 412096262 /nfs/dbraw/zinc/09/62/62/412096262.db2.gz FWXCUEQFXBBZPY-BFHYXJOUSA-N 2 0 238.375 1.344 20 0 BDADRP CN(c1ccccc1)[C@H]1CC[N@H+](CCC[NH3+])C1 ZINC000662314661 412096570 /nfs/dbraw/zinc/09/65/70/412096570.db2.gz AJGZYUPCZQGDDW-AWEZNQCLSA-N 2 0 233.359 1.546 20 0 BDADRP C[NH+](C)CCC[C@H]1C[N@H+](CC2CC2)CCO1 ZINC000662318956 412098436 /nfs/dbraw/zinc/09/84/36/412098436.db2.gz CBANCARXSQFTMZ-ZDUSSCGKSA-N 2 0 226.364 1.439 20 0 BDADRP CC[C@H](COCC1CC1)[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000665236171 412177203 /nfs/dbraw/zinc/17/72/03/412177203.db2.gz ISFBPQQGPRLXOK-NTZNESFSSA-N 2 0 228.380 1.907 20 0 BDADRP CC[C@@H](C)CC[NH2+][C@H](CCC[NH3+])COC ZINC000665238107 412177993 /nfs/dbraw/zinc/17/79/93/412177993.db2.gz QRRBYYKQUYMUGB-VXGBXAGGSA-N 2 0 216.369 1.766 20 0 BDADRP C[C@H]([NH2+]CC1([NH3+])CCCC1)[C@H]1CCCOC1 ZINC000665247716 412178566 /nfs/dbraw/zinc/17/85/66/412178566.db2.gz IRSODMCOVWUMKT-RYUDHWBXSA-N 2 0 226.364 1.663 20 0 BDADRP Cc1ccncc1CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000665238997 412180302 /nfs/dbraw/zinc/18/03/02/412180302.db2.gz JWVOIECIKRKHQL-UONOGXRCSA-N 2 0 233.359 1.792 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1NCC1([NH3+])CCCC1 ZINC000665247075 412190584 /nfs/dbraw/zinc/19/05/84/412190584.db2.gz VHFIOSZSSBYSFE-RYUDHWBXSA-N 2 0 225.380 1.365 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1NCC1([NH3+])CCCC1 ZINC000665247074 412191541 /nfs/dbraw/zinc/19/15/41/412191541.db2.gz VHFIOSZSSBYSFE-NWDGAFQWSA-N 2 0 225.380 1.365 20 0 BDADRP CC[C@H]([NH2+]C)C(=O)Nc1ccc2[nH]c(C)nc2c1 ZINC000662493185 412194191 /nfs/dbraw/zinc/19/41/91/412194191.db2.gz ZEOKHJPWNGQRPB-JTQLQIEISA-N 2 0 246.314 1.808 20 0 BDADRP [NH3+]C1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCCC1 ZINC000665248554 412195710 /nfs/dbraw/zinc/19/57/10/412195710.db2.gz ZDKHAGIQYFHNSX-OLZOCXBDSA-N 2 0 237.391 1.474 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CCc1ccoc1 ZINC000665261381 412204335 /nfs/dbraw/zinc/20/43/35/412204335.db2.gz ASVXWCXCTPBJKY-NSHDSACASA-N 2 0 210.321 1.929 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@]1(C)CC1(F)F ZINC000665267569 412204706 /nfs/dbraw/zinc/20/47/06/412204706.db2.gz YSNYILBINLNILL-CIUDSAMLSA-N 2 0 206.280 1.747 20 0 BDADRP c1cc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)co1 ZINC000665262892 412206346 /nfs/dbraw/zinc/20/63/46/412206346.db2.gz BFHNADMVZJHMBX-HZSPNIEDSA-N 2 0 234.343 1.800 20 0 BDADRP Cn1ncc(C2CC2)c1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000665264963 412207446 /nfs/dbraw/zinc/20/74/46/412207446.db2.gz MYNQMNIMBVLDMP-DGCLKSJQSA-N 2 0 248.374 1.515 20 0 BDADRP C[C@H]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)O1 ZINC000665265060 412208443 /nfs/dbraw/zinc/20/84/43/412208443.db2.gz OMRKNQAYRKSCJI-BEUHCMRWSA-N 2 0 238.375 1.817 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CCC[C@H](C)O1 ZINC000665265117 412208944 /nfs/dbraw/zinc/20/89/44/412208944.db2.gz PRCQIFYBYSHCPM-FIQHERPVSA-N 2 0 214.353 1.659 20 0 BDADRP Cc1cncc(CC[NH2+][C@@H](C)C[C@@H](C)[NH3+])n1 ZINC000665273781 412213685 /nfs/dbraw/zinc/21/36/85/412213685.db2.gz DFUSNABRKRTYTE-ZJUUUORDSA-N 2 0 222.336 1.043 20 0 BDADRP [NH3+]C1(CC(=O)Nc2cccc3c2CC[NH2+]C3)CC1 ZINC000662415589 412156670 /nfs/dbraw/zinc/15/66/70/412156670.db2.gz HVGLXNOEAYDUDC-UHFFFAOYSA-N 2 0 245.326 1.152 20 0 BDADRP CC(C)([NH3+])CNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662424460 412164280 /nfs/dbraw/zinc/16/42/80/412164280.db2.gz TZNBYMUHVFYCQC-LBPRGKRZSA-N 2 0 247.342 1.075 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccc(N)c1 ZINC000665232368 412165868 /nfs/dbraw/zinc/16/58/68/412165868.db2.gz LTEGMTVIKICFIJ-SMDDNHRTSA-N 2 0 233.359 1.747 20 0 BDADRP COC1CC(CC[NH2+][C@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000665230102 412167147 /nfs/dbraw/zinc/16/71/47/412167147.db2.gz JOMURBHTJVTBIL-IKWCTNDRSA-N 2 0 226.364 1.532 20 0 BDADRP Nc1cccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000665232597 412170869 /nfs/dbraw/zinc/17/08/69/412170869.db2.gz PXPHDNYFWUBIBN-DGCLKSJQSA-N 2 0 219.332 1.486 20 0 BDADRP C[C@H](N[C@@H]1CC[N@@H+](C(C)(C)C)C1)[C@@H]1CCC[NH2+]1 ZINC000665235868 412174582 /nfs/dbraw/zinc/17/45/82/412174582.db2.gz BHNAJXZDMXYBRG-XQQFMLRXSA-N 2 0 239.407 1.589 20 0 BDADRP C[C@@H](N[C@H]1CC[N@@H+](C(C)(C)C)C1)[C@H]1CCC[NH2+]1 ZINC000665235864 412174824 /nfs/dbraw/zinc/17/48/24/412174824.db2.gz BHNAJXZDMXYBRG-FRRDWIJNSA-N 2 0 239.407 1.589 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1cnn(C)c1 ZINC000665280519 412224389 /nfs/dbraw/zinc/22/43/89/412224389.db2.gz FCOBDDJLLHFPMR-ZYHUDNBSSA-N 2 0 224.352 1.444 20 0 BDADRP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)[C@H]1CC1(C)C ZINC000665279923 412224404 /nfs/dbraw/zinc/22/44/04/412224404.db2.gz PKVFFKIQCAIJKH-MSLYCWSTSA-N 2 0 208.349 1.763 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000665280882 412226039 /nfs/dbraw/zinc/22/60/39/412226039.db2.gz OAGJLXHBQIGJQP-HZSPNIEDSA-N 2 0 239.407 1.576 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1C[C@@H](C)O[C@H]1C ZINC000665282408 412227596 /nfs/dbraw/zinc/22/75/96/412227596.db2.gz XPEONEGTZDPBAC-KXNHARMFSA-N 2 0 214.353 1.515 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000665282117 412228002 /nfs/dbraw/zinc/22/80/02/412228002.db2.gz RDHABNBVOWSWQN-MNOVXSKESA-N 2 0 241.379 1.007 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCCc1ccco1 ZINC000665284021 412228563 /nfs/dbraw/zinc/22/85/63/412228563.db2.gz YVYXYQUUURVWCJ-VXGBXAGGSA-N 2 0 208.305 1.682 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCCc1ccco1 ZINC000665283765 412228757 /nfs/dbraw/zinc/22/87/57/412228757.db2.gz UNKVBYCOXUTSLZ-QWRGUYRKSA-N 2 0 210.321 1.928 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1nccn1C ZINC000665283919 412229771 /nfs/dbraw/zinc/22/97/71/412229771.db2.gz XCMAIUNVCYVRFV-WDEREUQCSA-N 2 0 224.352 1.588 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCOCCF ZINC000665298995 412247886 /nfs/dbraw/zinc/24/78/86/412247886.db2.gz DQCGHZDQONEKSB-GHMZBOCLSA-N 2 0 218.316 1.080 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCOCCF ZINC000665298996 412247977 /nfs/dbraw/zinc/24/79/77/412247977.db2.gz DQCGHZDQONEKSB-MNOVXSKESA-N 2 0 218.316 1.080 20 0 BDADRP C[NH2+]C[C@H](C)N[C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000665298858 412248521 /nfs/dbraw/zinc/24/85/21/412248521.db2.gz AZQNPOSRGJMPMJ-OBJOEFQTSA-N 2 0 235.375 1.142 20 0 BDADRP CC(C)[C@H](C(=O)NCC[C@@H](C)[NH+](C)C)[C@@H](C)[NH3+] ZINC000662636626 412252408 /nfs/dbraw/zinc/25/24/08/412252408.db2.gz ZYXPAXYLYFSZEA-UTUOFQBUSA-N 2 0 243.395 1.062 20 0 BDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CC(C)(C)[NH3+] ZINC000662845498 412319984 /nfs/dbraw/zinc/31/99/84/412319984.db2.gz SXOQHBKYERBFNM-GHMZBOCLSA-N 2 0 241.379 1.055 20 0 BDADRP CC[C@@]1(C(=O)NCC[C@@H]([NH3+])C(C)C)CCC[NH2+]1 ZINC000662927427 412347756 /nfs/dbraw/zinc/34/77/56/412347756.db2.gz ZICPMXHNZFTSSK-YPMHNXCESA-N 2 0 241.379 1.008 20 0 BDADRP CCn1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cn1 ZINC000250332518 172166930 /nfs/dbraw/zinc/16/69/30/172166930.db2.gz GDPNKRQUGJPDFD-GHMZBOCLSA-N 2 0 222.336 1.072 20 0 BDADRP CCn1nccc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000119084642 172269549 /nfs/dbraw/zinc/26/95/49/172269549.db2.gz UGPJGRFGJZXHTD-UHFFFAOYSA-N 2 0 236.363 1.334 20 0 BDADRP C[NH+](C)C(C)(C)CNC1CC[NH+](C2CC2)CC1 ZINC000310202677 172395424 /nfs/dbraw/zinc/39/54/24/172395424.db2.gz CEKGGNNVWSXWPA-UHFFFAOYSA-N 2 0 239.407 1.543 20 0 BDADRP C[NH+](C)CC1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000042388485 172425417 /nfs/dbraw/zinc/42/54/17/172425417.db2.gz FEDXJXNWQRLRSL-CYBMUJFWSA-N 2 0 225.380 1.012 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CCN1CCO[C@H](C2CC2)C1 ZINC000362562456 173027964 /nfs/dbraw/zinc/02/79/64/173027964.db2.gz SYXWNCJVNFZQPH-KGLIPLIRSA-N 2 0 238.375 1.582 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH2+]C(C)(C)C(C)(C)O ZINC000336754718 173028405 /nfs/dbraw/zinc/02/84/05/173028405.db2.gz FXONTJXWFFXXQN-LLVKDONJSA-N 2 0 228.380 1.610 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1CCO ZINC000336680734 173028655 /nfs/dbraw/zinc/02/86/55/173028655.db2.gz XQQZGXYBGQFKEC-CHWSQXEVSA-N 2 0 226.364 1.318 20 0 BDADRP C[N@H+](CCn1ccnc1)C[C@H]1CCC[NH+](C)C1 ZINC000336686088 173041619 /nfs/dbraw/zinc/04/16/19/173041619.db2.gz FUYGIIGYEJRWOE-ZDUSSCGKSA-N 2 0 236.363 1.157 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@](O)(C2CC2)C1 ZINC000370085599 173054659 /nfs/dbraw/zinc/05/46/59/173054659.db2.gz WJSCDZYDKCGXHS-KBPBESRZSA-N 2 0 238.375 1.318 20 0 BDADRP C[N@@H+]1CCN(C(=O)CCCCC[NH3+])CC1(C)C ZINC000104143096 173067506 /nfs/dbraw/zinc/06/75/06/173067506.db2.gz YULXHRRYHIZGCF-UHFFFAOYSA-N 2 0 241.379 1.058 20 0 BDADRP C[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCSC2)C1 ZINC000061588224 173116988 /nfs/dbraw/zinc/11/69/88/173116988.db2.gz NOFHWFNVOUCDJN-WDEREUQCSA-N 2 0 214.378 1.423 20 0 BDADRP C[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCSC2)C1 ZINC000037484628 173118014 /nfs/dbraw/zinc/11/80/14/173118014.db2.gz CVVQDPHRRJZZGI-VHSXEESVSA-N 2 0 200.351 1.033 20 0 BDADRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccn2)C1 ZINC000334153030 173136302 /nfs/dbraw/zinc/13/63/02/173136302.db2.gz NHJUILMIEKSZHM-UKRRQHHQSA-N 2 0 245.370 1.998 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)O)[C@@H]2CCC[C@@H]21 ZINC000309485090 173151822 /nfs/dbraw/zinc/15/18/22/173151822.db2.gz VDIYMHOJTQHRFZ-SRVKXCTJSA-N 2 0 226.364 1.220 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CCn2cccn2)[C@H]2CCC[C@H]21 ZINC000353391231 173152284 /nfs/dbraw/zinc/15/22/84/173152284.db2.gz BILIBESGWFOOQJ-HZSPNIEDSA-N 2 0 248.374 1.346 20 0 BDADRP C[NH2+]C1CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC000223641063 173322791 /nfs/dbraw/zinc/32/27/91/173322791.db2.gz SJRXBTFIDSKYPF-CYBMUJFWSA-N 2 0 226.364 1.629 20 0 BDADRP C[NH2+]CC1CC[NH+](CCc2cccnc2)CC1 ZINC000063223679 173338721 /nfs/dbraw/zinc/33/87/21/173338721.db2.gz CJOBEMGBABAWEZ-UHFFFAOYSA-N 2 0 233.359 1.556 20 0 BDADRP C[NH2+]C[C@@H]1CCCN1CCc1scnc1C ZINC000133282332 173369039 /nfs/dbraw/zinc/36/90/39/173369039.db2.gz CDTLKKVMPPSINJ-NSHDSACASA-N 2 0 239.388 1.678 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@H+](CC2CCOCC2)C1 ZINC000052174676 173378931 /nfs/dbraw/zinc/37/89/31/173378931.db2.gz XVDKDJBJRTZAHH-CYBMUJFWSA-N 2 0 226.364 1.344 20 0 BDADRP C[NH2+]C[C@H]1CCCN1CCCCCF ZINC000308494436 173379975 /nfs/dbraw/zinc/37/99/75/173379975.db2.gz SHMJGRPGLCDORG-LLVKDONJSA-N 2 0 202.317 1.810 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)[C@]2(C)CC[NH2+]C2)c1 ZINC000296319255 173389945 /nfs/dbraw/zinc/38/99/45/173389945.db2.gz HANSMHSDQSFRKI-CQSZACIVSA-N 2 0 247.342 1.344 20 0 BDADRP COC1CC([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000300214961 174018918 /nfs/dbraw/zinc/01/89/18/174018918.db2.gz ALDXNUPTUNRCHO-IGJPJIBNSA-N 2 0 224.348 1.380 20 0 BDADRP COC1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000342214065 174028428 /nfs/dbraw/zinc/02/84/28/174028428.db2.gz YGDGSBOZDFBYAD-CYBMUJFWSA-N 2 0 240.391 1.972 20 0 BDADRP COCC(C)(C)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000336717163 174073984 /nfs/dbraw/zinc/07/39/84/174073984.db2.gz XVQNCMKTSZVCIR-NSHDSACASA-N 2 0 216.369 1.766 20 0 BDADRP COCC1(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CCC1 ZINC000310391127 174105217 /nfs/dbraw/zinc/10/52/17/174105217.db2.gz IYCNATFZWQDWAV-CHWSQXEVSA-N 2 0 240.391 1.875 20 0 BDADRP COCCCCC[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000336745064 174180479 /nfs/dbraw/zinc/18/04/79/174180479.db2.gz QMJXUTWMQSSCLL-VXGBXAGGSA-N 2 0 214.353 1.472 20 0 BDADRP COCCCCC[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000309060762 174184681 /nfs/dbraw/zinc/18/46/81/174184681.db2.gz WLFJJWMDDXSDNJ-VXGBXAGGSA-N 2 0 214.353 1.343 20 0 BDADRP COCCCC[NH+]1CCC([NH+](C)C)CC1 ZINC000118000471 174190121 /nfs/dbraw/zinc/19/01/21/174190121.db2.gz ODGXDSFAUVQYDV-UHFFFAOYSA-N 2 0 214.353 1.439 20 0 BDADRP COCCCC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000336676039 174190159 /nfs/dbraw/zinc/19/01/59/174190159.db2.gz VLXBVZYMNVQECJ-UHFFFAOYSA-N 2 0 226.364 1.489 20 0 BDADRP COCCCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339435485 174193586 /nfs/dbraw/zinc/19/35/86/174193586.db2.gz CAKHANBUEAQPCW-AWEZNQCLSA-N 2 0 240.391 1.831 20 0 BDADRP COCCC[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000120411513 174215459 /nfs/dbraw/zinc/21/54/59/174215459.db2.gz LKKOHVOQPRFJOJ-LBPRGKRZSA-N 2 0 214.353 1.439 20 0 BDADRP COCCC[N@@H+]1CC[C@H]2CCN(C)C[C@@H]21 ZINC000361109557 174233516 /nfs/dbraw/zinc/23/35/16/174233516.db2.gz TZBJWMQAPYHAAA-NEPJUHHUSA-N 2 0 212.337 1.049 20 0 BDADRP COCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000034958916 174246965 /nfs/dbraw/zinc/24/69/65/174246965.db2.gz WAGHFDYVIMTTEP-YOGCLGLASA-N 2 0 212.337 1.238 20 0 BDADRP COCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375762327 174275013 /nfs/dbraw/zinc/27/50/13/174275013.db2.gz YAAGOCDSPHIPAC-FOSCPWQOSA-N 2 0 212.337 1.190 20 0 BDADRP COCC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000336662787 174312482 /nfs/dbraw/zinc/31/24/82/174312482.db2.gz CSDVFLMLYGWPNQ-ZDUSSCGKSA-N 2 0 226.364 1.297 20 0 BDADRP COCC[C@@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000336757569 174381967 /nfs/dbraw/zinc/38/19/67/174381967.db2.gz HVZBCXBMOWGECP-PNESKVBLSA-N 2 0 228.380 1.874 20 0 BDADRP COc1ccc([C@@H](C)[NH2+]CCC[NH3+])cc1F ZINC000037713427 175177156 /nfs/dbraw/zinc/17/71/56/175177156.db2.gz MKKAJWUALNTKGK-SECBINFHSA-N 2 0 226.295 1.834 20 0 BDADRP COc1ccc([C@H](C)[NH2+]CCC[NH3+])cc1F ZINC000037713426 175188362 /nfs/dbraw/zinc/18/83/62/175188362.db2.gz MKKAJWUALNTKGK-VIFPVBQESA-N 2 0 226.295 1.834 20 0 BDADRP COc1ccccc1[C@@H](C)[NH2+]CCC[NH3+] ZINC000037713178 175345033 /nfs/dbraw/zinc/34/50/33/175345033.db2.gz ZBFKOSPIFIQGMO-SNVBAGLBSA-N 2 0 208.305 1.695 20 0 BDADRP CCC[NH2+]CCNC1CC[NH+](CC2CC2)CC1 ZINC000556932232 322931444 /nfs/dbraw/zinc/93/14/44/322931444.db2.gz IQHJKKYVEMIYAH-UHFFFAOYSA-N 2 0 239.407 1.450 20 0 BDADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC[C@H]1CCCO1)C2 ZINC000383505849 487631030 /nfs/dbraw/zinc/63/10/30/487631030.db2.gz FXPWIPXIXAXWSH-MJBXVCDLSA-N 2 0 238.375 1.616 20 0 BDADRP C[C@H](CCn1cccn1)[NH2+][C@@H](C)CC[NH+](C)C ZINC000353533243 175671812 /nfs/dbraw/zinc/67/18/12/175671812.db2.gz CHVGRPRVNXEYNH-QWHCGFSZSA-N 2 0 238.379 1.592 20 0 BDADRP C[C@@H]1CCC[C@H]([NH2+]C[C@H](O)CN(C)C)[C@@H]1C ZINC000037881929 176144093 /nfs/dbraw/zinc/14/40/93/176144093.db2.gz QSBZWMVNZONPPW-NDBYEHHHSA-N 2 0 228.380 1.323 20 0 BDADRP C[C@@H]1CCC[C@](CN[C@@H]2CC[NH2+]C2)([NH+](C)C)C1 ZINC000094088122 176151989 /nfs/dbraw/zinc/15/19/89/176151989.db2.gz XBXNEEQNHSHKOY-MCIONIFRSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)O1 ZINC000128562597 176227348 /nfs/dbraw/zinc/22/73/48/176227348.db2.gz KGRROGCMFNPWFZ-AAVRWANBSA-N 2 0 238.375 1.770 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC000356911290 176268439 /nfs/dbraw/zinc/26/84/39/176268439.db2.gz IRILDYYTWSEIKM-RDBSUJKOSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCOC1CCCC1 ZINC000358084158 176270564 /nfs/dbraw/zinc/27/05/64/176270564.db2.gz LTEZZFDOOOEACO-TZMCWYRMSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000309657761 176340661 /nfs/dbraw/zinc/34/06/61/176340661.db2.gz AHOMNORDUJCSIM-YPMHNXCESA-N 2 0 224.348 1.263 20 0 BDADRP C[C@@H]1COCC[C@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000310065655 176344407 /nfs/dbraw/zinc/34/44/07/176344407.db2.gz PZUPDSJDVNWBGS-CHWSQXEVSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1CSC[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000336687403 176352625 /nfs/dbraw/zinc/35/26/25/176352625.db2.gz MTOHBQZGKCIVLV-MNOVXSKESA-N 2 0 216.394 1.669 20 0 BDADRP C[C@@H]1CSC[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000335587795 176352635 /nfs/dbraw/zinc/35/26/35/176352635.db2.gz YAXHCJKRCBKYCH-PWSUYJOCSA-N 2 0 228.405 1.669 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccc2c[nH]nc21 ZINC000334143247 176368073 /nfs/dbraw/zinc/36/80/73/176368073.db2.gz RAPFSMSVVRMCSR-MNOVXSKESA-N 2 0 244.342 1.732 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCOCC2(C)C)CC[NH2+]1 ZINC000235381711 176369285 /nfs/dbraw/zinc/36/92/85/176369285.db2.gz ANNDEBCMAWPCFP-NEPJUHHUSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCOCC[NH+](C)C)[C@@H]1C ZINC000336694842 176374961 /nfs/dbraw/zinc/37/49/61/176374961.db2.gz NPHZPYOTZJYICL-IJLUTSLNSA-N 2 0 214.353 1.199 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)C2CC2)CC[N@@H+]1C ZINC000336741619 176376528 /nfs/dbraw/zinc/37/65/28/176376528.db2.gz NHHLJFKHTXMYPP-RTXFEEFZSA-N 2 0 226.364 1.077 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCSC1 ZINC000336642984 176618322 /nfs/dbraw/zinc/61/83/22/176618322.db2.gz DSQADEUGLWSJCQ-NXEZZACHSA-N 2 0 202.367 1.599 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cccc(C(N)=O)c1 ZINC000336788027 176618439 /nfs/dbraw/zinc/61/84/39/176618439.db2.gz GGVAGXXYSHLBRG-LLVKDONJSA-N 2 0 249.358 1.393 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000336697886 176619850 /nfs/dbraw/zinc/61/98/50/176619850.db2.gz OLFKXRNXOJTZMJ-GRYCIOLGSA-N 2 0 214.353 1.255 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CCc1ccc(O)cc1 ZINC000336649819 176620373 /nfs/dbraw/zinc/62/03/73/176620373.db2.gz HBMIAQISBKBQDE-LLVKDONJSA-N 2 0 222.332 1.652 20 0 BDADRP C[C@H](c1cccnc1)[NH+]1CCC(C[NH3+])CC1 ZINC000044511634 177044499 /nfs/dbraw/zinc/04/44/99/177044499.db2.gz JWWCISZNVFKSOW-LLVKDONJSA-N 2 0 219.332 1.813 20 0 BDADRP C[C@H](c1cccnc1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000035692147 177045994 /nfs/dbraw/zinc/04/59/94/177045994.db2.gz WRWVQBTZIYZCHS-GHMZBOCLSA-N 2 0 205.305 1.423 20 0 BDADRP C[C@H](c1ccncc1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527595 177051773 /nfs/dbraw/zinc/05/17/73/177051773.db2.gz WYORQDPAPJCERW-VXGBXAGGSA-N 2 0 219.332 1.813 20 0 BDADRP C[C@H]1CCCCC[N@@H+]1C[C@@H](O)CN(C)C1CC1 ZINC000310122256 177070267 /nfs/dbraw/zinc/07/02/67/177070267.db2.gz VJUKJHPTKKWVCT-JSGCOSHPSA-N 2 0 240.391 1.706 20 0 BDADRP C[C@H]1CC[N@H+](CCC(F)(F)F)C[C@H]1C[NH3+] ZINC000253191990 177159138 /nfs/dbraw/zinc/15/91/38/177159138.db2.gz MQEDHQMIFYPCHP-DTWKUNHWSA-N 2 0 224.270 1.856 20 0 BDADRP C[C@H]1CCOCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000375003019 177177121 /nfs/dbraw/zinc/17/71/21/177177121.db2.gz DWUCKKNLAWQXKB-STQMWFEESA-N 2 0 226.364 1.582 20 0 BDADRP C[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000133272111 177254931 /nfs/dbraw/zinc/25/49/31/177254931.db2.gz WJPBEEFZFZURDJ-GRYCIOLGSA-N 2 0 212.337 1.095 20 0 BDADRP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC1CC[NH2+]CC1 ZINC000094460815 177280043 /nfs/dbraw/zinc/28/00/43/177280043.db2.gz YHTJBSHFGLLJNU-GXTWGEPZSA-N 2 0 237.391 1.155 20 0 BDADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCCCCF ZINC000308506265 177324519 /nfs/dbraw/zinc/32/45/19/177324519.db2.gz YZNINTOJZAPXET-QWRGUYRKSA-N 2 0 202.317 1.795 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCO1 ZINC000300425473 177330875 /nfs/dbraw/zinc/33/08/75/177330875.db2.gz ZBTCGFHPWPIASL-WSOGJNRSSA-N 2 0 238.375 1.769 20 0 BDADRP C[C@@H](O)CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000082993030 177332060 /nfs/dbraw/zinc/33/20/60/177332060.db2.gz DUQNWNUTORGVJR-WRWGMCAJSA-N 2 0 214.353 1.076 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCNc2ccccn2)CC[N@@H+]1C ZINC000268996055 177332174 /nfs/dbraw/zinc/33/21/74/177332174.db2.gz NRGJTDSLZHJIJB-STQMWFEESA-N 2 0 248.374 1.566 20 0 BDADRP C[C@H]1C[C@H](C[N@H+](C)Cc2ccncc2)CC[NH2+]1 ZINC000235660034 177361464 /nfs/dbraw/zinc/36/14/64/177361464.db2.gz YUYTXUUWKAKWLV-GXTWGEPZSA-N 2 0 233.359 1.902 20 0 BDADRP CN1CC[N@H+](CC2CC[NH2+]CC2)CC1(C)C ZINC000082483735 487639854 /nfs/dbraw/zinc/63/98/54/487639854.db2.gz WDCGHQYWAOTBJN-UHFFFAOYSA-N 2 0 225.380 1.012 20 0 BDADRP COC[C@]1(C)CC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000487046471 225283490 /nfs/dbraw/zinc/28/34/90/225283490.db2.gz QHQMUAURKRZCIL-UONOGXRCSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@H]1C[C@H]1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000488336776 225377883 /nfs/dbraw/zinc/37/78/83/225377883.db2.gz URVJDAQETAOLHC-AAEUAGOBSA-N 2 0 210.365 1.916 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400324281 226340622 /nfs/dbraw/zinc/34/06/22/226340622.db2.gz AXLIXYVZLMKXNI-IJLUTSLNSA-N 2 0 214.353 1.268 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400324287 226340649 /nfs/dbraw/zinc/34/06/49/226340649.db2.gz AXLIXYVZLMKXNI-WOPDTQHZSA-N 2 0 214.353 1.268 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000400339247 226341154 /nfs/dbraw/zinc/34/11/54/226341154.db2.gz HALLYZHLZKIIAN-XQHKEYJVSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCSC1)[C@H]1CCC[NH2+]1 ZINC000400370768 226341983 /nfs/dbraw/zinc/34/19/83/226341983.db2.gz AIIOVTMWDGJVSH-GARJFASQSA-N 2 0 214.378 1.470 20 0 BDADRP C[C@H]([NH2+][C@H](CO)C1CCCC1)[C@H]1CCC[NH2+]1 ZINC000400421718 226343502 /nfs/dbraw/zinc/34/35/02/226343502.db2.gz XBOHWZAOIBTCFG-CYZMBNFOSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@H](NC[C@@H](O)CC(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000400467786 226344221 /nfs/dbraw/zinc/34/42/21/226344221.db2.gz UFHNMYGTEYLQBE-SRVKXCTJSA-N 2 0 228.380 1.514 20 0 BDADRP CSC1(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000400510595 226345324 /nfs/dbraw/zinc/34/53/24/226345324.db2.gz IXEGKMBURBQHKV-NXEZZACHSA-N 2 0 214.378 1.612 20 0 BDADRP COC[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335832502 487667955 /nfs/dbraw/zinc/66/79/55/487667955.db2.gz CRMNAGBCQDUXIO-RYUDHWBXSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCCc1cncn1C ZINC000314899757 487670280 /nfs/dbraw/zinc/67/02/80/487670280.db2.gz NFIBPAIYIDAVCX-VXGBXAGGSA-N 2 0 236.363 1.164 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424377702 229160066 /nfs/dbraw/zinc/16/00/66/229160066.db2.gz RNYQEPOSVLFYIL-FRRDWIJNSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CCOC1)[C@@H]1CCC[NH2+]1 ZINC000400535464 229240344 /nfs/dbraw/zinc/24/03/44/229240344.db2.gz TUDWYYXZFVCVKT-TUAOUCFPSA-N 2 0 212.337 1.143 20 0 BDADRP C[N@H+](CCC[NH3+])CCc1ccc2c(c1)CCO2 ZINC000088100644 487703175 /nfs/dbraw/zinc/70/31/75/487703175.db2.gz HIMKIBMJWAPSSM-UHFFFAOYSA-N 2 0 234.343 1.445 20 0 BDADRP CCC[C@H](C)[NH2+][C@@H](CCC[NH3+])COC ZINC000233338715 487710547 /nfs/dbraw/zinc/71/05/47/487710547.db2.gz SSCYTBBADGXPEJ-QWRGUYRKSA-N 2 0 202.342 1.519 20 0 BDADRP CC[NH+]1CCC(NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000233469405 487719129 /nfs/dbraw/zinc/71/91/29/487719129.db2.gz DQZQEGUBBKOSQI-ZDUSSCGKSA-N 2 0 225.380 1.202 20 0 BDADRP [NH3+]C1CCC([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000086403955 487720922 /nfs/dbraw/zinc/72/09/22/487720922.db2.gz WFTRKAJWDIZBGF-ADPBJBESSA-N 3 0 211.353 1.116 20 0 BDADRP CC(C)(O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250366624 487730772 /nfs/dbraw/zinc/73/07/72/487730772.db2.gz PATZABMBWIVXPY-NWDGAFQWSA-N 2 0 226.364 1.221 20 0 BDADRP CCC[N@H+](CC)CCNC(=O)CCC(C)(C)[NH3+] ZINC000226407335 487736357 /nfs/dbraw/zinc/73/63/57/487736357.db2.gz RWODVILMBAAFGJ-UHFFFAOYSA-N 2 0 243.395 1.352 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000250654746 487737994 /nfs/dbraw/zinc/73/79/94/487737994.db2.gz NLZAXWDGLWIDGP-RQJABVFESA-N 2 0 237.391 1.473 20 0 BDADRP COCC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000163664548 487756402 /nfs/dbraw/zinc/75/64/02/487756402.db2.gz WHVLSIFCVYFHJM-RVMXOQNASA-N 2 0 226.364 1.471 20 0 BDADRP CC[C@H]1C[N@H+](CCOCC(C)C)CC[C@@H]1[NH3+] ZINC000234198648 487770523 /nfs/dbraw/zinc/77/05/23/487770523.db2.gz ROPXGORIUXYBQE-STQMWFEESA-N 2 0 228.380 1.718 20 0 BDADRP C[C@@H]1C[N@H+](CCOCc2ccccc2)CC[C@H]1[NH3+] ZINC000309863604 487775827 /nfs/dbraw/zinc/77/58/27/487775827.db2.gz DVSONRLBXFMHHN-UKRRQHHQSA-N 2 0 248.370 1.872 20 0 BDADRP CC[C@H]1C[N@H+](CCc2cccnc2)CC[C@H]1[NH3+] ZINC000251679200 487788906 /nfs/dbraw/zinc/78/89/06/487788906.db2.gz HVBFUIDPJCYZCG-UONOGXRCSA-N 2 0 233.359 1.683 20 0 BDADRP CN(CC[NH+]1CCCCC1)C[C@@H]1CCC[NH2+]C1 ZINC000234308959 487799156 /nfs/dbraw/zinc/79/91/56/487799156.db2.gz CKAOFGNEBFGJEY-CQSZACIVSA-N 2 0 239.407 1.404 20 0 BDADRP CC(C)C[C@@H](CO)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156059021 487809435 /nfs/dbraw/zinc/80/94/35/487809435.db2.gz QNPCSHOMKHONFJ-MELADBBJSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@H]2CCC[C@H]([NH3+])C2)CC[NH2+]1 ZINC000414913988 487828004 /nfs/dbraw/zinc/82/80/04/487828004.db2.gz JYVWYQVMODBNFC-NDBYEHHHSA-N 3 0 225.380 1.234 20 0 BDADRP [NH3+]CCCN[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414951503 487831160 /nfs/dbraw/zinc/83/11/60/487831160.db2.gz JCJMFDDQDFURBZ-HNNXBMFYSA-N 2 0 243.354 1.778 20 0 BDADRP Cc1cccc(CC[NH2+]C[C@@H]([NH3+])CC(C)C)n1 ZINC000415105600 487837783 /nfs/dbraw/zinc/83/77/83/487837783.db2.gz MRNOZQYVBUFRDV-ZDUSSCGKSA-N 2 0 235.375 1.896 20 0 BDADRP Cc1cccc(CC[NH2+]C2CCC([NH3+])CC2)n1 ZINC000415104389 487837873 /nfs/dbraw/zinc/83/78/73/487837873.db2.gz LAWRAQKLVQHAKQ-UHFFFAOYSA-N 2 0 233.359 1.792 20 0 BDADRP C[C@](O)(C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000379889263 487850143 /nfs/dbraw/zinc/85/01/43/487850143.db2.gz ZLULSNZUMSMFJK-TUAOUCFPSA-N 2 0 212.337 1.007 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H](C)COC)CC[C@H]1[NH3+] ZINC000253110042 487851351 /nfs/dbraw/zinc/85/13/51/487851351.db2.gz GAWKFIDWUXGHQU-IJLUTSLNSA-N 2 0 214.353 1.328 20 0 BDADRP Cn1ncc2c1CCC[C@@H]2[N@H+](C)CCC[NH3+] ZINC000666649714 487851573 /nfs/dbraw/zinc/85/15/73/487851573.db2.gz MJCRXQSDKXDBEX-NSHDSACASA-N 2 0 222.336 1.078 20 0 BDADRP [NH3+]CCC[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000666689599 487860851 /nfs/dbraw/zinc/86/08/51/487860851.db2.gz OQUHPMFDQAFNRV-UHFFFAOYSA-N 2 0 220.316 1.142 20 0 BDADRP CCSCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000129059472 487875733 /nfs/dbraw/zinc/87/57/33/487875733.db2.gz GMZFJCFKEPLYBU-NWDGAFQWSA-N 2 0 228.405 1.956 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)NC[C@H]1CCCC[NH2+]1 ZINC000666770884 487876711 /nfs/dbraw/zinc/87/67/11/487876711.db2.gz XTFMGFXZIYAVNP-FRRDWIJNSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+]C[C@H]2CCCCN2)CC[NH2+]1 ZINC000666770573 487877684 /nfs/dbraw/zinc/87/76/84/487877684.db2.gz KBLNUDZWHQTQFK-FRRDWIJNSA-N 2 0 225.380 1.106 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000234837510 487884424 /nfs/dbraw/zinc/88/44/24/487884424.db2.gz VOCLCZRKHPPTSV-TUUUFIMRSA-N 2 0 226.364 1.804 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)[C@H](C)CO1 ZINC000403799444 487888995 /nfs/dbraw/zinc/88/89/95/487888995.db2.gz DYKNGEOJCKJKGV-AAVRWANBSA-N 2 0 240.391 1.874 20 0 BDADRP COC[C@@H](CC(C)C)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666954083 487891653 /nfs/dbraw/zinc/89/16/53/487891653.db2.gz PJMGXIIITCOPQG-OLZOCXBDSA-N 2 0 240.391 1.779 20 0 BDADRP COC[C@H](CC(C)C)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666857869 487891659 /nfs/dbraw/zinc/89/16/59/487891659.db2.gz NFVFPDYZGKXZTR-STQMWFEESA-N 2 0 228.380 1.779 20 0 BDADRP Cc1ncccc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666855162 487891233 /nfs/dbraw/zinc/89/12/33/487891233.db2.gz BLKHQXWVSBDZKH-CYBMUJFWSA-N 2 0 219.332 1.622 20 0 BDADRP C[C@H](CC1CCOCC1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666857664 487892316 /nfs/dbraw/zinc/89/23/16/487892316.db2.gz DIWULLMDQAJWAE-TZMCWYRMSA-N 2 0 240.391 1.923 20 0 BDADRP COC[C@H](C)C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000666904087 487900583 /nfs/dbraw/zinc/90/05/83/487900583.db2.gz OQUBNSRCIYUKRE-NEPJUHHUSA-N 2 0 214.353 1.391 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000666910456 487901612 /nfs/dbraw/zinc/90/16/12/487901612.db2.gz PBWLQCZWHXQESP-NWDGAFQWSA-N 2 0 234.343 1.880 20 0 BDADRP CC[NH+](CC)CCC[NH2+]Cc1ccc(=O)[nH]c1 ZINC000083365168 487903297 /nfs/dbraw/zinc/90/32/97/487903297.db2.gz GZUIGANVBNDRKA-UHFFFAOYSA-N 2 0 237.347 1.196 20 0 BDADRP C[C@H]([NH3+])[C@H](C)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000666930223 487907614 /nfs/dbraw/zinc/90/76/14/487907614.db2.gz ANKQAKYHGFSFDO-SRVKXCTJSA-N 2 0 234.343 1.878 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000229367071 487910820 /nfs/dbraw/zinc/91/08/20/487910820.db2.gz WZTRCIHZRCNMBQ-STQMWFEESA-N 2 0 238.375 1.759 20 0 BDADRP COc1cccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c1 ZINC000666950778 487913171 /nfs/dbraw/zinc/91/31/71/487913171.db2.gz GQYSWLMPZFALBD-CQSZACIVSA-N 2 0 246.354 1.927 20 0 BDADRP CC(C)(C)[NH2+]CCN[C@H]1CC12CC[NH2+]CC2 ZINC000666955424 487917240 /nfs/dbraw/zinc/91/72/40/487917240.db2.gz JGNIIVPPHUOWOZ-NSHDSACASA-N 2 0 225.380 1.106 20 0 BDADRP CCOC[C@H](C)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995652 487920785 /nfs/dbraw/zinc/92/07/85/487920785.db2.gz VJJBDOIODONTIF-RYUDHWBXSA-N 2 0 226.364 1.676 20 0 BDADRP CN(CC[NH3+])Cc1ccc2cnccc2c1 ZINC000667043893 487933746 /nfs/dbraw/zinc/93/37/46/487933746.db2.gz KYYBLYUSEMSSCZ-UHFFFAOYSA-N 2 0 215.300 1.625 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)C1CC[NH+](C)CC1 ZINC000396445045 487933307 /nfs/dbraw/zinc/93/33/07/487933307.db2.gz OKHZKTFMIOCWPV-BZPMIXESSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@H]1C[C@H](C[N@@H+]2CCC[C@@H]3COC[C@@H]32)CC[NH2+]1 ZINC000667048432 487933595 /nfs/dbraw/zinc/93/35/95/487933595.db2.gz WLHAJFHYIUSGBN-DGAVXFQQSA-N 2 0 238.375 1.485 20 0 BDADRP CC[NH2+]CCCN[C@H](C)c1c[nH+]ccc1N ZINC000567639056 323034246 /nfs/dbraw/zinc/03/42/46/323034246.db2.gz OXRVIWZSHVNECD-SNVBAGLBSA-N 2 0 222.336 1.144 20 0 BDADRP CC(C)C(=O)NCCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000569825392 323041930 /nfs/dbraw/zinc/04/19/30/323041930.db2.gz PGGASKYVOKUKRB-NEPJUHHUSA-N 2 0 241.379 1.008 20 0 BDADRP CC1=CC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000569833052 323041967 /nfs/dbraw/zinc/04/19/67/323041967.db2.gz ODYLUMLUTGRODZ-UONOGXRCSA-N 2 0 238.375 1.532 20 0 BDADRP CC(C)C(=O)NCCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000569825393 323042012 /nfs/dbraw/zinc/04/20/12/323042012.db2.gz PGGASKYVOKUKRB-NWDGAFQWSA-N 2 0 241.379 1.008 20 0 BDADRP c1[nH]nc2cc(C[NH2+]C[C@@H]3CCC[NH2+]C3)ccc12 ZINC000570380616 323057833 /nfs/dbraw/zinc/05/78/33/323057833.db2.gz QIZRDTOLCDPVMY-GFCCVEGCSA-N 2 0 244.342 1.652 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCOCC1CCC1 ZINC000570389077 323058140 /nfs/dbraw/zinc/05/81/40/323058140.db2.gz OWHCBUHZWOMDQV-CHWSQXEVSA-N 2 0 226.364 1.520 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CC2(CCO)CCCC2)C1 ZINC000570649965 323066137 /nfs/dbraw/zinc/06/61/37/323066137.db2.gz NPRIAOCWJDODMP-STQMWFEESA-N 2 0 240.391 1.789 20 0 BDADRP CC[C@H](C)[NH+]1CCC([NH2+]CCOC)CC1 ZINC000570689407 323067227 /nfs/dbraw/zinc/06/72/27/323067227.db2.gz MMMUIXZRMAFZPU-NSHDSACASA-N 2 0 214.353 1.485 20 0 BDADRP CC(C)n1nccc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000570719700 323068557 /nfs/dbraw/zinc/06/85/57/323068557.db2.gz SGOLFPMBHIONGS-MNOVXSKESA-N 2 0 224.352 1.679 20 0 BDADRP CC(C)n1nccc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000570719692 323068577 /nfs/dbraw/zinc/06/85/77/323068577.db2.gz SGOLFPMBHIONGS-GHMZBOCLSA-N 2 0 224.352 1.679 20 0 BDADRP Cc1nc(C[NH2+]CCCC[NH+](C)C)[nH]c1C ZINC000570816052 323071632 /nfs/dbraw/zinc/07/16/32/323071632.db2.gz HQWIAMDIPXTXJH-UHFFFAOYSA-N 2 0 224.352 1.458 20 0 BDADRP CCc1noc([C@H](C)N2CCC[C@H](C[NH3+])C2)n1 ZINC000570843600 323072189 /nfs/dbraw/zinc/07/21/89/323072189.db2.gz LFKGCKBPBVMYEV-VHSXEESVSA-N 2 0 238.335 1.364 20 0 BDADRP C[C@H]1[NH2+]CC[C@@H]1c1nc(C2([NH3+])CCCC2)no1 ZINC000563120909 323093509 /nfs/dbraw/zinc/09/35/09/323093509.db2.gz MWTHTTTURCJXFO-BDAKNGLRSA-N 2 0 236.319 1.263 20 0 BDADRP CC[NH+]1CCC(N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000221797854 323096719 /nfs/dbraw/zinc/09/67/19/323096719.db2.gz DOMINLNBDMUOLY-JSGCOSHPSA-N 2 0 239.407 1.543 20 0 BDADRP COCCC1CC[NH+](CCC[NH3+])CC1 ZINC000409427585 323099358 /nfs/dbraw/zinc/09/93/58/323099358.db2.gz KXLSZANKTJULID-UHFFFAOYSA-N 2 0 200.326 1.084 20 0 BDADRP COC[C@@H](C)C[NH2+][C@@H](C)CC[NH+](C)C ZINC000123177444 323101860 /nfs/dbraw/zinc/10/18/60/323101860.db2.gz YLNIYNYQAYOJIY-QWRGUYRKSA-N 2 0 202.342 1.199 20 0 BDADRP CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000563429681 323125044 /nfs/dbraw/zinc/12/50/44/323125044.db2.gz KYRBGVAFJAIGHO-QWHCGFSZSA-N 2 0 248.374 1.507 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000563424787 323126034 /nfs/dbraw/zinc/12/60/34/323126034.db2.gz NLTIDMDKVCEWHS-IJLUTSLNSA-N 2 0 213.369 1.363 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H](O)Cc2ccccc2)C1 ZINC000571416566 323144329 /nfs/dbraw/zinc/14/43/29/323144329.db2.gz GQYMPYXRLDRSHO-ILXRZTDVSA-N 2 0 248.370 1.450 20 0 BDADRP CCNC(=O)C(C)(C)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000571417975 323144477 /nfs/dbraw/zinc/14/44/77/323144477.db2.gz QFJBDVOSNPIHJK-MNOVXSKESA-N 2 0 241.379 1.008 20 0 BDADRP C[C@@H]1CCC[C@@H]([NH2+]CCN2CC[NH2+]CC2)[C@@H]1C ZINC000414893941 323151802 /nfs/dbraw/zinc/15/18/02/323151802.db2.gz ZRGJJZAQGIWPHH-MGPQQGTHSA-N 2 0 239.407 1.306 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]C(C1CC1)C1CC1 ZINC000308818078 323178966 /nfs/dbraw/zinc/17/89/66/323178966.db2.gz JABSSSYPGHBWEX-SKDRFNHKSA-N 2 0 208.349 1.763 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCC[NH+](C)C)[C@@H](C)O1 ZINC000395014596 323185114 /nfs/dbraw/zinc/18/51/14/323185114.db2.gz NBFXKBCXZGOVLG-GMTAPVOTSA-N 2 0 200.326 1.094 20 0 BDADRP CC[NH+]1CCC(C[NH2+]C[C@H]2C[C@@H]2C)CC1 ZINC000309034387 323197319 /nfs/dbraw/zinc/19/73/19/323197319.db2.gz HFFFAXCMPFJGPT-WCQYABFASA-N 2 0 210.365 1.964 20 0 BDADRP CC[C@H](COC)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000070624298 323205246 /nfs/dbraw/zinc/20/52/46/323205246.db2.gz NTQYTSJNOFSZNF-NWDGAFQWSA-N 2 0 214.353 1.343 20 0 BDADRP C[C@H]([NH2+]CC12CC(C1)CO2)[C@H]1CCC[NH2+]C1 ZINC000530218337 323217653 /nfs/dbraw/zinc/21/76/53/323217653.db2.gz FMSDWQNSUOJTBO-QCXCNERSSA-N 2 0 224.348 1.143 20 0 BDADRP CC(C)[NH2+]CCC(=O)NCc1ccc(C[NH3+])cc1 ZINC000572040619 323529167 /nfs/dbraw/zinc/52/91/67/323529167.db2.gz GZUKHQSOVMFISZ-UHFFFAOYSA-N 2 0 249.358 1.150 20 0 BDADRP CC[NH2+]CCC[NH2+][C@@H](COC)C(C)C ZINC000515828727 324115715 /nfs/dbraw/zinc/11/57/15/324115715.db2.gz DLJWLLCZPLDHDB-NSHDSACASA-N 2 0 202.342 1.247 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)C(C)(C)C ZINC000572497342 324134172 /nfs/dbraw/zinc/13/41/72/324134172.db2.gz LPQVIYNSHPYTGX-SDDRHHMPSA-N 2 0 228.380 1.907 20 0 BDADRP CC[C@H](O)CC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000123398596 324364662 /nfs/dbraw/zinc/36/46/62/324364662.db2.gz DNCWOUHRVFXRCO-SRVKXCTJSA-N 2 0 214.353 1.077 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc2cn(C)nc2c1 ZINC000530219016 324537410 /nfs/dbraw/zinc/53/74/10/324537410.db2.gz OOKKEVLGDAJSLE-WDEREUQCSA-N 2 0 246.358 1.789 20 0 BDADRP COC[C@@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000083906936 487964062 /nfs/dbraw/zinc/96/40/62/487964062.db2.gz LGCMZCVYOASHNU-CQSZACIVSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@@H](C[NH+](C)C)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130126951 325016419 /nfs/dbraw/zinc/01/64/19/325016419.db2.gz VFEZPABTLHQQFR-RWMBFGLXSA-N 2 0 225.380 1.153 20 0 BDADRP CC(C)[N@H+](C)CCN[C@@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000130451645 325053073 /nfs/dbraw/zinc/05/30/73/325053073.db2.gz MHQFTEXEWLOXSH-CHWSQXEVSA-N 2 0 239.407 1.541 20 0 BDADRP COC[C@@H](C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000131902783 325190511 /nfs/dbraw/zinc/19/05/11/325190511.db2.gz HPEQPLBULCGKMK-FUDCBSFHSA-N 2 0 240.391 1.874 20 0 BDADRP CC1(C)C[N@H+](C[C@@H]2CC[NH2+]C2)CCS1 ZINC000158592433 487968291 /nfs/dbraw/zinc/96/82/91/487968291.db2.gz ASYVUNWSLQITKZ-SNVBAGLBSA-N 2 0 214.378 1.423 20 0 BDADRP C[C@@H](CNC(=O)CCCC[NH+](C)C)C[NH+](C)C ZINC000553227858 325682186 /nfs/dbraw/zinc/68/21/86/325682186.db2.gz FCLGUHHAMCXZRX-LBPRGKRZSA-N 2 0 243.395 1.032 20 0 BDADRP C(C[NH2+]C(C1CC1)C1CC1)CN1CC[NH2+]CC1 ZINC000564822781 325812309 /nfs/dbraw/zinc/81/23/09/325812309.db2.gz MXMDOHZOMJNHHJ-UHFFFAOYSA-N 2 0 237.391 1.060 20 0 BDADRP CC(C)[NH2+]CCC[NH2+][C@@H]1CCCOCC1 ZINC000564822860 325812426 /nfs/dbraw/zinc/81/24/26/325812426.db2.gz OJPVSWYSLVWPFB-GFCCVEGCSA-N 2 0 214.353 1.533 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000565599135 325932858 /nfs/dbraw/zinc/93/28/58/325932858.db2.gz MKXDTHJDUHCYBA-LSDHHAIUSA-N 3 0 247.386 1.752 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NCC[NH2+]C(C)(C)C ZINC000566230267 326019382 /nfs/dbraw/zinc/01/93/82/326019382.db2.gz WZCMFSQWDZCLMO-UWVGGRQHSA-N 2 0 201.358 1.090 20 0 BDADRP CCN(C)C[C@@H](O)C[N@@H+]1CCCC12CCC2 ZINC000566412397 326041456 /nfs/dbraw/zinc/04/14/56/326041456.db2.gz FQVMDAXLRVLCAT-GFCCVEGCSA-N 2 0 226.364 1.318 20 0 BDADRP CC(C)[N@@H+](C)C[C@H](C)N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000566648782 326068803 /nfs/dbraw/zinc/06/88/03/326068803.db2.gz CVCSRHHNYLDSAL-MJBXVCDLSA-N 2 0 241.423 1.787 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)[C@@H]1CCCC[NH2+]1 ZINC000566908998 326092991 /nfs/dbraw/zinc/09/29/91/326092991.db2.gz WBQVDPGBACOUTH-YPMHNXCESA-N 3 0 225.380 1.106 20 0 BDADRP C[N@@H+]1CCC[C@@]2(CCN(Cc3cnccn3)C2)C1 ZINC000566959577 326096870 /nfs/dbraw/zinc/09/68/70/326096870.db2.gz ZWGUBDGPRYXMRQ-CQSZACIVSA-N 2 0 246.358 1.394 20 0 BDADRP C[N@@H+]1CCC[C@@H](CNCc2ccncc2F)C1 ZINC000567322335 326160191 /nfs/dbraw/zinc/16/01/91/326160191.db2.gz DXXJKNFESVIHDH-NSHDSACASA-N 2 0 237.322 1.652 20 0 BDADRP CC[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)C(C)C ZINC000155052793 326181440 /nfs/dbraw/zinc/18/14/40/326181440.db2.gz FESSEWLVSUKNGM-UONOGXRCSA-N 2 0 241.423 1.647 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[C@H]([NH3+])C[C@H]1C ZINC000567482893 326201828 /nfs/dbraw/zinc/20/18/28/326201828.db2.gz APVBIDLBCRYNGQ-WOPDTQHZSA-N 2 0 213.369 1.171 20 0 BDADRP NC(=O)CC[NH2+]CCCCC[NH+]1CCCCC1 ZINC000567690653 326245940 /nfs/dbraw/zinc/24/59/40/326245940.db2.gz GMRCSCCRZZAMNE-UHFFFAOYSA-N 2 0 241.379 1.108 20 0 BDADRP C[C@@H]([NH2+]C1CC1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000567839035 326267879 /nfs/dbraw/zinc/26/78/79/326267879.db2.gz NKXSRLWHOQDCDM-SECBINFHSA-N 2 0 233.315 1.224 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)C[C@H](C)C1 ZINC000568165561 326317884 /nfs/dbraw/zinc/31/78/84/326317884.db2.gz QOJHBSWHKQPYDM-RDBSUJKOSA-N 2 0 242.407 1.667 20 0 BDADRP CCO[C@@H]1C[C@@H]1[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000568499432 326359877 /nfs/dbraw/zinc/35/98/77/326359877.db2.gz ZWVNYPNFAVSBJA-NOOOWODRSA-N 2 0 212.337 1.142 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)NCCC[NH2+]C(C)C ZINC000568737892 326374196 /nfs/dbraw/zinc/37/41/96/326374196.db2.gz BQZZLKBHETXUQV-GFCCVEGCSA-N 2 0 229.368 1.008 20 0 BDADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]CC2CC[NH2+]CC2)C1 ZINC000568761727 326375895 /nfs/dbraw/zinc/37/58/95/326375895.db2.gz GRKMBDVLMIIFOU-OLZOCXBDSA-N 3 0 225.380 1.093 20 0 BDADRP CC(C)[C@@H]([NH3+])CNC1CC[NH+](CC2CC2)CC1 ZINC000569090340 326389255 /nfs/dbraw/zinc/38/92/55/326389255.db2.gz GWRJRRMHZRGHBC-AWEZNQCLSA-N 2 0 239.407 1.434 20 0 BDADRP C[C@H](CCC[NH3+])NC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000569104931 326390456 /nfs/dbraw/zinc/39/04/56/326390456.db2.gz OTOPDCWSIPVNPJ-BXUZGUMPSA-N 2 0 249.358 1.104 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000449616974 487972095 /nfs/dbraw/zinc/97/20/95/487972095.db2.gz FWXKIBKQIKOTAC-OLZOCXBDSA-N 2 0 247.342 1.472 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2ncc[nH]2)CC1 ZINC000572906931 326418570 /nfs/dbraw/zinc/41/85/70/326418570.db2.gz VQVQKXBLDBGRSO-NSHDSACASA-N 2 0 236.363 1.792 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCOCC1CCC1 ZINC000573197705 326434586 /nfs/dbraw/zinc/43/45/86/326434586.db2.gz VVOMZCCBXFRIMZ-GXTWGEPZSA-N 2 0 240.391 1.781 20 0 BDADRP CC(C)[C@](C)(O)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400960788 488011848 /nfs/dbraw/zinc/01/18/48/488011848.db2.gz LCPJBJVZJZSDQJ-IGQOVBAYSA-N 2 0 240.391 1.371 20 0 BDADRP O[C@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000682717716 488024883 /nfs/dbraw/zinc/02/48/83/488024883.db2.gz YNKOETKRZPBNII-HZSPNIEDSA-N 2 0 238.375 1.079 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C(C)C ZINC000401061362 488025409 /nfs/dbraw/zinc/02/54/09/488025409.db2.gz GJMUTNAZVLBELD-AAVRWANBSA-N 2 0 240.391 1.635 20 0 BDADRP CC(C)C[C@H](CNC(=O)CC(C)(C)[NH3+])[NH+](C)C ZINC000084184305 488034745 /nfs/dbraw/zinc/03/47/45/488034745.db2.gz DSRUIKHYYWPOED-LLVKDONJSA-N 2 0 243.395 1.206 20 0 BDADRP Cc1ncc(CN(C)Cc2ccoc2)n1C ZINC000667544478 488041383 /nfs/dbraw/zinc/04/13/83/488041383.db2.gz IHNZQICDSKDRBH-UHFFFAOYSA-N 2 0 219.288 1.954 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CCCCOC)[C@@H](C)C1 ZINC000222026301 488047832 /nfs/dbraw/zinc/04/78/32/488047832.db2.gz DPRWJBNIKFFRSV-STQMWFEESA-N 2 0 228.380 1.733 20 0 BDADRP C[C@@H](O)C1CC[NH+](Cc2cnc3n2CCC3)CC1 ZINC000667585931 488053508 /nfs/dbraw/zinc/05/35/08/488053508.db2.gz GJJOQDVGORBKOP-LLVKDONJSA-N 2 0 249.358 1.422 20 0 BDADRP C[NH+](C)[C@@H]1CCN(c2[nH+]ccc3[nH]ccc32)C1 ZINC000663537299 488061391 /nfs/dbraw/zinc/06/13/91/488061391.db2.gz GAZQUUJLGHUCBH-SNVBAGLBSA-N 2 0 230.315 1.703 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000656200817 488066612 /nfs/dbraw/zinc/06/66/12/488066612.db2.gz QZYUDBPYTMPMCE-YIYPIFLZSA-N 3 0 239.407 1.434 20 0 BDADRP C[C@H](COCC1CC1)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000656200636 488066623 /nfs/dbraw/zinc/06/66/23/488066623.db2.gz SREYKBRNBRJMGJ-RTXFEEFZSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@@H](CO)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000121056395 490074671 /nfs/dbraw/zinc/07/46/71/490074671.db2.gz ACBLEKYSOAQDEA-ZIAGYGMSSA-N 2 0 240.391 1.423 20 0 BDADRP [NH3+]C1CC([NH2+][C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172710496 974925718 /nfs/dbraw/zinc/92/57/18/974925718.db2.gz DLWRLMKLFOMRCC-CPCZMJQVSA-N 2 0 236.746 1.887 20 0 BDADRP CC[NH+]1CCC([NH2+]CC2CCC(O)CC2)CC1 ZINC000227639304 488095702 /nfs/dbraw/zinc/09/57/02/488095702.db2.gz WOYORIONGWAWBE-UHFFFAOYSA-N 2 0 240.391 1.611 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)[C@H](C)[NH+](C)C)c1 ZINC000237107848 488103866 /nfs/dbraw/zinc/10/38/66/488103866.db2.gz FSWZBJMLBQOIOA-JTQLQIEISA-N 2 0 235.331 1.295 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2CCC(O)CC2)CC[N@@H+]1C ZINC000227648870 488108343 /nfs/dbraw/zinc/10/83/43/488108343.db2.gz CHLZALHRWNTUIO-ZIHBUVQPSA-N 2 0 240.391 1.610 20 0 BDADRP CCCn1nccc1C[NH2+]CCCC[NH+](C)C ZINC000160128166 488108852 /nfs/dbraw/zinc/10/88/52/488108852.db2.gz LGBPYJZDGFPUBX-UHFFFAOYSA-N 2 0 238.379 1.725 20 0 BDADRP [NH3+]Cc1cccc(NC(=O)CC[C@@H]2CCC[NH2+]2)c1 ZINC000669508414 488108922 /nfs/dbraw/zinc/10/89/22/488108922.db2.gz UTTBBQGYUMWGIN-LBPRGKRZSA-N 2 0 247.342 1.616 20 0 BDADRP C[NH+](C)CCC[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000667763019 488111334 /nfs/dbraw/zinc/11/13/34/488111334.db2.gz NONSFHHGHDUNGE-NWDGAFQWSA-N 2 0 212.337 1.095 20 0 BDADRP C[C@@H]1C[C@H]1C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000683110603 488112001 /nfs/dbraw/zinc/11/20/01/488112001.db2.gz QEUXKKANXXWWJI-OLZOCXBDSA-N 2 0 239.407 1.258 20 0 BDADRP C[C@H]1OCC[C@]1(C)[NH2+]CCN1CCC(C)CC1 ZINC000683146787 488120331 /nfs/dbraw/zinc/12/03/31/488120331.db2.gz NWFIHXCSCOHLFJ-KGLIPLIRSA-N 2 0 240.391 1.875 20 0 BDADRP C[NH2+]CCC[N@H+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403271930 488120392 /nfs/dbraw/zinc/12/03/92/488120392.db2.gz KKURHXOGCKMKCO-UPJWGTAASA-N 2 0 210.365 1.964 20 0 BDADRP COC[C@@H](C)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662292308 487541447 /nfs/dbraw/zinc/54/14/47/487541447.db2.gz DHMQIFVNMNGZED-OCCSQVGLSA-N 2 0 240.391 1.733 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCCOC2)C1 ZINC000674301991 487554466 /nfs/dbraw/zinc/55/44/66/487554466.db2.gz IJIWRWVVPXPNIV-RYUDHWBXSA-N 2 0 212.337 1.049 20 0 BDADRP CN(C)c1cc[nH+]c(NC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC000680258401 487554887 /nfs/dbraw/zinc/55/48/87/487554887.db2.gz RJVMDQLENACGKQ-SNVBAGLBSA-N 2 0 248.330 1.038 20 0 BDADRP CO[C@H](C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C)C1CCCC1 ZINC000662266431 487502275 /nfs/dbraw/zinc/50/22/75/487502275.db2.gz YZCZLOVVKCDGMO-YRGRVCCFSA-N 2 0 240.391 1.861 20 0 BDADRP C[C@@H]1C[C@@H]1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000381474388 487509827 /nfs/dbraw/zinc/50/98/27/487509827.db2.gz PYNIRNBBBGPSTE-NDBYEHHHSA-N 2 0 208.349 1.703 20 0 BDADRP CO[C@H](CN(C)[C@H](C[NH3+])C1CC1)C1CCCC1 ZINC000662274608 487522968 /nfs/dbraw/zinc/52/29/68/487522968.db2.gz XULCCBXOFJYBSI-ZIAGYGMSSA-N 2 0 240.391 1.861 20 0 BDADRP C([C@H]1CC[NH2+]C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000227093457 487523166 /nfs/dbraw/zinc/52/31/66/487523166.db2.gz PJNGNHDZMCKWTL-KBPBESRZSA-N 2 0 237.391 1.156 20 0 BDADRP Cc1nc(CN(C)CC[C@@H]([NH3+])C(C)C)co1 ZINC000381875058 487525154 /nfs/dbraw/zinc/52/51/54/487525154.db2.gz MBISXGDYXAHJAK-GFCCVEGCSA-N 2 0 225.336 1.788 20 0 BDADRP Cc1ccc(O)c(C[NH2+][C@@H]2CC23CC[NH2+]CC3)n1 ZINC000666952044 487890436 /nfs/dbraw/zinc/89/04/36/487890436.db2.gz DCIJLRFSEQEPGB-CYBMUJFWSA-N 2 0 247.342 1.327 20 0 BDADRP CC[N@@H+]1CCN(c2nc(C)nc(C)c2C)C[C@@H]1C ZINC000677152536 487984936 /nfs/dbraw/zinc/98/49/36/487984936.db2.gz NKFUSYBBOPPNIJ-JTQLQIEISA-N 2 0 248.374 1.932 20 0 BDADRP CC[N@@H+]1CCN(c2cc[nH+]c(C)c2)C[C@H]1C ZINC000681393048 488002665 /nfs/dbraw/zinc/00/26/65/488002665.db2.gz YQMVVCACOBYEBR-GFCCVEGCSA-N 2 0 219.332 1.920 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)CC[NH2+]C(C)C)cc1 ZINC000669520238 488138945 /nfs/dbraw/zinc/13/89/45/488138945.db2.gz INELSIZQJOCEAY-UHFFFAOYSA-N 2 0 249.358 1.733 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](CCc2ccnn2C)CC1 ZINC000230745472 488150819 /nfs/dbraw/zinc/15/08/19/488150819.db2.gz NDGWITNCWDRDHY-NSHDSACASA-N 2 0 236.363 1.022 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCCC[C@H]1C ZINC000379889105 488154256 /nfs/dbraw/zinc/15/42/56/488154256.db2.gz ADRDSKJYWXIRQL-KGLIPLIRSA-N 2 0 242.407 1.952 20 0 BDADRP CC[C@@H](C)[N@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000379855768 488154644 /nfs/dbraw/zinc/15/46/44/488154644.db2.gz BZDFGLUQKGDQFI-VXGBXAGGSA-N 2 0 216.369 1.418 20 0 BDADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667924286 488159532 /nfs/dbraw/zinc/15/95/32/488159532.db2.gz LAFYIWPMNOMJKP-UONOGXRCSA-N 2 0 236.359 1.405 20 0 BDADRP COC1([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)CCC1 ZINC000657877418 488159925 /nfs/dbraw/zinc/15/99/25/488159925.db2.gz RANGWUUOWNDDBW-OLZOCXBDSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@]1(CO)CCC[N@@H+]1Cc1cnc2n1CCC2 ZINC000668031541 488191071 /nfs/dbraw/zinc/19/10/71/488191071.db2.gz ZRWJTMYMCNUTDP-CYBMUJFWSA-N 2 0 235.331 1.176 20 0 BDADRP CC[C@H](C)C[C@@H](CO)[NH2+]C1CCN(CC)CC1 ZINC000647336111 488192432 /nfs/dbraw/zinc/19/24/32/488192432.db2.gz MPDGYYHVIGYHAJ-JSGCOSHPSA-N 2 0 242.407 1.857 20 0 BDADRP CCCN1CC[C@H]([NH2+][C@@H](C)CCCCO)C1 ZINC000398376480 488216481 /nfs/dbraw/zinc/21/64/81/488216481.db2.gz KYLXNGOBGJSTRK-STQMWFEESA-N 2 0 228.380 1.611 20 0 BDADRP CCCN1CC[C@@H]([NH2+][C@@H](C)CCCCO)C1 ZINC000398376478 488216496 /nfs/dbraw/zinc/21/64/96/488216496.db2.gz KYLXNGOBGJSTRK-QWHCGFSZSA-N 2 0 228.380 1.611 20 0 BDADRP CO[C@H]1CC[N@H+](Cc2cnc(C)n2C)C[C@@H]1C ZINC000668215347 488228503 /nfs/dbraw/zinc/22/85/03/488228503.db2.gz BMKAHDNGZVXQAT-GWCFXTLKSA-N 2 0 237.347 1.585 20 0 BDADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cn[nH]c2)C[C@H]1C ZINC000678277139 488235211 /nfs/dbraw/zinc/23/52/11/488235211.db2.gz RLTIHDYIUBTOIH-DGCLKSJQSA-N 2 0 236.363 1.714 20 0 BDADRP C[C@@H]1C[C@@H](N(C)Cc2cn[nH]c2)CC[N@@H+]1C ZINC000678278118 488235319 /nfs/dbraw/zinc/23/53/19/488235319.db2.gz MNVBDUNZXWAUAA-PWSUYJOCSA-N 2 0 222.336 1.324 20 0 BDADRP C[C@H]1CC[N@H+](Cc2cn[nH]c2)C[C@@H]1n1ccnc1 ZINC000678336758 488242010 /nfs/dbraw/zinc/24/20/10/488242010.db2.gz LKYTVCXUMXSIII-AAEUAGOBSA-N 2 0 245.330 1.689 20 0 BDADRP CC[NH+](CC)CC(=O)N(C)CCCC[NH+](C)C ZINC000673841380 488309675 /nfs/dbraw/zinc/30/96/75/488309675.db2.gz VBOKPOUDYSHQJO-UHFFFAOYSA-N 2 0 243.395 1.128 20 0 BDADRP Cc1c[nH+]ccc1N1CC[N@H+](CCO)C(C)(C)C1 ZINC000684588849 488329031 /nfs/dbraw/zinc/32/90/31/488329031.db2.gz QJKQFTBGYDMBRX-UHFFFAOYSA-N 2 0 249.358 1.283 20 0 BDADRP CO[C@@H](C)C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000679851534 488369054 /nfs/dbraw/zinc/36/90/54/488369054.db2.gz SBDMNYUAYUJXQE-RYUDHWBXSA-N 2 0 223.320 1.555 20 0 BDADRP CC[C@@H](CC(F)F)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000659851293 490093297 /nfs/dbraw/zinc/09/32/97/490093297.db2.gz YPHSSMYOJJSZOB-GARJFASQSA-N 2 0 232.318 1.819 20 0 BDADRP COc1ccc(CN2CC[C@H]([NH3+])[C@@H]2C)cc1C ZINC000261551622 490188966 /nfs/dbraw/zinc/18/89/66/490188966.db2.gz MJPHVFRSXPIEQB-AAEUAGOBSA-N 2 0 234.343 1.925 20 0 BDADRP [NH3+]CC1CC[NH+](CCOCc2ccccc2)CC1 ZINC000309711046 490192361 /nfs/dbraw/zinc/19/23/61/490192361.db2.gz JITWPYVTDYACNJ-UHFFFAOYSA-N 2 0 248.370 1.874 20 0 BDADRP C[NH+](C)C1(CN[C@H]2CCC[C@@H]([NH3+])C2)CCC1 ZINC000165165070 490232509 /nfs/dbraw/zinc/23/25/09/490232509.db2.gz YRVYUGGXOUBWOH-NEPJUHHUSA-N 2 0 225.380 1.330 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCCOC1)C1CC[NH+](C)CC1 ZINC000071011949 490252391 /nfs/dbraw/zinc/25/23/91/490252391.db2.gz UVYDQSQSPQMPGM-YPMHNXCESA-N 2 0 226.364 1.485 20 0 BDADRP CCCN1CC[C@@H]([NH2+][C@H](C)COCC)C1 ZINC000328508120 490297794 /nfs/dbraw/zinc/29/77/94/490297794.db2.gz MEYWIRRQXJTBGV-VXGBXAGGSA-N 2 0 214.353 1.485 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@](C)(CC)CO)CC1 ZINC000130333642 490355963 /nfs/dbraw/zinc/35/59/63/490355963.db2.gz WEOMVNPFSRTSBM-ZDUSSCGKSA-N 2 0 228.380 1.611 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CC[C@H](O)C1)C1CC[NH+](C)CC1 ZINC000300422925 490561369 /nfs/dbraw/zinc/56/13/69/490561369.db2.gz VRJJHMKAFGRBHF-OBJOEFQTSA-N 2 0 240.391 1.467 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+]Cc2cncnc2)CC1 ZINC000227330074 491058787 /nfs/dbraw/zinc/05/87/87/491058787.db2.gz NMRWYEXVNMNIHP-UHFFFAOYSA-N 2 0 234.347 1.298 20 0 BDADRP C[C@H]1CCC[N@H+](Cc2cnn(C)c2)[C@H]1CC[NH3+] ZINC000404398658 491098996 /nfs/dbraw/zinc/09/89/96/491098996.db2.gz PURXOYVYUIZBRI-AAEUAGOBSA-N 2 0 236.363 1.369 20 0 BDADRP C[NH+](C)[C@H](CN[C@H]1CCCn2ccnc21)C1CC1 ZINC000655698164 491123944 /nfs/dbraw/zinc/12/39/44/491123944.db2.gz YEJHKIZQAYVVJU-QWHCGFSZSA-N 2 0 248.374 1.648 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ncc[nH]1 ZINC000124803274 491128597 /nfs/dbraw/zinc/12/85/97/491128597.db2.gz IKDFTZFNJXQBIR-SNVBAGLBSA-N 2 0 222.336 1.402 20 0 BDADRP CC1(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000668739018 491133116 /nfs/dbraw/zinc/13/31/16/491133116.db2.gz IOEDNRKRENWGHQ-CYBMUJFWSA-N 2 0 238.375 1.318 20 0 BDADRP COC(=O)[C@H]1CCC[C@@H]([NH2+]C2CC([NH3+])C2)CC1 ZINC001172778093 974938683 /nfs/dbraw/zinc/93/86/83/974938683.db2.gz STWWPJPVHXQLQY-UZEXVOJHSA-N 2 0 240.347 1.188 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@H]1CCC[NH2+]1 ZINC000400698869 533838709 /nfs/dbraw/zinc/83/87/09/533838709.db2.gz JPXXKUWCIOKZKV-WCQYABFASA-N 3 0 225.380 1.058 20 0 BDADRP C[C@@H]1C[C@H]1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000488336780 534019042 /nfs/dbraw/zinc/01/90/42/534019042.db2.gz URVJDAQETAOLHC-YPMHNXCESA-N 2 0 210.365 1.916 20 0 BDADRP C[C@@H]1C[C@H]1C[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000488434998 534029532 /nfs/dbraw/zinc/02/95/32/534029532.db2.gz QNTVEOMUSNBCAM-HZSPNIEDSA-N 2 0 240.391 1.325 20 0 BDADRP CCc1nn(C)cc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000168661694 535830216 /nfs/dbraw/zinc/83/02/16/535830216.db2.gz NBCWIIHPRMJVLA-GWCFXTLKSA-N 2 0 236.363 1.200 20 0 BDADRP CC[C@](C)(O)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000177961330 535856019 /nfs/dbraw/zinc/85/60/19/535856019.db2.gz HFLYEFZORAIVCF-AWEZNQCLSA-N 2 0 242.407 2.000 20 0 BDADRP CC[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000251741139 535859501 /nfs/dbraw/zinc/85/95/01/535859501.db2.gz KWAUYNQQCLGETK-VXGBXAGGSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@H]1C[N@H+](CC2CC[NH+](C)CC2)CCCO1 ZINC000891916771 582737762 /nfs/dbraw/zinc/73/77/62/582737762.db2.gz ORUFWEMLUZATNR-LBPRGKRZSA-N 2 0 226.364 1.439 20 0 BDADRP CCC1(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)CCOCC1 ZINC000400504925 527752539 /nfs/dbraw/zinc/75/25/39/527752539.db2.gz CWGXJOQJSYENCI-QWHCGFSZSA-N 2 0 240.391 1.923 20 0 BDADRP COC[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261635938 536523563 /nfs/dbraw/zinc/52/35/63/536523563.db2.gz FHHVENLPVHAKPQ-YUELXQCFSA-N 2 0 248.370 1.696 20 0 BDADRP CCC[N@H+](CC)CCNC(=O)C[NH+](CC)CC ZINC000174637769 527966801 /nfs/dbraw/zinc/96/68/01/527966801.db2.gz LGHHFDLJMPCPLE-UHFFFAOYSA-N 2 0 243.395 1.176 20 0 BDADRP CCC[N@H+](CC)CCN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400322317 527980333 /nfs/dbraw/zinc/98/03/33/527980333.db2.gz BKTKHZZLAOWFQZ-STQMWFEESA-N 2 0 227.396 1.448 20 0 BDADRP CC(C)COCCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400487270 528094515 /nfs/dbraw/zinc/09/45/15/528094515.db2.gz XXHRFEXKAUVOJB-STQMWFEESA-N 2 0 228.380 1.779 20 0 BDADRP CCC[C@H](CCO)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400438634 528126276 /nfs/dbraw/zinc/12/62/76/528126276.db2.gz LVRGVUPQFUATLO-JHJVBQTASA-N 2 0 228.380 1.515 20 0 BDADRP CCC[C@H](CCO)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400438636 528126479 /nfs/dbraw/zinc/12/64/79/528126479.db2.gz LVRGVUPQFUATLO-XQQFMLRXSA-N 2 0 228.380 1.515 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@H](C)[C@H]1CCC[NH2+]1 ZINC000400344731 528180174 /nfs/dbraw/zinc/18/01/74/528180174.db2.gz INWDJZKYMWWXOZ-YNEHKIRRSA-N 2 0 227.396 1.447 20 0 BDADRP CCC(CC)(C[NH3+])NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000494568707 528652084 /nfs/dbraw/zinc/65/20/84/528652084.db2.gz ZSBXRSXZHAXBCV-LLVKDONJSA-N 2 0 241.379 1.152 20 0 BDADRP CC(C)[C@@](C)(C[NH3+])NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494572619 528857499 /nfs/dbraw/zinc/85/74/99/528857499.db2.gz BELHHKHEVODSGY-WCQYABFASA-N 2 0 241.379 1.008 20 0 BDADRP CCC(O)(CC)CC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000471782152 528964656 /nfs/dbraw/zinc/96/46/56/528964656.db2.gz RHZHTGSMXWIDCQ-CHWSQXEVSA-N 2 0 242.407 1.857 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCSC1 ZINC000335646744 534986427 /nfs/dbraw/zinc/98/64/27/534986427.db2.gz MILUSJLVGCIJMV-VHSXEESVSA-N 2 0 214.378 1.470 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@H](C)[C@H]1CCOC1 ZINC000252715106 535002756 /nfs/dbraw/zinc/00/27/56/535002756.db2.gz UQXNHCAEHLGUFP-OLZOCXBDSA-N 2 0 228.380 1.731 20 0 BDADRP CC1(C)[C@H]([NH2+]CCCC[NH3+])[C@H]2CCCO[C@@H]21 ZINC000082945446 535069829 /nfs/dbraw/zinc/06/98/29/535069829.db2.gz FOSBEMLBXGSTLW-UTUOFQBUSA-N 2 0 226.364 1.519 20 0 BDADRP CC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)COC1 ZINC000250813166 535157902 /nfs/dbraw/zinc/15/79/02/535157902.db2.gz VRVOXQQZVTXNRN-NEPJUHHUSA-N 2 0 224.348 1.239 20 0 BDADRP CC(C)[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CCN1C ZINC000262037170 535261992 /nfs/dbraw/zinc/26/19/92/535261992.db2.gz XWZIWWDNVXVWIQ-AWEZNQCLSA-N 2 0 239.407 1.258 20 0 BDADRP CCC[N@H+](CC)CCN[C@H]1CCC[NH2+]CC1 ZINC000217645076 535300810 /nfs/dbraw/zinc/30/08/10/535300810.db2.gz CBPVWZCGWRLFHQ-ZDUSSCGKSA-N 2 0 227.396 1.450 20 0 BDADRP CC[NH2+]CC1CC[NH+](C[C@@H]2C[C@H]2C)CC1 ZINC000261554757 535458716 /nfs/dbraw/zinc/45/87/16/535458716.db2.gz UMLVXZJWNJPQGS-YPMHNXCESA-N 2 0 210.365 1.964 20 0 BDADRP CC[NH2+]CC1CC[NH+](CCCC(=O)OC)CC1 ZINC000113656311 535458815 /nfs/dbraw/zinc/45/88/15/535458815.db2.gz WVWIEERVIZBXEY-UHFFFAOYSA-N 2 0 242.363 1.261 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@H]2CCSC2)CC1 ZINC000224395405 535473542 /nfs/dbraw/zinc/47/35/42/535473542.db2.gz SXHZJFXQKDIHNQ-LLVKDONJSA-N 2 0 228.405 1.813 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])C1(C)C ZINC000261530555 535512701 /nfs/dbraw/zinc/51/27/01/535512701.db2.gz CQVGNIDIAYOOEC-VPOLOUISSA-N 2 0 214.353 1.515 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)NCC[NH2+]C(C)(C)C ZINC000262712833 535527589 /nfs/dbraw/zinc/52/75/89/535527589.db2.gz SDYHSAXTZHQQTL-GFCCVEGCSA-N 2 0 229.368 1.008 20 0 BDADRP CC[NH+](CC)CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000249794518 535541075 /nfs/dbraw/zinc/54/10/75/535541075.db2.gz ADOQIVYVOHPQBD-KGLIPLIRSA-N 2 0 239.407 1.545 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@@H]1CCC[NH2+]CC1 ZINC000168744801 535590810 /nfs/dbraw/zinc/59/08/10/535590810.db2.gz OAKFUWZVGVNCNQ-QWHCGFSZSA-N 2 0 227.396 1.448 20 0 BDADRP CCOC1CC(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)C1 ZINC000351758332 535754674 /nfs/dbraw/zinc/75/46/74/535754674.db2.gz PCGXEELNJLIFHX-IYXRBSQSSA-N 2 0 240.391 1.685 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000084216625 535831357 /nfs/dbraw/zinc/83/13/57/535831357.db2.gz LUJFIKGVGYHZLN-CHWSQXEVSA-N 3 0 227.396 1.435 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@H]1CCCSC1 ZINC000061589417 535832251 /nfs/dbraw/zinc/83/22/51/535832251.db2.gz OIICJHXGFRPGRE-NSHDSACASA-N 2 0 216.394 1.813 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@H+](CCCCF)C1 ZINC000351758797 535944057 /nfs/dbraw/zinc/94/40/57/535944057.db2.gz QVOVNZYKXQAZAS-NSHDSACASA-N 2 0 202.317 1.620 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000252715845 536091297 /nfs/dbraw/zinc/09/12/97/536091297.db2.gz WVMXBZHBRBYCNX-UPJWGTAASA-N 2 0 228.380 1.325 20 0 BDADRP CC[C@H](CCO)[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000252708654 536098138 /nfs/dbraw/zinc/09/81/38/536098138.db2.gz ASUCNIZRSZTFMQ-UPJWGTAASA-N 2 0 228.380 1.467 20 0 BDADRP C[NH2+][C@@H]1CCCN(c2cc[nH+]c(C)c2)C1 ZINC000229518868 536365984 /nfs/dbraw/zinc/36/59/84/536365984.db2.gz JFKLQWJYEMTUFF-LLVKDONJSA-N 2 0 205.305 1.578 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]2COC[C@H]21 ZINC000367090776 536390342 /nfs/dbraw/zinc/39/03/42/536390342.db2.gz COYYEWGRHGBKEA-MELADBBJSA-N 2 0 238.375 1.582 20 0 BDADRP C[NH2+][C@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000261859271 536401303 /nfs/dbraw/zinc/40/13/03/536401303.db2.gz YENNNXAKOJNSTR-LLVKDONJSA-N 2 0 249.358 1.086 20 0 BDADRP COCCC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000169234716 536591241 /nfs/dbraw/zinc/59/12/41/536591241.db2.gz OWENJGDJNAOHQJ-OLZOCXBDSA-N 2 0 220.316 1.757 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CCc1ccsc1 ZINC000234721742 536595090 /nfs/dbraw/zinc/59/50/90/536595090.db2.gz WPNCGWDLSNQLSA-GFCCVEGCSA-N 2 0 242.388 1.634 20 0 BDADRP CO[C@H]1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261534419 536709228 /nfs/dbraw/zinc/70/92/28/536709228.db2.gz MIRPFMYVLNACPP-NWDGAFQWSA-N 2 0 212.337 1.097 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])C1 ZINC001172930852 974983941 /nfs/dbraw/zinc/98/39/41/974983941.db2.gz JHDTXWZLGUOCJD-NOOOWODRSA-N 2 0 212.337 1.413 20 0 BDADRP C[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)[NH+]1CCCCC1 ZINC000222971080 583179603 /nfs/dbraw/zinc/17/96/03/583179603.db2.gz NBKANAZULQYDFC-MGPQQGTHSA-N 2 0 239.407 1.720 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+][C@@H](C)C[NH2+]C)CCO1 ZINC000853249714 588728918 /nfs/dbraw/zinc/72/89/18/588728918.db2.gz UTDKWYFZFLUKRE-QJPTWQEYSA-N 2 0 214.353 1.389 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCC1SCCS1 ZINC000854231940 588781620 /nfs/dbraw/zinc/78/16/20/588781620.db2.gz POZWICSCLVWWAS-RKDXNWHRSA-N 2 0 232.418 1.652 20 0 BDADRP CCCNC(=[NH2+])NCC1([NH+](C)C)CCCC1 ZINC000112800634 588817305 /nfs/dbraw/zinc/81/73/05/588817305.db2.gz PCOWNPBHDGHPHZ-UHFFFAOYSA-N 2 0 226.368 1.385 20 0 BDADRP C[N@H+](CCOCC[NH3+])[C@@H]1C[C@@H]1c1ccccc1 ZINC000846221349 582653165 /nfs/dbraw/zinc/65/31/65/582653165.db2.gz BZTNIGZXNAUHPD-ZIAGYGMSSA-N 2 0 234.343 1.450 20 0 BDADRP OCc1c[nH+]ccc1NCC[NH+]1CCCCCC1 ZINC000891759660 582717174 /nfs/dbraw/zinc/71/71/74/582717174.db2.gz BMKMMIBCEVXESD-UHFFFAOYSA-N 2 0 249.358 1.284 20 0 BDADRP C[C@@H](C[NH+]1CCCCC1)Nc1cc[nH+]cc1CO ZINC000891793160 582721744 /nfs/dbraw/zinc/72/17/44/582721744.db2.gz MXWROKTYLAEBMB-LBPRGKRZSA-N 2 0 249.358 1.282 20 0 BDADRP C[C@@H]1CCCC[N@@H+]1CCNc1cc[nH+]cc1CO ZINC000891838913 582728721 /nfs/dbraw/zinc/72/87/21/582728721.db2.gz XKRCSENTQSEVLL-GFCCVEGCSA-N 2 0 249.358 1.282 20 0 BDADRP C[C@@H]1OCC[N@H+](CC2CC[NH+](C)CC2)[C@H]1C ZINC000892048173 582773500 /nfs/dbraw/zinc/77/35/00/582773500.db2.gz IAZZORHYRIOUPK-RYUDHWBXSA-N 2 0 226.364 1.437 20 0 BDADRP CC1=CC[N@H+](CC2CC[NH+](C)CC2)CC1 ZINC000892070459 582785363 /nfs/dbraw/zinc/78/53/63/582785363.db2.gz SWBVUPYBXFBPNV-UHFFFAOYSA-N 2 0 208.349 1.980 20 0 BDADRP Cc1cc(N)nc(N[C@H](C)CC[NH+](C)C)[nH+]1 ZINC000892086772 582788140 /nfs/dbraw/zinc/78/81/40/582788140.db2.gz YTCYAENUWKSUCP-MRVPVSSYSA-N 2 0 223.324 1.119 20 0 BDADRP CC(C)[NH2+][C@@H]1CCCN(c2cc[nH+]cc2CO)C1 ZINC000892176545 582805066 /nfs/dbraw/zinc/80/50/66/582805066.db2.gz WGYTZUUARVRDTC-CYBMUJFWSA-N 2 0 249.358 1.541 20 0 BDADRP COc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c(C)c1 ZINC000892253285 582813742 /nfs/dbraw/zinc/81/37/42/582813742.db2.gz ZLRLYHHEOJVZBL-ZIAGYGMSSA-N 2 0 246.354 1.655 20 0 BDADRP CCNC(=[NH2+])NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000849013680 582825875 /nfs/dbraw/zinc/82/58/75/582825875.db2.gz IRJBJBDTBFFRMT-GFCCVEGCSA-N 2 0 240.395 1.488 20 0 BDADRP OCc1c[nH+]ccc1N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000892678681 582951324 /nfs/dbraw/zinc/95/13/24/582951324.db2.gz DJYOJOAPWGMBDB-ZDUSSCGKSA-N 2 0 245.326 1.024 20 0 BDADRP COc1ccc(C[NH2+]CC2CC[NH+](C)CC2)nc1 ZINC000892944374 583014370 /nfs/dbraw/zinc/01/43/70/583014370.db2.gz PZONKHASRQGCDY-UHFFFAOYSA-N 2 0 249.358 1.522 20 0 BDADRP [NH3+][C@]12CCC[C@@H]1CN(C/C=C/Cl)C2 ZINC000857086136 588887126 /nfs/dbraw/zinc/88/71/26/588887126.db2.gz RRSVUIAUKASXRP-VYXGOUPGSA-N 2 0 200.713 1.552 20 0 BDADRP C[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)[C@@H](C)[C@@H](C)O1 ZINC000893888605 583244103 /nfs/dbraw/zinc/24/41/03/583244103.db2.gz KPRGVRGOJDUPGD-FRRDWIJNSA-N 2 0 240.391 1.826 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)CCCCC[NH3+] ZINC000841848827 583363252 /nfs/dbraw/zinc/36/32/52/583363252.db2.gz FNNTXMGQTYDGIF-UHFFFAOYSA-N 2 0 229.368 1.139 20 0 BDADRP Cc1n[nH]c(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1C ZINC000894581919 583488648 /nfs/dbraw/zinc/48/86/48/583488648.db2.gz WOWSIOPHVCAWAN-TXEJJXNPSA-N 2 0 234.347 1.020 20 0 BDADRP C[NH+]1CCC(C[NH2+]C2(CF)CCOCC2)CC1 ZINC000894695583 583509511 /nfs/dbraw/zinc/50/95/11/583509511.db2.gz PKVBTOZNPWWMFQ-UHFFFAOYSA-N 2 0 244.354 1.437 20 0 BDADRP COC[C@@H]1CCCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000894784825 583521469 /nfs/dbraw/zinc/52/14/69/583521469.db2.gz QOOCRTXBWCICCJ-AWEZNQCLSA-N 2 0 240.391 1.829 20 0 BDADRP CC[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@H](O)C(C)C ZINC000894915422 583555239 /nfs/dbraw/zinc/55/52/39/583555239.db2.gz LFRWNFXHKIGCGV-ZIAGYGMSSA-N 2 0 242.407 1.713 20 0 BDADRP C[NH+]1CCC(C[NH2+]CCCC2(O)CCC2)CC1 ZINC000894978897 583563555 /nfs/dbraw/zinc/56/35/55/583563555.db2.gz PRCXRGYGBAIFGI-UHFFFAOYSA-N 2 0 240.391 1.613 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2COCC2(C)C)C1 ZINC000894984789 583564238 /nfs/dbraw/zinc/56/42/38/583564238.db2.gz KNGUDXONAJRRBT-OLZOCXBDSA-N 2 0 240.391 1.733 20 0 BDADRP CC(C)c1nccc(N[C@H]2Cc3cncn3C2)n1 ZINC000894995829 583565885 /nfs/dbraw/zinc/56/58/85/583565885.db2.gz HEPIARIWEPNBPH-JTQLQIEISA-N 2 0 243.314 1.833 20 0 BDADRP CC[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)OC ZINC000895128349 583599969 /nfs/dbraw/zinc/59/99/69/583599969.db2.gz XIQXXIUDIKMWCS-QJPTWQEYSA-N 2 0 242.363 1.258 20 0 BDADRP Cc1ncc(C[N@@H+]2CCCCC[C@H]2CO)n1C ZINC000895151731 583607036 /nfs/dbraw/zinc/60/70/36/583607036.db2.gz WWRHGDDCVBXOLK-LBPRGKRZSA-N 2 0 237.347 1.465 20 0 BDADRP C[NH+](C)[C@@H]1C[C@H](C[NH2+]CC2CC[NH+](C)CC2)C1 ZINC000895209107 583626050 /nfs/dbraw/zinc/62/60/50/583626050.db2.gz QGEUSDOPFJNENA-OKILXGFUSA-N 3 0 239.407 1.258 20 0 BDADRP C[C@H](CC[NH2+]Cc1ccc(=O)[nH]c1)[NH+](C)C ZINC000895292352 583638865 /nfs/dbraw/zinc/63/88/65/583638865.db2.gz PQWKUOKRMSVSBP-SNVBAGLBSA-N 2 0 223.320 1.217 20 0 BDADRP C[C@@H](CC[NH2+]C1CC(n2cccn2)C1)[NH+](C)C ZINC000895293753 583639479 /nfs/dbraw/zinc/63/94/79/583639479.db2.gz PIBPUVJHVCJXCJ-HIFPTAJRSA-N 2 0 236.363 1.516 20 0 BDADRP C[C@H](CC[NH2+][C@@H](C)Cc1cnccn1)[NH+](C)C ZINC000895293823 583639502 /nfs/dbraw/zinc/63/95/02/583639502.db2.gz ROAZHOHNRXDUMA-NWDGAFQWSA-N 2 0 236.363 1.337 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@]23CCC[C@H]2OCC3)CC1 ZINC000895868491 583738447 /nfs/dbraw/zinc/73/84/47/583738447.db2.gz DXCFBWXMLDCPAU-KGLIPLIRSA-N 2 0 238.375 1.629 20 0 BDADRP Fc1cc(CNC2CC[NH+](C3CC3)CC2)ccn1 ZINC000858090314 588931978 /nfs/dbraw/zinc/93/19/78/588931978.db2.gz LTADZGYPAFMQPJ-UHFFFAOYSA-N 2 0 249.333 1.937 20 0 BDADRP [NH3+]CC[C@H]1CCC[N@H+](C/C=C\Cl)C1 ZINC000216613678 583897945 /nfs/dbraw/zinc/89/79/45/583897945.db2.gz JTOHZEBWKOOZBW-XJIUSYNZSA-N 2 0 202.729 1.800 20 0 BDADRP C[C@@H](CC[NH+](C)C)Nc1cc[nH+]c(CO)c1 ZINC000858370353 588949418 /nfs/dbraw/zinc/94/94/18/588949418.db2.gz SGZGZUBEUQDUFC-JTQLQIEISA-N 2 0 223.320 1.326 20 0 BDADRP Clc1ncccc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000841036865 584070361 /nfs/dbraw/zinc/07/03/61/584070361.db2.gz PWKKMHFESURNCV-SNVBAGLBSA-N 2 0 239.750 1.824 20 0 BDADRP CCC[NH+]1CCC([NH2+]CC[C@H](O)C2CC2)CC1 ZINC000898202660 584089295 /nfs/dbraw/zinc/08/92/95/584089295.db2.gz KMMCHBTXHSDWEJ-AWEZNQCLSA-N 2 0 240.391 1.611 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H](O)C2CC2)[C@@H](C)C1 ZINC000898202876 584089881 /nfs/dbraw/zinc/08/98/81/584089881.db2.gz DXZDVCZEMIXIGW-FPMFFAJLSA-N 2 0 240.391 1.467 20 0 BDADRP Cc1ncccc1CC[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000898255282 584101625 /nfs/dbraw/zinc/10/16/25/584101625.db2.gz JOAYRDUBQYODGF-FZMZJTMJSA-N 2 0 233.359 1.472 20 0 BDADRP C[C@H](NC[C@H]1CCC(C)(C)C[NH2+]1)[C@H]1CCC[NH2+]1 ZINC000873236894 584127831 /nfs/dbraw/zinc/12/78/31/584127831.db2.gz KFWCFXBSGOJUTG-YNEHKIRRSA-N 2 0 239.407 1.495 20 0 BDADRP Cc1ncc([C@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)c(C)n1 ZINC000873258248 584128021 /nfs/dbraw/zinc/12/80/21/584128021.db2.gz YWXMNPGZYHGKHK-UWJYBYFXSA-N 2 0 234.347 1.481 20 0 BDADRP C[C@H]([NH2+]CCC[C@H]1CCOC1=O)[C@H]1CCC[NH2+]1 ZINC000873283632 584129067 /nfs/dbraw/zinc/12/90/67/584129067.db2.gz YLWUOYGWBUNJFI-SDDRHHMPSA-N 2 0 240.347 1.060 20 0 BDADRP C[C@@H](CCO)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000858490081 588960326 /nfs/dbraw/zinc/96/03/26/588960326.db2.gz AXOUBGPBPJTZEJ-NWDGAFQWSA-N 2 0 214.353 1.079 20 0 BDADRP CC[N@@H+]1CC[C@H](CNC(=[NH2+])N[C@@H](C)C2CC2)C1 ZINC000899266372 584189754 /nfs/dbraw/zinc/18/97/54/584189754.db2.gz SLADHOODEUWXTK-WDEREUQCSA-N 2 0 238.379 1.241 20 0 BDADRP C[C@@H](NC(=[NH2+])NCC[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC000899267642 584193198 /nfs/dbraw/zinc/19/31/98/584193198.db2.gz RAKJFNDXXCNUQQ-GHMZBOCLSA-N 2 0 238.379 1.241 20 0 BDADRP [NH3+][C@@H]1CCc2cc(C3=CC[NH2+]CC3)ccc2C1 ZINC000899321973 584196507 /nfs/dbraw/zinc/19/65/07/584196507.db2.gz BSVZXSNZUKPBSH-OAHLLOKOSA-N 2 0 228.339 1.879 20 0 BDADRP C[NH+](C)CCCn1cc([C@@H]2CCCC[NH2+]2)nn1 ZINC000899687963 584224791 /nfs/dbraw/zinc/22/47/91/584224791.db2.gz CQTBRXZDRURNBF-NSHDSACASA-N 2 0 237.351 1.044 20 0 BDADRP C[NH+](C)CCCn1cc([C@H]2CCCC[NH2+]2)nn1 ZINC000899687962 584224971 /nfs/dbraw/zinc/22/49/71/584224971.db2.gz CQTBRXZDRURNBF-LLVKDONJSA-N 2 0 237.351 1.044 20 0 BDADRP CC(C)C[C@H]([NH3+])Cc1nc([C@@H]2CCC[NH2+]2)no1 ZINC000900010577 584265282 /nfs/dbraw/zinc/26/52/82/584265282.db2.gz UBVIOGJTEMFDTN-UWVGGRQHSA-N 2 0 238.335 1.410 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CCOC1 ZINC000902321934 584551672 /nfs/dbraw/zinc/55/16/72/584551672.db2.gz ZFNYMNSDBDTNJX-TZMCWYRMSA-N 2 0 240.391 1.781 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902335839 584564279 /nfs/dbraw/zinc/56/42/79/584564279.db2.gz CHJFDVCHYPMLCI-CHWSQXEVSA-N 2 0 242.407 1.763 20 0 BDADRP COC[C@H](C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)OC ZINC000902369861 584566168 /nfs/dbraw/zinc/56/61/68/584566168.db2.gz MOXZNHBDRCLLON-NEPJUHHUSA-N 2 0 244.379 1.016 20 0 BDADRP CCC(O)(CC)C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902358093 584570629 /nfs/dbraw/zinc/57/06/29/584570629.db2.gz AOOXZQRYDKHLCC-LBPRGKRZSA-N 2 0 242.407 1.905 20 0 BDADRP [NH3+][C@@H]1C[C@@H](NCC2([NH3+])CC2)c2ccccc21 ZINC000902405587 584573579 /nfs/dbraw/zinc/57/35/79/584573579.db2.gz JAYCXBFKDLPZPY-VXGBXAGGSA-N 2 0 217.316 1.212 20 0 BDADRP [NH3+]C1(C[NH2+][C@H]2CCCC23CCOCC3)CC1 ZINC000902407228 584574786 /nfs/dbraw/zinc/57/47/86/584574786.db2.gz QHYZCCUWRBZCOJ-NSHDSACASA-N 2 0 224.348 1.417 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H]2CCC[C@H]2O)C1 ZINC000902389666 584580412 /nfs/dbraw/zinc/58/04/12/584580412.db2.gz ZCOZMBVMSUIMSN-RWMBFGLXSA-N 2 0 240.391 1.515 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H](NCC2([NH3+])CCCC2)C1 ZINC000902400825 584586455 /nfs/dbraw/zinc/58/64/55/584586455.db2.gz WALXCPQUPFXQFA-GFCCVEGCSA-N 2 0 239.407 1.626 20 0 BDADRP CCOC[C@@H](C)[NH2+][C@@H]1Cc2ccccc2[C@H]1N ZINC000902439270 584597358 /nfs/dbraw/zinc/59/73/58/584597358.db2.gz QPWFAOWEPIODIW-LERXQTSPSA-N 2 0 234.343 1.626 20 0 BDADRP [NH3+]C1(CN[C@H]2CCc3ccccc32)CC1 ZINC000902414853 584600355 /nfs/dbraw/zinc/60/03/55/584600355.db2.gz DULNOXJBCITGEZ-LBPRGKRZSA-N 2 0 202.301 1.755 20 0 BDADRP NOCCC[NH2+][C@H]1CCN[C@H](c2ccccc2)C1 ZINC000902414993 584600489 /nfs/dbraw/zinc/60/04/89/584600489.db2.gz IVZYNBZPGLAOOU-KBPBESRZSA-N 2 0 249.358 1.350 20 0 BDADRP C[C@@H](NCC1([NH3+])CC1)c1ccc2c(c1)CCO2 ZINC000902414876 584600503 /nfs/dbraw/zinc/60/05/03/584600503.db2.gz FOPLNOPKUJDZEN-SNVBAGLBSA-N 2 0 232.327 1.763 20 0 BDADRP C1C[C@H]2C[C@@H](N[C@@H]3C[C@H]4CC[C@@H]3[NH2+]4)CC[N@@H+]2C1 ZINC000902475288 584601981 /nfs/dbraw/zinc/60/19/81/584601981.db2.gz HRZQXTNTZMTROF-IKOXMDCHSA-N 2 0 235.375 1.096 20 0 BDADRP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@H]1CCCOC1 ZINC000902475382 584602773 /nfs/dbraw/zinc/60/27/73/584602773.db2.gz JXWYRRHPYOPFKK-RXGFPQBGSA-N 2 0 224.348 1.284 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1NC[C@@H]1CCCCC[NH2+]1 ZINC000902478716 584603581 /nfs/dbraw/zinc/60/35/81/584603581.db2.gz WJFGNDUAVFMYBK-RYUDHWBXSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1NC[C@H]1CCCCC[NH2+]1 ZINC000902479450 584604340 /nfs/dbraw/zinc/60/43/40/584604340.db2.gz YAPZHWNFICPAJW-YNEHKIRRSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902447274 584604964 /nfs/dbraw/zinc/60/49/64/584604964.db2.gz XUOPLVYDYIWIKS-QWRGUYRKSA-N 3 0 213.369 1.092 20 0 BDADRP COCCC[C@@H](C)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902450130 584606224 /nfs/dbraw/zinc/60/62/24/584606224.db2.gz RBJBHHNWCMXCGW-MNOVXSKESA-N 2 0 214.353 1.389 20 0 BDADRP CC1(C)C[NH2+]C[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000902450397 584606342 /nfs/dbraw/zinc/60/63/42/584606342.db2.gz RWTPPJJKMYPJLA-UPJWGTAASA-N 2 0 237.391 1.201 20 0 BDADRP C1[C@@H]2[C@H]1[C@@H]1O[C@H]2C[C@H]1[NH2+][C@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000902452146 584607223 /nfs/dbraw/zinc/60/72/23/584607223.db2.gz JGPPGJKQNTXEOB-WJYHJRLWSA-N 2 0 248.370 1.140 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)[C@H]1CCCOC1 ZINC000902451383 584607388 /nfs/dbraw/zinc/60/73/88/584607388.db2.gz XEWKMVRBHCUYPU-SDDRHHMPSA-N 2 0 226.364 1.389 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902451599 584607616 /nfs/dbraw/zinc/60/76/16/584607616.db2.gz GZBSTMPHOLHZAC-WVAOPEQGSA-N 2 0 236.359 1.269 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@H]21)[C@@H]1CCC[NH2+]1 ZINC000902456422 584609909 /nfs/dbraw/zinc/60/99/09/584609909.db2.gz OZEDXLKNYFJKSH-CKIKVBCHSA-N 2 0 208.349 1.905 20 0 BDADRP CC1(C)C[C@@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C[C@@H]([NH3+])C1 ZINC000902459090 584610881 /nfs/dbraw/zinc/61/08/81/584610881.db2.gz BAPVFOIQWVFAOJ-KSSYENDESA-N 2 0 237.391 1.375 20 0 BDADRP CC[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@H]1C[C@H]1C ZINC000902460612 584611288 /nfs/dbraw/zinc/61/12/88/584611288.db2.gz HOCCHWYXSFGUBC-JIMTYQMOSA-N 2 0 208.349 1.904 20 0 BDADRP C1C[NH2+][C@H]([C@@H]2CCC[C@H]2N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000902461996 584611464 /nfs/dbraw/zinc/61/14/64/584611464.db2.gz RYVKVTVASFOMKP-PKCACUDHSA-N 2 0 249.402 1.390 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C[N@@H+]1C1CC1 ZINC000902465013 584613110 /nfs/dbraw/zinc/61/31/10/584613110.db2.gz FPECVYALCYHSLE-CAFXUDQZSA-N 2 0 235.375 1.094 20 0 BDADRP C[C@@H](CC1CCOCC1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902464422 584613167 /nfs/dbraw/zinc/61/31/67/584613167.db2.gz CAYOQHYQISWTAA-SCUASFONSA-N 2 0 238.375 1.674 20 0 BDADRP [NH3+][C@H]1C[C@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c2ccccc21 ZINC000902465680 584614172 /nfs/dbraw/zinc/61/41/72/584614172.db2.gz HWFPTYHXSKXUSG-SZWDSURNSA-N 2 0 243.354 1.614 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@@H]1CCCOC1 ZINC000902466976 584614805 /nfs/dbraw/zinc/61/48/05/584614805.db2.gz JXWYRRHPYOPFKK-OBPIAQAESA-N 2 0 224.348 1.284 20 0 BDADRP C[N@@H+]1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)[C@H]2CCC[C@H]21 ZINC000902469198 584615896 /nfs/dbraw/zinc/61/58/96/584615896.db2.gz YXFWHCNSIRCEOQ-PEZGRIKUSA-N 2 0 249.402 1.342 20 0 BDADRP C[N@@H+]1CC[C@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)[C@H]2CCC[C@H]21 ZINC000902470622 584616827 /nfs/dbraw/zinc/61/68/27/584616827.db2.gz YXFWHCNSIRCEOQ-XWSJDDSLSA-N 2 0 249.402 1.342 20 0 BDADRP C1CC1[C@H]1CC[C@@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902470258 584616932 /nfs/dbraw/zinc/61/69/32/584616932.db2.gz VNFWWUHNTLXKQT-OBPIAQAESA-N 2 0 206.333 1.658 20 0 BDADRP CC1(C)[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000902490114 584617282 /nfs/dbraw/zinc/61/72/82/584617282.db2.gz SGZASPIEEIVEBZ-KVSVUVNWSA-N 3 0 237.391 1.090 20 0 BDADRP CC1(C)[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000902490115 584617682 /nfs/dbraw/zinc/61/76/82/584617682.db2.gz SGZASPIEEIVEBZ-NJMOYASZSA-N 3 0 237.391 1.090 20 0 BDADRP C[C@@H]1C[C@H](NC[C@H]2CCCCC[NH2+]2)CC[N@@H+]1C ZINC000902481205 584623004 /nfs/dbraw/zinc/62/30/04/584623004.db2.gz BGTCMQOQECQYLX-MGPQQGTHSA-N 2 0 239.407 1.591 20 0 BDADRP Cc1ncccc1CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000902511464 584623105 /nfs/dbraw/zinc/62/31/05/584623105.db2.gz FBOQVZRVOSZRCJ-KGLIPLIRSA-N 2 0 233.359 1.792 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1NC[C@H]1CCCCC[NH2+]1 ZINC000902484206 584624584 /nfs/dbraw/zinc/62/45/84/584624584.db2.gz UPMUIAACJYQEQQ-MCIONIFRSA-N 2 0 239.407 1.768 20 0 BDADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H]2CCCc3occc32)C1 ZINC000902485731 584625268 /nfs/dbraw/zinc/62/52/68/584625268.db2.gz NETUJRUJILEMQN-NHCYSSNCSA-N 2 0 220.316 1.984 20 0 BDADRP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)C1CCOCC1 ZINC000902485596 584625330 /nfs/dbraw/zinc/62/53/30/584625330.db2.gz BGBVADLAXJVVRO-NHCYSSNCSA-N 2 0 212.337 1.128 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C12CCC2 ZINC000902486132 584625521 /nfs/dbraw/zinc/62/55/21/584625521.db2.gz PWSZBQUFRADMMT-CYDGBPFRSA-N 2 0 238.375 1.661 20 0 BDADRP Cc1ncc([C@@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)s1 ZINC000902487690 584626563 /nfs/dbraw/zinc/62/65/63/584626563.db2.gz LSYRSLGSWLSFRR-SZEHBUNVSA-N 2 0 225.361 1.839 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)[C@@H]2CCC[C@H]21 ZINC000902488669 584627556 /nfs/dbraw/zinc/62/75/56/584627556.db2.gz ZOAFSPGCDKGIIC-HTVCTNPSSA-N 3 0 237.391 1.186 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)[C@H]2CCC[C@@H]21 ZINC000902488671 584627576 /nfs/dbraw/zinc/62/75/76/584627576.db2.gz ZOAFSPGCDKGIIC-POQQGIQPSA-N 3 0 237.391 1.186 20 0 BDADRP CC(C)C[C@@H](C[NH+](C)C)N[C@H](C)C[C@@H](C)[NH3+] ZINC000902514001 584629269 /nfs/dbraw/zinc/62/92/69/584629269.db2.gz KDHPJLXWYLMSIG-UPJWGTAASA-N 2 0 229.412 1.678 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000902516551 584630059 /nfs/dbraw/zinc/63/00/59/584630059.db2.gz DJPZKDFVJSWXPW-DMTCVQMQSA-N 2 0 234.343 1.360 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C/C=C\Cl ZINC000902516744 584630195 /nfs/dbraw/zinc/63/01/95/584630195.db2.gz FSJSJOLRBCMPGW-RYOAZKDMSA-N 2 0 218.728 1.081 20 0 BDADRP C[C@H](C[NH2+][C@H]1CCOC12CCCC2)C[NH+](C)C ZINC000903174726 584732773 /nfs/dbraw/zinc/73/27/73/584732773.db2.gz NBNIGLWPDBGMPS-OLZOCXBDSA-N 2 0 240.391 1.875 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN2C)[C@@H](C)C1 ZINC000903321605 584747078 /nfs/dbraw/zinc/74/70/78/584747078.db2.gz AXOQWOHIYNEDNS-AVGNSLFASA-N 2 0 225.380 1.010 20 0 BDADRP CN1CC[C@@H]1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000903316719 584750047 /nfs/dbraw/zinc/75/00/47/584750047.db2.gz QNMNUVMJQCSPDP-NWDGAFQWSA-N 2 0 225.380 1.153 20 0 BDADRP C[C@@H]1OC[C@@H]([NH2+]CCN2CCC(C)(C)C2)[C@@H]1C ZINC000903346031 584753031 /nfs/dbraw/zinc/75/30/31/584753031.db2.gz ZQJRZWGBDLQHKU-FRRDWIJNSA-N 2 0 240.391 1.731 20 0 BDADRP C[N@@H+](Cc1cccc(O)c1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903431021 584761773 /nfs/dbraw/zinc/76/17/73/584761773.db2.gz DABMGAWOZBWRDK-OLZOCXBDSA-N 2 0 234.343 1.951 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903420541 584763602 /nfs/dbraw/zinc/76/36/02/584763602.db2.gz BTTLEPUYGIBDIJ-AGIUHOORSA-N 3 0 225.380 1.045 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCCCN1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903422095 584763899 /nfs/dbraw/zinc/76/38/99/584763899.db2.gz VWWMURGMUOZBDK-VOAKCMCISA-N 2 0 225.380 1.044 20 0 BDADRP C[C@@H]1C[C@@H](C)[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H]1C[NH3+] ZINC000903459196 584765842 /nfs/dbraw/zinc/76/58/42/584765842.db2.gz DQYZNSIPRHGITP-KSTCHIGDSA-N 3 0 239.407 1.419 20 0 BDADRP CC[C@@H]1C[C@H]1C[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000903464941 584767159 /nfs/dbraw/zinc/76/71/59/584767159.db2.gz ZWKZIOGTECERQO-VOAKCMCISA-N 2 0 208.349 1.846 20 0 BDADRP C[C@H](c1ncccn1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000903447118 584770616 /nfs/dbraw/zinc/77/06/16/584770616.db2.gz FTSVTNDBOPPJSO-GFCCVEGCSA-N 2 0 246.358 1.613 20 0 BDADRP C[NH2+]CCC1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903447514 584770817 /nfs/dbraw/zinc/77/08/17/584770817.db2.gz VYOLTQYPUYCFQJ-KGLIPLIRSA-N 3 0 239.407 1.435 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN(CC[NH3+])Cc1ccccc1 ZINC000903448280 584771196 /nfs/dbraw/zinc/77/11/96/584771196.db2.gz BVEAYZMNCTXDJN-HIFRSBDPSA-N 2 0 247.386 1.303 20 0 BDADRP COC(=O)[C@H]1CCCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903454870 584773480 /nfs/dbraw/zinc/77/34/80/584773480.db2.gz LZFXCRHWDOYZDN-GRYCIOLGSA-N 2 0 240.347 1.141 20 0 BDADRP COC[C@@H](C[NH2+][C@@H]1CC[NH2+]CC1(C)C)C(C)C ZINC000903455512 584774250 /nfs/dbraw/zinc/77/42/50/584774250.db2.gz XZALMHZTHDAJTJ-CHWSQXEVSA-N 2 0 242.407 1.883 20 0 BDADRP COC[C@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)C(C)C ZINC000903470427 584774918 /nfs/dbraw/zinc/77/49/18/584774918.db2.gz BLWUGEBKONUVCG-STQMWFEESA-N 2 0 240.391 1.779 20 0 BDADRP C=C/C=C\CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903470995 584775368 /nfs/dbraw/zinc/77/53/68/584775368.db2.gz GDAMBFUJTIKWEP-MVZIDQBPSA-N 2 0 206.333 1.993 20 0 BDADRP C(C[C@@H]1CCC[NH2+]C1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903471864 584775392 /nfs/dbraw/zinc/77/53/92/584775392.db2.gz VDYKPXCIRLTZDK-QWHCGFSZSA-N 3 0 237.391 1.250 20 0 BDADRP COC[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)C(C)C ZINC000903482590 584778790 /nfs/dbraw/zinc/77/87/90/584778790.db2.gz LVQKGBYORNJOGJ-TUAOUCFPSA-N 2 0 228.380 1.620 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000903482181 584778818 /nfs/dbraw/zinc/77/88/18/584778818.db2.gz YWZCJLYQKJDMLM-MQYQWHSLSA-N 2 0 238.375 1.343 20 0 BDADRP C(C[C@H]1CCCO1)[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903484424 584779266 /nfs/dbraw/zinc/77/92/66/584779266.db2.gz QYZHYECSVVYCTC-CHWSQXEVSA-N 2 0 238.375 1.820 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2C[C@]23CCOC3)C[C@H]1CC[NH3+] ZINC000903499330 584779957 /nfs/dbraw/zinc/77/99/57/584779957.db2.gz RGMYHWLZVJEYLH-SYQHCUMBSA-N 2 0 238.375 1.330 20 0 BDADRP CC(C)(C)OC[C@H]1CCC[N@@H+]1CCC[NH3+] ZINC000903563410 584782448 /nfs/dbraw/zinc/78/24/48/584782448.db2.gz BOJHZLOSXMIYGW-LLVKDONJSA-N 2 0 214.353 1.615 20 0 BDADRP Cn1ccc(C2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)n1 ZINC000903564063 584782526 /nfs/dbraw/zinc/78/25/26/584782526.db2.gz OYSXAJCXOKQNHP-GFCCVEGCSA-N 2 0 248.374 1.209 20 0 BDADRP CN(CCN1C[C@@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000903558157 584783044 /nfs/dbraw/zinc/78/30/44/584783044.db2.gz ITRIAJQMDBAKSR-CQSZACIVSA-N 2 0 247.386 1.792 20 0 BDADRP C[NH2+]CCN(C[C@@H]1CC[C@H]([NH3+])C1)C(C)C ZINC000903575248 584784183 /nfs/dbraw/zinc/78/41/83/584784183.db2.gz KNPRGBDNEVCIJL-NEPJUHHUSA-N 2 0 213.369 1.044 20 0 BDADRP CC(C)[C@H]([NH3+])CCN(C)C[C@H]1CCCC[NH2+]C1 ZINC000903717159 584792376 /nfs/dbraw/zinc/79/23/76/584792376.db2.gz IDEPSATZMCOYEG-UONOGXRCSA-N 2 0 241.423 1.681 20 0 BDADRP C[C@@H]1CCC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903730644 584792930 /nfs/dbraw/zinc/79/29/30/584792930.db2.gz YFSJDLDJZAHMKL-OLZOCXBDSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@@H](O)CC[N@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000903730439 584793014 /nfs/dbraw/zinc/79/30/14/584793014.db2.gz WHFFVTWEJIZAGE-NEPJUHHUSA-N 2 0 214.353 1.079 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2cnn(CCF)c2)CC1 ZINC000903713249 584793316 /nfs/dbraw/zinc/79/33/16/584793316.db2.gz JTAIVWMAZRYFKV-UHFFFAOYSA-N 2 0 240.326 1.023 20 0 BDADRP [NH3+]C[C@@H]1CCCN(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903712854 584793465 /nfs/dbraw/zinc/79/34/65/584793465.db2.gz AHWURRCVQUOMIB-QWHCGFSZSA-N 2 0 225.380 1.047 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCCN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000903715873 584794250 /nfs/dbraw/zinc/79/42/50/584794250.db2.gz BBDQNLABSKWBAP-MELADBBJSA-N 2 0 239.407 1.435 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903747249 584795082 /nfs/dbraw/zinc/79/50/82/584795082.db2.gz QMBULJLJDSDCRQ-UONOGXRCSA-N 3 0 239.407 1.437 20 0 BDADRP C[C@@H]1CN(C[C@@H]2CCCC[NH2+]C2)[C@H](C)C[NH2+]1 ZINC000903752390 584795321 /nfs/dbraw/zinc/79/53/21/584795321.db2.gz SDNNSOLDAUKXLL-JHJVBQTASA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H]1CC[C@H](C)[N@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903734382 584796182 /nfs/dbraw/zinc/79/61/82/584796182.db2.gz YSLOXZXBSJIHPV-RFQIPJPRSA-N 2 0 238.375 1.628 20 0 BDADRP C[N@H+](C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)C(C)(C)C ZINC000903763452 584797012 /nfs/dbraw/zinc/79/70/12/584797012.db2.gz KAHQFSZNWMAPRL-DGCLKSJQSA-N 2 0 226.364 1.485 20 0 BDADRP CN(C[C@H]1CCCC[NH2+]C1)CC(C)(C)[NH3+] ZINC000903768757 584798216 /nfs/dbraw/zinc/79/82/16/584798216.db2.gz QERRYYBCOQDSLE-NSHDSACASA-N 2 0 213.369 1.045 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]C1)[C@H]1CCCOC1 ZINC000903758515 584798590 /nfs/dbraw/zinc/79/85/90/584798590.db2.gz LQRIMCNUZKDSER-IHRRRGAJSA-N 2 0 240.391 1.781 20 0 BDADRP CC(=O)C1CC[NH+](C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903780883 584799745 /nfs/dbraw/zinc/79/97/45/584799745.db2.gz NAHCBHBUKHINLK-ZDUSSCGKSA-N 2 0 238.375 1.677 20 0 BDADRP C[N@H+](CCCF)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903784225 584800220 /nfs/dbraw/zinc/80/02/20/584800220.db2.gz LXUXCRAZVARDHB-RYUDHWBXSA-N 2 0 230.327 1.046 20 0 BDADRP C(C1CCC1)[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903815702 584800989 /nfs/dbraw/zinc/80/09/89/584800989.db2.gz QARUPPQYWVYETP-UHFFFAOYSA-N 2 0 238.375 1.631 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903805031 584803049 /nfs/dbraw/zinc/80/30/49/584803049.db2.gz LESJDKJHNXMTIX-RQJABVFESA-N 2 0 237.391 1.045 20 0 BDADRP C[NH2+]CCCN1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903812188 584803334 /nfs/dbraw/zinc/80/33/34/584803334.db2.gz RRPPEEMHNHZUGE-ZDUSSCGKSA-N 2 0 239.407 1.579 20 0 BDADRP C[C@]12C[N@H+](CCC[NH3+])C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000903826317 584805074 /nfs/dbraw/zinc/80/50/74/584805074.db2.gz IBJAJNMXKLDIMA-QNWHQSFQSA-N 2 0 206.333 1.479 20 0 BDADRP C[C@@H]1CCOCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000903831643 584805951 /nfs/dbraw/zinc/80/59/51/584805951.db2.gz LTDIPFAPBOJFLN-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@H]1CCOCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000903831913 584806164 /nfs/dbraw/zinc/80/61/64/584806164.db2.gz NQZKZBXFYYKXME-ZDUSSCGKSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@H]1CCOCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000903831645 584806253 /nfs/dbraw/zinc/80/62/53/584806253.db2.gz LTDIPFAPBOJFLN-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H]1CC=CC[C@H]1[NH2+]C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000903850174 584808325 /nfs/dbraw/zinc/80/83/25/584808325.db2.gz LNHXSKAFDOEEDD-JHJVBQTASA-N 2 0 236.359 1.452 20 0 BDADRP [NH3+]C[C@]12CC[C@@H]1CCN2Cc1cccnc1 ZINC000903855629 584809462 /nfs/dbraw/zinc/80/94/62/584809462.db2.gz OAFCFNRAANCDJG-CHWSQXEVSA-N 2 0 217.316 1.395 20 0 BDADRP C[C@]12CSC[C@H]1C[N@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000903871538 584815385 /nfs/dbraw/zinc/81/53/85/584815385.db2.gz RMEIEHNAPPTCRO-XQQFMLRXSA-N 2 0 240.416 1.671 20 0 BDADRP [NH3+][C@H](CC(F)F)CN(C1CC1)C1CC[NH2+]CC1 ZINC000903874083 584815833 /nfs/dbraw/zinc/81/58/33/584815833.db2.gz RXNARNCLPJHPRT-SECBINFHSA-N 2 0 247.333 1.185 20 0 BDADRP C[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)N1 ZINC000903873700 584815854 /nfs/dbraw/zinc/81/58/54/584815854.db2.gz KVEGDHRICJEFFB-LSPKCERGSA-N 2 0 237.391 1.199 20 0 BDADRP CC1(C)CNCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903873473 584816122 /nfs/dbraw/zinc/81/61/22/584816122.db2.gz ILHODMQVNDQPHD-YHWZYXNKSA-N 2 0 237.391 1.201 20 0 BDADRP C[C@@H]([NH3+])C1CCN(C[C@H]([NH3+])CC(F)F)CC1 ZINC000903874134 584816198 /nfs/dbraw/zinc/81/61/98/584816198.db2.gz SWCWLPMVQPYXND-PSASIEDQSA-N 2 0 235.322 1.028 20 0 BDADRP C[C@@]1(C2CC2)COCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000903881619 584817664 /nfs/dbraw/zinc/81/76/64/584817664.db2.gz HWFLEHIOVUJSLV-OCCSQVGLSA-N 2 0 238.375 1.487 20 0 BDADRP OCC1([NH2+]Cc2cccc3c2CC[NH2+]C3)CCC1 ZINC000903902457 584820990 /nfs/dbraw/zinc/82/09/90/584820990.db2.gz GWGPJNRFYFMQMH-UHFFFAOYSA-N 2 0 246.354 1.337 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903905733 584821010 /nfs/dbraw/zinc/82/10/10/584821010.db2.gz MRVYTMKKOJVUPX-WTUNAVPPSA-N 3 0 237.391 1.188 20 0 BDADRP C[C@@]1(C[NH3+])CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903905732 584821046 /nfs/dbraw/zinc/82/10/46/584821046.db2.gz MRVYTMKKOJVUPX-GSPSYOTPSA-N 3 0 237.391 1.188 20 0 BDADRP [NH3+]CC[C@@H]1CCCN(C[C@@H]([NH3+])CC(F)F)C1 ZINC000903905374 584821322 /nfs/dbraw/zinc/82/13/22/584821322.db2.gz DDSLUXZEOVSUTI-UWVGGRQHSA-N 2 0 235.322 1.030 20 0 BDADRP CC(C)(C)[C@@H](CN)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918732 584822843 /nfs/dbraw/zinc/82/28/43/584822843.db2.gz GPYJQCMPEZWUBD-PSEXLTFBSA-N 2 0 239.407 1.480 20 0 BDADRP CC(C)([NH3+])CC[NH2+]Cc1ccc(Cl)nc1 ZINC000903939190 584823598 /nfs/dbraw/zinc/82/35/98/584823598.db2.gz UEXOFXPKXJQFNK-UHFFFAOYSA-N 2 0 227.739 1.952 20 0 BDADRP Cc1ccc(O)c(C[NH2+]CCC(C)(C)[NH3+])n1 ZINC000903938694 584826598 /nfs/dbraw/zinc/82/65/98/584826598.db2.gz HMXIUEYNDWGYON-UHFFFAOYSA-N 2 0 223.320 1.313 20 0 BDADRP c1cc(CNC[C@@H]2CCC[NH2+]2)c2c(c1)C[NH2+]CC2 ZINC000903918265 584826774 /nfs/dbraw/zinc/82/67/74/584826774.db2.gz VYRKTPVEUHNKIZ-AWEZNQCLSA-N 2 0 245.370 1.174 20 0 BDADRP Nc1ccnc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000903954361 584832061 /nfs/dbraw/zinc/83/20/61/584832061.db2.gz ROXLWJMSTJWCEM-DMDPSCGWSA-N 2 0 246.358 1.142 20 0 BDADRP Nc1ccnc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000903954364 584832106 /nfs/dbraw/zinc/83/21/06/584832106.db2.gz ROXLWJMSTJWCEM-NTZNESFSSA-N 2 0 246.358 1.142 20 0 BDADRP Cc1ncccc1C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903974205 584832468 /nfs/dbraw/zinc/83/24/68/584832468.db2.gz LVKQTLURBABNQW-DGCLKSJQSA-N 2 0 233.359 1.725 20 0 BDADRP CCOC[C@@H](C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903973915 584832716 /nfs/dbraw/zinc/83/27/16/584832716.db2.gz IWJWCFWWBGACNB-IJLUTSLNSA-N 2 0 214.353 1.247 20 0 BDADRP Cc1noc(C)c1C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903973532 584832737 /nfs/dbraw/zinc/83/27/37/584832737.db2.gz FVZGGPGYUIIEIK-BXKDBHETSA-N 2 0 237.347 1.627 20 0 BDADRP COC1(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)CCCC1 ZINC000903979068 584833050 /nfs/dbraw/zinc/83/30/50/584833050.db2.gz UQYIRGJRJNVUDM-CHWSQXEVSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc2c1NCC2 ZINC000903967991 584834898 /nfs/dbraw/zinc/83/48/98/584834898.db2.gz OJFLSGBDAIQJQA-RISCZKNCSA-N 2 0 245.370 1.600 20 0 BDADRP CC(C)[NH+]1CCC(NC[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903968308 584835242 /nfs/dbraw/zinc/83/52/42/584835242.db2.gz SBZQLSIWVCPPGH-OLZOCXBDSA-N 2 0 239.407 1.304 20 0 BDADRP C[NH2+][C@@H]1CCN(C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC000904297214 584860328 /nfs/dbraw/zinc/86/03/28/584860328.db2.gz IWUQPNVYGFPFBZ-NWDGAFQWSA-N 2 0 227.396 1.434 20 0 BDADRP C[C@@H]1CN(C[C@@]2(C)CCC[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC000904299623 584860599 /nfs/dbraw/zinc/86/05/99/584860599.db2.gz JWSLAOPQVNVLQC-UPJWGTAASA-N 2 0 225.380 1.058 20 0 BDADRP CCC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CC[NH2+]CC1 ZINC000904299555 584860621 /nfs/dbraw/zinc/86/06/21/584860621.db2.gz HSFJALUZKCSVSR-TXEJJXNPSA-N 3 0 225.380 1.188 20 0 BDADRP C[NH2+][C@@H]1CCCN(C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904299768 584860727 /nfs/dbraw/zinc/86/07/27/584860727.db2.gz OBVPUSYRNKSQTB-CHWSQXEVSA-N 2 0 225.380 1.060 20 0 BDADRP C[NH2+]C1CCN(C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904300033 584860820 /nfs/dbraw/zinc/86/08/20/584860820.db2.gz UPKUCBLSVLYITG-CYBMUJFWSA-N 2 0 225.380 1.060 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CN1CC[C@H](C[NH3+])C1 ZINC000904300073 584860854 /nfs/dbraw/zinc/86/08/54/584860854.db2.gz VFTDNPRTEAQJMH-VXGBXAGGSA-N 2 0 227.396 1.421 20 0 BDADRP C[C@@H]1CN(C[C@@H]([NH3+])CCC(C)(C)C)C[C@H](C)[NH2+]1 ZINC000904299848 584860931 /nfs/dbraw/zinc/86/09/31/584860931.db2.gz PRVQSHAJGWNCTA-XQQFMLRXSA-N 2 0 241.423 1.822 20 0 BDADRP C[N@H+](C[C@@]1(C)CCC[NH2+]C1)C1CCC([NH3+])CC1 ZINC000904301492 584861102 /nfs/dbraw/zinc/86/11/02/584861102.db2.gz MDNBSKPOSRTSAT-RUXDESIVSA-N 3 0 239.407 1.578 20 0 BDADRP C[N@H+](C[C@]1(C)CCC[NH2+]C1)C1CCC([NH3+])CC1 ZINC000904301491 584861611 /nfs/dbraw/zinc/86/16/11/584861611.db2.gz MDNBSKPOSRTSAT-JXQTWKCFSA-N 3 0 239.407 1.578 20 0 BDADRP C[C@H](C1CC1)[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000904310303 584862564 /nfs/dbraw/zinc/86/25/64/584862564.db2.gz ZPYNWJDAAZZEIM-FOGDFJRCSA-N 2 0 208.349 1.987 20 0 BDADRP COC(=O)[C@H](C)C[N@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904311819 584862622 /nfs/dbraw/zinc/86/26/22/584862622.db2.gz HTQVNNHHQXBCQO-YPMHNXCESA-N 2 0 242.363 1.117 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)C1 ZINC000904312741 584863639 /nfs/dbraw/zinc/86/36/39/584863639.db2.gz SBJCRTATKYRLOT-UTUOFQBUSA-N 2 0 234.347 1.326 20 0 BDADRP CCC1(CO)CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904323130 584864616 /nfs/dbraw/zinc/86/46/16/584864616.db2.gz NAYIQXVJHZRBLW-TXEJJXNPSA-N 2 0 226.364 1.208 20 0 BDADRP COC(=O)C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CCCC1 ZINC000904325284 584865192 /nfs/dbraw/zinc/86/51/92/584865192.db2.gz VAWJLSYBPLWCOS-PHIMTYICSA-N 2 0 240.347 1.141 20 0 BDADRP C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H](CO)C(C)(C)C ZINC000904327019 584865564 /nfs/dbraw/zinc/86/55/64/584865564.db2.gz XCXPCCNXXKBYAZ-AXFHLTTASA-N 2 0 214.353 1.063 20 0 BDADRP Cc1ccc(C[N@H+](CCO)C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000904332905 584866138 /nfs/dbraw/zinc/86/61/38/584866138.db2.gz TWCOKOHHZAMHTR-GASCZTMLSA-N 2 0 248.370 1.527 20 0 BDADRP C[N@H+](C[C@@H]1CCC[C@H]1O)C[C@@]1(C)CCC[NH2+]C1 ZINC000904329509 584866163 /nfs/dbraw/zinc/86/61/63/584866163.db2.gz ZVRCOBFAWGCDIL-MJBXVCDLSA-N 2 0 240.391 1.469 20 0 BDADRP C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C[C@H]1CCCC[C@@H]1O ZINC000904328563 584866249 /nfs/dbraw/zinc/86/62/49/584866249.db2.gz GXHDIDZPQFNPIG-NDBYEHHHSA-N 2 0 226.364 1.207 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC(CCCO)CC2)C1 ZINC000904340129 584866582 /nfs/dbraw/zinc/86/65/82/584866582.db2.gz DJPJGRSYXFNEKO-BETUJISGSA-N 2 0 226.364 1.208 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@H](Cc3ccncc3)C2)C1 ZINC000904341232 584867311 /nfs/dbraw/zinc/86/73/11/584867311.db2.gz LKQPDLUGQQMFBZ-KFWWJZLASA-N 2 0 245.370 1.683 20 0 BDADRP [NH3+]Cc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000904351010 584869327 /nfs/dbraw/zinc/86/93/27/584869327.db2.gz UAJORCTWLQDFQW-HNNXBMFYSA-N 3 0 245.370 1.331 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)C1 ZINC000904350857 584869612 /nfs/dbraw/zinc/86/96/12/584869612.db2.gz QVVIASNYPGFRTC-FPMFFAJLSA-N 3 0 237.391 1.045 20 0 BDADRP [NH3+]Cc1ccc(NC[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000904354990 584870855 /nfs/dbraw/zinc/87/08/55/584870855.db2.gz JELVGQJFYAVADS-PHIMTYICSA-N 2 0 205.305 1.295 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CC23CC[NH2+]CC3)CCC[NH2+]C1 ZINC000904355413 584870961 /nfs/dbraw/zinc/87/09/61/584870961.db2.gz RGUDYMUMFXCAMB-OLZOCXBDSA-N 3 0 237.391 1.108 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CN[C@H]1CCC[NH2+]CC1 ZINC000904356324 584871248 /nfs/dbraw/zinc/87/12/48/584871248.db2.gz VUGTWRJAQZOOPC-OLZOCXBDSA-N 2 0 241.423 1.872 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+]Cc2ccc(CO)c(F)c2)C1 ZINC000904360223 584871613 /nfs/dbraw/zinc/87/16/13/584871613.db2.gz JQHOJCQWHFFGSY-KLPPZKSPSA-N 2 0 238.306 1.145 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CN[C@@H]1CC[NH2+]C1(C)C ZINC000904358766 584872437 /nfs/dbraw/zinc/87/24/37/584872437.db2.gz SNPNKARAAFDCSL-NWDGAFQWSA-N 2 0 241.423 1.870 20 0 BDADRP C[C@@H]([NH2+]C1CCN(CC[NH3+])CC1)c1ccccn1 ZINC000904367497 584872635 /nfs/dbraw/zinc/87/26/35/584872635.db2.gz CYCQIXUINQZWMI-GFCCVEGCSA-N 2 0 248.374 1.155 20 0 BDADRP CCC(C)(C)C[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904368107 584872896 /nfs/dbraw/zinc/87/28/96/584872896.db2.gz IAKPRTKIIYWULI-UHFFFAOYSA-N 2 0 227.396 1.435 20 0 BDADRP C[C@@H]1CCN(C[C@@]2(C)CCC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000904371071 584873029 /nfs/dbraw/zinc/87/30/29/584873029.db2.gz IMTOJDCYYAUWQC-RDBSUJKOSA-N 2 0 239.407 1.293 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NC[C@@H]([NH3+])CCC(C)(C)C ZINC000904373880 584873605 /nfs/dbraw/zinc/87/36/05/584873605.db2.gz LAYNMIZTYOHNCD-TUAOUCFPSA-N 2 0 229.412 1.855 20 0 BDADRP C[C@]1(CN2CC[C@]3(CCC[NH2+]3)C2)CCC[NH2+]C1 ZINC000904373986 584874008 /nfs/dbraw/zinc/87/40/08/584874008.db2.gz XALXBOQQPNNFKV-UONOGXRCSA-N 2 0 237.391 1.204 20 0 BDADRP CCC(CC)[C@@H](O)C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000904363702 584874256 /nfs/dbraw/zinc/87/42/56/584874256.db2.gz MFTCJBJRPNMNBV-UONOGXRCSA-N 2 0 242.407 1.763 20 0 BDADRP [NH3+]CC1CC([NH2+]CCc2cccs2)C1 ZINC000904363919 584874429 /nfs/dbraw/zinc/87/44/29/584874429.db2.gz FTNLOPDLHMBWNI-UHFFFAOYSA-N 2 0 210.346 1.618 20 0 BDADRP C[C@H]1CCCC[C@@H]1[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904363000 584874567 /nfs/dbraw/zinc/87/45/67/584874567.db2.gz VWWFGAHNINRYLA-JSGCOSHPSA-N 2 0 239.407 1.578 20 0 BDADRP COC[C@H](CC(C)(C)C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904375657 584875404 /nfs/dbraw/zinc/87/54/04/584875404.db2.gz DWIAWXQIOCIGRW-TUAOUCFPSA-N 2 0 228.380 1.765 20 0 BDADRP C[C@@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H]1CC[NH3+] ZINC000904376246 584875819 /nfs/dbraw/zinc/87/58/19/584875819.db2.gz NHKARBJZXCDIEV-FVCCEPFGSA-N 3 0 225.380 1.173 20 0 BDADRP CCC(C)(C)[NH+]1CCN(C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904376441 584876001 /nfs/dbraw/zinc/87/60/01/584876001.db2.gz SEJIKQJHFPHZSL-BETUJISGSA-N 2 0 239.407 1.530 20 0 BDADRP C[C@H]1CC[C@H](NCc2ccc(C[NH3+])cc2)C[NH2+]1 ZINC000904381153 584876709 /nfs/dbraw/zinc/87/67/09/584876709.db2.gz KXMJTJNLTMMHKR-FZMZJTMJSA-N 2 0 233.359 1.375 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1NC[C@]1(C)CCC[NH2+]C1 ZINC000904379879 584876716 /nfs/dbraw/zinc/87/67/16/584876716.db2.gz DQQXFOHJUXDVIM-YNEHKIRRSA-N 2 0 225.380 1.106 20 0 BDADRP C[C@H]([NH3+])CN(C)C[C@@H]([NH3+])CCC(C)(C)C ZINC000904380835 584876827 /nfs/dbraw/zinc/87/68/27/584876827.db2.gz HWRGIFCEVOPSKJ-QWRGUYRKSA-N 2 0 215.385 1.419 20 0 BDADRP CCN(CC[NH3+])C[C@@H]([NH3+])CCC(C)(C)C ZINC000904379888 584876857 /nfs/dbraw/zinc/87/68/57/584876857.db2.gz DSURQUFBIGSATJ-NSHDSACASA-N 2 0 215.385 1.421 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+]C2([C@H]3CCCCO3)CCC2)C1 ZINC000904384008 584877462 /nfs/dbraw/zinc/87/74/62/584877462.db2.gz GEGFGKAUMAAJTC-FRRDWIJNSA-N 2 0 238.375 1.805 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CN1C[C@@H]([NH3+])C(C)(C)C1 ZINC000904388071 584877661 /nfs/dbraw/zinc/87/76/61/584877661.db2.gz BBSSSHYNKTZLHL-NWDGAFQWSA-N 2 0 241.423 1.809 20 0 BDADRP CC(C)([NH3+])CC[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904386123 584877931 /nfs/dbraw/zinc/87/79/31/584877931.db2.gz PLGSDXGWTBFHDA-UHFFFAOYSA-N 3 0 221.348 1.362 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)C1 ZINC000904385731 584877963 /nfs/dbraw/zinc/87/79/63/584877963.db2.gz DDWCTMILXOUKKS-FVCCEPFGSA-N 2 0 224.348 1.225 20 0 BDADRP CCC1([NH3+])CC[NH+](Cc2ccc(C[NH3+])cc2)CC1 ZINC000904385633 584878080 /nfs/dbraw/zinc/87/80/80/584878080.db2.gz AOHNGPQZVBLQAR-UHFFFAOYSA-N 3 0 247.386 1.849 20 0 BDADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904385484 584878140 /nfs/dbraw/zinc/87/81/40/584878140.db2.gz ZDPHAKPJPNITJW-SCRDCRAPSA-N 3 0 239.407 1.421 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904406272 584878353 /nfs/dbraw/zinc/87/83/53/584878353.db2.gz DRSJHKIMPNWPNL-CHWSQXEVSA-N 3 0 241.423 1.811 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](Cc2cccc3c2NCC3)C1 ZINC000904405635 584878399 /nfs/dbraw/zinc/87/83/99/584878399.db2.gz LTGPCACHEQHMFT-LBPRGKRZSA-N 2 0 245.370 1.825 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cnc(N)s2)CC[C@H]1C[NH3+] ZINC000904410285 584878907 /nfs/dbraw/zinc/87/89/07/584878907.db2.gz OACHMORCFNDFGG-BDAKNGLRSA-N 2 0 240.376 1.142 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cccc(O)c2)CC[C@@H]1C[NH3+] ZINC000904410095 584878980 /nfs/dbraw/zinc/87/89/80/584878980.db2.gz AJUSPKUIMTYGGN-DGCLKSJQSA-N 2 0 234.343 1.809 20 0 BDADRP CC(=O)CC[N@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000815146204 584973276 /nfs/dbraw/zinc/97/32/76/584973276.db2.gz NTTZNHZEOYWFBC-ZDUSSCGKSA-N 2 0 224.348 1.383 20 0 BDADRP C[NH+](C)CCC[N@H+](C)CC1CC[NH+](C)CC1 ZINC000738877385 585054002 /nfs/dbraw/zinc/05/40/02/585054002.db2.gz QFSZHVWZYIXHKJ-UHFFFAOYSA-N 3 0 227.396 1.212 20 0 BDADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)C2CC2)C1 ZINC000838864220 585075824 /nfs/dbraw/zinc/07/58/24/585075824.db2.gz GXFOKTDAYLNRTP-GXTWGEPZSA-N 2 0 240.391 1.421 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)C2CC2)C1 ZINC000838862565 585076051 /nfs/dbraw/zinc/07/60/51/585076051.db2.gz KTBYRPWAGLWNTA-YPMHNXCESA-N 2 0 226.364 1.031 20 0 BDADRP C([C@@H]1C[C@@]12CCOC2)[N@@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000886832173 585181174 /nfs/dbraw/zinc/18/11/74/585181174.db2.gz CFCHUXGCABPSGG-RFQIPJPRSA-N 2 0 236.359 1.239 20 0 BDADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccoc1 ZINC000754048638 585276199 /nfs/dbraw/zinc/27/61/99/585276199.db2.gz SSHFAAPXWWFGEN-ZDUSSCGKSA-N 2 0 240.347 1.726 20 0 BDADRP CC[N@@H+]1CC[C@@H](N(C)CCF)C[C@@H]1C ZINC000759342295 585369150 /nfs/dbraw/zinc/36/91/50/585369150.db2.gz GUVJSPAATOGQIX-WDEREUQCSA-N 2 0 202.317 1.761 20 0 BDADRP C[NH+](C)[C@H]1CCCN(CC[NH+]2CCCC2)C1 ZINC000760826867 585398518 /nfs/dbraw/zinc/39/85/18/585398518.db2.gz GVJGKHIGZPLBMP-ZDUSSCGKSA-N 2 0 225.380 1.108 20 0 BDADRP Cc1cc(CNC[C@]2(O)CC[N@@H+](C)C2)c(C)o1 ZINC000762557041 585433976 /nfs/dbraw/zinc/43/39/76/585433976.db2.gz SQBOYFBPCSUAQW-CYBMUJFWSA-N 2 0 238.331 1.053 20 0 BDADRP CC(C)[NH2+][C@H]1CCCN(CCC2OCCO2)C1 ZINC000767799762 585526262 /nfs/dbraw/zinc/52/62/62/585526262.db2.gz ARBXKJUTYALOKR-LBPRGKRZSA-N 2 0 242.363 1.212 20 0 BDADRP FCc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000777559693 585715229 /nfs/dbraw/zinc/71/52/29/585715229.db2.gz ISEUDLWCIVQIFX-ZIAGYGMSSA-N 2 0 234.318 1.807 20 0 BDADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)CCO)C1 ZINC000779411700 585753909 /nfs/dbraw/zinc/75/39/09/585753909.db2.gz GPKLMHJNPRJDIE-KGLIPLIRSA-N 2 0 242.407 1.715 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC=CO2)[C@H](C)C1 ZINC000783308801 585833392 /nfs/dbraw/zinc/83/33/92/585833392.db2.gz FTMBDHXIHBTXIO-MCIONIFRSA-N 2 0 238.375 1.999 20 0 BDADRP COCC[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000788327077 585922031 /nfs/dbraw/zinc/92/20/31/585922031.db2.gz LDGJLYIRNDJBSE-LBPRGKRZSA-N 2 0 235.331 1.239 20 0 BDADRP CN(C)[C@H]1CCC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000788475120 585925101 /nfs/dbraw/zinc/92/51/01/585925101.db2.gz BEHPUTNODOLQDE-AWEZNQCLSA-N 2 0 239.407 1.354 20 0 BDADRP C[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)[C@H](C)CO1 ZINC000788471072 585925300 /nfs/dbraw/zinc/92/53/00/585925300.db2.gz SSKLKAVAPQUZJZ-VXGBXAGGSA-N 2 0 226.364 1.437 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCOCC23CCC3)CC1 ZINC000788486487 585925508 /nfs/dbraw/zinc/92/55/08/585925508.db2.gz YDUVPBGONHHPBD-UHFFFAOYSA-N 2 0 238.375 1.583 20 0 BDADRP CC[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000788489878 585925698 /nfs/dbraw/zinc/92/56/98/585925698.db2.gz SRVXXAQIEGOFKL-ZIAGYGMSSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1cc[nH]c(=O)c1 ZINC000788568268 585926990 /nfs/dbraw/zinc/92/69/90/585926990.db2.gz CJYVQKPKQBTHJJ-NSHDSACASA-N 2 0 237.347 1.780 20 0 BDADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1cc[nH]c(=O)c1 ZINC000788568266 585927069 /nfs/dbraw/zinc/92/70/69/585927069.db2.gz CJYVQKPKQBTHJJ-LLVKDONJSA-N 2 0 237.347 1.780 20 0 BDADRP C[NH+]1CCC2(CCC[N@H+](Cc3cnc[nH]3)C2)CC1 ZINC000799179608 586165878 /nfs/dbraw/zinc/16/58/78/586165878.db2.gz PEZUQYGWAGHZRU-UHFFFAOYSA-N 2 0 248.374 1.718 20 0 BDADRP CC[N@H+](CCC[NH+](C)C)C[C@H]1CCC=CO1 ZINC000809750406 586517198 /nfs/dbraw/zinc/51/71/98/586517198.db2.gz UUJWINRZADHKBW-CYBMUJFWSA-N 2 0 226.364 1.953 20 0 BDADRP Cc1ccccc1[C@H](O)C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000817889105 586831854 /nfs/dbraw/zinc/83/18/54/586831854.db2.gz MLXHMKARKHYKMS-MBNYWOFBSA-N 2 0 236.359 1.744 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@H](O)c1ccccc1 ZINC000817893850 586833539 /nfs/dbraw/zinc/83/35/39/586833539.db2.gz JDDFIRQQLXJZGU-KFWWJZLASA-N 2 0 248.370 1.970 20 0 BDADRP [NH3+]CC1CCC([NH2+]C[C@H](O)c2ccccc2)CC1 ZINC000817894638 586834276 /nfs/dbraw/zinc/83/42/76/586834276.db2.gz OJBCNHCSXMQWTJ-ZALBZXLWSA-N 2 0 248.370 1.827 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1CSCCS1 ZINC000817897801 586834977 /nfs/dbraw/zinc/83/49/77/586834977.db2.gz BCKRLOSKGYZCIX-IVZWLZJFSA-N 2 0 234.434 1.550 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCNc1ccccc1 ZINC000817901757 586836301 /nfs/dbraw/zinc/83/63/01/586836301.db2.gz YEKUEJXOKBVWAC-VXGBXAGGSA-N 2 0 221.348 1.814 20 0 BDADRP C[C@@H](NCC[N@@H+]1CCC[C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000817912790 586837970 /nfs/dbraw/zinc/83/79/70/586837970.db2.gz IONVZQXFYKGTBY-MGPQQGTHSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@](O)(C[NH2+][C@@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000817911406 586838181 /nfs/dbraw/zinc/83/81/81/586838181.db2.gz AEBQCEIYPGCQGJ-MCIONIFRSA-N 2 0 234.343 1.364 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000817913614 586838878 /nfs/dbraw/zinc/83/88/78/586838878.db2.gz OLFJMAUAROLMBA-SGMGOOAPSA-N 2 0 236.359 1.610 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@](C)(O)c1ccccc1 ZINC000817913380 586839426 /nfs/dbraw/zinc/83/94/26/586839426.db2.gz OLFJMAUAROLMBA-OBJOEFQTSA-N 2 0 236.359 1.610 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@H](CCO)C1CC1 ZINC000817918677 586839989 /nfs/dbraw/zinc/83/99/89/586839989.db2.gz MONIXOSCGKDAFT-CMPLNLGQSA-N 2 0 214.353 1.255 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cccc(F)n1 ZINC000817918462 586840360 /nfs/dbraw/zinc/84/03/60/586840360.db2.gz UWFRYFJKLIZFKN-JTQLQIEISA-N 2 0 225.311 1.828 20 0 BDADRP C[C@H]([NH2+]C[C@@]1(C)CC1(Cl)Cl)C1C[NH2+]C1 ZINC000817935699 586844495 /nfs/dbraw/zinc/84/44/95/586844495.db2.gz DAPZERNYPLYUNQ-IONNQARKSA-N 2 0 237.174 1.768 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817947217 586846837 /nfs/dbraw/zinc/84/68/37/586846837.db2.gz ALGUYMZXLXODMC-NWDGAFQWSA-N 2 0 236.359 1.701 20 0 BDADRP [NH3+]CCc1ccc(C[NH2+]C2CCC(O)CC2)cc1 ZINC000817950154 586846894 /nfs/dbraw/zinc/84/68/94/586846894.db2.gz WXUSTWUCJAEBLS-UHFFFAOYSA-N 2 0 248.370 1.581 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817948159 586847358 /nfs/dbraw/zinc/84/73/58/586847358.db2.gz FOXUWAPVMIXJRY-ZDUSSCGKSA-N 3 0 249.402 1.795 20 0 BDADRP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ccnc(Cl)c1 ZINC000817961814 586852940 /nfs/dbraw/zinc/85/29/40/586852940.db2.gz CWEUICVUZDGGAY-DTWKUNHWSA-N 2 0 227.739 1.980 20 0 BDADRP C[C@H](CO)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000820807416 587073154 /nfs/dbraw/zinc/07/31/54/587073154.db2.gz HZVXFQOGAMPGCW-NEPJUHHUSA-N 2 0 236.359 1.780 20 0 BDADRP CC(C)(O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000820809848 587074163 /nfs/dbraw/zinc/07/41/63/587074163.db2.gz JCYXRJMOKLPIHW-VGPLMAKISA-N 2 0 238.375 1.505 20 0 BDADRP CN(C(=O)CCCCC[NH3+])C1CCC([NH3+])CC1 ZINC000832829437 587692612 /nfs/dbraw/zinc/69/26/12/587692612.db2.gz YNMURTIWDUSGHV-UHFFFAOYSA-N 2 0 241.379 1.234 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CCCCCC[NH3+] ZINC000834642834 587762525 /nfs/dbraw/zinc/76/25/25/587762525.db2.gz TZIPUSQAWNQDBG-NEPJUHHUSA-N 2 0 241.379 1.010 20 0 BDADRP [NH3+]CCCCCC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000834703530 587764678 /nfs/dbraw/zinc/76/46/78/587764678.db2.gz MRRTWLGOODQRMX-LBPRGKRZSA-N 2 0 241.379 1.093 20 0 BDADRP C[C@@H](CCO)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000834910689 587770261 /nfs/dbraw/zinc/77/02/61/587770261.db2.gz WDSPMEBMJKFFDZ-NSHDSACASA-N 2 0 214.353 1.221 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@@H](C(F)F)C2)CC[NH2+]1 ZINC000841021714 587935567 /nfs/dbraw/zinc/93/55/67/587935567.db2.gz FFOZRNXJMBERIT-GMTAPVOTSA-N 2 0 248.317 1.340 20 0 BDADRP [NH3+]CCC[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000841020162 587935727 /nfs/dbraw/zinc/93/57/27/587935727.db2.gz NTCMXQIOXMVGPS-NSHDSACASA-N 2 0 205.305 1.220 20 0 BDADRP CC[C@H](COC)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841032881 587937166 /nfs/dbraw/zinc/93/71/66/587937166.db2.gz GSQCQXKSUODYOL-CQSZACIVSA-N 2 0 236.359 1.702 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000841035640 587937698 /nfs/dbraw/zinc/93/76/98/587937698.db2.gz LLJURNODLDVLSF-LNFKQOIKSA-N 2 0 246.445 1.693 20 0 BDADRP Cc1cc(C[NH2+]C[C@@H](C)C[NH3+])cnc1Cl ZINC000841049500 587939823 /nfs/dbraw/zinc/93/98/23/587939823.db2.gz SOWFYHNWHVCVLJ-QMMMGPOBSA-N 2 0 227.739 1.728 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(Cl)nc1 ZINC000841078386 587944861 /nfs/dbraw/zinc/94/48/61/587944861.db2.gz CHEYKSWGGISOTH-VIFPVBQESA-N 2 0 227.739 1.952 20 0 BDADRP CC[NH2+]CC(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000841848945 587977914 /nfs/dbraw/zinc/97/79/14/587977914.db2.gz WHNHKMATDKVKHK-UHFFFAOYSA-N 2 0 247.342 1.034 20 0 BDADRP CC(=O)N1CC[NH+](CCCCCCC[NH3+])CC1 ZINC000842471188 588028318 /nfs/dbraw/zinc/02/83/18/588028318.db2.gz HTDPKQYIPZVLEI-UHFFFAOYSA-N 2 0 241.379 1.060 20 0 BDADRP NC(=O)[C@H]1CCCC[N@@H+]1CCCCCCC[NH3+] ZINC000842471481 588029252 /nfs/dbraw/zinc/02/92/52/588029252.db2.gz DBJVYLBARKWOSV-GFCCVEGCSA-N 2 0 241.379 1.235 20 0 BDADRP CN(CC[NH2+]C(C)(C)C)C1CCC([NH3+])CC1 ZINC000843055295 588077473 /nfs/dbraw/zinc/07/74/73/588077473.db2.gz WGKZCXHRQSTSBT-UHFFFAOYSA-N 2 0 227.396 1.576 20 0 BDADRP Cc1cc(C[NH2+]C2CCC([NH3+])CC2)nn1C ZINC000843105067 588081622 /nfs/dbraw/zinc/08/16/22/588081622.db2.gz PSNHTLWIEZBMAA-UHFFFAOYSA-N 2 0 222.336 1.088 20 0 BDADRP c1cc2c(cc1N[C@H]1CCC[NH2+]C1)C[NH2+]CCO2 ZINC000843125719 588084445 /nfs/dbraw/zinc/08/44/45/588084445.db2.gz GCKQAZHPDOTYDV-ZDUSSCGKSA-N 2 0 247.342 1.333 20 0 BDADRP [NH3+]CCCCCC[NH2+]Cc1cnc2cnccn12 ZINC000843126823 588084553 /nfs/dbraw/zinc/08/45/53/588084553.db2.gz JKSJROKFKJNVNF-UHFFFAOYSA-N 2 0 247.346 1.338 20 0 BDADRP Cc1ccc(C[NH2+]CCCCCC[NH3+])cn1 ZINC000843127583 588085218 /nfs/dbraw/zinc/08/52/18/588085218.db2.gz QGVSITALCBQOHN-UHFFFAOYSA-N 2 0 221.348 1.999 20 0 BDADRP COC[C@@H](C)C[NH2+]CCCCCC[NH3+] ZINC000843129848 588085730 /nfs/dbraw/zinc/08/57/30/588085730.db2.gz SCDXXZWVJFYLQG-NSHDSACASA-N 2 0 202.342 1.378 20 0 BDADRP C[C@H]1C[NH2+]CCN1CCCCCCC[NH3+] ZINC000843347316 588100192 /nfs/dbraw/zinc/10/01/92/588100192.db2.gz QKARBDVIQOWTKK-LBPRGKRZSA-N 2 0 213.369 1.189 20 0 BDADRP Cc1nn(C)cc1[C@@H](C)[NH2+]CCCCCC[NH3+] ZINC000843343766 588101256 /nfs/dbraw/zinc/10/12/56/588101256.db2.gz XTMDUESQWLCRPF-LLVKDONJSA-N 2 0 238.379 1.898 20 0 BDADRP C[C@H]1CCNC[C@@H]1[NH2+]CCCCCC[NH3+] ZINC000843343709 588101274 /nfs/dbraw/zinc/10/12/74/588101274.db2.gz FSOPBGDOCSKRHH-RYUDHWBXSA-N 2 0 213.369 1.093 20 0 BDADRP [NH3+]CCCCCCC[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000843347738 588102478 /nfs/dbraw/zinc/10/24/78/588102478.db2.gz JLNQMVVHGPYDDX-ZDUSSCGKSA-N 3 0 227.396 1.566 20 0 BDADRP C[NH2+]C[C@@H]1CCCN1CCCCCCC[NH3+] ZINC000843352490 588103215 /nfs/dbraw/zinc/10/32/15/588103215.db2.gz HFIYJZJUHMKTFS-ZDUSSCGKSA-N 2 0 227.396 1.579 20 0 BDADRP CCCCOC(=O)CC[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000843362614 588104545 /nfs/dbraw/zinc/10/45/45/588104545.db2.gz LENQZZPCENNHAH-NEPJUHHUSA-N 2 0 242.363 1.389 20 0 BDADRP [NH3+]CCCCCCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000843377588 588105282 /nfs/dbraw/zinc/10/52/82/588105282.db2.gz DRSJEIOPFRFMQZ-BETUJISGSA-N 3 0 225.380 1.047 20 0 BDADRP CC[C@]1(C(=O)NCCCCCC[NH3+])CCC[NH2+]1 ZINC000843513026 588118003 /nfs/dbraw/zinc/11/80/03/588118003.db2.gz XDVSRPHHVQNSKJ-CYBMUJFWSA-N 2 0 241.379 1.154 20 0 BDADRP Cc1cc([C@H](C)[NH2+]CCC2(C[NH3+])CC2)n(C)n1 ZINC000844919335 588219258 /nfs/dbraw/zinc/21/92/58/588219258.db2.gz FJFRYHWCJJMOFP-NSHDSACASA-N 2 0 236.363 1.508 20 0 BDADRP [NH3+]CC1(CC[NH2+][C@@H]2CCCc3n[nH]cc32)CC1 ZINC000844919078 588219422 /nfs/dbraw/zinc/21/94/22/588219422.db2.gz BXPQTLYHQMDDAG-LLVKDONJSA-N 2 0 234.347 1.506 20 0 BDADRP CN1CC[C@@H]([NH2+]Cc2cccc3c2CCC3)C1 ZINC000845936770 588250706 /nfs/dbraw/zinc/25/07/06/588250706.db2.gz ZJDOSUIRABPEQI-CQSZACIVSA-N 2 0 230.355 1.969 20 0 BDADRP NC[C@@H]1CCCC[N@@H+]1CCCCCC[NH3+] ZINC000846216927 588259574 /nfs/dbraw/zinc/25/95/74/588259574.db2.gz YCKBNAFEHJVTJD-LBPRGKRZSA-N 2 0 213.369 1.319 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCCCCC[NH3+])C1 ZINC000846220898 588259977 /nfs/dbraw/zinc/25/99/77/588259977.db2.gz XPTUDANFQFTLSA-VXGBXAGGSA-N 3 0 213.369 1.175 20 0 BDADRP [NH3+]CCCCCCN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000846217197 588260318 /nfs/dbraw/zinc/26/03/18/588260318.db2.gz CKVOHEBUOVXLHF-OLZOCXBDSA-N 3 0 225.380 1.332 20 0 BDADRP C[NH2+][C@H]1CCCN(CCCCCC[NH3+])C1 ZINC000846217403 588260522 /nfs/dbraw/zinc/26/05/22/588260522.db2.gz GPTSTHAGGXUHKI-LBPRGKRZSA-N 3 0 213.369 1.189 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000846220392 588261258 /nfs/dbraw/zinc/26/12/58/588261258.db2.gz IDMWCCSDAVKJHN-STQMWFEESA-N 3 0 225.380 1.189 20 0 BDADRP COC[C@@H]1C[N@H+](CCCCCC[NH3+])C[C@H](C)O1 ZINC000846221380 588261374 /nfs/dbraw/zinc/26/13/74/588261374.db2.gz XYJKQAHLMLNVLG-STQMWFEESA-N 2 0 244.379 1.241 20 0 BDADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CCF)C2)C1 ZINC000846224774 588261705 /nfs/dbraw/zinc/26/17/05/588261705.db2.gz DFOXRSWUQNQLNK-TUAOUCFPSA-N 2 0 230.327 1.174 20 0 BDADRP [NH3+]CCCCCCC[NH+]1CCC(CO)CC1 ZINC000848599594 588401310 /nfs/dbraw/zinc/40/13/10/588401310.db2.gz NECOLBVSAHRATG-UHFFFAOYSA-N 2 0 228.380 1.600 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@H](O)c2ccccc2)C1 ZINC000848676779 588404892 /nfs/dbraw/zinc/40/48/92/588404892.db2.gz RSJRYEZFKFLSBT-CFVMTHIKSA-N 2 0 248.370 1.650 20 0 BDADRP [NH3+]CCCCCC[NH2+]Cc1cccnc1 ZINC000107779637 588405844 /nfs/dbraw/zinc/40/58/44/588405844.db2.gz MAHWXMXBDUVTIB-UHFFFAOYSA-N 2 0 207.321 1.690 20 0 BDADRP C[C@](O)(C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000848719482 588408447 /nfs/dbraw/zinc/40/84/47/588408447.db2.gz GRLYRACWLDKKOF-KFWWJZLASA-N 2 0 248.370 1.754 20 0 BDADRP CCC(CC)[C@H](CNC1=[NH+]CCN1C)[NH+](C)C ZINC000848984238 588422808 /nfs/dbraw/zinc/42/28/08/588422808.db2.gz BUWZUTZHJVKRJD-LBPRGKRZSA-N 2 0 240.395 1.244 20 0 BDADRP CC[C@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000848981013 588423832 /nfs/dbraw/zinc/42/38/32/588423832.db2.gz VCHSIAXICASTTD-QWRGUYRKSA-N 2 0 226.368 1.383 20 0 BDADRP CNC(=[NH2+])NCC1([NH+](C)C)CCCCCC1 ZINC000848982219 588424036 /nfs/dbraw/zinc/42/40/36/588424036.db2.gz OVEHOZXRISBLQY-UHFFFAOYSA-N 2 0 226.368 1.385 20 0 BDADRP CC(C)C[C@H](CNC1=[NH+]CCCN1C)[NH+](C)C ZINC000848983931 588424951 /nfs/dbraw/zinc/42/49/51/588424951.db2.gz TYUOQANHZIJHLD-GFCCVEGCSA-N 2 0 240.395 1.244 20 0 BDADRP CCNC(=[NH2+])NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000848987277 588426068 /nfs/dbraw/zinc/42/60/68/588426068.db2.gz WXOMLJACCBEQHJ-QWRGUYRKSA-N 2 0 226.368 1.383 20 0 BDADRP CCNC(=[NH2+])NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000848987174 588426223 /nfs/dbraw/zinc/42/62/23/588426223.db2.gz LIVFUOJJZPJNQD-GHMZBOCLSA-N 2 0 226.368 1.241 20 0 BDADRP C[C@H](CNC(=[NH2+])N(C)C)[N@@H+]1CCCC[C@@H]1C ZINC000848987409 588426498 /nfs/dbraw/zinc/42/64/98/588426498.db2.gz ULAKZQIIFHUNMV-WDEREUQCSA-N 2 0 226.368 1.335 20 0 BDADRP CCCCNC(=[NH2+])NCCCC[NH+](C)C ZINC000848990069 588426705 /nfs/dbraw/zinc/42/67/05/588426705.db2.gz XCEAFZVJLBJUAA-UHFFFAOYSA-N 2 0 214.357 1.242 20 0 BDADRP CCN(CC)C(=[NH2+])NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000848996266 588429027 /nfs/dbraw/zinc/42/90/27/588429027.db2.gz NJRPERSDLNYSKQ-GFCCVEGCSA-N 2 0 240.395 1.583 20 0 BDADRP CCNC(=[NH2+])NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000848998626 588429949 /nfs/dbraw/zinc/42/99/49/588429949.db2.gz BJUGWWIILMWDEZ-NSHDSACASA-N 2 0 226.368 1.241 20 0 BDADRP CCNC(=[NH2+])NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000848998625 588429964 /nfs/dbraw/zinc/42/99/64/588429964.db2.gz BJUGWWIILMWDEZ-LLVKDONJSA-N 2 0 226.368 1.241 20 0 BDADRP CCNC(=[NH2+])NCCCCCCC[NH+](C)C ZINC000848998194 588429997 /nfs/dbraw/zinc/42/99/97/588429997.db2.gz CNNVLPQYXFUPEO-UHFFFAOYSA-N 2 0 228.384 1.632 20 0 BDADRP CC(C)(C)[NH2+]CCNC(=[NH2+])NC1CCCC1 ZINC000849006071 588432449 /nfs/dbraw/zinc/43/24/49/588432449.db2.gz QPNMHOWDXPSFNN-UHFFFAOYSA-N 2 0 226.368 1.431 20 0 BDADRP CCNC(=[NH2+])NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000849023218 588439538 /nfs/dbraw/zinc/43/95/38/588439538.db2.gz ZCLXUNRJTFKLIZ-LLVKDONJSA-N 2 0 224.352 1.137 20 0 BDADRP CCNC(=[NH2+])NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000849024008 588439730 /nfs/dbraw/zinc/43/97/30/588439730.db2.gz NXRPGILNISGSIC-SNVBAGLBSA-N 2 0 226.368 1.241 20 0 BDADRP CCNC(=[NH2+])NC1CC([NH+]2CCCCC2)C1 ZINC000849025294 588440310 /nfs/dbraw/zinc/44/03/10/588440310.db2.gz XSVYFFOMPBLQOU-UHFFFAOYSA-N 2 0 224.352 1.137 20 0 BDADRP CCCCNC(=[NH2+])NCc1ccc2c[nH+]cn2c1 ZINC000849040131 588447260 /nfs/dbraw/zinc/44/72/60/588447260.db2.gz MSMQOMPKABAMMY-UHFFFAOYSA-N 2 0 245.330 1.748 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CNC1=[NH+]CCCCN1 ZINC000849216019 588462448 /nfs/dbraw/zinc/46/24/48/588462448.db2.gz QCYYICJVMHIWGX-GFCCVEGCSA-N 2 0 238.379 1.190 20 0 BDADRP COc1cncc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000850338539 588537640 /nfs/dbraw/zinc/53/76/40/588537640.db2.gz JAZTUCVTQOMYKS-BJHJDKERSA-N 2 0 249.358 1.520 20 0 BDADRP C[C@@H](CCO)[NH2+][C@@H](C)CN1CCC(C)CC1 ZINC000850544260 588559199 /nfs/dbraw/zinc/55/91/99/588559199.db2.gz VCEKWMLMWUZPEW-STQMWFEESA-N 2 0 228.380 1.467 20 0 BDADRP C[C@@H](CCO)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000850582481 588561836 /nfs/dbraw/zinc/56/18/36/588561836.db2.gz KAQKCBOXEJIJFR-LBPRGKRZSA-N 2 0 240.391 1.469 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](CCC(OC)OC)C1 ZINC000851798875 588630332 /nfs/dbraw/zinc/63/03/32/588630332.db2.gz JAYPYAGODJEVPS-GFCCVEGCSA-N 2 0 244.379 1.269 20 0 BDADRP CC[NH+](CC)[C@@H]1CCN(CCCCCC[NH3+])C1 ZINC000110370694 588659058 /nfs/dbraw/zinc/65/90/58/588659058.db2.gz IILSHCUYLADQJC-CQSZACIVSA-N 2 0 241.423 1.922 20 0 BDADRP C[N@@H+]1CC[C@@]2(CCN(Cc3cccc(F)n3)C2)C1 ZINC000852077826 588660091 /nfs/dbraw/zinc/66/00/91/588660091.db2.gz FEBUWOJQVLFFQI-CQSZACIVSA-N 2 0 249.333 1.748 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCOC(F)F)C1 ZINC000852741584 588698484 /nfs/dbraw/zinc/69/84/84/588698484.db2.gz WDYDVPWJNBUOQD-DTWKUNHWSA-N 2 0 222.279 1.285 20 0 BDADRP FC(F)OCC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000852750287 588699031 /nfs/dbraw/zinc/69/90/31/588699031.db2.gz YPRMTIUUGFZXRQ-QWRGUYRKSA-N 2 0 248.317 1.690 20 0 BDADRP FC(F)OCC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000852750288 588699034 /nfs/dbraw/zinc/69/90/34/588699034.db2.gz YPRMTIUUGFZXRQ-WDEREUQCSA-N 2 0 248.317 1.690 20 0 BDADRP FC(F)OCC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000852750082 588699989 /nfs/dbraw/zinc/69/99/89/588699989.db2.gz VMXDUPIMPPJGTL-NSHDSACASA-N 2 0 248.317 1.690 20 0 BDADRP C[C@@]12COC[C@H]1C[N@H+](CCCCCCC[NH3+])C2 ZINC000852758927 588700456 /nfs/dbraw/zinc/70/04/56/588700456.db2.gz HKJBMLRHOZTAMP-ZIAGYGMSSA-N 2 0 240.391 1.864 20 0 BDADRP C[C@@]12COC[C@@H]1C[N@H+](CCCCCC[NH3+])C2 ZINC000852758856 588700696 /nfs/dbraw/zinc/70/06/96/588700696.db2.gz FUOGWAWVKDTPQM-QWHCGFSZSA-N 2 0 226.364 1.474 20 0 BDADRP [NH3+]C1(C[NH2+][C@@H]2CC[C@@H]2C2CC2)CCOCC1 ZINC000863541310 589297059 /nfs/dbraw/zinc/29/70/59/589297059.db2.gz KGWCZDUBZJPUDO-VXGBXAGGSA-N 2 0 224.348 1.273 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000863543116 589297208 /nfs/dbraw/zinc/29/72/08/589297208.db2.gz KUHKWFPQUOQMHP-WUHRBBMRSA-N 2 0 208.349 1.905 20 0 BDADRP CC(=O)Nc1cccc(CN(C)C[C@@H](C)[NH3+])c1 ZINC000863567981 589300265 /nfs/dbraw/zinc/30/02/65/589300265.db2.gz HRSULDZUHSRCSU-SNVBAGLBSA-N 2 0 235.331 1.424 20 0 BDADRP Cn1ccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000863641531 589306584 /nfs/dbraw/zinc/30/65/84/589306584.db2.gz GOEDUJNFXOFZTI-LLVKDONJSA-N 2 0 207.321 1.196 20 0 BDADRP C[C@@H]1C[C@@H]1NC(=[NH2+])NCCC[NH+]1CCCCC1 ZINC000864450275 589364142 /nfs/dbraw/zinc/36/41/42/589364142.db2.gz JFDBCJFPPKBVBR-NEPJUHHUSA-N 2 0 238.379 1.385 20 0 BDADRP C[C@@H]1C[C@H]1NC(=[NH2+])NCC(C)(C)C[NH+](C)C ZINC000864451117 589364801 /nfs/dbraw/zinc/36/48/01/589364801.db2.gz DMIPCNNCTBJDPT-NXEZZACHSA-N 2 0 226.368 1.097 20 0 BDADRP CCC(CC)NC(=[NH2+])NCC[NH+](CC)CC ZINC000864452188 589365195 /nfs/dbraw/zinc/36/51/95/589365195.db2.gz MVPITHOVGJTSTB-UHFFFAOYSA-N 2 0 228.384 1.631 20 0 BDADRP CC[C@H](CNC(=[NH2+])N[C@@H]1C[C@@H]1C)[NH+]1CCCC1 ZINC000864453207 589365456 /nfs/dbraw/zinc/36/54/56/589365456.db2.gz LJQBACSPIJFOPF-QJPTWQEYSA-N 2 0 238.379 1.383 20 0 BDADRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])N[C@@H]2C[C@@H]2C)C1 ZINC000864456267 589367110 /nfs/dbraw/zinc/36/71/10/589367110.db2.gz HKLINPXQDOGCFG-QJPTWQEYSA-N 2 0 238.379 1.241 20 0 BDADRP C[C@@H]1C[C@@H]1NC(=[NH2+])NCC[N@H+](C)C1CCCC1 ZINC000864457598 589368029 /nfs/dbraw/zinc/36/80/29/589368029.db2.gz FJVCDPYYTPJMNF-PWSUYJOCSA-N 2 0 238.379 1.383 20 0 BDADRP CC[C@H]1CCN(C(=[NH2+])NC[C@H](C)C[NH+](C)C)C1 ZINC000864465831 589370848 /nfs/dbraw/zinc/37/08/48/589370848.db2.gz BYUIFMLIYSVMHC-RYUDHWBXSA-N 2 0 240.395 1.440 20 0 BDADRP C[C@@H]1C[C@@H]1NC(=[NH2+])NCC[C@H]1CCC[N@H+](C)C1 ZINC000864465773 589370873 /nfs/dbraw/zinc/37/08/73/589370873.db2.gz COJBIPKKKKRKJT-UTUOFQBUSA-N 2 0 238.379 1.241 20 0 BDADRP Cc1c[nH+]ccc1N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000866208551 589480375 /nfs/dbraw/zinc/48/03/75/589480375.db2.gz NQYLPEIVXVZUOX-OCCSQVGLSA-N 2 0 231.343 1.920 20 0 BDADRP Cc1cc(N2CC[N@H+](C)[C@@H](C(C)C)C2)nc(N)[nH+]1 ZINC000866219748 589481333 /nfs/dbraw/zinc/48/13/33/589481333.db2.gz XEDNVCFVDDJCDR-LLVKDONJSA-N 2 0 249.362 1.144 20 0 BDADRP COC[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000866583718 589502006 /nfs/dbraw/zinc/50/20/06/589502006.db2.gz LJNXWAJBIAZWMS-QJPTWQEYSA-N 2 0 212.337 1.047 20 0 BDADRP COC[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000866583722 589502191 /nfs/dbraw/zinc/50/21/91/589502191.db2.gz LJNXWAJBIAZWMS-SRVKXCTJSA-N 2 0 212.337 1.047 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000866703732 589513182 /nfs/dbraw/zinc/51/31/82/589513182.db2.gz LFCVMIWKKPDVMS-AGIUHOORSA-N 2 0 240.416 1.671 20 0 BDADRP CC(=O)CC[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000121612404 589520785 /nfs/dbraw/zinc/52/07/85/589520785.db2.gz NHKXRKUMRRDQPE-UHFFFAOYSA-N 2 0 226.364 1.629 20 0 BDADRP CC[NH2+]CC(=O)N1c2ccccc2[C@@H]([NH3+])C1(C)C ZINC000867988867 589542647 /nfs/dbraw/zinc/54/26/47/589542647.db2.gz WIBLWOPNZWUVEK-CYBMUJFWSA-N 2 0 247.342 1.421 20 0 BDADRP CC(C)[NH2+]CCCNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870934772 589698602 /nfs/dbraw/zinc/69/86/02/589698602.db2.gz FXLJFGIPYNPXOT-HAQNSBGRSA-N 2 0 241.379 1.008 20 0 BDADRP [NH3+]C1(c2noc(/C=C\[C@H]3CCC[NH2+]C3)n2)CCC1 ZINC000871787605 589818877 /nfs/dbraw/zinc/81/88/77/589818877.db2.gz YIHQADZNNCSEIM-UMCURTJPSA-N 2 0 248.330 1.420 20 0 BDADRP CC[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)[C@H]1CCCOC1 ZINC000872073528 589865136 /nfs/dbraw/zinc/86/51/36/589865136.db2.gz QINMHNYYHZHVOY-RDBSUJKOSA-N 2 0 242.407 1.979 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@@H]1CC2(CCC2)CO1 ZINC000872144632 589884000 /nfs/dbraw/zinc/88/40/00/589884000.db2.gz IBNBVIFDDNVNRW-UPJWGTAASA-N 2 0 238.375 1.757 20 0 BDADRP C[C@H]1OCC[C@H]1C[N@H+](C)CCCCCC[NH3+] ZINC000872156403 589885408 /nfs/dbraw/zinc/88/54/08/589885408.db2.gz JDCWJPYOEFBYME-OLZOCXBDSA-N 2 0 228.380 1.862 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872300222 589907674 /nfs/dbraw/zinc/90/76/74/589907674.db2.gz HWTQLWHLWVIGTK-KKOKHZNYSA-N 2 0 241.379 1.136 20 0 BDADRP C[C@@H](C[NH+](C)C)Nc1cc[nH+]cc1C1CC1 ZINC000872547642 589948995 /nfs/dbraw/zinc/94/89/95/589948995.db2.gz KOJJDTIOHODQIB-JTQLQIEISA-N 2 0 219.332 1.743 20 0 BDADRP CN1CCOC[C@@H]1CNc1cc[nH+]cc1C1CC1 ZINC000872618529 589956816 /nfs/dbraw/zinc/95/68/16/589956816.db2.gz ZOUNPEHBYDAUJO-LBPRGKRZSA-N 2 0 247.342 1.123 20 0 BDADRP CN(CCC[NH3+])Cc1cc2c(s1)CC[NH2+]C2 ZINC000873200767 589992636 /nfs/dbraw/zinc/99/26/36/589992636.db2.gz FSOGRUYRIVXFMR-UHFFFAOYSA-N 2 0 239.388 1.174 20 0 BDADRP CC(C)[C@H](C[NH3+])C[N@H+](C)C1CCC([NH3+])CC1 ZINC000873200544 589992994 /nfs/dbraw/zinc/99/29/94/589992994.db2.gz CDEZBLIDLGKVLV-PNESKVBLSA-N 3 0 227.396 1.419 20 0 BDADRP C[C@@H](O)C[N@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873208464 589994182 /nfs/dbraw/zinc/99/41/82/589994182.db2.gz ODVRXDBRQDNZLS-SECBINFHSA-N 2 0 240.372 1.206 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000873210942 589994910 /nfs/dbraw/zinc/99/49/10/589994910.db2.gz SVEOLWHPAFPVQE-VIFPVBQESA-N 3 0 239.388 1.078 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873220358 589998898 /nfs/dbraw/zinc/99/88/98/589998898.db2.gz LHNUADRYMGTCCQ-AAEUAGOBSA-N 3 0 227.396 1.338 20 0 BDADRP CC(C)(C)[C@@]1(C[NH3+])CCN(CC2(C[NH3+])CC2)C1 ZINC000873223110 589999626 /nfs/dbraw/zinc/99/96/26/589999626.db2.gz HWNJSWOMCGCWQO-CQSZACIVSA-N 3 0 239.407 1.422 20 0 BDADRP CC(C)([NH3+])CN1CC[C@H]2CSC[C@H]2C1 ZINC000873221704 590000062 /nfs/dbraw/zinc/00/00/62/590000062.db2.gz NYDPGRZZRPDFFW-VHSXEESVSA-N 2 0 214.378 1.409 20 0 BDADRP Fc1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccn1 ZINC000873242296 590006785 /nfs/dbraw/zinc/00/67/85/590006785.db2.gz OXAJOWLLCGHFBE-FRRDWIJNSA-N 2 0 249.333 1.698 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccnc(F)c1 ZINC000873242703 590007092 /nfs/dbraw/zinc/00/70/92/590007092.db2.gz RHAOSMCDZNNYRY-GHMZBOCLSA-N 2 0 223.295 1.438 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC12CCOCC2)C1C[NH2+]C1 ZINC000873249828 590007195 /nfs/dbraw/zinc/00/71/95/590007195.db2.gz CPWCZRMYMDOIPX-AAEUAGOBSA-N 2 0 238.375 1.391 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000873249863 590007503 /nfs/dbraw/zinc/00/75/03/590007503.db2.gz NEVDETIFTZAXLQ-GIFSMMMISA-N 3 0 231.343 1.458 20 0 BDADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873249708 590007799 /nfs/dbraw/zinc/00/77/99/590007799.db2.gz MUIPFVIDHVNCOQ-IGQOVBAYSA-N 3 0 239.407 1.624 20 0 BDADRP COCC[C@H]1CCC[C@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873255210 590010124 /nfs/dbraw/zinc/01/01/24/590010124.db2.gz DREMXHSHLVRUJZ-FDYHWXHSSA-N 2 0 226.364 1.519 20 0 BDADRP Cn1ccnc1[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)C1CC1 ZINC000873254791 590010190 /nfs/dbraw/zinc/01/01/90/590010190.db2.gz ANMXXKVQPQVOJU-YUSALJHKSA-N 2 0 234.347 1.198 20 0 BDADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873256217 590010604 /nfs/dbraw/zinc/01/06/04/590010604.db2.gz MUXBTGFGENATCX-NMFUWQPSSA-N 3 0 247.386 1.272 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cncc(F)c1 ZINC000873255371 590010747 /nfs/dbraw/zinc/01/07/47/590010747.db2.gz FHKQKZWFRQINCF-KBVBSXBZSA-N 2 0 223.295 1.609 20 0 BDADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873256216 590011068 /nfs/dbraw/zinc/01/10/68/590011068.db2.gz MUXBTGFGENATCX-NGFQHRJXSA-N 3 0 247.386 1.272 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cncc(F)c1 ZINC000873255370 590011256 /nfs/dbraw/zinc/01/12/56/590011256.db2.gz FHKQKZWFRQINCF-AUTRQRHGSA-N 2 0 223.295 1.609 20 0 BDADRP CC(C)n1cc([C@@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)cn1 ZINC000873258223 590012712 /nfs/dbraw/zinc/01/27/12/590012712.db2.gz YGRYHUZDECVWET-NQBHXWOUSA-N 2 0 236.363 1.852 20 0 BDADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H](c2cncc(F)c2)C2CC2)C1 ZINC000873258688 590012918 /nfs/dbraw/zinc/01/29/18/590012918.db2.gz VEEJWWFWKYRMQH-HERUPUMHSA-N 2 0 249.333 1.999 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000873260224 590013599 /nfs/dbraw/zinc/01/35/99/590013599.db2.gz VXGGBZVDEQGBEL-DJIHRAIXSA-N 2 0 208.349 1.905 20 0 BDADRP COC[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000873260415 590013627 /nfs/dbraw/zinc/01/36/27/590013627.db2.gz ZZECVPSPVZVSBT-YXCITZCRSA-N 2 0 238.375 1.532 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873268605 590015329 /nfs/dbraw/zinc/01/53/29/590015329.db2.gz XZAZTWUBZISWND-GMTAPVOTSA-N 2 0 214.353 1.388 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)C1CC[NH2+]CC1 ZINC000873269587 590015551 /nfs/dbraw/zinc/01/55/51/590015551.db2.gz IFYDKCZDRMXBAK-MDZLAQPJSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCn2ccnc21)C1CC[NH2+]CC1 ZINC000873268960 590015574 /nfs/dbraw/zinc/01/55/74/590015574.db2.gz BLNDJECHIZZINU-PWSUYJOCSA-N 2 0 234.347 1.306 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)[C@H]1CCCOC1)C1CC[NH2+]CC1 ZINC000873270130 590015986 /nfs/dbraw/zinc/01/59/86/590015986.db2.gz XPMNYNWUORCFEC-DYEKYZERSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@H]([NH2+][C@H]1CCO[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000873272315 590016350 /nfs/dbraw/zinc/01/63/50/590016350.db2.gz RKFXUOIUTQSEEA-GVXVVHGQSA-N 2 0 226.364 1.532 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCC[C@@H]2CCOC2=O)C1 ZINC000873283624 590019264 /nfs/dbraw/zinc/01/92/64/590019264.db2.gz YKYPPBXFFLCUBB-IJLUTSLNSA-N 2 0 240.347 1.189 20 0 BDADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCC1CCC1 ZINC000873283124 590019617 /nfs/dbraw/zinc/01/96/17/590019617.db2.gz ZDEWKWABDZUCTH-UHTWSYAYSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000873297095 590024623 /nfs/dbraw/zinc/02/46/23/590024623.db2.gz RBZYTERIFSPTSB-ZOWXZIJZSA-N 2 0 247.386 1.416 20 0 BDADRP C[N@H+](Cc1cccc2c1CC[NH2+]C2)C1CC1 ZINC000125647351 590176023 /nfs/dbraw/zinc/17/60/23/590176023.db2.gz KLSXAGPGNMUOAJ-UHFFFAOYSA-N 2 0 216.328 1.927 20 0 BDADRP C[C@@H]([NH3+])CC(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000876723170 590233383 /nfs/dbraw/zinc/23/33/83/590233383.db2.gz OPKPKMPFNRUYFU-UTUOFQBUSA-N 2 0 241.379 1.103 20 0 BDADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccncc1C ZINC000876753025 590238138 /nfs/dbraw/zinc/23/81/38/590238138.db2.gz GWFQIYRQFBIAMX-BLDJZWNYSA-N 2 0 245.326 1.162 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000876808724 590244735 /nfs/dbraw/zinc/24/47/35/590244735.db2.gz MOMFCXXHZLNFJT-VXGBXAGGSA-N 2 0 247.342 1.457 20 0 BDADRP CC(C)[NH2+]CC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877137871 590291142 /nfs/dbraw/zinc/29/11/42/590291142.db2.gz JCHLIJLMCVMKNA-QWHCGFSZSA-N 2 0 247.342 1.438 20 0 BDADRP C[C@@H](C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)[C@H](C)[NH3+] ZINC000877136878 590291186 /nfs/dbraw/zinc/29/11/86/590291186.db2.gz MVVBJGLOKGTHQC-FIDNZITISA-N 2 0 247.342 1.423 20 0 BDADRP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)[C@@H]2C[C@@H]([NH3+])C2)cc1 ZINC000877138760 590291471 /nfs/dbraw/zinc/29/14/71/590291471.db2.gz QDBDREFSXXRFFA-XRRVDJEJSA-N 2 0 245.326 1.177 20 0 BDADRP CC1(C)CC[C@@H](CNC(=O)CCCC[NH3+])[NH2+]C1 ZINC000877153030 590292690 /nfs/dbraw/zinc/29/26/90/590292690.db2.gz SFNUUDGUTQUOQE-NSHDSACASA-N 2 0 241.379 1.010 20 0 BDADRP C[C@H]([NH3+])CCC(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000877151004 590293004 /nfs/dbraw/zinc/29/30/04/590293004.db2.gz BQDQCHZJDCNQPZ-WDEREUQCSA-N 2 0 241.379 1.008 20 0 BDADRP CC(C)[C@H](O)CC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000878645049 590600741 /nfs/dbraw/zinc/60/07/41/590600741.db2.gz GTMRZYAAMJUQSN-KGLIPLIRSA-N 2 0 240.391 1.421 20 0 BDADRP CSC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000127291433 590615360 /nfs/dbraw/zinc/61/53/60/590615360.db2.gz FURIPEWXLZHMOP-WAAKLRNESA-N 2 0 228.405 1.953 20 0 BDADRP C[NH+](C)C[C@]1(O)CCC[N@H+](CCCC2CC2)C1 ZINC000878866773 590635445 /nfs/dbraw/zinc/63/54/45/590635445.db2.gz WZBBQHGUYHFTFN-CQSZACIVSA-N 2 0 240.391 1.565 20 0 BDADRP CCCCCC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000878867574 590636150 /nfs/dbraw/zinc/63/61/50/590636150.db2.gz GXQVWHDSZAFUAA-CQSZACIVSA-N 2 0 242.407 1.955 20 0 BDADRP CC(C)[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879582097 590819794 /nfs/dbraw/zinc/81/97/94/590819794.db2.gz PPTXXAIQEPKVIL-JHJVBQTASA-N 2 0 226.364 1.029 20 0 BDADRP CN1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCc1cccnc1 ZINC000880137719 590939537 /nfs/dbraw/zinc/93/95/37/590939537.db2.gz JLQSJKBUCRFJJY-LSDHHAIUSA-N 2 0 245.370 1.793 20 0 BDADRP C[C@H](O)CC[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880259377 590978620 /nfs/dbraw/zinc/97/86/20/590978620.db2.gz RHWGTANXJFBVNI-OLZOCXBDSA-N 2 0 249.358 1.363 20 0 BDADRP COCC[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880260268 590979698 /nfs/dbraw/zinc/97/96/98/590979698.db2.gz OYIVMSISOBAYBC-LBPRGKRZSA-N 2 0 235.331 1.239 20 0 BDADRP C[C@H](CO)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880261850 590979964 /nfs/dbraw/zinc/97/99/64/590979964.db2.gz YVKJRZPLOREXAI-STQMWFEESA-N 2 0 249.358 1.221 20 0 BDADRP FC[C@@H]1CC[NH+](CCC[N@H+]2CC[C@@H](CF)C2)C1 ZINC000880298865 590992141 /nfs/dbraw/zinc/99/21/41/590992141.db2.gz LNROPGLYCIQGGF-STQMWFEESA-N 2 0 246.345 1.959 20 0 BDADRP CC(C)[C@H](O)C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880473497 591054255 /nfs/dbraw/zinc/05/42/55/591054255.db2.gz GILVPXVFBYZVBF-CYBMUJFWSA-N 2 0 240.391 1.564 20 0 BDADRP CC[N@H+](CCNc1ncnc(C)c1C)C1CC1 ZINC000881902550 591277230 /nfs/dbraw/zinc/27/72/30/591277230.db2.gz DJNJSRUNJZGQOZ-UHFFFAOYSA-N 2 0 234.347 1.990 20 0 BDADRP Cc1ncnc(NC[C@H]2CC[N@@H+](C)C2)c1C ZINC000881916120 591278026 /nfs/dbraw/zinc/27/80/26/591278026.db2.gz VNORVVYKDJRYOQ-LLVKDONJSA-N 2 0 220.320 1.457 20 0 BDADRP CC1(C)CC[C@@H]([NH2+]CCN2CC[NH2+]CC2)C1 ZINC000129588511 591330238 /nfs/dbraw/zinc/33/02/38/591330238.db2.gz IAFOXRGPXCZQFG-GFCCVEGCSA-N 2 0 225.380 1.060 20 0 BDADRP [NH3+]CCCCCCC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000129758508 591393081 /nfs/dbraw/zinc/39/30/81/591393081.db2.gz URZBEYVGKCPDRB-GFCCVEGCSA-N 2 0 241.379 1.011 20 0 BDADRP COC[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000883315132 591611792 /nfs/dbraw/zinc/61/17/92/591611792.db2.gz YTVHYBOHYJBKMF-UPJWGTAASA-N 2 0 240.391 1.874 20 0 BDADRP c1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)sn1 ZINC000883424118 591659029 /nfs/dbraw/zinc/65/90/29/591659029.db2.gz GQBXLLNOICHCDT-UHFFFAOYSA-N 2 0 237.372 1.719 20 0 BDADRP CC[N@@H+]1C[C@H](C)N(C[C@@H]2C[C@H](F)C[NH2+]2)C[C@H]1C ZINC000883430731 591661792 /nfs/dbraw/zinc/66/17/92/591661792.db2.gz AZWYRQXLRGTNNR-VOAKCMCISA-N 2 0 243.370 1.101 20 0 BDADRP Cn1cc(C2C[C@H]3CC[C@@H](C2)[N@H+]3CCC[NH3+])cn1 ZINC000883461510 591673753 /nfs/dbraw/zinc/67/37/53/591673753.db2.gz WTETWXCXAXFQOW-QXMXGUDHSA-N 2 0 248.374 1.479 20 0 BDADRP CC(C)[C@@H]([NH3+])CNC(=O)C(C)(C)[C@@H]([NH3+])C(C)C ZINC000884034705 591817248 /nfs/dbraw/zinc/81/72/48/591817248.db2.gz KEANBGVVPSIQRJ-QWRGUYRKSA-N 2 0 243.395 1.095 20 0 BDADRP CC1(C)C[NH2+]C[C@@H]1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000884253859 591885060 /nfs/dbraw/zinc/88/50/60/591885060.db2.gz WZMURJZVNVOOAL-GFCCVEGCSA-N 2 0 247.342 1.329 20 0 BDADRP [NH3+][C@H](CC1CC1)C(=O)N1CCC[C@H]1c1ncc[nH]1 ZINC000884331450 591904447 /nfs/dbraw/zinc/90/44/47/591904447.db2.gz NVUAESSAUSCHPF-MNOVXSKESA-N 2 0 248.330 1.201 20 0 BDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)CCCCCC[NH3+] ZINC000884347934 591908407 /nfs/dbraw/zinc/90/84/07/591908407.db2.gz KDPBHDRMSMSGBG-QWRGUYRKSA-N 2 0 241.379 1.138 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)CCCCCC[NH3+] ZINC000884347933 591908904 /nfs/dbraw/zinc/90/89/04/591908904.db2.gz KDPBHDRMSMSGBG-MNOVXSKESA-N 2 0 241.379 1.138 20 0 BDADRP C[NH+](C)C1CC[NH+](C[C@H]2C[C@]23CCOC3)CC1 ZINC000885953864 592114863 /nfs/dbraw/zinc/11/48/63/592114863.db2.gz HRLCZPHNMSLKFM-OCCSQVGLSA-N 2 0 238.375 1.439 20 0 BDADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1C[C@@H]2C[C@@H]2C1 ZINC000886330323 592210642 /nfs/dbraw/zinc/21/06/42/592210642.db2.gz QOBBQSULZDHYAD-XQQFMLRXSA-N 2 0 208.349 1.813 20 0 BDADRP C[N@H+](C[C@H]1C[C@]12CCOC2)C1CCC([NH3+])CC1 ZINC000886830393 592353563 /nfs/dbraw/zinc/35/35/63/592353563.db2.gz QFBKWXLPOSZXPL-RYSNWHEDSA-N 2 0 238.375 1.615 20 0 BDADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@@H]1C[C@]12CCOC2 ZINC000886838550 592357968 /nfs/dbraw/zinc/35/79/68/592357968.db2.gz ZSYIKGDUPWBJKH-IHRRRGAJSA-N 2 0 238.375 1.616 20 0 BDADRP [NH3+]CCC1CC[NH+](C[C@H]2C[C@]23CCOC3)CC1 ZINC000886840261 592361443 /nfs/dbraw/zinc/36/14/43/592361443.db2.gz XWDUBWXGJSXPPM-KGLIPLIRSA-N 2 0 238.375 1.474 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886859839 592372261 /nfs/dbraw/zinc/37/22/61/592372261.db2.gz HDGVUBVSASBEGR-KGLIPLIRSA-N 2 0 238.375 1.487 20 0 BDADRP COCCCC[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886872398 592377944 /nfs/dbraw/zinc/37/79/44/592377944.db2.gz RKMADFJPMHIRLU-CQSZACIVSA-N 2 0 240.391 1.879 20 0 BDADRP COC[C@@H](C)[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886872478 592378225 /nfs/dbraw/zinc/37/82/25/592378225.db2.gz SYQZLIMOVJOACB-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccccc2)CC[N@@H+]1C ZINC000221734909 592445070 /nfs/dbraw/zinc/44/50/70/592445070.db2.gz MMILFXRAWYPNRF-BPLDGKMQSA-N 2 0 248.370 1.792 20 0 BDADRP [NH2+]=C(NCC[NH+]1CCCCCC1)NCC1CC1 ZINC000887348387 592484914 /nfs/dbraw/zinc/48/49/14/592484914.db2.gz GZEPQSMZJVJGDN-UHFFFAOYSA-N 2 0 238.379 1.386 20 0 BDADRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])NCC(F)F)C1 ZINC000887351034 592485290 /nfs/dbraw/zinc/48/52/90/592485290.db2.gz DIHADIGWCFCTSF-SECBINFHSA-N 2 0 248.321 1.097 20 0 BDADRP CC(C)(C)[NH2+]CCCNC(=[NH2+])NCC(F)F ZINC000887351765 592486080 /nfs/dbraw/zinc/48/60/80/592486080.db2.gz ZWDCQTQVCJUTDI-UHFFFAOYSA-N 2 0 236.310 1.144 20 0 BDADRP C[N@H+](CCNC(=[NH2+])NCC1CC1)C1CCCC1 ZINC000887353768 592487166 /nfs/dbraw/zinc/48/71/66/592487166.db2.gz BPWBCYGWVQNTGT-UHFFFAOYSA-N 2 0 238.379 1.385 20 0 BDADRP CCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(F)F ZINC000887359119 592489955 /nfs/dbraw/zinc/48/99/55/592489955.db2.gz GHFKAJFPRLYWFY-VIFPVBQESA-N 2 0 248.321 1.240 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCCCCCO)C[C@H]21 ZINC000300417762 592512670 /nfs/dbraw/zinc/51/26/70/592512670.db2.gz NAGTYEZEGSWHHS-BFHYXJOUSA-N 2 0 240.391 1.598 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000925707354 634393766 /nfs/dbraw/zinc/39/37/66/634393766.db2.gz PNMWRYZRECZELU-LBPRGKRZSA-N 3 0 223.364 1.026 20 0 BDADRP C[C@H]1COC[C@H](C)C1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000925707301 634394335 /nfs/dbraw/zinc/39/43/35/634394335.db2.gz OZMXXGYNYXGRFR-RYUDHWBXSA-N 2 0 238.375 1.509 20 0 BDADRP C[C@H]([NH3+])[C@H](C)N[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925707536 634395818 /nfs/dbraw/zinc/39/58/18/634395818.db2.gz LBWPGZUJPSXJHQ-HHHUOAJASA-N 2 0 225.380 1.088 20 0 BDADRP C1CCC([C@H]2C[NH2+]CC[C@H]2N[C@H]2CC[NH2+]C2)C1 ZINC000925707990 634397881 /nfs/dbraw/zinc/39/78/81/634397881.db2.gz AUJRBTCSJJCNBV-BFHYXJOUSA-N 2 0 237.391 1.106 20 0 BDADRP Cc1cc(N)cc(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925710581 634407186 /nfs/dbraw/zinc/40/71/86/634407186.db2.gz QGFBPYNQNPATPF-UONOGXRCSA-N 2 0 245.370 1.937 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1CC[C@H](C[NH3+])C1)[NH2+]2 ZINC000925713742 634418574 /nfs/dbraw/zinc/41/85/74/634418574.db2.gz YQOIFQAKTQHIEF-WZBKEBKWSA-N 3 0 237.391 1.232 20 0 BDADRP CC(C)C[N@H+](C)CCCN[C@H]1CC[NH2+]C1(C)C ZINC000925714209 634420547 /nfs/dbraw/zinc/42/05/47/634420547.db2.gz WZAMRQVSYHMORX-ZDUSSCGKSA-N 2 0 241.423 1.694 20 0 BDADRP C[NH2+]C[C@H](C)[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000925715652 634443442 /nfs/dbraw/zinc/44/34/42/634443442.db2.gz GNKVQDSUTSPEIS-UMSGYPCISA-N 2 0 226.364 1.389 20 0 BDADRP C[C@@H]1CC[C@@H](N[C@H]2CC[NH2+]C23CCCC3)C[NH2+]1 ZINC000925717507 634454945 /nfs/dbraw/zinc/45/49/45/634454945.db2.gz KNXHSOPRUMCNKM-UPJWGTAASA-N 2 0 237.391 1.391 20 0 BDADRP CC[C@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CCS1 ZINC000253075492 634476338 /nfs/dbraw/zinc/47/63/38/634476338.db2.gz QMGOANQNZWKVHO-NEPJUHHUSA-N 2 0 228.405 1.813 20 0 BDADRP CN(CC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)CC(F)F ZINC000925725231 634508686 /nfs/dbraw/zinc/50/86/86/634508686.db2.gz RWYVBNCDAOJDSX-ZJUUUORDSA-N 2 0 247.333 1.043 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)C1 ZINC000925726765 634523358 /nfs/dbraw/zinc/52/33/58/634523358.db2.gz LNGATNBCLPEERS-XGFWRYKXSA-N 2 0 238.375 1.519 20 0 BDADRP CC1(C)C[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C[C@@H]([NH3+])C1 ZINC000925727446 634526440 /nfs/dbraw/zinc/52/64/40/634526440.db2.gz PSXAHKMXWLBDQJ-KKOKHZNYSA-N 3 0 225.380 1.219 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000925727449 634526006 /nfs/dbraw/zinc/52/60/06/634526006.db2.gz PSXAHKMXWLBDQJ-WHOHXGKFSA-N 3 0 225.380 1.219 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000925727448 634526603 /nfs/dbraw/zinc/52/66/03/634526603.db2.gz PSXAHKMXWLBDQJ-USZNOCQGSA-N 3 0 225.380 1.219 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCN[C@H]1C)C1CC[NH2+]CC1 ZINC000925730240 634555022 /nfs/dbraw/zinc/55/50/22/634555022.db2.gz VDQBRIGLPZNCIK-GMXVVIOVSA-N 2 0 225.380 1.105 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CC2CC([NH3+])C2)C1 ZINC000925730667 634557783 /nfs/dbraw/zinc/55/77/83/634557783.db2.gz PSXAHKMXWLBDQJ-KIDURHIOSA-N 3 0 225.380 1.219 20 0 BDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CC[N@H+](C)C1 ZINC000093516019 634559126 /nfs/dbraw/zinc/55/91/26/634559126.db2.gz CZBHCOBYFQXUSM-MGPQQGTHSA-N 2 0 239.407 1.591 20 0 BDADRP C[NH+]1CCC(C[NH2+]C(C)(C)CCO)CC1 ZINC000125624885 634603515 /nfs/dbraw/zinc/60/35/15/634603515.db2.gz KJYJATAMADPQIM-UHFFFAOYSA-N 2 0 214.353 1.079 20 0 BDADRP Cc1ccc(OCC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000107572795 635399268 /nfs/dbraw/zinc/39/92/68/635399268.db2.gz GPMWGFFLDBRDJY-ZIAGYGMSSA-N 2 0 246.354 1.525 20 0 BDADRP COC[C@@H]1CC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000227077297 635446610 /nfs/dbraw/zinc/44/66/10/635446610.db2.gz AJQQHKHJSNMZKC-OLZOCXBDSA-N 2 0 226.364 1.344 20 0 BDADRP C1=C[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]2CO[C@@H]1C2 ZINC000925829996 635465447 /nfs/dbraw/zinc/46/54/47/635465447.db2.gz HXBUXUXYNCIQAY-WNYUJSQKSA-N 2 0 248.370 1.450 20 0 BDADRP CSCC[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000228911695 635466015 /nfs/dbraw/zinc/46/60/15/635466015.db2.gz SMVRPFKNPLRHGC-NEPJUHHUSA-N 2 0 246.420 1.174 20 0 BDADRP C[N@H+](CC1CC[NH+](C)CC1)CC(C)(C)O ZINC000063121329 635469246 /nfs/dbraw/zinc/46/92/46/635469246.db2.gz QFVNMAINBGKNRU-UHFFFAOYSA-N 2 0 214.353 1.031 20 0 BDADRP Cc1cc(CC[NH2+][C@@H](C)CCCC[NH3+])nn1C ZINC000925835756 635485468 /nfs/dbraw/zinc/48/54/68/635485468.db2.gz VGRCDDHBDURVCA-NSHDSACASA-N 2 0 238.379 1.378 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+]CCC(C)(C)[NH3+])C1(C)C ZINC000233777976 635542593 /nfs/dbraw/zinc/54/25/93/635542593.db2.gz FONHFJPAWIDMRO-MNOVXSKESA-N 2 0 228.380 1.907 20 0 BDADRP COCCC(C)(C)C[NH2+]CC1CC[NH+](C)CC1 ZINC000234622539 635555789 /nfs/dbraw/zinc/55/57/89/635555789.db2.gz PJALWDNPJHTWMI-UHFFFAOYSA-N 2 0 242.407 1.981 20 0 BDADRP Cc1ccc(NCC[NH2+][C@H]2CCC[C@H]2[NH3+])nc1 ZINC000925878215 635605676 /nfs/dbraw/zinc/60/56/76/635605676.db2.gz RRZUJOJEOFKCNG-NEPJUHHUSA-N 2 0 234.347 1.271 20 0 BDADRP C[C@@H]([NH2+]CCCCCC[NH3+])C1CC[NH+](C)CC1 ZINC000843340971 635625183 /nfs/dbraw/zinc/62/51/83/635625183.db2.gz AZTQFHAWYRQRMF-CYBMUJFWSA-N 3 0 241.423 1.825 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccnn1C ZINC000925880887 635610868 /nfs/dbraw/zinc/61/08/68/635610868.db2.gz WIWFGKCGNLYWGL-MXWKQRLJSA-N 2 0 222.336 1.198 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ncc[nH]1 ZINC000925882643 635611068 /nfs/dbraw/zinc/61/10/68/635611068.db2.gz ONZJYQMPVOPNAP-BBBLOLIVSA-N 2 0 208.309 1.188 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCCSC[C@H]1C ZINC000934297550 631763053 /nfs/dbraw/zinc/76/30/53/631763053.db2.gz HRJWCXBBSVNOKE-NEPJUHHUSA-N 2 0 246.420 1.126 20 0 BDADRP C[C@@H]1C[C@H](NCCC(C)(C)[NH3+])CC[N@@H+]1C ZINC000308969607 631774481 /nfs/dbraw/zinc/77/44/81/631774481.db2.gz ONGUOWSKSYNQKV-GHMZBOCLSA-N 2 0 213.369 1.186 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCc2ccccc2C1 ZINC000111273146 631861730 /nfs/dbraw/zinc/86/17/30/631861730.db2.gz PZJKABHXLLMNJO-DOMZBBRYSA-N 2 0 230.355 1.900 20 0 BDADRP CC[C@H](CO)[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000049752936 631914257 /nfs/dbraw/zinc/91/42/57/631914257.db2.gz XEKCHCHNOYPXCX-VXGBXAGGSA-N 2 0 214.353 1.221 20 0 BDADRP COc1cccc(C[N@@H+]2CC[C@H](CC[NH3+])C2)c1 ZINC000075072493 632031091 /nfs/dbraw/zinc/03/10/91/632031091.db2.gz WKKUCAIRMOFXNO-LBPRGKRZSA-N 2 0 234.343 1.866 20 0 BDADRP C[C@H]1CCCC[N@@H+]1CCCNC(=[NH2+])NC1CC1 ZINC000052041120 632051015 /nfs/dbraw/zinc/05/10/15/632051015.db2.gz JHJYMNBSTKCKJK-NSHDSACASA-N 2 0 238.379 1.527 20 0 BDADRP CC(C)[NH+](CCNC(=[NH2+])NC1CC1)C(C)C ZINC000052040835 632052663 /nfs/dbraw/zinc/05/26/63/632052663.db2.gz BJOQFDZLIAEMLT-UHFFFAOYSA-N 2 0 226.368 1.382 20 0 BDADRP CCNC(=[NH2+])NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000052043345 632054665 /nfs/dbraw/zinc/05/46/65/632054665.db2.gz PCMBKOVEPPNKBI-AAEUAGOBSA-N 2 0 240.395 1.631 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)CC[C@H]1[NH3+] ZINC000251873725 635707126 /nfs/dbraw/zinc/70/71/26/635707126.db2.gz UFJSFHSBECHLDI-MRVWCRGKSA-N 2 0 234.343 1.389 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000924964853 635813460 /nfs/dbraw/zinc/81/34/60/635813460.db2.gz RECBFHHNDKZQMA-WORDMNGFSA-N 2 0 249.402 1.153 20 0 BDADRP CN(C[C@H]1CCC[N@@H+]1C)C[C@]1(C)CC[NH2+]C1 ZINC000252578381 632553344 /nfs/dbraw/zinc/55/33/44/632553344.db2.gz LCDOCJHWARELDQ-CHWSQXEVSA-N 2 0 225.380 1.012 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+]C[C@@H]2CCCCO2)CC[NH2+]1 ZINC000235379589 632681277 /nfs/dbraw/zinc/68/12/77/632681277.db2.gz VAUMYMISDRSWQE-UPJWGTAASA-N 2 0 226.364 1.533 20 0 BDADRP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCC2(CCC2)C1 ZINC000309983541 632689787 /nfs/dbraw/zinc/68/97/87/632689787.db2.gz PSJMEIGXRYHQFJ-CYBMUJFWSA-N 2 0 238.375 1.319 20 0 BDADRP C[C@@H]1OCC[C@@]1(C)[NH2+]CC1CC[NH+](C)CC1 ZINC000235438862 632736537 /nfs/dbraw/zinc/73/65/37/632736537.db2.gz OVJFCYWIHUXZJN-WCQYABFASA-N 2 0 226.364 1.485 20 0 BDADRP CC[NH+](CC)CCCNC(=[NH2+])NC(C)C ZINC000052041267 632780402 /nfs/dbraw/zinc/78/04/02/632780402.db2.gz UWUBUJXFXPNHFH-UHFFFAOYSA-N 2 0 214.357 1.241 20 0 BDADRP CCCC[N@H+](CCO)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000309451005 633084028 /nfs/dbraw/zinc/08/40/28/633084028.db2.gz MNPNOTDELAQEIQ-NEPJUHHUSA-N 2 0 214.353 1.208 20 0 BDADRP CC(C)COCC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000309474586 633132851 /nfs/dbraw/zinc/13/28/51/633132851.db2.gz UTXVRHRFUNRWBU-QWHCGFSZSA-N 2 0 226.364 1.200 20 0 BDADRP CCN1CC[C@@H]([NH2+]CC2CC[NH+](C)CC2)C1 ZINC000328150575 633734758 /nfs/dbraw/zinc/73/47/58/633734758.db2.gz DHUGLIVHLOUBSL-CYBMUJFWSA-N 2 0 225.380 1.012 20 0 BDADRP CC(C)SCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328525484 633771675 /nfs/dbraw/zinc/77/16/75/633771675.db2.gz IZXHVFOEMQPSDC-OBPIAQAESA-N 2 0 240.416 1.714 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000328508004 633773861 /nfs/dbraw/zinc/77/38/61/633773861.db2.gz ZELCQTCGROWTJM-VTAXGKEESA-N 2 0 220.360 1.761 20 0 BDADRP COC[C@H](C)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000053172159 633876482 /nfs/dbraw/zinc/87/64/82/633876482.db2.gz DNBYOIAVILFMKG-QWHCGFSZSA-N 2 0 228.380 1.875 20 0 BDADRP CC(C)COCCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925520348 633883548 /nfs/dbraw/zinc/88/35/48/633883548.db2.gz RPRMYRVTWPNSRO-CYBMUJFWSA-N 2 0 240.391 1.923 20 0 BDADRP CC[C@@H](CCO)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925539069 633947317 /nfs/dbraw/zinc/94/73/17/633947317.db2.gz GIYRHOVVBACTQC-QWRGUYRKSA-N 2 0 214.353 1.125 20 0 BDADRP CC1(C)C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCCO1 ZINC000309547215 633950988 /nfs/dbraw/zinc/95/09/88/633950988.db2.gz HDLMSKIEDKZQHF-NEPJUHHUSA-N 2 0 226.364 1.615 20 0 BDADRP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)CC1CCCC1 ZINC000309982839 634026219 /nfs/dbraw/zinc/02/62/19/634026219.db2.gz AEUNPZKNQITXHY-CQSZACIVSA-N 2 0 240.391 1.565 20 0 BDADRP C[C@@H](CCO)[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925610116 634147152 /nfs/dbraw/zinc/14/71/52/634147152.db2.gz CMSDJNUBCWJVRW-USZNOCQGSA-N 2 0 226.364 1.124 20 0 BDADRP C[C@H](CCO)[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925611576 634151130 /nfs/dbraw/zinc/15/11/30/634151130.db2.gz MZEUQAYLEZGANK-KWCYVHTRSA-N 2 0 240.391 1.515 20 0 BDADRP C[C@@H](CN[C@H]1CC[NH2+]C1(C)C)[NH+]1CCCCC1 ZINC000925613543 634154166 /nfs/dbraw/zinc/15/41/66/634154166.db2.gz RYPXOVYMYZTQRT-STQMWFEESA-N 2 0 239.407 1.591 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C2(C)C)CCO1 ZINC000925616381 634162256 /nfs/dbraw/zinc/16/22/56/634162256.db2.gz RXHHAIZNSAADEX-FRRDWIJNSA-N 2 0 240.391 1.920 20 0 BDADRP CC1(C)[C@@H](O)C[C@@H]1[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925647528 634203995 /nfs/dbraw/zinc/20/39/95/634203995.db2.gz ZMPBHEYYNVTNIR-RHYQMDGZSA-N 2 0 240.391 1.641 20 0 BDADRP CC(C)(CO)CC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925679686 634276612 /nfs/dbraw/zinc/27/66/12/634276612.db2.gz LPTYOKGYANHMGT-GFCCVEGCSA-N 2 0 240.391 1.659 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CC12CCOCC2 ZINC000925682122 634284672 /nfs/dbraw/zinc/28/46/72/634284672.db2.gz SZQWTKZTAYSGOP-RYUDHWBXSA-N 2 0 238.375 1.533 20 0 BDADRP COCC[C@H](C)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925686902 634299739 /nfs/dbraw/zinc/29/97/39/634299739.db2.gz XKPMUBHPGKYTIT-SNIKSBKOSA-N 2 0 238.375 1.245 20 0 BDADRP CC[NH2+]CCCN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925689824 634309192 /nfs/dbraw/zinc/30/91/92/634309192.db2.gz IRYXEAGHNHUVOD-NEPJUHHUSA-N 2 0 227.396 1.482 20 0 BDADRP COCC(COC)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925692493 634325064 /nfs/dbraw/zinc/32/50/64/634325064.db2.gz QJIBRYXSEBVRDT-WDEREUQCSA-N 2 0 244.379 1.143 20 0 BDADRP C(N[C@H]1CC[NH2+]C12CCCC2)[C@@H]1CCC[NH2+]1 ZINC000925692588 634325535 /nfs/dbraw/zinc/32/55/35/634325535.db2.gz NBJDDIIKANUDJF-RYUDHWBXSA-N 2 0 223.364 1.003 20 0 BDADRP CCC([NH3+])(CC)CN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925696822 634357100 /nfs/dbraw/zinc/35/71/00/634357100.db2.gz BFMJUDPQNYGRDS-GHMZBOCLSA-N 2 0 225.380 1.363 20 0 BDADRP CC1(C)[C@H](NC[C@H]([NH3+])C2CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925697011 634358959 /nfs/dbraw/zinc/35/89/59/634358959.db2.gz CVPHQMBTTLZQCW-MROQNXINSA-N 2 0 237.391 1.090 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@@H]1CC[NH2+]C1(C)C ZINC000925698078 634360924 /nfs/dbraw/zinc/36/09/24/634360924.db2.gz IBMYSCSPNOGJPZ-GHMZBOCLSA-N 2 0 213.369 1.234 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H](NCC2([NH3+])CCC2)C1 ZINC000925699698 634368475 /nfs/dbraw/zinc/36/84/75/634368475.db2.gz PRHAFMJONIPJFW-GHMZBOCLSA-N 2 0 225.380 1.363 20 0 BDADRP C[C@H]([NH3+])CN[C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925699679 634368933 /nfs/dbraw/zinc/36/89/33/634368933.db2.gz LNZDDEFUDMTFLG-NHCYSSNCSA-N 2 0 207.321 1.012 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925699940 634369251 /nfs/dbraw/zinc/36/92/51/634369251.db2.gz QNQJBPKHBVEXIJ-WOPDTQHZSA-N 2 0 225.380 1.363 20 0 BDADRP [NH3+][C@H]1C[C@@H](N[C@H]2CCC[C@@H]([NH3+])C2)C12CCC2 ZINC000925700526 634370176 /nfs/dbraw/zinc/37/01/76/634370176.db2.gz QZJRVJZNOKLZLN-NOOOWODRSA-N 2 0 223.364 1.116 20 0 BDADRP Cc1noc(C)c1C[N@H+](C)CC1CC[NH2+]CC1 ZINC000094010964 635159947 /nfs/dbraw/zinc/15/99/47/635159947.db2.gz WJUPNILJAJAVAU-UHFFFAOYSA-N 2 0 237.347 1.723 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@]23CCCO3)C1 ZINC000925771747 635209540 /nfs/dbraw/zinc/20/95/40/635209540.db2.gz CTFCOEJBTQMFGA-FQUUOJAGSA-N 2 0 238.375 1.948 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[C@]23CCCO3)C1 ZINC000925771754 635209634 /nfs/dbraw/zinc/20/96/34/635209634.db2.gz CTFCOEJBTQMFGA-SYQHCUMBSA-N 2 0 238.375 1.948 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@]23CCCO3)C1 ZINC000925771750 635209767 /nfs/dbraw/zinc/20/97/67/635209767.db2.gz CTFCOEJBTQMFGA-RQJABVFESA-N 2 0 238.375 1.948 20 0 BDADRP C(C[C@H]1CCCO1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000925774236 635234363 /nfs/dbraw/zinc/23/43/63/635234363.db2.gz LOENNWGHGRCSHB-REWJHTLYSA-N 2 0 238.375 1.533 20 0 BDADRP C[C@H](Cc1cnccn1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000925777494 635261453 /nfs/dbraw/zinc/26/14/53/635261453.db2.gz FBFQNJUEIONYBD-GRYCIOLGSA-N 2 0 234.347 1.267 20 0 BDADRP CC1(O)CCC([NH2+][C@H]2CCC[C@H]2[NH3+])CC1 ZINC000925781887 635275585 /nfs/dbraw/zinc/27/55/85/635275585.db2.gz ZAIMFTCYOXUMPA-UPOSSJBDSA-N 2 0 212.337 1.149 20 0 BDADRP COCC[C@H]1CCC[C@H]1[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925786001 635302139 /nfs/dbraw/zinc/30/21/39/635302139.db2.gz RCXBMZQSHWBDAC-YIYPIFLZSA-N 2 0 240.391 1.637 20 0 BDADRP CO[C@@H]1[C@@H](C)[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)C1(C)C ZINC000925787218 635306968 /nfs/dbraw/zinc/30/69/68/635306968.db2.gz XPHSBXSAMHJWAI-QNWJLWSRSA-N 2 0 240.391 1.491 20 0 BDADRP CC(C)CC[C@@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925808655 635362331 /nfs/dbraw/zinc/36/23/31/635362331.db2.gz CGPXTXLLANBPRK-CYBMUJFWSA-N 2 0 241.423 1.824 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000925856766 635547347 /nfs/dbraw/zinc/54/73/47/635547347.db2.gz LBEMFUQCQLBLAQ-NEPJUHHUSA-N 2 0 214.353 1.269 20 0 BDADRP COC[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])C(C)C ZINC000925873895 635594659 /nfs/dbraw/zinc/59/46/59/635594659.db2.gz MWGOWPVMMHGWJI-FRRDWIJNSA-N 2 0 228.380 1.622 20 0 BDADRP CCc1onc(C)c1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000925891682 635618018 /nfs/dbraw/zinc/61/80/18/635618018.db2.gz WSQPPSZRKISSAN-PWSUYJOCSA-N 2 0 237.347 1.762 20 0 BDADRP C[C@@]1(C[NH3+])CC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC000310369584 635737585 /nfs/dbraw/zinc/73/75/85/635737585.db2.gz NGJSZPRCFJYIMS-KGLIPLIRSA-N 2 0 234.343 1.391 20 0 BDADRP CO[C@H]1CCC[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000054243849 636245189 /nfs/dbraw/zinc/24/51/89/636245189.db2.gz YMQXZMHAZSNRMP-OLZOCXBDSA-N 2 0 226.364 1.485 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000870938433 636383904 /nfs/dbraw/zinc/38/39/04/636383904.db2.gz OLKVWBDHKMEMAI-UTUOFQBUSA-N 2 0 241.379 1.138 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCCS1 ZINC000925258484 636543862 /nfs/dbraw/zinc/54/38/62/636543862.db2.gz PAEKVTZRPKBZHM-DAAZQVBGSA-N 2 0 240.416 1.812 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C2CC(CCO)C2)[C@@H](C)C1 ZINC000898010407 636851396 /nfs/dbraw/zinc/85/13/96/636851396.db2.gz GDESALSWIMXMDM-ABXWRUBCSA-N 2 0 240.391 1.467 20 0 BDADRP CON1CCC([NH2+]CC(C)(C)C[NH+](C)C)CC1 ZINC000323490293 636993922 /nfs/dbraw/zinc/99/39/22/636993922.db2.gz MFWJVVRERSWDOS-UHFFFAOYSA-N 2 0 243.395 1.190 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)C(C)(C)CO)C1 ZINC000924706589 637015036 /nfs/dbraw/zinc/01/50/36/637015036.db2.gz QEDGGYVBSQOTEG-NWDGAFQWSA-N 2 0 228.380 1.325 20 0 BDADRP C[C@@H](CCO)C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902362498 637298747 /nfs/dbraw/zinc/29/87/47/637298747.db2.gz XLTPAPHUTICIDN-RYUDHWBXSA-N 2 0 228.380 1.373 20 0 BDADRP CC(C)C[C@H]1COCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903437949 637362383 /nfs/dbraw/zinc/36/23/83/637362383.db2.gz OSLGIUOSJCVSPJ-RDBSUJKOSA-N 2 0 240.391 1.861 20 0 BDADRP C[C@@]12COC[C@@H]1C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C2 ZINC000903463757 637364422 /nfs/dbraw/zinc/36/44/22/637364422.db2.gz LQYVGQDLGQRNSU-MROQNXINSA-N 2 0 224.348 1.082 20 0 BDADRP CCC[C@H](C)[N@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903721936 637379892 /nfs/dbraw/zinc/37/98/92/637379892.db2.gz GGZAGHDORCOKFQ-BFHYXJOUSA-N 2 0 240.391 1.875 20 0 BDADRP C(CN1CCC[C@@]12CC[NH2+]C2)[C@H]1CCC[NH2+]C1 ZINC000903867315 637386649 /nfs/dbraw/zinc/38/66/49/637386649.db2.gz PDAIBUKFUDFEHY-KGLIPLIRSA-N 2 0 237.391 1.204 20 0 BDADRP C(CN1CCC[C@]12CC[NH2+]C2)C1CC[NH2+]CC1 ZINC000903865709 637386773 /nfs/dbraw/zinc/38/67/73/637386773.db2.gz FGFJNOTVPKFBFU-CQSZACIVSA-N 2 0 237.391 1.204 20 0 BDADRP C[C@]1(CN2CC[C@@]3(C2)CCCC[NH2+]3)CC[NH2+]C1 ZINC000904431036 637400822 /nfs/dbraw/zinc/40/08/22/637400822.db2.gz WNTJNJLFNOEVPA-UONOGXRCSA-N 2 0 237.391 1.204 20 0 BDADRP CC(C)(C[NH3+])C1CC[NH+](CC2(C[NH3+])CC2)CC1 ZINC000904442558 637411576 /nfs/dbraw/zinc/41/15/76/637411576.db2.gz DBKRQMPFXSAZSK-UHFFFAOYSA-N 3 0 239.407 1.422 20 0 BDADRP CC[C@@H]1C[C@@H](C[NH2+]CC2([NH3+])CC2)CCO1 ZINC000904448555 637414532 /nfs/dbraw/zinc/41/45/32/637414532.db2.gz BDYJQWGLOFCZHK-WDEREUQCSA-N 2 0 212.337 1.273 20 0 BDADRP CC(C)([NH3+])c1ccc(N[C@H]2CC[NH2+]C2)cc1 ZINC000904475063 637425863 /nfs/dbraw/zinc/42/58/63/637425863.db2.gz HLJKRJVSJJTIGF-LBPRGKRZSA-N 2 0 219.332 1.654 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2COC[C@H]2C2CC2)CC[NH2+]1 ZINC000904475512 637426534 /nfs/dbraw/zinc/42/65/34/637426534.db2.gz LGOOCOZTBBWTNL-MHDGFBEUSA-N 2 0 238.375 1.389 20 0 BDADRP [NH3+]Cc1ccccc1NCC1CC[NH2+]CC1 ZINC000904486632 637428155 /nfs/dbraw/zinc/42/81/55/637428155.db2.gz WNDSUMGQSVZBQN-UHFFFAOYSA-N 2 0 219.332 1.557 20 0 BDADRP CC1(C)C[NH2+]C[C@@H]1c1nc(C2([NH3+])CCC2)no1 ZINC000905303514 637761666 /nfs/dbraw/zinc/76/16/66/637761666.db2.gz BXKKQMTWAOUDJY-MRVPVSSYSA-N 2 0 236.319 1.121 20 0 BDADRP CC1(C)C[NH2+]C[C@H]1c1nc([C@H]2CCC[NH2+]2)no1 ZINC000905304972 637761943 /nfs/dbraw/zinc/76/19/43/637761943.db2.gz PRGSFUZWKJFNKG-DTWKUNHWSA-N 2 0 236.319 1.207 20 0 BDADRP O[C@@H](C[NH2+]C[C@]12C[C@H]1CCC2)C[NH+]1CCCC1 ZINC000905620615 637860344 /nfs/dbraw/zinc/86/03/44/637860344.db2.gz DBRQSIHUFOAEMD-RDBSUJKOSA-N 2 0 238.375 1.223 20 0 BDADRP O[C@H](C[NH2+][C@@H]1C[C@H]2CCC[C@H]21)C[NH+]1CCCC1 ZINC000905665037 637875138 /nfs/dbraw/zinc/87/51/38/637875138.db2.gz GGIWRQUBKUTUAH-AAVRWANBSA-N 2 0 238.375 1.221 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc3ncccc3c2)C1 ZINC000906508365 638179537 /nfs/dbraw/zinc/17/95/37/638179537.db2.gz PMJTUGYQWFMGPA-JOCQHMNTSA-N 2 0 227.311 1.814 20 0 BDADRP [NH3+]C1CC([NH2+]Cc2cccc3c2NCC3)C1 ZINC000906511238 638183627 /nfs/dbraw/zinc/18/36/27/638183627.db2.gz ZYUFEMLHWGOYFD-UHFFFAOYSA-N 2 0 217.316 1.234 20 0 BDADRP [NH3+]C1CC([NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000906511484 638185541 /nfs/dbraw/zinc/18/55/41/638185541.db2.gz XAJHKRZADNWKBB-UHFFFAOYSA-N 2 0 246.354 1.633 20 0 BDADRP CCCC[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000906528002 638192951 /nfs/dbraw/zinc/19/29/51/638192951.db2.gz QZQUTYCQUSUYJL-ZDUSSCGKSA-N 2 0 228.380 1.877 20 0 BDADRP CCCC[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000906529257 638195206 /nfs/dbraw/zinc/19/52/06/638195206.db2.gz JUSLYRWYPCOVSY-ZDUSSCGKSA-N 2 0 227.396 1.260 20 0 BDADRP CO[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CC[C@@H]1C ZINC000230309521 638591038 /nfs/dbraw/zinc/59/10/38/638591038.db2.gz SLPQZGWINJSYIL-WCQYABFASA-N 2 0 226.364 1.343 20 0 BDADRP C[C@@H]1CC[C@@H](C[N@@H+]2CCC[C@H](C[NH3+])C2)O1 ZINC000149750115 639110549 /nfs/dbraw/zinc/11/05/49/639110549.db2.gz UUZLDKVZQWIUJM-UTUOFQBUSA-N 2 0 212.337 1.225 20 0 BDADRP C([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C1CCC1 ZINC000382193066 711473791 /nfs/dbraw/zinc/47/37/91/711473791.db2.gz HYOWHSJXEMDYND-OBPIAQAESA-N 2 0 206.333 1.373 20 0 BDADRP C[NH2+]CCCCC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000911684057 639726021 /nfs/dbraw/zinc/72/60/21/639726021.db2.gz LEGDTPFGSFKQNY-RYUDHWBXSA-N 2 0 241.379 1.104 20 0 BDADRP C[NH2+]Cc1ccccc1NC(=O)CC(C)(C)C[NH3+] ZINC000911682881 639726446 /nfs/dbraw/zinc/72/64/46/639726446.db2.gz QUMIRRZOZAEDJF-UHFFFAOYSA-N 2 0 249.358 1.720 20 0 BDADRP CC(C)(C)[C@@H]([NH3+])CC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000911713472 639739668 /nfs/dbraw/zinc/73/96/68/639739668.db2.gz IVLVQMRMRGIWTC-MNOVXSKESA-N 2 0 241.379 1.008 20 0 BDADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000911722404 639746470 /nfs/dbraw/zinc/74/64/70/639746470.db2.gz ROHWDKYAIUTFCC-QJPTWQEYSA-N 2 0 241.379 1.090 20 0 BDADRP CC(C)[NH2+]CCCNC(=O)C[C@H]([NH3+])C(C)(C)C ZINC000911763831 639791287 /nfs/dbraw/zinc/79/12/87/639791287.db2.gz MKYAFJZFPQGCBO-NSHDSACASA-N 2 0 243.395 1.254 20 0 BDADRP CC(C)C[C@@H]([NH3+])CC(=O)NCCC[NH2+]C(C)C ZINC000911761737 639802665 /nfs/dbraw/zinc/80/26/65/639802665.db2.gz GGFOCQAADXXCMA-GFCCVEGCSA-N 2 0 243.395 1.254 20 0 BDADRP CC[C@@H](CO)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000930602204 639817151 /nfs/dbraw/zinc/81/71/51/639817151.db2.gz MVYRQVIXEPDQKM-STQMWFEESA-N 2 0 226.364 1.175 20 0 BDADRP CC[C@H](CO)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000930602201 639817587 /nfs/dbraw/zinc/81/75/87/639817587.db2.gz MVYRQVIXEPDQKM-CHWSQXEVSA-N 2 0 226.364 1.175 20 0 BDADRP CC(C)C[C@](C)(C[NH3+])NC(=O)CC(C)(C)C[NH3+] ZINC000911828624 639840853 /nfs/dbraw/zinc/84/08/53/639840853.db2.gz BCQMGOFAEWHVSI-CYBMUJFWSA-N 2 0 243.395 1.241 20 0 BDADRP CC(C)[C@@](C)(C[NH3+])NC(=O)C[C@H]([NH3+])C(C)(C)C ZINC000911835342 639846810 /nfs/dbraw/zinc/84/68/10/639846810.db2.gz ZRSFRKCJLXDMMS-GXFFZTMASA-N 2 0 243.395 1.240 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)C[C@H]([NH3+])C(C)(C)C ZINC000911858865 639850249 /nfs/dbraw/zinc/85/02/49/639850249.db2.gz WCYMOBVTJZJWHH-JTQLQIEISA-N 2 0 243.395 1.384 20 0 BDADRP C[C@H]1COC[C@H]1[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000924844607 640002765 /nfs/dbraw/zinc/00/27/65/640002765.db2.gz VUKARYKENYRRHU-SMDDNHRTSA-N 2 0 238.375 1.628 20 0 BDADRP COC[C@H](C)N1CCc2[nH+]ccc(N)c2C1 ZINC000931512542 640243244 /nfs/dbraw/zinc/24/32/44/640243244.db2.gz JHTVIRXOBWEDDM-VIFPVBQESA-N 2 0 221.304 1.057 20 0 BDADRP C[N@@H+]1CCC[C@H]2[C@H]1CCN2CC[NH+]1CCCC1 ZINC000931622064 640294405 /nfs/dbraw/zinc/29/44/05/640294405.db2.gz ODOPUORFFQVQME-KGLIPLIRSA-N 2 0 237.391 1.251 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CN1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931718881 640333576 /nfs/dbraw/zinc/33/35/76/640333576.db2.gz GRBOLIUATJNENI-MCIONIFRSA-N 2 0 237.391 1.249 20 0 BDADRP CCCCOCCN1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931726461 640341359 /nfs/dbraw/zinc/34/13/59/640341359.db2.gz MLAFIUJBBPADGZ-KGLIPLIRSA-N 2 0 240.391 1.972 20 0 BDADRP C[NH+]1CCC(C[NH2+]Cc2cscn2)CC1 ZINC000044517037 640399099 /nfs/dbraw/zinc/39/90/99/640399099.db2.gz QSAFLULNARYUGC-UHFFFAOYSA-N 2 0 225.361 1.575 20 0 BDADRP C[NH+]1CCC(C[NH2+]Cc2cncs2)CC1 ZINC000054788387 640409074 /nfs/dbraw/zinc/40/90/74/640409074.db2.gz QYMYLDWJZVBUHM-UHFFFAOYSA-N 2 0 225.361 1.575 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@@H]2CCCC[NH+]2C)CCO1 ZINC000932348974 640489884 /nfs/dbraw/zinc/48/98/84/640489884.db2.gz CWLZMKAEWZITGZ-KGLIPLIRSA-N 2 0 240.391 1.972 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC000224882256 640644587 /nfs/dbraw/zinc/64/45/87/640644587.db2.gz IAMRDIPSTPLJLD-BPLDGKMQSA-N 2 0 248.370 1.779 20 0 BDADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000226314105 640746177 /nfs/dbraw/zinc/74/61/77/640746177.db2.gz CMHMUPBKLNAGEE-LSDHHAIUSA-N 2 0 248.370 1.923 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCC[NH2+]CC2)CC1 ZINC000226344809 640750966 /nfs/dbraw/zinc/75/09/66/640750966.db2.gz NXRWYBYUBVJKJN-CYBMUJFWSA-N 3 0 239.407 1.450 20 0 BDADRP CCOCCC[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933741582 640759129 /nfs/dbraw/zinc/75/91/29/640759129.db2.gz XPURAHYTPVSUHQ-QWHCGFSZSA-N 2 0 226.364 1.297 20 0 BDADRP C([C@H]1CCC[NH2+]1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000227093438 640815851 /nfs/dbraw/zinc/81/58/51/640815851.db2.gz MIHPOIYTGCWHQF-KGLIPLIRSA-N 2 0 237.391 1.299 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(CO)c1 ZINC000227457138 640834091 /nfs/dbraw/zinc/83/40/91/640834091.db2.gz RZIATJOLLFWXCS-KBPBESRZSA-N 2 0 234.343 1.396 20 0 BDADRP C[C@H](O)CCC[NH2+]CC1CC[NH+](C)CC1 ZINC000227587804 640841518 /nfs/dbraw/zinc/84/15/18/640841518.db2.gz WNZFHVYZUIOMSB-NSHDSACASA-N 2 0 214.353 1.079 20 0 BDADRP CCCCOCC[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000227767937 640848380 /nfs/dbraw/zinc/84/83/80/640848380.db2.gz RQFPVWYABRARRT-STQMWFEESA-N 2 0 228.380 1.720 20 0 BDADRP CC(C)(C)NC(=O)CC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000228335726 640870807 /nfs/dbraw/zinc/87/08/07/640870807.db2.gz GFABVYDYNSZTNV-MNOVXSKESA-N 2 0 241.379 1.008 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CC1CCSCC1 ZINC000229216479 640934324 /nfs/dbraw/zinc/93/43/24/640934324.db2.gz SCGXFQKVRUYMPM-VXGBXAGGSA-N 2 0 228.405 1.847 20 0 BDADRP COCC[C@H](C)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000229256123 640939531 /nfs/dbraw/zinc/93/95/31/640939531.db2.gz XEADQZCNKMFPGT-WDEREUQCSA-N 2 0 200.326 1.082 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CSCCS2)C1 ZINC000229583163 640967925 /nfs/dbraw/zinc/96/79/25/640967925.db2.gz MAMTVODPJWLYHZ-GMTAPVOTSA-N 2 0 246.445 1.695 20 0 BDADRP CO[C@@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000230316155 641047097 /nfs/dbraw/zinc/04/70/97/641047097.db2.gz JHGVASOVXLBRGU-GFCCVEGCSA-N 2 0 212.337 1.239 20 0 BDADRP CCC[C@@](C)(O)C[NH2+]CC1CC[NH+](C)CC1 ZINC000230687787 641087854 /nfs/dbraw/zinc/08/78/54/641087854.db2.gz MFJCFQJGNUMCHM-CYBMUJFWSA-N 2 0 228.380 1.469 20 0 BDADRP CN(Cc1ccccn1)C[C@@]1(C)CCC[NH2+]C1 ZINC000062862053 641100453 /nfs/dbraw/zinc/10/04/53/641100453.db2.gz ZXAQJWHLBJUMPB-AWEZNQCLSA-N 2 0 233.359 1.903 20 0 BDADRP C[N@H+](CCNCC[NH2+]C(C)(C)C)C1CCCC1 ZINC000230974149 641121911 /nfs/dbraw/zinc/12/19/11/641121911.db2.gz ZHYCLBREIPRYOX-UHFFFAOYSA-N 2 0 241.423 1.839 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H](O)c2ccsc2)C1 ZINC000231978907 641225466 /nfs/dbraw/zinc/22/54/66/641225466.db2.gz HPJUXBDKWVKXMA-GRYCIOLGSA-N 2 0 240.372 1.641 20 0 BDADRP O[C@@H](C[NH2+]CC1CC[NH2+]CC1)c1ccsc1 ZINC000231979805 641225878 /nfs/dbraw/zinc/22/58/78/641225878.db2.gz XJUNMOBVUCGGHP-LBPRGKRZSA-N 2 0 240.372 1.371 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C[C@H]1[NH3+] ZINC000723460824 711500272 /nfs/dbraw/zinc/50/02/72/711500272.db2.gz MDUQZTCGGCOSDG-UJPOAAIJSA-N 2 0 208.349 1.702 20 0 BDADRP C[NH+]1CCC(NCC[NH+]2CCCCCC2)CC1 ZINC000040767072 641536498 /nfs/dbraw/zinc/53/64/98/641536498.db2.gz XTYOUWJVEVCKBZ-UHFFFAOYSA-N 2 0 239.407 1.546 20 0 BDADRP C[N@H+](CCCCCC[NH3+])C[C@@H]1CCCO1 ZINC000042466506 641550926 /nfs/dbraw/zinc/55/09/26/641550926.db2.gz FJVNHZBHCULGAD-LBPRGKRZSA-N 2 0 214.353 1.616 20 0 BDADRP COCC[N@H+](C)CCCCCCC[NH3+] ZINC000042460305 641552023 /nfs/dbraw/zinc/55/20/23/641552023.db2.gz IZISZSOEEUGJJC-UHFFFAOYSA-N 2 0 202.342 1.474 20 0 BDADRP COC[C@H](C)C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925478894 642460907 /nfs/dbraw/zinc/46/09/07/642460907.db2.gz DQCQPSGMZRYVEK-UTUOFQBUSA-N 2 0 228.380 1.765 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@H]2CCCCO2)C1 ZINC000253361937 642638601 /nfs/dbraw/zinc/63/86/01/642638601.db2.gz FGXJMZWAERCDLY-VXGBXAGGSA-N 2 0 212.337 1.226 20 0 BDADRP [NH3+]CC[C@H]1CCC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC000070171024 642985121 /nfs/dbraw/zinc/98/51/21/642985121.db2.gz NLBAUEVFCDLLLX-UKRRQHHQSA-N 2 0 248.370 1.781 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@H](O)c1ccccc1 ZINC000049557439 643085315 /nfs/dbraw/zinc/08/53/15/643085315.db2.gz DMFALEVWXPPXKD-JSGCOSHPSA-N 2 0 236.359 1.650 20 0 BDADRP C[C@H](CC[NH+](C)C)NC(=O)CC[NH2+]C(C)(C)C ZINC000049559699 643086881 /nfs/dbraw/zinc/08/68/81/643086881.db2.gz DGCWESONRPEJQH-LLVKDONJSA-N 2 0 243.395 1.221 20 0 BDADRP C[C@H](CC[NH+](C)C)NC(=O)CCCCCC[NH3+] ZINC000049559723 643087543 /nfs/dbraw/zinc/08/75/43/643087543.db2.gz RYZOOWSNRYFPFQ-GFCCVEGCSA-N 2 0 243.395 1.352 20 0 BDADRP CCCC[NH+]1CCC([NH2+][C@@H]2CCOC2)CC1 ZINC000070967216 643089580 /nfs/dbraw/zinc/08/95/80/643089580.db2.gz VXWZCHJDKYOGAJ-CYBMUJFWSA-N 2 0 226.364 1.629 20 0 BDADRP c1ccc2c(c1)[nH+]ccc2N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090323058 643206369 /nfs/dbraw/zinc/20/63/69/643206369.db2.gz WHBCOAGXXJKIOK-TXEJJXNPSA-N 2 0 239.322 1.890 20 0 BDADRP C[N@H+](CC1CCOCC1)CC(C)(C)C[NH3+] ZINC000082545382 643340533 /nfs/dbraw/zinc/34/05/33/643340533.db2.gz PWRSIASNXQFEAV-UHFFFAOYSA-N 2 0 214.353 1.330 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccsc1 ZINC000082560926 643512183 /nfs/dbraw/zinc/51/21/83/643512183.db2.gz CWYUIWJDQYOPSI-KOLCDFICSA-N 2 0 210.346 1.693 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc[nH]c(=O)c2)C1 ZINC000921546967 643600099 /nfs/dbraw/zinc/60/00/99/643600099.db2.gz JWTLLRLTFMXEOL-LBPRGKRZSA-N 2 0 235.331 1.219 20 0 BDADRP CC(C)CNC(=[NH2+])NC[C@@H](C)[NH+]1CCCCC1 ZINC000052042800 643644821 /nfs/dbraw/zinc/64/48/21/643644821.db2.gz PXELOKWCGSCOJS-GFCCVEGCSA-N 2 0 240.395 1.631 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC1(O)CCCCC1 ZINC000084222884 643650045 /nfs/dbraw/zinc/65/00/45/643650045.db2.gz ORGNWCNXYKRQEF-RYUDHWBXSA-N 2 0 226.364 1.399 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@@H]1C[NH3+])c1ccccn1 ZINC000084218044 643651348 /nfs/dbraw/zinc/65/13/48/643651348.db2.gz XBYSUYRFLGCEPR-LOWVWBTDSA-N 2 0 219.332 1.860 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1nccs1 ZINC000084216781 643651403 /nfs/dbraw/zinc/65/14/03/643651403.db2.gz VGRZYZGMTIWQRQ-WDEREUQCSA-N 2 0 239.388 1.793 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2)C1 ZINC000050247755 643660683 /nfs/dbraw/zinc/66/06/83/643660683.db2.gz IYZKSMLAHKQIOK-LBPRGKRZSA-N 2 0 247.342 1.296 20 0 BDADRP CCO[C@H](C[NH2+][C@@H]1CO[C@H](CC)C1)CN(C)C ZINC000922756024 644087173 /nfs/dbraw/zinc/08/71/73/644087173.db2.gz KOCDOPBKGBTGOU-YNEHKIRRSA-N 2 0 244.379 1.110 20 0 BDADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2cn[nH]c2)CC1 ZINC000922846069 644118897 /nfs/dbraw/zinc/11/88/97/644118897.db2.gz KLIUEXPUPYZLIC-UHFFFAOYSA-N 2 0 248.374 1.906 20 0 BDADRP CC[C@H](CO)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000929327409 644142996 /nfs/dbraw/zinc/14/29/96/644142996.db2.gz JCGTXNCNYBBBIO-CYBMUJFWSA-N 2 0 228.380 1.421 20 0 BDADRP C[C@H]([NH3+])CCC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000193319479 644233827 /nfs/dbraw/zinc/23/38/27/644233827.db2.gz YUWMLXNZUKUUMY-QWRGUYRKSA-N 2 0 243.395 1.206 20 0 BDADRP CC[NH2+]CC1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000923294358 644333333 /nfs/dbraw/zinc/33/33/33/644333333.db2.gz HVLORSXENFGDMI-UHFFFAOYSA-N 3 0 239.407 1.450 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923313638 644341680 /nfs/dbraw/zinc/34/16/80/644341680.db2.gz IICPBVICFQOVOI-WOPDTQHZSA-N 2 0 224.348 1.095 20 0 BDADRP CCC[C@@H]1C[NH2+]CCN1CCC[NH2+]C1CC1 ZINC000923331149 644349061 /nfs/dbraw/zinc/34/90/61/644349061.db2.gz KYTPOOIYGGCJHL-CYBMUJFWSA-N 2 0 225.380 1.202 20 0 BDADRP CC(C)CC[C@H](O)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000923333870 644354930 /nfs/dbraw/zinc/35/49/30/644354930.db2.gz YQHMKLAKCGUHDY-UPJWGTAASA-N 2 0 228.380 1.453 20 0 BDADRP CCc1ncc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)o1 ZINC000923348432 644361134 /nfs/dbraw/zinc/36/11/34/644361134.db2.gz GYKDGBPRSALHHW-LLVKDONJSA-N 2 0 237.347 1.798 20 0 BDADRP CC(C)CC[C@H](O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000923357944 644366570 /nfs/dbraw/zinc/36/65/70/644366570.db2.gz BMACFMBLMPQTSR-MELADBBJSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@@H](NC(C[NH3+])C[NH3+])c1ccc(F)c(Cl)c1 ZINC000923351400 644366963 /nfs/dbraw/zinc/36/69/63/644366963.db2.gz KPHHSFRPMDEMEV-SSDOTTSWSA-N 2 0 245.729 1.416 20 0 BDADRP CC(C)c1ccc([C@@H](C)NC(C[NH3+])C[NH3+])cc1 ZINC000923359109 644369724 /nfs/dbraw/zinc/36/97/24/644369724.db2.gz LXMVOAAWAKQNLA-LLVKDONJSA-N 2 0 235.375 1.747 20 0 BDADRP Cc1ccc([C@@H](O)CN2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000923367846 644379570 /nfs/dbraw/zinc/37/95/70/644379570.db2.gz JNIJJNNBFNWHLV-UBHSHLNASA-N 2 0 234.343 1.450 20 0 BDADRP CC(C)CC[C@@H](O)C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000923368344 644380459 /nfs/dbraw/zinc/38/04/59/644380459.db2.gz AWJKUZHNOYPQIG-OLZOCXBDSA-N 2 0 242.407 1.761 20 0 BDADRP [NH3+]CC(C[NH3+])N[C@@H]1CCc2c1cccc2Cl ZINC000923359504 644383804 /nfs/dbraw/zinc/38/38/04/644383804.db2.gz SGUNQDZWNDKCSZ-GFCCVEGCSA-N 2 0 239.750 1.203 20 0 BDADRP CC1(C)CCC[C@H]1[NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923379397 644391239 /nfs/dbraw/zinc/39/12/39/644391239.db2.gz PBQNYLTXBWWJFS-NWDGAFQWSA-N 2 0 238.375 1.533 20 0 BDADRP CC1(C)CCC[C@H]1[NH2+]C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923379402 644391351 /nfs/dbraw/zinc/39/13/51/644391351.db2.gz PBQNYLTXBWWJFS-VXGBXAGGSA-N 2 0 238.375 1.533 20 0 BDADRP CC[C@H](O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000923383508 644396285 /nfs/dbraw/zinc/39/62/85/644396285.db2.gz IXMVXWFFETWTMW-NEPJUHHUSA-N 2 0 226.364 1.221 20 0 BDADRP Oc1cccc2c1CCN(CCC[NH2+]C1CC1)C2 ZINC000923399846 644406796 /nfs/dbraw/zinc/40/67/96/644406796.db2.gz IFDKASZNTWAPKM-UHFFFAOYSA-N 2 0 246.354 1.892 20 0 BDADRP C[C@H]1CCC(C)(C)[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923423208 644419636 /nfs/dbraw/zinc/41/96/36/644419636.db2.gz WBHRPDSBGLVKRQ-NWDGAFQWSA-N 2 0 238.375 1.628 20 0 BDADRP CC(C)[C@@H](C)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923445551 644430544 /nfs/dbraw/zinc/43/05/44/644430544.db2.gz KGLSIPNDGITUKP-OLZOCXBDSA-N 2 0 240.391 1.861 20 0 BDADRP C[NH2+]C[C@](C)(O)C[NH+]1CCC(CSC)CC1 ZINC000923448976 644432249 /nfs/dbraw/zinc/43/22/49/644432249.db2.gz XMIIXSJBFLWBSR-LBPRGKRZSA-N 2 0 246.420 1.032 20 0 BDADRP CC[C@@H](C)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923452154 644442168 /nfs/dbraw/zinc/44/21/68/644442168.db2.gz RWUUHXQKVQYHGS-NEPJUHHUSA-N 2 0 226.364 1.615 20 0 BDADRP Cc1cc(C[N@@H+](C)C2CCC([NH3+])CC2)no1 ZINC000085869844 644452507 /nfs/dbraw/zinc/45/25/07/644452507.db2.gz SLKRLXQZXIIKKD-UHFFFAOYSA-N 2 0 223.320 1.685 20 0 BDADRP C[C@@H]1C[N@H+](C/C=C\Cl)CC[C@@H]1C[NH3+] ZINC000923495425 644461408 /nfs/dbraw/zinc/46/14/08/644461408.db2.gz VKROSHKGTMTVDJ-AXBRGNRRSA-N 2 0 202.729 1.656 20 0 BDADRP C[C@H]1C[N@H+](Cc2ncc(C3CC3)o2)CC[C@@H]1C[NH3+] ZINC000923495881 644462371 /nfs/dbraw/zinc/46/23/71/644462371.db2.gz DVCZSFMOBIZZGM-CMPLNLGQSA-N 2 0 249.358 1.969 20 0 BDADRP COC1CC(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)C1 ZINC000923491944 644468188 /nfs/dbraw/zinc/46/81/88/644468188.db2.gz VIAKSFPDYTWUKP-QCXCNERSSA-N 2 0 226.364 1.328 20 0 BDADRP COc1cc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)on1 ZINC000923492924 644468761 /nfs/dbraw/zinc/46/87/61/644468761.db2.gz ZMHBXMOQILXSKJ-VHSXEESVSA-N 2 0 239.319 1.100 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2C[C@]23CCOC3)CC[C@@H]1C[NH3+] ZINC000923494444 644469436 /nfs/dbraw/zinc/46/94/36/644469436.db2.gz XPQYNQIEAVUEIB-MQYQWHSLSA-N 2 0 238.375 1.330 20 0 BDADRP CCN(CC)CC[NH2+]C1CCC([NH3+])CC1 ZINC000086724771 644469480 /nfs/dbraw/zinc/46/94/80/644469480.db2.gz UZTIGQHRDLAJTQ-UHFFFAOYSA-N 2 0 213.369 1.188 20 0 BDADRP Cc1nnc([C@H](C)[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)[nH]1 ZINC000923493485 644469765 /nfs/dbraw/zinc/46/97/65/644469765.db2.gz HEXPXLGRNDXCPR-QXEWZRGKSA-N 2 0 237.351 1.091 20 0 BDADRP C[C@@H]1C[N@H+](CCC[NH2+]C2CC2)CC[C@H]1C[NH3+] ZINC000923494524 644469966 /nfs/dbraw/zinc/46/99/66/644469966.db2.gz YLXVZBFQQZDRSK-NEPJUHHUSA-N 3 0 225.380 1.045 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2C[C@@]23CCOC3)CC[C@@H]1C[NH3+] ZINC000923494448 644470328 /nfs/dbraw/zinc/47/03/28/644470328.db2.gz XPQYNQIEAVUEIB-YIYPIFLZSA-N 2 0 238.375 1.330 20 0 BDADRP Cc1noc(C)c1C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923502573 644471038 /nfs/dbraw/zinc/47/10/38/644471038.db2.gz CASQSXVWFDLHNS-SKDRFNHKSA-N 2 0 237.347 1.708 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CC[C@@H]1C[NH3+] ZINC000923499705 644472611 /nfs/dbraw/zinc/47/26/11/644472611.db2.gz LLGJXFRMBOFOHX-MGPQQGTHSA-N 3 0 239.407 1.293 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CC[C@@H]1C[NH3+] ZINC000923499702 644472934 /nfs/dbraw/zinc/47/29/34/644472934.db2.gz LLGJXFRMBOFOHX-HZSPNIEDSA-N 3 0 239.407 1.293 20 0 BDADRP C[C@H]1C[N@H+](Cc2cccc(N)c2)CC[C@H]1C[NH3+] ZINC000923501323 644476391 /nfs/dbraw/zinc/47/63/91/644476391.db2.gz QLIGTBIVCBLFOH-AAEUAGOBSA-N 2 0 233.359 1.686 20 0 BDADRP C[C@H]1CC[C@H](C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)O1 ZINC000923515085 644480396 /nfs/dbraw/zinc/48/03/96/644480396.db2.gz CNTRSWCCAVRNNT-WUHRBBMRSA-N 2 0 224.348 1.095 20 0 BDADRP OC[C@@H]1CCCCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000923529895 644484063 /nfs/dbraw/zinc/48/40/63/644484063.db2.gz CXONMMFRUKWVRR-KGLIPLIRSA-N 2 0 240.391 1.613 20 0 BDADRP [NH3+]CCCN1C[C@H](CC[NH3+])Cc2ccccc21 ZINC000923543555 644495295 /nfs/dbraw/zinc/49/52/95/644495295.db2.gz MJRWJKVIBDLATN-GFCCVEGCSA-N 2 0 233.359 1.363 20 0 BDADRP CCn1cnc2c1CC[N@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000923558860 644496818 /nfs/dbraw/zinc/49/68/18/644496818.db2.gz YECPICBIMVTRLD-LBPRGKRZSA-N 2 0 248.374 1.261 20 0 BDADRP CCn1cnc2c1CC[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C2 ZINC000923558118 644503007 /nfs/dbraw/zinc/50/30/07/644503007.db2.gz QRWIUIVUKDLSSC-NEPJUHHUSA-N 2 0 248.374 1.389 20 0 BDADRP COc1cc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])ccn1 ZINC000089150634 644536889 /nfs/dbraw/zinc/53/68/89/644536889.db2.gz CGSZUPUBRVVRKX-RYUDHWBXSA-N 2 0 235.331 1.307 20 0 BDADRP COC[C@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000250461955 644759318 /nfs/dbraw/zinc/75/93/18/644759318.db2.gz LQJPUJSOSAMYRN-OLZOCXBDSA-N 2 0 226.364 1.344 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)C[C@H]1N(C)C ZINC000251847163 644827169 /nfs/dbraw/zinc/82/71/69/644827169.db2.gz RBFYVLGVORSIME-MGPQQGTHSA-N 2 0 239.407 1.258 20 0 BDADRP OCCCCCC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000303621896 644833971 /nfs/dbraw/zinc/83/39/71/644833971.db2.gz ZVPKSUGLWKPKQE-ZDUSSCGKSA-N 2 0 226.364 1.225 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000415137367 644885533 /nfs/dbraw/zinc/88/55/33/644885533.db2.gz IVKQXHRNSUNENM-OLZOCXBDSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+]CCCCCC[NH3+])CC[NH2+]1 ZINC000843129106 645266287 /nfs/dbraw/zinc/26/62/87/645266287.db2.gz MICAYBGXKFGJJG-OLZOCXBDSA-N 3 0 227.396 1.483 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](CO)C2)[C@@H](C)C1 ZINC000927149969 645573583 /nfs/dbraw/zinc/57/35/83/645573583.db2.gz HIPINKUMHUPDSN-CYDGBPFRSA-N 2 0 226.364 1.077 20 0 BDADRP CC[N@@H+]1CCC[C@H](N[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925494103 645731379 /nfs/dbraw/zinc/73/13/79/645731379.db2.gz NJDVRGXIMUDFOB-NWDGAFQWSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H]1CC[C@H](C[NH3+])N(C[C@@H]2C[C@H](F)C[NH2+]2)[C@H]1C ZINC000883445975 645851443 /nfs/dbraw/zinc/85/14/43/645851443.db2.gz RNKDYIZHCCGGBD-QNWJLWSRSA-N 2 0 243.370 1.134 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](Cc2cccs2)C1 ZINC000235709212 711524275 /nfs/dbraw/zinc/52/42/75/711524275.db2.gz QSRYSYUDWDPYKY-LLVKDONJSA-N 2 0 210.346 1.919 20 0 BDADRP CC[C@@H](CO)[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000929276144 646056180 /nfs/dbraw/zinc/05/61/80/646056180.db2.gz OZDWSEZAZJXNKO-AWEZNQCLSA-N 2 0 242.407 1.811 20 0 BDADRP CC(C)[C@@H]1COCC[C@@H]1[NH2+]CCC[NH+](C)C ZINC000924537936 646056838 /nfs/dbraw/zinc/05/68/38/646056838.db2.gz CXTZVJRMBRAOPO-STQMWFEESA-N 2 0 228.380 1.589 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(C)(C)CO ZINC000924697321 646090537 /nfs/dbraw/zinc/09/05/37/646090537.db2.gz KTERKOAZRBAXJX-XQQFMLRXSA-N 2 0 240.391 1.610 20 0 BDADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)C(C)(C)CO)C1 ZINC000924755831 646102684 /nfs/dbraw/zinc/10/26/84/646102684.db2.gz XKCSKRVWFZTUCZ-STQMWFEESA-N 2 0 242.407 1.715 20 0 BDADRP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000925012807 646157983 /nfs/dbraw/zinc/15/79/83/646157983.db2.gz WQYVNWMURXQGKN-RFQIPJPRSA-N 2 0 240.391 1.589 20 0 BDADRP C[C@@H]1CC[C@@H](C)C1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000925110739 646185770 /nfs/dbraw/zinc/18/57/70/646185770.db2.gz AHFAOYXOMUCFAE-VXGBXAGGSA-N 2 0 240.391 1.467 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CC1(C)C ZINC000925392117 646256622 /nfs/dbraw/zinc/25/66/22/646256622.db2.gz CTVWMBKWEHBMHY-FXJUQPSGSA-N 2 0 222.376 1.962 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925480658 646291740 /nfs/dbraw/zinc/29/17/40/646291740.db2.gz GNBUVCACCQCNGA-UMSGYPCISA-N 2 0 242.407 1.889 20 0 BDADRP CC[N@@H+]1CC[C@H](CN[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925478631 646292699 /nfs/dbraw/zinc/29/26/99/646292699.db2.gz VPEKHIXGOHNODF-CHWSQXEVSA-N 2 0 237.391 1.202 20 0 BDADRP CC1(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)COC1 ZINC000925483457 646293815 /nfs/dbraw/zinc/29/38/15/646293815.db2.gz SXLVGZZTGRUTAD-QWRGUYRKSA-N 2 0 226.364 1.519 20 0 BDADRP CCCC[N@H+](C)CCN[C@H]1CC[NH2+]C1(C)C ZINC000925483543 646294042 /nfs/dbraw/zinc/29/40/42/646294042.db2.gz UJFXCTJUSDZSNV-LBPRGKRZSA-N 2 0 227.396 1.448 20 0 BDADRP CCC[C@H](O)C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925482522 646295556 /nfs/dbraw/zinc/29/55/56/646295556.db2.gz NEJFRQDQHDSJJL-SRVKXCTJSA-N 2 0 228.380 1.643 20 0 BDADRP CN1CC[C@H]([NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925486252 646296965 /nfs/dbraw/zinc/29/69/65/646296965.db2.gz GKSBYOUORKPXKW-SRVKXCTJSA-N 2 0 225.380 1.186 20 0 BDADRP Cc1ccc([C@@H](O)CN[C@@H]2CC[NH2+]C2(C)C)cc1 ZINC000925489947 646299192 /nfs/dbraw/zinc/29/91/92/646299192.db2.gz BFEMFTILXWIYMB-UONOGXRCSA-N 2 0 248.370 1.759 20 0 BDADRP C[C@H](O)CC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925499623 646304638 /nfs/dbraw/zinc/30/46/38/646304638.db2.gz RLZMDCBZYXVGCF-YUTCNCBUSA-N 2 0 240.391 1.515 20 0 BDADRP CSCC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925504196 646306271 /nfs/dbraw/zinc/30/62/71/646306271.db2.gz KWEMDHVEBCRUPF-ZJUUUORDSA-N 2 0 216.394 1.845 20 0 BDADRP CC[C@H](COC)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925508777 646307688 /nfs/dbraw/zinc/30/76/88/646307688.db2.gz JFSYWXGHAPZPHY-IJLUTSLNSA-N 2 0 228.380 1.907 20 0 BDADRP C[NH+]1CCC(N[C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925511153 646309209 /nfs/dbraw/zinc/30/92/09/646309209.db2.gz HLHMJHIVEVZCRG-CYBMUJFWSA-N 2 0 237.391 1.345 20 0 BDADRP CN1CCC([NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925511555 646310822 /nfs/dbraw/zinc/31/08/22/646310822.db2.gz OYQGIPDXOOMKNM-YPMHNXCESA-N 2 0 239.407 1.576 20 0 BDADRP CC[C@H](CO)[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000929790534 646321992 /nfs/dbraw/zinc/32/19/92/646321992.db2.gz KIUZDOPGOCBZRU-NWDGAFQWSA-N 2 0 214.353 1.031 20 0 BDADRP C[C@H](Cc1ccncc1)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925542808 646324751 /nfs/dbraw/zinc/32/47/51/646324751.db2.gz PKEPFTUTVMOTGB-KWCYVHTRSA-N 2 0 245.370 1.872 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cc[nH]n1 ZINC000925550304 646327310 /nfs/dbraw/zinc/32/73/10/646327310.db2.gz QTTBTEDGERRVIR-GJYTXDDASA-N 2 0 220.320 1.015 20 0 BDADRP C[N@@H+]1CCC[C@H](CN[C@H]2CC[NH2+]C23CCC3)C1 ZINC000925556713 646331079 /nfs/dbraw/zinc/33/10/79/646331079.db2.gz MDDPLHRNCJFZCB-OLZOCXBDSA-N 2 0 237.391 1.202 20 0 BDADRP CO[C@H](C)CC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925564443 646338581 /nfs/dbraw/zinc/33/85/81/646338581.db2.gz JJBLMZRXVYJVGA-IJLUTSLNSA-N 2 0 228.380 1.907 20 0 BDADRP CC[C@@H](O)CCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925582391 646346153 /nfs/dbraw/zinc/34/61/53/646346153.db2.gz YIOSTPILURMNAS-OLZOCXBDSA-N 2 0 240.391 1.802 20 0 BDADRP C[N@@H+]1CCC[C@H]2C[NH+](CCOC3CC3)CC[C@@H]21 ZINC000929842873 646354631 /nfs/dbraw/zinc/35/46/31/646354631.db2.gz DYPYUUZPRMEATO-JSGCOSHPSA-N 2 0 238.375 1.582 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925609173 646358308 /nfs/dbraw/zinc/35/83/08/646358308.db2.gz PTPMCJHUUQZPAS-MDZLAQPJSA-N 2 0 228.380 1.643 20 0 BDADRP CC[C@H](CN[C@H]1CC[NH2+]C1(C)C)[NH+]1CCCC1 ZINC000925606773 646358496 /nfs/dbraw/zinc/35/84/96/646358496.db2.gz QGCJBDYNRWSXCE-OLZOCXBDSA-N 2 0 239.407 1.591 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+][C@@H]2C=C[C@H](CO)C2)C1 ZINC000925614691 646363287 /nfs/dbraw/zinc/36/32/87/646363287.db2.gz JJZJYQIMGYVPRP-WUHRBBMRSA-N 2 0 238.375 1.419 20 0 BDADRP OCC1CCC([NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925612890 646363457 /nfs/dbraw/zinc/36/34/57/646363457.db2.gz VUJOJSWPPTVNAQ-WXRRBKDZSA-N 2 0 238.375 1.412 20 0 BDADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CCOC2)CC1 ZINC000925618536 646365403 /nfs/dbraw/zinc/36/54/03/646365403.db2.gz WMXDPYLGXLJNAT-CQSZACIVSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925618703 646365745 /nfs/dbraw/zinc/36/57/45/646365745.db2.gz JJSQHEHZEZCRHH-GRYCIOLGSA-N 2 0 228.380 1.499 20 0 BDADRP CC(C)[C@@H](CO)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925621839 646369446 /nfs/dbraw/zinc/36/94/46/646369446.db2.gz GZJUMIQQYIRCDE-IJLUTSLNSA-N 2 0 228.380 1.499 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCOCC2CCC2)C12CCC2 ZINC000925639708 646383285 /nfs/dbraw/zinc/38/32/85/646383285.db2.gz MWRMYYPQXJVJAH-CHWSQXEVSA-N 2 0 238.375 1.663 20 0 BDADRP C[NH+](C)C1(CN[C@H]2CC[NH2+]C2(C)C)CCC1 ZINC000925645367 646386898 /nfs/dbraw/zinc/38/68/98/646386898.db2.gz PYLRDXKIJGTWHF-NSHDSACASA-N 2 0 225.380 1.201 20 0 BDADRP FC(F)OCCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925668319 646398781 /nfs/dbraw/zinc/39/87/81/646398781.db2.gz YKDNNWXEYRXNIR-SNVBAGLBSA-N 2 0 248.317 1.880 20 0 BDADRP CC(C)[N@@H+](C)C[C@@H](C)N[C@H]1CC[NH2+]C12CCC2 ZINC000925668604 646399558 /nfs/dbraw/zinc/39/95/58/646399558.db2.gz IOOJVYYFLRSZPW-OLZOCXBDSA-N 2 0 239.407 1.589 20 0 BDADRP CC(C)(CO)CC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925678948 646407464 /nfs/dbraw/zinc/40/74/64/646407464.db2.gz GFETWHRKYLRRCL-NWDGAFQWSA-N 2 0 242.407 1.891 20 0 BDADRP COCC[C@@H](C)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925685336 646410272 /nfs/dbraw/zinc/41/02/72/646410272.db2.gz IJTFTOKFTXHWNJ-OLZOCXBDSA-N 2 0 240.391 1.923 20 0 BDADRP Cc1cccnc1CCN[C@H]1CC[NH2+]C12CCC2 ZINC000925683479 646411971 /nfs/dbraw/zinc/41/19/71/646411971.db2.gz QSKSNRVJRSAWRE-AWEZNQCLSA-N 2 0 245.370 1.807 20 0 BDADRP COCC[C@H](C)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925685487 646412343 /nfs/dbraw/zinc/41/23/43/646412343.db2.gz JNPILRJMYWIXCA-QWRGUYRKSA-N 2 0 214.353 1.389 20 0 BDADRP C[C@H]1NCCC[C@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000925686508 646413284 /nfs/dbraw/zinc/41/32/84/646413284.db2.gz VPTDVHTUQYKRNA-TZMCWYRMSA-N 2 0 239.407 1.591 20 0 BDADRP CC[NH2+]CCN[C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925689486 646416549 /nfs/dbraw/zinc/41/65/49/646416549.db2.gz ANJREJPSXROJNT-AAEUAGOBSA-N 2 0 221.348 1.274 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925691615 646417905 /nfs/dbraw/zinc/41/79/05/646417905.db2.gz IWZLNNQERVPYAF-NDBYEHHHSA-N 2 0 239.407 1.336 20 0 BDADRP C(N[C@H]1CC[NH2+]C12CCC2)[C@H]1CCCC[NH2+]1 ZINC000925693148 646418038 /nfs/dbraw/zinc/41/80/38/646418038.db2.gz OUAPTQGFOBPWDY-NEPJUHHUSA-N 2 0 223.364 1.003 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)[C@@H](C)O1 ZINC000925696716 646421854 /nfs/dbraw/zinc/42/18/54/646421854.db2.gz LKECLMSNAGFLQB-FDYHWXHSSA-N 2 0 238.375 1.674 20 0 BDADRP CC1(C)C[C@@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C[C@@H]([NH3+])C1 ZINC000925697815 646423146 /nfs/dbraw/zinc/42/31/46/646423146.db2.gz AOOUMCQPHXSZGO-RNJOBUHISA-N 2 0 239.407 1.752 20 0 BDADRP CC(C)(C)[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925703219 646426770 /nfs/dbraw/zinc/42/67/70/646426770.db2.gz COSXMWLQORJMIG-NWDGAFQWSA-N 2 0 239.407 1.589 20 0 BDADRP Cc1ccncc1CCN[C@@H]1CC[NH2+]C12CCC2 ZINC000925704396 646428604 /nfs/dbraw/zinc/42/86/04/646428604.db2.gz GSLGORJDFDUCQX-CQSZACIVSA-N 2 0 245.370 1.807 20 0 BDADRP C1=C(CN[C@@H]2CC[NH2+]C23CCC3)CCC1 ZINC000925704176 646428630 /nfs/dbraw/zinc/42/86/30/646428630.db2.gz BSDXMQSTXNVGAZ-GFCCVEGCSA-N 2 0 206.333 1.971 20 0 BDADRP [NH3+]Cc1ccc(CN[C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000925705298 646429044 /nfs/dbraw/zinc/42/90/44/646429044.db2.gz BBVCYBINOKXJFF-CQSZACIVSA-N 2 0 245.370 1.520 20 0 BDADRP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@@H]2[NH2+]CC1=CCCC1 ZINC000925704173 646429620 /nfs/dbraw/zinc/42/96/20/646429620.db2.gz BPHHVQKYICPGEX-KPWCQOOUSA-N 2 0 236.359 1.439 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000925706361 646430498 /nfs/dbraw/zinc/43/04/98/646430498.db2.gz CMGZMMICSMAUKT-KKOKHZNYSA-N 2 0 208.349 1.905 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCC2=CC[NH2+]CC2)C12CCC2 ZINC000925705476 646431327 /nfs/dbraw/zinc/43/13/27/646431327.db2.gz JJVBZGPVXIEXKD-CHWSQXEVSA-N 3 0 235.375 1.156 20 0 BDADRP C1CC2(C1)[NH2+]CC[C@H]2N[C@@H]1CCCC[NH2+]C1 ZINC000925707340 646432670 /nfs/dbraw/zinc/43/26/70/646432670.db2.gz PIKYIJAHZLRDSH-VXGBXAGGSA-N 2 0 223.364 1.003 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925708344 646432847 /nfs/dbraw/zinc/43/28/47/646432847.db2.gz SJJITEYDXLQMAY-QWHCGFSZSA-N 2 0 237.391 1.345 20 0 BDADRP [NH3+]C1(CN[C@H]2CC[NH2+]C23CCC3)CCCC1 ZINC000925710211 646434645 /nfs/dbraw/zinc/43/46/45/646434645.db2.gz IFQQOFSZZJPKIH-NSHDSACASA-N 2 0 223.364 1.132 20 0 BDADRP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1C[C@H]3CC[C@@H]1O3)[NH2+]2 ZINC000925713478 646437978 /nfs/dbraw/zinc/43/79/78/646437978.db2.gz UBDFJPNXWQSJNQ-LVBDWLNGSA-N 2 0 236.359 1.425 20 0 BDADRP COCC1(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925712497 646439285 /nfs/dbraw/zinc/43/92/85/646439285.db2.gz HEDWCWZCZFIIKR-RYUDHWBXSA-N 2 0 240.391 1.909 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925715990 646440444 /nfs/dbraw/zinc/44/04/44/646440444.db2.gz NBOLCMUPSVNXQS-IJLUTSLNSA-N 2 0 225.380 1.219 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925720222 646444612 /nfs/dbraw/zinc/44/46/12/646444612.db2.gz WVESZDSLOLZRCD-LPWJVIDDSA-N 2 0 240.391 1.907 20 0 BDADRP CC1(C)C[C@@H]([NH2+]Cc2ccc[nH]c2=O)C[C@@H]([NH3+])C1 ZINC000925720679 646445767 /nfs/dbraw/zinc/44/57/67/646445767.db2.gz ZTIBVDRGPXSFDA-NEPJUHHUSA-N 2 0 249.358 1.783 20 0 BDADRP CC(C)(F)CN[C@H]1CC[NH2+]C12CCCC2 ZINC000925724129 646449938 /nfs/dbraw/zinc/44/99/38/646449938.db2.gz GYPLZBPWUQKXQY-JTQLQIEISA-N 2 0 214.328 1.999 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000925724716 646450390 /nfs/dbraw/zinc/45/03/90/646450390.db2.gz COMRQRBOMALAMO-YNEHKIRRSA-N 2 0 239.407 1.495 20 0 BDADRP CC(C)(F)C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925726061 646451121 /nfs/dbraw/zinc/45/11/21/646451121.db2.gz XWOABRNDBGVJIN-RKDXNWHRSA-N 2 0 200.301 1.594 20 0 BDADRP C[C@@H](N)[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccccc1 ZINC000925729235 646453180 /nfs/dbraw/zinc/45/31/80/646453180.db2.gz ZHEBSTXFQFSEGY-MHDGFBEUSA-N 2 0 233.359 1.402 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCc1ccns1 ZINC000925730745 646453773 /nfs/dbraw/zinc/45/37/73/646453773.db2.gz IHDFRYFICFIQIB-DTWKUNHWSA-N 2 0 213.350 1.401 20 0 BDADRP CC1(C)CC[C@H](C[NH2+][C@H]2CCC[C@@H]2[NH3+])OC1 ZINC000925729878 646454718 /nfs/dbraw/zinc/45/47/18/646454718.db2.gz ACNAJSKSTCXJBZ-WOPDTQHZSA-N 2 0 226.364 1.661 20 0 BDADRP COCCC[C@H](C)[NH2+]CCC(C)(C)[NH3+] ZINC000925741783 646462771 /nfs/dbraw/zinc/46/27/71/646462771.db2.gz NBTVKUXKWMWWMR-JTQLQIEISA-N 2 0 202.342 1.519 20 0 BDADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+]CCC(C)(C)[NH3+])C1(C)C ZINC000925742680 646463795 /nfs/dbraw/zinc/46/37/95/646463795.db2.gz WTKRUWPNJIDQFJ-GMTAPVOTSA-N 2 0 228.380 1.763 20 0 BDADRP Cc1ncc([C@H](C)[NH2+]CCC(C)(C)[NH3+])c(C)n1 ZINC000925743047 646464287 /nfs/dbraw/zinc/46/42/87/646464287.db2.gz ZLYIVOJTHLXLOV-VIFPVBQESA-N 2 0 236.363 1.871 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@@H](NCc2cc(N)cc[nH+]2)C1 ZINC000925768094 646468677 /nfs/dbraw/zinc/46/86/77/646468677.db2.gz SKFHIQPGRJKLOY-NWDGAFQWSA-N 2 0 248.374 1.659 20 0 BDADRP Cc1cc(N[C@H](C)C[C@@H]2COCC[NH2+]2)cnc1C ZINC000925767648 646469086 /nfs/dbraw/zinc/46/90/86/646469086.db2.gz GKMZUXBGNJKEPC-BXUZGUMPSA-N 2 0 249.358 1.877 20 0 BDADRP Cc1cc(N[C@@H](C)C[C@H]2COCC[NH2+]2)cnc1C ZINC000925767652 646469419 /nfs/dbraw/zinc/46/94/19/646469419.db2.gz GKMZUXBGNJKEPC-FZMZJTMJSA-N 2 0 249.358 1.877 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC[C@H]1CCCO1 ZINC000925773940 646472839 /nfs/dbraw/zinc/47/28/39/646472839.db2.gz IGBKLNJMAGABRW-HBNTYKKESA-N 2 0 200.326 1.271 20 0 BDADRP C([NH2+][C@@H]1CCC[NH2+]CC1)[C@H]1CC2(CCC2)CO1 ZINC000925772143 646472969 /nfs/dbraw/zinc/47/29/69/646472969.db2.gz GEPNJLQPKXFEEW-CHWSQXEVSA-N 2 0 238.375 1.677 20 0 BDADRP C1CO[C@@]2(C1)CCC[C@@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000925775057 646475344 /nfs/dbraw/zinc/47/53/44/646475344.db2.gz ZHPGMVUGXIYZKE-HZSPNIEDSA-N 2 0 238.375 1.820 20 0 BDADRP C[C@@H](CCCc1cccnc1)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000925778400 646476042 /nfs/dbraw/zinc/47/60/42/646476042.db2.gz CKMRYIYRQRYFFS-VNHYZAJKSA-N 2 0 247.386 1.990 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC[C@@H]1CC(C)(C)CO1 ZINC000925775718 646476170 /nfs/dbraw/zinc/47/61/70/646476170.db2.gz RMTHSKKWLKTYBY-SDDRHHMPSA-N 2 0 228.380 1.907 20 0 BDADRP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)C1CCSCC1 ZINC000925781569 646477331 /nfs/dbraw/zinc/47/73/31/646477331.db2.gz AVBJNZPJHVGBEJ-CKYFFXLPSA-N 2 0 228.405 1.716 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925783506 646479528 /nfs/dbraw/zinc/47/95/28/646479528.db2.gz CXWPHBIWQJXSCT-XQHKEYJVSA-N 3 0 239.407 1.338 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)C1CCSCC1 ZINC000925786806 646482667 /nfs/dbraw/zinc/48/26/67/646482667.db2.gz VJCUOUZRLUTJRA-WZRBSPASSA-N 2 0 242.432 1.963 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cccc(O)c1 ZINC000925788872 646485190 /nfs/dbraw/zinc/48/51/90/646485190.db2.gz CQMLTPXQKUTJJT-WZRBSPASSA-N 2 0 234.343 1.898 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cnn(C)c1 ZINC000925791722 646485264 /nfs/dbraw/zinc/48/52/64/646485264.db2.gz ROCRNTPYXQSEJD-MDZLAQPJSA-N 2 0 236.363 1.316 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000925800285 646487088 /nfs/dbraw/zinc/48/70/88/646487088.db2.gz YHIATTDEMVERIU-XJFOESAGSA-N 3 0 239.407 1.304 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000925795210 646487462 /nfs/dbraw/zinc/48/74/62/646487462.db2.gz GXENDOXATYFPKF-FDYHWXHSSA-N 2 0 226.364 1.389 20 0 BDADRP CCC[C@@H](CC)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925809844 646489966 /nfs/dbraw/zinc/48/99/66/646489966.db2.gz AVMDALDBAAVTAQ-CYBMUJFWSA-N 2 0 227.396 1.578 20 0 BDADRP C[C@H](NCc1cc(N(C)C)cc[nH+]1)[C@H]1CCC[NH2+]1 ZINC000925815732 646492212 /nfs/dbraw/zinc/49/22/12/646492212.db2.gz YVRFMZFFXCVALU-SMDDNHRTSA-N 2 0 248.374 1.378 20 0 BDADRP C[C@@H](CC(C)(C)C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925817402 646494367 /nfs/dbraw/zinc/49/43/67/646494367.db2.gz RITUYXYPZBSSGA-LBPRGKRZSA-N 2 0 241.423 1.824 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1C[C@H]1[C@@H]1C[C@H]1C ZINC000925821731 646494972 /nfs/dbraw/zinc/49/49/72/646494972.db2.gz IIVYHLMNNFLONR-NJMOYASZSA-N 2 0 226.364 1.374 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)[C@H]1CC[NH2+]C1 ZINC000925829077 646499423 /nfs/dbraw/zinc/49/94/23/646499423.db2.gz AXNSCYACHPYVCV-HTOAHKCRSA-N 2 0 236.359 1.165 20 0 BDADRP FC(F)(F)[C@@H]1C[C@H]1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000925829901 646499817 /nfs/dbraw/zinc/49/98/17/646499817.db2.gz AZOHEJKCTMMMBV-IVZWLZJFSA-N 2 0 236.281 1.917 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)[C@@H]1CCC[NH2+]1 ZINC000925829324 646499934 /nfs/dbraw/zinc/49/99/34/646499934.db2.gz CDEGCGKJGCRCRC-BJJPWKGXSA-N 2 0 236.359 1.308 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000925833799 646503281 /nfs/dbraw/zinc/50/32/81/646503281.db2.gz YJDOWFDDFAILIG-RQJABVFESA-N 2 0 238.375 1.685 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCS[C@@H](C)C1 ZINC000925855441 646511392 /nfs/dbraw/zinc/51/13/92/646511392.db2.gz CMYGGRUWKMQEOK-SRVKXCTJSA-N 2 0 246.420 1.614 20 0 BDADRP COC[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)C(C)C ZINC000925872994 646524757 /nfs/dbraw/zinc/52/47/57/646524757.db2.gz CNHQAHWAAAMGBG-RWMBFGLXSA-N 2 0 240.391 1.765 20 0 BDADRP COC[C@H](C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)C(C)C ZINC000925872993 646524780 /nfs/dbraw/zinc/52/47/80/646524780.db2.gz CNHQAHWAAAMGBG-AVGNSLFASA-N 2 0 240.391 1.765 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000925879439 646528816 /nfs/dbraw/zinc/52/88/16/646528816.db2.gz DQRJBHLWWIPZSG-JLUCKKNBSA-N 3 0 245.370 1.848 20 0 BDADRP Cn1ccnc1[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)C1CC1 ZINC000925881727 646530474 /nfs/dbraw/zinc/53/04/74/646530474.db2.gz FEIHKQPVKAGFAG-KGYLQXTDSA-N 2 0 248.374 1.588 20 0 BDADRP C1CC1([NH2+][C@@H]1CCC[NH2+]CC1)[C@H]1CCCCO1 ZINC000925893122 646534496 /nfs/dbraw/zinc/53/44/96/646534496.db2.gz LKRVIQIKQHOBGS-CHWSQXEVSA-N 2 0 238.375 1.820 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C2([C@@H]3CCCCO3)CC2)C1 ZINC000925894247 646535443 /nfs/dbraw/zinc/53/54/43/646535443.db2.gz VLTGGZXPUXUJSP-AGIUHOORSA-N 2 0 238.375 1.948 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CC(F)(F)C1 ZINC000926283104 646610532 /nfs/dbraw/zinc/61/05/32/646610532.db2.gz JBXQYUDEGNRJMZ-SLHIUPAKSA-N 2 0 230.302 1.714 20 0 BDADRP C[C@H](CC[NH2+]CC1CC[NH+](C)CC1)[S@@](C)=O ZINC000229791988 711839086 /nfs/dbraw/zinc/83/90/86/711839086.db2.gz SVRDIPADRTZMNL-BDJLRTHQSA-N 2 0 246.420 1.075 20 0 BDADRP COC[C@H](C[NH+]1CCC(CC[NH3+])CC1)C(C)C ZINC000721962606 711843630 /nfs/dbraw/zinc/84/36/30/711843630.db2.gz PWCCBGSRIJVMBS-AWEZNQCLSA-N 2 0 242.407 1.966 20 0 BDADRP CC(C)N1CC[NH+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000232636532 711841167 /nfs/dbraw/zinc/84/11/67/711841167.db2.gz VMUKIPZQTZOJRD-UONOGXRCSA-N 2 0 239.407 1.401 20 0 BDADRP [NH3+]CC[C@H]1CCCC[N@@H+]1C/C=C/Cl ZINC000069721152 711893218 /nfs/dbraw/zinc/89/32/18/711893218.db2.gz WYAWJLBECPBWPE-QLCVYAKKSA-N 2 0 202.729 1.942 20 0 BDADRP CO[C@H]1C[C@@H](CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000721921287 711937155 /nfs/dbraw/zinc/93/71/55/711937155.db2.gz XJCHHXPTFYJVBA-NDBYEHHHSA-N 2 0 224.348 1.095 20 0 BDADRP C[NH2+]CC1CC[NH+](C[C@H]2C[C@@H](OC)C2)CC1 ZINC000721928173 711937824 /nfs/dbraw/zinc/93/78/24/711937824.db2.gz OCCNBGJEKIOKCK-BETUJISGSA-N 2 0 226.364 1.343 20 0 BDADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](CC1CCCC1)C2 ZINC000702111995 712039550 /nfs/dbraw/zinc/03/95/50/712039550.db2.gz VJIQYBTZYLYIFM-QWHCGFSZSA-N 2 0 208.349 1.718 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]CC2=CCCC2)C12CCC2 ZINC000702365259 712048380 /nfs/dbraw/zinc/04/83/80/712048380.db2.gz VMTOCLJYXUNOBZ-RYUDHWBXSA-N 2 0 206.333 1.956 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CC[C@@H]1CCSC1 ZINC000704810558 712118119 /nfs/dbraw/zinc/11/81/19/712118119.db2.gz BIWJXVGQGQDPOC-NEPJUHHUSA-N 2 0 246.420 1.473 20 0 BDADRP CN1CCC([NH2+]CC[C@H]2CCSC2)CC1 ZINC000704816351 712118343 /nfs/dbraw/zinc/11/83/43/712118343.db2.gz VIGHMECQESQJDT-NSHDSACASA-N 2 0 228.405 1.813 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)CC[C@H]1[NH3+] ZINC000708325821 712187143 /nfs/dbraw/zinc/18/71/43/712187143.db2.gz YESNWMVNFSIIAR-GRYCIOLGSA-N 2 0 226.364 1.471 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC000708338117 712189062 /nfs/dbraw/zinc/18/90/62/712189062.db2.gz REWYFXMKEPDTOI-SRVKXCTJSA-N 2 0 226.364 1.471 20 0 BDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCc1ccns1 ZINC000709968006 712235862 /nfs/dbraw/zinc/23/58/62/712235862.db2.gz UNWIWBBUVBVDCO-UWVGGRQHSA-N 2 0 225.361 1.401 20 0 BDADRP CC[C@@H]1COC[C@H]1[NH2+]C[C@H]1CC[N@H+](CC)C1 ZINC000711106648 712280753 /nfs/dbraw/zinc/28/07/53/712280753.db2.gz GULXXJZBNJRJTB-JHJVBQTASA-N 2 0 226.364 1.343 20 0 BDADRP FC[C@@H]1CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000711440263 712300557 /nfs/dbraw/zinc/30/05/57/712300557.db2.gz DBOCEWLKUXCOCZ-NWDGAFQWSA-N 2 0 242.338 1.189 20 0 BDADRP [NH3+]C1CC[NH+](C[C@@H]2CCC3(CCC3)O2)CC1 ZINC000711471754 712303237 /nfs/dbraw/zinc/30/32/37/712303237.db2.gz VAJSHEMEUGARPX-LBPRGKRZSA-N 2 0 224.348 1.511 20 0 BDADRP C[C@H]1CCC[N@H+](CCOC2CC2)[C@@H]1CC[NH3+] ZINC000711776981 712328765 /nfs/dbraw/zinc/32/87/65/712328765.db2.gz PYLSVRUHZMWSLJ-WCQYABFASA-N 2 0 226.364 1.615 20 0 BDADRP CC(C)(C)[NH2+]CCCNC(=[NH2+])NC1CC1 ZINC000379425539 712384587 /nfs/dbraw/zinc/38/45/87/712384587.db2.gz BVOSURGOSMMORC-UHFFFAOYSA-N 2 0 212.341 1.041 20 0 BDADRP C[NH2+][C@@H]1CCN(CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000712685427 712440405 /nfs/dbraw/zinc/44/04/05/712440405.db2.gz LVUNVCFSUPBUMF-UPJWGTAASA-N 2 0 208.349 1.716 20 0 BDADRP C[C@]1(C[NH3+])CCN(CCCOC(F)(F)F)C1 ZINC000713398394 712459291 /nfs/dbraw/zinc/45/92/91/712459291.db2.gz JXBYOWNORPZUGJ-SECBINFHSA-N 2 0 240.269 1.584 20 0 BDADRP C[C@@]1(C[NH3+])CC[N@H+](C[C@@H]2CCC(C)(C)CO2)C1 ZINC000713588927 712465907 /nfs/dbraw/zinc/46/59/07/712465907.db2.gz YGWQFHOKMFDBJT-JSGCOSHPSA-N 2 0 240.391 1.862 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CN1C[C@@H]1CCCC(C)(C)O1 ZINC000714330298 712482031 /nfs/dbraw/zinc/48/20/31/712482031.db2.gz MBZLYBGISDQASX-UTUOFQBUSA-N 2 0 226.364 1.756 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC000714622835 712488924 /nfs/dbraw/zinc/48/89/24/712488924.db2.gz BULVSWBRPDLIMS-BJDJZHNGSA-N 2 0 212.337 1.128 20 0 BDADRP FC1(F)[C@H]2C[N@H+](CCC3CC[NH2+]CC3)C[C@H]21 ZINC000715458754 712519742 /nfs/dbraw/zinc/51/97/42/712519742.db2.gz KLQKUUIYBOMPNC-PHIMTYICSA-N 2 0 230.302 1.573 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)C1CC1 ZINC000715509657 712524339 /nfs/dbraw/zinc/52/43/39/712524339.db2.gz NWCWXGUUHZIJIW-MGPQQGTHSA-N 2 0 240.391 1.874 20 0 BDADRP C[NH+](C)C1(C)CCC([NH2+]Cc2cnc[nH]2)CC1 ZINC000715514396 712524957 /nfs/dbraw/zinc/52/49/57/712524957.db2.gz WEWYNJNODNVTOO-UHFFFAOYSA-N 2 0 236.363 1.762 20 0 BDADRP CC[C@H](C[C@@H](C)O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000716841461 712578059 /nfs/dbraw/zinc/57/80/59/712578059.db2.gz DZSKUICJAMFLSU-DUJLVANISA-N 2 0 240.391 1.751 20 0 BDADRP CC[C@H](C[C@H](C)O)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000716853566 712578557 /nfs/dbraw/zinc/57/85/57/712578557.db2.gz PPYUFTGPLFPDKB-DGAVXFQQSA-N 2 0 240.391 1.752 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H](CC)C[C@H](C)O)CC1 ZINC000716855817 712578752 /nfs/dbraw/zinc/57/87/52/712578752.db2.gz XJELBXZPZULHER-QWHCGFSZSA-N 2 0 242.407 2.000 20 0 BDADRP CCC[C@@H](CCO)[NH2+]CC1CC[NH+](C)CC1 ZINC000716957273 712600100 /nfs/dbraw/zinc/60/01/00/712600100.db2.gz YFWHNLGDOJXWPX-ZDUSSCGKSA-N 2 0 228.380 1.469 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)C1CC1 ZINC000717340855 712649530 /nfs/dbraw/zinc/64/95/30/712649530.db2.gz VDWQHICYTOEOAU-WPRPVWTQSA-N 2 0 218.291 1.619 20 0 BDADRP COC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)C1CC1 ZINC000717340353 712649659 /nfs/dbraw/zinc/64/96/59/712649659.db2.gz SBOAPIZYPIXKAA-WDEREUQCSA-N 2 0 248.317 1.246 20 0 BDADRP COCC(C)(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000718726261 712778651 /nfs/dbraw/zinc/77/86/51/712778651.db2.gz JVEZHZMVKNOBQS-FUNVUKJBSA-N 2 0 240.391 1.922 20 0 BDADRP CSCC1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000719271339 712802692 /nfs/dbraw/zinc/80/26/92/712802692.db2.gz LZWPTWCHCVVFML-YPMHNXCESA-N 2 0 242.432 1.917 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@H](C)CC2)CC[NH2+]1 ZINC000719777928 712824581 /nfs/dbraw/zinc/82/45/81/712824581.db2.gz JLMSCVWTCPEXBS-JHJVBQTASA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H]1CC[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000719768440 712823613 /nfs/dbraw/zinc/82/36/13/712823613.db2.gz IFIXNCAQYANVGN-NSHDSACASA-N 2 0 212.337 1.097 20 0 BDADRP C[C@]1(C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)CC[NH2+]C1 ZINC000381570528 710655877 /nfs/dbraw/zinc/65/58/77/710655877.db2.gz WXEAFNKBQXSPPM-MJBXVCDLSA-N 2 0 220.360 1.884 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@@H](CCO)C2CC2)CCN1C ZINC000381729339 710689712 /nfs/dbraw/zinc/68/97/12/710689712.db2.gz NDNBIDHVMQJOLV-WXHSDQCUSA-N 2 0 226.364 1.220 20 0 BDADRP COC[C@H](C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1)C(C)C ZINC000721963721 710694675 /nfs/dbraw/zinc/69/46/75/710694675.db2.gz LDXYPUIHVWRJTG-IHRRRGAJSA-N 2 0 242.407 1.822 20 0 BDADRP C[C@@H]1[C@H](C)OCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000380502648 712901234 /nfs/dbraw/zinc/90/12/34/712901234.db2.gz GWLLUBLTZDSTMF-KXNHARMFSA-N 2 0 212.337 1.223 20 0 BDADRP C1[NH2+][C@@H]2[C@H]([NH2+][C@@H]3CCCSC3)[C@H]3C[C@@H]1[C@@H]2C3 ZINC000382044645 710767941 /nfs/dbraw/zinc/76/79/41/710767941.db2.gz KBFYIMRSCXZWAV-NURVWSNCSA-N 2 0 238.400 1.468 20 0 BDADRP C1CCC([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000382117183 710794371 /nfs/dbraw/zinc/79/43/71/710794371.db2.gz FTQKWNLVVBCPFA-MNSQCTGESA-N 2 0 206.333 1.515 20 0 BDADRP C[C@@H]1NCCC[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000396715118 710906937 /nfs/dbraw/zinc/90/69/37/710906937.db2.gz QYNAHYUXEHZIBP-WCQYABFASA-N 2 0 225.380 1.058 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@H]1CCCN[C@@H]1C ZINC000396712768 710907955 /nfs/dbraw/zinc/90/79/55/710907955.db2.gz RRTSVNZABPCEEH-WOPDTQHZSA-N 2 0 214.353 1.268 20 0 BDADRP CCOCCC[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000133089471 710967662 /nfs/dbraw/zinc/96/76/62/710967662.db2.gz WCFZFUMNLKKCJT-NEPJUHHUSA-N 2 0 214.353 1.330 20 0 BDADRP CC[N@H+](CCN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C1CC1 ZINC000385543575 711015070 /nfs/dbraw/zinc/01/50/70/711015070.db2.gz VAZNFVRNXOFVNV-WPTOEGHWSA-N 2 0 249.402 1.057 20 0 BDADRP C[C@@H]1CCN(C[C@@H]([NH3+])CC(F)F)C[C@H]1C ZINC000389706339 711086482 /nfs/dbraw/zinc/08/64/82/711086482.db2.gz LBJJGDKWQYJZNY-BBBLOLIVSA-N 2 0 220.307 1.947 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](CCCC(C)(F)F)C1 ZINC000390019674 711104855 /nfs/dbraw/zinc/10/48/55/711104855.db2.gz CMGMPVDEAYUREM-SNVBAGLBSA-N 2 0 220.307 1.963 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCOC2CCC2)CC[N@@H+]1C ZINC000390593260 711128511 /nfs/dbraw/zinc/12/85/11/711128511.db2.gz ZUWWFTUNGIMEIT-NWDGAFQWSA-N 2 0 226.364 1.628 20 0 BDADRP C[C@@H](Cn1ccnc1)[NH2+]C1CC(C(F)F)C1 ZINC000393797878 711174382 /nfs/dbraw/zinc/17/43/82/711174382.db2.gz MGGMCTSXLGEOEL-IDKOKCKLSA-N 2 0 229.274 1.905 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@H]1CCC[NH2+][C@@H]1C ZINC000396612572 711360799 /nfs/dbraw/zinc/36/07/99/711360799.db2.gz KMSDKXYALRYIOI-OLZOCXBDSA-N 2 0 227.396 1.447 20 0 BDADRP C[C@@H]([NH2+]Cc1cn(C)cn1)C1CC[NH+](C)CC1 ZINC000396455784 711220725 /nfs/dbraw/zinc/22/07/25/711220725.db2.gz MOSZUTDVZSKQAP-LLVKDONJSA-N 2 0 236.363 1.240 20 0 BDADRP CC1CC[NH+](CCN[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000396602888 711358815 /nfs/dbraw/zinc/35/88/15/711358815.db2.gz NYNLALBWAKTKMN-ZIAGYGMSSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](C)N1CCCCC1 ZINC000383610359 710985137 /nfs/dbraw/zinc/98/51/37/710985137.db2.gz SMYWMSHWBCRZPI-KBPBESRZSA-N 2 0 241.423 1.968 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc[nH]c(=O)c2)C1 ZINC000392655235 711149809 /nfs/dbraw/zinc/14/98/09/711149809.db2.gz XGHUUMZBSJIMEE-GFCCVEGCSA-N 2 0 235.331 1.219 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1NCC[NH+]1CCCCC1 ZINC000396663555 711363266 /nfs/dbraw/zinc/36/32/66/711363266.db2.gz HPNXKUPOVZELRN-QWHCGFSZSA-N 2 0 225.380 1.202 20 0 BDADRP C[C@H]1[NH2+]CCC[C@H]1NCC1([NH+](C)C)CCC1 ZINC000396724432 711366107 /nfs/dbraw/zinc/36/61/07/711366107.db2.gz VHCTUYCBXWMNRB-VXGBXAGGSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@@H]1CCC[N@H+](C)C1 ZINC000396722081 711369014 /nfs/dbraw/zinc/36/90/14/711369014.db2.gz UISSNAOLXZGOLH-AVGNSLFASA-N 2 0 225.380 1.058 20 0 BDADRP COC[C@@H]([NH2+]CCC(C)(C)[NH3+])C1CC1 ZINC000397263624 711379729 /nfs/dbraw/zinc/37/97/29/711379729.db2.gz UHNNVJZKSFUGNB-SNVBAGLBSA-N 2 0 200.326 1.128 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CS1 ZINC000397891459 711394797 /nfs/dbraw/zinc/39/47/97/711394797.db2.gz PUSTYHOXXAHCQG-FBSIBHIPSA-N 2 0 238.400 1.466 20 0 BDADRP C=C/C=C\CC[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000713757428 711455036 /nfs/dbraw/zinc/45/50/36/711455036.db2.gz IPWPDPAWZRYNII-NTQVKLLNSA-N 2 0 224.348 1.414 20 0 BDADRP C([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C1CCC1 ZINC000382193017 711474054 /nfs/dbraw/zinc/47/40/54/711474054.db2.gz HYOWHSJXEMDYND-JZRPKSSGSA-N 2 0 206.333 1.373 20 0 BDADRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]C2CSC2)C1 ZINC000307428581 711480332 /nfs/dbraw/zinc/48/03/32/711480332.db2.gz UEIPVOVGYVZGAT-ONGXEEELSA-N 2 0 214.378 1.564 20 0 BDADRP C([NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000723647501 711530355 /nfs/dbraw/zinc/53/03/55/711530355.db2.gz QCCLSNZBVLQAGV-RQJABVFESA-N 2 0 238.375 1.533 20 0 BDADRP CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000891475238 711532327 /nfs/dbraw/zinc/53/23/27/711532327.db2.gz DVJUCDYPCUWVDH-GXTWGEPZSA-N 2 0 240.391 1.828 20 0 BDADRP CCc1noc(C)c1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723708909 711535693 /nfs/dbraw/zinc/53/56/93/711535693.db2.gz IUPVRUGEZXWJGF-LLVKDONJSA-N 2 0 237.347 1.716 20 0 BDADRP CCn1cc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cn1 ZINC000723909619 711545099 /nfs/dbraw/zinc/54/50/99/711545099.db2.gz RSNBHIFKYLLAKL-DGCLKSJQSA-N 2 0 236.363 1.320 20 0 BDADRP CCC(O)(CC)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000383333621 711587165 /nfs/dbraw/zinc/58/71/65/711587165.db2.gz QQHUTJQXSDSCHJ-JZRPKSSGSA-N 2 0 238.375 1.124 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](CCCn3ccnc3)C[C@@H]2C1 ZINC000931439851 711713876 /nfs/dbraw/zinc/71/38/76/711713876.db2.gz OXGMEPKQZMWGHH-KGLIPLIRSA-N 2 0 248.374 1.157 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc3c[nH]nc3c2)C1 ZINC000334847920 711718978 /nfs/dbraw/zinc/71/89/78/711718978.db2.gz YELZGBNHXCLKQC-CHWSQXEVSA-N 2 0 244.342 1.922 20 0 BDADRP c1[nH]nc2c1[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)CCC2 ZINC000335018338 711719288 /nfs/dbraw/zinc/71/92/88/711719288.db2.gz FQYAERKMPQBKEO-PWSUYJOCSA-N 2 0 234.347 1.376 20 0 BDADRP Cc1nocc1CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257667988 711724646 /nfs/dbraw/zinc/72/46/46/711724646.db2.gz HSVCADDDPGIKPT-ZDUSSCGKSA-N 2 0 235.331 1.559 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 ZINC000722315778 711734547 /nfs/dbraw/zinc/73/45/47/711734547.db2.gz IEXDYXKIZHFOET-XDQVBPFNSA-N 2 0 238.375 1.661 20 0 BDADRP COC(=O)CC[N@H+](CC1CC[NH2+]CC1)C(C)C ZINC000094025881 711736741 /nfs/dbraw/zinc/73/67/41/711736741.db2.gz GFKYAWMEYBKOMO-UHFFFAOYSA-N 2 0 242.363 1.260 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C2CC2)O1)C1C[NH2+]C1 ZINC000722325351 711737443 /nfs/dbraw/zinc/73/74/43/711737443.db2.gz PPAAEPCRZLBFCZ-ZWKOPEQDSA-N 2 0 224.348 1.142 20 0 BDADRP C[NH+](C)[C@@H](CN[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000094074641 711738754 /nfs/dbraw/zinc/73/87/54/711738754.db2.gz ULGTVHBKPINNFL-KBPBESRZSA-N 2 0 233.359 1.241 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)CCO1 ZINC000925845623 711760684 /nfs/dbraw/zinc/76/06/84/711760684.db2.gz MQHAEVDYQLPRAI-XJFOESAGSA-N 2 0 238.375 1.676 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCO[C@H]1CCOC1 ZINC000925875392 711761532 /nfs/dbraw/zinc/76/15/32/711761532.db2.gz SKFRBPRZLZLKJS-YNEHKIRRSA-N 2 0 242.363 1.042 20 0 BDADRP c1ccc2c(c1)CCO[C@H]2CCN[C@H]1CC[NH2+]C1 ZINC000925879585 711762138 /nfs/dbraw/zinc/76/21/38/711762138.db2.gz ABLVSHYPIHZQJM-ZFWWWQNUSA-N 2 0 246.354 1.642 20 0 BDADRP Cc1ccc(O)c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000229066285 711837283 /nfs/dbraw/zinc/83/72/83/711837283.db2.gz JSDQYWJUGFUARG-PWSUYJOCSA-N 2 0 249.358 1.512 20 0 BDADRP Cc1cnc(C[N@@H+](C)C2CCC([NH3+])CC2)o1 ZINC000700332891 711989983 /nfs/dbraw/zinc/98/99/83/711989983.db2.gz LMJJKTXXYYFCON-UHFFFAOYSA-N 2 0 223.320 1.685 20 0 BDADRP C[N@H+](C[C@@H]1CCCCO1)C[C@@H]1CCCC[NH2+]C1 ZINC000700382836 711991607 /nfs/dbraw/zinc/99/16/07/711991607.db2.gz GIZSLBQXQAWAJM-KGLIPLIRSA-N 2 0 240.391 1.877 20 0 BDADRP COC1CC([NH2+]CC[C@H](C)[NH+](C)C)C1 ZINC000700506893 711995551 /nfs/dbraw/zinc/99/55/51/711995551.db2.gz CRCPXGZEASIMHA-WHXUTIOJSA-N 2 0 200.326 1.094 20 0 BDADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCC1CCC1)C2 ZINC000702110619 712038917 /nfs/dbraw/zinc/03/89/17/712038917.db2.gz KJGVZFONFWWYFV-QWHCGFSZSA-N 2 0 208.349 1.718 20 0 BDADRP [NH3+]CCCCCCC[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000702094996 712039040 /nfs/dbraw/zinc/03/90/40/712039040.db2.gz WWLIIQAPALIQEH-KBPBESRZSA-N 2 0 240.391 1.864 20 0 BDADRP C[C@@H]1C[C@@H](C[N@H+](C)CCCF)CC[NH2+]1 ZINC000703161286 712067077 /nfs/dbraw/zinc/06/70/77/712067077.db2.gz AJTFIUYKWMEGCW-MNOVXSKESA-N 2 0 202.317 1.666 20 0 BDADRP COC1CC(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000703851319 712090433 /nfs/dbraw/zinc/09/04/33/712090433.db2.gz NYWDMLKDWBVMFV-NPBHJFFNSA-N 2 0 224.348 1.081 20 0 BDADRP CCC(F)(F)CN1CC[C@@H](CC[NH3+])C1 ZINC000704724651 712114132 /nfs/dbraw/zinc/11/41/32/712114132.db2.gz UTHSXQJWHUTXKQ-SECBINFHSA-N 2 0 206.280 1.702 20 0 BDADRP CN(C[C@@H]([NH3+])CC(F)F)C[C@@H]1CCC[N@H+](C)C1 ZINC000705138797 712123423 /nfs/dbraw/zinc/12/34/23/712123423.db2.gz RQCGTQLMUAVMTH-MNOVXSKESA-N 2 0 249.349 1.243 20 0 BDADRP Cc1cnccc1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000705311254 712127553 /nfs/dbraw/zinc/12/75/53/712127553.db2.gz YWWCBFPBGLIMPI-LBPRGKRZSA-N 2 0 219.332 1.561 20 0 BDADRP COC[C@H]1C[N@H+](CCCCCCC[NH3+])CCO1 ZINC000705819825 712136475 /nfs/dbraw/zinc/13/64/75/712136475.db2.gz MVIQDNOMMKGFSU-CYBMUJFWSA-N 2 0 244.379 1.243 20 0 BDADRP COCC1([N@H+](C)CCCCCC[NH3+])CC1 ZINC000706414662 712145741 /nfs/dbraw/zinc/14/57/41/712145741.db2.gz AIHTUQQVUFCUEY-UHFFFAOYSA-N 2 0 214.353 1.616 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)C[C@H]1C[NH3+] ZINC000708080683 712181105 /nfs/dbraw/zinc/18/11/05/712181105.db2.gz BINNJIXDTLLJEG-POQQGIQPSA-N 2 0 238.375 1.471 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC000708322813 712187310 /nfs/dbraw/zinc/18/73/10/712187310.db2.gz HTLNNJBODGNBGS-CHWSQXEVSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2CC(C)(C)CO2)C[C@@H]1C[NH3+] ZINC000708348304 712190333 /nfs/dbraw/zinc/19/03/33/712190333.db2.gz MLFOAIQXHICKMT-AGIUHOORSA-N 2 0 240.391 1.718 20 0 BDADRP CC1(C)CO[C@H](C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000708411606 712194140 /nfs/dbraw/zinc/19/41/40/712194140.db2.gz OFXMKFZGWCXZGU-XQQFMLRXSA-N 2 0 238.375 1.343 20 0 BDADRP C[C@@H](C[N@H+](C)C[C@H](O)C[NH3+])CC(C)(C)C ZINC000709133217 712210123 /nfs/dbraw/zinc/21/01/23/712210123.db2.gz YMHTUMKOUQUNEM-GHMZBOCLSA-N 2 0 216.369 1.310 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+]C1CCC([NH3+])CC1)[NH2+]2 ZINC000709293667 712219407 /nfs/dbraw/zinc/21/94/07/712219407.db2.gz URJNVLUHJMITGE-OVJHGDHESA-N 3 0 237.391 1.375 20 0 BDADRP CC(C)[C@H](O)C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000709771551 712220909 /nfs/dbraw/zinc/22/09/09/712220909.db2.gz BENHJHUYHRWAFI-GFCCVEGCSA-N 2 0 228.380 1.419 20 0 BDADRP C[C@H]1C[N@H+](CCc2ccns2)CC[C@@H]1[NH3+] ZINC000709965341 712235263 /nfs/dbraw/zinc/23/52/63/712235263.db2.gz BJVXZJOTBVVIPW-ONGXEEELSA-N 2 0 225.361 1.355 20 0 BDADRP C[C@@]1(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)CCC[NH2+]C1 ZINC000710299030 712250976 /nfs/dbraw/zinc/25/09/76/712250976.db2.gz VWCULKRZMZBWCQ-HZSPNIEDSA-N 2 0 238.375 1.487 20 0 BDADRP CCC[C@@H](C)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710642696 712264436 /nfs/dbraw/zinc/26/44/36/712264436.db2.gz RHCDDDQTJJYDAV-GFCCVEGCSA-N 2 0 228.380 1.564 20 0 BDADRP CC[N@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000710966571 712269555 /nfs/dbraw/zinc/26/95/55/712269555.db2.gz XVNFGVBTLZXKMI-UHFFFAOYSA-N 2 0 210.346 1.846 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@H](CF)C1 ZINC000711417188 712299483 /nfs/dbraw/zinc/29/94/83/712299483.db2.gz UEPZRSVMAVQTJV-MXWKQRLJSA-N 2 0 200.301 1.133 20 0 BDADRP C[C@H]1C[C@@H](C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)CC[NH2+]1 ZINC000711591295 712311091 /nfs/dbraw/zinc/31/10/91/712311091.db2.gz WARXMVKJDXSELS-ZDEQEGDKSA-N 2 0 240.416 1.669 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](CCOC2CC2)C1 ZINC000711751828 712325046 /nfs/dbraw/zinc/32/50/46/712325046.db2.gz IBIGHIMNTFNLRS-NSHDSACASA-N 2 0 212.337 1.226 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@H+](CCOC2CC2)C1 ZINC000711753406 712325089 /nfs/dbraw/zinc/32/50/89/712325089.db2.gz QNMVZSVQXZTKEY-LLVKDONJSA-N 2 0 212.337 1.097 20 0 BDADRP C[N@H+](CCCCCC[NH3+])CCOC1CC1 ZINC000711778012 712328808 /nfs/dbraw/zinc/32/88/08/712328808.db2.gz ZNKQVKXEKIPSLW-UHFFFAOYSA-N 2 0 214.353 1.616 20 0 BDADRP CC(C)CC[C@H](O)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923480141 712334349 /nfs/dbraw/zinc/33/43/49/712334349.db2.gz VWCMDEKYEYYJNW-OLZOCXBDSA-N 2 0 228.380 1.454 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000923479195 712334378 /nfs/dbraw/zinc/33/43/78/712334378.db2.gz OGFJKELLYHEROU-WISYIIOYSA-N 2 0 244.329 1.948 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](CCC2SCCS2)C1 ZINC000923480309 712334645 /nfs/dbraw/zinc/33/46/45/712334645.db2.gz WSIQIFXCWVKECN-SNVBAGLBSA-N 2 0 246.445 1.853 20 0 BDADRP C[C@@H](c1ncccn1)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923479450 712334655 /nfs/dbraw/zinc/33/46/55/712334655.db2.gz PBCSEKUUSRAOMI-QWRGUYRKSA-N 2 0 220.320 1.208 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923479439 712334716 /nfs/dbraw/zinc/33/47/16/712334716.db2.gz OXGISVTZDVYDKM-QJPTWQEYSA-N 2 0 212.337 1.082 20 0 BDADRP CCc1cc(NC[C@H]2CC[N@@H+]2C)cc[nH+]1 ZINC000712592966 712435474 /nfs/dbraw/zinc/43/54/74/712435474.db2.gz VFYXBNKWTREMAJ-GFCCVEGCSA-N 2 0 205.305 1.182 20 0 BDADRP CN1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCC1(C)C ZINC000712622269 712438624 /nfs/dbraw/zinc/43/86/24/712438624.db2.gz NEBYVOYKRILYRA-TXEJJXNPSA-N 2 0 225.380 1.140 20 0 BDADRP COCC(C)(C)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000712661895 712439912 /nfs/dbraw/zinc/43/99/12/712439912.db2.gz BVLJDCONQYUXMG-NEPJUHHUSA-N 2 0 228.380 1.576 20 0 BDADRP CC[N@@H+]1CC[C@@H]1CNc1cc[nH+]c(C)c1 ZINC000712566161 712446673 /nfs/dbraw/zinc/44/66/73/712446673.db2.gz VEIHGBKMXRKHLC-GFCCVEGCSA-N 2 0 205.305 1.318 20 0 BDADRP FCCC[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000713155648 712453264 /nfs/dbraw/zinc/45/32/64/712453264.db2.gz BHCSADIEJLCSNE-UHFFFAOYSA-N 2 0 200.301 1.564 20 0 BDADRP C[C@H]1CC[C@H](C[N@@H+]2CC[NH2+]CCC23CCC3)O1 ZINC000713209541 712455139 /nfs/dbraw/zinc/45/51/39/712455139.db2.gz CIKWYQYNKAOPDM-QWHCGFSZSA-N 2 0 238.375 1.772 20 0 BDADRP C=C/C=C/CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000713501147 712463652 /nfs/dbraw/zinc/46/36/52/712463652.db2.gz DXYDEGLSKKEMHH-ITDFMYJTSA-N 2 0 224.348 1.165 20 0 BDADRP CC1(C)CC[C@H](C[NH+]2CCC([NH3+])CC2)OC1 ZINC000713595982 712466002 /nfs/dbraw/zinc/46/60/02/712466002.db2.gz KAOMCPXPHQEORI-GFCCVEGCSA-N 2 0 226.364 1.615 20 0 BDADRP C=C/C=C/CC[N@@H+](C)CCOCC[NH2+]C ZINC000713755552 712471740 /nfs/dbraw/zinc/47/17/40/712471740.db2.gz OBIDOEVGWBJIPI-AATRIKPKSA-N 2 0 212.337 1.287 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](C[C@H]2CCCC(C)(C)O2)C1 ZINC000714376437 712485142 /nfs/dbraw/zinc/48/51/42/712485142.db2.gz ZQGWNKULACRXAQ-CHWSQXEVSA-N 2 0 240.391 1.875 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000714630365 712488893 /nfs/dbraw/zinc/48/88/93/712488893.db2.gz LOYASJNASNJWHI-QNSTZXKLSA-N 2 0 238.375 1.389 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000714642614 712495363 /nfs/dbraw/zinc/49/53/63/712495363.db2.gz ZFAPBYKZOOZJFH-SRVKXCTJSA-N 2 0 214.353 1.519 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000714692772 712495969 /nfs/dbraw/zinc/49/59/69/712495969.db2.gz WBQHUEFPGDIOBM-FDYHWXHSSA-N 2 0 226.364 1.484 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000714730739 712496717 /nfs/dbraw/zinc/49/67/17/712496717.db2.gz SAXWMQVGPYXYCD-HEEVUFTQSA-N 2 0 224.348 1.284 20 0 BDADRP CCC1([NH3+])CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000714750030 712496834 /nfs/dbraw/zinc/49/68/34/712496834.db2.gz MJDPHMJWJVJKCH-LBPRGKRZSA-N 2 0 226.364 1.616 20 0 BDADRP C[NH+](C)C1CCC([NH2+]Cc2cc[nH]c(=O)c2)CC1 ZINC000715192492 712513189 /nfs/dbraw/zinc/51/31/89/712513189.db2.gz CIRLMFDQMUWZRQ-UHFFFAOYSA-N 2 0 249.358 1.750 20 0 BDADRP CCC1([NH+](C)C)CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000715229367 712513893 /nfs/dbraw/zinc/51/38/93/712513893.db2.gz SECSWXDEPBZGRH-BETUJISGSA-N 3 0 239.407 1.530 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CC[C@H](C3CC3)O2)C[C@H]1C[NH3+] ZINC000715421956 712518388 /nfs/dbraw/zinc/51/83/88/712518388.db2.gz DKCRZJWMJRFSFD-FMKGYKFTSA-N 2 0 238.375 1.471 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CC[C@@H](C3CC3)O2)C[C@H]1C[NH3+] ZINC000715391240 712522434 /nfs/dbraw/zinc/52/24/34/712522434.db2.gz DKCRZJWMJRFSFD-ZZVYKPCYSA-N 2 0 238.375 1.471 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](C[C@@H]2CC[C@H](C3CC3)O2)C1 ZINC000715503841 712523848 /nfs/dbraw/zinc/52/38/48/712523848.db2.gz RJWDVNGCTHMBIL-WCFLWFBJSA-N 2 0 224.348 1.225 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](C[C@H]2CC[C@H](C3CC3)O2)C1 ZINC000715503829 712523956 /nfs/dbraw/zinc/52/39/56/712523956.db2.gz RJWDVNGCTHMBIL-CYZMBNFOSA-N 2 0 224.348 1.225 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H]2CC[C@@H](C3CC3)O2)C1 ZINC000715511681 712524588 /nfs/dbraw/zinc/52/45/88/712524588.db2.gz STZVTGUQECZCDC-GHYVTOPFSA-N 2 0 238.375 1.613 20 0 BDADRP C[NH+](C)C1(C)CCC([NH2+]Cc2cnccn2)CC1 ZINC000715507219 712524594 /nfs/dbraw/zinc/52/45/94/712524594.db2.gz FWPOFHOTNCKPOA-UHFFFAOYSA-N 2 0 248.374 1.829 20 0 BDADRP C[NH+](C)C1CCC([NH2+]Cc2cnccn2)CC1 ZINC000715585951 712527096 /nfs/dbraw/zinc/52/70/96/712527096.db2.gz ZKFGTPGLDJBDSK-UHFFFAOYSA-N 2 0 234.347 1.439 20 0 BDADRP CC[C@@H]1COC[C@@H]1[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000715567464 712528836 /nfs/dbraw/zinc/52/88/36/712528836.db2.gz DZZHXCYAXUMNLE-SYQHCUMBSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H](Cn1cccn1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000037155266 712549885 /nfs/dbraw/zinc/54/98/85/712549885.db2.gz MDEWHEZQQGLLJE-FUDCBSFHSA-N 2 0 248.374 1.486 20 0 BDADRP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000716549094 712567557 /nfs/dbraw/zinc/56/75/57/712567557.db2.gz ZFMGNBZYNKXRPO-QQOHENMQSA-N 2 0 222.376 1.996 20 0 BDADRP C[C@@H]([NH2+]CC1(C)OCCO1)C1CC[NH+](C)CC1 ZINC000716795797 712574184 /nfs/dbraw/zinc/57/41/84/712574184.db2.gz NLNBOJFUCPZHEM-LLVKDONJSA-N 2 0 242.363 1.069 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CC[C@@H]1CC[C@H]2C[C@H]21 ZINC000717112472 712632482 /nfs/dbraw/zinc/63/24/82/712632482.db2.gz NDRLPLSLNYJWOO-XUXIUFHCSA-N 2 0 240.391 1.766 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CCC=CO1 ZINC000380004463 712651891 /nfs/dbraw/zinc/65/18/91/712651891.db2.gz BEWNBMLCSGTCKS-RYUDHWBXSA-N 2 0 212.337 1.786 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CC2CC=CC2)C12CCC2 ZINC000717388541 712653342 /nfs/dbraw/zinc/65/33/42/712653342.db2.gz QSBIWAVUNWZINM-NEPJUHHUSA-N 2 0 206.333 1.812 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H](CO)C2CCC2)C12CCC2 ZINC000717596176 712661043 /nfs/dbraw/zinc/66/10/43/712661043.db2.gz VKUOFOPPOYEKHR-TUAOUCFPSA-N 2 0 224.348 1.007 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC=CO2)C1 ZINC000380029643 712683651 /nfs/dbraw/zinc/68/36/51/712683651.db2.gz YEKMNVZRJTYMHW-GRYCIOLGSA-N 2 0 210.321 1.539 20 0 BDADRP CCO[C@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000717910698 712733041 /nfs/dbraw/zinc/73/30/41/712733041.db2.gz GBNWXJCJHRUQST-WOPDTQHZSA-N 2 0 212.337 1.225 20 0 BDADRP C[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H](C)CO1 ZINC000717954324 712734666 /nfs/dbraw/zinc/73/46/66/712734666.db2.gz CWVLZEWZFZLPGL-YFKTTZPYSA-N 2 0 212.337 1.223 20 0 BDADRP C[C@@H]1[C@H]([NH2+]CC2CC[NH+](C)CC2)CCN1C ZINC000719610328 712816628 /nfs/dbraw/zinc/81/66/28/712816628.db2.gz FYCYZOLXXIVXJH-DGCLKSJQSA-N 2 0 225.380 1.010 20 0 BDADRP C[C@H]([NH2+][C@H]1CCN(C)[C@H]1C)C1CC[NH+](C)CC1 ZINC000719643781 712819428 /nfs/dbraw/zinc/81/94/28/712819428.db2.gz FJDJDIVRVZASRP-OBJOEFQTSA-N 2 0 239.407 1.399 20 0 BDADRP CC(C)[NH+]1CCC(N[C@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000719649988 712820705 /nfs/dbraw/zinc/82/07/05/712820705.db2.gz WKSJGIMEMSQEHL-OCCSQVGLSA-N 2 0 239.407 1.541 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](CCc2ccns2)C1 ZINC000719834013 712823636 /nfs/dbraw/zinc/82/36/36/712823636.db2.gz USRACWCHAILNRU-JTQLQIEISA-N 2 0 225.361 1.356 20 0 BDADRP C[C@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000719784579 712824387 /nfs/dbraw/zinc/82/43/87/712824387.db2.gz YEFMIQMVZKJQRC-NWDGAFQWSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000719784481 712824726 /nfs/dbraw/zinc/82/47/26/712824726.db2.gz XFTUPHSVMUXHLE-UTUOFQBUSA-N 2 0 212.337 1.225 20 0 BDADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@@H]1CC[C@@H]3C[C@@H]3C1)C2 ZINC000720829816 712868824 /nfs/dbraw/zinc/86/88/24/712868824.db2.gz FESKHSFPAHOVOT-NIFZNCRKSA-N 2 0 234.387 1.964 20 0 BDADRP C([C@H]1C[C@H]2CCC[C@@H]2O1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000720866841 712871860 /nfs/dbraw/zinc/87/18/60/712871860.db2.gz DVDTVBRUSAZUDS-HTOAHKCRSA-N 2 0 236.359 1.095 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)C1 ZINC000720873530 712873194 /nfs/dbraw/zinc/87/31/94/712873194.db2.gz QNLUBGZUGDVYCV-CRWXNKLISA-N 2 0 238.375 1.615 20 0 BDADRP [NH3+]CC1CC[NH+](C[C@@H]2C[C@H]3CCC[C@H]3O2)CC1 ZINC000720874078 712873487 /nfs/dbraw/zinc/87/34/87/712873487.db2.gz SBPJUYIWLCEXQW-HZSPNIEDSA-N 2 0 238.375 1.615 20 0 BDADRP C[NH+](C)Cc1ccnc(N2CC[C@@H]3C[C@]3([NH3+])C2)c1 ZINC001164418902 718896803 /nfs/dbraw/zinc/89/68/03/718896803.db2.gz GLUSXLLMFBFYGA-OCCSQVGLSA-N 2 0 246.358 1.071 20 0 BDADRP Cc1cnc(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c(C[NH3+])c1 ZINC001164633412 719224802 /nfs/dbraw/zinc/22/48/02/719224802.db2.gz DLRKJXDEKNQHQC-NEPJUHHUSA-N 2 0 248.374 1.378 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2OC)C1 ZINC000692998895 957413547 /nfs/dbraw/zinc/41/35/47/957413547.db2.gz QCMFCTOMDORRBP-MCIONIFRSA-N 2 0 240.391 1.875 20 0 BDADRP COc1cc[nH+]c(N(C)CC2CC[NH+](C)CC2)c1 ZINC001165040962 721930800 /nfs/dbraw/zinc/93/08/00/721930800.db2.gz WLXRHEOPQVDBJR-UHFFFAOYSA-N 2 0 249.358 1.868 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000398722664 958369261 /nfs/dbraw/zinc/36/92/61/958369261.db2.gz QGHVFTWAINXZBQ-OFTGVCEQSA-N 2 0 208.349 1.620 20 0 BDADRP CC[C@@H]1CO[C@H](C)C[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000693581588 958870622 /nfs/dbraw/zinc/87/06/22/958870622.db2.gz XWLHVZNHNXEUIX-WISYIIOYSA-N 2 0 212.337 1.223 20 0 BDADRP C[C@@H]1CCC[N@H+](C[C@H]2CCCOC2)[C@@H]1CC[NH3+] ZINC000404412733 959249762 /nfs/dbraw/zinc/24/97/62/959249762.db2.gz DTONKUZPQQVSSN-MGPQQGTHSA-N 2 0 240.391 1.862 20 0 BDADRP [NH3+]C[C@@H]1CCCC[N@H+](C[C@H]2CCCCO2)C1 ZINC000309466266 959880925 /nfs/dbraw/zinc/88/09/25/959880925.db2.gz SVIJCPRKPLLYOO-QWHCGFSZSA-N 2 0 226.364 1.616 20 0 BDADRP C[C@@H]1COCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709488522 960622009 /nfs/dbraw/zinc/62/20/09/960622009.db2.gz QPPJKAXTMXFTHC-OCIKQUFWSA-N 2 0 224.348 1.284 20 0 BDADRP C[C@H](C[NH3+])CN[C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925701141 960687443 /nfs/dbraw/zinc/68/74/43/960687443.db2.gz ZUVVEIIMSUYBLW-WZRBSPASSA-N 2 0 221.348 1.259 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](CF)C2)CC[NH2+]1 ZINC000711468334 962718367 /nfs/dbraw/zinc/71/83/67/962718367.db2.gz WQPWNOWGMPMLDQ-UTUOFQBUSA-N 2 0 214.328 1.808 20 0 BDADRP C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167981712 963064360 /nfs/dbraw/zinc/06/43/60/963064360.db2.gz GJQZYUPBDOTIAW-FUNVUKJBSA-N 2 0 208.349 1.953 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1cc(C2CC2)ccn1 ZINC001159783988 964196301 /nfs/dbraw/zinc/19/63/01/964196301.db2.gz GGICONIINAUBQJ-LLVKDONJSA-N 2 0 220.320 1.395 20 0 BDADRP CCCC[C@@H](CO)[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168297900 964394571 /nfs/dbraw/zinc/39/45/71/964394571.db2.gz MYJYCSUHALUSHG-MOKVOYLWSA-N 2 0 242.407 2.000 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2CCC[C@H]2CO)CC1 ZINC001168315234 964427728 /nfs/dbraw/zinc/42/77/28/964427728.db2.gz SKRKYBXVXYIMAM-BPCQOVAHSA-N 2 0 226.364 1.316 20 0 BDADRP CC[C@@H]1COC[C@@H]1[NH2+]CC1CC[NH+](CC)CC1 ZINC000699547119 965966684 /nfs/dbraw/zinc/96/66/84/965966684.db2.gz ZAFGXPUTULYSPQ-KGLIPLIRSA-N 2 0 240.391 1.733 20 0 BDADRP Cc1c[nH+]c(N(C)C[C@@H]2CC[NH2+]C2)cc1N ZINC001166958059 966486400 /nfs/dbraw/zinc/48/64/00/966486400.db2.gz RLMNBLHHVBIIDB-SNVBAGLBSA-N 2 0 220.320 1.018 20 0 BDADRP C[NH+]1CCC(C[NH+]2CCC(C)(CO)CC2)CC1 ZINC000691359712 967399943 /nfs/dbraw/zinc/39/99/43/967399943.db2.gz MXEMWIDOBFKFME-UHFFFAOYSA-N 2 0 240.391 1.423 20 0 BDADRP C[C@@]1([NH3+])CCCN(C[C@@H]2CCCC[NH2+]2)CC1 ZINC001205257148 967443692 /nfs/dbraw/zinc/44/36/92/967443692.db2.gz SQUGFOAKIPEXMC-QWHCGFSZSA-N 2 0 225.380 1.332 20 0 BDADRP CC[C@H](N)C[N@@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205981758 967921583 /nfs/dbraw/zinc/92/15/83/967921583.db2.gz GSROHKQVZDAJFK-UTUOFQBUSA-N 2 0 213.369 1.031 20 0 BDADRP C[N@@H+]1CCC[C@H](OCC[NH+]2CCCCC2)CC1 ZINC001206701340 968438351 /nfs/dbraw/zinc/43/83/51/968438351.db2.gz WEVBOPTZPGFOFS-AWEZNQCLSA-N 2 0 240.391 1.973 20 0 BDADRP CCCC[C@H](O)C[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC001252113368 968600300 /nfs/dbraw/zinc/60/03/00/968600300.db2.gz YPWFWTUZZZVAHP-STQMWFEESA-N 2 0 228.380 1.611 20 0 BDADRP CCC(CC)[NH+]1CCC([NH2+]CC(C)(C)O)CC1 ZINC001252370033 968651548 /nfs/dbraw/zinc/65/15/48/968651548.db2.gz IITCWPSRESANIU-UHFFFAOYSA-N 2 0 242.407 2.000 20 0 BDADRP C[N@H+](CC1CC[NH+](C)CC1)C1CCOCC1 ZINC001207392041 968748265 /nfs/dbraw/zinc/74/82/65/968748265.db2.gz UYHQVKVDHYPLEY-UHFFFAOYSA-N 2 0 226.364 1.439 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCC[C@@H]2CF)CC1 ZINC001207401668 968753047 /nfs/dbraw/zinc/75/30/47/968753047.db2.gz HIQDMXUKOFICLJ-GFCCVEGCSA-N 2 0 214.328 1.762 20 0 BDADRP C[NH+]1CCC2(C[NH+](C[C@H]3CCCOC3)C2)CC1 ZINC001207471484 968786082 /nfs/dbraw/zinc/78/60/82/968786082.db2.gz NCEFSQPGNQXKQO-CYBMUJFWSA-N 2 0 238.375 1.441 20 0 BDADRP C[NH+]1CCC(CC[N@@H+]2CC[C@@](F)(CO)C2)CC1 ZINC001207480008 968796595 /nfs/dbraw/zinc/79/65/95/968796595.db2.gz SORNXGWAHDRRAD-ZDUSSCGKSA-N 2 0 244.354 1.125 20 0 BDADRP CC[N@H+](CC(C)(C)O)CC1(C)CC[NH+](C)CC1 ZINC001208108602 969004260 /nfs/dbraw/zinc/00/42/60/969004260.db2.gz FXOVFNRJKQDBHK-UHFFFAOYSA-N 2 0 242.407 1.811 20 0 BDADRP COC1C[NH+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208102574 969003337 /nfs/dbraw/zinc/00/33/37/969003337.db2.gz GGABDUHZLXVMEG-UHFFFAOYSA-N 2 0 212.337 1.049 20 0 BDADRP C[C@@H]1C[C@@H](O)CC[N@@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208113269 969007929 /nfs/dbraw/zinc/00/79/29/969007929.db2.gz FZDITONHESXWLT-OLZOCXBDSA-N 2 0 240.391 1.564 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2CCC[NH+](C)C2)CC[C@H]1O ZINC001208609154 969162118 /nfs/dbraw/zinc/16/21/18/969162118.db2.gz YPAQAQFEDLWGQK-MGPQQGTHSA-N 2 0 240.391 1.421 20 0 BDADRP CCOC(=O)[C@@H](C)C[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001254507483 969681014 /nfs/dbraw/zinc/68/10/14/969681014.db2.gz BZYUPYXCRIVGBS-NWDGAFQWSA-N 2 0 242.363 1.260 20 0 BDADRP CO[C@@H]1CCC[N@@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254515764 969688538 /nfs/dbraw/zinc/68/85/38/969688538.db2.gz CMVSBJUPGULHHZ-CHWSQXEVSA-N 2 0 226.364 1.582 20 0 BDADRP C[C@@H]1CCC[N@@H+]([C@H]2CCC[NH+](C)CC2)[C@@H]1CO ZINC001254517082 969702578 /nfs/dbraw/zinc/70/25/78/969702578.db2.gz RYUDNEYOYNCOIN-HZSPNIEDSA-N 2 0 240.391 1.564 20 0 BDADRP CN1CC[C@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)C1 ZINC001255412729 970129828 /nfs/dbraw/zinc/12/98/28/970129828.db2.gz UWOYQEBTQXKMEQ-STQMWFEESA-N 2 0 225.380 1.012 20 0 BDADRP C[NH+](C)CCC(C)(C)N[C@H]1CC[N@H+](C)C1 ZINC001255419217 970140446 /nfs/dbraw/zinc/14/04/46/970140446.db2.gz ZWROSTLBYZLBOF-NSHDSACASA-N 2 0 213.369 1.010 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N(C)C[C@@H](C)C[NH3+] ZINC001255950747 970566208 /nfs/dbraw/zinc/56/62/08/970566208.db2.gz KRESHEUEMIUUAD-QWHCGFSZSA-N 2 0 229.412 1.633 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H](CO)C(C)C ZINC001255941650 970570137 /nfs/dbraw/zinc/57/01/37/970570137.db2.gz WCKKKGWNIHGOLP-CHWSQXEVSA-N 2 0 230.396 1.713 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]C[C@H]1COCCO1 ZINC001255941987 970579108 /nfs/dbraw/zinc/57/91/08/970579108.db2.gz AOZBGKBBFXNIBG-OLZOCXBDSA-N 2 0 244.379 1.112 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]C[C@H](O)C1CC1 ZINC001255949992 970581283 /nfs/dbraw/zinc/58/12/83/970581283.db2.gz DOQAPAAOPPONEM-AAEUAGOBSA-N 2 0 228.380 1.467 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@](C)(O)C1 ZINC001255955559 970582077 /nfs/dbraw/zinc/58/20/77/970582077.db2.gz BSBVIUAGJMYAGG-STQMWFEESA-N 2 0 228.380 1.564 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]CC1(O)CCC1 ZINC001255947175 970583967 /nfs/dbraw/zinc/58/39/67/970583967.db2.gz OZKIIIIZJSOVRF-LBPRGKRZSA-N 2 0 228.380 1.611 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]CCc1cnoc1 ZINC001255954715 970587706 /nfs/dbraw/zinc/58/77/06/970587706.db2.gz YQGIHGWGRWSNMP-GFCCVEGCSA-N 2 0 239.363 1.927 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N[C@@H]1CC[N@H+](CC)C1 ZINC001255952635 970589084 /nfs/dbraw/zinc/58/90/84/970589084.db2.gz GDVIXGVZKPBCLI-UONOGXRCSA-N 2 0 241.423 1.791 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CC[C@](C)(CO)C1 ZINC001255956508 970594707 /nfs/dbraw/zinc/59/47/07/970594707.db2.gz KUSNERYUAWSEKL-KGLIPLIRSA-N 2 0 242.407 1.811 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[N@@H+]1[C@@H](C)CC[C@H]1CO ZINC001255956992 970597116 /nfs/dbraw/zinc/59/71/16/970597116.db2.gz NVHRUZJTNGUCAK-IHRRRGAJSA-N 2 0 242.407 1.952 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)CO1 ZINC000401940094 970748094 /nfs/dbraw/zinc/74/80/94/970748094.db2.gz OHHZNYJWYBPVAV-GHMZBOCLSA-N 2 0 200.326 1.095 20 0 BDADRP CC(C)CC[C@@H](C)[NH2+]CCC[N@H+](C)CCO ZINC001256360676 970760863 /nfs/dbraw/zinc/76/08/63/970760863.db2.gz KLPOGQFOQBRCCQ-CYBMUJFWSA-N 2 0 230.396 1.715 20 0 BDADRP [NH3+]C1CC([NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC001173043165 975014508 /nfs/dbraw/zinc/01/45/08/975014508.db2.gz WPFSALQOZOJIPT-UHFFFAOYSA-N 2 0 238.375 1.805 20 0 BDADRP CCC[C@H](O)CC[NH2+]C1CCC(C[NH3+])CC1 ZINC001332422630 975108089 /nfs/dbraw/zinc/10/80/89/975108089.db2.gz XVXUITDTPHFEDJ-BPCQOVAHSA-N 2 0 228.380 1.645 20 0 BDADRP CC[C@H]1CC[C@@H]([NH2+]CCC[N@H+](C)CCO)C1 ZINC001173275058 975157727 /nfs/dbraw/zinc/15/77/27/975157727.db2.gz LHACSQGTQWETAJ-QWHCGFSZSA-N 2 0 228.380 1.469 20 0 BDADRP CC[N@@H+]1CC[C@H](n2cccc2CC[NH3+])C1 ZINC001173357208 975316993 /nfs/dbraw/zinc/31/69/93/975316993.db2.gz IVDFTXIVBYYLDW-LBPRGKRZSA-N 2 0 207.321 1.256 20 0 BDADRP CCN(CC[NH+](CC)CC)[C@H]1CC[N@H+](CC)C1 ZINC001173365508 975346525 /nfs/dbraw/zinc/34/65/25/975346525.db2.gz JWLUWWNRGGCQJU-AWEZNQCLSA-N 2 0 241.423 1.744 20 0 BDADRP CC[N@@H+]1CCC[C@H](CNC(=[NH2+])NC2CCC2)C1 ZINC001333040149 975383125 /nfs/dbraw/zinc/38/31/25/975383125.db2.gz KDVMSSSERKTRTB-LLVKDONJSA-N 2 0 238.379 1.385 20 0 BDADRP C[C@@]1(C[NH3+])CCCN(C[C@@H]2CCCC[NH2+]2)CC1 ZINC001206296474 978302310 /nfs/dbraw/zinc/30/23/10/978302310.db2.gz SWJNGXGRXBYPMV-UONOGXRCSA-N 2 0 239.407 1.579 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](C)C2)CCO1 ZINC000069863058 978765024 /nfs/dbraw/zinc/76/50/24/978765024.db2.gz RGZUYSPEHSGQBW-WOPDTQHZSA-N 2 0 212.337 1.095 20 0 BDADRP CC(C)C[C@@H]([NH3+])CC(=O)NCC(C)(C)[NH+](C)C ZINC001340139518 978978103 /nfs/dbraw/zinc/97/81/03/978978103.db2.gz JZFPVLYLLNTEHK-LLVKDONJSA-N 2 0 243.395 1.206 20 0 BDADRP CC(C)(C)OC(=O)[C@H]1CC[N@H+](CCCC[NH3+])C1 ZINC001235713477 979129490 /nfs/dbraw/zinc/12/94/90/979129490.db2.gz FHXKMFMKAAXUSY-NSHDSACASA-N 2 0 242.363 1.389 20 0 BDADRP Cc1ccc(CN(CC[NH3+])CC[NH3+])c(C)c1 ZINC001235876868 979176946 /nfs/dbraw/zinc/17/69/46/979176946.db2.gz JYZQAYMZGCUAJD-UHFFFAOYSA-N 2 0 221.348 1.023 20 0 BDADRP [NH3+]CCCCCN(C1CC1)[C@H]1CCC[NH2+]C1 ZINC001236237391 979461382 /nfs/dbraw/zinc/46/13/82/979461382.db2.gz QONDMBPGHQQRPF-ZDUSSCGKSA-N 2 0 225.380 1.332 20 0 BDADRP CC(C)C[N@H+](CCCCO)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550279 979632787 /nfs/dbraw/zinc/63/27/87/979632787.db2.gz KMOZYTPGWJTYBJ-HDJSIYSDSA-N 2 0 242.407 1.987 20 0 BDADRP CC[C@H](N)C[N@H+](C)CC1CC[NH+](CC)CC1 ZINC001236858297 979767180 /nfs/dbraw/zinc/76/71/80/979767180.db2.gz AVVGOZWNSMKXRD-ZDUSSCGKSA-N 2 0 227.396 1.387 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCNC2=CCCC[C@@H]21 ZINC001237219759 979851491 /nfs/dbraw/zinc/85/14/91/979851491.db2.gz OCWYORKFBMRAEM-LBPRGKRZSA-N 2 0 209.337 1.067 20 0 BDADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)NCC[C@@H]([NH3+])C(C)C ZINC001344056991 980329512 /nfs/dbraw/zinc/32/95/12/980329512.db2.gz BERAAWPZTFVZOX-QJPTWQEYSA-N 2 0 243.395 1.240 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+](CCC(F)(F)F)CC2 ZINC001202353034 983635093 /nfs/dbraw/zinc/63/50/93/983635093.db2.gz YISBUWOHCBKLPM-UHFFFAOYSA-N 2 0 236.281 1.966 20 0 BDADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H](C)CC[NH+](C)C ZINC001575541562 984126209 /nfs/dbraw/zinc/12/62/09/984126209.db2.gz WJGAAJIBTVTQRD-NWDGAFQWSA-N 2 0 243.395 1.064 20 0 BDADRP CCOCC[C@H](C)[NH2+][C@H]1CCN(C(C)C)C1 ZINC001172412453 974678288 /nfs/dbraw/zinc/67/82/88/974678288.db2.gz XXZRVPKZRNRMBQ-STQMWFEESA-N 2 0 228.380 1.874 20 0 BDADRP CC(C)OCC[C@@H](C)[NH2+]CCSCC[NH3+] ZINC001172441726 974802857 /nfs/dbraw/zinc/80/28/57/974802857.db2.gz OWNADHYVIPEAFI-LLVKDONJSA-N 2 0 234.409 1.472 20 0 BDADRP CC(C)COCC[C@H](C)[N@H+](C)C[C@H](C)C[NH3+] ZINC001172463434 974827218 /nfs/dbraw/zinc/82/72/18/974827218.db2.gz OKHBQCGKHPTSNM-OLZOCXBDSA-N 2 0 230.396 1.964 20 0 BDADRP CC(C)COCC[C@H](C)[NH2+]C[C@H](C)C[NH3+] ZINC001172463387 974827378 /nfs/dbraw/zinc/82/73/78/974827378.db2.gz NQGZHEINWXIKAG-NEPJUHHUSA-N 2 0 216.369 1.622 20 0 BDADRP CC(C)COCC[C@@H](C)[N@H+](C)C[C@@H](C)C[NH3+] ZINC001172463435 974828593 /nfs/dbraw/zinc/82/85/93/974828593.db2.gz OKHBQCGKHPTSNM-QWHCGFSZSA-N 2 0 230.396 1.964 20 0 BDADRP [NH3+]CCCC[NH2+]Cc1ncccc1C(F)(F)F ZINC001327415609 972571186 /nfs/dbraw/zinc/57/11/86/972571186.db2.gz KICYJUPWINMTAU-UHFFFAOYSA-N 2 0 247.264 1.929 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@](C)(O)C2)CC[NH2+]1 ZINC001246548269 972681522 /nfs/dbraw/zinc/68/15/22/972681522.db2.gz JYPVBDCPYCPAND-FRRDWIJNSA-N 2 0 226.364 1.364 20 0 BDADRP C[C@@]1(C[NH3+])CCCN([C@@H]2CCCC[NH2+]C2)CC1 ZINC001246577812 972894652 /nfs/dbraw/zinc/89/46/52/972894652.db2.gz PXWSIAFVBRIZBN-ZIAGYGMSSA-N 2 0 239.407 1.579 20 0 BDADRP CC[C@@H]1C[C@@H](N2CC3(C[NH2+]C3)C2)C[C@H](CC)[NH2+]1 ZINC001246615273 973036675 /nfs/dbraw/zinc/03/66/75/973036675.db2.gz SACDYEMLLCHWOS-CLLJXQQHSA-N 2 0 237.391 1.201 20 0 BDADRP CC[C@@H]1C[C@@H](N2CC[NH2+]C[C@@H]2CC)CC[NH2+]1 ZINC001246805269 973099390 /nfs/dbraw/zinc/09/93/90/973099390.db2.gz RMTUOPIAHQTXKH-AGIUHOORSA-N 2 0 225.380 1.201 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC001329023702 973431636 /nfs/dbraw/zinc/43/16/36/973431636.db2.gz NEMMMTFLWXFVHA-LPWJVIDDSA-N 2 0 240.391 1.778 20 0 BDADRP CC(C)[NH2+][C@H](C)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001329110499 973488972 /nfs/dbraw/zinc/48/89/72/973488972.db2.gz PCHIJASEJOETFY-NEPJUHHUSA-N 2 0 243.395 1.219 20 0 BDADRP CC(C)(C)[NH+]1CCC(N2CC(C)([NH3+])C2)CC1 ZINC001256567160 970864045 /nfs/dbraw/zinc/86/40/45/970864045.db2.gz TUTVSYFXNMKZTE-UHFFFAOYSA-N 2 0 225.380 1.282 20 0 BDADRP C[C@H]1C[N@@H+](C2CC[NH+](C(C)(C)C)CC2)C[C@@H]1O ZINC001256569346 970866113 /nfs/dbraw/zinc/86/61/13/970866113.db2.gz BKVQFWSOQJGAHU-AAEUAGOBSA-N 2 0 240.391 1.562 20 0 BDADRP C1[C@H]2CC[C@@H]([NH2+][C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)C[C@@H]12 ZINC000403359934 970917796 /nfs/dbraw/zinc/91/77/96/970917796.db2.gz HIMGUIXIMFZBSA-XJKOARGCSA-N 2 0 232.371 1.761 20 0 BDADRP C([C@H]1CC[C@@H]2C[C@@H]2C1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000403442255 970945361 /nfs/dbraw/zinc/94/53/61/970945361.db2.gz CZTJHAFQANYKTE-ZSLBOAEBSA-N 2 0 220.360 1.716 20 0 BDADRP C[C@H](Cc1ccncc1)[NH2+]CCSCC[NH3+] ZINC001256726605 970948248 /nfs/dbraw/zinc/94/82/48/970948248.db2.gz ALSSWWYUWSVLDF-LLVKDONJSA-N 2 0 239.388 1.294 20 0 BDADRP C[C@H](Cc1ccncc1)[NH2+]C1(C[NH3+])CC1 ZINC001256731745 970956342 /nfs/dbraw/zinc/95/63/42/970956342.db2.gz OSIUFMGHBQOZQB-SNVBAGLBSA-N 2 0 205.305 1.094 20 0 BDADRP C[C@@H](Cc1ccncc1)[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC001256732131 970958429 /nfs/dbraw/zinc/95/84/29/970958429.db2.gz AYUXMKWMJZRHEW-WCFLWFBJSA-N 2 0 219.332 1.482 20 0 BDADRP [NH3+]CC1([NH2+][C@H]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC001256804077 970992811 /nfs/dbraw/zinc/99/28/11/970992811.db2.gz LOHWHJMNUPNCES-UONOGXRCSA-N 2 0 246.354 1.988 20 0 BDADRP CC1([NH2+]C2CCN(c3cc[nH+]cc3)CC2)COC1 ZINC001256848873 970996684 /nfs/dbraw/zinc/99/66/84/970996684.db2.gz YGPAAVZRXSZXSX-UHFFFAOYSA-N 2 0 247.342 1.429 20 0 BDADRP [NH3+][C@H]1CCN([C@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256898486 971011411 /nfs/dbraw/zinc/01/14/11/971011411.db2.gz MCZQVZNGPUCOCR-JSGCOSHPSA-N 2 0 237.391 1.426 20 0 BDADRP CNc1cc(Nc2cc[nH+]cc2)cc[nH+]1 ZINC001216331044 971039025 /nfs/dbraw/zinc/03/90/25/971039025.db2.gz JOISGYPTBIHEQN-UHFFFAOYSA-N 2 0 200.245 1.684 20 0 BDADRP C[C@@H]1CC([N@H+](C)C2CCN(C)CC2)C[C@@H](C)O1 ZINC001257088152 971096400 /nfs/dbraw/zinc/09/64/00/971096400.db2.gz WWAJEOFSQCFNME-VXGBXAGGSA-N 2 0 240.391 1.968 20 0 BDADRP C[C@@H]1C[C@@H]([N@H+](C)CCC[NH+](C)C)C[C@H](C)O1 ZINC001257088306 971101975 /nfs/dbraw/zinc/10/19/75/971101975.db2.gz YQFXPKPHNPZCIN-CLLJXQQHSA-N 2 0 228.380 1.826 20 0 BDADRP CC(C)[NH+]1CCC(n2ncc3c2CC[NH2+]C3)CC1 ZINC001257214944 971129106 /nfs/dbraw/zinc/12/91/06/971129106.db2.gz OUULMKBSNVSOON-UHFFFAOYSA-N 2 0 248.374 1.574 20 0 BDADRP CCC[C@H](CC)[NH2+]CCN(C)CC[NH3+] ZINC001257250613 971147975 /nfs/dbraw/zinc/14/79/75/971147975.db2.gz SBTZYQSXQKHBGG-NSHDSACASA-N 2 0 201.358 1.045 20 0 BDADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccns1 ZINC000404285478 971152510 /nfs/dbraw/zinc/15/25/10/971152510.db2.gz HOQWOPBIMMJLIO-FGWVZKOKSA-N 2 0 237.372 1.987 20 0 BDADRP Cc1cc[nH+]c(N[C@H](C)[C@H]2C[NH2+]CCO2)c1C ZINC001170563590 971192104 /nfs/dbraw/zinc/19/21/04/971192104.db2.gz MNSUYWVZXJEUTN-VXGBXAGGSA-N 2 0 235.331 1.487 20 0 BDADRP C[N@@H+]1CCC[C@H](CN[C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000405227127 971215378 /nfs/dbraw/zinc/21/53/78/971215378.db2.gz PAWKPZQQGNGIBX-FRRDWIJNSA-N 2 0 237.391 1.188 20 0 BDADRP C[C@H](O)C[C@H](C)C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405221528 971215917 /nfs/dbraw/zinc/21/59/17/971215917.db2.gz MULJQRRWGFOGCV-YFKTTZPYSA-N 2 0 226.364 1.253 20 0 BDADRP [NH3+][C@H]1C[C@@H](NC2CC[NH+](C3CC3)CC2)C12CCC2 ZINC000405245603 971223208 /nfs/dbraw/zinc/22/32/08/971223208.db2.gz ZRMKFIKIRBKFFJ-UONOGXRCSA-N 2 0 249.402 1.473 20 0 BDADRP CC(C)(CO)CC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405266292 971224712 /nfs/dbraw/zinc/22/47/12/971224712.db2.gz PPZMWKXMKVXLLE-MNOVXSKESA-N 2 0 226.364 1.255 20 0 BDADRP CC(C)(O)CC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405313191 971230947 /nfs/dbraw/zinc/23/09/47/971230947.db2.gz PZROGHCTWUJDKN-VHSXEESVSA-N 2 0 212.337 1.007 20 0 BDADRP CC(C)(O)C(C)(C)C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405317747 971233236 /nfs/dbraw/zinc/23/32/36/971233236.db2.gz PZEXFRRXGUCRDP-GHMZBOCLSA-N 2 0 240.391 1.643 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000405294283 971233377 /nfs/dbraw/zinc/23/33/77/971233377.db2.gz ZYLVHEBKLKVNJR-XQQFMLRXSA-N 2 0 237.391 1.330 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCSC2)C12CCC2 ZINC000405329052 971238508 /nfs/dbraw/zinc/23/85/08/971238508.db2.gz VVGDBELJSZAWST-BBBLOLIVSA-N 2 0 212.362 1.351 20 0 BDADRP CC1(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CCOCC1 ZINC000405367555 971240540 /nfs/dbraw/zinc/24/05/40/971240540.db2.gz XINLUHDZRWUDHI-NWDGAFQWSA-N 2 0 238.375 1.663 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405361569 971240644 /nfs/dbraw/zinc/24/06/44/971240644.db2.gz ULVUEDWPZHDPRA-MXWKQRLJSA-N 2 0 212.337 1.007 20 0 BDADRP CC(C)OCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405351468 971241327 /nfs/dbraw/zinc/24/13/27/971241327.db2.gz OKTGMWMTTPZUKO-GHMZBOCLSA-N 2 0 212.337 1.271 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405361567 971241830 /nfs/dbraw/zinc/24/18/30/971241830.db2.gz ULVUEDWPZHDPRA-AXFHLTTASA-N 2 0 212.337 1.007 20 0 BDADRP CCC[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)OC ZINC000405392340 971247333 /nfs/dbraw/zinc/24/73/33/971247333.db2.gz HBSKLVSDDGMTKC-UTUOFQBUSA-N 2 0 226.364 1.661 20 0 BDADRP COCCC(C)(C)C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405355306 971242942 /nfs/dbraw/zinc/24/29/42/971242942.db2.gz QNQQIOZBPJDINJ-VXGBXAGGSA-N 2 0 240.391 1.909 20 0 BDADRP CC(C)OCCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405375819 971243100 /nfs/dbraw/zinc/24/31/00/971243100.db2.gz BFNNMDWQBNRHED-NWDGAFQWSA-N 2 0 226.364 1.661 20 0 BDADRP CCOC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)C(C)C ZINC000405357092 971244461 /nfs/dbraw/zinc/24/44/61/971244461.db2.gz RRKPEUPFJWNKGY-YNEHKIRRSA-N 2 0 240.391 1.907 20 0 BDADRP [NH3+][C@@H]1C[C@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)C12CCC2 ZINC000405371978 971248532 /nfs/dbraw/zinc/24/85/32/971248532.db2.gz ZISCAPMFNHURIQ-YUTCNCBUSA-N 2 0 249.402 1.330 20 0 BDADRP [NH3+][C@@H]1C[C@@H](NC[C@H]2CC[N@@H+](C3CC3)C2)C12CCC2 ZINC000405371974 971250750 /nfs/dbraw/zinc/25/07/50/971250750.db2.gz ZISCAPMFNHURIQ-MRVWCRGKSA-N 2 0 249.402 1.330 20 0 BDADRP CC(C)C[C@H](O)C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405411544 971254965 /nfs/dbraw/zinc/25/49/65/971254965.db2.gz NGBCXAZPETVUEF-TUAOUCFPSA-N 2 0 226.364 1.253 20 0 BDADRP COCCCCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405441139 971256352 /nfs/dbraw/zinc/25/63/52/971256352.db2.gz VQNBRYHQHMYLSE-NEPJUHHUSA-N 2 0 226.364 1.663 20 0 BDADRP [NH3+][C@H]1CC[C@H]([N@H+](C2COC2)C2CCCC2)CC1 ZINC001257345782 971256626 /nfs/dbraw/zinc/25/66/26/971256626.db2.gz MSIKPARMQVPILW-AULYBMBSSA-N 2 0 238.375 1.900 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2ccc(O)cc2)C12CCC2 ZINC000405536161 971267555 /nfs/dbraw/zinc/26/75/55/971267555.db2.gz ZQHPBMDKYQXZFB-KGLIPLIRSA-N 2 0 246.354 1.794 20 0 BDADRP CCC1(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)COC1 ZINC000405515170 971265610 /nfs/dbraw/zinc/26/56/10/971265610.db2.gz ULGCELNJFNEOKY-MNOVXSKESA-N 2 0 224.348 1.273 20 0 BDADRP C[C@@H]1OC[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)[C@@H]1C ZINC000405534848 971270116 /nfs/dbraw/zinc/27/01/16/971270116.db2.gz AVJHEEIVDWFBNR-VOAKCMCISA-N 2 0 226.364 1.341 20 0 BDADRP CCC(C)(C)C1CCC([NH2+]C[C@@H](O)C[NH3+])CC1 ZINC001257403463 971298715 /nfs/dbraw/zinc/29/87/15/971298715.db2.gz YQHOOCZTHZZUMR-BPCQOVAHSA-N 2 0 242.407 1.891 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC001329756242 971326509 /nfs/dbraw/zinc/32/65/09/971326509.db2.gz ZDIRJBKHEKPOLE-MGPQQGTHSA-N 2 0 237.391 1.060 20 0 BDADRP CC[C@@H](C)N(CC[NH+](C)C)CC[NH+](C)C ZINC001257443861 971358990 /nfs/dbraw/zinc/35/89/90/971358990.db2.gz YQSANFBLJOGPPI-GFCCVEGCSA-N 2 0 215.385 1.210 20 0 BDADRP C(O[C@@H]1CCCC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC001217774699 971396378 /nfs/dbraw/zinc/39/63/78/971396378.db2.gz ZCPSXNBSJRFJHM-VXGBXAGGSA-N 2 0 212.337 1.145 20 0 BDADRP c1cc2c(cc1CO[C@@H]1CC[NH2+]C1)CC[NH2+]C2 ZINC001217787113 971404820 /nfs/dbraw/zinc/40/48/20/971404820.db2.gz DIAWCZBTWPISDO-CQSZACIVSA-N 2 0 232.327 1.211 20 0 BDADRP C[C@H](OC[C@H]1CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC001217779030 971399294 /nfs/dbraw/zinc/39/92/94/971399294.db2.gz QLCISSAAWBBFHF-RYUDHWBXSA-N 2 0 226.364 1.391 20 0 BDADRP [NH3+]CCCCCCCO[C@@H]1C[NH2+]C[C@@H]1F ZINC001217776399 971399316 /nfs/dbraw/zinc/39/93/16/971399316.db2.gz HRMKWCGAAZDUCX-WDEREUQCSA-N 2 0 218.316 1.222 20 0 BDADRP C[C@@H](OC[C@H]1COC(C)(C)[NH2+]1)C1CC[NH2+]CC1 ZINC001217777534 971399669 /nfs/dbraw/zinc/39/96/69/971399669.db2.gz LMSQZBUYLOEAQV-PWSUYJOCSA-N 2 0 242.363 1.116 20 0 BDADRP C[C@@H]1C[NH2+]CCC[C@@H]1OCCC1CC[NH2+]CC1 ZINC001217778802 971399930 /nfs/dbraw/zinc/39/99/30/971399930.db2.gz LRVATCDTRLIIQA-OCCSQVGLSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@@H](OC[C@H]1CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC001217779026 971401475 /nfs/dbraw/zinc/40/14/75/971401475.db2.gz QLCISSAAWBBFHF-NEPJUHHUSA-N 2 0 226.364 1.391 20 0 BDADRP C[C@@H]1C[C@H](OCCC[C@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001217790720 971411792 /nfs/dbraw/zinc/41/17/92/971411792.db2.gz XQGRPBJSEYQNOV-UPJWGTAASA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1OCCC1CC[NH2+]CC1 ZINC001217791126 971411921 /nfs/dbraw/zinc/41/19/21/971411921.db2.gz VCXYZIOEYDBQLD-TZMCWYRMSA-N 2 0 240.391 1.781 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](OC[C@@H]1CCC[NH2+]C1)C2 ZINC001217821249 971418878 /nfs/dbraw/zinc/41/88/78/971418878.db2.gz GOPQLDJDOUUETK-MQYQWHSLSA-N 2 0 238.375 1.628 20 0 BDADRP CC[NH+](CC)C[C@H](C)OC[C@H]1CCC[NH2+]C1 ZINC001217829744 971424375 /nfs/dbraw/zinc/42/43/75/971424375.db2.gz SDFOMTOFIAUUAS-STQMWFEESA-N 2 0 228.380 1.733 20 0 BDADRP C[N@@H+]1CCC[C@@H](OC[C@H]2CCC[NH2+]C2)CC1 ZINC001217832313 971425495 /nfs/dbraw/zinc/42/54/95/971425495.db2.gz NYUGRSFTLOCVEU-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP FCC[NH+]1CCC(OC[C@@H]2CCC[NH2+]C2)CC1 ZINC001217840536 971437268 /nfs/dbraw/zinc/43/72/68/971437268.db2.gz FJEZHXWRUUJKCD-GFCCVEGCSA-N 2 0 244.354 1.437 20 0 BDADRP C[NH+](C)CCC[N@H+](C)[C@H]1CCCSC1 ZINC001257668403 971471033 /nfs/dbraw/zinc/47/10/33/971471033.db2.gz QSDXATPASFIIKL-NSHDSACASA-N 2 0 216.394 1.766 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+]([C@H]3CCCSC3)C[C@@H]2C1 ZINC001257673995 971477998 /nfs/dbraw/zinc/47/79/98/971477998.db2.gz PYWXCLASQPTWMP-AGIUHOORSA-N 2 0 240.416 1.766 20 0 BDADRP C[NH+](C)CCC(=O)NCC[NH2+]CCC(C)(C)C ZINC001133297086 971490886 /nfs/dbraw/zinc/49/08/86/971490886.db2.gz FVOQTLLFDJZCMP-UHFFFAOYSA-N 2 0 243.395 1.080 20 0 BDADRP CC1(CO[C@H]2C[NH2+]CCC2(F)F)CC[NH2+]CC1 ZINC001217929129 971532743 /nfs/dbraw/zinc/53/27/43/971532743.db2.gz ZBYYNRNNAHNNGN-JTQLQIEISA-N 2 0 248.317 1.390 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1OCC1(C)CC[NH2+]CC1 ZINC001217939536 971539568 /nfs/dbraw/zinc/53/95/68/971539568.db2.gz QNRZYJNIYVIFEU-NEPJUHHUSA-N 2 0 226.364 1.391 20 0 BDADRP [NH3+]Cc1ccccc1O[C@@H]1C[NH2+]CCC[C@H]1F ZINC001217978944 971557111 /nfs/dbraw/zinc/55/71/11/971557111.db2.gz FTCWWCULVPJXOJ-DGCLKSJQSA-N 2 0 238.306 1.614 20 0 BDADRP [NH3+]Cc1cccc(O[C@@H]2C[NH2+]CCC[C@@H]2F)c1 ZINC001217982380 971557783 /nfs/dbraw/zinc/55/77/83/971557783.db2.gz SKPUNBIPCLSMRD-QWHCGFSZSA-N 2 0 238.306 1.614 20 0 BDADRP [NH3+]Cc1cccc(O[C@@H]2C[C@H]3C[C@@H]2C[NH2+]3)c1 ZINC001218112531 971596498 /nfs/dbraw/zinc/59/64/98/971596498.db2.gz SRVBEZDRYBIMTQ-NQBHXWOUSA-N 2 0 218.300 1.275 20 0 BDADRP [NH3+][C@@H]1C[C@H]1c1ccc(O[C@H]2CC[NH2+]C2)cc1 ZINC001218181870 971617477 /nfs/dbraw/zinc/61/74/77/971617477.db2.gz RBERGPSPHCTZMR-RWMBFGLXSA-N 2 0 218.300 1.242 20 0 BDADRP N[C@@H]1CC[N@H+](CC2CCSCC2)CC[C@@H]1F ZINC001206156806 974332402 /nfs/dbraw/zinc/33/24/02/974332402.db2.gz SZVRPGOXKPZJAV-NWDGAFQWSA-N 2 0 246.395 1.891 20 0 BDADRP C[C@H]([NH3+])c1ccc(O[C@H]2C[NH2+]CC[C@H]2F)cc1 ZINC001218321373 971710358 /nfs/dbraw/zinc/71/03/58/971710358.db2.gz HXZROHDBFXJGND-BIMULSAOSA-N 2 0 238.306 1.785 20 0 BDADRP C[NH+](C)Cc1ccnc(NCC2C[NH+](C)C2)c1 ZINC001159222472 971749678 /nfs/dbraw/zinc/74/96/78/971749678.db2.gz NWYPYIBNOUGODK-UHFFFAOYSA-N 2 0 234.347 1.117 20 0 BDADRP C[C@@H]1[NH2+]C[C@H]1Oc1cccc2c1C[NH2+]C2 ZINC001218384111 971759553 /nfs/dbraw/zinc/75/95/53/971759553.db2.gz CIFYLGQBTBBBJX-QPUJVOFHSA-N 2 0 204.273 1.029 20 0 BDADRP C[C@H]1[NH2+]C[C@H]1Oc1cccc2c1C[NH2+]C2 ZINC001218384110 971761235 /nfs/dbraw/zinc/76/12/35/971761235.db2.gz CIFYLGQBTBBBJX-PRHODGIISA-N 2 0 204.273 1.029 20 0 BDADRP C[C@H]1CC[C@H](Oc2ccc(CC[NH3+])cc2)C[NH2+]1 ZINC001218394374 971771875 /nfs/dbraw/zinc/77/18/75/971771875.db2.gz QWLSPQOYYLDMOD-FZMZJTMJSA-N 2 0 234.343 1.707 20 0 BDADRP [NH3+]CCc1ccc(O[C@H]2C[NH2+]CCC23CC3)cc1 ZINC001218398381 971776725 /nfs/dbraw/zinc/77/67/25/971776725.db2.gz DVDDBQVUGBMNKU-AWEZNQCLSA-N 2 0 246.354 1.709 20 0 BDADRP C[C@H]([NH3+])c1ccc(O[C@H]2[C@@H]3CC[C@H]2[NH2+]C3)cc1 ZINC001218449672 971822427 /nfs/dbraw/zinc/82/24/27/971822427.db2.gz RBNOQOHCWAEPMM-FRJFDASCSA-N 2 0 232.327 1.836 20 0 BDADRP [NH3+]Cc1cccc(O[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC001218451714 971822546 /nfs/dbraw/zinc/82/25/46/971822546.db2.gz GUVPYERPZFUIRL-LLVKDONJSA-N 2 0 242.269 1.521 20 0 BDADRP [NH3+]CC1(F)CCN(CC[C@@H]2CCCC[NH2+]2)CC1 ZINC001222526516 972540839 /nfs/dbraw/zinc/54/08/39/972540839.db2.gz CLTQUCVEBLIJPQ-LBPRGKRZSA-N 2 0 243.370 1.281 20 0 BDADRP [NH3+]CCCC[C@H]([NH3+])C(=O)Nc1ccsc1 ZINC001218535864 971855522 /nfs/dbraw/zinc/85/55/22/971855522.db2.gz MWDYQGVEXOKLIJ-VIFPVBQESA-N 2 0 227.333 1.143 20 0 BDADRP C[NH+](C)C1CCC([NH2+]C[C@H]2CCOC2)CC1 ZINC000309923033 971884370 /nfs/dbraw/zinc/88/43/70/971884370.db2.gz TYVMJHVXTIZKMT-PNESKVBLSA-N 2 0 226.364 1.485 20 0 BDADRP CCCCC[NH2+]CCNC(=O)C[NH+](CC)CC ZINC001135513774 971909083 /nfs/dbraw/zinc/90/90/83/971909083.db2.gz YJCLYRFZKOLNQI-UHFFFAOYSA-N 2 0 243.395 1.224 20 0 BDADRP CC[NH+](CC)CC(=O)NCC[NH2+]CCC(C)C ZINC001135513738 971909598 /nfs/dbraw/zinc/90/95/98/971909598.db2.gz WWHYMRRKGDBLSJ-UHFFFAOYSA-N 2 0 243.395 1.080 20 0 BDADRP C[NH+](C)CC1CC[NH+]([C@@H]2CCCOCC2)CC1 ZINC001170824028 971920313 /nfs/dbraw/zinc/92/03/13/971920313.db2.gz XQQPETAVHOYTRD-CQSZACIVSA-N 2 0 240.391 1.829 20 0 BDADRP CC[C@H](C)OCC[C@H](C)[NH2+]C1CC([NH3+])C1 ZINC001172346377 974615562 /nfs/dbraw/zinc/61/55/62/974615562.db2.gz ZLNPAKANVIFXSE-JYBOHDQNSA-N 2 0 214.353 1.659 20 0 BDADRP c1cc2c(cc1NC1=CC[NH2+]CC1)CC[NH2+]CC2 ZINC001159679199 972026537 /nfs/dbraw/zinc/02/65/37/972026537.db2.gz OREGBUYKGJLCEA-UHFFFAOYSA-N 2 0 243.354 1.664 20 0 BDADRP C[C@@H]([NH3+])CCNc1ccccc1CC[NH3+] ZINC001170890412 972041985 /nfs/dbraw/zinc/04/19/85/972041985.db2.gz KZLGYQWCORQRBT-SNVBAGLBSA-N 2 0 207.321 1.337 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ncc2sccc2n1 ZINC001170895398 972051393 /nfs/dbraw/zinc/05/13/93/972051393.db2.gz SNVPBGZXUMRURK-VIFPVBQESA-N 2 0 237.332 1.127 20 0 BDADRP Cc1ccc2ncc(N[C@H]([NH3+])CCC[NH3+])nc2c1 ZINC001170897754 972056785 /nfs/dbraw/zinc/05/67/85/972056785.db2.gz JUSVUFACDMSWMB-LBPRGKRZSA-N 2 0 245.330 1.374 20 0 BDADRP Cc1nc2c(c(N[C@H]([NH3+])CCC[NH3+])n1)CCCC2 ZINC001170898862 972057730 /nfs/dbraw/zinc/05/77/30/972057730.db2.gz QQHOVMFIOIKVDB-LBPRGKRZSA-N 2 0 249.362 1.099 20 0 BDADRP CCc1cccnc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170898834 972057843 /nfs/dbraw/zinc/05/78/43/972057843.db2.gz PXDRLPOEJFUASJ-SNVBAGLBSA-N 2 0 208.309 1.080 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1c(Cl)cncc1Cl ZINC001170899147 972058251 /nfs/dbraw/zinc/05/82/51/972058251.db2.gz HYOQJMLLESPUAS-QMMMGPOBSA-N 2 0 249.145 1.246 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1cccc2c1CC=C2 ZINC001170899712 972062204 /nfs/dbraw/zinc/06/22/04/972062204.db2.gz DTYQTZZEBDOUBP-CYBMUJFWSA-N 2 0 217.316 1.692 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc(C2CC2)cn1 ZINC001170899441 972059799 /nfs/dbraw/zinc/05/97/99/972059799.db2.gz CCEMTHXAAFQXIW-LLVKDONJSA-N 2 0 220.320 1.395 20 0 BDADRP CCc1cc(Cl)nnc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170899561 972062155 /nfs/dbraw/zinc/06/21/55/972062155.db2.gz WJZNGGADJYZCFY-SECBINFHSA-N 2 0 243.742 1.128 20 0 BDADRP Nc1cc[nH+]c2cc(N[C@@H]([NH3+])CCC[NH3+])ccc12 ZINC001170900394 972066318 /nfs/dbraw/zinc/06/63/18/972066318.db2.gz KWPRDPXSNPTZJM-CYBMUJFWSA-N 3 0 245.330 1.253 20 0 BDADRP COc1c(C)cccc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170900937 972068879 /nfs/dbraw/zinc/06/88/79/972068879.db2.gz ROASJQCWRXLJHW-LLVKDONJSA-N 2 0 223.320 1.439 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1cccc2ocnc21 ZINC001170900753 972069294 /nfs/dbraw/zinc/06/92/94/972069294.db2.gz PKVCHKREDJAMNI-SNVBAGLBSA-N 2 0 220.276 1.263 20 0 BDADRP C[C@@H]([NH3+])CCNc1cc(OC(F)F)cc[nH+]1 ZINC001170894506 972070031 /nfs/dbraw/zinc/07/00/31/972070031.db2.gz JCNOXCVPXWXOSH-SSDOTTSWSA-N 2 0 231.246 1.832 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc2nnccc2c1 ZINC001170901070 972070275 /nfs/dbraw/zinc/07/02/75/972070275.db2.gz VLEYCOJZJUBKOY-LBPRGKRZSA-N 2 0 231.303 1.065 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1cnc2[nH]cc(F)c2c1 ZINC001170900706 972070527 /nfs/dbraw/zinc/07/05/27/972070527.db2.gz OVFUXXGKQKSOHA-SNVBAGLBSA-N 2 0 237.282 1.138 20 0 BDADRP Cc1c2[nH]ccc2ccc1N[C@H]([NH3+])CCC[NH3+] ZINC001170902161 972074429 /nfs/dbraw/zinc/07/44/29/972074429.db2.gz BRAMAAWBBFEGNA-LBPRGKRZSA-N 2 0 232.331 1.912 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc2cnccc2n1 ZINC001170904344 972077157 /nfs/dbraw/zinc/07/71/57/972077157.db2.gz OKNQKECNWLJVST-NSHDSACASA-N 2 0 231.303 1.065 20 0 BDADRP C[NH+](C)/C=C/c1ccncc1N[C@H]([NH3+])CCC[NH3+] ZINC001170904266 972077476 /nfs/dbraw/zinc/07/74/76/972077476.db2.gz MSDYJQIPKKCZRI-PPGNKHEKSA-N 3 0 249.362 1.050 20 0 BDADRP C[NH+](C)/C=C/c1ccncc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170904267 972079023 /nfs/dbraw/zinc/07/90/23/972079023.db2.gz MSDYJQIPKKCZRI-YSKGHYERSA-N 3 0 249.362 1.050 20 0 BDADRP CCOCc1cncc(N[C@H]([NH3+])CCC[NH3+])c1 ZINC001170905848 972083830 /nfs/dbraw/zinc/08/38/30/972083830.db2.gz WRGSRIMCOCBGDR-LBPRGKRZSA-N 2 0 238.335 1.054 20 0 BDADRP C[C@@H](O)[C@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000390428592 972087896 /nfs/dbraw/zinc/08/78/96/972087896.db2.gz NUQHTLUMMCQXDW-WDEREUQCSA-N 2 0 226.364 1.220 20 0 BDADRP Cc1nc(Cl)cc(N[C@H]([NH3+])CCC[NH3+])c1C ZINC001159784026 972110934 /nfs/dbraw/zinc/11/09/34/972110934.db2.gz GLLHNDVVGBSJQC-NSHDSACASA-N 2 0 242.754 1.787 20 0 BDADRP CCC[C@H](O)C[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246031538 972122089 /nfs/dbraw/zinc/12/20/89/972122089.db2.gz QWSZTPBRLQGQTR-STQMWFEESA-N 2 0 226.364 1.365 20 0 BDADRP CC[C@@H]1CC(NC2CC[NH2+]CC2)C[C@@H](CC)[NH2+]1 ZINC001246081889 972136843 /nfs/dbraw/zinc/13/68/43/972136843.db2.gz URFWNFOCTHRBMO-VXGBXAGGSA-N 2 0 239.407 1.637 20 0 BDADRP [NH3+]C1(CN[C@H]2CC3CC[NH+](CC3)C2)CCCC1 ZINC001246086023 972138609 /nfs/dbraw/zinc/13/86/09/972138609.db2.gz VCHACHLXJPFANF-ZDUSSCGKSA-N 2 0 237.391 1.332 20 0 BDADRP CC(C)[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246090329 972142104 /nfs/dbraw/zinc/14/21/04/972142104.db2.gz WHSSQZNXHROGPA-SYQHCUMBSA-N 2 0 239.407 1.623 20 0 BDADRP C[C@@H]1CC[C@@H](CNC2C[C@@H]3C=C[C@H](C2)[NH2+]3)C[NH2+]1 ZINC001246097530 972149064 /nfs/dbraw/zinc/14/90/64/972149064.db2.gz ORNCNGANRGCPNX-LSGALXMHSA-N 2 0 235.375 1.023 20 0 BDADRP C[C@H]1C[NH2+]C[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001246095662 972149168 /nfs/dbraw/zinc/14/91/68/972149168.db2.gz BUXBTUXSBHKJKR-DUJLVANISA-N 2 0 238.375 1.532 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](C[NH2+]C2Cc3ccccc3C2)C1 ZINC001246098891 972154325 /nfs/dbraw/zinc/15/43/25/972154325.db2.gz KFZPSMVJMYMXMP-QWHCGFSZSA-N 2 0 244.382 1.989 20 0 BDADRP CN(CCC[NH+](C)C)C(=O)[C@H]([NH3+])c1ccccc1 ZINC000111137646 972156920 /nfs/dbraw/zinc/15/69/20/972156920.db2.gz VXHXPROMPXEQNC-CYBMUJFWSA-N 2 0 249.358 1.097 20 0 BDADRP C[C@H](Cc1ccncc1)[NH2+]C[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246102951 972163102 /nfs/dbraw/zinc/16/31/02/972163102.db2.gz XRJODUSVISLJRZ-NFAWXSAZSA-N 2 0 247.386 1.990 20 0 BDADRP C[C@@H]1CC[C@@H](CN[C@@H]2CC[NH2+][C@@H](C)C2)[NH2+]C1 ZINC001246104439 972166129 /nfs/dbraw/zinc/16/61/29/972166129.db2.gz JQZAPIFUZRCCMN-XQHKEYJVSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[NH2+]CC[C@H]2C)CC[NH2+]1 ZINC001246104845 972166547 /nfs/dbraw/zinc/16/65/47/972166547.db2.gz BZFSFQOOFQQCER-SYQHCUMBSA-N 3 0 239.407 1.352 20 0 BDADRP C[C@@H]1CC[C@H](CN[C@@H]2CC[NH2+]C(C)(C)C2)[NH2+]C1 ZINC001246104996 972166694 /nfs/dbraw/zinc/16/66/94/972166694.db2.gz LFIIUKYYTYFBSZ-JHJVBQTASA-N 2 0 239.407 1.495 20 0 BDADRP CC[C@@H]1C[C@@H](N[C@@H]2C[NH2+]C[C@@H]2C)C[C@H](CC)[NH2+]1 ZINC001246117218 972179226 /nfs/dbraw/zinc/17/92/26/972179226.db2.gz PVCYMQAPFNNPQQ-PDWCTOEPSA-N 2 0 239.407 1.493 20 0 BDADRP C[C@H]1C[C@@H](NCc2ccc3c(c2)CC[NH2+]C3)C[NH2+]1 ZINC001246107952 972173697 /nfs/dbraw/zinc/17/36/97/972173697.db2.gz JEOHSAVEQWANTM-XHDPSFHLSA-N 2 0 245.370 1.172 20 0 BDADRP C[C@@H]1C[C@@H](NC[C@H]2CCC[NH2+][C@H]2C)CC[NH2+]1 ZINC001246114476 972180413 /nfs/dbraw/zinc/18/04/13/972180413.db2.gz WQOOWWMCIZZXSF-XQHKEYJVSA-N 2 0 225.380 1.105 20 0 BDADRP COCC[N@H+](C)CCC[NH2+]CCC(C)C ZINC000192950217 972187787 /nfs/dbraw/zinc/18/77/87/972187787.db2.gz YBHKFKPOUSODCK-UHFFFAOYSA-N 2 0 216.369 1.590 20 0 BDADRP CCCC[N@H+](CC)CCN[C@H]1CCC[NH2+]C1 ZINC001246160196 972200597 /nfs/dbraw/zinc/20/05/97/972200597.db2.gz CROWOYLRGICRSX-ZDUSSCGKSA-N 2 0 227.396 1.450 20 0 BDADRP CC(C)N(CCC[NH3+])[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246170135 972201673 /nfs/dbraw/zinc/20/16/73/972201673.db2.gz HMZYMOAKQQUMHT-NWDGAFQWSA-N 2 0 213.369 1.186 20 0 BDADRP CCCC[C@H]1C[C@@H](NC[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC001246187218 972213410 /nfs/dbraw/zinc/21/34/10/972213410.db2.gz MQMKGKSHLDHIQY-MELADBBJSA-N 2 0 239.407 1.639 20 0 BDADRP CC[C@@H]1C[C@H](NC[C@@H]2CC[NH2+]2)C[C@H](CC)[NH2+]1 ZINC001246192599 972214900 /nfs/dbraw/zinc/21/49/00/972214900.db2.gz IJIUAOXSBYWBPI-QNWHQSFQSA-N 2 0 225.380 1.247 20 0 BDADRP CC(C)OCC[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001246198456 972215631 /nfs/dbraw/zinc/21/56/31/972215631.db2.gz PIIRAEHRVQQPQH-CHWSQXEVSA-N 2 0 228.380 1.779 20 0 BDADRP C[C@H]1CC(NC[C@H]2CCC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC001246216992 972219044 /nfs/dbraw/zinc/21/90/44/972219044.db2.gz UNADWJIHOKRRKP-SRVKXCTJSA-N 2 0 225.380 1.105 20 0 BDADRP Cc1cc(NC(=[NH2+])SCC[NH3+])ccc1N ZINC001167912478 956879107 /nfs/dbraw/zinc/87/91/07/956879107.db2.gz OPALJBFQABOOPF-UHFFFAOYSA-N 2 0 224.333 1.616 20 0 BDADRP CC1(C)C[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)CO1 ZINC000396511153 956896778 /nfs/dbraw/zinc/89/67/78/956896778.db2.gz XMPJXJIZPQHECS-QWRGUYRKSA-N 2 0 212.337 1.143 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)NCC1([NH3+])CCCC1 ZINC001220497433 972231758 /nfs/dbraw/zinc/23/17/58/972231758.db2.gz XFBCKXNQXICKMS-NSHDSACASA-N 2 0 241.379 1.138 20 0 BDADRP C[NH+](C)[C@@H]1CCCN(C[C@H]2CCC[N@H+](C)C2)C1 ZINC001208610183 957090276 /nfs/dbraw/zinc/09/02/76/957090276.db2.gz ZNSIPDBZRLWVFJ-UONOGXRCSA-N 2 0 239.407 1.354 20 0 BDADRP CO[C@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246235247 972240917 /nfs/dbraw/zinc/24/09/17/972240917.db2.gz GHLXCWWKQWSZAE-RVMXOQNASA-N 2 0 226.364 1.674 20 0 BDADRP CCC1([NH2+][C@H]2CCC[C@@]3(CC[NH2+]C3)C2)CNC1 ZINC001246238918 972244755 /nfs/dbraw/zinc/24/47/55/972244755.db2.gz WYOWPOVWYAZJJJ-QWHCGFSZSA-N 2 0 237.391 1.250 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cccc3c2OCC3)C1 ZINC000692963578 957104189 /nfs/dbraw/zinc/10/41/89/957104189.db2.gz DXZCGIIPCNHJJG-KBPBESRZSA-N 2 0 246.354 1.981 20 0 BDADRP CCC[NH2+]CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246269924 972251541 /nfs/dbraw/zinc/25/15/41/972251541.db2.gz NTUYMROREMJCDA-CLLJXQQHSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@@H](C(=O)Nc1ccc(C(C)(C)[NH3+])cc1)[C@H](C)[NH3+] ZINC001345610969 957285472 /nfs/dbraw/zinc/28/54/72/957285472.db2.gz GKIBZYXRRSANGE-ZJUUUORDSA-N 2 0 249.358 1.802 20 0 BDADRP COc1ccc2c(c1)C[C@H]([NH2+]CC[C@H](C)[NH3+])C2 ZINC001246303245 972265052 /nfs/dbraw/zinc/26/50/52/972265052.db2.gz FEQVKHXSZKTHQV-GXFFZTMASA-N 2 0 234.343 1.489 20 0 BDADRP COC(=O)[C@@H]1CCC[C@H]([NH2+]CC[C@H](C)[NH3+])CC1 ZINC001246301764 972265345 /nfs/dbraw/zinc/26/53/45/972265345.db2.gz VNIXTYIRXVAPSY-TUAOUCFPSA-N 2 0 242.363 1.435 20 0 BDADRP C[C@H]1C[N@H+](CCCC[NH3+])CCC[C@@]1(C)O ZINC001209846631 957542337 /nfs/dbraw/zinc/54/23/37/957542337.db2.gz VGBJDVPCTZDYEJ-NWDGAFQWSA-N 2 0 214.353 1.208 20 0 BDADRP [NH3+]Cc1cccc2ncn([C@H]3CCC[NH2+]C3)c21 ZINC001246319647 972279280 /nfs/dbraw/zinc/27/92/80/972279280.db2.gz FUWYRNCIOCYECW-NSHDSACASA-N 2 0 230.315 1.420 20 0 BDADRP CC[NH+]1CCC(N[C@H]2CCC[N@H+](C)CC2)CC1 ZINC000086818840 957696323 /nfs/dbraw/zinc/69/63/23/957696323.db2.gz GHTMNBFHXWJNLD-ZDUSSCGKSA-N 2 0 239.407 1.545 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246318527 972286455 /nfs/dbraw/zinc/28/64/55/972286455.db2.gz RQMYYKRXVIOKRH-GFCCVEGCSA-N 3 0 239.407 1.626 20 0 BDADRP C[C@@H]1CC(N[C@@H]2C[NH2+]CCC2(C)C)C[C@@H](C)[NH2+]1 ZINC001246324394 972287430 /nfs/dbraw/zinc/28/74/30/972287430.db2.gz DZJMOBGSOIBBEY-NQBHXWOUSA-N 2 0 239.407 1.493 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@@]23CC[C@@]([NH3+])(C2)CCC3)CCO1 ZINC001246338937 972297713 /nfs/dbraw/zinc/29/77/13/972297713.db2.gz HIQWZBVVZUITSN-RQJABVFESA-N 2 0 238.375 1.948 20 0 BDADRP CCC[C@@H](CCO)[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246358439 972303197 /nfs/dbraw/zinc/30/31/97/972303197.db2.gz FFSMSIJLNXZKOP-SDDRHHMPSA-N 2 0 214.353 1.268 20 0 BDADRP Fc1cccc2c1C[C@H]([NH2+][C@H]1CC13C[NH2+]C3)CC2 ZINC001246448669 972319053 /nfs/dbraw/zinc/31/90/53/972319053.db2.gz ZRWGXJOXQBYDII-RISCZKNCSA-N 2 0 246.329 1.635 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2C3)CC[NH2+]1 ZINC001246454035 972323868 /nfs/dbraw/zinc/32/38/68/972323868.db2.gz BXLPBDGIAYMQSM-UJPOAAIJSA-N 2 0 208.349 1.905 20 0 BDADRP C[N@H+](CCC[NH3+])C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000693352803 958251785 /nfs/dbraw/zinc/25/17/85/958251785.db2.gz ZQPHXBPICPELNX-ILWJIGKKSA-N 2 0 218.291 1.558 20 0 BDADRP CCc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)o1 ZINC000708874130 958292903 /nfs/dbraw/zinc/29/29/03/958292903.db2.gz DJRWHLUGFWAPIG-WDEREUQCSA-N 2 0 222.332 1.869 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@]23CCCOC3)CC[NH2+]1 ZINC001246465289 972341624 /nfs/dbraw/zinc/34/16/24/972341624.db2.gz MEEGETHMIJQWQW-NDBYEHHHSA-N 2 0 224.348 1.286 20 0 BDADRP C[C@@H]1CC[C@H](N[C@H]2COC(C)(C)C2)C[NH2+]1 ZINC000399112543 958518030 /nfs/dbraw/zinc/51/80/30/958518030.db2.gz ZMPWAWILOIIOJC-OUAUKWLOSA-N 2 0 212.337 1.284 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H]2C(C)(C)O)CC[NH2+]1 ZINC000707564113 958587862 /nfs/dbraw/zinc/58/78/62/958587862.db2.gz KIWREYDVEYAZHL-IJLUTSLNSA-N 2 0 226.364 1.362 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C2(C3CC[NH2+]CC3)CC2)CC[NH2+]1 ZINC001246503892 972361182 /nfs/dbraw/zinc/36/11/82/972361182.db2.gz MRRDMKAQJPYEOZ-AAEUAGOBSA-N 3 0 237.391 1.249 20 0 BDADRP CC(C)C[NH2+][C@@H](C)CNC(=O)CCC[NH+](C)C ZINC001266967696 958678963 /nfs/dbraw/zinc/67/89/63/958678963.db2.gz OKIALOLMSMOFID-LBPRGKRZSA-N 2 0 243.395 1.079 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCc3ccccc3CC2)C1 ZINC000693544833 958753950 /nfs/dbraw/zinc/75/39/50/958753950.db2.gz GQPNLWBSBIMPQU-JNSHFYNHSA-N 2 0 230.355 1.825 20 0 BDADRP C[C@H]1C[N@H+](CC(C)(C)C[NH+](C)C)CC[C@@]1(C)O ZINC001207276451 958850220 /nfs/dbraw/zinc/85/02/20/958850220.db2.gz WWSPKQUPOVIIOX-GXTWGEPZSA-N 2 0 242.407 1.667 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)C1 ZINC000693567011 958860744 /nfs/dbraw/zinc/86/07/44/958860744.db2.gz FNYUPWZZQAPPEN-RVMXOQNASA-N 2 0 208.349 1.988 20 0 BDADRP Cc1csc(C[N@@H+]2CC[C@H](CC[NH3+])C2)n1 ZINC000690740263 958878025 /nfs/dbraw/zinc/87/80/25/958878025.db2.gz TWILOJUDGCKZHW-JTQLQIEISA-N 2 0 225.361 1.622 20 0 BDADRP CO[C@@H](C)C1CN(CC(C)(C)C[NH+](C)C)C1 ZINC001207289143 958888238 /nfs/dbraw/zinc/88/82/38/958888238.db2.gz ZWPJBVYWNXZWCX-NSHDSACASA-N 2 0 228.380 1.541 20 0 BDADRP CO[C@@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000693585280 958889026 /nfs/dbraw/zinc/88/90/26/958889026.db2.gz LEYVNWCMDSOSHV-NNYUYHANSA-N 2 0 212.337 1.223 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCc3ccccc3C2)C1 ZINC000693591675 958902775 /nfs/dbraw/zinc/90/27/75/958902775.db2.gz IOWSDXGGTCKPST-VDISTLRHSA-N 2 0 216.328 1.782 20 0 BDADRP Cc1csc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)n1 ZINC000693591743 958904686 /nfs/dbraw/zinc/90/46/86/958904686.db2.gz LUHUNAVQFYCVCC-BBBLOLIVSA-N 2 0 225.361 1.839 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC001327059683 972385976 /nfs/dbraw/zinc/38/59/76/972385976.db2.gz NHHWBZLKCONLEI-GRYCIOLGSA-N 2 0 241.379 1.138 20 0 BDADRP C[N@H+](C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)C1CC[NH2+]CC1 ZINC000693604639 958973865 /nfs/dbraw/zinc/97/38/65/958973865.db2.gz PYSRVKDIVABRTC-YHPBZONMSA-N 2 0 244.329 1.962 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)[C@@H](CC)CO1 ZINC000404107024 959057587 /nfs/dbraw/zinc/05/75/87/959057587.db2.gz UOGSKHMQIPQOQP-ZOBORPQBSA-N 2 0 240.391 1.731 20 0 BDADRP C(CN1CC[C@@]12CCC[NH2+]C2)C1CC[NH2+]CC1 ZINC001222190489 972399537 /nfs/dbraw/zinc/39/95/37/972399537.db2.gz CHXIWPULZQXDOS-CQSZACIVSA-N 2 0 237.391 1.204 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](CC=C(Cl)Cl)C1 ZINC000690754304 959225731 /nfs/dbraw/zinc/22/57/31/959225731.db2.gz IUNFBCKPCNDEGI-MRVPVSSYSA-N 2 0 223.147 1.976 20 0 BDADRP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)C(C)(C)CO ZINC000926473603 959273843 /nfs/dbraw/zinc/27/38/43/959273843.db2.gz MBSNQVGTFFPSKX-WDEREUQCSA-N 2 0 216.369 1.181 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405230095 959423907 /nfs/dbraw/zinc/42/39/07/959423907.db2.gz QJDOUXXUIYHLMJ-TUAOUCFPSA-N 2 0 226.364 1.397 20 0 BDADRP [NH3+]CCCCC[N@@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222265492 972432746 /nfs/dbraw/zinc/43/27/46/972432746.db2.gz UQPGYWWHRZXRJU-CQSZACIVSA-N 3 0 239.407 1.581 20 0 BDADRP c1nc2c(s1)C[C@@H](N1CCC[NH2+]CC1)CC2 ZINC001246531017 972439205 /nfs/dbraw/zinc/43/92/05/972439205.db2.gz ZTVJTRNLHGJYDX-JTQLQIEISA-N 2 0 237.372 1.296 20 0 BDADRP [NH3+][C@H]1CC[C@H](CO[C@@H]2CCC[NH2+]C2)CC1 ZINC001217860846 959677677 /nfs/dbraw/zinc/67/76/77/959677677.db2.gz PTDRIHQZMVZJTR-IJLUTSLNSA-N 2 0 212.337 1.273 20 0 BDADRP [NH3+]Cc1ccc(CO[C@H]2C[NH2+]CCC23CC3)cc1 ZINC001217910230 959742282 /nfs/dbraw/zinc/74/22/82/959742282.db2.gz ICZVYKVTPPEBGN-AWEZNQCLSA-N 2 0 246.354 1.804 20 0 BDADRP C[C@@H]1CC[C@H](OC[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001217914348 959749918 /nfs/dbraw/zinc/74/99/18/959749918.db2.gz YVOGAXODRBGOGZ-LPWJVIDDSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1Oc1cccc(C[NH3+])c1 ZINC001218031858 959839081 /nfs/dbraw/zinc/83/90/81/959839081.db2.gz UEMMBXSUUYTEQK-SMDDNHRTSA-N 2 0 234.343 1.912 20 0 BDADRP C1=CC[C@@H]2C[N@@H+](CC34CC(C3)C[NH2+]4)C[C@@H]2C1 ZINC000694533239 959907624 /nfs/dbraw/zinc/90/76/24/959907624.db2.gz LJQHHIQVCWYFCC-AKJUYKBHSA-N 2 0 218.344 1.636 20 0 BDADRP COC[C@@H](C[N@H+](C)C1(C[NH3+])CCCCC1)OC ZINC000694659122 959952657 /nfs/dbraw/zinc/95/26/57/959952657.db2.gz GEUROTIRCLZNDC-GFCCVEGCSA-N 2 0 244.379 1.241 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)C[C@H](C)O1 ZINC000694759499 959982798 /nfs/dbraw/zinc/98/27/98/959982798.db2.gz ARIBYKWAEDMJFR-FPYNETTCSA-N 2 0 238.375 1.802 20 0 BDADRP Cc1cnc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)nc1 ZINC000692495221 960033211 /nfs/dbraw/zinc/03/32/11/960033211.db2.gz WWDYLDBNQOCSHZ-GFCCVEGCSA-N 2 0 234.347 1.346 20 0 BDADRP C[C@H]1CN(C2CC[NH+](C3CC3)CC2)C[C@H]1C[NH3+] ZINC000708886990 960076640 /nfs/dbraw/zinc/07/66/40/960076640.db2.gz ATOBSJIEKUWZDQ-NWDGAFQWSA-N 2 0 237.391 1.140 20 0 BDADRP CC[C@@]12C[C@@H](CO1)[N@H+](CC1CC[NH2+]CC1)C2 ZINC001207439301 960096899 /nfs/dbraw/zinc/09/68/99/960096899.db2.gz NACGHKDXWVPGLI-STQMWFEESA-N 2 0 224.348 1.239 20 0 BDADRP O=c1[nH]ccc2c1CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001207441072 960115516 /nfs/dbraw/zinc/11/55/16/960115516.db2.gz PYEWCQZTFNLGFI-UHFFFAOYSA-N 2 0 247.342 1.145 20 0 BDADRP Cc1cncc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c1 ZINC000310181551 960173633 /nfs/dbraw/zinc/17/36/33/960173633.db2.gz XHSSSTZLXTVGJO-CYBMUJFWSA-N 2 0 233.359 1.951 20 0 BDADRP C(C[NH2+]C1CCCCC1)CN1CC2(C[NH2+]C2)C1 ZINC001222461192 972493330 /nfs/dbraw/zinc/49/33/30/972493330.db2.gz OBKHPHQXGRMWJK-UHFFFAOYSA-N 2 0 237.391 1.204 20 0 BDADRP [NH3+]CCc1ccn(-c2c[nH+]cc3cc[nH]c32)n1 ZINC001167730200 960264399 /nfs/dbraw/zinc/26/43/99/960264399.db2.gz FBKBPSNCZQIINZ-UHFFFAOYSA-N 2 0 227.271 1.250 20 0 BDADRP COCC[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925548134 960320454 /nfs/dbraw/zinc/32/04/54/960320454.db2.gz AAIZNGWLBAPLGI-QJPTWQEYSA-N 2 0 228.380 1.907 20 0 BDADRP COC1(C)C[NH+](CCC2CC[NH+](C)CC2)C1 ZINC001207479801 960356327 /nfs/dbraw/zinc/35/63/27/960356327.db2.gz OEVYFMQEOSOKPU-UHFFFAOYSA-N 2 0 226.364 1.439 20 0 BDADRP C[N@H+](CCC1CC[NH+](C)CC1)C1CCOCC1 ZINC001207479749 960356642 /nfs/dbraw/zinc/35/66/42/960356642.db2.gz MTSUHUVSJPZQDJ-UHFFFAOYSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@@H]1C[C@H](NCC[NH+]2CCCCC2)CC[NH2+]1 ZINC000709376052 960537251 /nfs/dbraw/zinc/53/72/51/960537251.db2.gz PLXJOLCHFCRFPS-CHWSQXEVSA-N 2 0 225.380 1.202 20 0 BDADRP C[C@@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCOC1 ZINC000709394152 960556176 /nfs/dbraw/zinc/55/61/76/960556176.db2.gz YIXJBCOIQNGEFL-HNGCFSAESA-N 2 0 224.348 1.286 20 0 BDADRP CSCC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C)C1 ZINC000709482743 960622858 /nfs/dbraw/zinc/62/28/58/960622858.db2.gz MIEGQKFOQJBKHW-QWRGUYRKSA-N 2 0 216.394 1.669 20 0 BDADRP C[N@@H+]1CCC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000709496062 960626835 /nfs/dbraw/zinc/62/68/35/960626835.db2.gz WZGARKBSEVNMSJ-ICIURTGMSA-N 2 0 237.391 1.201 20 0 BDADRP Cc1cc(CN2C[C@@H](C)[C@H]([NH3+])C2)cc(C)c1O ZINC000300049531 960878711 /nfs/dbraw/zinc/87/87/11/960878711.db2.gz SMBPKKWDNAYEID-DGCLKSJQSA-N 2 0 234.343 1.788 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2SCCS2)CC[N@@H+]1C ZINC000692903988 961210472 /nfs/dbraw/zinc/21/04/72/961210472.db2.gz HKTWVIVLDSJLIG-NXEZZACHSA-N 2 0 246.445 1.865 20 0 BDADRP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)CCCCC[NH3+] ZINC000841851623 961446689 /nfs/dbraw/zinc/44/66/89/961446689.db2.gz QXCGHBUAQQDODQ-NTZNESFSSA-N 2 0 241.379 1.008 20 0 BDADRP [NH2+]=C(NCCCC[NH3+])Nc1ccc(C2CC2)cn1 ZINC001167881867 961464162 /nfs/dbraw/zinc/46/41/62/961464162.db2.gz KRDWNJPKVHJXFX-UHFFFAOYSA-N 2 0 247.346 1.634 20 0 BDADRP [NH3+]CCCCN1CC[NH+]([C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167923230 961979091 /nfs/dbraw/zinc/97/90/91/961979091.db2.gz BBMUECGNPOEFTA-WDNDVIMCSA-N 2 0 237.391 1.141 20 0 BDADRP CCCC[NH2+]CCC[N@H+](C)CCOC ZINC000389292936 962186590 /nfs/dbraw/zinc/18/65/90/962186590.db2.gz DHOXHAJWJHAXGU-UHFFFAOYSA-N 2 0 202.342 1.344 20 0 BDADRP [NH3+]C[C@H]1CCCC[N@H+](Cc2ccc3n2CCC3)C1 ZINC001206648686 962608874 /nfs/dbraw/zinc/60/88/74/962608874.db2.gz OKKICQKJFXAQKT-CYBMUJFWSA-N 2 0 247.386 1.995 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCOC[C@@H]1c1ccccc1 ZINC001206648713 962612383 /nfs/dbraw/zinc/61/23/83/962612383.db2.gz ONJYZZLWUNTMDK-CQSZACIVSA-N 2 0 234.343 1.799 20 0 BDADRP CC(C)(O)C[NH2+]CCCC[NH+]1CCCC1 ZINC000390009439 962732025 /nfs/dbraw/zinc/73/20/25/962732025.db2.gz YJDKJSPQVJLJIB-UHFFFAOYSA-N 2 0 214.353 1.223 20 0 BDADRP C[C@H]1C[NH2+]CCC[C@@H]1CNc1cc[nH+]c(N)n1 ZINC001155033051 962947628 /nfs/dbraw/zinc/94/76/28/962947628.db2.gz RHYNFHNXGMZPLN-VHSXEESVSA-N 2 0 235.335 1.106 20 0 BDADRP Cc1ccc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)[nH+]c1C ZINC001155483074 963080969 /nfs/dbraw/zinc/08/09/69/963080969.db2.gz NHGYFAYAAPPPRI-JHJVBQTASA-N 2 0 247.342 1.345 20 0 BDADRP CC(C)(C)[NH+]1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000051889622 963259121 /nfs/dbraw/zinc/25/91/21/963259121.db2.gz GLXCIFOHVZCVHB-GFCCVEGCSA-N 2 0 225.380 1.012 20 0 BDADRP CC(C)N(CCC[NH3+])c1cccc(N)[nH+]1 ZINC001156118901 963264311 /nfs/dbraw/zinc/26/43/11/963264311.db2.gz ZFECIQXQZCNPPR-UHFFFAOYSA-N 2 0 208.309 1.227 20 0 BDADRP CCOc1cc[nH+]c(N(C)C2CC[NH2+]CC2)c1 ZINC001156171536 963271658 /nfs/dbraw/zinc/27/16/58/963271658.db2.gz BKEHQPJRNHGSCB-UHFFFAOYSA-N 2 0 235.331 1.669 20 0 BDADRP CN(c1ccc(Cl)c(N)n1)C1CC[NH2+]CC1 ZINC001156180372 963276411 /nfs/dbraw/zinc/27/64/11/963276411.db2.gz GCEKIVBRQHKPJG-UHFFFAOYSA-N 2 0 240.738 1.505 20 0 BDADRP CN(C)c1cc[nH+]c(N[C@H]2CC[N@H+](C)C2)c1 ZINC001156580772 963392415 /nfs/dbraw/zinc/39/24/15/963392415.db2.gz QPPMJIXTGQMZNK-JTQLQIEISA-N 2 0 220.320 1.264 20 0 BDADRP Cc1cnc(-n2cccc2C[NH3+])c(C[NH3+])c1 ZINC001156731346 963448491 /nfs/dbraw/zinc/44/84/91/963448491.db2.gz VONZGFAKDFGJKN-UHFFFAOYSA-N 2 0 216.288 1.098 20 0 BDADRP C[C@H](CO)[C@@H]1CCCC[N@@H+]1CCC[NH2+]C1CC1 ZINC000696779263 963477796 /nfs/dbraw/zinc/47/77/96/963477796.db2.gz QNLWDIHYIAYIIJ-OCCSQVGLSA-N 2 0 240.391 1.611 20 0 BDADRP CN(c1cc(N)cc[nH+]1)[C@]1(C)CCC[NH2+]C1 ZINC001156948151 963499081 /nfs/dbraw/zinc/49/90/81/963499081.db2.gz PPZSNWVGNDNLAI-GFCCVEGCSA-N 2 0 220.320 1.242 20 0 BDADRP Cc1cnc(N(C)[C@@]2(C)CCC[NH2+]C2)c(C[NH3+])c1 ZINC001156968932 963502142 /nfs/dbraw/zinc/50/21/42/963502142.db2.gz ZTIKDNHPIDOTOG-AWEZNQCLSA-N 2 0 248.374 1.427 20 0 BDADRP CN(C)c1cc[nH+]c(N(C)[C@@]2(C)CCC[NH2+]C2)c1 ZINC001156968442 963503129 /nfs/dbraw/zinc/50/31/29/963503129.db2.gz SKFMGVXRSIDSJR-AWEZNQCLSA-N 2 0 248.374 1.726 20 0 BDADRP Cc1cnc(N(C)[C@]2(C)CCC[NH2+]C2)c(C[NH3+])c1 ZINC001156968933 963503422 /nfs/dbraw/zinc/50/34/22/963503422.db2.gz ZTIKDNHPIDOTOG-CQSZACIVSA-N 2 0 248.374 1.427 20 0 BDADRP Cc1[nH+]c(N[C@H]2C[NH2+]CC[C@H]2F)cc2[nH]ccc21 ZINC001157450106 963607866 /nfs/dbraw/zinc/60/78/66/963607866.db2.gz GTYASQUJJMICBI-PWSUYJOCSA-N 2 0 248.305 1.983 20 0 BDADRP COC(C)(C)C[N@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000697036388 963665720 /nfs/dbraw/zinc/66/57/20/963665720.db2.gz KWFXCBNFFZTYNK-LBPRGKRZSA-N 2 0 228.380 1.733 20 0 BDADRP CCC1(Nc2[nH+]ccc3[nH]ccc32)C[NH2+]C1 ZINC001157777418 963722584 /nfs/dbraw/zinc/72/25/84/963722584.db2.gz LKJZVIPZYHKRMA-UHFFFAOYSA-N 2 0 216.288 1.727 20 0 BDADRP Cc1c[nH+]c(N(C(C)C)[C@@H]2CC[NH2+]C2)cc1N ZINC001158032641 963794465 /nfs/dbraw/zinc/79/44/65/963794465.db2.gz JUMZYAVRBBDLAW-LLVKDONJSA-N 2 0 234.347 1.549 20 0 BDADRP CC[NH2+][C@@H](CNC(=O)C[N@H+](C)C(C)C)C(C)C ZINC001482573183 963803953 /nfs/dbraw/zinc/80/39/53/963803953.db2.gz VJVAKBORUYBQOV-LBPRGKRZSA-N 2 0 243.395 1.077 20 0 BDADRP C[C@@H]1C[C@H]([NH+]2CC3(C2)CC[NH+](C)CC3)CCO1 ZINC001168134925 963827518 /nfs/dbraw/zinc/82/75/18/963827518.db2.gz DPJBRSCCCFLCMW-CHWSQXEVSA-N 2 0 238.375 1.582 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)CCO1 ZINC001168139378 963842343 /nfs/dbraw/zinc/84/23/43/963842343.db2.gz SDWMYLZXZGZXJN-RDBSUJKOSA-N 2 0 238.375 1.582 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H](CCF)C1 ZINC000689459048 963924806 /nfs/dbraw/zinc/92/48/06/963924806.db2.gz CDFVYNGPPGUULP-UPJWGTAASA-N 2 0 228.355 1.914 20 0 BDADRP Cc1c[nH+]c(N(C)C(C)(C)C[NH3+])cc1N ZINC001159055853 963985527 /nfs/dbraw/zinc/98/55/27/963985527.db2.gz ZIWVHOGEYNOLOY-UHFFFAOYSA-N 2 0 208.309 1.146 20 0 BDADRP Cc1c2[nH+]c[nH]c2ccc1N[C@H]1C[NH2+]CC[C@H]1F ZINC001168227294 964006572 /nfs/dbraw/zinc/00/65/72/964006572.db2.gz YZSJJVDQIGXEHX-SKDRFNHKSA-N 2 0 248.305 1.983 20 0 BDADRP C(Nc1cnc2c(c1)C[NH2+]CC2)=C1CC[NH2+]CC1 ZINC001159138878 964008759 /nfs/dbraw/zinc/00/87/59/964008759.db2.gz POUNXOSFCCJRTL-UHFFFAOYSA-N 2 0 244.342 1.407 20 0 BDADRP COc1ccc2c(c1)C[C@H]([NH2+]C1CC([NH3+])C1)C2 ZINC001168241234 964044491 /nfs/dbraw/zinc/04/44/91/964044491.db2.gz HABCEEZMBQFGSU-OTTFEQOBSA-N 2 0 232.327 1.242 20 0 BDADRP Cc1ccc(Cl)nc1N[C@H]([NH3+])CCC[NH3+] ZINC001159779954 964184071 /nfs/dbraw/zinc/18/40/71/964184071.db2.gz MGQPYSUJYGYGQE-VIFPVBQESA-N 2 0 228.727 1.479 20 0 BDADRP C[C@@H]([NH3+])CCNc1cccc(N(C)C)[nH+]1 ZINC001159774644 964192343 /nfs/dbraw/zinc/19/23/43/964192343.db2.gz ILZLJVGLQPLUHR-SECBINFHSA-N 2 0 208.309 1.297 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1nncc2ccccc21 ZINC001159786091 964198746 /nfs/dbraw/zinc/19/87/46/964198746.db2.gz WDMYLYQMLIKNPN-LLVKDONJSA-N 2 0 231.303 1.065 20 0 BDADRP Cc1cc(Cl)c(C)nc1N[C@@H]([NH3+])CCC[NH3+] ZINC001159786573 964199980 /nfs/dbraw/zinc/19/99/80/964199980.db2.gz DUUDOBWRLSFPQV-SNVBAGLBSA-N 2 0 242.754 1.787 20 0 BDADRP Cc1cc(C(C)C)nc(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001159789271 964201848 /nfs/dbraw/zinc/20/18/48/964201848.db2.gz RCEKUKLLNZJGSQ-LLVKDONJSA-N 2 0 237.351 1.344 20 0 BDADRP CSCc1ccc(N[C@@H]([NH3+])CCC[NH3+])nc1 ZINC001159789305 964202656 /nfs/dbraw/zinc/20/26/56/964202656.db2.gz RUGAYMYOUDJFAH-SNVBAGLBSA-N 2 0 240.376 1.380 20 0 BDADRP [NH3+]C1CN(c2cccc(NC3=CCC[NH2+]C3)c2)C1 ZINC001159988938 964233497 /nfs/dbraw/zinc/23/34/97/964233497.db2.gz HBXRWRRVKQEZGC-UHFFFAOYSA-N 2 0 244.342 1.123 20 0 BDADRP C[NH+](C)C1CCC([NH2+]Cc2ncco2)CC1 ZINC001168290567 964382317 /nfs/dbraw/zinc/38/23/17/964382317.db2.gz OSSYDEMFNANBKI-UHFFFAOYSA-N 2 0 223.320 1.637 20 0 BDADRP C[NH+](C)C1CCC([NH2+]CC2COC2)CC1 ZINC001168290766 964386453 /nfs/dbraw/zinc/38/64/53/964386453.db2.gz WISZOJKWQDCCPW-UHFFFAOYSA-N 2 0 212.337 1.095 20 0 BDADRP C[NH+](C)C1CCC([NH2+]CCn2cccc2)CC1 ZINC001168294979 964386471 /nfs/dbraw/zinc/38/64/71/964386471.db2.gz LXYOMBYGYSTLKE-UHFFFAOYSA-N 2 0 235.375 1.951 20 0 BDADRP C[NH+](C)C1CCC([NH2+]C2(C)COC2)CC1 ZINC001168295062 964389114 /nfs/dbraw/zinc/38/91/14/964389114.db2.gz RZPFSLSLLCZYCB-UHFFFAOYSA-N 2 0 212.337 1.238 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCOC[C@@H]2F)CC1 ZINC001168299895 964394346 /nfs/dbraw/zinc/39/43/46/964394346.db2.gz PWASNAICSZHFOG-IFWUJCSASA-N 2 0 244.354 1.576 20 0 BDADRP C[NH+](C)C1CCC([NH2+]CCc2ncccn2)CC1 ZINC001168300330 964397915 /nfs/dbraw/zinc/39/79/15/964397915.db2.gz UKJFMZWMVBTPQW-UHFFFAOYSA-N 2 0 248.374 1.482 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2C[C@@H]3C[C@@H]3C2)CC1 ZINC001168313731 964414134 /nfs/dbraw/zinc/41/41/34/964414134.db2.gz GNKDLUNELRYBFN-MPEURRAXSA-N 2 0 208.349 1.811 20 0 BDADRP C[C@@H]1C[N@H+](C2CCC([NH+](C)C)CC2)C[C@H](C)O1 ZINC001168315723 964419537 /nfs/dbraw/zinc/41/95/37/964419537.db2.gz LXAHWJXVQKMEAT-VTXSZYRJSA-N 2 0 240.391 1.968 20 0 BDADRP C[NH+](C)C1CCC([N@H+](C)Cc2ncccn2)CC1 ZINC001168315498 964425768 /nfs/dbraw/zinc/42/57/68/964425768.db2.gz WQEVFSNDUCJMDP-UHFFFAOYSA-N 2 0 248.374 1.781 20 0 BDADRP C[C@@H]1C[C@@H](O)C[N@@H+]1C1CCC([NH+](C)C)CC1 ZINC001168315020 964426342 /nfs/dbraw/zinc/42/63/42/964426342.db2.gz OYGSEPPLVPWZFC-IKWCTNDRSA-N 2 0 226.364 1.314 20 0 BDADRP CN1CC[C@@H]([N@H+](C)C2CCC([NH+](C)C)CC2)C1 ZINC001168323813 964449929 /nfs/dbraw/zinc/44/99/29/964449929.db2.gz CVWXRJAKKURKOA-JXQTWKCFSA-N 2 0 239.407 1.495 20 0 BDADRP CC(=O)[C@H]1CC[N@@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168328428 964460277 /nfs/dbraw/zinc/46/02/77/964460277.db2.gz GARQGBIUECRLLI-HSBZDZAISA-N 2 0 238.375 1.770 20 0 BDADRP CN(C(=O)[C@H]([NH3+])C(C)(C)C)[C@H]1CCCC[C@H]1[NH3+] ZINC001161062917 964511255 /nfs/dbraw/zinc/51/12/55/964511255.db2.gz LARZZJHWSFFBIC-VWYCJHECSA-N 2 0 241.379 1.088 20 0 BDADRP CCC[N@@H+]1CC[C@@H](CNC2=[NH+]CCCCN2)C1 ZINC000697746310 964514745 /nfs/dbraw/zinc/51/47/45/964514745.db2.gz DYJMUHKDYWVRTM-LBPRGKRZSA-N 2 0 238.379 1.047 20 0 BDADRP Cc1cnc(C[NH3+])n1C1CC[NH+](CC2CC2)CC1 ZINC001168358930 964542395 /nfs/dbraw/zinc/54/23/95/964542395.db2.gz YJNUEHDFGIXOLR-UHFFFAOYSA-N 2 0 248.374 1.697 20 0 BDADRP c1nocc1CC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168365785 964727899 /nfs/dbraw/zinc/72/78/99/964727899.db2.gz WVLHZSMWGWEQNZ-UHFFFAOYSA-N 2 0 249.358 1.681 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCN(C)C1)C1CC[NH+](C)CC1 ZINC000042545376 964828671 /nfs/dbraw/zinc/82/86/71/964828671.db2.gz QDIKSJKPYLOFQK-YPMHNXCESA-N 2 0 225.380 1.010 20 0 BDADRP C[N@@H+]1CCCC[C@H]1CO[C@H]1C[NH+]2CCC1CC2 ZINC001224700886 964887787 /nfs/dbraw/zinc/88/77/87/964887787.db2.gz BVPHTCKMTDXHIU-KBPBESRZSA-N 2 0 238.375 1.582 20 0 BDADRP C[NH+](C)/C=C/c1ccncc1-n1cnc(C[NH3+])c1 ZINC001162304495 964918703 /nfs/dbraw/zinc/91/87/03/964918703.db2.gz KFLHJRBEXRSKEE-GQCTYLIASA-N 2 0 243.314 1.258 20 0 BDADRP [NH3+]Cc1cn(-c2ccc([C@H]3CCC[NH2+]3)cc2)cn1 ZINC001162303954 964919545 /nfs/dbraw/zinc/91/95/45/964919545.db2.gz BGLJFVFUMIRNPH-CQSZACIVSA-N 2 0 242.326 1.756 20 0 BDADRP CN(C)c1ccc(N[C@H]2CCC[C@@H]([NH3+])C2)nc1 ZINC001162402281 964959323 /nfs/dbraw/zinc/95/93/23/964959323.db2.gz QBOLCSAPHKKOMG-MNOVXSKESA-N 2 0 234.347 1.829 20 0 BDADRP CN(C)c1ccc(N[C@@H]2CCC[C@H]([NH3+])C2)nc1 ZINC001162402283 964959480 /nfs/dbraw/zinc/95/94/80/964959480.db2.gz QBOLCSAPHKKOMG-WDEREUQCSA-N 2 0 234.347 1.829 20 0 BDADRP C[n+]1cccc(N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC001162403491 964961650 /nfs/dbraw/zinc/96/16/50/964961650.db2.gz DNSHZNGACJPOJB-QWRGUYRKSA-N 2 0 206.313 1.193 20 0 BDADRP [NH3+][C@H]1CCc2c1cccc2NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001162482074 964995299 /nfs/dbraw/zinc/99/52/99/964995299.db2.gz ZTJVWZLBKBBMLY-KWBADKCTSA-N 2 0 249.333 1.745 20 0 BDADRP CC1(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000698094246 964998257 /nfs/dbraw/zinc/99/82/57/964998257.db2.gz ZPWOSDKYFUAYAA-JZRPKSSGSA-N 2 0 220.360 1.763 20 0 BDADRP C[C@@H]1C[C@@H](CNc2cccc(C[NH+](C)C)n2)C[NH2+]1 ZINC001162558131 965046727 /nfs/dbraw/zinc/04/67/27/965046727.db2.gz QANSHAJCNNHSGZ-VXGBXAGGSA-N 2 0 248.374 1.553 20 0 BDADRP CC[NH+](CC)CCO[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001224921578 965090397 /nfs/dbraw/zinc/09/03/97/965090397.db2.gz AGTIGTQZMUELSS-WDNDVIMCSA-N 2 0 240.391 1.970 20 0 BDADRP CC(C)(F)CC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000698240175 965125468 /nfs/dbraw/zinc/12/54/68/965125468.db2.gz YXNQKMAUTSGNFN-ZJUUUORDSA-N 2 0 214.328 1.984 20 0 BDADRP COC[C@H]1CCN1C1CC[NH+](CC2CC2)CC1 ZINC001168395207 965141226 /nfs/dbraw/zinc/14/12/26/965141226.db2.gz QGDLQMUQBBVBRV-CQSZACIVSA-N 2 0 238.375 1.582 20 0 BDADRP Cc1ccc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)[nH+]c1C ZINC001162792933 965182720 /nfs/dbraw/zinc/18/27/20/965182720.db2.gz JGUOMYPZJDMGQV-RWMBFGLXSA-N 2 0 229.327 1.884 20 0 BDADRP Cc1cnc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)c(C[NH3+])c1 ZINC001162799355 965185936 /nfs/dbraw/zinc/18/59/36/965185936.db2.gz YGTOFUYTCHPPDR-KGYLQXTDSA-N 2 0 244.342 1.035 20 0 BDADRP Cc1c[nH+]c(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)cc1N ZINC001162797883 965187717 /nfs/dbraw/zinc/18/77/17/965187717.db2.gz PPBAYRANGJBEGN-JFGNBEQYSA-N 2 0 230.315 1.158 20 0 BDADRP Cc1c[nH+]c(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)cc1N ZINC001162797880 965188499 /nfs/dbraw/zinc/18/84/99/965188499.db2.gz PPBAYRANGJBEGN-CKYFFXLPSA-N 2 0 230.315 1.158 20 0 BDADRP Cc1ccc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)[nH+]c1N ZINC001163261500 965319706 /nfs/dbraw/zinc/31/97/06/965319706.db2.gz ZMWPYNOFCMLWDF-VWYCJHECSA-N 2 0 232.331 1.382 20 0 BDADRP Nc1cc[nH+]c(N[C@H](C[NH3+])c2ccccc2)c1 ZINC001163292857 965326190 /nfs/dbraw/zinc/32/61/90/965326190.db2.gz XDUIYMADTPYWKS-GFCCVEGCSA-N 2 0 228.299 1.776 20 0 BDADRP C[N@H+](CCc1cccnc1)CC1CC[NH2+]CC1 ZINC000094024855 965388302 /nfs/dbraw/zinc/38/83/02/965388302.db2.gz DQWNHEIRCSNVBH-UHFFFAOYSA-N 2 0 233.359 1.556 20 0 BDADRP C[NH2+]CCN(C)c1cc2[nH]ccc2c(C)[nH+]1 ZINC001163721327 965536343 /nfs/dbraw/zinc/53/63/43/965536343.db2.gz WQMBCZAKFWIINA-UHFFFAOYSA-N 2 0 218.304 1.527 20 0 BDADRP C[C@@H](C[NH+](C)C)Nc1c[nH+]cc2cc[nH]c21 ZINC001163776547 965581736 /nfs/dbraw/zinc/58/17/36/965581736.db2.gz CWBGCGYJQOULLB-VIFPVBQESA-N 2 0 218.304 1.925 20 0 BDADRP C[C@@H](C[NH+](C)C)Nc1cnc2c(c1)C[NH2+]CC2 ZINC001163776707 965583777 /nfs/dbraw/zinc/58/37/77/965583777.db2.gz IGKUSWKDRURCDH-JTQLQIEISA-N 2 0 234.347 1.089 20 0 BDADRP COC(=O)CC[N@H+](CC1CC[NH2+]CC1)C1CC1 ZINC000094042253 965679247 /nfs/dbraw/zinc/67/92/47/965679247.db2.gz BAIZLCVECPNGIN-UHFFFAOYSA-N 2 0 240.347 1.014 20 0 BDADRP Cn1cccc1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205093795 965718952 /nfs/dbraw/zinc/71/89/52/965718952.db2.gz GFUXGTFWPDVWJI-LLVKDONJSA-N 2 0 207.321 1.338 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH3+])N(c2cc(N)cc[nH+]2)C1 ZINC001164063299 965724496 /nfs/dbraw/zinc/72/44/96/965724496.db2.gz RJXPLFMVDJJYSF-KOLCDFICSA-N 2 0 220.320 1.227 20 0 BDADRP [NH3+][C@@H]1CCC[N@H+](Cc2cccc(O)c2)CC1 ZINC001205095034 965734189 /nfs/dbraw/zinc/73/41/89/965734189.db2.gz TXOGZHGBRWEZPU-GFCCVEGCSA-N 2 0 220.316 1.705 20 0 BDADRP CC(C)N(CCC[NH3+])c1ccccc1CC[NH3+] ZINC001164126672 965749108 /nfs/dbraw/zinc/74/91/08/965749108.db2.gz DGYZASFKJCOMFQ-UHFFFAOYSA-N 2 0 235.375 1.751 20 0 BDADRP C([NH2+]C[C@@H]1CCCCO1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699209160 965812185 /nfs/dbraw/zinc/81/21/85/965812185.db2.gz HTRGJVODAQHDCE-GSPSYOTPSA-N 2 0 238.375 1.676 20 0 BDADRP C[N@H+](C[C@H]1CCOC1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699260576 965825702 /nfs/dbraw/zinc/82/57/02/965825702.db2.gz NVNPMJGXKRNIPU-RLAWYHOSSA-N 2 0 238.375 1.485 20 0 BDADRP Cn1cc(C[N@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000699259058 965825804 /nfs/dbraw/zinc/82/58/04/965825804.db2.gz ISLKAIATHYCHOJ-QXMXGUDHSA-N 2 0 248.374 1.383 20 0 BDADRP [NH3+][C@@H]1CCN(c2ccc([C@@H]3CCC[NH2+]C3)cc2)C1 ZINC001164289223 965831276 /nfs/dbraw/zinc/83/12/76/965831276.db2.gz WCRWMNWXGOVPMA-ZIAGYGMSSA-N 2 0 245.370 1.691 20 0 BDADRP [NH3+][C@@H]1CCCN(Cc2ccc(O)cn2)CC1 ZINC001205109254 965831374 /nfs/dbraw/zinc/83/13/74/965831374.db2.gz CLNLTMAEIITPOD-SNVBAGLBSA-N 2 0 221.304 1.100 20 0 BDADRP C[C@H]1C[N@H+](Cc2cccn2C)C[C@H]1C[NH3+] ZINC001205131199 965938320 /nfs/dbraw/zinc/93/83/20/965938320.db2.gz TXWKIIWUSGYBGR-WDEREUQCSA-N 2 0 207.321 1.052 20 0 BDADRP CC[C@@H]1COC[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000699535680 965946940 /nfs/dbraw/zinc/94/69/40/965946940.db2.gz WZEMDHYFXJAHQP-OLZOCXBDSA-N 2 0 226.364 1.343 20 0 BDADRP C[N@@H+]1CCC[C@H](CCNc2cnc(C[NH3+])nc2)C1 ZINC001165277870 966025012 /nfs/dbraw/zinc/02/50/12/966025012.db2.gz AYWKHAWIQREYMV-LLVKDONJSA-N 2 0 249.362 1.079 20 0 BDADRP Cc1cc(C)c(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cn1 ZINC001205146424 966042589 /nfs/dbraw/zinc/04/25/89/966042589.db2.gz VURMOHQPEGCLML-WCQYABFASA-N 2 0 233.359 1.725 20 0 BDADRP Cn1ccc2c1cc[nH+]c2N1C[C@@H]2C[C@]2([NH3+])C1 ZINC001165313019 966043270 /nfs/dbraw/zinc/04/32/70/966043270.db2.gz FYZUCQCAFITSBR-ZANVPECISA-N 2 0 228.299 1.111 20 0 BDADRP C[C@@H]1C[NH2+][C@@H](C)CN1Cc1cccc(C[NH3+])c1 ZINC001235450634 966060529 /nfs/dbraw/zinc/06/05/29/966060529.db2.gz SPNUACBLVBNGSA-NWDGAFQWSA-N 2 0 233.359 1.328 20 0 BDADRP c1cc2c[nH+]c(N3CCC[C@@H]4[NH2+]C[C@H]43)cc2[nH]1 ZINC001165388180 966080475 /nfs/dbraw/zinc/08/04/75/966080475.db2.gz VQYXIXRTFFLVBL-CMPLNLGQSA-N 2 0 228.299 1.504 20 0 BDADRP Cc1[nH+]c(N2CCC[C@H]3[NH2+]C[C@@H]32)cc2[nH]ccc21 ZINC001165389578 966086544 /nfs/dbraw/zinc/08/65/44/966086544.db2.gz AYIKPSUTYDSBKS-YPMHNXCESA-N 2 0 242.326 1.812 20 0 BDADRP Nc1cc[nH+]c(N2CCC(C3C[NH2+]C3)CC2)c1 ZINC001165408811 966098997 /nfs/dbraw/zinc/09/89/97/966098997.db2.gz HLUPPJSXWMRWOI-UHFFFAOYSA-N 2 0 232.331 1.100 20 0 BDADRP CCC1([NH+](C)C)CC[NH+]([C@@H](C)[C@@H](C)O)CC1 ZINC000715266421 966110591 /nfs/dbraw/zinc/11/05/91/966110591.db2.gz NTVSUDCZXICBFL-NWDGAFQWSA-N 2 0 228.380 1.562 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCN1C[C@@H]([NH3+])c1ccccc1 ZINC001205171452 966212101 /nfs/dbraw/zinc/21/21/01/966212101.db2.gz RCKBQSXXAMVKFR-RAIGVLPGSA-N 2 0 219.332 1.108 20 0 BDADRP CC1(C[NH3+])C[NH+](C[C@H]2CCOC(C)(C)C2)C1 ZINC001206711932 966258913 /nfs/dbraw/zinc/25/89/13/966258913.db2.gz QQCYPGZHOJUVRN-NSHDSACASA-N 2 0 226.364 1.472 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](C)N1CCCCCC[NH3+] ZINC001236104464 966269572 /nfs/dbraw/zinc/26/95/72/966269572.db2.gz KPSWWGUWNRIXNC-VXGBXAGGSA-N 2 0 213.369 1.188 20 0 BDADRP [NH3+]CCc1nccn1-c1c[nH+]cc2cc[nH]c21 ZINC001166370281 966273707 /nfs/dbraw/zinc/27/37/07/966273707.db2.gz VNPZUPRCUAQANP-UHFFFAOYSA-N 2 0 227.271 1.250 20 0 BDADRP C([C@@H]1CCC[NH2+]1)N(C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236584489 966470261 /nfs/dbraw/zinc/47/02/61/966470261.db2.gz FRGBMIUSPJAPCK-STQMWFEESA-N 2 0 237.391 1.202 20 0 BDADRP COc1cc[nH+]c(N2CC[C@@H]([NH3+])C(F)(F)C2)c1 ZINC001166959245 966484176 /nfs/dbraw/zinc/48/41/76/966484176.db2.gz CNLONRQYNKFVPA-SECBINFHSA-N 2 0 243.257 1.263 20 0 BDADRP [NH3+]C[C@@H]1Cc2ccccc2CN1C[C@@H]1CCC[NH2+]1 ZINC001237019027 966625313 /nfs/dbraw/zinc/62/53/13/966625313.db2.gz AAKUPKKOGNCFRG-GJZGRUSLSA-N 2 0 245.370 1.124 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237384728 966656456 /nfs/dbraw/zinc/65/64/56/966656456.db2.gz XSBIGMBTGCZHEW-KGLIPLIRSA-N 3 0 239.407 1.579 20 0 BDADRP CN1CCC[C@H]([NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC000715492539 966920776 /nfs/dbraw/zinc/92/07/76/966920776.db2.gz UUKXWMUXFBLKLU-MOKVOYLWSA-N 2 0 239.407 1.543 20 0 BDADRP C[NH+](C)[C@H]1CCCC[C@@H]1Nc1cc(C[NH3+])ccn1 ZINC001168593219 966958656 /nfs/dbraw/zinc/95/86/56/966958656.db2.gz JDOISCDOQHTZLX-STQMWFEESA-N 2 0 248.374 1.825 20 0 BDADRP C[NH+](C)[C@H]1CCCC[C@@H]1Nc1cccc(C[NH3+])n1 ZINC001168601215 966970910 /nfs/dbraw/zinc/97/09/10/966970910.db2.gz NCQRWZBDSIOGHD-STQMWFEESA-N 2 0 248.374 1.825 20 0 BDADRP C(C1CC2(C1)CC[NH2+]CC2)[N@@H+]1CCC[NH2+]CC1 ZINC001204654949 967116636 /nfs/dbraw/zinc/11/66/36/967116636.db2.gz IWOWQJZUDWVLPO-UHFFFAOYSA-N 3 0 237.391 1.062 20 0 BDADRP Cn1cc2c(cccc2CN2CCC[NH2+]CC2)n1 ZINC001204667958 967126712 /nfs/dbraw/zinc/12/67/12/967126712.db2.gz PXFFQDHWBWNCBI-UHFFFAOYSA-N 2 0 244.342 1.369 20 0 BDADRP C[NH+](C)CC1(CN2CC[C@](C)([NH3+])C2)CCCC1 ZINC001204763395 967153008 /nfs/dbraw/zinc/15/30/08/967153008.db2.gz IPOVZJKMYIPWBF-ZDUSSCGKSA-N 2 0 239.407 1.532 20 0 BDADRP CC[C@@H](O)C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000715561004 967184119 /nfs/dbraw/zinc/18/41/19/967184119.db2.gz GDTCHPVFXRTYLB-SDDRHHMPSA-N 2 0 214.353 1.220 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@@H](N[C@@H]2CCC[NH2+]C2)C1 ZINC000715575083 967190880 /nfs/dbraw/zinc/19/08/80/967190880.db2.gz WLZIGENYWKVMKZ-JHJVBQTASA-N 2 0 225.380 1.201 20 0 BDADRP COC(C[NH2+]C1CCC([NH+](C)C)CC1)OC ZINC000715585178 967194624 /nfs/dbraw/zinc/19/46/24/967194624.db2.gz SSWUTIXTRSGVCW-UHFFFAOYSA-N 2 0 230.352 1.068 20 0 BDADRP C[C@]1([NH3+])CCCN(CC[C@H]2CCCC[NH2+]2)C1 ZINC001204939295 967243979 /nfs/dbraw/zinc/24/39/79/967243979.db2.gz QNFJHYHWTIDAQJ-OLZOCXBDSA-N 2 0 225.380 1.332 20 0 BDADRP Cc1cc(C[NH+]2CCC(C[NH3+])CC2)ccc1O ZINC001205041181 967268447 /nfs/dbraw/zinc/26/84/47/967268447.db2.gz NUYYHOSQARWOTN-UHFFFAOYSA-N 2 0 234.343 1.871 20 0 BDADRP C[NH+](C)CC(C)(C)C[NH+]1CCC(C[NH3+])CC1 ZINC001205026687 967274474 /nfs/dbraw/zinc/27/44/74/967274474.db2.gz WTQGHUNUQWXQRO-UHFFFAOYSA-N 3 0 227.396 1.245 20 0 BDADRP CC1(C[NH+]2CCC(C[NH3+])CC2)CC[NH2+]CC1 ZINC001205026183 967296186 /nfs/dbraw/zinc/29/61/86/967296186.db2.gz MOMORRAZYXSGNT-UHFFFAOYSA-N 3 0 225.380 1.047 20 0 BDADRP Cn1cc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c(C2CC2)n1 ZINC001205117537 967365309 /nfs/dbraw/zinc/36/53/09/967365309.db2.gz QKNYBRDDUCVVLE-CYBMUJFWSA-N 2 0 248.374 1.611 20 0 BDADRP CS[C@@H](C)CC[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205131441 967375601 /nfs/dbraw/zinc/37/56/01/967375601.db2.gz ZZQNRIAJVDDPQT-GARJFASQSA-N 2 0 216.394 1.655 20 0 BDADRP C[C@H]1C[N@H+](CCCc2cccnc2)C[C@H]1C[NH3+] ZINC001205130680 967375644 /nfs/dbraw/zinc/37/56/44/967375644.db2.gz LJQAKKZKSHWWDR-GXTWGEPZSA-N 2 0 233.359 1.541 20 0 BDADRP Cc1cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)oc1C ZINC001205135867 967380426 /nfs/dbraw/zinc/38/04/26/967380426.db2.gz AKSQZIYIIVQCNL-CMPLNLGQSA-N 2 0 222.332 1.923 20 0 BDADRP C[C@H]1C[N@H+](Cc2c[nH]c3cnccc23)C[C@H]1C[NH3+] ZINC001205146635 967389374 /nfs/dbraw/zinc/38/93/74/967389374.db2.gz ZSFGWQULTWOAIG-WDEREUQCSA-N 2 0 244.342 1.590 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCN1Cc1cccc2nn(C)cc21 ZINC001205191142 967418346 /nfs/dbraw/zinc/41/83/46/967418346.db2.gz XYDQJSXYSPOVEM-ZWNOBZJWSA-N 2 0 244.342 1.495 20 0 BDADRP CC(C)(C)C[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205208945 967428350 /nfs/dbraw/zinc/42/83/50/967428350.db2.gz GIZKEIXSDNULPS-LBPRGKRZSA-N 2 0 214.353 1.208 20 0 BDADRP Cc1ccc(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)cn1 ZINC001205228631 967428882 /nfs/dbraw/zinc/42/88/82/967428882.db2.gz GRQJESRKPWUBKX-AWEZNQCLSA-N 2 0 249.358 1.066 20 0 BDADRP C1COC2(CCC([NH2+]C3CC[NH2+]CC3)CC2)O1 ZINC000715730550 967430272 /nfs/dbraw/zinc/43/02/72/967430272.db2.gz ILDPJOVMAUQSEN-UHFFFAOYSA-N 2 0 240.347 1.014 20 0 BDADRP [NH3+]C[C@]1(O)CCC[N@H+](CC2CCCC2)CC1 ZINC001205210135 967430414 /nfs/dbraw/zinc/43/04/14/967430414.db2.gz NCSCBTDUJFIHPQ-ZDUSSCGKSA-N 2 0 226.364 1.352 20 0 BDADRP C[C@@]1([NH3+])CCC[N@H+](Cc2ccccc2N)CC1 ZINC001205287901 967483812 /nfs/dbraw/zinc/48/38/12/967483812.db2.gz CVBDONLAVHCUJV-CQSZACIVSA-N 2 0 233.359 1.972 20 0 BDADRP C[C@@H]1CCNCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC001205324414 967541717 /nfs/dbraw/zinc/54/17/17/967541717.db2.gz AXMZTTDYZQEHOP-GFCCVEGCSA-N 2 0 225.380 1.060 20 0 BDADRP Cc1cc(N)[nH+]cc1CCCN1CC[NH+](C)CC1 ZINC001250231523 967544986 /nfs/dbraw/zinc/54/49/86/967544986.db2.gz QCYAMHDDHYKAPI-UHFFFAOYSA-N 2 0 248.374 1.152 20 0 BDADRP Cc1c(O)cccc1C[NH+]1CCC(C[NH3+])CC1 ZINC001205047235 967617953 /nfs/dbraw/zinc/61/79/53/967617953.db2.gz RXLDRDUQWYGGDK-UHFFFAOYSA-N 2 0 234.343 1.871 20 0 BDADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cccnc2)CC1 ZINC001205545319 967689123 /nfs/dbraw/zinc/68/91/23/967689123.db2.gz CZPHAAOLLWEZMN-CYBMUJFWSA-N 2 0 237.322 1.735 20 0 BDADRP C[C@H]1CC[N@H+](CC23CC([NH3+])(C2)C3)CC[C@@H]1C[NH3+] ZINC001205602533 967717347 /nfs/dbraw/zinc/71/73/47/967717347.db2.gz JFVNDYNCVQWBQR-MRFVTOPCSA-N 3 0 237.391 1.175 20 0 BDADRP C[C@H]1CC[N@H+](CCCCCO)CC[C@H]1C[NH3+] ZINC001205603532 967719288 /nfs/dbraw/zinc/71/92/88/967719288.db2.gz PWMOZICGUBMEPM-STQMWFEESA-N 2 0 228.380 1.456 20 0 BDADRP C[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)CC[C@@H]1C[NH3+] ZINC001205603590 967720690 /nfs/dbraw/zinc/72/06/90/967720690.db2.gz QPPVIVSCBJDSBY-TZMCWYRMSA-N 3 0 239.407 1.293 20 0 BDADRP Cc1nc[nH]c1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205602805 967721832 /nfs/dbraw/zinc/72/18/32/967721832.db2.gz MPERNXQAPXPPTD-ZYHUDNBSSA-N 2 0 236.363 1.525 20 0 BDADRP C[C@H]1CC[N@H+](Cc2cc[nH]c(=O)c2)CC[C@@H]1C[NH3+] ZINC001205618056 967725519 /nfs/dbraw/zinc/72/55/19/967725519.db2.gz RACLSVKFQUHQRL-WCQYABFASA-N 2 0 249.358 1.594 20 0 BDADRP C[C@H]1CC[N@H+](Cc2ccc[nH]c2=O)CC[C@@H]1C[NH3+] ZINC001205617739 967728237 /nfs/dbraw/zinc/72/82/37/967728237.db2.gz NAXGHAMGKYDXPY-NWDGAFQWSA-N 2 0 249.358 1.594 20 0 BDADRP C[C@H]1CC[N@H+](Cc2cnccn2)CC[C@@H]1C[NH3+] ZINC001205617887 967730813 /nfs/dbraw/zinc/73/08/13/967730813.db2.gz OUAYIWULYZEWBR-NWDGAFQWSA-N 2 0 234.347 1.283 20 0 BDADRP C[C@H]1CC[N@H+](Cc2ncccc2N)CC[C@H]1C[NH3+] ZINC001205616245 967731391 /nfs/dbraw/zinc/73/13/91/967731391.db2.gz DSKAHALXXYKIGS-RYUDHWBXSA-N 2 0 248.374 1.471 20 0 BDADRP Cc1ncncc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205652528 967743646 /nfs/dbraw/zinc/74/36/46/967743646.db2.gz PYLJFTABMZEPKD-AAEUAGOBSA-N 2 0 248.374 1.592 20 0 BDADRP [NH3+]C[C@@]1(O)CCCC[N@H+](CCc2ccccc2)C1 ZINC001205663378 967749907 /nfs/dbraw/zinc/74/99/07/967749907.db2.gz IVBRDQDTPNHBSS-HNNXBMFYSA-N 2 0 248.370 1.405 20 0 BDADRP Cc1cncc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)c1 ZINC001205672817 967762443 /nfs/dbraw/zinc/76/24/43/967762443.db2.gz LWQJIRASMKQTDC-AWEZNQCLSA-N 2 0 249.358 1.066 20 0 BDADRP C[N@@H+]1CC[C@@H]2CN(Cc3cnoc3)C[C@@H]2C1 ZINC001205685054 967778630 /nfs/dbraw/zinc/77/86/30/967778630.db2.gz UKENUXLSDBPEDD-NEPJUHHUSA-N 2 0 221.304 1.058 20 0 BDADRP C[C@@H]1CC[C@H](C[NH3+])N(CC[C@@H]2CCCC[NH2+]2)C1 ZINC001205803626 967831377 /nfs/dbraw/zinc/83/13/77/967831377.db2.gz IHYPQANCVFZDID-HZSPNIEDSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@@H]1C[N@H+](CCCC[NH3+])CCC1(F)F ZINC001205902251 967879810 /nfs/dbraw/zinc/87/98/10/967879810.db2.gz JHTAUAKJXQDNFH-SECBINFHSA-N 2 0 206.280 1.702 20 0 BDADRP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001205903497 967880642 /nfs/dbraw/zinc/88/06/42/967880642.db2.gz PRTJJPDRACVHGJ-MCIONIFRSA-N 3 0 239.407 1.435 20 0 BDADRP CC[C@H](N)C[N@@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205981759 967926533 /nfs/dbraw/zinc/92/65/33/967926533.db2.gz GSROHKQVZDAJFK-WOPDTQHZSA-N 2 0 213.369 1.031 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cccnc2)CCC[C@H]1C[NH3+] ZINC001205994137 967946612 /nfs/dbraw/zinc/94/66/12/967946612.db2.gz JRPPOTYOJCCHRQ-OCCSQVGLSA-N 2 0 233.359 1.888 20 0 BDADRP C[C@H]1C[N@H+](Cc2ncco2)CCC[C@@H]1C[NH3+] ZINC001206003765 967956024 /nfs/dbraw/zinc/95/60/24/967956024.db2.gz MHWLPEXEWKKADE-WDEREUQCSA-N 2 0 223.320 1.481 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccncn2)CCC[C@H]1C[NH3+] ZINC001206003898 967962730 /nfs/dbraw/zinc/96/27/30/967962730.db2.gz NKHFSXQWGAPMEU-NEPJUHHUSA-N 2 0 234.347 1.283 20 0 BDADRP C[N@H+](C[C@H]1CCCC[NH2+]C1)[C@@H]1CCOC1 ZINC000697039916 967987561 /nfs/dbraw/zinc/98/75/61/967987561.db2.gz HHNDGZFBDVNTNX-NWDGAFQWSA-N 2 0 212.337 1.097 20 0 BDADRP Cc1nonc1C[N@@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206036753 967990284 /nfs/dbraw/zinc/99/02/84/967990284.db2.gz PJWDXRFZGSWRIX-MWLCHTKSSA-N 2 0 238.335 1.185 20 0 BDADRP CS[C@@H](C)CCN1C[C@@H](C)[C@H]([NH3+])C1 ZINC001206053032 968018961 /nfs/dbraw/zinc/01/89/61/968018961.db2.gz GHYFUYJCRORRQJ-KXUCPTDWSA-N 2 0 202.367 1.407 20 0 BDADRP Cc1cnccc1C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206165779 968102816 /nfs/dbraw/zinc/10/28/16/968102816.db2.gz OTWFLEBDWBFWTE-OLZOCXBDSA-N 2 0 237.322 1.651 20 0 BDADRP Cc1cc(C[NH3+])nn1-c1ccc([C@H](C)[NH3+])cc1 ZINC001163985078 968150744 /nfs/dbraw/zinc/15/07/44/968150744.db2.gz HTRFGQOHZYGEHA-JTQLQIEISA-N 2 0 230.315 1.659 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@H+](C[C@H]2CCC[NH2+]C2)CC1 ZINC001206296118 968200735 /nfs/dbraw/zinc/20/07/35/968200735.db2.gz PPRYKLNQMDWJFV-KBPBESRZSA-N 3 0 239.407 1.437 20 0 BDADRP CC[N@@H+]1CCC[C@@H](OCCC[NH+](C)C)C1 ZINC001206294712 968201884 /nfs/dbraw/zinc/20/18/84/968201884.db2.gz BBHYZRFDJKAJLR-GFCCVEGCSA-N 2 0 214.353 1.439 20 0 BDADRP Cc1n[nH]cc1C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206303589 968209611 /nfs/dbraw/zinc/20/96/11/968209611.db2.gz DHEYFVUQQLJIIV-CYBMUJFWSA-N 2 0 236.363 1.669 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2cnccn2)CC1 ZINC001206305418 968214613 /nfs/dbraw/zinc/21/46/13/968214613.db2.gz YVLFTFLZZPTSPV-ZDUSSCGKSA-N 2 0 234.347 1.428 20 0 BDADRP C[C@@H]1CN(Cc2ccc3c(c2)CC[NH2+]C3)CC[NH2+]1 ZINC001206389778 968275054 /nfs/dbraw/zinc/27/50/54/968275054.db2.gz SYNIGXZOXLMVSV-GFCCVEGCSA-N 2 0 245.370 1.126 20 0 BDADRP C[NH+]1CCC(C)(CN2C[C@H](F)C[C@H]([NH3+])C2)CC1 ZINC001206406362 968281581 /nfs/dbraw/zinc/28/15/81/968281581.db2.gz XRHKMFCQDFSCSF-NEPJUHHUSA-N 2 0 243.370 1.089 20 0 BDADRP CC1(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CCCCC1 ZINC001206512635 968346190 /nfs/dbraw/zinc/34/61/90/968346190.db2.gz RZLSBVLYGNHZMW-RYUDHWBXSA-N 2 0 226.364 1.208 20 0 BDADRP [NH3+]C[C@H]1C[N@H+](Cc2coc3ccccc23)C[C@@H]1O ZINC001206524968 968355072 /nfs/dbraw/zinc/35/50/72/968355072.db2.gz DFULPMCVTCUHPN-GWCFXTLKSA-N 2 0 246.310 1.184 20 0 BDADRP C[C@@]1(C[NH3+])CCCCN(C[C@@H]2CCCC[NH2+]2)C1 ZINC001206541797 968365353 /nfs/dbraw/zinc/36/53/53/968365353.db2.gz KPVDKDIUBKSSHL-KBPBESRZSA-N 2 0 239.407 1.579 20 0 BDADRP COC(=O)[C@@H](C)C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206541955 968369093 /nfs/dbraw/zinc/36/90/93/968369093.db2.gz OGPFPCFPXOGRAC-AAEUAGOBSA-N 2 0 242.363 1.246 20 0 BDADRP [NH3+]C[C@H]1CCCC[N@H+](C[C@@H]2CCC=CO2)C1 ZINC001206607258 968414626 /nfs/dbraw/zinc/41/46/26/968414626.db2.gz YRUCPCFPFTYVLN-OLZOCXBDSA-N 2 0 224.348 1.740 20 0 BDADRP [NH3+]C[C@@H]1CCCC[N@H+](Cc2ccc(=O)[nH]c2)C1 ZINC001206616407 968420740 /nfs/dbraw/zinc/42/07/40/968420740.db2.gz NSZLTXAFHXAERR-NSHDSACASA-N 2 0 235.331 1.348 20 0 BDADRP CC[NH+](CC)[C@H]1CC[C@H]([NH2+]C[C@H](C)O)CC1 ZINC001251978311 968421364 /nfs/dbraw/zinc/42/13/64/968421364.db2.gz RCSQHROKTNGZBA-AVGNSLFASA-N 2 0 228.380 1.610 20 0 BDADRP C[C@H]([NH3+])CN1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001206749800 968454761 /nfs/dbraw/zinc/45/47/61/968454761.db2.gz NNTHPBWGCJNXJN-ZDUSSCGKSA-N 3 0 247.386 1.326 20 0 BDADRP CCCC[C@@H](O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC001252090518 968512941 /nfs/dbraw/zinc/51/29/41/968512941.db2.gz LHJCSGGTTIEHDY-CQSZACIVSA-N 2 0 242.407 1.955 20 0 BDADRP CCCC[C@@H](O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC001252092174 968513544 /nfs/dbraw/zinc/51/35/44/968513544.db2.gz YAKRKYRQIJEXBV-CQSZACIVSA-N 2 0 242.407 1.811 20 0 BDADRP CCCC[C@H](O)C[NH+]1C[C@@H]2C[NH+](CC)C[C@H]2C1 ZINC001252096456 968579606 /nfs/dbraw/zinc/57/96/06/968579606.db2.gz CCGDDXIOIIEQIY-IHRRRGAJSA-N 2 0 240.391 1.421 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+](Cc1cc[nH]c(=O)c1)CC2 ZINC001207123478 968645169 /nfs/dbraw/zinc/64/51/69/968645169.db2.gz OXLBUVBZOVMFDU-UHFFFAOYSA-N 2 0 247.342 1.315 20 0 BDADRP COC(=O)[C@H]1CC[N@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207279995 968700877 /nfs/dbraw/zinc/70/08/77/968700877.db2.gz QQIAYBXHTZEIHA-NSHDSACASA-N 2 0 242.363 1.069 20 0 BDADRP C[C@H]1C[N@H+](CC(C)(C)C[NH+](C)C)CC[C@@H]1O ZINC001207276299 968712514 /nfs/dbraw/zinc/71/25/14/968712514.db2.gz VCHNPHOWKPYTID-RYUDHWBXSA-N 2 0 228.380 1.277 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)CC1 ZINC001207399390 968752171 /nfs/dbraw/zinc/75/21/71/968752171.db2.gz LPQZQEIRCSPADC-XYYAHUGASA-N 2 0 226.339 1.476 20 0 BDADRP CC(C)OC1C[NH+](CC2CC[NH2+]CC2)C1 ZINC001207440639 968773666 /nfs/dbraw/zinc/77/36/66/968773666.db2.gz ACEAIPTXNAICIP-UHFFFAOYSA-N 2 0 212.337 1.095 20 0 BDADRP CN1CCC[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@@H]21 ZINC001207470374 968788534 /nfs/dbraw/zinc/78/85/34/968788534.db2.gz QSVWENUIHJXAFM-MCIONIFRSA-N 2 0 238.375 1.439 20 0 BDADRP CC[C@@H]1COCC[N@@H+]1CCC1CC[NH+](C)CC1 ZINC001207486569 968797333 /nfs/dbraw/zinc/79/73/33/968797333.db2.gz KMXVXGCBYMZJDR-CQSZACIVSA-N 2 0 240.391 1.829 20 0 BDADRP C[N@H+](CCC1CC[NH+](C)CC1)C1COC1 ZINC001207483605 968798517 /nfs/dbraw/zinc/79/85/17/968798517.db2.gz GGYKRKHJPVLPDX-UHFFFAOYSA-N 2 0 212.337 1.049 20 0 BDADRP CN(CCC[NH+](C)C)C[C@@H]1CCCCO1 ZINC000336642852 968799124 /nfs/dbraw/zinc/79/91/24/968799124.db2.gz BAGNBQIOVAHXNZ-LBPRGKRZSA-N 2 0 214.353 1.439 20 0 BDADRP COC[C@@H]1CC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000829276039 968829174 /nfs/dbraw/zinc/82/91/74/968829174.db2.gz RUPCYTZOKCPZEY-QWHCGFSZSA-N 2 0 226.364 1.344 20 0 BDADRP Cc1nc(N(C)C)cc(N[C@H]2CCC[C@@H]([NH3+])C2)[nH+]1 ZINC001154977081 968829608 /nfs/dbraw/zinc/82/96/08/968829608.db2.gz MSYOQEOMOKVPJY-MNOVXSKESA-N 2 0 249.362 1.533 20 0 BDADRP Nc1cc[nH+]c(N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC001154978892 968837073 /nfs/dbraw/zinc/83/70/73/968837073.db2.gz VLQJFNFZBZFAKW-SCZZXKLOSA-N 2 0 206.293 1.346 20 0 BDADRP CCC[N@H+](CCC[NH+](C)C)C[C@@H]1CCCO1 ZINC001207894697 968920705 /nfs/dbraw/zinc/92/07/05/968920705.db2.gz UKNXQSPPQLQSKH-ZDUSSCGKSA-N 2 0 228.380 1.829 20 0 BDADRP C[NH+]1CCC(C)(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)CC1 ZINC001208107745 969002126 /nfs/dbraw/zinc/00/21/26/969002126.db2.gz KBCHBHWSNLUSFW-NEPJUHHUSA-N 2 0 244.354 1.123 20 0 BDADRP CC[N@H+](CC1(C)CC[NH+](C)CC1)C1COC1 ZINC001208114591 969009019 /nfs/dbraw/zinc/00/90/19/969009019.db2.gz ZGRSMFNHPQHEGN-UHFFFAOYSA-N 2 0 226.364 1.439 20 0 BDADRP CC[NH+](CC)C[C@@H](O)C[NH2+][C@H]1CC[C@@H](F)C1 ZINC001253202551 969105407 /nfs/dbraw/zinc/10/54/07/969105407.db2.gz KAZYSMWEIXXJSP-WOPDTQHZSA-N 2 0 232.343 1.169 20 0 BDADRP Cc1nc(C)c(CN2CC3(C2)CC[N@@H+](C)C3)[nH]1 ZINC001276566688 969132113 /nfs/dbraw/zinc/13/21/13/969132113.db2.gz VPPSUXUGYWGZLQ-UHFFFAOYSA-N 2 0 234.347 1.164 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CCOCC23CC3)CC1 ZINC001208602145 969155912 /nfs/dbraw/zinc/15/59/12/969155912.db2.gz ZBEGAQIVVKOMHV-UHFFFAOYSA-N 2 0 238.375 1.583 20 0 BDADRP CC[NH+]1CCC(C[N@H+](C)Cc2cncnc2)CC1 ZINC001208602862 969157237 /nfs/dbraw/zinc/15/72/37/969157237.db2.gz PMJIFDWDNYFCKZ-UHFFFAOYSA-N 2 0 248.374 1.640 20 0 BDADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@@H]1C[C@@H]1C1CC1 ZINC001253412428 969165998 /nfs/dbraw/zinc/16/59/98/969165998.db2.gz HYFCWKXFEPNMMH-QJPTWQEYSA-N 2 0 226.364 1.124 20 0 BDADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@H]1CC=CCC1 ZINC001253410662 969167248 /nfs/dbraw/zinc/16/72/48/969167248.db2.gz OVDWULFWOCHDER-RYUDHWBXSA-N 2 0 226.364 1.434 20 0 BDADRP COC[C@@H]1CC[N@@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208616149 969171923 /nfs/dbraw/zinc/17/19/23/969171923.db2.gz ZIYVHUSSLWWNIP-RYUDHWBXSA-N 2 0 212.337 1.049 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCC2(C1)CCOCC2 ZINC000389372785 969202708 /nfs/dbraw/zinc/20/27/08/969202708.db2.gz MUMQGRPRSXCWNV-UHFFFAOYSA-N 2 0 212.337 1.228 20 0 BDADRP CCCCC[C@H](O)C[NH2+]C[C@@H]1CC[N@H+](C)C1 ZINC001253547211 969219915 /nfs/dbraw/zinc/21/99/15/969219915.db2.gz FQVUGPZURWGSAY-STQMWFEESA-N 2 0 228.380 1.469 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+](C[C@H]1CCC=CO1)CC2 ZINC001208883354 969269057 /nfs/dbraw/zinc/26/90/57/969269057.db2.gz USSABGUYTNPTRV-CYBMUJFWSA-N 2 0 236.359 1.707 20 0 BDADRP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc[nH]c(=O)c1 ZINC001276614891 969348843 /nfs/dbraw/zinc/34/88/43/969348843.db2.gz OSQMOHHHXVLRBX-YHWZYXNKSA-N 2 0 247.342 1.502 20 0 BDADRP C[NH+](C)CCC[N@H+](C)CCCc1ccncc1 ZINC001209180614 969370799 /nfs/dbraw/zinc/37/07/99/969370799.db2.gz DCFXEYFXXNYODJ-UHFFFAOYSA-N 2 0 235.375 1.898 20 0 BDADRP CSCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169092734 969385187 /nfs/dbraw/zinc/38/51/87/969385187.db2.gz CMPKLBDZYZWXBJ-RTCCRHLQSA-N 2 0 214.378 1.564 20 0 BDADRP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](NC[C@@H]1CC[N@@H+](C)C1)C2 ZINC001169095742 969385874 /nfs/dbraw/zinc/38/58/74/969385874.db2.gz SKOIKEPDOLOTMF-FQUUOJAGSA-N 3 0 237.391 1.153 20 0 BDADRP C[C@H](C[NH+](C)C)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169096154 969387525 /nfs/dbraw/zinc/38/75/25/969387525.db2.gz VAEVIKBARYCQOI-LPWJVIDDSA-N 2 0 225.380 1.151 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@@H](O)CC1)C2 ZINC001169097520 969391102 /nfs/dbraw/zinc/39/11/02/969391102.db2.gz AYCVRPATHSXXSV-KLLCGCCRSA-N 2 0 238.375 1.505 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1C[C@@H](F)C1)C2 ZINC001169098630 969393177 /nfs/dbraw/zinc/39/31/77/969393177.db2.gz KEAUYRUCIFTINA-ZGIVBDMPSA-N 2 0 212.312 1.702 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@H]1CCCO1)C2 ZINC001169077930 969395356 /nfs/dbraw/zinc/39/53/56/969395356.db2.gz BXNOHEOGCSROBX-RVMXOQNASA-N 2 0 224.348 1.380 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(C)CCOCC1)C2 ZINC001169080425 969402866 /nfs/dbraw/zinc/40/28/66/969402866.db2.gz NGMVZTNUAKPDRP-XYYAHUGASA-N 2 0 238.375 1.770 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC(C)(C)CO)C2 ZINC001169081552 969403143 /nfs/dbraw/zinc/40/31/43/969403143.db2.gz SUQRWIABARGRIP-CNDDSTCGSA-N 2 0 226.364 1.220 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H]1CC[C@H](O)C1)C2 ZINC001169079793 969404758 /nfs/dbraw/zinc/40/47/58/969404758.db2.gz LPKAGGYWTNQOSU-HPCHECBXSA-N 2 0 238.375 1.362 20 0 BDADRP CCOCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169081336 969405570 /nfs/dbraw/zinc/40/55/70/969405570.db2.gz RLYQDPCDGZQFDB-CLLJXQQHSA-N 2 0 226.364 1.628 20 0 BDADRP CC(C)[C@@H](O)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001253785389 969406868 /nfs/dbraw/zinc/40/68/68/969406868.db2.gz UQGVZXMFVIYDAB-FQUUOJAGSA-N 2 0 240.391 1.608 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1cnoc1)C2 ZINC001169116377 969412760 /nfs/dbraw/zinc/41/27/60/969412760.db2.gz QASQXWCKEJFESQ-XYYAHUGASA-N 2 0 235.331 1.432 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@]1(C)CCOC1)C2 ZINC001169118277 969414427 /nfs/dbraw/zinc/41/44/27/969414427.db2.gz GOSPBEKEPWVOTD-CRWXNKLISA-N 2 0 238.375 1.628 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@H](CO)C1)C2 ZINC001169122761 969419339 /nfs/dbraw/zinc/41/93/39/969419339.db2.gz CYCMYMKBEYHOIX-YIYPIFLZSA-N 2 0 238.375 1.316 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@H](F)[C@H](O)C1)C2 ZINC001169126828 969431646 /nfs/dbraw/zinc/43/16/46/969431646.db2.gz XXWBAOSZXDVMSB-KSSYENDESA-N 2 0 242.338 1.016 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@H](F)[C@@H](O)C1)C2 ZINC001169126834 969432879 /nfs/dbraw/zinc/43/28/79/969432879.db2.gz XXWBAOSZXDVMSB-SJHCENCUSA-N 2 0 242.338 1.016 20 0 BDADRP CC[C@@H]1COCCN1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169142611 969452209 /nfs/dbraw/zinc/45/22/09/969452209.db2.gz DLISBCALWCVGQV-YIYPIFLZSA-N 2 0 238.375 1.722 20 0 BDADRP C[C@@H]1C[C@@H](O)CC[N@@H+]1[C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169142174 969452536 /nfs/dbraw/zinc/45/25/36/969452536.db2.gz AJBVOQUIMZROFI-DGTMBMJNSA-N 2 0 238.375 1.457 20 0 BDADRP CCCC[C@H](CO)[NH2+]C1CCN(CC)CC1 ZINC001169224201 969492443 /nfs/dbraw/zinc/49/24/43/969492443.db2.gz COVXWEAKFUNJRX-CYBMUJFWSA-N 2 0 228.380 1.611 20 0 BDADRP CC[NH+]1CCC(N(CC[NH3+])c2ccccn2)CC1 ZINC001169230799 969501924 /nfs/dbraw/zinc/50/19/24/969501924.db2.gz ITWDKYIJHWHDIW-UHFFFAOYSA-N 2 0 248.374 1.331 20 0 BDADRP C[C@@H]1C[C@@H]1C[N@@H+]1C[C@H]2CCCN(C)[C@@H]2C1 ZINC001209433421 969502147 /nfs/dbraw/zinc/50/21/47/969502147.db2.gz UCGVEJVQCTVXIV-FDYHWXHSSA-N 2 0 208.349 1.668 20 0 BDADRP CC[NH+]1CCC(N[C@]2(C)CCC[N@H+](C)C2)CC1 ZINC001169241199 969528268 /nfs/dbraw/zinc/52/82/68/969528268.db2.gz JOVKGQWRQMCPLT-CQSZACIVSA-N 2 0 239.407 1.545 20 0 BDADRP CC[NH+]1CCC(N2CC[C@H]([NH+](C)C)C2)CC1 ZINC001169244199 969528728 /nfs/dbraw/zinc/52/87/28/969528728.db2.gz HNRYHHVVGBYQGR-ZDUSSCGKSA-N 2 0 225.380 1.107 20 0 BDADRP CC[NH+]1CCC(N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001169255202 969544379 /nfs/dbraw/zinc/54/43/79/969544379.db2.gz NOXCQLCIDCDCMA-AWEZNQCLSA-N 2 0 239.407 1.497 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1c[nH+]ccc1N ZINC001209724407 969582337 /nfs/dbraw/zinc/58/23/37/969582337.db2.gz ALAGPLCKEZWHDK-WDEREUQCSA-N 2 0 234.347 1.019 20 0 BDADRP C[NH+](C)C[C@@H]1CCCN1Cc1c[nH+]ccc1N ZINC001209729967 969588559 /nfs/dbraw/zinc/58/85/59/969588559.db2.gz CJOFGTIJRXDQFS-LBPRGKRZSA-N 2 0 234.347 1.020 20 0 BDADRP C[N@H+](C1CC1)[C@@H]1CCN(Cc2c[nH+]ccc2N)C1 ZINC001209732991 969594085 /nfs/dbraw/zinc/59/40/85/969594085.db2.gz OQJZZVZVJMCVCS-CYBMUJFWSA-N 2 0 246.358 1.163 20 0 BDADRP Nc1cc[nH+]cc1CN1CC([NH+]2CCCCC2)C1 ZINC001209731920 969596520 /nfs/dbraw/zinc/59/65/20/969596520.db2.gz VKEQZUHULDCXHG-UHFFFAOYSA-N 2 0 246.358 1.164 20 0 BDADRP C[N@@H+]1CCN(Cc2c[nH+]ccc2N)CC1(C)C ZINC001209736841 969599932 /nfs/dbraw/zinc/59/99/32/969599932.db2.gz JADUJIYAZNNOGL-UHFFFAOYSA-N 2 0 234.347 1.020 20 0 BDADRP Cc1cnc(CC[NH3+])n1[C@H]1CCC[N@@H+](C)CC1 ZINC001254499830 969648648 /nfs/dbraw/zinc/64/86/48/969648648.db2.gz BVGGIMRHZSIJSK-LBPRGKRZSA-N 2 0 236.363 1.350 20 0 BDADRP C[N@@H+]1CCC[C@H](n2ccc(C[NH3+])cc2=N)CC1 ZINC001254501820 969666817 /nfs/dbraw/zinc/66/68/17/969666817.db2.gz YMZCEHBPNPPPBT-LBPRGKRZSA-N 2 0 234.347 1.083 20 0 BDADRP C[N@@H+]1CCC[C@@H](N2CC[NH+](C3CC3)CC2)CC1 ZINC001254517270 969698736 /nfs/dbraw/zinc/69/87/36/969698736.db2.gz SUGUAXSWGXILPA-CYBMUJFWSA-N 2 0 237.391 1.251 20 0 BDADRP C[C@@H]1CN([C@@H]2CCC[NH+](C)CC2)CC[N@@H+]1C ZINC001254527507 969717330 /nfs/dbraw/zinc/71/73/30/969717330.db2.gz YSDPMVDUFYZQEU-CHWSQXEVSA-N 2 0 225.380 1.107 20 0 BDADRP C[C@H]([NH3+])c1nccn1[C@H]1CC2CC[NH+](CC2)C1 ZINC001254832949 969795463 /nfs/dbraw/zinc/79/54/63/969795463.db2.gz KWRHMTXZONCQAJ-JQWIXIFHSA-N 2 0 234.347 1.560 20 0 BDADRP [NH3+][C@H]1CCC[C@@H](N[C@@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254833270 969796822 /nfs/dbraw/zinc/79/68/22/969796822.db2.gz OIMILGLZHUHYOW-BFHYXJOUSA-N 2 0 237.391 1.330 20 0 BDADRP [NH3+]CCc1ccn([C@H]2CC3CC[NH+](CC3)C2)n1 ZINC001254838592 969800198 /nfs/dbraw/zinc/80/01/98/969800198.db2.gz GKSKLQHFQMWMLE-ZDUSSCGKSA-N 2 0 234.347 1.041 20 0 BDADRP C1C[NH+]2CCC1C[C@@H](N1CC[NH+]3CCC1CC3)C2 ZINC001254863379 969814112 /nfs/dbraw/zinc/81/41/12/969814112.db2.gz DPKUSKHGDFGNCQ-OAHLLOKOSA-N 2 0 249.402 1.251 20 0 BDADRP [NH3+]Cc1ccn(-c2ccc(C3([NH3+])CC3)cc2)c1 ZINC001169726621 969820343 /nfs/dbraw/zinc/82/03/43/969820343.db2.gz WSFAHLAETHYUFQ-UHFFFAOYSA-N 2 0 227.311 1.884 20 0 BDADRP C[NH+](C)CCC(C)(C)Nc1cccc(C[NH3+])n1 ZINC001169717969 969832904 /nfs/dbraw/zinc/83/29/04/969832904.db2.gz LFWLDQRXYUAXST-UHFFFAOYSA-N 2 0 236.363 1.683 20 0 BDADRP C[C@H](C[NH3+])C[N@H+](C)[C@H]1CCCC2(C1)OCCO2 ZINC001169921718 969886928 /nfs/dbraw/zinc/88/69/28/969886928.db2.gz ATRQRKPAPVUERE-NEPJUHHUSA-N 2 0 242.363 1.199 20 0 BDADRP C[C@@H]1CCN(CC2(C)CC[NH2+]CC2)CC[NH2+]1 ZINC001210474723 969899182 /nfs/dbraw/zinc/89/91/82/969899182.db2.gz IKYPDLQEWNPWGY-GFCCVEGCSA-N 2 0 225.380 1.060 20 0 BDADRP C([NH2+]C1CCSCC1)C12CC[NH+](CC1)CC2 ZINC001255083551 969915282 /nfs/dbraw/zinc/91/52/82/969915282.db2.gz YICZTDAWEFABFY-UHFFFAOYSA-N 2 0 240.416 1.958 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCSC3)C2)C1 ZINC001255291722 970051899 /nfs/dbraw/zinc/05/18/99/970051899.db2.gz YCTUPOAODLFPAV-VXGBXAGGSA-N 2 0 226.389 1.520 20 0 BDADRP C[NH+]1CCC2(C[NH+]([C@@H]3CCSC3)C2)CC1 ZINC001255294435 970053474 /nfs/dbraw/zinc/05/34/74/970053474.db2.gz OBBQZMUKUHVXGD-LLVKDONJSA-N 2 0 226.389 1.520 20 0 BDADRP CC[NH+]1C[C@@H]2C[NH+]([C@@H]3CCSC3)C[C@H]2C1 ZINC001255296265 970060678 /nfs/dbraw/zinc/06/06/78/970060678.db2.gz RBTPXSNBSMRHDI-IJLUTSLNSA-N 2 0 226.389 1.375 20 0 BDADRP CN(c1c[nH+]cc2cc[nH]c21)C(C)(C)C[NH3+] ZINC001170058921 970107795 /nfs/dbraw/zinc/10/77/95/970107795.db2.gz IGBZLYDMIKJTDC-UHFFFAOYSA-N 2 0 218.304 1.736 20 0 BDADRP C[N@@H+]1CC[C@H](n2c3ccccc3nc2C[NH3+])C1 ZINC001255414527 970134911 /nfs/dbraw/zinc/13/49/11/970134911.db2.gz XPDRGBXXTCVHBA-JTQLQIEISA-N 2 0 230.315 1.372 20 0 BDADRP CC(C)N([C@H]1CC[N@H+](C)C1)C(C)(C)C[NH3+] ZINC001255428493 970154330 /nfs/dbraw/zinc/15/43/30/970154330.db2.gz YOAYZPLWLHAFLO-NSHDSACASA-N 2 0 213.369 1.138 20 0 BDADRP CN1CC[C@H]2[C@@H]1CC[N@@H+]2CC1CC[NH+](C)CC1 ZINC001276695349 970162169 /nfs/dbraw/zinc/16/21/69/970162169.db2.gz AEBRYAPYRFOOCB-KBPBESRZSA-N 2 0 237.391 1.107 20 0 BDADRP C[NH2+]CCc1c(C)nn([C@@H]2CC[N@H+](C)C2)c1C ZINC001255438473 970169430 /nfs/dbraw/zinc/16/94/30/970169430.db2.gz MOVQPLJYMGDZIP-GFCCVEGCSA-N 2 0 236.363 1.138 20 0 BDADRP CN1CC[C@H]([N@@H+]2CCC3(C2)CC[NH+](C)CC3)C1 ZINC001255438848 970170656 /nfs/dbraw/zinc/17/06/56/970170656.db2.gz PCUJHYSUAUJQDG-ZDUSSCGKSA-N 2 0 237.391 1.108 20 0 BDADRP CN1CCC[C@@H]([NH2+]CCCC[NH+]2CCCC2)C1 ZINC001255468032 970196315 /nfs/dbraw/zinc/19/63/15/970196315.db2.gz OFSPLBKHBORSLO-CQSZACIVSA-N 2 0 239.407 1.546 20 0 BDADRP CN1CCC[C@H]([NH2+]C(C)(C)CC[NH+](C)C)C1 ZINC001255472044 970200995 /nfs/dbraw/zinc/20/09/95/970200995.db2.gz MFTDMLFFTWETSX-LBPRGKRZSA-N 2 0 227.396 1.401 20 0 BDADRP COc1c[nH+]ccc1Nc1cc[nH+]c(C)c1 ZINC001211258316 970206545 /nfs/dbraw/zinc/20/65/45/970206545.db2.gz ZAOBDJBFJCANRR-UHFFFAOYSA-N 2 0 215.256 1.959 20 0 BDADRP C[N@@H+]1CCC[C@@H](n2ccnc2[C@H]2CCC[NH2+]C2)C1 ZINC001255490383 970245492 /nfs/dbraw/zinc/24/54/92/970245492.db2.gz VGCDZLJLVKEJHP-QWHCGFSZSA-N 2 0 248.374 1.617 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](CCO)CC2)C1 ZINC001170100857 970291151 /nfs/dbraw/zinc/29/11/51/970291151.db2.gz MGXIZMBIRMRKNO-TZMCWYRMSA-N 2 0 240.391 1.469 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N1CCC[C@H]1C[NH3+] ZINC001255945299 970578120 /nfs/dbraw/zinc/57/81/20/970578120.db2.gz JMNSOPVFSWXDJP-OLZOCXBDSA-N 2 0 227.396 1.530 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000400433556 970589665 /nfs/dbraw/zinc/58/96/65/970589665.db2.gz LWKMFYRSOSEMJU-LOWVWBTDSA-N 2 0 226.364 1.532 20 0 BDADRP Cc1n[nH]cc1C[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000400434915 970590128 /nfs/dbraw/zinc/59/01/28/970590128.db2.gz MJBUPABXAANBOV-SECBINFHSA-N 2 0 222.336 1.196 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@@H]2CCOC2)CC[C@H]1C[NH3+] ZINC000400565736 970604163 /nfs/dbraw/zinc/60/41/63/970604163.db2.gz NVHIDDVEIKNTEV-UPJWGTAASA-N 2 0 226.364 1.330 20 0 BDADRP CC[C@@H]1C[C@H]([N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CCO1 ZINC001170235520 970611399 /nfs/dbraw/zinc/61/13/99/970611399.db2.gz MZYBPFXTWKDSOJ-XJFOESAGSA-N 2 0 238.375 1.437 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)C1CC[NH2+]CC1 ZINC000400668388 970615211 /nfs/dbraw/zinc/61/52/11/970615211.db2.gz RKFXUOIUTQSEEA-NTZNESFSSA-N 2 0 226.364 1.532 20 0 BDADRP COC[C@H]([NH2+][C@H](C)C1CC[NH2+]CC1)C(C)C ZINC000400736283 970623308 /nfs/dbraw/zinc/62/33/08/970623308.db2.gz RTWNJJHIOQJMEV-YPMHNXCESA-N 2 0 228.380 1.635 20 0 BDADRP CN(CCC[NH+](C)C)C1CC[NH+](C2CC2)CC1 ZINC001256073775 970640671 /nfs/dbraw/zinc/64/06/71/970640671.db2.gz YTQKBCUQUMKALE-UHFFFAOYSA-N 2 0 239.407 1.497 20 0 BDADRP COc1cccc(C[C@H](C)[NH2+]C[C@H](C)C[NH3+])c1 ZINC001256152958 970675072 /nfs/dbraw/zinc/67/50/72/970675072.db2.gz FUSVWAGCZLXDBL-NEPJUHHUSA-N 2 0 236.359 1.811 20 0 BDADRP CCCC[N@H+](CC)CCNC1CC[NH+](C)CC1 ZINC001256194789 970682467 /nfs/dbraw/zinc/68/24/67/970682467.db2.gz OWHVMJRDWTVTBC-UHFFFAOYSA-N 2 0 241.423 1.792 20 0 BDADRP C[NH+]1CCC(Nc2cccc(C[NH3+])c2)CC1 ZINC001256194754 970685145 /nfs/dbraw/zinc/68/51/45/970685145.db2.gz NLTGOOGTNBZKNV-UHFFFAOYSA-N 2 0 219.332 1.651 20 0 BDADRP C[NH+]1CCC([NH+]2CCC3(COC3)CC2)CC1 ZINC001256201538 970694861 /nfs/dbraw/zinc/69/48/61/970694861.db2.gz HHCBNURZSXNEFC-UHFFFAOYSA-N 2 0 224.348 1.193 20 0 BDADRP C[NH+]1CCC(N2CC3(C2)C[C@@H](F)CS3)CC1 ZINC001256208485 970711030 /nfs/dbraw/zinc/71/10/30/970711030.db2.gz JWPATDWYJFNLBN-SNVBAGLBSA-N 2 0 244.379 1.610 20 0 BDADRP CN1CCC([N@H+](C)CCc2cccnc2)CC1 ZINC001256207854 970710967 /nfs/dbraw/zinc/71/09/67/970710967.db2.gz WKJZDXPUYVPMDQ-UHFFFAOYSA-N 2 0 233.359 1.650 20 0 BDADRP CCO[C@H]1CCC[N@@H+](C2CCN(C)CC2)C1 ZINC001256207434 970712394 /nfs/dbraw/zinc/71/23/94/970712394.db2.gz JUNKWHZQLVFZBR-ZDUSSCGKSA-N 2 0 226.364 1.582 20 0 BDADRP C[C@H]1C[N@H+](C2CCN(C)CC2)C2(CC2)C1 ZINC001256211029 970720660 /nfs/dbraw/zinc/72/06/60/970720660.db2.gz QESLHZWKCSUGDA-LLVKDONJSA-N 2 0 208.349 1.955 20 0 BDADRP CC(C)(C)C[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222528576 972547547 /nfs/dbraw/zinc/54/75/47/972547547.db2.gz XLTAZDQBBPDIAQ-UHFFFAOYSA-N 2 0 202.317 1.795 20 0 BDADRP [NH3+]CC1(F)CC[NH+](CCc2ccccc2)CC1 ZINC001222528641 972550229 /nfs/dbraw/zinc/55/02/29/972550229.db2.gz ZRRDJINJAZWHNT-UHFFFAOYSA-N 2 0 236.334 1.992 20 0 BDADRP [NH3+]CC1(F)CC[NH+](Cc2ncccc2O)CC1 ZINC001222539315 972553220 /nfs/dbraw/zinc/55/32/20/972553220.db2.gz WPRLPFNCXHNKJC-UHFFFAOYSA-N 2 0 239.294 1.050 20 0 BDADRP CCn1cncc1C[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222552745 972565855 /nfs/dbraw/zinc/56/58/55/972565855.db2.gz JGDRTVKGEJZHKF-UHFFFAOYSA-N 2 0 240.326 1.166 20 0 BDADRP CC[C@H](CC(C)C)[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246542288 972568196 /nfs/dbraw/zinc/56/81/96/972568196.db2.gz JUBOINHMJSBREZ-KGLIPLIRSA-N 2 0 242.407 1.987 20 0 BDADRP C[C@H]1CC[C@@H](CN)[N@@H+]1C1CCC2(C[NH2+]C2)CC1 ZINC001246545407 972634929 /nfs/dbraw/zinc/63/49/29/972634929.db2.gz KMZBPBKWLQBBLF-AAEUAGOBSA-N 2 0 237.391 1.330 20 0 BDADRP c1nc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n[nH]1 ZINC001327562253 972639612 /nfs/dbraw/zinc/63/96/12/972639612.db2.gz KKIWOSHTZMRBQC-VXGBXAGGSA-N 2 0 249.362 1.016 20 0 BDADRP CC1(C)C[C@H]([N@@H+]2CCC[C@H]([NH3+])CC2)CCO1 ZINC001246547437 972671942 /nfs/dbraw/zinc/67/19/42/972671942.db2.gz PQABBCIVICXZBW-NWDGAFQWSA-N 2 0 226.364 1.757 20 0 BDADRP C[NH2+]C[C@@H]1CCCN([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246549886 972700206 /nfs/dbraw/zinc/70/02/06/972700206.db2.gz KXSPNYLKJLWUGK-AGIUHOORSA-N 2 0 225.380 1.058 20 0 BDADRP [NH3+]C[C@@]1(F)CCC[N@@H+]([C@@H]2CCCOCC2)CC1 ZINC001246551778 972730633 /nfs/dbraw/zinc/73/06/33/972730633.db2.gz RCUMGIMYOBFREG-CHWSQXEVSA-N 2 0 244.354 1.708 20 0 BDADRP C[C@]1([NH3+])CCC[N@@H+]([C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001246553897 972743798 /nfs/dbraw/zinc/74/37/98/972743798.db2.gz TVHNJENLXVBIGG-RNJOBUHISA-N 2 0 208.349 1.988 20 0 BDADRP C[C@@H]1CC[C@H](C[NH3+])N([C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246553553 972750579 /nfs/dbraw/zinc/75/05/79/972750579.db2.gz BDIGKGYSBQTSRC-YVECIDJPSA-N 2 0 225.380 1.186 20 0 BDADRP CC[C@@H]1C[C@H](N2CC[NH2+]CC[C@H]2C)CC[NH2+]1 ZINC001246553595 972751321 /nfs/dbraw/zinc/75/13/21/972751321.db2.gz TUUPVXBAIJDCNX-JHJVBQTASA-N 2 0 225.380 1.201 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@H](COC)CC(C)C ZINC001327838378 972754077 /nfs/dbraw/zinc/75/40/77/972754077.db2.gz GHWYAIGLIIKIPT-NEPJUHHUSA-N 2 0 216.369 1.635 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH3+])N([C@@H]2CCCC[NH2+]C2)C1 ZINC001246557610 972771737 /nfs/dbraw/zinc/77/17/37/972771737.db2.gz MRHQIGADZYIBBE-FRRDWIJNSA-N 2 0 225.380 1.188 20 0 BDADRP C[NH2+]C1CCC([N@@H+]2C[C@H](C)CC[C@H]2CN)CC1 ZINC001246561392 972791927 /nfs/dbraw/zinc/79/19/27/972791927.db2.gz WWYHEWPTJCMDFQ-RYSNWHEDSA-N 2 0 239.407 1.576 20 0 BDADRP CC(C)([NH3+])CNc1ccccc1CC[NH3+] ZINC001171193246 972845610 /nfs/dbraw/zinc/84/56/10/972845610.db2.gz UMFFEOGJQSGSHD-UHFFFAOYSA-N 2 0 207.321 1.337 20 0 BDADRP CC[C@@H]1CC(N2CC[NH2+][C@@H](C)C2)C[C@@H](CC)[NH2+]1 ZINC001246573252 972862050 /nfs/dbraw/zinc/86/20/50/972862050.db2.gz IIVSRQIDSBOQER-YNEHKIRRSA-N 2 0 239.407 1.589 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@@H+]([C@H]2CCCOC2)CC1 ZINC001246577904 972895058 /nfs/dbraw/zinc/89/50/58/972895058.db2.gz QRLGLQOWLTVIHR-STQMWFEESA-N 2 0 226.364 1.616 20 0 BDADRP C[NH2+]C1CCC([N@@H+]2CCC(F)(F)[C@@H](N)C2)CC1 ZINC001246582904 972944725 /nfs/dbraw/zinc/94/47/25/972944725.db2.gz OSVDGHIDCDXHQX-ILDUYXDCSA-N 2 0 247.333 1.185 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@@H+]([C@H]2CCC[NH2+]CC2)CC1 ZINC001246581080 972945364 /nfs/dbraw/zinc/94/53/64/972945364.db2.gz XQYLRRORUJOBMW-UONOGXRCSA-N 3 0 239.407 1.579 20 0 BDADRP C[N@@H+]1CCC[C@H](N2CC[C@@H](F)[C@@H]([NH3+])CC2)CC1 ZINC001246588512 972985792 /nfs/dbraw/zinc/98/57/92/972985792.db2.gz QJLNWZGGLYYZQX-XQQFMLRXSA-N 2 0 243.370 1.232 20 0 BDADRP C[C@H]1C[C@H]([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)C[C@@H](C)C1 ZINC001246588364 972986635 /nfs/dbraw/zinc/98/66/35/972986635.db2.gz YZYVOICBZIUTPA-OFTGVCEQSA-N 2 0 226.364 1.063 20 0 BDADRP [NH3+]C[C@@H]1CCCCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246592580 972998663 /nfs/dbraw/zinc/99/86/63/972998663.db2.gz KOEIVQJJRLZAJY-ICIURTGMSA-N 2 0 237.391 1.330 20 0 BDADRP C[C@H]1C[C@H](N2CCC3(CC[NH2+]C3)CC2)CC[NH2+]1 ZINC001246640202 973059757 /nfs/dbraw/zinc/05/97/57/973059757.db2.gz BXMZQWLYNBFRAI-QWHCGFSZSA-N 2 0 237.391 1.202 20 0 BDADRP C1[C@H]2CCC[NH2+][C@H]2CN1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246655147 973068549 /nfs/dbraw/zinc/06/85/49/973068549.db2.gz GIEGCWGLORWBSF-QMIVOQANSA-N 2 0 249.402 1.343 20 0 BDADRP C[N@H+](CC(C)(C)C)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246799855 973100101 /nfs/dbraw/zinc/10/01/01/973100101.db2.gz PBIXWDHQYFBUTH-NSHDSACASA-N 2 0 225.380 1.058 20 0 BDADRP CC[C@@H]1CC(N2C[C@@H]([NH3+])[C@@H](F)C2)C[C@@H](CC)[NH2+]1 ZINC001246821615 973124304 /nfs/dbraw/zinc/12/43/04/973124304.db2.gz SYSWMJVBUCOKQH-VCDKRKBESA-N 2 0 243.370 1.277 20 0 BDADRP C[NH2+]Cc1c(C)nn([C@@H]2CC[C@@H](C)[NH2+]C2)c1C ZINC001246845850 973150926 /nfs/dbraw/zinc/15/09/26/973150926.db2.gz MLIFOMGPKNIPPW-BXKDBHETSA-N 2 0 236.363 1.532 20 0 BDADRP C[C@@H]1CC[C@H](n2ccnc2[C@@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001246848851 973153053 /nfs/dbraw/zinc/15/30/53/973153053.db2.gz OJJGNWSPOOVCHM-UPJWGTAASA-N 2 0 248.374 1.663 20 0 BDADRP [NH3+]Cc1ccccc1CNC(=O)CC1([NH3+])CCC1 ZINC001328581409 973158287 /nfs/dbraw/zinc/15/82/87/973158287.db2.gz OFGWOZOVMBJPSK-UHFFFAOYSA-N 2 0 247.342 1.033 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2C[C@H]3CC[C@@]3([NH3+])C2)CC[NH2+]1 ZINC001246857760 973168445 /nfs/dbraw/zinc/16/84/45/973168445.db2.gz BRJPVOBUMMIXQE-YIYPIFLZSA-N 2 0 237.391 1.186 20 0 BDADRP CN(C[C@@H]1CCC[NH2+]1)[C@@H]1CC2CC[NH+](CC2)C1 ZINC001246889385 973324350 /nfs/dbraw/zinc/32/43/50/973324350.db2.gz PDLOEPMYMXSUMQ-UONOGXRCSA-N 2 0 237.391 1.155 20 0 BDADRP CCC[C@H]1CN([C@H]2CC[NH2+][C@@H](CC)C2)CC[NH2+]1 ZINC001246896936 973348757 /nfs/dbraw/zinc/34/87/57/973348757.db2.gz BVZJNTMNMNACJI-IHRRRGAJSA-N 2 0 239.407 1.591 20 0 BDADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C[C@@H]1CCC[NH2+]C1 ZINC000720891294 973379480 /nfs/dbraw/zinc/37/94/80/973379480.db2.gz DZMJXKMQTVSACY-MGPQQGTHSA-N 2 0 237.391 1.155 20 0 BDADRP CC(C)(C)[C@H]1C[C@H](N2C[C@@H]3C[NH2+][C@@H]3C2)CC[NH2+]1 ZINC001246930185 973579550 /nfs/dbraw/zinc/57/95/50/973579550.db2.gz IJJQUWNYESLKPC-UMSGYPCISA-N 2 0 237.391 1.057 20 0 BDADRP CC[N@H+](C)C1CCN([C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246948977 973683601 /nfs/dbraw/zinc/68/36/01/973683601.db2.gz HFVFKCFIWKGZRN-TZMCWYRMSA-N 2 0 239.407 1.543 20 0 BDADRP CC(C)C[N@H+](C[C@H](C)N)CC1CC[NH+](C)CC1 ZINC001329376965 973719109 /nfs/dbraw/zinc/71/91/09/973719109.db2.gz WESCBBROUGUQCC-ZDUSSCGKSA-N 2 0 241.423 1.633 20 0 BDADRP C[C@H]([NH3+])CN(C)[C@@H]1CSc2ccccc2C1 ZINC001246979486 973733428 /nfs/dbraw/zinc/73/34/28/973733428.db2.gz BEFAUNNDIWYFPW-JQWIXIFHSA-N 2 0 236.384 1.982 20 0 BDADRP C1=C2NCC[N@@H+]([C@@H]3CCC4(C[NH2+]C4)C3)[C@@H]2CCC1 ZINC001246991472 973781809 /nfs/dbraw/zinc/78/18/09/973781809.db2.gz BAVRKVQZCGBKNJ-TZMCWYRMSA-N 2 0 247.386 1.470 20 0 BDADRP C[C@@H]1CC[C@H](N2CC[C@@H]3[NH2+]CCC[C@@H]3C2)C[NH2+]1 ZINC001247014158 973797134 /nfs/dbraw/zinc/79/71/34/973797134.db2.gz JERNTOWANZZBLM-MQYQWHSLSA-N 2 0 237.391 1.201 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](OC[C@@H]2CCCC[NH+]2C)C1 ZINC001224700822 973867859 /nfs/dbraw/zinc/86/78/59/973867859.db2.gz BDPOERWZIGTRHR-KBPBESRZSA-N 2 0 240.391 1.970 20 0 BDADRP CC[NH+]1CCC(OCCC[NH+]2CCCC2)CC1 ZINC001224744490 973905045 /nfs/dbraw/zinc/90/50/45/973905045.db2.gz MNOZLZXONKXMJP-UHFFFAOYSA-N 2 0 240.391 1.973 20 0 BDADRP CC[N@@H+]1CCC[C@H](OCCC[NH+]2CCCC2)C1 ZINC001224745133 973905540 /nfs/dbraw/zinc/90/55/40/973905540.db2.gz XEKLOHHSYGWOLH-AWEZNQCLSA-N 2 0 240.391 1.973 20 0 BDADRP CC[N@@H+]1CC[C@H](OC[C@@H]2CCC[NH+]2C)C1 ZINC001224819935 974003880 /nfs/dbraw/zinc/00/38/80/974003880.db2.gz QZLGPQIRGMXCQJ-RYUDHWBXSA-N 2 0 212.337 1.191 20 0 BDADRP C[C@H](CO)C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171620653 974115477 /nfs/dbraw/zinc/11/54/77/974115477.db2.gz BWLYDWVZALFNCV-NSHDSACASA-N 2 0 242.407 1.856 20 0 BDADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+]C(C)C ZINC001171731894 974142867 /nfs/dbraw/zinc/14/28/67/974142867.db2.gz PVICGFKHPWMCBM-UHFFFAOYSA-N 2 0 243.395 1.223 20 0 BDADRP C[C@H]1C[C@H](N[C@@H]2C[C@H]2[NH3+])C[N@@H+]1Cc1ccccc1 ZINC001171732026 974143738 /nfs/dbraw/zinc/14/37/38/974143738.db2.gz GJOLVGBEXUVFTN-SPWCGHHHSA-N 2 0 245.370 1.339 20 0 BDADRP C[N@@H+]1CC[C@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172098341 974336781 /nfs/dbraw/zinc/33/67/81/974336781.db2.gz CBNXOANEULJXOW-XDQVBPFNSA-N 2 0 237.391 1.295 20 0 BDADRP CCOCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172099316 974340542 /nfs/dbraw/zinc/34/05/42/974340542.db2.gz HEAKSWQCPBISLZ-XYYAHUGASA-N 2 0 226.364 1.628 20 0 BDADRP CCOCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172099311 974340638 /nfs/dbraw/zinc/34/06/38/974340638.db2.gz HEAKSWQCPBISLZ-CLLJXQQHSA-N 2 0 226.364 1.628 20 0 BDADRP C[NH+]1CC2(CN([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)C1 ZINC001172132897 974355762 /nfs/dbraw/zinc/35/57/62/974355762.db2.gz PWKQNCIMJUODRV-WDNDVIMCSA-N 2 0 249.402 1.249 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCF)C2 ZINC001172102642 974359317 /nfs/dbraw/zinc/35/93/17/974359317.db2.gz NZXHJVGFNZDOBN-JGPRNRPPSA-N 2 0 200.301 1.561 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccnnc1)C2 ZINC001172107608 974367460 /nfs/dbraw/zinc/36/74/60/974367460.db2.gz IPZVVRHHXVZPQB-BTTYYORXSA-N 2 0 246.358 1.582 20 0 BDADRP C[C@H](CO)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172104948 974368749 /nfs/dbraw/zinc/36/87/49/974368749.db2.gz GUXOYGLZGFKDEU-RVMXOQNASA-N 2 0 226.364 1.220 20 0 BDADRP CC(=O)OCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172110411 974371298 /nfs/dbraw/zinc/37/12/98/974371298.db2.gz MNRPFPFDTQBXSF-CLLJXQQHSA-N 2 0 240.347 1.154 20 0 BDADRP C[NH+]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172114696 974379223 /nfs/dbraw/zinc/37/92/23/974379223.db2.gz SIIUCMHNGYLTJW-BTTYYORXSA-N 2 0 237.391 1.249 20 0 BDADRP COC1(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)CCC1 ZINC001330638446 974379555 /nfs/dbraw/zinc/37/95/55/974379555.db2.gz GJSJRAKYAFAULY-CYBMUJFWSA-N 2 0 240.391 1.875 20 0 BDADRP COCC[N@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172114298 974383764 /nfs/dbraw/zinc/38/37/64/974383764.db2.gz QBZMWPPKRHCANV-CLLJXQQHSA-N 2 0 226.364 1.580 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@H](O)C1)C2 ZINC001172113548 974386575 /nfs/dbraw/zinc/38/65/75/974386575.db2.gz KFTJJBGTELYBOU-MROQNXINSA-N 2 0 224.348 1.068 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001172224446 974459273 /nfs/dbraw/zinc/45/92/73/974459273.db2.gz PRNIHIVUOSPLQM-PBYDBYKOSA-N 2 0 224.348 1.556 20 0 BDADRP [NH3+][C@H]1CC[N@H+](Cc2ncccc2O)CC[C@@H]1F ZINC001206163489 974490823 /nfs/dbraw/zinc/49/08/23/974490823.db2.gz CNPPSPRFOBONTI-UWVGGRQHSA-N 2 0 239.294 1.048 20 0 BDADRP CC[C@H](C)OCC[C@@H](C)[NH2+]CCOCC[NH3+] ZINC001172314533 974520714 /nfs/dbraw/zinc/52/07/14/974520714.db2.gz DMGHAHJUMCIXQH-NEPJUHHUSA-N 2 0 232.368 1.145 20 0 BDADRP CC[C@@H](C)OCC[C@@H](C)[NH2+]CCOCC[NH3+] ZINC001172314536 974522536 /nfs/dbraw/zinc/52/25/36/974522536.db2.gz DMGHAHJUMCIXQH-VXGBXAGGSA-N 2 0 232.368 1.145 20 0 BDADRP CCOCC[C@H](C)[NH2+][C@H]1C[C@H]2CC[N@H+](C1)[C@@H]2C ZINC001172419172 974690896 /nfs/dbraw/zinc/69/08/96/974690896.db2.gz IXLXIPKRYOAKRL-DGAVXFQQSA-N 2 0 240.391 1.874 20 0 BDADRP C[NH2+][C@H](C)CCN[C@H](C)C[C@@H]1CCC[NH2+]1 ZINC001331418835 974712296 /nfs/dbraw/zinc/71/22/96/974712296.db2.gz LELBFFIEWSYEIA-UTUOFQBUSA-N 2 0 213.369 1.105 20 0 BDADRP CC(C)OCC[C@@H](C)[NH2+]C1CC([NH3+])C1 ZINC001172442128 974801510 /nfs/dbraw/zinc/80/15/10/974801510.db2.gz IEKBBJWUFXIFKQ-KPPDAEKUSA-N 2 0 200.326 1.269 20 0 BDADRP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)CC1CCOCC1 ZINC001331823427 974828182 /nfs/dbraw/zinc/82/81/82/974828182.db2.gz WODLICJSKIOHII-RYUDHWBXSA-N 2 0 228.380 1.779 20 0 BDADRP [NH3+][C@@H]1CCN(Cc2ccc(F)cn2)CC[C@@H]1F ZINC001206166015 974867193 /nfs/dbraw/zinc/86/71/93/974867193.db2.gz PWNRAMPARKSJOO-NWDGAFQWSA-N 2 0 241.285 1.482 20 0 BDADRP CC(C)OC(=O)CC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC001172751358 974925419 /nfs/dbraw/zinc/92/54/19/974925419.db2.gz VWJHPWMZPBPAPZ-SDDRHHMPSA-N 2 0 242.363 1.576 20 0 BDADRP CC[N@H+]1C[C@H]2CN(Cc3ccc(O)cc3)C[C@H]2C1 ZINC001204098574 974926882 /nfs/dbraw/zinc/92/68/82/974926882.db2.gz HREFUCBIOVEPSE-OKILXGFUSA-N 2 0 246.354 1.776 20 0 BDADRP CC[NH+](CC)C1CCC([NH2+]C2CC(=O)C2)CC1 ZINC001173102136 975021499 /nfs/dbraw/zinc/02/14/99/975021499.db2.gz STXULVVXPGETDC-UHFFFAOYSA-N 2 0 238.375 1.961 20 0 BDADRP CC[NH+](CC)C1CCC([NH2+]C[C@@H](C)C[NH3+])CC1 ZINC001173107492 975026061 /nfs/dbraw/zinc/02/60/61/975026061.db2.gz UMKIUTUYHLESDL-HSBZDZAISA-N 3 0 241.423 1.824 20 0 BDADRP C([N@@H+]1CCCC2(CC[NH2+]CC2)C1)C12CC(C1)C[NH2+]2 ZINC001332314000 975051677 /nfs/dbraw/zinc/05/16/77/975051677.db2.gz PQQZETKNNROPFF-UHFFFAOYSA-N 2 0 249.402 1.204 20 0 BDADRP C[C@H]1C[C@H]([N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)CCO1 ZINC001173174044 975053375 /nfs/dbraw/zinc/05/33/75/975053375.db2.gz AGCLPAVFCHFLSG-REWJHTLYSA-N 2 0 238.375 1.437 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)CCO1 ZINC001173168607 975061037 /nfs/dbraw/zinc/06/10/37/975061037.db2.gz QCSREBZNIGJZRA-IHRRRGAJSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@]1(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)CC[NH2+]C1 ZINC001332338370 975062605 /nfs/dbraw/zinc/06/26/05/975062605.db2.gz CURGSCINSVJWIA-MCIONIFRSA-N 2 0 238.375 1.487 20 0 BDADRP CCC[NH2+]CC[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC001332402825 975094147 /nfs/dbraw/zinc/09/41/47/975094147.db2.gz SPRGRCNCXHKQBE-MELADBBJSA-N 2 0 240.391 1.781 20 0 BDADRP CC[C@H]1CC[C@H]([NH+]2CCN(CCC[NH3+])CC2)C1 ZINC001173262647 975117410 /nfs/dbraw/zinc/11/74/10/975117410.db2.gz FMLZAQVYVUBLAI-KBPBESRZSA-N 2 0 239.407 1.532 20 0 BDADRP CC[C@@]1(C(=O)NCCCCCC[NH3+])CC[NH2+]C1 ZINC001332450300 975130512 /nfs/dbraw/zinc/13/05/12/975130512.db2.gz NJYCKRIWGPTWBV-CYBMUJFWSA-N 2 0 241.379 1.011 20 0 BDADRP CC[C@@H]1CC[C@@H]([NH2+]CCOCC[NH3+])C1 ZINC001173266908 975133305 /nfs/dbraw/zinc/13/33/05/975133305.db2.gz OOILVMPQXXJOTD-GHMZBOCLSA-N 2 0 200.326 1.130 20 0 BDADRP CCc1ccc(C[C@H](C)[NH2+]C[C@@H](O)C[NH3+])cc1 ZINC001173239250 975166331 /nfs/dbraw/zinc/16/63/31/975166331.db2.gz PCFDDHHBDCUQJZ-FZMZJTMJSA-N 2 0 236.359 1.089 20 0 BDADRP CCSC[C@H](C)[NH+]1CCC(C)([NH3+])CC1 ZINC001173293785 975174705 /nfs/dbraw/zinc/17/47/05/975174705.db2.gz GPAKGCJPSOYOBV-JTQLQIEISA-N 2 0 216.394 1.941 20 0 BDADRP CC[NH+](CC)C[C@@H](O)C[NH2+][C@H]1CC12CCC2 ZINC000721186837 975190782 /nfs/dbraw/zinc/19/07/82/975190782.db2.gz IBHZKLKOVYWJND-RYUDHWBXSA-N 2 0 226.364 1.221 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CN1CC[NH+](C(C)(C)C)CC1 ZINC001332594700 975223706 /nfs/dbraw/zinc/22/37/06/975223706.db2.gz FWEJZKJCKVBVRR-CYBMUJFWSA-N 2 0 239.407 1.497 20 0 BDADRP CCSC[C@@H](C)[NH+]1CCN(CCC[NH3+])CC1 ZINC001173291683 975264060 /nfs/dbraw/zinc/26/40/60/975264060.db2.gz PPEABBCBLAAOMJ-GFCCVEGCSA-N 2 0 245.436 1.094 20 0 BDADRP CCN1CC[C@H]([NH2+]Cc2ccccc2C[NH3+])C1 ZINC001173356019 975310908 /nfs/dbraw/zinc/31/09/08/975310908.db2.gz AQCPQMKYOSGFJX-AWEZNQCLSA-N 2 0 233.359 1.329 20 0 BDADRP CC[N@@H+]1CC[C@@H](Nc2ccc(OC)c(C[NH3+])c2)C1 ZINC001173356499 975316138 /nfs/dbraw/zinc/31/61/38/975316138.db2.gz FETRVZDCYKSWOA-CYBMUJFWSA-N 2 0 249.358 1.660 20 0 BDADRP CC[N@@H+]1CC[C@@H](n2cc3ccc(C[NH3+])cc3n2)C1 ZINC001173356144 975316596 /nfs/dbraw/zinc/31/65/96/975316596.db2.gz BDGCSCLCHYWKRE-CYBMUJFWSA-N 2 0 244.342 1.762 20 0 BDADRP CC[N@@H+]1CC[C@H](N2CCC[NH+]3CCC[C@H]3C2)C1 ZINC001173365930 975344037 /nfs/dbraw/zinc/34/40/37/975344037.db2.gz SGWADYJSFXHAAF-KBPBESRZSA-N 2 0 237.391 1.251 20 0 BDADRP CC[N@@H+]1CC[C@@H](N2C[C@@H](C)[NH+](C)[C@@H](C)C2)C1 ZINC001173371175 975359727 /nfs/dbraw/zinc/35/97/27/975359727.db2.gz KSRMAJISOVJJOE-FRRDWIJNSA-N 2 0 225.380 1.105 20 0 BDADRP CCC1([NH3+])CCN(C(=O)CC[NH2+]C(C)C)CC1 ZINC001333254451 975595425 /nfs/dbraw/zinc/59/54/25/975595425.db2.gz MYPJWNCWSWWZJN-UHFFFAOYSA-N 2 0 241.379 1.104 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2COC[C@H]2C)C1 ZINC001333559073 975850249 /nfs/dbraw/zinc/85/02/49/975850249.db2.gz NHWJKEYMIHFYDL-JHJVBQTASA-N 2 0 226.364 1.343 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+]CC1CC[NH+](C)CC1 ZINC001333670733 975965691 /nfs/dbraw/zinc/96/56/91/975965691.db2.gz LRZRIVZTXVUNOF-WCQYABFASA-N 2 0 228.380 1.325 20 0 BDADRP CC[C@H](C)[C@](C)(O)C[NH2+]CC1CC[NH+](C)CC1 ZINC001333680868 975986904 /nfs/dbraw/zinc/98/69/04/975986904.db2.gz XKQPSAPPUYJLOX-GXTWGEPZSA-N 2 0 242.407 1.715 20 0 BDADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3ccon3)C[C@@H]2C1 ZINC001333891622 976144038 /nfs/dbraw/zinc/14/40/38/976144038.db2.gz MIIIYJYMBBJDKT-MBNYWOFBSA-N 2 0 249.358 1.837 20 0 BDADRP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C2(C)C)C1 ZINC001335252984 976898102 /nfs/dbraw/zinc/89/81/02/976898102.db2.gz QZURPIVDIHFGDF-HBNTYKKESA-N 2 0 212.337 1.284 20 0 BDADRP Cc1n[nH]c(C)c1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001335290442 976934821 /nfs/dbraw/zinc/93/48/21/976934821.db2.gz WUUJDKNPYJNENW-NWDGAFQWSA-N 2 0 234.347 1.068 20 0 BDADRP Cc1cc(NC(=O)C[N@@H+](C)C2CCC2)cc(C)n1 ZINC001335406232 977034288 /nfs/dbraw/zinc/03/42/88/977034288.db2.gz GATTXWKLOPMSLW-UHFFFAOYSA-N 2 0 247.342 1.543 20 0 BDADRP C[N@@H+]1CCCC[C@@H](C[NH2+]C[C@H](O)C2CC2)C1 ZINC001335428039 977049364 /nfs/dbraw/zinc/04/93/64/977049364.db2.gz ATQFONHLUXGEKY-AAEUAGOBSA-N 2 0 226.364 1.079 20 0 BDADRP CCC[NH+]1C[C@@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC000503729598 977149754 /nfs/dbraw/zinc/14/97/54/977149754.db2.gz NQJXCSKSHIXNTO-ZIAGYGMSSA-N 2 0 245.370 1.855 20 0 BDADRP CN(C)c1cc(NC2=CCC[N@H+](C)C2)cc[nH+]1 ZINC001175576085 977577883 /nfs/dbraw/zinc/57/78/83/977577883.db2.gz DNLJPHFABJSYIO-UHFFFAOYSA-N 2 0 232.331 1.779 20 0 BDADRP CO[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC001336261764 977605037 /nfs/dbraw/zinc/60/50/37/977605037.db2.gz IDJYLLOEGULIPM-JHJVBQTASA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]([NH3+])CN1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC001336278557 977614845 /nfs/dbraw/zinc/61/48/45/977614845.db2.gz WBFUOEUHMUTGMW-NEPJUHHUSA-N 2 0 225.380 1.317 20 0 BDADRP C[C@@H]([NH3+])CN1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC001336278564 977615776 /nfs/dbraw/zinc/61/57/76/977615776.db2.gz WBFUOEUHMUTGMW-VXGBXAGGSA-N 2 0 225.380 1.317 20 0 BDADRP COC(C)(C)C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001277584862 977791082 /nfs/dbraw/zinc/79/10/82/977791082.db2.gz TVUAWLZMULRNLH-UHFFFAOYSA-N 2 0 226.364 1.439 20 0 BDADRP OC[C@H]1CCC[N@@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232011494 977841528 /nfs/dbraw/zinc/84/15/28/977841528.db2.gz DNVOJJSFYSMRFB-GFCCVEGCSA-N 2 0 231.299 1.520 20 0 BDADRP C[N@@H+](Cc1cnsc1)CC1CC[NH+](C)CC1 ZINC001232226231 977954723 /nfs/dbraw/zinc/95/47/23/977954723.db2.gz BIHBVURNBDFVOQ-UHFFFAOYSA-N 2 0 239.388 1.917 20 0 BDADRP C[C@H]([NH3+])[C@H](C)C(=O)N(C)C1(C[NH3+])CCCCC1 ZINC001337034652 978135261 /nfs/dbraw/zinc/13/52/61/978135261.db2.gz CGKHWKZGPUGHHR-QWRGUYRKSA-N 2 0 241.379 1.090 20 0 BDADRP C[N@@H+]1CC[C@H]2[C@@H]1CCN2c1cc[nH+]cc1 ZINC001277693014 978207283 /nfs/dbraw/zinc/20/72/83/978207283.db2.gz BKYYXIQLHFVUEY-RYUDHWBXSA-N 2 0 203.289 1.364 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC001206295665 978297679 /nfs/dbraw/zinc/29/76/79/978297679.db2.gz MVGFZMGMTXCDMI-QWHCGFSZSA-N 2 0 226.364 1.616 20 0 BDADRP CC[NH+](CC)C[C@@H](C)OCC[NH+]1CCCC1 ZINC001206303341 978361807 /nfs/dbraw/zinc/36/18/07/978361807.db2.gz ZEDBQSWDJWCSDD-CYBMUJFWSA-N 2 0 228.380 1.829 20 0 BDADRP C(CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C[NH+]1CCCC1 ZINC000328469062 978370249 /nfs/dbraw/zinc/37/02/49/978370249.db2.gz YSRGOYHMATWARP-XPABHHOTSA-N 2 0 249.402 1.058 20 0 BDADRP Cc1cccc([C@@H](O)C[NH2+]CCC[NH+](C)C)c1 ZINC001338425334 978681577 /nfs/dbraw/zinc/68/15/77/978681577.db2.gz YNZMHCFPCRUKLC-AWEZNQCLSA-N 2 0 236.359 1.570 20 0 BDADRP CC(C)(C)[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)C2CC2)C1 ZINC001338491140 978695228 /nfs/dbraw/zinc/69/52/28/978695228.db2.gz FHTXRBVIIAXTDS-AAEUAGOBSA-N 2 0 240.391 1.467 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+](CC(=O)C(C)(C)C)CC2 ZINC001277843955 978813170 /nfs/dbraw/zinc/81/31/70/978813170.db2.gz GKQYUZMCPZZBFF-UHFFFAOYSA-N 2 0 238.375 1.629 20 0 BDADRP CC[C@@H]1CCCC[N@@H+]1CCNc1ccnc(N)n1 ZINC001339577682 978874430 /nfs/dbraw/zinc/87/44/30/978874430.db2.gz GVXXWBAMTKIUHU-LLVKDONJSA-N 2 0 249.362 1.735 20 0 BDADRP C([C@@H]1CCCC[NH2+]1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234993460 978944306 /nfs/dbraw/zinc/94/43/06/978944306.db2.gz NYUGUWONRIGKNL-KBPBESRZSA-N 2 0 237.391 1.204 20 0 BDADRP C(C1CC2(C1)CC[NH2+]CC2)N1CCCC12C[NH2+]C2 ZINC001235094024 978973652 /nfs/dbraw/zinc/97/36/52/978973652.db2.gz GEWWZLZLVMMMGY-UHFFFAOYSA-N 2 0 249.402 1.204 20 0 BDADRP C(CN1CCCCC12C[NH2+]C2)[C@@H]1CCCC[NH2+]1 ZINC001235104640 978975910 /nfs/dbraw/zinc/97/59/10/978975910.db2.gz VIFQWWVFFSEUSY-ZDUSSCGKSA-N 2 0 237.391 1.347 20 0 BDADRP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001235209816 978996384 /nfs/dbraw/zinc/99/63/84/978996384.db2.gz RAJYQGIREMAVHY-JARUQAPTSA-N 2 0 232.371 1.882 20 0 BDADRP [NH3+]Cc1cccc(CN2C[C@H](F)C[C@H]([NH3+])C2)c1 ZINC001206444313 979011169 /nfs/dbraw/zinc/01/11/69/979011169.db2.gz HEKNDTVFLJBQEL-OLZOCXBDSA-N 2 0 237.322 1.016 20 0 BDADRP [NH3+][C@H](CN1CCC[C@H]2[NH2+]C[C@@H]21)c1ccccc1 ZINC001235296373 979021076 /nfs/dbraw/zinc/02/10/76/979021076.db2.gz WTNCQFZMKYAECD-MCIONIFRSA-N 2 0 231.343 1.123 20 0 BDADRP [NH3+][C@H]1C[C@@H](F)CN(Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC001206445357 979023417 /nfs/dbraw/zinc/02/34/17/979023417.db2.gz ONOSAXACCYJJJN-KGLIPLIRSA-N 2 0 249.333 1.161 20 0 BDADRP CN(CC[C@H]1CCCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC001235342035 979023480 /nfs/dbraw/zinc/02/34/80/979023480.db2.gz GRALBNOFVUGEMX-CHWSQXEVSA-N 2 0 225.380 1.202 20 0 BDADRP CC[NH+]1CCC(NCc2ncccc2C)CC1 ZINC000071339152 979030602 /nfs/dbraw/zinc/03/06/02/979030602.db2.gz BOMHQXFOPUHUFD-UHFFFAOYSA-N 2 0 233.359 1.964 20 0 BDADRP OCC[N@@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235348596 979031582 /nfs/dbraw/zinc/03/15/82/979031582.db2.gz HJHPJOSIOWOBJC-HUUCEWRRSA-N 2 0 246.354 1.058 20 0 BDADRP [NH3+]C1([C@@H]2C[N@H+](CCCCCO)C[C@H]2CF)CC1 ZINC001235398395 979035653 /nfs/dbraw/zinc/03/56/53/979035653.db2.gz VIISTFYDAOVAGE-VXGBXAGGSA-N 2 0 244.354 1.158 20 0 BDADRP OCCCCC[N@@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235400443 979035762 /nfs/dbraw/zinc/03/57/62/979035762.db2.gz CZEYOMUXEVVLRL-QWHCGFSZSA-N 2 0 244.354 1.173 20 0 BDADRP C[N@H+](C[C@@H](N)c1ccccc1)CC1CC[NH2+]CC1 ZINC001235433637 979044174 /nfs/dbraw/zinc/04/41/74/979044174.db2.gz NTTDTJNYBSYHMG-OAHLLOKOSA-N 2 0 247.386 1.618 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001340720969 979077078 /nfs/dbraw/zinc/07/70/78/979077078.db2.gz ZJCXSZJWXXYHBF-WOPDTQHZSA-N 2 0 241.379 1.007 20 0 BDADRP [NH3+]CCCC[N@@H+]1CC[C@@H](O)[C@@H]1Cc1ccccc1 ZINC001235554320 979100509 /nfs/dbraw/zinc/10/05/09/979100509.db2.gz ICGOJXZHUZBCFI-LSDHHAIUSA-N 2 0 248.370 1.403 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@H]([NH3+])C(C)(C)C ZINC001340831994 979121283 /nfs/dbraw/zinc/12/12/83/979121283.db2.gz JQSGKRZCNYAJMF-AXFHLTTASA-N 2 0 241.379 1.007 20 0 BDADRP C[C@H]1CCC[N@H+](C[C@@H]2CNC(C)(C)O2)[C@H]1C ZINC001235695617 979125074 /nfs/dbraw/zinc/12/50/74/979125074.db2.gz XEHPZWFDADTZQN-SRVKXCTJSA-N 2 0 226.364 1.831 20 0 BDADRP C(C[N@@H+]1CCCC2(C[NH2+]C2)C1)[C@H]1CCC[NH2+]C1 ZINC001235711137 979129147 /nfs/dbraw/zinc/12/91/47/979129147.db2.gz KJLAGXANXSNUNM-CYBMUJFWSA-N 3 0 237.391 1.062 20 0 BDADRP CCCNC(=O)[C@@H]1CCCC[N@@H+]1CCCC[NH3+] ZINC001235713010 979130992 /nfs/dbraw/zinc/13/09/92/979130992.db2.gz VNCDPZVBDKUEDT-LBPRGKRZSA-N 2 0 241.379 1.106 20 0 BDADRP CC[C@@H]1CNCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001235768297 979145935 /nfs/dbraw/zinc/14/59/35/979145935.db2.gz FNGPUUVEVCPTGR-QWHCGFSZSA-N 2 0 225.380 1.060 20 0 BDADRP CC[NH2+][C@H](C)CNC(=O)[C@](C)(C[NH3+])CC(C)C ZINC001340921958 979160638 /nfs/dbraw/zinc/16/06/38/979160638.db2.gz IMENLVREDUTFJK-YPMHNXCESA-N 2 0 243.395 1.112 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCc2ccncc2C1 ZINC001235839540 979169539 /nfs/dbraw/zinc/16/95/39/979169539.db2.gz DLLKFSIMHMCZFB-UHFFFAOYSA-N 2 0 205.305 1.179 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCNC[C@H]1Cc1ccccc1 ZINC001235847375 979169908 /nfs/dbraw/zinc/16/99/08/979169908.db2.gz HFZWCVNSUUFBCD-OAHLLOKOSA-N 2 0 247.386 1.242 20 0 BDADRP CC[C@H]([NH3+])CN1CC[NH2+][C@H](c2ccccc2)C1 ZINC001235857969 979171730 /nfs/dbraw/zinc/17/17/30/979171730.db2.gz BZGSMUOYLFFKNJ-KBPBESRZSA-N 2 0 233.359 1.370 20 0 BDADRP C[NH2+]CCCN1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001235860754 979173740 /nfs/dbraw/zinc/17/37/40/979173740.db2.gz WSCJERDKCNKTAS-CQSZACIVSA-N 2 0 233.359 1.242 20 0 BDADRP c1ccc([C@@H]2C[N@H+](CCC3C[NH2+]C3)CCN2)cc1 ZINC001235860848 979173812 /nfs/dbraw/zinc/17/38/12/979173812.db2.gz XNVIXPTXJKKVKD-HNNXBMFYSA-N 2 0 245.370 1.242 20 0 BDADRP [NH3+]CCN(CC[NH3+])CCCC1CCCCC1 ZINC001235875042 979174663 /nfs/dbraw/zinc/17/46/63/979174663.db2.gz AIBNPRWSYFTAPO-UHFFFAOYSA-N 2 0 227.396 1.566 20 0 BDADRP [NH3+]CCN(CC[NH3+])CCc1cccc(Cl)c1 ZINC001235873969 979174670 /nfs/dbraw/zinc/17/46/70/979174670.db2.gz GMXFOLOYCKVBGM-UHFFFAOYSA-N 2 0 241.766 1.102 20 0 BDADRP C([C@@H]1CCC[NH2+]1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001235881786 979178658 /nfs/dbraw/zinc/17/86/58/979178658.db2.gz IJVMLFVBJDATLG-UONOGXRCSA-N 2 0 237.391 1.202 20 0 BDADRP CC1=C[C@@H](C)[C@H](CN(CC[NH3+])CC[NH3+])CC1 ZINC001235877997 979178721 /nfs/dbraw/zinc/17/87/21/979178721.db2.gz YIWQZTANZGCCRK-OLZOCXBDSA-N 2 0 225.380 1.198 20 0 BDADRP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1CCC1CC[NH2+]CC1 ZINC001235892321 979183510 /nfs/dbraw/zinc/18/35/10/979183510.db2.gz PEYLVBHQGUNHCF-DGCLKSJQSA-N 3 0 225.380 1.188 20 0 BDADRP C[C@@H]1CN(Cc2cccc(C[NH3+])c2)C[C@H](C)[NH2+]1 ZINC001235900182 979194904 /nfs/dbraw/zinc/19/49/04/979194904.db2.gz AVZDKRSMKYZYGF-TXEJJXNPSA-N 2 0 233.359 1.328 20 0 BDADRP [NH3+][C@H](CN1CC[NH2+]C2(CC2)C1)c1ccccc1 ZINC001235931340 979211523 /nfs/dbraw/zinc/21/15/23/979211523.db2.gz AHLISTSAPPWPLM-CYBMUJFWSA-N 2 0 231.343 1.124 20 0 BDADRP C(CN1C[C@@H]2CC[NH2+]C[C@H]2C1)[C@H]1CCCC[NH2+]1 ZINC001235929300 979211730 /nfs/dbraw/zinc/21/17/30/979211730.db2.gz KWNAZKGRRNWQNV-MELADBBJSA-N 2 0 237.391 1.060 20 0 BDADRP C[N@H+](CCCC[NH3+])Cc1nc2ccccc2o1 ZINC001235961598 979232658 /nfs/dbraw/zinc/23/26/58/979232658.db2.gz FJAQUWNWMCJLHO-UHFFFAOYSA-N 2 0 233.315 1.999 20 0 BDADRP OCC[N@@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235975883 979239559 /nfs/dbraw/zinc/23/95/59/979239559.db2.gz XWPDPFXHRDKORE-UHFFFAOYSA-N 2 0 246.354 1.116 20 0 BDADRP [NH3+][C@]12CC[C@H]1C[N@H+](CC1Cc3ccccc3C1)C2 ZINC001235976995 979246183 /nfs/dbraw/zinc/24/61/83/979246183.db2.gz DTBYRWSXZQNMCH-HOTGVXAUSA-N 2 0 242.366 1.825 20 0 BDADRP [NH3+]CCCC[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC001235986114 979265942 /nfs/dbraw/zinc/26/59/42/979265942.db2.gz NULINPGWICZIIL-GFCCVEGCSA-N 2 0 212.337 1.228 20 0 BDADRP Cc1cc(C)cc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206463872 979323181 /nfs/dbraw/zinc/32/31/81/979323181.db2.gz FXAKGWOWIJGMQQ-UONOGXRCSA-N 2 0 234.343 1.055 20 0 BDADRP COC(=O)C[C@@H]1CCC[N@H+](CCCC[NH3+])C1 ZINC001236043212 979332542 /nfs/dbraw/zinc/33/25/42/979332542.db2.gz VSTGHLMYXAJNKY-NSHDSACASA-N 2 0 228.336 1.000 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CN(CC[C@@H]2CCC[NH2+]C2)C1 ZINC001236043973 979340149 /nfs/dbraw/zinc/34/01/49/979340149.db2.gz HHANUNQMWIRZMF-FRRDWIJNSA-N 2 0 225.380 1.045 20 0 BDADRP C[C@@H]1CN(Cc2ccc3c(c2)CCCN3)C[C@@H]1[NH3+] ZINC001236092815 979385652 /nfs/dbraw/zinc/38/56/52/979385652.db2.gz DCUDLCFAHVXRPN-RISCZKNCSA-N 2 0 245.370 1.824 20 0 BDADRP Cc1nnc([C@H]2CCC[N@H+](CCCC[NH3+])C2)o1 ZINC001236098975 979388076 /nfs/dbraw/zinc/38/80/76/979388076.db2.gz WBEKVHMOIPAXQL-NSHDSACASA-N 2 0 238.335 1.296 20 0 BDADRP C[C@@H]1CNC[C@@H](C)[NH+]1CC1(C)CC[NH2+]CC1 ZINC001236105344 979395546 /nfs/dbraw/zinc/39/55/46/979395546.db2.gz YXXOCIPLDICONL-VXGBXAGGSA-N 2 0 225.380 1.058 20 0 BDADRP CCCC[C@@H]1CN(C[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC001236135433 979401515 /nfs/dbraw/zinc/40/15/15/979401515.db2.gz OMFPFIDELVQVQA-CHWSQXEVSA-N 2 0 225.380 1.202 20 0 BDADRP CCCC[C@H]1CN(CCCCCC[NH3+])CC[NH2+]1 ZINC001236134534 979401788 /nfs/dbraw/zinc/40/17/88/979401788.db2.gz FNMAERXELGYGMU-AWEZNQCLSA-N 2 0 241.423 1.970 20 0 BDADRP CCCC[C@H]1CN(CC23CC([NH3+])(C2)C3)CC[NH2+]1 ZINC001236134503 979405643 /nfs/dbraw/zinc/40/56/43/979405643.db2.gz DKUNHDADEVIBAS-HSBZDZAISA-N 2 0 237.391 1.332 20 0 BDADRP [NH3+][C@@H]1CCN(CCC[NH2+]C2CCCCC2)C1 ZINC001236170107 979427794 /nfs/dbraw/zinc/42/77/94/979427794.db2.gz QUCFRAZNNXPRRP-GFCCVEGCSA-N 2 0 225.380 1.332 20 0 BDADRP CC(C)N(C)[C@@H]1CC[N@H+](CCCC[NH3+])C1 ZINC001236207507 979449838 /nfs/dbraw/zinc/44/98/38/979449838.db2.gz BHEGJYALPMBPBR-GFCCVEGCSA-N 2 0 213.369 1.140 20 0 BDADRP CN(C[C@@H]([NH3+])c1ccccc1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236210301 979449857 /nfs/dbraw/zinc/44/98/57/979449857.db2.gz ASYXLISOAUFBBV-KFWWJZLASA-N 2 0 247.386 1.888 20 0 BDADRP [NH3+]CCCCCCN1CCC[C@H]([NH2+]C2CC2)C1 ZINC001236216832 979452727 /nfs/dbraw/zinc/45/27/27/979452727.db2.gz WNUOLALIRPKEON-AWEZNQCLSA-N 2 0 239.407 1.722 20 0 BDADRP C[N@H+](CCC1CC[NH2+]CC1)[C@@H]1CCCC[C@H]1N ZINC001236214210 979452967 /nfs/dbraw/zinc/45/29/67/979452967.db2.gz RHJBCBZXQNYHAU-ZIAGYGMSSA-N 2 0 239.407 1.578 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)N1CCC[C@H]([NH2+]C2CC2)C1 ZINC001236216922 979453034 /nfs/dbraw/zinc/45/30/34/979453034.db2.gz YONSTZXSJAFCFT-OCCSQVGLSA-N 2 0 237.391 1.202 20 0 BDADRP C([C@H]1CCC[NH2+]C1)N(C1CC1)[C@H]1CCC[NH2+]C1 ZINC001236236994 979457882 /nfs/dbraw/zinc/45/78/82/979457882.db2.gz NXJNWPPRCHIGJZ-JSGCOSHPSA-N 2 0 237.391 1.202 20 0 BDADRP CC(C)C[C@](C)(C[NH3+])C(=O)NC[C@@H](C)[NH+](C)C ZINC001341672220 979505969 /nfs/dbraw/zinc/50/59/69/979505969.db2.gz BOEYSCMWTQXKRZ-DGCLKSJQSA-N 2 0 243.395 1.064 20 0 BDADRP C[C@@H]1C[C@@H]1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314178 979523744 /nfs/dbraw/zinc/52/37/44/979523744.db2.gz JOEQXDDKJFUGTH-FVCCEPFGSA-N 2 0 208.349 1.574 20 0 BDADRP CCn1cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cn1 ZINC001236316415 979527613 /nfs/dbraw/zinc/52/76/13/979527613.db2.gz SDPRDYANJKCXJD-OKILXGFUSA-N 2 0 248.374 1.334 20 0 BDADRP c1coc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)n1 ZINC001236320607 979531102 /nfs/dbraw/zinc/53/11/02/979531102.db2.gz RJAXTSGWPDZDTR-PHIMTYICSA-N 2 0 221.304 1.106 20 0 BDADRP CCCN(C[C@@H]([NH3+])c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC001236321889 979533087 /nfs/dbraw/zinc/53/30/87/979533087.db2.gz GYKLGAABKCKDON-HUUCEWRRSA-N 2 0 247.386 1.760 20 0 BDADRP Nc1cccc2c1CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001236354809 979550423 /nfs/dbraw/zinc/55/04/23/979550423.db2.gz LRAGIDVUCZQUSE-UHFFFAOYSA-N 2 0 245.370 1.627 20 0 BDADRP OCCC[N@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236369642 979570588 /nfs/dbraw/zinc/57/05/88/979570588.db2.gz BDHMIJASZRGEQZ-ZDUSSCGKSA-N 2 0 240.391 1.613 20 0 BDADRP CC(C)C[C@@H]([NH3+])CC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC001341847539 979575635 /nfs/dbraw/zinc/57/56/35/979575635.db2.gz MELNFYKRLHHZNV-MNOVXSKESA-N 2 0 243.395 1.240 20 0 BDADRP C[C@H]1[C@H]([NH3+])CCCN1C[C@@H]([NH3+])c1ccccc1 ZINC001236413554 979588359 /nfs/dbraw/zinc/58/83/59/979588359.db2.gz GJDQROWRCXUCSZ-IACUBPJLSA-N 2 0 233.359 1.498 20 0 BDADRP CC[C@H]([NH3+])CN(C(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236468892 979602948 /nfs/dbraw/zinc/60/29/48/979602948.db2.gz NLLZDJCWIZDTRL-NWDGAFQWSA-N 2 0 213.369 1.186 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)NC(=O)[C@@H]([NH3+])C(C)C ZINC001341948548 979602532 /nfs/dbraw/zinc/60/25/32/979602532.db2.gz AXPBCZHOKWPMMN-NEPJUHHUSA-N 2 0 243.395 1.206 20 0 BDADRP [NH3+]CCN(Cc1ccccc1)C[C@H]1CCCC[NH2+]1 ZINC001236522432 979616662 /nfs/dbraw/zinc/61/66/62/979616662.db2.gz OPKSXCUAJGQPJM-OAHLLOKOSA-N 2 0 247.386 1.589 20 0 BDADRP CC(C)N(CC1(C)CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC001236525570 979617863 /nfs/dbraw/zinc/61/78/63/979617863.db2.gz HQRPCFOFNWWLQC-ZDUSSCGKSA-N 2 0 239.407 1.448 20 0 BDADRP CC(C)N(C[C@H]1CCCC[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC001236528390 979620864 /nfs/dbraw/zinc/62/08/64/979620864.db2.gz SDHIXWKWDQKLEW-CHWSQXEVSA-N 2 0 225.380 1.201 20 0 BDADRP CC[NH2+]CCN(CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551748 979634952 /nfs/dbraw/zinc/63/49/52/979634952.db2.gz MRCDAGULIWCOFR-HDJSIYSDSA-N 2 0 239.407 1.578 20 0 BDADRP [NH3+][C@H]1CC[C@H]([N@H+](CCO)C2CCCC2)CC1 ZINC001236566545 979637707 /nfs/dbraw/zinc/63/77/07/979637707.db2.gz KHUOGZHPPBSSBV-AULYBMBSSA-N 2 0 226.364 1.493 20 0 BDADRP C[C@H](N)C[N@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236572961 979638599 /nfs/dbraw/zinc/63/85/99/979638599.db2.gz XXMOGGNTXDCPKM-GVXVVHGQSA-N 2 0 225.380 1.458 20 0 BDADRP C[C@@H](N)C[N@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236567750 979639870 /nfs/dbraw/zinc/63/98/70/979639870.db2.gz ZJSRKLYCHUHKDJ-YRGRVCCFSA-N 2 0 239.407 1.848 20 0 BDADRP [NH3+][C@H]1CC[C@H]([N@H+](CCCO)C2CCCC2)CC1 ZINC001236566093 979640495 /nfs/dbraw/zinc/64/04/95/979640495.db2.gz BLSFKWMBKPYNEV-MQMHXKEQSA-N 2 0 240.391 1.883 20 0 BDADRP C[C@@H]1CN(CCC2CC[NH+](C)CC2)C[C@H](C)[NH2+]1 ZINC001236576131 979646657 /nfs/dbraw/zinc/64/66/57/979646657.db2.gz BUDMKOWUIPKQSD-BETUJISGSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@@H]1CN(Cc2cccc3c[nH+]cn32)C[C@@H](C)[NH2+]1 ZINC001236580560 979658910 /nfs/dbraw/zinc/65/89/10/979658910.db2.gz FFNGQJHLWJGUIB-VXGBXAGGSA-N 2 0 244.342 1.517 20 0 BDADRP CC(C)([NH3+])CCC(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001342204011 979709444 /nfs/dbraw/zinc/70/94/44/979709444.db2.gz GIOLUXXJDYGYID-LLVKDONJSA-N 2 0 241.379 1.152 20 0 BDADRP COCOCCC[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205255707 979736851 /nfs/dbraw/zinc/73/68/51/979736851.db2.gz KJSBSQKKYRHAMT-LBPRGKRZSA-N 2 0 230.352 1.200 20 0 BDADRP C[N@H+](CCO)C1CC[NH+](C2CCCCC2)CC1 ZINC001236846139 979758384 /nfs/dbraw/zinc/75/83/84/979758384.db2.gz CBAFPKYQBYEEDI-UHFFFAOYSA-N 2 0 240.391 1.708 20 0 BDADRP CC[C@H]([NH3+])CN(C)CC[C@H]1CCCC[NH2+]1 ZINC001236859878 979764960 /nfs/dbraw/zinc/76/49/60/979764960.db2.gz OMUGFDDJHLTGKW-NWDGAFQWSA-N 2 0 213.369 1.188 20 0 BDADRP CC[C@H]([NH3+])C[N@H+](C)CCC1CCOCC1 ZINC001236859845 979766248 /nfs/dbraw/zinc/76/62/48/979766248.db2.gz NOXZRHKZKXLCAR-LBPRGKRZSA-N 2 0 214.353 1.472 20 0 BDADRP CC1(C)C[NH2+]C[C@H]1C(=O)Nc1ccccc1C[NH3+] ZINC001342339786 979778108 /nfs/dbraw/zinc/77/81/08/979778108.db2.gz HMKJAUYVILEZMN-NSHDSACASA-N 2 0 247.342 1.329 20 0 BDADRP C[C@H]([NH3+])CN(C)Cc1cccc(-n2cncn2)c1 ZINC001236909501 979793522 /nfs/dbraw/zinc/79/35/22/979793522.db2.gz RPIOCBCRJQSLQJ-NSHDSACASA-N 2 0 245.330 1.046 20 0 BDADRP CCN1CC[N@H+](CCCC[NH3+])C(C)(C)C1 ZINC001237037181 979807023 /nfs/dbraw/zinc/80/70/23/979807023.db2.gz GNMNGEPZGUUZBH-UHFFFAOYSA-N 2 0 213.369 1.141 20 0 BDADRP C[C@@]1(C[NH3+])CCCN(CC[C@@H]2CCCC[NH2+]2)C1 ZINC001237055178 979812879 /nfs/dbraw/zinc/81/28/79/979812879.db2.gz AQYXOXFEUJPMHC-KBPBESRZSA-N 2 0 239.407 1.579 20 0 BDADRP Cc1nccnc1CN1CCC[C@](C)([NH3+])CC1 ZINC001205273469 979838238 /nfs/dbraw/zinc/83/82/38/979838238.db2.gz LPCARZYIPCRVCE-ZDUSSCGKSA-N 2 0 234.347 1.488 20 0 BDADRP C[C@H]1C(=O)CC[N@H+](CCCC[NH3+])C12CCCC2 ZINC001237190734 979840259 /nfs/dbraw/zinc/84/02/59/979840259.db2.gz IBVSVHRIDXAADU-LBPRGKRZSA-N 2 0 238.375 1.949 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)N1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237375345 979877007 /nfs/dbraw/zinc/87/70/07/979877007.db2.gz MANRXXKOTBVZSZ-MGPQQGTHSA-N 2 0 237.391 1.060 20 0 BDADRP C(C1CC[NH2+]CC1)N1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237374716 979877366 /nfs/dbraw/zinc/87/73/66/979877366.db2.gz IMGACBUIEOJYCA-UONOGXRCSA-N 2 0 237.391 1.060 20 0 BDADRP CC1(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)COC1 ZINC001237384318 979883588 /nfs/dbraw/zinc/88/35/88/979883588.db2.gz VRNGSRHYNJOGMC-RYUDHWBXSA-N 2 0 224.348 1.097 20 0 BDADRP Cc1nc(C)c(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)[nH]1 ZINC001205288750 979925524 /nfs/dbraw/zinc/92/55/24/979925524.db2.gz OBAFBZSQHUCFHY-CYBMUJFWSA-N 2 0 236.363 1.730 20 0 BDADRP C[C@H]1CCN(C[C@@H]([NH3+])c2ccccc2)C[C@H]1C[NH3+] ZINC001205297150 980073093 /nfs/dbraw/zinc/07/30/93/980073093.db2.gz ZYAMYZZNLXHSCU-NWANDNLSSA-N 2 0 247.386 1.603 20 0 BDADRP C[NH+](C)CCc1cccc(C[NH+](C)C)c1F ZINC001250162995 980117930 /nfs/dbraw/zinc/11/79/30/980117930.db2.gz YOLRFUAPJYCZIU-UHFFFAOYSA-N 2 0 224.323 1.991 20 0 BDADRP C[C@H](CCCC[NH3+])NC(=O)c1ccccc1C[NH3+] ZINC001343510394 980136525 /nfs/dbraw/zinc/13/65/25/980136525.db2.gz PBNAQRKGWCUDME-LLVKDONJSA-N 2 0 249.358 1.393 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2cccc(C[NH3+])c2)C[C@H]1C[NH3+] ZINC001205317986 980153229 /nfs/dbraw/zinc/15/32/29/980153229.db2.gz RKMOUOKOQSJBOR-IUODEOHRSA-N 3 0 247.386 1.562 20 0 BDADRP C[C@H]([NH3+])c1ccc(C2=CCC[NH2+]CC2)cn1 ZINC001238949598 980390511 /nfs/dbraw/zinc/39/05/11/980390511.db2.gz HTBFJTVJTNDMEI-JTQLQIEISA-N 2 0 217.316 1.868 20 0 BDADRP Cc1nccc(NC[C@@H]2C[NH+]3CCC2CC3)n1 ZINC001187881146 980568148 /nfs/dbraw/zinc/56/81/48/980568148.db2.gz VXCBVQJEGJVRSY-GFCCVEGCSA-N 2 0 232.331 1.539 20 0 BDADRP CC(C)CC[C@H](O)C[NH2+]C[C@@H]1CC[N@H+](C)C1 ZINC001346190623 980780222 /nfs/dbraw/zinc/78/02/22/980780222.db2.gz HZJFYOWZRCFOGG-STQMWFEESA-N 2 0 228.380 1.325 20 0 BDADRP C[NH+](C)Cc1ccc(-c2cncc(C[NH3+])c2)nc1 ZINC001239791800 980932304 /nfs/dbraw/zinc/93/23/04/980932304.db2.gz VTSJPQCIMIMGNT-UHFFFAOYSA-N 2 0 242.326 1.664 20 0 BDADRP [NH3+]C[C@@]1(F)CCC[N@H+](C[C@H]2CCC=CO2)CC1 ZINC001205546009 980944607 /nfs/dbraw/zinc/94/46/07/980944607.db2.gz OQIWTUNJQJHERJ-CHWSQXEVSA-N 2 0 242.338 1.832 20 0 BDADRP CCc1nc(C)c(C[N@@H+]2CC[C@](C)(O)C2)[nH]1 ZINC001203236945 981002431 /nfs/dbraw/zinc/00/24/31/981002431.db2.gz UESJYPPNBQCQLD-LBPRGKRZSA-N 2 0 223.320 1.237 20 0 BDADRP C[C@H]1CC[N@H+](Cc2cn[nH]c2)CC[C@@H]1C[NH3+] ZINC001205601364 981159980 /nfs/dbraw/zinc/15/99/80/981159980.db2.gz DWEOKYCKCCLERH-CMPLNLGQSA-N 2 0 222.336 1.217 20 0 BDADRP C[C@H]1CC[N@H+](Cc2cnn(C)c2)CC[C@@H]1C[NH3+] ZINC001205603543 981174911 /nfs/dbraw/zinc/17/49/11/981174911.db2.gz PZVIIMAQOTVHTH-WCQYABFASA-N 2 0 236.363 1.227 20 0 BDADRP C[NH+]1CCC(C)(CNc2nccnc2C[NH3+])CC1 ZINC001348084202 981275886 /nfs/dbraw/zinc/27/58/86/981275886.db2.gz LPEBEQCYNSLAFO-UHFFFAOYSA-N 2 0 249.362 1.079 20 0 BDADRP CC1(C)CC[NH2+]CCN1C[C@@H]1CCC[NH2+]C1 ZINC001348560823 981393624 /nfs/dbraw/zinc/39/36/24/981393624.db2.gz GQWNTJDCLULNBK-GFCCVEGCSA-N 2 0 225.380 1.060 20 0 BDADRP CCC[C@@H](C)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC001349114331 981509380 /nfs/dbraw/zinc/50/93/80/981509380.db2.gz STCWGMXQMYSXID-CYBMUJFWSA-N 2 0 240.391 1.972 20 0 BDADRP Cc1cc(C2=CCC[NH2+]C2)nc2c1C[NH2+]CC2 ZINC001240644884 981540207 /nfs/dbraw/zinc/54/02/07/981540207.db2.gz FJKMFKHVOHXTOA-UHFFFAOYSA-N 2 0 229.327 1.412 20 0 BDADRP c1cc(C2=CCC[NH2+]C2)ccc1O[C@@H]1CC[NH2+]C1 ZINC001240671039 981581886 /nfs/dbraw/zinc/58/18/86/981581886.db2.gz QQKGBJIDXSKEPS-OAHLLOKOSA-N 2 0 244.338 1.804 20 0 BDADRP O[C@@H]1C[NH2+]CC[C@H]1[NH2+]CC1CCCCCC1 ZINC001580879966 981668157 /nfs/dbraw/zinc/66/81/57/981668157.db2.gz IHAMAGJFTFBQOG-CHWSQXEVSA-N 2 0 226.364 1.269 20 0 BDADRP O[C@@H]1CC[C@@H]2C[N@H+](CC[C@H]3CCC[NH2+]C3)C[C@H]12 ZINC001580884642 981702539 /nfs/dbraw/zinc/70/25/39/981702539.db2.gz KKLHUCFFVAFJRT-YIYPIFLZSA-N 2 0 238.375 1.079 20 0 BDADRP c1cnc([C@@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)cn1 ZINC001580896426 981728361 /nfs/dbraw/zinc/72/83/61/981728361.db2.gz BHEJDHXESMJBFD-CHWSQXEVSA-N 2 0 246.358 1.266 20 0 BDADRP Cc1cc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)ccn1 ZINC001205673976 981891868 /nfs/dbraw/zinc/89/18/68/981891868.db2.gz WXCQASYGUIEPOP-AWEZNQCLSA-N 2 0 249.358 1.066 20 0 BDADRP [NH3+]Cc1ccnc(C=C2CC[NH2+]CC2)c1 ZINC001240873159 981913318 /nfs/dbraw/zinc/91/33/18/981913318.db2.gz SNURFNLFTJHDMA-UHFFFAOYSA-N 2 0 203.289 1.307 20 0 BDADRP C(c1ccc2c(n1)CC[NH2+]C2)=C1CC[NH2+]CC1 ZINC001240873451 981915907 /nfs/dbraw/zinc/91/59/07/981915907.db2.gz DZGWXRXHRDSPLF-UHFFFAOYSA-N 2 0 229.327 1.494 20 0 BDADRP C[NH+](C)Cc1ccc(C=C2CC[NH2+]CC2)nc1 ZINC001240873516 981916804 /nfs/dbraw/zinc/91/68/04/981916804.db2.gz BPEJVIWLTXZUEK-UHFFFAOYSA-N 2 0 231.343 1.910 20 0 BDADRP C(c1ccc2c(n1)OCC[NH2+]C2)=C1CC[NH2+]CC1 ZINC001240874013 981917202 /nfs/dbraw/zinc/91/72/02/981917202.db2.gz MQJPHJBAEUMGLZ-UHFFFAOYSA-N 2 0 245.326 1.330 20 0 BDADRP C(=C1CC[NH2+]CC1)c1[nH+]ccc2c1CCN2 ZINC001240874716 981918978 /nfs/dbraw/zinc/91/89/78/981918978.db2.gz WEKPLQNHEWQEOP-UHFFFAOYSA-N 2 0 215.300 1.816 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C1CCC(C[NH3+])CC1 ZINC001350648659 982036110 /nfs/dbraw/zinc/03/61/10/982036110.db2.gz ZISPCATWSUMJEU-NELGMTEASA-N 3 0 239.407 1.339 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@@H]([NH2+]2)[C@@H]1C)C1CC1 ZINC001350955216 982133992 /nfs/dbraw/zinc/13/39/92/982133992.db2.gz HTXJJOBSCDUJHF-XZPDDHLCSA-N 2 0 208.349 1.904 20 0 BDADRP CC1(C)[C@@H]([NH2+]C[C@@H]2CCOC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC001350954668 982135035 /nfs/dbraw/zinc/13/50/35/982135035.db2.gz DUOOWTDSXHDDNR-RNJOBUHISA-N 2 0 238.375 1.389 20 0 BDADRP CCOCCC[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001196782574 982492462 /nfs/dbraw/zinc/49/24/62/982492462.db2.gz SDKUGCYAPWROGX-OLZOCXBDSA-N 2 0 226.364 1.297 20 0 BDADRP C[C@H]1CC[C@H](C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)O1 ZINC001196781678 982495521 /nfs/dbraw/zinc/49/55/21/982495521.db2.gz FZHWFNXGFMGCER-RFQIPJPRSA-N 2 0 238.375 1.437 20 0 BDADRP CCC[N@H+](CCC[NH+](C)C)C[C@H](O)CC ZINC001251782668 982692661 /nfs/dbraw/zinc/69/26/61/982692661.db2.gz NGKWZJDQVKUKMO-GFCCVEGCSA-N 2 0 216.369 1.421 20 0 BDADRP C[NH+](C)Cc1ccc(C2=CCC[N@H+](C)C2)nc1 ZINC001241569010 982815888 /nfs/dbraw/zinc/81/58/88/982815888.db2.gz ZFCVPMSDDSHJTH-UHFFFAOYSA-N 2 0 231.343 1.862 20 0 BDADRP C[C@H]([NH3+])c1cccc(-c2cnn(C3C[NH2+]C3)c2)c1 ZINC001241614588 982849513 /nfs/dbraw/zinc/84/95/13/982849513.db2.gz KCSZHKUEDGXHBQ-JTQLQIEISA-N 2 0 242.326 1.714 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+]C[C@H]2CCCOC2)C1 ZINC001199842936 983027942 /nfs/dbraw/zinc/02/79/42/983027942.db2.gz JNRWPRJZKMAPQZ-ZIAGYGMSSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@H](O)C[NH2+]CC1CC[NH+](CC2CCC2)CC1 ZINC001251974220 983059775 /nfs/dbraw/zinc/05/97/75/983059775.db2.gz XQIXUOIFXKSETQ-LBPRGKRZSA-N 2 0 240.391 1.469 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)c1ccccc1C[NH3+] ZINC001353929146 983085564 /nfs/dbraw/zinc/08/55/64/983085564.db2.gz RHUWTOVTLQQHIT-NEPJUHHUSA-N 2 0 247.342 1.001 20 0 BDADRP C[C@H]1COC[C@H](C)C1[NH2+]CCC[NH+]1CCCC1 ZINC001354204315 983191356 /nfs/dbraw/zinc/19/13/56/983191356.db2.gz JAFUUMHSIFDSSI-STQMWFEESA-N 2 0 240.391 1.733 20 0 BDADRP C[N@H+](CCN1CC[NH+](C)CC1)CC(C)(C)C ZINC001201442839 983243928 /nfs/dbraw/zinc/24/39/28/983243928.db2.gz KLQVUNOTAHUCHG-UHFFFAOYSA-N 2 0 227.396 1.212 20 0 BDADRP CCC[C@H](C)C[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001201553581 983310983 /nfs/dbraw/zinc/31/09/83/983310983.db2.gz OOSARDMCYQXXDO-ZDUSSCGKSA-N 2 0 239.407 1.354 20 0 BDADRP CC(C)C[NH2+]CC(=O)Nc1ccccc1C[NH3+] ZINC001355718137 983536766 /nfs/dbraw/zinc/53/67/66/983536766.db2.gz DJCJYVAWRQPAQC-UHFFFAOYSA-N 2 0 235.331 1.329 20 0 BDADRP C[NH+]1CCN(C2C[NH+](CC3CCCC3)C2)CC1 ZINC001202189599 983595180 /nfs/dbraw/zinc/59/51/80/983595180.db2.gz BHOBJCUGOXIXGT-UHFFFAOYSA-N 2 0 237.391 1.108 20 0 BDADRP CC[C@@H](C)C[C@H]([NH3+])C(=O)NC(C)(C)CCC[NH3+] ZINC001357475437 983729856 /nfs/dbraw/zinc/72/98/56/983729856.db2.gz XASRGYKTGZFBEM-MNOVXSKESA-N 2 0 243.395 1.384 20 0 BDADRP CCOCCC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925490325 983796103 /nfs/dbraw/zinc/79/61/03/983796103.db2.gz SLJWXFUELNKVOY-JTQLQIEISA-N 2 0 200.326 1.143 20 0 BDADRP C[NH2+]C[C@H](C)NC(=O)[C@@H]([NH3+])C1CCCCCC1 ZINC001357888515 983801929 /nfs/dbraw/zinc/80/19/29/983801929.db2.gz FEGCRLLCJXESGH-JQWIXIFHSA-N 2 0 241.379 1.008 20 0 BDADRP CC[N@H+](CCC[NH+](C)C)C[C@@H]1CCOC1 ZINC001202528882 983870450 /nfs/dbraw/zinc/87/04/50/983870450.db2.gz HJNNANRIHIVAMW-LBPRGKRZSA-N 2 0 214.353 1.297 20 0 BDADRP CCC[C@@H](O)C[NH2+]CCC1CC[NH+](C)CC1 ZINC001252771755 983875004 /nfs/dbraw/zinc/87/50/04/983875004.db2.gz UIWPJFBGAMWOEJ-CYBMUJFWSA-N 2 0 228.380 1.469 20 0 BDADRP CCC[C@H](O)C[NH2+]CC(C)(C)C[NH+](C)C ZINC001252801032 983895731 /nfs/dbraw/zinc/89/57/31/983895731.db2.gz SLFMTOJMOPCPSH-NSHDSACASA-N 2 0 216.369 1.325 20 0 BDADRP C[C@@H]1C[NH+](CC2CC[NH+](C)CC2)C[C@@H](C)N1 ZINC000202092129 984006142 /nfs/dbraw/zinc/00/61/42/984006142.db2.gz ZXXWWCIYRRMDKA-VXGBXAGGSA-N 2 0 225.380 1.010 20 0 BDADRP C[NH+]1CCC(NC[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001561033930 984017029 /nfs/dbraw/zinc/01/70/29/984017029.db2.gz ACUHJMNPPJPOLV-CYBMUJFWSA-N 2 0 237.391 1.012 20 0 BDADRP [NH3+]Cc1ccc(-c2ccc3c(c2)C[NH2+]C3)cn1 ZINC001242676392 984046050 /nfs/dbraw/zinc/04/60/50/984046050.db2.gz QRIAAJSMLMDYKQ-UHFFFAOYSA-N 2 0 225.295 1.811 20 0 BDADRP CC[N@H+](CCn1ccnc1)CC1CCOCC1 ZINC001202597770 984103981 /nfs/dbraw/zinc/10/39/81/984103981.db2.gz DIZIJFRPICMNCI-UHFFFAOYSA-N 2 0 237.347 1.632 20 0 BDADRP C[C@H](O)C(C)(C)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC001576261902 984162478 /nfs/dbraw/zinc/16/24/78/984162478.db2.gz CEZOBPQKPVOLRG-DCAQKATOSA-N 2 0 214.353 1.253 20 0 BDADRP C[C@@H](O)C[C@H](C)[NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001576271295 984164402 /nfs/dbraw/zinc/16/44/02/984164402.db2.gz DOAZKCGTXYNURJ-PJIALRRASA-N 2 0 240.391 1.656 20 0 BDADRP C[C@@]1(C[NH2+]C[C@@H]2OCc3ccccc32)CC[NH2+]C1 ZINC001576518822 984170463 /nfs/dbraw/zinc/17/04/63/984170463.db2.gz HLZLRXODPXWOEN-LSDHHAIUSA-N 2 0 246.354 1.847 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]([NH3+])C2)CS1 ZINC001576671138 984178760 /nfs/dbraw/zinc/17/87/60/984178760.db2.gz RUKYQHDISYENCR-DOLQZWNJSA-N 2 0 200.351 1.350 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CC[NH2+]C2)C[C@@H]1C ZINC001576670170 984178941 /nfs/dbraw/zinc/17/89/41/984178941.db2.gz DNTGPOBMRMUGER-VOAKCMCISA-N 2 0 226.364 1.125 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC001577124857 984189998 /nfs/dbraw/zinc/18/99/98/984189998.db2.gz UVBIDXPFQKODDS-JIMTYQMOSA-N 2 0 224.348 1.127 20 0 BDADRP CCO[C@@]1(C)C[C@H]1[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC001578161644 984205469 /nfs/dbraw/zinc/20/54/69/984205469.db2.gz TUZVCNHRIZHNKJ-QCNOEVLYSA-N 2 0 224.348 1.413 20 0 BDADRP CC[C@H]1[NH2+]CC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001578241815 984208827 /nfs/dbraw/zinc/20/88/27/984208827.db2.gz MWGLVLGJINWPJN-SYQHCUMBSA-N 2 0 237.391 1.343 20 0 BDADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@@H](C)C(C)(C)C1 ZINC001578622162 984214420 /nfs/dbraw/zinc/21/44/20/984214420.db2.gz PMBLOBKIJBYWDS-DGCLKSJQSA-N 2 0 228.380 1.325 20 0 BDADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1C[C@@H](C)CC(C)(C)C1 ZINC001578620857 984215213 /nfs/dbraw/zinc/21/52/13/984215213.db2.gz ADPWIDQWXMLFLZ-WCQYABFASA-N 2 0 228.380 1.325 20 0 BDADRP CO[C@@H](C[NH2+]CC[C@H](C)[NH3+])CC(C)C ZINC001578913043 984235686 /nfs/dbraw/zinc/23/56/86/984235686.db2.gz QIBRTAMUEVCXTL-WDEREUQCSA-N 2 0 202.342 1.374 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+]CC(C)(C)C1CC1 ZINC001579001403 984244975 /nfs/dbraw/zinc/24/49/75/984244975.db2.gz ICGQYXMIEXEEQN-NSHDSACASA-N 2 0 214.353 1.376 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1 ZINC001579000712 984249164 /nfs/dbraw/zinc/24/91/64/984249164.db2.gz BFNMKXOJALKJEE-RNJOBUHISA-N 2 0 226.364 1.376 20 0 BDADRP COCC[C@@H]([NH3+])C[NH2+]CC1(COC)CCCC1 ZINC001579003357 984256299 /nfs/dbraw/zinc/25/62/99/984256299.db2.gz GFLGCQAZTXZYNH-GFCCVEGCSA-N 2 0 244.379 1.147 20 0 BDADRP C[NH2+]Cc1ccc(-c2cc(C[NH3+])ccn2)cc1 ZINC001242988651 984352640 /nfs/dbraw/zinc/35/26/40/984352640.db2.gz MFNMOWLUYGDNBJ-UHFFFAOYSA-N 2 0 227.311 1.927 20 0 BDADRP Cn1ncc(C[NH3+])c1C[NH2+][C@@H]1CCCC[C@@H]1F ZINC001580002011 984361330 /nfs/dbraw/zinc/36/13/30/984361330.db2.gz AASDAHJMBDYFLL-WDEREUQCSA-N 2 0 240.326 1.249 20 0 BDADRP [NH3+][C@H]1CC12CC([NH2+][C@H](CO)Cc1ccccc1)C2 ZINC001580163459 984402828 /nfs/dbraw/zinc/40/28/28/984402828.db2.gz BGQDGWNDAJSXIL-LQULJDIASA-N 2 0 246.354 1.059 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+][C@H](CCO)c1ccco1)C2 ZINC001580163850 984410232 /nfs/dbraw/zinc/41/02/32/984410232.db2.gz DXRPZUHLVNTWJZ-JKFXUVRWSA-N 2 0 236.315 1.173 20 0 BDADRP [NH3+][C@H]1CC12CC([NH2+][C@@H](c1ncccn1)C1CC1)C2 ZINC001580167229 984410451 /nfs/dbraw/zinc/41/04/51/984410451.db2.gz VWTGKGPFFTWEKV-MRFPXMQZSA-N 2 0 244.342 1.397 20 0 BDADRP [NH3+]CC1(C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)CC1 ZINC001580243392 984473512 /nfs/dbraw/zinc/47/35/12/984473512.db2.gz FHDZRXUIGGBJMU-CHWSQXEVSA-N 2 0 238.375 1.112 20 0 BDADRP CCC[NH+]1CCC2(C[NH+](Cc3cn[nH]c3)C2)CC1 ZINC001275103066 984489575 /nfs/dbraw/zinc/48/95/75/984489575.db2.gz DRMCHVPUIQOFON-UHFFFAOYSA-N 2 0 248.374 1.718 20 0 BDADRP [NH3+]CC[C@H](O)C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC001580284648 984496500 /nfs/dbraw/zinc/49/65/00/984496500.db2.gz NEAMLVBOCSXTAW-GJZGRUSLSA-N 2 0 248.370 1.307 20 0 BDADRP Nc1[nH+]ccn1Cc1cccc(C2=CC[NH2+]C2)c1 ZINC001243111343 984576732 /nfs/dbraw/zinc/57/67/32/984576732.db2.gz KHZFLDYICKJFTK-UHFFFAOYSA-N 2 0 240.310 1.500 20 0 BDADRP O[C@H]1[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)CCCC1(F)F ZINC001580885658 984620098 /nfs/dbraw/zinc/62/00/98/984620098.db2.gz JDZKYRKPSWRPPN-MXWKQRLJSA-N 2 0 248.317 1.124 20 0 BDADRP c1cncc([C@H]2C[C@H]([NH2+]CC3C[NH2+]C3)CCO2)c1 ZINC001580897642 984623171 /nfs/dbraw/zinc/62/31/71/984623171.db2.gz UUJSVMQUFQKCPB-ZIAGYGMSSA-N 2 0 247.342 1.111 20 0 BDADRP CC[NH+](CC)[C@H](C)CNC[C@@H]1CCC[NH2+]C1 ZINC001577697062 984637121 /nfs/dbraw/zinc/63/71/21/984637121.db2.gz AXOXMAWJTCCAMS-CHWSQXEVSA-N 2 0 227.396 1.306 20 0 BDADRP C[N@H+]1CC[C@H]2C[NH+](Cc3cccnc3)C[C@H]2CC1 ZINC001275885096 984707197 /nfs/dbraw/zinc/70/71/97/984707197.db2.gz WLUXZHVVLZLHSQ-GASCZTMLSA-N 2 0 245.370 1.855 20 0 BDADRP C[C@@H](Cc1ccncc1)[NH+]1CCC(C)([NH3+])CC1 ZINC001256722451 984708803 /nfs/dbraw/zinc/70/88/03/984708803.db2.gz DHXCBNNTCLKXSP-LBPRGKRZSA-N 2 0 233.359 1.826 20 0 BDADRP CC[NH+]1CCC(N[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC001577767841 984760729 /nfs/dbraw/zinc/76/07/29/984760729.db2.gz QFLUHJOSCJDJRV-KGLIPLIRSA-N 2 0 237.391 1.345 20 0 BDADRP CC[N@@H+]1CCC[C@@H](N[C@H]2C[NH2+]CCC2(F)F)C1 ZINC001577771333 984770449 /nfs/dbraw/zinc/77/04/49/984770449.db2.gz VBBATKGBFJJYJQ-MNOVXSKESA-N 2 0 247.333 1.058 20 0 BDADRP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccncc1O ZINC001275997163 984771217 /nfs/dbraw/zinc/77/12/17/984771217.db2.gz URVYYOMCIIGQJI-YHWZYXNKSA-N 2 0 247.342 1.502 20 0 BDADRP CCN1CC[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC001577778267 984772886 /nfs/dbraw/zinc/77/28/86/984772886.db2.gz OVSNAMPHAPQSMY-RWMBFGLXSA-N 2 0 225.380 1.140 20 0 BDADRP CCN1CCC[C@@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001577771165 984776666 /nfs/dbraw/zinc/77/66/66/984776666.db2.gz SPWALJCMHNNUPR-YNEHKIRRSA-N 2 0 225.380 1.188 20 0 BDADRP CCOC(=O)C1(C[NH2+]C[C@H](C[NH3+])C(C)C)CC1 ZINC001577927845 984814605 /nfs/dbraw/zinc/81/46/05/984814605.db2.gz GHHAONVPWBVZPV-NSHDSACASA-N 2 0 242.363 1.150 20 0 BDADRP CCOC(=O)[C@H](C)[C@H](C)[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC001577908423 984818657 /nfs/dbraw/zinc/81/86/57/984818657.db2.gz ITQJEXVIHWOPQH-NOOOWODRSA-N 2 0 242.363 1.291 20 0 BDADRP CCOC(=O)C[C@](C)([NH2+]C[C@@H](C)[NH3+])C(C)C ZINC001577939318 984820613 /nfs/dbraw/zinc/82/06/13/984820613.db2.gz CVMOUDUGIYRXSP-PWSUYJOCSA-N 2 0 230.352 1.291 20 0 BDADRP CCOC(=O)C1(C)CC([NH2+][C@H](C)C[C@@H](C)[NH3+])C1 ZINC001577925242 984821678 /nfs/dbraw/zinc/82/16/78/984821678.db2.gz GOUDJGVJYAYFRR-IXYVEGFRSA-N 2 0 242.363 1.434 20 0 BDADRP CCOC(=O)C1(C)CC([NH2+]CC[C@H](C)[NH3+])C1 ZINC001577925249 984823205 /nfs/dbraw/zinc/82/32/05/984823205.db2.gz GVOLDXMHKJYINB-BMQDGWLCSA-N 2 0 228.336 1.045 20 0 BDADRP Cc1ncoc1C[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001276216432 984830955 /nfs/dbraw/zinc/83/09/55/984830955.db2.gz UOJAWOMXOZWFGT-UHFFFAOYSA-N 2 0 249.358 1.901 20 0 BDADRP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cnn(C)c3)(C1)CCC2 ZINC001276222088 984831775 /nfs/dbraw/zinc/83/17/75/984831775.db2.gz MPRQDMYEMBQHCB-UONOGXRCSA-N 2 0 248.374 1.575 20 0 BDADRP CCOC(OCC)[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC001578075737 984839165 /nfs/dbraw/zinc/83/91/65/984839165.db2.gz QRRDJICTUSLDCY-HBNTYKKESA-N 2 0 244.379 1.489 20 0 BDADRP [NH3+]Cc1ccn([C@@H]2CCC[N@@H+](C3CCCC3)C2)n1 ZINC001256899035 984844954 /nfs/dbraw/zinc/84/49/54/984844954.db2.gz QTDJEXMJHNEMAU-CQSZACIVSA-N 2 0 248.374 1.921 20 0 BDADRP CCO[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H]([NH3+])C2)C1 ZINC001578097680 984849947 /nfs/dbraw/zinc/84/99/47/984849947.db2.gz HHISLBIBJALRRL-FIQHERPVSA-N 2 0 212.337 1.413 20 0 BDADRP CCOCC(C)(C)[NH2+]CCC1([NH3+])CCOCC1 ZINC001578102476 984850889 /nfs/dbraw/zinc/85/08/89/984850889.db2.gz RUFVQRKQIIWUBS-UHFFFAOYSA-N 2 0 244.379 1.289 20 0 BDADRP CCO[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[NH2+]C1 ZINC001578151408 984857811 /nfs/dbraw/zinc/85/78/11/984857811.db2.gz IIBKHWBLYNWZPQ-QJPTWQEYSA-N 2 0 212.337 1.143 20 0 BDADRP CCO[C@@H]1CCCC[C@H]1[NH2+]C[C@H]([NH3+])CCOC ZINC001578149119 984859208 /nfs/dbraw/zinc/85/92/08/984859208.db2.gz VONPDFDENFAKBO-JHJVBQTASA-N 2 0 244.379 1.288 20 0 BDADRP CCc1ccc(C[NH2+]CCOCCC[NH3+])o1 ZINC001578259933 984902312 /nfs/dbraw/zinc/90/23/12/984902312.db2.gz RTTQJAISQSTRTA-UHFFFAOYSA-N 2 0 226.320 1.297 20 0 BDADRP C[C@@H](O)C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000691911023 984939557 /nfs/dbraw/zinc/93/95/57/984939557.db2.gz QSRDJMJHWJRKJC-GFCCVEGCSA-N 2 0 226.364 1.175 20 0 BDADRP C[C@H](O)CC[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000691913255 984940459 /nfs/dbraw/zinc/94/04/59/984940459.db2.gz UYYRYANYAUXMQB-ZDUSSCGKSA-N 2 0 240.391 1.565 20 0 BDADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NCC12CC(C1)C[NH2+]2 ZINC001578410261 985044400 /nfs/dbraw/zinc/04/44/00/985044400.db2.gz FMOSQFSKLXQQCU-YIFLHPOLSA-N 2 0 237.391 1.201 20 0 BDADRP CN(CC(C)(C)C[NH+](C)C)CC1(C[NH3+])CCC1 ZINC001578413592 985051832 /nfs/dbraw/zinc/05/18/32/985051832.db2.gz QKRJYDUCOJFIDE-UHFFFAOYSA-N 2 0 241.423 1.635 20 0 BDADRP CN(C)c1cc[nH+]c(NC(=O)[C@H]2CCC[C@H]2[NH3+])c1 ZINC001578429318 985062023 /nfs/dbraw/zinc/06/20/23/985062023.db2.gz UGPRMDFFRCORTH-WDEREUQCSA-N 2 0 248.330 1.214 20 0 BDADRP C[N@H+](C[C@H]1C[C@@]12CCOC2)CC1CC[NH2+]CC1 ZINC001578458723 985095737 /nfs/dbraw/zinc/09/57/37/985095737.db2.gz URWGOWBPRUOCCH-ZIAGYGMSSA-N 2 0 238.375 1.344 20 0 BDADRP Cn1ncc(C[NH3+])c1C[N@H+](C)C[C@@H]1CC1(C)C ZINC001578486525 985117124 /nfs/dbraw/zinc/11/71/24/985117124.db2.gz OPYGJXIMMYAXQP-NSHDSACASA-N 2 0 236.363 1.357 20 0 BDADRP C[N@@H+]1CC[C@H](N[C@@H]2CCCC[C@H]2[NH3+])CC1(C)C ZINC001578525147 985145406 /nfs/dbraw/zinc/14/54/06/985145406.db2.gz SBORPVFJLRABSD-YNEHKIRRSA-N 2 0 239.407 1.719 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CCN[C@@H]1CCCC[C@H]1[NH3+] ZINC001578529064 985154357 /nfs/dbraw/zinc/15/43/57/985154357.db2.gz PTKPESGFPPXQPX-JHJVBQTASA-N 2 0 225.380 1.330 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1CNCC1(C[NH3+])CCC1 ZINC001578529647 985156888 /nfs/dbraw/zinc/15/68/88/985156888.db2.gz WPCQIIKXEUSPOB-GFCCVEGCSA-N 2 0 225.380 1.189 20 0 BDADRP COC(CC[N@H+](C)C[C@@H]1CCC[NH+](C)C1)OC ZINC000686617464 985175264 /nfs/dbraw/zinc/17/52/64/985175264.db2.gz PILOZHAFCOUWHB-GFCCVEGCSA-N 2 0 244.379 1.269 20 0 BDADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@@H](C(C)C)C1 ZINC001578622696 985237339 /nfs/dbraw/zinc/23/73/39/985237339.db2.gz YNKPREJXXXLMTD-CHWSQXEVSA-N 2 0 228.380 1.325 20 0 BDADRP CO[C@@H]1CC[C@@H](C)[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000687191458 985254974 /nfs/dbraw/zinc/25/49/74/985254974.db2.gz BGWIHCSNOZIPHW-FVCCEPFGSA-N 2 0 226.364 1.341 20 0 BDADRP C[NH2+]C[C@@H](O)C[N@H+](C)CCC1CCCCCC1 ZINC001578652994 985265529 /nfs/dbraw/zinc/26/55/29/985265529.db2.gz SAEMDUTXOBKXOB-CQSZACIVSA-N 2 0 242.407 1.859 20 0 BDADRP C[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001578654628 985274875 /nfs/dbraw/zinc/27/48/75/985274875.db2.gz VEDHULSKGOUROR-MJBXVCDLSA-N 2 0 238.375 1.077 20 0 BDADRP C[NH2+]CCN(C(=O)[C@H](C)CC[NH+](C)C)C(C)C ZINC001578699269 985302799 /nfs/dbraw/zinc/30/27/99/985302799.db2.gz YULHZMHOXJJRKR-GFCCVEGCSA-N 2 0 243.395 1.031 20 0 BDADRP CNc1ccccc1C[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578763067 985328907 /nfs/dbraw/zinc/32/89/07/985328907.db2.gz AKJWTCARRYTWNZ-WCQYABFASA-N 2 0 233.359 1.945 20 0 BDADRP COC(=O)CC1CC([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001578803472 985373342 /nfs/dbraw/zinc/37/33/42/985373342.db2.gz QHUNZAGMHZPNJN-UZEXVOJHSA-N 2 0 240.347 1.045 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578897863 985471193 /nfs/dbraw/zinc/47/11/93/985471193.db2.gz ZJGGLTHFISDTGE-CHWFTXMASA-N 2 0 200.326 1.127 20 0 BDADRP CO[C@H](CC(C)C)C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(C)C1 ZINC001578900699 985492748 /nfs/dbraw/zinc/49/27/48/985492748.db2.gz KTPHNMKYTQTFIW-MCIONIFRSA-N 2 0 240.391 1.589 20 0 BDADRP C[C@@H]1COC[C@@H]1[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000688028882 985504930 /nfs/dbraw/zinc/50/49/30/985504930.db2.gz IMWBYNBRCGOEPN-WOPDTQHZSA-N 2 0 212.337 1.095 20 0 BDADRP CO[C@@H](C[NH2+]C(C)(C)C[NH3+])CC(C)C ZINC001578913098 985514210 /nfs/dbraw/zinc/51/42/10/985514210.db2.gz RNNIAGDXCKFNSH-SNVBAGLBSA-N 2 0 202.342 1.374 20 0 BDADRP CO[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])C1)CC(C)C ZINC001578912342 985515575 /nfs/dbraw/zinc/51/55/75/985515575.db2.gz CSZXXSSZVLBCCJ-AXFHLTTASA-N 2 0 200.326 1.127 20 0 BDADRP CO[C@H](C[NH2+]C(C)(C)C[NH3+])CC(C)C ZINC001578913097 985516174 /nfs/dbraw/zinc/51/61/74/985516174.db2.gz RNNIAGDXCKFNSH-JTQLQIEISA-N 2 0 202.342 1.374 20 0 BDADRP CO[C@@H](C[NH2+][C@H](C)CC[NH3+])CC(C)C ZINC001578912883 985517982 /nfs/dbraw/zinc/51/79/82/985517982.db2.gz OIILNVCVCVRNLN-GHMZBOCLSA-N 2 0 202.342 1.374 20 0 BDADRP C[C@H]1COC[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000688047458 985526595 /nfs/dbraw/zinc/52/65/95/985526595.db2.gz ZWTZTLIKUWCPOE-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP COC1CC(C[NH2+][C@H](C)C[C@H](C)[NH3+])C1 ZINC001578935723 985531708 /nfs/dbraw/zinc/53/17/08/985531708.db2.gz KVQOJACLCLJAAU-IZUQBHJASA-N 2 0 200.326 1.127 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001578936457 985544102 /nfs/dbraw/zinc/54/41/02/985544102.db2.gz DIMCNVRSPQIPFT-NNYUYHANSA-N 2 0 212.337 1.413 20 0 BDADRP CO[C@@H]1CC[C@@H]([N@H+](C)CC2CC[NH2+]CC2)C1 ZINC001578938350 985556938 /nfs/dbraw/zinc/55/69/38/985556938.db2.gz RESUUCMNBNTQLM-CHWSQXEVSA-N 2 0 226.364 1.485 20 0 BDADRP COC[C@H](CC(C)(C)C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578960244 985579171 /nfs/dbraw/zinc/57/91/71/985579171.db2.gz BSMLNWCKCYQSLF-NNYUYHANSA-N 2 0 226.364 1.245 20 0 BDADRP COCC(C)(C)C[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578954826 985579804 /nfs/dbraw/zinc/57/98/04/985579804.db2.gz GVJGEZQXLGXGDF-WDEREUQCSA-N 2 0 214.353 1.376 20 0 BDADRP COC[C@H](CC1CCOCC1)[NH2+]CC[C@H](C)[NH3+] ZINC001578960790 985584557 /nfs/dbraw/zinc/58/45/57/985584557.db2.gz OTXDZXNQRHFPNB-AAEUAGOBSA-N 2 0 244.379 1.145 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@@H]2C2CCC2)C1 ZINC000688303245 985606604 /nfs/dbraw/zinc/60/66/04/985606604.db2.gz RMRICIXGBZKSGP-KGYLQXTDSA-N 2 0 208.349 1.988 20 0 BDADRP C[C@@H](O)[C@@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC001459765065 985607835 /nfs/dbraw/zinc/60/78/35/985607835.db2.gz VERVFFKWZHCSDA-CHWSQXEVSA-N 2 0 242.407 1.810 20 0 BDADRP COCC[C@H](C)[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC001578995725 985627200 /nfs/dbraw/zinc/62/72/00/985627200.db2.gz VCASEOWEYGPSNB-TUAOUCFPSA-N 2 0 212.337 1.286 20 0 BDADRP COCC[C@H]([NH3+])C[N@H+](CCOC)C1CCCC1 ZINC001579000307 985647752 /nfs/dbraw/zinc/64/77/52/985647752.db2.gz RSECJLIKCOMZDN-LBPRGKRZSA-N 2 0 244.379 1.241 20 0 BDADRP c1ccc(N2CC[NH2+]CC2)c(C2=C[NH2+]CCC2)c1 ZINC001243951060 985647776 /nfs/dbraw/zinc/64/77/76/985647776.db2.gz RUDYSBBMCYHORZ-UHFFFAOYSA-N 2 0 243.354 1.821 20 0 BDADRP COCC[C@@H]([NH3+])C[NH2+]C1(CCO)CCCCC1 ZINC001579002581 985651371 /nfs/dbraw/zinc/65/13/71/985651371.db2.gz SFKXYNAEMPGDBH-GFCCVEGCSA-N 2 0 244.379 1.025 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+][C@H](C(C)C)C1CC1 ZINC001579003000 985658975 /nfs/dbraw/zinc/65/89/75/985658975.db2.gz WPEHRIFAKBLYGB-NWDGAFQWSA-N 2 0 214.353 1.374 20 0 BDADRP Cc1cc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)no1 ZINC001276307236 985757046 /nfs/dbraw/zinc/75/70/46/985757046.db2.gz INGSALMLZKSCBK-BETUJISGSA-N 2 0 249.358 1.757 20 0 BDADRP COc1cc(CC[NH2+]CC2CC[NH2+]CC2)ccn1 ZINC001579150347 985817355 /nfs/dbraw/zinc/81/73/55/985817355.db2.gz HKZPYBXXWFVSJJ-UHFFFAOYSA-N 2 0 249.358 1.222 20 0 BDADRP COc1ccc([C@@H](C)[NH2+]CCOCC[NH3+])cc1 ZINC001579195328 985822183 /nfs/dbraw/zinc/82/21/83/985822183.db2.gz VVQOBJJMLLWHSY-LLVKDONJSA-N 2 0 238.331 1.321 20 0 BDADRP CSCCCCC[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC001579371379 985863797 /nfs/dbraw/zinc/86/37/97/985863797.db2.gz FXIWDSUQRWDYHY-PHIMTYICSA-N 2 0 216.394 1.847 20 0 BDADRP CS[C@H]1C[C@H]([NH2+]C2CC3(C[C@@H]3[NH3+])C2)C1 ZINC001579385157 985868800 /nfs/dbraw/zinc/86/88/00/985868800.db2.gz WGDAOBBVDTWLTF-GGOCBZKTSA-N 2 0 212.362 1.350 20 0 BDADRP C[C@@H]1CC=CC[C@H]1[NH2+]C[C@@]1(O)CCC[NH2+]C1 ZINC001579420705 985903831 /nfs/dbraw/zinc/90/38/31/985903831.db2.gz WHTVDBOFWCZUIS-JHJVBQTASA-N 2 0 224.348 1.045 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cnn3c2CCC3)C[C@H]1CC[NH3+] ZINC001579441548 985926236 /nfs/dbraw/zinc/92/62/36/985926236.db2.gz BLLKOTXJXWUSBM-VXGBXAGGSA-N 2 0 248.374 1.246 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)C1CCC(CO)CC1 ZINC001579454671 985938415 /nfs/dbraw/zinc/93/84/15/985938415.db2.gz URSWNURAIQETKC-ZIHBUVQPSA-N 2 0 240.391 1.325 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@H](c2ncccn2)C1 ZINC001579454681 985939294 /nfs/dbraw/zinc/93/92/94/985939294.db2.gz VFSLFWBDSXYKON-AGIUHOORSA-N 2 0 246.358 1.121 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCOC(C)(C)C1 ZINC001579454144 985941829 /nfs/dbraw/zinc/94/18/29/985941829.db2.gz YNMBCFIIVDDAAR-JHJVBQTASA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@]12C[NH2+]C[C@@H]1C[N@H+](C[C@H]1CCSC1)C2 ZINC001579473540 985948619 /nfs/dbraw/zinc/94/86/19/985948619.db2.gz DGSIIWZPHFQSJC-UTUOFQBUSA-N 2 0 226.389 1.281 20 0 BDADRP C[C@H](O)C[NH+]1CCC2(CCC[C@@H]2C[NH3+])CC1 ZINC001579484616 986010714 /nfs/dbraw/zinc/01/07/14/986010714.db2.gz DSLXLIJNGHCJAE-NWDGAFQWSA-N 2 0 226.364 1.208 20 0 BDADRP Cc1c[nH]c(=O)c(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC001579543653 986076002 /nfs/dbraw/zinc/07/60/02/986076002.db2.gz FJEIDVSHPLMNCT-VXGBXAGGSA-N 2 0 235.331 1.455 20 0 BDADRP Cc1c[nH]c(=O)c(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC001579543650 986077328 /nfs/dbraw/zinc/07/73/28/986077328.db2.gz FJEIDVSHPLMNCT-NEPJUHHUSA-N 2 0 235.331 1.455 20 0 BDADRP Cc1cc(CNC[C@]23CCC[C@H]2[NH2+]CC3)n(C)n1 ZINC001579600798 986119659 /nfs/dbraw/zinc/11/96/59/986119659.db2.gz FJJSZHMCIQOLSP-ZIAGYGMSSA-N 2 0 248.374 1.350 20 0 BDADRP CCC[NH+]1CCC([N@@H+]2CCC[C@@H](OC)C2)CC1 ZINC001258771748 986156198 /nfs/dbraw/zinc/15/61/98/986156198.db2.gz SDSKHRQXKQRSFY-CQSZACIVSA-N 2 0 240.391 1.972 20 0 BDADRP Cc1ccc(CC[NH2+][C@H]2C[C@H]([NH3+])C2)cc1C ZINC001579688437 986180637 /nfs/dbraw/zinc/18/06/37/986180637.db2.gz XNLVVTSVYFRWGJ-HDJSIYSDSA-N 2 0 218.344 1.925 20 0 BDADRP Cc1ccc(CC[NH2+]C2CC3(C[C@@H]3[NH3+])C2)nc1 ZINC001579688516 986181720 /nfs/dbraw/zinc/18/17/20/986181720.db2.gz ZIDCNKSMDXWZMO-MOKVOYLWSA-N 2 0 231.343 1.402 20 0 BDADRP Cc1ccc(C[C@@H](C)[NH2+]C[C@]2(O)CC[NH2+]C2)cc1 ZINC001579684735 986181880 /nfs/dbraw/zinc/18/18/80/986181880.db2.gz QVSKFKBDVYEDMW-HIFRSBDPSA-N 2 0 248.370 1.240 20 0 BDADRP COCC(C)(C)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001461829116 986189099 /nfs/dbraw/zinc/18/90/99/986189099.db2.gz KTWUGHDCQMHURJ-FRRDWIJNSA-N 2 0 240.391 1.589 20 0 BDADRP Cc1ccc(O)c(C[NH2+]CC2CC[NH2+]CC2)n1 ZINC001579723264 986196186 /nfs/dbraw/zinc/19/61/86/986196186.db2.gz HBGLQGIRLRLZRI-UHFFFAOYSA-N 2 0 235.331 1.185 20 0 BDADRP Cc1ccc([C@H](O)C[NH2+]C2CC3(C[C@H]3[NH3+])C2)cc1 ZINC001579734363 986196858 /nfs/dbraw/zinc/19/68/58/986196858.db2.gz GELFNMGPMKLVGJ-PIOWNMBXSA-N 2 0 246.354 1.498 20 0 BDADRP CNc1ccccc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC001461944114 986242135 /nfs/dbraw/zinc/24/21/35/986242135.db2.gz WTIYUBXSBGBITJ-CHWSQXEVSA-N 2 0 231.343 1.380 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@]2(C)CCO[C@H]2C)CC1 ZINC001462079829 986275933 /nfs/dbraw/zinc/27/59/33/986275933.db2.gz KCQZMMXJKCPSMQ-GXTWGEPZSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1ncccc1CC[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001579881429 986295884 /nfs/dbraw/zinc/29/58/84/986295884.db2.gz DWMZNLSEHWYASC-CYBMUJFWSA-N 2 0 233.359 1.522 20 0 BDADRP Cc1ncsc1CCC[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC001579888159 986303886 /nfs/dbraw/zinc/30/38/86/986303886.db2.gz QSWLWMVHAJPOQC-NSHDSACASA-N 2 0 239.388 1.665 20 0 BDADRP Cn1c(C[NH2+]C[C@H]2CC[C@@H]([NH3+])C2)cnc1Cl ZINC001579945806 986358834 /nfs/dbraw/zinc/35/88/34/986358834.db2.gz YRLYWIPUVDLFIK-DTWKUNHWSA-N 2 0 242.754 1.291 20 0 BDADRP Cn1cncc1C[N@@H+]1C[C@@H]2CCCC[C@]2(C[NH3+])C1 ZINC001579986083 986386856 /nfs/dbraw/zinc/38/68/56/986386856.db2.gz QTHZAXVMSXOQDX-JSGCOSHPSA-N 2 0 248.374 1.371 20 0 BDADRP Cn1nc(C[NH2+]C2CC3(C[C@H]3[NH3+])C2)cc1C1CC1 ZINC001579994587 986395164 /nfs/dbraw/zinc/39/51/64/986395164.db2.gz ZWGNFFHPBSHLKZ-HRDQMINSSA-N 2 0 246.358 1.267 20 0 BDADRP C[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC001261492909 986513423 /nfs/dbraw/zinc/51/34/23/986513423.db2.gz ACISSXWAQYNKQR-IJLUTSLNSA-N 2 0 241.379 1.138 20 0 BDADRP C[C@@H](O)[C@H](C)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC001262491801 986558916 /nfs/dbraw/zinc/55/89/16/986558916.db2.gz PHPOVEZRVPYIJA-MRFVTOPCSA-N 2 0 240.391 1.752 20 0 BDADRP [NH3+]CCC1CCC([NH2+][C@@H]2CCCOC2)CC1 ZINC001254369573 986600444 /nfs/dbraw/zinc/60/04/44/986600444.db2.gz ITEMOIVKUBJSJR-WXRRBKDZSA-N 2 0 226.364 1.663 20 0 BDADRP [NH3+]C1(C[NH2+][C@H]2CC[C@@H]3CCC[C@@H]32)CCOCC1 ZINC001580152294 986621505 /nfs/dbraw/zinc/62/15/05/986621505.db2.gz DQXNIGPTORTSFZ-AVGNSLFASA-N 2 0 238.375 1.663 20 0 BDADRP [NH3+][C@H]1CC12CC([NH2+]Cc1ncccc1F)C2 ZINC001580165541 986636942 /nfs/dbraw/zinc/63/69/42/986636942.db2.gz MBESAIMSKHDZAP-HBWJCNCUSA-N 2 0 221.279 1.190 20 0 BDADRP [NH3+][C@H]1CC12CC([NH2+][C@@H]1CCCn3nccc31)C2 ZINC001580167209 986641467 /nfs/dbraw/zinc/64/14/67/986641467.db2.gz VSBYSULJJDKWQK-FYLGKEKYSA-N 2 0 232.331 1.187 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+]Cc1ccc(CO)cc1)C2 ZINC001580166057 986644177 /nfs/dbraw/zinc/64/41/77/986644177.db2.gz OSIKTSNVZSKXBR-ROKHWSDSSA-N 2 0 232.327 1.148 20 0 BDADRP [NH3+]C1CC([NH2+][C@@H]2CCC[C@]23CCCO3)C1 ZINC001580165905 986644608 /nfs/dbraw/zinc/64/46/08/986644608.db2.gz NSMYWPDBLNLQLJ-HCWSGVFWSA-N 2 0 210.321 1.167 20 0 BDADRP [NH3+]C[C@@]12C[N@H+](CCc3cn[nH]c3)C[C@H]1CCCC2 ZINC001580256691 986712300 /nfs/dbraw/zinc/71/23/00/986712300.db2.gz WYMBXYUZQYLQHQ-KGLIPLIRSA-N 2 0 248.374 1.403 20 0 BDADRP [NH3+]C[C@H]1CC[C@@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2O)C1 ZINC001580260584 986714139 /nfs/dbraw/zinc/71/41/39/986714139.db2.gz PZQBWFZUMSDJRA-QMGNLALYSA-N 2 0 246.354 1.362 20 0 BDADRP [NH3+]CCC1CC([NH2+][C@@H]2C[C@@H]3CC[C@H]2O3)C1 ZINC001580286298 986730687 /nfs/dbraw/zinc/73/06/87/986730687.db2.gz CGVSBWDQVNYNHI-JEDMMJBGSA-N 2 0 210.321 1.023 20 0 BDADRP [NH3+]CC[C@@H](O)C[N@H+](CCC1CC1)CC1CC1 ZINC001580284963 986733348 /nfs/dbraw/zinc/73/33/48/986733348.db2.gz YXCYKKCWDFAAGG-CYBMUJFWSA-N 2 0 226.364 1.208 20 0 BDADRP [NH3+]CCCN(CC1C[NH2+]C1)c1cccc(F)c1 ZINC001580297402 986739409 /nfs/dbraw/zinc/73/94/09/986739409.db2.gz PXVWWMHAUGHFJO-UHFFFAOYSA-N 2 0 237.322 1.200 20 0 BDADRP [NH3+]CCCCCC[NH2+][C@@H]1C[C@@H]2COC[C@H]12 ZINC001580293245 986739551 /nfs/dbraw/zinc/73/95/51/986739551.db2.gz HYESQUDBUBCUDH-GRYCIOLGSA-N 2 0 212.337 1.130 20 0 BDADRP [NH3+]CCN1CCC([NH2+][C@@H]2CCCC[C@H]2F)CC1 ZINC001580310227 986743151 /nfs/dbraw/zinc/74/31/51/986743151.db2.gz IJZYIPWNDKENQP-CHWSQXEVSA-N 2 0 243.370 1.280 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+]Cc2ccc(Cl)nn2)C1 ZINC001580389516 986813939 /nfs/dbraw/zinc/81/39/39/986813939.db2.gz LZNUUIXRYLAZLX-DTWKUNHWSA-N 2 0 240.738 1.347 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H](c2ncccn2)C2CC2)C1 ZINC001580389917 986816728 /nfs/dbraw/zinc/81/67/28/986816728.db2.gz XDVDXIHTNYGMMJ-CYZMBNFOSA-N 2 0 246.358 1.645 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]C2CCC3(CCCO3)CC2)C1 ZINC001580430560 986847608 /nfs/dbraw/zinc/84/76/08/986847608.db2.gz RJOSZISKOSYCCR-RUXNMCCTSA-N 2 0 224.348 1.558 20 0 BDADRP Nc1c(F)cccc1C[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC001580432225 986850780 /nfs/dbraw/zinc/85/07/80/986850780.db2.gz HMTJTRIJDVQUKL-GXSJLCMTSA-N 2 0 237.322 1.625 20 0 BDADRP Nc1ncccc1C[NH2+]C1CC2(CC([NH3+])C2)C1 ZINC001580472693 986869529 /nfs/dbraw/zinc/86/95/29/986869529.db2.gz VJMOXBNDKCZWFN-UHFFFAOYSA-N 2 0 232.331 1.023 20 0 BDADRP Nc1ncccc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC001580472517 986869833 /nfs/dbraw/zinc/86/98/33/986869833.db2.gz LLWVIFVTSPQYGN-GHMZBOCLSA-N 2 0 220.320 1.023 20 0 BDADRP C[NH+]1CCC2(CC[N@@H+]([C@H]3CCSC3)C2)CC1 ZINC001255289676 986889803 /nfs/dbraw/zinc/88/98/03/986889803.db2.gz AFSRDKNYAHQUSE-LBPRGKRZSA-N 2 0 240.416 1.910 20 0 BDADRP C[N@@H+]1CCC[C@@H](N2CC([NH+]3CCCCC3)C2)C1 ZINC001255488824 986990892 /nfs/dbraw/zinc/99/08/92/986990892.db2.gz HURLNGOEERCVEY-CYBMUJFWSA-N 2 0 237.391 1.251 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]CC1(CO)CCC1 ZINC001255942388 987078343 /nfs/dbraw/zinc/07/83/43/987078343.db2.gz FQTXXJSOHTZUSY-ZDUSSCGKSA-N 2 0 242.407 1.859 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]CCC(C)(C)O ZINC001255945878 987082594 /nfs/dbraw/zinc/08/25/94/987082594.db2.gz OLKJODSMZUUQIA-LBPRGKRZSA-N 2 0 230.396 1.857 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[N@@H+]1C[C@H](O)C[C@H]1C ZINC001255955729 987099634 /nfs/dbraw/zinc/09/96/34/987099634.db2.gz DBFAPAASYGHHGF-JHJVBQTASA-N 2 0 228.380 1.562 20 0 BDADRP CCC[C@H](O)C[NH2+]C[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001245974803 987249675 /nfs/dbraw/zinc/24/96/75/987249675.db2.gz NXIPJEWJWLMZML-SRVKXCTJSA-N 2 0 214.353 1.125 20 0 BDADRP CCCC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC001245982555 987258028 /nfs/dbraw/zinc/25/80/28/987258028.db2.gz FZFOVUUWWUSBQK-UTUOFQBUSA-N 2 0 214.353 1.397 20 0 BDADRP CCCC[C@H](O)C[NH2+]C[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001245995086 987280819 /nfs/dbraw/zinc/28/08/19/987280819.db2.gz SOZSAEOJKVBVDF-AVGNSLFASA-N 2 0 228.380 1.373 20 0 BDADRP CCC[C@@H](O)C[NH2+][C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001246002559 987284380 /nfs/dbraw/zinc/28/43/80/987284380.db2.gz UIYDIFVUPLAIAO-UPJWGTAASA-N 2 0 226.364 1.541 20 0 BDADRP CCCCC[C@H](O)C[NH2+]CC[C@H](C)[NH3+] ZINC001246000038 987285013 /nfs/dbraw/zinc/28/50/13/987285013.db2.gz KNSCZNUADDTEPP-QWRGUYRKSA-N 2 0 202.342 1.255 20 0 BDADRP CCCCC[C@@H](O)CN1CC[C@](C)([NH3+])C1 ZINC001246014856 987296452 /nfs/dbraw/zinc/29/64/52/987296452.db2.gz SIVMVVLSWMSRNR-NEPJUHHUSA-N 2 0 214.353 1.351 20 0 BDADRP C[C@H](O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000692950604 987298506 /nfs/dbraw/zinc/29/85/06/987298506.db2.gz SGVWJRNMKBWVSV-AAEUAGOBSA-N 2 0 226.364 1.079 20 0 BDADRP CC(C)(O)C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246020991 987300372 /nfs/dbraw/zinc/30/03/72/987300372.db2.gz KUCAJCJAEFRJTN-LBPRGKRZSA-N 2 0 214.353 1.208 20 0 BDADRP CCC[C@@H](O)C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246019123 987305627 /nfs/dbraw/zinc/30/56/27/987305627.db2.gz HIOOELRLRBHMBD-VXGBXAGGSA-N 2 0 214.353 1.351 20 0 BDADRP CCC[C@@H](O)C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246022115 987307300 /nfs/dbraw/zinc/30/73/00/987307300.db2.gz OWPOJPBODHRCSU-CHWSQXEVSA-N 2 0 228.380 1.598 20 0 BDADRP CCC[C@H](O)C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246020753 987307711 /nfs/dbraw/zinc/30/77/11/987307711.db2.gz LSMZBBRCHVRZRU-NWDGAFQWSA-N 2 0 232.343 1.300 20 0 BDADRP CCC[C@H](O)C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246019121 987309038 /nfs/dbraw/zinc/30/90/38/987309038.db2.gz HIOOELRLRBHMBD-NWDGAFQWSA-N 2 0 214.353 1.351 20 0 BDADRP CCCC[C@H](O)C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246022034 987312583 /nfs/dbraw/zinc/31/25/83/987312583.db2.gz PCKVBWHPJGMMAP-STQMWFEESA-N 2 0 246.370 1.690 20 0 BDADRP COCCCC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693705057 987313050 /nfs/dbraw/zinc/31/30/50/987313050.db2.gz MUJOUHVIMIDARD-XQQFMLRXSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@H](Cc1ccccn1)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000694054253 987320840 /nfs/dbraw/zinc/32/08/40/987320840.db2.gz FZHZPYQEOKRFGZ-XBFCOCLRSA-N 2 0 245.370 1.872 20 0 BDADRP CCOCC[N@H+](CC)C[C@H]1CCCC[NH2+]C1 ZINC000697054819 987346510 /nfs/dbraw/zinc/34/65/10/987346510.db2.gz GZDNWKGXOSASMB-ZDUSSCGKSA-N 2 0 228.380 1.735 20 0 BDADRP CO[C@@H]1CC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000697039166 987346723 /nfs/dbraw/zinc/34/67/23/987346723.db2.gz DAYCUXMOWSNTJB-NWDGAFQWSA-N 2 0 212.337 1.097 20 0 BDADRP CCC[C@H](O)C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001246059113 987351164 /nfs/dbraw/zinc/35/11/64/987351164.db2.gz ICXCHZKQUCHEMP-AVGNSLFASA-N 2 0 226.364 1.221 20 0 BDADRP CC1CCC([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246064495 987352580 /nfs/dbraw/zinc/35/25/80/987352580.db2.gz GOIOPBIQEVZLAB-BPCQOVAHSA-N 2 0 237.391 1.249 20 0 BDADRP CC1(C)C[C@@H]([NH2+]CC2([NH3+])CCCC2)CO1 ZINC001246074055 987363236 /nfs/dbraw/zinc/36/32/36/987363236.db2.gz BQSJGTJYPOSTGV-SNVBAGLBSA-N 2 0 212.337 1.415 20 0 BDADRP [NH3+]C[C@@H](N[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC001246074261 987364801 /nfs/dbraw/zinc/36/48/01/987364801.db2.gz BXPIMKJKBVCRKJ-CHWSQXEVSA-N 2 0 219.332 1.028 20 0 BDADRP C[C@H](CC[NH2+]C[C@H]1CCCOC1)[NH+](C)C ZINC000697890548 987366324 /nfs/dbraw/zinc/36/63/24/987366324.db2.gz OJPGWABSMXGORX-VXGBXAGGSA-N 2 0 214.353 1.343 20 0 BDADRP CCOCC[C@@H](C)[NH2+]C1CC[NH2+]CC1 ZINC001246077783 987367703 /nfs/dbraw/zinc/36/77/03/987367703.db2.gz KGBHXAFYZNABPD-SNVBAGLBSA-N 2 0 200.326 1.143 20 0 BDADRP CCOC(=O)CC[C@@H](C)[NH2+]C1CC[NH2+]CC1 ZINC001246077737 987369260 /nfs/dbraw/zinc/36/92/60/987369260.db2.gz KAVWODJHYBFHOY-SNVBAGLBSA-N 2 0 228.336 1.060 20 0 BDADRP CCOCC[C@H](C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246090658 987375138 /nfs/dbraw/zinc/37/51/38/987375138.db2.gz LOLHBSHSICMXRF-RYUDHWBXSA-N 2 0 214.353 1.533 20 0 BDADRP C1CC2(C1)C[C@H](N[C@H]1CCCC[NH2+]C1)CC[NH2+]2 ZINC001246088961 987390024 /nfs/dbraw/zinc/39/00/24/987390024.db2.gz ADPHSHHCIMODIP-OLZOCXBDSA-N 2 0 237.391 1.393 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@H]2CCNC[C@H]2F)CC1 ZINC001246088848 987390440 /nfs/dbraw/zinc/39/04/40/987390440.db2.gz YBGOXPTYOOWSDI-TUUUFIMRSA-N 2 0 243.370 1.149 20 0 BDADRP COC(=O)CC[C@H](C)[NH2+]C[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246089402 987395378 /nfs/dbraw/zinc/39/53/78/987395378.db2.gz CUGLZIUCMOGRMQ-SDDRHHMPSA-N 2 0 242.363 1.306 20 0 BDADRP CC[C@H]1CC[C@H]([NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)C1 ZINC001246089390 987395421 /nfs/dbraw/zinc/39/54/21/987395421.db2.gz PNNUVZNVPPVEHU-ZDEQEGDKSA-N 2 0 244.354 1.217 20 0 BDADRP CCOC(=O)CC(C)(C)[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246090787 987397254 /nfs/dbraw/zinc/39/72/54/987397254.db2.gz ZNLXQAMEMVBISM-WDEREUQCSA-N 2 0 242.363 1.448 20 0 BDADRP C[C@@H](Cc1ccccn1)[NH2+]C[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246095638 987404279 /nfs/dbraw/zinc/40/42/79/987404279.db2.gz LLINLWQTTKOSSB-HZSPNIEDSA-N 2 0 247.386 1.990 20 0 BDADRP C[C@@H]1CC[C@H](CN[C@@H]2CC[NH2+][C@H](C)C2)C[NH2+]1 ZINC001246096840 987409113 /nfs/dbraw/zinc/40/91/13/987409113.db2.gz NAYSBABUHDRKKL-FVCCEPFGSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@H]1CC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[NH2+]1 ZINC001246096923 987409404 /nfs/dbraw/zinc/40/94/04/987409404.db2.gz NQTLJYBKYBTLJR-IZXDZPFWSA-N 2 0 237.391 1.247 20 0 BDADRP CC[NH+]1CCC(NC[C@H]2C[NH2+]C[C@@H](C)C2)CC1 ZINC001246096244 987409698 /nfs/dbraw/zinc/40/96/98/987409698.db2.gz DQRGUPDNTJZSMX-QWHCGFSZSA-N 2 0 239.407 1.306 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC3(C[NH2+]C3)C2)C[NH2+]1 ZINC001246097339 987410622 /nfs/dbraw/zinc/41/06/22/987410622.db2.gz NVOUVLZHQXCHNW-FRRDWIJNSA-N 3 0 237.391 1.106 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCCOCC2)C[NH2+]1 ZINC001246099426 987417577 /nfs/dbraw/zinc/41/75/77/987417577.db2.gz QZFHMWAAMXFTMW-JHJVBQTASA-N 2 0 226.364 1.533 20 0 BDADRP CCOCC[C@H](C)[NH2+]C[C@@H]1CC[C@@H](C)C[NH2+]1 ZINC001246104051 987427172 /nfs/dbraw/zinc/42/71/72/987427172.db2.gz INPNRVJABCJRIW-AGIUHOORSA-N 2 0 228.380 1.779 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCO[C@H](C)C2)C[NH2+]1 ZINC001246104156 987427249 /nfs/dbraw/zinc/42/72/49/987427249.db2.gz ZXIRGZABXZPKCP-FVCCEPFGSA-N 2 0 226.364 1.532 20 0 BDADRP CC(C)[C@@H]1C[C@H](N[C@@H]2C[NH2+]CC[C@H]2C)CC[NH2+]1 ZINC001246103069 987427990 /nfs/dbraw/zinc/42/79/90/987427990.db2.gz SPTMQABKVNIHCT-YIYPIFLZSA-N 2 0 239.407 1.351 20 0 BDADRP C[C@@H]1CC[C@@H](CNC2C[C@@H](C)[NH2+][C@H](C)C2)[NH2+]C1 ZINC001246104036 987428095 /nfs/dbraw/zinc/42/80/95/987428095.db2.gz IJSHOOPATNJRND-LPWJVIDDSA-N 2 0 239.407 1.493 20 0 BDADRP C[C@H]1[NH2+]CC[C@H]1N[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246103906 987428734 /nfs/dbraw/zinc/42/87/34/987428734.db2.gz YXWGHYKFPAYHHB-YVECIDJPSA-N 2 0 239.407 1.493 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+][C@H]2C)CCO1 ZINC001246105711 987432427 /nfs/dbraw/zinc/43/24/27/987432427.db2.gz CFZPLKIIQONHBH-IGQOVBAYSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)[NH2+]C1 ZINC001246105647 987433005 /nfs/dbraw/zinc/43/30/05/987433005.db2.gz NFZHABCQCFUHIY-NAWOPXAZSA-N 2 0 208.349 1.763 20 0 BDADRP C[NH2+]C1CCC([NH2+]C[C@H]2CC[C@@H](C)C[NH2+]2)CC1 ZINC001246107422 987435830 /nfs/dbraw/zinc/43/58/30/987435830.db2.gz GTJZIVFDLIOTOP-BLYZHGLHSA-N 3 0 239.407 1.495 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246108063 987436602 /nfs/dbraw/zinc/43/66/02/987436602.db2.gz BVLBOLLZIJCMSK-XHJNMGKDSA-N 2 0 237.391 1.105 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1C[NH2+][C@H]1CCCSC1 ZINC001246109793 987442304 /nfs/dbraw/zinc/44/23/04/987442304.db2.gz HACDRABCEUFTDW-WOPDTQHZSA-N 2 0 228.405 1.717 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1C[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001246109773 987442663 /nfs/dbraw/zinc/44/26/63/987442663.db2.gz GYBKPJZVZIJIEK-LBELIVKGSA-N 2 0 208.349 1.620 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC2CC[NH2+]CC2)CC[NH2+]1 ZINC001246112400 987444633 /nfs/dbraw/zinc/44/46/33/987444633.db2.gz SFLFPXDBOMHRCL-DGCLKSJQSA-N 2 0 225.380 1.106 20 0 BDADRP CC[C@@H]1C[C@H](NC[C@@H]2CCC[NH2+][C@@H]2C)CC[NH2+]1 ZINC001246111414 987444728 /nfs/dbraw/zinc/44/47/28/987444728.db2.gz OAWZHWAXKCYILH-XJFOESAGSA-N 3 0 239.407 1.495 20 0 BDADRP C[C@@H]1CC[C@@H](N2C[C@H]([NH3+])Cc3ccccc32)C[NH2+]1 ZINC001246112288 987446051 /nfs/dbraw/zinc/44/60/51/987446051.db2.gz GDGKSDMFFOQDJV-MRVWCRGKSA-N 2 0 245.370 1.517 20 0 BDADRP C[NH2+]CC[C@@H](C)NC[C@]1(F)CCCC[NH2+]C1 ZINC001246110512 987446897 /nfs/dbraw/zinc/44/68/97/987446897.db2.gz IMDNOXBKXQOREY-NEPJUHHUSA-N 2 0 231.359 1.056 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246114160 987449502 /nfs/dbraw/zinc/44/95/02/987449502.db2.gz UTVLQYILWGJMMA-MGPQQGTHSA-N 3 0 239.407 1.354 20 0 BDADRP [NH3+][C@@H]1Cc2ccccc2N([C@@H]2CCC[NH2+]C2)C1 ZINC001246113080 987449820 /nfs/dbraw/zinc/44/98/20/987449820.db2.gz IMIYOGFNRWISNF-CHWSQXEVSA-N 2 0 231.343 1.128 20 0 BDADRP CC(C)[C@H]1C[C@@H](N[C@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC001246115105 987455350 /nfs/dbraw/zinc/45/53/50/987455350.db2.gz GHFZKZPOHATRKE-MELADBBJSA-N 2 0 239.407 1.495 20 0 BDADRP COC(=O)CC[C@H](C)[NH2+]C[C@H]1C[NH2+]CC[C@@H]1C ZINC001246117284 987460355 /nfs/dbraw/zinc/46/03/55/987460355.db2.gz YWSWLKPFDGGABV-SDDRHHMPSA-N 2 0 242.363 1.163 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1COC(C)(C)C1 ZINC001246118012 987462853 /nfs/dbraw/zinc/46/28/53/987462853.db2.gz DUBCJCGSPQBKCD-UTUOFQBUSA-N 2 0 226.364 1.389 20 0 BDADRP CCCC[C@@H](CCC)[NH2+]CCN1CC[NH2+]CC1 ZINC001246120012 987462921 /nfs/dbraw/zinc/46/29/21/987462921.db2.gz JCIBAHMISRKQOT-CQSZACIVSA-N 2 0 241.423 1.840 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC001246118662 987464171 /nfs/dbraw/zinc/46/41/71/987464171.db2.gz HVCNSPWYBJPERW-YVECIDJPSA-N 2 0 226.364 1.389 20 0 BDADRP CC(C)(C)[C@@H]1C[C@H](N[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246121614 987469581 /nfs/dbraw/zinc/46/95/81/987469581.db2.gz BYUQPNWRCOJOLQ-AGIUHOORSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC3(C2)CC[NH2+]CC3)C[NH2+]1 ZINC001246123491 987470887 /nfs/dbraw/zinc/47/08/87/987470887.db2.gz APUMSRVPVJLHCY-UPJWGTAASA-N 3 0 237.391 1.249 20 0 BDADRP CC(C)(C)[C@H]1C[C@@H](NC2(C)C[NH2+]C2)CC[NH2+]1 ZINC001246125158 987470947 /nfs/dbraw/zinc/47/09/47/987470947.db2.gz YGCJTLOLVNMKRK-WDEREUQCSA-N 2 0 225.380 1.105 20 0 BDADRP C1[NH2+]C[C@H]2CCC[C@H](N[C@@H]3CCCC[NH2+]C3)[C@@H]12 ZINC001246128946 987476196 /nfs/dbraw/zinc/47/61/96/987476196.db2.gz CLCDTOXEMKPITM-MQYQWHSLSA-N 2 0 237.391 1.106 20 0 BDADRP C[C@H]1C[C@@H](N(CC[NH3+])Cc2ccccc2)CC[NH2+]1 ZINC001246132510 987482207 /nfs/dbraw/zinc/48/22/07/987482207.db2.gz YPJXPCBPKKATLC-ZFWWWQNUSA-N 2 0 247.386 1.588 20 0 BDADRP C[C@@H]1CC[C@H](N[C@@]23CCC[C@@H]2[NH2+]CC3)C[NH2+]1 ZINC001246135158 987489060 /nfs/dbraw/zinc/48/90/60/987489060.db2.gz PWGNHGXMROXHAO-MROQNXINSA-N 2 0 223.364 1.001 20 0 BDADRP CCCC[N@H+](CC)CCN[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246161343 987522255 /nfs/dbraw/zinc/52/22/55/987522255.db2.gz JRBORJVROXJCBX-ZIAGYGMSSA-N 2 0 241.423 1.839 20 0 BDADRP C[C@@H]1CC[C@@H](NCC[NH2+]Cc2ccccc2)C[NH2+]1 ZINC001246165132 987527416 /nfs/dbraw/zinc/52/74/16/987527416.db2.gz GMOGLXORJCYICP-UKRRQHHQSA-N 2 0 247.386 1.506 20 0 BDADRP [NH2+]=C(NC1CC[NH2+]CC1)c1ccc(Cl)nc1 ZINC001246175820 987543335 /nfs/dbraw/zinc/54/33/35/987543335.db2.gz MZZBWUHATRAPNL-UHFFFAOYSA-N 2 0 238.722 1.402 20 0 BDADRP Cc1cnc(CC[NH3+])n1[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246176030 987543581 /nfs/dbraw/zinc/54/35/81/987543581.db2.gz JXTRRCMHSPHOHO-GXSJLCMTSA-N 2 0 222.336 1.006 20 0 BDADRP Cc1ncn([C@@H]2CC[C@@H](C)[NH2+]C2)c1CC[NH3+] ZINC001246175761 987544793 /nfs/dbraw/zinc/54/47/93/987544793.db2.gz AXSMISAHVWUBHH-MWLCHTKSSA-N 2 0 222.336 1.006 20 0 BDADRP CCCC[N@H+](C)CCCN[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246183104 987552218 /nfs/dbraw/zinc/55/22/18/987552218.db2.gz DGCUZLBZRFDHPK-ZIAGYGMSSA-N 2 0 241.423 1.839 20 0 BDADRP CC[C@@H]1C[C@H](NC[C@H]2CCC[NH2+]2)C[C@H](CC)[NH2+]1 ZINC001246185997 987561472 /nfs/dbraw/zinc/56/14/72/987561472.db2.gz CYSSONGYVXUSFR-RQJABVFESA-N 2 0 239.407 1.637 20 0 BDADRP CC(C)[C@H]1C[C@H](NC[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC001246187232 987565487 /nfs/dbraw/zinc/56/54/87/987565487.db2.gz MZJHRPDVJAFKDA-JHJVBQTASA-N 2 0 225.380 1.105 20 0 BDADRP CCOC(=O)C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246191982 987578479 /nfs/dbraw/zinc/57/84/79/987578479.db2.gz CTIUHXMQCMSPSR-YIBTVLSRSA-N 2 0 240.347 1.201 20 0 BDADRP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)n1C ZINC001246199684 987594242 /nfs/dbraw/zinc/59/42/42/987594242.db2.gz ZBWPVRSNJSWEQH-FUNVUKJBSA-N 2 0 233.359 1.706 20 0 BDADRP CC[NH+](CC)CC[C@H](C)NC[C@H]1CCC[NH2+]C1 ZINC001246201018 987594294 /nfs/dbraw/zinc/59/42/94/987594294.db2.gz UDKUPUFIUITXLB-KBPBESRZSA-N 2 0 241.423 1.696 20 0 BDADRP [NH3+][C@H]1CC[C@@H](CC[NH2+][C@@H]2CCCC[NH2+]C2)CC1 ZINC001246202399 987599463 /nfs/dbraw/zinc/59/94/63/987599463.db2.gz OMJDFZWCEKZROK-HZSPNIEDSA-N 3 0 239.407 1.626 20 0 BDADRP C[NH2+]C1CCC([NH2+]C[C@H]2CCC[NH2+]C2)CC1 ZINC001246201704 987600721 /nfs/dbraw/zinc/60/07/21/987600721.db2.gz WWZFGKOQGMTKNR-HIFPTAJRSA-N 3 0 225.380 1.106 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC001246207167 987604702 /nfs/dbraw/zinc/60/47/02/987604702.db2.gz XBFLSVBUTRCPKP-FDYHWXHSSA-N 2 0 226.364 1.804 20 0 BDADRP NC(=[NH2+])N(c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001246210521 987606816 /nfs/dbraw/zinc/60/68/16/987606816.db2.gz FMUHZQDHEFKADI-UHFFFAOYSA-N 2 0 236.294 1.278 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2(C)CC[NH2+]CC2)CC[NH2+]1 ZINC001246210223 987607246 /nfs/dbraw/zinc/60/72/46/987607246.db2.gz IWYJCIXOGGLHMY-VXGBXAGGSA-N 3 0 225.380 1.106 20 0 BDADRP CCCC[C@H](C)[NH2+]C1CN(C2CC[NH2+]CC2)C1 ZINC001246214526 987609813 /nfs/dbraw/zinc/60/98/13/987609813.db2.gz IRNITVAOSMNZBI-LBPRGKRZSA-N 2 0 239.407 1.591 20 0 BDADRP CCCC[C@H](CO)[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246212615 987611638 /nfs/dbraw/zinc/61/16/38/987611638.db2.gz VZBPKWIJDXLMLG-QJPTWQEYSA-N 2 0 214.353 1.268 20 0 BDADRP CCC[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246226771 987621971 /nfs/dbraw/zinc/62/19/71/987621971.db2.gz BQQKHMSZMNBDMA-PSIUFMSWSA-N 2 0 212.337 1.020 20 0 BDADRP [NH3+]CC[C@H]1CN(C2CC[NH2+]CC2)c2ccccc21 ZINC001246226181 987623556 /nfs/dbraw/zinc/62/35/56/987623556.db2.gz AFUCUCLLELHJTF-LBPRGKRZSA-N 2 0 245.370 1.691 20 0 BDADRP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](O)CC2)CC[NH2+]1 ZINC001246231236 987630126 /nfs/dbraw/zinc/63/01/26/987630126.db2.gz PBWNDLQJLXEMIG-NNYUYHANSA-N 2 0 212.337 1.020 20 0 BDADRP CC[C@H](C)C[C@H](C)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246235302 987631076 /nfs/dbraw/zinc/63/10/76/987631076.db2.gz YZYAQHZWIKEAPI-RWMBFGLXSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H]1CC[C@H](N(C(N)=[NH2+])c2ccccc2)C[NH2+]1 ZINC001246234514 987631751 /nfs/dbraw/zinc/63/17/51/987631751.db2.gz ILFVZPHGBOQMLS-PWSUYJOCSA-N 2 0 232.331 1.527 20 0 BDADRP CO[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246234487 987632032 /nfs/dbraw/zinc/63/20/32/987632032.db2.gz DTXYIQQELQZLPQ-SQQWKPQLSA-N 2 0 238.375 1.817 20 0 BDADRP C[C@H]1C[C@@H](N[C@H]2CCCC[C@@H]2[NH+](C)C)CC[NH2+]1 ZINC001246235141 987633225 /nfs/dbraw/zinc/63/32/25/987633225.db2.gz IYKRAHFEQCHQRH-XUXIUFHCSA-N 2 0 239.407 1.589 20 0 BDADRP CC[C@@H]1CC(NC2(CC)C[NH2+]C2)C[C@@H](CC)[NH2+]1 ZINC001246236154 987634776 /nfs/dbraw/zinc/63/47/76/987634776.db2.gz MPVVKGVJNOZBBZ-VXGBXAGGSA-N 2 0 239.407 1.637 20 0 BDADRP C(C[C@H]1CCCC[NH2+]1)N[C@@H]1CCCC[NH2+]C1 ZINC001246242853 987641540 /nfs/dbraw/zinc/64/15/40/987641540.db2.gz HKXLJFXSKDOGKT-CHWSQXEVSA-N 2 0 225.380 1.250 20 0 BDADRP O[C@@H](C[NH2+]C1CC[NH2+]CC1)c1ccccc1F ZINC001246241624 987642481 /nfs/dbraw/zinc/64/24/81/987642481.db2.gz UHIWSCGHURSZPX-ZDUSSCGKSA-N 2 0 238.306 1.201 20 0 BDADRP CC(C)(C[NH3+])CN[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246250743 987650298 /nfs/dbraw/zinc/65/02/98/987650298.db2.gz RNWHBZAYPMYZJX-NEPJUHHUSA-N 3 0 241.423 1.728 20 0 BDADRP C[C@H]1CC[C@@H](N[C@@H](C[NH3+])Cc2ccccc2)C[NH2+]1 ZINC001246262622 987658362 /nfs/dbraw/zinc/65/83/62/987658362.db2.gz BPIMMTDXMBBMGG-NWANDNLSSA-N 2 0 247.386 1.287 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCc2ccccc2O)CC[NH2+]1 ZINC001246267646 987661568 /nfs/dbraw/zinc/66/15/68/987661568.db2.gz VDMIYQUPNUGVPE-WCQYABFASA-N 2 0 234.343 1.665 20 0 BDADRP C[C@@H]1CC[C@H](NC(C)(C)CC[NH+](C)C)C[NH2+]1 ZINC001246268968 987663369 /nfs/dbraw/zinc/66/33/69/987663369.db2.gz XTHHMKZMVSEXCC-NEPJUHHUSA-N 2 0 227.396 1.447 20 0 BDADRP CC(C)([NH3+])CCN[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246269930 987663495 /nfs/dbraw/zinc/66/34/95/987663495.db2.gz CISBGCJQVDALRH-NEPJUHHUSA-N 2 0 241.423 1.870 20 0 BDADRP CCC[NH2+]CCN[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246270371 987664587 /nfs/dbraw/zinc/66/45/87/987664587.db2.gz NYBKEMYSTOFZFQ-LBPRGKRZSA-N 2 0 225.380 1.250 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C[Si](C)(C)C)CN1 ZINC001246270944 987664877 /nfs/dbraw/zinc/66/48/77/987664877.db2.gz XBLMFHQQIBAREY-ZJUUUORDSA-N 2 0 200.402 1.594 20 0 BDADRP [NH3+]C[C@@H](Cc1ccccc1)N[C@@H]1CCCC[NH2+]C1 ZINC001246270423 987667239 /nfs/dbraw/zinc/66/72/39/987667239.db2.gz UVSGKCOWSJCZDB-HUUCEWRRSA-N 2 0 247.386 1.288 20 0 BDADRP CC(C)(C)[C@@H]1C[C@H](N[C@H]2CCC[C@H]2[NH3+])CC[NH2+]1 ZINC001246278634 987672026 /nfs/dbraw/zinc/67/20/26/987672026.db2.gz KRVKLIAYYRVWOC-NDBYEHHHSA-N 2 0 239.407 1.623 20 0 BDADRP C[C@@H]1CC[C@H](n2nnc3ccc(C[NH3+])cc32)C[NH2+]1 ZINC001246280350 987672371 /nfs/dbraw/zinc/67/23/71/987672371.db2.gz RJCKHXSBMZRWOP-KOLCDFICSA-N 2 0 245.330 1.203 20 0 BDADRP COC(=O)[C@@H]1CC[C@H](N[C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246279919 987672584 /nfs/dbraw/zinc/67/25/84/987672584.db2.gz OFKDVKFOWMWQFX-WHOHXGKFSA-N 2 0 240.347 1.058 20 0 BDADRP c1ccc2c(c1)C[NH2+][C@@H](CN[C@@H]1CCC[NH2+]C1)C2 ZINC001246277399 987673341 /nfs/dbraw/zinc/67/33/41/987673341.db2.gz IXJKOOAXLKVUJN-HUUCEWRRSA-N 2 0 245.370 1.043 20 0 BDADRP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246283011 987677931 /nfs/dbraw/zinc/67/79/31/987677931.db2.gz YDLHFUPTYDIEFY-KKOKHZNYSA-N 2 0 240.347 1.058 20 0 BDADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246283013 987679406 /nfs/dbraw/zinc/67/94/06/987679406.db2.gz YDLHFUPTYDIEFY-USZNOCQGSA-N 2 0 240.347 1.058 20 0 BDADRP CC[NH+](CC)CC[C@H](C)NCC[C@H](C)[NH3+] ZINC001246303241 987686882 /nfs/dbraw/zinc/68/68/82/987686882.db2.gz FCNOMCZCYWCNGA-RYUDHWBXSA-N 2 0 215.385 1.434 20 0 BDADRP CCCCC(CCCC)N[C@@H]1C[NH2+]C[C@H]1CO ZINC001246296726 987688653 /nfs/dbraw/zinc/68/86/53/987688653.db2.gz CIUBBYBDXDQFOV-GXTWGEPZSA-N 2 0 242.407 1.905 20 0 BDADRP CCCC[C@@H]1C[C@@H](N[C@H](C)CC[NH3+])CC[NH2+]1 ZINC001246299981 987692432 /nfs/dbraw/zinc/69/24/32/987692432.db2.gz LBSKUPMYKLZLHF-UPJWGTAASA-N 2 0 227.396 1.624 20 0 BDADRP C[C@H](CC[NH3+])N[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246300370 987696606 /nfs/dbraw/zinc/69/66/06/987696606.db2.gz NGACYALOXLAGGP-OLZOCXBDSA-N 2 0 239.407 1.768 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCOC[C@H]2C)CC[NH2+]1 ZINC001246304052 987702133 /nfs/dbraw/zinc/70/21/33/987702133.db2.gz GKTJIWQDNNDPPJ-WYUUTHIRSA-N 2 0 212.337 1.142 20 0 BDADRP CCOC(=O)CC[C@@H](C)[NH2+]C[C@@H]([NH3+])CC ZINC001246312758 987704976 /nfs/dbraw/zinc/70/49/76/987704976.db2.gz HQHSKHJNNWCOAJ-ZJUUUORDSA-N 2 0 216.325 1.045 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246309274 987708339 /nfs/dbraw/zinc/70/83/39/987708339.db2.gz JFCKSJWLHNKXFH-RNJOBUHISA-N 2 0 227.396 1.478 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)c1ccoc1 ZINC001246307644 987709274 /nfs/dbraw/zinc/70/92/74/987709274.db2.gz ZZQJLYIRIPQVKE-ZYHUDNBSSA-N 2 0 235.331 1.024 20 0 BDADRP CC[C@H](C[NH3+])N[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246309891 987711046 /nfs/dbraw/zinc/71/10/46/987711046.db2.gz BKQQHWQINMRAKJ-OLZOCXBDSA-N 2 0 239.407 1.768 20 0 BDADRP CC[C@H]([NH3+])CCN[C@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246310185 987713853 /nfs/dbraw/zinc/71/38/53/987713853.db2.gz ZNYGAXXHOJLTFB-AVGNSLFASA-N 2 0 227.396 1.480 20 0 BDADRP CCOC1CCC([NH2+]C[C@H]([NH3+])CC)CC1 ZINC001246314069 987714978 /nfs/dbraw/zinc/71/49/78/987714978.db2.gz NZOPDGHPLCXNQQ-VOMCLLRMSA-N 2 0 214.353 1.661 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCc2ncsc2C1 ZINC001246315752 987720247 /nfs/dbraw/zinc/72/02/47/987720247.db2.gz WALGUKLKOHREHR-RKDXNWHRSA-N 2 0 225.361 1.327 20 0 BDADRP CC[C@H](C[NH3+])N[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246319893 987724007 /nfs/dbraw/zinc/72/40/07/987724007.db2.gz WFPCWHUGUHPLDI-IJLUTSLNSA-N 2 0 227.396 1.480 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC001246318670 987724815 /nfs/dbraw/zinc/72/48/15/987724815.db2.gz TVLZIUILFQCSLH-NXEZZACHSA-N 2 0 200.326 1.271 20 0 BDADRP CC[C@H](C[NH3+])NC1C[C@H](CC)[NH2+][C@@H](CC)C1 ZINC001246317502 987725387 /nfs/dbraw/zinc/72/53/87/987725387.db2.gz MFTKROFMRXLCJF-SDDRHHMPSA-N 2 0 227.396 1.623 20 0 BDADRP C[C@H]1[NH2+]CCC[C@@H]1N[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246324890 987730336 /nfs/dbraw/zinc/73/03/36/987730336.db2.gz IRMDQGFUYDGLOQ-UTUOFQBUSA-N 2 0 225.380 1.247 20 0 BDADRP c1cncc([C@H]([NH2+]C2CC[NH2+]CC2)C2CC2)c1 ZINC001246325491 987730585 /nfs/dbraw/zinc/73/05/85/987730585.db2.gz AGSGBYGZLXKBLV-CQSZACIVSA-N 2 0 231.343 1.874 20 0 BDADRP C[C@H]1CC[C@H](n2cc3ccc(C[NH3+])cc3n2)C[NH2+]1 ZINC001246326912 987732721 /nfs/dbraw/zinc/73/27/21/987732721.db2.gz XQWIKSRKMZOUMK-GWCFXTLKSA-N 2 0 244.342 1.808 20 0 BDADRP C[C@@H]1C[C@H](N2C[C@@H](C[NH3+])c3ccccc32)CC[NH2+]1 ZINC001246329832 987734691 /nfs/dbraw/zinc/73/46/91/987734691.db2.gz XUOFNAMTINVNKR-JHJVBQTASA-N 2 0 245.370 1.689 20 0 BDADRP [NH3+]C[C@@H]1CN(C2CC[NH2+]CC2)c2ccccc21 ZINC001246329356 987734936 /nfs/dbraw/zinc/73/49/36/987734936.db2.gz VVZKWYWTSSWUBL-LLVKDONJSA-N 2 0 231.343 1.301 20 0 BDADRP C[C@@H](C[NH3+])CN[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246329797 987736202 /nfs/dbraw/zinc/73/62/02/987736202.db2.gz XETDAVRYDCPBOG-STQMWFEESA-N 3 0 239.407 1.626 20 0 BDADRP CC[C@@H]1C[C@H](N[C@H]2C[NH2+]CCC2(C)C)CC[NH2+]1 ZINC001246334525 987742208 /nfs/dbraw/zinc/74/22/08/987742208.db2.gz ZXWDGBGUHLEZEF-UPJWGTAASA-N 2 0 239.407 1.495 20 0 BDADRP OCCC1CCC([NH2+]C2CC[NH2+]CC2)CC1 ZINC001246337222 987744354 /nfs/dbraw/zinc/74/43/54/987744354.db2.gz SIVPXTNUQIACFC-UHFFFAOYSA-N 2 0 226.364 1.269 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCO[C@H]2CCCCO2)CC[NH2+]1 ZINC001246342472 987753687 /nfs/dbraw/zinc/75/36/87/987753687.db2.gz AEQADIIRWFAVOI-UPJWGTAASA-N 2 0 242.363 1.260 20 0 BDADRP c1ccc2c(c1)CC[C@H](CN[C@@H]1CC[NH2+]C1)N2 ZINC001246353460 987761243 /nfs/dbraw/zinc/76/12/43/987761243.db2.gz RNXGEDYOGKTDHT-CHWSQXEVSA-N 2 0 231.343 1.365 20 0 BDADRP CC(C)(C)[C@@H]1C[C@@H](NC2(C[NH3+])CCC2)CC[NH2+]1 ZINC001246356746 987763745 /nfs/dbraw/zinc/76/37/45/987763745.db2.gz QGSVIYRVMKRIJF-RYUDHWBXSA-N 2 0 239.407 1.624 20 0 BDADRP C[C@@H]1C[C@@H](N[C@H]2CC[N@@H+](C3CCC3)C2)CC[NH2+]1 ZINC001246359339 987766942 /nfs/dbraw/zinc/76/69/42/987766942.db2.gz AWXVCTOLXNIVDW-AGIUHOORSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CC2(c3cnccn3)CC2)CC[NH2+]1 ZINC001246384960 987780757 /nfs/dbraw/zinc/78/07/57/987780757.db2.gz CSCCVGSRBNJDRH-RYUDHWBXSA-N 2 0 246.358 1.238 20 0 BDADRP C[C@H]1CCC[C@H]([NH2+]CCCC[C@H]([NH3+])C(N)=O)C1 ZINC001246412366 987790886 /nfs/dbraw/zinc/79/08/86/987790886.db2.gz CCLYATWGFWPCKV-SRVKXCTJSA-N 2 0 241.379 1.138 20 0 BDADRP CCC1(N[C@@H]2CCCC[NH2+]C2)CC[NH2+]CC1 ZINC001246422885 987795076 /nfs/dbraw/zinc/79/50/76/987795076.db2.gz GDOMWKWJHZHVND-GFCCVEGCSA-N 2 0 225.380 1.250 20 0 BDADRP CCCOC1CCC([NH2+][C@@H]2CC23C[NH2+]C3)CC1 ZINC001246445835 987801976 /nfs/dbraw/zinc/80/19/76/987801976.db2.gz PYOGQCSVJIRPNK-WXRRBKDZSA-N 2 0 238.375 1.676 20 0 BDADRP CSC(C)(C)C[C@@H](C)[NH2+][C@@H]1CC12C[NH2+]C2 ZINC001246444812 987803404 /nfs/dbraw/zinc/80/34/04/987803404.db2.gz LTWKWXONHNSMMZ-NXEZZACHSA-N 2 0 228.405 1.858 20 0 BDADRP COC(=O)CCCC[C@H](C)[NH2+][C@@H]1CC12C[NH2+]C2 ZINC001246446793 987805404 /nfs/dbraw/zinc/80/54/04/987805404.db2.gz UCFOXRBAJSGMLY-WDEREUQCSA-N 2 0 240.347 1.060 20 0 BDADRP C(C1CCC1)C1(N[C@H]2CC[NH2+]C2)CC[NH2+]CC1 ZINC001246449845 987805891 /nfs/dbraw/zinc/80/58/91/987805891.db2.gz YOIIEWRZOUACHC-ZDUSSCGKSA-N 2 0 237.391 1.250 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC23C[NH2+]C3)C[C@H]1C ZINC001246446708 987807154 /nfs/dbraw/zinc/80/71/54/987807154.db2.gz TUYFHIMKKZHERY-WISYIIOYSA-N 2 0 208.349 1.763 20 0 BDADRP CCSC[C@H](C)[NH2+]CCC[NH2+]CCCC[NH3+] ZINC001246454951 987808962 /nfs/dbraw/zinc/80/89/62/987808962.db2.gz BOCGQJNQEPOUAX-LBPRGKRZSA-N 3 0 247.452 1.436 20 0 BDADRP CC[C@H]1CC[C@H]([NH2+]CCCNCCC[NH3+])C1 ZINC001246453907 987809453 /nfs/dbraw/zinc/80/94/53/987809453.db2.gz RAIUOWJQYSMBTL-STQMWFEESA-N 2 0 227.396 1.483 20 0 BDADRP CC[C@@H](CC(C)C)[NH2+]CCCNCCC[NH3+] ZINC001246454915 987809607 /nfs/dbraw/zinc/80/96/07/987809607.db2.gz VFYMLNSCHWYAON-ZDUSSCGKSA-N 2 0 229.412 1.729 20 0 BDADRP CC1(C)CCC[C@@H]([NH2+]CCCNCCC[NH3+])C1 ZINC001246455056 987813573 /nfs/dbraw/zinc/81/35/73/987813573.db2.gz WFOWTIRJMOTGRR-CYBMUJFWSA-N 2 0 241.423 1.873 20 0 BDADRP C[NH2+][C@H]1C[C@H](N[C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)C1 ZINC001246459314 987817032 /nfs/dbraw/zinc/81/70/32/987817032.db2.gz FFWHMGLNKABFJJ-ZDEQEGDKSA-N 2 0 239.407 1.493 20 0 BDADRP CCC[C@@]1(CN[C@H]2CCC[NH2+]CC2)CC[NH2+]1 ZINC001246458671 987817453 /nfs/dbraw/zinc/81/74/53/987817453.db2.gz AUICISYXSLUVKG-STQMWFEESA-N 2 0 225.380 1.250 20 0 BDADRP CC[C@]1(N[C@H]2CC[NH2+][C@H](C(C)C)C2)CC[NH2+]C1 ZINC001246460807 987819735 /nfs/dbraw/zinc/81/97/35/987819735.db2.gz NRMNKHXPKPGIMD-IHRRRGAJSA-N 2 0 239.407 1.495 20 0 BDADRP CC(C)(C)[C@@H]1C[C@H](N[C@H]2C[C@@](C)([NH3+])C2)CC[NH2+]1 ZINC001246466626 987826097 /nfs/dbraw/zinc/82/60/97/987826097.db2.gz XDGMBPRMPOEMRN-NMKXLXIOSA-N 2 0 239.407 1.623 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)CCO1 ZINC001246474722 987830577 /nfs/dbraw/zinc/83/05/77/987830577.db2.gz AOORXXCUADIPSD-RHYQMDGZSA-N 2 0 230.327 1.091 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1CCCC[C@H]1[NH3+])C2 ZINC001246479329 987837374 /nfs/dbraw/zinc/83/73/74/987837374.db2.gz TVMVXWUKNZQEBA-ITGHMWBKSA-N 2 0 237.391 1.471 20 0 BDADRP C[C@H](Cc1cccnc1)[NH2+][C@H]1CCCC[C@H]1[NH3+] ZINC001246480047 987838516 /nfs/dbraw/zinc/83/85/16/987838516.db2.gz XQTPVRIIXLHAQQ-BNOWGMLFSA-N 2 0 233.359 1.872 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+][C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246500057 987852834 /nfs/dbraw/zinc/85/28/34/987852834.db2.gz NYDDPDBFCYJZRD-LOWDOPEQSA-N 2 0 226.364 1.674 20 0 BDADRP CC[C@@H]1C[C@@H](NC23CC([NH3+])(C2)C3)C[C@H](CC)[NH2+]1 ZINC001246500438 987855712 /nfs/dbraw/zinc/85/57/12/987855712.db2.gz ICPWICHCNLSIRU-NSQMUIRCSA-N 2 0 237.391 1.519 20 0 BDADRP CC(C)C[C@@H](C[NH3+])N[C@@H]1CCCC[NH2+]C1 ZINC001246501722 987855778 /nfs/dbraw/zinc/85/57/78/987855778.db2.gz CHXFLDKGHFBVCU-NEPJUHHUSA-N 2 0 213.369 1.092 20 0 BDADRP CC[C@@H]1C[C@@H](N[C@@H]2C[NH2+]C[C@H](C)C2)CC[NH2+]1 ZINC001246500570 987855784 /nfs/dbraw/zinc/85/57/84/987855784.db2.gz XIKVMDSCUXSRMH-NDBYEHHHSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@H]1CC[C@H](NC[C@@H](CO)c2ccccc2)C[NH2+]1 ZINC001246504371 987858801 /nfs/dbraw/zinc/85/88/01/987858801.db2.gz PUGLIGHPALONAT-QEJZJMRPSA-N 2 0 248.370 1.493 20 0 BDADRP NC[C@@H]([NH2+][C@@H]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC001246508278 987862016 /nfs/dbraw/zinc/86/20/16/987862016.db2.gz UBVPPTNSDVSDQS-CBBWQLFWSA-N 2 0 245.370 1.274 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](N[C@@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC001246511487 987862472 /nfs/dbraw/zinc/86/24/72/987862472.db2.gz BWEMTUNHMZKQRN-MCIONIFRSA-N 2 0 239.407 1.447 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](N[C@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC001246511484 987863205 /nfs/dbraw/zinc/86/32/05/987863205.db2.gz BWEMTUNHMZKQRN-HZSPNIEDSA-N 2 0 239.407 1.447 20 0 BDADRP COc1cccc([C@@H](C[NH3+])NC2CC[NH2+]CC2)c1 ZINC001246509453 987863280 /nfs/dbraw/zinc/86/32/80/987863280.db2.gz HZPFNJDXCCPRSV-CQSZACIVSA-N 2 0 249.358 1.037 20 0 BDADRP C[C@H]1C[N@@H+]([C@@H]2CCCSC2)C[C@H]1C[NH3+] ZINC001246542245 987867037 /nfs/dbraw/zinc/86/70/37/987867037.db2.gz NZHGKQOZUBGAQC-HBNTYKKESA-N 2 0 214.378 1.409 20 0 BDADRP CCCC[N@H+](CC)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246521315 987869504 /nfs/dbraw/zinc/86/95/04/987869504.db2.gz OHAARLWQBCIEGQ-LBPRGKRZSA-N 2 0 225.380 1.202 20 0 BDADRP C[C@@H]1CC[C@H](N[C@@H](C2CCC2)C2C[NH2+]C2)C[NH2+]1 ZINC001246519600 987870280 /nfs/dbraw/zinc/87/02/80/987870280.db2.gz SKEMBAKIBOVLFM-SWHYSGLUSA-N 2 0 237.391 1.105 20 0 BDADRP CCCCC[N@H+](C)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246522732 987873365 /nfs/dbraw/zinc/87/33/65/987873365.db2.gz BSYRSRFTLSRAPP-GFCCVEGCSA-N 2 0 225.380 1.202 20 0 BDADRP CC[C@@H]1CC(N2CCC[NH2+]CC2)C[C@@H](CC)[NH2+]1 ZINC001246525954 987877597 /nfs/dbraw/zinc/87/75/97/987877597.db2.gz UJJNNZLXWWIWOX-CHWSQXEVSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@]1([NH3+])CC[N@@H+](C2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001246526400 987878961 /nfs/dbraw/zinc/87/89/61/987878961.db2.gz BLGNPDQRYCWQNX-FGNRJIRKSA-N 2 0 210.321 1.120 20 0 BDADRP CC[C@@H]1C[C@H](N2C[C@@H](F)[C@@H]([NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246527249 987881600 /nfs/dbraw/zinc/88/16/00/987881600.db2.gz SYSWMJVBUCOKQH-SJHCENCUSA-N 2 0 243.370 1.277 20 0 BDADRP CC(C)(C)[NH+]1CCC(N2CC[C@@](C)([NH3+])C2)CC1 ZINC001246529446 987885676 /nfs/dbraw/zinc/88/56/76/987885676.db2.gz JNGOFDJIOZKZAY-CQSZACIVSA-N 2 0 239.407 1.672 20 0 BDADRP C[C@]1([NH3+])CC[N@@H+]([C@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246530602 987886060 /nfs/dbraw/zinc/88/60/60/987886060.db2.gz NERGKGVIUXQZEB-MELADBBJSA-N 3 0 237.391 1.332 20 0 BDADRP C[C@@H](Cc1ccncc1)N1CC[C@](C)([NH3+])C1 ZINC001246529516 987887032 /nfs/dbraw/zinc/88/70/32/987887032.db2.gz KVZREFNISSOBBG-AAEUAGOBSA-N 2 0 219.332 1.436 20 0 BDADRP C1CCC2(CC1)C[C@H](N1CC[NH2+]CC1)CC[NH2+]2 ZINC001246530071 987887227 /nfs/dbraw/zinc/88/72/27/987887227.db2.gz NQSFIAKIXOKWSU-CYBMUJFWSA-N 2 0 237.391 1.347 20 0 BDADRP CCCC[C@H]1C[C@H](N2C[C@H]([NH3+])[C@@H](F)C2)CC[NH2+]1 ZINC001246533761 987890680 /nfs/dbraw/zinc/89/06/80/987890680.db2.gz NZQQLHGNIDZUOT-RNJOBUHISA-N 2 0 243.370 1.278 20 0 BDADRP CC[C@@H]1C[C@@H](N2C[C@H]([NH3+])[C@@H](F)C2)C[C@H](CC)[NH2+]1 ZINC001246534759 987893251 /nfs/dbraw/zinc/89/32/51/987893251.db2.gz SYSWMJVBUCOKQH-PPCPHDFISA-N 2 0 243.370 1.277 20 0 BDADRP C[C@@H](Cc1ccco1)[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246538520 987897146 /nfs/dbraw/zinc/89/71/46/987897146.db2.gz CIEOOUZRMLZRJF-SDDRHHMPSA-N 2 0 222.332 1.737 20 0 BDADRP CC[C@H]1C[C@H](N2C[C@H](C)[C@H](C[NH3+])C2)CC[NH2+]1 ZINC001246540729 987900483 /nfs/dbraw/zinc/90/04/83/987900483.db2.gz KAMXNZYKHFLTAN-QNWHQSFQSA-N 2 0 225.380 1.044 20 0 BDADRP [NH3+]C[C@]1(O)CCC[N@@H+]([C@H]2CCCSC2)CC1 ZINC001246544592 987917037 /nfs/dbraw/zinc/91/70/37/987917037.db2.gz RGAHBCGCVQIITC-RYUDHWBXSA-N 2 0 244.404 1.058 20 0 BDADRP [NH3+][C@@H]1CCC[N@@H+](C2CCC3(COC3)CC2)CC1 ZINC001246546913 987925089 /nfs/dbraw/zinc/92/50/89/987925089.db2.gz NXDYJPFJIUYIIR-GFCCVEGCSA-N 2 0 238.375 1.759 20 0 BDADRP CC(C)CC[C@@H](C)[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246546231 987927508 /nfs/dbraw/zinc/92/75/08/987927508.db2.gz ZBHAZFQZGSSIKL-ZIAGYGMSSA-N 2 0 242.407 1.987 20 0 BDADRP CC(C)CC[C@H](C)[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246546228 987928070 /nfs/dbraw/zinc/92/80/70/987928070.db2.gz ZBHAZFQZGSSIKL-KBPBESRZSA-N 2 0 242.407 1.987 20 0 BDADRP COC[C@H]1CCC[N@@H+]1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246547752 987928913 /nfs/dbraw/zinc/92/89/13/987928913.db2.gz NHWGIJJLNODHPZ-GRYCIOLGSA-N 2 0 212.337 1.238 20 0 BDADRP C[C@]1([NH3+])CCC[N@@H+]([C@H]2CCSC2)CC1 ZINC001246549173 987936421 /nfs/dbraw/zinc/93/64/21/987936421.db2.gz HOFIJIRDNYGTMG-QWRGUYRKSA-N 2 0 214.378 1.695 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1C1CCC2(COC2)CC1 ZINC001246549294 987936611 /nfs/dbraw/zinc/93/66/11/987936611.db2.gz JJSZNCNFJXOSAF-ZYHUDNBSSA-N 2 0 224.348 1.367 20 0 BDADRP C[C@@H]1CC[N@@H+](C2CC[NH2+]CC2)CC[C@]1(C)O ZINC001246551186 987942859 /nfs/dbraw/zinc/94/28/59/987942859.db2.gz PPPVFLIZFUURMA-YPMHNXCESA-N 2 0 226.364 1.221 20 0 BDADRP C[C@H]1CC[N@@H+](C2CC[NH2+]CC2)CC[C@]1(C)O ZINC001246551183 987944977 /nfs/dbraw/zinc/94/49/77/987944977.db2.gz PPPVFLIZFUURMA-AAEUAGOBSA-N 2 0 226.364 1.221 20 0 BDADRP [NH3+]C[C@]1(F)CCC[N@@H+]([C@@H]2CCC[NH2+]CC2)CC1 ZINC001246552947 987953963 /nfs/dbraw/zinc/95/39/63/987953963.db2.gz WLRZJHXSTBGJDS-OLZOCXBDSA-N 3 0 243.370 1.281 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H](C)[C@H](O)CC2)CC[NH2+]1 ZINC001246551905 987954280 /nfs/dbraw/zinc/95/42/80/987954280.db2.gz NVVWNFMKJMAQBY-FDYHWXHSSA-N 2 0 226.364 1.220 20 0 BDADRP CC1(C)CC[C@H]([N@@H+]2CCCC[C@@](O)(C[NH3+])C2)C1 ZINC001246555547 987966180 /nfs/dbraw/zinc/96/61/80/987966180.db2.gz BZHQQUAQEYGCBY-GXTWGEPZSA-N 2 0 240.391 1.741 20 0 BDADRP C[C@@H]1C[C@@H](N2CCC[C@](C)([NH3+])CC2)C[C@H](C)[NH2+]1 ZINC001246556230 987970365 /nfs/dbraw/zinc/97/03/65/987970365.db2.gz YUCLTAQBKQAEHJ-CRWXNKLISA-N 2 0 239.407 1.719 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH3+])N([C@@H]2CCC[N@H+](C)CC2)C1 ZINC001246558402 987978729 /nfs/dbraw/zinc/97/87/29/987978729.db2.gz QBJCNHZWIHJBOG-MCIONIFRSA-N 2 0 239.407 1.530 20 0 BDADRP C[C@@H]1CCC[C@@H]([N@@H+]2CCCC[C@](O)(C[NH3+])C2)C1 ZINC001246558482 987979119 /nfs/dbraw/zinc/97/91/19/987979119.db2.gz LDDCKFBLTGCTOI-MCIONIFRSA-N 2 0 240.391 1.741 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246560445 987985230 /nfs/dbraw/zinc/98/52/30/987985230.db2.gz GZUUZBYYOKWPTP-FRRDWIJNSA-N 2 0 227.396 1.386 20 0 BDADRP CC(C)CC[C@@H](C)[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246561607 987998455 /nfs/dbraw/zinc/99/84/55/987998455.db2.gz QZVIKTIPKWQYLF-KGLIPLIRSA-N 2 0 242.407 1.987 20 0 BDADRP C[C@@H]1C[C@H](N2CCC[C@H](C[NH3+])[C@H](C)C2)C[NH2+]1 ZINC001246562965 988002262 /nfs/dbraw/zinc/00/22/62/988002262.db2.gz BVRDNCILTUJLLU-LPWJVIDDSA-N 2 0 225.380 1.044 20 0 BDADRP C[C@@H]1CC[C@@H]([N@@H+]2CCCC[C@](O)(C[NH3+])C2)C1 ZINC001246563541 988004412 /nfs/dbraw/zinc/00/44/12/988004412.db2.gz VHLATRKRJMQHPQ-UPJWGTAASA-N 2 0 226.364 1.351 20 0 BDADRP C[C@@H]1C[N@@H+](C2CCC3(CC[NH2+]C3)CC2)C[C@H]1[NH3+] ZINC001246564673 988017050 /nfs/dbraw/zinc/01/70/50/988017050.db2.gz YGXOUROQZSRLST-NELGMTEASA-N 2 0 237.391 1.188 20 0 BDADRP C[C@@H]1CCN([C@H]2CC3CC[NH+](CC3)C2)C[C@@H]1[NH3+] ZINC001246563905 988017834 /nfs/dbraw/zinc/01/78/34/988017834.db2.gz CFNQSGLGUAXRHM-XBFCOCLRSA-N 2 0 237.391 1.140 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]CC[C@@H](C)[NH2+]C)C12CCC2 ZINC001118121215 988018777 /nfs/dbraw/zinc/01/87/77/988018777.db2.gz CBNSEXAHTMQRII-FRRDWIJNSA-N 2 0 240.391 1.922 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC001118121858 988022630 /nfs/dbraw/zinc/02/26/30/988022630.db2.gz KATXZRQBSKYZEP-VXGBXAGGSA-N 3 0 227.396 1.304 20 0 BDADRP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1ccncc1 ZINC001118121816 988025574 /nfs/dbraw/zinc/02/55/74/988025574.db2.gz IWJVPGHLQRXLSW-QWRGUYRKSA-N 2 0 207.321 1.730 20 0 BDADRP C[C@@H]1CN([C@@H]2CCC[NH2+]C2)CCC[C@H]1C[NH3+] ZINC001246567380 988034389 /nfs/dbraw/zinc/03/43/89/988034389.db2.gz KSKRDEMTNJDAHI-FRRDWIJNSA-N 2 0 225.380 1.045 20 0 BDADRP C[N@@H+]1CCC[C@H](N2C[C@@H]([NH3+])CC(F)(F)C2)CC1 ZINC001246569289 988040272 /nfs/dbraw/zinc/04/02/72/988040272.db2.gz DHPGCBQIAQVKKL-QWRGUYRKSA-N 2 0 247.333 1.139 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)CCO1 ZINC001246569078 988041101 /nfs/dbraw/zinc/04/11/01/988041101.db2.gz PTRAUMDBKGXJLQ-AAVRWANBSA-N 2 0 240.391 1.861 20 0 BDADRP COC[C@H](C)[N@@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001246568507 988043426 /nfs/dbraw/zinc/04/34/26/988043426.db2.gz OPSAFIYFDKDCOS-GRYCIOLGSA-N 2 0 214.353 1.328 20 0 BDADRP C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)C[C@H]1C ZINC001246570781 988046631 /nfs/dbraw/zinc/04/66/31/988046631.db2.gz VNNZVJHCPYKXPT-SYLRKERUSA-N 2 0 226.364 1.205 20 0 BDADRP C[C@H]1C[N@@H+](C2CC[NH2+]CC2)CCC[C@@H]1C[NH3+] ZINC001246570762 988049274 /nfs/dbraw/zinc/04/92/74/988049274.db2.gz VJOFQHFFTRSHNG-NWDGAFQWSA-N 3 0 225.380 1.045 20 0 BDADRP C[N@@H+]1CCC[C@H](N2CCCC[C@@](F)(C[NH3+])C2)C1 ZINC001246573450 988067051 /nfs/dbraw/zinc/06/70/51/988067051.db2.gz COQFZENLOMTWPH-QWHCGFSZSA-N 2 0 243.370 1.234 20 0 BDADRP CC(C)CCC[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246573689 988073580 /nfs/dbraw/zinc/07/35/80/988073580.db2.gz ZBNYGPBGXZQUPH-YNEHKIRRSA-N 2 0 228.380 1.595 20 0 BDADRP C[C@@H]1CN([C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)CC[NH2+]1 ZINC001246573171 988074859 /nfs/dbraw/zinc/07/48/59/988074859.db2.gz HXRINZGQLARKNV-FRRDWIJNSA-N 2 0 239.407 1.447 20 0 BDADRP CC[NH+]1CCC(N2CC[C@@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001246578736 988100155 /nfs/dbraw/zinc/10/01/55/988100155.db2.gz BUYVQBCQBNHQGS-QWHCGFSZSA-N 2 0 243.370 1.232 20 0 BDADRP CCC[C@@H](C)CC[C@H](C)[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246580073 988100415 /nfs/dbraw/zinc/10/04/15/988100415.db2.gz KPRXBIDGIPROGO-RFGFWPKPSA-N 2 0 242.407 1.843 20 0 BDADRP C[C@H]1C[C@@H](CF)[N@@H+]([C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246580858 988112282 /nfs/dbraw/zinc/11/22/82/988112282.db2.gz NYLGPPXPBUDYKP-BJDJZHNGSA-N 2 0 214.328 1.807 20 0 BDADRP CCC[C@H](C)CC[C@@H](C)[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246583657 988121677 /nfs/dbraw/zinc/12/16/77/988121677.db2.gz KPRXBIDGIPROGO-RFQIPJPRSA-N 2 0 242.407 1.843 20 0 BDADRP C[NH2+]CC[C@@H](C)N1CCCC[C@@H](C[NH3+])C1 ZINC001246582939 988125957 /nfs/dbraw/zinc/12/59/57/988125957.db2.gz PILGMMDKILXTTP-NEPJUHHUSA-N 2 0 213.369 1.045 20 0 BDADRP CC[N@@H+]1CC[C@@H](N2CCCC[C@](C)(C[NH3+])C2)C1 ZINC001246593404 988176852 /nfs/dbraw/zinc/17/68/52/988176852.db2.gz MSEPVVWXXIOOIK-ZIAGYGMSSA-N 2 0 239.407 1.532 20 0 BDADRP CSCC[C@H](C)[NH+]1CC(C)(C[NH3+])C1 ZINC001246594590 988183336 /nfs/dbraw/zinc/18/33/36/988183336.db2.gz GXTIEGPFCQQYAU-VIFPVBQESA-N 2 0 202.367 1.409 20 0 BDADRP CSCC[C@@H](C)[NH+]1CC(C)(C[NH3+])C1 ZINC001246594587 988187568 /nfs/dbraw/zinc/18/75/68/988187568.db2.gz GXTIEGPFCQQYAU-SECBINFHSA-N 2 0 202.367 1.409 20 0 BDADRP CCC[C@H](CC)[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246599777 988205561 /nfs/dbraw/zinc/20/55/61/988205561.db2.gz DSDVGACPEAOJIK-ZDUSSCGKSA-N 2 0 239.407 1.593 20 0 BDADRP CC1(C[NH3+])C[NH+]([C@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001246602152 988210266 /nfs/dbraw/zinc/21/02/66/988210266.db2.gz VXCOOMOJRQAXCH-JSGCOSHPSA-N 3 0 237.391 1.189 20 0 BDADRP CC[C@H]1CC(N2CC(C)(C[NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246603515 988213269 /nfs/dbraw/zinc/21/32/69/988213269.db2.gz ZHVIYBJQJDCWGJ-RYUDHWBXSA-N 2 0 239.407 1.576 20 0 BDADRP C1C[C@@]2(CCC[NH2+]C2)N1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246603035 988215670 /nfs/dbraw/zinc/21/56/70/988215670.db2.gz LWTXCYRJMVGRTO-QNMSZWNNSA-N 2 0 235.375 1.097 20 0 BDADRP C1CC2(C[NH2+]C2)N1[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246608065 988231199 /nfs/dbraw/zinc/23/11/99/988231199.db2.gz SJLZEFKJZZQNBO-CYBMUJFWSA-N 2 0 249.402 1.489 20 0 BDADRP C[C@@H]1C[C@@H](N2CCC[C@]23CCC[NH2+]C3)CC[NH2+]1 ZINC001246613378 988234784 /nfs/dbraw/zinc/23/47/84/988234784.db2.gz YUMWIAPGVGDONT-RDBSUJKOSA-N 2 0 237.391 1.345 20 0 BDADRP CC[N@@H+]1CC[C@H](N2CCC[C@]23CCC[NH2+]C3)C1 ZINC001246610081 988234992 /nfs/dbraw/zinc/23/49/92/988234992.db2.gz ORDYNMDJIPYQKJ-KBPBESRZSA-N 2 0 237.391 1.299 20 0 BDADRP C1[NH2+]CC12CN([C@H]1CC[NH2+]C3(CCCCC3)C1)C2 ZINC001246612269 988244217 /nfs/dbraw/zinc/24/42/17/988244217.db2.gz GIEXYVYVVNIVOP-ZDUSSCGKSA-N 2 0 249.402 1.347 20 0 BDADRP C[NH2+]CC[C@@H](C)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001246624749 988257542 /nfs/dbraw/zinc/25/75/42/988257542.db2.gz RUTIGDQFFCJWGX-OLZOCXBDSA-N 2 0 225.380 1.202 20 0 BDADRP [NH3+]CC1(F)CC[NH+](C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001246617745 988260578 /nfs/dbraw/zinc/26/05/78/988260578.db2.gz FZVLLFXCHMAGBP-YOGCLGLASA-N 2 0 242.338 1.459 20 0 BDADRP C[C@H]1C[C@H]([NH+]2CCC(F)(C[NH3+])CC2)CCO1 ZINC001246622331 988268064 /nfs/dbraw/zinc/26/80/64/988268064.db2.gz YSZGLGUQLRSPNH-WDEREUQCSA-N 2 0 230.327 1.317 20 0 BDADRP C[C@@H]1C[C@@H]([NH+]2CCC(F)(C[NH3+])CC2)CCO1 ZINC001246632017 988312433 /nfs/dbraw/zinc/31/24/33/988312433.db2.gz YSZGLGUQLRSPNH-MNOVXSKESA-N 2 0 230.327 1.317 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)C[C@H](C)O1 ZINC001246636775 988331819 /nfs/dbraw/zinc/33/18/19/988331819.db2.gz WXRZBILFMHUNHE-FPYNETTCSA-N 2 0 224.348 1.379 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2CC[C@H]3[NH2+]CC[C@H]32)CC[NH2+]1 ZINC001246639285 988334288 /nfs/dbraw/zinc/33/42/88/988334288.db2.gz PHMJBBOBIRHQNS-YIYPIFLZSA-N 2 0 237.391 1.199 20 0 BDADRP C[C@@H]1CCC[C@H]([N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)C1 ZINC001246644244 988353813 /nfs/dbraw/zinc/35/38/13/988353813.db2.gz RHLWSDRQMQGRMN-RDBSUJKOSA-N 2 0 237.391 1.202 20 0 BDADRP C1C[C@@H]2[C@H](CCN2[C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)[NH2+]1 ZINC001246645044 988354814 /nfs/dbraw/zinc/35/48/14/988354814.db2.gz SOUAVOUEAQXYJW-ZUWCUPBKSA-N 2 0 235.375 1.096 20 0 BDADRP C1CC2(C1)C[C@@H](N1CCCCC13C[NH2+]C3)CC[NH2+]2 ZINC001246644713 988354981 /nfs/dbraw/zinc/35/49/81/988354981.db2.gz YAPPRTBAAKRJHH-ZDUSSCGKSA-N 2 0 249.402 1.489 20 0 BDADRP C1C[C@@H]2[C@H](CCN2[C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)[NH2+]1 ZINC001246645042 988358631 /nfs/dbraw/zinc/35/86/31/988358631.db2.gz SOUAVOUEAQXYJW-MQLXINIDSA-N 2 0 235.375 1.096 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3CCCO[C@H]3C2)CC[NH2+]1 ZINC001246646765 988364453 /nfs/dbraw/zinc/36/44/53/988364453.db2.gz HWWDQJPFDIZDQZ-SYQHCUMBSA-N 2 0 238.375 1.628 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2CC[C@H]3C[NH2+]C[C@H]32)CC[NH2+]1 ZINC001246648263 988372377 /nfs/dbraw/zinc/37/23/77/988372377.db2.gz XHJARYLNXDDUSN-RFQIPJPRSA-N 2 0 237.391 1.057 20 0 BDADRP C1[C@H]2CCC[NH2+][C@H]2CN1[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246655145 988376327 /nfs/dbraw/zinc/37/63/27/988376327.db2.gz GIEGCWGLORWBSF-MRLBHPIUSA-N 2 0 249.402 1.343 20 0 BDADRP C[NH2+]CC[C@@H](C)N1CCCC[C@]12CCC[NH2+]C2 ZINC001246654147 988380314 /nfs/dbraw/zinc/38/03/14/988380314.db2.gz UVHYZLXWAAHYHP-ZIAGYGMSSA-N 2 0 239.407 1.593 20 0 BDADRP C1[C@@H]2[C@H]1NCC[N@H+]2C1CCC2(CC[NH2+]CC2)CC1 ZINC001246659790 988393324 /nfs/dbraw/zinc/39/33/24/988393324.db2.gz HFCCNPXUWIMIRY-UONOGXRCSA-N 2 0 249.402 1.345 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2CC3(C2)CCC[NH2+]3)CC[NH2+]1 ZINC001246666332 988402833 /nfs/dbraw/zinc/40/28/33/988402833.db2.gz IWZLNIHDQMTYKZ-OLZOCXBDSA-N 2 0 237.391 1.201 20 0 BDADRP CC[C@@H]1C[C@H]([N@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246667177 988412795 /nfs/dbraw/zinc/41/27/95/988412795.db2.gz YBSKBUWEFQOCLM-KXSLGULGSA-N 3 0 237.391 1.185 20 0 BDADRP C[C@H]1CNCC[N@@H+]1[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246671079 988415072 /nfs/dbraw/zinc/41/50/72/988415072.db2.gz GKIXBDVUIHOWML-STQMWFEESA-N 2 0 237.391 1.202 20 0 BDADRP C1C[C@@]2(C[NH2+]1)CCC[C@@H](N1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246672394 988415493 /nfs/dbraw/zinc/41/54/93/988415493.db2.gz DVNDWGRJIILQPT-BARDWOONSA-N 2 0 249.402 1.345 20 0 BDADRP C[C@H]1C[NH2+]CCN1[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246672891 988415761 /nfs/dbraw/zinc/41/57/61/988415761.db2.gz MRRDIKLWOCLEBD-RWMBFGLXSA-N 2 0 239.407 1.447 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N2CC[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC001246672929 988415950 /nfs/dbraw/zinc/41/59/50/988415950.db2.gz MWJUVUZLERJMFT-AVGNSLFASA-N 2 0 225.380 1.057 20 0 BDADRP CCCC[C@H]1C[C@@H](N2CC[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC001246674027 988418386 /nfs/dbraw/zinc/41/83/86/988418386.db2.gz RYBUFEFTFHKTQV-IHRRRGAJSA-N 2 0 239.407 1.591 20 0 BDADRP CC[C@@H]1C[C@@H](N2C[C@H]3C[C@@H](C2)[NH2+]3)C[C@H](CC)[NH2+]1 ZINC001246674668 988418843 /nfs/dbraw/zinc/41/88/43/988418843.db2.gz ACQWSSZSVYLUPX-RVOPOGNISA-N 2 0 237.391 1.342 20 0 BDADRP CN([C@@H]1CC[NH2+]C(C)(C)C1)[C@H]1CCC[NH2+]C1 ZINC001246677353 988420909 /nfs/dbraw/zinc/42/09/09/988420909.db2.gz HUZXQBNVSXAFIP-NEPJUHHUSA-N 2 0 225.380 1.201 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N(C)[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246676108 988421505 /nfs/dbraw/zinc/42/15/05/988421505.db2.gz CHRQWTOSQVWTHU-MJBXVCDLSA-N 2 0 239.407 1.447 20 0 BDADRP CC[C@@H]1C[C@@H](N(C)CCC[NH3+])C[C@H](CC)[NH2+]1 ZINC001246683027 988431819 /nfs/dbraw/zinc/43/18/19/988431819.db2.gz XYYJOYJDXYSPRX-CLLJXQQHSA-N 2 0 227.396 1.576 20 0 BDADRP C[C@@H]1CC[C@@H](N2C[C@H](C)[N@H+](C)C[C@H]2C)C[NH2+]1 ZINC001246688235 988435457 /nfs/dbraw/zinc/43/54/57/988435457.db2.gz DNRCMPARTOHLRM-YVECIDJPSA-N 2 0 225.380 1.151 20 0 BDADRP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246687612 988439318 /nfs/dbraw/zinc/43/93/18/988439318.db2.gz AWJJZOAAYKLIJU-WUHRBBMRSA-N 2 0 225.380 1.151 20 0 BDADRP C[NH2+]Cc1ccc(N[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC001246777161 988452319 /nfs/dbraw/zinc/45/23/19/988452319.db2.gz KATZKJKPHAVHAD-SMDDNHRTSA-N 2 0 233.359 1.958 20 0 BDADRP COCC[C@H]1CCCC[N@@H+]1C1CC[NH2+]CC1 ZINC001246788593 988469446 /nfs/dbraw/zinc/46/94/46/988469446.db2.gz UKNVZYIHQXCSRK-GFCCVEGCSA-N 2 0 226.364 1.629 20 0 BDADRP c1cncc([C@@H]2CC[N@@H+](C3CC[NH2+]CC3)C2)c1 ZINC001246791698 988470451 /nfs/dbraw/zinc/47/04/51/988470451.db2.gz LUFRXHBKGVULNZ-CYBMUJFWSA-N 2 0 231.343 1.623 20 0 BDADRP c1ccc([C@@H]2CC[N@@H+](C3CC[NH2+]CC3)C2)nc1 ZINC001246799332 988478534 /nfs/dbraw/zinc/47/85/34/988478534.db2.gz YLHLHSCCAMQIMB-GFCCVEGCSA-N 2 0 231.343 1.623 20 0 BDADRP CCN(C1CC[NH2+]CC1)[C@@H]1CCCC[NH2+]C1 ZINC001246798555 988480016 /nfs/dbraw/zinc/48/00/16/988480016.db2.gz UXCQCYOMUJTUSJ-CYBMUJFWSA-N 2 0 225.380 1.202 20 0 BDADRP C1[NH2+]CC12C[C@H]([N@@H+]1CCC3(CCCC3)C1)CCN2 ZINC001246809001 988490262 /nfs/dbraw/zinc/49/02/62/988490262.db2.gz WDYWTULAWXZWSK-CYBMUJFWSA-N 2 0 249.402 1.347 20 0 BDADRP CCCC[C@@H]1C[C@@H](N2CC[C@@H]([NH2+]C)C2)CC[NH2+]1 ZINC001246813465 988496520 /nfs/dbraw/zinc/49/65/20/988496520.db2.gz LZOGCIHJYMJFTQ-MCIONIFRSA-N 2 0 239.407 1.591 20 0 BDADRP CC[C@H]1C[C@@H](N2C[C@@H](C)[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC001246824334 988516744 /nfs/dbraw/zinc/51/67/44/988516744.db2.gz MXBUCWZZUNDURY-RNJOBUHISA-N 2 0 225.380 1.199 20 0 BDADRP [NH3+]CCN(CC[NH3+])C1CCc2ccccc2CC1 ZINC001246829478 988523258 /nfs/dbraw/zinc/52/32/58/988523258.db2.gz GWUNVHFXTOOKFG-UHFFFAOYSA-N 2 0 247.386 1.153 20 0 BDADRP Cc1cccc2c1CC[C@H](N(CC[NH3+])CC[NH3+])C2 ZINC001246829433 988524124 /nfs/dbraw/zinc/52/41/24/988524124.db2.gz GKJAKUOHWKWGNP-AWEZNQCLSA-N 2 0 247.386 1.072 20 0 BDADRP C[C@H]1CC(N2CC3(C2)CCCC[NH2+]3)C[C@H](C)[NH2+]1 ZINC001246831781 988530087 /nfs/dbraw/zinc/53/00/87/988530087.db2.gz FLWSRIGJJMMUBX-RYUDHWBXSA-N 2 0 237.391 1.343 20 0 BDADRP C1CC12C[N@@H+](C1CCC3(CC[NH2+]C3)CC1)CCN2 ZINC001246835754 988533841 /nfs/dbraw/zinc/53/38/41/988533841.db2.gz UPSDXCFKVLXTND-UHFFFAOYSA-N 2 0 249.402 1.347 20 0 BDADRP CC(C)=CCC[C@H](C)N(CC[NH3+])CC[NH3+] ZINC001246834304 988535356 /nfs/dbraw/zinc/53/53/56/988535356.db2.gz SWKFHYFJTZWEPC-LBPRGKRZSA-N 2 0 213.369 1.341 20 0 BDADRP C[N@H+](C[C@H]1CC1(C)C)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246843064 988548340 /nfs/dbraw/zinc/54/83/40/988548340.db2.gz AWBDMPZPCZNEDL-VXGBXAGGSA-N 2 0 237.391 1.058 20 0 BDADRP C[NH2+]CCc1c(C)nn(C2CC[NH2+]CC2)c1C ZINC001246845609 988559634 /nfs/dbraw/zinc/55/96/34/988559634.db2.gz MBRXPUQEIGPHMC-UHFFFAOYSA-N 2 0 236.363 1.186 20 0 BDADRP CC[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)C1 ZINC001246853250 988572760 /nfs/dbraw/zinc/57/27/60/988572760.db2.gz LJJHBIKVPGLIPC-MROQNXINSA-N 2 0 208.349 1.988 20 0 BDADRP CCN([C@@H]1CC[NH2+]C1)[C@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246853385 988573124 /nfs/dbraw/zinc/57/31/24/988573124.db2.gz VIMCNAVAYRGDFX-BFHYXJOUSA-N 2 0 239.407 1.447 20 0 BDADRP CCN([C@H]1CCC[NH2+]C1)[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246853150 988574686 /nfs/dbraw/zinc/57/46/86/988574686.db2.gz HFNMZHWYEQWERR-CRWXNKLISA-N 2 0 239.407 1.589 20 0 BDADRP [NH3+][C@]12CC[C@@H]1C[N@@H+]([C@H]1Cc3cccc(F)c3C1)C2 ZINC001246855674 988579094 /nfs/dbraw/zinc/57/90/94/988579094.db2.gz VCEHXFFWHMDBME-XUJVJEKNSA-N 2 0 246.329 1.716 20 0 BDADRP CCC[C@H](CC)[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246858745 988588886 /nfs/dbraw/zinc/58/88/86/988588886.db2.gz GKQMJHPTGODUHV-FXJUQPSGSA-N 2 0 226.364 1.471 20 0 BDADRP CCC[C@@H](CC)[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246858743 988595057 /nfs/dbraw/zinc/59/50/57/988595057.db2.gz GKQMJHPTGODUHV-DAAZQVBGSA-N 2 0 226.364 1.471 20 0 BDADRP C1CC1N(C1C[NH2+]C1)C1CCC2(CC[NH2+]C2)CC1 ZINC001246865300 988606303 /nfs/dbraw/zinc/60/63/03/988606303.db2.gz SWDUDWWKYCORAG-UHFFFAOYSA-N 2 0 249.402 1.345 20 0 BDADRP C[C@@H]1C[C@H](n2cncc2C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246866982 988618535 /nfs/dbraw/zinc/61/85/35/988618535.db2.gz LPYGZTLPUXUOJJ-DGCLKSJQSA-N 2 0 248.374 1.663 20 0 BDADRP CC(C)[C@H]1C[C@H](N2CCC[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC001246876680 988645317 /nfs/dbraw/zinc/64/53/17/988645317.db2.gz LTQRNJZQBFUBII-BFHYXJOUSA-N 2 0 239.407 1.447 20 0 BDADRP CC[C@@H]1C[C@@H](N2CCC[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC001246875597 988645331 /nfs/dbraw/zinc/64/53/31/988645331.db2.gz HUYMURCOGHHVSO-XQQFMLRXSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@H]1CC(N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[C@H](C)[NH2+]1 ZINC001246881348 988650112 /nfs/dbraw/zinc/65/01/12/988650112.db2.gz MUJYQGSHDILWIQ-ZDEQEGDKSA-N 2 0 237.391 1.342 20 0 BDADRP C[C@@H]1CC(N(C)C[C@@H]2CCC[NH2+]2)C[C@@H](C)[NH2+]1 ZINC001246888888 988655409 /nfs/dbraw/zinc/65/54/09/988655409.db2.gz LIOMDYHYNCFSNY-UTUOFQBUSA-N 2 0 225.380 1.199 20 0 BDADRP C[C@@H]1C[C@@H](N(C)C[C@@H]2CCC[NH2+]2)C[C@H](C)[NH2+]1 ZINC001246888885 988655758 /nfs/dbraw/zinc/65/57/58/988655758.db2.gz LIOMDYHYNCFSNY-RNJOBUHISA-N 2 0 225.380 1.199 20 0 BDADRP C[NH2+]CC[C@@H](C)[N@@H+]1CCc2cc(N)ccc2C1 ZINC001246890380 988658309 /nfs/dbraw/zinc/65/83/09/988658309.db2.gz ULTGNMNISWNIQY-LLVKDONJSA-N 2 0 233.359 1.625 20 0 BDADRP CCN(CC[NH2+]C)C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246891129 988659963 /nfs/dbraw/zinc/65/99/63/988659963.db2.gz NBWAXRQZPWAIHF-GHMZBOCLSA-N 2 0 213.369 1.057 20 0 BDADRP CCN(CC[NH3+])[C@@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246893036 988664805 /nfs/dbraw/zinc/66/48/05/988664805.db2.gz QTINWOJKFWNBKA-NEPJUHHUSA-N 2 0 213.369 1.044 20 0 BDADRP C[NH2+][C@@H]1CCN1[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246895856 988668782 /nfs/dbraw/zinc/66/87/82/988668782.db2.gz FXIBHASZYQUISD-ZNMIVQPWSA-N 2 0 245.370 1.731 20 0 BDADRP CCC1([NH3+])CN([C@@H]2CC[NH2+][C@@H](C(C)C)C2)C1 ZINC001246895495 988668802 /nfs/dbraw/zinc/66/88/02/988668802.db2.gz UEVSLRJSCUVFOJ-VXGBXAGGSA-N 2 0 225.380 1.186 20 0 BDADRP CCCC[C@H]1CN([C@@H]2C[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC001246896988 988670912 /nfs/dbraw/zinc/67/09/12/988670912.db2.gz BYDXZZFHYABUFO-AVGNSLFASA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H]1C[C@@H](N(C2CC2)[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246905042 988681740 /nfs/dbraw/zinc/68/17/40/988681740.db2.gz KDQSDJFHTCQQCG-XBFCOCLRSA-N 2 0 237.391 1.343 20 0 BDADRP CC(C)(C)[NH+]1CCC(N2CCC[C@@H]2C[NH3+])CC1 ZINC001246912968 988693236 /nfs/dbraw/zinc/69/32/36/988693236.db2.gz IFBZOIKIICGGIN-CYBMUJFWSA-N 2 0 239.407 1.672 20 0 BDADRP CC[C@@H]1C[C@H]([N@H+](C)CCO)C[C@H](CC)[NH2+]1 ZINC001246915947 988706902 /nfs/dbraw/zinc/70/69/02/988706902.db2.gz ZJRLMPSCWPUVLY-GDNZZTSVSA-N 2 0 214.353 1.220 20 0 BDADRP CC[C@H]1CC(N2CCC[C@@H]2C[NH3+])C[C@H](CC)[NH2+]1 ZINC001246918080 988712627 /nfs/dbraw/zinc/71/26/27/988712627.db2.gz UQWKXTPKFKFRTO-RWMBFGLXSA-N 2 0 239.407 1.719 20 0 BDADRP NC[C@H]1CCC[N@@H+]1[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246917608 988719970 /nfs/dbraw/zinc/71/99/70/988719970.db2.gz RQOGZSDQEAITFE-MCIONIFRSA-N 2 0 237.391 1.332 20 0 BDADRP NC[C@H]1CCC[N@@H+]1[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246917605 988722254 /nfs/dbraw/zinc/72/22/54/988722254.db2.gz RQOGZSDQEAITFE-BFHYXJOUSA-N 2 0 237.391 1.332 20 0 BDADRP CO[C@H](C)C1C[NH+]([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246924279 988746604 /nfs/dbraw/zinc/74/66/04/988746604.db2.gz QZQXNHKXJQVIBX-FOGDFJRCSA-N 2 0 212.337 1.094 20 0 BDADRP C[C@@H]1C[C@@H]([N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CCO1 ZINC001246929320 988747744 /nfs/dbraw/zinc/74/77/44/988747744.db2.gz DVBKNXOADZPWHR-MQYQWHSLSA-N 2 0 238.375 1.485 20 0 BDADRP CCCC[C@@H]1CN([C@H]2CC[C@@H](C)[NH2+]C2)CC[NH2+]1 ZINC001246925084 988748623 /nfs/dbraw/zinc/74/86/23/988748623.db2.gz LNAOPDRPKCMNSQ-MCIONIFRSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@H]1CC[C@@H](n2ccc3c2CC[NH2+]C3)C[NH2+]1 ZINC001246928472 988750647 /nfs/dbraw/zinc/75/06/47/988750647.db2.gz ZZHSUKUNDBNVJU-CMPLNLGQSA-N 2 0 219.332 1.447 20 0 BDADRP CCC[C@@H]1CNCC[N@@H+]1[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246925075 988753536 /nfs/dbraw/zinc/75/35/36/988753536.db2.gz LKSMNKKTYCPKOQ-XJFOESAGSA-N 2 0 237.391 1.058 20 0 BDADRP CCCN(CCC[NH+](C)C)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246937879 988765547 /nfs/dbraw/zinc/76/55/47/988765547.db2.gz CVXRVYOPVHTCPJ-KGLIPLIRSA-N 2 0 241.423 1.791 20 0 BDADRP C1[C@@H]2CC[NH2+]CC[C@@H]2C[N@H+]1[C@H]1CCCSC1 ZINC001246935687 988768540 /nfs/dbraw/zinc/76/85/40/988768540.db2.gz WIXOQUWBQNKIFT-XQQFMLRXSA-N 2 0 240.416 1.813 20 0 BDADRP CCCN(CCC[NH+](C)C)[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246937872 988769654 /nfs/dbraw/zinc/76/96/54/988769654.db2.gz CVXRVYOPVHTCPJ-KBPBESRZSA-N 2 0 241.423 1.791 20 0 BDADRP CCN(C[C@@H]1CC[NH2+]C1)[C@@H]1CCCC[NH2+]C1 ZINC001246942991 988772211 /nfs/dbraw/zinc/77/22/11/988772211.db2.gz OVFRWIKLGGWPJI-CHWSQXEVSA-N 2 0 225.380 1.060 20 0 BDADRP CC(C)[C@H]1C[C@H](N2C[C@H](C)[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC001246941739 988774838 /nfs/dbraw/zinc/77/48/38/988774838.db2.gz BRWMRJLLAHPAQN-IGQOVBAYSA-N 2 0 239.407 1.445 20 0 BDADRP CC(C)[C@H]1C[C@@H](N2C[C@@H]3CC[C@H]2C[NH2+]3)CC[NH2+]1 ZINC001246943511 988775279 /nfs/dbraw/zinc/77/52/79/988775279.db2.gz KXCGROFOWOZGDK-XDQVBPFNSA-N 2 0 237.391 1.199 20 0 BDADRP CCN(C[C@H]1CC[NH2+]C1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246946135 988779721 /nfs/dbraw/zinc/77/97/21/988779721.db2.gz GDPKEBFUABYOBT-FRRDWIJNSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@H]1C[NH+](C2CCC3(C[NH2+]C3)CC2)C[C@H](C)N1 ZINC001246945646 988781989 /nfs/dbraw/zinc/78/19/89/988781989.db2.gz WQZORWUKEDNZGD-RYUDHWBXSA-N 2 0 237.391 1.201 20 0 BDADRP CC(C)N([C@@H]1CCC[NH2+]C1)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246956137 988784666 /nfs/dbraw/zinc/78/46/66/988784666.db2.gz WLDXVPLPAGYURQ-MELADBBJSA-N 2 0 239.407 1.589 20 0 BDADRP C[NH2+]CCN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)(C)C ZINC001246948786 988785725 /nfs/dbraw/zinc/78/57/25/988785725.db2.gz LVNRHJJLPXMCIN-FUNVUKJBSA-N 2 0 239.407 1.589 20 0 BDADRP C[NH2+]CC[C@H](C)N(C(C)C)[C@@H]1CCC[NH2+]C1 ZINC001246952612 988788434 /nfs/dbraw/zinc/78/84/34/988788434.db2.gz AQCZQKOVRFJTEE-QWHCGFSZSA-N 2 0 227.396 1.447 20 0 BDADRP CC[N@H+](C)C1CCN([C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246948886 988789857 /nfs/dbraw/zinc/78/98/57/988789857.db2.gz GKUNXDPYYHARLD-JSGCOSHPSA-N 2 0 239.407 1.543 20 0 BDADRP CC[C@H]([NH3+])CN(C)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246972211 988800892 /nfs/dbraw/zinc/80/08/92/988800892.db2.gz BGIMWJGTDKDMCV-YNEHKIRRSA-N 2 0 241.423 1.822 20 0 BDADRP CC[C@H]([NH3+])CN(C)[C@@H]1Cc2cccc(F)c2C1 ZINC001246972697 988801224 /nfs/dbraw/zinc/80/12/24/988801224.db2.gz FDMAFLNVSSXGGR-NWDGAFQWSA-N 2 0 236.334 1.962 20 0 BDADRP CC[C@H]([NH3+])CN(C)[C@H]1CC[NH2+][C@H](CC)C1 ZINC001246975425 988803705 /nfs/dbraw/zinc/80/37/05/988803705.db2.gz UGHWCSRIYCHDHN-TUAOUCFPSA-N 2 0 213.369 1.186 20 0 BDADRP CC[C@H]1C[C@@H](N(C(C)C)[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC001246976010 988806585 /nfs/dbraw/zinc/80/65/85/988806585.db2.gz VBIIGPWBKCAARX-IHRRRGAJSA-N 2 0 239.407 1.589 20 0 BDADRP CC(C)[C@H]1C[C@@H](N2C[C@H](C)C[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246982728 988816753 /nfs/dbraw/zinc/81/67/53/988816753.db2.gz JQPGXKYUZHJABB-YIYPIFLZSA-N 2 0 239.407 1.432 20 0 BDADRP C[C@@H]1C[C@H](N2CC[NH2+]C3=CCCC[C@@H]32)CC[NH2+]1 ZINC001246996526 988828968 /nfs/dbraw/zinc/82/89/68/988828968.db2.gz PBGBFFFZAKGMPQ-BZPMIXESSA-N 2 0 235.375 1.469 20 0 BDADRP C1=C2[NH2+]CCN([C@@H]3CCCC[NH2+]C3)[C@@H]2CCC1 ZINC001246997176 988829955 /nfs/dbraw/zinc/82/99/55/988829955.db2.gz RBZSTEMEONGNJN-TZMCWYRMSA-N 2 0 235.375 1.470 20 0 BDADRP CC[N@@H+]1CCN([C@H]2CC[NH2+][C@@H](C)C2)[C@H](C)C1 ZINC001246997927 988831258 /nfs/dbraw/zinc/83/12/58/988831258.db2.gz WDWGGQBVTRAPLR-XQQFMLRXSA-N 2 0 225.380 1.153 20 0 BDADRP C[N@@H+]1CCC[C@H](N2CC[C@H]3[NH2+]CCC[C@H]3C2)C1 ZINC001247016401 988845101 /nfs/dbraw/zinc/84/51/01/988845101.db2.gz UUFLRNCFEQMMGF-MELADBBJSA-N 2 0 237.391 1.155 20 0 BDADRP C[C@@H]1C[C@H](N2CC[C@H]3[NH2+]CCC[C@@H]3C2)CC[NH2+]1 ZINC001247016367 988845644 /nfs/dbraw/zinc/84/56/44/988845644.db2.gz ULQSAIQAEUANAC-AAVRWANBSA-N 2 0 237.391 1.201 20 0 BDADRP Cc1ccc([C@@H]([NH3+])C(=O)NCCC(C)(C)[NH3+])cc1 ZINC001119312284 988930068 /nfs/dbraw/zinc/93/00/68/988930068.db2.gz LHZUYDDAEOVQLN-GFCCVEGCSA-N 2 0 249.358 1.238 20 0 BDADRP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1cc(N)ncn1 ZINC001515752753 989112661 /nfs/dbraw/zinc/11/26/61/989112661.db2.gz CFKURQRNVCKLOJ-WDEREUQCSA-N 2 0 247.346 1.122 20 0 BDADRP CC1(C)[C@@H]([NH2+]CCc2cn[nH]c2)[C@@H]2CCC[NH2+][C@@H]21 ZINC001119630778 989266396 /nfs/dbraw/zinc/26/63/96/989266396.db2.gz JVPGCCLVFMCCTR-AGIUHOORSA-N 2 0 248.374 1.318 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)C(C)(C)CO)C1 ZINC001119688508 989332322 /nfs/dbraw/zinc/33/23/22/989332322.db2.gz HLSMUQIBWOPCFZ-QWHCGFSZSA-N 2 0 242.407 1.715 20 0 BDADRP C[C@@H]([NH3+])CN1C[C@@H](CC[NH3+])c2ccccc21 ZINC001119684368 989334392 /nfs/dbraw/zinc/33/43/92/989334392.db2.gz UUZBGUDECGJMDL-GHMZBOCLSA-N 2 0 219.332 1.286 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@H](Cn1cccn1)C(C)C ZINC001326037441 989336297 /nfs/dbraw/zinc/33/62/97/989336297.db2.gz WWKGXPYYARBWOO-CHWSQXEVSA-N 2 0 238.379 1.495 20 0 BDADRP C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC001326038767 989338802 /nfs/dbraw/zinc/33/88/02/989338802.db2.gz MIJHEMCZASFMLZ-MDZLAQPJSA-N 2 0 241.379 1.008 20 0 BDADRP COC[C@H](C)C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326202519 989421395 /nfs/dbraw/zinc/42/13/95/989421395.db2.gz RDDYKDGBRFIARC-CYBMUJFWSA-N 2 0 240.391 1.735 20 0 BDADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC001326688532 989653301 /nfs/dbraw/zinc/65/33/01/989653301.db2.gz SOBVYCRYRQUVEM-QJPTWQEYSA-N 2 0 241.379 1.103 20 0 BDADRP C[C@@H]1[NH2+]C[C@H](C)N(C(=O)CCCCC[NH3+])[C@H]1C ZINC001522823481 989879805 /nfs/dbraw/zinc/87/98/05/989879805.db2.gz BWJJQVPEHQKYKW-SRVKXCTJSA-N 2 0 241.379 1.103 20 0 BDADRP CC(C)C[N@H+](C)CCCNc1cc(N)ncn1 ZINC001120857856 989926545 /nfs/dbraw/zinc/92/65/45/989926545.db2.gz NUTJEANSHRXEMP-UHFFFAOYSA-N 2 0 237.351 1.449 20 0 BDADRP C[NH2+]C[C@@H](C)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC001523558508 989933413 /nfs/dbraw/zinc/93/34/13/989933413.db2.gz NEVITVPXBSPRMB-SNVBAGLBSA-N 2 0 249.358 1.674 20 0 BDADRP CCCCCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH3+])C1 ZINC001524167058 989979231 /nfs/dbraw/zinc/97/92/31/989979231.db2.gz AZWVLHLQXZHAGV-HAQNSBGRSA-N 2 0 241.379 1.104 20 0 BDADRP CC(C)(C)[C@@H]([NH3+])CC(=O)N[C@H]1CCC[NH2+]CC1 ZINC001122014205 990183122 /nfs/dbraw/zinc/18/31/22/990183122.db2.gz AGLSTGAFASHVSZ-QWRGUYRKSA-N 2 0 241.379 1.008 20 0 BDADRP CC[C@@H](C)C[C@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC001122073248 990221003 /nfs/dbraw/zinc/22/10/03/990221003.db2.gz DWHUFAHTVSWYPE-WISYIIOYSA-N 2 0 241.379 1.007 20 0 BDADRP C[NH2+]CCC(=O)N1C[C@H](CC[NH3+])c2ccccc21 ZINC001122111061 990244738 /nfs/dbraw/zinc/24/47/38/990244738.db2.gz YRMUSZDAQSITPT-NSHDSACASA-N 2 0 247.342 1.075 20 0 BDADRP CC(C)C[C@H]([NH3+])C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001122393325 990369165 /nfs/dbraw/zinc/36/91/65/990369165.db2.gz WNIZHNFITKBVGO-NEPJUHHUSA-N 2 0 241.379 1.008 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)Nc1ccccc1C[NH3+] ZINC001122433968 990385401 /nfs/dbraw/zinc/38/54/01/990385401.db2.gz XVLTUXBITLKSKH-ZYHUDNBSSA-N 2 0 247.342 1.457 20 0 BDADRP CCOC(=O)CCC[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC001258115849 991020856 /nfs/dbraw/zinc/02/08/56/991020856.db2.gz PERBZMVDLQLMHA-GRYCIOLGSA-N 2 0 242.363 1.578 20 0 BDADRP CCOC(=O)CCC[C@@H](C)[N@H+](C)C[C@@H](C)C[NH3+] ZINC001258113459 991023378 /nfs/dbraw/zinc/02/33/78/991023378.db2.gz WCUIQJNZOGPIHO-NWDGAFQWSA-N 2 0 244.379 1.635 20 0 BDADRP C[NH+](C)CCOc1ccc(C[NH+]2CC=CC2)cc1 ZINC001138770279 991035517 /nfs/dbraw/zinc/03/55/17/991035517.db2.gz XBHIHULJHXHGSB-UHFFFAOYSA-N 2 0 246.354 1.999 20 0 BDADRP C[C@@H](Cc1ccco1)NC(=[NH2+])NCCCC[NH3+] ZINC001258177970 991079670 /nfs/dbraw/zinc/07/96/70/991079670.db2.gz BCDDAUPSDOUUNO-JTQLQIEISA-N 2 0 238.335 1.063 20 0 BDADRP CCN1CCC[C@@H]([NH2+]CCC[C@H]2CCOC2)C1 ZINC001308765607 991125672 /nfs/dbraw/zinc/12/56/72/991125672.db2.gz OHVZJLXBHPOADD-UONOGXRCSA-N 2 0 240.391 1.877 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCn3ccnc32)C1 ZINC001308810469 991149891 /nfs/dbraw/zinc/14/98/91/991149891.db2.gz GWPCAHVXKSUSPZ-CHWSQXEVSA-N 2 0 248.374 1.649 20 0 BDADRP COC(=O)[C@H](C[NH3+])C[NH2+][C@@H]1CCCC(C)(C)C1 ZINC001258276341 991203058 /nfs/dbraw/zinc/20/30/58/991203058.db2.gz GZJXGBNFRXFILW-GHMZBOCLSA-N 2 0 242.363 1.293 20 0 BDADRP CC[NH+]1CCC(C[NH2+]C2(C)COC2)CC1 ZINC001308898345 991204792 /nfs/dbraw/zinc/20/47/92/991204792.db2.gz VEOWKLQQELXJRV-UHFFFAOYSA-N 2 0 212.337 1.097 20 0 BDADRP CN(CC[NH3+])CC[NH2+][C@@H]1CCCC(C)(C)C1 ZINC001258279668 991212255 /nfs/dbraw/zinc/21/22/55/991212255.db2.gz MYKDUAALLDZTNZ-GFCCVEGCSA-N 2 0 227.396 1.435 20 0 BDADRP CC[C@H](COC)[NH2+]C[C@@H]1C[NH+]2CCC1CC2 ZINC001308966624 991239177 /nfs/dbraw/zinc/23/91/77/991239177.db2.gz WGONLOSLQILBBK-CHWSQXEVSA-N 2 0 226.364 1.343 20 0 BDADRP C[NH+]1CCC2(C[NH+](Cc3ccc(=O)[nH]c3)C2)CC1 ZINC001139469050 991252105 /nfs/dbraw/zinc/25/21/05/991252105.db2.gz GUQLKYZHLDHGHW-UHFFFAOYSA-N 2 0 247.342 1.315 20 0 BDADRP COC(=O)CC[C@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC001258345353 991272420 /nfs/dbraw/zinc/27/24/20/991272420.db2.gz IBLDAEZBZDMKQQ-LBPRGKRZSA-N 2 0 242.363 1.404 20 0 BDADRP COC(=O)CC[C@H](C)[N@H+](C)CCC[NH+](C)C ZINC001258365479 991306302 /nfs/dbraw/zinc/30/63/02/991306302.db2.gz ZBSMUQUMBZWCGN-NSHDSACASA-N 2 0 230.352 1.212 20 0 BDADRP Cc1ccc(C[NH+]2CC3(C2)CC[NH+](C)CC3)nc1 ZINC001139842232 991401720 /nfs/dbraw/zinc/40/17/20/991401720.db2.gz BTCHRIAFWQTBHP-UHFFFAOYSA-N 2 0 245.370 1.918 20 0 BDADRP CCC[N@H+](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001317468289 991540342 /nfs/dbraw/zinc/54/03/42/991540342.db2.gz VGZUEQPNXUESJQ-LBPRGKRZSA-N 2 0 243.395 1.031 20 0 BDADRP CC[NH+]1CCC(C[N@H+](C)C[C@H]2CCCO2)CC1 ZINC001560733761 991577307 /nfs/dbraw/zinc/57/73/07/991577307.db2.gz YZSYMVPBUKQPOQ-CQSZACIVSA-N 2 0 240.391 1.829 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)CC1 ZINC001560763912 991588146 /nfs/dbraw/zinc/58/81/46/991588146.db2.gz QHXLUUVRKLWQFF-UONOGXRCSA-N 2 0 238.375 1.033 20 0 BDADRP CC[N@H+](CCC[NH+](C)C)C[C@H](C)OC ZINC001560811190 991611816 /nfs/dbraw/zinc/61/18/16/991611816.db2.gz BFTXQIKMHYIVMU-NSHDSACASA-N 2 0 202.342 1.295 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH3+])CC(C)(C)C1 ZINC001258685552 991617392 /nfs/dbraw/zinc/61/73/92/991617392.db2.gz OTHWLLIXVBAKTE-VWYCJHECSA-N 2 0 214.353 1.110 20 0 BDADRP C[C@@H](Cc1cccc(Cl)c1)[NH2+]C[C@@H](O)C[NH3+] ZINC001258739358 991688654 /nfs/dbraw/zinc/68/86/54/991688654.db2.gz XLJLRNSEXHGIAZ-CABZTGNLSA-N 2 0 242.750 1.180 20 0 BDADRP CCCC[C@@H](CCC)[NH2+]C[C@H](C[NH3+])C(=O)OC ZINC001258755059 991692774 /nfs/dbraw/zinc/69/27/74/991692774.db2.gz CMSVUVBSDIBFED-NWDGAFQWSA-N 2 0 244.379 1.683 20 0 BDADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](COC)C2CC2)C1 ZINC001319189384 991811776 /nfs/dbraw/zinc/81/17/76/991811776.db2.gz FSHVKRIEVBXEJN-GXTWGEPZSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1CCC[C@@H](NC(=[NH2+])SCC[NH3+])C1 ZINC001258808449 991815114 /nfs/dbraw/zinc/81/51/14/991815114.db2.gz QODPZDSQGHHWGW-RKDXNWHRSA-N 2 0 215.366 1.781 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+]CC1OCCO1 ZINC001258900904 991894148 /nfs/dbraw/zinc/89/41/48/991894148.db2.gz UAWFWFNVZUKYGU-LBPRGKRZSA-N 2 0 244.379 1.459 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]CC1CN(C)C1 ZINC001258902328 991894309 /nfs/dbraw/zinc/89/43/09/991894309.db2.gz SICULDJPRSZBBS-CYBMUJFWSA-N 2 0 241.423 1.648 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]CCOC(C)=O ZINC001258907170 991895022 /nfs/dbraw/zinc/89/50/22/991895022.db2.gz ONABERCCGJDAOM-GFCCVEGCSA-N 2 0 244.379 1.650 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@H]1CN ZINC001258899014 991896244 /nfs/dbraw/zinc/89/62/44/991896244.db2.gz BANGSNQCKCSGQS-KBPBESRZSA-N 2 0 241.423 1.920 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1C[C@@](C)(O)C1 ZINC001258899401 991896744 /nfs/dbraw/zinc/89/67/44/991896744.db2.gz KIRWVHJMCDUKIJ-MELADBBJSA-N 2 0 242.407 2.000 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+]CCN1CCC1 ZINC001258903040 991896947 /nfs/dbraw/zinc/89/69/47/991896947.db2.gz LCUYYWHFQVKIRU-AWEZNQCLSA-N 2 0 241.423 1.792 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1C[C@H](O)C1 ZINC001258900082 991896969 /nfs/dbraw/zinc/89/69/69/991896969.db2.gz ZTNQFPGUKVJUEV-JHJVBQTASA-N 2 0 228.380 1.610 20 0 BDADRP CC[C@@H]1C[C@@H](C[NH2+]CC[C@H](C)[NH2+]C)CCO1 ZINC001261370780 992275793 /nfs/dbraw/zinc/27/57/93/992275793.db2.gz UOUSVVGMYCHXMP-RWMBFGLXSA-N 2 0 228.380 1.779 20 0 BDADRP CC(C)C[NH2+]CC(=O)N(C)CCCCCC[NH3+] ZINC001262010932 992599220 /nfs/dbraw/zinc/59/92/20/992599220.db2.gz TXVIKJRNOUYUCP-UHFFFAOYSA-N 2 0 243.395 1.210 20 0 BDADRP CC[C@](C)(O)C[NH+]1CCC([C@H]2C[C@H]2[NH3+])CC1 ZINC001573673958 992670804 /nfs/dbraw/zinc/67/08/04/992670804.db2.gz QNAFFOHHSWVHGN-UPJWGTAASA-N 2 0 226.364 1.207 20 0 BDADRP C[NH+](C)[C@H]1CCCC[C@@H]1Nc1cc[nH+]c(CO)c1 ZINC001262354093 992855390 /nfs/dbraw/zinc/85/53/90/992855390.db2.gz YJQUSVTVLPYRQQ-KBPBESRZSA-N 2 0 249.358 1.859 20 0 BDADRP Cc1c([C@H](C)[NH2+]C2CC(C[NH3+])C2)cnn1C ZINC001262487847 992893857 /nfs/dbraw/zinc/89/38/57/992893857.db2.gz HYPSPAHELXAJBD-PUSIOWJLSA-N 2 0 222.336 1.116 20 0 BDADRP C(C1=NOCC1)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC001574773882 992903137 /nfs/dbraw/zinc/90/31/37/992903137.db2.gz GDLWVSCLZORCRA-NWDGAFQWSA-N 2 0 237.347 1.084 20 0 BDADRP C1[C@H]2CCC[C@@H]([NH2+][C@H]3C[C@H]4CC[C@@H]3[NH2+]4)[C@@H]12 ZINC001574795717 992911738 /nfs/dbraw/zinc/91/17/38/992911738.db2.gz PAXYBNASQATBTJ-QKFSQAGISA-N 2 0 206.333 1.658 20 0 BDADRP C1C[NH2+][C@H]([C@H]2CCC[C@H]2[NH2+][C@H]2CCOC2)C1 ZINC001574801593 992913516 /nfs/dbraw/zinc/91/35/16/992913516.db2.gz SHPHRNBJMHHZFP-QNWHQSFQSA-N 2 0 224.348 1.286 20 0 BDADRP C(C[C@H]1CC[NH2+]C1)[NH2+][C@]12CCC[C@H]1OCC2 ZINC001574816893 992919253 /nfs/dbraw/zinc/91/92/53/992919253.db2.gz OHYRXPGETZVZBF-UPJWGTAASA-N 2 0 224.348 1.287 20 0 BDADRP CC(C)(CF)[NH2+]CCC1([NH3+])CCOCC1 ZINC001575307844 993006487 /nfs/dbraw/zinc/00/64/87/993006487.db2.gz RXPKGYOZEPIAQR-UHFFFAOYSA-N 2 0 218.316 1.222 20 0 BDADRP CC(C)(C[NH3+])[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC001575317705 993009937 /nfs/dbraw/zinc/00/99/37/993009937.db2.gz IPDHCAZYWZHNIJ-PBINXNQUSA-N 2 0 214.378 1.740 20 0 BDADRP C[NH+](C)CCCNc1nc(N)[nH+]c2c1CCCC2 ZINC001262675363 993018595 /nfs/dbraw/zinc/01/85/95/993018595.db2.gz JQVRWFYVUGCBLP-UHFFFAOYSA-N 2 0 249.362 1.301 20 0 BDADRP CC(C)(O)[C@H]1CC[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001575378642 993027755 /nfs/dbraw/zinc/02/77/55/993027755.db2.gz QEBMSQLYSRVHRY-SDDRHHMPSA-N 2 0 226.364 1.207 20 0 BDADRP CC(C)(O)C[NH+]1CCC2(CCC[C@H]2C[NH3+])CC1 ZINC001575379850 993030246 /nfs/dbraw/zinc/03/02/46/993030246.db2.gz MIVINUAGMYIOTD-LBPRGKRZSA-N 2 0 240.391 1.598 20 0 BDADRP CC(C)[C@H](C[NH3+])C[NH2+]CCO[C@@H]1CCCCO1 ZINC001575422875 993042719 /nfs/dbraw/zinc/04/27/19/993042719.db2.gz NTDIWFMYGRATFG-CHWSQXEVSA-N 2 0 244.379 1.350 20 0 BDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCC[C@H]1CCO1 ZINC001575453935 993047216 /nfs/dbraw/zinc/04/72/16/993047216.db2.gz XPHKLHDWOYFACY-QWHCGFSZSA-N 2 0 228.380 1.861 20 0 BDADRP CC(C)[C@H](O)C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC001575473359 993053587 /nfs/dbraw/zinc/05/35/87/993053587.db2.gz UMNQUFIBOONIPI-OCCSQVGLSA-N 2 0 242.407 1.700 20 0 BDADRP CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@@]1(O)CC[NH2+]C1 ZINC001575499836 993059929 /nfs/dbraw/zinc/05/99/29/993059929.db2.gz YCUNDKUPIOCRLD-RWMBFGLXSA-N 2 0 226.364 1.125 20 0 BDADRP CC(C)CC[C@H](CO)[NH2+][C@H](C)C[C@H]1CCC[NH2+]1 ZINC001575555334 993072911 /nfs/dbraw/zinc/07/29/11/993072911.db2.gz RMQHAEBXYDNTPP-MGPQQGTHSA-N 2 0 242.407 1.904 20 0 BDADRP CC(C)CC[C@@H](O)C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(C)C1 ZINC001575566300 993073950 /nfs/dbraw/zinc/07/39/50/993073950.db2.gz UIUGYFFVJYMVFL-MCIONIFRSA-N 2 0 240.391 1.325 20 0 BDADRP CC(C)CC[C@@H](O)C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001575565730 993074277 /nfs/dbraw/zinc/07/42/77/993074277.db2.gz OPROINVVOLLRIH-HZSPNIEDSA-N 2 0 240.391 1.325 20 0 BDADRP CC(C)CC[NH+]1CCC(N[C@H](C)CC[NH3+])CC1 ZINC001575574973 993075039 /nfs/dbraw/zinc/07/50/39/993075039.db2.gz SQDUFRXOVWGVKW-CYBMUJFWSA-N 2 0 241.423 1.824 20 0 BDADRP CC(C)C[N@H+](C)CCC[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001575591049 993077217 /nfs/dbraw/zinc/07/72/17/993077217.db2.gz FGRBOMCAXSIMNC-MOKVOYLWSA-N 3 0 239.407 1.434 20 0 BDADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC001263107154 993118947 /nfs/dbraw/zinc/11/89/47/993118947.db2.gz PGBFAMSSXDYJFE-BJDJZHNGSA-N 2 0 241.379 1.007 20 0 BDADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC001575920800 993126389 /nfs/dbraw/zinc/12/63/89/993126389.db2.gz BGZQUYXGTDLSBL-NQBHXWOUSA-N 2 0 247.342 1.483 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ncccc1F ZINC001575951392 993135392 /nfs/dbraw/zinc/13/53/92/993135392.db2.gz APYGCVKWUOHTLH-VIFPVBQESA-N 2 0 211.284 1.438 20 0 BDADRP C[C@H](CC[NH+](C)C)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC001575951979 993137015 /nfs/dbraw/zinc/13/70/15/993137015.db2.gz AQOXASYLDFZGQV-MNOVXSKESA-N 2 0 243.395 1.064 20 0 BDADRP C[C@@H](CCO)CC[NH2+]C1CC(CC[NH3+])C1 ZINC001575967719 993144385 /nfs/dbraw/zinc/14/43/85/993144385.db2.gz OXXPMGYLSOBUEZ-VOMCLLRMSA-N 2 0 214.353 1.112 20 0 BDADRP C[C@H](CCn1cccn1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC001575973082 993145853 /nfs/dbraw/zinc/14/58/53/993145853.db2.gz WOVKXRMVIRNBOO-UPJWGTAASA-N 2 0 236.363 1.107 20 0 BDADRP CC(C)OC[C@H](C)[NH2+]C[C@H]1CCC[NH2+]CC1 ZINC001576041538 993164968 /nfs/dbraw/zinc/16/49/68/993164968.db2.gz PLEQIXVBZIGEFL-STQMWFEESA-N 2 0 228.380 1.779 20 0 BDADRP C[C@H](Cc1ccno1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC001576066597 993171401 /nfs/dbraw/zinc/17/14/01/993171401.db2.gz OLOLVAQOTJGGDZ-MXWKQRLJSA-N 2 0 223.320 1.051 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cc[nH]c(=O)c2)CC1 ZINC001576120357 993185765 /nfs/dbraw/zinc/18/57/65/993185765.db2.gz SWGOMYKDNPJYOR-SNVBAGLBSA-N 2 0 235.331 1.346 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc[nH]c(=O)c2)C1 ZINC001576116918 993187552 /nfs/dbraw/zinc/18/75/52/993187552.db2.gz BSJUKTMSXBVANK-ZYHUDNBSSA-N 2 0 235.331 1.346 20 0 BDADRP CO[C@@H]1CCC[C@@H]([N@@H+]2CCC[C@@H]([NH3+])CC2)C1 ZINC000378665152 993197723 /nfs/dbraw/zinc/19/77/23/993197723.db2.gz FPNRRQKTWLYURO-JHJVBQTASA-N 2 0 226.364 1.757 20 0 BDADRP C[C@@H]([NH3+])CN1CCC[C@]1(CO)c1ccccc1 ZINC001576157660 993198060 /nfs/dbraw/zinc/19/80/60/993198060.db2.gz UEOGTCFNEUEONF-OCCSQVGLSA-N 2 0 234.343 1.317 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)Nc1ccccc1C[NH3+] ZINC001263266414 993198985 /nfs/dbraw/zinc/19/89/85/993198985.db2.gz OXAIAEKXWGAUJQ-LBPRGKRZSA-N 2 0 249.358 1.847 20 0 BDADRP [NH3+]CCN(CC[NH3+])Cc1csc(Cl)c1 ZINC000378992753 993213329 /nfs/dbraw/zinc/21/33/29/993213329.db2.gz GYNCOMMZNMZHEC-UHFFFAOYSA-N 2 0 233.768 1.121 20 0 BDADRP C[C@@H]([NH2+][C@@H]1[C@@H]2CCC[C@@H]21)[C@H]1CCCC[NH2+]1 ZINC001576239043 993225001 /nfs/dbraw/zinc/22/50/01/993225001.db2.gz KTOYCYIUGQSUKR-UJPOAAIJSA-N 2 0 208.349 1.905 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)[C@H]1COC(C)(C)O1 ZINC001576239007 993226104 /nfs/dbraw/zinc/22/61/04/993226104.db2.gz KKCYQEHHRHZGKN-WHOHXGKFSA-N 2 0 242.363 1.243 20 0 BDADRP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H]1[NH2+]2)C1CCOCC1 ZINC001576252063 993231671 /nfs/dbraw/zinc/23/16/71/993231671.db2.gz PGFMULRRVWVQTA-XEZLXBQYSA-N 2 0 224.348 1.284 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CC(C)(C)CC[C@H]1O)C1C[NH2+]C1 ZINC001576252201 993234858 /nfs/dbraw/zinc/23/48/58/993234858.db2.gz PZAOXHSJXUGPSW-YUSALJHKSA-N 2 0 226.364 1.124 20 0 BDADRP C[C@H](O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC001576267578 993240437 /nfs/dbraw/zinc/24/04/37/993240437.db2.gz WYPUQDHSRUPYDN-CYDGBPFRSA-N 2 0 226.364 1.077 20 0 BDADRP COC[C@@H](C)[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC000379581621 993256772 /nfs/dbraw/zinc/25/67/72/993256772.db2.gz KWURKAQCAJXSRR-GHMZBOCLSA-N 2 0 200.326 1.082 20 0 BDADRP C[N@@H+]1CC[C@H](Oc2cccc(C[NH3+])c2)C1 ZINC000379802511 993280291 /nfs/dbraw/zinc/28/02/91/993280291.db2.gz KUAKXKOXGLLNIE-LBPRGKRZSA-N 2 0 206.289 1.228 20 0 BDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC[C@H]1CCCO1 ZINC001576380330 993281671 /nfs/dbraw/zinc/28/16/71/993281671.db2.gz OJDMYHCZZKTFAQ-VWYCJHECSA-N 2 0 212.337 1.271 20 0 BDADRP CC1(C)CCC[N@@H+]1CCN[C@@H]1CCC[NH2+]C1 ZINC001576434349 993302759 /nfs/dbraw/zinc/30/27/59/993302759.db2.gz RYXLNDUBWRRPGK-GFCCVEGCSA-N 2 0 225.380 1.202 20 0 BDADRP CC1(C)CC[C@@H](O)[C@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC001576446138 993308472 /nfs/dbraw/zinc/30/84/72/993308472.db2.gz KJGYMVYVNQELSS-VXGBXAGGSA-N 2 0 226.364 1.268 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](C)CCO ZINC000380171918 993319029 /nfs/dbraw/zinc/31/90/29/993319029.db2.gz HWZKNEFAFSJTHI-RYUDHWBXSA-N 2 0 216.369 1.467 20 0 BDADRP CC1(C)[C@H]2[C@H](CCC[N@@H+]2CCC2C[NH2+]C2)[C@@H]1O ZINC001576495635 993321740 /nfs/dbraw/zinc/32/17/40/993321740.db2.gz YMXJUWUFNLKITC-XQQFMLRXSA-N 2 0 238.375 1.077 20 0 BDADRP C[C@]1(C[N@@H+]2CC[C@@H](C[NH3+])C2)CCCCO1 ZINC001576503999 993323909 /nfs/dbraw/zinc/32/39/09/993323909.db2.gz ZYJIZVINHGJVNC-NWDGAFQWSA-N 2 0 212.337 1.226 20 0 BDADRP C[C@]1(C[NH2+]C2CC3(C[C@H]3[NH3+])C2)CCCCO1 ZINC001576519113 993330615 /nfs/dbraw/zinc/33/06/15/993330615.db2.gz KKBLAQKVOYSUND-QZQSVVMZSA-N 2 0 224.348 1.415 20 0 BDADRP C[C@]1(O)CCC[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC001576547740 993341374 /nfs/dbraw/zinc/34/13/74/993341374.db2.gz XMIWWLKDSBWEFP-XQQFMLRXSA-N 2 0 226.364 1.351 20 0 BDADRP CC[NH+](CC)C[C@@H](O)C[NH+]1CCCCCC1 ZINC000380674336 993342945 /nfs/dbraw/zinc/34/29/45/993342945.db2.gz COHSZRWJAWISFV-CYBMUJFWSA-N 2 0 228.380 1.565 20 0 BDADRP C[C@@H]1C[C@H](CO)C[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001576596864 993360635 /nfs/dbraw/zinc/36/06/35/993360635.db2.gz BEFKNWCDHXYQAJ-MROQNXINSA-N 2 0 226.364 1.064 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H]2CO)CC[NH2+]1 ZINC001576596880 993360621 /nfs/dbraw/zinc/36/06/21/993360621.db2.gz BLQQEUQLYRFSMZ-FDYHWXHSSA-N 2 0 226.364 1.125 20 0 BDADRP C[C@H]1C[C@@H](C[NH2+][C@@H]2CCCC[C@H]2O)CC[NH2+]1 ZINC001576599404 993363714 /nfs/dbraw/zinc/36/37/14/993363714.db2.gz UOIVPDWPGVIXFB-WUHRBBMRSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC[C@H]([NH3+])Cc2ccccc2)CO1 ZINC001576622110 993372592 /nfs/dbraw/zinc/37/25/92/993372592.db2.gz AIRNNVRNZYDDMR-VHDGCEQUSA-N 2 0 248.370 1.714 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[NH2+]CC2)[C@@H](C)O1 ZINC001576622894 993372896 /nfs/dbraw/zinc/37/28/96/993372896.db2.gz HVLZRJFJBIMETI-MQYQWHSLSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC[C@@H]([NH3+])Cc2ccccc2)CO1 ZINC001576622113 993373020 /nfs/dbraw/zinc/37/30/20/993373020.db2.gz AIRNNVRNZYDDMR-YUELXQCFSA-N 2 0 248.370 1.714 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)c2nccn21 ZINC001576624646 993374316 /nfs/dbraw/zinc/37/43/16/993374316.db2.gz RYSKMUNIISJLRP-NNYUYHANSA-N 2 0 234.347 1.606 20 0 BDADRP C[C@@H]1CCC[C@H]([NH2+]C[C@]2(O)CC[NH2+]C2)CC1 ZINC001576679651 993391903 /nfs/dbraw/zinc/39/19/03/993391903.db2.gz FGCGYBLFBPJJDT-AGIUHOORSA-N 2 0 226.364 1.269 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@H]2CCCC[NH2+]C2)C[C@H]1CO ZINC001576728990 993404813 /nfs/dbraw/zinc/40/48/13/993404813.db2.gz BKTZFCILYQWLCP-RDBSUJKOSA-N 2 0 240.391 1.326 20 0 BDADRP C[C@@H]1C[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C[C@H](C)[C@H]1O ZINC001576806545 993426222 /nfs/dbraw/zinc/42/62/22/993426222.db2.gz HROYJPSMUKFMEK-OBPIAQAESA-N 2 0 226.364 1.063 20 0 BDADRP C1[C@@H]2CCCC[C@@H]2C[N@H+]1[C@H]1CCC[NH2+]C1 ZINC000381910626 993431674 /nfs/dbraw/zinc/43/16/74/993431674.db2.gz ZSGQHCGQDSDDEH-XQQFMLRXSA-N 2 0 208.349 1.860 20 0 BDADRP C[C@H]1COCC[C@H]1[NH2+]C1CC2(CC([NH3+])C2)C1 ZINC001576853130 993433765 /nfs/dbraw/zinc/43/37/65/993433765.db2.gz HETOEPBBLPDKCP-ZBHCNIRXSA-N 2 0 224.348 1.271 20 0 BDADRP CC[C@H](C)[C@H](C[N@@H+]1CC[C@H](CC[NH3+])C1)OC ZINC001576960943 993470334 /nfs/dbraw/zinc/47/03/34/993470334.db2.gz IUZQMTYZZHZTEW-AVGNSLFASA-N 2 0 228.380 1.718 20 0 BDADRP CC[C@H](C)[C@@H](C)[NH2+]C[C@H]([NH3+])CCOC ZINC001576962618 993470811 /nfs/dbraw/zinc/47/08/11/993470811.db2.gz UCGNBDSZSRHERB-HBNTYKKESA-N 2 0 202.342 1.374 20 0 BDADRP CCC(CC)(C[NH3+])C[NH2+][C@@H]1CCC[C@H]1O ZINC001577052154 993490916 /nfs/dbraw/zinc/49/09/16/993490916.db2.gz KJLFKHOMWAKBJG-GHMZBOCLSA-N 2 0 214.353 1.255 20 0 BDADRP CC[C@H](C[C@@H](C)O)[NH2+]CCC1([NH3+])CCOCC1 ZINC001577043284 993485483 /nfs/dbraw/zinc/48/54/83/993485483.db2.gz FGUUQZZEHAWVGG-VXGBXAGGSA-N 2 0 244.379 1.024 20 0 BDADRP CCC(CC)(CCO)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001577050126 993489287 /nfs/dbraw/zinc/48/92/87/993489287.db2.gz JTQSWRZVRLWAOG-GFCCVEGCSA-N 2 0 228.380 1.517 20 0 BDADRP CCC(CC)(C[NH3+])[NH2+]C[C@H]1CCC=CO1 ZINC001577058672 993490144 /nfs/dbraw/zinc/49/01/44/993490144.db2.gz BLESVPVWDZTDCJ-LLVKDONJSA-N 2 0 212.337 1.786 20 0 BDADRP CCC(O)(CC)C[NH2+]C[C@H]([NH3+])CC(F)F ZINC001577179220 993531314 /nfs/dbraw/zinc/53/13/14/993531314.db2.gz GOXOYFPWBKZZCT-MRVPVSSYSA-N 2 0 224.295 1.110 20 0 BDADRP CC[C@H]([NH2+]C[C@H]([NH3+])CCOC)C1CCOCC1 ZINC001577175858 993532470 /nfs/dbraw/zinc/53/24/70/993532470.db2.gz JXSMUQNMUKFUDN-OLZOCXBDSA-N 2 0 244.379 1.145 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)[C@H](O)C(C)C ZINC001577176099 993532994 /nfs/dbraw/zinc/53/29/94/993532994.db2.gz SGZHTQHTBVFABL-FRRDWIJNSA-N 2 0 228.380 1.371 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)[C@@H](O)C(C)C ZINC001577176098 993534431 /nfs/dbraw/zinc/53/44/31/993534431.db2.gz SGZHTQHTBVFABL-AGIUHOORSA-N 2 0 228.380 1.371 20 0 BDADRP CCC(O)(CC)CC[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001577179554 993539399 /nfs/dbraw/zinc/53/93/99/993539399.db2.gz QXUWHHDFMINERK-MOENNCHZSA-N 2 0 226.364 1.397 20 0 BDADRP CC[C@H]1CCC[C@H]([NH2+]C[C@H]2C[NH2+]C[C@H]2O)C1 ZINC001577246899 993550812 /nfs/dbraw/zinc/55/08/12/993550812.db2.gz VZEHTXYUWAAMSS-QNWHQSFQSA-N 2 0 226.364 1.125 20 0 BDADRP CCC[C@H](C)[C@@H](CO)NC[C@H]1CCC[NH2+]1 ZINC001577335784 993595873 /nfs/dbraw/zinc/59/58/73/993595873.db2.gz BQMPXZRKZOEZEC-QJPTWQEYSA-N 2 0 214.353 1.125 20 0 BDADRP CCC[C@H]([NH2+]C[C@H](O)CC[NH3+])C1CCC1 ZINC001577365179 993617690 /nfs/dbraw/zinc/61/76/90/993617690.db2.gz AKCBVAABOMFWEH-NEPJUHHUSA-N 2 0 214.353 1.255 20 0 BDADRP CCCC[N@H+](CCCO)C[C@H]1C[C@@H]([NH3+])C1 ZINC001577454716 993669446 /nfs/dbraw/zinc/66/94/46/993669446.db2.gz LRLQOKUBXOBTTH-TXEJJXNPSA-N 2 0 214.353 1.208 20 0 BDADRP CCCN(CC[NH+](CC)CC)C[C@H](C)[NH3+] ZINC001577519648 993675762 /nfs/dbraw/zinc/67/57/62/993675762.db2.gz QZKIKBFLAIZQTG-LBPRGKRZSA-N 2 0 215.385 1.387 20 0 BDADRP CCCN(CC[NH+](CC)CC)C(=O)C[C@@H](C)[NH3+] ZINC001577519691 993676656 /nfs/dbraw/zinc/67/66/56/993676656.db2.gz SNHAMUVZVUHHHW-GFCCVEGCSA-N 2 0 243.395 1.304 20 0 BDADRP CCCN(C[C@H]1CC[NH2+]C1)[C@H](C)C(=O)OCC ZINC001577516275 993677615 /nfs/dbraw/zinc/67/76/15/993677615.db2.gz JWHAUYQTSAZUOV-NEPJUHHUSA-N 2 0 242.363 1.260 20 0 BDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@H](CC)[NH2+]C ZINC001577510172 993677920 /nfs/dbraw/zinc/67/79/20/993677920.db2.gz DULJRNRMPFNWCF-NEPJUHHUSA-N 2 0 243.395 1.221 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)Nc1ccc2c[nH+]cn2c1 ZINC001577555299 993688496 /nfs/dbraw/zinc/68/84/96/993688496.db2.gz YYHXVDGXLRAXOJ-SNVBAGLBSA-N 2 0 246.314 1.661 20 0 BDADRP CCCn1cc(C[NH2+][C@H]2C[C@H](C[NH3+])C2)c(C)n1 ZINC001577622025 993696332 /nfs/dbraw/zinc/69/63/32/993696332.db2.gz FRCXIOOMDOVKAE-AULYBMBSSA-N 2 0 236.363 1.428 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)[C@H]1CCCOC1 ZINC000389045292 993737525 /nfs/dbraw/zinc/73/75/25/993737525.db2.gz IBBBNCFDRLICSR-AVGNSLFASA-N 2 0 226.364 1.391 20 0 BDADRP [NH3+]C[C@@H]1CCCC[N@H+](Cc2ccco2)C1 ZINC000389642736 993759172 /nfs/dbraw/zinc/75/91/72/993759172.db2.gz RGBPMVZWFGOYTQ-NSHDSACASA-N 2 0 208.305 1.840 20 0 BDADRP [NH3+]C[C@@H]1CCCC[N@@H+](C2CCSCC2)C1 ZINC000389752618 993763002 /nfs/dbraw/zinc/76/30/02/993763002.db2.gz ZKOPMGLBMGTVFG-NSHDSACASA-N 2 0 228.405 1.943 20 0 BDADRP CC(C)O[C@H]1CC[N@H+](CCCC[NH3+])C1 ZINC000701695917 993901119 /nfs/dbraw/zinc/90/11/19/993901119.db2.gz WXHPOKIKYBVHBB-NSHDSACASA-N 2 0 200.326 1.225 20 0 BDADRP [NH3+][C@@H]1CCC[N@H+](CC2CCOCC2)CC1 ZINC000393211556 993915437 /nfs/dbraw/zinc/91/54/37/993915437.db2.gz MDSVEXCVNHBBFE-GFCCVEGCSA-N 2 0 212.337 1.226 20 0 BDADRP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC001336854545 995111778 /nfs/dbraw/zinc/11/17/78/995111778.db2.gz OCHQTIUDXFXPLB-XGFWRYKXSA-N 2 0 238.375 1.077 20 0 BDADRP C[C@H](O)[C@H](C)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC001307609226 995415894 /nfs/dbraw/zinc/41/58/94/995415894.db2.gz MRFFDGKJKIDSMV-RYUDHWBXSA-N 2 0 226.364 1.316 20 0 BDADRP C[C@H]1C[N@H+](CCC2CC[NH2+]CC2)C[C@H]1C ZINC000086010232 136211882 /nfs/dbraw/zinc/21/18/82/136211882.db2.gz XWSBOEJYIXKJMF-TXEJJXNPSA-N 2 0 210.365 1.964 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)C2CCCCC2)C1 ZINC000572899628 398148230 /nfs/dbraw/zinc/14/82/30/398148230.db2.gz FYAHORDHFBIJNY-MGPQQGTHSA-N 2 0 240.391 1.787 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCOc1cccc(F)c1 ZINC000422942127 398159190 /nfs/dbraw/zinc/15/91/90/398159190.db2.gz KEATYSAOUDUOEM-GHMZBOCLSA-N 2 0 240.322 1.920 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)Cc1cccs1 ZINC000379574828 398153138 /nfs/dbraw/zinc/15/31/38/398153138.db2.gz LAHAQUUTDFAWQL-UWVGGRQHSA-N 2 0 212.362 1.864 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)[C@H](C)[NH+](C)C)cc1 ZINC000649365402 398177889 /nfs/dbraw/zinc/17/78/89/398177889.db2.gz GSBPAVUGWWECAN-JTQLQIEISA-N 2 0 235.331 1.295 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC000424293753 398181388 /nfs/dbraw/zinc/18/13/88/398181388.db2.gz PYEOXVJAWHVPDL-YNEHKIRRSA-N 2 0 226.364 1.805 20 0 BDADRP COC[C@H]([NH2+]CC1([NH3+])CCCCC1)C(C)C ZINC000423174595 398164280 /nfs/dbraw/zinc/16/42/80/398164280.db2.gz BGRGZEJAAKDCFM-LBPRGKRZSA-N 2 0 228.380 1.909 20 0 BDADRP Nc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000342083901 398187900 /nfs/dbraw/zinc/18/79/00/398187900.db2.gz LCIKNKAGNJSAML-AEGPPILISA-N 2 0 245.370 1.828 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)c1ccccc1CC[NH3+] ZINC000576236578 365532932 /nfs/dbraw/zinc/53/29/32/365532932.db2.gz UDFWNEOLTAHPJY-WDEREUQCSA-N 2 0 249.358 1.043 20 0 BDADRP C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430920060 192027539 /nfs/dbraw/zinc/02/75/39/192027539.db2.gz NJGRDNBBAZIJNZ-HZSPNIEDSA-N 2 0 240.391 1.862 20 0 BDADRP COCC1(CC[NH2+][C@H](C)CCC[NH3+])CC1 ZINC000647801155 398207649 /nfs/dbraw/zinc/20/76/49/398207649.db2.gz PYKRYHGMROILEJ-LLVKDONJSA-N 2 0 214.353 1.520 20 0 BDADRP CC(C)[NH+]1CCC(N(C)C[C@H]2CC[NH2+]C2)CC1 ZINC000649411303 398209169 /nfs/dbraw/zinc/20/91/69/398209169.db2.gz FZVARDRXNDXXGO-ZDUSSCGKSA-N 2 0 239.407 1.401 20 0 BDADRP Cc1cc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)no1 ZINC000069724282 398213768 /nfs/dbraw/zinc/21/37/68/398213768.db2.gz KGPLDUATYWZWTP-LLVKDONJSA-N 2 0 223.320 1.544 20 0 BDADRP Cc1cc(C)n(CC[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)n1 ZINC000386777391 398219780 /nfs/dbraw/zinc/21/97/80/398219780.db2.gz LMUGTOIPWIKYSH-AWEZNQCLSA-N 2 0 248.374 1.185 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCS[C@H]1C ZINC000647803970 398214549 /nfs/dbraw/zinc/21/45/49/398214549.db2.gz GGOCRYXUECNZOK-XKNYDFJKSA-N 2 0 202.367 1.596 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCS[C@H]1C ZINC000647803987 398214603 /nfs/dbraw/zinc/21/46/03/398214603.db2.gz GZZHWQWQBMSZBN-HTFCKZLJSA-N 2 0 244.404 1.222 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1C ZINC000380980438 398216356 /nfs/dbraw/zinc/21/63/56/398216356.db2.gz CHGXLPNFZFJTGS-QWHCGFSZSA-N 2 0 228.380 1.562 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H](C)C[NH3+])cc1 ZINC000576389168 365582871 /nfs/dbraw/zinc/58/28/71/365582871.db2.gz NJUZIJOOTPACQT-IUCAKERBSA-N 2 0 221.304 1.240 20 0 BDADRP Cc1nn(C)cc1[C@H]1CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000649414341 398213046 /nfs/dbraw/zinc/21/30/46/398213046.db2.gz UIUCTOAAUVBHHG-GXTWGEPZSA-N 2 0 248.374 1.475 20 0 BDADRP Cc1cc(NC[C@H](C)C[NH+]2CCOCC2)cc[nH+]1 ZINC000274931626 178169274 /nfs/dbraw/zinc/16/92/74/178169274.db2.gz QXEJNHDDTIAIHO-LBPRGKRZSA-N 2 0 249.358 1.770 20 0 BDADRP Cc1cc(C)n(CCN(C)[C@H](C[NH3+])C2CC2)n1 ZINC000386797274 398220200 /nfs/dbraw/zinc/22/02/00/398220200.db2.gz PKOGGPNSSULPID-CYBMUJFWSA-N 2 0 236.363 1.169 20 0 BDADRP CC[C@@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000020200446 538931032 /nfs/dbraw/zinc/93/10/32/538931032.db2.gz YWGJSIVGLDZWJQ-GFCCVEGCSA-N 2 0 227.396 1.401 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)C1 ZINC000381168025 398231572 /nfs/dbraw/zinc/23/15/72/398231572.db2.gz SUMHOQSWQVGLOW-YNEHKIRRSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@@H]1C[C@H](N2CCC[C@H]([NH+](C)C)C2)CC[NH2+]1 ZINC000229549135 538939569 /nfs/dbraw/zinc/93/95/69/538939569.db2.gz WROMIHKYSGXTLR-UPJWGTAASA-N 2 0 225.380 1.153 20 0 BDADRP C[C@@H]1C[C@@H](N(C)C2CC[NH+](C)CC2)CC[NH2+]1 ZINC000229539070 538939789 /nfs/dbraw/zinc/93/97/89/538939789.db2.gz KBXISIOZTSHBLY-YPMHNXCESA-N 2 0 225.380 1.153 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[C@H]2O)C1 ZINC000576479977 365608166 /nfs/dbraw/zinc/60/81/66/365608166.db2.gz SPKZMMKVYCVGSZ-IRCOFANPSA-N 2 0 212.337 1.007 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)c1ccsc1 ZINC000231980509 136228948 /nfs/dbraw/zinc/22/89/48/136228948.db2.gz WUMDYSKPQGZMOL-ZMLRMANQSA-N 2 0 240.372 1.499 20 0 BDADRP CC1(C)OCC[C@@H]1[NH2+][C@H]1CCN(CC2CC2)C1 ZINC000645406944 398246132 /nfs/dbraw/zinc/24/61/32/398246132.db2.gz HUYYHDMBOIBIJB-STQMWFEESA-N 2 0 238.375 1.628 20 0 BDADRP COC(C)(C)[C@H](C)[NH2+][C@H]1CCN(CC2CC2)C1 ZINC000645406962 398246191 /nfs/dbraw/zinc/24/61/91/398246191.db2.gz MQRDWELAGXBECP-AAEUAGOBSA-N 2 0 240.391 1.874 20 0 BDADRP CO[C@H](C[NH2+][C@H](C)CCC[NH3+])C1CC1 ZINC000356358079 398247349 /nfs/dbraw/zinc/24/73/49/398247349.db2.gz WRAHHRXWGHEPGP-MWLCHTKSSA-N 2 0 200.326 1.128 20 0 BDADRP CC(C)[C@@H]1C[N@H+](C[C@H]2CC[NH2+]C2)CCS1 ZINC000390756816 398247375 /nfs/dbraw/zinc/24/73/75/398247375.db2.gz IIYBACMEANFYOM-RYUDHWBXSA-N 2 0 228.405 1.669 20 0 BDADRP [NH3+]CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000576703094 365662926 /nfs/dbraw/zinc/66/29/26/365662926.db2.gz AMWOUYPHNRKBAS-NWDGAFQWSA-N 2 0 212.337 1.226 20 0 BDADRP C[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)C[NH+](C)C ZINC000383660650 398258564 /nfs/dbraw/zinc/25/85/64/398258564.db2.gz JGMCYRIOWVKLPN-CHWSQXEVSA-N 3 0 241.423 1.504 20 0 BDADRP C[C@H](O)[C@H](C)[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000576747311 365674014 /nfs/dbraw/zinc/67/40/14/365674014.db2.gz PRHOWHFQWJXTPR-GMXVVIOVSA-N 2 0 226.364 1.362 20 0 BDADRP CCOC[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000162139416 349574132 /nfs/dbraw/zinc/57/41/32/349574132.db2.gz IHPXWKKVGKMWRH-KGLIPLIRSA-N 2 0 240.391 1.829 20 0 BDADRP COC[C@@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000166569557 361853194 /nfs/dbraw/zinc/85/31/94/361853194.db2.gz AAPKPKCEPJIIRX-LLVKDONJSA-N 2 0 202.342 1.341 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C2CCC(C[NH3+])CC2)CS1 ZINC000335611714 136237210 /nfs/dbraw/zinc/23/72/10/136237210.db2.gz IHUASAGZTHHTPX-XKGSQUFQSA-N 2 0 228.405 1.988 20 0 BDADRP COc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000631838659 398285135 /nfs/dbraw/zinc/28/51/35/398285135.db2.gz SKNUIMHOZGJYME-WCQYABFASA-N 2 0 234.343 1.722 20 0 BDADRP Fc1cccc(CCC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000348749026 136237965 /nfs/dbraw/zinc/23/79/65/136237965.db2.gz MKUWIDSEWWCMFE-ZIAGYGMSSA-N 2 0 248.345 1.910 20 0 BDADRP CC[N@H+](C)C[C@@H](O)CN1CC(CC)(CC)C1 ZINC000309710175 342794420 /nfs/dbraw/zinc/79/44/20/342794420.db2.gz JQDWFAFZDZOKIL-GFCCVEGCSA-N 2 0 228.380 1.421 20 0 BDADRP Cn1ccnc1-c1ccc([C@H]2COCC[NH2+]2)cc1 ZINC000630053387 361923783 /nfs/dbraw/zinc/92/37/83/361923783.db2.gz UFUDHCAZDLVZHE-CYBMUJFWSA-N 2 0 243.310 1.748 20 0 BDADRP CCOC[C@H](C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000044690784 538990238 /nfs/dbraw/zinc/99/02/38/538990238.db2.gz CKRINUSVTUHCHK-NWDGAFQWSA-N 2 0 228.380 1.731 20 0 BDADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)CCC[NH3+] ZINC000417823828 398294739 /nfs/dbraw/zinc/29/47/39/398294739.db2.gz AOKKBULVYAVRLZ-CYBMUJFWSA-N 2 0 249.358 1.104 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000381300228 538997620 /nfs/dbraw/zinc/99/76/20/538997620.db2.gz DDEMUHIWJBCNII-UPJWGTAASA-N 2 0 228.380 1.874 20 0 BDADRP C[C@@H]1CN(CCC[NH2+]C2CSC2)CCCO1 ZINC000390510312 539022660 /nfs/dbraw/zinc/02/26/60/539022660.db2.gz ZGJSDVJDXIYARW-LLVKDONJSA-N 2 0 244.404 1.192 20 0 BDADRP c1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccn1 ZINC000335634103 136241694 /nfs/dbraw/zinc/24/16/94/136241694.db2.gz MFWBZADRNJSCRE-GJZGRUSLSA-N 2 0 245.370 1.903 20 0 BDADRP CCC[C@@H](C[NH2+]CC1=CC[N@H+](C)CC1)OC ZINC000392292267 398317976 /nfs/dbraw/zinc/31/79/76/398317976.db2.gz MURSIYPYJNOBIG-ZDUSSCGKSA-N 2 0 226.364 1.653 20 0 BDADRP Nc1cccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000351482151 136246293 /nfs/dbraw/zinc/24/62/93/136246293.db2.gz ZEYLLXFXAUNSGR-YUTCNCBUSA-N 2 0 231.343 1.438 20 0 BDADRP CO[C@H](C)CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000308540010 346881817 /nfs/dbraw/zinc/88/18/17/346881817.db2.gz IHYVBPSDJFAPAW-VWYCJHECSA-N 2 0 200.326 1.271 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CC(C1CC1)C1CC1 ZINC000234712330 342939427 /nfs/dbraw/zinc/93/94/27/342939427.db2.gz NISAFLMNNIYPNG-CYBMUJFWSA-N 2 0 240.391 1.766 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000358146545 398339250 /nfs/dbraw/zinc/33/92/50/398339250.db2.gz DGEAGZFKWBANNC-YIYPIFLZSA-N 2 0 242.407 1.856 20 0 BDADRP Cc1noc(C)c1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000228074911 398340938 /nfs/dbraw/zinc/34/09/38/398340938.db2.gz WWQCWEMEGJKIDX-LDYMZIIASA-N 2 0 223.320 1.461 20 0 BDADRP CC(C)C[C@H](C)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313354100 259333726 /nfs/dbraw/zinc/33/37/26/259333726.db2.gz QARRZMCEJUKDFR-QWHCGFSZSA-N 2 0 228.380 1.718 20 0 BDADRP CCc1cc(NC[C@@H]2C[N@H+](C)CCN2C)cc[nH+]1 ZINC000307774995 529556464 /nfs/dbraw/zinc/55/64/64/529556464.db2.gz RWLNMRDHFGAHJL-CQSZACIVSA-N 2 0 248.374 1.302 20 0 BDADRP CC[C@@]1(O)CC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000495260836 529574235 /nfs/dbraw/zinc/57/42/35/529574235.db2.gz HZFZFUUGRZVZRN-CHWSQXEVSA-N 2 0 226.364 1.318 20 0 BDADRP O[C@@H](C[NH2+][C@@H]1CCC(F)(F)C1)C[NH+]1CCCC1 ZINC000384017981 343018416 /nfs/dbraw/zinc/01/84/16/343018416.db2.gz PKPCMPVQAWNKRW-MNOVXSKESA-N 2 0 248.317 1.221 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@H]2CCOC2)CC1 ZINC000037996235 343042490 /nfs/dbraw/zinc/04/24/90/343042490.db2.gz HTMNDPPWLPTVRD-LLVKDONJSA-N 2 0 212.337 1.097 20 0 BDADRP CC(C)C[C@@H]([NH3+])c1noc([C@@H]2CC23C[NH2+]C3)n1 ZINC000576822903 365694962 /nfs/dbraw/zinc/69/49/62/365694962.db2.gz QBPODBVVIDTYTH-DTWKUNHWSA-N 2 0 236.319 1.192 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)[C@@]2(C)CCC[NH2+]2)c1 ZINC000576849433 365704079 /nfs/dbraw/zinc/70/40/79/365704079.db2.gz XZRBGVXYVOTMOB-CQSZACIVSA-N 2 0 247.342 1.487 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000223212348 187228570 /nfs/dbraw/zinc/22/85/70/187228570.db2.gz FYNNBBDYPQHRAH-RYUDHWBXSA-N 2 0 212.337 1.226 20 0 BDADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000575564121 343079731 /nfs/dbraw/zinc/07/97/31/343079731.db2.gz AESYNSJGQAAOOB-UONOGXRCSA-N 2 0 216.328 1.728 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@H]1C[NH+](C)C[C@@H]1C ZINC000336661620 187231096 /nfs/dbraw/zinc/23/10/96/187231096.db2.gz KCLCRAHUDNXKQB-STQMWFEESA-N 2 0 227.396 1.256 20 0 BDADRP [NH3+][C@@H]1CC=C(c2nc(C3([NH3+])CCCC3)no2)C1 ZINC000634555394 362044908 /nfs/dbraw/zinc/04/49/08/362044908.db2.gz JQFNXHDNWJUXPJ-SECBINFHSA-N 2 0 234.303 1.302 20 0 BDADRP CC1(C)CC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000168429722 136267982 /nfs/dbraw/zinc/26/79/82/136267982.db2.gz FNSYTNIXPWJYAG-CHWSQXEVSA-N 2 0 240.391 1.611 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000124630341 187232514 /nfs/dbraw/zinc/23/25/14/187232514.db2.gz UIPBSPNWBAOSOY-HZSPNIEDSA-N 2 0 242.407 1.904 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400337854 529689859 /nfs/dbraw/zinc/68/98/59/529689859.db2.gz GNCBGPRXOGLXKM-RWMBFGLXSA-N 2 0 227.396 1.447 20 0 BDADRP Fc1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000259000966 343128890 /nfs/dbraw/zinc/12/88/90/343128890.db2.gz MGXDYWJMMUAGKB-GFCCVEGCSA-N 2 0 222.307 1.915 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCCCn2ccnc2)C1 ZINC000093215682 343151310 /nfs/dbraw/zinc/15/13/10/343151310.db2.gz QPHJBRLOVFUCGT-CHWSQXEVSA-N 2 0 236.363 1.523 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[NH2+]C1(C)CCOCC1 ZINC000229907364 136273911 /nfs/dbraw/zinc/27/39/11/136273911.db2.gz IYJVOMYLFCBZQW-LLVKDONJSA-N 2 0 214.353 1.519 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH2+]CC2=CCCOC2)C1 ZINC000124709782 343163968 /nfs/dbraw/zinc/16/39/68/343163968.db2.gz OVLMGPJUPWOGPH-LBPRGKRZSA-N 2 0 224.348 1.265 20 0 BDADRP CC(C)n1ncnc1CN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000127128644 343172258 /nfs/dbraw/zinc/17/22/58/343172258.db2.gz XQQUZLCFNYQPLM-MNOVXSKESA-N 2 0 237.351 1.028 20 0 BDADRP CSC[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000127283287 343172373 /nfs/dbraw/zinc/17/23/73/343172373.db2.gz ASGIFFBKSUQOAI-LPEHRKFASA-N 2 0 202.367 1.597 20 0 BDADRP CCSCC[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000158732482 343201618 /nfs/dbraw/zinc/20/16/18/343201618.db2.gz NOXGUHBDLRKRQG-UWVGGRQHSA-N 2 0 202.367 1.551 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@H+](C[C@@H](C)COC)C1 ZINC000163535810 343206830 /nfs/dbraw/zinc/20/68/30/343206830.db2.gz VSUAQYXDVSQKOS-VXGBXAGGSA-N 2 0 214.353 1.200 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCO[C@H]2C)CC1 ZINC000134052793 343186697 /nfs/dbraw/zinc/18/66/97/343186697.db2.gz GPVNBOGEFHLFAJ-WCQYABFASA-N 2 0 226.364 1.485 20 0 BDADRP CCOC[C@H](C)[NH2+]CC1CC[NH+](CC)CC1 ZINC000133287705 343190267 /nfs/dbraw/zinc/19/02/67/343190267.db2.gz GOBUKODRVUKZLT-LBPRGKRZSA-N 2 0 228.380 1.733 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCS1 ZINC000087667985 136282133 /nfs/dbraw/zinc/28/21/33/136282133.db2.gz UOKXTECDFQDTFZ-DCAQKATOSA-N 2 0 214.378 1.599 20 0 BDADRP C[N@@H+]1CCC[C@@H]2CN(CC(C)(C)[NH3+])CC[C@H]21 ZINC000088091264 136284316 /nfs/dbraw/zinc/28/43/16/136284316.db2.gz QANFDHHARPRJOT-VXGBXAGGSA-N 2 0 225.380 1.140 20 0 BDADRP C[N@@H+]1CCC[C@H]2C[NH+](CCCCO)CC[C@@H]21 ZINC000088091300 136284439 /nfs/dbraw/zinc/28/44/39/136284439.db2.gz YEAFRILIHGCUDH-STQMWFEESA-N 2 0 226.364 1.175 20 0 BDADRP [NH3+]C[C@@H]1CCN(C[C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000634688118 343247653 /nfs/dbraw/zinc/24/76/53/343247653.db2.gz IORPSSKMVDTWGT-OLZOCXBDSA-N 2 0 245.370 1.549 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCCN(Cc2ccno2)C1 ZINC000069626880 343286700 /nfs/dbraw/zinc/28/67/00/343286700.db2.gz WXMGAQFTROTTRJ-UWVGGRQHSA-N 2 0 209.293 1.234 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000297572833 136291040 /nfs/dbraw/zinc/29/10/40/136291040.db2.gz RIMDPOLHUVULIJ-RISCZKNCSA-N 2 0 245.326 1.849 20 0 BDADRP CCC[C@H]([NH3+])C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000037019531 343331304 /nfs/dbraw/zinc/33/13/04/343331304.db2.gz NAXVCTBCMDSUAD-ZDUSSCGKSA-N 2 0 249.358 1.814 20 0 BDADRP CCC[C@H]([NH3+])C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000037042513 343331760 /nfs/dbraw/zinc/33/17/60/343331760.db2.gz KISDDWZTWDSEIN-ZDUSSCGKSA-N 2 0 249.358 1.814 20 0 BDADRP COc1cccc2c1C[C@@H]([NH2+]C1CC[NH2+]CC1)C2 ZINC000335612854 136295658 /nfs/dbraw/zinc/29/56/58/136295658.db2.gz JTCJDXMWFDVKAF-ZDUSSCGKSA-N 2 0 246.354 1.504 20 0 BDADRP Cc1n[nH]cc1C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000335613008 136295762 /nfs/dbraw/zinc/29/57/62/136295762.db2.gz QPXORSNGFYMYOC-JOYOIKCWSA-N 2 0 222.336 1.196 20 0 BDADRP Cc1c[nH]nc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335635195 136300779 /nfs/dbraw/zinc/30/07/79/136300779.db2.gz QXEHSDVTOTWGAU-OLZOCXBDSA-N 2 0 248.374 1.540 20 0 BDADRP CN1CCC([NH2+]Cc2ccc(O)cc2)CC1 ZINC000037248561 343340835 /nfs/dbraw/zinc/34/08/35/343340835.db2.gz UPFJRDUNDOPUHU-UHFFFAOYSA-N 2 0 220.316 1.576 20 0 BDADRP C(C[NH2+][C@H]1CCOC1)C[NH+]1CCCCC1 ZINC000070964589 343343561 /nfs/dbraw/zinc/34/35/61/343343561.db2.gz PYXOCFSRESZRBC-LBPRGKRZSA-N 2 0 212.337 1.241 20 0 BDADRP Cc1nc(C)c(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)s1 ZINC000166221415 136310446 /nfs/dbraw/zinc/31/04/46/136310446.db2.gz NCHNAJDICIPVKV-KCJUWKMLSA-N 2 0 239.388 1.929 20 0 BDADRP CCN(C)C[C@@H](O)C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000310239973 343399066 /nfs/dbraw/zinc/39/90/66/343399066.db2.gz ILDYMNICSUJSCU-HZSPNIEDSA-N 2 0 240.391 1.421 20 0 BDADRP CC(C)[C@@H](C(=O)N[C@H](C)CC[NH+](C)C)[NH+](C)C ZINC000349147377 136325670 /nfs/dbraw/zinc/32/56/70/136325670.db2.gz XMTPYTLGZOJBCW-NEPJUHHUSA-N 2 0 243.395 1.029 20 0 BDADRP Cn1ccnc1[C@H]1CC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000349153446 136327095 /nfs/dbraw/zinc/32/70/95/136327095.db2.gz SGRKJOWXVSUKMH-OLZOCXBDSA-N 2 0 249.358 1.636 20 0 BDADRP C[NH+]1CCC(CC[NH2+]C[C@H](O)C(C)(C)C)CC1 ZINC000310283384 343411650 /nfs/dbraw/zinc/41/16/50/343411650.db2.gz YPRMLXFFCZTVMD-ZDUSSCGKSA-N 2 0 242.407 1.715 20 0 BDADRP Cc1ccc(CCC[NH+]2CCC([NH3+])CC2)cn1 ZINC000339406368 178528154 /nfs/dbraw/zinc/52/81/54/178528154.db2.gz FNVNZWYGBGOAAQ-UHFFFAOYSA-N 2 0 233.359 1.746 20 0 BDADRP C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)[C@@H]1CCOC1 ZINC000166319735 136344765 /nfs/dbraw/zinc/34/47/65/136344765.db2.gz RRQMOPBGBKSHET-SMDDNHRTSA-N 2 0 246.354 1.804 20 0 BDADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cc[nH]n3)C2)CC1 ZINC000335724489 136346779 /nfs/dbraw/zinc/34/67/79/136346779.db2.gz YTNDTZUEBFLCDA-CYBMUJFWSA-N 2 0 248.374 1.573 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2O)CC1 ZINC000042237402 343432131 /nfs/dbraw/zinc/43/21/31/343432131.db2.gz JVHJSHRWYPBGTE-KGLIPLIRSA-N 2 0 240.391 1.754 20 0 BDADRP CC[NH+](CC)CCOCC[NH2+]Cc1ccco1 ZINC000350270701 136357454 /nfs/dbraw/zinc/35/74/54/136357454.db2.gz UCHVVVJCKWPNMR-UHFFFAOYSA-N 2 0 240.347 1.728 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](O)CC1 ZINC000335888800 136358476 /nfs/dbraw/zinc/35/84/76/136358476.db2.gz XVRYKUDFYAFNHO-QWHCGFSZSA-N 2 0 226.364 1.318 20 0 BDADRP CC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247982692 136373301 /nfs/dbraw/zinc/37/33/01/136373301.db2.gz NETAXUXTSYKSQU-AGIUHOORSA-N 2 0 226.364 1.173 20 0 BDADRP COC[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247983239 136373610 /nfs/dbraw/zinc/37/36/10/136373610.db2.gz IPELLCJSXGBUQM-RWMBFGLXSA-N 2 0 226.364 1.437 20 0 BDADRP CCc1ccc(C[N@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000258966431 136374342 /nfs/dbraw/zinc/37/43/42/136374342.db2.gz LFNZBASRAAHTHW-ZDUSSCGKSA-N 2 0 222.332 1.000 20 0 BDADRP C[NH+](C)CCCC[NH2+]C[C@H]1CCCOC1 ZINC000084718525 343536069 /nfs/dbraw/zinc/53/60/69/343536069.db2.gz GYCDNBONOFVLMX-GFCCVEGCSA-N 2 0 214.353 1.344 20 0 BDADRP C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)C1CCC1 ZINC000398746081 488223691 /nfs/dbraw/zinc/22/36/91/488223691.db2.gz YSLQEQQKIVJKRA-CHWSQXEVSA-N 2 0 208.349 1.860 20 0 BDADRP Cc1nc(CC[N@@H+]2CCc3nc[nH]c3C2)cs1 ZINC000625436921 343734521 /nfs/dbraw/zinc/73/45/21/343734521.db2.gz NNWCACHOTUOCNC-UHFFFAOYSA-N 2 0 248.355 1.775 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621666692 343712501 /nfs/dbraw/zinc/71/25/01/343712501.db2.gz RFSGTLPMFVFMSD-SDDRHHMPSA-N 2 0 241.379 1.008 20 0 BDADRP CN1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000054243464 187272181 /nfs/dbraw/zinc/27/21/81/187272181.db2.gz PEZXABHZEQGMEF-QWHCGFSZSA-N 2 0 225.380 1.012 20 0 BDADRP C[C@]1(C[NH3+])CCN(Cc2ncc(C3CC3)o2)C1 ZINC000584113963 343759505 /nfs/dbraw/zinc/75/95/05/343759505.db2.gz UAEZPJNXAMAFIX-CYBMUJFWSA-N 2 0 235.331 1.723 20 0 BDADRP C(C1CC[NH2+]CC1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000062940915 187273675 /nfs/dbraw/zinc/27/36/75/187273675.db2.gz LDHWXALBGGOKGA-AWEZNQCLSA-N 2 0 237.391 1.156 20 0 BDADRP C[N@H+](CCCn1ccnc1)Cc1cnc[nH]1 ZINC000189588243 346981494 /nfs/dbraw/zinc/98/14/94/346981494.db2.gz NNVGRTXYMSVRDI-UHFFFAOYSA-N 2 0 219.292 1.128 20 0 BDADRP Cc1ncncc1[C@@H](C)[NH2+]CCCC[NH+](C)C ZINC000582132522 346992703 /nfs/dbraw/zinc/99/27/03/346992703.db2.gz PCPUZOVBYHLAOF-LLVKDONJSA-N 2 0 236.363 1.777 20 0 BDADRP CCSCC[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000405468462 343881870 /nfs/dbraw/zinc/88/18/70/343881870.db2.gz KJGBJRLTEOWGKZ-BDAKNGLRSA-N 2 0 202.367 1.455 20 0 BDADRP CC(C)[NH2+]C1(CO)CC[NH+](C[C@H]2C[C@H]2C)CC1 ZINC000625454027 343861259 /nfs/dbraw/zinc/86/12/59/343861259.db2.gz ZWOXEXSLHLKFGE-CHWSQXEVSA-N 2 0 240.391 1.467 20 0 BDADRP CCn1nccc1CC[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000621775787 343899972 /nfs/dbraw/zinc/89/99/72/343899972.db2.gz YSGRZKVTHYDAPF-ZDUSSCGKSA-N 2 0 236.363 1.116 20 0 BDADRP CC(C)[NH+]1CCC(N(C)C(=O)C(C)(C)[NH3+])CC1 ZINC000040935485 187355290 /nfs/dbraw/zinc/35/52/90/187355290.db2.gz ITZYTUPAEQAPNX-UHFFFAOYSA-N 2 0 241.379 1.055 20 0 BDADRP CC[N@H+](C)C[C@@H](O)CN(C)Cc1cccs1 ZINC000393791307 343928731 /nfs/dbraw/zinc/92/87/31/343928731.db2.gz MEIILDNCHAOKKK-LLVKDONJSA-N 2 0 242.388 1.493 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2ccncc2)C1 ZINC000634732627 344108102 /nfs/dbraw/zinc/10/81/02/344108102.db2.gz KQOOFVJDUFGEHP-ZDUSSCGKSA-N 2 0 233.359 1.949 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H](NCC23CC(C2)C[NH2+]3)C1 ZINC000634733509 344113261 /nfs/dbraw/zinc/11/32/61/344113261.db2.gz HDYMOLIEVHSRKW-MBHSVXNSSA-N 2 0 237.391 1.106 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)CC[NH2+]1 ZINC000634733434 344113273 /nfs/dbraw/zinc/11/32/73/344113273.db2.gz FRKNAIIMWKJQFY-SYQHCUMBSA-N 3 0 237.391 1.106 20 0 BDADRP C([NH2+][C@]12CCC[C@@H]1C[NH2+]C2)[C@@H]1CCSC1 ZINC000634733554 344114083 /nfs/dbraw/zinc/11/40/83/344114083.db2.gz IGSXZBCIRXOQHJ-TUAOUCFPSA-N 2 0 226.389 1.471 20 0 BDADRP CC[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000130412954 344137144 /nfs/dbraw/zinc/13/71/44/344137144.db2.gz WYPGTBICXHUAKW-CYBMUJFWSA-N 2 0 249.358 1.319 20 0 BDADRP CCSCC[NH2+]CCCC[NH+](C)C ZINC000128934246 344209426 /nfs/dbraw/zinc/20/94/26/344209426.db2.gz CVFVBWYWIYSPSI-UHFFFAOYSA-N 2 0 204.383 1.671 20 0 BDADRP [NH3+][C@H]1CCC[C@@H](NCc2nccs2)C1 ZINC000086403517 344217022 /nfs/dbraw/zinc/21/70/22/344217022.db2.gz POJINFDUBJXEJX-DTWKUNHWSA-N 2 0 211.334 1.503 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC[C@@H]1CC1(F)F ZINC000622043990 344227923 /nfs/dbraw/zinc/22/79/23/344227923.db2.gz RBJSWACWBAWGCF-VLEAKVRGSA-N 2 0 248.317 1.374 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000131888034 344237573 /nfs/dbraw/zinc/23/75/73/344237573.db2.gz UOZKGEMYXMWWFF-GHMZBOCLSA-N 2 0 216.369 1.587 20 0 BDADRP C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000306572186 344278572 /nfs/dbraw/zinc/27/85/72/344278572.db2.gz HOKXRASAFOIQSB-RCWTZXSCSA-N 2 0 214.378 1.597 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000133010064 344310660 /nfs/dbraw/zinc/31/06/60/344310660.db2.gz QUIFCHSLQQNYSH-GARJFASQSA-N 2 0 202.342 1.340 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000093214504 344312603 /nfs/dbraw/zinc/31/26/03/344312603.db2.gz GKOMTNLHHXOVDM-XQQFMLRXSA-N 2 0 237.391 1.330 20 0 BDADRP CN(CCC[NH3+])CC[C@H]1CCCC[N@@H+]1C ZINC000133203780 344314800 /nfs/dbraw/zinc/31/48/00/344314800.db2.gz RLIPGTAKBATFJH-GFCCVEGCSA-N 2 0 213.369 1.141 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@@H]2COC[C@@H]2C1 ZINC000634782640 344325589 /nfs/dbraw/zinc/32/55/89/344325589.db2.gz VLDKNVAYTMBMRQ-HZSPNIEDSA-N 2 0 238.375 1.439 20 0 BDADRP Cc1cc(N(C)[C@H](C[NH3+])C2CC2)nc(C2CC2)n1 ZINC000634811819 344396556 /nfs/dbraw/zinc/39/65/56/344396556.db2.gz RNQUIIMGYCZYHM-GFCCVEGCSA-N 2 0 246.358 1.836 20 0 BDADRP C[N@H+](C[C@H]1CCCO1)CC1CC[NH2+]CC1 ZINC000042466481 344456152 /nfs/dbraw/zinc/45/61/52/344456152.db2.gz VKJXJUPPCHARFR-GFCCVEGCSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@H](c1cnccn1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000573846362 344533568 /nfs/dbraw/zinc/53/35/68/344533568.db2.gz CSADDJWZJIJODE-TZMCWYRMSA-N 2 0 246.358 1.613 20 0 BDADRP C[C@@H](c1cnccn1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000573846351 344533585 /nfs/dbraw/zinc/53/35/85/344533585.db2.gz CSADDJWZJIJODE-GXTWGEPZSA-N 2 0 246.358 1.613 20 0 BDADRP C([NH2+][C@@H]1CCC[NH2+]CC1)[C@@H]1CCCS1 ZINC000160692904 187359466 /nfs/dbraw/zinc/35/94/66/187359466.db2.gz DAJVAQUDHXIMGQ-MNOVXSKESA-N 2 0 214.378 1.614 20 0 BDADRP Cc1cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)no1 ZINC000158664418 344712718 /nfs/dbraw/zinc/71/27/18/344712718.db2.gz MARDXCAHCNTGLO-TZMCWYRMSA-N 2 0 249.358 1.899 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000583357555 344762981 /nfs/dbraw/zinc/76/29/81/344762981.db2.gz YSJSPQNRRKPCJB-ZIAGYGMSSA-N 2 0 239.407 1.260 20 0 BDADRP CC[NH+](CC)CCCN1CCC([NH3+])CC1 ZINC000075136372 344767960 /nfs/dbraw/zinc/76/79/60/344767960.db2.gz ZDJQAKVDZGNWAI-UHFFFAOYSA-N 2 0 213.369 1.141 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](C[C@H]2CCCC[C@@H]2O)C1 ZINC000382030633 347072630 /nfs/dbraw/zinc/07/26/30/347072630.db2.gz DGEJQYLXLBRLEN-FRRDWIJNSA-N 2 0 226.364 1.208 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@H](C)[C@H]2CCOC2)CC1 ZINC000119750747 187292671 /nfs/dbraw/zinc/29/26/71/187292671.db2.gz VMMBPAFPZSAFEO-OLZOCXBDSA-N 2 0 240.391 1.874 20 0 BDADRP Cc1c(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cnn1C ZINC000227566327 187297135 /nfs/dbraw/zinc/29/71/35/187297135.db2.gz CIZQNIOTOKCUPD-JQWIXIFHSA-N 2 0 236.363 1.288 20 0 BDADRP CC[NH+]1CCC(C[NH2+]C[C@@H]2C[C@@H]2C)CC1 ZINC000309034385 323081771 /nfs/dbraw/zinc/08/17/71/323081771.db2.gz HFFFAXCMPFJGPT-AAEUAGOBSA-N 2 0 210.365 1.964 20 0 BDADRP Cc1nn(C)cc1CN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000227852399 187297921 /nfs/dbraw/zinc/29/79/21/187297921.db2.gz UWQPLXPDAOHJKG-GXFFZTMASA-N 2 0 236.363 1.301 20 0 BDADRP C[C@H]1C[C@H](N(C)CC23CC(C2)C[NH2+]3)CC[N@@H+]1C ZINC000634993557 345190596 /nfs/dbraw/zinc/19/05/96/345190596.db2.gz XZWFECVFEIZUIR-RJZJGCCBSA-N 2 0 237.391 1.153 20 0 BDADRP CC[N@@H+]1CCCC[C@H]1CNCC12CC(C1)C[NH2+]2 ZINC000634995910 345185982 /nfs/dbraw/zinc/18/59/82/345185982.db2.gz SMXHQABHEQIPQC-MOKVOYLWSA-N 2 0 237.391 1.202 20 0 BDADRP CC(C)[C@@H](C[NH3+])C[NH+]1CCC(CC[NH3+])CC1 ZINC000634996900 345186420 /nfs/dbraw/zinc/18/64/20/345186420.db2.gz YJCQUGKOJLZSJZ-ZDUSSCGKSA-N 3 0 227.396 1.278 20 0 BDADRP C[C@@H]1CC[C@@H](C)N(CC23CC(C2)C[NH2+]3)C1 ZINC000634992848 345188012 /nfs/dbraw/zinc/18/80/12/345188012.db2.gz DBLJXXYGANTFBT-OKZRHMCRSA-N 2 0 208.349 1.859 20 0 BDADRP CC[N@H+](C)C[C@@H]1CCN(CC23CC(C2)C[NH2+]3)C1 ZINC000634993062 345188554 /nfs/dbraw/zinc/18/85/54/345188554.db2.gz KKWNVYIQPDYWNS-HSBZDZAISA-N 2 0 237.391 1.012 20 0 BDADRP C[C@H]([NH2+]CCN1CCCC[C@@H]1C)[C@@H]1CCOC1 ZINC000156607109 345191170 /nfs/dbraw/zinc/19/11/70/345191170.db2.gz XWLTXDJALJXINX-MELADBBJSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@]1(C[NH3+])CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000235438910 537891649 /nfs/dbraw/zinc/89/16/49/537891649.db2.gz DIROSGDUAWTKKK-RYUDHWBXSA-N 2 0 212.337 1.226 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000227062748 345246279 /nfs/dbraw/zinc/24/62/79/345246279.db2.gz SKEVRIHLDJNTOL-MELADBBJSA-N 2 0 246.354 1.707 20 0 BDADRP CC(C)[C@H](C[NH3+])CN1CC[NH2+][C@@H](C(C)C)C1 ZINC000634994065 345192875 /nfs/dbraw/zinc/19/28/75/345192875.db2.gz PLMQWOFRIIZKPF-CHWSQXEVSA-N 2 0 227.396 1.147 20 0 BDADRP Cc1ccc(O)c(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000634999596 345199888 /nfs/dbraw/zinc/19/98/88/345199888.db2.gz WUOATAXGOYUMJZ-MWLCHTKSSA-N 2 0 235.331 1.122 20 0 BDADRP CC(C)(C)CC[NH+]1CCC([NH2+]CCO)CC1 ZINC000635001466 345201139 /nfs/dbraw/zinc/20/11/39/345201139.db2.gz TWOFOTANSIXIPQ-UHFFFAOYSA-N 2 0 228.380 1.469 20 0 BDADRP [NH3+]C[C@H]1CC[C@H]([NH2+]C2CCOCC2)CC1 ZINC000635007203 345202573 /nfs/dbraw/zinc/20/25/73/345202573.db2.gz OPOSMVDSHLXQPP-XYPYZODXSA-N 2 0 212.337 1.273 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000635002887 345205845 /nfs/dbraw/zinc/20/58/45/345205845.db2.gz AWJGELCOKZGMDA-AGIUHOORSA-N 2 0 228.380 1.658 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000635003377 345206359 /nfs/dbraw/zinc/20/63/59/345206359.db2.gz CROROOFVICBHIY-DUPPUEJBSA-N 3 0 239.407 1.611 20 0 BDADRP C[C@H]1COCC[C@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635004735 345208694 /nfs/dbraw/zinc/20/86/94/345208694.db2.gz KEIWBVIYDMTNKN-ZDEQEGDKSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]CC[C@H]2C)[C@@H](C)O1 ZINC000635005436 345209099 /nfs/dbraw/zinc/20/90/99/345209099.db2.gz NNDNKKMNURGBQU-VEGXAWMVSA-N 2 0 226.364 1.530 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)[C@H]1CCCOC1 ZINC000635005379 345209206 /nfs/dbraw/zinc/20/92/06/345209206.db2.gz MRHVPRYWTLEVHJ-XUXIUFHCSA-N 2 0 240.391 1.909 20 0 BDADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000635005132 345209276 /nfs/dbraw/zinc/20/92/76/345209276.db2.gz MQFXEZDLUYYVIN-XUXIUFHCSA-N 3 0 239.407 1.754 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635007098 345211255 /nfs/dbraw/zinc/21/12/55/345211255.db2.gz ABHBAEYTAPHYHD-UTUOFQBUSA-N 2 0 228.380 1.778 20 0 BDADRP CC1(C)C[NH2+]CC[C@H](N[C@H]2CCC[C@@H]2[NH3+])C1 ZINC000635006855 345211406 /nfs/dbraw/zinc/21/14/06/345211406.db2.gz ODHLFUJAXVSAPB-SRVKXCTJSA-N 2 0 225.380 1.234 20 0 BDADRP FC(F)(F)[C@@H]1C[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000635011796 345213398 /nfs/dbraw/zinc/21/33/98/345213398.db2.gz HZESNLNILTWMFC-FBDQPXRJSA-N 2 0 248.292 1.915 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000635012390 345214701 /nfs/dbraw/zinc/21/47/01/345214701.db2.gz MFNDZSVKSLWZRV-DOLQZWNJSA-N 2 0 236.281 1.915 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000449078565 201804330 /nfs/dbraw/zinc/80/43/30/201804330.db2.gz VNDIFQZYIJEKDW-IJLUTSLNSA-N 2 0 241.379 1.103 20 0 BDADRP CCCC[C@@H]([NH3+])C(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000228451267 345341720 /nfs/dbraw/zinc/34/17/20/345341720.db2.gz ZGAXGIOKAZGFNJ-NWDGAFQWSA-N 2 0 243.395 1.350 20 0 BDADRP CCSCC[NH+]1CCC(OCCC[NH3+])CC1 ZINC000158584990 345351882 /nfs/dbraw/zinc/35/18/82/345351882.db2.gz QYKQNTSVEQTYPR-UHFFFAOYSA-N 2 0 246.420 1.569 20 0 BDADRP CC[C@@H](c1ccccc1)N1CCO[C@@H](C[NH3+])C1 ZINC000228973317 345424664 /nfs/dbraw/zinc/42/46/64/345424664.db2.gz KCCFSLJZXIOGFG-KBPBESRZSA-N 2 0 234.343 1.797 20 0 BDADRP COCCCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000158966457 345392917 /nfs/dbraw/zinc/39/29/17/345392917.db2.gz HZDYTZCEUBXQIZ-KBPBESRZSA-N 2 0 240.391 1.829 20 0 BDADRP CC(C)C[C@@H](C)[NH2+]C[C@]1(O)CCN(C)C1 ZINC000308895349 187306817 /nfs/dbraw/zinc/30/68/17/187306817.db2.gz ZDVMPJJSKLUHLC-VXGBXAGGSA-N 2 0 214.353 1.077 20 0 BDADRP CCOCCC[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000221676216 323090991 /nfs/dbraw/zinc/09/09/91/323090991.db2.gz FUCIQGHWWGRXRT-STQMWFEESA-N 2 0 228.380 1.733 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCCOCC1 ZINC000221038009 535003201 /nfs/dbraw/zinc/00/32/01/535003201.db2.gz WWVGIGXMUGCIPW-CYBMUJFWSA-N 2 0 228.380 1.875 20 0 BDADRP CC(C)([NH3+])C[NH2+]CCOCc1ccccc1 ZINC000164762029 345738851 /nfs/dbraw/zinc/73/88/51/345738851.db2.gz PCDJSSMAWKZLQN-UHFFFAOYSA-N 2 0 222.332 1.530 20 0 BDADRP CCOC(=O)CCCCN1CCC[NH2+]CC1 ZINC000147486902 345710922 /nfs/dbraw/zinc/71/09/22/345710922.db2.gz RSBBGGFKAASOHB-UHFFFAOYSA-N 2 0 228.336 1.015 20 0 BDADRP C[C@@H](NC(=O)[C@@H](C)[NH+](C)C)C(C)(C)C[NH+](C)C ZINC000635607342 345890806 /nfs/dbraw/zinc/89/08/06/345890806.db2.gz ZOQSGYRYENPBIR-GHMZBOCLSA-N 2 0 243.395 1.029 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000309610779 187310314 /nfs/dbraw/zinc/31/03/14/187310314.db2.gz MQHKJXGXACTOGV-AGIUHOORSA-N 2 0 228.380 1.323 20 0 BDADRP CC(C)[C@H](C[NH2+][C@@H](C)CCC[NH3+])N1CCCC1 ZINC000310349925 187312591 /nfs/dbraw/zinc/31/25/91/187312591.db2.gz GVZMQFJWDZTELR-KBPBESRZSA-N 2 0 241.423 1.824 20 0 BDADRP CCOCC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063200537 187362049 /nfs/dbraw/zinc/36/20/49/187362049.db2.gz OLGPJGZZVMDSAZ-ZDUSSCGKSA-N 2 0 226.364 1.487 20 0 BDADRP CC1(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000380306250 346024413 /nfs/dbraw/zinc/02/44/13/346024413.db2.gz FQYMYRFWFVXBNJ-NSHDSACASA-N 2 0 208.349 1.860 20 0 BDADRP COC[C@H](C)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000163540900 323103627 /nfs/dbraw/zinc/10/36/27/323103627.db2.gz GDFAZGAUGUMLHW-VXGBXAGGSA-N 2 0 214.353 1.472 20 0 BDADRP CS[C@H](C)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401115610 346212295 /nfs/dbraw/zinc/21/22/95/346212295.db2.gz HYVXSCJSZUKNHX-NOOOWODRSA-N 2 0 228.405 1.716 20 0 BDADRP C[C@@H]1C[C@@H](NC(=O)c2ccc(C[NH3+])cc2)CC[NH2+]1 ZINC000336318472 187367304 /nfs/dbraw/zinc/36/73/04/187367304.db2.gz BGBMMGGDMGTWKW-MFKMUULPSA-N 2 0 247.342 1.016 20 0 BDADRP Cc1cccc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)c1 ZINC000313396571 179074952 /nfs/dbraw/zinc/07/49/52/179074952.db2.gz QDKZWZKLDPLVQZ-CQSZACIVSA-N 2 0 234.343 1.545 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](CCc2cncn2C)CC1 ZINC000641795938 362736644 /nfs/dbraw/zinc/73/66/44/362736644.db2.gz BPFVCISHHSGMMP-NSHDSACASA-N 2 0 236.363 1.022 20 0 BDADRP C[C@H]1CC2(C[N@@H+]1CCc1cn[nH]c1)CC[NH2+]CC2 ZINC000641799742 362749678 /nfs/dbraw/zinc/74/96/78/362749678.db2.gz QRTOODRSKRTBKL-LBPRGKRZSA-N 2 0 248.374 1.416 20 0 BDADRP COc1cc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)on1 ZINC000641800019 362748708 /nfs/dbraw/zinc/74/87/08/362748708.db2.gz VWPYIVAKWHKQCD-SNVBAGLBSA-N 2 0 239.319 1.244 20 0 BDADRP CC1(C)[C@H]([NH2+]CCCC2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC000641802005 362757850 /nfs/dbraw/zinc/75/78/50/362757850.db2.gz XNWSHNRESAULLC-QWHCGFSZSA-N 3 0 239.407 1.482 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCCCCF ZINC000641802436 362760485 /nfs/dbraw/zinc/76/04/85/362760485.db2.gz KWJXUWOVOIVOCF-NXEZZACHSA-N 2 0 202.317 1.842 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCCC[C@H]2O)CC1 ZINC000577124609 365827193 /nfs/dbraw/zinc/82/71/93/365827193.db2.gz GOVOETLLASZWFT-NWINJMCUSA-N 2 0 240.391 1.752 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000580646091 365841528 /nfs/dbraw/zinc/84/15/28/365841528.db2.gz DBBNJHJGGJACNY-QYNFOATHSA-N 3 0 213.369 1.219 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000580646089 365841972 /nfs/dbraw/zinc/84/19/72/365841972.db2.gz DBBNJHJGGJACNY-JYBOHDQNSA-N 3 0 213.369 1.219 20 0 BDADRP CC[C@H]1CCCCC[N@@H+]1C[C@H](O)CN(C)CC ZINC000380087975 365870531 /nfs/dbraw/zinc/87/05/31/365870531.db2.gz UETPJJKNFDXQNF-UONOGXRCSA-N 2 0 242.407 1.954 20 0 BDADRP COC(=O)CCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601334122 347226535 /nfs/dbraw/zinc/22/65/35/347226535.db2.gz IRQAYZHJKYWRBA-NEPJUHHUSA-N 2 0 240.347 1.014 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCCO[C@H]2CCOC2)C1 ZINC000581499795 347338925 /nfs/dbraw/zinc/33/89/25/347338925.db2.gz SGWDEAUVURLXSN-UPJWGTAASA-N 2 0 242.363 1.042 20 0 BDADRP CCOCCCC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000388357848 347354579 /nfs/dbraw/zinc/35/45/79/347354579.db2.gz JWKSNYBVSCBHRQ-RYUDHWBXSA-N 2 0 214.353 1.520 20 0 BDADRP CCOCCCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000388382077 347375471 /nfs/dbraw/zinc/37/54/71/347375471.db2.gz RQMPSXVDXBJIFX-STQMWFEESA-N 2 0 228.380 1.910 20 0 BDADRP C[NH2+]CC1CC[NH+](C[C@H]2CC[C@H](C)O2)CC1 ZINC000149755068 347510043 /nfs/dbraw/zinc/51/00/43/347510043.db2.gz FYDHYOZEIXARIG-WCQYABFASA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](C[C@H]2CC[C@@H](C)O2)C1 ZINC000149765681 347514081 /nfs/dbraw/zinc/51/40/81/347514081.db2.gz UXPSDSKJQIYQHK-FVCCEPFGSA-N 2 0 226.364 1.613 20 0 BDADRP CC(C)OC1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000577270720 365910669 /nfs/dbraw/zinc/91/06/69/365910669.db2.gz HVXLILVENYEDQK-ZDUSSCGKSA-N 2 0 240.391 1.875 20 0 BDADRP O[C@H](C[NH2+]CC1CC(F)(F)C1)C[NH+]1CCCC1 ZINC000383247061 348049623 /nfs/dbraw/zinc/04/96/23/348049623.db2.gz JQYDUQXXYBSTBS-LLVKDONJSA-N 2 0 248.317 1.078 20 0 BDADRP Cc1cccnc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000070909072 179377265 /nfs/dbraw/zinc/37/72/65/179377265.db2.gz QDJBRVYENJVBHK-LLVKDONJSA-N 2 0 205.305 1.171 20 0 BDADRP Cc1cccnc1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000161862075 179377848 /nfs/dbraw/zinc/37/78/48/179377848.db2.gz YGSOIUFDHDWJGW-RYUDHWBXSA-N 2 0 219.332 1.559 20 0 BDADRP COC[C@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)OC ZINC000623488012 362911435 /nfs/dbraw/zinc/91/14/35/362911435.db2.gz DRSOOGCEJVNYBN-RYUDHWBXSA-N 2 0 244.379 1.110 20 0 BDADRP Cc1cc(C[NH2+]CCOCC[NH+](C)C)ccn1 ZINC000623494534 362919038 /nfs/dbraw/zinc/91/90/38/362919038.db2.gz TVLZIJPHXYBJPH-UHFFFAOYSA-N 2 0 237.347 1.058 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CCC(C)(C)O)CC1(C)C ZINC000623496380 362920273 /nfs/dbraw/zinc/92/02/73/362920273.db2.gz SPNNRWNLMWSRAO-NSHDSACASA-N 2 0 228.380 1.610 20 0 BDADRP CCOC(=O)CCCC[N@H+](C)CC(C)(C)[NH3+] ZINC000595900267 348394335 /nfs/dbraw/zinc/39/43/35/348394335.db2.gz XQMPOSNNTCZRJJ-UHFFFAOYSA-N 2 0 230.352 1.389 20 0 BDADRP CSCC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595906270 348397193 /nfs/dbraw/zinc/39/71/93/348397193.db2.gz IOTZLRPNBNQHNN-GFCCVEGCSA-N 2 0 246.420 1.392 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)O1 ZINC000251798518 362922571 /nfs/dbraw/zinc/92/25/71/362922571.db2.gz LVMUFSPIZVWESH-WISYIIOYSA-N 2 0 212.337 1.366 20 0 BDADRP CCSC1(C[NH2+][C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000596650065 348605129 /nfs/dbraw/zinc/60/51/29/348605129.db2.gz FREXRGDBFVYQQB-UWVGGRQHSA-N 2 0 216.394 1.988 20 0 BDADRP CCSC1(C[NH2+][C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000596650439 348606308 /nfs/dbraw/zinc/60/63/08/348606308.db2.gz ISAFRGDSWCCUFN-UWVGGRQHSA-N 2 0 214.378 1.742 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H]2CO[C@H](C)C2)CC1 ZINC000401891837 348607632 /nfs/dbraw/zinc/60/76/32/348607632.db2.gz ONNOFHFXSGYRPT-DGCLKSJQSA-N 2 0 226.364 1.628 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H]2CO[C@@H](C)C2)CC1 ZINC000401891835 348608069 /nfs/dbraw/zinc/60/80/69/348608069.db2.gz ONNOFHFXSGYRPT-AAEUAGOBSA-N 2 0 226.364 1.628 20 0 BDADRP C[C@@H]1CSC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000308799832 348642722 /nfs/dbraw/zinc/64/27/22/348642722.db2.gz ADKTYLHLXNUKQC-UTUOFQBUSA-N 2 0 228.405 1.669 20 0 BDADRP CCC[N@H+](CC)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000669383809 538013324 /nfs/dbraw/zinc/01/33/24/538013324.db2.gz YKPMPYOSZQSSML-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1CCN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000250648930 538022574 /nfs/dbraw/zinc/02/25/74/538022574.db2.gz WEHLWPKLUSTSML-MGPQQGTHSA-N 2 0 237.391 1.012 20 0 BDADRP CC(C)[C@H](C(=O)N[C@H](C)CC[NH+](C)C)[C@H](C)[NH3+] ZINC000399419832 323206056 /nfs/dbraw/zinc/20/60/56/323206056.db2.gz FBXOHHAEMRCMTF-WOPDTQHZSA-N 2 0 243.395 1.062 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC[C@H]2O)C1 ZINC000250999037 349180960 /nfs/dbraw/zinc/18/09/60/349180960.db2.gz DHBJHRDCXHSDCT-QNWHQSFQSA-N 2 0 226.364 1.397 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000250363047 349169445 /nfs/dbraw/zinc/16/94/45/349169445.db2.gz UHNURHIVYYERQM-FRRDWIJNSA-N 3 0 225.380 1.330 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCSC2)C1 ZINC000250521233 349174944 /nfs/dbraw/zinc/17/49/44/349174944.db2.gz STRXLTKSFOSKMO-RYUDHWBXSA-N 2 0 228.405 1.812 20 0 BDADRP C[N@@H+]1CCC[C@H](CN[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000250559948 349175140 /nfs/dbraw/zinc/17/51/40/349175140.db2.gz CESWUKKBVMLPFO-AGIUHOORSA-N 2 0 225.380 1.188 20 0 BDADRP COC[C@H](C)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000253119075 349224300 /nfs/dbraw/zinc/22/43/00/349224300.db2.gz LCXXFTUKXPZAJV-VOAKCMCISA-N 2 0 226.364 1.328 20 0 BDADRP CCC[C@H](O)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000253019855 349226367 /nfs/dbraw/zinc/22/63/67/349226367.db2.gz JJQKOKQOVPDDHL-AXFHLTTASA-N 2 0 200.326 1.007 20 0 BDADRP CC[C@H](COC)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000070658050 490232397 /nfs/dbraw/zinc/23/23/97/490232397.db2.gz VIAWHEIWCZACRD-WCQYABFASA-N 2 0 228.380 1.731 20 0 BDADRP C[C@@H]([NH2+]CC1(C)COC1)[C@H]1CCCC[NH2+]1 ZINC000395239139 323222749 /nfs/dbraw/zinc/22/27/49/323222749.db2.gz QCJCGVABAUUNQB-GHMZBOCLSA-N 2 0 212.337 1.143 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623528396 362947400 /nfs/dbraw/zinc/94/74/00/362947400.db2.gz KLBUXXFZUJCILP-IJLUTSLNSA-N 2 0 228.380 1.872 20 0 BDADRP C[NH2+]CC1CC[NH+]([C@H](C)c2cnccn2)CC1 ZINC000070480033 350014859 /nfs/dbraw/zinc/01/48/59/350014859.db2.gz MODJPOWHEBQLOP-LLVKDONJSA-N 2 0 234.347 1.469 20 0 BDADRP CC[NH+](CC)CCSCC[NH+](C)C ZINC000131201966 191011779 /nfs/dbraw/zinc/01/17/79/191011779.db2.gz BRBODWMLFKOISS-UHFFFAOYSA-N 2 0 204.383 1.623 20 0 BDADRP CCOCCC[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000131579081 191015699 /nfs/dbraw/zinc/01/56/99/191015699.db2.gz OVVNDRFXTBBZEW-NEPJUHHUSA-N 2 0 226.364 1.628 20 0 BDADRP CCCC[N@H+](C)CCN[C@H]1CCC[C@H]1C[NH3+] ZINC000422708934 192438067 /nfs/dbraw/zinc/43/80/67/192438067.db2.gz JVXFOPUSMXIDOH-STQMWFEESA-N 2 0 227.396 1.435 20 0 BDADRP CC[C@H]([NH2+]CC(C)(C)C[NH+](C)C)[C@@H]1CCOC1 ZINC000132161059 191026408 /nfs/dbraw/zinc/02/64/08/191026408.db2.gz VRVFJPNNSJEBIZ-OLZOCXBDSA-N 2 0 242.407 1.979 20 0 BDADRP C[NH+](C)C[C@H]1CCN(CC[NH+]2CCCCC2)C1 ZINC000132355844 191030853 /nfs/dbraw/zinc/03/08/53/191030853.db2.gz WPDOMOOYJQJYOX-CQSZACIVSA-N 2 0 239.407 1.356 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH2+]C(CC)(CC)CC ZINC000309199260 350167877 /nfs/dbraw/zinc/16/78/77/350167877.db2.gz BDEZUFMQTRZZPD-LBPRGKRZSA-N 2 0 230.396 1.857 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCCSC1 ZINC000384131484 350218160 /nfs/dbraw/zinc/21/81/60/350218160.db2.gz LIRLUJLYJUQWCN-RYUDHWBXSA-N 2 0 246.420 1.473 20 0 BDADRP [NH3+]C1CCC([NH2+][C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000335137693 133797400 /nfs/dbraw/zinc/79/74/00/133797400.db2.gz NIBXWQGXWYJRRC-TYUFSLCMSA-N 3 0 225.380 1.506 20 0 BDADRP CC[C@@H]1C[C@H](C)C[N@@H+]1C[C@H](O)CN(C)CC ZINC000309305996 350274447 /nfs/dbraw/zinc/27/44/47/350274447.db2.gz ZRFAOMHQWGBULA-YNEHKIRRSA-N 2 0 228.380 1.419 20 0 BDADRP CC[NH+]1CCC(N[C@H]2CCCC[NH2+]C2)CC1 ZINC000335270608 350339410 /nfs/dbraw/zinc/33/94/10/350339410.db2.gz OUJZZGMWIYOLMS-ZDUSSCGKSA-N 2 0 225.380 1.202 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000565156161 323324527 /nfs/dbraw/zinc/32/45/27/323324527.db2.gz HMNCKOPSASUIBX-RWMBFGLXSA-N 2 0 242.407 1.713 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2COc3ccccc3C2)C1 ZINC000328144064 350376607 /nfs/dbraw/zinc/37/66/07/350376607.db2.gz RCVBJMBTLVVSTK-MCIONIFRSA-N 2 0 246.354 1.850 20 0 BDADRP Cc1ncsc1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000168494761 180318127 /nfs/dbraw/zinc/31/81/27/180318127.db2.gz KSSYCOBDPXIZHD-SCZZXKLOSA-N 2 0 225.361 1.621 20 0 BDADRP Cc1ncsc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000070836803 180319682 /nfs/dbraw/zinc/31/96/82/180319682.db2.gz WNCXLHRMZAIACP-UHFFFAOYSA-N 2 0 239.388 1.883 20 0 BDADRP Cc1cc(NC[C@H]2C[N@@H+](C)CCN2C)cc[nH+]1 ZINC000162777507 350425634 /nfs/dbraw/zinc/42/56/34/350425634.db2.gz NYYYQJIIZXGXPH-ZDUSSCGKSA-N 2 0 234.347 1.048 20 0 BDADRP CC[NH+]1CCC(N(C)Cc2cc(C)no2)CC1 ZINC000336688494 350445306 /nfs/dbraw/zinc/44/53/06/350445306.db2.gz HJEOXFHSSGYUIS-UHFFFAOYSA-N 2 0 237.347 1.899 20 0 BDADRP C[C@@H](C[NH2+]CC1(C)COC1)C[NH+]1CCCC1 ZINC000070617525 350550075 /nfs/dbraw/zinc/55/00/75/350550075.db2.gz WEVRAFCUKQMEJK-LBPRGKRZSA-N 2 0 226.364 1.344 20 0 BDADRP CC[C@@H](COC)[NH2+]C[C@@H]1CC[N@H+](CC)C1 ZINC000070624129 350553729 /nfs/dbraw/zinc/55/37/29/350553729.db2.gz MLBRZJPXVLNBRW-RYUDHWBXSA-N 2 0 214.353 1.343 20 0 BDADRP C[NH+](C)C1(CN[C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623551745 362971624 /nfs/dbraw/zinc/97/16/24/362971624.db2.gz GBUJXXQAAPISIR-LBPRGKRZSA-N 2 0 239.407 1.543 20 0 BDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@H]1CC[C@@H](C)O1 ZINC000251867419 362972757 /nfs/dbraw/zinc/97/27/57/362972757.db2.gz QHFGHUGEYDOZRJ-JHJVBQTASA-N 2 0 228.380 1.859 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)CC)C1 ZINC000564794063 350662350 /nfs/dbraw/zinc/66/23/50/350662350.db2.gz SUTUYSQNYLUBNV-NEPJUHHUSA-N 2 0 214.353 1.079 20 0 BDADRP CC[C@@H]1CCC[N@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000563270981 350747177 /nfs/dbraw/zinc/74/71/77/350747177.db2.gz ICHKUDKEISINAV-VXGBXAGGSA-N 2 0 214.353 1.079 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3nc[nH]c3C2)C1 ZINC000575935034 350777983 /nfs/dbraw/zinc/77/79/83/350777983.db2.gz CNVSHRBEBNEZMW-OUAUKWLOSA-N 2 0 234.347 1.127 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(C(N)=O)cs1 ZINC000571208480 350869596 /nfs/dbraw/zinc/86/95/96/350869596.db2.gz DFNJFFSZMULETO-YUMQZZPRSA-N 2 0 241.360 1.062 20 0 BDADRP CCN1CCC[C@H]([NH2+][C@H](C)CCC[NH3+])C1 ZINC000336688380 350970512 /nfs/dbraw/zinc/97/05/12/350970512.db2.gz LOIQMXKUUNTPPS-NEPJUHHUSA-N 2 0 213.369 1.188 20 0 BDADRP C[C@@H](CCC1CC1)[NH2+]CC1([NH3+])CCOCC1 ZINC000398076466 362999567 /nfs/dbraw/zinc/99/95/67/362999567.db2.gz IWYBDPFETMRJMI-NSHDSACASA-N 2 0 226.364 1.663 20 0 BDADRP [NH3+]CCCN1CCO[C@H](c2ccc(F)cc2)C1 ZINC000414671189 351578700 /nfs/dbraw/zinc/57/87/00/351578700.db2.gz FNRRDCDFEDVAQN-ZDUSSCGKSA-N 2 0 238.306 1.548 20 0 BDADRP CCOC(=O)CC1CC[NH+](CCC[NH3+])CC1 ZINC000414680829 351588559 /nfs/dbraw/zinc/58/85/59/351588559.db2.gz UTGCILKVLZCIEC-UHFFFAOYSA-N 2 0 228.336 1.000 20 0 BDADRP C[C@H](C(=O)NCC1([NH3+])CCCCCC1)[NH+](C)C ZINC000637807814 351643887 /nfs/dbraw/zinc/64/38/87/351643887.db2.gz OQRKAFWAJMXKMI-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP CC(C)[NH2+]CCCN[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000577739714 366048149 /nfs/dbraw/zinc/04/81/49/366048149.db2.gz BSBUZMDSRFMCHE-QWHCGFSZSA-N 3 0 227.396 1.304 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)CCC2C[NH2+]C2)cc1 ZINC000637856898 351716745 /nfs/dbraw/zinc/71/67/45/351716745.db2.gz JDQKFZBZSYWYFA-JTQLQIEISA-N 2 0 247.342 1.644 20 0 BDADRP C[NH+](C)C1CC[NH+](CCC[C@H]2CCO2)CC1 ZINC000637928157 351803483 /nfs/dbraw/zinc/80/34/83/351803483.db2.gz VGZPAFUFNHRCIT-ZDUSSCGKSA-N 2 0 226.364 1.582 20 0 BDADRP C[N@H+](CCC[C@H]1CCO1)CC1CC[NH+](C)CC1 ZINC000638029655 351910175 /nfs/dbraw/zinc/91/01/75/351910175.db2.gz RJFYVOLSFONKHJ-AWEZNQCLSA-N 2 0 240.391 1.829 20 0 BDADRP C[NH+](C)C[C@H]1CC[N@H+](CCC[C@@H]2CCO2)C1 ZINC000638077936 351951266 /nfs/dbraw/zinc/95/12/66/351951266.db2.gz YORPZGQNJUCWHN-CHWSQXEVSA-N 2 0 226.364 1.439 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000638195268 352058220 /nfs/dbraw/zinc/05/82/20/352058220.db2.gz LARNLEIYJFOGCC-RYUDHWBXSA-N 2 0 241.379 1.008 20 0 BDADRP CCOC1CC(C[NH2+]CCC[NH+](C)C)C1 ZINC000638288934 352126645 /nfs/dbraw/zinc/12/66/45/352126645.db2.gz GDJYPKPHXMTRGI-UHFFFAOYSA-N 2 0 214.353 1.343 20 0 BDADRP CC[NH+]1CCC([NH2+]CCC[C@@H]2CCO2)CC1 ZINC000638291138 352126917 /nfs/dbraw/zinc/12/69/17/352126917.db2.gz MGFWKLXOTSESGX-CYBMUJFWSA-N 2 0 226.364 1.629 20 0 BDADRP CCN1CCC[C@H]1C[NH2+]CCC[C@@H]1CCO1 ZINC000638280386 352116385 /nfs/dbraw/zinc/11/63/85/352116385.db2.gz FCQAYJLLNHYZTG-QWHCGFSZSA-N 2 0 226.364 1.629 20 0 BDADRP CC[NH2+][C@@H](C)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000638366786 352178103 /nfs/dbraw/zinc/17/81/03/352178103.db2.gz RLVXWXLVZUDTAO-JTQLQIEISA-N 2 0 235.331 1.390 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)Cc2cnccn2)C1 ZINC000638380595 352190760 /nfs/dbraw/zinc/19/07/60/352190760.db2.gz CUGWDZKMEDRHHV-QWHCGFSZSA-N 2 0 248.374 1.339 20 0 BDADRP CCC[N@@H+]1CC[C@@H](C[NH2+]CCC[C@@H]2CCO2)C1 ZINC000638409441 352218886 /nfs/dbraw/zinc/21/88/86/352218886.db2.gz MHDKIBGIAZPOLH-UONOGXRCSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)[C@@H]1CC1(F)F ZINC000638412602 352222542 /nfs/dbraw/zinc/22/25/42/352222542.db2.gz QFOONTCYBSQGME-AXFHLTTASA-N 2 0 248.317 1.076 20 0 BDADRP C[C@@]1(C[NH2+]C2CCC(C[NH3+])CC2)CCC[NH2+]C1 ZINC000414917956 352272561 /nfs/dbraw/zinc/27/25/61/352272561.db2.gz SREODRRUYKEHSB-JXQTWKCFSA-N 3 0 239.407 1.483 20 0 BDADRP C[C@@]1(C[NH2+]C[C@@H]2CCSC2)CCC[NH2+]C1 ZINC000414918266 352273559 /nfs/dbraw/zinc/27/35/59/352273559.db2.gz UCRJJGQASZBBOQ-NWDGAFQWSA-N 2 0 228.405 1.719 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+]CCC[C@H]1CCO1 ZINC000638465783 352277774 /nfs/dbraw/zinc/27/77/74/352277774.db2.gz GIIBNNNGHZYZPQ-RYUDHWBXSA-N 2 0 214.353 1.485 20 0 BDADRP CCN(CC[NH3+])C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000638522453 352356000 /nfs/dbraw/zinc/35/60/00/352356000.db2.gz HFMKJSPUXXOWJX-CYBMUJFWSA-N 2 0 249.358 1.274 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@H]2CCSC2)CC1 ZINC000044515339 352349655 /nfs/dbraw/zinc/34/96/55/352349655.db2.gz FXQSBMYUIGEFGB-LLVKDONJSA-N 2 0 214.378 1.423 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000414949095 352370384 /nfs/dbraw/zinc/37/03/84/352370384.db2.gz ZOJVTBVCZJKYNS-RNJOBUHISA-N 2 0 225.380 1.105 20 0 BDADRP CC[C@H](C)C[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000414952029 352371932 /nfs/dbraw/zinc/37/19/32/352371932.db2.gz HSGZPBXBPTTZTN-RYUDHWBXSA-N 2 0 214.353 1.391 20 0 BDADRP C[C@H]([NH3+])CC(=O)N1CCCc2cccc(C[NH3+])c21 ZINC000638543126 352374326 /nfs/dbraw/zinc/37/43/26/352374326.db2.gz QWJTWGVOPKERRU-JTQLQIEISA-N 2 0 247.342 1.162 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@H]1CC1(F)F ZINC000638566106 352391846 /nfs/dbraw/zinc/39/18/46/352391846.db2.gz AEVFHIONJDOJLJ-MWLCHTKSSA-N 2 0 232.318 1.962 20 0 BDADRP C[N@@H+]1CCC[C@@H](CNCc2cc(C3CC3)no2)C1 ZINC000638587559 352419058 /nfs/dbraw/zinc/41/90/58/352419058.db2.gz FNTBHCLBPUXWHL-NSHDSACASA-N 2 0 249.358 1.983 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000638642240 352485707 /nfs/dbraw/zinc/48/57/07/352485707.db2.gz VYZWXFQHYXYENY-WOPDTQHZSA-N 2 0 241.379 1.007 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC[C@@H]2CCO2)CC[N@@H+]1C ZINC000638706029 352544770 /nfs/dbraw/zinc/54/47/70/352544770.db2.gz DJZGMKBRCYNMNE-JHJVBQTASA-N 2 0 226.364 1.628 20 0 BDADRP C[C@H]1CC[C@H](NC(=O)c2ccc(C[NH3+])cc2)C[NH2+]1 ZINC000638656571 352497375 /nfs/dbraw/zinc/49/73/75/352497375.db2.gz TYKCFRQISPNERW-GWCFXTLKSA-N 2 0 247.342 1.016 20 0 BDADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CCC1(O)CCC1 ZINC000342811273 352862446 /nfs/dbraw/zinc/86/24/46/352862446.db2.gz SSZJRPNHKSRNPD-YPMHNXCESA-N 2 0 238.375 1.364 20 0 BDADRP C[C@@H]1C[C@H](C[NH+]2CCC([NH+](C)C)CC2)CCO1 ZINC000334253310 352890493 /nfs/dbraw/zinc/89/04/93/352890493.db2.gz XAYQGZXJXUBRGL-CHWSQXEVSA-N 2 0 240.391 1.828 20 0 BDADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@H]1CC1(F)F ZINC000638839222 353016484 /nfs/dbraw/zinc/01/64/84/353016484.db2.gz ZVCRKKGQKHGXQB-MWLCHTKSSA-N 2 0 230.302 1.882 20 0 BDADRP C(C[NH2+]CCC[NH+]1CCCC1)C[C@H]1CCO1 ZINC000638849594 353029692 /nfs/dbraw/zinc/02/96/92/353029692.db2.gz XDYGKDAZKKGBLT-ZDUSSCGKSA-N 2 0 226.364 1.631 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638818944 352999604 /nfs/dbraw/zinc/99/96/04/352999604.db2.gz GKSKLPUIFLAAHO-NEPJUHHUSA-N 2 0 241.379 1.104 20 0 BDADRP CC(C)([NH3+])CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000335866091 188003155 /nfs/dbraw/zinc/00/31/55/188003155.db2.gz XWYUPLUDEYTNKQ-UHFFFAOYSA-N 2 0 239.407 1.674 20 0 BDADRP CC(C)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000111231338 188006182 /nfs/dbraw/zinc/00/61/82/188006182.db2.gz NFNJHDINANGKJK-CQSZACIVSA-N 2 0 239.407 1.497 20 0 BDADRP COc1ccccc1C[C@@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000038041532 188007346 /nfs/dbraw/zinc/00/73/46/188007346.db2.gz OCHUJNTXFZBNBV-GFCCVEGCSA-N 2 0 248.370 1.968 20 0 BDADRP CC(C)[N@H+](C[C@@H](C)O)C[C@@H]1CCC[NH2+]C1 ZINC000220371959 188009440 /nfs/dbraw/zinc/00/94/40/188009440.db2.gz ZEILZACDJMXSQA-VXGBXAGGSA-N 2 0 214.353 1.077 20 0 BDADRP CC(C)[C@H](O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000336690391 188011695 /nfs/dbraw/zinc/01/16/95/188011695.db2.gz GVEWLKOMCVWWNN-ZIAGYGMSSA-N 2 0 242.407 1.810 20 0 BDADRP CC(C)[NH+]1CCC([N@H+](C)CC2(C)COC2)CC1 ZINC000336720931 188012520 /nfs/dbraw/zinc/01/25/20/188012520.db2.gz YQRWQRZZQMZXOO-UHFFFAOYSA-N 2 0 240.391 1.828 20 0 BDADRP CC(C)(C)[C@H]([NH3+])C(=O)Nc1ccc(C[NH3+])cc1 ZINC000295112519 188038349 /nfs/dbraw/zinc/03/83/49/188038349.db2.gz LVWJZTUYXNWSPE-LLVKDONJSA-N 2 0 235.331 1.457 20 0 BDADRP CCC[N@H+](C[C@@H]1CCOC1)C1CC[NH2+]CC1 ZINC000041046050 188043052 /nfs/dbraw/zinc/04/30/52/188043052.db2.gz ZTEWQNBYKMRJCL-LBPRGKRZSA-N 2 0 226.364 1.487 20 0 BDADRP CC(C)[C@H](O)C1(C[NH2+][C@H]2CCC[C@H]2[NH3+])CC1 ZINC000331562380 188052851 /nfs/dbraw/zinc/05/28/51/188052851.db2.gz XJCVZIHIBJAPBU-WOPDTQHZSA-N 2 0 226.364 1.253 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000332432683 188053036 /nfs/dbraw/zinc/05/30/36/188053036.db2.gz VOEHPQZEWPUVMT-REWJHTLYSA-N 2 0 239.407 1.480 20 0 BDADRP CCCC[C@@H]([NH3+])C(=O)N1CCC([NH+](C)C)CC1 ZINC000037619509 358475267 /nfs/dbraw/zinc/47/52/67/358475267.db2.gz KZNBJPMWEUKXBT-GFCCVEGCSA-N 2 0 241.379 1.057 20 0 BDADRP COc1ccccc1C[C@@H](C)[NH2+]CCCC[NH3+] ZINC000037715479 358476437 /nfs/dbraw/zinc/47/64/37/358476437.db2.gz IHBWCRWJEMNJKI-GFCCVEGCSA-N 2 0 236.359 1.955 20 0 BDADRP CCCN(C[C@H]1CCCOC1)[C@H]1CC[NH2+]C1 ZINC000250064162 353267626 /nfs/dbraw/zinc/26/76/26/353267626.db2.gz XZCMMPDVJFWEGC-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000226543038 538116594 /nfs/dbraw/zinc/11/65/94/538116594.db2.gz YXXJCERVRPLCDC-BFHYXJOUSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CCOC1 ZINC000397223503 324113047 /nfs/dbraw/zinc/11/30/47/324113047.db2.gz LUGROXMSQLXNFD-IJLUTSLNSA-N 2 0 212.337 1.130 20 0 BDADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000192120731 353544344 /nfs/dbraw/zinc/54/43/44/353544344.db2.gz QHUIRUMRYLTFGP-DCAQKATOSA-N 2 0 243.395 1.062 20 0 BDADRP CC(C)C[NH+]1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000062912438 353573822 /nfs/dbraw/zinc/57/38/22/353573822.db2.gz ZGQXWAZIJHUNIP-AWEZNQCLSA-N 2 0 239.407 1.260 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H](CO)c2cccnc2)C1 ZINC000577865694 366091334 /nfs/dbraw/zinc/09/13/34/366091334.db2.gz KIGOYIORGATVSH-MCIONIFRSA-N 2 0 249.358 1.017 20 0 BDADRP CCC[C@H](C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)OC ZINC000639113786 353714629 /nfs/dbraw/zinc/71/46/29/353714629.db2.gz VIZZATZLNMSHFM-FRRDWIJNSA-N 2 0 226.364 1.295 20 0 BDADRP CC(C)COCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000232688739 353749452 /nfs/dbraw/zinc/74/94/52/353749452.db2.gz HBYNSQKINFBVAB-BFHYXJOUSA-N 2 0 240.391 1.718 20 0 BDADRP CC[NH+](CC)[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC000343559616 353934066 /nfs/dbraw/zinc/93/40/66/353934066.db2.gz FDIJLDUWGMRGRS-GFCCVEGCSA-N 2 0 243.395 1.173 20 0 BDADRP CC[NH+](CC)[C@@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC000343559617 353934094 /nfs/dbraw/zinc/93/40/94/353934094.db2.gz FDIJLDUWGMRGRS-LBPRGKRZSA-N 2 0 243.395 1.173 20 0 BDADRP CCC[N@@H+]1CC[C@H](CN[C@@H]2C[NH+](C)C[C@@H]2C)C1 ZINC000343686570 353963646 /nfs/dbraw/zinc/96/36/46/353963646.db2.gz BOERNKORFQIGAR-BFHYXJOUSA-N 2 0 239.407 1.258 20 0 BDADRP CCC[N@@H+]1CC[C@H](CN[C@H]2C[NH+](C)C[C@H]2C)C1 ZINC000343686572 353963712 /nfs/dbraw/zinc/96/37/12/353963712.db2.gz BOERNKORFQIGAR-MCIONIFRSA-N 2 0 239.407 1.258 20 0 BDADRP CO[C@H](CC(C)C)C[N@H+](C)CCC[NH+](C)C ZINC000639167715 354038863 /nfs/dbraw/zinc/03/88/63/354038863.db2.gz KDAWRRBUDUVTMJ-CYBMUJFWSA-N 2 0 230.396 1.931 20 0 BDADRP CC(C)CC[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344017963 354080904 /nfs/dbraw/zinc/08/09/04/354080904.db2.gz FFSKPCJKMXFYAB-UHFFFAOYSA-N 2 0 243.439 1.848 20 0 BDADRP C[C@H](F)CC[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344028052 354089886 /nfs/dbraw/zinc/08/98/86/354089886.db2.gz LZRPDHGUCSKNDJ-ZDUSSCGKSA-N 2 0 247.402 1.550 20 0 BDADRP CN(CCC[N@H+](C)CC1CCC1)CC[NH+](C)C ZINC000344047150 354120900 /nfs/dbraw/zinc/12/09/00/354120900.db2.gz YNQRYVPSQUWUKZ-UHFFFAOYSA-N 2 0 241.423 1.602 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]CCC[C@H]2CCO2)C1 ZINC000639170739 354125017 /nfs/dbraw/zinc/12/50/17/354125017.db2.gz WVGKUPNRZKHYHN-KGLIPLIRSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]CCC[C@@H]2CCO2)C1 ZINC000639170741 354125296 /nfs/dbraw/zinc/12/52/96/354125296.db2.gz WVGKUPNRZKHYHN-ZIAGYGMSSA-N 2 0 240.391 1.875 20 0 BDADRP CCCC[C@@H]([NH3+])C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000449686771 202001865 /nfs/dbraw/zinc/00/18/65/202001865.db2.gz YBLCGQASRBGSHC-VXGBXAGGSA-N 2 0 241.379 1.152 20 0 BDADRP CC[N@H+](CCC[NH+](C)C)C[C@@]1(OC)CCOC1 ZINC000639176560 354199747 /nfs/dbraw/zinc/19/97/47/354199747.db2.gz YMYWZHHVGYKMPU-ZDUSSCGKSA-N 2 0 244.379 1.066 20 0 BDADRP CC1CC([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000231787475 363354107 /nfs/dbraw/zinc/35/41/07/363354107.db2.gz IIDBZPOJRKGASJ-MOENNCHZSA-N 2 0 208.349 1.859 20 0 BDADRP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000344331023 354227173 /nfs/dbraw/zinc/22/71/73/354227173.db2.gz ONQSEEWSNXMLDQ-WFASDCNBSA-N 2 0 249.402 1.321 20 0 BDADRP C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000334597040 354230664 /nfs/dbraw/zinc/23/06/64/354230664.db2.gz NLTLMXQGUFXAKY-BXUZGUMPSA-N 2 0 244.342 1.374 20 0 BDADRP CCN1C[C@H](C)[C@H]([NH2+]C[C@H]2CCCC[C@@H]2O)C1 ZINC000344439119 354273543 /nfs/dbraw/zinc/27/35/43/354273543.db2.gz LAQQRFXBLLFFNY-DGAVXFQQSA-N 2 0 240.391 1.467 20 0 BDADRP COCCC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366913408 354772910 /nfs/dbraw/zinc/77/29/10/354772910.db2.gz OBNZRODIXSEPNX-UHFFFAOYSA-N 2 0 240.391 1.831 20 0 BDADRP CC(C)COCC[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000232680233 363378932 /nfs/dbraw/zinc/37/89/32/363378932.db2.gz ULLLLBHXCBDGJH-RYUDHWBXSA-N 2 0 214.353 1.328 20 0 BDADRP CC[C@H](C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O)c1ccccc1 ZINC000346000984 354837049 /nfs/dbraw/zinc/83/70/49/354837049.db2.gz BVRCKROUPYLCER-SNPRPXQTSA-N 2 0 248.370 1.350 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCC[C@@H]1C ZINC000234701572 363428157 /nfs/dbraw/zinc/42/81/57/363428157.db2.gz HMSGUIDVKUAQSV-SRVKXCTJSA-N 2 0 214.353 1.519 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C1CC(C)C1 ZINC000234776301 363430550 /nfs/dbraw/zinc/43/05/50/363430550.db2.gz FJECWKLGYJLXSO-YVNMAJEFSA-N 2 0 200.326 1.128 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCCS1 ZINC000234789254 363431426 /nfs/dbraw/zinc/43/14/26/363431426.db2.gz VXKPPPFLVFRKLC-QWRGUYRKSA-N 2 0 232.393 1.226 20 0 BDADRP c1ccc2c(c1)CC[C@@H]([NH2+]C1CC[NH2+]CC1)CO2 ZINC000335171227 354935259 /nfs/dbraw/zinc/93/52/59/354935259.db2.gz YJCFWXVQYQRRBZ-CQSZACIVSA-N 2 0 246.354 1.722 20 0 BDADRP C[NH2+][C@H]1CCN(C[C@H](C)CC2CCOCC2)C1 ZINC000346639728 355015624 /nfs/dbraw/zinc/01/56/24/355015624.db2.gz JWNYOEQNTOLTHE-OCCSQVGLSA-N 2 0 240.391 1.733 20 0 BDADRP C[NH2+]CCC1CC[NH+](Cc2cc[nH]n2)CC1 ZINC000346694904 355077134 /nfs/dbraw/zinc/07/71/34/355077134.db2.gz XBTLLZHCJWASNT-UHFFFAOYSA-N 2 0 222.336 1.231 20 0 BDADRP CCCC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530237899 324552432 /nfs/dbraw/zinc/55/24/32/324552432.db2.gz GLHIRWMGCYJXOR-CQSZACIVSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCc2ccccc2C1)C1C[NH2+]C1 ZINC000335220894 355061093 /nfs/dbraw/zinc/06/10/93/355061093.db2.gz VUOQNMODXBCXKN-XHDPSFHLSA-N 2 0 230.355 1.741 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCc2ccccc2C1)C1C[NH2+]C1 ZINC000335220889 355061165 /nfs/dbraw/zinc/06/11/65/355061165.db2.gz VUOQNMODXBCXKN-ABAIWWIYSA-N 2 0 230.355 1.741 20 0 BDADRP CCCCOCC[NH2+]C1CC[NH+](CC)CC1 ZINC000040506011 358493850 /nfs/dbraw/zinc/49/38/50/358493850.db2.gz JUMALFYPLVIWHX-UHFFFAOYSA-N 2 0 228.380 1.877 20 0 BDADRP Cc1noc([C@H]2CCCN(CC(C)(C)[NH3+])C2)n1 ZINC000346841307 355133356 /nfs/dbraw/zinc/13/33/56/355133356.db2.gz VNPSPQKAQBJHPL-JTQLQIEISA-N 2 0 238.335 1.295 20 0 BDADRP CC[N@@H+]1CC[C@H](N(C)CC(C)(C)[NH3+])[C@@H](C)C1 ZINC000346973906 355209106 /nfs/dbraw/zinc/20/91/06/355209106.db2.gz IMHYYNQKJWRSLO-RYUDHWBXSA-N 2 0 227.396 1.386 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)[C@H]2CCCC[NH2+]2)c1 ZINC000335241836 355176643 /nfs/dbraw/zinc/17/66/43/355176643.db2.gz OKCLHIHRRFGHGV-CYBMUJFWSA-N 2 0 247.342 1.534 20 0 BDADRP CCC[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000346988473 355189320 /nfs/dbraw/zinc/18/93/20/355189320.db2.gz RGKCPIQJFVCVKO-ZDUSSCGKSA-N 2 0 226.364 1.487 20 0 BDADRP CSC1(C[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000347608788 355233673 /nfs/dbraw/zinc/23/36/73/355233673.db2.gz JYMQSSGIAKXQQI-UHFFFAOYSA-N 2 0 228.405 1.908 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cccc(O)c1 ZINC000394939609 355292184 /nfs/dbraw/zinc/29/21/84/355292184.db2.gz FHSWYYAGWCHBLK-JTQLQIEISA-N 2 0 208.305 1.609 20 0 BDADRP CO[C@H](C[NH2+]CC[C@H]1CCC[N@H+](C)C1)C1CC1 ZINC000639256711 355300129 /nfs/dbraw/zinc/30/01/29/355300129.db2.gz DTRLFVRGCCDLHT-TZMCWYRMSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCCC2(O)CCC2)CC[N@@H+]1C ZINC000639277053 355353401 /nfs/dbraw/zinc/35/34/01/355353401.db2.gz RQZKOPYTUQTOEP-QWHCGFSZSA-N 2 0 240.391 1.754 20 0 BDADRP C[C@@H]1C[C@@H](C[N@H+](C)[C@@H](CO)C(C)(C)C)CC[NH2+]1 ZINC000414698588 191548244 /nfs/dbraw/zinc/54/82/44/191548244.db2.gz DFNABZFIMCPKBT-AGIUHOORSA-N 2 0 242.407 1.713 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)COC2 ZINC000414792297 191569069 /nfs/dbraw/zinc/56/90/69/191569069.db2.gz CCCVVFGBYFONNQ-DOMZBBRYSA-N 2 0 246.354 1.934 20 0 BDADRP CC(C)[C@](C)(O)C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000261538933 535285465 /nfs/dbraw/zinc/28/54/65/535285465.db2.gz ZVZODYJYCKYJOZ-NWDGAFQWSA-N 2 0 214.353 1.125 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NCC[NH+]1CCCC1 ZINC000166444193 355464001 /nfs/dbraw/zinc/46/40/01/355464001.db2.gz NGNASSOGARBSRM-OLZOCXBDSA-N 2 0 225.380 1.012 20 0 BDADRP COC(=O)C(C)(C)CC[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414827229 191590425 /nfs/dbraw/zinc/59/04/25/191590425.db2.gz GXBMXFMNOSPCJF-LLVKDONJSA-N 2 0 242.363 1.165 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1cnc2cc(C)ccn12 ZINC000414829989 191590817 /nfs/dbraw/zinc/59/08/17/191590817.db2.gz BTEZQNUIGSJDSR-GFCCVEGCSA-N 2 0 246.358 1.588 20 0 BDADRP CCOC[C@H](C)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414834710 191593975 /nfs/dbraw/zinc/59/39/75/191593975.db2.gz QSMCMMUTPAQJQK-WDEREUQCSA-N 2 0 200.326 1.001 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+]C[C@@H](C)CC1CCOCC1 ZINC000414846183 191599285 /nfs/dbraw/zinc/59/92/85/191599285.db2.gz UGKZFXZEOXANAR-STQMWFEESA-N 2 0 242.407 1.884 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+][C@H](CO)C(C)(C)C)CC[NH2+]1 ZINC000414747152 191560337 /nfs/dbraw/zinc/56/03/37/191560337.db2.gz SYZSMQSSAWJPFO-GRYCIOLGSA-N 2 0 228.380 1.371 20 0 BDADRP CC[C@H](COC)[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415032357 191657530 /nfs/dbraw/zinc/65/75/30/191657530.db2.gz IATWPHJYPPJGLC-AXFHLTTASA-N 2 0 200.326 1.128 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000415017122 191650922 /nfs/dbraw/zinc/65/09/22/191650922.db2.gz DXIKBZLHHOXIDF-JTQLQIEISA-N 2 0 232.331 1.780 20 0 BDADRP C[C@@H]1CC(C[NH2+]C2CCN(C)CC2)C[C@@H](C)O1 ZINC000335819085 355510218 /nfs/dbraw/zinc/51/02/18/355510218.db2.gz HETVTODWTWSVTE-VXGBXAGGSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CC[NH2+][C@H](C)C1)C1CCOCC1 ZINC000415093568 191676593 /nfs/dbraw/zinc/67/65/93/191676593.db2.gz VSIGCASEYUYARS-UPJWGTAASA-N 2 0 240.391 1.779 20 0 BDADRP CC[C@@H]([NH2+]CC1CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000415074016 191671045 /nfs/dbraw/zinc/67/10/45/191671045.db2.gz BSICYUXLKATEKH-OLZOCXBDSA-N 2 0 226.364 1.533 20 0 BDADRP CCC[N@@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000350181311 355621474 /nfs/dbraw/zinc/62/14/74/355621474.db2.gz NMYOMFGJSJVOJY-CYBMUJFWSA-N 2 0 228.380 1.829 20 0 BDADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCOC)C1 ZINC000350182134 355622170 /nfs/dbraw/zinc/62/21/70/355622170.db2.gz XEENISKLZNWXGC-CYBMUJFWSA-N 2 0 244.379 1.066 20 0 BDADRP CSCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000129641048 355765879 /nfs/dbraw/zinc/76/58/79/355765879.db2.gz ZHOJNMNVQOYGNL-VHSXEESVSA-N 2 0 202.367 1.422 20 0 BDADRP CS[C@H]1CC[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000425366083 191828647 /nfs/dbraw/zinc/82/86/47/191828647.db2.gz ZGNJGQNOOGRSRC-NEPJUHHUSA-N 2 0 228.405 1.812 20 0 BDADRP Cc1cnc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)o1 ZINC000351494587 356001579 /nfs/dbraw/zinc/00/15/79/356001579.db2.gz OIZUOPPDUYVGTK-DCAQKATOSA-N 2 0 221.304 1.152 20 0 BDADRP CC(C)n1ccnc1CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351496329 356002877 /nfs/dbraw/zinc/00/28/77/356002877.db2.gz RBIRTZAKHPHQNS-XQQFMLRXSA-N 2 0 248.374 1.633 20 0 BDADRP C[C@@H]([NH2+]CCCOCC1CC1)[C@H]1CCCC[NH2+]1 ZINC000385955522 355942785 /nfs/dbraw/zinc/94/27/85/355942785.db2.gz DLAJTZJKBFFQAK-TZMCWYRMSA-N 2 0 240.391 1.923 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCCC12CC2 ZINC000583641983 355947534 /nfs/dbraw/zinc/94/75/34/355947534.db2.gz KUIVYTJVNSAZAE-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP Cc1nccc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000351657978 356046184 /nfs/dbraw/zinc/04/61/84/356046184.db2.gz FRFCZHIGMJBPBJ-BXUZGUMPSA-N 2 0 248.374 1.700 20 0 BDADRP C[NH2+][C@@H]1CCCN(CCC[NH+]2CCCCC2)C1 ZINC000420296681 192204633 /nfs/dbraw/zinc/20/46/33/192204633.db2.gz QMTCNATWZYPOPV-CQSZACIVSA-N 2 0 239.407 1.546 20 0 BDADRP C(C[N@@H+]1CCC[C@H]1C1CCC1)N1CC[NH2+]CC1 ZINC000420297485 192205052 /nfs/dbraw/zinc/20/50/52/192205052.db2.gz FYNYVPMCJJHUPD-AWEZNQCLSA-N 2 0 237.391 1.156 20 0 BDADRP C[NH2+]CCC1CC[NH+](Cc2ccnc(N)c2)CC1 ZINC000420300029 192206285 /nfs/dbraw/zinc/20/62/85/192206285.db2.gz CBTWCZPPGVWQNP-UHFFFAOYSA-N 2 0 248.374 1.316 20 0 BDADRP C[C@](C[NH3+])(NCc1ccncc1)C1CC1 ZINC000420289973 192200995 /nfs/dbraw/zinc/20/09/95/192200995.db2.gz LAFLMSJDABTKBS-GFCCVEGCSA-N 2 0 205.305 1.299 20 0 BDADRP CO[C@H](C)C[N@H+](CC[C@H]1CC[NH2+]C1)C(C)C ZINC000420300412 192206697 /nfs/dbraw/zinc/20/66/97/192206697.db2.gz KIFWHEBTOMXJSG-CHWSQXEVSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](CC[C@H]2CCCCO2)C1 ZINC000420314799 192213290 /nfs/dbraw/zinc/21/32/90/192213290.db2.gz LLGPKOSZWHXOQP-CHWSQXEVSA-N 2 0 226.364 1.616 20 0 BDADRP CC(C)COCC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000420337095 192214180 /nfs/dbraw/zinc/21/41/80/192214180.db2.gz MTUHAUAOWOKNBH-UHFFFAOYSA-N 2 0 240.391 1.735 20 0 BDADRP C[NH2+]CCC1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420305024 192209463 /nfs/dbraw/zinc/20/94/63/192209463.db2.gz JOSDZFXBGUPHAY-CQSZACIVSA-N 3 0 239.407 1.308 20 0 BDADRP CC[NH+](CC)CCCN(C)[C@H](C[NH3+])C1CC1 ZINC000420306768 192209760 /nfs/dbraw/zinc/20/97/60/192209760.db2.gz BFZWWOCUEOXIAN-CYBMUJFWSA-N 2 0 227.396 1.387 20 0 BDADRP C(CN(C1CC1)[C@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000420310233 192211426 /nfs/dbraw/zinc/21/14/26/192211426.db2.gz FQIGRSLJZRVUPU-JSGCOSHPSA-N 2 0 237.391 1.202 20 0 BDADRP CCOC(=O)CCCCC[NH2+]CC1([NH3+])CCC1 ZINC000420317602 192212055 /nfs/dbraw/zinc/21/20/55/192212055.db2.gz ZQCZSCMTXTUNIH-UHFFFAOYSA-N 2 0 242.363 1.581 20 0 BDADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)[C@H]1CCN(C2CC2)C1 ZINC000420317194 192212124 /nfs/dbraw/zinc/21/21/24/192212124.db2.gz MQIBHKWUPDXOKB-JSGCOSHPSA-N 2 0 237.391 1.155 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)CCn1cccn1 ZINC000420314477 192212654 /nfs/dbraw/zinc/21/26/54/192212654.db2.gz KCAUFYOGFAXOTJ-ZDUSSCGKSA-N 2 0 236.363 1.205 20 0 BDADRP C[C@@H]([NH3+])CN1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000420367851 192226229 /nfs/dbraw/zinc/22/62/29/192226229.db2.gz WILSLBUBBMCORJ-KOLCDFICSA-N 2 0 249.362 1.209 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])CN1CCC[NH+]1CCCCC1 ZINC000420322742 192227434 /nfs/dbraw/zinc/22/74/34/192227434.db2.gz SVRSHRCFBUQAJL-KGLIPLIRSA-N 2 0 239.407 1.532 20 0 BDADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420322232 192228536 /nfs/dbraw/zinc/22/85/36/192228536.db2.gz WJJRFSVVLZDJST-QWHCGFSZSA-N 3 0 225.380 1.189 20 0 BDADRP COC[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420326174 192229145 /nfs/dbraw/zinc/22/91/45/192229145.db2.gz JLCTZFUXQJJEJW-XQQFMLRXSA-N 2 0 226.364 1.343 20 0 BDADRP C[NH2+]CCC[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000420362633 192221584 /nfs/dbraw/zinc/22/15/84/192221584.db2.gz AZKBRLHCTDZQJR-UHFFFAOYSA-N 2 0 235.375 1.794 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CCCC2(CCCC2)C1 ZINC000420361211 192221670 /nfs/dbraw/zinc/22/16/70/192221670.db2.gz MXHGSTRLVRWCDE-UHFFFAOYSA-N 2 0 226.364 1.618 20 0 BDADRP CCOCCC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420361975 192223004 /nfs/dbraw/zinc/22/30/04/192223004.db2.gz HKYBUZAGRDDZPT-CYBMUJFWSA-N 2 0 226.364 1.489 20 0 BDADRP CCC(C)(C)CC[N@H+](C)C[C@H](O)C[NH3+] ZINC000420362670 192223726 /nfs/dbraw/zinc/22/37/26/192223726.db2.gz ZMPGBEMQSKLNHS-SNVBAGLBSA-N 2 0 202.342 1.064 20 0 BDADRP C[C@H]([NH3+])CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000420383703 192234958 /nfs/dbraw/zinc/23/49/58/192234958.db2.gz ZWBWSHZWZBUKBO-OUCADQQQSA-N 2 0 237.391 1.282 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)[C@H]1CCCO1 ZINC000420404176 192238590 /nfs/dbraw/zinc/23/85/90/192238590.db2.gz LUQACCSGQIRIAZ-SDDRHHMPSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H]1CC[N@H+](CCOCC2CC2)C[C@H]1C[NH3+] ZINC000420410742 192239778 /nfs/dbraw/zinc/23/97/78/192239778.db2.gz RHVMHCVFDWVIBM-WCQYABFASA-N 2 0 226.364 1.330 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CCOCC[NH3+])[C@@H](C)C1 ZINC000420421291 192241871 /nfs/dbraw/zinc/24/18/71/192241871.db2.gz YQJBXFUHPHGTEL-GRYCIOLGSA-N 2 0 214.353 1.376 20 0 BDADRP C[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C[NH3+] ZINC000167588225 134100356 /nfs/dbraw/zinc/10/03/56/134100356.db2.gz ARBIXILHINXDRB-RYUDHWBXSA-N 2 0 219.332 1.498 20 0 BDADRP c1c[nH]c([C@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)n1 ZINC000420378404 192233598 /nfs/dbraw/zinc/23/35/98/192233598.db2.gz UBWANCZCPXKLTB-QWHCGFSZSA-N 2 0 248.374 1.936 20 0 BDADRP [NH3+]CCC[NH2+]Cc1cccc2c1CCCN2 ZINC000415042708 491092369 /nfs/dbraw/zinc/09/23/69/491092369.db2.gz VFVTYUJVDCIODK-UHFFFAOYSA-N 2 0 219.332 1.483 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000420930884 192287650 /nfs/dbraw/zinc/28/76/50/192287650.db2.gz CTYRZQZBXVDJLP-ZIAGYGMSSA-N 2 0 242.407 1.669 20 0 BDADRP C[C@H]1OCC[C@H]1[NH2+]CCN1CCCC1(C)C ZINC000449781693 202034285 /nfs/dbraw/zinc/03/42/85/202034285.db2.gz JGBXZQXEHJQLKK-VXGBXAGGSA-N 2 0 226.364 1.628 20 0 BDADRP CCCC[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405582275 491095804 /nfs/dbraw/zinc/09/58/04/491095804.db2.gz KJUAFICSCBZZCC-GHMZBOCLSA-N 2 0 200.326 1.082 20 0 BDADRP CC[C@@H](C)[N@H+](C)CCN[C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422912046 192504560 /nfs/dbraw/zinc/50/45/60/192504560.db2.gz VBKMQCPWVSFZOY-MCIONIFRSA-N 2 0 241.423 1.837 20 0 BDADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422920061 192505239 /nfs/dbraw/zinc/50/52/39/192505239.db2.gz LMUJJRWUCLGWKC-SYQHCUMBSA-N 2 0 240.391 1.907 20 0 BDADRP CSCC[C@H](CO)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422989423 192520796 /nfs/dbraw/zinc/52/07/96/192520796.db2.gz LPCFEQLTQQCGBI-HTAVTVPLSA-N 2 0 246.420 1.208 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)[C@@H](O)Cc1ccccc1)C1C[NH2+]C1 ZINC000423001406 192524362 /nfs/dbraw/zinc/52/43/62/192524362.db2.gz WXGQZVBIGWBRPP-XUJVJEKNSA-N 2 0 248.370 1.176 20 0 BDADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000423014817 192539772 /nfs/dbraw/zinc/53/97/72/192539772.db2.gz JLODLCFVHFWWBW-DDHJBXDOSA-N 2 0 212.337 1.271 20 0 BDADRP CSCCCCC[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000423048118 192551097 /nfs/dbraw/zinc/55/10/97/192551097.db2.gz HRLOVYCRCCLEMP-QWRGUYRKSA-N 2 0 216.394 1.989 20 0 BDADRP C[C@@H]([NH2+][C@@H](CCO)C(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000423035438 192546015 /nfs/dbraw/zinc/54/60/15/192546015.db2.gz JKYRCPSOONRHEX-WOPDTQHZSA-N 2 0 228.380 1.514 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CC1(CO)CCCC1 ZINC000423047623 192550756 /nfs/dbraw/zinc/55/07/56/192550756.db2.gz GWTGJMKBLJDLLE-STQMWFEESA-N 2 0 240.391 1.789 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@@H]1CCC[C@H]1C[NH3+] ZINC000423088197 192563719 /nfs/dbraw/zinc/56/37/19/192563719.db2.gz RGFBSJLPYZZBCX-FRRDWIJNSA-N 2 0 227.396 1.434 20 0 BDADRP [NH3+]CC1CCC([NH2+]C[C@@H]2CCSC2)CC1 ZINC000423089164 192563782 /nfs/dbraw/zinc/56/37/82/192563782.db2.gz ULMHYTFPAPHXKM-CXQJBGSLSA-N 2 0 228.405 1.847 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1C[C@H]2OCCC[C@H]12 ZINC000423063414 192555756 /nfs/dbraw/zinc/55/57/56/192555756.db2.gz WLJFBNGFSUUADW-RKQHYHRCSA-N 2 0 238.375 1.804 20 0 BDADRP CCc1cc(N2CC[NH+](CCCO)CC2)cc[nH+]1 ZINC000450295149 202121304 /nfs/dbraw/zinc/12/13/04/202121304.db2.gz VJIYJFJKJQTMKA-UHFFFAOYSA-N 2 0 249.358 1.148 20 0 BDADRP Fc1ccc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000088287702 356657179 /nfs/dbraw/zinc/65/71/79/356657179.db2.gz UYDQLEJYHAWGNK-RYUDHWBXSA-N 2 0 220.291 1.477 20 0 BDADRP CO[C@H](C[NH2+]C1CCC(C[NH3+])CC1)C1CC1 ZINC000423125825 192576907 /nfs/dbraw/zinc/57/69/07/192576907.db2.gz AKDFKBOJBVNVSN-KGPNIALWSA-N 2 0 226.364 1.519 20 0 BDADRP C[NH+]1CCC2(CC[N@H+](Cc3cnc[nH]3)C2)CC1 ZINC000639758806 356669955 /nfs/dbraw/zinc/66/99/55/356669955.db2.gz WZYZAHWWKBKICC-UHFFFAOYSA-N 2 0 234.347 1.327 20 0 BDADRP Cc1c[nH+]ccc1N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000167681049 134153562 /nfs/dbraw/zinc/15/35/62/134153562.db2.gz WBLKBINMYCWUIK-CMPLNLGQSA-N 2 0 219.332 1.811 20 0 BDADRP CCSCC[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000167667221 134153781 /nfs/dbraw/zinc/15/37/81/134153781.db2.gz GSDVLQOPYKUWTK-WDEREUQCSA-N 2 0 216.394 1.656 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCC[C@@H](CO)C1)[C@H]1CC[NH2+]C1 ZINC000423121098 192575943 /nfs/dbraw/zinc/57/59/43/192575943.db2.gz IDTMDIMYKFQDOT-RQJABVFESA-N 2 0 240.391 1.373 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)N[C@H](C)C1C[NH2+]C1 ZINC000423141744 192585612 /nfs/dbraw/zinc/58/56/12/192585612.db2.gz ROVWLSCEIBYKAZ-NWDGAFQWSA-N 2 0 227.396 1.304 20 0 BDADRP C[C@@H]([NH2+]CCC[NH+](C)C)[C@@H]1C[C@H]1C1CC1 ZINC000623336767 356727746 /nfs/dbraw/zinc/72/77/46/356727746.db2.gz DGOISXNSLRDYRG-WXHSDQCUSA-N 2 0 210.365 1.962 20 0 BDADRP C[NH+](C)C(C)(C)CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623336829 356728534 /nfs/dbraw/zinc/72/85/34/356728534.db2.gz HQXJEUDXJRGNJT-GFCCVEGCSA-N 2 0 241.423 1.789 20 0 BDADRP COC[C@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623335386 356716931 /nfs/dbraw/zinc/71/69/31/356716931.db2.gz KXDIYPHACVHTLS-QWRGUYRKSA-N 2 0 214.353 1.484 20 0 BDADRP CC[C@H]([NH2+]CCC1(CO)CC1)[C@@H]1CCC[NH2+]1 ZINC000423152907 192591966 /nfs/dbraw/zinc/59/19/66/192591966.db2.gz GJXUVMOKYHZDRW-RYUDHWBXSA-N 2 0 226.364 1.269 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@H]1CC[C@H]1C(C)C ZINC000353466581 538744353 /nfs/dbraw/zinc/74/43/53/538744353.db2.gz ZRIKLKNRQSFIAV-KBPBESRZSA-N 2 0 242.407 1.979 20 0 BDADRP CC[C@H]([NH2+]CCCN1CC[NH2+]CC1)[C@H]1C[C@@H]1C ZINC000423185835 192616054 /nfs/dbraw/zinc/61/60/54/192616054.db2.gz NRFAVJAPJUNEQW-IHRRRGAJSA-N 2 0 239.407 1.306 20 0 BDADRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccsc1 ZINC000423208309 192627893 /nfs/dbraw/zinc/62/78/93/192627893.db2.gz SUBVIARCEBCZMW-LLVKDONJSA-N 2 0 239.388 1.304 20 0 BDADRP C[NH2+]CCCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423197801 192621668 /nfs/dbraw/zinc/62/16/68/192621668.db2.gz BFYRDFRMMKOLFY-QWHCGFSZSA-N 2 0 219.332 1.330 20 0 BDADRP COCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623392677 356986009 /nfs/dbraw/zinc/98/60/09/356986009.db2.gz MBSGZIKGXHNCSV-VXGBXAGGSA-N 2 0 228.380 1.874 20 0 BDADRP CC(C)C[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000389822497 357045086 /nfs/dbraw/zinc/04/50/86/357045086.db2.gz QSEOACYSQGZKQG-RYUDHWBXSA-N 2 0 214.353 1.389 20 0 BDADRP CC(C)C[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000389822498 357045305 /nfs/dbraw/zinc/04/53/05/357045305.db2.gz QSEOACYSQGZKQG-VXGBXAGGSA-N 2 0 214.353 1.389 20 0 BDADRP CCO[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000390678167 357110631 /nfs/dbraw/zinc/11/06/31/357110631.db2.gz YMCQCQMFIIHPGQ-MROQNXINSA-N 2 0 226.364 1.484 20 0 BDADRP Cc1cc(CN[C@H]2CC[N@@H+](C)C(C)(C)C2)on1 ZINC000623404058 357079196 /nfs/dbraw/zinc/07/91/96/357079196.db2.gz PKCIHLQFEFDKPE-NSHDSACASA-N 2 0 237.347 1.945 20 0 BDADRP CC[C@@H](NC[C@@H]([NH3+])C(C)C)[C@@H]1CCC[NH2+]1 ZINC000423268104 192661026 /nfs/dbraw/zinc/66/10/26/192661026.db2.gz FZBJFIUGTFWQED-UTUOFQBUSA-N 2 0 213.369 1.090 20 0 BDADRP CC(F)(F)CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000393596596 357288433 /nfs/dbraw/zinc/28/84/33/357288433.db2.gz AVRSPGXMJQZZDC-BDAKNGLRSA-N 2 0 206.280 1.891 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@@H]1CCCC[C@@H]1O ZINC000393244032 357279560 /nfs/dbraw/zinc/27/95/60/357279560.db2.gz NJBCPXSWQWYFON-XQHKEYJVSA-N 2 0 226.364 1.349 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CCCOC1 ZINC000582546434 357331541 /nfs/dbraw/zinc/33/15/41/357331541.db2.gz RNZGSPCIOTXDOX-GARJFASQSA-N 2 0 200.326 1.128 20 0 BDADRP COc1ncccc1CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000582735004 357376670 /nfs/dbraw/zinc/37/66/70/357376670.db2.gz ALJBGTCSRPZNKO-STQMWFEESA-N 2 0 249.358 1.492 20 0 BDADRP C[NH2+]CCCc1nc([C@H]([NH3+])CC(C)C)no1 ZINC000582664213 357357791 /nfs/dbraw/zinc/35/77/91/357357791.db2.gz AJMPGJGMXMBBJB-SECBINFHSA-N 2 0 226.324 1.268 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H](CO)C1CCCCC1 ZINC000395215245 357428316 /nfs/dbraw/zinc/42/83/16/357428316.db2.gz KFFDIYHSECESNN-YPMHNXCESA-N 2 0 228.380 1.645 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000583085593 357475190 /nfs/dbraw/zinc/47/51/90/357475190.db2.gz IYTACWBCYNUJKQ-KQXIARHKSA-N 2 0 241.379 1.136 20 0 BDADRP Cn1ccc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000230899552 357578565 /nfs/dbraw/zinc/57/85/65/357578565.db2.gz VLVZQTSHFOAMGE-UONOGXRCSA-N 2 0 248.374 1.179 20 0 BDADRP CCN(CCC[NH+](CC)CC)C(=O)CC[NH2+]C ZINC000230712234 357573595 /nfs/dbraw/zinc/57/35/95/357573595.db2.gz AJJLZTSVFXBJSI-UHFFFAOYSA-N 2 0 243.395 1.176 20 0 BDADRP [NH3+]C[C@@H]1CCCN(CCC[NH+]2CCCCC2)C1 ZINC000583203750 357519042 /nfs/dbraw/zinc/51/90/42/357519042.db2.gz JUAJUNHZEPPPCU-AWEZNQCLSA-N 2 0 239.407 1.533 20 0 BDADRP CC(C)([NH3+])CC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188723990 357565870 /nfs/dbraw/zinc/56/58/70/357565870.db2.gz IMAJUMCMUXBDRT-UHFFFAOYSA-N 2 0 247.342 1.033 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@H]1CC[N@H+](C)C[C@H]1C ZINC000361152635 538868047 /nfs/dbraw/zinc/86/80/47/538868047.db2.gz JZFIPTHVXPAWAR-RDBSUJKOSA-N 2 0 241.423 1.647 20 0 BDADRP COCCC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063200083 357593840 /nfs/dbraw/zinc/59/38/40/357593840.db2.gz UZAKJLMRJDYPCU-CYBMUJFWSA-N 2 0 226.364 1.487 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](CCO)C(C)(C)C ZINC000231075124 357597205 /nfs/dbraw/zinc/59/72/05/357597205.db2.gz XGMZDUTUWUQZPT-VXGBXAGGSA-N 2 0 246.395 1.127 20 0 BDADRP COc1ccncc1CN1CCC([NH3+])CC1 ZINC000380541542 357600934 /nfs/dbraw/zinc/60/09/34/357600934.db2.gz HGHATFIAGUOFIS-UHFFFAOYSA-N 2 0 221.304 1.013 20 0 BDADRP CCCCOCC[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231671026 357618429 /nfs/dbraw/zinc/61/84/29/357618429.db2.gz RLCHHAYLUXDEFD-CYBMUJFWSA-N 2 0 228.380 1.877 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CCCC[C@@H]1CCO ZINC000191479540 357773244 /nfs/dbraw/zinc/77/32/44/357773244.db2.gz KDRCWYYLZLTDBW-CQSZACIVSA-N 2 0 242.407 1.955 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]C1CCC(C)CC1 ZINC000234709516 357825987 /nfs/dbraw/zinc/82/59/87/357825987.db2.gz MKPHGQDSZIJBKB-WXRRBKDZSA-N 2 0 228.380 1.909 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CC1CCCCC1 ZINC000234713945 357826704 /nfs/dbraw/zinc/82/67/04/357826704.db2.gz ZOBUDPGDRXRFQD-CYBMUJFWSA-N 2 0 228.380 1.910 20 0 BDADRP C[C@H]1CC(C)(C)C[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000235576314 357879919 /nfs/dbraw/zinc/87/99/19/357879919.db2.gz VECMBENHEHKVRI-QWHCGFSZSA-N 2 0 242.407 1.979 20 0 BDADRP CCC[N@H+](CC)CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000217646055 357909819 /nfs/dbraw/zinc/90/98/19/357909819.db2.gz ONCRVRJGTWQCBW-CHWSQXEVSA-N 2 0 227.396 1.578 20 0 BDADRP CC(C)[NH2+]CCCN[C@@H](C)C[C@H](C)[NH3+] ZINC000584404663 357912204 /nfs/dbraw/zinc/91/22/04/357912204.db2.gz JITAAVAFZPZJHW-QWRGUYRKSA-N 2 0 201.358 1.090 20 0 BDADRP C[NH2+]C[C@@](C)(O)C[NH2+][C@H]1CCCC1(C)C ZINC000584415528 357915610 /nfs/dbraw/zinc/91/56/10/357915610.db2.gz MQBFWHJYEGGUBL-CMPLNLGQSA-N 2 0 214.353 1.125 20 0 BDADRP COC[C@H](C)C[NH2+]C(C)(C)CCC[NH+](C)C ZINC000387346880 357919484 /nfs/dbraw/zinc/91/94/84/357919484.db2.gz RGSVHPVVZAKNSK-GFCCVEGCSA-N 2 0 230.396 1.979 20 0 BDADRP C[NH2+]CC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000035018061 357962907 /nfs/dbraw/zinc/96/29/07/357962907.db2.gz ATTXQFPTRRYJCN-UHFFFAOYSA-N 2 0 247.342 1.440 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CCOC2)CC1(C)C ZINC000623417753 357958329 /nfs/dbraw/zinc/95/83/29/357958329.db2.gz NLBPRCIGEXQOTI-JSGCOSHPSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@H](O)C[NH2+]CCCCC[NH+]1CCCC1 ZINC000584465149 357992457 /nfs/dbraw/zinc/99/24/57/357992457.db2.gz VQHYPGBICRAOMF-ZDUSSCGKSA-N 2 0 228.380 1.613 20 0 BDADRP CSC1(C[NH2+][C@H](C)[C@H](C)O)CC[NH+](C)CC1 ZINC000584465626 357992667 /nfs/dbraw/zinc/99/26/67/357992667.db2.gz SJSLSBBZPCEXOY-MNOVXSKESA-N 2 0 246.420 1.173 20 0 BDADRP COCCC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639981064 358025664 /nfs/dbraw/zinc/02/56/64/358025664.db2.gz HHABPMRHOXXJGP-UHFFFAOYSA-N 2 0 240.391 1.973 20 0 BDADRP CC[NH+](CC)CCCN[C@@H]1CCC[NH2+]CC1 ZINC000168701711 134246478 /nfs/dbraw/zinc/24/64/78/134246478.db2.gz CKJSLPODJUYOHU-CYBMUJFWSA-N 2 0 227.396 1.450 20 0 BDADRP CS[C@H](C)C[NH2+]C1CCC([NH3+])CC1 ZINC000169106262 134249672 /nfs/dbraw/zinc/24/96/72/134249672.db2.gz PKQWIZKSPDFRTO-XNWIYYODSA-N 2 0 202.367 1.597 20 0 BDADRP C[NH+](C)Cc1cccc(NC(=O)C[NH2+]C2CC2)c1 ZINC000037609443 358083347 /nfs/dbraw/zinc/08/33/47/358083347.db2.gz IFISGYVBPNVIKE-UHFFFAOYSA-N 2 0 247.342 1.439 20 0 BDADRP C[C@H](CCc1ccco1)[NH2+]CCCC[NH3+] ZINC000037715312 358092340 /nfs/dbraw/zinc/09/23/40/358092340.db2.gz UBYLUAGIJMRTGN-LLVKDONJSA-N 2 0 210.321 1.929 20 0 BDADRP CSC[C@@H](O)C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000584775304 358175084 /nfs/dbraw/zinc/17/50/84/358175084.db2.gz GLBQNQRCTDWRFC-LBPRGKRZSA-N 2 0 246.420 1.174 20 0 BDADRP CC[NH2+]CCCN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000584714657 358160020 /nfs/dbraw/zinc/16/00/20/358160020.db2.gz XCEHXZVMIWRQDO-NEPJUHHUSA-N 2 0 213.369 1.058 20 0 BDADRP CC[NH2+]CCCN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000584714660 358160040 /nfs/dbraw/zinc/16/00/40/358160040.db2.gz XCEHXZVMIWRQDO-VXGBXAGGSA-N 2 0 213.369 1.058 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCC[NH3+] ZINC000584839344 358199141 /nfs/dbraw/zinc/19/91/41/358199141.db2.gz ZNTCIOZATMXVLJ-NWDGAFQWSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)C[NH+]1CCCC1 ZINC000223008295 358214101 /nfs/dbraw/zinc/21/41/01/358214101.db2.gz FLWDBVYMNUMRIK-MCIONIFRSA-N 2 0 239.407 1.578 20 0 BDADRP CC(C)C[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)[NH+](C)C ZINC000222911492 358216092 /nfs/dbraw/zinc/21/60/92/358216092.db2.gz DDQXVMQNKOILGM-MGPQQGTHSA-N 2 0 241.423 1.822 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H](C)COC)C1 ZINC000225713228 358331728 /nfs/dbraw/zinc/33/17/28/358331728.db2.gz VSUAQYXDVSQKOS-NEPJUHHUSA-N 2 0 214.353 1.200 20 0 BDADRP CCCN(CC[NH+](C)C)C(=O)[C@](C)([NH3+])CCC ZINC000041680318 358334018 /nfs/dbraw/zinc/33/40/18/358334018.db2.gz JFMSULCPYBUTLN-CYBMUJFWSA-N 2 0 243.395 1.304 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000226343879 358337121 /nfs/dbraw/zinc/33/71/21/358337121.db2.gz FSUPZLPYGARFEX-STQMWFEESA-N 2 0 239.407 1.578 20 0 BDADRP CC(C)OCC[NH+]1CCC(CC[NH3+])CC1 ZINC000042427799 358349080 /nfs/dbraw/zinc/34/90/80/358349080.db2.gz OHLUYLNKEJBNAK-UHFFFAOYSA-N 2 0 214.353 1.472 20 0 BDADRP COC[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)C1CC1 ZINC000090717928 491129539 /nfs/dbraw/zinc/12/95/39/491129539.db2.gz ARSCOEOJDPTUQR-BXUZGUMPSA-N 2 0 240.391 1.731 20 0 BDADRP CC(C)(CCO)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000227905686 358365946 /nfs/dbraw/zinc/36/59/46/358365946.db2.gz KUBVSPNWFAVNAL-MNOVXSKESA-N 2 0 214.353 1.255 20 0 BDADRP CC(C)(CCCO)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000227914061 358366793 /nfs/dbraw/zinc/36/67/93/358366793.db2.gz DTQGYDIJPIEVTC-VXGBXAGGSA-N 2 0 228.380 1.645 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC2CCSCC2)C1 ZINC000229215100 358367182 /nfs/dbraw/zinc/36/71/82/358367182.db2.gz OSPSHAKQNUQOSJ-NEPJUHHUSA-N 2 0 228.405 1.989 20 0 BDADRP Cc1cnccc1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000229662109 358406005 /nfs/dbraw/zinc/40/60/05/358406005.db2.gz PSJKPCVKNZDOSO-CYBMUJFWSA-N 2 0 233.359 1.821 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@@H]1CCCOC1 ZINC000044982056 358398577 /nfs/dbraw/zinc/39/85/77/358398577.db2.gz JKKMCGOAWBBARK-GRYCIOLGSA-N 2 0 212.337 1.225 20 0 BDADRP COC1CCC([NH2+]CCOCC[NH+](C)C)CC1 ZINC000219320725 134281153 /nfs/dbraw/zinc/28/11/53/134281153.db2.gz OWPKETGHBZSLPM-UHFFFAOYSA-N 2 0 244.379 1.112 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)[C@H](C)CO ZINC000623427465 358436093 /nfs/dbraw/zinc/43/60/93/358436093.db2.gz AQOSHCUVERMWRB-IJLUTSLNSA-N 2 0 228.380 1.466 20 0 BDADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccccn1 ZINC000219318987 134281570 /nfs/dbraw/zinc/28/15/70/134281570.db2.gz CAVHXVMMRRWFFZ-GFCCVEGCSA-N 2 0 237.347 1.310 20 0 BDADRP COC[C@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000045657423 358564624 /nfs/dbraw/zinc/56/46/24/358564624.db2.gz WZBGEEUIMDKZOT-FDYHWXHSSA-N 2 0 228.380 1.587 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1CCOCC1 ZINC000129924389 358601618 /nfs/dbraw/zinc/60/16/18/358601618.db2.gz SOCVWICKNNQHHR-AAEUAGOBSA-N 2 0 226.364 1.343 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+]C2CCC(OC)CC2)C1 ZINC000129996615 358603873 /nfs/dbraw/zinc/60/38/73/358603873.db2.gz IIIPKQGKTPMHGZ-IYXRBSQSSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000049559612 358694126 /nfs/dbraw/zinc/69/41/26/358694126.db2.gz YDEHOUYNHABBRR-DGCLKSJQSA-N 2 0 249.358 1.143 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(O)CCC1 ZINC000133422089 358754429 /nfs/dbraw/zinc/75/44/29/358754429.db2.gz VNLVVVXPBOSUAR-IJLUTSLNSA-N 2 0 226.364 1.220 20 0 BDADRP CCC[C@@H](CC)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000050403928 358729374 /nfs/dbraw/zinc/72/93/74/358729374.db2.gz AGIJJEYFSKJXCT-CHWSQXEVSA-N 2 0 228.380 1.611 20 0 BDADRP CC[C@H](CCO)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000134352628 358787412 /nfs/dbraw/zinc/78/74/12/358787412.db2.gz UFAFMRRJUMKLMV-DDTOSNHZSA-N 2 0 234.343 1.882 20 0 BDADRP COCCCC[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000135296396 358828410 /nfs/dbraw/zinc/82/84/10/358828410.db2.gz NTASPPUYCLDKHD-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP Cn1nccc1C[NH2+]CCC1CC[NH+](C)CC1 ZINC000135561605 358844606 /nfs/dbraw/zinc/84/46/06/358844606.db2.gz GHNOBNGWHBWTND-UHFFFAOYSA-N 2 0 236.363 1.242 20 0 BDADRP CCC[NH2+]CCN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000423308869 192696260 /nfs/dbraw/zinc/69/62/60/192696260.db2.gz KFHLORFQEULZTD-NEPJUHHUSA-N 2 0 213.369 1.058 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)[C@@H]1CCOC1 ZINC000623430869 358890826 /nfs/dbraw/zinc/89/08/26/358890826.db2.gz JNXAVBGLWHZQGV-XQQFMLRXSA-N 2 0 240.391 1.874 20 0 BDADRP CC(C)CCOCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000086403848 358968315 /nfs/dbraw/zinc/96/83/15/358968315.db2.gz MDRPNNDBVAJWQO-CHWSQXEVSA-N 2 0 228.380 1.909 20 0 BDADRP CC(C)CN(CC[NH+](C)C)C(=O)CC[C@@H](C)[NH3+] ZINC000070316994 359049551 /nfs/dbraw/zinc/04/95/51/359049551.db2.gz GEQYZYDEGXPNQK-GFCCVEGCSA-N 2 0 243.395 1.160 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCCC2)CCO1 ZINC000069859068 359034961 /nfs/dbraw/zinc/03/49/61/359034961.db2.gz KIZBMCGXARNUJA-OLZOCXBDSA-N 2 0 226.364 1.629 20 0 BDADRP CCOC(=O)CCCCC[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000071293365 359074685 /nfs/dbraw/zinc/07/46/85/359074685.db2.gz SYSGWOZQOXAWER-LBPRGKRZSA-N 2 0 242.363 1.391 20 0 BDADRP C[C@H](CC1CCOCC1)[NH2+]CC1=CC[NH2+]CC1 ZINC000423332541 192713767 /nfs/dbraw/zinc/71/37/67/192713767.db2.gz DIZBBEAIOUBSGN-GFCCVEGCSA-N 2 0 238.375 1.701 20 0 BDADRP CCOCC[N@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000247047392 359189491 /nfs/dbraw/zinc/18/94/91/359189491.db2.gz VQBOGSHSWKRVFM-NWDGAFQWSA-N 2 0 214.353 1.437 20 0 BDADRP Cc1cnccc1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000380692940 359352442 /nfs/dbraw/zinc/35/24/42/359352442.db2.gz JDEVEIIBKABAHK-DGCLKSJQSA-N 2 0 219.332 1.478 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000423442697 192772366 /nfs/dbraw/zinc/77/23/66/192772366.db2.gz VGMKOHDBJGTKNH-XQQFMLRXSA-N 3 0 227.396 1.482 20 0 BDADRP C[C@H]([NH3+])c1ccc(C(=O)NCC2([NH3+])CCC2)cc1 ZINC000423513722 192800346 /nfs/dbraw/zinc/80/03/46/192800346.db2.gz RWMJRALWXIYMGX-JTQLQIEISA-N 2 0 247.342 1.318 20 0 BDADRP CC[C@H](O)C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000580423006 359536735 /nfs/dbraw/zinc/53/67/35/359536735.db2.gz BEGDCHBEMZMLMO-ZDUSSCGKSA-N 2 0 226.364 1.364 20 0 BDADRP CC[C@H](C)[N@H+](C)C[C@H](O)CN(C)CC ZINC000379540864 359540525 /nfs/dbraw/zinc/54/05/25/359540525.db2.gz PHPGTKSGXMCGDJ-WDEREUQCSA-N 2 0 202.342 1.029 20 0 BDADRP CC[C@H](C)[N@H+](C)C[C@@H](O)CN(C)CC ZINC000379540863 359540609 /nfs/dbraw/zinc/54/06/09/359540609.db2.gz PHPGTKSGXMCGDJ-QWRGUYRKSA-N 2 0 202.342 1.029 20 0 BDADRP CCn1cc([C@H](C)[NH2+]CCC2=CC[NH2+]CC2)cn1 ZINC000423536890 192808189 /nfs/dbraw/zinc/80/81/89/192808189.db2.gz IMTGGOVHWTZKTD-LBPRGKRZSA-N 2 0 248.374 1.863 20 0 BDADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000423539710 192808261 /nfs/dbraw/zinc/80/82/61/192808261.db2.gz PCIAXRWSTMURHP-YPMHNXCESA-N 2 0 224.348 1.453 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H](C)O)C1 ZINC000580434603 359546042 /nfs/dbraw/zinc/54/60/42/359546042.db2.gz BWSVEDVLSFJGMX-SDDRHHMPSA-N 2 0 214.353 1.077 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2cn[nH]c2)c2ccccc21 ZINC000379590276 359556728 /nfs/dbraw/zinc/55/67/28/359556728.db2.gz UCCZKBMLIXFBTN-UONOGXRCSA-N 2 0 242.326 1.687 20 0 BDADRP COC[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C1CC1 ZINC000623470275 359770444 /nfs/dbraw/zinc/77/04/44/359770444.db2.gz HBARHLMYAWJOSD-QWHCGFSZSA-N 2 0 240.391 1.874 20 0 BDADRP COC[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C1CC1 ZINC000623470276 359770517 /nfs/dbraw/zinc/77/05/17/359770517.db2.gz HBARHLMYAWJOSD-STQMWFEESA-N 2 0 240.391 1.874 20 0 BDADRP CCCC[N@H+](C)CCNc1nc(C)ncc1C ZINC000578522478 366589013 /nfs/dbraw/zinc/58/90/13/366589013.db2.gz MQXHLMPBQKGQPO-UHFFFAOYSA-N 2 0 236.363 1.659 20 0 BDADRP C[C@H]([N@H+](C)CCN1CC[NH2+]CC1)C1(C)CC1 ZINC000087364879 359908494 /nfs/dbraw/zinc/90/84/94/359908494.db2.gz NAEFPQGHAIOFTL-LBPRGKRZSA-N 2 0 225.380 1.012 20 0 BDADRP [NH3+][C@@H]1CCN(Cc2coc3ccccc23)C1 ZINC000087780856 359927774 /nfs/dbraw/zinc/92/77/74/359927774.db2.gz SORNGSDJAWATTL-LLVKDONJSA-N 2 0 216.284 1.966 20 0 BDADRP [NH3+]Cc1ccc(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000578625814 366611347 /nfs/dbraw/zinc/61/13/47/366611347.db2.gz NVYTZZWCEOULCV-WCQYABFASA-N 2 0 247.342 1.003 20 0 BDADRP [NH3+]C1CC[NH+](CCc2ccc3c(c2)CCO3)CC1 ZINC000088100131 359937578 /nfs/dbraw/zinc/93/75/78/359937578.db2.gz UWFNKGRNNDMNPH-UHFFFAOYSA-N 2 0 246.354 1.587 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1cccnc1 ZINC000089144639 359992733 /nfs/dbraw/zinc/99/27/33/359992733.db2.gz IKKDIRBXLOCUNF-UONOGXRCSA-N 2 0 233.359 1.731 20 0 BDADRP CCN(CC)[C@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000089749463 360036615 /nfs/dbraw/zinc/03/66/15/360036615.db2.gz SMKJWTLDQVYBBM-KBPBESRZSA-N 2 0 239.407 1.402 20 0 BDADRP CC[C@@H](C)C[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000093074806 360215281 /nfs/dbraw/zinc/21/52/81/360215281.db2.gz JWVBLSZZWSIOFU-OCCSQVGLSA-N 2 0 242.407 1.715 20 0 BDADRP Cc1n[nH]cc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000093089358 360216701 /nfs/dbraw/zinc/21/67/01/360216701.db2.gz WLUGMNDECJBRNH-UHFFFAOYSA-N 2 0 236.363 1.492 20 0 BDADRP C[C@H]([NH2+]CCC(C)(C)O)C1CC[NH+](C)CC1 ZINC000309333784 491148020 /nfs/dbraw/zinc/14/80/20/491148020.db2.gz UPLFSVUEBFMYFT-NSHDSACASA-N 2 0 228.380 1.467 20 0 BDADRP CC[NH+](CC)CCCN[C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000093462343 360245903 /nfs/dbraw/zinc/24/59/03/360245903.db2.gz JCCLTYNJEBSOLX-UONOGXRCSA-N 2 0 241.423 1.839 20 0 BDADRP C[C@@H](C(=O)NC(C)(C)C)N(C)CC(C)(C)C[NH3+] ZINC000093874336 360286224 /nfs/dbraw/zinc/28/62/24/360286224.db2.gz JMTWBEPETUAERP-JTQLQIEISA-N 2 0 243.395 1.206 20 0 BDADRP CC[C@H](C)NC(=O)[C@@H](C)N(C)CC(C)(C)C[NH3+] ZINC000093874175 360286373 /nfs/dbraw/zinc/28/63/73/360286373.db2.gz MEYSHTBCAXTLDL-WDEREUQCSA-N 2 0 243.395 1.206 20 0 BDADRP CC(C)CNC(=O)[C@H](C)N(C)CC(C)(C)C[NH3+] ZINC000093874142 360286417 /nfs/dbraw/zinc/28/64/17/360286417.db2.gz AQFRLKLRGLBTIB-NSHDSACASA-N 2 0 243.395 1.064 20 0 BDADRP C[C@@H](CO)CCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623474669 360410340 /nfs/dbraw/zinc/41/03/40/360410340.db2.gz LDMZHZKNJYCHBL-OLZOCXBDSA-N 2 0 242.407 1.857 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000629404853 361055215 /nfs/dbraw/zinc/05/52/15/361055215.db2.gz RNDSNWZLZCOZIQ-RWMBFGLXSA-N 2 0 228.380 1.637 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000629388727 361035105 /nfs/dbraw/zinc/03/51/05/361035105.db2.gz PFRRPFYLMRLMFJ-SCUASFONSA-N 2 0 237.391 1.199 20 0 BDADRP CC(C)[C@@H]1CCC[C@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629389923 361036163 /nfs/dbraw/zinc/03/61/63/361036163.db2.gz XHGHCASDRDIMOE-QWHCGFSZSA-N 2 0 240.391 1.909 20 0 BDADRP CC1(C)CCC[C@@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629387358 361038732 /nfs/dbraw/zinc/03/87/32/361038732.db2.gz FMINKWATETVXEC-NSHDSACASA-N 2 0 226.364 1.663 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000629392747 361042037 /nfs/dbraw/zinc/04/20/37/361042037.db2.gz SSHSSKSKMIALSO-YNEHKIRRSA-N 2 0 228.380 1.637 20 0 BDADRP C[C@H]1CCCC[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629397818 361047788 /nfs/dbraw/zinc/04/77/88/361047788.db2.gz DAIJPAATWKAYAS-RYUDHWBXSA-N 2 0 214.353 1.520 20 0 BDADRP [NH3+]CCCOCC[NH2+]Cc1c(F)cccc1F ZINC000629398167 361048715 /nfs/dbraw/zinc/04/87/15/361048715.db2.gz NVYIFTGXCUEBEO-UHFFFAOYSA-N 2 0 244.285 1.420 20 0 BDADRP C[C@@H](CCc1ccco1)[NH2+]CCOCCC[NH3+] ZINC000629398596 361049009 /nfs/dbraw/zinc/04/90/09/361049009.db2.gz VMJBJWKFBSDRIU-LBPRGKRZSA-N 2 0 240.347 1.556 20 0 BDADRP [NH3+]CCCOCC[NH2+]Cc1cccc(F)c1 ZINC000629398280 361049187 /nfs/dbraw/zinc/04/91/87/361049187.db2.gz QGSIPSGSLQEQNY-UHFFFAOYSA-N 2 0 226.295 1.281 20 0 BDADRP [NH3+]CCCOCC[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000629400240 361050855 /nfs/dbraw/zinc/05/08/55/361050855.db2.gz QYKWXNNKHBCHMM-ZIAGYGMSSA-N 2 0 240.391 1.910 20 0 BDADRP C[C@@H](CC1CCCC1)[NH2+]CCOCCC[NH3+] ZINC000629400317 361051753 /nfs/dbraw/zinc/05/17/53/361051753.db2.gz UALDAHCWTCLPRK-LBPRGKRZSA-N 2 0 228.380 1.910 20 0 BDADRP CCO[C@H](C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1)C1CC1 ZINC000629521540 361118050 /nfs/dbraw/zinc/11/80/50/361118050.db2.gz UNWBEGUBEMZCSA-RAIGVLPGSA-N 2 0 226.364 1.471 20 0 BDADRP C[C@H]([NH2+]CC1([NH3+])CCOCC1)[C@H]1C[C@H]1C ZINC000629518632 361118791 /nfs/dbraw/zinc/11/87/91/361118791.db2.gz AHTZVBBLFKSROC-VWYCJHECSA-N 2 0 212.337 1.128 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)[C@@H]([NH3+])CC(C)C)c1 ZINC000424238397 200894396 /nfs/dbraw/zinc/89/43/96/200894396.db2.gz KYQIEDSPQZSBDK-ZDUSSCGKSA-N 2 0 249.358 1.766 20 0 BDADRP COCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424289816 200898625 /nfs/dbraw/zinc/89/86/25/200898625.db2.gz CINQLFPXPNGNGZ-HBNTYKKESA-N 2 0 200.326 1.271 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000629517337 361114227 /nfs/dbraw/zinc/11/42/27/361114227.db2.gz LVIWMYIIYNHARK-UPJWGTAASA-N 2 0 238.375 1.818 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000629528192 361132978 /nfs/dbraw/zinc/13/29/78/361132978.db2.gz RUDRBQDBGWZALI-QNWHQSFQSA-N 2 0 226.364 1.674 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)c1c[nH+]ccc1N ZINC000629527830 361133702 /nfs/dbraw/zinc/13/37/02/361133702.db2.gz HDRMHFSJHZTPRJ-JIMOISOXSA-N 2 0 234.347 1.285 20 0 BDADRP CC[C@H](N[C@@H]1CC[NH2+][C@H]1CC)[C@@H]1CCC[NH2+]1 ZINC000629527729 361133740 /nfs/dbraw/zinc/13/37/40/361133740.db2.gz DEDCNHXHPSYOOL-ZDEQEGDKSA-N 2 0 225.380 1.247 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1cncs1 ZINC000629528678 361137198 /nfs/dbraw/zinc/13/71/98/361137198.db2.gz GMRXIHPQMQFADV-VIFPVBQESA-N 2 0 229.349 1.030 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000629528721 361138154 /nfs/dbraw/zinc/13/81/54/361138154.db2.gz HRGOWARQWOFZMV-SWLSCSKDSA-N 2 0 248.370 1.746 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000629529184 361138158 /nfs/dbraw/zinc/13/81/58/361138158.db2.gz UQZXBQMPAIKFJY-ZDUSSCGKSA-N 2 0 236.359 1.882 20 0 BDADRP CC[C@H]1CCCC[C@H]1[NH2+]CCOCC[NH2+]C ZINC000629529909 361141572 /nfs/dbraw/zinc/14/15/72/361141572.db2.gz QGFYHMHYJZYVPR-QWHCGFSZSA-N 2 0 228.380 1.781 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000629530972 361145841 /nfs/dbraw/zinc/14/58/41/361145841.db2.gz WHHZGGXIWXGTFP-RYUDHWBXSA-N 2 0 228.380 1.637 20 0 BDADRP CC[C@H]([NH2+]CCOCC[NH2+]C)[C@H]1C[C@H]1C ZINC000629531347 361148846 /nfs/dbraw/zinc/14/88/46/361148846.db2.gz HYIBHCVTVSFPQH-WOPDTQHZSA-N 2 0 214.353 1.247 20 0 BDADRP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)C(C)(C)C ZINC000629522167 361122766 /nfs/dbraw/zinc/12/27/66/361122766.db2.gz WPILUKBADJOHFM-SNVBAGLBSA-N 2 0 214.353 1.519 20 0 BDADRP CC[C@@H]1CCC[C@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629524779 361125591 /nfs/dbraw/zinc/12/55/91/361125591.db2.gz PGRJWZGDGOBNKA-VXGBXAGGSA-N 2 0 226.364 1.663 20 0 BDADRP CSC1(C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000579163938 366726286 /nfs/dbraw/zinc/72/62/86/366726286.db2.gz WHKNOLQVLACXMM-UHFFFAOYSA-N 2 0 216.394 1.766 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@H](F)C1)[C@@H]1CC[NH2+]C1 ZINC000579232640 366728546 /nfs/dbraw/zinc/72/85/46/366728546.db2.gz RWEPQHSMMJOCPR-WHOHXGKFSA-N 2 0 214.328 1.855 20 0 BDADRP CCC[NH+](CCC)CCC[NH2+]C[C@H](C)O ZINC000579222352 366736832 /nfs/dbraw/zinc/73/68/32/366736832.db2.gz KTYZQBVGRJRLHZ-LBPRGKRZSA-N 2 0 216.369 1.469 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+]CC[C@H](C)[NH3+])CCO1 ZINC000622045148 370678863 /nfs/dbraw/zinc/67/88/63/370678863.db2.gz DCGZYSXKMWIVIO-TUAOUCFPSA-N 2 0 214.353 1.517 20 0 BDADRP CC[C@@H]([NH2+]CC[C@H](C)[NH3+])[C@H]1CCOC1 ZINC000622045340 370679447 /nfs/dbraw/zinc/67/94/47/370679447.db2.gz OAPWUWNMDFTJSG-GARJFASQSA-N 2 0 200.326 1.128 20 0 BDADRP C[C@H](Cc1ccccc1F)[NH2+]CCC[NH3+] ZINC000162531012 361354091 /nfs/dbraw/zinc/35/40/91/361354091.db2.gz NOJANMMSRRDBSI-SNVBAGLBSA-N 2 0 210.296 1.695 20 0 BDADRP CC[C@@H](C(=O)NC[C@H]([NH3+])C(C)C)[NH+](CC)CC ZINC000429166721 201075556 /nfs/dbraw/zinc/07/55/56/201075556.db2.gz WZYSQKRIGFEYNR-RYUDHWBXSA-N 2 0 243.395 1.206 20 0 BDADRP CC[NH+](CC)CCC[N@H+](C)C1(CO)CCC1 ZINC000429263176 201085230 /nfs/dbraw/zinc/08/52/30/201085230.db2.gz IQYVKJOQJYTEDN-UHFFFAOYSA-N 2 0 228.380 1.565 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000429387060 201105729 /nfs/dbraw/zinc/10/57/29/201105729.db2.gz YJPTWDSFHYTXFI-YPMHNXCESA-N 2 0 241.379 1.010 20 0 BDADRP [NH3+]CCCOCCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000629539419 361405947 /nfs/dbraw/zinc/40/59/47/361405947.db2.gz QYJRRTWHMXUBNL-UONOGXRCSA-N 2 0 249.358 1.086 20 0 BDADRP CC(C)[NH2+]CCCN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000579342129 366761822 /nfs/dbraw/zinc/76/18/22/366761822.db2.gz MXUIDKRMDRBMEN-STQMWFEESA-N 2 0 227.396 1.495 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000629538570 361403551 /nfs/dbraw/zinc/40/35/51/361403551.db2.gz OJXRXYVJCPEAJI-KVSVUVNWSA-N 2 0 228.380 1.905 20 0 BDADRP [NH3+]CCCOCC[NH2+][C@H]1CCCC12CCC2 ZINC000629540036 361414060 /nfs/dbraw/zinc/41/40/60/361414060.db2.gz RXUVBTNIBLISSW-LBPRGKRZSA-N 2 0 226.364 1.664 20 0 BDADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629540594 361414249 /nfs/dbraw/zinc/41/42/49/361414249.db2.gz VFBOYMSWFIDGGG-NEPJUHHUSA-N 2 0 228.380 1.766 20 0 BDADRP C[C@H]([NH2+]CCOCCC[NH3+])[C@H]1CC1(C)C ZINC000629534496 361407483 /nfs/dbraw/zinc/40/74/83/361407483.db2.gz ADXPHZCUSVSZKE-WDEREUQCSA-N 2 0 214.353 1.376 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1CO ZINC000579461591 366813216 /nfs/dbraw/zinc/81/32/16/366813216.db2.gz JZVYAGKVRPMLGK-IUODEOHRSA-N 2 0 248.370 1.786 20 0 BDADRP CC[C@@H]1CCCC[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629539594 361407488 /nfs/dbraw/zinc/40/74/88/361407488.db2.gz QKBKPZQWAKPWOK-OLZOCXBDSA-N 2 0 228.380 1.910 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000629547436 361430208 /nfs/dbraw/zinc/43/02/08/361430208.db2.gz JTXZTLGODVXXIV-RFQIPJPRSA-N 2 0 238.375 1.661 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000629548153 361432698 /nfs/dbraw/zinc/43/26/98/361432698.db2.gz XBRHRYWQPDJYRA-ODXJTPSBSA-N 2 0 237.391 1.247 20 0 BDADRP CC[N@@H+]1CC[C@@H](N[C@@H]2CC[NH2+][C@H]2C)[C@H](C)C1 ZINC000629548537 361434700 /nfs/dbraw/zinc/43/47/00/361434700.db2.gz PTNUQWNZLLQLKZ-YVECIDJPSA-N 2 0 225.380 1.057 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000629554641 361440348 /nfs/dbraw/zinc/44/03/48/361440348.db2.gz LOYASJNASNJWHI-KSTCHIGDSA-N 2 0 238.375 1.389 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCCN1C ZINC000629551475 361444141 /nfs/dbraw/zinc/44/41/41/361444141.db2.gz UECOTXCTSUZOLA-RWMBFGLXSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CN1 ZINC000629542038 361418267 /nfs/dbraw/zinc/41/82/67/361418267.db2.gz XFYZCQURTVDSNK-ITGHMWBKSA-N 2 0 237.391 1.105 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)[C@H](C)c1ccccn1 ZINC000629569382 361461583 /nfs/dbraw/zinc/46/15/83/361461583.db2.gz BQMMVBOXQGRUIS-GFCCVEGCSA-N 2 0 237.347 1.310 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)CCCC1CCC1 ZINC000629571705 361461866 /nfs/dbraw/zinc/46/18/66/361461866.db2.gz HSPAAQWEBVWPRE-UHFFFAOYSA-N 2 0 228.380 1.735 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](CCOc2cccc(F)c2)C1 ZINC000430944704 201158675 /nfs/dbraw/zinc/15/86/75/201158675.db2.gz UPBUDZFSQSLXDT-NSHDSACASA-N 2 0 238.306 1.485 20 0 BDADRP C[C@@H](c1cccnc1)[N@H+](C)CCOCC[NH3+] ZINC000629578564 361465053 /nfs/dbraw/zinc/46/50/53/361465053.db2.gz RIQLWTOJFGYUAH-NSHDSACASA-N 2 0 223.320 1.050 20 0 BDADRP C[C@@H]1CCCC[C@H]1C[N@H+](C)CCOCC[NH3+] ZINC000629581076 361471246 /nfs/dbraw/zinc/47/12/46/361471246.db2.gz MGUNGCHMMHSQPF-OLZOCXBDSA-N 2 0 228.380 1.720 20 0 BDADRP CC(C)CC[C@@H](O)C[NH2+]C[C@H]1CCCN1C ZINC000629590607 361481232 /nfs/dbraw/zinc/48/12/32/361481232.db2.gz WLZXCHLOJDCRGD-CHWSQXEVSA-N 2 0 228.380 1.467 20 0 BDADRP CC(C)CC[C@H](O)C[NH2+]C[C@H]1CCCN1C ZINC000629590608 361481282 /nfs/dbraw/zinc/48/12/82/361481282.db2.gz WLZXCHLOJDCRGD-OLZOCXBDSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@@H]([NH3+])CN1CCCc2cccc(C[NH3+])c21 ZINC000629561143 361455984 /nfs/dbraw/zinc/45/59/84/361455984.db2.gz QZZJEYAXWXCSNU-SNVBAGLBSA-N 2 0 219.332 1.245 20 0 BDADRP C[C@H]([NH3+])CN1CCCc2cccc(C[NH3+])c21 ZINC000629561142 361456217 /nfs/dbraw/zinc/45/62/17/361456217.db2.gz QZZJEYAXWXCSNU-JTQLQIEISA-N 2 0 219.332 1.245 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)CC1(OC)CCCC1 ZINC000629654885 361559097 /nfs/dbraw/zinc/55/90/97/361559097.db2.gz TZKMODRAWNQJNG-UHFFFAOYSA-N 2 0 244.379 1.113 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](Cc2ccn(C)c2)C[C@@H]1C[NH3+] ZINC000629648048 361538750 /nfs/dbraw/zinc/53/87/50/361538750.db2.gz FUJGJEJVFDBJBB-DYEKYZERSA-N 2 0 235.375 1.830 20 0 BDADRP C[N@H+](CCn1cccn1)C[C@@H]1CCC[NH+](C)C1 ZINC000152473691 201200024 /nfs/dbraw/zinc/20/00/24/201200024.db2.gz IWKXODZHAAUGPJ-CYBMUJFWSA-N 2 0 236.363 1.157 20 0 BDADRP C[C@@H]1CC[N@H+](CC2=CCCOC2)C[C@H]1C[NH3+] ZINC000629648567 361540952 /nfs/dbraw/zinc/54/09/52/361540952.db2.gz RBHWPXBGKKKSGC-DGCLKSJQSA-N 2 0 224.348 1.250 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629659440 361563296 /nfs/dbraw/zinc/56/32/96/361563296.db2.gz AAFNZJNBRQZTLK-LPWJVIDDSA-N 2 0 225.380 1.247 20 0 BDADRP COC1(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)CCCC1 ZINC000629648917 361542417 /nfs/dbraw/zinc/54/24/17/361542417.db2.gz CLAHFGKZZZGHFJ-VXGBXAGGSA-N 2 0 226.364 1.663 20 0 BDADRP C1=C(C[NH2+]CCC[C@@H]2CCC[NH2+]2)COCC1 ZINC000629649306 361544438 /nfs/dbraw/zinc/54/44/38/361544438.db2.gz PCYLQRIHJDOHOT-CYBMUJFWSA-N 2 0 224.348 1.455 20 0 BDADRP COC1(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])CCCC1 ZINC000629649783 361546055 /nfs/dbraw/zinc/54/60/55/361546055.db2.gz GJVYRGSWOVSOKH-MNOVXSKESA-N 2 0 214.353 1.661 20 0 BDADRP C[C@@H]1CC2(C[N@@H+]1Cc1ccn(C)c1)CC[NH2+]CC2 ZINC000629650349 361547653 /nfs/dbraw/zinc/54/76/53/361547653.db2.gz SBSQLNGACHTVMZ-CYBMUJFWSA-N 2 0 247.386 1.989 20 0 BDADRP [NH3+]CC1(CC[NH2+]CC2=CCCOC2)CC1 ZINC000629650195 361548388 /nfs/dbraw/zinc/54/83/88/361548388.db2.gz QLFOVHVBCMIGTP-UHFFFAOYSA-N 2 0 210.321 1.052 20 0 BDADRP CC[NH2+]CC1CC[NH+](CC2=CCCOC2)CC1 ZINC000629652005 361549551 /nfs/dbraw/zinc/54/95/51/361549551.db2.gz SHCJNNFZWIMRBL-UHFFFAOYSA-N 2 0 238.375 1.655 20 0 BDADRP C1=C(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)COCC1 ZINC000629653455 361553299 /nfs/dbraw/zinc/55/32/99/361553299.db2.gz JBEIEKXEMJCONF-CQSZACIVSA-N 2 0 236.359 1.409 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC3=CCCOC3)C[C@H]21 ZINC000629646705 361532540 /nfs/dbraw/zinc/53/25/40/361532540.db2.gz CHBGIHXVFWPJEL-MGPQQGTHSA-N 2 0 236.359 1.392 20 0 BDADRP C[C@@H]1CCC[C@@H](C[NH2+]CCOCCC[NH3+])C1 ZINC000629677693 361600506 /nfs/dbraw/zinc/60/05/06/361600506.db2.gz DKPGQMVDHHMEOG-CHWSQXEVSA-N 2 0 228.380 1.768 20 0 BDADRP CC1(C[NH2+]CCOCCC[NH3+])CCC1 ZINC000629677736 361601128 /nfs/dbraw/zinc/60/11/28/361601128.db2.gz GAPUWXKGFBICDJ-UHFFFAOYSA-N 2 0 200.326 1.132 20 0 BDADRP C[N@H+](CCOCC[NH3+])Cc1cccc2c1CCC2 ZINC000629665716 361587514 /nfs/dbraw/zinc/58/75/14/361587514.db2.gz OIRLFQJWSHHOBY-UHFFFAOYSA-N 2 0 248.370 1.582 20 0 BDADRP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](C[C@@H]1CCSC1)C2 ZINC000629669853 361589396 /nfs/dbraw/zinc/58/93/96/361589396.db2.gz YHRSPDAFQPYQLX-RWMBFGLXSA-N 2 0 240.416 1.671 20 0 BDADRP CC[C@@H]([NH2+]CCC[N@H+](C)CCOC)C(C)C ZINC000153769907 201247162 /nfs/dbraw/zinc/24/71/62/201247162.db2.gz ZRCAKAROQJYSQP-CYBMUJFWSA-N 2 0 230.396 1.979 20 0 BDADRP [NH3+]C1CCC([NH2+]CC2CCSCC2)CC1 ZINC000229222436 181341277 /nfs/dbraw/zinc/34/12/77/181341277.db2.gz QWOFTMJJTHEKDL-UHFFFAOYSA-N 2 0 228.405 1.989 20 0 BDADRP [NH3+]CCc1ccc(C2=CC[NH2+]CC2)cc1 ZINC000629723201 361662486 /nfs/dbraw/zinc/66/24/86/361662486.db2.gz JRGYCUUCCSNDBZ-UHFFFAOYSA-N 2 0 202.301 1.565 20 0 BDADRP C[NH2+]CCCN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000435880090 201293125 /nfs/dbraw/zinc/29/31/25/201293125.db2.gz NFAXGSZDUGFJHN-ZDUSSCGKSA-N 2 0 225.380 1.014 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000435877768 201293207 /nfs/dbraw/zinc/29/32/07/201293207.db2.gz UXDHUSAJOQDFDB-CYBMUJFWSA-N 2 0 226.364 1.489 20 0 BDADRP CC[N@@H+]1CC[C@H](N(C)CCC[NH2+]C)C[C@H]1C ZINC000435878643 201293422 /nfs/dbraw/zinc/29/34/22/201293422.db2.gz DVKJYTYKYXNACJ-OLZOCXBDSA-N 2 0 227.396 1.401 20 0 BDADRP Cc1ccc(F)cc1C[N@H+](C)CCC[NH3+] ZINC000164144791 361696082 /nfs/dbraw/zinc/69/60/82/361696082.db2.gz GLXYANMEZPTJRS-UHFFFAOYSA-N 2 0 210.296 1.915 20 0 BDADRP CC[C@H]([NH2+]CCN(C)C(C)C)[C@@H]1CCOC1 ZINC000155779557 201353588 /nfs/dbraw/zinc/35/35/88/201353588.db2.gz QPLSXDVAQSBHDV-OLZOCXBDSA-N 2 0 228.380 1.731 20 0 BDADRP CC[C@@H]([NH2+]CCN(C)C(C)C)[C@@H]1CCOC1 ZINC000155779677 201353924 /nfs/dbraw/zinc/35/39/24/201353924.db2.gz QPLSXDVAQSBHDV-CHWSQXEVSA-N 2 0 228.380 1.731 20 0 BDADRP CCN1C[C@H]([NH2+]CC2(N(C)C)CCC2)[C@@H](C)C1 ZINC000437107530 201344147 /nfs/dbraw/zinc/34/41/47/201344147.db2.gz PPPWGUYDTXOXFT-STQMWFEESA-N 2 0 239.407 1.401 20 0 BDADRP C[NH+](C)CC1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000437584415 201360348 /nfs/dbraw/zinc/36/03/48/201360348.db2.gz RSOHBEXYDYLVFF-CQSZACIVSA-N 2 0 240.391 1.687 20 0 BDADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCC[NH3+])C[C@@H]1C ZINC000437805158 201375692 /nfs/dbraw/zinc/37/56/92/201375692.db2.gz WPMVPJFGQRFIOX-QJPTWQEYSA-N 2 0 242.363 1.293 20 0 BDADRP C[C@@H]1CCCCN1CC[NH2+]CC[C@@H]1CCOC1 ZINC000438086033 201385649 /nfs/dbraw/zinc/38/56/49/201385649.db2.gz REHQRLSOJZORCI-ZIAGYGMSSA-N 2 0 240.391 1.877 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](CC[C@@H]2CCOC2)C1 ZINC000438090054 201388106 /nfs/dbraw/zinc/38/81/06/201388106.db2.gz ACUGZUOHKYGAMX-ZIAGYGMSSA-N 2 0 240.391 1.687 20 0 BDADRP [NH3+]CC1(O)CC[NH+](CC2CCCCC2)CC1 ZINC000335112122 181361755 /nfs/dbraw/zinc/36/17/55/181361755.db2.gz SDVJAKISGMIQBW-UHFFFAOYSA-N 2 0 226.364 1.352 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@H]2CCCc3cn[nH]c32)CC1 ZINC000333292335 181363725 /nfs/dbraw/zinc/36/37/25/181363725.db2.gz OVGCHMCCHOXFIA-GDKBPFBDSA-N 2 0 248.374 1.894 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@@H]2CCCc3cn[nH]c32)CC1 ZINC000333292336 181363761 /nfs/dbraw/zinc/36/37/61/181363761.db2.gz OVGCHMCCHOXFIA-KGPNIALWSA-N 2 0 248.374 1.894 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000044513681 181365656 /nfs/dbraw/zinc/36/56/56/181365656.db2.gz UVGSPOSWAVJMAJ-UHFFFAOYSA-N 2 0 244.342 1.734 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000336409679 181365713 /nfs/dbraw/zinc/36/57/13/181365713.db2.gz ODLUZTWTGJNTEI-UHFFFAOYSA-N 2 0 244.342 1.734 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000044511872 181365813 /nfs/dbraw/zinc/36/58/13/181365813.db2.gz JBVPOJMVKFCYSU-UHFFFAOYSA-N 2 0 220.316 1.563 20 0 BDADRP CCC[NH+]1CCC(N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000398996088 364666757 /nfs/dbraw/zinc/66/67/57/364666757.db2.gz PIQGKAZFZAXFHP-TZMCWYRMSA-N 2 0 239.407 1.591 20 0 BDADRP CSCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250957141 364692917 /nfs/dbraw/zinc/69/29/17/364692917.db2.gz SIMPFOVIOYIVMQ-IJLUTSLNSA-N 2 0 228.405 1.860 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H](C)[C@H](C)O)CC1 ZINC000087129171 364751935 /nfs/dbraw/zinc/75/19/35/364751935.db2.gz JSQRYDAXQQFAJG-MNOVXSKESA-N 2 0 214.353 1.077 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H](C)[C@@H](C)O)CC1 ZINC000087129167 364752016 /nfs/dbraw/zinc/75/20/16/364752016.db2.gz JSQRYDAXQQFAJG-GHMZBOCLSA-N 2 0 214.353 1.077 20 0 BDADRP COC[C@@H](C)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000580514360 364777686 /nfs/dbraw/zinc/77/76/86/364777686.db2.gz NPXYLMYZZFUHDW-STQMWFEESA-N 2 0 228.380 1.685 20 0 BDADRP [NH3+]CC1CC[NH+](C[C@@H]2CCCC[C@H]2O)CC1 ZINC000328198440 364817015 /nfs/dbraw/zinc/81/70/15/364817015.db2.gz RGDTZKNYUKMSPH-QWHCGFSZSA-N 2 0 226.364 1.208 20 0 BDADRP CC[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccn(C)n1 ZINC000573593287 364869944 /nfs/dbraw/zinc/86/99/44/364869944.db2.gz RUDNZOCSFBYSMT-GFCCVEGCSA-N 2 0 236.363 1.460 20 0 BDADRP [NH3+][C@@H]1CCCc2cn(CCC3CC[NH2+]CC3)nc21 ZINC000573833873 364926499 /nfs/dbraw/zinc/92/64/99/364926499.db2.gz HMMLAAUEBJBQAM-CYBMUJFWSA-N 2 0 248.374 1.609 20 0 BDADRP C(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)[C@@H]1CC[NH2+]C1 ZINC000335007728 541419193 /nfs/dbraw/zinc/41/91/93/541419193.db2.gz IQOXLROMUQNURM-UONOGXRCSA-N 3 0 237.391 1.062 20 0 BDADRP C[C@H]1CC[NH2+]C[C@@H]1NCc1ccc(C[NH3+])cc1 ZINC000574040573 364973615 /nfs/dbraw/zinc/97/36/15/364973615.db2.gz OORIXURZDLHDKY-FZMZJTMJSA-N 2 0 233.359 1.233 20 0 BDADRP CC[NH2+]CCCN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000574069896 364981453 /nfs/dbraw/zinc/98/14/53/364981453.db2.gz AZGBVNOVXQKRQN-KBPBESRZSA-N 2 0 241.423 1.886 20 0 BDADRP CC1=CCN(CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000574339291 365041225 /nfs/dbraw/zinc/04/12/25/365041225.db2.gz OWCNBUKDWVTJKC-ZIAGYGMSSA-N 2 0 237.391 1.498 20 0 BDADRP CCn1cc(CN2CC[C@H]([NH3+])C[C@@H]2C)cn1 ZINC000168973959 365047136 /nfs/dbraw/zinc/04/71/36/365047136.db2.gz JDKKAKBUIVYGQG-JQWIXIFHSA-N 2 0 222.336 1.215 20 0 BDADRP CC[C@@H]([NH3+])CNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000574384428 365048143 /nfs/dbraw/zinc/04/81/43/365048143.db2.gz GNNUQXLRIJLSCI-CHWSQXEVSA-N 2 0 249.358 1.320 20 0 BDADRP C[C@H](CCC[NH3+])NC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000574451795 365064818 /nfs/dbraw/zinc/06/48/18/365064818.db2.gz MZSZPTDKNATGPL-GRYCIOLGSA-N 2 0 241.379 1.138 20 0 BDADRP C[C@H](CCC[NH3+])NC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000574451797 365065349 /nfs/dbraw/zinc/06/53/49/365065349.db2.gz MZSZPTDKNATGPL-UTUOFQBUSA-N 2 0 241.379 1.138 20 0 BDADRP CC[C@H](O)C[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000574567268 365090487 /nfs/dbraw/zinc/09/04/87/365090487.db2.gz ZFIZJCVZJXIVLD-NSHDSACASA-N 2 0 246.420 1.174 20 0 BDADRP [NH3+]CC[C@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000442928011 193005706 /nfs/dbraw/zinc/00/57/06/193005706.db2.gz PAWYIXSTWLJVJQ-OLZOCXBDSA-N 2 0 225.380 1.047 20 0 BDADRP CC[NH2+]Cc1cccc(NC(=O)[C@H]2CC[NH2+]2)c1 ZINC000444154001 193038087 /nfs/dbraw/zinc/03/80/87/193038087.db2.gz BEYNWXSZNMCIAC-GFCCVEGCSA-N 2 0 233.315 1.097 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1NCC[C@H]1CCC[NH2+]1 ZINC000579822988 367023305 /nfs/dbraw/zinc/02/33/05/367023305.db2.gz DKUZMFZWSVWZFG-UPJWGTAASA-N 3 0 225.380 1.378 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1NCC[C@H]1CCC[NH2+]1 ZINC000579822986 367024322 /nfs/dbraw/zinc/02/43/22/367024322.db2.gz DKUZMFZWSVWZFG-FRRDWIJNSA-N 3 0 225.380 1.378 20 0 BDADRP CC[N@H+](CCN[C@H]1CCC[C@H]([NH3+])C1)C(C)C ZINC000580963194 367220794 /nfs/dbraw/zinc/22/07/94/367220794.db2.gz OXYGDDSFEHQXJP-STQMWFEESA-N 2 0 227.396 1.576 20 0 BDADRP C[C@@H]1OCC[N@H+](CC[C@H]2CCC[NH2+]C2)[C@H]1C ZINC000380534397 367231513 /nfs/dbraw/zinc/23/15/13/367231513.db2.gz MXDOHBTWURBMOE-RWMBFGLXSA-N 2 0 226.364 1.485 20 0 BDADRP Cc1ccc(CC[NH2+][C@@H]2CCC[C@H]2C[NH3+])cn1 ZINC000581185352 367287391 /nfs/dbraw/zinc/28/73/91/367287391.db2.gz XCKJZDMSOQYMGU-UONOGXRCSA-N 2 0 233.359 1.650 20 0 BDADRP CC(C)C[C@@H]([NH3+])c1noc(CCC[NH3+])n1 ZINC000381408914 367396740 /nfs/dbraw/zinc/39/67/40/367396740.db2.gz SDPLSCYHIMFQCI-MRVPVSSYSA-N 2 0 212.297 1.007 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000195558596 367369061 /nfs/dbraw/zinc/36/90/61/367369061.db2.gz JAJJHFKDIIARNX-HTOAHKCRSA-N 2 0 238.375 1.242 20 0 BDADRP CN(C[C@@H](O)C[NH2+]CCCC1CC1)C1CC1 ZINC000381249308 367370367 /nfs/dbraw/zinc/37/03/67/367370367.db2.gz NYDNVPGYGBMXGR-ZDUSSCGKSA-N 2 0 226.364 1.221 20 0 BDADRP COC[C@H](C)C[NH2+]CCC[NH2+]C1CC1 ZINC000382550774 367532315 /nfs/dbraw/zinc/53/23/15/367532315.db2.gz UIQRMKMZLGXMMT-SNVBAGLBSA-N 2 0 200.326 1.001 20 0 BDADRP CN(C[C@H](O)C[NH2+]C[C@H]1CC=CCC1)C1CC1 ZINC000383497105 367629248 /nfs/dbraw/zinc/62/92/48/367629248.db2.gz DJGNJBXVVACBBG-GXTWGEPZSA-N 2 0 238.375 1.387 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000383402481 367619190 /nfs/dbraw/zinc/61/91/90/367619190.db2.gz PDYUPKCQRXAKHO-CRWXNKLISA-N 2 0 240.391 1.502 20 0 BDADRP C[C@@H]1CCC[C@H]1C[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000383613678 367644978 /nfs/dbraw/zinc/64/49/78/367644978.db2.gz TVXPOSGGZDYREU-MBNYWOFBSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@@H](C)NC1)C1CC[NH+](C)CC1 ZINC000399134457 367646265 /nfs/dbraw/zinc/64/62/65/367646265.db2.gz PTEXZKSQKCBLTE-DYEKYZERSA-N 2 0 239.407 1.447 20 0 BDADRP Cn1cncc1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000384584822 367703451 /nfs/dbraw/zinc/70/34/51/367703451.db2.gz UFGROKVLHAQAJL-JQWIXIFHSA-N 2 0 222.336 1.027 20 0 BDADRP CC[C@H]1[C@H](C)CC[N@@H+]1CCOCC[NH3+] ZINC000384048548 367669642 /nfs/dbraw/zinc/66/96/42/367669642.db2.gz RTCBXWCUYYTDLR-MNOVXSKESA-N 2 0 200.326 1.082 20 0 BDADRP C[C@H](CC(C)(C)C)[NH2+]CCOCC[NH+](C)C ZINC000384519297 367696349 /nfs/dbraw/zinc/69/63/49/367696349.db2.gz ATDMEBYMJRXYQK-GFCCVEGCSA-N 2 0 230.396 1.979 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000384854452 367744217 /nfs/dbraw/zinc/74/42/17/367744217.db2.gz GHICESIPIPCZDA-YNEHKIRRSA-N 2 0 228.380 1.874 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCSCC[C@@H]1C ZINC000385409387 367826367 /nfs/dbraw/zinc/82/63/67/367826367.db2.gz SWXFYMYJPRANSO-RYUDHWBXSA-N 2 0 246.420 1.126 20 0 BDADRP C[C@H]([NH2+]CCCn1cccn1)[C@@H]1CCCC[NH2+]1 ZINC000385942434 367887922 /nfs/dbraw/zinc/88/79/22/367887922.db2.gz BGEZNSVVPRXXIM-STQMWFEESA-N 2 0 236.363 1.393 20 0 BDADRP C[C@H](CN[C@@H](C)[C@@H]1CCCC[NH2+]1)[NH+](C)C ZINC000386574149 367993460 /nfs/dbraw/zinc/99/34/60/367993460.db2.gz MPWSUOVKIHZFRU-WOPDTQHZSA-N 2 0 213.369 1.057 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386592535 367999014 /nfs/dbraw/zinc/99/90/14/367999014.db2.gz RTIQGVUEINFNPF-AVGNSLFASA-N 2 0 228.380 1.515 20 0 BDADRP C[C@H](NC[C@H]1CCC[N@@H+]1C)[C@@H]1CCCC[NH2+]1 ZINC000386430092 367969630 /nfs/dbraw/zinc/96/96/30/367969630.db2.gz LFZCXGQSDWFIDM-XQQFMLRXSA-N 2 0 225.380 1.201 20 0 BDADRP C[NH2+]CCCN(C)C(=O)[C@H](CC(C)(C)C)[NH2+]C ZINC000387398694 368167367 /nfs/dbraw/zinc/16/73/67/368167367.db2.gz ADJBOYLDOMQRSZ-NSHDSACASA-N 2 0 243.395 1.079 20 0 BDADRP CC[NH+]1CCC(C[NH2+]C[C@@H]2CCCOC2)CC1 ZINC000104317295 368294075 /nfs/dbraw/zinc/29/40/75/368294075.db2.gz VSSSTIHNYUMNDP-AWEZNQCLSA-N 2 0 240.391 1.735 20 0 BDADRP CC(C)COCCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000086402409 368879623 /nfs/dbraw/zinc/87/96/23/368879623.db2.gz WLONOFSUKCPRSY-OLZOCXBDSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@H](Cn1ccnc1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000086403154 368879795 /nfs/dbraw/zinc/87/97/95/368879795.db2.gz VSTDPPHDIZVPOP-GRYCIOLGSA-N 2 0 222.336 1.131 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCc2nccs2)C1 ZINC000086404123 368880327 /nfs/dbraw/zinc/88/03/27/368880327.db2.gz MNWLDOWCVVUMAQ-UWVGGRQHSA-N 2 0 225.361 1.545 20 0 BDADRP CSCCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000086404303 368881435 /nfs/dbraw/zinc/88/14/35/368881435.db2.gz FFCQHCKSBDOJED-VHSXEESVSA-N 2 0 202.367 1.599 20 0 BDADRP CC[NH+]1CCC(C[NH2+]CC2(O)CCCC2)CC1 ZINC000087459907 368894044 /nfs/dbraw/zinc/89/40/44/368894044.db2.gz DDSLZYLSRNXDMG-UHFFFAOYSA-N 2 0 240.391 1.613 20 0 BDADRP Cc1cccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000084221383 368850892 /nfs/dbraw/zinc/85/08/92/368850892.db2.gz CYTHITXDDPYERM-YPMHNXCESA-N 2 0 219.332 1.607 20 0 BDADRP Cc1cc(CNC[C@H]2CCC[N@H+](C)C2)n(C)n1 ZINC000089183519 368938810 /nfs/dbraw/zinc/93/88/10/368938810.db2.gz HYCOHVFTEFDLTH-GFCCVEGCSA-N 2 0 236.363 1.160 20 0 BDADRP COC[C@H](C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623656965 368997408 /nfs/dbraw/zinc/99/74/08/368997408.db2.gz GZCQFSISQPKPLW-NWDGAFQWSA-N 2 0 214.353 1.343 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000631830133 369007253 /nfs/dbraw/zinc/00/72/53/369007253.db2.gz KUCAIUNIYUAUTO-XDQVBPFNSA-N 2 0 238.375 1.343 20 0 BDADRP [NH3+][C@H]1CCCCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000631831779 369015254 /nfs/dbraw/zinc/01/52/54/369015254.db2.gz ONLKGKSNIGLPMT-STQMWFEESA-N 2 0 225.380 1.189 20 0 BDADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000155246347 326189963 /nfs/dbraw/zinc/18/99/63/326189963.db2.gz ZMMVEMSHDVWMIW-WOPDTQHZSA-N 2 0 243.395 1.192 20 0 BDADRP Cc1cc(C)cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000107574346 369353915 /nfs/dbraw/zinc/35/39/15/369353915.db2.gz JLMGPZNSHQDMJR-HUUCEWRRSA-N 2 0 230.355 1.955 20 0 BDADRP COC(=O)CCC[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404397471 369427958 /nfs/dbraw/zinc/42/79/58/369427958.db2.gz PKUFRTQSBVFXPM-RYUDHWBXSA-N 2 0 242.363 1.389 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCCOCC2)C1 ZINC000459725012 203341891 /nfs/dbraw/zinc/34/18/91/203341891.db2.gz AWJXLIWBAVECNP-KGLIPLIRSA-N 2 0 240.391 1.877 20 0 BDADRP Cn1ccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000459733575 203343924 /nfs/dbraw/zinc/34/39/24/203343924.db2.gz NWOFNMATPGDHIE-ZDUSSCGKSA-N 2 0 235.375 1.847 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cc[nH]c2)C1 ZINC000459732817 203345933 /nfs/dbraw/zinc/34/59/33/203345933.db2.gz NBFATLXYFBUYHI-GFCCVEGCSA-N 2 0 221.348 1.836 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)CCO1 ZINC000459736636 203347863 /nfs/dbraw/zinc/34/78/63/203347863.db2.gz QCSREBZNIGJZRA-MCIONIFRSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]1C[C@@H]([NH3+])CN1CCC[NH+]1CCCCC1 ZINC000631862218 369486638 /nfs/dbraw/zinc/48/66/38/369486638.db2.gz NFJNLPJFLTYEMC-QWHCGFSZSA-N 2 0 225.380 1.284 20 0 BDADRP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631030298 370961929 /nfs/dbraw/zinc/96/19/29/370961929.db2.gz QFWLCUHPQLLUGD-UHFFFAOYSA-N 2 0 237.347 1.465 20 0 BDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)C1CC1 ZINC000165305454 203382761 /nfs/dbraw/zinc/38/27/61/203382761.db2.gz SJQUJMFLEGTENF-NEPJUHHUSA-N 2 0 225.380 1.010 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000261757793 181484964 /nfs/dbraw/zinc/48/49/64/181484964.db2.gz JLDULNFHUGWWPU-DGCLKSJQSA-N 2 0 247.342 1.459 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCOC1 ZINC000459794888 203370614 /nfs/dbraw/zinc/37/06/14/203370614.db2.gz UVRQVLFAZZZKNE-MELADBBJSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H](C[C@H]1COCCN1)[NH2+][C@@H](C)C1CC1 ZINC000166099283 203388177 /nfs/dbraw/zinc/38/81/77/203388177.db2.gz WIYXCEPVNLERJG-NHCYSSNCSA-N 2 0 212.337 1.142 20 0 BDADRP COCC1(CC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000567893747 326278284 /nfs/dbraw/zinc/27/82/84/326278284.db2.gz TVBGNXKSBMZZJH-CHWSQXEVSA-N 2 0 240.391 1.910 20 0 BDADRP CC(C)C[C@H](C)C[NH+]1CCC([NH2+]CCO)CC1 ZINC000631862746 369583941 /nfs/dbraw/zinc/58/39/41/369583941.db2.gz MYKNNNYSECCMJB-ZDUSSCGKSA-N 2 0 242.407 1.715 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000567925222 326284267 /nfs/dbraw/zinc/28/42/67/326284267.db2.gz GFUPKAUBUADJBY-DCAQKATOSA-N 2 0 241.379 1.007 20 0 BDADRP CSCC[C@@H](C)[N@H+](C)C[C@H]1CNCCO1 ZINC000253080254 370147542 /nfs/dbraw/zinc/14/75/42/370147542.db2.gz VHVWSPREWZSXEJ-GHMZBOCLSA-N 2 0 232.393 1.048 20 0 BDADRP CCn1cc(CC[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cn1 ZINC000621774419 370519693 /nfs/dbraw/zinc/51/96/93/370519693.db2.gz SVERGSYBRVRYMZ-YPMHNXCESA-N 2 0 236.363 1.115 20 0 BDADRP CCn1nccc1CC[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000621774668 370521393 /nfs/dbraw/zinc/52/13/93/370521393.db2.gz ZWJULQJOVJFNLR-YPMHNXCESA-N 2 0 236.363 1.115 20 0 BDADRP CCn1nccc1CC[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000621774927 370521422 /nfs/dbraw/zinc/52/14/22/370521422.db2.gz AKXITLUIAXCIIR-NWDGAFQWSA-N 2 0 236.363 1.115 20 0 BDADRP CCn1cc(CCN2CC[C@H]3CC[NH2+][C@@H]3C2)cn1 ZINC000621776825 370526258 /nfs/dbraw/zinc/52/62/58/370526258.db2.gz XJGACAYWXWRQMG-ZIAGYGMSSA-N 2 0 248.374 1.129 20 0 BDADRP [NH3+][C@]12CCC[C@@H]1C[N@H+](CCC1CC[NH2+]CC1)C2 ZINC000621781413 370530407 /nfs/dbraw/zinc/53/04/07/370530407.db2.gz DQOVXESFPVHOOA-KGLIPLIRSA-N 3 0 237.391 1.189 20 0 BDADRP CC[NH+]1CCC([NH2+]CC[C@@H](O)C(F)F)CC1 ZINC000631699082 371052529 /nfs/dbraw/zinc/05/25/29/371052529.db2.gz XXXTXJOIMBUALK-SNVBAGLBSA-N 2 0 236.306 1.076 20 0 BDADRP CO[C@H]1C[C@H]([NH2+][C@H]2C[C@@H](C)N(C3CC3)C2)C1 ZINC000623808273 371103898 /nfs/dbraw/zinc/10/38/98/371103898.db2.gz KMTJSXRSVVWGRR-HNCHTBHHSA-N 2 0 224.348 1.379 20 0 BDADRP C[C@H](C[NH2+]CC1(O)CCC1)C[NH+]1CCCC1 ZINC000568991040 326385179 /nfs/dbraw/zinc/38/51/79/326385179.db2.gz IGMOLDRQDWHFLS-GFCCVEGCSA-N 2 0 226.364 1.223 20 0 BDADRP C[C@H]([NH2+][C@H]1CCn2ccnc2C1)[C@@H]1CCCCO1 ZINC000623964251 371201808 /nfs/dbraw/zinc/20/18/08/371201808.db2.gz AZZXYKGAWGEDPX-AVGNSLFASA-N 2 0 249.358 1.745 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCCO1)C[NH+](C)C ZINC000623988045 371220977 /nfs/dbraw/zinc/22/09/77/371220977.db2.gz XQSUCWFQJIASAI-AGIUHOORSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)[C@H]1CCCO1 ZINC000624122409 371322798 /nfs/dbraw/zinc/32/27/98/371322798.db2.gz QQXBFASUGHHXRZ-BFHYXJOUSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624122901 371324839 /nfs/dbraw/zinc/32/48/39/371324839.db2.gz AVLLPKVRGDJPOX-MCIONIFRSA-N 2 0 240.391 1.733 20 0 BDADRP CCO[C@@]1(C)C[C@H]1[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000624142674 371338561 /nfs/dbraw/zinc/33/85/61/371338561.db2.gz CHOPUWAPESIKKW-BNOWGMLFSA-N 2 0 240.391 1.874 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H](O)C2)[C@H](C)C1 ZINC000624218830 371406995 /nfs/dbraw/zinc/40/69/95/371406995.db2.gz CKMKAZWPJCMZFG-NDBYEHHHSA-N 2 0 226.364 1.077 20 0 BDADRP CC[N@@H+]1CC[C@@H](NC[C@@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000624268882 371451725 /nfs/dbraw/zinc/45/17/25/371451725.db2.gz JOZOLLDQHBAEDZ-MELADBBJSA-N 2 0 239.407 1.401 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H]2C[C@@H](OC)C2)[C@@H](C)C1 ZINC000624309600 371471849 /nfs/dbraw/zinc/47/18/49/371471849.db2.gz RSMXPCCUVOPGBK-IGQOVBAYSA-N 2 0 240.391 1.731 20 0 BDADRP C[NH2+]CCCN1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000631894017 371598129 /nfs/dbraw/zinc/59/81/29/371598129.db2.gz IAJLUIQSCIKAOF-GFCCVEGCSA-N 2 0 233.359 1.234 20 0 BDADRP COC[C@@H](C)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000227078443 371781292 /nfs/dbraw/zinc/78/12/92/371781292.db2.gz AJZQGRAXMFGCOQ-NEPJUHHUSA-N 2 0 214.353 1.484 20 0 BDADRP COC[C@@H](C)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000521858264 259553668 /nfs/dbraw/zinc/55/36/68/259553668.db2.gz VKQRUWJZZXUQJN-NSHDSACASA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000631823867 372601998 /nfs/dbraw/zinc/60/19/98/372601998.db2.gz PMOQNGJMNMKDAO-YNEHKIRRSA-N 2 0 224.348 1.097 20 0 BDADRP C[NH2+]CCC1CC[NH+](C[C@H]2CCO[C@H]2C)CC1 ZINC000631824058 372602143 /nfs/dbraw/zinc/60/21/43/372602143.db2.gz VBQLKKPIVNWIDG-GXTWGEPZSA-N 2 0 240.391 1.733 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H]2CCO[C@H]2C)C1 ZINC000631821373 372594991 /nfs/dbraw/zinc/59/49/91/372594991.db2.gz WJROGGZVZZHCAB-AVGNSLFASA-N 2 0 226.364 1.343 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000631822041 372597108 /nfs/dbraw/zinc/59/71/08/372597108.db2.gz RCKGMUIHXMMRKK-QWRGUYRKSA-N 2 0 214.353 1.328 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000631823366 372600059 /nfs/dbraw/zinc/60/00/59/372600059.db2.gz CKJNWRULJVDYQC-ZUWCUPBKSA-N 2 0 238.375 1.471 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000631829636 372611202 /nfs/dbraw/zinc/61/12/02/372611202.db2.gz WNSIVSKVZWOFPN-CRWXNKLISA-N 2 0 238.375 1.472 20 0 BDADRP CCN(CC[NH3+])Cc1cccc2c1CCOC2 ZINC000631829921 372613359 /nfs/dbraw/zinc/61/33/59/372613359.db2.gz DPIAYSQWNRWCQG-UHFFFAOYSA-N 2 0 234.343 1.540 20 0 BDADRP Cc1ncc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)s1 ZINC000631838428 372630769 /nfs/dbraw/zinc/63/07/69/372630769.db2.gz OAIUVJNHVBPYEO-WCBMZHEXSA-N 2 0 225.361 1.478 20 0 BDADRP C[C@@H]1C[N@H+](CCCCCF)C[C@H]1C[NH3+] ZINC000631838482 372631976 /nfs/dbraw/zinc/63/19/76/372631976.db2.gz PFPMQWALAUBUAM-GHMZBOCLSA-N 2 0 202.317 1.653 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@H]1C[NH3+] ZINC000631838635 372633858 /nfs/dbraw/zinc/63/38/58/372633858.db2.gz RXFUTSRGOYQZLY-UTUOFQBUSA-N 2 0 212.337 1.082 20 0 BDADRP Cc1nccnc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000631825293 372604348 /nfs/dbraw/zinc/60/43/48/372604348.db2.gz DXZDDGYUMBIBEZ-GFCCVEGCSA-N 2 0 234.347 1.346 20 0 BDADRP FC(F)[C@@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000631866180 372666953 /nfs/dbraw/zinc/66/69/53/372666953.db2.gz UWQPDUWVMNFGTL-QWRGUYRKSA-N 2 0 248.317 1.342 20 0 BDADRP FCCCCC[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631867315 372669859 /nfs/dbraw/zinc/66/98/59/372669859.db2.gz PREXJJREZWEGIC-NEPJUHHUSA-N 2 0 214.328 1.858 20 0 BDADRP CC(C)OCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631887271 372682169 /nfs/dbraw/zinc/68/21/69/372682169.db2.gz PQJOQTVNIPVNKE-STQMWFEESA-N 2 0 226.364 1.485 20 0 BDADRP Cc1ccc(NC(=O)N2C[C@H]([NH3+])C[C@@H]2C)c(C)n1 ZINC000632920228 373220173 /nfs/dbraw/zinc/22/01/73/373220173.db2.gz USDLCLVDUOGQOU-GXSJLCMTSA-N 2 0 248.330 1.652 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CC12CC2 ZINC000424328847 206037650 /nfs/dbraw/zinc/03/76/50/206037650.db2.gz RACFKRABAYWVRL-KKOKHZNYSA-N 2 0 208.349 1.857 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])[C@H]1CCCOC1 ZINC000424381733 206038520 /nfs/dbraw/zinc/03/85/20/206038520.db2.gz ZMJBJZDCKGOVCW-WUHRBBMRSA-N 2 0 226.364 1.661 20 0 BDADRP Cc1ccc(F)cc1C[NH2+][C@@H](C)CC[NH3+] ZINC000220518651 134309799 /nfs/dbraw/zinc/30/97/99/134309799.db2.gz YVUMIZVXXJVPGK-JTQLQIEISA-N 2 0 210.296 1.961 20 0 BDADRP CC(C)(C)C[N@H+](CCCO)CC1CC[NH2+]CC1 ZINC000178972472 134314087 /nfs/dbraw/zinc/31/40/87/134314087.db2.gz ZBCYZAUTZDPLJO-UHFFFAOYSA-N 2 0 242.407 1.717 20 0 BDADRP CCOCCC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000336681891 170374970 /nfs/dbraw/zinc/37/49/70/170374970.db2.gz RVBOSZYWRAPZQA-CYBMUJFWSA-N 2 0 226.364 1.441 20 0 BDADRP CCOCCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000336658812 170375353 /nfs/dbraw/zinc/37/53/53/170375353.db2.gz BFXSTWXBGJIGIW-VXGBXAGGSA-N 2 0 212.337 1.097 20 0 BDADRP CC(C)C[C@@H]1COCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000178972818 134314323 /nfs/dbraw/zinc/31/43/23/134314323.db2.gz GYZOKNVCVRMAQA-CQSZACIVSA-N 2 0 240.391 1.733 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)c1ccc(C[NH3+])cc1 ZINC000262407567 168963844 /nfs/dbraw/zinc/96/38/44/168963844.db2.gz BTSVBXSZGXQIRL-ZDUSSCGKSA-N 2 0 249.358 1.393 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)c1ccc(C[NH3+])cc1 ZINC000262407564 169002813 /nfs/dbraw/zinc/00/28/13/169002813.db2.gz BTSVBXSZGXQIRL-CYBMUJFWSA-N 2 0 249.358 1.393 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)NCCC[NH+](CC)CC ZINC000037619242 169006824 /nfs/dbraw/zinc/00/68/24/169006824.db2.gz NUSZFQFIQNNCER-LBPRGKRZSA-N 2 0 243.395 1.352 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000041680186 169006925 /nfs/dbraw/zinc/00/69/25/169006925.db2.gz JYERMPZODSGSJB-RYUDHWBXSA-N 2 0 243.395 1.350 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@@]1(CC)CCC[NH2+]1 ZINC000134369951 169002002 /nfs/dbraw/zinc/00/20/02/169002002.db2.gz DRDORNODFRBRII-DGCLKSJQSA-N 2 0 241.379 1.152 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000236921438 169002156 /nfs/dbraw/zinc/00/21/56/169002156.db2.gz KIAKXBUTGAOGOX-YPMHNXCESA-N 2 0 241.379 1.152 20 0 BDADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)C(C)C ZINC000356792030 169073465 /nfs/dbraw/zinc/07/34/65/169073465.db2.gz VWQGGAKKASEBHF-LBPRGKRZSA-N 2 0 243.395 1.173 20 0 BDADRP CCC[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000360621797 169086730 /nfs/dbraw/zinc/08/67/30/169086730.db2.gz RDTVIDSUUHNCMW-CQSZACIVSA-N 2 0 239.407 1.497 20 0 BDADRP CCC[N@H+](CC)CCNC(=O)[C@@H]([NH3+])[C@@H](C)CC ZINC000226407717 169120874 /nfs/dbraw/zinc/12/08/74/169120874.db2.gz CMYCJHVSJLNNTL-RYUDHWBXSA-N 2 0 243.395 1.208 20 0 BDADRP O[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)CC1 ZINC000339786661 183234501 /nfs/dbraw/zinc/23/45/01/183234501.db2.gz HOJJGUVNXMNARH-AWEZNQCLSA-N 2 0 240.391 1.709 20 0 BDADRP CCC[N@H+](CC)C[C@H](O)CN(C)C1CC1 ZINC000336667946 169130483 /nfs/dbraw/zinc/13/04/83/169130483.db2.gz DXMAAIPTMBFASI-GFCCVEGCSA-N 2 0 214.353 1.173 20 0 BDADRP CCC[N@H+](CCN1CC[NH2+]CC1)CC1CC1 ZINC000042317849 169159711 /nfs/dbraw/zinc/15/97/11/169159711.db2.gz TZQSPYBPONJJRF-UHFFFAOYSA-N 2 0 225.380 1.014 20 0 BDADRP CCC[N@H+](CCOC)C1CC[NH2+]CC1 ZINC000037653866 169169331 /nfs/dbraw/zinc/16/93/31/169169331.db2.gz UBJLSTZPRDLKIF-UHFFFAOYSA-N 2 0 200.326 1.097 20 0 BDADRP CCC[NH+]1CCC(C[NH2+]CC2(C)COC2)CC1 ZINC000352752812 169186433 /nfs/dbraw/zinc/18/64/33/169186433.db2.gz ZCOLATVGJIMZLO-UHFFFAOYSA-N 2 0 240.391 1.735 20 0 BDADRP CCC[NH+]1CCC(N(C)C(=O)[C@@H]([NH3+])CC)CC1 ZINC000038100782 169187508 /nfs/dbraw/zinc/18/75/08/169187508.db2.gz KHEAJRFUUMAUPJ-LBPRGKRZSA-N 2 0 241.379 1.057 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@@H](C)COC)CC1 ZINC000045655949 169188487 /nfs/dbraw/zinc/18/84/87/169188487.db2.gz ZGARARWIRCAPIL-GFCCVEGCSA-N 2 0 228.380 1.733 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H](C)CCOC)CC1 ZINC000045018748 169189864 /nfs/dbraw/zinc/18/98/64/169189864.db2.gz HGTWGWCESQKVDJ-LBPRGKRZSA-N 2 0 228.380 1.875 20 0 BDADRP c1c[nH]c([C@H]2CCC[N@H+]2CC2CC[NH2+]CC2)n1 ZINC000336285707 183328207 /nfs/dbraw/zinc/32/82/07/183328207.db2.gz WSJNSFGDJPHRRV-GFCCVEGCSA-N 2 0 234.347 1.546 20 0 BDADRP CCC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000109754424 169203001 /nfs/dbraw/zinc/20/30/01/169203001.db2.gz TYFGSDMLIVLEHZ-CQSZACIVSA-N 2 0 239.407 1.498 20 0 BDADRP c1cc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)ccn1 ZINC000250197610 183337576 /nfs/dbraw/zinc/33/75/76/183337576.db2.gz ZBIOELPCFAJBEO-GJZGRUSLSA-N 2 0 245.370 1.841 20 0 BDADRP c1cc(CC[NH2+]C2CC[NH2+]CC2)cs1 ZINC000042600208 183338110 /nfs/dbraw/zinc/33/81/10/183338110.db2.gz RBMCDYAELXWGAV-UHFFFAOYSA-N 2 0 210.346 1.632 20 0 BDADRP c1cc2c(c(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)c1)NCC2 ZINC000359457370 183365532 /nfs/dbraw/zinc/36/55/32/183365532.db2.gz NBPFWVMZORYGFI-OKILXGFUSA-N 2 0 243.354 1.306 20 0 BDADRP CCC[NH2+]CC[NH2+]C[C@H]1CCSC1 ZINC000161349850 169259361 /nfs/dbraw/zinc/25/93/61/169259361.db2.gz QBEWGBMVRQTICD-SNVBAGLBSA-N 2 0 202.367 1.329 20 0 BDADRP c1ccc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)nc1 ZINC000250248401 183395084 /nfs/dbraw/zinc/39/50/84/183395084.db2.gz NHUGJRHRYWUHQN-CABCVRRESA-N 2 0 245.370 1.841 20 0 BDADRP CCC[C@@H](C)[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000308989017 169370151 /nfs/dbraw/zinc/37/01/51/169370151.db2.gz VJWUMXPAILWUPA-VXGBXAGGSA-N 2 0 214.353 1.533 20 0 BDADRP CCC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000236945529 169389701 /nfs/dbraw/zinc/38/97/01/169389701.db2.gz AXOMRLMSFKEHPZ-NWDGAFQWSA-N 2 0 241.379 1.104 20 0 BDADRP CCC[C@@H]([NH3+])C(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000131646182 169392172 /nfs/dbraw/zinc/39/21/72/169392172.db2.gz QXKFWFFSDIOYKK-CYBMUJFWSA-N 2 0 249.358 1.862 20 0 BDADRP C([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCSC1 ZINC000224379486 134346419 /nfs/dbraw/zinc/34/64/19/134346419.db2.gz JBZZXYQOZYHBCX-RYUDHWBXSA-N 2 0 240.416 1.813 20 0 BDADRP CC(C)[N@H+](C)CCCNC1CC[NH+](C)CC1 ZINC000226312784 134360469 /nfs/dbraw/zinc/36/04/69/134360469.db2.gz DAKUZIHCRRSKAM-UHFFFAOYSA-N 2 0 227.396 1.401 20 0 BDADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000227498803 134381186 /nfs/dbraw/zinc/38/11/86/134381186.db2.gz ATPNUPKSMCLMFD-CHWSQXEVSA-N 2 0 240.391 1.733 20 0 BDADRP CO[C@@H](C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1)C1CC1 ZINC000400177320 383825336 /nfs/dbraw/zinc/82/53/36/383825336.db2.gz PRDQSMFVPOPECY-OCCSQVGLSA-N 2 0 240.391 1.731 20 0 BDADRP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@@H](C)[NH+](C)C ZINC000449331745 383877706 /nfs/dbraw/zinc/87/77/06/383877706.db2.gz APPIRZNNMXJWOL-YPMHNXCESA-N 2 0 249.358 1.061 20 0 BDADRP C[NH2+]CCCN1CC[NH+](C2CCCC2)CC1 ZINC000052062956 134384821 /nfs/dbraw/zinc/38/48/21/134384821.db2.gz RNCFDFHNKDTXQK-UHFFFAOYSA-N 2 0 225.380 1.156 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@@H](COC)OC)CC1 ZINC000227712439 134384831 /nfs/dbraw/zinc/38/48/31/134384831.db2.gz BFAPTIXUTRAWBS-ZDUSSCGKSA-N 2 0 244.379 1.112 20 0 BDADRP CO[C@H](C[NH2+]CC1=CC[N@H+](C)CC1)C1CC1 ZINC000400229015 383927101 /nfs/dbraw/zinc/92/71/01/383927101.db2.gz QULBIOYJTOIEIY-CYBMUJFWSA-N 2 0 224.348 1.263 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H](CC)[C@H](O)CC)CC1 ZINC000313116992 383901161 /nfs/dbraw/zinc/90/11/61/383901161.db2.gz QVNDYGQQLRRZJD-ZIAGYGMSSA-N 2 0 242.407 2.000 20 0 BDADRP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000643542534 383979094 /nfs/dbraw/zinc/97/90/94/383979094.db2.gz VBQZDQYLXZRHEP-AGIUHOORSA-N 2 0 226.364 1.533 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)C1 ZINC000643542753 383984387 /nfs/dbraw/zinc/98/43/87/383984387.db2.gz UHCSRYMSYGYQCL-WUHRBBMRSA-N 2 0 226.364 1.661 20 0 BDADRP CC[N@H+](CCNCc1ncc[nH]1)C(C)C ZINC000067696742 384017579 /nfs/dbraw/zinc/01/75/79/384017579.db2.gz QGHLIAIPZOSPLJ-UHFFFAOYSA-N 2 0 210.325 1.230 20 0 BDADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH3+] ZINC000307243036 384012825 /nfs/dbraw/zinc/01/28/25/384012825.db2.gz JBNYOYGGGFPKPS-ZIAGYGMSSA-N 2 0 234.343 1.482 20 0 BDADRP CC[C@H](C)[C@](C)(O)C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000305123180 384014890 /nfs/dbraw/zinc/01/48/90/384014890.db2.gz KGHWGXXFLOSPLK-XDQVBPFNSA-N 2 0 242.407 1.713 20 0 BDADRP CO[C@H](C)C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000223896416 384050077 /nfs/dbraw/zinc/05/00/77/384050077.db2.gz VBSACFWNWZXJHX-WQAKAFBOSA-N 2 0 220.316 1.756 20 0 BDADRP CCC[NH2+]CCNC(=O)[C@H](CC(C)(C)C)[NH2+]C ZINC000449370145 384031008 /nfs/dbraw/zinc/03/10/08/384031008.db2.gz IROJASJTLHFDHU-NSHDSACASA-N 2 0 243.395 1.126 20 0 BDADRP C[C@@H](N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@H]1CCC[NH2+]1 ZINC000643547387 384033871 /nfs/dbraw/zinc/03/38/71/384033871.db2.gz DRJBCCQSILELPE-JHJVBQTASA-N 2 0 237.391 1.391 20 0 BDADRP COCCCC[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397326259 384084267 /nfs/dbraw/zinc/08/42/67/384084267.db2.gz ORZUOLYBNOORSX-XQQFMLRXSA-N 2 0 228.380 1.718 20 0 BDADRP Cc1cccc2ncc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])n21 ZINC000564973703 384056227 /nfs/dbraw/zinc/05/62/27/384056227.db2.gz ONYVUQUHERTBJJ-MNOVXSKESA-N 2 0 246.358 1.858 20 0 BDADRP CC[C@@H](C[N@@H+]1CCC[C@@H](n2ccnc2)C1)OC ZINC000642685202 384062006 /nfs/dbraw/zinc/06/20/06/384062006.db2.gz IZDQFPLGAPNTTR-OLZOCXBDSA-N 2 0 237.347 1.945 20 0 BDADRP [NH3+][C@H](CC(=O)N1CCC([NH3+])CC1)c1ccccc1 ZINC000569455530 384063061 /nfs/dbraw/zinc/06/30/61/384063061.db2.gz JWQRYHWOIUMACO-CYBMUJFWSA-N 2 0 247.342 1.026 20 0 BDADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]CCC[NH+](C)C ZINC000309448239 384072745 /nfs/dbraw/zinc/07/27/45/384072745.db2.gz KJSYNXCXORNAFI-STQMWFEESA-N 2 0 228.380 1.733 20 0 BDADRP CCOC[C@@H]1CCC[C@H]1[NH2+]CCC[NH+](C)C ZINC000309448238 384073034 /nfs/dbraw/zinc/07/30/34/384073034.db2.gz KJSYNXCXORNAFI-QWHCGFSZSA-N 2 0 228.380 1.733 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)CO1 ZINC000647219011 384073427 /nfs/dbraw/zinc/07/34/27/384073427.db2.gz YYJFUJFOEFZWGC-GMKTYKIGSA-N 2 0 226.364 1.626 20 0 BDADRP COCC1([NH2+]C[C@@H]([NH3+])CC(C)C)CCCC1 ZINC000569473380 384100258 /nfs/dbraw/zinc/10/02/58/384100258.db2.gz YIBBKKDYXCOAKN-LBPRGKRZSA-N 2 0 228.380 1.909 20 0 BDADRP CC[C@@H]([NH2+]C[C@H]1CCCN1CCCO)C(C)C ZINC000449384485 384126779 /nfs/dbraw/zinc/12/67/79/384126779.db2.gz BIJDJLLOPDGPMH-ZIAGYGMSSA-N 2 0 242.407 1.857 20 0 BDADRP Cc1ccc(C[N@H+](C)CCOCC[NH3+])cc1C ZINC000302286611 384131741 /nfs/dbraw/zinc/13/17/41/384131741.db2.gz CGDHRMTWXLHZMZ-UHFFFAOYSA-N 2 0 236.359 1.711 20 0 BDADRP CCOC[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000313250735 384153657 /nfs/dbraw/zinc/15/36/57/384153657.db2.gz SWKHRQJCLCCVFD-KBPBESRZSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCc2cn(C)cn2)CN1C1CC1 ZINC000313253432 384164115 /nfs/dbraw/zinc/16/41/15/384164115.db2.gz QKNBSZGKQNJTAH-DGCLKSJQSA-N 2 0 248.374 1.177 20 0 BDADRP CCOC[C@@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000313265894 384183849 /nfs/dbraw/zinc/18/38/49/384183849.db2.gz MXQYDALODUCJEV-AWEZNQCLSA-N 2 0 240.391 1.877 20 0 BDADRP [NH3+][C@H](CC(=O)N1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000163270572 384202829 /nfs/dbraw/zinc/20/28/29/384202829.db2.gz CJXRTIFHCLHORG-QWHCGFSZSA-N 2 0 247.342 1.026 20 0 BDADRP Cn1cncc1CC[NH2+][C@H]1CCOC(C)(C)C1 ZINC000401874189 384186691 /nfs/dbraw/zinc/18/66/91/384186691.db2.gz MJQOTGKXNKWGEW-NSHDSACASA-N 2 0 237.347 1.510 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000082474636 384232017 /nfs/dbraw/zinc/23/20/17/384232017.db2.gz SNBGEDUISMYCSL-WDEREUQCSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)CO1 ZINC000401881361 384212827 /nfs/dbraw/zinc/21/28/27/384212827.db2.gz IDSQHTUEZUIYPT-PWSUYJOCSA-N 2 0 212.337 1.095 20 0 BDADRP C[C@@H](C(=O)NCCCC[NH3+])[NH+]1CCCCCC1 ZINC000237469259 384220156 /nfs/dbraw/zinc/22/01/56/384220156.db2.gz VYIWYJIDZXCVJW-LBPRGKRZSA-N 2 0 241.379 1.106 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)CO1 ZINC000401903757 384249699 /nfs/dbraw/zinc/24/96/99/384249699.db2.gz SFBUIIVWPOJFIH-VXGBXAGGSA-N 2 0 226.364 1.485 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCc3cccnc3)C[C@H]21 ZINC000228472017 384257384 /nfs/dbraw/zinc/25/73/84/384257384.db2.gz ZEBXEIIFILXLPY-RRFJBIMHSA-N 2 0 245.370 1.683 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000558726695 384263941 /nfs/dbraw/zinc/26/39/41/384263941.db2.gz GAPUTSJMFHFVNH-KGLIPLIRSA-N 2 0 242.407 1.811 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000558726694 384264610 /nfs/dbraw/zinc/26/46/10/384264610.db2.gz GAPUTSJMFHFVNH-KBPBESRZSA-N 2 0 242.407 1.811 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@H](C)CO)CC1 ZINC000083215413 384289045 /nfs/dbraw/zinc/28/90/45/384289045.db2.gz CLISUTWYYDTTRP-NSHDSACASA-N 2 0 214.353 1.079 20 0 BDADRP C[NH+](C)CCC[NH2+][C@H]1CCCOCC1 ZINC000083424501 384303033 /nfs/dbraw/zinc/30/30/33/384303033.db2.gz DUZNUGLSBHQWKH-NSHDSACASA-N 2 0 200.326 1.097 20 0 BDADRP CC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCCC[C@H]1CC ZINC000168928640 384353660 /nfs/dbraw/zinc/35/36/60/384353660.db2.gz JKKPCTSJCNICJL-NEPJUHHUSA-N 2 0 241.379 1.104 20 0 BDADRP CCC(C)(C)[C@@H](C)[NH2+]CCOCC[NH+](C)C ZINC000556455298 384395172 /nfs/dbraw/zinc/39/51/72/384395172.db2.gz NGMZKNBNOOICMK-GFCCVEGCSA-N 2 0 230.396 1.979 20 0 BDADRP CC(C)(O)C(C)(C)C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000393598565 384404392 /nfs/dbraw/zinc/40/43/92/384404392.db2.gz MCPIGECDUNHEIU-GHMZBOCLSA-N 2 0 228.380 1.501 20 0 BDADRP Cc1cccc(C)c1C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000335626160 384404485 /nfs/dbraw/zinc/40/44/85/384404485.db2.gz PDHIGYVDSZAASR-UHFFFAOYSA-N 2 0 248.370 1.589 20 0 BDADRP CC(C)[NH+]1CCC(N[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000335644711 384417943 /nfs/dbraw/zinc/41/79/43/384417943.db2.gz YFWUMKIRWUEMGT-JSGCOSHPSA-N 2 0 239.407 1.589 20 0 BDADRP COC[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000397244985 384418268 /nfs/dbraw/zinc/41/82/68/384418268.db2.gz NHDQZMPLZGMIJT-JQWIXIFHSA-N 2 0 212.337 1.001 20 0 BDADRP c1[nH]nc2c1cccc2C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000560954281 384419857 /nfs/dbraw/zinc/41/98/57/384419857.db2.gz DOAVCUHJGZDADP-CYBMUJFWSA-N 2 0 244.342 1.795 20 0 BDADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CC1 ZINC000035732832 384422773 /nfs/dbraw/zinc/42/27/73/384422773.db2.gz BZTNFIYBOXWHDS-NSNUZPRRSA-N 2 0 208.349 2.000 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1NCc1nccs1 ZINC000084216415 384376689 /nfs/dbraw/zinc/37/66/89/384376689.db2.gz ROUSAOOXFRIRJD-VHSXEESVSA-N 2 0 225.361 1.750 20 0 BDADRP Cc1ncc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])s1 ZINC000084220470 384377657 /nfs/dbraw/zinc/37/76/57/384377657.db2.gz DSLMSISFLFEDPL-KOLCDFICSA-N 2 0 225.361 1.669 20 0 BDADRP C[NH+](C)CCCN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000084215634 384377715 /nfs/dbraw/zinc/37/77/15/384377715.db2.gz QGEXMVZPGGJRAZ-NEPJUHHUSA-N 3 0 213.369 1.045 20 0 BDADRP C[NH2+]C[C@H]1CCCN(c2cc[nH+]c(C)c2)C1 ZINC000229574383 384379550 /nfs/dbraw/zinc/37/95/50/384379550.db2.gz JLXODLLCPCYNMX-GFCCVEGCSA-N 2 0 219.332 1.826 20 0 BDADRP CC[C@H](O)C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000566105912 384451963 /nfs/dbraw/zinc/45/19/63/384451963.db2.gz AWRUXZJIHSGQCN-KGLIPLIRSA-N 2 0 242.407 1.859 20 0 BDADRP C[NH+]1CCC(CC[NH2+]Cc2cncs2)CC1 ZINC000122157643 384463715 /nfs/dbraw/zinc/46/37/15/384463715.db2.gz PYNLBCPYRCSEGF-UHFFFAOYSA-N 2 0 239.388 1.965 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CO[C@H](C)C2)C1 ZINC000647175052 384471449 /nfs/dbraw/zinc/47/14/49/384471449.db2.gz VULXZARSXZTNAU-JHJVBQTASA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@@H]2CCSC2)C1 ZINC000224622865 384480741 /nfs/dbraw/zinc/48/07/41/384480741.db2.gz GCSPEAWARRXHAX-DCAQKATOSA-N 2 0 214.378 1.409 20 0 BDADRP C[C@H](O)C[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000565593653 384487528 /nfs/dbraw/zinc/48/75/28/384487528.db2.gz JUUJXEJQHSKVIN-MJBXVCDLSA-N 2 0 242.407 1.715 20 0 BDADRP CC[C@@H](O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000151146316 384541897 /nfs/dbraw/zinc/54/18/97/384541897.db2.gz BQQRLVDZLLNOBY-UONOGXRCSA-N 2 0 240.391 1.708 20 0 BDADRP CC[N@H+](CC[C@@H]1CC[NH2+]C1)C[C@@H]1CCOC1 ZINC000643056838 384557950 /nfs/dbraw/zinc/55/79/50/384557950.db2.gz ZDBYVPUTSRMIOG-STQMWFEESA-N 2 0 226.364 1.344 20 0 BDADRP CC(C)OCCCN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428033709 384560397 /nfs/dbraw/zinc/56/03/97/384560397.db2.gz MTYLXNOYOXAAEM-OLZOCXBDSA-N 2 0 226.364 1.485 20 0 BDADRP CC[NH+]1CCC(CC[NH2+][C@H]2CO[C@H](C)C2)CC1 ZINC000647187033 384633547 /nfs/dbraw/zinc/63/35/47/384633547.db2.gz BIYNUPIYLFYSEI-TZMCWYRMSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H](CC1CCOCC1)[NH2+][C@@H](C)CN(C)C ZINC000309810411 384628945 /nfs/dbraw/zinc/62/89/45/384628945.db2.gz YVGLCPYFVOXBBN-NEPJUHHUSA-N 2 0 228.380 1.731 20 0 BDADRP CC[NH+](CC)CCCCNC(=O)[C@H](C)C[NH2+]C ZINC000236845142 384597434 /nfs/dbraw/zinc/59/74/34/384597434.db2.gz MIZJEXRZTFODFJ-GFCCVEGCSA-N 2 0 243.395 1.080 20 0 BDADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)C(C)C)CC1 ZINC000154247705 384598271 /nfs/dbraw/zinc/59/82/71/384598271.db2.gz UGMLXPVQODAJST-AWEZNQCLSA-N 2 0 241.423 1.648 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](Cc2cncn2C)C[C@@H]1C[NH3+] ZINC000397414458 384600046 /nfs/dbraw/zinc/60/00/46/384600046.db2.gz XILXWYUNYQLAMY-WOPDTQHZSA-N 2 0 236.363 1.225 20 0 BDADRP CC[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)OC ZINC000336658973 384676255 /nfs/dbraw/zinc/67/62/55/384676255.db2.gz BGUXYGXAKAMWSY-TUAOUCFPSA-N 2 0 214.353 1.341 20 0 BDADRP Cc1ccccc1[C@@H]1CN(CCC[NH3+])CCO1 ZINC000556942825 384672229 /nfs/dbraw/zinc/67/22/29/384672229.db2.gz GIOAWGNMAGQEQA-AWEZNQCLSA-N 2 0 234.343 1.717 20 0 BDADRP CCOC[C@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000086403772 384647861 /nfs/dbraw/zinc/64/78/61/384647861.db2.gz UVQUYAJAHVVLPX-DCAQKATOSA-N 2 0 200.326 1.271 20 0 BDADRP C[C@H](NC(=O)CC(C)(C)[NH3+])C(C)(C)C[NH+](C)C ZINC000178817749 384648614 /nfs/dbraw/zinc/64/86/14/384648614.db2.gz GKOKYESFWUTTEC-JTQLQIEISA-N 2 0 243.395 1.206 20 0 BDADRP CC(C)[N@H+](C[C@H](C)O)CC1CC[NH2+]CC1 ZINC000086703527 384677668 /nfs/dbraw/zinc/67/76/68/384677668.db2.gz AUWMOBUYOZAFGJ-NSHDSACASA-N 2 0 214.353 1.077 20 0 BDADRP c1nc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cs1 ZINC000108647967 384728266 /nfs/dbraw/zinc/72/82/66/384728266.db2.gz INWKNFMYXNJXCD-CMPLNLGQSA-N 2 0 237.372 1.860 20 0 BDADRP C[C@@H]1CCC[C@H]1[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000125898969 384717582 /nfs/dbraw/zinc/71/75/82/384717582.db2.gz HKDHITZTLOYGRT-UTUOFQBUSA-N 2 0 214.353 1.077 20 0 BDADRP C([NH2+][C@@H]1CC[C@H]1C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000423221234 384778437 /nfs/dbraw/zinc/77/84/37/384778437.db2.gz ZLCUXBNLKABNEC-KGYLQXTDSA-N 2 0 208.349 1.764 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](N[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000647546195 384729332 /nfs/dbraw/zinc/72/93/32/384729332.db2.gz DISIBYGPEAARIW-WUHRBBMRSA-N 2 0 225.380 1.092 20 0 BDADRP CCC([NH3+])(CC)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647546234 384730903 /nfs/dbraw/zinc/73/09/03/384730903.db2.gz GLDRAKBMGBRFKC-FRRDWIJNSA-N 3 0 239.407 1.482 20 0 BDADRP CCCC[C@H](CN)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647546750 384733918 /nfs/dbraw/zinc/73/39/18/384733918.db2.gz ZZVTWTYCLPRHCY-XJFOESAGSA-N 2 0 239.407 1.482 20 0 BDADRP C[C@@H]1CNC[C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)C1 ZINC000647547049 384736969 /nfs/dbraw/zinc/73/69/69/384736969.db2.gz LXTGMCMRJUYYLJ-RWMBFGLXSA-N 2 0 225.380 1.106 20 0 BDADRP C[C@@H]1CNC[C@@H]([NH2+]CCC[C@H]2CCC[NH2+]2)C1 ZINC000647547050 384737787 /nfs/dbraw/zinc/73/77/87/384737787.db2.gz LXTGMCMRJUYYLJ-XQQFMLRXSA-N 2 0 225.380 1.106 20 0 BDADRP C(C[C@H]1CC[NH2+]C1)[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000423238696 384779660 /nfs/dbraw/zinc/77/96/60/384779660.db2.gz AQZPPFSDDBEEGP-RAIGVLPGSA-N 2 0 208.349 1.764 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647552141 384756391 /nfs/dbraw/zinc/75/63/91/384756391.db2.gz HSDGJLKUXYTGKC-PJSNJIKXSA-N 3 0 225.380 1.090 20 0 BDADRP CC(C)[C@@H]([NH3+])CC(=O)NCc1ccc(C[NH3+])cc1 ZINC000648202402 384825234 /nfs/dbraw/zinc/82/52/34/384825234.db2.gz GSISNTSSCABRMD-ZDUSSCGKSA-N 2 0 249.358 1.135 20 0 BDADRP CC[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC000423359146 384832491 /nfs/dbraw/zinc/83/24/91/384832491.db2.gz CREXLOVQRNIDSU-NDBYEHHHSA-N 2 0 225.380 1.377 20 0 BDADRP CC[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC000423359147 384833947 /nfs/dbraw/zinc/83/39/47/384833947.db2.gz CREXLOVQRNIDSU-RNJOBUHISA-N 2 0 225.380 1.377 20 0 BDADRP C[NH+](C)CC1CC[NH+](CC(C)(C)O)CC1 ZINC000042396119 384789960 /nfs/dbraw/zinc/78/99/60/384789960.db2.gz NJTAGRNJEMPNPX-UHFFFAOYSA-N 2 0 214.353 1.031 20 0 BDADRP Cc1cc(N2CC[NH+](C3CC3)CC2)cc[nH+]1 ZINC000185951763 384792675 /nfs/dbraw/zinc/79/26/75/384792675.db2.gz SIBMUVSIGPBDMG-UHFFFAOYSA-N 2 0 217.316 1.674 20 0 BDADRP CCSCCN(C)[C@H](C[NH3+])C1CC1 ZINC000126716995 384792891 /nfs/dbraw/zinc/79/28/91/384792891.db2.gz UXFXGPXLWWQOKO-SNVBAGLBSA-N 2 0 202.367 1.409 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccnn1C ZINC000423361947 384836290 /nfs/dbraw/zinc/83/62/90/384836290.db2.gz HFMFGMGRVUXFPR-AXFHLTTASA-N 2 0 222.336 1.341 20 0 BDADRP COC[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)C1CC1 ZINC000398109095 384807681 /nfs/dbraw/zinc/80/76/81/384807681.db2.gz NJXSJLGKHSGVKQ-STQMWFEESA-N 2 0 226.364 1.391 20 0 BDADRP Cc1ccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)nc1 ZINC000163417652 384884346 /nfs/dbraw/zinc/88/43/46/384884346.db2.gz MHWZGAXTMRKIOR-QWHCGFSZSA-N 2 0 233.359 1.807 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCOCC(F)F ZINC000309816607 384854003 /nfs/dbraw/zinc/85/40/03/384854003.db2.gz VJORELOFYKOHML-UWVGGRQHSA-N 2 0 236.306 1.198 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCCOC(F)F ZINC000398240927 384863282 /nfs/dbraw/zinc/86/32/82/384863282.db2.gz WXGCJTBLOKTHRB-NXEZZACHSA-N 2 0 236.306 1.723 20 0 BDADRP COc1ccccc1CC[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000259075228 384950810 /nfs/dbraw/zinc/95/08/10/384950810.db2.gz QVHVCDKKPGGMCN-CHWSQXEVSA-N 2 0 234.343 1.707 20 0 BDADRP CCC[NH+](CCC)CCC[NH2+]C[C@@H](C)O ZINC000644543988 384953510 /nfs/dbraw/zinc/95/35/10/384953510.db2.gz KTYZQBVGRJRLHZ-GFCCVEGCSA-N 2 0 216.369 1.469 20 0 BDADRP CCC[NH+](CCC)CCC[NH2+][C@@H](C)[C@@H](C)O ZINC000644543966 384955109 /nfs/dbraw/zinc/95/51/09/384955109.db2.gz DSLJGZZMQDYFPS-QWHCGFSZSA-N 2 0 230.396 1.857 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCC[C@H]2[NH3+])C1 ZINC000259005217 384955766 /nfs/dbraw/zinc/95/57/66/384955766.db2.gz NJFJIADWZYUQDD-UPJWGTAASA-N 2 0 225.380 1.188 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]C2CCSCC2)C1 ZINC000220682713 384892081 /nfs/dbraw/zinc/89/20/81/384892081.db2.gz JARMPRHJBYAWJR-ONGXEEELSA-N 2 0 214.378 1.742 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCc1cccc(F)c1 ZINC000259026915 384958925 /nfs/dbraw/zinc/95/89/25/384958925.db2.gz OOSWRNXEAWWVHD-QWHCGFSZSA-N 2 0 222.307 1.838 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCc1ccc(F)cc1F ZINC000259203281 384959079 /nfs/dbraw/zinc/95/90/79/384959079.db2.gz WYMAVHBRJMYYDW-QWHCGFSZSA-N 2 0 240.297 1.977 20 0 BDADRP CC(C)[C@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000251354770 384916043 /nfs/dbraw/zinc/91/60/43/384916043.db2.gz CGECBUXDRCIOCS-STQMWFEESA-N 2 0 210.365 1.964 20 0 BDADRP c1cc(CCC[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)ccn1 ZINC000257651300 384920659 /nfs/dbraw/zinc/92/06/59/384920659.db2.gz DIIOZTDPGYVLFC-OAHLLOKOSA-N 2 0 245.370 1.700 20 0 BDADRP C[C@@H](O)C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000644568296 384965180 /nfs/dbraw/zinc/96/51/80/384965180.db2.gz HEMYRVIHBOBJDS-SNVBAGLBSA-N 2 0 240.322 1.358 20 0 BDADRP C[NH2+]C[C@H]1CCN(Cc2ccns2)C1 ZINC000404432864 384992056 /nfs/dbraw/zinc/99/20/56/384992056.db2.gz ADZGAQSJGJQKDB-SECBINFHSA-N 2 0 211.334 1.184 20 0 BDADRP CC[C@@H](CO)[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000086500767 385022298 /nfs/dbraw/zinc/02/22/98/385022298.db2.gz QTRHBJHFRCLFQJ-AVGNSLFASA-N 2 0 228.380 1.658 20 0 BDADRP CCc1nn(C)cc1C[NH2+][C@H](C)CCCC[NH3+] ZINC000310347575 384998023 /nfs/dbraw/zinc/99/80/23/384998023.db2.gz GJNPQBSFWTWREG-LLVKDONJSA-N 2 0 238.379 1.590 20 0 BDADRP C([NH2+][C@@H]1CC[C@H]1C1CC1)[C@H]1C[NH2+]CCCO1 ZINC000423491436 384998358 /nfs/dbraw/zinc/99/83/58/384998358.db2.gz JQYDPOXPUSZLQU-FRRDWIJNSA-N 2 0 224.348 1.143 20 0 BDADRP CCSCCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000300859093 384999396 /nfs/dbraw/zinc/99/93/96/384999396.db2.gz CFKRPGOMTFYIQR-GHMZBOCLSA-N 2 0 216.394 1.847 20 0 BDADRP COC1(CC[NH2+][C@H]2CN(C)C[C@H]2C)CCC1 ZINC000339444111 384999741 /nfs/dbraw/zinc/99/97/41/384999741.db2.gz DBSMRGXTOAOWLZ-NEPJUHHUSA-N 2 0 226.364 1.485 20 0 BDADRP COCC[C@H]1CCC[C@@H]1[NH2+]CCC[NH+](C)C ZINC000309987419 385002910 /nfs/dbraw/zinc/00/29/10/385002910.db2.gz YZALIBUMRICBAH-OLZOCXBDSA-N 2 0 228.380 1.733 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccns2)CC1 ZINC000404509345 385025343 /nfs/dbraw/zinc/02/53/43/385025343.db2.gz PAMPLQNMBGWRJQ-SECBINFHSA-N 2 0 225.361 1.702 20 0 BDADRP CC(C)C[C@H]([NH3+])c1noc(CC[C@H](C)[NH3+])n1 ZINC000647132996 385046422 /nfs/dbraw/zinc/04/64/22/385046422.db2.gz HPCWEINIWJXZFM-IUCAKERBSA-N 2 0 226.324 1.395 20 0 BDADRP Cc1c[nH+]ccc1N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000227049962 385085515 /nfs/dbraw/zinc/08/55/15/385085515.db2.gz URUCAJQXHXWWAV-NWDGAFQWSA-N 2 0 219.332 1.954 20 0 BDADRP CC(C)OCCC[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000404837644 385097870 /nfs/dbraw/zinc/09/78/70/385097870.db2.gz APWGEORPXGEIEA-QWRGUYRKSA-N 2 0 214.353 1.517 20 0 BDADRP C([NH2+][C@H]1CCCOCC1)[C@H]1CCC[NH2+]C1 ZINC000308811451 385182238 /nfs/dbraw/zinc/18/22/38/385182238.db2.gz COJDFTFJWPJSJH-RYUDHWBXSA-N 2 0 212.337 1.145 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCOCC(F)F ZINC000308815071 385185429 /nfs/dbraw/zinc/18/54/29/385185429.db2.gz IHGXIRHRMOFTPZ-SECBINFHSA-N 2 0 224.295 1.375 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC(C)(C)CCO)CC[N@@H+]1C ZINC000178161845 385194060 /nfs/dbraw/zinc/19/40/60/385194060.db2.gz DAJXDVBFFRSIQM-NWDGAFQWSA-N 2 0 228.380 1.467 20 0 BDADRP Cc1cncc(CN2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000189889885 385194868 /nfs/dbraw/zinc/19/48/68/385194868.db2.gz KWMYWEWHTXJGLA-ZDUSSCGKSA-N 2 0 233.359 1.774 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCOC2)CC1 ZINC000119750293 385196936 /nfs/dbraw/zinc/19/69/36/385196936.db2.gz VMMBPAFPZSAFEO-QWHCGFSZSA-N 2 0 240.391 1.874 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000305161627 385199949 /nfs/dbraw/zinc/19/99/49/385199949.db2.gz XFGFYVWIPYTKKR-FPMFFAJLSA-N 2 0 242.407 1.713 20 0 BDADRP COCCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157333946 385146204 /nfs/dbraw/zinc/14/62/04/385146204.db2.gz FIXMLAZIOWKCPC-CQSZACIVSA-N 2 0 240.391 1.973 20 0 BDADRP [NH3+]CC1(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)CC1 ZINC000647479755 385159651 /nfs/dbraw/zinc/15/96/51/385159651.db2.gz SPMVXSDKOGYGFA-QWHCGFSZSA-N 2 0 237.391 1.189 20 0 BDADRP CC[C@@H](O)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000643349709 385206235 /nfs/dbraw/zinc/20/62/35/385206235.db2.gz KQKMHIFOHNRPFM-HTAVTVPLSA-N 2 0 214.353 1.220 20 0 BDADRP [NH3+]Cc1ccc(NC[C@H]2CCC[NH2+]C2)cc1 ZINC000107796902 385212975 /nfs/dbraw/zinc/21/29/75/385212975.db2.gz WEFWXNXRBYVQOD-LBPRGKRZSA-N 2 0 219.332 1.557 20 0 BDADRP C[C@H](O)CC(C)(C)C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000305768827 385227352 /nfs/dbraw/zinc/22/73/52/385227352.db2.gz LEGUSHLHJSAAHZ-AGIUHOORSA-N 2 0 242.407 1.713 20 0 BDADRP CC(C)[C@](C)(O)C[NH2+][C@H](C)CCCC[NH3+] ZINC000308959859 385311715 /nfs/dbraw/zinc/31/17/15/385311715.db2.gz FRJLZIAYEYBEKR-VXGBXAGGSA-N 2 0 216.369 1.501 20 0 BDADRP C[NH+](C)CCc1ccc(NC(=O)CC[NH3+])cc1 ZINC000166743834 385277903 /nfs/dbraw/zinc/27/79/03/385277903.db2.gz SUPREHCMIIYBJH-UHFFFAOYSA-N 2 0 235.331 1.078 20 0 BDADRP C[C@@H](C[NH2+][C@H]1CCCOCC1)C[NH+](C)C ZINC000308915328 385280632 /nfs/dbraw/zinc/28/06/32/385280632.db2.gz NPXKQSSRVXGRLK-RYUDHWBXSA-N 2 0 214.353 1.343 20 0 BDADRP CC[C@H]1CN(CCC[NH2+]C)C[C@H](C)O1 ZINC000308909559 385285404 /nfs/dbraw/zinc/28/54/04/385285404.db2.gz SADKHUIBZZELBQ-QWRGUYRKSA-N 2 0 200.326 1.095 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1c1nc(C[C@@H](C)[NH2+]C)no1 ZINC000647142744 385294386 /nfs/dbraw/zinc/29/43/86/385294386.db2.gz BRIYTYGVPONFTE-BBBLOLIVSA-N 2 0 238.335 1.076 20 0 BDADRP CC(C)(O)CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157897512 385302059 /nfs/dbraw/zinc/30/20/59/385302059.db2.gz XGXUYAWSZFAZRK-NWDGAFQWSA-N 2 0 226.364 1.364 20 0 BDADRP CCC[C@H]([NH3+])C(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000131645985 385352277 /nfs/dbraw/zinc/35/22/77/385352277.db2.gz QXKFWFFSDIOYKK-ZDUSSCGKSA-N 2 0 249.358 1.862 20 0 BDADRP Cc1cc(N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)cc[nH+]1 ZINC000192796409 385372097 /nfs/dbraw/zinc/37/20/97/385372097.db2.gz LBDCLPIPRXHCAW-QWHCGFSZSA-N 2 0 249.358 1.281 20 0 BDADRP C[C@@H]([NH2+]CCc1cncn1C)c1cn[nH]c1 ZINC000280939648 385383398 /nfs/dbraw/zinc/38/33/98/385383398.db2.gz HTUQMQYTNGRXFC-SECBINFHSA-N 2 0 219.292 1.037 20 0 BDADRP C[C@H]([NH2+]CCc1cncn1C)c1cn[nH]c1 ZINC000280939653 385383848 /nfs/dbraw/zinc/38/38/48/385383848.db2.gz HTUQMQYTNGRXFC-VIFPVBQESA-N 2 0 219.292 1.037 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C[C@@H]2CC[NH2+]C2)cc1 ZINC000189906925 385325019 /nfs/dbraw/zinc/32/50/19/385325019.db2.gz IYXBEAHMUNNSSR-MNOVXSKESA-N 2 0 247.342 1.644 20 0 BDADRP C[N@H+]1CC=C(C[NH2+]C[C@@H]2CCSC2)CC1 ZINC000308971376 385327885 /nfs/dbraw/zinc/32/78/85/385327885.db2.gz ZQMGTDKZMHVNDP-LBPRGKRZSA-N 2 0 226.389 1.591 20 0 BDADRP Cc1ccc(NC(=O)[C@H](C)[NH3+])c(C[NH+](C)C)c1 ZINC000168924684 385392949 /nfs/dbraw/zinc/39/29/49/385392949.db2.gz NZHKBKLBDUMDHW-JTQLQIEISA-N 2 0 235.331 1.342 20 0 BDADRP CN(CCC[NH3+])C(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000644066960 385414969 /nfs/dbraw/zinc/41/49/69/385414969.db2.gz YFRMSBFSUXOLTH-LBPRGKRZSA-N 2 0 241.379 1.091 20 0 BDADRP CN(CCC[NH3+])C(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000644067434 385416469 /nfs/dbraw/zinc/41/64/69/385416469.db2.gz VENUPCPSAQKNBW-NEPJUHHUSA-N 2 0 241.379 1.091 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@H]2[NH2+]CC2(C)C)cc1 ZINC000644072850 385420562 /nfs/dbraw/zinc/42/05/62/385420562.db2.gz KCFJNPHOBMKFAM-JOYOIKCWSA-N 2 0 247.342 1.643 20 0 BDADRP CC[C@H]1C[N@H+](CC2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000647498838 385421435 /nfs/dbraw/zinc/42/14/35/385421435.db2.gz RVFXADAVONOKLM-QWHCGFSZSA-N 2 0 225.380 1.045 20 0 BDADRP CC[C@@H]1CN(Cc2ccc(N)nc2)CC[C@H]1[NH3+] ZINC000647498959 385423357 /nfs/dbraw/zinc/42/33/57/385423357.db2.gz UXDGBYKHROMTRH-VXGBXAGGSA-N 2 0 234.347 1.053 20 0 BDADRP CCCCN(C)CC[NH2+]CC1(C)COC1 ZINC000309164439 385445139 /nfs/dbraw/zinc/44/51/39/385445139.db2.gz IIOXSNDREUCQLL-UHFFFAOYSA-N 2 0 214.353 1.344 20 0 BDADRP [NH3+]CCCC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000518767240 385465767 /nfs/dbraw/zinc/46/57/67/385465767.db2.gz BCQXDEVCBYPJPX-UHFFFAOYSA-N 2 0 233.315 1.010 20 0 BDADRP COC(C)(C)C[NH2+]C1CCN(C2CC2)CC1 ZINC000309257868 385502011 /nfs/dbraw/zinc/50/20/11/385502011.db2.gz OPJDQFRIDIZXJJ-UHFFFAOYSA-N 2 0 226.364 1.628 20 0 BDADRP C[C@@H]1CN(c2cc(NC3CC3)ncn2)CC[C@H]1[NH3+] ZINC000643009778 385507013 /nfs/dbraw/zinc/50/70/13/385507013.db2.gz KSFHHRXFJDFMSQ-MWLCHTKSSA-N 2 0 247.346 1.224 20 0 BDADRP C[C@@H]1CN(c2cc(NC3CC3)ncn2)CC[C@@H]1[NH3+] ZINC000643009777 385507665 /nfs/dbraw/zinc/50/76/65/385507665.db2.gz KSFHHRXFJDFMSQ-KOLCDFICSA-N 2 0 247.346 1.224 20 0 BDADRP Cc1ccc(CCC[N@@H+](C)C[C@@H](C)O)cn1 ZINC000643356087 385531313 /nfs/dbraw/zinc/53/13/13/385531313.db2.gz MFLHCFOOJFYJPN-GFCCVEGCSA-N 2 0 222.332 1.635 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@](C)(CC)OC)C1 ZINC000319097776 385543043 /nfs/dbraw/zinc/54/30/43/385543043.db2.gz WAQQDGXQDHINTG-STQMWFEESA-N 2 0 228.380 1.733 20 0 BDADRP CC(C)C[C@H](CN(C)C)[NH2+][C@@H](C)CCC[NH3+] ZINC000309463468 385593743 /nfs/dbraw/zinc/59/37/43/385593743.db2.gz SGEQREQWDMSJSA-QWHCGFSZSA-N 2 0 229.412 1.680 20 0 BDADRP CCOCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000309429033 385578678 /nfs/dbraw/zinc/57/86/78/385578678.db2.gz FUFOIDBUOJGZKR-JHJVBQTASA-N 2 0 226.364 1.485 20 0 BDADRP CCOC[C@H]1CCC[C@@H]1[NH2+]CCC[NH+](C)C ZINC000309448237 385589031 /nfs/dbraw/zinc/58/90/31/385589031.db2.gz KJSYNXCXORNAFI-OLZOCXBDSA-N 2 0 228.380 1.733 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCSC1)[C@H]1CCC[NH2+]C1 ZINC000414849104 385616488 /nfs/dbraw/zinc/61/64/88/385616488.db2.gz HDDLHIHCJWVYKQ-SDDRHHMPSA-N 2 0 228.405 1.860 20 0 BDADRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]CC2(C)COC2)C1 ZINC000336678669 385616642 /nfs/dbraw/zinc/61/66/42/385616642.db2.gz BYQDXTXHYWMFDI-RYUDHWBXSA-N 2 0 226.364 1.485 20 0 BDADRP CS[C@H](C)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000308133937 385619788 /nfs/dbraw/zinc/61/97/88/385619788.db2.gz MMJKJABAYMTWNF-VHSXEESVSA-N 2 0 204.383 1.845 20 0 BDADRP FCCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000336680065 385626430 /nfs/dbraw/zinc/62/64/30/385626430.db2.gz IUDCCRMJPNSTKJ-NEPJUHHUSA-N 2 0 214.328 1.953 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000082645559 385627136 /nfs/dbraw/zinc/62/71/36/385627136.db2.gz ZOSDDKYYVJHOQR-YPMHNXCESA-N 2 0 219.332 1.641 20 0 BDADRP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cn1 ZINC000414850235 385633243 /nfs/dbraw/zinc/63/32/43/385633243.db2.gz IBJYTCHLLKSQKW-TZMCWYRMSA-N 2 0 233.359 1.868 20 0 BDADRP CC[NH+](CC)CCCN1CCC[N@H+](CC)CC1 ZINC000365192225 385633754 /nfs/dbraw/zinc/63/37/54/385633754.db2.gz PIQVCQAIFLFWER-UHFFFAOYSA-N 2 0 241.423 1.746 20 0 BDADRP Oc1cccc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c1 ZINC000414852912 385681577 /nfs/dbraw/zinc/68/15/77/385681577.db2.gz QXCPARPKGMPLLR-LBPRGKRZSA-N 2 0 234.343 1.872 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCCF ZINC000336685827 385693709 /nfs/dbraw/zinc/69/37/09/385693709.db2.gz LDERBPSCLZKDIB-QWRGUYRKSA-N 2 0 202.317 1.666 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+]CCCc1ccc(C)nc1 ZINC000414854489 385694923 /nfs/dbraw/zinc/69/49/23/385694923.db2.gz VBSFSYYARAQYNO-GFCCVEGCSA-N 2 0 235.375 1.768 20 0 BDADRP Cc1nn(C)cc1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414855497 385701608 /nfs/dbraw/zinc/70/16/08/385701608.db2.gz WTWDMYFNYWCCBW-LBPRGKRZSA-N 2 0 236.363 1.208 20 0 BDADRP CC(C)[C@@](C)(O)C[NH2+][C@H](C)CCC[NH3+] ZINC000336687128 385702718 /nfs/dbraw/zinc/70/27/18/385702718.db2.gz MIFFRIRJQHNLDM-MNOVXSKESA-N 2 0 202.342 1.110 20 0 BDADRP C[C@@H](CCC1CC1)[NH2+]CCOCC[NH+](C)C ZINC000309572903 385703270 /nfs/dbraw/zinc/70/32/70/385703270.db2.gz OCJOELWNGWCNJC-LBPRGKRZSA-N 2 0 228.380 1.733 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)C(=O)NC(C)(C)C ZINC000336687579 385705185 /nfs/dbraw/zinc/70/51/85/385705185.db2.gz GMWBTHSRNICHHQ-GHMZBOCLSA-N 2 0 243.395 1.397 20 0 BDADRP CCN1CC[C@@H]([NH2+]Cc2cccc3c[nH]nc32)C1 ZINC000414542497 385712144 /nfs/dbraw/zinc/71/21/44/385712144.db2.gz LEDLOACAEBQCOZ-CYBMUJFWSA-N 2 0 244.342 1.747 20 0 BDADRP C[NH2+]CCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000414857981 385729859 /nfs/dbraw/zinc/72/98/59/385729859.db2.gz GYWLIVGJJIWCIX-UPJWGTAASA-N 2 0 225.380 1.106 20 0 BDADRP Cc1cncc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647793801 385732566 /nfs/dbraw/zinc/73/25/66/385732566.db2.gz IROBEXOSXCEWHP-SOUVJXGZSA-N 2 0 245.370 1.868 20 0 BDADRP C[NH2+]Cc1ccccc1NCC1CC[NH2+]CC1 ZINC000414860542 385746364 /nfs/dbraw/zinc/74/63/64/385746364.db2.gz CVZKEZZXHDTBTN-UHFFFAOYSA-N 2 0 233.359 1.818 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CC2CCC1CC2 ZINC000336655726 385767149 /nfs/dbraw/zinc/76/71/49/385767149.db2.gz JMKWWALSFVMRQP-NWINJMCUSA-N 2 0 240.391 1.909 20 0 BDADRP CCC[NH2+]CC[NH2+]C[C@@H]1CCO[C@@H](CC)C1 ZINC000414865480 385768434 /nfs/dbraw/zinc/76/84/34/385768434.db2.gz FPLIRUOBICVXJD-OLZOCXBDSA-N 2 0 228.380 1.781 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000647797740 385787934 /nfs/dbraw/zinc/78/79/34/385787934.db2.gz AGKBKJGHTWTPFO-LPTSXCQYSA-N 2 0 208.349 1.763 20 0 BDADRP COC[C@]1(C[NH2+][C@H]2CCC[C@H]2C)CCC[NH2+]1 ZINC000414945310 385800278 /nfs/dbraw/zinc/80/02/78/385800278.db2.gz PZQOJFXGGLCZMY-FRRDWIJNSA-N 2 0 226.364 1.533 20 0 BDADRP CCCC[C@H](COC)[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414947273 385802182 /nfs/dbraw/zinc/80/21/82/385802182.db2.gz KOHOEHRTUUUUGX-YNEHKIRRSA-N 2 0 228.380 1.922 20 0 BDADRP C[C@H](CCCCO)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000647803337 385837108 /nfs/dbraw/zinc/83/71/08/385837108.db2.gz VHIYUZRFGVNHHM-GFCCVEGCSA-N 2 0 236.359 1.786 20 0 BDADRP CC[NH2+][C@H](C)CN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000414956098 385838672 /nfs/dbraw/zinc/83/86/72/385838672.db2.gz NCBAEMNDRROYTI-MGPQQGTHSA-N 2 0 241.423 1.885 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CO1 ZINC000647804810 385838825 /nfs/dbraw/zinc/83/88/25/385838825.db2.gz ZYHHOMSGCGHXDN-WYUUTHIRSA-N 2 0 212.337 1.142 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000647804004 385841584 /nfs/dbraw/zinc/84/15/84/385841584.db2.gz HLMUSQZWBCTQQN-XOKHJRTDSA-N 2 0 238.375 1.517 20 0 BDADRP CCCCOCC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000336718170 385843488 /nfs/dbraw/zinc/84/34/88/385843488.db2.gz QXGRBSTYAZXKFU-UHFFFAOYSA-N 2 0 240.391 1.879 20 0 BDADRP C[NH2+]Cc1cccc(N[C@H]2CCC[NH2+]CC2)c1 ZINC000414870020 385845535 /nfs/dbraw/zinc/84/55/35/385845535.db2.gz RYBLOAFHZKXGFU-ZDUSSCGKSA-N 2 0 233.359 1.960 20 0 BDADRP Cc1cc(N)cc(C[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000414957461 385852210 /nfs/dbraw/zinc/85/22/10/385852210.db2.gz BODBQTZXHGKWQB-LBPRGKRZSA-N 2 0 233.359 1.666 20 0 BDADRP C[C@H](C(=O)NC(C)(C)C[NH3+])[C@H]([NH3+])c1ccccc1 ZINC000262499621 385852536 /nfs/dbraw/zinc/85/25/36/385852536.db2.gz GECCTSBMHBXJJA-JQWIXIFHSA-N 2 0 249.358 1.176 20 0 BDADRP CC[NH2+]Cc1cccc(NCC(C)(C)[NH3+])c1 ZINC000414871399 385855263 /nfs/dbraw/zinc/85/52/63/385855263.db2.gz UDNZJYIONHFHIP-UHFFFAOYSA-N 2 0 221.348 1.945 20 0 BDADRP OC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647798094 385792036 /nfs/dbraw/zinc/79/20/36/385792036.db2.gz LATASBYMZHQBLB-XHJNMGKDSA-N 2 0 238.375 1.125 20 0 BDADRP CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647799199 385797494 /nfs/dbraw/zinc/79/74/94/385797494.db2.gz AORPPJALBMNDNE-KSTCHIGDSA-N 2 0 238.375 1.532 20 0 BDADRP C1C[NH2+][C@@H]([C@H]2CCC[C@H]2N[C@@H]2CCC[NH2+]C2)C1 ZINC000414874205 385885131 /nfs/dbraw/zinc/88/51/31/385885131.db2.gz YTDYZJWSLIKSCR-AAVRWANBSA-N 2 0 237.391 1.249 20 0 BDADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCOC2)CC1 ZINC000122079647 385887144 /nfs/dbraw/zinc/88/71/44/385887144.db2.gz BTDYUGHFVNJUBU-GFCCVEGCSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H]1CN(CCCC2CC[NH2+]CC2)C[C@H](C)[NH2+]1 ZINC000647841618 385889869 /nfs/dbraw/zinc/88/98/69/385889869.db2.gz FUFAEKQVCYSTLM-BETUJISGSA-N 2 0 239.407 1.448 20 0 BDADRP COC[C@@]1(C[NH2+][C@H](C)C2CCC2)CCC[NH2+]1 ZINC000414962414 385892248 /nfs/dbraw/zinc/89/22/48/385892248.db2.gz WBCDHRZYYSKBCY-YPMHNXCESA-N 2 0 226.364 1.533 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)CCC(C)(C)[NH3+] ZINC000647847389 385896490 /nfs/dbraw/zinc/89/64/90/385896490.db2.gz NUHATMPBXUKUPD-UHFFFAOYSA-N 2 0 229.368 1.138 20 0 BDADRP Cc1ncc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)s1 ZINC000335037731 385929158 /nfs/dbraw/zinc/92/91/58/385929158.db2.gz FNVZXIIFYVURDX-CABZTGNLSA-N 2 0 239.388 1.929 20 0 BDADRP c1cc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)ccn1 ZINC000414965370 385904178 /nfs/dbraw/zinc/90/41/78/385904178.db2.gz FQQXUWIQMBEBGK-CYBMUJFWSA-N 2 0 219.332 1.703 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCCN[C@@H]2C)CC[NH2+]1 ZINC000414964536 385907764 /nfs/dbraw/zinc/90/77/64/385907764.db2.gz YOUIUCGUOCUPDK-FDYHWXHSSA-N 2 0 225.380 1.105 20 0 BDADRP CCCn1nc(C)c(C[NH2+][C@@H](C)CC[NH3+])c1C ZINC000414876799 385911617 /nfs/dbraw/zinc/91/16/17/385911617.db2.gz DXYMTLIKJWPBOA-JTQLQIEISA-N 2 0 238.379 1.737 20 0 BDADRP CC(C)OCCC[NH+]1CCC(CC[NH3+])CC1 ZINC000071533764 385917916 /nfs/dbraw/zinc/91/79/16/385917916.db2.gz XQHARPGYXPUDTQ-UHFFFAOYSA-N 2 0 228.380 1.862 20 0 BDADRP COc1ccc(C[NH2+]C[C@H](C)C[NH3+])cc1O ZINC000414877353 385920139 /nfs/dbraw/zinc/92/01/39/385920139.db2.gz MPXCURXWDKRIMB-SECBINFHSA-N 2 0 224.304 1.085 20 0 BDADRP COC(C)(C)C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000123119666 385859481 /nfs/dbraw/zinc/85/94/81/385859481.db2.gz FPEWAMCRTXOYQM-MNOVXSKESA-N 2 0 214.353 1.341 20 0 BDADRP Cc1cccn2c(C[NH2+]C[C@@H](C)C[NH3+])cnc12 ZINC000414872080 385860972 /nfs/dbraw/zinc/86/09/72/385860972.db2.gz FDPPPHGKISUDOI-JTQLQIEISA-N 2 0 232.331 1.327 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2noc3c2CCCC3)CC1 ZINC000647811472 385863740 /nfs/dbraw/zinc/86/37/40/385863740.db2.gz CMUAILHTTZEDOQ-UHFFFAOYSA-N 2 0 249.358 1.724 20 0 BDADRP C[C@@H]1CCCN(C(=O)CCC(C)(C)[NH3+])[C@H]1C[NH3+] ZINC000647819615 385871196 /nfs/dbraw/zinc/87/11/96/385871196.db2.gz HZHZOPAEBYPHTQ-MNOVXSKESA-N 2 0 241.379 1.090 20 0 BDADRP C[C@@H]([NH2+]C1Cc2ccccc2C1)C1C[NH2+]C1 ZINC000335038279 385928015 /nfs/dbraw/zinc/92/80/15/385928015.db2.gz IUVUCTVKQIJRBY-SNVBAGLBSA-N 2 0 216.328 1.351 20 0 BDADRP Cc1ncc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)s1 ZINC000335037733 385928301 /nfs/dbraw/zinc/92/83/01/385928301.db2.gz FNVZXIIFYVURDX-SKDRFNHKSA-N 2 0 239.388 1.929 20 0 BDADRP Cc1ccc(C[NH2+]C[C@@H](C)C[NH3+])cc1F ZINC000414873743 385880279 /nfs/dbraw/zinc/88/02/79/385880279.db2.gz HWEOCFHANYYFJN-VIFPVBQESA-N 2 0 210.296 1.819 20 0 BDADRP Cc1cn[nH]c1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414971932 385979216 /nfs/dbraw/zinc/97/92/16/385979216.db2.gz XBIOFYLLAAOJAC-LLVKDONJSA-N 2 0 222.336 1.340 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2(C)CC[NH2+]CC2)CC[N@@H+]1C ZINC000335021089 385980952 /nfs/dbraw/zinc/98/09/52/385980952.db2.gz BCCGSEAGSIWXJC-CHWSQXEVSA-N 3 0 239.407 1.448 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000335040003 385931008 /nfs/dbraw/zinc/93/10/08/385931008.db2.gz NYOKTZXOTSDIQM-UONOGXRCSA-N 3 0 239.407 1.578 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCOCC3CC3)C[C@H]21 ZINC000342088609 385935548 /nfs/dbraw/zinc/93/55/48/385935548.db2.gz ADRCXNCNJJPVPY-MGPQQGTHSA-N 2 0 238.375 1.472 20 0 BDADRP C[N@H+](CCCC1CC[NH2+]CC1)C1CC([NH3+])C1 ZINC000647982612 385937844 /nfs/dbraw/zinc/93/78/44/385937844.db2.gz DMGKUZXZSNLPFL-UHFFFAOYSA-N 3 0 225.380 1.188 20 0 BDADRP CCC[C@H]([NH3+])C(=O)N1CCNCc2ccccc21 ZINC000294990849 385938677 /nfs/dbraw/zinc/93/86/77/385938677.db2.gz HPFLOWBCIPKKAL-LBPRGKRZSA-N 2 0 247.342 1.250 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccoc1 ZINC000335046082 385942089 /nfs/dbraw/zinc/94/20/89/385942089.db2.gz ZLVBXAYNKZGRLC-ZYHUDNBSSA-N 2 0 208.305 1.757 20 0 BDADRP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)[C@H]1C[C@@H]1C ZINC000414080239 385950006 /nfs/dbraw/zinc/95/00/06/385950006.db2.gz UKFJPBBVKKJJGD-XUXIUFHCSA-N 2 0 240.391 1.467 20 0 BDADRP CC(C)(C)[NH+]1CCC(N[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000335056187 385955585 /nfs/dbraw/zinc/95/55/85/385955585.db2.gz CWZASFKOHPUKPO-QWHCGFSZSA-N 2 0 239.407 1.719 20 0 BDADRP CC1([NH3+])CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000647924971 385964691 /nfs/dbraw/zinc/96/46/91/385964691.db2.gz ZKXGSMMOZAARMB-LBPRGKRZSA-N 3 0 225.380 1.189 20 0 BDADRP C1C[C@H](N2CCC[C@@]3(CCSC3)C2)C[NH2+]1 ZINC000335012524 385968452 /nfs/dbraw/zinc/96/84/52/385968452.db2.gz ZHJUPVAJKNCJMB-NWDGAFQWSA-N 2 0 226.389 1.567 20 0 BDADRP CO[C@@H](C[NH+]1CCC(C[NH+](C)C)CC1)C1CC1 ZINC000425407496 385968662 /nfs/dbraw/zinc/96/86/62/385968662.db2.gz PRXBPTXODMCIBJ-AWEZNQCLSA-N 2 0 240.391 1.685 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)O1 ZINC000309256102 385998965 /nfs/dbraw/zinc/99/89/65/385998965.db2.gz GKCQIWUERKJXDV-FDYHWXHSSA-N 2 0 224.348 1.238 20 0 BDADRP CN(CC[NH+]1CCCC1)C[C@@H]1CCC[N@@H+]1C ZINC000643256096 386001523 /nfs/dbraw/zinc/00/15/23/386001523.db2.gz QZVAOMCRCBKOIX-ZDUSSCGKSA-N 2 0 225.380 1.108 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@H](C)CCCC[NH3+])CC1 ZINC000336721960 386003232 /nfs/dbraw/zinc/00/32/32/386003232.db2.gz SPQHZTDGSBUXMB-CYBMUJFWSA-N 3 0 241.423 1.966 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+]CC[C@H]1CCOC1 ZINC000336770200 386011112 /nfs/dbraw/zinc/01/11/12/386011112.db2.gz WJKXSTYUIYVZQK-NEPJUHHUSA-N 2 0 214.353 1.343 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@]1(C)CCO[C@@H]1C ZINC000336751875 386013946 /nfs/dbraw/zinc/01/39/46/386013946.db2.gz DBAUHVQSBYTUNB-OLZOCXBDSA-N 2 0 228.380 1.875 20 0 BDADRP Cc1[nH]nc2ncc(C[NH2+][C@@H](C)CC[NH3+])cc12 ZINC000414882435 386015661 /nfs/dbraw/zinc/01/56/61/386015661.db2.gz MCLNWWZSVPCJCA-QMMMGPOBSA-N 2 0 233.319 1.093 20 0 BDADRP CC(C)OC1CC([NH2+]CCC[NH+](C)C)C1 ZINC000189510426 386017209 /nfs/dbraw/zinc/01/72/09/386017209.db2.gz YTQNJFHAILRGFH-UHFFFAOYSA-N 2 0 214.353 1.484 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)CCOC)[C@@H](C)C1 ZINC000414192881 386032748 /nfs/dbraw/zinc/03/27/48/386032748.db2.gz HVIXDMZCTMQPJR-RDBSUJKOSA-N 2 0 242.407 1.979 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@H](C)CCOC)CC1 ZINC000414203180 386040222 /nfs/dbraw/zinc/04/02/22/386040222.db2.gz NJOTWBRJNGURMJ-GFCCVEGCSA-N 2 0 228.380 1.733 20 0 BDADRP C[C@H](C[NH3+])CN[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000414884074 386043396 /nfs/dbraw/zinc/04/33/96/386043396.db2.gz VLYHTYPGATWAOW-BPLDGKMQSA-N 2 0 247.386 1.664 20 0 BDADRP C[C@@H](C[NH2+]C[C@@H](C)C[NH3+])CC1CCOCC1 ZINC000414884241 386045727 /nfs/dbraw/zinc/04/57/27/386045727.db2.gz VXRPFNAZNVAERO-NEPJUHHUSA-N 2 0 228.380 1.624 20 0 BDADRP Cn1ncc2c1CCC[C@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000129055330 386045885 /nfs/dbraw/zinc/04/58/85/386045885.db2.gz HZRJNHJWUYWZDB-WCQYABFASA-N 2 0 248.374 1.529 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]C[C@H](C)CC1CCOCC1 ZINC000414884244 386046016 /nfs/dbraw/zinc/04/60/16/386046016.db2.gz VXRPFNAZNVAERO-VXGBXAGGSA-N 2 0 228.380 1.624 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1NC1CC[NH+](C2CC2)CC1 ZINC000335078683 386051493 /nfs/dbraw/zinc/05/14/93/386051493.db2.gz RKVNAWDVSGYRFO-ZIAGYGMSSA-N 2 0 237.391 1.473 20 0 BDADRP CC1=CC[C@@H]([NH2+]C[C@@]2(O)CCN(C)C2)CC1 ZINC000334459987 386110909 /nfs/dbraw/zinc/11/09/09/386110909.db2.gz UERNFGXEBMTHKC-OLZOCXBDSA-N 2 0 224.348 1.141 20 0 BDADRP CC1=CC[C@H]([NH2+]C[C@]2(O)CCN(C)C2)CC1 ZINC000334459988 386112188 /nfs/dbraw/zinc/11/21/88/386112188.db2.gz UERNFGXEBMTHKC-QWHCGFSZSA-N 2 0 224.348 1.141 20 0 BDADRP C[C@@H]1[NH2+]CCN(CC[NH2+]C(C)(C)C)[C@H]1C ZINC000414665374 386114097 /nfs/dbraw/zinc/11/40/97/386114097.db2.gz VETBSDHSLFUEQU-QWRGUYRKSA-N 2 0 213.369 1.057 20 0 BDADRP C[NH2+]C1CCN(C[C@@H]([NH3+])CC(C)C)CC1 ZINC000414666913 386114753 /nfs/dbraw/zinc/11/47/53/386114753.db2.gz GSZFMKGBJCCJCK-NSHDSACASA-N 2 0 213.369 1.044 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cn[nH]c1 ZINC000340519095 386115021 /nfs/dbraw/zinc/11/50/21/386115021.db2.gz UKJUKHLXADBTNE-LLVKDONJSA-N 2 0 248.374 1.935 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@H](C)Cc1ccccc1OC ZINC000414982264 386065351 /nfs/dbraw/zinc/06/53/51/386065351.db2.gz CNTFSNPUYVRCGS-YPMHNXCESA-N 2 0 236.359 1.953 20 0 BDADRP C[NH2+]C[C@H]1CCCN(C[C@@H]([NH3+])CC(C)C)C1 ZINC000414651156 386071113 /nfs/dbraw/zinc/07/11/13/386071113.db2.gz FGYXTOPHTUSGHY-OLZOCXBDSA-N 2 0 227.396 1.291 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])C(C)(C)O ZINC000394006424 386075072 /nfs/dbraw/zinc/07/50/72/386075072.db2.gz XXUARPCGIRYORF-QWRGUYRKSA-N 2 0 216.369 1.643 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000414655163 386079146 /nfs/dbraw/zinc/07/91/46/386079146.db2.gz DAVZDRWZKHSCME-TUAOUCFPSA-N 2 0 213.369 1.029 20 0 BDADRP CSC1(C[NH2+][C@@H](C)CCC[NH3+])CC1 ZINC000336642497 386079955 /nfs/dbraw/zinc/07/99/55/386079955.db2.gz AOXNNMKPEHVOLE-VIFPVBQESA-N 2 0 202.367 1.599 20 0 BDADRP COc1ccncc1C[NH+]1CCC(C[NH3+])CC1 ZINC000310088385 386082786 /nfs/dbraw/zinc/08/27/86/386082786.db2.gz PIUCSNJMGNDZRG-UHFFFAOYSA-N 2 0 235.331 1.261 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](C)[C@@H]2CN)CC[NH2+]1 ZINC000414657089 386085686 /nfs/dbraw/zinc/08/56/86/386085686.db2.gz JMDPILCFOYNLAX-SYQHCUMBSA-N 2 0 239.407 1.434 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000414888209 386098747 /nfs/dbraw/zinc/09/87/47/386098747.db2.gz ZTLKULHGJZMMQY-SNVBAGLBSA-N 2 0 245.326 1.625 20 0 BDADRP C[C@]1(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)CC[NH2+]C1 ZINC000414991926 386150372 /nfs/dbraw/zinc/15/03/72/386150372.db2.gz BHUXBEIBBZRXDK-AVGNSLFASA-N 3 0 225.380 1.093 20 0 BDADRP CC(C)Cn1cc(C[NH2+][C@H](C)CC[NH3+])cn1 ZINC000414893723 386163080 /nfs/dbraw/zinc/16/30/80/386163080.db2.gz YTKZGCWSUSHPFP-LLVKDONJSA-N 2 0 224.352 1.366 20 0 BDADRP C[C@@H](CC[NH3+])[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC000414893676 386164589 /nfs/dbraw/zinc/16/45/89/386164589.db2.gz YMOUEOWHUIMOEU-NSHDSACASA-N 2 0 244.342 1.904 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCCC[C@H]1CC(N)=O ZINC000414682826 386166308 /nfs/dbraw/zinc/16/63/08/386166308.db2.gz AQASNPJCKSUANA-NEPJUHHUSA-N 2 0 241.379 1.090 20 0 BDADRP C[C@@H](CC[NH3+])[NH2+]Cc1ccccc1N(C)C ZINC000414894471 386173278 /nfs/dbraw/zinc/17/32/78/386173278.db2.gz ZLHVSMLGQJSRRX-NSHDSACASA-N 2 0 221.348 1.580 20 0 BDADRP CCCCOCC[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000164646889 386174342 /nfs/dbraw/zinc/17/43/42/386174342.db2.gz ZVCAIADUJZJGST-QWHCGFSZSA-N 2 0 228.380 1.720 20 0 BDADRP CCCn1cc(C[NH2+][C@H](C)CC[NH3+])cn1 ZINC000414894623 386174999 /nfs/dbraw/zinc/17/49/99/386174999.db2.gz ZSCQWMVUWSNKQZ-SNVBAGLBSA-N 2 0 210.325 1.120 20 0 BDADRP C[C@@H](CC[NH3+])[NH2+]Cc1cccc2c[nH]nc21 ZINC000414894629 386175623 /nfs/dbraw/zinc/17/56/23/386175623.db2.gz ZSGLZVASKPDKRZ-VIFPVBQESA-N 2 0 218.304 1.390 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@H](C[NH+](C)C)C2)CC[NH2+]1 ZINC000414690634 386185839 /nfs/dbraw/zinc/18/58/39/386185839.db2.gz HXCQMDMVCHNOOU-HZSPNIEDSA-N 2 0 239.407 1.258 20 0 BDADRP C([C@H]1CCOC1)[N@@H+](C[C@H]1CC[NH2+]C1)C1CC1 ZINC000647875051 386142537 /nfs/dbraw/zinc/14/25/37/386142537.db2.gz SYJCKDKEMWDFNJ-NWDGAFQWSA-N 2 0 224.348 1.097 20 0 BDADRP Cc1ccc(CCC[NH2+]CCCC[NH3+])cn1 ZINC000414897114 386203178 /nfs/dbraw/zinc/20/31/78/386203178.db2.gz ASQDSHLCKMWQRK-UHFFFAOYSA-N 2 0 221.348 1.651 20 0 BDADRP CCC1(CO)CCN(C[C@@H]([NH3+])CC(C)C)CC1 ZINC000414701891 386204449 /nfs/dbraw/zinc/20/44/49/386204449.db2.gz LDLNFBMSMCBCSE-ZDUSSCGKSA-N 2 0 242.407 1.844 20 0 BDADRP C[C@H](c1cccnc1)N1CCN(CCC[NH3+])CC1 ZINC000414700439 386204800 /nfs/dbraw/zinc/20/48/00/386204800.db2.gz SPGJEKPFAPWKKZ-CYBMUJFWSA-N 2 0 248.374 1.109 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+](C)C[C@@H]2CCC[C@H]2O)CC[NH2+]1 ZINC000414700525 386207918 /nfs/dbraw/zinc/20/79/18/386207918.db2.gz GAZSBLPMBGISMW-YIYPIFLZSA-N 2 0 240.391 1.467 20 0 BDADRP COCC(C)(C)[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414700586 386208544 /nfs/dbraw/zinc/20/85/44/386208544.db2.gz GIDGYIYMCIVUBT-GHMZBOCLSA-N 2 0 214.353 1.389 20 0 BDADRP [NH3+]CCCC[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC000414897134 386215279 /nfs/dbraw/zinc/21/52/79/386215279.db2.gz AWVWLVHQAJNDQY-UHFFFAOYSA-N 2 0 244.342 1.905 20 0 BDADRP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000132125549 386221536 /nfs/dbraw/zinc/22/15/36/386221536.db2.gz KNSNKKINJAXLGH-AAEUAGOBSA-N 2 0 248.374 1.387 20 0 BDADRP COC(=O)[C@H](C)C[N@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414709766 386225312 /nfs/dbraw/zinc/22/53/12/386225312.db2.gz RSYWBFLFOLDZAF-WOPDTQHZSA-N 2 0 242.363 1.115 20 0 BDADRP C[C@H](CC1CCOCC1)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000347038903 386226874 /nfs/dbraw/zinc/22/68/74/386226874.db2.gz IYWPGSUJJUDAEK-TZMCWYRMSA-N 2 0 240.391 1.720 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+]C(C)(C)CCO ZINC000414712037 386227614 /nfs/dbraw/zinc/22/76/14/386227614.db2.gz SEEQZGZBKSCNPR-JTQLQIEISA-N 2 0 202.342 1.110 20 0 BDADRP Cc1nn(C)c2ncc(CN(C)[C@@H](C)C[NH3+])cc12 ZINC000347046492 386228060 /nfs/dbraw/zinc/22/80/60/386228060.db2.gz OGSYCLROKDTTRN-VIFPVBQESA-N 2 0 247.346 1.056 20 0 BDADRP C[C@@H](NC(=O)C(C)(C)C[NH3+])C(C)(C)C[NH+](C)C ZINC000237477677 259683562 /nfs/dbraw/zinc/68/35/62/259683562.db2.gz CBODCZIAZPOKDD-SNVBAGLBSA-N 2 0 243.395 1.064 20 0 BDADRP C[NH2+]C[C@@H]1CCCN(Cc2c(C)n[nH]c2C)C1 ZINC000347080219 386239140 /nfs/dbraw/zinc/23/91/40/386239140.db2.gz XDODNEFMXVFKIZ-LBPRGKRZSA-N 2 0 236.363 1.458 20 0 BDADRP CN(c1ccccc1)C1CC[NH+](CCC[NH3+])CC1 ZINC000414716520 386239314 /nfs/dbraw/zinc/23/93/14/386239314.db2.gz YFBLLRBPKUJABX-UHFFFAOYSA-N 2 0 247.386 1.936 20 0 BDADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](C)O ZINC000339096372 386242699 /nfs/dbraw/zinc/24/26/99/386242699.db2.gz LXPSYKMCRJPCMG-IHRRRGAJSA-N 2 0 242.407 1.857 20 0 BDADRP CO[C@H]1CC[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414716034 386243464 /nfs/dbraw/zinc/24/34/64/386243464.db2.gz WMSUZVHOTOKHIO-WOPDTQHZSA-N 2 0 212.337 1.095 20 0 BDADRP [NH3+]CCCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000414899379 386244731 /nfs/dbraw/zinc/24/47/31/386244731.db2.gz FVISEFJDOWXAOS-UTUOFQBUSA-N 2 0 224.348 1.273 20 0 BDADRP COCC[C@H](C)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000297379712 386247957 /nfs/dbraw/zinc/24/79/57/386247957.db2.gz AIIXOUHGUAQVFX-NSHDSACASA-N 2 0 233.315 1.849 20 0 BDADRP C[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)[NH+](C)C ZINC000353512495 386251666 /nfs/dbraw/zinc/25/16/66/386251666.db2.gz CXBKVGMKIJWWJR-XJFOESAGSA-N 2 0 239.407 1.399 20 0 BDADRP CC[N@H+](C)Cc1cccc(CNC(N)=[NH2+])c1 ZINC000263969272 386196306 /nfs/dbraw/zinc/19/63/06/386196306.db2.gz NMJUPNDEDAJOFT-UHFFFAOYSA-N 2 0 220.320 1.121 20 0 BDADRP Cc1ccc([C@@H](CNC(N)=[NH2+])[NH+]2CCCC2)cc1 ZINC000263968078 386196444 /nfs/dbraw/zinc/19/64/44/386196444.db2.gz NAUYZDYBQVGVJL-CYBMUJFWSA-N 2 0 246.358 1.615 20 0 BDADRP C[C@H]1CC[N@H+](C)CCN1CC[NH2+]C(C)(C)C ZINC000414696874 386199955 /nfs/dbraw/zinc/19/99/55/386199955.db2.gz QPOIWGSYNLEKBI-LBPRGKRZSA-N 2 0 227.396 1.401 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@H]2CCCSC2)C1 ZINC000415004547 386281058 /nfs/dbraw/zinc/28/10/58/386281058.db2.gz OIINCSYQZPXZMV-UTUOFQBUSA-N 2 0 228.405 1.989 20 0 BDADRP C[C@@H](CO)[N@H+](C)Cc1cccc2nccn21 ZINC000289521764 386324262 /nfs/dbraw/zinc/32/42/62/386324262.db2.gz VLJCMBFOQNTQKV-JTQLQIEISA-N 2 0 219.288 1.147 20 0 BDADRP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CCC(C)(C)O ZINC000347295581 386296485 /nfs/dbraw/zinc/29/64/85/386296485.db2.gz BUUPVLNCXNDDJF-ZDUSSCGKSA-N 2 0 242.407 1.954 20 0 BDADRP C[N@H+](CCCCCO)CC[C@@H]1CCC[NH+]1C ZINC000336667783 386297278 /nfs/dbraw/zinc/29/72/78/386297278.db2.gz OSRZZQDZZUBGSE-ZDUSSCGKSA-N 2 0 228.380 1.565 20 0 BDADRP C[NH+](C)C[C@H]1CCN(Cc2ccc(F)cn2)C1 ZINC000276344150 386303995 /nfs/dbraw/zinc/30/39/95/386303995.db2.gz IULXEOLATOGDTE-LLVKDONJSA-N 2 0 237.322 1.604 20 0 BDADRP C[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)[C@H](CN)C1 ZINC000335266636 386305498 /nfs/dbraw/zinc/30/54/98/386305498.db2.gz BVTPCLQBRZXIPV-YPMHNXCESA-N 2 0 225.380 1.045 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](O)[C@H](C)C2)CC[NH2+]1 ZINC000414738449 386319926 /nfs/dbraw/zinc/31/99/26/386319926.db2.gz JJBZKTGXQMDYHH-FDYHWXHSSA-N 2 0 226.364 1.077 20 0 BDADRP c1cc2c(s1)C[N@H+](C[C@H]1CC[NH2+]C1)CC2 ZINC000647988795 386321768 /nfs/dbraw/zinc/32/17/68/386321768.db2.gz OLMUQSPSYFNWMV-JTQLQIEISA-N 2 0 222.357 1.716 20 0 BDADRP CCn1cc(C[NH2+]CC2(C)CC[NH2+]CC2)cn1 ZINC000414902159 386322051 /nfs/dbraw/zinc/32/20/51/386322051.db2.gz KMIAPFRWBYXTSG-UHFFFAOYSA-N 2 0 236.363 1.382 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)N[C@H]1C[NH2+]CCC1(F)F ZINC000415003588 386262286 /nfs/dbraw/zinc/26/22/86/386262286.db2.gz PDEJQCCYGDMWQW-VWYCJHECSA-N 2 0 247.333 1.104 20 0 BDADRP CC[C@@H]1C[C@H](C[N@H+](C)C2CC[NH2+]CC2)CCO1 ZINC000347163278 386265945 /nfs/dbraw/zinc/26/59/45/386265945.db2.gz IPJTXCJWFNQGOG-TZMCWYRMSA-N 2 0 240.391 1.875 20 0 BDADRP c1ccc2c(c1)OCC[C@@H]2C[NH2+]C1CC[NH2+]CC1 ZINC000335276764 386341283 /nfs/dbraw/zinc/34/12/83/386341283.db2.gz IAXXGKCEZJHLDP-GFCCVEGCSA-N 2 0 246.354 1.894 20 0 BDADRP C[N@@H+]1CCC[C@H]1CCN1CCC[C@](F)(CO)C1 ZINC000347351529 386346380 /nfs/dbraw/zinc/34/63/80/386346380.db2.gz XJLNTRMMIDNNRT-QWHCGFSZSA-N 2 0 244.354 1.267 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000414746741 386347061 /nfs/dbraw/zinc/34/70/61/386347061.db2.gz SSJHIXSXTIUNTE-XQQFMLRXSA-N 2 0 227.396 1.384 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000414746732 386347377 /nfs/dbraw/zinc/34/73/77/386347377.db2.gz SSJHIXSXTIUNTE-AGIUHOORSA-N 2 0 227.396 1.384 20 0 BDADRP CC[C@@H](COC)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414906207 386371494 /nfs/dbraw/zinc/37/14/94/386371494.db2.gz MFIUHUWLXZVAHY-NWDGAFQWSA-N 2 0 214.353 1.391 20 0 BDADRP C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cccc2nccn21 ZINC000334495055 386373106 /nfs/dbraw/zinc/37/31/06/386373106.db2.gz CRZQANCYCBXESO-ZYHUDNBSSA-N 2 0 231.299 1.289 20 0 BDADRP C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cccc2nccn21 ZINC000334495053 386374719 /nfs/dbraw/zinc/37/47/19/386374719.db2.gz CRZQANCYCBXESO-PWSUYJOCSA-N 2 0 231.299 1.289 20 0 BDADRP CC(C)C[C@@H]([NH3+])CNCC[C@H]1CCC[NH2+]1 ZINC000414906969 386377120 /nfs/dbraw/zinc/37/71/20/386377120.db2.gz QDMMGXDCIHMFQL-VXGBXAGGSA-N 2 0 213.369 1.092 20 0 BDADRP C[N@H+]1CC=C(C[NH2+]C[C@H]2CCCOC2)CC1 ZINC000336775164 386384548 /nfs/dbraw/zinc/38/45/48/386384548.db2.gz YFPZWUQFDLTWEB-CYBMUJFWSA-N 2 0 224.348 1.265 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccn3)C[C@@H]21 ZINC000230049038 386335407 /nfs/dbraw/zinc/33/54/07/386335407.db2.gz IOIASFWPGKIWHX-FPMFFAJLSA-N 2 0 231.343 1.641 20 0 BDADRP C[C@@]1(CN2CC[N@@H+]3CCCC[C@@H]3C2)CC[NH2+]C1 ZINC000094440690 386452635 /nfs/dbraw/zinc/45/26/35/386452635.db2.gz WVLSQKIHKONWAE-ZIAGYGMSSA-N 2 0 237.391 1.156 20 0 BDADRP Cc1cc(C)cc(C[N@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000336754344 386438768 /nfs/dbraw/zinc/43/87/68/386438768.db2.gz WXRBSVLPDCYWEB-ZDUSSCGKSA-N 2 0 222.332 1.055 20 0 BDADRP CC(C)CC[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000414767728 386441942 /nfs/dbraw/zinc/44/19/42/386441942.db2.gz GSOFIMFAKIHAGC-KGLIPLIRSA-N 2 0 240.391 1.861 20 0 BDADRP C[C@H]([NH3+])CN(CCC[NH3+])CC1CCCC1 ZINC000336732289 386390951 /nfs/dbraw/zinc/39/09/51/386390951.db2.gz FQTPXAVKTHUBAO-NSHDSACASA-N 2 0 213.369 1.175 20 0 BDADRP C[C@@H]([NH3+])CN1CC[C@H](CNc2ccccn2)C1 ZINC000442643648 386397788 /nfs/dbraw/zinc/39/77/88/386397788.db2.gz ANRPXBBJLSQVFT-VXGBXAGGSA-N 3 0 234.347 1.163 20 0 BDADRP CCC[C@]1(CO)CCC[N@@H+]1C[C@H]([NH3+])CC(C)C ZINC000414756517 386400902 /nfs/dbraw/zinc/40/09/02/386400902.db2.gz JXGDUYUMNZEIAX-ZIAGYGMSSA-N 2 0 242.407 1.987 20 0 BDADRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](O)C(C)C)C1 ZINC000336700663 386401721 /nfs/dbraw/zinc/40/17/21/386401721.db2.gz KNJOMLOCDKGBTK-ZIAGYGMSSA-N 2 0 242.407 1.667 20 0 BDADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@@H]1CCCO1 ZINC000336732710 386402842 /nfs/dbraw/zinc/40/28/42/386402842.db2.gz FZYTUWRPYOMIOV-AAEUAGOBSA-N 2 0 224.348 1.405 20 0 BDADRP CCCC[C@H](COC)[NH2+]CCCC[NH3+] ZINC000414909425 386415648 /nfs/dbraw/zinc/41/56/48/386415648.db2.gz REHVWQIOQDHOAV-LLVKDONJSA-N 2 0 202.342 1.520 20 0 BDADRP CCOCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000093488819 386417605 /nfs/dbraw/zinc/41/76/05/386417605.db2.gz IXRYQUSXQHHMJW-HZSPNIEDSA-N 2 0 240.391 1.923 20 0 BDADRP [NH3+]Cc1ccc(C(=O)N2CCCC[C@@H]2C[NH3+])cc1 ZINC000237957212 386428351 /nfs/dbraw/zinc/42/83/51/386428351.db2.gz ZKSDSGJAQUFJJZ-CYBMUJFWSA-N 2 0 247.342 1.099 20 0 BDADRP CCOC1CC([N@H+](C)CCn2ccnc2C)C1 ZINC000347471453 386432643 /nfs/dbraw/zinc/43/26/43/386432643.db2.gz WXTHYPURTXTFMJ-UHFFFAOYSA-N 2 0 237.347 1.691 20 0 BDADRP CC[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CC[C@H]1[NH3+] ZINC000647934663 386482873 /nfs/dbraw/zinc/48/28/73/386482873.db2.gz LZONIMLFNQQUPU-MGPQQGTHSA-N 3 0 239.407 1.435 20 0 BDADRP C[C@@H]1C[C@@H]1C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414780338 386495555 /nfs/dbraw/zinc/49/55/55/386495555.db2.gz LIKUCWYIHKKDKM-JHJVBQTASA-N 2 0 238.375 1.330 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000415043354 386529574 /nfs/dbraw/zinc/52/95/74/386529574.db2.gz RTRNRQFAOSUUDY-OCCSQVGLSA-N 3 0 239.407 1.578 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)C[C@@]1(C)C[NH3+] ZINC000415050200 386507141 /nfs/dbraw/zinc/50/71/41/386507141.db2.gz FMRQNJCLQPWZLR-YIYPIFLZSA-N 3 0 239.407 1.291 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]Cc1cn2ccccc2n1 ZINC000415020199 386508646 /nfs/dbraw/zinc/50/86/46/386508646.db2.gz JJIKCAMEACWSKX-LLVKDONJSA-N 2 0 232.331 1.551 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000415043355 386529921 /nfs/dbraw/zinc/52/99/21/386529921.db2.gz RTRNRQFAOSUUDY-TZMCWYRMSA-N 3 0 239.407 1.578 20 0 BDADRP CCc1ncc(C[NH2+][C@H](C)CCC[NH3+])s1 ZINC000415021866 386511397 /nfs/dbraw/zinc/51/13/97/386511397.db2.gz LBZQIHSBYMFWFK-SECBINFHSA-N 2 0 227.377 1.923 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc2c(c1)COC2 ZINC000415023223 386512158 /nfs/dbraw/zinc/51/21/58/386512158.db2.gz MLSBKDMYCWDJTG-LLVKDONJSA-N 2 0 234.343 1.934 20 0 BDADRP C[C@H]1OCC[C@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415026002 386514738 /nfs/dbraw/zinc/51/47/38/386514738.db2.gz ROAILEXKEUZSQL-FDYHWXHSSA-N 2 0 226.364 1.519 20 0 BDADRP COC(=O)C(C)(C)CC[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415029578 386517275 /nfs/dbraw/zinc/51/72/75/386517275.db2.gz DXLPANPHLITPAP-GHMZBOCLSA-N 2 0 242.363 1.293 20 0 BDADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccsc2)C1 ZINC000415027619 386517484 /nfs/dbraw/zinc/51/74/84/386517484.db2.gz BIBQLVLTLOUTSA-MWLCHTKSSA-N 2 0 210.346 1.965 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)C1CCCCC1 ZINC000415032145 386519868 /nfs/dbraw/zinc/51/98/68/386519868.db2.gz FRMILFHFJCFKDH-OCCSQVGLSA-N 2 0 240.391 1.923 20 0 BDADRP COc1ccc([C@@H](C)C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415034968 386520925 /nfs/dbraw/zinc/52/09/25/386520925.db2.gz KGRYDJNOTDSJDN-BSLXNSKLSA-N 2 0 246.354 1.606 20 0 BDADRP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415035305 386521749 /nfs/dbraw/zinc/52/17/49/386521749.db2.gz KKJBGZMUMHPFBV-KVSVUVNWSA-N 2 0 208.349 1.620 20 0 BDADRP C[C@@H]1CCC[C@H](C[NH2+]C[C@@H]2C[NH2+]CCCO2)C1 ZINC000415036438 386524355 /nfs/dbraw/zinc/52/43/55/386524355.db2.gz JVRYZQGCTSUVOO-RDBSUJKOSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@@]1(C[NH2+]CC[C@@H]2CCOC2)CCC[NH2+]C1 ZINC000414917006 386524716 /nfs/dbraw/zinc/52/47/16/386524716.db2.gz QUAWTBPJHSORBC-CHWSQXEVSA-N 2 0 226.364 1.392 20 0 BDADRP COCC(C)(C)C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415040282 386526171 /nfs/dbraw/zinc/52/61/71/386526171.db2.gz OWFRTGWXQSPHAD-GHMZBOCLSA-N 2 0 214.353 1.376 20 0 BDADRP C1CC([C@@H]2CC[C@H]2[NH2+]C2CC[NH2+]CC2)C1 ZINC000335452326 386527518 /nfs/dbraw/zinc/52/75/18/386527518.db2.gz OIMYWUVDHXPNIV-QWHCGFSZSA-N 2 0 208.349 1.907 20 0 BDADRP C[C@H](CCc1ccccc1F)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415039300 386527719 /nfs/dbraw/zinc/52/77/19/386527719.db2.gz PEDKFVXGLYKHAK-PBOSXPJTSA-N 2 0 248.345 1.954 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]([NH3+])CC(C)C)[C@@H]1CCCO1 ZINC000415076905 386576698 /nfs/dbraw/zinc/57/66/98/386576698.db2.gz GYFIPGPTJLYYMJ-AVGNSLFASA-N 2 0 228.380 1.907 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[NH2+][C@H](C)C1CCOCC1 ZINC000415076270 386581700 /nfs/dbraw/zinc/58/17/00/386581700.db2.gz ARXZBRRYNOXFCJ-DGCLKSJQSA-N 2 0 228.380 1.765 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)N[C@H]1CCCC[NH2+]C1 ZINC000415080121 386586669 /nfs/dbraw/zinc/58/66/69/386586669.db2.gz YCHZDMZXERDAEG-AGIUHOORSA-N 2 0 225.380 1.249 20 0 BDADRP CCn1nccc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000414801508 386589395 /nfs/dbraw/zinc/58/93/95/386589395.db2.gz UEYQACKZUJXVHS-ZYHUDNBSSA-N 2 0 222.336 1.120 20 0 BDADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)[C@H]1CCOC1 ZINC000453404238 386589575 /nfs/dbraw/zinc/58/95/75/386589575.db2.gz PJJTXSQWQCWIGB-OLZOCXBDSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)[C@@H]([NH3+])CN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000414802367 386594566 /nfs/dbraw/zinc/59/45/66/386594566.db2.gz VOCPZIMCJBHGKP-MCIONIFRSA-N 3 0 241.423 1.870 20 0 BDADRP CO[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000415082786 386594788 /nfs/dbraw/zinc/59/47/88/386594788.db2.gz OVSGBMRNQBIJDA-MROQNXINSA-N 2 0 226.364 1.532 20 0 BDADRP CC[N@H+](C[C@@H]1CCCO1)C[C@]1(C)CC[NH2+]C1 ZINC000062911681 386531759 /nfs/dbraw/zinc/53/17/59/386531759.db2.gz PJWPFKQNUXFPQN-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP CC(C)(C)[C@@H](C[NH3+])NCc1cnc(N)s1 ZINC000415056504 386538740 /nfs/dbraw/zinc/53/87/40/386538740.db2.gz QUDONIIXWNQNLH-MRVPVSSYSA-N 2 0 228.365 1.019 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@@](C)(O)C2)[C@H](C)C1 ZINC000417360151 386543734 /nfs/dbraw/zinc/54/37/34/386543734.db2.gz XDAAUNDTSVWJGL-LPWJVIDDSA-N 2 0 226.364 1.220 20 0 BDADRP c1ccc2c(c1)NCCC[C@H]2[NH2+]CC1C[NH2+]C1 ZINC000335462701 386546234 /nfs/dbraw/zinc/54/62/34/386546234.db2.gz TYBUERCSNIWUFI-CQSZACIVSA-N 2 0 231.343 1.742 20 0 BDADRP COCCC(C)(C)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400464800 533177432 /nfs/dbraw/zinc/17/74/32/533177432.db2.gz SOWLHAAOAFMIIO-NWDGAFQWSA-N 2 0 228.380 1.779 20 0 BDADRP [NH3+]C[C@H](NC[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000415068168 386550242 /nfs/dbraw/zinc/55/02/42/386550242.db2.gz QJFZOWQHACVOMP-AAEUAGOBSA-N 3 0 225.380 1.093 20 0 BDADRP [NH3+]C[C@H]1c2ccccc2CCN1C[C@H]1CC[NH2+]C1 ZINC000647995786 386558860 /nfs/dbraw/zinc/55/88/60/386558860.db2.gz GFSFBTOVBKURQZ-WFASDCNBSA-N 2 0 245.370 1.154 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ncccc1F ZINC000519822024 386561765 /nfs/dbraw/zinc/56/17/65/386561765.db2.gz IBMCFLIXWYYQFN-JTQLQIEISA-N 2 0 225.311 1.828 20 0 BDADRP Cn1cncc1C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000267645043 386565312 /nfs/dbraw/zinc/56/53/12/386565312.db2.gz WOWDRMQGCJWSJB-LLVKDONJSA-N 2 0 245.330 1.523 20 0 BDADRP COCc1cccc(C[NH2+]C[C@]2(C)CC[NH2+]C2)c1 ZINC000415075451 386568737 /nfs/dbraw/zinc/56/87/37/386568737.db2.gz BKGGAFPQFIDEGC-OAHLLOKOSA-N 2 0 248.370 1.922 20 0 BDADRP CC[C@H]([NH2+]C1CC[NH2+]CC1)[C@H]1CCCO1 ZINC000415075836 386569642 /nfs/dbraw/zinc/56/96/42/386569642.db2.gz FQMOBQFZUBXMLT-NWDGAFQWSA-N 2 0 212.337 1.286 20 0 BDADRP CC[N@@H+]1CCCC[C@H]1CNC[C@]1(C)CC[NH2+]C1 ZINC000415074295 386573551 /nfs/dbraw/zinc/57/35/51/386573551.db2.gz CGCOERKZDCZCHT-UONOGXRCSA-N 2 0 239.407 1.450 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@H]([NH2+]C)C1 ZINC000070584510 386573742 /nfs/dbraw/zinc/57/37/42/386573742.db2.gz IZMICUSCLMBPDD-LBPRGKRZSA-N 2 0 213.369 1.012 20 0 BDADRP COC(=O)C(C)(C)C[NH2+]C[C@@H]([NH3+])CC(C)C ZINC000415113941 386621134 /nfs/dbraw/zinc/62/11/34/386621134.db2.gz SZCGZLSQOOUNOL-JTQLQIEISA-N 2 0 230.352 1.149 20 0 BDADRP [NH3+]CCCN(c1cccc(F)c1)[C@H]1CC[NH2+]C1 ZINC000415113275 386622080 /nfs/dbraw/zinc/62/20/80/386622080.db2.gz DWPFMFVRVKMZKI-ZDUSSCGKSA-N 2 0 237.322 1.343 20 0 BDADRP C[C@H]([NH3+])c1ccc(CNCC(C)(C)[NH3+])cc1 ZINC000414808992 386624545 /nfs/dbraw/zinc/62/45/45/386624545.db2.gz LQJYSEILVHVFSR-JTQLQIEISA-N 2 0 221.348 1.533 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)C1CCSCC1 ZINC000335498705 386625745 /nfs/dbraw/zinc/62/57/45/386625745.db2.gz UFAQLSKSNDYUNW-KOLCDFICSA-N 2 0 214.378 1.470 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC000415126029 386627132 /nfs/dbraw/zinc/62/71/32/386627132.db2.gz LWDNJXXLLUKTKI-SYQHCUMBSA-N 3 0 239.407 1.291 20 0 BDADRP COC[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)C1CCCC1 ZINC000425919135 386632536 /nfs/dbraw/zinc/63/25/36/386632536.db2.gz IOYZJTVYOVSZIH-OCCSQVGLSA-N 2 0 242.407 1.979 20 0 BDADRP OCC[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000415129879 386636846 /nfs/dbraw/zinc/63/68/46/386636846.db2.gz ZPCJTZQSPNQCMC-HUUCEWRRSA-N 2 0 248.370 1.842 20 0 BDADRP CCC(C)(C)NC(=O)CN[C@](C)(C[NH3+])C(C)C ZINC000430561731 386638724 /nfs/dbraw/zinc/63/87/24/386638724.db2.gz ABHLHHYUZSGCPD-CYBMUJFWSA-N 2 0 243.395 1.254 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1C[C@H]([NH3+])Cc2ccccc21 ZINC000415133768 386639381 /nfs/dbraw/zinc/63/93/81/386639381.db2.gz GCHTUTVZMLGMPN-ZIAGYGMSSA-N 2 0 247.386 1.750 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](CO)[C@H]2C)CC[NH2+]1 ZINC000415133975 386639970 /nfs/dbraw/zinc/63/99/70/386639970.db2.gz DAJKXHBNXUQZON-SYQHCUMBSA-N 2 0 240.391 1.467 20 0 BDADRP COc1cccc2c1CC[C@@H]([NH2+]CC[C@H](C)[NH3+])C2 ZINC000414818300 386656083 /nfs/dbraw/zinc/65/60/83/386656083.db2.gz DNFYQDWJSNIGQF-WCQYABFASA-N 2 0 248.370 1.879 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H]1CC12CC2 ZINC000417372457 386644196 /nfs/dbraw/zinc/64/41/96/386644196.db2.gz XDUBZMPUDUQVRB-IJLUTSLNSA-N 2 0 208.349 1.716 20 0 BDADRP CCCC[C@H](CN)[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414814566 386644930 /nfs/dbraw/zinc/64/49/30/386644930.db2.gz OBQWLINHRMOBQT-FRRDWIJNSA-N 2 0 227.396 1.482 20 0 BDADRP C[C@@]1(C[NH2+]C[C@H]2CCCCO2)CC[NH2+]C1 ZINC000062912054 386653762 /nfs/dbraw/zinc/65/37/62/386653762.db2.gz FOJFSDNPZGRIHB-VXGBXAGGSA-N 2 0 212.337 1.145 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(C)COC2)[C@H](C)C1 ZINC000164387760 386604344 /nfs/dbraw/zinc/60/43/44/386604344.db2.gz AWDSUEGGDNNFMY-NEPJUHHUSA-N 2 0 226.364 1.343 20 0 BDADRP [NH3+]C[C@@H]1CCCN(CCOCC(F)(F)F)C1 ZINC000049311261 386604732 /nfs/dbraw/zinc/60/47/32/386604732.db2.gz IQKCKTPTWVIGKL-VIFPVBQESA-N 2 0 240.269 1.236 20 0 BDADRP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]1CCO ZINC000415096379 386614161 /nfs/dbraw/zinc/61/41/61/386614161.db2.gz PQGKNQMXOTYLSA-NWDGAFQWSA-N 2 0 214.353 1.207 20 0 BDADRP COc1ccc(C)cc1CN[C@@H](C[NH3+])C1CC1 ZINC000414807352 386617186 /nfs/dbraw/zinc/61/71/86/386617186.db2.gz QXESSSNEUQQUCI-ZDUSSCGKSA-N 2 0 234.343 1.831 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1NCc1ccc2c[nH+]cn2c1 ZINC000335530631 386677784 /nfs/dbraw/zinc/67/77/84/386677784.db2.gz AWNZLUPDCQLRET-QWHCGFSZSA-N 2 0 230.315 1.304 20 0 BDADRP C[NH2+]CCNC[C@H](C)c1ccc(F)cc1 ZINC000414823626 386678649 /nfs/dbraw/zinc/67/86/49/386678649.db2.gz IPHLONGSQUCIDW-JTQLQIEISA-N 2 0 210.296 1.738 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+]C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000414831100 386709276 /nfs/dbraw/zinc/70/92/76/386709276.db2.gz PMYCZCLQALARBV-MGPQQGTHSA-N 2 0 240.391 1.781 20 0 BDADRP CC(C)(C)C[C@H]1CCC[N@@H+]1CCOCC[NH3+] ZINC000357071091 386710067 /nfs/dbraw/zinc/71/00/67/386710067.db2.gz BMLFNCRHOWLJFZ-GFCCVEGCSA-N 2 0 228.380 1.862 20 0 BDADRP C1C[C@H]2CC([NH2+][C@@H]3CCCSC3)C[C@@H]1[NH2+]2 ZINC000414824475 386683232 /nfs/dbraw/zinc/68/32/32/386683232.db2.gz FZFRQYBKFRIOHF-FBTJUVTCSA-N 2 0 226.389 1.755 20 0 BDADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCC23CCC3)CC1 ZINC000335468308 386685336 /nfs/dbraw/zinc/68/53/36/386685336.db2.gz GNRXSNMYDQYVCQ-GFCCVEGCSA-N 2 0 238.375 1.365 20 0 BDADRP Cc1[nH]nc2ncc(C[NH2+]CC[C@H](C)[NH3+])cc12 ZINC000414827697 386695622 /nfs/dbraw/zinc/69/56/22/386695622.db2.gz YEMPLYIJTKRLFX-QMMMGPOBSA-N 2 0 233.319 1.093 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CC1(C)CCOCC1 ZINC000336648757 386697079 /nfs/dbraw/zinc/69/70/79/386697079.db2.gz GQVBINDLEPJXRB-LBPRGKRZSA-N 2 0 228.380 1.910 20 0 BDADRP COc1cc(C)nc(C[NH2+]CC[C@H]2CC[NH2+]C2)c1 ZINC000414827989 386697937 /nfs/dbraw/zinc/69/79/37/386697937.db2.gz ICQJUJHPQRVKFW-GFCCVEGCSA-N 2 0 249.358 1.488 20 0 BDADRP COc1cc(C)nc(C[NH2+]CC[C@@H]2CC[NH2+]C2)c1 ZINC000414827990 386699640 /nfs/dbraw/zinc/69/96/40/386699640.db2.gz ICQJUJHPQRVKFW-LBPRGKRZSA-N 2 0 249.358 1.488 20 0 BDADRP [NH3+]CC1(CNC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000414828952 386700208 /nfs/dbraw/zinc/70/02/08/386700208.db2.gz KAJYGCRPYKQAMG-GFCCVEGCSA-N 2 0 219.332 1.015 20 0 BDADRP CCCCC[N@H+](CCO)CCC[NH2+]C ZINC000336648995 386702770 /nfs/dbraw/zinc/70/27/70/386702770.db2.gz CSIRWJBSVWSGOU-UHFFFAOYSA-N 2 0 202.342 1.080 20 0 BDADRP Cc1ccc(CCC[NH2+]CC[C@@H]2CC[NH2+]C2)cn1 ZINC000414829113 386702959 /nfs/dbraw/zinc/70/29/59/386702959.db2.gz KBZKFYXWDUJWGP-OAHLLOKOSA-N 2 0 247.386 1.912 20 0 BDADRP Cc1c[nH]nc1CNC[C@H](C)C[NH+]1CCCC1 ZINC000352844308 386706504 /nfs/dbraw/zinc/70/65/04/386706504.db2.gz FRVWITWOEFQTOT-NSHDSACASA-N 2 0 236.363 1.540 20 0 BDADRP CO[C@]1(C)C[C@@H]([N@H+](C)CCOCC[NH3+])C1(C)C ZINC000357080461 386707360 /nfs/dbraw/zinc/70/73/60/386707360.db2.gz MIWHJIDWNDBMTM-DGCLKSJQSA-N 2 0 244.379 1.097 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+]Cc1cccc2c1NCC2 ZINC000414835959 386731532 /nfs/dbraw/zinc/73/15/32/386731532.db2.gz IWIVZCVWXRZVRF-NSHDSACASA-N 2 0 233.359 1.600 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1c(C)nc2ccccn21 ZINC000414837648 386735613 /nfs/dbraw/zinc/73/56/13/386735613.db2.gz KRELRWYNIAVOHH-LLVKDONJSA-N 2 0 246.358 1.588 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000414831714 386712750 /nfs/dbraw/zinc/71/27/50/386712750.db2.gz DMGOJPVZFJPGCJ-YNEHKIRRSA-N 2 0 228.380 1.635 20 0 BDADRP Cc1ccc(CCCN2C[C@@H](C)[C@H]([NH3+])C2)cn1 ZINC000340690322 386714689 /nfs/dbraw/zinc/71/46/89/386714689.db2.gz KZVFFXKSFQVWME-BXUZGUMPSA-N 2 0 233.359 1.602 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](COC)CC(C)C ZINC000414832189 386717912 /nfs/dbraw/zinc/71/79/12/386717912.db2.gz FBGKZDQGGLUPEO-NEPJUHHUSA-N 2 0 216.369 1.493 20 0 BDADRP C[NH2+]CCN[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000414832003 386718220 /nfs/dbraw/zinc/71/82/20/386718220.db2.gz QNEACCHZDQEMGV-ZFWWWQNUSA-N 2 0 247.386 1.316 20 0 BDADRP C[NH2+]CCN[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000414832832 386719001 /nfs/dbraw/zinc/71/90/01/386719001.db2.gz RHWXJKSKOLMYNV-ZIAGYGMSSA-N 2 0 233.359 1.289 20 0 BDADRP C[C@@H]1CCC[C@H]1[NH2+]CCCN(C)CC[NH+](C)C ZINC000623087815 386723644 /nfs/dbraw/zinc/72/36/44/386723644.db2.gz JOQWKUWIDPCZEK-ZIAGYGMSSA-N 2 0 241.423 1.648 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000044528007 386724029 /nfs/dbraw/zinc/72/40/29/386724029.db2.gz GHTUYFUNKGGGOK-ZDUSSCGKSA-N 2 0 246.354 1.792 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414842021 386748804 /nfs/dbraw/zinc/74/88/04/386748804.db2.gz OQZUQHCYKAKIJP-CHWSQXEVSA-N 2 0 236.363 1.251 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccccc1C ZINC000414842079 386749022 /nfs/dbraw/zinc/74/90/22/386749022.db2.gz OVHTXYRYIGMHJZ-NSHDSACASA-N 2 0 206.333 1.940 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647784486 386758960 /nfs/dbraw/zinc/75/89/60/386758960.db2.gz WJCCHWJFJZQDBH-QSLWVIQJSA-N 2 0 240.391 1.371 20 0 BDADRP C[C@H]1COCC[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000192128826 386743893 /nfs/dbraw/zinc/74/38/93/386743893.db2.gz YPCWGWGAJIWROK-KBPBESRZSA-N 2 0 240.391 1.877 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(OC)c(F)c1 ZINC000414846172 386810541 /nfs/dbraw/zinc/81/05/41/386810541.db2.gz UFKMYVCRDHGKPO-SNVBAGLBSA-N 2 0 240.322 1.779 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000398540966 386839342 /nfs/dbraw/zinc/83/93/42/386839342.db2.gz GWEITBAOOJHTQX-SRVKXCTJSA-N 2 0 214.353 1.397 20 0 BDADRP CS[C@@H]1CC[C@@H]1[NH2+]CCC[NH+](C)C ZINC000425334385 386847603 /nfs/dbraw/zinc/84/76/03/386847603.db2.gz DQLBJWVSSMNRQQ-VHSXEESVSA-N 2 0 202.367 1.422 20 0 BDADRP CS[C@H]1CC[C@H]1[NH2+]CCC[NH+](C)C ZINC000425334388 386848526 /nfs/dbraw/zinc/84/85/26/386848526.db2.gz DQLBJWVSSMNRQQ-ZJUUUORDSA-N 2 0 202.367 1.422 20 0 BDADRP CC1(C)CCC[NH2+][C@H]1C[NH2+]CC1CC[NH2+]CC1 ZINC000414937919 386856127 /nfs/dbraw/zinc/85/61/27/386856127.db2.gz XUPYTNRFJIXPHU-ZDUSSCGKSA-N 3 0 239.407 1.354 20 0 BDADRP CC[C@@H](C)C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000336744317 386861093 /nfs/dbraw/zinc/86/10/93/386861093.db2.gz ZDKSDIHDWWQJGQ-LLVKDONJSA-N 2 0 214.353 1.079 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCC[C@@H]1CCO ZINC000331662923 386878324 /nfs/dbraw/zinc/87/83/24/386878324.db2.gz QMBKGMOAJNFDHG-MQYQWHSLSA-N 2 0 240.391 1.787 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000331662930 386879061 /nfs/dbraw/zinc/87/90/61/386879061.db2.gz QMBKGMOAJNFDHG-SYQHCUMBSA-N 2 0 240.391 1.787 20 0 BDADRP CO[C@@H]1C[C@@H]([NH2+]C2CCN(C)CC2)C12CCC2 ZINC000308389204 386894791 /nfs/dbraw/zinc/89/47/91/386894791.db2.gz ICLYVSWTGUJJRB-CHWSQXEVSA-N 2 0 238.375 1.628 20 0 BDADRP [NH3+]C1(CN[C@@H]2CCC[NH2+]C2)CCCCCC1 ZINC000334839186 386881768 /nfs/dbraw/zinc/88/17/68/386881768.db2.gz YHHRHUJLQBXMJE-GFCCVEGCSA-N 2 0 225.380 1.380 20 0 BDADRP CC(C)C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000334862228 386914905 /nfs/dbraw/zinc/91/49/05/386914905.db2.gz JERLRIUEUUQRTF-KGLIPLIRSA-N 2 0 240.391 1.861 20 0 BDADRP C[C@H]1OCC[C@@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000334862389 386917813 /nfs/dbraw/zinc/91/78/13/386917813.db2.gz KWRISGKXAFNYKO-MNOVXSKESA-N 2 0 212.337 1.143 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]C2CCSCC2)C1 ZINC000334848092 386896400 /nfs/dbraw/zinc/89/64/00/386896400.db2.gz HXCJPJGQKLWXBY-GHMZBOCLSA-N 2 0 228.405 1.989 20 0 BDADRP c1cc2c(c(CN[C@@H]3CCC[NH2+]C3)c1)NCC2 ZINC000334850833 386900521 /nfs/dbraw/zinc/90/05/21/386900521.db2.gz VXAGPMAXOMPSSO-CYBMUJFWSA-N 2 0 231.343 1.496 20 0 BDADRP COC[C@]1(C[NH2+][C@H]2CCCC[C@H]2C)CCC[NH2+]1 ZINC000414942239 386901707 /nfs/dbraw/zinc/90/17/07/386901707.db2.gz JVIHAXWYQFRPDX-HZSPNIEDSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCN(C)CC2(C)C)CC[NH2+]1 ZINC000334853496 386903902 /nfs/dbraw/zinc/90/39/02/386903902.db2.gz DFCHGAFCIVIHLL-OLZOCXBDSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc2c[nH]nc21 ZINC000334856219 386909022 /nfs/dbraw/zinc/90/90/22/386909022.db2.gz HELSRTADXIKENJ-GXFFZTMASA-N 2 0 244.342 1.651 20 0 BDADRP C[C@@H]1OCC[C@H]1[NH2+]CC1([NH3+])CCCCC1 ZINC000334819892 386947123 /nfs/dbraw/zinc/94/71/23/386947123.db2.gz WBDMEWYOGMTBIK-WDEREUQCSA-N 2 0 212.337 1.415 20 0 BDADRP [NH3+][C@H]1C[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)c2ccccc21 ZINC000331968988 386932822 /nfs/dbraw/zinc/93/28/22/386932822.db2.gz JLLKMCKEAIZPDB-PKIAMQTDSA-N 2 0 245.370 1.991 20 0 BDADRP [NH3+][C@H]1C[C@@H](N[C@H]2CCC[C@@H]([NH3+])C2)c2ccccc21 ZINC000331968986 386933228 /nfs/dbraw/zinc/93/32/28/386933228.db2.gz JLLKMCKEAIZPDB-FDRIWYBQSA-N 2 0 245.370 1.991 20 0 BDADRP CC1(C)CCC[C@H]1[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000334874442 386934979 /nfs/dbraw/zinc/93/49/79/386934979.db2.gz MJSIMJRSBRFZDX-NWDGAFQWSA-N 2 0 226.364 1.533 20 0 BDADRP CC1(C)CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C1 ZINC000334873781 386935187 /nfs/dbraw/zinc/93/51/87/386935187.db2.gz JGXTUPOWYAWAMI-RYUDHWBXSA-N 2 0 226.364 1.533 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000332342359 386972622 /nfs/dbraw/zinc/97/26/22/386972622.db2.gz PZYKIPCOHVDZGY-MQYQWHSLSA-N 2 0 240.391 1.787 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]2SC)C1 ZINC000425363734 386972934 /nfs/dbraw/zinc/97/29/34/386972934.db2.gz XTVCDTNMNPLTEN-UTUOFQBUSA-N 2 0 228.405 1.812 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCC[C@H](CO)C1 ZINC000332377424 386973376 /nfs/dbraw/zinc/97/33/76/386973376.db2.gz XZKGPIAECNSWBD-DGAVXFQQSA-N 2 0 240.391 1.787 20 0 BDADRP C[C@H](CN[C@@H](C)[C@H]1CCCC[NH2+]1)[N@H+](C)C1CC1 ZINC000395205989 386999278 /nfs/dbraw/zinc/99/92/78/386999278.db2.gz ONNBQKKKQUOKAJ-MBNYWOFBSA-N 2 0 239.407 1.589 20 0 BDADRP CCC[C@H](O)C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000332055248 386950037 /nfs/dbraw/zinc/95/00/37/386950037.db2.gz XBJZCIJQECZXGN-QJPTWQEYSA-N 2 0 214.353 1.397 20 0 BDADRP C[C@@H]1CCCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000334965848 387047357 /nfs/dbraw/zinc/04/73/57/387047357.db2.gz ADEPKUJDKYIKEJ-CYBMUJFWSA-N 2 0 225.380 1.014 20 0 BDADRP C[C@H]([NH3+])C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000334966815 387048864 /nfs/dbraw/zinc/04/88/64/387048864.db2.gz GVJQVNWIFQWMML-JQWIXIFHSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@@]1(F)CNCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000334969262 387053372 /nfs/dbraw/zinc/05/33/72/387053372.db2.gz BKTKSJWRVHPOKO-QWHCGFSZSA-N 2 0 243.370 1.010 20 0 BDADRP [NH3+]CCN1CC[C@@H](n2ncc3ccccc32)C1 ZINC000334971593 387056195 /nfs/dbraw/zinc/05/61/95/387056195.db2.gz ZIOFMWQSQNZURW-GFCCVEGCSA-N 2 0 230.315 1.242 20 0 BDADRP CCC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000334935346 387011712 /nfs/dbraw/zinc/01/17/12/387011712.db2.gz DGURPMPFQDOJPP-ZIAGYGMSSA-N 2 0 239.407 1.354 20 0 BDADRP CC[NH2+]CCCNC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000519118941 387016093 /nfs/dbraw/zinc/01/60/93/387016093.db2.gz RCLMHLPARHSOGC-VXGBXAGGSA-N 2 0 241.379 1.010 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1NCc1nc(C2CC2)cs1 ZINC000333261772 387024777 /nfs/dbraw/zinc/02/47/77/387024777.db2.gz IXUWXOJZIZZTEU-NXEZZACHSA-N 2 0 237.372 1.990 20 0 BDADRP C[C@@H](NCC1([NH3+])CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000333302553 387026708 /nfs/dbraw/zinc/02/67/08/387026708.db2.gz QGKBKHPRBRLQCV-OLZOCXBDSA-N 2 0 239.407 1.768 20 0 BDADRP C[N@H+](CCC1CC[NH2+]CC1)[C@@H]1CCC[NH2+]CC1 ZINC000359224165 387068935 /nfs/dbraw/zinc/06/89/35/387068935.db2.gz RJGFAPJRCWNZKX-CQSZACIVSA-N 2 0 239.407 1.450 20 0 BDADRP c1ncc2c(n1)C[N@H+](CCC1CC[NH2+]CC1)CC2 ZINC000359217481 387069367 /nfs/dbraw/zinc/06/93/67/387069367.db2.gz RZGWCQAJTYECJY-UHFFFAOYSA-N 2 0 246.358 1.224 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)[C@@H]1CCCC[NH2+]1 ZINC000333883485 387070614 /nfs/dbraw/zinc/07/06/14/387070614.db2.gz WRMJQEVCFCZWLT-LOWDOPEQSA-N 3 0 225.380 1.234 20 0 BDADRP Cc1cc(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)on1 ZINC000334983746 387072116 /nfs/dbraw/zinc/07/21/16/387072116.db2.gz NKVCOHOCKFBTJU-OCCSQVGLSA-N 2 0 249.358 1.947 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000423300535 387132548 /nfs/dbraw/zinc/13/25/48/387132548.db2.gz RSKUFBNKNKGQEG-XQQFMLRXSA-N 2 0 227.396 1.434 20 0 BDADRP CO[C@H](C)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000370003531 387081068 /nfs/dbraw/zinc/08/10/68/387081068.db2.gz BPYLFLFRWZIKDZ-CYBMUJFWSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCc2cccnc2)C1 ZINC000111695583 387085658 /nfs/dbraw/zinc/08/56/58/387085658.db2.gz RXVCTGGENBYTOL-JSGCOSHPSA-N 2 0 233.359 1.683 20 0 BDADRP Nc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000334994882 387086291 /nfs/dbraw/zinc/08/62/91/387086291.db2.gz WBLCTIRFOQMYFJ-HNNXBMFYSA-N 2 0 245.370 1.844 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCOCC(F)F)CC[N@@H+]1C ZINC000188744128 387088028 /nfs/dbraw/zinc/08/80/28/387088028.db2.gz RNUAPQAQWMJXAQ-VHSXEESVSA-N 2 0 236.306 1.340 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](CO)CC(C)(C)C ZINC000393458359 259704192 /nfs/dbraw/zinc/70/41/92/259704192.db2.gz IODJMWPZEUEINI-WDEREUQCSA-N 2 0 216.369 1.501 20 0 BDADRP Cc1cc(CC[NH2+][C@H]2C[C@@H](C)N(C3CC3)C2)on1 ZINC000353080804 387101459 /nfs/dbraw/zinc/10/14/59/387101459.db2.gz CRNSKRPIVOJOQO-NEPJUHHUSA-N 2 0 249.358 1.740 20 0 BDADRP CC1(F)CC([NH2+][C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000335008452 387102188 /nfs/dbraw/zinc/10/21/88/387102188.db2.gz UMJFUBUPLFRMLM-ZYGVAYEYSA-N 2 0 214.328 1.984 20 0 BDADRP C[N@@H+]1CCCC(C)(C)[C@H]1CN[C@@H]1CC[NH2+]C1 ZINC000335008955 387102407 /nfs/dbraw/zinc/10/24/07/387102407.db2.gz FKCJYXLMGBBTFM-VXGBXAGGSA-N 2 0 225.380 1.058 20 0 BDADRP Cc1ccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)c(C)n1 ZINC000335010423 387105150 /nfs/dbraw/zinc/10/51/50/387105150.db2.gz QEHMGBGNTZHNPH-CQSZACIVSA-N 2 0 233.359 1.869 20 0 BDADRP C[C@H]1COCC[C@H]1[NH2+]CC1([NH3+])CCCCC1 ZINC000335011459 387106802 /nfs/dbraw/zinc/10/68/02/387106802.db2.gz SSMGDRFOMQHEOI-NWDGAFQWSA-N 2 0 226.364 1.663 20 0 BDADRP CN(C)[C@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000250349726 387114664 /nfs/dbraw/zinc/11/46/64/387114664.db2.gz IWSGTHNHLUFWDW-KGLIPLIRSA-N 2 0 239.407 1.402 20 0 BDADRP Cn1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cn1 ZINC000250614978 387120548 /nfs/dbraw/zinc/12/05/48/387120548.db2.gz BOUIWNRFHBSXAA-BFHYXJOUSA-N 2 0 248.374 1.430 20 0 BDADRP CC[C@H]([NH2+]C[C@H](C)C[NH3+])c1ccncc1 ZINC000423310224 387146147 /nfs/dbraw/zinc/14/61/47/387146147.db2.gz RKZSHTFNVQYBIM-PWSUYJOCSA-N 2 0 207.321 1.717 20 0 BDADRP CCC[NH2+]CCN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000423310332 387147014 /nfs/dbraw/zinc/14/70/14/387147014.db2.gz NJULZFJDEUVMRC-NWDGAFQWSA-N 2 0 213.369 1.093 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000423311235 387149550 /nfs/dbraw/zinc/14/95/50/387149550.db2.gz TVCDMWAVVJKTAJ-DGCLKSJQSA-N 2 0 234.343 1.565 20 0 BDADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NC(CC)(CC)C[NH3+] ZINC000353179501 387150364 /nfs/dbraw/zinc/15/03/64/387150364.db2.gz BXKVUEFQBIRPEM-WDEREUQCSA-N 2 0 241.379 1.008 20 0 BDADRP COC[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)C1CCCC1 ZINC000423314204 387154331 /nfs/dbraw/zinc/15/43/31/387154331.db2.gz GUJXGEHLDCFRTB-CHWSQXEVSA-N 2 0 226.364 1.519 20 0 BDADRP CC[C@@](C)(O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000229387182 387166850 /nfs/dbraw/zinc/16/68/50/387166850.db2.gz GIUMSZVKTZELCN-CYBMUJFWSA-N 2 0 228.380 1.421 20 0 BDADRP Cc1nccnc1[C@H](C)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423327654 387169825 /nfs/dbraw/zinc/16/98/25/387169825.db2.gz LNRWIULXMGPSBF-LBPRGKRZSA-N 2 0 248.374 1.825 20 0 BDADRP COC(=O)c1coc([C@H](C)[NH2+]CCCC[NH3+])c1 ZINC000423327944 387170018 /nfs/dbraw/zinc/17/00/18/387170018.db2.gz NJMDDCBOLKQIMY-VIFPVBQESA-N 2 0 240.303 1.456 20 0 BDADRP C[C@@H]1C[C@@H](NC[C@]2(C)CCC[NH2+]C2)CC[N@@H+]1C ZINC000423335890 387183452 /nfs/dbraw/zinc/18/34/52/387183452.db2.gz SIAGTIOZCLHHGI-HZSPNIEDSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H](NC[C@]1(C)CCC[NH2+]C1)[C@@H]1CCCC[NH2+]1 ZINC000423337574 387185782 /nfs/dbraw/zinc/18/57/82/387185782.db2.gz KHVPWBOROJCQDE-MELADBBJSA-N 2 0 239.407 1.496 20 0 BDADRP C[C@@H](NC[C@]1(C)CCC[NH2+]C1)[C@@H]1CCCC[NH2+]1 ZINC000423337571 387185925 /nfs/dbraw/zinc/18/59/25/387185925.db2.gz KHVPWBOROJCQDE-HZSPNIEDSA-N 2 0 239.407 1.496 20 0 BDADRP C[C@@H](Cc1ccoc1)[NH2+]CC1([NH3+])CCC1 ZINC000423337116 387185939 /nfs/dbraw/zinc/18/59/39/387185939.db2.gz TULPWGLMSUYSFN-JTQLQIEISA-N 2 0 208.305 1.682 20 0 BDADRP C[C@H](NC[C@@]1(C)CCC[NH2+]C1)[C@@H]1CCCC[NH2+]1 ZINC000423337572 387186612 /nfs/dbraw/zinc/18/66/12/387186612.db2.gz KHVPWBOROJCQDE-IHRRRGAJSA-N 2 0 239.407 1.496 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCc2c1cccc2F ZINC000423303335 387136602 /nfs/dbraw/zinc/13/66/02/387136602.db2.gz WWPWIQGIIXTGJH-NOZJJQNGSA-N 2 0 222.307 1.997 20 0 BDADRP Cc1cncc([C@@H](C)[NH2+]C[C@@H](C)C[NH3+])c1 ZINC000423305079 387138871 /nfs/dbraw/zinc/13/88/71/387138871.db2.gz KCABZZTZUMKFFR-WDEREUQCSA-N 2 0 207.321 1.635 20 0 BDADRP C[C@H](NC[C@]1(C)CCC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423351572 387202412 /nfs/dbraw/zinc/20/24/12/387202412.db2.gz ZFHGPMUUJIKVSF-RWMBFGLXSA-N 2 0 225.380 1.106 20 0 BDADRP C[C@H](Cc1ccoc1)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423353846 387204840 /nfs/dbraw/zinc/20/48/40/387204840.db2.gz DWQRVICJYKDGIK-DGCLKSJQSA-N 2 0 222.332 1.942 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000300409937 387206080 /nfs/dbraw/zinc/20/60/80/387206080.db2.gz CQUOTEQPPQICLN-KGLIPLIRSA-N 2 0 241.423 1.789 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000300413151 387208688 /nfs/dbraw/zinc/20/86/88/387208688.db2.gz YVUYXBOQAJEYMW-FQUUOJAGSA-N 2 0 242.407 1.856 20 0 BDADRP C[C@H](N[C@@H]1CC[NH2+]C[C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000423361764 387213661 /nfs/dbraw/zinc/21/36/61/387213661.db2.gz APCXISZEXJSPGI-YVECIDJPSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@H](CCO)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353517296 387219774 /nfs/dbraw/zinc/21/97/74/387219774.db2.gz JWOVRFWEGTWXDA-XJFOESAGSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@H](CCO)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353517294 387220413 /nfs/dbraw/zinc/22/04/13/387220413.db2.gz JWOVRFWEGTWXDA-RQJABVFESA-N 2 0 240.391 1.467 20 0 BDADRP C[C@H](NC[C@H]1[NH2+]CCc2ccccc21)C1C[NH2+]C1 ZINC000423424946 387253003 /nfs/dbraw/zinc/25/30/03/387253003.db2.gz LYLTYJCRDSIHRM-XHDPSFHLSA-N 2 0 245.370 1.071 20 0 BDADRP CC[C@H](CCO)[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353528748 387223673 /nfs/dbraw/zinc/22/36/73/387223673.db2.gz HPJSAZKHDRNHMW-XJFOESAGSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423425481 387253135 /nfs/dbraw/zinc/25/31/35/387253135.db2.gz GUSFZPZFMTXWLU-WOPDTQHZSA-N 3 0 213.369 1.234 20 0 BDADRP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000423373021 387227159 /nfs/dbraw/zinc/22/71/59/387227159.db2.gz GTJUDIQJZVEHCS-FQUUOJAGSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423372523 387227271 /nfs/dbraw/zinc/22/72/71/387227271.db2.gz VXHSQNACFROTJP-YNEHKIRRSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)[C@H](C)O1 ZINC000423325909 387228730 /nfs/dbraw/zinc/22/87/30/387228730.db2.gz CETFZBFXHHQHNH-VOAKCMCISA-N 2 0 226.364 1.532 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CCO[C@H]1C)C[NH+]1CCCCC1 ZINC000120343751 387232033 /nfs/dbraw/zinc/23/20/33/387232033.db2.gz OHMKKILIKZWHLE-HZSPNIEDSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@H]1CCCC[C@H]1C[NH3+] ZINC000300687328 387236586 /nfs/dbraw/zinc/23/65/86/387236586.db2.gz LEGUNBJNQYZKBT-KBPBESRZSA-N 2 0 241.423 1.824 20 0 BDADRP CC[NH2+][C@H](C)CN[C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000423402560 387237903 /nfs/dbraw/zinc/23/79/03/387237903.db2.gz YJKLLHWQPWKXDF-WOPDTQHZSA-N 2 0 213.369 1.105 20 0 BDADRP c1cnn([C@@H]2CCC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000336409500 387237943 /nfs/dbraw/zinc/23/79/43/387237943.db2.gz YNOMDLSGJMVJSR-ZIAGYGMSSA-N 2 0 248.374 1.520 20 0 BDADRP Cc1n[nH]cc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000353615722 387242921 /nfs/dbraw/zinc/24/29/21/387242921.db2.gz AFJVCXQDEOPERH-UHFFFAOYSA-N 2 0 236.363 1.681 20 0 BDADRP COC[C@]1(C[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)CCC[NH2+]1 ZINC000423411308 387246205 /nfs/dbraw/zinc/24/62/05/387246205.db2.gz FJCFKJZLMOESON-YVECIDJPSA-N 2 0 226.364 1.389 20 0 BDADRP COC[C@@]1(C[NH2+][C@@H]2CCC2(C)C)CCC[NH2+]1 ZINC000423413645 387246271 /nfs/dbraw/zinc/24/62/71/387246271.db2.gz LFCGTHLNMJBABE-YPMHNXCESA-N 2 0 226.364 1.533 20 0 BDADRP COCC1CCC([NH2+][C@@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000423408589 387246841 /nfs/dbraw/zinc/24/68/41/387246841.db2.gz XRZDOISRDYAFDB-GFJIZPEISA-N 2 0 240.391 1.779 20 0 BDADRP C[C@H]([NH2+]Cc1cccc2c1CCCN2)C1C[NH2+]C1 ZINC000423416469 387248177 /nfs/dbraw/zinc/24/81/77/387248177.db2.gz QPNVFIIEACXXQH-NSHDSACASA-N 2 0 245.370 1.742 20 0 BDADRP c1ccc2c(c1)CCC([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)CC2 ZINC000423429171 387253810 /nfs/dbraw/zinc/25/38/10/387253810.db2.gz LDDLVFVRCUEWMD-ZSHCYNCHSA-N 2 0 242.366 1.741 20 0 BDADRP CC[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCCC1 ZINC000423420168 387248955 /nfs/dbraw/zinc/24/89/55/387248955.db2.gz BDYBZWSRDVUOOW-QNWHQSFQSA-N 2 0 208.349 1.763 20 0 BDADRP C[C@@H]1CCNC[C@H]1[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423466483 387315506 /nfs/dbraw/zinc/31/55/06/387315506.db2.gz AQGCKFVVEMJDQP-JHJVBQTASA-N 2 0 225.380 1.106 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@H](COC)C1CCCC1 ZINC000423467760 387315620 /nfs/dbraw/zinc/31/56/20/387315620.db2.gz OBBMOHYGLCGLAO-VXGBXAGGSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@@H](N[C@H]1CC[NH2+][C@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000423377861 387260638 /nfs/dbraw/zinc/26/06/38/387260638.db2.gz KOJWMUZEIGTNLP-FVCCEPFGSA-N 2 0 225.380 1.247 20 0 BDADRP CC[C@H]([NH2+][C@H](C)CCCC[NH3+])[C@@H]1CCC[NH2+]1 ZINC000423430521 387264873 /nfs/dbraw/zinc/26/48/73/387264873.db2.gz KZASDHNGOMUQMS-AGIUHOORSA-N 3 0 227.396 1.624 20 0 BDADRP CC[NH2+][C@H](C)CN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000423387017 387270743 /nfs/dbraw/zinc/27/07/43/387270743.db2.gz SGYXFJFDUMGSRB-QNWHQSFQSA-N 2 0 227.396 1.303 20 0 BDADRP CC1(C)CCC[NH2+][C@@H]1CN[C@H]1CCC[C@H]1C[NH3+] ZINC000423387540 387271479 /nfs/dbraw/zinc/27/14/79/387271479.db2.gz MCMCRJATVQDCRP-RWMBFGLXSA-N 2 0 239.407 1.482 20 0 BDADRP CC[NH2+][C@H](C)CN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000423386526 387272271 /nfs/dbraw/zinc/27/22/71/387272271.db2.gz LJIYLQHIWWZYCJ-UTUOFQBUSA-N 2 0 213.369 1.092 20 0 BDADRP CC[NH2+][C@H](C)CN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423388043 387273582 /nfs/dbraw/zinc/27/35/82/387273582.db2.gz MOKMOMRIWOFJDI-NFAWXSAZSA-N 2 0 249.402 1.533 20 0 BDADRP CC[NH2+][C@H](C)CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000423391034 387277315 /nfs/dbraw/zinc/27/73/15/387277315.db2.gz PAQPMOCZZHZPSW-SYQHCUMBSA-N 2 0 239.407 1.447 20 0 BDADRP C[C@@H](NC[C@@H]1[NH2+]CCCC1(C)C)[C@H]1CCC[NH2+]1 ZINC000423393240 387279803 /nfs/dbraw/zinc/27/98/03/387279803.db2.gz QVLOYJKLFXTDDD-UPJWGTAASA-N 2 0 239.407 1.495 20 0 BDADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000423439424 387290472 /nfs/dbraw/zinc/29/04/72/387290472.db2.gz AARRLJPBLJCDRI-QSLWVIQJSA-N 2 0 240.391 1.907 20 0 BDADRP C[C@H]([NH3+])[C@H](C)N[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000423440144 387291131 /nfs/dbraw/zinc/29/11/31/387291131.db2.gz APKHPHNLOPUKDY-NWBUJAPZSA-N 2 0 225.380 1.185 20 0 BDADRP CCC1(CC)[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])C[C@@H]1OC ZINC000423442803 387292061 /nfs/dbraw/zinc/29/20/61/387292061.db2.gz KBKWNZFNMBBXEF-QCNOEVLYSA-N 2 0 228.380 1.905 20 0 BDADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000423448935 387296854 /nfs/dbraw/zinc/29/68/54/387296854.db2.gz QVXJDTOPYYFKRQ-KKJSVHSVSA-N 2 0 224.348 1.269 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000423450024 387298962 /nfs/dbraw/zinc/29/89/62/387298962.db2.gz HBTSKXBBYCFFOL-UWVGGRQHSA-N 2 0 225.311 1.999 20 0 BDADRP C[NH+](C)CC1CC[NH+](CCC2(O)CCC2)CC1 ZINC000396755177 387299492 /nfs/dbraw/zinc/29/94/92/387299492.db2.gz BSCNCJLOSGDJLE-UHFFFAOYSA-N 2 0 240.391 1.565 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423450042 387299712 /nfs/dbraw/zinc/29/97/12/387299712.db2.gz HCIYYMJDEQVWHE-GRYCIOLGSA-N 2 0 213.369 1.234 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@@H](C)CC(=O)Nc1ccccc1 ZINC000423458130 387305715 /nfs/dbraw/zinc/30/57/15/387305715.db2.gz GJQLGRMPHVNMNJ-NWDGAFQWSA-N 2 0 249.358 1.731 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCCC[NH2+]1 ZINC000423459912 387309430 /nfs/dbraw/zinc/30/94/30/387309430.db2.gz AHSYPFYPJULYFM-DGAVXFQQSA-N 3 0 239.407 1.624 20 0 BDADRP COCC1CCC([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000423521016 387354243 /nfs/dbraw/zinc/35/42/43/387354243.db2.gz WVKKUJKCEDQRGC-FKZOYECMSA-N 2 0 240.391 1.909 20 0 BDADRP CC[C@H]1CCC[N@H+](C[C@@](C)(O)C[NH2+]C)CC1 ZINC000515305619 387361752 /nfs/dbraw/zinc/36/17/52/387361752.db2.gz CEBUMBFIBUJULP-STQMWFEESA-N 2 0 228.380 1.469 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CCCCN1 ZINC000643502355 387363152 /nfs/dbraw/zinc/36/31/52/387363152.db2.gz DHXJOVUFVZAICR-RYUDHWBXSA-N 2 0 213.369 1.236 20 0 BDADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)[C@@H]1CCCO1 ZINC000423481807 387364582 /nfs/dbraw/zinc/36/45/82/387364582.db2.gz OODZXTZMVVBCBL-XQQFMLRXSA-N 2 0 226.364 1.676 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2C[NH3+])CCO1 ZINC000423541641 387365418 /nfs/dbraw/zinc/36/54/18/387365418.db2.gz FSORKFKMSJTUTM-FDYHWXHSSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)[C@@H]1CCCC[NH2+]1 ZINC000423545675 387371223 /nfs/dbraw/zinc/37/12/23/387371223.db2.gz YHEVFNWONYCMSS-OCCSQVGLSA-N 3 0 237.391 1.416 20 0 BDADRP CCOC[C@H]1CCC[C@@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000423554128 387371886 /nfs/dbraw/zinc/37/18/86/387371886.db2.gz LBCIRYMMECJNSO-OCCSQVGLSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2CCCC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000423553665 387372974 /nfs/dbraw/zinc/37/29/74/387372974.db2.gz KQNYHZJUQCXYLN-UPJWGTAASA-N 2 0 237.391 1.343 20 0 BDADRP CC[C@H](NCCC[NH2+]C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423558655 387375215 /nfs/dbraw/zinc/37/52/15/387375215.db2.gz OGHCQIBLNNSXRC-STQMWFEESA-N 2 0 225.380 1.249 20 0 BDADRP CC[C@@H](COC)[NH2+]C[C@@H](C)Cn1ccnc1C ZINC000121516001 387375383 /nfs/dbraw/zinc/37/53/83/387375383.db2.gz MWCRWBASGYBQEY-YPMHNXCESA-N 2 0 239.363 1.842 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@H]1CCCC[NH2+]C1 ZINC000423566315 387376971 /nfs/dbraw/zinc/37/69/71/387376971.db2.gz UBUYHDUNTBABQD-MBNYWOFBSA-N 2 0 237.391 1.201 20 0 BDADRP C[C@@H]([NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)[C@H](C)[NH3+] ZINC000423473760 387319698 /nfs/dbraw/zinc/31/96/98/387319698.db2.gz QVXJDTOPYYFKRQ-MTVMDMGHSA-N 2 0 224.348 1.269 20 0 BDADRP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)[C@@H](C)[NH3+] ZINC000423473723 387320004 /nfs/dbraw/zinc/32/00/04/387320004.db2.gz QVBPTCHPWVEGNX-WYUUTHIRSA-N 2 0 214.353 1.517 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+]C1CCC(COC)CC1 ZINC000423479979 387326393 /nfs/dbraw/zinc/32/63/93/387326393.db2.gz VUSJJRCODYWXMO-MOENNCHZSA-N 2 0 214.353 1.519 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000423481998 387328028 /nfs/dbraw/zinc/32/80/28/387328028.db2.gz XHULNTMBVFANIN-RFQIPJPRSA-N 3 0 239.407 1.754 20 0 BDADRP C[C@H]([NH3+])[C@H](C)N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423483486 387329052 /nfs/dbraw/zinc/32/90/52/387329052.db2.gz XWNYBYCUCNSOPL-NGERZBJRSA-N 2 0 219.332 1.457 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)C1CCC1 ZINC000423486260 387330850 /nfs/dbraw/zinc/33/08/50/387330850.db2.gz BTOBNOSZDNOLTM-OLZOCXBDSA-N 2 0 226.364 1.533 20 0 BDADRP Cc1nccnc1[C@H](C)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423485414 387331745 /nfs/dbraw/zinc/33/17/45/387331745.db2.gz ROAAOUPCAGVDHR-WCQYABFASA-N 2 0 248.374 1.968 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423484899 387331898 /nfs/dbraw/zinc/33/18/98/387331898.db2.gz RGQIDVOKKQEDET-MCIONIFRSA-N 3 0 239.407 1.448 20 0 BDADRP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)C1CCC1 ZINC000423486259 387332414 /nfs/dbraw/zinc/33/24/14/387332414.db2.gz BTOBNOSZDNOLTM-CHWSQXEVSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1cncc(F)c1 ZINC000423488824 387333819 /nfs/dbraw/zinc/33/38/19/387333819.db2.gz FAVVODIXZPYANT-OPQQBVKSSA-N 2 0 237.322 1.999 20 0 BDADRP C([NH2+][C@H]1CC[C@@H]1C1CCC1)[C@H]1C[NH2+]CCCO1 ZINC000423492241 387335196 /nfs/dbraw/zinc/33/51/96/387335196.db2.gz MHHOKGKKKMUIKT-MCIONIFRSA-N 2 0 238.375 1.533 20 0 BDADRP CCc1ccccc1[C@H]([NH3+])CN[C@@H](C)C1C[NH2+]C1 ZINC000423494996 387338740 /nfs/dbraw/zinc/33/87/40/387338740.db2.gz BFKSTDDLDMPEMD-XHDPSFHLSA-N 2 0 247.386 1.446 20 0 BDADRP C[C@H](Cc1ccoc1)[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000423503259 387342089 /nfs/dbraw/zinc/34/20/89/387342089.db2.gz KHZYNQFTXOUUFD-MDZLAQPJSA-N 2 0 222.332 1.928 20 0 BDADRP CC[C@H](O)C[NH2+]CCC1CC[NH+](CC)CC1 ZINC000515234298 387351601 /nfs/dbraw/zinc/35/16/01/387351601.db2.gz FEZSMRCWCNOYOJ-ZDUSSCGKSA-N 2 0 228.380 1.469 20 0 BDADRP C[N@H+](CCC[NH+]1CCCCC1)[C@@H]1CCC[C@@H]1O ZINC000352665060 387425613 /nfs/dbraw/zinc/42/56/13/387425613.db2.gz DEVKFXBFFCBGPE-KGLIPLIRSA-N 2 0 240.391 1.708 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CCO1 ZINC000515870082 387439005 /nfs/dbraw/zinc/43/90/05/387439005.db2.gz RBSNISWNQOXALV-YVECIDJPSA-N 2 0 226.364 1.804 20 0 BDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCCF ZINC000374419697 387452288 /nfs/dbraw/zinc/45/22/88/387452288.db2.gz IWTPLPHUARFGJK-JHJVBQTASA-N 2 0 244.354 1.530 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[NH2+]2)C1 ZINC000643505753 387454227 /nfs/dbraw/zinc/45/42/27/387454227.db2.gz GRYPLJCHAMZOKP-GRYCIOLGSA-N 2 0 212.337 1.286 20 0 BDADRP CC(C)[C@H](C(=O)N[C@H](C)CCCC[NH3+])[C@H](C)[NH3+] ZINC000423701313 387400089 /nfs/dbraw/zinc/40/00/89/387400089.db2.gz WFYIYBUOPBKDPC-WOPDTQHZSA-N 2 0 243.395 1.240 20 0 BDADRP CCC[C@@H](C(=O)N[C@H](C)CCCC[NH3+])[NH+](C)C ZINC000423700679 387400896 /nfs/dbraw/zinc/40/08/96/387400896.db2.gz UQIWAUDJESFQFZ-NEPJUHHUSA-N 2 0 243.395 1.350 20 0 BDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]([NH3+])C(C)C ZINC000423777455 387422752 /nfs/dbraw/zinc/42/27/52/387422752.db2.gz RJZYONYBBGUMRA-NWDGAFQWSA-N 2 0 243.395 1.206 20 0 BDADRP CCN1CCC[C@@H]1C[NH2+][C@H]1COC(C)(C)C1 ZINC000396851061 387503254 /nfs/dbraw/zinc/50/32/54/387503254.db2.gz LJLOXGCFZNYJPR-VXGBXAGGSA-N 2 0 226.364 1.628 20 0 BDADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H](C)C2CC2)CC1 ZINC000361587364 387504871 /nfs/dbraw/zinc/50/48/71/387504871.db2.gz VQUWEKPADOOFKJ-LBPRGKRZSA-N 2 0 240.391 1.610 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000643475482 387508505 /nfs/dbraw/zinc/50/85/05/387508505.db2.gz YDIFFDUMNJPNOT-YNEHKIRRSA-N 2 0 226.364 1.676 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000572463990 387515110 /nfs/dbraw/zinc/51/51/10/387515110.db2.gz MTLQLNRMAVHJNA-NZEXEKPDSA-N 2 0 226.364 1.802 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@@H]1CCC12CCOCC2 ZINC000516493306 387515570 /nfs/dbraw/zinc/51/55/70/387515570.db2.gz UFCVFQIPONTPCI-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP CS[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000425364874 387526008 /nfs/dbraw/zinc/52/60/08/387526008.db2.gz ZSKDZBOBSHFZKA-WCFLWFBJSA-N 2 0 240.416 1.954 20 0 BDADRP CCCC[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107368309 387526084 /nfs/dbraw/zinc/52/60/84/387526084.db2.gz VKLXMNCEBWEXAR-AWEZNQCLSA-N 2 0 239.407 1.498 20 0 BDADRP CCC(CC)C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000397108538 387541802 /nfs/dbraw/zinc/54/18/02/387541802.db2.gz PLFVGTQVKJACQC-UHFFFAOYSA-N 2 0 214.353 1.208 20 0 BDADRP CC(C)(CC[NH3+])NC(=O)c1ccc2c[nH+]cn2c1 ZINC000424047306 387470480 /nfs/dbraw/zinc/47/04/80/387470480.db2.gz NWRIZLJDWMLIOF-UHFFFAOYSA-N 2 0 246.314 1.192 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]CCN2CC[C@@H](C)C2)CCO1 ZINC000648499108 387475760 /nfs/dbraw/zinc/47/57/60/387475760.db2.gz AJCOWHIKMSCKKJ-MGPQQGTHSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)[NH2+]CCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000643508181 387479558 /nfs/dbraw/zinc/47/95/58/387479558.db2.gz RJUBQUDTPNPKPY-ZDUSSCGKSA-N 3 0 241.423 1.694 20 0 BDADRP Cc1occc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000643472330 387485606 /nfs/dbraw/zinc/48/56/06/387485606.db2.gz XTPKTFRKHZMBSX-CMPLNLGQSA-N 2 0 208.305 1.805 20 0 BDADRP CC[N@H+](CCCc1ccc(C)nc1)CC(N)=O ZINC000355149553 387488169 /nfs/dbraw/zinc/48/81/69/387488169.db2.gz FZSPXJULPLJISK-UHFFFAOYSA-N 2 0 235.331 1.130 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000422552944 387598543 /nfs/dbraw/zinc/59/85/43/387598543.db2.gz ITGQGXRNSMREFJ-IYXRBSQSSA-N 3 0 241.423 1.822 20 0 BDADRP Cc1n[nH]cc1C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422558189 387600996 /nfs/dbraw/zinc/60/09/96/387600996.db2.gz AIDVJPLDYUIYDZ-UMNHJUIQSA-N 2 0 236.363 1.523 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](CC2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000422560695 387602748 /nfs/dbraw/zinc/60/27/48/387602748.db2.gz HPJZAZIKPIZKGK-MBNYWOFBSA-N 3 0 239.407 1.291 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422715144 387629416 /nfs/dbraw/zinc/62/94/16/387629416.db2.gz RVUBJJKFDAUQQX-UMSGYPCISA-N 2 0 228.380 1.371 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CCCCO1 ZINC000422701494 387615096 /nfs/dbraw/zinc/61/50/96/387615096.db2.gz IRQBZOUCVJNPTG-GARJFASQSA-N 2 0 200.326 1.271 20 0 BDADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000422701027 387615698 /nfs/dbraw/zinc/61/56/98/387615698.db2.gz HWEKKYPFHVFWPT-MBJXGIAVSA-N 2 0 240.391 1.907 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CCN(C)C1CCCCC1 ZINC000422700375 387616056 /nfs/dbraw/zinc/61/60/56/387616056.db2.gz GSHXRCQVNBUYOQ-ZDUSSCGKSA-N 2 0 241.423 1.968 20 0 BDADRP COC[C@H](C)C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422702337 387618187 /nfs/dbraw/zinc/61/81/87/387618187.db2.gz KNNDBUDHDYESRL-UTUOFQBUSA-N 2 0 214.353 1.519 20 0 BDADRP COc1cccc2c1CCC[C@H]2[NH2+]CC1C[NH2+]C1 ZINC000643516184 387618975 /nfs/dbraw/zinc/61/89/75/387618975.db2.gz XPKNQTUIZGRHFS-CQSZACIVSA-N 2 0 246.354 1.882 20 0 BDADRP Cc1cnc(CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)s1 ZINC000122930459 387619253 /nfs/dbraw/zinc/61/92/53/387619253.db2.gz TVFDTYWVXYPBEY-GXSJLCMTSA-N 2 0 239.388 1.881 20 0 BDADRP CC[N@H+](C)CCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000422708083 387622636 /nfs/dbraw/zinc/62/26/36/387622636.db2.gz BIVXBBUDJGFXOQ-RYUDHWBXSA-N 2 0 213.369 1.188 20 0 BDADRP C[C@@H](CCc1ccco1)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000643516433 387623327 /nfs/dbraw/zinc/62/33/27/387623327.db2.gz CPBIAUGMYNHOJK-GXFFZTMASA-N 2 0 222.332 1.928 20 0 BDADRP COc1cccc([C@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)c1 ZINC000422711447 387625076 /nfs/dbraw/zinc/62/50/76/387625076.db2.gz NCMBXWPBXPIJHU-QWRGUYRKSA-N 2 0 234.343 1.954 20 0 BDADRP C[C@H]([NH2+]CCC[NH+](C)C)[C@@H]1CCCO1 ZINC000122601728 387564948 /nfs/dbraw/zinc/56/49/48/387564948.db2.gz SDIWSHIGBCBRIN-QWRGUYRKSA-N 2 0 200.326 1.095 20 0 BDADRP CCCC[N@H+](C)CCN[C@H]1C[NH2+]CC[C@@H]1C ZINC000422719459 387633082 /nfs/dbraw/zinc/63/30/82/387633082.db2.gz YEIBNUNKEXZUFT-STQMWFEESA-N 2 0 227.396 1.306 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccc(N(C)C)c1 ZINC000422721155 387633350 /nfs/dbraw/zinc/63/33/50/387633350.db2.gz UTFNKXSCDTVPAD-NWDGAFQWSA-N 2 0 235.375 1.968 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC[C@H](C)C[NH+]1CCCC1 ZINC000422720977 387633640 /nfs/dbraw/zinc/63/36/40/387633640.db2.gz NARVEVKYKJGRKB-AVGNSLFASA-N 2 0 227.396 1.434 20 0 BDADRP CC[NH+](CC)CCCN[C@H](C)C[C@@H](C)[NH3+] ZINC000422730176 387637705 /nfs/dbraw/zinc/63/77/05/387637705.db2.gz LSJXDBMHAIJMDH-VXGBXAGGSA-N 2 0 215.385 1.434 20 0 BDADRP COCCC[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422734672 387643668 /nfs/dbraw/zinc/64/36/68/387643668.db2.gz UQAIJBDBHYLJTK-OCCSQVGLSA-N 2 0 236.359 1.571 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000422736826 387645952 /nfs/dbraw/zinc/64/59/52/387645952.db2.gz GWSWPPDSHQTYEF-OCCSQVGLSA-N 2 0 236.359 1.307 20 0 BDADRP C[C@H](NCCC[NH+](C)C)c1c[nH+]ccc1N ZINC000422740944 387648529 /nfs/dbraw/zinc/64/85/29/387648529.db2.gz CQTNMXSYRFTMOW-JTQLQIEISA-N 2 0 222.336 1.096 20 0 BDADRP C[C@H](CN[C@@H](C)c1c[nH+]ccc1N)[NH+](C)C ZINC000422745674 387649143 /nfs/dbraw/zinc/64/91/43/387649143.db2.gz VLKFOADZNOEVLE-ZJUUUORDSA-N 2 0 222.336 1.095 20 0 BDADRP CCN1CCC([N@H+](C)CC2=CCCOC2)CC1 ZINC000125271917 387649974 /nfs/dbraw/zinc/64/99/74/387649974.db2.gz AQDQCZVVKOXDBK-UHFFFAOYSA-N 2 0 238.375 1.749 20 0 BDADRP COCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000149255040 387650157 /nfs/dbraw/zinc/65/01/57/387650157.db2.gz XGKDXODWOBUAQE-WDEREUQCSA-N 2 0 200.326 1.095 20 0 BDADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCO1 ZINC000422746150 387650649 /nfs/dbraw/zinc/65/06/49/387650649.db2.gz NLCNGWLWNIGZQL-AEGPPILISA-N 2 0 248.370 1.714 20 0 BDADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000125312222 387650975 /nfs/dbraw/zinc/65/09/75/387650975.db2.gz HVBZIGNNFXIUFM-TZMCWYRMSA-N 2 0 240.391 1.733 20 0 BDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)CCC[NH3+])C[C@H]1C ZINC000430799143 387651552 /nfs/dbraw/zinc/65/15/52/387651552.db2.gz APCDWZGBANJMME-VXGBXAGGSA-N 2 0 241.379 1.057 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c1ccccn1 ZINC000422748901 387652982 /nfs/dbraw/zinc/65/29/82/387652982.db2.gz WRKVDOKFYIYJKZ-GARJFASQSA-N 2 0 207.321 1.858 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccccc1 ZINC000422748161 387654118 /nfs/dbraw/zinc/65/41/18/387654118.db2.gz SHCUHOUMYXMPQV-FPMFFAJLSA-N 2 0 234.343 1.529 20 0 BDADRP CCCC[C@@H](COC)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422749840 387655354 /nfs/dbraw/zinc/65/53/54/387655354.db2.gz BCTOMCQACMIFHK-PWSUYJOCSA-N 2 0 214.353 1.389 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)CN1CCC[C@@H](C)C1 ZINC000422753279 387657715 /nfs/dbraw/zinc/65/77/15/387657715.db2.gz FZQJTFRXWMFCNN-RDBSUJKOSA-N 2 0 241.423 1.824 20 0 BDADRP C[NH+](C)C1(CN[C@@H]2CCC[C@H]2[NH3+])CCCCC1 ZINC000422754431 387657771 /nfs/dbraw/zinc/65/77/71/387657771.db2.gz JPBQLAYVDAAEJM-CHWSQXEVSA-N 2 0 239.407 1.720 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000422754421 387658285 /nfs/dbraw/zinc/65/82/85/387658285.db2.gz GZEKVJHDPAOWCL-NEPJUHHUSA-N 2 0 218.344 1.988 20 0 BDADRP C[C@H](NCC1([NH+](C)C)CCCCC1)C1C[NH2+]C1 ZINC000422753621 387658463 /nfs/dbraw/zinc/65/84/63/387658463.db2.gz ITIGZXXFYLISJZ-LBPRGKRZSA-N 2 0 239.407 1.448 20 0 BDADRP CC[C@H]([NH3+])C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000430887389 387659261 /nfs/dbraw/zinc/65/92/61/387659261.db2.gz FQMTYTKTCGXEMK-TUAOUCFPSA-N 2 0 241.379 1.103 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)CN1CCC[C@@H](C)C1 ZINC000422753277 387659452 /nfs/dbraw/zinc/65/94/52/387659452.db2.gz FZQJTFRXWMFCNN-MCIONIFRSA-N 2 0 241.423 1.824 20 0 BDADRP CSC[C@H](C)[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422756899 387661552 /nfs/dbraw/zinc/66/15/52/387661552.db2.gz MCIMTRNJFXBYKF-DCAQKATOSA-N 2 0 216.394 1.988 20 0 BDADRP CC[N@@H+]1CCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422759521 387663091 /nfs/dbraw/zinc/66/30/91/387663091.db2.gz PKCFATHUENIOKW-PIGZVRMJSA-N 2 0 237.391 1.343 20 0 BDADRP CCCC[C@H](COC)[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422761651 387663117 /nfs/dbraw/zinc/66/31/17/387663117.db2.gz RJVSAJFCVLFXOM-IJLUTSLNSA-N 2 0 216.369 1.907 20 0 BDADRP CC(C)[C@H](C)C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000422760689 387663544 /nfs/dbraw/zinc/66/35/44/387663544.db2.gz GYVKNACAFRDWLL-YVECIDJPSA-N 2 0 228.380 1.620 20 0 BDADRP CC(C)[NH+](CCN[C@@H]1C[NH2+]CC[C@H]1C)C(C)C ZINC000422760897 387663627 /nfs/dbraw/zinc/66/36/27/387663627.db2.gz QOLIZSAHPLEXKQ-ZIAGYGMSSA-N 2 0 241.423 1.693 20 0 BDADRP C[C@@H]([NH2+]CCSc1ccccc1)C1C[NH2+]C1 ZINC000422761395 387664108 /nfs/dbraw/zinc/66/41/08/387664108.db2.gz HORFIOFDSJYAPM-LLVKDONJSA-N 2 0 236.384 1.976 20 0 BDADRP CN(CCC[NH2+][C@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000422763479 387665093 /nfs/dbraw/zinc/66/50/93/387665093.db2.gz OSLAWVLVMDYTTL-CABCVRRESA-N 2 0 247.386 1.982 20 0 BDADRP CC[C@@H](COC)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422766795 387669099 /nfs/dbraw/zinc/66/90/99/387669099.db2.gz QGQSAUZIUPSYGS-CXQJBGSLSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1COc2ccccc2C1 ZINC000422775979 387671928 /nfs/dbraw/zinc/67/19/28/387671928.db2.gz CTSSMKVHYDBWSA-GVXVVHGQSA-N 2 0 234.343 1.706 20 0 BDADRP C[C@@H]1CCCC[N@@H+]1CCCN[C@H]1CCC[C@H]1[NH3+] ZINC000422774425 387673569 /nfs/dbraw/zinc/67/35/69/387673569.db2.gz WZFWKUGDTYCBDS-MCIONIFRSA-N 2 0 239.407 1.720 20 0 BDADRP CCN(Cc1nc(C(C)(C)[NH3+])no1)C1CCC1 ZINC000431079748 387675312 /nfs/dbraw/zinc/67/53/12/387675312.db2.gz JZZZEADIIVEZJU-UHFFFAOYSA-N 2 0 238.335 1.638 20 0 BDADRP CCCCOCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422780533 387678027 /nfs/dbraw/zinc/67/80/27/387678027.db2.gz KGJOSTVCRHLGDL-UHFFFAOYSA-N 2 0 228.380 1.910 20 0 BDADRP CC(C)COCCC[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422778734 387678059 /nfs/dbraw/zinc/67/80/59/387678059.db2.gz DXPMSUSROBPTGF-VXGBXAGGSA-N 2 0 216.369 1.765 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH2+]CC2)C12CCC2 ZINC000422779440 387678695 /nfs/dbraw/zinc/67/86/95/387678695.db2.gz ISXZPFKVGDOLKA-QWHCGFSZSA-N 2 0 238.375 1.676 20 0 BDADRP COC[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000126363952 387680403 /nfs/dbraw/zinc/68/04/03/387680403.db2.gz CZBKVARVXZXKDF-BXUZGUMPSA-N 2 0 238.375 1.485 20 0 BDADRP COC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)C(C)C ZINC000422781694 387680545 /nfs/dbraw/zinc/68/05/45/387680545.db2.gz MILHXGWNGFLXJQ-AVGNSLFASA-N 2 0 228.380 1.635 20 0 BDADRP COC[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)C(C)C ZINC000126363048 387680804 /nfs/dbraw/zinc/68/08/04/387680804.db2.gz OQFXKPBXWNCVBU-OCCSQVGLSA-N 2 0 240.391 1.731 20 0 BDADRP CCC[NH+]1CCC(N[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000422781139 387681071 /nfs/dbraw/zinc/68/10/71/387681071.db2.gz KLEOGUYBUDWRIY-VXGBXAGGSA-N 2 0 227.396 1.576 20 0 BDADRP CC(C)[C@H](O)CC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422780919 387681426 /nfs/dbraw/zinc/68/14/26/387681426.db2.gz KZCATSBKKSOJKA-JHJVBQTASA-N 2 0 228.380 1.501 20 0 BDADRP C[C@@H]([NH2+]CCc1cccc(F)c1)C1C[NH2+]C1 ZINC000422782307 387681433 /nfs/dbraw/zinc/68/14/33/387681433.db2.gz JTELBRZJIKBVIZ-SNVBAGLBSA-N 2 0 222.307 1.566 20 0 BDADRP CCC[NH+]1CCC(N[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000422786342 387686426 /nfs/dbraw/zinc/68/64/26/387686426.db2.gz QFFJGPCXXXMPTR-OLZOCXBDSA-N 2 0 225.380 1.330 20 0 BDADRP CC(C)[C@@H](O)CC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000422788117 387687429 /nfs/dbraw/zinc/68/74/29/387687429.db2.gz VGZBGBQAWVNOJL-RYUDHWBXSA-N 2 0 214.353 1.125 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)NCC1([NH+](C)C)CCCC1 ZINC000422788302 387689112 /nfs/dbraw/zinc/68/91/12/387689112.db2.gz RCBXESQDBZXKIE-VXGBXAGGSA-N 2 0 227.396 1.576 20 0 BDADRP CO[C@H](C[NH2+][C@@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000422743921 387691357 /nfs/dbraw/zinc/69/13/57/387691357.db2.gz VECHKGZNCLKQGB-SMDDNHRTSA-N 2 0 234.343 1.572 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H](O)Cc1ccccc1 ZINC000422743874 387691387 /nfs/dbraw/zinc/69/13/87/387691387.db2.gz SBJKNGHRDXAMTI-OUCADQQQSA-N 2 0 236.359 1.305 20 0 BDADRP CCCC[NH2+]C(C)(C)CN1CC[NH+](CC)CC1 ZINC000451992635 387692505 /nfs/dbraw/zinc/69/25/05/387692505.db2.gz UHLRGIUYAHHGTL-UHFFFAOYSA-N 2 0 241.423 1.792 20 0 BDADRP C[C@@H](CN[C@@H](C)C1C[NH2+]C1)[N@@H+]1CCCC[C@H]1C ZINC000422860300 387743504 /nfs/dbraw/zinc/74/35/04/387743504.db2.gz LIWCHEHGOKFIAX-AGIUHOORSA-N 2 0 239.407 1.447 20 0 BDADRP C[C@@H](CN[C@@H](C)C1C[NH2+]C1)[N@@H+]1CCCC[C@@H]1C ZINC000422860301 387743597 /nfs/dbraw/zinc/74/35/97/387743597.db2.gz LIWCHEHGOKFIAX-AVGNSLFASA-N 2 0 239.407 1.447 20 0 BDADRP COCC[C@@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422861000 387745063 /nfs/dbraw/zinc/74/50/63/387745063.db2.gz NMUPEBJRPDIANY-OUAUKWLOSA-N 2 0 200.326 1.142 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](CCCO)C1 ZINC000452117850 387746984 /nfs/dbraw/zinc/74/69/84/387746984.db2.gz IQBMBTLROCOSAB-UONOGXRCSA-N 2 0 240.391 1.565 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422868170 387748589 /nfs/dbraw/zinc/74/85/89/387748589.db2.gz UNGZQNWPYMNSAN-JHJVBQTASA-N 2 0 228.380 1.373 20 0 BDADRP COc1ccc(CC[C@H](C)[NH2+]C[C@@H](C)[NH3+])cc1 ZINC000643526248 387749078 /nfs/dbraw/zinc/74/90/78/387749078.db2.gz WDKDUQJFKYKHDV-NEPJUHHUSA-N 2 0 236.359 1.953 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2C[NH2+]CC[C@H]2C)C[N@@H+]1C1CC1 ZINC000422871872 387749608 /nfs/dbraw/zinc/74/96/08/387749608.db2.gz ZXQXANVCUAXFRP-NMKXLXIOSA-N 2 0 237.391 1.199 20 0 BDADRP C[C@]1(C[NH2+][C@H]2CCC[C@H]2[NH3+])CCCS1 ZINC000422871696 387750953 /nfs/dbraw/zinc/75/09/53/387750953.db2.gz DFGXKHRHGAZBKR-OUAUKWLOSA-N 2 0 214.378 1.742 20 0 BDADRP CC[C@@H]([NH2+][C@H](C)CCCO)[C@@H]1CCC[NH2+]1 ZINC000422874908 387751378 /nfs/dbraw/zinc/75/13/78/387751378.db2.gz OFLJTULDWGEPIP-UTUOFQBUSA-N 2 0 214.353 1.268 20 0 BDADRP CC(C)[N@H+](C)CCN[C@@H](C)c1c[nH+]ccc1N ZINC000422875070 387751848 /nfs/dbraw/zinc/75/18/48/387751848.db2.gz BNOULMWJULAZBG-NSHDSACASA-N 2 0 236.363 1.485 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@]1(C)CCCS1 ZINC000422873050 387753630 /nfs/dbraw/zinc/75/36/30/387753630.db2.gz JPWNHOBGPIPSTR-DCAQKATOSA-N 2 0 216.394 1.988 20 0 BDADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000422879896 387756643 /nfs/dbraw/zinc/75/66/43/387756643.db2.gz WBSISLKSWHPWSO-WVWOOGAGSA-N 2 0 237.391 1.186 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)CCCO)[C@H]1CCCC[NH2+]1 ZINC000422878424 387754051 /nfs/dbraw/zinc/75/40/51/387754051.db2.gz SZFQEZXVJQQKNT-QJPTWQEYSA-N 2 0 214.353 1.268 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC1(CCO)CCCC1 ZINC000422805382 387703241 /nfs/dbraw/zinc/70/32/41/387703241.db2.gz GOXCKWNAWKPVRE-VXGBXAGGSA-N 2 0 226.364 1.399 20 0 BDADRP COCc1ccc(C[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000422802225 387703573 /nfs/dbraw/zinc/70/35/73/387703573.db2.gz CZKYFQLRVHIBJH-LLVKDONJSA-N 2 0 234.343 1.531 20 0 BDADRP CC(C)CCC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000422806259 387704766 /nfs/dbraw/zinc/70/47/66/387704766.db2.gz NESQBVUSSQOWSI-YNEHKIRRSA-N 2 0 228.380 1.765 20 0 BDADRP CCC(CC)(CCO)C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000422806581 387705395 /nfs/dbraw/zinc/70/53/95/387705395.db2.gz IHKJZFYWSPESPV-STQMWFEESA-N 2 0 242.407 1.892 20 0 BDADRP CC[C@@H](NCC[NH+]1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000422810218 387708410 /nfs/dbraw/zinc/70/84/10/387708410.db2.gz MZTLIPFACYBUKD-KGLIPLIRSA-N 2 0 239.407 1.593 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCCn1cccn1 ZINC000422811541 387709350 /nfs/dbraw/zinc/70/93/50/387709350.db2.gz PCWYHJRGOJUBKW-STQMWFEESA-N 2 0 236.363 1.523 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCN(C)c1ccccc1 ZINC000422814778 387713464 /nfs/dbraw/zinc/71/34/64/387713464.db2.gz WBBIPPGBKFVHAV-STQMWFEESA-N 2 0 235.375 1.838 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CCc1cn2ccccc2n1 ZINC000422815837 387714495 /nfs/dbraw/zinc/71/44/95/387714495.db2.gz CQLRMVZEURBBLC-GFCCVEGCSA-N 2 0 246.358 1.594 20 0 BDADRP C([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C12CC(C1)CO2 ZINC000527790430 387714540 /nfs/dbraw/zinc/71/45/40/387714540.db2.gz OGEZLYQZONGGLN-QPPOZKHWSA-N 2 0 236.359 1.382 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000127491125 387716545 /nfs/dbraw/zinc/71/65/45/387716545.db2.gz HQXKSUSEKWSSAB-MCIONIFRSA-N 2 0 241.423 1.789 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1CCCSC1 ZINC000422820266 387717780 /nfs/dbraw/zinc/71/77/80/387717780.db2.gz PSSNENWBHBVAMP-IJLUTSLNSA-N 2 0 228.405 1.860 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cccc(CO)c1 ZINC000643522432 387718226 /nfs/dbraw/zinc/71/82/26/387718226.db2.gz NAOVSHFCERQLPY-IUODEOHRSA-N 2 0 248.370 1.972 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cccc(CO)c1 ZINC000643522431 387719076 /nfs/dbraw/zinc/71/90/76/387719076.db2.gz NAOVSHFCERQLPY-DOMZBBRYSA-N 2 0 248.370 1.972 20 0 BDADRP C[C@H]([NH2+]C[C@@]1(C)CCCC[C@H]1O)[C@H]1CCC[NH2+]1 ZINC000422826355 387720907 /nfs/dbraw/zinc/72/09/07/387720907.db2.gz QVOCRZRFVRNYCS-REWJHTLYSA-N 2 0 240.391 1.658 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCOCc1ccccc1 ZINC000422825000 387720922 /nfs/dbraw/zinc/72/09/22/387720922.db2.gz OVRAXVUOGNXEFO-QWHCGFSZSA-N 2 0 236.359 1.919 20 0 BDADRP CNC(=O)c1ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cc1 ZINC000422826426 387721026 /nfs/dbraw/zinc/72/10/26/387721026.db2.gz LKTGAVBAHWUGHI-WDEREUQCSA-N 2 0 249.358 1.262 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCCOC1CCCC1 ZINC000422829987 387722580 /nfs/dbraw/zinc/72/25/80/387722580.db2.gz QJILUEBQQMQREV-CHWSQXEVSA-N 2 0 226.364 1.805 20 0 BDADRP C[C@H]1C[C@@H](O)C[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000452069429 387722862 /nfs/dbraw/zinc/72/28/62/387722862.db2.gz MQWZCUKOGFWYLI-UONOGXRCSA-N 2 0 240.391 1.565 20 0 BDADRP C[C@H](N[C@H]1CCC[NH2+]CC1)[C@@H]1CCCC[NH2+]1 ZINC000643523063 387724026 /nfs/dbraw/zinc/72/40/26/387724026.db2.gz UXUCXIAEXMBRQL-AVGNSLFASA-N 2 0 225.380 1.249 20 0 BDADRP CCC[N@H+](CC)CCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000422828117 387724253 /nfs/dbraw/zinc/72/42/53/387724253.db2.gz SVVDCGCXIUNUDV-ZIAGYGMSSA-N 2 0 241.423 1.968 20 0 BDADRP CC(C)CC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000115548447 387725207 /nfs/dbraw/zinc/72/52/07/387725207.db2.gz QXBMSLXPVUFNPW-UHFFFAOYSA-N 2 0 242.407 1.811 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000422832315 387725804 /nfs/dbraw/zinc/72/58/04/387725804.db2.gz FPVPQORVWAHLCN-MQYQWHSLSA-N 2 0 239.407 1.447 20 0 BDADRP C[NH2+]C[C@H](C)CNC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000422832048 387725936 /nfs/dbraw/zinc/72/59/36/387725936.db2.gz UIVIGMHZXONVMQ-QWRGUYRKSA-N 2 0 249.358 1.292 20 0 BDADRP C[C@H]([NH2+]CCc1cc(F)ccc1F)C1C[NH2+]C1 ZINC000422834510 387726590 /nfs/dbraw/zinc/72/65/90/387726590.db2.gz ZRWJELQCVZQUHI-VIFPVBQESA-N 2 0 240.297 1.705 20 0 BDADRP COC1CCC(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000422841719 387731093 /nfs/dbraw/zinc/73/10/93/387731093.db2.gz WRSWCUZNNIEZQX-IALDZJHCSA-N 2 0 228.380 1.907 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000643523848 387733465 /nfs/dbraw/zinc/73/34/65/387733465.db2.gz BHRCSWZZHQFMBG-WFASDCNBSA-N 3 0 245.370 1.507 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422848223 387734643 /nfs/dbraw/zinc/73/46/43/387734643.db2.gz ANPOWYNTOGCRMZ-FRRDWIJNSA-N 2 0 228.380 1.645 20 0 BDADRP CCC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])CCC1 ZINC000422847147 387735544 /nfs/dbraw/zinc/73/55/44/387735544.db2.gz HLPHGTCHPUPFMG-JHJVBQTASA-N 2 0 240.391 1.909 20 0 BDADRP CC[N@H+](CCN[C@@H]1CCCC[C@@H]1C[NH3+])C(C)C ZINC000422878978 387755892 /nfs/dbraw/zinc/75/58/92/387755892.db2.gz LPEDEWGNDTXWPK-ZIAGYGMSSA-N 2 0 241.423 1.824 20 0 BDADRP CC[C@H]([NH2+][C@H]1C[C@H](OC)C1(C)C)[C@@H]1CCC[NH2+]1 ZINC000422852323 387737236 /nfs/dbraw/zinc/73/72/36/387737236.db2.gz QIUKZNMYXZHAGI-CYDGBPFRSA-N 2 0 240.391 1.920 20 0 BDADRP C[C@@H](NCC[N@@H+]1CCCC[C@H]1C)C1C[NH2+]C1 ZINC000422857399 387740042 /nfs/dbraw/zinc/74/00/42/387740042.db2.gz HIVKSHLLFYIYLF-VXGBXAGGSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cccnc1N(C)C ZINC000422856470 387740774 /nfs/dbraw/zinc/74/07/74/387740774.db2.gz GCOFBGUOILQQTL-NSHDSACASA-N 2 0 236.363 1.365 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]Cc1cccnc1N(C)C ZINC000422856468 387741469 /nfs/dbraw/zinc/74/14/69/387741469.db2.gz GCOFBGUOILQQTL-LLVKDONJSA-N 2 0 236.363 1.365 20 0 BDADRP C[C@@H](NCC[N@@H+]1CCCC[C@@H]1C)C1C[NH2+]C1 ZINC000422857397 387742124 /nfs/dbraw/zinc/74/21/24/387742124.db2.gz HIVKSHLLFYIYLF-NWDGAFQWSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@H](NCC[N@H+]1[C@H](C)CCC[C@@H]1C)C1C[NH2+]C1 ZINC000422892433 387763337 /nfs/dbraw/zinc/76/33/37/387763337.db2.gz YNYLHUIDMYPZCY-XQQFMLRXSA-N 2 0 239.407 1.447 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCOC1 ZINC000129107681 387764515 /nfs/dbraw/zinc/76/45/15/387764515.db2.gz DBNRQVQADPTEBZ-IGQOVBAYSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@H]([NH3+])C[NH2+]C1CCC(C(F)F)CC1 ZINC000643527955 387765642 /nfs/dbraw/zinc/76/56/42/387765642.db2.gz WCQCZPLJEUZFCX-UEJVZZJDSA-N 2 0 206.280 1.747 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(F)cn1 ZINC000422897505 387766701 /nfs/dbraw/zinc/76/67/01/387766701.db2.gz ZVUMFCCOGWAPEE-SNVBAGLBSA-N 2 0 225.311 1.828 20 0 BDADRP CC[C@@H](C)[N@H+](C)CCN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422904252 387767484 /nfs/dbraw/zinc/76/74/84/387767484.db2.gz GNCBGPRXOGLXKM-AGIUHOORSA-N 2 0 227.396 1.447 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@H](C)C[C@H](C)[NH3+] ZINC000422910129 387768479 /nfs/dbraw/zinc/76/84/79/387768479.db2.gz PVWLZNAGFHXQQP-TUAOUCFPSA-N 2 0 215.385 1.432 20 0 BDADRP C[C@H]([NH2+]CCCc1cccc(F)c1)C1C[NH2+]C1 ZINC000422910061 387769241 /nfs/dbraw/zinc/76/92/41/387769241.db2.gz PPARHIDAWVZSKK-NSHDSACASA-N 2 0 236.334 1.956 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422909505 387769355 /nfs/dbraw/zinc/76/93/55/387769355.db2.gz OEZNWYRHNOBTCS-MCIONIFRSA-N 2 0 239.407 1.591 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422909500 387769623 /nfs/dbraw/zinc/76/96/23/387769623.db2.gz OEZNWYRHNOBTCS-BFHYXJOUSA-N 2 0 239.407 1.591 20 0 BDADRP CC[N@@H+]1CCCC[C@H]1CN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000422909501 387769922 /nfs/dbraw/zinc/76/99/22/387769922.db2.gz OEZNWYRHNOBTCS-HZSPNIEDSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccccc1N(C)C ZINC000422913844 387771704 /nfs/dbraw/zinc/77/17/04/387771704.db2.gz QWYRDJHMQQNDEP-VXGBXAGGSA-N 2 0 235.375 1.968 20 0 BDADRP CCN1CCCC[C@H]1C[NH2+][C@H](C)CCC[NH3+] ZINC000422911901 387771913 /nfs/dbraw/zinc/77/19/13/387771913.db2.gz UUQKKKUQKRQNFT-OLZOCXBDSA-N 2 0 227.396 1.578 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCNC(=O)c1ccccc1 ZINC000422914072 387772134 /nfs/dbraw/zinc/77/21/34/387772134.db2.gz RKSZWYYXYQJKBD-NEPJUHHUSA-N 2 0 249.358 1.132 20 0 BDADRP C[C@H]([NH3+])C[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000643528744 387772742 /nfs/dbraw/zinc/77/27/42/387772742.db2.gz ODBDXVAKAAFHFI-UFBFGSQYSA-N 2 0 224.735 1.744 20 0 BDADRP C[C@@H](O)CC(C)(C)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422918720 387775004 /nfs/dbraw/zinc/77/50/04/387775004.db2.gz IMKGQFCGSNMSDY-JHJVBQTASA-N 2 0 242.407 1.904 20 0 BDADRP CC(C)C1(C[NH2+][C@H]2CCOC[C@H]2[C@H](C)[NH3+])CC1 ZINC000422919336 387775587 /nfs/dbraw/zinc/77/55/87/387775587.db2.gz JPUOQAONGWAHGR-AVGNSLFASA-N 2 0 240.391 1.765 20 0 BDADRP C[C@H](O)CC(C)(C)C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422921639 387775851 /nfs/dbraw/zinc/77/58/51/387775851.db2.gz OJNVIQBODHQDHY-AGIUHOORSA-N 2 0 242.407 1.761 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422926351 387779908 /nfs/dbraw/zinc/77/99/08/387779908.db2.gz WNIOBPKSTWNCAH-RWMBFGLXSA-N 2 0 228.380 1.787 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCC(C)(C)C ZINC000422925923 387780044 /nfs/dbraw/zinc/78/00/44/387780044.db2.gz BWUJKIULOOOYEQ-SDDRHHMPSA-N 2 0 228.380 1.765 20 0 BDADRP CCCC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])CC1 ZINC000422932514 387781694 /nfs/dbraw/zinc/78/16/94/387781694.db2.gz ZITDCBXMLWGBHF-JHJVBQTASA-N 2 0 240.391 1.909 20 0 BDADRP COC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])C1CC1 ZINC000422937542 387783540 /nfs/dbraw/zinc/78/35/40/387783540.db2.gz OFHOFLWDWSTUIJ-KKZNHRDASA-N 2 0 200.326 1.127 20 0 BDADRP c1cn(CCC[N@@H+]2CCCO[C@H]3CCC[C@@H]32)cn1 ZINC000378441121 387783917 /nfs/dbraw/zinc/78/39/17/387783917.db2.gz GVPJJLFMMHJEJB-KBPBESRZSA-N 2 0 249.358 1.917 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422901114 387784539 /nfs/dbraw/zinc/78/45/39/387784539.db2.gz BPTVCWJSMAWKDS-HZSPNIEDSA-N 2 0 241.423 1.694 20 0 BDADRP CO[C@@H](C)CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422900705 387785080 /nfs/dbraw/zinc/78/50/80/387785080.db2.gz JWYBTGXTGLAWRA-GARJFASQSA-N 2 0 200.326 1.142 20 0 BDADRP CCc1nc(CC[NH2+][C@@H]2CCC[C@@H]2[NH3+])cs1 ZINC000422903376 387787171 /nfs/dbraw/zinc/78/71/71/387787171.db2.gz OLFMJCTYXSERLQ-WDEREUQCSA-N 2 0 239.388 1.717 20 0 BDADRP CCOCC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422902169 387787575 /nfs/dbraw/zinc/78/75/75/387787575.db2.gz TXNAAWZBKFVTDT-WDEREUQCSA-N 2 0 200.326 1.001 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422979108 387790212 /nfs/dbraw/zinc/79/02/12/387790212.db2.gz LHQSOFBGXOUETK-AVGNSLFASA-N 2 0 228.380 1.658 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@](C)(O)C1CC1 ZINC000422982435 387794678 /nfs/dbraw/zinc/79/46/78/387794678.db2.gz WTQBQBZXBKCTEM-RAIGVLPGSA-N 2 0 226.364 1.125 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC[C@@H]1CCCOC1 ZINC000527931579 387794928 /nfs/dbraw/zinc/79/49/28/387794928.db2.gz SZBITTKMMQBHFW-RDBSUJKOSA-N 2 0 240.391 1.733 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000422964322 387813093 /nfs/dbraw/zinc/81/30/93/387813093.db2.gz LISFVMBNAJVMEE-QWHCGFSZSA-N 2 0 227.396 1.304 20 0 BDADRP CSCC[C@@H](CO)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422989424 387797268 /nfs/dbraw/zinc/79/72/68/387797268.db2.gz LPCFEQLTQQCGBI-MCIGGMRASA-N 2 0 246.420 1.208 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@H](CO)c1ccccc1 ZINC000422989250 387797302 /nfs/dbraw/zinc/79/73/02/387797302.db2.gz AOVPDNSIVZMDCJ-MCIONIFRSA-N 2 0 234.343 1.232 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCC(C)(C)CO ZINC000422989720 387798824 /nfs/dbraw/zinc/79/88/24/387798824.db2.gz BGEWDJPQRQCFMH-STQMWFEESA-N 2 0 242.407 1.763 20 0 BDADRP C[C@@H]([NH2+]CC1(CCO)CCC1)[C@@H]1CCCC[NH2+]1 ZINC000422991830 387799923 /nfs/dbraw/zinc/79/99/23/387799923.db2.gz QEIVMLVFRSECMT-OLZOCXBDSA-N 2 0 240.391 1.659 20 0 BDADRP CC[C@H]([NH2+]CC1(CCOC)CC1)[C@@H]1CCC[NH2+]1 ZINC000422991838 387800554 /nfs/dbraw/zinc/80/05/54/387800554.db2.gz QFHRGCIGXFNFER-STQMWFEESA-N 2 0 240.391 1.923 20 0 BDADRP CCOCCC1(C[NH2+][C@H]2CCC[C@H]2[NH3+])CC1 ZINC000423002792 387803302 /nfs/dbraw/zinc/80/33/02/387803302.db2.gz JSEDVMCTARTOLN-NEPJUHHUSA-N 2 0 226.364 1.663 20 0 BDADRP Cc1ccccc1OCC[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422949132 387806529 /nfs/dbraw/zinc/80/65/29/387806529.db2.gz SXEAOARCCSPUHE-OLZOCXBDSA-N 2 0 234.343 1.843 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCNc1ccccn1 ZINC000423001947 387806825 /nfs/dbraw/zinc/80/68/25/387806825.db2.gz FJARAAIDSJSRCF-STQMWFEESA-N 2 0 248.374 1.601 20 0 BDADRP Fc1cccc(OCC[NH2+]C2CC[NH2+]CC2)c1 ZINC000422949625 387807112 /nfs/dbraw/zinc/80/71/12/387807112.db2.gz UPCFOVQMJFJTKD-UHFFFAOYSA-N 2 0 238.306 1.546 20 0 BDADRP CC1(C)C[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422954435 387809433 /nfs/dbraw/zinc/80/94/33/387809433.db2.gz IRUWPBVSAJBHAR-WSMDXJOWSA-N 2 0 208.349 1.905 20 0 BDADRP CC[C@@H](NCC[N@H+](C)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000422880874 387757516 /nfs/dbraw/zinc/75/75/16/387757516.db2.gz PEAXIEQMZNPQPA-OLZOCXBDSA-N 2 0 227.396 1.447 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000422880749 387758322 /nfs/dbraw/zinc/75/83/22/387758322.db2.gz MPRPYXMGHDRKQI-RVMXOQNASA-N 2 0 225.380 1.329 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1CCCS1 ZINC000422881239 387758459 /nfs/dbraw/zinc/75/84/59/387758459.db2.gz YKGOECCRRMITJM-IJLUTSLNSA-N 2 0 228.405 1.860 20 0 BDADRP CCOc1cccc(C[NH2+][C@@H](C)C2C[NH2+]C2)c1 ZINC000422881633 387758596 /nfs/dbraw/zinc/75/85/96/387758596.db2.gz QVUJEZUXWXKWMJ-NSHDSACASA-N 2 0 234.343 1.783 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000422887895 387760010 /nfs/dbraw/zinc/76/00/10/387760010.db2.gz LPWKZSLJCCYRNH-IGQOVBAYSA-N 2 0 241.423 1.965 20 0 BDADRP Cc1cnc(CC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cn1 ZINC000564074249 387820544 /nfs/dbraw/zinc/82/05/44/387820544.db2.gz JNLSRLDQHHRVEM-ZIAGYGMSSA-N 2 0 248.374 1.577 20 0 BDADRP CCC(C)(C)C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000423070486 387872908 /nfs/dbraw/zinc/87/29/08/387872908.db2.gz CVBYEHVOZLAHST-GRYCIOLGSA-N 2 0 228.380 1.765 20 0 BDADRP CCC(O)(CC)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422971397 387822049 /nfs/dbraw/zinc/82/20/49/387822049.db2.gz IPTKVHMEGMOISH-UHFFFAOYSA-N 2 0 228.380 1.645 20 0 BDADRP CCC[N@@H+]1CC[C@H](CN[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422974473 387824039 /nfs/dbraw/zinc/82/40/39/387824039.db2.gz RCEZBMWNDJREJI-MGPQQGTHSA-N 2 0 239.407 1.435 20 0 BDADRP CCC[N@@H+]1CC[C@H](CN[C@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000422975084 387824060 /nfs/dbraw/zinc/82/40/60/387824060.db2.gz SHROYWZXLZCQRG-MGPQQGTHSA-N 2 0 239.407 1.448 20 0 BDADRP CCC[N@@H+]1CC[C@@H](CN[C@@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000422975083 387824152 /nfs/dbraw/zinc/82/41/52/387824152.db2.gz SHROYWZXLZCQRG-MELADBBJSA-N 2 0 239.407 1.448 20 0 BDADRP COC[C@@H](C)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567110351 387824600 /nfs/dbraw/zinc/82/46/00/387824600.db2.gz AEODSVSDQFAYOH-QWHCGFSZSA-N 2 0 226.364 1.344 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000423004630 387825438 /nfs/dbraw/zinc/82/54/38/387825438.db2.gz KKGZGVCRNHRRBL-SYQHCUMBSA-N 2 0 240.391 1.515 20 0 BDADRP COc1cccc(CC[NH2+][C@@H](C)C[C@@H](C)[NH3+])n1 ZINC000423005027 387827173 /nfs/dbraw/zinc/82/71/73/387827173.db2.gz LMTJHSRFCARNSM-MNOVXSKESA-N 2 0 237.347 1.348 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCc1c[nH]c2ncccc12 ZINC000423005606 387827980 /nfs/dbraw/zinc/82/79/80/387827980.db2.gz SKYLTZIALDKPDY-QWHCGFSZSA-N 2 0 244.342 1.575 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)Cc1ccoc1 ZINC000423007990 387832108 /nfs/dbraw/zinc/83/21/08/387832108.db2.gz SCZIFNUHBGQEMO-MNOVXSKESA-N 2 0 210.321 1.928 20 0 BDADRP CCc1noc(C)c1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442752678 387833948 /nfs/dbraw/zinc/83/39/48/387833948.db2.gz FGTAVSBSJXBWSL-MWLCHTKSSA-N 2 0 237.347 1.715 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[C@H](O)C1)[C@@H]1CCCC[NH2+]1 ZINC000423010103 387834599 /nfs/dbraw/zinc/83/45/99/387834599.db2.gz WYYTUBNNADSIGZ-XUXIUFHCSA-N 2 0 240.391 1.658 20 0 BDADRP Cc1cnccc1CC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000423012554 387835311 /nfs/dbraw/zinc/83/53/11/387835311.db2.gz KWNLIQCRHOQURD-WFASDCNBSA-N 2 0 247.386 1.910 20 0 BDADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1(CO)CC1 ZINC000643459237 387836534 /nfs/dbraw/zinc/83/65/34/387836534.db2.gz AOYXMERDMBDUFJ-TZMCWYRMSA-N 2 0 248.370 1.307 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000423073291 387873493 /nfs/dbraw/zinc/87/34/93/387873493.db2.gz ILRJBRDONHMLGS-STQMWFEESA-N 2 0 241.423 1.824 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000423015246 387837827 /nfs/dbraw/zinc/83/78/27/387837827.db2.gz QOEORXVTPXHPSZ-XQQFMLRXSA-N 2 0 228.380 1.645 20 0 BDADRP CC[C@H]([NH2+][C@H](C)CCC[NH3+])[C@H](O)C(F)(F)F ZINC000423015967 387839205 /nfs/dbraw/zinc/83/92/05/387839205.db2.gz ARQZSJISWJPFDL-VGMNWLOBSA-N 2 0 242.285 1.405 20 0 BDADRP CC[C@H](CSC)[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423018494 387841861 /nfs/dbraw/zinc/84/18/61/387841861.db2.gz RFIXSBRTTJGAIV-OPRDCNLKSA-N 2 0 204.383 1.843 20 0 BDADRP C[C@H]1[C@@H]([NH2+]C2CCC([NH3+])CC2)CCCN1C ZINC000423026200 387842826 /nfs/dbraw/zinc/84/28/26/387842826.db2.gz AYNIZMOYWOHTFY-WTIISPKJSA-N 2 0 225.380 1.329 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@H](O)CCc1ccccc1 ZINC000423026163 387843911 /nfs/dbraw/zinc/84/39/11/387843911.db2.gz AUSUGHWISPWTIG-RBSFLKMASA-N 2 0 248.370 1.450 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC[C@H]1CCCO1 ZINC000643459639 387847030 /nfs/dbraw/zinc/84/70/30/387847030.db2.gz IGSIEAZUTOMHQG-UPJWGTAASA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000423032677 387849098 /nfs/dbraw/zinc/84/90/98/387849098.db2.gz MYQJUZHBYVZMLA-XJFOESAGSA-N 2 0 240.391 1.922 20 0 BDADRP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H](C)C2C[NH2+]C2)CCO1 ZINC000423039930 387854046 /nfs/dbraw/zinc/85/40/46/387854046.db2.gz GFRFJGXFGOJQHH-IACUBPJLSA-N 2 0 240.391 1.778 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCC[C@@H]1CCCCO1 ZINC000423042067 387855206 /nfs/dbraw/zinc/85/52/06/387855206.db2.gz YLDFHCXURYIWRD-XQQFMLRXSA-N 2 0 226.364 1.805 20 0 BDADRP C[N@H+]1C[C@H]2CN(CCOc3ccccc3)C[C@H]2C1 ZINC000193640724 387860000 /nfs/dbraw/zinc/86/00/00/387860000.db2.gz LWLKBRPMSDMSOL-OKILXGFUSA-N 2 0 246.354 1.559 20 0 BDADRP C[C@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])C(F)(F)F ZINC000423053181 387861126 /nfs/dbraw/zinc/86/11/26/387861126.db2.gz RGKBWHHBNPCOME-VGMNWLOBSA-N 2 0 224.270 1.902 20 0 BDADRP C[C@@H](O)CCC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000433080253 387861398 /nfs/dbraw/zinc/86/13/98/387861398.db2.gz ASKGRZNVWFRLTD-GFCCVEGCSA-N 2 0 242.407 2.000 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](CCO)c1ccco1 ZINC000423055953 387862122 /nfs/dbraw/zinc/86/21/22/387862122.db2.gz XHFYWTOULOTGIC-RYUDHWBXSA-N 2 0 240.347 1.810 20 0 BDADRP CC(C)O[C@H]1C[C@@H]([NH2+]C2CC[NH2+]CC2)C1(C)C ZINC000423053974 387863003 /nfs/dbraw/zinc/86/30/03/387863003.db2.gz TZCVTJZCWPPDLH-OLZOCXBDSA-N 2 0 240.391 1.920 20 0 BDADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643536756 387863205 /nfs/dbraw/zinc/86/32/05/387863205.db2.gz WHECPWZGGISSNK-KWCYVHTRSA-N 2 0 249.402 1.201 20 0 BDADRP Cc1ccccc1C[C@@H](CO)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000423053220 387863653 /nfs/dbraw/zinc/86/36/53/387863653.db2.gz AAOGWJNCYJAHIO-DOMZBBRYSA-N 2 0 248.370 1.096 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@@H]1CCO ZINC000423059217 387864655 /nfs/dbraw/zinc/86/46/55/387864655.db2.gz FIHJZLVYPXSGDJ-RFGFWPKPSA-N 2 0 240.391 1.645 20 0 BDADRP C[NH+](C)C1(CN[C@H]2CCCCC[C@@H]2[NH3+])CCC1 ZINC000423059076 387866115 /nfs/dbraw/zinc/86/61/15/387866115.db2.gz KZKYYYBPETXQRN-STQMWFEESA-N 2 0 239.407 1.720 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643536423 387867112 /nfs/dbraw/zinc/86/71/12/387867112.db2.gz QSBOSGMPWDYXEK-JHJVBQTASA-N 3 0 237.391 1.378 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12)[C@H]1CCCC[NH2+]1 ZINC000423062122 387867316 /nfs/dbraw/zinc/86/73/16/387867316.db2.gz SMKNEUGHOXZNDK-QNSTZXKLSA-N 2 0 238.375 1.674 20 0 BDADRP CC(C)[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])C(C)(C)O ZINC000423068268 387869436 /nfs/dbraw/zinc/86/94/36/387869436.db2.gz BIZMPDLJWWTZGG-VWYCJHECSA-N 2 0 216.369 1.497 20 0 BDADRP CO[C@@H]1CC[C@H]([NH2+][C@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000423071791 387872006 /nfs/dbraw/zinc/87/20/06/387872006.db2.gz OVZLSVOYCDHDQP-RVMXOQNASA-N 2 0 226.364 1.532 20 0 BDADRP CC(C)[N@@H+](C)CCCN[C@@H](C)C[C@H](C)[NH3+] ZINC000422963149 387814342 /nfs/dbraw/zinc/81/43/42/387814342.db2.gz HRPIBUXEQUJDNJ-RYUDHWBXSA-N 2 0 215.385 1.432 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCc1ccc(CO)cc1 ZINC000643478218 387815835 /nfs/dbraw/zinc/81/58/35/387815835.db2.gz FVMHSBAQQWTISF-ZIAGYGMSSA-N 2 0 234.343 1.191 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1ccccc1O ZINC000422967222 387816800 /nfs/dbraw/zinc/81/68/00/387816800.db2.gz BSSWQIHBADUVSM-JSGCOSHPSA-N 2 0 248.370 1.912 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000422969256 387818258 /nfs/dbraw/zinc/81/82/58/387818258.db2.gz ZIULBFXMUZZKFW-KBPBESRZSA-N 2 0 241.423 1.966 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000422969731 387819578 /nfs/dbraw/zinc/81/95/78/387819578.db2.gz DKACSLRJIUZNGR-XUXIUFHCSA-N 2 0 238.375 1.685 20 0 BDADRP C[N@H+]1C[C@@H]2C[NH+](C[C@@H]3CC=CCC3)C[C@@H]2C1 ZINC000194539432 387890559 /nfs/dbraw/zinc/89/05/59/387890559.db2.gz MCZKIKLFKAQWFA-MCIONIFRSA-N 2 0 220.360 1.836 20 0 BDADRP OC1CCC([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000236486321 387891249 /nfs/dbraw/zinc/89/12/49/387891249.db2.gz BYYJGGBDYQOCLF-DCBWTQNWSA-N 2 0 238.375 1.364 20 0 BDADRP CC[C@](C)(C[NH2+]C[C@H]1CCC[N@H+](C)C1)OC ZINC000322502271 387876164 /nfs/dbraw/zinc/87/61/64/387876164.db2.gz GKXVQPKNXTUNFX-CHWSQXEVSA-N 2 0 228.380 1.733 20 0 BDADRP CC[C@H](NC[C@@H](C)[NH+](CC)CC)[C@@H]1CCC[NH2+]1 ZINC000423081063 387876652 /nfs/dbraw/zinc/87/66/52/387876652.db2.gz AZFCORZZDCXFCA-RDBSUJKOSA-N 2 0 241.423 1.837 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@H]1CC[NH2+]CC[C@H]1C ZINC000423083193 387878403 /nfs/dbraw/zinc/87/84/03/387878403.db2.gz FMYJULMJNQJKGA-MCIONIFRSA-N 2 0 241.423 1.694 20 0 BDADRP CSC1(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000423082705 387878574 /nfs/dbraw/zinc/87/85/74/387878574.db2.gz FPWRWKBSWNBVCS-QWRGUYRKSA-N 2 0 228.405 1.860 20 0 BDADRP CCN(CC)[C@H](C)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000423089353 387880466 /nfs/dbraw/zinc/88/04/66/387880466.db2.gz UXPPWWYGZMENQR-IYXRBSQSSA-N 2 0 241.423 1.824 20 0 BDADRP CCN(CC)[C@H](C)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000423085816 387880619 /nfs/dbraw/zinc/88/06/19/387880619.db2.gz LJKMBAHEHDUCPJ-QWHCGFSZSA-N 2 0 229.412 1.824 20 0 BDADRP CSC1(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])CCC1 ZINC000423087717 387880635 /nfs/dbraw/zinc/88/06/35/387880635.db2.gz OTOHXJGDQCNQEV-ZJUUUORDSA-N 2 0 216.394 1.988 20 0 BDADRP CCO[C@@H](C[NH2+][C@@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000423086172 387880807 /nfs/dbraw/zinc/88/08/07/387880807.db2.gz LLVRRZGDAJOHML-WFASDCNBSA-N 2 0 248.370 1.962 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCN1CC=CCC1 ZINC000423092570 387882800 /nfs/dbraw/zinc/88/28/00/387882800.db2.gz CKECKUNGSWDBOS-ZIAGYGMSSA-N 2 0 237.391 1.498 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H](CO)CCC(C)(C)C ZINC000423092826 387883193 /nfs/dbraw/zinc/88/31/93/387883193.db2.gz DOVMMHRATIAQHZ-VXGBXAGGSA-N 2 0 230.396 1.891 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H](CO)CC1CCCC1 ZINC000423093716 387884522 /nfs/dbraw/zinc/88/45/22/387884522.db2.gz AEJFMFGHJBAZPX-OCCSQVGLSA-N 2 0 242.407 1.892 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](CO)CCC(C)(C)C ZINC000423099890 387886329 /nfs/dbraw/zinc/88/63/29/387886329.db2.gz UOFJQFOHSOVHNM-SRVKXCTJSA-N 2 0 230.396 1.889 20 0 BDADRP C(CC[NH2+]C1CC[NH2+]CC1)CC[NH+]1CCCC1 ZINC000423140730 387918260 /nfs/dbraw/zinc/91/82/60/387918260.db2.gz ZJGAJNIFFJNPJM-UHFFFAOYSA-N 3 0 239.407 1.594 20 0 BDADRP CO[C@H]1CCCC[C@@H]1[NH2+][C@H](C)C1C[NH2+]C1 ZINC000423118001 387899246 /nfs/dbraw/zinc/89/92/46/387899246.db2.gz YBEIFGLXSUAMHU-USWWRNFRSA-N 2 0 212.337 1.142 20 0 BDADRP OC[C@@H](CC1CCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423122437 387903251 /nfs/dbraw/zinc/90/32/51/387903251.db2.gz CEVZMMNMMPAUGI-QNMSZWNNSA-N 2 0 238.375 1.410 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000423124459 387903724 /nfs/dbraw/zinc/90/37/24/387903724.db2.gz MJWAAWVDCHWBON-MELADBBJSA-N 2 0 242.407 1.892 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CCCCC[C@H]1[NH3+])C1CC1 ZINC000423126074 387904769 /nfs/dbraw/zinc/90/47/69/387904769.db2.gz APFCDQNFECNUPZ-FRRDWIJNSA-N 2 0 226.364 1.661 20 0 BDADRP COc1ccncc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000423127128 387905656 /nfs/dbraw/zinc/90/56/56/387905656.db2.gz JIJPPLHBUACAPM-PWSUYJOCSA-N 2 0 235.331 1.307 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](CO)CC1CCC1 ZINC000423130153 387906597 /nfs/dbraw/zinc/90/65/97/387906597.db2.gz MOXQEZIWFNJWIA-UMNHJUIQSA-N 2 0 214.353 1.253 20 0 BDADRP CCc1noc(C)c1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000423129492 387907335 /nfs/dbraw/zinc/90/73/35/387907335.db2.gz FCIQETFRGCCZDZ-GWCFXTLKSA-N 2 0 237.347 1.762 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1COc2ccccc21 ZINC000423129611 387908023 /nfs/dbraw/zinc/90/80/23/387908023.db2.gz XGJSLCAZMGDVPJ-SRVKXCTJSA-N 2 0 234.343 1.878 20 0 BDADRP CCC[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+])OC ZINC000423144170 387919549 /nfs/dbraw/zinc/91/95/49/387919549.db2.gz GFGWTFPZTBVXAY-QNWHQSFQSA-N 2 0 244.379 1.143 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000423131421 387909618 /nfs/dbraw/zinc/90/96/18/387909618.db2.gz SVMGAPUCXBKICZ-ZDEQEGDKSA-N 2 0 228.380 1.501 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@H](F)C1 ZINC000423135928 387913217 /nfs/dbraw/zinc/91/32/17/387913217.db2.gz YKHIEJRUXKDHDS-BJDJZHNGSA-N 2 0 214.328 1.984 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000423151252 387929620 /nfs/dbraw/zinc/92/96/20/387929620.db2.gz CEZKPZRAOFFUHZ-NDBYEHHHSA-N 2 0 226.364 1.255 20 0 BDADRP CC[C@H]([NH2+]CCC[C@@H]1CCOC1)[C@@H]1CCC[NH2+]1 ZINC000423151439 387930170 /nfs/dbraw/zinc/93/01/70/387930170.db2.gz DEWWFGUAVIAPQU-RDBSUJKOSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)CC(C)(C)O)[C@H]1CCCC[NH2+]1 ZINC000423153071 387932806 /nfs/dbraw/zinc/93/28/06/387932806.db2.gz GAYVGDNKEFPNLM-QJPTWQEYSA-N 2 0 228.380 1.656 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC(C)(C)C(C)(C)O ZINC000423155701 387933845 /nfs/dbraw/zinc/93/38/45/387933845.db2.gz LIIOAYCKNHOFDW-VXGBXAGGSA-N 2 0 242.407 1.761 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000423155992 387934094 /nfs/dbraw/zinc/93/40/94/387934094.db2.gz KJTCLAPGLDPNNC-JHJVBQTASA-N 2 0 228.380 1.373 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000423154839 387934599 /nfs/dbraw/zinc/93/45/99/387934599.db2.gz KDEIHARKUHFWGZ-KKOKHZNYSA-N 2 0 214.353 1.253 20 0 BDADRP CC[C@H](C)[C@H](C[NH2+][C@H](C)C[C@@H](C)[NH3+])OC ZINC000423155051 387935090 /nfs/dbraw/zinc/93/50/90/387935090.db2.gz ISMSACMNQKXLFJ-QCNOEVLYSA-N 2 0 216.369 1.763 20 0 BDADRP CCC[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)OC ZINC000423142696 387921159 /nfs/dbraw/zinc/92/11/59/387921159.db2.gz BFMPDWANDRQTTK-UPJWGTAASA-N 2 0 228.380 1.779 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCC[C@H]1F ZINC000423145071 387923792 /nfs/dbraw/zinc/92/37/92/387923792.db2.gz IYMGIZSQADOHFC-MXWKQRLJSA-N 2 0 202.317 1.984 20 0 BDADRP CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000423168116 387952433 /nfs/dbraw/zinc/95/24/33/387952433.db2.gz GSZUAXDHCUFGQU-MEBFFEOJSA-N 2 0 240.391 1.763 20 0 BDADRP CCOC(=O)CCCC[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424284709 387953159 /nfs/dbraw/zinc/95/31/59/387953159.db2.gz DRVJNTZZBCOJLZ-VXGBXAGGSA-N 2 0 242.363 1.579 20 0 BDADRP CC[C@@H](C)C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000245528383 387955750 /nfs/dbraw/zinc/95/57/50/387955750.db2.gz DVXYWQZCEJVORA-KGLIPLIRSA-N 2 0 242.407 1.859 20 0 BDADRP COCC[C@H](C)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423171411 387956050 /nfs/dbraw/zinc/95/60/50/387956050.db2.gz OITYWNWIDJJVBT-YNEHKIRRSA-N 2 0 228.380 1.779 20 0 BDADRP Cc1ccc(CC[NH2+][C@H]2CCC[C@H]2[NH3+])nc1 ZINC000423158825 387938871 /nfs/dbraw/zinc/93/88/71/387938871.db2.gz DNMXTBLACVNNDO-OLZOCXBDSA-N 2 0 219.332 1.402 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000423158762 387939496 /nfs/dbraw/zinc/93/94/96/387939496.db2.gz DFBZLVUDGNMGNN-NXEZZACHSA-N 2 0 218.291 1.891 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000423158608 387939679 /nfs/dbraw/zinc/93/96/79/387939679.db2.gz OIQPJEOKJAKADD-UPJWGTAASA-N 2 0 228.380 1.645 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000423158422 387939799 /nfs/dbraw/zinc/93/97/99/387939799.db2.gz WSYPEUIDKOUVIX-JWURUJNWSA-N 2 0 237.391 1.199 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCC(C)(C)CO ZINC000423160026 387940716 /nfs/dbraw/zinc/94/07/16/387940716.db2.gz QHNVXTRJGNNUSU-VXGBXAGGSA-N 2 0 228.380 1.373 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)O1 ZINC000423162384 387944291 /nfs/dbraw/zinc/94/42/91/387944291.db2.gz KXZTYCDMXMFVCE-LPWJVIDDSA-N 2 0 226.364 1.532 20 0 BDADRP COCC[C@@H](C)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423171407 387956251 /nfs/dbraw/zinc/95/62/51/387956251.db2.gz OITYWNWIDJJVBT-JHJVBQTASA-N 2 0 228.380 1.779 20 0 BDADRP CCN(C)C(=O)[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])C(C)C ZINC000423163985 387945783 /nfs/dbraw/zinc/94/57/83/387945783.db2.gz WIQCOMIWYQCKDX-SRVKXCTJSA-N 2 0 243.395 1.205 20 0 BDADRP C[NH+](C)C[C@H]1CC[N@H+](CCC[C@@H]2CCOC2)C1 ZINC000645802430 387946554 /nfs/dbraw/zinc/94/65/54/387946554.db2.gz MVTPCVHTVDMUBU-ZIAGYGMSSA-N 2 0 240.391 1.687 20 0 BDADRP C([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)[C@H]1CCCO1 ZINC000423165530 387947918 /nfs/dbraw/zinc/94/79/18/387947918.db2.gz YIWPBXNRFNDZNT-YIYPIFLZSA-N 2 0 238.375 1.676 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H](O)C1CCC1 ZINC000423165721 387948521 /nfs/dbraw/zinc/94/85/21/387948521.db2.gz QEVVMHUCPSCKPZ-RTXFEEFZSA-N 2 0 226.364 1.125 20 0 BDADRP COCC1(C[NH2+][C@@H](C)C2C[NH2+]C2)CCCC1 ZINC000423165029 387948728 /nfs/dbraw/zinc/94/87/28/387948728.db2.gz PJCRMAWFVNWDFE-NSHDSACASA-N 2 0 226.364 1.391 20 0 BDADRP C[C@@H]([NH2+]C[C@@H](C)CCCO)[C@@H]1CCCC[NH2+]1 ZINC000423166000 387949428 /nfs/dbraw/zinc/94/94/28/387949428.db2.gz YSWSZXKZAQTCKQ-XQQFMLRXSA-N 2 0 228.380 1.515 20 0 BDADRP COc1cccc2c1C[C@H]([NH2+][C@@H]1CCC[C@H]1[NH3+])C2 ZINC000423170911 387956385 /nfs/dbraw/zinc/95/63/85/387956385.db2.gz NDEKUZZXBKJJLT-MRVWCRGKSA-N 2 0 246.354 1.632 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])C12CCC2 ZINC000423170295 387958217 /nfs/dbraw/zinc/95/82/17/387958217.db2.gz LOERFLUXBFCNFU-FIQHERPVSA-N 2 0 226.364 1.659 20 0 BDADRP COCC[C@H](C)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000423171947 387959616 /nfs/dbraw/zinc/95/96/16/387959616.db2.gz QOUZSYQCTLCITN-RYUDHWBXSA-N 2 0 216.369 1.766 20 0 BDADRP COCC[C@H](C)C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000423172456 387959621 /nfs/dbraw/zinc/95/96/21/387959621.db2.gz SYZYMNWRSYNGIA-YNEHKIRRSA-N 2 0 228.380 1.637 20 0 BDADRP C[C@H]([NH2+]C1(C2CCC2)CCC1)C1C[NH2+]C1 ZINC000423171609 387959624 /nfs/dbraw/zinc/95/96/24/387959624.db2.gz PDZCGWSLSMHMGS-JTQLQIEISA-N 2 0 208.349 1.907 20 0 BDADRP CC[C@@H](C)C[N@H+]1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424302644 387962467 /nfs/dbraw/zinc/96/24/67/387962467.db2.gz YAIBZCQTWKNWNH-KGYLQXTDSA-N 2 0 236.363 1.193 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1NCC1([NH3+])CCCCC1 ZINC000423176578 387962689 /nfs/dbraw/zinc/96/26/89/387962689.db2.gz HACKYRJCXKXSHJ-VXGBXAGGSA-N 2 0 225.380 1.365 20 0 BDADRP C[C@]12C[C@H]1CCC[C@@H]2[NH2+]C1CC[NH2+]CC1 ZINC000423179174 387966298 /nfs/dbraw/zinc/96/62/98/387966298.db2.gz HHKIXEUTIWHDIZ-WXHSDQCUSA-N 2 0 208.349 1.907 20 0 BDADRP COCC1CCC([NH2+][C@H](C)CCC[NH3+])CC1 ZINC000423180316 387966660 /nfs/dbraw/zinc/96/66/60/387966660.db2.gz KPKQREWFBSAHSM-PNESKVBLSA-N 2 0 228.380 1.909 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCCC[C@H]1F ZINC000423184938 387969211 /nfs/dbraw/zinc/96/92/11/387969211.db2.gz NPUWUWNYYDTAOJ-QJPTWQEYSA-N 2 0 232.343 1.611 20 0 BDADRP CC[C@@H]1CC[C@@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423188036 387970850 /nfs/dbraw/zinc/97/08/50/387970850.db2.gz PNNHZWYMPJSGFX-OLZOCXBDSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)[C@H]1CCC[NH2+]1 ZINC000423170880 387957845 /nfs/dbraw/zinc/95/78/45/387957845.db2.gz NAEWIVHUIZEIFZ-BFHYXJOUSA-N 3 0 239.407 1.448 20 0 BDADRP CC(C)(C[NH3+])c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000424336560 387979223 /nfs/dbraw/zinc/97/92/23/387979223.db2.gz JGSOVMOEOPQDRW-UHFFFAOYSA-N 2 0 246.314 1.432 20 0 BDADRP [NH3+]C1(c2noc([C@@H]3CC[NH2+]C3)n2)CCCCC1 ZINC000424338079 387980488 /nfs/dbraw/zinc/98/04/88/387980488.db2.gz MQKCZEDESUKJMW-SECBINFHSA-N 2 0 236.319 1.265 20 0 BDADRP C[NH2+]CCC[NH2+][C@H](C)CC(=O)Nc1ccccc1 ZINC000423189338 387973503 /nfs/dbraw/zinc/97/35/03/387973503.db2.gz PFRKCWHUBPMCKQ-GFCCVEGCSA-N 2 0 249.358 1.603 20 0 BDADRP COCC1CCC([NH2+][C@H]2CC[NH2+]C2)CC1 ZINC000423189421 387973823 /nfs/dbraw/zinc/97/38/23/387973823.db2.gz QZRXKLRVYMCQML-MCIGGMRASA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H]([NH2+]CCC[NH3+])c1ccccc1N(C)C ZINC000423189571 387974279 /nfs/dbraw/zinc/97/42/79/387974279.db2.gz MWJQMDKGVDSYRY-NSHDSACASA-N 2 0 221.348 1.752 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423191363 387976016 /nfs/dbraw/zinc/97/60/16/387976016.db2.gz SRFCNEKEYDCIDB-MLGHIDQZSA-N 2 0 226.364 1.530 20 0 BDADRP C[C@H]([NH3+])Cc1nc(C2([NH3+])CCCCC2)no1 ZINC000424333220 387977480 /nfs/dbraw/zinc/97/74/80/387977480.db2.gz DDRFSKFCVLFSHZ-QMMMGPOBSA-N 2 0 224.308 1.077 20 0 BDADRP CC[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccncc1 ZINC000423203439 387989340 /nfs/dbraw/zinc/98/93/40/387989340.db2.gz MSECIQVTEJKKPC-AWEZNQCLSA-N 2 0 248.374 1.028 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cccc(CO)c1 ZINC000423204727 387991278 /nfs/dbraw/zinc/99/12/78/387991278.db2.gz DNYDGXAWPMJTSD-OCCSQVGLSA-N 2 0 248.370 1.829 20 0 BDADRP CC[C@H]([NH2+]CCC[NH2+]C)c1ccncc1 ZINC000423206485 387991401 /nfs/dbraw/zinc/99/14/01/387991401.db2.gz XCMMBYHTFUGKNG-LBPRGKRZSA-N 2 0 207.321 1.732 20 0 BDADRP C[NH2+]CCC[NH2+][C@H](COC)C1CCCC1 ZINC000423205971 387992023 /nfs/dbraw/zinc/99/20/23/387992023.db2.gz WNLFIODKLCRVLK-GFCCVEGCSA-N 2 0 214.353 1.391 20 0 BDADRP C[N@H+](CCOCC[NH3+])CC1CCCCC1 ZINC000086435501 135084052 /nfs/dbraw/zinc/08/40/52/135084052.db2.gz DRAZVRDULCIQFW-UHFFFAOYSA-N 2 0 214.353 1.474 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424368695 387992248 /nfs/dbraw/zinc/99/22/48/387992248.db2.gz AEURYBXOVOJKQA-IJLUTSLNSA-N 3 0 213.369 1.363 20 0 BDADRP C[C@H]1CCC[C@H](C)[NH+]1CCOCC[NH3+] ZINC000086435358 135084332 /nfs/dbraw/zinc/08/43/32/135084332.db2.gz YWQMVTYSKZQKFR-QWRGUYRKSA-N 2 0 200.326 1.225 20 0 BDADRP CCn1ccnc1[C@@H](C)[NH2+]CCCC[NH+](C)C ZINC000453089201 387982121 /nfs/dbraw/zinc/98/21/21/387982121.db2.gz NODLMHSJVDXXLT-GFCCVEGCSA-N 2 0 238.379 1.895 20 0 BDADRP C[C@@H]([NH2+]CCOCC[NH3+])[C@@H](C)c1ccccc1 ZINC000420399448 387998635 /nfs/dbraw/zinc/99/86/35/387998635.db2.gz HVQBXBBUZYYWLQ-CHWSQXEVSA-N 2 0 236.359 1.744 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000424375409 387998951 /nfs/dbraw/zinc/99/89/51/387998951.db2.gz NBTJCQZACCZERZ-AAVRWANBSA-N 3 0 237.391 1.473 20 0 BDADRP COCCC[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423218665 387999623 /nfs/dbraw/zinc/99/96/23/387999623.db2.gz SFGPWMJKNDVCMX-YNEHKIRRSA-N 2 0 228.380 1.779 20 0 BDADRP C[C@@H]([NH2+]C[C@H](C)[NH3+])[C@H]1COc2ccccc21 ZINC000420401886 387999741 /nfs/dbraw/zinc/99/97/41/387999741.db2.gz JRIPUHHMPWYXPX-HOSYDEDBSA-N 2 0 220.316 1.488 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)C1CCSCC1 ZINC000423222744 388003718 /nfs/dbraw/zinc/00/37/18/388003718.db2.gz CHYMSGVPUHPIPA-UWVGGRQHSA-N 2 0 216.394 1.845 20 0 BDADRP C[C@H]([NH3+])CCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423226562 388009122 /nfs/dbraw/zinc/00/91/22/388009122.db2.gz REHKSGPCAMNLLM-IGQOVBAYSA-N 2 0 239.407 1.624 20 0 BDADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H](C)[NH3+] ZINC000423226214 388009541 /nfs/dbraw/zinc/00/95/41/388009541.db2.gz PTTMLAWQXAQTTN-WOPDTQHZSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCSC2)CCN1C ZINC000156610300 388010041 /nfs/dbraw/zinc/01/00/41/388010041.db2.gz CFDCVPUVCOYHBM-GRYCIOLGSA-N 2 0 228.405 1.954 20 0 BDADRP COC[C@H]([NH2+]CC[C@H](C)[NH3+])C1CCCC1 ZINC000423227280 388010701 /nfs/dbraw/zinc/01/07/01/388010701.db2.gz VECPPQRWZSVIQA-JQWIXIFHSA-N 2 0 214.353 1.519 20 0 BDADRP C1C[C@H]([NH2+][C@H]2CCCC[C@@H]2[C@@H]2CCOC2)C[NH2+]1 ZINC000423210330 387996152 /nfs/dbraw/zinc/99/61/52/387996152.db2.gz HKCRTAXGVWBOMN-RQJABVFESA-N 2 0 238.375 1.533 20 0 BDADRP COCCC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424370967 387996366 /nfs/dbraw/zinc/99/63/66/387996366.db2.gz FKXOKNRBVBJFGR-IJLUTSLNSA-N 2 0 214.353 1.661 20 0 BDADRP CC[N@@H+]1C[C@@H](C)[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000423216105 387996620 /nfs/dbraw/zinc/99/66/20/387996620.db2.gz PLCPOCSXHZXXPX-SYCZCVCYSA-N 2 0 237.391 1.199 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCCc2occc21 ZINC000423228370 388013903 /nfs/dbraw/zinc/01/39/03/388013903.db2.gz ZJGHJQJHDDVVDS-GXSJLCMTSA-N 2 0 208.305 1.984 20 0 BDADRP COCCC[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423230451 388014837 /nfs/dbraw/zinc/01/48/37/388014837.db2.gz DPBPQOJVFBFABR-MNOVXSKESA-N 2 0 200.326 1.143 20 0 BDADRP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423230872 388015161 /nfs/dbraw/zinc/01/51/61/388015161.db2.gz FMLLWODLBMXIGT-YNEHKIRRSA-N 2 0 226.364 1.533 20 0 BDADRP C[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH2+]2)[C@H]2CCC[C@@H]21 ZINC000423229543 388015972 /nfs/dbraw/zinc/01/59/72/388015972.db2.gz BLDZYQWTPAHNLR-CRWXNKLISA-N 2 0 237.391 1.201 20 0 BDADRP COCC1CCC([NH2+]C[C@@H]2CCC[NH2+]2)CC1 ZINC000423232225 388017194 /nfs/dbraw/zinc/01/71/94/388017194.db2.gz HVQXUSVRTHXCII-BPCQOVAHSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccn(C)n1 ZINC000423255628 388036497 /nfs/dbraw/zinc/03/64/97/388036497.db2.gz AKHHDPNJLBFJQV-NWDGAFQWSA-N 2 0 236.363 1.460 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423263853 388042803 /nfs/dbraw/zinc/04/28/03/388042803.db2.gz BFXULERKCLBFAO-BPLDGKMQSA-N 2 0 249.402 1.518 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H](N)c1ccccc1 ZINC000423244952 388028114 /nfs/dbraw/zinc/02/81/14/388028114.db2.gz ICMZNBSLEGIRCU-AAEUAGOBSA-N 2 0 221.348 1.403 20 0 BDADRP Cn1ccnc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446887427 388044163 /nfs/dbraw/zinc/04/41/63/388044163.db2.gz SPYCDBHAUCXRDU-UHFFFAOYSA-N 2 0 248.374 1.384 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)[C@H](C)O1 ZINC000423246008 388029597 /nfs/dbraw/zinc/02/95/97/388029597.db2.gz JOFHCTHDWOIQCK-KXNHARMFSA-N 2 0 212.337 1.142 20 0 BDADRP Cn1ncc2c1CCC[C@H]2[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423246038 388030327 /nfs/dbraw/zinc/03/03/27/388030327.db2.gz JRCFLLHVRCSJGT-WCQYABFASA-N 2 0 248.374 1.387 20 0 BDADRP CC[NH2+]CCN[C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423246903 388030499 /nfs/dbraw/zinc/03/04/99/388030499.db2.gz ZVHMCZSZMKXWGN-TZMCWYRMSA-N 2 0 235.375 1.144 20 0 BDADRP COC[C@H]([NH2+]C[C@H]([NH3+])C(C)C)C(C)C ZINC000423274187 388055020 /nfs/dbraw/zinc/05/50/20/388055020.db2.gz LNURKHDFWUUESR-QWRGUYRKSA-N 2 0 202.342 1.230 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000423274694 388055368 /nfs/dbraw/zinc/05/53/68/388055368.db2.gz KUEURNKSHIPLRJ-FIQHERPVSA-N 2 0 213.369 1.219 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)c2nccn21 ZINC000423274937 388055745 /nfs/dbraw/zinc/05/57/45/388055745.db2.gz MPHPOEYBYXCOPW-AGIUHOORSA-N 2 0 248.374 1.868 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000423275560 388056342 /nfs/dbraw/zinc/05/63/42/388056342.db2.gz LTNPUVOKDLCLKZ-WHOHXGKFSA-N 2 0 214.353 1.517 20 0 BDADRP CC(C)[C@H]([NH3+])C[NH2+][C@H]1C[C@@H](C)O[C@@H]1C ZINC000423278339 388060759 /nfs/dbraw/zinc/06/07/59/388060759.db2.gz QRNQTHVCACVUMO-DBIOUOCHSA-N 2 0 200.326 1.125 20 0 BDADRP C[C@H]1CN(C)C[C@H]1[NH2+]CCOCC1CCCC1 ZINC000453389724 388066747 /nfs/dbraw/zinc/06/67/47/388066747.db2.gz GKNGIVLROSLHRB-GXTWGEPZSA-N 2 0 240.391 1.733 20 0 BDADRP COC[C@@H](C)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453389992 388067419 /nfs/dbraw/zinc/06/74/19/388067419.db2.gz CPXUYMKHQZYXRK-LLVKDONJSA-N 2 0 214.353 1.485 20 0 BDADRP C[C@H]1CN(C)C[C@@H]1[NH2+]CCOCC1CCCC1 ZINC000453389725 388067662 /nfs/dbraw/zinc/06/76/62/388067662.db2.gz GKNGIVLROSLHRB-JSGCOSHPSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1C[C@H]1CCSC1 ZINC000261527409 135152236 /nfs/dbraw/zinc/15/22/36/135152236.db2.gz AVZOJQYGYCJSHS-GMTAPVOTSA-N 2 0 214.378 1.409 20 0 BDADRP CC(C)[C@H]([NH3+])C[NH2+][C@H](Cn1cccn1)C(C)C ZINC000423285924 388068463 /nfs/dbraw/zinc/06/84/63/388068463.db2.gz ZTXNTHMRRFCVMN-CHWSQXEVSA-N 2 0 238.379 1.481 20 0 BDADRP C[NH2+]C[C@H](C)CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000423285403 388068642 /nfs/dbraw/zinc/06/86/42/388068642.db2.gz ZMTSQMIMEBELPP-DGAVXFQQSA-N 2 0 239.407 1.304 20 0 BDADRP [NH3+]C[C@H](N[C@H]1C[C@H]([NH3+])c2ccccc21)C1CC1 ZINC000423285449 388068932 /nfs/dbraw/zinc/06/89/32/388068932.db2.gz YCESZRNBISWFMD-IHRRRGAJSA-N 2 0 231.343 1.458 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)C[NH2+]C)C12CCC2 ZINC000423285038 388069828 /nfs/dbraw/zinc/06/98/28/388069828.db2.gz ZFADSKDUEDFEEO-FRRDWIJNSA-N 2 0 240.391 1.779 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]CC(C)(C)[NH3+])C12CCC2 ZINC000423286855 388071426 /nfs/dbraw/zinc/07/14/26/388071426.db2.gz JDGFZFKOCHIISQ-GHMZBOCLSA-N 2 0 226.364 1.661 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@@H](C)O2)[C@@H](C)C1 ZINC000453400765 388071950 /nfs/dbraw/zinc/07/19/50/388071950.db2.gz CZCJAVCMILGXAC-CRWXNKLISA-N 2 0 240.391 1.874 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+]CC(C)(C)[NH3+])C12CCC2 ZINC000423286856 388072050 /nfs/dbraw/zinc/07/20/50/388072050.db2.gz JDGFZFKOCHIISQ-MNOVXSKESA-N 2 0 226.364 1.661 20 0 BDADRP CCC([NH3+])(CC)CN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000423288021 388073434 /nfs/dbraw/zinc/07/34/34/388073434.db2.gz PYGVFIRQOBNQGQ-RYUDHWBXSA-N 2 0 227.396 1.576 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccnc1 ZINC000084215725 388073423 /nfs/dbraw/zinc/07/34/23/388073423.db2.gz CMAJMEOLUJCZDF-OLZOCXBDSA-N 2 0 219.332 1.689 20 0 BDADRP COC[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)C1CC1 ZINC000453402822 388073883 /nfs/dbraw/zinc/07/38/83/388073883.db2.gz NYDKSRVNCKOPEJ-CQSZACIVSA-N 2 0 240.391 1.875 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCc1cccnc1 ZINC000084219906 388075304 /nfs/dbraw/zinc/07/53/04/388075304.db2.gz ABSDZPVOZVRCTE-CHWSQXEVSA-N 2 0 219.332 1.341 20 0 BDADRP COCC[C@@H](C)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453409449 388075708 /nfs/dbraw/zinc/07/57/08/388075708.db2.gz UFYSBZDOGMMNNE-GFCCVEGCSA-N 2 0 228.380 1.875 20 0 BDADRP CCC([NH3+])(CC)CN[C@H](C)c1c[nH+]ccc1N ZINC000423295376 388076819 /nfs/dbraw/zinc/07/68/19/388076819.db2.gz WWTQJEZRFYSOQF-SNVBAGLBSA-N 2 0 236.363 1.662 20 0 BDADRP CC[C@@H]([NH2+]C[C@H](C)C[NH3+])c1cnn(C)c1 ZINC000423294290 388076906 /nfs/dbraw/zinc/07/69/06/388076906.db2.gz BSWMFZKMHTVUAW-MWLCHTKSSA-N 2 0 210.325 1.056 20 0 BDADRP CCC[NH2+]CC[NH2+][C@H]1CCOC[C@@H]1C ZINC000423295500 388077120 /nfs/dbraw/zinc/07/71/20/388077120.db2.gz ASAQUIITJVPZEV-QWRGUYRKSA-N 2 0 200.326 1.001 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1cncc(F)c1 ZINC000423298424 388079373 /nfs/dbraw/zinc/07/93/73/388079373.db2.gz OKAHMAQNDQGWEP-IUCAKERBSA-N 2 0 211.284 1.466 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000423297369 388079471 /nfs/dbraw/zinc/07/94/71/388079471.db2.gz KAJOYTAACUWRRW-YVECIDJPSA-N 2 0 238.375 1.519 20 0 BDADRP CO[C@@H](C)[C@@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000447576129 388079786 /nfs/dbraw/zinc/07/97/86/388079786.db2.gz APJIMBQJNHYSAV-NEPJUHHUSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000086403150 388101579 /nfs/dbraw/zinc/10/15/79/388101579.db2.gz FICWTUPZLYAVQX-WOPDTQHZSA-N 2 0 222.336 1.131 20 0 BDADRP CC(C)OCCC[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000086495172 388103569 /nfs/dbraw/zinc/10/35/69/388103569.db2.gz YKBLRDCPEFMJQT-OLZOCXBDSA-N 2 0 228.380 1.922 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423267480 388045483 /nfs/dbraw/zinc/04/54/83/388045483.db2.gz FEULCHAPRATLNB-FRRDWIJNSA-N 3 0 225.380 1.093 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000423268328 388047454 /nfs/dbraw/zinc/04/74/54/388047454.db2.gz FZLMBVLTFCKEDN-ZYHUDNBSSA-N 2 0 236.363 1.243 20 0 BDADRP CCn1ccnc1CN1CC[NH+](CC2CC2)CC1 ZINC000195514925 388165688 /nfs/dbraw/zinc/16/56/88/388165688.db2.gz JFOBELLWFDAELQ-UHFFFAOYSA-N 2 0 248.374 1.431 20 0 BDADRP CCCCOCCC[NH2+]C1CC[NH2+]CC1 ZINC000197113303 388117813 /nfs/dbraw/zinc/11/78/13/388117813.db2.gz PZNRSYXPYAOMMQ-UHFFFAOYSA-N 2 0 214.353 1.535 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000449078567 388140053 /nfs/dbraw/zinc/14/00/53/388140053.db2.gz VNDIFQZYIJEKDW-TUAOUCFPSA-N 2 0 241.379 1.103 20 0 BDADRP CCC[NH2+][C@@H](C)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000449138671 388147338 /nfs/dbraw/zinc/14/73/38/388147338.db2.gz ISHHXUXEHWZSTA-RYUDHWBXSA-N 2 0 243.395 1.206 20 0 BDADRP CC(C)(C)CC[NH2+]C[C@H]1CCCN1CCCO ZINC000449384156 388189524 /nfs/dbraw/zinc/18/95/24/388189524.db2.gz AFFJRRBVWXETBT-CYBMUJFWSA-N 2 0 242.407 1.859 20 0 BDADRP CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCCN1CCCO ZINC000449387904 388190593 /nfs/dbraw/zinc/19/05/93/388190593.db2.gz NLBRAXLLWWKPME-IHRRRGAJSA-N 2 0 242.407 1.857 20 0 BDADRP CC(C)C[C@@H](C)[NH2+]C[C@H]1CCCN1CCCO ZINC000449387658 388190646 /nfs/dbraw/zinc/19/06/46/388190646.db2.gz MLDPSQYIHTXLLT-ZIAGYGMSSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@@H]1[C@H](CO)CC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000488742030 388193042 /nfs/dbraw/zinc/19/30/42/388193042.db2.gz DIDIAPWMNBDSDF-AGIUHOORSA-N 2 0 226.364 1.173 20 0 BDADRP CC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])[C@@H](O)CC ZINC000313103686 256537986 /nfs/dbraw/zinc/53/79/86/256537986.db2.gz WFXPUBKQMVESJN-TUAOUCFPSA-N 2 0 216.369 1.643 20 0 BDADRP CC[C@H](O)[C@H](CC)[NH2+][C@H](C)CCC[NH3+] ZINC000313137522 256540800 /nfs/dbraw/zinc/54/08/00/256540800.db2.gz GLKOFKXVBDSUDK-VWYCJHECSA-N 2 0 202.342 1.253 20 0 BDADRP CC[C@@H]([NH2+]Cc1cccc2nccn21)[C@@H](C)O ZINC000449547005 388228636 /nfs/dbraw/zinc/22/86/36/388228636.db2.gz WTQKPSVEWKFFBO-ZYHUDNBSSA-N 2 0 233.315 1.583 20 0 BDADRP C[C@H](CCC[NH3+])NC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000449573911 388236219 /nfs/dbraw/zinc/23/62/19/388236219.db2.gz UJBSCOLHGKNXNF-NTZNESFSSA-N 2 0 241.379 1.138 20 0 BDADRP C[C@H]1CN(C)C[C@@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000449578484 388237047 /nfs/dbraw/zinc/23/70/47/388237047.db2.gz MWZXCTLPIRUPOF-RNJOBUHISA-N 2 0 226.364 1.077 20 0 BDADRP CCC[C@H]([NH3+])C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000449618798 388244440 /nfs/dbraw/zinc/24/44/40/388244440.db2.gz LQUJYMRIVVDVDE-LBPRGKRZSA-N 2 0 235.331 1.472 20 0 BDADRP C([C@@H]1CC[NH2+]C1)[N@@H+]1CCCC2(CC2)CC1 ZINC000629585540 388283144 /nfs/dbraw/zinc/28/31/44/388283144.db2.gz BLJSMBIZOWYRFA-GFCCVEGCSA-N 2 0 208.349 1.862 20 0 BDADRP C[C@@H](C[NH2+]Cc1cccc2c[nH]nc21)C[NH+](C)C ZINC000491597954 388304811 /nfs/dbraw/zinc/30/48/11/388304811.db2.gz AUQWZADBJQTFIW-NSHDSACASA-N 2 0 246.358 1.850 20 0 BDADRP Cn1nccc1CC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000300066178 388348449 /nfs/dbraw/zinc/34/84/49/388348449.db2.gz QBMLAGXPFHSJDH-FPMFFAJLSA-N 2 0 248.374 1.022 20 0 BDADRP C[C@@H]([NH3+])CCC(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000646467426 388363035 /nfs/dbraw/zinc/36/30/35/388363035.db2.gz HYDGBDJBPJODRM-VXGBXAGGSA-N 2 0 241.379 1.057 20 0 BDADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000235298047 388367179 /nfs/dbraw/zinc/36/71/79/388367179.db2.gz ZBXQPPGVYJWPLM-MBNYWOFBSA-N 2 0 242.407 1.713 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCOCC1CC1 ZINC000236216947 388378792 /nfs/dbraw/zinc/37/87/92/388378792.db2.gz GMWSAGRMXLCSMO-NWDGAFQWSA-N 2 0 212.337 1.130 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000236757683 388382359 /nfs/dbraw/zinc/38/23/59/388382359.db2.gz UZRZHTTYYIYDDD-RYUDHWBXSA-N 2 0 243.395 1.336 20 0 BDADRP [NH3+]Cc1cccc(NC(=O)C[C@@H]2CC[NH2+]C2)c1 ZINC000646578870 388388986 /nfs/dbraw/zinc/38/89/86/388388986.db2.gz IACFUHHHEKUYJM-NSHDSACASA-N 2 0 233.315 1.083 20 0 BDADRP C[C@H]1C[C@@H](N(C)CC2(F)CC2)CC[N@@H+]1C ZINC000525978356 388441593 /nfs/dbraw/zinc/44/15/93/388441593.db2.gz PRLQZNWFEQGXPQ-QWRGUYRKSA-N 2 0 214.328 1.903 20 0 BDADRP C[C@H](C[NH2+][C@H]1CCOC1(C)C)C[NH+](C)C ZINC000336901790 388442021 /nfs/dbraw/zinc/44/20/21/388442021.db2.gz SWUKTWPQCDEHED-MNOVXSKESA-N 2 0 214.353 1.341 20 0 BDADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccccn2)C[C@H]1C[NH3+] ZINC000397405819 388467110 /nfs/dbraw/zinc/46/71/10/388467110.db2.gz SZQDZOOSZMHUPF-JHJVBQTASA-N 2 0 233.359 1.887 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCN2CCCC[C@@H]12 ZINC000336722194 388468821 /nfs/dbraw/zinc/46/88/21/388468821.db2.gz STUSRHCUKPBNMU-MCIONIFRSA-N 3 0 239.407 1.720 20 0 BDADRP CC[C@H]1CCCCC[N@@H+]1CCOCC[NH3+] ZINC000134366669 388475951 /nfs/dbraw/zinc/47/59/51/388475951.db2.gz PLSITGOZTNUQRT-LBPRGKRZSA-N 2 0 214.353 1.616 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)C1CCC1 ZINC000316687318 388420448 /nfs/dbraw/zinc/42/04/48/388420448.db2.gz ZTKDAIREZQLNGW-AVGNSLFASA-N 2 0 226.364 1.255 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NCC[NH3+] ZINC000307596968 388424725 /nfs/dbraw/zinc/42/47/25/388424725.db2.gz MYWILWJLRKCTRR-OCCSQVGLSA-N 2 0 233.359 1.055 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H]2C(F)F)[C@H](C)C1 ZINC000393522307 388432617 /nfs/dbraw/zinc/43/26/17/388432617.db2.gz QGSOOUUZVCNUDB-YTWAJWBKSA-N 2 0 232.318 1.960 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](CO)CC(C)(C)C ZINC000393536356 388433110 /nfs/dbraw/zinc/43/31/10/388433110.db2.gz ZSAAGCUPBNSOEY-NWDGAFQWSA-N 2 0 230.396 1.891 20 0 BDADRP C[C@H](O)CC(C)(C)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000393693106 388437865 /nfs/dbraw/zinc/43/78/65/388437865.db2.gz IMKGQFCGSNMSDY-AVGNSLFASA-N 2 0 242.407 1.904 20 0 BDADRP CC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)C(C)(C)O ZINC000340501249 388492131 /nfs/dbraw/zinc/49/21/31/388492131.db2.gz IVCOQZFFRGSEIT-CYBMUJFWSA-N 2 0 242.407 1.998 20 0 BDADRP CCC[C@H](C[NH2+]C1CC[NH+](CC)CC1)OC ZINC000356335476 388548973 /nfs/dbraw/zinc/54/89/73/388548973.db2.gz NGMBHZOYDYXPHT-CYBMUJFWSA-N 2 0 228.380 1.875 20 0 BDADRP CCC[NH+]1CCC([NH2+]CC[C@@H](C)CCO)CC1 ZINC000397792857 388499332 /nfs/dbraw/zinc/49/93/32/388499332.db2.gz TVMONWJBZVTFHQ-CYBMUJFWSA-N 2 0 242.407 1.859 20 0 BDADRP CCC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)COC1 ZINC000343634800 388502130 /nfs/dbraw/zinc/50/21/30/388502130.db2.gz VEGNQODASSVAHV-STQMWFEESA-N 2 0 238.375 1.629 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000398002446 388514367 /nfs/dbraw/zinc/51/43/67/388514367.db2.gz UBMIJBBVXZNDES-UTLUCORTSA-N 2 0 202.367 1.597 20 0 BDADRP COCCN1CC[C@@H]([NH2+][C@H](C)CCC2CC2)C1 ZINC000346547374 388520204 /nfs/dbraw/zinc/52/02/04/388520204.db2.gz ANKXQZGEIFVCEE-TZMCWYRMSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000348287073 388528082 /nfs/dbraw/zinc/52/80/82/388528082.db2.gz AODSXCBUTHXJCL-ZOBORPQBSA-N 2 0 242.407 1.569 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000348273909 388528145 /nfs/dbraw/zinc/52/81/45/388528145.db2.gz AJZCVAOQTRHAQC-AGIUHOORSA-N 2 0 240.391 1.466 20 0 BDADRP C[C@@H]([NH2+]CCC[NH+](C)C)[C@@H]1CCCCO1 ZINC000379276426 388604641 /nfs/dbraw/zinc/60/46/41/388604641.db2.gz ZVASANHKHHWWOT-NEPJUHHUSA-N 2 0 214.353 1.485 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@H]1CC[NH+](C)C[C@@H]1C ZINC000359644401 388556850 /nfs/dbraw/zinc/55/68/50/388556850.db2.gz ZZKJQFTUOHHEOJ-KBPBESRZSA-N 2 0 241.423 1.647 20 0 BDADRP C[C@@H]1CCC[C@H](C)[N@H+](CCOCC[NH3+])C1 ZINC000261568389 135209945 /nfs/dbraw/zinc/20/99/45/135209945.db2.gz FNDRXXVXESOJGU-NEPJUHHUSA-N 2 0 214.353 1.472 20 0 BDADRP c1ccc(OCCC[NH2+]C2CC[NH2+]CC2)cc1 ZINC000052092135 388669486 /nfs/dbraw/zinc/66/94/86/388669486.db2.gz ZGOIZLUTAPWGER-UHFFFAOYSA-N 2 0 234.343 1.797 20 0 BDADRP CC[N@@H+]1CC[C@H](NCC[NH+]2CCCC2)[C@@H](C)C1 ZINC000248048009 388673436 /nfs/dbraw/zinc/67/34/36/388673436.db2.gz VRHPDRLFQSSWEN-KBPBESRZSA-N 2 0 239.407 1.402 20 0 BDADRP CC(C)[C@H]1C[N@H+](CCOCC[NH3+])CCS1 ZINC000261598044 135237180 /nfs/dbraw/zinc/23/71/80/135237180.db2.gz ZJDCLIFSKNJQRW-LLVKDONJSA-N 2 0 232.393 1.035 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@](C)(O)CC)[C@H](C)C1 ZINC000248166094 388674008 /nfs/dbraw/zinc/67/40/08/388674008.db2.gz TUAWICSCQYWHFH-FRRDWIJNSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@H](N[C@H]1CC[NH2+]C12CCC2)[C@@H]1CCC[NH2+]C1 ZINC000530214903 388628849 /nfs/dbraw/zinc/62/88/49/388628849.db2.gz DQFZJGFMYVLSEH-XQQFMLRXSA-N 2 0 237.391 1.249 20 0 BDADRP COc1ccc(CC[NH2+][C@H]2CCC[C@@H]2[NH3+])cn1 ZINC000530218106 388629841 /nfs/dbraw/zinc/62/98/41/388629841.db2.gz FDSDLAGQZBNMAC-RYUDHWBXSA-N 2 0 235.331 1.102 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[NH3+])c1ccncc1 ZINC000530218790 388631249 /nfs/dbraw/zinc/63/12/49/388631249.db2.gz HFHWUOGHJOJVLP-RAIGVLPGSA-N 2 0 219.332 1.655 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC23CC(C2)CO3)c2ccccc21 ZINC000530220234 388631837 /nfs/dbraw/zinc/63/18/37/388631837.db2.gz MLYBDGMGTVQADG-SORUDPMGSA-N 2 0 244.338 1.900 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]CC23CC(C2)CO3)c2ccccc21 ZINC000530220223 388632304 /nfs/dbraw/zinc/63/23/04/388632304.db2.gz MLYBDGMGTVQADG-LBYOPCMCSA-N 2 0 244.338 1.900 20 0 BDADRP COc1ccc(CC[NH2+][C@H]2CCC[C@@H]2C[NH3+])cn1 ZINC000530221971 388633312 /nfs/dbraw/zinc/63/33/12/388633312.db2.gz QCLVIDDQOSWHOD-OLZOCXBDSA-N 2 0 249.358 1.350 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC12CC(C1)CO2 ZINC000530223334 388634312 /nfs/dbraw/zinc/63/43/12/388634312.db2.gz UEQKJKSZGWVUOK-CQLXCSJHSA-N 2 0 224.348 1.143 20 0 BDADRP CC(C)[C@@H]1CNCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000530229337 388636564 /nfs/dbraw/zinc/63/65/64/388636564.db2.gz NIYGSRWBCLUWIO-KGLIPLIRSA-N 2 0 239.407 1.306 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCOC)[C@@H](C)C1 ZINC000246440008 388636569 /nfs/dbraw/zinc/63/65/69/388636569.db2.gz DLSVTZIRRIHKAE-QWHCGFSZSA-N 2 0 228.380 1.685 20 0 BDADRP CC(C)([NH3+])CNc1ccc2c(c1)OCC[NH2+]C2 ZINC000530247413 388639588 /nfs/dbraw/zinc/63/95/88/388639588.db2.gz SEZQBSJVPVUENI-UHFFFAOYSA-N 2 0 235.331 1.318 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1COc2ccccc2C1 ZINC000328493555 388644602 /nfs/dbraw/zinc/64/46/02/388644602.db2.gz TUGKRJLTAGSMEU-AAEUAGOBSA-N 2 0 234.343 1.707 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000222794602 388644842 /nfs/dbraw/zinc/64/48/42/388644842.db2.gz CUIOBNKJIFIBLB-NZEXEKPDSA-N 2 0 210.365 1.961 20 0 BDADRP CC[N@H+](C)CCN[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000222833365 388645592 /nfs/dbraw/zinc/64/55/92/388645592.db2.gz HXGPRGUKLQDBHS-NWDGAFQWSA-N 2 0 213.369 1.010 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)CCO)[C@@H](C)C1 ZINC000247113247 388658898 /nfs/dbraw/zinc/65/88/98/388658898.db2.gz PHDOKFSHFSXMJX-QWHCGFSZSA-N 2 0 242.407 1.715 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)O)[C@@H](C)C1 ZINC000247259914 388661130 /nfs/dbraw/zinc/66/11/30/388661130.db2.gz ZTPMKOLFQFEDGW-QWRGUYRKSA-N 2 0 214.353 1.077 20 0 BDADRP CCC[N@H+](CC)CCN[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000224410767 388663914 /nfs/dbraw/zinc/66/39/14/388663914.db2.gz QCHXHZYLZIVIHD-UONOGXRCSA-N 2 0 241.423 1.791 20 0 BDADRP COC[C@H](C)C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000249844139 388734235 /nfs/dbraw/zinc/73/42/35/388734235.db2.gz OCZXDXDMYYNSIC-JHJVBQTASA-N 2 0 228.380 1.731 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCCS1 ZINC000227003568 388736019 /nfs/dbraw/zinc/73/60/19/388736019.db2.gz LGBOJPPCTGFUNF-SRVKXCTJSA-N 2 0 228.405 1.989 20 0 BDADRP CCSCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261527422 388743520 /nfs/dbraw/zinc/74/35/20/388743520.db2.gz BALVWQWTFLTEGA-AXFHLTTASA-N 2 0 214.378 1.409 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)[C@H]1CCCO1 ZINC000251628199 388750239 /nfs/dbraw/zinc/75/02/39/388750239.db2.gz QYZRBZHJMVXFMN-YNEHKIRRSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000251816609 388754082 /nfs/dbraw/zinc/75/40/82/388754082.db2.gz ZHARNJLTUXVHJO-SNPRPXQTSA-N 2 0 248.370 1.259 20 0 BDADRP CO[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000249084021 388708205 /nfs/dbraw/zinc/70/82/05/388708205.db2.gz SWCCVTKYEMONAZ-QSLWVIQJSA-N 2 0 240.391 1.872 20 0 BDADRP CO[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000249084023 388708311 /nfs/dbraw/zinc/70/83/11/388708311.db2.gz SWCCVTKYEMONAZ-RKQHYHRCSA-N 2 0 240.391 1.872 20 0 BDADRP C[C@@H](C[NH+](C)C)NC1CC[NH+](CC2CC2)CC1 ZINC000554371780 388812192 /nfs/dbraw/zinc/81/21/92/388812192.db2.gz AKBFRTUDQVAVBX-LBPRGKRZSA-N 2 0 239.407 1.401 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CC=C(C)C ZINC000228856092 388775785 /nfs/dbraw/zinc/77/57/85/388775785.db2.gz SOXHSGAJWCPDPN-LLVKDONJSA-N 2 0 200.326 1.296 20 0 BDADRP CCn1ccnc1CN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000229086951 388779756 /nfs/dbraw/zinc/77/97/56/388779756.db2.gz DURSEPHVFBWGNU-RYUDHWBXSA-N 2 0 236.363 1.320 20 0 BDADRP CN(CCC[NH+](C)C)Cc1ccc(C(N)=O)cc1 ZINC000554551895 388820793 /nfs/dbraw/zinc/82/07/93/388820793.db2.gz CATHUFOPEJPDJR-UHFFFAOYSA-N 2 0 249.358 1.169 20 0 BDADRP C[C@H](C[NH2+][C@H](C)[C@@H]1CCOC1)C[NH+]1CCCC1 ZINC000129155827 388822104 /nfs/dbraw/zinc/82/21/04/388822104.db2.gz HVGJPHPBMFMEEN-MGPQQGTHSA-N 2 0 240.391 1.733 20 0 BDADRP CS[C@@H]1CC[N@H+](CCC[NH+]2CCCC2)C1 ZINC000556111467 388867907 /nfs/dbraw/zinc/86/79/07/388867907.db2.gz UZBZXMWXCQODBJ-GFCCVEGCSA-N 2 0 228.405 1.910 20 0 BDADRP CC[C@H]1C[N@H+](CCc2ccnn2C)CC[C@H]1[NH3+] ZINC000300015587 388848215 /nfs/dbraw/zinc/84/82/15/388848215.db2.gz GEDBKNTXRHDDKM-WCQYABFASA-N 2 0 236.363 1.022 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCCn2ccnc2)CC[N@@H+]1C ZINC000129503715 388850030 /nfs/dbraw/zinc/85/00/30/388850030.db2.gz VCJYLTAWLZHEQU-OLZOCXBDSA-N 2 0 236.363 1.346 20 0 BDADRP CC(C)(O)C[NH2+]CCCCC[NH+]1CCCC1 ZINC000564562309 388879367 /nfs/dbraw/zinc/87/93/67/388879367.db2.gz FHLVWJIDZHQREX-UHFFFAOYSA-N 2 0 228.380 1.613 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@@]1(C)CO ZINC000565645186 388960562 /nfs/dbraw/zinc/96/05/62/388960562.db2.gz FGGYGFZPSDFYTD-NEPJUHHUSA-N 2 0 214.353 1.207 20 0 BDADRP CCN(C)C[C@H](O)C[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000565724107 388966410 /nfs/dbraw/zinc/96/64/10/388966410.db2.gz LTPLOJDIQJYYJL-KBPBESRZSA-N 2 0 240.391 1.421 20 0 BDADRP CC[C@H]([NH3+])CNC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000566009270 388983194 /nfs/dbraw/zinc/98/31/94/388983194.db2.gz KZSGNHCUXYOTBJ-SKDRFNHKSA-N 2 0 235.331 1.173 20 0 BDADRP CC[C@H](NC[C@H]1CCC[N@H+](C)C1)[C@@H]1CCC[NH2+]1 ZINC000566089525 388986339 /nfs/dbraw/zinc/98/63/39/388986339.db2.gz KXCNXVKAJWESCN-RDBSUJKOSA-N 2 0 239.407 1.448 20 0 BDADRP Cc1n[nH]cc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271866065 389023285 /nfs/dbraw/zinc/02/32/85/389023285.db2.gz WFHBOTOFMFLBKR-UHFFFAOYSA-N 2 0 220.320 1.070 20 0 BDADRP C[N@H+]1CC=C(C[NH2+]Cc2ccccn2)CC1 ZINC000271792781 389026587 /nfs/dbraw/zinc/02/65/87/389026587.db2.gz HEVCBDXHMWMHHP-UHFFFAOYSA-N 2 0 217.316 1.433 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@H]2CCCS2)CC1 ZINC000087667675 535473853 /nfs/dbraw/zinc/47/38/53/535473853.db2.gz VXUTXLDQBLBLTE-GFCCVEGCSA-N 2 0 228.405 1.956 20 0 BDADRP C(COC1CCCC1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000168753242 533367128 /nfs/dbraw/zinc/36/71/28/533367128.db2.gz JGNPWVOURSJRHB-LBPRGKRZSA-N 2 0 226.364 1.677 20 0 BDADRP C([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCCCO1 ZINC000250856226 533369928 /nfs/dbraw/zinc/36/99/28/533369928.db2.gz PIMFVWPUJYBDPW-HZSPNIEDSA-N 2 0 238.375 1.772 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CCC2(CCC2)C1 ZINC000261548367 533374772 /nfs/dbraw/zinc/37/47/72/533374772.db2.gz NPGRNZWZOPSFMY-GFCCVEGCSA-N 2 0 208.349 1.862 20 0 BDADRP C[C@@H]([NH2+]CCC1CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000400721304 533375692 /nfs/dbraw/zinc/37/56/92/533375692.db2.gz OMHPBKWBSBAISD-YPMHNXCESA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)[C@H]1CCC[NH2+]1 ZINC000400744813 533376682 /nfs/dbraw/zinc/37/66/82/533376682.db2.gz UHDOIBFJXULVMU-TZMCWYRMSA-N 3 0 239.407 1.448 20 0 BDADRP C[C@@H]([NH2+]CCCOCC1CC1)[C@H]1CCC[NH2+]1 ZINC000400488569 533386608 /nfs/dbraw/zinc/38/66/08/533386608.db2.gz YLSYYYIJPYFWHN-DGCLKSJQSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)[C@H]1CCCOC1)[C@@H]1CCC[NH2+]1 ZINC000400342886 533501043 /nfs/dbraw/zinc/50/10/43/533501043.db2.gz IAFVKNMKBIPRLI-RNJOBUHISA-N 2 0 226.364 1.532 20 0 BDADRP C[NH+](C)CC1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000345777032 133791231 /nfs/dbraw/zinc/79/12/31/133791231.db2.gz SPLXYNNHFOTIPS-AWEZNQCLSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cccc3c2NCC3)CC[C@@H]1[NH3+] ZINC000336055831 134066582 /nfs/dbraw/zinc/06/65/82/134066582.db2.gz PIQNPUOWVIIDOJ-RISCZKNCSA-N 2 0 245.370 1.824 20 0 BDADRP CC[N@H+](CC[C@H]1CCC[NH+]1C)C[C@@H](C)O ZINC000352203207 134102691 /nfs/dbraw/zinc/10/26/91/134102691.db2.gz PYECPSNHHZGBTR-VXGBXAGGSA-N 2 0 214.353 1.173 20 0 BDADRP C[NH+](C)CCOCC[NH2+][C@H]1CCc2ccccc21 ZINC000219323801 134281641 /nfs/dbraw/zinc/28/16/41/134281641.db2.gz QNUYXQRHARJKSG-HNNXBMFYSA-N 2 0 248.370 1.842 20 0 BDADRP COc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000219839035 134292408 /nfs/dbraw/zinc/29/24/08/134292408.db2.gz VWCBZWSJGSRPBH-SMDDNHRTSA-N 2 0 234.343 1.864 20 0 BDADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)C1CC1 ZINC000177206769 134296275 /nfs/dbraw/zinc/29/62/75/134296275.db2.gz VKZUMXLGNNOONM-LBPRGKRZSA-N 2 0 239.407 1.401 20 0 BDADRP Cn1cncc1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000177276189 134299166 /nfs/dbraw/zinc/29/91/66/134299166.db2.gz RKNANHYYAIXPBH-LBPRGKRZSA-N 2 0 234.347 1.090 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2CCCC[NH2+]2)cc1 ZINC000178219161 134305130 /nfs/dbraw/zinc/30/51/30/134305130.db2.gz QHDVBNCFAPSIGJ-GWCFXTLKSA-N 2 0 247.342 1.787 20 0 BDADRP CC[C@](C)(CCO)[NH2+]CC1CC[NH2+]CC1 ZINC000220390006 134305998 /nfs/dbraw/zinc/30/59/98/134305998.db2.gz YSFHBCMYSFOBBW-GFCCVEGCSA-N 2 0 214.353 1.127 20 0 BDADRP C[C@@H](CC[NH3+])[NH2+]Cc1ccc(F)c(F)c1 ZINC000220537444 134309542 /nfs/dbraw/zinc/30/95/42/134309542.db2.gz GHWOQHLNUQVTTJ-QMMMGPOBSA-N 2 0 214.259 1.792 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000178411513 134309938 /nfs/dbraw/zinc/30/99/38/134309938.db2.gz GCYXOIGVEQDUSM-CMPLNLGQSA-N 2 0 247.342 1.644 20 0 BDADRP CC[C@@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000178965321 134313735 /nfs/dbraw/zinc/31/37/35/134313735.db2.gz NDCNSUWVEIGFDW-WCQYABFASA-N 2 0 226.364 1.485 20 0 BDADRP COC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)C(C)C ZINC000223031472 134336394 /nfs/dbraw/zinc/33/63/94/134336394.db2.gz JKKJLQBGOXCGQW-UTUOFQBUSA-N 2 0 214.353 1.517 20 0 BDADRP C[C@@H](O)CC(C)(C)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000181137042 134336639 /nfs/dbraw/zinc/33/66/39/134336639.db2.gz UGUWOWOPXXZSDW-UPJWGTAASA-N 2 0 242.407 1.856 20 0 BDADRP C[C@H](CCO)[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000223755066 134339078 /nfs/dbraw/zinc/33/90/78/134339078.db2.gz NZUMGIFRDMEFRV-IRCOFANPSA-N 2 0 214.353 1.076 20 0 BDADRP CC(C)[C@H](O)CC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000224098692 134345036 /nfs/dbraw/zinc/34/50/36/134345036.db2.gz IAEXQGAHTXVWEK-YNEHKIRRSA-N 2 0 228.380 1.323 20 0 BDADRP C[C@H](CO)C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000224251124 134345417 /nfs/dbraw/zinc/34/54/17/134345417.db2.gz KAUWMLOBEPWHQS-AVGNSLFASA-N 2 0 228.380 1.515 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000227497666 134381191 /nfs/dbraw/zinc/38/11/91/134381191.db2.gz FHQQTKQXARKCTA-RYUDHWBXSA-N 2 0 226.364 1.485 20 0 BDADRP C[NH2+]CC1CC[NH+]([C@H](C)CCOC)CC1 ZINC000063159193 134521412 /nfs/dbraw/zinc/52/14/12/134521412.db2.gz OBRBWDQNSFRQSH-LLVKDONJSA-N 2 0 214.353 1.343 20 0 BDADRP C[C@H]([NH2+]CCC[NH+]1CCCC1)[C@H]1CCCO1 ZINC000049332467 134631441 /nfs/dbraw/zinc/63/14/41/134631441.db2.gz APOWJVVZSROMDE-QWHCGFSZSA-N 2 0 226.364 1.629 20 0 BDADRP COC(=O)CCC[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000069724242 134902279 /nfs/dbraw/zinc/90/22/79/134902279.db2.gz WTZFHDUINBGSIE-NSHDSACASA-N 2 0 228.336 1.000 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H]2CCOC2)CC1 ZINC000070964985 135015464 /nfs/dbraw/zinc/01/54/64/135015464.db2.gz MNTOGJSSFUFLGO-LBPRGKRZSA-N 2 0 212.337 1.239 20 0 BDADRP Cc1cc(N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)cc[nH+]1 ZINC000248665020 135018217 /nfs/dbraw/zinc/01/82/17/135018217.db2.gz LBDCLPIPRXHCAW-STQMWFEESA-N 2 0 249.358 1.281 20 0 BDADRP c1cnn(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000250159146 135050168 /nfs/dbraw/zinc/05/01/68/135050168.db2.gz GDALCKUHQHPTJD-STQMWFEESA-N 2 0 234.347 1.100 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCO[C@H](C)C2)C1 ZINC000250358134 135052751 /nfs/dbraw/zinc/05/27/51/135052751.db2.gz SPUHRECXDWQPIQ-UPJWGTAASA-N 2 0 226.364 1.485 20 0 BDADRP COCCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250459022 135055036 /nfs/dbraw/zinc/05/50/36/135055036.db2.gz KEBSFEDSDIKAQE-BFHYXJOUSA-N 2 0 240.391 1.923 20 0 BDADRP C[NH+](C)C(C)(C)CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250681778 135057776 /nfs/dbraw/zinc/05/77/76/135057776.db2.gz ACADFWCLNGWPQD-STQMWFEESA-N 2 0 239.407 1.543 20 0 BDADRP CC[C@H](CO)[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000251095265 135064315 /nfs/dbraw/zinc/06/43/15/135064315.db2.gz PUXUXUZWSPHCIN-XJFOESAGSA-N 2 0 240.391 1.658 20 0 BDADRP CC[C@H](COC)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000251126295 135064535 /nfs/dbraw/zinc/06/45/35/135064535.db2.gz XFKHZQORYUWMIY-QJPTWQEYSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@H](CCO)[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000251177957 135064981 /nfs/dbraw/zinc/06/49/81/135064981.db2.gz GPGGIUXHDOHASW-FDYHWXHSSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@H](CCO)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000251201307 135066500 /nfs/dbraw/zinc/06/65/00/135066500.db2.gz KTGCNXWPRLQPKE-XJFOESAGSA-N 2 0 240.391 1.515 20 0 BDADRP CC(C)[C@H](CO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251318044 135068178 /nfs/dbraw/zinc/06/81/78/135068178.db2.gz LRJTWZTUJXHHKO-AGIUHOORSA-N 2 0 226.364 1.220 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CCCOC2)CC[C@H]1[NH3+] ZINC000251914474 135081393 /nfs/dbraw/zinc/08/13/93/135081393.db2.gz XLLLBAVUSWFOFR-IJLUTSLNSA-N 2 0 212.337 1.082 20 0 BDADRP Cc1n[nH]cc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000086403343 135083418 /nfs/dbraw/zinc/08/34/18/135083418.db2.gz BSIIWIGZDGBCKL-GHMZBOCLSA-N 2 0 208.309 1.078 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCCO1 ZINC000086402499 135083465 /nfs/dbraw/zinc/08/34/65/135083465.db2.gz BLMIOZZFVRKGHY-YFKTTZPYSA-N 2 0 212.337 1.413 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1C[C@H]1CCCOC1 ZINC000252107580 135083623 /nfs/dbraw/zinc/08/36/23/135083623.db2.gz JCVXEOKSMWMAOC-IJLUTSLNSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@H]1c2ccsc2CC[N@H+]1CCOCC[NH3+] ZINC000086435567 135084081 /nfs/dbraw/zinc/08/40/81/135084081.db2.gz MEDRGRRPUUAQLI-JTQLQIEISA-N 2 0 240.372 1.643 20 0 BDADRP Cc1ccccc1C[N@H+](C)CCOCC[NH3+] ZINC000086435462 135084355 /nfs/dbraw/zinc/08/43/55/135084355.db2.gz SYELAYFROUIJEW-UHFFFAOYSA-N 2 0 222.332 1.402 20 0 BDADRP Cc1c[nH+]ccc1NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252539992 135092336 /nfs/dbraw/zinc/09/23/36/135092336.db2.gz CBUZJFZLILZCRT-STQMWFEESA-N 2 0 247.342 1.665 20 0 BDADRP C[C@H]1CCC[C@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000086671289 135093399 /nfs/dbraw/zinc/09/33/99/135093399.db2.gz VOMUHXMJEAUHET-UONOGXRCSA-N 2 0 239.407 1.402 20 0 BDADRP CCC(CC)(CO)[NH2+]CC1CC[NH2+]CC1 ZINC000086701061 135094108 /nfs/dbraw/zinc/09/41/08/135094108.db2.gz WSBJYSCHVUPRDP-UHFFFAOYSA-N 2 0 214.353 1.127 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@H]1CCCOC1 ZINC000252682036 135095237 /nfs/dbraw/zinc/09/52/37/135095237.db2.gz BMBHQQQCSRGEHT-VXGBXAGGSA-N 2 0 212.337 1.097 20 0 BDADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC[C@H]1CCCO1 ZINC000252688915 135097210 /nfs/dbraw/zinc/09/72/10/135097210.db2.gz PSOQIHLSVWJVDI-OLZOCXBDSA-N 2 0 228.380 1.861 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCSCCCO ZINC000252711359 135099699 /nfs/dbraw/zinc/09/96/99/135099699.db2.gz JINLJPYSDZXLFT-NWDGAFQWSA-N 2 0 246.420 1.032 20 0 BDADRP Cc1ncccc1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261568082 135109711 /nfs/dbraw/zinc/10/97/11/135109711.db2.gz FHCPVURVTGSRKH-ZDUSSCGKSA-N 2 0 219.332 1.561 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CCC[C@H]1C1CCC1 ZINC000261561195 135109915 /nfs/dbraw/zinc/10/99/15/135109915.db2.gz ALNNCEDSSFGSJB-LBPRGKRZSA-N 2 0 212.337 1.226 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(C)COC1 ZINC000087197224 135112449 /nfs/dbraw/zinc/11/24/49/135112449.db2.gz NOTFGIYFFXMXGK-UTUOFQBUSA-N 2 0 226.364 1.341 20 0 BDADRP C[C@]1(C[NH2+]C[C@H]2CCC[NH2+]C2)CCCO1 ZINC000087255625 135116006 /nfs/dbraw/zinc/11/60/06/135116006.db2.gz CUXPFDNNXSGJPO-NWDGAFQWSA-N 2 0 212.337 1.145 20 0 BDADRP CC[C@H](CCO)[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000253018406 135119308 /nfs/dbraw/zinc/11/93/08/135119308.db2.gz IMPKYDGEUWTFCP-ZOBORPQBSA-N 2 0 240.391 1.658 20 0 BDADRP CN(C[C@H]1CCC[NH2+]C1)C[C@@H]1CCC[N@H+](C)C1 ZINC000258945232 135136142 /nfs/dbraw/zinc/13/61/42/135136142.db2.gz IEVYYTKYJDFZBR-UONOGXRCSA-N 2 0 239.407 1.260 20 0 BDADRP C(C1CCOCC1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257674227 135139227 /nfs/dbraw/zinc/13/92/27/135139227.db2.gz JGGZEDFLBCRQDQ-UHFFFAOYSA-N 2 0 238.375 1.489 20 0 BDADRP Cc1cnc(C[NH+]2CCC3(CC[NH2+]C3)CC2)o1 ZINC000257696249 135140090 /nfs/dbraw/zinc/14/00/90/135140090.db2.gz OYIIFLALUKEUJA-UHFFFAOYSA-N 2 0 235.331 1.559 20 0 BDADRP C(C1CCCC1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000257735212 135141056 /nfs/dbraw/zinc/14/10/56/135141056.db2.gz RODRMICJLYZYDT-AWEZNQCLSA-N 2 0 237.391 1.156 20 0 BDADRP C([C@H]1CCCOC1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257741629 135141255 /nfs/dbraw/zinc/14/12/55/135141255.db2.gz YZNVDTSEKMVKHY-CHWSQXEVSA-N 2 0 224.348 1.098 20 0 BDADRP C[C@H]([NH3+])CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000257760434 135141624 /nfs/dbraw/zinc/14/16/24/135141624.db2.gz VJHSJANYUGJRMP-QWHCGFSZSA-N 2 0 225.380 1.284 20 0 BDADRP c1cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)ccn1 ZINC000259413153 135142625 /nfs/dbraw/zinc/14/26/25/135142625.db2.gz YRCSOODMJWDEKM-HNNXBMFYSA-N 2 0 245.370 1.903 20 0 BDADRP Cc1[nH+]ccc(N2CCC[C@H]([NH3+])C2)c1Cl ZINC000261530819 135159319 /nfs/dbraw/zinc/15/93/19/135159319.db2.gz DFNLFBBEZJQLKM-VIFPVBQESA-N 2 0 225.723 1.971 20 0 BDADRP Cc1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)cn1 ZINC000087647174 135161301 /nfs/dbraw/zinc/16/13/01/135161301.db2.gz UHYQBLUSRNFOOW-LBPRGKRZSA-N 2 0 219.332 1.479 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000261532423 135162857 /nfs/dbraw/zinc/16/28/57/135162857.db2.gz BHOMRQMRARBTGN-XQQFMLRXSA-N 2 0 226.364 1.663 20 0 BDADRP CN1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000261535275 135169691 /nfs/dbraw/zinc/16/96/91/135169691.db2.gz XTCSEBDHTWAFJC-XQQFMLRXSA-N 2 0 225.380 1.188 20 0 BDADRP Cc1[nH+]ccc(N2C[C@H](C)[C@H]([NH3+])C2)c1Cl ZINC000261535927 135170747 /nfs/dbraw/zinc/17/07/47/135170747.db2.gz PRNLKRTXDFZRHO-IONNQARKSA-N 2 0 225.723 1.827 20 0 BDADRP C[C@]1(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])CCCS1 ZINC000087793228 135172055 /nfs/dbraw/zinc/17/20/55/135172055.db2.gz JIXMTYUDMHKPPU-GRYCIOLGSA-N 2 0 228.405 1.989 20 0 BDADRP C(C1CCCC1)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261538078 135175247 /nfs/dbraw/zinc/17/52/47/135175247.db2.gz XJKWQILQZPZPGK-QWHCGFSZSA-N 2 0 208.349 1.860 20 0 BDADRP Cc1noc(C)c1C[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000261538309 135175830 /nfs/dbraw/zinc/17/58/30/135175830.db2.gz ZELCKBZFYYUCOG-NWDGAFQWSA-N 2 0 237.347 1.899 20 0 BDADRP Cc1[nH+]ccc(N2CC[C@@H]([NH3+])[C@H]2C)c1Cl ZINC000261538954 135177320 /nfs/dbraw/zinc/17/73/20/135177320.db2.gz ZZDPIXMTMIZUIY-RKDXNWHRSA-N 2 0 225.723 1.969 20 0 BDADRP C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000261539344 135177643 /nfs/dbraw/zinc/17/76/43/135177643.db2.gz CEIHLMAIGROKGF-UPJWGTAASA-N 2 0 208.349 1.718 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H](C)C1CCOCC1 ZINC000261540718 135180230 /nfs/dbraw/zinc/18/02/30/135180230.db2.gz HLAMFEXWTGGDFS-BZPMIXESSA-N 2 0 240.391 1.922 20 0 BDADRP CO[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CC[C@@H]1C ZINC000261541018 135181080 /nfs/dbraw/zinc/18/10/80/135181080.db2.gz IPJYECXBWVABDI-BFHYXJOUSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)CCS1 ZINC000261542679 135182972 /nfs/dbraw/zinc/18/29/72/135182972.db2.gz HDPYCFWMQMUFLH-RYUDHWBXSA-N 2 0 228.405 1.813 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])C1CCOCC1 ZINC000261543241 135184235 /nfs/dbraw/zinc/18/42/35/135184235.db2.gz RZDRSMSCOIAQDU-FPMFFAJLSA-N 2 0 240.391 1.909 20 0 BDADRP CO[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)[C@H](C)C1 ZINC000261544741 135186294 /nfs/dbraw/zinc/18/62/94/135186294.db2.gz ZNGNEZAWEMGFMP-AAVRWANBSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]1C[C@H](NCC[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000261548900 135187424 /nfs/dbraw/zinc/18/74/24/135187424.db2.gz OAOPSRSJSOXDDF-OCCSQVGLSA-N 2 0 233.359 1.198 20 0 BDADRP CC(C)COCCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000084218181 135193011 /nfs/dbraw/zinc/19/30/11/135193011.db2.gz DSZGUPLDUBHZSE-CHWSQXEVSA-N 2 0 228.380 1.766 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000084216687 135193018 /nfs/dbraw/zinc/19/30/18/135193018.db2.gz CVURJXWSTSIQKH-XVSSEFHLSA-N 3 0 225.380 1.363 20 0 BDADRP C[C@H](O)C[C@@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261553876 135193803 /nfs/dbraw/zinc/19/38/03/135193803.db2.gz OJIYMEXOZSVMDN-JSGCOSHPSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@H]1C[C@@H]1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261554201 135193821 /nfs/dbraw/zinc/19/38/21/135193821.db2.gz UAYHTNAICXZIKO-NWDGAFQWSA-N 2 0 208.349 1.718 20 0 BDADRP c1cncc(CC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261557795 135198782 /nfs/dbraw/zinc/19/87/82/135198782.db2.gz SBRUGBYNWDLMOC-ZIAGYGMSSA-N 2 0 231.343 1.165 20 0 BDADRP C([C@H]1CCC[NH2+]C1)[N@@H+]1CC[C@H](C2CC2)C1 ZINC000261560066 135200326 /nfs/dbraw/zinc/20/03/26/135200326.db2.gz ZMCNCLMPIYBPAL-AAEUAGOBSA-N 2 0 208.349 1.718 20 0 BDADRP Cc1ncccc1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000261561430 135202433 /nfs/dbraw/zinc/20/24/33/135202433.db2.gz VLGRFMLBHPUJSX-AAEUAGOBSA-N 2 0 233.359 1.949 20 0 BDADRP COCC1(C[NH2+][C@H]2CCC[C@H]2C[NH3+])CCC1 ZINC000261568740 135210401 /nfs/dbraw/zinc/21/04/01/135210401.db2.gz FURRKIAPTHYYGC-RYUDHWBXSA-N 2 0 226.364 1.520 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](CCc2cccnc2)C1 ZINC000261576663 135218311 /nfs/dbraw/zinc/21/83/11/135218311.db2.gz KMUWDTCYXIPAQA-CYBMUJFWSA-N 2 0 219.332 1.295 20 0 BDADRP Cc1ncsc1CC[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261581741 135222215 /nfs/dbraw/zinc/22/22/15/135222215.db2.gz NVWAKPAMQSUYLC-GFCCVEGCSA-N 2 0 239.388 1.665 20 0 BDADRP Cc1ncccc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000261583870 135225365 /nfs/dbraw/zinc/22/53/65/135225365.db2.gz PHXDRUZNHSNPSU-LBPRGKRZSA-N 2 0 219.332 1.561 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000261587639 135228595 /nfs/dbraw/zinc/22/85/95/135228595.db2.gz RWLZTKUCEFFHQC-CYDGBPFRSA-N 2 0 226.364 1.255 20 0 BDADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(F)c1 ZINC000261589334 135229768 /nfs/dbraw/zinc/22/97/68/135229768.db2.gz TVFMTBRAUHDPEQ-GWCFXTLKSA-N 2 0 222.307 1.913 20 0 BDADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccncc3)C[C@H]12 ZINC000261594309 135234572 /nfs/dbraw/zinc/23/45/72/135234572.db2.gz XLXOFCCMXQRUHU-RWMBFGLXSA-N 2 0 217.316 1.251 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000261596819 135235779 /nfs/dbraw/zinc/23/57/79/135235779.db2.gz YXXWHIGHEYKVOE-RVMXOQNASA-N 2 0 226.364 1.255 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](CC[C@H]2CCOC2)C1 ZINC000261596171 135235918 /nfs/dbraw/zinc/23/59/18/135235918.db2.gz YOVHKFXWZPGIFH-NWDGAFQWSA-N 2 0 212.337 1.084 20 0 BDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C[C@@H](C)[NH3+] ZINC000261687889 135245916 /nfs/dbraw/zinc/24/59/16/135245916.db2.gz BVQRRPNTOGTXAX-VXGBXAGGSA-N 2 0 241.379 1.104 20 0 BDADRP CC[C@]1(CO)CCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261684113 135246304 /nfs/dbraw/zinc/24/63/04/135246304.db2.gz AFCQOLYDOUUFKG-KGLIPLIRSA-N 2 0 240.391 1.471 20 0 BDADRP C[C@@H](O)C1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261714688 135247427 /nfs/dbraw/zinc/24/74/27/135247427.db2.gz FCEDGLLOFZBEOX-DGCLKSJQSA-N 2 0 226.364 1.079 20 0 BDADRP C[NH+](C)[C@@H]1CCCN(CC[NH2+]C(C)(C)C)C1 ZINC000084419716 135248698 /nfs/dbraw/zinc/24/86/98/135248698.db2.gz ZYQQBXMCIXCYPC-GFCCVEGCSA-N 2 0 227.396 1.401 20 0 BDADRP C[C@]1(C[NH+]2CCC(c3ncc[nH]3)CC2)CC[NH2+]C1 ZINC000261756319 135250034 /nfs/dbraw/zinc/25/00/34/135250034.db2.gz KVUJKZHVSUVNIO-AWEZNQCLSA-N 2 0 248.374 1.589 20 0 BDADRP CC[C@@]1(CO)CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261780267 135252387 /nfs/dbraw/zinc/25/23/87/135252387.db2.gz FIGVGHYNORPXBU-ZDUSSCGKSA-N 2 0 226.364 1.223 20 0 BDADRP CC(C)n1nccc1CN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000261796108 135253433 /nfs/dbraw/zinc/25/34/33/135253433.db2.gz GPHJXQAIDFGZEA-NWDGAFQWSA-N 2 0 236.363 1.633 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000261833777 135256224 /nfs/dbraw/zinc/25/62/24/135256224.db2.gz JIIBOUWMLFHXBU-RDBSUJKOSA-N 2 0 238.375 1.344 20 0 BDADRP COCC[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261880378 135260137 /nfs/dbraw/zinc/26/01/37/135260137.db2.gz YMJNXCGFXOCAGM-KGLIPLIRSA-N 2 0 234.343 1.307 20 0 BDADRP Cc1cc(C[NH+](C)C)cc(NC(=O)C[C@H](C)[NH3+])c1 ZINC000261904647 135261507 /nfs/dbraw/zinc/26/15/07/135261507.db2.gz ZVWINHREIWMXIF-NSHDSACASA-N 2 0 249.358 1.732 20 0 BDADRP COC(=O)C(C)(C)CC[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000261975074 135268922 /nfs/dbraw/zinc/26/89/22/135268922.db2.gz QQXZKNKRAPZIBB-GHMZBOCLSA-N 2 0 242.363 1.245 20 0 BDADRP C[NH2+]CCC1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000261991603 135269464 /nfs/dbraw/zinc/26/94/64/135269464.db2.gz MGTOKINDAAJDKX-AWEZNQCLSA-N 3 0 239.407 1.308 20 0 BDADRP Cc1cccnc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262004008 135271511 /nfs/dbraw/zinc/27/15/11/135271511.db2.gz LPGHURNRCVEIQP-UHFFFAOYSA-N 2 0 245.370 1.966 20 0 BDADRP CC[N@H+](C)C[C@@H]1CCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000262006825 135272353 /nfs/dbraw/zinc/27/23/53/135272353.db2.gz LWVNYZFQGFZIEJ-UONOGXRCSA-N 2 0 239.407 1.260 20 0 BDADRP COC[C@H]1CCCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262044696 135275910 /nfs/dbraw/zinc/27/59/10/135275910.db2.gz PPJNTWBATUJNHI-KBPBESRZSA-N 2 0 240.391 1.735 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCOCC(F)F)C[C@@H]21 ZINC000262116248 135279274 /nfs/dbraw/zinc/27/92/74/135279274.db2.gz LHPZRZHIOOWVGK-OUAUKWLOSA-N 2 0 248.317 1.327 20 0 BDADRP C[N@H+](C[C@@H]1CCCC[C@@H]1O)C[C@]1(C)CC[NH2+]C1 ZINC000262106159 135280024 /nfs/dbraw/zinc/28/00/24/135280024.db2.gz VYTCJJWKTKUKGA-MELADBBJSA-N 2 0 240.391 1.469 20 0 BDADRP CCCN(CCOCC(F)F)[C@H]1CC[NH2+]C1 ZINC000262193405 135285654 /nfs/dbraw/zinc/28/56/54/135285654.db2.gz ZBKXRLQIFHOAAA-JTQLQIEISA-N 2 0 236.306 1.342 20 0 BDADRP CCCN(CC1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC000262229729 135286467 /nfs/dbraw/zinc/28/64/67/135286467.db2.gz NQPBWKPNUGORBB-ZDUSSCGKSA-N 2 0 225.380 1.060 20 0 BDADRP c1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)CO2 ZINC000262248899 135288283 /nfs/dbraw/zinc/28/82/83/135288283.db2.gz PUBYGRIWPUZARK-GXTWGEPZSA-N 2 0 246.354 1.579 20 0 BDADRP CC(C)[C@@H](C(=O)N(C)CC(C)(C)C[NH3+])[NH+](C)C ZINC000262581074 135306364 /nfs/dbraw/zinc/30/63/64/135306364.db2.gz JPVXKTQADXYRTM-NSHDSACASA-N 2 0 243.395 1.016 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000262600504 135307934 /nfs/dbraw/zinc/30/79/34/135307934.db2.gz OLKVWBDHKMEMAI-GRYCIOLGSA-N 2 0 241.379 1.138 20 0 BDADRP CC(C)[C@@](C)(C[NH3+])NC(=O)CCCCCC[NH3+] ZINC000262626119 135309375 /nfs/dbraw/zinc/30/93/75/135309375.db2.gz LTNRCFFMJUFROD-CYBMUJFWSA-N 2 0 243.395 1.385 20 0 BDADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(C)(C)[NH3+] ZINC000262653155 135311075 /nfs/dbraw/zinc/31/10/75/135311075.db2.gz SHPPRYXKVQTIGJ-NSHDSACASA-N 2 0 241.379 1.057 20 0 BDADRP Cc1cnc(CN2CC[C@H]3CC[N@H+](C)C[C@@H]32)n1C ZINC000342779097 135317853 /nfs/dbraw/zinc/31/78/53/135317853.db2.gz OLPGLMBUTMRGEA-OLZOCXBDSA-N 2 0 248.374 1.255 20 0 BDADRP C[C@H]([NH3+])CCC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000262892749 135323498 /nfs/dbraw/zinc/32/34/98/135323498.db2.gz XAJDAAFDFAAHLM-CMPLNLGQSA-N 2 0 241.379 1.138 20 0 BDADRP CC1CC[NH+](C[C@@H]2CCCN(CC[NH3+])C2)CC1 ZINC000262939700 135324294 /nfs/dbraw/zinc/32/42/94/135324294.db2.gz IRCPJISGEXBZCB-CQSZACIVSA-N 2 0 239.407 1.389 20 0 BDADRP Cc1cnc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1C ZINC000342775904 135326974 /nfs/dbraw/zinc/32/69/74/135326974.db2.gz FZANHNKIGYVUNG-OLZOCXBDSA-N 2 0 248.374 1.397 20 0 BDADRP Cc1n[nH]c(C)c1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000334312620 135351415 /nfs/dbraw/zinc/35/14/15/135351415.db2.gz UIXQGXRCJYQWLU-LDYMZIIASA-N 2 0 222.336 1.196 20 0 BDADRP c1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c[nH]1 ZINC000080773808 135385127 /nfs/dbraw/zinc/38/51/27/135385127.db2.gz KZXYKJJOJGOHSW-GFCCVEGCSA-N 2 0 219.332 1.589 20 0 BDADRP Cn1nccc1CN1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000334410650 135392558 /nfs/dbraw/zinc/39/25/58/135392558.db2.gz KPBNYZXEJHPQPA-TZMCWYRMSA-N 2 0 248.374 1.336 20 0 BDADRP CC(C)(C)[NH+]1CCC(N[C@@H]2CC[NH2+]C2)CC1 ZINC000086728839 135495424 /nfs/dbraw/zinc/49/54/24/135495424.db2.gz DBYNVBSGUFORGO-GFCCVEGCSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C2CCC([NH3+])CC2)CS1 ZINC000086935813 135499153 /nfs/dbraw/zinc/49/91/53/135499153.db2.gz RBKOONRLPRYWDM-IDWGSYCQSA-N 2 0 214.378 1.740 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@H]1C[NH3+])c1ccncc1 ZINC000088169916 135516590 /nfs/dbraw/zinc/51/65/90/135516590.db2.gz GUFDBIKPXNLDRX-WCFLWFBJSA-N 2 0 219.332 1.860 20 0 BDADRP CCC[NH2+]CCNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000347654925 136001449 /nfs/dbraw/zinc/00/14/49/136001449.db2.gz UQIFIIZUEQXXLK-UHFFFAOYSA-N 2 0 247.342 1.019 20 0 BDADRP CCCC[N@H+](CCO)CC[C@@H]1CCC[NH+]1C ZINC000348080885 136034358 /nfs/dbraw/zinc/03/43/58/136034358.db2.gz NGWXKVHZGYPDON-ZDUSSCGKSA-N 2 0 228.380 1.565 20 0 BDADRP CC[C@H]1CC[C@@H]1[NH2+]CCCC[NH+]1CCOCC1 ZINC000348091938 136035703 /nfs/dbraw/zinc/03/57/03/136035703.db2.gz ZEIYYZLLEUULJD-KBPBESRZSA-N 2 0 240.391 1.877 20 0 BDADRP CC[C@H]1CC[C@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000348107148 136036963 /nfs/dbraw/zinc/03/69/63/136036963.db2.gz VBFZRMPRCFBXGR-UONOGXRCSA-N 2 0 239.407 1.402 20 0 BDADRP c1nc2c([nH]1)C[C@H]([NH2+]Cc1cccnc1)CC2 ZINC000335326092 136051692 /nfs/dbraw/zinc/05/16/92/136051692.db2.gz WOSOVTNYEAYPPO-LLVKDONJSA-N 2 0 228.299 1.452 20 0 BDADRP Cc1ccc(C[NH2+][C@H]2CCc3nc[nH]c3C2)o1 ZINC000335325937 136051732 /nfs/dbraw/zinc/05/17/32/136051732.db2.gz KYGYYABITVEJQF-JTQLQIEISA-N 2 0 231.299 1.958 20 0 BDADRP Cc1ccncc1CCC[N@@H+](C)C1CC(O)C1 ZINC000348229116 136060259 /nfs/dbraw/zinc/06/02/59/136060259.db2.gz JLNQGIMMAPPISJ-UHFFFAOYSA-N 2 0 234.343 1.778 20 0 BDADRP C[C@@H](C[NH+](C)C)NC1CC[NH+](C(C)(C)C)CC1 ZINC000348296893 136062969 /nfs/dbraw/zinc/06/29/69/136062969.db2.gz XXGKSKWXSXFSMO-LBPRGKRZSA-N 2 0 241.423 1.789 20 0 BDADRP C[C@@]1(CN2C[C@@H]([NH3+])Cc3ccccc32)CC[NH2+]C1 ZINC000335354880 136070960 /nfs/dbraw/zinc/07/09/60/136070960.db2.gz CAKGZTNOJUABRZ-DZGCQCFKSA-N 2 0 245.370 1.376 20 0 BDADRP [NH3+][C@@H]1Cc2ccccc2N(C[C@@H]2CCC[NH2+]C2)C1 ZINC000335359239 136075271 /nfs/dbraw/zinc/07/52/71/136075271.db2.gz WFPQRIRUNYMZIA-TZMCWYRMSA-N 2 0 245.370 1.376 20 0 BDADRP C[C@@H]1CCNC[C@@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000335566772 136107691 /nfs/dbraw/zinc/10/76/91/136107691.db2.gz WCVHDCDOYHHVTC-OLZOCXBDSA-N 2 0 239.407 1.306 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+](C[C@H]3CCCCO3)C2)C1 ZINC000335569721 136108561 /nfs/dbraw/zinc/10/85/61/136108561.db2.gz CENMHZXNWDTHGA-KGLIPLIRSA-N 2 0 238.375 1.583 20 0 BDADRP CC[C@H](C[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C)OC ZINC000310000137 397873432 /nfs/dbraw/zinc/87/34/32/397873432.db2.gz DNKROUVBWPMMAV-CYZMBNFOSA-N 2 0 226.364 1.484 20 0 BDADRP CC[C@@H]1C[C@H]1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000388006863 397942438 /nfs/dbraw/zinc/94/24/38/397942438.db2.gz MYBJHDHFDXYLDQ-FRRDWIJNSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000082581740 397955936 /nfs/dbraw/zinc/95/59/36/397955936.db2.gz IVDJTRCDBDBIBA-VXGBXAGGSA-N 2 0 226.364 1.472 20 0 BDADRP C1=C(C[NH2+][C@@H]2CCC[NH2+]CC2)COCC1 ZINC000379735187 397961488 /nfs/dbraw/zinc/96/14/88/397961488.db2.gz HGHATYIPZWNGQK-GFCCVEGCSA-N 2 0 210.321 1.065 20 0 BDADRP Cc1cc(CN(C)CC2CC[NH+](C)CC2)no1 ZINC000110116902 397901785 /nfs/dbraw/zinc/90/17/85/397901785.db2.gz YOXWIWGSWRUMOS-UHFFFAOYSA-N 2 0 237.347 1.757 20 0 BDADRP CC(C)OC1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647881177 397915981 /nfs/dbraw/zinc/91/59/81/397915981.db2.gz NWAZEUIJUNSKSK-GFCCVEGCSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)[C@@H]1CCCCO1 ZINC000383108894 398001025 /nfs/dbraw/zinc/00/10/25/398001025.db2.gz QLUURWDICMOIDE-MJBXVCDLSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](N(C)C[C@H]2CCC[NH+]2C)C1 ZINC000649624532 398005786 /nfs/dbraw/zinc/00/57/86/398005786.db2.gz JAVPOZGDNKTTEO-KGLIPLIRSA-N 2 0 239.407 1.495 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@H]2CCC[C@H]21 ZINC000383179182 398010237 /nfs/dbraw/zinc/01/02/37/398010237.db2.gz JLMVAPSKXCBWIW-HZSPNIEDSA-N 2 0 240.391 1.562 20 0 BDADRP C[NH2+][C@@H]1CCCN(C[C@H]([NH3+])CC(C)C)C1 ZINC000414672239 398012379 /nfs/dbraw/zinc/01/23/79/398012379.db2.gz NLUAMCOHJSBRFJ-VXGBXAGGSA-N 2 0 213.369 1.044 20 0 BDADRP C[NH2+]CC1CC[NH+](C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414672284 398013019 /nfs/dbraw/zinc/01/30/19/398013019.db2.gz NOMXALXJHLYEMS-OCCSQVGLSA-N 3 0 239.407 1.306 20 0 BDADRP Cn1ccnc1[C@@H]1CCC[N@H+](Cc2ccno2)C1 ZINC000373115393 398013664 /nfs/dbraw/zinc/01/36/64/398013664.db2.gz KAKUSJRDVHOFPV-LLVKDONJSA-N 2 0 246.314 1.788 20 0 BDADRP Cc1ccc(CNC[C@H](O)C[N@@H+](C)C2CC2)o1 ZINC000383480903 398021905 /nfs/dbraw/zinc/02/19/05/398021905.db2.gz ARXACATWFJKGBV-LBPRGKRZSA-N 2 0 238.331 1.133 20 0 BDADRP CC[NH2+][C@H](C)C(=O)Nc1ccccc1C[NH2+]C ZINC000637807866 398024043 /nfs/dbraw/zinc/02/40/43/398024043.db2.gz PVTPZOQMMUOHCV-SNVBAGLBSA-N 2 0 235.331 1.343 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000414826544 398048581 /nfs/dbraw/zinc/04/85/81/398048581.db2.gz FQEHQFGKWGMMEL-MJBXVCDLSA-N 3 0 239.407 1.306 20 0 BDADRP Cc1ccsc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085282320 398050133 /nfs/dbraw/zinc/05/01/33/398050133.db2.gz OOTNZOOJYSOJMY-PHIMTYICSA-N 2 0 222.357 1.708 20 0 BDADRP CC[C@@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000186600307 398069683 /nfs/dbraw/zinc/06/96/83/398069683.db2.gz ATRPTZKCJRBTSW-CHWSQXEVSA-N 2 0 227.396 1.401 20 0 BDADRP C[C@@H]1CCC[C@@H](C[NH2+]CCN2CC[NH2+]CC2)C1 ZINC000414887993 398082710 /nfs/dbraw/zinc/08/27/10/398082710.db2.gz RPLTZLHPENXDCM-ZIAGYGMSSA-N 2 0 239.407 1.308 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(CC3CC3)C2)[C@@H](C)O1 ZINC000648450012 398051924 /nfs/dbraw/zinc/05/19/24/398051924.db2.gz JJBIHJHTWAAQIL-RFHZTLPTSA-N 2 0 238.375 1.626 20 0 BDADRP CN(Cc1c[nH]cn1)CC1([NH+](C)C)CCC1 ZINC000280192612 398054586 /nfs/dbraw/zinc/05/45/86/398054586.db2.gz IFACRBNZZYETPY-UHFFFAOYSA-N 2 0 222.336 1.326 20 0 BDADRP CCn1cc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)cn1 ZINC000414845290 398055660 /nfs/dbraw/zinc/05/56/60/398055660.db2.gz GAARTAXYDFSSAX-LBPRGKRZSA-N 2 0 236.363 1.382 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+]CC1CC[NH+](C)CC1 ZINC000054242676 398101221 /nfs/dbraw/zinc/10/12/21/398101221.db2.gz DPVFFHHLFHEZIS-GFCCVEGCSA-N 2 0 236.363 1.203 20 0 BDADRP OCCCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062033264 398110595 /nfs/dbraw/zinc/11/05/95/398110595.db2.gz XCGJKIBYZQQPMN-UHFFFAOYSA-N 2 0 240.391 1.567 20 0 BDADRP C[C@@H](CCO)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623436378 398130264 /nfs/dbraw/zinc/13/02/64/398130264.db2.gz PGPQDISKVNFHKQ-NWDGAFQWSA-N 2 0 228.380 1.467 20 0 BDADRP CC(C)(C)C[C@H](CO)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000393518705 487574720 /nfs/dbraw/zinc/57/47/20/487574720.db2.gz MSKMQPKTPYNRPO-IJLUTSLNSA-N 2 0 228.380 1.643 20 0 BDADRP CC(C)OCCC[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000336755197 167215028 /nfs/dbraw/zinc/21/50/28/167215028.db2.gz XOEAUCIAGXASMI-RYUDHWBXSA-N 2 0 214.353 1.471 20 0 BDADRP CC(C)OCCC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000368318921 167214721 /nfs/dbraw/zinc/21/47/21/167214721.db2.gz UTVGBWLMBWXIMY-AWEZNQCLSA-N 2 0 240.391 1.829 20 0 BDADRP CC(C)OCCC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342088831 167217716 /nfs/dbraw/zinc/21/77/16/167217716.db2.gz AQVODVWQMOYNSS-MJBXVCDLSA-N 2 0 240.391 1.861 20 0 BDADRP CC(C)OCC[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000122346946 167234228 /nfs/dbraw/zinc/23/42/28/167234228.db2.gz LHPYLYUZHBXRHI-GHMZBOCLSA-N 2 0 200.326 1.081 20 0 BDADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)[C@@H]1CCOC1 ZINC000158662301 487585199 /nfs/dbraw/zinc/58/51/99/487585199.db2.gz OCFMEYLTNVFEPM-WCQYABFASA-N 2 0 226.364 1.391 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@H]2CCCC[C@H]2O)C1 ZINC000383099285 487587164 /nfs/dbraw/zinc/58/71/64/487587164.db2.gz ZOELDUUMQACSGO-REWJHTLYSA-N 2 0 240.391 1.597 20 0 BDADRP COC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1)C1CC1 ZINC000228163083 487594311 /nfs/dbraw/zinc/59/43/11/487594311.db2.gz HIFFUVSOJAFGJE-GXTWGEPZSA-N 2 0 240.391 1.731 20 0 BDADRP C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CCCCC1 ZINC000662248771 409549033 /nfs/dbraw/zinc/54/90/33/409549033.db2.gz DAMKBXKYTCKKRI-CYBMUJFWSA-N 2 0 238.375 1.772 20 0 BDADRP c1cnc2c(n1)CC[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000662314979 409635078 /nfs/dbraw/zinc/63/50/78/409635078.db2.gz CDXLNFOGZCGKCD-UHFFFAOYSA-N 2 0 246.358 1.224 20 0 BDADRP CO[C@@H](C[N@@H+]1CC[C@](C)(C[NH3+])C1)C1CCCC1 ZINC000662274792 409584466 /nfs/dbraw/zinc/58/44/66/409584466.db2.gz ZYDZMYHFHSWXJS-UONOGXRCSA-N 2 0 240.391 1.862 20 0 BDADRP CC(C)SCC[NH2+][C@H](C)CCC[NH3+] ZINC000308129547 167331840 /nfs/dbraw/zinc/33/18/40/167331840.db2.gz HOXXBWXLYMXDJW-SNVBAGLBSA-N 2 0 204.383 1.845 20 0 BDADRP Cc1ccc(CC[NH2+][C@H](C)CCC[NH3+])o1 ZINC000584047289 409791858 /nfs/dbraw/zinc/79/18/58/409791858.db2.gz GPFYEKQRARXWJV-SNVBAGLBSA-N 2 0 210.321 1.848 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)c1cccc2c1C[NH2+]C2 ZINC000662818850 409932874 /nfs/dbraw/zinc/93/28/74/409932874.db2.gz BFGOTCWGSAASSF-ZJUUUORDSA-N 2 0 247.342 1.145 20 0 BDADRP CCN(CC)C[C@@H](C)[NH2+][C@H](C)CCC[NH3+] ZINC000308888514 409935328 /nfs/dbraw/zinc/93/53/28/409935328.db2.gz XJQBCCNSIORPBS-VXGBXAGGSA-N 2 0 215.385 1.434 20 0 BDADRP C([C@@H]1CC[NH2+]C1)N1CC[NH+](C2CCCC2)CC1 ZINC000052061816 409940109 /nfs/dbraw/zinc/94/01/09/409940109.db2.gz KGAIPFJMMRNLDT-CYBMUJFWSA-N 2 0 237.391 1.156 20 0 BDADRP CC(C)C[N@H+](C)CCCNC(=O)CCCC[NH3+] ZINC000653176199 410151766 /nfs/dbraw/zinc/15/17/66/410151766.db2.gz MUVFDMLBCDGRGW-UHFFFAOYSA-N 2 0 243.395 1.210 20 0 BDADRP C[NH2+]Cc1ccccc1CNC(=O)CC[C@@H](C)[NH3+] ZINC000653214254 410166531 /nfs/dbraw/zinc/16/65/31/410166531.db2.gz NBRWSJSUDMDKME-LLVKDONJSA-N 2 0 249.358 1.150 20 0 BDADRP C[C@H]1CCCN(C(=O)CC(C)(C)[NH3+])[C@H]1CC[NH3+] ZINC000653233451 410175553 /nfs/dbraw/zinc/17/55/53/410175553.db2.gz WSMPWIKFWRGIIS-QWRGUYRKSA-N 2 0 241.379 1.090 20 0 BDADRP CCC[NH+]1CCC(N[C@@H](C)C[NH2+]C)CC1 ZINC000663514737 410284680 /nfs/dbraw/zinc/28/46/80/410284680.db2.gz SKMVJDNQHNZPOC-NSHDSACASA-N 2 0 213.369 1.058 20 0 BDADRP [NH3+]Cc1ccc(CNCC2(C[NH3+])CC2)c(F)c1 ZINC000650716954 410355390 /nfs/dbraw/zinc/35/53/90/410355390.db2.gz NZWYYZRJNFCECE-UHFFFAOYSA-N 2 0 237.322 1.113 20 0 BDADRP c1cc2c(c(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)c1)CCC2 ZINC000650703255 410335326 /nfs/dbraw/zinc/33/53/26/410335326.db2.gz RPLNYGQPEZORSK-GASCZTMLSA-N 2 0 242.366 1.827 20 0 BDADRP C[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)[C@@H]1CC[NH3+] ZINC000650712143 410341294 /nfs/dbraw/zinc/34/12/94/410341294.db2.gz SJDCVVJKDZBZGI-GXTWGEPZSA-N 3 0 239.407 1.435 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000650712072 410341410 /nfs/dbraw/zinc/34/14/10/410341410.db2.gz PRKKWRHGJDKTMO-RDBSUJKOSA-N 2 0 241.423 1.809 20 0 BDADRP [NH3+]CC1(CC[NH2+]Cc2cccs2)CC1 ZINC000650712129 410341837 /nfs/dbraw/zinc/34/18/37/410341837.db2.gz RHXIXDZMTLSZCZ-UHFFFAOYSA-N 2 0 210.346 1.967 20 0 BDADRP [NH3+]CC1(CC[NH2+]Cc2ccsc2)CC1 ZINC000650712195 410342158 /nfs/dbraw/zinc/34/21/58/410342158.db2.gz VYFNFQFMJBCECR-UHFFFAOYSA-N 2 0 210.346 1.967 20 0 BDADRP [NH3+]CC1(CC[NH2+]C[C@@H]2CCSC2)CC1 ZINC000650713887 410344312 /nfs/dbraw/zinc/34/43/12/410344312.db2.gz IECLNDBSRKATSQ-JTQLQIEISA-N 2 0 214.378 1.458 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[NH2+]CCC1(C[NH3+])CC1 ZINC000650713803 410344750 /nfs/dbraw/zinc/34/47/50/410344750.db2.gz CMXUHGSKCFDBRM-LLVKDONJSA-N 3 0 213.369 1.078 20 0 BDADRP CC(C)C[N@H+](C)CCCN[C@@H]1C[NH2+]CC[C@H]1C ZINC000650740404 410373201 /nfs/dbraw/zinc/37/32/01/410373201.db2.gz LYGSEUUCFMZAIO-ZIAGYGMSSA-N 2 0 241.423 1.552 20 0 BDADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)[C@H]1CCCOC1 ZINC000650745598 410382857 /nfs/dbraw/zinc/38/28/57/410382857.db2.gz KHBVEQXKPNNWEF-RYUDHWBXSA-N 2 0 226.364 1.520 20 0 BDADRP COC[C@H]([NH2+]CCC1(C[NH3+])CC1)C1CCCC1 ZINC000650747097 410384299 /nfs/dbraw/zinc/38/42/99/410384299.db2.gz RQLXAIJSDQSHHY-ZDUSSCGKSA-N 2 0 240.391 1.910 20 0 BDADRP [NH3+]CC1(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000650746026 410385995 /nfs/dbraw/zinc/38/59/95/410385995.db2.gz ULMWNQKYFFRZBM-QWHCGFSZSA-N 2 0 237.391 1.332 20 0 BDADRP CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650753679 410397963 /nfs/dbraw/zinc/39/79/63/410397963.db2.gz SRNYWFOGZDQIEU-UWVGGRQHSA-N 2 0 240.322 1.797 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000650755866 410399610 /nfs/dbraw/zinc/39/96/10/410399610.db2.gz OLGUQUPKJINEID-WFASDCNBSA-N 3 0 247.386 1.623 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CN(C)C[C@H]1C ZINC000650758471 410405101 /nfs/dbraw/zinc/40/51/01/410405101.db2.gz QKNPXZOMERFFPL-DOMZBBRYSA-N 2 0 247.386 1.446 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CCOC[C@@H]1C ZINC000650757024 410405171 /nfs/dbraw/zinc/40/51/71/410405171.db2.gz MNPPJORDAKJALC-WFASDCNBSA-N 2 0 248.370 1.921 20 0 BDADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000650761643 410410353 /nfs/dbraw/zinc/41/03/53/410410353.db2.gz GDXCIGJOLOBSSH-YPMHNXCESA-N 3 0 225.380 1.106 20 0 BDADRP C[C@H](CCCCO)[NH2+]CCC1CC[NH2+]CC1 ZINC000650763101 410412543 /nfs/dbraw/zinc/41/25/43/410412543.db2.gz RBVCEMWFXZGUFY-GFCCVEGCSA-N 2 0 228.380 1.517 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650762163 410412644 /nfs/dbraw/zinc/41/26/44/410412644.db2.gz VQDXMSHBHBAEAO-MNOVXSKESA-N 3 0 213.369 1.092 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650763651 410414821 /nfs/dbraw/zinc/41/48/21/410414821.db2.gz GNYHJWBQQCXBEE-GHMZBOCLSA-N 2 0 214.353 1.389 20 0 BDADRP CCC[N@H+](C)CC(C)(C)NC(=O)CC(C)(C)[NH3+] ZINC000664718220 410620476 /nfs/dbraw/zinc/62/04/76/410620476.db2.gz AIGXCGFMTYEJEJ-UHFFFAOYSA-N 2 0 243.395 1.350 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)CC[NH2+]1 ZINC000653279857 410631905 /nfs/dbraw/zinc/63/19/05/410631905.db2.gz BQQMLXJAAUAUGX-XQHKEYJVSA-N 3 0 225.380 1.186 20 0 BDADRP COC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])C1CCOCC1 ZINC000665236383 410726831 /nfs/dbraw/zinc/72/68/31/410726831.db2.gz LNSSRMWDYIHQJW-WZRBSPASSA-N 2 0 244.379 1.143 20 0 BDADRP CC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)C1CCC1 ZINC000665279566 410754964 /nfs/dbraw/zinc/75/49/64/410754964.db2.gz GFRWAUWPDYJEFY-YDGIUTOCSA-N 2 0 208.349 1.907 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000665282382 410760984 /nfs/dbraw/zinc/76/09/84/410760984.db2.gz WTDJSUXIZRFQSW-QJPTWQEYSA-N 2 0 214.353 1.517 20 0 BDADRP CO[C@H](C[NH2+][C@@H](C)C1C[NH2+]C1)C1CCCCC1 ZINC000665283017 410764292 /nfs/dbraw/zinc/76/42/92/410764292.db2.gz GFDWIDWXCTZMMD-SMDDNHRTSA-N 2 0 240.391 1.779 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000393862717 410764371 /nfs/dbraw/zinc/76/43/71/410764371.db2.gz KOBDQQQFVFBZOC-MCIONIFRSA-N 2 0 242.407 1.665 20 0 BDADRP CC[C@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)C(C)(C)O ZINC000394008842 410774454 /nfs/dbraw/zinc/77/44/54/410774454.db2.gz GWRNUBDGMGBBIX-YPMHNXCESA-N 2 0 242.407 1.856 20 0 BDADRP CCN(CC)C[C@H](C)[NH2+][C@H](C)CCC[NH3+] ZINC000308887957 410788187 /nfs/dbraw/zinc/78/81/87/410788187.db2.gz XJQBCCNSIORPBS-NEPJUHHUSA-N 2 0 215.385 1.434 20 0 BDADRP C[NH2+]C[C@H](C)N[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000665297810 410823385 /nfs/dbraw/zinc/82/33/85/410823385.db2.gz LZAFFJPLNYVOTE-LOWDOPEQSA-N 2 0 225.380 1.057 20 0 BDADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cccc(N)c1 ZINC000653299415 410818548 /nfs/dbraw/zinc/81/85/48/410818548.db2.gz SUAAUWQMZRGCLT-GWCFXTLKSA-N 2 0 219.332 1.580 20 0 BDADRP CC(C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000020200407 167098115 /nfs/dbraw/zinc/09/81/15/167098115.db2.gz SEOGTSWPGPYBHQ-UHFFFAOYSA-N 2 0 213.369 1.010 20 0 BDADRP CC(C)[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000037482877 167101992 /nfs/dbraw/zinc/10/19/92/167101992.db2.gz MANSBMMQUFKIJX-STQMWFEESA-N 2 0 228.380 1.874 20 0 BDADRP CC(C)[C@@H](C)[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000361583742 167380066 /nfs/dbraw/zinc/38/00/66/167380066.db2.gz MEMLWCCKIWJFOK-CYBMUJFWSA-N 2 0 242.407 1.856 20 0 BDADRP CC(C)[C@@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000336763040 167381023 /nfs/dbraw/zinc/38/10/23/167381023.db2.gz OTSKIEVLOHCYRY-LLVKDONJSA-N 2 0 214.353 1.077 20 0 BDADRP CC(C)[C@@H](O)C[NH2+][C@H](C)CCCC[NH3+] ZINC000336685123 167455807 /nfs/dbraw/zinc/45/58/07/167455807.db2.gz KKAZYEOPQVLSNQ-MNOVXSKESA-N 2 0 202.342 1.110 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@H](CO)CCF)[C@@H](C)C1 ZINC000652019084 410999236 /nfs/dbraw/zinc/99/92/36/410999236.db2.gz JIYCNMMVPJLCQP-SRVKXCTJSA-N 2 0 232.343 1.027 20 0 BDADRP CC[NH+](CC)[C@@H]1CCN(CC(C)(C)[NH3+])C1 ZINC000071137277 169796699 /nfs/dbraw/zinc/79/66/99/169796699.db2.gz QTNRYVNFCYBDOJ-LLVKDONJSA-N 2 0 213.369 1.140 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H](CO)CCF)CC1 ZINC000652024934 411081155 /nfs/dbraw/zinc/08/11/55/411081155.db2.gz PSCSXAPBTCOABL-LBPRGKRZSA-N 2 0 232.343 1.171 20 0 BDADRP CC(C)(C)[NH+]1CCC([NH2+][C@H](CO)CCF)CC1 ZINC000652020238 411023715 /nfs/dbraw/zinc/02/37/15/411023715.db2.gz POUAZHHDHDYXPA-LBPRGKRZSA-N 2 0 246.370 1.559 20 0 BDADRP CCN(CC)C[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000309322485 411028733 /nfs/dbraw/zinc/02/87/33/411028733.db2.gz HFDRYQUOZOGSAF-QWHCGFSZSA-N 2 0 229.412 1.824 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400936025 411163645 /nfs/dbraw/zinc/16/36/45/411163645.db2.gz ATIREPFPZLTZHH-DGAVXFQQSA-N 2 0 240.391 1.515 20 0 BDADRP CC(C)C[N@H+](C)CCCN[C@H]1C[NH+](C)C[C@H]1C ZINC000651865664 411147724 /nfs/dbraw/zinc/14/77/24/411147724.db2.gz CPUZCZURDWCWFF-KGLIPLIRSA-N 2 0 241.423 1.504 20 0 BDADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CO[C@H](C)C1 ZINC000651865147 411148038 /nfs/dbraw/zinc/14/80/38/411148038.db2.gz OVHNRCVCWAGKTI-OLZOCXBDSA-N 2 0 228.380 1.731 20 0 BDADRP c1nc(NC2CC[NH2+]CC2)cc(N2CCCC2)n1 ZINC000045948095 411150354 /nfs/dbraw/zinc/15/03/54/411150354.db2.gz NNIPGCVIKNNRMO-UHFFFAOYSA-N 2 0 247.346 1.241 20 0 BDADRP C[N@H+](C[C@@H]1CCCOC1)[C@@H]1CCC[NH2+]CC1 ZINC000082666939 411152402 /nfs/dbraw/zinc/15/24/02/411152402.db2.gz WFWLODQYNNXXKN-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP C[NH2+]CCC1CC[NH+]([C@@H](C)CCOC)CC1 ZINC000069730219 411158522 /nfs/dbraw/zinc/15/85/22/411158522.db2.gz SBTBSVARGHXCPP-LBPRGKRZSA-N 2 0 228.380 1.733 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@H]2CCSC2)CC[C@@H]1[NH3+] ZINC000300231729 411116527 /nfs/dbraw/zinc/11/65/27/411116527.db2.gz INXFWLATGFKOAH-UTUOFQBUSA-N 2 0 228.405 1.799 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(C)(C)O ZINC000401002697 411168625 /nfs/dbraw/zinc/16/86/25/411168625.db2.gz ACLHPTRLSZXFQF-XQHKEYJVSA-N 2 0 240.391 1.514 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C2CC2)C1 ZINC000653677736 411169281 /nfs/dbraw/zinc/16/92/81/411169281.db2.gz BUUYCSXGOBLBNI-KGLIPLIRSA-N 2 0 240.391 1.421 20 0 BDADRP C[NH2+]CCC1CC[NH+]([C@H](C)c2cnccn2)CC1 ZINC000070480077 411170646 /nfs/dbraw/zinc/17/06/46/411170646.db2.gz HMYUKDWPVJVNBB-GFCCVEGCSA-N 2 0 248.374 1.859 20 0 BDADRP c1cn(CCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000401049004 411174507 /nfs/dbraw/zinc/17/45/07/411174507.db2.gz XIXFPBOPCPQTHE-MGPQQGTHSA-N 2 0 248.374 1.251 20 0 BDADRP CC[C@H](O)CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401083159 411176574 /nfs/dbraw/zinc/17/65/74/411176574.db2.gz SWHZMYBDKGDTFJ-LPWJVIDDSA-N 2 0 226.364 1.125 20 0 BDADRP c1coc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000401118645 411176669 /nfs/dbraw/zinc/17/66/69/411176669.db2.gz IXCQPTKGICWJMY-YNEHKIRRSA-N 2 0 234.343 1.800 20 0 BDADRP Cc1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)n(C)n1 ZINC000401109845 411176706 /nfs/dbraw/zinc/17/67/06/411176706.db2.gz GXFNTVHQVHYWOY-JHJVBQTASA-N 2 0 248.374 1.206 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCOC1 ZINC000401153469 411177712 /nfs/dbraw/zinc/17/77/12/411177712.db2.gz QFJFFWQJASLSEX-XJFOESAGSA-N 2 0 238.375 1.391 20 0 BDADRP OCCCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401091140 411178294 /nfs/dbraw/zinc/17/82/94/411178294.db2.gz XZEXFMAYPHEHFO-YNEHKIRRSA-N 2 0 226.364 1.127 20 0 BDADRP Cc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)on1 ZINC000401136197 411178303 /nfs/dbraw/zinc/17/83/03/411178303.db2.gz QRUOHPOQWSRJBX-QJPTWQEYSA-N 2 0 235.331 1.461 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)C1CC[NH+](C)CC1 ZINC000652254988 411181328 /nfs/dbraw/zinc/18/13/28/411181328.db2.gz GXEZLSPYGAHASF-ASEORRQLSA-N 2 0 238.375 1.626 20 0 BDADRP CCO[C@@H]1C[N@H+](CC(CC)CC)C[C@H]1C[NH3+] ZINC000405855608 411191264 /nfs/dbraw/zinc/19/12/64/411191264.db2.gz LHSDFDAZMNDWHL-CHWSQXEVSA-N 2 0 228.380 1.718 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CO[C@H](C)C1 ZINC000402033846 411193404 /nfs/dbraw/zinc/19/34/04/411193404.db2.gz ZUPGSLGRMMQRJX-MXWKQRLJSA-N 2 0 200.326 1.271 20 0 BDADRP COC1([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)CCC1 ZINC000658018236 411198832 /nfs/dbraw/zinc/19/88/32/411198832.db2.gz PLLRCOGCXLWURJ-VXGBXAGGSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@@H]1CCCO1 ZINC000658098699 411245030 /nfs/dbraw/zinc/24/50/30/411245030.db2.gz SQSAFASVSBFMCQ-DRZSPHRISA-N 2 0 224.348 1.238 20 0 BDADRP COC[C@H](CC(C)(C)C)[NH2+]CCC[NH3+] ZINC000656193311 411200731 /nfs/dbraw/zinc/20/07/31/411200731.db2.gz FTLFHCHGWOKARE-JTQLQIEISA-N 2 0 202.342 1.376 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CCCC[C@H]1O ZINC000656197082 411201676 /nfs/dbraw/zinc/20/16/76/411201676.db2.gz BJJZEPDHGASUPG-REWJHTLYSA-N 2 0 240.391 1.787 20 0 BDADRP Cc1nccnc1CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000656199077 411202203 /nfs/dbraw/zinc/20/22/03/411202203.db2.gz KFTLZHUVKYQGHY-NEPJUHHUSA-N 2 0 234.347 1.187 20 0 BDADRP CCC1(O)CCC([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000656198194 411203090 /nfs/dbraw/zinc/20/30/90/411203090.db2.gz MKGMHEBMVJEMAR-NELGMTEASA-N 2 0 240.391 1.930 20 0 BDADRP CCC1(CC)CC[N@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000652338361 411204117 /nfs/dbraw/zinc/20/41/17/411204117.db2.gz XCQKFWFMVSBBSV-GFCCVEGCSA-N 2 0 228.380 1.469 20 0 BDADRP COCC1(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000656199945 411204713 /nfs/dbraw/zinc/20/47/13/411204713.db2.gz GYTGKKHCDSMHPF-GHMZBOCLSA-N 2 0 212.337 1.130 20 0 BDADRP C[C@@H](Cc1ccccn1)N[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000656201237 411206222 /nfs/dbraw/zinc/20/62/22/411206222.db2.gz LADZTLZSCVLJQC-SGMGOOAPSA-N 2 0 233.359 1.743 20 0 BDADRP O[C@H]1CCC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000652353357 411211801 /nfs/dbraw/zinc/21/18/01/411211801.db2.gz BLQHFKQUPPXUPT-ZDUSSCGKSA-N 2 0 226.364 1.223 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(O)cc2)C1 ZINC000656268292 411222557 /nfs/dbraw/zinc/22/25/57/411222557.db2.gz BAXHHBCCAMSENH-BETUJISGSA-N 2 0 234.343 1.822 20 0 BDADRP CS[C@H](C)C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422940630 411234506 /nfs/dbraw/zinc/23/45/06/411234506.db2.gz SYYPEWVCCVDVSY-VWYCJHECSA-N 2 0 216.394 1.988 20 0 BDADRP C[C@@H](CCCc1cccnc1)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000423173208 411236608 /nfs/dbraw/zinc/23/66/08/411236608.db2.gz XLJHKANPBTZJRC-STQMWFEESA-N 2 0 247.386 1.990 20 0 BDADRP CCC(O)(CC)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400974520 411167219 /nfs/dbraw/zinc/16/72/19/411167219.db2.gz RBRHYWNACNNHLS-JHJVBQTASA-N 2 0 240.391 1.515 20 0 BDADRP CC(C)n1ccnc1CN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000649419045 411284201 /nfs/dbraw/zinc/28/42/01/411284201.db2.gz CITKHBUFFNRQJT-QWHCGFSZSA-N 2 0 248.374 1.648 20 0 BDADRP C[C@H](CCNC(=[NH2+])N1CCC(C)CC1)[NH+](C)C ZINC000656508574 411288904 /nfs/dbraw/zinc/28/89/04/411288904.db2.gz OABCTCPTYUBXPQ-GFCCVEGCSA-N 2 0 240.395 1.583 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCc2ccoc2)CC[N@@H+]1C ZINC000658202068 411291377 /nfs/dbraw/zinc/29/13/77/411291377.db2.gz UPFZLGNAFRIDLK-DGCLKSJQSA-N 2 0 222.332 1.894 20 0 BDADRP COCC[C@H](C)[NH2+]C[C@H]1CCN1C(C)(C)C ZINC000656677003 411322685 /nfs/dbraw/zinc/32/26/85/411322685.db2.gz RUTXOVWXMLROSN-NWDGAFQWSA-N 2 0 228.380 1.874 20 0 BDADRP OCC1CC([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000658352811 411356338 /nfs/dbraw/zinc/35/63/38/411356338.db2.gz YVALBRGOZZKYKF-UHFFFAOYSA-N 2 0 238.375 1.221 20 0 BDADRP [NH3+]CCC[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656782546 411359414 /nfs/dbraw/zinc/35/94/14/411359414.db2.gz HJMLFPSAEPUYJE-CYBMUJFWSA-N 3 0 225.380 1.047 20 0 BDADRP C[C@@H](NCc1ccc2c(c1)C[NH2+]CC2)[C@H](C)[NH3+] ZINC000656784557 411361223 /nfs/dbraw/zinc/36/12/23/411361223.db2.gz BWSFUAIDBPKOCJ-WDEREUQCSA-N 2 0 233.359 1.158 20 0 BDADRP CC[C@H]1C[N@H+](CCC2CC[NH2+]CC2)[C@H](C)CO1 ZINC000403851484 411363160 /nfs/dbraw/zinc/36/31/60/411363160.db2.gz WRCSRLIGLWIKNJ-OCCSQVGLSA-N 2 0 240.391 1.875 20 0 BDADRP Nc1cccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000656786014 411364749 /nfs/dbraw/zinc/36/47/49/411364749.db2.gz SWSZYEHRYWABKJ-OLZOCXBDSA-N 2 0 219.332 1.628 20 0 BDADRP c1cc2c(cc1CNC[C@@H]1CCC[NH2+]1)C[NH2+]CC2 ZINC000656787050 411365774 /nfs/dbraw/zinc/36/57/74/411365774.db2.gz SEMULUXJIGJOFF-HNNXBMFYSA-N 2 0 245.370 1.174 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc2c(c1)C[NH2+]CC2 ZINC000656787466 411365962 /nfs/dbraw/zinc/36/59/62/411365962.db2.gz ZATAMRHOJFKCSO-LBPRGKRZSA-N 3 0 247.386 1.549 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc2c(c1)C[NH2+]CC2 ZINC000656786743 411366204 /nfs/dbraw/zinc/36/62/04/411366204.db2.gz QBIWGLHIKHRZSF-NEPJUHHUSA-N 3 0 247.386 1.548 20 0 BDADRP C1CC1[C@H]1CCC[C@@H]([NH2+][C@H]2CC[NH2+]C2)C1 ZINC000656788037 411367646 /nfs/dbraw/zinc/36/76/46/411367646.db2.gz KYOBMOLBSDIICD-XQQFMLRXSA-N 2 0 208.349 1.907 20 0 BDADRP Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000656791667 411371096 /nfs/dbraw/zinc/37/10/96/411371096.db2.gz KTHHXEPYPUXEMD-HIFRSBDPSA-N 2 0 245.370 1.988 20 0 BDADRP CC1(C[NH2+]CCCCC[NH+]2CCCC2)COC1 ZINC000339500685 168041491 /nfs/dbraw/zinc/04/14/91/168041491.db2.gz SFIUPQXJANVISW-UHFFFAOYSA-N 2 0 240.391 1.879 20 0 BDADRP CC1(F)CC([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000335008447 168052996 /nfs/dbraw/zinc/05/29/96/168052996.db2.gz UMJFUBUPLFRMLM-QTAHKJALSA-N 2 0 214.328 1.984 20 0 BDADRP CC1(F)CC([NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000335003570 168053956 /nfs/dbraw/zinc/05/39/56/168053956.db2.gz ASDBGRULYOJWSH-UHFFFAOYSA-N 2 0 214.328 1.984 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)[C@H]1CCC[NH2+]1 ZINC000403485238 411349059 /nfs/dbraw/zinc/34/90/59/411349059.db2.gz UANPTJLPGMHWBC-ZOLYEBIHSA-N 2 0 208.349 1.905 20 0 BDADRP Cc1c[nH+]ccc1NCC[N@H+]1CC=C(C)CC1 ZINC000359564806 168110896 /nfs/dbraw/zinc/11/08/96/168110896.db2.gz LLUFWJNLRIIJSI-UHFFFAOYSA-N 2 0 231.343 1.876 20 0 BDADRP C[C@H](C[C@H]1COCCN1)[NH2+]C1CC(C)C1 ZINC000123372399 168147873 /nfs/dbraw/zinc/14/78/73/168147873.db2.gz DJGXUWQYCWVCIK-RSJDFQLWSA-N 2 0 212.337 1.142 20 0 BDADRP CC1CC[NH+](CCC[NH2+][C@@H]2CCOC2)CC1 ZINC000070964855 168179851 /nfs/dbraw/zinc/17/98/51/168179851.db2.gz GSWRSQASFVWXCB-CYBMUJFWSA-N 2 0 226.364 1.487 20 0 BDADRP CC(C)[NH2+]CC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000659294139 411390101 /nfs/dbraw/zinc/39/01/01/411390101.db2.gz LYSICYGNVXMRMJ-NSHDSACASA-N 2 0 249.358 1.321 20 0 BDADRP COC(=O)C(C)(C)CC[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414865758 411455242 /nfs/dbraw/zinc/45/52/42/411455242.db2.gz ZSOGRGOCXQOMFO-LLVKDONJSA-N 2 0 242.363 1.165 20 0 BDADRP c1cc(C[NH2+]CC2CC2)n(-c2cc[nH+]cc2)n1 ZINC000657304763 411457011 /nfs/dbraw/zinc/45/70/11/411457011.db2.gz QMGVIHZHADWKMB-UHFFFAOYSA-N 2 0 228.299 1.767 20 0 BDADRP CCOCCC[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404370278 411392763 /nfs/dbraw/zinc/39/27/63/411392763.db2.gz IRFZZBCRKQBKQG-CHWSQXEVSA-N 2 0 228.380 1.862 20 0 BDADRP C[C@@H]1CCC[N@H+](C[C@@H]2CCOC2)[C@@H]1CC[NH3+] ZINC000404409880 411394252 /nfs/dbraw/zinc/39/42/52/411394252.db2.gz BYPHBYIXBKEEHY-FRRDWIJNSA-N 2 0 226.364 1.472 20 0 BDADRP FC1(F)CC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647795904 411401611 /nfs/dbraw/zinc/40/16/11/411401611.db2.gz YZWVXAZIBBDQON-OPRDCNLKSA-N 2 0 230.302 1.762 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@H]2CCOC(C)(C)C2)CC1 ZINC000070360443 411407819 /nfs/dbraw/zinc/40/78/19/411407819.db2.gz HAUYFMOMMVVCSE-ZDUSSCGKSA-N 2 0 240.391 1.875 20 0 BDADRP C([C@@H]1CC[NH2+]C1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000382657608 411409678 /nfs/dbraw/zinc/40/96/78/411409678.db2.gz SFCVYWOVXOZQSJ-KGLIPLIRSA-N 2 0 237.391 1.156 20 0 BDADRP C[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000647880307 411412579 /nfs/dbraw/zinc/41/25/79/411412579.db2.gz FCAVLJDYELXGIQ-HIFRSBDPSA-N 2 0 248.370 1.479 20 0 BDADRP C[C@H](O)C[N@@H+](Cc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000647880309 411412904 /nfs/dbraw/zinc/41/29/04/411412904.db2.gz FCAVLJDYELXGIQ-ZFWWWQNUSA-N 2 0 248.370 1.479 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCC[C@@H]1O)C1CC[NH+](C)CC1 ZINC000129924894 411423801 /nfs/dbraw/zinc/42/38/01/411423801.db2.gz HJSBNGXIRNZNTA-WXHSDQCUSA-N 2 0 226.364 1.220 20 0 BDADRP OCC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000122340648 411428103 /nfs/dbraw/zinc/42/81/03/411428103.db2.gz FPQMGPQBOGQSKO-RWMBFGLXSA-N 2 0 238.375 1.269 20 0 BDADRP C[NH2+]Cc1ccccc1NC(=O)C[NH2+]CC1CC1 ZINC000122673865 411434386 /nfs/dbraw/zinc/43/43/86/411434386.db2.gz FVMXOXZISMVBBY-UHFFFAOYSA-N 2 0 247.342 1.344 20 0 BDADRP C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000306285661 411441039 /nfs/dbraw/zinc/44/10/39/411441039.db2.gz JXUADLHGQYTHAD-XWLWVQCSSA-N 2 0 214.378 1.597 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@](C)(F)C2)CC[NH2+]1 ZINC000414755968 411443715 /nfs/dbraw/zinc/44/37/15/411443715.db2.gz IOJNFKVTLXEEGS-GRYCIOLGSA-N 2 0 214.328 1.808 20 0 BDADRP C[C@H]1C[C@H](C[N@H+](C)C2(CN)CCC2)CC[NH2+]1 ZINC000414789441 411446116 /nfs/dbraw/zinc/44/61/16/411446116.db2.gz OJOMCCAJGSYOFL-NWDGAFQWSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)NC[C@H]([NH3+])c1ccccc1 ZINC000414824617 411448168 /nfs/dbraw/zinc/44/81/68/411448168.db2.gz BACRLGUDSUXMRU-SNPRPXQTSA-N 2 0 247.386 1.807 20 0 BDADRP C[C@@H](CC[NH+](C)C)NCc1cnc2n1CCC2 ZINC000657335007 411471986 /nfs/dbraw/zinc/47/19/86/411471986.db2.gz JTKIYPLTSJNBDI-NSHDSACASA-N 2 0 236.363 1.259 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2cccc(O)c2)C1 ZINC000414994155 411480199 /nfs/dbraw/zinc/48/01/99/411480199.db2.gz LUJCRMKANSPYME-WCQYABFASA-N 2 0 234.343 1.999 20 0 BDADRP C[C@@H]([NH2+]CCC[NH3+])[C@H]1COc2ccccc21 ZINC000415088253 411491860 /nfs/dbraw/zinc/49/18/60/411491860.db2.gz VYJATYOEKRCNIY-ZYHUDNBSSA-N 2 0 220.316 1.490 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1CCCO1 ZINC000415089256 411491957 /nfs/dbraw/zinc/49/19/57/411491957.db2.gz YQUPMYRFPLQHGC-MQYQWHSLSA-N 2 0 240.391 1.922 20 0 BDADRP C[N@H+]1CC=C(C[NH2+]Cc2cnc3n2CCC3)CC1 ZINC000657426845 411503815 /nfs/dbraw/zinc/50/38/15/411503815.db2.gz GPPGGCGOIZOQTE-UHFFFAOYSA-N 2 0 246.358 1.181 20 0 BDADRP CC[NH2+]CC1CC[NH+]([C@H](C)c2cnccn2)CC1 ZINC000131462543 411534490 /nfs/dbraw/zinc/53/44/90/411534490.db2.gz INCCOKGOFDTISA-GFCCVEGCSA-N 2 0 248.374 1.859 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CCn3ccnc3C2)CO1 ZINC000657450107 411511867 /nfs/dbraw/zinc/51/18/67/411511867.db2.gz IMUIVGLNWIYYSQ-YNEHKIRRSA-N 2 0 249.358 1.603 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]C2CC([NH+](C)C)C2)C1 ZINC000655792477 411516228 /nfs/dbraw/zinc/51/62/28/411516228.db2.gz ZKUPEWYDNQVYJE-YWPUVAFDSA-N 2 0 226.364 1.626 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]C2CC([NH+](C)C)C2)CCO1 ZINC000655793046 411516352 /nfs/dbraw/zinc/51/63/52/411516352.db2.gz NJRJEUHXCPWEAT-IKWCTNDRSA-N 2 0 226.364 1.626 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccnn1C ZINC000655803913 411518911 /nfs/dbraw/zinc/51/89/11/411518911.db2.gz HYBLMPIWIQUNLW-SDDRHHMPSA-N 2 0 236.363 1.411 20 0 BDADRP C[C@H](CCCCO)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805026 411519153 /nfs/dbraw/zinc/51/91/53/411519153.db2.gz IRBDSCQKJQENEH-UPJWGTAASA-N 2 0 228.380 1.467 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)[C@@H]1C ZINC000655804086 411519356 /nfs/dbraw/zinc/51/93/56/411519356.db2.gz OSJALCRLNYOYRK-KVSVUVNWSA-N 2 0 210.365 1.961 20 0 BDADRP Cc1nccnc1[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805184 411519529 /nfs/dbraw/zinc/51/95/29/411519529.db2.gz KEQLFIFJGBERFY-UPJWGTAASA-N 2 0 248.374 1.776 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CCO1 ZINC000655805701 411520476 /nfs/dbraw/zinc/52/04/76/411520476.db2.gz RHMXXXMKBFZJEE-NDBYEHHHSA-N 2 0 226.364 1.484 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC000660000702 411526888 /nfs/dbraw/zinc/52/68/88/411526888.db2.gz ZIIAOJGCRANBCX-XQQFMLRXSA-N 2 0 228.380 1.560 20 0 BDADRP Cc1c[nH]c(C[NH2+]C(C)(C)CCC[NH+](C)C)n1 ZINC000657482054 411527013 /nfs/dbraw/zinc/52/70/13/411527013.db2.gz OLWJOSLEZRBXMB-UHFFFAOYSA-N 2 0 238.379 1.928 20 0 BDADRP COCC1(C[NH2+][C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000655816905 411528215 /nfs/dbraw/zinc/52/82/15/411528215.db2.gz GFUULPKDSNJEJX-GFCCVEGCSA-N 2 0 240.391 1.733 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)CO1 ZINC000657491136 411532016 /nfs/dbraw/zinc/53/20/16/411532016.db2.gz CGUIKWMHSPFDJX-BFHYXJOUSA-N 2 0 240.391 1.875 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cn[nH]c2)C1 ZINC000296026762 170007677 /nfs/dbraw/zinc/00/76/77/170007677.db2.gz PUMRYLSZAVXWIK-QWRGUYRKSA-N 2 0 222.336 1.402 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3n[nH]cc32)C1 ZINC000367596087 170009538 /nfs/dbraw/zinc/00/95/38/170009538.db2.gz DBDLQSPWQDWUHS-WCQYABFASA-N 2 0 248.374 1.719 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH+](C)CC2(C)COC2)[C@H](C)C1 ZINC000336714350 170010593 /nfs/dbraw/zinc/01/05/93/170010593.db2.gz TUEWRMYYWUDMMQ-CHWSQXEVSA-N 2 0 240.391 1.685 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@]2(C)CCCO2)C1 ZINC000340189016 170016641 /nfs/dbraw/zinc/01/66/41/170016641.db2.gz SIGVGVBEZJMWOJ-BFHYXJOUSA-N 2 0 240.391 1.875 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)C(C)C)C[C@H]1C ZINC000336710122 170017916 /nfs/dbraw/zinc/01/79/16/170017916.db2.gz OUVFDSAHVKAFNK-HZSPNIEDSA-N 2 0 242.407 1.808 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](C)O)C[C@H]1C ZINC000336691411 170017984 /nfs/dbraw/zinc/01/79/84/170017984.db2.gz LNZMECABCNOBID-WOPDTQHZSA-N 2 0 214.353 1.172 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCCO2)[C@@H](C)C1 ZINC000358024639 170020925 /nfs/dbraw/zinc/02/09/25/170020925.db2.gz RWGIJINRHXGBFQ-MJBXVCDLSA-N 2 0 240.391 1.875 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H](C)OC)[C@H](C)C1 ZINC000336777493 170021371 /nfs/dbraw/zinc/02/13/71/170021371.db2.gz IQJZUEDFBXPHOY-UPJWGTAASA-N 2 0 228.380 1.731 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cccnc2)[C@H](C)C1 ZINC000133479036 170021598 /nfs/dbraw/zinc/02/15/98/170021598.db2.gz VNWTWSIJNHDOPG-HIFRSBDPSA-N 2 0 247.386 1.944 20 0 BDADRP CC[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000336885762 170021991 /nfs/dbraw/zinc/02/19/91/170021991.db2.gz AWSZURGFQSPAHL-FRRDWIJNSA-N 2 0 225.380 1.010 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)C[C@@H](C)O)[C@H](C)C1 ZINC000336777293 170022982 /nfs/dbraw/zinc/02/29/82/170022982.db2.gz IAASXGZKKZLXKH-LPWJVIDDSA-N 2 0 228.380 1.466 20 0 BDADRP CC[NH2+]CC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000053659173 170111772 /nfs/dbraw/zinc/11/17/72/170111772.db2.gz MAFMPKXNFPLWOE-ZDUSSCGKSA-N 2 0 226.364 1.344 20 0 BDADRP CC[NH2+]CC1CC[NH+](Cc2ccnn2C)CC1 ZINC000131490641 170111833 /nfs/dbraw/zinc/11/18/33/170111833.db2.gz IWZXVLZPPMELQY-UHFFFAOYSA-N 2 0 236.363 1.242 20 0 BDADRP CC[NH2+]CCNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000236928832 170114471 /nfs/dbraw/zinc/11/44/71/170114471.db2.gz NYCUCQLCIGSBPK-AAEUAGOBSA-N 2 0 249.358 1.048 20 0 BDADRP CCOC(=O)C1CCC([NH2+]CCCC[NH3+])CC1 ZINC000336683792 170192560 /nfs/dbraw/zinc/19/25/60/170192560.db2.gz CJTGYURBPLVKAE-UHFFFAOYSA-N 2 0 242.363 1.437 20 0 BDADRP CCOC(=O)C[N@H+](CC1CC[NH2+]CC1)C(C)C ZINC000094026069 170216508 /nfs/dbraw/zinc/21/65/08/170216508.db2.gz PQOZODDNCIEKSD-UHFFFAOYSA-N 2 0 242.363 1.260 20 0 BDADRP CCOCC[N@H+](CC)CC[C@H]1CCC[NH2+]C1 ZINC000082537251 170394147 /nfs/dbraw/zinc/39/41/47/170394147.db2.gz JGPNHWORWLPJME-CYBMUJFWSA-N 2 0 228.380 1.735 20 0 BDADRP C([NH2+][C@@H]1CCOC1)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663345933 411632396 /nfs/dbraw/zinc/63/23/96/411632396.db2.gz PDOPOQKHZXNFIN-ZIAGYGMSSA-N 2 0 238.375 1.487 20 0 BDADRP CN(C[C@H](O)C[NH2+]CC1=CCCC1)C1CC1 ZINC000663363338 411637974 /nfs/dbraw/zinc/63/79/74/411637974.db2.gz JQQYYUJUYWGMOA-CYBMUJFWSA-N 2 0 224.348 1.141 20 0 BDADRP COC[C@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657813760 411604339 /nfs/dbraw/zinc/60/43/39/411604339.db2.gz ZJPCNPIKQRYMSN-LBPRGKRZSA-N 2 0 240.391 1.733 20 0 BDADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC1CC1)C2 ZINC000660655459 411613002 /nfs/dbraw/zinc/61/30/02/411613002.db2.gz IANWUSRWGHHGMR-ZDUSSCGKSA-N 2 0 208.349 1.814 20 0 BDADRP COC1([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)CCC1 ZINC000657872534 411614735 /nfs/dbraw/zinc/61/47/35/411614735.db2.gz NYSGKIMJMKFQBO-GFCCVEGCSA-N 2 0 240.391 1.875 20 0 BDADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCCCCO)C2 ZINC000660658159 411615016 /nfs/dbraw/zinc/61/50/16/411615016.db2.gz DAZQKWLUHQUFEA-AWEZNQCLSA-N 2 0 240.391 1.567 20 0 BDADRP Cc1cc(CO)cc(N[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000663424541 411654909 /nfs/dbraw/zinc/65/49/09/411654909.db2.gz DZSCEQJFDICMMF-GFCCVEGCSA-N 2 0 247.342 1.531 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCOCCF)CC[N@@H+]1C ZINC000663460671 411662094 /nfs/dbraw/zinc/66/20/94/411662094.db2.gz CMFSLRZFOUERLC-GHMZBOCLSA-N 2 0 218.316 1.045 20 0 BDADRP CC[NH2+]Cc1ccccc1NC[C@]12C[C@H]1C[NH2+]C2 ZINC000663493375 411672464 /nfs/dbraw/zinc/67/24/64/411672464.db2.gz HQKOWCDHYLMNRY-DZGCQCFKSA-N 2 0 245.370 1.818 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000663497661 411679430 /nfs/dbraw/zinc/67/94/30/411679430.db2.gz DVQWUTSSZFGATO-CYBMUJFWSA-N 2 0 249.358 1.249 20 0 BDADRP Cc1n[nH]cc1C[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000663498509 411682159 /nfs/dbraw/zinc/68/21/59/411682159.db2.gz ODIZLPSOFPAZCJ-LLVKDONJSA-N 2 0 210.325 1.181 20 0 BDADRP Cc1ccc(O)c(C[NH2+]CC[C@@H]([NH3+])C(C)C)n1 ZINC000663499319 411683916 /nfs/dbraw/zinc/68/39/16/411683916.db2.gz YAJMDCDEFRQECM-LLVKDONJSA-N 2 0 237.347 1.559 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000663502502 411685521 /nfs/dbraw/zinc/68/55/21/411685521.db2.gz IAMVQTFLRJEYOL-GRYCIOLGSA-N 2 0 213.369 1.219 20 0 BDADRP C[NH2+]C[C@H](C)NCc1ccc2c(c1)C[NH2+]CC2 ZINC000663512589 411695164 /nfs/dbraw/zinc/69/51/64/411695164.db2.gz GLENEGZSEZDYPL-NSHDSACASA-N 2 0 233.359 1.030 20 0 BDADRP CCC(C)(C)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000661231413 411733940 /nfs/dbraw/zinc/73/39/40/411733940.db2.gz MMYQEDDOLROBRS-DGCLKSJQSA-N 2 0 242.407 1.856 20 0 BDADRP CC(C)[NH+]1CCC(NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000232646784 487620492 /nfs/dbraw/zinc/62/04/92/487620492.db2.gz VOZKRJONTBNMKS-AWEZNQCLSA-N 2 0 239.407 1.591 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC2(COC2)C1 ZINC000662073770 411973566 /nfs/dbraw/zinc/97/35/66/411973566.db2.gz LYRRDXHZGINRJJ-LBPRGKRZSA-N 2 0 224.348 1.193 20 0 BDADRP CC[C@@H](O)C[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000338912216 170928168 /nfs/dbraw/zinc/92/81/68/170928168.db2.gz OGCQTDVZBVUYRB-CQSZACIVSA-N 2 0 242.407 1.811 20 0 BDADRP C[C@@H](CO)[C@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000662215023 412028406 /nfs/dbraw/zinc/02/84/06/412028406.db2.gz DSAQPNPWDIGGOC-GXTWGEPZSA-N 2 0 240.391 1.469 20 0 BDADRP CO[C@H](C[N@H+](C)C1CC[NH2+]CC1)C1CCCC1 ZINC000662238728 412034831 /nfs/dbraw/zinc/03/48/31/412034831.db2.gz UWVNAWSPRPSQPY-CQSZACIVSA-N 2 0 240.391 1.875 20 0 BDADRP C[N@H+](CCO[C@H]1CC1(F)F)C1CC[NH2+]CC1 ZINC000662238456 412035657 /nfs/dbraw/zinc/03/56/57/412035657.db2.gz QBTRLHNPBHZBBZ-JTQLQIEISA-N 2 0 234.290 1.094 20 0 BDADRP C[N@H+](C[C@H]1CC1(C)C)CC1CC[NH2+]CC1 ZINC000662237550 412035785 /nfs/dbraw/zinc/03/57/85/412035785.db2.gz WNFWQVFWGAZDQJ-GFCCVEGCSA-N 2 0 210.365 1.964 20 0 BDADRP C[C@H]1C[NH2+]CCN1Cc1cccc2c1CC[NH2+]C2 ZINC000662242735 412036817 /nfs/dbraw/zinc/03/68/17/412036817.db2.gz HUBINRRRNBVJBJ-LBPRGKRZSA-N 2 0 245.370 1.126 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CC[C@H]1[NH3+] ZINC000662242937 412037717 /nfs/dbraw/zinc/03/77/17/412037717.db2.gz FOIITAUPCVRVFJ-UJPOAAIJSA-N 2 0 208.349 1.702 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1)C1CCC1 ZINC000662243233 412038488 /nfs/dbraw/zinc/03/84/88/412038488.db2.gz GYBUIDVWTLTTOI-WCFLWFBJSA-N 2 0 226.364 1.471 20 0 BDADRP C[NH2+]CC1CC[NH+](Cc2cc(C)ncn2)CC1 ZINC000662244150 412039416 /nfs/dbraw/zinc/03/94/16/412039416.db2.gz DKTMLKMVBSSGQC-UHFFFAOYSA-N 2 0 234.347 1.216 20 0 BDADRP CC[C@H](CC(F)F)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000662245252 412041736 /nfs/dbraw/zinc/04/17/36/412041736.db2.gz JMCNDVPBJUQHTA-ZJUUUORDSA-N 2 0 220.307 1.948 20 0 BDADRP CO[C@H](C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1)C1CCC1 ZINC000662246372 412042924 /nfs/dbraw/zinc/04/29/24/412042924.db2.gz ROPLTMHPPIZTQZ-FPMFFAJLSA-N 2 0 240.391 1.861 20 0 BDADRP Cc1cc(CN2CCC[C@H]([C@H](C)[NH3+])C2)nc(C)n1 ZINC000662247484 412044163 /nfs/dbraw/zinc/04/41/63/412044163.db2.gz ZZOLLEZTBAKFSZ-AAEUAGOBSA-N 2 0 248.374 1.653 20 0 BDADRP CO[C@@H](C[N@@H+]1CC[C@@H](C[NH3+])C1)C1CCCC1 ZINC000662247555 412045190 /nfs/dbraw/zinc/04/51/90/412045190.db2.gz XPUFULZXVOHERZ-AAEUAGOBSA-N 2 0 226.364 1.472 20 0 BDADRP CC(C)C[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662251530 412048787 /nfs/dbraw/zinc/04/87/87/412048787.db2.gz GMOIABHHBWRFQQ-ZDUSSCGKSA-N 2 0 238.375 1.628 20 0 BDADRP C[N@H+](CC1CCCC1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662253255 412049495 /nfs/dbraw/zinc/04/94/95/412049495.db2.gz GVEFDJRXPULIDF-CYBMUJFWSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)[C@@H]1C ZINC000662259153 412053235 /nfs/dbraw/zinc/05/32/35/412053235.db2.gz RBOKMRDZMSYQNP-IJLUTSLNSA-N 2 0 224.348 1.238 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCO[C@@H]1CC1(F)F ZINC000662264325 412054482 /nfs/dbraw/zinc/05/44/82/412054482.db2.gz ILDVDOVSIWGQNW-OPRDCNLKSA-N 2 0 234.290 1.080 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)[C@H]1C ZINC000662259155 412054595 /nfs/dbraw/zinc/05/45/95/412054595.db2.gz RBOKMRDZMSYQNP-WOPDTQHZSA-N 2 0 224.348 1.238 20 0 BDADRP c1ccc2c(c1)C[NH+](C[C@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000662258799 412054640 /nfs/dbraw/zinc/05/46/40/412054640.db2.gz XTAFKBBVULWAQR-CQSZACIVSA-N 2 0 244.338 1.523 20 0 BDADRP C([C@@H]1C[C@H]2C[C@H]2C1)[N@@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000662264574 412056297 /nfs/dbraw/zinc/05/62/97/412056297.db2.gz DTJHEIJWKYDBIY-ITGHMWBKSA-N 2 0 220.360 1.859 20 0 BDADRP CC[C@@H]1CC[C@H](C)[N@@H+]1CCOCC[NH3+] ZINC000136250592 171053048 /nfs/dbraw/zinc/05/30/48/171053048.db2.gz NCTYCWHIQAYBIX-WDEREUQCSA-N 2 0 200.326 1.225 20 0 BDADRP C[N@H+](C[C@H](O)C[NH3+])C[C@H]1CCCCC1(C)C ZINC000662278645 412071602 /nfs/dbraw/zinc/07/16/02/412071602.db2.gz ZTWNGSRGRHBUMG-VXGBXAGGSA-N 2 0 228.380 1.454 20 0 BDADRP CC[C@@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)C[C@H]1O ZINC000341009153 171085136 /nfs/dbraw/zinc/08/51/36/171085136.db2.gz LMEPQFPIKUKNOE-MGPQQGTHSA-N 2 0 240.391 1.564 20 0 BDADRP C1=CCC(C[N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000662274384 412065068 /nfs/dbraw/zinc/06/50/68/412065068.db2.gz HCEXUPULNRCBDR-QWHCGFSZSA-N 2 0 206.333 1.636 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CC[NH2+]CC1(C)C)C1CCC1 ZINC000662275532 412067424 /nfs/dbraw/zinc/06/74/24/412067424.db2.gz BVXAROKVTMWQGG-CHWSQXEVSA-N 2 0 240.391 1.779 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC(CC)(CC)C[NH3+] ZINC000353179498 171146785 /nfs/dbraw/zinc/14/67/85/171146785.db2.gz BXKVUEFQBIRPEM-QWRGUYRKSA-N 2 0 241.379 1.008 20 0 BDADRP CC[C@@H]1CC[C@H](C)[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662279836 412070741 /nfs/dbraw/zinc/07/07/41/412070741.db2.gz MEYDOFZTHBUCHI-XQQFMLRXSA-N 2 0 238.375 1.770 20 0 BDADRP C(C[N@@H+]1CCC[C@@H]2OCC[C@@H]21)[C@@H]1CCC[NH2+]C1 ZINC000662297126 412083416 /nfs/dbraw/zinc/08/34/16/412083416.db2.gz BCGKOIWXOIHHKW-IHRRRGAJSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)[C@@H]1CCO ZINC000662302861 412083657 /nfs/dbraw/zinc/08/36/57/412083657.db2.gz OOXGVBJLEGGRDF-JHJVBQTASA-N 2 0 226.364 1.079 20 0 BDADRP CC[C@H](C(=O)NCC[N@@H+](C)[C@@H](C)CC)[NH+](C)C ZINC000126515224 171307156 /nfs/dbraw/zinc/30/71/56/171307156.db2.gz CXDNQKBAEVVXLY-NWDGAFQWSA-N 2 0 243.395 1.173 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@@H]1C[NH+](C)C[C@H]1C ZINC000336732936 171308894 /nfs/dbraw/zinc/30/88/94/171308894.db2.gz JSNVWNHWHNHHKQ-FRRDWIJNSA-N 2 0 227.396 1.256 20 0 BDADRP CC[C@H](C)NC(=O)CC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000129159761 171324248 /nfs/dbraw/zinc/32/42/48/171324248.db2.gz FHPSHTVIXQJRPV-RYUDHWBXSA-N 2 0 241.379 1.023 20 0 BDADRP C[C@H](CO)[C@@H]1CCCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000662300953 412085702 /nfs/dbraw/zinc/08/57/02/412085702.db2.gz NVYYFJVLHNNLAM-AGIUHOORSA-N 2 0 226.364 1.079 20 0 BDADRP COCCC[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662293312 412080894 /nfs/dbraw/zinc/08/08/94/412080894.db2.gz QJNSUCKEONUBKF-CQSZACIVSA-N 2 0 240.391 1.735 20 0 BDADRP COC[C@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662292513 412082275 /nfs/dbraw/zinc/08/22/75/412082275.db2.gz NJPFQRHLFHSCBD-GXTWGEPZSA-N 2 0 240.391 1.733 20 0 BDADRP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]([NH3+])[C@@H](C)CC ZINC000228509202 171395885 /nfs/dbraw/zinc/39/58/85/171395885.db2.gz CRJKPTLMDMLVAO-TUAOUCFPSA-N 2 0 243.395 1.206 20 0 BDADRP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000295222902 171396134 /nfs/dbraw/zinc/39/61/34/171396134.db2.gz MWYVHRZQQXHLLS-GWCFXTLKSA-N 2 0 249.358 1.718 20 0 BDADRP C[C@@H](c1ccncc1)N1CC2CC1(C[NH3+])C2 ZINC000662304624 412088200 /nfs/dbraw/zinc/08/82/00/412088200.db2.gz SBOJZXXRDPRWIB-ZBOXLXRLSA-N 2 0 217.316 1.566 20 0 BDADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000662311472 412093923 /nfs/dbraw/zinc/09/39/23/412093923.db2.gz SMMSYMSJMQZJDH-RYUDHWBXSA-N 2 0 232.343 1.028 20 0 BDADRP FCC[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000662312188 412094469 /nfs/dbraw/zinc/09/44/69/412094469.db2.gz XAZLQCWLYBTLIF-RYUDHWBXSA-N 2 0 214.328 1.668 20 0 BDADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662317069 412097938 /nfs/dbraw/zinc/09/79/38/412097938.db2.gz MKIOEENNWGMIJC-ZIAGYGMSSA-N 2 0 240.391 1.469 20 0 BDADRP CC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CC[NH2+]C1 ZINC000662319949 412100042 /nfs/dbraw/zinc/10/00/42/412100042.db2.gz RCTLZRKMFCJRDE-FOIKRFTLSA-N 2 0 208.349 1.859 20 0 BDADRP CCCC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321466 412101333 /nfs/dbraw/zinc/10/13/33/412101333.db2.gz ISESZOOGBPVFQG-ZDUSSCGKSA-N 2 0 228.380 1.829 20 0 BDADRP C[C@@H]([NH2+]CC1([NH3+])CCCC1)[C@@H]1CCCOC1 ZINC000665247717 412179154 /nfs/dbraw/zinc/17/91/54/412179154.db2.gz IRSODMCOVWUMKT-VXGBXAGGSA-N 2 0 226.364 1.663 20 0 BDADRP Cc1ccncc1CC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000665238932 412180077 /nfs/dbraw/zinc/18/00/77/412180077.db2.gz HVXJERDIVZNXPF-HIFRSBDPSA-N 2 0 247.386 1.910 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2([NH3+])CCCC2)CCO1 ZINC000665248215 412193176 /nfs/dbraw/zinc/19/31/76/412193176.db2.gz RYLCAMMNYMESPW-GHMZBOCLSA-N 2 0 212.337 1.415 20 0 BDADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NCC1([NH3+])CCCC1 ZINC000665249598 412195106 /nfs/dbraw/zinc/19/51/06/412195106.db2.gz UEVOTDXOURIQAR-AAEUAGOBSA-N 2 0 237.391 1.330 20 0 BDADRP CC[C@@H](O)C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000665261765 412204218 /nfs/dbraw/zinc/20/42/18/412204218.db2.gz KVANEVNQMRKHIF-BXKDBHETSA-N 2 0 237.347 1.270 20 0 BDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H](CC)[NH2+]C ZINC000662532579 412206929 /nfs/dbraw/zinc/20/69/29/412206929.db2.gz RRIITTALJGQOLB-RYUDHWBXSA-N 2 0 243.395 1.221 20 0 BDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)C[NH2+]C(C)C ZINC000662532109 412207666 /nfs/dbraw/zinc/20/76/66/412207666.db2.gz NHDXERAWESYWAB-LBPRGKRZSA-N 2 0 243.395 1.221 20 0 BDADRP C[NH2+]Cc1ccccc1NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662399669 412148548 /nfs/dbraw/zinc/14/85/48/412148548.db2.gz ZOYYTCCWFDKYJR-XYPYZODXSA-N 2 0 233.315 1.082 20 0 BDADRP COC[C@@H](CC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)OC ZINC000665235018 412163561 /nfs/dbraw/zinc/16/35/61/412163561.db2.gz OEOACJZHYGZLNX-XQQFMLRXSA-N 2 0 244.379 1.158 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccc(N)c1 ZINC000665231962 412170282 /nfs/dbraw/zinc/17/02/82/412170282.db2.gz CARMBKKACNYSJY-VHSXEESVSA-N 2 0 207.321 1.484 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc(N)c1 ZINC000665232366 412170649 /nfs/dbraw/zinc/17/06/49/412170649.db2.gz LTEGMTVIKICFIJ-FZMZJTMJSA-N 2 0 233.359 1.747 20 0 BDADRP COC[C@H](CC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)OC ZINC000665235016 412174145 /nfs/dbraw/zinc/17/41/45/412174145.db2.gz OEOACJZHYGZLNX-RWMBFGLXSA-N 2 0 244.379 1.158 20 0 BDADRP C[C@@H](N[C@@H]1CC[N@@H+](C(C)(C)C)C1)[C@H]1CCC[NH2+]1 ZINC000665235865 412174797 /nfs/dbraw/zinc/17/47/97/412174797.db2.gz BHNAJXZDMXYBRG-JHJVBQTASA-N 2 0 239.407 1.589 20 0 BDADRP Cc1cncc(CC[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)n1 ZINC000665274487 412216733 /nfs/dbraw/zinc/21/67/33/412216733.db2.gz QYULAMWOQGFMAU-SMDDNHRTSA-N 2 0 248.374 1.305 20 0 BDADRP CCC[N@@H+]1CC[C@@H](N[C@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000665274608 412216818 /nfs/dbraw/zinc/21/68/18/412216818.db2.gz UKMZCXYTGMCUMS-JHJVBQTASA-N 2 0 225.380 1.201 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000665274664 412217372 /nfs/dbraw/zinc/21/73/72/412217372.db2.gz VLXFNISJNCAOQS-XHNCKOQMSA-N 2 0 220.307 1.993 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CCC[C@@H]1[NH3+])C1CCCC1 ZINC000665275439 412218659 /nfs/dbraw/zinc/21/86/59/412218659.db2.gz KUEFUDXVMMIKDA-RWMBFGLXSA-N 2 0 226.364 1.661 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)C1CCOCC1 ZINC000665280500 412219121 /nfs/dbraw/zinc/21/91/21/412219121.db2.gz DROAHIGQHAVFDQ-DGCLKSJQSA-N 2 0 228.380 1.765 20 0 BDADRP C[C@H](CCc1ccco1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665276499 412219228 /nfs/dbraw/zinc/21/92/28/412219228.db2.gz DXGPADPIJYGZBF-LKSINWNRSA-N 2 0 234.343 1.942 20 0 BDADRP CO[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])C1CCCC1 ZINC000665275204 412219890 /nfs/dbraw/zinc/21/98/90/412219890.db2.gz FFIBBJZQQOCHCN-GMXVVIOVSA-N 2 0 228.380 1.907 20 0 BDADRP CC[C@H]([NH3+])CNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662565608 412221419 /nfs/dbraw/zinc/22/14/19/412221419.db2.gz DRDWNWMHKJRWAO-AAEUAGOBSA-N 2 0 247.342 1.075 20 0 BDADRP CC[C@@H]([NH2+]C)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000662569484 412223544 /nfs/dbraw/zinc/22/35/44/412223544.db2.gz QSAFRKGNNNWBQS-GFCCVEGCSA-N 2 0 233.315 1.226 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000665280691 412224978 /nfs/dbraw/zinc/22/49/78/412224978.db2.gz JBXLTCHAIDZEEX-YUTCNCBUSA-N 2 0 239.407 1.432 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000665283662 412229252 /nfs/dbraw/zinc/22/92/52/412229252.db2.gz RXOHXYOVJJVJNY-UPJWGTAASA-N 2 0 227.396 1.609 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@H]1CCC[C@H]1C[NH3+] ZINC000665284045 412230058 /nfs/dbraw/zinc/23/00/58/412230058.db2.gz ZKXSHVZAYRERGI-TUAOUCFPSA-N 2 0 213.369 1.077 20 0 BDADRP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@@H]2CCC23CCC3)n1 ZINC000665293163 412237345 /nfs/dbraw/zinc/23/73/45/412237345.db2.gz UAVGIAFDSNVSGW-SNVBAGLBSA-N 2 0 248.330 1.063 20 0 BDADRP CCn1nccc1C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000665299210 412247949 /nfs/dbraw/zinc/24/79/49/412247949.db2.gz IMUVAFHFHNBDIK-DGCLKSJQSA-N 2 0 236.363 1.381 20 0 BDADRP C[NH2+]C[C@H](C)NC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000662954275 412353591 /nfs/dbraw/zinc/35/35/91/412353591.db2.gz UHJNHNDLHHMZOR-GVXVVHGQSA-N 2 0 249.358 1.047 20 0 BDADRP C[NH+](C)C1CCC([NH2+]C2CCC(O)CC2)CC1 ZINC000336513737 172405021 /nfs/dbraw/zinc/40/50/21/172405021.db2.gz HWYRHOZZTUMZJC-UHFFFAOYSA-N 2 0 240.391 1.752 20 0 BDADRP C[NH+](C)C1CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000353453951 172405451 /nfs/dbraw/zinc/40/54/51/172405451.db2.gz HWCSEUKYTWCAGC-HSBZDZAISA-N 2 0 240.391 1.875 20 0 BDADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCSC2)CC1 ZINC000122135941 172982986 /nfs/dbraw/zinc/98/29/86/172982986.db2.gz IVEQPRYYLPKKIL-GFCCVEGCSA-N 2 0 228.405 1.813 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CCN1CCO[C@H]2CCC[C@@H]21 ZINC000336683389 173026895 /nfs/dbraw/zinc/02/68/95/173026895.db2.gz DSANTGNXZGMPHP-RDBSUJKOSA-N 2 0 238.375 1.724 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC2(CCO2)CC1 ZINC000367245646 173027062 /nfs/dbraw/zinc/02/70/62/173027062.db2.gz ZLUMFMKRPTWELW-CYBMUJFWSA-N 2 0 238.375 1.726 20 0 BDADRP C[N@@H+]1CCC[C@]2(CC[NH+](CC3CC3)C2)C1 ZINC000336323140 173061821 /nfs/dbraw/zinc/06/18/21/173061821.db2.gz PBRVFBYULUMNSO-ZDUSSCGKSA-N 2 0 208.349 1.814 20 0 BDADRP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccn2)C1 ZINC000334153028 173136410 /nfs/dbraw/zinc/13/64/10/173136410.db2.gz NHJUILMIEKSZHM-DZGCQCFKSA-N 2 0 245.370 1.998 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+](CC[C@@H]3CCCO3)C2)C1 ZINC000336510791 173138903 /nfs/dbraw/zinc/13/89/03/173138903.db2.gz MMXNXYPOJLYYHC-UONOGXRCSA-N 2 0 238.375 1.583 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CCc2cn[nH]c2)[C@H]2CCC[C@H]21 ZINC000353609184 173152019 /nfs/dbraw/zinc/15/20/19/173152019.db2.gz BGZSDXQZMFMCRJ-HZSPNIEDSA-N 2 0 248.374 1.415 20 0 BDADRP Cn1cccc1C[NH2+][C@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000368606787 173152237 /nfs/dbraw/zinc/15/22/37/173152237.db2.gz FVVPJHFFGTVOPR-ILXRZTDVSA-N 2 0 247.386 1.988 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CCN2CCC2)[C@@H]2CCC[C@H]21 ZINC000353640281 173152596 /nfs/dbraw/zinc/15/25/96/173152596.db2.gz BYDQQCAFTLHADS-MELADBBJSA-N 2 0 237.391 1.155 20 0 BDADRP C[NH2+]CCCN1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000337051328 173347108 /nfs/dbraw/zinc/34/71/08/173347108.db2.gz JQPLSGYOVGBULW-UONOGXRCSA-N 2 0 233.359 1.023 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000336659449 173347192 /nfs/dbraw/zinc/34/71/92/173347192.db2.gz BXLKWVINXOTVKC-RYUDHWBXSA-N 2 0 212.337 1.097 20 0 BDADRP C[NH2+]CCC[NH2+]Cc1cccc(OC(F)F)c1 ZINC000083372582 173349763 /nfs/dbraw/zinc/34/97/63/173349763.db2.gz COXVPACLWMHUDC-UHFFFAOYSA-N 2 0 244.285 1.987 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](CCc2cccnc2)C1 ZINC000063223643 173367851 /nfs/dbraw/zinc/36/78/51/173367851.db2.gz CHYOWCRMVUBPAZ-AWEZNQCLSA-N 2 0 233.359 1.556 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](CCOc2ccccc2C)C1 ZINC000071147370 173370730 /nfs/dbraw/zinc/37/07/30/173370730.db2.gz HQDKMBJGBDELTD-AWEZNQCLSA-N 2 0 248.370 1.915 20 0 BDADRP C[NH2+]C[C@H](C)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000092133239 173375540 /nfs/dbraw/zinc/37/55/40/173375540.db2.gz FSIMQWRVXMPKFU-NSHDSACASA-N 2 0 249.358 1.542 20 0 BDADRP C[NH2+]C[C@H]1CCCN(CCC(F)(F)F)C1 ZINC000070914070 173378653 /nfs/dbraw/zinc/37/86/53/173378653.db2.gz HMUJIPYSVHHPMP-SECBINFHSA-N 2 0 224.270 1.870 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)[C@H](C)[NH2+]C2CC2)cc1 ZINC000295238018 173388795 /nfs/dbraw/zinc/38/87/95/173388795.db2.gz OTAUSQMFSWVEHV-JTQLQIEISA-N 2 0 247.342 1.485 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000295147664 173388941 /nfs/dbraw/zinc/38/89/41/173388941.db2.gz CHPOTQTXMMDPFO-LBPRGKRZSA-N 2 0 247.342 1.344 20 0 BDADRP COCC[C@@H]1CCC[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000564822287 322930870 /nfs/dbraw/zinc/93/08/70/322930870.db2.gz KITZHAOGVKDEKY-UONOGXRCSA-N 2 0 240.391 1.781 20 0 BDADRP COC1(C[NH2+]CCC[NH+](C)C)CCCCC1 ZINC000309675144 174000938 /nfs/dbraw/zinc/00/09/38/174000938.db2.gz XMVCBQFQMAORAV-UHFFFAOYSA-N 2 0 228.380 1.877 20 0 BDADRP COC1(C[NH2+]CCOCC[NH+](C)C)CCCC1 ZINC000319326150 174002836 /nfs/dbraw/zinc/00/28/36/174002836.db2.gz OLFBCRJPHJWPLL-UHFFFAOYSA-N 2 0 244.379 1.113 20 0 BDADRP COCC(C)(C)C[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000336772978 174075137 /nfs/dbraw/zinc/07/51/37/174075137.db2.gz YHGZJBCWAQJRPN-GHMZBOCLSA-N 2 0 214.353 1.199 20 0 BDADRP COCCC(C)(C)C[NH2+]C1CCC([NH3+])CC1 ZINC000234615618 174143802 /nfs/dbraw/zinc/14/38/02/174143802.db2.gz HGAVUWXYKLBJAG-UHFFFAOYSA-N 2 0 228.380 1.909 20 0 BDADRP COCCC1(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000234888180 174155503 /nfs/dbraw/zinc/15/55/03/174155503.db2.gz FKKMHQICUYODFP-CHWSQXEVSA-N 2 0 240.391 1.910 20 0 BDADRP COCCCCC[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000300844973 174185007 /nfs/dbraw/zinc/18/50/07/174185007.db2.gz MVDDPBKEIVFNLG-LBPRGKRZSA-N 2 0 228.380 1.781 20 0 BDADRP COCCCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000336672930 174193719 /nfs/dbraw/zinc/19/37/19/174193719.db2.gz GRIZIJMPAYCSHL-SDDRHHMPSA-N 2 0 212.337 1.082 20 0 BDADRP COCCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000082645399 174229090 /nfs/dbraw/zinc/22/90/90/174229090.db2.gz PDWIDPNMDMEYEO-GHMZBOCLSA-N 2 0 200.326 1.082 20 0 BDADRP COCCC[N@@H+]1CC[C@H]2CCN(C)C[C@H]21 ZINC000361109567 174233552 /nfs/dbraw/zinc/23/35/52/174233552.db2.gz TZBJWMQAPYHAAA-VXGBXAGGSA-N 2 0 212.337 1.049 20 0 BDADRP COCC[N@H+](C)CCC[NH2+]C[C@H]1CC=CCC1 ZINC000119542693 174275653 /nfs/dbraw/zinc/27/56/53/174275653.db2.gz ZYTQZYGWDXEREQ-AWEZNQCLSA-N 2 0 240.391 1.901 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000336778278 174275861 /nfs/dbraw/zinc/27/58/61/174275861.db2.gz KXPJTFWTUYGRGX-RWMBFGLXSA-N 2 0 228.380 1.589 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@H]1CCOC1(C)C ZINC000340176228 174276155 /nfs/dbraw/zinc/27/61/55/174276155.db2.gz KVNWNVCEZYWBHM-LBPRGKRZSA-N 2 0 244.379 1.112 20 0 BDADRP COCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000375898308 174339347 /nfs/dbraw/zinc/33/93/47/174339347.db2.gz QZURJRCTXDBGDX-QJPTWQEYSA-N 2 0 212.337 1.095 20 0 BDADRP COCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000375898310 174339479 /nfs/dbraw/zinc/33/94/79/174339479.db2.gz QZURJRCTXDBGDX-UTUOFQBUSA-N 2 0 212.337 1.095 20 0 BDADRP COCCOC[C@H](C)[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000358179076 174363582 /nfs/dbraw/zinc/36/35/82/174363582.db2.gz QXDDADCXFCIXKM-XQQFMLRXSA-N 2 0 244.379 1.110 20 0 BDADRP COCc1cccc(C[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000132211272 174630555 /nfs/dbraw/zinc/63/05/55/174630555.db2.gz CEZJIJAJEMURND-HNNXBMFYSA-N 2 0 248.370 1.922 20 0 BDADRP CO[C@@H](C)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000336648234 174698495 /nfs/dbraw/zinc/69/84/95/174698495.db2.gz OHFULBQPOLKWAY-NSHDSACASA-N 2 0 214.353 1.295 20 0 BDADRP COc1ccc(CC[NH2+]CCC[NH3+])cc1 ZINC000041620026 175091499 /nfs/dbraw/zinc/09/14/99/175091499.db2.gz ZKDRWJWKMSCPFH-UHFFFAOYSA-N 2 0 208.305 1.176 20 0 BDADRP COc1ccc([C@@H](C)[NH2+]CCC[NH3+])c(OC)c1 ZINC000037713374 175177304 /nfs/dbraw/zinc/17/73/04/175177304.db2.gz ADZXRDSNSLYJQS-SNVBAGLBSA-N 2 0 238.331 1.703 20 0 BDADRP COc1cccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000011888380 175258962 /nfs/dbraw/zinc/25/89/62/175258962.db2.gz ZCGDLFYNBVNLPX-ZDUSSCGKSA-N 2 0 234.343 1.866 20 0 BDADRP COc1cccc(C[NH2+]CC2CC[NH+](C)CC2)n1 ZINC000070093486 175263106 /nfs/dbraw/zinc/26/31/06/175263106.db2.gz AIIVIOGTVLDOKX-UHFFFAOYSA-N 2 0 249.358 1.522 20 0 BDADRP COc1ccccc1CC[NH2+][C@@H](C)CCC[NH3+] ZINC000310573386 175323186 /nfs/dbraw/zinc/32/31/86/175323186.db2.gz ZXAHQIYGCZMGDS-LBPRGKRZSA-N 2 0 236.359 1.955 20 0 BDADRP COc1ccccc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000011891310 175327932 /nfs/dbraw/zinc/32/79/32/175327932.db2.gz WGNHHGPTAAQICU-LLVKDONJSA-N 2 0 220.316 1.476 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCCCO1 ZINC000336687922 175666100 /nfs/dbraw/zinc/66/61/00/175666100.db2.gz NBGZBEPWCLTOPP-WDEREUQCSA-N 2 0 200.326 1.273 20 0 BDADRP C[C@@H](CC[NH3+])NC(=O)CC1(C[NH3+])CCCCC1 ZINC000361625271 175672541 /nfs/dbraw/zinc/67/25/41/175672541.db2.gz DPEQYARQCAKMFJ-NSHDSACASA-N 2 0 241.379 1.139 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C(=O)NC2CC[NH2+]CC2)cc1 ZINC000039073016 175816826 /nfs/dbraw/zinc/81/68/26/175816826.db2.gz DLNVAQQEQFUYGM-SNVBAGLBSA-N 2 0 247.342 1.188 20 0 BDADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000310484191 175866593 /nfs/dbraw/zinc/86/65/93/175866593.db2.gz FNNDGLRCYPXTPK-OLZOCXBDSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)[C@H]1CO ZINC000305705907 176097781 /nfs/dbraw/zinc/09/77/81/176097781.db2.gz YEKXBHLNCLOALY-RDBSUJKOSA-N 2 0 240.391 1.564 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH+]2CCC(C[NH+](C)C)CC2)O1 ZINC000336694376 176203134 /nfs/dbraw/zinc/20/31/34/176203134.db2.gz KZTSETRJWATEMT-OCCSQVGLSA-N 2 0 240.391 1.828 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)O1 ZINC000370722861 176223454 /nfs/dbraw/zinc/22/34/54/176223454.db2.gz UNWDUZXSTGOVJL-HZSPNIEDSA-N 2 0 240.391 1.970 20 0 BDADRP C[C@@H]1CN(C)CC[C@H]1[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000353663274 176270365 /nfs/dbraw/zinc/27/03/65/176270365.db2.gz UEBMNZBGPLWAAI-IJLUTSLNSA-N 2 0 248.374 1.197 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1ccc(O)cc1 ZINC000358077749 176271359 /nfs/dbraw/zinc/27/13/59/176271359.db2.gz CAPDZILEYFGOKQ-IUODEOHRSA-N 2 0 248.370 1.865 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000358412124 176275110 /nfs/dbraw/zinc/27/51/10/176275110.db2.gz XZKSRGJISUASFM-SYQHCUMBSA-N 2 0 237.391 1.153 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@]1(C)CCOC1 ZINC000361401055 176278707 /nfs/dbraw/zinc/27/87/07/176278707.db2.gz UYLGNUZIYYVCEN-YIYPIFLZSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)CCCO1 ZINC000062912485 176301209 /nfs/dbraw/zinc/30/12/09/176301209.db2.gz FQHQKMIMLCIRPO-VXGBXAGGSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000353976512 176339463 /nfs/dbraw/zinc/33/94/63/176339463.db2.gz XWLVUHGNZZXQEU-XJFOESAGSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCOC[C@H]2C)CC[N@@H+]1C ZINC000353976511 176339543 /nfs/dbraw/zinc/33/95/43/176339543.db2.gz XWLVUHGNZZXQEU-SYQHCUMBSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@@H]1CSCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000251627798 176351932 /nfs/dbraw/zinc/35/19/32/176351932.db2.gz FHAXUIDBHUFNHA-MNOVXSKESA-N 2 0 214.378 1.423 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCc1cccnc1 ZINC000122338778 176367842 /nfs/dbraw/zinc/36/78/42/176367842.db2.gz WQGMZIPGEJQBKQ-YPMHNXCESA-N 2 0 219.332 1.293 20 0 BDADRP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CCOC2)CCN1C ZINC000336690427 176371365 /nfs/dbraw/zinc/37/13/65/176371365.db2.gz AXDHVFYRKFFGIJ-AGIUHOORSA-N 2 0 226.364 1.437 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(CO)c2)CC[N@@H+]1C ZINC000177838735 176377977 /nfs/dbraw/zinc/37/79/77/176377977.db2.gz XBLBJAKMWWHMAG-DOMZBBRYSA-N 2 0 248.370 1.751 20 0 BDADRP C[C@H](CCNC1=[NH+]CCCN1)[NH+]1CCCCC1 ZINC000305796318 176629798 /nfs/dbraw/zinc/62/97/98/176629798.db2.gz APTSXNLLNCPONQ-GFCCVEGCSA-N 2 0 238.379 1.190 20 0 BDADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)[C@H]1CCOC1 ZINC000353521969 176829006 /nfs/dbraw/zinc/82/90/06/176829006.db2.gz SUWQAWXBACUVNZ-FEPKRQSRSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@H](c1ccccc1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000070069806 177037436 /nfs/dbraw/zinc/03/74/36/177037436.db2.gz YPCKPHUGOPICNA-CQSZACIVSA-N 2 0 247.386 1.585 20 0 BDADRP C[C@@H]([NH3+])CC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000037607209 177075050 /nfs/dbraw/zinc/07/50/50/177075050.db2.gz KRBIYCWSKXRIRN-NEPJUHHUSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@H]1CCC[C@H](C)[NH+]1CCN1CC[NH2+]CC1 ZINC000037482554 177131662 /nfs/dbraw/zinc/13/16/62/177131662.db2.gz VNNOEILARNRWPI-STQMWFEESA-N 2 0 225.380 1.155 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCOC1CCCC1 ZINC000358084152 177233798 /nfs/dbraw/zinc/23/37/98/177233798.db2.gz LTEZZFDOOOEACO-GXTWGEPZSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)CCS1 ZINC000220972637 177258149 /nfs/dbraw/zinc/25/81/49/177258149.db2.gz MZPWLMOHSKYRQO-QWRGUYRKSA-N 2 0 214.378 1.423 20 0 BDADRP C[C@H]1COCC[C@@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000310065658 177294504 /nfs/dbraw/zinc/29/45/04/177294504.db2.gz PZUPDSJDVNWBGS-STQMWFEESA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCSC[C@@H]2C)CC[NH2+]1 ZINC000235369166 177305243 /nfs/dbraw/zinc/30/52/43/177305243.db2.gz TWUNLLMMFUVFAB-GRYCIOLGSA-N 2 0 228.405 1.812 20 0 BDADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc2c(c1)CCO2 ZINC000216070198 177324415 /nfs/dbraw/zinc/32/44/15/177324415.db2.gz LBUWMSSAESGWPW-AAEUAGOBSA-N 2 0 246.354 1.791 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC(C)(C)O ZINC000083461209 177330393 /nfs/dbraw/zinc/33/03/93/177330393.db2.gz BJXZTTMCGWJRHH-OUAUKWLOSA-N 2 0 214.353 1.076 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCc2cnccn2)CC[N@@H+]1C ZINC000341883023 177332591 /nfs/dbraw/zinc/33/25/91/177332591.db2.gz TZKJPRVMKUMOMR-RYUDHWBXSA-N 2 0 234.347 1.091 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000309766147 177333814 /nfs/dbraw/zinc/33/38/14/177333814.db2.gz NTCQBSJPJQBIHT-AGIUHOORSA-N 2 0 228.380 1.610 20 0 BDADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccc(F)c1 ZINC000122361342 177361247 /nfs/dbraw/zinc/36/12/47/177361247.db2.gz FCSGAFAURXGZER-CMPLNLGQSA-N 2 0 222.307 1.995 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCO)CCN1Cc1ccccc1 ZINC000268711022 177369071 /nfs/dbraw/zinc/36/90/71/177369071.db2.gz DYWYLXLLTIVCKS-DZGCQCFKSA-N 2 0 248.370 1.621 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCC2CC(O)C2)CC[N@@H+]1C ZINC000309789855 177369558 /nfs/dbraw/zinc/36/95/58/177369558.db2.gz OYMMAGZTPAKKHO-GMKTYKIGSA-N 2 0 226.364 1.220 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1CCOCC1 ZINC000111155336 177369602 /nfs/dbraw/zinc/36/96/02/177369602.db2.gz YVAVALSXUFZZIM-DYEKYZERSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@@H](O)CC[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000082993026 177370514 /nfs/dbraw/zinc/37/05/14/177370514.db2.gz DUQNWNUTORGVJR-KXNHARMFSA-N 2 0 214.353 1.076 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCc2cn[nH]c2)CC[N@@H+]1C ZINC000289740569 177371023 /nfs/dbraw/zinc/37/10/23/177371023.db2.gz KOXMEOLSQLDEGO-CMPLNLGQSA-N 2 0 222.336 1.025 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000336781094 177371969 /nfs/dbraw/zinc/37/19/69/177371969.db2.gz TXZZPWSEVLZXQR-XQHKEYJVSA-N 2 0 225.380 1.009 20 0 BDADRP C[C@H]([NH2+]CC(C)(C)CCO)[C@H]1CCC[NH2+]1 ZINC000400356558 225063047 /nfs/dbraw/zinc/06/30/47/225063047.db2.gz BKZWQADYMZGMRB-WDEREUQCSA-N 2 0 214.353 1.125 20 0 BDADRP COCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400391889 225149586 /nfs/dbraw/zinc/14/95/86/225149586.db2.gz NMUPEBJRPDIANY-DCAQKATOSA-N 2 0 200.326 1.142 20 0 BDADRP CN1CCC[C@@H]1C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000226017370 487643744 /nfs/dbraw/zinc/64/37/44/487643744.db2.gz YLXXIKSIXFMLKI-VXGBXAGGSA-N 2 0 226.364 1.628 20 0 BDADRP C[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CCSC2)C1 ZINC000494934023 226271732 /nfs/dbraw/zinc/27/17/32/226271732.db2.gz UPDWJQDWFZOCKJ-NEPJUHHUSA-N 2 0 228.405 1.623 20 0 BDADRP C[C@H](C[NH2+][C@H]1C[C@@H](C)[C@H]1C)N1CC[NH+](C)CC1 ZINC000495077736 226276041 /nfs/dbraw/zinc/27/60/41/226276041.db2.gz GSXGEUBSYSRRPF-SYQHCUMBSA-N 2 0 239.407 1.256 20 0 BDADRP C[C@H]([NH2+]C[C@]1(C)CCOC1)[C@H]1CCC[NH2+]1 ZINC000400323022 226340363 /nfs/dbraw/zinc/34/03/63/226340363.db2.gz ALJWLHPLVNZKSY-TUAOUCFPSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H]([NH2+]CC1(C2CC2)CC1)[C@H]1CCC[NH2+]1 ZINC000400367198 226341709 /nfs/dbraw/zinc/34/17/09/226341709.db2.gz FQAOPQUISXPSBD-CMPLNLGQSA-N 2 0 208.349 1.907 20 0 BDADRP C[C@H]([NH2+][C@@H](CO)C1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000400421719 226343385 /nfs/dbraw/zinc/34/33/85/226343385.db2.gz XBOHWZAOIBTCFG-DRZSPHRISA-N 2 0 226.364 1.268 20 0 BDADRP COCC(C)(C)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400495824 226344950 /nfs/dbraw/zinc/34/49/50/226344950.db2.gz HJYAVBGBGCTEGC-WDEREUQCSA-N 2 0 214.353 1.389 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](CC[C@@H]2CCOC2)C[C@@H]1C[NH3+] ZINC000400554435 226346253 /nfs/dbraw/zinc/34/62/53/226346253.db2.gz PHWRKRNXRNUGQX-RQJABVFESA-N 2 0 240.391 1.718 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@@]1(C)C[NH3+] ZINC000400603985 226347747 /nfs/dbraw/zinc/34/77/47/226347747.db2.gz GFFZFSKTXCZKSY-FRRDWIJNSA-N 2 0 226.364 1.330 20 0 BDADRP CSCCCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400691868 226349444 /nfs/dbraw/zinc/34/94/44/226349444.db2.gz ZGLAJOQXPXEBMJ-MNOVXSKESA-N 2 0 216.394 1.860 20 0 BDADRP COCCOCCCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400719012 226350320 /nfs/dbraw/zinc/35/03/20/226350320.db2.gz NXTLYLUERSLOBU-QWHCGFSZSA-N 2 0 244.379 1.160 20 0 BDADRP CCOc1ccccc1CC[NH2+]CCC[NH3+] ZINC000415080850 487666480 /nfs/dbraw/zinc/66/64/80/487666480.db2.gz MFASIZRBYYWVGP-UHFFFAOYSA-N 2 0 222.332 1.566 20 0 BDADRP COC[C@@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335832503 487667675 /nfs/dbraw/zinc/66/76/75/487667675.db2.gz CRMNAGBCQDUXIO-VXGBXAGGSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOCC1CC1 ZINC000227259426 487685424 /nfs/dbraw/zinc/68/54/24/487685424.db2.gz XVZJPGUJZPNMRF-JQWIXIFHSA-N 2 0 212.337 1.225 20 0 BDADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCOCC1CC1 ZINC000227259439 487685448 /nfs/dbraw/zinc/68/54/48/487685448.db2.gz XVZJPGUJZPNMRF-CMPLNLGQSA-N 2 0 212.337 1.225 20 0 BDADRP CCC[NH+]1CCC(NC[C@H]2CCCC[NH2+]2)CC1 ZINC000233019240 487685861 /nfs/dbraw/zinc/68/58/61/487685861.db2.gz VTXJNYQDOJVICJ-CQSZACIVSA-N 2 0 239.407 1.593 20 0 BDADRP C[NH2+]CC1CC[NH+](Cc2cncc(C)c2)CC1 ZINC000228619163 487695333 /nfs/dbraw/zinc/69/53/33/487695333.db2.gz KZEDXKBWFXSTRX-UHFFFAOYSA-N 2 0 233.359 1.821 20 0 BDADRP C([C@@H]1CC[NH2+]C1)[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000083701109 487700274 /nfs/dbraw/zinc/70/02/74/487700274.db2.gz QALHXJGVPDMIGJ-JHJVBQTASA-N 2 0 208.349 1.860 20 0 BDADRP C/C=C/C[C@H](CO)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000681142282 487736980 /nfs/dbraw/zinc/73/69/80/487736980.db2.gz SIRVDYUOMQJXJI-BSWNYTGASA-N 2 0 240.391 1.633 20 0 BDADRP CC[C@@H]1C[N@H+](CCOCC(C)C)CC[C@@H]1[NH3+] ZINC000233911106 487751486 /nfs/dbraw/zinc/75/14/86/487751486.db2.gz ROPXGORIUXYBQE-OLZOCXBDSA-N 2 0 228.380 1.718 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCCO1 ZINC000251276244 487752720 /nfs/dbraw/zinc/75/27/20/487752720.db2.gz MIHCVYPIPSIDOL-YNEHKIRRSA-N 2 0 226.364 1.663 20 0 BDADRP COCC[C@@H](C)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000666193979 487754435 /nfs/dbraw/zinc/75/44/35/487754435.db2.gz UEENTSSQYAYZBS-OLZOCXBDSA-N 2 0 242.407 1.979 20 0 BDADRP C[C@@H](CC(C)(C)O)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000385207428 487771757 /nfs/dbraw/zinc/77/17/57/487771757.db2.gz PWXZJNHXPJJSEN-RYUDHWBXSA-N 2 0 242.407 1.856 20 0 BDADRP C[C@H](CC(C)(C)O)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000385207426 487771854 /nfs/dbraw/zinc/77/18/54/487771854.db2.gz PWXZJNHXPJJSEN-NEPJUHHUSA-N 2 0 242.407 1.856 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(C)C2)[C@@H](C)C1 ZINC000675768003 487774522 /nfs/dbraw/zinc/77/45/22/487774522.db2.gz VHHBXONLGQJIOW-MJBXVCDLSA-N 2 0 239.407 1.401 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN(C)C2)[C@@H](C)C1 ZINC000675767993 487775751 /nfs/dbraw/zinc/77/57/51/487775751.db2.gz VHHBXONLGQJIOW-IHRRRGAJSA-N 2 0 239.407 1.401 20 0 BDADRP CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000666177180 487777510 /nfs/dbraw/zinc/77/75/10/487777510.db2.gz FNWHPFKZMUOMJY-BNOWGMLFSA-N 2 0 240.391 1.874 20 0 BDADRP CC[C@@H](C(=O)N(C)CCCC[NH+](C)C)[NH+](C)C ZINC000675801303 487780368 /nfs/dbraw/zinc/78/03/68/487780368.db2.gz CENKEZOBLCLMRS-LBPRGKRZSA-N 2 0 243.395 1.127 20 0 BDADRP C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000675901424 487784998 /nfs/dbraw/zinc/78/49/98/487784998.db2.gz GCYYUARVGOZCBH-ZOBORPQBSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CS[C@H](C)C1 ZINC000251695152 487790788 /nfs/dbraw/zinc/79/07/88/487790788.db2.gz AZKZZZHBBDEYNQ-GMTAPVOTSA-N 2 0 216.394 1.810 20 0 BDADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCCOC2)C1 ZINC000459742401 487792852 /nfs/dbraw/zinc/79/28/52/487792852.db2.gz WDJVTHZIOPJMHZ-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP CC[NH+](CC)CCC[NH+]1CCC(C)(CO)CC1 ZINC000191838700 487800616 /nfs/dbraw/zinc/80/06/16/487800616.db2.gz GWQWMQSZAUOQOW-UHFFFAOYSA-N 2 0 242.407 1.813 20 0 BDADRP C[C@@H]([NH2+]CCC(C)(C)CO)C1CC[NH+](C)CC1 ZINC000385883511 487812362 /nfs/dbraw/zinc/81/23/62/487812362.db2.gz LOGRWJFQJFMQDU-GFCCVEGCSA-N 2 0 242.407 1.715 20 0 BDADRP CCn1nccc1C1CC[NH+](CCC[NH3+])CC1 ZINC000414734534 487822308 /nfs/dbraw/zinc/82/23/08/487822308.db2.gz FXRLEVYRDWUFHO-UHFFFAOYSA-N 2 0 236.363 1.431 20 0 BDADRP C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCC[NH3+] ZINC000414765700 487823969 /nfs/dbraw/zinc/82/39/69/487823969.db2.gz QEFKUFXDJWTPGN-JGVFFNPUSA-N 2 0 210.243 1.608 20 0 BDADRP CC(C)n1nccc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000414910553 487828423 /nfs/dbraw/zinc/82/84/23/487828423.db2.gz DDAUKRAPCFYQBP-NEPJUHHUSA-N 2 0 236.363 1.824 20 0 BDADRP Nc1ccc2c(c1)CCC[C@H]2[NH2+]CCC[NH3+] ZINC000414921585 487829374 /nfs/dbraw/zinc/82/93/74/487829374.db2.gz DWEGNFIZMAROFR-CYBMUJFWSA-N 2 0 219.332 1.585 20 0 BDADRP CCCn1cc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000414929588 487830296 /nfs/dbraw/zinc/83/02/96/487830296.db2.gz RUEGJSWWKXRKQL-STQMWFEESA-N 2 0 236.363 1.653 20 0 BDADRP [NH3+]CCC[NH2+]C[C@H]1CCc2ccccc21 ZINC000415080123 487836059 /nfs/dbraw/zinc/83/60/59/487836059.db2.gz LBZKKWHEFLMBFR-GFCCVEGCSA-N 2 0 204.317 1.655 20 0 BDADRP C[C@@H](COc1cccc(F)c1)[NH2+]CCC[NH3+] ZINC000415082809 487836355 /nfs/dbraw/zinc/83/63/55/487836355.db2.gz OWMHHFJIRNMJKT-JTQLQIEISA-N 2 0 226.295 1.531 20 0 BDADRP [NH3+]CCC[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000415087986 487836549 /nfs/dbraw/zinc/83/65/49/487836549.db2.gz ULHMJCUBOITFJO-UHFFFAOYSA-N 2 0 244.342 1.370 20 0 BDADRP [NH3+]CCC[NH2+]Cc1ccccc1Cn1cccn1 ZINC000415101480 487837121 /nfs/dbraw/zinc/83/71/21/487837121.db2.gz IODHNNYAVHASNQ-UHFFFAOYSA-N 2 0 244.342 1.370 20 0 BDADRP Cc1ccccc1C1(C[NH2+]CCC[NH3+])CC1 ZINC000415106830 487837827 /nfs/dbraw/zinc/83/78/27/487837827.db2.gz NJNFZJOMVAXAKX-UHFFFAOYSA-N 2 0 218.344 1.965 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]Cc1cnc2ccccn12 ZINC000666825520 487881624 /nfs/dbraw/zinc/88/16/24/487881624.db2.gz WLBWZUKYWFCFQC-JTQLQIEISA-N 2 0 218.304 1.019 20 0 BDADRP CO[C@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000234860733 487886162 /nfs/dbraw/zinc/88/61/62/487886162.db2.gz KAZHPWSFQQNYKK-ZDUSSCGKSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)C1CCC1 ZINC000666955460 487892779 /nfs/dbraw/zinc/89/27/79/487892779.db2.gz LXCCLHFODZLDBN-ZYHUDNBSSA-N 2 0 208.349 1.907 20 0 BDADRP Cc1cc(C)n(CC[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)n1 ZINC000386827696 487896747 /nfs/dbraw/zinc/89/67/47/487896747.db2.gz VGXYXZXAODSCKA-AAEUAGOBSA-N 2 0 236.363 1.312 20 0 BDADRP [NH3+]C1CC[NH+](C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000229247464 487898198 /nfs/dbraw/zinc/89/81/98/487898198.db2.gz FOGGZQPZRZHPMI-CYBMUJFWSA-N 2 0 238.375 1.901 20 0 BDADRP CN1CC(C[N@H+](C)Cc2ccccc2)C1 ZINC000668538268 487903094 /nfs/dbraw/zinc/90/30/94/487903094.db2.gz YKHTYHVMZSFJIH-UHFFFAOYSA-N 2 0 204.317 1.680 20 0 BDADRP Cc1nccn1CCC[NH2+][C@@H](C)CCCCO ZINC000679332985 487913745 /nfs/dbraw/zinc/91/37/45/487913745.db2.gz AICPACNCJUJFOF-LBPRGKRZSA-N 2 0 239.363 1.722 20 0 BDADRP CC(C)n1nccc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666953769 487915888 /nfs/dbraw/zinc/91/58/88/487915888.db2.gz HKLDICJTVLZLOB-CYBMUJFWSA-N 2 0 248.374 1.696 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666955346 487917088 /nfs/dbraw/zinc/91/70/88/487917088.db2.gz ATPBXLZAWSASMQ-RYUDHWBXSA-N 3 0 225.380 1.092 20 0 BDADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cnc3ccccn23)C1 ZINC000666962182 487919710 /nfs/dbraw/zinc/91/97/10/487919710.db2.gz HCGBLOIAJRFCAG-VXGBXAGGSA-N 2 0 244.342 1.551 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cc3n(n2)CCC3)CC1 ZINC000652335915 487924487 /nfs/dbraw/zinc/92/44/87/487924487.db2.gz QWNBQQBLZXFVBO-LLVKDONJSA-N 2 0 248.374 1.389 20 0 BDADRP C[C@@H](Cn1cccn1)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995023 487925136 /nfs/dbraw/zinc/92/51/36/487925136.db2.gz AJPUQLYFYVDWIY-QWHCGFSZSA-N 2 0 248.374 1.536 20 0 BDADRP Cc1cn2cc(NC(=O)NC[C@@H](C)[NH3+])ccc2n1 ZINC000667040441 487933523 /nfs/dbraw/zinc/93/35/23/487933523.db2.gz MNJCVRPBLRVCQZ-MRVPVSSYSA-N 2 0 247.302 1.111 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CCC[C@@H]2COC[C@@H]21 ZINC000667048414 487933703 /nfs/dbraw/zinc/93/37/03/487933703.db2.gz OZONFXSVBGCVGD-UPJWGTAASA-N 2 0 226.364 1.471 20 0 BDADRP CC(C)[NH2+]C1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000569609220 322972705 /nfs/dbraw/zinc/97/27/05/322972705.db2.gz VJTRVCWQKSTOMA-CYBMUJFWSA-N 3 0 239.407 1.448 20 0 BDADRP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000449670778 323004790 /nfs/dbraw/zinc/00/47/90/323004790.db2.gz YKMONVYZLTWHEP-TVQRCGJNSA-N 2 0 247.342 1.602 20 0 BDADRP C[C@@H](C[NH2+][C@@H]1CCC12CCOCC2)C[NH+](C)C ZINC000562342276 323017160 /nfs/dbraw/zinc/01/71/60/323017160.db2.gz PJONDIUBSGNWCP-QWHCGFSZSA-N 2 0 240.391 1.733 20 0 BDADRP CC(C)OC1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000562646426 323026395 /nfs/dbraw/zinc/02/63/95/323026395.db2.gz HJQSKQAADAZEIP-UHFFFAOYSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@H]1C[C@H]1C ZINC000397506390 323029980 /nfs/dbraw/zinc/02/99/80/323029980.db2.gz DKAAGVJLFPZILW-AGIUHOORSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)CC[NH2+]C2CC2)cc1 ZINC000565217461 323034007 /nfs/dbraw/zinc/03/40/07/323034007.db2.gz RUSFSUYGYPOBOO-JTQLQIEISA-N 2 0 247.342 1.787 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC2(CF)CCOCC2)C1 ZINC000569708980 323038107 /nfs/dbraw/zinc/03/81/07/323038107.db2.gz WZJKCDCLEVFDKS-VXGBXAGGSA-N 2 0 244.354 1.612 20 0 BDADRP Cn1cncc1CCC[N@@H+]1CCC[C@]1(C)CO ZINC000569822231 323041893 /nfs/dbraw/zinc/04/18/93/323041893.db2.gz KKDVEADGYJRVIU-CYBMUJFWSA-N 2 0 237.347 1.200 20 0 BDADRP C[NH2+]C[C@@H](C)c1nc([C@H]([NH3+])CC(C)C)no1 ZINC000569971236 323046171 /nfs/dbraw/zinc/04/61/71/323046171.db2.gz MXRIHOGKBMEVIG-RKDXNWHRSA-N 2 0 226.324 1.438 20 0 BDADRP COC[C@H](C)C[NH2+]CCN(C)C1CCCC1 ZINC000153368871 323050995 /nfs/dbraw/zinc/05/09/95/323050995.db2.gz SJXPAVRMRLKWCF-GFCCVEGCSA-N 2 0 228.380 1.733 20 0 BDADRP CCC[C@H](C)[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000570174362 323052080 /nfs/dbraw/zinc/05/20/80/323052080.db2.gz XWRFXWVYLSQZAP-ZDUSSCGKSA-N 2 0 242.407 2.000 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]CC2(O)CCC2)C1 ZINC000567683546 323059763 /nfs/dbraw/zinc/05/97/63/323059763.db2.gz QRVXOGAZPKTSTG-VXGBXAGGSA-N 2 0 226.364 1.364 20 0 BDADRP Cc1noc(CCC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000570528781 323062427 /nfs/dbraw/zinc/06/24/27/323062427.db2.gz DLYMWFVVKFKEBR-MNOVXSKESA-N 2 0 238.335 1.170 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2)CCO1 ZINC000570570953 323063616 /nfs/dbraw/zinc/06/36/16/323063616.db2.gz VIUFWIWALWIVMA-RISCZKNCSA-N 2 0 234.343 1.802 20 0 BDADRP C[C@@H](C(=O)Nc1ccc([C@H](C)[NH3+])cc1)C1C[NH2+]C1 ZINC000570630815 323065331 /nfs/dbraw/zinc/06/53/31/323065331.db2.gz VWFBNIRXDLOJKJ-ZJUUUORDSA-N 2 0 247.342 1.500 20 0 BDADRP C[C@H]([NH3+])c1ccc(CNC(=O)[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000570928971 323074500 /nfs/dbraw/zinc/07/45/00/323074500.db2.gz WZANZPXKLNVIJS-TVYUQYBPSA-N 2 0 247.342 1.060 20 0 BDADRP C[C@H](CCCC[NH3+])NC(=O)CC1CC[NH2+]CC1 ZINC000567849323 323092586 /nfs/dbraw/zinc/09/25/86/323092586.db2.gz TZJNGDSIXQPKSA-LLVKDONJSA-N 2 0 241.379 1.010 20 0 BDADRP [NH3+]CCCCc1nc(C2([NH3+])CCCCC2)no1 ZINC000563118350 323093746 /nfs/dbraw/zinc/09/37/46/323093746.db2.gz DUDBDMFEMYDWII-UHFFFAOYSA-N 2 0 238.335 1.469 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H](F)C1 ZINC000563154567 323095812 /nfs/dbraw/zinc/09/58/12/323095812.db2.gz PVCPGDMPJTYWSQ-YFKTTZPYSA-N 2 0 214.328 1.984 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2)CC[N@@H+]1C ZINC000563154163 323095840 /nfs/dbraw/zinc/09/58/40/323095840.db2.gz PVMGZFORPFZWFD-WFASDCNBSA-N 3 0 247.386 1.718 20 0 BDADRP Cc1nn(C)cc1[C@@H](C)[NH2+]CC1CC[NH2+]CC1 ZINC000571047306 323105376 /nfs/dbraw/zinc/10/53/76/323105376.db2.gz RAOJBZRLKJKIPO-SNVBAGLBSA-N 2 0 236.363 1.379 20 0 BDADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@@H](CC(C)C)C1 ZINC000563268856 323107265 /nfs/dbraw/zinc/10/72/65/323107265.db2.gz NCTSPJLLKYKPTC-QWHCGFSZSA-N 2 0 228.380 1.325 20 0 BDADRP FC1(C[NH2+]CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000563421331 323124126 /nfs/dbraw/zinc/12/41/26/323124126.db2.gz ZZZWXFMLHKTKRW-JTQLQIEISA-N 2 0 200.301 1.468 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2C[NH3+])C[C@H](C)O1 ZINC000563435563 323125488 /nfs/dbraw/zinc/12/54/88/323125488.db2.gz NAKROTHDUJEHAJ-FPYNETTCSA-N 2 0 226.364 1.659 20 0 BDADRP CCn1ccnc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000563452390 323126508 /nfs/dbraw/zinc/12/65/08/323126508.db2.gz FYTYJUINUNZXBY-LBPRGKRZSA-N 2 0 236.363 1.525 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([N@@H+]2CCC[C@]3(CCOC3)C2)C1 ZINC000563550490 323130007 /nfs/dbraw/zinc/13/00/07/323130007.db2.gz ZZLVZLJMRMCSGH-RDBSUJKOSA-N 2 0 238.375 1.759 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)c1ccc(C[NH3+])cc1 ZINC000571089340 323135445 /nfs/dbraw/zinc/13/54/45/323135445.db2.gz RSORCPMLGBYZCR-VHSXEESVSA-N 2 0 235.331 1.001 20 0 BDADRP CC(C)[NH2+]CCC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000571560627 323147893 /nfs/dbraw/zinc/14/78/93/323147893.db2.gz NPIHLWWMSBSUPD-NWDGAFQWSA-N 2 0 241.379 1.008 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+]Cc1nc(C)ccc1O ZINC000414842512 323151685 /nfs/dbraw/zinc/15/16/85/323151685.db2.gz PAJFMPGXGWNUNE-VIFPVBQESA-N 2 0 223.320 1.041 20 0 BDADRP C[C@@H]1CC2(C[N@@H+]1Cc1ccn(C)n1)CC[NH2+]CC2 ZINC000563803756 323178360 /nfs/dbraw/zinc/17/83/60/323178360.db2.gz ALYHEFRUOBGLIF-GFCCVEGCSA-N 2 0 248.374 1.384 20 0 BDADRP CCOC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000054243741 323203613 /nfs/dbraw/zinc/20/36/13/323203613.db2.gz UDTXPWJCQGCZNA-VXGBXAGGSA-N 2 0 214.353 1.343 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]([NH3+])C2CC2)C1(C)C ZINC000399324357 323203826 /nfs/dbraw/zinc/20/38/26/323203826.db2.gz KGCOAZJIAFEUGD-SDDRHHMPSA-N 2 0 226.364 1.517 20 0 BDADRP C1CC1[NH+]1CCC(N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000530216219 323216847 /nfs/dbraw/zinc/21/68/47/323216847.db2.gz OGHZOXRVQUNMJU-AWEZNQCLSA-N 2 0 249.402 1.487 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@]1(C)CCCO1 ZINC000122861803 324056803 /nfs/dbraw/zinc/05/68/03/324056803.db2.gz AMODOLHEMRSXOD-AGIUHOORSA-N 2 0 226.364 1.485 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)C(C)(C)C ZINC000572497340 324133842 /nfs/dbraw/zinc/13/38/42/324133842.db2.gz LPQVIYNSHPYTGX-IJLUTSLNSA-N 2 0 228.380 1.907 20 0 BDADRP CC[NH2+]Cc1cccc(NC(=O)C(C)(C)C[NH3+])c1 ZINC000123337860 324245655 /nfs/dbraw/zinc/24/56/55/324245655.db2.gz HRHMKBVKWRKPPL-UHFFFAOYSA-N 2 0 249.358 1.720 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CCCOC1 ZINC000530210986 324526974 /nfs/dbraw/zinc/52/69/74/324526974.db2.gz KVQXBOZTANSRAC-IJLUTSLNSA-N 2 0 212.337 1.273 20 0 BDADRP CC[C@H](N[C@H]1CC[NH2+]C12CCC2)[C@@H]1CCC[NH2+]1 ZINC000530215707 324531305 /nfs/dbraw/zinc/53/13/05/324531305.db2.gz IDFYMGYJFKRFSO-AVGNSLFASA-N 2 0 237.391 1.391 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000530217046 324533661 /nfs/dbraw/zinc/53/36/61/324533661.db2.gz RVTXAMBJAZUAPJ-AGIUHOORSA-N 2 0 237.391 1.521 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1Cc2ccccc2NC1=O ZINC000530224859 324545530 /nfs/dbraw/zinc/54/55/30/324545530.db2.gz MWNTVBCSLSBIEW-GWCFXTLKSA-N 2 0 247.342 1.267 20 0 BDADRP C[C@H](CN[C@H]1CC[N@H+](C)[C@H](C)C1)[NH+](C)C1CC1 ZINC000130739320 325083212 /nfs/dbraw/zinc/08/32/12/325083212.db2.gz CFTNRZBZVWYNCJ-UPJWGTAASA-N 2 0 239.407 1.541 20 0 BDADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)[C@H]1CCOC1 ZINC000158662574 487970550 /nfs/dbraw/zinc/97/05/50/487970550.db2.gz OCFMEYLTNVFEPM-AAEUAGOBSA-N 2 0 226.364 1.391 20 0 BDADRP CC[NH2+]CCC[NH2+][C@H]1CCCSC1 ZINC000565710252 325946471 /nfs/dbraw/zinc/94/64/71/325946471.db2.gz BSEUAXITSNBXLS-JTQLQIEISA-N 2 0 202.367 1.471 20 0 BDADRP COC[C@@H](C)C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000153368425 325951423 /nfs/dbraw/zinc/95/14/23/325951423.db2.gz QQNJMUDWKSOCLK-OLZOCXBDSA-N 2 0 228.380 1.590 20 0 BDADRP CC(C)[NH2+]CCCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000566088417 325992123 /nfs/dbraw/zinc/99/21/23/325992123.db2.gz NALTZXQVVBVBNA-NWDGAFQWSA-N 2 0 213.369 1.092 20 0 BDADRP Cc1cccn2c(C[NH2+][C@H](C)C[C@H](C)[NH3+])cnc12 ZINC000566230078 326019064 /nfs/dbraw/zinc/01/90/64/326019064.db2.gz FUSWIGNPMODQTM-NWDGAFQWSA-N 2 0 246.358 1.858 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000566229884 326019318 /nfs/dbraw/zinc/01/93/18/326019318.db2.gz RFWCVJPKNKYZSB-UWVGGRQHSA-N 2 0 232.331 1.778 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+]C2CCC([NH3+])CC2)cc1 ZINC000566230160 326019370 /nfs/dbraw/zinc/01/93/70/326019370.db2.gz MKCIRAGEMGNPQX-UHFFFAOYSA-N 3 0 233.359 1.505 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)C1 ZINC000566482014 326055801 /nfs/dbraw/zinc/05/58/01/326055801.db2.gz LPVQAELYOBLCAK-RVMXOQNASA-N 2 0 208.349 1.892 20 0 BDADRP CC[N@H+](CCCO)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000566625314 326069584 /nfs/dbraw/zinc/06/95/84/326069584.db2.gz MHOAXOZFPKUESL-UHFFFAOYSA-N 2 0 248.370 1.537 20 0 BDADRP Cc1nccn1CC[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000566854199 326088223 /nfs/dbraw/zinc/08/82/23/326088223.db2.gz XPKPVAMMSAVFDF-CQSZACIVSA-N 2 0 249.358 1.692 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@@H](F)C1)[C@@H]1CCC[NH2+]1 ZINC000566856209 326088595 /nfs/dbraw/zinc/08/85/95/326088595.db2.gz SRWCPVOTBCEITE-USZNOCQGSA-N 2 0 214.328 1.997 20 0 BDADRP CC[NH2+]Cc1ccccc1NC(=O)C[NH2+]C1CC1 ZINC000567042106 326105145 /nfs/dbraw/zinc/10/51/45/326105145.db2.gz INBYPLDOAQZBKU-UHFFFAOYSA-N 2 0 247.342 1.487 20 0 BDADRP CC[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)C(C)C ZINC000155053017 326182278 /nfs/dbraw/zinc/18/22/78/326182278.db2.gz FESSEWLVSUKNGM-ZIAGYGMSSA-N 2 0 241.423 1.647 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000567482891 326201987 /nfs/dbraw/zinc/20/19/87/326201987.db2.gz APVBIDLBCRYNGQ-TUAOUCFPSA-N 2 0 213.369 1.171 20 0 BDADRP CCO[C@@H]1C[C@@H]1[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000567640424 326236696 /nfs/dbraw/zinc/23/66/96/326236696.db2.gz HXZIWSHHKDMQLM-NOOOWODRSA-N 2 0 212.337 1.142 20 0 BDADRP C[C@H]([NH3+])c1ccc(CNC(=O)CCCC[NH3+])cc1 ZINC000567831079 326265793 /nfs/dbraw/zinc/26/57/93/326265793.db2.gz LCDBWRYCLJNRNC-NSHDSACASA-N 2 0 249.358 1.452 20 0 BDADRP COCC1(CC[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000567893664 326278481 /nfs/dbraw/zinc/27/84/81/326278481.db2.gz ICHCRAQDWZEUKX-CHWSQXEVSA-N 2 0 240.391 1.781 20 0 BDADRP CC(C)[C@@H](C(=O)NCC[NH2+]C(C)(C)C)[NH+](C)C ZINC000157711575 326291795 /nfs/dbraw/zinc/29/17/95/326291795.db2.gz NDODUPHIGHNZBS-NSHDSACASA-N 2 0 243.395 1.077 20 0 BDADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]CC2(F)CC2)C1 ZINC000568053503 326301216 /nfs/dbraw/zinc/30/12/16/326301216.db2.gz JRAZJZMFSMCUEW-ZJUUUORDSA-N 2 0 200.301 1.596 20 0 BDADRP CC[C@@H]1C[N@H+](C)CCN1CC[NH+]1CCCCC1 ZINC000568080405 326305828 /nfs/dbraw/zinc/30/58/28/326305828.db2.gz DZFUOOGDLWKCBT-CQSZACIVSA-N 2 0 239.407 1.498 20 0 BDADRP Cc1cncc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000568247884 326334301 /nfs/dbraw/zinc/33/43/01/326334301.db2.gz ZUUWAEHPYXBLFP-CHWSQXEVSA-N 2 0 219.332 1.750 20 0 BDADRP C[NH+](C)CCOCC[NH2+][C@H]1CCCC12CC2 ZINC000568276840 326340028 /nfs/dbraw/zinc/34/00/28/326340028.db2.gz QBZDSECELLZZBD-LBPRGKRZSA-N 2 0 226.364 1.487 20 0 BDADRP CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000568499434 326359626 /nfs/dbraw/zinc/35/96/26/326359626.db2.gz ZWVNYPNFAVSBJA-WISYIIOYSA-N 2 0 212.337 1.142 20 0 BDADRP CCO[C@@H]1C[C@@H]1[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000568499431 326359770 /nfs/dbraw/zinc/35/97/70/326359770.db2.gz ZWVNYPNFAVSBJA-FIQHERPVSA-N 2 0 212.337 1.142 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]CC2CC[NH2+]CC2)C1 ZINC000568761728 326375767 /nfs/dbraw/zinc/37/57/67/326375767.db2.gz GRKMBDVLMIIFOU-QWHCGFSZSA-N 3 0 225.380 1.093 20 0 BDADRP NC[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000573075976 326428419 /nfs/dbraw/zinc/42/84/19/326428419.db2.gz SYJMLXRLEKPOTF-OCCSQVGLSA-N 2 0 239.407 1.483 20 0 BDADRP CC(C)[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)C1CC1 ZINC000573108949 326430335 /nfs/dbraw/zinc/43/03/35/326430335.db2.gz NDIGGFJMSRLUJS-OLZOCXBDSA-N 2 0 226.364 1.389 20 0 BDADRP CCC[C@H](C)C[NH+]1CCC([NH2+]CCO)CC1 ZINC000309586991 487990781 /nfs/dbraw/zinc/99/07/81/487990781.db2.gz SDZRCHFQOSBINZ-LBPRGKRZSA-N 2 0 228.380 1.469 20 0 BDADRP COCC[C@H](C)[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000123361797 487999851 /nfs/dbraw/zinc/99/98/51/487999851.db2.gz YRANDJSSRJLJAA-LBPRGKRZSA-N 2 0 240.391 1.875 20 0 BDADRP Cn1cccc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655827678 488011029 /nfs/dbraw/zinc/01/10/29/488011029.db2.gz YAMRNVSVVRUIIL-BJHJDKERSA-N 2 0 221.348 1.455 20 0 BDADRP C1[NH2+]C[C@@H]2C[C@H]([NH2+][C@@H]3CCCOC3)CC[C@@H]12 ZINC000400964675 488011642 /nfs/dbraw/zinc/01/16/42/488011642.db2.gz MOVFYQAHRIOBOL-WUHRBBMRSA-N 2 0 224.348 1.143 20 0 BDADRP CC(C)OCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401066057 488025440 /nfs/dbraw/zinc/02/54/40/488025440.db2.gz LLZWBVUNSZHAHS-YNEHKIRRSA-N 2 0 226.364 1.389 20 0 BDADRP Cc1cc(N)cc(C[NH2+]C[C@@]23C[C@@H]2C[NH2+]C3)c1 ZINC000663497213 488046366 /nfs/dbraw/zinc/04/63/66/488046366.db2.gz LRXSYVSIGFMTIG-TZMCWYRMSA-N 2 0 231.343 1.276 20 0 BDADRP CCO[C@@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000084385371 488049966 /nfs/dbraw/zinc/04/99/66/488049966.db2.gz RWQOCXZRDPEDMP-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP Cc1ncc(C[NH+]2CCC([C@@H](C)O)CC2)n1C ZINC000667586528 488053570 /nfs/dbraw/zinc/05/35/70/488053570.db2.gz RFNKSLQJXODPRV-SNVBAGLBSA-N 2 0 237.347 1.321 20 0 BDADRP Cc1ncc(CN2CCOC3(CCCC3)C2)n1C ZINC000667661443 488078622 /nfs/dbraw/zinc/07/86/22/488078622.db2.gz HIBGDHAAYSHNHZ-UHFFFAOYSA-N 2 0 249.358 1.874 20 0 BDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)CC(C)(C)[NH3+] ZINC000236825151 488090849 /nfs/dbraw/zinc/09/08/49/488090849.db2.gz ZRYQDRWTTWYLFR-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000230417289 488100163 /nfs/dbraw/zinc/10/01/63/488100163.db2.gz FITCLJZJZXGDMD-MGPQQGTHSA-N 2 0 240.391 1.469 20 0 BDADRP CC(C)C[C@@H]([NH3+])C(=O)Nc1cccc(C[NH3+])c1 ZINC000669508343 488108877 /nfs/dbraw/zinc/10/88/77/488108877.db2.gz MVBUIBZEOLNLAY-GFCCVEGCSA-N 2 0 235.331 1.457 20 0 BDADRP CCc1nn(C)cc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000168658983 487537345 /nfs/dbraw/zinc/53/73/45/487537345.db2.gz MLFFPYOOVVXBSS-RYUDHWBXSA-N 2 0 236.363 1.342 20 0 BDADRP CC(C)[NH2+]CCCNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000669510489 488112215 /nfs/dbraw/zinc/11/22/15/488112215.db2.gz RCOMPNOBTYENCO-LBPRGKRZSA-N 2 0 241.379 1.023 20 0 BDADRP C[N@H+](C[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CC([NH3+])C1 ZINC000403086368 488113480 /nfs/dbraw/zinc/11/34/80/488113480.db2.gz QEWOIMZTXJGTJF-VFPQWFPESA-N 2 0 208.349 1.844 20 0 BDADRP CC(C)([NH3+])CC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000669510940 488114811 /nfs/dbraw/zinc/11/48/11/488114811.db2.gz HOKUQIRRZHLWDU-UHFFFAOYSA-N 2 0 247.342 1.398 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)CO1 ZINC000657348768 488115995 /nfs/dbraw/zinc/11/59/95/488115995.db2.gz HNFIWXIGJBANOD-CHWSQXEVSA-N 2 0 226.364 1.485 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]1COC ZINC000683140587 488118355 /nfs/dbraw/zinc/11/83/55/488118355.db2.gz AXXIXZVGUSXWFH-CYBMUJFWSA-N 2 0 228.380 1.829 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000667783728 488120046 /nfs/dbraw/zinc/12/00/46/488120046.db2.gz YFSNOUJMZSWSOG-HZSPNIEDSA-N 2 0 240.391 1.733 20 0 BDADRP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCCO1 ZINC000403325589 488121406 /nfs/dbraw/zinc/12/14/06/488121406.db2.gz BSBPAAJTVJKNOL-YIYPIFLZSA-N 2 0 238.375 1.472 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000667823484 488130163 /nfs/dbraw/zinc/13/01/63/488130163.db2.gz SIBJOFYVQNVTPB-WXHSDQCUSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCOCc1ccccc1 ZINC000309747381 487541146 /nfs/dbraw/zinc/54/11/46/487541146.db2.gz UWJHTLMVDPEMDA-ZFWWWQNUSA-N 2 0 248.370 1.872 20 0 BDADRP COC[C@H](C)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662292307 487541470 /nfs/dbraw/zinc/54/14/70/487541470.db2.gz DHMQIFVNMNGZED-JSGCOSHPSA-N 2 0 240.391 1.733 20 0 BDADRP CC[NH+](CC)C[C@@H](C)NC(=O)CCC(C)(C)[NH3+] ZINC000070088326 487548985 /nfs/dbraw/zinc/54/89/85/487548985.db2.gz NVFQJSYZFPXARB-LLVKDONJSA-N 2 0 243.395 1.350 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+]([C@H]2CCCOC2)C1 ZINC000674302104 487554997 /nfs/dbraw/zinc/55/49/97/487554997.db2.gz JOQWJZCHVNKRAJ-OLZOCXBDSA-N 2 0 226.364 1.439 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCCOC2)C1 ZINC000674302105 487555099 /nfs/dbraw/zinc/55/50/99/487555099.db2.gz JOQWJZCHVNKRAJ-QWHCGFSZSA-N 2 0 226.364 1.439 20 0 BDADRP Cc1nnc(CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000391805616 487493641 /nfs/dbraw/zinc/49/36/41/487493641.db2.gz GCTVNRKQMRRUBX-ZJUUUORDSA-N 2 0 240.376 1.249 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)O1 ZINC000227067906 487494040 /nfs/dbraw/zinc/49/40/40/487494040.db2.gz HJFQXFQBAMJLED-IRCOFANPSA-N 2 0 212.337 1.223 20 0 BDADRP CC(C)(CC[N@@H+]1CCCO[C@H](C[NH3+])C1)C1CC1 ZINC000406005490 487495740 /nfs/dbraw/zinc/49/57/40/487495740.db2.gz RRZJJQSCVVQGKY-CYBMUJFWSA-N 2 0 240.391 1.862 20 0 BDADRP C[C@@H](O)C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000666122335 487505154 /nfs/dbraw/zinc/50/51/54/487505154.db2.gz JQQDYKSKZBGLCP-CYBMUJFWSA-N 2 0 248.370 1.753 20 0 BDADRP FC1(F)C[C@H]1OCCN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000662266943 487505195 /nfs/dbraw/zinc/50/51/95/487505195.db2.gz QYPDPWQJLGPRME-GHMZBOCLSA-N 2 0 246.301 1.096 20 0 BDADRP C[N@H+](CCc1cccs1)C[C@H]1CC[NH2+]C1 ZINC000086440975 487509780 /nfs/dbraw/zinc/50/97/80/487509780.db2.gz VMBOFVQWSWNLMF-NSHDSACASA-N 2 0 224.373 1.832 20 0 BDADRP CCOc1cccc(C[N@H+](C)CCC[NH3+])c1 ZINC000227742079 487510029 /nfs/dbraw/zinc/51/00/29/487510029.db2.gz JAZDHENVDXWPAK-UHFFFAOYSA-N 2 0 222.332 1.866 20 0 BDADRP COCCCCC[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000404902255 487517860 /nfs/dbraw/zinc/51/78/60/487517860.db2.gz QIPUEUCSTUOXSU-GHMZBOCLSA-N 2 0 214.353 1.519 20 0 BDADRP COCCCCC[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000404902258 487517917 /nfs/dbraw/zinc/51/79/17/487517917.db2.gz QIPUEUCSTUOXSU-MNOVXSKESA-N 2 0 214.353 1.519 20 0 BDADRP CC[C@@H]1CN(CCO[C@@H]2CC2(F)F)CC[C@@H]1[NH3+] ZINC000662273649 487521666 /nfs/dbraw/zinc/52/16/66/487521666.db2.gz XHSDJOFSGRZNER-OUAUKWLOSA-N 2 0 248.317 1.470 20 0 BDADRP Cc1nocc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000662274259 487523187 /nfs/dbraw/zinc/52/31/87/487523187.db2.gz SJONQBIKAPVXBY-QWHCGFSZSA-N 2 0 249.358 1.805 20 0 BDADRP C[C@H]([NH3+])[C@H](C)NC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662568285 487661002 /nfs/dbraw/zinc/66/10/02/487661002.db2.gz QSYCHHXWOYNPFZ-KWBADKCTSA-N 2 0 247.342 1.073 20 0 BDADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCCc1cncn1C ZINC000314401034 487665357 /nfs/dbraw/zinc/66/53/57/487665357.db2.gz TWNBSKUCMBUXCO-NWDGAFQWSA-N 2 0 236.363 1.022 20 0 BDADRP CC[C@@H](O)C[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000591766935 487798206 /nfs/dbraw/zinc/79/82/06/487798206.db2.gz ZFIZJCVZJXIVLD-LLVKDONJSA-N 2 0 246.420 1.174 20 0 BDADRP CCC[NH+]1CCC(NC[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000666946495 487908640 /nfs/dbraw/zinc/90/86/40/487908640.db2.gz FMCNEVWLMDZSFZ-AAEUAGOBSA-N 2 0 243.370 1.150 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401008865 488016069 /nfs/dbraw/zinc/01/60/69/488016069.db2.gz GADWJGYRSDXZCW-XJFOESAGSA-N 2 0 240.391 1.373 20 0 BDADRP c1ccc2c(c1)CC[C@H]([NH2+]CC13CC(C1)C[NH2+]3)C2 ZINC000663499557 488047774 /nfs/dbraw/zinc/04/77/74/488047774.db2.gz YHFUTWAZWSXPKK-NRAUKZCXSA-N 2 0 242.366 1.886 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667853614 488139233 /nfs/dbraw/zinc/13/92/33/488139233.db2.gz IPDLNRCRDWEUKS-ZIAGYGMSSA-N 2 0 238.375 1.485 20 0 BDADRP CC(C)C[C@@H]([NH3+])C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000669520684 488142100 /nfs/dbraw/zinc/14/21/00/488142100.db2.gz ZPJNKEGCGHLPQU-VXGBXAGGSA-N 2 0 241.379 1.008 20 0 BDADRP C[N@H+](CCc1ccc(F)cc1)C[C@H]1CC[NH2+]C1 ZINC000259010687 488146796 /nfs/dbraw/zinc/14/67/96/488146796.db2.gz XPNVZRAOMWEXKQ-ZDUSSCGKSA-N 2 0 236.334 1.910 20 0 BDADRP C[C@H]([NH2+]CCC1CC(O)C1)C1CC[NH+](C)CC1 ZINC000683345894 488148819 /nfs/dbraw/zinc/14/88/19/488148819.db2.gz NTFCZMRYTVEEMX-DCBWTQNWSA-N 2 0 240.391 1.467 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCCC[C@@H]1C ZINC000379889103 488154685 /nfs/dbraw/zinc/15/46/85/488154685.db2.gz ADRDSKJYWXIRQL-KBPBESRZSA-N 2 0 242.407 1.952 20 0 BDADRP COC[C@H](C)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000167602799 488180764 /nfs/dbraw/zinc/18/07/64/488180764.db2.gz XCXTZMWZWJIXEH-WOPDTQHZSA-N 2 0 214.353 1.186 20 0 BDADRP Cc1nccn1CCCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000678073008 488191110 /nfs/dbraw/zinc/19/11/10/488191110.db2.gz HSNQEFWAMVTGLZ-OKILXGFUSA-N 2 0 248.374 1.123 20 0 BDADRP C[N@@H+]1CCCN(CCC[NH2+]CC2(C)CC2)CC1 ZINC000683769723 488218006 /nfs/dbraw/zinc/21/80/06/488218006.db2.gz ZBSPJBMYOCOBHW-UHFFFAOYSA-N 2 0 239.407 1.404 20 0 BDADRP CO[C@@H]1CC[N@H+](Cc2cnc(C)n2C)C[C@H]1C ZINC000668215350 488228823 /nfs/dbraw/zinc/22/88/23/488228823.db2.gz BMKAHDNGZVXQAT-ZWNOBZJWSA-N 2 0 237.347 1.585 20 0 BDADRP CC(C)[NH2+]CC(=O)NCC[NH+](C(C)C)C(C)C ZINC000037609764 488247495 /nfs/dbraw/zinc/24/74/95/488247495.db2.gz RDMYZMAYUKGVKC-UHFFFAOYSA-N 2 0 243.395 1.219 20 0 BDADRP C([NH2+][C@@H]1CCCOC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000070013474 490197591 /nfs/dbraw/zinc/19/75/91/490197591.db2.gz FUMLCSKGSILTDK-VXGBXAGGSA-N 2 0 224.348 1.239 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+]CC2CC[NH+](C)CC2)C1 ZINC000070327328 490208467 /nfs/dbraw/zinc/20/84/67/490208467.db2.gz OHALIQMGWXNSLY-KGLIPLIRSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]([NH2+]Cc1ccnn1C)C1CC[NH+](C)CC1 ZINC000071333298 490260076 /nfs/dbraw/zinc/26/00/76/490260076.db2.gz AMYRPRWOOYGPCS-NSHDSACASA-N 2 0 236.363 1.240 20 0 BDADRP C[C@@H]([NH2+]Cc1ccnn1C)C1CC[NH+](C)CC1 ZINC000071333300 490260392 /nfs/dbraw/zinc/26/03/92/490260392.db2.gz AMYRPRWOOYGPCS-LLVKDONJSA-N 2 0 236.363 1.240 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCOC1)C1CC[NH+](C)CC1 ZINC000087783991 491092085 /nfs/dbraw/zinc/09/20/85/491092085.db2.gz PGXMRHMAFUXDLL-PWSUYJOCSA-N 2 0 212.337 1.095 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000422741420 491101167 /nfs/dbraw/zinc/10/11/67/491101167.db2.gz DMDNMNNICLFFJB-OFTGVCEQSA-N 2 0 224.348 1.284 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccncc2)C1 ZINC000086402367 491123869 /nfs/dbraw/zinc/12/38/69/491123869.db2.gz VLRXSHVMRFIHKG-VXGBXAGGSA-N 2 0 205.305 1.441 20 0 BDADRP COCC(C)(C)C[N@H+](C)CC1CN(C)C1 ZINC000668538686 491127219 /nfs/dbraw/zinc/12/72/19/491127219.db2.gz ABVVGYXFWPTOSM-UHFFFAOYSA-N 2 0 214.353 1.152 20 0 BDADRP O[C@H](CC1CCCC1)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000300034432 491132660 /nfs/dbraw/zinc/13/26/60/491132660.db2.gz XGNGCFXZDFTOEX-MELADBBJSA-N 2 0 238.375 1.079 20 0 BDADRP C[C@H]([NH2+]CCCCCC[NH3+])c1nccn1C ZINC000843342055 582486492 /nfs/dbraw/zinc/48/64/92/582486492.db2.gz MZGFAEALKGVIAC-NSHDSACASA-N 2 0 224.352 1.590 20 0 BDADRP C[C@H](CCCC[NH3+])NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000495147014 533842874 /nfs/dbraw/zinc/84/28/74/533842874.db2.gz NCZRVRLKGYAOIV-YPMHNXCESA-N 2 0 241.379 1.152 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CCCCO1)[C@@H]1CCC[NH2+]1 ZINC000400756852 533863377 /nfs/dbraw/zinc/86/33/77/533863377.db2.gz XEBWRSVQIDWFDX-AVGNSLFASA-N 2 0 226.364 1.676 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)[C@H](C)O1 ZINC000401000143 533963988 /nfs/dbraw/zinc/96/39/88/533963988.db2.gz BAZLEHLTFLIOJZ-LEZGYBIHSA-N 2 0 238.375 1.530 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@H](CO)C1)[C@@H]1CCC[NH2+]1 ZINC000400728267 533985792 /nfs/dbraw/zinc/98/57/92/533985792.db2.gz PXMQFUQJIJENSZ-RVMXOQNASA-N 2 0 226.364 1.268 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400986152 534179489 /nfs/dbraw/zinc/17/94/89/534179489.db2.gz YWZXGUUPSKKXKW-CLPYTZEMSA-N 2 0 224.348 1.142 20 0 BDADRP CC(C)(C)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000257685288 534604518 /nfs/dbraw/zinc/60/45/18/534604518.db2.gz HYOOFQNTPIJFFZ-LBPRGKRZSA-N 2 0 225.380 1.012 20 0 BDADRP C[N@@H+](Cc1cccc2ccccc21)C[C@H](O)C[NH3+] ZINC000259115952 536477588 /nfs/dbraw/zinc/47/75/88/536477588.db2.gz SUONAFSMSXPWAI-CQSZACIVSA-N 2 0 244.338 1.591 20 0 BDADRP C(C[NH2+]CC[C@@H]1CCOC1)C[NH+]1CCCCC1 ZINC000401407254 527484469 /nfs/dbraw/zinc/48/44/69/527484469.db2.gz OSAFPABOCJGLME-CQSZACIVSA-N 2 0 240.391 1.879 20 0 BDADRP CCC[N@H+](CC)CCN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000400322310 527979517 /nfs/dbraw/zinc/97/95/17/527979517.db2.gz BKTKHZZLAOWFQZ-CHWSQXEVSA-N 2 0 227.396 1.448 20 0 BDADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000494999097 528143636 /nfs/dbraw/zinc/14/36/36/528143636.db2.gz RAEKWHFVXKVKTB-BFHYXJOUSA-N 2 0 242.407 1.979 20 0 BDADRP CC(C)C[C@H](C[NH3+])NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000494573670 528505882 /nfs/dbraw/zinc/50/58/82/528505882.db2.gz HCMSBJRCWSJMID-VXGBXAGGSA-N 2 0 241.379 1.008 20 0 BDADRP CC(C)[NH+](CCN[C@@H](C)[C@@H]1CCC[NH2+]1)C(C)C ZINC000400755838 528906609 /nfs/dbraw/zinc/90/66/09/528906609.db2.gz WZBKGOKMCWSERZ-KBPBESRZSA-N 2 0 241.423 1.835 20 0 BDADRP CCOC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401078620 528979958 /nfs/dbraw/zinc/97/99/58/528979958.db2.gz PVZVRUXLIBLJGU-QNWHQSFQSA-N 2 0 226.364 1.389 20 0 BDADRP CCCN1CC[NH+](C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000233034808 534927921 /nfs/dbraw/zinc/92/79/21/534927921.db2.gz VLWJZABDQKNZTP-KBPBESRZSA-N 2 0 239.407 1.402 20 0 BDADRP CCC[NH2+]CCNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000263071107 535170445 /nfs/dbraw/zinc/17/04/45/535170445.db2.gz WMCAPZJSRIUBSG-WCQYABFASA-N 2 0 241.379 1.010 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)[C@](C)([NH3+])CCC ZINC000262615213 535354746 /nfs/dbraw/zinc/35/47/46/535354746.db2.gz XWTKFGVSCOWVDX-CMPLNLGQSA-N 2 0 229.368 1.138 20 0 BDADRP CC[NH2+]CC1CC[NH+]([C@@H](C)CCOC)CC1 ZINC000087645387 535461324 /nfs/dbraw/zinc/46/13/24/535461324.db2.gz BDBDWGDOVHEZOK-LBPRGKRZSA-N 2 0 228.380 1.733 20 0 BDADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)C2CC2)CC1 ZINC000177212745 535699203 /nfs/dbraw/zinc/69/92/03/535699203.db2.gz YOGNPLGIJAYYRJ-ZDUSSCGKSA-N 2 0 239.407 1.402 20 0 BDADRP CC[C@@H]1C[C@H](C[N@@H+]2CC[C@@](C)(C[NH3+])C2)CCO1 ZINC000261897892 535898568 /nfs/dbraw/zinc/89/85/68/535898568.db2.gz WDMBXGIHBGSXFA-MCIONIFRSA-N 2 0 240.391 1.862 20 0 BDADRP C[NH+](C)Cc1ccc(CNC2=[NH+]CCCN2)cc1 ZINC000261765678 536011951 /nfs/dbraw/zinc/01/19/51/536011951.db2.gz LXVRTILFARLNEM-UHFFFAOYSA-N 2 0 246.358 1.187 20 0 BDADRP C[NH+](C)Cc1cccc(CNC2=[NH+]CCCN2)c1 ZINC000261740285 536032911 /nfs/dbraw/zinc/03/29/11/536032911.db2.gz ILIJKPZALKYPGD-UHFFFAOYSA-N 2 0 246.358 1.187 20 0 BDADRP CN(C)[C@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000084420597 536138397 /nfs/dbraw/zinc/13/83/97/536138397.db2.gz JHKDCWHDJLVDOL-STQMWFEESA-N 2 0 225.380 1.012 20 0 BDADRP CC(=O)OC[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000892607164 582928420 /nfs/dbraw/zinc/92/84/20/582928420.db2.gz HVLLPXYJUDBOGG-DRZSPHRISA-N 2 0 240.347 1.154 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CC1(C)CCCC1 ZINC000234712748 536593774 /nfs/dbraw/zinc/59/37/74/536593774.db2.gz ZFNMBBXHSINEPV-GFCCVEGCSA-N 2 0 228.380 1.910 20 0 BDADRP COC1(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)CCC1 ZINC000252772225 536685191 /nfs/dbraw/zinc/68/51/91/536685191.db2.gz ISVOZFUZQSFADW-VXGBXAGGSA-N 2 0 226.364 1.485 20 0 BDADRP CO[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000261535412 536686254 /nfs/dbraw/zinc/68/62/54/536686254.db2.gz YJFYXVHBHSJJRY-WCQYABFASA-N 2 0 226.364 1.485 20 0 BDADRP CO[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000261534126 536706902 /nfs/dbraw/zinc/70/69/02/536706902.db2.gz NKDGOGYIFYUITE-XQHKEYJVSA-N 2 0 226.364 1.661 20 0 BDADRP COC1CCC([NH2+][C@@H](C)CC[NH+](C)C)CC1 ZINC000164251049 536738301 /nfs/dbraw/zinc/73/83/01/536738301.db2.gz AURRVHYLIDRXGU-HIFPTAJRSA-N 2 0 228.380 1.874 20 0 BDADRP COCC[C@@H](C)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226326410 536768446 /nfs/dbraw/zinc/76/84/46/536768446.db2.gz SBMBDAOSCFIDFJ-NEPJUHHUSA-N 2 0 214.353 1.472 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCCCS1 ZINC000234788995 536850760 /nfs/dbraw/zinc/85/07/60/536850760.db2.gz SIXBLHBZIWBPGY-RYUDHWBXSA-N 2 0 246.420 1.616 20 0 BDADRP COCCCCC[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000226419779 536872025 /nfs/dbraw/zinc/87/20/25/536872025.db2.gz VPKYTYWPRNLABG-NSHDSACASA-N 2 0 200.326 1.084 20 0 BDADRP COCCCCC[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000226419785 536872698 /nfs/dbraw/zinc/87/26/98/536872698.db2.gz VPKYTYWPRNLABG-LLVKDONJSA-N 2 0 200.326 1.084 20 0 BDADRP COc1ccc(C[NH2+]C[C@@H](C)C[NH3+])c(OC)c1 ZINC000258791160 536893598 /nfs/dbraw/zinc/89/35/98/536893598.db2.gz QBFKTZNJGKTQKP-JTQLQIEISA-N 2 0 238.331 1.388 20 0 BDADRP C(C1CCC1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335623931 566405736 /nfs/dbraw/zinc/40/57/36/566405736.db2.gz RFGZALGNWAYQMV-CYBMUJFWSA-N 2 0 208.349 1.862 20 0 BDADRP [NH3+]C[C@H]1CCCN1CCC1SCCS1 ZINC000853022951 588716798 /nfs/dbraw/zinc/71/67/98/588716798.db2.gz IWTKRJPCXGUEDH-SECBINFHSA-N 2 0 232.418 1.606 20 0 BDADRP CC(C)[C@H]1CC[C@@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000854226598 588780596 /nfs/dbraw/zinc/78/05/96/588780596.db2.gz IQZUQMOZMNUEBW-QBHFIFKDSA-N 2 0 208.349 1.763 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000348100667 582525027 /nfs/dbraw/zinc/52/50/27/582525027.db2.gz HCAKRDNZBCMCPM-UONOGXRCSA-N 2 0 240.391 1.733 20 0 BDADRP Cc1cc(N)nc(NC[C@H]2CC[N@@H+](C3CC3)C2)[nH+]1 ZINC000891781388 582720578 /nfs/dbraw/zinc/72/05/78/582720578.db2.gz IGLIXHWRTCGJPV-SNVBAGLBSA-N 2 0 247.346 1.263 20 0 BDADRP CC[NH+](CC)C[C@@H](C)Nc1cc[nH+]cc1CO ZINC000892033963 582767652 /nfs/dbraw/zinc/76/76/52/582767652.db2.gz YJNIPLAYVGNHMJ-LLVKDONJSA-N 2 0 237.347 1.138 20 0 BDADRP Cc1cc(N)nc(NC[C@@H]2CC[N@@H+](C(C)C)C2)[nH+]1 ZINC000892081028 582787447 /nfs/dbraw/zinc/78/74/47/582787447.db2.gz UMJUSCFTALAORX-NSHDSACASA-N 2 0 249.362 1.509 20 0 BDADRP CC(C)CCNC(=[NH2+])NC[C@@H](C)[NH+]1CCCC1 ZINC000848986685 582818261 /nfs/dbraw/zinc/81/82/61/582818261.db2.gz UKKZMEPTRMHVPM-GFCCVEGCSA-N 2 0 240.395 1.631 20 0 BDADRP CC(C)[N@H+](C)CCCNC(=[NH2+])NC1CCC1 ZINC000848987574 582818375 /nfs/dbraw/zinc/81/83/75/582818375.db2.gz IFXQRTXTQVDZCC-UHFFFAOYSA-N 2 0 226.368 1.383 20 0 BDADRP CCN(CC)[C@H](C)C[NH2+]CC1CC[NH+](C)CC1 ZINC000892517975 582905155 /nfs/dbraw/zinc/90/51/55/582905155.db2.gz WOTLSVTVKDRBMM-CYBMUJFWSA-N 2 0 241.423 1.648 20 0 BDADRP C[NH+]1CCC(C[NH2+]CCc2ccccc2O)CC1 ZINC000892787579 582982811 /nfs/dbraw/zinc/98/28/11/582982811.db2.gz RFWKTPKRKACUEB-UHFFFAOYSA-N 2 0 248.370 1.866 20 0 BDADRP CO[C@@H](C[NH2+]CC1CC[NH+](C)CC1)C(C)(C)C ZINC000893086021 583047320 /nfs/dbraw/zinc/04/73/20/583047320.db2.gz LZRVUDBQEXDOHA-ZDUSSCGKSA-N 2 0 242.407 1.979 20 0 BDADRP Cc1cc(N)nc(N(C)CCC[NH+]2CCCC2)[nH+]1 ZINC000893668289 583191126 /nfs/dbraw/zinc/19/11/26/583191126.db2.gz JRWBEUXDMQHSDB-UHFFFAOYSA-N 2 0 249.362 1.289 20 0 BDADRP COCC1=CC[N@H+](CC2CC[NH+](C)CC2)CC1 ZINC000893679834 583197758 /nfs/dbraw/zinc/19/77/58/583197758.db2.gz CECYGNYABZWYNG-UHFFFAOYSA-N 2 0 238.375 1.607 20 0 BDADRP C[N@H+](CCCCNc1cc[nH+]cc1CO)C1CC1 ZINC000894143135 583317630 /nfs/dbraw/zinc/31/76/30/583317630.db2.gz SIDIEAZIQAVAHW-UHFFFAOYSA-N 2 0 249.358 1.282 20 0 BDADRP Cc1ccnc(N)c1C[NH2+]CCCC[NH+](C)C ZINC000894208429 583360744 /nfs/dbraw/zinc/36/07/44/583360744.db2.gz HYXGWDZXWWNUMT-UHFFFAOYSA-N 2 0 236.363 1.404 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCC12CCOCC2 ZINC000857252774 588901583 /nfs/dbraw/zinc/90/15/83/588901583.db2.gz CMQBMENVEAAQPK-WDEREUQCSA-N 2 0 212.337 1.273 20 0 BDADRP [NH3+][C@]12CCC[C@@H]1C[N@H+](C[C@@H]1CCCOC1)C2 ZINC000857226504 588895924 /nfs/dbraw/zinc/89/59/24/588895924.db2.gz QDDMBJULAAGOHI-XQQFMLRXSA-N 2 0 224.348 1.226 20 0 BDADRP OCC[C@@H](C[NH2+]Cc1cnc[nH]1)c1ccccc1 ZINC000894289480 583412335 /nfs/dbraw/zinc/41/23/35/583412335.db2.gz NLBXCNRYNDLALM-ZDUSSCGKSA-N 2 0 245.326 1.666 20 0 BDADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2cnc[nH]2)c1 ZINC000894383290 583442671 /nfs/dbraw/zinc/44/26/71/583442671.db2.gz FIEZACMMGGEYRR-UHFFFAOYSA-N 2 0 244.342 1.761 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cnccn1 ZINC000894984869 583564391 /nfs/dbraw/zinc/56/43/91/583564391.db2.gz MPDDKDDRUVQEGF-OLZOCXBDSA-N 2 0 248.374 1.859 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cnccn1 ZINC000894984868 583564538 /nfs/dbraw/zinc/56/45/38/583564538.db2.gz MPDDKDDRUVQEGF-CHWSQXEVSA-N 2 0 248.374 1.859 20 0 BDADRP c1ncn2c1C[C@H](Nc1ccnc(C3CC3)n1)C2 ZINC000894995359 583566214 /nfs/dbraw/zinc/56/62/14/583566214.db2.gz BYMQAKHHNDYGFJ-JTQLQIEISA-N 2 0 241.298 1.587 20 0 BDADRP CC[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000895146275 583604531 /nfs/dbraw/zinc/60/45/31/583604531.db2.gz DQBAFBZPNCTSJE-GXTWGEPZSA-N 2 0 240.391 1.828 20 0 BDADRP Cc1ccnc(N)c1CNCC[C@@H](C)[NH+](C)C ZINC000895290520 583637926 /nfs/dbraw/zinc/63/79/26/583637926.db2.gz KHWKEYOCWWNJKT-LLVKDONJSA-N 2 0 236.363 1.402 20 0 BDADRP CO[C@@](C)(C[NH2+]CC[C@H](C)[NH+](C)C)C1CC1 ZINC000895294373 583638380 /nfs/dbraw/zinc/63/83/80/583638380.db2.gz VIUFPBICDPYMDD-AAEUAGOBSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@@H](CC[NH2+]Cc1ccc(=O)[nH]c1)[NH+](C)C ZINC000895292350 583638821 /nfs/dbraw/zinc/63/88/21/583638821.db2.gz PQWKUOKRMSVSBP-JTQLQIEISA-N 2 0 223.320 1.217 20 0 BDADRP C[C@@H](CC[NH2+]CCC[C@@H]1CCO1)[NH+](C)C ZINC000895292653 583639121 /nfs/dbraw/zinc/63/91/21/583639121.db2.gz SYNONSFIIWPKAW-NWDGAFQWSA-N 2 0 214.353 1.485 20 0 BDADRP COC1CC(CC[NH2+]CC2CC[NH+](C)CC2)C1 ZINC000895305411 583643438 /nfs/dbraw/zinc/64/34/38/583643438.db2.gz XKIHFHVBBIAVTK-UHFFFAOYSA-N 2 0 240.391 1.733 20 0 BDADRP Cn1c2cc(F)ccc2nc1NC[C@@H]1CC[N@@H+]1C ZINC000895769961 583724561 /nfs/dbraw/zinc/72/45/61/583724561.db2.gz WUTVDHXQHFUOTM-JTQLQIEISA-N 2 0 248.305 1.828 20 0 BDADRP CCO[C@@H](CNc1cc[nH+]c(C)c1)C[NH+](C)C ZINC000896117476 583772115 /nfs/dbraw/zinc/77/21/15/583772115.db2.gz VFRVWMOCHKUUKC-ZDUSSCGKSA-N 2 0 237.347 1.191 20 0 BDADRP CN(C)c1ccnc(C[NH2+]CCC[C@H]2CCO2)c1 ZINC000896299115 583789787 /nfs/dbraw/zinc/78/97/87/583789787.db2.gz RYWSTQNWZQEUAF-AWEZNQCLSA-N 2 0 249.358 1.806 20 0 BDADRP CC(C)[C@H](C(=O)NCC(C)(C)[NH+](C)C)[C@H](C)[NH3+] ZINC000399456481 583794610 /nfs/dbraw/zinc/79/46/10/583794610.db2.gz PVAVOQMRRXITOX-QWRGUYRKSA-N 2 0 243.395 1.062 20 0 BDADRP [NH3+]CC1CC[NH+](CCSC(F)(F)F)CC1 ZINC000123492529 583850353 /nfs/dbraw/zinc/85/03/53/583850353.db2.gz PDIBSDDBTPCRJK-UHFFFAOYSA-N 2 0 242.310 1.910 20 0 BDADRP C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000863483217 583992338 /nfs/dbraw/zinc/99/23/38/583992338.db2.gz RRACLEQDUGDOLB-FRRDWIJNSA-N 2 0 238.375 1.676 20 0 BDADRP CC[NH+](CC)C[C@H](C)Nc1cc[nH+]c(CO)c1 ZINC000858364673 588948538 /nfs/dbraw/zinc/94/85/38/588948538.db2.gz GWOIDXYRGZTATR-NSHDSACASA-N 2 0 237.347 1.716 20 0 BDADRP OCc1cc(N[C@@H]2CC[N@@H+](C3CC3)C2)cc[nH+]1 ZINC000858363027 588948735 /nfs/dbraw/zinc/94/87/35/588948735.db2.gz DJXQVRQIQRBTFR-LLVKDONJSA-N 2 0 233.315 1.223 20 0 BDADRP C[C@H]1C[C@H]1NC(=[NH2+])NCCCC[N@H+](C)C1CC1 ZINC000864465567 584008375 /nfs/dbraw/zinc/00/83/75/584008375.db2.gz AADGIMUGXMECMU-CMPLNLGQSA-N 2 0 238.379 1.383 20 0 BDADRP CCC[N@@H+]1CC[C@@H](CNc2cc[nH+]c(CO)c2)C1 ZINC000858361120 588948839 /nfs/dbraw/zinc/94/88/39/588948839.db2.gz HTFOYYVFEHCCSI-LBPRGKRZSA-N 2 0 249.358 1.718 20 0 BDADRP C[NH+](C)[C@H]1CCC[C@H](Nc2cc[nH+]c(CO)c2)C1 ZINC000858436735 588954861 /nfs/dbraw/zinc/95/48/61/588954861.db2.gz OPTIHRWNVYPXNI-FZMZJTMJSA-N 2 0 249.358 1.859 20 0 BDADRP CO[C@@H](C[N@H+](C)CC(C)(C)C[NH+](C)C)C1CC1 ZINC000898306566 584109702 /nfs/dbraw/zinc/10/97/02/584109702.db2.gz MGJAFQIZWDNOKE-ZDUSSCGKSA-N 2 0 242.407 1.931 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@H]2COC[C@@H]2C2CC2)CC1 ZINC000898377622 584112822 /nfs/dbraw/zinc/11/28/22/584112822.db2.gz WKPDSXIKEMSIPB-ZIAGYGMSSA-N 2 0 238.375 1.343 20 0 BDADRP CC[N@@H+]1C[C@@H](C)N(c2cc[nH+]c(CO)c2)C[C@@H]1C ZINC000858462954 588957715 /nfs/dbraw/zinc/95/77/15/588957715.db2.gz ZHMSPMOFEILBCM-NWDGAFQWSA-N 2 0 249.358 1.493 20 0 BDADRP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873257314 584128284 /nfs/dbraw/zinc/12/82/84/584128284.db2.gz RXHCFJXCWMIEFN-SZEHBUNVSA-N 2 0 208.309 1.106 20 0 BDADRP C[C@@H]([NH2+]CCC[C@@H]1CCOC1=O)[C@@H]1CCC[NH2+]1 ZINC000873283635 584129104 /nfs/dbraw/zinc/12/91/04/584129104.db2.gz YLWUOYGWBUNJFI-UTUOFQBUSA-N 2 0 240.347 1.060 20 0 BDADRP C[C@@H](NC(=[NH2+])NCC1([NH+](C)C)CCC1)C1CC1 ZINC000899272097 584192027 /nfs/dbraw/zinc/19/20/27/584192027.db2.gz XRLKDHALDKUEDR-SNVBAGLBSA-N 2 0 238.379 1.383 20 0 BDADRP C[C@@H](CNC(=[NH2+])N[C@@H](C)C1CC1)C[NH+](C)C ZINC000899272369 584192099 /nfs/dbraw/zinc/19/20/99/584192099.db2.gz DSLVOSDWZNWBDC-UWVGGRQHSA-N 2 0 226.368 1.097 20 0 BDADRP C[C@H](NC(=[NH2+])NCC[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC000899267643 584192991 /nfs/dbraw/zinc/19/29/91/584192991.db2.gz RAKJFNDXXCNUQQ-MNOVXSKESA-N 2 0 238.379 1.241 20 0 BDADRP CC(C)[NH+](Cc1cn(CCC[NH3+])nn1)C(C)C ZINC000899687672 584224703 /nfs/dbraw/zinc/22/47/03/584224703.db2.gz XWFAECACWLTMSP-UHFFFAOYSA-N 2 0 239.367 1.246 20 0 BDADRP [NH3+]CCCCCn1cc([C@@H]2CCCC[NH2+]2)nn1 ZINC000899710914 584227699 /nfs/dbraw/zinc/22/76/99/584227699.db2.gz AZYZECDOCRAIIR-NSHDSACASA-N 2 0 237.351 1.222 20 0 BDADRP [NH3+]CCCCCn1cc([C@H]2CCCC[NH2+]2)nn1 ZINC000899710913 584227758 /nfs/dbraw/zinc/22/77/58/584227758.db2.gz AZYZECDOCRAIIR-LLVKDONJSA-N 2 0 237.351 1.222 20 0 BDADRP C[NH+]1CCC2(CC[N@@H+]2CC2(O)CCCC2)CC1 ZINC000899911060 584253100 /nfs/dbraw/zinc/25/31/00/584253100.db2.gz PFOVSYRSNYIUPX-UHFFFAOYSA-N 2 0 238.375 1.462 20 0 BDADRP C[NH2+][C@@H](C)Cc1noc([C@@H]2CCCC[C@@H]2[NH3+])n1 ZINC000900008268 584264846 /nfs/dbraw/zinc/26/48/46/584264846.db2.gz CHEYKSRDDCDLHR-AEJSXWLSSA-N 2 0 238.335 1.205 20 0 BDADRP C[NH2+][C@@H](C)Cc1noc(C[C@H]([NH3+])CC(C)C)n1 ZINC000900008308 584265063 /nfs/dbraw/zinc/26/50/63/584265063.db2.gz DMKWXEGKAFSREV-VHSXEESVSA-N 2 0 240.351 1.136 20 0 BDADRP C[NH2+][C@H](C)Cc1noc(C[C@@H]([NH3+])C(C)(C)C)n1 ZINC000900010553 584265392 /nfs/dbraw/zinc/26/53/92/584265392.db2.gz SXEQZRKNGXDSIA-RKDXNWHRSA-N 2 0 240.351 1.136 20 0 BDADRP C1C[NH2+][C@@H](c2noc([C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)n2)C1 ZINC000900010545 584265596 /nfs/dbraw/zinc/26/55/96/584265596.db2.gz SUFHYEGJNXURFD-SGIHWFKDSA-N 2 0 234.303 1.102 20 0 BDADRP CCn1cnc(C[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000902199799 584537324 /nfs/dbraw/zinc/53/73/24/584537324.db2.gz XTONIHJWHVAMIC-UHFFFAOYSA-N 2 0 236.363 1.334 20 0 BDADRP COCCC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902319983 584552448 /nfs/dbraw/zinc/55/24/48/584552448.db2.gz NYUTXHHGUAKGPB-LLVKDONJSA-N 2 0 214.353 1.391 20 0 BDADRP CCOCC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902347188 584559165 /nfs/dbraw/zinc/55/91/65/584559165.db2.gz GHLTXLWCLCTKNH-LLVKDONJSA-N 2 0 214.353 1.391 20 0 BDADRP CC(C)C[C@@H](O)C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902349538 584559758 /nfs/dbraw/zinc/55/97/58/584559758.db2.gz XKKRDUBCXDSGMN-QWHCGFSZSA-N 2 0 242.407 1.761 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCc2ccncc2)C1 ZINC000902358548 584570590 /nfs/dbraw/zinc/57/05/90/584570590.db2.gz CJTLQNVWKAKMMA-CQSZACIVSA-N 2 0 247.386 1.992 20 0 BDADRP CC(C)[C@@H](CO)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902360697 584571732 /nfs/dbraw/zinc/57/17/32/584571732.db2.gz MKEVMUNWSQBEOX-NWDGAFQWSA-N 2 0 228.380 1.371 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CC2(O)CCC2)C1 ZINC000902362103 584572909 /nfs/dbraw/zinc/57/29/09/584572909.db2.gz VWPGNCQFJTYHBT-NSHDSACASA-N 2 0 226.364 1.269 20 0 BDADRP COCC(COC)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902387233 584579033 /nfs/dbraw/zinc/57/90/33/584579033.db2.gz IMPVXULAUGXEHL-NSHDSACASA-N 2 0 244.379 1.016 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H](NC[C@@H]([NH3+])C2CC2)C1 ZINC000902392433 584582759 /nfs/dbraw/zinc/58/27/59/584582759.db2.gz HFRGAQMGZIDYKX-VXGBXAGGSA-N 2 0 225.380 1.092 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000902392084 584583106 /nfs/dbraw/zinc/58/31/06/584583106.db2.gz JZJOFEXCRMQYRJ-LPWJVIDDSA-N 2 0 238.375 1.674 20 0 BDADRP CCC[C@@H](CCO)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902399038 584586200 /nfs/dbraw/zinc/58/62/00/584586200.db2.gz TZMPKYBQZFTRJX-STQMWFEESA-N 2 0 242.407 1.905 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902400083 584587097 /nfs/dbraw/zinc/58/70/97/584587097.db2.gz XUZMBLIUAYOFGY-QJPTWQEYSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCON ZINC000902415783 584589985 /nfs/dbraw/zinc/58/99/85/584589985.db2.gz QZFDDIVQTZPLKH-NWDGAFQWSA-N 2 0 229.368 1.167 20 0 BDADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC(C)(C)C1CC1 ZINC000902429780 584594877 /nfs/dbraw/zinc/59/48/77/584594877.db2.gz GYXGQXSRNHWYSU-CYZMBNFOSA-N 2 0 240.391 1.765 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CC[C@@H]2CCCC[C@@H]2O)C1 ZINC000902428339 584594964 /nfs/dbraw/zinc/59/49/64/584594964.db2.gz CEXPHKXXUFQPGP-FQUUOJAGSA-N 2 0 240.391 1.787 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CCC(C)(C)CO1)C1C[NH2+]C1 ZINC000902433180 584595371 /nfs/dbraw/zinc/59/53/71/584595371.db2.gz YDTLYOOYVVKDHF-YPMHNXCESA-N 2 0 240.391 1.779 20 0 BDADRP [NH3+][C@@H]1c2ccccc2C[C@H]1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000902436124 584596531 /nfs/dbraw/zinc/59/65/31/584596531.db2.gz XIPDBVPWPICUJF-DDHJSBNISA-N 2 0 245.370 1.471 20 0 BDADRP CCOC[C@H](C)[NH2+][C@@H]1Cc2ccccc2[C@H]1N ZINC000902439272 584597047 /nfs/dbraw/zinc/59/70/47/584597047.db2.gz QPWFAOWEPIODIW-ZLKJLUDKSA-N 2 0 234.343 1.626 20 0 BDADRP CC[N@@H+]1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)[C@@H](C)C1 ZINC000902472936 584601244 /nfs/dbraw/zinc/60/12/44/584601244.db2.gz LZPMZDLMKOMZNI-ZUWCUPBKSA-N 2 0 237.391 1.199 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H](NC[C@H]2CCCCC[NH2+]2)C1 ZINC000902474088 584602015 /nfs/dbraw/zinc/60/20/15/584602015.db2.gz AEIPFRBHONDXPA-JHJVBQTASA-N 2 0 225.380 1.378 20 0 BDADRP C(N[C@H]1CC[NH2+]C12CCC2)[C@H]1CCCCC[NH2+]1 ZINC000902474851 584602702 /nfs/dbraw/zinc/60/27/02/584602702.db2.gz FZJPHIRRMSOTQI-OLZOCXBDSA-N 2 0 237.391 1.393 20 0 BDADRP COCCC[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902475957 584603009 /nfs/dbraw/zinc/60/30/09/584603009.db2.gz KJXKIPKLCJOAGC-WISYIIOYSA-N 2 0 212.337 1.284 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1NC[C@H]1CCCCC[NH2+]1 ZINC000902478711 584603630 /nfs/dbraw/zinc/60/36/30/584603630.db2.gz WJFGNDUAVFMYBK-NEPJUHHUSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902447272 584604877 /nfs/dbraw/zinc/60/48/77/584604877.db2.gz XUOPLVYDYIWIKS-GHMZBOCLSA-N 3 0 213.369 1.092 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc2nonc2c1 ZINC000902453474 584607818 /nfs/dbraw/zinc/60/78/18/584607818.db2.gz DEEXYUJCIOLYBC-JTQLQIEISA-N 2 0 248.330 1.830 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902454770 584609164 /nfs/dbraw/zinc/60/91/64/584609164.db2.gz VHQKLNGNTADZDP-DIVMYUDWSA-N 2 0 236.359 1.140 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCSC(C)(C)C1)C1C[NH2+]C1 ZINC000902455842 584609414 /nfs/dbraw/zinc/60/94/14/584609414.db2.gz ZLPZRLIIEGCDER-GXSJLCMTSA-N 2 0 228.405 1.858 20 0 BDADRP C[C@H]1[NH2+]CCC[C@@H]1NCC[N@@H+]1CCC(C)(C)C1 ZINC000902456655 584610174 /nfs/dbraw/zinc/61/01/74/584610174.db2.gz QADQPTLNIXCPQH-OLZOCXBDSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)c1cncs1 ZINC000902456378 584610216 /nfs/dbraw/zinc/61/02/16/584610216.db2.gz ONPVSRYJDUDCNX-CIUDSAMLSA-N 2 0 213.350 1.920 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCCC(C)(C)O1)C1C[NH2+]C1 ZINC000902461542 584611370 /nfs/dbraw/zinc/61/13/70/584611370.db2.gz ONERMZIBKQHWCE-PWSUYJOCSA-N 2 0 226.364 1.532 20 0 BDADRP [NH3+][C@@H]1C[C@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c2ccccc21 ZINC000902465670 584613944 /nfs/dbraw/zinc/61/39/44/584613944.db2.gz HWFPTYHXSKXUSG-DALJILGISA-N 2 0 243.354 1.614 20 0 BDADRP [NH3+]C[C@H]1C[C@H]([NH2+]C2CCSCC2)C1 ZINC000902489964 584617660 /nfs/dbraw/zinc/61/76/60/584617660.db2.gz TVVYFFKQXSBUDW-CZMCAQCFSA-N 2 0 200.351 1.209 20 0 BDADRP CC1(C)C[C@@H]([NH2+]CC[C@@H](O)C2CC2)C[C@@H]([NH3+])C1 ZINC000902506640 584622005 /nfs/dbraw/zinc/62/20/05/584622005.db2.gz ZCZYPDSYOGAYGE-FRRDWIJNSA-N 2 0 240.391 1.643 20 0 BDADRP Cc1ncccc1CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000902511463 584623513 /nfs/dbraw/zinc/62/35/13/584623513.db2.gz FBOQVZRVOSZRCJ-KBPBESRZSA-N 2 0 233.359 1.792 20 0 BDADRP COCCC[C@H](C)[NH2+]C[C@H]1CCCCC[NH2+]1 ZINC000902481951 584623931 /nfs/dbraw/zinc/62/39/31/584623931.db2.gz IPYXPEKUAFNEQI-QWHCGFSZSA-N 2 0 228.380 1.923 20 0 BDADRP C[C@@H](CCCCO)[NH2+]C[C@H]1CCCCC[NH2+]1 ZINC000902481632 584624078 /nfs/dbraw/zinc/62/40/78/584624078.db2.gz FVDOBWLCWVECOO-QWHCGFSZSA-N 2 0 228.380 1.659 20 0 BDADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2CCCc3n[nH]cc32)C1 ZINC000902485219 584624603 /nfs/dbraw/zinc/62/46/03/584624603.db2.gz JMKKAEGPYCTZJQ-FXPVBKGRSA-N 2 0 220.320 1.114 20 0 BDADRP CC1(C)[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)[C@H]2CCCO[C@@H]21 ZINC000902485637 584625181 /nfs/dbraw/zinc/62/51/81/584625181.db2.gz LSULFODUTQZPEU-VEGXAWMVSA-N 2 0 238.375 1.517 20 0 BDADRP C[C@@H](N)[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902486953 584625863 /nfs/dbraw/zinc/62/58/63/584625863.db2.gz HYCHZFHYRJIMTJ-NGFQHRJXSA-N 2 0 247.386 1.272 20 0 BDADRP Cc1n[nH]cc1[C@@H](C)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902487653 584626530 /nfs/dbraw/zinc/62/65/30/584626530.db2.gz LJGGHLAHWAFDLJ-SZEHBUNVSA-N 2 0 208.309 1.106 20 0 BDADRP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cc2n(n1)CCC2 ZINC000902487687 584626911 /nfs/dbraw/zinc/62/69/11/584626911.db2.gz LWKCCFZXKVDCAE-DCAQKATOSA-N 2 0 234.347 1.217 20 0 BDADRP Cc1ncccc1CC[NH2+][C@H](C)C1C[NH2+]C1 ZINC000902514075 584629562 /nfs/dbraw/zinc/62/95/62/584629562.db2.gz PPWLENIONUFZRS-LLVKDONJSA-N 2 0 219.332 1.130 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C/C=C\Cl ZINC000902517485 584629819 /nfs/dbraw/zinc/62/98/19/584629819.db2.gz IIBFQQXOLXYGMA-USDMVXPLSA-N 2 0 202.729 1.846 20 0 BDADRP C[C@H]([NH2+][C@H](c1ccncc1)C1CC1)C1C[NH2+]C1 ZINC000902521684 584631793 /nfs/dbraw/zinc/63/17/93/584631793.db2.gz SQHAISOBHULSIB-HZMBPMFUSA-N 2 0 231.343 1.730 20 0 BDADRP CN1CC[C@](O)(C[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C1 ZINC000902953233 584704588 /nfs/dbraw/zinc/70/45/88/584704588.db2.gz BIPQVDZOTIZXQU-CRWXNKLISA-N 2 0 238.375 1.221 20 0 BDADRP CCOCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903071867 584726331 /nfs/dbraw/zinc/72/63/31/584726331.db2.gz FMIGOEANFGWUKI-QXMXGUDHSA-N 2 0 238.375 1.770 20 0 BDADRP CN1CC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903224159 584738057 /nfs/dbraw/zinc/73/80/57/584738057.db2.gz QTWSGJPLOPDBCM-FBAPMCOASA-N 2 0 249.402 1.438 20 0 BDADRP C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@@H]1C)C(C)(C)O ZINC000903391083 584756312 /nfs/dbraw/zinc/75/63/12/584756312.db2.gz QRYVNCGUEBXSKI-NHCYSSNCSA-N 2 0 226.364 1.218 20 0 BDADRP CC[NH2+]CC1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903425250 584760846 /nfs/dbraw/zinc/76/08/46/584760846.db2.gz YKXNSMCKESMTMQ-KGLIPLIRSA-N 3 0 239.407 1.435 20 0 BDADRP Cc1cc(C[N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)no1 ZINC000903430913 584761569 /nfs/dbraw/zinc/76/15/69/584761569.db2.gz IHNZPELUEBWYDT-MNOVXSKESA-N 2 0 223.320 1.542 20 0 BDADRP COCC[N@H+](C[C@@H]1C[NH2+]C[C@H]1C)C1CCCC1 ZINC000903435899 584762278 /nfs/dbraw/zinc/76/22/78/584762278.db2.gz ZUDMEACLMWJSMT-OLZOCXBDSA-N 2 0 240.391 1.733 20 0 BDADRP CC(C)CO[C@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903440739 584763232 /nfs/dbraw/zinc/76/32/32/584763232.db2.gz AYOJHNHWWRAVMC-RDBSUJKOSA-N 2 0 240.391 1.861 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@H+](C2CC2)C2CC[NH2+]CC2)C1 ZINC000903421650 584763821 /nfs/dbraw/zinc/76/38/21/584763821.db2.gz QBMARDBXBLIPDY-NWDGAFQWSA-N 3 0 237.391 1.330 20 0 BDADRP CC(C)[C@@H]([NH3+])CCN(C)C[C@H]1CCC[NH2+]1 ZINC000903424699 584764715 /nfs/dbraw/zinc/76/47/15/584764715.db2.gz BZBIKEBRFYGZJI-NEPJUHHUSA-N 2 0 213.369 1.044 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H]1C[NH3+] ZINC000903458835 584765948 /nfs/dbraw/zinc/76/59/48/584765948.db2.gz LIJZXANOKKIXBT-LPWJVIDDSA-N 3 0 225.380 1.031 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000903460811 584766508 /nfs/dbraw/zinc/76/65/08/584766508.db2.gz IRUQOLJOGODTEB-VWYCJHECSA-N 2 0 230.302 1.573 20 0 BDADRP C[C@@H](CO)[C@@H]1CCCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903464078 584767190 /nfs/dbraw/zinc/76/71/90/584767190.db2.gz YTUNUXHDOPTOQO-RFGFWPKPSA-N 2 0 240.391 1.325 20 0 BDADRP C([C@H]1CCC[NH2+]1)N1CC[C@]2(C1)CCCOC2 ZINC000903464150 584767300 /nfs/dbraw/zinc/76/73/00/584767300.db2.gz BFOKGTSJIHODJW-OLZOCXBDSA-N 2 0 224.348 1.241 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000903443416 584768450 /nfs/dbraw/zinc/76/84/50/584768450.db2.gz ATVKMSCMFCPEJL-YPMHNXCESA-N 2 0 248.374 1.445 20 0 BDADRP CC[N@@H+]1CC[C@@H](N(C)C[C@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000903444280 584769660 /nfs/dbraw/zinc/76/96/60/584769660.db2.gz RMRDDTQAAUVAHF-MGPQQGTHSA-N 2 0 239.407 1.401 20 0 BDADRP c1nnsc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000903447553 584770549 /nfs/dbraw/zinc/77/05/49/584770549.db2.gz XMZJEFPAAKVSLK-UHFFFAOYSA-N 2 0 238.360 1.114 20 0 BDADRP FC1(F)[C@@H]2C[C@@H](C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)C[C@@H]21 ZINC000903449854 584771456 /nfs/dbraw/zinc/77/14/56/584771456.db2.gz IUMQGFIVRULTOC-YZCVJGAOSA-N 2 0 242.313 1.429 20 0 BDADRP CC(C)[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCN1 ZINC000903450192 584772146 /nfs/dbraw/zinc/77/21/46/584772146.db2.gz PCMVQTATSQAYQO-FRRDWIJNSA-N 2 0 225.380 1.044 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903454886 584773313 /nfs/dbraw/zinc/77/33/13/584773313.db2.gz MJYIYUPWAHAABD-GRYCIOLGSA-N 3 0 225.380 1.092 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@H](c3ccccn3)C2)C1 ZINC000903454585 584773504 /nfs/dbraw/zinc/77/35/04/584773504.db2.gz CYPSNJQWLDYQTD-MELADBBJSA-N 2 0 245.370 1.998 20 0 BDADRP COC[C@@H](C[NH2+][C@H]1CC[NH2+]CC1(C)C)C(C)C ZINC000903455513 584774253 /nfs/dbraw/zinc/77/42/53/584774253.db2.gz XZALMHZTHDAJTJ-OLZOCXBDSA-N 2 0 242.407 1.883 20 0 BDADRP C(CC1CC[NH2+]CC1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903470278 584774663 /nfs/dbraw/zinc/77/46/63/584774663.db2.gz JODDAMCSWDAFAW-ZDUSSCGKSA-N 3 0 237.391 1.250 20 0 BDADRP CSCCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903471540 584775160 /nfs/dbraw/zinc/77/51/60/584775160.db2.gz SYBZEVRZBVJZDQ-SNVBAGLBSA-N 2 0 214.378 1.614 20 0 BDADRP CC(C)[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCN1C ZINC000903476521 584777384 /nfs/dbraw/zinc/77/73/84/584777384.db2.gz ZSNVRODFYRJYRU-HZSPNIEDSA-N 2 0 239.407 1.386 20 0 BDADRP C(C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1)OC1CC1 ZINC000903481688 584778204 /nfs/dbraw/zinc/77/82/04/584778204.db2.gz JVYCAFKAQUFAND-CQSZACIVSA-N 2 0 238.375 1.631 20 0 BDADRP C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1(CN)CCCCC1 ZINC000903482358 584778960 /nfs/dbraw/zinc/77/89/60/584778960.db2.gz DUIAYOLGTPSPEM-OLZOCXBDSA-N 2 0 239.407 1.707 20 0 BDADRP C(C[C@H]1CCCO1)[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903484425 584779592 /nfs/dbraw/zinc/77/95/92/584779592.db2.gz QYZHYECSVVYCTC-OLZOCXBDSA-N 2 0 238.375 1.820 20 0 BDADRP COCCCCC[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496861 584780941 /nfs/dbraw/zinc/78/09/41/584780941.db2.gz HXWVVNSUDDBNKJ-CHWSQXEVSA-N 2 0 228.380 1.720 20 0 BDADRP [NH3+]CCCN1C[C@H](C[NH3+])Cc2cc(F)ccc21 ZINC000903568170 584783522 /nfs/dbraw/zinc/78/35/22/584783522.db2.gz JNXFBWXBDKBXFZ-JTQLQIEISA-N 2 0 237.322 1.112 20 0 BDADRP C[C@@H]1CCCN(C[C@@H]2CCCC[NH2+]C2)[C@H]1C[NH3+] ZINC000903716683 584791652 /nfs/dbraw/zinc/79/16/52/584791652.db2.gz BRZQTGOSVQCACN-MCIONIFRSA-N 2 0 239.407 1.435 20 0 BDADRP CCC[NH+](CCC)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903716698 584791713 /nfs/dbraw/zinc/79/17/13/584791713.db2.gz BXVMRNPOBTXELZ-KGLIPLIRSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@](C[NH3+])(NC[C@H]1CCCC[NH2+]C1)C1CC1 ZINC000903717293 584792325 /nfs/dbraw/zinc/79/23/25/584792325.db2.gz MPCSUVIZFFUPQA-WCQYABFASA-N 2 0 225.380 1.093 20 0 BDADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903718505 584792390 /nfs/dbraw/zinc/79/23/90/584792390.db2.gz NZKKHWVNUBKFPV-HZSPNIEDSA-N 2 0 238.375 1.629 20 0 BDADRP C([C@H]1CC2(CO1)CC[NH2+]CC2)[NH+]1CCCC1 ZINC000903717362 584792542 /nfs/dbraw/zinc/79/25/42/584792542.db2.gz OYALEPRUSKPREX-GFCCVEGCSA-N 2 0 224.348 1.241 20 0 BDADRP C[N@H+](C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CCC1 ZINC000903730069 584792957 /nfs/dbraw/zinc/79/29/57/584792957.db2.gz TXZPATWJVCBICZ-CHWSQXEVSA-N 2 0 224.348 1.239 20 0 BDADRP C[C@@]1(C[NH3+])CCN(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903745867 584794282 /nfs/dbraw/zinc/79/42/82/584794282.db2.gz AQYNJHKUJDBVHV-OLZOCXBDSA-N 2 0 225.380 1.047 20 0 BDADRP C[N@H+](CCOC1CCSCC1)C1CC([NH3+])C1 ZINC000903749671 584794843 /nfs/dbraw/zinc/79/48/43/584794843.db2.gz OESFHJZLSNGKGH-UHFFFAOYSA-N 2 0 244.404 1.320 20 0 BDADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC[C@H]1CCCC[NH2+]C1 ZINC000903751620 584795227 /nfs/dbraw/zinc/79/52/27/584795227.db2.gz HQHSZIMISZZWRT-MQYQWHSLSA-N 2 0 239.407 1.352 20 0 BDADRP CC1CC(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)C1 ZINC000903761587 584797279 /nfs/dbraw/zinc/79/72/79/584797279.db2.gz WUKAGLPOAVZZBD-MVKMKZAISA-N 2 0 210.365 1.949 20 0 BDADRP C([C@H]1CCCC[NH2+]C1)N1CCC2(CC[NH2+]2)CC1 ZINC000903760710 584797370 /nfs/dbraw/zinc/79/73/70/584797370.db2.gz KKEMJIHJCZCHNT-ZDUSSCGKSA-N 2 0 237.391 1.204 20 0 BDADRP OCC1([NH2+]C[C@H]2CCCC[NH2+]C2)CCCC1 ZINC000903764520 584797647 /nfs/dbraw/zinc/79/76/47/584797647.db2.gz UBSKMXVZVIBYNE-LBPRGKRZSA-N 2 0 226.364 1.271 20 0 BDADRP C[N@H+](CCOCC[NH3+])Cc1ccccc1CF ZINC000903769866 584798105 /nfs/dbraw/zinc/79/81/05/584798105.db2.gz QIAJHXMQYWMVBU-UHFFFAOYSA-N 2 0 240.322 1.563 20 0 BDADRP [NH3+][C@@H]1CCCCCN(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903776909 584798970 /nfs/dbraw/zinc/79/89/70/584798970.db2.gz YBBRTHSTTIUXHN-ZIAGYGMSSA-N 2 0 239.407 1.579 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903805032 584802942 /nfs/dbraw/zinc/80/29/42/584802942.db2.gz LESJDKJHNXMTIX-XJFOESAGSA-N 2 0 237.391 1.045 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903805033 584803042 /nfs/dbraw/zinc/80/30/42/584803042.db2.gz LESJDKJHNXMTIX-ZOBORPQBSA-N 2 0 237.391 1.045 20 0 BDADRP CC(C)CC[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903812923 584803529 /nfs/dbraw/zinc/80/35/29/584803529.db2.gz BEYKFHMPIGBSLR-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP C([C@H]1CC[NH2+]C1)[N@@H+]1CCCSC[C@@H]1C1CC1 ZINC000903825961 584804407 /nfs/dbraw/zinc/80/44/07/584804407.db2.gz GFRCQFQMPJOGHP-WCQYABFASA-N 2 0 240.416 1.813 20 0 BDADRP C[C@]12C[N@H+](C[C@@H]3CC[NH2+]C3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000903827482 584804968 /nfs/dbraw/zinc/80/49/68/584804968.db2.gz UIDSJXUTWQRYOC-QKGCVVFFSA-N 2 0 232.371 1.740 20 0 BDADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H](O)c1ccccc1)C2 ZINC000903838596 584806519 /nfs/dbraw/zinc/80/65/19/584806519.db2.gz DGKJPJQHVPUUET-PMOUVXMZSA-N 2 0 246.354 1.532 20 0 BDADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCCCCO)C2 ZINC000903845258 584807702 /nfs/dbraw/zinc/80/77/02/584807702.db2.gz GETFORMYACUBIA-XQQFMLRXSA-N 2 0 226.364 1.351 20 0 BDADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000903843354 584807784 /nfs/dbraw/zinc/80/77/84/584807784.db2.gz JHKZCCAJYBOERI-FQUUOJAGSA-N 3 0 237.391 1.188 20 0 BDADRP NC[C@]12CC[C@H]1CC[N@@H+]2CCC1CC[NH2+]CC1 ZINC000903854128 584809221 /nfs/dbraw/zinc/80/92/21/584809221.db2.gz IDILPSJETCNEKE-UONOGXRCSA-N 2 0 237.391 1.189 20 0 BDADRP C[C@]12CSC[C@H]1C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C2 ZINC000903870035 584814436 /nfs/dbraw/zinc/81/44/36/584814436.db2.gz COYHISNKCQOUDF-NDBYEHHHSA-N 2 0 240.416 1.799 20 0 BDADRP C[NH2+]CCC[N@@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000903870393 584814844 /nfs/dbraw/zinc/81/48/44/584814844.db2.gz FMFGDKHSTVNTLD-MNOVXSKESA-N 2 0 214.378 1.281 20 0 BDADRP CCCC[N@H+](CCO)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903872561 584815319 /nfs/dbraw/zinc/81/53/19/584815319.db2.gz HFYDVTULMOYXAH-AGUYFDCRSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903872732 584815342 /nfs/dbraw/zinc/81/53/42/584815342.db2.gz AYNBZVPKVQCFFW-KZWUZSNJSA-N 3 0 237.391 1.186 20 0 BDADRP CC(C)[N@@H+]1CCCN(C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903872837 584815613 /nfs/dbraw/zinc/81/56/13/584815613.db2.gz JYOJJALPHASCMH-NSHDSACASA-N 2 0 249.349 1.385 20 0 BDADRP CC[N@H+](CCO)Cc1cccc2c1CC[NH2+]C2 ZINC000903873566 584815802 /nfs/dbraw/zinc/81/58/02/584815802.db2.gz SMVFHYSVOHNEBU-UHFFFAOYSA-N 2 0 234.343 1.147 20 0 BDADRP C[C@@H](O)C[N@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000903903778 584821304 /nfs/dbraw/zinc/82/13/04/584821304.db2.gz NBQZBFAWEIDFME-LLVKDONJSA-N 2 0 234.343 1.145 20 0 BDADRP C[C@]1(CO)CCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903908670 584821508 /nfs/dbraw/zinc/82/15/08/584821508.db2.gz NJUHAVCQFXYKMT-WTUNAVPPSA-N 2 0 238.375 1.364 20 0 BDADRP C[C@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1CO ZINC000903908723 584822009 /nfs/dbraw/zinc/82/20/09/584822009.db2.gz OVWOGFBSJBXENW-APYLGABCSA-N 2 0 238.375 1.220 20 0 BDADRP C[C@@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@H]1O ZINC000903909297 584822052 /nfs/dbraw/zinc/82/20/52/584822052.db2.gz SVNLAMKSCBTAMS-RKFYDKJMSA-N 2 0 238.375 1.220 20 0 BDADRP [NH3+][C@H](C[NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)CC(F)F ZINC000903920237 584822887 /nfs/dbraw/zinc/82/28/87/584822887.db2.gz HOZNDOGJWCHHTH-LNFKQOIKSA-N 2 0 248.317 1.516 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+]CCC(C)(C)[NH3+])CCO1 ZINC000903939183 584823114 /nfs/dbraw/zinc/82/31/14/584823114.db2.gz SXZKUJBQOHUALU-VXGBXAGGSA-N 2 0 228.380 1.909 20 0 BDADRP [NH3+][C@H](CN[C@@H]1CC[NH2+]C2(CCC2)C1)CC(F)F ZINC000903918850 584823174 /nfs/dbraw/zinc/82/31/74/584823174.db2.gz JFPAZCHXWZUXDQ-VHSXEESVSA-N 2 0 247.333 1.233 20 0 BDADRP C[C@H]([NH3+])[C@H](C)NCc1cccc2c1CC[NH2+]C2 ZINC000903920514 584823232 /nfs/dbraw/zinc/82/32/32/584823232.db2.gz VMCQAJIKTUZYLX-QWRGUYRKSA-N 2 0 233.359 1.158 20 0 BDADRP [NH3+][C@@H](CN[C@@H]1CC[NH2+]C2(CCC2)C1)CC(F)F ZINC000903918848 584823284 /nfs/dbraw/zinc/82/32/84/584823284.db2.gz JFPAZCHXWZUXDQ-NXEZZACHSA-N 2 0 247.333 1.233 20 0 BDADRP CC(C)n1cc(C[NH2+]CCC(C)(C)[NH3+])cn1 ZINC000903939201 584823579 /nfs/dbraw/zinc/82/35/79/584823579.db2.gz VFEZYEBQPPFXHZ-UHFFFAOYSA-N 2 0 224.352 1.681 20 0 BDADRP C([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCOCC1 ZINC000903926033 584823741 /nfs/dbraw/zinc/82/37/41/584823741.db2.gz RNZXGMKNHGEMIF-AGUYFDCRSA-N 2 0 238.375 1.533 20 0 BDADRP CC(C)([NH3+])CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000903939277 584823922 /nfs/dbraw/zinc/82/39/22/584823922.db2.gz FGFVBAYEYZUQFY-YNEHKIRRSA-N 2 0 239.407 1.624 20 0 BDADRP CCn1nccc1C[NH2+]CCC(C)(C)[NH3+] ZINC000903939381 584823924 /nfs/dbraw/zinc/82/39/24/584823924.db2.gz YXTCUNHPUDIUGZ-UHFFFAOYSA-N 2 0 210.325 1.120 20 0 BDADRP FC[C@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000903929462 584824185 /nfs/dbraw/zinc/82/41/85/584824185.db2.gz GGGYHSDQHCAYDF-WVMKXHBISA-N 2 0 242.338 1.187 20 0 BDADRP CC(C)C[C@H](CN)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918303 584826957 /nfs/dbraw/zinc/82/69/57/584826957.db2.gz WMHRJUHGRLSHFN-WTUNAVPPSA-N 2 0 239.407 1.480 20 0 BDADRP C(N1CCCC[C@]2(CC[NH2+]C2)C1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000903959895 584827891 /nfs/dbraw/zinc/82/78/91/584827891.db2.gz RKQSKJRFNUYNDO-KFWWJZLASA-N 2 0 249.402 1.062 20 0 BDADRP CC[N@@H+]1CC[C@H](NCCC(C)(C)[NH3+])[C@H](C)C1 ZINC000903939855 584828984 /nfs/dbraw/zinc/82/89/84/584828984.db2.gz PBGKLCBLCPDMDA-NEPJUHHUSA-N 2 0 227.396 1.434 20 0 BDADRP CCC1([NH3+])CCN([C@H]2C[NH2+]C[C@H](C)C2)CC1 ZINC000903947991 584829632 /nfs/dbraw/zinc/82/96/32/584829632.db2.gz KFWAXCZHRACIAY-VXGBXAGGSA-N 2 0 225.380 1.188 20 0 BDADRP CCC1([NH3+])CC[NH+](C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000903947997 584830002 /nfs/dbraw/zinc/83/00/02/584830002.db2.gz KKLZWIDHQXNOQL-OLZOCXBDSA-N 3 0 239.407 1.578 20 0 BDADRP CCC1([NH3+])CCN(CC[NH2+]C(C)(C)C)CC1 ZINC000903949153 584830124 /nfs/dbraw/zinc/83/01/24/584830124.db2.gz ZHTYKCLVUWKXKG-UHFFFAOYSA-N 2 0 227.396 1.578 20 0 BDADRP CC[N@@H+]1CC[C@H](NCc2cc(N)cc[nH+]2)[C@@H](C)C1 ZINC000903950163 584831160 /nfs/dbraw/zinc/83/11/60/584831160.db2.gz JBYQWMVQHAAIFU-FZMZJTMJSA-N 2 0 248.374 1.484 20 0 BDADRP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]C[C@@H]1CCCOC1 ZINC000903954240 584832013 /nfs/dbraw/zinc/83/20/13/584832013.db2.gz AZPUBKCKBPYWAH-WDEREUQCSA-N 2 0 248.317 1.247 20 0 BDADRP CC(C)[C@H](C[NH3+])CNC[C@H]1C[NH2+]CCC1(F)F ZINC000903956358 584832267 /nfs/dbraw/zinc/83/22/67/584832267.db2.gz KAGWQTRJFQFIOW-GHMZBOCLSA-N 2 0 249.349 1.052 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccnc1 ZINC000903964284 584834191 /nfs/dbraw/zinc/83/41/91/584834191.db2.gz HSMGNCDSUVAOIK-PWSUYJOCSA-N 2 0 205.305 1.027 20 0 BDADRP CC(C)[C@H]1C[C@@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000903966747 584834477 /nfs/dbraw/zinc/83/44/77/584834477.db2.gz AWTOWWIGJDEELS-ZOBORPQBSA-N 2 0 240.391 1.635 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCc2ccccc2C1 ZINC000903968680 584835094 /nfs/dbraw/zinc/83/50/94/584835094.db2.gz YIBBRZRDEYREIL-KCXAZCMYSA-N 2 0 244.382 1.989 20 0 BDADRP CC[N@@H+]1CC[C@H](NC[C@@H]2C[NH2+]C[C@H]2C)[C@@H](C)C1 ZINC000903967126 584835139 /nfs/dbraw/zinc/83/51/39/584835139.db2.gz HMOONSDVPNVLFM-RFGFWPKPSA-N 2 0 239.407 1.162 20 0 BDADRP CC1([NH+]2CCCC2)CCC([NH2+]CCC[NH3+])CC1 ZINC000903986968 584835630 /nfs/dbraw/zinc/83/56/30/584835630.db2.gz VLCLDTYXOMGNOF-UHFFFAOYSA-N 3 0 239.407 1.722 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC000904299705 584860508 /nfs/dbraw/zinc/86/05/08/584860508.db2.gz MDDHFADAUOGDAY-DOMZBBRYSA-N 3 0 247.386 1.705 20 0 BDADRP C[C@@H]1CN(C[C@H]([NH3+])CCC(C)(C)C)CC[NH2+]1 ZINC000904299517 584860929 /nfs/dbraw/zinc/86/09/29/584860929.db2.gz GKHWETXXFWJMEC-VXGBXAGGSA-N 2 0 227.396 1.434 20 0 BDADRP C[NH2+]CCC1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904301350 584861041 /nfs/dbraw/zinc/86/10/41/584861041.db2.gz KZXMLXLESKEZOP-BETUJISGSA-N 3 0 225.380 1.045 20 0 BDADRP C[C@]1(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCC[NH2+]C1 ZINC000904301151 584861074 /nfs/dbraw/zinc/86/10/74/584861074.db2.gz HUCGCOIYUQYJTP-RDBSUJKOSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@@]1(CN2CCC[C@@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000904300125 584861116 /nfs/dbraw/zinc/86/11/16/584861116.db2.gz WRJSPMVSOKSAIN-QWHCGFSZSA-N 2 0 225.380 1.047 20 0 BDADRP CC[C@@H]1CN(C[C@]2(C)CCC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000904301089 584861190 /nfs/dbraw/zinc/86/11/90/584861190.db2.gz GKMKHYDNQMREJE-HZSPNIEDSA-N 3 0 239.407 1.435 20 0 BDADRP CN(CC(C)(C)C[NH3+])C[C@]1(C)CCC[NH2+]C1 ZINC000904301688 584861314 /nfs/dbraw/zinc/86/13/14/584861314.db2.gz PAYJJZLFCQLPHD-CYBMUJFWSA-N 2 0 227.396 1.293 20 0 BDADRP C[C@@]1(C[N@@H+]2CCC[C@H](CO)C2)CCC[NH2+]C1 ZINC000904301554 584861405 /nfs/dbraw/zinc/86/14/05/584861405.db2.gz NRRORSCUCNEWEZ-QWHCGFSZSA-N 2 0 226.364 1.080 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000904300250 584861477 /nfs/dbraw/zinc/86/14/77/584861477.db2.gz ZXEAVYRDKBBRQT-KWCYVHTRSA-N 3 0 237.391 1.188 20 0 BDADRP C[C@]1(C[NH+]2CCC(CCO)CC2)CCC[NH2+]C1 ZINC000904307274 584863057 /nfs/dbraw/zinc/86/30/57/584863057.db2.gz OBEINANEGUELLI-AWEZNQCLSA-N 2 0 240.391 1.471 20 0 BDADRP CC(C)COC1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904312676 584863250 /nfs/dbraw/zinc/86/32/50/584863250.db2.gz MZUVXWORDRKDFX-BETUJISGSA-N 2 0 240.391 1.861 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])C[NH2+]C1(CO)CCC1 ZINC000904328455 584865395 /nfs/dbraw/zinc/86/53/95/584865395.db2.gz FARQWHWIHRMSSY-NSHDSACASA-N 2 0 228.380 1.645 20 0 BDADRP CC1([NH2+]C[C@H]2C[C@@H]([NH3+])C2)Cc2ccccc2C1 ZINC000904329161 584865882 /nfs/dbraw/zinc/86/58/82/584865882.db2.gz LOGLMDVFORJDBD-VDISTLRHSA-N 2 0 230.355 1.871 20 0 BDADRP C[C@@]1(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)CCC[NH2+]C1 ZINC000904334187 584866638 /nfs/dbraw/zinc/86/66/38/584866638.db2.gz OOFHKDZYDGYAPC-HZSPNIEDSA-N 2 0 237.391 1.202 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000904334118 584866654 /nfs/dbraw/zinc/86/66/54/584866654.db2.gz MIIBQSLEUKJFBT-FRRDWIJNSA-N 2 0 239.407 1.291 20 0 BDADRP C[C@]1(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)CCC[NH2+]C1 ZINC000904334434 584866892 /nfs/dbraw/zinc/86/68/92/584866892.db2.gz WBDWGZHTTCGEIF-KBPBESRZSA-N 3 0 239.407 1.437 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@@H](OCC3CC3)C2)C1 ZINC000904341566 584867040 /nfs/dbraw/zinc/86/70/40/584867040.db2.gz PKWXPHQQSYHCGL-HZSPNIEDSA-N 2 0 238.375 1.615 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC(c3c[nH]cn3)CC2)C1 ZINC000904341715 584867143 /nfs/dbraw/zinc/86/71/43/584867143.db2.gz UMTAIZOKJUKVOQ-KLPPZKSPSA-N 2 0 234.347 1.326 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1C ZINC000904340917 584867299 /nfs/dbraw/zinc/86/72/99/584867299.db2.gz NVXSRQIGLXFUIF-MQYQWHSLSA-N 3 0 239.407 1.528 20 0 BDADRP C[C@@H]1CC2(CCC2)C[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904347190 584868354 /nfs/dbraw/zinc/86/83/54/584868354.db2.gz DZGJEZOCSRSWMR-UTUOFQBUSA-N 2 0 208.349 1.988 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000904350092 584868890 /nfs/dbraw/zinc/86/88/90/584868890.db2.gz HUKVUCIMMRPUAB-AGIUHOORSA-N 2 0 239.407 1.434 20 0 BDADRP COC(=O)[C@@H](C)[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CCC1 ZINC000904348775 584868956 /nfs/dbraw/zinc/86/89/56/584868956.db2.gz VEHYLPKVUMIIGO-MXWKQRLJSA-N 2 0 240.347 1.140 20 0 BDADRP CC(C)[C@H]([NH3+])CNCc1ccc(C[NH3+])cc1 ZINC000904350050 584869166 /nfs/dbraw/zinc/86/91/66/584869166.db2.gz GKUHKGWMPAHHPN-CYBMUJFWSA-N 2 0 221.348 1.218 20 0 BDADRP C[C@]1(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)CCC[NH2+]C1 ZINC000904350849 584869472 /nfs/dbraw/zinc/86/94/72/584869472.db2.gz QPCGHPRCNWZOQN-IHRRRGAJSA-N 2 0 237.391 1.060 20 0 BDADRP [NH3+]CCC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)CC1CCCC1 ZINC000904351470 584869585 /nfs/dbraw/zinc/86/95/85/584869585.db2.gz ZEZZSMYFHIHKCE-OKILXGFUSA-N 3 0 239.407 1.565 20 0 BDADRP CC[NH2+]Cc1ccccc1NC[C@H]1C[C@@H]([NH3+])C1 ZINC000904352841 584869763 /nfs/dbraw/zinc/86/97/63/584869763.db2.gz DFAPHBFKBAENCB-BJHJDKERSA-N 2 0 233.359 1.945 20 0 BDADRP C[C@H](NCc1nccn1C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000904353392 584870067 /nfs/dbraw/zinc/87/00/67/584870067.db2.gz LLFRXQIMYRYXAB-NWDGAFQWSA-N 2 0 248.374 1.696 20 0 BDADRP C[NH2+]Cc1cccc(NC2CC(C[NH3+])C2)c1 ZINC000904354051 584870240 /nfs/dbraw/zinc/87/02/40/584870240.db2.gz VDVSVHHQFCAENN-UHFFFAOYSA-N 2 0 219.332 1.555 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000904354850 584870616 /nfs/dbraw/zinc/87/06/16/584870616.db2.gz JTCDUNRFUXVCLP-FRRDWIJNSA-N 3 0 241.423 1.857 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000904355377 584870741 /nfs/dbraw/zinc/87/07/41/584870741.db2.gz QVOQGNXOOUOYPF-CQSZACIVSA-N 3 0 245.370 1.377 20 0 BDADRP C[C@]1(CNC[C@]2(C)CCC[NH2+]C2)CCC[NH2+]C1 ZINC000904355171 584870757 /nfs/dbraw/zinc/87/07/57/584870757.db2.gz LFULMUGOMSTYBL-OKILXGFUSA-N 2 0 239.407 1.355 20 0 BDADRP C[C@@H](CC[NH3+])NC[C@H]([NH3+])CCC(C)(C)C ZINC000904355392 584870771 /nfs/dbraw/zinc/87/07/71/584870771.db2.gz NAIOREJYPIRSIJ-WDEREUQCSA-N 2 0 215.385 1.467 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+]Cc2ccc3c(c2)CCCN3)C1 ZINC000904355303 584870981 /nfs/dbraw/zinc/87/09/81/584870981.db2.gz PVDXPWDQBSAWNM-XBXGTLAGSA-N 2 0 245.370 1.872 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1NC[C@@H]([NH3+])CCC(C)(C)C ZINC000904355738 584871096 /nfs/dbraw/zinc/87/10/96/584871096.db2.gz RAKMXRDGJRTCJK-AGIUHOORSA-N 2 0 241.423 1.728 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904355472 584871151 /nfs/dbraw/zinc/87/11/51/584871151.db2.gz ODQFXRSJFKURAQ-BXUZGUMPSA-N 3 0 233.359 1.233 20 0 BDADRP C[C@@H]1C[C@H](NC[C@@H]([NH3+])CCC(C)(C)C)CC[NH2+]1 ZINC000904355578 584871270 /nfs/dbraw/zinc/87/12/70/584871270.db2.gz PGJOLVOVAWHGRS-FRRDWIJNSA-N 2 0 241.423 1.870 20 0 BDADRP [NH3+]CC1CC([NH2+][C@@H]2COc3ccccc3C2)C1 ZINC000904362189 584871975 /nfs/dbraw/zinc/87/19/75/584871975.db2.gz HYHWCEVCFGDZAI-GDKBPFBDSA-N 2 0 232.327 1.317 20 0 BDADRP C[C@H](CO)[N@H+](CC1CCC1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904367636 584872605 /nfs/dbraw/zinc/87/26/05/584872605.db2.gz BBRMXRROUAESHF-RTXFEEFZSA-N 2 0 226.364 1.207 20 0 BDADRP C[C@]1(CN2CC[C@@]3(CCC[NH2+]3)C2)CCC[NH2+]C1 ZINC000904373984 584873691 /nfs/dbraw/zinc/87/36/91/584873691.db2.gz XALXBOQQPNNFKV-KBPBESRZSA-N 2 0 237.391 1.204 20 0 BDADRP CCc1nc(C[NH2+]C2CC(C[NH3+])C2)cs1 ZINC000904363757 584874201 /nfs/dbraw/zinc/87/42/01/584874201.db2.gz BYSFURVXMWFING-UHFFFAOYSA-N 2 0 225.361 1.532 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+]CCn2cnc3ccccc32)C1 ZINC000904364392 584874213 /nfs/dbraw/zinc/87/42/13/584874213.db2.gz WYQNDHIQRVAJID-TXEJJXNPSA-N 2 0 244.342 1.363 20 0 BDADRP C[C@@H](O)C[NH2+]C[C@@H]([NH3+])CCC(C)(C)C ZINC000904363419 584874327 /nfs/dbraw/zinc/87/43/27/584874327.db2.gz FGYNSFGNPFEDQM-ZJUUUORDSA-N 2 0 202.342 1.110 20 0 BDADRP Cc1cc(C[NH2+]C2CC(C[NH3+])C2)ccc1F ZINC000904364485 584874376 /nfs/dbraw/zinc/87/43/76/584874376.db2.gz XSVDDBBAOWDIIG-UHFFFAOYSA-N 2 0 222.307 1.961 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1NC[C@H]([NH3+])CCC(C)(C)C ZINC000904389430 584875261 /nfs/dbraw/zinc/87/52/61/584875261.db2.gz XVSOOSLTJWVQTG-IJLUTSLNSA-N 2 0 227.396 1.338 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CCN1C[C@H]([NH3+])CCC(C)(C)C ZINC000904375851 584875530 /nfs/dbraw/zinc/87/55/30/584875530.db2.gz HWYKBXPVIATTFO-FRRDWIJNSA-N 2 0 241.423 1.952 20 0 BDADRP C[C@@H](CO)C1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904376915 584875832 /nfs/dbraw/zinc/87/58/32/584875832.db2.gz YTOWZOVQTRYRIC-GMXVVIOVSA-N 2 0 226.364 1.064 20 0 BDADRP C[C@H](C[NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccccn1 ZINC000904377360 584876063 /nfs/dbraw/zinc/87/60/63/584876063.db2.gz OUIJWRHDLRSKEL-UTUOFQBUSA-N 2 0 219.332 1.512 20 0 BDADRP C[C@H](O)C[N@H+](C[C@]1(C)CCC[NH2+]C1)C1CC1 ZINC000904377060 584876296 /nfs/dbraw/zinc/87/62/96/584876296.db2.gz IRLUNJCKGGVWOV-WCQYABFASA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H]([NH3+])CN(C)C[C@@H]([NH3+])CCC(C)(C)C ZINC000904380834 584876731 /nfs/dbraw/zinc/87/67/31/584876731.db2.gz HWRGIFCEVOPSKJ-MNOVXSKESA-N 2 0 215.385 1.419 20 0 BDADRP C[C@]1(CN2C[C@@H]3CCC[C@@]3([NH3+])C2)CCC[NH2+]C1 ZINC000904380884 584876874 /nfs/dbraw/zinc/87/68/74/584876874.db2.gz PBTBENQOPNPTNW-MELADBBJSA-N 2 0 237.391 1.189 20 0 BDADRP C[C@@H]1CC[C@H](NCc2ccc(C[NH3+])cc2)C[NH2+]1 ZINC000904381155 584876900 /nfs/dbraw/zinc/87/69/00/584876900.db2.gz KXMJTJNLTMMHKR-RISCZKNCSA-N 2 0 233.359 1.375 20 0 BDADRP [NH3+]CC1CC(Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C1 ZINC000904384440 584877147 /nfs/dbraw/zinc/87/71/47/584877147.db2.gz KMHZUAYYSUPNTB-KZKARCIVSA-N 2 0 231.343 1.650 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CN1C[C@H]([NH3+])C(C)(C)C1 ZINC000904388070 584878022 /nfs/dbraw/zinc/87/80/22/584878022.db2.gz BBSSSHYNKTZLHL-NEPJUHHUSA-N 2 0 241.423 1.809 20 0 BDADRP COC(=O)C(C)(C)CC[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904405039 584878344 /nfs/dbraw/zinc/87/83/44/584878344.db2.gz HLGDNAKRLXWZID-LLVKDONJSA-N 2 0 242.363 1.246 20 0 BDADRP [NH3+][C@]1(CO)CCCN(Cc2cccs2)C1 ZINC000904400443 584878360 /nfs/dbraw/zinc/87/83/60/584878360.db2.gz HHALEYILBZZOOE-LLVKDONJSA-N 2 0 226.345 1.034 20 0 BDADRP Cn1ccc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)c1 ZINC000904407092 584878414 /nfs/dbraw/zinc/87/84/14/584878414.db2.gz NFZDDIYYZJNECI-LLVKDONJSA-N 2 0 207.321 1.196 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cnc3ccccn23)C1 ZINC000904405593 584878416 /nfs/dbraw/zinc/87/84/16/584878416.db2.gz KCYPWRGABWZHMH-GFCCVEGCSA-N 2 0 244.342 1.505 20 0 BDADRP [NH3+][C@@]1(CO)CCCN(Cc2cccs2)C1 ZINC000904400444 584878717 /nfs/dbraw/zinc/87/87/17/584878717.db2.gz HHALEYILBZZOOE-NSHDSACASA-N 2 0 226.345 1.034 20 0 BDADRP CC(C)C[C@H](N)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000904409702 584879309 /nfs/dbraw/zinc/87/93/09/584879309.db2.gz GQOCQHCGJLMQHP-AVGNSLFASA-N 2 0 227.396 1.277 20 0 BDADRP CCn1nccc1C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000904412342 584879540 /nfs/dbraw/zinc/87/95/40/584879540.db2.gz SXMCVYKXBHSPFP-VXGBXAGGSA-N 2 0 236.363 1.320 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cncs2)CC[C@H]1C[NH3+] ZINC000904412571 584879702 /nfs/dbraw/zinc/87/97/02/584879702.db2.gz WMYBOELXWBZKAJ-ZJUUUORDSA-N 2 0 225.361 1.560 20 0 BDADRP C[C@H]1C[N@H+](Cc2cncs2)CC[C@H]1C[NH3+] ZINC000904412569 584879776 /nfs/dbraw/zinc/87/97/76/584879776.db2.gz WMYBOELXWBZKAJ-UWVGGRQHSA-N 2 0 225.361 1.560 20 0 BDADRP CCn1cc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cn1 ZINC000904411089 584879782 /nfs/dbraw/zinc/87/97/82/584879782.db2.gz JYDYSCQYVGDWFK-WCQYABFASA-N 2 0 236.363 1.320 20 0 BDADRP C[C@H](CCO)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000840810131 585048889 /nfs/dbraw/zinc/04/88/89/585048889.db2.gz QIVCZJHYZGMNOD-NEPJUHHUSA-N 2 0 214.353 1.079 20 0 BDADRP Cc1cc(N2CCC[C@H]([NH+](C)C)CC2)nc(N)[nH+]1 ZINC000758211828 585351803 /nfs/dbraw/zinc/35/18/03/585351803.db2.gz SXMSLZINGVEAPL-NSHDSACASA-N 2 0 249.362 1.288 20 0 BDADRP C[NH+](C)[C@@H]1CCCN(CC[NH+]2CCCC2)CC1 ZINC000759975179 585383492 /nfs/dbraw/zinc/38/34/92/585383492.db2.gz HKNRLUAOYLYDOD-CQSZACIVSA-N 2 0 239.407 1.498 20 0 BDADRP O=C(CC[N@@H+]1CCC[C@H](c2ncc[nH]2)C1)C1CC1 ZINC000767429207 585519947 /nfs/dbraw/zinc/51/99/47/585519947.db2.gz MDXOCBZKKWPXAT-LBPRGKRZSA-N 2 0 247.342 1.958 20 0 BDADRP C[C@H]1CN(CC[C@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC000767586330 585522832 /nfs/dbraw/zinc/52/28/32/585522832.db2.gz GAHHHCYYVCZVJV-QWHCGFSZSA-N 2 0 225.380 1.107 20 0 BDADRP O[C@H](C[NH2+]C1CC(C(F)F)C1)C[NH+]1CCCC1 ZINC000768686693 585541939 /nfs/dbraw/zinc/54/19/39/585541939.db2.gz IULYBWHFYXTIMV-VQXHTEKXSA-N 2 0 248.317 1.076 20 0 BDADRP O[C@@H](CN1CCCC1)C[N@@H+]1CCCC12CCC2 ZINC000769984067 585568660 /nfs/dbraw/zinc/56/86/60/585568660.db2.gz KFFPAUPXGHLWDL-ZDUSSCGKSA-N 2 0 238.375 1.462 20 0 BDADRP C[C@@H](C[NH2+][C@@H](C)CCO)C[NH+]1CCCCC1 ZINC000779393288 585753203 /nfs/dbraw/zinc/75/32/03/585753203.db2.gz RDPZRCHTMZVALF-STQMWFEESA-N 2 0 228.380 1.469 20 0 BDADRP c1ccc2c(c1)CC[C@H]2C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000780284996 585776899 /nfs/dbraw/zinc/77/68/99/585776899.db2.gz HBAFOMPKTKAWJC-SOUVJXGZSA-N 2 0 242.366 1.868 20 0 BDADRP C[C@@H]1CC[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000783240775 585831912 /nfs/dbraw/zinc/83/19/12/585831912.db2.gz QPLWXLZKIJGBBG-RDBSUJKOSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)CC(C)(C)O1 ZINC000788478853 585925456 /nfs/dbraw/zinc/92/54/56/585925456.db2.gz KCPJGVIFLSKGMC-GFCCVEGCSA-N 2 0 240.391 1.828 20 0 BDADRP CC[C@@H](C(=O)OCCC[NH+](C)C)[NH+](CC)CC ZINC000791937547 585992087 /nfs/dbraw/zinc/99/20/87/585992087.db2.gz GUKVKLAGYFZSPO-LBPRGKRZSA-N 2 0 244.379 1.602 20 0 BDADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)CC[NH+](C)C)C1 ZINC000792199322 585997542 /nfs/dbraw/zinc/99/75/42/585997542.db2.gz DFTSVFIAAKJZDX-UTUOFQBUSA-N 2 0 242.363 1.258 20 0 BDADRP CC[C@H](O)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799325058 586172099 /nfs/dbraw/zinc/17/20/99/586172099.db2.gz WXVQZLYBIHNSEN-ZDUSSCGKSA-N 2 0 240.391 1.565 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@H]1CSCCS1 ZINC000817898555 586831423 /nfs/dbraw/zinc/83/14/23/586831423.db2.gz ISNKCBAHHVABKB-IVZWLZJFSA-N 2 0 232.418 1.304 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1COc2ccccc2C1)C1C[NH2+]C1 ZINC000817891661 586832796 /nfs/dbraw/zinc/83/27/96/586832796.db2.gz NATXNODSAKICPJ-NEPJUHHUSA-N 2 0 246.354 1.435 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1COc2ccccc2C1)C1C[NH2+]C1 ZINC000817891662 586833434 /nfs/dbraw/zinc/83/34/34/586833434.db2.gz NATXNODSAKICPJ-NWDGAFQWSA-N 2 0 246.354 1.435 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCc1ccc(Cl)nc1 ZINC000817902300 586836372 /nfs/dbraw/zinc/83/63/72/586836372.db2.gz MUMQQADOZOMEAO-ZJUUUORDSA-N 2 0 241.766 1.993 20 0 BDADRP CC(C)C[C@H](O)C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000817905127 586836857 /nfs/dbraw/zinc/83/68/57/586836857.db2.gz BLBQBPHBYIMWIB-XQQFMLRXSA-N 2 0 228.380 1.643 20 0 BDADRP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000817904548 586837535 /nfs/dbraw/zinc/83/75/35/586837535.db2.gz CQXKHLJDBZJSDD-NGFQHRJXSA-N 2 0 248.370 1.968 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@]1(O)CCc2ccccc21 ZINC000817916167 586839408 /nfs/dbraw/zinc/83/94/08/586839408.db2.gz AOHBZBWOKUJDIZ-YWPYICTPSA-N 2 0 248.370 1.536 20 0 BDADRP CC1(CC[NH2+][C@H]2CCCCC[C@@H]2[NH3+])OCCO1 ZINC000817922897 586840124 /nfs/dbraw/zinc/84/01/24/586840124.db2.gz OCRKEYYIBKWEPR-RYUDHWBXSA-N 2 0 242.363 1.389 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@H]1CCC=CO1 ZINC000817924717 586841467 /nfs/dbraw/zinc/84/14/67/586841467.db2.gz VGVGKNHYVAFIOT-UPJWGTAASA-N 2 0 224.348 1.929 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000817962192 586852263 /nfs/dbraw/zinc/85/22/63/586852263.db2.gz IJCWXLFVRIMWDF-IUCAKERBSA-N 2 0 227.739 1.980 20 0 BDADRP C[C@@H](CSC(C)(C)C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000817976087 586860175 /nfs/dbraw/zinc/86/01/75/586860175.db2.gz FOVOIEBJLBSCHO-UKKRHICBSA-N 2 0 228.405 1.714 20 0 BDADRP c1[nH]nc2c1[C@@H]([NH2+][C@H]1CC13CC[NH2+]CC3)CCC2 ZINC000817976621 586860192 /nfs/dbraw/zinc/86/01/92/586860192.db2.gz PSLIIIXYFOOALX-AAEUAGOBSA-N 2 0 246.358 1.519 20 0 BDADRP CCCC[NH+]1CCC([NH2+]C[C@H](O)C2CC2)CC1 ZINC000819042475 586927017 /nfs/dbraw/zinc/92/70/17/586927017.db2.gz IRBJOICSRCWLMA-AWEZNQCLSA-N 2 0 240.391 1.611 20 0 BDADRP [NH3+]CCCCCCC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000832630618 587670727 /nfs/dbraw/zinc/67/07/27/587670727.db2.gz RVJSEMGJJYVCIU-GFCCVEGCSA-N 2 0 241.379 1.011 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)CCCCC[NH3+])C1 ZINC000832750109 587683649 /nfs/dbraw/zinc/68/36/49/587683649.db2.gz JOGIDIXAWUXAAF-RYUDHWBXSA-N 2 0 241.379 1.091 20 0 BDADRP [NH3+][C@H](CC(=O)Nc1ccc2c(c1)C[NH2+]C2)C1CC1 ZINC000834845938 587768417 /nfs/dbraw/zinc/76/84/17/587768417.db2.gz JUXAVYPYXXADRF-CYBMUJFWSA-N 2 0 245.326 1.356 20 0 BDADRP C[NH+]1CCC2(CCC[N@H+](CCC[NH3+])C2)CC1 ZINC000841022878 587935757 /nfs/dbraw/zinc/93/57/57/587935757.db2.gz RRKGNTUVCMWKKO-UHFFFAOYSA-N 3 0 225.380 1.143 20 0 BDADRP CC(C)C[C@H]([NH3+])CNCc1ccc(CC[NH3+])cc1 ZINC000841033137 587936856 /nfs/dbraw/zinc/93/68/56/587936856.db2.gz LOPNZNSNYONFAD-HNNXBMFYSA-N 2 0 249.402 1.651 20 0 BDADRP CC[NH2+]CCNCc1cnc(Cl)c(C)c1 ZINC000841034694 587936960 /nfs/dbraw/zinc/93/69/60/587936960.db2.gz CJZYWPKPZUKLQM-UHFFFAOYSA-N 2 0 227.739 1.743 20 0 BDADRP C[NH2+]CCNCc1cncc2ccccc21 ZINC000841034754 587936989 /nfs/dbraw/zinc/93/69/89/587936989.db2.gz DXQWWPVCGPOTNT-UHFFFAOYSA-N 2 0 215.300 1.544 20 0 BDADRP CCCCCC[C@@H](C)[NH2+]CCN1CC[NH2+]CC1 ZINC000841045602 587939012 /nfs/dbraw/zinc/93/90/12/587939012.db2.gz YLECZQWPVZKLDE-CQSZACIVSA-N 2 0 241.423 1.840 20 0 BDADRP Cc1cc(C[NH2+][C@@H](C)CC[NH3+])cnc1Cl ZINC000841050252 587939665 /nfs/dbraw/zinc/93/96/65/587939665.db2.gz IEXSAWXWVMLTSA-VIFPVBQESA-N 2 0 227.739 1.870 20 0 BDADRP Cc1ncc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)s1 ZINC000841079736 587944752 /nfs/dbraw/zinc/94/47/52/587944752.db2.gz NBIRUKPGTVZPNW-LLVKDONJSA-N 2 0 237.372 1.683 20 0 BDADRP C[C@H]1CN(C(=O)CCCCCC[NH3+])[C@@H](C)C[NH2+]1 ZINC000841849198 587977580 /nfs/dbraw/zinc/97/75/80/587977580.db2.gz BDYJILINOPUBTP-RYUDHWBXSA-N 2 0 241.379 1.104 20 0 BDADRP CC(C)C[C@@H](C[NH3+])NC(=O)c1cccc(C[NH3+])c1 ZINC000841848564 587977770 /nfs/dbraw/zinc/97/77/70/587977770.db2.gz MKJFKGWBKSKFQP-ZDUSSCGKSA-N 2 0 249.358 1.249 20 0 BDADRP [NH3+]CCCCCCC[N@H+](CCO)C1CC1 ZINC000842471459 588028756 /nfs/dbraw/zinc/02/87/56/588028756.db2.gz CFJITNKFDAUDRG-UHFFFAOYSA-N 2 0 214.353 1.352 20 0 BDADRP CC(C)C[C@@H](N)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000843054895 588077480 /nfs/dbraw/zinc/07/74/80/588077480.db2.gz MMXNQIPPJSDYNB-OTTFEQOBSA-N 2 0 227.396 1.562 20 0 BDADRP C[C@@]1(C[NH2+]CCCCCC[NH3+])CC[NH2+]C1 ZINC000843127622 588082206 /nfs/dbraw/zinc/08/22/06/588082206.db2.gz FGIADZULKIRDPV-LBPRGKRZSA-N 3 0 213.369 1.095 20 0 BDADRP [NH3+]CCCCCC[NH2+]C[C@H]1CCCOC1 ZINC000843126076 588084862 /nfs/dbraw/zinc/08/48/62/588084862.db2.gz AMTPYRJCVKBZLT-GFCCVEGCSA-N 2 0 214.353 1.522 20 0 BDADRP CCn1ccnc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843120195 588083455 /nfs/dbraw/zinc/08/34/55/588083455.db2.gz RWESCBVEKZZBKV-UHFFFAOYSA-N 2 0 248.374 1.479 20 0 BDADRP [NH3+]CCCCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000843126892 588084219 /nfs/dbraw/zinc/08/42/19/588084219.db2.gz AUEMSXDACIIPCT-MGPQQGTHSA-N 3 0 239.407 1.483 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](NCc2ccc(CC[NH3+])cc2)C1 ZINC000843125578 588084577 /nfs/dbraw/zinc/08/45/77/588084577.db2.gz CTEYINSSGPSAJK-SWLSCSKDSA-N 2 0 247.386 1.275 20 0 BDADRP [NH3+]CCCCCC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000843128129 588084888 /nfs/dbraw/zinc/08/48/88/588084888.db2.gz IAHOGLQUWYYHQN-LBPRGKRZSA-N 3 0 213.369 1.237 20 0 BDADRP c1cn2c(n1)[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)CC2 ZINC000843341088 588100912 /nfs/dbraw/zinc/10/09/12/588100912.db2.gz ZEIZKACYKIUGIK-FDYHWXHSSA-N 2 0 246.358 1.306 20 0 BDADRP Cc1cc([C@H](C)[NH2+]CCCCCC[NH3+])n(C)n1 ZINC000843343012 588101308 /nfs/dbraw/zinc/10/13/08/588101308.db2.gz WJQKYDKGRAAMKQ-LBPRGKRZSA-N 2 0 238.379 1.898 20 0 BDADRP [NH3+]CCCCCC[NH2+][C@H]1CCn2ccnc21 ZINC000843342944 588101509 /nfs/dbraw/zinc/10/15/09/588101509.db2.gz VPHJRESTVZNPPF-NSHDSACASA-N 2 0 222.336 1.437 20 0 BDADRP CCCCOC(=O)CC[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000843348334 588102681 /nfs/dbraw/zinc/10/26/81/588102681.db2.gz JWYWTZMZWJFRNJ-NSHDSACASA-N 2 0 228.336 1.000 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)C1CCC([NH3+])CC1 ZINC000843355677 588103036 /nfs/dbraw/zinc/10/30/36/588103036.db2.gz SXZUGHHDPJBJJC-HSBZDZAISA-N 3 0 239.407 1.578 20 0 BDADRP [NH3+]CCCCCCC[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000843377995 588105700 /nfs/dbraw/zinc/10/57/00/588105700.db2.gz DCUNERFHIVTLRX-AWEZNQCLSA-N 3 0 241.423 1.956 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCCCCC[NH3+] ZINC000843511722 588117621 /nfs/dbraw/zinc/11/76/21/588117621.db2.gz JDGPWCJPVJCZGW-RYUDHWBXSA-N 2 0 241.379 1.010 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)NCCCCCC[NH3+] ZINC000843512752 588117832 /nfs/dbraw/zinc/11/78/32/588117832.db2.gz PIRBUUIKVZWAOR-LLVKDONJSA-N 2 0 229.368 1.010 20 0 BDADRP [NH3+]CCCCCCNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000843512953 588118271 /nfs/dbraw/zinc/11/82/71/588118271.db2.gz VDKNQDOCZLXNQV-GFCCVEGCSA-N 2 0 241.379 1.011 20 0 BDADRP CC(C)([NH3+])CNC(=O)CCCC[NH+]1CCCC1 ZINC000844166124 588171451 /nfs/dbraw/zinc/17/14/51/588171451.db2.gz OSHYDIYEVQPMHP-UHFFFAOYSA-N 2 0 241.379 1.106 20 0 BDADRP [NH3+]CC1(CC[NH2+]Cc2ccc(Cl)nc2)CC1 ZINC000844903261 588218963 /nfs/dbraw/zinc/21/89/63/588218963.db2.gz ADJRBMFOKRGMJE-UHFFFAOYSA-N 2 0 239.750 1.954 20 0 BDADRP Cc1csc(C[NH2+]CCC2(C[NH3+])CC2)n1 ZINC000844904029 588218986 /nfs/dbraw/zinc/21/89/86/588218986.db2.gz WSKDRBHKMACEHI-UHFFFAOYSA-N 2 0 225.361 1.670 20 0 BDADRP [NH3+]CC1(CC[NH2+]Cc2ccc3c[nH]nc3c2)CC1 ZINC000844902642 588219059 /nfs/dbraw/zinc/21/90/59/588219059.db2.gz UORJOJJHBZOQEC-UHFFFAOYSA-N 2 0 244.342 1.782 20 0 BDADRP [NH3+]CC1(CC[NH2+][C@H]2CCCc3n[nH]cc32)CC1 ZINC000844919079 588219262 /nfs/dbraw/zinc/21/92/62/588219262.db2.gz BXPQTLYHQMDDAG-NSHDSACASA-N 2 0 234.347 1.506 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000846219649 588260842 /nfs/dbraw/zinc/26/08/42/588260842.db2.gz DNXGANXOLCDZNG-UHFFFAOYSA-N 3 0 239.407 1.581 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](C)N1CCCCCC[NH3+] ZINC000846220204 588260914 /nfs/dbraw/zinc/26/09/14/588260914.db2.gz KPSWWGUWNRIXNC-TXEJJXNPSA-N 2 0 213.369 1.188 20 0 BDADRP C[C@@H]1C[N@H+](CCCCCC[NH3+])[C@H](C)CN1 ZINC000846220145 588261056 /nfs/dbraw/zinc/26/10/56/588261056.db2.gz DGIBGZPJQNSXFM-VXGBXAGGSA-N 2 0 213.369 1.188 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000846220834 588261261 /nfs/dbraw/zinc/26/12/61/588261261.db2.gz VOSOTKISONQKFU-MJBXVCDLSA-N 3 0 239.407 1.565 20 0 BDADRP C[N@H+](CCOCC[NH3+])[C@H]1C[C@H]1c1ccccc1 ZINC000846221339 588261364 /nfs/dbraw/zinc/26/13/64/588261364.db2.gz BZTNIGZXNAUHPD-KBPBESRZSA-N 2 0 234.343 1.450 20 0 BDADRP C[N@H+](CCCCCC[NH3+])C1(C(N)=O)CCCC1 ZINC000846220595 588261431 /nfs/dbraw/zinc/26/14/31/588261431.db2.gz MJXOCVFWTNQANB-UHFFFAOYSA-N 2 0 241.379 1.235 20 0 BDADRP CCN1C[C@H](C)[N@H+](CCCCCC[NH3+])C[C@@H]1C ZINC000846221264 588261460 /nfs/dbraw/zinc/26/14/60/588261460.db2.gz VWRWDUPLYANRQS-KBPBESRZSA-N 2 0 241.423 1.920 20 0 BDADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCCCCCC[NH3+] ZINC000846706953 588283774 /nfs/dbraw/zinc/28/37/74/588283774.db2.gz BPGKIPRMXVCUQM-STQMWFEESA-N 3 0 227.396 1.707 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCOc2cccnc2)C1 ZINC000848718121 588407914 /nfs/dbraw/zinc/40/79/14/588407914.db2.gz YHRSMEYSTGSOCU-NWDGAFQWSA-N 2 0 235.331 1.320 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)[C@H](O)c1ccccc1 ZINC000848719694 588408516 /nfs/dbraw/zinc/40/85/16/588408516.db2.gz CTQMLTMKKZCVFL-MHEUCROKSA-N 2 0 248.370 1.968 20 0 BDADRP Cc1ccc([C@@H](O)C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000848722718 588408651 /nfs/dbraw/zinc/40/86/51/588408651.db2.gz PUTRIVXEOOFGNB-ILXRZTDVSA-N 2 0 248.370 1.888 20 0 BDADRP CC[C@@H](C)NC(=[NH2+])NCC1([NH+](C)C)CCCC1 ZINC000848981277 588423805 /nfs/dbraw/zinc/42/38/05/588423805.db2.gz PIYJHHLVYDOFGR-LLVKDONJSA-N 2 0 240.395 1.773 20 0 BDADRP CC[C@H](C)NC(=[NH2+])NCC[NH+]1CCCCC1 ZINC000848983134 588424719 /nfs/dbraw/zinc/42/47/19/588424719.db2.gz KFZIASKMEKJPKF-NSHDSACASA-N 2 0 226.368 1.385 20 0 BDADRP CCCNC(=[NH2+])NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000848987007 588425738 /nfs/dbraw/zinc/42/57/38/588425738.db2.gz DOKVTPDBIKHSSY-NWDGAFQWSA-N 2 0 240.395 1.773 20 0 BDADRP CC[C@@H](C)NC(=[NH2+])NC[C@H](CC)[NH+]1CCCC1 ZINC000848986459 588425842 /nfs/dbraw/zinc/42/58/42/588425842.db2.gz URXOTZNPAJVYFK-NEPJUHHUSA-N 2 0 240.395 1.773 20 0 BDADRP C[N@H+](CCNC(=[NH2+])N1CCC1)C1CCCCC1 ZINC000848987955 588426001 /nfs/dbraw/zinc/42/60/01/588426001.db2.gz SCCYTDZHVPWQFR-UHFFFAOYSA-N 2 0 238.379 1.481 20 0 BDADRP CC[C@@H](C)NC(=[NH2+])NCC[N@@H+]1CCC[C@H](C)C1 ZINC000848987497 588426234 /nfs/dbraw/zinc/42/62/34/588426234.db2.gz BHJNRVFAQDPHFV-NWDGAFQWSA-N 2 0 240.395 1.631 20 0 BDADRP C[C@@H](CNC(=[NH2+])N1CCC1)[N@@H+]1CCCC[C@H]1C ZINC000848987080 588426382 /nfs/dbraw/zinc/42/63/82/588426382.db2.gz HTCXHDVIFJDGLJ-NEPJUHHUSA-N 2 0 238.379 1.479 20 0 BDADRP CCNC(=[NH2+])NCCCC[NH+]1CCC(C)CC1 ZINC000848989177 588426736 /nfs/dbraw/zinc/42/67/36/588426736.db2.gz CWFPIXPKLVHGLU-UHFFFAOYSA-N 2 0 240.395 1.632 20 0 BDADRP CCCCNC(=[NH2+])NCCC[NH2+]C(C)(C)C ZINC000848994129 588428225 /nfs/dbraw/zinc/42/82/25/588428225.db2.gz VEFGBEJSABVKLZ-UHFFFAOYSA-N 2 0 228.384 1.679 20 0 BDADRP C[C@H](CNC(=[NH2+])NC1CCC1)[NH+]1CCCCC1 ZINC000848995349 588428732 /nfs/dbraw/zinc/42/87/32/588428732.db2.gz HQRDOYWGAAFRCA-LLVKDONJSA-N 2 0 238.379 1.527 20 0 BDADRP CCN(CC)C(=[NH2+])NCC1CC[NH+](CC)CC1 ZINC000848996353 588429146 /nfs/dbraw/zinc/42/91/46/588429146.db2.gz WOXQGVMCRPZHRP-UHFFFAOYSA-N 2 0 240.395 1.584 20 0 BDADRP CC(C)NC(=[NH2+])NCC[N@@H+]1CCCC(C)(C)C1 ZINC000849023084 588439454 /nfs/dbraw/zinc/43/94/54/588439454.db2.gz KMIGGKUUYTWAHG-UHFFFAOYSA-N 2 0 240.395 1.631 20 0 BDADRP CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000849026020 588440480 /nfs/dbraw/zinc/44/04/80/588440480.db2.gz JPKCYQMNFXOJRK-GFCCVEGCSA-N 2 0 238.379 1.527 20 0 BDADRP CCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CCC ZINC000849027678 588441380 /nfs/dbraw/zinc/44/13/80/588441380.db2.gz DFGNMXJAXOASJJ-NSHDSACASA-N 2 0 226.368 1.385 20 0 BDADRP CCCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CCC ZINC000849027864 588441446 /nfs/dbraw/zinc/44/14/46/588441446.db2.gz MFLWXFSNDIIFPF-LBPRGKRZSA-N 2 0 240.395 1.775 20 0 BDADRP CC(C)NC(=[NH2+])NCc1ccc2c[nH+]cn2c1 ZINC000849040068 588447244 /nfs/dbraw/zinc/44/72/44/588447244.db2.gz ITSUJSCWLKNOEK-UHFFFAOYSA-N 2 0 231.303 1.357 20 0 BDADRP CC(C)C[N@H+](C)CCCNC(=[NH2+])NC1CCC1 ZINC000849047292 588450852 /nfs/dbraw/zinc/45/08/52/588450852.db2.gz UDQXYWFGLJSFMB-UHFFFAOYSA-N 2 0 240.395 1.631 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](CNC(=[NH2+])NCC2CCC2)C1 ZINC000849049428 588451604 /nfs/dbraw/zinc/45/16/04/588451604.db2.gz QGPDIIDQDPEQBL-TXEJJXNPSA-N 2 0 238.379 1.241 20 0 BDADRP CC[N@@H+]1CCCC[C@H]1CNC1=[NH+]CCCCN1 ZINC000849216020 588462459 /nfs/dbraw/zinc/46/24/59/588462459.db2.gz QCYYICJVMHIWGX-LBPRGKRZSA-N 2 0 238.379 1.190 20 0 BDADRP C[N@@H+]1CCC[C@@H](CCNC2=[NH+]CCCCN2)C1 ZINC000849218060 588462523 /nfs/dbraw/zinc/46/25/23/588462523.db2.gz NOLKLHZGAMHFCU-LBPRGKRZSA-N 2 0 238.379 1.047 20 0 BDADRP FC(F)OCC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000852747098 588698954 /nfs/dbraw/zinc/69/89/54/588698954.db2.gz XMFLVSFVUGCPSS-UHFFFAOYSA-N 2 0 234.290 1.301 20 0 BDADRP CN1CC[N@H+](CCCCCCC[NH3+])CCC1=O ZINC000852759098 588700699 /nfs/dbraw/zinc/70/06/99/588700699.db2.gz JQTZDOLWGXAIGX-UHFFFAOYSA-N 2 0 241.379 1.060 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C[C@H]1CCO[C@H](CC)C1 ZINC000863482078 589292630 /nfs/dbraw/zinc/29/26/30/589292630.db2.gz RPVSJLPPUJFTSJ-RFQIPJPRSA-N 2 0 240.391 1.922 20 0 BDADRP CC[C@H]1C[C@H](C[NH2+]CCOCCC[NH3+])CCO1 ZINC000863486133 589293113 /nfs/dbraw/zinc/29/31/13/589293113.db2.gz DZIIFAFMZIARPM-OLZOCXBDSA-N 2 0 244.379 1.147 20 0 BDADRP CCC1(C[NH2+][C@@H]2CC[NH2+]C23CCC3)COC1 ZINC000863483761 589293216 /nfs/dbraw/zinc/29/32/16/589293216.db2.gz ZZGDFMYTGNKPET-LLVKDONJSA-N 2 0 224.348 1.287 20 0 BDADRP [NH3+]CCCOCC[NH2+]Cc1ccc(Cl)nc1 ZINC000863487308 589293652 /nfs/dbraw/zinc/29/36/52/589293652.db2.gz SCLJHWCSNYGOTD-UHFFFAOYSA-N 2 0 243.738 1.190 20 0 BDADRP CCOC(=O)C1=CC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])C1 ZINC000863544029 589297033 /nfs/dbraw/zinc/29/70/33/589297033.db2.gz JCMXMJKOWSFISK-FOGDFJRCSA-N 2 0 240.347 1.354 20 0 BDADRP C[C@@H]1C[C@@H](N[C@H]2CC[NH2+]C23CCC3)CC[NH2+]1 ZINC000863541173 589297110 /nfs/dbraw/zinc/29/71/10/589297110.db2.gz HCKUNURSYAXGHC-WOPDTQHZSA-N 2 0 223.364 1.001 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCC12CCOCC2 ZINC000863543708 589297217 /nfs/dbraw/zinc/29/72/17/589297217.db2.gz WGNFDLVQZALAOL-XQQFMLRXSA-N 2 0 238.375 1.676 20 0 BDADRP CC[N@H+](CCN)CCCCCCC[NH3+] ZINC000863550862 589298672 /nfs/dbraw/zinc/29/86/72/589298672.db2.gz DKIXGNDQZLDJQB-UHFFFAOYSA-N 2 0 201.358 1.176 20 0 BDADRP C[C@H]([NH3+])C[N@H+](C)CCCCCCC[NH3+] ZINC000863567201 589299523 /nfs/dbraw/zinc/29/95/23/589299523.db2.gz CNHDBPANXNHJMV-NSHDSACASA-N 2 0 201.358 1.175 20 0 BDADRP C[C@@H]1C[C@@H]1NC(=[NH2+])NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000864450830 589364545 /nfs/dbraw/zinc/36/45/45/589364545.db2.gz CRTHIJQLJQHGGJ-UTUOFQBUSA-N 2 0 238.379 1.241 20 0 BDADRP CC[NH+](CC)[C@H](C)CNC(=[NH2+])N[C@@H]1C[C@H]1C ZINC000864453249 589365530 /nfs/dbraw/zinc/36/55/30/589365530.db2.gz LVCJYNYZUNNFDC-GMTAPVOTSA-N 2 0 226.368 1.239 20 0 BDADRP CCC(CC)NC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000864453368 589365542 /nfs/dbraw/zinc/36/55/42/589365542.db2.gz YYJHVJHDUGLCTE-LBPRGKRZSA-N 2 0 240.395 1.773 20 0 BDADRP CC[NH+](CC)[C@H](C)CNC(=[NH2+])N[C@H]1C[C@@H]1C ZINC000864453247 589365612 /nfs/dbraw/zinc/36/56/12/589365612.db2.gz LVCJYNYZUNNFDC-AXFHLTTASA-N 2 0 226.368 1.239 20 0 BDADRP C[C@H]1C[C@H]1NC(=[NH2+])NCC[N@H+](C)C1CCCC1 ZINC000864457579 589367880 /nfs/dbraw/zinc/36/78/80/589367880.db2.gz FJVCDPYYTPJMNF-CMPLNLGQSA-N 2 0 238.379 1.383 20 0 BDADRP CC[C@H]1CCN(C(=[NH2+])NCC[NH2+]C(C)(C)C)C1 ZINC000864457710 589368108 /nfs/dbraw/zinc/36/81/08/589368108.db2.gz GQFMXCCLRJMYGW-NSHDSACASA-N 2 0 240.395 1.631 20 0 BDADRP C[NH+]1CCC(C[NH2+]Cc2cn(C3CC3)cn2)CC1 ZINC000865451150 589436720 /nfs/dbraw/zinc/43/67/20/589436720.db2.gz ZMSBPCFJAVAJRZ-UHFFFAOYSA-N 2 0 248.374 1.649 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)C1CC1 ZINC000865659028 589454914 /nfs/dbraw/zinc/45/49/14/589454914.db2.gz DVCSCAGXMKSIRR-PWSUYJOCSA-N 2 0 226.364 1.220 20 0 BDADRP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000865658909 589454948 /nfs/dbraw/zinc/45/49/48/589454948.db2.gz DKMJFHVSMWVVMQ-AGIUHOORSA-N 2 0 240.391 1.610 20 0 BDADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CCOC2)CC1 ZINC000865717470 589458221 /nfs/dbraw/zinc/45/82/21/589458221.db2.gz YWQBLAYZENLEOM-CQSZACIVSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@@H](C)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000866588896 589502328 /nfs/dbraw/zinc/50/23/28/589502328.db2.gz AXCWKTWULWVYFL-CYBMUJFWSA-N 2 0 239.407 1.497 20 0 BDADRP C[C@@H]1C[C@H](N)C[N@@H+]1CCCCCCC[NH3+] ZINC000866681985 589511516 /nfs/dbraw/zinc/51/15/16/589511516.db2.gz DPCFOBIZOTYPAW-NEPJUHHUSA-N 2 0 213.369 1.317 20 0 BDADRP CC(C)(C)[C@]1(C[NH3+])CCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000866704726 589513228 /nfs/dbraw/zinc/51/32/28/589513228.db2.gz XFGPXCBIHMDSDR-OCCSQVGLSA-N 2 0 239.407 1.293 20 0 BDADRP [NH3+]CCCCCCN1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000866717329 589514123 /nfs/dbraw/zinc/51/41/23/589514123.db2.gz BSALKOCBYVYZDK-KGLIPLIRSA-N 2 0 239.407 1.579 20 0 BDADRP COC[C@H](C)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866706209 589514280 /nfs/dbraw/zinc/51/42/80/589514280.db2.gz NGRBMERKKSLHGX-AAEUAGOBSA-N 2 0 228.380 1.718 20 0 BDADRP C(CN1CCC[C@H]2[NH2+]CC[C@@H]21)[C@@H]1CCC[NH2+]C1 ZINC000866722933 589515167 /nfs/dbraw/zinc/51/51/67/589515167.db2.gz ASYKBOZIJORAKR-MJBXVCDLSA-N 2 0 237.391 1.202 20 0 BDADRP C(CN1CCC[C@@H]2[NH2+]CC[C@H]21)[C@@H]1CCC[NH2+]C1 ZINC000866722931 589515438 /nfs/dbraw/zinc/51/54/38/589515438.db2.gz ASYKBOZIJORAKR-MELADBBJSA-N 2 0 237.391 1.202 20 0 BDADRP CC(C)(C)[NH2+]CCNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870892136 589695034 /nfs/dbraw/zinc/69/50/34/589695034.db2.gz NIPRQBNLUYRTKI-XYPYZODXSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000872144442 589884421 /nfs/dbraw/zinc/88/44/21/589884421.db2.gz ZBOHKZGUIPWBBQ-RWMBFGLXSA-N 2 0 238.375 1.615 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@H+](C)CCCCCC[NH3+] ZINC000872156404 589884634 /nfs/dbraw/zinc/88/46/34/589884634.db2.gz JDCWJPYOEFBYME-QWHCGFSZSA-N 2 0 228.380 1.862 20 0 BDADRP Cc1csc([C@H]2CC[N@H+](CCC[NH3+])C2)n1 ZINC000872150041 589885186 /nfs/dbraw/zinc/88/51/86/589885186.db2.gz XLZQQFVOQAMMRA-JTQLQIEISA-N 2 0 225.361 1.590 20 0 BDADRP CO[C@H](C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1)C1CCC1 ZINC000872154205 589885251 /nfs/dbraw/zinc/88/52/51/589885251.db2.gz NKKSODFEHGIKQN-BFHYXJOUSA-N 2 0 238.375 1.343 20 0 BDADRP C[N@H+](CCCCCC[NH3+])CC[C@H]1CCC[NH2+]C1 ZINC000872155519 589885796 /nfs/dbraw/zinc/88/57/96/589885796.db2.gz OGGIINYQIOSVDP-CQSZACIVSA-N 3 0 241.423 1.827 20 0 BDADRP C[N@H+](CCCCCC[NH3+])CC[C@@H]1CC[NH2+]C1 ZINC000872155193 589886393 /nfs/dbraw/zinc/88/63/93/589886393.db2.gz GOULNFDETAXIMO-ZDUSSCGKSA-N 3 0 227.396 1.437 20 0 BDADRP C[C@H](CCC[NH3+])NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872293011 589907273 /nfs/dbraw/zinc/90/72/73/589907273.db2.gz BKSLJCTWDJVBSM-UTUOFQBUSA-N 2 0 241.379 1.138 20 0 BDADRP C[C@]1(CNc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC[NH2+]C1 ZINC000873216856 589998214 /nfs/dbraw/zinc/99/82/14/589998214.db2.gz ZCZSALGZYZQAJP-ZNMIVQPWSA-N 2 0 245.370 1.913 20 0 BDADRP C[C@@H]([NH2+]Cc1ccc(N)nc1)C1CC[NH2+]CC1 ZINC000873221156 589999409 /nfs/dbraw/zinc/99/94/09/589999409.db2.gz MYYUXDMQEQQTCV-SNVBAGLBSA-N 2 0 234.347 1.142 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)CCS1 ZINC000873225137 590000893 /nfs/dbraw/zinc/00/08/93/590000893.db2.gz OIQXNOOHCWVUKV-TUAOUCFPSA-N 2 0 228.405 1.812 20 0 BDADRP CC(=O)C1CC[NH+](C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000873228013 590000954 /nfs/dbraw/zinc/00/09/54/590000954.db2.gz PYRIYHFJGAXYPT-DGCLKSJQSA-N 2 0 238.375 1.676 20 0 BDADRP C[N@H+](CCCCCC[NH3+])C[C@@]1(C)CC[NH2+]C1 ZINC000873231505 590002657 /nfs/dbraw/zinc/00/26/57/590002657.db2.gz LEUMRIDIRIQWBB-ZDUSSCGKSA-N 3 0 227.396 1.437 20 0 BDADRP [NH3+]CCC[NH2+][C@H]1CCCCC12CC[NH2+]CC2 ZINC000873232359 590002877 /nfs/dbraw/zinc/00/28/77/590002877.db2.gz XKXGCICUYXREDT-LBPRGKRZSA-N 3 0 225.380 1.237 20 0 BDADRP CC1(C)CC[C@H](CN[C@H]2CCC[C@@H]2[NH3+])[NH2+]C1 ZINC000873236404 590004462 /nfs/dbraw/zinc/00/44/62/590004462.db2.gz HBCZBRSAVMSDRO-WOPDTQHZSA-N 2 0 225.380 1.234 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1F ZINC000873239059 590005617 /nfs/dbraw/zinc/00/56/17/590005617.db2.gz MZQOGNPKKOLENL-CHWFTXMASA-N 2 0 202.317 1.983 20 0 BDADRP COC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)C1CCCC1 ZINC000873248475 590006563 /nfs/dbraw/zinc/00/65/63/590006563.db2.gz BCBGVRRPWAWDHB-KGYLQXTDSA-N 2 0 226.364 1.519 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CCCc3cccnc32)C1 ZINC000873248645 590007627 /nfs/dbraw/zinc/00/76/27/590007627.db2.gz CSNYUPLRTWPUNS-UHTWSYAYSA-N 2 0 231.343 1.786 20 0 BDADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873250300 590007770 /nfs/dbraw/zinc/00/77/70/590007770.db2.gz OWJYJVBLFQCJDR-JLLWLGSASA-N 3 0 248.374 1.237 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000873249865 590007827 /nfs/dbraw/zinc/00/78/27/590007827.db2.gz NEVDETIFTZAXLQ-RDBQEKCUSA-N 3 0 231.343 1.458 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873248694 590007853 /nfs/dbraw/zinc/00/78/53/590007853.db2.gz DREMXHSHLVRUJZ-RVMXOQNASA-N 2 0 226.364 1.519 20 0 BDADRP CCC1(CC)[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1OC ZINC000873251662 590008218 /nfs/dbraw/zinc/00/82/18/590008218.db2.gz MRCBYFZQDWPUPB-YVECIDJPSA-N 2 0 240.391 1.907 20 0 BDADRP CC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1nccn1C ZINC000873251343 590008382 /nfs/dbraw/zinc/00/83/82/590008382.db2.gz LFNOQPXQIJTXDV-OUAUKWLOSA-N 2 0 222.336 1.198 20 0 BDADRP Cc1cc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)n(C)n1 ZINC000873251892 590008918 /nfs/dbraw/zinc/00/89/18/590008918.db2.gz YAUMSEGTKXODIB-GARJFASQSA-N 2 0 222.336 1.116 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cncc(F)c1 ZINC000873253794 590009617 /nfs/dbraw/zinc/00/96/17/590009617.db2.gz FHKQKZWFRQINCF-LNLATYFQSA-N 2 0 223.295 1.609 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCCCC1CC1 ZINC000873253553 590009755 /nfs/dbraw/zinc/00/97/55/590009755.db2.gz ZBBFMLKVBNNHGB-UBHSHLNASA-N 2 0 240.391 1.909 20 0 BDADRP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873255202 590010277 /nfs/dbraw/zinc/01/02/77/590010277.db2.gz DNVQIZGQEFHXIB-JHJVBQTASA-N 2 0 236.363 1.235 20 0 BDADRP Cc1nc([C@@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)cs1 ZINC000873255347 590011129 /nfs/dbraw/zinc/01/11/29/590011129.db2.gz GMVHUSKZPQVOFO-SZEHBUNVSA-N 2 0 225.361 1.839 20 0 BDADRP CC[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1nccn1C ZINC000873256005 590011223 /nfs/dbraw/zinc/01/12/23/590011223.db2.gz LFNOQPXQIJTXDV-GMTAPVOTSA-N 2 0 222.336 1.198 20 0 BDADRP CC[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cnn(C)c1 ZINC000873256377 590011425 /nfs/dbraw/zinc/01/14/25/590011425.db2.gz OEYQELWVDJXUAG-YUSALJHKSA-N 2 0 222.336 1.198 20 0 BDADRP CC[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)[C@H]1CCOC1 ZINC000873256741 590011724 /nfs/dbraw/zinc/01/17/24/590011724.db2.gz PWELUCBHHHCSFJ-FIQHERPVSA-N 2 0 212.337 1.128 20 0 BDADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CCC23CCOCC3)C1 ZINC000873258479 590012707 /nfs/dbraw/zinc/01/27/07/590012707.db2.gz RJIBZQAXOFXWSN-SRVKXCTJSA-N 2 0 224.348 1.273 20 0 BDADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CC[C@H]2C2CCC2)C1 ZINC000873258313 590012886 /nfs/dbraw/zinc/01/28/86/590012886.db2.gz QBSDGRAPSUMKCZ-XYJRDEOASA-N 2 0 208.349 1.892 20 0 BDADRP [NH3+][C@H]1C[C@H](C[NH2+]C2CCSCC2)C1 ZINC000873258536 590012921 /nfs/dbraw/zinc/01/29/21/590012921.db2.gz RMVAANPNACXITD-KYZUINATSA-N 2 0 200.351 1.209 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000873260225 590013392 /nfs/dbraw/zinc/01/33/92/590013392.db2.gz VXGGBZVDEQGBEL-VCDKRKBESA-N 2 0 208.349 1.905 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)O1 ZINC000873262344 590014323 /nfs/dbraw/zinc/01/43/23/590014323.db2.gz XHJZQUQHVCGBDN-YOVYLDAJSA-N 2 0 238.375 1.673 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1c2ccccc2CN1C)C1C[NH2+]C1 ZINC000873265034 590015015 /nfs/dbraw/zinc/01/50/15/590015015.db2.gz GHLRKSKIAYPDIV-ABAIWWIYSA-N 2 0 245.370 1.371 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1c2ccccc2CN1C ZINC000873263909 590015050 /nfs/dbraw/zinc/01/50/50/590015050.db2.gz AGQJRUZVYXUPQE-SLEUVZQESA-N 2 0 247.386 1.889 20 0 BDADRP C[C@@H]([NH2+][C@@H]1C[C@H](C)n2ccnc21)C1CC[NH2+]CC1 ZINC000873269180 590015333 /nfs/dbraw/zinc/01/53/33/590015333.db2.gz DLFSHRFYDPTBNJ-DMDPSCGWSA-N 2 0 248.374 1.867 20 0 BDADRP Cc1n[nH]cc1[C@@H](C)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873270881 590015932 /nfs/dbraw/zinc/01/59/32/590015932.db2.gz BXLVAHGPSYUFJG-VHSXEESVSA-N 2 0 236.363 1.757 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccnn1C ZINC000873271871 590015972 /nfs/dbraw/zinc/01/59/72/590015972.db2.gz MXRPDOOFOJUFJN-WDEREUQCSA-N 2 0 236.363 1.459 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873272083 590016170 /nfs/dbraw/zinc/01/61/70/590016170.db2.gz PLSVNLACQWFQCI-DCAQKATOSA-N 3 0 213.369 1.090 20 0 BDADRP C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000873271456 590016111 /nfs/dbraw/zinc/01/61/11/590016111.db2.gz IFYDKCZDRMXBAK-GVXVVHGQSA-N 3 0 225.380 1.105 20 0 BDADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)C1CC[NH2+]CC1 ZINC000873272825 590017052 /nfs/dbraw/zinc/01/70/52/590017052.db2.gz WSBIRQRPRJLIOZ-SGMGOOAPSA-N 3 0 239.407 1.495 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[C@H]3CCC[C@@H]3O2)C1 ZINC000873281598 590018257 /nfs/dbraw/zinc/01/82/57/590018257.db2.gz MLOHZWJUMMRLLR-DGTMBMJNSA-N 2 0 238.375 1.804 20 0 BDADRP COCC(C)(C)CC[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000873281447 590018268 /nfs/dbraw/zinc/01/82/68/590018268.db2.gz JANDEKDVVJLFKB-QWRGUYRKSA-N 2 0 214.353 1.519 20 0 BDADRP CCC[C@@H](C)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290857 590023091 /nfs/dbraw/zinc/02/30/91/590023091.db2.gz UBHUKYZGDLZLLL-OLZOCXBDSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H]([NH2+]C1CC(Nc2ccccc2)C1)C1C[NH2+]C1 ZINC000873295183 590024092 /nfs/dbraw/zinc/02/40/92/590024092.db2.gz BKZLSTLICRSSLJ-QGLTVNCISA-N 2 0 245.370 1.827 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000873296934 590024860 /nfs/dbraw/zinc/02/48/60/590024860.db2.gz NWLWCBSKEFUXJV-ZNMIVQPWSA-N 2 0 245.370 1.170 20 0 BDADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H]1C[C@H](O)C1 ZINC000873297306 590025257 /nfs/dbraw/zinc/02/52/57/590025257.db2.gz VYBJOPOJFOHHOG-NMFUWQPSSA-N 2 0 248.370 1.305 20 0 BDADRP Cc1cnccc1NC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876752856 590238125 /nfs/dbraw/zinc/23/81/25/590238125.db2.gz BEDJOLSBUZSHGQ-GXSJLCMTSA-N 2 0 233.315 1.124 20 0 BDADRP C[C@H]([NH3+])CN(C)C(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000877095284 590281703 /nfs/dbraw/zinc/28/17/03/590281703.db2.gz JSWAOTSGLXWQPY-TUAOUCFPSA-N 2 0 241.379 1.090 20 0 BDADRP C[C@H]([NH3+])CN(C)C(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000877095278 590281809 /nfs/dbraw/zinc/28/18/09/590281809.db2.gz JSWAOTSGLXWQPY-QJPTWQEYSA-N 2 0 241.379 1.090 20 0 BDADRP C[C@H](C(=O)N(C)C[C@H](C)[NH3+])[NH+]1CCCCCC1 ZINC000877103535 590284316 /nfs/dbraw/zinc/28/43/16/590284316.db2.gz WYBSHRHMRBYFFH-NWDGAFQWSA-N 2 0 241.379 1.057 20 0 BDADRP C[C@H]([NH3+])CN(C)C(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000877105842 590284787 /nfs/dbraw/zinc/28/47/87/590284787.db2.gz SLEZGYNUIXTJCW-CMPLNLGQSA-N 2 0 241.379 1.090 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCN2CCC[C@@H]2C)CS1 ZINC000877154356 590293236 /nfs/dbraw/zinc/29/32/36/590293236.db2.gz OSFWNWKNYAGOQA-TUAOUCFPSA-N 2 0 228.405 1.954 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCN2CCC[C@H]2C)CS1 ZINC000877154358 590293559 /nfs/dbraw/zinc/29/35/59/590293559.db2.gz OSFWNWKNYAGOQA-UTUOFQBUSA-N 2 0 228.405 1.954 20 0 BDADRP COC[C@@H]([NH2+]C[C@@H](C)N1CCCCC1)C1CC1 ZINC000126432738 590302650 /nfs/dbraw/zinc/30/26/50/590302650.db2.gz XNIXBXUCHZSGKF-TZMCWYRMSA-N 2 0 240.391 1.875 20 0 BDADRP C[N@@H+]1CC[C@H]2C[NH+](CC3(C)CC3)CC[C@H]21 ZINC000877738227 590404541 /nfs/dbraw/zinc/40/45/41/590404541.db2.gz ASHHRMGHGYPETP-NWDGAFQWSA-N 2 0 208.349 1.813 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000878105229 590494761 /nfs/dbraw/zinc/49/47/61/590494761.db2.gz YNZWNCMLTCXOQK-RWMBFGLXSA-N 2 0 226.364 1.295 20 0 BDADRP CO[C@H]1C[C@@H](C[N@H+](C)CCC[NH+]2CCCC2)C1 ZINC000878550566 590590247 /nfs/dbraw/zinc/59/02/47/590590247.db2.gz YMZULNTUHJPFGK-OKILXGFUSA-N 2 0 240.391 1.829 20 0 BDADRP CO[C@@H]1CC[C@H](C)[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000879320214 590740213 /nfs/dbraw/zinc/74/02/13/590740213.db2.gz DPWBIFKQQQMUKW-BFHYXJOUSA-N 2 0 240.391 1.970 20 0 BDADRP C[N@@H+]1CC[C@H]2C[NH+](CCC3(O)CCC3)CC[C@H]21 ZINC000879578009 590815160 /nfs/dbraw/zinc/81/51/60/590815160.db2.gz AEAJIKGZVMSZOL-QWHCGFSZSA-N 2 0 238.375 1.318 20 0 BDADRP CC[C@H](C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1)OC ZINC000879581295 590822586 /nfs/dbraw/zinc/82/25/86/590822586.db2.gz XULYMWANUNYLQU-UPJWGTAASA-N 2 0 226.364 1.437 20 0 BDADRP COC[C@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880259712 590980260 /nfs/dbraw/zinc/98/02/60/590980260.db2.gz ZNZWPALFQOLHSA-STQMWFEESA-N 2 0 249.358 1.627 20 0 BDADRP Cc1ncnc(N2CCC([NH+](C)C)CC2)c1C ZINC000881801845 591271969 /nfs/dbraw/zinc/27/19/69/591271969.db2.gz QVNWBHDQQXTPCD-UHFFFAOYSA-N 2 0 234.347 1.624 20 0 BDADRP C=C/C=C/CCN1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000883434272 591664224 /nfs/dbraw/zinc/66/42/24/591664224.db2.gz LWQLTPLMVZJDHF-OOPLNXAUSA-N 2 0 246.358 1.279 20 0 BDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCCCCCC[NH3+] ZINC000883441941 591669390 /nfs/dbraw/zinc/66/93/90/591669390.db2.gz ASMAGEYKGGXDTN-RYUDHWBXSA-N 3 0 227.396 1.611 20 0 BDADRP C[NH2+]CCCN(C)C1(C[NH3+])CCCCC1 ZINC000883454021 591672543 /nfs/dbraw/zinc/67/25/43/591672543.db2.gz MRJPCWCNIXPBNX-UHFFFAOYSA-N 2 0 213.369 1.189 20 0 BDADRP CN(C[C@@H]1C[C@H](F)C[NH2+]1)C1(C[NH3+])CCCCC1 ZINC000883454442 591672662 /nfs/dbraw/zinc/67/26/62/591672662.db2.gz BAAKZMFXTMLNMK-RYUDHWBXSA-N 2 0 243.370 1.280 20 0 BDADRP CC[S@@](=O)CC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000133516262 591810477 /nfs/dbraw/zinc/81/04/77/591810477.db2.gz ORKNYLYHYDNCLK-BZNIZROVSA-N 2 0 246.420 1.075 20 0 BDADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000884034703 591817408 /nfs/dbraw/zinc/81/74/08/591817408.db2.gz KEANBGVVPSIQRJ-GHMZBOCLSA-N 2 0 243.395 1.095 20 0 BDADRP Cc1cc(CNC(=O)[C@@H]([NH3+])CC2CC2)cc(C)n1 ZINC000884347332 591909030 /nfs/dbraw/zinc/90/90/30/591909030.db2.gz QIYPMCRMPYWGIT-ZDUSSCGKSA-N 2 0 247.342 1.442 20 0 BDADRP CC(C)SCC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000215465363 591947334 /nfs/dbraw/zinc/94/73/34/591947334.db2.gz IFHUZSMUTUYIBA-LLVKDONJSA-N 2 0 216.394 1.860 20 0 BDADRP C[N@@H+]1CC[C@]2(CCN(C[C@@](C)(O)C(F)F)C2)C1 ZINC000886215880 592178056 /nfs/dbraw/zinc/17/80/56/592178056.db2.gz SLNMWNNUTQRBOH-NEPJUHHUSA-N 2 0 248.317 1.030 20 0 BDADRP C[C@H](O)C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886487803 592235060 /nfs/dbraw/zinc/23/50/60/592235060.db2.gz VYMUXGHQYJAQHB-HSBZDZAISA-N 2 0 240.391 1.754 20 0 BDADRP C[C@H](CO)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886510047 592240571 /nfs/dbraw/zinc/24/05/71/592240571.db2.gz RDHPOJJEOVYGDW-IYXRBSQSSA-N 2 0 240.391 1.754 20 0 BDADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H](C)C[NH+](C)C)C1 ZINC000886613723 592275710 /nfs/dbraw/zinc/27/57/10/592275710.db2.gz CPOJKDPJDOGNRE-TUAOUCFPSA-N 2 0 242.363 1.115 20 0 BDADRP C([C@@H]1C[C@]12CCOC2)[N@@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000886832171 592353926 /nfs/dbraw/zinc/35/39/26/592353926.db2.gz CFCHUXGCABPSGG-CRWXNKLISA-N 2 0 236.359 1.239 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC000886838383 592358690 /nfs/dbraw/zinc/35/86/90/592358690.db2.gz WOHIEHLOPGQCNB-MELADBBJSA-N 2 0 238.375 1.474 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC[C@H](C2CC2)O1 ZINC000886840169 592360026 /nfs/dbraw/zinc/36/00/26/592360026.db2.gz VGVNGOIMCROIQM-AAVRWANBSA-N 2 0 238.375 1.804 20 0 BDADRP CCN(CC[C@@H]1CCC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000886848988 592360361 /nfs/dbraw/zinc/36/03/61/592360361.db2.gz XLIDESIODODCLP-QWHCGFSZSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2C[C@@]23CCOC3)C[C@@H]1C[NH3+] ZINC000886840346 592361218 /nfs/dbraw/zinc/36/12/18/592361218.db2.gz ZMGWDPQWFMAMKV-ZOBORPQBSA-N 2 0 238.375 1.330 20 0 BDADRP [NH3+][C@]12CCC[C@@H]1C[N@H+](C[C@H]1C[C@]13CCOC3)C2 ZINC000886841268 592361648 /nfs/dbraw/zinc/36/16/48/592361648.db2.gz GTQZJBRKFVJXON-MQYQWHSLSA-N 2 0 236.359 1.226 20 0 BDADRP [NH3+]CCC[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886857882 592370235 /nfs/dbraw/zinc/37/02/35/592370235.db2.gz DQASVHJZTGRWOU-UWVGGRQHSA-N 2 0 236.281 2.000 20 0 BDADRP C[NH2+]CCCN1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886872177 592373091 /nfs/dbraw/zinc/37/30/91/592373091.db2.gz LNPQUSKKUGENHT-ZDUSSCGKSA-N 2 0 225.380 1.062 20 0 BDADRP C[NH+](C)C1(CNC(=[NH2+])NCC(F)F)CCCC1 ZINC000887345767 592484053 /nfs/dbraw/zinc/48/40/53/592484053.db2.gz CRTRDRPMKIIGPJ-UHFFFAOYSA-N 2 0 248.321 1.240 20 0 BDADRP CC(C)(C)[NH2+]CCCNC(=[NH2+])NCC1CC1 ZINC000887351684 592486330 /nfs/dbraw/zinc/48/63/30/592486330.db2.gz XHRTVURFJJHQRB-UHFFFAOYSA-N 2 0 226.368 1.289 20 0 BDADRP CC(C)C[C@H](O)C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000300233233 592504660 /nfs/dbraw/zinc/50/46/60/592504660.db2.gz PNUNUEWIVLRKDC-SRVKXCTJSA-N 2 0 214.353 1.110 20 0 BDADRP CC(C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000300231412 592505108 /nfs/dbraw/zinc/50/51/08/592505108.db2.gz HEOKLUSAHMNYPZ-RWMBFGLXSA-N 2 0 228.380 1.501 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCCCCCO ZINC000300339378 592507664 /nfs/dbraw/zinc/50/76/64/592507664.db2.gz HJZAQTYHJLTYEH-QWHCGFSZSA-N 2 0 228.380 1.646 20 0 BDADRP C[N@H+](CCSC(F)(F)F)C1CC[NH2+]CC1 ZINC000123609941 592714502 /nfs/dbraw/zinc/71/45/02/592714502.db2.gz BGBYKGUNLMXOLQ-UHFFFAOYSA-N 2 0 242.310 1.923 20 0 BDADRP C(C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C[C@@H]1CCC[NH2+]1 ZINC000925704447 634384772 /nfs/dbraw/zinc/38/47/72/634384772.db2.gz GWXVPNWGZKJIND-GXYBRJDSSA-N 3 0 249.402 1.105 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)C12CCC2 ZINC000925705276 634388910 /nfs/dbraw/zinc/38/89/10/634388910.db2.gz AYOMFNWNVGDVMH-ZIQFBCGOSA-N 2 0 222.332 1.166 20 0 BDADRP C1CC2(C1)C[C@H](N[C@@H]1CC[NH2+]C13CCC3)CC[NH2+]2 ZINC000925707296 634393798 /nfs/dbraw/zinc/39/37/98/634393798.db2.gz OZISKGAAFSVMID-CHWSQXEVSA-N 2 0 249.402 1.535 20 0 BDADRP COC1CC(CC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925713149 634414875 /nfs/dbraw/zinc/41/48/75/634414875.db2.gz KCAPJIUPFNXNLJ-IFWUJCSASA-N 2 0 238.375 1.661 20 0 BDADRP C[C@H]1[NH2+]CCC[C@@H]1NCc1ccc(C[NH3+])cc1 ZINC000925712902 634417558 /nfs/dbraw/zinc/41/75/58/634417558.db2.gz QDLTZCXDUFZWOD-RISCZKNCSA-N 2 0 233.359 1.375 20 0 BDADRP [NH3+]CCCCCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925714179 634420601 /nfs/dbraw/zinc/42/06/01/634420601.db2.gz WJEJSTRKPSSMAN-NWDGAFQWSA-N 3 0 225.380 1.365 20 0 BDADRP C[C@@H](C[NH2+][C@@H]1COCC1(C)C)C[NH+](C)C ZINC000312991155 634424486 /nfs/dbraw/zinc/42/44/86/634424486.db2.gz CRDTTXWVFQHORN-WDEREUQCSA-N 2 0 214.353 1.199 20 0 BDADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ncc[nH]1 ZINC000124833481 634433316 /nfs/dbraw/zinc/43/33/16/634433316.db2.gz IFSCPXFJLBIAAI-XNWIYYODSA-N 2 0 208.309 1.330 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1COCC1(C)C ZINC000313029506 634439246 /nfs/dbraw/zinc/43/92/46/634439246.db2.gz HRMCAUJQBHHLSL-GHMZBOCLSA-N 2 0 214.353 1.341 20 0 BDADRP C[C@H]([NH3+])[C@H](NCC12CC(C1)C[NH2+]2)c1ccccc1 ZINC000925715529 634442578 /nfs/dbraw/zinc/44/25/78/634442578.db2.gz JRHUAYVDPIRNLP-CNFGXJBXSA-N 2 0 245.370 1.417 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC[C@H]2CCCOC2)C12CCC2 ZINC000925720086 634458050 /nfs/dbraw/zinc/45/80/50/634458050.db2.gz FMHFIBYKUGHMAJ-JHJVBQTASA-N 2 0 238.375 1.663 20 0 BDADRP CC1(C)[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925727180 634524553 /nfs/dbraw/zinc/52/45/53/634524553.db2.gz NEXJEFOPYPHRQE-FHUSYTEZSA-N 3 0 237.391 1.090 20 0 BDADRP [NH3+]C1CC(C[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)C1 ZINC000925729737 634551128 /nfs/dbraw/zinc/55/11/28/634551128.db2.gz LNGATNBCLPEERS-BMYFTYEUSA-N 2 0 238.375 1.519 20 0 BDADRP C[C@@H]([NH2+][C@@H]1C[C@H]1[C@@H]1C[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000925822178 635398581 /nfs/dbraw/zinc/39/85/81/635398581.db2.gz JGBWCKKAWRAAFJ-JOLBHGKHSA-N 2 0 208.349 1.761 20 0 BDADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1COC[C@H]1C ZINC000925826284 635434677 /nfs/dbraw/zinc/43/46/77/635434677.db2.gz GTXMBKQEKMAWJK-OLUVUFQESA-N 2 0 249.358 1.534 20 0 BDADRP Cc1cc(NC[C@H](C)C[NH+]2CCCC2)nc(N)[nH+]1 ZINC000107832619 635491171 /nfs/dbraw/zinc/49/11/71/635491171.db2.gz KDMIQKVXDCFEMM-JTQLQIEISA-N 2 0 249.362 1.511 20 0 BDADRP CSCC[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000228911674 635464669 /nfs/dbraw/zinc/46/46/69/635464669.db2.gz SMVRPFKNPLRHGC-VXGBXAGGSA-N 2 0 246.420 1.174 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000925834130 635481166 /nfs/dbraw/zinc/48/11/66/635481166.db2.gz WKSIJJJCWYEAOV-AXTSPUMRSA-N 2 0 236.281 1.915 20 0 BDADRP CC[C@H](C)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925854077 635540578 /nfs/dbraw/zinc/54/05/78/635540578.db2.gz KFJKLVMHEBSZRX-QWRGUYRKSA-N 2 0 240.347 1.060 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@]2(C)CCCOC2)CC1 ZINC000234315564 635550653 /nfs/dbraw/zinc/55/06/53/635550653.db2.gz ZIQNAOCNWLBOEX-CYBMUJFWSA-N 2 0 226.364 1.487 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@H]2CCO[C@H]2C2CC2)CC1 ZINC000234331534 635554154 /nfs/dbraw/zinc/55/41/54/635554154.db2.gz MOBQUENIVPKPMB-KGLIPLIRSA-N 2 0 238.375 1.485 20 0 BDADRP CO[C@@H]1[C@H](C)[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C1(C)C ZINC000925882494 635609793 /nfs/dbraw/zinc/60/97/93/635609793.db2.gz NHQDHSOJQMVYPJ-NAWOPXAZSA-N 2 0 240.391 1.763 20 0 BDADRP CC(C)[N@H+](C)CCNC(=O)CC[NH2+]C(C)(C)C ZINC000054133572 635611083 /nfs/dbraw/zinc/61/10/83/635611083.db2.gz LGKZQKFMDIMTRX-UHFFFAOYSA-N 2 0 243.395 1.221 20 0 BDADRP CO[C@H]1C[C@H]([NH2+]CCC[NH+](C)C)C12CCC2 ZINC000308335867 631227126 /nfs/dbraw/zinc/22/71/26/631227126.db2.gz CLVCONODJNBGSD-RYUDHWBXSA-N 2 0 226.364 1.485 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](CCc2cccnc2)C1 ZINC000076647824 631300662 /nfs/dbraw/zinc/30/06/62/631300662.db2.gz NFABYFNSHKBXJN-ZDUSSCGKSA-N 2 0 219.332 1.295 20 0 BDADRP C[NH+]1CCC(C[NH2+]CCc2cscn2)CC1 ZINC000082626129 631407416 /nfs/dbraw/zinc/40/74/16/631407416.db2.gz IZSCJHFZSWGYGS-UHFFFAOYSA-N 2 0 239.388 1.617 20 0 BDADRP C[C@H]1C[C@H](NCCC(C)(C)[NH3+])CC[N@@H+]1C ZINC000308969610 631774722 /nfs/dbraw/zinc/77/47/22/631774722.db2.gz ONGUOWSKSYNQKV-WDEREUQCSA-N 2 0 213.369 1.186 20 0 BDADRP C[NH+](C)CC(C)(C)CNCc1cn[nH]c1 ZINC000309028089 631809989 /nfs/dbraw/zinc/80/99/89/631809989.db2.gz BYCYCZVMVCWSRN-UHFFFAOYSA-N 2 0 210.325 1.087 20 0 BDADRP CSC1(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000235116003 631981692 /nfs/dbraw/zinc/98/16/92/631981692.db2.gz ZILWMZWCUSNJNF-MNOVXSKESA-N 2 0 228.405 1.989 20 0 BDADRP COc1cccc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)c1 ZINC000075072494 632030987 /nfs/dbraw/zinc/03/09/87/632030987.db2.gz WKKUCAIRMOFXNO-GFCCVEGCSA-N 2 0 234.343 1.866 20 0 BDADRP Cc1cc(NCC[N@H+]2CCC[C@@H](C)C2)nc(N)[nH+]1 ZINC000052207223 632103788 /nfs/dbraw/zinc/10/37/88/632103788.db2.gz VHMRGZDFRFTKRX-SNVBAGLBSA-N 2 0 249.362 1.511 20 0 BDADRP O[C@@H](CC1CCCC1)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000232148656 632127996 /nfs/dbraw/zinc/12/79/96/632127996.db2.gz XGNGCFXZDFTOEX-MJBXVCDLSA-N 2 0 238.375 1.079 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C[C@@H]1C[NH3+] ZINC000229084073 632519378 /nfs/dbraw/zinc/51/93/78/632519378.db2.gz OQJWCQZFKBXCLG-VHDGCEQUSA-N 2 0 248.370 1.637 20 0 BDADRP C[C@@H]1[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)CO[C@H]1C ZINC000926559061 632531500 /nfs/dbraw/zinc/53/15/00/632531500.db2.gz LSFHVVUYDZESQS-OBJOEFQTSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCOC(C)(C)C2)CC[NH2+]1 ZINC000235368703 632680621 /nfs/dbraw/zinc/68/06/21/632680621.db2.gz QPXMERORNCXHHA-VXGBXAGGSA-N 2 0 226.364 1.485 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+](CCCCCCO)C2)C1 ZINC000310532026 632756727 /nfs/dbraw/zinc/75/67/27/632756727.db2.gz QCKDJTVQSHDEFX-AWEZNQCLSA-N 2 0 240.391 1.567 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)C1CCOCC1 ZINC000235530388 632778251 /nfs/dbraw/zinc/77/82/51/632778251.db2.gz WQNSDYCOKXUIRM-JQWIXIFHSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H]1COC[C@@H](C)C1[NH2+]CCC[NH+](C)C ZINC000924538843 632779442 /nfs/dbraw/zinc/77/94/42/632779442.db2.gz DCUKWZZMFQPZDC-GHMZBOCLSA-N 2 0 214.353 1.199 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CN3C[C@@H]2CCC3)C1 ZINC000926665695 632792887 /nfs/dbraw/zinc/79/28/87/632792887.db2.gz KJDBJNBFGDOCKS-IGQOVBAYSA-N 2 0 237.391 1.010 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c2ncnn21 ZINC000926666644 632794092 /nfs/dbraw/zinc/79/40/92/632794092.db2.gz SWFLNFXPVPELKO-YFKTTZPYSA-N 2 0 249.362 1.214 20 0 BDADRP Cc1cc(N[C@H](C)CC[NH+](C)C)nc(N)[nH+]1 ZINC000065945385 632805314 /nfs/dbraw/zinc/80/53/14/632805314.db2.gz VTZIDYRIWCWUSO-MRVPVSSYSA-N 2 0 223.324 1.119 20 0 BDADRP C[C@H](CNC(=[NH2+])NC1CCCC1)[NH+]1CCCC1 ZINC000066245323 632861988 /nfs/dbraw/zinc/86/19/88/632861988.db2.gz DFDZIFYMLQXEBJ-LLVKDONJSA-N 2 0 238.379 1.527 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCCCCCO ZINC000236216621 632899526 /nfs/dbraw/zinc/89/95/26/632899526.db2.gz PQKWESGDHDSOGZ-NWDGAFQWSA-N 2 0 214.353 1.256 20 0 BDADRP C[C@@]1(C[NH2+][C@H]2CCCc3n[nH]cc32)CCC[NH2+]C1 ZINC000335487484 635879349 /nfs/dbraw/zinc/87/93/49/635879349.db2.gz LWWGFJLWLYKEQN-GXTWGEPZSA-N 2 0 248.374 1.766 20 0 BDADRP CCN1CC[N@H+](CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000894408315 635893247 /nfs/dbraw/zinc/89/32/47/635893247.db2.gz ZLURXMFOGCORBU-ZDUSSCGKSA-N 2 0 239.407 1.354 20 0 BDADRP C[C@H]1C[C@@H]1C[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000167536033 633131628 /nfs/dbraw/zinc/13/16/28/633131628.db2.gz RWGVUDQHJUWRHB-SMDDNHRTSA-N 2 0 218.344 1.933 20 0 BDADRP COC1CCC(C[NH2+]C[C@H]2CCCN2C)CC1 ZINC000892721727 633193858 /nfs/dbraw/zinc/19/38/58/633193858.db2.gz OGBAKRJSRVTQGL-ROKHWSDSSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H](C[NH2+][C@H](C)C[C@@H]1CCOC1)C[NH+](C)C ZINC000309746010 633235360 /nfs/dbraw/zinc/23/53/60/633235360.db2.gz JDOGKEOYIYTMEH-UPJWGTAASA-N 2 0 228.380 1.589 20 0 BDADRP C[N@H+](CCC1CC[NH2+]CC1)CCn1cccn1 ZINC000090694003 636040069 /nfs/dbraw/zinc/04/00/69/636040069.db2.gz PXPNDCIUPKDXOM-UHFFFAOYSA-N 2 0 236.363 1.205 20 0 BDADRP c1csc(CC[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)c1 ZINC000328511244 633775446 /nfs/dbraw/zinc/77/54/46/633775446.db2.gz BKIZWIRQYRSFIJ-KYYPQDQFSA-N 2 0 248.395 1.877 20 0 BDADRP C[NH+](C)CCCN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925503611 633830386 /nfs/dbraw/zinc/83/03/86/633830386.db2.gz OQVZVOXORFDNRI-AGIUHOORSA-N 2 0 239.407 1.304 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000925506091 633838027 /nfs/dbraw/zinc/83/80/27/633838027.db2.gz VZHUEYUVBVVXGG-UXAWBVGHSA-N 2 0 238.375 1.395 20 0 BDADRP CC(C)[NH+](CCN[C@@H]1CC[NH2+]C1(C)C)C(C)C ZINC000925508918 633845249 /nfs/dbraw/zinc/84/52/49/633845249.db2.gz JKRUIVYDJRFVKJ-CYBMUJFWSA-N 2 0 241.423 1.835 20 0 BDADRP COCCOCCCC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925541718 633958794 /nfs/dbraw/zinc/95/87/94/633958794.db2.gz MBCZFLFAIDFELI-GFCCVEGCSA-N 2 0 244.379 1.160 20 0 BDADRP [NH3+][C@@H]1C[C@@H](N[C@@H]2CC[N@H+](CC3CC3)C2)C12CCC2 ZINC000925555169 634022330 /nfs/dbraw/zinc/02/23/30/634022330.db2.gz FRPPXAHRGHPNDL-MGPQQGTHSA-N 2 0 249.402 1.330 20 0 BDADRP CC[C@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000309982832 634024457 /nfs/dbraw/zinc/02/44/57/634024457.db2.gz ADCSSJBCUMGZCA-KBPBESRZSA-N 2 0 240.391 1.565 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCOCC2CC2)C1 ZINC000925559663 634039956 /nfs/dbraw/zinc/03/99/56/634039956.db2.gz ZZJNPRXNNXRRML-QWHCGFSZSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H](CCO)[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925610118 634146831 /nfs/dbraw/zinc/14/68/31/634146831.db2.gz CMSDJNUBCWJVRW-WHOHXGKFSA-N 2 0 226.364 1.124 20 0 BDADRP C[C@H](O)C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925610646 634147934 /nfs/dbraw/zinc/14/79/34/634147934.db2.gz IPBKKDKOVLQIOX-WCFLWFBJSA-N 2 0 226.364 1.125 20 0 BDADRP C[C@H](CCO)[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925611574 634150038 /nfs/dbraw/zinc/15/00/38/634150038.db2.gz MZEUQAYLEZGANK-BNOWGMLFSA-N 2 0 240.391 1.515 20 0 BDADRP CC(C)[NH+]1CCC(N[C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925619792 634176866 /nfs/dbraw/zinc/17/68/66/634176866.db2.gz BEBQZKNUCQYMIE-CYBMUJFWSA-N 2 0 239.407 1.589 20 0 BDADRP C[C@@H]1[C@@H]([NH+](C)C)CCN1CC[C@@H]1CCC[N@@H+]1C ZINC000931037456 634190132 /nfs/dbraw/zinc/19/01/32/634190132.db2.gz DIAWRZZVOHFLLD-RDBSUJKOSA-N 2 0 239.407 1.495 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925662393 634228655 /nfs/dbraw/zinc/22/86/55/634228655.db2.gz HQNHLSRXUFJWFN-AGIUHOORSA-N 2 0 239.407 1.576 20 0 BDADRP CCC[N@H+](CC)C[C@@H](C)N[C@@H]1CCC[NH2+][C@H]1C ZINC000925676486 634264961 /nfs/dbraw/zinc/26/49/61/634264961.db2.gz MQERRNAVSQKQCI-HZSPNIEDSA-N 2 0 241.423 1.837 20 0 BDADRP Cc1cnc(CC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)cn1 ZINC000925683698 634287809 /nfs/dbraw/zinc/28/78/09/634287809.db2.gz AHLWDJAXMQPZIM-QWHCGFSZSA-N 2 0 246.358 1.187 20 0 BDADRP C[NH2+]CCCN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925687764 634303731 /nfs/dbraw/zinc/30/37/31/634303731.db2.gz AVYINTQJRMJZIS-ZIAGYGMSSA-N 2 0 239.407 1.354 20 0 BDADRP CC1(C)[C@@H](N[C@H]2CCC[NH2+]C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925689786 634308236 /nfs/dbraw/zinc/30/82/36/634308236.db2.gz ILYAXEMWOYAZND-RNJOBUHISA-N 2 0 237.391 1.105 20 0 BDADRP CC1(C)C[C@@H]([NH2+][C@H]2CCC[C@H]2C[NH3+])C[C@@H]([NH3+])C1 ZINC000925690780 634314856 /nfs/dbraw/zinc/31/48/56/634314856.db2.gz HDXQCYJJLXPRBP-RNJOBUHISA-N 3 0 239.407 1.609 20 0 BDADRP C[C@H]([NH3+])CCN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925691788 634319054 /nfs/dbraw/zinc/31/90/54/634319054.db2.gz JUSYVQYMORMTOC-UBHSHLNASA-N 2 0 239.407 1.482 20 0 BDADRP CC(C)[NH2+]CCCN[C@H]1CC[NH2+]C12CCCC2 ZINC000925693073 634326032 /nfs/dbraw/zinc/32/60/32/634326032.db2.gz OCFQGMZEBCGRAN-ZDUSSCGKSA-N 2 0 239.407 1.639 20 0 BDADRP O[C@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925694636 634335270 /nfs/dbraw/zinc/33/52/70/634335270.db2.gz VPEGXWCPKQYKIJ-RFQIPJPRSA-N 2 0 238.375 1.268 20 0 BDADRP CC1(C)[C@@H](NC2CC[NH2+]CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925694498 634335765 /nfs/dbraw/zinc/33/57/65/634335765.db2.gz UUSNHHAIAPWHHN-AGIUHOORSA-N 2 0 237.391 1.105 20 0 BDADRP O[C@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925694640 634335890 /nfs/dbraw/zinc/33/58/90/634335890.db2.gz VPEGXWCPKQYKIJ-XJFOESAGSA-N 2 0 238.375 1.268 20 0 BDADRP CC1(C)C[C@@H](N[C@@H]2CCC[NH2+]C2)C[C@@H]([NH3+])C1 ZINC000925694377 634336748 /nfs/dbraw/zinc/33/67/48/634336748.db2.gz TXYFULPJSWCELC-UTUOFQBUSA-N 2 0 225.380 1.234 20 0 BDADRP C1CCC2(C1)[NH2+]CC[C@H]2NC1CC[NH2+]CC1 ZINC000925694370 634336865 /nfs/dbraw/zinc/33/68/65/634336865.db2.gz TXVVFESUAHXJIU-GFCCVEGCSA-N 2 0 223.364 1.003 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H](N[C@@H]2CCC[NH2+]C2)C1 ZINC000925694375 634338528 /nfs/dbraw/zinc/33/85/28/634338528.db2.gz TXYFULPJSWCELC-IJLUTSLNSA-N 2 0 225.380 1.234 20 0 BDADRP C[NH2+][C@H](C)CN[C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925698191 634363002 /nfs/dbraw/zinc/36/30/02/634363002.db2.gz CSVXPZLSMHLLLD-MDZLAQPJSA-N 2 0 221.348 1.272 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H](NC[C@H]2CC[NH2+]C2)C1 ZINC000925698188 634362889 /nfs/dbraw/zinc/36/28/89/634362889.db2.gz JJUFPDBWUHLAKX-QJPTWQEYSA-N 2 0 225.380 1.092 20 0 BDADRP CC[NH2+][C@H](C)CN[C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925698112 634363362 /nfs/dbraw/zinc/36/33/62/634363362.db2.gz BUFWYRBSZZGBPT-DYEKYZERSA-N 2 0 235.375 1.663 20 0 BDADRP CC1(C[NH2+][C@H]2CC[NH2+]C23CCC3)CC[NH2+]CC1 ZINC000925699372 634366376 /nfs/dbraw/zinc/36/63/76/634366376.db2.gz OIEUXDWUDCEXAI-LBPRGKRZSA-N 3 0 237.391 1.250 20 0 BDADRP C[C@@H]([NH3+])[C@@H](N[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000925699168 634366602 /nfs/dbraw/zinc/36/66/02/634366602.db2.gz NJUMBLDPBFECGZ-KWCYVHTRSA-N 2 0 233.359 1.417 20 0 BDADRP CCC([NH3+])(CC)CN[C@H]1CC[NH2+]C12CCCC2 ZINC000925699342 634366911 /nfs/dbraw/zinc/36/69/11/634366911.db2.gz OFQYXYFBLXZAKA-LBPRGKRZSA-N 2 0 239.407 1.768 20 0 BDADRP C[C@H]([NH3+])[C@@H](NC[C@@H]([NH3+])C1CC1)c1ccccc1 ZINC000925700013 634369028 /nfs/dbraw/zinc/36/90/28/634369028.db2.gz QXCCXROWOCXKLL-ZLKJLUDKSA-N 2 0 233.359 1.402 20 0 BDADRP C[C@H]1NCCC[C@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000925700331 634369231 /nfs/dbraw/zinc/36/92/31/634369231.db2.gz RURFPPLQABIQKQ-VXGBXAGGSA-N 2 0 225.380 1.106 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925700517 634370591 /nfs/dbraw/zinc/37/05/91/634370591.db2.gz QTPURTUBPRVSDF-JHJVBQTASA-N 2 0 237.391 1.521 20 0 BDADRP C[C@@H]([NH3+])[C@@H](N[C@@H](C)C[NH3+])c1ccccc1 ZINC000925700471 634371110 /nfs/dbraw/zinc/37/11/10/634371110.db2.gz QFEDVKODMITMGH-HOSYDEDBSA-N 2 0 207.321 1.012 20 0 BDADRP Cn1cncc1CCC[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000314834883 635237862 /nfs/dbraw/zinc/23/78/62/635237862.db2.gz GFQQFWATTOECCY-GFCCVEGCSA-N 2 0 236.363 1.023 20 0 BDADRP COCC[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925785998 635301062 /nfs/dbraw/zinc/30/10/62/635301062.db2.gz RCXBMZQSHWBDAC-MQYQWHSLSA-N 2 0 240.391 1.637 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000925802388 635351023 /nfs/dbraw/zinc/35/10/23/635351023.db2.gz FXFNFBJIKWXEIZ-NQBHXWOUSA-N 2 0 248.374 1.622 20 0 BDADRP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccncc1 ZINC000925814591 635378350 /nfs/dbraw/zinc/37/83/50/635378350.db2.gz KEAAKPPPGQNLEJ-LBPRGKRZSA-N 2 0 248.374 1.155 20 0 BDADRP CC[C@H]1CCC[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925814913 635380980 /nfs/dbraw/zinc/38/09/80/635380980.db2.gz MYYDTUZQJULZPW-JSGCOSHPSA-N 2 0 239.407 1.578 20 0 BDADRP [NH3+]C1CCN(CC[NH2+][C@H]2CCC23CCC3)CC1 ZINC000925816877 635387019 /nfs/dbraw/zinc/38/70/19/635387019.db2.gz KQKWBHJSXPIQSF-ZDUSSCGKSA-N 2 0 237.391 1.332 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000925856772 635547066 /nfs/dbraw/zinc/54/70/66/635547066.db2.gz LBEMFUQCQLBLAQ-RYUDHWBXSA-N 2 0 214.353 1.269 20 0 BDADRP CC[C@@]1(C)C[N@H+](CC2CC[NH+](C)CC2)CCO1 ZINC000893907496 635638725 /nfs/dbraw/zinc/63/87/25/635638725.db2.gz MEBOZTXINYRFND-AWEZNQCLSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)C(C)(C)CO ZINC000924962343 635808566 /nfs/dbraw/zinc/80/85/66/635808566.db2.gz FDAUWFGIPNBCFD-NSHDSACASA-N 2 0 228.380 1.325 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+]CC2CC[NH+](C)CC2)C1 ZINC000054242796 636240324 /nfs/dbraw/zinc/24/03/24/636240324.db2.gz CYEHGKGZCKPKMN-AWEZNQCLSA-N 3 0 239.407 1.260 20 0 BDADRP C[NH+]1CCC(C[NH2+]C2(CO)CCCCC2)CC1 ZINC000054243967 636244929 /nfs/dbraw/zinc/24/49/29/636244929.db2.gz JDNAUORCQOZYGE-UHFFFAOYSA-N 2 0 240.391 1.613 20 0 BDADRP Cc1cccc(C[NH2+]CC2CC[NH+](C)CC2)n1 ZINC000054243895 636245182 /nfs/dbraw/zinc/24/51/82/636245182.db2.gz MZWQOYGKXNDCSD-UHFFFAOYSA-N 2 0 233.359 1.821 20 0 BDADRP Cc1c[nH+]ccc1N1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000896912905 636254623 /nfs/dbraw/zinc/25/46/23/636254623.db2.gz IWTHQLUGGPPDRO-OCCSQVGLSA-N 2 0 231.343 1.778 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCCS1 ZINC000925258485 636544370 /nfs/dbraw/zinc/54/43/70/636544370.db2.gz PAEKVTZRPKBZHM-FXJUQPSGSA-N 2 0 240.416 1.812 20 0 BDADRP CC[C@H](C)[N@H+](C)CCNC(=[NH2+])N[C@H]1C[C@@H]1C ZINC000864455907 636761413 /nfs/dbraw/zinc/76/14/13/636761413.db2.gz ATNBRVGVCDYDNS-DCAQKATOSA-N 2 0 226.368 1.239 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]C2CC(CCO)C2)[C@@H](C)C1 ZINC000898010410 636851642 /nfs/dbraw/zinc/85/16/42/636851642.db2.gz GDESALSWIMXMDM-GFJIZPEISA-N 2 0 240.391 1.467 20 0 BDADRP C[N@@H+]1CC[C@@H]2CN(CCCCCC[NH3+])CC[C@H]21 ZINC000866703054 636930774 /nfs/dbraw/zinc/93/07/74/636930774.db2.gz FBQJBXSEHSRPOW-ZIAGYGMSSA-N 2 0 239.407 1.532 20 0 BDADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@H]1CCCCO1 ZINC000054602362 637036221 /nfs/dbraw/zinc/03/62/21/637036221.db2.gz DPKIPJBIFBQZDN-WTUNAVPPSA-N 2 0 238.375 1.900 20 0 BDADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2C[C@H](CO)C2)CC1 ZINC000927151827 637062245 /nfs/dbraw/zinc/06/22/45/637062245.db2.gz ZKFDLIJAGXFWED-AULYBMBSSA-N 2 0 240.391 1.610 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902362804 637297954 /nfs/dbraw/zinc/29/79/54/637297954.db2.gz ZWMJQLFIRHRDPM-JSGCOSHPSA-N 2 0 242.407 1.905 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H](CCO)C2CC2)C1 ZINC000902363081 637300084 /nfs/dbraw/zinc/30/00/84/637300084.db2.gz UCGSFOMKGFYKHV-STQMWFEESA-N 2 0 240.391 1.515 20 0 BDADRP COC1CCC([N@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903437954 637361701 /nfs/dbraw/zinc/36/17/01/637361701.db2.gz OYKVNXKMFRGEAH-KBHBFKLGSA-N 2 0 240.391 1.731 20 0 BDADRP CCCC[N@H+](CCOC)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903438426 637363167 /nfs/dbraw/zinc/36/31/67/637363167.db2.gz VJLQZKYWAGNEJS-OLZOCXBDSA-N 2 0 228.380 1.862 20 0 BDADRP CC(C)(C)OC[C@@H]1CCC[N@@H+]1CCOCC[NH3+] ZINC000903565240 637372130 /nfs/dbraw/zinc/37/21/30/637372130.db2.gz HLHPMLLOZBWZGM-LBPRGKRZSA-N 2 0 244.379 1.241 20 0 BDADRP Cc1cn(C)nc1C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000903789633 637384289 /nfs/dbraw/zinc/38/42/89/637384289.db2.gz YPZGYMZHAKKUSN-PWSUYJOCSA-N 2 0 236.363 1.145 20 0 BDADRP C[C@H]1C[C@@H](C[NH2+]Cc2cncc(O)c2)CC[NH2+]1 ZINC000904433318 637399641 /nfs/dbraw/zinc/39/96/41/637399641.db2.gz LFCORPMGYCAMFA-QWRGUYRKSA-N 2 0 235.331 1.265 20 0 BDADRP C1=C(CN2CC[C@]3(C2)CCCC[NH2+]3)COCC1 ZINC000904430963 637400874 /nfs/dbraw/zinc/40/08/74/637400874.db2.gz VCTCAYXNNJOQPE-AWEZNQCLSA-N 2 0 236.359 1.551 20 0 BDADRP CC1(C)C[NH2+]C[C@@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000904460889 637420678 /nfs/dbraw/zinc/42/06/78/637420678.db2.gz BHDNKUMXWYLZHY-WVMKXHBISA-N 2 0 237.391 1.105 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000904458092 637421268 /nfs/dbraw/zinc/42/12/68/637421268.db2.gz BDQAYLFGRGDEPE-BPLDGKMQSA-N 2 0 247.386 1.574 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+][C@@H]1COC[C@H]1C1CC1 ZINC000904477382 637428051 /nfs/dbraw/zinc/42/80/51/637428051.db2.gz VEMNJQIZDHDNPP-RWMBFGLXSA-N 2 0 226.364 1.374 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)Nc1ccccc1C[NH2+]C ZINC000904926296 637528965 /nfs/dbraw/zinc/52/89/65/637528965.db2.gz SJXDYUNYAFAFTH-CQSZACIVSA-N 2 0 249.358 1.862 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000904931427 637533561 /nfs/dbraw/zinc/53/35/61/637533561.db2.gz KZRPTDBRMNHMOV-WCQYABFASA-N 2 0 241.379 1.234 20 0 BDADRP C[N@H+](Cc1cn(CCCC[NH3+])nn1)C(C)(C)C ZINC000905056511 637589808 /nfs/dbraw/zinc/58/98/08/637589808.db2.gz CIRXRCKYDTUOLW-UHFFFAOYSA-N 2 0 239.367 1.247 20 0 BDADRP CC(C)[NH2+]Cc1cn(-c2cccc(C[NH3+])c2)nn1 ZINC000905059501 637591287 /nfs/dbraw/zinc/59/12/87/637591287.db2.gz STUJWUSZVOKWAR-UHFFFAOYSA-N 2 0 245.330 1.224 20 0 BDADRP C[C@@H]([NH3+])[C@@H](C)c1nc(CC2CC[NH2+]CC2)no1 ZINC000905312679 637740616 /nfs/dbraw/zinc/74/06/16/637740616.db2.gz DCRJDBKBAZWUHF-RKDXNWHRSA-N 2 0 238.335 1.062 20 0 BDADRP [NH3+]Cc1ccccc1-c1nc(C2([NH3+])CCC2)no1 ZINC000905305312 637762079 /nfs/dbraw/zinc/76/20/79/637762079.db2.gz SISAUKHYHZPYJZ-UHFFFAOYSA-N 2 0 244.298 1.533 20 0 BDADRP [NH3+]C1(c2noc([C@@H]3[C@@H]4CC[NH2+]C[C@@H]43)n2)CCCC1 ZINC000905304781 637762707 /nfs/dbraw/zinc/76/27/07/637762707.db2.gz HTPYMLSEPLWDGM-KXUCPTDWSA-N 2 0 248.330 1.121 20 0 BDADRP Cc1cccc([C@@H](O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000905916108 637972055 /nfs/dbraw/zinc/97/20/55/637972055.db2.gz XXJMZJKIVWSFFL-ZNMIVQPWSA-N 2 0 246.354 1.180 20 0 BDADRP CCOc1cccc(CNC2CC([NH3+])C2)n1 ZINC000906509563 638180940 /nfs/dbraw/zinc/18/09/40/638180940.db2.gz JODQPFMQFQCQLM-UHFFFAOYSA-N 2 0 221.304 1.060 20 0 BDADRP CC(=O)Nc1ccccc1CNC1CC([NH3+])C1 ZINC000906509541 638181405 /nfs/dbraw/zinc/18/14/05/638181405.db2.gz IKBDKTNBFWQEAV-UHFFFAOYSA-N 2 0 233.315 1.224 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CNC1CC([NH3+])C1 ZINC000906510902 638184076 /nfs/dbraw/zinc/18/40/76/638184076.db2.gz NQXHXXHDCVLRBL-WHXUTIOJSA-N 2 0 213.369 1.219 20 0 BDADRP Cc1ccc(CCC[NH2+]C2CC([NH3+])C2)cn1 ZINC000906510458 638184268 /nfs/dbraw/zinc/18/42/68/638184268.db2.gz IXCNHONANQNFQV-UHFFFAOYSA-N 2 0 219.332 1.402 20 0 BDADRP C[C@H](C[NH2+][C@H]1C[C@H]([NH3+])C1)Cc1ccccc1 ZINC000906517730 638187625 /nfs/dbraw/zinc/18/76/25/638187625.db2.gz OBXUYIBPPCCRHG-UBHSHLNASA-N 2 0 218.344 1.945 20 0 BDADRP CC1(C)Cc2cc(C[NH2+][C@H]3C[C@H]([NH3+])C3)ccc2O1 ZINC000906518361 638188433 /nfs/dbraw/zinc/18/84/33/638188433.db2.gz XFRJTBYCDHPYFO-JOCQHMNTSA-N 2 0 246.354 1.979 20 0 BDADRP CC[N@H+](CCC[NH3+])CCc1ccccn1 ZINC000037662351 711467226 /nfs/dbraw/zinc/46/72/26/711467226.db2.gz CTEPZPRRQBNHSM-UHFFFAOYSA-N 2 0 207.321 1.295 20 0 BDADRP CC[C@@H](C)C[C@@H]([NH3+])C(=O)N(C)CC(C)(C)C[NH3+] ZINC000911867867 639853236 /nfs/dbraw/zinc/85/32/36/639853236.db2.gz NVCMDZGZFDHHMS-GHMZBOCLSA-N 2 0 243.395 1.193 20 0 BDADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)CC(C)(C)C[NH3+] ZINC000911869771 639853580 /nfs/dbraw/zinc/85/35/80/639853580.db2.gz CJXDPGNHCFWSBU-LLVKDONJSA-N 2 0 243.395 1.193 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)CC2CC([NH3+])C2)cc1 ZINC000911845412 639854321 /nfs/dbraw/zinc/85/43/21/639854321.db2.gz KGBFNYPBOLNYET-GRZMOONWSA-N 2 0 247.342 1.772 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)c1ccccc1C[NH3+] ZINC000911880406 639866681 /nfs/dbraw/zinc/86/66/81/639866681.db2.gz VHEHUBOPAYVOEA-GFCCVEGCSA-N 2 0 249.358 1.393 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]([NH3+])C[C@@H](C)CC ZINC000911881401 639866884 /nfs/dbraw/zinc/86/68/84/639866884.db2.gz QXQKOOSLAAHFTP-QJPTWQEYSA-N 2 0 243.395 1.384 20 0 BDADRP C[C@@H]1COC[C@@H]1[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000924844605 640003135 /nfs/dbraw/zinc/00/31/35/640003135.db2.gz VUKARYKENYRRHU-RISCZKNCSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@H](C1CC1)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000931066263 640052402 /nfs/dbraw/zinc/05/24/02/640052402.db2.gz HRZIVFZWHHXMNQ-BXUZGUMPSA-N 2 0 238.375 1.316 20 0 BDADRP CO[C@H]1C[C@@H](C[NH+]2CCC(C)([NH+](C)C)CC2)C1 ZINC000931355728 640167856 /nfs/dbraw/zinc/16/78/56/640167856.db2.gz VLPROBNHSYYMHI-BETUJISGSA-N 2 0 240.391 1.828 20 0 BDADRP CCCCOCC[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931433250 640203902 /nfs/dbraw/zinc/20/39/02/640203902.db2.gz UXKRWXZVKUEGNE-UONOGXRCSA-N 2 0 240.391 1.687 20 0 BDADRP CC[C@@H]1C[C@H]1C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931442268 640205550 /nfs/dbraw/zinc/20/55/50/640205550.db2.gz ADCFASXXTZEDHQ-ZOBORPQBSA-N 2 0 222.376 1.916 20 0 BDADRP CC/C=C\CC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931482215 640233431 /nfs/dbraw/zinc/23/34/31/640233431.db2.gz SBOQQXZCNJZYMD-WAYWQWQTSA-N 2 0 240.391 1.731 20 0 BDADRP COC/C(C)=C/CN1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000931547801 640268250 /nfs/dbraw/zinc/26/82/50/640268250.db2.gz SXSUORBFYONINC-QSTROWBPSA-N 2 0 238.375 1.605 20 0 BDADRP C[C@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)CCO1 ZINC000932346145 640489057 /nfs/dbraw/zinc/48/90/57/640489057.db2.gz FUKJKCGCHIXKHW-STQMWFEESA-N 2 0 226.364 1.582 20 0 BDADRP CC(C)CNC(=[NH2+])NCC1([NH+](C)C)CCC1 ZINC000165124180 640539570 /nfs/dbraw/zinc/53/95/70/640539570.db2.gz PTIKYZQMEPQMOO-UHFFFAOYSA-N 2 0 226.368 1.241 20 0 BDADRP Cc1c(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cnn1C ZINC000226299292 640745446 /nfs/dbraw/zinc/74/54/46/640745446.db2.gz KBLWNZRNRPYUCU-NEPJUHHUSA-N 2 0 222.336 1.088 20 0 BDADRP Cn1cc(CC[N@H+](C)C2CCC([NH3+])CC2)cn1 ZINC000226429195 640764187 /nfs/dbraw/zinc/76/41/87/640764187.db2.gz BWCZSNJLSKXLCL-UHFFFAOYSA-N 2 0 236.363 1.164 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCCCCCO)C1 ZINC000226540792 640773407 /nfs/dbraw/zinc/77/34/07/640773407.db2.gz KXTHJEVRMWPTET-RYUDHWBXSA-N 2 0 214.353 1.208 20 0 BDADRP CC(C)CNC(=[NH2+])NCC1(C)CC[NH+](C)CC1 ZINC000227197313 640819675 /nfs/dbraw/zinc/81/96/75/640819675.db2.gz MHBQPBXBWCEUQK-UHFFFAOYSA-N 2 0 240.395 1.488 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)C1 ZINC000228018325 640855066 /nfs/dbraw/zinc/85/50/66/640855066.db2.gz KJQXOSLTMYKIMT-WUHRBBMRSA-N 2 0 208.349 1.846 20 0 BDADRP CSCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000228873827 640901908 /nfs/dbraw/zinc/90/19/08/640901908.db2.gz VVFZEPCBIGXUOM-HBNTYKKESA-N 2 0 216.394 1.988 20 0 BDADRP Cc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)nc1 ZINC000229059864 640919904 /nfs/dbraw/zinc/91/99/04/640919904.db2.gz MHWZGAXTMRKIOR-STQMWFEESA-N 2 0 233.359 1.807 20 0 BDADRP CCOC[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000087646992 640956306 /nfs/dbraw/zinc/95/63/06/640956306.db2.gz AWCQCFXGSALNAL-WDEREUQCSA-N 2 0 200.326 1.001 20 0 BDADRP C[C@H]1C[N@H+](CCCCCC[NH3+])CCCO1 ZINC000061934512 641008583 /nfs/dbraw/zinc/00/85/83/641008583.db2.gz NOYXKENRIFNVCB-LBPRGKRZSA-N 2 0 214.353 1.616 20 0 BDADRP C[C@@H](C[NH2+][C@H]1CCSC1)C[NH+]1CCCC1 ZINC000062077974 641018271 /nfs/dbraw/zinc/01/82/71/641018271.db2.gz NQXHLOLIGDCGFR-RYUDHWBXSA-N 2 0 228.405 1.813 20 0 BDADRP C[C@H](CNC(=[NH2+])NC(C)(C)C)C[NH+]1CCCC1 ZINC000062072488 641019124 /nfs/dbraw/zinc/01/91/24/641019124.db2.gz ADMZPNBLHROUBO-LLVKDONJSA-N 2 0 240.395 1.631 20 0 BDADRP CO[C@H]1CC[C@H]1[N@H+](C)CCC[NH+]1CCCCC1 ZINC000934119608 641084133 /nfs/dbraw/zinc/08/41/33/641084133.db2.gz XSUPHLNALRFLKJ-KGLIPLIRSA-N 2 0 240.391 1.972 20 0 BDADRP C[C@]1(C[NH2+]C[C@H]2CCCCO2)CCC[NH2+]C1 ZINC000062862863 641101632 /nfs/dbraw/zinc/10/16/32/641101632.db2.gz LTTXGWPKMBSDAC-OLZOCXBDSA-N 2 0 226.364 1.535 20 0 BDADRP CCOCC[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000087979753 641205991 /nfs/dbraw/zinc/20/59/91/641205991.db2.gz BCDNUHRKCWWQOE-LLVKDONJSA-N 2 0 200.326 1.097 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCSC(F)(F)F ZINC000231940090 641216038 /nfs/dbraw/zinc/21/60/38/641216038.db2.gz VUXLGQRQFKHDCF-JGVFFNPUSA-N 2 0 242.310 1.956 20 0 BDADRP CC(C)[C@H](C[NH3+])C[NH2+]C1CCC([NH3+])CC1 ZINC000230943677 641383157 /nfs/dbraw/zinc/38/31/57/641383157.db2.gz LEMZZGFMCDNVSA-VOMCLLRMSA-N 3 0 213.369 1.077 20 0 BDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)CCCCC[NH3+] ZINC000155641177 641575601 /nfs/dbraw/zinc/57/56/01/641575601.db2.gz GDONFELUKKAKGZ-GFCCVEGCSA-N 2 0 243.395 1.352 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@H+](CC2(O)CCCCC2)C1 ZINC000156072385 641592953 /nfs/dbraw/zinc/59/29/53/641592953.db2.gz NDOBZSKSSZZGDP-ZDUSSCGKSA-N 2 0 240.391 1.565 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC1(CCO)CC1 ZINC000156741381 641610482 /nfs/dbraw/zinc/61/04/82/641610482.db2.gz CVKCXMJDZZCYSN-RYUDHWBXSA-N 2 0 226.364 1.256 20 0 BDADRP C[C@@H]1CN(C(=O)CCCCCC[NH3+])C[C@@H](C)[NH2+]1 ZINC000153218290 641731857 /nfs/dbraw/zinc/73/18/57/641731857.db2.gz YKYPMVUXUJNVNT-VXGBXAGGSA-N 2 0 241.379 1.104 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cccc(F)c2)C1 ZINC000075150851 641746195 /nfs/dbraw/zinc/74/61/95/641746195.db2.gz ASAPAGRLRBCUNK-LLVKDONJSA-N 2 0 222.307 1.996 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)CCCCC[NH3+] ZINC000154133153 641966782 /nfs/dbraw/zinc/96/67/82/641966782.db2.gz OKRDDRHTLAUFKS-RYUDHWBXSA-N 2 0 241.379 1.234 20 0 BDADRP C[N@H+](Cc1cccc2c1CC[NH2+]C2)[C@@H]1CCOC1 ZINC000124012339 642428026 /nfs/dbraw/zinc/42/80/26/642428026.db2.gz UKAGUQOKVALELL-CQSZACIVSA-N 2 0 246.354 1.553 20 0 BDADRP CCCN(CC[NH+](CC)CC)C[C@@H]1CCC[NH2+]1 ZINC000233056003 642649755 /nfs/dbraw/zinc/64/97/55/642649755.db2.gz MWCXCNHVLYIKEU-AWEZNQCLSA-N 2 0 241.423 1.792 20 0 BDADRP CCN1CC[NH+](C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000233483072 642674503 /nfs/dbraw/zinc/67/45/03/642674503.db2.gz GNJAIKJDWSQILP-STQMWFEESA-N 2 0 225.380 1.012 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+]CC2([NH3+])CCC2)C1(C)C ZINC000233769669 642693470 /nfs/dbraw/zinc/69/34/70/642693470.db2.gz HEWGKXKIYRYGRK-MNOVXSKESA-N 2 0 226.364 1.661 20 0 BDADRP COCC1CC[NH+](C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000070084587 642970006 /nfs/dbraw/zinc/97/00/06/642970006.db2.gz BROQQOBMHRIOAG-CQSZACIVSA-N 2 0 240.391 1.735 20 0 BDADRP Cc1cc(N[C@@H](C)CC[NH+](C)C)nc(N)[nH+]1 ZINC000082261475 643286385 /nfs/dbraw/zinc/28/63/85/643286385.db2.gz VTZIDYRIWCWUSO-QMMMGPOBSA-N 2 0 223.324 1.119 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)CC1CCOCC1 ZINC000082560969 643343506 /nfs/dbraw/zinc/34/35/06/643343506.db2.gz LBYDRGZDIBPBGP-YPMHNXCESA-N 2 0 226.364 1.200 20 0 BDADRP [NH3+]CCCCCCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000843387043 643362761 /nfs/dbraw/zinc/36/27/61/643362761.db2.gz OAJCNBXGBAPRDE-KGLIPLIRSA-N 3 0 239.407 1.579 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1NCC[NH+]1CCCCC1 ZINC000084220874 643649938 /nfs/dbraw/zinc/64/99/38/643649938.db2.gz ZOOOPSILCRNBDZ-STQMWFEESA-N 2 0 225.380 1.189 20 0 BDADRP C[N@H+](Cc1nccs1)C1CCC([NH3+])CC1 ZINC000087393830 643656352 /nfs/dbraw/zinc/65/63/52/643656352.db2.gz KISRICRBFFFSEJ-UHFFFAOYSA-N 2 0 225.361 1.845 20 0 BDADRP Cc1nc(C[NH2+]CC[C@H]2CC[NH2+]C2)cs1 ZINC000084385326 643660170 /nfs/dbraw/zinc/66/01/70/643660170.db2.gz MVLBWGRPYOCIJN-SNVBAGLBSA-N 2 0 225.361 1.541 20 0 BDADRP CC(C)[N@H+](C)CCNC(=[NH2+])NC1CCCC1 ZINC000054108810 643666196 /nfs/dbraw/zinc/66/61/96/643666196.db2.gz WXMGNGSMDNLBIN-UHFFFAOYSA-N 2 0 226.368 1.383 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C[C@@H]2CCC=CO2)C1 ZINC000050269472 643673004 /nfs/dbraw/zinc/67/30/04/643673004.db2.gz NPFLSUMEJCTTDD-KBPBESRZSA-N 2 0 238.375 1.999 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC000087790471 643675419 /nfs/dbraw/zinc/67/54/19/643675419.db2.gz KMSNIYOGTXXQKL-UPJWGTAASA-N 2 0 224.348 1.238 20 0 BDADRP C[N@H+](Cc1ccno1)C1CCC([NH3+])CC1 ZINC000085870102 643824590 /nfs/dbraw/zinc/82/45/90/643824590.db2.gz ADJUXUQPALCLEY-UHFFFAOYSA-N 2 0 209.293 1.376 20 0 BDADRP c1n[nH]cc1C1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420323738 643863324 /nfs/dbraw/zinc/86/33/24/643863324.db2.gz USOMNPWDZKZIIY-GFCCVEGCSA-N 2 0 248.374 1.589 20 0 BDADRP C[NH+]1CCC(C[NH2+]C[C@@H]2CCCC[C@H]2O)CC1 ZINC000085966140 643865822 /nfs/dbraw/zinc/86/58/22/643865822.db2.gz KSUUTHUGEINBQE-UONOGXRCSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@H](CC[NH2+]Cc1cc[nH]c(=O)c1)[NH+](C)C ZINC000922255920 643926182 /nfs/dbraw/zinc/92/61/82/643926182.db2.gz YUWRBBMPBWPHFF-SNVBAGLBSA-N 2 0 223.320 1.217 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CCSCC1 ZINC000925364454 644155132 /nfs/dbraw/zinc/15/51/32/644155132.db2.gz TVATXOIDUORHBK-QYJAPNMZSA-N 2 0 240.416 1.812 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H](O)CCC(C)C)C1 ZINC000923280549 644315145 /nfs/dbraw/zinc/31/51/45/644315145.db2.gz BOMXGPHNQKFSLG-KBPBESRZSA-N 2 0 242.407 1.715 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](C[C@H](O)CCC(C)C)C1 ZINC000923285118 644317174 /nfs/dbraw/zinc/31/71/74/644317174.db2.gz ABHPJBUVBLSZQT-CHWSQXEVSA-N 2 0 228.380 1.325 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC000923288868 644324717 /nfs/dbraw/zinc/32/47/17/644324717.db2.gz CYMMCAVXNZSWRO-GJZGRUSLSA-N 2 0 248.370 1.131 20 0 BDADRP CC[C@H]1CCCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923299956 644325639 /nfs/dbraw/zinc/32/56/39/644325639.db2.gz KDELNESDAJMFBM-QWHCGFSZSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923299983 644326289 /nfs/dbraw/zinc/32/62/89/644326289.db2.gz KMUILTYWRCTQLR-UPJWGTAASA-N 2 0 238.375 1.628 20 0 BDADRP CC(C)CC[C@H](O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000923293838 644328154 /nfs/dbraw/zinc/32/81/54/644328154.db2.gz CUERWDDPIZLBIO-RUXDESIVSA-N 2 0 242.407 1.985 20 0 BDADRP C[C@H]1CN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC000923292502 644328875 /nfs/dbraw/zinc/32/88/75/644328875.db2.gz YRLKWGYZASMEJQ-FUDCBSFHSA-N 2 0 237.391 1.201 20 0 BDADRP OCC[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000923303918 644341379 /nfs/dbraw/zinc/34/13/79/644341379.db2.gz LZSJPNRFVONLIE-YHWZYXNKSA-N 2 0 238.375 1.364 20 0 BDADRP Cc1cccc(C[N@@H+](C)[C@H]2C[C@H]([NH3+])C[C@@H]2O)c1 ZINC000923303344 644341553 /nfs/dbraw/zinc/34/15/53/644341553.db2.gz CFFKYEIZJCWNOM-IHRRRGAJSA-N 2 0 234.343 1.277 20 0 BDADRP CC[C@]1(C)CC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923315964 644344841 /nfs/dbraw/zinc/34/48/41/644344841.db2.gz AEVARYZDGBIKRR-CHWSQXEVSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@@H]1CC[C@@H](C)[NH+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923317938 644345123 /nfs/dbraw/zinc/34/51/23/644345123.db2.gz HEORFABTWMTCKF-UTUOFQBUSA-N 2 0 224.348 1.238 20 0 BDADRP Cc1cccc2c1CC[N@@H+]([C@H]1C[C@H]([NH3+])C[C@@H]1O)C2 ZINC000923311781 644346108 /nfs/dbraw/zinc/34/61/08/644346108.db2.gz WNCGWRIQJMFOEH-QEJZJMRPSA-N 2 0 246.354 1.204 20 0 BDADRP CC(C)CC[C@H](O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000923330978 644349178 /nfs/dbraw/zinc/34/91/78/644349178.db2.gz DXVNKDXALYSJOP-XUXIUFHCSA-N 2 0 240.391 1.453 20 0 BDADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2CCC[NH2+]C1CC1 ZINC000923329859 644350576 /nfs/dbraw/zinc/35/05/76/644350576.db2.gz QLDTVVQMZVYDPS-QXMXGUDHSA-N 2 0 237.391 1.473 20 0 BDADRP CN(CCC[NH2+]C1CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000923322822 644352489 /nfs/dbraw/zinc/35/24/89/644352489.db2.gz ABGQPRGLXWOQNU-AWEZNQCLSA-N 2 0 237.391 1.297 20 0 BDADRP CC(C)CC[C@@H](O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000923348594 644361095 /nfs/dbraw/zinc/36/10/95/644361095.db2.gz IIAPJZBVFKQCOZ-ZIAGYGMSSA-N 2 0 242.407 1.844 20 0 BDADRP CCOCCOCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000923346452 644364033 /nfs/dbraw/zinc/36/40/33/644364033.db2.gz XZPOOYSZNRGUBX-QWHCGFSZSA-N 2 0 244.379 1.099 20 0 BDADRP CC[C@H](NC(C[NH3+])C[NH3+])c1ccc(F)cc1F ZINC000923352308 644369701 /nfs/dbraw/zinc/36/97/01/644369701.db2.gz ULFIVVOZTBSVQB-LBPRGKRZSA-N 2 0 243.301 1.292 20 0 BDADRP OC[C@@H]1CCC[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923364812 644375750 /nfs/dbraw/zinc/37/57/50/644375750.db2.gz OZJDWDSAXUBWFV-GSPSYOTPSA-N 2 0 238.375 1.364 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]1NCCC[NH2+]C1CC1 ZINC000923370952 644384242 /nfs/dbraw/zinc/38/42/42/644384242.db2.gz SHRNZZQVEWXJAS-LBPRGKRZSA-N 2 0 225.380 1.106 20 0 BDADRP CC[N@@H+]1C[C@H](C)N(CCC[NH2+]C2CC2)C[C@@H]1C ZINC000923373853 644388646 /nfs/dbraw/zinc/38/86/46/644388646.db2.gz UQMUCWUOQCTHSW-STQMWFEESA-N 2 0 239.407 1.543 20 0 BDADRP CC(C)[C@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923376432 644390911 /nfs/dbraw/zinc/39/09/11/644390911.db2.gz AWDCEWYIXCJRSI-NDKCEZKHSA-N 2 0 240.391 1.641 20 0 BDADRP CC[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923376388 644391524 /nfs/dbraw/zinc/39/15/24/644391524.db2.gz ANMNFIBGVGKNMP-LVEVGFFFSA-N 2 0 212.337 1.005 20 0 BDADRP C[NH2+]CCC[N@H+](C)C[C@H](O)CCC(C)C ZINC000923379085 644392016 /nfs/dbraw/zinc/39/20/16/644392016.db2.gz ODVRNIGTARRYRL-GFCCVEGCSA-N 2 0 216.369 1.325 20 0 BDADRP CC[C@@H](C)[N@H+](CC)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923386169 644399764 /nfs/dbraw/zinc/39/97/64/644399764.db2.gz GCODKLOQNGWNCX-NEPJUHHUSA-N 2 0 226.364 1.485 20 0 BDADRP CSC[C@@H](O)C[N@H+](C)C1(C[NH3+])CCCCC1 ZINC000923424791 644418566 /nfs/dbraw/zinc/41/85/66/644418566.db2.gz ZCAWADCTECNPCM-NSHDSACASA-N 2 0 246.420 1.304 20 0 BDADRP C(C[NH2+]C1CC1)C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000923426031 644418603 /nfs/dbraw/zinc/41/86/03/644418603.db2.gz BKZVXUPJCLADLO-OCCSQVGLSA-N 2 0 238.375 1.629 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]C[C@@H](O)CC(F)(F)F ZINC000923423192 644419621 /nfs/dbraw/zinc/41/96/21/644419621.db2.gz VTXAQCNHGRFQSK-XLPZGREQSA-N 2 0 240.269 1.015 20 0 BDADRP C[C@@H](C[N@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O)C(C)(C)C ZINC000923423359 644419672 /nfs/dbraw/zinc/41/96/72/644419672.db2.gz BKRWXFBPXWXKPP-BJDJZHNGSA-N 2 0 228.380 1.451 20 0 BDADRP FC[C@@H]1CCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923425504 644420606 /nfs/dbraw/zinc/42/06/06/644420606.db2.gz ZPNNDTFWKJEJEE-NWDGAFQWSA-N 2 0 242.338 1.046 20 0 BDADRP C[C@H]1CN[C@@H](C)[C@H](C)[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000923437502 644423849 /nfs/dbraw/zinc/42/38/49/644423849.db2.gz SLGUGECBYCAQPS-XDQVBPFNSA-N 2 0 239.407 1.447 20 0 BDADRP C[C@@H]1CN[C@@H](C)[C@H](C)[N@H+]1CCCCCCC[NH3+] ZINC000923436568 644427818 /nfs/dbraw/zinc/42/78/18/644427818.db2.gz PBJPOBRKRNIFID-RDBSUJKOSA-N 2 0 241.423 1.966 20 0 BDADRP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(F)(C2CC2)CC1 ZINC000923443033 644434701 /nfs/dbraw/zinc/43/47/01/644434701.db2.gz RRVDLJUOHNYZJH-GFCCVEGCSA-N 2 0 244.354 1.171 20 0 BDADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CC1CC1)CC2 ZINC000923451447 644440137 /nfs/dbraw/zinc/44/01/37/644440137.db2.gz NSUBKQUYAMGNFB-GFCCVEGCSA-N 2 0 224.348 1.226 20 0 BDADRP Cn1ccc(C[NH2+]C2CCC([NH3+])CC2)c1 ZINC000085604179 644442850 /nfs/dbraw/zinc/44/28/50/644442850.db2.gz AURSDJRPISBCBM-UHFFFAOYSA-N 2 0 207.321 1.385 20 0 BDADRP CCCCCC[N@@H+]1CCNCC[NH2+]CC1 ZINC000923465262 644443576 /nfs/dbraw/zinc/44/35/76/644443576.db2.gz AOJIFLZHUUQIJF-UHFFFAOYSA-N 2 0 213.369 1.062 20 0 BDADRP CO[C@@H](C[N@@H+]1CC[C@@H](CC[NH3+])C1)C1CCCC1 ZINC000923481345 644459210 /nfs/dbraw/zinc/45/92/10/644459210.db2.gz QKJULEDYNNTYRY-OCCSQVGLSA-N 2 0 240.391 1.862 20 0 BDADRP CN1CCC[C@H]1C[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000086189388 644459581 /nfs/dbraw/zinc/45/95/81/644459581.db2.gz FPASCJKSGOYHLY-AGIUHOORSA-N 2 0 225.380 1.140 20 0 BDADRP CCOc1ccc(C[N@@H+]2CC[C@H](CC[NH3+])C2)nc1 ZINC000923482648 644459699 /nfs/dbraw/zinc/45/96/99/644459699.db2.gz GYQJLGAPGIDBDE-LBPRGKRZSA-N 2 0 249.358 1.651 20 0 BDADRP [NH3+]CCCCCCC[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923483513 644460469 /nfs/dbraw/zinc/46/04/69/644460469.db2.gz BGPLUGJIZQFNIQ-CYBMUJFWSA-N 3 0 227.396 1.566 20 0 BDADRP Cc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)ccn1 ZINC000923491910 644467423 /nfs/dbraw/zinc/46/74/23/644467423.db2.gz VBKLJTVCZSWWPG-RISCZKNCSA-N 2 0 233.359 1.807 20 0 BDADRP C[C@@H]1C[N@H+](Cc2coc(C3CC3)n2)CC[C@H]1C[NH3+] ZINC000923492628 644468232 /nfs/dbraw/zinc/46/82/32/644468232.db2.gz YATVIFPPBOBGQK-PWSUYJOCSA-N 2 0 249.358 1.969 20 0 BDADRP C[C@H]1C[N@H+](Cc2cc3n(n2)CCC3)CC[C@@H]1C[NH3+] ZINC000923494910 644469855 /nfs/dbraw/zinc/46/98/55/644469855.db2.gz QLSWUASYYNRDSC-NWDGAFQWSA-N 2 0 248.374 1.246 20 0 BDADRP C[C@H]1C[N@H+](CCC[NH2+]C2CC2)CC[C@H]1C[NH3+] ZINC000923494526 644470515 /nfs/dbraw/zinc/47/05/15/644470515.db2.gz YLXVZBFQQZDRSK-RYUDHWBXSA-N 3 0 225.380 1.045 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cc3n(n2)CCC3)CC[C@@H]1C[NH3+] ZINC000923494912 644470721 /nfs/dbraw/zinc/47/07/21/644470721.db2.gz QLSWUASYYNRDSC-VXGBXAGGSA-N 2 0 248.374 1.246 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CC[C@H]1C[NH3+] ZINC000923499703 644474049 /nfs/dbraw/zinc/47/40/49/644474049.db2.gz LLGJXFRMBOFOHX-MCIONIFRSA-N 3 0 239.407 1.293 20 0 BDADRP CCCOC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923500659 644474145 /nfs/dbraw/zinc/47/41/45/644474145.db2.gz WMEUAVJCCBXQQI-SRVKXCTJSA-N 2 0 242.363 1.245 20 0 BDADRP C[C@H]1C[N@H+](CCOCC(F)F)CC[C@@H]1C[NH3+] ZINC000923501654 644475041 /nfs/dbraw/zinc/47/50/41/644475041.db2.gz RUQPNQNBBBXVCY-VHSXEESVSA-N 2 0 236.306 1.185 20 0 BDADRP [NH3+]CCC[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923505818 644476264 /nfs/dbraw/zinc/47/62/64/644476264.db2.gz CQDLVAFAFSERAJ-CYBMUJFWSA-N 3 0 239.407 1.437 20 0 BDADRP C[C@H](c1ccccn1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516831 644479569 /nfs/dbraw/zinc/47/95/69/644479569.db2.gz UMVUBRFVAMSVAL-FRRDWIJNSA-N 2 0 231.343 1.684 20 0 BDADRP C[NH2+]CCCN1C[C@H](CC[NH3+])Cc2ccccc21 ZINC000923545889 644492766 /nfs/dbraw/zinc/49/27/66/644492766.db2.gz ZREJBHFVVFNGOI-CYBMUJFWSA-N 2 0 247.386 1.624 20 0 BDADRP [NH3+]CC[C@H]1CN(C[C@H]2CCC[NH2+]2)c2ccccc21 ZINC000923555289 644498307 /nfs/dbraw/zinc/49/83/07/644498307.db2.gz UIHYEBIRMLHSMA-QWHCGFSZSA-N 2 0 245.370 1.691 20 0 BDADRP CC[C@H](C)NC(=O)CC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000089150227 644535198 /nfs/dbraw/zinc/53/51/98/644535198.db2.gz QUOUDLOVKUPYAM-TUAOUCFPSA-N 2 0 241.379 1.008 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](C[C@H]2CCCCO2)C1 ZINC000250870232 644784335 /nfs/dbraw/zinc/78/43/35/644784335.db2.gz SIKLNFQMZFYTHT-NWDGAFQWSA-N 2 0 212.337 1.226 20 0 BDADRP C[C@H](CN[C@@H]1CCC[C@H]1C[NH3+])[NH+]1CCCCC1 ZINC000251142237 644794862 /nfs/dbraw/zinc/79/48/62/644794862.db2.gz WMSHLBIWJVKXNF-HZSPNIEDSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[NH+](C)C ZINC000251147071 644794937 /nfs/dbraw/zinc/79/49/37/644794937.db2.gz XRJGGBGMEBIIGQ-ZOBORPQBSA-N 2 0 239.407 1.447 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCOC1 ZINC000251324884 644803214 /nfs/dbraw/zinc/80/32/14/644803214.db2.gz OODNOXPNNFINRG-FRRDWIJNSA-N 2 0 226.364 1.520 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H]2CCCOC2)CC[C@H]1[NH3+] ZINC000251523934 644807992 /nfs/dbraw/zinc/80/79/92/644807992.db2.gz ABSJXLIEXNCAMA-YNEHKIRRSA-N 2 0 226.364 1.472 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H](C)CO1 ZINC000251563031 644809911 /nfs/dbraw/zinc/80/99/11/644809911.db2.gz CWVLZEWZFZLPGL-QCNOEVLYSA-N 2 0 212.337 1.223 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC=CO2)CC[N@@H+]1C ZINC000252181041 644840770 /nfs/dbraw/zinc/84/07/70/644840770.db2.gz SWWBMZWMMBPRSN-JHJVBQTASA-N 2 0 224.348 1.751 20 0 BDADRP CC(C)([NH3+])CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000304570067 644918472 /nfs/dbraw/zinc/91/84/72/644918472.db2.gz HXKCFYPKOLQPCY-NWDGAFQWSA-N 2 0 225.380 1.330 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]2CSCCS2)C1 ZINC000253023958 644930311 /nfs/dbraw/zinc/93/03/11/644930311.db2.gz MAMTVODPJWLYHZ-MXWKQRLJSA-N 2 0 246.445 1.695 20 0 BDADRP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000253112772 644938570 /nfs/dbraw/zinc/93/85/70/644938570.db2.gz YLOIYLKVEODUIB-FIQHERPVSA-N 2 0 226.364 1.253 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2ccncc2)C[C@H]1C[NH3+] ZINC000253199134 644942904 /nfs/dbraw/zinc/94/29/04/644942904.db2.gz WENUFAAYZKWSAW-DGCLKSJQSA-N 2 0 219.332 1.498 20 0 BDADRP C[C@@H](O)C[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000819137843 645006401 /nfs/dbraw/zinc/00/64/01/645006401.db2.gz IRJDWAAXWKKTEE-IYXRBSQSSA-N 2 0 240.391 1.754 20 0 BDADRP CN(C(=O)CCCCCC[NH3+])[C@@H](C[NH3+])C1CC1 ZINC000841856297 645230982 /nfs/dbraw/zinc/23/09/82/645230982.db2.gz MOBGKGQBQRRZBE-LBPRGKRZSA-N 2 0 241.379 1.091 20 0 BDADRP CC[C@@H](COC)[NH2+]CCCCCC[NH3+] ZINC000843129199 645267271 /nfs/dbraw/zinc/26/72/71/645267271.db2.gz NLKGQSMLVIRUTB-NSHDSACASA-N 2 0 202.342 1.520 20 0 BDADRP C[C@@H]1COC[C@@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000926557288 645279780 /nfs/dbraw/zinc/27/97/80/645279780.db2.gz ANTSTSLBOMLZFN-YPMHNXCESA-N 2 0 226.364 1.485 20 0 BDADRP C[NH2+]CCCNc1ccc(OCC[NH3+])cc1 ZINC000843365990 645282861 /nfs/dbraw/zinc/28/28/61/645282861.db2.gz JRRKMDPNHNZPFZ-UHFFFAOYSA-N 2 0 223.320 1.046 20 0 BDADRP C[C@@]1(F)C[NH2+]CCN(CCCCCCC[NH3+])C1 ZINC000843387925 645285537 /nfs/dbraw/zinc/28/55/37/645285537.db2.gz PYUFWJMKNAUAJS-CYBMUJFWSA-N 2 0 245.386 1.529 20 0 BDADRP CCCCOC(=O)CC[NH2+]CC1([NH3+])CCC1 ZINC000843367631 645286264 /nfs/dbraw/zinc/28/62/64/645286264.db2.gz GPYYLFZFFJDOFT-UHFFFAOYSA-N 2 0 228.336 1.191 20 0 BDADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CO[C@H](C)[C@@H]1C ZINC000926646309 645331068 /nfs/dbraw/zinc/33/10/68/645331068.db2.gz XNALEVMXMKCSRI-BFHYXJOUSA-N 2 0 242.407 1.977 20 0 BDADRP CC(C)CC[NH+]1CCC([NH2+]C/C=C\CO)CC1 ZINC000926688715 645356845 /nfs/dbraw/zinc/35/68/45/645356845.db2.gz KOQCWSQPZRYYHC-ARJAWSKDSA-N 2 0 240.391 1.635 20 0 BDADRP FCCOCC[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000926735065 645394288 /nfs/dbraw/zinc/39/42/88/645394288.db2.gz LUJYGCQSZWIUIX-QWHCGFSZSA-N 2 0 244.354 1.579 20 0 BDADRP C[C@@]1(C[NH2+][C@H]2CC[NH2+]C23CCC3)CCOC1 ZINC000925486347 645446030 /nfs/dbraw/zinc/44/60/30/645446030.db2.gz HEMFZXKLVKJQAR-RYUDHWBXSA-N 2 0 224.348 1.287 20 0 BDADRP CN1CC[C@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925487285 645463744 /nfs/dbraw/zinc/46/37/44/645463744.db2.gz MQDOYUCVQSQIAN-GJZGRUSLSA-N 2 0 247.386 1.760 20 0 BDADRP CCOCCC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925487885 645496340 /nfs/dbraw/zinc/49/63/40/645496340.db2.gz HBMOEBLGATUSML-NEPJUHHUSA-N 2 0 228.380 1.909 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000011891283 645651690 /nfs/dbraw/zinc/65/16/90/645651690.db2.gz GNMUQCPDJIKUNR-NSHDSACASA-N 2 0 208.280 1.606 20 0 BDADRP COC[C@H](C[NH+]1CCC([NH+](C)C)CC1)C(C)C ZINC000929260011 646042507 /nfs/dbraw/zinc/04/25/07/646042507.db2.gz SWEHTRBJLBVQLT-ZDUSSCGKSA-N 2 0 242.407 1.931 20 0 BDADRP C[NH+](C)CCC[NH2+][C@@H]1CCCC[C@H]1CCCO ZINC000924540961 646061402 /nfs/dbraw/zinc/06/14/02/646061402.db2.gz RQTJDHFAFNFKHI-UONOGXRCSA-N 2 0 242.407 1.859 20 0 BDADRP COc1cccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1C ZINC000929311357 646073725 /nfs/dbraw/zinc/07/37/25/646073725.db2.gz CCXFSBYYXDJVST-KBPBESRZSA-N 2 0 246.354 1.655 20 0 BDADRP C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cnnn1C ZINC000924699184 646093334 /nfs/dbraw/zinc/09/33/34/646093334.db2.gz PXOCYZNERKJXQA-QJPTWQEYSA-N 2 0 249.362 1.093 20 0 BDADRP Cc1nonc1[C@H](C)[NH2+]CCCC[NH+](C)C ZINC000924855856 646119621 /nfs/dbraw/zinc/11/96/21/646119621.db2.gz UMQIKWOEHHNWTP-VIFPVBQESA-N 2 0 226.324 1.370 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2ccnnc2)CC1 ZINC000924956531 646142339 /nfs/dbraw/zinc/14/23/39/646142339.db2.gz XKBIZUXKJXFJDH-GFCCVEGCSA-N 2 0 248.374 1.859 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccnnc2)CC1 ZINC000924956532 646142837 /nfs/dbraw/zinc/14/28/37/646142837.db2.gz XKBIZUXKJXFJDH-LBPRGKRZSA-N 2 0 248.374 1.859 20 0 BDADRP C[C@H]([NH2+][C@@H]1CNCCOC1)C1CCCC1 ZINC000925488868 646298759 /nfs/dbraw/zinc/29/87/59/646298759.db2.gz MXJMXXDOZOYZHL-CMPLNLGQSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H](CN[C@H]1CC[NH2+]C12CCC2)[N@H+](C)C1CC1 ZINC000925497345 646301002 /nfs/dbraw/zinc/30/10/02/646301002.db2.gz VCMQMJLSXLETAL-YPMHNXCESA-N 2 0 237.391 1.343 20 0 BDADRP CC[NH+](CC)CCN[C@H]1CC[NH2+]C12CCC2 ZINC000925502597 646306255 /nfs/dbraw/zinc/30/62/55/646306255.db2.gz MESABDJDFQGRTG-LBPRGKRZSA-N 2 0 225.380 1.202 20 0 BDADRP C[C@@H]([NH3+])[C@H](NCC[NH+]1CCCC1)c1ccccc1 ZINC000925509862 646308344 /nfs/dbraw/zinc/30/83/44/646308344.db2.gz RJELIEFRWMHDAZ-HIFRSBDPSA-N 2 0 247.386 1.760 20 0 BDADRP CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925512854 646310801 /nfs/dbraw/zinc/31/08/01/646310801.db2.gz GIFPVEOHYSQPJJ-AXFHLTTASA-N 2 0 241.379 1.007 20 0 BDADRP CC(C)C[C@@H](CN[C@H]1CC[NH2+]C1(C)C)[NH+](C)C ZINC000925536666 646314944 /nfs/dbraw/zinc/31/49/44/646314944.db2.gz QELCTIKDUMYTPB-STQMWFEESA-N 2 0 241.423 1.693 20 0 BDADRP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+][C@H]1CNCCOC1 ZINC000925530436 646319422 /nfs/dbraw/zinc/31/94/22/646319422.db2.gz LAVKMWKEKDLWHB-FRRDWIJNSA-N 2 0 240.391 1.779 20 0 BDADRP c1cnn(CCC[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000925534138 646320576 /nfs/dbraw/zinc/32/05/76/646320576.db2.gz SXPMNKAUPRUIQA-LBPRGKRZSA-N 2 0 234.347 1.147 20 0 BDADRP CC[C@@H](CO)[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000929790532 646320584 /nfs/dbraw/zinc/32/05/84/646320584.db2.gz KIUZDOPGOCBZRU-NEPJUHHUSA-N 2 0 214.353 1.031 20 0 BDADRP CC[C@@H](CCO)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925541117 646322447 /nfs/dbraw/zinc/32/24/47/646322447.db2.gz TZBVSIXLGWEDTI-STQMWFEESA-N 2 0 240.391 1.659 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H]2CCCOC2)C1 ZINC000925550329 646326246 /nfs/dbraw/zinc/32/62/46/646326246.db2.gz RARCWEWMCZTOLB-GRYCIOLGSA-N 2 0 226.364 1.661 20 0 BDADRP COCCCC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925551621 646328409 /nfs/dbraw/zinc/32/84/09/646328409.db2.gz CMKIZHYIQBZMRP-RYUDHWBXSA-N 2 0 228.380 1.909 20 0 BDADRP C[N@@H+]1CCC[C@H](CN[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925558580 646333522 /nfs/dbraw/zinc/33/35/22/646333522.db2.gz TVGDOLWSIMNKSX-VXGBXAGGSA-N 2 0 225.380 1.058 20 0 BDADRP CC(C)[N@H+](C)CCN[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925557293 646333710 /nfs/dbraw/zinc/33/37/10/646333710.db2.gz NNRGJZMCIRLZDF-STQMWFEESA-N 2 0 241.423 1.822 20 0 BDADRP CC1(C)[C@H]([NH2+][C@H]2CCSC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925571182 646340134 /nfs/dbraw/zinc/34/01/34/646340134.db2.gz AWQLEAYDWYQBCS-WHOHXGKFSA-N 2 0 240.416 1.858 20 0 BDADRP CC1(C)[C@@H]([NH2+][C@@H]2CCSC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925571185 646340256 /nfs/dbraw/zinc/34/02/56/646340256.db2.gz AWQLEAYDWYQBCS-WYUUTHIRSA-N 2 0 240.416 1.858 20 0 BDADRP CC(C)C[C@H](O)C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925582345 646347339 /nfs/dbraw/zinc/34/73/39/646347339.db2.gz XUACDGSMRMXUEE-AGIUHOORSA-N 2 0 242.407 1.889 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1[NH2+]C1CCSCC1 ZINC000925590047 646349283 /nfs/dbraw/zinc/34/92/83/646349283.db2.gz DQMIAHNIYSSPRR-SNVBAGLBSA-N 2 0 214.378 1.612 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925597055 646351060 /nfs/dbraw/zinc/35/10/60/646351060.db2.gz ZXFCVDASATWSRD-USZNOCQGSA-N 2 0 226.364 1.659 20 0 BDADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCOC3CC3)CC[C@@H]21 ZINC000929842874 646353938 /nfs/dbraw/zinc/35/39/38/646353938.db2.gz DYPYUUZPRMEATO-OCCSQVGLSA-N 2 0 238.375 1.582 20 0 BDADRP CC1(C)[C@H]([NH2+]CC2(O)CCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925608595 646358217 /nfs/dbraw/zinc/35/82/17/646358217.db2.gz FUZSBFGJKYOAAK-GRYCIOLGSA-N 2 0 238.375 1.268 20 0 BDADRP CCC[C@@](C)(O)CN[C@@H]1CC[NH2+]C1(C)C ZINC000925610074 646360149 /nfs/dbraw/zinc/36/01/49/646360149.db2.gz CJBLATVGLUUURI-ZYHUDNBSSA-N 2 0 214.353 1.268 20 0 BDADRP C[C@H](CO)[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925614316 646362034 /nfs/dbraw/zinc/36/20/34/646362034.db2.gz WKSFKORJLZYFLY-KGYLQXTDSA-N 2 0 226.364 1.125 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCCF)C1 ZINC000925619374 646366872 /nfs/dbraw/zinc/36/68/72/646366872.db2.gz MZAJUIXOBVWDDT-UWVGGRQHSA-N 2 0 202.317 1.842 20 0 BDADRP C[C@@H](CO)CCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925630050 646373390 /nfs/dbraw/zinc/37/33/90/646373390.db2.gz PYDWSHOPJKOGHM-VXGBXAGGSA-N 2 0 226.364 1.269 20 0 BDADRP CC(C)OCC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925647284 646374857 /nfs/dbraw/zinc/37/48/57/646374857.db2.gz BJEWNSCEBQNJQL-VXGBXAGGSA-N 2 0 228.380 1.907 20 0 BDADRP CC[C@@H](CO)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925645653 646386326 /nfs/dbraw/zinc/38/63/26/646386326.db2.gz RUSAAYMNRXITPX-DCAQKATOSA-N 2 0 214.353 1.253 20 0 BDADRP CO[C@H](C)C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925645207 646386495 /nfs/dbraw/zinc/38/64/95/646386495.db2.gz OSFXFJSYYKNPEP-BNOWGMLFSA-N 2 0 240.391 1.779 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925646838 646386537 /nfs/dbraw/zinc/38/65/37/646386537.db2.gz XJUFBGFNSQCPIC-IRCOFANPSA-N 2 0 228.380 1.905 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000925650843 646388964 /nfs/dbraw/zinc/38/89/64/646388964.db2.gz ZIJKYHMXQAWFOW-JBKQMZKYSA-N 2 0 238.375 1.253 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC1CC(O)C1 ZINC000925651385 646389299 /nfs/dbraw/zinc/38/92/99/646389299.db2.gz BOWWNPFCCHNODO-HGVNPNRVSA-N 2 0 238.375 1.253 20 0 BDADRP CCOC1CC(CC[NH2+][C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925648613 646390455 /nfs/dbraw/zinc/39/04/55/646390455.db2.gz CZOPEWFGVZCITN-WXRRBKDZSA-N 2 0 240.391 1.922 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCCCCO)C1 ZINC000925653848 646391800 /nfs/dbraw/zinc/39/18/00/646391800.db2.gz OYWRRELLRCPOHG-RYUDHWBXSA-N 2 0 228.380 1.645 20 0 BDADRP C[C@@H]1CC(C[NH2+][C@H]2CC[NH2+]C2(C)C)C[C@@H](C)O1 ZINC000925654441 646394022 /nfs/dbraw/zinc/39/40/22/646394022.db2.gz MLQKMMLZZVZWNN-WZRBSPASSA-N 2 0 240.391 1.920 20 0 BDADRP OCCCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925656228 646395328 /nfs/dbraw/zinc/39/53/28/646395328.db2.gz JBKROEWPUYEISY-ZIAGYGMSSA-N 2 0 240.391 1.517 20 0 BDADRP Cn1cncc1C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925668944 646399724 /nfs/dbraw/zinc/39/97/24/646399724.db2.gz MJUIPXPAHKDEJT-WDEREUQCSA-N 2 0 236.363 1.416 20 0 BDADRP COCC1(CC[NH2+][C@@H]2CC[NH2+]C2(C)C)CCC1 ZINC000925674535 646403136 /nfs/dbraw/zinc/40/31/36/646403136.db2.gz BJKWUPNVZMBIBO-GFCCVEGCSA-N 2 0 240.391 1.923 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]C[C@H]2CCCO2)C1 ZINC000925681399 646408406 /nfs/dbraw/zinc/40/84/06/646408406.db2.gz YPEBMWJGZCCREE-QJPTWQEYSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925681523 646409097 /nfs/dbraw/zinc/40/90/97/646409097.db2.gz ZQAWEEZGKOKWKF-GHMZBOCLSA-N 2 0 214.353 1.268 20 0 BDADRP COCC1(C[NH2+][C@H]2CC[NH2+]C2(C)C)CCCC1 ZINC000925688457 646409852 /nfs/dbraw/zinc/40/98/52/646409852.db2.gz CRYWOGZLBGSNHP-LBPRGKRZSA-N 2 0 240.391 1.923 20 0 BDADRP COCC[C@@H](C)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925685486 646413128 /nfs/dbraw/zinc/41/31/28/646413128.db2.gz JNPILRJMYWIXCA-MNOVXSKESA-N 2 0 214.353 1.389 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925685459 646413542 /nfs/dbraw/zinc/41/35/42/646413542.db2.gz ITSOARPVCDSJKX-CHWSQXEVSA-N 3 0 239.407 1.448 20 0 BDADRP C[C@@H]([NH3+])[C@@H](NCCC[NH3+])c1ccccc1 ZINC000925688269 646414709 /nfs/dbraw/zinc/41/47/09/646414709.db2.gz CKYDWUBJHASLFU-ZYHUDNBSSA-N 2 0 207.321 1.013 20 0 BDADRP CC(C)[NH2+]CCCN[C@H]1CC[NH2+]C1(C)C ZINC000925690108 646416528 /nfs/dbraw/zinc/41/65/28/646416528.db2.gz FALZPHNDULMIGL-NSHDSACASA-N 2 0 213.369 1.105 20 0 BDADRP CC1(C)[C@H](NCC[NH2+]C2CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925690073 646417031 /nfs/dbraw/zinc/41/70/31/646417031.db2.gz DOMWZJSDBASKME-FRRDWIJNSA-N 2 0 237.391 1.105 20 0 BDADRP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)[C@H](C)O ZINC000925694080 646418291 /nfs/dbraw/zinc/41/82/91/646418291.db2.gz SSKFBZXPLPUYCB-YFKTTZPYSA-N 2 0 228.380 1.641 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@@H]1CCC[NH2+][C@@H]1C ZINC000925700033 646422976 /nfs/dbraw/zinc/42/29/76/646422976.db2.gz RBZMLJUSYSTGHT-IJLUTSLNSA-N 2 0 213.369 1.234 20 0 BDADRP C[C@H]([NH3+])CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925700216 646423077 /nfs/dbraw/zinc/42/30/77/646423077.db2.gz NTVMNTZARTVWTG-CYZMBNFOSA-N 2 0 225.380 1.092 20 0 BDADRP CC1(C)C[C@@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C[C@@H]([NH3+])C1 ZINC000925697814 646423891 /nfs/dbraw/zinc/42/38/91/646423891.db2.gz AOOUMCQPHXSZGO-NDBYEHHHSA-N 2 0 239.407 1.752 20 0 BDADRP C[C@@H](C[NH3+])N[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925701291 646425631 /nfs/dbraw/zinc/42/56/31/646425631.db2.gz WZMHMTMOULVQSJ-DRZSPHRISA-N 2 0 225.380 1.092 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000925702221 646426631 /nfs/dbraw/zinc/42/66/31/646426631.db2.gz AYDCIXFSBDCGJM-UTUOFQBUSA-N 2 0 223.364 1.131 20 0 BDADRP CC(C)(C)[N@@H+]1CC[C@H](N[C@H]2CC[NH2+]C2(C)C)C1 ZINC000925703221 646426881 /nfs/dbraw/zinc/42/68/81/646426881.db2.gz COSXMWLQORJMIG-RYUDHWBXSA-N 2 0 239.407 1.589 20 0 BDADRP [NH3+]Cc1ccc(CN[C@H]2CC[NH2+]C23CCC3)cc1 ZINC000925705296 646428421 /nfs/dbraw/zinc/42/84/21/646428421.db2.gz BBVCYBINOKXJFF-AWEZNQCLSA-N 2 0 245.370 1.520 20 0 BDADRP CCC[N@@H+]1CC[C@@H](N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925708341 646432676 /nfs/dbraw/zinc/43/26/76/646432676.db2.gz SJJITEYDXLQMAY-CHWSQXEVSA-N 2 0 237.391 1.345 20 0 BDADRP C(C[NH2+][C@H]1CC[NH2+]C12CCC2)C[C@@H]1CCC[NH2+]1 ZINC000925710724 646434496 /nfs/dbraw/zinc/43/44/96/646434496.db2.gz QRBNPCFDQLESOH-STQMWFEESA-N 3 0 237.391 1.393 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]C[C@@H]2CCCO2)C1 ZINC000925710984 646437523 /nfs/dbraw/zinc/43/75/23/646437523.db2.gz YPEBMWJGZCCREE-SRVKXCTJSA-N 2 0 226.364 1.661 20 0 BDADRP CC[C@@H](O)C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925712674 646439638 /nfs/dbraw/zinc/43/96/38/646439638.db2.gz YYGLTMXVXAIIPR-ZIAGYGMSSA-N 2 0 236.359 1.827 20 0 BDADRP C[N@@H+]1CCC[C@H]1CN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925716632 646441140 /nfs/dbraw/zinc/44/11/40/646441140.db2.gz BHGURRQVCOASRR-UPJWGTAASA-N 2 0 239.407 1.576 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925717857 646442630 /nfs/dbraw/zinc/44/26/30/646442630.db2.gz IGNNBKFRDOCPBX-WHOHXGKFSA-N 2 0 225.380 1.232 20 0 BDADRP C/C=C\C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925720166 646444213 /nfs/dbraw/zinc/44/42/13/646444213.db2.gz XGLNPDQPGVFGHI-FZHXTVGLSA-N 2 0 208.349 1.929 20 0 BDADRP C/C=C/C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925720167 646444870 /nfs/dbraw/zinc/44/48/70/646444870.db2.gz XGLNPDQPGVFGHI-NJQGNMFYSA-N 2 0 208.349 1.929 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@@H]1CC[NH2+]C13CCC3)[NH2+]2 ZINC000925724456 646449688 /nfs/dbraw/zinc/44/96/88/646449688.db2.gz YFLHLQRXXYUSCP-XHJNMGKDSA-N 2 0 249.402 1.390 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000925724712 646450349 /nfs/dbraw/zinc/45/03/49/646450349.db2.gz COMRQRBOMALAMO-AVGNSLFASA-N 2 0 239.407 1.495 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C1 ZINC000925727445 646451351 /nfs/dbraw/zinc/45/13/51/646451351.db2.gz PSXAHKMXWLBDQJ-FIQHERPVSA-N 3 0 225.380 1.219 20 0 BDADRP COCC1CC([NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925729017 646453417 /nfs/dbraw/zinc/45/34/17/646453417.db2.gz NTJAUXZRLPTSQH-PYNQCMFNSA-N 2 0 240.391 1.907 20 0 BDADRP C[C@H](N)[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccccc1 ZINC000925729231 646453935 /nfs/dbraw/zinc/45/39/35/646453935.db2.gz ZHEBSTXFQFSEGY-AUZPSNTRSA-N 2 0 233.359 1.402 20 0 BDADRP CC(C)([NH3+])CCN[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925736960 646454195 /nfs/dbraw/zinc/45/41/95/646454195.db2.gz LWUOPWINXIXCQT-QWRGUYRKSA-N 2 0 227.396 1.609 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1NCCC(C)(C)[NH3+] ZINC000925739081 646462090 /nfs/dbraw/zinc/46/20/90/646462090.db2.gz ZVTLAQOOFQTNGZ-MNOVXSKESA-N 2 0 213.369 1.092 20 0 BDADRP C[C@H]([NH2+]CCC(C)(C)[NH3+])c1cccc(CO)c1 ZINC000925742884 646465069 /nfs/dbraw/zinc/46/50/69/646465069.db2.gz YIHQRVQWWSDPHO-NSHDSACASA-N 2 0 236.359 1.957 20 0 BDADRP C[C@H](NCc1cc(N)cc[nH+]1)[C@@H]1CCCC[NH2+]1 ZINC000925765461 646466151 /nfs/dbraw/zinc/46/61/51/646466151.db2.gz BUFHFGIMVWCMNA-GWCFXTLKSA-N 2 0 234.347 1.284 20 0 BDADRP CCC1([NH3+])CCN([C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000925760665 646466327 /nfs/dbraw/zinc/46/63/27/646466327.db2.gz OAXGRHYDWIVNFS-STQMWFEESA-N 2 0 239.407 1.850 20 0 BDADRP CCC1([NH3+])CCN([C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000925759840 646467003 /nfs/dbraw/zinc/46/70/03/646467003.db2.gz IDMUIILRHDPKPE-VXGBXAGGSA-N 2 0 225.380 1.317 20 0 BDADRP CCC1([NH3+])CCN([C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000925761522 646467286 /nfs/dbraw/zinc/46/72/86/646467286.db2.gz WMDIWJXLUSWGHH-RYUDHWBXSA-N 2 0 225.380 1.330 20 0 BDADRP Nc1cc[nH+]c(CN[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000925767413 646469506 /nfs/dbraw/zinc/46/95/06/646469506.db2.gz OLROJDOBNHVUOA-ZWNOBZJWSA-N 2 0 234.347 1.271 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CCCC12CCC2 ZINC000925782452 646479046 /nfs/dbraw/zinc/47/90/46/646479046.db2.gz GMTSIWIUCGXEIC-UTUOFQBUSA-N 2 0 208.349 1.907 20 0 BDADRP Cc1nc(C)c(CN2CC[N@@H+](C)[C@@H](C)[C@@H]2C)[nH]1 ZINC000930177981 646479796 /nfs/dbraw/zinc/47/97/96/646479796.db2.gz RLHFSFMOWPEASP-QWRGUYRKSA-N 2 0 236.363 1.551 20 0 BDADRP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925785248 646480605 /nfs/dbraw/zinc/48/06/05/646480605.db2.gz METUJWSKKJVMGA-VOAKCMCISA-N 2 0 210.365 1.866 20 0 BDADRP Cc1nc(C)c(CN2CC[N@@H+](C)[C@H](C)[C@@H]2C)[nH]1 ZINC000930177980 646480945 /nfs/dbraw/zinc/48/09/45/646480945.db2.gz RLHFSFMOWPEASP-MNOVXSKESA-N 2 0 236.363 1.551 20 0 BDADRP CC(C)[C@H]1CC[C@H]1[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925785250 646481563 /nfs/dbraw/zinc/48/15/63/646481563.db2.gz METUJWSKKJVMGA-YVECIDJPSA-N 2 0 210.365 1.866 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000925787102 646482545 /nfs/dbraw/zinc/48/25/45/646482545.db2.gz WOSVYIFHCUJLKA-GWNIPJSYSA-N 2 0 208.349 1.763 20 0 BDADRP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCOC1 ZINC000925788943 646484472 /nfs/dbraw/zinc/48/44/72/646484472.db2.gz DOFCLEDZRPOXOR-FVCCEPFGSA-N 2 0 226.364 1.247 20 0 BDADRP C[C@@H]1C[C@@H](NC[C@@H]2C[NH2+]C[C@H]2C)C[N@@H+]1C1CC1 ZINC000925792115 646485724 /nfs/dbraw/zinc/48/57/24/646485724.db2.gz SZKIRBAVYZGXSH-FVCCEPFGSA-N 2 0 237.391 1.057 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCCO1 ZINC000925797444 646487296 /nfs/dbraw/zinc/48/72/96/646487296.db2.gz NZSKORXXYSVBNQ-LPWJVIDDSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCOC[C@@H]1C ZINC000925803790 646488128 /nfs/dbraw/zinc/48/81/28/646488128.db2.gz VLJUUZNFNORZBW-YVECIDJPSA-N 2 0 226.364 1.247 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000925803591 646489073 /nfs/dbraw/zinc/48/90/73/646489073.db2.gz RSIAEFZHSAYOGB-MQYQWHSLSA-N 3 0 239.407 1.482 20 0 BDADRP CC(C)[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925811324 646490884 /nfs/dbraw/zinc/49/08/84/646490884.db2.gz ZSBJWOUBZDSWMN-UHFFFAOYSA-N 2 0 247.386 1.590 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1NCc1cc(N(C)C)cc[nH+]1 ZINC000925815560 646492426 /nfs/dbraw/zinc/49/24/26/646492426.db2.gz YHLIBARRAYGHHM-FZMZJTMJSA-N 2 0 248.374 1.378 20 0 BDADRP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925824443 646497282 /nfs/dbraw/zinc/49/72/82/646497282.db2.gz TZGWZNKGVQIQRP-AJFKIZOHSA-N 2 0 232.371 1.617 20 0 BDADRP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925825220 646497971 /nfs/dbraw/zinc/49/79/71/646497971.db2.gz YNNUBAMSFWCHDT-UMYBXDDDSA-N 2 0 220.360 1.904 20 0 BDADRP FC(F)(F)[C@@H]1C[C@H]1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000925829902 646500199 /nfs/dbraw/zinc/50/01/99/646500199.db2.gz AZOHEJKCTMMMBV-LPEHRKFASA-N 2 0 236.281 1.917 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000925830839 646501361 /nfs/dbraw/zinc/50/13/61/646501361.db2.gz HTXHJVFGCVSRHC-WUHRBBMRSA-N 2 0 224.348 1.415 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925839680 646505881 /nfs/dbraw/zinc/50/58/81/646505881.db2.gz JAJIWZLSKBEOMF-REWJHTLYSA-N 2 0 237.391 1.236 20 0 BDADRP C[C@@H]1OCC[C@H]1[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925846079 646509328 /nfs/dbraw/zinc/50/93/28/646509328.db2.gz OCJKJNBOVWUEGU-UMSGYPCISA-N 2 0 224.348 1.286 20 0 BDADRP COC[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)C(C)C ZINC000925872996 646523685 /nfs/dbraw/zinc/52/36/85/646523685.db2.gz CNHQAHWAAAMGBG-YNEHKIRRSA-N 2 0 240.391 1.765 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCOC1CCOCC1 ZINC000925877079 646527659 /nfs/dbraw/zinc/52/76/59/646527659.db2.gz FFVJDUAFQNJKAN-GFCCVEGCSA-N 2 0 244.379 1.289 20 0 BDADRP Cc1ccc(NCC[NH2+][C@H](C)C[C@H](C)[NH3+])nc1 ZINC000925877041 646527694 /nfs/dbraw/zinc/52/76/94/646527694.db2.gz DNDYQAUNYHJACX-NWDGAFQWSA-N 2 0 236.363 1.517 20 0 BDADRP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)no1 ZINC000925879343 646529588 /nfs/dbraw/zinc/52/95/88/646529588.db2.gz BQZDEXKJLMITSE-MXWKQRLJSA-N 2 0 223.320 1.761 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000925879458 646529751 /nfs/dbraw/zinc/52/97/51/646529751.db2.gz FEIGGCXNDIKSTG-LOWDOPEQSA-N 3 0 225.380 1.363 20 0 BDADRP COC[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)C1CCCC1 ZINC000925883029 646531502 /nfs/dbraw/zinc/53/15/02/646531502.db2.gz RMQRFSSVAJGPGS-XBFCOCLRSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H](CC[NH2+][C@H]1COC[C@H]1C)[NH+]1CCCCC1 ZINC000926144412 646584329 /nfs/dbraw/zinc/58/43/29/646584329.db2.gz PKVIZROKYBZABT-RDBSUJKOSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]1CC[C@H](C)C1[NH2+]CCOCC[NH+](C)C ZINC000926255129 646605495 /nfs/dbraw/zinc/60/54/95/646605495.db2.gz PMMTTYDKIUKYAD-RYUDHWBXSA-N 2 0 228.380 1.589 20 0 BDADRP C[C@@H]1COC[C@@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000926276401 646610617 /nfs/dbraw/zinc/61/06/17/646610617.db2.gz XANNVZFXIAKNSW-OLZOCXBDSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1OC[C@H]([NH2+][C@@H]2CCc3nc[nH]c3C2)[C@@H]1C ZINC000926451111 646641712 /nfs/dbraw/zinc/64/17/12/646641712.db2.gz WLFDJICKHGLBMK-COMAGPEQSA-N 2 0 235.331 1.280 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1CC(F)(F)C1 ZINC000926463866 646649305 /nfs/dbraw/zinc/64/93/05/646649305.db2.gz DSDOLNUXQXXXDB-FOSCPWQOSA-N 2 0 244.329 1.962 20 0 BDADRP COC/C(C)=C\C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000930555335 711696823 /nfs/dbraw/zinc/69/68/23/711696823.db2.gz MFTOZBUEUAYOLV-HNFXJGKRSA-N 2 0 238.375 1.607 20 0 BDADRP CC[C@H](O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397291404 711705307 /nfs/dbraw/zinc/70/53/07/711705307.db2.gz AIBHNLYKEOBXGU-USZNOCQGSA-N 2 0 214.353 1.063 20 0 BDADRP C[NH+]1CCC(C[NH2+]CCN2CCCC2)CC1 ZINC000054240159 711782528 /nfs/dbraw/zinc/78/25/28/711782528.db2.gz HOOSBTYYMATSHE-UHFFFAOYSA-N 2 0 225.380 1.014 20 0 BDADRP CO[C@H]1C[C@@H](C[N@H+](C)CC[C@@H]([NH3+])C(C)C)C1 ZINC000721928309 711937672 /nfs/dbraw/zinc/93/76/72/711937672.db2.gz QCRJBFAYCGKKMU-FRRDWIJNSA-N 2 0 228.380 1.717 20 0 BDADRP C[N@@H+](Cc1cnccn1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000700090763 711986097 /nfs/dbraw/zinc/98/60/97/711986097.db2.gz ZKRIUDXUQRPLPO-MNOVXSKESA-N 2 0 220.320 1.036 20 0 BDADRP COC[C@@H](C)C[NH2+]CC[C@@H](C)[NH+](C)C ZINC000700489459 711994386 /nfs/dbraw/zinc/99/43/86/711994386.db2.gz RMWISZVAAXLOPZ-WDEREUQCSA-N 2 0 202.342 1.199 20 0 BDADRP C[C@H](C[NH2+]C1CCC(C)(O)CC1)C[NH+](C)C ZINC000702987307 712062842 /nfs/dbraw/zinc/06/28/42/712062842.db2.gz AOMKKEARJOZBCM-PNESKVBLSA-N 2 0 228.380 1.467 20 0 BDADRP COC1CC(C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)C1 ZINC000703155143 712066291 /nfs/dbraw/zinc/06/62/91/712066291.db2.gz BCGNAHINEUNTIT-JPPWEJMLSA-N 2 0 212.337 1.127 20 0 BDADRP CC1(O)CCC([NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000703606819 712080410 /nfs/dbraw/zinc/08/04/10/712080410.db2.gz ZQVADKHESZDNNF-AHPWVWPOSA-N 2 0 240.391 1.787 20 0 BDADRP CSC1CC([NH2+]CC2CC[NH+](C)CC2)C1 ZINC000706899956 712159719 /nfs/dbraw/zinc/15/97/19/712159719.db2.gz WQWYIYXAJRJSJK-UHFFFAOYSA-N 2 0 228.405 1.812 20 0 BDADRP C[C@@H]1C[N@H+](CCc2ccns2)CC[C@@H]1[NH3+] ZINC000709965334 712235170 /nfs/dbraw/zinc/23/51/70/712235170.db2.gz BJVXZJOTBVVIPW-KOLCDFICSA-N 2 0 225.361 1.355 20 0 BDADRP COC1(OC)CC[C@H]1[NH2+]CCCC[NH+](C)C ZINC000710965312 712269715 /nfs/dbraw/zinc/26/97/15/712269715.db2.gz YFCAGTHMVCJMOE-LLVKDONJSA-N 2 0 230.352 1.069 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2C=CCC2)C12CCC2 ZINC000711754255 712324797 /nfs/dbraw/zinc/32/47/97/712324797.db2.gz TZYWZAGMWGPOTE-UTUOFQBUSA-N 2 0 206.333 1.812 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCOC3CC3)C[C@@H]21 ZINC000711759911 712326585 /nfs/dbraw/zinc/32/65/85/712326585.db2.gz RDTWSYXHIUGQJA-KGYLQXTDSA-N 2 0 224.348 1.225 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000379566582 712393389 /nfs/dbraw/zinc/39/33/89/712393389.db2.gz PKWROADSDAZHCX-KXNHARMFSA-N 2 0 208.349 1.430 20 0 BDADRP C[C@H]1CC[C@@H](C[N@@H+]2CC[NH2+]CCC2(C)C)O1 ZINC000712555629 712444795 /nfs/dbraw/zinc/44/47/95/712444795.db2.gz WYYIDXXHOAEZSP-RYUDHWBXSA-N 2 0 226.364 1.628 20 0 BDADRP C=C/C=C\CC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000713730605 712470738 /nfs/dbraw/zinc/47/07/38/712470738.db2.gz DBGIYVSFHUWHAJ-DHCBQETCSA-N 2 0 206.333 1.804 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000715554075 712528046 /nfs/dbraw/zinc/52/80/46/712528046.db2.gz UZWAMPRMRAZIPJ-DGAVXFQQSA-N 2 0 239.407 1.589 20 0 BDADRP C[C@@H](C[C@H]1COCCN1)[NH2+]CCCCC1CC1 ZINC000716370463 712556814 /nfs/dbraw/zinc/55/68/14/712556814.db2.gz IOGCXZHWPVSHAF-JSGCOSHPSA-N 2 0 240.391 1.923 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C ZINC000716584822 712564562 /nfs/dbraw/zinc/56/45/62/712564562.db2.gz OJMCRTVPZLBKIZ-PEDHHIEDSA-N 2 0 240.391 1.622 20 0 BDADRP [NH3+]CCC[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000379817530 712611601 /nfs/dbraw/zinc/61/16/01/712611601.db2.gz RZHOVHSSWDRCFV-BBBLOLIVSA-N 2 0 232.418 1.304 20 0 BDADRP CC1(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000717282325 712644655 /nfs/dbraw/zinc/64/46/55/712644655.db2.gz CJNLQWLCEKHVMH-VIFPVBQESA-N 2 0 218.291 1.621 20 0 BDADRP C[N@H+](C[C@@H](O)CC1CCCC1)C1CC([NH3+])C1 ZINC000384949129 712707022 /nfs/dbraw/zinc/70/70/22/712707022.db2.gz FYBWGVBGMYRVGB-BPCQOVAHSA-N 2 0 226.364 1.349 20 0 BDADRP C[N@H+](CCN1CC[NH2+]CC1)CC1CCCCC1 ZINC000042318327 712720437 /nfs/dbraw/zinc/72/04/37/712720437.db2.gz KBORPNQBPMRDFE-UHFFFAOYSA-N 2 0 239.407 1.404 20 0 BDADRP COCC(C)(C)CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000718792956 712784206 /nfs/dbraw/zinc/78/42/06/712784206.db2.gz SXCOTAPDVUZDNB-NWDGAFQWSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCc2ccns2)C1 ZINC000719845567 712825579 /nfs/dbraw/zinc/82/55/79/712825579.db2.gz JPFRHGWSZWGILN-QWRGUYRKSA-N 2 0 239.388 1.745 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](CCc2ccns2)CC1 ZINC000719847444 712826310 /nfs/dbraw/zinc/82/63/10/712826310.db2.gz ZIWQKPSRJHUJAV-SNVBAGLBSA-N 2 0 239.388 1.745 20 0 BDADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCc1ccns1 ZINC000719846546 712826311 /nfs/dbraw/zinc/82/63/11/712826311.db2.gz QFOJGNRRQPAGQK-LLVKDONJSA-N 2 0 239.388 1.889 20 0 BDADRP COC[C@@H](C[NH+]1CCC([C@@H](C)[NH3+])CC1)C(C)C ZINC000721915941 710690618 /nfs/dbraw/zinc/69/06/18/710690618.db2.gz WFPPIEXINPVZPD-TZMCWYRMSA-N 2 0 242.407 1.964 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)C1 ZINC000721909212 710688485 /nfs/dbraw/zinc/68/84/85/710688485.db2.gz RBSSESJGOITJGP-NDBYEHHHSA-N 2 0 226.364 1.471 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])C1 ZINC000721962821 710694207 /nfs/dbraw/zinc/69/42/07/710694207.db2.gz OTXNXOXRTOGFQK-YIYPIFLZSA-N 2 0 240.391 1.861 20 0 BDADRP C[C@@H]1OCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H]1C ZINC000380502653 712901463 /nfs/dbraw/zinc/90/14/63/712901463.db2.gz GWLLUBLTZDSTMF-YFKTTZPYSA-N 2 0 212.337 1.223 20 0 BDADRP C[C@H]1NCCC[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000396715120 710907090 /nfs/dbraw/zinc/90/70/90/710907090.db2.gz QYNAHYUXEHZIBP-YPMHNXCESA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@@H]2CCCO2)CC[C@@H]1C[NH3+] ZINC000133091409 710968272 /nfs/dbraw/zinc/96/82/72/710968272.db2.gz KLBNTQSJGSGLFE-UPJWGTAASA-N 2 0 226.364 1.472 20 0 BDADRP CC[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H](C)O ZINC000386729014 711035917 /nfs/dbraw/zinc/03/59/17/711035917.db2.gz UVILWPYLVFEAJE-PWSUYJOCSA-N 2 0 214.353 1.077 20 0 BDADRP CO[C@H]([C@H](C)[NH2+]CC1CC[NH+](C)CC1)C1CC1 ZINC000388206719 711054031 /nfs/dbraw/zinc/05/40/31/711054031.db2.gz DKXFCCZDQUKKMN-SMDDNHRTSA-N 2 0 240.391 1.731 20 0 BDADRP CC1(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCCC1 ZINC000389606504 711082720 /nfs/dbraw/zinc/08/27/20/711082720.db2.gz YPRLNPWVBDGURX-TXEJJXNPSA-N 2 0 208.349 1.718 20 0 BDADRP C[C@H]1C[N@H+](C[C@H](O)C[NH+]2CCCC2)C[C@H]1C ZINC000389732290 711088111 /nfs/dbraw/zinc/08/81/11/711088111.db2.gz QUSCOKJRVUVECG-FRRDWIJNSA-N 2 0 226.364 1.031 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCCCCC1 ZINC000390660740 711131220 /nfs/dbraw/zinc/13/12/20/711131220.db2.gz QAQINBOZBUOCFU-CYBMUJFWSA-N 2 0 228.380 1.565 20 0 BDADRP CCCCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000392881386 711153489 /nfs/dbraw/zinc/15/34/89/711153489.db2.gz IPVYYIFEBVNECS-JZRPKSSGSA-N 2 0 208.349 1.763 20 0 BDADRP CO[C@H]1CCC[C@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000392948803 711154753 /nfs/dbraw/zinc/15/47/53/711154753.db2.gz VHZKVGDBFIWYMG-OLZOCXBDSA-N 2 0 224.348 1.405 20 0 BDADRP Cn1c(Cl)cnc1C[NH2+]CCCCCC[NH3+] ZINC000393641742 711168087 /nfs/dbraw/zinc/16/80/87/711168087.db2.gz XNDMGSVECFCHML-UHFFFAOYSA-N 2 0 244.770 1.682 20 0 BDADRP CC(C)[C@H](CO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000394062341 711182672 /nfs/dbraw/zinc/18/26/72/711182672.db2.gz PGLKEBQSZAUXKN-FUDCBSFHSA-N 2 0 240.391 1.466 20 0 BDADRP C[N@H+](C[C@H](O)C[NH3+])C[C@H]1CC2CCC1CC2 ZINC000399890463 711436256 /nfs/dbraw/zinc/43/62/56/711436256.db2.gz JBIZPRHXYXEUJG-FIYWTHMPSA-N 2 0 226.364 1.064 20 0 BDADRP COC[C@@H](C[N@@H+]1CC[C@@H](CC[NH3+])C1)C(C)C ZINC000721922815 710692128 /nfs/dbraw/zinc/69/21/28/710692128.db2.gz WUUJRIBXPYSOCC-CHWSQXEVSA-N 2 0 228.380 1.576 20 0 BDADRP COC[C@H](C[N@@H+]1CC[C@@H](CC[NH3+])C1)C(C)C ZINC000721922818 710692919 /nfs/dbraw/zinc/69/29/19/710692919.db2.gz WUUJRIBXPYSOCC-OLZOCXBDSA-N 2 0 228.380 1.576 20 0 BDADRP CCC[N@@H+]1CC[C@H](NC(=O)CCCCC[NH3+])C1 ZINC000389822314 711091083 /nfs/dbraw/zinc/09/10/83/711091083.db2.gz UDBQRIUGHASGAT-LBPRGKRZSA-N 2 0 241.379 1.106 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@H]1CCC[NH2+][C@H]1C ZINC000396716412 711367222 /nfs/dbraw/zinc/36/72/22/711367222.db2.gz RIFCLHWTZZYDRK-XQQFMLRXSA-N 2 0 225.380 1.201 20 0 BDADRP CC[N@@H+]1CC[C@H](CN[C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000396728337 711369101 /nfs/dbraw/zinc/36/91/01/711369101.db2.gz XEOHBBFIMQZYOT-UPJWGTAASA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H]1CSC[C@@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000397798677 711391523 /nfs/dbraw/zinc/39/15/23/711391523.db2.gz KSEYQSHQICVFKJ-FBSIBHIPSA-N 2 0 238.400 1.324 20 0 BDADRP CC1(C)CN(CC[C@@H]2CCCCO2)C[C@@H]1[NH3+] ZINC000711083262 711456243 /nfs/dbraw/zinc/45/62/43/711456243.db2.gz UBGLBTGGZJJULB-RYUDHWBXSA-N 2 0 226.364 1.615 20 0 BDADRP CCO[C@@H]1C[N@H+](C[C@@H]2C[C@H]2CC)C[C@H]1C[NH3+] ZINC000723104611 711502974 /nfs/dbraw/zinc/50/29/74/711502974.db2.gz XONIAHIOQPAPLC-YVECIDJPSA-N 2 0 226.364 1.328 20 0 BDADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000723603096 711523932 /nfs/dbraw/zinc/52/39/32/711523932.db2.gz KQHOOIFCNFDWJP-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP Cc1nc(C)c(C[NH+]2CCC(CC[NH3+])CC2)o1 ZINC000723632001 711527674 /nfs/dbraw/zinc/52/76/74/711527674.db2.gz CIZPRMLROXMNMQ-UHFFFAOYSA-N 2 0 237.347 1.852 20 0 BDADRP CCc1nc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)cs1 ZINC000723713738 711535886 /nfs/dbraw/zinc/53/58/86/711535886.db2.gz ZMLZKDLTJVGBSM-SNVBAGLBSA-N 2 0 239.388 1.876 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@H]1CC[NH3+] ZINC000723887383 711543488 /nfs/dbraw/zinc/54/34/88/711543488.db2.gz TVIZGIKAANGAFK-UPJWGTAASA-N 2 0 226.364 1.472 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccno2)C[C@H]1CC[NH3+] ZINC000723900168 711544744 /nfs/dbraw/zinc/54/47/44/711544744.db2.gz JCOLKCUVXCQHHT-NXEZZACHSA-N 2 0 209.293 1.091 20 0 BDADRP Cc1nc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cs1 ZINC000723909692 711544881 /nfs/dbraw/zinc/54/48/81/711544881.db2.gz OZXRVIDSVQDAJR-MWLCHTKSSA-N 2 0 239.388 1.868 20 0 BDADRP C[NH+](C)CCC[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1 ZINC000723970760 711549560 /nfs/dbraw/zinc/54/95/60/711549560.db2.gz IJVOIZCYMBNVGC-KGLIPLIRSA-N 2 0 240.391 1.733 20 0 BDADRP CSC[C@H](C)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000382204925 711555300 /nfs/dbraw/zinc/55/53/00/711555300.db2.gz JZIPBECDRYTHRL-NEJQNHLGSA-N 2 0 226.389 1.324 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000724808136 711615943 /nfs/dbraw/zinc/61/59/43/711615943.db2.gz FKLOUHRZESCWSJ-OLZOCXBDSA-N 2 0 226.364 1.616 20 0 BDADRP C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000382233370 711644364 /nfs/dbraw/zinc/64/43/64/711644364.db2.gz QBFFTFMNAFIWTH-UJPLBGJFSA-N 2 0 238.400 1.466 20 0 BDADRP C1[NH2+][C@H]2[C@H]([NH2+][C@@H]3CCCOCC3)[C@H]3C[C@@H]1[C@@H]2C3 ZINC000383108714 711672478 /nfs/dbraw/zinc/67/24/78/711672478.db2.gz DSMIHOMHSKCQBL-BSCCGWMCSA-N 2 0 236.359 1.142 20 0 BDADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ncc[nH]1 ZINC000925711821 711711389 /nfs/dbraw/zinc/71/13/89/711711389.db2.gz SHXQHORKBVTBDF-WDEREUQCSA-N 2 0 222.336 1.593 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCOCCF)C1 ZINC000925715807 711712860 /nfs/dbraw/zinc/71/28/60/711712860.db2.gz HVIMTBYALOGUKK-QWRGUYRKSA-N 2 0 232.343 1.468 20 0 BDADRP C[C@@H]([NH3+])[C@H](NC[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000925721178 711716091 /nfs/dbraw/zinc/71/60/91/711716091.db2.gz AACJZCUQYCLISH-YUELXQCFSA-N 2 0 247.386 1.759 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@H]2CCCc3n[nH]cc32)CC1 ZINC000334483909 711716973 /nfs/dbraw/zinc/71/69/73/711716973.db2.gz YYPZUWVTFNXLEY-ZDUSSCGKSA-N 2 0 248.374 1.719 20 0 BDADRP COC[C@@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662292525 711736871 /nfs/dbraw/zinc/73/68/71/711736871.db2.gz NJPFQRHLFHSCBD-TZMCWYRMSA-N 2 0 240.391 1.733 20 0 BDADRP CN(C)c1cc[nH+]c(CN[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000925814301 711754868 /nfs/dbraw/zinc/75/48/68/711754868.db2.gz KFRWHDCPZXPVSK-RYUDHWBXSA-N 2 0 248.374 1.507 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)CCO1 ZINC000925845618 711760624 /nfs/dbraw/zinc/76/06/24/711760624.db2.gz MQHAEVDYQLPRAI-REWJHTLYSA-N 2 0 238.375 1.676 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cc2n(n1)CCC2 ZINC000925879375 711761851 /nfs/dbraw/zinc/76/18/51/711761851.db2.gz CMGYEUDJUPGCJR-UTUOFQBUSA-N 2 0 248.374 1.607 20 0 BDADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]C[C@]12C[C@H]1CCC2 ZINC000925880293 711761959 /nfs/dbraw/zinc/76/19/59/711761959.db2.gz IOYXQFFSYAOFDU-MRTXSQPYSA-N 2 0 238.375 1.519 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000925880154 711762009 /nfs/dbraw/zinc/76/20/09/711762009.db2.gz PAGHUPZVRRDCHL-QSLWVIQJSA-N 3 0 237.391 1.092 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000925880153 711762112 /nfs/dbraw/zinc/76/21/12/711762112.db2.gz PAGHUPZVRRDCHL-ODXJTPSBSA-N 3 0 237.391 1.092 20 0 BDADRP CSC(C)(C)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000229083615 711837606 /nfs/dbraw/zinc/83/76/06/711837606.db2.gz JRXIILWDKHKWQQ-ZJUUUORDSA-N 2 0 216.394 1.988 20 0 BDADRP CSC(C)(C)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000229083600 711837614 /nfs/dbraw/zinc/83/76/14/711837614.db2.gz JRXIILWDKHKWQQ-NXEZZACHSA-N 2 0 216.394 1.988 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CSCCS1 ZINC000229588959 711838560 /nfs/dbraw/zinc/83/85/60/711838560.db2.gz XTBGDNCUMRMMET-AXFHLTTASA-N 2 0 246.445 1.552 20 0 BDADRP CC1CC[NH+](CCNC2=[NH+]CCCCN2)CC1 ZINC000700044226 711984373 /nfs/dbraw/zinc/98/43/73/711984373.db2.gz PVMJRGHPDDWFGS-UHFFFAOYSA-N 2 0 238.379 1.047 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CCO[C@@H](CCF)C1 ZINC000700589918 711999194 /nfs/dbraw/zinc/99/91/94/711999194.db2.gz DLWVODYQMCRFHE-LBPRGKRZSA-N 2 0 232.343 1.566 20 0 BDADRP C[NH+](C)C1CC([NH2+][C@@H]2CCCSC2)C1 ZINC000701486877 712024493 /nfs/dbraw/zinc/02/44/93/712024493.db2.gz YPDVAUCVNPGUPT-KPPDAEKUSA-N 2 0 214.378 1.564 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]CCC2CC(O)C2)C12CCC2 ZINC000702450210 712053727 /nfs/dbraw/zinc/05/37/27/712053727.db2.gz LLCWNXUHFCGIFW-QQFIATSDSA-N 2 0 224.348 1.007 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCC2CC(O)C2)C12CCC2 ZINC000702450208 712053796 /nfs/dbraw/zinc/05/37/96/712053796.db2.gz LLCWNXUHFCGIFW-KIDURHIOSA-N 2 0 224.348 1.007 20 0 BDADRP FC1(CC[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CCC1 ZINC000702479986 712054616 /nfs/dbraw/zinc/05/46/16/712054616.db2.gz RAGXACHCIJHMSZ-NWBUJAPZSA-N 2 0 238.350 1.855 20 0 BDADRP C[C@H](F)CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000702613124 712057055 /nfs/dbraw/zinc/05/70/55/712057055.db2.gz YMGFUPNVCBAUBK-NEJQNHLGSA-N 2 0 212.312 1.321 20 0 BDADRP COC1CC(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)C1 ZINC000703161178 712067263 /nfs/dbraw/zinc/06/72/63/712067263.db2.gz BQLNGAJZZHUPPT-ZYGVAYEYSA-N 2 0 212.337 1.223 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000703584950 712080075 /nfs/dbraw/zinc/08/00/75/712080075.db2.gz WSUUXEYSUZFBID-KXNHARMFSA-N 2 0 212.337 1.223 20 0 BDADRP CC1(O)CCC([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000703599564 712080556 /nfs/dbraw/zinc/08/05/56/712080556.db2.gz AANYMYMAPLFNCN-CQLXCSJHSA-N 2 0 226.364 1.540 20 0 BDADRP CC1(O)CCC([NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000703605262 712081836 /nfs/dbraw/zinc/08/18/36/712081836.db2.gz NFTDXPMKCYDJSX-QBHFIFKDSA-N 2 0 238.375 1.540 20 0 BDADRP C[C@H]([NH2+]C1CCC(C)(O)CC1)[C@H]1CCC[NH2+]1 ZINC000703603087 712082178 /nfs/dbraw/zinc/08/21/78/712082178.db2.gz CJLWYCXSJDIRFL-GMKTYKIGSA-N 2 0 226.364 1.410 20 0 BDADRP COC1CC(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000703851317 712090501 /nfs/dbraw/zinc/09/05/01/712090501.db2.gz NYWDMLKDWBVMFV-BEZKJRAVSA-N 2 0 224.348 1.081 20 0 BDADRP C[N@H+](CCCCCCC[NH3+])Cc1cnccn1 ZINC000704159304 712101115 /nfs/dbraw/zinc/10/11/15/712101115.db2.gz FZBJMYZEJSLNLG-UHFFFAOYSA-N 2 0 236.363 1.818 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CCSC1)[C@H]1CC[NH2+]C1 ZINC000704777986 712116118 /nfs/dbraw/zinc/11/61/18/712116118.db2.gz WLSIYADWASTHER-TUAOUCFPSA-N 2 0 228.405 1.717 20 0 BDADRP Cc1cc(N(C)C[C@H]2CCC[N@H+](C)C2)nc(N)[nH+]1 ZINC000705151832 712123463 /nfs/dbraw/zinc/12/34/63/712123463.db2.gz NIIWDBQCHJKFMR-NSHDSACASA-N 2 0 249.362 1.145 20 0 BDADRP CSC1CC([NH2+]CCC[NH+](C)C)C1 ZINC000706957194 712163638 /nfs/dbraw/zinc/16/36/38/712163638.db2.gz LAIKALHNIUFQBP-UHFFFAOYSA-N 2 0 202.367 1.422 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@@]3(CCOC3)C2)C1 ZINC000707638414 712175975 /nfs/dbraw/zinc/17/59/75/712175975.db2.gz XPZZIBJJFCWVST-YNEHKIRRSA-N 2 0 224.348 1.226 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC000708321752 712186162 /nfs/dbraw/zinc/18/61/62/712186162.db2.gz ACGBIZUZPUCNGT-AVGNSLFASA-N 2 0 240.391 1.861 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)CC[C@@H]1[NH3+] ZINC000708325838 712187711 /nfs/dbraw/zinc/18/77/11/712187711.db2.gz YESNWMVNFSIIAR-WOPDTQHZSA-N 2 0 226.364 1.471 20 0 BDADRP CC1(C)CO[C@@H](C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000708347564 712189923 /nfs/dbraw/zinc/18/99/23/712189923.db2.gz JQQPAVHQDURORB-OCCSQVGLSA-N 2 0 238.375 1.487 20 0 BDADRP CC1(C)C[C@H](C[N@@H+]2CC[C@H](C[NH3+])C2)C(C)(C)O1 ZINC000709687400 712215638 /nfs/dbraw/zinc/21/56/38/712215638.db2.gz PRRAMGNZXOOCNC-VXGBXAGGSA-N 2 0 240.391 1.861 20 0 BDADRP C[C@H]([NH3+])C[N@H+](C)C[C@@H]1CC(C)(C)OC1(C)C ZINC000709695310 712216398 /nfs/dbraw/zinc/21/63/98/712216398.db2.gz DRPMNHPJKOARAT-QWRGUYRKSA-N 2 0 228.380 1.859 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1C[C@H](O)C1(C)C)[NH2+]2 ZINC000709415423 712221247 /nfs/dbraw/zinc/22/12/47/712221247.db2.gz QWEKBHBVCVNERJ-XARVFOJUSA-N 2 0 238.375 1.264 20 0 BDADRP C[C@H](O)[C@H]1CCC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000709414403 712221266 /nfs/dbraw/zinc/22/12/66/712221266.db2.gz JHVCLUMBCUTJLR-JSGCOSHPSA-N 2 0 240.391 1.421 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1C[C@@H](O)C1(C)C)[NH2+]2 ZINC000709415416 712221513 /nfs/dbraw/zinc/22/15/13/712221513.db2.gz QWEKBHBVCVNERJ-NMIFLECGSA-N 2 0 238.375 1.264 20 0 BDADRP C[NH+](C)C1(C)CC[NH+](CCC2(O)CCC2)CC1 ZINC000709814553 712228314 /nfs/dbraw/zinc/22/83/14/712228314.db2.gz JXJYXCGHCFWNMI-UHFFFAOYSA-N 2 0 240.391 1.708 20 0 BDADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H]1CCCCO1)C2 ZINC000709825576 712228598 /nfs/dbraw/zinc/22/85/98/712228598.db2.gz KCMINBIOHQMMOV-RNJOBUHISA-N 2 0 224.348 1.367 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2ccns2)C12CCC2 ZINC000709969195 712236040 /nfs/dbraw/zinc/23/60/40/712236040.db2.gz YQVPBAGHPSZGEM-GHMZBOCLSA-N 2 0 237.372 1.545 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCc2ccns2)C1 ZINC000710028996 712241824 /nfs/dbraw/zinc/24/18/24/712241824.db2.gz ZRSHFBXPEUKKCX-NXEZZACHSA-N 2 0 225.361 1.545 20 0 BDADRP C[NH+](C)CC1(O)CC[NH+](C/C=C/Cl)CC1 ZINC000710640878 712264770 /nfs/dbraw/zinc/26/47/70/712264770.db2.gz GGSBAZQGTZBNDK-ZZXKWVIFSA-N 2 0 232.755 1.127 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)CN1CCC[C@H](CF)C1 ZINC000711450110 712301478 /nfs/dbraw/zinc/30/14/78/712301478.db2.gz JHDJBKCOICVKPZ-OLZOCXBDSA-N 2 0 246.370 1.369 20 0 BDADRP FC[C@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000711456072 712304560 /nfs/dbraw/zinc/30/45/60/712304560.db2.gz QXPJOGYJCXAGLC-VXGBXAGGSA-N 2 0 214.328 1.668 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711531578 712309896 /nfs/dbraw/zinc/30/98/96/712309896.db2.gz AKRDERZGYGURAB-GRYCIOLGSA-N 2 0 228.405 1.655 20 0 BDADRP C(C[N@@H+]1C[C@@H]2CSC[C@@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000711538859 712309955 /nfs/dbraw/zinc/30/99/55/712309955.db2.gz ZGVMLOMGGHLNAT-SDDRHHMPSA-N 2 0 226.389 1.281 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)CC1CC(C)C1 ZINC000711666399 712318795 /nfs/dbraw/zinc/31/87/95/712318795.db2.gz NYCHPQXLAJBQHZ-UHFFFAOYSA-N 2 0 214.353 1.200 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCCCN1CCOC1CC1 ZINC000711732669 712321203 /nfs/dbraw/zinc/32/12/03/712321203.db2.gz RSGYUVQSNQDHTR-CMPLNLGQSA-N 2 0 212.337 1.367 20 0 BDADRP C[C@@H]1CC[N@H+](CCOC2CC2)C[C@H]1C[NH3+] ZINC000711754298 712324803 /nfs/dbraw/zinc/32/48/03/712324803.db2.gz UDRAYRKKLQBKEE-GHMZBOCLSA-N 2 0 212.337 1.082 20 0 BDADRP C1=C[C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000711758238 712325232 /nfs/dbraw/zinc/32/52/32/712325232.db2.gz HDPUOUBJJLYBIM-RFQIPJPRSA-N 2 0 220.360 1.930 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](CCOC2CC2)C[C@@H]1C[NH3+] ZINC000711783849 712329398 /nfs/dbraw/zinc/32/93/98/712329398.db2.gz BOZDMWNANXTNAS-WOPDTQHZSA-N 2 0 226.364 1.471 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](Cc2nc3c(o2)CCCC3)C1 ZINC000923478950 712334289 /nfs/dbraw/zinc/33/42/89/712334289.db2.gz JYWGHKBBJDKCIY-NSHDSACASA-N 2 0 249.358 1.724 20 0 BDADRP Cn1ncc(C[NH2+]CCCC[NH+](C)C)c1Cl ZINC000378713317 712358726 /nfs/dbraw/zinc/35/87/26/712358726.db2.gz VYHZHAGAXJVPRU-UHFFFAOYSA-N 2 0 244.770 1.505 20 0 BDADRP C[NH2+]CCC[N@H+](C)C[C@H](COC)C(C)C ZINC000721916599 712391054 /nfs/dbraw/zinc/39/10/54/712391054.db2.gz YWFNKKPMVKKQHU-GFCCVEGCSA-N 2 0 216.369 1.446 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000712438282 712429713 /nfs/dbraw/zinc/42/97/13/712429713.db2.gz OASJFDLRVUFNBC-YNEHKIRRSA-N 2 0 238.375 1.757 20 0 BDADRP C[N@@H+]1CCN(C[C@]2(C)CC[NH2+]C2)CCC1(C)C ZINC000712609430 712437288 /nfs/dbraw/zinc/43/72/88/712437288.db2.gz OEFRSCLNXGVLPQ-CQSZACIVSA-N 2 0 239.407 1.402 20 0 BDADRP [NH3+]C1(C[NH2+]CC[C@@H]2C[C@H]2C2CC2)CCC1 ZINC000712651420 712439521 /nfs/dbraw/zinc/43/95/21/712439521.db2.gz KCFJWWJKVKXYBW-NEPJUHHUSA-N 2 0 208.349 1.894 20 0 BDADRP C[N@@H+]1CCN(C(=O)CCCC[NH3+])CCC1(C)C ZINC000712671460 712440323 /nfs/dbraw/zinc/44/03/23/712440323.db2.gz CENNLVOWSVUJEC-UHFFFAOYSA-N 2 0 241.379 1.058 20 0 BDADRP [NH3+]C1CC[NH+](CC[C@@H]2C[C@H]2C2CC2)CC1 ZINC000712686530 712440497 /nfs/dbraw/zinc/44/04/97/712440497.db2.gz PSAYBOQGGSXNOC-YPMHNXCESA-N 2 0 208.349 1.846 20 0 BDADRP CC(C)OCCN1CC[NH2+]CCC12CCC2 ZINC000713203804 712454794 /nfs/dbraw/zinc/45/47/94/712454794.db2.gz IUXWDPFJSGMMCF-UHFFFAOYSA-N 2 0 226.364 1.629 20 0 BDADRP C[NH2+]CCN(C)CCCOC(F)(F)F ZINC000713400449 712459271 /nfs/dbraw/zinc/45/92/71/712459271.db2.gz NYMZWGPCEIKLMC-UHFFFAOYSA-N 2 0 214.231 1.064 20 0 BDADRP C=C/C=C\CC[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000713642428 712467706 /nfs/dbraw/zinc/46/77/06/712467706.db2.gz LIXANZWHHYXCFF-OEFFGFFESA-N 2 0 206.333 1.660 20 0 BDADRP C=C/C=C/CC[NH+]1CCC(OCCC[NH3+])CC1 ZINC000713747192 712471096 /nfs/dbraw/zinc/47/10/96/712471096.db2.gz GMGCMPHZFUYDNO-ONEGZZNKSA-N 2 0 238.375 1.949 20 0 BDADRP CCCn1cc(C[NH2+]CCCC[NH+](C)C)nn1 ZINC000714471300 712491369 /nfs/dbraw/zinc/49/13/69/712491369.db2.gz WURVCCZHNYPPTD-UHFFFAOYSA-N 2 0 239.367 1.120 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@H](C)CCCC[NH3+])C1 ZINC000714642607 712495187 /nfs/dbraw/zinc/49/51/87/712495187.db2.gz ZFAPBYKZOOZJFH-IJLUTSLNSA-N 2 0 214.353 1.519 20 0 BDADRP CCC1([NH3+])CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000714754072 712497901 /nfs/dbraw/zinc/49/79/01/712497901.db2.gz PBFJKBDVVFWWNC-NSHDSACASA-N 2 0 228.405 1.943 20 0 BDADRP CCC1([NH+](C)C)CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000715178163 712513290 /nfs/dbraw/zinc/51/32/90/712513290.db2.gz JJTGHNILASZRQR-ZDUSSCGKSA-N 2 0 240.391 1.564 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000715236464 712514113 /nfs/dbraw/zinc/51/41/13/712514113.db2.gz RJXSXJAOSDFAJC-MGPQQGTHSA-N 2 0 242.407 2.000 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](C[C@H]2CC[C@@H](C3CC3)O2)C1 ZINC000715493414 712523509 /nfs/dbraw/zinc/52/35/09/712523509.db2.gz BYFRHEVXVUFTFA-HZSPNIEDSA-N 2 0 238.375 1.615 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H](C3CC3)O2)C1 ZINC000715509174 712524459 /nfs/dbraw/zinc/52/44/59/712524459.db2.gz MIUQNUNEVZQLKV-FPMFFAJLSA-N 2 0 238.375 1.615 20 0 BDADRP C[NH+](C)C1(C)CCC([NH2+]Cc2cncnc2)CC1 ZINC000715510282 712524632 /nfs/dbraw/zinc/52/46/32/712524632.db2.gz OUSDTAPMDYOUIK-UHFFFAOYSA-N 2 0 248.374 1.829 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@H]2CC[C@H](C3CC3)O2)C1 ZINC000715511683 712524723 /nfs/dbraw/zinc/52/47/23/712524723.db2.gz STZVTGUQECZCDC-IGHBBLSQSA-N 2 0 238.375 1.613 20 0 BDADRP C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)C1C[NH2+]C1 ZINC000715561394 712528955 /nfs/dbraw/zinc/52/89/55/712528955.db2.gz JXVMRWTUTWVYHL-XGNXJENSSA-N 3 0 239.407 1.447 20 0 BDADRP Cc1cc(N[C@@H]2CCC[C@H]([NH+](C)C)C2)nc(N)[nH+]1 ZINC000715569993 712529235 /nfs/dbraw/zinc/52/92/35/712529235.db2.gz JMFVPPFNGVIBMO-MNOVXSKESA-N 2 0 249.362 1.652 20 0 BDADRP C[NH+]1CCC(NC(=O)CCCCCC[NH3+])CC1 ZINC000037267540 712565105 /nfs/dbraw/zinc/56/51/05/712565105.db2.gz GUTXYIUENFHDBO-UHFFFAOYSA-N 2 0 241.379 1.106 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000716841435 712577865 /nfs/dbraw/zinc/57/78/65/712577865.db2.gz DZQKAWIXSJKMGC-GRYCIOLGSA-N 2 0 226.364 1.397 20 0 BDADRP CC1(C)CO[C@H](C[NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC000717283707 712644663 /nfs/dbraw/zinc/64/46/63/712644663.db2.gz FGKOVDNKRHKGBN-SRVKXCTJSA-N 2 0 226.364 1.519 20 0 BDADRP CC(C)(C)C[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000717293168 712645429 /nfs/dbraw/zinc/64/54/29/712645429.db2.gz VLPLOEUPFMPVIX-SECBINFHSA-N 2 0 220.307 1.867 20 0 BDADRP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@H]1CC(C)(C)CO1 ZINC000717653467 712663288 /nfs/dbraw/zinc/66/32/88/712663288.db2.gz WYYWMNGXZAASMY-DGCLKSJQSA-N 2 0 228.380 1.765 20 0 BDADRP C1CC1[N@@H+]1CC[C@@H](N[C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925495682 712698641 /nfs/dbraw/zinc/69/86/41/712698641.db2.gz NGHNQCLHGOSVHA-OCCSQVGLSA-N 2 0 249.402 1.487 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH2+]C1(C2CC2)CCC1 ZINC000717885482 712731540 /nfs/dbraw/zinc/73/15/40/712731540.db2.gz SPPJDLAQOVGWOU-LBPRGKRZSA-N 2 0 226.364 1.221 20 0 BDADRP C[N@H+](CCCC(C)(F)F)C1CC([NH3+])C1 ZINC000718600142 712775799 /nfs/dbraw/zinc/77/57/99/712775799.db2.gz KOZREFWDFAPOHU-UHFFFAOYSA-N 2 0 206.280 1.843 20 0 BDADRP COCC(C)(C)CC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000718746695 712779824 /nfs/dbraw/zinc/77/98/24/712779824.db2.gz WTXBMHZUNUGSNF-RYUDHWBXSA-N 2 0 240.391 1.909 20 0 BDADRP CC[NH+]1CCC(N[C@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000719626563 712814135 /nfs/dbraw/zinc/81/41/35/712814135.db2.gz SYJBJGCSCNDBAG-AAEUAGOBSA-N 2 0 225.380 1.153 20 0 BDADRP C[C@@H]1[C@H](N[C@@H]2CC[NH+]3CCC[C@H]3C2)CC[N@@H+]1C ZINC000719611179 712816803 /nfs/dbraw/zinc/81/68/03/712816803.db2.gz DTGJHFIEKIQCIM-YIYPIFLZSA-N 2 0 237.391 1.295 20 0 BDADRP C[C@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)CCO1 ZINC000719784806 712824457 /nfs/dbraw/zinc/82/44/57/712824457.db2.gz YZUSZZUQSSPZJJ-NWDGAFQWSA-N 2 0 212.337 1.097 20 0 BDADRP C[N@H+](C[C@@]1(C)CCC[NH2+]C1)[C@H]1CCOC1 ZINC000250811736 712834613 /nfs/dbraw/zinc/83/46/13/712834613.db2.gz UTCSNLJOYZSOLR-RYUDHWBXSA-N 2 0 212.337 1.097 20 0 BDADRP Cc1conc1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000720380308 712837295 /nfs/dbraw/zinc/83/72/95/712837295.db2.gz RKULQWHRHWJABB-SNVBAGLBSA-N 2 0 223.320 1.542 20 0 BDADRP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2c1cc[nH+]c(CO)c1 ZINC000720483278 712846541 /nfs/dbraw/zinc/84/65/41/712846541.db2.gz JHLRRHIIHXVWPG-KBPBESRZSA-N 2 0 247.342 1.247 20 0 BDADRP Cc1cc(N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)nc(N)[nH+]1 ZINC000720828645 712868980 /nfs/dbraw/zinc/86/89/80/712868980.db2.gz IXPXFLDOAUIBLA-MNOVXSKESA-N 2 0 247.346 1.040 20 0 BDADRP C([C@@H]1C[C@H]2CCC[C@H]2O1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000720866843 712871881 /nfs/dbraw/zinc/87/18/81/712871881.db2.gz DVDTVBRUSAZUDS-PEBLQZBPSA-N 2 0 236.359 1.095 20 0 BDADRP CC[C@H](C)[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720869947 712871977 /nfs/dbraw/zinc/87/19/77/712871977.db2.gz AHEGJGOCWWIQKH-CIUDSAMLSA-N 2 0 224.270 1.854 20 0 BDADRP [NH3+]C[C@H]1C[N@H+](CC2CC2)C[C@@H]1C(F)(F)F ZINC000720872097 712872010 /nfs/dbraw/zinc/87/20/10/712872010.db2.gz OCGDHNWCJSYAQE-IUCAKERBSA-N 2 0 222.254 1.465 20 0 BDADRP [NH3+]C[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1C(F)(F)F ZINC000720874701 712872592 /nfs/dbraw/zinc/87/25/92/712872592.db2.gz ZDAWAWPBVWRCHG-ZJUUUORDSA-N 2 0 236.281 1.856 20 0 BDADRP CCCC[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720873574 712873508 /nfs/dbraw/zinc/87/35/08/712873508.db2.gz SBKBVDUDPAYPFN-DTWKUNHWSA-N 2 0 224.270 1.856 20 0 BDADRP CC1(C[NH2+]C2CC[NH2+]CC2)CC(F)(F)C1 ZINC000720991663 712886451 /nfs/dbraw/zinc/88/64/51/712886451.db2.gz HBCXGWJLXBKRIV-UHFFFAOYSA-N 2 0 218.291 1.763 20 0 BDADRP CCC[NH+]1C[C@@H]2C[NH+](CCCCOC)C[C@H]2C1 ZINC001209219038 957366324 /nfs/dbraw/zinc/36/63/24/957366324.db2.gz AFFIGWISBVJZST-ZIAGYGMSSA-N 2 0 240.391 1.687 20 0 BDADRP CO[C@@H]1CC[C@H]1[N@H+](C)CCCCCC[NH3+] ZINC000724151676 958738555 /nfs/dbraw/zinc/73/85/55/958738555.db2.gz ITGZJIIIITWSOD-VXGBXAGGSA-N 2 0 214.353 1.615 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](CCC2SCCS2)C1 ZINC000693778334 959280672 /nfs/dbraw/zinc/28/06/72/959280672.db2.gz WUHBVMPINVXQLU-VIFPVBQESA-N 2 0 232.418 1.463 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CC[C@@](C)(O)[C@@H](F)C2)CC1 ZINC001207391270 959625027 /nfs/dbraw/zinc/62/50/27/959625027.db2.gz AESOEMHFYWLEJF-QWHCGFSZSA-N 2 0 244.354 1.123 20 0 BDADRP CC(C)[C@@H](CO)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000309361455 959857253 /nfs/dbraw/zinc/85/72/53/959857253.db2.gz OUIIUYJMGGHAAT-WXRRBKDZSA-N 2 0 228.380 1.466 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709488528 960621948 /nfs/dbraw/zinc/62/19/48/960621948.db2.gz QPPJKAXTMXFTHC-VKYHIEHISA-N 2 0 224.348 1.284 20 0 BDADRP C[C@@H]1CC(C[N@@H+]2CC[C@](C)([NH3+])C2)C[C@@H](C)O1 ZINC000724417586 961430361 /nfs/dbraw/zinc/43/03/61/961430361.db2.gz LZWGATGDWGEILR-WZRBSPASSA-N 2 0 226.364 1.613 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCCOCC1 ZINC000710454339 962381868 /nfs/dbraw/zinc/38/18/68/962381868.db2.gz LTUJFPWQXNYCQW-CHWSQXEVSA-N 2 0 226.364 1.629 20 0 BDADRP [NH2+]=C(NCCCC[NH3+])Nc1cccc(Cl)n1 ZINC001157094894 963532295 /nfs/dbraw/zinc/53/22/95/963532295.db2.gz YKMRRMGBVLWZJD-UHFFFAOYSA-N 2 0 241.726 1.410 20 0 BDADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1CC[C@H]1C ZINC001157922113 963766147 /nfs/dbraw/zinc/76/61/47/963766147.db2.gz DZXLJBHHUKMRLN-NEPJUHHUSA-N 2 0 241.379 1.103 20 0 BDADRP CC[NH2+][C@H](CNC(=O)C[N@H+](C)C(C)C)C(C)C ZINC001482573182 963804736 /nfs/dbraw/zinc/80/47/36/963804736.db2.gz VJVAKBORUYBQOV-GFCCVEGCSA-N 2 0 243.395 1.077 20 0 BDADRP COc1ccc(Cl)nc1N[C@@H]([NH3+])CCC[NH3+] ZINC001159786226 964202153 /nfs/dbraw/zinc/20/21/53/964202153.db2.gz XCXLEFPOKMSXKZ-SECBINFHSA-N 2 0 244.726 1.179 20 0 BDADRP C[C@@H](CC[NH2+][C@@H]1CCO[C@H]1C)[NH+](C)C ZINC000697857871 964568489 /nfs/dbraw/zinc/56/84/89/964568489.db2.gz KWCLGVUINOGSQR-GARJFASQSA-N 2 0 200.326 1.094 20 0 BDADRP OC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC001168362796 964651174 /nfs/dbraw/zinc/65/11/74/964651174.db2.gz JOSXBGMGPLZIQZ-AWEZNQCLSA-N 2 0 238.375 1.221 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]CC[C@@H](C)[NH+](C)C)CCO1 ZINC000697911251 964676981 /nfs/dbraw/zinc/67/69/81/964676981.db2.gz YQEDWPQXWZFPOU-FRRDWIJNSA-N 2 0 228.380 1.874 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H]2COC[C@H]2CC)CC1 ZINC000699546791 965968857 /nfs/dbraw/zinc/96/88/57/965968857.db2.gz YFBFQVWRKKHEMG-OCCSQVGLSA-N 2 0 240.391 1.875 20 0 BDADRP C[NH+](C)C1CCC([NH2+]C[C@@H](O)C(C)(C)C)CC1 ZINC000715581969 967194958 /nfs/dbraw/zinc/19/49/58/967194958.db2.gz VJVAHHNQZYOPQG-WXRRBKDZSA-N 2 0 242.407 1.856 20 0 BDADRP Cn1cnc(C[NH2+]C2CCC([NH+](C)C)CC2)c1 ZINC000715584142 967195238 /nfs/dbraw/zinc/19/52/38/967195238.db2.gz OJNIULMQQBDPGS-UHFFFAOYSA-N 2 0 236.363 1.383 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2cnccc2Cl)CC1 ZINC001205033754 967295943 /nfs/dbraw/zinc/29/59/43/967295943.db2.gz QFHFUJYHGOFUJS-UHFFFAOYSA-N 2 0 239.750 1.906 20 0 BDADRP C[C@@H]1CCNCC[N@@H+]1CC1(C)CC[NH2+]CC1 ZINC001205324719 967539737 /nfs/dbraw/zinc/53/97/37/967539737.db2.gz FPMYSALWRZYFTG-GFCCVEGCSA-N 2 0 225.380 1.060 20 0 BDADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2ccco2)CC1 ZINC001205546032 967685851 /nfs/dbraw/zinc/68/58/51/967685851.db2.gz PFDCQZHWYPVCKP-LBPRGKRZSA-N 2 0 226.295 1.933 20 0 BDADRP C[C@H]1CC[C@@H](C[NH3+])N(CC(C)(C)C[NH+](C)C)C1 ZINC001205805683 967830695 /nfs/dbraw/zinc/83/06/95/967830695.db2.gz RJHDDPLTFCCMOD-STQMWFEESA-N 2 0 241.423 1.633 20 0 BDADRP COC1CC(C[N@@H+]2CCC[C@H](C[NH3+])C2)C1 ZINC000703840777 967878919 /nfs/dbraw/zinc/87/89/19/967878919.db2.gz FIBPLKIQCZDVDB-VOMCLLRMSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@H+](CCCC[NH3+])CC1 ZINC001206292536 968201304 /nfs/dbraw/zinc/20/13/04/968201304.db2.gz CPCHBMMYEWKCBN-LBPRGKRZSA-N 3 0 213.369 1.176 20 0 BDADRP CCC[C@H](O)C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC001252798589 968982543 /nfs/dbraw/zinc/98/25/43/968982543.db2.gz CFFHJEMNIFGJEP-OLZOCXBDSA-N 2 0 228.380 1.469 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)CC1 ZINC001208592214 969149376 /nfs/dbraw/zinc/14/93/76/969149376.db2.gz DZRHKDDFCNNKDQ-TZMCWYRMSA-N 2 0 240.391 1.421 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@@H](OC)C2)CC1 ZINC001208595488 969152288 /nfs/dbraw/zinc/15/22/88/969152288.db2.gz USIBKNKAJQIALC-CQSZACIVSA-N 2 0 240.391 1.829 20 0 BDADRP COCC1CC[NH+](C[C@H]2CCC[N@H+](C)C2)CC1 ZINC001208604553 969153666 /nfs/dbraw/zinc/15/36/66/969153666.db2.gz QGTDPWPROCWSKG-AWEZNQCLSA-N 2 0 240.391 1.687 20 0 BDADRP CC[N@H+](CC1CC[NH+](CC)CC1)CC(C)(C)O ZINC001208601224 969158544 /nfs/dbraw/zinc/15/85/44/969158544.db2.gz KPEWXQAUTFIGLI-UHFFFAOYSA-N 2 0 242.407 1.811 20 0 BDADRP CC[NH+]1CCC(C[N@H+](C)CCC(=O)OC)CC1 ZINC001208602078 969157053 /nfs/dbraw/zinc/15/70/53/969157053.db2.gz XQKNNNVKRDQLOQ-UHFFFAOYSA-N 2 0 242.363 1.213 20 0 BDADRP C[C@@H]1COCC[N@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208607911 969164160 /nfs/dbraw/zinc/16/41/60/969164160.db2.gz NUXNRRMEFDHZDV-STQMWFEESA-N 2 0 226.364 1.297 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH+]2C[C@@H]3CCO[C@@H]3C2)C1 ZINC001208618297 969175478 /nfs/dbraw/zinc/17/54/78/969175478.db2.gz VUKIUBOYSFXKRD-RWMBFGLXSA-N 2 0 224.348 1.049 20 0 BDADRP C[NH+]1CCC2(C[NH+](CCC3CC3)C2)CC1 ZINC001208688585 969195105 /nfs/dbraw/zinc/19/51/05/969195105.db2.gz OBQUWWKEXCOCTQ-UHFFFAOYSA-N 2 0 208.349 1.814 20 0 BDADRP CCOC(=O)CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169078813 969398270 /nfs/dbraw/zinc/39/82/70/969398270.db2.gz HJZNGJSDFCOVAD-CNDDSTCGSA-N 2 0 240.347 1.154 20 0 BDADRP CC(C)[C@@H](O)C[NH2+][C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001253786093 969406737 /nfs/dbraw/zinc/40/67/37/969406737.db2.gz VGGSDYFGVOEYGB-AVGNSLFASA-N 2 0 228.380 1.466 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H]1CCOC1)C2 ZINC001169091458 969408335 /nfs/dbraw/zinc/40/83/35/969408335.db2.gz ROKXXXGYSKOMCD-RVMXOQNASA-N 2 0 224.348 1.238 20 0 BDADRP COC[C@H]1CCCC[N@@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254515693 969687312 /nfs/dbraw/zinc/68/73/12/969687312.db2.gz AYJLHBLYEUEKEZ-ZIAGYGMSSA-N 2 0 240.391 1.972 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH+]2CCCC[C@H](O)C2)CC1 ZINC001254517291 969700830 /nfs/dbraw/zinc/70/08/30/969700830.db2.gz UATRGTGFXYZSNS-STQMWFEESA-N 2 0 226.364 1.318 20 0 BDADRP C[C@@H]1C[N@@H+]([C@@H]2CCC[NH+](C)CC2)CC[C@@H]1O ZINC001254517722 969702879 /nfs/dbraw/zinc/70/28/79/969702879.db2.gz YJYQCPFQMQVTHB-UPJWGTAASA-N 2 0 226.364 1.173 20 0 BDADRP CC[N@H+](CCC(=O)OC)[C@@H]1CCC[NH+](C)CC1 ZINC001254532083 969724409 /nfs/dbraw/zinc/72/44/09/969724409.db2.gz OUAYGQMJDFWNGD-GFCCVEGCSA-N 2 0 242.363 1.356 20 0 BDADRP CCOC(=O)[C@H]1CCC[C@@H]([NH2+]C2CC([NH3+])C2)C1 ZINC001255353873 970123460 /nfs/dbraw/zinc/12/34/60/970123460.db2.gz PYUXMWBPHGOHOZ-UZEXVOJHSA-N 2 0 240.347 1.188 20 0 BDADRP C[NH+](C)C[C@@H]1CCCN1[C@@H]1CCC[N@H+](C)C1 ZINC001255488080 970231847 /nfs/dbraw/zinc/23/18/47/970231847.db2.gz XOJZDIBIULSBHQ-QWHCGFSZSA-N 2 0 225.380 1.107 20 0 BDADRP C[NH+](C)CCC[N@H+](C)[C@@H]1CCOC(C)(C)C1 ZINC001255534292 970302706 /nfs/dbraw/zinc/30/27/06/970302706.db2.gz CGNMWAHUEYVWMK-GFCCVEGCSA-N 2 0 228.380 1.828 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]CCOC ZINC001255940348 970568530 /nfs/dbraw/zinc/56/85/30/970568530.db2.gz YEGTTXULHYPFRS-LLVKDONJSA-N 2 0 202.342 1.343 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+][C@H]1CC[C@@H](O)CC1 ZINC001255942801 970576251 /nfs/dbraw/zinc/57/62/51/970576251.db2.gz BEARMQITGWZNDU-MELADBBJSA-N 2 0 242.407 2.000 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+][C@H]1C[C@@H](CO)C1 ZINC001255942070 970578395 /nfs/dbraw/zinc/57/83/95/970578395.db2.gz BTZLDEIDDZQBCT-RWMBFGLXSA-N 2 0 228.380 1.467 20 0 BDADRP CC[NH+](CC)CC[C@H](C)NC[C@@H]1CC[N@H+](C)C1 ZINC001255944681 970579241 /nfs/dbraw/zinc/57/92/41/970579241.db2.gz XSQKDFYJYBDXBZ-KBPBESRZSA-N 2 0 241.423 1.648 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H](CO)C1CC1 ZINC001255951043 970582909 /nfs/dbraw/zinc/58/29/09/970582909.db2.gz MASLLZBCAIHTLO-YPMHNXCESA-N 2 0 228.380 1.467 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC[C@@H](CO)C1 ZINC001255954785 970586184 /nfs/dbraw/zinc/58/61/84/970586184.db2.gz HZIWPJQBRBHNGM-ZIAGYGMSSA-N 2 0 242.407 1.811 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@@](C)(O)C1 ZINC001255962903 970599954 /nfs/dbraw/zinc/59/99/54/970599954.db2.gz BWAYYGFXNKKVIK-UONOGXRCSA-N 2 0 242.407 1.954 20 0 BDADRP CCC(CC)C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000305216243 970711981 /nfs/dbraw/zinc/71/19/81/970711981.db2.gz SEFFSVGNXFATDP-UHFFFAOYSA-N 2 0 242.407 1.859 20 0 BDADRP CC[NH+](CC)C1CCC([NH2+]C[C@H](O)CF)CC1 ZINC001173109239 975025770 /nfs/dbraw/zinc/02/57/70/975025770.db2.gz AFZZGHBGTJVFMR-WXRRBKDZSA-N 2 0 246.370 1.559 20 0 BDADRP [NH3+]CCCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC001332879386 975303678 /nfs/dbraw/zinc/30/36/78/975303678.db2.gz QLENHXCTNFZNKS-ZIAGYGMSSA-N 3 0 239.407 1.483 20 0 BDADRP CC[N@@H+]1CC[C@H](n2ccnc2CCC[NH3+])C1 ZINC001173358240 975321019 /nfs/dbraw/zinc/32/10/19/975321019.db2.gz YNAUKHHHLPWPGF-NSHDSACASA-N 2 0 222.336 1.041 20 0 BDADRP COC(=O)CCCC[C@@H](C)[N@H+](C)C[C@H](C)C[NH3+] ZINC001173444552 975383066 /nfs/dbraw/zinc/38/30/66/975383066.db2.gz KLAKAHNNFNSBNP-VXGBXAGGSA-N 2 0 244.379 1.635 20 0 BDADRP CCOC(=O)C[C@H]1CCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC001335284602 976923420 /nfs/dbraw/zinc/92/34/20/976923420.db2.gz FEYZDKLFTDVNNM-GRYCIOLGSA-N 2 0 240.347 1.141 20 0 BDADRP COC(=O)[C@H](C)C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206292545 978282402 /nfs/dbraw/zinc/28/24/02/978282402.db2.gz CXBYQTQTKJOCRW-DGCLKSJQSA-N 2 0 242.363 1.246 20 0 BDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[C@@H](C)C1 ZINC001177698538 978420554 /nfs/dbraw/zinc/42/05/54/978420554.db2.gz XBKLIICKYKTEEV-RDBSUJKOSA-N 2 0 239.407 1.401 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H](NCc3cnsc3)[C@@H]2C1 ZINC001179814920 978759175 /nfs/dbraw/zinc/75/91/75/978759175.db2.gz BRJOJEDZOOBIHZ-TUAOUCFPSA-N 2 0 237.372 1.573 20 0 BDADRP CN(CCC1CC[NH2+]CC1)C[C@@H]1CCCC[NH2+]1 ZINC001235713815 979129451 /nfs/dbraw/zinc/12/94/51/979129451.db2.gz GKOUOCSYCSYZTP-AWEZNQCLSA-N 2 0 239.407 1.450 20 0 BDADRP CCCCCC[N@H+](C)CC(=O)NCC1([NH3+])CC1 ZINC001342062338 979641868 /nfs/dbraw/zinc/64/18/68/979641868.db2.gz BQGNXVKGMMQYQS-UHFFFAOYSA-N 2 0 241.379 1.106 20 0 BDADRP [NH3+]CC1(Cc2ccc(F)cc2)CC[NH2+]CC1 ZINC001239324083 980533193 /nfs/dbraw/zinc/53/31/93/980533193.db2.gz QDIJIIXNRGXNTL-UHFFFAOYSA-N 2 0 222.307 1.697 20 0 BDADRP COCOCCC[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205545366 980947356 /nfs/dbraw/zinc/94/73/56/980947356.db2.gz FQEYHEMYTOAHQS-LBPRGKRZSA-N 2 0 248.342 1.150 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@@H]1CCCC12CCOCC2 ZINC001348851971 981458700 /nfs/dbraw/zinc/45/87/00/981458700.db2.gz IYEQAWXESZGFET-CHWSQXEVSA-N 2 0 240.391 1.923 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+](CC1CCOCC1)CC2 ZINC001202598622 984105748 /nfs/dbraw/zinc/10/57/48/984105748.db2.gz POKGZBSMUKEDEF-UHFFFAOYSA-N 2 0 238.375 1.441 20 0 BDADRP CCOCC[C@@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001172434418 974721143 /nfs/dbraw/zinc/72/11/43/974721143.db2.gz WGTRSKQNEWMXMP-KGLIPLIRSA-N 2 0 240.391 1.829 20 0 BDADRP CC(C)COCC[C@H](C)N1CCC[C@H]([NH3+])C1 ZINC001172459164 974822891 /nfs/dbraw/zinc/82/28/91/974822891.db2.gz FRCUDRDADHTHKB-STQMWFEESA-N 2 0 228.380 1.861 20 0 BDADRP CC(C)COCC[C@@H](C)[NH2+]CCCC[NH3+] ZINC001172462199 974826464 /nfs/dbraw/zinc/82/64/64/974826464.db2.gz NEHHNTJVHGQRJK-GFCCVEGCSA-N 2 0 216.369 1.766 20 0 BDADRP CC(C)COCC[C@H](C)NC(=[NH2+])SCC[NH3+] ZINC001172461341 974826636 /nfs/dbraw/zinc/82/66/36/974826636.db2.gz HNEBJBUPBFZDAZ-JTQLQIEISA-N 2 0 247.408 1.654 20 0 BDADRP CCC[C@H](C)[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246559929 972784267 /nfs/dbraw/zinc/78/42/67/972784267.db2.gz OGXYXCCIYOEZOH-NWDGAFQWSA-N 2 0 214.353 1.351 20 0 BDADRP [NH3+]C[C@@H]1C[N@@H+]([C@H]2CCSC2)CCC1(F)F ZINC001246559950 972786976 /nfs/dbraw/zinc/78/69/76/972786976.db2.gz OIKCSATXQAZZKT-BDAKNGLRSA-N 2 0 236.331 1.408 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC[NH2+]CC2)CCC[C@]1(C)O ZINC001246590328 972996976 /nfs/dbraw/zinc/99/69/76/972996976.db2.gz JCRLEPLEGDCBOX-YPMHNXCESA-N 2 0 226.364 1.221 20 0 BDADRP CN(C1C[NH2+]C1)[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246834281 973128930 /nfs/dbraw/zinc/12/89/30/973128930.db2.gz TVYAABDTTVOYKR-LBPRGKRZSA-N 2 0 237.391 1.345 20 0 BDADRP C[C@@H]1CN([C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)C[C@@H]1[NH3+] ZINC001246883541 973329290 /nfs/dbraw/zinc/32/92/90/973329290.db2.gz VXJWDGXXFKZOFJ-MROQNXINSA-N 2 0 239.407 1.432 20 0 BDADRP C[C@@H]1CC[C@H](N(C)[C@H]2CCCC[C@H]2[NH3+])C[NH2+]1 ZINC001246910132 973440371 /nfs/dbraw/zinc/44/03/71/973440371.db2.gz KSCCCQLTXKBMED-XQHKEYJVSA-N 2 0 225.380 1.329 20 0 BDADRP CC[N@H+](CCC[NH2+]C1CC1)[C@H]1CCCOC1 ZINC000402737824 970832594 /nfs/dbraw/zinc/83/25/94/970832594.db2.gz GVEGRUOVGKFZSJ-ZDUSSCGKSA-N 2 0 226.364 1.629 20 0 BDADRP C[C@H]1C[N@@H+](C2CC[NH+](C(C)(C)C)CC2)C[C@H]1O ZINC001256569347 970867227 /nfs/dbraw/zinc/86/72/27/970867227.db2.gz BKVQFWSOQJGAHU-WCQYABFASA-N 2 0 240.391 1.562 20 0 BDADRP CC(C)(C)[NH+]1CCC(NC(C)(C)C[NH3+])CC1 ZINC001256558345 970863325 /nfs/dbraw/zinc/86/33/25/970863325.db2.gz NSFOCPBLYXCXLV-UHFFFAOYSA-N 2 0 227.396 1.576 20 0 BDADRP C[C@@H](CO)CC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC001256564351 970863842 /nfs/dbraw/zinc/86/38/42/970863842.db2.gz XWDIBKHIANQPCX-GFCCVEGCSA-N 2 0 242.407 1.857 20 0 BDADRP CC[C@H](C)[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256614361 970878936 /nfs/dbraw/zinc/87/89/36/970878936.db2.gz MASQDIRDIOPWBJ-APYLGABCSA-N 2 0 240.391 1.608 20 0 BDADRP COC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001256621328 970888001 /nfs/dbraw/zinc/88/80/01/970888001.db2.gz ODPCYUPUPNBOLM-FUNVUKJBSA-N 2 0 238.375 1.722 20 0 BDADRP C[C@H](Cc1ccncc1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC001256721955 970946341 /nfs/dbraw/zinc/94/63/41/970946341.db2.gz ZQJIXJNSUIDKGB-HIFRSBDPSA-N 2 0 247.386 1.944 20 0 BDADRP COCC[N@H+](C)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256855346 970997645 /nfs/dbraw/zinc/99/76/45/970997645.db2.gz JPJHZTWBKAQBRS-UHFFFAOYSA-N 2 0 249.358 1.629 20 0 BDADRP C[C@H](C[NH3+])C[N@H+](C)[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001257082543 971091739 /nfs/dbraw/zinc/09/17/39/971091739.db2.gz AAWGQDFKYQIHKP-WISYIIOYSA-N 2 0 214.353 1.469 20 0 BDADRP CC(C)N1CCC([NH2+]C2CC(=O)C2)CC1 ZINC001257206382 971123146 /nfs/dbraw/zinc/12/31/46/971123146.db2.gz XAOLCPJBROVWNT-UHFFFAOYSA-N 2 0 210.321 1.180 20 0 BDADRP CC(C)[NH+]1CCC(n2ccc(C[NH3+])c2)CC1 ZINC001257208159 971127678 /nfs/dbraw/zinc/12/76/78/971127678.db2.gz FRTGVSGSHOGNCI-UHFFFAOYSA-N 2 0 221.348 1.992 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC001257208201 971128721 /nfs/dbraw/zinc/12/87/21/971128721.db2.gz UWFKUHPGCVHVFB-ITGUQSILSA-N 2 0 224.348 1.094 20 0 BDADRP CC(C)[NH+]1CCC([N@@H+]2CC[C@](C)(CO)C2)CC1 ZINC001257214298 971129750 /nfs/dbraw/zinc/12/97/50/971129750.db2.gz AAWHBXWWVKZINM-AWEZNQCLSA-N 2 0 240.391 1.564 20 0 BDADRP CCC[C@@H](CC)[NH2+]CCN1CCC[N@H+](C)CC1 ZINC001257246508 971140524 /nfs/dbraw/zinc/14/05/24/971140524.db2.gz ASASMCVFOWWTPL-CQSZACIVSA-N 2 0 241.423 1.792 20 0 BDADRP CCC[C@@H](CC)[NH2+]CCN(C)CC[NH3+] ZINC001257250612 971147043 /nfs/dbraw/zinc/14/70/43/971147043.db2.gz SBTZYQSXQKHBGG-LLVKDONJSA-N 2 0 201.358 1.045 20 0 BDADRP Cc1cc(C[NH+]2CCC(C[NH3+])CC2)sn1 ZINC000404502466 971171292 /nfs/dbraw/zinc/17/12/92/971171292.db2.gz ZASRHDYBNFOGMG-UHFFFAOYSA-N 2 0 225.361 1.622 20 0 BDADRP CCC(CC)[NH2+]CC1CC[NH+](C2COC2)CC1 ZINC001257293823 971182445 /nfs/dbraw/zinc/18/24/45/971182445.db2.gz JBBCBOPNKYIMRL-UHFFFAOYSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1cc[nH+]c(N[C@@H](C)[C@@H]2C[NH2+]CCO2)c1C ZINC001170563589 971191768 /nfs/dbraw/zinc/19/17/68/971191768.db2.gz MNSUYWVZXJEUTN-RYUDHWBXSA-N 2 0 235.331 1.487 20 0 BDADRP Cc1ccc(C)c(N[C@@H](C)[C@H]2C[NH2+]CCO2)[nH+]1 ZINC001170563095 971192178 /nfs/dbraw/zinc/19/21/78/971192178.db2.gz KMABNKGZVPKKRB-NWDGAFQWSA-N 2 0 235.331 1.487 20 0 BDADRP CCC[C@H](C)NC(=[NH2+])NCCCC[NH3+] ZINC001257306916 971196792 /nfs/dbraw/zinc/19/67/92/971196792.db2.gz AODKDCCNUROGFW-VIFPVBQESA-N 2 0 200.330 1.028 20 0 BDADRP CC(C)[N@@H+]1CCC[C@@H](OC[C@@H]2CCC[NH+]2C)C1 ZINC001224816977 973990180 /nfs/dbraw/zinc/99/01/80/973990180.db2.gz DKXCOEHBODQMLG-UONOGXRCSA-N 2 0 240.391 1.970 20 0 BDADRP CCC[C@@H](C)N(CCC[NH3+])CCC[NH+](C)C ZINC001257309237 971203745 /nfs/dbraw/zinc/20/37/45/971203745.db2.gz PONPMOCFBQOFQC-CYBMUJFWSA-N 2 0 229.412 1.778 20 0 BDADRP C[C@H](Nc1cccn2c[nH+]cc12)[C@@H]1C[NH2+]CCO1 ZINC001170569581 971204308 /nfs/dbraw/zinc/20/43/08/971204308.db2.gz JVMIPCWHCWNLOC-GWCFXTLKSA-N 2 0 246.314 1.123 20 0 BDADRP CCC[C@@H](C)[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001257317428 971215912 /nfs/dbraw/zinc/21/59/12/971215912.db2.gz YRQMXGJSFWWESQ-CYBMUJFWSA-N 2 0 227.396 1.354 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405230088 971216818 /nfs/dbraw/zinc/21/68/18/971216818.db2.gz QJDOUXXUIYHLMJ-QJPTWQEYSA-N 2 0 226.364 1.397 20 0 BDADRP Cn1ccc2c1cc[nH+]c2N1CC[N@@H+]2CC[C@H]2C1 ZINC001158424960 971230237 /nfs/dbraw/zinc/23/02/37/971230237.db2.gz ZSUKACKWISBOMD-NSHDSACASA-N 2 0 242.326 1.468 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CCOCC(F)F)C12CCC2 ZINC000405293390 971233197 /nfs/dbraw/zinc/23/31/97/971233197.db2.gz ZJUVNTZLMABWKM-BDAKNGLRSA-N 2 0 234.290 1.128 20 0 BDADRP CC(C)(O)C(C)(C)C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405317749 971233368 /nfs/dbraw/zinc/23/33/68/971233368.db2.gz PZEXFRRXGUCRDP-MNOVXSKESA-N 2 0 240.391 1.643 20 0 BDADRP CCCC(CCC)[NH2+]C[C@H](C[NH3+])C(=O)OC ZINC001257329611 971233742 /nfs/dbraw/zinc/23/37/42/971233742.db2.gz BVSAVIIBSGNCAH-JTQLQIEISA-N 2 0 230.352 1.293 20 0 BDADRP CCCC(CCC)[NH+]1CCN(CC[NH3+])CC1 ZINC001257329925 971235046 /nfs/dbraw/zinc/23/50/46/971235046.db2.gz WFQRKGTUMKOIMT-UHFFFAOYSA-N 2 0 227.396 1.532 20 0 BDADRP COCC[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405325815 971238729 /nfs/dbraw/zinc/23/87/29/971238729.db2.gz WZQQWYSRWZBQAU-GARJFASQSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CO1 ZINC000405322733 971237032 /nfs/dbraw/zinc/23/70/32/971237032.db2.gz VOWBEIGAYYOULV-RCWTZXSCSA-N 2 0 210.321 1.023 20 0 BDADRP CSC1(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000405330329 971238146 /nfs/dbraw/zinc/23/81/46/971238146.db2.gz ZEXQVOALNTWPGK-VHSXEESVSA-N 2 0 226.389 1.742 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CC=CCC2)C12CCC2 ZINC000405323564 971238199 /nfs/dbraw/zinc/23/81/99/971238199.db2.gz SKSWAWFYRGCIIH-UTUOFQBUSA-N 2 0 206.333 1.955 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CC=CCC2)C12CCC2 ZINC000405323560 971238502 /nfs/dbraw/zinc/23/85/02/971238502.db2.gz SKSWAWFYRGCIIH-QJPTWQEYSA-N 2 0 206.333 1.955 20 0 BDADRP CC(C)(C)C[C@H](O)C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405348638 971240200 /nfs/dbraw/zinc/24/02/00/971240200.db2.gz MNIQCELYOZZYKI-SDDRHHMPSA-N 2 0 240.391 1.643 20 0 BDADRP COCCC(C)(C)C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405355298 971242845 /nfs/dbraw/zinc/24/28/45/971242845.db2.gz QNQQIOZBPJDINJ-NEPJUHHUSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405347697 971243901 /nfs/dbraw/zinc/24/39/01/971243901.db2.gz LWSFBCOZLRWOCJ-RHYQMDGZSA-N 2 0 224.348 1.271 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]CC2CCOCC2)C12CCC2 ZINC000405346243 971244572 /nfs/dbraw/zinc/24/45/72/971244572.db2.gz LCLSJALXFUAKHE-NWDGAFQWSA-N 2 0 224.348 1.273 20 0 BDADRP C[C@H](CC(C)(C)O)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405393502 971250543 /nfs/dbraw/zinc/25/05/43/971250543.db2.gz HNPWSCLJDLJURB-MXWKQRLJSA-N 2 0 226.364 1.395 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405377420 971250902 /nfs/dbraw/zinc/25/09/02/971250902.db2.gz BTVBHCQKDSDYBP-NEPJUHHUSA-N 3 0 225.380 1.188 20 0 BDADRP COCCCCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405441153 971254602 /nfs/dbraw/zinc/25/46/02/971254602.db2.gz VQNBRYHQHMYLSE-VXGBXAGGSA-N 2 0 226.364 1.663 20 0 BDADRP COCCC1([NH3+])CC[NH+](C2CCCC2)CC1 ZINC001257346552 971259334 /nfs/dbraw/zinc/25/93/34/971259334.db2.gz NZHRCJKEEMCODD-UHFFFAOYSA-N 2 0 226.364 1.759 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)[C@@H]1CCOC1 ZINC000405452849 971260216 /nfs/dbraw/zinc/26/02/16/971260216.db2.gz YCLUMFBYOZMOAX-IRCOFANPSA-N 2 0 224.348 1.271 20 0 BDADRP C[C@@H]1[C@@H]([NH2+]CCC[NH+]2CCCCC2)CO[C@H]1C ZINC000405551409 971271031 /nfs/dbraw/zinc/27/10/31/971271031.db2.gz SFKZOHJLFBNUFO-IHRRRGAJSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1OC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@@H]1C ZINC000405562673 971272970 /nfs/dbraw/zinc/27/29/70/971272970.db2.gz ARABXHXDVHKTKV-ITGHMWBKSA-N 2 0 238.375 1.626 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CO[C@@H](C)[C@H]1C)C[NH+]1CCCC1 ZINC000405565413 971273927 /nfs/dbraw/zinc/27/39/27/971273927.db2.gz ZZJYHBNKSIYQSL-YIYPIFLZSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@@H]1OC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@@H]1C ZINC000405594838 971278817 /nfs/dbraw/zinc/27/88/17/971278817.db2.gz CCTZAGKAWUBIQK-BVMMLCNSSA-N 2 0 238.375 1.625 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CO[C@H](C)[C@@H]1C ZINC000405575474 971278256 /nfs/dbraw/zinc/27/82/56/971278256.db2.gz HSBBEYZGYDJXGP-WRWGMCAJSA-N 2 0 214.353 1.340 20 0 BDADRP C[C@@H]1OC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@@H]1C ZINC000405594841 971280569 /nfs/dbraw/zinc/28/05/69/971280569.db2.gz CCTZAGKAWUBIQK-CCJXIVEXSA-N 2 0 238.375 1.625 20 0 BDADRP C[C@@H]1[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)CO[C@H]1C ZINC000405654981 971286843 /nfs/dbraw/zinc/28/68/43/971286843.db2.gz NYTZQGZYAYRWLC-GVXVVHGQSA-N 2 0 224.348 1.261 20 0 BDADRP C[C@@H]1OC[C@H]([NH2+]CC2=CC[N@H+](C)CC2)[C@@H]1C ZINC000405654985 971286963 /nfs/dbraw/zinc/28/69/63/971286963.db2.gz NYTZQGZYAYRWLC-MDZLAQPJSA-N 2 0 224.348 1.261 20 0 BDADRP [NH3+]CCCC[C@H]([NH3+])Cc1nnc(C2CCC2)o1 ZINC001217717264 971353278 /nfs/dbraw/zinc/35/32/78/971353278.db2.gz HKEJTLHRSOSCTR-JTQLQIEISA-N 2 0 238.335 1.336 20 0 BDADRP CCCc1nnc([C@@](C)([NH3+])CCCC[NH3+])o1 ZINC001217756026 971386629 /nfs/dbraw/zinc/38/66/29/971386629.db2.gz MCNZZNGHMNMQII-NSHDSACASA-N 2 0 226.324 1.325 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H]1OCCCC1CC[NH2+]CC1 ZINC001217768952 971393614 /nfs/dbraw/zinc/39/36/14/971393614.db2.gz HFWFWIKGSDZTRH-YPMHNXCESA-N 2 0 226.364 1.391 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H]1OCCCCCCC[NH3+] ZINC001217769536 971394820 /nfs/dbraw/zinc/39/48/20/971394820.db2.gz URFSRIJIIBXEDC-NEPJUHHUSA-N 2 0 214.353 1.520 20 0 BDADRP C(CO[C@H]1CCCC[NH2+]C1)C[C@H]1CCC[NH2+]C1 ZINC001217774071 971396216 /nfs/dbraw/zinc/39/62/16/971396216.db2.gz SYGPWRMENCQRKV-KGLIPLIRSA-N 2 0 240.391 1.925 20 0 BDADRP CC1(CO[C@H]2C[NH2+]CCC[C@H]2F)CC[NH2+]CC1 ZINC001217774153 971396661 /nfs/dbraw/zinc/39/66/61/971396661.db2.gz NENIONLNMFYYOO-NEPJUHHUSA-N 2 0 244.354 1.483 20 0 BDADRP F[C@H]1C[NH2+]C[C@@H]1OCCC[C@H]1CCC[NH2+]C1 ZINC001217783544 971404351 /nfs/dbraw/zinc/40/43/51/971404351.db2.gz XNUPVOVZOIHYOA-WOPDTQHZSA-N 2 0 230.327 1.093 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1OCCCC1CC[NH2+]CC1 ZINC001217787488 971407624 /nfs/dbraw/zinc/40/76/24/971407624.db2.gz HFWFWIKGSDZTRH-DGCLKSJQSA-N 2 0 226.364 1.391 20 0 BDADRP CC[N@@H+]1CC[C@H](OC[C@@H]2CCC[NH2+]C2)C1 ZINC001217832837 971427589 /nfs/dbraw/zinc/42/75/89/971427589.db2.gz KYJOANHXYGLJIL-NEPJUHHUSA-N 2 0 212.337 1.097 20 0 BDADRP C(O[C@H]1C[C@H]2[NH2+]CC[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC001217848260 971440011 /nfs/dbraw/zinc/44/00/11/971440011.db2.gz HHNHUOMQIPHICT-YVECIDJPSA-N 2 0 224.348 1.143 20 0 BDADRP CC[C@H](C)C[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133040247 971441214 /nfs/dbraw/zinc/44/12/14/971441214.db2.gz HWNFELVYSIWULK-LBPRGKRZSA-N 2 0 243.395 1.080 20 0 BDADRP CCCCC[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133051871 971444909 /nfs/dbraw/zinc/44/49/09/971444909.db2.gz SMDILOSTOIPWQN-UHFFFAOYSA-N 2 0 243.395 1.224 20 0 BDADRP [NH3+]Cc1ccc(CO[C@H]2CCC[NH2+]C2)cc1 ZINC001217859908 971453277 /nfs/dbraw/zinc/45/32/77/971453277.db2.gz IMDORAHUOXWZSW-ZDUSSCGKSA-N 2 0 220.316 1.414 20 0 BDADRP [NH3+]CCCCCCO[C@H]1CCC[NH2+]C1 ZINC001217861704 971454131 /nfs/dbraw/zinc/45/41/31/971454131.db2.gz ZYBPSBCVCQHMDH-NSHDSACASA-N 2 0 200.326 1.274 20 0 BDADRP CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](OCCC[NH3+])C2 ZINC001217879280 971477227 /nfs/dbraw/zinc/47/72/27/971477227.db2.gz BXZTYRVHBBKACZ-ITGUQSILSA-N 2 0 226.364 1.756 20 0 BDADRP CC(C)OC1CCC([NH2+]CCOCC[NH3+])CC1 ZINC001257872283 971512200 /nfs/dbraw/zinc/51/22/00/971512200.db2.gz VVNSPIAFIBZOER-UHFFFAOYSA-N 2 0 244.379 1.288 20 0 BDADRP C(CC1CC[NH2+]CC1)O[C@H]1C[NH2+]CCC12CC2 ZINC001217914248 971514358 /nfs/dbraw/zinc/51/43/58/971514358.db2.gz RTFOQCIAAOCZSG-ZDUSSCGKSA-N 2 0 238.375 1.535 20 0 BDADRP [NH3+]CCCCCCO[C@H]1[C@@H]2CC[C@H]1[NH2+]C2 ZINC001217924228 971530108 /nfs/dbraw/zinc/53/01/08/971530108.db2.gz FFPMDQIZSZUBGL-UTUOFQBUSA-N 2 0 212.337 1.273 20 0 BDADRP [NH3+]Cc1ccccc1O[C@@H]1CCC[NH2+]C[C@H]1F ZINC001217947574 971541042 /nfs/dbraw/zinc/54/10/42/971541042.db2.gz JEFKQAYVMNSWTN-DGCLKSJQSA-N 2 0 238.306 1.614 20 0 BDADRP Cc1c(O[C@@H]2CCC[NH2+]C2)ccc2c1CC[NH2+]C2 ZINC001217962182 971548157 /nfs/dbraw/zinc/54/81/57/971548157.db2.gz PFZGAJSOTNOTEE-CYBMUJFWSA-N 2 0 246.354 1.772 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H]1Oc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC001217966660 971550757 /nfs/dbraw/zinc/55/07/57/971550757.db2.gz CJXQQVUFIBBEKH-PCDDKUFXSA-N 2 0 232.327 1.488 20 0 BDADRP [NH3+][C@@H]1C[C@H]1c1ccc(O[C@H]2C[NH2+]C[C@@H]2F)cc1 ZINC001218021843 971572801 /nfs/dbraw/zinc/57/28/01/971572801.db2.gz SYMYQDRPBFORBZ-RVMXOQNASA-N 2 0 236.290 1.190 20 0 BDADRP C[C@@H]([NH3+])c1ccc(O[C@@H]2C[NH2+][C@H](C)C2)cc1 ZINC001218050737 971591283 /nfs/dbraw/zinc/59/12/83/971591283.db2.gz RZIMUUUWTIZMJR-BREBYQMCSA-N 2 0 220.316 1.836 20 0 BDADRP [NH3+]Cc1cccc(O[C@H]2CC[C@]23CC[NH2+]C3)c1 ZINC001218120032 971605263 /nfs/dbraw/zinc/60/52/63/971605263.db2.gz SALBOIZSHVAOTO-UONOGXRCSA-N 2 0 232.327 1.666 20 0 BDADRP Cc1c(O[C@@H](C)C2C[NH2+]C2)ccc2c1CC[NH2+]C2 ZINC001218193699 971625269 /nfs/dbraw/zinc/62/52/69/971625269.db2.gz JIIFVANEZVPEIK-NSHDSACASA-N 2 0 246.354 1.627 20 0 BDADRP N[C@@H]1CC[N@H+](C[C@@H]2CCCOC2)CC[C@@H]1F ZINC001206154252 974324201 /nfs/dbraw/zinc/32/42/01/974324201.db2.gz HYYNFLXSIPWMKW-SDDRHHMPSA-N 2 0 230.327 1.174 20 0 BDADRP c1cc2c(c(O[C@@H]3C[C@H]4CC[NH2+][C@@H]4C3)c1)C[NH2+]C2 ZINC001218251111 971650968 /nfs/dbraw/zinc/65/09/68/971650968.db2.gz QOCNBWHRPUQESV-MPKXVKKWSA-N 2 0 244.338 1.809 20 0 BDADRP [NH3+]Cc1cccc(O[C@@H]2CCC23C[NH2+]C3)c1 ZINC001218244398 971651005 /nfs/dbraw/zinc/65/10/05/971651005.db2.gz PFCGSSLCAIPWFT-GFCCVEGCSA-N 2 0 218.300 1.276 20 0 BDADRP C[C@H]([NH3+])c1ccc(O[C@H]2CCC23C[NH2+]C3)cc1 ZINC001218243731 971651451 /nfs/dbraw/zinc/65/14/51/971651451.db2.gz HRMCAKQHSFMOBI-GWCFXTLKSA-N 2 0 232.327 1.837 20 0 BDADRP [NH3+]Cc1ccc(O[C@H]2CCC[NH2+]C2)cc1 ZINC001218285207 971678855 /nfs/dbraw/zinc/67/88/55/971678855.db2.gz FZPMHGCPWWCYRX-LBPRGKRZSA-N 2 0 206.289 1.276 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]1Oc1ccc(CC[NH3+])cc1 ZINC001218313302 971703663 /nfs/dbraw/zinc/70/36/63/971703663.db2.gz JFSNGENXXDSDMN-CQSZACIVSA-N 2 0 248.370 1.955 20 0 BDADRP c1cc2c(c(O[C@@H]3C[C@@H]4C[NH2+]C[C@@H]34)c1)CC[NH2+]C2 ZINC001218328850 971710690 /nfs/dbraw/zinc/71/06/90/971710690.db2.gz YKMVHPUCDHLKHQ-UXIGCNINSA-N 2 0 244.338 1.319 20 0 BDADRP c1cc2c(c(O[C@@H]3C[NH2+]CCC34CC4)c1)C[NH2+]C2 ZINC001218404933 971779432 /nfs/dbraw/zinc/77/94/32/971779432.db2.gz PQZZOHKXLUEJPA-CQSZACIVSA-N 2 0 244.338 1.811 20 0 BDADRP C[C@H]1CC[C@H](Oc2ccc3c(c2)C[NH2+]C3)C[NH2+]1 ZINC001218409948 971781735 /nfs/dbraw/zinc/78/17/35/971781735.db2.gz ZLNVAZFNWFPKNI-HZMBPMFUSA-N 2 0 232.327 1.809 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@H]1Oc1cccc2c1CC[NH2+]C2 ZINC001218418663 971795400 /nfs/dbraw/zinc/79/54/00/971795400.db2.gz HGMCEPUILITWPP-BXUZGUMPSA-N 2 0 246.354 1.709 20 0 BDADRP [NH3+]Cc1cccc(O[C@H]2C[NH2+]CCC2(F)F)c1 ZINC001218451727 971822007 /nfs/dbraw/zinc/82/20/07/971822007.db2.gz GUVPYERPZFUIRL-NSHDSACASA-N 2 0 242.269 1.521 20 0 BDADRP C[NH+](C)C1CC[NH+]([C@H]2CCCOCC2)CC1 ZINC001170803796 971852475 /nfs/dbraw/zinc/85/24/75/971852475.db2.gz KWIFHPVPDJJSGJ-ZDUSSCGKSA-N 2 0 226.364 1.582 20 0 BDADRP CC(C)c1ccccc1NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001218813300 971944614 /nfs/dbraw/zinc/94/46/14/971944614.db2.gz ZDGVDFOVOIMQJK-LBPRGKRZSA-N 2 0 249.358 1.815 20 0 BDADRP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+]([C@H]1CCCOCC1)C2 ZINC001170835737 971956485 /nfs/dbraw/zinc/95/64/85/971956485.db2.gz VQCFYSPSBONJNH-HZSPNIEDSA-N 2 0 238.375 1.439 20 0 BDADRP CC[C@]([NH3+])(CO)Nc1cc(C)cn2ccnc12 ZINC001170866505 972001123 /nfs/dbraw/zinc/00/11/23/972001123.db2.gz XNSPPXSVRVVQGC-GFCCVEGCSA-N 2 0 234.303 1.112 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)[C@@]23CC[C@@H]2C[NH2+]C3)cc1 ZINC001219345401 972003060 /nfs/dbraw/zinc/00/30/60/972003060.db2.gz MMDMAGNQCILLGL-BXUZGUMPSA-N 2 0 245.326 1.083 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)[C@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1 ZINC001219345237 972003224 /nfs/dbraw/zinc/00/32/24/972003224.db2.gz DSXAWPBWLIUVKM-RWMBFGLXSA-N 2 0 245.326 1.224 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)[C@@H]2CCCC[NH2+]C2)cc1 ZINC001219345628 972004570 /nfs/dbraw/zinc/00/45/70/972004570.db2.gz XPKTVZOSJCPRMU-GFCCVEGCSA-N 2 0 247.342 1.474 20 0 BDADRP C[C@@H]([NH3+])CCNc1cc[nH+]c2c1ccn2C ZINC001170890801 972043345 /nfs/dbraw/zinc/04/33/45/972043345.db2.gz PTLIJLNWXCXULL-SECBINFHSA-N 2 0 218.304 1.723 20 0 BDADRP Cc1ccc2c(ccnc2N[C@H]([NH3+])CCC[NH3+])c1 ZINC001170897401 972056490 /nfs/dbraw/zinc/05/64/90/972056490.db2.gz GUWVALPUGJMMGW-ZDUSSCGKSA-N 2 0 244.342 1.979 20 0 BDADRP Cn1ccc2ccnc(N[C@H]([NH3+])CCC[NH3+])c21 ZINC001170899185 972057546 /nfs/dbraw/zinc/05/75/46/972057546.db2.gz YDXGVLNZPHQAJB-JTQLQIEISA-N 2 0 233.319 1.009 20 0 BDADRP COc1cnc(N[C@@H]([NH3+])CCC[NH3+])c2[nH]ccc21 ZINC001170898856 972060427 /nfs/dbraw/zinc/06/04/27/972060427.db2.gz QJYDDDAUXWZWHG-SNVBAGLBSA-N 2 0 249.318 1.007 20 0 BDADRP CC(C)c1cccc(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001170898964 972061285 /nfs/dbraw/zinc/06/12/85/972061285.db2.gz FQIJPWIVHRXWMJ-LLVKDONJSA-N 2 0 222.336 1.641 20 0 BDADRP COc1cc2cc[nH]c2cc1N[C@H]([NH3+])CCC[NH3+] ZINC001170899718 972062284 /nfs/dbraw/zinc/06/22/84/972062284.db2.gz DUHQPNBNNJBPQR-ZDUSSCGKSA-N 2 0 248.330 1.612 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc(C(F)(F)F)cn1 ZINC001170900308 972063312 /nfs/dbraw/zinc/06/33/12/972063312.db2.gz ROKWWZZXTNOQPN-QMMMGPOBSA-N 2 0 248.252 1.536 20 0 BDADRP COc1ncc2cc[nH]c2c1N[C@H]([NH3+])CCC[NH3+] ZINC001170899880 972064737 /nfs/dbraw/zinc/06/47/37/972064737.db2.gz GJLCHBUEGPZUNS-VIFPVBQESA-N 2 0 249.318 1.007 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ncccc1OC(F)F ZINC001170899972 972065262 /nfs/dbraw/zinc/06/52/62/972065262.db2.gz ZDRZUEYQGKYVHK-MRVPVSSYSA-N 2 0 246.261 1.119 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc2c(c1)C=CC2 ZINC001170900443 972066367 /nfs/dbraw/zinc/06/63/67/972066367.db2.gz LIKRSZBEWJFVIQ-CYBMUJFWSA-N 2 0 217.316 1.692 20 0 BDADRP Cc1cc(Cl)nc(N[C@@H]([NH3+])CCC[NH3+])c1 ZINC001170894947 972068413 /nfs/dbraw/zinc/06/84/13/972068413.db2.gz PSTHWSJRFQJUJH-SECBINFHSA-N 2 0 228.727 1.479 20 0 BDADRP CCc1cc(OC)ccc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170900219 972066536 /nfs/dbraw/zinc/06/65/36/972066536.db2.gz QMMRKQXVSZECGR-CYBMUJFWSA-N 2 0 237.347 1.693 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc2cnoc2c1 ZINC001170900110 972066669 /nfs/dbraw/zinc/06/66/69/972066669.db2.gz PBKDLWRVWDFLBO-LLVKDONJSA-N 2 0 220.276 1.263 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1cccc2c1CC[C@H]2[NH3+] ZINC001170904323 972077874 /nfs/dbraw/zinc/07/78/74/972077874.db2.gz OCDFZKKZCQDHAG-DGCLKSJQSA-N 3 0 234.347 1.068 20 0 BDADRP Cc1cn(C)c2ccc(N[C@H]([NH3+])CCC[NH3+])cc12 ZINC001170905059 972079859 /nfs/dbraw/zinc/07/98/59/972079859.db2.gz QVVLRWGBFXURLJ-AWEZNQCLSA-N 2 0 246.358 1.922 20 0 BDADRP C[C@@H](O)[C@@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000390428589 972086208 /nfs/dbraw/zinc/08/62/08/972086208.db2.gz NUQHTLUMMCQXDW-GHMZBOCLSA-N 2 0 226.364 1.220 20 0 BDADRP Cc1ccc2nc(N[C@@H]([NH3+])CCC[NH3+])ncc2c1 ZINC001159784947 972112150 /nfs/dbraw/zinc/11/21/50/972112150.db2.gz MWQXPEOROQIEMB-GFCCVEGCSA-N 2 0 245.330 1.374 20 0 BDADRP Cc1[nH+]c(N[C@@H]([NH3+])CCC[NH3+])cc2[nH]ccc21 ZINC001159787538 972114501 /nfs/dbraw/zinc/11/45/01/972114501.db2.gz XIERHPQKQXFESD-LLVKDONJSA-N 3 0 233.319 1.307 20 0 BDADRP C[C@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2O)CC[NH2+]1 ZINC001246073238 972126841 /nfs/dbraw/zinc/12/68/41/972126841.db2.gz RSDLDCLGUIFKNF-USZNOCQGSA-N 2 0 212.337 1.020 20 0 BDADRP CC1(C)C[C@@H](N[C@@H](C[NH3+])c2ccccc2)CC[NH2+]1 ZINC001246074848 972128650 /nfs/dbraw/zinc/12/86/50/972128650.db2.gz GWEFASIASPFKLU-KBPBESRZSA-N 2 0 247.386 1.807 20 0 BDADRP CC1(C)C[C@H](N[C@H](C[NH3+])c2ccccc2)CC[NH2+]1 ZINC001246074875 972129129 /nfs/dbraw/zinc/12/91/29/972129129.db2.gz GWEFASIASPFKLU-ZIAGYGMSSA-N 2 0 247.386 1.807 20 0 BDADRP CC[NH+](CC)CC[C@H](C)NCC1([NH3+])CCCC1 ZINC001246075665 972130395 /nfs/dbraw/zinc/13/03/95/972130395.db2.gz MBNPWVKLSPZDIF-ZDUSSCGKSA-N 2 0 241.423 1.968 20 0 BDADRP CC[N@@H+]1CC[C@H](NC[C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC001246079435 972134526 /nfs/dbraw/zinc/13/45/26/972134526.db2.gz FBKPHBFJRQBLID-AGIUHOORSA-N 2 0 225.380 1.058 20 0 BDADRP C[NH2+]CCCCNC(=O)[C@@H]([NH3+])C1CCCCC1 ZINC001220077811 972152090 /nfs/dbraw/zinc/15/20/90/972152090.db2.gz XKTDQDQYJHADMD-LBPRGKRZSA-N 2 0 241.379 1.010 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](C[NH2+][C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001246101495 972161641 /nfs/dbraw/zinc/16/16/41/972161641.db2.gz QGHVFTWAINXZBQ-JZRPKSSGSA-N 2 0 208.349 1.620 20 0 BDADRP C[C@H]1[NH2+]CCC[C@H]1CNC1C[C@@H]2C=C[C@H](C1)[NH2+]2 ZINC001246106168 972169582 /nfs/dbraw/zinc/16/95/82/972169582.db2.gz DLHWLGKFPIGSEG-ZBBUEOHVSA-N 2 0 235.375 1.023 20 0 BDADRP [NH3+]C1CC([NH2+][C@@H]2CCc3cccc(F)c3C2)C1 ZINC001170961209 972170034 /nfs/dbraw/zinc/17/00/34/972170034.db2.gz OFXGOQWLHMZZNM-MOENNCHZSA-N 2 0 234.318 1.762 20 0 BDADRP C[C@H]1CC[C@@H](C[NH2+]C2CCSCC2)[NH2+]C1 ZINC001246110163 972174679 /nfs/dbraw/zinc/17/46/79/972174679.db2.gz HLLOJDCNLCWBAW-JQWIXIFHSA-N 2 0 228.405 1.860 20 0 BDADRP C[C@H]1C[C@H](NC[C@H]2CCC[NH2+][C@H]2C)CC[NH2+]1 ZINC001246114474 972179774 /nfs/dbraw/zinc/17/97/74/972179774.db2.gz WQOOWWMCIZZXSF-WUHRBBMRSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1CN[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246115641 972182810 /nfs/dbraw/zinc/18/28/10/972182810.db2.gz ZIQGQQONVORYIR-YNEHKIRRSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+][C@H]1CCOC(C)(C)C1 ZINC001246115565 972183846 /nfs/dbraw/zinc/18/38/46/972183846.db2.gz ZABGJUZSMHCTIR-XQQFMLRXSA-N 2 0 240.391 1.922 20 0 BDADRP CC(C)(C)[C@@H]1C[C@H](N[C@@H]2C[NH2+]C[C@H]2F)CC[NH2+]1 ZINC001246128067 972184757 /nfs/dbraw/zinc/18/47/57/972184757.db2.gz NDVOHPMQRQUJOF-KKOKHZNYSA-N 2 0 243.370 1.053 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001246119647 972186734 /nfs/dbraw/zinc/18/67/34/972186734.db2.gz WSYPEUIDKOUVIX-XGFWRYKXSA-N 2 0 237.391 1.199 20 0 BDADRP CC(C)([NH3+])CNc1nccc(C2CC[NH2+]CC2)n1 ZINC001160032730 972207936 /nfs/dbraw/zinc/20/79/36/972207936.db2.gz ZAHQORNDGKKXJY-UHFFFAOYSA-N 2 0 249.362 1.093 20 0 BDADRP C[C@@H]1CC[C@@H](Nc2cccc(C[NH3+])c2)C[NH2+]1 ZINC001246179399 972207944 /nfs/dbraw/zinc/20/79/44/972207944.db2.gz PWKJOWFEQDKHCO-ZWNOBZJWSA-N 2 0 219.332 1.698 20 0 BDADRP C([NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2)[C@H]1CCC[NH2+]1 ZINC001246187603 972213664 /nfs/dbraw/zinc/21/36/64/972213664.db2.gz RDZWDXJNSUMNPH-CHWSQXEVSA-N 3 0 237.391 1.250 20 0 BDADRP C[C@H]1CC[C@@H]([NH2+]C2CN(C3CC[NH2+]CC3)C2)C1 ZINC001246217382 972218522 /nfs/dbraw/zinc/21/85/22/972218522.db2.gz GABWTEQHKJHXEY-NWDGAFQWSA-N 2 0 237.391 1.201 20 0 BDADRP CS[C@H](C)CC[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001208152550 957032686 /nfs/dbraw/zinc/03/26/86/957032686.db2.gz IABRTPGGVGLZAC-UTUOFQBUSA-N 2 0 228.405 1.621 20 0 BDADRP C[C@@H](C[NH3+])C[N@H+](C)[C@@H]1COC(C)(C)C1 ZINC000396634017 957090947 /nfs/dbraw/zinc/09/09/47/957090947.db2.gz HCDDZNXYCUXHCB-UWVGGRQHSA-N 2 0 200.326 1.081 20 0 BDADRP [NH3+][C@@H]1CCc2nn(C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2C1 ZINC001246240371 972244342 /nfs/dbraw/zinc/24/43/42/972244342.db2.gz WGNCDCVWYLCUID-FKJOKYEKSA-N 2 0 246.358 1.155 20 0 BDADRP CCC[NH2+]CCN[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246269925 972250921 /nfs/dbraw/zinc/25/09/21/972250921.db2.gz NTUYMROREMJCDA-ITGUQSILSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@@H]1C[C@@H](NCC2([NH3+])CCCCC2)CC[NH2+]1 ZINC001246277635 972252809 /nfs/dbraw/zinc/25/28/09/972252809.db2.gz ABUGCWITFCLINC-NEPJUHHUSA-N 2 0 225.380 1.378 20 0 BDADRP CC[NH2+]CCN[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246274036 972253611 /nfs/dbraw/zinc/25/36/11/972253611.db2.gz UQMDRDPWPJNKDL-VXGBXAGGSA-N 2 0 227.396 1.352 20 0 BDADRP C[C@H](CNC(=O)[C@@H](C)C[NH3+])CC(C)(C)CC[NH3+] ZINC001220766413 972257757 /nfs/dbraw/zinc/25/77/57/972257757.db2.gz RRLOBUXPEVBKMX-QWRGUYRKSA-N 2 0 243.395 1.099 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC001246303335 972265039 /nfs/dbraw/zinc/26/50/39/972265039.db2.gz HIXVMEKHQRWFRX-QWHCGFSZSA-N 3 0 229.412 1.824 20 0 BDADRP C[C@@H]([NH3+])c1cccc(C(=O)N[C@@H]2CCC[NH2+]C2)c1 ZINC001220896273 972278063 /nfs/dbraw/zinc/27/80/63/972278063.db2.gz HWNQKMZOLUYFCM-ZWNOBZJWSA-N 2 0 247.342 1.188 20 0 BDADRP CSC1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000300819699 957658483 /nfs/dbraw/zinc/65/84/83/957658483.db2.gz INUOXDXSYNGYCN-MNOVXSKESA-N 2 0 228.405 1.669 20 0 BDADRP C[C@H]1C[C@@H](N[C@@H]2C[NH2+]CCC2(C)C)CC[NH2+]1 ZINC001246324541 972284811 /nfs/dbraw/zinc/28/48/11/972284811.db2.gz FKGQJTJZFNWDSW-SDDRHHMPSA-N 2 0 225.380 1.105 20 0 BDADRP CCOCC[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC001172406670 974664044 /nfs/dbraw/zinc/66/40/44/974664044.db2.gz OUKYKAFRRJQPIM-GFCCVEGCSA-N 2 0 228.380 1.733 20 0 BDADRP C[NH+]1CCC(C[NH2+]C[C@H](O)C2CCC2)CC1 ZINC000316573730 972288133 /nfs/dbraw/zinc/28/81/33/972288133.db2.gz MFTIKXRKPLOVSK-ZDUSSCGKSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H]1C[C@H](N[C@@]23CC[C@@]([NH3+])(C2)CCC3)CC[NH2+]1 ZINC001246332346 972296627 /nfs/dbraw/zinc/29/66/27/972296627.db2.gz IHPRGWJLXNDQKY-SYQHCUMBSA-N 2 0 237.391 1.521 20 0 BDADRP CC(C)[PH+](CCNC(=O)[C@@H](C)[NH3+])C(C)C ZINC001221254530 972304763 /nfs/dbraw/zinc/30/47/63/972304763.db2.gz PDIFCKVGEFKMMJ-SNVBAGLBSA-N 2 0 232.308 1.749 20 0 BDADRP Fc1ccc2c(c1)CC[C@H]([NH2+][C@H]1CC13C[NH2+]C3)C2 ZINC001246447915 972320837 /nfs/dbraw/zinc/32/08/37/972320837.db2.gz XQKOHNXREGSMJW-KBPBESRZSA-N 2 0 246.329 1.635 20 0 BDADRP CC[C@@H]1C[C@H](NC[C@@]2(C)CCC[NH2+]2)CC[NH2+]1 ZINC001246456674 972327631 /nfs/dbraw/zinc/32/76/31/972327631.db2.gz NXJFLWOXFBYHRZ-JHJVBQTASA-N 2 0 225.380 1.249 20 0 BDADRP C[C@@H]1C[C@H](N[C@@]2(C)CCC[N@H+](C)C2)CC[NH2+]1 ZINC001246461951 972336021 /nfs/dbraw/zinc/33/60/21/972336021.db2.gz QNHICDIDRGYEMA-UPJWGTAASA-N 2 0 225.380 1.201 20 0 BDADRP CSCC[C@@H](C)[NH2+]C[C@@H]1CC[NH2+]C[C@@H]1F ZINC001246478777 972350035 /nfs/dbraw/zinc/35/00/35/972350035.db2.gz YPSCOBZEEUAIOD-VWYCJHECSA-N 2 0 234.384 1.665 20 0 BDADRP COC1CCC([NH+]2CCC(C)([NH3+])CC2)CC1 ZINC000707685864 958674498 /nfs/dbraw/zinc/67/44/98/958674498.db2.gz IJHLPUJMVKOGAQ-UHFFFAOYSA-N 2 0 226.364 1.757 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000693560024 958801888 /nfs/dbraw/zinc/80/18/88/958801888.db2.gz RHGUOTLALSSFAG-OKILXGFUSA-N 2 0 245.370 1.546 20 0 BDADRP CC1(C)C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCS1 ZINC000693563790 958814360 /nfs/dbraw/zinc/81/43/60/958814360.db2.gz WZZFTIVPEHWEBY-AOOOYVTPSA-N 2 0 214.378 1.551 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)C1 ZINC000693566972 958859826 /nfs/dbraw/zinc/85/98/26/958859826.db2.gz FFEZJLLNEHGDRK-RVMXOQNASA-N 2 0 208.349 1.988 20 0 BDADRP CC(=O)N1CCC([NH2+]CCCCCC[NH3+])CC1 ZINC001327069884 972388425 /nfs/dbraw/zinc/38/84/25/972388425.db2.gz AYDADWMWZXCHDJ-UHFFFAOYSA-N 2 0 241.379 1.106 20 0 BDADRP C[C@H]([NH3+])CN1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222160602 972401733 /nfs/dbraw/zinc/40/17/33/972401733.db2.gz GQQSIPDWBLPVHC-KBPBESRZSA-N 2 0 239.407 1.579 20 0 BDADRP C(CN1CC[C@@]12CCC[NH2+]C2)[C@H]1CCCC[NH2+]1 ZINC001222190683 972400230 /nfs/dbraw/zinc/40/02/30/972400230.db2.gz DYRIXKMHXPYXND-ZIAGYGMSSA-N 2 0 237.391 1.347 20 0 BDADRP [NH3+]C12CC(CC[N@@H+]3CCC[C@]34CCC[NH2+]C4)(C1)C2 ZINC001222230868 972411615 /nfs/dbraw/zinc/41/16/15/972411615.db2.gz FRGWTSOMMNEZJL-NRXISQOPSA-N 2 0 249.402 1.476 20 0 BDADRP [NH3+]C12CC(C[N@@H+]3CCC[C@@]34CCC[NH2+]C4)(C1)C2 ZINC001222231134 972413229 /nfs/dbraw/zinc/41/32/29/972413229.db2.gz JPVHNDUHMKXIKO-JXQTWKCFSA-N 3 0 235.375 1.086 20 0 BDADRP CSCC[C@H](C)[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001246529482 972418829 /nfs/dbraw/zinc/41/88/29/972418829.db2.gz KMQBXEHAFRRZTC-UWVGGRQHSA-N 2 0 202.367 1.551 20 0 BDADRP C[C@H]1CC[C@@H](CO)C[N@@H+]1CC1CC[NH2+]CC1 ZINC000708438675 959433963 /nfs/dbraw/zinc/43/39/63/959433963.db2.gz JTCFSEJADAWCRQ-WCQYABFASA-N 2 0 226.364 1.079 20 0 BDADRP CCOCC[C@@H](C)[N@H+](CCC[NH3+])C(C)C ZINC001172409558 974671173 /nfs/dbraw/zinc/67/11/73/974671173.db2.gz WVCWEHZZJGXQAH-GFCCVEGCSA-N 2 0 216.369 1.861 20 0 BDADRP c1ccc([C@H]2C[C@@H](N3CC[NH2+]CC3)CC[NH2+]2)cc1 ZINC001246530895 972434907 /nfs/dbraw/zinc/43/49/07/972434907.db2.gz QIXPQCWYZZUUII-LSDHHAIUSA-N 2 0 245.370 1.385 20 0 BDADRP CC[C@@H]([NH3+])CN1CCC2(CCCC[NH2+]2)CC1 ZINC001222293610 972435086 /nfs/dbraw/zinc/43/50/86/972435086.db2.gz YUHKTQAVECNTFZ-GFCCVEGCSA-N 2 0 225.380 1.332 20 0 BDADRP Cc1n[nH]cc1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC000724785459 959512700 /nfs/dbraw/zinc/51/27/00/959512700.db2.gz CTYWEOVFEYISOY-LLVKDONJSA-N 2 0 222.336 1.279 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222307872 972437551 /nfs/dbraw/zinc/43/75/51/972437551.db2.gz CUHAPJOQVRFBNL-ZDUSSCGKSA-N 2 0 225.380 1.204 20 0 BDADRP C[C@@H]1OCC[C@]1(C)[NH2+]CC1CC[NH+](C)CC1 ZINC000300368414 959545822 /nfs/dbraw/zinc/54/58/22/959545822.db2.gz OVJFCYWIHUXZJN-AAEUAGOBSA-N 2 0 226.364 1.485 20 0 BDADRP c1nc2c(s1)C[C@H](N1CCC[NH2+]CC1)CC2 ZINC001246531022 972439045 /nfs/dbraw/zinc/43/90/45/972439045.db2.gz ZTVJTRNLHGJYDX-SNVBAGLBSA-N 2 0 237.372 1.296 20 0 BDADRP C([C@H]1CCC[NH2+]C1)N1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222347126 972440562 /nfs/dbraw/zinc/44/05/62/972440562.db2.gz WUTUORBRSBZPIF-UONOGXRCSA-N 2 0 237.391 1.204 20 0 BDADRP C(O[C@@H]1CCC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC001217775900 959585724 /nfs/dbraw/zinc/58/57/24/959585724.db2.gz CGYYQBYHIBCWDZ-NWDGAFQWSA-N 2 0 212.337 1.145 20 0 BDADRP [NH3+]CCCCCCO[C@H]1CCCC[NH2+]C1 ZINC001217773905 959587217 /nfs/dbraw/zinc/58/72/17/959587217.db2.gz SEFNKEXLRRPBQW-LBPRGKRZSA-N 2 0 214.353 1.664 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000690455925 959692905 /nfs/dbraw/zinc/69/29/05/959692905.db2.gz YILJHWZIRSRSHU-RYUDHWBXSA-N 2 0 212.337 1.084 20 0 BDADRP C[C@H]1C[NH2+]CCC[C@H]1Oc1cccc(C[NH3+])c1 ZINC001217991196 959820939 /nfs/dbraw/zinc/82/09/39/959820939.db2.gz JYOUIOYYLRIXDT-SMDDNHRTSA-N 2 0 234.343 1.912 20 0 BDADRP C[C@@H]1C[NH2+]CCC[C@@H]1Oc1cccc(C[NH3+])c1 ZINC001217991191 959820960 /nfs/dbraw/zinc/82/09/60/959820960.db2.gz JYOUIOYYLRIXDT-RISCZKNCSA-N 2 0 234.343 1.912 20 0 BDADRP [NH3+]Cc1cccc(O[C@@H]2CC[NH2+]CC[C@@H]2F)c1 ZINC001218016826 959834673 /nfs/dbraw/zinc/83/46/73/959834673.db2.gz GNSJVGDYZUZUHU-QWHCGFSZSA-N 2 0 238.306 1.614 20 0 BDADRP N[C@@H]1C[N@@H+](C2CCC3(CC[NH2+]C3)CC2)CC12CC2 ZINC001246533332 972463422 /nfs/dbraw/zinc/46/34/22/972463422.db2.gz MKPRZRNLEBZQKG-ROKHWSDSSA-N 2 0 249.402 1.332 20 0 BDADRP COC(C)(C)CC[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000393758871 959896610 /nfs/dbraw/zinc/89/66/10/959896610.db2.gz YXPYGIRZGWPNHK-LBPRGKRZSA-N 2 0 228.380 1.862 20 0 BDADRP C[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)C[C@]1(C)CO ZINC000694672260 959957173 /nfs/dbraw/zinc/95/71/73/959957173.db2.gz JJOADEWAMZUFSJ-TZMCWYRMSA-N 2 0 240.391 1.279 20 0 BDADRP c1cc2c(c(O[C@H]3C=CC[NH2+]C3)c1)CC[NH2+]C2 ZINC001218330729 959984517 /nfs/dbraw/zinc/98/45/17/959984517.db2.gz HXONCCHRDHZHJC-LBPRGKRZSA-N 2 0 230.311 1.239 20 0 BDADRP COC1CCC([N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)CC1 ZINC000708876493 960005360 /nfs/dbraw/zinc/00/53/60/960005360.db2.gz XCTUKBBTYRTNAV-ZFDZMSFRSA-N 2 0 226.364 1.471 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(C)C2)[C@H](C)C1 ZINC000167317358 960049619 /nfs/dbraw/zinc/04/96/19/960049619.db2.gz CTSPHQPWKALSII-UPJWGTAASA-N 2 0 225.380 1.010 20 0 BDADRP CC(C)[NH+]1CCC(N2C[C@H](C)[C@H](C[NH3+])C2)CC1 ZINC000708889548 960077763 /nfs/dbraw/zinc/07/77/63/960077763.db2.gz NMJKYPHDBSXFDG-QWHCGFSZSA-N 2 0 239.407 1.386 20 0 BDADRP CSCCC[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000708887737 960078295 /nfs/dbraw/zinc/07/82/95/960078295.db2.gz YHBXMDXRIGABRV-VHSXEESVSA-N 2 0 202.367 1.266 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001207436829 960091284 /nfs/dbraw/zinc/09/12/84/960091284.db2.gz RRJMSXAQPGNZFT-KGLIPLIRSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@H]1c2cccn2CC[N@H+]1CC1CC[NH2+]CC1 ZINC001207439053 960096315 /nfs/dbraw/zinc/09/63/15/960096315.db2.gz JJBMCHZZEGMHRF-LBPRGKRZSA-N 2 0 233.359 1.864 20 0 BDADRP O=C1CCC[C@@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@H]12 ZINC001207442897 960133175 /nfs/dbraw/zinc/13/31/75/960133175.db2.gz IIOZDHYAHTZYJL-OLZOCXBDSA-N 2 0 236.359 1.287 20 0 BDADRP C[NH2+]CCNc1c[nH+]c(N(C)C)cc1C ZINC001167723950 960232761 /nfs/dbraw/zinc/23/27/61/960232761.db2.gz HPYMGNQOEIJRIH-UHFFFAOYSA-N 2 0 208.309 1.087 20 0 BDADRP CCC[C@@H]1C[C@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925603399 960436795 /nfs/dbraw/zinc/43/67/95/960436795.db2.gz AKOLXLMXVNFCFN-GDJPEOAQSA-N 2 0 220.360 1.761 20 0 BDADRP [NH3+]CCSCC[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000397718042 960507232 /nfs/dbraw/zinc/50/72/32/960507232.db2.gz UFRJRMUWGBFQFB-ILWJIGKKSA-N 2 0 200.351 1.066 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCC2CCOCC2)CC[NH2+]1 ZINC000709375039 960535745 /nfs/dbraw/zinc/53/57/45/960535745.db2.gz LTAMWKBWWZZCOI-YPMHNXCESA-N 2 0 226.364 1.533 20 0 BDADRP CCC[C@@H](C)C[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222491426 972514022 /nfs/dbraw/zinc/51/40/22/972514022.db2.gz AQZAZPHGFGYHLQ-RDBSUJKOSA-N 2 0 239.407 1.448 20 0 BDADRP CC(C)[C@@H](CCO)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709408073 960576884 /nfs/dbraw/zinc/57/68/84/960576884.db2.gz SBMUGDBRDDHOEM-ZGVCCVRISA-N 2 0 226.364 1.266 20 0 BDADRP O[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000709488049 960622499 /nfs/dbraw/zinc/62/24/99/960622499.db2.gz NLVDBPIJHFEICU-OCIKQUFWSA-N 2 0 224.348 1.163 20 0 BDADRP COC1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000709500810 960629051 /nfs/dbraw/zinc/62/90/51/960629051.db2.gz DTXYIQQELQZLPQ-HPCMXSDISA-N 2 0 238.375 1.817 20 0 BDADRP C[N@H+]1C[C@@H]2C[NH+](C3CCCCC3)C[C@@H]2C1 ZINC000585382542 960670264 /nfs/dbraw/zinc/67/02/64/960670264.db2.gz PZMUHKMUWYMHNW-TXEJJXNPSA-N 2 0 208.349 1.813 20 0 BDADRP C[C@H]([NH3+])[C@@H](NCC1([NH3+])CCC1)c1ccccc1 ZINC000925701054 960691138 /nfs/dbraw/zinc/69/11/38/960691138.db2.gz ZELXTGQBHSPGLF-WCQYABFASA-N 2 0 233.359 1.546 20 0 BDADRP Cc1nccnc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC001140937553 960724286 /nfs/dbraw/zinc/72/42/86/960724286.db2.gz MSGPMSNXRZMXNY-UHFFFAOYSA-N 2 0 248.374 1.559 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](OC1CC[NH+](C)CC1)C2 ZINC001222499089 972529087 /nfs/dbraw/zinc/52/90/87/972529087.db2.gz XIQGQYGLWIFPSQ-IMRBUKKESA-N 2 0 238.375 1.722 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2SCCS2)CC[N@@H+]1C ZINC000692903993 961207988 /nfs/dbraw/zinc/20/79/88/961207988.db2.gz HKTWVIVLDSJLIG-ZJUUUORDSA-N 2 0 246.445 1.865 20 0 BDADRP COC(C)(C)C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000709373682 961268964 /nfs/dbraw/zinc/26/89/64/961268964.db2.gz IFSNJOBTVSUFKV-NXEZZACHSA-N 2 0 200.326 1.142 20 0 BDADRP C[N@@H+]1CCC[C@@H](NCc2cncc(F)c2)CC1 ZINC000700770635 961866549 /nfs/dbraw/zinc/86/65/49/961866549.db2.gz FEJGOOLQEHSXNY-CYBMUJFWSA-N 2 0 237.322 1.795 20 0 BDADRP C[NH+]1CCC(C[NH+]2CC([C@H]3CCOC3)C2)CC1 ZINC000894149083 961969404 /nfs/dbraw/zinc/96/94/04/961969404.db2.gz OGNOIQNENRYCOG-ZDUSSCGKSA-N 2 0 238.375 1.297 20 0 BDADRP C[NH+](C)C1CC[NH+]([C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167923451 961984690 /nfs/dbraw/zinc/98/46/90/961984690.db2.gz DQFREBNBODJNJZ-PJXYFTJBSA-N 2 0 208.349 1.811 20 0 BDADRP C[C@@H](C[NH+](C)C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001151905028 962352787 /nfs/dbraw/zinc/35/27/87/962352787.db2.gz YYPJKTVXEZRJET-JTQLQIEISA-N 2 0 246.314 1.014 20 0 BDADRP C[C@@H]1C[C@@H](NCC[C@H]2CCC[N@@H+]2C)CC[NH2+]1 ZINC000710408529 962380598 /nfs/dbraw/zinc/38/05/98/962380598.db2.gz FEKHPZJSEBVIAY-FRRDWIJNSA-N 2 0 225.380 1.201 20 0 BDADRP CC[C@@H](C)C[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC001152427230 962425932 /nfs/dbraw/zinc/42/59/32/962425932.db2.gz USVKXLRHUSAREV-GFCCVEGCSA-N 2 0 243.395 1.079 20 0 BDADRP CN(C)c1cccc(N[C@@H]2CCC[C@@H]([NH3+])C2)[nH+]1 ZINC001154976951 962925643 /nfs/dbraw/zinc/92/56/43/962925643.db2.gz LWNBDXVLZPVYNJ-GHMZBOCLSA-N 2 0 234.347 1.829 20 0 BDADRP Nc1cc[nH+]c(NC[C@@]2(F)CCCC[NH2+]C2)c1 ZINC001155116036 962979607 /nfs/dbraw/zinc/97/96/07/962979607.db2.gz WKERHOHVFCJYGZ-GFCCVEGCSA-N 2 0 238.310 1.558 20 0 BDADRP [NH3+][C@@H]1C[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167967076 963033261 /nfs/dbraw/zinc/03/32/61/963033261.db2.gz ATLRGLMQOOTUFT-ZLMOABSSSA-N 2 0 235.375 1.081 20 0 BDADRP Cc1cc[nH+]c(NCC[C@H]2CCOC23C[NH2+]C3)c1 ZINC001155471667 963085963 /nfs/dbraw/zinc/08/59/63/963085963.db2.gz RMVZQNWCQFDIEA-LBPRGKRZSA-N 2 0 247.342 1.571 20 0 BDADRP COc1ccnc(N[C@H]2C[NH+]3CCC2CC3)c1 ZINC001155662855 963148800 /nfs/dbraw/zinc/14/88/00/963148800.db2.gz QJPPZJKWZJKNKV-LBPRGKRZSA-N 2 0 233.315 1.596 20 0 BDADRP C[C@H](C[NH+](C)C)Nc1cc(-n2ccnc2)cc[nH+]1 ZINC001155920570 963204889 /nfs/dbraw/zinc/20/48/89/963204889.db2.gz FLFPPZACJWRBNE-LLVKDONJSA-N 2 0 245.330 1.629 20 0 BDADRP COc1cc[nH+]c(N(CCC[NH3+])C(C)C)c1 ZINC001156118696 963261843 /nfs/dbraw/zinc/26/18/43/963261843.db2.gz SUDPBSKAHGBBIW-UHFFFAOYSA-N 2 0 223.320 1.654 20 0 BDADRP COC[C@H]1CCCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000696610980 963288450 /nfs/dbraw/zinc/28/84/50/963288450.db2.gz SELUMLIUUFWMJU-ZDUSSCGKSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@]1([NH3+])CC[N@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001204763238 963373534 /nfs/dbraw/zinc/37/35/34/963373534.db2.gz IKCHKUQWEBHGJO-RNJOBUHISA-N 2 0 206.333 1.622 20 0 BDADRP CC(C)[N@H+](C)[C@@H]1CCN(c2cc(N)cc[nH+]2)C1 ZINC001157001192 963509503 /nfs/dbraw/zinc/50/95/03/963509503.db2.gz KHTPQXGDJDIJGT-GFCCVEGCSA-N 2 0 234.347 1.583 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CC23CC[NH+](CC2)CC3)CCO1 ZINC001168084243 963643509 /nfs/dbraw/zinc/64/35/09/963643509.db2.gz QNKGISPFSIAYTR-STQMWFEESA-N 2 0 238.375 1.629 20 0 BDADRP C[N@H+](CC1CCOCC1)C[C@H]1CCCC[NH2+]C1 ZINC000697079094 963708543 /nfs/dbraw/zinc/70/85/43/963708543.db2.gz IMMKBVQHLGHUMW-AWEZNQCLSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@H]1C[C@H]([N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)CCO1 ZINC001168111320 963750499 /nfs/dbraw/zinc/75/04/99/963750499.db2.gz APHGLGONNHDNIP-RFQIPJPRSA-N 2 0 238.375 1.437 20 0 BDADRP C[C@H]1CN(c2cc3[nH]ccc3c[nH+]2)C[C@H](C)[NH2+]1 ZINC001158175111 963818437 /nfs/dbraw/zinc/81/84/37/963818437.db2.gz CMAZXFKMFLEFRP-UWVGGRQHSA-N 2 0 230.315 1.750 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)CCO1 ZINC001168138564 963840375 /nfs/dbraw/zinc/84/03/75/963840375.db2.gz AGCLPAVFCHFLSG-YIYPIFLZSA-N 2 0 238.375 1.437 20 0 BDADRP C[C@H]1C[C@@H]([N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CCO1 ZINC001168139487 963841584 /nfs/dbraw/zinc/84/15/84/963841584.db2.gz TVWHBCUFUOPPIJ-RVMXOQNASA-N 2 0 224.348 1.047 20 0 BDADRP Cc1cc2[nH]ccc2c(N2CC[N@@H+]3CC[C@@H]3C2)[nH+]1 ZINC001158435269 963874623 /nfs/dbraw/zinc/87/46/23/963874623.db2.gz XKAATKLJAHYKFO-LLVKDONJSA-N 2 0 242.326 1.766 20 0 BDADRP COc1ccc2c(c1)C[C@@H]([NH2+]CCCC[NH3+])C2 ZINC001168236135 964017166 /nfs/dbraw/zinc/01/71/66/964017166.db2.gz SVNMKSCVXIBABE-ZDUSSCGKSA-N 2 0 234.343 1.491 20 0 BDADRP CCc1cc(N[C@H]2C[NH2+]CC[C@H]2F)cc[nH+]1 ZINC001168233706 964020090 /nfs/dbraw/zinc/02/00/90/964020090.db2.gz HMUDDYQXUBJBPE-NEPJUHHUSA-N 2 0 223.295 1.178 20 0 BDADRP Cc1ccc(NCC2C[NH+](C)C2)[nH+]c1C ZINC001159218888 964020971 /nfs/dbraw/zinc/02/09/71/964020971.db2.gz SJYUPYDAYMCNNC-UHFFFAOYSA-N 2 0 205.305 1.672 20 0 BDADRP [NH3+]Cc1cnn(-c2cccc3c2CC[C@H]3[NH3+])c1 ZINC001168259580 964078334 /nfs/dbraw/zinc/07/83/34/964078334.db2.gz RHQUGLPYACTABX-GFCCVEGCSA-N 2 0 228.299 1.277 20 0 BDADRP Cc1cc(C)[nH+]c(N[C@H](C)[C@H]2C[NH2+]CCO2)c1 ZINC001159489120 964112464 /nfs/dbraw/zinc/11/24/64/964112464.db2.gz JRUSPLZSYIJIPM-VXGBXAGGSA-N 2 0 235.331 1.487 20 0 BDADRP C[C@@H](Nc1cc2[nH]ccc2c[nH+]1)[C@@H]1C[NH2+]CCO1 ZINC001159488286 964113654 /nfs/dbraw/zinc/11/36/54/964113654.db2.gz BONGVLZUEYKGPL-SKDRFNHKSA-N 2 0 246.314 1.352 20 0 BDADRP c1cc2c(c(NC3=CCC[NH2+]CC3)c1)C[NH2+]C2 ZINC001159767137 964187144 /nfs/dbraw/zinc/18/71/44/964187144.db2.gz LDJJDTYXOVKSQK-UHFFFAOYSA-N 2 0 229.327 1.969 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1cnc(-c2ccco2)cn1 ZINC001159782984 964194468 /nfs/dbraw/zinc/19/44/68/964194468.db2.gz ADZHZVPKEZEWET-LLVKDONJSA-N 2 0 247.302 1.172 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1nccc2occc21 ZINC001159779679 964195346 /nfs/dbraw/zinc/19/53/46/964195346.db2.gz HUYAVAWSYXZNMZ-JTQLQIEISA-N 2 0 220.276 1.263 20 0 BDADRP COc1cnc(N[C@@H]([NH3+])CCC[NH3+])c(Cl)c1 ZINC001159786490 964199968 /nfs/dbraw/zinc/19/99/68/964199968.db2.gz BKJLDIDODOGBAI-SECBINFHSA-N 2 0 244.726 1.179 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1nncc2ccccc21 ZINC001159786094 964202760 /nfs/dbraw/zinc/20/27/60/964202760.db2.gz WDMYLYQMLIKNPN-NSHDSACASA-N 2 0 231.303 1.065 20 0 BDADRP CCSc1ccnc(N[C@H]([NH3+])CCC[NH3+])c1 ZINC001159789467 964203206 /nfs/dbraw/zinc/20/32/06/964203206.db2.gz UIWRDAOAOSGXTM-JTQLQIEISA-N 2 0 240.376 1.629 20 0 BDADRP c1cc2c(cc1NC1=C[NH2+]CCC1)C[NH2+]CCO2 ZINC001159797359 964207111 /nfs/dbraw/zinc/20/71/11/964207111.db2.gz WVUCTLQXRIJQDT-UHFFFAOYSA-N 2 0 245.326 1.805 20 0 BDADRP Cn1ccc2c1cc[nH+]c2NCC(C)(C)[NH3+] ZINC001160025300 964237229 /nfs/dbraw/zinc/23/72/29/964237229.db2.gz RATAAAUZMJJAOP-UHFFFAOYSA-N 2 0 218.304 1.723 20 0 BDADRP C1=C(Nc2ccc(O[C@@H]3CC[NH2+]C3)cc2)C[NH2+]C1 ZINC001160125853 964255269 /nfs/dbraw/zinc/25/52/69/964255269.db2.gz JMNVZBGCRJOHLF-CQSZACIVSA-N 2 0 245.326 1.326 20 0 BDADRP C[NH+](C)C1CCC([NH2+]C[C@H]2CCO2)CC1 ZINC001168297538 964392190 /nfs/dbraw/zinc/39/21/90/964392190.db2.gz BPRTWSPMPHFIKG-HTAVTVPLSA-N 2 0 212.337 1.238 20 0 BDADRP C[NH+](C)C1CCC([NH2+]CCSCC[NH3+])CC1 ZINC001168304379 964403775 /nfs/dbraw/zinc/40/37/75/964403775.db2.gz ZGKQYTYNKZTLJC-UHFFFAOYSA-N 3 0 245.436 1.141 20 0 BDADRP C[C@@H]1CC[N@@H+](C2CCC([NH+](C)C)CC2)C[C@@H]1O ZINC001168314135 964420552 /nfs/dbraw/zinc/42/05/52/964420552.db2.gz KGRBHRUREXYSIO-RYSNWHEDSA-N 2 0 240.391 1.562 20 0 BDADRP CN(C)CC[N@H+](C)C1CCC([NH+](C)C)CC1 ZINC001168314295 964421140 /nfs/dbraw/zinc/42/11/40/964421140.db2.gz CFAZPJNIJJALNS-UHFFFAOYSA-N 2 0 227.396 1.353 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2CC[C@@H](F)C2)CC1 ZINC001168314451 964421411 /nfs/dbraw/zinc/42/14/11/964421411.db2.gz LGOFFKNRBHGAAY-VOMCLLRMSA-N 2 0 214.328 1.903 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2CCC3(COC3)C2)CC1 ZINC001168314061 964421430 /nfs/dbraw/zinc/42/14/30/964421430.db2.gz JEKKLVFOBGAPCX-UHFFFAOYSA-N 2 0 238.375 1.582 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2CCCC23COC3)CC1 ZINC001168324747 964446070 /nfs/dbraw/zinc/44/60/70/964446070.db2.gz WAQJKWIJTQBJPG-UHFFFAOYSA-N 2 0 238.375 1.724 20 0 BDADRP CC(C)[N@H+](CCCO)C1CCC([NH+](C)C)CC1 ZINC001168323979 964450744 /nfs/dbraw/zinc/45/07/44/964450744.db2.gz DWDLWULPCNCYFG-UHFFFAOYSA-N 2 0 242.407 1.952 20 0 BDADRP C[N@H+](Cc1ccc(NC/C=C/C[NH3+])nc1)C1CC1 ZINC001160982503 964466278 /nfs/dbraw/zinc/46/62/78/964466278.db2.gz LGSYCKNAUJMMRS-NSCUHMNNSA-N 2 0 246.358 1.603 20 0 BDADRP CN1CC2(C1)C[NH+](C1CCC([NH+](C)C)CC1)C2 ZINC001168330313 964466329 /nfs/dbraw/zinc/46/63/29/964466329.db2.gz OZBOLASTDRPFAL-UHFFFAOYSA-N 2 0 237.391 1.107 20 0 BDADRP [NH3+]Cc1cn(C2CC[NH+](CC3CC3)CC2)cn1 ZINC001168351102 964489838 /nfs/dbraw/zinc/48/98/38/964489838.db2.gz CZQQAYYLPVIJSI-UHFFFAOYSA-N 2 0 234.347 1.389 20 0 BDADRP CC(C)N(CC[NH3+])C1CC[NH+](CC2CC2)CC1 ZINC001168353791 964493351 /nfs/dbraw/zinc/49/33/51/964493351.db2.gz UFBCNAPPAKDYPM-UHFFFAOYSA-N 2 0 239.407 1.530 20 0 BDADRP CC(C)(C[NH3+])NC1CC[NH+](CC2CC2)CC1 ZINC001168354035 964494751 /nfs/dbraw/zinc/49/47/51/964494751.db2.gz YCKKJXKOIUWJDA-UHFFFAOYSA-N 2 0 225.380 1.188 20 0 BDADRP CC[C@H](C)[N@H+](C)CCNC1=[NH+]CCCCN1 ZINC000697708355 964502432 /nfs/dbraw/zinc/50/24/32/964502432.db2.gz ZVRDOBGJKKVILA-NSHDSACASA-N 2 0 226.368 1.046 20 0 BDADRP CCC[C@H](CO)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168358288 964531514 /nfs/dbraw/zinc/53/15/14/964531514.db2.gz PPPNZSNVGNQQNL-CQSZACIVSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@@H](CC[NH2+]CC[C@H]1CCOC1)[NH+](C)C ZINC000697874493 964598481 /nfs/dbraw/zinc/59/84/81/964598481.db2.gz ZHGVEVUPQNSRKQ-RYUDHWBXSA-N 2 0 214.353 1.343 20 0 BDADRP CC(C)n1cncc1CNc1cc(C[NH3+])ncn1 ZINC001161562994 964641033 /nfs/dbraw/zinc/64/10/33/964641033.db2.gz LNRJMBKYNYPQQC-UHFFFAOYSA-N 2 0 246.318 1.325 20 0 BDADRP CC[NH+]1CCC(NCC[C@@H](C)[NH+](C)C)CC1 ZINC000697907115 964674200 /nfs/dbraw/zinc/67/42/00/964674200.db2.gz AMYQSRKFEHTYSR-GFCCVEGCSA-N 2 0 227.396 1.401 20 0 BDADRP C[C@H](CC[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000697910832 964676713 /nfs/dbraw/zinc/67/67/13/964676713.db2.gz VTNFMTNMFMPIKP-FVCCEPFGSA-N 2 0 228.380 1.872 20 0 BDADRP Cc1c[nH+]c(N[C@H]2C[C@@](C)([NH3+])C2)cc1C ZINC001162328977 964934391 /nfs/dbraw/zinc/93/43/91/964934391.db2.gz UWOWQTUQEWCRPG-KLPPZKSPSA-N 2 0 205.305 1.990 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](Nc2[nH+]ccc3c2CCN3)C1 ZINC001162392055 964953092 /nfs/dbraw/zinc/95/30/92/964953092.db2.gz PGVXLIILRIXTEJ-ZJUUUORDSA-N 2 0 232.331 1.731 20 0 BDADRP C[N@@H+]1CCC[C@H]1CO[C@@H]1CCC[NH+](C)C1 ZINC001224818024 964989305 /nfs/dbraw/zinc/98/93/05/964989305.db2.gz GMMBAUGOFIQUJQ-NWDGAFQWSA-N 2 0 212.337 1.191 20 0 BDADRP Fc1cnccc1NC[C@@]1(F)CCCC[NH2+]C1 ZINC001162579700 965053371 /nfs/dbraw/zinc/05/33/71/965053371.db2.gz HMJKYPACWSEVMM-GFCCVEGCSA-N 2 0 241.285 1.536 20 0 BDADRP C(C1CC1)[NH+]1CCC([N@@H+]2C[C@@H]3C[C@@H]3C2)CC1 ZINC001168378674 965083700 /nfs/dbraw/zinc/08/37/00/965083700.db2.gz PQTPANSFYDSCQI-BETUJISGSA-N 2 0 220.360 1.813 20 0 BDADRP C[C@H]1[NH2+]CC[C@H]1Nc1cccc2c1C[NH2+]CC2 ZINC001162677517 965110163 /nfs/dbraw/zinc/11/01/63/965110163.db2.gz MEQVFEUKDCYCLI-ZWNOBZJWSA-N 2 0 231.343 1.495 20 0 BDADRP CC(C)(F)CC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000698240167 965123870 /nfs/dbraw/zinc/12/38/70/965123870.db2.gz YXNQKMAUTSGNFN-NXEZZACHSA-N 2 0 214.328 1.984 20 0 BDADRP Nc1cccc(NC[C@@H]2CC[NH2+]C[C@@H]2F)[nH+]1 ZINC001162802906 965184162 /nfs/dbraw/zinc/18/41/62/965184162.db2.gz ZAMCEDTUHYYKCY-IUCAKERBSA-N 2 0 224.283 1.023 20 0 BDADRP Cc1nnc(C[NH2+]CCCC[NH+](C)C)s1 ZINC000698291846 965187529 /nfs/dbraw/zinc/18/75/29/965187529.db2.gz RKZBPUZJKHMPAR-UHFFFAOYSA-N 2 0 228.365 1.278 20 0 BDADRP Cc1c(N)cc[nH+]c1N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001162977839 965216203 /nfs/dbraw/zinc/21/62/03/965216203.db2.gz IIAQJNOZDJPCAB-WCQYABFASA-N 2 0 232.331 1.669 20 0 BDADRP Cc1cc[nH+]c(N[C@H]2COCCC23C[NH2+]C3)c1C ZINC001163068186 965249073 /nfs/dbraw/zinc/24/90/73/965249073.db2.gz FXBTZXFNYOLKNN-LBPRGKRZSA-N 2 0 247.342 1.489 20 0 BDADRP c1cc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)cc2c1C[NH2+]C2 ZINC001163262664 965321090 /nfs/dbraw/zinc/32/10/90/965321090.db2.gz GWVOAOPZRLCPEW-UGFHNGPFSA-N 2 0 243.354 1.700 20 0 BDADRP C[C@H]([NH3+])c1ccc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)cc1 ZINC001163343383 965340097 /nfs/dbraw/zinc/34/00/97/965340097.db2.gz YKQXDJNLYHNQPD-VZLIPTOUSA-N 2 0 247.342 1.248 20 0 BDADRP CC[NH+](CC)CCCN[C@@H]1CC[N@H+](CC)C1 ZINC000328199402 965384894 /nfs/dbraw/zinc/38/48/94/965384894.db2.gz ROZIQZXCDRHHRA-CYBMUJFWSA-N 2 0 227.396 1.402 20 0 BDADRP CC[N@H+](CCN1CCCC1)CC1CC[NH2+]CC1 ZINC000094025160 965386904 /nfs/dbraw/zinc/38/69/04/965386904.db2.gz JYPNVJSPUCKZLY-UHFFFAOYSA-N 2 0 239.407 1.404 20 0 BDADRP OCCCCC[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC000714958995 965559913 /nfs/dbraw/zinc/55/99/13/965559913.db2.gz CMEQAAFYNSBWRV-CHWSQXEVSA-N 2 0 226.364 1.223 20 0 BDADRP C[C@@H](C[NH+](C)C)Nc1cc[nH+]c2c1ccn2C ZINC001163782533 965584963 /nfs/dbraw/zinc/58/49/63/965584963.db2.gz KSDPEEASETZNJH-JTQLQIEISA-N 2 0 232.331 1.935 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000089144426 965654743 /nfs/dbraw/zinc/65/47/43/965654743.db2.gz UHOFJGCSUPNFGM-UPJWGTAASA-N 2 0 236.363 1.379 20 0 BDADRP [NH3+][C@@H]1CCC[N@H+](CCCc2ccncc2)CC1 ZINC001205093686 965719397 /nfs/dbraw/zinc/71/93/97/965719397.db2.gz DTDOAYLBTWDOPI-CQSZACIVSA-N 2 0 233.359 1.827 20 0 BDADRP C[C@@H]1CC[C@H](C[NH3+])N(c2cc(N(C)C)cc[nH+]2)C1 ZINC001164070933 965727388 /nfs/dbraw/zinc/72/73/88/965727388.db2.gz QKWBFEHLDNSRQZ-DGCLKSJQSA-N 2 0 248.374 1.711 20 0 BDADRP Cc1cnc(N2C[C@@H](C)CC[C@@H]2C[NH3+])c(C[NH3+])c1 ZINC001164076016 965733178 /nfs/dbraw/zinc/73/31/78/965733178.db2.gz ZJSOHZJHYWSRNF-GXFFZTMASA-N 2 0 248.374 1.412 20 0 BDADRP CCC(=O)C(C)(C)C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205095032 965736135 /nfs/dbraw/zinc/73/61/35/965736135.db2.gz SXVLLKYKSVRPAH-LLVKDONJSA-N 2 0 226.364 1.805 20 0 BDADRP CCC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000715176507 965772760 /nfs/dbraw/zinc/77/27/60/965772760.db2.gz DZMJOJRMFKERAZ-UPJWGTAASA-N 2 0 228.380 1.610 20 0 BDADRP C[C@@H](Cc1cccc(F)c1)[NH2+]CCOCC[NH3+] ZINC001168458873 965775548 /nfs/dbraw/zinc/77/55/48/965775548.db2.gz JMDUEWPDIHELPU-NSHDSACASA-N 2 0 240.322 1.322 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)O1 ZINC000699263495 965825314 /nfs/dbraw/zinc/82/53/14/965825314.db2.gz KNEXBNFRVOAIPD-RKFYDKJMSA-N 2 0 238.375 1.674 20 0 BDADRP C[C@H]1COCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000699263128 965825568 /nfs/dbraw/zinc/82/55/68/965825568.db2.gz HQQZEZFJEQJPCG-RLAWYHOSSA-N 2 0 238.375 1.485 20 0 BDADRP [NH3+][C@H]1CCN(c2c[nH+]cc3cc[nH]c32)C1 ZINC001164281839 965825442 /nfs/dbraw/zinc/82/54/42/965825442.db2.gz OSEWETZAIVSDNY-VIFPVBQESA-N 2 0 202.261 1.100 20 0 BDADRP [NH3+][C@H]1CCC[N@H+](Cc2cc3cccnc3[nH]2)CC1 ZINC001205109718 965829456 /nfs/dbraw/zinc/82/94/56/965829456.db2.gz JZBVGIHITPECJI-LBPRGKRZSA-N 2 0 244.342 1.876 20 0 BDADRP Cc1ccc(C[NH2+][C@H](C)C2CC[NH2+]CC2)cn1 ZINC000400387424 965949843 /nfs/dbraw/zinc/94/98/43/965949843.db2.gz YRZRUALGCCWWTI-GFCCVEGCSA-N 2 0 233.359 1.868 20 0 BDADRP C[NH+](C)C1CCC([NH+]2CCC(C)([NH3+])CC2)CC1 ZINC000715229522 965985061 /nfs/dbraw/zinc/98/50/61/965985061.db2.gz SQQIMTYPQZQEKW-UHFFFAOYSA-N 3 0 239.407 1.672 20 0 BDADRP Cc1c[nH+]c(N2CC[C@@]3(C2)CCC[NH2+]C3)c(N)c1 ZINC001165238414 966001599 /nfs/dbraw/zinc/00/15/99/966001599.db2.gz AGHSRHHGPVRBOY-AWEZNQCLSA-N 2 0 246.358 1.552 20 0 BDADRP COc1cc[nH+]c(N2CCC3(CC([NH3+])C3)CC2)c1 ZINC001165243445 966005465 /nfs/dbraw/zinc/00/54/65/966005465.db2.gz KYTHPPQNOJHEKE-UHFFFAOYSA-N 2 0 247.342 1.798 20 0 BDADRP Nc1cc(N2CCC3(CCCC[NH2+]3)CC2)ncn1 ZINC001165249190 966006046 /nfs/dbraw/zinc/00/60/46/966006046.db2.gz XHJTUODUAVNAHM-UHFFFAOYSA-N 2 0 247.346 1.171 20 0 BDADRP CN(C[C@H]([NH3+])Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001235341637 966042631 /nfs/dbraw/zinc/04/26/31/966042631.db2.gz CEMNTPCDCCETRA-CABCVRRESA-N 2 0 247.386 1.240 20 0 BDADRP C[C@H]1C[NH2+]CCN1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001235362391 966044728 /nfs/dbraw/zinc/04/47/28/966044728.db2.gz OFGNITYODZPTOZ-LBPRGKRZSA-N 2 0 245.370 1.126 20 0 BDADRP COc1cc[nH+]c(N2CCC(C3C[NH2+]C3)CC2)c1 ZINC001165409081 966099146 /nfs/dbraw/zinc/09/91/46/966099146.db2.gz PLWQJNUWJJGKAB-UHFFFAOYSA-N 2 0 247.342 1.526 20 0 BDADRP CC[C@H]1C[N@H+](CC2(C)CC[NH2+]CC2)CCN1 ZINC001235725225 966102185 /nfs/dbraw/zinc/10/21/85/966102185.db2.gz SMXTWJDTJRQJKW-LBPRGKRZSA-N 2 0 225.380 1.060 20 0 BDADRP CCC1([NH+](C)C)CC[NH+]([C@@H](C)[C@H](C)O)CC1 ZINC000715266422 966112137 /nfs/dbraw/zinc/11/21/37/966112137.db2.gz NTVSUDCZXICBFL-RYUDHWBXSA-N 2 0 228.380 1.562 20 0 BDADRP CCN(C[C@@H]([NH3+])c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001236005106 966223404 /nfs/dbraw/zinc/22/34/04/966223404.db2.gz IZJTXMFBAHYYTE-HUUCEWRRSA-N 2 0 247.386 1.760 20 0 BDADRP CC1(C[NH3+])CN(CCC[NH+]2CCCCC2)C1 ZINC001206712292 966262398 /nfs/dbraw/zinc/26/23/98/966262398.db2.gz ZKLCOFBOHJBVQD-UHFFFAOYSA-N 2 0 225.380 1.143 20 0 BDADRP CN(C[C@@H]1CCC[NH2+]1)CC1(C)CC[NH2+]CC1 ZINC001236116947 966273894 /nfs/dbraw/zinc/27/38/94/966273894.db2.gz MQDCQBTXBPHUKB-LBPRGKRZSA-N 2 0 225.380 1.060 20 0 BDADRP [NH3+]CCc1nccn1-c1cc[nH+]c(C2CC2)c1 ZINC001166384997 966276314 /nfs/dbraw/zinc/27/63/14/966276314.db2.gz ZSPXZEHNDSKYMU-UHFFFAOYSA-N 2 0 228.299 1.646 20 0 BDADRP CN(CCC1CC[NH2+]CC1)[C@@]1(C)CCC[NH2+]C1 ZINC001236201936 966307348 /nfs/dbraw/zinc/30/73/48/966307348.db2.gz OTSXGAQNUXOSCZ-AWEZNQCLSA-N 2 0 239.407 1.450 20 0 BDADRP CN(Cc1cccc(C[NH3+])c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236213686 966309870 /nfs/dbraw/zinc/30/98/70/966309870.db2.gz CYKDTPFHEGWXQO-LSDHHAIUSA-N 2 0 247.386 1.847 20 0 BDADRP [NH3+]C[C@H]1CCCN1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001236242647 966317892 /nfs/dbraw/zinc/31/78/92/966317892.db2.gz DLUSQOKETPIOKN-OAHLLOKOSA-N 2 0 245.370 1.255 20 0 BDADRP Cc1[nH+]c(N2CCC([NH3+])CC2)cc2[nH]ccc21 ZINC001166664607 966355949 /nfs/dbraw/zinc/35/59/49/966355949.db2.gz VSUSEUUTLJIOSZ-UHFFFAOYSA-N 2 0 230.315 1.799 20 0 BDADRP CN(C[C@@H]1CC[NH2+]C1)c1[nH+]ccc2c1ccn2C ZINC001166955245 966481497 /nfs/dbraw/zinc/48/14/97/966481497.db2.gz SYUXYPUKSYDPAN-LLVKDONJSA-N 2 0 244.342 1.619 20 0 BDADRP CN(C[C@@H]1CC[NH2+]C1)c1cc2[nH]ccc2c[nH+]1 ZINC001166954622 966482087 /nfs/dbraw/zinc/48/20/87/966482087.db2.gz GCPSDNXKUUXVCT-SNVBAGLBSA-N 2 0 230.315 1.609 20 0 BDADRP CCC[N@H+](CCCC[NH3+])C[C@H]1CC[NH2+]C1 ZINC001236833061 966562297 /nfs/dbraw/zinc/56/22/97/966562297.db2.gz YPTSERGPYSNOIQ-LBPRGKRZSA-N 3 0 213.369 1.047 20 0 BDADRP C[C@H](C[NH2+][C@H]1CO[C@@H](C2CC2)C1)C[NH+](C)C ZINC000691287909 966784784 /nfs/dbraw/zinc/78/47/84/966784784.db2.gz VIQMSBQNHIFMDV-RAIGVLPGSA-N 2 0 226.364 1.341 20 0 BDADRP C[N@@H+]1CCC2(C1)CC[NH+](C[C@@H]1CCCO1)CC2 ZINC001276428036 966819414 /nfs/dbraw/zinc/81/94/14/966819414.db2.gz BBGFKZFZSDNXKI-ZDUSSCGKSA-N 2 0 238.375 1.583 20 0 BDADRP CCC1(Nc2ccc3[nH]cnc3c2)C[NH2+]C1 ZINC001168582478 966923189 /nfs/dbraw/zinc/92/31/89/966923189.db2.gz QUJCOGSJMBDMKT-UHFFFAOYSA-N 2 0 216.288 1.727 20 0 BDADRP C[NH+](C)C1CCC([NH2+]C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000715520272 966942348 /nfs/dbraw/zinc/94/23/48/966942348.db2.gz WQAGBCWLSIEAKC-HSBZDZAISA-N 3 0 239.407 1.401 20 0 BDADRP Cc1nonc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715574413 967187989 /nfs/dbraw/zinc/18/79/89/967187989.db2.gz UCHKQBBZHLYMIE-UHFFFAOYSA-N 2 0 238.335 1.340 20 0 BDADRP CN1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000715582262 967193174 /nfs/dbraw/zinc/19/31/74/967193174.db2.gz YNLBBUOBMVUPSU-HZSPNIEDSA-N 2 0 239.407 1.543 20 0 BDADRP COC(=O)CC[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715582353 967193488 /nfs/dbraw/zinc/19/34/88/967193488.db2.gz ZXTBZYMLGKLHOA-UHFFFAOYSA-N 2 0 228.336 1.012 20 0 BDADRP C[C@@H](Nc1ccc2c(c1)C[NH2+]C2)[C@H]1C[NH2+]CCO1 ZINC000169193501 967215647 /nfs/dbraw/zinc/21/56/47/967215647.db2.gz HBWSLHAERGLKOX-QMTHXVAHSA-N 2 0 247.342 1.079 20 0 BDADRP CCc1nccc(C[NH+]2CCC(C[NH3+])CC2)n1 ZINC001205033525 967219854 /nfs/dbraw/zinc/21/98/54/967219854.db2.gz JDPTUNMWHFLZQS-UHFFFAOYSA-N 2 0 234.347 1.210 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000721934327 967259255 /nfs/dbraw/zinc/25/92/55/967259255.db2.gz YIQMFJWXDSDSDA-ODXJTPSBSA-N 2 0 238.375 1.471 20 0 BDADRP C[NH+]1CCC(C[NH+]2CCC(C)(O)CC2)CC1 ZINC000691351537 967261758 /nfs/dbraw/zinc/26/17/58/967261758.db2.gz SBEUIIBLMDCEAZ-UHFFFAOYSA-N 2 0 226.364 1.175 20 0 BDADRP C[C@@H]1SCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H]1C ZINC000693561853 967264229 /nfs/dbraw/zinc/26/42/29/967264229.db2.gz KXLZPVWPSHJLMS-XWLWVQCSSA-N 2 0 214.378 1.550 20 0 BDADRP CS[C@H](C)CC[NH+]1CCC(C[NH3+])CC1 ZINC001205025709 967273733 /nfs/dbraw/zinc/27/37/33/967273733.db2.gz DAONKYRWBJZUIT-SNVBAGLBSA-N 2 0 216.394 1.799 20 0 BDADRP [NH3+]CC1CC[NH+](CCCc2cccnc2)CC1 ZINC001205025677 967299523 /nfs/dbraw/zinc/29/95/23/967299523.db2.gz CCSDXWNIOVJVGP-UHFFFAOYSA-N 2 0 233.359 1.685 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2c[nH]c3nccnc23)CC1 ZINC001205047177 967300480 /nfs/dbraw/zinc/30/04/80/967300480.db2.gz QAAQGRHAUIGNMB-UHFFFAOYSA-N 2 0 245.330 1.080 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2ccnc3[nH]ccc32)CC1 ZINC001205047562 967309693 /nfs/dbraw/zinc/30/96/93/967309693.db2.gz ZYAPLXGQPKQGRO-UHFFFAOYSA-N 2 0 244.342 1.734 20 0 BDADRP C[C@H]1CC[C@@H](C[NH3+])N1C[C@@H]1CCC[N@H+](C)C1 ZINC001205058216 967314389 /nfs/dbraw/zinc/31/43/89/967314389.db2.gz GPGCOTCRSIAXIG-XQQFMLRXSA-N 2 0 225.380 1.140 20 0 BDADRP [NH3+][C@@H]1CCC[N@H+](CCC2CC[NH2+]CC2)CC1 ZINC001205089070 967341240 /nfs/dbraw/zinc/34/12/40/967341240.db2.gz XBIFJCFERLACKK-CYBMUJFWSA-N 2 0 225.380 1.189 20 0 BDADRP [NH3+][C@H]1CCCN(CC[C@H]2CCCC[NH2+]2)CC1 ZINC001205095349 967342444 /nfs/dbraw/zinc/34/24/44/967342444.db2.gz WYVJDYANBJQIHK-QWHCGFSZSA-N 2 0 225.380 1.332 20 0 BDADRP COc1ncccc1C[NH+]1CCC(C[NH3+])CC1 ZINC000095006346 967355455 /nfs/dbraw/zinc/35/54/55/967355455.db2.gz KIUGDBKUZDIQNB-UHFFFAOYSA-N 2 0 235.331 1.261 20 0 BDADRP COC1CCC(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)CC1 ZINC001205177623 967411215 /nfs/dbraw/zinc/41/12/15/967411215.db2.gz YSGOAGISEJMLQV-IKWCTNDRSA-N 2 0 226.364 1.613 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCN1CCC1CC[NH+](C)CC1 ZINC001205171422 967413550 /nfs/dbraw/zinc/41/35/50/967413550.db2.gz QAJKPBVUFREBPY-DGCLKSJQSA-N 2 0 225.380 1.140 20 0 BDADRP Cc1ccc(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)cn1 ZINC001205228632 967427893 /nfs/dbraw/zinc/42/78/93/967427893.db2.gz GRQJESRKPWUBKX-CQSZACIVSA-N 2 0 249.358 1.066 20 0 BDADRP C[C@@]1([NH3+])CCCN(C[C@H]2CCCC[NH2+]2)CC1 ZINC001205257146 967445127 /nfs/dbraw/zinc/44/51/27/967445127.db2.gz SQUGFOAKIPEXMC-CHWSQXEVSA-N 2 0 225.380 1.332 20 0 BDADRP C[C@@]1([NH3+])CCC[N@H+](CCCC2OCCO2)CC1 ZINC001205257140 967447751 /nfs/dbraw/zinc/44/77/51/967447751.db2.gz SOZHHGPFTXYQAA-CYBMUJFWSA-N 2 0 242.363 1.343 20 0 BDADRP C[C@]1([NH3+])CCC[N@H+](C[C@H]2CCCOC2)CC1 ZINC001205258002 967451601 /nfs/dbraw/zinc/45/16/01/967451601.db2.gz ZUPDHHQHXZKZEJ-OLZOCXBDSA-N 2 0 226.364 1.616 20 0 BDADRP C[C@H]1CC[NH2+]CCN1C[C@H]([NH3+])Cc1ccccc1 ZINC001205325529 967544852 /nfs/dbraw/zinc/54/48/52/967544852.db2.gz OVBHZGZRDANIDD-DZGCQCFKSA-N 2 0 247.386 1.240 20 0 BDADRP c1cc(N2CCN(c3cc[nH+]cc3)CC2)cc[nH+]1 ZINC000169499538 967562939 /nfs/dbraw/zinc/56/29/39/967562939.db2.gz GFAWJFJDLKRABO-UHFFFAOYSA-N 2 0 240.310 1.803 20 0 BDADRP COCCCC[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205545632 967692152 /nfs/dbraw/zinc/69/21/52/967692152.db2.gz KUUUSKGFPMUPBY-LBPRGKRZSA-N 2 0 232.343 1.566 20 0 BDADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cnsc2)CC1 ZINC001205578610 967704278 /nfs/dbraw/zinc/70/42/78/967704278.db2.gz GWXSZJXFOFJXLM-LLVKDONJSA-N 2 0 243.351 1.796 20 0 BDADRP COCOCCC[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205603668 967718553 /nfs/dbraw/zinc/71/85/53/967718553.db2.gz RWKHIYNGXMHOPD-OLZOCXBDSA-N 2 0 244.379 1.304 20 0 BDADRP COCOCCC[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205603669 967721610 /nfs/dbraw/zinc/72/16/10/967721610.db2.gz RWKHIYNGXMHOPD-QWHCGFSZSA-N 2 0 244.379 1.304 20 0 BDADRP Cc1c[nH]c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)n1 ZINC001205617854 967724615 /nfs/dbraw/zinc/72/46/15/967724615.db2.gz OOTAITULVKWNSE-CMPLNLGQSA-N 2 0 236.363 1.525 20 0 BDADRP Cc1n[nH]cc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205615986 967726814 /nfs/dbraw/zinc/72/68/14/967726814.db2.gz BLQHGCJLLQTQIP-ZYHUDNBSSA-N 2 0 236.363 1.525 20 0 BDADRP C[C@H]1CC[N@H+](Cc2cncs2)CC[C@H]1C[NH3+] ZINC001205617952 967728762 /nfs/dbraw/zinc/72/87/62/967728762.db2.gz PWGXISUHVBILCN-QWRGUYRKSA-N 2 0 239.388 1.950 20 0 BDADRP C[C@H]1CC[N@H+](Cc2cc[nH]c(=O)c2)CC[C@H]1C[NH3+] ZINC001205618054 967730206 /nfs/dbraw/zinc/73/02/06/967730206.db2.gz RACLSVKFQUHQRL-AAEUAGOBSA-N 2 0 249.358 1.594 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2cncs2)CC[C@H]1C[NH3+] ZINC001205617951 967731338 /nfs/dbraw/zinc/73/13/38/967731338.db2.gz PWGXISUHVBILCN-MNOVXSKESA-N 2 0 239.388 1.950 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2cc[nH]c2)CC[C@@H]1C[NH3+] ZINC001205627222 967735188 /nfs/dbraw/zinc/73/51/88/967735188.db2.gz NYSDRROPXXMONT-DGCLKSJQSA-N 2 0 221.348 1.822 20 0 BDADRP Cc1ncncc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205652530 967739352 /nfs/dbraw/zinc/73/93/52/967739352.db2.gz PYLJFTABMZEPKD-DGCLKSJQSA-N 2 0 248.374 1.592 20 0 BDADRP [NH3+]C[C@@H]1CN(C[C@@H]2CCCC[NH2+]2)CCC1(F)F ZINC001205734721 967810010 /nfs/dbraw/zinc/81/00/10/967810010.db2.gz GXZLERGBVQKDNX-MNOVXSKESA-N 2 0 247.333 1.044 20 0 BDADRP Cc1ncc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)o1 ZINC001276484282 967814482 /nfs/dbraw/zinc/81/44/82/967814482.db2.gz OJXMCAVTDUMLED-UHFFFAOYSA-N 2 0 249.358 1.901 20 0 BDADRP C[C@@H]1CC[C@H](CN)[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC001205803900 967828471 /nfs/dbraw/zinc/82/84/71/967828471.db2.gz KISLLIJVTGSCSQ-MGPQQGTHSA-N 2 0 239.407 1.435 20 0 BDADRP C[C@H]1CC[C@@H](CN)[N@H+](CCCCCC[NH3+])C1 ZINC001205807043 967830311 /nfs/dbraw/zinc/83/03/11/967830311.db2.gz XLTLPOXJUAYAIX-STQMWFEESA-N 2 0 227.396 1.565 20 0 BDADRP F[C@@H]1C[NH2+][C@H](CNc2cccc3c2C[NH2+]CC3)C1 ZINC001162477270 967843586 /nfs/dbraw/zinc/84/35/86/967843586.db2.gz GDVXYGRMXBXEBD-RYUDHWBXSA-N 2 0 249.333 1.444 20 0 BDADRP COC1CC(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000703882911 967881030 /nfs/dbraw/zinc/88/10/30/967881030.db2.gz YIQMFJWXDSDSDA-XTNFGFQESA-N 2 0 238.375 1.471 20 0 BDADRP CC[NH2+]CC1CC[NH+](CC2CC(OC)C2)CC1 ZINC000703887935 967882188 /nfs/dbraw/zinc/88/21/88/967882188.db2.gz HSVSONTZGFWKBR-UHFFFAOYSA-N 2 0 240.391 1.733 20 0 BDADRP CC(C)c1ccccc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205966888 967915581 /nfs/dbraw/zinc/91/55/81/967915581.db2.gz CVEXNPBQULTAEH-HUUCEWRRSA-N 2 0 248.370 1.704 20 0 BDADRP COc1cc[nH+]c(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)c1 ZINC001162790687 967919920 /nfs/dbraw/zinc/91/99/20/967919920.db2.gz VRPXIIVLWDMMFN-ADEWGFFLSA-N 2 0 231.299 1.276 20 0 BDADRP COc1cc[nH+]c(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)c1 ZINC001162790689 967920110 /nfs/dbraw/zinc/92/01/10/967920110.db2.gz VRPXIIVLWDMMFN-YUSALJHKSA-N 2 0 231.299 1.276 20 0 BDADRP C[C@H]1C[N@H+](Cc2cnoc2)CCC[C@H]1C[NH3+] ZINC001205996376 967947083 /nfs/dbraw/zinc/94/70/83/967947083.db2.gz WPTJUUYPYWGMND-JQWIXIFHSA-N 2 0 223.320 1.481 20 0 BDADRP Cc1nccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)n1 ZINC001205996719 967949293 /nfs/dbraw/zinc/94/92/93/967949293.db2.gz XYLQFVLXQNNQCZ-AAEUAGOBSA-N 2 0 248.374 1.592 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cn(C)cn2)CCC[C@@H]1C[NH3+] ZINC001205995914 967949993 /nfs/dbraw/zinc/94/99/93/967949993.db2.gz RSGMDVACXMHTGB-VXGBXAGGSA-N 2 0 236.363 1.227 20 0 BDADRP C[C@H]1C[N@H+](Cc2cccnn2)CCC[C@H]1C[NH3+] ZINC001206005634 967958894 /nfs/dbraw/zinc/95/88/94/967958894.db2.gz YWMQSAJKMIVJPZ-RYUDHWBXSA-N 2 0 234.347 1.283 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccns2)CCC[C@H]1C[NH3+] ZINC001206012389 967968304 /nfs/dbraw/zinc/96/83/04/967968304.db2.gz LAIISDODMSMKPU-MNOVXSKESA-N 2 0 239.388 1.950 20 0 BDADRP C[C@@H]1CN(Cc2cc3c[nH+]ccc3[nH]2)C[C@H]1[NH3+] ZINC001206070458 968039274 /nfs/dbraw/zinc/03/92/74/968039274.db2.gz LDTBGKXIDUNCMT-BXKDBHETSA-N 2 0 230.315 1.342 20 0 BDADRP CN(CCC[NH+](C)C)c1ccc2c(n1)CC[NH2+]C2 ZINC001163595944 968076786 /nfs/dbraw/zinc/07/67/86/968076786.db2.gz XLYUHGHGUBEQGL-UHFFFAOYSA-N 2 0 248.374 1.115 20 0 BDADRP [NH3+][C@H]1CCN(Cc2cccnc2)CC[C@@H]1F ZINC001206167072 968101783 /nfs/dbraw/zinc/10/17/83/968101783.db2.gz WUULHLMQCZHEBI-RYUDHWBXSA-N 2 0 223.295 1.343 20 0 BDADRP C[C@@H](C[NH+](C)C)Nc1cccc(C[NH3+])c1 ZINC001163779026 968119280 /nfs/dbraw/zinc/11/92/80/968119280.db2.gz VEPZKXVVLSXMAC-JTQLQIEISA-N 2 0 207.321 1.507 20 0 BDADRP CCC[NH2+]CC[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001273204481 968227317 /nfs/dbraw/zinc/22/73/17/968227317.db2.gz LIFKNLDGRCCKHK-GFCCVEGCSA-N 2 0 243.395 1.221 20 0 BDADRP Cc1cnc(N2C[C@@H](C[NH3+])CC[C@H]2C)c(C[NH3+])c1 ZINC001164467665 968236824 /nfs/dbraw/zinc/23/68/24/968236824.db2.gz LAKNXKDKJATWCT-VXGBXAGGSA-N 2 0 248.374 1.412 20 0 BDADRP Cc1nonc1C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206336137 968239306 /nfs/dbraw/zinc/23/93/06/968239306.db2.gz KBVUAOGHUQEHJT-GFCCVEGCSA-N 2 0 238.335 1.329 20 0 BDADRP Cc1[nH+]c(N2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)cc2[nH]ccc21 ZINC001165382369 968285994 /nfs/dbraw/zinc/28/59/94/968285994.db2.gz NOLQPBDSMWQCJQ-DDFAGTSDSA-N 2 0 228.299 1.265 20 0 BDADRP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2C2CC2)C[C@H]1O ZINC001206468419 968323538 /nfs/dbraw/zinc/32/35/38/968323538.db2.gz HSQGIRKZVRKODE-DZGCQCFKSA-N 2 0 246.354 1.315 20 0 BDADRP CC[C@@H](O)C[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001251799508 968337146 /nfs/dbraw/zinc/33/71/46/968337146.db2.gz AZFNFBSTPQILPC-MGPQQGTHSA-N 2 0 242.407 1.715 20 0 BDADRP CCc1ccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)s1 ZINC001206524954 968353132 /nfs/dbraw/zinc/35/31/32/968353132.db2.gz CCAOFUNRQMXZNX-CABZTGNLSA-N 2 0 240.372 1.062 20 0 BDADRP CCc1cccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206525199 968355712 /nfs/dbraw/zinc/35/57/12/968355712.db2.gz KOWVFHQRGUKMDC-KBPBESRZSA-N 2 0 234.343 1.000 20 0 BDADRP CCc1cc(Nc2cc[nH+]c(N)c2)cc[nH+]1 ZINC001206535567 968362870 /nfs/dbraw/zinc/36/28/70/968362870.db2.gz LCXGTABATFNIIA-UHFFFAOYSA-N 2 0 214.272 1.787 20 0 BDADRP CC(C)C[N@H+](C)CCC[NH2+][C@H]1C[C@@H]2COC[C@@H]21 ZINC001206537070 968364552 /nfs/dbraw/zinc/36/45/52/968364552.db2.gz HNGOOGSABBEIFK-RDBSUJKOSA-N 2 0 240.391 1.589 20 0 BDADRP COCC[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206541175 968365221 /nfs/dbraw/zinc/36/52/21/968365221.db2.gz FPOIBFUJQLNGRG-NSHDSACASA-N 2 0 200.326 1.084 20 0 BDADRP C[C@]1(C[NH3+])CCCC[N@H+](Cc2ccncc2[O-])C1 ZINC001206555993 968379010 /nfs/dbraw/zinc/37/90/10/968379010.db2.gz LTOSLHZTBVGRRB-CQSZACIVSA-N 2 0 249.358 1.738 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)CCCCO)C1CC[NH2+]CC1 ZINC000400388118 968379499 /nfs/dbraw/zinc/37/94/99/968379499.db2.gz MJZYSRGZYNNCMB-NWDGAFQWSA-N 2 0 228.380 1.515 20 0 BDADRP Cc1cc(NC(=O)[C@@H]2CCCN2C)cc(C)n1 ZINC001119524427 968399748 /nfs/dbraw/zinc/39/97/48/968399748.db2.gz NIAZFDVKWIYOSO-LBPRGKRZSA-N 2 0 233.315 1.153 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206606410 968416458 /nfs/dbraw/zinc/41/64/58/968416458.db2.gz NBWGZIMDNFKBRJ-CYBMUJFWSA-N 2 0 227.396 1.566 20 0 BDADRP [NH3+]C[C@@H]1CCCCN(CC[C@@H]2CCCC[NH2+]2)C1 ZINC001206606353 968417007 /nfs/dbraw/zinc/41/70/07/968417007.db2.gz LOENEQPXXQTRJN-KBPBESRZSA-N 3 0 239.407 1.579 20 0 BDADRP [NH3+]C[C@@H]1CCCC[N@H+](Cc2ccc[nH]c2=O)C1 ZINC001206616849 968420400 /nfs/dbraw/zinc/42/04/00/968420400.db2.gz RKBKPTYFEZRXIF-NSHDSACASA-N 2 0 235.331 1.348 20 0 BDADRP Cc1ccnc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c1 ZINC001206617053 968420843 /nfs/dbraw/zinc/42/08/43/968420843.db2.gz ZDUPRHFHQNBSCY-CYBMUJFWSA-N 2 0 233.359 1.951 20 0 BDADRP CC[N@@H+]1CCC[C@H](OCC[NH+]2CCCCC2)C1 ZINC001206710205 968437701 /nfs/dbraw/zinc/43/77/01/968437701.db2.gz XBAXGOSOLUJWOW-AWEZNQCLSA-N 2 0 240.391 1.973 20 0 BDADRP CCCC[C@H](O)C[NH2+]CCC[NH+](CC)CC ZINC001252076817 968494917 /nfs/dbraw/zinc/49/49/17/968494917.db2.gz CFGTVBKNBYRYGB-ZDUSSCGKSA-N 2 0 230.396 1.859 20 0 BDADRP C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205985647 968668344 /nfs/dbraw/zinc/66/83/44/968668344.db2.gz ZCKLESAVYSESNO-NDBYEHHHSA-N 2 0 210.365 1.949 20 0 BDADRP Cc1cncc(C[NH+]2CCC3(C[NH+](C)C3)CC2)c1 ZINC001207162332 968669954 /nfs/dbraw/zinc/66/99/54/968669954.db2.gz DKUMSJKSSKQQAG-UHFFFAOYSA-N 2 0 245.370 1.918 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2C[C@H]3CC[C@@H]2CO3)CC1 ZINC001207403003 968756772 /nfs/dbraw/zinc/75/67/72/968756772.db2.gz PRVFVKPAVCYRRU-CHWSQXEVSA-N 2 0 224.348 1.191 20 0 BDADRP CC(=O)[C@@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC001207440837 968775406 /nfs/dbraw/zinc/77/54/06/968775406.db2.gz GXEPEHLMWGMRNY-ZDUSSCGKSA-N 2 0 224.348 1.430 20 0 BDADRP CO[C@H]1CC[N@H+](CCC2CC[NH+](C)CC2)C1 ZINC001207481534 968791838 /nfs/dbraw/zinc/79/18/38/968791838.db2.gz KKBHTDQGEPAIBN-ZDUSSCGKSA-N 2 0 226.364 1.439 20 0 BDADRP C[C@H]1C[C@@H](CO)[N@H+](CCC2CC[NH+](C)CC2)C1 ZINC001207479239 968792255 /nfs/dbraw/zinc/79/22/55/968792255.db2.gz DOPKVTRPJHJGDP-JSGCOSHPSA-N 2 0 240.391 1.421 20 0 BDADRP C[NH+]1CCC(CC[N@@H+]2CCCC(=O)CC2)CC1 ZINC001207481487 968796871 /nfs/dbraw/zinc/79/68/71/968796871.db2.gz IUUUDRNDMOQQMZ-UHFFFAOYSA-N 2 0 238.375 1.773 20 0 BDADRP C[N@H+](CCC1CC[NH+](C)CC1)Cc1cncnc1 ZINC001207488847 968802782 /nfs/dbraw/zinc/80/27/82/968802782.db2.gz QMGQDNPBCRJTNF-UHFFFAOYSA-N 2 0 248.374 1.640 20 0 BDADRP CC[NH+]1CCC(N(C)CCC[NH+](C)C)CC1 ZINC000336673526 968824588 /nfs/dbraw/zinc/82/45/88/968824588.db2.gz KTXVMGIQFIXZES-UHFFFAOYSA-N 2 0 227.396 1.354 20 0 BDADRP C[NH+](C)Cc1ccnc(N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC001154990943 968844007 /nfs/dbraw/zinc/84/40/07/968844007.db2.gz ZEYQMWSEGNYUGM-STQMWFEESA-N 2 0 248.374 1.825 20 0 BDADRP CN1CCC([N@H+](C)CC2(C)CCOCC2)CC1 ZINC001207965587 968964633 /nfs/dbraw/zinc/96/46/33/968964633.db2.gz WXUCODOLWOFFJW-UHFFFAOYSA-N 2 0 240.391 1.829 20 0 BDADRP CCC[C@H](O)C[NH+]1C[C@H]2C[NH+](CCC)C[C@@H]2C1 ZINC001252789038 968967475 /nfs/dbraw/zinc/96/74/75/968967475.db2.gz GYBHPTXQZSREBJ-MCIONIFRSA-N 2 0 240.391 1.421 20 0 BDADRP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)C1CCOCC1 ZINC000405357039 968986760 /nfs/dbraw/zinc/98/67/60/968986760.db2.gz RQEVYHSQFUFJKK-UHTWSYAYSA-N 2 0 238.375 1.661 20 0 BDADRP CC[NH+]1C[C@H]2C[NH+](CCCn3cccn3)C[C@@H]2C1 ZINC001208086115 968989397 /nfs/dbraw/zinc/98/93/97/968989397.db2.gz FOSWGNPBFVEQGQ-KBPBESRZSA-N 2 0 248.374 1.157 20 0 BDADRP CCC[C@H](O)C[NH2+]CCc1c[nH]c2cc[nH+]cc12 ZINC001252806255 968994114 /nfs/dbraw/zinc/99/41/14/968994114.db2.gz ROKAQETWCOXSQF-LBPRGKRZSA-N 2 0 247.342 1.856 20 0 BDADRP CCC[C@H](O)C[NH2+][C@H]1CC[C@@H]([NH+](C)C)CC1 ZINC001252807336 968994289 /nfs/dbraw/zinc/99/42/89/968994289.db2.gz HHHITCBEJSEIOD-XQQFMLRXSA-N 2 0 228.380 1.610 20 0 BDADRP CCC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C(C)C)C[C@@H]1C ZINC001252808003 968996134 /nfs/dbraw/zinc/99/61/34/968996134.db2.gz AVFVVQZLFSRJTQ-MELADBBJSA-N 2 0 242.407 1.856 20 0 BDADRP C[NH+]1CCC(C)(C[N@@H+]2CCC[C@](C)(O)C2)CC1 ZINC001208114425 969005567 /nfs/dbraw/zinc/00/55/67/969005567.db2.gz WLNBNGBCTNJHHO-AWEZNQCLSA-N 2 0 240.391 1.565 20 0 BDADRP CC(C)OC1C[NH+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208110451 969006005 /nfs/dbraw/zinc/00/60/05/969006005.db2.gz DADJTVNCNKUJLI-UHFFFAOYSA-N 2 0 240.391 1.828 20 0 BDADRP COC(=O)[C@H](C)N(C)CC1(C)CC[NH+](C)CC1 ZINC001208109897 969006496 /nfs/dbraw/zinc/00/64/96/969006496.db2.gz VIUHBVRMKDTTHB-NSHDSACASA-N 2 0 242.363 1.212 20 0 BDADRP C[NH+](C)CCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC001208124403 969012680 /nfs/dbraw/zinc/01/26/80/969012680.db2.gz PRYUPWNOGLKBHD-OAHLLOKOSA-N 2 0 247.386 1.537 20 0 BDADRP C[NH+](C)CCN1CCC([NH+]2CCCCC2)CC1 ZINC001208124593 969018503 /nfs/dbraw/zinc/01/85/03/969018503.db2.gz UZTIYBLTVQNCBU-UHFFFAOYSA-N 2 0 239.407 1.498 20 0 BDADRP CC(C)[NH+]1CCC(C[N@H+](C)CCN(C)C)CC1 ZINC001208126850 969018571 /nfs/dbraw/zinc/01/85/71/969018571.db2.gz LKAUDLIOCWOETH-UHFFFAOYSA-N 2 0 241.423 1.600 20 0 BDADRP C[NH+](C)CCN1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC001208126516 969020090 /nfs/dbraw/zinc/02/00/90/969020090.db2.gz JGPUOFXRQAMVEE-OAHLLOKOSA-N 2 0 247.386 1.537 20 0 BDADRP CC[NH+](CC)C[C@@H](O)CNC(=[NH2+])C(C)(C)C ZINC001253203736 969105858 /nfs/dbraw/zinc/10/58/58/969105858.db2.gz XDUUSUVKRDVNKN-JTQLQIEISA-N 2 0 229.368 1.302 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CC[C@H](OC)C2)CC1 ZINC001208593484 969150032 /nfs/dbraw/zinc/15/00/32/969150032.db2.gz UBRRCRNZCBHYGS-ZDUSSCGKSA-N 2 0 226.364 1.439 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CCCC[C@H](O)C2)CC1 ZINC001208593671 969151807 /nfs/dbraw/zinc/15/18/07/969151807.db2.gz YYWNKXTWMFENHB-AWEZNQCLSA-N 2 0 240.391 1.565 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001208592771 969152037 /nfs/dbraw/zinc/15/20/37/969152037.db2.gz BKTZWSHDWSIIOG-UHFFFAOYSA-N 2 0 240.391 1.829 20 0 BDADRP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC001253395021 969152972 /nfs/dbraw/zinc/15/29/72/969152972.db2.gz XXJJSTRSTPCELU-QJPTWQEYSA-N 2 0 226.364 1.220 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)CC1 ZINC001208601676 969155176 /nfs/dbraw/zinc/15/51/76/969155176.db2.gz QPIMWRZXNMPUTD-ZSOGYDGISA-N 2 0 240.366 1.866 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH+]2CCC3(CC3)C2)C1 ZINC001208606456 969157944 /nfs/dbraw/zinc/15/79/44/969157944.db2.gz GNZZVENPURSFBI-GFCCVEGCSA-N 2 0 208.349 1.814 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@H]2CCC[NH+](C)C2)C[C@]1(C)O ZINC001208606852 969161016 /nfs/dbraw/zinc/16/10/16/969161016.db2.gz HVRZWTCHFREGOG-RDBSUJKOSA-N 2 0 240.391 1.421 20 0 BDADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C1(CC2CC2)CC1 ZINC001253411111 969165072 /nfs/dbraw/zinc/16/50/72/969165072.db2.gz BTDNKPALGLQHOW-GFCCVEGCSA-N 2 0 240.391 1.658 20 0 BDADRP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](CCC1CC1)C2 ZINC001208687317 969195919 /nfs/dbraw/zinc/19/59/19/969195919.db2.gz AGYWUKHGOGGPKI-CHWSQXEVSA-N 2 0 208.349 1.670 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccnn2C)CCC[C@@H]1C[NH3+] ZINC001205991349 969203962 /nfs/dbraw/zinc/20/39/62/969203962.db2.gz AEOBVJBARTWUPG-NWDGAFQWSA-N 2 0 236.363 1.227 20 0 BDADRP [NH3+]Cc1cccc(-n2cc3c(n2)CC[C@H]([NH3+])C3)c1 ZINC001168816455 969218280 /nfs/dbraw/zinc/21/82/80/969218280.db2.gz RBQZMNZLWAWMKJ-LBPRGKRZSA-N 2 0 242.326 1.147 20 0 BDADRP C/C=C(\NC=[NH2+])n1cnc2ccc(C[NH3+])cc21 ZINC001168841301 969231454 /nfs/dbraw/zinc/23/14/54/969231454.db2.gz QVTNBOFZBOJHOD-SWGQDTFXSA-N 2 0 229.287 1.510 20 0 BDADRP CCOC(C)(C)C[N@H+](C)CCC[NH+](C)C ZINC001209070212 969347452 /nfs/dbraw/zinc/34/74/52/969347452.db2.gz OYRYBOKYKKZHEQ-UHFFFAOYSA-N 2 0 216.369 1.685 20 0 BDADRP CCOC(C)(C)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001209077968 969348427 /nfs/dbraw/zinc/34/84/27/969348427.db2.gz UXMJFCHCSGJBFT-AWEZNQCLSA-N 2 0 240.391 1.829 20 0 BDADRP C[NH+](C)CCC(C)(C)[NH2+]C[C@H](O)C(C)(C)C ZINC001253744772 969361672 /nfs/dbraw/zinc/36/16/72/969361672.db2.gz DULYQCRHBVQEEB-NSHDSACASA-N 2 0 230.396 1.713 20 0 BDADRP CC[C@H](C)[C@@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169094514 969387465 /nfs/dbraw/zinc/38/74/65/969387465.db2.gz MASQDIRDIOPWBJ-PDWCTOEPSA-N 2 0 240.391 1.608 20 0 BDADRP C[C@@H]([NH3+])c1ccn([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC001169100527 969390850 /nfs/dbraw/zinc/39/08/50/969390850.db2.gz KNUCYECRLRXNEO-WYUUTHIRSA-N 2 0 234.347 1.701 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CC[C@@H](O)CC1)C2 ZINC001169097521 969393424 /nfs/dbraw/zinc/39/34/24/969393424.db2.gz AYCVRPATHSXXSV-WZNRFSEPSA-N 2 0 238.375 1.505 20 0 BDADRP CCC[C@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169098387 969393791 /nfs/dbraw/zinc/39/37/91/969393791.db2.gz HAVQRWIRMGXXNH-FVCCEPFGSA-N 2 0 226.364 1.362 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1ncccn1)C2 ZINC001169100463 969393881 /nfs/dbraw/zinc/39/38/81/969393881.db2.gz JJUOIQOCARQMRA-CLLJXQQHSA-N 2 0 246.358 1.234 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001253785390 969407022 /nfs/dbraw/zinc/40/70/22/969407022.db2.gz UQGVZXMFVIYDAB-YIYPIFLZSA-N 2 0 240.391 1.608 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C(C)(C)CCO)C2 ZINC001169090634 969410584 /nfs/dbraw/zinc/41/05/84/969410584.db2.gz JVZVXEGJBSMFFP-ZSBIGDGJSA-N 2 0 226.364 1.362 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCC[C@H]1CO)C2 ZINC001169120204 969413801 /nfs/dbraw/zinc/41/38/01/969413801.db2.gz ZLXBJBRJAXXBOD-YHQUGGNUSA-N 2 0 238.375 1.362 20 0 BDADRP CN(CCC[NH+](C)C)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169122999 969419052 /nfs/dbraw/zinc/41/90/52/969419052.db2.gz GZESOQTZEBBQLC-WDNDVIMCSA-N 2 0 239.407 1.495 20 0 BDADRP CO[C@@H]1CCC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169125452 969424956 /nfs/dbraw/zinc/42/49/56/969424956.db2.gz IPKBERFUHPEWEF-ZOBORPQBSA-N 2 0 238.375 1.722 20 0 BDADRP COC[C@H]1CC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169124924 969425017 /nfs/dbraw/zinc/42/50/17/969425017.db2.gz HDVTWVTYNWWWPY-IGQOVBAYSA-N 2 0 238.375 1.580 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(O)CC1)C2 ZINC001169125294 969426496 /nfs/dbraw/zinc/42/64/96/969426496.db2.gz YKXLTNPCQWBRSZ-GDNZZTSVSA-N 2 0 224.348 1.068 20 0 BDADRP C[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@H]1O ZINC001169126972 969434851 /nfs/dbraw/zinc/43/48/51/969434851.db2.gz YNYABJPYUYOPNU-RKQHYHRCSA-N 2 0 238.375 1.314 20 0 BDADRP C[C@@H](CO)CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169109458 969443277 /nfs/dbraw/zinc/44/32/77/969443277.db2.gz IRSHXANFIFOKOE-LPWJVIDDSA-N 2 0 226.364 1.220 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[NH+]3CCC[C@H]3C1)C2 ZINC001169139636 969447118 /nfs/dbraw/zinc/44/71/18/969447118.db2.gz CNJIRVOYFBDMIX-LJISPDSOSA-N 2 0 249.402 1.392 20 0 BDADRP C[N@H+](CC1(C)COC1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169142870 969460222 /nfs/dbraw/zinc/46/02/22/969460222.db2.gz WZJRGODHESDCBB-CLLJXQQHSA-N 2 0 238.375 1.580 20 0 BDADRP Cc1cc(NC[C@H]2CC[N@@H+]2C(C)(C)C)nc(N)[nH+]1 ZINC000690358578 969474969 /nfs/dbraw/zinc/47/49/69/969474969.db2.gz TYHQADWVURZGDI-SNVBAGLBSA-N 2 0 249.362 1.652 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[NH+]3CC[C@@H]3C1)C2 ZINC001169161976 969478647 /nfs/dbraw/zinc/47/86/47/969478647.db2.gz QZNBGRHYBZGGGW-XJFOESAGSA-N 2 0 235.375 1.002 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[NH+]3CC[C@H]3C1)C2 ZINC001169161974 969480545 /nfs/dbraw/zinc/48/05/45/969480545.db2.gz QZNBGRHYBZGGGW-RFQIPJPRSA-N 2 0 235.375 1.002 20 0 BDADRP CCCC[C@@H](CO)[NH2+]C1CCN(CC)CC1 ZINC001169224202 969493388 /nfs/dbraw/zinc/49/33/88/969493388.db2.gz COVXWEAKFUNJRX-ZDUSSCGKSA-N 2 0 228.380 1.611 20 0 BDADRP CC[NH+]1CCC(n2ccc(C[NH3+])c2)CC1 ZINC001169230276 969501524 /nfs/dbraw/zinc/50/15/24/969501524.db2.gz VNIZFDZWEMHXJR-UHFFFAOYSA-N 2 0 207.321 1.604 20 0 BDADRP CC[NH+]1CCC([NH2+]CCc2nncs2)CC1 ZINC001169240497 969530029 /nfs/dbraw/zinc/53/00/29/969530029.db2.gz JUZXCIWLWQHDGL-UHFFFAOYSA-N 2 0 240.376 1.155 20 0 BDADRP C[NH+](C)CCCCC[NH2+][C@H]1CCCOC1 ZINC001254362492 969575604 /nfs/dbraw/zinc/57/56/04/969575604.db2.gz NOQXCSSLFMCCMB-LBPRGKRZSA-N 2 0 214.353 1.487 20 0 BDADRP CC(C)[NH+]1CCC(C[NH2+][C@@H]2CCCOC2)CC1 ZINC001254367196 969581595 /nfs/dbraw/zinc/58/15/95/969581595.db2.gz DUDXOKLIZUVCFB-CQSZACIVSA-N 2 0 240.391 1.875 20 0 BDADRP Nc1cc[nH+]cc1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001209733944 969595995 /nfs/dbraw/zinc/59/59/95/969595995.db2.gz IVMOLEDSYNFVSV-CYBMUJFWSA-N 2 0 246.358 1.164 20 0 BDADRP CC(C)(O)[C@H]1CCC[N@@H+]1Cc1cnccc1N ZINC001209736121 969600554 /nfs/dbraw/zinc/60/05/54/969600554.db2.gz DGJUGWOGXKPDLE-GFCCVEGCSA-N 2 0 235.331 1.229 20 0 BDADRP CCC[C@H](CO)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001254504003 969647449 /nfs/dbraw/zinc/64/74/49/969647449.db2.gz QGJHOOUSAAIGOE-VXGBXAGGSA-N 2 0 214.353 1.221 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+]C2CC(F)C2)CC1 ZINC001254497168 969659024 /nfs/dbraw/zinc/65/90/24/969659024.db2.gz HFXMCIWAVABMMS-HSOILSAZSA-N 2 0 200.301 1.561 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CC[C@@H](F)C2)CC1 ZINC001254500618 969663212 /nfs/dbraw/zinc/66/32/12/969663212.db2.gz WSRMGWAYPIFDPV-UTUOFQBUSA-N 2 0 214.328 1.951 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](C)N1C[C@H]([NH3+])Cc1ccccc1 ZINC001209856350 969667808 /nfs/dbraw/zinc/66/78/08/969667808.db2.gz BAYKUTOKIRRVBV-VNHYZAJKSA-N 2 0 247.386 1.239 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+]C[C@@H](O)c2ccccn2)CC1 ZINC001254506244 969673087 /nfs/dbraw/zinc/67/30/87/969673087.db2.gz QAFFWPJFXMPVKV-GXTWGEPZSA-N 2 0 249.358 1.189 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+]CCc2ncccn2)CC1 ZINC001254505903 969674137 /nfs/dbraw/zinc/67/41/37/969674137.db2.gz LLLSXFPIWKTPRK-LBPRGKRZSA-N 2 0 234.347 1.093 20 0 BDADRP C[NH+](C)CCC(C)(C)N[C@@H]1CCC[N@H+](C)CC1 ZINC001254506716 969675412 /nfs/dbraw/zinc/67/54/12/969675412.db2.gz YIVGSMRSUUBWJI-CYBMUJFWSA-N 2 0 241.423 1.791 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+]C[C@@H](O)c2ccncc2)CC1 ZINC001254514033 969688288 /nfs/dbraw/zinc/68/82/88/969688288.db2.gz IOSFZCKXGDZUBC-UONOGXRCSA-N 2 0 249.358 1.189 20 0 BDADRP C[N@@H+]1CCC[C@H](n2ncc3c2CC[NH2+]C3)CC1 ZINC001254518976 969697465 /nfs/dbraw/zinc/69/74/65/969697465.db2.gz FVRYOKFKZYSHKV-LBPRGKRZSA-N 2 0 234.347 1.186 20 0 BDADRP C[N@@H+]1CCC[C@@H](N2CC[NH+]3CCC[C@H]3C2)CC1 ZINC001254522958 969708659 /nfs/dbraw/zinc/70/86/59/969708659.db2.gz LCMUDPQXVCYXAJ-KGLIPLIRSA-N 2 0 237.391 1.251 20 0 BDADRP CCCO[C@@H]1CC[N@@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254524697 969718582 /nfs/dbraw/zinc/71/85/82/969718582.db2.gz YTCPVYPCMFJMPB-UONOGXRCSA-N 2 0 240.391 1.972 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH+]2C[C@H]3CC[C@@H]2C3)CC1 ZINC001254527523 969720400 /nfs/dbraw/zinc/72/04/00/969720400.db2.gz ZBPMIKUEVFVZAE-RWMBFGLXSA-N 2 0 208.349 1.955 20 0 BDADRP CC[N@H+](CCC(=O)OC)[C@H]1CCC[NH+](C)CC1 ZINC001254532084 969726914 /nfs/dbraw/zinc/72/69/14/969726914.db2.gz OUAYGQMJDFWNGD-LBPRGKRZSA-N 2 0 242.363 1.356 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH+]2CCC[C@@H]2CF)CC1 ZINC001254530811 969733196 /nfs/dbraw/zinc/73/31/96/969733196.db2.gz BUFWPDCRDRUVNQ-NWDGAFQWSA-N 2 0 214.328 1.905 20 0 BDADRP CC(C)N(CCC[NH3+])[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254835612 969798424 /nfs/dbraw/zinc/79/84/24/969798424.db2.gz HHNBSTCVRXTLRI-CQSZACIVSA-N 2 0 239.407 1.530 20 0 BDADRP CC(C)N(CC[NH3+])[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254835278 969799605 /nfs/dbraw/zinc/79/96/05/969799605.db2.gz FXFTXUNUMPKWRI-CYBMUJFWSA-N 2 0 225.380 1.140 20 0 BDADRP [NH3+]Cc1ccc(N[C@@H]2CC3CC[NH+](CC3)C2)cn1 ZINC001254846197 969803491 /nfs/dbraw/zinc/80/34/91/969803491.db2.gz RWDTXEQPRLTTTQ-CQSZACIVSA-N 2 0 246.358 1.437 20 0 BDADRP CN([C@@H]1CC2CC[NH+](CC2)C1)C(C)(C)C[NH3+] ZINC001254847098 969804147 /nfs/dbraw/zinc/80/41/47/969804147.db2.gz DBMLVMLOTMTRBC-GFCCVEGCSA-N 2 0 225.380 1.140 20 0 BDADRP C[C@@H]1CN([C@@H]2CC3CC[NH+](CC3)C2)CC[N@@H+]1C ZINC001254860308 969810006 /nfs/dbraw/zinc/81/00/06/969810006.db2.gz KNYJORMJLOAOOY-TZMCWYRMSA-N 2 0 237.391 1.107 20 0 BDADRP [NH3+]Cc1ccn(-c2ccc3c(c2)C[NH2+]C3)c1 ZINC001169725481 969817378 /nfs/dbraw/zinc/81/73/78/969817378.db2.gz GFXADLREVSNWSZ-UHFFFAOYSA-N 2 0 213.284 1.539 20 0 BDADRP CCC[N@H+](CCC[NH3+])C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001254922874 969821247 /nfs/dbraw/zinc/82/12/47/969821247.db2.gz XCMSSRAECNZVHO-RYUDHWBXSA-N 2 0 238.375 1.805 20 0 BDADRP CC(C)([NH3+])C(C)(C)[NH2+]C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254936341 969827095 /nfs/dbraw/zinc/82/70/95/969827095.db2.gz UHISKUXDQRKTNT-NXEZZACHSA-N 2 0 238.375 1.850 20 0 BDADRP C[NH+](C)CCC(C)(C)Nc1ccnc(C[NH3+])c1 ZINC001169718385 969832297 /nfs/dbraw/zinc/83/22/97/969832297.db2.gz LYCZPWNPRKTWTB-UHFFFAOYSA-N 2 0 236.363 1.683 20 0 BDADRP Cc1ncc2n1CC[N@H+](C1CCSCC1)C2 ZINC001255088919 969924901 /nfs/dbraw/zinc/92/49/01/969924901.db2.gz IMZSYJGPRPGTRA-UHFFFAOYSA-N 2 0 237.372 1.903 20 0 BDADRP C[NH+](C)CCC[N@H+](C)C1CCSCC1 ZINC001255088657 969925820 /nfs/dbraw/zinc/92/58/20/969925820.db2.gz YEOMEUAWHSSCQK-UHFFFAOYSA-N 2 0 216.394 1.766 20 0 BDADRP CC[NH+]1C[C@@H]2C[NH+](C3CCSCC3)C[C@H]2C1 ZINC001255096356 969931124 /nfs/dbraw/zinc/93/11/24/969931124.db2.gz MFVPEIFMLMICRS-VXGBXAGGSA-N 2 0 240.416 1.766 20 0 BDADRP CN1CCC[C@@H]2C[N@@H+](C3CCSCC3)C[C@H]21 ZINC001255094767 969932804 /nfs/dbraw/zinc/93/28/04/969932804.db2.gz KHHZPYNSOPVNQW-DGCLKSJQSA-N 2 0 240.416 1.908 20 0 BDADRP [NH3+]CCCC[NH+]1CCC(Oc2ccncc2)CC1 ZINC001210580485 969956851 /nfs/dbraw/zinc/95/68/51/969956851.db2.gz JJNUNIBWXWXIDL-UHFFFAOYSA-N 2 0 249.358 1.664 20 0 BDADRP C[NH+](C)CCC(C)(C)[NH2+][C@@H]1CCSC1 ZINC001255271790 970011488 /nfs/dbraw/zinc/01/14/88/970011488.db2.gz IOCHGRKVKDSVFG-SNVBAGLBSA-N 2 0 216.394 1.812 20 0 BDADRP CC(C)[N@H+](CCC[NH3+])[C@H]1CCSC1 ZINC001255268467 970015622 /nfs/dbraw/zinc/01/56/22/970015622.db2.gz KJXUJPRSRUPLNK-JTQLQIEISA-N 2 0 202.367 1.551 20 0 BDADRP C[NH2+]CCNc1[nH+]c(C)cc2[nH]ccc21 ZINC001156893729 970024417 /nfs/dbraw/zinc/02/44/17/970024417.db2.gz RAOGTPIOZYRBQA-UHFFFAOYSA-N 2 0 204.277 1.503 20 0 BDADRP Cc1c2[nH+]c[nH]c2ccc1NC[C@@H]1COCC[NH2+]1 ZINC001170042886 970064590 /nfs/dbraw/zinc/06/45/90/970064590.db2.gz FTCBNISEAFYXKL-SNVBAGLBSA-N 2 0 246.314 1.272 20 0 BDADRP C[N@@H+]1CC[C@@H](n2nc(C[NH3+])c3ccccc32)C1 ZINC001255413090 970133931 /nfs/dbraw/zinc/13/39/31/970133931.db2.gz XBEOCEXANNDYEA-SNVBAGLBSA-N 2 0 230.315 1.372 20 0 BDADRP C[N@@H+]1CC[C@H](N(C(N)=[NH2+])c2ccccc2F)C1 ZINC001255415557 970135293 /nfs/dbraw/zinc/13/52/93/970135293.db2.gz KPRMSPWFHYUCRA-VIFPVBQESA-N 2 0 236.294 1.230 20 0 BDADRP C[N@@H+]1CC[C@H](n2cnc3cccc(C[NH3+])c32)C1 ZINC001255419424 970141371 /nfs/dbraw/zinc/14/13/71/970141371.db2.gz HJNBZBNPRCWBFQ-NSHDSACASA-N 2 0 230.315 1.372 20 0 BDADRP C[N@@H+]1CC[C@@H](Nc2cccc(CC[NH3+])c2)C1 ZINC001255419942 970142726 /nfs/dbraw/zinc/14/27/26/970142726.db2.gz JTRPFZXTIXVMLV-CYBMUJFWSA-N 2 0 219.332 1.304 20 0 BDADRP C[N@@H+]1CC[C@H](Nc2cccc(CC[NH3+])c2)C1 ZINC001255419943 970144212 /nfs/dbraw/zinc/14/42/12/970144212.db2.gz JTRPFZXTIXVMLV-ZDUSSCGKSA-N 2 0 219.332 1.304 20 0 BDADRP C[NH2+]Cc1ccc(N[C@H]2CC[N@H+](C)C2)cc1 ZINC001255435044 970161504 /nfs/dbraw/zinc/16/15/04/970161504.db2.gz BEGSZSCKEJFZMU-ZDUSSCGKSA-N 2 0 219.332 1.522 20 0 BDADRP CCCCC[NH+]1CCN([C@@H]2CC[N@H+](C)C2)CC1 ZINC001255437259 970164150 /nfs/dbraw/zinc/16/41/50/970164150.db2.gz ZLQDBLVEHBZZNP-CQSZACIVSA-N 2 0 239.407 1.498 20 0 BDADRP C[C@H]([NH3+])c1nccn1[C@@H]1CCC[N@H+](C)C1 ZINC001255466199 970193929 /nfs/dbraw/zinc/19/39/29/970193929.db2.gz IYDRKRMTTOCQGP-VHSXEESVSA-N 2 0 208.309 1.170 20 0 BDADRP C[N@@H+]1CCC[C@H](N2CC[C@H]([NH3+])c3ccccc32)C1 ZINC001255472331 970202187 /nfs/dbraw/zinc/20/21/87/970202187.db2.gz UGGLZQBWUWDNFR-JSGCOSHPSA-N 2 0 245.370 1.991 20 0 BDADRP CC[NH+](CC)[C@@H]1CCN([C@@H]2CCC[N@H+](C)C2)C1 ZINC001255489836 970240490 /nfs/dbraw/zinc/24/04/90/970240490.db2.gz QPPHAQBPCXCIOF-ZIAGYGMSSA-N 2 0 239.407 1.497 20 0 BDADRP C[N@H+](C1CC1)[C@H]1CCN([C@@H]2CCC[NH+](C)C2)C1 ZINC001255492886 970251999 /nfs/dbraw/zinc/25/19/99/970251999.db2.gz NDOWYYFYJBIYGB-UONOGXRCSA-N 2 0 237.391 1.249 20 0 BDADRP C[N@@H+]1CC[C@]2(CCN([C@H]3CCC[NH+](C)C3)C2)C1 ZINC001255492624 970255428 /nfs/dbraw/zinc/25/54/28/970255428.db2.gz IYUAJWMTJZESDD-KBPBESRZSA-N 2 0 237.391 1.108 20 0 BDADRP C[C@H]1CC[C@@H]([NH2+]CC2CC[NH+](CCO)CC2)C1 ZINC001170100854 970289541 /nfs/dbraw/zinc/28/95/41/970289541.db2.gz MGXIZMBIRMRKNO-GXTWGEPZSA-N 2 0 240.391 1.469 20 0 BDADRP Nc1[nH+]ccn1-c1ccc(C2=CC[NH2+]C2)cc1 ZINC001243111149 970353479 /nfs/dbraw/zinc/35/34/79/970353479.db2.gz GXQAWHXBGBYXOM-UHFFFAOYSA-N 2 0 226.283 1.441 20 0 BDADRP CC(C)([NH3+])c1ccc(C2=CC[NH2+]C2)cc1 ZINC001243112170 970358539 /nfs/dbraw/zinc/35/85/39/970358539.db2.gz VIXCQNWKFQPADN-UHFFFAOYSA-N 2 0 202.301 1.867 20 0 BDADRP COC[C@H](C)[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001255582673 970390429 /nfs/dbraw/zinc/39/04/29/970390429.db2.gz XFQUNXTYKKYCPU-NSHDSACASA-N 2 0 212.337 1.049 20 0 BDADRP C[C@@H](CO)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255671962 970451654 /nfs/dbraw/zinc/45/16/54/970451654.db2.gz SCVCQNCPAGDUEK-RLAWYHOSSA-N 2 0 240.391 1.610 20 0 BDADRP C[NH+]1CCN(C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001255674406 970452154 /nfs/dbraw/zinc/45/21/54/970452154.db2.gz SIIUCMHNGYLTJW-PBWFPOADSA-N 2 0 237.391 1.249 20 0 BDADRP C[C@H](Cc1ccc(F)cc1)[NH2+]CCOCC[NH3+] ZINC001255859307 970528387 /nfs/dbraw/zinc/52/83/87/970528387.db2.gz XHLMBFFNZCEAIZ-LLVKDONJSA-N 2 0 240.322 1.322 20 0 BDADRP Cc1nccc(C[N@H+](C)CC2CC[NH+](C)CC2)n1 ZINC000351400092 970547020 /nfs/dbraw/zinc/54/70/20/970547020.db2.gz RHFHREAPUHOAFG-UHFFFAOYSA-N 2 0 248.374 1.559 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]C1CC(O)C1 ZINC001255941582 970569908 /nfs/dbraw/zinc/56/99/08/970569908.db2.gz UJECYKACHROAJI-UNXYVOJBSA-N 2 0 214.353 1.220 20 0 BDADRP CC[C@H](CO)[NH2+][C@@H](C)CC[NH+](CC)CC ZINC001255939173 970572878 /nfs/dbraw/zinc/57/28/78/970572878.db2.gz CTCUPHYNNVVIJQ-NWDGAFQWSA-N 2 0 216.369 1.467 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N(CC[NH3+])C(C)C ZINC001255943874 970578156 /nfs/dbraw/zinc/57/81/56/970578156.db2.gz QKAIFEGNAIPOKH-ZDUSSCGKSA-N 2 0 229.412 1.776 20 0 BDADRP CCOC[C@@H](C)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000400332460 970578574 /nfs/dbraw/zinc/57/85/74/970578574.db2.gz GHUUUPMIXPAWAP-GHMZBOCLSA-N 2 0 214.353 1.389 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[N@H+](C)CCOC ZINC001255954940 970591045 /nfs/dbraw/zinc/59/10/45/970591045.db2.gz LHYXPXWTFIOWGM-GFCCVEGCSA-N 2 0 216.369 1.685 20 0 BDADRP FC(F)(F)[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000304455873 970596459 /nfs/dbraw/zinc/59/64/59/970596459.db2.gz WXVVQMJOKWLPBM-SNVBAGLBSA-N 2 0 236.281 1.870 20 0 BDADRP CSCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400634344 970601904 /nfs/dbraw/zinc/60/19/04/970601904.db2.gz MKOBGKNOAKEIGD-DCAQKATOSA-N 2 0 216.394 1.858 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCO[C@H](C)C1)C1CC[NH2+]CC1 ZINC000400668389 970616875 /nfs/dbraw/zinc/61/68/75/970616875.db2.gz RKFXUOIUTQSEEA-WZRBSPASSA-N 2 0 226.364 1.532 20 0 BDADRP COC(=O)[C@@H]1CCC[C@H]([NH2+]CCCC[NH3+])C1 ZINC000304625850 970622873 /nfs/dbraw/zinc/62/28/73/970622873.db2.gz PXEGVUCLVUHOTG-MNOVXSKESA-N 2 0 228.336 1.047 20 0 BDADRP [NH3+]CCc1nccn1C1CC[NH+](C2CC2)CC1 ZINC001256067500 970631117 /nfs/dbraw/zinc/63/11/17/970631117.db2.gz SHPYKBXAPDEGDC-UHFFFAOYSA-N 2 0 234.347 1.184 20 0 BDADRP COC(C)(C[NH2+]C1CCN(C2CC2)CC1)OC ZINC001256069881 970634445 /nfs/dbraw/zinc/63/44/45/970634445.db2.gz PCEFHVUFOLJPCZ-UHFFFAOYSA-N 2 0 242.363 1.212 20 0 BDADRP C[N@@H+]1CCCN(C2CC[NH+](C3CC3)CC2)CC1 ZINC001256073825 970639244 /nfs/dbraw/zinc/63/92/44/970639244.db2.gz ZWGYYMMPZZZCPG-UHFFFAOYSA-N 2 0 237.391 1.251 20 0 BDADRP c1cc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000400996895 970655558 /nfs/dbraw/zinc/65/55/58/970655558.db2.gz CGGMQNWRFPZPEE-RBSFLKMASA-N 2 0 245.370 1.602 20 0 BDADRP C[C@@H](Cc1ccccc1Cl)[NH2+]C[C@H](O)C[NH3+] ZINC001170248195 970656412 /nfs/dbraw/zinc/65/64/12/970656412.db2.gz NEXYSMHLRTXGFU-GXSJLCMTSA-N 2 0 242.750 1.180 20 0 BDADRP Cc1cc2cc[nH]c2c(NCC2C[NH+](C)C2)[nH+]1 ZINC001170252048 970661826 /nfs/dbraw/zinc/66/18/26/970661826.db2.gz GMWNLHATJSBGES-UHFFFAOYSA-N 2 0 230.315 1.845 20 0 BDADRP C[NH+]1CCC(n2ncc3c2cccc3C[NH3+])CC1 ZINC001256196421 970690273 /nfs/dbraw/zinc/69/02/73/970690273.db2.gz JNIYDEKDVWSAIC-UHFFFAOYSA-N 2 0 244.342 1.762 20 0 BDADRP COc1ccc(NC2CC[NH+](C)CC2)cc1C[NH3+] ZINC001256201461 970696218 /nfs/dbraw/zinc/69/62/18/970696218.db2.gz KKWHLADXUQSEBY-UHFFFAOYSA-N 2 0 249.358 1.660 20 0 BDADRP C[NH+]1CCC(NC(C)(C)C(C)(C)[NH3+])CC1 ZINC001256199543 970696910 /nfs/dbraw/zinc/69/69/10/970696910.db2.gz DSESWOIYQKKIIR-UHFFFAOYSA-N 2 0 213.369 1.186 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CO[C@H](C)C2)C1 ZINC000401867995 970742112 /nfs/dbraw/zinc/74/21/12/970742112.db2.gz AEFOSSZTUWHUGF-AGIUHOORSA-N 2 0 226.364 1.484 20 0 BDADRP [NH3+]CC1(F)CC[NH+](CCCn2cccn2)CC1 ZINC001222528622 972549512 /nfs/dbraw/zinc/54/95/12/972549512.db2.gz YSVYRBSSEZDZON-UHFFFAOYSA-N 2 0 240.326 1.036 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH+]2CCC(F)(C[NH3+])CC2)C1 ZINC001222528594 972550074 /nfs/dbraw/zinc/55/00/74/972550074.db2.gz XRSLGYYVXXYWBM-LBPRGKRZSA-N 3 0 243.370 1.091 20 0 BDADRP Cc1cncc(C[NH+]2CCC(F)(C[NH3+])CC2)n1 ZINC001222532557 972551828 /nfs/dbraw/zinc/55/18/28/972551828.db2.gz NFCYMKKBEPXVSM-UHFFFAOYSA-N 2 0 238.310 1.048 20 0 BDADRP [NH3+]CC1(F)CC[NH+](Cc2ccncc2O)CC1 ZINC001222538902 972552609 /nfs/dbraw/zinc/55/26/09/972552609.db2.gz QQDQRZUIJDQUEL-UHFFFAOYSA-N 2 0 239.294 1.050 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(F)c(OC)c1 ZINC001327415724 972572690 /nfs/dbraw/zinc/57/26/90/972572690.db2.gz MNSZLGUHHVQHFX-JTQLQIEISA-N 2 0 240.322 1.779 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N2CCCC[C@@H]2C[NH3+])CC[NH2+]1 ZINC001246543133 972588987 /nfs/dbraw/zinc/58/89/87/972588987.db2.gz RWPIFWIKTXZZPR-MJBXVCDLSA-N 2 0 239.407 1.576 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2CCCC[C@@H]2C[NH3+])CC[NH2+]1 ZINC001246543132 972590486 /nfs/dbraw/zinc/59/04/86/972590486.db2.gz RWPIFWIKTXZZPR-MCIONIFRSA-N 2 0 239.407 1.576 20 0 BDADRP C[C@@H]1CC[C@H](N2CCCC[C@@](C)(O)C2)C[NH2+]1 ZINC001246545687 972651448 /nfs/dbraw/zinc/65/14/48/972651448.db2.gz CILHGTSPYLHCDM-FRRDWIJNSA-N 2 0 226.364 1.364 20 0 BDADRP [NH3+][C@@H]1CCC[N@@H+](C2CCC3(C[NH2+]C3)CC2)CC1 ZINC001246548091 972682376 /nfs/dbraw/zinc/68/23/76/972682376.db2.gz QPGUQTIHCMLDCA-GFCCVEGCSA-N 3 0 237.391 1.332 20 0 BDADRP CC(C)[C@H]1C[C@@H](N2CC[C@@H]([NH3+])[C@H]2C)CC[NH2+]1 ZINC001246551711 972729843 /nfs/dbraw/zinc/72/98/43/972729843.db2.gz UQUKCQUWHKIQII-YVECIDJPSA-N 2 0 225.380 1.185 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H](C)[C@@](C)(O)CC2)CC[NH2+]1 ZINC001246552785 972739639 /nfs/dbraw/zinc/73/96/39/972739639.db2.gz VEVBGGIMLQNCJZ-SYQHCUMBSA-N 2 0 240.391 1.610 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@@H](COC)C(C)C ZINC001327840657 972753276 /nfs/dbraw/zinc/75/32/76/972753276.db2.gz RGDGBMPVSNYLKY-MNOVXSKESA-N 2 0 202.342 1.245 20 0 BDADRP C[C@@H]1CC[C@H](C[NH3+])N([C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246555013 972754956 /nfs/dbraw/zinc/75/49/56/972754956.db2.gz FXCPZYOEWHNMNS-XQHKEYJVSA-N 2 0 225.380 1.186 20 0 BDADRP C[C@@H]1C[C@H](N2CCC[C@@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246556109 972762567 /nfs/dbraw/zinc/76/25/67/972762567.db2.gz YKIHAHFHOBAKJM-JHJVBQTASA-N 2 0 225.380 1.330 20 0 BDADRP [NH3+]C[C@H]1C[N@@H+]([C@@H]2CCSC2)CCC1(F)F ZINC001246559955 972788124 /nfs/dbraw/zinc/78/81/24/972788124.db2.gz OIKCSATXQAZZKT-DTWKUNHWSA-N 2 0 236.331 1.408 20 0 BDADRP C[C@@H]1CC[N@@H+]([C@@H]2CC[NH2+][C@@H](C)C2)C[C@]1(C)O ZINC001246566047 972805913 /nfs/dbraw/zinc/80/59/13/972805913.db2.gz RJPDQIQJFHSFCG-XQHKEYJVSA-N 2 0 226.364 1.220 20 0 BDADRP CC(C)[C@H]1C[C@H](N2CC[C@@H](C)[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246566754 972815191 /nfs/dbraw/zinc/81/51/91/972815191.db2.gz IMXOAWOXLUTLCW-YIYPIFLZSA-N 2 0 239.407 1.432 20 0 BDADRP C[C@@H]1CCN([C@@H]2CC[NH2+]C(C)(C)C2)C[C@@H]1[NH3+] ZINC001246569292 972825740 /nfs/dbraw/zinc/82/57/40/972825740.db2.gz OSYQKVXHIMBFQN-UTUOFQBUSA-N 2 0 225.380 1.186 20 0 BDADRP CC[C@H]1C[C@@H](N2CC[C@@H](C)[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246569993 972829390 /nfs/dbraw/zinc/82/93/90/972829390.db2.gz RHPJCLIALZZSHY-VOAKCMCISA-N 2 0 225.380 1.186 20 0 BDADRP CC[C@@H]1C[C@@H](N2CC[NH2+][C@H](C)C2)C[C@H](CC)[NH2+]1 ZINC001246573245 972863425 /nfs/dbraw/zinc/86/34/25/972863425.db2.gz IIVSRQIDSBOQER-YIYPIFLZSA-N 2 0 239.407 1.589 20 0 BDADRP CC(C)[NH+]1CCC(N2C[C@H](F)C[C@H]([NH3+])C2)CC1 ZINC001246577063 972886750 /nfs/dbraw/zinc/88/67/50/972886750.db2.gz QJEODMRZJCCZCU-NEPJUHHUSA-N 2 0 243.370 1.230 20 0 BDADRP C[C@@H]1C[N@@H+]([C@H]2CCC[C@]3(CC[NH2+]C3)C2)CCN1 ZINC001246578481 972898883 /nfs/dbraw/zinc/89/88/83/972898883.db2.gz VKLPDSQLYVPGLA-RDBSUJKOSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@@H]1C[C@H](N2CCCC[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC001246580421 972922230 /nfs/dbraw/zinc/92/22/30/972922230.db2.gz GNZKRAHJJXCWBR-FRRDWIJNSA-N 2 0 225.380 1.188 20 0 BDADRP C[NH2+]CC[C@@H](C)N1CCCC[C@H](C[NH3+])C1 ZINC001246582942 972951157 /nfs/dbraw/zinc/95/11/57/972951157.db2.gz PILGMMDKILXTTP-VXGBXAGGSA-N 2 0 213.369 1.045 20 0 BDADRP CSC(C)(C)C[C@H](C)[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246585732 972963934 /nfs/dbraw/zinc/96/39/34/972963934.db2.gz QFNCUKLFWVLWIJ-DCAQKATOSA-N 2 0 246.420 1.158 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@](C)(O)[C@@H](C)C2)CC[NH2+]1 ZINC001246591698 972996377 /nfs/dbraw/zinc/99/63/77/972996377.db2.gz NNZMVYXBJYZYJS-REWJHTLYSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@H]1C[N@@H+](C2CC[NH2+]CC2)CCC[C@@]1(C)O ZINC001246590318 972998885 /nfs/dbraw/zinc/99/88/85/972998885.db2.gz JCRLEPLEGDCBOX-WCQYABFASA-N 2 0 226.364 1.221 20 0 BDADRP CC[C@H]1CC(N2CC(C[NH2+]C)C2)C[C@H](CC)[NH2+]1 ZINC001246594872 973007784 /nfs/dbraw/zinc/00/77/84/973007784.db2.gz FMBBIEIERLNMNG-STQMWFEESA-N 2 0 239.407 1.447 20 0 BDADRP C1C[C@@H]2[C@H](CC[N@@H+]2[C@H]2CCC3(C2)CC[NH2+]CC3)[NH2+]1 ZINC001246634990 973048248 /nfs/dbraw/zinc/04/82/48/973048248.db2.gz PNAYXLPNNQXTLN-MELADBBJSA-N 3 0 249.402 1.345 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N2CC[C@H]3C[C@@]3([NH3+])C2)CC[NH2+]1 ZINC001246657645 973071918 /nfs/dbraw/zinc/07/19/18/973071918.db2.gz OZNCQPDOGVOLLY-XDQVBPFNSA-N 2 0 237.391 1.186 20 0 BDADRP C[C@@H]1C[C@@H](C)C[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246836713 973131026 /nfs/dbraw/zinc/13/10/26/973131026.db2.gz BOHHDCDWFWTLDL-JHJVBQTASA-N 2 0 237.391 1.058 20 0 BDADRP Cc1nc2c(n1[C@H]1CC[C@@H](C)[NH2+]C1)C[NH2+]CC2 ZINC001246859529 973165409 /nfs/dbraw/zinc/16/54/09/973165409.db2.gz GABYITICOHNROF-KOLCDFICSA-N 2 0 234.347 1.150 20 0 BDADRP C[NH2+]C[C@@H]1CCN([C@H]2CC[NH2+][C@@H](C(C)C)C2)C1 ZINC001246863750 973191860 /nfs/dbraw/zinc/19/18/60/973191860.db2.gz LXSGXFWWTQZCIM-MELADBBJSA-N 2 0 239.407 1.304 20 0 BDADRP [NH3+]C/C=C/CNc1nccc(N2CCCCC2)n1 ZINC001160983015 973221175 /nfs/dbraw/zinc/22/11/75/973221175.db2.gz OHQKXHHDXQWNDJ-NSCUHMNNSA-N 2 0 247.346 1.394 20 0 BDADRP C[C@@H]1C[C@@H](n2cncc2C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246866985 973226897 /nfs/dbraw/zinc/22/68/97/973226897.db2.gz LPYGZTLPUXUOJJ-YPMHNXCESA-N 2 0 248.374 1.663 20 0 BDADRP C[NH2+][C@@H](C)CC[NH2+]Cc1ccc2c(c1)nnn2C ZINC001328677753 973261719 /nfs/dbraw/zinc/26/17/19/973261719.db2.gz UPYIVTKQRCFRCG-JTQLQIEISA-N 2 0 247.346 1.056 20 0 BDADRP C[C@@H]1CC(N2C[C@H](C)[NH2+]C[C@@H]2C)C[C@@H](C)[NH2+]1 ZINC001246875432 973297667 /nfs/dbraw/zinc/29/76/67/973297667.db2.gz VRSICDZLVDGJLJ-WYUUTHIRSA-N 2 0 225.380 1.198 20 0 BDADRP C[C@@H]1CC[C@@H](N(C)C2(C)CC[NH2+]CC2)C[NH2+]1 ZINC001246911056 973428389 /nfs/dbraw/zinc/42/83/89/973428389.db2.gz PBTCLOBKNALYEC-VXGBXAGGSA-N 2 0 225.380 1.201 20 0 BDADRP CC(C)[NH2+][C@H](C)[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001329110504 973472128 /nfs/dbraw/zinc/47/21/28/973472128.db2.gz PCHIJASEJOETFY-VXGBXAGGSA-N 2 0 243.395 1.219 20 0 BDADRP Cc1cc(CNC[C@H]2CCCC[N@@H+](C)C2)[nH]n1 ZINC001329172608 973532922 /nfs/dbraw/zinc/53/29/22/973532922.db2.gz IWIWWGQCPICLDC-GFCCVEGCSA-N 2 0 236.363 1.540 20 0 BDADRP O[C@H](C[NH2+][C@H]1C=CCCC1)C[NH+]1CCCC1 ZINC001329223766 973574760 /nfs/dbraw/zinc/57/47/60/973574760.db2.gz UZIIJZPUFVDBHI-QWHCGFSZSA-N 2 0 224.348 1.141 20 0 BDADRP C[NH+]1CCC(CO[C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001224451281 973656554 /nfs/dbraw/zinc/65/65/54/973656554.db2.gz UMLSOBAARICGIX-CQSZACIVSA-N 2 0 240.391 1.829 20 0 BDADRP CC[C@H](N)C[N@H+](C)[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246973192 973708421 /nfs/dbraw/zinc/70/84/21/973708421.db2.gz IFFGHHZYOVEZFY-BFHYXJOUSA-N 2 0 239.407 1.578 20 0 BDADRP CC(C)[C@H]1C[C@H](N2CC[NH2+]CC[C@H]2C)CC[NH2+]1 ZINC001246982006 973750631 /nfs/dbraw/zinc/75/06/31/973750631.db2.gz AJTANPLYLPLSAV-MGPQQGTHSA-N 2 0 239.407 1.447 20 0 BDADRP CO[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC[C@@H]1C ZINC000234843023 973775583 /nfs/dbraw/zinc/77/55/83/973775583.db2.gz BLCNNEUYHAWRPF-IGQOVBAYSA-N 2 0 240.391 1.731 20 0 BDADRP C1[NH2+]C[C@H]2C[C@H](N3CC[C@H]4[NH2+]CCC[C@@H]4C3)C[C@@H]12 ZINC001247011795 973797154 /nfs/dbraw/zinc/79/71/54/973797154.db2.gz BTEMSCLBTGCBAM-NIFZNCRKSA-N 2 0 249.402 1.058 20 0 BDADRP [NH3+]CCCCCCNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC001329519795 973808758 /nfs/dbraw/zinc/80/87/58/973808758.db2.gz HKOKAGHDFRBIGS-LBPRGKRZSA-N 2 0 241.379 1.154 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](OC[C@H]2CCCC[NH+]2C)C1 ZINC001224700829 973866101 /nfs/dbraw/zinc/86/61/01/973866101.db2.gz BDPOERWZIGTRHR-ZIAGYGMSSA-N 2 0 240.391 1.970 20 0 BDADRP CC[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000045134682 973868235 /nfs/dbraw/zinc/86/82/35/973868235.db2.gz UGDATQOANOVCAS-RYUDHWBXSA-N 2 0 214.353 1.077 20 0 BDADRP C[N@@H+]1CCC[C@@H](OCCC[NH+]2CCCC2)CC1 ZINC001224743495 973903284 /nfs/dbraw/zinc/90/32/84/973903284.db2.gz ATYGFBYGVKQBDE-CQSZACIVSA-N 2 0 240.391 1.973 20 0 BDADRP C[N@@H+]1CCC[C@H]1COC1CC[NH+](CCF)CC1 ZINC001224817572 974000008 /nfs/dbraw/zinc/00/00/08/974000008.db2.gz UHKVYUOEDRSZPH-LBPRGKRZSA-N 2 0 244.354 1.531 20 0 BDADRP [NH3+]Cc1nccnc1Nc1[nH+]ccc2c1CCN2 ZINC001171441280 974065473 /nfs/dbraw/zinc/06/54/73/974065473.db2.gz NXOVLCYPPVEOQP-UHFFFAOYSA-N 2 0 242.286 1.042 20 0 BDADRP COc1cc[nH+]c(NCC[C@H]2CCC[NH2+]2)c1 ZINC000257647498 974090067 /nfs/dbraw/zinc/09/00/67/974090067.db2.gz IZYSIVBDFHESMB-SNVBAGLBSA-N 2 0 221.304 1.644 20 0 BDADRP COCC[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171619192 974112038 /nfs/dbraw/zinc/11/20/38/974112038.db2.gz ZCQRENMUKFVNNA-UHFFFAOYSA-N 2 0 228.380 1.874 20 0 BDADRP C[NH+](C)CCCCO[C@H]1C[NH+]2CCC1CC2 ZINC001224991641 974122655 /nfs/dbraw/zinc/12/26/55/974122655.db2.gz XXSVLPBPRDZILS-ZDUSSCGKSA-N 2 0 226.364 1.439 20 0 BDADRP [NH3+]C1CC([NH2+][C@@H]2Cc3cccc(F)c3C2)C1 ZINC001171783355 974169256 /nfs/dbraw/zinc/16/92/56/974169256.db2.gz PGUPAORHACQCJN-HSOILSAZSA-N 2 0 220.291 1.372 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H]1Cc2cccc(F)c2C1 ZINC001171783039 974171776 /nfs/dbraw/zinc/17/17/76/974171776.db2.gz IRWZGSMIHVUEMT-MWLCHTKSSA-N 2 0 222.307 1.477 20 0 BDADRP N[C@H]1CC[N@H+](CC2CCOCC2)CC[C@H]1F ZINC001206156757 974330018 /nfs/dbraw/zinc/33/00/18/974330018.db2.gz SPDJDMWADWFCED-NEPJUHHUSA-N 2 0 230.327 1.174 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCCCO)C2 ZINC001172099793 974345901 /nfs/dbraw/zinc/34/59/01/974345901.db2.gz KJYHRVPHAZIPOX-CLLJXQQHSA-N 2 0 226.364 1.364 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCCCO)C2 ZINC001172099794 974347294 /nfs/dbraw/zinc/34/72/94/974347294.db2.gz KJYHRVPHAZIPOX-XYYAHUGASA-N 2 0 226.364 1.364 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](n1ccc(C[NH3+])n1)C2 ZINC001172103683 974366077 /nfs/dbraw/zinc/36/60/77/974366077.db2.gz WUAYQIMGDBPNJL-CLLJXQQHSA-N 2 0 234.347 1.530 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@H]1CCOC1)C2 ZINC001172105401 974367568 /nfs/dbraw/zinc/36/75/68/974367568.db2.gz ICEJZIUWLYKGDN-SYQHCUMBSA-N 2 0 238.375 1.628 20 0 BDADRP N[C@@H]1CC[N@H+](CCC23CC([NH3+])(C2)C3)CC[C@@H]1F ZINC001206157177 974371237 /nfs/dbraw/zinc/37/12/37/974371237.db2.gz XATFJFVOZTXADS-ZFDZMSFRSA-N 2 0 241.354 1.019 20 0 BDADRP CC1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172109510 974372064 /nfs/dbraw/zinc/37/20/64/974372064.db2.gz DMIYCQHRYFJSAU-ITGUQSILSA-N 2 0 208.349 1.953 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC=CC1)C2 ZINC001172114715 974382561 /nfs/dbraw/zinc/38/25/61/974382561.db2.gz SLQMFSXQHFXLRR-CLLJXQQHSA-N 2 0 206.333 1.874 20 0 BDADRP Cc1nnc(C[NH3+])n1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172114359 974385318 /nfs/dbraw/zinc/38/53/18/974385318.db2.gz QZCVWSLXYGDZTL-ZSBIGDGJSA-N 2 0 249.362 1.233 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172219710 974448756 /nfs/dbraw/zinc/44/87/56/974448756.db2.gz LIQQJSMWEZVUCM-RLAWYHOSSA-N 2 0 238.375 1.770 20 0 BDADRP CC[NH+]1C[C@@H]2C[NH+]([C@@H]3COC(C)(C)C3)C[C@H]2C1 ZINC001172294562 974563227 /nfs/dbraw/zinc/56/32/27/974563227.db2.gz MXQQOZUIEVDWNN-UPJWGTAASA-N 2 0 238.375 1.437 20 0 BDADRP CC[NH+]1C[C@@H]2C[NH+]([C@H]3COC(C)(C)C3)C[C@H]2C1 ZINC001172294561 974564320 /nfs/dbraw/zinc/56/43/20/974564320.db2.gz MXQQOZUIEVDWNN-JHJVBQTASA-N 2 0 238.375 1.437 20 0 BDADRP C[C@@H]1CC[C@@H](NC(=[NH2+])NCCCC[NH3+])C[C@H]1C ZINC001172360773 974633979 /nfs/dbraw/zinc/63/39/79/974633979.db2.gz XBCBNVZIVLTXMR-IJLUTSLNSA-N 2 0 240.395 1.664 20 0 BDADRP CCOCC[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001172410970 974675355 /nfs/dbraw/zinc/67/53/55/974675355.db2.gz MPRKSEMGIMEZJO-QWHCGFSZSA-N 2 0 228.380 1.875 20 0 BDADRP CCOCC[C@@H](C)[N@H+](C)CCC[NH+](C)C ZINC001172424083 974699425 /nfs/dbraw/zinc/69/94/25/974699425.db2.gz PDOBKBSRFXYBOA-GFCCVEGCSA-N 2 0 216.369 1.685 20 0 BDADRP CC[C@H](CC(C)C)[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC001172389675 974738380 /nfs/dbraw/zinc/73/83/80/974738380.db2.gz PSHQNAFSUBBKEL-VXGBXAGGSA-N 2 0 214.353 1.471 20 0 BDADRP CC(C)OCC[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC001172439975 974796311 /nfs/dbraw/zinc/79/63/11/974796311.db2.gz HSEBQPMIKOVVFE-GRYCIOLGSA-N 2 0 214.353 1.659 20 0 BDADRP CC(C)COCC[C@H](C)[NH2+][C@@H]1C[C@H]1N ZINC001172458653 974823709 /nfs/dbraw/zinc/82/37/09/974823709.db2.gz FVKYSCVYVRNZJT-HBNTYKKESA-N 2 0 200.326 1.127 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC001331835291 974829485 /nfs/dbraw/zinc/82/94/85/974829485.db2.gz QIAAZQZTPFYPFG-GRYCIOLGSA-N 2 0 214.353 1.389 20 0 BDADRP C[N@@H+]1CC[C@H](Oc2cc(N)nc3ccccc32)C1 ZINC001226415897 974888929 /nfs/dbraw/zinc/88/89/29/974888929.db2.gz ASFWEIGTYWDZSS-JTQLQIEISA-N 2 0 243.310 1.900 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@@H]([NH3+])CC(F)F ZINC001331980976 974900795 /nfs/dbraw/zinc/90/07/95/974900795.db2.gz LZYOKIDXJXQTGI-GUBZILKMSA-N 2 0 235.322 1.076 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@H]([NH3+])CC(F)F ZINC001331980969 974903810 /nfs/dbraw/zinc/90/38/10/974903810.db2.gz LZYOKIDXJXQTGI-AEJSXWLSSA-N 2 0 235.322 1.076 20 0 BDADRP COC(=O)[C@@H]1CCC[C@@H]([NH2+]C2CC([NH3+])C2)CC1 ZINC001172778092 974939649 /nfs/dbraw/zinc/93/96/49/974939649.db2.gz STWWPJPVHXQLQY-QTAHKJALSA-N 2 0 240.347 1.188 20 0 BDADRP COC(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)C[NH3+])CC1 ZINC001172802956 974956432 /nfs/dbraw/zinc/95/64/32/974956432.db2.gz ZHSSUKQEYQEBAF-IJLUTSLNSA-N 2 0 242.363 1.293 20 0 BDADRP CC[N@@H+]1CCC[C@@H](Oc2cc[nH+]c(N)c2)C1 ZINC001226654290 975004164 /nfs/dbraw/zinc/00/41/64/975004164.db2.gz XSMUGMDTOUJHMI-LLVKDONJSA-N 2 0 221.304 1.527 20 0 BDADRP O[C@@H]1CCC[C@@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC001332403337 975095347 /nfs/dbraw/zinc/09/53/47/975095347.db2.gz VKSFLSYQJPQWSQ-UPJWGTAASA-N 2 0 238.375 1.412 20 0 BDADRP CC[C@H]1CC[C@@H](NC(=[NH2+])SCC[NH3+])C1 ZINC001173267584 975133172 /nfs/dbraw/zinc/13/31/72/975133172.db2.gz SUKSOYWQWYVBJO-DTWKUNHWSA-N 2 0 215.366 1.781 20 0 BDADRP Cc1[nH]c2ccc(NC[C@@H]3COCC[NH2+]3)cc2[nH+]1 ZINC000258943371 975278247 /nfs/dbraw/zinc/27/82/47/975278247.db2.gz PXCAKRIZCIXJOX-LLVKDONJSA-N 2 0 246.314 1.272 20 0 BDADRP CCN1CC[C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)C1 ZINC001173349581 975293398 /nfs/dbraw/zinc/29/33/98/975293398.db2.gz IODDHLKLXMVVHU-KGLIPLIRSA-N 2 0 239.407 1.402 20 0 BDADRP CC[N@@H+]1CC[C@@H](N(CCC[NH3+])C(C)C)C1 ZINC001173350623 975294878 /nfs/dbraw/zinc/29/48/78/975294878.db2.gz QYQLRHZDKDPXSC-GFCCVEGCSA-N 2 0 213.369 1.140 20 0 BDADRP CC[N@@H+]1CC[C@H](Nc2ccc(CC[NH3+])cc2)C1 ZINC001173351669 975299388 /nfs/dbraw/zinc/29/93/88/975299388.db2.gz WHHXBUIQFINPEV-AWEZNQCLSA-N 2 0 233.359 1.694 20 0 BDADRP CC[N@@H+]1CC[C@@H](n2c(C)nc3c2CC[NH2+]CC3)C1 ZINC001173364175 975340858 /nfs/dbraw/zinc/34/08/58/975340858.db2.gz PWVBZMXBCSQDCU-GFCCVEGCSA-N 2 0 248.374 1.146 20 0 BDADRP CCC[NH+]1CCN([C@H]2CC[N@H+](CC)C2)CC1 ZINC001173366103 975345942 /nfs/dbraw/zinc/34/59/42/975345942.db2.gz WLKQDKNCVWPJFU-ZDUSSCGKSA-N 2 0 225.380 1.108 20 0 BDADRP CC[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)[C@@H](C)C2)C1 ZINC001173375250 975363058 /nfs/dbraw/zinc/36/30/58/975363058.db2.gz SBGWHYAAAZAXLF-UONOGXRCSA-N 2 0 239.407 1.495 20 0 BDADRP COC(=O)CCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC001173448737 975389543 /nfs/dbraw/zinc/38/95/43/975389543.db2.gz MXNZGTNKOXBRCX-SDDRHHMPSA-N 2 0 242.363 1.578 20 0 BDADRP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3ccon3)C[C@H]2C1 ZINC001333891623 976146600 /nfs/dbraw/zinc/14/66/00/976146600.db2.gz MIIIYJYMBBJDKT-OUCADQQQSA-N 2 0 249.358 1.837 20 0 BDADRP C[NH2+][C@H](C)CCN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC001334389904 976488621 /nfs/dbraw/zinc/48/86/21/976488621.db2.gz KDNGHAVREMRAMG-FVCCEPFGSA-N 2 0 239.407 1.351 20 0 BDADRP C[NH2+][C@@H](C)CCN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC001334389909 976488678 /nfs/dbraw/zinc/48/86/78/976488678.db2.gz KDNGHAVREMRAMG-QNWHQSFQSA-N 2 0 239.407 1.351 20 0 BDADRP CC1(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)OCCO1 ZINC001334391651 976488709 /nfs/dbraw/zinc/48/87/09/976488709.db2.gz WZKLARCMLBETRZ-MNOVXSKESA-N 2 0 242.363 1.245 20 0 BDADRP OCC12CCC(CC1)[N@@H+]2C[C@H]1CCCC[NH2+]C1 ZINC001334739812 976610705 /nfs/dbraw/zinc/61/07/05/976610705.db2.gz YRJVFFFODHGPRJ-HSBZDZAISA-N 2 0 238.375 1.365 20 0 BDADRP [NH3+]CCCC[NH2+][C@H]1CCc2ncsc2C1 ZINC000147856136 976951704 /nfs/dbraw/zinc/95/17/04/976951704.db2.gz CUMONMVXZADRHF-VIFPVBQESA-N 2 0 225.361 1.329 20 0 BDADRP C[C@H]([NH3+])CN1CC[C@@H](Cc2nccs2)C1 ZINC001336277062 977613962 /nfs/dbraw/zinc/61/39/62/977613962.db2.gz OFGOWAIYPGMUJZ-UWVGGRQHSA-N 2 0 225.361 1.355 20 0 BDADRP C[C@H]([NH3+])CN1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC001336278558 977615519 /nfs/dbraw/zinc/61/55/19/977615519.db2.gz WBFUOEUHMUTGMW-NWDGAFQWSA-N 2 0 225.380 1.317 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCc3cccc(F)c3C2)C1 ZINC001336285864 977615572 /nfs/dbraw/zinc/61/55/72/977615572.db2.gz NGVWEIAHAIWGJZ-KLPPZKSPSA-N 2 0 234.318 1.921 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2ccc(F)cc2F)C1 ZINC001336326893 977631750 /nfs/dbraw/zinc/63/17/50/977631750.db2.gz YQSMLHXLIQHBDT-XYPYZODXSA-N 2 0 226.270 1.587 20 0 BDADRP c1c(C[NH+]2CC(C3COC3)C2)[nH]c2cc[nH+]cc12 ZINC001232010856 977838998 /nfs/dbraw/zinc/83/89/98/977838998.db2.gz FBFKEABRKWWGMO-UHFFFAOYSA-N 2 0 243.310 1.641 20 0 BDADRP O[C@H]1CCCC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232011992 977840968 /nfs/dbraw/zinc/84/09/68/977840968.db2.gz RVBWBWHPBVGMCX-ZDUSSCGKSA-N 2 0 245.326 1.910 20 0 BDADRP OC[C@H]1CCC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232011140 977841348 /nfs/dbraw/zinc/84/13/48/977841348.db2.gz HKSYBEVSKSQGRG-NSHDSACASA-N 2 0 245.326 1.767 20 0 BDADRP C[NH+]1CC2(CN(Cc3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001232018037 977845982 /nfs/dbraw/zinc/84/59/82/977845982.db2.gz DRDPIUJDGDYGDF-UHFFFAOYSA-N 2 0 242.326 1.310 20 0 BDADRP Cc1cc(Nc2cc[nH+]c(CO)c2)cc(C)[nH+]1 ZINC001176054626 977904575 /nfs/dbraw/zinc/90/45/75/977904575.db2.gz JLSZVORTKYTRTQ-UHFFFAOYSA-N 2 0 229.283 1.751 20 0 BDADRP C[C@@]1(C[NH3+])CCCN(C[C@H]2CCCC[NH2+]2)CC1 ZINC001206296477 978303686 /nfs/dbraw/zinc/30/36/86/978303686.db2.gz SWJNGXGRXBYPMV-ZIAGYGMSSA-N 2 0 239.407 1.579 20 0 BDADRP Cn1ccc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)n1 ZINC001206304718 978374196 /nfs/dbraw/zinc/37/41/96/978374196.db2.gz ONTIVAZPQGLWHX-ZDUSSCGKSA-N 2 0 236.363 1.371 20 0 BDADRP c1cc(NC2CC[NH+](C3CCC3)CC2)cc[nH+]1 ZINC001337707461 978466604 /nfs/dbraw/zinc/46/66/04/978466604.db2.gz NIADPXWQXOXYKC-UHFFFAOYSA-N 2 0 231.343 1.932 20 0 BDADRP C[NH+](C)C[C@@H]1CCN(c2cc[nH+]cc2)C1 ZINC001337707739 978466949 /nfs/dbraw/zinc/46/69/49/978466949.db2.gz PYEUQPJWSWHNPA-NSHDSACASA-N 2 0 205.305 1.470 20 0 BDADRP CC[C@@H](CNc1cc[nH+]cc1)[NH+]1CCCC1 ZINC001337726390 978473777 /nfs/dbraw/zinc/47/37/77/978473777.db2.gz HRDLMGZBEVPVSX-ZDUSSCGKSA-N 2 0 219.332 1.790 20 0 BDADRP CC[N@H+](CCNc1cc[nH+]c(CO)c1)C1CC1 ZINC001337837470 978520407 /nfs/dbraw/zinc/52/04/07/978520407.db2.gz QUPHHBXLLQKIRY-UHFFFAOYSA-N 2 0 235.331 1.470 20 0 BDADRP CC(C)[NH+]1CCC2(CN(CC[NH+](C)C)C2)CC1 ZINC001277799508 978670575 /nfs/dbraw/zinc/67/05/75/978670575.db2.gz VTDABWICHDRBGT-UHFFFAOYSA-N 2 0 239.407 1.354 20 0 BDADRP CC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001277806606 978692950 /nfs/dbraw/zinc/69/29/50/978692950.db2.gz GNKXHVFKUXDFMI-MELADBBJSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H](O)[C@@H](C)[NH2+]CCN1CCCC1(C)C ZINC001338522081 978703335 /nfs/dbraw/zinc/70/33/35/978703335.db2.gz SJUFGNIKEZVGOS-GHMZBOCLSA-N 2 0 214.353 1.220 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+](C)C2)C1 ZINC000069847488 978763377 /nfs/dbraw/zinc/76/33/77/978763377.db2.gz AWEOPCHGEZVPTK-XQQFMLRXSA-N 2 0 226.364 1.485 20 0 BDADRP [NH3+][C@H](CN1C[C@H]([NH3+])C[C@@H](F)C1)c1ccccc1 ZINC001206403863 978780235 /nfs/dbraw/zinc/78/02/35/978780235.db2.gz JWTQTKPBULJNQD-JHJVBQTASA-N 2 0 237.322 1.058 20 0 BDADRP Cn1cccc1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001203260337 978836292 /nfs/dbraw/zinc/83/62/92/978836292.db2.gz SOPLKIMUQHDXLJ-OLZOCXBDSA-N 2 0 233.359 1.409 20 0 BDADRP C[NH+](C)CCCNc1cc[nH+]cc1C1CC1 ZINC001339499315 978859629 /nfs/dbraw/zinc/85/96/29/978859629.db2.gz GKWZPGSZHPEAKM-UHFFFAOYSA-N 2 0 219.332 1.745 20 0 BDADRP CC[NH+]1CCC(CN(C)CC(F)F)CC1 ZINC001180284221 978860036 /nfs/dbraw/zinc/86/00/36/978860036.db2.gz DEMGWXXIEFRNFD-UHFFFAOYSA-N 2 0 220.307 1.915 20 0 BDADRP C(CN1CCCCC12C[NH2+]C2)C1CC[NH2+]CC1 ZINC001235104615 978976272 /nfs/dbraw/zinc/97/62/72/978976272.db2.gz ULVKQAIYENSPER-UHFFFAOYSA-N 2 0 237.391 1.204 20 0 BDADRP C([C@H]1CCCC[NH2+]1)N1CCCC[C@]12CC[NH2+]C2 ZINC001235126565 978979817 /nfs/dbraw/zinc/97/98/17/978979817.db2.gz UFQRLVJSNCCKLY-ZIAGYGMSSA-N 2 0 237.391 1.347 20 0 BDADRP [NH3+]Cc1ccccc1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001340148347 978980159 /nfs/dbraw/zinc/98/01/59/978980159.db2.gz SJQGOWHBVMYGHU-NEPJUHHUSA-N 2 0 247.342 1.145 20 0 BDADRP CC[C@@H]([NH3+])CN1CCCC[C@@]12CCC[NH2+]C2 ZINC001235172316 978989483 /nfs/dbraw/zinc/98/94/83/978989483.db2.gz LMNRNDUDKYBDSU-OLZOCXBDSA-N 2 0 225.380 1.332 20 0 BDADRP CC[NH2+]CCN1CCCC[C@@]12CCC[NH2+]C2 ZINC001235176130 978989905 /nfs/dbraw/zinc/98/99/05/978989905.db2.gz ZNVYHHWXGZOAFS-ZDUSSCGKSA-N 2 0 225.380 1.204 20 0 BDADRP OCCC[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235232511 979001304 /nfs/dbraw/zinc/00/13/04/979001304.db2.gz JWZGQCYICXMEIV-CYBMUJFWSA-N 2 0 226.364 1.223 20 0 BDADRP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC001235241026 979003246 /nfs/dbraw/zinc/00/32/46/979003246.db2.gz PNJUQRKJEWUDRJ-MGPQQGTHSA-N 3 0 237.391 1.189 20 0 BDADRP [NH3+]Cc1cccc(CN2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC001235248023 979004032 /nfs/dbraw/zinc/00/40/32/979004032.db2.gz LJJIWXLBRIQIAQ-HUUCEWRRSA-N 2 0 245.370 1.459 20 0 BDADRP CN(CCCCCC[NH3+])[C@@H]1CCC[NH2+]C1 ZINC001235342414 979031499 /nfs/dbraw/zinc/03/14/99/979031499.db2.gz NACNVOJAPMVWTI-GFCCVEGCSA-N 2 0 213.369 1.189 20 0 BDADRP CC(C)[C@@H]1CN(CCCCCC[NH3+])CC[NH2+]1 ZINC001235471846 979052945 /nfs/dbraw/zinc/05/29/45/979052945.db2.gz VCZIPDLTKVBOLJ-ZDUSSCGKSA-N 2 0 227.396 1.435 20 0 BDADRP CCOC[C@@]12CCC[C@@H]1C[N@H+](C[C@@H](C)[NH3+])C2 ZINC001235493767 979057258 /nfs/dbraw/zinc/05/72/58/979057258.db2.gz ISSAYMYCCUNFON-UPJWGTAASA-N 2 0 226.364 1.472 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)C[C@@H]([NH3+])C(C)(C)C ZINC001340692982 979065329 /nfs/dbraw/zinc/06/53/29/979065329.db2.gz VRHAWHBOHZBVPL-OUAUKWLOSA-N 2 0 241.379 1.088 20 0 BDADRP [NH3+]CCCCN1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001235536522 979081602 /nfs/dbraw/zinc/08/16/02/979081602.db2.gz HCVFNEZIXUBFOR-UHFFFAOYSA-N 2 0 237.391 1.143 20 0 BDADRP Cc1ccc2c(n1)N(C)CC[N@H+](CCCC[NH3+])C2 ZINC001235546720 979083243 /nfs/dbraw/zinc/08/32/43/979083243.db2.gz KZCFWWOVHLETGL-UHFFFAOYSA-N 2 0 248.374 1.381 20 0 BDADRP CC[C@H]1CN(CCC2CC[NH2+]CC2)CC[NH2+]1 ZINC001235725578 979136763 /nfs/dbraw/zinc/13/67/63/979136763.db2.gz ZCSOWZJEKALXJK-ZDUSSCGKSA-N 2 0 225.380 1.060 20 0 BDADRP [NH3+]C[C@H]1CCN(CCC[NH2+]C2CCCCC2)C1 ZINC001235750271 979138353 /nfs/dbraw/zinc/13/83/53/979138353.db2.gz OBWIGFHJXWOCQR-CYBMUJFWSA-N 2 0 239.407 1.579 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001235736406 979140537 /nfs/dbraw/zinc/14/05/37/979140537.db2.gz VPFYIHAHSZNVAY-CQSZACIVSA-N 2 0 233.359 1.827 20 0 BDADRP CC[C@H]1CNCC[N@@H+]1CCCCCC[NH3+] ZINC001235769922 979145495 /nfs/dbraw/zinc/14/54/95/979145495.db2.gz ZTCIWJCRVYRSMF-LBPRGKRZSA-N 2 0 213.369 1.189 20 0 BDADRP CC[C@H]1C[NH2+]CCN1Cc1ccc(C[NH3+])cc1 ZINC001235770359 979150516 /nfs/dbraw/zinc/15/05/16/979150516.db2.gz DLWGMUDPHJNEKA-AWEZNQCLSA-N 2 0 233.359 1.329 20 0 BDADRP COC(=O)c1cccc2c1CN(CCCC[NH3+])C2 ZINC001235791385 979150745 /nfs/dbraw/zinc/15/07/45/979150745.db2.gz QJYQQDWMFHVBCR-UHFFFAOYSA-N 2 0 248.326 1.528 20 0 BDADRP CC(C)C[C@H]1CN(CC23CC([NH3+])(C2)C3)CC[NH2+]1 ZINC001235877886 979176876 /nfs/dbraw/zinc/17/68/76/979176876.db2.gz BHOWWOYTDQHZFP-HSBZDZAISA-N 2 0 237.391 1.188 20 0 BDADRP [NH3+]CCN(CC[NH3+])CCCCCc1ccccc1 ZINC001235875296 979177300 /nfs/dbraw/zinc/17/73/00/979177300.db2.gz DNWQAWSZMVSIQF-UHFFFAOYSA-N 2 0 249.402 1.619 20 0 BDADRP CC1=C[C@H](C)[C@@H](CN(CC[NH3+])CC[NH3+])CC1 ZINC001235877999 979177954 /nfs/dbraw/zinc/17/79/54/979177954.db2.gz YIWQZTANZGCCRK-QWHCGFSZSA-N 2 0 225.380 1.198 20 0 BDADRP Cc1cc(CN(CC[NH3+])CC[NH3+])cc(C)c1F ZINC001235877547 979178656 /nfs/dbraw/zinc/17/86/56/979178656.db2.gz NRPXKOUFZOBHRO-UHFFFAOYSA-N 2 0 239.338 1.162 20 0 BDADRP C[C@@H]1CC[C@H]([NH3+])CN1Cc1ccc(C[NH3+])cc1 ZINC001235907669 979205111 /nfs/dbraw/zinc/20/51/11/979205111.db2.gz SBJPKUFCMWJUJJ-RISCZKNCSA-N 3 0 233.359 1.457 20 0 BDADRP CC1(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])CC[NH2+]CC1 ZINC001235960072 979228765 /nfs/dbraw/zinc/22/87/65/979228765.db2.gz VIIRPBOPHSMEEK-CLLJXQQHSA-N 3 0 237.391 1.045 20 0 BDADRP [NH3+][C@]12CC[C@H]1C[N@H+](CCC1CCCC1)C2 ZINC001235980942 979240137 /nfs/dbraw/zinc/24/01/37/979240137.db2.gz SKCRGWXIKKIMHC-STQMWFEESA-N 2 0 208.349 1.990 20 0 BDADRP CCC[C@@H](C)C[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235995473 979284859 /nfs/dbraw/zinc/28/48/59/979284859.db2.gz YJHAPXRRMVEFLN-FKJOKYEKSA-N 2 0 226.364 1.328 20 0 BDADRP CCN(C[C@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC001236006324 979291000 /nfs/dbraw/zinc/29/10/00/979291000.db2.gz QTNRWLHVTISOIH-STQMWFEESA-N 2 0 225.380 1.060 20 0 BDADRP [NH3+]CCCC[N@@H+]1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001236007582 979296336 /nfs/dbraw/zinc/29/63/36/979296336.db2.gz WKMJCENXYZSTGV-JTQLQIEISA-N 2 0 234.290 1.225 20 0 BDADRP C[C@H]1C[C@@H]([NH3+])CN(C[C@@H]([NH3+])c2ccccc2)C1 ZINC001236044497 979332417 /nfs/dbraw/zinc/33/24/17/979332417.db2.gz MVFMGHQQWBNBMN-IACUBPJLSA-N 2 0 233.359 1.356 20 0 BDADRP CCc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001206464960 979345450 /nfs/dbraw/zinc/34/54/50/979345450.db2.gz VGTMEKMQQNTYAU-UONOGXRCSA-N 2 0 234.343 1.000 20 0 BDADRP [NH3+]Cc1cccc(CN2C[C@H]3CC[C@@H](C2)[NH2+]C3)c1 ZINC001236060773 979354852 /nfs/dbraw/zinc/35/48/52/979354852.db2.gz STQBNWOEBZKDDY-GJZGRUSLSA-N 2 0 245.370 1.329 20 0 BDADRP C[C@H]1CN(C[C@H]([NH3+])Cc2ccccc2)CCC[NH2+]1 ZINC001236097717 979388916 /nfs/dbraw/zinc/38/89/16/979388916.db2.gz MTJDGFUMSROTOW-DZGCQCFKSA-N 2 0 247.386 1.240 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](C)N1CC[C@@H]1CCCC[NH2+]1 ZINC001236103903 979392581 /nfs/dbraw/zinc/39/25/81/979392581.db2.gz FMUGKOZCDMJFMG-UPJWGTAASA-N 2 0 225.380 1.201 20 0 BDADRP CN(C[C@H]([NH3+])Cc1ccccc1)C[C@@H]1CCC[NH2+]1 ZINC001236118147 979396445 /nfs/dbraw/zinc/39/64/45/979396445.db2.gz GLMAABRZKFNVJM-CABCVRRESA-N 2 0 247.386 1.240 20 0 BDADRP CCC[C@@H]1C[NH2+]CCN1Cc1cccc(C[NH3+])c1 ZINC001236133498 979402644 /nfs/dbraw/zinc/40/26/44/979402644.db2.gz WEMDIILQGWDUHT-OAHLLOKOSA-N 2 0 247.386 1.719 20 0 BDADRP C[C@H]([NH3+])CN1CC[NH2+]C[C@H]1c1ccc(F)cc1 ZINC001236128429 979403718 /nfs/dbraw/zinc/40/37/18/979403718.db2.gz KIGPSILYUNJXRY-GWCFXTLKSA-N 2 0 237.322 1.119 20 0 BDADRP CCCC[C@H]1CN(CCC[NH2+]C)CC[NH2+]1 ZINC001236136648 979409575 /nfs/dbraw/zinc/40/95/75/979409575.db2.gz ZUQWHDSGUYPFEU-LBPRGKRZSA-N 2 0 213.369 1.060 20 0 BDADRP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](CCCCCO)C2 ZINC001236152971 979414587 /nfs/dbraw/zinc/41/45/87/979414587.db2.gz GFPPSXMOYPROMD-CHWSQXEVSA-N 2 0 226.364 1.033 20 0 BDADRP CCN(CC[NH2+]C)C[C@@H]([NH3+])c1ccccc1 ZINC001236144318 979415154 /nfs/dbraw/zinc/41/51/54/979415154.db2.gz PRXXHHWXLPEVCA-CYBMUJFWSA-N 2 0 221.348 1.228 20 0 BDADRP [NH3+][C@@H]1CCN(Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001236174854 979436317 /nfs/dbraw/zinc/43/63/17/979436317.db2.gz ZZTWYRNYRXFHDR-SNVBAGLBSA-N 2 0 216.288 1.096 20 0 BDADRP CCC[C@H]1CN(CCCCC[NH3+])CC[NH2+]1 ZINC001236176784 979436760 /nfs/dbraw/zinc/43/67/60/979436760.db2.gz DJHYCRMERIBLHX-LBPRGKRZSA-N 2 0 213.369 1.189 20 0 BDADRP CN(CCCCCC[NH3+])[C@]1(C)CCC[NH2+]C1 ZINC001236202260 979448085 /nfs/dbraw/zinc/44/80/85/979448085.db2.gz PJOMDNYZECTDQL-CYBMUJFWSA-N 2 0 227.396 1.579 20 0 BDADRP C[N@H+](CCCCCC[NH3+])[C@H]1CCCC[C@@H]1N ZINC001236211430 979448316 /nfs/dbraw/zinc/44/83/16/979448316.db2.gz HZGDQGGDRATNHY-STQMWFEESA-N 2 0 227.396 1.707 20 0 BDADRP C([C@H]1CCC[NH2+]C1)N1CCC[C@H]([NH2+]C2CC2)C1 ZINC001236216921 979451949 /nfs/dbraw/zinc/45/19/49/979451949.db2.gz YONSTZXSJAFCFT-JSGCOSHPSA-N 2 0 237.391 1.202 20 0 BDADRP [NH3+]C[C@H]1CCCN1Cc1ccc2c(c1)CCN2 ZINC001236251682 979471494 /nfs/dbraw/zinc/47/14/94/979471494.db2.gz XPQJBTZSKGWTMZ-CYBMUJFWSA-N 2 0 231.343 1.578 20 0 BDADRP CCC1(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)COC1 ZINC001236315030 979523899 /nfs/dbraw/zinc/52/38/99/979523899.db2.gz UXBYGTDHSDVWMN-BETUJISGSA-N 2 0 238.375 1.344 20 0 BDADRP c1cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c[nH]1 ZINC001236321206 979531822 /nfs/dbraw/zinc/53/18/22/979531822.db2.gz YJVUPASSONRCEL-BETUJISGSA-N 2 0 219.332 1.446 20 0 BDADRP CCCN(C[C@H]1CCCC[NH2+]1)[C@H]1CC[NH2+]C1 ZINC001236322638 979535901 /nfs/dbraw/zinc/53/59/01/979535901.db2.gz RMJIKDPMJBYXMV-OLZOCXBDSA-N 2 0 225.380 1.202 20 0 BDADRP CCCN(CC[C@@H]1CCCC[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC001236322263 979539089 /nfs/dbraw/zinc/53/90/89/979539089.db2.gz LZPVBIVMPYUMKF-UONOGXRCSA-N 2 0 239.407 1.593 20 0 BDADRP C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C(=O)CCC(C)(C)[NH3+] ZINC001341763630 979547028 /nfs/dbraw/zinc/54/70/28/979547028.db2.gz FYMKVHFTKRTYMZ-GARJFASQSA-N 2 0 241.379 1.101 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)N[C@H]1CCC[NH2+]CC1 ZINC001341765794 979550042 /nfs/dbraw/zinc/55/00/42/979550042.db2.gz MUZDYMASYCUIKT-RYUDHWBXSA-N 2 0 241.379 1.008 20 0 BDADRP CC(C)N(CCCCCC[NH3+])[C@@H]1CCC[NH2+]C1 ZINC001236470006 979604432 /nfs/dbraw/zinc/60/44/32/979604432.db2.gz YVYSKYMQLJVGIL-CQSZACIVSA-N 2 0 241.423 1.968 20 0 BDADRP CC[C@@H]([NH3+])CN(C(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236468900 979604896 /nfs/dbraw/zinc/60/48/96/979604896.db2.gz NLLZDJCWIZDTRL-VXGBXAGGSA-N 2 0 213.369 1.186 20 0 BDADRP [NH3+]CCCC[N@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236572571 979626990 /nfs/dbraw/zinc/62/69/90/979626990.db2.gz SNYKNAZIKYNRBY-MQMHXKEQSA-N 3 0 239.407 1.850 20 0 BDADRP C[NH2+]CCC[N@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551694 979635134 /nfs/dbraw/zinc/63/51/34/979635134.db2.gz KYCMACOKWIDNBL-HDJSIYSDSA-N 3 0 239.407 1.578 20 0 BDADRP [NH3+][C@H]1CC[C@H]([N@H+](CCO)C2CCC2)CC1 ZINC001236572998 979637779 /nfs/dbraw/zinc/63/77/79/979637779.db2.gz YKYCEGPWBQGYMG-UMSPYCQHSA-N 2 0 212.337 1.103 20 0 BDADRP CC[C@H](N)C[N@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236571409 979638210 /nfs/dbraw/zinc/63/82/10/979638210.db2.gz CIMRDUXTOQQLLL-OBJOEFQTSA-N 2 0 239.407 1.848 20 0 BDADRP C[C@@]1(C[NH3+])CCCC[N@H+](CC2CCOCC2)C1 ZINC001206541257 979645495 /nfs/dbraw/zinc/64/54/95/979645495.db2.gz FYUMECIFJQMSPO-AWEZNQCLSA-N 2 0 240.391 1.864 20 0 BDADRP C[C@@]1(C[NH3+])CCCCN(C[C@H]2CCCC[NH2+]2)C1 ZINC001206541798 979651815 /nfs/dbraw/zinc/65/18/15/979651815.db2.gz KPVDKDIUBKSSHL-KGLIPLIRSA-N 2 0 239.407 1.579 20 0 BDADRP Cc1[nH+]cc(Nc2cc[nH+]c(N)c2)n1C ZINC001206542801 979661942 /nfs/dbraw/zinc/66/19/42/979661942.db2.gz KAEOEYDQQHMDFD-UHFFFAOYSA-N 2 0 203.249 1.449 20 0 BDADRP CC[C@@H]([NH3+])CN(C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236584400 979665528 /nfs/dbraw/zinc/66/55/28/979665528.db2.gz AJDFMJKSLDKMAA-NWDGAFQWSA-N 2 0 225.380 1.188 20 0 BDADRP [NH3+]CCCC[N@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236584513 979665707 /nfs/dbraw/zinc/66/57/07/979665707.db2.gz GCWMSLNJXKXQBB-LBPRGKRZSA-N 3 0 225.380 1.189 20 0 BDADRP C[C@H](CO)C[N@@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001277994092 979687454 /nfs/dbraw/zinc/68/74/54/979687454.db2.gz JXXXSSRHSRSFCV-KBPBESRZSA-N 2 0 240.391 1.423 20 0 BDADRP Cc1cccnc1O[C@H]1CC[N@H+](CCCC[NH3+])C1 ZINC001236664015 979689131 /nfs/dbraw/zinc/68/91/31/979689131.db2.gz NODBGYDBOAAMGI-ZDUSSCGKSA-N 2 0 249.358 1.582 20 0 BDADRP C[C@@]1([NH3+])CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC001205257206 979755787 /nfs/dbraw/zinc/75/57/87/979755787.db2.gz UAXJDMVAHBAVBM-UONOGXRCSA-N 3 0 239.407 1.579 20 0 BDADRP C[C@H]([NH3+])CN(C)Cc1ccc(-n2nccn2)cc1 ZINC001236909061 979789987 /nfs/dbraw/zinc/78/99/87/979789987.db2.gz OPBBTVLZLZXNJX-NSHDSACASA-N 2 0 245.330 1.046 20 0 BDADRP C[C@@]1(C[NH3+])CCCN(CC[C@H]2CCCC[NH2+]2)C1 ZINC001237055182 979812515 /nfs/dbraw/zinc/81/25/15/979812515.db2.gz AQYXOXFEUJPMHC-KGLIPLIRSA-N 2 0 239.407 1.579 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H]2C[C@@H](CO)C2)CC1 ZINC001183336276 979819434 /nfs/dbraw/zinc/81/94/34/979819434.db2.gz OMBAXUOTZSXXKU-BETUJISGSA-N 2 0 226.364 1.079 20 0 BDADRP CC[NH+]1CCC(C[NH2+]C[C@H]2C[C@H](OC)C2)CC1 ZINC001183511711 979839158 /nfs/dbraw/zinc/83/91/58/979839158.db2.gz SPZZXWRDOZDBLI-HDJSIYSDSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CN1C[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001237203497 979845179 /nfs/dbraw/zinc/84/51/79/979845179.db2.gz HMEAAHBEUVFPDT-UGFHNGPFSA-N 2 0 245.370 1.122 20 0 BDADRP C[C@H]([NH3+])CN1Cc2ccccc2C12CC[NH2+]CC2 ZINC001237305984 979863428 /nfs/dbraw/zinc/86/34/28/979863428.db2.gz YTROLNCPGHDOFA-LBPRGKRZSA-N 2 0 245.370 1.428 20 0 BDADRP C1=CO[C@H](C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)CC1 ZINC001237379382 979877943 /nfs/dbraw/zinc/87/79/43/979877943.db2.gz BBTDXYFEZQFWMF-RDBSUJKOSA-N 2 0 236.359 1.753 20 0 BDADRP Nc1ccccc1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237415558 979888238 /nfs/dbraw/zinc/88/82/38/979888238.db2.gz QAWIEBKTJWYRNX-HIFRSBDPSA-N 2 0 245.370 1.843 20 0 BDADRP Nc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237416958 979888754 /nfs/dbraw/zinc/88/87/54/979888754.db2.gz RJWOYTIYHGCXOV-ZFWWWQNUSA-N 2 0 245.370 1.843 20 0 BDADRP c1[nH+]cn2c1cccc2CN1CC[N@@H+]2CC[C@@H]2C1 ZINC001238112017 980163324 /nfs/dbraw/zinc/16/33/24/980163324.db2.gz AQYDKZKUGDSPPA-CYBMUJFWSA-N 2 0 242.326 1.224 20 0 BDADRP c1[nH+]cn2c1cccc2CN1CC[N@@H+]2CC[C@H]2C1 ZINC001238112022 980164426 /nfs/dbraw/zinc/16/44/26/980164426.db2.gz AQYDKZKUGDSPPA-ZDUSSCGKSA-N 2 0 242.326 1.224 20 0 BDADRP C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001344590162 980440741 /nfs/dbraw/zinc/44/07/41/980440741.db2.gz JXXUZCRZTDENTJ-MWLCHTKSSA-N 2 0 245.326 1.226 20 0 BDADRP C[NH+]1CCC(CC[NH2+]C[C@@H](O)C2CC2)CC1 ZINC001345607420 980646192 /nfs/dbraw/zinc/64/61/92/980646192.db2.gz XVBYQYBSIAZMCQ-CYBMUJFWSA-N 2 0 226.364 1.079 20 0 BDADRP C[NH2+][C@H](C)CCNC(=O)[C@@H]([NH3+])c1ccc(C)cc1 ZINC001345994586 980723836 /nfs/dbraw/zinc/72/38/36/980723836.db2.gz ZDRKYYCGLPHCHO-YPMHNXCESA-N 2 0 249.358 1.109 20 0 BDADRP Cc1cccc([C@@H](O)C[NH2+]C[C@@H]2CC[N@@H+](C)C2)c1 ZINC001346192558 980779770 /nfs/dbraw/zinc/77/97/70/980779770.db2.gz WCOQLLBKGXNOIA-ZFWWWQNUSA-N 2 0 248.370 1.570 20 0 BDADRP C[NH+](C)Cc1cncc(-c2cncc(C[NH3+])c2)c1 ZINC001239803781 980940002 /nfs/dbraw/zinc/94/00/02/980940002.db2.gz HRNQVHYGFDAADZ-UHFFFAOYSA-N 2 0 242.326 1.664 20 0 BDADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2cc[nH]n2)CC1 ZINC001205545354 980945291 /nfs/dbraw/zinc/94/52/91/980945291.db2.gz DWEWGEBEBCEIJL-NSHDSACASA-N 2 0 226.299 1.063 20 0 BDADRP [NH3+]C[C@]1(F)CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC001205545976 980946026 /nfs/dbraw/zinc/94/60/26/980946026.db2.gz NYTMOILJYGJOSH-NEPJUHHUSA-N 2 0 230.327 1.318 20 0 BDADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2cccnn2)CC1 ZINC001205558060 980988824 /nfs/dbraw/zinc/98/88/24/980988824.db2.gz BFRKQIWDEOPEEB-LBPRGKRZSA-N 2 0 238.310 1.130 20 0 BDADRP C[C@H]1CC[N@H+](Cc2ccccn2)CC[C@H]1C[NH3+] ZINC001205601760 981158997 /nfs/dbraw/zinc/15/89/97/981158997.db2.gz GEBQJEKLJJOSOJ-STQMWFEESA-N 2 0 233.359 1.888 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2cn[nH]c2)CC[C@@H]1C[NH3+] ZINC001205601367 981159444 /nfs/dbraw/zinc/15/94/44/981159444.db2.gz DWEOKYCKCCLERH-ZYHUDNBSSA-N 2 0 222.336 1.217 20 0 BDADRP COC(=O)[C@H](C)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205602375 981161569 /nfs/dbraw/zinc/16/15/69/981161569.db2.gz IHJMNTQNUSTDCF-UTUOFQBUSA-N 2 0 242.363 1.102 20 0 BDADRP C[C@H]1CC[N@H+](Cc2cncn2C)CC[C@H]1C[NH3+] ZINC001205602748 981168446 /nfs/dbraw/zinc/16/84/46/981168446.db2.gz MAWCNLWGTBZDQY-RYUDHWBXSA-N 2 0 236.363 1.227 20 0 BDADRP C[C@H]1CC[N@H+](Cc2ccon2)CC[C@@H]1C[NH3+] ZINC001205618293 981223700 /nfs/dbraw/zinc/22/37/00/981223700.db2.gz UGPFXTOIWXGJPC-WDEREUQCSA-N 2 0 223.320 1.481 20 0 BDADRP CC[C@@H](C[NH+]1CCCC1)Nc1nccnc1C[NH3+] ZINC001348000220 981241897 /nfs/dbraw/zinc/24/18/97/981241897.db2.gz ILHVRHBFKZVUNI-NSHDSACASA-N 2 0 249.362 1.222 20 0 BDADRP Nc1cc[nH+]cc1-c1ccc2c(c1)CC[NH2+]C2 ZINC001240456118 981393197 /nfs/dbraw/zinc/39/31/97/981393197.db2.gz ZKUBMOHGGAXRRS-UHFFFAOYSA-N 2 0 225.295 1.807 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2cccc(N)n2)CC[C@@H]1C[NH3+] ZINC001205638823 981412238 /nfs/dbraw/zinc/41/22/38/981412238.db2.gz SGCUCAMXGZQNAF-VXGBXAGGSA-N 2 0 248.374 1.471 20 0 BDADRP C[NH2+][C@H](C)CCNC1CC[NH+](C(C)(C)C)CC1 ZINC001348839574 981455510 /nfs/dbraw/zinc/45/55/10/981455510.db2.gz BZZFSRAPCAWQHW-GFCCVEGCSA-N 2 0 241.423 1.837 20 0 BDADRP OC1(C2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC001580877666 981661673 /nfs/dbraw/zinc/66/16/73/981661673.db2.gz DAVGAYMLNVRESM-GFCCVEGCSA-N 2 0 238.375 1.223 20 0 BDADRP O[C@]1(C[NH2+][C@H]2CC3CCC2CC3)CCC[NH2+]C1 ZINC001580880099 981667472 /nfs/dbraw/zinc/66/74/72/981667472.db2.gz JHVHIZAJBDXNJV-CLRIEMFWSA-N 2 0 238.375 1.269 20 0 BDADRP O[C@@H]1CCCC[C@@H]1C[NH+]1CCC2(C[NH2+]C2)CC1 ZINC001580879719 981667998 /nfs/dbraw/zinc/66/79/98/981667998.db2.gz DFWVAEBLDOIJQU-CHWSQXEVSA-N 2 0 238.375 1.223 20 0 BDADRP O[C@@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C1CC[NH2+]CC1 ZINC001580878525 981668650 /nfs/dbraw/zinc/66/86/50/981668650.db2.gz QTQIKXVWBIEDIL-RQJABVFESA-N 2 0 238.375 1.125 20 0 BDADRP O[C@@]1(C[N@@H+]2CC[C@@H](C3CCC3)C2)CCC[NH2+]C1 ZINC001580878603 981672907 /nfs/dbraw/zinc/67/29/07/981672907.db2.gz SKYPZAFUDLXMEA-KGLIPLIRSA-N 2 0 238.375 1.223 20 0 BDADRP O[C@@H]1CCC[C@H]1[NH2+]C1CC2(C1)CC[NH2+]CC2 ZINC001580884791 981692400 /nfs/dbraw/zinc/69/24/00/981692400.db2.gz QAXIGQLHBNKEGJ-VXGBXAGGSA-N 2 0 224.348 1.022 20 0 BDADRP OC[C@]12CCC[C@H]1C[N@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC001580884426 981699836 /nfs/dbraw/zinc/69/98/36/981699836.db2.gz APTQRLMTZAMQEJ-HZSPNIEDSA-N 2 0 238.375 1.080 20 0 BDADRP c1c(C[NH2+][C@H]2CCOC2)sc2c1C[NH2+]CC2 ZINC001580887765 981716440 /nfs/dbraw/zinc/71/64/40/981716440.db2.gz HWYPQIAIIVLLKF-JTQLQIEISA-N 2 0 238.356 1.272 20 0 BDADRP c1cc(CCC[NH2+]C[C@]23C[C@H]2C[NH2+]C3)cs1 ZINC001580887818 981718424 /nfs/dbraw/zinc/71/84/24/981718424.db2.gz JOCHJEHZGAETGV-STQMWFEESA-N 2 0 236.384 1.880 20 0 BDADRP c1ccc2c(c1)CC(C[NH2+]C[C@H]1CC[NH2+]1)C2 ZINC001580896102 981728556 /nfs/dbraw/zinc/72/85/56/981728556.db2.gz ZMKVECSPGCHBKK-CQSZACIVSA-N 2 0 216.328 1.353 20 0 BDADRP c1cnc([C@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)cn1 ZINC001580896858 981732374 /nfs/dbraw/zinc/73/23/74/981732374.db2.gz VPNHEROZOQRORJ-ZDUSSCGKSA-N 2 0 246.358 1.266 20 0 BDADRP c1nn2c(c1C[NH2+]C[C@@H]1CCC[NH2+]CC1)CCC2 ZINC001580898809 981742284 /nfs/dbraw/zinc/74/22/84/981742284.db2.gz RNXIKSHPZFHSCJ-GFCCVEGCSA-N 2 0 248.374 1.309 20 0 BDADRP CC[C@H](NC)c1nc([C@@H](N)c2ccccc2)no1 ZINC001350000167 981841197 /nfs/dbraw/zinc/84/11/97/981841197.db2.gz BBJWCYYQXJMZEJ-QWRGUYRKSA-N 2 0 246.314 1.788 20 0 BDADRP Cc1cc(C=C2CC[NH2+]CC2)nc2c1C[NH2+]CC2 ZINC001240872547 981914025 /nfs/dbraw/zinc/91/40/25/981914025.db2.gz FMGQDBAOJWCTHY-UHFFFAOYSA-N 2 0 243.354 1.803 20 0 BDADRP CN(CC(C)(C)[NH3+])C(=O)[C@@H]([NH3+])C1CCCCC1 ZINC001350408486 981967719 /nfs/dbraw/zinc/96/77/19/981967719.db2.gz BMWRLKRCTYWVNV-NSHDSACASA-N 2 0 241.379 1.090 20 0 BDADRP C[N@H+]1CC=C(c2ccc3c(n2)C[NH2+]CC3)CC1 ZINC001241310898 982456085 /nfs/dbraw/zinc/45/60/85/982456085.db2.gz NSMXQJKNKZJTPM-UHFFFAOYSA-N 2 0 229.327 1.446 20 0 BDADRP C[N@H+]1CC=C(c2cnc3c(c2)C[NH2+]CC3)CC1 ZINC001241323102 982484755 /nfs/dbraw/zinc/48/47/55/982484755.db2.gz YTAKTRRBYIHOBV-UHFFFAOYSA-N 2 0 229.327 1.446 20 0 BDADRP [NH3+]C[C@]12CC[C@@H]1CCCN2C[C@H]1CCC[NH2+]C1 ZINC001352776661 982571654 /nfs/dbraw/zinc/57/16/54/982571654.db2.gz DEALFCXJKVWMEG-MELADBBJSA-N 2 0 237.391 1.189 20 0 BDADRP CC(C)([NH3+])CCNC(=O)[C@](C)([NH3+])c1ccccc1 ZINC001353127634 982705703 /nfs/dbraw/zinc/70/57/03/982705703.db2.gz VSFLEKNQLBHSQN-CQSZACIVSA-N 2 0 249.358 1.104 20 0 BDADRP C[N@@H+]1CCC=C(c2ccccc2CC[NH3+])C1 ZINC001241570157 982818622 /nfs/dbraw/zinc/81/86/22/982818622.db2.gz GWIQUODOYOXBBD-UHFFFAOYSA-N 2 0 216.328 1.907 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)C2CC([NH2+]C)C2)cc1 ZINC001353654691 982953523 /nfs/dbraw/zinc/95/35/23/982953523.db2.gz KNKBYOFNSTXMSF-UHFFFAOYSA-N 2 0 247.342 1.343 20 0 BDADRP CC(C)[NH+]1CCC(C[N@@H+](C)C[C@H](C)O)CC1 ZINC001251961325 983034422 /nfs/dbraw/zinc/03/44/22/983034422.db2.gz HVARPYZWRNUUBX-LBPRGKRZSA-N 2 0 228.380 1.419 20 0 BDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)c1ccccc1C[NH3+] ZINC001353929148 983086973 /nfs/dbraw/zinc/08/69/73/983086973.db2.gz RHUWTOVTLQQHIT-RYUDHWBXSA-N 2 0 247.342 1.001 20 0 BDADRP [NH3+]Cc1ccc(-c2ncc3c(n2)C[NH2+]C3)cc1 ZINC001241911557 983125793 /nfs/dbraw/zinc/12/57/93/983125793.db2.gz NMPRIPWLEGLVSA-UHFFFAOYSA-N 2 0 226.283 1.206 20 0 BDADRP C[C@H]1[C@@H](C[NH3+])CCCN1C[C@@H]([NH3+])c1ccccc1 ZINC001205905181 983132828 /nfs/dbraw/zinc/13/28/28/983132828.db2.gz ZHTWQBXMBMOEFL-NWANDNLSSA-N 2 0 247.386 1.746 20 0 BDADRP CC(C)[N@H+](C)CCCNc1nccnc1C[NH3+] ZINC001354071486 983137093 /nfs/dbraw/zinc/13/70/93/983137093.db2.gz RVAVHLLWEMNJJF-UHFFFAOYSA-N 2 0 237.351 1.078 20 0 BDADRP Cc1cc(N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc[nH+]1 ZINC001354129429 983168985 /nfs/dbraw/zinc/16/89/85/983168985.db2.gz GQSMWNVHINMYSS-IINYFYTJSA-N 2 0 231.343 1.707 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC001354235354 983215142 /nfs/dbraw/zinc/21/51/42/983215142.db2.gz JNMDURKUUYSYIF-TUAOUCFPSA-N 2 0 226.364 1.268 20 0 BDADRP CC[N@@H+]1C[C@H]2CCN(Cc3ccncc3)C[C@H]2C1 ZINC001201580037 983343696 /nfs/dbraw/zinc/34/36/96/983343696.db2.gz AMWYDMMUZSIBLS-HUUCEWRRSA-N 2 0 245.370 1.855 20 0 BDADRP COC/C(C)=C/C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC001354710015 983348154 /nfs/dbraw/zinc/34/81/54/983348154.db2.gz OAHHNEVWTDASEU-GUNGLEHYSA-N 2 0 240.391 1.995 20 0 BDADRP CCC[N@@H+]1C[C@@H]2CN(CC)CCO[C@@H]2C1 ZINC001201642398 983398861 /nfs/dbraw/zinc/39/88/61/983398861.db2.gz WYQMRLZAXCLTOT-NWDGAFQWSA-N 2 0 212.337 1.049 20 0 BDADRP CC[NH+]1C[C@H]2C[NH+](CCCSC)C[C@@H]2C1 ZINC001201698022 983411627 /nfs/dbraw/zinc/41/16/27/983411627.db2.gz VBFKJMHPTIRFDV-RYUDHWBXSA-N 2 0 228.405 1.623 20 0 BDADRP CC(C)[NH2+]CCC(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001355517847 983509558 /nfs/dbraw/zinc/50/95/58/983509558.db2.gz AOJSWRXMRMFOKR-LBPRGKRZSA-N 2 0 241.379 1.023 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@H]2COC[C@H]2C2CC2)CC1 ZINC001356050370 983561211 /nfs/dbraw/zinc/56/12/11/983561211.db2.gz YTHMWERRRNMWIL-FFKWVLBGSA-N 2 0 238.375 1.519 20 0 BDADRP CCCC[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC001252108197 983667592 /nfs/dbraw/zinc/66/75/92/983667592.db2.gz MPPXNWIMUIFBFT-STQMWFEESA-N 2 0 228.380 1.469 20 0 BDADRP CCCC[C@H](O)C[NH2+]C1CC[NH+](CC)CC1 ZINC001252106937 983667745 /nfs/dbraw/zinc/66/77/45/983667745.db2.gz CRQHHSKDMZRCAS-ZDUSSCGKSA-N 2 0 228.380 1.611 20 0 BDADRP CC[C@@H](C)C[C@H]([NH3+])C(=O)N1CCC(C)([NH3+])CC1 ZINC001357457356 983718961 /nfs/dbraw/zinc/71/89/61/983718961.db2.gz IBBOCEZJWVVHBS-MNOVXSKESA-N 2 0 241.379 1.090 20 0 BDADRP CC(C)C[C@](C)(C[NH3+])C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC001357668784 983753259 /nfs/dbraw/zinc/75/32/59/983753259.db2.gz SRXMRMQCDBTBPP-DMDPSCGWSA-N 2 0 243.395 1.240 20 0 BDADRP CC[C@@H]([NH3+])C(=O)N1C[C@@H](CC[NH3+])c2ccccc21 ZINC001357990415 983810661 /nfs/dbraw/zinc/81/06/61/983810661.db2.gz IWRRQTPOJBJRPF-ZYHUDNBSSA-N 2 0 247.342 1.203 20 0 BDADRP C[C@H]([NH2+]C1CC1)C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001358059649 983822104 /nfs/dbraw/zinc/82/21/04/983822104.db2.gz LWFUCTLRFHLYOX-VIFPVBQESA-N 2 0 245.326 1.369 20 0 BDADRP C[NH+]1CCC(NC[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001561033931 984015257 /nfs/dbraw/zinc/01/52/57/984015257.db2.gz ACUHJMNPPJPOLV-ZDUSSCGKSA-N 2 0 237.391 1.012 20 0 BDADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H](C)CC[NH+](C)C ZINC001575541564 984128048 /nfs/dbraw/zinc/12/80/48/984128048.db2.gz WJGAAJIBTVTQRD-RYUDHWBXSA-N 2 0 243.395 1.064 20 0 BDADRP C[C@@H]([NH3+])C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC001576160086 984159885 /nfs/dbraw/zinc/15/98/85/984159885.db2.gz XJGBUDYKRHYFAU-RHYQMDGZSA-N 2 0 224.348 1.271 20 0 BDADRP CC(C)OC(=O)C[C@@H]([NH2+]C[C@H](C)[NH3+])C(C)C ZINC001576158759 984160234 /nfs/dbraw/zinc/16/02/34/984160234.db2.gz JHXPVYVVUDVUAL-WDEREUQCSA-N 2 0 230.352 1.290 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CC[C@@H]([NH3+])C1)[C@H]1CCOC1 ZINC001576246488 984160748 /nfs/dbraw/zinc/16/07/48/984160748.db2.gz XDSIQZOJNYVYNQ-NOOOWODRSA-N 2 0 212.337 1.128 20 0 BDADRP C[C@@]1(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)CCC[NH2+]C1 ZINC001576526101 984173846 /nfs/dbraw/zinc/17/38/46/984173846.db2.gz NIHCOBIVIHUMCL-FVCCEPFGSA-N 2 0 224.348 1.286 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)CC[NH2+]1 ZINC001576597831 984176562 /nfs/dbraw/zinc/17/65/62/984176562.db2.gz JEPSASZRNGYPIY-XGFWRYKXSA-N 2 0 238.375 1.077 20 0 BDADRP CCC(CC)(C[NH3+])C[NH2+][C@H](CO)CC(F)F ZINC001577052087 984187595 /nfs/dbraw/zinc/18/75/95/984187595.db2.gz IAGSEWOLMIXZOV-VIFPVBQESA-N 2 0 238.322 1.357 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CCCOC2)CCC[C@H]1C[NH3+] ZINC001205983856 984213710 /nfs/dbraw/zinc/21/37/10/984213710.db2.gz PPHWLDCZQSRERR-MCIONIFRSA-N 2 0 240.391 1.720 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H](N[C@H]3CC[NH2+]C34CCC4)[C@H]2C1 ZINC001578521181 984216653 /nfs/dbraw/zinc/21/66/53/984216653.db2.gz MMFKELDYNLNYHE-XUXIUFHCSA-N 2 0 249.402 1.201 20 0 BDADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@H]([NH3+])C2)[C@H]1C ZINC001578803599 984227631 /nfs/dbraw/zinc/22/76/31/984227631.db2.gz UMECZCCYLKXHRI-UHFZAUJKSA-N 2 0 240.347 1.044 20 0 BDADRP COC1CC([NH2+]C2CC3(CC([NH3+])C3)C2)C1 ZINC001578936425 984234593 /nfs/dbraw/zinc/23/45/93/984234593.db2.gz SWLAFIGHSZUADO-UHFFFAOYSA-N 2 0 210.321 1.023 20 0 BDADRP CO[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])C1)Cc1ccccc1 ZINC001578912206 984236732 /nfs/dbraw/zinc/23/67/32/984236732.db2.gz AAZCHAGIWAKUIV-MJBXVCDLSA-N 2 0 234.343 1.323 20 0 BDADRP COCC[C@@H]([NH3+])C[NH2+][C@H](C)CC(C)C ZINC001579002028 984250273 /nfs/dbraw/zinc/25/02/73/984250273.db2.gz NCWXMMKGWXCOBT-GHMZBOCLSA-N 2 0 202.342 1.374 20 0 BDADRP Cc1n[nH]c(C[NH2+]C[C@H]2CCC[NH2+]CC2)c1C ZINC001579514925 984285596 /nfs/dbraw/zinc/28/55/96/984285596.db2.gz ZNXLSWZQMDNZFK-LBPRGKRZSA-N 2 0 236.363 1.506 20 0 BDADRP C[NH2+]Cc1ccc(-c2cnc(C[NH3+])nc2)cc1 ZINC001242992956 984355537 /nfs/dbraw/zinc/35/55/37/984355537.db2.gz UKBIUFVAQDDUFA-UHFFFAOYSA-N 2 0 228.299 1.322 20 0 BDADRP [NH3+][C@H]1CC12CC([NH2+]CCC1(CO)CCC1)C2 ZINC001580163462 984401402 /nfs/dbraw/zinc/40/14/02/984401402.db2.gz BITPIUNMTHXYIM-AKJDGMEZSA-N 2 0 224.348 1.009 20 0 BDADRP CCCC[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001275039639 984447669 /nfs/dbraw/zinc/44/76/69/984447669.db2.gz VRDGDDTUPBUXES-GFCCVEGCSA-N 2 0 243.395 1.221 20 0 BDADRP CC[NH+]1CCC2(CC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001275085389 984476268 /nfs/dbraw/zinc/47/62/68/984476268.db2.gz SRNIADONSQBPPV-UHFFFAOYSA-N 2 0 248.374 1.718 20 0 BDADRP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2CC1CC1 ZINC001275138096 984501647 /nfs/dbraw/zinc/50/16/47/984501647.db2.gz JAPPZRNOHMMJNN-KBPBESRZSA-N 2 0 237.391 1.107 20 0 BDADRP C[NH+](C)Cc1ccnc(C2=CC[NH2+]C2)c1 ZINC001243108833 984563172 /nfs/dbraw/zinc/56/31/72/984563172.db2.gz GPWYPLLIVLMVND-UHFFFAOYSA-N 2 0 203.289 1.130 20 0 BDADRP C1=C(c2ccc(CN3CCOCC3)cc2)C[NH2+]C1 ZINC001243109622 984563462 /nfs/dbraw/zinc/56/34/62/984563462.db2.gz PNPNMHUBEJDWTJ-UHFFFAOYSA-N 2 0 244.338 1.505 20 0 BDADRP C[NH+](C)CCOc1ccccc1C1=CC[NH2+]C1 ZINC001243112505 984583464 /nfs/dbraw/zinc/58/34/64/984583464.db2.gz ZYNHNOCRLOCIJT-UHFFFAOYSA-N 2 0 232.327 1.614 20 0 BDADRP CC[NH+](CC)CCCN1C[C@H]2C[NH2+]C[C@@]2(C)C1 ZINC001577688031 984636692 /nfs/dbraw/zinc/63/66/92/984636692.db2.gz ZMMPMPSHGFOXOZ-KGLIPLIRSA-N 2 0 239.407 1.260 20 0 BDADRP CCN(CC)[C@H](C)C[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001577697965 984638680 /nfs/dbraw/zinc/63/86/80/984638680.db2.gz ZFJZEEVIXPIEPT-IGJPJIBNSA-N 2 0 225.380 1.186 20 0 BDADRP CC[NH+](CC)[C@H](C)CNCC(C)(C)C[NH3+] ZINC001577697906 984639266 /nfs/dbraw/zinc/63/92/66/984639266.db2.gz WEBXBGWNUSMXFB-LLVKDONJSA-N 2 0 215.385 1.291 20 0 BDADRP CCN(CC)[C@H](C)C[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001577697964 984644645 /nfs/dbraw/zinc/64/46/45/984644645.db2.gz ZFJZEEVIXPIEPT-CQLXCSJHSA-N 2 0 225.380 1.186 20 0 BDADRP CC[N@@H+]1CC[C@H]1CN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC001577768482 984712080 /nfs/dbraw/zinc/71/20/80/984712080.db2.gz ZFUMCLQLNNCHIQ-RWMBFGLXSA-N 2 0 225.380 1.201 20 0 BDADRP CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC001577908367 984818728 /nfs/dbraw/zinc/81/87/28/984818728.db2.gz HEIIOKWFWGQJNU-VPOLOUISSA-N 2 0 242.363 1.290 20 0 BDADRP CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC001577908374 984818899 /nfs/dbraw/zinc/81/88/99/984818899.db2.gz HIROBLYPYLJCFO-KXNHARMFSA-N 2 0 242.363 1.019 20 0 BDADRP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CC(C[NH3+])C1 ZINC001578016625 984831752 /nfs/dbraw/zinc/83/17/52/984831752.db2.gz CWEBPXNOJDJXIG-HCWSGVFWSA-N 2 0 240.347 1.045 20 0 BDADRP CCOC(CC[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)OCC ZINC001578072819 984834724 /nfs/dbraw/zinc/83/47/24/984834724.db2.gz GYSCRDOFUOKKAX-MNOVXSKESA-N 2 0 244.379 1.491 20 0 BDADRP CCOC(OCC)[C@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC001578074971 984838441 /nfs/dbraw/zinc/83/84/41/984838441.db2.gz CLHVQDBMCYBUKP-UNXYVOJBSA-N 2 0 244.379 1.634 20 0 BDADRP [NH3+]Cc1cnn([C@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC001256900552 984844831 /nfs/dbraw/zinc/84/48/31/984844831.db2.gz PAKZNWGWQQTLNB-AWEZNQCLSA-N 2 0 248.374 1.921 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H]([NH3+])C2)C12CCC2 ZINC001578093280 984845345 /nfs/dbraw/zinc/84/53/45/984845345.db2.gz GORUZEDORXTPCM-WHOHXGKFSA-N 2 0 224.348 1.413 20 0 BDADRP CCO[C@H]1CCC[C@H]([NH2+][C@H]2C[C@H]([NH3+])C2)C1 ZINC001578097678 984847690 /nfs/dbraw/zinc/84/76/90/984847690.db2.gz HHISLBIBJALRRL-BJDJZHNGSA-N 2 0 212.337 1.413 20 0 BDADRP CCO[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H]([NH3+])C2)C1 ZINC001578097679 984848685 /nfs/dbraw/zinc/84/86/85/984848685.db2.gz HHISLBIBJALRRL-DDHJBXDOSA-N 2 0 212.337 1.413 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)[C@H]1OC ZINC001578148618 984854071 /nfs/dbraw/zinc/85/40/71/984854071.db2.gz DMQFLCLGLOIWNP-OBPIAQAESA-N 2 0 242.363 1.038 20 0 BDADRP CCO[C@@H]1CCC[C@H]1[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001578151631 984858642 /nfs/dbraw/zinc/85/86/42/984858642.db2.gz WUFQJKIQLAHRET-UASOCQBVSA-N 2 0 224.348 1.413 20 0 BDADRP CC[C@H]1[NH2+]CC[C@@H]1[NH2+]CC[C@@H]1CCOC1 ZINC001578242016 984894171 /nfs/dbraw/zinc/89/41/71/984894171.db2.gz XDVSATOSYPPHKP-UTUOFQBUSA-N 2 0 212.337 1.143 20 0 BDADRP CC[C@H]1[NH2+]CC[C@@H]1[NH2+][C@H]1CCO[C@@H](C)C1 ZINC001578241574 984894253 /nfs/dbraw/zinc/89/42/53/984894253.db2.gz BVDLSOAUGIDSEZ-YFKTTZPYSA-N 2 0 212.337 1.284 20 0 BDADRP CC[C@H]1[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCSC1 ZINC001578242049 984894611 /nfs/dbraw/zinc/89/46/11/984894611.db2.gz YOKDAOWCICUWJA-MXWKQRLJSA-N 2 0 214.378 1.470 20 0 BDADRP CCc1ccc2c(c1)CC[N@@H+](C[C@@H](O)CC[NH3+])C2 ZINC001578263713 984914880 /nfs/dbraw/zinc/91/48/80/984914880.db2.gz UANCUJZWJBKDFZ-HNNXBMFYSA-N 2 0 248.370 1.317 20 0 BDADRP CCc1nn(C)c(CC)c1CNC(C)(C)C[NH3+] ZINC001578298771 984962339 /nfs/dbraw/zinc/96/23/39/984962339.db2.gz AZSAOOYYWHVQKW-UHFFFAOYSA-N 2 0 238.379 1.372 20 0 BDADRP CCn1cnc(Cl)c1C[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC001578357164 985000719 /nfs/dbraw/zinc/00/07/19/985000719.db2.gz NZWVYFFQWNPLOR-KYZUINATSA-N 2 0 242.754 1.383 20 0 BDADRP CCn1ccc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)n1 ZINC001578354151 985001234 /nfs/dbraw/zinc/00/12/34/985001234.db2.gz ZRMBUPGLDAEPMX-NWDGAFQWSA-N 2 0 236.363 1.320 20 0 BDADRP CC[C@@H](C)NC(=[NH2+])SCCSC(N)=[NH2+] ZINC001257430759 985003039 /nfs/dbraw/zinc/00/30/39/985003039.db2.gz HLTMNSWAJBGBNG-ZCFIWIBFSA-N 2 0 234.394 1.669 20 0 BDADRP CN(C)c1cc[nH+]c(CNC[C@@H]2CCC[NH2+]C2)c1 ZINC001578429341 985059139 /nfs/dbraw/zinc/05/91/39/985059139.db2.gz VJHBOSQAFDTQER-GFCCVEGCSA-N 2 0 248.374 1.237 20 0 BDADRP C[N@@H+](CC1=CCSC1)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578445847 985077851 /nfs/dbraw/zinc/07/78/51/985077851.db2.gz XARNMCZZXWVGND-CMPLNLGQSA-N 2 0 226.389 1.719 20 0 BDADRP C[N@H+](CCCCCC[NH3+])Cc1ccc(=O)[nH]c1 ZINC001578465883 985097176 /nfs/dbraw/zinc/09/71/76/985097176.db2.gz TWBIFPNIBZJGLC-UHFFFAOYSA-N 2 0 237.347 1.738 20 0 BDADRP CN(CCC[NH+]1CCCCC1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578468298 985099451 /nfs/dbraw/zinc/09/94/51/985099451.db2.gz PIPDPPJDXAECQQ-WDNDVIMCSA-N 2 0 237.391 1.012 20 0 BDADRP CO[C@@H]1CCC[N@H+](C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000691985183 985108305 /nfs/dbraw/zinc/10/83/05/985108305.db2.gz JYAIXOYTKROGDR-ZIAGYGMSSA-N 2 0 240.391 1.877 20 0 BDADRP C[N@@H+](Cc1cccc(O)c1)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578493094 985119698 /nfs/dbraw/zinc/11/96/98/985119698.db2.gz DABMGAWOZBWRDK-QWHCGFSZSA-N 2 0 234.343 1.951 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3CC[C@@H](C[NH3+])C3)[C@@H]2C1 ZINC001578520784 985142575 /nfs/dbraw/zinc/14/25/75/985142575.db2.gz GNJWRIOZZTVYHJ-ITGHMWBKSA-N 3 0 237.391 1.044 20 0 BDADRP C[N@@H+]1CCC[C@H](NC[C@@H]2CCCCC[NH2+]2)C1 ZINC001578528491 985151805 /nfs/dbraw/zinc/15/18/05/985151805.db2.gz IBFZXSBRAMSIMY-STQMWFEESA-N 2 0 225.380 1.202 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1CNC[C@@H]([NH3+])CC(F)F ZINC001578528540 985153975 /nfs/dbraw/zinc/15/39/75/985153975.db2.gz IWDXJHKFAUDOIX-VHSXEESVSA-N 2 0 235.322 1.043 20 0 BDADRP C[NH+](C)C1(C)CC[NH+](CCC2OCCO2)CC1 ZINC000686604478 985157057 /nfs/dbraw/zinc/15/70/57/985157057.db2.gz QVUFUPZJIGMGNM-UHFFFAOYSA-N 2 0 242.363 1.166 20 0 BDADRP CN1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578529722 985160356 /nfs/dbraw/zinc/16/03/56/985160356.db2.gz YQQSQUYPRTXUGH-REWJHTLYSA-N 2 0 237.391 1.282 20 0 BDADRP CN1CC[C@@H]2C[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]21 ZINC001578540968 985174424 /nfs/dbraw/zinc/17/44/24/985174424.db2.gz IUTNWTAEQDBISK-IWNKAIHXSA-N 2 0 249.402 1.153 20 0 BDADRP C[NH2+]C[C@H](O)C[N@H+](C)C[C@H]1CCCC[C@H]1C ZINC001578652176 985259954 /nfs/dbraw/zinc/25/99/54/985259954.db2.gz FWYVCEYMVVEWSW-UPJWGTAASA-N 2 0 228.380 1.325 20 0 BDADRP C[NH2+]C[C@@H](O)C[N@H+](CCC1CC1)CC1CC1 ZINC001578652641 985261867 /nfs/dbraw/zinc/26/18/67/985261867.db2.gz LOXGITLFKUXOBX-CYBMUJFWSA-N 2 0 226.364 1.079 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](CC[C@H](O)C(C)C)C1 ZINC001578656433 985269551 /nfs/dbraw/zinc/26/95/51/985269551.db2.gz IWBYACLFZIWTDK-STQMWFEESA-N 2 0 228.380 1.325 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+]([C@@H]1CCCSC1)CC2 ZINC001257681648 985270689 /nfs/dbraw/zinc/27/06/89/985270689.db2.gz RZKBFLTWGUYEFD-GFCCVEGCSA-N 2 0 240.416 1.910 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@H+](C[C@]2(C)CCCCO2)C1 ZINC001578657301 985275412 /nfs/dbraw/zinc/27/54/12/985275412.db2.gz UVANSRMGNNFYOJ-KGLIPLIRSA-N 2 0 240.391 1.877 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](CC2(O)CCCCCC2)C1 ZINC001578663559 985283538 /nfs/dbraw/zinc/28/35/38/985283538.db2.gz FPOCWJSFGUFWNO-CYBMUJFWSA-N 2 0 240.391 1.613 20 0 BDADRP C[NH2+]CC[C@@H]1CCCC[N@@H+]1C[C@H](O)C1CC1 ZINC001578677148 985290534 /nfs/dbraw/zinc/29/05/34/985290534.db2.gz XEBWEQRIOIMSFT-STQMWFEESA-N 2 0 226.364 1.221 20 0 BDADRP C[NH2+]CCC[N@@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001578687239 985293945 /nfs/dbraw/zinc/29/39/45/985293945.db2.gz SIJDXNQYEKKYFI-BDAKNGLRSA-N 2 0 204.264 1.183 20 0 BDADRP C[NH2+]CCCN1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001578686938 985297711 /nfs/dbraw/zinc/29/77/11/985297711.db2.gz DYJMFLJMQULLAU-CYBMUJFWSA-N 2 0 248.374 1.202 20 0 BDADRP C[NH2+]CCC[NH2+][C@H]1CCC[C@H](SC)C1 ZINC001578691187 985300085 /nfs/dbraw/zinc/30/00/85/985300085.db2.gz MBKPPJYNMALGFY-QWRGUYRKSA-N 2 0 216.394 1.860 20 0 BDADRP COC(=O)C1(C[N@H+](C)CC[C@H]([NH3+])C(C)C)CC1 ZINC001578781342 985348304 /nfs/dbraw/zinc/34/83/04/985348304.db2.gz OFHBKLGPBPAZIL-NSHDSACASA-N 2 0 242.363 1.245 20 0 BDADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC001578831990 985406988 /nfs/dbraw/zinc/40/69/88/985406988.db2.gz CQTKEKDRJPKCIV-YYJSSNLHSA-N 2 0 240.347 1.188 20 0 BDADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])C2)C1 ZINC001578833605 985408135 /nfs/dbraw/zinc/40/81/35/985408135.db2.gz ZYKWPDKETAPBMU-USZNOCQGSA-N 2 0 240.347 1.045 20 0 BDADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC001578833598 985409457 /nfs/dbraw/zinc/40/94/57/985409457.db2.gz ZWKRXVMZIUGTHO-WYUUTHIRSA-N 2 0 240.347 1.188 20 0 BDADRP C[C@H]1COC[C@@H]1[NH2+]CC(C)(C)C[NH+](C)C ZINC000687974832 985432660 /nfs/dbraw/zinc/43/26/60/985432660.db2.gz RVJIPPXUJMUGNU-QWRGUYRKSA-N 2 0 214.353 1.199 20 0 BDADRP C[C@@H]1COC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000688003947 985474338 /nfs/dbraw/zinc/47/43/38/985474338.db2.gz AVEWWLGKHXSYJY-JVGWCMFKSA-N 2 0 224.348 1.236 20 0 BDADRP CO[C@@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(C)C1)C1CCC1 ZINC001578908961 985502060 /nfs/dbraw/zinc/50/20/60/985502060.db2.gz NKKSODFEHGIKQN-RDBSUJKOSA-N 2 0 238.375 1.343 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H]2COC[C@@H]2C)CC1 ZINC000688041934 985511163 /nfs/dbraw/zinc/51/11/63/985511163.db2.gz DYZYQMWJIIGYFY-WCQYABFASA-N 2 0 226.364 1.343 20 0 BDADRP CO[C@H](C[NH2+][C@H](C)CC[NH3+])CC(C)C ZINC001578912885 985513471 /nfs/dbraw/zinc/51/34/71/985513471.db2.gz OIILNVCVCVRNLN-MNOVXSKESA-N 2 0 202.342 1.374 20 0 BDADRP CO[C@@H](C[NH2+][C@@H]1CC12CC[NH2+]CC2)CC(C)C ZINC001578912961 985515450 /nfs/dbraw/zinc/51/54/50/985515450.db2.gz PIYKKGVIDHCVJQ-CHWSQXEVSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H]1COC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000688046315 985528651 /nfs/dbraw/zinc/52/86/51/985528651.db2.gz BEPMYGLSYCJRJD-WZRBSPASSA-N 2 0 224.348 1.095 20 0 BDADRP COC1CC(C[NH2+][C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001578935331 985540341 /nfs/dbraw/zinc/54/03/41/985540341.db2.gz CXUXJHRXTUDLAE-XKVACCQBSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@@H]1COC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000688053430 985544891 /nfs/dbraw/zinc/54/48/91/985544891.db2.gz NUJGDQGUDAVCPG-NDBYEHHHSA-N 2 0 224.348 1.238 20 0 BDADRP CO[C@H]1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C1 ZINC001578939189 985551690 /nfs/dbraw/zinc/55/16/90/985551690.db2.gz YAINQGKBZYCDBO-WRWGMCAJSA-N 2 0 212.337 1.413 20 0 BDADRP COCC[C@@H]([NH3+])C[NH2+]C[C@H](OC)C(C)(C)C ZINC001579000929 985641057 /nfs/dbraw/zinc/64/10/57/985641057.db2.gz DABPMWHNAMXBCK-MNOVXSKESA-N 2 0 232.368 1.001 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+]CC1CCCCC1 ZINC001579003309 985659020 /nfs/dbraw/zinc/65/90/20/985659020.db2.gz DZGFLZRBDXCYGQ-LBPRGKRZSA-N 2 0 214.353 1.520 20 0 BDADRP COCC[C@@H]([NH3+])C[NH2+]C[C@H](C)c1ccccn1 ZINC001579003060 985661103 /nfs/dbraw/zinc/66/11/03/985661103.db2.gz XISIKYNTZVQJFC-NWDGAFQWSA-N 2 0 237.347 1.139 20 0 BDADRP COCC[C@@H]([NH3+])C[NH2+]C[C@@H]1CCCC1(C)C ZINC001579003237 985663622 /nfs/dbraw/zinc/66/36/22/985663622.db2.gz CNVHEDWHGOGTRO-NWDGAFQWSA-N 2 0 228.380 1.766 20 0 BDADRP CO[C@H]1CCCC[C@@H]1[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001579130549 985807555 /nfs/dbraw/zinc/80/75/55/985807555.db2.gz UIXXEHMELXAKQO-DEZFMIAVSA-N 2 0 224.348 1.413 20 0 BDADRP COc1cc(CC[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)ccn1 ZINC001579148464 985814762 /nfs/dbraw/zinc/81/47/62/985814762.db2.gz BYSBCCNZOTZFGC-NEPJUHHUSA-N 2 0 249.358 1.348 20 0 BDADRP C[S@](=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)C1 ZINC001579355639 985854909 /nfs/dbraw/zinc/85/49/09/985854909.db2.gz NYWCVRBTXYKGAZ-GTXQXIFRSA-N 2 0 244.404 1.003 20 0 BDADRP C[S@](=O)[C@H]1CC[C@@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC001579356401 985857760 /nfs/dbraw/zinc/85/77/60/985857760.db2.gz WPNXPWUYVLVHEU-NRPWHTSWSA-N 2 0 244.404 1.146 20 0 BDADRP C[S@](=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC001579356273 985858065 /nfs/dbraw/zinc/85/80/65/985858065.db2.gz VJCMDKVIAFLWHP-JBBSTSQOSA-N 2 0 244.404 1.018 20 0 BDADRP CS[C@H]1CC[C@H]1N[C@H]1CC[NH2+][C@@H]1C ZINC001579366921 985860098 /nfs/dbraw/zinc/86/00/98/985860098.db2.gz GOCWBDGHMZUXFU-RGOKHQFPSA-N 2 0 200.351 1.220 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC001579454659 985940844 /nfs/dbraw/zinc/94/08/44/985940844.db2.gz TVIOAQQXCCMHBY-RQJABVFESA-N 2 0 238.375 1.485 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC001579454661 985940973 /nfs/dbraw/zinc/94/09/73/985940973.db2.gz TVIOAQQXCCMHBY-ZOBORPQBSA-N 2 0 238.375 1.485 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)CCO1 ZINC001579470870 985974029 /nfs/dbraw/zinc/97/40/29/985974029.db2.gz KVAVJNHNBUCSTA-YVECIDJPSA-N 2 0 224.348 1.367 20 0 BDADRP C[C@@H](Cc1cccnc1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC001258610085 985985540 /nfs/dbraw/zinc/98/55/40/985985540.db2.gz DEECSDMXUMHLEH-FPMFFAJLSA-N 2 0 233.359 1.872 20 0 BDADRP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(=O)[nH]c1 ZINC001276346751 986037634 /nfs/dbraw/zinc/03/76/34/986037634.db2.gz IJZIVXDCQDMKNK-YHWZYXNKSA-N 2 0 247.342 1.502 20 0 BDADRP C[C@H]1[C@@H](O)CCC[N@@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC001579506159 986050885 /nfs/dbraw/zinc/05/08/85/986050885.db2.gz CVYBCHVAHNSZCQ-XQQFMLRXSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@H]1[C@@H](O)CC[N@@H+]1Cc1ccc(C[NH3+])cc1 ZINC001579507932 986053357 /nfs/dbraw/zinc/05/33/57/986053357.db2.gz NUKCUQJLMATPRU-GWCFXTLKSA-N 2 0 220.316 1.100 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)CC(C)C)[C@@H](C)C1 ZINC000305135519 986079553 /nfs/dbraw/zinc/07/95/53/986079553.db2.gz OJWDJLQDNIQFOR-MJBXVCDLSA-N 2 0 242.407 1.713 20 0 BDADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H]2C[C@H]2[NH3+])c1 ZINC001579593067 986101972 /nfs/dbraw/zinc/10/19/72/986101972.db2.gz UKZHVFJVXLHWMO-QWHCGFSZSA-N 2 0 247.342 1.342 20 0 BDADRP Cc1ccc(C[C@H](C)[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC001579684593 986178264 /nfs/dbraw/zinc/17/82/64/986178264.db2.gz MERFMGHSVMDQDU-NWANDNLSSA-N 2 0 248.370 1.096 20 0 BDADRP Cc1cccc2c1C[C@@H]([NH2+]C1CC([NH3+])C1)CO2 ZINC001579776181 986221016 /nfs/dbraw/zinc/22/10/16/986221016.db2.gz JDLBAJWHKMXZAE-HTAVTVPLSA-N 2 0 232.327 1.378 20 0 BDADRP Cc1ccccc1[C@@H](C)[N@H+](C)C[C@H](O)CC[NH3+] ZINC001579806732 986226456 /nfs/dbraw/zinc/22/64/56/986226456.db2.gz JWLFLOXNMLAKGP-CHWSQXEVSA-N 2 0 236.359 1.698 20 0 BDADRP Cc1nn(C)cc1C[NH2+]C[C@@H]1CCC[NH2+]CC1 ZINC001579893331 986310263 /nfs/dbraw/zinc/31/02/63/986310263.db2.gz UNSYUQDSTWIDEG-GFCCVEGCSA-N 2 0 236.363 1.208 20 0 BDADRP Cn1cncc1C[N@@H+]1C[C@@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001579985982 986390857 /nfs/dbraw/zinc/39/08/57/986390857.db2.gz QTHZAXVMSXOQDX-GXTWGEPZSA-N 2 0 248.374 1.371 20 0 BDADRP FC1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000689414325 986589442 /nfs/dbraw/zinc/58/94/42/986589442.db2.gz ZVSIEKQRAOAQHN-NSHDSACASA-N 2 0 214.328 1.810 20 0 BDADRP [NH3+][C@@H](C[NH2+][C@@H](CO)CC1CCC1)CC(F)F ZINC001580133013 986602391 /nfs/dbraw/zinc/60/23/91/986602391.db2.gz SRXBCDUUERUEJS-NXEZZACHSA-N 2 0 236.306 1.110 20 0 BDADRP [NH3+]C1(C[NH2+][C@@H]2CC[C@@H]3CCC[C@H]23)CCOCC1 ZINC001580152295 986624147 /nfs/dbraw/zinc/62/41/47/986624147.db2.gz DQXNIGPTORTSFZ-RWMBFGLXSA-N 2 0 238.375 1.663 20 0 BDADRP [NH3+][C@H]1CC12CC([NH2+][C@H](CO)CC1CCC1)C2 ZINC001580163830 986632363 /nfs/dbraw/zinc/63/23/63/986632363.db2.gz DEBIRNPOUXOJNX-QCXCNERSSA-N 2 0 224.348 1.007 20 0 BDADRP [NH3+][C@H]1CC12CC([NH2+]CC[C@H]1CCCOC1)C2 ZINC001580163860 986636442 /nfs/dbraw/zinc/63/64/42/986636442.db2.gz FAHVSQZKXUXIGQ-IGJPJIBNSA-N 2 0 224.348 1.273 20 0 BDADRP [NH3+][C@H]1CC12CC([NH2+][C@@H](CO)CC1CCC1)C2 ZINC001580163829 986638406 /nfs/dbraw/zinc/63/84/06/986638406.db2.gz DEBIRNPOUXOJNX-IGJPJIBNSA-N 2 0 224.348 1.007 20 0 BDADRP [NH3+]C1CC([NH2+][C@H]2c3ccccc3CC[C@H]2O)C1 ZINC001580165846 986642376 /nfs/dbraw/zinc/64/23/76/986642376.db2.gz MVMCRIXTIDBUDO-QUINOFQRSA-N 2 0 232.327 1.114 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+][C@H]1CCCSC1)C2 ZINC001580166991 986644467 /nfs/dbraw/zinc/64/44/67/986644467.db2.gz SCSFILGOKPNANE-QPBDYMMBSA-N 2 0 212.362 1.351 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH+]2CCC[C@]3(CCO3)C2)CC1 ZINC001254527547 986669571 /nfs/dbraw/zinc/66/95/71/986669571.db2.gz ZRKJEXCYPTZQFI-KBPBESRZSA-N 2 0 238.375 1.726 20 0 BDADRP [NH3+]C[C@@H]1CCCC[N@H+](Cc2ccoc2)C1 ZINC000379950482 986688861 /nfs/dbraw/zinc/68/88/61/986688861.db2.gz DZXYRAADYZSBSQ-NSHDSACASA-N 2 0 208.305 1.840 20 0 BDADRP [NH3+]CC1(C[NH2+][C@H](CCO)C2CCCC2)CCC1 ZINC001580244119 986695417 /nfs/dbraw/zinc/69/54/17/986695417.db2.gz PQZYQLPSOASDTA-CYBMUJFWSA-N 2 0 240.391 1.646 20 0 BDADRP [NH3+]CC1(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)CC1 ZINC001580243404 986695663 /nfs/dbraw/zinc/69/56/63/986695663.db2.gz FPCYYJLDNCYUOY-GFCCVEGCSA-N 2 0 246.358 1.395 20 0 BDADRP [NH3+]C[C@@]12C[N@H+](C[C@H](O)C3CC3)C[C@@H]1CCCC2 ZINC001580256017 986712752 /nfs/dbraw/zinc/71/27/52/986712752.db2.gz PFMIULJBGMVPTH-IHRRRGAJSA-N 2 0 238.375 1.208 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cn(C3CC3)cn2)C1 ZINC001580286549 986733279 /nfs/dbraw/zinc/73/32/79/986733279.db2.gz JDVSWFJFQUQDGW-LBPRGKRZSA-N 2 0 248.374 1.779 20 0 BDADRP [NH3+]CCCOCC[NH2+]Cc1cccc2[nH]ccc21 ZINC001580301029 986735801 /nfs/dbraw/zinc/73/58/01/986735801.db2.gz MGRYFFZJCDWLSC-UHFFFAOYSA-N 2 0 247.342 1.623 20 0 BDADRP [NH3+]CCC[N@@H+]1CCC[C@H]1COc1ccccc1 ZINC001580298602 986735814 /nfs/dbraw/zinc/73/58/14/986735814.db2.gz OXPZTFZSUMSSAK-ZDUSSCGKSA-N 2 0 234.343 1.879 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc1 ZINC001580339925 986784506 /nfs/dbraw/zinc/78/45/06/986784506.db2.gz WPVMKYHLQMIBJR-SEBNEYGDSA-N 2 0 244.338 1.411 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CCCOCC2)C1 ZINC001580389472 986816848 /nfs/dbraw/zinc/81/68/48/986816848.db2.gz IVWYGGCJWFCQPM-QJPTWQEYSA-N 2 0 212.337 1.273 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cccc3c[nH]nc32)C1 ZINC001580422669 986838229 /nfs/dbraw/zinc/83/82/29/986838229.db2.gz CEZJAKSRYZYIAJ-PHIMTYICSA-N 2 0 216.288 1.142 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC001580421817 986839419 /nfs/dbraw/zinc/83/94/19/986839419.db2.gz QWOCBZDBVRWUAC-WWRXHXRLSA-N 2 0 236.359 1.127 20 0 BDADRP CC[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](CC)CC)C1 ZINC000384055692 986842204 /nfs/dbraw/zinc/84/22/04/986842204.db2.gz XIQQOIPWLIEJEG-ZIAGYGMSSA-N 2 0 242.407 1.811 20 0 BDADRP C[C@H]1CC[C@@H](N2CCC([NH+]3CCC3)CC2)C[NH2+]1 ZINC000700396039 986856187 /nfs/dbraw/zinc/85/61/87/986856187.db2.gz UDSVEWMQBDPUGQ-GXTWGEPZSA-N 2 0 237.391 1.297 20 0 BDADRP CN1CCC[C@@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)C1 ZINC001255469892 986973058 /nfs/dbraw/zinc/97/30/58/986973058.db2.gz GITYFWLHGHXPEM-UONOGXRCSA-N 2 0 239.407 1.402 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@@H]1CO ZINC001255958065 987099335 /nfs/dbraw/zinc/09/93/35/987099335.db2.gz YECSTJSNPVKOGO-QWHCGFSZSA-N 2 0 228.380 1.564 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N1CC(C)([NH+](C)C)C1 ZINC001255964422 987101728 /nfs/dbraw/zinc/10/17/28/987101728.db2.gz SBSGGEOIEZUADZ-CYBMUJFWSA-N 2 0 241.423 1.743 20 0 BDADRP CCCC[C@H](O)C[NH2+]C[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001245971373 987245873 /nfs/dbraw/zinc/24/58/73/987245873.db2.gz GBVMNNLEIYINPA-AVGNSLFASA-N 2 0 228.380 1.515 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+]C[C@H](O)c2ccccc2)C[NH2+]1 ZINC001245977610 987251111 /nfs/dbraw/zinc/25/11/11/987251111.db2.gz WVGLFKZNBLUKFI-IPYPFGDCSA-N 2 0 248.370 1.698 20 0 BDADRP CCCC[C@H](O)C[NH2+]C[C@@H]1CCC[NH2+][C@H]1C ZINC001245975966 987253654 /nfs/dbraw/zinc/25/36/54/987253654.db2.gz AKSBCWVRDLMQTI-AVGNSLFASA-N 2 0 228.380 1.515 20 0 BDADRP CCC[C@H](O)C[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001245979185 987259067 /nfs/dbraw/zinc/25/90/67/987259067.db2.gz IODLVEDBHJWLQR-STQMWFEESA-N 2 0 240.391 1.659 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001245981750 987261491 /nfs/dbraw/zinc/26/14/91/987261491.db2.gz QLMKHIDYWOMFLN-QWHCGFSZSA-N 2 0 240.391 1.515 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](C[NH2+]C[C@@H](O)C(C)(C)C)C1 ZINC001245989846 987265329 /nfs/dbraw/zinc/26/53/29/987265329.db2.gz HDSHKLKIOUSHMY-SDDRHHMPSA-N 2 0 228.380 1.229 20 0 BDADRP CCCCOC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC001245984017 987266975 /nfs/dbraw/zinc/26/69/75/987266975.db2.gz LQXATBLBJWZHDK-JHJVBQTASA-N 2 0 244.379 1.024 20 0 BDADRP CCCCC[C@@H](O)C[NH2+]CC[C@H](C)[NH3+] ZINC001246000064 987285277 /nfs/dbraw/zinc/28/52/77/987285277.db2.gz KNSCZNUADDTEPP-WDEREUQCSA-N 2 0 202.342 1.255 20 0 BDADRP CC(C)(C)OC[C@@H](O)C[NH2+][C@H]1CCCC[C@H]1[NH3+] ZINC001246010625 987290047 /nfs/dbraw/zinc/29/00/47/987290047.db2.gz CAHWOFOMTCWYAZ-TUAOUCFPSA-N 2 0 244.379 1.022 20 0 BDADRP [NH3+][C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC001246021124 987305165 /nfs/dbraw/zinc/30/51/65/987305165.db2.gz VIPNVLIBEFZNLE-HZSPNIEDSA-N 2 0 234.343 1.580 20 0 BDADRP CC(C)(C)[C@@H](O)C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246019622 987305696 /nfs/dbraw/zinc/30/56/96/987305696.db2.gz GPHXRWJDZACERQ-JSGCOSHPSA-N 2 0 242.407 1.844 20 0 BDADRP CC1(C)[C@H]([NH2+]CCCF)[C@@H]2CCC[NH2+][C@@H]21 ZINC000693760790 987314970 /nfs/dbraw/zinc/31/49/70/987314970.db2.gz MKPCKRIZOGOSEO-OUAUKWLOSA-N 2 0 214.328 1.712 20 0 BDADRP CCCC[C@H](O)C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246028361 987323865 /nfs/dbraw/zinc/32/38/65/987323865.db2.gz BFWUWWBTXDDOIV-STQMWFEESA-N 2 0 228.380 1.598 20 0 BDADRP CC(C)[C@H](O)C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246027701 987324536 /nfs/dbraw/zinc/32/45/36/987324536.db2.gz YGXAODZFSLFGDB-CHWSQXEVSA-N 2 0 226.364 1.221 20 0 BDADRP CCC[C@H](O)C[N@@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001246031909 987331180 /nfs/dbraw/zinc/33/11/80/987331180.db2.gz RJBKLDCTWJBMQW-UPJWGTAASA-N 2 0 228.380 1.454 20 0 BDADRP C[NH2+]CCN[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246073187 987359045 /nfs/dbraw/zinc/35/90/45/987359045.db2.gz QNDHELLWLDCQTK-HUUCEWRRSA-N 2 0 247.386 1.159 20 0 BDADRP Cc1cccc(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)c1 ZINC001246073103 987359609 /nfs/dbraw/zinc/35/96/09/987359609.db2.gz UISSKKPRAXNSAZ-CQSZACIVSA-N 2 0 245.370 1.179 20 0 BDADRP [NH3+]C[C@H](N[C@H]1CCCC[NH2+]C1)c1ccccc1 ZINC001246074277 987363709 /nfs/dbraw/zinc/36/37/09/987363709.db2.gz CDTPKLZBIVRPKZ-KBPBESRZSA-N 2 0 233.359 1.418 20 0 BDADRP CC[NH+](CC)CCCNC1=[NH+]CCCCN1 ZINC000697706956 987364007 /nfs/dbraw/zinc/36/40/07/987364007.db2.gz OWRIKXRQUFNBKT-UHFFFAOYSA-N 2 0 226.368 1.047 20 0 BDADRP C[C@@H]1CC[C@H](CNC2C[C@@H](C)[NH2+][C@H](C)C2)C[NH2+]1 ZINC001246078325 987366917 /nfs/dbraw/zinc/36/69/17/987366917.db2.gz AHRGTXPTCKMFOK-LPWJVIDDSA-N 2 0 239.407 1.493 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000697862480 987367566 /nfs/dbraw/zinc/36/75/66/987367566.db2.gz MRUMHBDZVVHTKG-RVMXOQNASA-N 2 0 208.349 1.703 20 0 BDADRP CC[C@H](C)C[C@H]([NH3+])C(=O)NCC[NH+](CC)CC ZINC000400770757 987368842 /nfs/dbraw/zinc/36/88/42/987368842.db2.gz CJSJUUCPSLOFAZ-RYUDHWBXSA-N 2 0 243.395 1.208 20 0 BDADRP CC[C@@H]1C[C@H](N[C@H]2CC[C@H](C)[NH2+]C2)CC[NH2+]1 ZINC001246080403 987371216 /nfs/dbraw/zinc/37/12/16/987371216.db2.gz NTOZMNZDOXKJQD-LOWDOPEQSA-N 2 0 225.380 1.247 20 0 BDADRP CCCC[C@H](CC)[NH2+][C@@H](C)CN1CC[NH2+]CC1 ZINC001246079183 987371494 /nfs/dbraw/zinc/37/14/94/987371494.db2.gz JHSOZXFCJXJOEE-KBPBESRZSA-N 2 0 241.423 1.839 20 0 BDADRP CCOCC[C@@H](C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246090656 987371573 /nfs/dbraw/zinc/37/15/73/987371573.db2.gz LOLHBSHSICMXRF-NEPJUHHUSA-N 2 0 214.353 1.533 20 0 BDADRP CC[C@@H](C)OCC[C@H](C)[NH2+]C1CC[NH2+]CC1 ZINC001246080270 987373404 /nfs/dbraw/zinc/37/34/04/987373404.db2.gz QMVSTDDDQYAZQG-NWDGAFQWSA-N 2 0 228.380 1.922 20 0 BDADRP C[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)O1 ZINC000699213588 987374242 /nfs/dbraw/zinc/37/42/42/987374242.db2.gz ZZWFEVBMFXJQGM-LSPKCERGSA-N 2 0 238.375 1.626 20 0 BDADRP Cc1cncc(CN[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC001246084292 987381921 /nfs/dbraw/zinc/38/19/21/987381921.db2.gz YOHRQOWEGCPIGN-AAEUAGOBSA-N 2 0 219.332 1.620 20 0 BDADRP Cc1ccc(C[NH3+])nc1N(C)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246086502 987383842 /nfs/dbraw/zinc/38/38/42/987383842.db2.gz CODZTIGSSQLJFC-WCQYABFASA-N 2 0 248.374 1.425 20 0 BDADRP Cc1ccc(C[NH3+])nc1N(C)[C@H]1CCC[NH2+]C1 ZINC001246088495 987390232 /nfs/dbraw/zinc/39/02/32/987390232.db2.gz KCAUAWSUXVPINQ-LBPRGKRZSA-N 2 0 234.347 1.037 20 0 BDADRP COC(=O)CC[C@H](C)[NH2+]C[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246089400 987392559 /nfs/dbraw/zinc/39/25/59/987392559.db2.gz CUGLZIUCMOGRMQ-GRYCIOLGSA-N 2 0 242.363 1.306 20 0 BDADRP C[C@@H]1CC[C@H](NC[C@@]2(C)CCCC[NH2+]C2)C[NH2+]1 ZINC001246089896 987393481 /nfs/dbraw/zinc/39/34/81/987393481.db2.gz HOADMGCJHFHSQR-RDBSUJKOSA-N 2 0 239.407 1.496 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N[C@H]1CC[NH2+]C[C@@H]1F ZINC001246090281 987394539 /nfs/dbraw/zinc/39/45/39/987394539.db2.gz DRJPCFJTWGECBJ-AGIUHOORSA-N 2 0 245.386 1.396 20 0 BDADRP C[C@@H]1CC[C@@H](CN[C@H]2CCCC[NH2+]C2)C[NH2+]1 ZINC001246089686 987395499 /nfs/dbraw/zinc/39/54/99/987395499.db2.gz CZWZLKKXQDCGNF-UPJWGTAASA-N 2 0 225.380 1.106 20 0 BDADRP CC[C@@H]1CC(N[C@@]2(C)CC[NH2+]C2)C[C@@H](CC)[NH2+]1 ZINC001246092024 987397079 /nfs/dbraw/zinc/39/70/79/987397079.db2.gz BPIJZABICUZEKO-BZPMIXESSA-N 2 0 239.407 1.637 20 0 BDADRP C[C@@]1(C[NH2+]C2CC[NH2+]CC2)CCC[NH2+]CC1 ZINC001246091999 987398447 /nfs/dbraw/zinc/39/84/47/987398447.db2.gz BUJSMRSDJDEPNU-CYBMUJFWSA-N 3 0 225.380 1.108 20 0 BDADRP C1C[C@@H]2C[C@H](N[C@@H]3CCCC[NH2+]C3)C[C@H](C1)[NH2+]2 ZINC001246093448 987403255 /nfs/dbraw/zinc/40/32/55/987403255.db2.gz WRVVNSWAURSDCL-RQJABVFESA-N 2 0 237.391 1.391 20 0 BDADRP COC(=O)CC[C@H](C)[NH2+]C[C@H]1C[NH2+]C[C@H](C)C1 ZINC001246098115 987415024 /nfs/dbraw/zinc/41/50/24/987415024.db2.gz JGEBHXFABRMSLA-GRYCIOLGSA-N 2 0 242.363 1.163 20 0 BDADRP C[C@@H]1CC[C@H](N[C@]2(C)CCC[NH2+]CC2)C[NH2+]1 ZINC001246100092 987420014 /nfs/dbraw/zinc/42/00/14/987420014.db2.gz LJRSEDWPAKTZOH-FRRDWIJNSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](C[NH2+][C@H]2CCCOC2)C1 ZINC001246099661 987420265 /nfs/dbraw/zinc/42/02/65/987420265.db2.gz MGMAEDHOTSTBQF-SRVKXCTJSA-N 2 0 212.337 1.001 20 0 BDADRP C(C[NH2+]C1CC[NH2+]CC1)CC1CC[NH2+]CC1 ZINC001246101806 987424445 /nfs/dbraw/zinc/42/44/45/987424445.db2.gz BDMKBRAQTXFWKI-UHFFFAOYSA-N 3 0 225.380 1.108 20 0 BDADRP C[C@H]1CC[C@@H](CNC2CC[NH+](C)CC2)C[NH2+]1 ZINC001246103826 987426378 /nfs/dbraw/zinc/42/63/78/987426378.db2.gz XZMLHHNOYXPHGC-NWDGAFQWSA-N 2 0 225.380 1.058 20 0 BDADRP C[NH2+]C1CCC([NH2+][C@@H]2CNCC[C@H]2C)CC1 ZINC001246103073 987426959 /nfs/dbraw/zinc/42/69/59/987426959.db2.gz SQJYVHQPTCOALI-IKWCTNDRSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@]1(N[C@@H]2CCCC[NH2+]C2)CCC[NH2+]CC1 ZINC001246103514 987428873 /nfs/dbraw/zinc/42/88/73/987428873.db2.gz VQKMXCMPDXHHDY-OLZOCXBDSA-N 2 0 225.380 1.250 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@@H](F)C2)CC[NH2+]1 ZINC001246102930 987430724 /nfs/dbraw/zinc/43/07/24/987430724.db2.gz UHCMVHZKZVOGRJ-DBIOUOCHSA-N 2 0 200.301 1.607 20 0 BDADRP C[C@@H]1CC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)[NH2+]C1 ZINC001246105453 987431709 /nfs/dbraw/zinc/43/17/09/987431709.db2.gz BMYMXJBHQSAZBO-JABUTEAWSA-N 2 0 237.391 1.247 20 0 BDADRP C[C@H]1CC[C@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)[NH2+]C1 ZINC001246105465 987432377 /nfs/dbraw/zinc/43/23/77/987432377.db2.gz BMYMXJBHQSAZBO-UKIXVXPJSA-N 2 0 237.391 1.247 20 0 BDADRP C[C@H]1CC[C@H]([NH2+]CCCC2CC[NH2+]CC2)CN1 ZINC001246105428 987433680 /nfs/dbraw/zinc/43/36/80/987433680.db2.gz MMJQFBFHVIJOCJ-JSGCOSHPSA-N 2 0 239.407 1.496 20 0 BDADRP C[NH2+]C1CCC([NH2+]C[C@H]2CC[C@H](C)C[NH2+]2)CC1 ZINC001246107426 987437749 /nfs/dbraw/zinc/43/77/49/987437749.db2.gz GTJZIVFDLIOTOP-GFJIZPEISA-N 3 0 239.407 1.495 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCCC2CC[NH2+]CC2)CC[NH2+]1 ZINC001246106303 987438714 /nfs/dbraw/zinc/43/87/14/987438714.db2.gz PKEOJITZFBLBBC-JSGCOSHPSA-N 3 0 239.407 1.496 20 0 BDADRP C[C@@H]1CC[C@H](NC[C@@H]2CCC[NH2+][C@@H]2C)C[NH2+]1 ZINC001246109653 987441259 /nfs/dbraw/zinc/44/12/59/987441259.db2.gz KJWFJTIKEBRHEH-NDBYEHHHSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1CC[C@@H](CN[C@H]2CCCC[NH2+]C2)[NH2+]C1 ZINC001246113330 987451703 /nfs/dbraw/zinc/45/17/03/987451703.db2.gz NTWNODWCEZWJBV-AGIUHOORSA-N 2 0 225.380 1.106 20 0 BDADRP C[C@@H]1CC[C@@H](CN[C@@H]2CCC[NH2+]CC2)[NH2+]C1 ZINC001246113954 987451744 /nfs/dbraw/zinc/45/17/44/987451744.db2.gz OKVDFTAZQWZHBV-UPJWGTAASA-N 2 0 225.380 1.106 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+][C@H]1COC(C)(C)C1 ZINC001246115280 987453841 /nfs/dbraw/zinc/45/38/41/987453841.db2.gz YKKMTKGSUYJFAZ-QJPTWQEYSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@H]1C[NH2+]CCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246117097 987460603 /nfs/dbraw/zinc/46/06/03/987460603.db2.gz IGWQXYIZXUNWRE-BEUHCMRWSA-N 2 0 237.391 1.247 20 0 BDADRP C[C@@H](Cc1ccncc1)N[C@H]1CCC[NH2+]C1 ZINC001246120020 987462807 /nfs/dbraw/zinc/46/28/07/987462807.db2.gz JLYACPYJRAJHQG-AAEUAGOBSA-N 2 0 219.332 1.354 20 0 BDADRP C[C@@H]1CC[C@@H](NC[C@@H]2CCCC[NH2+]C2)C[NH2+]1 ZINC001246117897 987463017 /nfs/dbraw/zinc/46/30/17/987463017.db2.gz MVXFCOIYMFJOBR-JHJVBQTASA-N 2 0 225.380 1.106 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC001246119212 987463207 /nfs/dbraw/zinc/46/32/07/987463207.db2.gz IVNHUAVSJSCIEC-ZOBORPQBSA-N 2 0 240.391 1.779 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246120099 987464357 /nfs/dbraw/zinc/46/43/57/987464357.db2.gz LCCHRGOYZWIYTR-AVGNSLFASA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1C[C@@H](N(CC[NH3+])Cc2ccccc2)CC[NH2+]1 ZINC001246132507 987481506 /nfs/dbraw/zinc/48/15/06/987481506.db2.gz YPJXPCBPKKATLC-HIFRSBDPSA-N 2 0 247.386 1.588 20 0 BDADRP CCCC[C@@H]1C[C@@H](N[C@@H]2C[NH2+]C[C@H]2F)CC[NH2+]1 ZINC001246131162 987481695 /nfs/dbraw/zinc/48/16/95/987481695.db2.gz VTVWROHYPLUBCO-YVECIDJPSA-N 2 0 243.370 1.197 20 0 BDADRP C1CC2(C[C@H]1[NH2+][C@@H]1CCCOC1)CC[NH2+]CC2 ZINC001246137661 987491719 /nfs/dbraw/zinc/49/17/19/987491719.db2.gz WZEVRFLUHNLVQB-QWHCGFSZSA-N 2 0 238.375 1.677 20 0 BDADRP C1[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C12CC[NH2+]CC2 ZINC001246139894 987497263 /nfs/dbraw/zinc/49/72/63/987497263.db2.gz XMXWLVZIVQCIIF-HNGCFSAESA-N 3 0 235.375 1.001 20 0 BDADRP C([NH2+][C@H]1C[C@H]2C[C@H]2C1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001246143353 987497425 /nfs/dbraw/zinc/49/74/25/987497425.db2.gz JUWAOVMHYJCGIR-RFQIPJPRSA-N 2 0 249.402 1.249 20 0 BDADRP CCCC(CCC)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@@H]1COC2 ZINC001246146599 987503044 /nfs/dbraw/zinc/50/30/44/987503044.db2.gz GRSIGJUKFZWSEZ-IMRBUKKESA-N 2 0 240.391 1.779 20 0 BDADRP CCCCCC[C@@H](C)[NH2+][C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001246149854 987508729 /nfs/dbraw/zinc/50/87/29/987508729.db2.gz VEPAZWVWQPZOER-YIYPIFLZSA-N 2 0 240.391 1.922 20 0 BDADRP CC[NH+](CC)CCCC[NH2+][C@H]1CCCNC1 ZINC001246160985 987520659 /nfs/dbraw/zinc/52/06/59/987520659.db2.gz IDBBJMDRNUYIMU-ZDUSSCGKSA-N 2 0 227.396 1.450 20 0 BDADRP CCC[NH+](CCC)CCN[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246161007 987522596 /nfs/dbraw/zinc/52/25/96/987522596.db2.gz IFIPBOMVTOWBEN-ZIAGYGMSSA-N 2 0 241.423 1.839 20 0 BDADRP CC(C)[C@@H]1C[C@H](NC[C@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001246171018 987532749 /nfs/dbraw/zinc/53/27/49/987532749.db2.gz VPQRERAYULSEQX-MCIONIFRSA-N 2 0 239.407 1.495 20 0 BDADRP CC(C)N(CCC[NH3+])[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246173188 987537841 /nfs/dbraw/zinc/53/78/41/987537841.db2.gz QYODCBYOFIIZFD-NEPJUHHUSA-N 2 0 213.369 1.186 20 0 BDADRP [NH3+]Cc1cccc(N[C@H]2CCC[NH2+]C2)c1 ZINC001246175748 987541897 /nfs/dbraw/zinc/54/18/97/987541897.db2.gz AWTCHAPTMXOOLH-LBPRGKRZSA-N 2 0 205.305 1.309 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CCCCC[NH+](C)C)CN1 ZINC001246174811 987542033 /nfs/dbraw/zinc/54/20/33/987542033.db2.gz XFHVDXSBHKUTDI-OLZOCXBDSA-N 2 0 227.396 1.448 20 0 BDADRP CCCN(CCC[NH3+])[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246179745 987549236 /nfs/dbraw/zinc/54/92/36/987549236.db2.gz RIPQYUKTGJBPIQ-RYUDHWBXSA-N 2 0 213.369 1.188 20 0 BDADRP COCC(C)(C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246179824 987549490 /nfs/dbraw/zinc/54/94/90/987549490.db2.gz RIKSOFJOSFLXNQ-ZACCUICWSA-N 2 0 212.337 1.284 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC23CC[NH2+]CC3)CN1 ZINC001246184487 987559254 /nfs/dbraw/zinc/55/92/54/987559254.db2.gz SKZLXBOEAFBPBA-JHJVBQTASA-N 2 0 237.391 1.106 20 0 BDADRP CC(C)(C)[C@@H]1C[C@@H](NC[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC001246188426 987570482 /nfs/dbraw/zinc/57/04/82/987570482.db2.gz XBJQETFGDJIMSF-XQQFMLRXSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H]1CC[C@@H](N[C@@H]2CCC[N@H+](C)CC2)C[NH2+]1 ZINC001246190067 987579746 /nfs/dbraw/zinc/57/97/46/987579746.db2.gz OTEGNHNIELYWQX-JHJVBQTASA-N 2 0 225.380 1.201 20 0 BDADRP CCCC[C@@H]1C[C@@H](NC[C@H]2CC[NH2+]2)CC[NH2+]1 ZINC001246195571 987582847 /nfs/dbraw/zinc/58/28/47/987582847.db2.gz XYGXEDGDEFFXNI-FRRDWIJNSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@H]1C[C@H](n2cc3cc(C[NH3+])ccc3n2)CC[NH2+]1 ZINC001246195218 987586217 /nfs/dbraw/zinc/58/62/17/987586217.db2.gz LHVDKSRVEZIOAL-GXFFZTMASA-N 2 0 244.342 1.808 20 0 BDADRP C([NH2+][C@H]1CCC2(C1)CC[NH2+]CC2)[C@@H]1CCC[NH2+]1 ZINC001246195316 987587757 /nfs/dbraw/zinc/58/77/57/987587757.db2.gz RDZWDXJNSUMNPH-STQMWFEESA-N 3 0 237.391 1.250 20 0 BDADRP C[C@@H]1CC[C@H](n2cc3cc(C[NH3+])ccc3n2)C[NH2+]1 ZINC001246199697 987594027 /nfs/dbraw/zinc/59/40/27/987594027.db2.gz XJRIQYDACDHYHF-MFKMUULPSA-N 2 0 244.342 1.808 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]CCCC[NH2+]C)C[C@H](CC)[NH2+]1 ZINC001246204174 987598074 /nfs/dbraw/zinc/59/80/74/987598074.db2.gz PGJUMWLLAVHYRQ-BTTYYORXSA-N 3 0 241.423 1.885 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CN1 ZINC001246203459 987598155 /nfs/dbraw/zinc/59/81/55/987598155.db2.gz AVMBQERDJZMAAZ-SYQHCUMBSA-N 2 0 239.407 1.482 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2C[C@@H]3C=C[C@H](C2)O3)C1 ZINC001246204306 987600427 /nfs/dbraw/zinc/60/04/27/987600427.db2.gz DWHOAAVRVMZBSZ-XQHREUISSA-N 2 0 222.332 1.332 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CC[C@@H]([NH3+])CC2)CC[NH2+]1 ZINC001246202088 987600705 /nfs/dbraw/zinc/60/07/05/987600705.db2.gz MNPKQCOQGUBJDS-YIYPIFLZSA-N 3 0 239.407 1.624 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CC[NH2+]1 ZINC001246208001 987603651 /nfs/dbraw/zinc/60/36/51/987603651.db2.gz ZTXZGTVCQIOMQC-XDQVBPFNSA-N 2 0 239.407 1.482 20 0 BDADRP CC[C@H]1C[C@H](NC[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246216426 987613554 /nfs/dbraw/zinc/61/35/54/987613554.db2.gz JDNRTJROLKEMOC-RWMBFGLXSA-N 2 0 225.380 1.106 20 0 BDADRP NC(=[NH2+])N(c1ccccc1F)C1CC[NH2+]CC1 ZINC001246215596 987614438 /nfs/dbraw/zinc/61/44/38/987614438.db2.gz ULQLMOUNTXWTNP-UHFFFAOYSA-N 2 0 236.294 1.278 20 0 BDADRP [NH3+]CC[C@@H]1CN(C2CC[NH2+]CC2)c2ccccc21 ZINC001246226180 987622116 /nfs/dbraw/zinc/62/21/16/987622116.db2.gz AFUCUCLLELHJTF-GFCCVEGCSA-N 2 0 245.370 1.691 20 0 BDADRP C[C@@H]1CC[C@H](n2cnc3ccc(C[NH3+])cc32)C[NH2+]1 ZINC001246228067 987626394 /nfs/dbraw/zinc/62/63/94/987626394.db2.gz DDDFKSBWHVPSCH-PWSUYJOCSA-N 2 0 244.342 1.808 20 0 BDADRP C(C[C@@H]1CCC[NH2+]C1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246229496 987626766 /nfs/dbraw/zinc/62/67/66/987626766.db2.gz JVVNRDNNHSNANO-STQMWFEESA-N 2 0 225.380 1.108 20 0 BDADRP O=C1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246232882 987628310 /nfs/dbraw/zinc/62/83/10/987628310.db2.gz SSDOUCUQVWSZPL-FOSCPWQOSA-N 2 0 222.332 1.371 20 0 BDADRP CCOC(CC[NH2+]C1CC[NH2+]CC1)OCC ZINC001246231460 987628393 /nfs/dbraw/zinc/62/83/93/987628393.db2.gz MLWCTMHMEOTVEO-UHFFFAOYSA-N 2 0 230.352 1.117 20 0 BDADRP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](O)CC2)CC[NH2+]1 ZINC001246231234 987628774 /nfs/dbraw/zinc/62/87/74/987628774.db2.gz PBWNDLQJLXEMIG-FIQHERPVSA-N 2 0 212.337 1.020 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCOc2cccnc2)CC[NH2+]1 ZINC001246232860 987629597 /nfs/dbraw/zinc/62/95/97/987629597.db2.gz SGHPWVSVQYDBLD-RYUDHWBXSA-N 2 0 235.331 1.191 20 0 BDADRP C[C@@H]1C[C@@H](N[C@H]2CCCC[C@@H]2[NH+](C)C)CC[NH2+]1 ZINC001246235140 987631771 /nfs/dbraw/zinc/63/17/71/987631771.db2.gz IYKRAHFEQCHQRH-RFGFWPKPSA-N 2 0 239.407 1.589 20 0 BDADRP [NH3+]Cc1cccc2cnn([C@H]3CCC[NH2+]C3)c21 ZINC001246240786 987642674 /nfs/dbraw/zinc/64/26/74/987642674.db2.gz ONOXYQPNRAKXEK-LBPRGKRZSA-N 2 0 230.315 1.420 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C)NC1)C1CC[NH2+]CC1 ZINC001246251992 987652051 /nfs/dbraw/zinc/65/20/51/987652051.db2.gz PWIYDUBDPYDVJC-NTZNESFSSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1C[C@@H](N[C@@H](C[NH3+])Cc2ccccc2)CC[NH2+]1 ZINC001246265309 987659996 /nfs/dbraw/zinc/65/99/96/987659996.db2.gz IXBFGBXEBLVBBT-VHDGCEQUSA-N 2 0 247.386 1.287 20 0 BDADRP CCC[NH2+]CCNC1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246267350 987661657 /nfs/dbraw/zinc/66/16/57/987661657.db2.gz GIPFCUMSHHSEMY-QWRGUYRKSA-N 2 0 213.369 1.105 20 0 BDADRP C[C@H]1C[C@H](NC(C)(C)CC[NH+](C)C)CC[NH2+]1 ZINC001246270008 987665240 /nfs/dbraw/zinc/66/52/40/987665240.db2.gz ZVBGIFIOZXMCIC-NWDGAFQWSA-N 2 0 227.396 1.447 20 0 BDADRP CCC[NH2+]CC[NH2+]C1CCC2(CC[NH2+]C2)CC1 ZINC001246269831 987665358 /nfs/dbraw/zinc/66/53/58/987665358.db2.gz LMOIAWNRHQZPCF-UHFFFAOYSA-N 3 0 239.407 1.498 20 0 BDADRP CCC[NH2+]CC[NH2+][C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246269828 987665648 /nfs/dbraw/zinc/66/56/48/987665648.db2.gz LLJFTNVBBTWYOM-KGLIPLIRSA-N 3 0 239.407 1.498 20 0 BDADRP CC[C@@H]1C[C@@H](N[C@@H]2CCC[C@H]2[NH3+])C[C@H](CC)[NH2+]1 ZINC001246279325 987671882 /nfs/dbraw/zinc/67/18/82/987671882.db2.gz MQIIKAYRXCSHRA-XVIXHAIJSA-N 2 0 239.407 1.765 20 0 BDADRP [NH3+]CC1(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCC1 ZINC001246278430 987672107 /nfs/dbraw/zinc/67/21/07/987672107.db2.gz GUXJELWTSVSUEC-FOSCPWQOSA-N 2 0 223.364 1.131 20 0 BDADRP COC(=O)[C@@H]1CC[C@H](N[C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC001246279922 987672188 /nfs/dbraw/zinc/67/21/88/987672188.db2.gz OFKDVKFOWMWQFX-WYUUTHIRSA-N 2 0 240.347 1.058 20 0 BDADRP C[NH2+]CC[C@H](C)NCC1([NH3+])CCCCC1 ZINC001246280685 987675332 /nfs/dbraw/zinc/67/53/32/987675332.db2.gz VHTKUINIXZMOND-NSHDSACASA-N 2 0 213.369 1.236 20 0 BDADRP C1CC([NH+]2CCC(NC3CC[NH2+]CC3)CC2)C1 ZINC001246278247 987673060 /nfs/dbraw/zinc/67/30/60/987673060.db2.gz UIAVTRKFNXVZTE-UHFFFAOYSA-N 2 0 237.391 1.345 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCN(C)CC[NH3+])CC(C)(C)C1 ZINC001246283314 987679161 /nfs/dbraw/zinc/67/91/61/987679161.db2.gz HKNLNKIAGCFIST-OLZOCXBDSA-N 2 0 241.423 1.681 20 0 BDADRP C[C@H]1CC(NC[C@@H]2CCCC[NH2+]2)C[C@H](C)[NH2+]1 ZINC001246285592 987679537 /nfs/dbraw/zinc/67/95/37/987679537.db2.gz HGKXAYNSUWIMAD-SRVKXCTJSA-N 2 0 225.380 1.247 20 0 BDADRP CC1(C)C[C@@H]([NH2+]C2CC[NH2+]CC2)C(C)(C)N1O ZINC001246291987 987683225 /nfs/dbraw/zinc/68/32/25/987683225.db2.gz VUIJXZBPYYGRND-LLVKDONJSA-N 2 0 241.379 1.349 20 0 BDADRP [NH3+][C@@H](CNC1CC[NH2+]CC1)c1ccccc1 ZINC001246292739 987687202 /nfs/dbraw/zinc/68/72/02/987687202.db2.gz PVRKMLOHHLRJAM-ZDUSSCGKSA-N 2 0 219.332 1.028 20 0 BDADRP CC[NH+](CC)C1CCC([NH2+]CC[C@H](C)[NH3+])CC1 ZINC001246298878 987693139 /nfs/dbraw/zinc/69/31/39/987693139.db2.gz CZHFQSHCHPUOKY-HSBZDZAISA-N 3 0 241.423 1.966 20 0 BDADRP C[NH2+]CC[C@H](C)NC[C@@H]([NH3+])Cc1ccccc1 ZINC001246298742 987693506 /nfs/dbraw/zinc/69/35/06/987693506.db2.gz DXFLUMICZZZYPU-JSGCOSHPSA-N 2 0 235.375 1.144 20 0 BDADRP CC[N@H+](CCCO)CC1CC[NH+](CC)CC1 ZINC001474351234 987694961 /nfs/dbraw/zinc/69/49/61/987694961.db2.gz GVVDFCJXCNBPEZ-UHFFFAOYSA-N 2 0 228.380 1.423 20 0 BDADRP C[C@@H](CC[NH3+])N[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246300372 987698438 /nfs/dbraw/zinc/69/84/38/987698438.db2.gz NGACYALOXLAGGP-QWHCGFSZSA-N 2 0 239.407 1.768 20 0 BDADRP CCOC(=O)CCC[C@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC001246303723 987701925 /nfs/dbraw/zinc/70/19/25/987701925.db2.gz IXGBLEWZPCVWRS-QWRGUYRKSA-N 2 0 230.352 1.435 20 0 BDADRP CC[C@@H]1C[C@H](NCC[C@H](C)[NH3+])C[C@H](CC)[NH2+]1 ZINC001246306661 987703864 /nfs/dbraw/zinc/70/38/64/987703864.db2.gz RHFBROUPAIWLTA-WUHRBBMRSA-N 2 0 227.396 1.623 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246309278 987709758 /nfs/dbraw/zinc/70/97/58/987709758.db2.gz JFCKSJWLHNKXFH-YVECIDJPSA-N 2 0 227.396 1.478 20 0 BDADRP COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC001246310889 987710911 /nfs/dbraw/zinc/71/09/11/987710911.db2.gz OKVQYXWYCJDLFY-YFKTTZPYSA-N 2 0 240.347 1.058 20 0 BDADRP CC[C@H]([NH3+])CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001246309888 987711279 /nfs/dbraw/zinc/71/12/79/987711279.db2.gz BJDBRTZAECGEGB-WODVXLOZSA-N 2 0 225.380 1.329 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246311659 987711650 /nfs/dbraw/zinc/71/16/50/987711650.db2.gz QQNRCQQTEOOBQF-RYUDHWBXSA-N 2 0 227.396 1.480 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001246316391 987719364 /nfs/dbraw/zinc/71/93/64/987719364.db2.gz ZFNPHNPHLQFBCO-GFCCVEGCSA-N 3 0 248.374 1.377 20 0 BDADRP CC[C@H]([NH3+])CNC1CC[NH+](CC(C)C)CC1 ZINC001246315919 987722136 /nfs/dbraw/zinc/72/21/36/987722136.db2.gz XSDDBYOJTGXRKQ-LBPRGKRZSA-N 2 0 227.396 1.434 20 0 BDADRP C[NH2+]Cc1cccc(CN[C@@H]2C[NH2+][C@H](C)C2)c1 ZINC001246324256 987731280 /nfs/dbraw/zinc/73/12/80/987731280.db2.gz KDUGDDJSFVPWMF-RISCZKNCSA-N 2 0 233.359 1.246 20 0 BDADRP C[C@H]1[NH2+]CCC[C@@H]1N[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246324891 987731917 /nfs/dbraw/zinc/73/19/17/987731917.db2.gz IRMDQGFUYDGLOQ-WOPDTQHZSA-N 2 0 225.380 1.247 20 0 BDADRP CC(C)([NH2+]C1CC[NH2+]CC1)c1ccncc1 ZINC001246329546 987735650 /nfs/dbraw/zinc/73/56/50/987735650.db2.gz QQWVEYYWLGAFEN-UHFFFAOYSA-N 2 0 219.332 1.658 20 0 BDADRP CC(=O)CC(C)(C)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC001246329054 987735960 /nfs/dbraw/zinc/73/59/60/987735960.db2.gz NBBBENUCEBTESN-MWLCHTKSSA-N 2 0 212.337 1.474 20 0 BDADRP CC(=O)CC(C)(C)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC001246329053 987736066 /nfs/dbraw/zinc/73/60/66/987736066.db2.gz NBBBENUCEBTESN-KOLCDFICSA-N 2 0 212.337 1.474 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N[C@H]2C[NH2+]CC[C@@H]2C)CC[NH2+]1 ZINC001246332720 987739547 /nfs/dbraw/zinc/73/95/47/987739547.db2.gz SPTMQABKVNIHCT-XUXIUFHCSA-N 2 0 239.407 1.351 20 0 BDADRP C[C@@H]1C[C@H](NC(C)(C)C(C)(C)[NH3+])CC[NH2+]1 ZINC001246336016 987746948 /nfs/dbraw/zinc/74/69/48/987746948.db2.gz NKRBZNOSNLKCRI-NXEZZACHSA-N 2 0 213.369 1.232 20 0 BDADRP COC(CCC[NH2+][C@H]1CC[NH2+][C@@H](C)C1)OC ZINC001246342455 987752176 /nfs/dbraw/zinc/75/21/76/987752176.db2.gz OWPXGMDAPAEACE-QWRGUYRKSA-N 2 0 230.352 1.116 20 0 BDADRP c1ccc2c(c1)CC[C@@H](C[NH2+]C1CC[NH2+]CC1)N2 ZINC001246344684 987752284 /nfs/dbraw/zinc/75/22/84/987752284.db2.gz CKFJTVHBPSBVDB-AWEZNQCLSA-N 2 0 245.370 1.755 20 0 BDADRP CCCC[C@@H]1C[C@@H](NC2(C[NH3+])CCC2)CC[NH2+]1 ZINC001246349664 987759329 /nfs/dbraw/zinc/75/93/29/987759329.db2.gz BXMWVYGTPXNFOO-OLZOCXBDSA-N 2 0 239.407 1.768 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N[C@@H]1CCC[NH2+]C1 ZINC001246351283 987759363 /nfs/dbraw/zinc/75/93/63/987759363.db2.gz UCFNBFRUWIUIGH-QWHCGFSZSA-N 2 0 227.396 1.448 20 0 BDADRP C[C@H]1CC[C@H](NCC[C@H]2CCC[N@@H+]2C)C[NH2+]1 ZINC001246357812 987764065 /nfs/dbraw/zinc/76/40/65/987764065.db2.gz ARYLRDCYZFVYER-RWMBFGLXSA-N 2 0 225.380 1.201 20 0 BDADRP C[NH2+]CC[C@@H](C)[NH2+]CCCc1cccc(N)c1 ZINC001246355066 987764249 /nfs/dbraw/zinc/76/42/49/987764249.db2.gz HKCUJVREOPAFAE-GFCCVEGCSA-N 2 0 235.375 1.789 20 0 BDADRP C[C@H]1C[C@H](Nc2cccc(CC[NH3+])c2)CC[NH2+]1 ZINC001246362994 987768226 /nfs/dbraw/zinc/76/82/26/987768226.db2.gz JSFJPFYUWZJYNT-SMDDNHRTSA-N 2 0 233.359 1.740 20 0 BDADRP CCC(CC)[N@@H+]1CC[C@H](N[C@H]2CCC[NH2+]C2)C1 ZINC001246365456 987771053 /nfs/dbraw/zinc/77/10/53/987771053.db2.gz XHYKJXJVESITTR-STQMWFEESA-N 2 0 239.407 1.591 20 0 BDADRP C[NH+](C)[C@H]1CC[C@H]([NH2+]C2CC[NH2+]CC2)CC1 ZINC001246367003 987772515 /nfs/dbraw/zinc/77/25/15/987772515.db2.gz LMVFOVNDQXIZIF-AULYBMBSSA-N 3 0 225.380 1.201 20 0 BDADRP [NH3+]C1(CC2CC2)CCN(C2CC[NH2+]CC2)CC1 ZINC001246375551 987776131 /nfs/dbraw/zinc/77/61/31/987776131.db2.gz IJQCSKFKCNHNKJ-UHFFFAOYSA-N 2 0 237.391 1.332 20 0 BDADRP C(C1CC1)C1(N[C@@H]2CCC[NH2+]C2)CC[NH2+]CC1 ZINC001246381857 987776176 /nfs/dbraw/zinc/77/61/76/987776176.db2.gz SMBLQFGQJKFTOK-CYBMUJFWSA-N 2 0 237.391 1.250 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246371752 987777038 /nfs/dbraw/zinc/77/70/38/987777038.db2.gz JPYROPPBZWWNRA-HNGCFSAESA-N 2 0 237.391 1.247 20 0 BDADRP CC1(C)C[C@@H](C[NH2+]C2CC[NH2+]CC2)CCO1 ZINC001246374425 987777315 /nfs/dbraw/zinc/77/73/15/987777315.db2.gz VDJQIOXMWBVEHG-NSHDSACASA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C(C)(C)C(C)(C)O)CC[NH2+]1 ZINC001246391615 987780918 /nfs/dbraw/zinc/78/09/18/987780918.db2.gz SAMQUXQPLPPWJO-ZJUUUORDSA-N 2 0 214.353 1.266 20 0 BDADRP CC[C@@H]1CC[C@H]([NH2+]CCCC[C@H]([NH3+])C(N)=O)C1 ZINC001246407751 987787997 /nfs/dbraw/zinc/78/79/97/987787997.db2.gz ZJMYFCAULFHAJS-WOPDTQHZSA-N 2 0 241.379 1.138 20 0 BDADRP CSC(C)(C)C[C@H](C)[NH2+]CCNCC[NH3+] ZINC001246403824 987788798 /nfs/dbraw/zinc/78/87/98/987788798.db2.gz IFZIIQINPITQGN-JTQLQIEISA-N 2 0 233.425 1.045 20 0 BDADRP CC(C)C[NH+]1CCC(N[C@@H]2CC23C[NH2+]C3)CC1 ZINC001246443461 987794349 /nfs/dbraw/zinc/79/43/49/987794349.db2.gz HDVZBAVEPXQEOI-CYBMUJFWSA-N 2 0 237.391 1.058 20 0 BDADRP CC(C)COCC[C@@H](C)[NH2+][C@@H]1CC12C[NH2+]C2 ZINC001246444335 987798607 /nfs/dbraw/zinc/79/86/07/987798607.db2.gz KHLQUCOHVOTJDU-VXGBXAGGSA-N 2 0 226.364 1.389 20 0 BDADRP Cc1cccc(C2(C[NH2+]C3CC[NH2+]CC3)CC2)n1 ZINC001246440482 987798712 /nfs/dbraw/zinc/79/87/12/987798712.db2.gz UQUSJTXUOQBBRJ-UHFFFAOYSA-N 2 0 245.370 1.763 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N[C@H]1CC12C[NH2+]C2 ZINC001246442523 987798721 /nfs/dbraw/zinc/79/87/21/987798721.db2.gz CYIKVORTDVDBPH-NEPJUHHUSA-N 2 0 225.380 1.058 20 0 BDADRP CC[C@@H](Cc1ccccc1)[NH2+][C@H]1CC12C[NH2+]C2 ZINC001246442799 987800304 /nfs/dbraw/zinc/80/03/04/987800304.db2.gz DWJUTXREBLMLJE-KBPBESRZSA-N 2 0 230.355 1.959 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N[C@H]1CC12C[NH2+]C2 ZINC001246442528 987800686 /nfs/dbraw/zinc/80/06/86/987800686.db2.gz CYIKVORTDVDBPH-RYUDHWBXSA-N 2 0 225.380 1.058 20 0 BDADRP Cc1ccc(C[C@H](C)[NH2+][C@@H]2CC23C[NH2+]C3)cc1 ZINC001246448390 987805033 /nfs/dbraw/zinc/80/50/33/987805033.db2.gz YHLVGCZMIFPSOK-GXTWGEPZSA-N 2 0 230.355 1.878 20 0 BDADRP CCCC[C@@H]1C[C@@H](N[C@@H]2CC23C[NH2+]C3)CC[NH2+]1 ZINC001246446665 987806695 /nfs/dbraw/zinc/80/66/95/987806695.db2.gz SSRLKUAGJWBDNT-FRRDWIJNSA-N 2 0 237.391 1.249 20 0 BDADRP C[C@H](Cc1ccco1)[NH2+]CCCNCCC[NH3+] ZINC001246454321 987808478 /nfs/dbraw/zinc/80/84/78/987808478.db2.gz RSFUGZLBFPHPDB-GFCCVEGCSA-N 2 0 239.363 1.129 20 0 BDADRP COc1ccc(N[C@H]2CC[C@@H](C)[NH2+]C2)cc1C[NH3+] ZINC001246453929 987810025 /nfs/dbraw/zinc/81/00/25/987810025.db2.gz RFCVIQCUGURTTI-MFKMUULPSA-N 2 0 249.358 1.706 20 0 BDADRP CC(C)[NH2+]CCN[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246454479 987810459 /nfs/dbraw/zinc/81/04/59/987810459.db2.gz UNRNEVHKYXBTPG-CHWSQXEVSA-N 2 0 241.423 1.741 20 0 BDADRP CCC[C@@]1(CN[C@H]2CC[NH2+][C@H](CC)C2)CC[NH2+]1 ZINC001246454584 987810842 /nfs/dbraw/zinc/81/08/42/987810842.db2.gz CLFACPLKSMXXLN-RDBSUJKOSA-N 2 0 239.407 1.639 20 0 BDADRP CC(C)[NH2+]CC[NH2+][C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246455546 987812234 /nfs/dbraw/zinc/81/22/34/987812234.db2.gz XOWHAMHGNHADCE-KBPBESRZSA-N 3 0 239.407 1.496 20 0 BDADRP CC[C@@]1(CNC2C[C@H](C)[NH2+][C@@H](C)C2)CCC[NH2+]1 ZINC001246456827 987812907 /nfs/dbraw/zinc/81/29/07/987812907.db2.gz OUPMNXYTBCOMFW-OBJOEFQTSA-N 2 0 239.407 1.637 20 0 BDADRP C[C@@]1([NH3+])C[C@H]([NH2+][C@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246458500 987815335 /nfs/dbraw/zinc/81/53/35/987815335.db2.gz GXWTWSNLTWHYDZ-RWMBFGLXSA-N 3 0 237.391 1.378 20 0 BDADRP CCCC[C@@H](C)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246459492 987816668 /nfs/dbraw/zinc/81/66/68/987816668.db2.gz AQBGQVLGAGMSTC-VXGBXAGGSA-N 2 0 225.380 1.249 20 0 BDADRP CC[C@@H]1CC(N[C@H]2C[C@@](C)([NH3+])C2)C[C@@H](CC)[NH2+]1 ZINC001246460768 987818396 /nfs/dbraw/zinc/81/83/96/987818396.db2.gz NCVUOHOASWTGHL-OXHZDVMGSA-N 2 0 239.407 1.765 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)C1 ZINC001246477310 987835482 /nfs/dbraw/zinc/83/54/82/987835482.db2.gz NWARXFLDHBVNSZ-RHYQMDGZSA-N 2 0 214.328 1.712 20 0 BDADRP C[C@H]1CC([NH2+][C@H]2CCCC[C@H]2[NH3+])C[C@H](C)O1 ZINC001246480499 987838536 /nfs/dbraw/zinc/83/85/36/987838536.db2.gz ZMUQVPVEIZUOEL-DJIHRAIXSA-N 2 0 226.364 1.802 20 0 BDADRP [NH3+]C[C@H]1Cc2ccccc2CN1C1CC[NH2+]CC1 ZINC001246485497 987840308 /nfs/dbraw/zinc/84/03/08/987840308.db2.gz UXUMQZWFQZPOBH-OAHLLOKOSA-N 2 0 245.370 1.124 20 0 BDADRP CC(C)[C@@H]1C[C@H](N[C@@H]2C[NH2+]CC[C@@H]2F)CC[NH2+]1 ZINC001246481719 987841147 /nfs/dbraw/zinc/84/11/47/987841147.db2.gz JZJRQLMLBRJPPO-MROQNXINSA-N 2 0 243.370 1.053 20 0 BDADRP C[NH2+][C@H]1C[C@@H]([NH2+]C2CCC3(CC[NH2+]C3)CC2)C1 ZINC001246489917 987844699 /nfs/dbraw/zinc/84/46/99/987844699.db2.gz BWHICGSHPFRRFT-AKJUYKBHSA-N 3 0 237.391 1.249 20 0 BDADRP COC(=O)[C@H]1CC[C@H]([NH2+][C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246499423 987852366 /nfs/dbraw/zinc/85/23/66/987852366.db2.gz YDLHFUPTYDIEFY-RHYQMDGZSA-N 2 0 240.347 1.058 20 0 BDADRP CC[C@@H]1C[C@H](NC23CC([NH3+])(C2)C3)C[C@H](CC)[NH2+]1 ZINC001246500441 987856213 /nfs/dbraw/zinc/85/62/13/987856213.db2.gz ICPWICHCNLSIRU-NWFMMLNOSA-N 2 0 237.391 1.519 20 0 BDADRP CC(C)N([C@H]1CC[C@@H](C)[NH2+]C1)C(C)(C)C[NH3+] ZINC001246501737 987856910 /nfs/dbraw/zinc/85/69/10/987856910.db2.gz CQJIZIOKLWSHPI-NEPJUHHUSA-N 2 0 227.396 1.575 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C[C@@H](CO)c2ccccc2)CC[NH2+]1 ZINC001246506129 987858484 /nfs/dbraw/zinc/85/84/84/987858484.db2.gz VQDLVXDLCCDSOO-AEGPPILISA-N 2 0 248.370 1.493 20 0 BDADRP CC(C)N([C@@H]1CC[NH2+][C@@H](C)C1)C(C)(C)C[NH3+] ZINC001246506293 987859909 /nfs/dbraw/zinc/85/99/09/987859909.db2.gz ZODASEZHOGCGHX-NWDGAFQWSA-N 2 0 227.396 1.575 20 0 BDADRP C[C@H]1C[C@H](N[C@H](C[NH3+])c2ccccc2)C[NH2+]1 ZINC001246506734 987860404 /nfs/dbraw/zinc/86/04/04/987860404.db2.gz JKEFVYGXBQDUCC-WCFLWFBJSA-N 2 0 219.332 1.026 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)c2ccccc2)CC[NH2+]1 ZINC001246506132 987860527 /nfs/dbraw/zinc/86/05/27/987860527.db2.gz VQDLVXDLCCDSOO-VHDGCEQUSA-N 2 0 248.370 1.493 20 0 BDADRP C[C@@H]1C[C@H](N[C@H](C2CCC2)C2C[NH2+]C2)CC[NH2+]1 ZINC001246513321 987861522 /nfs/dbraw/zinc/86/15/22/987861522.db2.gz COMUAJFBBCBSOJ-LERXQTSPSA-N 2 0 237.391 1.105 20 0 BDADRP CC(C)(C)[C@@H]1C[C@H](NCC2([NH3+])CCC2)CC[NH2+]1 ZINC001246510981 987862923 /nfs/dbraw/zinc/86/29/23/987862923.db2.gz OFTGCSWXEJYCNP-NEPJUHHUSA-N 2 0 239.407 1.624 20 0 BDADRP CC[C@@H]1C[C@@H](NCC2([NH3+])CCC2)C[C@H](CC)[NH2+]1 ZINC001246509909 987863475 /nfs/dbraw/zinc/86/34/75/987863475.db2.gz KPUOMGOGRQOFQT-CLLJXQQHSA-N 2 0 239.407 1.767 20 0 BDADRP CC[NH+](CC)CCN(C)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246519566 987866589 /nfs/dbraw/zinc/86/65/89/987866589.db2.gz CFXGITMYMIWLER-QWHCGFSZSA-N 2 0 227.396 1.401 20 0 BDADRP C[NH2+]CCN(C)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246521638 987870262 /nfs/dbraw/zinc/87/02/62/987870262.db2.gz DBDDNKAEMFFWOH-VXGBXAGGSA-N 2 0 227.396 1.304 20 0 BDADRP C1C[NH2+]C[C@@H](N2CC[C@H]3OCCC[C@@H]3C2)C1 ZINC001246524525 987875731 /nfs/dbraw/zinc/87/57/31/987875731.db2.gz GIEPHFQGXATFSD-FRRDWIJNSA-N 2 0 224.348 1.239 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N1CC[C@](C)([NH3+])C1 ZINC001246529845 987888054 /nfs/dbraw/zinc/88/80/54/987888054.db2.gz MFDVCQAABHPFQZ-OLZOCXBDSA-N 2 0 227.396 1.530 20 0 BDADRP N[C@@H]1C[N@@H+]([C@H]2CCC[C@@]3(CC[NH2+]C3)C2)CC12CC2 ZINC001246535038 987893980 /nfs/dbraw/zinc/89/39/80/987893980.db2.gz UZGZGYUIIVYCBU-BFHYXJOUSA-N 2 0 249.402 1.332 20 0 BDADRP CC[C@@H]1C[C@H]([NH+]2CCC(C[NH3+])CC2)CC[NH2+]1 ZINC001246537812 987896938 /nfs/dbraw/zinc/89/69/38/987896938.db2.gz LXLFFNMBOODNMC-CHWSQXEVSA-N 3 0 225.380 1.188 20 0 BDADRP C[C@H]1CN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@H]1C[NH3+] ZINC001246540529 987903134 /nfs/dbraw/zinc/90/31/34/987903134.db2.gz JTQYIAWLINPYRS-VJTDZRGJSA-N 3 0 237.391 1.138 20 0 BDADRP C[C@@H](Cc1cccnc1)[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246540927 987903755 /nfs/dbraw/zinc/90/37/55/987903755.db2.gz KQSHKLKVCKRRIE-SGMGOOAPSA-N 2 0 233.359 1.539 20 0 BDADRP C[C@H](Cc1ccccn1)[NH+]1CCC(C[NH3+])CC1 ZINC001246540626 987906461 /nfs/dbraw/zinc/90/64/61/987906461.db2.gz WJMMRWCMDMHWMF-GFCCVEGCSA-N 2 0 233.359 1.683 20 0 BDADRP COC(=O)CC[C@H](C)[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001246544928 987918200 /nfs/dbraw/zinc/91/82/00/987918200.db2.gz IGSXLCNXVBQSCO-QWRGUYRKSA-N 2 0 228.336 1.141 20 0 BDADRP CC1(C)C[C@H](N2CCCC[C@@H]2C[NH3+])CC[NH2+]1 ZINC001246544432 987921270 /nfs/dbraw/zinc/92/12/70/987921270.db2.gz VYMQMGKCJTVFFD-VXGBXAGGSA-N 2 0 225.380 1.330 20 0 BDADRP C[C@]1([NH3+])CCCN([C@@H]2CCC[NH2+]CC2)CC1 ZINC001246551030 987941888 /nfs/dbraw/zinc/94/18/88/987941888.db2.gz JYDQTPGYGOOANH-OLZOCXBDSA-N 2 0 225.380 1.332 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCN1C1CC[NH+](C(C)(C)C)CC1 ZINC001246551720 987951114 /nfs/dbraw/zinc/95/11/14/987951114.db2.gz VBMLETWEAOARBI-DGCLKSJQSA-N 2 0 239.407 1.671 20 0 BDADRP CC1(C)C[C@@H]([N@@H+]2CCC[C@](C)([NH3+])CC2)CO1 ZINC001246551700 987953431 /nfs/dbraw/zinc/95/34/31/987953431.db2.gz MLQZNXIRPRXCIN-YPMHNXCESA-N 2 0 226.364 1.757 20 0 BDADRP C[NH2+]C[C@@H]1CCCN(C2C[C@H](C)[NH2+][C@@H](C)C2)C1 ZINC001246554335 987960575 /nfs/dbraw/zinc/96/05/75/987960575.db2.gz ZSUGJWIEHREVLM-AVGNSLFASA-N 2 0 239.407 1.447 20 0 BDADRP C[C@@H]1CC[N@@H+]([C@H]2CCCOC2)CC[C@@H]1C[NH3+] ZINC001246555438 987968416 /nfs/dbraw/zinc/96/84/16/987968416.db2.gz FDVLLTWPBMAWRS-UPJWGTAASA-N 2 0 226.364 1.472 20 0 BDADRP C[C@@H]1CC[N@@H+]([C@H]2CCCOC2)CC[C@H]1C[NH3+] ZINC001246555432 987968437 /nfs/dbraw/zinc/96/84/37/987968437.db2.gz FDVLLTWPBMAWRS-AGIUHOORSA-N 2 0 226.364 1.472 20 0 BDADRP [NH3+]C[C@@H]1CN([C@@H]2CCCC[NH2+]C2)CCC1(F)F ZINC001246557901 987977338 /nfs/dbraw/zinc/97/73/38/987977338.db2.gz IZGIXPIYPKKOSG-GHMZBOCLSA-N 2 0 247.333 1.044 20 0 BDADRP CC[C@@H]1C[C@H](N2CCCC[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246557783 987977366 /nfs/dbraw/zinc/97/73/66/987977366.db2.gz HNQYGYQFOHOCKY-YNEHKIRRSA-N 2 0 225.380 1.330 20 0 BDADRP CC[C@@H]1C[C@H](N2C[C@@H](C)CC[C@@H]2C[NH3+])CC[NH2+]1 ZINC001246557975 987978971 /nfs/dbraw/zinc/97/89/71/987978971.db2.gz NGJVJQSEYIHYMS-REWJHTLYSA-N 2 0 239.407 1.576 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N2CC[C@@H](C)[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246561122 987989204 /nfs/dbraw/zinc/98/92/04/987989204.db2.gz IMXOAWOXLUTLCW-RQJABVFESA-N 2 0 239.407 1.432 20 0 BDADRP CC(C)CC[C@H](C)[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246561606 987993216 /nfs/dbraw/zinc/99/32/16/987993216.db2.gz QZVIKTIPKWQYLF-KBPBESRZSA-N 2 0 242.407 1.987 20 0 BDADRP CCC[C@@H](C)CC[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246561535 987995123 /nfs/dbraw/zinc/99/51/23/987995123.db2.gz VPRROJAWHZFXBC-AAVRWANBSA-N 2 0 242.407 1.985 20 0 BDADRP C[NH2+][C@@H](C)CC[NH2+]C1CCC(COC)CC1 ZINC001118058487 988001000 /nfs/dbraw/zinc/00/10/00/988001000.db2.gz KQPIVJGVTGYWNF-HIFPTAJRSA-N 2 0 228.380 1.779 20 0 BDADRP Cc1csc(CCC[NH2+][C@@H]2CCC[C@@H]2[NH3+])n1 ZINC001118058577 988001351 /nfs/dbraw/zinc/00/13/51/988001351.db2.gz LBHOLPKSIKQIRM-WDEREUQCSA-N 2 0 239.388 1.854 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2C[C@@H](CO)CC[C@H]2C)CC[NH2+]1 ZINC001246563235 988006023 /nfs/dbraw/zinc/00/60/23/988006023.db2.gz CJCGOLYJTHVKLM-NDBYEHHHSA-N 2 0 226.364 1.220 20 0 BDADRP CC1(C)C[C@H]([N@@H+]2CCC[C@@](F)(C[NH3+])CC2)CO1 ZINC001246562800 988007457 /nfs/dbraw/zinc/00/74/57/988007457.db2.gz WKQMGLKQJGZRKC-AAEUAGOBSA-N 2 0 244.354 1.707 20 0 BDADRP C[C@@H]1C[C@@H](N2CCC(F)(F)[C@H](C[NH3+])C2)CC[NH2+]1 ZINC001246562204 988008017 /nfs/dbraw/zinc/00/80/17/988008017.db2.gz YJFIFTNROVUDTA-MXWKQRLJSA-N 2 0 247.333 1.043 20 0 BDADRP C[C@H]1C[C@H](N2CCC(F)(F)[C@H](C[NH3+])C2)CC[NH2+]1 ZINC001246562203 988010396 /nfs/dbraw/zinc/01/03/96/988010396.db2.gz YJFIFTNROVUDTA-HBNTYKKESA-N 2 0 247.333 1.043 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@](O)(CF)C2)CC[NH2+]1 ZINC001246564052 988011211 /nfs/dbraw/zinc/01/12/11/988011211.db2.gz DBQVGNZHAWZGJA-FRRDWIJNSA-N 2 0 244.354 1.313 20 0 BDADRP C[C@@H]1C[N@@H+]([C@H]2CCSC2)CCC[C@H]1C[NH3+] ZINC001246563999 988015348 /nfs/dbraw/zinc/01/53/48/988015348.db2.gz DOTMTCXXTDMRRH-WOPDTQHZSA-N 2 0 228.405 1.799 20 0 BDADRP [NH3+]C[C@@]1(O)CCCC[N@@H+](C2CCCC2)C1 ZINC001246564262 988016769 /nfs/dbraw/zinc/01/67/69/988016769.db2.gz WVEQCWIUGZCKIL-LBPRGKRZSA-N 2 0 212.337 1.105 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCCC[C@@](O)(CF)C2)CC[NH2+]1 ZINC001246564053 988019010 /nfs/dbraw/zinc/01/90/10/988019010.db2.gz DBQVGNZHAWZGJA-JHJVBQTASA-N 2 0 244.354 1.313 20 0 BDADRP C[C@@H]1CC[C@H](N2CCC[C@@H](C[NH3+])[C@H](C)C2)C[NH2+]1 ZINC001246564683 988019125 /nfs/dbraw/zinc/01/91/25/988019125.db2.gz FXGNEGGAGLFIOE-MQYQWHSLSA-N 2 0 239.407 1.434 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)CC[NH2+]1 ZINC001246564972 988021553 /nfs/dbraw/zinc/02/15/53/988021553.db2.gz ZDMFORNRHUWJSW-AAVRWANBSA-N 3 0 239.407 1.434 20 0 BDADRP C[C@@H]1CC(N2CC[C@@H]([NH3+])[C@H](F)CC2)C[C@@H](C)[NH2+]1 ZINC001246566266 988024656 /nfs/dbraw/zinc/02/46/56/988024656.db2.gz FTDXMUBLKINTGQ-FPQZTECRSA-N 2 0 243.370 1.277 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC[NH2+]CC2)CCC[C@H]1C[NH3+] ZINC001246570761 988051335 /nfs/dbraw/zinc/05/13/35/988051335.db2.gz VJOFQHFFTRSHNG-NEPJUHHUSA-N 3 0 225.380 1.045 20 0 BDADRP C[N@@H+]1CCC[C@@H](N2CCCC[C@](F)(C[NH3+])C2)C1 ZINC001246573449 988067690 /nfs/dbraw/zinc/06/76/90/988067690.db2.gz COQFZENLOMTWPH-OLZOCXBDSA-N 2 0 243.370 1.234 20 0 BDADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCC[C@@H]1C[NH3+] ZINC001246573053 988073850 /nfs/dbraw/zinc/07/38/50/988073850.db2.gz YSIPBAQRBGQHTL-VXGBXAGGSA-N 2 0 226.364 1.472 20 0 BDADRP C[C@H]1C[C@H]([N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)CC[NH2+]1 ZINC001246573801 988074073 /nfs/dbraw/zinc/07/40/73/988074073.db2.gz ZDMFORNRHUWJSW-ZOBORPQBSA-N 3 0 239.407 1.434 20 0 BDADRP [NH3+][C@@H]1C[C@@H](F)CN([C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC001246576220 988082520 /nfs/dbraw/zinc/08/25/20/988082520.db2.gz FMAALFQYMBJPRC-KVSVUVNWSA-N 2 0 241.354 1.031 20 0 BDADRP C[C@@H]1C[C@@H](N2CCC[C@@](C)(C[NH3+])CC2)C[NH2+]1 ZINC001246576684 988082627 /nfs/dbraw/zinc/08/26/27/988082627.db2.gz MKXTXEJYIFMPEW-JHJVBQTASA-N 2 0 225.380 1.188 20 0 BDADRP [NH3+]C[C@]1(F)CCCCN([C@@H]2CCCOC2)C1 ZINC001246575780 988083709 /nfs/dbraw/zinc/08/37/09/988083709.db2.gz IYUXOHDWOVFCJT-VXGBXAGGSA-N 2 0 230.327 1.318 20 0 BDADRP CCCCCC[C@H](CC)[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246579726 988097753 /nfs/dbraw/zinc/09/77/53/988097753.db2.gz GTCPLXZXBROAEL-IHRRRGAJSA-N 2 0 242.407 1.987 20 0 BDADRP CCCC(CCC)[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246578670 988098009 /nfs/dbraw/zinc/09/80/09/988098009.db2.gz HEESHTSCDFQATD-JQWIXIFHSA-N 2 0 214.353 1.207 20 0 BDADRP C[NH2+]CC[C@H](C)N1CCCC[C@@](F)(C[NH3+])C1 ZINC001246579779 988099226 /nfs/dbraw/zinc/09/92/26/988099226.db2.gz LFGPLKSNNQGQTE-NWDGAFQWSA-N 2 0 231.359 1.137 20 0 BDADRP C[NH2+]CC[C@@H](C)N1CCCC[C@@](F)(C[NH3+])C1 ZINC001246579783 988100848 /nfs/dbraw/zinc/10/08/48/988100848.db2.gz LFGPLKSNNQGQTE-VXGBXAGGSA-N 2 0 231.359 1.137 20 0 BDADRP CC[C@@H]1C[C@H](N2CC[C@@H]([NH3+])[C@@H](F)CC2)CC[NH2+]1 ZINC001246578970 988105800 /nfs/dbraw/zinc/10/58/00/988105800.db2.gz CQFWDPZQIUAPOK-FVCCEPFGSA-N 2 0 243.370 1.278 20 0 BDADRP CCC1CCC([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246581793 988108646 /nfs/dbraw/zinc/10/86/46/988108646.db2.gz VDURRWJFGYBKBL-MVKMKZAISA-N 2 0 226.364 1.207 20 0 BDADRP C[C@H]1C[C@@H](CF)[N@@H+]([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246580860 988112504 /nfs/dbraw/zinc/11/25/04/988112504.db2.gz NYLGPPXPBUDYKP-QCNOEVLYSA-N 2 0 214.328 1.807 20 0 BDADRP CC1(C)C[C@H](N2CC[C@@H]([NH3+])[C@H](F)CC2)CC[NH2+]1 ZINC001246580705 988117865 /nfs/dbraw/zinc/11/78/65/988117865.db2.gz DTNIGCNYKJXUIW-IJLUTSLNSA-N 2 0 243.370 1.278 20 0 BDADRP CC[C@@H]1C[C@H]([N@@H+]2CC[C@@H](N)[C@@H](F)CC2)CCO1 ZINC001246583491 988123134 /nfs/dbraw/zinc/12/31/34/988123134.db2.gz GYSZTULAABRBSH-FVCCEPFGSA-N 2 0 244.354 1.705 20 0 BDADRP CC(C)C[C@@H](C)C[C@@H](C)[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246583030 988125200 /nfs/dbraw/zinc/12/52/00/988125200.db2.gz IJRSNOVVRGQGIN-YIYPIFLZSA-N 2 0 242.407 1.699 20 0 BDADRP CCCC[C@@H](CC)[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246584027 988126559 /nfs/dbraw/zinc/12/65/59/988126559.db2.gz KYKMXSYOMKJKMV-QJPTWQEYSA-N 2 0 214.353 1.207 20 0 BDADRP C[C@@H]1CC[C@H]([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)C[C@@H]1C ZINC001246583840 988127048 /nfs/dbraw/zinc/12/70/48/988127048.db2.gz LBKOUFCQXWAAIJ-MOLYVOAJSA-N 2 0 226.364 1.063 20 0 BDADRP C[C@H]1CC([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)C[C@H](C)C1 ZINC001246588362 988155311 /nfs/dbraw/zinc/15/53/11/988155311.db2.gz YZYVOICBZIUTPA-DCQANWLSSA-N 2 0 226.364 1.063 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](C)N1[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246587845 988155354 /nfs/dbraw/zinc/15/53/54/988155354.db2.gz VEPVYVRAZQBNFE-TUAOUCFPSA-N 2 0 225.380 1.199 20 0 BDADRP c1ccc([C@@H]2C[NH2+]CCN2[C@H]2CCC[NH2+]C2)cc1 ZINC001246590122 988163407 /nfs/dbraw/zinc/16/34/07/988163407.db2.gz ATDFXUIBBLCAOM-GJZGRUSLSA-N 2 0 245.370 1.385 20 0 BDADRP c1ccc([C@H]2C[NH2+]CCN2[C@@H]2CCC[NH2+]C2)cc1 ZINC001246590123 988168207 /nfs/dbraw/zinc/16/82/07/988168207.db2.gz ATDFXUIBBLCAOM-HUUCEWRRSA-N 2 0 245.370 1.385 20 0 BDADRP CCCC[C@H]1C[C@@H](N2CC(C)(C[NH3+])C2)CC[NH2+]1 ZINC001246590354 988170670 /nfs/dbraw/zinc/17/06/70/988170670.db2.gz SRNXFUIAVUWDHO-STQMWFEESA-N 2 0 239.407 1.578 20 0 BDADRP [NH3+]C[C@H]1CCCC[N@@H+]([C@@H]2CCC3(C[NH2+]C3)C2)C1 ZINC001246593435 988174482 /nfs/dbraw/zinc/17/44/82/988174482.db2.gz NDVQYXUNTBPJQT-CHWSQXEVSA-N 3 0 237.391 1.189 20 0 BDADRP CC[C@@H]1C[C@@H](N2CC(C)(C[NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246592337 988176184 /nfs/dbraw/zinc/17/61/84/988176184.db2.gz ZHVIYBJQJDCWGJ-CLLJXQQHSA-N 2 0 239.407 1.576 20 0 BDADRP C[C@@H]1CC[C@H](N2CCCC[C@@H](C[NH3+])C2)C[NH2+]1 ZINC001246597252 988196198 /nfs/dbraw/zinc/19/61/98/988196198.db2.gz WXPXBMRMBMGCJC-AGIUHOORSA-N 2 0 225.380 1.188 20 0 BDADRP C1C[NH2+]C[C@@H](N2CCC[C@@]3(CCC[NH2+]C3)C2)C1 ZINC001246610246 988242436 /nfs/dbraw/zinc/24/24/36/988242436.db2.gz OURNUZWUEOTSDA-UONOGXRCSA-N 2 0 237.391 1.204 20 0 BDADRP C[C@H]1C[C@@H]([NH+]2CCC(F)(C[NH3+])CC2)CCO1 ZINC001246622328 988267397 /nfs/dbraw/zinc/26/73/97/988267397.db2.gz YSZGLGUQLRSPNH-QWRGUYRKSA-N 2 0 230.327 1.317 20 0 BDADRP C[C@H]1C[C@@H]([NH+]2CC3(C2)CCCOC3)CC[NH2+]1 ZINC001246637623 988333676 /nfs/dbraw/zinc/33/36/76/988333676.db2.gz HDGSCVUZSXTSRY-RYUDHWBXSA-N 2 0 224.348 1.239 20 0 BDADRP CC[C@@H]1CC[C@@H]([N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246638308 988334428 /nfs/dbraw/zinc/33/44/28/988334428.db2.gz RTCRUKWZFLVFPA-MGPQQGTHSA-N 2 0 237.391 1.202 20 0 BDADRP CC1(C)C[C@H](N2CCCCC23C[NH2+]C3)CC[NH2+]1 ZINC001246640242 988335399 /nfs/dbraw/zinc/33/53/99/988335399.db2.gz CHKWJYXLKCBNFL-GFCCVEGCSA-N 2 0 237.391 1.345 20 0 BDADRP CC(C)[C@H]1C[C@@H](N2CC[C@H]3[NH2+]CC[C@H]32)CC[NH2+]1 ZINC001246639282 988336656 /nfs/dbraw/zinc/33/66/56/988336656.db2.gz PHMJBBOBIRHQNS-REWJHTLYSA-N 2 0 237.391 1.199 20 0 BDADRP CC1(C)C[C@@H](N2CCCCC23C[NH2+]C3)CC[NH2+]1 ZINC001246640243 988340830 /nfs/dbraw/zinc/34/08/30/988340830.db2.gz CHKWJYXLKCBNFL-LBPRGKRZSA-N 2 0 237.391 1.345 20 0 BDADRP C1C[C@@]2(C[NH2+]1)CCC[C@H]([N@@H+]1CC[C@H]3C[NH2+]C[C@H]31)C2 ZINC001246647389 988364996 /nfs/dbraw/zinc/36/49/96/988364996.db2.gz SQIVFLPLKSHTEL-XQLPTFJDSA-N 3 0 249.402 1.202 20 0 BDADRP C[C@@H]1C[C@@H](N2CCCC[C@@]23CCC[NH2+]C3)C[NH2+]1 ZINC001246649806 988368720 /nfs/dbraw/zinc/36/87/20/988368720.db2.gz FGRJKYZWODAPBZ-MCIONIFRSA-N 2 0 237.391 1.345 20 0 BDADRP C[NH2+]CC[C@@H](C)N1CCCCC12CC[NH2+]CC2 ZINC001246649040 988369457 /nfs/dbraw/zinc/36/94/57/988369457.db2.gz UVPCEDULIYEIMC-CYBMUJFWSA-N 2 0 239.407 1.593 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2C[C@@H]3CC[NH2+][C@@H]3C2)CC[NH2+]1 ZINC001246649561 988373642 /nfs/dbraw/zinc/37/36/42/988373642.db2.gz CTTIXGIPBBJOLA-RFQIPJPRSA-N 2 0 237.391 1.057 20 0 BDADRP C[C@H]1CC[C@H](N2CCCC23CC[NH2+]CC3)C[NH2+]1 ZINC001246652049 988380453 /nfs/dbraw/zinc/38/04/53/988380453.db2.gz HIBJMVOTNVGNNP-STQMWFEESA-N 2 0 237.391 1.345 20 0 BDADRP C1C[C@H]2C[N@@H+]([C@@H]3CCC4(C3)CC[NH2+]CC4)C[C@H]2[NH2+]1 ZINC001246655299 988384943 /nfs/dbraw/zinc/38/49/43/988384943.db2.gz YWVZJXLOVQZMMP-BFHYXJOUSA-N 3 0 249.402 1.202 20 0 BDADRP [NH3+][C@@]12CCC[C@@H]1CN([C@@H]1CC[NH2+]C3(CCC3)C1)C2 ZINC001246665749 988404185 /nfs/dbraw/zinc/40/41/85/988404185.db2.gz PZNKBFGRACXZMY-UMVBOHGHSA-N 2 0 249.402 1.474 20 0 BDADRP CC(C)[C@H]1C[C@@H](N2CC3(C2)CCC[NH2+]3)CC[NH2+]1 ZINC001246666334 988405427 /nfs/dbraw/zinc/40/54/27/988405427.db2.gz IWZLNIHDQMTYKZ-QWHCGFSZSA-N 2 0 237.391 1.201 20 0 BDADRP CC[C@@H]1C[C@H](N2CC[NH2+]C[C@@H]2C)C[C@H](CC)[NH2+]1 ZINC001246674426 988417798 /nfs/dbraw/zinc/41/77/98/988417798.db2.gz SXLTWCZBHZICHO-IGQOVBAYSA-N 2 0 239.407 1.589 20 0 BDADRP CCCC[C@H]1C[C@H](N2C[C@H]3C[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC001246674841 988418831 /nfs/dbraw/zinc/41/88/31/988418831.db2.gz BOUISGIWUVRBIX-IGQOVBAYSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@@H]1C[C@@H](N(C)[C@H]2CCC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC001246679524 988427095 /nfs/dbraw/zinc/42/70/95/988427095.db2.gz QIYPPOYMXHVDOD-RNJOBUHISA-N 2 0 225.380 1.199 20 0 BDADRP CCCC[C@@H]1C[C@H](N(C)CCC[NH3+])CC[NH2+]1 ZINC001246682575 988428589 /nfs/dbraw/zinc/42/85/89/988428589.db2.gz WEIUPBHQEWHWBS-CHWSQXEVSA-N 2 0 227.396 1.578 20 0 BDADRP C[C@@H]1CCCCC[N@@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246768090 988454096 /nfs/dbraw/zinc/45/40/96/988454096.db2.gz FDCJHGHNCCOYAW-OLZOCXBDSA-N 2 0 237.391 1.345 20 0 BDADRP C[C@H]1CC[C@@H](N2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)C[NH2+]1 ZINC001246810479 988492750 /nfs/dbraw/zinc/49/27/50/988492750.db2.gz WZCYFCKQILXWKC-IEECTRCBSA-N 2 0 223.364 1.081 20 0 BDADRP C[C@@H]1C[C@@H]([N@H+](C)CCc2cccnc2)CC[NH2+]1 ZINC001246814449 988494064 /nfs/dbraw/zinc/49/40/64/988494064.db2.gz PFFFWGXPPJXRGH-OCCSQVGLSA-N 2 0 233.359 1.696 20 0 BDADRP CC[C@@H]1C[C@@H](N2CC[NH2+]C(C)(C)C2)CC[NH2+]1 ZINC001246816724 988504574 /nfs/dbraw/zinc/50/45/74/988504574.db2.gz MKFBTRKWRBVCIZ-NEPJUHHUSA-N 2 0 225.380 1.201 20 0 BDADRP CC[C@@H]1C[C@H](N2CC[NH2+]C(C)(C)C2)CC[NH2+]1 ZINC001246816727 988505849 /nfs/dbraw/zinc/50/58/49/988505849.db2.gz MKFBTRKWRBVCIZ-VXGBXAGGSA-N 2 0 225.380 1.201 20 0 BDADRP CSC(C)(C)C[C@H](C)N(CC[NH3+])CC[NH3+] ZINC001246834357 988532226 /nfs/dbraw/zinc/53/22/26/988532226.db2.gz UEIWEDGFWRBOPJ-JTQLQIEISA-N 2 0 233.425 1.126 20 0 BDADRP C[C@@H]1CC[C@@H]([NH3+])CN1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246822935 988510961 /nfs/dbraw/zinc/51/09/61/988510961.db2.gz MLAUSEAJYUECAQ-PNKOWGENSA-N 2 0 223.364 1.081 20 0 BDADRP C[C@@H]1CN([C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[C@H](C)[NH2+]1 ZINC001246824264 988514962 /nfs/dbraw/zinc/51/49/62/988514962.db2.gz KEWKSLCYQLQHMU-RVOPOGNISA-N 2 0 237.391 1.342 20 0 BDADRP C[C@@H]1CN(C2C[C@H](C)[NH2+][C@@H](C)C2)C[C@H](C)[NH2+]1 ZINC001246825149 988518849 /nfs/dbraw/zinc/51/88/49/988518849.db2.gz QWIGGUPVRBECKC-FIQHERPVSA-N 2 0 225.380 1.198 20 0 BDADRP CCC[C@@H](C)CC[C@H](C)N(CC[NH3+])CC[NH3+] ZINC001246828304 988518914 /nfs/dbraw/zinc/51/89/14/988518914.db2.gz BAVXNUUCCFORFB-OLZOCXBDSA-N 2 0 229.412 1.811 20 0 BDADRP CCCC[C@@H]1C[C@H](N(C)C2C[NH2+]C2)CC[NH2+]1 ZINC001246831273 988520800 /nfs/dbraw/zinc/52/08/00/988520800.db2.gz BXGTVIPSWZNCEH-VXGBXAGGSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H]1C[C@H](N(CC[NH3+])CC[NH3+])CC(C)(C)C1 ZINC001246830095 988523500 /nfs/dbraw/zinc/52/35/00/988523500.db2.gz JCFZRHSPADIGCI-NEPJUHHUSA-N 2 0 227.396 1.421 20 0 BDADRP C[C@H]1C[C@@H](N(CC[NH3+])CC[NH3+])CC(C)(C)C1 ZINC001246830096 988524623 /nfs/dbraw/zinc/52/46/23/988524623.db2.gz JCFZRHSPADIGCI-NWDGAFQWSA-N 2 0 227.396 1.421 20 0 BDADRP CSC(C)(C)C[C@@H](C)N(CC[NH3+])CC[NH3+] ZINC001246834361 988532443 /nfs/dbraw/zinc/53/24/43/988532443.db2.gz UEIWEDGFWRBOPJ-SNVBAGLBSA-N 2 0 233.425 1.126 20 0 BDADRP CC(C)=CCC[C@@H](C)N(CC[NH3+])CC[NH3+] ZINC001246834302 988532937 /nfs/dbraw/zinc/53/29/37/988532937.db2.gz SWKFHYFJTZWEPC-GFCCVEGCSA-N 2 0 213.369 1.341 20 0 BDADRP CCCCCC[C@@H](CC)N(CC[NH3+])CC[NH3+] ZINC001246836167 988533558 /nfs/dbraw/zinc/53/35/58/988533558.db2.gz ZUPKVHCINRKPNB-CYBMUJFWSA-N 2 0 229.412 1.955 20 0 BDADRP CC[C@@H]1C[C@H](N2CC3(C2)CCCC[NH2+]3)CC[NH2+]1 ZINC001246834938 988533589 /nfs/dbraw/zinc/53/35/89/988533589.db2.gz WGGJHOKFOLTCEG-CHWSQXEVSA-N 2 0 237.391 1.345 20 0 BDADRP CC[C@H]1C[C@H](N2CC3(C2)CCCC[NH2+]3)CC[NH2+]1 ZINC001246834941 988535432 /nfs/dbraw/zinc/53/54/32/988535432.db2.gz WGGJHOKFOLTCEG-QWHCGFSZSA-N 2 0 237.391 1.345 20 0 BDADRP C[NH2+]Cc1c(C)nn([C@H]2CC[NH2+][C@H](C)C2)c1C ZINC001246843176 988544480 /nfs/dbraw/zinc/54/44/80/988544480.db2.gz BGSAXCQBIBQDON-SKDRFNHKSA-N 2 0 236.363 1.532 20 0 BDADRP C[C@@H]1CC[C@H](n2ccnc2[C@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001246848814 988565888 /nfs/dbraw/zinc/56/58/88/988565888.db2.gz OJJGNWSPOOVCHM-AGIUHOORSA-N 2 0 248.374 1.663 20 0 BDADRP CCN([C@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]CC1 ZINC001246851876 988572882 /nfs/dbraw/zinc/57/28/82/988572882.db2.gz ATJROJOLGKSPRA-STQMWFEESA-N 2 0 225.380 1.202 20 0 BDADRP CC(=O)[C@H]1CCC[N@@H+]([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246850916 988574641 /nfs/dbraw/zinc/57/46/41/988574641.db2.gz KCHXQFSJADVJCY-WXHSDQCUSA-N 2 0 224.348 1.428 20 0 BDADRP CCC[NH+]1CCC(N2C[C@@H]3CC[C@]3([NH3+])C2)CC1 ZINC001246856955 988580623 /nfs/dbraw/zinc/58/06/23/988580623.db2.gz XSQYYOUNPZDYMF-JSGCOSHPSA-N 2 0 237.391 1.284 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@]3(C2)CCCOC3)CC[NH2+]1 ZINC001246855067 988582790 /nfs/dbraw/zinc/58/27/90/988582790.db2.gz SGLCLDWCIZICLW-HZSPNIEDSA-N 2 0 238.375 1.629 20 0 BDADRP COC1CCC([N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001246859327 988585118 /nfs/dbraw/zinc/58/51/18/988585118.db2.gz JUOLIAMKOGSWDZ-IKWCTNDRSA-N 2 0 224.348 1.367 20 0 BDADRP CSCC[C@@H](C)[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246859555 988587685 /nfs/dbraw/zinc/58/76/85/988587685.db2.gz LGNIHJSBJVXEDK-YIBTVLSRSA-N 2 0 244.404 1.034 20 0 BDADRP CC[C@@H]1CC[C@@H]([N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])C1 ZINC001246861092 988597541 /nfs/dbraw/zinc/59/75/41/988597541.db2.gz QKNUFLZNAUPLJE-RQICVUQASA-N 2 0 238.375 1.471 20 0 BDADRP C[C@H]1CN([C@@H]2CC[NH2+]C(C)(C)C2)[C@@H](C)C[NH2+]1 ZINC001246871834 988636245 /nfs/dbraw/zinc/63/62/45/988636245.db2.gz NCHZXKFTKYGNMT-SDDRHHMPSA-N 2 0 225.380 1.199 20 0 BDADRP CC[C@@H]1C[C@H](N2CCC[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC001246875598 988643628 /nfs/dbraw/zinc/64/36/28/988643628.db2.gz HUYMURCOGHHVSO-YNEHKIRRSA-N 2 0 225.380 1.201 20 0 BDADRP CCCC[C@@H]1C[C@H](N(CC)CC[NH3+])CC[NH2+]1 ZINC001246889134 988656158 /nfs/dbraw/zinc/65/61/58/988656158.db2.gz CVIBDOBJDKPBJI-CHWSQXEVSA-N 2 0 227.396 1.578 20 0 BDADRP CCCC[C@H]1CN([C@@H]2CC[NH2+][C@H](C)C2)CC[NH2+]1 ZINC001246889871 988658024 /nfs/dbraw/zinc/65/80/24/988658024.db2.gz GLIOGILTEIVSMV-HZSPNIEDSA-N 2 0 239.407 1.591 20 0 BDADRP CC[C@@H]1C[C@@H](N(CC)CC[NH3+])C[C@H](CC)[NH2+]1 ZINC001246891194 988659460 /nfs/dbraw/zinc/65/94/60/988659460.db2.gz KWNHEYXOFCFEDX-CLLJXQQHSA-N 2 0 227.396 1.576 20 0 BDADRP CCCC[C@@H]1CN([C@H](C)CC[NH2+]C)CC[NH2+]1 ZINC001246890646 988659950 /nfs/dbraw/zinc/65/99/50/988659950.db2.gz KMOAYYRLBJWVEY-CHWSQXEVSA-N 2 0 227.396 1.448 20 0 BDADRP C[NH2+][C@@H]1CCN1[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246895851 988668559 /nfs/dbraw/zinc/66/85/59/988668559.db2.gz FXIBHASZYQUISD-KFWWJZLASA-N 2 0 245.370 1.731 20 0 BDADRP CC(=O)[C@H]1CC[N@@H+]([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246896225 988669910 /nfs/dbraw/zinc/66/99/10/988669910.db2.gz VWTYNNFRRCFKBC-USWWRNFRSA-N 2 0 210.321 1.038 20 0 BDADRP CCC1([NH3+])CN([C@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001246896704 988670677 /nfs/dbraw/zinc/67/06/77/988670677.db2.gz ZHZUNELCTJOATB-STQMWFEESA-N 2 0 237.391 1.332 20 0 BDADRP CC(=O)[C@@H]1CC[N@@H+]([C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246896224 988671541 /nfs/dbraw/zinc/67/15/41/988671541.db2.gz VWTYNNFRRCFKBC-MVWJERBFSA-N 2 0 210.321 1.038 20 0 BDADRP CCC[C@H]1C[N@@H+]([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)CCN1 ZINC001246896866 988672179 /nfs/dbraw/zinc/67/21/79/988672179.db2.gz BKKYUFAFPQQNRY-RFQIPJPRSA-N 2 0 237.391 1.058 20 0 BDADRP CCC[C@H]1CN([C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC001246901894 988674302 /nfs/dbraw/zinc/67/43/02/988674302.db2.gz FEPMCXYMQMGZRK-CRWXNKLISA-N 2 0 239.407 1.589 20 0 BDADRP CCCC[C@H]1C[C@H](N2CCC[C@@H]2C[NH3+])CC[NH2+]1 ZINC001246907622 988691659 /nfs/dbraw/zinc/69/16/59/988691659.db2.gz FZRQYBUYNZKMPC-BFHYXJOUSA-N 2 0 239.407 1.720 20 0 BDADRP C[NH2+]CC[C@H](C)N(C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001246907703 988692336 /nfs/dbraw/zinc/69/23/36/988692336.db2.gz UJYXPCNVCBKKMH-WCQYABFASA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H]1C[C@@H](N(C)[C@@]2(C)CCC[NH2+]C2)CC[NH2+]1 ZINC001246913567 988695214 /nfs/dbraw/zinc/69/52/14/988695214.db2.gz RCCIQNUFONUSKN-AGIUHOORSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H]1C[C@@H](N(C)C2(C)CC[NH2+]CC2)CC[NH2+]1 ZINC001246914028 988699448 /nfs/dbraw/zinc/69/94/48/988699448.db2.gz YDHWIIBBZNUJMB-NEPJUHHUSA-N 2 0 225.380 1.201 20 0 BDADRP CCC[C@@H]1C[NH2+]CCN1[C@H]1CC[NH2+][C@@H](CC)C1 ZINC001246917343 988716926 /nfs/dbraw/zinc/71/69/26/988716926.db2.gz FTRXRUPTYLKSRM-MELADBBJSA-N 2 0 239.407 1.591 20 0 BDADRP C[NH2+]C1CCC([N@H+](C)[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246917566 988717813 /nfs/dbraw/zinc/71/78/13/988717813.db2.gz KCHVGHPJXLJOJN-RYSNWHEDSA-N 3 0 239.407 1.589 20 0 BDADRP CCCN([C@H]1CC[NH2+]C1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246926007 988746656 /nfs/dbraw/zinc/74/66/56/988746656.db2.gz BISHBPVQOPKONW-UPJWGTAASA-N 2 0 225.380 1.201 20 0 BDADRP C1[C@@H]2CC[NH2+]CC[C@@H]2C[N@H+]1[C@@H]1CCC[NH2+]CC1 ZINC001246932033 988759386 /nfs/dbraw/zinc/75/93/86/988759386.db2.gz OUYJBRFVNGLPRX-HZSPNIEDSA-N 3 0 237.391 1.060 20 0 BDADRP CCC[C@@H]1C[NH2+]CCN1[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246932837 988760013 /nfs/dbraw/zinc/76/00/13/988760013.db2.gz SBFMEAPAOLKDJE-RWMBFGLXSA-N 2 0 225.380 1.201 20 0 BDADRP C[NH2+]C[C@H]1CCCN1[C@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246938473 988766439 /nfs/dbraw/zinc/76/64/39/988766439.db2.gz MUKUEUFJKQUNPI-BFHYXJOUSA-N 2 0 239.407 1.447 20 0 BDADRP CCCN([C@@H]1CC[NH2+]C1)[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246943550 988776845 /nfs/dbraw/zinc/77/68/45/988776845.db2.gz UQJLWJCHWGGOCS-XJFOESAGSA-N 2 0 239.407 1.589 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](n3ccnn3)C2)CC[NH2+]1 ZINC001246944558 988782261 /nfs/dbraw/zinc/78/22/61/988782261.db2.gz HVQWBOREVSHHAH-FRRDWIJNSA-N 2 0 249.362 1.056 20 0 BDADRP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1cc[nH]c(=O)c1 ZINC001324295760 988784533 /nfs/dbraw/zinc/78/45/33/988784533.db2.gz WLOKSRCTJTVNPS-LBPRGKRZSA-N 2 0 249.358 1.924 20 0 BDADRP C[C@@H]1CN([C@H]2CC3CC[NH+](CC3)C2)C[C@@H](C)[NH2+]1 ZINC001246964743 988795991 /nfs/dbraw/zinc/79/59/91/988795991.db2.gz NBXMJYROVGLWCR-BZPMIXESSA-N 2 0 237.391 1.153 20 0 BDADRP C[C@@H]1C[C@@H](N(C2CC2)[C@@H]2CC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC001246970250 988801400 /nfs/dbraw/zinc/80/14/00/988801400.db2.gz YMNPNUNTGAPMSW-ZMJPVWNMSA-N 2 0 237.391 1.342 20 0 BDADRP CCCC[C@H]1C[C@@H](N(C)C[C@@H]([NH3+])CC)CC[NH2+]1 ZINC001246982555 988801869 /nfs/dbraw/zinc/80/18/69/988801869.db2.gz YLMROFCZIGTAMY-IHRRRGAJSA-N 2 0 241.423 1.966 20 0 BDADRP CC[C@H]([NH3+])CN(C)[C@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246972741 988803626 /nfs/dbraw/zinc/80/36/26/988803626.db2.gz GHAJAHYUBVLQHR-IGQOVBAYSA-N 2 0 241.423 1.965 20 0 BDADRP CCCN(C[C@@H]1CC[NH2+]C1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246976477 988805003 /nfs/dbraw/zinc/80/50/03/988805003.db2.gz QQFJMVGSLABXJS-MGPQQGTHSA-N 2 0 239.407 1.448 20 0 BDADRP CCCC[C@H]1C[C@H](N(C)C[C@@H]([NH3+])CC)CC[NH2+]1 ZINC001246982556 988805133 /nfs/dbraw/zinc/80/51/33/988805133.db2.gz YLMROFCZIGTAMY-MELADBBJSA-N 2 0 241.423 1.966 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2C[C@H](C)C[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246982727 988815407 /nfs/dbraw/zinc/81/54/07/988815407.db2.gz JQPGXKYUZHJABB-SYQHCUMBSA-N 2 0 239.407 1.432 20 0 BDADRP C[C@H]([NH3+])CN(C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001246981905 988817440 /nfs/dbraw/zinc/81/74/40/988817440.db2.gz UHLHBOCVRARAJZ-RVMXOQNASA-N 2 0 225.380 1.281 20 0 BDADRP CCCC[C@H]1C[C@H](N2CC[NH2+]C2)CC[NH2+]1 ZINC001246993518 988824075 /nfs/dbraw/zinc/82/40/75/988824075.db2.gz NVMSQSGGCVTCQM-NWDGAFQWSA-N 2 0 211.353 1.160 20 0 BDADRP C[C@@H]1C[C@@H](N2CC[NH2+]C3=CCCC[C@H]32)C[C@H](C)[NH2+]1 ZINC001246991373 988824632 /nfs/dbraw/zinc/82/46/32/988824632.db2.gz ANGIPIQPWGXBFU-QVHKTLOISA-N 2 0 249.402 1.857 20 0 BDADRP C[NH2+]CC[C@H](C)N1CC[NH2+]C2=CCCC[C@H]21 ZINC001246997221 988827457 /nfs/dbraw/zinc/82/74/57/988827457.db2.gz SCDJQIFPRBABIA-WCQYABFASA-N 2 0 223.364 1.326 20 0 BDADRP COC(=O)[C@@]1(C)CC[N@@H+]([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001247000381 988831437 /nfs/dbraw/zinc/83/14/37/988831437.db2.gz ICXCBLVSZAKXHT-MDZLAQPJSA-N 2 0 240.347 1.012 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CN1[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001247000217 988833291 /nfs/dbraw/zinc/83/32/91/988833291.db2.gz VDOHCVGBDJOJCF-XQHKEYJVSA-N 2 0 239.407 1.575 20 0 BDADRP C[C@@H]1C[C@@H](N2CCC[C@](C)(C[NH3+])C2)CC[NH2+]1 ZINC001247007553 988837580 /nfs/dbraw/zinc/83/75/80/988837580.db2.gz ZWFMPYLOKAPODN-FRRDWIJNSA-N 2 0 225.380 1.188 20 0 BDADRP C1C[C@H]2CC(N3CC[C@H]4[NH2+]CCC[C@H]4C3)C[C@@H]1[NH2+]2 ZINC001247016969 988844517 /nfs/dbraw/zinc/84/45/17/988844517.db2.gz ZLQNYRLSQZGNNV-DFKRWLTFSA-N 2 0 249.402 1.343 20 0 BDADRP C[N@@H+]1C[C@@H]2CCCN(c3cc[nH+]cc3)[C@@H]2C1 ZINC001515221898 989006017 /nfs/dbraw/zinc/00/60/17/989006017.db2.gz JOXNDXJSQMELOY-WCQYABFASA-N 2 0 217.316 1.612 20 0 BDADRP C[NH2+][C@H](C)CCNC1CC[NH+](CC2CC2)CC1 ZINC001325266545 989138414 /nfs/dbraw/zinc/13/84/14/989138414.db2.gz CWIKXWFJUHVSNI-GFCCVEGCSA-N 2 0 239.407 1.448 20 0 BDADRP [NH3+]Cc1cccc(-c2ccc([C@H]([NH3+])CO)cc2)c1 ZINC001517241845 989213920 /nfs/dbraw/zinc/21/39/20/989213920.db2.gz DKSHBXFASGFPII-OAHLLOKOSA-N 2 0 242.322 1.804 20 0 BDADRP C[C@@H]1C[N@H+](CCOCC2CC2)CC[C@H]1C[NH3+] ZINC001119617606 989247642 /nfs/dbraw/zinc/24/76/42/989247642.db2.gz RQYCABCLNZTJKD-YPMHNXCESA-N 2 0 226.364 1.330 20 0 BDADRP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C23CCCC3)C1 ZINC001119629831 989261824 /nfs/dbraw/zinc/26/18/24/989261824.db2.gz BBGSTUHYHOOGGH-YNEHKIRRSA-N 2 0 238.375 1.818 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC001326035215 989333587 /nfs/dbraw/zinc/33/35/87/989333587.db2.gz FTUKQIUKRFORRR-UTUOFQBUSA-N 2 0 214.353 1.532 20 0 BDADRP C[NH2+][C@@H](C)CC[NH2+][C@@H](Cn1cccn1)C(C)C ZINC001326037483 989335879 /nfs/dbraw/zinc/33/58/79/989335879.db2.gz WWKGXPYYARBWOO-STQMWFEESA-N 2 0 238.379 1.495 20 0 BDADRP CC[N@@H+]1CCC[C@H](CN[C@@H](C)C[C@H](C)[NH3+])C1 ZINC001326036496 989337539 /nfs/dbraw/zinc/33/75/39/989337539.db2.gz HRGSPGCTVHUCRU-RWMBFGLXSA-N 2 0 227.396 1.434 20 0 BDADRP CC[N@@H+]1CCC[C@H](CN[C@@H]2CCC[NH2+][C@H]2C)C1 ZINC001119699495 989344444 /nfs/dbraw/zinc/34/44/44/989344444.db2.gz RKZAJOWFUKPTPF-BFHYXJOUSA-N 2 0 239.407 1.448 20 0 BDADRP CC[N@@H+]1CCC[C@H](CN[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC001119699497 989345070 /nfs/dbraw/zinc/34/50/70/989345070.db2.gz RKZAJOWFUKPTPF-MGPQQGTHSA-N 2 0 239.407 1.448 20 0 BDADRP CC(C)C[NH2+]CC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC001326275635 989460571 /nfs/dbraw/zinc/46/05/71/989460571.db2.gz LBTIWLUYOFZOHN-CYBMUJFWSA-N 2 0 249.358 1.048 20 0 BDADRP CC(C)C[NH2+]CC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC001326309168 989479969 /nfs/dbraw/zinc/47/99/69/989479969.db2.gz IBLFGRCRHFYPAB-GFCCVEGCSA-N 2 0 243.395 1.064 20 0 BDADRP CC(=O)OC[C@@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC001119952718 989504805 /nfs/dbraw/zinc/50/48/05/989504805.db2.gz CXVBKDWIZFAHDV-LLVKDONJSA-N 2 0 228.336 1.014 20 0 BDADRP CCC[C@@H](C)[C@H](CO)[NH2+]CC1CC[NH+](C)CC1 ZINC001119971051 989521262 /nfs/dbraw/zinc/52/12/62/989521262.db2.gz GMYCFDDHLFYQQH-OCCSQVGLSA-N 2 0 242.407 1.715 20 0 BDADRP C[NH2+][C@H](C)CCN[C@@H]1CCCC[C@H]1C[NH3+] ZINC001326472610 989557816 /nfs/dbraw/zinc/55/78/16/989557816.db2.gz DJAKZHYSHOUCOD-GRYCIOLGSA-N 2 0 213.369 1.092 20 0 BDADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH3+] ZINC001326688033 989654373 /nfs/dbraw/zinc/65/43/73/989654373.db2.gz MZZSKYQQHYKABO-VXGBXAGGSA-N 2 0 241.379 1.104 20 0 BDADRP CC[C@@]1(C(=O)N[C@H](C)CCCC[NH3+])CC[NH2+]C1 ZINC001326780822 989703701 /nfs/dbraw/zinc/70/37/01/989703701.db2.gz OMEXYGOAWOZTFH-DGCLKSJQSA-N 2 0 241.379 1.010 20 0 BDADRP CC[NH2+]CC(=O)N1C[C@H](CC[NH3+])c2ccccc21 ZINC001522313170 989844726 /nfs/dbraw/zinc/84/47/26/989844726.db2.gz WMMBZAKAQMIMIZ-NSHDSACASA-N 2 0 247.342 1.075 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001523524617 989928999 /nfs/dbraw/zinc/92/89/99/989928999.db2.gz DKDQSYIMKJBKFB-AAEUAGOBSA-N 2 0 241.379 1.152 20 0 BDADRP CC[NH+](CC)CC[C@H](C)NC(=O)[C@@H](C)C[NH2+]C ZINC001122512731 990404287 /nfs/dbraw/zinc/40/42/87/990404287.db2.gz LFGNADGYWDXFTA-RYUDHWBXSA-N 2 0 243.395 1.079 20 0 BDADRP C[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccccc2)C1 ZINC000225100690 990887863 /nfs/dbraw/zinc/88/78/63/990887863.db2.gz OTKSAYFTKWFPIR-GXTWGEPZSA-N 2 0 234.343 1.261 20 0 BDADRP C[C@H](CC[NH+](C)C)C(=O)NCC[C@H](C)[NH+](C)C ZINC001557441274 990891194 /nfs/dbraw/zinc/89/11/94/990891194.db2.gz JUXLYRTTXVRNPE-NEPJUHHUSA-N 2 0 243.395 1.031 20 0 BDADRP CCc1ncc(C[NH2+]CC2=CC[N@H+](C)CC2)cn1 ZINC001308346253 990972417 /nfs/dbraw/zinc/97/24/17/990972417.db2.gz FVECMPSXMNYOAB-UHFFFAOYSA-N 2 0 246.358 1.391 20 0 BDADRP C[C@H](Cc1ccco1)[NH2+]CCC[N@H+](C)CCO ZINC001258184612 991091201 /nfs/dbraw/zinc/09/12/01/991091201.db2.gz GUDCRJLQDBZDIH-GFCCVEGCSA-N 2 0 240.347 1.114 20 0 BDADRP CSCC[C@@H](C)NC(=[NH2+])SCC[NH3+] ZINC001258202762 991118510 /nfs/dbraw/zinc/11/85/10/991118510.db2.gz UKRBUBHUSVJMGZ-SSDOTTSWSA-N 2 0 221.395 1.344 20 0 BDADRP CSCC[C@@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC001258209447 991128494 /nfs/dbraw/zinc/12/84/94/991128494.db2.gz VVFZEPCBIGXUOM-VWYCJHECSA-N 2 0 216.394 1.988 20 0 BDADRP CC[NH+]1CCC(C[NH2+]CC2(OC)CCC2)CC1 ZINC001308819958 991155598 /nfs/dbraw/zinc/15/55/98/991155598.db2.gz OKHGUFUZSOQQRF-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001308984299 991252000 /nfs/dbraw/zinc/25/20/00/991252000.db2.gz MMNFMNHPRAGAFL-NJMOYASZSA-N 2 0 208.349 1.715 20 0 BDADRP CSC(C)(C)C[C@H](C)[NH2+]C1CC([NH3+])C1 ZINC001258335494 991261847 /nfs/dbraw/zinc/26/18/47/991261847.db2.gz YZSCSNIOBFRBDQ-IDKOKCKLSA-N 2 0 216.394 1.986 20 0 BDADRP [NH3+]Cc1ccccc1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC001340148349 991303847 /nfs/dbraw/zinc/30/38/47/991303847.db2.gz SJQGOWHBVMYGHU-RYUDHWBXSA-N 2 0 247.342 1.145 20 0 BDADRP CO[C@H]1CC[C@H]([N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C1 ZINC001560055493 991368143 /nfs/dbraw/zinc/36/81/43/991368143.db2.gz BVHLQKKKNZAMSU-RFGFWPKPSA-N 2 0 238.375 1.437 20 0 BDADRP C[C@@H]1CC[C@@H](C[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)O1 ZINC001560186513 991402010 /nfs/dbraw/zinc/40/20/10/991402010.db2.gz ILOLHMPFQCTRCF-MQYQWHSLSA-N 2 0 238.375 1.437 20 0 BDADRP C[NH+](C)CC1CC[NH+](Cc2cccnn2)CC1 ZINC001139972908 991443578 /nfs/dbraw/zinc/44/35/78/991443578.db2.gz HTSBFXIRXMIDMB-UHFFFAOYSA-N 2 0 234.347 1.250 20 0 BDADRP CCOC(=O)CC[C@@H](C)[N@H+](CCC[NH3+])C(C)C ZINC001258475547 991449999 /nfs/dbraw/zinc/44/99/99/991449999.db2.gz IRMNQNHWBWSCSS-GFCCVEGCSA-N 2 0 244.379 1.777 20 0 BDADRP CCOC(=O)CC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C)C1 ZINC001258477023 991451411 /nfs/dbraw/zinc/45/14/11/991451411.db2.gz YUSJAOQQWVGRAX-NEPJUHHUSA-N 2 0 242.363 1.260 20 0 BDADRP C[N@H+](CCO)CCC[NH2+][C@H]1CCC(C)(C)C1 ZINC001258599551 991504241 /nfs/dbraw/zinc/50/42/41/991504241.db2.gz DJQMROGHNTYZPH-LBPRGKRZSA-N 2 0 228.380 1.469 20 0 BDADRP C[C@H](Cc1cccnc1)[NH2+]CCC[NH+](C)C ZINC001258609708 991530506 /nfs/dbraw/zinc/53/05/06/991530506.db2.gz TUICLMKALCAFNV-GFCCVEGCSA-N 2 0 221.348 1.554 20 0 BDADRP C[C@H](Cc1cccnc1)NC(=[NH2+])SCC[NH3+] ZINC001258612382 991537645 /nfs/dbraw/zinc/53/76/45/991537645.db2.gz WEWRWHWVECNTBO-SECBINFHSA-N 2 0 238.360 1.229 20 0 BDADRP C[C@H](C[NH3+])C[N@H+](C)[C@@H](C)Cc1cccnc1 ZINC001258615195 991541211 /nfs/dbraw/zinc/54/12/11/991541211.db2.gz FCVAAWNYXHIBAB-NEPJUHHUSA-N 2 0 221.348 1.539 20 0 BDADRP C[C@@H](Cc1cccnc1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC001258615161 991542565 /nfs/dbraw/zinc/54/25/65/991542565.db2.gz DEECSDMXUMHLEH-UBHSHLNASA-N 2 0 233.359 1.872 20 0 BDADRP C[C@H](Cc1cccnc1)[N@H+](C)CCC[NH+](C)C ZINC001258622249 991549532 /nfs/dbraw/zinc/54/95/32/991549532.db2.gz JVOZBHRMMSKANN-CYBMUJFWSA-N 2 0 235.375 1.896 20 0 BDADRP CCCCC[C@@H](CCC)[NH2+]C[C@@H](O)C[NH3+] ZINC001258661508 991597747 /nfs/dbraw/zinc/59/77/47/991597747.db2.gz GOVKQQCZPDBGMK-NEPJUHHUSA-N 2 0 216.369 1.645 20 0 BDADRP CCCCC[C@H](CCC)[NH2+]C[C@H](O)C[NH3+] ZINC001258661516 991597938 /nfs/dbraw/zinc/59/79/38/991597938.db2.gz GOVKQQCZPDBGMK-NWDGAFQWSA-N 2 0 216.369 1.645 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCOCC[NH3+])CC(C)(C)C1 ZINC001258686652 991617875 /nfs/dbraw/zinc/61/78/75/991617875.db2.gz ILLPVYLQJKKFJT-NWDGAFQWSA-N 2 0 228.380 1.766 20 0 BDADRP C[C@]1(F)CC[N@H+](CCCC[NH3+])C[C@@H]1F ZINC001206743542 991633964 /nfs/dbraw/zinc/63/39/64/991633964.db2.gz ACFHSVQOGBANOW-UWVGGRQHSA-N 2 0 206.280 1.497 20 0 BDADRP CC1(C)C[C@@H]([NH2+]C[C@@H]2C[NH+]3CCC2CC3)CO1 ZINC001561034668 991694467 /nfs/dbraw/zinc/69/44/67/991694467.db2.gz YVLKVADBZWRDFF-CHWSQXEVSA-N 2 0 238.375 1.485 20 0 BDADRP CCC[NH+]1CCC([N@@H+]2C[C@@H]3CCO[C@@H]3C2)CC1 ZINC001258776108 991747712 /nfs/dbraw/zinc/74/77/12/991747712.db2.gz UHJPLOBHBABCRA-GXTWGEPZSA-N 2 0 238.375 1.582 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1C[NH+]2CCC1CC2)[C@H]1CCOC1 ZINC001474734643 991785714 /nfs/dbraw/zinc/78/57/14/991785714.db2.gz BHLJOKJMMASVDK-FPMFFAJLSA-N 2 0 238.375 1.343 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](COC)C2CC2)C1 ZINC001319189389 991811634 /nfs/dbraw/zinc/81/16/34/991811634.db2.gz FSHVKRIEVBXEJN-OCCSQVGLSA-N 2 0 240.391 1.733 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1C[C@](C)(O)C1 ZINC001258899402 991889532 /nfs/dbraw/zinc/88/95/32/991889532.db2.gz KIRWVHJMCDUKIJ-MGPQQGTHSA-N 2 0 242.407 2.000 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC001258907162 991890888 /nfs/dbraw/zinc/89/08/88/991890888.db2.gz OHQREXBALNZZMY-MELADBBJSA-N 3 0 241.423 1.966 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1C[C@@H](O)C1 ZINC001258900084 991895102 /nfs/dbraw/zinc/89/51/02/991895102.db2.gz ZTNQFPGUKVJUEV-UPJWGTAASA-N 2 0 228.380 1.610 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+]CCCC[NH3+] ZINC001258899681 991896208 /nfs/dbraw/zinc/89/62/08/991896208.db2.gz ONYXFNOGKNJMKP-ZDUSSCGKSA-N 3 0 229.412 1.825 20 0 BDADRP CC[NH2+][C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C(C)C ZINC001568466759 992169415 /nfs/dbraw/zinc/16/94/15/992169415.db2.gz GMIBYPWKYSHQFU-NWDGAFQWSA-N 2 0 243.395 1.077 20 0 BDADRP CC(C)C[NH2+]CC[C@H](C)NC(=O)CC[NH+](C)C ZINC001568674702 992200702 /nfs/dbraw/zinc/20/07/02/992200702.db2.gz SXFJIUIYMUKZOD-LBPRGKRZSA-N 2 0 243.395 1.079 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+]CC[C@H](C)[NH2+]C)CCO1 ZINC001261370781 992278251 /nfs/dbraw/zinc/27/82/51/992278251.db2.gz UOUSVVGMYCHXMP-YNEHKIRRSA-N 2 0 228.380 1.779 20 0 BDADRP COC(=O)CC(C)(C)[N@H+](C)CC1CC[NH2+]CC1 ZINC001261482574 992331389 /nfs/dbraw/zinc/33/13/89/992331389.db2.gz RFAMGYSHBQFOJY-UHFFFAOYSA-N 2 0 242.363 1.260 20 0 BDADRP [NH2+]=C(NCCC[NH+]1CCCC1)NCCC1CC1 ZINC001261845760 992539363 /nfs/dbraw/zinc/53/93/63/992539363.db2.gz NSKVJKWGMCHJLO-UHFFFAOYSA-N 2 0 238.379 1.386 20 0 BDADRP CC(C)([NH2+]C[C@]1(O)CCC[NH2+]C1)c1ccccc1 ZINC001573484702 992581759 /nfs/dbraw/zinc/58/17/59/992581759.db2.gz PCJSOWDRWTXRBX-HNNXBMFYSA-N 2 0 248.370 1.626 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1NCCC[NH+]1CCCC1 ZINC001262202551 992800400 /nfs/dbraw/zinc/80/04/00/992800400.db2.gz WXBNHTOBVNULGH-LBPRGKRZSA-N 2 0 225.380 1.202 20 0 BDADRP [NH3+]CCCC(=O)Nc1ccc2c[nH+]cn2c1 ZINC001574276509 992837602 /nfs/dbraw/zinc/83/76/02/992837602.db2.gz YWJJABGDQWWSRG-UHFFFAOYSA-N 2 0 218.260 1.012 20 0 BDADRP O[C@@]1(C[N@@H+]2CCC[C@@H](C3CC3)C2)CCC[NH2+]C1 ZINC001574440437 992857887 /nfs/dbraw/zinc/85/78/87/992857887.db2.gz DOXVIHBJNDIUCA-KGLIPLIRSA-N 2 0 238.375 1.223 20 0 BDADRP Nc1nc(C[NH2+]C2CCC(C[NH3+])CC2)cs1 ZINC001262482611 992885520 /nfs/dbraw/zinc/88/55/20/992885520.db2.gz HUZFZDVJUMCLBS-UHFFFAOYSA-N 2 0 240.376 1.332 20 0 BDADRP C[C@H]([NH3+])C[N@@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1 ZINC001262486021 992891863 /nfs/dbraw/zinc/89/18/63/992891863.db2.gz LFYOINIHVBUXEI-OFTGVCEQSA-N 2 0 208.349 1.702 20 0 BDADRP CCC[NH2+]CCNC[C@@H]([NH3+])CCC(C)(C)C ZINC001262488040 992892685 /nfs/dbraw/zinc/89/26/85/992892685.db2.gz NWHDRBLYTQKUED-LBPRGKRZSA-N 2 0 229.412 1.729 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccccc2N2CCCC2)C1 ZINC001262493810 992897652 /nfs/dbraw/zinc/89/76/52/992897652.db2.gz LTEKYUPLTKDUDR-HDJSIYSDSA-N 2 0 245.370 1.866 20 0 BDADRP C(C1=NOCC1)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC001574773883 992900802 /nfs/dbraw/zinc/90/08/02/992900802.db2.gz GDLWVSCLZORCRA-RYUDHWBXSA-N 2 0 237.347 1.084 20 0 BDADRP C(CC1CSC1)[NH2+]C1CC[NH2+]CC1 ZINC001574795604 992911938 /nfs/dbraw/zinc/91/19/38/992911938.db2.gz NPKBKCYGEPXMTH-UHFFFAOYSA-N 2 0 200.351 1.081 20 0 BDADRP C([NH2+][C@H]1C[C@@H]2CCC[C@@H]21)[C@@H]1CCC2(C[NH2+]C2)O1 ZINC001574816244 992917076 /nfs/dbraw/zinc/91/70/76/992917076.db2.gz BMKAXBBRSAELAH-CYDGBPFRSA-N 2 0 236.359 1.286 20 0 BDADRP C(CC1C[NH2+]C1)[NH2+]C1([C@@H]2CCCO2)CCC1 ZINC001574817085 992920675 /nfs/dbraw/zinc/92/06/75/992920675.db2.gz QRILCORPEQQLDK-LBPRGKRZSA-N 2 0 224.348 1.287 20 0 BDADRP CC(C)(C)OC(=O)CC[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001575160608 992999942 /nfs/dbraw/zinc/99/99/42/992999942.db2.gz ORFWZSKBWUFRFE-RUETXSTFSA-N 2 0 240.347 1.188 20 0 BDADRP CC(C)(C[NH3+])C[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC001575314925 993010242 /nfs/dbraw/zinc/01/02/42/993010242.db2.gz DJBJYFJXMSFWDP-CHWSQXEVSA-N 2 0 240.391 1.358 20 0 BDADRP CC(C)(C[NH3+])C[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC001575314928 993010944 /nfs/dbraw/zinc/01/09/44/993010944.db2.gz DJBJYFJXMSFWDP-STQMWFEESA-N 2 0 240.391 1.358 20 0 BDADRP CC(C)([NH2+]C[C@@H]1CCC[NH2+]C1)[C@@H]1CCCCO1 ZINC001575378078 993025306 /nfs/dbraw/zinc/02/53/06/993025306.db2.gz IWMHVUYNGDOOPS-OLZOCXBDSA-N 2 0 240.391 1.923 20 0 BDADRP CC(C)[C@](C)(C[NH3+])NC(=O)CCCC[NH+](C)C ZINC001575410400 993034389 /nfs/dbraw/zinc/03/43/89/993034389.db2.gz OVOPFUUMDMDYMB-ZDUSSCGKSA-N 2 0 243.395 1.208 20 0 BDADRP CC(C)[C@H](CC(F)(F)F)[NH2+]C[C@H](O)CC[NH3+] ZINC001575423529 993040503 /nfs/dbraw/zinc/04/05/03/993040503.db2.gz WIVIOBDEUULSRT-BDAKNGLRSA-N 2 0 242.285 1.263 20 0 BDADRP CC(C)[C@H](C[NH3+])C[NH2+][C@@H]1CCC2(C1)OCCO2 ZINC001575422295 993041362 /nfs/dbraw/zinc/04/13/62/993041362.db2.gz HZUVDBVIQLDDKB-VXGBXAGGSA-N 2 0 242.363 1.103 20 0 BDADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC12CC(C)(C1)OC2 ZINC001575453479 993047527 /nfs/dbraw/zinc/04/75/27/993047527.db2.gz PJSVHFSKZWIMCC-HSBZDZAISA-N 2 0 240.391 1.861 20 0 BDADRP CC(C)C1(O)C[NH+](CCCC2CC[NH2+]CC2)C1 ZINC001575496649 993055614 /nfs/dbraw/zinc/05/56/14/993055614.db2.gz QOUPUWKGQQLJCV-UHFFFAOYSA-N 2 0 240.391 1.469 20 0 BDADRP CC(C)C1(O)CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC001575497619 993059477 /nfs/dbraw/zinc/05/94/77/993059477.db2.gz ZBFIETWZEDEKMX-OLZOCXBDSA-N 2 0 240.391 1.325 20 0 BDADRP CC(C)[N@@H+]1CCCC[C@@H]1CN(C)CC(C)(C)[NH3+] ZINC001575701010 993097532 /nfs/dbraw/zinc/09/75/32/993097532.db2.gz UPWLLPGMAMAYHK-CYBMUJFWSA-N 2 0 241.423 1.918 20 0 BDADRP CC(C)[NH2+][C@H]1CCCN(C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC001575723207 993098843 /nfs/dbraw/zinc/09/88/43/993098843.db2.gz WQIZOEVVWJJIPI-RDBSUJKOSA-N 2 0 239.407 1.304 20 0 BDADRP CC(C)[NH+]1CCC(N[C@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC001575701372 993099528 /nfs/dbraw/zinc/09/95/28/993099528.db2.gz ZKBZNVGHORJTHC-RDBSUJKOSA-N 2 0 237.391 1.342 20 0 BDADRP CC(C)OC(=O)CC[N@H+](C)CC1CC[NH2+]CC1 ZINC001575737821 993101148 /nfs/dbraw/zinc/10/11/48/993101148.db2.gz JWLFZAXVEPBHME-UHFFFAOYSA-N 2 0 242.363 1.260 20 0 BDADRP CC(C)O[C@H]1C[C@@H]([NH2+]C2CC3(C[C@@H]3[NH3+])C2)C1 ZINC001575799255 993106044 /nfs/dbraw/zinc/10/60/44/993106044.db2.gz RDAYDUHQBMIFJZ-XNDORFDGSA-N 2 0 224.348 1.412 20 0 BDADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+]CC1C[NH2+]C1 ZINC001575921091 993127246 /nfs/dbraw/zinc/12/72/46/993127246.db2.gz CGHBMKNGTWTBFN-LLVKDONJSA-N 2 0 247.342 1.213 20 0 BDADRP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001575941992 993133809 /nfs/dbraw/zinc/13/38/09/993133809.db2.gz ZJWYPNKFJRBIFU-UCHMUAQZSA-N 2 0 236.359 1.282 20 0 BDADRP C[C@@H](CCCCO)[NH2+]C1CC(CC[NH3+])C1 ZINC001575942399 993134724 /nfs/dbraw/zinc/13/47/24/993134724.db2.gz CNHZYOAHKCLPOA-UNXYVOJBSA-N 2 0 214.353 1.255 20 0 BDADRP C[C@@H](CC[NH+](C)C)NC[C@H]([NH3+])CC(F)(F)F ZINC001575954577 993137873 /nfs/dbraw/zinc/13/78/73/993137873.db2.gz VVWIZTWMHGBQJO-DTWKUNHWSA-N 2 0 241.301 1.196 20 0 BDADRP C[C@@H](CCn1cccn1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC001575973081 993145269 /nfs/dbraw/zinc/14/52/69/993145269.db2.gz WOVKXRMVIRNBOO-AGIUHOORSA-N 2 0 236.363 1.107 20 0 BDADRP C[C@H](CNC[C@@H]([NH3+])CC(F)F)C[NH+]1CCCC1 ZINC001576032250 993162657 /nfs/dbraw/zinc/16/26/57/993162657.db2.gz AJONCVBLQRDZEY-MNOVXSKESA-N 2 0 249.349 1.290 20 0 BDADRP C[C@H](Cc1ccno1)[NH2+]CCC(C)(C)[NH3+] ZINC001576065087 993168177 /nfs/dbraw/zinc/16/81/77/993168177.db2.gz BSWMGVXQGVSJMZ-SECBINFHSA-N 2 0 211.309 1.323 20 0 BDADRP C[C@@H](Cc1ccno1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC001576066598 993169413 /nfs/dbraw/zinc/16/94/13/993169413.db2.gz OLOLVAQOTJGGDZ-VWYCJHECSA-N 2 0 223.320 1.051 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc[nH]c(=O)c2)C1 ZINC001576116915 993187062 /nfs/dbraw/zinc/18/70/62/993187062.db2.gz BSJUKTMSXBVANK-JQWIXIFHSA-N 2 0 235.331 1.346 20 0 BDADRP C[NH2+][C@@H](CC(C)C)C(=O)Nc1ccccc1C[NH3+] ZINC001263266635 993199448 /nfs/dbraw/zinc/19/94/48/993199448.db2.gz WLZHIRQXGDEPPA-ZDUSSCGKSA-N 2 0 249.358 1.718 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CC[C@@H]([NH3+])C1)c1cnn(C)c1 ZINC001576245747 993230557 /nfs/dbraw/zinc/23/05/57/993230557.db2.gz RHIRQXPESFROLK-JFGNBEQYSA-N 2 0 222.336 1.198 20 0 BDADRP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@@H]1CCCOC1 ZINC001576251104 993232612 /nfs/dbraw/zinc/23/26/12/993232612.db2.gz JXWYRRHPYOPFKK-QWQWKMKNSA-N 2 0 224.348 1.284 20 0 BDADRP C[C@@H]([NH2+][C@H]1C[C@H]([NH3+])C1)C1CCSCC1 ZINC001576250682 993233239 /nfs/dbraw/zinc/23/32/39/993233239.db2.gz GMRXWKIJCGEBSO-FBIMIBRVSA-N 2 0 214.378 1.597 20 0 BDADRP C[C@@H]([NH2+][C@]12CCC[C@H]1[NH2+]CC2)[C@H]1CCOC1 ZINC001576251599 993234524 /nfs/dbraw/zinc/23/45/24/993234524.db2.gz MJAXBSVLEMINRZ-XQHKEYJVSA-N 2 0 224.348 1.286 20 0 BDADRP C[C@H]([C@H](C)O)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001576263135 993239868 /nfs/dbraw/zinc/23/98/68/993239868.db2.gz FVNOENRFSIUPOI-FRRDWIJNSA-N 2 0 226.364 1.221 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC001576380543 993288302 /nfs/dbraw/zinc/28/83/02/993288302.db2.gz UIEAJUYJQOFYEU-YIYPIFLZSA-N 2 0 246.354 1.360 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC001576381511 993289465 /nfs/dbraw/zinc/28/94/65/993289465.db2.gz BWGYXAPMINRIDL-YTWAJWBKSA-N 2 0 224.348 1.005 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+][C@H]1CCN(CC(F)F)C1 ZINC001576384786 993290072 /nfs/dbraw/zinc/29/00/72/993290072.db2.gz WVJCHQYNSDOWFN-AEJSXWLSSA-N 2 0 247.333 1.041 20 0 BDADRP CC1(C)C[C@H](C[NH2+]C[C@@H]2CCC[NH2+]C2)CCO1 ZINC001576395493 993295199 /nfs/dbraw/zinc/29/51/99/993295199.db2.gz OANRNNVPFTXAFH-CHWSQXEVSA-N 2 0 240.391 1.781 20 0 BDADRP CC1(C)CCC([NH2+]C[C@@]2(O)CC[NH2+]C2)CC1 ZINC001576421162 993299444 /nfs/dbraw/zinc/29/94/44/993299444.db2.gz HYBOOYHMRWQXSY-CYBMUJFWSA-N 2 0 226.364 1.269 20 0 BDADRP CC1(C)SC[C@@H]1[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001576494966 993321557 /nfs/dbraw/zinc/32/15/57/993321557.db2.gz JTDKOGMNADCEQI-QMFGVRBNSA-N 2 0 212.362 1.350 20 0 BDADRP C[C@@]1(C[N@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)CCC[NH2+]C1 ZINC001576502951 993324110 /nfs/dbraw/zinc/32/41/10/993324110.db2.gz JLZBVDZZQZZLTG-XJFOESAGSA-N 2 0 238.375 1.079 20 0 BDADRP C[C@]1(C[N@@H+]2CC[C@@H](CC[NH3+])C2)CCCCO1 ZINC001576504002 993326491 /nfs/dbraw/zinc/32/64/91/993326491.db2.gz ZZOAXTNDJDBGLQ-CHWSQXEVSA-N 2 0 226.364 1.616 20 0 BDADRP C[C@@]1(C[NH2+][C@H]2C[C@H](C[NH3+])C2)CCCCO1 ZINC001576526500 993329753 /nfs/dbraw/zinc/32/97/53/993329753.db2.gz UGEXCXYGYUDNLZ-SRVKXCTJSA-N 2 0 212.337 1.273 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CCO[C@H]2C2CC2)CC[NH2+]C1 ZINC001576526247 993330460 /nfs/dbraw/zinc/33/04/60/993330460.db2.gz PDXOPULSFUBOFJ-AGIUHOORSA-N 2 0 224.348 1.143 20 0 BDADRP C[C@]1(C[NH2+][C@H]2CCCOC2)CCC[NH2+]C1 ZINC001576520138 993330543 /nfs/dbraw/zinc/33/05/43/993330543.db2.gz ZANGWJJVGAQOKG-RYUDHWBXSA-N 2 0 212.337 1.145 20 0 BDADRP CC1(C[NH2+]Cc2cccnc2N)CC[NH2+]CC1 ZINC001576526238 993330624 /nfs/dbraw/zinc/33/06/24/993330624.db2.gz OPMHOAXRTVYSNL-UHFFFAOYSA-N 2 0 234.347 1.143 20 0 BDADRP CC1([NH2+]Cc2cccc3c2CC[NH2+]C3)COC1 ZINC001576545738 993339324 /nfs/dbraw/zinc/33/93/24/993339324.db2.gz RPESPTYZIORKJH-UHFFFAOYSA-N 2 0 232.327 1.211 20 0 BDADRP C[C@@H]1[C@@H](CO)CC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001576571908 993347498 /nfs/dbraw/zinc/34/74/98/993347498.db2.gz HDMIDCMIDHVLJW-JHJVBQTASA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CC[NH2+][C@@H]3C[C@@H]32)C1 ZINC001576590804 993360264 /nfs/dbraw/zinc/36/02/64/993360264.db2.gz CTKNJIOFPAZZHV-RQJABVFESA-N 2 0 237.391 1.010 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CCO[C@@H](C)C2)C[C@H]1C[NH3+] ZINC001576596853 993362201 /nfs/dbraw/zinc/36/22/01/993362201.db2.gz AVIRILROUCREFQ-MROQNXINSA-N 2 0 226.364 1.328 20 0 BDADRP C[C@H]1C[C@@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(C)C2)CCO1 ZINC001576598204 993362759 /nfs/dbraw/zinc/36/27/59/993362759.db2.gz MQTIPJUNQRBBRM-FQUUOJAGSA-N 2 0 238.375 1.343 20 0 BDADRP C[C@H]1C[C@H](C[NH2+][C@@H]2CCCC[C@H]2O)CC[NH2+]1 ZINC001576599403 993364269 /nfs/dbraw/zinc/36/42/69/993364269.db2.gz UOIVPDWPGVIXFB-UMSGYPCISA-N 2 0 226.364 1.268 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC001576623983 993373429 /nfs/dbraw/zinc/37/34/29/993373429.db2.gz NPUHFCDOYVARFE-XQHKEYJVSA-N 3 0 225.380 1.186 20 0 BDADRP C[C@H]1CC[C@@](CO)([N@H+](C)CCCCCC[NH3+])C1 ZINC001576652795 993385260 /nfs/dbraw/zinc/38/52/60/993385260.db2.gz YUKFBHWIVMAPMJ-UONOGXRCSA-N 2 0 242.407 1.988 20 0 BDADRP COC[C@@H]([NH2+][C@H]1CCC[N@H+](C)CC1)C1CC1 ZINC000381312218 993385507 /nfs/dbraw/zinc/38/55/07/993385507.db2.gz LVVLQZIAFGXVNQ-QWHCGFSZSA-N 2 0 226.364 1.485 20 0 BDADRP CN1CC[C@H]([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000381374409 993388346 /nfs/dbraw/zinc/38/83/46/993388346.db2.gz JGTCPUHYPITNCE-AGIUHOORSA-N 2 0 225.380 1.153 20 0 BDADRP C[C@@H]1CCC[C@H]([NH2+]C[C@@]2(O)CC[NH2+]C2)CC1 ZINC001576679652 993391372 /nfs/dbraw/zinc/39/13/72/993391372.db2.gz FGCGYBLFBPJJDT-FRRDWIJNSA-N 2 0 226.364 1.269 20 0 BDADRP C[C@H]1CCC[C@@]1(O)C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC001576680992 993393932 /nfs/dbraw/zinc/39/39/32/993393932.db2.gz YBTHGZZLNFLMRG-SWLSCSKDSA-N 2 0 248.370 1.786 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@H]2COC(C)(C)O2)C[C@@H]1C[NH3+] ZINC001576731689 993407751 /nfs/dbraw/zinc/40/77/51/993407751.db2.gz MVSLRVJEHNTKJU-WOPDTQHZSA-N 2 0 242.363 1.055 20 0 BDADRP C[C@H]1CC[N@H+](C[C@@]2(O)CC[NH2+]C2)CC1(C)C ZINC001576729689 993409391 /nfs/dbraw/zinc/40/93/91/993409391.db2.gz WCTPPPJWXGEMAD-WCQYABFASA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@@H]1CO ZINC001576751690 993415331 /nfs/dbraw/zinc/41/53/31/993415331.db2.gz DHMZUIRUAXCWJA-FDYHWXHSSA-N 2 0 226.364 1.125 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C[C@@]1(C)CO ZINC001576807431 993427951 /nfs/dbraw/zinc/42/79/51/993427951.db2.gz PWPAVUUGMNMRNC-XQHKEYJVSA-N 2 0 226.364 1.064 20 0 BDADRP C1[C@H]2CCCC[C@@H]2C[NH+]1[C@@H]1CCC[NH2+]C1 ZINC000381910624 993432687 /nfs/dbraw/zinc/43/26/87/993432687.db2.gz ZSGQHCGQDSDDEH-JHJVBQTASA-N 2 0 208.349 1.860 20 0 BDADRP C[C@@H](C[NH3+])CN[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382028570 993436749 /nfs/dbraw/zinc/43/67/49/993436749.db2.gz CCTUAMCFVLGZFV-DZGCQCFKSA-N 2 0 247.386 1.445 20 0 BDADRP C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC001576905000 993450334 /nfs/dbraw/zinc/45/03/34/993450334.db2.gz ZTZHXGXYIOJYGS-QKFSQAGISA-N 2 0 226.364 1.243 20 0 BDADRP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001576903346 993450619 /nfs/dbraw/zinc/45/06/19/993450619.db2.gz IIOQIURMAHRXEV-VZPNMZGQSA-N 2 0 224.348 1.268 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@H+](C)CC1CC[NH2+]CC1 ZINC001576903408 993450636 /nfs/dbraw/zinc/45/06/36/993450636.db2.gz JJHNBINOGXHGGE-WCQYABFASA-N 2 0 226.364 1.343 20 0 BDADRP C[C@@H]1OCC[C@H]1[NH2+]C[C@@H]1CCC[NH2+]CC1 ZINC001576903072 993451155 /nfs/dbraw/zinc/45/11/55/993451155.db2.gz FMSOKLQESBKQCK-QJPTWQEYSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H]1SCC[C@@H]1[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001576913928 993452715 /nfs/dbraw/zinc/45/27/15/993452715.db2.gz MHARIURTGSLIID-GGOCBZKTSA-N 2 0 212.362 1.350 20 0 BDADRP C[C@H]1SCC[C@@H]1[NH2+]CCC1([NH3+])CCOCC1 ZINC001576915346 993454698 /nfs/dbraw/zinc/45/46/98/993454698.db2.gz VCNPNBBCHHRKFQ-MNOVXSKESA-N 2 0 244.404 1.368 20 0 BDADRP CC[C@](C)(C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)OC ZINC001576949875 993465041 /nfs/dbraw/zinc/46/50/41/993465041.db2.gz TYDFGKYDAUQOOJ-KGLIPLIRSA-N 2 0 240.391 1.877 20 0 BDADRP CC[C@H](C)[C@H](C)[NH+]1CCC([NH3+])(CO)CC1 ZINC001576960044 993467917 /nfs/dbraw/zinc/46/79/17/993467917.db2.gz ARADCZCKTHZKTN-QWRGUYRKSA-N 2 0 214.353 1.207 20 0 BDADRP CC[C@H](C)[C@@H](C[N@@H+]1CC[C@H](CC[NH3+])C1)OC ZINC001576960944 993470415 /nfs/dbraw/zinc/47/04/15/993470415.db2.gz IUZQMTYZZHZTEW-RWMBFGLXSA-N 2 0 228.380 1.718 20 0 BDADRP CC[C@H](C)C[C@H](CO)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC001576969359 993472785 /nfs/dbraw/zinc/47/27/85/993472785.db2.gz BJFUVWAGQMVUBF-LOWDOPEQSA-N 2 0 240.391 1.643 20 0 BDADRP CC[C@@H](C)[C@@H](C(=O)OC)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC001576965741 993473332 /nfs/dbraw/zinc/47/33/32/993473332.db2.gz DHJZDVGTYQFIMB-KKOKHZNYSA-N 2 0 242.363 1.101 20 0 BDADRP CC[C@H](C)[C@H](C(=O)OC)[NH+]1CCC(C[NH3+])CC1 ZINC001576966779 993473474 /nfs/dbraw/zinc/47/34/74/993473474.db2.gz LIINLVKZYKEKHA-CMPLNLGQSA-N 2 0 242.363 1.245 20 0 BDADRP CC[C@H](C)[C@@H](C[NH2+]C1CC2(C[C@@H]2[NH3+])C1)OC ZINC001576970962 993476018 /nfs/dbraw/zinc/47/60/18/993476018.db2.gz MCCVEWXGCZWYFD-XNDORFDGSA-N 2 0 226.364 1.517 20 0 BDADRP CCC(CC)(C[NH3+])C[NH2+][C@@H](C)C[S@](C)=O ZINC001577051830 993490595 /nfs/dbraw/zinc/49/05/95/993490595.db2.gz AKOQUVIUFYPHMV-BONVTDFDSA-N 2 0 234.409 1.108 20 0 BDADRP CCC(CC)(C[NH3+])C[NH2+]C[C@H](CO)C(C)C ZINC001577052096 993490773 /nfs/dbraw/zinc/49/07/73/993490773.db2.gz ICWUUSWOYNEXBS-GFCCVEGCSA-N 2 0 230.396 1.606 20 0 BDADRP CCC(CC)(C[NH2+]CC(C)(C)[NH3+])C(=O)OC ZINC001577060615 993492044 /nfs/dbraw/zinc/49/20/44/993492044.db2.gz VKEDJXOOPHAUEA-UHFFFAOYSA-N 2 0 230.352 1.293 20 0 BDADRP CCC(CC)CCC[N@H+](C)C[C@](C)(O)C[NH3+] ZINC001577069839 993492369 /nfs/dbraw/zinc/49/23/69/993492369.db2.gz VUWVMXUKYLXBPJ-CYBMUJFWSA-N 2 0 230.396 1.844 20 0 BDADRP CC[C@@H](CNCC12CC(C1)C[NH2+]2)[NH+]1CCCC1 ZINC001577090583 993497297 /nfs/dbraw/zinc/49/72/97/993497297.db2.gz SXACETAOMUNUOL-MOKVOYLWSA-N 2 0 237.391 1.202 20 0 BDADRP CC[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)C(=O)OC ZINC001577089855 993497413 /nfs/dbraw/zinc/49/74/13/993497413.db2.gz OGDHVHCOXIZQLS-MXWKQRLJSA-N 2 0 240.347 1.045 20 0 BDADRP CC[C@H](CO)[N@@H+]1C[C@@H]2CCCC[C@]2(C[NH3+])C1 ZINC001577090099 993498755 /nfs/dbraw/zinc/49/87/55/993498755.db2.gz PKQVVAFVISCWLI-XQQFMLRXSA-N 2 0 226.364 1.208 20 0 BDADRP CCC(O)(CC)C[N@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC001577179115 993532723 /nfs/dbraw/zinc/53/27/23/993532723.db2.gz DEHRYEZKYKBCLS-NEPJUHHUSA-N 2 0 228.380 1.325 20 0 BDADRP CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)[C@@H]1CCCCO1 ZINC001577175505 993532490 /nfs/dbraw/zinc/53/24/90/993532490.db2.gz AKPKCSHHBIMZIZ-MCIONIFRSA-N 2 0 240.391 1.923 20 0 BDADRP Cc1nccn1CC[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC000384148971 993550277 /nfs/dbraw/zinc/55/02/77/993550277.db2.gz PJJXIMZAZKEMAU-ZDUSSCGKSA-N 2 0 236.363 1.265 20 0 BDADRP CC[C@H]1C[C@H]([NH2+][C@H]2CC[NH2+][C@@H]2C)CCO1 ZINC001577242967 993553115 /nfs/dbraw/zinc/55/31/15/993553115.db2.gz YDVFORMEZZHWED-WYUUTHIRSA-N 2 0 212.337 1.284 20 0 BDADRP CCC[C@H](C)[C@H](CO)[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001577336196 993601069 /nfs/dbraw/zinc/60/10/69/993601069.db2.gz KYZCAYQZUNPICE-PHKUEXBLSA-N 2 0 226.364 1.253 20 0 BDADRP CCC[C@H](C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1)OC ZINC001577357669 993618025 /nfs/dbraw/zinc/61/80/25/993618025.db2.gz DWXPALQVYORITG-FRRDWIJNSA-N 2 0 226.364 1.343 20 0 BDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC001577444873 993664637 /nfs/dbraw/zinc/66/46/37/993664637.db2.gz HKDIGEMHYABWTE-IJLUTSLNSA-N 2 0 243.395 1.206 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)[C@H](C)[C@H](C)[NH3+] ZINC001577510252 993675023 /nfs/dbraw/zinc/67/50/23/993675023.db2.gz HKULHHNMDDQFAJ-TUAOUCFPSA-N 2 0 243.395 1.206 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C ZINC001577510200 993676530 /nfs/dbraw/zinc/67/65/30/993676530.db2.gz FEBYHMZTSOSGAK-RYUDHWBXSA-N 2 0 243.395 1.206 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001577510510 993677068 /nfs/dbraw/zinc/67/70/68/993677068.db2.gz QHGJQGFXTNTCLA-HZSPNIEDSA-N 2 0 241.423 1.837 20 0 BDADRP CCCN(CC[NH+](CC)CC)C(=O)[C@H]([NH3+])CC ZINC001577519730 993677471 /nfs/dbraw/zinc/67/74/71/993677471.db2.gz UIKATUBWRHYCGU-GFCCVEGCSA-N 2 0 243.395 1.304 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H](C)O ZINC000386751862 993695811 /nfs/dbraw/zinc/69/58/11/993695811.db2.gz GSNFNXGFECUSOZ-RNJOBUHISA-N 2 0 226.364 1.362 20 0 BDADRP CCCn1cncc1C[NH2+][C@@H](C)CC[NH3+] ZINC001577624659 993699875 /nfs/dbraw/zinc/69/98/75/993699875.db2.gz FYZKBYVMWIXQFU-JTQLQIEISA-N 2 0 210.325 1.120 20 0 BDADRP CC(C)(C)[C@H](O)C[NH+]1CCC(C[NH3+])CC1 ZINC000389310310 993743176 /nfs/dbraw/zinc/74/31/76/993743176.db2.gz BKEJISPKHOHAQH-LLVKDONJSA-N 2 0 214.353 1.064 20 0 BDADRP c1ccc(COCCC[NH2+]C2CC[NH2+]CC2)cc1 ZINC000390073574 993776734 /nfs/dbraw/zinc/77/67/34/993776734.db2.gz PFAVTEPGIWQIAV-UHFFFAOYSA-N 2 0 248.370 1.935 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+]Cc2cc[nH]c(=O)c2)CC1 ZINC000392644117 993874932 /nfs/dbraw/zinc/87/49/32/993874932.db2.gz QOGRRNWLZIGERM-LBPRGKRZSA-N 2 0 235.331 1.361 20 0 BDADRP CCCO[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000701718151 993906260 /nfs/dbraw/zinc/90/62/60/993906260.db2.gz DYYSIUSOYBTXDH-ZDUSSCGKSA-N 2 0 226.364 1.487 20 0 BDADRP CC[N@@H+]1CC[C@H](NCCC[NH+]2CCCC2)C1 ZINC000393264405 993922893 /nfs/dbraw/zinc/92/28/93/993922893.db2.gz MJWUULFHIOAWEK-ZDUSSCGKSA-N 2 0 225.380 1.156 20 0 BDADRP OC[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)CC1 ZINC000393520189 993958251 /nfs/dbraw/zinc/95/82/51/993958251.db2.gz NXMPYXCLVFBYBC-ZDUSSCGKSA-N 2 0 226.364 1.080 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@@H](CO)C(C)(C)C)CC1 ZINC000393987468 994028077 /nfs/dbraw/zinc/02/80/77/994028077.db2.gz JBGMMIABWJWWFF-ZDUSSCGKSA-N 2 0 242.407 1.856 20 0 BDADRP CC[N@H+](C)[C@@H](C)CNC(=O)CCCC[NH+](C)C ZINC001282477035 994235872 /nfs/dbraw/zinc/23/58/72/994235872.db2.gz FEFQOJDSYNVUSH-LBPRGKRZSA-N 2 0 243.395 1.175 20 0 BDADRP Cc1cccnc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001332816930 994367407 /nfs/dbraw/zinc/36/74/07/994367407.db2.gz ZOWWKRHDPZUFFI-STQMWFEESA-N 2 0 233.359 1.807 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH2+]C1CCSCC1 ZINC000822127103 994418075 /nfs/dbraw/zinc/41/80/75/994418075.db2.gz FNZFLOYBDRCBFC-LBPRGKRZSA-N 2 0 228.405 1.956 20 0 BDADRP C[NH2+][C@@H](C)CC[NH2+]Cc1ccc(C[NH3+])cc1 ZINC001334775108 994633716 /nfs/dbraw/zinc/63/37/16/994633716.db2.gz RLYHAMCRIZYMJQ-NSHDSACASA-N 2 0 221.348 1.233 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+]CC2(OC)CCC2)C1 ZINC001336732426 995088640 /nfs/dbraw/zinc/08/86/40/995088640.db2.gz QDHLYWJNGHIKOL-GFCCVEGCSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@H]([C@H](C)O)[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001308040232 995528864 /nfs/dbraw/zinc/52/88/64/995528864.db2.gz KLOLVBQWNACVRO-XQQFMLRXSA-N 2 0 249.358 1.361 20 0 BDADRP C[NH2+][C@@H](C)C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000518794634 349487512 /nfs/dbraw/zinc/48/75/12/349487512.db2.gz KSNRZYKFMCNLPA-WCQYABFASA-N 2 0 249.358 1.191 20 0 BDADRP Cc1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)ccc1F ZINC000050559350 178004064 /nfs/dbraw/zinc/00/40/64/178004064.db2.gz UCLMXWDMFRCJBB-GFCCVEGCSA-N 2 0 222.307 1.915 20 0 BDADRP C[C@H](C[C@@H]1CCCO1)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422907810 398158054 /nfs/dbraw/zinc/15/80/54/398158054.db2.gz XRTCYNWKPZAHPO-FVCCEPFGSA-N 2 0 226.364 1.674 20 0 BDADRP C[N@H+](C[C@@H]1CCC[NH2+]C1)C[C@@H]1CCCCO1 ZINC000042466610 398172988 /nfs/dbraw/zinc/17/29/88/398172988.db2.gz FYAUPBBJHNIWSV-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)ccn1 ZINC000336233893 178040315 /nfs/dbraw/zinc/04/03/15/178040315.db2.gz YGWXYWNGTLCZFV-FZMZJTMJSA-N 2 0 233.359 1.820 20 0 BDADRP COC[C@H]1CCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000162152924 538920982 /nfs/dbraw/zinc/92/09/82/538920982.db2.gz VUFSYBMGWXZILN-CHWSQXEVSA-N 2 0 226.364 1.582 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CCSCC(F)(F)F ZINC000423021684 398161908 /nfs/dbraw/zinc/16/19/08/398161908.db2.gz FXZNRQALDXAOST-QMMMGPOBSA-N 2 0 244.326 1.999 20 0 BDADRP OC[C@H](CC1CCCC1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000423022694 398162071 /nfs/dbraw/zinc/16/20/71/398162071.db2.gz IEXIUSZEVLFIDS-KBPBESRZSA-N 2 0 240.391 1.659 20 0 BDADRP OC[C@@H](CC1CCCC1)[NH2+]C1CC[NH2+]CC1 ZINC000423023527 398163352 /nfs/dbraw/zinc/16/33/52/398163352.db2.gz JWTBHVGYIBFLID-CYBMUJFWSA-N 2 0 226.364 1.269 20 0 BDADRP C[NH+](C)CCOCC[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000338009421 187326832 /nfs/dbraw/zinc/32/68/32/187326832.db2.gz RLYIDMNLVJYPSP-KBPBESRZSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430920061 192027566 /nfs/dbraw/zinc/02/75/66/192027566.db2.gz NJGRDNBBAZIJNZ-MCIONIFRSA-N 2 0 240.391 1.862 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](CCn2nc(C)cc2C)C1 ZINC000386764900 398219804 /nfs/dbraw/zinc/21/98/04/398219804.db2.gz JEUCATLMYPWVIC-ZDUSSCGKSA-N 2 0 236.363 1.041 20 0 BDADRP Cc1cc(NC[C@@H](C)C[NH+]2CCOCC2)cc[nH+]1 ZINC000274931623 178165635 /nfs/dbraw/zinc/16/56/35/178165635.db2.gz QXEJNHDDTIAIHO-GFCCVEGCSA-N 2 0 249.358 1.770 20 0 BDADRP CC[N@@H+]1CC[C@H](N(C)C[C@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000649413776 398212287 /nfs/dbraw/zinc/21/22/87/398212287.db2.gz CNNHBELQXNEWFO-RDBSUJKOSA-N 2 0 239.407 1.258 20 0 BDADRP Cc1cc(NCC[C@H]2CC[NH2+]C2)cc[nH+]1 ZINC000229575128 178163344 /nfs/dbraw/zinc/16/33/44/178163344.db2.gz XGCNDKZLYYNZNZ-LLVKDONJSA-N 2 0 205.305 1.802 20 0 BDADRP CC[C@@H]([NH2+][C@H](C)CCC[NH3+])C(C)(C)O ZINC000394018290 259300804 /nfs/dbraw/zinc/30/08/04/259300804.db2.gz VHAKFEAZXMRLQZ-NXEZZACHSA-N 2 0 202.342 1.253 20 0 BDADRP Cc1cc(C)n(CC[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)n1 ZINC000386834592 398220960 /nfs/dbraw/zinc/22/09/60/398220960.db2.gz WOUCKRLHLWSFTN-DGCLKSJQSA-N 2 0 236.363 1.169 20 0 BDADRP C[C@H]([NH3+])CC(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000430762610 398230393 /nfs/dbraw/zinc/23/03/93/398230393.db2.gz OPKPKMPFNRUYFU-TUAOUCFPSA-N 2 0 241.379 1.103 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+]CC2([NH3+])CCC2)C1 ZINC000643517921 398230833 /nfs/dbraw/zinc/23/08/33/398230833.db2.gz AVWLZCFAEBZHQQ-MNOVXSKESA-N 2 0 212.337 1.415 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1CC(NC1CC[NH+](C)CC1)C2 ZINC000037266992 361801010 /nfs/dbraw/zinc/80/10/10/361801010.db2.gz AHECJUAQIHJTQC-AGUYFDCRSA-N 2 0 237.391 1.295 20 0 BDADRP CCN1CCC[C@@H]1C[N@H+](C)CC1CC[NH2+]CC1 ZINC000092629321 398235727 /nfs/dbraw/zinc/23/57/27/398235727.db2.gz CXJNDUCQRLKIKA-CQSZACIVSA-N 2 0 239.407 1.402 20 0 BDADRP c1cn(CC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cn1 ZINC000161989770 349528119 /nfs/dbraw/zinc/52/81/19/349528119.db2.gz QEINNCUEJPYFNF-CQSZACIVSA-N 3 0 248.374 1.301 20 0 BDADRP Cc1ccc2ncc(C[NH2+][C@H](C)C[C@H](C)[NH3+])n2c1 ZINC000576518319 365616517 /nfs/dbraw/zinc/61/65/17/365616517.db2.gz RROOYLHLVFBFRO-NWDGAFQWSA-N 2 0 246.358 1.858 20 0 BDADRP CC[NH+](CC)CCOCC[NH2+][C@@H](C)C(C)C ZINC000336778154 398244075 /nfs/dbraw/zinc/24/40/75/398244075.db2.gz KMTOWJPVXBLQKP-ZDUSSCGKSA-N 2 0 230.396 1.979 20 0 BDADRP CCC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)COC1 ZINC000343634797 365613296 /nfs/dbraw/zinc/61/32/96/365613296.db2.gz VEGNQODASSVAHV-CHWSQXEVSA-N 2 0 238.375 1.629 20 0 BDADRP CC[C@@H]([NH3+])CNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000576636134 365644482 /nfs/dbraw/zinc/64/44/82/365644482.db2.gz PMOMFCLLIDIDFC-NEPJUHHUSA-N 2 0 241.379 1.104 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000166566363 361853719 /nfs/dbraw/zinc/85/37/19/361853719.db2.gz JOYACOLPGACSIP-VXGBXAGGSA-N 2 0 216.369 1.730 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCC[C@@H](O)C2)CC1 ZINC000037164683 538961710 /nfs/dbraw/zinc/96/17/10/538961710.db2.gz HAXIJNYYROTBKB-UONOGXRCSA-N 2 0 240.391 1.752 20 0 BDADRP C[C@H]([NH2+]CC(C)(C)N(C)C)C1CC[NH+](C)CC1 ZINC000037220637 538961909 /nfs/dbraw/zinc/96/19/09/538961909.db2.gz GJQGYCSEGBXCPR-LBPRGKRZSA-N 2 0 241.423 1.647 20 0 BDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000583937443 342728649 /nfs/dbraw/zinc/72/86/49/342728649.db2.gz NCVIGRJXTAOGCY-SDDRHHMPSA-N 2 0 241.379 1.103 20 0 BDADRP CCSCC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000309618296 342753277 /nfs/dbraw/zinc/75/32/77/342753277.db2.gz FYXQBSMZAVUNSD-LBPRGKRZSA-N 2 0 228.405 1.815 20 0 BDADRP CC[C@]1(C(=O)N[C@@H](C)CCCC[NH3+])CCC[NH2+]1 ZINC000494670315 529387821 /nfs/dbraw/zinc/38/78/21/529387821.db2.gz DZAFMCPIKIWNOL-WCQYABFASA-N 2 0 241.379 1.152 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622003648 398284055 /nfs/dbraw/zinc/28/40/55/398284055.db2.gz CYNGGMGXAGRUAE-AVGNSLFASA-N 2 0 225.380 1.173 20 0 BDADRP C[NH2+]CCC[NH2+]C/C=C\c1ccccc1 ZINC000035535635 342791730 /nfs/dbraw/zinc/79/17/30/342791730.db2.gz SLOMLOMTVOVWHG-UITAMQMPSA-N 2 0 204.317 1.899 20 0 BDADRP c1csc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000031993289 342795991 /nfs/dbraw/zinc/79/59/91/342795991.db2.gz ICPUKNLFHLGDPL-GFCCVEGCSA-N 2 0 222.357 1.934 20 0 BDADRP Cc1cc(CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)on1 ZINC000581835026 342811337 /nfs/dbraw/zinc/81/13/37/342811337.db2.gz KCSRZMZPSISTMV-WDEREUQCSA-N 2 0 223.320 1.385 20 0 BDADRP C[C@H]([NH2+]CC1=CCCOC1)C1CC[NH+](C)CC1 ZINC000379738846 538979776 /nfs/dbraw/zinc/97/97/76/538979776.db2.gz FEODLKGSKIYQFD-LBPRGKRZSA-N 2 0 238.375 1.653 20 0 BDADRP C[C@H](C[NH2+][C@H]1CCC12CCOCC2)C[NH+](C)C ZINC000562342275 323017207 /nfs/dbraw/zinc/01/72/07/323017207.db2.gz PJONDIUBSGNWCP-OLZOCXBDSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)CC[C@@H]1O ZINC000167205302 136244801 /nfs/dbraw/zinc/24/48/01/136244801.db2.gz FZFDCGUSCCKSTC-RDBSUJKOSA-N 2 0 240.391 1.564 20 0 BDADRP CC(C)OCCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351480148 136246248 /nfs/dbraw/zinc/24/62/48/136246248.db2.gz TYYMNTOQNCTYDE-RWMBFGLXSA-N 2 0 226.364 1.471 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](CCCCCF)C1 ZINC000308454801 346874032 /nfs/dbraw/zinc/87/40/32/346874032.db2.gz DMEYSCGJFMEGSJ-NSHDSACASA-N 2 0 202.317 1.797 20 0 BDADRP COC(=O)C1(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000602624163 349641994 /nfs/dbraw/zinc/64/19/94/349641994.db2.gz PTXMJVCZYCSZCO-GHMZBOCLSA-N 2 0 240.347 1.012 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+]CC(C)(C)[NH3+] ZINC000308693042 168408114 /nfs/dbraw/zinc/40/81/14/168408114.db2.gz SAIMHEJMKRURFN-SNVBAGLBSA-N 2 0 202.342 1.110 20 0 BDADRP Cc1ccc(CNC[C@@H]([NH3+])C2CC2)s1 ZINC000399485204 398326360 /nfs/dbraw/zinc/32/63/60/398326360.db2.gz RKWFJKQQGJNNOJ-LLVKDONJSA-N 2 0 210.346 1.883 20 0 BDADRP CC[C@]1(O)CC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000495259538 529442192 /nfs/dbraw/zinc/44/21/92/529442192.db2.gz APGXOXLCYNSNJG-KBPBESRZSA-N 2 0 240.391 1.708 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](COC)C(C)C ZINC000234753104 342939935 /nfs/dbraw/zinc/93/99/35/342939935.db2.gz RKROJQITCKXKFK-VXGBXAGGSA-N 2 0 232.368 1.001 20 0 BDADRP CCOCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000038000179 398335634 /nfs/dbraw/zinc/33/56/34/398335634.db2.gz YYIFFNWWCIKGGI-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H]1CCCC[C@H]1C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313350924 259333811 /nfs/dbraw/zinc/33/38/11/259333811.db2.gz LBYMDSPWBHLWAF-HZSPNIEDSA-N 2 0 240.391 1.862 20 0 BDADRP CCc1noc(C)c1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351853559 136257989 /nfs/dbraw/zinc/25/79/89/136257989.db2.gz PBDDZJGHUDDIKJ-MWLCHTKSSA-N 2 0 237.347 1.715 20 0 BDADRP C[C@H](Cc1ccc(O)cc1)[N@H+](C)CCC[NH3+] ZINC000122925974 187226496 /nfs/dbraw/zinc/22/64/96/187226496.db2.gz XATOUXIMCOFGFF-LLVKDONJSA-N 2 0 222.332 1.604 20 0 BDADRP COC[C@H](C)C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000562902484 323033121 /nfs/dbraw/zinc/03/31/21/323033121.db2.gz WOCNBMONAHYRIH-RDBSUJKOSA-N 2 0 240.391 1.685 20 0 BDADRP CCC[C@H](CCO)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386485990 343068326 /nfs/dbraw/zinc/06/83/26/343068326.db2.gz SWYAAAPNFIXKBN-MCIONIFRSA-N 2 0 242.407 1.905 20 0 BDADRP CCC[C@H](CCO)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386485992 343068361 /nfs/dbraw/zinc/06/83/61/343068361.db2.gz SWYAAAPNFIXKBN-MJBXVCDLSA-N 2 0 242.407 1.905 20 0 BDADRP COC[C@H](C)C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000562902483 323033153 /nfs/dbraw/zinc/03/31/53/323033153.db2.gz WOCNBMONAHYRIH-MGPQQGTHSA-N 2 0 240.391 1.685 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@@H]1CCCCO1 ZINC000042821775 362026982 /nfs/dbraw/zinc/02/69/82/362026982.db2.gz PKPAUSDVZPNXOB-UTUOFQBUSA-N 2 0 212.337 1.367 20 0 BDADRP CC[NH2+]Cc1ccccc1NC(=O)[C@H](C)C[NH2+]C ZINC000237073246 343121219 /nfs/dbraw/zinc/12/12/19/343121219.db2.gz WBYBYLMXCIZSDS-LLVKDONJSA-N 2 0 249.358 1.590 20 0 BDADRP COc1ccc(C[NH2+]C[C@@H](C)C[NH+](C)C)cc1 ZINC000291663477 187240696 /nfs/dbraw/zinc/24/06/96/187240696.db2.gz FILRZXZYMKGOKD-GFCCVEGCSA-N 2 0 236.359 1.983 20 0 BDADRP C[C@H](c1cnccn1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000130586144 343181525 /nfs/dbraw/zinc/18/15/25/343181525.db2.gz BPFRPQXEPYUVJX-XQHKEYJVSA-N 2 0 246.358 1.597 20 0 BDADRP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000093215215 343151324 /nfs/dbraw/zinc/15/13/24/343151324.db2.gz BGKLJHMLLWFNHA-SDDRHHMPSA-N 2 0 241.379 1.151 20 0 BDADRP Cc1c([C@@H](C)[NH2+]CC2CC[NH2+]CC2)cnn1C ZINC000094010195 343151862 /nfs/dbraw/zinc/15/18/62/343151862.db2.gz PXGZBRYBWIGCDB-SNVBAGLBSA-N 2 0 236.363 1.379 20 0 BDADRP C[NH2+]C[C@@H](C)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000092133676 343153445 /nfs/dbraw/zinc/15/34/45/343153445.db2.gz JRNFTEAOWMOOQW-LLVKDONJSA-N 2 0 249.358 1.542 20 0 BDADRP C[C@H]([NH2+][C@@H](CO)C1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000400481703 259354082 /nfs/dbraw/zinc/35/40/82/259354082.db2.gz WJIYVESVBJGYLT-UBHSHLNASA-N 2 0 240.391 1.658 20 0 BDADRP COCC1([NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)CCCC1 ZINC000576958035 365734455 /nfs/dbraw/zinc/73/44/55/365734455.db2.gz YAQFAPZHDBFXSZ-QWHCGFSZSA-N 2 0 240.391 1.923 20 0 BDADRP CC1CCC([NH2+]C[C@](C)(O)C[NH+](C)C)CC1 ZINC000125912193 343167907 /nfs/dbraw/zinc/16/79/07/343167907.db2.gz VMQIIZJUJLDYGI-BPCQOVAHSA-N 2 0 228.380 1.467 20 0 BDADRP C[NH+](C)C[C@](C)(O)C[NH2+]C1CCCCCC1 ZINC000125897658 343167981 /nfs/dbraw/zinc/16/79/81/343167981.db2.gz UIWBMKYFJPVRNJ-CYBMUJFWSA-N 2 0 228.380 1.611 20 0 BDADRP CC(C)OCC[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000133507500 343191383 /nfs/dbraw/zinc/19/13/83/343191383.db2.gz WZCJJXFMTSUZLY-QWRGUYRKSA-N 2 0 200.326 1.223 20 0 BDADRP CC(C)[NH2+]CCC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000131932676 343237623 /nfs/dbraw/zinc/23/76/23/343237623.db2.gz LPGKUYMOZKUZEQ-VXGBXAGGSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@H]1CC[C@@H](CN2CCC[C@H]3C[NH2+]C[C@H]32)O1 ZINC000634688201 343245982 /nfs/dbraw/zinc/24/59/82/343245982.db2.gz LMFCZFLXZMPHLL-ZDEQEGDKSA-N 2 0 224.348 1.238 20 0 BDADRP [NH3+]CCCN1CC[C@@H](C[NH3+])c2ccccc21 ZINC000634690094 343272707 /nfs/dbraw/zinc/27/27/07/343272707.db2.gz CPIKGFLXSXKCOV-NSHDSACASA-N 2 0 219.332 1.288 20 0 BDADRP CC[C@H](O)C[NH2+]C[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000569837695 323042183 /nfs/dbraw/zinc/04/21/83/323042183.db2.gz UFEXGGTVMBMSQI-STQMWFEESA-N 2 0 228.380 1.325 20 0 BDADRP Cc1n[nH]cc1C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000335613007 136295521 /nfs/dbraw/zinc/29/55/21/136295521.db2.gz QPXORSNGFYMYOC-CABZTGNLSA-N 2 0 222.336 1.196 20 0 BDADRP c1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)nc1 ZINC000335636020 136300858 /nfs/dbraw/zinc/30/08/58/136300858.db2.gz SYTYKEJGYILEHP-UONOGXRCSA-N 2 0 245.370 1.903 20 0 BDADRP C[NH2+]C[C@@](C)(O)C[N@H+](C)CCc1ccccc1 ZINC000569855154 323042801 /nfs/dbraw/zinc/04/28/01/323042801.db2.gz PBCZYIOFCCGXEL-CQSZACIVSA-N 2 0 236.359 1.131 20 0 BDADRP CC[C@@H](COC)[NH2+]CCC[NH+]1CCCC1 ZINC000070623737 343335807 /nfs/dbraw/zinc/33/58/07/343335807.db2.gz NIFIIQYGBCCLKW-LBPRGKRZSA-N 2 0 214.353 1.487 20 0 BDADRP Cc1ccc(CN[C@H]2CC[NH2+][C@H](C)C2)nc1 ZINC000335641614 136308559 /nfs/dbraw/zinc/30/85/59/136308559.db2.gz URDMUCJGSNOPCF-NEPJUHHUSA-N 2 0 219.332 1.620 20 0 BDADRP C[C@@H]1C[C@H]1C[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000349151975 136326711 /nfs/dbraw/zinc/32/67/11/136326711.db2.gz PFSNJLNSKSNCHW-WOPDTQHZSA-N 2 0 219.332 1.865 20 0 BDADRP CCO[C@@H]1C[C@@H]1[NH2+][C@H]1CCN(C)C[C@@H]1C ZINC000380159846 343420333 /nfs/dbraw/zinc/42/03/33/343420333.db2.gz AKUPBCSDUTXZPN-FIQHERPVSA-N 2 0 212.337 1.094 20 0 BDADRP CC(C)[C@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000166320151 136344507 /nfs/dbraw/zinc/34/45/07/136344507.db2.gz HDMZDYKCWPQSPH-QWHCGFSZSA-N 2 0 210.365 1.964 20 0 BDADRP C[C@H]1C[C@H]1C[N@H+](C)CCCn1ccnc1 ZINC000349423418 136345580 /nfs/dbraw/zinc/34/55/80/136345580.db2.gz XGCBTJUGGUPFEY-RYUDHWBXSA-N 2 0 207.321 1.861 20 0 BDADRP C[N@H+](C[C@@H]1CCCOC1)C1CC[NH2+]CC1 ZINC000082545996 343447952 /nfs/dbraw/zinc/44/79/52/343447952.db2.gz WXPMJPRKELCERN-NSHDSACASA-N 2 0 212.337 1.097 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](O)CC1 ZINC000335888781 136358321 /nfs/dbraw/zinc/35/83/21/136358321.db2.gz XVRYKUDFYAFNHO-CHWSQXEVSA-N 2 0 226.364 1.318 20 0 BDADRP COCC[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000086500490 536893840 /nfs/dbraw/zinc/89/38/40/536893840.db2.gz IHYPBBQQEGLNNX-VXGBXAGGSA-N 2 0 214.353 1.533 20 0 BDADRP COC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(C)C ZINC000130217348 136372687 /nfs/dbraw/zinc/37/26/87/136372687.db2.gz UPULBHXGRKMVNR-MCIONIFRSA-N 2 0 240.391 1.874 20 0 BDADRP Cc1ccc(C)c(C[N@H+](C)C[C@H](O)C[NH3+])c1 ZINC000258991110 136374234 /nfs/dbraw/zinc/37/42/34/136374234.db2.gz MNXYNXMIZFNWCW-CYBMUJFWSA-N 2 0 222.332 1.055 20 0 BDADRP COCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250180785 536894388 /nfs/dbraw/zinc/89/43/88/536894388.db2.gz VNEKBSMVTMNSOX-IJLUTSLNSA-N 2 0 212.337 1.143 20 0 BDADRP CC[N@H+](C)C[C@@H](O)CN(C)Cc1ccc(C)o1 ZINC000310535712 343527672 /nfs/dbraw/zinc/52/76/72/343527672.db2.gz PGBNKNDFJYJYSE-GFCCVEGCSA-N 2 0 240.347 1.332 20 0 BDADRP Cc1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)ccn1 ZINC000391278298 343667091 /nfs/dbraw/zinc/66/70/91/343667091.db2.gz DMWVXUKAAIEDHR-GFCCVEGCSA-N 2 0 205.305 1.171 20 0 BDADRP CC1(C)CCC[N@@H+]1CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000584182717 343770793 /nfs/dbraw/zinc/77/07/93/343770793.db2.gz IZLCBYCJDRHDRR-STQMWFEESA-N 2 0 239.407 1.720 20 0 BDADRP C1C[C@@]2(C[N@@H+]1C1CC[NH2+]CC1)CCCCO2 ZINC000409431417 343823340 /nfs/dbraw/zinc/82/33/40/343823340.db2.gz SFSZXKRFQNOACU-CYBMUJFWSA-N 2 0 224.348 1.383 20 0 BDADRP CN(CCC[NH+](C)C)Cc1ccc2c(n1)CCC2 ZINC000577159122 343858389 /nfs/dbraw/zinc/85/83/89/343858389.db2.gz QWGKJDDMEPTEML-UHFFFAOYSA-N 2 0 247.386 1.954 20 0 BDADRP COc1ccc(CN(C)CC(C)(C)[NH3+])cc1 ZINC000042442250 187354966 /nfs/dbraw/zinc/35/49/66/187354966.db2.gz PASUHLLMWZRBKT-UHFFFAOYSA-N 2 0 222.332 1.864 20 0 BDADRP C[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000577178950 343907370 /nfs/dbraw/zinc/90/73/70/343907370.db2.gz VVKAUNOLADHQBR-MFKMUULPSA-N 2 0 220.316 1.412 20 0 BDADRP CC(C)C[C@H](CNC(=O)[C@@H]([NH3+])C(C)C)[NH+](C)C ZINC000040831276 187355152 /nfs/dbraw/zinc/35/51/52/187355152.db2.gz LRLBUXOXKUELGP-NEPJUHHUSA-N 2 0 243.395 1.062 20 0 BDADRP CCC[NH+]1CCC(NC(=O)CCCC[NH3+])CC1 ZINC000070203245 343948826 /nfs/dbraw/zinc/94/88/26/343948826.db2.gz TWCLLUFNAMEKCG-UHFFFAOYSA-N 2 0 241.379 1.106 20 0 BDADRP C[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732432 344107100 /nfs/dbraw/zinc/10/71/00/344107100.db2.gz GOYMGQFSADZTDE-SDDRHHMPSA-N 2 0 226.364 1.532 20 0 BDADRP COC[C@H](C)C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733427 344113224 /nfs/dbraw/zinc/11/32/24/344113224.db2.gz FNTXKMVZKZNGEX-VXGBXAGGSA-N 2 0 228.380 1.637 20 0 BDADRP COC[C@H](C)C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634733851 344114612 /nfs/dbraw/zinc/11/46/12/344114612.db2.gz PQSTZRBYNRBAHD-UTUOFQBUSA-N 2 0 212.337 1.001 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H]2CCOC2(C)C)CC1 ZINC000328244287 344141587 /nfs/dbraw/zinc/14/15/87/344141587.db2.gz MALDIYKXTZIQOR-ZDUSSCGKSA-N 2 0 240.391 1.875 20 0 BDADRP CCN(C)C[C@@H](O)C[N@H+]([C@@H](C)C1CC1)C1CC1 ZINC000570737121 323068935 /nfs/dbraw/zinc/06/89/35/323068935.db2.gz RFJULMHJLOHSNZ-SMDDNHRTSA-N 2 0 240.391 1.562 20 0 BDADRP CC[NH+](CC)CCCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000086401971 344216983 /nfs/dbraw/zinc/21/69/83/344216983.db2.gz KVQMFPHRLKEOEL-QWHCGFSZSA-N 3 0 227.396 1.578 20 0 BDADRP COCCCC[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000131058607 344226886 /nfs/dbraw/zinc/22/68/86/344226886.db2.gz BKFICJFTAITANF-LBPRGKRZSA-N 2 0 214.353 1.474 20 0 BDADRP CO[C@@H](C)[C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000131888440 344237890 /nfs/dbraw/zinc/23/78/90/344237890.db2.gz UOZKGEMYXMWWFF-MNOVXSKESA-N 2 0 216.369 1.587 20 0 BDADRP CC(C)[N@@H+](C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000236648057 187289879 /nfs/dbraw/zinc/28/98/79/187289879.db2.gz OEAUQWQCVKNWER-NEPJUHHUSA-N 2 0 241.379 1.055 20 0 BDADRP COc1cc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)ccn1 ZINC000093216019 344312756 /nfs/dbraw/zinc/31/27/56/344312756.db2.gz GNXVKLAXEHWFNB-VXGBXAGGSA-N 2 0 235.331 1.450 20 0 BDADRP CO[C@@H](C)[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000133335843 344315747 /nfs/dbraw/zinc/31/57/47/344315747.db2.gz FLQBHKZYPWWNGM-MNOVXSKESA-N 2 0 214.353 1.341 20 0 BDADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)C[C@@H]1CCOC1 ZINC000133302733 344316881 /nfs/dbraw/zinc/31/68/81/344316881.db2.gz FELMBQAYNXJPKN-RYUDHWBXSA-N 2 0 214.353 1.328 20 0 BDADRP C[C@H]1C[C@H](NC[C@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000624100977 344538230 /nfs/dbraw/zinc/53/82/30/344538230.db2.gz AJSCCWPJWGCKSV-YNEHKIRRSA-N 2 0 225.380 1.153 20 0 BDADRP CCN1CCC[C@H]1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000309413393 347057524 /nfs/dbraw/zinc/05/75/24/347057524.db2.gz VVVSMGCRKVMKRW-STQMWFEESA-N 2 0 227.396 1.578 20 0 BDADRP C([NH2+][C@@H]1CCC[NH2+]CC1)[C@H]1CCCS1 ZINC000160693122 187359389 /nfs/dbraw/zinc/35/93/89/187359389.db2.gz DAJVAQUDHXIMGQ-GHMZBOCLSA-N 2 0 214.378 1.614 20 0 BDADRP Cc1ncc(CNCCC[NH2+]C2CC2)s1 ZINC000049538916 344651775 /nfs/dbraw/zinc/65/17/75/344651775.db2.gz BASNEBNNBZTMAW-UHFFFAOYSA-N 2 0 225.361 1.683 20 0 BDADRP Cc1csc(CNC[C@@H]([NH3+])CC(C)C)n1 ZINC000049539115 344652033 /nfs/dbraw/zinc/65/20/33/344652033.db2.gz NVCJTXMAKFPMID-JTQLQIEISA-N 2 0 227.377 1.915 20 0 BDADRP C[C@](O)(C[NH2+][C@H]1CCC[C@H]([NH3+])C1)C(F)(F)F ZINC000570942294 323076244 /nfs/dbraw/zinc/07/62/44/323076244.db2.gz PQIIRSKLPHGSGP-CIUDSAMLSA-N 2 0 240.269 1.159 20 0 BDADRP CC[NH+](CC)CCC[NH+]1CCC(CC[NH3+])CC1 ZINC000075176469 344767731 /nfs/dbraw/zinc/76/77/31/344767731.db2.gz NYLPRICNCVWBRZ-UHFFFAOYSA-N 3 0 241.423 1.779 20 0 BDADRP Cc1c[nH]c(CN2CCC[C@H]2C[NH+]2CCCC2)n1 ZINC000628156368 344848295 /nfs/dbraw/zinc/84/82/95/344848295.db2.gz MMUMIMMYWHWTHD-ZDUSSCGKSA-N 2 0 248.374 1.778 20 0 BDADRP C[N@H+](CCC1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC000574519631 344885902 /nfs/dbraw/zinc/88/59/02/344885902.db2.gz USFBLYVATUEGFI-UHFFFAOYSA-N 2 0 225.380 1.060 20 0 BDADRP CC[C@H](C(=O)N[C@H](C)C[NH+](CC)CC)[NH+](C)C ZINC000338970431 537872862 /nfs/dbraw/zinc/87/28/62/537872862.db2.gz SWNVKMDIXUOTFC-VXGBXAGGSA-N 2 0 243.395 1.173 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000583441416 344966958 /nfs/dbraw/zinc/96/69/58/344966958.db2.gz APSBHRFSQJJWBK-UONOGXRCSA-N 3 0 233.359 1.362 20 0 BDADRP Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)nc1 ZINC000156600569 345189594 /nfs/dbraw/zinc/18/95/94/345189594.db2.gz GQIIEKVDFWHMDD-CHWSQXEVSA-N 2 0 233.359 1.949 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCOCc1ccccc1 ZINC000390231658 259383291 /nfs/dbraw/zinc/38/32/91/259383291.db2.gz HPEZCYLLVQGAEB-CABCVRRESA-N 2 0 248.370 1.920 20 0 BDADRP [NH3+]Cc1ccc(NCC23CC(C2)C[NH2+]3)cc1 ZINC000634996037 345185760 /nfs/dbraw/zinc/18/57/60/345185760.db2.gz XKDYBMIALYVVRL-UHFFFAOYSA-N 2 0 217.316 1.309 20 0 BDADRP C[C@@H]1CC(C)(C)CN1CC12CC(C1)C[NH2+]2 ZINC000634996221 345187430 /nfs/dbraw/zinc/18/74/30/345187430.db2.gz DFRGQGHUZANXTH-XSRFYTQQSA-N 2 0 208.349 1.859 20 0 BDADRP C[C@H]1CC(C)(C)CN1CC12CC(C1)C[NH2+]2 ZINC000634996222 345187674 /nfs/dbraw/zinc/18/76/74/345187674.db2.gz DFRGQGHUZANXTH-ZBOXLXRLSA-N 2 0 208.349 1.859 20 0 BDADRP C[C@H]1C[N@H+](Cc2cnc3ccccn23)C[C@H]1C[NH3+] ZINC000634998668 345198250 /nfs/dbraw/zinc/19/82/50/345198250.db2.gz JFZBHEKDZQPQFS-NWDGAFQWSA-N 2 0 244.342 1.361 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccsc2)C[C@H]1C[NH3+] ZINC000634998238 345198290 /nfs/dbraw/zinc/19/82/90/345198290.db2.gz CJPCEGHBWORHMF-GXSJLCMTSA-N 2 0 210.346 1.775 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cccc3c2NCC3)C[C@H]1C[NH3+] ZINC000634999338 345199128 /nfs/dbraw/zinc/19/91/28/345199128.db2.gz SQCAAKQCKAKLPN-BXUZGUMPSA-N 2 0 245.370 1.681 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C2CCC(C[NH3+])CC2)[C@@H](C)O1 ZINC000635001665 345200634 /nfs/dbraw/zinc/20/06/34/345200634.db2.gz XUQYJLJDFZSVTG-LQVBTDEGSA-N 2 0 226.364 1.659 20 0 BDADRP CC(C)CCC[NH+]1CCC([NH2+]CCO)CC1 ZINC000635001457 345201381 /nfs/dbraw/zinc/20/13/81/345201381.db2.gz SQVMOGRXUGVGJO-UHFFFAOYSA-N 2 0 228.380 1.469 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1NCc1cccc2c1CC[NH2+]C2 ZINC000635003461 345206355 /nfs/dbraw/zinc/20/63/55/345206355.db2.gz JWDQIMVGSMQFTE-CABCVRRESA-N 2 0 245.370 1.302 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635003327 345206518 /nfs/dbraw/zinc/20/65/18/345206518.db2.gz CBNMNGQPVRGRQL-XUXIUFHCSA-N 3 0 239.407 1.482 20 0 BDADRP C[C@@H](Cc1cnccn1)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635003995 345207068 /nfs/dbraw/zinc/20/70/68/345207068.db2.gz GKDOACIXBGZFMO-AVGNSLFASA-N 2 0 248.374 1.515 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000635003695 345207154 /nfs/dbraw/zinc/20/71/54/345207154.db2.gz KJSNZCBWCIZNFW-MXWKQRLJSA-N 2 0 200.326 1.007 20 0 BDADRP [NH3+][C@H](CCN[C@H]1CCC[C@H]1[NH3+])Cc1ccccc1 ZINC000635004890 345208454 /nfs/dbraw/zinc/20/84/54/345208454.db2.gz GCZXRGHJNSRFTR-KFWWJZLASA-N 2 0 247.386 1.416 20 0 BDADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000635005131 345209035 /nfs/dbraw/zinc/20/90/35/345209035.db2.gz MQFXEZDLUYYVIN-XDQVBPFNSA-N 3 0 239.407 1.754 20 0 BDADRP Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])o1 ZINC000635009460 345212017 /nfs/dbraw/zinc/21/20/17/345212017.db2.gz NKDJYUKVMQSPGC-CYZMBNFOSA-N 2 0 238.331 1.430 20 0 BDADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000635008117 345215713 /nfs/dbraw/zinc/21/57/13/345215713.db2.gz ZODVFCOJFHUBRP-AAVRWANBSA-N 3 0 239.407 1.611 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CCC[NH2+]1 ZINC000635008057 345215847 /nfs/dbraw/zinc/21/58/47/345215847.db2.gz YPUBBINCOJAVOA-LPWJVIDDSA-N 2 0 225.380 1.234 20 0 BDADRP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CCN1C ZINC000635008170 345215904 /nfs/dbraw/zinc/21/59/04/345215904.db2.gz RLWNHFLSUAENOE-XDQVBPFNSA-N 3 0 239.407 1.576 20 0 BDADRP C[C@H](NCC[C@H]([NH3+])Cc1ccccc1)C1C[NH2+]C1 ZINC000635008646 345216942 /nfs/dbraw/zinc/21/69/42/345216942.db2.gz RZFAPLBEBBIFRR-WFASDCNBSA-N 2 0 247.386 1.144 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000449127915 201814730 /nfs/dbraw/zinc/81/47/30/201814730.db2.gz QSNYSIKNPSOIIW-GBIKHYSHSA-N 2 0 247.342 1.500 20 0 BDADRP C[C@H](C[NH2+]CC1(C)CCC1)N1CC[NH+](C)CC1 ZINC000434763135 537898662 /nfs/dbraw/zinc/89/86/62/537898662.db2.gz DCWTVNKBANWJKQ-CYBMUJFWSA-N 2 0 239.407 1.402 20 0 BDADRP C1=C(C[NH2+]CCC[NH+]2CCCC2)COCC1 ZINC000336685364 187307073 /nfs/dbraw/zinc/30/70/73/187307073.db2.gz UCFJYJXMPXTNFH-UHFFFAOYSA-N 2 0 224.348 1.409 20 0 BDADRP CC(C)([NH2+]CC1CC[NH2+]CC1)c1nccs1 ZINC000178982835 187308453 /nfs/dbraw/zinc/30/84/53/187308453.db2.gz IXWZMNUAPCPVOB-UHFFFAOYSA-N 2 0 239.388 1.967 20 0 BDADRP C[C@H](NC[C@H]1CCC[N@H+](C)C1)[C@H]1CCC[NH2+]1 ZINC000400727630 345644116 /nfs/dbraw/zinc/64/41/16/345644116.db2.gz PUUMMYRAYGFCPT-YNEHKIRRSA-N 2 0 225.380 1.058 20 0 BDADRP CN(CC[NH3+])Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000221326675 345746551 /nfs/dbraw/zinc/74/65/51/345746551.db2.gz WJJPSVIYQWOSFK-UHFFFAOYSA-N 2 0 248.305 1.606 20 0 in-vitro BDADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2ccccn2)C1 ZINC000221395119 345747133 /nfs/dbraw/zinc/74/71/33/345747133.db2.gz AFVMTHVFPDHLGW-NEPJUHHUSA-N 2 0 219.332 1.689 20 0 BDADRP CC[NH+](CC)CCC[N@H+](C)[C@@H](C)CO ZINC000230842451 345751986 /nfs/dbraw/zinc/75/19/86/345751986.db2.gz ISCPARBNSHSZDP-NSHDSACASA-N 2 0 202.342 1.031 20 0 BDADRP CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000662819871 537908718 /nfs/dbraw/zinc/90/87/18/537908718.db2.gz HQQJEYHJPJZLJJ-SRVKXCTJSA-N 2 0 243.395 1.240 20 0 BDADRP OC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000159980034 345768685 /nfs/dbraw/zinc/76/86/85/345768685.db2.gz KIQNOLREJAFVAF-RYUDHWBXSA-N 2 0 224.348 1.118 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000400761734 345783133 /nfs/dbraw/zinc/78/31/33/345783133.db2.gz YIBBXKNTLTTXIN-JSGCOSHPSA-N 3 0 239.407 1.448 20 0 BDADRP COCC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC000069631762 345786602 /nfs/dbraw/zinc/78/66/02/345786602.db2.gz JPBYTWZNZNXZMY-UHFFFAOYSA-N 2 0 212.337 1.097 20 0 BDADRP CC[C@@H]1C[C@H]1C[NH2+][C@H](CCC[NH3+])COC ZINC000387791705 347088296 /nfs/dbraw/zinc/08/82/96/347088296.db2.gz GHJDAPWIQPITIU-GRYCIOLGSA-N 2 0 214.353 1.376 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC1C[NH2+]C1 ZINC000307654537 345878120 /nfs/dbraw/zinc/87/81/20/345878120.db2.gz MRZMLAYKNHIFNP-DOMZBBRYSA-N 2 0 245.370 1.068 20 0 BDADRP CC(C)(CCO)C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000331879338 187365476 /nfs/dbraw/zinc/36/54/76/187365476.db2.gz CBEYHOYZOIQPGJ-RYUDHWBXSA-N 2 0 228.380 1.645 20 0 BDADRP CS[C@H](C)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401115611 346211995 /nfs/dbraw/zinc/21/19/95/346211995.db2.gz HYVXSCJSZUKNHX-WISYIIOYSA-N 2 0 228.405 1.716 20 0 BDADRP [NH3+]CCOCC[N@H+](Cc1ccccc1)C1CC1 ZINC000307383133 187318225 /nfs/dbraw/zinc/31/82/25/187318225.db2.gz IIBAMLPHYXWJJY-UHFFFAOYSA-N 2 0 234.343 1.626 20 0 BDADRP C[NH+](C)CCC[N@H+](C)Cc1cccc2n[nH]cc21 ZINC000628277225 346285693 /nfs/dbraw/zinc/28/56/93/346285693.db2.gz IYRUEUYENBTDRC-UHFFFAOYSA-N 2 0 246.358 1.946 20 0 BDADRP CC[C@@H](CSC)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000217329940 346299111 /nfs/dbraw/zinc/29/91/11/346299111.db2.gz AJFOZZQEOBQULH-RYUDHWBXSA-N 2 0 246.420 1.174 20 0 BDADRP CC[C@H](CSC)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000217329938 346299147 /nfs/dbraw/zinc/29/91/47/346299147.db2.gz AJFOZZQEOBQULH-VXGBXAGGSA-N 2 0 246.420 1.174 20 0 BDADRP COC(=O)CC1(C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000603431864 349953164 /nfs/dbraw/zinc/95/31/64/349953164.db2.gz HMPKJPKCIVQCEU-VHSXEESVSA-N 2 0 240.347 1.045 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000300369354 346433043 /nfs/dbraw/zinc/43/30/43/346433043.db2.gz XQEWHBHTGFVYIV-QWHCGFSZSA-N 2 0 227.396 1.576 20 0 BDADRP c1n[nH]cc1CC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000641798612 362744907 /nfs/dbraw/zinc/74/49/07/362744907.db2.gz KDLRWAOWVALNJX-UHFFFAOYSA-N 2 0 234.347 1.028 20 0 BDADRP CCCN1CC[C@@H]([NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000392771208 349962301 /nfs/dbraw/zinc/96/23/01/349962301.db2.gz WOFKOECZIPTQCD-GFCCVEGCSA-N 2 0 235.331 1.361 20 0 BDADRP Cc1nccn1CCC[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641803942 362761543 /nfs/dbraw/zinc/76/15/43/362761543.db2.gz WEZJPDOKIJIBME-RYUDHWBXSA-N 2 0 236.363 1.297 20 0 BDADRP C[C@@H]1CC[C@H](C[NH3+])N(CCOCC2CC2)[C@H]1C ZINC000641808331 362762794 /nfs/dbraw/zinc/76/27/94/362762794.db2.gz MWBKRLTYFDWYHG-MBNYWOFBSA-N 2 0 240.391 1.861 20 0 BDADRP Cc1cc(C)n(CC[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)n1 ZINC000641800804 362753316 /nfs/dbraw/zinc/75/33/16/362753316.db2.gz GFPMJTOBFQAHOM-RYUDHWBXSA-N 2 0 236.363 1.215 20 0 BDADRP C[C@@H]1CCC(C)(C)[N@@H+]1CCOCC[NH3+] ZINC000641800951 362753939 /nfs/dbraw/zinc/75/39/39/362753939.db2.gz JSRXVSKVMLTLPP-SNVBAGLBSA-N 2 0 200.326 1.225 20 0 BDADRP CC1(C)[C@H]([NH2+]CCC2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC000641801698 362756831 /nfs/dbraw/zinc/75/68/31/362756831.db2.gz DZAJOFAGLMLART-NWDGAFQWSA-N 3 0 225.380 1.092 20 0 BDADRP C[NH2+]CCC[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000069909111 349968078 /nfs/dbraw/zinc/96/80/78/349968078.db2.gz RNOIVQBLAYNOKN-AOOOYVTPSA-N 2 0 202.367 1.422 20 0 BDADRP CCO[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)C1CC1 ZINC000641801979 362757863 /nfs/dbraw/zinc/75/78/63/362757863.db2.gz XFNALPJJFXSNPC-GRYCIOLGSA-N 2 0 226.364 1.517 20 0 BDADRP C[C@@H]1CCC(C)(C)[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000641802121 362758196 /nfs/dbraw/zinc/75/81/96/362758196.db2.gz XVRWGXVGLIGLOX-NEPJUHHUSA-N 2 0 238.375 1.770 20 0 BDADRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](C)COC)C1 ZINC000187373832 346571989 /nfs/dbraw/zinc/57/19/89/346571989.db2.gz TWPHLSBZCGCAJW-ZIAGYGMSSA-N 2 0 242.407 1.933 20 0 BDADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CCSC2)C1 ZINC000624119509 346650917 /nfs/dbraw/zinc/65/09/17/346650917.db2.gz DGBPMEPGIJMCHB-VXGBXAGGSA-N 2 0 228.405 1.813 20 0 BDADRP CN(C)c1ccccc1C[NH2+][C@@H]1CCCN(C)C1 ZINC000589643251 346720066 /nfs/dbraw/zinc/72/00/66/346720066.db2.gz NNEJAKPMLZWVHS-CQSZACIVSA-N 2 0 247.386 1.936 20 0 BDADRP CCO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000624142675 347124329 /nfs/dbraw/zinc/12/43/29/347124329.db2.gz CHOPUWAPESIKKW-YUTCNCBUSA-N 2 0 240.391 1.874 20 0 BDADRP COC[C@H](C)C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000188156255 346792263 /nfs/dbraw/zinc/79/22/63/346792263.db2.gz YEFPJTGQKDATGX-IYXRBSQSSA-N 2 0 242.407 1.979 20 0 BDADRP [NH3+][C@]12CCC[C@@H]1C[N@H+](C[C@@H]1CCSC1)C2 ZINC000622004897 370655369 /nfs/dbraw/zinc/65/53/69/370655369.db2.gz WEEJOJWXRHUDEU-TUAOUCFPSA-N 2 0 226.389 1.553 20 0 BDADRP O=C(Nc1ccc2nccn2c1)[C@]12C[C@H]1CC[NH2+]2 ZINC000582065429 347160077 /nfs/dbraw/zinc/16/00/77/347160077.db2.gz MSKRDMJNSGPTTK-RNCFNFMXSA-N 2 0 242.282 1.025 20 0 BDADRP CCSCCN1CCCCC[C@@H]([NH3+])C1 ZINC000601323492 347203672 /nfs/dbraw/zinc/20/36/72/347203672.db2.gz BAFPFIVDANXAFG-LLVKDONJSA-N 2 0 216.394 1.943 20 0 BDADRP CCN1CCCC[C@H]1C[NH2+]C1CC(OC)C1 ZINC000309973708 347208062 /nfs/dbraw/zinc/20/80/62/347208062.db2.gz RECUWOQSWKZNQL-CPCZMJQVSA-N 2 0 226.364 1.628 20 0 BDADRP CC[NH+]1CCC(N[C@H](C)C[N@H+](C)C(C)C)CC1 ZINC000310073755 347226431 /nfs/dbraw/zinc/22/64/31/347226431.db2.gz AIWUQYHLNQOLQS-CYBMUJFWSA-N 2 0 241.423 1.789 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC2(CO)CC2)CC[N@@H+]1C ZINC000395835961 362800060 /nfs/dbraw/zinc/80/00/60/362800060.db2.gz KJXBXTWGJTWWGZ-VXGBXAGGSA-N 2 0 226.364 1.221 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)[C@@H](OC)C1CC1 ZINC000388304944 347303841 /nfs/dbraw/zinc/30/38/41/347303841.db2.gz PFFCBXWRFYVYME-KGYLQXTDSA-N 2 0 244.379 1.143 20 0 BDADRP CN1CC[N@H+](CC[C@H]2CCC[NH2+]C2)CC1(C)C ZINC000250792546 362820855 /nfs/dbraw/zinc/82/08/55/362820855.db2.gz JZGBPOKQOGADIB-CYBMUJFWSA-N 2 0 239.407 1.402 20 0 BDADRP CN(C[C@@H]1CCC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000582122685 347396270 /nfs/dbraw/zinc/39/62/70/347396270.db2.gz VTQSQJJITKHCRZ-HABKJSAYSA-N 2 0 237.391 1.201 20 0 BDADRP CCC[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)OC ZINC000382837308 347444792 /nfs/dbraw/zinc/44/47/92/347444792.db2.gz PYUYXZDUCSAYOS-UPJWGTAASA-N 2 0 228.380 1.731 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](C[C@@H]2CC[C@@H](C)O2)CC1 ZINC000149760339 347514118 /nfs/dbraw/zinc/51/41/18/347514118.db2.gz WKORBHPLNDWUGU-WZRBSPASSA-N 2 0 226.364 1.613 20 0 BDADRP CC(C)[N@H+](C)CC1CC[NH+](CCCO)CC1 ZINC000590818858 347569318 /nfs/dbraw/zinc/56/93/18/347569318.db2.gz AZJFSUKRIRCSHE-UHFFFAOYSA-N 2 0 228.380 1.421 20 0 BDADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H](C)[NH3+])C[C@@H]1C ZINC000591581327 347678072 /nfs/dbraw/zinc/67/80/72/347678072.db2.gz QCJIRTBDXGLWCS-WHOHXGKFSA-N 2 0 242.363 1.291 20 0 BDADRP CC[C@@H]([NH2+]C[C@@H](C)[NH3+])C1(C(=O)OC)CCC1 ZINC000591581383 347678609 /nfs/dbraw/zinc/67/86/09/347678609.db2.gz SZDJRNLPUGLBCE-NXEZZACHSA-N 2 0 228.336 1.045 20 0 BDADRP Cc1ccccc1C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313385182 179274478 /nfs/dbraw/zinc/27/44/78/179274478.db2.gz KISOJXTZYHJNFR-AWEZNQCLSA-N 2 0 234.343 1.545 20 0 BDADRP CCOC[C@H](C)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414960291 323152275 /nfs/dbraw/zinc/15/22/75/323152275.db2.gz YBZNRRDXUDVMHN-VWYCJHECSA-N 2 0 200.326 1.142 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCCCCF ZINC000308458243 347669637 /nfs/dbraw/zinc/66/96/37/347669637.db2.gz FMBDFVUGSULKIB-MNOVXSKESA-N 2 0 202.317 1.938 20 0 BDADRP O=C(/C=C/c1ncc[nH]1)NCC[NH+]1CCCCC1 ZINC000493352797 347740027 /nfs/dbraw/zinc/74/00/27/347740027.db2.gz NNNSWXGZSBYRDR-SNAWJCMRSA-N 2 0 248.330 1.025 20 0 BDADRP CO[C@H](C)CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000308540002 347822486 /nfs/dbraw/zinc/82/24/86/347822486.db2.gz IHYVBPSDJFAPAW-GMTAPVOTSA-N 2 0 200.326 1.271 20 0 BDADRP COC(=O)CC[N@H+](CC(C)C)C[C@@H]1CC[NH2+]C1 ZINC000592493571 347787624 /nfs/dbraw/zinc/78/76/24/347787624.db2.gz VPRBKIGAPCCIIG-GFCCVEGCSA-N 2 0 242.363 1.117 20 0 BDADRP COC(C)(C)C[N@H+](C)CCn1ccnc1 ZINC000535035057 323164092 /nfs/dbraw/zinc/16/40/92/323164092.db2.gz WTAPYVYHTPJTCO-UHFFFAOYSA-N 2 0 211.309 1.240 20 0 BDADRP CC(C)C[C@H](CNC(=O)CCCC[NH3+])[NH+](C)C ZINC000070203256 349976881 /nfs/dbraw/zinc/97/68/81/349976881.db2.gz CNWFAURBUIWLSO-GFCCVEGCSA-N 2 0 243.395 1.208 20 0 BDADRP CCOC(=O)CC[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593729009 347937672 /nfs/dbraw/zinc/93/76/72/347937672.db2.gz CPUFELPVRBFDRZ-AAEUAGOBSA-N 2 0 240.347 1.000 20 0 BDADRP CCSCC[NH+]1CCC(C)([NH3+])CC1 ZINC000308605909 347909466 /nfs/dbraw/zinc/90/94/66/347909466.db2.gz BTIOBLZGDXQWBW-UHFFFAOYSA-N 2 0 202.367 1.553 20 0 BDADRP C[N@H+](CC1CC[NH2+]CC1)[C@@H]1CCSC1 ZINC000037175251 348031126 /nfs/dbraw/zinc/03/11/26/348031126.db2.gz LNABJIUWTKAKHI-LLVKDONJSA-N 2 0 214.378 1.423 20 0 BDADRP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])C(C)C ZINC000295191607 179342833 /nfs/dbraw/zinc/34/28/33/179342833.db2.gz OCTBCRNCQBLBDH-OLZOCXBDSA-N 2 0 249.358 1.094 20 0 BDADRP CSCC[NH2+]Cc1cnc2n1CCC2 ZINC000594915648 348152427 /nfs/dbraw/zinc/15/24/27/348152427.db2.gz ASKORUSVDBXBEO-UHFFFAOYSA-N 2 0 211.334 1.282 20 0 BDADRP C[C@H](CSCCF)[NH2+]C[C@H](C)C[NH+](C)C ZINC000595037768 348176092 /nfs/dbraw/zinc/17/60/92/348176092.db2.gz IAGLLJGKQGYGDH-WDEREUQCSA-N 2 0 236.400 1.865 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCOCC1CCC1 ZINC000563804492 323178272 /nfs/dbraw/zinc/17/82/72/323178272.db2.gz POOKHLCXPHPGGE-NEPJUHHUSA-N 2 0 212.337 1.273 20 0 BDADRP C/C=C/C[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623494909 362918755 /nfs/dbraw/zinc/91/87/55/362918755.db2.gz IUXLYTKBJLYMKI-FBVTZJDUSA-N 2 0 240.391 1.776 20 0 BDADRP CC(C)[NH+]1CCC(NC(=O)CC[C@@H](C)[NH3+])CC1 ZINC000070315856 349993597 /nfs/dbraw/zinc/99/35/97/349993597.db2.gz IMKFYWGOHIQLAI-LLVKDONJSA-N 2 0 241.379 1.103 20 0 BDADRP Cc1ccncc1C[NH2+]C1CCC([NH3+])CC1 ZINC000135458708 179486890 /nfs/dbraw/zinc/48/68/90/179486890.db2.gz BRQMLZLPKRIVHW-UHFFFAOYSA-N 2 0 219.332 1.750 20 0 BDADRP CSCC[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000535758152 323190556 /nfs/dbraw/zinc/19/05/56/323190556.db2.gz ZCNGADDNYZZACN-JTQLQIEISA-N 2 0 225.361 1.572 20 0 BDADRP OC[C@H](CC(F)F)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000429452845 192147006 /nfs/dbraw/zinc/14/70/06/192147006.db2.gz QTQAVYJNYOXJHV-DCAQKATOSA-N 2 0 248.317 1.219 20 0 BDADRP CCSC1(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000596649595 348605286 /nfs/dbraw/zinc/60/52/86/348605286.db2.gz CSNKWRCTHOUDDS-MNOVXSKESA-N 2 0 228.405 1.989 20 0 BDADRP CCSC1(C[NH2+][C@@H](C)C2C[NH2+]C2)CC1 ZINC000596651350 348606107 /nfs/dbraw/zinc/60/61/07/348606107.db2.gz NFELBIUKJLXCSM-VIFPVBQESA-N 2 0 214.378 1.470 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+]CCCC[NH+](C)C)C1 ZINC000069847889 490188401 /nfs/dbraw/zinc/18/84/01/490188401.db2.gz DHERUSPPARWKRP-OLZOCXBDSA-N 2 0 228.380 1.875 20 0 BDADRP C[C@@H](CCCCO)[NH2+]CCCC[NH+](C)C ZINC000389969596 538009674 /nfs/dbraw/zinc/00/96/74/538009674.db2.gz ZFSZMSVPXAASPP-LBPRGKRZSA-N 2 0 216.369 1.469 20 0 BDADRP CC1CCC([NH+]2CCN(CC[NH3+])CC2)CC1 ZINC000082848507 348841461 /nfs/dbraw/zinc/84/14/61/348841461.db2.gz KELUREXYSBWXBG-UHFFFAOYSA-N 2 0 225.380 1.141 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCOC2)[C@@H](C)C1 ZINC000246840794 349107775 /nfs/dbraw/zinc/10/77/75/349107775.db2.gz CDYZPULUGKVAIJ-IHRRRGAJSA-N 2 0 240.391 1.733 20 0 BDADRP C[N@@H+]1CCC[C@H](CN[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000250603091 349177258 /nfs/dbraw/zinc/17/72/58/349177258.db2.gz KOYWEZJWOHNORG-UPJWGTAASA-N 3 0 225.380 1.045 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000250822135 349180293 /nfs/dbraw/zinc/18/02/93/349180293.db2.gz GNLYEMQICJFHKK-RFGFWPKPSA-N 2 0 237.391 1.473 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CCC2(O)CCC2)CC1(C)C ZINC000623517603 362941831 /nfs/dbraw/zinc/94/18/31/362941831.db2.gz LGKIWJHSMILKKH-LBPRGKRZSA-N 2 0 240.391 1.754 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000251330717 349186226 /nfs/dbraw/zinc/18/62/26/349186226.db2.gz PCVWNKIKOQTXKV-WRWGMCAJSA-N 2 0 212.337 1.149 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCCOC1)[C@@H]1CCCC[NH2+]1 ZINC000530211538 323211420 /nfs/dbraw/zinc/21/14/20/323211420.db2.gz METULNBIFRYAIH-MJBXVCDLSA-N 2 0 240.391 1.923 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCOC2)C1 ZINC000250515992 349175080 /nfs/dbraw/zinc/17/50/80/349175080.db2.gz QPSATRDGNGMACF-RYUDHWBXSA-N 2 0 212.337 1.095 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C[C@H]2CCCOC2)C1 ZINC000250518179 349175207 /nfs/dbraw/zinc/17/52/07/349175207.db2.gz RMVQYHBINMRXKQ-ZIAGYGMSSA-N 2 0 240.391 1.733 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@H]2CCCCO2)CC[C@@H]1[NH3+] ZINC000251849883 362943198 /nfs/dbraw/zinc/94/31/98/362943198.db2.gz RQJPNEJGEHXPIN-UPJWGTAASA-N 2 0 226.364 1.615 20 0 BDADRP COC[C@@H](C)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000253109593 349223729 /nfs/dbraw/zinc/22/37/29/349223729.db2.gz FRLNIBUBYHMKKR-ACJTYDJDSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@@H](CO)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123450489 490237565 /nfs/dbraw/zinc/23/75/65/490237565.db2.gz XMMQKDBDZVYFHE-CYBMUJFWSA-N 2 0 242.407 1.669 20 0 BDADRP CC[C@H](CCO)[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386536970 349250445 /nfs/dbraw/zinc/25/04/45/349250445.db2.gz CCKSKDULOSXXIC-IJLUTSLNSA-N 2 0 214.353 1.268 20 0 BDADRP CC(C)[C@@H](CO)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623524715 362945879 /nfs/dbraw/zinc/94/58/79/362945879.db2.gz GHLHKUMZUUDDLJ-OLZOCXBDSA-N 2 0 242.407 1.713 20 0 BDADRP CCCCOCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000383942096 350041562 /nfs/dbraw/zinc/04/15/62/350041562.db2.gz FCWVOOCRCHVMQG-OKILXGFUSA-N 2 0 240.391 1.735 20 0 BDADRP CN1CCC[C@H]1C(=O)Nc1ccc2nccn2c1 ZINC000603884231 350047841 /nfs/dbraw/zinc/04/78/41/350047841.db2.gz CCRKYHBHGORQQN-NSHDSACASA-N 2 0 244.298 1.367 20 0 BDADRP CCN(CC)C[C@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422708361 192437162 /nfs/dbraw/zinc/43/71/62/192437162.db2.gz BUKZIBQJNZYMSX-HSBZDZAISA-N 2 0 241.423 1.824 20 0 BDADRP COC[C@H](C)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422709929 192437291 /nfs/dbraw/zinc/43/72/91/192437291.db2.gz ZXCQGYCIKGBAHP-VOMCLLRMSA-N 2 0 214.353 1.376 20 0 BDADRP CC[NH+](CC)CCN[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000132053012 191024211 /nfs/dbraw/zinc/02/42/11/191024211.db2.gz XIETVBQAYCZECT-QWHCGFSZSA-N 2 0 227.396 1.258 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000133388289 191039847 /nfs/dbraw/zinc/03/98/47/191039847.db2.gz VYMZKDPGZQTBDJ-SRVKXCTJSA-N 2 0 214.353 1.077 20 0 BDADRP CC1(C)C[N@H+](CC[C@H]2CC[NH2+]C2)CCS1 ZINC000133331968 191042651 /nfs/dbraw/zinc/04/26/51/191042651.db2.gz IWHOZZLSJPWNPT-LLVKDONJSA-N 2 0 228.405 1.813 20 0 BDADRP CC(C)C[C@@H](C[NH+](C)C)NC1CC[NH+](C)CC1 ZINC000037166728 191069072 /nfs/dbraw/zinc/06/90/72/191069072.db2.gz FFUAAHZCMHJPRY-AWEZNQCLSA-N 2 0 241.423 1.647 20 0 BDADRP C[C@H]1C[N@H+](CCc2ccccc2)CC[C@H]1[NH3+] ZINC000006780183 350212013 /nfs/dbraw/zinc/21/20/13/350212013.db2.gz LRHHXVNCKIHDJJ-GXTWGEPZSA-N 2 0 218.344 1.898 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000449623393 201988182 /nfs/dbraw/zinc/98/81/82/201988182.db2.gz JAJOHIASQDVPKJ-ZWNOBZJWSA-N 2 0 247.342 1.200 20 0 BDADRP C[C@H](C[NH2+]C1CCSCC1)N(C)C ZINC000038087716 350304065 /nfs/dbraw/zinc/30/40/65/350304065.db2.gz HGXPWUYZITWJBK-SECBINFHSA-N 2 0 202.367 1.422 20 0 BDADRP CC[NH2+]CCNC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000422781737 192465272 /nfs/dbraw/zinc/46/52/72/192465272.db2.gz IZPFVDUTUMGWBV-LBPRGKRZSA-N 2 0 241.379 1.010 20 0 BDADRP c1c([C@@H]2CCCC[NH2+]2)nnn1[C@@H]1CCC[NH2+]C1 ZINC000725263149 538088934 /nfs/dbraw/zinc/08/89/34/538088934.db2.gz RBCCAPUWGXREER-MNOVXSKESA-N 2 0 235.335 1.017 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H]2CCSC2)C1 ZINC000224622776 350330369 /nfs/dbraw/zinc/33/03/69/350330369.db2.gz GCSPEAWARRXHAX-GARJFASQSA-N 2 0 214.378 1.409 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](C[C@H]2CCCC[C@@H]2O)C1 ZINC000328174742 350374762 /nfs/dbraw/zinc/37/47/62/350374762.db2.gz KYHARASYVSUEKO-XQQFMLRXSA-N 2 0 226.364 1.208 20 0 BDADRP C[C@@H](CC1CC1)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000069665517 350377106 /nfs/dbraw/zinc/37/71/06/350377106.db2.gz HRRXNKDAHHATNY-AAEUAGOBSA-N 2 0 226.364 1.221 20 0 BDADRP Cc1nn(C)c(C)c1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000126926869 180338652 /nfs/dbraw/zinc/33/86/52/180338652.db2.gz KCICMBJTOVTUGS-BXKDBHETSA-N 2 0 236.363 1.206 20 0 BDADRP Cc1nn(C)cc1C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000128257553 180372541 /nfs/dbraw/zinc/37/25/41/180372541.db2.gz KPHSYHIKTSWLNB-CYBMUJFWSA-N 2 0 236.363 1.432 20 0 BDADRP CC[C@@H](C)C[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000093074676 259414693 /nfs/dbraw/zinc/41/46/93/259414693.db2.gz UYRBTOFOCIMJJT-CHWSQXEVSA-N 2 0 227.396 1.258 20 0 BDADRP CO[C@@H]([C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000388280016 362962399 /nfs/dbraw/zinc/96/23/99/362962399.db2.gz LQZGPQZSFZXNBV-SQNXGDPESA-N 2 0 226.364 1.659 20 0 BDADRP COCCN1CCC[C@@H]1C[NH2+][C@H](C)C1(C)CC1 ZINC000163419670 350521122 /nfs/dbraw/zinc/52/11/22/350521122.db2.gz CBJZNMHINYDZME-CHWSQXEVSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCSC1)C1CC[NH+](C)CC1 ZINC000222147236 490606654 /nfs/dbraw/zinc/60/66/54/490606654.db2.gz ABQSNKXMXAYKKJ-PWSUYJOCSA-N 2 0 228.405 1.812 20 0 BDADRP CC[C@@H](COC)[NH2+]C[C@@H]1CCCN1CC ZINC000070623697 350551387 /nfs/dbraw/zinc/55/13/87/350551387.db2.gz LVESEPJSFQSHJS-RYUDHWBXSA-N 2 0 214.353 1.485 20 0 BDADRP CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000577528235 365977491 /nfs/dbraw/zinc/97/74/91/365977491.db2.gz GSBUQFFCUPZMLK-NDBYEHHHSA-N 2 0 226.364 1.804 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)CC1(C)C ZINC000623559984 362983547 /nfs/dbraw/zinc/98/35/47/362983547.db2.gz RDPVXFXCGZWQPA-LOWDOPEQSA-N 2 0 238.375 1.769 20 0 BDADRP CN(CCC[NH2+]Cc1ccccc1)CC[NH+](C)C ZINC000623088597 350848701 /nfs/dbraw/zinc/84/87/01/350848701.db2.gz UZBHPOKZLTXALL-UHFFFAOYSA-N 2 0 249.402 1.660 20 0 BDADRP C[C@H](NCC1([NH3+])CCCCCC1)C1C[NH2+]C1 ZINC000577600534 366012307 /nfs/dbraw/zinc/01/23/07/366012307.db2.gz FLFRCJSWOPEGLZ-NSHDSACASA-N 2 0 225.380 1.236 20 0 BDADRP CC[C@@H]1CCC[N@@H+]1C[C@@H](O)CN(C)C1CC1 ZINC000336665658 350861784 /nfs/dbraw/zinc/86/17/84/350861784.db2.gz PQDWOJZWULQLPK-YPMHNXCESA-N 2 0 226.364 1.316 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+]CCOCCF)CC1(C)C ZINC000623575404 363004924 /nfs/dbraw/zinc/00/49/24/363004924.db2.gz ZCWUSZLGMVYRDC-LLVKDONJSA-N 2 0 232.343 1.435 20 0 BDADRP [NH3+]CCN1CC[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000616635746 351121167 /nfs/dbraw/zinc/12/11/67/351121167.db2.gz LGTOWNYKTKHCDD-LBPRGKRZSA-N 2 0 239.750 1.245 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)[C@@H]1CCCOC1 ZINC000388813254 363021609 /nfs/dbraw/zinc/02/16/09/363021609.db2.gz DFGWEFXZRNMJPT-WCQYABFASA-N 2 0 226.364 1.391 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccccc1CO ZINC000572027041 323526513 /nfs/dbraw/zinc/52/65/13/323526513.db2.gz VVIIXPQBWDBJKF-QWRGUYRKSA-N 2 0 222.332 1.394 20 0 BDADRP CCCC[C@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000336730021 351583218 /nfs/dbraw/zinc/58/32/18/351583218.db2.gz IALIDHZTUMNYBZ-LBPRGKRZSA-N 2 0 228.380 1.611 20 0 BDADRP CC[C@H](C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+])[NH+](C)C ZINC000637807781 351643931 /nfs/dbraw/zinc/64/39/31/351643931.db2.gz NWQRFSJYOCUBCV-IJLUTSLNSA-N 2 0 241.379 1.055 20 0 BDADRP CC[C@H](C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+])[NH+](C)C ZINC000637807784 351644717 /nfs/dbraw/zinc/64/47/17/351644717.db2.gz NWQRFSJYOCUBCV-UTUOFQBUSA-N 2 0 241.379 1.055 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCCc1nccs1 ZINC000391121262 259420013 /nfs/dbraw/zinc/42/00/13/259420013.db2.gz BJCOWZQQWNUUOV-WDEREUQCSA-N 2 0 239.388 1.793 20 0 BDADRP CC[NH2+][C@@H](C)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000637843366 351702195 /nfs/dbraw/zinc/70/21/95/351702195.db2.gz DUETYQRIFVIGEH-JQWIXIFHSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)[C@H](C)CN1 ZINC000414769025 351716330 /nfs/dbraw/zinc/71/63/30/351716330.db2.gz VYZLEZRANQZNAA-FDYHWXHSSA-N 2 0 225.380 1.057 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H](C)[NH+](C)C)cc1 ZINC000637856401 351713873 /nfs/dbraw/zinc/71/38/73/351713873.db2.gz AQOMKTJUJYDFPE-NXEZZACHSA-N 2 0 235.331 1.595 20 0 BDADRP CO[C@](C)(C[NH+]1CCC([NH+](C)C)CC1)C1CC1 ZINC000637927391 351802901 /nfs/dbraw/zinc/80/29/01/351802901.db2.gz OVNWWEGSGIGJLV-CQSZACIVSA-N 2 0 240.391 1.828 20 0 BDADRP C[C@@H]([NH2+]Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC000414854630 351905292 /nfs/dbraw/zinc/90/52/92/351905292.db2.gz MBOMPZHBURXUPU-DGCLKSJQSA-N 2 0 219.332 1.559 20 0 BDADRP CC(C)C[C@H](CN)[NH2+]C[C@@H]1CCCOC1 ZINC000414854741 351906264 /nfs/dbraw/zinc/90/62/64/351906264.db2.gz VIXIJBABMHZXFU-NWDGAFQWSA-N 2 0 214.353 1.376 20 0 BDADRP CC[NH2+][C@H](C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000638127340 351997977 /nfs/dbraw/zinc/99/79/77/351997977.db2.gz VBCQMNKRJMTJFR-MNOVXSKESA-N 2 0 243.395 1.077 20 0 BDADRP CC[NH2+][C@@H](C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000638127341 351998198 /nfs/dbraw/zinc/99/81/98/351998198.db2.gz VBCQMNKRJMTJFR-QWRGUYRKSA-N 2 0 243.395 1.077 20 0 BDADRP CC(C)CC[C@@H]([NH3+])C(=O)N1CCC(C)([NH3+])CC1 ZINC000638196212 352060013 /nfs/dbraw/zinc/06/00/13/352060013.db2.gz QRUVSXWNUIOXMR-LLVKDONJSA-N 2 0 241.379 1.090 20 0 BDADRP CC(C)CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000638270612 352108493 /nfs/dbraw/zinc/10/84/93/352108493.db2.gz JMGNMFFQVFZPME-GHMZBOCLSA-N 2 0 241.379 1.007 20 0 BDADRP O[C@H](C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)C[NH+]1CCCC1 ZINC000638413170 352221380 /nfs/dbraw/zinc/22/13/80/352221380.db2.gz WZSROYVYGNULNG-XJFOESAGSA-N 2 0 238.375 1.079 20 0 BDADRP C[C@H]([NH2+]CCCC[NH+](C)C)[C@@H]1CC1(F)F ZINC000638450548 352261519 /nfs/dbraw/zinc/26/15/19/352261519.db2.gz GJXRPXMQSNBALL-UWVGGRQHSA-N 2 0 220.307 1.962 20 0 BDADRP C[C@H](Cc1cnccn1)[NH2+]CCCC[NH+](C)C ZINC000638451821 352262052 /nfs/dbraw/zinc/26/20/52/352262052.db2.gz RMWJVLHTHUNZFW-GFCCVEGCSA-N 2 0 236.363 1.339 20 0 BDADRP Cc1c[nH]nc1CNC[C@@]1(C)CCC[NH2+]C1 ZINC000414915676 352266548 /nfs/dbraw/zinc/26/65/48/352266548.db2.gz ONBSHYISPCEHBM-LBPRGKRZSA-N 2 0 222.336 1.197 20 0 BDADRP CC[NH+]1CCC(C[NH2+]Cc2ncc(C)o2)CC1 ZINC000638565112 352390681 /nfs/dbraw/zinc/39/06/81/352390681.db2.gz LBGPINFZGPOZGA-UHFFFAOYSA-N 2 0 237.347 1.805 20 0 BDADRP Cc1ccc(O)c(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000415003823 352478672 /nfs/dbraw/zinc/47/86/72/352478672.db2.gz XPBBMBMEHXREOJ-NEPJUHHUSA-N 2 0 249.358 1.703 20 0 BDADRP Cc1ccc(O)c(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000415003826 352479334 /nfs/dbraw/zinc/47/93/34/352479334.db2.gz XPBBMBMEHXREOJ-VXGBXAGGSA-N 2 0 249.358 1.703 20 0 BDADRP CCC(CC)(C[NH3+])C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000638640404 352483986 /nfs/dbraw/zinc/48/39/86/352483986.db2.gz BAZJMQOMYJTYIS-WDEREUQCSA-N 2 0 241.379 1.008 20 0 BDADRP CCC(CC)(C[NH3+])C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000638640402 352484205 /nfs/dbraw/zinc/48/42/05/352484205.db2.gz BAZJMQOMYJTYIS-MNOVXSKESA-N 2 0 241.379 1.008 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000638642236 352485600 /nfs/dbraw/zinc/48/56/00/352485600.db2.gz VYZWXFQHYXYENY-SRVKXCTJSA-N 2 0 241.379 1.007 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccccn2)C1 ZINC000086402094 538104183 /nfs/dbraw/zinc/10/41/83/538104183.db2.gz DNUOGMBJNUKMBB-QWRGUYRKSA-N 2 0 205.305 1.441 20 0 BDADRP CC(C)(O)C[NH+]1CCC([NH2+]CCC2CC2)CC1 ZINC000638714634 352557334 /nfs/dbraw/zinc/55/73/34/352557334.db2.gz IRAZSNHIEJXXFX-UHFFFAOYSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@H]1C[C@H](N2CC([NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000307556033 352648239 /nfs/dbraw/zinc/64/82/39/352648239.db2.gz YQIAMNNJLARDCH-WFASDCNBSA-N 2 0 245.370 1.292 20 0 BDADRP CC(C)[N@H+](C)CC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638820461 353000481 /nfs/dbraw/zinc/00/04/81/353000481.db2.gz WNYWFPIUYJHBSC-LBPRGKRZSA-N 2 0 241.379 1.057 20 0 BDADRP CC(C)[NH2+]CCC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638823028 353004519 /nfs/dbraw/zinc/00/45/19/353004519.db2.gz OKXIVUCFHBLBJX-LBPRGKRZSA-N 2 0 241.379 1.104 20 0 BDADRP CC[C@H](C)[C@H](C[NH2+]CCN1CC[C@@H](C)C1)OC ZINC000638870656 353042730 /nfs/dbraw/zinc/04/27/30/353042730.db2.gz FCPGSHGABVUKES-RDBSUJKOSA-N 2 0 242.407 1.979 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCOC[C@H]1C ZINC000300900128 188001520 /nfs/dbraw/zinc/00/15/20/188001520.db2.gz VZKYISKZYHTMRK-OLZOCXBDSA-N 2 0 228.380 1.731 20 0 BDADRP C(CC[NH2+][C@H]1CCOC1)CC[NH+]1CCCC1 ZINC000339499346 188002590 /nfs/dbraw/zinc/00/25/90/188002590.db2.gz FMSRMHDTQYLVBW-ZDUSSCGKSA-N 2 0 226.364 1.631 20 0 BDADRP CC(C)([NH3+])CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000346818168 535198611 /nfs/dbraw/zinc/19/86/11/535198611.db2.gz GMBDXCDCLPAOKD-CYBMUJFWSA-N 2 0 239.407 1.674 20 0 BDADRP CC(C)C[C@@H](CO)[NH2+][C@H](C)CCC[NH3+] ZINC000336684393 187994041 /nfs/dbraw/zinc/99/40/41/187994041.db2.gz JYGITHGGRRJHHR-MNOVXSKESA-N 2 0 202.342 1.110 20 0 BDADRP CC[C@H](C(=O)N1C[C@H]([NH3+])C[C@H]1C)[NH+](CC)CC ZINC000638934396 353097483 /nfs/dbraw/zinc/09/74/83/353097483.db2.gz HUBSQHRGPKADFK-IJLUTSLNSA-N 2 0 241.379 1.055 20 0 BDADRP CC[C@H](C(=O)N1C[C@@H]([NH3+])C[C@@H]1C)[NH+](CC)CC ZINC000638934398 353097552 /nfs/dbraw/zinc/09/75/52/353097552.db2.gz HUBSQHRGPKADFK-SDDRHHMPSA-N 2 0 241.379 1.055 20 0 BDADRP C[N@H+](C[C@@H]1CCC[NH+](C)C1)CC1(O)CCC1 ZINC000336669902 188010717 /nfs/dbraw/zinc/01/07/17/188010717.db2.gz ICZDWTGUOHEESJ-GFCCVEGCSA-N 2 0 226.364 1.175 20 0 BDADRP C=Cn1cc(CN2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cn1 ZINC000278499411 188030870 /nfs/dbraw/zinc/03/08/70/188030870.db2.gz NIEDGBFZBNVGIU-UONOGXRCSA-N 2 0 246.358 1.510 20 0 BDADRP C(C[NH+]1CCN(C2CC2)CC1)C1CC[NH2+]CC1 ZINC000042491226 188042783 /nfs/dbraw/zinc/04/27/83/188042783.db2.gz BRRFUFJCSWBMGZ-UHFFFAOYSA-N 2 0 237.391 1.156 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000043428074 188042999 /nfs/dbraw/zinc/04/29/99/188042999.db2.gz RXNPTMKGQXEAGH-ZIAGYGMSSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000638938933 353121345 /nfs/dbraw/zinc/12/13/45/353121345.db2.gz ZFSRTLKYYSODQA-RAIGVLPGSA-N 2 0 247.342 1.025 20 0 BDADRP Cc1nn(C)cc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000130576315 188048335 /nfs/dbraw/zinc/04/83/35/188048335.db2.gz HZOTVWLTQGAIMA-YUTCNCBUSA-N 2 0 248.374 1.288 20 0 BDADRP COc1ccc(CC[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000131768155 188048857 /nfs/dbraw/zinc/04/88/57/188048857.db2.gz UYKCOJDKZSGIMB-JSGCOSHPSA-N 2 0 248.370 1.907 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000331899809 188053429 /nfs/dbraw/zinc/05/34/29/188053429.db2.gz RCRZAZRTDWCGJZ-AVGNSLFASA-N 2 0 228.380 1.501 20 0 BDADRP CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000037619269 358475034 /nfs/dbraw/zinc/47/50/34/358475034.db2.gz KLNHHBTWRJJVMD-NWDGAFQWSA-N 2 0 241.379 1.104 20 0 BDADRP CC[N@@H+]1CC[C@H](CNC2CC[NH+](CC)CC2)C1 ZINC000037643798 358475455 /nfs/dbraw/zinc/47/54/55/358475455.db2.gz MRZOFSNUWOLKCQ-CYBMUJFWSA-N 2 0 239.407 1.402 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@]2(C)CCOC2)CC1 ZINC000336762082 353196291 /nfs/dbraw/zinc/19/62/91/353196291.db2.gz KZXMYKIGTPIVSH-ZDUSSCGKSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@H]1C[N@H+](CCc2cccnc2)CC[C@H]1[NH3+] ZINC000251942161 353293364 /nfs/dbraw/zinc/29/33/64/353293364.db2.gz ZRDQUJUQLMWZKT-WCQYABFASA-N 2 0 219.332 1.293 20 0 BDADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@H]1CCC[NH2+]C1 ZINC000251869569 353293607 /nfs/dbraw/zinc/29/36/07/353293607.db2.gz TXVRMESRJJXZSI-HZSPNIEDSA-N 2 0 237.391 1.155 20 0 BDADRP Cc1cc(CN2CCO[C@H](C[NH3+])C2)c(C)s1 ZINC000165489894 353367117 /nfs/dbraw/zinc/36/71/17/353367117.db2.gz JKYLQWXJZCLWAS-GFCCVEGCSA-N 2 0 240.372 1.524 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cccc(O)c3)C[C@@H]21 ZINC000230126208 353473522 /nfs/dbraw/zinc/47/35/22/353473522.db2.gz NYESHHZTXMSUHL-AEGPPILISA-N 2 0 246.354 1.951 20 0 BDADRP Cc1c[nH+]ccc1N1CC[NH+](C2CC2)CC1 ZINC000192540108 353553716 /nfs/dbraw/zinc/55/37/16/353553716.db2.gz LEPKUJUZIZMRKZ-UHFFFAOYSA-N 2 0 217.316 1.674 20 0 BDADRP CC(C)([NH3+])C[N@@H+]1CCSC(C)(C)CC1 ZINC000231051343 353561177 /nfs/dbraw/zinc/56/11/77/353561177.db2.gz XHOHOGNTZZUGCR-UHFFFAOYSA-N 2 0 216.394 1.941 20 0 BDADRP c1cn(CCC[N@@H+]2CCC[C@@H]3COCC[C@H]32)cn1 ZINC000343313278 353625872 /nfs/dbraw/zinc/62/58/72/353625872.db2.gz GXUFDGBSEWWVBL-ZIAGYGMSSA-N 2 0 249.358 1.774 20 0 BDADRP [NH3+]C1(c2noc(C3CC[NH2+]CC3)n2)CCCC1 ZINC000577868835 366093129 /nfs/dbraw/zinc/09/31/29/366093129.db2.gz MNTHXCBUKGGGCY-UHFFFAOYSA-N 2 0 236.319 1.265 20 0 BDADRP CC(C)([NH2+]CC[C@H]1CC[NH2+]C1)c1nccs1 ZINC000232559937 353733477 /nfs/dbraw/zinc/73/34/77/353733477.db2.gz NDNJXVKZXKTWCA-SNVBAGLBSA-N 2 0 239.388 1.967 20 0 BDADRP CO[C@@](C)(C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)C1CC1 ZINC000639113591 353705872 /nfs/dbraw/zinc/70/58/72/353705872.db2.gz ORNGUXFAKWMYCQ-SCRDCRAPSA-N 2 0 238.375 1.295 20 0 BDADRP CCC[N@@H+]1CC[C@H](CN[C@@H]2C[NH+](C)C[C@H]2C)C1 ZINC000343686574 353963504 /nfs/dbraw/zinc/96/35/04/353963504.db2.gz BOERNKORFQIGAR-MGPQQGTHSA-N 2 0 239.407 1.258 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000449646341 201994488 /nfs/dbraw/zinc/99/44/88/201994488.db2.gz NDPMFSIHAQCFLD-WOPDTQHZSA-N 2 0 241.379 1.008 20 0 BDADRP CC[N@H+](CCN[C@@H]1C[NH+](CC)C[C@H]1C)C(C)C ZINC000343907994 354036806 /nfs/dbraw/zinc/03/68/06/354036806.db2.gz GYKIPJIGCZZOBM-ZIAGYGMSSA-N 2 0 241.423 1.647 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](CO)C[C@H]1C ZINC000344130847 354146283 /nfs/dbraw/zinc/14/62/83/354146283.db2.gz IEVIGWYNBSKZIE-ZIAGYGMSSA-N 2 0 242.407 1.811 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)C2CCC2)[C@@H](C)C1 ZINC000449739790 202016239 /nfs/dbraw/zinc/01/62/39/202016239.db2.gz MHCDDJDTUUDJAV-UBHSHLNASA-N 2 0 240.391 1.467 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)C2CCC2)[C@@H](C)C1 ZINC000449739788 202016503 /nfs/dbraw/zinc/01/65/03/202016503.db2.gz MHCDDJDTUUDJAV-FPMFFAJLSA-N 2 0 240.391 1.467 20 0 BDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC2CC2)CC1 ZINC000449743942 202017418 /nfs/dbraw/zinc/01/74/18/202017418.db2.gz CILWRDDMAPKGJO-UHFFFAOYSA-N 2 0 239.407 1.402 20 0 BDADRP CC[C@@H](C(=O)NC[C@@H](C)[NH+](C)C)[NH+](CC)CC ZINC000344651838 354338155 /nfs/dbraw/zinc/33/81/55/354338155.db2.gz GKYTXSUSSFBRRG-NEPJUHHUSA-N 2 0 243.395 1.173 20 0 BDADRP C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000578005659 366173600 /nfs/dbraw/zinc/17/36/00/366173600.db2.gz FGZKQYBEBMBHBP-AEJSXWLSSA-N 2 0 235.331 1.628 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C[NH2+]C2CC2)cc1 ZINC000178907962 366180562 /nfs/dbraw/zinc/18/05/62/366180562.db2.gz FHMUJISGNHYLIA-SECBINFHSA-N 2 0 233.315 1.397 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCC[C@H]3CCO3)C2)C1 ZINC000639202725 354608182 /nfs/dbraw/zinc/60/81/82/354608182.db2.gz BCAXCHRLMOZYTR-UONOGXRCSA-N 2 0 238.375 1.583 20 0 BDADRP [NH3+]C1CCC([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000335137691 354788374 /nfs/dbraw/zinc/78/83/74/354788374.db2.gz NIBXWQGXWYJRRC-IFWUJCSASA-N 3 0 225.380 1.506 20 0 BDADRP CCCN1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000335177839 354948431 /nfs/dbraw/zinc/94/84/31/354948431.db2.gz RTKBZOWGLQKWFD-QWHCGFSZSA-N 2 0 222.307 1.962 20 0 BDADRP CC(C)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530238167 324552992 /nfs/dbraw/zinc/55/29/92/324552992.db2.gz KGXBIDHOHVPFBO-CQSZACIVSA-N 2 0 240.391 1.733 20 0 BDADRP c1cc(NCC[C@H]2CCC[NH2+]2)nc(C2CC2)n1 ZINC000420231776 192180476 /nfs/dbraw/zinc/18/04/76/192180476.db2.gz APRMAHFHKAYCMN-LLVKDONJSA-N 2 0 232.331 1.330 20 0 BDADRP CC(C)([NH3+])CN1CC[C@H](Nc2ccccc2)C1 ZINC000346863091 355119603 /nfs/dbraw/zinc/11/96/03/355119603.db2.gz WZYSZFAWPBIAAH-ZDUSSCGKSA-N 2 0 233.359 1.910 20 0 BDADRP CC(C)([NH3+])CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000346961853 355170559 /nfs/dbraw/zinc/17/05/59/355170559.db2.gz AAOTWCJVYSQHMB-LBPRGKRZSA-N 2 0 225.380 1.141 20 0 BDADRP CCC1(CO)CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000346983942 355185506 /nfs/dbraw/zinc/18/55/06/355185506.db2.gz NYBYNUXETLPQTO-UHFFFAOYSA-N 2 0 240.391 1.471 20 0 BDADRP CCCc1nccn1CCN1CCOC[C@H]1C ZINC000412996549 191332987 /nfs/dbraw/zinc/33/29/87/191332987.db2.gz FMVYTSRYBWZWQT-GFCCVEGCSA-N 2 0 237.347 1.556 20 0 BDADRP Cc1cnc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cn1 ZINC000639245353 355267011 /nfs/dbraw/zinc/26/70/11/355267011.db2.gz WTHXWBHLALNPRC-CHWSQXEVSA-N 2 0 248.374 1.400 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@H]2C[NH3+])CCO1 ZINC000388887748 355319918 /nfs/dbraw/zinc/31/99/18/355319918.db2.gz KTBVINQEKJJXDV-FVCCEPFGSA-N 2 0 226.364 1.519 20 0 BDADRP COC[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)C1CC1 ZINC000414182147 191453791 /nfs/dbraw/zinc/45/37/91/191453791.db2.gz MYSRDXCEWUHUGW-TZMCWYRMSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)[C@H]1CCCOC1 ZINC000388948793 355377555 /nfs/dbraw/zinc/37/75/55/355377555.db2.gz HNGUIRWXIHAZOW-SDDRHHMPSA-N 2 0 212.337 1.143 20 0 BDADRP CC[C@@H]([NH2+]CCCC[NH+](C)C)c1ccn(C)n1 ZINC000349465054 355386271 /nfs/dbraw/zinc/38/62/71/355386271.db2.gz UOXYBVHBRMNICH-GFCCVEGCSA-N 2 0 238.379 1.803 20 0 BDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)[NH3+] ZINC000166370082 355390745 /nfs/dbraw/zinc/39/07/45/355390745.db2.gz MEUXJKOCCJVNPM-VXGBXAGGSA-N 2 0 241.379 1.104 20 0 BDADRP NC(=[NH2+])NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000263967944 181189849 /nfs/dbraw/zinc/18/98/49/181189849.db2.gz MUNYPVGRTBGEST-ZDUSSCGKSA-N 2 0 246.358 1.034 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCCCN1CC[NH2+]C(C)(C)C ZINC000414647787 191542255 /nfs/dbraw/zinc/54/22/55/191542255.db2.gz AEYZNNBUTPBUOP-RYUDHWBXSA-N 2 0 227.396 1.576 20 0 BDADRP C[C@H]1CCC[C@@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000414785764 191567683 /nfs/dbraw/zinc/56/76/83/191567683.db2.gz WCHAVAXTHAEKKV-STQMWFEESA-N 2 0 225.380 1.060 20 0 BDADRP CC(C)([NH3+])C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000414807448 191576715 /nfs/dbraw/zinc/57/67/15/191576715.db2.gz RHFFULAWFPKIKF-MXWKQRLJSA-N 2 0 224.348 1.271 20 0 BDADRP CCC([NH3+])(CC)C[NH2+]C[C@@H]1CCCOC1 ZINC000414810392 191577456 /nfs/dbraw/zinc/57/74/56/191577456.db2.gz NUDIGNDIGMYNIB-NSHDSACASA-N 2 0 214.353 1.520 20 0 BDADRP CCCC[C@@H](CN)[NH2+]C1CCC([NH3+])CC1 ZINC000414814147 191579038 /nfs/dbraw/zinc/57/90/38/191579038.db2.gz NHLPMKCEAIYYIR-MCIGGMRASA-N 2 0 213.369 1.363 20 0 BDADRP CCCC[C@@H](COC)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414832704 191592454 /nfs/dbraw/zinc/59/24/54/191592454.db2.gz OPKCKHVCGMDRLX-STQMWFEESA-N 2 0 228.380 1.781 20 0 BDADRP CCOC[C@H](C)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414834314 191593732 /nfs/dbraw/zinc/59/37/32/191593732.db2.gz HIBDRDPJCLFFMF-NWDGAFQWSA-N 2 0 214.353 1.391 20 0 BDADRP C[C@H]([NH2+]Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC000414850113 191600461 /nfs/dbraw/zinc/60/04/61/191600461.db2.gz HQLREJIQJDKYRL-AAEUAGOBSA-N 2 0 219.332 1.559 20 0 BDADRP CCCC[C@@H](COC)[NH2+][C@H](C)CCC[NH3+] ZINC000415025935 191656421 /nfs/dbraw/zinc/65/64/21/191656421.db2.gz SBSWINJRUHAQNZ-NEPJUHHUSA-N 2 0 216.369 1.909 20 0 BDADRP CCOC[C@@H](C)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414905161 191621579 /nfs/dbraw/zinc/62/15/79/191621579.db2.gz OBGFQJFYGMIHIB-LLVKDONJSA-N 2 0 214.353 1.391 20 0 BDADRP CC(C)([NH3+])CNC[C@@H]1[NH2+]CCc2ccccc21 ZINC000414963350 191634010 /nfs/dbraw/zinc/63/40/10/191634010.db2.gz XHOKMKUGTHGGAR-ZDUSSCGKSA-N 2 0 233.359 1.200 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+]Cc2cccnc2)CC[NH2+]1 ZINC000415106207 191681812 /nfs/dbraw/zinc/68/18/12/191681812.db2.gz MXDIDRNYSCKLCJ-NEPJUHHUSA-N 2 0 219.332 1.559 20 0 BDADRP NC(=O)C1([NH2+]CC[C@H]2CC[NH2+]C2)CCCCC1 ZINC000333893806 181200879 /nfs/dbraw/zinc/20/08/79/181200879.db2.gz XTXALEONMRKWGU-LLVKDONJSA-N 2 0 239.363 1.814 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000582181901 355646224 /nfs/dbraw/zinc/64/62/24/355646224.db2.gz ZITIHCNNWIYTNO-QWRGUYRKSA-N 3 0 221.348 1.361 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cc(C3CC3)no2)C1 ZINC000639313493 355691015 /nfs/dbraw/zinc/69/10/15/355691015.db2.gz WGIQNGWUFBJNOU-KLPPZKSPSA-N 2 0 249.358 1.982 20 0 BDADRP CSCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129641244 355766177 /nfs/dbraw/zinc/76/61/77/355766177.db2.gz ZHOJNMNVQOYGNL-ZJUUUORDSA-N 2 0 202.367 1.422 20 0 BDADRP C[C@H]1C[C@@H](N2CCc3n[nH]cc3C2)CC[N@@H+]1C ZINC000639343184 355785823 /nfs/dbraw/zinc/78/58/23/355785823.db2.gz GUQODPHTULXIEY-JQWIXIFHSA-N 2 0 234.347 1.251 20 0 BDADRP COc1ccccc1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000216026937 355798001 /nfs/dbraw/zinc/79/80/01/355798001.db2.gz ICLRNIILWSLOKQ-RYUDHWBXSA-N 2 0 234.343 1.864 20 0 BDADRP COc1ccccc1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000216026896 355798084 /nfs/dbraw/zinc/79/80/84/355798084.db2.gz ICLRNIILWSLOKQ-NEPJUHHUSA-N 2 0 234.343 1.864 20 0 BDADRP CCc1noc(C)c1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351472311 355997609 /nfs/dbraw/zinc/99/76/09/355997609.db2.gz AOZKFPBMGLWEEA-WCFLWFBJSA-N 2 0 249.358 1.715 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccnn1C ZINC000192250938 356079516 /nfs/dbraw/zinc/07/95/16/356079516.db2.gz POSMPPBRXHBKCS-LLVKDONJSA-N 2 0 236.363 1.413 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000666444462 491088515 /nfs/dbraw/zinc/08/85/15/491088515.db2.gz GIOJZEOZHRVNET-KXUCPTDWSA-N 2 0 220.307 1.960 20 0 BDADRP C[C@H]1OCC[C@H]1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000639452415 356232827 /nfs/dbraw/zinc/23/28/27/356232827.db2.gz BOVKPRKYELJPEY-OCCSQVGLSA-N 2 0 240.391 1.685 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCCCN1CC[C@H]1CC[NH2+]C1 ZINC000420265203 192192575 /nfs/dbraw/zinc/19/25/75/192192575.db2.gz BHZKFSGFFIPMAY-YNEHKIRRSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCCCN1CC[C@@H]1CC[NH2+]C1 ZINC000420265201 192192744 /nfs/dbraw/zinc/19/27/44/192192744.db2.gz BHZKFSGFFIPMAY-RWMBFGLXSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000639476723 356272103 /nfs/dbraw/zinc/27/21/03/356272103.db2.gz KBQIQDQFUZUUOS-BFHYXJOUSA-N 2 0 249.358 1.945 20 0 BDADRP C[NH2+]C[C@@H]1CCCN1CC[C@@H]1CCC[NH2+]C1 ZINC000420294094 192203701 /nfs/dbraw/zinc/20/37/01/192203701.db2.gz SJAVCXBYSONOMI-STQMWFEESA-N 2 0 225.380 1.060 20 0 BDADRP Cc1ccc(C[NH2+]C2CCC(C[NH3+])CC2)cn1 ZINC000422889550 192498603 /nfs/dbraw/zinc/49/86/03/192498603.db2.gz GMLGUUAWQLPRTH-UHFFFAOYSA-N 2 0 233.359 1.997 20 0 BDADRP CCN(C)C(=O)CC[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000420295996 192205196 /nfs/dbraw/zinc/20/51/96/192205196.db2.gz WKKMNHIGVYEGDG-LBPRGKRZSA-N 2 0 243.395 1.160 20 0 BDADRP CC(C)OC(=O)CC[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000420319241 192195446 /nfs/dbraw/zinc/19/54/46/192195446.db2.gz XOIKPILGFHVOQU-GFCCVEGCSA-N 2 0 242.363 1.389 20 0 BDADRP C[C@@H]1[C@H](C)[NH2+]CCN1CCC[NH+]1CCCCC1 ZINC000420318963 192195953 /nfs/dbraw/zinc/19/59/53/192195953.db2.gz WYAKBYIRPUVUBS-UONOGXRCSA-N 2 0 239.407 1.545 20 0 BDADRP c1cc(CCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)ccn1 ZINC000420318560 192196200 /nfs/dbraw/zinc/19/62/00/192196200.db2.gz QHHHXJYWMQORIA-GJZGRUSLSA-N 2 0 245.370 1.698 20 0 BDADRP CC[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000420299503 192206794 /nfs/dbraw/zinc/20/67/94/192206794.db2.gz GQVMDDBADIEIHW-MGPQQGTHSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000639488502 356305512 /nfs/dbraw/zinc/30/55/12/356305512.db2.gz IRYRKECHTPVNMX-YNEHKIRRSA-N 2 0 226.364 1.295 20 0 BDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420283601 192199265 /nfs/dbraw/zinc/19/92/65/192199265.db2.gz CHMLUMYJPJWNSA-UONOGXRCSA-N 3 0 241.423 1.681 20 0 BDADRP C[C@@](CN)([NH2+]CC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000420282698 192199457 /nfs/dbraw/zinc/19/94/57/192199457.db2.gz BDVGCFPOLCVJQX-AAEUAGOBSA-N 2 0 225.380 1.093 20 0 BDADRP C[C@](CN)([NH2+]CC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000420282700 192199521 /nfs/dbraw/zinc/19/95/21/192199521.db2.gz BDVGCFPOLCVJQX-WCQYABFASA-N 2 0 225.380 1.093 20 0 BDADRP CC[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000420299498 192207113 /nfs/dbraw/zinc/20/71/13/192207113.db2.gz GQVMDDBADIEIHW-BFHYXJOUSA-N 2 0 240.391 1.875 20 0 BDADRP C[NH2+][C@H]1CCCN(CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420287349 192200894 /nfs/dbraw/zinc/20/08/94/192200894.db2.gz GCMTUOYGTFLFIZ-STQMWFEESA-N 2 0 225.380 1.060 20 0 BDADRP C[N@H+](CCCc1ccncc1)CC(C)(C)C[NH3+] ZINC000420290026 192201553 /nfs/dbraw/zinc/20/15/53/192201553.db2.gz LEBBZBPAJPUACC-UHFFFAOYSA-N 2 0 235.375 1.931 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)CC(C)(C)C[NH3+] ZINC000420294439 192202488 /nfs/dbraw/zinc/20/24/88/192202488.db2.gz SSMMVGIKKWWZBI-LBPRGKRZSA-N 3 0 227.396 1.293 20 0 BDADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H]2CCCOC2)CC1 ZINC000336120973 134091058 /nfs/dbraw/zinc/09/10/58/134091058.db2.gz GRXLJLRHXGXXKA-UONOGXRCSA-N 2 0 240.391 1.829 20 0 BDADRP CC[NH+](CC)CCCN1CCCC[C@H]1C[NH3+] ZINC000420295037 192203337 /nfs/dbraw/zinc/20/33/37/192203337.db2.gz OYCJCRGSQGDOJL-ZDUSSCGKSA-N 2 0 227.396 1.532 20 0 BDADRP Nc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccn1 ZINC000420316409 192213393 /nfs/dbraw/zinc/21/33/93/192213393.db2.gz YCLQABWQWADEHZ-XQQFMLRXSA-N 2 0 246.358 1.053 20 0 BDADRP FCCC[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420334898 192214169 /nfs/dbraw/zinc/21/41/69/192214169.db2.gz UNMGCEFZOYFNCG-RYUDHWBXSA-N 2 0 214.328 1.668 20 0 BDADRP FC(F)COCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420345551 192215872 /nfs/dbraw/zinc/21/58/72/192215872.db2.gz VREMJAXKTJFFFZ-PHIMTYICSA-N 2 0 248.317 1.200 20 0 BDADRP Cc1cccc([C@H](C)[N@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000420349919 192218228 /nfs/dbraw/zinc/21/82/28/192218228.db2.gz FEHLVHAMMIYQDV-AAEUAGOBSA-N 2 0 222.332 1.307 20 0 BDADRP [NH3+]C1(C[NH2+]CC[C@H]2CCCCO2)CCC1 ZINC000420302419 192207943 /nfs/dbraw/zinc/20/79/43/192207943.db2.gz GAPYJKCDDKYDDJ-LLVKDONJSA-N 2 0 212.337 1.417 20 0 BDADRP CCC[C@H]1CNCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420305426 192208853 /nfs/dbraw/zinc/20/88/53/192208853.db2.gz KFTGTZBKEJZQPU-KGLIPLIRSA-N 2 0 239.407 1.450 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000420310801 192210128 /nfs/dbraw/zinc/21/01/28/192210128.db2.gz QDSQXBGPDBKOLV-QWHCGFSZSA-N 2 0 227.396 1.387 20 0 BDADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]CC1 ZINC000420313268 192212065 /nfs/dbraw/zinc/21/20/65/192212065.db2.gz PNBQXAYJQWHUSY-KGLIPLIRSA-N 3 0 239.407 1.450 20 0 BDADRP C[C@@]1(C[NH3+])CCN(CCC[NH+]2CCCCC2)C1 ZINC000420315835 192212210 /nfs/dbraw/zinc/21/22/10/192212210.db2.gz MVHBJSMOYOOBBN-AWEZNQCLSA-N 2 0 239.407 1.533 20 0 BDADRP CC[NH+](CC)CCCN1CC[NH2+][C@@H](C)[C@H]1C ZINC000420317030 192212247 /nfs/dbraw/zinc/21/22/47/192212247.db2.gz UHOVKFDTNMFIAS-QWHCGFSZSA-N 2 0 227.396 1.401 20 0 BDADRP Nc1cc(C[N@@H+]2CCCC[C@H]2CC[NH3+])ccn1 ZINC000420313444 192212330 /nfs/dbraw/zinc/21/23/30/192212330.db2.gz JYDBCIGGKASKJD-LBPRGKRZSA-N 2 0 234.347 1.197 20 0 BDADRP COC(=O)[C@H](C)C[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420371104 192227509 /nfs/dbraw/zinc/22/75/09/192227509.db2.gz ZMJZBMRIZOIJJV-NEPJUHHUSA-N 2 0 242.363 1.117 20 0 BDADRP COC(=O)C[C@H]1CCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420370263 192228308 /nfs/dbraw/zinc/22/83/08/192228308.db2.gz YVPGHGOQXCURCB-VXGBXAGGSA-N 2 0 240.347 1.014 20 0 BDADRP COC[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420326175 192229349 /nfs/dbraw/zinc/22/93/49/192229349.db2.gz JLCTZFUXQJJEJW-YNEHKIRRSA-N 2 0 226.364 1.343 20 0 BDADRP C[C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)[C@H](CN)C1 ZINC000420324556 192229597 /nfs/dbraw/zinc/22/95/97/192229597.db2.gz ATYDFJYKJIFIDX-OCCSQVGLSA-N 2 0 239.407 1.435 20 0 BDADRP COCCCCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420327126 192229648 /nfs/dbraw/zinc/22/96/48/192229648.db2.gz DBQYADXXPAIYHO-OKILXGFUSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@@H]1CCN[C@H](C)[C@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000420372232 192230355 /nfs/dbraw/zinc/23/03/55/192230355.db2.gz QBPRNGVKBLSEFY-SYQHCUMBSA-N 2 0 239.407 1.352 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)[C@H](C)CN1C ZINC000420355358 192219490 /nfs/dbraw/zinc/21/94/90/192219490.db2.gz FJKTUBMIPYNYQN-MCIONIFRSA-N 2 0 239.407 1.401 20 0 BDADRP CC[NH+](CC)CCCN[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420357847 192220153 /nfs/dbraw/zinc/22/01/53/192220153.db2.gz DUHVZINIVAMFSW-HZSPNIEDSA-N 2 0 241.423 1.694 20 0 BDADRP [NH3+]CCN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000420360851 192221565 /nfs/dbraw/zinc/22/15/65/192221565.db2.gz MJQJIYWLLUHNSD-UHFFFAOYSA-N 2 0 239.407 1.533 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+]CCC1CC[NH2+]CC1 ZINC000420362549 192222353 /nfs/dbraw/zinc/22/23/53/192222353.db2.gz AUPBGZCXJYPHED-GFCCVEGCSA-N 2 0 236.363 1.251 20 0 BDADRP COc1ccccc1[C@@H](C)[NH2+]CCOCC[NH3+] ZINC000420365448 192223209 /nfs/dbraw/zinc/22/32/09/192223209.db2.gz DVXDTTXPCWRUKT-LLVKDONJSA-N 2 0 238.331 1.321 20 0 BDADRP COCC[C@H]1CCCC[N@H+](CCOCC[NH3+])C1 ZINC000420363718 192223843 /nfs/dbraw/zinc/22/38/43/192223843.db2.gz CCKUFGMSSKCHIX-CYBMUJFWSA-N 2 0 244.379 1.100 20 0 BDADRP CC[N@@H+]1C[C@H](C)N(CCC[NH2+]C)C[C@H]1C ZINC000420365687 192223854 /nfs/dbraw/zinc/22/38/54/192223854.db2.gz SOXMXINFNNPTTE-NEPJUHHUSA-N 2 0 213.369 1.010 20 0 BDADRP C[NH2+]CCCN[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000420393475 192237254 /nfs/dbraw/zinc/23/72/54/192237254.db2.gz CDPGFOXIUJUZOZ-HUUCEWRRSA-N 2 0 247.386 1.631 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H](C)[C@H]1COc2ccccc21 ZINC000420394069 192237261 /nfs/dbraw/zinc/23/72/61/192237261.db2.gz CLQOBIGJNOBRGW-WCQYABFASA-N 2 0 234.343 1.750 20 0 BDADRP c1c[nH]c([C@@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)n1 ZINC000420378403 192232991 /nfs/dbraw/zinc/23/29/91/192232991.db2.gz UBWANCZCPXKLTB-OLZOCXBDSA-N 2 0 248.374 1.936 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CC[C@H](CO)C1 ZINC000049474451 356458437 /nfs/dbraw/zinc/45/84/37/356458437.db2.gz GGLDSPQNIZVQTP-LBPRGKRZSA-N 2 0 214.353 1.033 20 0 BDADRP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H]1C[C@@H](O)C1 ZINC000420917130 192273514 /nfs/dbraw/zinc/27/35/14/192273514.db2.gz QPJJZVAFIALZDT-MCIONIFRSA-N 2 0 240.391 1.564 20 0 BDADRP CCC[NH+]1CCC([N@H+](C)C[C@H]2C[C@@H](O)C2)CC1 ZINC000420914844 192271686 /nfs/dbraw/zinc/27/16/86/192271686.db2.gz KLTYXXKRYHDYIH-XBXGTLAGSA-N 2 0 240.391 1.564 20 0 BDADRP C[N@H+](CCC[NH+]1CCCC1)Cc1cc[nH]c(=O)c1 ZINC000639623457 356542909 /nfs/dbraw/zinc/54/29/09/356542909.db2.gz PWVHNYNMTNIYLT-UHFFFAOYSA-N 2 0 249.358 1.705 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@]12CCOC2 ZINC000421018625 192304180 /nfs/dbraw/zinc/30/41/80/192304180.db2.gz LFBGHOQLUHQVBQ-CYBMUJFWSA-N 2 0 226.364 1.583 20 0 BDADRP CCC(O)(CC)C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422977263 192515038 /nfs/dbraw/zinc/51/50/38/192515038.db2.gz WNPJEYYENANQAN-UWVGGRQHSA-N 2 0 202.342 1.253 20 0 BDADRP [NH3+]CC1CCC([NH2+]CC2(O)CCCCC2)CC1 ZINC000422974652 192534067 /nfs/dbraw/zinc/53/40/67/192534067.db2.gz RMBUWYBYWMOKRP-UHFFFAOYSA-N 2 0 240.391 1.789 20 0 BDADRP CC(C)N1CC[C@@H]([NH2+][C@H](C)CCCC[NH3+])C1=O ZINC000422982797 192518061 /nfs/dbraw/zinc/51/80/61/192518061.db2.gz RJKYTAOXWCNLLH-VXGBXAGGSA-N 2 0 241.379 1.103 20 0 BDADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)C1(C)C ZINC000423019089 192541615 /nfs/dbraw/zinc/54/16/15/192541615.db2.gz TYFCTHFSRNWPCR-NZEXEKPDSA-N 2 0 240.391 1.776 20 0 BDADRP C/C=C/C[C@H](CO)[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423045319 192551873 /nfs/dbraw/zinc/55/18/73/192551873.db2.gz BZPBOJBOEJMYJP-IHJCATOESA-N 2 0 200.326 1.029 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H](C)C(F)(F)F ZINC000423048400 192552073 /nfs/dbraw/zinc/55/20/73/192552073.db2.gz HVGAVVZURBDTOH-YUMQZZPRSA-N 2 0 212.259 1.902 20 0 BDADRP Fc1ccccc1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000088287513 356657150 /nfs/dbraw/zinc/65/71/50/356657150.db2.gz ZSVTYXFKSINHQF-VXGBXAGGSA-N 2 0 220.291 1.477 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000423117329 192573359 /nfs/dbraw/zinc/57/33/59/192573359.db2.gz UYMZOOLVEWDRPK-IVZWLZJFSA-N 2 0 236.306 1.864 20 0 BDADRP CC(C)SCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000393658395 356659181 /nfs/dbraw/zinc/65/91/81/356659181.db2.gz OMGOIGOJLQGXFW-WDEREUQCSA-N 2 0 216.394 1.988 20 0 BDADRP Cc1cnc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)o1 ZINC000639758993 356670053 /nfs/dbraw/zinc/67/00/53/356670053.db2.gz ZEPCBHJSMOJQHA-UHFFFAOYSA-N 2 0 249.358 1.901 20 0 BDADRP Cc1cc(N2CC[C@@H](C)[C@H](C[NH3+])C2)cc[nH+]1 ZINC000167683840 134153378 /nfs/dbraw/zinc/15/33/78/134153378.db2.gz NQVSSLBPNWYOEW-ZYHUDNBSSA-N 2 0 219.332 1.811 20 0 BDADRP CN(C)C[C@]1(O)CCC[N@H+](CCC2CC2)C1 ZINC000639761476 356678691 /nfs/dbraw/zinc/67/86/91/356678691.db2.gz BLKYPLLZRFZPJX-CYBMUJFWSA-N 2 0 226.364 1.175 20 0 BDADRP C[C@@H]1COCC[C@H]1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000423115903 192574441 /nfs/dbraw/zinc/57/44/41/192574441.db2.gz YYTCYYIMDFCFHV-ZIHBUVQPSA-N 2 0 240.391 1.766 20 0 BDADRP C[C@@H](CC(C)(C)O)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423149218 192588182 /nfs/dbraw/zinc/58/81/82/192588182.db2.gz ABXAWUCCWRUNED-UNXYVOJBSA-N 2 0 228.380 1.643 20 0 BDADRP COCC[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130234162 325027616 /nfs/dbraw/zinc/02/76/16/325027616.db2.gz VAHAWEQVYJWPDO-RWMBFGLXSA-N 2 0 226.364 1.628 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@H]2CCOC[C@@H]2C)CC1 ZINC000353987222 356727959 /nfs/dbraw/zinc/72/79/59/356727959.db2.gz ODKGYFREGISMJZ-QWHCGFSZSA-N 2 0 240.391 1.733 20 0 BDADRP C[NH+](C)C(C)(C)CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623336830 356728752 /nfs/dbraw/zinc/72/87/52/356728752.db2.gz HQXJEUDXJRGNJT-LBPRGKRZSA-N 2 0 241.423 1.789 20 0 BDADRP C[C@@H](CCCO)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000423151503 192590489 /nfs/dbraw/zinc/59/04/89/192590489.db2.gz CLCGOPRCEWELDG-HIFPTAJRSA-N 2 0 228.380 1.502 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCOC2)CC1(C)C ZINC000623356314 356792305 /nfs/dbraw/zinc/79/23/05/356792305.db2.gz IJILCYJZVKTMAS-NEPJUHHUSA-N 2 0 226.364 1.485 20 0 BDADRP CC[C@@H](O)[C@H](CC)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423154198 192593604 /nfs/dbraw/zinc/59/36/04/192593604.db2.gz IUGULCUJNNHGSM-IFWUJCSASA-N 2 0 228.380 1.643 20 0 BDADRP CC[C@@H](O)[C@@H](CC)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423154137 192594635 /nfs/dbraw/zinc/59/46/35/192594635.db2.gz IUGULCUJNNHGSM-FIYWTHMPSA-N 2 0 228.380 1.643 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@H](C)CCC[NH3+])C1 ZINC000423158484 192595801 /nfs/dbraw/zinc/59/58/01/192595801.db2.gz CUQARDLHNRTZMD-MXWKQRLJSA-N 2 0 200.326 1.271 20 0 BDADRP CC[C@@H]([NH2+][C@H]1CC[C@@H](CO)C1)[C@@H]1CCC[NH2+]1 ZINC000423156543 192596354 /nfs/dbraw/zinc/59/63/54/192596354.db2.gz LDWYWTUQNOIEEF-XQHKEYJVSA-N 2 0 226.364 1.268 20 0 BDADRP CN1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623372509 356880735 /nfs/dbraw/zinc/88/07/35/356880735.db2.gz XIJPOIQKYSNDRP-OLZOCXBDSA-N 2 0 239.407 1.543 20 0 BDADRP CN1CCC[C@@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623372510 356881100 /nfs/dbraw/zinc/88/11/00/356881100.db2.gz XIJPOIQKYSNDRP-QWHCGFSZSA-N 2 0 239.407 1.543 20 0 BDADRP COC[C@@H]([NH2+]CCC[NH3+])C1CCCC1 ZINC000423184338 192613886 /nfs/dbraw/zinc/61/38/86/192613886.db2.gz IJKMWQXKRQSJRP-LLVKDONJSA-N 2 0 200.326 1.130 20 0 BDADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccco1 ZINC000423185331 192615308 /nfs/dbraw/zinc/61/53/08/192615308.db2.gz VDPNOXWZLHZRKG-LBPRGKRZSA-N 2 0 237.347 1.226 20 0 BDADRP CC[N@@H+]1CCC[C@H]1CNC1CC[NH+](CC)CC1 ZINC000019959680 356995564 /nfs/dbraw/zinc/99/55/64/356995564.db2.gz AGDCYDRBNLMGSA-AWEZNQCLSA-N 2 0 239.407 1.545 20 0 BDADRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1cccs1 ZINC000423200196 192625148 /nfs/dbraw/zinc/62/51/48/192625148.db2.gz DTQNBNOGJZRLSZ-NSHDSACASA-N 2 0 239.388 1.304 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)[C@H]1CCCC[NH2+]1 ZINC000582295311 357029140 /nfs/dbraw/zinc/02/91/40/357029140.db2.gz WBQVDPGBACOUTH-WCQYABFASA-N 3 0 225.380 1.106 20 0 BDADRP CC(C)C[C@H](C)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000389822495 357044879 /nfs/dbraw/zinc/04/48/79/357044879.db2.gz QSEOACYSQGZKQG-NWDGAFQWSA-N 2 0 214.353 1.389 20 0 BDADRP CC[C@H]1CN(C[C@H](O)C[N@H+](C)CC)CCS1 ZINC000390587754 357102416 /nfs/dbraw/zinc/10/24/16/357102416.db2.gz RJJOPLMHXPVDEI-NEPJUHHUSA-N 2 0 246.420 1.126 20 0 BDADRP COCC1(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000656200541 538784490 /nfs/dbraw/zinc/78/44/90/538784490.db2.gz ORRRXNMIHKYEQZ-NWDGAFQWSA-N 2 0 226.364 1.391 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)c1ccc2n[nH]cc2c1)C1C[NH2+]C1 ZINC000582414411 357140188 /nfs/dbraw/zinc/14/01/88/357140188.db2.gz IMCXXZCRKFFOFC-VHSXEESVSA-N 2 0 244.342 1.821 20 0 BDADRP C[NH+](C)C1CCC([NH2+]C[C@@H]2CCC[NH2+]C2)CC1 ZINC000582420335 357144144 /nfs/dbraw/zinc/14/41/44/357144144.db2.gz NEYGPTQBGONHEB-IYXRBSQSSA-N 3 0 239.407 1.448 20 0 BDADRP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)ccn1 ZINC000391161625 357124308 /nfs/dbraw/zinc/12/43/08/357124308.db2.gz NMDKRNZWYZHGJO-CQSZACIVSA-N 2 0 233.359 1.821 20 0 BDADRP CC(F)(F)CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000393596599 357288363 /nfs/dbraw/zinc/28/83/63/357288363.db2.gz AVRSPGXMJQZZDC-IUCAKERBSA-N 2 0 206.280 1.891 20 0 BDADRP C[NH2+]CC1CC[NH+](C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000393279844 357280784 /nfs/dbraw/zinc/28/07/84/357280784.db2.gz XQPUWNZQECOUJN-KBPBESRZSA-N 2 0 240.391 1.469 20 0 BDADRP CCC([NH3+])(CC)CNC1CC[NH+](C2CC2)CC1 ZINC000423294967 192684660 /nfs/dbraw/zinc/68/46/60/192684660.db2.gz VXDRESJEROZYRU-UHFFFAOYSA-N 2 0 239.407 1.720 20 0 BDADRP CC[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)C(C)(C)O ZINC000394004611 357315116 /nfs/dbraw/zinc/31/51/16/357315116.db2.gz MLBSEUFLDBWKKT-DCAQKATOSA-N 2 0 214.353 1.395 20 0 BDADRP C[C@H](O)C[C@H](C)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000157750994 538838000 /nfs/dbraw/zinc/83/80/00/538838000.db2.gz VARWCTFWWKYXPZ-AVGNSLFASA-N 2 0 242.407 1.713 20 0 BDADRP OCC1([NH2+]CC[C@@H]2CCC[NH2+]C2)CCCC1 ZINC000582851821 357419198 /nfs/dbraw/zinc/41/91/98/357419198.db2.gz RIXYGLLKHDENIT-LBPRGKRZSA-N 2 0 226.364 1.271 20 0 BDADRP Cc1cnccc1CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000582857292 357421923 /nfs/dbraw/zinc/42/19/23/357421923.db2.gz ZOZMJAVBSPEBLT-ZIAGYGMSSA-N 2 0 233.359 1.792 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC12CCOCC2 ZINC000582899717 357425336 /nfs/dbraw/zinc/42/53/36/357425336.db2.gz CYYXJCAWOGWOJY-UPJWGTAASA-N 2 0 238.375 1.805 20 0 BDADRP CC(C)[NH2+]CCC[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000582899098 357425377 /nfs/dbraw/zinc/42/53/77/357425377.db2.gz WNQUYIOUYPUUAU-RYUDHWBXSA-N 2 0 214.353 1.532 20 0 BDADRP Cc1nccnc1CC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000583078294 357473779 /nfs/dbraw/zinc/47/37/79/357473779.db2.gz LGZJFPHNNBXXMF-TZMCWYRMSA-N 2 0 248.374 1.435 20 0 BDADRP C(C[C@@H]1CCOC1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000230393035 357533425 /nfs/dbraw/zinc/53/34/25/357533425.db2.gz OTAHEXMYSBKCOO-HZSPNIEDSA-N 2 0 238.375 1.629 20 0 BDADRP CCC[NH+]1CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000230410202 357540102 /nfs/dbraw/zinc/54/01/02/357540102.db2.gz CFDUDWWKIWYLGT-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP CC[C@@H]1CCC[C@@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000397604957 357626491 /nfs/dbraw/zinc/62/64/91/357626491.db2.gz PLWCJSSZKHPSQK-OLZOCXBDSA-N 2 0 240.391 1.611 20 0 BDADRP CCCC1(C[NH2+][C@H](CCC[NH3+])COC)CC1 ZINC000232963449 357694984 /nfs/dbraw/zinc/69/49/84/357694984.db2.gz MNKSEGIARCGULJ-GFCCVEGCSA-N 2 0 228.380 1.910 20 0 BDADRP CCC[NH+]1CCC([NH2+]Cc2ccc(=O)[nH]c2)CC1 ZINC000392870434 357696066 /nfs/dbraw/zinc/69/60/66/357696066.db2.gz BTMYXJJRFQSXIL-UHFFFAOYSA-N 2 0 249.358 1.751 20 0 BDADRP CC1(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)CC1 ZINC000381612028 357731934 /nfs/dbraw/zinc/73/19/34/357731934.db2.gz SQFZJYHCKLVXCC-CYBMUJFWSA-N 2 0 208.349 1.862 20 0 BDADRP C[C@H](Cc1ccsc1)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000583257232 357732796 /nfs/dbraw/zinc/73/27/96/357732796.db2.gz QQVYAXGYCVIVEE-NXEZZACHSA-N 2 0 224.373 1.877 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+]CCC[NH2+]C2CC2)C1(C)C ZINC000233765729 357744909 /nfs/dbraw/zinc/74/49/09/357744909.db2.gz ZORKIDBEMZOPOP-STQMWFEESA-N 2 0 240.391 1.922 20 0 BDADRP CSC1(C[NH2+]CCC[NH+]2CCCC2)CC1 ZINC000235228339 357858650 /nfs/dbraw/zinc/85/86/50/357858650.db2.gz PLUADHGRYLFMED-UHFFFAOYSA-N 2 0 228.405 1.958 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CC1(C2CC2)CC1 ZINC000234714179 357826758 /nfs/dbraw/zinc/82/67/58/357826758.db2.gz WVJOEZAEBIJXJS-GFCCVEGCSA-N 2 0 226.364 1.520 20 0 BDADRP Cc1c[nH+]ccc1N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000192626374 357840493 /nfs/dbraw/zinc/84/04/93/357840493.db2.gz OOSPFPMQBBHXLV-ZDUSSCGKSA-N 2 0 229.327 1.841 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CC1(CO)CCCC1 ZINC000168573133 134226731 /nfs/dbraw/zinc/22/67/31/134226731.db2.gz KUHWQPBHAIGDHY-VXGBXAGGSA-N 2 0 226.364 1.256 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+]CC2(C)COC2)CC1(C)C ZINC000623417089 357869749 /nfs/dbraw/zinc/86/97/49/357869749.db2.gz SGFHCAHIBDLLLV-LLVKDONJSA-N 2 0 226.364 1.485 20 0 BDADRP CO[C@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000193347560 357878501 /nfs/dbraw/zinc/87/85/01/357878501.db2.gz YQAAZWZEBVJQNX-JWURUJNWSA-N 2 0 238.375 1.769 20 0 BDADRP C[C@H](O)[C@H](C)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000583807826 357954871 /nfs/dbraw/zinc/95/48/71/357954871.db2.gz CRPSNSWLSHTVHL-QWRGUYRKSA-N 2 0 214.353 1.220 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000133407178 325293498 /nfs/dbraw/zinc/29/34/98/325293498.db2.gz IYRVQPZFDDFCSY-UTUOFQBUSA-N 2 0 214.353 1.341 20 0 BDADRP C[NH+](C)CCOCC[NH2+]C(C1CC1)C1CC1 ZINC000219311997 357994979 /nfs/dbraw/zinc/99/49/79/357994979.db2.gz DGTSHRXAEJVVQI-UHFFFAOYSA-N 2 0 226.364 1.343 20 0 BDADRP CC(C)OCCC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000168712471 134246571 /nfs/dbraw/zinc/24/65/71/134246571.db2.gz BXRICCRHXNSJGH-GFCCVEGCSA-N 2 0 214.353 1.533 20 0 BDADRP CC[N@H+](CCN[C@@H]1CCC[C@@H]1C[NH3+])C1CC1 ZINC000217506184 134248708 /nfs/dbraw/zinc/24/87/08/134248708.db2.gz XGKPLESKBAKPOU-DGCLKSJQSA-N 2 0 225.380 1.188 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@@H]1CCCOC1 ZINC000169245587 134249873 /nfs/dbraw/zinc/24/98/73/134249873.db2.gz BMBHQQQCSRGEHT-NWDGAFQWSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H](CCc1ccco1)[NH2+]CCCC[NH3+] ZINC000037715311 358092458 /nfs/dbraw/zinc/09/24/58/358092458.db2.gz UBYLUAGIJMRTGN-NSHDSACASA-N 2 0 210.321 1.929 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCC[NH3+] ZINC000584839347 358199186 /nfs/dbraw/zinc/19/91/86/358199186.db2.gz ZNTCIOZATMXVLJ-VXGBXAGGSA-N 2 0 241.379 1.104 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](CO)c2ccccc2)C1 ZINC000223008739 358214153 /nfs/dbraw/zinc/21/41/53/358214153.db2.gz RNWAUZMOAOMUHV-RDBSUJKOSA-N 2 0 234.343 1.580 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000423304970 192693444 /nfs/dbraw/zinc/69/34/44/192693444.db2.gz ZUPYANAWIUOKKN-QWRGUYRKSA-N 2 0 234.343 1.962 20 0 BDADRP CSCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000172423501 134266118 /nfs/dbraw/zinc/26/61/18/134266118.db2.gz UANZCZMNTHDVFZ-GFCCVEGCSA-N 2 0 228.405 1.767 20 0 BDADRP C[C@@H]1C[NH+](C[C@@]2(C)CC[NH2+]C2)C[C@@H](C)S1 ZINC000226682665 358342312 /nfs/dbraw/zinc/34/23/12/358342312.db2.gz UMEAXVMVDWXSRF-UTUOFQBUSA-N 2 0 228.405 1.812 20 0 BDADRP C[C@@H]([NH2+]CCN1CC[C@@H](C)C1)[C@@H]1CCCO1 ZINC000226790962 358344304 /nfs/dbraw/zinc/34/43/04/358344304.db2.gz BXGVZZZYBVFDIZ-UPJWGTAASA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H](c1cnccn1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226969362 358346826 /nfs/dbraw/zinc/34/68/26/358346826.db2.gz HNBYZAOTZSSICC-RYUDHWBXSA-N 2 0 234.347 1.598 20 0 BDADRP C[C@H](CCO)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623426384 358397705 /nfs/dbraw/zinc/39/77/05/358397705.db2.gz LYFIUDHTDPBMDX-GHMZBOCLSA-N 2 0 214.353 1.220 20 0 BDADRP CC(C)CCOCC[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000045107844 358401205 /nfs/dbraw/zinc/40/12/05/358401205.db2.gz KXKMGNGGPUYMPE-OLZOCXBDSA-N 2 0 228.380 1.861 20 0 BDADRP CCCCOCC[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000045107880 358401315 /nfs/dbraw/zinc/40/13/15/358401315.db2.gz RWXAJOXRDSUNDZ-RYUDHWBXSA-N 2 0 214.353 1.615 20 0 BDADRP Cc1nccn1C[C@H](C)C[NH2+]C1CCOCC1 ZINC000174350349 134280833 /nfs/dbraw/zinc/28/08/33/134280833.db2.gz KWWBTRSEDQNIDA-LLVKDONJSA-N 2 0 237.347 1.596 20 0 BDADRP CC[C@@H](COC)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623426875 358431130 /nfs/dbraw/zinc/43/11/30/358431130.db2.gz BXVNPNOZQOHANX-RYUDHWBXSA-N 2 0 228.380 1.874 20 0 BDADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCc2ccccc21 ZINC000219323774 134281397 /nfs/dbraw/zinc/28/13/97/134281397.db2.gz QNUYXQRHARJKSG-OAHLLOKOSA-N 2 0 248.370 1.842 20 0 BDADRP C[C@@H]1CN(CC=C(Cl)Cl)CC[C@@H]1[NH3+] ZINC000403313192 358567443 /nfs/dbraw/zinc/56/74/43/358567443.db2.gz ATJUCKHAVOHHTG-SFYZADRCSA-N 2 0 223.147 1.975 20 0 BDADRP CC[NH+]1CCC(N(C)Cc2ccnn2C)CC1 ZINC000125263098 358536089 /nfs/dbraw/zinc/53/60/89/358536089.db2.gz KVLRKHADZHFYQR-UHFFFAOYSA-N 2 0 236.363 1.336 20 0 BDADRP CCC[NH+]1CCC(N[C@@H](C)C[NH+](C)C)CC1 ZINC000130345215 358619359 /nfs/dbraw/zinc/61/93/59/358619359.db2.gz KAGXIHRXRSOXNO-LBPRGKRZSA-N 2 0 227.396 1.401 20 0 BDADRP COCCOCC[N@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000175716354 134286975 /nfs/dbraw/zinc/28/69/75/134286975.db2.gz SPLNXKPOOZKIJG-CHWSQXEVSA-N 2 0 244.379 1.064 20 0 BDADRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)[C@@H]1CCCO1 ZINC000049332465 358683254 /nfs/dbraw/zinc/68/32/54/358683254.db2.gz APOWJVVZSROMDE-OLZOCXBDSA-N 2 0 226.364 1.629 20 0 BDADRP C[NH+]1CCC(C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000131666218 358687993 /nfs/dbraw/zinc/68/79/93/358687993.db2.gz NPRGWIVHDUCONF-UHFFFAOYSA-N 2 0 247.342 1.426 20 0 BDADRP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C(C)(C)C ZINC000133309572 358750939 /nfs/dbraw/zinc/75/09/39/358750939.db2.gz CSKIMSCMTGPIBK-NWDGAFQWSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(O)CCC1 ZINC000133422278 358754734 /nfs/dbraw/zinc/75/47/34/358754734.db2.gz VNLVVVXPBOSUAR-GRYCIOLGSA-N 2 0 226.364 1.220 20 0 BDADRP [NH3+]Cc1ccc(C(=O)NC2CCC([NH3+])CC2)cc1 ZINC000051694789 358758237 /nfs/dbraw/zinc/75/82/37/358758237.db2.gz DAYBVYRUKQUOOU-UHFFFAOYSA-N 2 0 247.342 1.145 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H](C)[C@@H](C)OC)CC1 ZINC000132243163 358713635 /nfs/dbraw/zinc/71/36/35/358713635.db2.gz KIRKVSSGXONOHF-VXGBXAGGSA-N 2 0 228.380 1.874 20 0 BDADRP CCCC[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000050888397 358738487 /nfs/dbraw/zinc/73/84/87/358738487.db2.gz UEGQJLQBEKHZJM-OLZOCXBDSA-N 2 0 228.380 1.611 20 0 BDADRP CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134884664 358810196 /nfs/dbraw/zinc/81/01/96/358810196.db2.gz MBTYGOTXDJKUMA-DGCLKSJQSA-N 2 0 208.349 1.955 20 0 BDADRP CCC[C@H](O)C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000134360399 358787327 /nfs/dbraw/zinc/78/73/27/358787327.db2.gz JAVBHRHMNUEONP-LEWSCRJBSA-N 2 0 234.343 1.882 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1C[C@H]1C ZINC000321875582 259481140 /nfs/dbraw/zinc/48/11/40/259481140.db2.gz IEUJENQGICRGPI-NTZNESFSSA-N 2 0 210.365 1.962 20 0 BDADRP COC1CCC([NH2+]C[C@H]2CCCN2C)CC1 ZINC000134876452 358809121 /nfs/dbraw/zinc/80/91/21/358809121.db2.gz BELIPMPBWWYVMU-OTTFEQOBSA-N 2 0 226.364 1.628 20 0 BDADRP C[C@H](C[NH2+]C1CSC1)C[NH+]1CCCC1 ZINC000308663082 491137628 /nfs/dbraw/zinc/13/76/28/491137628.db2.gz RCFRXEPEFOTDAD-SNVBAGLBSA-N 2 0 214.378 1.423 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000086403879 358968502 /nfs/dbraw/zinc/96/85/02/358968502.db2.gz FAUSWNJMBSFIQZ-RYUDHWBXSA-N 3 0 213.369 1.188 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CC2(O)CCCCC2)C1 ZINC000086404630 358968619 /nfs/dbraw/zinc/96/86/19/358968619.db2.gz NDJDUBADYXGHIA-RYUDHWBXSA-N 2 0 226.364 1.541 20 0 BDADRP CC(C)[C@H](CCO)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623432511 358943432 /nfs/dbraw/zinc/94/34/32/358943432.db2.gz VUACWTPHYDPQHS-OLZOCXBDSA-N 2 0 242.407 1.856 20 0 BDADRP C[C@]1(CN[C@H]2CCC[C@@H]([NH3+])C2)CCC[NH2+]C1 ZINC000578338028 366528231 /nfs/dbraw/zinc/52/82/31/366528231.db2.gz ZQMQISAPNDTFBR-AGIUHOORSA-N 2 0 225.380 1.236 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@H]1CCO[C@H](C)C1 ZINC000069858059 359034399 /nfs/dbraw/zinc/03/43/99/359034399.db2.gz BNQPMUFJMMTNFP-OLZOCXBDSA-N 2 0 228.380 1.875 20 0 BDADRP CCC[NH2+]CCNC1CC[NH+](C2CC2)CC1 ZINC000423315371 192701913 /nfs/dbraw/zinc/70/19/13/192701913.db2.gz XIWQSMCCYKMATH-UHFFFAOYSA-N 2 0 225.380 1.202 20 0 BDADRP [NH3+]CCCC[NH2+][C@H]1CCC[C@H]1CCF ZINC000423315398 192701922 /nfs/dbraw/zinc/70/19/22/192701922.db2.gz AQVPSVVXHZSLET-QWRGUYRKSA-N 2 0 202.317 1.843 20 0 BDADRP CCOC(=O)CCCCC[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000071293364 359075692 /nfs/dbraw/zinc/07/56/92/359075692.db2.gz SYSGWOZQOXAWER-GFCCVEGCSA-N 2 0 242.363 1.391 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](COC)C(C)C)C1 ZINC000246429189 359083116 /nfs/dbraw/zinc/08/31/16/359083116.db2.gz NCJDXNFGOJJOGB-CHWSQXEVSA-N 2 0 228.380 1.589 20 0 BDADRP CC[NH+](CC)CCCN[C@@H](C)c1nccn1C ZINC000070443410 359053474 /nfs/dbraw/zinc/05/34/74/359053474.db2.gz ZLTIYKVRPZQTQP-LBPRGKRZSA-N 2 0 238.379 1.803 20 0 BDADRP COC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000246567727 359148062 /nfs/dbraw/zinc/14/80/62/359148062.db2.gz XSDMVWLOTYMMDP-KGLIPLIRSA-N 2 0 242.407 1.979 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@H]2CCOC2)C1 ZINC000247186338 359199792 /nfs/dbraw/zinc/19/97/92/359199792.db2.gz VMTVFTDPBUCSTM-MCIONIFRSA-N 2 0 240.391 1.733 20 0 BDADRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H]2CCCO2)C1 ZINC000247213990 359201853 /nfs/dbraw/zinc/20/18/53/359201853.db2.gz CMIVFZVIOABZGP-ZIAGYGMSSA-N 2 0 240.391 1.829 20 0 BDADRP COC[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000247314119 359211282 /nfs/dbraw/zinc/21/12/82/359211282.db2.gz RJNWOJLUENXGSN-KGLIPLIRSA-N 2 0 240.391 1.829 20 0 BDADRP COCCC[C@H](C)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423421142 192749202 /nfs/dbraw/zinc/74/92/02/192749202.db2.gz ATARZBGUAQFRAJ-FPMFFAJLSA-N 2 0 240.391 1.779 20 0 BDADRP CC[C@@H](O)CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623451330 359345457 /nfs/dbraw/zinc/34/54/57/359345457.db2.gz SZSHGNXFUIHFAT-VXGBXAGGSA-N 2 0 228.380 1.610 20 0 BDADRP CC[C@H](O)CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623451327 359345521 /nfs/dbraw/zinc/34/55/21/359345521.db2.gz SZSHGNXFUIHFAT-NEPJUHHUSA-N 2 0 228.380 1.610 20 0 BDADRP COC[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)C1CC1 ZINC000423436316 192769548 /nfs/dbraw/zinc/76/95/48/192769548.db2.gz LOVZRVNCLVGKPX-MJBXVCDLSA-N 2 0 238.375 1.389 20 0 BDADRP CSCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000611533590 359390954 /nfs/dbraw/zinc/39/09/54/359390954.db2.gz QKRCLTLWQPVMGB-UHFFFAOYSA-N 2 0 237.372 1.567 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccc(F)cn1 ZINC000423513362 192800640 /nfs/dbraw/zinc/80/06/40/192800640.db2.gz RHPWVOZPFVXPCS-UMNHJUIQSA-N 2 0 237.322 1.999 20 0 BDADRP CN1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000308936027 491140676 /nfs/dbraw/zinc/14/06/76/491140676.db2.gz KVHFHEMONRMPTE-JHJVBQTASA-N 2 0 208.349 1.859 20 0 BDADRP COCCC[C@H](C)[NH2+]CCC[NH2+]C1CC1 ZINC000423532830 192805626 /nfs/dbraw/zinc/80/56/26/192805626.db2.gz VYSZFDBPZDPJBD-NSHDSACASA-N 2 0 214.353 1.533 20 0 BDADRP C[C@H](Cc1ccoc1)[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000423503260 192796473 /nfs/dbraw/zinc/79/64/73/192796473.db2.gz KHZYNQFTXOUUFD-NQBHXWOUSA-N 2 0 222.332 1.928 20 0 BDADRP CC[C@@H](C)[N@H+](C)C[C@H](O)CN(C)CC ZINC000379540861 359539878 /nfs/dbraw/zinc/53/98/78/359539878.db2.gz PHPGTKSGXMCGDJ-GHMZBOCLSA-N 2 0 202.342 1.029 20 0 BDADRP COC[C@@H](C)C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000191301178 359555250 /nfs/dbraw/zinc/55/52/50/359555250.db2.gz LDLNTXXSJPHYRO-LBPRGKRZSA-N 2 0 228.380 1.731 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2cn[nH]c2)c2ccccc21 ZINC000379590272 359556680 /nfs/dbraw/zinc/55/66/80/359556680.db2.gz UCCZKBMLIXFBTN-KBPBESRZSA-N 2 0 242.326 1.687 20 0 BDADRP CCN(C)C[C@@H](O)C[N@H+](C)C[C@H](C)C(C)(C)C ZINC000399537145 359649568 /nfs/dbraw/zinc/64/95/68/359649568.db2.gz XCYXGIUMRDSOJM-QWHCGFSZSA-N 2 0 244.423 1.913 20 0 BDADRP CC(C)C[NH+]1CCC([NH2+]C2CSC2)CC1 ZINC000309025299 491142797 /nfs/dbraw/zinc/14/27/97/491142797.db2.gz ZOHVHAWSIZDCNL-UHFFFAOYSA-N 2 0 228.405 1.812 20 0 BDADRP CC(C)[NH2+]CCCNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000578504848 366581294 /nfs/dbraw/zinc/58/12/94/366581294.db2.gz VPOQBVVMZDMBTC-NEPJUHHUSA-N 2 0 243.395 1.110 20 0 BDADRP CC(C)(CCC[NH3+])NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000578534366 366593391 /nfs/dbraw/zinc/59/33/91/366593391.db2.gz MKXZXJSMAKDMIA-NSHDSACASA-N 2 0 241.379 1.010 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCSC2)C1 ZINC000231346722 359860004 /nfs/dbraw/zinc/86/00/04/359860004.db2.gz RNEYXZANGSFHNR-KXUCPTDWSA-N 2 0 200.351 1.351 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]C[C@]1(C)CCCO1 ZINC000087233562 359903524 /nfs/dbraw/zinc/90/35/24/359903524.db2.gz JGGKUTSNUJVREX-UPJWGTAASA-N 2 0 226.364 1.676 20 0 BDADRP F[C@@H]1CCN(C/C=C\CN2CC[C@@H](F)C2)C1 ZINC000451196390 202376500 /nfs/dbraw/zinc/37/65/00/202376500.db2.gz MSLWEWWKKAPZAY-JZIZGNRHSA-N 2 0 230.302 1.630 20 0 BDADRP CCN(CCC[NH+](CC)CC)C1COC1 ZINC000451290813 202396625 /nfs/dbraw/zinc/39/66/25/202396625.db2.gz YEIZJJVBURHSPJ-UHFFFAOYSA-N 2 0 214.353 1.439 20 0 BDADRP OCCC[C@@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000087647867 359922355 /nfs/dbraw/zinc/92/23/55/359922355.db2.gz OYPBKJNZCRWFPE-ZDUSSCGKSA-N 2 0 226.364 1.223 20 0 BDADRP CC[NH+]1CCC(C[NH2+]Cc2nccs2)CC1 ZINC000082432846 491146366 /nfs/dbraw/zinc/14/63/66/491146366.db2.gz CMJWLBIRCONAGM-UHFFFAOYSA-N 2 0 239.388 1.965 20 0 BDADRP Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cn1 ZINC000089146299 359992741 /nfs/dbraw/zinc/99/27/41/359992741.db2.gz TXIJEWCBEJHXEV-UONOGXRCSA-N 2 0 233.359 1.997 20 0 BDADRP CC[C@H]([NH2+]CC1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000578857789 366659167 /nfs/dbraw/zinc/65/91/67/366659167.db2.gz YYFLOLIMVRCZND-STQMWFEESA-N 3 0 225.380 1.106 20 0 BDADRP COCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000093488501 360251611 /nfs/dbraw/zinc/25/16/11/360251611.db2.gz WJCRKKMTMXPTBX-MELADBBJSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]([NH2+]CCC(C)(C)O)C1CC[NH+](C)CC1 ZINC000309333783 491147980 /nfs/dbraw/zinc/14/79/80/491147980.db2.gz UPLFSVUEBFMYFT-LLVKDONJSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCC[NH+](C)C ZINC000093496205 360251294 /nfs/dbraw/zinc/25/12/94/360251294.db2.gz SBRVSTGQLOILII-UONOGXRCSA-N 2 0 241.423 1.839 20 0 BDADRP CC1(C)CCC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000094324298 360304133 /nfs/dbraw/zinc/30/41/33/360304133.db2.gz IYOGAVTXMJLARQ-OLZOCXBDSA-N 2 0 240.391 1.611 20 0 BDADRP CC[C@H](C)NC(=O)[C@H](C)N(C)CC(C)(C)C[NH3+] ZINC000093874177 360286230 /nfs/dbraw/zinc/28/62/30/360286230.db2.gz MEYSHTBCAXTLDL-QWRGUYRKSA-N 2 0 243.395 1.206 20 0 BDADRP CCC(C)(C)NC(=O)CN(C)CC(C)(C)C[NH3+] ZINC000093874006 360286301 /nfs/dbraw/zinc/28/63/01/360286301.db2.gz PLTPJJVWLKAXCQ-UHFFFAOYSA-N 2 0 243.395 1.208 20 0 BDADRP CC[C@@H](C)NC(=O)[C@@H](C)N(C)CC(C)(C)C[NH3+] ZINC000093874174 360286368 /nfs/dbraw/zinc/28/63/68/360286368.db2.gz MEYSHTBCAXTLDL-GHMZBOCLSA-N 2 0 243.395 1.206 20 0 BDADRP CC[C@@H](C)NC(=O)[C@H](C)N(C)CC(C)(C)C[NH3+] ZINC000093874176 360286404 /nfs/dbraw/zinc/28/64/04/360286404.db2.gz MEYSHTBCAXTLDL-MNOVXSKESA-N 2 0 243.395 1.206 20 0 BDADRP C([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCOCC1 ZINC000094722679 360316331 /nfs/dbraw/zinc/31/63/31/360316331.db2.gz XTEDWMXYUTYEFX-KGLIPLIRSA-N 2 0 238.375 1.629 20 0 BDADRP C[NH2+]CCCN(C)Cc1ncccc1C ZINC000161860150 360683073 /nfs/dbraw/zinc/68/30/73/360683073.db2.gz JTUJGAUFJJQZPZ-UHFFFAOYSA-N 2 0 207.321 1.431 20 0 BDADRP C[C@H]([NH3+])c1ccc(NCC(C)(C)[NH3+])cc1 ZINC000414803062 200766404 /nfs/dbraw/zinc/76/64/04/200766404.db2.gz JAKNUKKGVMBPGH-VIFPVBQESA-N 2 0 207.321 1.856 20 0 BDADRP CC[C@H](COC)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414838250 200768548 /nfs/dbraw/zinc/76/85/48/200768548.db2.gz VFQMEWDMFZAYLL-WDEREUQCSA-N 2 0 200.326 1.001 20 0 BDADRP C[C@H](CN[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000156258998 360959329 /nfs/dbraw/zinc/95/93/29/360959329.db2.gz YYFYXFAXAUQNSB-TUAOUCFPSA-N 2 0 213.369 1.009 20 0 BDADRP C[C@H](CC1CCC1)[NH2+]CC1([NH3+])CCOCC1 ZINC000629387853 361039819 /nfs/dbraw/zinc/03/98/19/361039819.db2.gz LKIWGRNDQCPJKJ-LLVKDONJSA-N 2 0 226.364 1.663 20 0 BDADRP C[C@@H]1CCC[C@H]([NH2+]CC2([NH3+])CCOCC2)[C@H]1C ZINC000629387831 361039852 /nfs/dbraw/zinc/03/98/52/361039852.db2.gz LFFOJKQSXQAVLT-AGIUHOORSA-N 2 0 240.391 1.909 20 0 BDADRP C[NH2+]CCOCC[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000629392023 361041185 /nfs/dbraw/zinc/04/11/85/361041185.db2.gz HQWJCXCNHFJNGU-VXGBXAGGSA-N 2 0 228.380 1.637 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H]1CCCC[C@@H]1C ZINC000629392668 361042323 /nfs/dbraw/zinc/04/23/23/361042323.db2.gz RRHBUQBIJHLUGN-RYUDHWBXSA-N 2 0 214.353 1.391 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H]1CCCC[C@H]1C ZINC000629392666 361042528 /nfs/dbraw/zinc/04/25/28/361042528.db2.gz RRHBUQBIJHLUGN-NEPJUHHUSA-N 2 0 214.353 1.391 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H]1CCCC(C)(C)C1 ZINC000629391782 361045869 /nfs/dbraw/zinc/04/58/69/361045869.db2.gz DIVFBCBUCVEFRR-LBPRGKRZSA-N 2 0 228.380 1.781 20 0 BDADRP CC(C)[C@@H]1C[C@@H]([NH2+]CCOCCC[NH3+])CCO1 ZINC000629400401 361052042 /nfs/dbraw/zinc/05/20/42/361052042.db2.gz WFQDCHAEWWBBMJ-STQMWFEESA-N 2 0 244.379 1.145 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+]CCOCCC[NH3+])CCO1 ZINC000629400399 361052064 /nfs/dbraw/zinc/05/20/64/361052064.db2.gz WFQDCHAEWWBBMJ-OLZOCXBDSA-N 2 0 244.379 1.145 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1[NH2+]C1CCSCC1 ZINC000629406024 361054266 /nfs/dbraw/zinc/05/42/66/361054266.db2.gz HFEILYKXJKVAGY-WCBMZHEXSA-N 2 0 200.351 1.222 20 0 BDADRP COC[C@@H](CC(C)C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629521706 361117895 /nfs/dbraw/zinc/11/78/95/361117895.db2.gz RUHBIPJCRKCLBK-GFCCVEGCSA-N 2 0 244.379 1.145 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000629512531 361107215 /nfs/dbraw/zinc/10/72/15/361107215.db2.gz CRHBWPWWLQCXIE-VXGBXAGGSA-N 2 0 225.380 1.378 20 0 BDADRP C1=CCC(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000629515339 361112190 /nfs/dbraw/zinc/11/21/90/361112190.db2.gz OTWQCZDOLXPVKD-BFHYXJOUSA-N 2 0 220.360 1.930 20 0 BDADRP C[NH2+]CCOCC[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000629528615 361137030 /nfs/dbraw/zinc/13/70/30/361137030.db2.gz FCXDWZIUOBHBGY-RYUDHWBXSA-N 2 0 228.380 1.637 20 0 BDADRP CC[C@@H]([NH2+]CCOCC[NH2+]C)c1ccccc1 ZINC000629529170 361138301 /nfs/dbraw/zinc/13/83/01/361138301.db2.gz UIBBOLNCBIMBGB-CQSZACIVSA-N 2 0 236.359 1.963 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H](C)CCC=C(C)C ZINC000629528755 361138584 /nfs/dbraw/zinc/13/85/84/361138584.db2.gz ILLBAXRDABDWCH-ZDUSSCGKSA-N 2 0 228.380 1.947 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000629530319 361144382 /nfs/dbraw/zinc/14/43/82/361144382.db2.gz CKUREXNDMOEQNT-QWRGUYRKSA-N 2 0 214.353 1.247 20 0 BDADRP CC[C@@H]([NH2+]CCOCC[NH2+]C)C1CCC1 ZINC000629530583 361144473 /nfs/dbraw/zinc/14/44/73/361144473.db2.gz KOEPDCHXVKOULZ-GFCCVEGCSA-N 2 0 214.353 1.391 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000629530318 361144682 /nfs/dbraw/zinc/14/46/82/361144682.db2.gz CKUREXNDMOEQNT-MNOVXSKESA-N 2 0 214.353 1.247 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000629530649 361145604 /nfs/dbraw/zinc/14/56/04/361145604.db2.gz MLNLQYDYJYRFIK-NSHDSACASA-N 2 0 240.347 1.783 20 0 BDADRP CCC(C)(C)[C@@H](C)[NH2+]CCOCC[NH2+]C ZINC000629530617 361145850 /nfs/dbraw/zinc/14/58/50/361145850.db2.gz LNVOXXIJUJEAHG-LLVKDONJSA-N 2 0 216.369 1.637 20 0 BDADRP CC(C)CC[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000629525345 361125586 /nfs/dbraw/zinc/12/55/86/361125586.db2.gz XWVQWTYROZSRRF-RBKKPWLPSA-N 2 0 240.391 1.656 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000629526147 361126912 /nfs/dbraw/zinc/12/69/12/361126912.db2.gz LQBOZUYVGBGXHT-XDQVBPFNSA-N 2 0 239.407 1.447 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424383489 200926622 /nfs/dbraw/zinc/92/66/22/200926622.db2.gz UGFJEKOWDIIFBT-IHRRRGAJSA-N 2 0 240.391 1.766 20 0 BDADRP Cc1cccc(NCC[C@H]2CCC[NH2+]2)[nH+]1 ZINC000159277129 361228293 /nfs/dbraw/zinc/22/82/93/361228293.db2.gz KCQHWUSFHBAUDN-LLVKDONJSA-N 2 0 205.305 1.944 20 0 BDADRP COCC[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530767 361302038 /nfs/dbraw/zinc/30/20/38/361302038.db2.gz CRSJMDNUFFRGCX-UHFFFAOYSA-N 2 0 228.380 1.831 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CC1(F)F)[C@@H]1CCC[NH2+]1 ZINC000622044024 370672954 /nfs/dbraw/zinc/67/29/54/370672954.db2.gz RXRHQXOXXRVJON-UTLUCORTSA-N 2 0 218.291 1.762 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CC2(F)F)C1 ZINC000622043413 370674050 /nfs/dbraw/zinc/67/40/50/370674050.db2.gz AHLAWZJKVZRAOI-BBBLOLIVSA-N 2 0 218.291 1.891 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CC1(F)F ZINC000622044245 370675437 /nfs/dbraw/zinc/67/54/37/370675437.db2.gz ZSZNCRIUGXLPEY-YIZRAAEISA-N 2 0 204.264 1.501 20 0 BDADRP CC[C@H]1CC[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629535498 361410187 /nfs/dbraw/zinc/41/01/87/361410187.db2.gz CLAACAPZBBQVAY-WDEREUQCSA-N 2 0 200.326 1.130 20 0 BDADRP C[C@H]([NH2+]CCOCCC[NH3+])C(C)(C)C ZINC000629535676 361410478 /nfs/dbraw/zinc/41/04/78/361410478.db2.gz FAJNCTZWSGAVCW-JTQLQIEISA-N 2 0 202.342 1.376 20 0 BDADRP C[C@@H]1CC[C@H](N[C@@H]2C[C@@H]([NH3+])c3ccccc32)C[NH2+]1 ZINC000629535807 361410763 /nfs/dbraw/zinc/41/07/63/361410763.db2.gz DGOFXPXDCUZFGE-BAESOJJISA-N 2 0 245.370 1.861 20 0 BDADRP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629540596 361414211 /nfs/dbraw/zinc/41/42/11/361414211.db2.gz VFBOYMSWFIDGGG-RYUDHWBXSA-N 2 0 228.380 1.766 20 0 BDADRP C[C@@H]([NH2+]CCOCCC[NH3+])C1CCCCC1 ZINC000629540381 361414321 /nfs/dbraw/zinc/41/43/21/361414321.db2.gz PBUYCRKXDYOEHT-GFCCVEGCSA-N 2 0 228.380 1.910 20 0 BDADRP C[C@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)[C@H]1CCCC[NH2+]1 ZINC000629540186 361407312 /nfs/dbraw/zinc/40/73/12/361407312.db2.gz NUSKBDNUIIQICJ-YVECIDJPSA-N 2 0 225.380 1.247 20 0 BDADRP [NH3+]CCCOCC[NH2+][C@H]1CCCc2occc21 ZINC000629539640 361407334 /nfs/dbraw/zinc/40/73/34/361407334.db2.gz QQNBJZUYKPJZTF-LBPRGKRZSA-N 2 0 238.331 1.612 20 0 BDADRP C[C@H](N[C@H]1CC[C@@H](C)[NH2+]C1)[C@@H]1CCCC[NH2+]1 ZINC000629540182 361407343 /nfs/dbraw/zinc/40/73/43/361407343.db2.gz NUSKBDNUIIQICJ-VOAKCMCISA-N 2 0 225.380 1.247 20 0 BDADRP CC1(C)CC[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629534964 361408650 /nfs/dbraw/zinc/40/86/50/361408650.db2.gz BBCYDIYTCZKYDI-SNVBAGLBSA-N 2 0 200.326 1.130 20 0 BDADRP CC[N@@H+]1CC[C@H](N[C@@H]2CC[C@@H](C)[NH2+]C2)[C@@H](C)C1 ZINC000629540992 361415547 /nfs/dbraw/zinc/41/55/47/361415547.db2.gz ZLGGRXFZBWPOFW-DGAVXFQQSA-N 3 0 239.407 1.447 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc[nH]c1=O ZINC000629544705 361423275 /nfs/dbraw/zinc/42/32/75/361423275.db2.gz KGZBJRRWZNXICD-JQWIXIFHSA-N 2 0 235.331 1.394 20 0 BDADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@@H]1CC[NH2+][C@H]1C ZINC000629544829 361424498 /nfs/dbraw/zinc/42/44/98/361424498.db2.gz JTFMVLJHAZZXMN-DDHJSBNISA-N 2 0 247.386 1.285 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000629547439 361430837 /nfs/dbraw/zinc/43/08/37/361430837.db2.gz JTXZTLGODVXXIV-XUXIUFHCSA-N 2 0 238.375 1.661 20 0 BDADRP Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H]1CC[NH2+][C@H]1C ZINC000629547857 361431853 /nfs/dbraw/zinc/43/18/53/361431853.db2.gz VQDSPWWKXHTUGR-UHIISALHSA-N 2 0 248.374 1.250 20 0 BDADRP C[C@@H]1C[NH+](CCC[NH3+])C[C@@H](C)C1(F)F ZINC000629552838 361436469 /nfs/dbraw/zinc/43/64/69/361436469.db2.gz RBJBWDQGYMWKHM-RKDXNWHRSA-N 2 0 206.280 1.558 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000629553627 361439165 /nfs/dbraw/zinc/43/91/65/361439165.db2.gz BULVSWBRPDLIMS-WISYIIOYSA-N 2 0 212.337 1.128 20 0 BDADRP CC[C@@H]([NH2+]C[C@H]1C[C@@H](OC)C1)[C@@H]1CCC[NH2+]1 ZINC000629553931 361439545 /nfs/dbraw/zinc/43/95/45/361439545.db2.gz DTLQLNYDLLROSL-XQHKEYJVSA-N 2 0 226.364 1.532 20 0 BDADRP COCCC1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000629554354 361441402 /nfs/dbraw/zinc/44/14/02/361441402.db2.gz ZMCRYUXRLDYJFR-CYBMUJFWSA-N 2 0 226.364 1.344 20 0 BDADRP CN(CC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])CC(F)F ZINC000629556772 361445475 /nfs/dbraw/zinc/44/54/75/361445475.db2.gz YLXRRIYRHZALLA-GHMZBOCLSA-N 2 0 249.349 1.290 20 0 BDADRP C[C@@H]1CC[C@H](N[C@H]2CCCC[C@H]2C[NH3+])C[NH2+]1 ZINC000629542025 361417481 /nfs/dbraw/zinc/41/74/81/361417481.db2.gz WXXWDCOZMQMHMN-VOAKCMCISA-N 2 0 225.380 1.234 20 0 BDADRP Cc1cccc2c1CC[C@@H]2[NH2+]CCOCCC[NH3+] ZINC000629542261 361419020 /nfs/dbraw/zinc/41/90/20/361419020.db2.gz XGQLADBIUCYYCM-HNNXBMFYSA-N 2 0 248.370 1.937 20 0 BDADRP C[N@H+](CCOCC[NH3+])CC1CCCCCC1 ZINC000629577111 361467455 /nfs/dbraw/zinc/46/74/55/361467455.db2.gz FADVDULVZPLVDI-UHFFFAOYSA-N 2 0 228.380 1.864 20 0 BDADRP CCc1cccc(C[N@H+](C)CCOCC[NH3+])c1 ZINC000629577816 361467995 /nfs/dbraw/zinc/46/79/95/361467995.db2.gz JTMWQYTVBUFYRH-UHFFFAOYSA-N 2 0 236.359 1.656 20 0 BDADRP C[NH2+]CC1CC[NH+](CCCCCOC)CC1 ZINC000430943752 201159362 /nfs/dbraw/zinc/15/93/62/201159362.db2.gz QLLRKUNWGUIPFO-UHFFFAOYSA-N 2 0 228.380 1.735 20 0 BDADRP C[C@H]1CCCC[C@@H]1C[N@H+](C)CCOCC[NH3+] ZINC000629581077 361471598 /nfs/dbraw/zinc/47/15/98/361471598.db2.gz MGUNGCHMMHSQPF-QWHCGFSZSA-N 2 0 228.380 1.720 20 0 BDADRP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CC[C@@H]1CCCO1)C2 ZINC000629596347 361483716 /nfs/dbraw/zinc/48/37/16/361483716.db2.gz XAJVSPUORZTSRE-MELADBBJSA-N 2 0 238.375 1.487 20 0 BDADRP CC[C@H](C(=O)N(C)CC[C@@H]([NH3+])C(C)C)[NH+](C)C ZINC000629611889 361502565 /nfs/dbraw/zinc/50/25/65/361502565.db2.gz JHJQMBCUOLTVKZ-VXGBXAGGSA-N 2 0 243.395 1.158 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC2=CCCOC2)C1 ZINC000629647017 361535748 /nfs/dbraw/zinc/53/57/48/361535748.db2.gz JHNJPXGLFFIOIC-CMPLNLGQSA-N 2 0 210.321 1.002 20 0 BDADRP Cn1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000629647230 361536312 /nfs/dbraw/zinc/53/63/12/361536312.db2.gz NONKBFWHJWHQJY-BFHYXJOUSA-N 2 0 233.359 1.584 20 0 BDADRP Cn1ccc(C[N@@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000629654546 361558866 /nfs/dbraw/zinc/55/88/66/361558866.db2.gz QYTROBZBHXHMHV-ZDUSSCGKSA-N 2 0 221.348 1.728 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2ccn(C)c2)C[C@H]1C[NH3+] ZINC000629648482 361540712 /nfs/dbraw/zinc/54/07/12/361540712.db2.gz PCWWUCKCESPWID-DGCLKSJQSA-N 2 0 221.348 1.442 20 0 BDADRP Cn1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)c1 ZINC000629648353 361541118 /nfs/dbraw/zinc/54/11/18/361541118.db2.gz UHPYGINFOUCKAF-LLVKDONJSA-N 2 0 207.321 1.114 20 0 BDADRP Cc1cnccc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000629648351 361541133 /nfs/dbraw/zinc/54/11/33/361541133.db2.gz UFTRMMLZUPSUFE-GFCCVEGCSA-N 2 0 219.332 1.479 20 0 BDADRP COC1(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)CCCC1 ZINC000629648916 361541798 /nfs/dbraw/zinc/54/17/98/361541798.db2.gz CLAHFGKZZZGHFJ-RYUDHWBXSA-N 2 0 226.364 1.663 20 0 BDADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]CC2=CCCOC2)C1 ZINC000629649071 361542992 /nfs/dbraw/zinc/54/29/92/361542992.db2.gz HAOSLXIGHRJLAQ-CMPLNLGQSA-N 2 0 210.321 1.050 20 0 BDADRP Cn1ccc(C[NH+]2CCC(CC[NH3+])CC2)c1 ZINC000629649459 361544953 /nfs/dbraw/zinc/54/49/53/361544953.db2.gz BEXDKDVAHMEIFT-UHFFFAOYSA-N 2 0 221.348 1.586 20 0 BDADRP Cn1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000629649342 361545092 /nfs/dbraw/zinc/54/50/92/361545092.db2.gz QFZBTBDQANBWMZ-GFCCVEGCSA-N 2 0 207.321 1.257 20 0 BDADRP COC1(C[NH2+]CC[C@@H]([NH3+])C(C)C)CCCC1 ZINC000629649558 361545140 /nfs/dbraw/zinc/54/51/40/361545140.db2.gz CZZOIGROUBESTL-GFCCVEGCSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccn(C)c2)C1 ZINC000629652015 361549495 /nfs/dbraw/zinc/54/94/95/361549495.db2.gz SMRINGNBAKYAMF-AAEUAGOBSA-N 2 0 221.348 1.584 20 0 BDADRP CC[C@H]1C[N@H+](Cc2ccn(C)c2)CC[C@@H]1[NH3+] ZINC000629652198 361549533 /nfs/dbraw/zinc/54/95/33/361549533.db2.gz XSIAAQMVYWYOBQ-STQMWFEESA-N 2 0 221.348 1.584 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)C[C@H]1CCC[C@@H](C)C1 ZINC000629652670 361551182 /nfs/dbraw/zinc/55/11/82/361551182.db2.gz BWNQORUICKRRMX-KGLIPLIRSA-N 2 0 242.407 1.981 20 0 BDADRP COC1(C[N@@H+]2CCNC[C@](C)(F)C2)CCCC1 ZINC000629652487 361551533 /nfs/dbraw/zinc/55/15/33/361551533.db2.gz BYBJCZLXSBPPCU-LBPRGKRZSA-N 2 0 244.354 1.579 20 0 BDADRP CCC[C@H](C)C[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000629653640 361552987 /nfs/dbraw/zinc/55/29/87/361552987.db2.gz RZEBPTHPITUCKN-VIFPVBQESA-N 2 0 238.335 1.167 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](CC2=Cc3ccccc3OC2)C1 ZINC000629651131 361556025 /nfs/dbraw/zinc/55/60/25/361556025.db2.gz AJUVKVPAGQGXPG-GFCCVEGCSA-N 2 0 244.338 1.743 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccn(C)c2)C1 ZINC000629651917 361557377 /nfs/dbraw/zinc/55/73/77/361557377.db2.gz OWBJRBUAMQXYDS-GFCCVEGCSA-N 2 0 221.348 1.457 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)C1(C)CC1 ZINC000153778937 201247903 /nfs/dbraw/zinc/24/79/03/201247903.db2.gz JHXHUMXPLZSQFE-LBPRGKRZSA-N 2 0 228.380 1.733 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CCCCO)C1 ZINC000309978842 491159236 /nfs/dbraw/zinc/15/92/36/491159236.db2.gz VGKXQSOYJNQDFK-OLZOCXBDSA-N 2 0 228.380 1.469 20 0 BDADRP [NH3+]C1CCC([NH2+]Cc2cccc3c2OCO3)CC1 ZINC000051693835 181341683 /nfs/dbraw/zinc/34/16/83/181341683.db2.gz NJNLYEGSMFUXGB-UHFFFAOYSA-N 2 0 248.326 1.775 20 0 BDADRP CC[N@H+](CCOCCOC)[C@@H]1CCC[NH2+]CC1 ZINC000435617731 201278688 /nfs/dbraw/zinc/27/86/88/201278688.db2.gz OEAQQZSTBWNMOH-CYBMUJFWSA-N 2 0 244.379 1.113 20 0 BDADRP C[NH2+]CCC[NH+]1CCC(OCC(C)C)CC1 ZINC000435878921 201292128 /nfs/dbraw/zinc/29/21/28/201292128.db2.gz HKOXFDOKGYKICO-UHFFFAOYSA-N 2 0 228.380 1.733 20 0 BDADRP [NH3+][C@@H](CO)c1ccc(C2=CC[NH2+]CC2)cc1 ZINC000629722915 361663870 /nfs/dbraw/zinc/66/38/70/361663870.db2.gz HPLLJMGTVOCBTD-ZDUSSCGKSA-N 2 0 218.300 1.055 20 0 BDADRP CC[N@@H+]1CC[C@H](N(C)CCC[NH2+]C)C[C@@H]1C ZINC000435878645 201291608 /nfs/dbraw/zinc/29/16/08/201291608.db2.gz DVKJYTYKYXNACJ-STQMWFEESA-N 2 0 227.396 1.401 20 0 BDADRP CC[N@@H+]1CC[C@H](N(C)CCC[NH2+]C)[C@@H](C)C1 ZINC000435881907 201296414 /nfs/dbraw/zinc/29/64/14/201296414.db2.gz WNMPXXJPTYCTDH-STQMWFEESA-N 2 0 227.396 1.258 20 0 BDADRP CC(C)[C@H](C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000154941992 201301520 /nfs/dbraw/zinc/30/15/20/201301520.db2.gz GSKRGEDMAZRSQY-STQMWFEESA-N 2 0 227.396 1.256 20 0 BDADRP C[NH2+]CCC[NH2+][C@@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000435873140 201293895 /nfs/dbraw/zinc/29/38/95/201293895.db2.gz TYHNYAPAZZVXPW-JSGCOSHPSA-N 2 0 242.407 1.763 20 0 BDADRP CCO[C@@H]1C[C@@H]([N@H+](C)CCC[NH2+]C)C1(C)C ZINC000435876918 201294064 /nfs/dbraw/zinc/29/40/64/201294064.db2.gz LOSVMFJMGOLOGQ-VXGBXAGGSA-N 2 0 228.380 1.731 20 0 BDADRP C[NH2+]CCCN1CC[NH2+]CC12CCCCC2 ZINC000435886270 201295651 /nfs/dbraw/zinc/29/56/51/201295651.db2.gz VKGRDIRMZCCOGL-UHFFFAOYSA-N 2 0 225.380 1.204 20 0 BDADRP [NH3+]C1CC[NH+](CCc2cccnc2)CC1 ZINC000037718531 181344520 /nfs/dbraw/zinc/34/45/20/181344520.db2.gz LUIXHJUCHIVPBF-UHFFFAOYSA-N 2 0 205.305 1.047 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H](C)C(C)(C)O)CC1 ZINC000083725713 491162713 /nfs/dbraw/zinc/16/27/13/491162713.db2.gz SNZUDKGZRZDDDK-LLVKDONJSA-N 2 0 228.380 1.610 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H](C)C(C)(C)O)CC1 ZINC000083725709 491162734 /nfs/dbraw/zinc/16/27/34/491162734.db2.gz SNZUDKGZRZDDDK-NSHDSACASA-N 2 0 228.380 1.610 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000422741418 541306792 /nfs/dbraw/zinc/30/67/92/541306792.db2.gz DMDNMNNICLFFJB-CLPYTZEMSA-N 2 0 224.348 1.284 20 0 BDADRP CCC[NH+]1CCC([NH2+]C(C)(C)CO)CC1 ZINC000020196246 541317513 /nfs/dbraw/zinc/31/75/13/541317513.db2.gz DNRPIJXDHRFGMC-UHFFFAOYSA-N 2 0 214.353 1.221 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(N)=[NH2+] ZINC000630387433 364102138 /nfs/dbraw/zinc/10/21/38/364102138.db2.gz PFNHCASMYODGPN-AAEUAGOBSA-N 2 0 246.358 1.238 20 0 BDADRP CN(C)CC(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000725264363 541337680 /nfs/dbraw/zinc/33/76/80/541337680.db2.gz IULTUBUVXPGTJK-UHFFFAOYSA-N 2 0 235.331 1.381 20 0 BDADRP Cc1nc2c(c(NC3CC[NH2+]CC3)n1)CCCC2 ZINC000630551495 364245164 /nfs/dbraw/zinc/24/51/64/364245164.db2.gz LDFQNVJECYDHEO-UHFFFAOYSA-N 2 0 246.358 1.828 20 0 BDADRP [NH3+]CC1CCC([NH2+]CC2(CO)CCC2)CC1 ZINC000332443983 181364300 /nfs/dbraw/zinc/36/43/00/181364300.db2.gz LTMDOTGVHPALNS-UHFFFAOYSA-N 2 0 226.364 1.256 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000248144367 364627217 /nfs/dbraw/zinc/62/72/17/364627217.db2.gz PXYPDKUOEUJQEL-GRYCIOLGSA-N 2 0 214.353 1.076 20 0 BDADRP CC[NH2+]CCCN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000573315696 364795748 /nfs/dbraw/zinc/79/57/48/364795748.db2.gz SGHSHNBSTSLWTF-VXGBXAGGSA-N 2 0 213.369 1.093 20 0 BDADRP CSC[C@H](O)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000573676165 364889975 /nfs/dbraw/zinc/88/99/75/364889975.db2.gz ADWHJLUYOMAHMO-HTAVTVPLSA-N 2 0 246.420 1.173 20 0 BDADRP [NH3+]C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)C1CCCCC1 ZINC000573742441 364907887 /nfs/dbraw/zinc/90/78/87/364907887.db2.gz VFLYYESULPKSRJ-RDBSUJKOSA-N 2 0 239.407 1.754 20 0 BDADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@@H](C)O)C1 ZINC000573914374 364943669 /nfs/dbraw/zinc/94/36/69/364943669.db2.gz ZUUZRLAKCDFDRH-BFHYXJOUSA-N 2 0 242.407 1.713 20 0 BDADRP [NH3+]CCCCCCC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000370019920 181375485 /nfs/dbraw/zinc/37/54/85/181375485.db2.gz MGVAPESDSCLZAH-LBPRGKRZSA-N 2 0 241.379 1.154 20 0 BDADRP CN(C)c1cccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000573934195 364950681 /nfs/dbraw/zinc/95/06/81/364950681.db2.gz RGZOBSJBVMAYKY-RYUDHWBXSA-N 2 0 248.374 1.507 20 0 BDADRP C[C@@H](C[NH3+])N(C)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000574037946 364971936 /nfs/dbraw/zinc/97/19/36/364971936.db2.gz OCKWOSWEDPTUHX-NWDGAFQWSA-N 2 0 241.379 1.057 20 0 BDADRP CCOC[C@@H](C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000574084626 364983320 /nfs/dbraw/zinc/98/33/20/364983320.db2.gz PLBQRSQLMLIXLZ-LLVKDONJSA-N 2 0 222.332 1.660 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@H](F)C1)[C@H]1CCC[NH2+]1 ZINC000574084069 364983603 /nfs/dbraw/zinc/98/36/03/364983603.db2.gz SRWCPVOTBCEITE-FIQHERPVSA-N 2 0 214.328 1.997 20 0 BDADRP [NH3+]CCC[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000036128722 181380984 /nfs/dbraw/zinc/38/09/84/181380984.db2.gz NSFZAYGAVQVCNV-GFCCVEGCSA-N 2 0 205.305 1.567 20 0 BDADRP C[C@@H]1CN(Cc2ccc3c(c2)C[NH2+]CC3)C[C@H]1[NH3+] ZINC000574331644 365038384 /nfs/dbraw/zinc/03/83/84/365038384.db2.gz IQTFWZORYPHFMJ-IAQYHMDHSA-N 2 0 245.370 1.111 20 0 BDADRP C[C@H]([NH3+])CN[C@H]1CCO[C@H]1c1ccccc1 ZINC000574519508 365080979 /nfs/dbraw/zinc/08/09/79/365080979.db2.gz OOQPSNWOSGZKHU-DRZSPHRISA-N 2 0 220.316 1.453 20 0 BDADRP COCCCCC[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443058505 193012143 /nfs/dbraw/zinc/01/21/43/193012143.db2.gz KOVJLYCVFIXHJW-CYBMUJFWSA-N 2 0 228.380 1.864 20 0 BDADRP CC(C)[C@H](O)C1(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000575071798 365188516 /nfs/dbraw/zinc/18/85/16/365188516.db2.gz HQHTYQKNDDHBSS-AGIUHOORSA-N 2 0 240.391 1.643 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)C1 ZINC000575882029 365404993 /nfs/dbraw/zinc/40/49/93/365404993.db2.gz GJWVMTQVHASRCB-XVIXHAIJSA-N 2 0 238.375 1.804 20 0 BDADRP COC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CCCO1 ZINC000576052484 365466410 /nfs/dbraw/zinc/46/64/10/365466410.db2.gz MDOXNXJTVIXZCC-QNWHQSFQSA-N 2 0 242.363 1.040 20 0 BDADRP Cc1nn(C)c(C)c1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000580834547 367180734 /nfs/dbraw/zinc/18/07/34/367180734.db2.gz TWBQOAZOFNOVIU-RKDXNWHRSA-N 2 0 224.352 1.252 20 0 BDADRP CC[C@]1(C)CCC[N@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000580897309 367202060 /nfs/dbraw/zinc/20/20/60/367202060.db2.gz KRYSHKHBYINUHI-CHWSQXEVSA-N 2 0 228.380 1.469 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000581132216 367272258 /nfs/dbraw/zinc/27/22/58/367272258.db2.gz DGGZHVPVMOWURG-SWLSCSKDSA-N 3 0 247.386 1.575 20 0 BDADRP Cc1n[nH]cc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000581075818 367255971 /nfs/dbraw/zinc/25/59/71/367255971.db2.gz YIILGAKOUUFMOH-UHFFFAOYSA-N 2 0 222.336 1.279 20 0 BDADRP CC[NH+]1CCC([NH2+]CCOC(C)(C)C)CC1 ZINC000381314917 367379764 /nfs/dbraw/zinc/37/97/64/367379764.db2.gz MRCOVAQWJGVZCS-UHFFFAOYSA-N 2 0 228.380 1.875 20 0 BDADRP C[N@H+](CCC[NH3+])Cc1cccc(-n2cccn2)c1 ZINC000382055306 367483091 /nfs/dbraw/zinc/48/30/91/367483091.db2.gz GZFAVLFPWLZQBB-UHFFFAOYSA-N 2 0 244.342 1.653 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1NCCC[NH2+]C1CC1 ZINC000382562846 367540833 /nfs/dbraw/zinc/54/08/33/367540833.db2.gz YRDKYXFCCKRFGY-WCQYABFASA-N 2 0 225.380 1.058 20 0 BDADRP C[NH2+]C[C@](C)(O)C[NH+]1CCC(C(C)C)CC1 ZINC000581493701 367522946 /nfs/dbraw/zinc/52/29/46/367522946.db2.gz FHXQCKTVFZSALB-ZDUSSCGKSA-N 2 0 228.380 1.325 20 0 BDADRP [NH3+][C@H]1CCC[C@H](NCC2([NH3+])CCCCCC2)C1 ZINC000581559255 367589942 /nfs/dbraw/zinc/58/99/42/367589942.db2.gz RTORIDBBTUPHMC-STQMWFEESA-N 2 0 239.407 1.898 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)CN(C)C(C)C ZINC000383271747 367609746 /nfs/dbraw/zinc/60/97/46/367609746.db2.gz JQRFRSZRTODEKA-OLZOCXBDSA-N 2 0 245.411 1.059 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C(=O)N(C)[C@H](C)C[NH3+])cc1 ZINC000581606626 367630287 /nfs/dbraw/zinc/63/02/87/367630287.db2.gz WPMOKASKPWKRIO-NXEZZACHSA-N 2 0 235.331 1.126 20 0 BDADRP CCCC[N@H+](C)CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000581618009 367638237 /nfs/dbraw/zinc/63/82/37/367638237.db2.gz NCALMWHPFIDRAE-CHWSQXEVSA-N 2 0 227.396 1.578 20 0 BDADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@@H](C)CC1 ZINC000581613089 367634342 /nfs/dbraw/zinc/63/43/42/367634342.db2.gz QZUZEFKHISEELV-VXGBXAGGSA-N 2 0 214.353 1.079 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2CO)C1 ZINC000581677688 367706463 /nfs/dbraw/zinc/70/64/63/367706463.db2.gz JWUZXAQMRWJXCC-ZIAGYGMSSA-N 2 0 234.343 1.538 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000384385698 367687833 /nfs/dbraw/zinc/68/78/33/367687833.db2.gz MEIYNOMNBLMGAY-NEPJUHHUSA-N 2 0 216.369 1.502 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000384545343 367699149 /nfs/dbraw/zinc/69/91/49/367699149.db2.gz HJMHFVRBNOCQAI-AAVRWANBSA-N 2 0 242.407 1.713 20 0 BDADRP Cc1ncsc1CC[N@@H+](C)C1CC([NH3+])C1 ZINC000384894945 367753429 /nfs/dbraw/zinc/75/34/29/367753429.db2.gz UZWIYITZEIQYQH-UHFFFAOYSA-N 2 0 225.361 1.416 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000384925801 367758807 /nfs/dbraw/zinc/75/88/07/367758807.db2.gz PRTFOQPPMZWRKC-FRRDWIJNSA-N 2 0 228.380 1.872 20 0 BDADRP CC[C@H]1C[N@H+](Cc2ccncc2C)CC[C@@H]1[NH3+] ZINC000385057076 367780076 /nfs/dbraw/zinc/78/00/76/367780076.db2.gz SJIQACVGYOZINR-JSGCOSHPSA-N 2 0 233.359 1.949 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)CC(C)(C)O ZINC000385056937 367780854 /nfs/dbraw/zinc/78/08/54/367780854.db2.gz UEAFOIINFCMTRS-MNOVXSKESA-N 2 0 216.369 1.643 20 0 BDADRP CCC[C@](C)(O)C[NH2+]Cc1cnc(C)n1C ZINC000581737411 367801338 /nfs/dbraw/zinc/80/13/38/367801338.db2.gz HJYVKFFOLUMTMA-LBPRGKRZSA-N 2 0 225.336 1.369 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)C(C)(C)C[NH+](C)C)[C@H](C)O ZINC000581879750 367863550 /nfs/dbraw/zinc/86/35/50/367863550.db2.gz XRIDDOYYIPFEFI-VWYCJHECSA-N 2 0 216.369 1.322 20 0 BDADRP C[C@H](CC(C)(C)O)[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000385965631 367891130 /nfs/dbraw/zinc/89/11/30/367891130.db2.gz GAYVGDNKEFPNLM-UTUOFQBUSA-N 2 0 228.380 1.656 20 0 BDADRP CC[N@H+](CCN[C@@H](C)[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000386012159 367897844 /nfs/dbraw/zinc/89/78/44/367897844.db2.gz MVKMNGJPNPTNDX-JSGCOSHPSA-N 2 0 239.407 1.591 20 0 BDADRP COC[C@H](C)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386544404 367989206 /nfs/dbraw/zinc/98/92/06/367989206.db2.gz FFKBMRBVGSSJLW-GRYCIOLGSA-N 2 0 214.353 1.389 20 0 BDADRP COC[C@H](C)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386544413 367990376 /nfs/dbraw/zinc/99/03/76/367990376.db2.gz FFKBMRBVGSSJLW-WOPDTQHZSA-N 2 0 214.353 1.389 20 0 BDADRP C[C@@H]([NH2+]CCC[C@H](C)CO)[C@@H]1CCCC[NH2+]1 ZINC000386592537 367997830 /nfs/dbraw/zinc/99/78/30/367997830.db2.gz RTIQGVUEINFNPF-XQQFMLRXSA-N 2 0 228.380 1.515 20 0 BDADRP C[C@H]([NH2+]CC1CCOCC1)[C@H]1CCCC[NH2+]1 ZINC000386372886 367958367 /nfs/dbraw/zinc/95/83/67/367958367.db2.gz BOUWEMJSCVRNHN-WCQYABFASA-N 2 0 226.364 1.533 20 0 BDADRP C(C[NH2+]CC1CC[NH2+]CC1)C[C@H]1CCC[NH2+]1 ZINC000581943749 367971383 /nfs/dbraw/zinc/97/13/83/367971383.db2.gz VTCMYNXQRICXPQ-ZDUSSCGKSA-N 3 0 225.380 1.108 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386451795 367975494 /nfs/dbraw/zinc/97/54/94/367975494.db2.gz OBZUTOYEMXCVDE-KBPBESRZSA-N 2 0 241.423 1.837 20 0 BDADRP CCC[N@H+](CC)CCN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386483532 367980832 /nfs/dbraw/zinc/98/08/32/367980832.db2.gz SNGPCMRPTCYFTE-ZIAGYGMSSA-N 2 0 241.423 1.839 20 0 BDADRP C[C@H]1CCCC[C@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000022793114 367986092 /nfs/dbraw/zinc/98/60/92/367986092.db2.gz JEMDMFYDGKRQSR-QWHCGFSZSA-N 2 0 225.380 1.060 20 0 BDADRP CC(C)COCCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000086402407 368879823 /nfs/dbraw/zinc/87/98/23/368879823.db2.gz WLONOFSUKCPRSY-CHWSQXEVSA-N 2 0 228.380 1.909 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000086403731 368880315 /nfs/dbraw/zinc/88/03/15/368880315.db2.gz MMSLHJUZTVPHSI-STQMWFEESA-N 3 0 225.380 1.188 20 0 BDADRP Cc1cccnc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000086404185 368881492 /nfs/dbraw/zinc/88/14/92/368881492.db2.gz QCTMEBURPGSXQX-NEPJUHHUSA-N 2 0 219.332 1.750 20 0 BDADRP COC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623656964 368997692 /nfs/dbraw/zinc/99/76/92/368997692.db2.gz GZCQFSISQPKPLW-NEPJUHHUSA-N 2 0 214.353 1.343 20 0 BDADRP COC[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623656966 368997807 /nfs/dbraw/zinc/99/78/07/368997807.db2.gz GZCQFSISQPKPLW-RYUDHWBXSA-N 2 0 214.353 1.343 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000631830130 369007116 /nfs/dbraw/zinc/00/71/16/369007116.db2.gz KUCAIUNIYUAUTO-RFQIPJPRSA-N 2 0 238.375 1.343 20 0 BDADRP Cc1nccnc1CN[C@@H](C[NH3+])C1CCCCC1 ZINC000631827877 368994805 /nfs/dbraw/zinc/99/48/05/368994805.db2.gz YJYGDBNSRUIIKK-ZDUSSCGKSA-N 2 0 248.374 1.782 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@H]1C[NH3+] ZINC000631837768 369101512 /nfs/dbraw/zinc/10/15/12/369101512.db2.gz WRMIZCRVWIEOLT-IJLUTSLNSA-N 2 0 212.337 1.082 20 0 BDADRP C[NH+](C)C1CCC([NH2+]CC2CC[NH2+]CC2)CC1 ZINC000567612969 326228835 /nfs/dbraw/zinc/22/88/35/326228835.db2.gz GORVPRPAQTWGQD-UHFFFAOYSA-N 3 0 239.407 1.448 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@@H](C)O)C[C@@H]1C ZINC000459356911 203268695 /nfs/dbraw/zinc/26/86/95/203268695.db2.gz LNZMECABCNOBID-QJPTWQEYSA-N 2 0 214.353 1.172 20 0 BDADRP CC[NH+](CC)CCCNC(C)(C)C[NH+](C)C ZINC000459552280 203299662 /nfs/dbraw/zinc/29/96/62/203299662.db2.gz VDDQNDNMBBPDFS-UHFFFAOYSA-N 2 0 229.412 1.648 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)C1 ZINC000459630794 203322976 /nfs/dbraw/zinc/32/29/76/203322976.db2.gz JAHBVNPYXCGZLS-MQYQWHSLSA-N 2 0 240.391 1.874 20 0 BDADRP CC[C@@H]1C[C@H]1C[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000388098573 369452289 /nfs/dbraw/zinc/45/22/89/369452289.db2.gz WVDAOKFYGIWJSA-MDZLAQPJSA-N 2 0 226.364 1.077 20 0 BDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459724943 203342802 /nfs/dbraw/zinc/34/28/02/203342802.db2.gz FJASZJHSBOYESI-MCIONIFRSA-N 2 0 239.407 1.258 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CN1CCc1noc2ccccc21 ZINC000631862067 369474462 /nfs/dbraw/zinc/47/44/62/369474462.db2.gz LBINYFDVJVYGLQ-GHMZBOCLSA-N 2 0 245.326 1.792 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CN1CCC[NH+]1CCCCC1 ZINC000631862215 369486519 /nfs/dbraw/zinc/48/65/19/369486519.db2.gz NFJNLPJFLTYEMC-OLZOCXBDSA-N 2 0 225.380 1.284 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000295141164 181484510 /nfs/dbraw/zinc/48/45/10/181484510.db2.gz PXUJHNWISADJMU-NEPJUHHUSA-N 2 0 247.342 1.601 20 0 BDADRP Cc1cnccc1CN(C)CCC[NH+](C)C ZINC000568024360 326297387 /nfs/dbraw/zinc/29/73/87/326297387.db2.gz FZVNQCQTJVRTMY-UHFFFAOYSA-N 2 0 221.348 1.774 20 0 BDADRP C[C@@H](O)CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000309885091 370272688 /nfs/dbraw/zinc/27/26/88/370272688.db2.gz XRFCBWKWMYPXQO-LPWJVIDDSA-N 2 0 226.364 1.220 20 0 BDADRP CC(C)c1nccn1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000310412020 370342848 /nfs/dbraw/zinc/34/28/48/370342848.db2.gz PAUAIVBAEBURPA-LBPRGKRZSA-N 2 0 239.363 1.708 20 0 BDADRP C(C[C@@H]1CCCCO1)[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631867741 370343055 /nfs/dbraw/zinc/34/30/55/370343055.db2.gz ZVLHHDFMNGZXIP-RDBSUJKOSA-N 2 0 238.375 1.677 20 0 BDADRP C[NH2+]C[C@H]1CCCN(Cc2ccnc(C)c2)C1 ZINC000621773785 370518746 /nfs/dbraw/zinc/51/87/46/370518746.db2.gz BSQKJTKMFBWBFU-CQSZACIVSA-N 2 0 233.359 1.821 20 0 BDADRP CCn1cc(CC[N@H+](C)CC(C)(C)C[NH3+])cn1 ZINC000621774513 370520505 /nfs/dbraw/zinc/52/05/05/370520505.db2.gz WAHQDQSFDUCGIY-UHFFFAOYSA-N 2 0 238.379 1.362 20 0 BDADRP CCn1cc(CC[N@@H+]2CC[C@@](C)(C[NH3+])C2)cn1 ZINC000621775195 370521950 /nfs/dbraw/zinc/52/19/50/370521950.db2.gz IMSXTTMSEOWMLI-ZDUSSCGKSA-N 2 0 236.363 1.116 20 0 BDADRP CCn1cc(CC[NH+]2CCC(C)([NH3+])CC2)cn1 ZINC000621775507 370522758 /nfs/dbraw/zinc/52/27/58/370522758.db2.gz QMFKKGDWAAWUGI-UHFFFAOYSA-N 2 0 236.363 1.259 20 0 BDADRP CCn1nccc1CC[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000621775371 370522878 /nfs/dbraw/zinc/52/28/78/370522878.db2.gz NBQWYIULHKTSBV-RYUDHWBXSA-N 2 0 236.363 1.115 20 0 BDADRP Cc1cc(C[NH+]2CCC(CC[NH3+])CC2)ccn1 ZINC000621776176 370524613 /nfs/dbraw/zinc/52/46/13/370524613.db2.gz DNNNAZSWDYCXBB-UHFFFAOYSA-N 2 0 233.359 1.951 20 0 BDADRP COCCCC[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621782114 370530983 /nfs/dbraw/zinc/53/09/83/370530983.db2.gz MPCHDQJAEPJECJ-RYUDHWBXSA-N 2 0 212.337 1.226 20 0 BDADRP Cc1ncc(CN2C[C@H]3CCC[C@]3([NH3+])C2)s1 ZINC000621781366 370531070 /nfs/dbraw/zinc/53/10/70/370531070.db2.gz COJLOMPZTHYSKV-PWSUYJOCSA-N 2 0 237.372 1.765 20 0 BDADRP [NH3+][C@]12CCC[C@H]1C[N@H+](CCC1CCC1)C2 ZINC000621783440 370533861 /nfs/dbraw/zinc/53/38/61/370533861.db2.gz BLBYCVNFZMQEIT-STQMWFEESA-N 2 0 208.349 1.990 20 0 BDADRP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CC1CC=CC1)C2 ZINC000621784501 370535366 /nfs/dbraw/zinc/53/53/66/370535366.db2.gz PWFDQAXUOMBWNB-CHWSQXEVSA-N 2 0 206.333 1.766 20 0 BDADRP CC[C@H]1CCC[C@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000568617226 326367605 /nfs/dbraw/zinc/36/76/05/326367605.db2.gz XCHPPNIZHOWXNA-UONOGXRCSA-N 2 0 239.407 1.450 20 0 BDADRP CC[NH+]1CCC([NH2+]CC[C@H](O)C(F)F)CC1 ZINC000631699081 371052670 /nfs/dbraw/zinc/05/26/70/371052670.db2.gz XXXTXJOIMBUALK-JTQLQIEISA-N 2 0 236.306 1.076 20 0 BDADRP Cc1cccc(C[NH2+]CCN2CC[C@@H](O)C2)c1 ZINC000623757195 371083635 /nfs/dbraw/zinc/08/36/35/371083635.db2.gz PSBCBVCPPSBVNF-CQSZACIVSA-N 2 0 234.343 1.151 20 0 BDADRP CC[NH+]1CCC(C[NH2+]C[C@H](C)COC)CC1 ZINC000163327619 326398975 /nfs/dbraw/zinc/39/89/75/326398975.db2.gz WEVAFESVNKEUFD-LBPRGKRZSA-N 2 0 228.380 1.590 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]1CCCCO1 ZINC000624009087 371246294 /nfs/dbraw/zinc/24/62/94/371246294.db2.gz OKVMJCMEXYYXRK-YIYPIFLZSA-N 2 0 240.391 1.874 20 0 BDADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CCCOCC2)C1 ZINC000624122015 371323421 /nfs/dbraw/zinc/32/34/21/371323421.db2.gz ICDZMPQIUZSIAB-ZIAGYGMSSA-N 2 0 240.391 1.877 20 0 BDADRP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000624339145 371486689 /nfs/dbraw/zinc/48/66/89/371486689.db2.gz MQTVSQFXIPKQEV-XQQFMLRXSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@H](CCC1CC1)[NH2+]CCN1CC[C@H](O)C1 ZINC000624337371 371486965 /nfs/dbraw/zinc/48/69/65/371486965.db2.gz JDZYMOUIYIAHBL-YPMHNXCESA-N 2 0 226.364 1.221 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2O)CC1(C)C ZINC000631250899 372260247 /nfs/dbraw/zinc/26/02/47/372260247.db2.gz CBZGSMRXIRICSH-SRVKXCTJSA-N 2 0 226.364 1.362 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCC[C@@H]2O)CC1(C)C ZINC000631301405 372284452 /nfs/dbraw/zinc/28/44/52/372284452.db2.gz MCLOHXQQQAFCBY-UPJWGTAASA-N 2 0 240.391 1.752 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000631666639 372491959 /nfs/dbraw/zinc/49/19/59/372491959.db2.gz GNYWTRUUYMDDCO-MCIONIFRSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](C[C@H]2CCO[C@H]2C)CC1 ZINC000631820856 372592926 /nfs/dbraw/zinc/59/29/26/372592926.db2.gz ITAAUDQKLBEFRK-GMXVVIOVSA-N 2 0 226.364 1.471 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000631826346 372606472 /nfs/dbraw/zinc/60/64/72/372606472.db2.gz LJBNANBEKHBWLU-FQUUOJAGSA-N 2 0 238.375 1.343 20 0 BDADRP Cn1cc(CN2CCCCC[C@@H]([NH3+])C2)cn1 ZINC000631833921 372618671 /nfs/dbraw/zinc/61/86/71/372618671.db2.gz LOMXEGSZCGSCIT-GFCCVEGCSA-N 2 0 222.336 1.123 20 0 BDADRP CO[C@H](C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1)C1CCCC1 ZINC000631836620 372624788 /nfs/dbraw/zinc/62/47/88/372624788.db2.gz COURQZODCCVTPV-MRVWCRGKSA-N 2 0 240.391 1.718 20 0 BDADRP [NH3+]CCOCC[NH+]1CCC(CCF)CC1 ZINC000631836706 372625607 /nfs/dbraw/zinc/62/56/07/372625607.db2.gz FKKFAWYUBYQPLK-UHFFFAOYSA-N 2 0 218.316 1.033 20 0 BDADRP C[C@H]1CN(CCC[NH+]2CCCCC2)C[C@H]1C[NH3+] ZINC000631838270 372632480 /nfs/dbraw/zinc/63/24/80/372632480.db2.gz LIUJMOWURSBIFE-UONOGXRCSA-N 2 0 239.407 1.389 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccccc2F)C[C@H]1C[NH3+] ZINC000631842733 372641120 /nfs/dbraw/zinc/64/11/20/372641120.db2.gz DZZNPDQTGNRQCP-ZYHUDNBSSA-N 2 0 222.307 1.852 20 0 BDADRP COCCCCC[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631867471 372669245 /nfs/dbraw/zinc/66/92/45/372669245.db2.gz AWYSKBCDRMNJOF-OLZOCXBDSA-N 2 0 226.364 1.535 20 0 BDADRP Cn1cc(CC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cn1 ZINC000631888880 372684458 /nfs/dbraw/zinc/68/44/58/372684458.db2.gz CRMWDLCVQMZUCA-KBPBESRZSA-N 2 0 248.374 1.037 20 0 BDADRP Nc1cccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631889692 372685387 /nfs/dbraw/zinc/68/53/87/372685387.db2.gz LOZCJTGBPAKXPT-HIFRSBDPSA-N 2 0 245.370 1.843 20 0 BDADRP CC(C)COCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631890897 372687048 /nfs/dbraw/zinc/68/70/48/372687048.db2.gz ULAQVZPTWJLAMY-KBPBESRZSA-N 2 0 240.391 1.733 20 0 BDADRP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]CCCC1CCCCC1 ZINC000414773399 205770994 /nfs/dbraw/zinc/77/09/94/205770994.db2.gz AEFNRBHYTRSACE-UONOGXRCSA-N 2 0 240.391 1.517 20 0 BDADRP CC[NH2+][C@H](C)c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000634557807 374316331 /nfs/dbraw/zinc/31/63/31/374316331.db2.gz HKGGDJKVNWFEHP-SECBINFHSA-N 2 0 246.314 1.866 20 0 BDADRP OC1CCC([NH2+]C2CCN(C3CC3)CC2)CC1 ZINC000236486119 183027479 /nfs/dbraw/zinc/02/74/79/183027479.db2.gz YLSCBRIMIOZUDV-UHFFFAOYSA-N 2 0 238.375 1.506 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)N(C)C1CC[NH+](C)CC1 ZINC000048221062 169006150 /nfs/dbraw/zinc/00/61/50/169006150.db2.gz KUFXUXAUIZEMST-LBPRGKRZSA-N 2 0 241.379 1.057 20 0 BDADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CC2(C)COC2)C1 ZINC000336678676 169077599 /nfs/dbraw/zinc/07/75/99/169077599.db2.gz BVCSIWYCAVJHQS-ZDUSSCGKSA-N 2 0 240.391 1.687 20 0 BDADRP CCC[N@H+](CCCC(=O)OC)C1CC[NH2+]CC1 ZINC000037538932 169153739 /nfs/dbraw/zinc/15/37/39/169153739.db2.gz BHRLSXVDEUNZKJ-UHFFFAOYSA-N 2 0 242.363 1.404 20 0 BDADRP CCC[N@H+](CCOCC)C1CC[NH2+]CC1 ZINC000037993049 169168723 /nfs/dbraw/zinc/16/87/23/169168723.db2.gz FSJUEGGGCYDIIQ-UHFFFAOYSA-N 2 0 214.353 1.487 20 0 BDADRP CCC[NH+]1CCC(C[NH2+][C@H](C)COC)CC1 ZINC000122808134 169186176 /nfs/dbraw/zinc/18/61/76/169186176.db2.gz DYLKISSZAPBBEX-GFCCVEGCSA-N 2 0 228.380 1.733 20 0 BDADRP CCC[NH+]1CCC([NH2+]CC(C)(C)O)CC1 ZINC000049555454 169187914 /nfs/dbraw/zinc/18/79/14/169187914.db2.gz JYSZXWIGJDQXIZ-UHFFFAOYSA-N 2 0 214.353 1.221 20 0 BDADRP CCC[NH+]1CCC(NC[C@@H](C)C[NH3+])CC1 ZINC000309013359 169187951 /nfs/dbraw/zinc/18/79/51/169187951.db2.gz YHYJUHWAYPUJGW-NSHDSACASA-N 2 0 213.369 1.045 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@H]2CCOC2)CC1 ZINC000020189913 169187998 /nfs/dbraw/zinc/18/79/98/169187998.db2.gz BKAVFAICXLGJFG-GFCCVEGCSA-N 2 0 226.364 1.487 20 0 BDADRP CCC[NH+]1CCC([NH2+]CCCOCC)CC1 ZINC000019962813 169188230 /nfs/dbraw/zinc/18/82/30/169188230.db2.gz PLXIFZGWVBOJFD-UHFFFAOYSA-N 2 0 228.380 1.877 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H]2CCSC2)CC1 ZINC000020189563 169190056 /nfs/dbraw/zinc/19/00/56/169190056.db2.gz WHQZRWKCQKNBBP-GFCCVEGCSA-N 2 0 228.405 1.956 20 0 BDADRP CCC[NH+]1CCC(N[C@H]2CCC[NH2+]CC2)CC1 ZINC000128915822 169190213 /nfs/dbraw/zinc/19/02/13/169190213.db2.gz HZKLIVOMQNXFMC-ZDUSSCGKSA-N 2 0 239.407 1.593 20 0 BDADRP CCC[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000360621896 169198707 /nfs/dbraw/zinc/19/87/07/169198707.db2.gz TWBPIFOKPUHUCL-AWEZNQCLSA-N 2 0 239.407 1.356 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+]C2CCC(O)CC2)C1 ZINC000353518656 169207278 /nfs/dbraw/zinc/20/72/78/169207278.db2.gz LIZIVGJJDVZBCQ-IYXRBSQSSA-N 2 0 240.391 1.611 20 0 BDADRP CCC[C@@H]([NH3+])C(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000092630163 169387233 /nfs/dbraw/zinc/38/72/33/169387233.db2.gz WIMMSFWAPMHUPL-VXGBXAGGSA-N 2 0 241.379 1.057 20 0 BDADRP CCC[C@@H](CC)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000125112702 169378541 /nfs/dbraw/zinc/37/85/41/169378541.db2.gz NJTWKEYVIWECAN-CQSZACIVSA-N 2 0 241.423 1.792 20 0 BDADRP C[C@@H](O)CC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000181137003 134336598 /nfs/dbraw/zinc/33/65/98/134336598.db2.gz UGUWOWOPXXZSDW-JHJVBQTASA-N 2 0 242.407 1.856 20 0 BDADRP COC(=O)CCC[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000226466844 134363651 /nfs/dbraw/zinc/36/36/51/134363651.db2.gz GLYAZBQYOWDDCS-LLVKDONJSA-N 2 0 228.336 1.014 20 0 BDADRP C[C@@H]([NH3+])CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000307656440 532962085 /nfs/dbraw/zinc/96/20/85/532962085.db2.gz QMGYJPMHCWELDN-CQSZACIVSA-N 2 0 247.386 1.542 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCO[C@@H](C)C2)C1 ZINC000226588254 134367255 /nfs/dbraw/zinc/36/72/55/134367255.db2.gz SPUHRECXDWQPIQ-YNEHKIRRSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)CCO1 ZINC000227328726 134378096 /nfs/dbraw/zinc/37/80/96/134378096.db2.gz NKUCSMXLLAJPDX-OLZOCXBDSA-N 2 0 240.391 1.875 20 0 BDADRP C[N@H+](CCCF)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000088026323 383906844 /nfs/dbraw/zinc/90/68/44/383906844.db2.gz XOOYPMRCWAZGDU-ZACCUICWSA-N 2 0 200.301 1.561 20 0 BDADRP CC[C@H](O)[C@H](CC)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000313106213 383886530 /nfs/dbraw/zinc/88/65/30/383886530.db2.gz XPMLWVKRLOQLHI-SRVKXCTJSA-N 2 0 214.353 1.268 20 0 BDADRP C1[C@H](c2nc([C@H]3CCC[NH2+]3)no2)C12CC[NH2+]CC2 ZINC000647148707 383895929 /nfs/dbraw/zinc/89/59/29/383895929.db2.gz VRLQOCUZMJHGKN-NXEZZACHSA-N 2 0 248.330 1.351 20 0 BDADRP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000643542535 383978725 /nfs/dbraw/zinc/97/87/25/383978725.db2.gz VBQZDQYLXZRHEP-FRRDWIJNSA-N 2 0 226.364 1.533 20 0 BDADRP Cc1ccc(C[NH2+]C2CC[NH2+]CC2)s1 ZINC000050225373 383979148 /nfs/dbraw/zinc/97/91/48/383979148.db2.gz JJOPPZUVXGQHBS-UHFFFAOYSA-N 2 0 210.346 1.898 20 0 BDADRP COC[C@@H]1CCC[N@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000300056560 383974451 /nfs/dbraw/zinc/97/44/51/383974451.db2.gz LSUVDGXHOYKLNN-CHWSQXEVSA-N 2 0 228.380 1.718 20 0 BDADRP C[C@@H](CCCCO)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000643545296 384012356 /nfs/dbraw/zinc/01/23/56/384012356.db2.gz XCRRHTDUSAMKKE-NWDGAFQWSA-N 2 0 214.353 1.269 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCc2ccccc2O)C1 ZINC000518564397 384013269 /nfs/dbraw/zinc/01/32/69/384013269.db2.gz OCHCPCGKGAKXFA-OLZOCXBDSA-N 2 0 234.343 1.794 20 0 BDADRP CC(C)C[C@H]([NH3+])CNCc1ccc(C[NH3+])cc1 ZINC000573120261 384034833 /nfs/dbraw/zinc/03/48/33/384034833.db2.gz KEDDPHOBWOIXRX-AWEZNQCLSA-N 2 0 235.375 1.608 20 0 BDADRP [NH3+]C1(c2nc([C@@H]3CCC[NH2+]3)no2)CCCCC1 ZINC000647156591 384041487 /nfs/dbraw/zinc/04/14/87/384041487.db2.gz GGZHMKAVSRWJIM-VIFPVBQESA-N 2 0 236.319 1.612 20 0 BDADRP COCCCC[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397326258 384082543 /nfs/dbraw/zinc/08/25/43/384082543.db2.gz ORZUOLYBNOORSX-UPJWGTAASA-N 2 0 228.380 1.718 20 0 BDADRP C[C@@H]1N(CC[C@@H]2CCC[N@@H+]2C)CCOC1(C)C ZINC000336552017 384115781 /nfs/dbraw/zinc/11/57/81/384115781.db2.gz DHNUPDWSHSBJEI-STQMWFEESA-N 2 0 240.391 1.970 20 0 BDADRP C[NH+](C)C[C@H](NC(=O)CCC[NH3+])c1ccccc1 ZINC000040809096 384165503 /nfs/dbraw/zinc/16/55/03/384165503.db2.gz ZBWMIZZDBOBILC-ZDUSSCGKSA-N 2 0 249.358 1.144 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H]2CO[C@H](C)C2)CC1 ZINC000401871840 384185288 /nfs/dbraw/zinc/18/52/88/384185288.db2.gz CJGFQQZDZVFGPC-DGCLKSJQSA-N 2 0 226.364 1.485 20 0 BDADRP COCCC[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000082474965 384232277 /nfs/dbraw/zinc/23/22/77/384232277.db2.gz JJEVZEAWDQQYNJ-SNVBAGLBSA-N 2 0 200.326 1.082 20 0 BDADRP CCc1nc(C)cc(N(C)[C@@H](C[NH3+])C2CC2)n1 ZINC000302508424 384217156 /nfs/dbraw/zinc/21/71/56/384217156.db2.gz MQYSOFGAOPDQBP-NSHDSACASA-N 2 0 234.347 1.521 20 0 BDADRP COC1(C[NH+]2CCC(C[NH3+])CC2)CCCC1 ZINC000319254931 384221777 /nfs/dbraw/zinc/22/17/77/384221777.db2.gz YRRPDWZJPCLDAB-UHFFFAOYSA-N 2 0 226.364 1.616 20 0 BDADRP Cn1cc(CCC[NH2+]CCCC[NH+](C)C)cn1 ZINC000314709348 384226551 /nfs/dbraw/zinc/22/65/51/384226551.db2.gz MNGJROOBGDXYIQ-UHFFFAOYSA-N 2 0 238.379 1.284 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000644166671 384256531 /nfs/dbraw/zinc/25/65/31/384256531.db2.gz STWWVXVNKGRROH-IJLUTSLNSA-N 2 0 214.353 1.397 20 0 BDADRP COC[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000173778244 384259870 /nfs/dbraw/zinc/25/98/70/384259870.db2.gz YTEHTAJESPWLGV-VXGBXAGGSA-N 2 0 230.396 1.977 20 0 BDADRP Cc1ccsc1C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313340372 384269748 /nfs/dbraw/zinc/26/97/48/384269748.db2.gz MEKUKHICQOBDBH-NSHDSACASA-N 2 0 240.372 1.606 20 0 BDADRP C[C@@H](C[N@@H+]1CCCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000313345225 384272920 /nfs/dbraw/zinc/27/29/20/384272920.db2.gz FFUOYEDQWSYOMJ-ZFWWWQNUSA-N 2 0 248.370 1.840 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCCCC2)CO1 ZINC000401914278 384280534 /nfs/dbraw/zinc/28/05/34/384280534.db2.gz ZNEKANLIRNCGKF-CHWSQXEVSA-N 2 0 226.364 1.629 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@@H](C)CO)CC1 ZINC000083215412 384289386 /nfs/dbraw/zinc/28/93/86/384289386.db2.gz CLISUTWYYDTTRP-LLVKDONJSA-N 2 0 214.353 1.079 20 0 BDADRP Cc1ccc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cn1 ZINC000228858807 384345694 /nfs/dbraw/zinc/34/56/94/384345694.db2.gz UYWHNJYQXAGSIS-ZDUSSCGKSA-N 2 0 233.359 1.951 20 0 BDADRP CSCC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000172629503 384393198 /nfs/dbraw/zinc/39/31/98/384393198.db2.gz NKENRNHYCOCTDA-LLVKDONJSA-N 2 0 216.394 1.623 20 0 BDADRP CC(C)(CCO)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000229622926 384395918 /nfs/dbraw/zinc/39/59/18/384395918.db2.gz GRIQLGRTLQTMKY-QWHCGFSZSA-N 2 0 240.391 1.611 20 0 BDADRP Nc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cn1 ZINC000647512004 384399423 /nfs/dbraw/zinc/39/94/23/384399423.db2.gz YXXMUAZJACWIHT-AVGNSLFASA-N 2 0 246.358 1.053 20 0 BDADRP C[C@H]1OCC[C@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000335605267 384376151 /nfs/dbraw/zinc/37/61/51/384376151.db2.gz NRVFOPQULWCCLW-IKWCTNDRSA-N 2 0 226.364 1.626 20 0 BDADRP CSCCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000084222149 384376965 /nfs/dbraw/zinc/37/69/65/384376965.db2.gz LCQVAGOWDGZYGU-ZJUUUORDSA-N 2 0 202.367 1.457 20 0 BDADRP C[C@H]1OCC[C@@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000335607345 384380322 /nfs/dbraw/zinc/38/03/22/384380322.db2.gz RBUFMAWUCXXHPJ-PWSUYJOCSA-N 2 0 210.321 1.015 20 0 BDADRP C[N@H+](CCN[C@@H]1CCC[C@H]1C[NH3+])C1CCCC1 ZINC000249970799 384529394 /nfs/dbraw/zinc/52/93/94/384529394.db2.gz HUVUKTCLWYTOIN-GXTWGEPZSA-N 2 0 239.407 1.578 20 0 BDADRP Cc1cc(N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc[nH+]1 ZINC000229517991 384548643 /nfs/dbraw/zinc/54/86/43/384548643.db2.gz KDIQFKPAYFPIIX-VXGBXAGGSA-N 2 0 219.332 1.954 20 0 BDADRP c1cc([C@@H]2CCC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)n[nH]1 ZINC000643057146 384558052 /nfs/dbraw/zinc/55/80/52/384558052.db2.gz GELYJWPMOGAQDH-CHWSQXEVSA-N 2 0 248.374 1.589 20 0 BDADRP CC[N@H+](CC[C@@H]1CCC[NH2+]C1)C[C@H]1CCOC1 ZINC000643056779 384558919 /nfs/dbraw/zinc/55/89/19/384558919.db2.gz DPYFNAONGKKWHL-UONOGXRCSA-N 2 0 240.391 1.735 20 0 BDADRP CC(C)(C)C[N@H+](CCO)CC[C@@H]1CC[NH2+]C1 ZINC000643057863 384560971 /nfs/dbraw/zinc/56/09/71/384560971.db2.gz NHNUBSXAMRFYGD-LBPRGKRZSA-N 2 0 228.380 1.326 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(CC3CC3)C2)CO1 ZINC000647181871 384561658 /nfs/dbraw/zinc/56/16/58/384561658.db2.gz WOBJEYUUUBHIHD-WXHSDQCUSA-N 2 0 224.348 1.238 20 0 BDADRP CSC[C@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000336645850 384541586 /nfs/dbraw/zinc/54/15/86/384541586.db2.gz ZWZVWSMSQFESBG-UWVGGRQHSA-N 2 0 204.383 1.845 20 0 BDADRP Cc1cccc(CC[NH2+][C@@H]2CCC[C@H]2[NH3+])n1 ZINC000423086980 384564738 /nfs/dbraw/zinc/56/47/38/384564738.db2.gz OKMFHSXJCQGPCA-CHWSQXEVSA-N 2 0 219.332 1.402 20 0 BDADRP Cc1nnsc1CN[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000309785677 384607342 /nfs/dbraw/zinc/60/73/42/384607342.db2.gz SMCKBGYYVPUGIS-PSASIEDQSA-N 2 0 240.376 1.276 20 0 BDADRP CC(C)C[C@H](C)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000300837275 384598022 /nfs/dbraw/zinc/59/80/22/384598022.db2.gz CTLKADREZREWTE-AVGNSLFASA-N 2 0 210.365 1.820 20 0 BDADRP C[NH+](C)[C@@H]1CCCN(Cc2ccc(N)nc2)CC1 ZINC000647538416 384667268 /nfs/dbraw/zinc/66/72/68/384667268.db2.gz QODLXBGQEJPGSW-CYBMUJFWSA-N 2 0 248.374 1.410 20 0 BDADRP c1csc(CC[NH2+]CC2CC[NH2+]CC2)c1 ZINC000086700231 384671730 /nfs/dbraw/zinc/67/17/30/384671730.db2.gz XXYWMAXABMOQFX-UHFFFAOYSA-N 2 0 224.373 1.880 20 0 BDADRP C[N@H+](CC[C@@H]1CCCO1)CC(C)(C)C[NH3+] ZINC000086638239 384672699 /nfs/dbraw/zinc/67/26/99/384672699.db2.gz KPIMPDLIJWATTK-NSHDSACASA-N 2 0 214.353 1.472 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CC[C@H](OC(F)F)C1 ZINC000556942864 384673037 /nfs/dbraw/zinc/67/30/37/384673037.db2.gz KNKDHRBGIQEDOA-ZJUUUORDSA-N 2 0 236.306 1.673 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[NH2+][C@@H](C(C)C)C1 ZINC000647531550 384634468 /nfs/dbraw/zinc/63/44/68/384634468.db2.gz CTOSMOHXIFSQIC-QWHCGFSZSA-N 2 0 227.396 1.290 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000647534575 384645046 /nfs/dbraw/zinc/64/50/46/384645046.db2.gz QTDQJLLARJKGMS-FRRDWIJNSA-N 2 0 225.380 1.044 20 0 BDADRP COCCC[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000086495099 384660062 /nfs/dbraw/zinc/66/00/62/384660062.db2.gz PIGAQTYFOWDENW-MNOVXSKESA-N 2 0 200.326 1.143 20 0 BDADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1cnccn1 ZINC000125360054 384710952 /nfs/dbraw/zinc/71/09/52/384710952.db2.gz GFFKTDDMDQOXFG-LBPRGKRZSA-N 2 0 248.374 1.859 20 0 BDADRP C[NH+](C)CCC[NH2+]C/C=C/c1ccncc1 ZINC000309916679 384719261 /nfs/dbraw/zinc/71/92/61/384719261.db2.gz PUCGHDWIWGRETH-HWKANZROSA-N 2 0 219.332 1.636 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000647546132 384729553 /nfs/dbraw/zinc/72/95/53/384729553.db2.gz AJXFWGBZDYAGCT-UBHSHLNASA-N 2 0 239.407 1.482 20 0 BDADRP CC(C)C[C@H](CN)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647546161 384730329 /nfs/dbraw/zinc/73/03/29/384730329.db2.gz BVJQFDNQDXTROZ-IGQOVBAYSA-N 2 0 239.407 1.338 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](Nc2ccc(C[NH3+])cc2)C1 ZINC000647546862 384733373 /nfs/dbraw/zinc/73/33/73/384733373.db2.gz FDILKKWLZNDMMR-GXFFZTMASA-N 2 0 219.332 1.555 20 0 BDADRP C[C@H]([NH3+])c1ccc(CN[C@@H]2C[NH2+]C[C@@H](C)C2)cc1 ZINC000647546718 384734040 /nfs/dbraw/zinc/73/40/40/384734040.db2.gz XOXBOCDKPCDYNX-HUBLWGQQSA-N 2 0 247.386 1.794 20 0 BDADRP C[C@@H]1NCCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647546954 384734570 /nfs/dbraw/zinc/73/45/70/384734570.db2.gz IBTYYRQRJIWPCC-YHQUGGNUSA-N 2 0 237.391 1.105 20 0 BDADRP C[NH2+]Cc1ccc(N[C@H]2C[NH2+]C[C@H](C)C2)cc1 ZINC000647547366 384737458 /nfs/dbraw/zinc/73/74/58/384737458.db2.gz UOWVABMYGWBDGR-BXUZGUMPSA-N 2 0 233.359 1.816 20 0 BDADRP C1[NH2+]C[C@H]2C[C@H]([NH2+][C@@H]3CCC[NH2+]CC3)CC[C@@H]12 ZINC000647547076 384737526 /nfs/dbraw/zinc/73/75/26/384737526.db2.gz MPQZVKWPMLBTQB-REWJHTLYSA-N 3 0 237.391 1.106 20 0 BDADRP C(C[C@H]1CC[NH2+]C1)[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000423238695 384779315 /nfs/dbraw/zinc/77/93/15/384779315.db2.gz AQZPPFSDDBEEGP-KGYLQXTDSA-N 2 0 208.349 1.764 20 0 BDADRP CC[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000309958563 384744062 /nfs/dbraw/zinc/74/40/62/384744062.db2.gz JXQJRZLVWVEMIZ-FDYHWXHSSA-N 2 0 226.364 1.220 20 0 BDADRP Cc1c[nH]nc1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000368059452 384744862 /nfs/dbraw/zinc/74/48/62/384744862.db2.gz YSELBWZOILXPHZ-VXGBXAGGSA-N 2 0 234.347 1.435 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CN[C@H]1C[NH2+]C[C@@H](C)C1 ZINC000647549876 384745978 /nfs/dbraw/zinc/74/59/78/384745978.db2.gz WKCWKXKITFJVCU-BFHYXJOUSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000647547938 384749916 /nfs/dbraw/zinc/74/99/16/384749916.db2.gz MJEMUYZMCCPTAI-DRZSPHRISA-N 2 0 225.380 1.092 20 0 BDADRP C([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)C1CC[NH2+]CC1 ZINC000647548127 384750002 /nfs/dbraw/zinc/75/00/02/384750002.db2.gz WBSAWYOCKVBKEG-ZDUSSCGKSA-N 3 0 237.391 1.250 20 0 BDADRP C(N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000647547986 384750664 /nfs/dbraw/zinc/75/06/64/384750664.db2.gz QFSJTMDDAPFTEU-QWHCGFSZSA-N 2 0 237.391 1.250 20 0 BDADRP Nc1ccc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cn1 ZINC000647547907 384751607 /nfs/dbraw/zinc/75/16/07/384751607.db2.gz KNZXLAKKBDAUDL-HAQNSBGRSA-N 2 0 248.374 1.349 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(N)nc2)C[C@@H]1C[NH3+] ZINC000647552180 384758876 /nfs/dbraw/zinc/75/88/76/384758876.db2.gz KUTVMDKFYZJYQG-MDZLAQPJSA-N 2 0 248.374 1.299 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647552376 384759107 /nfs/dbraw/zinc/75/91/07/384759107.db2.gz YBBGKVHEDLLMIL-XVIXHAIJSA-N 3 0 237.391 1.234 20 0 BDADRP C[C@H](NC1CC[NH+](C)CC1)[C@@H]1CCCC[NH2+]1 ZINC000335026800 384771570 /nfs/dbraw/zinc/77/15/70/384771570.db2.gz ALJPZWWIQNAQTD-AAEUAGOBSA-N 2 0 225.380 1.201 20 0 BDADRP C([NH2+][C@H]1CC[NH2+]C12CCCC2)C1CC[NH2+]CC1 ZINC000647554317 384772309 /nfs/dbraw/zinc/77/23/09/384772309.db2.gz WQOXGIABQMDDOL-ZDUSSCGKSA-N 3 0 237.391 1.250 20 0 BDADRP C[C@@H](NC1CC[NH+](C)CC1)[C@H]1CCCC[NH2+]1 ZINC000335026801 384772350 /nfs/dbraw/zinc/77/23/50/384772350.db2.gz ALJPZWWIQNAQTD-DGCLKSJQSA-N 2 0 225.380 1.201 20 0 BDADRP C1=C(C[NH2+][C@H]2CC[C@H]2C2CC2)CC[NH2+]C1 ZINC000423343522 384818760 /nfs/dbraw/zinc/81/87/60/384818760.db2.gz DNQDHYNCVKBMAV-STQMWFEESA-N 2 0 206.333 1.684 20 0 BDADRP C1=C(C[NH2+][C@@H]2CC[C@H]2C2CC2)CC[NH2+]C1 ZINC000423343520 384819677 /nfs/dbraw/zinc/81/96/77/384819677.db2.gz DNQDHYNCVKBMAV-QWHCGFSZSA-N 2 0 206.333 1.684 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)C(C)C ZINC000361816288 384820691 /nfs/dbraw/zinc/82/06/91/384820691.db2.gz XKEAPAPPRGEQJS-XJFOESAGSA-N 2 0 242.407 1.976 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)O1 ZINC000398160489 384824254 /nfs/dbraw/zinc/82/42/54/384824254.db2.gz VVIVFYSOCAKMKF-RYMFRWLXSA-N 2 0 240.391 1.872 20 0 BDADRP C[C@@H](C[NH2+][C@H]1CCCSC1)C[NH+](C)C ZINC000308588398 384825195 /nfs/dbraw/zinc/82/51/95/384825195.db2.gz UATZGVUMTMKDEV-QWRGUYRKSA-N 2 0 216.394 1.669 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+]CCCOC(C)C ZINC000107786165 384781649 /nfs/dbraw/zinc/78/16/49/384781649.db2.gz GSTSYTBCRJPRMR-LBPRGKRZSA-N 2 0 216.369 1.765 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](C[C@H]2CCOC2)C[C@@H]1C[NH3+] ZINC000397331973 384798142 /nfs/dbraw/zinc/79/81/42/384798142.db2.gz RHHZQBMFDJUKJK-XQHKEYJVSA-N 2 0 226.364 1.328 20 0 BDADRP C[C@H]1CCCC[C@@H]1C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000335625633 384800117 /nfs/dbraw/zinc/80/01/17/384800117.db2.gz KMXAVQSIGMXCBB-QWHCGFSZSA-N 2 0 240.391 1.598 20 0 BDADRP CC[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1cnn(C)c1 ZINC000423372216 384836556 /nfs/dbraw/zinc/83/65/56/384836556.db2.gz GXFAWKORQFTFES-AGIUHOORSA-N 2 0 236.363 1.731 20 0 BDADRP C[NH+]1CCC(CC[NH2+]Cc2cc[nH]n2)CC1 ZINC000105454127 384870172 /nfs/dbraw/zinc/87/01/72/384870172.db2.gz QYFOLDGBPOSRDX-UHFFFAOYSA-N 2 0 222.336 1.231 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)[C@@H]2CC[NH2+][C@@H]2C)cc1 ZINC000557190453 384876762 /nfs/dbraw/zinc/87/67/62/384876762.db2.gz OXMFZUOQOTTXLG-ZWNOBZJWSA-N 2 0 247.342 1.343 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403843347 384876973 /nfs/dbraw/zinc/87/69/73/384876973.db2.gz QAJAGBDUXMGDIK-RQJABVFESA-N 2 0 240.391 1.766 20 0 BDADRP C(C[C@H]1CCC[NH2+]1)[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000423363677 384840764 /nfs/dbraw/zinc/84/07/64/384840764.db2.gz UVWDXGNQIWFQFI-FRRDWIJNSA-N 2 0 208.349 1.907 20 0 BDADRP CC(C)CCOCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000310120878 384844674 /nfs/dbraw/zinc/84/46/74/384844674.db2.gz DOTMKUBCLKMNJJ-KGLIPLIRSA-N 2 0 240.391 1.590 20 0 BDADRP Cc1cccn2c(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cnc12 ZINC000566230080 384956959 /nfs/dbraw/zinc/95/69/59/384956959.db2.gz FUSWIGNPMODQTM-VXGBXAGGSA-N 3 0 246.358 1.858 20 0 BDADRP Cc1[nH]nc2ncc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc12 ZINC000566230123 384957797 /nfs/dbraw/zinc/95/77/97/384957797.db2.gz JPEPAMMZICUYIB-BDAKNGLRSA-N 2 0 247.346 1.482 20 0 BDADRP COCCCCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000234623530 384891305 /nfs/dbraw/zinc/89/13/05/384891305.db2.gz ZLLBIQTZYZHOSA-VXGBXAGGSA-N 2 0 214.353 1.520 20 0 BDADRP CCC[C@@](C)(O)C[NH2+][C@H](C)CCC[NH3+] ZINC000308656286 384900035 /nfs/dbraw/zinc/90/00/35/384900035.db2.gz NRIRXSRYPFKROI-GHMZBOCLSA-N 2 0 202.342 1.255 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CCCO1 ZINC000087234352 384901895 /nfs/dbraw/zinc/90/18/95/384901895.db2.gz CKMHLUWMJCHBIM-QJPTWQEYSA-N 2 0 212.337 1.415 20 0 BDADRP C[C@@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCCC1 ZINC000644513872 384916367 /nfs/dbraw/zinc/91/63/67/384916367.db2.gz ZSQCXDIVXCUYFV-CYBMUJFWSA-N 2 0 248.370 1.753 20 0 BDADRP [NH3+][C@H]1CCN(CCCCC2CCOCC2)C1 ZINC000300783191 384919444 /nfs/dbraw/zinc/91/94/44/384919444.db2.gz RVTIPYPCWUQGFL-ZDUSSCGKSA-N 2 0 226.364 1.616 20 0 BDADRP C[NH2+]CCC[N@H+](C)CCc1ccc(F)cc1 ZINC000258812159 384939172 /nfs/dbraw/zinc/93/91/72/384939172.db2.gz SNTJIGPZKYFOQN-UHFFFAOYSA-N 2 0 224.323 1.910 20 0 BDADRP C[NH2+]CCC[N@H+](C)CCc1ccccc1OC ZINC000258827079 384940076 /nfs/dbraw/zinc/94/00/76/384940076.db2.gz UYHWEINYWCHUNA-UHFFFAOYSA-N 2 0 236.359 1.779 20 0 BDADRP COC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000401143506 533096665 /nfs/dbraw/zinc/09/66/65/533096665.db2.gz NHNXRRKYCVNFFY-RQJABVFESA-N 2 0 238.375 1.389 20 0 BDADRP CC[C@@H](O)C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000644569897 384965495 /nfs/dbraw/zinc/96/54/95/384965495.db2.gz MGBMSZMVRXMYNJ-NEPJUHHUSA-N 2 0 230.396 1.713 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C)[C@@H](C)C2)CO1 ZINC000401870426 384997244 /nfs/dbraw/zinc/99/72/44/384997244.db2.gz BOJCYLBFUMJNOH-QCNOEVLYSA-N 2 0 212.337 1.236 20 0 BDADRP C([NH2+][C@H]1CC[C@@H]1C1CC1)[C@H]1C[NH2+]CCCO1 ZINC000423491438 385000167 /nfs/dbraw/zinc/00/01/67/385000167.db2.gz JQYDPOXPUSZLQU-UPJWGTAASA-N 2 0 224.348 1.143 20 0 BDADRP Cc1ccc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)nc1 ZINC000310366929 385006993 /nfs/dbraw/zinc/00/69/93/385006993.db2.gz MJKZVSRMIORNMN-TZMCWYRMSA-N 2 0 233.359 1.807 20 0 BDADRP CC[C@@H]1CN(Cc2ccns2)CC[C@H]1[NH3+] ZINC000404490546 385019864 /nfs/dbraw/zinc/01/98/64/385019864.db2.gz IETAHXQVHQCYAU-MWLCHTKSSA-N 2 0 225.361 1.702 20 0 BDADRP C[C@@H](O)C1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000226437506 385019990 /nfs/dbraw/zinc/01/99/90/385019990.db2.gz FFDBCCRFMOCKGP-NEPJUHHUSA-N 2 0 226.364 1.079 20 0 BDADRP CCSCC[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000128921325 384964112 /nfs/dbraw/zinc/96/41/12/384964112.db2.gz ZFQDMBDQFDNNSA-NSHDSACASA-N 2 0 216.394 1.671 20 0 BDADRP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)[C@@H]1CCCO1 ZINC000336644719 385053045 /nfs/dbraw/zinc/05/30/45/385053045.db2.gz CMQNKFNDYFPBAI-RYUDHWBXSA-N 2 0 228.380 1.731 20 0 BDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC1CCOCC1 ZINC000404799790 385073616 /nfs/dbraw/zinc/07/36/16/385073616.db2.gz KFGISAPRDJWPJR-QWRGUYRKSA-N 2 0 212.337 1.128 20 0 BDADRP CN(CC[N@H+](C)C1CC1)C(=O)CCC(C)(C)[NH3+] ZINC000648165858 385074451 /nfs/dbraw/zinc/07/44/51/385074451.db2.gz MUGBIAJMCKGQAV-UHFFFAOYSA-N 2 0 241.379 1.057 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)CO1 ZINC000647206348 385026600 /nfs/dbraw/zinc/02/66/00/385026600.db2.gz PSRFCCHJSYWWHR-CHWSQXEVSA-N 2 0 240.391 1.875 20 0 BDADRP c1cn2c(n1)[C@H](C[NH2+]CC1CCOCC1)CCC2 ZINC000364134631 385030685 /nfs/dbraw/zinc/03/06/85/385030685.db2.gz OHEVLWKGHSZTSK-ZDUSSCGKSA-N 2 0 249.358 1.777 20 0 BDADRP Cc1cc(NC[C@H](C)C[NH+](C)C)nc(C)n1 ZINC000291875482 385032931 /nfs/dbraw/zinc/03/29/31/385032931.db2.gz NWNFSTNEHXFLIH-VIFPVBQESA-N 2 0 222.336 1.703 20 0 BDADRP C[N@H+](CCCNC(N)=[NH2+])C1CCCCC1 ZINC000052020011 385118674 /nfs/dbraw/zinc/11/86/74/385118674.db2.gz KCFDYLZTWFXWAJ-UHFFFAOYSA-N 2 0 212.341 1.124 20 0 BDADRP CN(C[C@H](O)C[NH+]1C[C@H]2CCC[C@@H]2C1)C1CC1 ZINC000310527193 385104477 /nfs/dbraw/zinc/10/44/77/385104477.db2.gz XHWUOUHPZZIDLL-BZPMIXESSA-N 2 0 238.375 1.173 20 0 BDADRP Cc1cc(N2CCC[C@@H](C[NH3+])C2)cc[nH+]1 ZINC000107198587 385186680 /nfs/dbraw/zinc/18/66/80/385186680.db2.gz UTVBGNLESXVGQN-NSHDSACASA-N 2 0 205.305 1.565 20 0 BDADRP CCC[C@H](CCO)C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000305114505 385189214 /nfs/dbraw/zinc/18/92/14/385189214.db2.gz FEAPBEXXXUZJRN-MJBXVCDLSA-N 2 0 242.407 1.715 20 0 BDADRP C[C@@H](CCCC[NH3+])NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000647051718 385192027 /nfs/dbraw/zinc/19/20/27/385192027.db2.gz VSHBAZAXIMUYGT-RYUDHWBXSA-N 2 0 241.379 1.152 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000252710689 385198940 /nfs/dbraw/zinc/19/89/40/385198940.db2.gz HKAYVYSDAUZCST-FRRDWIJNSA-N 2 0 226.364 1.485 20 0 BDADRP COCC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424289815 385148137 /nfs/dbraw/zinc/14/81/37/385148137.db2.gz CINQLFPXPNGNGZ-GMTAPVOTSA-N 2 0 200.326 1.271 20 0 BDADRP CC[NH+]1CCC([NH2+]CCCCCO)CC1 ZINC000228734432 385169785 /nfs/dbraw/zinc/16/97/85/385169785.db2.gz XXTYNOXAMOSVBD-UHFFFAOYSA-N 2 0 214.353 1.223 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@H]1CCC[C@H]1[NH3+] ZINC000422721407 385201187 /nfs/dbraw/zinc/20/11/87/385201187.db2.gz VHVQBAKZFMANTR-TUAOUCFPSA-N 2 0 213.369 1.186 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CCSC(C)C ZINC000308808885 385177525 /nfs/dbraw/zinc/17/75/25/385177525.db2.gz NBGASVCLDSETAK-NSHDSACASA-N 2 0 234.409 1.472 20 0 BDADRP C[C@@H](CCC[NH3+])NC(=O)CCC1CC[NH2+]CC1 ZINC000647064566 385210034 /nfs/dbraw/zinc/21/00/34/385210034.db2.gz BAEIFOMMCMVXJW-NSHDSACASA-N 2 0 241.379 1.010 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@H]1CCC[NH+]1C ZINC000252712655 385210166 /nfs/dbraw/zinc/21/01/66/385210166.db2.gz MZQCBTLRXTZREW-JHJVBQTASA-N 2 0 225.380 1.010 20 0 BDADRP Cc1ccccc1[C@@H]([NH3+])C(=O)N[C@H](C)CCC[NH3+] ZINC000647064751 385210848 /nfs/dbraw/zinc/21/08/48/385210848.db2.gz XDUBEHLEZFJGEU-DGCLKSJQSA-N 2 0 249.358 1.238 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C[NH2+]CC2CC2)cc1 ZINC000178227512 385210851 /nfs/dbraw/zinc/21/08/51/385210851.db2.gz YNRPUPYDKHBIJD-SNVBAGLBSA-N 2 0 247.342 1.644 20 0 BDADRP CC(C)[C@@H](CO)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000308850115 385210951 /nfs/dbraw/zinc/21/09/51/385210951.db2.gz NXWSYUHWDHIVPG-VXGBXAGGSA-N 2 0 214.353 1.077 20 0 BDADRP CC[C@H]([NH3+])CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000647069311 385215888 /nfs/dbraw/zinc/21/58/88/385215888.db2.gz NYXLFYSIXYBZGC-ZDUSSCGKSA-N 2 0 249.358 1.215 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)CC[NH+](C)C ZINC000308860083 385221502 /nfs/dbraw/zinc/22/15/02/385221502.db2.gz PBPJJBWTVOEANP-NEPJUHHUSA-N 3 0 215.385 1.434 20 0 BDADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000647076332 385233849 /nfs/dbraw/zinc/23/38/49/385233849.db2.gz ZKIVUGSNIMPRNC-ZANVPECISA-N 2 0 245.326 1.226 20 0 BDADRP COC[C@H](C)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482554 385205197 /nfs/dbraw/zinc/20/51/97/385205197.db2.gz PCXBGTYFUSXCHP-LLVKDONJSA-N 2 0 226.364 1.485 20 0 BDADRP Cc1cncc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000299894900 385267399 /nfs/dbraw/zinc/26/73/99/385267399.db2.gz BVKWSKHIMZGGMB-WCQYABFASA-N 2 0 219.332 1.559 20 0 BDADRP CC(C)n1nccc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000280195920 385273879 /nfs/dbraw/zinc/27/38/79/385273879.db2.gz HKKQFBIZOHQIRX-UHFFFAOYSA-N 2 0 248.374 1.816 20 0 BDADRP Cc1nccn1CC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000559983044 385275832 /nfs/dbraw/zinc/27/58/32/385275832.db2.gz ADMFGSCTYPHCQX-AVGNSLFASA-N 2 0 249.358 1.595 20 0 BDADRP [NH3+]C1(c2noc(CC[C@@H]3CCC[NH2+]3)n2)CCC1 ZINC000647140929 385278123 /nfs/dbraw/zinc/27/81/23/385278123.db2.gz CWDYPHIHTWMOSO-VIFPVBQESA-N 2 0 236.319 1.092 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@@H]1c1nc(C[C@H](C)[NH2+]C)no1 ZINC000647142745 385295318 /nfs/dbraw/zinc/29/53/18/385295318.db2.gz BRIYTYGVPONFTE-GUBZILKMSA-N 2 0 238.335 1.076 20 0 BDADRP C[NH2+]CC1CC[NH+](Cc2n[nH]cc2C)CC1 ZINC000647494287 385335894 /nfs/dbraw/zinc/33/58/94/385335894.db2.gz UNJUKGHGTJAZCI-UHFFFAOYSA-N 2 0 222.336 1.150 20 0 BDADRP C[NH2+]Cc1ccccc1NC(=O)CC(C)(C)[NH3+] ZINC000647655243 385345266 /nfs/dbraw/zinc/34/52/66/385345266.db2.gz RHXPXRYNWQPPBB-UHFFFAOYSA-N 2 0 235.331 1.472 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CC1(CO)CCCC1 ZINC000309023576 385366912 /nfs/dbraw/zinc/36/69/12/385366912.db2.gz WMMAZEQRWBMNQO-NSHDSACASA-N 2 0 214.353 1.256 20 0 BDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCOCc1ccccc1 ZINC000405237790 385391018 /nfs/dbraw/zinc/39/10/18/385391018.db2.gz URADVVMSVBHESR-KBPBESRZSA-N 2 0 248.370 1.919 20 0 BDADRP Cc1cncc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000299931320 385324815 /nfs/dbraw/zinc/32/48/15/385324815.db2.gz CDBBWFNSSBSNCQ-GXTWGEPZSA-N 2 0 233.359 1.807 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCOCc1ccccc1 ZINC000405237792 385391681 /nfs/dbraw/zinc/39/16/81/385391681.db2.gz URADVVMSVBHESR-KGLIPLIRSA-N 2 0 248.370 1.919 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC000405249347 385399156 /nfs/dbraw/zinc/39/91/56/385399156.db2.gz IZBUJABJPKLUGP-TUAOUCFPSA-N 2 0 226.364 1.661 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000405249348 385399840 /nfs/dbraw/zinc/39/98/40/385399840.db2.gz IZBUJABJPKLUGP-UTUOFQBUSA-N 2 0 226.364 1.661 20 0 BDADRP Cc1ccc([C@H](CNC(=O)[C@H](C)[NH3+])[NH+](C)C)cc1 ZINC000165625360 385404472 /nfs/dbraw/zinc/40/44/72/385404472.db2.gz SETDXFRYBQXMMR-AAEUAGOBSA-N 2 0 249.358 1.061 20 0 BDADRP C[N@H+](CCC[NH3+])Cc1ccccc1-n1cncn1 ZINC000647497235 385406331 /nfs/dbraw/zinc/40/63/31/385406331.db2.gz ARFBXXMMDNQPCN-UHFFFAOYSA-N 2 0 245.330 1.048 20 0 BDADRP CC[C@H]1CN(CC[NH2+]C(C)(C)C)CC[C@@H]1[NH3+] ZINC000647497836 385408572 /nfs/dbraw/zinc/40/85/72/385408572.db2.gz WYYNXAKOLKMDLY-RYUDHWBXSA-N 2 0 227.396 1.434 20 0 BDADRP Fc1ccc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000364441896 385444930 /nfs/dbraw/zinc/44/49/30/385444930.db2.gz GOQKCHLADPWMIB-QWHCGFSZSA-N 2 0 249.333 1.937 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)O1 ZINC000405287714 385448661 /nfs/dbraw/zinc/44/86/61/385448661.db2.gz HIORGWXNWOFIDT-DBIOUOCHSA-N 2 0 212.337 1.269 20 0 BDADRP CC[C@@H](C)[N@H+](C)CCN[C@@H](C)c1nccn1C ZINC000182774299 385475965 /nfs/dbraw/zinc/47/59/65/385475965.db2.gz IMRPIKAOHYZMMH-NEPJUHHUSA-N 2 0 238.379 1.801 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@@H](C)c1nccn1C ZINC000182774314 385476043 /nfs/dbraw/zinc/47/60/43/385476043.db2.gz IMRPIKAOHYZMMH-RYUDHWBXSA-N 2 0 238.379 1.801 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000183278289 385515480 /nfs/dbraw/zinc/51/54/80/385515480.db2.gz RJEBIOWCSMYDON-QWHCGFSZSA-N 2 0 228.380 1.875 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@@](C)(CC)OC)C1 ZINC000319097774 385543672 /nfs/dbraw/zinc/54/36/72/385543672.db2.gz WAQQDGXQDHINTG-QWHCGFSZSA-N 2 0 228.380 1.733 20 0 BDADRP FCCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000336680071 385626188 /nfs/dbraw/zinc/62/61/88/385626188.db2.gz IUDCCRMJPNSTKJ-NWDGAFQWSA-N 2 0 214.328 1.953 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCc1ccncc1 ZINC000336651764 385634426 /nfs/dbraw/zinc/63/44/26/385634426.db2.gz IBGFBVSXFPJOPO-GFCCVEGCSA-N 2 0 221.348 1.731 20 0 BDADRP CCOC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414848327 385612931 /nfs/dbraw/zinc/61/29/31/385612931.db2.gz GNRNRJKOQLVXAH-SDDRHHMPSA-N 2 0 214.353 1.389 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]C1Cc2ccccc2C1 ZINC000336682036 385639889 /nfs/dbraw/zinc/63/98/89/385639889.db2.gz YKTAWCQYZGUZAG-NSHDSACASA-N 2 0 218.344 1.871 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000336734589 385664024 /nfs/dbraw/zinc/66/40/24/385664024.db2.gz KWFXWXMJGSRBQV-UPJWGTAASA-N 2 0 228.380 1.610 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCCCF ZINC000336684388 385672397 /nfs/dbraw/zinc/67/23/97/385672397.db2.gz JYCNMLCZLYNURH-MNOVXSKESA-N 2 0 202.317 1.843 20 0 BDADRP CC(C)[C@@H](O)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000336685124 385686102 /nfs/dbraw/zinc/68/61/02/385686102.db2.gz KKAZYEOPQVLSNQ-QWRGUYRKSA-N 2 0 202.342 1.110 20 0 BDADRP C[NH2+]C[C@H](C)CN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000414855123 385699131 /nfs/dbraw/zinc/69/91/31/385699131.db2.gz WHEALRPBFKISBH-BFHYXJOUSA-N 2 0 241.423 1.742 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC000336687580 385704917 /nfs/dbraw/zinc/70/49/17/385704917.db2.gz GMWBTHSRNICHHQ-MNOVXSKESA-N 2 0 243.395 1.397 20 0 BDADRP CC(C)C[C@H](CN)[NH2+][C@H]1CCCOCC1 ZINC000414856382 385712561 /nfs/dbraw/zinc/71/25/61/385712561.db2.gz YUBLRZDLUMHGAW-NWDGAFQWSA-N 2 0 214.353 1.519 20 0 BDADRP C[N@H+](CCCCCO)C[C@]1(C)CC[NH2+]C1 ZINC000336691931 385728802 /nfs/dbraw/zinc/72/88/02/385728802.db2.gz KVPIGWSDNAXDBR-GFCCVEGCSA-N 2 0 214.353 1.080 20 0 BDADRP C[NH2+]CCC[NH2+][C@H](C)CCC(F)(F)F ZINC000414858794 385737130 /nfs/dbraw/zinc/73/71/30/385737130.db2.gz LLSXQIKWVPYPHY-MRVPVSSYSA-N 2 0 212.259 1.917 20 0 BDADRP CCN(CC[NH2+]CC[C@H]1CCOC1)C(C)C ZINC000309651487 385770506 /nfs/dbraw/zinc/77/05/06/385770506.db2.gz OGCLQZLSFAKUDL-ZDUSSCGKSA-N 2 0 228.380 1.733 20 0 BDADRP C[C@@H](C[NH3+])N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000414944354 385777545 /nfs/dbraw/zinc/77/75/45/385777545.db2.gz NSMTXEWTVCRCMK-VNHYZAJKSA-N 2 0 247.386 1.444 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CC1(O)CCCCC1 ZINC000336709779 385798053 /nfs/dbraw/zinc/79/80/53/385798053.db2.gz SUXWQFGQBADVCG-NSHDSACASA-N 2 0 214.353 1.399 20 0 BDADRP CCCC[C@H](COC)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000414945410 385799319 /nfs/dbraw/zinc/79/93/19/385799319.db2.gz RLOWHUKRHRQPFP-YNEHKIRRSA-N 2 0 228.380 1.779 20 0 BDADRP COC[C@]1(C[NH2+]CC(C)(C)C)CCC[NH2+]1 ZINC000414948068 385804765 /nfs/dbraw/zinc/80/47/65/385804765.db2.gz WQMZBXHACYVGQJ-GFCCVEGCSA-N 2 0 214.353 1.391 20 0 BDADRP CCC[NH2+]CCNCc1cccc(COC)c1 ZINC000414867714 385807253 /nfs/dbraw/zinc/80/72/53/385807253.db2.gz IPKMTRZYTYUXOS-UHFFFAOYSA-N 2 0 236.359 1.922 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H](C)CC(F)F ZINC000647800834 385809179 /nfs/dbraw/zinc/80/91/79/385809179.db2.gz LFPJOTNNNVFPHG-ZJUUUORDSA-N 2 0 238.322 1.621 20 0 BDADRP CCOCC[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397307856 385816582 /nfs/dbraw/zinc/81/65/82/385816582.db2.gz HTLFHJKDZMOTFV-UTUOFQBUSA-N 2 0 214.353 1.328 20 0 BDADRP CSC1(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000336716671 385817101 /nfs/dbraw/zinc/81/71/01/385817101.db2.gz XLCNSDRFGMZOEO-WDEREUQCSA-N 2 0 228.405 1.812 20 0 BDADRP COc1ccsc1C[NH2+]C[C@@H](C)C[NH3+] ZINC000414869120 385832056 /nfs/dbraw/zinc/83/20/56/385832056.db2.gz ADPGUSBDKSPMGA-QMMMGPOBSA-N 2 0 214.334 1.441 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+]C2CCC(O)CC2)cc1 ZINC000647803284 385839027 /nfs/dbraw/zinc/83/90/27/385839027.db2.gz RJPUQNGGDRDJAO-UHFFFAOYSA-N 2 0 234.343 1.538 20 0 BDADRP C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000647804447 385840329 /nfs/dbraw/zinc/84/03/29/385840329.db2.gz QUPINFOYENDECL-AATLWQCWSA-N 2 0 200.351 1.350 20 0 BDADRP C[C@H]([NH2+][C@H]1CCS[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000647804536 385840828 /nfs/dbraw/zinc/84/08/28/385840828.db2.gz TUILWTYLTGPIMF-MMWGEVLESA-N 2 0 214.378 1.611 20 0 BDADRP CC[NH2+][C@H](C)CNCc1cnc(N(C)C)s1 ZINC000414955166 385841705 /nfs/dbraw/zinc/84/17/05/385841705.db2.gz LOFLJCUMHHKFSW-SECBINFHSA-N 2 0 242.392 1.297 20 0 BDADRP CN1CCC([N@H+](CCO)CCC(C)(C)C)CC1 ZINC000112697952 385843066 /nfs/dbraw/zinc/84/30/66/385843066.db2.gz GTZOJLUJRFHTJE-UHFFFAOYSA-N 2 0 242.407 1.811 20 0 BDADRP C[C@@H](C(=O)NC(C)(C)C[NH3+])[C@@H]([NH3+])c1ccccc1 ZINC000262499624 385852934 /nfs/dbraw/zinc/85/29/34/385852934.db2.gz GECCTSBMHBXJJA-ZYHUDNBSSA-N 2 0 249.358 1.176 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647797841 385790592 /nfs/dbraw/zinc/79/05/92/385790592.db2.gz DQSBXICYQMQXIL-XVIXHAIJSA-N 2 0 238.375 1.532 20 0 BDADRP C1[NH2+]C[C@@H]2C[C@H]([NH2+][C@H]3CCCOC3)CC[C@@H]12 ZINC000647798154 385791943 /nfs/dbraw/zinc/79/19/43/385791943.db2.gz MOVFYQAHRIOBOL-RVMXOQNASA-N 2 0 224.348 1.143 20 0 BDADRP C[C@H](F)CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647798243 385794400 /nfs/dbraw/zinc/79/44/00/385794400.db2.gz NNEMGWJDQKWUIR-IRCOFANPSA-N 2 0 214.328 1.712 20 0 BDADRP Cc1ccc(CCC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cn1 ZINC000414946347 385797646 /nfs/dbraw/zinc/79/76/46/385797646.db2.gz TVKDOWBRXDIPJN-SWLSCSKDSA-N 2 0 247.386 1.910 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1NCc1ccccc1N(C)C ZINC000414961762 385888537 /nfs/dbraw/zinc/88/85/37/385888537.db2.gz WDLQTLSSGDMEMJ-GXTWGEPZSA-N 2 0 247.386 1.983 20 0 BDADRP CC(=O)Nc1cccc(C[N@H+](C)CCC[NH3+])c1 ZINC000647848106 385899345 /nfs/dbraw/zinc/89/93/45/385899345.db2.gz DQQKDPWJIUCWEQ-UHFFFAOYSA-N 2 0 235.331 1.426 20 0 BDADRP COC1(C[NH2+][C@H](C)CCC[NH3+])CCCC1 ZINC000308904140 385909611 /nfs/dbraw/zinc/90/96/11/385909611.db2.gz CZENBCBLBOGIPF-LLVKDONJSA-N 2 0 214.353 1.663 20 0 BDADRP CC[NH2+][C@H](C)CNCc1cccnc1C ZINC000414966947 385923392 /nfs/dbraw/zinc/92/33/92/385923392.db2.gz WZISJMMKTXMYLX-SNVBAGLBSA-N 2 0 207.321 1.478 20 0 BDADRP [NH3+]CC[C@H]1CCC[N@H+](C[C@H]2CCCOC2)C1 ZINC000250981856 385930142 /nfs/dbraw/zinc/93/01/42/385930142.db2.gz BKWLRIQURNHCRH-CHWSQXEVSA-N 2 0 226.364 1.474 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@H]3CCC[NH2+]C3)C[C@H]21 ZINC000342098411 385926355 /nfs/dbraw/zinc/92/63/55/385926355.db2.gz IHDKJKQWHYEEPL-REWJHTLYSA-N 3 0 237.391 1.045 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000262575471 385861768 /nfs/dbraw/zinc/86/17/68/385861768.db2.gz JDYUJGKJNTURTQ-GXTWGEPZSA-N 2 0 249.358 1.320 20 0 BDADRP Cc1ccc2ncc(CNCC3([NH3+])CCC3)n2c1 ZINC000414871992 385862259 /nfs/dbraw/zinc/86/22/59/385862259.db2.gz DVRGICMEPSUMOI-UHFFFAOYSA-N 2 0 244.342 1.614 20 0 BDADRP [NH3+][C@H]1CCCN(CCCC2CC[NH2+]CC2)C1 ZINC000647814502 385868237 /nfs/dbraw/zinc/86/82/37/385868237.db2.gz QVKJFKOUHOARHJ-ZDUSSCGKSA-N 2 0 225.380 1.189 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC000647827194 385877033 /nfs/dbraw/zinc/87/70/33/385877033.db2.gz VRZCSGFFYLMHKL-STQMWFEESA-N 2 0 226.364 1.616 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](CCCc2ccncc2)C1 ZINC000647830268 385879458 /nfs/dbraw/zinc/87/94/58/385879458.db2.gz FHXHGTSXWNMGJJ-CYBMUJFWSA-N 2 0 219.332 1.295 20 0 BDADRP CO[C@@H](C[N@H+](C)CCCn1ccnc1)C1CC1 ZINC000425413448 385980269 /nfs/dbraw/zinc/98/02/69/385980269.db2.gz BGFGNRQTNKSDGJ-ZDUSSCGKSA-N 2 0 237.347 1.630 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[NH2+]C[C@@H]2C)cc1 ZINC000335020738 385981170 /nfs/dbraw/zinc/98/11/70/385981170.db2.gz PGXYVPTULUEKIJ-WDEREUQCSA-N 2 0 247.342 1.140 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)[C@H]1C[C@H]1C ZINC000414132657 385981465 /nfs/dbraw/zinc/98/14/65/385981465.db2.gz ZLSCLIZMKCBZGG-DYEKYZERSA-N 2 0 240.391 1.325 20 0 BDADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000335039233 385931408 /nfs/dbraw/zinc/93/14/08/385931408.db2.gz AZTOYETYAUMFFJ-KGLIPLIRSA-N 3 0 237.391 1.498 20 0 BDADRP C[C@H](C[NH3+])CN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000414878166 385934423 /nfs/dbraw/zinc/93/44/23/385934423.db2.gz NXTQKIURUHKRDL-FRRDWIJNSA-N 2 0 227.396 1.482 20 0 BDADRP Cc1ccc(CCC[NH2+]C[C@H](C)C[NH3+])cn1 ZINC000414878633 385935067 /nfs/dbraw/zinc/93/50/67/385935067.db2.gz OMWIILVXJAEVQX-LLVKDONJSA-N 2 0 221.348 1.507 20 0 BDADRP Cc1cccc2ncc(C[NH2+]C[C@@H](C)C[NH3+])n21 ZINC000414878991 385942409 /nfs/dbraw/zinc/94/24/09/385942409.db2.gz OSVDZVYJGDMCQA-JTQLQIEISA-N 2 0 232.331 1.327 20 0 BDADRP CC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000335053675 385953761 /nfs/dbraw/zinc/95/37/61/385953761.db2.gz ZPOKPGKYOGWIPM-JSGCOSHPSA-N 2 0 232.327 1.852 20 0 BDADRP C[C@@]1(C[NH2+]CCC[C@@H]2CCC[NH2+]2)CC[NH2+]C1 ZINC000414970616 385964200 /nfs/dbraw/zinc/96/42/00/385964200.db2.gz VLWPJFDSSYEPGW-OLZOCXBDSA-N 3 0 225.380 1.108 20 0 BDADRP Cc1ccc(NC(=O)[C@H](C)C[NH3+])c(C[NH+](C)C)c1 ZINC000285793996 385964934 /nfs/dbraw/zinc/96/49/34/385964934.db2.gz PEFWRDCTZGJNPF-LLVKDONJSA-N 2 0 249.358 1.590 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CC2([NH3+])CCCCC2)CCO1 ZINC000335012506 385968368 /nfs/dbraw/zinc/96/83/68/385968368.db2.gz ZFOFOYPWZWACOM-RYUDHWBXSA-N 2 0 226.364 1.805 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@]1(C)CCO[C@H]1C ZINC000336751880 386012618 /nfs/dbraw/zinc/01/26/18/386012618.db2.gz DBAUHVQSBYTUNB-STQMWFEESA-N 2 0 228.380 1.875 20 0 BDADRP C[C@H]([NH2+][C@@H]1CN(C)C[C@@H]1C)c1cn[nH]c1 ZINC000336770366 386013028 /nfs/dbraw/zinc/01/30/28/386013028.db2.gz WPGQMBHASSQSOA-ATZCPNFKSA-N 2 0 208.309 1.010 20 0 BDADRP CCCC[C@@H](COC)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414882579 386018406 /nfs/dbraw/zinc/01/84/06/386018406.db2.gz BXOWSJFZLRDPKT-RYUDHWBXSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)[C@@H]1CCCO1 ZINC000414176991 386020025 /nfs/dbraw/zinc/02/00/25/386020025.db2.gz IQLNSFNCARFFNK-MJBXVCDLSA-N 2 0 240.391 1.875 20 0 BDADRP CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000414178279 386021097 /nfs/dbraw/zinc/02/10/97/386021097.db2.gz JEIPNKXHTUSMEC-QWRGUYRKSA-N 2 0 233.315 1.847 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)CO1 ZINC000401881350 386021689 /nfs/dbraw/zinc/02/16/89/386021689.db2.gz IDSQHTUEZUIYPT-CMPLNLGQSA-N 2 0 212.337 1.095 20 0 BDADRP [NH3+][C@H]1CCN(CCCCC(F)(F)F)C1 ZINC000124391336 386029578 /nfs/dbraw/zinc/02/95/78/386029578.db2.gz WRXDVZMAPQNQKQ-QMMMGPOBSA-N 2 0 210.243 1.752 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1NCC1([NH3+])CCCCCC1 ZINC000335061909 386030115 /nfs/dbraw/zinc/03/01/15/386030115.db2.gz ZLEQOIOTNAZYFG-CHWSQXEVSA-N 2 0 239.407 1.626 20 0 BDADRP CC[C@@H](COC)[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000414977113 386030579 /nfs/dbraw/zinc/03/05/79/386030579.db2.gz QNJZMEAAQCXPGS-LBPRGKRZSA-N 2 0 244.379 1.017 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000414201742 386038098 /nfs/dbraw/zinc/03/80/98/386038098.db2.gz YLNHWPIRVSFHAH-YNEHKIRRSA-N 2 0 228.380 1.731 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C1CCC(O)CC1 ZINC000335074238 386040097 /nfs/dbraw/zinc/04/00/97/386040097.db2.gz BJOUYRVFRXBHRS-KIDURHIOSA-N 2 0 212.337 1.149 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+]C[C@@H](C)CC1CCOCC1 ZINC000414980459 386051971 /nfs/dbraw/zinc/05/19/71/386051971.db2.gz PLJPTFJHTWFXHZ-WCQYABFASA-N 2 0 228.380 1.766 20 0 BDADRP CC(C)c1ncc(C[NH2+]C[C@@H](C)C[NH3+])s1 ZINC000414885718 386057736 /nfs/dbraw/zinc/05/77/36/386057736.db2.gz XHCYXDWYOZGEAK-VIFPVBQESA-N 2 0 227.377 1.951 20 0 BDADRP CCC[C@H]1C[NH2+]CCN1CC[NH2+]C(C)(C)C ZINC000414663871 386104755 /nfs/dbraw/zinc/10/47/55/386104755.db2.gz SAQFWLZOQPFOFN-LBPRGKRZSA-N 2 0 227.396 1.448 20 0 BDADRP CC(C)[N@H+](C)CCNC(=O)C1([NH3+])CCCCC1 ZINC000054133536 386109988 /nfs/dbraw/zinc/10/99/88/386109988.db2.gz IHDZHVKVRMFEIA-UHFFFAOYSA-N 2 0 241.379 1.104 20 0 BDADRP CCCN(CC[NH2+]C(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000414668281 386117506 /nfs/dbraw/zinc/11/75/06/386117506.db2.gz IMTZHFVUMKCJBX-LBPRGKRZSA-N 2 0 227.396 1.448 20 0 BDADRP COC[C@@H](CC(C)C)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414889970 386118727 /nfs/dbraw/zinc/11/87/27/386118727.db2.gz MANGWRMWVYVWDR-VXGBXAGGSA-N 2 0 214.353 1.374 20 0 BDADRP C[C@H]1C[C@@H](C[N@H+](CCO)C2CCCC2)CC[NH2+]1 ZINC000414667171 386121078 /nfs/dbraw/zinc/12/10/78/386121078.db2.gz HAUDWLLSKQLXGV-STQMWFEESA-N 2 0 240.391 1.611 20 0 BDADRP C[C@@H](N)[C@H]1CCCC[N@@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414648769 386064792 /nfs/dbraw/zinc/06/47/92/386064792.db2.gz BKOGQHNLHCOEAR-AAVRWANBSA-N 2 0 239.407 1.576 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000365384067 386072142 /nfs/dbraw/zinc/07/21/42/386072142.db2.gz JNAJBRNAHHZNOH-UONOGXRCSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000414652642 386074591 /nfs/dbraw/zinc/07/45/91/386074591.db2.gz DPMOHGRPLCJGSO-YPMHNXCESA-N 2 0 225.380 1.186 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000414652639 386076351 /nfs/dbraw/zinc/07/63/51/386076351.db2.gz DPMOHGRPLCJGSO-DGCLKSJQSA-N 2 0 225.380 1.186 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1C[C@H](C[NH3+])C[C@@H]1C ZINC000414655161 386078902 /nfs/dbraw/zinc/07/89/02/386078902.db2.gz DAVZDRWZKHSCME-SRVKXCTJSA-N 2 0 213.369 1.029 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN(C)C1CC[NH2+]CC1 ZINC000414656053 386081834 /nfs/dbraw/zinc/08/18/34/386081834.db2.gz MFXBKGLDVCKXOU-LLVKDONJSA-N 2 0 213.369 1.044 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@H](C)C[C@@H](C)O)CC1 ZINC000164595678 386084734 /nfs/dbraw/zinc/08/47/34/386084734.db2.gz MIOVFERPSURECM-VXGBXAGGSA-N 2 0 228.380 1.608 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)C1CCOCC1 ZINC000336738502 386086478 /nfs/dbraw/zinc/08/64/78/386086478.db2.gz KGHHJQLNRIHQPB-VXGBXAGGSA-N 2 0 228.380 1.731 20 0 BDADRP C[NH+](C)CCC[NH2+]C1CC(n2cccn2)C1 ZINC000638290138 386123419 /nfs/dbraw/zinc/12/34/19/386123419.db2.gz ZXZIOKYOEXSMES-UHFFFAOYSA-N 2 0 222.336 1.128 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CCC[N@@H+](C(C)C)CC1 ZINC000414673123 386145291 /nfs/dbraw/zinc/14/52/91/386145291.db2.gz QGWBTOBZUWGISJ-CQSZACIVSA-N 2 0 241.423 1.776 20 0 BDADRP C[NH2+]CC1CCN(CC[NH2+]C(C)(C)C)CC1 ZINC000414674274 386148195 /nfs/dbraw/zinc/14/81/95/386148195.db2.gz PWVHNHPVKYPECY-UHFFFAOYSA-N 2 0 227.396 1.306 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+][C@H]2CC[NH2+]C2)CCO1 ZINC000414892760 386154689 /nfs/dbraw/zinc/15/46/89/386154689.db2.gz YIGZYLQZMDPUTK-GRYCIOLGSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H](C[NH2+]C[C@H]([NH3+])C1CC1)CC1CCOCC1 ZINC000414893611 386160928 /nfs/dbraw/zinc/16/09/28/386160928.db2.gz RTHDGGBVCLHPBI-RISCZKNCSA-N 2 0 240.391 1.766 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCCC[C@@H]1CC(N)=O ZINC000414683106 386166049 /nfs/dbraw/zinc/16/60/49/386166049.db2.gz AQASNPJCKSUANA-VXGBXAGGSA-N 2 0 241.379 1.090 20 0 BDADRP Cc1nn(C)cc1C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414995800 386179422 /nfs/dbraw/zinc/17/94/22/386179422.db2.gz NXOKVBYOGQAQTB-DGCLKSJQSA-N 2 0 236.363 1.336 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](C[NH+](C)C)C2)CC[NH2+]1 ZINC000414690636 386184909 /nfs/dbraw/zinc/18/49/09/386184909.db2.gz HXCQMDMVCHNOOU-MGPQQGTHSA-N 2 0 239.407 1.258 20 0 BDADRP CC[C@@H](F)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000440764931 386139373 /nfs/dbraw/zinc/13/93/73/386139373.db2.gz NNHJVBPGQZMMNN-CYBMUJFWSA-N 2 0 245.386 1.304 20 0 BDADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@]1(C)CCCO1 ZINC000340530974 386143516 /nfs/dbraw/zinc/14/35/16/386143516.db2.gz INNJTWRUIOLIJQ-JSGCOSHPSA-N 2 0 238.375 1.796 20 0 BDADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccnn1C ZINC000235207984 386144063 /nfs/dbraw/zinc/14/40/63/386144063.db2.gz YPKUPQPDHNLVPR-LLVKDONJSA-N 2 0 224.352 1.413 20 0 BDADRP CCO[C@@H]1C[C@H]([N@H+](C)CCC[NH3+])C1(C)C ZINC000414697225 386202518 /nfs/dbraw/zinc/20/25/18/386202518.db2.gz IGYCNKWIUHCCRJ-WDEREUQCSA-N 2 0 214.353 1.471 20 0 BDADRP Cc1cnc(CC[N@H+](C)CCC[NH3+])s1 ZINC000414701469 386205454 /nfs/dbraw/zinc/20/54/54/386205454.db2.gz HIPZUROTVBAKIA-UHFFFAOYSA-N 2 0 213.350 1.275 20 0 BDADRP COc1ccsc1C[NH2+]CCCC[NH3+] ZINC000414896810 386206241 /nfs/dbraw/zinc/20/62/41/386206241.db2.gz ABNSVLJYMJFSRH-UHFFFAOYSA-N 2 0 214.334 1.585 20 0 BDADRP C[NH+](C)CCN1CCC([NH2+]CC2(F)CC2)CC1 ZINC000525981863 386209850 /nfs/dbraw/zinc/20/98/50/386209850.db2.gz ANCPLOKEQTXJJM-UHFFFAOYSA-N 2 0 243.370 1.104 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@]3(CCOC3)C2)CC[NH2+]1 ZINC000414702664 386210808 /nfs/dbraw/zinc/21/08/08/386210808.db2.gz JASBLHQZABFZLO-MCIONIFRSA-N 2 0 238.375 1.487 20 0 BDADRP CCn1nccc1C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414999684 386212921 /nfs/dbraw/zinc/21/29/21/386212921.db2.gz SCEWHUVJFQOFLW-VXGBXAGGSA-N 2 0 236.363 1.510 20 0 BDADRP C[N@H+](C[C@H]1CC[NH2+]C1)C1Cc2ccccc2C1 ZINC000647881636 386213175 /nfs/dbraw/zinc/21/31/75/386213175.db2.gz XNDCZTMOHWKTMJ-LBPRGKRZSA-N 2 0 230.355 1.695 20 0 BDADRP [NH3+]CCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000414704151 386213900 /nfs/dbraw/zinc/21/39/00/386213900.db2.gz JKJIFXOMVPDFIQ-JSGCOSHPSA-N 2 0 237.391 1.284 20 0 BDADRP [NH3+][C@H]1C[C@@H](NCCn2ccnc2)c2ccccc21 ZINC000132045826 386219313 /nfs/dbraw/zinc/21/93/13/386219313.db2.gz RXJQXGXXNHKQFH-UONOGXRCSA-N 3 0 242.326 1.618 20 0 BDADRP C[C@H]1C[C@H](C[NH2+]C(C)(C)CCO)CC[NH2+]1 ZINC000414706368 386220731 /nfs/dbraw/zinc/22/07/31/386220731.db2.gz LRIDDNWPFGAJDA-WDEREUQCSA-N 2 0 214.353 1.125 20 0 BDADRP COCC(C)(C)C[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000415001703 386231646 /nfs/dbraw/zinc/23/16/46/386231646.db2.gz LFCSATHGFCMPLS-RYUDHWBXSA-N 2 0 228.380 1.766 20 0 BDADRP CCOCC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125254942 386238168 /nfs/dbraw/zinc/23/81/68/386238168.db2.gz DPBFKFOMSOCFDY-TUAOUCFPSA-N 2 0 212.337 1.082 20 0 BDADRP CN(CC[NH2+]C(C)(C)C)C[C@@H]1CCC[N@H+](C)C1 ZINC000414717454 386238535 /nfs/dbraw/zinc/23/85/35/386238535.db2.gz ZLMMUZUVFGPIFE-CYBMUJFWSA-N 2 0 241.423 1.648 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+](C)Cc2ccon2)CC[NH2+]1 ZINC000414717196 386240814 /nfs/dbraw/zinc/24/08/14/386240814.db2.gz XVPCDMSEZGUSQJ-GHMZBOCLSA-N 2 0 223.320 1.495 20 0 BDADRP C[C@@H]1C[C@@H](C[N@H+](C)Cc2ccon2)CC[NH2+]1 ZINC000414717198 386241367 /nfs/dbraw/zinc/24/13/67/386241367.db2.gz XVPCDMSEZGUSQJ-MNOVXSKESA-N 2 0 223.320 1.495 20 0 BDADRP CC(C)(C)[NH2+]CC[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000415002365 386243700 /nfs/dbraw/zinc/24/37/00/386243700.db2.gz MDJXCVSCSXJZLK-RYUDHWBXSA-N 3 0 227.396 1.482 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCCO2)C1 ZINC000336645577 386250990 /nfs/dbraw/zinc/25/09/90/386250990.db2.gz IEBHWVHKIMWCST-NWDGAFQWSA-N 2 0 212.337 1.049 20 0 BDADRP C[C@H](CC[NH3+])[NH2+]Cc1ccnn1-c1ccccc1 ZINC000414900598 386280347 /nfs/dbraw/zinc/28/03/47/386280347.db2.gz WDBAQAIYAZXEGS-GFCCVEGCSA-N 2 0 244.342 1.699 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN(C)CCC[NH+]1CCCC1 ZINC000414732595 386286963 /nfs/dbraw/zinc/28/69/63/386286963.db2.gz CUAYXWAYKPATDQ-CQSZACIVSA-N 2 0 241.423 1.778 20 0 BDADRP c1cc([C@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]C2)ccn1 ZINC000647987990 386293759 /nfs/dbraw/zinc/29/37/59/386293759.db2.gz BRAQWEUERNQMIT-TZMCWYRMSA-N 2 0 231.343 1.828 20 0 BDADRP CCO[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CC[NH2+]C2)C1(C)C ZINC000647886672 386299614 /nfs/dbraw/zinc/29/96/14/386299614.db2.gz HDTOPBWGMPDFNO-YNEHKIRRSA-N 2 0 240.391 1.731 20 0 BDADRP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@H](CO)[C@H]1C ZINC000414738412 386319315 /nfs/dbraw/zinc/31/93/15/386319315.db2.gz JGWWZKPYOMLYQV-UTUOFQBUSA-N 2 0 214.353 1.063 20 0 BDADRP CC[NH+](CC)[C@H](C(=O)NCC[NH3+])c1ccccc1 ZINC000236865411 386319558 /nfs/dbraw/zinc/31/95/58/386319558.db2.gz AUNJRAZYISMCCQ-ZDUSSCGKSA-N 2 0 249.358 1.144 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@H](C)N(C)C[C@H]2C)CC[NH2+]1 ZINC000414740954 386320964 /nfs/dbraw/zinc/32/09/64/386320964.db2.gz LYJQWQGZZFUPOG-XJFOESAGSA-N 2 0 239.407 1.399 20 0 BDADRP C[C@@H](c1cccc(O)c1)[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000647884685 386264734 /nfs/dbraw/zinc/26/47/34/386264734.db2.gz WXLFYJPEBSIYHQ-NWDGAFQWSA-N 2 0 234.343 1.995 20 0 BDADRP CCCN(C[C@@H]1CCC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000347178107 386269992 /nfs/dbraw/zinc/26/99/92/386269992.db2.gz SETMQKIPOBXYHN-OLZOCXBDSA-N 2 0 225.380 1.060 20 0 BDADRP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000414750899 386377898 /nfs/dbraw/zinc/37/78/98/386377898.db2.gz ZDDNRPZPXHNTBR-XDQVBPFNSA-N 2 0 242.407 1.841 20 0 BDADRP Cc1c[nH]nc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000414742907 386330367 /nfs/dbraw/zinc/33/03/67/386330367.db2.gz UQKVXOMJVGDKIO-NSHDSACASA-N 2 0 222.336 1.279 20 0 BDADRP COc1cccc2c1CC[C@@H]([NH2+][C@@H](C)CC[NH3+])C2 ZINC000414903377 386333448 /nfs/dbraw/zinc/33/34/48/386333448.db2.gz ZNSJHZJWIXPIIA-WCQYABFASA-N 2 0 248.370 1.879 20 0 BDADRP Cc1cc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)no1 ZINC000335275491 386336591 /nfs/dbraw/zinc/33/65/91/386336591.db2.gz BGGRZNQXYQXGIC-LLVKDONJSA-N 2 0 249.358 1.947 20 0 BDADRP C[NH2+]C[C@@](C)(O)C[N@H+](C)CC1CCCCC1 ZINC000519411365 386436819 /nfs/dbraw/zinc/43/68/19/386436819.db2.gz CHWPVKJNWTZWGO-CYBMUJFWSA-N 2 0 228.380 1.469 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC[NH2+]C1)[C@H]1CCCOC1 ZINC000647992190 386439372 /nfs/dbraw/zinc/43/93/72/386439372.db2.gz PANSEICPCUHBEN-TUAOUCFPSA-N 2 0 212.337 1.001 20 0 BDADRP Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647990745 386392722 /nfs/dbraw/zinc/39/27/22/386392722.db2.gz BTECKEBVLRDDJU-CHWSQXEVSA-N 2 0 248.374 1.773 20 0 BDADRP C[C@H]1CC2(C[N@@H+]1CCn1cccn1)CC[NH2+]CC2 ZINC000335279669 386393730 /nfs/dbraw/zinc/39/37/30/386393730.db2.gz JMIOCHPKYOLJHP-ZDUSSCGKSA-N 2 0 248.374 1.347 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000414754617 386397367 /nfs/dbraw/zinc/39/73/67/386397367.db2.gz GILNVYLFAJETRO-AGIUHOORSA-N 2 0 227.396 1.384 20 0 BDADRP CCC[C@@]1(CO)CCC[N@@H+]1C[C@@H]([NH3+])CC(C)C ZINC000414756514 386400394 /nfs/dbraw/zinc/40/03/94/386400394.db2.gz JXGDUYUMNZEIAX-KBPBESRZSA-N 2 0 242.407 1.987 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](OC)C(C)C)[C@H](C)C1 ZINC000347437028 386402414 /nfs/dbraw/zinc/40/24/14/386402414.db2.gz XDBAKSAUJIYMER-RDBSUJKOSA-N 2 0 242.407 1.977 20 0 BDADRP C[N@@H+]1CC[C@@H]2CCN(CC[NH2+]C(C)(C)C)[C@H]2C1 ZINC000414761327 386417561 /nfs/dbraw/zinc/41/75/61/386417561.db2.gz SQDYTPKJKJSUBW-OLZOCXBDSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)CC[NH2+]1 ZINC000414761944 386421275 /nfs/dbraw/zinc/42/12/75/386421275.db2.gz VCJJASVTVYFENC-XHJNMGKDSA-N 2 0 240.391 1.872 20 0 BDADRP COC[C@@H](C)C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000527361613 386423472 /nfs/dbraw/zinc/42/34/72/386423472.db2.gz SZQAMLFDKDRNOY-LBPRGKRZSA-N 2 0 240.391 1.875 20 0 BDADRP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CC1(O)CCC1 ZINC000336713551 386428922 /nfs/dbraw/zinc/42/89/22/386428922.db2.gz PUHPKFMATMKKQU-ZDUSSCGKSA-N 2 0 240.391 1.708 20 0 BDADRP C[N@H+](CCOCC1CC1)CCC1CC[NH2+]CC1 ZINC000094989931 386474473 /nfs/dbraw/zinc/47/44/73/386474473.db2.gz GAQBBMZGQRCVAI-UHFFFAOYSA-N 2 0 240.391 1.735 20 0 BDADRP Cc1ncsc1CC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000391204695 386481968 /nfs/dbraw/zinc/48/19/68/386481968.db2.gz ZHADTGRMVYDSQH-WDEREUQCSA-N 2 0 239.388 1.711 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CCCC1CCOCC1 ZINC000415015869 386501355 /nfs/dbraw/zinc/50/13/55/386501355.db2.gz BLFGSRORYIOCQS-LBPRGKRZSA-N 2 0 228.380 1.910 20 0 BDADRP Cc1n[nH]c(C)c1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000415017907 386502717 /nfs/dbraw/zinc/50/27/17/386502717.db2.gz SRNQGHHHMIZFIC-VIFPVBQESA-N 2 0 224.352 1.634 20 0 BDADRP COc1ccc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000415050266 386506242 /nfs/dbraw/zinc/50/62/42/386506242.db2.gz YETJSGXHQIAXJI-STQMWFEESA-N 2 0 234.343 1.912 20 0 BDADRP CCc1cnc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)s1 ZINC000415042409 386529938 /nfs/dbraw/zinc/52/99/38/386529938.db2.gz QSJZTLATNSEPBO-VHSXEESVSA-N 2 0 239.388 1.923 20 0 BDADRP COC(=O)c1cc(C[NH2+][C@H](C)CCC[NH3+])c[nH]1 ZINC000415022326 386512223 /nfs/dbraw/zinc/51/22/23/386512223.db2.gz LIEKGMVUIHQFOC-SECBINFHSA-N 2 0 239.319 1.018 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000415025833 386513455 /nfs/dbraw/zinc/51/34/55/386513455.db2.gz RUKHCVDFEUYHLI-XQHKEYJVSA-N 2 0 238.375 1.661 20 0 BDADRP COC(=O)C(C)(C)CC[NH2+][C@@H](C)CCC[NH3+] ZINC000415023390 386514857 /nfs/dbraw/zinc/51/48/57/386514857.db2.gz MTAUKFHZRMIYMK-JTQLQIEISA-N 2 0 230.352 1.293 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(N(C)C)nc1 ZINC000415027101 386516379 /nfs/dbraw/zinc/51/63/79/386516379.db2.gz WACOQXVOXHKRFS-NSHDSACASA-N 2 0 236.363 1.365 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C[NH3+])C2)CCO1 ZINC000415029533 386516765 /nfs/dbraw/zinc/51/67/65/386516765.db2.gz DSQYSFJSOYDSTK-RQJABVFESA-N 2 0 240.391 1.907 20 0 BDADRP C[NH2+]C1CC[NH+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000335449158 386516767 /nfs/dbraw/zinc/51/67/67/386516767.db2.gz WGSGRRVMQVVJJB-NWDGAFQWSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@H](CCC1CC1)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415029357 386517416 /nfs/dbraw/zinc/51/74/16/386517416.db2.gz AVCCEUWBIOPDPO-DGCLKSJQSA-N 2 0 226.364 1.533 20 0 BDADRP C[NH2+]C1CC[NH+](C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000335449160 386517774 /nfs/dbraw/zinc/51/77/74/386517774.db2.gz WGSGRRVMQVVJJB-VXGBXAGGSA-N 2 0 225.380 1.058 20 0 BDADRP CC[C@@H](C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1 ZINC000415032527 386518438 /nfs/dbraw/zinc/51/84/38/386518438.db2.gz HNESXFNWAUTKHY-SPWCGHHHSA-N 2 0 230.355 1.988 20 0 BDADRP CC[C@H](C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1 ZINC000415032526 386519138 /nfs/dbraw/zinc/51/91/38/386519138.db2.gz HNESXFNWAUTKHY-RZFFKMDDSA-N 2 0 230.355 1.988 20 0 BDADRP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000415030205 386519440 /nfs/dbraw/zinc/51/94/40/386519440.db2.gz DQBRZGWVIKRXSI-APLZJWDSSA-N 2 0 248.292 1.915 20 0 BDADRP C1CC1[C@H]1CCC[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000415032020 386519676 /nfs/dbraw/zinc/51/96/76/386519676.db2.gz GYIQKMBPLKJSFE-QSLWVIQJSA-N 2 0 220.360 1.763 20 0 BDADRP C[C@@H]1CCCC[C@H]1C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415033305 386521172 /nfs/dbraw/zinc/52/11/72/386521172.db2.gz GXEXPLQETFPFKD-HZSPNIEDSA-N 2 0 240.391 1.781 20 0 BDADRP CC(C)CC[C@H](C)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415033171 386521360 /nfs/dbraw/zinc/52/13/60/386521360.db2.gz GQIIZVIDJNEAJK-QWHCGFSZSA-N 2 0 228.380 1.779 20 0 BDADRP CC(C)(C)CC[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415039961 386526868 /nfs/dbraw/zinc/52/68/68/386526868.db2.gz NSAWJRKLPQCNFI-NSHDSACASA-N 2 0 214.353 1.391 20 0 BDADRP C[C@H](CC1CCOCC1)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415038892 386527519 /nfs/dbraw/zinc/52/75/19/386527519.db2.gz NULYHXJAQCODPO-KWCYVHTRSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H]1C[C@@H](C[N@H+](C)Cc2ccnn2C)CC[NH2+]1 ZINC000414770219 386454914 /nfs/dbraw/zinc/45/49/14/386454914.db2.gz XVGDKWXUCNRTSF-NEPJUHHUSA-N 2 0 236.363 1.240 20 0 BDADRP C[C@H](C[NH2+]Cc1ccc2c[nH]nc2c1)C[NH+](C)C ZINC000291742314 386576124 /nfs/dbraw/zinc/57/61/24/386576124.db2.gz OZCYCYFPLACQLY-LLVKDONJSA-N 2 0 246.358 1.850 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977611 386577536 /nfs/dbraw/zinc/57/75/36/386577536.db2.gz FEVXJIIRLGZDJT-UONOGXRCSA-N 3 0 239.407 1.308 20 0 BDADRP CC[C@H]([NH2+]C1CCC([NH3+])CC1)[C@H]1CCCO1 ZINC000415084797 386598294 /nfs/dbraw/zinc/59/82/94/386598294.db2.gz RNWJSJUSEOKYBT-IFWUJCSASA-N 2 0 226.364 1.804 20 0 BDADRP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)CC1CCOCC1 ZINC000414798277 386583237 /nfs/dbraw/zinc/58/32/37/386583237.db2.gz QATRZYXOGVBNCO-YPMHNXCESA-N 2 0 228.380 1.765 20 0 BDADRP NC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000414798285 386583269 /nfs/dbraw/zinc/58/32/69/386583269.db2.gz QBTFJVIPLGVTBW-QWHCGFSZSA-N 2 0 247.342 1.003 20 0 BDADRP COc1cccc(CCC[NH2+]CC(C)(C)[NH3+])c1 ZINC000415078539 386586474 /nfs/dbraw/zinc/58/64/74/386586474.db2.gz IVACJSRFISZJAM-UHFFFAOYSA-N 2 0 236.359 1.955 20 0 BDADRP C[C@@H](Cn1cccn1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000415081749 386598583 /nfs/dbraw/zinc/59/85/83/386598583.db2.gz KXZJLGFUELWLMO-HIFPTAJRSA-N 2 0 236.363 1.379 20 0 BDADRP OCCC1(C[NH2+]C[C@@H]2CCC[NH2+]C2)CCCC1 ZINC000415079596 386591223 /nfs/dbraw/zinc/59/12/23/386591223.db2.gz ILJWEQOCJLWIKI-CYBMUJFWSA-N 2 0 240.391 1.518 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414799972 386592075 /nfs/dbraw/zinc/59/20/75/386592075.db2.gz KKSNVLIYXOSRMM-YIYPIFLZSA-N 3 0 239.407 1.624 20 0 BDADRP CCc1ncc(CNC[C@H]([NH3+])C(C)C)s1 ZINC000414799434 386592419 /nfs/dbraw/zinc/59/24/19/386592419.db2.gz RIDNGDLTDNVZSM-JTQLQIEISA-N 2 0 227.377 1.778 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000414799970 386593692 /nfs/dbraw/zinc/59/36/92/386593692.db2.gz KKSNVLIYXOSRMM-RFGFWPKPSA-N 3 0 239.407 1.624 20 0 BDADRP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H](C)c1ccccc1 ZINC000415046624 386531277 /nfs/dbraw/zinc/53/12/77/386531277.db2.gz XQRYLJLGGCXITH-VEESAYDSSA-N 2 0 230.355 1.986 20 0 BDADRP CC(C)[C@@H]([NH3+])CN[C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000414788580 386532128 /nfs/dbraw/zinc/53/21/28/386532128.db2.gz DNSWQBODEBUUTO-WOPDTQHZSA-N 2 0 213.369 1.090 20 0 BDADRP CCCC(CCC)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415048126 386535276 /nfs/dbraw/zinc/53/52/76/386535276.db2.gz WTONZUZLBYIWLN-ZDUSSCGKSA-N 2 0 228.380 1.923 20 0 BDADRP C[C@H](CCn1cccn1)[NH2+][C@H](C)CC[NH+](C)C ZINC000353533234 386536511 /nfs/dbraw/zinc/53/65/11/386536511.db2.gz CHVGRPRVNXEYNH-CHWSQXEVSA-N 2 0 238.379 1.592 20 0 BDADRP CC(C)(C)[C@H](C[NH3+])NCc1nccs1 ZINC000415059669 386542586 /nfs/dbraw/zinc/54/25/86/386542586.db2.gz VHWYAJMXXXBCTD-QMMMGPOBSA-N 2 0 213.350 1.606 20 0 BDADRP CC[NH+]1CCC(N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000415064497 386544044 /nfs/dbraw/zinc/54/40/44/386544044.db2.gz KUKPAMFSNNUZTH-AWEZNQCLSA-N 2 0 239.407 1.578 20 0 BDADRP CC(C)[C@H]1CCC[C@@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415065917 386547100 /nfs/dbraw/zinc/54/71/00/386547100.db2.gz SPXAUKPIEYFLBM-BNDIWNMDSA-N 2 0 208.349 1.619 20 0 BDADRP C[C@@H](Cc1ccccc1)C[N@H+](C)C[C@H](O)C[NH3+] ZINC000415068003 386552193 /nfs/dbraw/zinc/55/21/93/386552193.db2.gz LXWYNIGBTQBTJK-GXTWGEPZSA-N 2 0 236.359 1.117 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cncc(F)c1 ZINC000414794137 386558377 /nfs/dbraw/zinc/55/83/77/386558377.db2.gz FGSIEOAJKDOAGE-CMPLNLGQSA-N 2 0 223.295 1.438 20 0 BDADRP c1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H]1CC[NH2+]C1)CO2 ZINC000335496849 386621242 /nfs/dbraw/zinc/62/12/42/386621242.db2.gz QGBFXDBGARQMLW-TZMCWYRMSA-N 2 0 246.354 1.579 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+][C@@H]1CCCOCC1 ZINC000415103578 386623769 /nfs/dbraw/zinc/62/37/69/386623769.db2.gz KPGPKGPJLIAUQK-NWDGAFQWSA-N 2 0 214.353 1.519 20 0 BDADRP C1=C(C[NH2+][C@@H]2CCC23CCC3)CC[NH2+]C1 ZINC000335502044 386629780 /nfs/dbraw/zinc/62/97/80/386629780.db2.gz UHVSEVWFZGCOKW-GFCCVEGCSA-N 2 0 206.333 1.828 20 0 BDADRP CCC([NH3+])(CC)C[NH2+]C[C@H]1CCCOC1 ZINC000414810391 386631208 /nfs/dbraw/zinc/63/12/08/386631208.db2.gz NUDIGNDIGMYNIB-LLVKDONJSA-N 2 0 214.353 1.520 20 0 BDADRP CC[C@@H]1C[C@@H](C[NH2+]CC(C)(C)[NH3+])CCO1 ZINC000414810509 386631662 /nfs/dbraw/zinc/63/16/62/386631662.db2.gz XDNRMOAOIGAHRG-WDEREUQCSA-N 2 0 214.353 1.519 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1C[C@@H]([NH3+])Cc2ccccc21 ZINC000415133762 386640415 /nfs/dbraw/zinc/64/04/15/386640415.db2.gz GCHTUTVZMLGMPN-KBPBESRZSA-N 2 0 247.386 1.750 20 0 BDADRP CC[NH+]1CCC(NCC([NH3+])(CC)CC)CC1 ZINC000414812310 386640823 /nfs/dbraw/zinc/64/08/23/386640823.db2.gz RAVZCSYCWYJGCS-UHFFFAOYSA-N 2 0 227.396 1.578 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000414816393 386645743 /nfs/dbraw/zinc/64/57/43/386645743.db2.gz PSYHABNFTCJIFZ-FRRDWIJNSA-N 2 0 227.396 1.624 20 0 BDADRP C(C[NH2+]C1CCCCCC1)N[C@@H]1CCC[NH2+]C1 ZINC000414817108 386653231 /nfs/dbraw/zinc/65/32/31/386653231.db2.gz ZFDQEOFNFPZWDD-CQSZACIVSA-N 2 0 239.407 1.640 20 0 BDADRP COCC1(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CCC1 ZINC000643378764 386654393 /nfs/dbraw/zinc/65/43/93/386654393.db2.gz JBDANDBNVKFUAX-BETUJISGSA-N 2 0 238.375 1.297 20 0 BDADRP Cc1ccc(CNC[C@@](C)(O)C[NH+](C)C)cc1 ZINC000228722646 386604063 /nfs/dbraw/zinc/60/40/63/386604063.db2.gz UGJAGLAQHUBJKV-CQSZACIVSA-N 2 0 236.359 1.397 20 0 BDADRP Cc1cccnc1C[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415086605 386604617 /nfs/dbraw/zinc/60/46/17/386604617.db2.gz UXGGQCLPNILZOF-QWHCGFSZSA-N 2 0 233.359 1.868 20 0 BDADRP C([NH2+][C@H]1CCC12CCCC2)[C@H]1C[NH2+]CCCO1 ZINC000335488142 386604951 /nfs/dbraw/zinc/60/49/51/386604951.db2.gz NDZJFUXYKGSFSG-OLZOCXBDSA-N 2 0 238.375 1.677 20 0 BDADRP CC(C)(C)[NH+]1CCC(N[C@H](C[NH3+])C2CC2)CC1 ZINC000414805162 386608361 /nfs/dbraw/zinc/60/83/61/386608361.db2.gz PHMIXNFXFYDJJC-CYBMUJFWSA-N 2 0 239.407 1.576 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[NH2+]CCc1ccccn1 ZINC000415099656 386608527 /nfs/dbraw/zinc/60/85/27/386608527.db2.gz GXDCVDHMIBSQCJ-GFCCVEGCSA-N 2 0 221.348 1.587 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415091384 386611097 /nfs/dbraw/zinc/61/10/97/386611097.db2.gz ZANZZYLVALYNGP-OUCADQQQSA-N 2 0 242.407 1.761 20 0 BDADRP CCOc1cccc(CN[C@@H](C[NH3+])C2CC2)c1 ZINC000414807840 386613149 /nfs/dbraw/zinc/61/31/49/386613149.db2.gz RPCNWIIDEDMDNZ-AWEZNQCLSA-N 2 0 234.343 1.912 20 0 BDADRP C[C@H](C[NH3+])NCc1cnn(C(C)(C)C)c1 ZINC000414923937 386614399 /nfs/dbraw/zinc/61/43/99/386614399.db2.gz FQCSEFWMFGZSSE-SECBINFHSA-N 2 0 210.325 1.075 20 0 BDADRP COC(=O)C(C)(C)C[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415098931 386617992 /nfs/dbraw/zinc/61/79/92/386617992.db2.gz GDJNEPJZPBFXDQ-WDEREUQCSA-N 2 0 242.363 1.163 20 0 BDADRP COc1cccc(C[C@H](C)[NH2+]CC[C@H](C)[NH3+])n1 ZINC000414819912 386660345 /nfs/dbraw/zinc/66/03/45/386660345.db2.gz IQNKRHDSRRAKFV-QWRGUYRKSA-N 2 0 237.347 1.348 20 0 BDADRP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)C[NH+](C)C ZINC000425928832 386668036 /nfs/dbraw/zinc/66/80/36/386668036.db2.gz WESTWERXZXOYMY-MELADBBJSA-N 2 0 242.407 1.979 20 0 BDADRP C[N@H+]1C[C@@H]2C[NH+](CCC3CCOCC3)C[C@@H]2C1 ZINC000645004647 386670122 /nfs/dbraw/zinc/67/01/22/386670122.db2.gz VJQJQVFXEILQRR-OKILXGFUSA-N 2 0 238.375 1.297 20 0 BDADRP Cc1ccc(F)cc1CNC[C@@H]1CCC[NH2+]1 ZINC000414822196 386670888 /nfs/dbraw/zinc/67/08/88/386670888.db2.gz DHUZSWIMBCXLKW-ZDUSSCGKSA-N 2 0 222.307 1.976 20 0 BDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H]1CCC[NH2+]1 ZINC000414820791 386675019 /nfs/dbraw/zinc/67/50/19/386675019.db2.gz BEDISVKBNQSVFP-MCIONIFRSA-N 2 0 239.407 1.639 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+]CC(C)(C)COC ZINC000414831144 386709770 /nfs/dbraw/zinc/70/97/70/386709770.db2.gz CBHIKPVDAVWUMK-JTQLQIEISA-N 2 0 202.342 1.104 20 0 BDADRP N[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)c1ccccc1 ZINC000414825217 386686324 /nfs/dbraw/zinc/68/63/24/386686324.db2.gz BYVCDIFKKZUWFS-ZALBZXLWSA-N 2 0 247.386 1.794 20 0 BDADRP CC(C)C[C@@H]([NH3+])CNC[C@@H]([NH3+])c1ccccc1 ZINC000414828075 386698483 /nfs/dbraw/zinc/69/84/83/386698483.db2.gz IINHLBDWSCSIHN-ZIAGYGMSSA-N 2 0 235.375 1.649 20 0 BDADRP C[NH2+]C[C@@H]1C[C@H](F)CN1CCC1CC[NH2+]CC1 ZINC000647958496 386706612 /nfs/dbraw/zinc/70/66/12/386706612.db2.gz CJXMEFTVXGYJCI-STQMWFEESA-N 2 0 243.370 1.008 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@H](C[NH3+])C1CCCCC1 ZINC000414830065 386706867 /nfs/dbraw/zinc/70/68/67/386706867.db2.gz ALHYVZQBWZUOBW-UONOGXRCSA-N 2 0 241.423 1.857 20 0 BDADRP CC(C)(C)[NH2+]CC[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414836567 386732683 /nfs/dbraw/zinc/73/26/83/386732683.db2.gz JPWUMLIHWTVNRU-GFCCVEGCSA-N 2 0 227.396 1.354 20 0 BDADRP CC[NH+]1CCN([C@@H](C)C[NH2+]CC2(F)CC2)CC1 ZINC000527030587 386735009 /nfs/dbraw/zinc/73/50/09/386735009.db2.gz OZUCIYCCFPJYFN-LBPRGKRZSA-N 2 0 243.370 1.104 20 0 BDADRP CC(C)(C)[NH2+]CCNC(=O)c1ccc(C[NH3+])cc1 ZINC000186455708 386735186 /nfs/dbraw/zinc/73/51/86/386735186.db2.gz CBYWWWMTZQXQQD-UHFFFAOYSA-N 2 0 249.358 1.263 20 0 BDADRP C[NH2+]CCN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000414832830 386720592 /nfs/dbraw/zinc/72/05/92/386720592.db2.gz RHWXJKSKOLMYNV-UONOGXRCSA-N 2 0 233.359 1.289 20 0 BDADRP c1cc2c(c(C[NH2+]CC[C@@H]3CC[NH2+]C3)c1)NCC2 ZINC000414834819 386723502 /nfs/dbraw/zinc/72/35/02/386723502.db2.gz QXNUEZVMBVACEH-LBPRGKRZSA-N 2 0 245.370 1.744 20 0 BDADRP CC(C)C[C@H](CN)[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414842108 386747560 /nfs/dbraw/zinc/74/75/60/386747560.db2.gz NRVMWZIWQALHIZ-JHJVBQTASA-N 2 0 227.396 1.338 20 0 BDADRP C[NH+]1CCC(C[NH2+]Cc2cocn2)CC1 ZINC000192308057 386754797 /nfs/dbraw/zinc/75/47/97/386754797.db2.gz AKJNOCNVAMQCOT-UHFFFAOYSA-N 2 0 209.293 1.106 20 0 BDADRP C[C@H]1C[C@@H](C[NH2+]CC2([NH3+])CCCCC2)CC[NH2+]1 ZINC000414842839 386755142 /nfs/dbraw/zinc/75/51/42/386755142.db2.gz NAHIAURLQRZSLU-STQMWFEESA-N 3 0 239.407 1.626 20 0 BDADRP [NH3+]CC1CCC([NH2+]CC2([NH3+])CCCCC2)CC1 ZINC000414844309 386763441 /nfs/dbraw/zinc/76/34/41/386763441.db2.gz PKFOJORKXZYGOK-UHFFFAOYSA-N 3 0 239.407 1.755 20 0 BDADRP CC(C)CCOCC[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000166224229 386765090 /nfs/dbraw/zinc/76/50/90/386765090.db2.gz KRSCNJXARALWMJ-OLZOCXBDSA-N 2 0 228.380 1.718 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCCCCO)CN1C1CC1 ZINC000192906967 386792166 /nfs/dbraw/zinc/79/21/66/386792166.db2.gz ZZJKICWLZVDBEZ-NWDGAFQWSA-N 2 0 226.364 1.364 20 0 BDADRP [NH3+]CCCN(CC1CCCC1)C[C@@H]1CC[NH2+]C1 ZINC000647965998 386794986 /nfs/dbraw/zinc/79/49/86/386794986.db2.gz DEZKGAOBQOCADO-CQSZACIVSA-N 2 0 239.407 1.437 20 0 BDADRP C[C@@H](C[NH3+])NC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000417813695 386781823 /nfs/dbraw/zinc/78/18/23/386781823.db2.gz GLPMCNJDCZFCEQ-JQWIXIFHSA-N 2 0 249.358 1.176 20 0 BDADRP C[C@@H]([NH2+]Cc1cccc(O)c1)[C@@H]1CCC[NH2+]C1 ZINC000414846259 386818306 /nfs/dbraw/zinc/81/83/06/386818306.db2.gz DVKMUFPTEFGCNN-DGCLKSJQSA-N 2 0 234.343 1.870 20 0 BDADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000417845548 386804139 /nfs/dbraw/zinc/80/41/39/386804139.db2.gz RZPAKIABZLGOTN-WCFLWFBJSA-N 2 0 247.342 1.025 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[NH2+]Cc2ccccc21 ZINC000414845646 386806706 /nfs/dbraw/zinc/80/67/06/386806706.db2.gz MHYZSPZYIHRRSL-AWEZNQCLSA-N 2 0 247.386 1.970 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1cccc(F)c1 ZINC000414847126 386832102 /nfs/dbraw/zinc/83/21/02/386832102.db2.gz VGKKDZLGDFVSSY-SNVBAGLBSA-N 2 0 210.296 1.771 20 0 BDADRP CC[C@@H](CO)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000163989480 386842402 /nfs/dbraw/zinc/84/24/02/386842402.db2.gz DTQVZKCLGPXXKM-TVYUQYBPSA-N 2 0 220.316 1.492 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@H]1COC(C)(C)C1 ZINC000417882533 386846781 /nfs/dbraw/zinc/84/67/81/386846781.db2.gz VKAAKDFIQQNYKR-GFCCVEGCSA-N 2 0 244.379 1.112 20 0 BDADRP C[C@@H]1CCC[C@H](C)C[N@H+]1CCN1CC[NH2+]CC1 ZINC000334787870 386849548 /nfs/dbraw/zinc/84/95/48/386849548.db2.gz YPSNOVMPDQIKDL-UONOGXRCSA-N 2 0 239.407 1.402 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CO)C2)c2ccccc21 ZINC000331497074 386863723 /nfs/dbraw/zinc/86/37/23/386863723.db2.gz BLZFEJDXASVBLT-BVIHXZOGSA-N 2 0 246.354 1.882 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000331528723 386866123 /nfs/dbraw/zinc/86/61/23/386866123.db2.gz DAWKCDDJGRJXEC-MJBXVCDLSA-N 3 0 239.407 1.768 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000331605702 386874121 /nfs/dbraw/zinc/87/41/21/386874121.db2.gz IEOWMALRJWDCJG-VOAKCMCISA-N 2 0 226.364 1.397 20 0 BDADRP C[NH2+]CCCN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156650425 386875464 /nfs/dbraw/zinc/87/54/64/386875464.db2.gz RDUYKMCPYUXVCS-NEPJUHHUSA-N 3 0 213.369 1.010 20 0 BDADRP COC(=O)C(C)(C)CC[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414943217 386896664 /nfs/dbraw/zinc/89/66/64/386896664.db2.gz NNUOOGWILDNHFY-QWRGUYRKSA-N 2 0 242.363 1.163 20 0 BDADRP Cc1n[nH]cc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000334866734 386923973 /nfs/dbraw/zinc/92/39/73/386923973.db2.gz CFBNXJIRPGGVLR-OCCSQVGLSA-N 2 0 248.374 1.682 20 0 BDADRP Cc1n[nH]c(C)c1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000334820050 386947466 /nfs/dbraw/zinc/94/74/66/386947466.db2.gz LCTKJRZYXZANSY-CABZTGNLSA-N 2 0 236.363 1.443 20 0 BDADRP Cc1nc2ccccn2c1CN(C)C1CC([NH3+])C1 ZINC000334869634 386927484 /nfs/dbraw/zinc/92/74/84/386927484.db2.gz QTKNACAXCCMQQD-UHFFFAOYSA-N 2 0 244.342 1.564 20 0 BDADRP [NH3+]Cc1ccc(N[C@@H]2CCC[NH2+]C2)cc1 ZINC000334872308 386932353 /nfs/dbraw/zinc/93/23/53/386932353.db2.gz DPYWFBHWHHRVDI-GFCCVEGCSA-N 2 0 205.305 1.309 20 0 BDADRP C[C@@]1(C[NH2+][C@H]2CCCSC2)CCC[NH2+]C1 ZINC000334871902 386933188 /nfs/dbraw/zinc/93/31/88/386933188.db2.gz CBWGPVALGCSEMD-NWDGAFQWSA-N 2 0 228.405 1.861 20 0 BDADRP C[C@]1(C[NH2+]C2CCC([NH3+])CC2)CCC[NH2+]C1 ZINC000334875844 386937489 /nfs/dbraw/zinc/93/74/89/386937489.db2.gz UXEBWDGZXZKNGD-BPCQOVAHSA-N 3 0 225.380 1.236 20 0 BDADRP COCCC1(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000395197383 386982692 /nfs/dbraw/zinc/98/26/92/386982692.db2.gz KUHFPUKEEMPXSZ-OLZOCXBDSA-N 2 0 240.391 1.923 20 0 BDADRP CCCC[NH+]1CCC([NH2+][C@@H](C)CC(N)=O)CC1 ZINC000341906163 386986884 /nfs/dbraw/zinc/98/68/84/386986884.db2.gz XENNHEFAMNDPNM-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP CC(C)C[C@H]([NH3+])C[N@H+](C)C[C@@H]1CCOC1 ZINC000398993917 387034883 /nfs/dbraw/zinc/03/48/83/387034883.db2.gz QLENBNDODMFPFZ-RYUDHWBXSA-N 2 0 214.353 1.328 20 0 BDADRP C[C@@H](Cc1cnccn1)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000333565298 387043694 /nfs/dbraw/zinc/04/36/94/387043694.db2.gz LPYPEHVSWBCFBC-CYZMBNFOSA-N 2 0 234.347 1.267 20 0 BDADRP CC(C)[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000334969147 387052649 /nfs/dbraw/zinc/05/26/49/387052649.db2.gz OUXALMQDADGQPY-CHWSQXEVSA-N 2 0 226.364 1.613 20 0 BDADRP [NH3+][C@@H]1C[C@H](N[C@@H]2CCCC[NH2+]C2)c2ccccc21 ZINC000333829214 387058405 /nfs/dbraw/zinc/05/84/05/387058405.db2.gz MFOLTDJBZAVHOA-DFBGVHRSSA-N 2 0 245.370 1.863 20 0 BDADRP CC[NH+](CC)[C@@H]1CCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000110370792 387062764 /nfs/dbraw/zinc/06/27/64/387062764.db2.gz SXCZSANCYCJVAQ-ZIAGYGMSSA-N 2 0 239.407 1.402 20 0 BDADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)C[C@H]1CCOC1 ZINC000398885337 387011807 /nfs/dbraw/zinc/01/18/07/387011807.db2.gz KJAGTAXMBZDCIW-CHWSQXEVSA-N 2 0 226.364 1.344 20 0 BDADRP CC[NH+](CC)[C@H]1CCN(C(=O)CC[C@@H](C)[NH3+])C1 ZINC000070318085 387065730 /nfs/dbraw/zinc/06/57/30/387065730.db2.gz SVKIYURVVZBEKP-NEPJUHHUSA-N 2 0 241.379 1.057 20 0 BDADRP Cc1cnc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)o1 ZINC000334980839 387068635 /nfs/dbraw/zinc/06/86/35/387068635.db2.gz OHKGWPYXCJBATE-OLZOCXBDSA-N 2 0 249.358 1.805 20 0 BDADRP c1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)no1 ZINC000334980288 387068655 /nfs/dbraw/zinc/06/86/55/387068655.db2.gz MBPJUUKJQFVGAP-RYUDHWBXSA-N 2 0 235.331 1.496 20 0 BDADRP Cc1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)on1 ZINC000334980890 387068684 /nfs/dbraw/zinc/06/86/84/387068684.db2.gz QCLYUTPIYHIILU-STQMWFEESA-N 2 0 249.358 1.805 20 0 BDADRP Cc1cc(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)on1 ZINC000334983744 387072101 /nfs/dbraw/zinc/07/21/01/387072101.db2.gz NKVCOHOCKFBTJU-GXTWGEPZSA-N 2 0 249.358 1.947 20 0 BDADRP C[C@@H]([NH3+])CN(CCC[NH3+])Cc1ccccc1 ZINC000359271271 387076292 /nfs/dbraw/zinc/07/62/92/387076292.db2.gz GNSGUGJSDYOLHS-GFCCVEGCSA-N 2 0 221.348 1.185 20 0 BDADRP c1ccc2c(c1)C[NH2+]CCN2CC[C@@H]1CC[NH2+]C1 ZINC000334998949 387092024 /nfs/dbraw/zinc/09/20/24/387092024.db2.gz XCVNCPKKRBMJAZ-ZDUSSCGKSA-N 2 0 245.370 1.596 20 0 BDADRP c1ccc2c(c1)C[NH2+]CCN2CC[C@H]1CC[NH2+]C1 ZINC000334998948 387092308 /nfs/dbraw/zinc/09/23/08/387092308.db2.gz XCVNCPKKRBMJAZ-CYBMUJFWSA-N 2 0 245.370 1.596 20 0 BDADRP COCCC1(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000400733711 533212228 /nfs/dbraw/zinc/21/22/28/533212228.db2.gz RGIMRXPECUYQJS-VXGBXAGGSA-N 2 0 226.364 1.533 20 0 BDADRP CN(C)[C@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000250350791 387114206 /nfs/dbraw/zinc/11/42/06/387114206.db2.gz JHKDCWHDJLVDOL-OLZOCXBDSA-N 2 0 225.380 1.012 20 0 BDADRP CC(C)(C)[C@@H]1C[C@H]([NH2+]C2CC[NH2+]CC2)CCO1 ZINC000335026347 387118870 /nfs/dbraw/zinc/11/88/70/387118870.db2.gz MOGAUUDWDIIJAZ-OLZOCXBDSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H]1CC([NH2+]C[C@@](C)(O)C[NH+](C)C)C[C@H](C)C1 ZINC000228722166 387121106 /nfs/dbraw/zinc/12/11/06/387121106.db2.gz ILZNGVSOAZAIHE-YRGRVCCFSA-N 2 0 242.407 1.713 20 0 BDADRP C[NH+](C)CCOCC[NH2+]Cc1ccccc1 ZINC000074525176 387128197 /nfs/dbraw/zinc/12/81/97/387128197.db2.gz FUCMDDDTZNUMGB-UHFFFAOYSA-N 2 0 222.332 1.354 20 0 BDADRP COc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH3+])cc1O ZINC000423299322 387128640 /nfs/dbraw/zinc/12/86/40/387128640.db2.gz BSRDDGKPGVTALE-NXEZZACHSA-N 2 0 238.331 1.646 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000423298876 387129080 /nfs/dbraw/zinc/12/90/80/387129080.db2.gz PBLZOVWFHYUUPX-MCIONIFRSA-N 2 0 241.423 1.824 20 0 BDADRP C([NH2+]C1C2CC3CC(C2)CC1C3)C1C[NH2+]C1 ZINC000423299526 387129460 /nfs/dbraw/zinc/12/94/60/387129460.db2.gz CBVVQUIHBHRQBV-UHFFFAOYSA-N 2 0 220.360 1.620 20 0 BDADRP CCCC[C@H](CN)[NH2+][C@H](C)CCCC[NH3+] ZINC000423298562 387129805 /nfs/dbraw/zinc/12/98/05/387129805.db2.gz ONTXMEUURLBYGR-VXGBXAGGSA-N 2 0 215.385 1.611 20 0 BDADRP Cc1ccnc([C@@H](C)[NH2+]C[C@H](C)C[NH3+])c1 ZINC000423299287 387129980 /nfs/dbraw/zinc/12/99/80/387129980.db2.gz BPXDKBRMLGHZQV-GHMZBOCLSA-N 2 0 207.321 1.635 20 0 BDADRP C[C@H](CCc1ccccc1F)[NH2+]CC1C[NH2+]C1 ZINC000423306407 387142058 /nfs/dbraw/zinc/14/20/58/387142058.db2.gz SVMPBWUFTNOUEB-LLVKDONJSA-N 2 0 236.334 1.956 20 0 BDADRP CCC[NH2+]CCN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000423308870 387143345 /nfs/dbraw/zinc/14/33/45/387143345.db2.gz KFHLORFQEULZTD-NWDGAFQWSA-N 2 0 213.369 1.058 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000423307354 387144161 /nfs/dbraw/zinc/14/41/61/387144161.db2.gz MZIYNYPJMBIYIE-YGRLFVJLSA-N 2 0 234.343 1.954 20 0 BDADRP CCC[NH2+]CCN[C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423307549 387144431 /nfs/dbraw/zinc/14/44/31/387144431.db2.gz HAWROUACDRKAMH-DZGCQCFKSA-N 2 0 249.402 1.534 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000423310573 387146363 /nfs/dbraw/zinc/14/63/63/387146363.db2.gz SAOSUZOAAIEFGC-DDHJBXDOSA-N 2 0 226.364 1.374 20 0 BDADRP CCC[NH2+]CCN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423310231 387146418 /nfs/dbraw/zinc/14/64/18/387146418.db2.gz NEBNVNHBPWXENN-VXGBXAGGSA-N 2 0 213.369 1.106 20 0 BDADRP CCC[NH2+]CCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000423309902 387146913 /nfs/dbraw/zinc/14/69/13/387146913.db2.gz MLFLUWWGCFCKIY-YNEHKIRRSA-N 2 0 227.396 1.304 20 0 BDADRP CCC1(CC)[C@H]([NH2+]C[C@@H](C)C[NH3+])C[C@H]1OC ZINC000423312374 387148365 /nfs/dbraw/zinc/14/83/65/387148365.db2.gz UZPKNFUCPQLDKP-QJPTWQEYSA-N 2 0 228.380 1.765 20 0 BDADRP CCC1(CC)[C@H]([NH2+]CCCC[NH3+])C[C@@H]1OC ZINC000423315363 387153661 /nfs/dbraw/zinc/15/36/61/387153661.db2.gz ANLSEYNMQQMTPN-NEPJUHHUSA-N 2 0 228.380 1.909 20 0 BDADRP CC1(C[NH2+][C@H]2CCC[C@H]2C[NH3+])CC[NH2+]CC1 ZINC000423319549 387161326 /nfs/dbraw/zinc/16/13/26/387161326.db2.gz DLLDXHNVMVURSO-RYUDHWBXSA-N 3 0 225.380 1.093 20 0 BDADRP CC1(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])CC[NH2+]CC1 ZINC000423319546 387161622 /nfs/dbraw/zinc/16/16/22/387161622.db2.gz DLLDXHNVMVURSO-NEPJUHHUSA-N 3 0 225.380 1.093 20 0 BDADRP COC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353391375 387193167 /nfs/dbraw/zinc/19/31/67/387193167.db2.gz CDNJBYSEHDOWBB-XQQFMLRXSA-N 2 0 240.391 1.874 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423332810 387179015 /nfs/dbraw/zinc/17/90/15/387179015.db2.gz PKJVRKBPOLNJBU-QJPTWQEYSA-N 2 0 214.353 1.389 20 0 BDADRP C[N@@H+]1CC[C@H](NC[C@H]([NH3+])C2CC2)[C@H]2CCC[C@H]21 ZINC000423334506 387180899 /nfs/dbraw/zinc/18/08/99/387180899.db2.gz WNXPVNBVBARTQQ-ZOBORPQBSA-N 2 0 237.391 1.186 20 0 BDADRP [NH3+]CCCC[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000423335912 387182829 /nfs/dbraw/zinc/18/28/29/387182829.db2.gz UJKLATOHPVQMCA-MGPQQGTHSA-N 2 0 240.391 1.910 20 0 BDADRP C1=C(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC[NH2+]C1 ZINC000423335829 387183720 /nfs/dbraw/zinc/18/37/20/387183720.db2.gz GPJUBIFURXOCSV-MJBXVCDLSA-N 2 0 248.370 1.453 20 0 BDADRP [NH3+]CCCC[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000423339128 387187694 /nfs/dbraw/zinc/18/76/94/387187694.db2.gz WNAQRSIAYFIDGZ-BFHYXJOUSA-N 2 0 240.391 1.910 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cn[nH]c1 ZINC000229636764 387188975 /nfs/dbraw/zinc/18/89/75/387188975.db2.gz MSJSIWLJASEOOJ-JTQLQIEISA-N 2 0 222.336 1.402 20 0 BDADRP CC(C)[C@H]1C[C@@H]([NH2+]CC2=CC[NH2+]CC2)CCO1 ZINC000423341818 387191256 /nfs/dbraw/zinc/19/12/56/387191256.db2.gz KJMLIJVLQJDMPD-UONOGXRCSA-N 2 0 238.375 1.699 20 0 BDADRP C[C@H](C[NH3+])CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423301829 387135594 /nfs/dbraw/zinc/13/55/94/387135594.db2.gz GQHDCXNIPFKKDR-JIMOISOXSA-N 2 0 219.332 1.316 20 0 BDADRP COc1cccc2c1CC[C@H]2[NH2+]CC1C[NH2+]C1 ZINC000423303473 387136614 /nfs/dbraw/zinc/13/66/14/387136614.db2.gz LQDYMSZVOWABOQ-CYBMUJFWSA-N 2 0 232.327 1.492 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000423304128 387136804 /nfs/dbraw/zinc/13/68/04/387136804.db2.gz JYUJLQLZYLVVOC-GXFFZTMASA-N 2 0 234.343 1.954 20 0 BDADRP CCC[C@H]([NH3+])C(=O)NCC1([NH3+])CCCCCC1 ZINC000370713463 387137101 /nfs/dbraw/zinc/13/71/01/387137101.db2.gz QEJWAGCIGAMHBG-NSHDSACASA-N 2 0 241.379 1.282 20 0 BDADRP C([NH2+][C@H]1CCC[C@@H](C2CC2)C1)C1C[NH2+]C1 ZINC000423303494 387137523 /nfs/dbraw/zinc/13/75/23/387137523.db2.gz LSQZQMKOAYXOEK-OLZOCXBDSA-N 2 0 208.349 1.764 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000423303148 387138010 /nfs/dbraw/zinc/13/80/10/387138010.db2.gz WORDDWMJNZKOHN-MNOVXSKESA-N 2 0 222.332 1.424 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]CCCCCO)c2ccccc21 ZINC000229108672 387140068 /nfs/dbraw/zinc/14/00/68/387140068.db2.gz FHKVJWKMLLKFKT-UONOGXRCSA-N 2 0 234.343 1.883 20 0 BDADRP C1=C(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)CC[NH2+]C1 ZINC000423350673 387202854 /nfs/dbraw/zinc/20/28/54/387202854.db2.gz GPJUBIFURXOCSV-HZSPNIEDSA-N 2 0 248.370 1.453 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000229972803 387207785 /nfs/dbraw/zinc/20/77/85/387207785.db2.gz YKTJECAPHREVRT-MGPQQGTHSA-N 2 0 234.343 1.738 20 0 BDADRP COCCC[C@H](C)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423356718 387207777 /nfs/dbraw/zinc/20/77/77/387207777.db2.gz HGAJHYCGWJFPIP-NWDGAFQWSA-N 2 0 214.353 1.533 20 0 BDADRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)[C@H]1CC1(C)C ZINC000423358378 387209836 /nfs/dbraw/zinc/20/98/36/387209836.db2.gz TZSHBBFZFBJYCA-ZYHUDNBSSA-N 2 0 208.349 1.930 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CNCC[C@@H]1C ZINC000423360422 387212404 /nfs/dbraw/zinc/21/24/04/387212404.db2.gz LJTLKKLACYHJSP-TUAOUCFPSA-N 2 0 213.369 1.092 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2CC[NH2+][C@H](C)C2)C[N@@H+]1C1CC1 ZINC000423364140 387215637 /nfs/dbraw/zinc/21/56/37/387215637.db2.gz ATVSQSNRDRWKBH-LPWJVIDDSA-N 2 0 237.391 1.342 20 0 BDADRP C[C@@H](C[NH3+])N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000423362869 387216184 /nfs/dbraw/zinc/21/61/84/387216184.db2.gz ILEDWMWURYAKEZ-GUTXKFCHSA-N 2 0 247.386 1.586 20 0 BDADRP CCn1cc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000423365445 387219149 /nfs/dbraw/zinc/21/91/49/387219149.db2.gz BHIRFJPQLXNSPL-WCFLWFBJSA-N 2 0 236.363 1.824 20 0 BDADRP [NH3+]CCC[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000643496826 387219948 /nfs/dbraw/zinc/21/99/48/387219948.db2.gz YDCYCULFBFZJCQ-CQSZACIVSA-N 2 0 218.344 1.872 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)[C@H](C)O1 ZINC000423325907 387229331 /nfs/dbraw/zinc/22/93/31/387229331.db2.gz CETFZBFXHHQHNH-MROQNXINSA-N 2 0 226.364 1.532 20 0 BDADRP c1cnn([C@@H]2CCC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)c1 ZINC000336409499 387237827 /nfs/dbraw/zinc/23/78/27/387237827.db2.gz YNOMDLSGJMVJSR-UONOGXRCSA-N 2 0 248.374 1.520 20 0 BDADRP CC[C@H]1CC[C@H]1[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000423407866 387244647 /nfs/dbraw/zinc/24/46/47/387244647.db2.gz NMNSQMWXOIJHCK-QWHCGFSZSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cn[nH]c1 ZINC000353645633 387247804 /nfs/dbraw/zinc/24/78/04/387247804.db2.gz PFQDWNMQZORZRB-QFWMXSHPSA-N 2 0 236.363 1.933 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccncn1 ZINC000423423046 387250035 /nfs/dbraw/zinc/25/00/35/387250035.db2.gz LSHNQDVPUXYMOJ-AVGNSLFASA-N 2 0 248.374 1.892 20 0 BDADRP CN(Cc1cncn1C)CC1([NH+](C)C)CCC1 ZINC000187976306 387250308 /nfs/dbraw/zinc/25/03/08/387250308.db2.gz NTPYQQILXWJJIX-UHFFFAOYSA-N 2 0 236.363 1.336 20 0 BDADRP C1CC1[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCC1 ZINC000423426334 387251892 /nfs/dbraw/zinc/25/18/92/387251892.db2.gz HTPASWOSGLQPML-XQHKEYJVSA-N 2 0 206.333 1.373 20 0 BDADRP C[N@@H+]1CC[C@H](NCC(F)(F)CN)[C@@H]2CCC[C@H]21 ZINC000423349437 387201043 /nfs/dbraw/zinc/20/10/43/387201043.db2.gz WTMMRSXFDDNIIY-GARJFASQSA-N 2 0 247.333 1.043 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423461843 387310620 /nfs/dbraw/zinc/31/06/20/387310620.db2.gz TWTHMFNFURVEFS-SWHYSGLUSA-N 3 0 233.359 1.848 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCOC1 ZINC000423462300 387310659 /nfs/dbraw/zinc/31/06/59/387310659.db2.gz DLIHSMQSZNJFDT-MQYQWHSLSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000423463042 387310944 /nfs/dbraw/zinc/31/09/44/387310944.db2.gz LBIFZKRXJYCGIG-PDWCTOEPSA-N 2 0 240.391 1.907 20 0 BDADRP C[C@]12C[C@H]1CCC[C@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423462038 387310978 /nfs/dbraw/zinc/31/09/78/387310978.db2.gz UZRBVRJDTRJIPB-QKFSQAGISA-N 2 0 206.333 1.373 20 0 BDADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)[C@H]1C[C@H]1C ZINC000321915864 387316211 /nfs/dbraw/zinc/31/62/11/387316211.db2.gz QKOULFNNTBUUHT-UTUOFQBUSA-N 2 0 214.353 1.199 20 0 BDADRP C[C@@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)[C@H](C)[NH3+] ZINC000423470440 387316506 /nfs/dbraw/zinc/31/65/06/387316506.db2.gz PJEAZODMLHPDBM-ZOLYEBIHSA-N 2 0 238.375 1.659 20 0 BDADRP C[C@H](CCCC[NH3+])N[C@H]1C[NH2+]CCC1(F)F ZINC000423469562 387316645 /nfs/dbraw/zinc/31/66/45/387316645.db2.gz COMHRGBVGLERHU-ZJUUUORDSA-N 2 0 235.322 1.091 20 0 BDADRP CCC[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@@H]1O)C(C)(C)C ZINC000423428862 387254360 /nfs/dbraw/zinc/25/43/60/387254360.db2.gz OPGFZOQWFDQKBQ-SRVKXCTJSA-N 2 0 228.380 1.371 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000423378981 387259248 /nfs/dbraw/zinc/25/92/48/387259248.db2.gz LKCZVXVGRMLMCE-YVECIDJPSA-N 2 0 240.391 1.778 20 0 BDADRP CC[NH2+][C@H](C)CN[C@@H](C)c1c[nH+]ccc1N ZINC000423379690 387262148 /nfs/dbraw/zinc/26/21/48/387262148.db2.gz GRMBHTPWMRNIOI-ZJUUUORDSA-N 2 0 222.336 1.143 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)[C@@H](C)O1 ZINC000423382115 387264600 /nfs/dbraw/zinc/26/46/00/387264600.db2.gz JUXCQUDYIRXPQN-HFAKWTLXSA-N 2 0 246.354 1.945 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCC12CCC2 ZINC000423386531 387272423 /nfs/dbraw/zinc/27/24/23/387272423.db2.gz HGQBVNMJPYGHEF-WOPDTQHZSA-N 2 0 208.349 1.907 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000643498513 387277096 /nfs/dbraw/zinc/27/70/96/387277096.db2.gz OOFWDNXELQFKDK-GHMZBOCLSA-N 2 0 200.326 1.143 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000423480452 387283588 /nfs/dbraw/zinc/28/35/88/387283588.db2.gz VZZNYEZWONBVAB-QJPTWQEYSA-N 2 0 228.380 1.905 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[C@@H](C[NH3+])CC1 ZINC000423436497 387286588 /nfs/dbraw/zinc/28/65/88/387286588.db2.gz ZZFTXLXZRNVQEB-AAVRWANBSA-N 3 0 239.407 1.469 20 0 BDADRP COC[C@]1(C[NH2+][C@H](C)C2CCCC2)CCC[NH2+]1 ZINC000423439093 387287523 /nfs/dbraw/zinc/28/75/23/387287523.db2.gz VEXFYDRLDBOVJD-TZMCWYRMSA-N 2 0 240.391 1.923 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])C12CCC2 ZINC000423440327 387289693 /nfs/dbraw/zinc/28/96/93/387289693.db2.gz IOFJPTPXTOQYQS-WHOHXGKFSA-N 2 0 226.364 1.659 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000423442695 387292075 /nfs/dbraw/zinc/29/20/75/387292075.db2.gz VGMKOHDBJGTKNH-JHJVBQTASA-N 3 0 227.396 1.482 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc(F)cn1 ZINC000423450025 387298776 /nfs/dbraw/zinc/29/87/76/387298776.db2.gz HBTSKXBBYCFFOL-VHSXEESVSA-N 2 0 225.311 1.999 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423454251 387302323 /nfs/dbraw/zinc/30/23/23/387302323.db2.gz BYPBILJPSJKJLE-SYQHCUMBSA-N 3 0 239.407 1.434 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000423455593 387304912 /nfs/dbraw/zinc/30/49/12/387304912.db2.gz MQTIUKDALPWDGA-XJFOESAGSA-N 3 0 239.407 1.576 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@H]1CCc2ccccc2OC1 ZINC000423459346 387306994 /nfs/dbraw/zinc/30/69/94/387306994.db2.gz HTRPFFBVUBUGSI-STQMWFEESA-N 2 0 234.343 1.707 20 0 BDADRP Cc1cc(CC[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)on1 ZINC000353997168 387308290 /nfs/dbraw/zinc/30/82/90/387308290.db2.gz QMPAYROBLSJJCW-NEPJUHHUSA-N 2 0 237.347 1.598 20 0 BDADRP C(C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)OCC1CC1 ZINC000360549299 387308889 /nfs/dbraw/zinc/30/88/89/387308889.db2.gz FJKBEOXIRLPNTL-ZDUSSCGKSA-N 2 0 224.348 1.098 20 0 BDADRP C[C@@H]1C[C@@H]([NH+]2CCSCC2)CC[NH2+]1 ZINC000575512074 387383969 /nfs/dbraw/zinc/38/39/69/387383969.db2.gz KNXDTVJNZSBNQJ-ZJUUUORDSA-N 2 0 200.351 1.176 20 0 BDADRP CC[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccn(C)n1 ZINC000423534859 387361361 /nfs/dbraw/zinc/36/13/61/387361361.db2.gz BCSIRYCMNJVZCU-ZDUSSCGKSA-N 2 0 248.374 1.771 20 0 BDADRP CCn1ccnc1[C@H](C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423537702 387362884 /nfs/dbraw/zinc/36/28/84/387362884.db2.gz KQSNHODGUFTTJU-LBPRGKRZSA-N 2 0 248.374 1.863 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@@H]1CCCC[NH2+]1 ZINC000643502846 387363105 /nfs/dbraw/zinc/36/31/05/387363105.db2.gz STQDCUOQLIZXRO-AVGNSLFASA-N 2 0 225.380 1.236 20 0 BDADRP CCC[C@@H](C(=O)Nc1ccc(C[NH3+])cc1)[NH+](C)C ZINC000423538712 387363220 /nfs/dbraw/zinc/36/32/20/387363220.db2.gz GYYZZMVRQHIJQB-ZDUSSCGKSA-N 2 0 249.358 1.814 20 0 BDADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423538182 387364477 /nfs/dbraw/zinc/36/44/77/387364477.db2.gz MERJPZRIUSPJRD-DOMZBBRYSA-N 2 0 249.402 1.369 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423539757 387366615 /nfs/dbraw/zinc/36/66/15/387366615.db2.gz ISMNQDGOTYWHBI-FPYNETTCSA-N 2 0 226.364 1.388 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1NCCC[NH2+]C1CC1 ZINC000423543796 387368077 /nfs/dbraw/zinc/36/80/77/387368077.db2.gz CDWPHZSWWZUTFU-CHWSQXEVSA-N 2 0 225.380 1.378 20 0 BDADRP C[C@@H]1C[C@H](NC[C@H]2CCCC[NH2+]2)c2nccn21 ZINC000643503033 387368163 /nfs/dbraw/zinc/36/81/63/387368163.db2.gz ZHZFBWSOTJZAGX-UTUOFQBUSA-N 2 0 234.347 1.621 20 0 BDADRP C[C@@H]1OCC[C@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423543250 387368632 /nfs/dbraw/zinc/36/86/32/387368632.db2.gz UUEIKJRBAIWIIV-CMPLNLGQSA-N 2 0 210.321 1.063 20 0 BDADRP CC[C@H](C)C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423549295 387369690 /nfs/dbraw/zinc/36/96/90/387369690.db2.gz NHUREWSUAFDUOD-REWJHTLYSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)[C@H]1CCCC[NH2+]1 ZINC000423545670 387369984 /nfs/dbraw/zinc/36/99/84/387369984.db2.gz YHEVFNWONYCMSS-GXTWGEPZSA-N 3 0 237.391 1.416 20 0 BDADRP Cc1nn(C)cc1[C@H](C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423546116 387370165 /nfs/dbraw/zinc/37/01/65/387370165.db2.gz YRLPTMKHLRTVSK-NSHDSACASA-N 2 0 248.374 1.689 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423553596 387372817 /nfs/dbraw/zinc/37/28/17/387372817.db2.gz KMSOSAYYCHGSBP-VXGBXAGGSA-N 3 0 213.369 1.236 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1NCCC[NH2+]C1CC1 ZINC000423549741 387372836 /nfs/dbraw/zinc/37/28/36/387372836.db2.gz IEBLLKAUOPJJLP-DGCLKSJQSA-N 2 0 225.380 1.106 20 0 BDADRP C[C@H](N[C@@H]1CC[N@H+](CC2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000643462907 387322168 /nfs/dbraw/zinc/32/21/68/387322168.db2.gz YFGKGOTXMRPPDA-IACUBPJLSA-N 2 0 237.391 1.201 20 0 BDADRP C[C@H](N[C@H]1C[NH2+]CCC1(F)F)[C@@H]1CCCC[NH2+]1 ZINC000423474858 387322690 /nfs/dbraw/zinc/32/26/90/387322690.db2.gz HTRDWWIACRSSGL-DCAQKATOSA-N 2 0 247.333 1.104 20 0 BDADRP CC[C@H]([NH3+])C[NH2+]C1CCC(COC)CC1 ZINC000423479978 387325912 /nfs/dbraw/zinc/32/59/12/387325912.db2.gz VUSJJRCODYWXMO-CXQJBGSLSA-N 2 0 214.353 1.519 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000423481997 387326422 /nfs/dbraw/zinc/32/64/22/387326422.db2.gz XHULNTMBVFANIN-REWJHTLYSA-N 3 0 239.407 1.754 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000423481995 387326750 /nfs/dbraw/zinc/32/67/50/387326750.db2.gz XHULNTMBVFANIN-DGAVXFQQSA-N 3 0 239.407 1.754 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423479293 387327789 /nfs/dbraw/zinc/32/77/89/387327789.db2.gz MBZVQRLMNWPVCH-MCIONIFRSA-N 3 0 239.407 1.496 20 0 BDADRP CCN1C[C@H](C)[C@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)C1 ZINC000423485661 387331770 /nfs/dbraw/zinc/33/17/70/387331770.db2.gz BBXRHCYWUSOAOR-WUHRBBMRSA-N 2 0 225.380 1.044 20 0 BDADRP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423491965 387335288 /nfs/dbraw/zinc/33/52/88/387335288.db2.gz KYGAZXUWDFOTIC-YNEHKIRRSA-N 2 0 240.391 1.779 20 0 BDADRP C([NH2+][C@H](C1CC1)C1CCC1)[C@@H]1C[NH2+]CCCO1 ZINC000423492814 387336083 /nfs/dbraw/zinc/33/60/83/387336083.db2.gz OSOJHMQLTSWSAF-KBPBESRZSA-N 2 0 238.375 1.533 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)C1CCCC1 ZINC000423490042 387336322 /nfs/dbraw/zinc/33/63/22/387336322.db2.gz HIGDACAVXZAPCD-KGLIPLIRSA-N 2 0 240.391 1.923 20 0 BDADRP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423493903 387337430 /nfs/dbraw/zinc/33/74/30/387337430.db2.gz RHGHQBRVWURMGL-RDBSUJKOSA-N 2 0 240.391 1.923 20 0 BDADRP CC[NH2+][C@H](C)CNC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000423590103 387383351 /nfs/dbraw/zinc/38/33/51/387383351.db2.gz DJWFEXLTLYWOEN-GHMZBOCLSA-N 2 0 249.358 1.434 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C1 ZINC000643500762 387345095 /nfs/dbraw/zinc/34/50/95/387345095.db2.gz CCJWWBDROXJGQS-FRRDWIJNSA-N 2 0 226.364 1.533 20 0 BDADRP CCc1ccccc1[C@H]([NH3+])CN[C@H](C)C[C@@H](C)[NH3+] ZINC000423508856 387345946 /nfs/dbraw/zinc/34/59/46/387345946.db2.gz QZGZGFRCLKZPFY-LALPHHSUSA-N 2 0 249.402 1.964 20 0 BDADRP C[C@H](c1cn[nH]c1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423513765 387346855 /nfs/dbraw/zinc/34/68/55/387346855.db2.gz SCSWEWRNEGRPGL-CKYFFXLPSA-N 2 0 222.336 1.387 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000643469343 387427402 /nfs/dbraw/zinc/42/74/02/387427402.db2.gz LZCDFBPHJZYVAS-MNOVXSKESA-N 2 0 245.330 1.805 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000084222677 387440892 /nfs/dbraw/zinc/44/08/92/387440892.db2.gz VRLUZAMIMVJPDT-LPWJVIDDSA-N 2 0 226.364 1.255 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[NH2+]2)C1 ZINC000643505756 387453478 /nfs/dbraw/zinc/45/34/78/387453478.db2.gz GRYPLJCHAMZOKP-SDDRHHMPSA-N 2 0 212.337 1.286 20 0 BDADRP C([NH2+][C@H]1CCC12CCOCC2)[C@@H]1CCC[NH2+]1 ZINC000643505788 387454916 /nfs/dbraw/zinc/45/49/16/387454916.db2.gz PAWXKVOONQLSFH-RYUDHWBXSA-N 2 0 224.348 1.287 20 0 BDADRP Cc1n[nH]cc1[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000643503362 387390504 /nfs/dbraw/zinc/39/05/04/387390504.db2.gz GKZGELOIQDWLNV-SCVCMEIPSA-N 2 0 236.363 1.757 20 0 BDADRP [NH3+]CC(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000423774249 387421742 /nfs/dbraw/zinc/42/17/42/387421742.db2.gz NOVFENIMXOBTRM-UHFFFAOYSA-N 2 0 247.342 1.222 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1COC(C)(C)C1 ZINC000396819761 387500280 /nfs/dbraw/zinc/50/02/80/387500280.db2.gz JGZOUDRWVDAXKR-MNOVXSKESA-N 2 0 214.353 1.484 20 0 BDADRP C[C@H](C[NH2+][C@H]1COC(C)(C)C1)C[NH+]1CCCC1 ZINC000396870043 387505176 /nfs/dbraw/zinc/50/51/76/387505176.db2.gz XBYLSKAMJLQAAK-CHWSQXEVSA-N 2 0 240.391 1.875 20 0 BDADRP [NH3+]C1(CN[C@H]2CCC[NH2+]CC2)CCCCCC1 ZINC000572463933 387513926 /nfs/dbraw/zinc/51/39/26/387513926.db2.gz AWIAYRWRFBBWIX-ZDUSSCGKSA-N 2 0 239.407 1.770 20 0 BDADRP C(CN1CCO[C@@H](C2CC2)C1)C[NH+]1CCCC1 ZINC000375334780 387527134 /nfs/dbraw/zinc/52/71/34/387527134.db2.gz YDYKQLMEKROMRB-CQSZACIVSA-N 2 0 238.375 1.583 20 0 BDADRP CC[C@@H]([NH2+][C@H]1CC[C@@H](CO)CC1)[C@@H]1CCC[NH2+]1 ZINC000643471043 387478035 /nfs/dbraw/zinc/47/80/35/387478035.db2.gz PKZGIRJODPOWMZ-RQJABVFESA-N 2 0 240.391 1.658 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@H]2CC[C@@H](CO)CC2)CC1 ZINC000643471027 387478196 /nfs/dbraw/zinc/47/81/96/387478196.db2.gz OIIYUNILSAGCSE-LCKMOKORSA-N 2 0 240.391 1.645 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000643470985 387478218 /nfs/dbraw/zinc/47/82/18/387478218.db2.gz DIRPBVWDSLQMJO-MQYQWHSLSA-N 2 0 240.391 1.645 20 0 BDADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCC[NH2+]C1CC1 ZINC000643508061 387482022 /nfs/dbraw/zinc/48/20/22/387482022.db2.gz HQTBSHCMDFAFJV-JSGCOSHPSA-N 2 0 239.407 1.639 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000352791399 387486424 /nfs/dbraw/zinc/48/64/24/387486424.db2.gz ZODOIPRMUCZGNW-BZPMIXESSA-N 2 0 240.391 1.610 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]CCC[NH2+]C(C)C)C1 ZINC000643508406 387490950 /nfs/dbraw/zinc/49/09/50/387490950.db2.gz DPZSSGDZILCUJY-QWHCGFSZSA-N 2 0 228.380 1.922 20 0 BDADRP c1cn(CC[N@@H+]2CCCO[C@@H]3CCC[C@H]32)cn1 ZINC000362181334 387582594 /nfs/dbraw/zinc/58/25/94/387582594.db2.gz RPQIYCDJIBHTKJ-CHWSQXEVSA-N 2 0 235.331 1.527 20 0 BDADRP CC[C@H]([NH2+]C1CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000422715517 387628548 /nfs/dbraw/zinc/62/85/48/387628548.db2.gz SFHRPIVRUGIIAC-RYUDHWBXSA-N 2 0 212.337 1.286 20 0 BDADRP CC(C)C[C@H](CN)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000643511197 387591821 /nfs/dbraw/zinc/59/18/21/387591821.db2.gz OYLYEDZOWGQICJ-GXTWGEPZSA-N 2 0 241.423 1.680 20 0 BDADRP C[C@@H]([NH2+]CC1(CO)CCCC1)[C@H]1CCC[NH2+]1 ZINC000400742968 387594917 /nfs/dbraw/zinc/59/49/17/387594917.db2.gz UANMWXHNQWZZGA-VXGBXAGGSA-N 2 0 226.364 1.269 20 0 BDADRP C[C@H](C[NH+]1CCCCC1)N[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400736112 387595157 /nfs/dbraw/zinc/59/51/57/387595157.db2.gz RSVWBQZQMZQGIB-MCIONIFRSA-N 2 0 239.407 1.591 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)[C@@H]([NH3+])C2CCC2)c1 ZINC000422534550 387595270 /nfs/dbraw/zinc/59/52/70/387595270.db2.gz BGKOHDFMKZJASX-ZDUSSCGKSA-N 2 0 247.342 1.472 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)[C@@H]([NH3+])C2CCC2)cc1 ZINC000422544996 387597518 /nfs/dbraw/zinc/59/75/18/387597518.db2.gz VYOZEAGEQPCIIR-LBPRGKRZSA-N 2 0 233.315 1.211 20 0 BDADRP C([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@H]1CCCOC1 ZINC000527532327 387599218 /nfs/dbraw/zinc/59/92/18/387599218.db2.gz MZTJGXATYXJTDM-VXGBXAGGSA-N 2 0 224.348 1.287 20 0 BDADRP [NH3+]C1CCC([NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000527532656 387599839 /nfs/dbraw/zinc/59/98/39/387599839.db2.gz NKSITTBIIRSRKB-HTAVTVPLSA-N 3 0 223.364 1.131 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@H]1CCCc2cccnc21 ZINC000643514863 387599879 /nfs/dbraw/zinc/59/98/79/387599879.db2.gz WAEWTYIJKJCMPG-PWSUYJOCSA-N 2 0 219.332 1.643 20 0 BDADRP C[C@@H]1C[C@H](C)N(C[C@@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000422558482 387600845 /nfs/dbraw/zinc/60/08/45/387600845.db2.gz AUVLXBDILNYKNZ-XJFOESAGSA-N 2 0 239.407 1.291 20 0 BDADRP CC[C@@H]([NH2+]C1CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000422715516 387629190 /nfs/dbraw/zinc/62/91/90/387629190.db2.gz SFHRPIVRUGIIAC-NEPJUHHUSA-N 2 0 212.337 1.286 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](CC[C@@H]2CC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000422637595 387610627 /nfs/dbraw/zinc/61/06/27/387610627.db2.gz OZXCOXLNWNRUJM-RFGFWPKPSA-N 3 0 239.407 1.291 20 0 BDADRP CCOC(=O)CC[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422638737 387611344 /nfs/dbraw/zinc/61/13/44/387611344.db2.gz RHAQRPIDVSTSQP-UTUOFQBUSA-N 2 0 242.363 1.245 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCc1c(F)cccc1F ZINC000422698042 387613222 /nfs/dbraw/zinc/61/32/22/387613222.db2.gz XIBMJZSUPXERST-STQMWFEESA-N 2 0 240.297 1.977 20 0 BDADRP C[C@@H]([NH2+]C[C@H](O)C1CCCCC1)C1C[NH2+]C1 ZINC000422698666 387616579 /nfs/dbraw/zinc/61/65/79/387616579.db2.gz AKHLNVBIHSGBBF-MFKMUULPSA-N 2 0 226.364 1.125 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)C1CCCCC1 ZINC000422702994 387618974 /nfs/dbraw/zinc/61/89/74/387618974.db2.gz MBAGRQVLQCGOJZ-AGIUHOORSA-N 2 0 226.364 1.397 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422707101 387620004 /nfs/dbraw/zinc/62/00/04/387620004.db2.gz GQSZTEYSNAKNNQ-ZDEQEGDKSA-N 2 0 228.380 1.643 20 0 BDADRP CCCC[N@H+](C)CCN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000422707908 387620241 /nfs/dbraw/zinc/62/02/41/387620241.db2.gz IKFQGLSGKGAHLA-KGLIPLIRSA-N 2 0 241.423 1.825 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@H](O)C1CCCCC1 ZINC000422705551 387620888 /nfs/dbraw/zinc/62/08/88/387620888.db2.gz RVXAQDSSUPEPAH-YPMHNXCESA-N 2 0 228.380 1.645 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCCCNc1ccccn1 ZINC000422704247 387621229 /nfs/dbraw/zinc/62/12/29/387621229.db2.gz OZZPOEJSKHEGES-OLZOCXBDSA-N 2 0 248.374 1.743 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000422704429 387621784 /nfs/dbraw/zinc/62/17/84/387621784.db2.gz PQJMJQYOUIWWDM-YNEHKIRRSA-N 2 0 226.364 1.805 20 0 BDADRP CCC[C@@H](O)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422713305 387625017 /nfs/dbraw/zinc/62/50/17/387625017.db2.gz PLNHEPVMMHLGEF-HTAVTVPLSA-N 2 0 214.353 1.255 20 0 BDADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)[C@H](C)OC ZINC000361924916 387552630 /nfs/dbraw/zinc/55/26/30/387552630.db2.gz NQFCBJPZSRAYHZ-FRRDWIJNSA-N 2 0 246.395 1.356 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000122596283 387552985 /nfs/dbraw/zinc/55/29/85/387552985.db2.gz XTNOGULTLXJWDX-LOWDOPEQSA-N 2 0 228.380 1.872 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000305119119 387555595 /nfs/dbraw/zinc/55/55/95/387555595.db2.gz JAVFHMGPNPNBGJ-QSLWVIQJSA-N 2 0 242.407 1.712 20 0 BDADRP CCCC[NH+]1CCC(NC(=O)C[C@@H](C)[NH3+])CC1 ZINC000037607584 387564386 /nfs/dbraw/zinc/56/43/86/387564386.db2.gz HBHPUYMHSMGMRR-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP Cc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)nc1 ZINC000399680620 387566286 /nfs/dbraw/zinc/56/62/86/387566286.db2.gz QJIPFAUCDBQOJT-ZFWWWQNUSA-N 2 0 247.386 1.862 20 0 BDADRP CC(C)[C@H](O)CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000305170937 387569493 /nfs/dbraw/zinc/56/94/93/387569493.db2.gz UGODTCVPVIYRIZ-AAVRWANBSA-N 2 0 242.407 1.712 20 0 BDADRP C[C@@](C[NH3+])(NCc1ccccn1)C1CC1 ZINC000430595541 387631335 /nfs/dbraw/zinc/63/13/35/387631335.db2.gz MUHYJHIOILQBBJ-LBPRGKRZSA-N 2 0 205.305 1.299 20 0 BDADRP Cc1ncsc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422742187 387633277 /nfs/dbraw/zinc/63/32/77/387633277.db2.gz PPGMZJSKCKXGOQ-JGVFFNPUSA-N 2 0 213.350 1.667 20 0 BDADRP CN(C)c1cccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000422720794 387633819 /nfs/dbraw/zinc/63/38/19/387633819.db2.gz TWNSGUKOISNBPX-HIFRSBDPSA-N 2 0 247.386 1.970 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCCn1ccnc1 ZINC000422726929 387635692 /nfs/dbraw/zinc/63/56/92/387635692.db2.gz AVPZUEXPICXSNG-STQMWFEESA-N 2 0 236.363 1.523 20 0 BDADRP COC[C@@H](C)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000124907081 387636977 /nfs/dbraw/zinc/63/69/77/387636977.db2.gz BIUYRWQLVQRLJF-GFCCVEGCSA-N 2 0 228.380 1.733 20 0 BDADRP CC[C@H]([NH2+]CCCOC)[C@@H]1CCC[NH2+]1 ZINC000422729391 387637886 /nfs/dbraw/zinc/63/78/86/387637886.db2.gz HWUWQHDHSRYSFN-QWRGUYRKSA-N 2 0 200.326 1.143 20 0 BDADRP C[C@@H]([NH2+]C[C@]1(C)CCOC1)[C@H]1CCCC[NH2+]1 ZINC000422728326 387639059 /nfs/dbraw/zinc/63/90/59/387639059.db2.gz JBUORPYCKOUSRI-UPJWGTAASA-N 2 0 226.364 1.533 20 0 BDADRP CC[C@@H]1CCCC[N@@H+]1CCN[C@H](C)C[C@H](C)[NH3+] ZINC000422734458 387642788 /nfs/dbraw/zinc/64/27/88/387642788.db2.gz SITVRCNSWJENMW-BFHYXJOUSA-N 2 0 241.423 1.966 20 0 BDADRP C[C@@H](NCC[N@H+](C)C1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000400754897 387644797 /nfs/dbraw/zinc/64/47/97/387644797.db2.gz WRNTZSLFVBYTOQ-OCCSQVGLSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H](NC[C@H](C)[N@H+](C)C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000422741497 387647855 /nfs/dbraw/zinc/64/78/55/387647855.db2.gz ONNBQKKKQUOKAJ-SCRDCRAPSA-N 2 0 239.407 1.589 20 0 BDADRP C[C@H](CN[C@H](C)[C@H]1CCCC[NH2+]1)[N@H+](C)C1CC1 ZINC000422741498 387647983 /nfs/dbraw/zinc/64/79/83/387647983.db2.gz ONNBQKKKQUOKAJ-YRGRVCCFSA-N 2 0 239.407 1.589 20 0 BDADRP CC[NH2+]Cc1cccc(NC(=O)C2(C)C[NH2+]C2)c1 ZINC000422741046 387648426 /nfs/dbraw/zinc/64/84/26/387648426.db2.gz OXSCMRADIFWVHZ-UHFFFAOYSA-N 2 0 247.342 1.344 20 0 BDADRP C[C@H](CCCCO)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000643518215 387650306 /nfs/dbraw/zinc/65/03/06/387650306.db2.gz FOWBEMPVVHXXKT-GFCCVEGCSA-N 2 0 228.380 1.517 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc(CO)c1 ZINC000422747805 387650668 /nfs/dbraw/zinc/65/06/68/387650668.db2.gz ZLPLMWVSFKFEHA-DOMZBBRYSA-N 2 0 248.370 1.657 20 0 BDADRP C[C@@H](CN[C@H]1C[NH2+]CC[C@H]1C)[N@H+](C)C1CC1 ZINC000422747234 387650978 /nfs/dbraw/zinc/65/09/78/387650978.db2.gz YDXHFJXXLXOMHQ-MDZLAQPJSA-N 2 0 225.380 1.057 20 0 BDADRP C[NH+](C)CCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422747928 387651531 /nfs/dbraw/zinc/65/15/31/387651531.db2.gz REQRNZRVOYCWEG-UHFFFAOYSA-N 3 0 213.369 1.045 20 0 BDADRP CC[C@@H](NC[C@H](C)[N@H+](C)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000422746223 387651922 /nfs/dbraw/zinc/65/19/22/387651922.db2.gz WEWVQQOOCRDDPK-YUTCNCBUSA-N 2 0 239.407 1.589 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1CCCCC1 ZINC000422749593 387652639 /nfs/dbraw/zinc/65/26/39/387652639.db2.gz ZVCCDVBQHJNMHU-UBHSHLNASA-N 2 0 240.391 1.909 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000422750338 387655085 /nfs/dbraw/zinc/65/50/85/387655085.db2.gz CTWLYAKQRNDCEE-MGPQQGTHSA-N 2 0 239.407 1.720 20 0 BDADRP C[C@H]([NH2+]CCn1cnc2ccccc21)C1C[NH2+]C1 ZINC000422755299 387657478 /nfs/dbraw/zinc/65/74/78/387657478.db2.gz GPRIVZLHXUUYLV-NSHDSACASA-N 2 0 244.342 1.234 20 0 BDADRP Cc1cc(C)n(CCC[NH2+][C@H]2CCC[C@H]2[NH3+])n1 ZINC000422752910 387659257 /nfs/dbraw/zinc/65/92/57/387659257.db2.gz HUWPAOVYAJCXDW-OLZOCXBDSA-N 2 0 236.363 1.359 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CCOc1ccccc1F ZINC000422756526 387660655 /nfs/dbraw/zinc/66/06/55/387660655.db2.gz LRYLCAJNULOTLT-LLVKDONJSA-N 2 0 240.322 1.922 20 0 BDADRP C[NH+](C)[C@H](CN[C@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000422757856 387661630 /nfs/dbraw/zinc/66/16/30/387661630.db2.gz NDSKSBRZGBLAMX-QLFBSQMISA-N 2 0 247.386 1.759 20 0 BDADRP C[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1)C1C[NH2+]C1 ZINC000422759716 387662638 /nfs/dbraw/zinc/66/26/38/387662638.db2.gz LFHFYRDYKNECRZ-JSGCOSHPSA-N 2 0 248.370 1.035 20 0 BDADRP COCCCCC[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430928838 387664052 /nfs/dbraw/zinc/66/40/52/387664052.db2.gz VMDAJHLCPSYLNF-LBPRGKRZSA-N 2 0 228.380 1.862 20 0 BDADRP CO[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422794277 387695770 /nfs/dbraw/zinc/69/57/70/387695770.db2.gz UARBJPZRCIHBDT-WHOHXGKFSA-N 2 0 214.353 1.659 20 0 BDADRP CSC[C@H](C)[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422764153 387664998 /nfs/dbraw/zinc/66/49/98/387664998.db2.gz URLJKORSICJFGJ-DCAQKATOSA-N 2 0 216.394 1.716 20 0 BDADRP CC[N@@H+]1CCC[C@H]1CN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000422766501 387667969 /nfs/dbraw/zinc/66/79/69/387667969.db2.gz XLQNYODLPBOUSB-FRRDWIJNSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1COc2ccccc2O1)C1C[NH2+]C1 ZINC000422772877 387670429 /nfs/dbraw/zinc/67/04/29/387670429.db2.gz ZERAYLZAKIYXFL-ZYHUDNBSSA-N 2 0 248.326 1.024 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1NCC[NH+]1CCCC1 ZINC000422770155 387670469 /nfs/dbraw/zinc/67/04/69/387670469.db2.gz UKRATVYCCOXEHR-QWHCGFSZSA-N 2 0 225.380 1.332 20 0 BDADRP CC[C@H](NC1CC[NH+](CC)CC1)[C@@H]1CCC[NH2+]1 ZINC000422773714 387671050 /nfs/dbraw/zinc/67/10/50/387671050.db2.gz USQMIDRTQQWPBQ-KBPBESRZSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)[C@@H]1CCC[NH2+]1 ZINC000422775798 387671781 /nfs/dbraw/zinc/67/17/81/387671781.db2.gz CJPFSDRMOHPKLP-RNJOBUHISA-N 2 0 226.364 1.268 20 0 BDADRP C[C@@H]1CCCC[N@@H+]1CCCN[C@H]1CCC[C@@H]1[NH3+] ZINC000422774427 387672393 /nfs/dbraw/zinc/67/23/93/387672393.db2.gz WZFWKUGDTYCBDS-RDBSUJKOSA-N 2 0 239.407 1.720 20 0 BDADRP COCCCCC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431036686 387672687 /nfs/dbraw/zinc/67/26/87/387672687.db2.gz HAFPTUWQRMYGQJ-UHFFFAOYSA-N 2 0 240.391 1.879 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000422780235 387678575 /nfs/dbraw/zinc/67/85/75/387678575.db2.gz JFHOHHWVJGYWCT-BFHYXJOUSA-N 2 0 241.423 1.822 20 0 BDADRP CC(C)[C@@H](O)CC[NH2+][C@H](C)CCC[NH3+] ZINC000422779055 387678910 /nfs/dbraw/zinc/67/89/10/387678910.db2.gz IHEUUGWRIUZUOS-MNOVXSKESA-N 2 0 202.342 1.110 20 0 BDADRP CC(C)CCOCC[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422782414 387680384 /nfs/dbraw/zinc/68/03/84/387680384.db2.gz MWYFTKKWTQUIGF-NEPJUHHUSA-N 2 0 214.353 1.519 20 0 BDADRP CC[C@H](NCCC[NH+]1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422781396 387680824 /nfs/dbraw/zinc/68/08/24/387680824.db2.gz IUPNVWVZFBSMDH-KBPBESRZSA-N 2 0 239.407 1.593 20 0 BDADRP CC(C)CCOCC[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422782416 387680930 /nfs/dbraw/zinc/68/09/30/387680930.db2.gz MWYFTKKWTQUIGF-RYUDHWBXSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000422783702 387682515 /nfs/dbraw/zinc/68/25/15/387682515.db2.gz OTHJOFYAVVKOJX-YVECIDJPSA-N 2 0 240.391 1.907 20 0 BDADRP CC[C@H]([NH2+]CC[C@H](O)C(C)C)[C@H]1CCCC[NH2+]1 ZINC000422788096 387687903 /nfs/dbraw/zinc/68/79/03/387687903.db2.gz VEGRLVWINKUBJK-MJBXVCDLSA-N 2 0 242.407 1.904 20 0 BDADRP Cc1cccc(OC[C@@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)c1 ZINC000422743560 387690052 /nfs/dbraw/zinc/69/00/52/387690052.db2.gz UGLVWQUZFGMPQH-OLZOCXBDSA-N 2 0 248.370 1.960 20 0 BDADRP CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)CCC[NH3+] ZINC000422791528 387693032 /nfs/dbraw/zinc/69/30/32/387693032.db2.gz QGNYSOWXJJRWIA-SDDRHHMPSA-N 2 0 214.353 1.661 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])[C@@H]1CCOC1 ZINC000422791498 387693042 /nfs/dbraw/zinc/69/30/42/387693042.db2.gz QGHHSMUVIJPSAD-XQQFMLRXSA-N 2 0 228.380 1.909 20 0 BDADRP CC[C@@H]([NH2+]CCCCOC)[C@@H]1CCC[NH2+]1 ZINC000422876319 387756181 /nfs/dbraw/zinc/75/61/81/387756181.db2.gz GDSQAIWGKJWMAJ-NEPJUHHUSA-N 2 0 214.353 1.533 20 0 BDADRP C[C@@H]1CCC[N@H+](CCN[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422861985 387743783 /nfs/dbraw/zinc/74/37/83/387743783.db2.gz PGOBPEAJEDUIBY-MGPQQGTHSA-N 2 0 239.407 1.435 20 0 BDADRP C[C@H](N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000422861062 387744233 /nfs/dbraw/zinc/74/42/33/387744233.db2.gz IWPSFOKHDXQSHP-UHXUPSOCSA-N 2 0 237.391 1.342 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2CCC[C@@H]2[NH3+])C[N@@H+]1C1CC1 ZINC000422861763 387744478 /nfs/dbraw/zinc/74/44/78/387744478.db2.gz JNNRUFPINIRTRQ-URBCHYCLSA-N 2 0 223.364 1.081 20 0 BDADRP COc1ccsc1[C@@H](C)NC[C@@H](C)[NH3+] ZINC000643527808 387756215 /nfs/dbraw/zinc/75/62/15/387756215.db2.gz SYJXVBPLCAJRIJ-HTQZYQBOSA-N 2 0 214.334 1.755 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2CCC[C@@H]2C[NH3+])C[N@@H+]1C1CC1 ZINC000422863801 387746698 /nfs/dbraw/zinc/74/66/98/387746698.db2.gz MBHYSJFDLURPIO-NMKXLXIOSA-N 2 0 237.391 1.329 20 0 BDADRP C[C@H](NCC[N@@H+]1CCC[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422871381 387749463 /nfs/dbraw/zinc/74/94/63/387749463.db2.gz ZYKKWJFGZYPKMM-IHRRRGAJSA-N 2 0 239.407 1.448 20 0 BDADRP C[NH+](C)C1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000188726456 387749426 /nfs/dbraw/zinc/74/94/26/387749426.db2.gz CDNGUFMOIZPQQG-ZDUSSCGKSA-N 2 0 226.364 1.582 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000422869935 387749576 /nfs/dbraw/zinc/74/95/76/387749576.db2.gz WVRNIXHOPXEWLO-GRYCIOLGSA-N 3 0 225.380 1.329 20 0 BDADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000422879894 387756416 /nfs/dbraw/zinc/75/64/16/387756416.db2.gz WBSISLKSWHPWSO-OXHZDVMGSA-N 2 0 237.391 1.186 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCCC[C@H]1OC ZINC000422795697 387696967 /nfs/dbraw/zinc/69/69/67/387696967.db2.gz WERYAEGNGOPRDQ-RWMBFGLXSA-N 2 0 244.379 1.288 20 0 BDADRP C(C1CCCC1)[N@@H+]1CC[C@@H](N[C@H]2CC[NH2+]C2)C1 ZINC000422796375 387697882 /nfs/dbraw/zinc/69/78/82/387697882.db2.gz JEKQIWGGQYENJV-UONOGXRCSA-N 2 0 237.391 1.202 20 0 BDADRP COCc1ccccc1C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422799917 387699291 /nfs/dbraw/zinc/69/92/91/387699291.db2.gz AJOZLPICRYOOID-NSHDSACASA-N 2 0 234.343 1.531 20 0 BDADRP C(C1CCCC1)[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+]C2)C1 ZINC000422796373 387699329 /nfs/dbraw/zinc/69/93/29/387699329.db2.gz JEKQIWGGQYENJV-KGLIPLIRSA-N 2 0 237.391 1.202 20 0 BDADRP COC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C(C)C ZINC000400942628 387702523 /nfs/dbraw/zinc/70/25/23/387702523.db2.gz DMAFVNUZHBRDKH-FQUUOJAGSA-N 2 0 240.391 1.635 20 0 BDADRP CC[N@H+](CCN[C@@H](C)[C@@H]1CCC[NH2+]1)C(C)C ZINC000422876684 387755003 /nfs/dbraw/zinc/75/50/03/387755003.db2.gz GHPJUCKDWKNYKV-STQMWFEESA-N 2 0 227.396 1.447 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CC1(CCO)CCCC1 ZINC000422808912 387707609 /nfs/dbraw/zinc/70/76/09/387707609.db2.gz LNJZPKBDDGWGRL-GFCCVEGCSA-N 2 0 228.380 1.646 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000422813901 387712307 /nfs/dbraw/zinc/71/23/07/387712307.db2.gz YXEPZSZBNWFPIF-CHWSQXEVSA-N 3 0 249.402 1.964 20 0 BDADRP CC[C@@H]([NH2+][C@@H](C)CCC[NH3+])C1CCOCC1 ZINC000422813464 387712481 /nfs/dbraw/zinc/71/24/81/387712481.db2.gz RZZIPAAAYUIQNC-WCQYABFASA-N 2 0 228.380 1.909 20 0 BDADRP CCC[N@H+](CC)CCN[C@H]1C[NH2+]CC[C@H]1C ZINC000422818301 387714197 /nfs/dbraw/zinc/71/41/97/387714197.db2.gz GBAFMISQXBYMMS-OLZOCXBDSA-N 2 0 227.396 1.306 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1NCC[NH+]1CCCCC1 ZINC000422814780 387714620 /nfs/dbraw/zinc/71/46/20/387714620.db2.gz WBMPQYICCJVQIP-KBPBESRZSA-N 2 0 239.407 1.722 20 0 BDADRP C[C@H]([NH2+]CCN(C)c1ccccc1)C1C[NH2+]C1 ZINC000422814835 387714948 /nfs/dbraw/zinc/71/49/48/387714948.db2.gz WFHHCINLARTJLI-LBPRGKRZSA-N 2 0 233.359 1.320 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cccc(CO)c1 ZINC000643522433 387718419 /nfs/dbraw/zinc/71/84/19/387718419.db2.gz NAOVSHFCERQLPY-SWLSCSKDSA-N 2 0 248.370 1.972 20 0 BDADRP CC[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cnn(C)c1 ZINC000643522603 387718805 /nfs/dbraw/zinc/71/88/05/387718805.db2.gz PWXRXQRFHCDZCP-CHWSQXEVSA-N 2 0 236.363 1.603 20 0 BDADRP C[C@@H]([NH2+]CCCOC1CCCC1)C1C[NH2+]C1 ZINC000422822937 387720510 /nfs/dbraw/zinc/72/05/10/387720510.db2.gz BZLMWCKNTUBKNX-LLVKDONJSA-N 2 0 226.364 1.533 20 0 BDADRP COCCCCC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422830678 387723542 /nfs/dbraw/zinc/72/35/42/387723542.db2.gz WCHOXZZGJQUXGD-CHWSQXEVSA-N 2 0 228.380 1.781 20 0 BDADRP CC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)C1CC1 ZINC000127774531 387725148 /nfs/dbraw/zinc/72/51/48/387725148.db2.gz IGVAXLXZMSWORQ-GXTWGEPZSA-N 2 0 239.407 1.401 20 0 BDADRP COC1CCC(C[NH2+][C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000422837322 387728676 /nfs/dbraw/zinc/72/86/76/387728676.db2.gz LXKXYXHTOLACMG-TYUFSLCMSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000422835445 387728832 /nfs/dbraw/zinc/72/88/32/387728832.db2.gz IYKBCSLNJTUEBV-AGIUHOORSA-N 3 0 227.396 1.576 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCCc2c1cnn2C ZINC000422838553 387729849 /nfs/dbraw/zinc/72/98/49/387729849.db2.gz XMAQHUMKIQWQLF-HOSYDEDBSA-N 2 0 236.363 1.513 20 0 BDADRP C[C@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)[C@H]1CCC[NH2+]1 ZINC000422841186 387733313 /nfs/dbraw/zinc/73/33/13/387733313.db2.gz VKHMEIBIUJSVBG-XDQVBPFNSA-N 2 0 239.407 1.589 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCO1 ZINC000128068663 387734652 /nfs/dbraw/zinc/73/46/52/387734652.db2.gz BAVRBHCOWLQPJT-MGPQQGTHSA-N 2 0 238.375 1.772 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2[NH3+])C1(C)C ZINC000422848351 387734738 /nfs/dbraw/zinc/73/47/38/387734738.db2.gz JSEPNKCCRSKPSO-VPOLOUISSA-N 2 0 212.337 1.269 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2[NH3+])C1(C)C ZINC000422848352 387735446 /nfs/dbraw/zinc/73/54/46/387735446.db2.gz JSEPNKCCRSKPSO-XWLWVQCSSA-N 2 0 212.337 1.269 20 0 BDADRP CC[C@H](O)CC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422894350 387764178 /nfs/dbraw/zinc/76/41/78/387764178.db2.gz SYFBSPITXQUFSA-GRYCIOLGSA-N 2 0 214.353 1.125 20 0 BDADRP C[C@@H](C[C@@H]1CCCO1)[NH2+]C1CCC([NH3+])CC1 ZINC000422899229 387764395 /nfs/dbraw/zinc/76/43/95/387764395.db2.gz HDAASZXDNIZTIH-WTIISPKJSA-N 2 0 226.364 1.804 20 0 BDADRP CCCCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)[NH3+])C1(C)C ZINC000643527579 387766374 /nfs/dbraw/zinc/76/63/74/387766374.db2.gz OSVKSTPKAZYHHA-QJPTWQEYSA-N 2 0 228.380 1.907 20 0 BDADRP CC[N@@H+]1CCCC[C@H]1CN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422909503 387769075 /nfs/dbraw/zinc/76/90/75/387769075.db2.gz OEZNWYRHNOBTCS-IHRRRGAJSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCc2ccccc21)C1C[NH2+]C1 ZINC000422911452 387769333 /nfs/dbraw/zinc/76/93/33/387769333.db2.gz SVSGLPZRIYXOGB-AAEUAGOBSA-N 2 0 230.355 1.914 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCNC(=O)c1ccccc1 ZINC000422914074 387770842 /nfs/dbraw/zinc/77/08/42/387770842.db2.gz RKSZWYYXYQJKBD-RYUDHWBXSA-N 2 0 249.358 1.132 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CCNC(=O)c1ccccc1 ZINC000422913195 387771526 /nfs/dbraw/zinc/77/15/26/387771526.db2.gz PHRDLXNJXKZVEG-GFCCVEGCSA-N 2 0 249.358 1.133 20 0 BDADRP CCN1CCCC[C@@H]1C[NH2+][C@H](C)CCCC[NH3+] ZINC000422911860 387771807 /nfs/dbraw/zinc/77/18/07/387771807.db2.gz UOQUHBNBBUOJHS-ZIAGYGMSSA-N 2 0 241.423 1.968 20 0 BDADRP CC[C@H](C)N(C)CC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422911509 387772042 /nfs/dbraw/zinc/77/20/42/387772042.db2.gz TXOMICBFFSYXHF-HSBZDZAISA-N 2 0 241.423 1.824 20 0 BDADRP CCn1cc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)cn1 ZINC000422913201 387772054 /nfs/dbraw/zinc/77/20/54/387772054.db2.gz PJIWHJHHWODSPF-AAEUAGOBSA-N 2 0 236.363 1.381 20 0 BDADRP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422921642 387776160 /nfs/dbraw/zinc/77/61/60/387776160.db2.gz OJNVIQBODHQDHY-RWMBFGLXSA-N 2 0 242.407 1.761 20 0 BDADRP CC[C@@H](O)CCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422923676 387776928 /nfs/dbraw/zinc/77/69/28/387776928.db2.gz SLIDEUBUZWQPLX-TUAOUCFPSA-N 2 0 214.353 1.268 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000422932978 387781503 /nfs/dbraw/zinc/78/15/03/387781503.db2.gz CWRMTUAVRJEYGZ-CMPLNLGQSA-N 2 0 236.363 1.894 20 0 BDADRP CS[C@@H](C)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422933547 387781562 /nfs/dbraw/zinc/78/15/62/387781562.db2.gz IAPNBUVTRIKJGZ-AEJSXWLSSA-N 2 0 202.367 1.468 20 0 BDADRP CN(C)C(=O)CCC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422931435 387781684 /nfs/dbraw/zinc/78/16/84/387781684.db2.gz BRTKOBKKBWFLCF-RYUDHWBXSA-N 2 0 241.379 1.104 20 0 BDADRP [NH3+]CC1CCC([NH2+]C[C@@H](O)C(F)(F)F)CC1 ZINC000422935560 387782601 /nfs/dbraw/zinc/78/26/01/387782601.db2.gz KXQRMDKTVCQTHO-AMDVSUOASA-N 2 0 240.269 1.017 20 0 BDADRP CCC1(CC)[C@H]([NH2+][C@H](C)C2C[NH2+]C2)C[C@H]1OC ZINC000422938009 387783282 /nfs/dbraw/zinc/78/32/82/387783282.db2.gz KLXGQNUEUPTVQU-RAIGVLPGSA-N 2 0 240.391 1.778 20 0 BDADRP COC[C@@H]([NH2+]C1CCC(C[NH3+])CC1)C1CC1 ZINC000422936593 387783536 /nfs/dbraw/zinc/78/35/36/387783536.db2.gz MSIFFSPCNJETDC-KGPNIALWSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@H](C[C@@H]1CCCO1)[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000422902243 387787271 /nfs/dbraw/zinc/78/72/71/387787271.db2.gz MKTPOVNBWCGSMQ-LPWJVIDDSA-N 2 0 226.364 1.532 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCSCCCO ZINC000422979543 387788346 /nfs/dbraw/zinc/78/83/46/387788346.db2.gz MZWDHGJMAMUVJU-NWDGAFQWSA-N 2 0 246.420 1.352 20 0 BDADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000422977707 387788891 /nfs/dbraw/zinc/78/88/91/387788891.db2.gz XJIWVLMPDUTPRE-KBPBESRZSA-N 3 0 241.423 1.825 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]CCC2CC(O)C2)CC1 ZINC000432413349 387789059 /nfs/dbraw/zinc/78/90/59/387789059.db2.gz GJZXYUNLUQMVOK-UHFFFAOYSA-N 2 0 240.391 1.610 20 0 BDADRP CC(C)CC[C@](C)(O)C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422983451 387793013 /nfs/dbraw/zinc/79/30/13/387793013.db2.gz ZOIOBLINXACGRI-AGIUHOORSA-N 2 0 230.396 1.889 20 0 BDADRP CC(C)N1CC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])C1=O ZINC000422982795 387793940 /nfs/dbraw/zinc/79/39/40/387793940.db2.gz RJKYTAOXWCNLLH-NWDGAFQWSA-N 2 0 241.379 1.103 20 0 BDADRP C[C@@H]([NH2+]C/C=C/c1ccccc1)C1C[NH2+]C1 ZINC000422983381 387794161 /nfs/dbraw/zinc/79/41/61/387794161.db2.gz ZFWCTSMHDGXXCG-FZKGZDJFSA-N 2 0 216.328 1.897 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NC1CC[NH+](C(C)(C)C)CC1 ZINC000422986780 387795630 /nfs/dbraw/zinc/79/56/30/387795630.db2.gz HIDZAGVAWDWGBS-NWDGAFQWSA-N 2 0 241.423 1.965 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCO[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422986492 387796757 /nfs/dbraw/zinc/79/67/57/387796757.db2.gz HALLYZHLZKIIAN-FVCCEPFGSA-N 2 0 226.364 1.532 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC1(CCO)CCC1 ZINC000422992611 387800829 /nfs/dbraw/zinc/80/08/29/387800829.db2.gz RPDXAAFVFHUOHY-NWDGAFQWSA-N 2 0 226.364 1.256 20 0 BDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422990967 387801170 /nfs/dbraw/zinc/80/11/70/387801170.db2.gz OVOHPDPJBYVIAW-LPWJVIDDSA-N 2 0 225.380 1.044 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCn1cccn1 ZINC000422993568 387802959 /nfs/dbraw/zinc/80/29/59/387802959.db2.gz RMRQQYFSLCWWFH-VXGBXAGGSA-N 2 0 222.336 1.133 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1CCO[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422998213 387804249 /nfs/dbraw/zinc/80/42/49/387804249.db2.gz VYIDRRVIRZWOHF-XUXIUFHCSA-N 2 0 240.391 1.922 20 0 BDADRP CC(C)(C)C[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423002422 387807385 /nfs/dbraw/zinc/80/73/85/387807385.db2.gz YWRLBAOIQUAGTP-HNGCFSAESA-N 2 0 240.391 1.656 20 0 BDADRP COc1ccc([C@@H]2CCN(C[C@@H](C)[NH3+])C2)cc1 ZINC000442658967 387813513 /nfs/dbraw/zinc/81/35/13/387813513.db2.gz AMQPSZJQMMDHPP-DGCLKSJQSA-N 2 0 234.343 1.832 20 0 BDADRP COc1cccc(C[C@H](C)[NH2+]C2CC[NH2+]CC2)c1 ZINC000422954270 387809963 /nfs/dbraw/zinc/80/99/63/387809963.db2.gz HTQIUACJZCDTKK-LBPRGKRZSA-N 2 0 248.370 1.968 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCc1cccc(F)c1F ZINC000422956838 387809993 /nfs/dbraw/zinc/80/99/93/387809993.db2.gz MEIMCZOTNDVHAA-NEPJUHHUSA-N 2 0 240.297 1.977 20 0 BDADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+][C@@H]1CC[C@@H](C)CC1 ZINC000422955124 387810112 /nfs/dbraw/zinc/81/01/12/387810112.db2.gz IRIVEFQYRXZPOH-QSLWVIQJSA-N 2 0 240.391 1.907 20 0 BDADRP CCOc1ncccc1C[NH2+][C@H](C)CCC[NH3+] ZINC000422961431 387810907 /nfs/dbraw/zinc/81/09/07/387810907.db2.gz BWWPGAXWCXXQKQ-LLVKDONJSA-N 2 0 237.347 1.697 20 0 BDADRP COc1cccnc1N[C@H]1CCn2ccnc2C1 ZINC000527965126 387811096 /nfs/dbraw/zinc/81/10/96/387811096.db2.gz FIXIMVHFOBVUPR-JTQLQIEISA-N 2 0 244.298 1.714 20 0 BDADRP CC(C)[C@H](CN[C@@H]1CCC[C@@H]1[NH3+])[NH+]1CCCC1 ZINC000422965227 387813590 /nfs/dbraw/zinc/81/35/90/387813590.db2.gz OAANIULYFJDDID-MJBXVCDLSA-N 2 0 239.407 1.576 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+] ZINC000422882699 387757550 /nfs/dbraw/zinc/75/75/50/387757550.db2.gz SSLRZJSKYPDBMZ-GHMZBOCLSA-N 2 0 243.395 1.240 20 0 BDADRP COc1cccc2c1CC[C@H]2[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422882847 387757649 /nfs/dbraw/zinc/75/76/49/387757649.db2.gz BDNVYGYGJCVLEJ-QMTHXVAHSA-N 2 0 246.354 1.880 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)[C@H](C(C)C)[C@H](C)[NH3+] ZINC000422882702 387757784 /nfs/dbraw/zinc/75/77/84/387757784.db2.gz SSLRZJSKYPDBMZ-WDEREUQCSA-N 2 0 243.395 1.240 20 0 BDADRP COCCC1(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)CCC1 ZINC000422886861 387759184 /nfs/dbraw/zinc/75/91/84/387759184.db2.gz JUPXUBSBDGGJNW-QWHCGFSZSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)c1cccnc1 ZINC000422889180 387759402 /nfs/dbraw/zinc/75/94/02/387759402.db2.gz OVKBLKXRNAJDOJ-VWYCJHECSA-N 2 0 207.321 1.858 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)[C@H]1CCC[NH2+]1 ZINC000422887634 387761200 /nfs/dbraw/zinc/76/12/00/387761200.db2.gz LDBZJGHUGZUBTD-QNSTZXKLSA-N 2 0 238.375 1.674 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(F)cn1 ZINC000422889166 387761313 /nfs/dbraw/zinc/76/13/13/387761313.db2.gz FJCMJBSYITZUBH-JOYOIKCWSA-N 2 0 223.295 1.438 20 0 BDADRP CCC(O)(CC)C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422972180 387820773 /nfs/dbraw/zinc/82/07/73/387820773.db2.gz KSIGBEMINSCQBX-VXGBXAGGSA-N 2 0 228.380 1.515 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC1(O)CCCCC1 ZINC000422975357 387823301 /nfs/dbraw/zinc/82/33/01/387823301.db2.gz SOTMMBUGFAKNKZ-QWRGUYRKSA-N 2 0 214.353 1.397 20 0 BDADRP C[C@H](CCO)[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422973980 387824619 /nfs/dbraw/zinc/82/46/19/387824619.db2.gz DBICFAUDRQBHGF-MBNYWOFBSA-N 2 0 236.359 1.305 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CC1(CCO)CCCCC1 ZINC000423005896 387828764 /nfs/dbraw/zinc/82/87/64/387828764.db2.gz NMYVLEPIQFLQJY-QWHCGFSZSA-N 2 0 240.391 1.789 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](CO)c1ccccc1 ZINC000423008672 387831651 /nfs/dbraw/zinc/83/16/51/387831651.db2.gz TZHRJEJEEVCZLD-KKUMJFAQSA-N 2 0 248.370 1.480 20 0 BDADRP C[C@H]([NH2+]CC12CCC(CC1)C2)C1C[NH2+]C1 ZINC000423010537 387833661 /nfs/dbraw/zinc/83/36/61/387833661.db2.gz GTYYHTZTQQWMNB-ZBOXLXRLSA-N 2 0 208.349 1.764 20 0 BDADRP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])C1(C)C ZINC000423011607 387834048 /nfs/dbraw/zinc/83/40/48/387834048.db2.gz BCMUUNBWAJCBQQ-HHHUOAJASA-N 2 0 228.380 1.761 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)[C@@H]1CCCCO1 ZINC000643479108 387835902 /nfs/dbraw/zinc/83/59/02/387835902.db2.gz RAILPWMEATYOJL-DGAVXFQQSA-N 2 0 240.391 1.922 20 0 BDADRP Cc1cnccc1CC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000423014288 387836039 /nfs/dbraw/zinc/83/60/39/387836039.db2.gz OSZAQIPXGLEPNZ-KGLIPLIRSA-N 2 0 233.359 1.650 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CC1(CO)CC1 ZINC000643459333 387836305 /nfs/dbraw/zinc/83/63/05/387836305.db2.gz NZNXRPVDMCFLQH-WDEREUQCSA-N 2 0 212.337 1.009 20 0 BDADRP CC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])[C@@H]1CCCO1 ZINC000423012730 387836793 /nfs/dbraw/zinc/83/67/93/387836793.db2.gz LFPVEPWTPTUMDY-USZNOCQGSA-N 2 0 214.353 1.659 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1CCC[C@H]1OC)[C@@H]1CCC[NH2+]1 ZINC000423012876 387837144 /nfs/dbraw/zinc/83/71/44/387837144.db2.gz DWKSGXCJXDHVCK-ZOBORPQBSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCO[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000423015342 387838147 /nfs/dbraw/zinc/83/81/47/387838147.db2.gz KKJDASUSAHUVBU-WISYIIOYSA-N 2 0 212.337 1.284 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCCCC[C@@H]2[NH3+])CCO1 ZINC000423014730 387838829 /nfs/dbraw/zinc/83/88/29/387838829.db2.gz JDZAJNZPLVQFLP-NDBYEHHHSA-N 2 0 226.364 1.804 20 0 BDADRP CC(C)[C@@H](O)C1(C[NH2+][C@H](C)C[C@H](C)[NH3+])CC1 ZINC000423018259 387840171 /nfs/dbraw/zinc/84/01/71/387840171.db2.gz QNSZNGZNKGFHDI-QJPTWQEYSA-N 2 0 228.380 1.499 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)cn1 ZINC000423018914 387840417 /nfs/dbraw/zinc/84/04/17/387840417.db2.gz SKAZJPMEVAGXQO-BXKDBHETSA-N 2 0 239.750 1.952 20 0 BDADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423018725 387841560 /nfs/dbraw/zinc/84/15/60/387841560.db2.gz RZLZJCGRXWLNDJ-REWJHTLYSA-N 2 0 240.391 1.779 20 0 BDADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)CCC[NH3+] ZINC000423017275 387841571 /nfs/dbraw/zinc/84/15/71/387841571.db2.gz OGJCNAGOTCPEJF-IJLUTSLNSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NCC[C@H](C)[NH+]1CCCCC1 ZINC000423026833 387844144 /nfs/dbraw/zinc/84/41/44/387844144.db2.gz CEBJZNVAWUKFTC-IHRRRGAJSA-N 2 0 241.423 1.966 20 0 BDADRP CC1=CCN(CC[NH2+][C@@H](C)CCC[NH3+])CC1 ZINC000423029960 387845827 /nfs/dbraw/zinc/84/58/27/387845827.db2.gz AWDSIFWIVUXAMT-ZDUSSCGKSA-N 2 0 225.380 1.355 20 0 BDADRP CC[C@@H]([NH2+]CC1(CO)CCC1)[C@@H]1CCC[NH2+]1 ZINC000423029298 387846608 /nfs/dbraw/zinc/84/66/08/387846608.db2.gz IAQDOZJBCBJNIK-NEPJUHHUSA-N 2 0 226.364 1.269 20 0 BDADRP CC[C@H]([NH2+]CC[C@H]1CCCO1)[C@@H]1CCC[NH2+]1 ZINC000643459666 387849023 /nfs/dbraw/zinc/84/90/23/387849023.db2.gz MBUMHAGPNBFBDM-AGIUHOORSA-N 2 0 226.364 1.676 20 0 BDADRP CC[C@@H]([NH2+]CC[C@H]1CCOC1)[C@@H]1CCC[NH2+]1 ZINC000423031962 387849647 /nfs/dbraw/zinc/84/96/47/387849647.db2.gz LVWWDZDFZQUXMG-XQQFMLRXSA-N 2 0 226.364 1.533 20 0 BDADRP CC(C)(C)[C@@H](CCO)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423038197 387850402 /nfs/dbraw/zinc/85/04/02/387850402.db2.gz NXMZVTSYIKWLJB-ZGVCCVRISA-N 2 0 240.391 1.656 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H](C(C)C)C1CC1 ZINC000629529366 387874018 /nfs/dbraw/zinc/87/40/18/387874018.db2.gz APSTWCMEAWIGGB-GFCCVEGCSA-N 2 0 214.353 1.247 20 0 BDADRP CC1=CC[N@H+](CCN[C@@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000423038795 387852701 /nfs/dbraw/zinc/85/27/01/387852701.db2.gz PCHZKHFUSLQBTD-KBPBESRZSA-N 2 0 237.391 1.369 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](CCO)C(C)(C)C ZINC000423041158 387854820 /nfs/dbraw/zinc/85/48/20/387854820.db2.gz WGFMUNZZNLDVIH-GARJFASQSA-N 2 0 216.369 1.499 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC[C@@H]1CCCCO1 ZINC000423043583 387854935 /nfs/dbraw/zinc/85/49/35/387854935.db2.gz PDZSDXADORFORR-SRVKXCTJSA-N 2 0 214.353 1.661 20 0 BDADRP CSCCC[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193607786 387857469 /nfs/dbraw/zinc/85/74/69/387857469.db2.gz MDMXKUUCZVKCDB-PHIMTYICSA-N 2 0 214.378 1.233 20 0 BDADRP C[C@H](C[NH+]1CCCCCC1)N[C@@H](C)C[C@H](C)[NH3+] ZINC000423050916 387860486 /nfs/dbraw/zinc/86/04/86/387860486.db2.gz MHTUIFXOHKPYGV-MELADBBJSA-N 2 0 241.423 1.966 20 0 BDADRP CC[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cnn(C)c1 ZINC000643535056 387861190 /nfs/dbraw/zinc/86/11/90/387861190.db2.gz IIIWZNNVLWEKTH-STQMWFEESA-N 2 0 248.374 1.603 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643535099 387861551 /nfs/dbraw/zinc/86/15/51/387861551.db2.gz IZQFQLCAKCOYDK-HBNTYKKESA-N 2 0 212.337 1.142 20 0 BDADRP C[C@H](O)CCC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000433080255 387861670 /nfs/dbraw/zinc/86/16/70/387861670.db2.gz ASKGRZNVWFRLTD-LBPRGKRZSA-N 2 0 242.407 2.000 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CC1(CO)CCCC1 ZINC000423054170 387862482 /nfs/dbraw/zinc/86/24/82/387862482.db2.gz UACXRYIBCAFPIW-WDEREUQCSA-N 2 0 212.337 1.009 20 0 BDADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643536758 387862559 /nfs/dbraw/zinc/86/25/59/387862559.db2.gz WHECPWZGGISSNK-XBFCOCLRSA-N 2 0 249.402 1.201 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC23CC[NH2+]CC3)[C@@H](C)O1 ZINC000643535370 387863068 /nfs/dbraw/zinc/86/30/68/387863068.db2.gz CSDJAZHAECUFMW-WYUUTHIRSA-N 2 0 224.348 1.284 20 0 BDADRP C[C@@H](NCC1([NH+](C)C)CCC1)c1c[nH+]ccc1N ZINC000423060059 387864301 /nfs/dbraw/zinc/86/43/01/387864301.db2.gz NIONSIUTFMZJAF-LLVKDONJSA-N 2 0 248.374 1.629 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1NCC1([NH+](C)C)CCC1 ZINC000423059448 387864561 /nfs/dbraw/zinc/86/45/61/387864561.db2.gz LROBXBFALURHHI-STQMWFEESA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)[C@H]1CCC[NH2+]1 ZINC000423059429 387865188 /nfs/dbraw/zinc/86/51/88/387865188.db2.gz FSMFAUAJNUNREL-LOWDOPEQSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NCC1([NH+](C)C)CCC1 ZINC000423063121 387866759 /nfs/dbraw/zinc/86/67/59/387866759.db2.gz VNGLZRGTHRVOBQ-WDEREUQCSA-N 2 0 213.369 1.186 20 0 BDADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@H](C[NH3+])C(C)C ZINC000433121657 387867304 /nfs/dbraw/zinc/86/73/04/387867304.db2.gz SOJBBHBHFNXYQL-YPMHNXCESA-N 2 0 243.395 1.097 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCC(C)(C)O ZINC000423064113 387867830 /nfs/dbraw/zinc/86/78/30/387867830.db2.gz QLWBGTGPLRCGTC-GHMZBOCLSA-N 2 0 214.353 1.125 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000423066548 387869049 /nfs/dbraw/zinc/86/90/49/387869049.db2.gz XAJHJONNXFLHIG-YIYPIFLZSA-N 2 0 240.391 1.515 20 0 BDADRP CO[C@H]1CC[C@H]([NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000423066431 387869180 /nfs/dbraw/zinc/86/91/80/387869180.db2.gz DOQZEWSXLYRVNA-TYUFSLCMSA-N 2 0 226.364 1.661 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCOC(F)(F)F ZINC000423068451 387869502 /nfs/dbraw/zinc/86/95/02/387869502.db2.gz JVJITIHRNOLIOM-IUCAKERBSA-N 2 0 240.269 1.772 20 0 BDADRP CC[C@H](C)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433131368 387869622 /nfs/dbraw/zinc/86/96/22/387869622.db2.gz KEBPBVXSEVINFX-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP CO[C@@H]1CC[C@@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000423067672 387869915 /nfs/dbraw/zinc/86/99/15/387869915.db2.gz HUFIMZOVQFYRRT-KKOKHZNYSA-N 2 0 212.337 1.284 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCOC(F)(F)F ZINC000423067917 387870033 /nfs/dbraw/zinc/87/00/33/387870033.db2.gz ISWUYWOLHPJKOT-DTWKUNHWSA-N 2 0 240.269 1.501 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCC[C@H]1CCO ZINC000423066549 387870115 /nfs/dbraw/zinc/87/01/15/387870115.db2.gz XAJHJONNXFLHIG-ZOBORPQBSA-N 2 0 240.391 1.515 20 0 BDADRP CC(C)[C@H]([NH2+][C@@H](C)CCC[NH3+])C(C)(C)O ZINC000423069308 387872673 /nfs/dbraw/zinc/87/26/73/387872673.db2.gz DPYBVHJZKDGGFU-QWRGUYRKSA-N 2 0 216.369 1.499 20 0 BDADRP C[C@H]([NH3+])CN1CC[NH+](CCc2ccccc2)CC1 ZINC000442663088 387817635 /nfs/dbraw/zinc/81/76/35/387817635.db2.gz RFCYMFBFUZAVAV-AWEZNQCLSA-N 2 0 247.386 1.194 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000422969730 387818790 /nfs/dbraw/zinc/81/87/90/387818790.db2.gz DKACSLRJIUZNGR-XDQVBPFNSA-N 2 0 238.375 1.685 20 0 BDADRP CCC(CC)(CO)C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423002878 387819344 /nfs/dbraw/zinc/81/93/44/387819344.db2.gz KFWFSSHTSKDJHR-QWRGUYRKSA-N 2 0 216.369 1.501 20 0 BDADRP C[N@H+]1C[C@H]2CN(Cc3ccc(F)nc3)C[C@H]2C1 ZINC000194536238 387890377 /nfs/dbraw/zinc/89/03/77/387890377.db2.gz NDFPFEGBOYJMLT-TXEJJXNPSA-N 2 0 235.306 1.214 20 0 BDADRP COCC[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)C(C)(C)C ZINC000423117599 387897823 /nfs/dbraw/zinc/89/78/23/387897823.db2.gz WERJHRHAEDFTMO-JQWIXIFHSA-N 2 0 228.380 1.635 20 0 BDADRP COCC1(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])CCC1 ZINC000423117074 387897850 /nfs/dbraw/zinc/89/78/50/387897850.db2.gz SUVGTCBJSCTUKQ-MNOVXSKESA-N 2 0 214.353 1.519 20 0 BDADRP CCNC(=O)C1(C[NH2+][C@@H](C)C[C@H](C)[NH3+])CCC1 ZINC000423081223 387875729 /nfs/dbraw/zinc/87/57/29/387875729.db2.gz UQXLBKQMVNWPBB-QWRGUYRKSA-N 2 0 241.379 1.008 20 0 BDADRP CC(C)(CN[C@H]1CCC[C@@H]1[NH3+])C[NH+]1CCCC1 ZINC000423077250 387876055 /nfs/dbraw/zinc/87/60/55/387876055.db2.gz LUCQYNJURSBHAU-STQMWFEESA-N 2 0 239.407 1.578 20 0 BDADRP CC[C@](C)(C[NH2+]C[C@@H]1CCC[N@H+](C)C1)OC ZINC000322502274 387876719 /nfs/dbraw/zinc/87/67/19/387876719.db2.gz GKXVQPKNXTUNFX-QWHCGFSZSA-N 2 0 228.380 1.733 20 0 BDADRP CSC1(C[NH2+][C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000423079811 387877119 /nfs/dbraw/zinc/87/71/19/387877119.db2.gz BAGIZXDIIQSSIX-IUCAKERBSA-N 2 0 200.351 1.351 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCSC1)[C@@H]1CCCC[NH2+]1 ZINC000423088990 387880440 /nfs/dbraw/zinc/88/04/40/387880440.db2.gz UCTBKQQUKXKCMU-UTUOFQBUSA-N 2 0 228.405 1.860 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@H]1CCC[C@@H]1C[NH3+] ZINC000423088199 387881485 /nfs/dbraw/zinc/88/14/85/387881485.db2.gz RGFBSJLPYZZBCX-UPJWGTAASA-N 2 0 227.396 1.434 20 0 BDADRP CCn1cccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c1=O ZINC000423090169 387883134 /nfs/dbraw/zinc/88/31/34/387883134.db2.gz USCBETJXRPTXPS-DGCLKSJQSA-N 2 0 249.358 1.085 20 0 BDADRP CC[C@H](NCC[N@H+]1CC=CCC1)[C@@H]1CCC[NH2+]1 ZINC000423095221 387884556 /nfs/dbraw/zinc/88/45/56/387884556.db2.gz LQPVIEOPKWWEGI-KBPBESRZSA-N 2 0 237.391 1.369 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCCCC[NH+]1CCCC1 ZINC000423140182 387918616 /nfs/dbraw/zinc/91/86/16/387918616.db2.gz XQJLCJRLNNXFNL-KBPBESRZSA-N 3 0 241.423 1.968 20 0 BDADRP CO[C@H](C[NH2+][C@H](C)C[C@@H](C)[NH3+])C1CC1 ZINC000423140209 387918769 /nfs/dbraw/zinc/91/87/69/387918769.db2.gz XTJUASFWGWLQJS-FXPVBKGRSA-N 2 0 200.326 1.127 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1COc2ccccc21 ZINC000423121193 387900321 /nfs/dbraw/zinc/90/03/21/387900321.db2.gz IEICQZGLEVJCFJ-SGMGOOAPSA-N 2 0 246.354 1.880 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1COc2ccccc21 ZINC000423121192 387900702 /nfs/dbraw/zinc/90/07/02/387900702.db2.gz IEICQZGLEVJCFJ-SCRDCRAPSA-N 2 0 246.354 1.880 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCSC1 ZINC000423119245 387900745 /nfs/dbraw/zinc/90/07/45/387900745.db2.gz DKOSXULDXLWZSM-GMTAPVOTSA-N 2 0 214.378 1.599 20 0 BDADRP CCOCC(C)(C)C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423124768 387902182 /nfs/dbraw/zinc/90/21/82/387902182.db2.gz PBLHHJREWYEKDL-QWRGUYRKSA-N 2 0 216.369 1.765 20 0 BDADRP CCC[C@H](C)C(=O)NCC[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423124691 387902196 /nfs/dbraw/zinc/90/21/96/387902196.db2.gz GZXSWHWPLDECNH-QJPTWQEYSA-N 2 0 243.395 1.254 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCC[C@@H](CO)C1)[C@H]1CCC[NH2+]1 ZINC000423125158 387902216 /nfs/dbraw/zinc/90/22/16/387902216.db2.gz NCMWIJAEARGBMI-XJFOESAGSA-N 2 0 240.391 1.515 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@H](CO)CC2CCC2)CC1 ZINC000423124042 387903308 /nfs/dbraw/zinc/90/33/08/387903308.db2.gz FSMZCPDUQNZXJI-RUXDESIVSA-N 2 0 240.391 1.645 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000423130386 387906834 /nfs/dbraw/zinc/90/68/34/387906834.db2.gz SAWFPUQYBWBCAL-UMSGYPCISA-N 2 0 226.364 1.255 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1COc2ccccc21 ZINC000423129658 387907198 /nfs/dbraw/zinc/90/71/98/387907198.db2.gz XMZXCTKTZBSKJN-RTXFEEFZSA-N 2 0 232.327 1.632 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]C[C@@H]1COc2ccccc21 ZINC000423131195 387908911 /nfs/dbraw/zinc/90/89/11/387908911.db2.gz ZOXDNDYQPOSJMR-NWDGAFQWSA-N 2 0 234.343 1.880 20 0 BDADRP C1C[NH2+][C@H]([C@H]2CCC[C@H]2[NH2+][C@H]2CCCOC2)C1 ZINC000423133116 387909099 /nfs/dbraw/zinc/90/90/99/387909099.db2.gz VLLHPIXBQIXUPB-RFQIPJPRSA-N 2 0 238.375 1.676 20 0 BDADRP CC[C@@H]([NH2+]CC[C@@H](C)F)[C@@H]1CCC[NH2+]1 ZINC000423131279 387909137 /nfs/dbraw/zinc/90/91/37/387909137.db2.gz HWLVAMREJSCQKJ-MXWKQRLJSA-N 2 0 202.317 1.855 20 0 BDADRP COc1ncccc1CC[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000423132112 387909487 /nfs/dbraw/zinc/90/94/87/387909487.db2.gz BNQJDYJFNYSNNA-VXGBXAGGSA-N 2 0 235.331 1.102 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)N[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423133162 387909743 /nfs/dbraw/zinc/90/97/43/387909743.db2.gz CHAZPGBTAQKELW-MELADBBJSA-N 2 0 241.423 1.837 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCCF ZINC000423132121 387909969 /nfs/dbraw/zinc/90/99/69/387909969.db2.gz BORCZYCRWRYQGM-QWRGUYRKSA-N 2 0 202.317 1.714 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC1CC(F)(F)C1 ZINC000423131536 387910301 /nfs/dbraw/zinc/91/03/01/387910301.db2.gz OCFUBGUKKXZKIS-HTQZYQBOSA-N 2 0 206.280 1.747 20 0 BDADRP CCC[N@H+](CC)C[C@@H](C)N[C@H]1C[NH2+]CC[C@H]1C ZINC000423135207 387911263 /nfs/dbraw/zinc/91/12/63/387911263.db2.gz FNNZXLABHVHHKD-MCIONIFRSA-N 2 0 241.423 1.694 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1cc[nH]c(=O)c1 ZINC000423138215 387916558 /nfs/dbraw/zinc/91/65/58/387916558.db2.gz SLUNKTJPVQULQG-VHSXEESVSA-N 2 0 223.320 1.565 20 0 BDADRP Cc1cccc2c1OC[C@H]([NH2+][C@@H]1CCC[C@H]1[NH3+])C2 ZINC000423140544 387917503 /nfs/dbraw/zinc/91/75/03/387917503.db2.gz MNMYBLFSAITFJY-MGPQQGTHSA-N 2 0 246.354 1.768 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000423144756 387920261 /nfs/dbraw/zinc/92/02/61/387920261.db2.gz HWFNWFRVCCOKRO-KKOKHZNYSA-N 2 0 214.328 1.984 20 0 BDADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000423163829 387923353 /nfs/dbraw/zinc/92/33/53/387923353.db2.gz NOLWXUKMZJZUCV-FVCCEPFGSA-N 2 0 226.364 1.659 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCC[C@@H]1F)[C@H]1CC[NH2+]C1 ZINC000423147473 387925932 /nfs/dbraw/zinc/92/59/32/387925932.db2.gz SECPRWXSCBYXCF-VPOLOUISSA-N 2 0 200.301 1.465 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)CCCCO)[C@H]1CCC[NH2+]1 ZINC000423149696 387927137 /nfs/dbraw/zinc/92/71/37/387927137.db2.gz AXLIXYVZLMKXNI-QJPTWQEYSA-N 2 0 214.353 1.268 20 0 BDADRP CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000423167251 387951742 /nfs/dbraw/zinc/95/17/42/387951742.db2.gz DXJXVDMEPJYJKR-UTUOFQBUSA-N 2 0 212.337 1.286 20 0 BDADRP C[C@@H]([NH2+]CCC[C@H]1CCOC1)[C@@H]1CCC[NH2+]1 ZINC000423168197 387952545 /nfs/dbraw/zinc/95/25/45/387952545.db2.gz XPRADVCYWJSPAB-AGIUHOORSA-N 2 0 226.364 1.533 20 0 BDADRP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000423167962 387952612 /nfs/dbraw/zinc/95/26/12/387952612.db2.gz SXMLKLHMEIPSFY-WRWGMCAJSA-N 2 0 214.353 1.659 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000423167688 387952628 /nfs/dbraw/zinc/95/26/28/387952628.db2.gz FNLGDWYABZEKRM-LBPRGKRZSA-N 3 0 246.358 1.941 20 0 BDADRP CC/C=C/C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423157327 387937566 /nfs/dbraw/zinc/93/75/66/387937566.db2.gz MORANAVIZTXPDF-FOSLFWNOSA-N 2 0 238.375 1.699 20 0 BDADRP C[C@H]1CC[NH2+]C[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000423158421 387938680 /nfs/dbraw/zinc/93/86/80/387938680.db2.gz WSYPEUIDKOUVIX-APYLGABCSA-N 2 0 237.391 1.199 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000423159095 387939246 /nfs/dbraw/zinc/93/92/46/387939246.db2.gz FHNVTBUHVFCCAJ-SDDRHHMPSA-N 2 0 214.353 1.661 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)C[C@H](C)[NH3+])c1 ZINC000424229651 387940159 /nfs/dbraw/zinc/94/01/59/387940159.db2.gz ZOWZCQICYLRHQJ-VIFPVBQESA-N 2 0 221.304 1.130 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCO1 ZINC000423160037 387942146 /nfs/dbraw/zinc/94/21/46/387942146.db2.gz QHZLLDGSUBSZRG-UTUOFQBUSA-N 2 0 212.337 1.273 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000423161759 387943632 /nfs/dbraw/zinc/94/36/32/387943632.db2.gz JNYMTTYZXZOIHJ-NEPJUHHUSA-N 3 0 227.396 1.576 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCOCC1CCCC1 ZINC000423161828 387943721 /nfs/dbraw/zinc/94/37/21/387943721.db2.gz JTMZIVQVNNQEEW-RYUDHWBXSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NCC[N@@H+]1CCCC1(C)C ZINC000423162653 387944063 /nfs/dbraw/zinc/94/40/63/387944063.db2.gz LKITXLDMQYUPOZ-NWDGAFQWSA-N 2 0 227.396 1.576 20 0 BDADRP CC[C@H]([NH2+]CC(C)(C)C(C)(C)O)[C@@H]1CCC[NH2+]1 ZINC000423163959 387946215 /nfs/dbraw/zinc/94/62/15/387946215.db2.gz RWVOBZSPWIDNNX-RYUDHWBXSA-N 2 0 242.407 1.904 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000423163117 387946675 /nfs/dbraw/zinc/94/66/75/387946675.db2.gz QTEPXAWQKDQFSW-KXNHARMFSA-N 2 0 212.337 1.007 20 0 BDADRP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423165445 387948291 /nfs/dbraw/zinc/94/82/91/387948291.db2.gz XXTJBVLGEKRCCY-QJPTWQEYSA-N 2 0 228.380 1.514 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[NH3+])C12CCC2 ZINC000423165225 387948478 /nfs/dbraw/zinc/94/84/78/387948478.db2.gz AUXQUBCEJSMQHF-WISYIIOYSA-N 2 0 224.348 1.413 20 0 BDADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000423164676 387948947 /nfs/dbraw/zinc/94/89/47/387948947.db2.gz OSOIMYLURCYHLX-FQUUOJAGSA-N 2 0 240.391 1.920 20 0 BDADRP Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])nc1C ZINC000423165899 387950239 /nfs/dbraw/zinc/95/02/39/387950239.db2.gz BRRXGZOUJRHHKK-MNOVXSKESA-N 2 0 221.348 1.914 20 0 BDADRP COCC1(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)CCCC1 ZINC000423166239 387950426 /nfs/dbraw/zinc/95/04/26/387950426.db2.gz RBCCVXNXBXNZLW-OLZOCXBDSA-N 2 0 240.391 1.923 20 0 BDADRP COCC1(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])CCCC1 ZINC000423166184 387950459 /nfs/dbraw/zinc/95/04/59/387950459.db2.gz QUVRZTLDGUOGBF-QWHCGFSZSA-N 2 0 240.391 1.910 20 0 BDADRP CC[C@@H]([NH2+]C[C@@H]1CCCC[C@H]1O)[C@@H]1CCC[NH2+]1 ZINC000423165821 387950695 /nfs/dbraw/zinc/95/06/95/387950695.db2.gz UXZGAVJDUAELRF-RFQIPJPRSA-N 2 0 240.391 1.658 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000423166673 387950784 /nfs/dbraw/zinc/95/07/84/387950784.db2.gz VRLUZAMIMVJPDT-MROQNXINSA-N 2 0 226.364 1.255 20 0 BDADRP COCC[C@H](C)C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000423172453 387959460 /nfs/dbraw/zinc/95/94/60/387959460.db2.gz SYZYMNWRSYNGIA-AVGNSLFASA-N 2 0 228.380 1.637 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000423172446 387959880 /nfs/dbraw/zinc/95/98/80/387959880.db2.gz SYCKXIODLJABKH-JSGCOSHPSA-N 3 0 244.342 1.551 20 0 BDADRP C(C[NH2+][C@H]1CCC12CCC2)CN1CC[NH2+]CC1 ZINC000423186481 387972130 /nfs/dbraw/zinc/97/21/30/387972130.db2.gz OJYSZLMAUIHQBZ-ZDUSSCGKSA-N 2 0 237.391 1.204 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2([NH3+])CCCCC2)[C@H](C)O1 ZINC000423176604 387961899 /nfs/dbraw/zinc/96/18/99/387961899.db2.gz HGDWZIFVHBZAJI-GRYCIOLGSA-N 2 0 226.364 1.804 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@@H]1CCC[NH2+]C1 ZINC000423178650 387964115 /nfs/dbraw/zinc/96/41/15/387964115.db2.gz CIPPMMLKEVAPBU-FDYHWXHSSA-N 2 0 225.380 1.057 20 0 BDADRP CCOC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH2+]CC1 ZINC000423178713 387964179 /nfs/dbraw/zinc/96/41/79/387964179.db2.gz GLSIEARRKQVNDS-WCQYABFASA-N 2 0 226.364 1.533 20 0 BDADRP C[N@@H+]1CC[C@H](N[C@@H]2CCC[NH2+]C2)[C@H]2CCC[C@@H]21 ZINC000423180074 387966091 /nfs/dbraw/zinc/96/60/91/387966091.db2.gz DYJPYWUVRHCKHM-MQYQWHSLSA-N 2 0 237.391 1.201 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000423179719 387966629 /nfs/dbraw/zinc/96/66/29/387966629.db2.gz JVCLDKRTELVFPO-XKNYDFJKSA-N 2 0 202.367 1.596 20 0 BDADRP C[C@@H]([NH2+]CCC[NH3+])c1cnn(C2CCCC2)c1 ZINC000423184799 387969809 /nfs/dbraw/zinc/96/98/09/387969809.db2.gz IQZIBZKZIKVSNH-LLVKDONJSA-N 2 0 236.363 1.998 20 0 BDADRP [NH3+]CCC[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000423184737 387969871 /nfs/dbraw/zinc/96/98/71/387969871.db2.gz INUFQUKJMVKSNF-GFCCVEGCSA-N 2 0 220.316 1.319 20 0 BDADRP C[N@H+](CC[C@H]1CCC[NH+]1C)[C@H]1CCSC1 ZINC000245704429 387974656 /nfs/dbraw/zinc/97/46/56/387974656.db2.gz YFDRDLDEPYSRBN-NEPJUHHUSA-N 2 0 228.405 1.908 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CS1 ZINC000423191434 387976614 /nfs/dbraw/zinc/97/66/14/387976614.db2.gz SWQIIHLMSRLROL-LAVVOLMRSA-N 2 0 226.389 1.753 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000423201217 387987672 /nfs/dbraw/zinc/98/76/72/387987672.db2.gz OBRUFALNVHRTNZ-UPJWGTAASA-N 2 0 238.375 1.533 20 0 BDADRP C1C[C@@H]([C@H]2CCCC[NH2+]2)[C@@H](N[C@H]2CC[NH2+]C2)C1 ZINC000423206746 387990886 /nfs/dbraw/zinc/99/08/86/387990886.db2.gz CUVQIXFCDNVPEE-FQUUOJAGSA-N 2 0 237.391 1.249 20 0 BDADRP CC[C@@H]1CCCC[C@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000423207154 387991605 /nfs/dbraw/zinc/99/16/05/387991605.db2.gz RGXIJYMTHPUVGR-ZIAGYGMSSA-N 2 0 239.407 1.450 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424368697 387991696 /nfs/dbraw/zinc/99/16/96/387991696.db2.gz AEURYBXOVOJKQA-QJPTWQEYSA-N 3 0 213.369 1.363 20 0 BDADRP C(CN1CC[NH2+]CC1)[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000423206348 387992255 /nfs/dbraw/zinc/99/22/55/387992255.db2.gz QNBBOTZXQWFNIW-ZIAGYGMSSA-N 2 0 237.391 1.060 20 0 BDADRP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CCN2CC[NH2+]CC2)C1 ZINC000423210147 387993790 /nfs/dbraw/zinc/99/37/90/387993790.db2.gz VYQAJBCROSQCHT-RDBSUJKOSA-N 2 0 239.407 1.306 20 0 BDADRP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CCN2CC[NH2+]CC2)C1 ZINC000423210146 387994201 /nfs/dbraw/zinc/99/42/01/387994201.db2.gz VYQAJBCROSQCHT-MGPQQGTHSA-N 2 0 239.407 1.306 20 0 BDADRP CCOC(=O)C1(C)CCC([NH2+]CCC[NH3+])CC1 ZINC000423197540 387983570 /nfs/dbraw/zinc/98/35/70/387983570.db2.gz ZUOJQTLSULIFGC-UHFFFAOYSA-N 2 0 242.363 1.437 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H](C)[C@H](OC)c1ccccc1 ZINC000423197843 387984281 /nfs/dbraw/zinc/98/42/81/387984281.db2.gz BLXBPUNAOHKQGM-JSGCOSHPSA-N 2 0 236.359 1.962 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000423199317 387985439 /nfs/dbraw/zinc/98/54/39/387985439.db2.gz JQUJDVXILLNSPE-VXGBXAGGSA-N 2 0 228.380 1.778 20 0 BDADRP COCCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424370968 387997193 /nfs/dbraw/zinc/99/71/93/387997193.db2.gz FKXOKNRBVBJFGR-QJPTWQEYSA-N 2 0 214.353 1.661 20 0 BDADRP CC[N@@H+]1C[C@H](C)[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000423216103 387997666 /nfs/dbraw/zinc/99/76/66/387997666.db2.gz PLCPOCSXHZXXPX-BEUHCMRWSA-N 2 0 237.391 1.199 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000424375415 387999330 /nfs/dbraw/zinc/99/93/30/387999330.db2.gz NBTJCQZACCZERZ-XJFOESAGSA-N 3 0 237.391 1.473 20 0 BDADRP CC(C)CCOCC[N@H+](C)CC(C)(C)C[NH3+] ZINC000086638432 135091635 /nfs/dbraw/zinc/09/16/35/135091635.db2.gz NJWNLEFJTKKGPH-UHFFFAOYSA-N 2 0 230.396 1.966 20 0 BDADRP CC[C@H]([NH2+]CC[C@H](C)[NH3+])c1cnn(C)c1 ZINC000423227597 388011371 /nfs/dbraw/zinc/01/13/71/388011371.db2.gz WHQDQOCHPSDTFE-ONGXEEELSA-N 2 0 210.325 1.198 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000423228404 388013869 /nfs/dbraw/zinc/01/38/69/388013869.db2.gz ZLZHICYQMQXHPZ-IGQOVBAYSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccco1 ZINC000423252007 388032857 /nfs/dbraw/zinc/03/28/57/388032857.db2.gz SUKJAYYKTUDFQU-GHMZBOCLSA-N 2 0 208.305 1.930 20 0 BDADRP C[NH2+]C[C@H](C)CN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423256217 388036515 /nfs/dbraw/zinc/03/65/15/388036515.db2.gz BMRUKDJPVWUVJM-GUTXKFCHSA-N 2 0 249.402 1.390 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+]C1CCC(COC)CC1 ZINC000423256567 388036723 /nfs/dbraw/zinc/03/67/23/388036723.db2.gz CAFMQCANKRPKPH-PNESKVBLSA-N 2 0 228.380 1.637 20 0 BDADRP C[C@@H](N[C@@H](C[NH3+])C1CCCCC1)[C@H]1CCC[NH2+]1 ZINC000423258627 388038443 /nfs/dbraw/zinc/03/84/43/388038443.db2.gz CDWPYUOJIKYDTQ-BNOWGMLFSA-N 2 0 239.407 1.624 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000082645468 388038949 /nfs/dbraw/zinc/03/89/49/388038949.db2.gz ZKEQNRKDKINRNH-VXGBXAGGSA-N 2 0 219.332 1.641 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)C1CCOCC1 ZINC000423261878 388040086 /nfs/dbraw/zinc/04/00/86/388040086.db2.gz TTXZPRGONUEAHS-CHWSQXEVSA-N 2 0 240.391 1.781 20 0 BDADRP CC(C)C[C@H](C[NH3+])N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000423262886 388040918 /nfs/dbraw/zinc/04/09/18/388040918.db2.gz NPWWXQQTTWOGQB-MGPQQGTHSA-N 2 0 239.407 1.576 20 0 BDADRP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCc2ccccc2OC1 ZINC000423264504 388041742 /nfs/dbraw/zinc/04/17/42/388041742.db2.gz CCTAQHSRTPSENB-UONOGXRCSA-N 2 0 248.370 1.953 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1[C@H](C)[C@H](OC)C1(C)C ZINC000423266175 388043782 /nfs/dbraw/zinc/04/37/82/388043782.db2.gz CYJIOESYAFTMEY-YFKTTZPYSA-N 2 0 228.380 1.491 20 0 BDADRP Cn1nccc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446886005 388043875 /nfs/dbraw/zinc/04/38/75/388043875.db2.gz DAEMXWXZTJPHTO-UHFFFAOYSA-N 2 0 248.374 1.384 20 0 BDADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000423265244 388044049 /nfs/dbraw/zinc/04/40/49/388044049.db2.gz CRPZCCNKVGEYQS-QNWHQSFQSA-N 2 0 225.380 1.044 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@H](COC)C1CCCC1 ZINC000423269938 388026686 /nfs/dbraw/zinc/02/66/86/388026686.db2.gz HKALGWFXLHNUSM-WCQYABFASA-N 2 0 228.380 1.637 20 0 BDADRP C[C@@H](NC[C@H]([NH3+])c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000423244551 388027695 /nfs/dbraw/zinc/02/76/95/388027695.db2.gz HRSQNVZJZVXTPU-VHDGCEQUSA-N 2 0 247.386 1.807 20 0 BDADRP CC[C@H](C)[NH2+][C@H]1CCCN(CCCO)C1 ZINC000453275551 388029775 /nfs/dbraw/zinc/02/97/75/388029775.db2.gz WYQMJBHGKNDIQY-RYUDHWBXSA-N 2 0 214.353 1.221 20 0 BDADRP Cn1ncc2c1CCC[C@@H]2[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423246036 388030604 /nfs/dbraw/zinc/03/06/04/388030604.db2.gz JRCFLLHVRCSJGT-AAEUAGOBSA-N 2 0 248.374 1.387 20 0 BDADRP CC[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccn(C)n1 ZINC000423249057 388031460 /nfs/dbraw/zinc/03/14/60/388031460.db2.gz OECHOEUGUAWHBO-NEPJUHHUSA-N 2 0 236.363 1.460 20 0 BDADRP CC[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423272073 388051195 /nfs/dbraw/zinc/05/11/95/388051195.db2.gz JQWOEWFHGFNGRR-MCIONIFRSA-N 3 0 239.407 1.496 20 0 BDADRP CC[C@@](C)(O)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000083462129 388053039 /nfs/dbraw/zinc/05/30/39/388053039.db2.gz XBVDHGCKNRCOMM-CYBMUJFWSA-N 2 0 228.380 1.610 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCCc2c1cnn2C ZINC000423273564 388053877 /nfs/dbraw/zinc/05/38/77/388053877.db2.gz LDAYVGPPGHDSGF-CMPLNLGQSA-N 2 0 236.363 1.243 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCCC[C@H]2O)CC[N@@H+]1C ZINC000453348619 388054146 /nfs/dbraw/zinc/05/41/46/388054146.db2.gz FVDNQNUPZUIZCM-IGQOVBAYSA-N 2 0 240.391 1.610 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000423278576 388060176 /nfs/dbraw/zinc/06/01/76/388060176.db2.gz QWQIYTSIQSUZRF-CYZMBNFOSA-N 2 0 225.380 1.042 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423281993 388063900 /nfs/dbraw/zinc/06/39/00/388063900.db2.gz VQOGWZBXOPCZST-BFHYXJOUSA-N 2 0 233.359 1.704 20 0 BDADRP C[NH2+]C[C@H](C)CN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000423284721 388067348 /nfs/dbraw/zinc/06/73/48/388067348.db2.gz YXEBIYSAICNFCG-QJPTWQEYSA-N 2 0 213.369 1.092 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)Cc1ccoc1 ZINC000423285741 388068270 /nfs/dbraw/zinc/06/82/70/388068270.db2.gz ZYIVDOCFYYMSNG-WDEREUQCSA-N 2 0 210.321 1.656 20 0 BDADRP C[C@H]1CC[C@H](C)[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000084048027 388069621 /nfs/dbraw/zinc/06/96/21/388069621.db2.gz LQLUBQNFGDQOKT-STQMWFEESA-N 2 0 225.380 1.012 20 0 BDADRP C[C@@H]1CC[C@H](C)[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000084048024 388071104 /nfs/dbraw/zinc/07/11/04/388071104.db2.gz LQLUBQNFGDQOKT-OLZOCXBDSA-N 2 0 225.380 1.012 20 0 BDADRP CCC([NH3+])(CC)C[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000423288343 388073706 /nfs/dbraw/zinc/07/37/06/388073706.db2.gz RTPYHRZIJWVNPD-VXGBXAGGSA-N 2 0 228.380 1.909 20 0 BDADRP CC(C)OCCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000084215796 388073872 /nfs/dbraw/zinc/07/38/72/388073872.db2.gz OFTVTCAOYWIPSP-OLZOCXBDSA-N 2 0 228.380 1.909 20 0 BDADRP CC(C)([NH3+])C[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000423289216 388074442 /nfs/dbraw/zinc/07/44/42/388074442.db2.gz WMLPBSOKPMIHHS-FRRDWIJNSA-N 2 0 240.391 1.909 20 0 BDADRP CCC([NH3+])(CC)C[NH2+][C@@H](COC)C(C)C ZINC000423289727 388074833 /nfs/dbraw/zinc/07/48/33/388074833.db2.gz XWXPUMYOBUNEGR-NSHDSACASA-N 2 0 216.369 1.765 20 0 BDADRP COCCN(C)CC[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000084469342 388077942 /nfs/dbraw/zinc/07/79/42/388077942.db2.gz HAFXRAXICKSMKV-CHWSQXEVSA-N 2 0 242.407 1.979 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000423296355 388078168 /nfs/dbraw/zinc/07/81/68/388078168.db2.gz YXVVXVXIQLPXDV-NEPJUHHUSA-N 3 0 235.375 1.923 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000423296965 388079030 /nfs/dbraw/zinc/07/90/30/388079030.db2.gz ICOJFBMLOXDIKI-XJFOESAGSA-N 2 0 241.423 1.822 20 0 BDADRP C[C@H]1COCC[C@@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453419317 388079913 /nfs/dbraw/zinc/07/99/13/388079913.db2.gz YSEQYSZMHVSOKA-JSGCOSHPSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000086404092 388101315 /nfs/dbraw/zinc/10/13/15/388101315.db2.gz PORCQAOWSBWJEJ-QWHCGFSZSA-N 2 0 219.332 1.750 20 0 BDADRP CC(C)OCCC[NH2+][C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000086495174 388103144 /nfs/dbraw/zinc/10/31/44/388103144.db2.gz YKBLRDCPEFMJQT-QWHCGFSZSA-N 2 0 228.380 1.922 20 0 BDADRP CC[C@H](C)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000086723497 388107570 /nfs/dbraw/zinc/10/75/70/388107570.db2.gz XPSHIPHKYYPWKT-LBPRGKRZSA-N 2 0 228.380 1.862 20 0 BDADRP C[C@@H](C[NH2+][C@H]1CCCOCC1)C[NH+]1CCCC1 ZINC000086874595 388109363 /nfs/dbraw/zinc/10/93/63/388109363.db2.gz AWWTWSWUSLPNAS-KBPBESRZSA-N 2 0 240.391 1.877 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1ccncc1 ZINC000423266534 388045838 /nfs/dbraw/zinc/04/58/38/388045838.db2.gz DEDUXEXQDYOXBU-GHMZBOCLSA-N 2 0 207.321 1.588 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCCC[C@@H]2O)CC[N@@H+]1C ZINC000453338215 388050117 /nfs/dbraw/zinc/05/01/17/388050117.db2.gz FVDNQNUPZUIZCM-CRWXNKLISA-N 2 0 240.391 1.610 20 0 BDADRP COC[C@H]([NH2+]CCC[NH+]1CCCC1)C(C)C ZINC000083399761 388050729 /nfs/dbraw/zinc/05/07/29/388050729.db2.gz MNBPSECKIWKEIN-ZDUSSCGKSA-N 2 0 228.380 1.733 20 0 BDADRP CC[NH+]1CCN([C@H](C)C[NH2+]C[C@@H]2C[C@@H]2C)CC1 ZINC000488468698 388181138 /nfs/dbraw/zinc/18/11/38/388181138.db2.gz SMGQBFCMYKMWTM-MJBXVCDLSA-N 2 0 239.407 1.258 20 0 BDADRP CC[C@@H](CO)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000163989575 388120221 /nfs/dbraw/zinc/12/02/21/388120221.db2.gz DTQVZKCLGPXXKM-XDTLVQLUSA-N 2 0 220.316 1.492 20 0 BDADRP CC(C)(C)[NH2+]CCNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000646050945 388132332 /nfs/dbraw/zinc/13/23/32/388132332.db2.gz USGTWUQWUXNXIB-NSHDSACASA-N 2 0 241.379 1.023 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000449076766 388139722 /nfs/dbraw/zinc/13/97/22/388139722.db2.gz HYIFKYCEDPGGGB-FRRDWIJNSA-N 2 0 244.379 1.110 20 0 BDADRP C[NH+]1CCC2(CC1)C[N@H+](CCCF)CCO2 ZINC000646104601 388143348 /nfs/dbraw/zinc/14/33/48/388143348.db2.gz IATFLISTSQBKTN-UHFFFAOYSA-N 2 0 230.327 1.143 20 0 BDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000449125563 388146095 /nfs/dbraw/zinc/14/60/95/388146095.db2.gz RHRROBOCDAMMMO-GHMZBOCLSA-N 2 0 243.395 1.110 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1COCC1(C)C ZINC000313015203 256533390 /nfs/dbraw/zinc/53/33/90/256533390.db2.gz FISJDJUBDBTWGF-QWRGUYRKSA-N 2 0 214.353 1.519 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)C2([NH3+])CCCC2)c1 ZINC000489493864 388218239 /nfs/dbraw/zinc/21/82/39/388218239.db2.gz GNXUCLQJCCQCFK-UHFFFAOYSA-N 2 0 247.342 1.616 20 0 BDADRP C[C@H](CCC[NH3+])NC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000449573910 388235710 /nfs/dbraw/zinc/23/57/10/388235710.db2.gz UJBSCOLHGKNXNF-NQBHXWOUSA-N 2 0 241.379 1.138 20 0 BDADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)CC1(C[NH3+])CCCCC1 ZINC000449605248 388240735 /nfs/dbraw/zinc/24/07/35/388240735.db2.gz VQGSAOCBWAMDEX-GHMZBOCLSA-N 2 0 241.379 1.138 20 0 BDADRP C[C@H]([N@H+](C)CCC[NH+]1CCCCC1)C(C)(C)O ZINC000451366389 388265999 /nfs/dbraw/zinc/26/59/99/388265999.db2.gz GJXWZOLVOYPKQU-ZDUSSCGKSA-N 2 0 242.407 1.954 20 0 BDADRP Cn1nccc1CC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000300066179 388348327 /nfs/dbraw/zinc/34/83/27/388348327.db2.gz QBMLAGXPFHSJDH-UBHSHLNASA-N 2 0 248.374 1.022 20 0 BDADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000516580276 388356339 /nfs/dbraw/zinc/35/63/39/388356339.db2.gz FNOBWWPJRWKRQF-AAEUAGOBSA-N 3 0 225.380 1.188 20 0 BDADRP COc1ccc([C@H](C)N[C@@H](C)C[NH3+])cc1OC ZINC000234859502 388362385 /nfs/dbraw/zinc/36/23/85/388362385.db2.gz YEDMMRUDZMSTSX-UWVGGRQHSA-N 2 0 238.331 1.702 20 0 BDADRP C[NH+](C)[C@@H]1CCCN(C(=O)CC(C)(C)[NH3+])CC1 ZINC000646467474 388362688 /nfs/dbraw/zinc/36/26/88/388362688.db2.gz OVLAOENGCXPMOE-LLVKDONJSA-N 2 0 241.379 1.057 20 0 BDADRP COc1ccccc1C[C@H](C)[NH2+][C@@H](C)CN ZINC000234908583 388362829 /nfs/dbraw/zinc/36/28/29/388362829.db2.gz WRAPVMHIPPPZGR-QWRGUYRKSA-N 2 0 222.332 1.563 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCOCC1CC1 ZINC000236162749 388378684 /nfs/dbraw/zinc/37/86/84/388378684.db2.gz GMWSAGRMXLCSMO-VXGBXAGGSA-N 2 0 212.337 1.130 20 0 BDADRP CC[NH+](CC)CCCCNC(=O)C(C)(C)C[NH3+] ZINC000236843633 388384498 /nfs/dbraw/zinc/38/44/98/388384498.db2.gz DZTHBSNLQNTYNY-UHFFFAOYSA-N 2 0 243.395 1.210 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000236848412 388385046 /nfs/dbraw/zinc/38/50/46/388385046.db2.gz AZTRSRQPETYLJE-ZDUSSCGKSA-N 2 0 249.358 1.862 20 0 BDADRP C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000300861953 388399598 /nfs/dbraw/zinc/39/95/98/388399598.db2.gz PIUBPIKVNSPJER-SRVKXCTJSA-N 2 0 226.364 1.389 20 0 BDADRP CC(C)[NH2+]CC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000520612807 256676810 /nfs/dbraw/zinc/67/68/10/256676810.db2.gz VGFYAFFLCUAXPK-LBPRGKRZSA-N 2 0 241.379 1.008 20 0 BDADRP c1csc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000335268697 388449011 /nfs/dbraw/zinc/44/90/11/388449011.db2.gz GTTRDRKMWDNZQT-PHIMTYICSA-N 2 0 237.372 1.575 20 0 BDADRP C(C1CCOCC1)[N@@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000336326156 388456047 /nfs/dbraw/zinc/45/60/47/388456047.db2.gz UKIJXEXBRZCLRM-OLZOCXBDSA-N 2 0 224.348 1.239 20 0 BDADRP CC(C)[C@](C)(C[NH3+])[NH2+]CCC(F)(F)F ZINC000336695575 388463440 /nfs/dbraw/zinc/46/34/40/388463440.db2.gz SUJMXWHITGBCML-QMMMGPOBSA-N 2 0 212.259 1.902 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]C[C@@](C)(O)C2CC2)CC1 ZINC000336703227 388465241 /nfs/dbraw/zinc/46/52/41/388465241.db2.gz KIYVVHBUFMQXGX-CQSZACIVSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000336712616 388465994 /nfs/dbraw/zinc/46/59/94/388465994.db2.gz OBWBZMLBWMSODG-UONOGXRCSA-N 3 0 241.423 1.825 20 0 BDADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000520837671 388537330 /nfs/dbraw/zinc/53/73/30/388537330.db2.gz DBIOITSCESYYQA-XDQVBPFNSA-N 3 0 239.407 1.611 20 0 BDADRP C[C@@H](C(=O)Nc1ccc2c(c1)C[NH2+]CC2)[NH+](C)C ZINC000649272387 388483542 /nfs/dbraw/zinc/48/35/42/388483542.db2.gz HNYQELGDQIAGOW-JTQLQIEISA-N 2 0 247.342 1.221 20 0 BDADRP CCC[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)OC ZINC000356337519 388548355 /nfs/dbraw/zinc/54/83/55/388548355.db2.gz QBDDSUPYKHZUFE-JHJVBQTASA-N 2 0 228.380 1.874 20 0 BDADRP C[C@H](CCO)CC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000397649296 388486549 /nfs/dbraw/zinc/48/65/49/388486549.db2.gz WBZVPNXYIDESPT-AVGNSLFASA-N 2 0 228.380 1.515 20 0 BDADRP C[C@H]([NH2+]CCC[NH+](C)C)[C@@]1(C)CCCO1 ZINC000340168207 388487213 /nfs/dbraw/zinc/48/72/13/388487213.db2.gz RGZONGXIKNPRBL-NWDGAFQWSA-N 2 0 214.353 1.485 20 0 BDADRP C[C@H](C[NH2+][C@H](C)[C@]1(C)CCCO1)C[NH+](C)C ZINC000340392667 388490152 /nfs/dbraw/zinc/49/01/52/388490152.db2.gz ZWQHATJJWFPRDJ-UPJWGTAASA-N 2 0 228.380 1.731 20 0 BDADRP C[C@H](F)CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000340467029 388490885 /nfs/dbraw/zinc/49/08/85/388490885.db2.gz NWNVTRXLRWMESY-SRVKXCTJSA-N 2 0 214.328 1.951 20 0 BDADRP CCC[C@H](C[NH2+][C@@H](C)CCC[NH3+])OC ZINC000356338709 388548822 /nfs/dbraw/zinc/54/88/22/388548822.db2.gz JLLVBTLHBIRYHZ-WDEREUQCSA-N 2 0 202.342 1.519 20 0 BDADRP CN(CCC[NH3+])C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000646782947 388500802 /nfs/dbraw/zinc/50/08/02/388500802.db2.gz DQHFRLJJGMVITE-UHFFFAOYSA-N 2 0 249.358 1.169 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC2=CC[N@H+](C)CC2)CN1C1CC1 ZINC000344308494 388506054 /nfs/dbraw/zinc/50/60/54/388506054.db2.gz YTPAZAWHDNYXON-JSGCOSHPSA-N 2 0 249.402 1.463 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)CN1C1CC1 ZINC000344308498 388506290 /nfs/dbraw/zinc/50/62/90/388506290.db2.gz YTPAZAWHDNYXON-TZMCWYRMSA-N 2 0 249.402 1.463 20 0 BDADRP COC(=O)CC1(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000520833203 388514745 /nfs/dbraw/zinc/51/47/45/388514745.db2.gz OUGMBFJOZHISFW-QWRGUYRKSA-N 2 0 240.347 1.141 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CC2CC[NH2+]CC2)c2ccccc21 ZINC000516921187 388525026 /nfs/dbraw/zinc/52/50/26/388525026.db2.gz JHULSIHMJJOJQI-CABCVRRESA-N 3 0 245.370 1.720 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000348287055 388527965 /nfs/dbraw/zinc/52/79/65/388527965.db2.gz AODSXCBUTHXJCL-XDQVBPFNSA-N 2 0 242.407 1.569 20 0 BDADRP CO[C@@H](C[N@@H+]1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000379221210 388599554 /nfs/dbraw/zinc/59/95/54/388599554.db2.gz PVBSCTATORFXQW-OCCSQVGLSA-N 2 0 234.343 1.655 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](C[C@@H](OC)c2ccccc2)C1 ZINC000379217964 388600234 /nfs/dbraw/zinc/60/02/34/388600234.db2.gz OZFREJGGQSBXTC-UKRRQHHQSA-N 2 0 248.370 1.915 20 0 BDADRP C[C@@H](Cn1cccn1)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000137438186 388560341 /nfs/dbraw/zinc/56/03/41/388560341.db2.gz UCEJQZSSGDBJCG-QWHCGFSZSA-N 2 0 248.374 1.346 20 0 BDADRP CO[C@@H](C[NH2+][C@@H](C)CCC[NH3+])C(C)C ZINC000362976091 388562737 /nfs/dbraw/zinc/56/27/37/388562737.db2.gz JDWNRQNJWZGMFL-QWRGUYRKSA-N 2 0 202.342 1.374 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCCO)[C@@H](C)C1 ZINC000224552542 388665849 /nfs/dbraw/zinc/66/58/49/388665849.db2.gz HCNHUGKKHGTDTL-AVGNSLFASA-N 2 0 228.380 1.467 20 0 BDADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCSC1 ZINC000224613234 388667463 /nfs/dbraw/zinc/66/74/63/388667463.db2.gz GBLFIPOKBVGAII-RYUDHWBXSA-N 2 0 228.405 1.943 20 0 BDADRP CC[NH+](CC)CCCN(CC(N)=O)C(C)(C)C ZINC000191810045 388670514 /nfs/dbraw/zinc/67/05/14/388670514.db2.gz XJRPMWUNPGNGEP-UHFFFAOYSA-N 2 0 243.395 1.304 20 0 BDADRP COC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000248419433 388678539 /nfs/dbraw/zinc/67/85/39/388678539.db2.gz VCEHBRZGTIQUMB-STQMWFEESA-N 2 0 238.375 1.772 20 0 BDADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](C)OC)C1 ZINC000248452718 388681433 /nfs/dbraw/zinc/68/14/33/388681433.db2.gz YVCLAIWCYXRMDC-STQMWFEESA-N 2 0 228.380 1.685 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCC[C@H](F)C1 ZINC000521624407 388619972 /nfs/dbraw/zinc/61/99/72/388619972.db2.gz BDJHWMDDBHDITI-VWYCJHECSA-N 2 0 202.317 1.984 20 0 BDADRP Cc1n[nH]cc1CN[C@H]1CC[NH2+]C12CCC2 ZINC000530178428 388621073 /nfs/dbraw/zinc/62/10/73/388621073.db2.gz LCRPUAWFWUTISX-NSHDSACASA-N 2 0 220.320 1.092 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000530211558 388627930 /nfs/dbraw/zinc/62/79/30/388627930.db2.gz ONIQXIRAEBKHKL-LBELIVKGSA-N 2 0 208.349 1.892 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@H]1CCOC1 ZINC000530224243 388634303 /nfs/dbraw/zinc/63/43/03/388634303.db2.gz VRERNHRQMRZOTQ-RWMBFGLXSA-N 2 0 238.375 1.676 20 0 BDADRP C(C[C@@H]1CCOC1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530243894 388636408 /nfs/dbraw/zinc/63/64/08/388636408.db2.gz INLBGGJAFYCSKN-VXGBXAGGSA-N 2 0 224.348 1.287 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@H]1CC[NH2+]C12CCC2 ZINC000530245143 388636895 /nfs/dbraw/zinc/63/68/95/388636895.db2.gz UULASIMQEDTCJI-RYUDHWBXSA-N 2 0 225.380 1.234 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000530242274 388638120 /nfs/dbraw/zinc/63/81/20/388638120.db2.gz BCAQBNRDSUXRLQ-FRRDWIJNSA-N 2 0 237.391 1.391 20 0 BDADRP COC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000125993360 388684950 /nfs/dbraw/zinc/68/49/50/388684950.db2.gz AJCQAEFGJDTUQY-STQMWFEESA-N 2 0 228.380 1.731 20 0 BDADRP CCC[C@H]([NH3+])C(=O)Nc1ccncc1C ZINC000223515819 388654403 /nfs/dbraw/zinc/65/44/03/388654403.db2.gz GWSCNCASQGVNBS-VIFPVBQESA-N 2 0 207.277 1.456 20 0 BDADRP CC[N@@H+]1CC[C@H](NCC[NH+](C)C(C)C)[C@@H](C)C1 ZINC000247095759 388659090 /nfs/dbraw/zinc/65/90/90/388659090.db2.gz RZQWFTWAZCDXSE-KBPBESRZSA-N 2 0 241.423 1.647 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCOCC2)C1 ZINC000250576382 388737770 /nfs/dbraw/zinc/73/77/70/388737770.db2.gz FMGMMHGYZCMLLA-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP C[N@H+](C[C@H]1CCCO1)C[C@]1(C)CC[NH2+]C1 ZINC000250802027 388740703 /nfs/dbraw/zinc/74/07/03/388740703.db2.gz PCHJDPMOVTUYHV-VXGBXAGGSA-N 2 0 212.337 1.097 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000251104259 388745321 /nfs/dbraw/zinc/74/53/21/388745321.db2.gz KHLBDTMVCWBFDD-ZDEQEGDKSA-N 2 0 226.364 1.255 20 0 BDADRP [NH3+]C[C@H]1CCC[N@H+](C[C@H]2CCCOC2)C1 ZINC000251529493 388748134 /nfs/dbraw/zinc/74/81/34/388748134.db2.gz XLMCKLCVFNAMPS-VXGBXAGGSA-N 2 0 212.337 1.084 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CCCO1 ZINC000227472693 388751654 /nfs/dbraw/zinc/75/16/54/388751654.db2.gz CKMHLUWMJCHBIM-IJLUTSLNSA-N 2 0 212.337 1.415 20 0 BDADRP CC[C@H](O)C[NH2+][C@H](C)C(C)(C)C[NH+](C)C ZINC000564204231 388687570 /nfs/dbraw/zinc/68/75/70/388687570.db2.gz OJBQWYIBFQENCO-MNOVXSKESA-N 2 0 216.369 1.323 20 0 BDADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](C)O)C1 ZINC000248659883 388689779 /nfs/dbraw/zinc/68/97/79/388689779.db2.gz VLABRDCFWMNYTM-RYUDHWBXSA-N 2 0 214.353 1.031 20 0 BDADRP CC[C@@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)CC ZINC000248733479 388692144 /nfs/dbraw/zinc/69/21/44/388692144.db2.gz LYSTYURGFWEYID-ITGUQSILSA-N 2 0 230.396 1.808 20 0 BDADRP C[C@H](C[S@](C)=O)N(C)CC[C@@H]1CCC[N@@H+]1C ZINC000126272335 388692791 /nfs/dbraw/zinc/69/27/91/388692791.db2.gz DRDSIUZLOUFCTK-BFQNTYOBSA-N 2 0 246.420 1.170 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)OC)[C@H](C)C1 ZINC000249088224 388708814 /nfs/dbraw/zinc/70/88/14/388708814.db2.gz MVYMPXPVNGPWEO-WOPDTQHZSA-N 2 0 214.353 1.341 20 0 BDADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@](C)(O)CC)C1 ZINC000249321012 388716949 /nfs/dbraw/zinc/71/69/49/388716949.db2.gz GDVXPUZILIQSNS-KBPBESRZSA-N 2 0 242.407 1.811 20 0 BDADRP CC[C@@H](CO)[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000012481781 388720084 /nfs/dbraw/zinc/72/00/84/388720084.db2.gz DIQREXVGAWIWBR-WHOHXGKFSA-N 2 0 214.353 1.076 20 0 BDADRP COC[C@H](C)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000249499553 388723796 /nfs/dbraw/zinc/72/37/96/388723796.db2.gz HIODOOAIRIBOFF-RDBSUJKOSA-N 2 0 240.391 1.685 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCc2cnn(C)c2)CC[N@@H+]1C ZINC000127792444 388731757 /nfs/dbraw/zinc/73/17/57/388731757.db2.gz OIWAWCLOGOXAST-WCQYABFASA-N 2 0 236.363 1.035 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)[C@H]2CCOC2)C1 ZINC000252937907 388793612 /nfs/dbraw/zinc/79/36/12/388793612.db2.gz HFMARUPKSYSHEC-IHRRRGAJSA-N 2 0 240.391 1.731 20 0 BDADRP CC[N@H+](CCOC)CC[C@@H]1CCCC[NH+]1C ZINC000553938705 388794580 /nfs/dbraw/zinc/79/45/80/388794580.db2.gz LHCHOJCOVFPHOH-ZDUSSCGKSA-N 2 0 228.380 1.829 20 0 BDADRP [NH3+]CCC[N@@H+](Cc1ccccc1)C[C@@H]1CCOC1 ZINC000230001134 388809569 /nfs/dbraw/zinc/80/95/69/388809569.db2.gz CTNYPMQFSNATPF-HNNXBMFYSA-N 2 0 248.370 1.874 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000252687880 388772530 /nfs/dbraw/zinc/77/25/30/388772530.db2.gz MNSMIPQVNFKLDU-TUAOUCFPSA-N 2 0 212.337 1.095 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000300006942 388844837 /nfs/dbraw/zinc/84/48/37/388844837.db2.gz WZTRCIHZRCNMBQ-CHWSQXEVSA-N 2 0 238.375 1.759 20 0 BDADRP Cc1cnccc1C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000129860429 388873255 /nfs/dbraw/zinc/87/32/55/388873255.db2.gz ODLJKKMZCLYYFV-WCQYABFASA-N 2 0 219.332 1.702 20 0 BDADRP CC(C)OCCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129644036 388860237 /nfs/dbraw/zinc/86/02/37/388860237.db2.gz GJGFFLYMULFCIK-OLZOCXBDSA-N 2 0 228.380 1.874 20 0 BDADRP CC[C@@H]1C[N@H+](CCc2ccnn2C)CC[C@H]1[NH3+] ZINC000300015585 388848069 /nfs/dbraw/zinc/84/80/69/388848069.db2.gz GEDBKNTXRHDDKM-DGCLKSJQSA-N 2 0 236.363 1.022 20 0 BDADRP CCC[N@H+](CCC[NH+](C)C)C[C@H](C)COC ZINC000564686343 388884438 /nfs/dbraw/zinc/88/44/38/388884438.db2.gz BFVPGFDYOMRXRU-ZDUSSCGKSA-N 2 0 230.396 1.933 20 0 BDADRP CC(C)C[C@@H]([NH3+])c1noc([C@@H]2CCC[NH2+]C2)n1 ZINC000564959551 388902455 /nfs/dbraw/zinc/90/24/55/388902455.db2.gz MHIYXNSGWKCMPO-NXEZZACHSA-N 2 0 238.335 1.583 20 0 BDADRP CC[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000565718153 388966422 /nfs/dbraw/zinc/96/64/22/388966422.db2.gz HKONPHPLPALHIG-SDDRHHMPSA-N 2 0 241.379 1.055 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC000565357499 388938665 /nfs/dbraw/zinc/93/86/65/388938665.db2.gz FUZQWJWGUWQYNM-WCFLWFBJSA-N 2 0 240.391 1.765 20 0 BDADRP Cn1ccnc1[C@H]1CC[N@H+](CC2(F)CC2)C1 ZINC000565919334 388977600 /nfs/dbraw/zinc/97/76/00/388977600.db2.gz ILVSVCUJIUESQQ-JTQLQIEISA-N 2 0 223.295 1.712 20 0 BDADRP Cn1ccnc1[C@@H]1CC[N@H+](CC2(F)CC2)C1 ZINC000565919335 388978372 /nfs/dbraw/zinc/97/83/72/388978372.db2.gz ILVSVCUJIUESQQ-SNVBAGLBSA-N 2 0 223.295 1.712 20 0 BDADRP COC(=O)CCC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566010379 388983031 /nfs/dbraw/zinc/98/30/31/388983031.db2.gz OSOPLDBRBQXBFO-ZDUSSCGKSA-N 2 0 240.347 1.015 20 0 BDADRP CC[NH2+]CCC[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000566088221 388986318 /nfs/dbraw/zinc/98/63/18/388986318.db2.gz LUPCMLRFXMDDNQ-HBNTYKKESA-N 2 0 200.326 1.142 20 0 BDADRP C[C@@H]([NH2+]CCC[NH3+])c1ccc2c(c1)CCC(=O)N2 ZINC000566089086 388986955 /nfs/dbraw/zinc/98/69/55/388986955.db2.gz MRYDZXJORPYPRN-SNVBAGLBSA-N 2 0 247.342 1.571 20 0 BDADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cnccn1 ZINC000271817118 389024963 /nfs/dbraw/zinc/02/49/63/389024963.db2.gz BPYIXRICWSLPAJ-NSHDSACASA-N 2 0 232.331 1.389 20 0 BDADRP C[N@H+]1CC=C(C[NH2+]Cc2ccncc2)CC1 ZINC000271873129 389026164 /nfs/dbraw/zinc/02/61/64/389026164.db2.gz YLIJKZPQDWOOAL-UHFFFAOYSA-N 2 0 217.316 1.433 20 0 BDADRP C[C@H](CC[NH+](C)C)N[C@@H](C)c1cn[nH]c1 ZINC000274423388 389046589 /nfs/dbraw/zinc/04/65/89/389046589.db2.gz LWRMCQVZTNEZSZ-ZJUUUORDSA-N 2 0 210.325 1.401 20 0 BDADRP C[C@H]([NH2+]CCO)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272491248 389033406 /nfs/dbraw/zinc/03/34/06/389033406.db2.gz NBQBNOSYYBXPDO-ZFWWWQNUSA-N 2 0 248.370 1.479 20 0 BDADRP COCCCCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400518709 533234905 /nfs/dbraw/zinc/23/49/05/533234905.db2.gz NTQMRQVHLKHITI-NEPJUHHUSA-N 2 0 214.353 1.533 20 0 BDADRP C[C@@H]([NH2+]CC1(C2CC2)CC1)[C@H]1CCC[NH2+]1 ZINC000400367205 533357596 /nfs/dbraw/zinc/35/75/96/533357596.db2.gz FQAOPQUISXPSBD-ZYHUDNBSSA-N 2 0 208.349 1.907 20 0 BDADRP C(C[NH+]1CCSCC1)[C@H]1CC[NH2+]C1 ZINC000084384605 533365491 /nfs/dbraw/zinc/36/54/91/533365491.db2.gz ITUITXIXEVNWJX-SNVBAGLBSA-N 2 0 200.351 1.035 20 0 BDADRP C([NH2+][C@@H]1CCC12CCC2)[C@@H]1CCC[NH2+]C1 ZINC000335019553 533369195 /nfs/dbraw/zinc/36/91/95/533369195.db2.gz PXNXXJWKVICCLG-VXGBXAGGSA-N 2 0 208.349 1.908 20 0 BDADRP C[C@@H]([NH2+]CC1CCSCC1)[C@H]1CCC[NH2+]1 ZINC000400611685 533369199 /nfs/dbraw/zinc/36/91/99/533369199.db2.gz YOQHENIUXSKKJN-ZYHUDNBSSA-N 2 0 228.405 1.860 20 0 BDADRP C([NH2+][C@H]1CCC[NH2+]CC1)[C@@H]1CCCCO1 ZINC000168739929 533372010 /nfs/dbraw/zinc/37/20/10/533372010.db2.gz BDUVJRBPKKCHBC-RYUDHWBXSA-N 2 0 212.337 1.287 20 0 BDADRP C([NH2+][C@H]1CCC[NH2+]CC1)[C@H]1CCCCO1 ZINC000168740025 533372521 /nfs/dbraw/zinc/37/25/21/533372521.db2.gz BDUVJRBPKKCHBC-NWDGAFQWSA-N 2 0 212.337 1.287 20 0 BDADRP c1ccc(N2CCC([NH2+][C@H]3CCOC3)CC2)nc1 ZINC000109429677 132267711 /nfs/dbraw/zinc/26/77/11/132267711.db2.gz BSCAMJCUDBMXFE-ZDUSSCGKSA-N 2 0 247.342 1.429 20 0 BDADRP C[NH+](C)C1CCN(c2ccnc(C3CC3)n2)CC1 ZINC000110199693 132267826 /nfs/dbraw/zinc/26/78/26/132267826.db2.gz JBKIKJZQMQRRBC-UHFFFAOYSA-N 2 0 246.358 1.884 20 0 BDADRP Cc1c[nH+]ccc1N1CC[C@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000368450759 132283511 /nfs/dbraw/zinc/28/35/11/132283511.db2.gz SPJYAWHDVBNCRT-TZMCWYRMSA-N 2 0 231.343 1.920 20 0 BDADRP Cc1cccnc1N1CC[NH+](CCCC[NH3+])CC1 ZINC000051040737 132359701 /nfs/dbraw/zinc/35/97/01/132359701.db2.gz MVFVUJCOFJOOHD-UHFFFAOYSA-N 2 0 248.374 1.251 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCCCN1C[C@H]1CCC[NH2+]C1 ZINC000347116813 133804947 /nfs/dbraw/zinc/80/49/47/133804947.db2.gz WMGJWOFIUOHSFC-AVGNSLFASA-N 2 0 225.380 1.188 20 0 BDADRP Cc1nccn1CC[N@H+]1C[C@@H](C)N(C)C[C@@H]1C ZINC000335975318 134030714 /nfs/dbraw/zinc/03/07/14/134030714.db2.gz JIYYCBNKGAOLLE-NEPJUHHUSA-N 2 0 236.363 1.216 20 0 BDADRP Cc1nccn1CC[N@H+]1C[C@@H](C)N(C)C[C@H]1C ZINC000335975321 134030996 /nfs/dbraw/zinc/03/09/96/134030996.db2.gz JIYYCBNKGAOLLE-VXGBXAGGSA-N 2 0 236.363 1.216 20 0 BDADRP CC(C)N1CCC[N@H+](CC2CC[NH2+]CC2)CC1 ZINC000336054618 134065720 /nfs/dbraw/zinc/06/57/20/134065720.db2.gz MZFZJRCDPFACMI-UHFFFAOYSA-N 2 0 239.407 1.402 20 0 BDADRP c1c[nH]c([C@H]2CCCC[N@H+]2CC2CC[NH2+]CC2)n1 ZINC000336056532 134066975 /nfs/dbraw/zinc/06/69/75/134066975.db2.gz UXJBJQKTWHJDRU-CYBMUJFWSA-N 2 0 248.374 1.936 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000167572955 134070688 /nfs/dbraw/zinc/07/06/88/134070688.db2.gz NIKRNRJHNCBCIJ-AVGNSLFASA-N 2 0 228.380 1.467 20 0 BDADRP CCOC[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000178976466 134314002 /nfs/dbraw/zinc/31/40/02/134314002.db2.gz OKMXISGYQRKUCF-ZDUSSCGKSA-N 2 0 226.364 1.344 20 0 BDADRP CC(C)CCC[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000220808812 134316204 /nfs/dbraw/zinc/31/62/04/134316204.db2.gz CMOGCYFWYONPOY-LBPRGKRZSA-N 2 0 216.369 1.325 20 0 BDADRP C[C@H]1C[C@@H]([NH2+][C@H](CO)CC(C)(C)C)CCN1C ZINC000181522315 134337392 /nfs/dbraw/zinc/33/73/92/134337392.db2.gz XFAPHODHPWZOMX-AVGNSLFASA-N 2 0 242.407 1.856 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CC[C@@H]1CCCCO1 ZINC000223770174 134339743 /nfs/dbraw/zinc/33/97/43/134339743.db2.gz UFMQDVDAUAFSLR-STQMWFEESA-N 2 0 244.379 1.289 20 0 BDADRP CCC[C@@](C)(O)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000223523897 134340741 /nfs/dbraw/zinc/34/07/41/134340741.db2.gz KZGCHDARTUKMLN-CQSZACIVSA-N 2 0 242.407 2.000 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)CCO)[C@@H](C)C1 ZINC000224330823 134345870 /nfs/dbraw/zinc/34/58/70/134345870.db2.gz IVHRTAKALYNPJQ-AVGNSLFASA-N 2 0 228.380 1.325 20 0 BDADRP CC[C@H](O)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000225155002 134351432 /nfs/dbraw/zinc/35/14/32/134351432.db2.gz VZACEFXOPGBZAC-LBPRGKRZSA-N 2 0 214.353 1.220 20 0 BDADRP Cc1nc(CC[NH2+]C[C@@H]([NH3+])CC(C)C)cs1 ZINC000226468203 134363696 /nfs/dbraw/zinc/36/36/96/134363696.db2.gz SNDNHZAVPJCWCP-NSHDSACASA-N 2 0 241.404 1.957 20 0 BDADRP CCC[NH+]1CCC(NC(=O)CC[C@@H](C)[NH3+])CC1 ZINC000070317476 134401314 /nfs/dbraw/zinc/40/13/14/134401314.db2.gz VGNVYVIZOOEVBL-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP CC[C@@H](CSC)[NH2+][C@H](CCC[NH3+])COC ZINC000233878309 134569951 /nfs/dbraw/zinc/56/99/51/134569951.db2.gz GAGDNTGOHCLTSN-WDEREUQCSA-N 2 0 234.409 1.472 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCCSC1 ZINC000234701245 134583313 /nfs/dbraw/zinc/58/33/13/134583313.db2.gz AYADCPJBGMUAFR-QWRGUYRKSA-N 2 0 232.393 1.226 20 0 BDADRP C[C@@H](O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062033275 134805601 /nfs/dbraw/zinc/80/56/01/134805601.db2.gz JUFXFRJLEXIZQL-GFCCVEGCSA-N 2 0 226.364 1.175 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)CCO1 ZINC000069890416 134904857 /nfs/dbraw/zinc/90/48/57/134904857.db2.gz DHHVQMZUOLPQRY-AAEUAGOBSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C1CCCC1 ZINC000070306801 134914972 /nfs/dbraw/zinc/91/49/72/134914972.db2.gz BLAHJVFHMQXHFO-JSGCOSHPSA-N 2 0 240.391 1.611 20 0 BDADRP COCC[C@H](C)[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000082474752 134970535 /nfs/dbraw/zinc/97/05/35/134970535.db2.gz WGVFBILVOZMJPF-WDEREUQCSA-N 2 0 214.353 1.471 20 0 BDADRP CC[C@@H](COC)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000070656620 135005575 /nfs/dbraw/zinc/00/55/75/135005575.db2.gz QANLJWLTTJVSAC-NEPJUHHUSA-N 2 0 226.364 1.485 20 0 BDADRP CCC(O)(CC)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000250786260 135059000 /nfs/dbraw/zinc/05/90/00/135059000.db2.gz WPIKJIZKDZGHRN-JHJVBQTASA-N 2 0 242.407 1.856 20 0 BDADRP C[C@H](Cn1ccnc1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251801138 135077758 /nfs/dbraw/zinc/07/77/58/135077758.db2.gz YKLGLHWILXGARU-RDBSUJKOSA-N 2 0 248.374 1.488 20 0 BDADRP Cc1ncsc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000086404154 135083045 /nfs/dbraw/zinc/08/30/45/135083045.db2.gz JSGQWKDHEXOSAA-NXEZZACHSA-N 2 0 225.361 1.811 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2CCCC[C@H]2C[NH3+])CC[N@@H+]1C ZINC000252106240 135083361 /nfs/dbraw/zinc/08/33/61/135083361.db2.gz IYZYLKQCYWPRTR-RQJABVFESA-N 2 0 239.407 1.576 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cccnc2)C1 ZINC000086402376 135083527 /nfs/dbraw/zinc/08/35/27/135083527.db2.gz PXXHYJARKNJULX-NEPJUHHUSA-N 2 0 205.305 1.441 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CCc2sccc2C1 ZINC000086435344 135084032 /nfs/dbraw/zinc/08/40/32/135084032.db2.gz MBUUHCJIJQLSIL-UHFFFAOYSA-N 2 0 226.345 1.082 20 0 BDADRP C[C@H](CCCO)[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000252625808 135093107 /nfs/dbraw/zinc/09/31/07/135093107.db2.gz RJLDQXLXWMZGSL-QNWHQSFQSA-N 2 0 228.380 1.466 20 0 BDADRP CC[NH+](CC)CCC[NH2+]CC1CC[NH2+]CC1 ZINC000086700212 135094990 /nfs/dbraw/zinc/09/49/90/135094990.db2.gz NIFDJKVQRRACSB-UHFFFAOYSA-N 3 0 227.396 1.308 20 0 BDADRP C[C@H](O)C[C@H](C)C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000252711878 135100006 /nfs/dbraw/zinc/10/00/06/135100006.db2.gz KVTXGKIZSLWRPY-CYDGBPFRSA-N 2 0 228.380 1.323 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCCOC1 ZINC000252711798 135100165 /nfs/dbraw/zinc/10/01/65/135100165.db2.gz KQAXJRZDJVRVHX-UPJWGTAASA-N 2 0 226.364 1.343 20 0 BDADRP Cc1nccn1CC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252713739 135100407 /nfs/dbraw/zinc/10/04/07/135100407.db2.gz QBKNZEFZMHJDCV-DGCLKSJQSA-N 2 0 236.363 1.121 20 0 BDADRP CCC[C@H](O)C[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000252716205 135101086 /nfs/dbraw/zinc/10/10/86/135101086.db2.gz XXCHPIHEZIFPIM-FRRDWIJNSA-N 2 0 228.380 1.467 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)CCOC)C1 ZINC000252717089 135102937 /nfs/dbraw/zinc/10/29/37/135102937.db2.gz ZTRSPKDZLUDMAD-CHWSQXEVSA-N 2 0 228.380 1.733 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000252774174 135108305 /nfs/dbraw/zinc/10/83/05/135108305.db2.gz WJRYQBYSDKZSAA-PJSNJIKXSA-N 2 0 228.380 1.464 20 0 BDADRP CCC1(C[NH+]2CCC([NH2+]C)CC2)CCOCC1 ZINC000261544339 135109121 /nfs/dbraw/zinc/10/91/21/135109121.db2.gz DTAWBCKQKLSIEG-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C[C@H]1C ZINC000253069078 135120046 /nfs/dbraw/zinc/12/00/46/135120046.db2.gz LIIJGHWEHZTNSE-UPJWGTAASA-N 2 0 210.365 1.964 20 0 BDADRP C[C@]1(F)CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000258206894 135132279 /nfs/dbraw/zinc/13/22/79/135132279.db2.gz XGXQDCCWUPBLGU-NSHDSACASA-N 2 0 200.301 1.420 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]Cc1ccc(F)c(F)c1 ZINC000258756859 135134073 /nfs/dbraw/zinc/13/40/73/135134073.db2.gz MPTOUABVRCHBAS-MRVPVSSYSA-N 2 0 214.259 1.649 20 0 BDADRP c1ncc(C[NH+]2CCC3(CC[NH2+]C3)CC2)s1 ZINC000257678195 135139303 /nfs/dbraw/zinc/13/93/03/135139303.db2.gz KIOHVQMCSPSCQW-UHFFFAOYSA-N 2 0 237.372 1.719 20 0 BDADRP Cc1ncccc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000257708618 135140483 /nfs/dbraw/zinc/14/04/83/135140483.db2.gz SDTAVKFVMYVVLZ-UHFFFAOYSA-N 2 0 245.370 1.966 20 0 BDADRP Cc1cc(C)c(C[N@H+](C)C[C@H](O)C[NH3+])c(C)c1 ZINC000259221193 135141281 /nfs/dbraw/zinc/14/12/81/135141281.db2.gz XOJFJHJZEZSKDL-CYBMUJFWSA-N 2 0 236.359 1.363 20 0 BDADRP C[C@H]([NH3+])CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000257760436 135141646 /nfs/dbraw/zinc/14/16/46/135141646.db2.gz VJHSJANYUGJRMP-STQMWFEESA-N 2 0 225.380 1.284 20 0 BDADRP Cc1ncccc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000261545336 135143220 /nfs/dbraw/zinc/14/32/20/135143220.db2.gz FYWYWJSIAOCGHK-BXUZGUMPSA-N 2 0 233.359 1.807 20 0 BDADRP CCSCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261528438 135153413 /nfs/dbraw/zinc/15/34/13/135153413.db2.gz LRYWBNLZRJVLCS-GHMZBOCLSA-N 2 0 214.378 1.281 20 0 BDADRP CO[C@H](C)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000261529143 135154842 /nfs/dbraw/zinc/15/48/42/135154842.db2.gz PILAFLIPZYKKBG-VWYCJHECSA-N 2 0 200.326 1.128 20 0 BDADRP C[C@]1(C[N@@H+]2CCCC3(CC3)C2)CC[NH2+]C1 ZINC000261532874 135164356 /nfs/dbraw/zinc/16/43/56/135164356.db2.gz ANZZJBGIUMWINI-LBPRGKRZSA-N 2 0 208.349 1.862 20 0 BDADRP CCc1cc(N2C[C@H](C)[C@H]([NH3+])C2)nc(C)n1 ZINC000261534303 135166469 /nfs/dbraw/zinc/16/64/69/135166469.db2.gz PQSIJCPODBCSFB-GZMMTYOYSA-N 2 0 220.320 1.131 20 0 BDADRP COC[C@@H]1CC[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000261534471 135167034 /nfs/dbraw/zinc/16/70/34/135167034.db2.gz QWEVFCQQAKOYHE-RWMBFGLXSA-N 2 0 226.364 1.343 20 0 BDADRP COC[C@H](C)[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000261534600 135167875 /nfs/dbraw/zinc/16/78/75/135167875.db2.gz MSHCAORFXDMQOK-WOPDTQHZSA-N 2 0 214.353 1.341 20 0 BDADRP CN1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000261535274 135169286 /nfs/dbraw/zinc/16/92/86/135169286.db2.gz XTCSEBDHTWAFJC-UPJWGTAASA-N 2 0 225.380 1.188 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@H]1C[NH3+])C1CCOCC1 ZINC000261535434 135169546 /nfs/dbraw/zinc/16/95/46/135169546.db2.gz YVGZDIXEOAOPIS-WCFLWFBJSA-N 2 0 226.364 1.519 20 0 BDADRP C[N@H+](CC[C@H]1CCCO1)[C@H]1CCC[NH2+]CC1 ZINC000261535290 135169766 /nfs/dbraw/zinc/16/97/66/135169766.db2.gz YBDYWKYJMNSYKY-QWHCGFSZSA-N 2 0 226.364 1.629 20 0 BDADRP Cc1[nH+]ccc(N2C[C@H]([NH3+])[C@@H](C)C2)c1Cl ZINC000261535926 135170495 /nfs/dbraw/zinc/17/04/95/135170495.db2.gz PRNLKRTXDFZRHO-CBAPKCEASA-N 2 0 225.723 1.827 20 0 BDADRP CC1(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CCC1 ZINC000261536322 135171715 /nfs/dbraw/zinc/17/17/15/135171715.db2.gz RGMJTHMAGCYOIY-QJPTWQEYSA-N 2 0 208.349 1.846 20 0 BDADRP CC(C)OCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261537852 135174983 /nfs/dbraw/zinc/17/49/83/135174983.db2.gz WLOKXUNHFYPQAR-SDDRHHMPSA-N 2 0 212.337 1.081 20 0 BDADRP C(C1CCCC1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261538077 135175345 /nfs/dbraw/zinc/17/53/45/135175345.db2.gz XJKWQILQZPZPGK-OLZOCXBDSA-N 2 0 208.349 1.860 20 0 BDADRP COCC(C)(C)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000261538044 135175539 /nfs/dbraw/zinc/17/55/39/135175539.db2.gz XGSBIOFQTSSAKU-MNOVXSKESA-N 2 0 214.353 1.328 20 0 BDADRP COCC(C)(C)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000261538046 135175921 /nfs/dbraw/zinc/17/59/21/135175921.db2.gz XGSBIOFQTSSAKU-WDEREUQCSA-N 2 0 214.353 1.328 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2C[NH3+])C1(C)C ZINC000261541298 135180810 /nfs/dbraw/zinc/18/08/10/135180810.db2.gz JOUPHPIVWJOOLU-ZDEQEGDKSA-N 2 0 240.391 1.907 20 0 BDADRP CCC[N@H+](CC)CCN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000261542856 135183133 /nfs/dbraw/zinc/18/31/33/135183133.db2.gz QTRQVUORPDARPM-UONOGXRCSA-N 2 0 241.423 1.825 20 0 BDADRP CCOC(=O)C1CCC([NH2+][C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000261544614 135185747 /nfs/dbraw/zinc/18/57/47/135185747.db2.gz DZFBDTDUJYZUDV-QKEWWQLBSA-N 2 0 242.363 1.434 20 0 BDADRP C[C@H]1CCSCC[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261544524 135185982 /nfs/dbraw/zinc/18/59/82/135185982.db2.gz IYRKAOYZBPUQBP-RYUDHWBXSA-N 2 0 228.405 1.813 20 0 BDADRP C[C@@H]1C[C@@H](NCC[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000261548902 135187608 /nfs/dbraw/zinc/18/76/08/135187608.db2.gz OAOPSRSJSOXDDF-TZMCWYRMSA-N 2 0 233.359 1.198 20 0 BDADRP Cn1nccc1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000084216829 135192679 /nfs/dbraw/zinc/19/26/79/135192679.db2.gz HGHOCUSWHONLER-ZYHUDNBSSA-N 2 0 222.336 1.027 20 0 BDADRP CCC1(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)CCOCC1 ZINC000261553254 135192938 /nfs/dbraw/zinc/19/29/38/135192938.db2.gz NRAOLTIZDGRUQR-QWHCGFSZSA-N 2 0 240.391 1.862 20 0 BDADRP CC(C)OCCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000084218296 135192987 /nfs/dbraw/zinc/19/29/87/135192987.db2.gz KXJORORWEYVVLU-VXGBXAGGSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@]1(C[N@@H+]2CC[C@@H]3CCC[C@H]32)CC[NH2+]C1 ZINC000261559025 135199804 /nfs/dbraw/zinc/19/98/04/135199804.db2.gz YUENVNYQGOSCKI-XQQFMLRXSA-N 2 0 208.349 1.860 20 0 BDADRP COCC(C)(C)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000261559690 135200082 /nfs/dbraw/zinc/20/00/82/135200082.db2.gz ZFRYNLIGGIIYKG-WDEREUQCSA-N 2 0 214.353 1.328 20 0 BDADRP Cc1ncccc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000261559866 135200597 /nfs/dbraw/zinc/20/05/97/135200597.db2.gz UEHGYCVQIJJOCZ-CYBMUJFWSA-N 2 0 233.359 1.951 20 0 BDADRP Cn1cc([C@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]C2)cn1 ZINC000261569884 135212280 /nfs/dbraw/zinc/21/22/80/135212280.db2.gz KCFMJVFORBCBOF-GXTWGEPZSA-N 2 0 248.374 1.557 20 0 BDADRP Cc1ncsc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261571316 135213545 /nfs/dbraw/zinc/21/35/45/135213545.db2.gz HKSHJJNZBBGMAH-GARJFASQSA-N 2 0 237.372 1.621 20 0 BDADRP C[C@@]1(C[NH3+])CC[N@H+](CCOCC2CC2)C1 ZINC000261571660 135214162 /nfs/dbraw/zinc/21/41/62/135214162.db2.gz HQXWLOBNMKPXPI-LBPRGKRZSA-N 2 0 212.337 1.084 20 0 BDADRP CCOC1CC([NH2+]CCC2CC[NH+](C)CC2)C1 ZINC000164291560 135217820 /nfs/dbraw/zinc/21/78/20/135217820.db2.gz UIYMWYKAIJSOKC-UHFFFAOYSA-N 2 0 240.391 1.875 20 0 BDADRP CC1(C)C[N@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000084384864 135217994 /nfs/dbraw/zinc/21/79/94/135217994.db2.gz ZHKJKWOYIPRTHV-LLVKDONJSA-N 2 0 212.337 1.097 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000261576866 135218467 /nfs/dbraw/zinc/21/84/67/135218467.db2.gz KQCAVZUWPJXJKO-XQQFMLRXSA-N 2 0 228.380 1.645 20 0 BDADRP Cc1cnn(CC[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000261578733 135219632 /nfs/dbraw/zinc/21/96/32/135219632.db2.gz PAHLNELNJYDJQR-IHRRRGAJSA-N 2 0 248.374 1.251 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](O)C2)c2ccccc21 ZINC000261585849 135227086 /nfs/dbraw/zinc/22/70/86/135227086.db2.gz TZBDATARGYFGRM-AZHAFVHUSA-N 2 0 246.354 1.882 20 0 BDADRP c1ccc(OCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261587392 135228410 /nfs/dbraw/zinc/22/84/10/135228410.db2.gz UZVBSVJFEJNJJT-KGLIPLIRSA-N 2 0 246.354 1.607 20 0 BDADRP C(C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)[C@H]1CCCO1 ZINC000261596880 135236750 /nfs/dbraw/zinc/23/67/50/135236750.db2.gz ZAWUGJVUASMIOZ-OLZOCXBDSA-N 2 0 224.348 1.241 20 0 BDADRP Cc1nc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cs1 ZINC000261598411 135236956 /nfs/dbraw/zinc/23/69/56/135236956.db2.gz ZMXLVMFALZEULS-WCQGTBRESA-N 2 0 237.372 1.621 20 0 BDADRP CC(C)COCC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261598539 135237099 /nfs/dbraw/zinc/23/70/99/135237099.db2.gz ZPYXQNKMGSPQOV-CYBMUJFWSA-N 2 0 226.364 1.344 20 0 BDADRP Cc1ncccc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261545979 135238612 /nfs/dbraw/zinc/23/86/12/135238612.db2.gz GNJOYDMIZFXODE-BFHYXJOUSA-N 2 0 231.343 1.559 20 0 BDADRP C[C@H](O)C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261547703 135240687 /nfs/dbraw/zinc/24/06/87/135240687.db2.gz IOQJGLFXHJDNTG-IHRRRGAJSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@@](C[NH3+])([NH2+]Cc1cccc(N)c1)C1CC1 ZINC000261657898 135243773 /nfs/dbraw/zinc/24/37/73/135243773.db2.gz IRXKNFASOJPUIG-ZDUSSCGKSA-N 2 0 219.332 1.486 20 0 BDADRP C[C@]1(C[NH+]2CCC(c3c[nH]cn3)CC2)CC[NH2+]C1 ZINC000261707517 135246646 /nfs/dbraw/zinc/24/66/46/135246646.db2.gz DDFKTHNJIUXXKU-AWEZNQCLSA-N 2 0 248.374 1.589 20 0 BDADRP CN(C)c1ccccc1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261730553 135248247 /nfs/dbraw/zinc/24/82/47/135248247.db2.gz OFRXPCCJGKUZIN-OAHLLOKOSA-N 2 0 247.386 1.923 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](Cc2cccc3c[nH]nc32)C1 ZINC000261728737 135248578 /nfs/dbraw/zinc/24/85/78/135248578.db2.gz OEHLCPQZYUHTKL-CQSZACIVSA-N 2 0 244.342 1.734 20 0 BDADRP COc1cc(CN(C)[C@@H](C)C[NH3+])ccc1C ZINC000261747612 135249740 /nfs/dbraw/zinc/24/97/40/135249740.db2.gz BYIJMWLSFKDUMR-NSHDSACASA-N 2 0 222.332 1.783 20 0 BDADRP COC(=O)C[C@H]1CCC[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261879621 135258833 /nfs/dbraw/zinc/25/88/33/135258833.db2.gz QREZMKGUZROSEW-DGCLKSJQSA-N 2 0 240.347 1.014 20 0 BDADRP COC[C@H](C)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261877821 135259440 /nfs/dbraw/zinc/25/94/40/135259440.db2.gz YEDCZMRHLIUARG-FPMFFAJLSA-N 2 0 234.343 1.448 20 0 BDADRP C[C@@H]1[C@H](C)N(C[C@@H]2CCC[NH2+]C2)CC[N@H+]1C ZINC000261928560 135263761 /nfs/dbraw/zinc/26/37/61/135263761.db2.gz LGZTUIATVLDGDA-FRRDWIJNSA-N 2 0 225.380 1.010 20 0 BDADRP C[C@]1(C[N@@H+]2CCC[C@H]3COCC[C@H]32)CC[NH2+]C1 ZINC000261954964 135265805 /nfs/dbraw/zinc/26/58/05/135265805.db2.gz GPDKQKCMUDHBMB-MJBXVCDLSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)[C@H]1CCCCO1 ZINC000261963585 135267139 /nfs/dbraw/zinc/26/71/39/135267139.db2.gz ADYFISGTHTZKST-RWMBFGLXSA-N 2 0 226.364 1.676 20 0 BDADRP C[N@H+](CC[C@H]1CCOC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262007761 135272037 /nfs/dbraw/zinc/27/20/37/135272037.db2.gz USVVRGSEVFUSSU-ICIURTGMSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@@]1(C[N@@H+]2CCc3cc[nH]c(=O)c3C2)CC[NH2+]C1 ZINC000262012262 135272345 /nfs/dbraw/zinc/27/23/45/135272345.db2.gz MHWNSVFGRRFGBJ-CQSZACIVSA-N 2 0 247.342 1.145 20 0 BDADRP CC(C)[NH2+]C1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262027002 135273645 /nfs/dbraw/zinc/27/36/45/135273645.db2.gz NRKXQHOJGXTANG-CQSZACIVSA-N 3 0 239.407 1.448 20 0 BDADRP CC[N@@H+]1CC[C@@H](N(C)CC(C)(C)[NH3+])C[C@@H]1C ZINC000262041769 135275041 /nfs/dbraw/zinc/27/50/41/135275041.db2.gz YJEXNTXNNPFRGM-NWDGAFQWSA-N 2 0 227.396 1.528 20 0 BDADRP C[C@@]1(C[NH+]2CCC(c3cc[nH]n3)CC2)CC[NH2+]C1 ZINC000262090818 135278845 /nfs/dbraw/zinc/27/88/45/135278845.db2.gz UVOQRHYZAVBFQJ-CQSZACIVSA-N 2 0 248.374 1.589 20 0 BDADRP c1csc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)n1 ZINC000262105005 135279052 /nfs/dbraw/zinc/27/90/52/135279052.db2.gz VXMAOWKCRQGKRE-UHFFFAOYSA-N 2 0 237.372 1.719 20 0 BDADRP [NH3+]C1CCC([NH2+][C@@H]2COc3ccccc3C2)CC1 ZINC000262190594 135284508 /nfs/dbraw/zinc/28/45/08/135284508.db2.gz JOKBYVQLDWGZJO-RUXDESIVSA-N 2 0 246.354 1.850 20 0 BDADRP c1c[nH]c(C2CC[NH+](CC3CC[NH2+]CC3)CC2)n1 ZINC000262220800 135285266 /nfs/dbraw/zinc/28/52/66/135285266.db2.gz MRZMTKRIKFKUFC-UHFFFAOYSA-N 2 0 248.374 1.589 20 0 BDADRP Oc1ccc2c(c1)C[N@@H+](CC1CC[NH2+]CC1)CC2 ZINC000262235532 135286455 /nfs/dbraw/zinc/28/64/55/135286455.db2.gz OLFBAKUSXBBZPY-UHFFFAOYSA-N 2 0 246.354 1.750 20 0 BDADRP C[C@@]1(CN2CC[NH+](C3CCC3)CC2)CC[NH2+]C1 ZINC000262245583 135287250 /nfs/dbraw/zinc/28/72/50/135287250.db2.gz POYYEEIWLTTZME-CQSZACIVSA-N 2 0 237.391 1.156 20 0 BDADRP C[C@H]([NH3+])CN1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000262297471 135291683 /nfs/dbraw/zinc/29/16/83/135291683.db2.gz WWPUUXALLLTQBY-GWCFXTLKSA-N 2 0 237.322 1.119 20 0 BDADRP CC(C)(CNC1=[NH+]CCCN1)C[NH+]1CCCC1 ZINC000262311768 135292371 /nfs/dbraw/zinc/29/23/71/135292371.db2.gz BNCLCEFNECWCED-UHFFFAOYSA-N 2 0 238.379 1.047 20 0 BDADRP [NH3+]CCCC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000079235748 135295467 /nfs/dbraw/zinc/29/54/67/135295467.db2.gz MFUKYKDHABELAJ-QWHCGFSZSA-N 3 0 219.332 1.460 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000262431673 135296734 /nfs/dbraw/zinc/29/67/34/135296734.db2.gz KAOAOJAUYVDFSI-LBPRGKRZSA-N 2 0 249.358 1.320 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)NCC([NH3+])(CC)CC ZINC000262603433 135308099 /nfs/dbraw/zinc/30/80/99/135308099.db2.gz QWESZNWMAGJWJD-LLVKDONJSA-N 2 0 229.368 1.138 20 0 BDADRP CCC(CC)(C[NH3+])NC(=O)CCCCCC[NH3+] ZINC000262601592 135308224 /nfs/dbraw/zinc/30/82/24/135308224.db2.gz QAQSHAYFCGYWLF-UHFFFAOYSA-N 2 0 243.395 1.529 20 0 BDADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(C)(C)[NH3+] ZINC000262653154 135311238 /nfs/dbraw/zinc/31/12/38/135311238.db2.gz SHPPRYXKVQTIGJ-LLVKDONJSA-N 2 0 241.379 1.057 20 0 BDADRP CC(C)(C[NH3+])NC(=O)CC1(C[NH3+])CCCCC1 ZINC000262696452 135314385 /nfs/dbraw/zinc/31/43/85/135314385.db2.gz XQANCGFJLDGSRC-UHFFFAOYSA-N 2 0 241.379 1.139 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)NCC[NH2+]C(C)(C)C ZINC000262712834 135314724 /nfs/dbraw/zinc/31/47/24/135314724.db2.gz SDYHSAXTZHQQTL-LBPRGKRZSA-N 2 0 229.368 1.008 20 0 BDADRP CN(C)c1cccc([C@@H]2CCCN2CC[NH3+])c1 ZINC000262737669 135316266 /nfs/dbraw/zinc/31/62/66/135316266.db2.gz CGNCJAJXYSGARM-AWEZNQCLSA-N 2 0 233.359 1.848 20 0 BDADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC[NH3+])C1 ZINC000263062625 135330797 /nfs/dbraw/zinc/33/07/97/135330797.db2.gz VMHNMYDUWDQRBH-UONOGXRCSA-N 2 0 239.407 1.532 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000334277253 135333329 /nfs/dbraw/zinc/33/33/29/135333329.db2.gz SQSCNCVZYFUSFP-DGCLKSJQSA-N 2 0 225.380 1.045 20 0 BDADRP CCN1C[C@H](C)[C@H]([NH2+]CCc2ccccn2)C1 ZINC000342960446 135342241 /nfs/dbraw/zinc/34/22/41/135342241.db2.gz NVSMWDBTZPDKQR-GXTWGEPZSA-N 2 0 233.359 1.554 20 0 BDADRP C[N@H+](CC1CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000334308150 135350219 /nfs/dbraw/zinc/35/02/19/135350219.db2.gz DSNHBJOURZZKKS-FUNVUKJBSA-N 2 0 208.349 1.953 20 0 BDADRP O[C@H]1CC[N@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000334406055 135394359 /nfs/dbraw/zinc/39/43/59/135394359.db2.gz HRDYJPPNKYMVRP-NSHDSACASA-N 2 0 249.339 1.500 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@@H](CO)C(C)C)CC1 ZINC000348298859 135486533 /nfs/dbraw/zinc/48/65/33/135486533.db2.gz DQTSGOZVRQABDU-ZDUSSCGKSA-N 2 0 242.407 1.715 20 0 BDADRP C[NH+](C)C1(CN[C@@H]2CC[NH2+]C2)CCCCC1 ZINC000086725017 135494860 /nfs/dbraw/zinc/49/48/60/135494860.db2.gz BZYUYVTZSFBOHM-GFCCVEGCSA-N 2 0 225.380 1.202 20 0 BDADRP [NH3+]C1CCC([NH2+]CCc2ccco2)CC1 ZINC000086726380 135495352 /nfs/dbraw/zinc/49/53/52/135495352.db2.gz PKBUVAJGYGGFGL-UHFFFAOYSA-N 2 0 208.305 1.682 20 0 BDADRP CC[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000334967296 135852929 /nfs/dbraw/zinc/85/29/29/135852929.db2.gz IYFLBNGENUXWME-VXGBXAGGSA-N 2 0 212.337 1.225 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1NCC1([NH3+])CCC1 ZINC000335021099 135879138 /nfs/dbraw/zinc/87/91/38/135879138.db2.gz BDUWMNKCEIYAOR-GHMZBOCLSA-N 2 0 211.353 1.117 20 0 BDADRP CC(C)C[C@@H](C)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000347884760 136014911 /nfs/dbraw/zinc/01/49/11/136014911.db2.gz YEGXIBFCXAHMHD-ZIAGYGMSSA-N 2 0 242.407 1.715 20 0 BDADRP C[N@@H+]1CCCC12CC[NH+](CC1(O)CCC1)CC2 ZINC000335305806 136022091 /nfs/dbraw/zinc/02/20/91/136022091.db2.gz IFKGVUJTDHRYJM-UHFFFAOYSA-N 2 0 238.375 1.462 20 0 BDADRP [NH3+][C@H]1CCCN(Cc2cccc3c2NCC3)C1 ZINC000335335203 136055563 /nfs/dbraw/zinc/05/55/63/136055563.db2.gz GBBXSHDIQUUFJI-ZDUSSCGKSA-N 2 0 231.343 1.578 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335400319 136094401 /nfs/dbraw/zinc/09/44/01/136094401.db2.gz CTXDQASMABGALJ-AWEZNQCLSA-N 2 0 237.391 1.062 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2(C)CC[NH2+]CC2)c2nccn21 ZINC000335567853 136108502 /nfs/dbraw/zinc/10/85/02/136108502.db2.gz GKBKYEFNWWIWGF-NEPJUHHUSA-N 2 0 248.374 1.868 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCC3CC3)C2)C1 ZINC000335571549 136109722 /nfs/dbraw/zinc/10/97/22/136109722.db2.gz FZICLEWVXGDWKY-CYBMUJFWSA-N 2 0 208.349 1.814 20 0 BDADRP CC(C)([NH3+])C[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000335598718 136113841 /nfs/dbraw/zinc/11/38/41/136113841.db2.gz LYTLGSLPRIMCPM-GFCCVEGCSA-N 2 0 234.343 1.707 20 0 BDADRP C(C1CCCC1)[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000381609179 397763667 /nfs/dbraw/zinc/76/36/67/397763667.db2.gz RJZKPHYSXXMWKF-STQMWFEESA-N 2 0 208.349 1.860 20 0 BDADRP C(C1CCCC1)[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000381609177 397763842 /nfs/dbraw/zinc/76/38/42/397763842.db2.gz RJZKPHYSXXMWKF-OLZOCXBDSA-N 2 0 208.349 1.860 20 0 BDADRP C[NH+](C)CC(C)(C)C[NH2+]C[C@H]1CCCOC1 ZINC000082580294 397955572 /nfs/dbraw/zinc/95/55/72/397955572.db2.gz RRRDTWIZXMHDEX-GFCCVEGCSA-N 2 0 228.380 1.590 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000082581737 397955750 /nfs/dbraw/zinc/95/57/50/397955750.db2.gz IVDJTRCDBDBIBA-RYUDHWBXSA-N 2 0 226.364 1.472 20 0 BDADRP CC(C)(C)C[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1 ZINC000082432944 397919579 /nfs/dbraw/zinc/91/95/79/397919579.db2.gz STIRWBLUBRJMMU-VXGBXAGGSA-N 2 0 226.364 1.485 20 0 BDADRP C[NH2+][C@H](C)Cc1noc([C@H]2CCC[NH2+]CC2)n1 ZINC000650227943 397998001 /nfs/dbraw/zinc/99/80/01/397998001.db2.gz PCUOMFGLRBJDBJ-ZJUUUORDSA-N 2 0 238.335 1.077 20 0 BDADRP C[C@@H](NCCOCC1CCC1)[C@@H]1CCCC[NH2+]1 ZINC000564826142 398045648 /nfs/dbraw/zinc/04/56/48/398045648.db2.gz FERBMAFGZIDTNJ-OCCSQVGLSA-N 2 0 240.391 1.923 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000414648244 398002026 /nfs/dbraw/zinc/00/20/26/398002026.db2.gz AUEURSIASMOHPX-AGIUHOORSA-N 2 0 227.396 1.562 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCC[C@H]1F)[C@H]1CCC[NH2+]C1 ZINC000564823077 398045833 /nfs/dbraw/zinc/04/58/33/398045833.db2.gz PTBMRXCRDDZHCS-KXNHARMFSA-N 2 0 214.328 1.855 20 0 BDADRP CC[C@@H](C)[NH+]1CCN(C[C@H]2CCC[N@@H+]2C)CC1 ZINC000649622687 398006694 /nfs/dbraw/zinc/00/66/94/398006694.db2.gz QUPVWAUXYQFFKZ-ZIAGYGMSSA-N 2 0 239.407 1.497 20 0 BDADRP CC[C@H](C)[NH+]1CCN(C[C@H]2CCC[N@@H+]2C)CC1 ZINC000649622686 398007180 /nfs/dbraw/zinc/00/71/80/398007180.db2.gz QUPVWAUXYQFFKZ-UONOGXRCSA-N 2 0 239.407 1.497 20 0 BDADRP CCC[C@H]1C[NH2+]CCN1C[C@H]([NH3+])CC(C)C ZINC000414657980 398009244 /nfs/dbraw/zinc/00/92/44/398009244.db2.gz IRJUTTRTLYDONX-OLZOCXBDSA-N 2 0 227.396 1.434 20 0 BDADRP CO[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CC1 ZINC000383262632 398013700 /nfs/dbraw/zinc/01/37/00/398013700.db2.gz TWENTPMCNABILR-WTUNAVPPSA-N 2 0 238.375 1.626 20 0 BDADRP CO[C@H](C)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000373311679 398020279 /nfs/dbraw/zinc/02/02/79/398020279.db2.gz SUGAUWDUUGACDU-MQYQWHSLSA-N 2 0 238.375 1.437 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000414826254 398048143 /nfs/dbraw/zinc/04/81/43/398048143.db2.gz VFQNEKCSPREFSN-SMDDNHRTSA-N 2 0 218.344 1.871 20 0 BDADRP c1cc2c(c(C[NH2+]C[C@@H]3CCC[NH2+]C3)c1)NCC2 ZINC000414826575 398048944 /nfs/dbraw/zinc/04/89/44/398048944.db2.gz JENLLPQMJWFJAS-GFCCVEGCSA-N 2 0 245.370 1.744 20 0 BDADRP CC[C@H]1C[N@H+](Cc2cccc(N)c2)CC[C@H]1[NH3+] ZINC000647934803 398034444 /nfs/dbraw/zinc/03/44/44/398034444.db2.gz REJIQZRGBQEURW-GXTWGEPZSA-N 2 0 233.359 1.828 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc2c(c1)COC2 ZINC000414792301 398039516 /nfs/dbraw/zinc/03/95/16/398039516.db2.gz CCCVVFGBYFONNQ-IUODEOHRSA-N 2 0 246.354 1.934 20 0 BDADRP COCc1ccc(CN2CC[C@@H]([NH3+])C[C@H]2C)o1 ZINC000382767388 397972208 /nfs/dbraw/zinc/97/22/08/397972208.db2.gz UDJDHAOOKBWOBC-GHMZBOCLSA-N 2 0 238.331 1.738 20 0 BDADRP CC[N@H+](CC[C@@H]1CCC[NH+]1C)[C@@H]1CCCOC1 ZINC000649755866 398087757 /nfs/dbraw/zinc/08/77/57/398087757.db2.gz ZTPSSDOQJDDDEZ-UONOGXRCSA-N 2 0 240.391 1.972 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000054240516 398101299 /nfs/dbraw/zinc/10/12/99/398101299.db2.gz VJVBERHVIUGXPA-DGCLKSJQSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000384711459 398103509 /nfs/dbraw/zinc/10/35/09/398103509.db2.gz GKZAHRRNLAQORW-QNWJLWSRSA-N 2 0 226.364 1.673 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1CO ZINC000521609708 398097558 /nfs/dbraw/zinc/09/75/58/398097558.db2.gz IJVXIFZYRBGXMP-SMDDNHRTSA-N 2 0 234.343 1.396 20 0 BDADRP CC(C)C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000061935414 398109275 /nfs/dbraw/zinc/10/92/75/398109275.db2.gz OIRVZLOZVRDCJW-ZDUSSCGKSA-N 2 0 228.380 1.733 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000393915702 398124898 /nfs/dbraw/zinc/12/48/98/398124898.db2.gz SRDFDBKAXUCHOF-JHJVBQTASA-N 2 0 226.364 1.628 20 0 BDADRP C[NH2+]CCCN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000257776819 322874072 /nfs/dbraw/zinc/87/40/72/322874072.db2.gz YZOWOTJCMBRQTJ-ZDUSSCGKSA-N 2 0 225.380 1.156 20 0 BDADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000258801010 322876163 /nfs/dbraw/zinc/87/61/63/322876163.db2.gz CECKVSZIMPOKOY-QWHCGFSZSA-N 3 0 225.380 1.188 20 0 BDADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000258801006 322875876 /nfs/dbraw/zinc/87/58/76/322875876.db2.gz CECKVSZIMPOKOY-CHWSQXEVSA-N 3 0 225.380 1.188 20 0 BDADRP COc1cccc(C[NH2+]CC[C@H]2CC[NH2+]C2)c1 ZINC000258886047 322877884 /nfs/dbraw/zinc/87/78/84/322877884.db2.gz CCAPWOPLMRGIKD-GFCCVEGCSA-N 2 0 234.343 1.784 20 0 BDADRP COc1ccc(C[NH2+]C[C@H](C)C[NH3+])cc1OC ZINC000258846392 322878657 /nfs/dbraw/zinc/87/86/57/322878657.db2.gz WWNUEDGQIVNYPF-SNVBAGLBSA-N 2 0 238.331 1.388 20 0 BDADRP C[N@@H+]1CCCC12CCN([C@H]1CCCOC1)CC2 ZINC000680076721 487529695 /nfs/dbraw/zinc/52/96/95/487529695.db2.gz XBBAMNUJUCIFRT-ZDUSSCGKSA-N 2 0 238.375 1.726 20 0 BDADRP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000119763806 487562102 /nfs/dbraw/zinc/56/21/02/487562102.db2.gz PGIJKYTYLLJWOL-SGMGOOAPSA-N 2 0 240.391 1.731 20 0 BDADRP CC[NH+]1CCC(C[NH2+]Cc2[nH]ncc2C)CC1 ZINC000685615058 487564456 /nfs/dbraw/zinc/56/44/56/487564456.db2.gz HXQZSVQUXQUIAM-UHFFFAOYSA-N 2 0 236.363 1.540 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000334848771 487574143 /nfs/dbraw/zinc/57/41/43/487574143.db2.gz SFOYYGKWOBLZQC-KPFVRQRISA-N 3 0 225.380 1.363 20 0 BDADRP CC(C)OCCC[NH+]1CCC([NH3+])CC1 ZINC000057490760 167213598 /nfs/dbraw/zinc/21/35/98/167213598.db2.gz RGOOTUUSKYPVEV-UHFFFAOYSA-N 2 0 200.326 1.225 20 0 BDADRP CC(C)OCCC[NH2+]CC1([NH3+])CCC1 ZINC000336749100 167219763 /nfs/dbraw/zinc/21/97/63/167219763.db2.gz DVFXRPSHMDJOGR-UHFFFAOYSA-N 2 0 200.326 1.273 20 0 BDADRP CO[C@@H](C[NH+]1CCC([NH3+])CC1)C1CCC1 ZINC000662241909 409528178 /nfs/dbraw/zinc/52/81/78/409528178.db2.gz YMMGXHHIPRCFHL-LBPRGKRZSA-N 2 0 212.337 1.225 20 0 BDADRP C[C@@H]1CC[C@@H](C)[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662253736 409552633 /nfs/dbraw/zinc/55/26/33/409552633.db2.gz CAMVOEVSNSBECC-UPJWGTAASA-N 2 0 238.375 1.628 20 0 BDADRP OCC1([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC[NH2+]CC1 ZINC000662284398 409614750 /nfs/dbraw/zinc/61/47/50/409614750.db2.gz MWRKITSOKZVSKY-FRRDWIJNSA-N 2 0 238.375 1.127 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000662420601 409706794 /nfs/dbraw/zinc/70/67/94/409706794.db2.gz DDQUCDULSBCJSS-LSJOCFKGSA-N 2 0 233.315 1.382 20 0 BDADRP CC[C@@H]([NH2+]C)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000662425661 409709037 /nfs/dbraw/zinc/70/90/37/409709037.db2.gz GOIRDOLNOUNVDN-GXFFZTMASA-N 2 0 249.358 1.321 20 0 BDADRP C[C@@H]([NH3+])CCC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662621828 409793300 /nfs/dbraw/zinc/79/33/00/409793300.db2.gz XAACXYSNUYEGHJ-MNOVXSKESA-N 2 0 241.379 1.103 20 0 BDADRP C[C@H]([NH3+])CCC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662621830 409793497 /nfs/dbraw/zinc/79/34/97/409793497.db2.gz XAACXYSNUYEGHJ-WDEREUQCSA-N 2 0 241.379 1.103 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(CO)cc2)CC[N@@H+]1C ZINC000133121351 410105793 /nfs/dbraw/zinc/10/57/93/410105793.db2.gz GOZIUUAOASGQDA-IUODEOHRSA-N 2 0 248.370 1.751 20 0 BDADRP C[C@H]([NH3+])CCC(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000653239501 410182006 /nfs/dbraw/zinc/18/20/06/410182006.db2.gz ARMQZBAWEJNVQJ-WOPDTQHZSA-N 2 0 241.379 1.090 20 0 BDADRP C[NH2+]C[C@H](C)N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000663512945 410282593 /nfs/dbraw/zinc/28/25/93/410282593.db2.gz HWXDIXIJRHGFAZ-ZDEQEGDKSA-N 2 0 225.380 1.105 20 0 BDADRP Cc1noc(C)c1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650711940 410342262 /nfs/dbraw/zinc/34/22/62/410342262.db2.gz JWQQKCWSOCDQNC-UHFFFAOYSA-N 2 0 223.320 1.510 20 0 BDADRP [NH3+]CC1(CC[NH2+]Cc2cncs2)CC1 ZINC000650712437 410343194 /nfs/dbraw/zinc/34/31/94/410343194.db2.gz CTBMSHVHKIPVOF-UHFFFAOYSA-N 2 0 211.334 1.362 20 0 BDADRP C[C@H](CO)C1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000650715197 410351174 /nfs/dbraw/zinc/35/11/74/410351174.db2.gz UBJAKLMEFMSWBX-OLZOCXBDSA-N 2 0 240.391 1.326 20 0 BDADRP CC(C)[C@H]1C[C@@H]([NH2+]CCC2(C[NH3+])CC2)CCO1 ZINC000650713405 410351681 /nfs/dbraw/zinc/35/16/81/410351681.db2.gz RVYXYYCEPIZYQF-QWHCGFSZSA-N 2 0 240.391 1.909 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+]CC2CC2)c(F)c1 ZINC000650718287 410356242 /nfs/dbraw/zinc/35/62/42/410356242.db2.gz FWMKFTVYLBDNPL-UHFFFAOYSA-N 2 0 208.280 1.784 20 0 BDADRP C(CC1CC[NH2+]CC1)[NH2+]C1CCSCC1 ZINC000650763960 410415190 /nfs/dbraw/zinc/41/51/90/410415190.db2.gz NACUBRWZZONSAH-UHFFFAOYSA-N 2 0 228.405 1.861 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CCC(CC[NH3+])CC1 ZINC000650722285 410361298 /nfs/dbraw/zinc/36/12/98/410361298.db2.gz ORIRZBCIDIIMKP-ZDUSSCGKSA-N 3 0 227.396 1.421 20 0 BDADRP CC(C)C[N@H+](C)CCCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000650739827 410371731 /nfs/dbraw/zinc/37/17/31/410371731.db2.gz AAHTXQZDZMUMGM-KGLIPLIRSA-N 2 0 241.423 1.681 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCC2(C[NH3+])CC2)CCO1 ZINC000650745792 410382553 /nfs/dbraw/zinc/38/25/53/410382553.db2.gz NYVSCOSDVISPLD-QWRGUYRKSA-N 2 0 212.337 1.273 20 0 BDADRP Cc1n[nH]cc1[C@@H](C)[NH2+]CCC1(C[NH3+])CC1 ZINC000650745818 410383112 /nfs/dbraw/zinc/38/31/12/410383112.db2.gz OJLWMSOBYSZNJD-SECBINFHSA-N 2 0 222.336 1.498 20 0 BDADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccncc1 ZINC000650745159 410383332 /nfs/dbraw/zinc/38/33/32/410383332.db2.gz AUDXJGIZAKRYCD-LLVKDONJSA-N 2 0 219.332 1.861 20 0 BDADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)[C@H]1CCCO1 ZINC000650746861 410384950 /nfs/dbraw/zinc/38/49/50/410384950.db2.gz MKXQDDNSMHTYGH-WDEREUQCSA-N 2 0 212.337 1.273 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCC2(C[NH3+])CC2)[C@H](C)O1 ZINC000650747650 410387491 /nfs/dbraw/zinc/38/74/91/410387491.db2.gz FANZAXRRXQYVRG-OUAUKWLOSA-N 2 0 212.337 1.271 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000650755864 410398636 /nfs/dbraw/zinc/39/86/36/410398636.db2.gz OLGUQUPKJINEID-IUODEOHRSA-N 3 0 247.386 1.623 20 0 BDADRP C[NH2+]Cc1ccccc1CN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000650755870 410399622 /nfs/dbraw/zinc/39/96/22/410399622.db2.gz OPHWQLUTBFXTMT-IUODEOHRSA-N 2 0 247.386 1.636 20 0 BDADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)[C@@H]1CCCC[NH2+]1 ZINC000650762011 410410680 /nfs/dbraw/zinc/41/06/80/410410680.db2.gz QBHNGWLGQXIFGS-JSGCOSHPSA-N 3 0 239.407 1.496 20 0 BDADRP CC[C@@H]([NH2+]CCC1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000650762260 410411209 /nfs/dbraw/zinc/41/12/09/410411209.db2.gz YITXQNRKHZXXHO-KGLIPLIRSA-N 3 0 239.407 1.496 20 0 BDADRP CO[C@@H](C[NH2+]CC1CC[NH+](C)CC1)C1CC1 ZINC000393494942 410703760 /nfs/dbraw/zinc/70/37/60/410703760.db2.gz PBOBMEVZHBBQDS-ZDUSSCGKSA-N 2 0 226.364 1.343 20 0 BDADRP C[C@@H]([NH2+][C@@H]1COCC1(C)C)C1CC[NH+](C)CC1 ZINC000313073855 410737573 /nfs/dbraw/zinc/73/75/73/410737573.db2.gz YYPMMMKYATXIFN-DGCLKSJQSA-N 2 0 240.391 1.731 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)C(C)(C)O ZINC000394008839 410774793 /nfs/dbraw/zinc/77/47/93/410774793.db2.gz GWRNUBDGMGBBIX-AAEUAGOBSA-N 2 0 242.407 1.856 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000653299344 410816843 /nfs/dbraw/zinc/81/68/43/410816843.db2.gz PSAKQDUBHNWCGT-OCCSQVGLSA-N 3 0 239.407 1.578 20 0 BDADRP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000665298509 410831503 /nfs/dbraw/zinc/83/15/03/410831503.db2.gz XFHIFRKFGIDESH-RFQIPJPRSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCNC1)C1CC[NH+](C)CC1 ZINC000396470020 410885956 /nfs/dbraw/zinc/88/59/56/410885956.db2.gz WPGDDYQJBCCBNW-WCQYABFASA-N 2 0 225.380 1.058 20 0 BDADRP CCC(C)(C)[NH+]1CCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000655494912 410882820 /nfs/dbraw/zinc/88/28/20/410882820.db2.gz RBTWBIFIQJHOKX-UHFFFAOYSA-N 2 0 241.379 1.057 20 0 BDADRP CC(C)C[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000052379277 167006874 /nfs/dbraw/zinc/00/68/74/167006874.db2.gz IZWVTBSZXWUJEY-ZDUSSCGKSA-N 2 0 227.396 1.116 20 0 BDADRP CC(C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000336468292 167094905 /nfs/dbraw/zinc/09/49/05/167094905.db2.gz PBUAVJSMHSELOY-OLZOCXBDSA-N 2 0 226.364 1.362 20 0 BDADRP CC(C)[NH2+]C1CC[NH+](C[C@H](O)C(C)(C)C)CC1 ZINC000336699033 167095181 /nfs/dbraw/zinc/09/51/81/167095181.db2.gz KAQGADQNLMXKPP-ZDUSSCGKSA-N 2 0 242.407 1.856 20 0 BDADRP CC(C)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000037477330 167104003 /nfs/dbraw/zinc/10/40/03/167104003.db2.gz ONKDLBGGYQSIHU-UHFFFAOYSA-N 2 0 213.369 1.010 20 0 BDADRP CC(C)OCCCC[NH2+][C@H](C)CCC[NH3+] ZINC000336674036 167207627 /nfs/dbraw/zinc/20/76/27/167207627.db2.gz GZRADVVLVBGFKM-GFCCVEGCSA-N 2 0 216.369 1.909 20 0 BDADRP CC(C)OCCC[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000309420017 167216692 /nfs/dbraw/zinc/21/66/92/167216692.db2.gz JTCCATGKWTULIJ-RYUDHWBXSA-N 2 0 214.353 1.471 20 0 BDADRP CC(C)OCC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357101317 167230920 /nfs/dbraw/zinc/23/09/20/167230920.db2.gz HJVZLCWNRRKUGA-AWEZNQCLSA-N 2 0 240.391 1.733 20 0 BDADRP CC(C)OCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000128144006 167246977 /nfs/dbraw/zinc/24/69/77/167246977.db2.gz QKNWLXXHBUJCKX-NEPJUHHUSA-N 2 0 214.353 1.484 20 0 BDADRP CC(C)[C@@H](C)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000120855370 167382879 /nfs/dbraw/zinc/38/28/79/167382879.db2.gz HKMUALFQDORWJB-UONOGXRCSA-N 2 0 241.423 1.504 20 0 BDADRP C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCCC[NH2+]1 ZINC000300136695 411077716 /nfs/dbraw/zinc/07/77/16/411077716.db2.gz RLGWJVDBYMKCFX-MJBXVCDLSA-N 2 0 237.391 1.345 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H](CO)CCF)CC1 ZINC000652024933 411081805 /nfs/dbraw/zinc/08/18/05/411081805.db2.gz PSCSXAPBTCOABL-GFCCVEGCSA-N 2 0 232.343 1.171 20 0 BDADRP CCN(CC)C[C@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000309322486 411028908 /nfs/dbraw/zinc/02/89/08/411028908.db2.gz HFDRYQUOZOGSAF-STQMWFEESA-N 2 0 229.412 1.824 20 0 BDADRP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CCCCO1 ZINC000400934113 411162968 /nfs/dbraw/zinc/16/29/68/411162968.db2.gz JYBGSRJYNNNPMX-REWJHTLYSA-N 2 0 238.375 1.533 20 0 BDADRP CCc1noc(CN2CCC[C@@H](CC[NH3+])C2)n1 ZINC000070170544 411137287 /nfs/dbraw/zinc/13/72/87/411137287.db2.gz HDLUROVYNBAHDB-JTQLQIEISA-N 2 0 238.335 1.193 20 0 BDADRP CCn1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000400915471 411163539 /nfs/dbraw/zinc/16/35/39/411163539.db2.gz CIXKUFXQPQYCLZ-MGPQQGTHSA-N 2 0 248.374 1.381 20 0 BDADRP COCC[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000045044483 411143631 /nfs/dbraw/zinc/14/36/31/411143631.db2.gz XFOAUPHLXATCJG-IHRRRGAJSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CCO[C@@H]1C ZINC000651865710 411147646 /nfs/dbraw/zinc/14/76/46/411147646.db2.gz FMLKVAFEARLMQW-OLZOCXBDSA-N 2 0 228.380 1.731 20 0 BDADRP CC(C)C[N@H+](C)CCCNC1CSC1 ZINC000651866114 411147771 /nfs/dbraw/zinc/14/77/71/411147771.db2.gz VNKZRTJOVKVKAZ-UHFFFAOYSA-N 2 0 216.394 1.669 20 0 BDADRP Cc1ncccc1CN[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000655941097 411160538 /nfs/dbraw/zinc/16/05/38/411160538.db2.gz MDSLYDXKSCAOQL-SCDSUCTJSA-N 2 0 233.359 1.866 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401030988 411173501 /nfs/dbraw/zinc/17/35/01/411173501.db2.gz LFFCQYFEUFVESL-XJFOESAGSA-N 2 0 240.391 1.515 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401030990 411173679 /nfs/dbraw/zinc/17/36/79/411173679.db2.gz LFFCQYFEUFVESL-ZOBORPQBSA-N 2 0 240.391 1.515 20 0 BDADRP C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401028663 411173683 /nfs/dbraw/zinc/17/36/83/411173683.db2.gz KKLQDNQWIYKBJE-MLGHIDQZSA-N 2 0 240.416 1.716 20 0 BDADRP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCCS1 ZINC000401052364 411174581 /nfs/dbraw/zinc/17/45/81/411174581.db2.gz YYBDKIKUHGUNSG-XQHKEYJVSA-N 2 0 240.416 1.860 20 0 BDADRP COCCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401080264 411176409 /nfs/dbraw/zinc/17/64/09/411176409.db2.gz QZEKYWUXGYGNHB-RWMBFGLXSA-N 2 0 226.364 1.391 20 0 BDADRP C[N@H+](C[C@H]1CC[NH2+]C1)C(C1CC1)C1CC1 ZINC000309663429 411197012 /nfs/dbraw/zinc/19/70/12/411197012.db2.gz ZDEXEJXEPKLETR-JTQLQIEISA-N 2 0 208.349 1.716 20 0 BDADRP COC1([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)CCC1 ZINC000658018233 411198507 /nfs/dbraw/zinc/19/85/07/411198507.db2.gz PLLRCOGCXLWURJ-NWDGAFQWSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@H](O)C[N@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)C1CC1 ZINC000656194209 411199928 /nfs/dbraw/zinc/19/99/28/411199928.db2.gz DTIKEXNADARRQC-SDDRHHMPSA-N 2 0 226.364 1.220 20 0 BDADRP C[C@H](C[NH2+][C@H]1COC2(CCC2)C1)C[NH+](C)C ZINC000658019208 411199977 /nfs/dbraw/zinc/19/99/77/411199977.db2.gz WAHDMXJENSNGDB-VXGBXAGGSA-N 2 0 226.364 1.485 20 0 BDADRP CCC1(O)CCC([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000656198196 411202846 /nfs/dbraw/zinc/20/28/46/411202846.db2.gz MKGMHEBMVJEMAR-ZIHBUVQPSA-N 2 0 240.391 1.930 20 0 BDADRP Cc1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c(=O)n1C ZINC000656198729 411203074 /nfs/dbraw/zinc/20/30/74/411203074.db2.gz FPSHJRPDLSZAOF-STQMWFEESA-N 2 0 249.358 1.053 20 0 BDADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000656198350 411203095 /nfs/dbraw/zinc/20/30/95/411203095.db2.gz PPGYKLJLZHIAFR-YVECIDJPSA-N 2 0 226.364 1.661 20 0 BDADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000656198349 411203182 /nfs/dbraw/zinc/20/31/82/411203182.db2.gz PPGYKLJLZHIAFR-MROQNXINSA-N 2 0 226.364 1.661 20 0 BDADRP COCC1(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000656199837 411204603 /nfs/dbraw/zinc/20/46/03/411204603.db2.gz FJAIAMVISPUQJQ-VXGBXAGGSA-N 2 0 226.364 1.663 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1CCC[NH2+]1 ZINC000656200086 411204815 /nfs/dbraw/zinc/20/48/15/411204815.db2.gz JKLPVUFXWGAHQJ-RVMXOQNASA-N 3 0 225.380 1.057 20 0 BDADRP C[C@H](Cc1ccccn1)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000656201064 411205861 /nfs/dbraw/zinc/20/58/61/411205861.db2.gz JHSSBYKNZIFHDQ-GHMZBOCLSA-N 2 0 219.332 1.210 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656201179 411206301 /nfs/dbraw/zinc/20/63/01/411206301.db2.gz ULMNJOLGQUHUPG-FQUUOJAGSA-N 2 0 239.407 1.304 20 0 BDADRP CCC[NH+]1CCC(NC[C@@H](C)C[NH+](C)C)CC1 ZINC000310258186 411230707 /nfs/dbraw/zinc/23/07/07/411230707.db2.gz PURRKEUXVNNMEH-CYBMUJFWSA-N 2 0 241.423 1.648 20 0 BDADRP CC[N@H+](CCN[C@@H]1CCCCC[C@@H]1[NH3+])C1CC1 ZINC000422883710 411233865 /nfs/dbraw/zinc/23/38/65/411233865.db2.gz VKTUNLYJJQJGOE-UONOGXRCSA-N 2 0 239.407 1.720 20 0 BDADRP COC[C@H](CC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)OC ZINC000658082034 411233914 /nfs/dbraw/zinc/23/39/14/411233914.db2.gz FZAKDFGLNPDSPD-UPJWGTAASA-N 2 0 244.379 1.110 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCc1ccccc1O ZINC000422976274 411235088 /nfs/dbraw/zinc/23/50/88/411235088.db2.gz UVKRISYYFKVXKD-NEPJUHHUSA-N 2 0 220.316 1.404 20 0 BDADRP CC[C@H]([NH2+]C[C@](C)(O)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000422976511 411236441 /nfs/dbraw/zinc/23/64/41/411236441.db2.gz IMWXTLPECJLNTH-AVGNSLFASA-N 2 0 226.364 1.268 20 0 BDADRP C[C@@H]([NH2+][C@@H]1C[C@H]1c1ccccc1F)C1C[NH2+]C1 ZINC000423173469 411236662 /nfs/dbraw/zinc/23/66/62/411236662.db2.gz YVXLFPDVPYKTJE-LJWDBELGSA-N 2 0 234.318 1.879 20 0 BDADRP CC[NH2+]CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000423233131 411237871 /nfs/dbraw/zinc/23/78/71/411237871.db2.gz JCUKAFPTIVPPHC-XQQFMLRXSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@H]1c1ccco1)[C@@H]1CC[NH2+]C1 ZINC000423173923 411238076 /nfs/dbraw/zinc/23/80/76/411238076.db2.gz AOVKHKHUQUBIHQ-IRCOFANPSA-N 2 0 220.316 1.723 20 0 BDADRP COCC[C@@H](C)[NH2+][C@@H]1CCN(C(C)(C)C)C1 ZINC000658091411 411241747 /nfs/dbraw/zinc/24/17/47/411241747.db2.gz MFSNAEKGJLRZHL-VXGBXAGGSA-N 2 0 228.380 1.874 20 0 BDADRP C1=CCN(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000400976510 411167356 /nfs/dbraw/zinc/16/73/56/411167356.db2.gz SAAGLUMVDZBHGE-RRFJBIMHSA-N 2 0 249.402 1.226 20 0 BDADRP C[N@H+](CCCC1CC[NH2+]CC1)C[C@H]1CCCO1 ZINC000050953249 411268804 /nfs/dbraw/zinc/26/88/04/411268804.db2.gz MHDUSQOKZAXTPG-CQSZACIVSA-N 2 0 240.391 1.877 20 0 BDADRP CC[N@H+](CCC[NH2+]C)[C@H]1CCCOC1 ZINC000402594354 411269993 /nfs/dbraw/zinc/26/99/93/411269993.db2.gz NIIMEAHTZFHLJX-NSHDSACASA-N 2 0 200.326 1.097 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@H](C)C2(CO)CC2)CC1 ZINC000658159518 411272191 /nfs/dbraw/zinc/27/21/91/411272191.db2.gz KHLKCAZUAJQODX-GFCCVEGCSA-N 2 0 240.391 1.610 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C2(CO)CC2)[C@H](C)C1 ZINC000658162416 411276420 /nfs/dbraw/zinc/27/64/20/411276420.db2.gz XJOFKCQGLSRNEP-AGIUHOORSA-N 2 0 240.391 1.467 20 0 BDADRP c1c(C[NH2+]C2CCCC2)nnn1[C@H]1CCC[NH2+]C1 ZINC000656468111 411279897 /nfs/dbraw/zinc/27/98/97/411279897.db2.gz UKMBISLHURVLSJ-ZDUSSCGKSA-N 2 0 249.362 1.235 20 0 BDADRP C[C@H](C[NH2+]Cc1ccc(CO)cc1)C[NH+](C)C ZINC000383559582 411292153 /nfs/dbraw/zinc/29/21/53/411292153.db2.gz DPSNIANWIRRIHN-GFCCVEGCSA-N 2 0 236.359 1.466 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC3(F)CC3)C[C@@H]21 ZINC000309420163 411307109 /nfs/dbraw/zinc/30/71/09/411307109.db2.gz XUMCPRMISLXCHB-OUAUKWLOSA-N 2 0 212.312 1.548 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000309056347 411314921 /nfs/dbraw/zinc/31/49/21/411314921.db2.gz SVURJAHXRFXVMC-FVCCEPFGSA-N 2 0 210.365 1.962 20 0 BDADRP CC[C@@H](O)C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000062071269 411325931 /nfs/dbraw/zinc/32/59/31/411325931.db2.gz ZYHLZEHWFLKYGJ-VXGBXAGGSA-N 2 0 214.353 1.079 20 0 BDADRP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CCC1)[C@@H]1CCC[NH2+]1 ZINC000424380639 411249591 /nfs/dbraw/zinc/24/95/91/411249591.db2.gz XHJCSDWHBGLJSY-LPTSXCQYSA-N 2 0 208.349 1.905 20 0 BDADRP [NH3+]CCCNc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000656792399 411372673 /nfs/dbraw/zinc/37/26/73/411372673.db2.gz LKMCXROMZFOQEV-CYBMUJFWSA-N 2 0 235.331 1.108 20 0 BDADRP C[C@@H](C[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1)C(C)(C)C ZINC000304282619 411358326 /nfs/dbraw/zinc/35/83/26/411358326.db2.gz MLCOKDJPUDWUBO-SRVKXCTJSA-N 2 0 228.380 1.717 20 0 BDADRP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1cccc(N)c1 ZINC000656784929 411361523 /nfs/dbraw/zinc/36/15/23/411361523.db2.gz HYZXYBUKMRQZBZ-SMDDNHRTSA-N 2 0 233.359 1.889 20 0 BDADRP Cc1nn(C(C)C)cc1CN(C)CC(C)(C)[NH3+] ZINC000656784244 411361639 /nfs/dbraw/zinc/36/16/39/411361639.db2.gz BOUOPBDSWYBMTE-UHFFFAOYSA-N 2 0 238.379 1.942 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+]Cc2cccc(N)c2)CC[NH2+]1 ZINC000656786304 411364386 /nfs/dbraw/zinc/36/43/86/411364386.db2.gz VWDZQHPFSGTMRS-YPMHNXCESA-N 2 0 233.359 1.747 20 0 BDADRP [NH3+]C1(C[NH2+][C@@H]2CCCOCC2)CCCC1 ZINC000656789651 411368697 /nfs/dbraw/zinc/36/86/97/411368697.db2.gz UOIIFJFQOXRKMW-LLVKDONJSA-N 2 0 212.337 1.417 20 0 BDADRP [NH3+]C1(C[NH2+][C@@H]2CCCSC2)CCCC1 ZINC000656789612 411369416 /nfs/dbraw/zinc/36/94/16/411369416.db2.gz SSYNEDBNVKTIOT-SNVBAGLBSA-N 2 0 214.378 1.743 20 0 BDADRP C[C@H]1C[C@H](C[N@H+](C)CC2=CCCOC2)CC[NH2+]1 ZINC000656791231 411370580 /nfs/dbraw/zinc/37/05/80/411370580.db2.gz XBCCRABWGINIBG-QWHCGFSZSA-N 2 0 238.375 1.653 20 0 BDADRP CO[C@@]1(C)C[C@H]1[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000658331687 411339174 /nfs/dbraw/zinc/33/91/74/411339174.db2.gz MISLCBUYIUMPAF-RTXFEEFZSA-N 2 0 226.364 1.484 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C2CCC2)C1 ZINC000653763488 411344418 /nfs/dbraw/zinc/34/44/18/411344418.db2.gz LZDFPVCYYDQNOS-ZIAGYGMSSA-N 2 0 240.391 1.421 20 0 BDADRP CC1CC[NH+](CCCNC2CC[NH2+]CC2)CC1 ZINC000038040729 168180018 /nfs/dbraw/zinc/18/00/18/168180018.db2.gz WWLZZSAYNAJAIJ-UHFFFAOYSA-N 2 0 239.407 1.450 20 0 BDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC1(CO)CC1 ZINC000122357407 411429719 /nfs/dbraw/zinc/42/97/19/411429719.db2.gz HPUCVGGNSLVZEG-CHWSQXEVSA-N 2 0 240.391 1.659 20 0 BDADRP CCO[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1C[NH3+] ZINC000405550354 411434476 /nfs/dbraw/zinc/43/44/76/411434476.db2.gz YOOVXXWBTJDBBL-ZIAGYGMSSA-N 2 0 240.391 1.862 20 0 BDADRP C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000306285660 411441285 /nfs/dbraw/zinc/44/12/85/411441285.db2.gz JXUADLHGQYTHAD-VLEAKVRGSA-N 2 0 214.378 1.597 20 0 BDADRP CC[C@H]1C[C@H]([NH2+]CCCn2ccnc2)CO1 ZINC000657286911 411445305 /nfs/dbraw/zinc/44/53/05/411445305.db2.gz SOFDVCHMXGBLBD-RYUDHWBXSA-N 2 0 223.320 1.430 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000414819045 411447185 /nfs/dbraw/zinc/44/71/85/411447185.db2.gz GLVXJWZLIAJNJY-RQJABVFESA-N 3 0 239.407 1.352 20 0 BDADRP CC[C@H]1C[C@@H]([NH2+]CCC2CC[NH+](C)CC2)CO1 ZINC000657348346 411475108 /nfs/dbraw/zinc/47/51/08/411475108.db2.gz SGHKFCTUVFNCQN-KGLIPLIRSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)CO1 ZINC000657359453 411476991 /nfs/dbraw/zinc/47/69/91/411476991.db2.gz UUELGMMXDFEWIF-YNEHKIRRSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@]1(C[NH2+]CCc2ccccc2)CC[NH2+]C1 ZINC000415088838 411490677 /nfs/dbraw/zinc/49/06/77/411490677.db2.gz VRVYPNSQSWPPCS-AWEZNQCLSA-N 2 0 218.344 1.818 20 0 BDADRP CC(C)(C)[NH2+]CC[NH2+][C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000415089235 411491843 /nfs/dbraw/zinc/49/18/43/411491843.db2.gz NHIVLFZNYHZWKH-YNEHKIRRSA-N 2 0 240.391 1.922 20 0 BDADRP COc1cc[nH+]c(NCc2cnc3n2CCC3)c1 ZINC000657419014 411502367 /nfs/dbraw/zinc/50/23/67/411502367.db2.gz VWVHYUQKTNKERE-UHFFFAOYSA-N 2 0 244.298 1.845 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)CO1 ZINC000657430839 411507999 /nfs/dbraw/zinc/50/79/99/411507999.db2.gz TVIVKPFUXFTBMS-QWHCGFSZSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1COCC[C@H]1[NH2+]Cc1cnc2n1CCC2 ZINC000657450572 411511224 /nfs/dbraw/zinc/51/12/24/411511224.db2.gz RTNFERSCRVHDKX-ZYHUDNBSSA-N 2 0 235.331 1.344 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1C[C@H]1C ZINC000655803896 411518373 /nfs/dbraw/zinc/51/83/73/411518373.db2.gz HCVLLDZPNIPCRR-RXGFPQBGSA-N 2 0 210.365 1.961 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1CCCOC1 ZINC000655804876 411519048 /nfs/dbraw/zinc/51/90/48/411519048.db2.gz DVNJHQIEPZPHSK-IGQOVBAYSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@H]1COCC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655804058 411519669 /nfs/dbraw/zinc/51/96/69/411519669.db2.gz NQUNXURPGIYVDM-WUHRBBMRSA-N 2 0 226.364 1.341 20 0 BDADRP C[C@H]1OCC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805668 411520209 /nfs/dbraw/zinc/52/02/09/411520209.db2.gz RDSZXTNGHKIGSS-WISYIIOYSA-N 2 0 212.337 1.094 20 0 BDADRP CCOC[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805861 411520248 /nfs/dbraw/zinc/52/02/48/411520248.db2.gz MIHCPETTXFPAFX-SDDRHHMPSA-N 2 0 214.353 1.341 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCCOC2)C1 ZINC000655806527 411520252 /nfs/dbraw/zinc/52/02/52/411520252.db2.gz XWJNYQINSPXSKK-SDDRHHMPSA-N 2 0 212.337 1.095 20 0 BDADRP Cn1cnc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000660013784 411528541 /nfs/dbraw/zinc/52/85/41/411528541.db2.gz YSSQJEPCTDAJIB-TZMCWYRMSA-N 2 0 248.374 1.336 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CO[C@H](CC)C2)C1 ZINC000657327166 411465978 /nfs/dbraw/zinc/46/59/78/411465978.db2.gz ZCOLYUNJPWJDSC-MGPQQGTHSA-N 2 0 240.391 1.875 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)C(C)(C)OC)C1 ZINC000300921368 170007431 /nfs/dbraw/zinc/00/74/31/170007431.db2.gz DWMRCSBSGGDQPJ-RYUDHWBXSA-N 2 0 228.380 1.731 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCN2CCC2)[C@@H](C)C1 ZINC000336780569 170011867 /nfs/dbraw/zinc/01/18/67/170011867.db2.gz RRDFKSKEYDERBU-QWHCGFSZSA-N 2 0 225.380 1.012 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@H]2CCC=CO2)C1 ZINC000250332548 170015016 /nfs/dbraw/zinc/01/50/16/170015016.db2.gz ORCAHGSLGJRTPG-CHWSQXEVSA-N 2 0 224.348 1.611 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2CCCO2)C1 ZINC000309469003 170016906 /nfs/dbraw/zinc/01/69/06/170016906.db2.gz UARYFVHIBRTFGB-UPJWGTAASA-N 2 0 226.364 1.485 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](C)OC)C[C@@H]1C ZINC000336673352 170019759 /nfs/dbraw/zinc/01/97/59/170019759.db2.gz KQHVNGLAHBKBSI-AVGNSLFASA-N 2 0 228.380 1.826 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCCO2)[C@H](C)C1 ZINC000358024637 170021060 /nfs/dbraw/zinc/02/10/60/170021060.db2.gz RWGIJINRHXGBFQ-MCIONIFRSA-N 2 0 240.391 1.875 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@](C)(O)C(C)C)[C@@H](C)C1 ZINC000305099268 170021218 /nfs/dbraw/zinc/02/12/18/170021218.db2.gz AJKVUIMFBRTDHP-IHRRRGAJSA-N 2 0 242.407 1.713 20 0 BDADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@@H](C)C[NH+](C)C(C)C)C1 ZINC000353568074 170038216 /nfs/dbraw/zinc/03/82/16/170038216.db2.gz OTNJAMHLSINZLD-MELADBBJSA-N 2 0 241.423 1.645 20 0 BDADRP CCOC(=O)C(C)(C)NCCn1ccnc1C ZINC000270933659 170187725 /nfs/dbraw/zinc/18/77/25/170187725.db2.gz XINQSELSZAKDQQ-UHFFFAOYSA-N 2 0 239.319 1.123 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+]Cc2cnc3n2CCC3)C1 ZINC000657612300 411563173 /nfs/dbraw/zinc/56/31/73/411563173.db2.gz VPTKYABEDJAHTK-UMSPYCQHSA-N 2 0 235.331 1.486 20 0 BDADRP C[C@H]1CN(C)C[C@@H]1[NH2+]C[C@H]1CCC[C@@H](C)O1 ZINC000657662605 411575960 /nfs/dbraw/zinc/57/59/60/411575960.db2.gz BONFVYSSVXROLN-LOWDOPEQSA-N 2 0 226.364 1.484 20 0 BDADRP CCOC(C)(C)C[NH2+][C@@H]1CN(CC)C[C@H]1C ZINC000336777643 170313608 /nfs/dbraw/zinc/31/36/08/170313608.db2.gz JBGSWNUKMPAVCE-VXGBXAGGSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@H]1CN(C)C[C@@H]1[NH2+]CCC(C)(C)F ZINC000657645393 411568687 /nfs/dbraw/zinc/56/86/87/411568687.db2.gz UTWOTTQOEQZDAT-UWVGGRQHSA-N 2 0 202.317 1.664 20 0 BDADRP Cc1cc(CO)cc(NCCn2ccnc2)n1 ZINC000663330829 411626177 /nfs/dbraw/zinc/62/61/77/411626177.db2.gz DPPLWDYFRHRZTH-UHFFFAOYSA-N 2 0 232.287 1.191 20 0 BDADRP Cc1ncc(C[NH2+]C[C@@H](CO)CC2CC2)n1C ZINC000657713571 411586504 /nfs/dbraw/zinc/58/65/04/411586504.db2.gz DDBTWKYPCOBCGP-LBPRGKRZSA-N 2 0 237.347 1.227 20 0 BDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCCc1ccco1 ZINC000657783843 411594921 /nfs/dbraw/zinc/59/49/21/411594921.db2.gz XUMUUPLHRGXRHL-YPMHNXCESA-N 2 0 222.332 1.752 20 0 BDADRP C(C[NH2+][C@@H]1COC2(CCC2)C1)C[NH+]1CCCC1 ZINC000657823933 411607762 /nfs/dbraw/zinc/60/77/62/411607762.db2.gz MDYRGCWAADSAJP-ZDUSSCGKSA-N 2 0 238.375 1.774 20 0 BDADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@H]1CCCO1)C2 ZINC000660655064 411613285 /nfs/dbraw/zinc/61/32/85/411613285.db2.gz KGZUIUHWVHEEST-KGLIPLIRSA-N 2 0 238.375 1.583 20 0 BDADRP C[C@@H](O)CC[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660660809 411614186 /nfs/dbraw/zinc/61/41/86/411614186.db2.gz AWGCXOMRKVMIFN-CHWSQXEVSA-N 2 0 226.364 1.175 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@H]2COC3(CCC3)C2)CC1 ZINC000657872633 411615031 /nfs/dbraw/zinc/61/50/31/411615031.db2.gz OMQXAZSAZNSVAT-ZDUSSCGKSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@@H](CO)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660665948 411616000 /nfs/dbraw/zinc/61/60/00/411616000.db2.gz ZZLZRAKPOPAFMK-OLZOCXBDSA-N 2 0 226.364 1.033 20 0 BDADRP C(N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)[C@]12C[C@H]1C[NH2+]C2 ZINC000663494004 411672346 /nfs/dbraw/zinc/67/23/46/411672346.db2.gz GPSFGTBCKDMZQV-CBBWQLFWSA-N 2 0 249.402 1.060 20 0 BDADRP [NH3+]C[C@H](NC[C@]12C[C@H]1C[NH2+]C2)C1CCCCC1 ZINC000663493496 411673397 /nfs/dbraw/zinc/67/33/97/411673397.db2.gz IJUNWGUBWPRRGT-MELADBBJSA-N 2 0 237.391 1.093 20 0 BDADRP [NH3+]C1(CNC[C@@]23C[C@@H]2C[NH2+]C3)CCCCCC1 ZINC000663494591 411675172 /nfs/dbraw/zinc/67/51/72/411675172.db2.gz PRBAOVGCACKOOC-OLZOCXBDSA-N 2 0 237.391 1.237 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H]3C[C@@H]3C2)CC[NH2+]1 ZINC000663501134 411682816 /nfs/dbraw/zinc/68/28/16/411682816.db2.gz SQMQZWRNCAGEEJ-FDYHWXHSSA-N 2 0 208.349 1.716 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H]3COC[C@@H]3C2)CC[NH2+]1 ZINC000663500950 411683601 /nfs/dbraw/zinc/68/36/01/411683601.db2.gz QOAILJHHQHOHCB-MQYQWHSLSA-N 2 0 238.375 1.343 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+]CC[C@@H]1CCOC1 ZINC000663502045 411685756 /nfs/dbraw/zinc/68/57/56/411685756.db2.gz DROIKOJJVVVKLS-VXGBXAGGSA-N 2 0 214.353 1.376 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000663504286 411688073 /nfs/dbraw/zinc/68/80/73/411688073.db2.gz YGJFAZCOVSGEMV-JHJVBQTASA-N 3 0 227.396 1.338 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+]C[C@@H]1CCSC1 ZINC000663503020 411688250 /nfs/dbraw/zinc/68/82/50/411688250.db2.gz LXAFLYCXHWZZAI-WDEREUQCSA-N 2 0 216.394 1.703 20 0 BDADRP COC[C@H](C)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000132161584 411808068 /nfs/dbraw/zinc/80/80/68/411808068.db2.gz RLWNKAQYLLBYLB-RDBSUJKOSA-N 2 0 240.391 1.733 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000662139320 412001584 /nfs/dbraw/zinc/00/15/84/412001584.db2.gz ATYGBXMJHXKGHU-KGLIPLIRSA-N 2 0 242.407 1.669 20 0 BDADRP CCc1nocc1CN(C1CC1)C1CC[NH2+]CC1 ZINC000662235595 412034501 /nfs/dbraw/zinc/03/45/01/412034501.db2.gz RMUCIVVTEWQHJD-UHFFFAOYSA-N 2 0 249.358 1.953 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@H](OC)C2CCC2)CC[C@H]1[NH3+] ZINC000662270435 412059376 /nfs/dbraw/zinc/05/93/76/412059376.db2.gz KTWIITSETNQHAL-BNOWGMLFSA-N 2 0 240.391 1.861 20 0 BDADRP CC[C@@H](CC(F)F)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000662245248 412040851 /nfs/dbraw/zinc/04/08/51/412040851.db2.gz JMCNDVPBJUQHTA-UWVGGRQHSA-N 2 0 220.307 1.948 20 0 BDADRP CN(Cc1cccc2c1CC[NH2+]C2)[C@H]1CC[NH2+]C1 ZINC000662245597 412040971 /nfs/dbraw/zinc/04/09/71/412040971.db2.gz LSFDNEQWAWGHNN-AWEZNQCLSA-N 2 0 245.370 1.126 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662244745 412041882 /nfs/dbraw/zinc/04/18/82/412041882.db2.gz GUIQXOYGYBZUSM-GFCCVEGCSA-N 3 0 245.370 1.113 20 0 BDADRP Cc1cc(CN2CCC[C@H]([C@@H](C)[NH3+])C2)ncn1 ZINC000662244967 412042073 /nfs/dbraw/zinc/04/20/73/412042073.db2.gz KHMLACWFYIJWMJ-NEPJUHHUSA-N 2 0 234.347 1.344 20 0 BDADRP Cc1cc(CN2CCC[C@@H]([C@@H](C)[NH3+])C2)nc(C)n1 ZINC000662247485 412044359 /nfs/dbraw/zinc/04/43/59/412044359.db2.gz ZZOLLEZTBAKFSZ-DGCLKSJQSA-N 2 0 248.374 1.653 20 0 BDADRP CCC[N@H+](CC1CC1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250125 412046045 /nfs/dbraw/zinc/04/60/45/412046045.db2.gz YOXXQTNAVMMBLR-CYBMUJFWSA-N 2 0 238.375 1.629 20 0 BDADRP CC[C@@H]1CCCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249658 412046088 /nfs/dbraw/zinc/04/60/88/412046088.db2.gz RQUZQZVPCSJBKC-CHWSQXEVSA-N 2 0 238.375 1.772 20 0 BDADRP CCCC[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662248874 412047453 /nfs/dbraw/zinc/04/74/53/412047453.db2.gz DLQLOGRVHRZHFO-LLVKDONJSA-N 2 0 212.337 1.239 20 0 BDADRP C[C@H]([N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1)C(C)(C)C ZINC000662253133 412050253 /nfs/dbraw/zinc/05/02/53/412050253.db2.gz WLSDUSCUYILEOF-NWDGAFQWSA-N 2 0 240.391 1.874 20 0 BDADRP CC1(C)CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662257600 412051463 /nfs/dbraw/zinc/05/14/63/412051463.db2.gz OPDOZLMINWOQPE-LLVKDONJSA-N 2 0 224.348 1.382 20 0 BDADRP C[C@H]1c2ccccc2CC[N@H+]1C[C@H]1CNCCO1 ZINC000662258623 412053025 /nfs/dbraw/zinc/05/30/25/412053025.db2.gz VZMYMDRZUUGDJA-GXTWGEPZSA-N 2 0 246.354 1.594 20 0 BDADRP CC[C@@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)CCCO1 ZINC000336719044 171083111 /nfs/dbraw/zinc/08/31/11/171083111.db2.gz RWGOOEUFLKGKFV-UONOGXRCSA-N 2 0 240.391 1.972 20 0 BDADRP CC1(C)CCC[C@H]1[NH2+]C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662280440 412071620 /nfs/dbraw/zinc/07/16/20/412071620.db2.gz DNAWVCROTLGIQO-VXGBXAGGSA-N 2 0 238.375 1.676 20 0 BDADRP CC[C@@H]1COCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000036326757 171106901 /nfs/dbraw/zinc/10/69/01/171106901.db2.gz UFSOZDICZMQRGN-CYBMUJFWSA-N 2 0 226.364 1.487 20 0 BDADRP CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC1CC[NH2+]CC1 ZINC000042451981 171109937 /nfs/dbraw/zinc/10/99/37/171109937.db2.gz JHQOVMSFVBTHLZ-WCQYABFASA-N 2 0 226.364 1.485 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000295131153 171149720 /nfs/dbraw/zinc/14/97/20/171149720.db2.gz OMSOQODVFJSWCI-OLZOCXBDSA-N 2 0 247.342 1.472 20 0 BDADRP C[N@H+](C[C@@H](O)C[NH3+])C[C@@H]1CCCCC1(C)C ZINC000662278643 412071453 /nfs/dbraw/zinc/07/14/53/412071453.db2.gz ZTWNGSRGRHBUMG-RYUDHWBXSA-N 2 0 228.380 1.454 20 0 BDADRP Cc1cc(C[NH+]2CCC(CC[NH3+])CC2)ncn1 ZINC000662285058 412076925 /nfs/dbraw/zinc/07/69/25/412076925.db2.gz VLGUCSFQJIKFNP-UHFFFAOYSA-N 2 0 234.347 1.346 20 0 BDADRP CO[C@@H](C[NH+]1CCC2(CC[NH2+]2)CC1)C1CCC1 ZINC000662282091 412072502 /nfs/dbraw/zinc/07/25/02/412072502.db2.gz DBKWZVAOLPFGGS-ZDUSSCGKSA-N 2 0 238.375 1.629 20 0 BDADRP CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)C(C)C)[NH+](C)C ZINC000356761475 171232256 /nfs/dbraw/zinc/23/22/56/171232256.db2.gz FGFLIWMFDSXNIE-NWDGAFQWSA-N 2 0 243.395 1.172 20 0 BDADRP CC[C@H](C(=O)N[C@H](C)C[NH+](C)C)[NH+](CC)CC ZINC000346168580 171232969 /nfs/dbraw/zinc/23/29/69/171232969.db2.gz UARYRCQCCIBUIT-VXGBXAGGSA-N 2 0 243.395 1.173 20 0 BDADRP CC(C)(C)CCC[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662283748 412074814 /nfs/dbraw/zinc/07/48/14/412074814.db2.gz KFWWYCGLNWPXMI-UHFFFAOYSA-N 2 0 228.380 1.517 20 0 BDADRP CC[C@H](C)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000037480000 171340401 /nfs/dbraw/zinc/34/04/01/171340401.db2.gz XNVLUHXFMMOLGH-LBPRGKRZSA-N 2 0 227.396 1.401 20 0 BDADRP C[NH2+]CCC[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662293420 412081599 /nfs/dbraw/zinc/08/15/99/412081599.db2.gz RZTRRJWAJABDDY-AWEZNQCLSA-N 3 0 239.407 1.308 20 0 BDADRP CC[C@H](C)[C@@H](C)[NH2+]C[C@]1(O)CCN(C)C1 ZINC000309093962 171366002 /nfs/dbraw/zinc/36/60/02/171366002.db2.gz DGBDLPFTZQPFBO-QJPTWQEYSA-N 2 0 214.353 1.077 20 0 BDADRP CC[C@H](C)[C@@H](C[NH2+][C@H](C)CCC[NH3+])OC ZINC000362977645 171368230 /nfs/dbraw/zinc/36/82/30/171368230.db2.gz SOMISLACCZEYTJ-QJPTWQEYSA-N 2 0 216.369 1.765 20 0 BDADRP CN(Cc1cccc2c1CC[NH2+]C2)CC(C)(C)[NH3+] ZINC000662292900 412082214 /nfs/dbraw/zinc/08/22/14/412082214.db2.gz BQWDKJHUWOPIBA-UHFFFAOYSA-N 2 0 247.386 1.501 20 0 BDADRP CC[C@H](C)[C@H](C)[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000309093965 171389897 /nfs/dbraw/zinc/38/98/97/171389897.db2.gz DGBDLPFTZQPFBO-SRVKXCTJSA-N 2 0 214.353 1.077 20 0 BDADRP OCC[C@H]1CCCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000662299773 412087244 /nfs/dbraw/zinc/08/72/44/412087244.db2.gz XAUMSMUGWZQIFP-QWHCGFSZSA-N 2 0 226.364 1.223 20 0 BDADRP [NH3+]CC12CC(C1)C[N@@H+]2C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662305894 412090236 /nfs/dbraw/zinc/09/02/36/412090236.db2.gz NRHSZDORVYSCAM-VNAIHZQWSA-N 2 0 206.333 1.456 20 0 BDADRP C[C@]12COC[C@H]1C[N@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000662311035 412094484 /nfs/dbraw/zinc/09/44/84/412094484.db2.gz PUNVSDUCEZDBPC-MJBXVCDLSA-N 2 0 238.375 1.344 20 0 BDADRP C(C[N@@H+]1CC[C@H]2COC[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000662315463 412095633 /nfs/dbraw/zinc/09/56/33/412095633.db2.gz FWXCUEQFXBBZPY-IHRRRGAJSA-N 2 0 238.375 1.344 20 0 BDADRP C[C@H](N)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662315526 412095879 /nfs/dbraw/zinc/09/58/79/412095879.db2.gz HLOXFZFEIFPWHL-GRYCIOLGSA-N 2 0 213.369 1.173 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662314676 412096696 /nfs/dbraw/zinc/09/66/96/412096696.db2.gz ANRJKHVPSYYABX-CYBMUJFWSA-N 2 0 226.364 1.474 20 0 BDADRP C[N@H+](CC[C@H]1CC[NH2+]C1)C[C@@H]1CC1(C)C ZINC000662331677 412104667 /nfs/dbraw/zinc/10/46/67/412104667.db2.gz PVMPPOLGLKAPES-NEPJUHHUSA-N 2 0 210.365 1.964 20 0 BDADRP C[C@@H](N[C@H]1CC[N@@H+](C(C)(C)C)C1)[C@@H]1CCC[NH2+]1 ZINC000665235862 412175175 /nfs/dbraw/zinc/17/51/75/412175175.db2.gz BHNAJXZDMXYBRG-AGIUHOORSA-N 2 0 239.407 1.589 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC2([NH3+])CCCC2)CCO1 ZINC000665248218 412178170 /nfs/dbraw/zinc/17/81/70/412178170.db2.gz RYLCAMMNYMESPW-WDEREUQCSA-N 2 0 212.337 1.415 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C/C=C/CO ZINC000665239409 412180932 /nfs/dbraw/zinc/18/09/32/412180932.db2.gz SQVYQGCEBUAUOV-PBJSTTKNSA-N 2 0 226.364 1.435 20 0 BDADRP CC[C@@H]([NH2+]C)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000662472768 412188559 /nfs/dbraw/zinc/18/85/59/412188559.db2.gz AUUXPZOCSHUPQC-GHMZBOCLSA-N 2 0 243.395 1.077 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CC1([NH3+])CCCC1 ZINC000665246388 412190796 /nfs/dbraw/zinc/19/07/96/412190796.db2.gz DCKGOSXAIQYVQJ-LLVKDONJSA-N 3 0 213.369 1.365 20 0 BDADRP CC1(C)[C@H](C[NH2+][C@@H]2CCC[C@H]2C[NH3+])C1(F)F ZINC000665273724 412214919 /nfs/dbraw/zinc/21/49/19/412214919.db2.gz CIWHBNXUOWHSDZ-AEJSXWLSSA-N 2 0 232.318 1.995 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+]CC2([NH3+])CCCC2)C1 ZINC000665247135 412193454 /nfs/dbraw/zinc/19/34/54/412193454.db2.gz WILIHMRVUDVUPX-VXGBXAGGSA-N 2 0 226.364 1.805 20 0 BDADRP Cc1cncc(CC[NH2+][C@H]2CCC[C@H]2C[NH3+])n1 ZINC000665273675 412215028 /nfs/dbraw/zinc/21/50/28/412215028.db2.gz BNLIITLHDFBOMH-AAEUAGOBSA-N 2 0 234.347 1.045 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)C1C[NH2+]C1 ZINC000665273690 412215033 /nfs/dbraw/zinc/21/50/33/412215033.db2.gz BQVFXCIEMHJLBE-IONNQARKSA-N 2 0 218.291 1.475 20 0 BDADRP C[C@@H]1C[C@H](NCC2([NH3+])CCCC2)CC[N@@H+]1C ZINC000665249077 412194444 /nfs/dbraw/zinc/19/44/44/412194444.db2.gz JEHOFVHNWXNJMI-VXGBXAGGSA-N 2 0 225.380 1.330 20 0 BDADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCC(C)(C)F ZINC000665261968 412204713 /nfs/dbraw/zinc/20/47/13/412204713.db2.gz PZULSBYTFYMFPR-AXFHLTTASA-N 2 0 232.343 1.467 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCC(C)(C)F ZINC000665261969 412204815 /nfs/dbraw/zinc/20/48/15/412204815.db2.gz PZULSBYTFYMFPR-DCAQKATOSA-N 2 0 232.343 1.467 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])CC1(F)F ZINC000665265019 412209444 /nfs/dbraw/zinc/20/94/44/412209444.db2.gz NXWNQBABLFRHPJ-IVZWLZJFSA-N 2 0 218.291 1.749 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1(F)F ZINC000665266622 412210929 /nfs/dbraw/zinc/21/09/29/412210929.db2.gz GJUMOKHHEGVGMH-IVZWLZJFSA-N 2 0 218.291 1.891 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000665272522 412213677 /nfs/dbraw/zinc/21/36/77/412213677.db2.gz GWTNOZQQUFLXRP-IHRRRGAJSA-N 2 0 241.423 1.822 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)CC2([NH3+])CC2)cc1 ZINC000662422419 412162905 /nfs/dbraw/zinc/16/29/05/412162905.db2.gz OMQMKCDAKRCEIM-SECBINFHSA-N 2 0 233.315 1.526 20 0 BDADRP CC(C)[C@@H]([NH3+])CNC(=O)c1cccc2c1C[NH2+]C2 ZINC000662424491 412163449 /nfs/dbraw/zinc/16/34/49/412163449.db2.gz STTJLQWTPRIKTP-ZDUSSCGKSA-N 2 0 247.342 1.003 20 0 BDADRP COC1CC(CC[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000665230293 412167591 /nfs/dbraw/zinc/16/75/91/412167591.db2.gz MFSUJTXAASXYQW-BLYZHGLHSA-N 2 0 240.391 1.779 20 0 BDADRP Nc1cccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000665232598 412170568 /nfs/dbraw/zinc/17/05/68/412170568.db2.gz PXPHDNYFWUBIBN-WCQYABFASA-N 2 0 219.332 1.486 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]Cc2cccc(N)c2)CC[N@@H+]1C ZINC000665233863 412172417 /nfs/dbraw/zinc/17/24/17/412172417.db2.gz RKGYZYAHWBGLLO-BXUZGUMPSA-N 2 0 233.359 1.841 20 0 BDADRP OC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CCC1 ZINC000665234660 412173713 /nfs/dbraw/zinc/17/37/13/412173713.db2.gz IJGAXOVFKXMPDL-DGAVXFQQSA-N 2 0 238.375 1.125 20 0 BDADRP COC[C@@H](CC[NH2+]C1CCC(C[NH3+])CC1)OC ZINC000665235024 412174813 /nfs/dbraw/zinc/17/48/13/412174813.db2.gz OGEWJHBXGPFUFK-WXRRBKDZSA-N 2 0 244.379 1.145 20 0 BDADRP CC[C@@H]([NH2+]C)C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000662672853 412265816 /nfs/dbraw/zinc/26/58/16/412265816.db2.gz GEFYQPTVKRFFBM-VXGBXAGGSA-N 2 0 243.395 1.077 20 0 BDADRP CC(C)[C@H]([NH3+])CCNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000662730520 412287033 /nfs/dbraw/zinc/28/70/33/412287033.db2.gz HYZKEDMSNZYWDL-NWDGAFQWSA-N 2 0 241.379 1.008 20 0 BDADRP C[N@@H+]1CC[C@H](NCC23CC(C2)C[NH2+]3)[C@H]2CCC[C@H]21 ZINC000665279624 412223107 /nfs/dbraw/zinc/22/31/07/412223107.db2.gz HNFNXGLDEPXQDN-PEGGXJLSSA-N 2 0 249.402 1.201 20 0 BDADRP CO[C@H]1CCC[C@H]([NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC000665279988 412224884 /nfs/dbraw/zinc/22/48/84/412224884.db2.gz QUGQVWIKVSTXKP-ZFQMDJOTSA-N 2 0 224.348 1.286 20 0 BDADRP Cc1nn(C)cc1[C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000665280509 412225109 /nfs/dbraw/zinc/22/51/09/412225109.db2.gz DWVPSRUQMMEQGM-GXFFZTMASA-N 2 0 238.379 1.753 20 0 BDADRP CC(C)[C@@H](Cn1cccn1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665280362 412225139 /nfs/dbraw/zinc/22/51/39/412225139.db2.gz ZQJVACXXDSDHSH-ROKHWSDSSA-N 2 0 248.374 1.249 20 0 BDADRP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)[C@H]1CC1(C)C ZINC000665279925 412225465 /nfs/dbraw/zinc/22/54/65/412225465.db2.gz PKVFFKIQCAIJKH-YLXHPXFOSA-N 2 0 208.349 1.763 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000665282116 412225877 /nfs/dbraw/zinc/22/58/77/412225877.db2.gz RDHABNBVOWSWQN-GHMZBOCLSA-N 2 0 241.379 1.007 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)Cc1cnccn1 ZINC000665281603 412226224 /nfs/dbraw/zinc/22/62/24/412226224.db2.gz HNSBYPMHZCZLQC-WCQYABFASA-N 2 0 236.363 1.371 20 0 BDADRP CC[C@@H]([NH2+]C)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000662579491 412227221 /nfs/dbraw/zinc/22/72/21/412227221.db2.gz VSAOUGJTPIUCCU-GFCCVEGCSA-N 2 0 235.331 1.390 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCOC[C@H]1C ZINC000665282164 412227727 /nfs/dbraw/zinc/22/77/27/412227727.db2.gz SCABOLDPWVCIBK-IJLUTSLNSA-N 2 0 214.353 1.374 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCCc1ccco1 ZINC000665283852 412228585 /nfs/dbraw/zinc/22/85/85/412228585.db2.gz WEFPFRBSQAHSGC-WCQYABFASA-N 2 0 222.332 1.929 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1nccn1C ZINC000665283916 412229283 /nfs/dbraw/zinc/22/92/83/412229283.db2.gz XCMAIUNVCYVRFV-GHMZBOCLSA-N 2 0 224.352 1.588 20 0 BDADRP C[NH2+]C[C@@H](C)N[C@H](C)Cc1ccc(OC)nc1 ZINC000665298047 412244377 /nfs/dbraw/zinc/24/43/77/412244377.db2.gz QWSIEUZRPVLNOF-GHMZBOCLSA-N 2 0 237.347 1.219 20 0 BDADRP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000665298124 412246396 /nfs/dbraw/zinc/24/63/96/412246396.db2.gz SEXXYDTXBKJJCX-IGQOVBAYSA-N 2 0 240.391 1.779 20 0 BDADRP C[NH2+]C[C@H](C)NC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000662954274 412353964 /nfs/dbraw/zinc/35/39/64/412353964.db2.gz UHJNHNDLHHMZOR-GMXVVIOVSA-N 2 0 249.358 1.047 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(CO)cc1 ZINC000133055869 412392945 /nfs/dbraw/zinc/39/29/45/412392945.db2.gz NNGJQSWLGUNFHF-LBPRGKRZSA-N 2 0 236.359 1.609 20 0 BDADRP OCc1ccc(C[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000133077746 412401296 /nfs/dbraw/zinc/40/12/96/412401296.db2.gz LCIGKVFFXAOFOU-UHFFFAOYSA-N 2 0 248.370 1.754 20 0 BDADRP CCc1noc(C)c1CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000365859990 172077215 /nfs/dbraw/zinc/07/72/15/172077215.db2.gz OXODHPZVFJIOCY-TXEJJXNPSA-N 2 0 249.358 1.539 20 0 BDADRP C[NH+](C)C1CCC([NH2+]CC2CCOCC2)CC1 ZINC000353495182 172404813 /nfs/dbraw/zinc/40/48/13/172404813.db2.gz GVXKPUVNTUTEBM-UHFFFAOYSA-N 2 0 240.391 1.875 20 0 BDADRP C[NH+](C)C1CCN(C(=O)CCCCC[NH3+])CC1 ZINC000036192205 172405881 /nfs/dbraw/zinc/40/58/81/172405881.db2.gz VYZRRHJZYKZACC-UHFFFAOYSA-N 2 0 241.379 1.058 20 0 BDADRP CN(CC[NH2+]C(C)(C)C)CC1([NH+](C)C)CCC1 ZINC000097927431 172744332 /nfs/dbraw/zinc/74/43/32/172744332.db2.gz GGQISAFLTIRLMF-UHFFFAOYSA-N 2 0 241.423 1.791 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000368463265 173029377 /nfs/dbraw/zinc/02/93/77/173029377.db2.gz UAYBWNTVYIGULL-HZSPNIEDSA-N 2 0 238.375 1.628 20 0 BDADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CC3(O)CCC3)C2)C1 ZINC000336468714 173038913 /nfs/dbraw/zinc/03/89/13/173038913.db2.gz MPMCRPKPTKGIHN-CYBMUJFWSA-N 2 0 238.375 1.319 20 0 BDADRP C[N@H+](C[C@H]1CCOC1)C[C@H]1CCC[NH+](C)C1 ZINC000336701009 173042140 /nfs/dbraw/zinc/04/21/40/173042140.db2.gz LUDDRDUIVWCKKK-QWHCGFSZSA-N 2 0 226.364 1.297 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@]12CCOC2 ZINC000341977895 173049515 /nfs/dbraw/zinc/04/95/15/173049515.db2.gz WRFVLKWOLIHLJA-KBPBESRZSA-N 2 0 238.375 1.726 20 0 BDADRP C[N@@H+]1CCC[C@]2(CC[NH+](CC3(O)CCC3)C2)C1 ZINC000336468715 173061145 /nfs/dbraw/zinc/06/11/45/173061145.db2.gz MPMCRPKPTKGIHN-ZDUSSCGKSA-N 2 0 238.375 1.319 20 0 BDADRP C[NH+]1CCN(CCC[NH2+]C2CCCCC2)CC1 ZINC000020128486 173078163 /nfs/dbraw/zinc/07/81/63/173078163.db2.gz YOYFYYJEYPIBTK-UHFFFAOYSA-N 2 0 239.407 1.546 20 0 BDADRP Cn1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000353515952 173151758 /nfs/dbraw/zinc/15/17/58/173151758.db2.gz IVDPYTGESSGNFD-SOUVJXGZSA-N 2 0 247.386 1.988 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CCN2CCC2)[C@@H]2CCC[C@@H]21 ZINC000353640280 173152333 /nfs/dbraw/zinc/15/23/33/173152333.db2.gz BYDQQCAFTLHADS-IHRRRGAJSA-N 2 0 237.391 1.155 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CC2CC2)[C@@H]2CCC[C@@H]21 ZINC000367639969 173153506 /nfs/dbraw/zinc/15/35/06/173153506.db2.gz YFPQLUIAEHNQTI-AVGNSLFASA-N 2 0 208.349 1.859 20 0 BDADRP Cn1cncc1C[NH2+][C@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000377796825 173155214 /nfs/dbraw/zinc/15/52/14/173155214.db2.gz VHXVJUVSOPUCBN-RDBSUJKOSA-N 2 0 248.374 1.383 20 0 BDADRP C[N@H+]1C[C@@H]2C[NH+](CCCCCF)C[C@@H]2C1 ZINC000375335247 173197080 /nfs/dbraw/zinc/19/70/80/173197080.db2.gz DVZPQQNOAQLKKJ-TXEJJXNPSA-N 2 0 214.328 1.620 20 0 BDADRP CNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000052019469 173209343 /nfs/dbraw/zinc/20/93/43/173209343.db2.gz TUUDSNWKZVCHCL-UHFFFAOYSA-N 2 0 246.358 1.395 20 0 BDADRP C[NH2+]CCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000043605821 173340867 /nfs/dbraw/zinc/34/08/67/173340867.db2.gz HVCROAWSZQBLAR-ZDUSSCGKSA-N 2 0 249.358 1.015 20 0 BDADRP C[NH2+]CCC(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000262321735 173341327 /nfs/dbraw/zinc/34/13/27/173341327.db2.gz FHZJMVKVQGFETJ-UHFFFAOYSA-N 2 0 249.358 1.605 20 0 BDADRP C[NH2+]CCCC(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000037611408 173345553 /nfs/dbraw/zinc/34/55/53/173345553.db2.gz IVROQHIOCRCHLW-UHFFFAOYSA-N 2 0 249.358 1.686 20 0 BDADRP C[NH2+]CCC[N@H+](C)CCCOc1ccccc1 ZINC000124959711 173346446 /nfs/dbraw/zinc/34/64/46/173346446.db2.gz MWAXVSZQSYIUTF-UHFFFAOYSA-N 2 0 236.359 1.997 20 0 BDADRP C[NH2+]CCC[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000336655717 173347514 /nfs/dbraw/zinc/34/75/14/173347514.db2.gz ABWDZWDVNWRUNF-LLVKDONJSA-N 2 0 212.337 1.097 20 0 BDADRP C[NH2+]CCC[NH2+]Cc1ccc(F)cc1C ZINC000083346353 173348940 /nfs/dbraw/zinc/34/89/40/173348940.db2.gz DPYFLTVONBBRLQ-UHFFFAOYSA-N 2 0 210.296 1.833 20 0 BDADRP C[NH2+]CCN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000237336602 173352995 /nfs/dbraw/zinc/35/29/95/173352995.db2.gz ZUGCUMZBOVETFE-UHFFFAOYSA-N 2 0 249.358 1.040 20 0 BDADRP C[NH2+]CCNc1cc[nH+]c2ccccc12 ZINC000054244728 173356887 /nfs/dbraw/zinc/35/68/87/173356887.db2.gz ZPELGCKCYASDGP-UHFFFAOYSA-N 2 0 201.273 1.866 20 0 BDADRP C[NH2+]C[C@@H]1CCCN1CCOCC(C)C ZINC000234390125 173368934 /nfs/dbraw/zinc/36/89/34/173368934.db2.gz BGXUVQAEMBVYDY-LBPRGKRZSA-N 2 0 214.353 1.343 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](CCc2scnc2C)C1 ZINC000070800129 173370750 /nfs/dbraw/zinc/37/07/50/173370750.db2.gz FZBJZYLPJULFIO-NSHDSACASA-N 2 0 239.388 1.535 20 0 BDADRP C[NH2+]C[C@H]1CCCN1CCCOC(C)C ZINC000309533738 173379679 /nfs/dbraw/zinc/37/96/79/173379679.db2.gz WPNWOWBDZOUISA-GFCCVEGCSA-N 2 0 214.353 1.485 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)C[NH2+]CC2CC2)cc1 ZINC000295145217 173388868 /nfs/dbraw/zinc/38/88/68/173388868.db2.gz CAWWQCLFMVIUPK-UHFFFAOYSA-N 2 0 247.342 1.344 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)[C@@H](C)[NH2+]C2CC2)cc1 ZINC000295238020 173388921 /nfs/dbraw/zinc/38/89/21/173388921.db2.gz OTAUSQMFSWVEHV-SNVBAGLBSA-N 2 0 247.342 1.485 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)[C@@H](C)[C@@H](C)[NH3+])c1 ZINC000296571634 173389684 /nfs/dbraw/zinc/38/96/84/173389684.db2.gz VZRQHVJHLCBFIG-VHSXEESVSA-N 2 0 235.331 1.328 20 0 BDADRP COC1CC([NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000336763120 174019507 /nfs/dbraw/zinc/01/95/07/174019507.db2.gz LYZODQQINQNOAQ-QCXCNERSSA-N 2 0 226.364 1.626 20 0 BDADRP COC1CCC([N@H+](C)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000226438408 174021829 /nfs/dbraw/zinc/02/18/29/174021829.db2.gz IHHUTFQFFXOWLU-IYXRBSQSSA-N 2 0 240.391 1.875 20 0 BDADRP COC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000361259417 174028625 /nfs/dbraw/zinc/02/86/25/174028625.db2.gz ARYOUZITPRBHKJ-UHFFFAOYSA-N 2 0 240.391 1.973 20 0 BDADRP COCC1([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000356363526 174111620 /nfs/dbraw/zinc/11/16/20/174111620.db2.gz QXVNFGQFXADHDQ-STQMWFEESA-N 2 0 238.375 1.772 20 0 BDADRP COCC1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000069631732 174120354 /nfs/dbraw/zinc/12/03/54/174120354.db2.gz DRLNSTGBPWOODT-CYBMUJFWSA-N 2 0 226.364 1.344 20 0 BDADRP COCCCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000308803253 174194379 /nfs/dbraw/zinc/19/43/79/174194379.db2.gz ACJQSOBMDHXOIT-NWDGAFQWSA-N 2 0 212.337 1.097 20 0 BDADRP COCCCC[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000044659202 174195190 /nfs/dbraw/zinc/19/51/90/174195190.db2.gz VICKWRAWTYSDCB-QWRGUYRKSA-N 2 0 200.326 1.082 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)C(C)(C)OC ZINC000340469770 174274593 /nfs/dbraw/zinc/27/45/93/174274593.db2.gz LJLFIIDRJQQZDQ-LBPRGKRZSA-N 2 0 246.395 1.358 20 0 BDADRP COCC[N@H+](C)CCC[NH2+]C[C@H]1C[C@H]1C ZINC000309036356 174276129 /nfs/dbraw/zinc/27/61/29/174276129.db2.gz IJUQWDSEHOUDRV-VXGBXAGGSA-N 2 0 214.353 1.200 20 0 BDADRP COCC[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000308635904 174384259 /nfs/dbraw/zinc/38/42/59/174384259.db2.gz AWUSJGDIAQSSRQ-WDEREUQCSA-N 2 0 202.342 1.519 20 0 BDADRP COc1ccc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000107933283 175102924 /nfs/dbraw/zinc/10/29/24/175102924.db2.gz WYPLPSQCHCNULW-YPMHNXCESA-N 2 0 234.343 1.864 20 0 BDADRP COc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000128849161 175110049 /nfs/dbraw/zinc/11/00/49/175110049.db2.gz OXLVXLFNODZKII-CYBMUJFWSA-N 2 0 234.343 1.927 20 0 BDADRP COc1ccc(OC)c(C[NH2+]CCCC[NH3+])c1 ZINC000037715041 175165842 /nfs/dbraw/zinc/16/58/42/175165842.db2.gz NLVYBKLKKRFTNE-UHFFFAOYSA-N 2 0 238.331 1.532 20 0 BDADRP COc1cccc(C[NH2+]CC2=CC[N@H+](C)CC2)n1 ZINC000276670272 175263320 /nfs/dbraw/zinc/26/33/20/175263320.db2.gz YESJOQAECAKXDK-UHFFFAOYSA-N 2 0 247.342 1.442 20 0 BDADRP COc1cccc(C[NH2+]C[C@@H](C)C[NH+](C)C)c1 ZINC000291703341 175264604 /nfs/dbraw/zinc/26/46/04/175264604.db2.gz KLKSGAZPSPQORC-GFCCVEGCSA-N 2 0 236.359 1.983 20 0 BDADRP COc1cccc(C[NH2+]CCCC[NH3+])c1OC ZINC000037715037 175264767 /nfs/dbraw/zinc/26/47/67/175264767.db2.gz GMCHHRCPWUYABN-UHFFFAOYSA-N 2 0 238.331 1.532 20 0 BDADRP COc1cccc([C@@H](C)[NH2+]C[C@H](C)C[NH3+])c1 ZINC000309396976 175287046 /nfs/dbraw/zinc/28/70/46/175287046.db2.gz UQCKTLZEAJDSHV-GHMZBOCLSA-N 2 0 222.332 1.941 20 0 BDADRP Cc1cccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])n1 ZINC000564823794 322931553 /nfs/dbraw/zinc/93/15/53/322931553.db2.gz COPRTXCZHWMSTJ-KOLCDFICSA-N 2 0 207.321 1.605 20 0 BDADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000310484189 175866890 /nfs/dbraw/zinc/86/68/90/175866890.db2.gz FNNDGLRCYPXTPK-CHWSQXEVSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)[C@H]1CO ZINC000305705900 176098351 /nfs/dbraw/zinc/09/83/51/176098351.db2.gz YEKXBHLNCLOALY-MCIONIFRSA-N 2 0 240.391 1.564 20 0 BDADRP C[C@@H]1CCC[C@H]([NH2+]C[C@](C)(O)C[NH+](C)C)C1 ZINC000125908667 176144661 /nfs/dbraw/zinc/14/46/61/176144661.db2.gz BZXPSSROKQXMKQ-AGIUHOORSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CC1(C)C ZINC000336773083 176269790 /nfs/dbraw/zinc/26/97/90/176269790.db2.gz YQJYYXSRQUDIQT-UTUOFQBUSA-N 2 0 210.365 1.962 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000309775168 176271054 /nfs/dbraw/zinc/27/10/54/176271054.db2.gz LNBQMGYWEPZYHX-MWLCHTKSSA-N 2 0 232.318 1.962 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000358412117 176274392 /nfs/dbraw/zinc/27/43/92/176274392.db2.gz XZKSRGJISUASFM-MQYQWHSLSA-N 2 0 237.391 1.153 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCn1cccn1 ZINC000042539470 176278405 /nfs/dbraw/zinc/27/84/05/176278405.db2.gz VCHCBWVGOFMDHZ-JHJVBQTASA-N 2 0 236.363 1.201 20 0 BDADRP C[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)CC(C)(C)O1 ZINC000045694725 176288652 /nfs/dbraw/zinc/28/86/52/176288652.db2.gz MTMDEOQROOTEKO-GFCCVEGCSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CCCCC[C@H]1[NH3+] ZINC000332253294 176328148 /nfs/dbraw/zinc/32/81/48/176328148.db2.gz MJSCGEDXRYFSNT-FVCCEPFGSA-N 2 0 225.380 1.234 20 0 BDADRP C[C@@H]1COCC[C@H]1[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000305856530 176344271 /nfs/dbraw/zinc/34/42/71/176344271.db2.gz MUNBLICMPSBPOV-HZSPNIEDSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1C[C@@H](C[N@H+](C)C[C@H]2CCCCO2)CC[NH2+]1 ZINC000261542272 176367826 /nfs/dbraw/zinc/36/78/26/176367826.db2.gz OMLAMBOTMLBEOH-HZSPNIEDSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+]C[C@@]2(C)CCCO2)CC[NH2+]1 ZINC000235389896 176370298 /nfs/dbraw/zinc/37/02/98/176370298.db2.gz DQUMXWBIEFFZFU-FRRDWIJNSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2(C)CCOCC2)CC[N@@H+]1C ZINC000222242763 176374615 /nfs/dbraw/zinc/37/46/15/176374615.db2.gz MBPKNPFCLNISKO-OLZOCXBDSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCc2ccncc2)CC[N@@H+]1C ZINC000156642488 176376437 /nfs/dbraw/zinc/37/64/37/176376437.db2.gz QQEQQSXKUOYMDS-OCCSQVGLSA-N 2 0 233.359 1.696 20 0 BDADRP C[C@H](O)CC[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000340285979 176960480 /nfs/dbraw/zinc/96/04/80/176960480.db2.gz DXVRZOGIIVQFTB-ZDUSSCGKSA-N 2 0 242.407 1.811 20 0 BDADRP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000300425423 177118556 /nfs/dbraw/zinc/11/85/56/177118556.db2.gz YHWIVBMEJJKZJO-WDNDVIMCSA-N 2 0 242.407 1.979 20 0 BDADRP C[C@H]1CCC[C@@H]([N@H+](C)CCN2CC[NH2+]CC2)C1 ZINC000042318340 177119999 /nfs/dbraw/zinc/11/99/99/177119999.db2.gz VPTBAQGAJQIDPT-UONOGXRCSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1NCC[NH+]1CCCCC1 ZINC000359724972 177234692 /nfs/dbraw/zinc/23/46/92/177234692.db2.gz YAPSHFDAYZPXIJ-UONOGXRCSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)CCCO1 ZINC000062912486 177259504 /nfs/dbraw/zinc/25/95/04/177259504.db2.gz FQHQKMIMLCIRPO-NWDGAFQWSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@H]1C[N@H+](Cc2cccc3c[nH]nc32)CC[C@@H]1[NH3+] ZINC000336537841 177264783 /nfs/dbraw/zinc/26/47/83/177264783.db2.gz QBRLYTHPSHBMBV-GWCFXTLKSA-N 2 0 244.342 1.732 20 0 BDADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1 ZINC000073655445 177284649 /nfs/dbraw/zinc/28/46/49/177284649.db2.gz CLPZCFXGDJOALG-AAEUAGOBSA-N 2 0 204.317 1.774 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H](C)OC[C@@H]2C)CC[NH2+]1 ZINC000235369521 177302045 /nfs/dbraw/zinc/30/20/45/177302045.db2.gz VZHXFYDLZVSCJQ-YVECIDJPSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@H]1CSC[C@H]1[NH2+]CCC[NH+](C)C ZINC000336643657 177306697 /nfs/dbraw/zinc/30/66/97/177306697.db2.gz JWVJLLLTJUTUSF-VHSXEESVSA-N 2 0 202.367 1.279 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCCC[NH3+])c2nccn21 ZINC000345362101 177330695 /nfs/dbraw/zinc/33/06/95/177330695.db2.gz VDPHDCLJVOLIDB-VHSXEESVSA-N 2 0 208.309 1.217 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C2CCC([NH3+])CC2)c2nccn21 ZINC000329257053 177330740 /nfs/dbraw/zinc/33/07/40/177330740.db2.gz DUPKSXVPPMPCLD-WNYYMSAVSA-N 2 0 234.347 1.748 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1cn[nH]c1 ZINC000353653499 177332409 /nfs/dbraw/zinc/33/24/09/177332409.db2.gz CTMGSVVXPOTIMW-NTZNESFSSA-N 2 0 236.363 1.271 20 0 BDADRP C[C@H]1C[C@@H]1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000339408179 177342891 /nfs/dbraw/zinc/34/28/91/177342891.db2.gz REAJDBFHIFVSJM-NWDGAFQWSA-N 2 0 226.364 1.472 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCn1cccn1 ZINC000042539467 177370681 /nfs/dbraw/zinc/37/06/81/177370681.db2.gz VCHCBWVGOFMDHZ-AGIUHOORSA-N 2 0 236.363 1.201 20 0 BDADRP C[C@@H](C[N@@H+]1CCCO[C@H](C[NH3+])C1)C(C)(C)C ZINC000313339232 487640565 /nfs/dbraw/zinc/64/05/65/487640565.db2.gz BWIOLBFBDXUMMN-NWDGAFQWSA-N 2 0 228.380 1.718 20 0 BDADRP C[C@H](CN[C@H](C)[C@@H]1CCC[NH2+]1)C[NH+]1CCCC1 ZINC000400725155 224857705 /nfs/dbraw/zinc/85/77/05/224857705.db2.gz PEECWFMMPJGNEX-MCIONIFRSA-N 2 0 239.407 1.448 20 0 BDADRP CC(C)(C)C[C@H](CO)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000393518704 487643310 /nfs/dbraw/zinc/64/33/10/487643310.db2.gz MSKMQPKTPYNRPO-GRYCIOLGSA-N 2 0 228.380 1.643 20 0 BDADRP COC[C@@]1(C)CC[N@H+](CCn2ccnc2)C1 ZINC000487047938 225283467 /nfs/dbraw/zinc/28/34/67/225283467.db2.gz RUCGQHNBAXYHFO-LBPRGKRZSA-N 2 0 223.320 1.242 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN2C)CS1 ZINC000226014048 487644104 /nfs/dbraw/zinc/64/41/04/487644104.db2.gz HKANFNBLDFAWTL-VWYCJHECSA-N 2 0 214.378 1.564 20 0 BDADRP COCCC[NH+]1CCC([NH2+]C[C@H]2C[C@H]2C)CC1 ZINC000488440321 225399306 /nfs/dbraw/zinc/39/93/06/225399306.db2.gz PWBRGAXZZHAIGV-CHWSQXEVSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@]1(CO)CCC[C@H]1[NH2+]CCN1CCCCC1 ZINC000493631538 226246874 /nfs/dbraw/zinc/24/68/74/226246874.db2.gz CZJQWVWFRHHXDA-KGLIPLIRSA-N 2 0 240.391 1.613 20 0 BDADRP C[C@H]([NH2+]CCCC(C)(C)CO)[C@@H]1CCC[NH2+]1 ZINC000400345295 226341348 /nfs/dbraw/zinc/34/13/48/226341348.db2.gz GYALOVIKIWUSAX-RYUDHWBXSA-N 2 0 228.380 1.515 20 0 BDADRP C[C@H]([NH2+][C@@H](CO)C1CCCC1)[C@H]1CCC[NH2+]1 ZINC000400421721 226343464 /nfs/dbraw/zinc/34/34/64/226343464.db2.gz XBOHWZAOIBTCFG-UHTWSYAYSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@H]([NH2+]CCCOCC1CC1)[C@H]1CCC[NH2+]1 ZINC000400488980 226344686 /nfs/dbraw/zinc/34/46/86/226344686.db2.gz YLSYYYIJPYFWHN-WCQYABFASA-N 2 0 226.364 1.533 20 0 BDADRP COCC(C)(C)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400495816 226344975 /nfs/dbraw/zinc/34/49/75/226344975.db2.gz HJYAVBGBGCTEGC-GHMZBOCLSA-N 2 0 214.353 1.389 20 0 BDADRP COCC1(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)CCC1 ZINC000400491939 226345092 /nfs/dbraw/zinc/34/50/92/226345092.db2.gz ZNEWWMCLJDQVCZ-NWDGAFQWSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H]([NH2+][C@H]1CCCOCC1)[C@H]1CCC[NH2+]1 ZINC000400504551 226345264 /nfs/dbraw/zinc/34/52/64/226345264.db2.gz JODNVDWHUJXBJY-SDDRHHMPSA-N 2 0 212.337 1.286 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@@]1(C)C[NH3+] ZINC000400603987 226347827 /nfs/dbraw/zinc/34/78/27/226347827.db2.gz GFFZFSKTXCZKSY-JHJVBQTASA-N 2 0 226.364 1.330 20 0 BDADRP CC1(C)C[C@H]1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000232873768 487664852 /nfs/dbraw/zinc/66/48/52/487664852.db2.gz HTXQBTXKHZMOEZ-RYUDHWBXSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCCc1cncn1C ZINC000314401033 487665304 /nfs/dbraw/zinc/66/53/04/487665304.db2.gz TWNBSKUCMBUXCO-NEPJUHHUSA-N 2 0 236.363 1.022 20 0 BDADRP Cn1cncc1CCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000314961870 487669164 /nfs/dbraw/zinc/66/91/64/487669164.db2.gz VMINSILHOCEJIC-OCCSQVGLSA-N 2 0 248.374 1.037 20 0 BDADRP CO[C@@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000228575655 487679797 /nfs/dbraw/zinc/67/97/97/487679797.db2.gz ZBHIFHPBGWIZFP-GARJFASQSA-N 2 0 200.326 1.094 20 0 BDADRP CC(C)N1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000036189990 487684098 /nfs/dbraw/zinc/68/40/98/487684098.db2.gz AANZJZNWPHMHRY-UHFFFAOYSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@@H](c1ccncc1)N1CCCO[C@@H](C[NH3+])C1 ZINC000313349742 487685270 /nfs/dbraw/zinc/68/52/70/487685270.db2.gz IWNHWTCSBALAAY-AAEUAGOBSA-N 2 0 235.331 1.192 20 0 BDADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@H]1CC12CC2 ZINC000527863788 262886042 /nfs/dbraw/zinc/88/60/42/262886042.db2.gz JCQHCWHZGUTTPC-VXGBXAGGSA-N 2 0 238.375 1.221 20 0 BDADRP CCCN1CC[C@H]([NH2+]C[C@H](C)COC)C1 ZINC000328533603 487707336 /nfs/dbraw/zinc/70/73/36/487707336.db2.gz ZCVQBORUDPGVQN-RYUDHWBXSA-N 2 0 214.353 1.343 20 0 BDADRP N[C@H](C[NH2+]CCCCCC[NH3+])CC(F)F ZINC000903932445 584824911 /nfs/dbraw/zinc/82/49/11/584824911.db2.gz RMAMLJNCXOEOCT-VIFPVBQESA-N 2 0 223.311 1.078 20 0 BDADRP CCO[C@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000250534390 487734365 /nfs/dbraw/zinc/73/43/65/487734365.db2.gz SRBCDBYEKNDQBF-KGLIPLIRSA-N 2 0 240.391 1.877 20 0 BDADRP CC(C)OCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250587842 487735415 /nfs/dbraw/zinc/73/54/15/487735415.db2.gz PBVWASQNAFCTCM-UONOGXRCSA-N 2 0 240.391 1.875 20 0 BDADRP COCC[C@H](C)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000251269222 487752179 /nfs/dbraw/zinc/75/21/79/487752179.db2.gz XFOAUPHLXATCJG-BFHYXJOUSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H](C[NH2+]CCCN1CC[NH2+]CC1)C(C)(C)C ZINC000666738491 487756014 /nfs/dbraw/zinc/75/60/14/487756014.db2.gz AQTBKZSFQZYPGX-ZDUSSCGKSA-N 2 0 241.423 1.554 20 0 BDADRP CC[C@H]1C[N@H+](CC2CCOCC2)CC[C@H]1[NH3+] ZINC000251577347 487771208 /nfs/dbraw/zinc/77/12/08/487771208.db2.gz CDUMVBXKIJGCDL-QWHCGFSZSA-N 2 0 226.364 1.472 20 0 BDADRP CO[C@@H](C)[C@H](C)[NH2+]CCCC[NH+]1CCOCC1 ZINC000675750300 487772954 /nfs/dbraw/zinc/77/29/54/487772954.db2.gz BXALISNGYDEPLS-STQMWFEESA-N 2 0 244.379 1.112 20 0 BDADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000234263832 487788288 /nfs/dbraw/zinc/78/82/88/487788288.db2.gz CYSFVLAYDCXEPQ-GFCCVEGCSA-N 2 0 244.379 1.112 20 0 BDADRP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3CCCOC3)CC[C@@H]21 ZINC000675983302 487797718 /nfs/dbraw/zinc/79/77/18/487797718.db2.gz PBERLFULPMERJY-RDBSUJKOSA-N 2 0 238.375 1.582 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ncc[nH]1 ZINC000414189211 487797970 /nfs/dbraw/zinc/79/79/70/487797970.db2.gz QQNIGMCLKKBXQO-NWDGAFQWSA-N 2 0 236.363 1.792 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H]2CCOC2)CC[C@H]1[NH3+] ZINC000251879940 487804980 /nfs/dbraw/zinc/80/49/80/487804980.db2.gz VDFJSUUYPJRFCB-QJPTWQEYSA-N 2 0 212.337 1.082 20 0 BDADRP CO[C@H](C)C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000224011155 487814764 /nfs/dbraw/zinc/81/47/64/487814764.db2.gz IAHRMIUQCXLUEJ-UPJWGTAASA-N 2 0 228.380 1.922 20 0 BDADRP [NH3+]CCC[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000414711132 487819512 /nfs/dbraw/zinc/81/95/12/487819512.db2.gz MAPFHOGOAIQGNC-CYBMUJFWSA-N 2 0 234.343 1.736 20 0 BDADRP CC(C)(C)[C@H]1CC[N@H+](CCC[NH3+])C[C@@H]1O ZINC000414755682 487821306 /nfs/dbraw/zinc/82/13/06/487821306.db2.gz ICYJUMAPIBTHMK-QWRGUYRKSA-N 2 0 214.353 1.064 20 0 BDADRP C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CCC[NH3+] ZINC000414765701 487824002 /nfs/dbraw/zinc/82/40/02/487824002.db2.gz QEFKUFXDJWTPGN-SFYZADRCSA-N 2 0 210.243 1.608 20 0 BDADRP CCOc1cccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000414924717 487829056 /nfs/dbraw/zinc/82/90/56/487829056.db2.gz KIHBWJRALOPHRD-RYUDHWBXSA-N 2 0 249.358 1.840 20 0 BDADRP Cc1ccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cn1 ZINC000415012666 487833977 /nfs/dbraw/zinc/83/39/77/487833977.db2.gz TYKYWEKFAPSZPR-LSDHHAIUSA-N 2 0 245.370 1.868 20 0 BDADRP C[C@H](C[NH2+]CCC[NH3+])Cc1cccs1 ZINC000415087459 487836382 /nfs/dbraw/zinc/83/63/82/487836382.db2.gz UQGTZKWBXCNRAG-JTQLQIEISA-N 2 0 212.362 1.865 20 0 BDADRP COCCCCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000234630967 487845505 /nfs/dbraw/zinc/84/55/05/487845505.db2.gz JFWGBVVRZHNWDU-RYUDHWBXSA-N 2 0 214.353 1.663 20 0 BDADRP C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CCC[NH3+] ZINC000666654513 487851832 /nfs/dbraw/zinc/85/18/32/487851832.db2.gz LVDCRDHVOGZZBC-BDAKNGLRSA-N 2 0 224.270 1.998 20 0 BDADRP c1ccc2c(c1)C[N@H+](CC[C@@H]1CC[NH2+]C1)CCO2 ZINC000089749479 487852470 /nfs/dbraw/zinc/85/24/70/487852470.db2.gz VRZGBQKIEKFLJZ-ZDUSSCGKSA-N 2 0 246.354 1.881 20 0 BDADRP C(C[N@@H+]1CC[C@@H](N2CCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000089749466 487852519 /nfs/dbraw/zinc/85/25/19/487852519.db2.gz GDFVPWRMLFEQFA-UONOGXRCSA-N 2 0 237.391 1.156 20 0 BDADRP COCCC(C)(C)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000234691781 487856040 /nfs/dbraw/zinc/85/60/40/487856040.db2.gz DQKWXTDPTDQLAK-RYUDHWBXSA-N 2 0 228.380 1.909 20 0 BDADRP c1nc2ccccn2c1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000666787288 487859465 /nfs/dbraw/zinc/85/94/65/487859465.db2.gz BAXFGNSKYOCMIK-LBPRGKRZSA-N 2 0 244.342 1.424 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CCC1CC1 ZINC000234715008 487866453 /nfs/dbraw/zinc/86/64/53/487866453.db2.gz GARPVDFDDDUVJV-LLVKDONJSA-N 2 0 200.326 1.130 20 0 BDADRP [NH3+][C@@H](C[NH2+]C[C@H]1CCOc2ccccc21)C1CC1 ZINC000666834211 487870745 /nfs/dbraw/zinc/87/07/45/487870745.db2.gz CBKJBQOCVAKMFF-OCCSQVGLSA-N 2 0 246.354 1.880 20 0 BDADRP C[NH2+]CCC[NH2+]Cc1cccc2cnccc21 ZINC000666807462 487884521 /nfs/dbraw/zinc/88/45/21/487884521.db2.gz MDHQONOUTOUQRQ-UHFFFAOYSA-N 2 0 229.327 1.934 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000652335370 487923536 /nfs/dbraw/zinc/92/35/36/487923536.db2.gz CHCRBHOANSIDNQ-CYBMUJFWSA-N 3 0 245.370 1.113 20 0 BDADRP CC(C)(C)[NH2+]CCN[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666993810 487923891 /nfs/dbraw/zinc/92/38/91/487923891.db2.gz LIBXUNIMITUMTK-GFCCVEGCSA-N 2 0 239.407 1.639 20 0 BDADRP C[N@H+](CC[C@H]1CC[NH2+]C1)CCN1CCCCC1 ZINC000652363556 487932971 /nfs/dbraw/zinc/93/29/71/487932971.db2.gz HRTWHSLEFLLWTE-CQSZACIVSA-N 2 0 239.407 1.404 20 0 BDADRP C[NH2+]CCC[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000652364306 487933875 /nfs/dbraw/zinc/93/38/75/487933875.db2.gz GAXCDXHMWLALPS-VIFPVBQESA-N 2 0 204.264 1.327 20 0 BDADRP FC1(F)C[C@@]12CC[N@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000652364399 487934048 /nfs/dbraw/zinc/93/40/48/487934048.db2.gz MUIURQIFUCKPNC-GHMZBOCLSA-N 2 0 230.302 1.717 20 0 BDADRP C[C@@H]1C[C@@H](NC[C@@H]2CCCC[NH2+]2)CC[N@@H+]1C ZINC000235413520 487953550 /nfs/dbraw/zinc/95/35/50/487953550.db2.gz JQVNWBDCISTCRL-AGIUHOORSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H](C[NH2+][C@H]1CCC12CCOCC2)C[NH+](C)C ZINC000562342277 323017170 /nfs/dbraw/zinc/01/71/70/323017170.db2.gz PJONDIUBSGNWCP-STQMWFEESA-N 2 0 240.391 1.733 20 0 BDADRP CCC(C)(C)[C@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000562564982 323024713 /nfs/dbraw/zinc/02/47/13/323024713.db2.gz CWENJGGDRZJINT-LBPRGKRZSA-N 2 0 242.407 1.857 20 0 BDADRP CC(C)[C@@H]1CCC[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000562603554 323025422 /nfs/dbraw/zinc/02/54/22/323025422.db2.gz PZSCEOBCHHVPFS-KBPBESRZSA-N 2 0 242.407 1.979 20 0 BDADRP C[C@H]1C[C@H](NCc2ccccc2CO)CC[N@@H+]1C ZINC000151774739 323026892 /nfs/dbraw/zinc/02/68/92/323026892.db2.gz QUPNLMQCCJDXSY-SWLSCSKDSA-N 2 0 248.370 1.751 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1CO ZINC000151790384 323027942 /nfs/dbraw/zinc/02/79/42/323027942.db2.gz HXUSPCWQAHRVJE-DOMZBBRYSA-N 2 0 248.370 1.609 20 0 BDADRP COC(=O)CCC1CC[NH+](CCC[NH3+])CC1 ZINC000562746581 323029568 /nfs/dbraw/zinc/02/95/68/323029568.db2.gz KAAMIJPLUVMVNF-UHFFFAOYSA-N 2 0 228.336 1.000 20 0 BDADRP C[C@@H](CCCC[NH3+])NC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000562809780 323031267 /nfs/dbraw/zinc/03/12/67/323031267.db2.gz KEIITDWKEHSWQE-RYUDHWBXSA-N 2 0 241.379 1.152 20 0 BDADRP CC(C)[NH2+]CCCN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000562956369 323034801 /nfs/dbraw/zinc/03/48/01/323034801.db2.gz QJUGGMPTYPMHAM-CHWSQXEVSA-N 2 0 227.396 1.482 20 0 BDADRP COC[C@@H](C)C[NH2+]CCCC[NH+](C)C ZINC000163329998 323035970 /nfs/dbraw/zinc/03/59/70/323035970.db2.gz CKHXSVAPQYVYSW-NSHDSACASA-N 2 0 202.342 1.200 20 0 BDADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)CCCC[NH3+] ZINC000569690367 323037120 /nfs/dbraw/zinc/03/71/20/323037120.db2.gz RSOAOHRRMFCSGH-LBPRGKRZSA-N 2 0 241.379 1.106 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CC2(CF)CCOCC2)C1 ZINC000569708979 323038049 /nfs/dbraw/zinc/03/80/49/323038049.db2.gz WZJKCDCLEVFDKS-RYUDHWBXSA-N 2 0 244.354 1.612 20 0 BDADRP CC(C)[NH2+]CCCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000569918899 323044227 /nfs/dbraw/zinc/04/42/27/323044227.db2.gz VOSIGWKREYTUMV-BFHYXJOUSA-N 2 0 241.423 1.693 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC1(O)Cc2ccccc2C1 ZINC000569957566 323045724 /nfs/dbraw/zinc/04/57/24/323045724.db2.gz KENNNDYZXWUTMO-VXGBXAGGSA-N 2 0 248.370 1.232 20 0 BDADRP C[NH2+]CCCC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000569967039 323046011 /nfs/dbraw/zinc/04/60/11/323046011.db2.gz CKOXIIXXHSPLJJ-LLVKDONJSA-N 2 0 249.358 1.322 20 0 BDADRP CO[C@H]1C[C@@H]([NH2+]CC2CC[NH2+]CC2)C12CCC2 ZINC000570507860 323061708 /nfs/dbraw/zinc/06/17/08/323061708.db2.gz HYUQELPMLQEWGN-OLZOCXBDSA-N 2 0 238.375 1.533 20 0 BDADRP Cc1noc(CCC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000570528783 323062476 /nfs/dbraw/zinc/06/24/76/323062476.db2.gz DLYMWFVVKFKEBR-WDEREUQCSA-N 2 0 238.335 1.170 20 0 BDADRP Cc1cc(C[C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)[nH]n1 ZINC000570739981 323069070 /nfs/dbraw/zinc/06/90/70/323069070.db2.gz XIIGTSLJJOXZOQ-WCQGTBRESA-N 2 0 236.363 1.509 20 0 BDADRP CC(C)(O)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000160596556 323073369 /nfs/dbraw/zinc/07/33/69/323073369.db2.gz GALHXKXWFKMUCM-UHFFFAOYSA-N 2 0 226.364 1.221 20 0 BDADRP CCN(C)CC[NH2+][C@@H](C)CC(=O)N(CC)CC ZINC000158812621 323073867 /nfs/dbraw/zinc/07/38/67/323073867.db2.gz GVBWELUZCJPLNS-LBPRGKRZSA-N 2 0 243.395 1.175 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)[C@@H](O)C(F)F ZINC000570942077 323076149 /nfs/dbraw/zinc/07/61/49/323076149.db2.gz NZWVCUSIAPWRCW-QCLAVDOMSA-N 2 0 236.306 1.251 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000563069014 323084494 /nfs/dbraw/zinc/08/44/94/323084494.db2.gz BVPULASDQNMABF-MCIONIFRSA-N 2 0 238.375 1.582 20 0 BDADRP C[C@@H]1[NH2+]CC[C@@H]1c1nc(C2([NH3+])CCCC2)no1 ZINC000563120911 323093457 /nfs/dbraw/zinc/09/34/57/323093457.db2.gz MWTHTTTURCJXFO-IUCAKERBSA-N 2 0 236.319 1.263 20 0 BDADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)CC ZINC000122792693 323101110 /nfs/dbraw/zinc/10/11/10/323101110.db2.gz UIQYAVRKGYHJSF-NEPJUHHUSA-N 2 0 216.369 1.731 20 0 BDADRP C[C@@H]1CC[N@H+](CCN[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000531727698 323111573 /nfs/dbraw/zinc/11/15/73/323111573.db2.gz GQAISRONKMGPFK-HZSPNIEDSA-N 2 0 239.407 1.401 20 0 BDADRP [NH3+]CC12CCC(CC1)CN2CC1CC[NH2+]CC1 ZINC000563421026 323124086 /nfs/dbraw/zinc/12/40/86/323124086.db2.gz DXDIVJSQLQPSKY-UHFFFAOYSA-N 2 0 237.391 1.189 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H](CO)c2ccsc2)C1 ZINC000563423738 323124321 /nfs/dbraw/zinc/12/43/21/323124321.db2.gz IVBSAVIEKYECEP-IJLUTSLNSA-N 2 0 240.372 1.641 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000395140097 323188688 /nfs/dbraw/zinc/18/86/88/323188688.db2.gz GSXBLUAZKJHEMO-XQQFMLRXSA-N 2 0 228.380 1.515 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CC12CC(C1)CO2 ZINC000530220298 323217825 /nfs/dbraw/zinc/21/78/25/323217825.db2.gz MUUGOQUBTGYSDG-CMOBGSAGSA-N 2 0 224.348 1.415 20 0 BDADRP C[C@H]([NH2+]CC1(C)COC1)[C@@H]1CCCC[NH2+]1 ZINC000395239141 323222691 /nfs/dbraw/zinc/22/26/91/323222691.db2.gz QCJCGVABAUUNQB-QWRGUYRKSA-N 2 0 212.337 1.143 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CCC2(CO)CC2)c2ccccc21 ZINC000395927034 323268386 /nfs/dbraw/zinc/26/83/86/323268386.db2.gz KIFMZXNJUDZACS-KGLIPLIRSA-N 2 0 246.354 1.883 20 0 BDADRP C[C@H](NCC1=CC[N@H+](C)CC1)[C@H]1CCCC[NH2+]1 ZINC000392272982 323376914 /nfs/dbraw/zinc/37/69/14/323376914.db2.gz FBXCSYIPIUSSIP-GXTWGEPZSA-N 2 0 237.391 1.369 20 0 BDADRP CC(C)[NH2+]CC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000572058666 323529642 /nfs/dbraw/zinc/52/96/42/323529642.db2.gz CZOGUMCXTNSUEX-UHFFFAOYSA-N 2 0 247.342 1.269 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@H](C)CCO)CC1 ZINC000122919848 324063840 /nfs/dbraw/zinc/06/38/40/324063840.db2.gz YVPNSVDBXDCCSO-LLVKDONJSA-N 2 0 214.353 1.220 20 0 BDADRP CC[C@@H](NC(=O)Cn1cncc1C)c1ncc[nH]1 ZINC000529050737 324238215 /nfs/dbraw/zinc/23/82/15/324238215.db2.gz IDWFVHOAXFIRIN-SNVBAGLBSA-N 2 0 247.302 1.182 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000126210221 324687591 /nfs/dbraw/zinc/68/75/91/324687591.db2.gz VHYRCDYYMDUVDO-AAEUAGOBSA-N 2 0 226.364 1.343 20 0 BDADRP C[C@@H](C[NH+](C)C)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000130157918 325018576 /nfs/dbraw/zinc/01/85/76/325018576.db2.gz MTROGMRTUGCPBV-SRVKXCTJSA-N 2 0 213.369 1.009 20 0 BDADRP C[C@@H](C[NH+](C)C)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000130157496 325018785 /nfs/dbraw/zinc/01/87/85/325018785.db2.gz MTROGMRTUGCPBV-SDDRHHMPSA-N 2 0 213.369 1.009 20 0 BDADRP CCOCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000130256413 325030855 /nfs/dbraw/zinc/03/08/55/325030855.db2.gz DDNDQPWXNGZRSK-MNOVXSKESA-N 2 0 200.326 1.095 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000543088032 325071154 /nfs/dbraw/zinc/07/11/54/325071154.db2.gz YURSLRVHGJWGGF-RYUDHWBXSA-N 2 0 240.391 1.610 20 0 BDADRP COCC[C@@H](C)[NH2+]C[C@H](C)N(C)C1CC1 ZINC000131116031 325118538 /nfs/dbraw/zinc/11/85/38/325118538.db2.gz WQWUZBZPUWSCJT-MNOVXSKESA-N 2 0 214.353 1.484 20 0 BDADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCCO)C1 ZINC000076003636 325325226 /nfs/dbraw/zinc/32/52/26/325325226.db2.gz FMLVVPCEDBHRAH-GFCCVEGCSA-N 2 0 214.353 1.033 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C=C[C@H](CO)C2)[C@H](C)C1 ZINC000134645600 325369787 /nfs/dbraw/zinc/36/97/87/325369787.db2.gz SUIYHDNQDAJEAX-RQJABVFESA-N 2 0 238.375 1.243 20 0 BDADRP C[C@@H]([NH2+]CC1([NH3+])CCCC1)[C@H]1CCOC1 ZINC000158625418 487969093 /nfs/dbraw/zinc/96/90/93/487969093.db2.gz PZPGLRAVRJWYJV-MNOVXSKESA-N 2 0 212.337 1.273 20 0 BDADRP CC[C@H](C)CN(CC[NH+](C)C)CC[NH+](C)C ZINC000554875871 325739047 /nfs/dbraw/zinc/73/90/47/325739047.db2.gz VPLOFSUSDYDLBR-ZDUSSCGKSA-N 2 0 229.412 1.458 20 0 BDADRP C[C@@](C[NH3+])(NC(=O)c1ccc(C[NH3+])cc1)C1CC1 ZINC000564991387 325841803 /nfs/dbraw/zinc/84/18/03/325841803.db2.gz NJNQBQJZRAOVNM-AWEZNQCLSA-N 2 0 247.342 1.003 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC000565775677 325956074 /nfs/dbraw/zinc/95/60/74/325956074.db2.gz NLOPNELJRSGHIW-QWQWKMKNSA-N 2 0 244.354 1.609 20 0 BDADRP C[NH2+]CCCNC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000566202638 326012071 /nfs/dbraw/zinc/01/20/71/326012071.db2.gz XXAVZCYQFDQWKH-SNVBAGLBSA-N 2 0 235.331 1.046 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)CCC1CC[NH2+]CC1 ZINC000566256600 326025320 /nfs/dbraw/zinc/02/53/20/326025320.db2.gz FNVMYCFDZVVYKW-QWRGUYRKSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1cc[nH]c(=O)c1 ZINC000566688455 326074559 /nfs/dbraw/zinc/07/45/59/326074559.db2.gz ABFXRLVHTFSXAL-MVWJERBFSA-N 2 0 235.331 1.708 20 0 BDADRP CC[C@@H](C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154405117 326143092 /nfs/dbraw/zinc/14/30/92/326143092.db2.gz NZSZYZHBTFLSTG-CYBMUJFWSA-N 2 0 227.396 1.402 20 0 BDADRP CC[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC000154547693 326150001 /nfs/dbraw/zinc/15/00/01/326150001.db2.gz JOZOLLDQHBAEDZ-RDBSUJKOSA-N 2 0 239.407 1.401 20 0 BDADRP CC(C)C[C@H](C[NH3+])N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000567521196 326209676 /nfs/dbraw/zinc/20/96/76/326209676.db2.gz UBENKYKCAFXSHO-IJLUTSLNSA-N 2 0 213.369 1.219 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000567641284 326236814 /nfs/dbraw/zinc/23/68/14/326236814.db2.gz RIRZAORJYDUQFB-VXGBXAGGSA-N 3 0 227.396 1.434 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H](C)C[C@H](C)[NH3+])CC1 ZINC000567641282 326236919 /nfs/dbraw/zinc/23/69/19/326236919.db2.gz RIRZAORJYDUQFB-NWDGAFQWSA-N 3 0 227.396 1.434 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc2c(c1)nnn2C ZINC000567871003 326274060 /nfs/dbraw/zinc/27/40/60/326274060.db2.gz FIBOMCBJKVPORA-VHSXEESVSA-N 2 0 247.346 1.184 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc2c(c1)nnn2C ZINC000567871004 326274158 /nfs/dbraw/zinc/27/41/58/326274158.db2.gz FIBOMCBJKVPORA-ZJUUUORDSA-N 2 0 247.346 1.184 20 0 BDADRP CCc1cnc(C[NH+]2CCC3(CC[NH2+]C3)CC2)o1 ZINC000567990613 326292642 /nfs/dbraw/zinc/29/26/42/326292642.db2.gz NKJJKMACUNDBNR-UHFFFAOYSA-N 2 0 249.358 1.813 20 0 BDADRP CCC[C@H](C)[C@H]1CCC[N@@H+]1CCOCC[NH3+] ZINC000568051608 326300537 /nfs/dbraw/zinc/30/05/37/326300537.db2.gz UEIUOIBCSCTIFQ-QWHCGFSZSA-N 2 0 228.380 1.862 20 0 BDADRP CC[C@H](C)C[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000568175094 326320088 /nfs/dbraw/zinc/32/00/88/326320088.db2.gz RHWKLOFPXBOTSQ-ZDUSSCGKSA-N 2 0 242.407 1.857 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CCc1ccc(C)o1 ZINC000568740835 326374136 /nfs/dbraw/zinc/37/41/36/326374136.db2.gz XGZUPVSGKJQLNH-LBPRGKRZSA-N 2 0 240.347 1.474 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CCC[C@@H](C[NH3+])C1 ZINC000568865382 326379989 /nfs/dbraw/zinc/37/99/89/326379989.db2.gz IERWGYYNCZWQEZ-NWDGAFQWSA-N 2 0 213.369 1.031 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000569104363 326390129 /nfs/dbraw/zinc/39/01/29/326390129.db2.gz GVOQFDNJUBYAEB-ZDUSSCGKSA-N 2 0 235.331 1.194 20 0 BDADRP Cc1ccc(CC[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)cn1 ZINC000569228143 326396142 /nfs/dbraw/zinc/39/61/42/326396142.db2.gz IGGLIGICCVQAIJ-SWLSCSKDSA-N 2 0 247.386 1.910 20 0 BDADRP C[NH2+][C@@H](C)Cc1noc([C@H]2CCCCC[NH2+]2)n1 ZINC000572640635 326402346 /nfs/dbraw/zinc/40/23/46/326402346.db2.gz BSWNYJLKNSQDDV-VHSXEESVSA-N 2 0 238.335 1.425 20 0 BDADRP CC1(F)CC([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000572855789 326415279 /nfs/dbraw/zinc/41/52/79/326415279.db2.gz MIJUYPQHFHOVFS-NKVNRFPTSA-N 2 0 200.301 1.737 20 0 BDADRP C[NH2+]CCCC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000573247039 326437665 /nfs/dbraw/zinc/43/76/65/326437665.db2.gz UEWGGGAZTBRUKT-UHFFFAOYSA-N 2 0 233.315 1.228 20 0 BDADRP [NH3+][C@H](C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000446398479 487980335 /nfs/dbraw/zinc/98/03/35/487980335.db2.gz YKBHLYPKZROHOY-UPJWGTAASA-N 2 0 247.342 1.073 20 0 BDADRP CCC[C@H]([NH3+])c1cn(CC[NH+]2CCCC2)nn1 ZINC000229954904 488010243 /nfs/dbraw/zinc/01/02/43/488010243.db2.gz SERSEIJLUBHFBZ-NSHDSACASA-N 2 0 237.351 1.174 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401068002 488025253 /nfs/dbraw/zinc/02/52/53/488025253.db2.gz MDYQOSWEGOJVCF-PJSNJIKXSA-N 2 0 226.364 1.124 20 0 BDADRP CC[C@@H]1C[N@H+](Cc2cnccc2C)CC[C@@H]1[NH3+] ZINC000135502236 488039176 /nfs/dbraw/zinc/03/91/76/488039176.db2.gz KMTSZHUHSKIESE-OCCSQVGLSA-N 2 0 233.359 1.949 20 0 BDADRP C(N1CCCC[C@H]1[C@@H]1CCC[NH2+]1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663493632 488043249 /nfs/dbraw/zinc/04/32/49/488043249.db2.gz CBQBMDBBQVNZBY-QPSCCSFWSA-N 2 0 249.402 1.202 20 0 BDADRP CO[C@H](C)C[N@H+](C[C@H]1CC[NH2+]C1)C(C)C ZINC000390818950 488045428 /nfs/dbraw/zinc/04/54/28/488045428.db2.gz RZJKQILOYBMZDU-NEPJUHHUSA-N 2 0 214.353 1.341 20 0 BDADRP CCOC1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000084385056 488049718 /nfs/dbraw/zinc/04/97/18/488049718.db2.gz HZTKXQLDSLDWNW-LBPRGKRZSA-N 2 0 226.364 1.487 20 0 BDADRP CN1CC[N@H+](CC[C@@H]2CC[NH2+]C2)CC1(C)C ZINC000084385907 488049995 /nfs/dbraw/zinc/04/99/95/488049995.db2.gz NLIGNYFBMVRXKK-LBPRGKRZSA-N 2 0 225.380 1.012 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@H]2CCCO2)[C@@H](C)C1 ZINC000675743546 488101074 /nfs/dbraw/zinc/10/10/74/488101074.db2.gz ZUZOTNRZXKBLBP-MJBXVCDLSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]1CC[NH2+][C@@H](C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000669508369 488108872 /nfs/dbraw/zinc/10/88/72/488108872.db2.gz OVRVEYPHFBOUOE-GXFFZTMASA-N 2 0 247.342 1.472 20 0 BDADRP [NH3+]Cc1cccc(NC(=O)C[NH2+]CC2CC2)c1 ZINC000669508316 488109020 /nfs/dbraw/zinc/10/90/20/488109020.db2.gz FEJKFMYMTZDMBL-UHFFFAOYSA-N 2 0 233.315 1.083 20 0 BDADRP Cc1nccn1CCC[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000667794323 488121795 /nfs/dbraw/zinc/12/17/95/488121795.db2.gz DYYYGYRHUDHKIW-KBPBESRZSA-N 2 0 249.358 1.739 20 0 BDADRP COC[C@H](C)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662292306 487541573 /nfs/dbraw/zinc/54/15/73/487541573.db2.gz DHMQIFVNMNGZED-GXTWGEPZSA-N 2 0 240.391 1.733 20 0 BDADRP CN(C)c1cc[nH+]c(NC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC000680258399 487554301 /nfs/dbraw/zinc/55/43/01/487554301.db2.gz RJVMDQLENACGKQ-JTQLQIEISA-N 2 0 248.330 1.038 20 0 BDADRP Cc1nocc1C[NH+]1CCC(C[NH3+])CC1 ZINC000662236254 487471032 /nfs/dbraw/zinc/47/10/32/487471032.db2.gz WOBUYILUQSHSAB-UHFFFAOYSA-N 2 0 209.293 1.154 20 0 BDADRP CCN(C)C[C@H](O)C[N@@H+]1C[C@H](C)[C@H](C)[C@H]1C ZINC000399710075 487496249 /nfs/dbraw/zinc/49/62/49/487496249.db2.gz YIHFSEHRVWDOMB-RVMXOQNASA-N 2 0 228.380 1.275 20 0 BDADRP COC[C@H](C)[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000086500525 487514724 /nfs/dbraw/zinc/51/47/24/487514724.db2.gz HHTNNGLKCPWQDP-RWMBFGLXSA-N 2 0 228.380 1.922 20 0 BDADRP COCCCCC[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000404902263 487519055 /nfs/dbraw/zinc/51/90/55/487519055.db2.gz QIPUEUCSTUOXSU-WDEREUQCSA-N 2 0 214.353 1.519 20 0 BDADRP CC[C@@H]1CN(CCO[C@H]2CC2(F)F)CC[C@H]1[NH3+] ZINC000662273647 487521710 /nfs/dbraw/zinc/52/17/10/487521710.db2.gz XHSDJOFSGRZNER-MXWKQRLJSA-N 2 0 248.317 1.470 20 0 BDADRP Cc1nc(CN2C[C@@H](C[NH3+])C[C@@H]2C)co1 ZINC000381869448 487525320 /nfs/dbraw/zinc/52/53/20/487525320.db2.gz KHWWZLVHKJSOIB-WCBMZHEXSA-N 2 0 209.293 1.152 20 0 BDADRP Cc1nnsc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000390373264 488153777 /nfs/dbraw/zinc/15/37/77/488153777.db2.gz WNFJAMJYFMWIPD-UHFFFAOYSA-N 2 0 240.376 1.407 20 0 BDADRP [NH3+][C@@H](CCC(=O)N1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000237920835 487533876 /nfs/dbraw/zinc/53/38/76/487533876.db2.gz KPWFQDSCGADSET-STQMWFEESA-N 2 0 247.342 1.026 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)C1CCC1 ZINC000662273552 490045115 /nfs/dbraw/zinc/04/51/15/490045115.db2.gz OELRZWOYUVFJQP-MGPQQGTHSA-N 2 0 238.375 1.485 20 0 BDADRP COCCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252418985 487824194 /nfs/dbraw/zinc/82/41/94/487824194.db2.gz XPNLBAOBDMKBDB-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]Cc1nc2c(s1)CCC2 ZINC000666941488 487908617 /nfs/dbraw/zinc/90/86/17/487908617.db2.gz JMMOWVQRORZIME-VIFPVBQESA-N 2 0 239.388 1.849 20 0 BDADRP CC[C@@H]1C[C@H](C)C[N@@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000310489540 488032690 /nfs/dbraw/zinc/03/26/90/488032690.db2.gz FPGXFQRPQBHHPO-BFHYXJOUSA-N 2 0 242.407 1.808 20 0 BDADRP Cc1ncc(CN2CCO[C@@H](C)[C@H]2C)n1C ZINC000667640649 488064726 /nfs/dbraw/zinc/06/47/26/488064726.db2.gz ZOOBOPIFBCQHAL-ZJUUUORDSA-N 2 0 223.320 1.338 20 0 BDADRP C[N@H+](Cc1ccccc1)CC(C)(C)NCCC[NH3+] ZINC000379657584 488145932 /nfs/dbraw/zinc/14/59/32/488145932.db2.gz TWACWTUNXGYZFR-UHFFFAOYSA-N 2 0 249.402 1.835 20 0 BDADRP Cc1nnsc1CN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000379772654 488151786 /nfs/dbraw/zinc/15/17/86/488151786.db2.gz BBADSADSTGUWAJ-VXNVDRBHSA-N 2 0 226.349 1.016 20 0 BDADRP CC[C@@H]1CC[C@H](C)[N@@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000379920921 488158424 /nfs/dbraw/zinc/15/84/24/488158424.db2.gz QNWCNNYQSVTZPF-BFHYXJOUSA-N 2 0 242.407 1.950 20 0 BDADRP C[N@H+]1CC=C(C[NH2+][C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667924285 488159417 /nfs/dbraw/zinc/15/94/17/488159417.db2.gz LAFYIWPMNOMJKP-KGLIPLIRSA-N 2 0 236.359 1.405 20 0 BDADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667924284 488159483 /nfs/dbraw/zinc/15/94/83/488159483.db2.gz LAFYIWPMNOMJKP-KBPBESRZSA-N 2 0 236.359 1.405 20 0 BDADRP C[C@H](O)CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401060085 488181886 /nfs/dbraw/zinc/18/18/86/488181886.db2.gz JGASFFCFGFAGIA-QNWHQSFQSA-N 2 0 226.364 1.125 20 0 BDADRP CO[C@@H](C)C[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000223956922 488190758 /nfs/dbraw/zinc/19/07/58/488190758.db2.gz OFEHAONFOBGZBJ-OUAUKWLOSA-N 2 0 212.337 1.236 20 0 BDADRP C[C@@]1(CO)CCC[N@@H+]1Cc1cnc2n1CCC2 ZINC000668031542 488191292 /nfs/dbraw/zinc/19/12/92/488191292.db2.gz ZRWJTMYMCNUTDP-ZDUSSCGKSA-N 2 0 235.331 1.176 20 0 BDADRP CC[N@H+](CCO)Cc1ccc(C[NH+](C)C)cc1 ZINC000678121145 488200269 /nfs/dbraw/zinc/20/02/69/488200269.db2.gz RWYSWYRLSSZPHR-UHFFFAOYSA-N 2 0 236.359 1.562 20 0 BDADRP [NH3+][C@@H]1C[C@@H](N[C@H]2CC[NH2+]C2)c2ccccc21 ZINC000333344638 488210887 /nfs/dbraw/zinc/21/08/87/488210887.db2.gz YXWXOGOOMSBLPT-ZWKOPEQDSA-N 2 0 217.316 1.083 20 0 BDADRP CC(C)N(C)CC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000054111148 488210997 /nfs/dbraw/zinc/21/09/97/488210997.db2.gz FGSSUGJQXVKDFZ-CYBMUJFWSA-N 2 0 241.423 1.647 20 0 BDADRP O[C@@H]1CCC[N@H+](Cc2cnc3n2CCC3)CC1 ZINC000668198439 488222111 /nfs/dbraw/zinc/22/21/11/488222111.db2.gz QNCJFKCAWQZFHP-GFCCVEGCSA-N 2 0 235.331 1.176 20 0 BDADRP COC[C@@H]1CCC[N@@H+]1CCCn1ccnc1 ZINC000678884335 488293072 /nfs/dbraw/zinc/29/30/72/488293072.db2.gz GBOKXRMQQAEFRG-LBPRGKRZSA-N 2 0 223.320 1.384 20 0 BDADRP Cc1c[nH+]ccc1N1CC[NH+](C(C)(C)CO)CC1 ZINC000684577422 488328883 /nfs/dbraw/zinc/32/88/83/488328883.db2.gz VEAVPWRUKFJVBE-UHFFFAOYSA-N 2 0 249.358 1.283 20 0 BDADRP Cc1cnn(CC[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000335011261 490102935 /nfs/dbraw/zinc/10/29/35/490102935.db2.gz WNDLAVSWGZGYPZ-CQSZACIVSA-N 2 0 248.374 1.267 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCOC2)C1 ZINC000070013447 490197639 /nfs/dbraw/zinc/19/76/39/490197639.db2.gz UMBLDQGRHRINAJ-NWDGAFQWSA-N 2 0 212.337 1.097 20 0 BDADRP CCc1nn(C)cc1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252772140 490267874 /nfs/dbraw/zinc/26/78/74/490267874.db2.gz LZTDHYPPNCAICU-GHMZBOCLSA-N 2 0 236.363 1.152 20 0 BDADRP C[N@H+](CCCc1ccccc1)C[C@@H]1CNCCO1 ZINC000125433771 490432469 /nfs/dbraw/zinc/43/24/69/490432469.db2.gz XZOPPXIPFHKJLS-HNNXBMFYSA-N 2 0 248.370 1.539 20 0 BDADRP c1cc(C[NH+]2CCCC2)c2c(c1)C[NH2+]CC2 ZINC000125646251 490440013 /nfs/dbraw/zinc/44/00/13/490440013.db2.gz UZWVXXQUHRCYDI-UHFFFAOYSA-N 2 0 216.328 1.928 20 0 BDADRP C[C@H]([NH2+][C@H]1CCSC1)C1CC[NH+](C)CC1 ZINC000222147288 490606737 /nfs/dbraw/zinc/60/67/37/490606737.db2.gz ABQSNKXMXAYKKJ-JQWIXIFHSA-N 2 0 228.405 1.812 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400943893 491069186 /nfs/dbraw/zinc/06/91/86/491069186.db2.gz CDJMHCZHXONSJC-AAVRWANBSA-N 3 0 239.407 1.304 20 0 BDADRP C[C@H](NCC1([NH+](C)C)CCCC1)[C@@H]1CCC[NH2+]1 ZINC000400739582 533832458 /nfs/dbraw/zinc/83/24/58/533832458.db2.gz SLPXLJPEUMGUKV-STQMWFEESA-N 2 0 239.407 1.591 20 0 BDADRP CCOCCC[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000250586511 535515770 /nfs/dbraw/zinc/51/57/70/535515770.db2.gz ZPRMNOBJINKQNY-RYUDHWBXSA-N 2 0 214.353 1.615 20 0 BDADRP CCOCCC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000082540529 535515806 /nfs/dbraw/zinc/51/58/06/535515806.db2.gz UHPXAQRSZBJOKM-UHFFFAOYSA-N 2 0 226.364 1.489 20 0 BDADRP C[NH+](C)CCC[NH2+]C[C@H]1C[C@@]1(C)Br ZINC000892430052 582884908 /nfs/dbraw/zinc/88/49/08/582884908.db2.gz ZLTHHACEEACXFZ-NXEZZACHSA-N 2 0 249.196 1.701 20 0 BDADRP CC(=O)CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062032903 526424607 /nfs/dbraw/zinc/42/46/07/526424607.db2.gz BEKCNXQVGIGHDC-UHFFFAOYSA-N 2 0 238.375 1.773 20 0 BDADRP CCC1(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)COC1 ZINC000400350873 527753374 /nfs/dbraw/zinc/75/33/74/527753374.db2.gz JZEKABGDLDXNBJ-MNOVXSKESA-N 2 0 212.337 1.143 20 0 BDADRP CC(C)OCCCC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400493032 527930328 /nfs/dbraw/zinc/93/03/28/527930328.db2.gz ZVUUFKVZHBLDBM-CHWSQXEVSA-N 2 0 228.380 1.922 20 0 BDADRP CC[NH+](CC)CCN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000400499373 528137725 /nfs/dbraw/zinc/13/77/25/528137725.db2.gz ICQJSXWDJHIHQM-VXGBXAGGSA-N 2 0 213.369 1.058 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC001172924656 974972590 /nfs/dbraw/zinc/97/25/90/974972590.db2.gz XBFLSVBUTRCPKP-WUHRBBMRSA-N 2 0 226.364 1.804 20 0 BDADRP CCOCCCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400519764 528656518 /nfs/dbraw/zinc/65/65/18/528656518.db2.gz GZFLITACVANFHV-RYUDHWBXSA-N 2 0 214.353 1.533 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400393454 528817861 /nfs/dbraw/zinc/81/78/61/528817861.db2.gz JIQDITIBCFBEGR-OLZOCXBDSA-N 2 0 227.396 1.447 20 0 BDADRP CC(C)[N@@H+](C)C[C@@H](C)N[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400337204 528828517 /nfs/dbraw/zinc/82/85/17/528828517.db2.gz GLBKPGAOWRIHRY-UPJWGTAASA-N 2 0 227.396 1.445 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000226336387 535003687 /nfs/dbraw/zinc/00/36/87/535003687.db2.gz LEGUNBJNQYZKBT-KGLIPLIRSA-N 2 0 241.423 1.824 20 0 BDADRP CC(C)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000335631303 535087217 /nfs/dbraw/zinc/08/72/17/535087217.db2.gz ABHMXALCWMQVBN-STQMWFEESA-N 2 0 210.365 1.964 20 0 BDADRP CC(C)[C@H]1C[N@H+](C)CCN1C[C@@H]1CCC[NH2+]C1 ZINC000336054875 535231450 /nfs/dbraw/zinc/23/14/50/535231450.db2.gz PCCNXHNVAAFOSY-ZIAGYGMSSA-N 2 0 239.407 1.258 20 0 BDADRP CCC[N@H+](CC)CCN[C@H]1CCCC[C@H]1C[NH3+] ZINC000261542855 535300759 /nfs/dbraw/zinc/30/07/59/535300759.db2.gz QTRQVUORPDARPM-KBPBESRZSA-N 2 0 241.423 1.825 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@]2(C)CCCO2)CC1 ZINC000087233124 535473659 /nfs/dbraw/zinc/47/36/59/535473659.db2.gz SRJRXLGFNWJPGC-ZDUSSCGKSA-N 2 0 226.364 1.629 20 0 BDADRP CCC[C@H](C)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000179308751 535629604 /nfs/dbraw/zinc/62/96/04/535629604.db2.gz RQFZTABLEMXOJL-AWEZNQCLSA-N 2 0 241.423 1.744 20 0 BDADRP CCOC[C@H](C)[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000084221037 535691965 /nfs/dbraw/zinc/69/19/65/535691965.db2.gz WRWXRZGVAVHTIC-AXFHLTTASA-N 2 0 200.326 1.128 20 0 BDADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)C(C)C)CC1 ZINC000155605287 535741798 /nfs/dbraw/zinc/74/17/98/535741798.db2.gz YXYHOQWVCVGSCE-ZIAGYGMSSA-N 2 0 241.423 1.647 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C2CCC([NH3+])CC2)[C@@H](C)C1 ZINC000335675815 535768129 /nfs/dbraw/zinc/76/81/29/535768129.db2.gz PSLZWCZWKASMAT-ABXWRUBCSA-N 3 0 239.407 1.576 20 0 BDADRP CC[C@@H]1CO[C@H](C)C[N@@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000261542842 535853882 /nfs/dbraw/zinc/85/38/82/535853882.db2.gz QQAGEOOBHRBZGQ-YIYPIFLZSA-N 2 0 240.391 1.874 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000251076539 536091512 /nfs/dbraw/zinc/09/15/12/536091512.db2.gz KRIBUFXQKPPORH-AAVRWANBSA-N 2 0 242.407 1.713 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccccc1C ZINC000234732094 536596267 /nfs/dbraw/zinc/59/62/67/536596267.db2.gz GUSQZDILAASGSJ-CQSZACIVSA-N 2 0 236.359 1.839 20 0 BDADRP COc1ccccc1CC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000230287015 537039859 /nfs/dbraw/zinc/03/98/59/537039859.db2.gz HLVFAVJYALXGHD-KGLIPLIRSA-N 2 0 248.370 1.955 20 0 BDADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCC1SCCS1 ZINC000853022928 588716651 /nfs/dbraw/zinc/71/66/51/588716651.db2.gz HVRWQTITVIBUST-VHSXEESVSA-N 2 0 246.445 1.852 20 0 BDADRP C[C@H](CCO)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000853239287 588728159 /nfs/dbraw/zinc/72/81/59/588728159.db2.gz DKIUPTFSVDHRDD-OCCSQVGLSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000854229759 588781035 /nfs/dbraw/zinc/78/10/35/588781035.db2.gz WQYDKKGVJBBWLG-YTWAJWBKSA-N 2 0 248.317 1.516 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000854229760 588780821 /nfs/dbraw/zinc/78/08/21/588780821.db2.gz WQYDKKGVJBBWLG-ZDCRXTMVSA-N 2 0 248.317 1.516 20 0 BDADRP C[C@H](CNC(=[NH2+])NC(C)(C)C)[NH+]1CCCC1 ZINC000112800795 588817212 /nfs/dbraw/zinc/81/72/12/588817212.db2.gz DFMFSAQJZNWOBB-SNVBAGLBSA-N 2 0 226.368 1.383 20 0 BDADRP Cc1cc(N)nc(NCCC[NH+]2CCCCC2)[nH+]1 ZINC000891590828 582700457 /nfs/dbraw/zinc/70/04/57/582700457.db2.gz BYVBCFFVVWWYIQ-UHFFFAOYSA-N 2 0 249.362 1.655 20 0 BDADRP C[C@H]1CCC[N@H+](CCNc2cc[nH+]cc2CO)C1 ZINC000891838236 582728158 /nfs/dbraw/zinc/72/81/58/582728158.db2.gz PXJYFNJFKPRDOC-LBPRGKRZSA-N 2 0 249.358 1.140 20 0 BDADRP CC1CC[NH+](CCNc2cc[nH+]cc2CO)CC1 ZINC000891830705 582728183 /nfs/dbraw/zinc/72/81/83/582728183.db2.gz VNVWFPXGGOCBKB-UHFFFAOYSA-N 2 0 249.358 1.140 20 0 BDADRP COC1CCC(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000892251543 582813537 /nfs/dbraw/zinc/81/35/37/582813537.db2.gz IWSKPYVHCCKZMU-AKJUYKBHSA-N 2 0 238.375 1.343 20 0 BDADRP CC[C@@H](C)NC(=[NH2+])NC[C@@H](C)[NH+]1CCCC1 ZINC000848986599 582818293 /nfs/dbraw/zinc/81/82/93/582818293.db2.gz KUUHBHXVFSIBQX-GHMZBOCLSA-N 2 0 226.368 1.383 20 0 BDADRP C[C@@H]([NH2+]C[C@@]1(C)CCOC1)C1CC[NH+](C)CC1 ZINC000397186109 583098510 /nfs/dbraw/zinc/09/85/10/583098510.db2.gz MFVIZKONDOTWCE-TZMCWYRMSA-N 2 0 240.391 1.733 20 0 BDADRP CC(C)C[C@H](O)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000222973232 583179648 /nfs/dbraw/zinc/17/96/48/583179648.db2.gz WSBQBTPOIZPWOF-OCCSQVGLSA-N 2 0 242.407 1.713 20 0 BDADRP C[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000726844446 583378655 /nfs/dbraw/zinc/37/86/55/583378655.db2.gz PXRJMFMZVWLUNT-TXEJJXNPSA-N 2 0 226.364 1.437 20 0 BDADRP CCN(CCC[NH+](C)C)C[C@H]1COC(C)(C)O1 ZINC000894472710 583468346 /nfs/dbraw/zinc/46/83/46/583468346.db2.gz VFZDFKIZSRIVBD-LBPRGKRZSA-N 2 0 244.379 1.412 20 0 BDADRP CC(C)O[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)C1 ZINC000894845609 583531103 /nfs/dbraw/zinc/53/11/03/583531103.db2.gz FVZVSSOTASLEIG-OKILXGFUSA-N 2 0 240.391 1.874 20 0 BDADRP c1ncc(C[NH2+]C[C@H]2CCOC3(CCC3)C2)[nH]1 ZINC000894896509 583550121 /nfs/dbraw/zinc/55/01/21/583550121.db2.gz XWFUWKDQALVCKU-NSHDSACASA-N 2 0 235.331 1.849 20 0 BDADRP CC[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H](O)C(C)C ZINC000894915420 583555310 /nfs/dbraw/zinc/55/53/10/583555310.db2.gz LFRWNFXHKIGCGV-KGLIPLIRSA-N 2 0 242.407 1.713 20 0 BDADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2COCC2(C)C)C1 ZINC000894984793 583564585 /nfs/dbraw/zinc/56/45/85/583564585.db2.gz KNGUDXONAJRRBT-STQMWFEESA-N 2 0 240.391 1.733 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2COCC2(C)C)C1 ZINC000894984787 583564790 /nfs/dbraw/zinc/56/47/90/583564790.db2.gz KNGUDXONAJRRBT-CHWSQXEVSA-N 2 0 240.391 1.733 20 0 BDADRP C[N@@H+]1CC[C@H]2CN(c3cc[nH+]cc3CO)CC[C@H]21 ZINC000895022067 583569759 /nfs/dbraw/zinc/56/97/59/583569759.db2.gz JYDGGGJQCVRBSZ-WCQYABFASA-N 2 0 247.342 1.104 20 0 BDADRP CC[C@@H](C)C[C@H](CO)[NH2+]CC1CC[NH+](C)CC1 ZINC000895111307 583590497 /nfs/dbraw/zinc/59/04/97/583590497.db2.gz BXTORDQBDWTDGQ-TZMCWYRMSA-N 2 0 242.407 1.715 20 0 BDADRP CC[C@H](C)C[C@H](CO)[NH2+]CC1CC[NH+](C)CC1 ZINC000895111304 583590541 /nfs/dbraw/zinc/59/05/41/583590541.db2.gz BXTORDQBDWTDGQ-GXTWGEPZSA-N 2 0 242.407 1.715 20 0 BDADRP CC[C@@H](C)C[C@@H](CO)[NH2+]CC1CC[NH+](C)CC1 ZINC000895111306 583590748 /nfs/dbraw/zinc/59/07/48/583590748.db2.gz BXTORDQBDWTDGQ-OCCSQVGLSA-N 2 0 242.407 1.715 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2COCC2(C)C)C1 ZINC000895188967 583619603 /nfs/dbraw/zinc/61/96/03/583619603.db2.gz UMVHJSSARXHXFK-GRYCIOLGSA-N 2 0 226.364 1.341 20 0 BDADRP CO[C@@](C)(C[NH2+]CC[C@@H](C)[NH+](C)C)C1CC1 ZINC000895294376 583638389 /nfs/dbraw/zinc/63/83/89/583638389.db2.gz VIUFPBICDPYMDD-YPMHNXCESA-N 2 0 228.380 1.731 20 0 BDADRP COC(=O)C(C)(C)CC[NH2+]CC[C@H](C)[NH+](C)C ZINC000895294399 583638395 /nfs/dbraw/zinc/63/83/95/583638395.db2.gz PXSHWEIMJDTEFV-NSHDSACASA-N 2 0 244.379 1.506 20 0 BDADRP CC1=NO[C@H](CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000895306240 583643562 /nfs/dbraw/zinc/64/35/62/583643562.db2.gz BLTMTKHPCBJCPT-AVGNSLFASA-N 2 0 237.347 1.368 20 0 BDADRP C[N@@H+]1CC[C@H]1CNc1nc(N)[nH+]c2c1CCCC2 ZINC000895768253 583724114 /nfs/dbraw/zinc/72/41/14/583724114.db2.gz AOLMQMHBYJHIQM-VIFPVBQESA-N 2 0 247.346 1.054 20 0 BDADRP CC(C)SCC[NH2+]C1CC[NH2+]CC1 ZINC000214400731 583731128 /nfs/dbraw/zinc/73/11/28/583731128.db2.gz VIJWXJUAAGVCCO-UHFFFAOYSA-N 2 0 202.367 1.470 20 0 BDADRP CC[C@H](CN1CCOCC1)Nc1cc(C)ccn1 ZINC000895804006 583731268 /nfs/dbraw/zinc/73/12/68/583731268.db2.gz HGVIFXFUEAQLPO-CYBMUJFWSA-N 2 0 249.358 1.913 20 0 BDADRP CN(C)c1ccnc(C[NH2+]CC[C@@H]2CCOC2)c1 ZINC000896298976 583789586 /nfs/dbraw/zinc/78/95/86/583789586.db2.gz MUVBKTPRLJKNSZ-GFCCVEGCSA-N 2 0 249.358 1.664 20 0 BDADRP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000858127594 588934667 /nfs/dbraw/zinc/93/46/67/588934667.db2.gz JRVKPMQUPFJKBG-NEPJUHHUSA-N 2 0 225.380 1.153 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000872143021 583948220 /nfs/dbraw/zinc/94/82/20/583948220.db2.gz JFEUYXISWXPGAS-QWHCGFSZSA-N 2 0 238.375 1.616 20 0 BDADRP C[C@@]1(C[NH3+])CC[N@H+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000872143020 583948230 /nfs/dbraw/zinc/94/82/30/583948230.db2.gz JFEUYXISWXPGAS-OLZOCXBDSA-N 2 0 238.375 1.616 20 0 BDADRP C[NH+]1CCC(Nc2cc[nH+]c(CO)c2)CC1 ZINC000858322763 588945626 /nfs/dbraw/zinc/94/56/26/588945626.db2.gz IPLAKJAADSVVOK-UHFFFAOYSA-N 2 0 221.304 1.080 20 0 BDADRP CC[C@H]1CCN(C(=[NH2+])NC[C@H]2CC[N@H+](C)C2)C1 ZINC000864451311 584005138 /nfs/dbraw/zinc/00/51/38/584005138.db2.gz HCLTYLSZZJYWCC-NWDGAFQWSA-N 2 0 238.379 1.194 20 0 BDADRP CC[C@H]1CCN(C(=[NH2+])NC[C@@H]2CC[N@H+](C)C2)C1 ZINC000864451323 584005418 /nfs/dbraw/zinc/00/54/18/584005418.db2.gz HCLTYLSZZJYWCC-RYUDHWBXSA-N 2 0 238.379 1.194 20 0 BDADRP C[NH+](C)[C@@H](CNc1cc[nH+]c(CO)c1)C1CC1 ZINC000858393769 588951136 /nfs/dbraw/zinc/95/11/36/588951136.db2.gz ZDFGCUCBFUHDMX-ZDUSSCGKSA-N 2 0 235.331 1.326 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]CC[C@H](O)C2CC2)CC1 ZINC000898202868 584089569 /nfs/dbraw/zinc/08/95/69/584089569.db2.gz DUWPZIZBVCHZCC-AWEZNQCLSA-N 2 0 240.391 1.610 20 0 BDADRP COC[C@@H](C)C[N@H+](C)CC(C)(C)C[NH+](C)C ZINC000898307399 584109531 /nfs/dbraw/zinc/10/95/31/584109531.db2.gz AZBMWQOUTGJLFE-LBPRGKRZSA-N 2 0 230.396 1.789 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C12CCC2 ZINC000873252865 584128050 /nfs/dbraw/zinc/12/80/50/584128050.db2.gz WRFUGSVMDDKZNJ-YVECIDJPSA-N 2 0 238.375 1.661 20 0 BDADRP CC1(C)[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)[C@H]2CCCO[C@H]21 ZINC000873250065 584128271 /nfs/dbraw/zinc/12/82/71/584128271.db2.gz DDNZGMSXNNXQKH-NZEXEKPDSA-N 2 0 238.375 1.517 20 0 BDADRP CN(CC[N@H+](C)C1CC1)c1cc[nH+]c(CO)c1 ZINC000858486937 588960098 /nfs/dbraw/zinc/96/00/98/588960098.db2.gz RIFQAODXARZWHX-UHFFFAOYSA-N 2 0 235.331 1.104 20 0 BDADRP CC(C)(C)[C@@H]([NH3+])Cc1nc([C@@H]2CCC[NH2+]2)no1 ZINC000900009416 584265051 /nfs/dbraw/zinc/26/50/51/584265051.db2.gz GILUUIPDDCGLEP-IUCAKERBSA-N 2 0 238.335 1.410 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902321134 584552200 /nfs/dbraw/zinc/55/22/00/584552200.db2.gz UXISSJKIGLVDCJ-RWMBFGLXSA-N 2 0 242.407 1.761 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902347093 584559022 /nfs/dbraw/zinc/55/90/22/584559022.db2.gz KTOKROPDBRWIME-OLZOCXBDSA-N 2 0 242.407 1.905 20 0 BDADRP CSCC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902326127 584560504 /nfs/dbraw/zinc/56/05/04/584560504.db2.gz BCAUPAJNUYDSNL-JTQLQIEISA-N 2 0 216.394 1.717 20 0 BDADRP CC[C@@H](CCO)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902358693 584570887 /nfs/dbraw/zinc/57/08/87/584570887.db2.gz CMIIGRRBXBOHJZ-RYUDHWBXSA-N 2 0 228.380 1.515 20 0 BDADRP CC(C)CO[C@@H]1C[C@H]([NH2+]CC2([NH3+])CC2)C1(C)C ZINC000902412461 584576202 /nfs/dbraw/zinc/57/62/02/584576202.db2.gz AHGMHUBCFLNHBQ-NWDGAFQWSA-N 2 0 240.391 1.907 20 0 BDADRP CC(C)[C@H]1C[C@@H]([NH2+]CC2([NH3+])CC2)CCO1 ZINC000902412540 584576231 /nfs/dbraw/zinc/57/62/31/584576231.db2.gz CRLSCDTVPOABTR-WDEREUQCSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@@H](C[NH+](C)C)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902384347 584577528 /nfs/dbraw/zinc/57/75/28/584577528.db2.gz JFAZJSYDJSTLLP-NWDGAFQWSA-N 2 0 227.396 1.304 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902384509 584577712 /nfs/dbraw/zinc/57/77/12/584577712.db2.gz LQCSRMWVXSXQSN-QWHCGFSZSA-N 2 0 242.407 1.619 20 0 BDADRP CC(C)(CO)CC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902387309 584579131 /nfs/dbraw/zinc/57/91/31/584579131.db2.gz JJGFSLGYMIWBLN-GFCCVEGCSA-N 2 0 242.407 1.763 20 0 BDADRP CC[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)[C@@H](C)O ZINC000902389172 584580669 /nfs/dbraw/zinc/58/06/69/584580669.db2.gz VOFBRGPQNLNTDZ-WOPDTQHZSA-N 2 0 228.380 1.514 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)C1CC1 ZINC000902389084 584580678 /nfs/dbraw/zinc/58/06/78/584580678.db2.gz RXXQWEBDJNIFKF-CHWSQXEVSA-N 2 0 240.391 1.779 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H](CO)C2CCC2)C1 ZINC000902391457 584581893 /nfs/dbraw/zinc/58/18/93/584581893.db2.gz GEOOMLPYWBOHPH-CHWSQXEVSA-N 2 0 240.391 1.515 20 0 BDADRP COCC1(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902391445 584582418 /nfs/dbraw/zinc/58/24/18/584582418.db2.gz GAUWFWYQIVRZGP-GFCCVEGCSA-N 2 0 240.391 1.781 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000902392083 584583052 /nfs/dbraw/zinc/58/30/52/584583052.db2.gz JZJOFEXCRMQYRJ-LOWDOPEQSA-N 2 0 238.375 1.674 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000902393549 584583775 /nfs/dbraw/zinc/58/37/75/584583775.db2.gz PVIVMOPRCKHWHA-AGIUHOORSA-N 3 0 239.407 1.482 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CO1 ZINC000902394518 584584548 /nfs/dbraw/zinc/58/45/48/584584548.db2.gz YLQTXNWOTHZCGS-UTUOFQBUSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902401761 584587369 /nfs/dbraw/zinc/58/73/69/584587369.db2.gz CXFACHGWTFXQPH-FRRDWIJNSA-N 3 0 239.407 1.210 20 0 BDADRP C[C@@H](CSC(C)(C)C)[NH2+]CC1([NH3+])CC1 ZINC000902416449 584590655 /nfs/dbraw/zinc/59/06/55/584590655.db2.gz OIKFYIXLCGJZGH-VIFPVBQESA-N 2 0 216.394 1.988 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000902428299 584594230 /nfs/dbraw/zinc/59/42/30/584594230.db2.gz BIQXRQXNVFILOB-RNJOBUHISA-N 2 0 224.348 1.413 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902434291 584596230 /nfs/dbraw/zinc/59/62/30/584596230.db2.gz NDVHIZHQHHZWNE-ZGKBOVNRSA-N 2 0 245.370 1.328 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902434287 584596239 /nfs/dbraw/zinc/59/62/39/584596239.db2.gz NDVHIZHQHHZWNE-NMFUWQPSSA-N 2 0 245.370 1.328 20 0 BDADRP C[C@H]1CC[NH2+]C[C@H]1N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902436569 584596738 /nfs/dbraw/zinc/59/67/38/584596738.db2.gz ZWDQIYDJYCQVQF-CJYSPXJISA-N 2 0 245.370 1.199 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cnn(CCF)c1 ZINC000902442315 584597574 /nfs/dbraw/zinc/59/75/74/584597574.db2.gz BHEWMOXOVPBGQA-NSHDSACASA-N 2 0 242.342 1.460 20 0 BDADRP CC1(C)C[NH2+]C[C@@H]1[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000902444252 584598120 /nfs/dbraw/zinc/59/81/20/584598120.db2.gz MXZPBWGIYGJVGD-TUAOUCFPSA-N 2 0 208.349 1.763 20 0 BDADRP CC1(C)[C@H]([NH2+]CC2([NH3+])CC2)[C@@H]2CCCO[C@@H]21 ZINC000902414104 584599369 /nfs/dbraw/zinc/59/93/69/584599369.db2.gz SOCCUDFCYNWVFE-AXFHLTTASA-N 2 0 224.348 1.271 20 0 BDADRP C[C@H]1C[C@@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C[N@@H+]1C1CC1 ZINC000902474493 584601947 /nfs/dbraw/zinc/60/19/47/584601947.db2.gz FPECVYALCYHSLE-QPKSUZNQSA-N 2 0 235.375 1.094 20 0 BDADRP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C1CCOCC1 ZINC000902476809 584602478 /nfs/dbraw/zinc/60/24/78/584602478.db2.gz PGFMULRRVWVQTA-FOUMNBMASA-N 2 0 224.348 1.284 20 0 BDADRP C1C[C@@H]2C[C@@H](N[C@@H]3C[C@H]4CC[C@@H]3[NH2+]4)CC[N@@H+]2C1 ZINC000902475291 584602646 /nfs/dbraw/zinc/60/26/46/584602646.db2.gz HRZQXTNTZMTROF-XHJNMGKDSA-N 2 0 235.375 1.096 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@H]1CCCCC[NH2+]1 ZINC000902477100 584603398 /nfs/dbraw/zinc/60/33/98/584603398.db2.gz PQBNYOWDNCEQCH-BFHYXJOUSA-N 2 0 239.407 1.626 20 0 BDADRP CC1(C)C[NH2+]C[C@@H]1N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000902446977 584604079 /nfs/dbraw/zinc/60/40/79/584604079.db2.gz WSPGWWNHOIDGDB-MCIONIFRSA-N 2 0 245.370 1.719 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902451112 584606814 /nfs/dbraw/zinc/60/68/14/584606814.db2.gz FPPOCAWTUJYTLA-RVYZKMQPSA-N 2 0 248.370 1.268 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C12CCC2 ZINC000902452866 584607883 /nfs/dbraw/zinc/60/78/83/584607883.db2.gz MTGRGFATDMFNEI-QLHLUDRRSA-N 2 0 234.343 1.022 20 0 BDADRP C[C@H]1[NH2+]CCC[C@H]1NCC[N@@H+]1CCC(C)(C)C1 ZINC000902456654 584610191 /nfs/dbraw/zinc/61/01/91/584610191.db2.gz QADQPTLNIXCPQH-CHWSQXEVSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](C)c1cncs1 ZINC000902456383 584610235 /nfs/dbraw/zinc/61/02/35/584610235.db2.gz ONPVSRYJDUDCNX-DJLDLDEBSA-N 2 0 213.350 1.920 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902466180 584613646 /nfs/dbraw/zinc/61/36/46/584613646.db2.gz JPGAQKLEMFVGGZ-RXGFPQBGSA-N 2 0 223.364 1.129 20 0 BDADRP C1CCC2(C1)[NH2+]CC[C@@H]2N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902466799 584613742 /nfs/dbraw/zinc/61/37/42/584613742.db2.gz MXJPJIOHUMMOLR-XQHKEYJVSA-N 2 0 235.375 1.144 20 0 BDADRP C1CC1C([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C1CC1 ZINC000902471457 584616454 /nfs/dbraw/zinc/61/64/54/584616454.db2.gz OPWVCUOHRLNUAA-QJPTWQEYSA-N 2 0 206.333 1.658 20 0 BDADRP CC[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@H]1CCOC1 ZINC000902472133 584617209 /nfs/dbraw/zinc/61/72/09/584617209.db2.gz XQQQPVWHVQPHDE-JZRPKSSGSA-N 2 0 224.348 1.284 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CC[C@@H](O)C2CC2)C12CCC2 ZINC000902504613 584621339 /nfs/dbraw/zinc/62/13/39/584621339.db2.gz OYNFGDSDQDMKJR-UTUOFQBUSA-N 2 0 224.348 1.007 20 0 BDADRP C[C@H](NC[C@H]1CCCCC[NH2+]1)c1c[nH+]ccc1N ZINC000902483253 584624093 /nfs/dbraw/zinc/62/40/93/584624093.db2.gz QDKLCNCLJARSRT-NWDGAFQWSA-N 2 0 248.374 1.677 20 0 BDADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC000902485686 584625514 /nfs/dbraw/zinc/62/55/14/584625514.db2.gz MPLBBQPIOIFRJM-JHJVBQTASA-N 2 0 238.375 1.663 20 0 BDADRP COC1CCC([NH2+][C@H]2C[C@H](C[NH3+])C2)CC1 ZINC000902487263 584625975 /nfs/dbraw/zinc/62/59/75/584625975.db2.gz SMYOSFDHCNLTKH-KYTFYNBLSA-N 2 0 212.337 1.271 20 0 BDADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000902487655 584626657 /nfs/dbraw/zinc/62/66/57/584626657.db2.gz LEILEBGCZXHSGY-XDTLVQLUSA-N 2 0 208.349 1.892 20 0 BDADRP Cc1nccnc1[C@H](C)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902487920 584626737 /nfs/dbraw/zinc/62/67/37/584626737.db2.gz VWIFQBGFSVJNPI-DCAQKATOSA-N 2 0 220.320 1.173 20 0 BDADRP Cc1ncccc1CC[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000902514266 584629467 /nfs/dbraw/zinc/62/94/67/584629467.db2.gz RJQRHBJGVACJNK-STQMWFEESA-N 2 0 219.332 1.402 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C/C=C\Cl ZINC000902517487 584630063 /nfs/dbraw/zinc/63/00/63/584630063.db2.gz IIBFQQXOLXYGMA-YWWWGHDXSA-N 2 0 202.729 1.846 20 0 BDADRP C[C@@H]([NH2+][C@H](c1ccncc1)C1CC1)C1C[NH2+]C1 ZINC000902521687 584631423 /nfs/dbraw/zinc/63/14/23/584631423.db2.gz SQHAISOBHULSIB-YGRLFVJLSA-N 2 0 231.343 1.730 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]Cc2cc(N(C)C)ccn2)CO1 ZINC000903197969 584734912 /nfs/dbraw/zinc/73/49/12/584734912.db2.gz YEIYQZOMNUFVFS-GXTWGEPZSA-N 2 0 249.358 1.805 20 0 BDADRP C[C@@H]1[C@@H]([NH2+]CCN2CCC(C)(C)C2)CO[C@H]1C ZINC000903346030 584752916 /nfs/dbraw/zinc/75/29/16/584752916.db2.gz ZQJRZWGBDLQHKU-AVGNSLFASA-N 2 0 240.391 1.731 20 0 BDADRP C[C@H]1[C@H](C)OC[C@H]1[NH2+]CCN1CCC(C)(C)C1 ZINC000903346032 584752997 /nfs/dbraw/zinc/75/29/97/584752997.db2.gz ZQJRZWGBDLQHKU-RWMBFGLXSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](CCO)CC(C)(C)C ZINC000903434276 584762000 /nfs/dbraw/zinc/76/20/00/584762000.db2.gz ABMMSVSCZUZTRM-NEPJUHHUSA-N 2 0 228.380 1.182 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@H]3COCC[C@H]32)C1 ZINC000903441458 584763518 /nfs/dbraw/zinc/76/35/18/584763518.db2.gz SZLQTTFFSMPUCQ-IGQOVBAYSA-N 2 0 238.375 1.615 20 0 BDADRP C(C[N@H+](C1CC1)C1CC[NH2+]CC1)OC1CC1 ZINC000903420526 584763986 /nfs/dbraw/zinc/76/39/86/584763986.db2.gz ARDLVLOIMHGIEC-UHFFFAOYSA-N 2 0 224.348 1.382 20 0 BDADRP C([C@H]1CCC[NH2+]1)N1CC[C@@]2(C1)CCCOC2 ZINC000903464149 584767256 /nfs/dbraw/zinc/76/72/56/584767256.db2.gz BFOKGTSJIHODJW-CHWSQXEVSA-N 2 0 224.348 1.241 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCCC[C@@H]1CCO ZINC000903463981 584767270 /nfs/dbraw/zinc/76/72/70/584767270.db2.gz VLKPZRLMCKXJOG-FRRDWIJNSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000903442603 584767666 /nfs/dbraw/zinc/76/76/66/584767666.db2.gz UCINPFPQNJMUHZ-YPMHNXCESA-N 2 0 248.374 1.445 20 0 BDADRP C[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H](C)CN1C ZINC000903454416 584773517 /nfs/dbraw/zinc/77/35/17/584773517.db2.gz BOOMMDSWPMSUFG-RVMXOQNASA-N 2 0 225.380 1.138 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000903455277 584773916 /nfs/dbraw/zinc/77/39/16/584773916.db2.gz SHSPISQULRSGFG-MCIONIFRSA-N 2 0 245.370 1.726 20 0 BDADRP [NH3+]C[C@@H](NC[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000903455481 584773962 /nfs/dbraw/zinc/77/39/62/584773962.db2.gz WQEPXKVNYGBMOA-CHWSQXEVSA-N 2 0 225.380 1.236 20 0 BDADRP COC(=O)C[C@@H]1CCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903455539 584774052 /nfs/dbraw/zinc/77/40/52/584774052.db2.gz ZEDDBFPAENQCFB-WOPDTQHZSA-N 2 0 240.347 1.141 20 0 BDADRP [NH3+]C[C@H](NC[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000903455482 584774298 /nfs/dbraw/zinc/77/42/98/584774298.db2.gz WQEPXKVNYGBMOA-OLZOCXBDSA-N 2 0 225.380 1.236 20 0 BDADRP C1=CCC(C[NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000903471474 584775651 /nfs/dbraw/zinc/77/56/51/584775651.db2.gz JPCQAPMAOQENMJ-GFCCVEGCSA-N 2 0 206.333 1.827 20 0 BDADRP [NH3+]CCCCCCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903472182 584776363 /nfs/dbraw/zinc/77/63/63/584776363.db2.gz XMPJGKXNQIXRCL-CYBMUJFWSA-N 3 0 239.407 1.770 20 0 BDADRP [NH3+][C@@H]1CC[C@H](CN2CCC[C@H]3C[NH2+]CC[C@@H]32)C1 ZINC000903475714 584777008 /nfs/dbraw/zinc/77/70/08/584777008.db2.gz BBJSBWMCBYBGMH-FQUUOJAGSA-N 2 0 237.391 1.188 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)CCCCCC[NH3+] ZINC000903482491 584778955 /nfs/dbraw/zinc/77/89/55/584778955.db2.gz JGYGZIVSGDBBKU-OLZOCXBDSA-N 3 0 227.396 1.293 20 0 BDADRP CCO[C@H](C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1)C1CC1 ZINC000903498470 584780266 /nfs/dbraw/zinc/78/02/66/584780266.db2.gz GSAZTZOIXDQNDU-MRVWCRGKSA-N 2 0 240.391 1.718 20 0 BDADRP C[NH2+]CCC[N@@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000903491140 584780805 /nfs/dbraw/zinc/78/08/05/584780805.db2.gz XBUUPINJXQPKIK-LSDHHAIUSA-N 2 0 230.355 1.869 20 0 BDADRP [NH3+]CCC[N@@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000903491212 584780903 /nfs/dbraw/zinc/78/09/03/584780903.db2.gz ZIWUSLNTESUDNR-KGLIPLIRSA-N 2 0 216.328 1.609 20 0 BDADRP CCCC[N@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903718118 584792258 /nfs/dbraw/zinc/79/22/58/584792258.db2.gz ZYISPAVFQAOBOA-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP CC1(C)C[NH2+]CCN1C[C@@H]1CCCC[NH2+]C1 ZINC000903717260 584792608 /nfs/dbraw/zinc/79/26/08/584792608.db2.gz LWAACDOWFBYYMD-GFCCVEGCSA-N 2 0 225.380 1.060 20 0 BDADRP CC1CC[NH+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903717620 584792627 /nfs/dbraw/zinc/79/26/27/584792627.db2.gz BUCIIHIVALYODL-KBPBESRZSA-N 2 0 238.375 1.487 20 0 BDADRP CC[C@H](C)C[N@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903729004 584792971 /nfs/dbraw/zinc/79/29/71/584792971.db2.gz JCQOLCQXGZGEJH-MJBXVCDLSA-N 2 0 240.391 1.733 20 0 BDADRP CC[C@H](C)C[N@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903729002 584793026 /nfs/dbraw/zinc/79/30/26/584793026.db2.gz JCQOLCQXGZGEJH-IHRRRGAJSA-N 2 0 240.391 1.733 20 0 BDADRP C[NH2+][C@@H]1CCCN(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903715879 584794109 /nfs/dbraw/zinc/79/41/09/584794109.db2.gz BDUUHJBVQLLQFT-CHWSQXEVSA-N 2 0 225.380 1.060 20 0 BDADRP CC[C@@H]1CN(C[C@H]2CCCC[NH2+]C2)CC[C@H]1[NH3+] ZINC000903747069 584794855 /nfs/dbraw/zinc/79/48/55/584794855.db2.gz OWWVEZPIHQXNGJ-BFHYXJOUSA-N 2 0 239.407 1.435 20 0 BDADRP C[C@H]1C[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@H]1C ZINC000903734755 584795931 /nfs/dbraw/zinc/79/59/31/584795931.db2.gz WCRDMKKGOFXUOV-RFQIPJPRSA-N 2 0 238.375 1.343 20 0 BDADRP CC[C@@H]1CC[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903734085 584795935 /nfs/dbraw/zinc/79/59/35/584795935.db2.gz UYLQLMWGOYOFDU-MGPQQGTHSA-N 2 0 238.375 1.487 20 0 BDADRP CC[N@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CCC1 ZINC000903735140 584796127 /nfs/dbraw/zinc/79/61/27/584796127.db2.gz YBPOVFHICNJNSC-UONOGXRCSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@H]1C[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C[C@H]1C ZINC000903734753 584796202 /nfs/dbraw/zinc/79/62/02/584796202.db2.gz WCRDMKKGOFXUOV-CRWXNKLISA-N 2 0 238.375 1.343 20 0 BDADRP C([C@@H]1CCCC[NH2+]C1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000903741739 584796731 /nfs/dbraw/zinc/79/67/31/584796731.db2.gz SHSTVZJIDNGUDN-OCCSQVGLSA-N 2 0 237.391 1.202 20 0 BDADRP CC1CC(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)C1 ZINC000903784012 584800420 /nfs/dbraw/zinc/80/04/20/584800420.db2.gz IYOPXRBCUKVEDV-POOIEITISA-N 2 0 210.365 1.949 20 0 BDADRP [NH3+]C[C@@]12CC[C@H]1CCCN2CC1CC[NH2+]CC1 ZINC000903796988 584801187 /nfs/dbraw/zinc/80/11/87/584801187.db2.gz ZUDNGSNYDJYVQS-KGLIPLIRSA-N 2 0 237.391 1.189 20 0 BDADRP [NH3+]C[C@]12CC[C@@H]1CCCN2CC[C@@H]1CC[NH2+]C1 ZINC000903803181 584802114 /nfs/dbraw/zinc/80/21/14/584802114.db2.gz WPPNPDUBCMEQQO-MELADBBJSA-N 2 0 237.391 1.189 20 0 BDADRP C[C@@H]1CC=CC[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000903850395 584808343 /nfs/dbraw/zinc/80/83/43/584808343.db2.gz PRFIOJHBZIOLKT-DGCLKSJQSA-N 2 0 208.349 1.930 20 0 BDADRP CC(C)OCCC[N@@H+]1CC[C@H]2CC[C@]21CN ZINC000903855581 584809071 /nfs/dbraw/zinc/80/90/71/584809071.db2.gz NOOUTOZYILMYCK-OLZOCXBDSA-N 2 0 226.364 1.615 20 0 BDADRP [NH3+]CCCCCCCN1CCC[C@]12CC[NH2+]C2 ZINC000903865162 584813174 /nfs/dbraw/zinc/81/31/74/584813174.db2.gz AXJOKZGDKSSEFX-CQSZACIVSA-N 2 0 239.407 1.724 20 0 BDADRP CCC[C@@H]1C[NH2+]CCN1C[C@H]([NH3+])CC(F)F ZINC000903873337 584815824 /nfs/dbraw/zinc/81/58/24/584815824.db2.gz HFNMFEFTFLNOAZ-NXEZZACHSA-N 2 0 235.322 1.043 20 0 BDADRP OC[C@@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903874147 584815873 /nfs/dbraw/zinc/81/58/73/584815873.db2.gz TWWVFPPSTXISCS-RLAWYHOSSA-N 2 0 238.375 1.221 20 0 BDADRP CC(C)[C@@H]([NH3+])CCN(C)C[C@@H]([NH3+])CC(F)F ZINC000903873551 584815964 /nfs/dbraw/zinc/81/59/64/584815964.db2.gz JSPWIPZNUYIEPL-UWVGGRQHSA-N 2 0 237.338 1.274 20 0 BDADRP C[C@@H]1NCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1C ZINC000903873946 584816052 /nfs/dbraw/zinc/81/60/52/584816052.db2.gz OOMCYSUWHZMISF-WSOGJNRSSA-N 2 0 237.391 1.199 20 0 BDADRP Cc1c(C[C@@H](C[NH3+])C[N@@H+](C)C(C)C)cnn1C ZINC000903873635 584816126 /nfs/dbraw/zinc/81/61/26/584816126.db2.gz VXZSVQWMXPNBCD-LBPRGKRZSA-N 2 0 238.379 1.186 20 0 BDADRP CCC[C@H]1C[NH2+]CCN1C[C@H]([NH3+])CC(F)F ZINC000903873340 584816171 /nfs/dbraw/zinc/81/61/71/584816171.db2.gz HFNMFEFTFLNOAZ-ZJUUUORDSA-N 2 0 235.322 1.043 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000903874479 584816430 /nfs/dbraw/zinc/81/64/30/584816430.db2.gz BQXLDRJMAQMPEU-KGLIPLIRSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@@]1(C2CC2)COCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903882003 584818039 /nfs/dbraw/zinc/81/80/39/584818039.db2.gz LQMYBYYNSVJQOC-XBFCOCLRSA-N 2 0 238.375 1.615 20 0 BDADRP CC(C)(CCO)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903898392 584819923 /nfs/dbraw/zinc/81/99/23/584819923.db2.gz KYIIGJXBCSPGQX-YOGCLGLASA-N 2 0 226.364 1.268 20 0 BDADRP OCC1([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000903902823 584821312 /nfs/dbraw/zinc/82/13/12/584821312.db2.gz NTXUWMYREKANNM-YOGCLGLASA-N 2 0 224.348 1.022 20 0 BDADRP C([NH2+][C@@H]1CCC[NH2+]CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903920990 584823016 /nfs/dbraw/zinc/82/30/16/584823016.db2.gz ZJANAXWTHLHSCX-CPIKKWJDSA-N 3 0 237.391 1.249 20 0 BDADRP [NH3+]Cc1ccc(NC[C@H]([NH3+])CC(F)F)cc1 ZINC000903920369 584823036 /nfs/dbraw/zinc/82/30/36/584823036.db2.gz UHAIVIMVHPNAKP-SECBINFHSA-N 2 0 229.274 1.540 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903920930 584823419 /nfs/dbraw/zinc/82/34/19/584823419.db2.gz XYECGLCFENOOLF-RLAWYHOSSA-N 3 0 239.407 1.624 20 0 BDADRP CCC(CC)[C@@H](O)C[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903923159 584823472 /nfs/dbraw/zinc/82/34/72/584823472.db2.gz MYWQJDHDNJRPNR-ZJUUUORDSA-N 2 0 238.322 1.356 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903923156 584823568 /nfs/dbraw/zinc/82/35/68/584823568.db2.gz MYWQJDHDNJRPNR-NXEZZACHSA-N 2 0 238.322 1.356 20 0 BDADRP Cn1nccc1C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903922632 584823862 /nfs/dbraw/zinc/82/38/62/584823862.db2.gz BCIACKZXOFNKQE-YOGCLGLASA-N 2 0 234.347 1.040 20 0 BDADRP Cc1cc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)on1 ZINC000903926296 584824479 /nfs/dbraw/zinc/82/44/79/584824479.db2.gz KJEJBSPQEMOJBK-YOGCLGLASA-N 2 0 235.331 1.603 20 0 BDADRP CC(C)C[C@@H]([NH3+])CNCCC(C)(C)[NH3+] ZINC000903940103 584829167 /nfs/dbraw/zinc/82/91/67/584829167.db2.gz XAWKQBLELCYPRL-SNVBAGLBSA-N 2 0 201.358 1.077 20 0 BDADRP C[C@H](O)c1ncc(C[NH2+]CCC(C)(C)[NH3+])s1 ZINC000903940046 584828912 /nfs/dbraw/zinc/82/89/12/584828912.db2.gz UILAMHWDRWSEGV-QMMMGPOBSA-N 2 0 243.376 1.413 20 0 BDADRP C[C@H]1C[C@H](C[NH2+]Cc2cc(N)ccn2)CC[NH2+]1 ZINC000903953192 584831351 /nfs/dbraw/zinc/83/13/51/584831351.db2.gz BWQHCVJZRUKATE-WDEREUQCSA-N 2 0 234.347 1.142 20 0 BDADRP [NH3+]C1CCC([NH2+]C[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000903956439 584832085 /nfs/dbraw/zinc/83/20/85/584832085.db2.gz LUBOHKVGHQKRAZ-KPPDAEKUSA-N 3 0 247.333 1.091 20 0 BDADRP COC[C@@H](CC(C)C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903978793 584832865 /nfs/dbraw/zinc/83/28/65/584832865.db2.gz MKQLRBRQWJISIE-MGPQQGTHSA-N 2 0 242.407 1.883 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903978388 584832901 /nfs/dbraw/zinc/83/29/01/584832901.db2.gz NWMJOWMCCRYVBZ-JHJVBQTASA-N 3 0 227.396 1.277 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C[C@H]1CC[NH3+] ZINC000903978131 584832943 /nfs/dbraw/zinc/83/29/43/584832943.db2.gz GDWZHMKFOIGJCM-AAVRWANBSA-N 3 0 239.407 1.291 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)C[C@H]1CC[NH3+] ZINC000903978133 584833151 /nfs/dbraw/zinc/83/31/51/584833151.db2.gz GDWZHMKFOIGJCM-YIYPIFLZSA-N 3 0 239.407 1.291 20 0 BDADRP COC1CCC([NH2+][C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903963682 584833739 /nfs/dbraw/zinc/83/37/39/584833739.db2.gz FRORINPXHBGEFZ-HBIQZDMRSA-N 2 0 212.337 1.142 20 0 BDADRP CC(C)[C@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000903966746 584834340 /nfs/dbraw/zinc/83/43/40/584834340.db2.gz AWTOWWIGJDEELS-XJFOESAGSA-N 2 0 240.391 1.635 20 0 BDADRP Cc1ccc(O)c(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000903964857 584834739 /nfs/dbraw/zinc/83/47/39/584834739.db2.gz SQFMBMPYIKVJPJ-KOLCDFICSA-N 2 0 235.331 1.041 20 0 BDADRP COC1CCC([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903967124 584834998 /nfs/dbraw/zinc/83/49/98/584834998.db2.gz HMCYMAFWURFKMG-IALDZJHCSA-N 2 0 226.364 1.389 20 0 BDADRP Cc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cn1 ZINC000903968320 584835216 /nfs/dbraw/zinc/83/52/16/584835216.db2.gz SNZZRZNUWLPLHX-MFKMUULPSA-N 2 0 219.332 1.335 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCO[C@H]2C2CC2)CC[NH2+]1 ZINC000903986781 584835588 /nfs/dbraw/zinc/83/55/88/584835588.db2.gz RYDCMORXJFRICN-WVWOOGAGSA-N 2 0 238.375 1.532 20 0 BDADRP C[C@@H]1CN(C[C@@H]([NH3+])CCC(C)(C)C)C[C@@H](C)[NH2+]1 ZINC000904299847 584860525 /nfs/dbraw/zinc/86/05/25/584860525.db2.gz PRVQSHAJGWNCTA-UPJWGTAASA-N 2 0 241.423 1.822 20 0 BDADRP C[C@@H]1CN(C[C@@]2(C)CCC[NH2+]C2)CC[C@H]1[NH3+] ZINC000904299684 584860704 /nfs/dbraw/zinc/86/07/04/584860704.db2.gz LOTMHTBPLUHNTC-UPJWGTAASA-N 2 0 225.380 1.045 20 0 BDADRP [NH3+]Cc1ccc(CN2CCCC[C@H]2C[NH3+])cc1 ZINC000904299876 584860765 /nfs/dbraw/zinc/86/07/65/584860765.db2.gz QKRQMJKVVJNJEU-AWEZNQCLSA-N 2 0 233.359 1.459 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1ccc(C[NH3+])cc1 ZINC000904299484 584860823 /nfs/dbraw/zinc/86/08/23/584860823.db2.gz FQGOJEYBISLBHM-DOMZBBRYSA-N 2 0 247.386 1.847 20 0 BDADRP CCC[C@@H]1C[NH2+]CCN1Cc1ccc(C[NH3+])cc1 ZINC000904300850 584861070 /nfs/dbraw/zinc/86/10/70/584861070.db2.gz CDCBWZXLFKONHH-OAHLLOKOSA-N 2 0 247.386 1.719 20 0 BDADRP CN(CC(C)(C)C[NH3+])C[C@@]1(C)CCC[NH2+]C1 ZINC000904301689 584861256 /nfs/dbraw/zinc/86/12/56/584861256.db2.gz PAYJJZLFCQLPHD-ZDUSSCGKSA-N 2 0 227.396 1.293 20 0 BDADRP C[NH2+]CCN(C)C[C@@H]([NH3+])CCC(C)(C)C ZINC000904301146 584861569 /nfs/dbraw/zinc/86/15/69/584861569.db2.gz HQMHWJAPMLMBOW-NSHDSACASA-N 2 0 215.385 1.291 20 0 BDADRP C[C@@H](O)CC[N@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904322077 584864637 /nfs/dbraw/zinc/86/46/37/584864637.db2.gz NXKWEZGETJTYDP-VXGBXAGGSA-N 2 0 214.353 1.079 20 0 BDADRP CCO[C@@H]1C[C@@H]([N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C1(C)C ZINC000904322630 584864835 /nfs/dbraw/zinc/86/48/35/584864835.db2.gz FVVVYMBZSRIPAB-YVECIDJPSA-N 2 0 240.391 1.859 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@@H](OC(F)F)C2)C1 ZINC000904332879 584865743 /nfs/dbraw/zinc/86/57/43/584865743.db2.gz SEOAWXQHHCNLFO-KXUCPTDWSA-N 2 0 234.290 1.427 20 0 BDADRP CC(C)CO[C@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904329335 584866116 /nfs/dbraw/zinc/86/61/16/584866116.db2.gz WLHYNVGNDSUPJU-XQQFMLRXSA-N 2 0 226.364 1.471 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])C[NH2+]C1CCC([NH3+])CC1 ZINC000904333764 584866479 /nfs/dbraw/zinc/86/64/79/584866479.db2.gz FOEVAJKAFYFORI-OTTFEQOBSA-N 3 0 241.423 2.000 20 0 BDADRP C[N@H+](CCCCCO)C[C@]1(C)CCC[NH2+]C1 ZINC000904341967 584867082 /nfs/dbraw/zinc/86/70/82/584867082.db2.gz SMGIUPXAIJPWCD-CYBMUJFWSA-N 2 0 228.380 1.471 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@@H]3COCC[C@H]32)C1 ZINC000904344971 584867672 /nfs/dbraw/zinc/86/76/72/584867672.db2.gz BZNZBLZPDRXRRG-FVCCEPFGSA-N 2 0 224.348 1.225 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)C1 ZINC000904343499 584867892 /nfs/dbraw/zinc/86/78/92/584867892.db2.gz UPIFMSILMBAWOL-WUHRBBMRSA-N 2 0 224.348 1.082 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@H]3COCC[C@H]32)C1 ZINC000904344974 584867963 /nfs/dbraw/zinc/86/79/63/584867963.db2.gz BZNZBLZPDRXRRG-WUHRBBMRSA-N 2 0 224.348 1.225 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@H]2C2CCOCC2)C1 ZINC000904346142 584868189 /nfs/dbraw/zinc/86/81/89/584868189.db2.gz PNAFZQGUQQRFKM-YUTCNCBUSA-N 2 0 238.375 1.615 20 0 BDADRP C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904349741 584868867 /nfs/dbraw/zinc/86/88/67/584868867.db2.gz ASPPQSCTNVNSCI-AXTSPUMRSA-N 2 0 236.281 1.996 20 0 BDADRP NCC[N@H+](CCc1ccccc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904350524 584868896 /nfs/dbraw/zinc/86/88/96/584868896.db2.gz LFAODXFYAOHXCE-GASCZTMLSA-N 2 0 247.386 1.227 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CNC[C@H]1CCCC[NH2+]1 ZINC000904353632 584870251 /nfs/dbraw/zinc/87/02/51/584870251.db2.gz PLPCBILKQNRRPJ-CHWSQXEVSA-N 2 0 241.423 1.872 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CN[C@@H]1CCC[NH2+]C1 ZINC000904354073 584870297 /nfs/dbraw/zinc/87/02/97/584870297.db2.gz VSSMANMNBUUSFR-VXGBXAGGSA-N 2 0 227.396 1.482 20 0 BDADRP N[C@@H](C[NH2+]C1CC(C[NH3+])C1)c1ccccc1 ZINC000904353601 584870432 /nfs/dbraw/zinc/87/04/32/584870432.db2.gz OJQCHXCGPXWISO-GDKBPFBDSA-N 2 0 219.332 1.013 20 0 BDADRP C[NH2+]CCCNC[C@@H]([NH3+])CCC(C)(C)C ZINC000904354086 584870474 /nfs/dbraw/zinc/87/04/74/584870474.db2.gz WDLKDARFXFELHN-NSHDSACASA-N 2 0 215.385 1.339 20 0 BDADRP C[C@@H]1C[C@H](NC[C@H]([NH3+])CCC(C)(C)C)CC[NH2+]1 ZINC000904355579 584871339 /nfs/dbraw/zinc/87/13/39/584871339.db2.gz PGJOLVOVAWHGRS-JHJVBQTASA-N 2 0 241.423 1.870 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1NC[C@H]([NH3+])CCC(C)(C)C ZINC000904355741 584871465 /nfs/dbraw/zinc/87/14/65/584871465.db2.gz RAKMXRDGJRTCJK-UPJWGTAASA-N 2 0 241.423 1.728 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000904355872 584871486 /nfs/dbraw/zinc/87/14/86/584871486.db2.gz XENPCGVEINLRQC-UONOGXRCSA-N 3 0 233.359 1.362 20 0 BDADRP NC[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)C1CCCC1 ZINC000904359017 584871606 /nfs/dbraw/zinc/87/16/06/584871606.db2.gz WALULMGLSLCLTF-HNNXBMFYSA-N 2 0 247.386 1.752 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+]C[C@@H](O)c2ccsc2)C1 ZINC000904359603 584871616 /nfs/dbraw/zinc/87/16/16/584871616.db2.gz CZZXEOGXIXFZCM-DVVUODLYSA-N 2 0 226.345 1.108 20 0 BDADRP Cc1ccccc1C[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904359537 584871785 /nfs/dbraw/zinc/87/17/85/584871785.db2.gz AHKAAYTVFNLZAB-UHFFFAOYSA-N 2 0 247.386 1.508 20 0 BDADRP COc1ccccc1CC[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904363789 584874251 /nfs/dbraw/zinc/87/42/51/584874251.db2.gz CVTYBCGGDBUUAL-BJHJDKERSA-N 2 0 234.343 1.565 20 0 BDADRP C[C@H](COCC(F)(F)F)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904362967 584874363 /nfs/dbraw/zinc/87/43/63/584874363.db2.gz VNZOJBREPFOWSF-HLTSFMKQSA-N 2 0 240.269 1.281 20 0 BDADRP CC(C)OCCC[NH2+]C1CC(C[NH3+])C1 ZINC000904365109 584874652 /nfs/dbraw/zinc/87/46/52/584874652.db2.gz VZPSUXFSTDGLFV-UHFFFAOYSA-N 2 0 200.326 1.128 20 0 BDADRP CC1(C)CN(C[C@@]2(C)CCC[NH2+]C2)C[C@@H]1[NH3+] ZINC000904388343 584874995 /nfs/dbraw/zinc/87/49/95/584874995.db2.gz HMUPSBCZJKICPD-AAEUAGOBSA-N 2 0 225.380 1.045 20 0 BDADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CC1(F)CC1)CC2 ZINC000904393418 584875697 /nfs/dbraw/zinc/87/56/97/584875697.db2.gz SZBHUKLCOFEXLM-NSHDSACASA-N 2 0 242.338 1.318 20 0 BDADRP C[C@@H](Cc1ccccn1)[NH2+]C1CC(C[NH3+])C1 ZINC000904376073 584876264 /nfs/dbraw/zinc/87/62/64/584876264.db2.gz LPYPTZTVMHCLAF-ZBOXLXRLSA-N 2 0 219.332 1.340 20 0 BDADRP C[C@@H]1CC[C@@H](NC[C@H]([NH3+])CCC(C)(C)C)C[NH2+]1 ZINC000904381700 584877163 /nfs/dbraw/zinc/87/71/63/584877163.db2.gz RUJXPRKNMAEISV-JHJVBQTASA-N 2 0 241.423 1.870 20 0 BDADRP C[C@@H]1CN(C[C@H]([NH3+])CCC(C)(C)C)C[C@H]1C[NH3+] ZINC000904384529 584877207 /nfs/dbraw/zinc/87/72/07/584877207.db2.gz MFBKKNNWGNCEMM-JHJVBQTASA-N 2 0 241.423 1.667 20 0 BDADRP C[C@H]1CC[C@H]([NH2+]C2CCN(CC[NH3+])CC2)C1 ZINC000904386427 584877934 /nfs/dbraw/zinc/87/79/34/584877934.db2.gz ZUWPQQAWSMGLDH-AAEUAGOBSA-N 2 0 225.380 1.188 20 0 BDADRP CC[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H](CC[NH3+])C2)CCO1 ZINC000904406708 584878639 /nfs/dbraw/zinc/87/86/39/584878639.db2.gz UVQAVZKYCACSIF-HZSPNIEDSA-N 2 0 240.391 1.862 20 0 BDADRP CC(C)C[C@H](N)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000904409703 584879214 /nfs/dbraw/zinc/87/92/14/584879214.db2.gz GQOCQHCGJLMQHP-UPJWGTAASA-N 2 0 227.396 1.277 20 0 BDADRP Cc1ccc(O)c(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)n1 ZINC000904412930 584879967 /nfs/dbraw/zinc/87/99/67/584879967.db2.gz ZKDVZUGUQGZCPL-ZYHUDNBSSA-N 2 0 249.358 1.512 20 0 BDADRP C[C@@H](CO)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000815144942 584972814 /nfs/dbraw/zinc/97/28/14/584972814.db2.gz SMEFJXKFHXDXSE-CHWSQXEVSA-N 2 0 226.364 1.033 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CCC(C)(O)CC1 ZINC000817913808 584991407 /nfs/dbraw/zinc/99/14/07/584991407.db2.gz SWADAPKEYKFGFC-ZIHBUVQPSA-N 2 0 240.391 1.658 20 0 BDADRP O[C@@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)C1CC1 ZINC000819278276 585000704 /nfs/dbraw/zinc/00/07/04/585000704.db2.gz NJNUITCUXGHPER-RUXDESIVSA-N 2 0 238.375 1.364 20 0 BDADRP COCC[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000361674980 585025117 /nfs/dbraw/zinc/02/51/17/585025117.db2.gz JBCWAYDKFXECLB-IHRRRGAJSA-N 2 0 240.391 1.828 20 0 BDADRP C[C@@H](CCO)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000840810286 585049313 /nfs/dbraw/zinc/04/93/13/585049313.db2.gz QIVCZJHYZGMNOD-RYUDHWBXSA-N 2 0 214.353 1.079 20 0 BDADRP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@@H](O)C3CC3)C2)C1 ZINC000839026052 585087955 /nfs/dbraw/zinc/08/79/55/585087955.db2.gz RNXXNXFRSPEMBB-KGLIPLIRSA-N 2 0 238.375 1.175 20 0 BDADRP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)C3CC3)C2)C1 ZINC000839026053 585088023 /nfs/dbraw/zinc/08/80/23/585088023.db2.gz RNXXNXFRSPEMBB-UONOGXRCSA-N 2 0 238.375 1.175 20 0 BDADRP CCC[N@H+](C)CC(=O)N[C@H](C[NH+](C)C)C(C)C ZINC000741215600 585111432 /nfs/dbraw/zinc/11/14/32/585111432.db2.gz IWPDQTUUSDJNHN-GFCCVEGCSA-N 2 0 243.395 1.031 20 0 BDADRP Cc1ccccc1[C@@H](O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000741783333 585118483 /nfs/dbraw/zinc/11/84/83/585118483.db2.gz ZOVGMTPETUYDGW-GUTXKFCHSA-N 2 0 246.354 1.180 20 0 BDADRP Cc1ccc([C@@H](O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000743262287 585134574 /nfs/dbraw/zinc/13/45/74/585134574.db2.gz SUVLCVZUEHXTMO-ZNMIVQPWSA-N 2 0 246.354 1.180 20 0 BDADRP C[NH+](C)C1CC[NH+](CCCCCCCO)CC1 ZINC000743840290 585140201 /nfs/dbraw/zinc/14/02/01/585140201.db2.gz HIWPBHIXJYFKOA-UHFFFAOYSA-N 2 0 242.407 1.955 20 0 BDADRP C[C@H]1CN(CC[C@@H]2CCCC[N@@H+]2C)CC[NH+]1C ZINC000761079505 585406761 /nfs/dbraw/zinc/40/67/61/585406761.db2.gz ZXMDERBLMWPIFG-KBPBESRZSA-N 2 0 239.407 1.497 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H]2C[C@H]21 ZINC000761088070 585407732 /nfs/dbraw/zinc/40/77/32/585407732.db2.gz QAKDCBDRWMCDML-YNEHKIRRSA-N 2 0 208.349 1.955 20 0 BDADRP C[C@@H](CCO)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000779343364 585752065 /nfs/dbraw/zinc/75/20/65/585752065.db2.gz XGYDQHYVDNQNKY-KGLIPLIRSA-N 2 0 242.407 1.859 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CCO)C1 ZINC000779393282 585753147 /nfs/dbraw/zinc/75/31/47/585753147.db2.gz RCYUWICCVGJMTL-NWDGAFQWSA-N 2 0 214.353 1.079 20 0 BDADRP C[C@@H](CCO)[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000779413867 585753341 /nfs/dbraw/zinc/75/33/41/585753341.db2.gz XGDGZWVQWUZHSK-HIFPTAJRSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@@H]1CN(CCC[NH+]2CCCCC2)CC[N@@H+]1C ZINC000781904154 585805269 /nfs/dbraw/zinc/80/52/69/585805269.db2.gz NKFGVGXLLAVBFG-CQSZACIVSA-N 2 0 239.407 1.498 20 0 BDADRP C[C@@H]1CC[C@H]1[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000783240772 585831999 /nfs/dbraw/zinc/83/19/99/585831999.db2.gz QPLWXLZKIJGBBG-HZSPNIEDSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CC[C@@H]1C ZINC000783295412 585833212 /nfs/dbraw/zinc/83/32/12/585833212.db2.gz VAXIMHHWCLHVMM-MJBXVCDLSA-N 2 0 239.407 1.401 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC=CO2)[C@H](C)C1 ZINC000783308807 585833462 /nfs/dbraw/zinc/83/34/62/585833462.db2.gz FTMBDHXIHBTXIO-RDBSUJKOSA-N 2 0 238.375 1.999 20 0 BDADRP CC[C@H](O)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000799308960 586169201 /nfs/dbraw/zinc/16/92/01/586169201.db2.gz HMNYCHOQBYGULE-AGIUHOORSA-N 2 0 228.380 1.419 20 0 BDADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCCCCO)C2)C1 ZINC000815144474 586669723 /nfs/dbraw/zinc/66/97/23/586669723.db2.gz DLFLIIXGWUBLQV-CQSZACIVSA-N 2 0 240.391 1.567 20 0 BDADRP C[C@@H](NCC[N@@H+]1CCC[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000817912361 586831390 /nfs/dbraw/zinc/83/13/90/586831390.db2.gz GJFOLGAYJMAQTG-XQQFMLRXSA-N 2 0 225.380 1.201 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCSC(F)(F)F ZINC000817889508 586831784 /nfs/dbraw/zinc/83/17/84/586831784.db2.gz OIHFBVKVVADBAG-BQBZGAKWSA-N 2 0 228.283 1.709 20 0 BDADRP Cc1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000817892207 586832846 /nfs/dbraw/zinc/83/28/46/586832846.db2.gz KHCJXEGVNGCJLB-RBSFLKMASA-N 2 0 248.370 1.745 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](O)c1ccccc1 ZINC000817894323 586834065 /nfs/dbraw/zinc/83/40/65/586834065.db2.gz LLAKNQKJQUSKQS-GVXVVHGQSA-N 2 0 222.332 1.435 20 0 BDADRP Cc1ncc2c(n1)CCC[C@@H]2[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000817894759 586834125 /nfs/dbraw/zinc/83/41/25/586834125.db2.gz OARNFQDCTHIGMK-BREBYQMCSA-N 2 0 248.374 1.878 20 0 BDADRP CC(C)C[C@H](O)C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000817904122 586837047 /nfs/dbraw/zinc/83/70/47/586837047.db2.gz UZBGNCXUQDINIC-AGIUHOORSA-N 2 0 228.380 1.371 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)Cc1ccco1 ZINC000817913853 586838946 /nfs/dbraw/zinc/83/89/46/586838946.db2.gz NGIDLANOKYUCIU-DCAQKATOSA-N 2 0 210.321 1.926 20 0 BDADRP CC[C@H]([NH2+]CCC1(C)OCCO1)[C@@H]1CCC[NH2+]1 ZINC000817922454 586840286 /nfs/dbraw/zinc/84/02/86/586840286.db2.gz GPGVEBCTKPVLHU-RYUDHWBXSA-N 2 0 242.363 1.260 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCC=CO1 ZINC000817924867 586841678 /nfs/dbraw/zinc/84/16/78/586841678.db2.gz ZPQOUIAKIIOGDZ-AGIUHOORSA-N 2 0 224.348 1.657 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@@H](CCO)Cc1ccccc1 ZINC000817928776 586842443 /nfs/dbraw/zinc/84/24/43/586842443.db2.gz AKGPHPYGDIYURG-ZNMIVQPWSA-N 2 0 248.370 1.450 20 0 BDADRP Cc1ccc2c(c1)CC[C@@H]2[NH2+]CC1C[NH2+]C1 ZINC000817965385 586854364 /nfs/dbraw/zinc/85/43/64/586854364.db2.gz PVLPDMPCMORBCB-AWEZNQCLSA-N 2 0 216.328 1.791 20 0 BDADRP c1[nH]nc2c1[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)CCC2 ZINC000817969579 586856099 /nfs/dbraw/zinc/85/60/99/586856099.db2.gz XNONIJHGGMOTCW-ZYHUDNBSSA-N 2 0 234.347 1.519 20 0 BDADRP c1[nH]nc2c1[C@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)CCC2 ZINC000817976622 586860243 /nfs/dbraw/zinc/86/02/43/586860243.db2.gz PSLIIIXYFOOALX-DGCLKSJQSA-N 2 0 246.358 1.519 20 0 BDADRP Cc1cc([C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])n(C)n1 ZINC000817976953 586860378 /nfs/dbraw/zinc/86/03/78/586860378.db2.gz XOKRQPHMZDZDJD-CMPLNLGQSA-N 2 0 238.379 1.897 20 0 BDADRP Cc1cc([C@H](C)[NH2+]CCC2=CC[NH2+]CC2)n(C)n1 ZINC000817985333 586862397 /nfs/dbraw/zinc/86/23/97/586862397.db2.gz JBANJQLXBLAEEW-LBPRGKRZSA-N 2 0 248.374 1.689 20 0 BDADRP C[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000820807264 587073333 /nfs/dbraw/zinc/07/33/33/587073333.db2.gz DSJCUEFTXVOCQU-KVAMGIGCSA-N 2 0 224.348 1.115 20 0 BDADRP C[C@H](CCO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000820810951 587073912 /nfs/dbraw/zinc/07/39/12/587073912.db2.gz HZMATWWWJJSNNX-WDFAYWTNSA-N 2 0 238.375 1.505 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)CO)c1cccc(C[NH+](C)C)c1 ZINC000820812300 587074289 /nfs/dbraw/zinc/07/42/89/587074289.db2.gz HZVXFQOGAMPGCW-NWDGAFQWSA-N 2 0 236.359 1.780 20 0 BDADRP OC[C@H]([C@H]([NH2+]Cc1cnc[nH]1)C1CC1)C1CC1 ZINC000831653803 587626409 /nfs/dbraw/zinc/62/64/09/587626409.db2.gz ABZRLRJUNZPAIE-QWHCGFSZSA-N 2 0 235.331 1.296 20 0 BDADRP CCCCCC[N@H+](C)CC(=O)N[C@@H](C)CC[NH3+] ZINC000834452689 587755481 /nfs/dbraw/zinc/75/54/81/587755481.db2.gz JQSLHBTUPNZDEA-LBPRGKRZSA-N 2 0 243.395 1.352 20 0 BDADRP C[C@H]1C[C@@H](NC(=O)CCCCCC[NH3+])CC[NH2+]1 ZINC000834672420 587763470 /nfs/dbraw/zinc/76/34/70/587763470.db2.gz CILSEYCWOVWBPE-RYUDHWBXSA-N 2 0 241.379 1.152 20 0 BDADRP [NH3+]CCCCCCC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000834860872 587768764 /nfs/dbraw/zinc/76/87/64/587768764.db2.gz FEXGMJIKBMZPJY-NWDGAFQWSA-N 2 0 241.379 1.139 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@@H](C(F)F)C2)CC[NH2+]1 ZINC000841021716 587935350 /nfs/dbraw/zinc/93/53/50/587935350.db2.gz FFOZRNXJMBERIT-OUAUKWLOSA-N 2 0 248.317 1.340 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@H](C(F)F)C2)CC[NH2+]1 ZINC000841021715 587935673 /nfs/dbraw/zinc/93/56/73/587935673.db2.gz FFOZRNXJMBERIT-MXWKQRLJSA-N 2 0 248.317 1.340 20 0 BDADRP CCCCC[C@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000841030043 587936846 /nfs/dbraw/zinc/93/68/46/587936846.db2.gz QRFPMYWCBCZCSX-AWEZNQCLSA-N 2 0 241.423 1.840 20 0 BDADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000841076939 587944197 /nfs/dbraw/zinc/94/41/97/587944197.db2.gz UHOASAODHHDFAJ-FBDQPXRJSA-N 2 0 246.445 1.691 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCSC1 ZINC000841073958 587944475 /nfs/dbraw/zinc/94/44/75/587944475.db2.gz BHJZPYPHUJGPBV-TZMBILIQSA-N 2 0 226.389 1.597 20 0 BDADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cccnc2Cl)C1 ZINC000841084440 587945745 /nfs/dbraw/zinc/94/57/45/587945745.db2.gz JKMHMTKHZBBIIL-ONGXEEELSA-N 2 0 239.750 1.952 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1cccc(C[NH3+])c1 ZINC000841850281 587977730 /nfs/dbraw/zinc/97/77/30/587977730.db2.gz JMVSIHFVCUJXGC-GWCFXTLKSA-N 2 0 247.342 1.016 20 0 BDADRP COC(=O)[C@@H]1CCC[N@@H+]1CCCCCCC[NH3+] ZINC000842476012 588029570 /nfs/dbraw/zinc/02/95/70/588029570.db2.gz DKEPQYFNUIKSPF-LBPRGKRZSA-N 2 0 242.363 1.533 20 0 BDADRP C[C@@H]1CC[N@H+](CCCCCCC[NH3+])C[C@H]1C[NH3+] ZINC000842478548 588029869 /nfs/dbraw/zinc/02/98/69/588029869.db2.gz KQBOTJMBYJYMGJ-ZIAGYGMSSA-N 3 0 241.423 1.812 20 0 BDADRP C[NH2+][C@@H](C)Cc1noc(CCCCCC[NH3+])n1 ZINC000842623624 588045903 /nfs/dbraw/zinc/04/59/03/588045903.db2.gz WPMGGMQEQCTRLV-JTQLQIEISA-N 2 0 240.351 1.282 20 0 BDADRP Nc1ccc(C[NH2+]C2CCC([NH3+])CC2)cn1 ZINC000843104221 588079614 /nfs/dbraw/zinc/07/96/14/588079614.db2.gz HZTVTUPNAFURKD-UHFFFAOYSA-N 2 0 220.320 1.023 20 0 BDADRP [NH3+]CCCCCC[NH2+]C[C@@H]1CCCOC1 ZINC000843126091 588084143 /nfs/dbraw/zinc/08/41/43/588084143.db2.gz AMTPYRJCVKBZLT-LBPRGKRZSA-N 2 0 214.353 1.522 20 0 BDADRP C[C@@]1(C[NH2+]Cc2ccc(CC[NH3+])cc2)CC[NH2+]C1 ZINC000843125759 588084635 /nfs/dbraw/zinc/08/46/35/588084635.db2.gz HJSKBKVANOLASX-OAHLLOKOSA-N 3 0 247.386 1.277 20 0 BDADRP C[C@H]1C[NH2+]C[C@@H](NCc2ccc(CC[NH3+])cc2)C1 ZINC000843125576 588084712 /nfs/dbraw/zinc/08/47/12/588084712.db2.gz CTEYINSSGPSAJK-DOMZBBRYSA-N 2 0 247.386 1.275 20 0 BDADRP CC[C@@H]([NH2+]CCCCCC[NH3+])c1nccn1C ZINC000843340368 588101158 /nfs/dbraw/zinc/10/11/58/588101158.db2.gz BOQYXYCCMCWUHY-GFCCVEGCSA-N 2 0 238.379 1.980 20 0 BDADRP CCc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)[nH]n1 ZINC000843342208 588101225 /nfs/dbraw/zinc/10/12/25/588101225.db2.gz KSGRMPYULRPMII-DMDPSCGWSA-N 2 0 248.374 1.450 20 0 BDADRP [NH3+]CCCCCC[NH2+]C1CCC(O)CC1 ZINC000843343270 588101316 /nfs/dbraw/zinc/10/13/16/588101316.db2.gz YPVKYHHNGLIWBD-UHFFFAOYSA-N 2 0 214.353 1.399 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCCCCC[NH3+])CC[N@@H+]1C ZINC000843342418 588101531 /nfs/dbraw/zinc/10/15/31/588101531.db2.gz QLAILXKWLCADKH-STQMWFEESA-N 3 0 227.396 1.578 20 0 BDADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CCCCCC[NH3+] ZINC000843342741 588101590 /nfs/dbraw/zinc/10/15/90/588101590.db2.gz SXJHKCDSLTULLC-TZMCWYRMSA-N 2 0 239.407 1.578 20 0 BDADRP CCCCOC(=O)CC[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000843347218 588101836 /nfs/dbraw/zinc/10/18/36/588101836.db2.gz GBWLYUBBNZPEAI-GFCCVEGCSA-N 2 0 242.363 1.391 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCCCCC[NH3+] ZINC000843344309 588101940 /nfs/dbraw/zinc/10/19/40/588101940.db2.gz VCWUSZXJDJFULE-MNOVXSKESA-N 3 0 201.358 1.221 20 0 BDADRP [NH3+]CCCCCCC[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000843347736 588102254 /nfs/dbraw/zinc/10/22/54/588102254.db2.gz JLNQMVVHGPYDDX-CYBMUJFWSA-N 3 0 227.396 1.566 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](CCCCCCC[NH3+])CC1 ZINC000843348810 588102585 /nfs/dbraw/zinc/10/25/85/588102585.db2.gz QFERTLFLTNEFNY-CYBMUJFWSA-N 3 0 241.423 1.955 20 0 BDADRP NC[C@@H]1CCCC[N@@H+]1CCCCCCC[NH3+] ZINC000843348149 588102670 /nfs/dbraw/zinc/10/26/70/588102670.db2.gz YUNNIRJAAJVTDK-ZDUSSCGKSA-N 2 0 227.396 1.709 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCCCCCC[NH3+] ZINC000843362306 588104467 /nfs/dbraw/zinc/10/44/67/588104467.db2.gz CMDHCJPXVIAIHC-OLZOCXBDSA-N 3 0 227.396 1.565 20 0 BDADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCCCCCC[NH3+] ZINC000843362308 588104511 /nfs/dbraw/zinc/10/45/11/588104511.db2.gz CMDHCJPXVIAIHC-STQMWFEESA-N 3 0 227.396 1.565 20 0 BDADRP C[C@H]1NCC[N@H+](CCCCCCC[NH3+])[C@H]1C ZINC000843377345 588105187 /nfs/dbraw/zinc/10/51/87/588105187.db2.gz OSXIPHSCSFIINF-OLZOCXBDSA-N 2 0 227.396 1.578 20 0 BDADRP CCCOC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000843378371 588105505 /nfs/dbraw/zinc/10/55/05/588105505.db2.gz SGMHQGCQOXWDDT-NEPJUHHUSA-N 2 0 242.363 1.389 20 0 BDADRP CCCOC(=O)[C@H](C)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000843378372 588105726 /nfs/dbraw/zinc/10/57/26/588105726.db2.gz SGMHQGCQOXWDDT-NWDGAFQWSA-N 2 0 242.363 1.389 20 0 BDADRP CCC[NH2+][C@@H](C)C(=O)NCCCCCC[NH3+] ZINC000843512753 588118077 /nfs/dbraw/zinc/11/80/77/588118077.db2.gz PIRBUUIKVZWAOR-NSHDSACASA-N 2 0 229.368 1.010 20 0 BDADRP CC(C)[C@@H]([NH3+])c1noc(C[C@H](C)n2ccnc2)n1 ZINC000844906660 588218841 /nfs/dbraw/zinc/21/88/41/588218841.db2.gz RMNZFMXCPMFOIY-GXSJLCMTSA-N 2 0 249.318 1.726 20 0 BDADRP COC[C@@H]1C[N@H+](CCCCCC[NH3+])C[C@@H](C)O1 ZINC000846221377 588261012 /nfs/dbraw/zinc/26/10/12/588261012.db2.gz XYJKQAHLMLNVLG-OLZOCXBDSA-N 2 0 244.379 1.241 20 0 BDADRP C[N@H+](CCOCC[NH3+])[C@H]1C[C@@H]1c1ccccc1 ZINC000846221341 588261096 /nfs/dbraw/zinc/26/10/96/588261096.db2.gz BZTNIGZXNAUHPD-KGLIPLIRSA-N 2 0 234.343 1.450 20 0 BDADRP C[C@@H]1[C@H](C)NCC[N@@H+]1CCCCCC[NH3+] ZINC000846220452 588261234 /nfs/dbraw/zinc/26/12/34/588261234.db2.gz PYIVQZVEUCTEKP-NWDGAFQWSA-N 2 0 213.369 1.188 20 0 BDADRP Cl/C=C/CN1CCC2(CC[NH2+]2)CC1 ZINC000846223741 588261617 /nfs/dbraw/zinc/26/16/17/588261617.db2.gz NELBQXRVSGJNFF-ORCRQEGFSA-N 2 0 200.713 1.567 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCCCCCC[NH3+] ZINC000846706855 588283916 /nfs/dbraw/zinc/28/39/16/588283916.db2.gz BPGKIPRMXVCUQM-OLZOCXBDSA-N 3 0 227.396 1.707 20 0 BDADRP Cc1ccc([C@H](O)C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000848717269 588407793 /nfs/dbraw/zinc/40/77/93/588407793.db2.gz PUTRIVXEOOFGNB-SOUVJXGZSA-N 2 0 248.370 1.888 20 0 BDADRP [NH3+]CCOc1ccc(N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000848714503 588407865 /nfs/dbraw/zinc/40/78/65/588407865.db2.gz CMHQHVZPXHXOCR-YPMHNXCESA-N 2 0 249.358 1.706 20 0 BDADRP CCCCNC(=[NH2+])NCCC[NH+]1CCCCC1 ZINC000848982560 588423893 /nfs/dbraw/zinc/42/38/93/588423893.db2.gz AXITVHHBOHFPRX-UHFFFAOYSA-N 2 0 240.395 1.776 20 0 BDADRP CCC(CC)[C@H](CNC(=[NH2+])NC)[NH+]1CCCC1 ZINC000848984068 588424929 /nfs/dbraw/zinc/42/49/29/588424929.db2.gz KAWWTSHKUSQBAK-LBPRGKRZSA-N 2 0 240.395 1.631 20 0 BDADRP CC[C@H](CNC(=[NH2+])NC1CCC1)[NH+]1CCCC1 ZINC000848986327 588425612 /nfs/dbraw/zinc/42/56/12/588425612.db2.gz CLILDKALPYAPNL-GFCCVEGCSA-N 2 0 238.379 1.527 20 0 BDADRP CCCNC(=[NH2+])NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000848987009 588425621 /nfs/dbraw/zinc/42/56/21/588425621.db2.gz DOKVTPDBIKHSSY-VXGBXAGGSA-N 2 0 240.395 1.773 20 0 BDADRP CC1CC[NH+](CCNC(=[NH2+])NC2CCC2)CC1 ZINC000848987674 588425989 /nfs/dbraw/zinc/42/59/89/588425989.db2.gz OVYMXPKABVOROH-UHFFFAOYSA-N 2 0 238.379 1.385 20 0 BDADRP C[C@@H]1CCCC[N@@H+]1CCNC(=[NH2+])NC1CCC1 ZINC000848987724 588426178 /nfs/dbraw/zinc/42/61/78/588426178.db2.gz VMDGULMDNCGFHG-LLVKDONJSA-N 2 0 238.379 1.527 20 0 BDADRP CC(C)CCNC(=[NH2+])NCCC[N@H+](C)C(C)C ZINC000848987532 588426244 /nfs/dbraw/zinc/42/62/44/588426244.db2.gz DFQULBLWQIXOHW-UHFFFAOYSA-N 2 0 242.411 1.877 20 0 BDADRP CC(C)CCNC(=[NH2+])NCCNc1cc[nH+]cc1 ZINC000848995431 588428788 /nfs/dbraw/zinc/42/87/88/588428788.db2.gz WQUCZIYOAJJTMO-UHFFFAOYSA-N 2 0 249.362 1.075 20 0 BDADRP CCN(CC)C(=[NH2+])NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000848996267 588428950 /nfs/dbraw/zinc/42/89/50/588428950.db2.gz NJRPERSDLNYSKQ-LBPRGKRZSA-N 2 0 240.395 1.583 20 0 BDADRP CC[C@H](C)NC(=[NH2+])NC[C@H](C)[N@H+](C)C1CC1 ZINC000849001603 588430819 /nfs/dbraw/zinc/43/08/19/588430819.db2.gz HRIJNOJJMROISW-UWVGGRQHSA-N 2 0 226.368 1.382 20 0 BDADRP CC(C)NC(=[NH2+])NCC[C@@H](C)[NH+]1CCCCC1 ZINC000849018322 588437724 /nfs/dbraw/zinc/43/77/24/588437724.db2.gz JQEKVEZCKPDTOE-GFCCVEGCSA-N 2 0 240.395 1.773 20 0 BDADRP CC(C)NC(=[NH2+])NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000849024275 588439743 /nfs/dbraw/zinc/43/97/43/588439743.db2.gz TUMXVSFVTZAIHJ-LLVKDONJSA-N 2 0 240.395 1.629 20 0 BDADRP CCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H](C)CC ZINC000849028045 588441285 /nfs/dbraw/zinc/44/12/85/588441285.db2.gz YYLJZIIASKMSLO-RYUDHWBXSA-N 2 0 240.395 1.773 20 0 BDADRP CCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N(CC)CC ZINC000849027885 588441623 /nfs/dbraw/zinc/44/16/23/588441623.db2.gz OIFZUMQJBGQCKH-LBPRGKRZSA-N 2 0 240.395 1.727 20 0 BDADRP CC(C)NC(=[NH2+])NCCCCC[NH+]1CCCC1 ZINC000849033450 588444037 /nfs/dbraw/zinc/44/40/37/588444037.db2.gz LELSPPOXCITHIC-UHFFFAOYSA-N 2 0 240.395 1.775 20 0 BDADRP CCCCNC(=[NH2+])NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000849048653 588451024 /nfs/dbraw/zinc/45/10/24/588451024.db2.gz FRKKAKVKGMSNAS-PHIMTYICSA-N 2 0 226.368 1.241 20 0 BDADRP C[N@H+](CCOC(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC000851782027 588628068 /nfs/dbraw/zinc/62/80/68/588628068.db2.gz KAFAEKPNYTUPKV-SNVBAGLBSA-N 2 0 236.306 1.499 20 0 BDADRP COC(CC[N@H+](C)CCC[NH+]1CCCC1)OC ZINC000852008440 588654859 /nfs/dbraw/zinc/65/48/59/588654859.db2.gz VLECKEAFDIAWCT-UHFFFAOYSA-N 2 0 244.379 1.413 20 0 BDADRP FC(F)OCC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000852750175 588699948 /nfs/dbraw/zinc/69/99/48/588699948.db2.gz XJDCTDSLOYMHNQ-WDEREUQCSA-N 2 0 248.317 1.547 20 0 BDADRP C[C@@]12COC[C@@H]1C[N@H+](CCCCCCC[NH3+])C2 ZINC000852758926 588700769 /nfs/dbraw/zinc/70/07/69/588700769.db2.gz HKJBMLRHOZTAMP-UONOGXRCSA-N 2 0 240.391 1.864 20 0 BDADRP C[C@@]1(C(N)=O)CC[N@H+](CCCCCCC[NH3+])C1 ZINC000852760867 588701049 /nfs/dbraw/zinc/70/10/49/588701049.db2.gz NTACJNXOQCBHGU-CYBMUJFWSA-N 2 0 241.379 1.093 20 0 BDADRP CC1(C[NH2+][C@@H]2CC[NH2+]C23CCC3)CCOCC1 ZINC000863483265 589292524 /nfs/dbraw/zinc/29/25/24/589292524.db2.gz TYSZXLHFOQIRCJ-GFCCVEGCSA-N 2 0 238.375 1.677 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)CCO1 ZINC000863483743 589293106 /nfs/dbraw/zinc/29/31/06/589293106.db2.gz ZRVVHVGFZLQSAX-AGIUHOORSA-N 2 0 238.375 1.676 20 0 BDADRP CC[C@H]1C[C@@H](C[NH2+][C@@H]2CC[NH2+]C2)CCO1 ZINC000863489374 589293648 /nfs/dbraw/zinc/29/36/48/589293648.db2.gz YIGZYLQZMDPUTK-TUAOUCFPSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H]([NH3+])CN(C)CCO[C@H]1CCCC[C@H]1C ZINC000863568188 589299928 /nfs/dbraw/zinc/29/99/28/589299928.db2.gz IKGUNWDHMVTCLC-AGIUHOORSA-N 2 0 228.380 1.861 20 0 BDADRP C[C@H]([NH3+])CN(C)Cc1ccccc1N(C)C ZINC000863567604 589300240 /nfs/dbraw/zinc/30/02/40/589300240.db2.gz FWLUFAQSYWRYKZ-NSHDSACASA-N 2 0 221.348 1.532 20 0 BDADRP Cc1nnc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)s1 ZINC000864050889 589335401 /nfs/dbraw/zinc/33/54/01/589335401.db2.gz UMIWQVZONXHSJZ-AOOOYVTPSA-N 2 0 240.376 1.276 20 0 BDADRP CC[NH+](CC)CCCNC(=[NH2+])N[C@H]1C[C@H]1C ZINC000864451542 589365278 /nfs/dbraw/zinc/36/52/78/589365278.db2.gz HLXNGOSGEJQVLR-MNOVXSKESA-N 2 0 226.368 1.241 20 0 BDADRP C[C@H](CNC(=[NH2+])N[C@H]1C[C@H]1C)C[NH+]1CCCC1 ZINC000864454667 589366182 /nfs/dbraw/zinc/36/61/82/589366182.db2.gz RGYQNMUTSFAKJW-UTUOFQBUSA-N 2 0 238.379 1.241 20 0 BDADRP C[C@@H]1C[C@H]1NC(=[NH2+])NCC[N@H+](C)C1CCCC1 ZINC000864457601 589368091 /nfs/dbraw/zinc/36/80/91/589368091.db2.gz FJVCDPYYTPJMNF-ZYHUDNBSSA-N 2 0 238.379 1.383 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@@H]1C ZINC000864458615 589368326 /nfs/dbraw/zinc/36/83/26/589368326.db2.gz OYADDJQYEUKRKY-TUAOUCFPSA-N 2 0 238.379 1.383 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@@H]1C ZINC000864458614 589368519 /nfs/dbraw/zinc/36/85/19/589368519.db2.gz OYADDJQYEUKRKY-QJPTWQEYSA-N 2 0 238.379 1.383 20 0 BDADRP CCCC[N@H+](C)CCNC(=[NH2+])N[C@H]1C[C@@H]1C ZINC000864459037 589368562 /nfs/dbraw/zinc/36/85/62/589368562.db2.gz YQKKUTWCVPOOCY-QWRGUYRKSA-N 2 0 226.368 1.241 20 0 BDADRP C[N@H+]1CC=C(CNC(=[NH2+])NCCC2CC2)CC1 ZINC000864462639 589369741 /nfs/dbraw/zinc/36/97/41/589369741.db2.gz OFAQTBSUPLOHQD-UHFFFAOYSA-N 2 0 236.363 1.162 20 0 BDADRP C[C@H]1C[C@H]1NC(=[NH2+])NCC[N@@H+]1CCCC1(C)C ZINC000864465677 589371098 /nfs/dbraw/zinc/37/10/98/589371098.db2.gz BLBTWITYUYJNLT-WDEREUQCSA-N 2 0 238.379 1.383 20 0 BDADRP C[C@H]1C[C@@H]1NC(=[NH2+])NCc1ccc2c[nH+]cn2c1 ZINC000864467476 589371801 /nfs/dbraw/zinc/37/18/01/589371801.db2.gz XTMKQGZWJIKOFG-CABZTGNLSA-N 2 0 243.314 1.357 20 0 BDADRP C[C@H]1OCC[C@H]1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000866660014 589508162 /nfs/dbraw/zinc/50/81/62/589508162.db2.gz AOTRWORYKVBFQC-IALDZJHCSA-N 2 0 226.364 1.613 20 0 BDADRP [NH3+][C@]12CCC[C@H]1C[N@H+](CCCC1CC1)C2 ZINC000866668686 589509990 /nfs/dbraw/zinc/50/99/90/589509990.db2.gz ICXIQMNESWLGRH-STQMWFEESA-N 2 0 208.349 1.990 20 0 BDADRP CCCCOC(=O)CC[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000866671921 589510694 /nfs/dbraw/zinc/51/06/94/589510694.db2.gz CLGIQVQUSCJFDX-VXGBXAGGSA-N 2 0 242.363 1.246 20 0 BDADRP N[C@H]1CCCCC[N@H+](CCCCCC[NH3+])C1 ZINC000866671044 589510807 /nfs/dbraw/zinc/51/08/07/589510807.db2.gz JKNHGWLNUFDUGW-ZDUSSCGKSA-N 2 0 227.396 1.709 20 0 BDADRP CCO[C@H](C[N@@H+]1CC[NH2+]CCC1(C)C)C1CC1 ZINC000866697395 589512700 /nfs/dbraw/zinc/51/27/00/589512700.db2.gz OLRZJCXPYVRLME-CYBMUJFWSA-N 2 0 240.391 1.875 20 0 BDADRP CC1(C)[C@H]([NH3+])c2ccccc2N1C[C@H]1CC[NH2+]C1 ZINC000866701362 589513247 /nfs/dbraw/zinc/51/32/47/589513247.db2.gz OPFGMHWKTTVPBH-SMDDNHRTSA-N 2 0 245.370 1.895 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000866703735 589513293 /nfs/dbraw/zinc/51/32/93/589513293.db2.gz LFCVMIWKKPDVMS-UPJWGTAASA-N 2 0 240.416 1.671 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000866703733 589513593 /nfs/dbraw/zinc/51/35/93/589513593.db2.gz LFCVMIWKKPDVMS-FRRDWIJNSA-N 2 0 240.416 1.671 20 0 BDADRP [NH3+]CCCCCCN1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000866717331 589514772 /nfs/dbraw/zinc/51/47/72/589514772.db2.gz BSALKOCBYVYZDK-ZIAGYGMSSA-N 2 0 239.407 1.579 20 0 BDADRP C[N@@H+]1CC[C@@H]2CN(C[C@H]3CCC[NH2+]C3)CC[C@H]21 ZINC000866704827 589514834 /nfs/dbraw/zinc/51/48/34/589514834.db2.gz YDWNLQJVDPRDTA-BFHYXJOUSA-N 2 0 237.391 1.012 20 0 BDADRP [NH3+]CCCCCCN1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866725302 589516215 /nfs/dbraw/zinc/51/62/15/589516215.db2.gz RWQXDGSBXRVNSL-OLZOCXBDSA-N 2 0 225.380 1.332 20 0 BDADRP OCCC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CC[NH2+]C1 ZINC000866727579 589516895 /nfs/dbraw/zinc/51/68/95/589516895.db2.gz OWXGKDHIQNNKDY-PBNFFQIGSA-N 2 0 238.375 1.221 20 0 BDADRP C[C@H](C[NH3+])C(=O)N1c2ccccc2[C@@H]([NH3+])C1(C)C ZINC000867988464 589542549 /nfs/dbraw/zinc/54/25/49/589542549.db2.gz MHHMONQKUBNLRX-BXKDBHETSA-N 2 0 247.342 1.406 20 0 BDADRP C[C@@H]1CC([NH2+]CC2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000123021013 589652705 /nfs/dbraw/zinc/65/27/05/589652705.db2.gz ZKQOPBTYHJBTLS-VXGBXAGGSA-N 2 0 240.391 1.874 20 0 BDADRP [NH3+]Cc1cccc(NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)c1 ZINC000870933814 589698052 /nfs/dbraw/zinc/69/80/52/589698052.db2.gz XUPPARWCELFDCW-TXEJJXNPSA-N 2 0 247.342 1.601 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000871788325 589818743 /nfs/dbraw/zinc/81/87/43/589818743.db2.gz MLKCXQBWZYUYFF-HRDYMLBCSA-N 2 0 236.319 1.335 20 0 BDADRP C1C[C@H](c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)[NH2+]1 ZINC000871796598 589819984 /nfs/dbraw/zinc/81/99/84/589819984.db2.gz AWCHTRRXXAMCJA-FWKUWYBHSA-N 2 0 234.303 1.102 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@H]1CC2(CCC2)CO1 ZINC000872144629 589883782 /nfs/dbraw/zinc/88/37/82/589883782.db2.gz IBNBVIFDDNVNRW-JHJVBQTASA-N 2 0 238.375 1.757 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CC3(CCC3)CO2)C[C@H]1C[NH3+] ZINC000872145581 589884252 /nfs/dbraw/zinc/88/42/52/589884252.db2.gz UTNRMSAUQWWAJN-UPJWGTAASA-N 2 0 238.375 1.472 20 0 BDADRP CC1(C)CO[C@H](C[NH2+][C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000872144479 589884379 /nfs/dbraw/zinc/88/43/79/589884379.db2.gz GDZQRYFBYXTKCO-QJPTWQEYSA-N 2 0 226.364 1.661 20 0 BDADRP Cc1conc1C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000872145575 589884477 /nfs/dbraw/zinc/88/44/77/589884477.db2.gz UDNGSBQOGIRBLT-GFCCVEGCSA-N 2 0 249.358 1.947 20 0 BDADRP [NH3+]CCC[N@@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000872146142 589884626 /nfs/dbraw/zinc/88/46/26/589884626.db2.gz GSHQRXRVIZVESI-ZDUSSCGKSA-N 2 0 238.306 1.628 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2CCOC2)C1 ZINC000872252578 589900453 /nfs/dbraw/zinc/90/04/53/589900453.db2.gz ULYAYLQYVCPQIU-QWRGUYRKSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H](CNc1cc[nH+]cc1C1CC1)[NH+](C)C ZINC000872424374 589938378 /nfs/dbraw/zinc/93/83/78/589938378.db2.gz FZCCEPFXBVRFBB-SNVBAGLBSA-N 2 0 219.332 1.743 20 0 BDADRP CC[C@H]([NH3+])CNCc1cc2c(s1)CC[NH2+]C2 ZINC000873212162 589996679 /nfs/dbraw/zinc/99/66/79/589996679.db2.gz IWRPARWEMQEEAI-JTQLQIEISA-N 2 0 239.388 1.221 20 0 BDADRP [NH3+]CCC[NH2+]C1([C@H]2CCCCO2)CCC1 ZINC000873224642 590001120 /nfs/dbraw/zinc/00/11/20/590001120.db2.gz DLPTWYFAZWJUAL-LLVKDONJSA-N 2 0 212.337 1.417 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000873248888 590006738 /nfs/dbraw/zinc/00/67/38/590006738.db2.gz GKZVLXXSHXNQHM-JIMOISOXSA-N 2 0 208.349 1.892 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000873246354 590006953 /nfs/dbraw/zinc/00/69/53/590006953.db2.gz YHCBCPKTRRLLQB-NWDGAFQWSA-N 3 0 227.396 1.482 20 0 BDADRP Cc1cncc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000873250206 590007233 /nfs/dbraw/zinc/00/72/33/590007233.db2.gz FLLFDHFODMMLDN-GMXVVIOVSA-N 2 0 219.332 1.778 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCCc3cccnc32)C1 ZINC000873248644 590007455 /nfs/dbraw/zinc/00/74/55/590007455.db2.gz CSNYUPLRTWPUNS-KGYLQXTDSA-N 2 0 231.343 1.786 20 0 BDADRP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C1(C)C ZINC000873249502 590007489 /nfs/dbraw/zinc/00/74/89/590007489.db2.gz APLMUJZWUFOGIX-QNWHQSFQSA-N 2 0 240.391 1.905 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccncc1 ZINC000873250215 590007818 /nfs/dbraw/zinc/00/78/18/590007818.db2.gz FPGYCIMPDICIRE-JBLDHEPKSA-N 2 0 205.305 1.470 20 0 BDADRP COc1cccc(C[C@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)n1 ZINC000873252151 590009102 /nfs/dbraw/zinc/00/91/02/590009102.db2.gz PTBBHKKYOVXRNE-SDDRHHMPSA-N 2 0 249.358 1.348 20 0 BDADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCCCC1CC1 ZINC000873253554 590009350 /nfs/dbraw/zinc/00/93/50/590009350.db2.gz ZBBFMLKVBNNHGB-YUTCNCBUSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)C1CCOCC1 ZINC000873254358 590010462 /nfs/dbraw/zinc/01/04/62/590010462.db2.gz RKFWAGYCORYPGJ-JBLDHEPKSA-N 2 0 212.337 1.128 20 0 BDADRP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873255201 590010484 /nfs/dbraw/zinc/01/04/84/590010484.db2.gz DNVQIZGQEFHXIB-AVGNSLFASA-N 2 0 236.363 1.235 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cccc(O)c1 ZINC000873258010 590012258 /nfs/dbraw/zinc/01/22/58/590012258.db2.gz WRDQLCKWRWSVBE-NHCYSSNCSA-N 2 0 220.316 1.780 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cnccn1 ZINC000873259955 590013656 /nfs/dbraw/zinc/01/36/56/590013656.db2.gz PEOSAFBDJMYMMI-FVCCEPFGSA-N 2 0 246.358 1.658 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000873260771 590013684 /nfs/dbraw/zinc/01/36/84/590013684.db2.gz HEUSOYQSSNRJDB-YHQUGGNUSA-N 3 0 237.391 1.377 20 0 BDADRP C[C@H]1CCNC[C@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873261672 590014371 /nfs/dbraw/zinc/01/43/71/590014371.db2.gz QBXIYMFCFOCSGF-PDWCTOEPSA-N 2 0 237.391 1.105 20 0 BDADRP C[C@H]1COCC[C@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873261929 590014551 /nfs/dbraw/zinc/01/45/51/590014551.db2.gz UACZDNQMDVTARR-PDWCTOEPSA-N 2 0 238.375 1.532 20 0 BDADRP CO[C@@H](C)[C@@H](C)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873265760 590014936 /nfs/dbraw/zinc/01/49/36/590014936.db2.gz XNMVBVRIXYDHEF-RXGFPQBGSA-N 2 0 226.364 1.530 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])C1CC[NH2+]CC1 ZINC000873269488 590015630 /nfs/dbraw/zinc/01/56/30/590015630.db2.gz IBKPKSOZOPUROZ-KWCYVHTRSA-N 3 0 239.407 1.482 20 0 BDADRP Cc1n[nH]cc1[C@@H](C)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873267323 590015733 /nfs/dbraw/zinc/01/57/33/590015733.db2.gz BXLVAHGPSYUFJG-NXEZZACHSA-N 2 0 236.363 1.757 20 0 BDADRP C[C@@H]([NH2+][C@@H]1C[C@@H](C)n2ccnc21)C1CC[NH2+]CC1 ZINC000873269184 590015783 /nfs/dbraw/zinc/01/57/83/590015783.db2.gz DLFSHRFYDPTBNJ-NQBHXWOUSA-N 2 0 248.374 1.867 20 0 BDADRP C[C@@H]([NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)C1CC[NH2+]CC1 ZINC000873270545 590015990 /nfs/dbraw/zinc/01/59/90/590015990.db2.gz WSBIRQRPRJLIOZ-BZPMIXESSA-N 3 0 239.407 1.495 20 0 BDADRP C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1nccn1C ZINC000873271409 590015999 /nfs/dbraw/zinc/01/59/99/590015999.db2.gz HCCJTLASTHQANU-QWRGUYRKSA-N 2 0 236.363 1.459 20 0 BDADRP CC[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000873270930 590016051 /nfs/dbraw/zinc/01/60/51/590016051.db2.gz CNOHMTJGEGMPQF-YUTCNCBUSA-N 3 0 239.407 1.495 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@H]1C[NH3+])C1CC[NH2+]CC1 ZINC000873272482 590016090 /nfs/dbraw/zinc/01/60/90/590016090.db2.gz UCGHNTSLTYOEEI-WCFLWFBJSA-N 3 0 225.380 1.092 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)C1CC[NH2+]CC1 ZINC000873270131 590016353 /nfs/dbraw/zinc/01/63/53/590016353.db2.gz XPMNYNWUORCFEC-MBNYWOFBSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC000873282954 590019225 /nfs/dbraw/zinc/01/92/25/590019225.db2.gz XQPHJPDBIRYQMD-AXFHLTTASA-N 2 0 214.353 1.517 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cc(N)cc(F)c1 ZINC000873291555 590023401 /nfs/dbraw/zinc/02/34/01/590023401.db2.gz XDHUCYNGWIJOIO-RKDXNWHRSA-N 2 0 225.311 1.623 20 0 BDADRP c1ccc2c(c1)C[NH2+][C@H](CNC1CC[NH2+]CC1)C2 ZINC000873296688 590024725 /nfs/dbraw/zinc/02/47/25/590024725.db2.gz LEOXEUSYLJQAFW-HNNXBMFYSA-N 2 0 245.370 1.043 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@H]1C[C@H](O)C1 ZINC000873297270 590024734 /nfs/dbraw/zinc/02/47/34/590024734.db2.gz VJULRCDBVWYOSG-DDHJBXDOSA-N 2 0 212.337 1.007 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000873296931 590024777 /nfs/dbraw/zinc/02/47/77/590024777.db2.gz NWLWCBSKEFUXJV-KFWWJZLASA-N 2 0 245.370 1.170 20 0 BDADRP C[C@H]([NH3+])CN(C)C(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000877095282 590281729 /nfs/dbraw/zinc/28/17/29/590281729.db2.gz JSWAOTSGLXWQPY-SRVKXCTJSA-N 2 0 241.379 1.090 20 0 BDADRP C[C@H]([NH3+])CN(C)C(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000877095715 590281744 /nfs/dbraw/zinc/28/17/44/590281744.db2.gz PKCBOPOKLKISIC-GMXVVIOVSA-N 2 0 249.358 1.128 20 0 BDADRP C[C@@H]([NH3+])CN(C)C(=O)CCCC[NH+]1CCCC1 ZINC000877103682 590284109 /nfs/dbraw/zinc/28/41/09/590284109.db2.gz XVPGNBVDVSZHQM-GFCCVEGCSA-N 2 0 241.379 1.058 20 0 BDADRP C[C@H]([NH3+])CN(C)C(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000877106907 590285224 /nfs/dbraw/zinc/28/52/24/590285224.db2.gz XVPCRJZSPYHYSE-GXFFZTMASA-N 2 0 247.342 1.027 20 0 BDADRP [NH3+]Cc1cccc(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC000877293017 590307874 /nfs/dbraw/zinc/30/78/74/590307874.db2.gz WDHIIIFRMJVGND-JOCQHMNTSA-N 2 0 247.342 1.145 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccncc1 ZINC000126713473 590421417 /nfs/dbraw/zinc/42/14/17/590421417.db2.gz AWEFBCCWZRHCNQ-ZYHUDNBSSA-N 2 0 205.305 1.251 20 0 BDADRP CC(C)(O)[C@@H]1CC[N@H+](Cc2cnc3n2CCC3)C1 ZINC000877837410 590432302 /nfs/dbraw/zinc/43/23/02/590432302.db2.gz ZXQPTPDXTVBBPC-LLVKDONJSA-N 2 0 249.358 1.422 20 0 BDADRP C[N@@H+]1CC[C@H]2C[NH+](CCC3(O)CCC3)CC[C@@H]21 ZINC000879578011 590815265 /nfs/dbraw/zinc/81/52/65/590815265.db2.gz AEAJIKGZVMSZOL-STQMWFEESA-N 2 0 238.375 1.318 20 0 BDADRP COCC1([N@H+](C)CC[C@@H]2CCC[NH+]2C)CCC1 ZINC000880186095 590954521 /nfs/dbraw/zinc/95/45/21/590954521.db2.gz PREUDFQMEAJOSP-ZDUSSCGKSA-N 2 0 240.391 1.972 20 0 BDADRP C[C@@H](O)CC[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880259376 590978325 /nfs/dbraw/zinc/97/83/25/590978325.db2.gz RHWGTANXJFBVNI-CHWSQXEVSA-N 2 0 249.358 1.363 20 0 BDADRP CO[C@@H](C)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880260026 590980059 /nfs/dbraw/zinc/98/00/59/590980059.db2.gz MJQUFRYTHVBLOG-OLZOCXBDSA-N 2 0 249.358 1.627 20 0 BDADRP C[C@@H]1C[N@H+](CCCF)CCN1c1cc[nH+]cc1 ZINC000880260909 590980072 /nfs/dbraw/zinc/98/00/72/590980072.db2.gz GPGHQLMJFVQXIZ-GFCCVEGCSA-N 2 0 237.322 1.952 20 0 BDADRP CCC[C@@H](O)C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880474377 591054161 /nfs/dbraw/zinc/05/41/61/591054161.db2.gz HNSZPMOWDFRWGZ-CYBMUJFWSA-N 2 0 240.391 1.708 20 0 BDADRP CC[N@H+](CCNc1ccncc1F)C(C)C ZINC000881905151 591277314 /nfs/dbraw/zinc/27/73/14/591277314.db2.gz OASVOYFPXCDNHZ-UHFFFAOYSA-N 2 0 225.311 1.785 20 0 BDADRP CCN1CC[C@@H]1C[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000883354783 591624212 /nfs/dbraw/zinc/62/42/12/591624212.db2.gz BVWCEGXDHQGIMN-MRVWCRGKSA-N 2 0 237.391 1.153 20 0 BDADRP CCCCOC(=O)CC[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000883442858 591670058 /nfs/dbraw/zinc/67/00/58/591670058.db2.gz UOMCBEDNSDWBKQ-WDEREUQCSA-N 2 0 242.363 1.435 20 0 BDADRP CC1(C)Nc2ccccc2[C@@H]1[NH2+]CCC[NH3+] ZINC000883464741 591675504 /nfs/dbraw/zinc/67/55/04/591675504.db2.gz VIRVHFBLDHUGRB-LBPRGKRZSA-N 2 0 219.332 1.870 20 0 BDADRP CC(C)[C@@H]([NH3+])CNC(=O)C(C)(C)[C@H]([NH3+])C(C)C ZINC000884034706 591815782 /nfs/dbraw/zinc/81/57/82/591815782.db2.gz KEANBGVVPSIQRJ-WDEREUQCSA-N 2 0 243.395 1.095 20 0 BDADRP CC[NH+](CC)CCNC(=O)[C@H](CC(C)C)[NH2+]C ZINC000884175428 591866164 /nfs/dbraw/zinc/86/61/64/591866164.db2.gz SUUOUWNQWGFYFX-LBPRGKRZSA-N 2 0 243.395 1.079 20 0 BDADRP C[NH2+][C@@H](CC(C)C)C(=O)NCCCC[NH+](C)C ZINC000884190911 591870439 /nfs/dbraw/zinc/87/04/39/591870439.db2.gz PZQAGBYLESGRNW-LBPRGKRZSA-N 2 0 243.395 1.079 20 0 BDADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000884267569 591887785 /nfs/dbraw/zinc/88/77/85/591887785.db2.gz ISXNHJKAILJFCJ-TUAOUCFPSA-N 2 0 241.379 1.007 20 0 BDADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000884267571 591888796 /nfs/dbraw/zinc/88/87/96/591888796.db2.gz ISXNHJKAILJFCJ-WOPDTQHZSA-N 2 0 241.379 1.007 20 0 BDADRP COC(=O)[C@H]1CC[C@H]([NH2+]CCCC[NH+](C)C)C1 ZINC000886517984 592242937 /nfs/dbraw/zinc/24/29/37/592242937.db2.gz YVMFBZXIKIYMNF-RYUDHWBXSA-N 2 0 242.363 1.260 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCc3cccnc32)C1 ZINC000886632720 592282464 /nfs/dbraw/zinc/28/24/64/592282464.db2.gz CEXFVSIZHSZGGJ-YUTCNCBUSA-N 2 0 245.370 1.999 20 0 BDADRP C[C@](C[NH3+])([NH2+]CCSC(F)(F)F)C1CC1 ZINC000886830675 592355102 /nfs/dbraw/zinc/35/51/02/592355102.db2.gz VWWOOKYASPMIFS-MRVPVSSYSA-N 2 0 242.310 1.956 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[C@@]12CCOC2 ZINC000886840312 592359521 /nfs/dbraw/zinc/35/95/21/592359521.db2.gz YXUHDEXMFCUMEW-UMSGYPCISA-N 2 0 224.348 1.273 20 0 BDADRP CCN(CC[C@H]1CCC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000886848987 592359688 /nfs/dbraw/zinc/35/96/88/592359688.db2.gz XLIDESIODODCLP-OLZOCXBDSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccccc2)CC[N@@H+]1C ZINC000221734852 592445152 /nfs/dbraw/zinc/44/51/52/592445152.db2.gz MMILFXRAWYPNRF-AEGPPILISA-N 2 0 248.370 1.792 20 0 BDADRP CC[C@@H](O)C[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887133077 592450099 /nfs/dbraw/zinc/45/00/99/592450099.db2.gz SSEAZDWVQVJRAU-TZMCWYRMSA-N 2 0 249.358 1.363 20 0 BDADRP CC[C@H](CNC(=[NH2+])NCC(F)F)[NH+]1CCCC1 ZINC000887348526 592484517 /nfs/dbraw/zinc/48/45/17/592484517.db2.gz MKMOPIZWOBFXGV-SECBINFHSA-N 2 0 248.321 1.240 20 0 BDADRP CC(C)[N@H+](C)CCCNC(=[NH2+])NCC(F)F ZINC000887348451 592484675 /nfs/dbraw/zinc/48/46/75/592484675.db2.gz JGPZMWPDSIBEFD-UHFFFAOYSA-N 2 0 236.310 1.096 20 0 BDADRP CCC[N@H+](CC)CCNC(=[NH2+])NCC1CC1 ZINC000887354331 592487086 /nfs/dbraw/zinc/48/70/86/592487086.db2.gz ZPJQFMLSCANJOB-UHFFFAOYSA-N 2 0 226.368 1.242 20 0 BDADRP CC(C)C[C@H](O)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000300214502 592504743 /nfs/dbraw/zinc/50/47/43/592504743.db2.gz JTEKQHHQMKMMCJ-AGIUHOORSA-N 2 0 228.380 1.466 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCCCCCO)C[C@H]21 ZINC000300417763 592512887 /nfs/dbraw/zinc/51/28/87/592512887.db2.gz NAGTYEZEGSWHHS-MGPQQGTHSA-N 2 0 240.391 1.598 20 0 BDADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC[C@H]1CCOC1 ZINC000300683081 592516907 /nfs/dbraw/zinc/51/69/07/592516907.db2.gz OJHNSXKJBLEUAU-FUDCBSFHSA-N 2 0 238.375 1.757 20 0 BDADRP C[C@H](N)[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccccc1 ZINC000925703434 634382462 /nfs/dbraw/zinc/38/24/62/634382462.db2.gz USESVCMEQZMAAI-JSGCOSHPSA-N 3 0 247.386 1.794 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCC[C@H]2CCC[NH2+]2)C12CCC2 ZINC000925705141 634386411 /nfs/dbraw/zinc/38/64/11/634386411.db2.gz HYQXUUQFIJNNKL-JHJVBQTASA-N 3 0 237.391 1.378 20 0 BDADRP C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)[C@H](C)[NH3+] ZINC000925708830 634404478 /nfs/dbraw/zinc/40/44/78/634404478.db2.gz NZPFWOXOEATGIV-OUCADQQQSA-N 3 0 235.375 1.792 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CO1 ZINC000925714589 634430162 /nfs/dbraw/zinc/43/01/62/634430162.db2.gz ZZUAJUZIABPXSV-KXNHARMFSA-N 2 0 226.364 1.659 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CO1 ZINC000925714588 634430655 /nfs/dbraw/zinc/43/06/55/634430655.db2.gz ZZUAJUZIABPXSV-KKOKHZNYSA-N 2 0 226.364 1.659 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1ncc[nH]1 ZINC000124771124 634432993 /nfs/dbraw/zinc/43/29/93/634432993.db2.gz JODVYXAFKVQMMO-VIFPVBQESA-N 2 0 208.309 1.060 20 0 BDADRP COC(C)(C)CC[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931438287 634455287 /nfs/dbraw/zinc/45/52/87/634455287.db2.gz WKNMRRNLRIUTOJ-QWHCGFSZSA-N 2 0 240.391 1.685 20 0 BDADRP C[C@H](c1ccccn1)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000257708506 634477060 /nfs/dbraw/zinc/47/70/60/634477060.db2.gz NEAXZHIDEMPHGG-NEPJUHHUSA-N 2 0 219.332 1.813 20 0 BDADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)C1 ZINC000925726764 634522198 /nfs/dbraw/zinc/52/21/98/634522198.db2.gz LNGATNBCLPEERS-RKQHYHRCSA-N 2 0 238.375 1.519 20 0 BDADRP C[C@@H]([NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)C1CC[NH2+]CC1 ZINC000925728254 634527738 /nfs/dbraw/zinc/52/77/38/634527738.db2.gz KFAALEJMKGBONB-RTXFEEFZSA-N 3 0 237.391 1.234 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000925735648 634586584 /nfs/dbraw/zinc/58/65/84/634586584.db2.gz HVPVZQYEZCNOAX-FDYHWXHSSA-N 2 0 226.364 1.389 20 0 BDADRP CC1(O)CCC([NH2+][C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000925781886 635274506 /nfs/dbraw/zinc/27/45/06/635274506.db2.gz ZAIMFTCYOXUMPA-LVFLEHKBSA-N 2 0 212.337 1.149 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)[C@@H](C)O1 ZINC000925802701 635349405 /nfs/dbraw/zinc/34/94/05/635349405.db2.gz IAIMCQRNVOBKHN-VEGXAWMVSA-N 2 0 226.364 1.388 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000925832257 635472116 /nfs/dbraw/zinc/47/21/16/635472116.db2.gz MLMCFBZIBFHZQM-UMSGYPCISA-N 2 0 226.364 1.661 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCC1CC=CC1 ZINC000925833008 635475965 /nfs/dbraw/zinc/47/59/65/635475965.db2.gz QZSNNLPZLQFAMQ-UBHSHLNASA-N 2 0 238.375 1.685 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000925834140 635481017 /nfs/dbraw/zinc/48/10/17/635481017.db2.gz WKSIJJJCWYEAOV-UTINFBMNSA-N 2 0 236.281 1.915 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000925834134 635481985 /nfs/dbraw/zinc/48/19/85/635481985.db2.gz WKSIJJJCWYEAOV-QEYWKRMJSA-N 2 0 236.281 1.915 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925840781 635504421 /nfs/dbraw/zinc/50/44/21/635504421.db2.gz XAJRUHVLZQCPRP-OUCADQQQSA-N 2 0 237.391 1.249 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ncc[nH]1 ZINC000124771329 635568121 /nfs/dbraw/zinc/56/81/21/635568121.db2.gz JODVYXAFKVQMMO-SECBINFHSA-N 2 0 208.309 1.060 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)[C@H](C)C1 ZINC000925877948 635602504 /nfs/dbraw/zinc/60/25/04/635602504.db2.gz ZNJQHOXJUUXDNW-MQYQWHSLSA-N 3 0 239.407 1.434 20 0 BDADRP C[C@H]([NH2+]CCC(C)(C)[NH3+])C1CCOCC1 ZINC000308934666 631748437 /nfs/dbraw/zinc/74/84/37/631748437.db2.gz CKLZWUMNZLKUDX-JTQLQIEISA-N 2 0 214.353 1.519 20 0 BDADRP C[N@H+](Cc1cnns1)C1CCC([NH3+])CC1 ZINC000308998556 631785439 /nfs/dbraw/zinc/78/54/39/631785439.db2.gz QOXVZNYGVDFOHL-UHFFFAOYSA-N 2 0 226.349 1.240 20 0 BDADRP O[C@H](C[NH+]1CCCC1)C[NH+]1CCCCCC1 ZINC000309060162 631834910 /nfs/dbraw/zinc/83/49/10/631834910.db2.gz WLXBAPWQLOWVDZ-ZDUSSCGKSA-N 2 0 226.364 1.319 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000091394771 631959070 /nfs/dbraw/zinc/95/90/70/631959070.db2.gz NQBFPSHBGYLLKE-WCQYABFASA-N 2 0 241.379 1.057 20 0 BDADRP CSC1(C[NH2+][C@@H]2CCC[NH2+]CC2)CC1 ZINC000235089688 631977686 /nfs/dbraw/zinc/97/76/86/631977686.db2.gz IAPOPBHLCQOCKF-SNVBAGLBSA-N 2 0 214.378 1.614 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2OC)C1 ZINC000309372307 632025377 /nfs/dbraw/zinc/02/53/77/632025377.db2.gz POEMHOXNCQWNIT-UPJWGTAASA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+](C)C[C@@H]2CC[NH+](C)C2)CC[NH2+]1 ZINC000235365410 632027174 /nfs/dbraw/zinc/02/71/74/632027174.db2.gz MACGMSFOEGFVPY-MGPQQGTHSA-N 3 0 239.407 1.258 20 0 BDADRP COCC[N@H+](CC(C)C)C[C@H]([NH3+])CC(F)F ZINC000309412774 632050134 /nfs/dbraw/zinc/05/01/34/632050134.db2.gz JBEOYSGOHDWIBI-SNVBAGLBSA-N 2 0 238.322 1.573 20 0 BDADRP C[C@H](CNC(=[NH2+])NC(C)(C)C)[NH+]1CCCCC1 ZINC000052042798 632054038 /nfs/dbraw/zinc/05/40/38/632054038.db2.gz RIOFIPGKHUKJPA-LLVKDONJSA-N 2 0 240.395 1.773 20 0 BDADRP CC[N@@H+]1CC[C@H](CN[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000250222955 632538688 /nfs/dbraw/zinc/53/86/88/632538688.db2.gz DZVFFIFHZLQMPS-FRRDWIJNSA-N 2 0 225.380 1.045 20 0 BDADRP CCN1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000250354583 632543295 /nfs/dbraw/zinc/54/32/95/632543295.db2.gz RXUXWUGHCRYSTH-MELADBBJSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@]1(C[NH2+]C[C@H]([NH3+])CC(F)F)CCCO1 ZINC000309044876 632623256 /nfs/dbraw/zinc/62/32/56/632623256.db2.gz MKLPPAHONNQFJN-PSASIEDQSA-N 2 0 222.279 1.128 20 0 BDADRP CC[C@]1(C)CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000309983434 632690012 /nfs/dbraw/zinc/69/00/12/632690012.db2.gz YINUTVVAGUNNHG-ZIAGYGMSSA-N 2 0 240.391 1.565 20 0 BDADRP CO[C@H]1CCC[C@@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000310484363 632748761 /nfs/dbraw/zinc/74/87/61/632748761.db2.gz DPDXSFBIBCTAAD-STQMWFEESA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)C1CCOCC1 ZINC000235515974 632773529 /nfs/dbraw/zinc/77/35/29/632773529.db2.gz WQNSDYCOKXUIRM-CMPLNLGQSA-N 2 0 212.337 1.143 20 0 BDADRP CC[C@@H](C[C@@](C)(O)CC)[NH2+]CCC[NH+](C)C ZINC000924542085 632792736 /nfs/dbraw/zinc/79/27/36/632792736.db2.gz YWKZNKWQSURHKO-STQMWFEESA-N 2 0 230.396 1.857 20 0 BDADRP C[C@H](Cc1ccccn1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000926666748 632794777 /nfs/dbraw/zinc/79/47/77/632794777.db2.gz WDMJMVJIPHGJLI-NFAWXSAZSA-N 2 0 247.386 1.942 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1C[C@H](C)S[C@@H](C)C1 ZINC000235665111 632809173 /nfs/dbraw/zinc/80/91/73/632809173.db2.gz HZLSABUIZNZRBW-RHYQMDGZSA-N 2 0 228.405 1.668 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCCCCCO)C1 ZINC000236328887 632919532 /nfs/dbraw/zinc/91/95/32/632919532.db2.gz IFVGYEMDKKCWEM-RYUDHWBXSA-N 2 0 214.353 1.399 20 0 BDADRP O=c1cc(C[NH2+]CCC[NH+]2CCCCC2)cc[nH]1 ZINC000236410683 632933456 /nfs/dbraw/zinc/93/34/56/632933456.db2.gz KYWBRSIENISIJX-UHFFFAOYSA-N 2 0 249.358 1.341 20 0 BDADRP CC(C)(C)C(=O)CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000309384625 633001548 /nfs/dbraw/zinc/00/15/48/633001548.db2.gz SLTNJAFGXJJQFR-PHIMTYICSA-N 2 0 224.348 1.143 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H](C)C(C)(C)CO)CC1 ZINC000924579923 633014352 /nfs/dbraw/zinc/01/43/52/633014352.db2.gz QWWNGLFUYUUJIU-LBPRGKRZSA-N 2 0 242.407 1.857 20 0 BDADRP COCC[N@H+](CC(C)C)C[C@@H]([NH3+])CC(F)F ZINC000309412770 633033663 /nfs/dbraw/zinc/03/36/63/633033663.db2.gz JBEOYSGOHDWIBI-JTQLQIEISA-N 2 0 238.322 1.573 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)CC1 ZINC000163356102 633053506 /nfs/dbraw/zinc/05/35/06/633053506.db2.gz LYCFZLSAPMTNAK-VXGBXAGGSA-N 2 0 226.364 1.077 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000167535918 633131467 /nfs/dbraw/zinc/13/14/67/633131467.db2.gz RWGVUDQHJUWRHB-BXUZGUMPSA-N 2 0 218.344 1.933 20 0 BDADRP CC1(C)COC[C@@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000894982503 636012368 /nfs/dbraw/zinc/01/23/68/636012368.db2.gz CXTYFVKZIWALNR-ZDUSSCGKSA-N 2 0 245.326 1.849 20 0 BDADRP C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)CC(C)(C)C[NH3+] ZINC000309807273 633761910 /nfs/dbraw/zinc/76/19/10/633761910.db2.gz SMRZHJXQPCYDOG-MNOVXSKESA-N 3 0 213.369 1.031 20 0 BDADRP C1=CC[C@H](C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000328419651 633763134 /nfs/dbraw/zinc/76/31/34/633763134.db2.gz JLVCWLXIKADBDM-UQGHGMQMSA-N 2 0 232.371 1.929 20 0 BDADRP CC[C@H](CSC)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328565066 633776304 /nfs/dbraw/zinc/77/63/04/633776304.db2.gz LEAOYLYDZFSUEB-JSAZDUPASA-N 2 0 240.416 1.714 20 0 BDADRP C[C@@H]([NH2+]CCC(C)(C)[NH3+])c1ccccn1 ZINC000308953408 633835965 /nfs/dbraw/zinc/83/59/65/633835965.db2.gz IBRYPBGEJYHUNU-SNVBAGLBSA-N 2 0 207.321 1.860 20 0 BDADRP CC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)OC ZINC000309271448 633879217 /nfs/dbraw/zinc/87/92/17/633879217.db2.gz DDTNKMUNOUFPNV-WVMKXHBISA-N 2 0 226.364 1.626 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@@H]1CCCO1 ZINC000925535820 633933132 /nfs/dbraw/zinc/93/31/32/633933132.db2.gz LLTSZVIVDRTJSG-VZANTVGXSA-N 2 0 238.375 1.661 20 0 BDADRP C[C@H](CCCO)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925548030 633988851 /nfs/dbraw/zinc/98/88/51/633988851.db2.gz FSSSWIQLFBIXIQ-GRYCIOLGSA-N 2 0 228.380 1.643 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)COC(C)C)C1 ZINC000309955503 634050622 /nfs/dbraw/zinc/05/06/22/634050622.db2.gz IBIHXAOATKLVJS-QWHCGFSZSA-N 2 0 228.380 1.731 20 0 BDADRP CC[C@@]1(C)CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000309983431 634058636 /nfs/dbraw/zinc/05/86/36/634058636.db2.gz YINUTVVAGUNNHG-KBPBESRZSA-N 2 0 240.391 1.565 20 0 BDADRP CC[C@H](CO)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925612463 634150212 /nfs/dbraw/zinc/15/02/12/634150212.db2.gz RUSAAYMNRXITPX-AXFHLTTASA-N 2 0 214.353 1.253 20 0 BDADRP COCCC(C)(C)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925640658 634188182 /nfs/dbraw/zinc/18/81/82/634188182.db2.gz UCZPHWGTLJOMOW-LLVKDONJSA-N 2 0 228.380 1.779 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@H]1CCC[C@H]1CCO ZINC000925645401 634197588 /nfs/dbraw/zinc/19/75/88/634197588.db2.gz QBRTUENIVDZUKP-SRVKXCTJSA-N 2 0 226.364 1.268 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000925650845 634208976 /nfs/dbraw/zinc/20/89/76/634208976.db2.gz ZIJKYHMXQAWFOW-KFPWZJCLSA-N 2 0 238.375 1.253 20 0 BDADRP CO[C@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925661949 634225907 /nfs/dbraw/zinc/22/59/07/634225907.db2.gz FTSVTDKEGDEKLF-CYDGBPFRSA-N 2 0 238.375 1.804 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCN1CC=CCC1 ZINC000925662459 634227753 /nfs/dbraw/zinc/22/77/53/634227753.db2.gz IKRPKUIUZUPXIG-DGKWVBSXSA-N 2 0 249.402 1.354 20 0 BDADRP C[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925670520 634253059 /nfs/dbraw/zinc/25/30/59/634253059.db2.gz LTYNGUVZVPHRFO-UTUOFQBUSA-N 2 0 226.364 1.389 20 0 BDADRP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)[C@H](O)C(F)F ZINC000925677915 634271500 /nfs/dbraw/zinc/27/15/00/634271500.db2.gz AQIRGRSBDOBEEW-JLIMGVALSA-N 2 0 248.317 1.251 20 0 BDADRP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)[C@H](O)C(F)F ZINC000925677917 634273091 /nfs/dbraw/zinc/27/30/91/634273091.db2.gz AQIRGRSBDOBEEW-QEYWKRMJSA-N 2 0 248.317 1.251 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925679016 634277151 /nfs/dbraw/zinc/27/71/51/634277151.db2.gz HCZBXXGNURQEBP-OLZOCXBDSA-N 2 0 240.391 1.802 20 0 BDADRP Cc1cnc(CC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)cn1 ZINC000925683694 634286856 /nfs/dbraw/zinc/28/68/56/634286856.db2.gz AHLWDJAXMQPZIM-CHWSQXEVSA-N 2 0 246.358 1.187 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ncc[nH]1 ZINC000925689466 634308678 /nfs/dbraw/zinc/30/86/78/634308678.db2.gz AAIDLAQBPJFQGN-VHSXEESVSA-N 2 0 208.309 1.060 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925690095 634312308 /nfs/dbraw/zinc/31/23/08/634312308.db2.gz DWJZETZZDMHFDG-VXGBXAGGSA-N 2 0 225.380 1.234 20 0 BDADRP CC1(C)C[C@@H](NC[C@H]2CCC[NH2+]2)C[C@@H]([NH3+])C1 ZINC000925691686 634319604 /nfs/dbraw/zinc/31/96/04/634319604.db2.gz JNAYPJGKRDTBBC-UTUOFQBUSA-N 2 0 225.380 1.234 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H](NC[C@@H]2CCC[NH2+]2)C1 ZINC000925691684 634320192 /nfs/dbraw/zinc/32/01/92/634320192.db2.gz JNAYPJGKRDTBBC-GRYCIOLGSA-N 2 0 225.380 1.234 20 0 BDADRP C[C@H]1[NH2+]CCC[C@@H]1NCc1ccc2c[nH+]cn2c1 ZINC000925691726 634321220 /nfs/dbraw/zinc/32/12/20/634321220.db2.gz IYVHADQNWVKDAC-RISCZKNCSA-N 2 0 244.342 1.564 20 0 BDADRP C(N[C@@H]1CC[NH2+]C12CCCC2)[C@@H]1CCC[NH2+]1 ZINC000925692586 634325807 /nfs/dbraw/zinc/32/58/07/634325807.db2.gz NBJDDIIKANUDJF-NWDGAFQWSA-N 2 0 223.364 1.003 20 0 BDADRP [NH3+][C@@H]1C[C@@H](NCC2([NH3+])CCCCC2)C12CCC2 ZINC000925693239 634326936 /nfs/dbraw/zinc/32/69/36/634326936.db2.gz QLAWUXUIWPKWDL-VXGBXAGGSA-N 2 0 237.391 1.508 20 0 BDADRP CC(C)C[C@H](C[NH3+])N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925693588 634328713 /nfs/dbraw/zinc/32/87/13/634328713.db2.gz PPWVZVVOCBVWHD-IJLUTSLNSA-N 2 0 225.380 1.219 20 0 BDADRP CC(C)C[C@H](C[NH3+])N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925693590 634330071 /nfs/dbraw/zinc/33/00/71/634330071.db2.gz PPWVZVVOCBVWHD-UTUOFQBUSA-N 2 0 225.380 1.219 20 0 BDADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925697280 634357745 /nfs/dbraw/zinc/35/77/45/634357745.db2.gz XJJLXBKNAAYFQD-QNWHQSFQSA-N 2 0 238.375 1.802 20 0 BDADRP CC1(C)[C@H](NCC2([NH3+])CCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925698540 634364482 /nfs/dbraw/zinc/36/44/82/634364482.db2.gz KMEKSWRCCLITGH-GRYCIOLGSA-N 2 0 237.391 1.234 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H](NC[C@@H]([NH3+])C2CC2)C1 ZINC000925699137 634366102 /nfs/dbraw/zinc/36/61/02/634366102.db2.gz NDACVBATHLYOQC-IJLUTSLNSA-N 2 0 225.380 1.219 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CC2=CC[NH2+]CC2)C1 ZINC000925700068 634368090 /nfs/dbraw/zinc/36/80/90/634368090.db2.gz REHGFKNEDWHCEW-CHWSQXEVSA-N 3 0 237.391 1.402 20 0 BDADRP C[C@H]([NH3+])[C@@H](NCC(C)(C)[NH3+])c1ccccc1 ZINC000925699727 634368257 /nfs/dbraw/zinc/36/82/57/634368257.db2.gz QEEIWDPWNMWBMQ-CMPLNLGQSA-N 2 0 221.348 1.402 20 0 BDADRP [NH3+]C1(CN[C@H]2CC[NH2+]C23CCCC3)CCC1 ZINC000925699760 634368734 /nfs/dbraw/zinc/36/87/34/634368734.db2.gz QISFYZFVNGXNEA-NSHDSACASA-N 2 0 223.364 1.132 20 0 BDADRP C[C@@H]([NH3+])[C@H](N[C@H](C)C[NH3+])c1ccccc1 ZINC000925699732 634369502 /nfs/dbraw/zinc/36/95/02/634369502.db2.gz QFEDVKODMITMGH-FOGDFJRCSA-N 2 0 207.321 1.012 20 0 BDADRP C1CCC2(C1)[NH2+]CC[C@H]2N[C@H]1CCC[NH2+]CC1 ZINC000925700717 634369981 /nfs/dbraw/zinc/36/99/81/634369981.db2.gz RSWCFEICLFGPOX-QWHCGFSZSA-N 2 0 237.391 1.393 20 0 BDADRP C[C@H]([NH3+])[C@@H](N[C@@H](C)C[NH3+])c1ccccc1 ZINC000925700472 634371517 /nfs/dbraw/zinc/37/15/17/634371517.db2.gz QFEDVKODMITMGH-JBLDHEPKSA-N 2 0 207.321 1.012 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000925771555 635207915 /nfs/dbraw/zinc/20/79/15/635207915.db2.gz BYGBWAWGYZDHDE-XQQFMLRXSA-N 2 0 238.375 1.663 20 0 BDADRP C[N@H+](CCc1ccccc1F)C[C@@H]1CC[NH2+]C1 ZINC000258891858 635220811 /nfs/dbraw/zinc/22/08/11/635220811.db2.gz LKMITLIQSDTLND-GFCCVEGCSA-N 2 0 236.334 1.910 20 0 BDADRP C[NH+]1CCC(C[NH2+]CC2(CO)CCC2)CC1 ZINC000258915425 635224990 /nfs/dbraw/zinc/22/49/90/635224990.db2.gz GILZLVXGTRYGNE-UHFFFAOYSA-N 2 0 226.364 1.080 20 0 BDADRP CN(C[C@H]1CCC[NH2+]1)C[C@H]1CCC[N@H+](C)C1 ZINC000258946365 635227783 /nfs/dbraw/zinc/22/77/83/635227783.db2.gz QXHRIGNZUXSLOZ-QWHCGFSZSA-N 2 0 225.380 1.012 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000925782749 635280622 /nfs/dbraw/zinc/28/06/22/635280622.db2.gz HQDNSRHTUNVIIM-DDHJBXDOSA-N 2 0 214.328 1.712 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCC12CCC2 ZINC000925783767 635292729 /nfs/dbraw/zinc/29/27/29/635292729.db2.gz GUOQLXZBBYQMNY-WOPDTQHZSA-N 2 0 208.349 1.764 20 0 BDADRP CO[C@@H](C)[C@@H](C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925799585 635342860 /nfs/dbraw/zinc/34/28/60/635342860.db2.gz VPWPABBXVRWIJN-WISYIIOYSA-N 2 0 214.353 1.245 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)[C@H](C)O1 ZINC000925802692 635350042 /nfs/dbraw/zinc/35/00/42/635350042.db2.gz IAIMCQRNVOBKHN-LBELIVKGSA-N 2 0 226.364 1.388 20 0 BDADRP Cc1cc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)nc(N)[nH+]1 ZINC000227497906 635450326 /nfs/dbraw/zinc/45/03/26/635450326.db2.gz YMNBTYAMECPSPR-VHSXEESVSA-N 2 0 235.335 1.262 20 0 BDADRP CO[C@@H]1CCC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000230313953 635484556 /nfs/dbraw/zinc/48/45/56/635484556.db2.gz UJEBMIZBUIFVCS-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP CCC[C@@H](O)CC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000925856769 635547843 /nfs/dbraw/zinc/54/78/43/635547843.db2.gz LBEMFUQCQLBLAQ-NWDGAFQWSA-N 2 0 214.353 1.269 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCS[C@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000925860751 635552935 /nfs/dbraw/zinc/55/29/35/635552935.db2.gz KWGRFESMCQHOKJ-NOOOWODRSA-N 2 0 228.405 1.858 20 0 BDADRP COC[C@H](C[NH2+][C@H](C)C1C[NH2+]C1)C(C)C ZINC000925874523 635595567 /nfs/dbraw/zinc/59/55/67/635595567.db2.gz SJFVOJUHIBLXLC-PWSUYJOCSA-N 2 0 214.353 1.103 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+]([C@@H]3CCCC[C@H]3O)C[C@@H]2C1 ZINC000310386218 635820866 /nfs/dbraw/zinc/82/08/66/635820866.db2.gz HTYHCNKQZSOORC-XJFOESAGSA-N 2 0 238.375 1.173 20 0 BDADRP C[C@H](Cn1ccnc1)[NH2+]CC1CC[NH+](C)CC1 ZINC000054242696 636240446 /nfs/dbraw/zinc/24/04/46/636240446.db2.gz MIDWSGLXTDZMMV-GFCCVEGCSA-N 2 0 236.363 1.203 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+]CC1CC[NH+](C)CC1 ZINC000054243626 636242763 /nfs/dbraw/zinc/24/27/63/636242763.db2.gz LFLLKFBJKAJPRX-LBPRGKRZSA-N 3 0 227.396 1.258 20 0 BDADRP Cc1noc(C)c1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000086404881 636886799 /nfs/dbraw/zinc/88/67/99/636886799.db2.gz CMQHABYQKYQMQP-QWRGUYRKSA-N 2 0 223.320 1.651 20 0 BDADRP [NH3+][C@@H]1CCc2ccccc2N(C[C@H]2CCC[NH2+]2)C1 ZINC000903463927 637364846 /nfs/dbraw/zinc/36/48/46/637364846.db2.gz SLTOUFAINDAYCE-ZIAGYGMSSA-N 2 0 245.370 1.519 20 0 BDADRP [NH3+]C[C@@H]1CCc2ccccc2N1C[C@H]1CCC[NH2+]1 ZINC000903463760 637364896 /nfs/dbraw/zinc/36/48/96/637364896.db2.gz LTBPZBDKJYRGNZ-KGLIPLIRSA-N 2 0 245.370 1.519 20 0 BDADRP C[C@]12COC[C@H]1C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C2 ZINC000903463758 637364965 /nfs/dbraw/zinc/36/49/65/637364965.db2.gz LQYVGQDLGQRNSU-NDBYEHHHSA-N 2 0 224.348 1.082 20 0 BDADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000903564543 637370481 /nfs/dbraw/zinc/37/04/81/637370481.db2.gz ZASLJONJAZWRKW-JHJVBQTASA-N 2 0 228.380 1.325 20 0 BDADRP CCCC[N@H+](CCO)C[C@H]1CCCC[NH2+]C1 ZINC000903718592 637376869 /nfs/dbraw/zinc/37/68/69/637376869.db2.gz PHCXJHKCYSHXAV-ZDUSSCGKSA-N 2 0 228.380 1.471 20 0 BDADRP CC(C)C[N@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903725465 637379809 /nfs/dbraw/zinc/37/98/09/637379809.db2.gz ZXSBMSPDODAUJZ-CHWSQXEVSA-N 2 0 226.364 1.343 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903788524 637382688 /nfs/dbraw/zinc/38/26/88/637382688.db2.gz NDAUIGLYJGPBAC-QWHCGFSZSA-N 3 0 225.380 1.047 20 0 BDADRP Cc1cn(C)nc1C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000903789634 637383914 /nfs/dbraw/zinc/38/39/14/637383914.db2.gz YPZGYMZHAKKUSN-ZYHUDNBSSA-N 2 0 236.363 1.145 20 0 BDADRP CC1CC(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)C1 ZINC000903789064 637383952 /nfs/dbraw/zinc/38/39/52/637383952.db2.gz UBTUCISRMNKBBZ-MVKMKZAISA-N 2 0 210.365 1.949 20 0 BDADRP C(CN1CCC[C@@]12CC[NH2+]C2)[C@@H]1CCC[NH2+]C1 ZINC000903867314 637385944 /nfs/dbraw/zinc/38/59/44/637385944.db2.gz PDAIBUKFUDFEHY-KBPBESRZSA-N 2 0 237.391 1.204 20 0 BDADRP CC[NH+](CC)CCCN1CCC[C@@]12CC[NH2+]C2 ZINC000903866405 637386245 /nfs/dbraw/zinc/38/62/45/637386245.db2.gz IWMSIUDSGHCSSG-AWEZNQCLSA-N 2 0 239.407 1.546 20 0 BDADRP CCO[C@H]1CC[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000904428940 637397538 /nfs/dbraw/zinc/39/75/38/637397538.db2.gz RQAGYPXMKSPNBS-AVGNSLFASA-N 2 0 226.364 1.485 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CC[C@]2(C1)CCCC[NH2+]2 ZINC000904431000 637401255 /nfs/dbraw/zinc/40/12/55/637401255.db2.gz VPLUVCYMTOVSPP-KGLIPLIRSA-N 2 0 239.407 1.578 20 0 BDADRP CC(C)([NH3+])C[N@@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000904462395 637406861 /nfs/dbraw/zinc/40/68/61/637406861.db2.gz JGRFMKHNOPDKSS-CZXHOFHRSA-N 2 0 220.360 1.868 20 0 BDADRP C[C@]12C[N@H+](CC34CC(C3)C[NH2+]4)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000904462511 637406966 /nfs/dbraw/zinc/40/69/66/637406966.db2.gz KYBWCVGIJONTRB-ZIXXKZBOSA-N 2 0 244.382 1.882 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H]1COC[C@H]1C1CC1 ZINC000904475127 637425187 /nfs/dbraw/zinc/42/51/87/637425187.db2.gz ISTGYNQRZMGIGN-SAXRGWBVSA-N 2 0 238.375 1.532 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)NC(C)(C)CCC[NH3+] ZINC000904930571 637533482 /nfs/dbraw/zinc/53/34/82/637533482.db2.gz FJMQWANDCFYGNW-GFCCVEGCSA-N 2 0 229.368 1.138 20 0 BDADRP Cc1nc2ccccn2c1C[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC000906508047 638179737 /nfs/dbraw/zinc/17/97/37/638179737.db2.gz IZGDFCCQAJARFQ-XYPYZODXSA-N 2 0 230.315 1.222 20 0 BDADRP CC(C)c1ncc(CNC2CC([NH3+])C2)s1 ZINC000906509589 638181728 /nfs/dbraw/zinc/18/17/28/638181728.db2.gz KUBQVSPWZCEXGB-UHFFFAOYSA-N 2 0 225.361 1.846 20 0 BDADRP COc1ccc(C[NH2+]C2CC([NH3+])C2)cc1F ZINC000906509274 638182079 /nfs/dbraw/zinc/18/20/79/638182079.db2.gz FBTBMQLGGQNCMZ-UHFFFAOYSA-N 2 0 224.279 1.414 20 0 BDADRP [NH3+]C1CC([NH2+]Cc2ccc3cnccc3c2)C1 ZINC000906510441 638184191 /nfs/dbraw/zinc/18/41/91/638184191.db2.gz IRPJLNOPMUZCGL-UHFFFAOYSA-N 2 0 227.311 1.814 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC1CC([NH3+])C1 ZINC000906509963 638184718 /nfs/dbraw/zinc/18/47/18/638184718.db2.gz GHRPOHNJCQIUEL-IGJPJIBNSA-N 2 0 225.380 1.377 20 0 BDADRP C=C/C=C/CC[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000713757426 711455144 /nfs/dbraw/zinc/45/51/44/711455144.db2.gz IPWPDPAWZRYNII-FBVTZJDUSA-N 2 0 224.348 1.414 20 0 BDADRP C[C@H]1CC[C@@H](C[N@H+](C)C2CCC([NH3+])CC2)O1 ZINC000149780080 639136006 /nfs/dbraw/zinc/13/60/06/639136006.db2.gz HBLFLKWNDHSNAF-WTIISPKJSA-N 2 0 226.364 1.756 20 0 BDADRP Cc1cc(C)c(C(=O)NCCC[NH3+])c(C)n1 ZINC000911648361 639703332 /nfs/dbraw/zinc/70/33/32/639703332.db2.gz QORLDSLMKROWMV-UHFFFAOYSA-N 2 0 221.304 1.085 20 0 BDADRP C[NH2+]C1(C(=O)Nc2cccc(C[NH3+])c2)CCC1 ZINC000911649996 639706609 /nfs/dbraw/zinc/70/66/09/639706609.db2.gz ZLWOUTHBSARFQW-UHFFFAOYSA-N 2 0 233.315 1.226 20 0 BDADRP CC(C)C[C@@H]([NH3+])CC(=O)Nc1cccc(C[NH3+])c1 ZINC000911649960 639707492 /nfs/dbraw/zinc/70/74/92/639707492.db2.gz YNQFVISBHKPMFY-GFCCVEGCSA-N 2 0 249.358 1.847 20 0 BDADRP CC(C)(C)[C@@H]([NH3+])CC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000911713473 639740297 /nfs/dbraw/zinc/74/02/97/639740297.db2.gz IVLVQMRMRGIWTC-QWRGUYRKSA-N 2 0 241.379 1.008 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)N[C@H](C[NH3+])CC(C)C ZINC000911820492 639836163 /nfs/dbraw/zinc/83/61/63/639836163.db2.gz RXVNEEGQNNPWLS-RYUDHWBXSA-N 2 0 243.395 1.240 20 0 BDADRP CC(C)C[C@@](C)(C[NH3+])C(=O)NC[C@@H]([NH3+])C(C)C ZINC000911827420 639838888 /nfs/dbraw/zinc/83/88/88/639838888.db2.gz UVBXVPKWOSYPLA-YPMHNXCESA-N 2 0 243.395 1.097 20 0 BDADRP CC[C@@H](C)C[C@@H]([NH3+])C(=O)NCC([NH3+])(CC)CC ZINC000911858465 639861435 /nfs/dbraw/zinc/86/14/35/639861435.db2.gz RODQQBQFAAZCHC-GHMZBOCLSA-N 2 0 243.395 1.384 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]1CC[NH2+][C@H](C)C1 ZINC000911881759 639866668 /nfs/dbraw/zinc/86/66/68/639866668.db2.gz RWQQKBPKVPAIJS-UTUOFQBUSA-N 2 0 241.379 1.008 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](CCc3ccncc3)C[C@@H]2C1 ZINC000931432328 640199718 /nfs/dbraw/zinc/19/97/18/640199718.db2.gz MMHSNCJHGQUVNY-CABCVRRESA-N 2 0 245.370 1.508 20 0 BDADRP CO[C@H]1CC[C@@H]([N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)C1 ZINC000931435617 640202593 /nfs/dbraw/zinc/20/25/93/640202593.db2.gz BVHLQKKKNZAMSU-DGAVXFQQSA-N 2 0 238.375 1.437 20 0 BDADRP CC(C)[C@@H](O)CC[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931443217 640207618 /nfs/dbraw/zinc/20/76/18/640207618.db2.gz TWPLVNIHABEHHM-MJBXVCDLSA-N 2 0 240.391 1.277 20 0 BDADRP Nc1ccnc2c1C[N@H+](CCC1CC1)CC2 ZINC000931512277 640241325 /nfs/dbraw/zinc/24/13/25/640241325.db2.gz IBRCEPIVKHXNKX-UHFFFAOYSA-N 2 0 217.316 1.822 20 0 BDADRP COC/C(C)=C\CN1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000931547799 640267200 /nfs/dbraw/zinc/26/72/00/640267200.db2.gz SXSUORBFYONINC-IZWIXQHKSA-N 2 0 238.375 1.605 20 0 BDADRP CC[C@@H](CO)[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000931685065 640315825 /nfs/dbraw/zinc/31/58/25/640315825.db2.gz YICZWJQSWCUVPH-OLZOCXBDSA-N 2 0 249.358 1.363 20 0 BDADRP CO[C@H]1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2CN(C)CC3)C1 ZINC000931719619 640334582 /nfs/dbraw/zinc/33/45/82/640334582.db2.gz WJFUOLYMRPYCEJ-MQYQWHSLSA-N 2 0 238.375 1.722 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000931717857 640336527 /nfs/dbraw/zinc/33/65/27/640336527.db2.gz DYTLSECSQDBEBE-FQUUOJAGSA-N 2 0 238.375 1.580 20 0 BDADRP C[NH+]1CCC(C[NH2+]Cc2cccc(O)c2)CC1 ZINC000044515802 640398119 /nfs/dbraw/zinc/39/81/19/640398119.db2.gz ODWYOJXNCAVNOZ-UHFFFAOYSA-N 2 0 234.343 1.824 20 0 BDADRP C[N@H+](Cc1cccnc1)C1CCC([NH3+])CC1 ZINC000055144366 640438853 /nfs/dbraw/zinc/43/88/53/640438853.db2.gz QGDHJWWGDRMIRZ-UHFFFAOYSA-N 2 0 219.332 1.783 20 0 BDADRP COCC[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000045018744 640487533 /nfs/dbraw/zinc/48/75/33/640487533.db2.gz OJWQWQATYBVFKL-LBPRGKRZSA-N 2 0 228.380 1.874 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000164607894 640493244 /nfs/dbraw/zinc/49/32/44/640493244.db2.gz FGHMJZAXEOCMJU-QWRGUYRKSA-N 2 0 214.353 1.077 20 0 BDADRP C[N@H+](C[C@H]1CCSC1)C1CCC([NH3+])CC1 ZINC000224618406 640629148 /nfs/dbraw/zinc/62/91/48/640629148.db2.gz BGFOTTVPPLHEOZ-VOMCLLRMSA-N 2 0 228.405 1.941 20 0 BDADRP CC(C)[C@H]1CC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000166321346 640630141 /nfs/dbraw/zinc/63/01/41/640630141.db2.gz BIGBWHGAFMVYTE-AGIUHOORSA-N 2 0 210.365 1.820 20 0 BDADRP CC(C)OCCC[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933741653 640749906 /nfs/dbraw/zinc/74/99/06/640749906.db2.gz ZQZZSFAACPXBSL-UONOGXRCSA-N 2 0 240.391 1.685 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@H](C)CC[C@@H]1C ZINC000228010349 640857085 /nfs/dbraw/zinc/85/70/85/640857085.db2.gz MYLUIQFYIVDTAN-RNJOBUHISA-N 2 0 210.365 1.962 20 0 BDADRP Cc1c[nH+]ccc1N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228549658 640881024 /nfs/dbraw/zinc/88/10/24/640881024.db2.gz MDWNNHYBGCWLLN-YNEHKIRRSA-N 2 0 231.343 1.954 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@]2(C)CCOC2)CC1 ZINC000229448126 640957253 /nfs/dbraw/zinc/95/72/53/640957253.db2.gz SQEDSCZZRVFIBT-LBPRGKRZSA-N 2 0 212.337 1.097 20 0 BDADRP CCC[C@](C)(O)C[NH2+]CC1CC[NH+](C)CC1 ZINC000230687788 641086500 /nfs/dbraw/zinc/08/65/00/641086500.db2.gz MFJCFQJGNUMCHM-ZDUSSCGKSA-N 2 0 228.380 1.469 20 0 BDADRP CN(Cc1ccncc1)C[C@@]1(C)CCC[NH2+]C1 ZINC000062862047 641101001 /nfs/dbraw/zinc/10/10/01/641101001.db2.gz RXKQGNZZLBNPAK-AWEZNQCLSA-N 2 0 233.359 1.903 20 0 BDADRP CC[C@@H]1CO[C@@H](C)CN1C[C@]1(C)CCC[NH2+]C1 ZINC000062862447 641101073 /nfs/dbraw/zinc/10/10/73/641101073.db2.gz LSVQNWKYCGEZLV-BFHYXJOUSA-N 2 0 240.391 1.875 20 0 BDADRP CN(Cc1cnn(C)c1)C[C@]1(C)CCC[NH2+]C1 ZINC000062862524 641101164 /nfs/dbraw/zinc/10/11/64/641101164.db2.gz LTYDNAHPKQJWIL-CYBMUJFWSA-N 2 0 236.363 1.242 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCSC(F)(F)F ZINC000231940084 641216457 /nfs/dbraw/zinc/21/64/57/641216457.db2.gz VUXLGQRQFKHDCF-YUMQZZPRSA-N 2 0 242.310 1.956 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)c2ccsc2)C1 ZINC000231978902 641226060 /nfs/dbraw/zinc/22/60/60/641226060.db2.gz HPJUXBDKWVKXMA-IJLUTSLNSA-N 2 0 240.372 1.641 20 0 BDADRP CC1CC[NH+](CCN[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089150326 641477136 /nfs/dbraw/zinc/47/71/36/641477136.db2.gz RATBHAAOKKUAFI-KGLIPLIRSA-N 2 0 239.407 1.435 20 0 BDADRP O[C@@H](C[NH2+]CCC[NH+]1CCCC1)c1ccccc1 ZINC000042211147 641549826 /nfs/dbraw/zinc/54/98/26/641549826.db2.gz YFJBWAMIPCGSMY-HNNXBMFYSA-N 2 0 248.370 1.796 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC=CO2)CC[N@@H+]1C ZINC000157692432 641622905 /nfs/dbraw/zinc/62/29/05/641622905.db2.gz SWWBMZWMMBPRSN-UPJWGTAASA-N 2 0 224.348 1.751 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)[C@H]1CCOC1 ZINC000158615045 641642474 /nfs/dbraw/zinc/64/24/74/641642474.db2.gz SJZCSXXCVTXAQX-AVGNSLFASA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCOC1 ZINC000158632503 641643332 /nfs/dbraw/zinc/64/33/32/641643332.db2.gz XDSIQZOJNYVYNQ-KKOKHZNYSA-N 2 0 212.337 1.128 20 0 BDADRP CCCC[NH2+]CCCC[NH+]1CCN(CC)CC1 ZINC000915228963 641811573 /nfs/dbraw/zinc/81/15/73/641811573.db2.gz LYLPOGXOCSBVDU-UHFFFAOYSA-N 2 0 241.423 1.794 20 0 BDADRP CN(CC1CC[NH+](C)CC1)c1cc[nH+]c(CO)c1 ZINC000063121359 642310645 /nfs/dbraw/zinc/31/06/45/642310645.db2.gz RTTYPZUZWOYEQV-UHFFFAOYSA-N 2 0 249.358 1.352 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@]2(C)CCC[NH2+]C2)CCCO1 ZINC000305915241 642711734 /nfs/dbraw/zinc/71/17/34/642711734.db2.gz FUSYZYKRNSWOFM-ZIAGYGMSSA-N 2 0 240.391 1.877 20 0 BDADRP C[NH+](C)CC1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000068908812 642809217 /nfs/dbraw/zinc/80/92/17/642809217.db2.gz XMGRNIMZPLQXGX-CYBMUJFWSA-N 2 0 226.364 1.031 20 0 BDADRP C[NH+]1CCC(NCc2cnn(C3CCC3)c2)CC1 ZINC000921498492 642924548 /nfs/dbraw/zinc/92/45/48/642924548.db2.gz HVIHOSPGTRJCMR-UHFFFAOYSA-N 2 0 248.374 1.792 20 0 BDADRP CC[C@@](C)(CO)[NH2+]CC1CC[NH+](C)CC1 ZINC000070898651 643078334 /nfs/dbraw/zinc/07/83/34/643078334.db2.gz SIRNKDDIDFAUEV-LBPRGKRZSA-N 2 0 214.353 1.079 20 0 BDADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H]1CCOC1 ZINC000253058119 643155679 /nfs/dbraw/zinc/15/56/79/643155679.db2.gz BMQZTPMXZXJSEN-YJBUHQLJSA-N 2 0 238.375 1.626 20 0 BDADRP Cl/C=C/C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000306799234 643245055 /nfs/dbraw/zinc/24/50/55/643245055.db2.gz MSOGKODCBYTKFR-QMHDWFDUSA-N 2 0 214.740 1.670 20 0 BDADRP C[N@H+](CCC[NH2+]C1CC1)CC1CCOCC1 ZINC000082544596 643339311 /nfs/dbraw/zinc/33/93/11/643339311.db2.gz IITBYTYIVZMFRA-UHFFFAOYSA-N 2 0 226.364 1.487 20 0 BDADRP C[N@H+](CC1CCOCC1)C1CCC([NH3+])CC1 ZINC000082544765 643339486 /nfs/dbraw/zinc/33/94/86/643339486.db2.gz KASZMWMRQAZTSS-UHFFFAOYSA-N 2 0 226.364 1.615 20 0 BDADRP O=c1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc[nH]1 ZINC000921526813 643587363 /nfs/dbraw/zinc/58/73/63/643587363.db2.gz IITMMUQMPDVJAU-LBPRGKRZSA-N 2 0 247.342 1.361 20 0 BDADRP O=c1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc[nH]1 ZINC000921526811 643588269 /nfs/dbraw/zinc/58/82/69/643588269.db2.gz IITMMUQMPDVJAU-GFCCVEGCSA-N 2 0 247.342 1.361 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@@H](O)c1ccccc1 ZINC000049557441 643622827 /nfs/dbraw/zinc/62/28/27/643622827.db2.gz DMFALEVWXPPXKD-GXTWGEPZSA-N 2 0 236.359 1.650 20 0 BDADRP CCOc1ccccc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000050245242 643661622 /nfs/dbraw/zinc/66/16/22/643661622.db2.gz CLFYWJYMXWBSGP-LBPRGKRZSA-N 2 0 234.343 1.866 20 0 BDADRP C[N@H+](CCc1cccs1)C1CC([NH3+])C1 ZINC000087653649 643666729 /nfs/dbraw/zinc/66/67/29/643666729.db2.gz QTEUDLCFRBRSDG-UHFFFAOYSA-N 2 0 210.346 1.712 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@H]1CCC=CO1 ZINC000050269605 643672159 /nfs/dbraw/zinc/67/21/59/643672159.db2.gz GHWLILQMMOOWET-NWDGAFQWSA-N 2 0 212.337 1.609 20 0 BDADRP C1=CO[C@H](C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000050269141 643672168 /nfs/dbraw/zinc/67/21/68/643672168.db2.gz IZELUJRURDIXCP-JSGCOSHPSA-N 2 0 236.359 1.753 20 0 BDADRP CC[C@@H]1CO[C@@H](C)C[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000085015084 643679048 /nfs/dbraw/zinc/67/90/48/643679048.db2.gz IJILCLZVDGZALN-QNWHQSFQSA-N 2 0 226.364 1.613 20 0 BDADRP CO[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CC[C@@H]1C ZINC000230311890 643767699 /nfs/dbraw/zinc/76/76/99/643767699.db2.gz IPJYECXBWVABDI-MELADBBJSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H]1N(C)C ZINC000251847161 643806555 /nfs/dbraw/zinc/80/65/55/643806555.db2.gz RBFYVLGVORSIME-HZSPNIEDSA-N 2 0 239.407 1.258 20 0 BDADRP Cc1nonc1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000085869730 643824513 /nfs/dbraw/zinc/82/45/13/643824513.db2.gz BHUSTSLKKCVTHW-UHFFFAOYSA-N 2 0 224.308 1.080 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCCCCCO ZINC000228659078 644140365 /nfs/dbraw/zinc/14/03/65/644140365.db2.gz OXVMYWUBVQFXLJ-NEPJUHHUSA-N 2 0 214.353 1.208 20 0 BDADRP CC[C@@H](CO)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000929327410 644142877 /nfs/dbraw/zinc/14/28/77/644142877.db2.gz JCGTXNCNYBBBIO-ZDUSSCGKSA-N 2 0 228.380 1.421 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]CC1CCOCC1 ZINC000086496299 644143110 /nfs/dbraw/zinc/14/31/10/644143110.db2.gz CDYKPXAUMQJUTE-YPMHNXCESA-N 2 0 226.364 1.533 20 0 BDADRP CC(C)CC[C@H](O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000923279019 644311800 /nfs/dbraw/zinc/31/18/00/644311800.db2.gz AIMPPMGCONWAMI-ZDUSSCGKSA-N 2 0 228.380 1.467 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@H](O)c2ccc(C)cc2)C1 ZINC000923290973 644326875 /nfs/dbraw/zinc/32/68/75/644326875.db2.gz PSNHWMXEMYKGLG-ZFWWWQNUSA-N 2 0 248.370 1.570 20 0 BDADRP CC(C)CC[C@@H](O)C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000923300455 644334607 /nfs/dbraw/zinc/33/46/07/644334607.db2.gz SLTCSRALXFFIKJ-OLZOCXBDSA-N 2 0 230.396 1.747 20 0 BDADRP CC(C)CC[C@H](O)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000923300456 644335126 /nfs/dbraw/zinc/33/51/26/644335126.db2.gz SLTCSRALXFFIKJ-QWHCGFSZSA-N 2 0 230.396 1.747 20 0 BDADRP C([C@@H]1CC2(C[NH2+]C2)CO1)[NH+]1CCCCCCC1 ZINC000923300507 644335255 /nfs/dbraw/zinc/33/52/55/644335255.db2.gz SZMJNUVFNQEODX-ZDUSSCGKSA-N 2 0 238.375 1.631 20 0 BDADRP CC(C)[C@@H](C)[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923306122 644340937 /nfs/dbraw/zinc/34/09/37/644340937.db2.gz QOZOTKLCPXFPMJ-NEPJUHHUSA-N 2 0 226.364 1.341 20 0 BDADRP CC(C)[C@@H]1CC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923317573 644342801 /nfs/dbraw/zinc/34/28/01/644342801.db2.gz FJIZZLZORHRRQN-OLZOCXBDSA-N 2 0 238.375 1.343 20 0 BDADRP CCOC[C@@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923315926 644344941 /nfs/dbraw/zinc/34/49/41/644344941.db2.gz OANCKCKSAICXAB-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP CC[C@@H]1CCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923309056 644346686 /nfs/dbraw/zinc/34/66/86/644346686.db2.gz IXLYECFVRJYRIK-NEPJUHHUSA-N 2 0 224.348 1.239 20 0 BDADRP [NH3+]C1(C[NH2+]CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000923330513 644348572 /nfs/dbraw/zinc/34/85/72/644348572.db2.gz ADBLDGOIPXYIGZ-YHWZYXNKSA-N 3 0 237.391 1.378 20 0 BDADRP CCc1onc(C)c1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000923331927 644360543 /nfs/dbraw/zinc/36/05/43/644360543.db2.gz JKADCPABCDQIHT-DRZSPHRISA-N 2 0 249.358 1.715 20 0 BDADRP CCOCCOCC[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000923348983 644362095 /nfs/dbraw/zinc/36/20/95/644362095.db2.gz NBAQPAKHFPHTTJ-CYBMUJFWSA-N 2 0 244.379 1.100 20 0 BDADRP CC(C)Cc1ccc(CNC(C[NH3+])C[NH3+])cc1 ZINC000923351326 644368239 /nfs/dbraw/zinc/36/82/39/644368239.db2.gz IHHHOXMRUIZPEB-UHFFFAOYSA-N 2 0 235.375 1.261 20 0 BDADRP C[C@@H]1[C@@H]([NH3+])CCN1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923354981 644371892 /nfs/dbraw/zinc/37/18/92/644371892.db2.gz XRBWOBTZYZXKMH-JWURUJNWSA-N 2 0 237.391 1.329 20 0 BDADRP C[C@H]1C[N@H+](C)[C@@H](C)CN1CCC[NH2+]C1CC1 ZINC000923370159 644381259 /nfs/dbraw/zinc/38/12/59/644381259.db2.gz DDXCQLFFDCPWIV-RYUDHWBXSA-N 2 0 225.380 1.153 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]1NCCC[NH2+]C1CC1 ZINC000923370950 644383698 /nfs/dbraw/zinc/38/36/98/644383698.db2.gz SHRNZZQVEWXJAS-GFCCVEGCSA-N 2 0 225.380 1.106 20 0 BDADRP CC[C@H](O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000923360325 644385006 /nfs/dbraw/zinc/38/50/06/644385006.db2.gz ZZXBQIMSCGUNLP-IHRRRGAJSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@@H]1CCCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923373605 644389662 /nfs/dbraw/zinc/38/96/62/644389662.db2.gz QNQRPPLTVMODPN-OLZOCXBDSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]([NH3+])C[C@@H]2O)[C@H](C)C1 ZINC000923376356 644391729 /nfs/dbraw/zinc/39/17/29/644391729.db2.gz AHZIBVWUUCYXHF-NLMKBYRWSA-N 2 0 226.364 1.251 20 0 BDADRP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923376434 644391910 /nfs/dbraw/zinc/39/19/10/644391910.db2.gz AWDCEWYIXCJRSI-PEDHHIEDSA-N 2 0 240.391 1.641 20 0 BDADRP CSC[C@H](O)C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000923385389 644399596 /nfs/dbraw/zinc/39/95/96/644399596.db2.gz APDOCBFYKHQBSB-IJLUTSLNSA-N 2 0 246.420 1.160 20 0 BDADRP CC(C)CC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000923391914 644399983 /nfs/dbraw/zinc/39/99/83/644399983.db2.gz GRXAIOZNGAEZIO-AGIUHOORSA-N 2 0 228.380 1.595 20 0 BDADRP CC[N@H+](CCN)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923399478 644405252 /nfs/dbraw/zinc/40/52/52/644405252.db2.gz QERAVMLIRVRUHO-YHWZYXNKSA-N 2 0 225.380 1.188 20 0 BDADRP C(C[NH2+]C1CC1)CN1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000923415847 644408907 /nfs/dbraw/zinc/40/89/07/644408907.db2.gz WSDFFJGPIUPDAE-JSGCOSHPSA-N 2 0 237.391 1.202 20 0 BDADRP C(C[NH2+]C1CC1)CN1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000923415845 644409548 /nfs/dbraw/zinc/40/95/48/644409548.db2.gz WSDFFJGPIUPDAE-GXTWGEPZSA-N 2 0 237.391 1.202 20 0 BDADRP CC(C)CC[C@H](O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923410393 644410298 /nfs/dbraw/zinc/41/02/98/644410298.db2.gz GLKWHALVTNFDBQ-UPJWGTAASA-N 2 0 228.380 1.310 20 0 BDADRP C[N@@H+]1CC[C@H]2CN(CCC[NH2+]C3CC3)CC[C@@H]21 ZINC000923414087 644416516 /nfs/dbraw/zinc/41/65/16/644416516.db2.gz JNKRNKPIFSHILV-JSGCOSHPSA-N 2 0 237.391 1.155 20 0 BDADRP C[C@H](C[N@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O)C(C)(C)C ZINC000923423360 644418701 /nfs/dbraw/zinc/41/87/01/644418701.db2.gz BKRWXFBPXWXKPP-RHYQMDGZSA-N 2 0 228.380 1.451 20 0 BDADRP FC[C@@H]1CCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923425505 644418839 /nfs/dbraw/zinc/41/88/39/644418839.db2.gz ZPNNDTFWKJEJEE-RYUDHWBXSA-N 2 0 242.338 1.046 20 0 BDADRP C[C@@H]1CC[C@H](C[NH3+])N(CCC[NH2+]C2CC2)[C@H]1C ZINC000923424889 644419323 /nfs/dbraw/zinc/41/93/23/644419323.db2.gz UNZJDRARBCPWMC-MBNYWOFBSA-N 2 0 239.407 1.576 20 0 BDADRP FC[C@H]1CCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923425502 644419486 /nfs/dbraw/zinc/41/94/86/644419486.db2.gz ZPNNDTFWKJEJEE-NEPJUHHUSA-N 2 0 242.338 1.046 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]C[C@H](O)CC1CCCC1 ZINC000923422882 644419681 /nfs/dbraw/zinc/41/96/81/644419681.db2.gz URXRBSIDSBZJCY-JHJVBQTASA-N 2 0 240.391 1.643 20 0 BDADRP C[C@@H]1CN[C@@H](C)[C@H](C)[N@@H+]1CC1CC[NH2+]CC1 ZINC000923435921 644427613 /nfs/dbraw/zinc/42/76/13/644427613.db2.gz KVSKKVHLMHUQKH-WOPDTQHZSA-N 2 0 225.380 1.057 20 0 BDADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CCCF)CC2 ZINC000923452258 644441046 /nfs/dbraw/zinc/44/10/46/644441046.db2.gz SNIBPNFEDGQWNU-LLVKDONJSA-N 2 0 230.327 1.176 20 0 BDADRP CCc1ccc(CN2CCC[C@@]([NH3+])(CO)C2)cc1 ZINC000923474604 644453681 /nfs/dbraw/zinc/45/36/81/644453681.db2.gz UEZYUEITYXGADQ-HNNXBMFYSA-N 2 0 248.370 1.535 20 0 BDADRP Cc1ccc(CN2CCC[C@@]([NH3+])(CO)C2)c(C)c1 ZINC000923474730 644454698 /nfs/dbraw/zinc/45/46/98/644454698.db2.gz KDFFYVXHWUDVTL-HNNXBMFYSA-N 2 0 248.370 1.589 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](CCCc2ccncc2)C1 ZINC000923482390 644458924 /nfs/dbraw/zinc/45/89/24/644458924.db2.gz ZKFMZOUGQXIPHR-AWEZNQCLSA-N 2 0 233.359 1.685 20 0 BDADRP CN(CC[N@@H+]1CC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000923484111 644461497 /nfs/dbraw/zinc/46/14/97/644461497.db2.gz VRZUHTVVUASRLK-CQSZACIVSA-N 2 0 247.386 1.794 20 0 BDADRP CCOC(=O)[C@H](CC)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923496349 644462176 /nfs/dbraw/zinc/46/21/76/644462176.db2.gz HMVDQEBVHKXWBM-WOPDTQHZSA-N 2 0 242.363 1.245 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923495767 644462205 /nfs/dbraw/zinc/46/22/05/644462205.db2.gz XQCAEYHWVOUPAA-UONOGXRCSA-N 2 0 241.423 1.635 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cc(C3CC3)no2)CC[C@H]1C[NH3+] ZINC000923489403 644465790 /nfs/dbraw/zinc/46/57/90/644465790.db2.gz JNROOINFZBCKNR-PWSUYJOCSA-N 2 0 249.358 1.969 20 0 BDADRP Cc1cnccc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923490293 644465884 /nfs/dbraw/zinc/46/58/84/644465884.db2.gz MINIEARGFDZINX-STQMWFEESA-N 2 0 233.359 1.807 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccns2)CC[C@@H]1C[NH3+] ZINC000923492133 644468797 /nfs/dbraw/zinc/46/87/97/644468797.db2.gz WGEQKMQAHYPIBV-NXEZZACHSA-N 2 0 225.361 1.560 20 0 BDADRP Cc1c[nH]nc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923493718 644469359 /nfs/dbraw/zinc/46/93/59/644469359.db2.gz UMCLZBBCHLTLFW-QWRGUYRKSA-N 2 0 222.336 1.135 20 0 BDADRP CCc1ncc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)o1 ZINC000923493771 644469664 /nfs/dbraw/zinc/46/96/64/644469664.db2.gz VEKRNWSREHVWKS-MNOVXSKESA-N 2 0 237.347 1.654 20 0 BDADRP Cc1ccc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cn1 ZINC000923494124 644470487 /nfs/dbraw/zinc/47/04/87/644470487.db2.gz KNMUQTVMMRAPSV-SMDDNHRTSA-N 2 0 233.359 1.807 20 0 BDADRP C[C@H]1C[N@H+](CCOC2CC2)CC[C@H]1C[NH3+] ZINC000923494140 644470649 /nfs/dbraw/zinc/47/06/49/644470649.db2.gz VWSVTDASHBKGGH-QWRGUYRKSA-N 2 0 212.337 1.082 20 0 BDADRP Cc1cnc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)o1 ZINC000923500305 644472494 /nfs/dbraw/zinc/47/24/94/644472494.db2.gz NHVRKPULMVTGSL-ONGXEEELSA-N 2 0 223.320 1.400 20 0 BDADRP C[C@H]1C[N@H+](Cc2cccc(N)c2)CC[C@@H]1C[NH3+] ZINC000923501325 644475572 /nfs/dbraw/zinc/47/55/72/644475572.db2.gz QLIGTBIVCBLFOH-WCQYABFASA-N 2 0 233.359 1.686 20 0 BDADRP CCO[C@@H](C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)C1CC1 ZINC000923516287 644479408 /nfs/dbraw/zinc/47/94/08/644479408.db2.gz YBZBMLILEFLMFE-MJBXVCDLSA-N 2 0 238.375 1.343 20 0 BDADRP C=C/C=C\CC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516258 644479842 /nfs/dbraw/zinc/47/98/42/644479842.db2.gz WZXKPMBKLDKBAG-RSNNXLNZSA-N 2 0 206.333 1.660 20 0 BDADRP Cc1cnccc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515820 644480184 /nfs/dbraw/zinc/48/01/84/644480184.db2.gz NKMOZHZQGURUEK-UONOGXRCSA-N 2 0 231.343 1.431 20 0 BDADRP Cc1cncc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923515710 644480617 /nfs/dbraw/zinc/48/06/17/644480617.db2.gz KUNALCSDGDVMEF-UONOGXRCSA-N 2 0 231.343 1.431 20 0 BDADRP CC(C)CC[C@H](O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515850 644480802 /nfs/dbraw/zinc/48/08/02/644480802.db2.gz OPROINVVOLLRIH-MJBXVCDLSA-N 2 0 240.391 1.325 20 0 BDADRP OC[C@H]1CCCCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000923530973 644487872 /nfs/dbraw/zinc/48/78/72/644487872.db2.gz OCRJQFXBUPEATQ-QWHCGFSZSA-N 2 0 226.364 1.223 20 0 BDADRP C(CN1CC[C@@]2(C1)CCCC[NH2+]2)[C@@H]1CC[NH2+]C1 ZINC000923532280 644490688 /nfs/dbraw/zinc/49/06/88/644490688.db2.gz AHPBJRCXQFUAGP-UONOGXRCSA-N 2 0 237.391 1.204 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923531678 644490746 /nfs/dbraw/zinc/49/07/46/644490746.db2.gz VMTHEZIGJWALNB-RDBSUJKOSA-N 2 0 237.391 1.060 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCN1CCCCC1 ZINC000089145777 644536075 /nfs/dbraw/zinc/53/60/75/644536075.db2.gz KCCMDXPJTQCAIL-KBPBESRZSA-N 2 0 239.407 1.579 20 0 BDADRP CCN1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000089145504 644536104 /nfs/dbraw/zinc/53/61/04/644536104.db2.gz RXUXWUGHCRYSTH-HZSPNIEDSA-N 2 0 239.407 1.578 20 0 BDADRP Cc1cc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)nc(N)[nH+]1 ZINC000090795330 644606176 /nfs/dbraw/zinc/60/61/76/644606176.db2.gz YMNBTYAMECPSPR-NXEZZACHSA-N 2 0 235.335 1.262 20 0 BDADRP Cc1nc(C[N@@H+](C)C2CCC([NH3+])CC2)oc1C ZINC000091846998 644643018 /nfs/dbraw/zinc/64/30/18/644643018.db2.gz SSUMHTSNAVDIGD-UHFFFAOYSA-N 2 0 237.347 1.993 20 0 BDADRP CC[N@@H+]1CC[C@H](N(C)CC(OC)OC)[C@@H](C)C1 ZINC000249289646 644718760 /nfs/dbraw/zinc/71/87/60/644718760.db2.gz ABXPBXWGVYYDLN-RYUDHWBXSA-N 2 0 244.379 1.267 20 0 BDADRP CCOC[C@H](C)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000250463400 644760509 /nfs/dbraw/zinc/76/05/09/644760509.db2.gz AQCAWDUZUOJUBD-SRVKXCTJSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H](C)[C@H]1CCCO1 ZINC000251211272 644796999 /nfs/dbraw/zinc/79/69/99/644796999.db2.gz MLUAIXUIPBFLDD-FVCCEPFGSA-N 2 0 226.364 1.674 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H](C)[NH+](C)C ZINC000251205778 644797389 /nfs/dbraw/zinc/79/73/89/644797389.db2.gz LPMAQGBRHRTDQK-RDBSUJKOSA-N 2 0 241.423 1.837 20 0 BDADRP CC(C)OCC[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000251632877 644815656 /nfs/dbraw/zinc/81/56/56/644815656.db2.gz FNFHVNCETAGIOQ-NEPJUHHUSA-N 2 0 214.353 1.328 20 0 BDADRP CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000251752011 644820912 /nfs/dbraw/zinc/82/09/12/644820912.db2.gz LKIVFLXEFCMGGZ-YNEHKIRRSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cnc([C@H](C)O)s1 ZINC000843128195 644854419 /nfs/dbraw/zinc/85/44/19/644854419.db2.gz ILNYXEXCSBLPCJ-CIUDSAMLSA-N 2 0 243.376 1.412 20 0 BDADRP CC(C)(C)[C@H](C[NH3+])NC(=O)c1cccc(C[NH3+])c1 ZINC000841856359 645229946 /nfs/dbraw/zinc/22/99/46/645229946.db2.gz NDGGBVXWLLICHW-LBPRGKRZSA-N 2 0 249.358 1.249 20 0 BDADRP C[C@@H]1CNC[C@@H]([NH2+]CCCCCC[NH3+])C1 ZINC000843129630 645267841 /nfs/dbraw/zinc/26/78/41/645267841.db2.gz QTZOXYBDHFIIGX-RYUDHWBXSA-N 2 0 213.369 1.093 20 0 BDADRP C(CC1CC[NH2+]CC1)CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000843387720 645285886 /nfs/dbraw/zinc/28/58/86/645285886.db2.gz IINWAMJXHYYRRP-KGLIPLIRSA-N 3 0 237.391 1.060 20 0 BDADRP CC[C@@H]1COC[C@H]1[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000926573766 645291791 /nfs/dbraw/zinc/29/17/91/645291791.db2.gz PNZBZOLUZRJCFZ-MGPQQGTHSA-N 2 0 240.391 1.733 20 0 BDADRP CC[NH2+]CC(=O)Nc1ccc(C)cc1C[NH+](C)C ZINC000844187838 645316219 /nfs/dbraw/zinc/31/62/19/645316219.db2.gz OXZNSHQQAQENNG-UHFFFAOYSA-N 2 0 249.358 1.605 20 0 BDADRP C[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+](C)C)c(F)c1 ZINC000844187787 645316785 /nfs/dbraw/zinc/31/67/85/645316785.db2.gz KPGJSJFVMTYPPA-MRVPVSSYSA-N 2 0 239.294 1.173 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cn(C)cn1 ZINC000926665529 645345577 /nfs/dbraw/zinc/34/55/77/645345577.db2.gz GPQCNSUZGRDLJB-SDDRHHMPSA-N 2 0 236.363 1.411 20 0 BDADRP C[N@H+](CCCCCCC[NH3+])CC(C)(C)[NH3+] ZINC000852753517 645488057 /nfs/dbraw/zinc/48/80/57/645488057.db2.gz CPSWHCYZKXUKJB-UHFFFAOYSA-N 3 0 215.385 1.565 20 0 BDADRP CC(C)C[C@@H](O)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858117094 645670149 /nfs/dbraw/zinc/67/01/49/645670149.db2.gz ZQIIBKQOZWFFHN-CHWSQXEVSA-N 2 0 242.407 1.856 20 0 BDADRP Cn1cc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cn1 ZINC000925500832 645943290 /nfs/dbraw/zinc/94/32/90/645943290.db2.gz GTLZMKUXTLJNCK-NEPJUHHUSA-N 2 0 236.363 1.416 20 0 BDADRP CC[C@H](CO)[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000929276146 646057379 /nfs/dbraw/zinc/05/73/79/646057379.db2.gz OZDWSEZAZJXNKO-CQSZACIVSA-N 2 0 242.407 1.811 20 0 BDADRP CC[C@H](CO)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000929282201 646058373 /nfs/dbraw/zinc/05/83/73/646058373.db2.gz JAYYABNCLOYMOH-GFCCVEGCSA-N 2 0 214.353 1.031 20 0 BDADRP C[C@@H]1CC2(CC([NH2+]CCC[NH+](C)C)C2)CO1 ZINC000924540131 646058798 /nfs/dbraw/zinc/05/87/98/646058798.db2.gz VZEWGNGBOBITPR-PNESKVBLSA-N 2 0 226.364 1.485 20 0 BDADRP C[NH+](C)CCC[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000924539962 646059249 /nfs/dbraw/zinc/05/92/49/646059249.db2.gz NUOUTMPGZAWVNW-CQSZACIVSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000924854382 646119153 /nfs/dbraw/zinc/11/91/53/646119153.db2.gz MJYAOMSJGUEKNG-ITGUQSILSA-N 2 0 228.380 1.589 20 0 BDADRP C[C@@H]1[C@@H]([NH2+]C[C@@H]2CCCn3ccnc32)CO[C@H]1C ZINC000925170149 646199624 /nfs/dbraw/zinc/19/96/24/646199624.db2.gz LDKJFQHPUQNWJA-CYDGBPFRSA-N 2 0 249.358 1.774 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@]1(C)CCCO1 ZINC000925247897 646219814 /nfs/dbraw/zinc/21/98/14/646219814.db2.gz CSIFGDIHWILSAO-QNMSZWNNSA-N 2 0 238.375 1.485 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)C(C)(C)CO)CC1 ZINC000925304404 646233359 /nfs/dbraw/zinc/23/33/59/646233359.db2.gz UCYYVWLIPBHSQR-LBPRGKRZSA-N 2 0 242.407 1.856 20 0 BDADRP CC[C@H](CO)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000929717939 646270654 /nfs/dbraw/zinc/27/06/54/646270654.db2.gz BCZANSIRNVVVQJ-UONOGXRCSA-N 2 0 240.391 1.565 20 0 BDADRP CC[C@H](CO)[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000929750235 646283064 /nfs/dbraw/zinc/28/30/64/646283064.db2.gz SXVPIRORITUQIQ-QWHCGFSZSA-N 2 0 228.380 1.421 20 0 BDADRP CSCCC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925504305 646306897 /nfs/dbraw/zinc/30/68/97/646306897.db2.gz NUDBEMMOTQEXRR-VIFPVBQESA-N 2 0 202.367 1.470 20 0 BDADRP CC1(C)C[C@@H]([NH2+]C2CCOCC2)C[C@@H]([NH3+])C1 ZINC000925483771 646294775 /nfs/dbraw/zinc/29/47/75/646294775.db2.gz YHMRWUZSZGOMTL-PWSUYJOCSA-N 2 0 226.364 1.661 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925482118 646295511 /nfs/dbraw/zinc/29/55/11/646295511.db2.gz LFMXJOLOYSMHDI-USZNOCQGSA-N 2 0 226.364 1.253 20 0 BDADRP CC[NH+](CC)CCN[C@H]1CC[NH2+]C1(C)C ZINC000925500482 646303330 /nfs/dbraw/zinc/30/33/30/646303330.db2.gz CVRKMFZIMVINQT-NSHDSACASA-N 2 0 213.369 1.058 20 0 BDADRP C[C@@H]([NH3+])[C@@H](NCCC[NH+](C)C)c1ccccc1 ZINC000925500655 646304538 /nfs/dbraw/zinc/30/45/38/646304538.db2.gz DJNIYLKMQTWAQR-TZMCWYRMSA-N 2 0 235.375 1.616 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925519891 646310521 /nfs/dbraw/zinc/31/05/21/646310521.db2.gz KEXVINQMZPIRQM-STQMWFEESA-N 3 0 241.423 1.824 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2CC[NH2+]C2(C)C)CC[N@@H+]1C ZINC000925519598 646310856 /nfs/dbraw/zinc/31/08/56/646310856.db2.gz UVGZGFQSKJZRTO-UTUOFQBUSA-N 2 0 225.380 1.199 20 0 BDADRP CC(C)C[C@@H](CN[C@@H]1CC[NH2+]C1(C)C)[NH+](C)C ZINC000925536665 646314445 /nfs/dbraw/zinc/31/44/45/646314445.db2.gz QELCTIKDUMYTPB-QWHCGFSZSA-N 2 0 241.423 1.693 20 0 BDADRP [NH3+]CCC[C@H]([NH2+]CC1(CO)CC1)c1ccccc1 ZINC000925527877 646317330 /nfs/dbraw/zinc/31/73/30/646317330.db2.gz AJKROTNFTKJBNB-AWEZNQCLSA-N 2 0 248.370 1.829 20 0 BDADRP C(C[NH+]1CCCCC1)N[C@H]1CC[NH2+]C12CCC2 ZINC000925531806 646319532 /nfs/dbraw/zinc/31/95/32/646319532.db2.gz AJORPXMVGWESJK-ZDUSSCGKSA-N 2 0 237.391 1.347 20 0 BDADRP c1cnn(CCC[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000925534512 646320140 /nfs/dbraw/zinc/32/01/40/646320140.db2.gz XCQNFRVYPNYWJE-CYBMUJFWSA-N 2 0 248.374 1.538 20 0 BDADRP CC(C)[N@H+](C)CCN[C@@H]1CC[NH2+]C1(C)C ZINC000925555393 646331520 /nfs/dbraw/zinc/33/15/20/646331520.db2.gz FHULGCFPKXAZIP-LLVKDONJSA-N 2 0 213.369 1.057 20 0 BDADRP CC[N@H+](CCN[C@@H]1C[C@H]([NH3+])C12CCC2)C(C)C ZINC000925557253 646333992 /nfs/dbraw/zinc/33/39/92/646333992.db2.gz NCCDDPKJHUSWNB-QWHCGFSZSA-N 2 0 239.407 1.576 20 0 BDADRP C[N@@H+]1CCC[C@@H](CN[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925558576 646334145 /nfs/dbraw/zinc/33/41/45/646334145.db2.gz TVGDOLWSIMNKSX-NWDGAFQWSA-N 2 0 225.380 1.058 20 0 BDADRP CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925604117 646356029 /nfs/dbraw/zinc/35/60/29/646356029.db2.gz HTJORNCUTFHXEC-AGIUHOORSA-N 2 0 240.391 1.778 20 0 BDADRP CC[C@@](C)(O)C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925609219 646358603 /nfs/dbraw/zinc/35/86/03/646358603.db2.gz QRGGMOWFICLVLB-GFQSEFKGSA-N 2 0 240.391 1.514 20 0 BDADRP CC1(C)C[C@@H]([NH2+]CC2(O)CCC2)C[C@@H]([NH3+])C1 ZINC000925610033 646360237 /nfs/dbraw/zinc/36/02/37/646360237.db2.gz YPFVWLZXJQACKJ-MNOVXSKESA-N 2 0 226.364 1.397 20 0 BDADRP C[C@H](CCO)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925611395 646360957 /nfs/dbraw/zinc/36/09/57/646360957.db2.gz MJOAWWOOTRNXER-MXWKQRLJSA-N 2 0 214.353 1.253 20 0 BDADRP CC(C)(CCCO)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925614452 646362014 /nfs/dbraw/zinc/36/20/14/646362014.db2.gz IWDTXZHWKSNXSF-GFCCVEGCSA-N 2 0 240.391 1.659 20 0 BDADRP CC(C)C[C@H](CO)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925613084 646362780 /nfs/dbraw/zinc/36/27/80/646362780.db2.gz PEVJJLJKSHKVHN-RWMBFGLXSA-N 2 0 242.407 1.889 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C2(C)C)CCO1 ZINC000925631160 646369889 /nfs/dbraw/zinc/36/98/89/646369889.db2.gz SWDPTUNMPQCKAY-OUAUKWLOSA-N 2 0 212.337 1.284 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CC1(C)CCOCC1 ZINC000925626214 646372088 /nfs/dbraw/zinc/37/20/88/646372088.db2.gz LSPUUOZQFWNURX-NSHDSACASA-N 2 0 226.364 1.533 20 0 BDADRP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)[C@@H]1CCCO1 ZINC000925626289 646372839 /nfs/dbraw/zinc/37/28/39/646372839.db2.gz PJBJDEDSXMOKRK-ZDEQEGDKSA-N 2 0 238.375 1.804 20 0 BDADRP C[C@@H](CO)CCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925630047 646374282 /nfs/dbraw/zinc/37/42/82/646374282.db2.gz PYDWSHOPJKOGHM-NEPJUHHUSA-N 2 0 226.364 1.269 20 0 BDADRP C[C@@H](O)C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925629288 646374606 /nfs/dbraw/zinc/37/46/06/646374606.db2.gz IPBKKDKOVLQIOX-KGYLQXTDSA-N 2 0 226.364 1.125 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000925637874 646381799 /nfs/dbraw/zinc/38/17/99/646381799.db2.gz UHVYBIJJKRVPGU-YNEHKIRRSA-N 2 0 240.391 1.909 20 0 BDADRP CC1(C)C[C@@H]([NH2+]CCC2CC(O)C2)C[C@@H]([NH3+])C1 ZINC000925651559 646391384 /nfs/dbraw/zinc/39/13/84/646391384.db2.gz GEGLOHWWTFTMGP-QBHFIFKDSA-N 2 0 240.391 1.643 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCCCCO)C1 ZINC000925653849 646392902 /nfs/dbraw/zinc/39/29/02/646392902.db2.gz OYWRRELLRCPOHG-VXGBXAGGSA-N 2 0 228.380 1.645 20 0 BDADRP OCCCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925656227 646393688 /nfs/dbraw/zinc/39/36/88/646393688.db2.gz JBKROEWPUYEISY-UONOGXRCSA-N 2 0 240.391 1.517 20 0 BDADRP [NH3+]CCC[C@H]([NH2+]CCCCO)c1ccccc1 ZINC000925659214 646397013 /nfs/dbraw/zinc/39/70/13/646397013.db2.gz XEYVHGTWNQSKBR-AWEZNQCLSA-N 2 0 236.359 1.829 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCc3nc[nH]c3C2)C12CCC2 ZINC000925667201 646399031 /nfs/dbraw/zinc/39/90/31/646399031.db2.gz AORDABWWLNXTIQ-OASPWFOLSA-N 2 0 246.358 1.127 20 0 BDADRP C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925670546 646401083 /nfs/dbraw/zinc/40/10/83/646401083.db2.gz LXNGXPSMGPSITR-JHJVBQTASA-N 2 0 238.375 1.533 20 0 BDADRP C[C@H]1NCCC[C@@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000925686507 646412446 /nfs/dbraw/zinc/41/24/46/646412446.db2.gz VPTDVHTUQYKRNA-OCCSQVGLSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@H]1[NH2+]CCC[C@@H]1NCC[N@@H+]1CCCC1(C)C ZINC000925686697 646412476 /nfs/dbraw/zinc/41/24/76/646412476.db2.gz XRKQTUCGAPEUCV-OLZOCXBDSA-N 2 0 239.407 1.591 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CC[NH2+]C2(C)C)C1 ZINC000925685460 646412793 /nfs/dbraw/zinc/41/27/93/646412793.db2.gz ITSOARPVCDSJKX-OLZOCXBDSA-N 3 0 239.407 1.448 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CCC[C@H]1CCOC1 ZINC000925688475 646414269 /nfs/dbraw/zinc/41/42/69/646414269.db2.gz PUWQLESHONRTLE-NWDGAFQWSA-N 2 0 226.364 1.533 20 0 BDADRP CCC1(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)COC1 ZINC000925688830 646415109 /nfs/dbraw/zinc/41/51/09/646415109.db2.gz QJMGZYVDHPKDAM-GFCCVEGCSA-N 2 0 238.375 1.677 20 0 BDADRP CC[NH2+]CCCN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925690517 646415797 /nfs/dbraw/zinc/41/57/97/646415797.db2.gz KDLYGDIPIHKQEW-GFCCVEGCSA-N 2 0 225.380 1.250 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H](NC[C@@H]2CCC[NH2+]C2)C1 ZINC000925691085 646416580 /nfs/dbraw/zinc/41/65/80/646416580.db2.gz IJTYDZBFTCMEJE-JHJVBQTASA-N 2 0 239.407 1.482 20 0 BDADRP CC[NH2+]CCN[C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925689487 646417039 /nfs/dbraw/zinc/41/70/39/646417039.db2.gz ANJREJPSXROJNT-DGCLKSJQSA-N 2 0 221.348 1.274 20 0 BDADRP CC1(C)C[C@@H](NC[C@H]2CCCC[NH2+]2)C[C@@H]([NH3+])C1 ZINC000925692541 646418358 /nfs/dbraw/zinc/41/83/58/646418358.db2.gz MIGRCXQANPQBIP-UPJWGTAASA-N 2 0 239.407 1.624 20 0 BDADRP C(C[NH2+]C1CC1)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000925691820 646418486 /nfs/dbraw/zinc/41/84/86/646418486.db2.gz KBAKFSVKOAZLRZ-GFCCVEGCSA-N 2 0 223.364 1.003 20 0 BDADRP CC(C)([NH3+])CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925696865 646421387 /nfs/dbraw/zinc/42/13/87/646421387.db2.gz BPUMVEYMPNZUIJ-OUAUKWLOSA-N 2 0 225.380 1.090 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925696345 646421997 /nfs/dbraw/zinc/42/19/97/646421997.db2.gz ZPRQXOJZVXCGHY-SDDRHHMPSA-N 2 0 227.396 1.465 20 0 BDADRP C[NH2+][C@H](C)CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925697829 646422986 /nfs/dbraw/zinc/42/29/86/646422986.db2.gz AWLQNVJRLMNGOL-KWCYVHTRSA-N 2 0 239.407 1.352 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000925703647 646424393 /nfs/dbraw/zinc/42/43/93/646424393.db2.gz DOQPHWUJTROYQR-RYUDHWBXSA-N 3 0 225.380 1.249 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCC2CC[NH2+]CC2)C12CCC2 ZINC000925702047 646425350 /nfs/dbraw/zinc/42/53/50/646425350.db2.gz JWBJHEUTRFIGHD-CHWSQXEVSA-N 3 0 237.391 1.236 20 0 BDADRP C[C@H]([NH3+])[C@H](N[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000925700432 646425495 /nfs/dbraw/zinc/42/54/95/646425495.db2.gz PMDBFEZEFAGNLF-CFVMTHIKSA-N 2 0 247.386 1.807 20 0 BDADRP CC[C@H]([NH3+])CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925703696 646426466 /nfs/dbraw/zinc/42/64/66/646426466.db2.gz FCVJWAPDQLCAFV-USZNOCQGSA-N 2 0 225.380 1.090 20 0 BDADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)C(C)(C)CO ZINC000925704433 646429628 /nfs/dbraw/zinc/42/96/28/646429628.db2.gz GYTTUEUYRGHBPX-LLVKDONJSA-N 2 0 226.364 1.245 20 0 BDADRP CC1(C)C[C@@H]([NH2+]C/C=C\CO)C[C@@H]([NH3+])C1 ZINC000925710355 646433870 /nfs/dbraw/zinc/43/38/70/646433870.db2.gz WTQMKBNMIKBNEC-CJOPTALJSA-N 2 0 212.337 1.031 20 0 BDADRP CC[C@@H](O)C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925709843 646434277 /nfs/dbraw/zinc/43/42/77/646434277.db2.gz OSVKUIGAZXRPPU-RDBSUJKOSA-N 2 0 240.391 1.515 20 0 BDADRP COCC1(CC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925711222 646437532 /nfs/dbraw/zinc/43/75/32/646437532.db2.gz XLXNGESXZHPYRV-NWDGAFQWSA-N 2 0 238.375 1.663 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925712872 646439065 /nfs/dbraw/zinc/43/90/65/646439065.db2.gz VSNCXXJERYPJEL-GRYCIOLGSA-N 3 0 227.396 1.609 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1CC13CC[NH2+]CC3)[NH2+]2 ZINC000925713371 646439741 /nfs/dbraw/zinc/43/97/41/646439741.db2.gz XSXQEUYXQVWSGT-ITGHMWBKSA-N 3 0 249.402 1.247 20 0 BDADRP C[NH2+]C[C@H](C)N[C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925715209 646440651 /nfs/dbraw/zinc/44/06/51/646440651.db2.gz ASLIRJVIUFCAIH-GVXVVHGQSA-N 2 0 221.348 1.272 20 0 BDADRP CC(C)CC[C@H](CO)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925718140 646441927 /nfs/dbraw/zinc/44/19/27/646441927.db2.gz HJHBZACPRGANJE-JHJVBQTASA-N 2 0 240.391 1.643 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925717778 646442239 /nfs/dbraw/zinc/44/22/39/646442239.db2.gz IBJSWJADWPAAQB-CKIKVBCHSA-N 2 0 237.391 1.103 20 0 BDADRP C[C@@H]1CC[C@@H](N[C@H]2CC[NH2+]C23CCC3)C[NH2+]1 ZINC000925717437 646442613 /nfs/dbraw/zinc/44/26/13/646442613.db2.gz JPIHGGNMPSVRLX-UTUOFQBUSA-N 2 0 223.364 1.001 20 0 BDADRP C[C@@H]([NH3+])[C@@H](N[C@@H]1CC[NH2+][C@H]1C)c1ccccc1 ZINC000925719838 646445008 /nfs/dbraw/zinc/44/50/08/646445008.db2.gz UWWAEULSSNSIEX-ZMJPVWNMSA-N 2 0 233.359 1.415 20 0 BDADRP CC(C)(F)CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925724130 646449862 /nfs/dbraw/zinc/44/98/62/646449862.db2.gz GYPLZBPWUQKXQY-SNVBAGLBSA-N 2 0 214.328 1.999 20 0 BDADRP CCc1ncc(C[N@H+](C)CCCn2ccnc2)o1 ZINC000930128172 646449973 /nfs/dbraw/zinc/44/99/73/646449973.db2.gz ZRXQRMAZWQCJLB-UHFFFAOYSA-N 2 0 248.330 1.956 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[NH2+]C1(C)C)C1CC[NH2+]CC1 ZINC000925727048 646450263 /nfs/dbraw/zinc/45/02/63/646450263.db2.gz CBEPKXSQUYYCQR-JQWIXIFHSA-N 2 0 225.380 1.105 20 0 BDADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925726611 646452320 /nfs/dbraw/zinc/45/23/20/646452320.db2.gz URWNAXHJPDWMLU-JHJVBQTASA-N 3 0 237.391 1.378 20 0 BDADRP Nc1cc(F)cc(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925731764 646456845 /nfs/dbraw/zinc/45/68/45/646456845.db2.gz UYQRQZOYDUCLEA-OLZOCXBDSA-N 2 0 249.333 1.767 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)C1CC[NH2+]CC1 ZINC000925731237 646457047 /nfs/dbraw/zinc/45/70/47/646457047.db2.gz ZLAWEUZHOQCNOO-YPMHNXCESA-N 3 0 237.391 1.249 20 0 BDADRP CC[C@@H]([NH2+]C[C@H]1C[C@H](OC)C1)[C@@H]1CCC[NH2+]1 ZINC000925735346 646457586 /nfs/dbraw/zinc/45/75/86/646457586.db2.gz DTLQLNYDLLROSL-LPWJVIDDSA-N 2 0 226.364 1.532 20 0 BDADRP Cc1nn(C)cc1[C@H](C)[NH2+]CCC(C)(C)[NH3+] ZINC000925741480 646458660 /nfs/dbraw/zinc/45/86/60/646458660.db2.gz SECFPJJKIXICPX-VIFPVBQESA-N 2 0 224.352 1.507 20 0 BDADRP CC[C@H](CO)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000930147172 646458955 /nfs/dbraw/zinc/45/89/55/646458955.db2.gz ZXLKEPQDRFAIPR-CQSZACIVSA-N 2 0 242.407 1.811 20 0 BDADRP Cc1n[nH]cc1[C@@H](C)[NH2+]CCC(C)(C)[NH3+] ZINC000925739757 646462867 /nfs/dbraw/zinc/46/28/67/646462867.db2.gz FEYASAAAMYCQBU-MRVPVSSYSA-N 2 0 210.325 1.496 20 0 BDADRP C[C@H]1C[C@@H](NCCC(C)(C)[NH3+])C[N@@H+]1C1CC1 ZINC000925742698 646464572 /nfs/dbraw/zinc/46/45/72/646464572.db2.gz XBKTYOSRPLILON-WDEREUQCSA-N 2 0 225.380 1.329 20 0 BDADRP CCC1([NH3+])CCN([C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000925759022 646466132 /nfs/dbraw/zinc/46/61/32/646466132.db2.gz GOVPPGWZCSSXCQ-WDEREUQCSA-N 2 0 211.353 1.070 20 0 BDADRP Nc1cc[nH+]c(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000925769931 646470906 /nfs/dbraw/zinc/47/09/06/646470906.db2.gz CYNCBHULOLCHAV-TZMCWYRMSA-N 2 0 246.358 1.380 20 0 BDADRP CC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])[C@@H]1CCCOC1 ZINC000925770504 646470936 /nfs/dbraw/zinc/47/09/36/646470936.db2.gz VELGXGJWEXPZIG-LPWJVIDDSA-N 2 0 228.380 1.907 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CC[C@H]1CCCO1 ZINC000925773560 646472929 /nfs/dbraw/zinc/47/29/29/646472929.db2.gz DEOZPXZMRLMUES-IJLUTSLNSA-N 2 0 212.337 1.273 20 0 BDADRP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000925773197 646473166 /nfs/dbraw/zinc/47/31/66/646473166.db2.gz MMCSCHGZXNIFLO-LYUGOTMTSA-N 2 0 208.349 1.748 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C ZINC000925773809 646473889 /nfs/dbraw/zinc/47/38/89/646473889.db2.gz PLASMWVQCPIWBF-KQAFNVIJSA-N 2 0 210.365 1.994 20 0 BDADRP Cc1nc(C)c(CN2CC[N@@H+](C)[C@@H](C)[C@H]2C)[nH]1 ZINC000930177982 646479026 /nfs/dbraw/zinc/47/90/26/646479026.db2.gz RLHFSFMOWPEASP-WDEREUQCSA-N 2 0 236.363 1.551 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000925786681 646483769 /nfs/dbraw/zinc/48/37/69/646483769.db2.gz UINZTBUQTWAADK-ICGCDAGXSA-N 2 0 231.343 1.329 20 0 BDADRP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cnn(C)c1 ZINC000925791723 646484754 /nfs/dbraw/zinc/48/47/54/646484754.db2.gz ROCRNTPYXQSEJD-NTZNESFSSA-N 2 0 236.363 1.316 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)C1CC[NH+](C)CC1 ZINC000925790355 646485106 /nfs/dbraw/zinc/48/51/06/646485106.db2.gz HLGLXZKXHDPWTL-BZPMIXESSA-N 3 0 239.407 1.162 20 0 BDADRP COC[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)C(C)C ZINC000925788947 646485153 /nfs/dbraw/zinc/48/51/53/646485153.db2.gz DTVCVULIYCFJNI-GRYCIOLGSA-N 2 0 214.353 1.103 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000925804028 646488994 /nfs/dbraw/zinc/48/89/94/646488994.db2.gz YATULNPKXVLUDT-SYQHCUMBSA-N 3 0 239.407 1.210 20 0 BDADRP CN(C)c1cc[nH+]c(CN[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000925807835 646489511 /nfs/dbraw/zinc/48/95/11/646489511.db2.gz DLHBYEFUBRODFK-CHWSQXEVSA-N 2 0 234.347 1.117 20 0 BDADRP C[C@H](NCc1cc(N(C)C)cc[nH+]1)[C@H]1CC[NH2+]C1 ZINC000925813543 646491862 /nfs/dbraw/zinc/49/18/62/646491862.db2.gz UYXWNVHVQFJVAL-RYUDHWBXSA-N 2 0 248.374 1.235 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925839678 646507053 /nfs/dbraw/zinc/50/70/53/646507053.db2.gz JAJIWZLSKBEOMF-AAVRWANBSA-N 2 0 237.391 1.236 20 0 BDADRP COCCC[C@@H](C)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925844494 646508189 /nfs/dbraw/zinc/50/81/89/646508189.db2.gz SXABYPOTYDXZPG-MGPQQGTHSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H]1CC[NH2+]C[C@H]1NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925841531 646508523 /nfs/dbraw/zinc/50/85/23/646508523.db2.gz PTWSLLFRUQHSEM-REWJHTLYSA-N 2 0 237.391 1.106 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925859790 646513035 /nfs/dbraw/zinc/51/30/35/646513035.db2.gz SCCGDJZRJUUCIS-SNIKSBKOSA-N 2 0 238.375 1.124 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2[NH3+])CCS1 ZINC000925862054 646515076 /nfs/dbraw/zinc/51/50/76/646515076.db2.gz WQYPAVGBETXPRV-ZNSHCXBVSA-N 2 0 214.378 1.740 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[NH3+])CCS1 ZINC000925862053 646515476 /nfs/dbraw/zinc/51/54/76/646515476.db2.gz WQYPAVGBETXPRV-GWOFURMSSA-N 2 0 214.378 1.740 20 0 BDADRP Cn1nc(C2CC2)cc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000925873618 646524419 /nfs/dbraw/zinc/52/44/19/646524419.db2.gz KKRALQMEBASLAY-WCQYABFASA-N 2 0 248.374 1.515 20 0 BDADRP COC[C@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)C(C)C ZINC000925872935 646524744 /nfs/dbraw/zinc/52/47/44/646524744.db2.gz BNWCDTRIAGESQK-MCIONIFRSA-N 2 0 242.407 1.883 20 0 BDADRP CCOCCOCC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000925875325 646525942 /nfs/dbraw/zinc/52/59/42/646525942.db2.gz QUSYGKUAOXXFJO-OLZOCXBDSA-N 2 0 244.379 1.017 20 0 BDADRP CCOCCOCC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000925875383 646526303 /nfs/dbraw/zinc/52/63/03/646526303.db2.gz SGQUOXIEFSHSKY-STQMWFEESA-N 2 0 244.379 1.017 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)[C@H](C)O1 ZINC000925879285 646529924 /nfs/dbraw/zinc/52/99/24/646529924.db2.gz AIAOPWVCHKBWCE-CSYMLDBXSA-N 2 0 212.337 1.269 20 0 BDADRP C[C@H]([NH2+]C1([C@H]2CCCCO2)CC1)[C@@H]1CC[NH2+]C1 ZINC000925893204 646534951 /nfs/dbraw/zinc/53/49/51/646534951.db2.gz MZABUVHNUMVDDI-YNEHKIRRSA-N 2 0 238.375 1.676 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000925893116 646535086 /nfs/dbraw/zinc/53/50/86/646535086.db2.gz LHTUHWOMLSIKRZ-QJPTWQEYSA-N 2 0 226.364 1.804 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC(C)(F)F ZINC000926496044 646662209 /nfs/dbraw/zinc/66/22/09/646662209.db2.gz YQZVRDORRRGUTM-ZACCUICWSA-N 2 0 232.318 1.962 20 0 BDADRP Cc1cn(C)nc1C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723886003 711543350 /nfs/dbraw/zinc/54/33/50/711543350.db2.gz FSEHRANIZNZKFC-ZYHUDNBSSA-N 2 0 236.363 1.145 20 0 BDADRP Cc1nnsc1C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723907378 711544863 /nfs/dbraw/zinc/54/48/63/711544863.db2.gz AUPCSSUBNFRZGT-PSASIEDQSA-N 2 0 240.376 1.263 20 0 BDADRP FCCCCC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000393791315 711678452 /nfs/dbraw/zinc/67/84/52/711678452.db2.gz JCFCKGZRIZEJDE-NWDGAFQWSA-N 2 0 214.328 1.668 20 0 BDADRP C[NH2+]C[C@H](C)N[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925718042 711713528 /nfs/dbraw/zinc/71/35/28/711713528.db2.gz VTJJZAXPFLFTDM-FPMFFAJLSA-N 2 0 239.407 1.352 20 0 BDADRP COC[C@@H](C[N@@H+]1CCC[C@@H](CC[NH3+])C1)C(C)C ZINC000721965238 711845227 /nfs/dbraw/zinc/84/52/27/711845227.db2.gz YSLBHDNDSHAISQ-UONOGXRCSA-N 2 0 242.407 1.966 20 0 BDADRP COCC(C)(C)C[NH2+]CC[C@@H](C)[NH+](C)C ZINC000700607526 712001276 /nfs/dbraw/zinc/00/12/76/712001276.db2.gz RNHDIBQZEKUEIR-LLVKDONJSA-N 2 0 216.369 1.589 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC[C@@H]2CC2(F)F)C12CCC2 ZINC000701949835 712033114 /nfs/dbraw/zinc/03/31/14/712033114.db2.gz FMQSLMASFOINNS-OPRDCNLKSA-N 2 0 230.302 1.891 20 0 BDADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCCC1CC1)C2 ZINC000702102998 712039150 /nfs/dbraw/zinc/03/91/50/712039150.db2.gz ADRNRFFLFAOGLK-QWHCGFSZSA-N 2 0 208.349 1.718 20 0 BDADRP C[N@H+]1CC=C(C[NH2+]C2CCC(C)(O)CC2)CC1 ZINC000703010016 712064384 /nfs/dbraw/zinc/06/43/84/712064384.db2.gz PBZKVGSXYZIYIK-UHFFFAOYSA-N 2 0 238.375 1.532 20 0 BDADRP COC1CC(C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)C1 ZINC000703155157 712066509 /nfs/dbraw/zinc/06/65/09/712066509.db2.gz BCGNAHINEUNTIT-WFBLGPOFSA-N 2 0 212.337 1.127 20 0 BDADRP COC1CC(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)C1 ZINC000703161177 712067315 /nfs/dbraw/zinc/06/73/15/712067315.db2.gz BQLNGAJZZHUPPT-VOBJUBJWSA-N 2 0 212.337 1.223 20 0 BDADRP C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)CC1CCOCC1 ZINC000703587655 712079965 /nfs/dbraw/zinc/07/99/65/712079965.db2.gz BOTBZEJOQBQMPN-TXEJJXNPSA-N 2 0 212.337 1.082 20 0 BDADRP COC1CC(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000703844841 712091091 /nfs/dbraw/zinc/09/10/91/712091091.db2.gz DCRXZPULRQKHLJ-UZEXVOJHSA-N 2 0 212.337 1.081 20 0 BDADRP COC1CC(C[NH+]2CCC([C@H](C)[NH3+])CC2)C1 ZINC000703909127 712094136 /nfs/dbraw/zinc/09/41/36/712094136.db2.gz PHHBIZUBQXTRFO-ZBOXLXRLSA-N 2 0 226.364 1.471 20 0 BDADRP CN1CCC([NH2+]CC[C@@H]2CCSC2)CC1 ZINC000704816349 712118516 /nfs/dbraw/zinc/11/85/16/712118516.db2.gz VIGHMECQESQJDT-LLVKDONJSA-N 2 0 228.405 1.813 20 0 BDADRP C[C@H]1CC[C@H]([NH2+]C2CC([NH+](C)C)C2)CS1 ZINC000706078529 712139776 /nfs/dbraw/zinc/13/97/76/712139776.db2.gz ILMFRUZAEAFTQI-JYBOHDQNSA-N 2 0 228.405 1.953 20 0 BDADRP CC(C)[C@@H]1C[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)CCS1 ZINC000707208942 712166207 /nfs/dbraw/zinc/16/62/07/712166207.db2.gz QZJBJUJMUNHTTJ-AGIUHOORSA-N 2 0 242.432 1.915 20 0 BDADRP C[C@@H](C[NH+]1CCC(O)(C[NH3+])CC1)CC(C)(C)C ZINC000709179018 712203287 /nfs/dbraw/zinc/20/32/87/712203287.db2.gz SKHFDUUVRIPIIF-GFCCVEGCSA-N 2 0 242.407 1.844 20 0 BDADRP C[C@H](C(=O)NC1CC1)[N@H+](C)CCCCCC[NH3+] ZINC000710752257 712256584 /nfs/dbraw/zinc/25/65/84/712256584.db2.gz XZUUNQKKVPHACN-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP C[NH+](C)CC1(O)CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000710663375 712265566 /nfs/dbraw/zinc/26/55/66/712265566.db2.gz DPQKIEHLQFNORL-CYBMUJFWSA-N 2 0 238.375 1.484 20 0 BDADRP CC[NH+]1CCC(N[C@@H]2CCC2(OC)OC)CC1 ZINC000710959104 712268433 /nfs/dbraw/zinc/26/84/33/712268433.db2.gz KTMJSIQTNMQWJU-GFCCVEGCSA-N 2 0 242.363 1.212 20 0 BDADRP FC[C@@H]1CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000711440265 712300706 /nfs/dbraw/zinc/30/07/06/712300706.db2.gz DBOCEWLKUXCOCZ-RYUDHWBXSA-N 2 0 242.338 1.189 20 0 BDADRP C[C@]1(C[N@@H+]2CCC[C@@H](CF)C2)CC[NH2+]C1 ZINC000711454822 712303753 /nfs/dbraw/zinc/30/37/53/712303753.db2.gz NKDZCOTZKJSTFP-RYUDHWBXSA-N 2 0 214.328 1.668 20 0 BDADRP C([C@@H]1CCCC[NH2+]C1)[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711532708 712309812 /nfs/dbraw/zinc/30/98/12/712309812.db2.gz FURCSTSUMCKTPR-UPJWGTAASA-N 2 0 240.416 1.671 20 0 BDADRP C[C@@H]1CN[C@@H](C)[C@@H](C)[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000923435000 712322195 /nfs/dbraw/zinc/32/21/95/712322195.db2.gz CUNQWPPCVADDEK-MLGHIDQZSA-N 2 0 225.380 1.185 20 0 BDADRP CC[NH+](CC)CCCN1[C@H](C)C[NH2+][C@H](C)[C@H]1C ZINC000923435185 712322305 /nfs/dbraw/zinc/32/23/05/712322305.db2.gz FUUUOMCHXSZFNA-MGPQQGTHSA-N 2 0 241.423 1.789 20 0 BDADRP CCOCC[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714432424 712486308 /nfs/dbraw/zinc/48/63/08/712486308.db2.gz YQCJAJDEAKLPQR-UHFFFAOYSA-N 2 0 228.380 1.720 20 0 BDADRP CC1([NH3+])CC[NH+](C[C@@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000715401208 712517253 /nfs/dbraw/zinc/51/72/53/712517253.db2.gz HRUDDNGPERWPLC-STQMWFEESA-N 2 0 238.375 1.757 20 0 BDADRP C[NH+](C)C1(C)CCC([NH2+]C2CSC2)CC1 ZINC000715573897 712529116 /nfs/dbraw/zinc/52/91/16/712529116.db2.gz RFILYZYDUXVTPK-UHFFFAOYSA-N 2 0 228.405 1.954 20 0 BDADRP C[NH+](C)C1(C)CCC([NH2+]Cc2cn[nH]c2)CC1 ZINC000715585879 712527194 /nfs/dbraw/zinc/52/71/94/712527194.db2.gz YNTWKVDLWPEYCJ-UHFFFAOYSA-N 2 0 236.363 1.762 20 0 BDADRP C[C@@H]1NCCC[C@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715560379 712528365 /nfs/dbraw/zinc/52/83/65/712528365.db2.gz BLKSOUDDHNYKOP-GFJIZPEISA-N 2 0 239.407 1.589 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)CC[NH+](C)C ZINC000379844659 712616572 /nfs/dbraw/zinc/61/65/72/712616572.db2.gz HORBBQQQXNBWIY-QJPTWQEYSA-N 2 0 214.353 1.484 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCC=CO1 ZINC000380004464 712651923 /nfs/dbraw/zinc/65/19/23/712651923.db2.gz BEWNBMLCSGTCKS-VXGBXAGGSA-N 2 0 212.337 1.786 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC=CO1 ZINC000380214214 712727238 /nfs/dbraw/zinc/72/72/38/712727238.db2.gz IXPSJYMGLPOVSU-RWMBFGLXSA-N 2 0 224.348 1.786 20 0 BDADRP C[N@H+](CCCC(C)(F)F)CCN1CC[NH2+]CC1 ZINC000718587741 712775762 /nfs/dbraw/zinc/77/57/62/712775762.db2.gz YNNIELBOMVHIBS-UHFFFAOYSA-N 2 0 249.349 1.259 20 0 BDADRP C[C@H]1CC[N@H+](C[C@@]2(C)CCC[NH2+]C2)CCO1 ZINC000719780189 712824744 /nfs/dbraw/zinc/82/47/44/712824744.db2.gz UUPLATLBOLOFDM-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP C[C@H]1CC[N@H+](CCc2ccns2)C[C@H]1C[NH3+] ZINC000719843974 712825546 /nfs/dbraw/zinc/82/55/46/712825546.db2.gz FUPOMYLHYUEYBW-WDEREUQCSA-N 2 0 239.388 1.602 20 0 BDADRP C[N@H+](C[C@@H]1C[C@H]2CCC[C@@H]2O1)C1CC([NH3+])C1 ZINC000720893105 712874141 /nfs/dbraw/zinc/87/41/41/712874141.db2.gz JFUIWZHVHJGWAE-ZMZXKLSGSA-N 2 0 224.348 1.366 20 0 BDADRP C1=CC[C@@H]2C[N@@H+](C[C@H]3CCC[NH2+]C3)C[C@@H]2C1 ZINC000381578970 710657299 /nfs/dbraw/zinc/65/72/99/710657299.db2.gz DNQKWBUHGTVVNQ-MELADBBJSA-N 2 0 220.360 1.884 20 0 BDADRP C[C@@H]1[C@H](C)OCC[N@@H+]1CCCCCC[NH3+] ZINC000380422780 712900621 /nfs/dbraw/zinc/90/06/21/712900621.db2.gz DBSHMNQOHITQCW-NEPJUHHUSA-N 2 0 214.353 1.615 20 0 BDADRP COC[C@@H](C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)C(C)C ZINC000721961592 710694747 /nfs/dbraw/zinc/69/47/47/710694747.db2.gz FJALMLZKOAYDCS-KGLIPLIRSA-N 2 0 240.391 1.590 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1nccs1 ZINC000722521408 710716130 /nfs/dbraw/zinc/71/61/30/710716130.db2.gz OXBQQVSWEMKLBN-NXEZZACHSA-N 2 0 225.361 1.478 20 0 BDADRP OC1CC2(C[C@@H]2[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000724987270 710753115 /nfs/dbraw/zinc/75/31/15/710753115.db2.gz UKYZPPLGLXIMGY-IGYKFCIQSA-N 2 0 236.359 1.116 20 0 BDADRP CO[C@H](CN[C@H]1CCC[NH2+][C@H]1C)C(C)C ZINC000396706583 710907463 /nfs/dbraw/zinc/90/74/63/710907463.db2.gz NISLZVCLNSWTGT-SDDRHHMPSA-N 2 0 214.353 1.388 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCSC(C)(C)C1 ZINC000133354626 710970535 /nfs/dbraw/zinc/97/05/35/710970535.db2.gz KQKSBUPIKOEMCE-MNOVXSKESA-N 2 0 228.405 1.669 20 0 BDADRP CC[N@H+](CCN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C1CC1 ZINC000385543573 711014573 /nfs/dbraw/zinc/01/45/73/711014573.db2.gz VAZNFVRNXOFVNV-RCZQDCHWSA-N 2 0 249.402 1.057 20 0 BDADRP CC[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H](C)O ZINC000386729016 711036148 /nfs/dbraw/zinc/03/61/48/711036148.db2.gz UVILWPYLVFEAJE-ZYHUDNBSSA-N 2 0 214.353 1.077 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@H]1CCC[C@@H]1OC ZINC000380700234 712902670 /nfs/dbraw/zinc/90/26/70/712902670.db2.gz KTGXJKROVJREHJ-STQMWFEESA-N 2 0 228.380 1.875 20 0 BDADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cnc[nH]1 ZINC000387211777 711041055 /nfs/dbraw/zinc/04/10/55/711041055.db2.gz QHWBFZXULOMAJW-UHFFFAOYSA-N 2 0 224.352 1.620 20 0 BDADRP C[C@H]([NH2+]CCC(C)(C)[NH3+])[C@H]1CCCOC1 ZINC000389067751 711072389 /nfs/dbraw/zinc/07/23/89/711072389.db2.gz LPHOXTKSQICXAZ-QWRGUYRKSA-N 2 0 214.353 1.519 20 0 BDADRP CC(C)C[C@@H](O)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000389587800 711081963 /nfs/dbraw/zinc/08/19/63/711081963.db2.gz ADRIFPIFATZLIM-NWDGAFQWSA-N 2 0 216.369 1.501 20 0 BDADRP C[C@@H]1C[NH+](C[C@H](O)C[NH+]2CCCC2)C[C@H]1C ZINC000389732291 711087780 /nfs/dbraw/zinc/08/77/80/711087780.db2.gz QUSCOKJRVUVECG-JHJVBQTASA-N 2 0 226.364 1.031 20 0 BDADRP CC(C)CCC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000389722033 711088188 /nfs/dbraw/zinc/08/81/88/711088188.db2.gz PRBJRRMXSHBMOV-QWHCGFSZSA-N 2 0 210.365 1.964 20 0 BDADRP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C1CCC1 ZINC000392838463 711153301 /nfs/dbraw/zinc/15/33/01/711153301.db2.gz PAMKMLHUDATVDK-KOSSCTIKSA-N 2 0 220.360 1.761 20 0 BDADRP CSCC[C@H](C)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000393950989 711180605 /nfs/dbraw/zinc/18/06/05/711180605.db2.gz XBWBNJQVHQYMJF-ASHHDVGLSA-N 2 0 240.416 1.714 20 0 BDADRP C[NH+]1CCC(C[NH2+]CCN2CC=CCC2)CC1 ZINC000392291055 711144732 /nfs/dbraw/zinc/14/47/32/711144732.db2.gz QGWTYWATOSDUEX-UHFFFAOYSA-N 2 0 237.391 1.180 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1NCCOCc1ccccc1 ZINC000396684188 711364282 /nfs/dbraw/zinc/36/42/82/711364282.db2.gz XILZNFAKCBOLKY-DZGCQCFKSA-N 2 0 248.370 1.933 20 0 BDADRP Cc1cnccc1CC[NH2+]CC1CC[NH+](C)CC1 ZINC000397538370 711386304 /nfs/dbraw/zinc/38/63/04/711386304.db2.gz RBNHXXUXFBRVKV-UHFFFAOYSA-N 2 0 247.386 1.864 20 0 BDADRP C[C@H](CC[NH+](C)C)NC(=O)c1cccc(C[NH3+])c1 ZINC000049551622 711448904 /nfs/dbraw/zinc/44/89/04/711448904.db2.gz VEUUVPXKDNLNMC-LLVKDONJSA-N 2 0 249.358 1.215 20 0 BDADRP C(C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)OC1CC1 ZINC000711757023 711465896 /nfs/dbraw/zinc/46/58/96/711465896.db2.gz AHFPJZLWOWSTOG-AWEZNQCLSA-N 2 0 238.375 1.629 20 0 BDADRP CC1(C)CC(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000723562527 711517771 /nfs/dbraw/zinc/51/77/71/711517771.db2.gz KYWGTQJTBIFWOD-QWHCGFSZSA-N 2 0 222.376 1.964 20 0 BDADRP Cc1nc(C)c(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)o1 ZINC000723627736 711527145 /nfs/dbraw/zinc/52/71/45/711527145.db2.gz UASRZZQJTUYGSJ-GZMMTYOYSA-N 2 0 223.320 1.461 20 0 BDADRP Cc1nc(C)c(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)o1 ZINC000723627737 711527228 /nfs/dbraw/zinc/52/72/28/711527228.db2.gz UASRZZQJTUYGSJ-KCJUWKMLSA-N 2 0 223.320 1.461 20 0 BDADRP C[NH+](C)CCC[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000723661197 711532726 /nfs/dbraw/zinc/53/27/26/711532726.db2.gz DICVXPOBOLFJQU-MGPQQGTHSA-N 2 0 240.391 1.733 20 0 BDADRP Cc1cc(C[N@@H+]2CC[C@H](CC[NH3+])C2)on1 ZINC000723691784 711534208 /nfs/dbraw/zinc/53/42/08/711534208.db2.gz URUYQBNLXSKNHT-JTQLQIEISA-N 2 0 209.293 1.154 20 0 BDADRP Cc1ncsc1CC[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723711782 711535706 /nfs/dbraw/zinc/53/57/06/711535706.db2.gz IPJYOFKHVDUWJM-LLVKDONJSA-N 2 0 239.388 1.665 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000723713566 711536055 /nfs/dbraw/zinc/53/60/55/711536055.db2.gz STWHVPADFXCSHJ-KGLIPLIRSA-N 2 0 240.391 1.598 20 0 BDADRP Cc1cc(C)nc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000723877634 711541851 /nfs/dbraw/zinc/54/18/51/711541851.db2.gz XFQXPGWXACRGEK-OLZOCXBDSA-N 2 0 233.359 1.868 20 0 BDADRP Cc1cc(C)nc(C[N@@H+]2CC[C@H](CC[NH3+])C2)c1 ZINC000723880166 711542463 /nfs/dbraw/zinc/54/24/63/711542463.db2.gz YKYBVMFEUVTSMW-ZDUSSCGKSA-N 2 0 233.359 1.869 20 0 BDADRP COC[C@H](C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1)C(C)C ZINC000723893091 711544321 /nfs/dbraw/zinc/54/43/21/711544321.db2.gz WYIAYMUQIUBPIZ-MCIONIFRSA-N 2 0 242.407 1.822 20 0 BDADRP Cc1ccc(O)c(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)n1 ZINC000723901035 711544333 /nfs/dbraw/zinc/54/43/33/711544333.db2.gz MGVCNRYOYOBETI-ZYHUDNBSSA-N 2 0 249.358 1.512 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)[C@@H]1CCCOC1 ZINC000724013343 711555780 /nfs/dbraw/zinc/55/57/80/711555780.db2.gz QETODOALOSGDEU-LOWVWBTDSA-N 2 0 226.364 1.389 20 0 BDADRP CC[C@@H](C)NC(=[NH2+])NC[C@@H](C)[NH+]1CCCCC1 ZINC000848995660 711590537 /nfs/dbraw/zinc/59/05/37/711590537.db2.gz ZRMMQGJYJPYLAF-VXGBXAGGSA-N 2 0 240.395 1.773 20 0 BDADRP CC(C)C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000717287639 711594930 /nfs/dbraw/zinc/59/49/30/711594930.db2.gz VZITWAMKKXQARH-VIFPVBQESA-N 2 0 206.280 1.477 20 0 BDADRP C[C@H](C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C1CC1 ZINC000382219632 711614111 /nfs/dbraw/zinc/61/41/11/711614111.db2.gz MRIVEJOQHHJSEQ-MHBZJKCTSA-N 2 0 220.360 1.619 20 0 BDADRP Cc1n[nH]cc1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000724784515 711614121 /nfs/dbraw/zinc/61/41/21/711614121.db2.gz ZEFNMOJPKHKCCQ-UHFFFAOYSA-N 2 0 222.336 1.420 20 0 BDADRP CC(F)(F)CCC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000718573823 711661184 /nfs/dbraw/zinc/66/11/84/711661184.db2.gz XJBIHLYXXQYNMH-WDEREUQCSA-N 2 0 232.318 1.963 20 0 BDADRP CC1CC(C[NH2+][C@@H]2[C@@H]3COC[C@H]2C[C@H]([NH3+])C3)C1 ZINC000925722803 711726126 /nfs/dbraw/zinc/72/61/26/711726126.db2.gz ZLUHPSCWBIEBIA-TUTAXOKQSA-N 2 0 238.375 1.374 20 0 BDADRP CC1CC(C[NH2+][C@H]2[C@@H]3COC[C@H]2C[C@H]([NH3+])C3)C1 ZINC000925722802 711726204 /nfs/dbraw/zinc/72/62/04/711726204.db2.gz ZLUHPSCWBIEBIA-RGPJTXMSSA-N 2 0 238.375 1.374 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[C@H](C3CC3)O2)C1 ZINC000722316502 711734790 /nfs/dbraw/zinc/73/47/90/711734790.db2.gz RYIRCYTWMIZRFU-ZOBORPQBSA-N 2 0 238.375 1.804 20 0 BDADRP CCOc1ccc(CCN(C)CC[NH3+])cc1 ZINC000258666068 711740196 /nfs/dbraw/zinc/74/01/96/711740196.db2.gz CDXZKJYHUJELEQ-UHFFFAOYSA-N 2 0 222.332 1.518 20 0 BDADRP CC(C)([NH3+])C[N@@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000725661895 711759320 /nfs/dbraw/zinc/75/93/20/711759320.db2.gz BORIHAVUWLDMFI-KOLCDFICSA-N 2 0 214.378 1.409 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000925879440 711761961 /nfs/dbraw/zinc/76/19/61/711761961.db2.gz DQRJBHLWWIPZSG-RBDSIQFVSA-N 3 0 245.370 1.848 20 0 BDADRP C[N@@H+]1CC[C@H]2C[NH+](CC3(O)CCCC3)CC[C@H]21 ZINC000879573337 711769947 /nfs/dbraw/zinc/76/99/47/711769947.db2.gz NSZRPQUCIBEIKW-QWHCGFSZSA-N 2 0 238.375 1.318 20 0 BDADRP CCN1CCC[C@@H]1C[NH2+]CC1CC[NH+](C)CC1 ZINC000054239958 711782703 /nfs/dbraw/zinc/78/27/03/711782703.db2.gz AMJNXJINYFVXOT-CQSZACIVSA-N 2 0 239.407 1.402 20 0 BDADRP CC(C)(CO)CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401060714 711793469 /nfs/dbraw/zinc/79/34/69/711793469.db2.gz GESBMYDCPZEGMK-YNEHKIRRSA-N 2 0 240.391 1.373 20 0 BDADRP CC(C)[C@@H]([NH3+])c1noc([C@H]2CC[N@H+](C)C2)n1 ZINC000721349929 711802975 /nfs/dbraw/zinc/80/29/75/711802975.db2.gz IPTKGSBPOAANKM-DTWKUNHWSA-N 2 0 224.308 1.145 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](CCOCC(F)(F)F)C1 ZINC000160041967 711805393 /nfs/dbraw/zinc/80/53/93/711805393.db2.gz OPMVVKWSMCFQTI-SECBINFHSA-N 2 0 240.269 1.236 20 0 BDADRP COC[C@H](C[N@H+](C)C[C@H](C)[NH3+])C(C)C ZINC000721962573 711843211 /nfs/dbraw/zinc/84/32/11/711843211.db2.gz HKAUGKIRSKGWAQ-QWRGUYRKSA-N 2 0 202.342 1.184 20 0 BDADRP CC(C)[C@@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000721936455 711940682 /nfs/dbraw/zinc/94/06/82/711940682.db2.gz BACXMOZXDDZGIL-LLVKDONJSA-N 2 0 213.369 1.044 20 0 BDADRP C[C@H](C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)CC(F)F ZINC000700029618 711983228 /nfs/dbraw/zinc/98/32/28/711983228.db2.gz NSPROQFMMPIUBT-TZSFNEBQSA-N 2 0 244.329 1.864 20 0 BDADRP CC[N@H+](C[C@@H]1CCCO1)C[C@@H]1CCCC[NH2+]C1 ZINC000700383385 711991285 /nfs/dbraw/zinc/99/12/85/711991285.db2.gz IXRPVFBVGBJIOQ-KGLIPLIRSA-N 2 0 240.391 1.877 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC[C@H]2CC2(F)F)C12CCC2 ZINC000701949834 712033085 /nfs/dbraw/zinc/03/30/85/712033085.db2.gz FMQSLMASFOINNS-IVZWLZJFSA-N 2 0 230.302 1.891 20 0 BDADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](CC[C@@H]1CCCO1)C2 ZINC000702053736 712037647 /nfs/dbraw/zinc/03/76/47/712037647.db2.gz ONVNHZIVFDLGBX-RWMBFGLXSA-N 2 0 224.348 1.097 20 0 BDADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@H]1CCC(F)(F)C1)C2 ZINC000702096650 712038921 /nfs/dbraw/zinc/03/89/21/712038921.db2.gz AYCDXHXUNAZIAC-SDDRHHMPSA-N 2 0 244.329 1.963 20 0 BDADRP C[N@@H+]1C[C@@H]2C[NH+](C[C@H](O)C(C)(C)C)C[C@]2(C)C1 ZINC000702300217 712044174 /nfs/dbraw/zinc/04/41/74/712044174.db2.gz DGMLJBUFPNYHHJ-DYEKYZERSA-N 2 0 240.391 1.277 20 0 BDADRP COC[C@@H]1CCCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000703580513 712079685 /nfs/dbraw/zinc/07/96/85/712079685.db2.gz AIZJPAMEZQZLMA-UPJWGTAASA-N 2 0 226.364 1.472 20 0 BDADRP C[C@H]([NH2+]C1CCC(C)(O)CC1)[C@@H]1CCC[NH2+]1 ZINC000703603091 712081714 /nfs/dbraw/zinc/08/17/14/712081714.db2.gz CJLWYCXSJDIRFL-QCXCNERSSA-N 2 0 226.364 1.410 20 0 BDADRP COC1CC(C[NH+]2CCC([C@@H](C)[NH3+])CC2)C1 ZINC000703909125 712094031 /nfs/dbraw/zinc/09/40/31/712094031.db2.gz PHHBIZUBQXTRFO-XSRFYTQQSA-N 2 0 226.364 1.471 20 0 BDADRP CCOC[C@@H]1C[N@H+](CCCCCC[NH3+])CCO1 ZINC000705822130 712136338 /nfs/dbraw/zinc/13/63/38/712136338.db2.gz ZIPUFWFXKJUKSQ-ZDUSSCGKSA-N 2 0 244.379 1.243 20 0 BDADRP C[C@H]1CCCC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000705913660 712138724 /nfs/dbraw/zinc/13/87/24/712138724.db2.gz SDEAHTUVVFLEDP-UONOGXRCSA-N 2 0 240.391 1.565 20 0 BDADRP C[C@H]1CCCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000705913657 712139180 /nfs/dbraw/zinc/13/91/80/712139180.db2.gz SDEAHTUVVFLEDP-KBPBESRZSA-N 2 0 240.391 1.565 20 0 BDADRP CC[C@]1(C)COCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000707325253 712167471 /nfs/dbraw/zinc/16/74/71/712167471.db2.gz DVHREHSQOWQELL-GRYCIOLGSA-N 2 0 212.337 1.225 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C[C@H]1C[NH3+] ZINC000708080682 712181176 /nfs/dbraw/zinc/18/11/76/712181176.db2.gz BINNJIXDTLLJEG-BJJPWKGXSA-N 2 0 238.375 1.471 20 0 BDADRP CC1(C)CO[C@H](C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000708347563 712190168 /nfs/dbraw/zinc/19/01/68/712190168.db2.gz JQQPAVHQDURORB-JSGCOSHPSA-N 2 0 238.375 1.487 20 0 BDADRP CCc1nnc(C[NH2+]CCCC[NH+](C)C)s1 ZINC000708588138 712214041 /nfs/dbraw/zinc/21/40/41/712214041.db2.gz SNGAIGNIVZELMJ-UHFFFAOYSA-N 2 0 242.392 1.532 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CC(C)(C)OC2(C)C)C[C@H]1[NH3+] ZINC000709695123 712216033 /nfs/dbraw/zinc/21/60/33/712216033.db2.gz BYHNRJXVVNKKOP-IJLUTSLNSA-N 2 0 240.391 1.859 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CCCOC1)[NH2+]2 ZINC000709447043 712222115 /nfs/dbraw/zinc/22/21/15/712222115.db2.gz DYCPQVFOXOROTN-SJHCENCUSA-N 2 0 224.348 1.284 20 0 BDADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccnc1)C2 ZINC000709820124 712228051 /nfs/dbraw/zinc/22/80/51/712228051.db2.gz ARNBQOAPABJMRA-AVGNSLFASA-N 2 0 217.316 1.393 20 0 BDADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccn1)C2 ZINC000709823636 712228622 /nfs/dbraw/zinc/22/86/22/712228622.db2.gz RJWXCZYQTAWBKH-GVXVVHGQSA-N 2 0 217.316 1.393 20 0 BDADRP CN(CCCCCC[NH3+])Cc1csnn1 ZINC000710729418 712255736 /nfs/dbraw/zinc/25/57/36/712255736.db2.gz LBWWUYZAIBVJAE-UHFFFAOYSA-N 2 0 228.365 1.489 20 0 BDADRP Cc1cnc(C[N@H+](C)CCCCCC[NH3+])cn1 ZINC000710806144 712257493 /nfs/dbraw/zinc/25/74/93/712257493.db2.gz YPLOFQKGIWCMLO-UHFFFAOYSA-N 2 0 236.363 1.736 20 0 BDADRP C[NH+](C)CC1(O)CC[NH+](CCC2CC2)CC1 ZINC000710641357 712264836 /nfs/dbraw/zinc/26/48/36/712264836.db2.gz IGAZNRGMIUQCLB-UHFFFAOYSA-N 2 0 226.364 1.175 20 0 BDADRP CC[C@@H]1COC[C@@H]1[NH2+]C[C@H](C)C[NH+](C)C ZINC000711075135 712279120 /nfs/dbraw/zinc/27/91/20/712279120.db2.gz OZTHGTJNVVOIPF-TUAOUCFPSA-N 2 0 214.353 1.199 20 0 BDADRP CC[C@H]1COC[C@@H]1[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000711106561 712280863 /nfs/dbraw/zinc/28/08/63/712280863.db2.gz GDCVRHZRHLJDAY-JSGCOSHPSA-N 2 0 240.391 1.874 20 0 BDADRP CC[C@@H]1COC[C@H]1[NH2+]C[C@@H]1CC[N@H+](CC)C1 ZINC000711106659 712280930 /nfs/dbraw/zinc/28/09/30/712280930.db2.gz GULXXJZBNJRJTB-YNEHKIRRSA-N 2 0 226.364 1.343 20 0 BDADRP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)[C@H]1CCOC1 ZINC000711269293 712291894 /nfs/dbraw/zinc/29/18/94/712291894.db2.gz OKIRWWKFLLIFMH-IGQOVBAYSA-N 2 0 238.375 1.533 20 0 BDADRP FC[C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000711446219 712300570 /nfs/dbraw/zinc/30/05/70/712300570.db2.gz WCXUGARCEQDYKP-RYUDHWBXSA-N 2 0 214.328 1.668 20 0 BDADRP FC[C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000711452127 712302568 /nfs/dbraw/zinc/30/25/68/712302568.db2.gz FWHKGUFRILZUTO-WODVXLOZSA-N 2 0 226.339 1.808 20 0 BDADRP C([N@@H+]1C[C@@H]2CSC[C@@H]2C1)C12CC(C1)C[NH2+]2 ZINC000711532194 712310025 /nfs/dbraw/zinc/31/00/25/712310025.db2.gz DCZOZXFWSVNOJT-WSVSKBAQSA-N 2 0 224.373 1.033 20 0 BDADRP C([C@H]1CCC[NH2+]C1)[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711544274 712310598 /nfs/dbraw/zinc/31/05/98/712310598.db2.gz IPEUFAJXNAFHMA-SDDRHHMPSA-N 2 0 226.389 1.281 20 0 BDADRP CC[C@H]1C[N@H+](CCOC2CC2)CC[C@H]1[NH3+] ZINC000711731109 712319808 /nfs/dbraw/zinc/31/98/08/712319808.db2.gz MAERFDKLNGBMDP-CMPLNLGQSA-N 2 0 212.337 1.225 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](CCOC2CC2)CC1 ZINC000711730975 712320281 /nfs/dbraw/zinc/32/02/81/712320281.db2.gz KSCNVDRPAATYFR-SNVBAGLBSA-N 2 0 212.337 1.225 20 0 BDADRP C[NH2+]CC1CC[NH+](CCOC2CC2)CC1 ZINC000711752229 712324769 /nfs/dbraw/zinc/32/47/69/712324769.db2.gz KROWLOXGCRIZJY-UHFFFAOYSA-N 2 0 212.337 1.097 20 0 BDADRP CCc1ncc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)o1 ZINC000923480163 712334687 /nfs/dbraw/zinc/33/46/87/712334687.db2.gz WAFSBGLCEGXOLM-SNVBAGLBSA-N 2 0 223.320 1.408 20 0 BDADRP C[C@H]1C[C@H](C[NH2+]CC2CC[NH+](C)CC2)CCO1 ZINC000388679714 712373049 /nfs/dbraw/zinc/37/30/49/712373049.db2.gz IKOQEHXIMUISKY-GXTWGEPZSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H]1C[C@@H](C[NH2+]CC2CC[NH+](C)CC2)CCO1 ZINC000388679715 712373215 /nfs/dbraw/zinc/37/32/15/712373215.db2.gz IKOQEHXIMUISKY-JSGCOSHPSA-N 2 0 240.391 1.733 20 0 BDADRP CCN1CC[C@@H]1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000712581727 712433446 /nfs/dbraw/zinc/43/34/46/712433446.db2.gz NSJVOPDBIAWRDN-BFHYXJOUSA-N 2 0 237.391 1.297 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[N@H+](C)C(C)(C)CC1 ZINC000712610861 712437638 /nfs/dbraw/zinc/43/76/38/712437638.db2.gz SQDQDAAMQSMBQV-ZDUSSCGKSA-N 2 0 241.423 1.776 20 0 BDADRP C[N@@H+]1CCN(CC23CC(C2)C[NH2+]3)CCC1(C)C ZINC000712623561 712438599 /nfs/dbraw/zinc/43/85/99/712438599.db2.gz WPVJMTJIOVUVAV-UHFFFAOYSA-N 2 0 237.391 1.155 20 0 BDADRP C(C[N@@H+]1CCC[NH2+]CC1)[C@@H]1C[C@H]1C1CC1 ZINC000712666955 712439525 /nfs/dbraw/zinc/43/95/25/712439525.db2.gz JYHKVVBJERJEPC-OLZOCXBDSA-N 2 0 208.349 1.718 20 0 BDADRP Cc1cc(N2CC[N@@H+](C)C(C)(C)CC2)nc(N)[nH+]1 ZINC000712667912 712440042 /nfs/dbraw/zinc/44/00/42/712440042.db2.gz DHIBSOUGBVNFQV-UHFFFAOYSA-N 2 0 249.362 1.288 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@H]2C[C@H](OC)C2)CC1 ZINC000714615315 712488833 /nfs/dbraw/zinc/48/88/33/712488833.db2.gz XEJBMDJCKSMVAY-MQMHXKEQSA-N 2 0 240.391 1.875 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000714625342 712491873 /nfs/dbraw/zinc/49/18/73/712491873.db2.gz JXSXJRJQXVERBR-YFKTTZPYSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@@H](CC[NH2+]C[C@H]1COC(C)(C)O1)[NH+](C)C ZINC000715125770 712511003 /nfs/dbraw/zinc/51/10/03/712511003.db2.gz OLFCHQRUVHSYNE-QWRGUYRKSA-N 2 0 230.352 1.068 20 0 BDADRP C[NH+](C)C1(C)CCC([NH2+][C@H]2CCOC2)CC1 ZINC000715488981 712520546 /nfs/dbraw/zinc/52/05/46/712520546.db2.gz ACCKEDVCLYNZLU-CPCZMJQVSA-N 2 0 226.364 1.628 20 0 BDADRP [NH3+]C1CC[NH+](C[C@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000715483020 712520714 /nfs/dbraw/zinc/52/07/14/712520714.db2.gz QEGRLCDXMNURCZ-OLZOCXBDSA-N 2 0 224.348 1.367 20 0 BDADRP C[N@H+](CCC[NH3+])C[C@@H]1CC[C@H](C2CC2)O1 ZINC000715493404 712523366 /nfs/dbraw/zinc/52/33/66/712523366.db2.gz BXFCQEHIFDGKGC-NWDGAFQWSA-N 2 0 212.337 1.225 20 0 BDADRP [NH3+]CC1CC[NH+](C[C@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000715510633 712524639 /nfs/dbraw/zinc/52/46/39/712524639.db2.gz QAAHWTRKKNGQNQ-KGLIPLIRSA-N 2 0 238.375 1.615 20 0 BDADRP C[N@H+](C[C@@H]1CC[C@@H](C2CC2)O1)C1CC[NH2+]CC1 ZINC000715513105 712524969 /nfs/dbraw/zinc/52/49/69/712524969.db2.gz YTCNVWDOIGEMTA-KBPBESRZSA-N 2 0 238.375 1.628 20 0 BDADRP C[N@H+](C[C@H]1CC[C@H](C2CC2)O1)C1CC[NH2+]CC1 ZINC000715513109 712524981 /nfs/dbraw/zinc/52/49/81/712524981.db2.gz YTCNVWDOIGEMTA-ZIAGYGMSSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@@H]1OC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)[C@@H]1C ZINC000715545842 712527130 /nfs/dbraw/zinc/52/71/30/712527130.db2.gz ZBUPGNDBBNZMEQ-ITGHMWBKSA-N 2 0 240.391 1.872 20 0 BDADRP CC[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)C(C)C ZINC000037229175 712554742 /nfs/dbraw/zinc/55/47/42/712554742.db2.gz MTWLOZMEUSKPCH-CQSZACIVSA-N 2 0 241.423 1.648 20 0 BDADRP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000716612299 712567600 /nfs/dbraw/zinc/56/76/00/712567600.db2.gz YXGGXGWZNUCSCB-YCHQMCSQSA-N 2 0 246.398 1.865 20 0 BDADRP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]C1CCCC1 ZINC000717007995 712604109 /nfs/dbraw/zinc/60/41/09/712604109.db2.gz ACQKKHNZXFZOFS-SECBINFHSA-N 2 0 218.291 1.763 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)[C@@H]1CCOC1 ZINC000717324201 712648957 /nfs/dbraw/zinc/64/89/57/712648957.db2.gz VXKIYUFRMLNRIK-HBNTYKKESA-N 2 0 248.317 1.246 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC=CO1 ZINC000380003245 712651835 /nfs/dbraw/zinc/65/18/35/712651835.db2.gz ABOHMCHBSADLJO-QJPTWQEYSA-N 2 0 210.321 1.396 20 0 BDADRP CN1CC[C@@H]2CC[C@H](C1)[N@@H+]2CC1(O)CCCC1 ZINC000717434091 712657764 /nfs/dbraw/zinc/65/77/64/712657764.db2.gz YVCXNMXFYSKTJU-QWHCGFSZSA-N 2 0 238.375 1.460 20 0 BDADRP CNc1cc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)ncn1 ZINC000159206365 712722718 /nfs/dbraw/zinc/72/27/18/712722718.db2.gz FNBZOLTZMBGPNV-NXEZZACHSA-N 2 0 235.335 1.413 20 0 BDADRP CN1CCC[C@H]2[C@@H]1CC[N@@H+]2C[C@@H]1CC[C@H]([NH3+])C1 ZINC000717955149 712734732 /nfs/dbraw/zinc/73/47/32/712734732.db2.gz YQQSQUYPRTXUGH-RFGFWPKPSA-N 3 0 237.391 1.282 20 0 BDADRP OCC1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000719251114 712801429 /nfs/dbraw/zinc/80/14/29/712801429.db2.gz IALWLJVRODUFBM-AGUYFDCRSA-N 2 0 238.375 1.221 20 0 BDADRP CCC[NH+]1CCC(N[C@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000719649013 712820751 /nfs/dbraw/zinc/82/07/51/712820751.db2.gz SDOPBEGBXYCUBE-JSGCOSHPSA-N 2 0 239.407 1.543 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCc2ccns2)C1 ZINC000719829705 712823807 /nfs/dbraw/zinc/82/38/07/712823807.db2.gz CFOKNPCSPWMWIG-VHSXEESVSA-N 2 0 225.361 1.355 20 0 BDADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCc1ccns1 ZINC000719846465 712825975 /nfs/dbraw/zinc/82/59/75/712825975.db2.gz PURVMFSMVDEQED-LBPRGKRZSA-N 2 0 241.404 1.991 20 0 BDADRP CC1([NH3+])CC[NH+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC1 ZINC000720809414 712866827 /nfs/dbraw/zinc/86/68/27/712866827.db2.gz ZNMOOCLTSZVZDI-AVGNSLFASA-N 2 0 238.375 1.757 20 0 BDADRP C[C@H]1CC[C@@H](C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)O1 ZINC000720862890 712871250 /nfs/dbraw/zinc/87/12/50/712871250.db2.gz VUXFYJLPHDEXQB-ZDEQEGDKSA-N 2 0 224.348 1.095 20 0 BDADRP CN1CCC[C@@H]2[C@H]1CC[N@@H+]2CC[C@@H]1CC[NH2+]C1 ZINC000720890476 712875304 /nfs/dbraw/zinc/87/53/04/712875304.db2.gz MBRLOUQWEOILJQ-BFHYXJOUSA-N 2 0 237.391 1.155 20 0 BDADRP C[N@@H+]1CCC[C@H]2[C@H]1CCN2CCC[NH2+]C1CC1 ZINC000720902962 712875903 /nfs/dbraw/zinc/87/59/03/712875903.db2.gz WCZKQGTYLOIHJB-KGLIPLIRSA-N 2 0 237.391 1.297 20 0 BDADRP C[C@@H]([NH2+]CC1(C)CC(F)(F)C1)C1C[NH2+]C1 ZINC000720929728 712879646 /nfs/dbraw/zinc/87/96/46/712879646.db2.gz XVBFVZODBQTWAN-MRVPVSSYSA-N 2 0 218.291 1.619 20 0 BDADRP CC(C)C[NH+]1CCN(c2cc(N)cc[nH+]2)CC1 ZINC000055085570 719328785 /nfs/dbraw/zinc/32/87/85/719328785.db2.gz NWHIYOLPNQJQMD-UHFFFAOYSA-N 2 0 234.347 1.442 20 0 BDADRP C[N@@H+]1CC[C@H](Nc2ccccc2CC[NH3+])C1 ZINC001167278236 957624449 /nfs/dbraw/zinc/62/44/49/957624449.db2.gz DAZQXKOLUXSMKC-LBPRGKRZSA-N 2 0 219.332 1.304 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CCC2CC[NH+](C)CC2)CN1 ZINC000399005459 958486658 /nfs/dbraw/zinc/48/66/58/958486658.db2.gz XMDMTBXMPKCQHN-OCCSQVGLSA-N 2 0 239.407 1.448 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](Cc2cncs2)C1 ZINC000690739031 958857645 /nfs/dbraw/zinc/85/76/45/958857645.db2.gz PNJACEKVABQERE-VIFPVBQESA-N 2 0 211.334 1.314 20 0 BDADRP Cc1n[nH]cc1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000724785460 959516063 /nfs/dbraw/zinc/51/60/63/959516063.db2.gz CTYWEOVFEYISOY-NSHDSACASA-N 2 0 222.336 1.279 20 0 BDADRP [NH3+]C[C@H]1CCCCN(Cc2cscn2)C1 ZINC000308857344 959523089 /nfs/dbraw/zinc/52/30/89/959523089.db2.gz OKIKBNILZZUVIM-SNVBAGLBSA-N 2 0 225.361 1.704 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH2+][C@H]1CCCOCC1 ZINC000710454343 962382340 /nfs/dbraw/zinc/38/23/40/962382340.db2.gz LTUJFPWQXNYCQW-STQMWFEESA-N 2 0 226.364 1.629 20 0 BDADRP C[NH+]1CCC2(C[NH+]([C@@H]3C[C@H]4C[C@H]4C3)C2)CC1 ZINC001167956203 962802836 /nfs/dbraw/zinc/80/28/36/962802836.db2.gz LNKJDSDNLQENLA-CLLJXQQHSA-N 2 0 220.360 1.813 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1cc(Cl)ccn1 ZINC001159780091 964196821 /nfs/dbraw/zinc/19/68/21/964196821.db2.gz PSKNVUFTGHWEKK-QMMMGPOBSA-N 2 0 214.700 1.171 20 0 BDADRP C[C@@H](CC[NH2+][C@@H]1CO[C@H](C)C1)[NH+](C)C ZINC000697836527 964552284 /nfs/dbraw/zinc/55/22/84/964552284.db2.gz IXCYCVRJVHHADN-AXFHLTTASA-N 2 0 200.326 1.094 20 0 BDADRP C[C@@H](CC[NH2+][C@H]1CCO[C@H]1C)[NH+](C)C ZINC000697857869 964569688 /nfs/dbraw/zinc/56/96/88/964569688.db2.gz KWCLGVUINOGSQR-DCAQKATOSA-N 2 0 200.326 1.094 20 0 BDADRP CC[C@@H](COC)[NH2+]CC[C@H](C)[NH+](C)C ZINC000697871882 964598335 /nfs/dbraw/zinc/59/83/35/964598335.db2.gz PNEYPHORDIZWCQ-QWRGUYRKSA-N 2 0 202.342 1.341 20 0 BDADRP C[C@@H](CC[NH2+]C[C@@H]1CCSC1)[NH+](C)C ZINC000697873161 964599383 /nfs/dbraw/zinc/59/93/83/964599383.db2.gz UCHPWALQMLUFQY-QWRGUYRKSA-N 2 0 216.394 1.669 20 0 BDADRP C[NH+](C)CCNc1ccc2[nH]c(N)[nH+]c2c1 ZINC001161670896 964676449 /nfs/dbraw/zinc/67/64/49/964676449.db2.gz DUXZEWYVUQBUIO-UHFFFAOYSA-N 2 0 219.292 1.119 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]CC[C@H](C)[NH+](C)C)CCO1 ZINC000697911256 964676842 /nfs/dbraw/zinc/67/68/42/964676842.db2.gz YQEDWPQXWZFPOU-RWMBFGLXSA-N 2 0 228.380 1.874 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC001168465166 965802900 /nfs/dbraw/zinc/80/29/00/965802900.db2.gz PKSWMNCVIMNELF-MNOVXSKESA-N 2 0 224.323 1.941 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@H]2C[C@@H](O)C2(C)C)CC1 ZINC000715490059 966918868 /nfs/dbraw/zinc/91/88/68/966918868.db2.gz ITZHLYUAONPCDL-IFWUJCSASA-N 2 0 240.391 1.608 20 0 BDADRP COCCC[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205255875 967446083 /nfs/dbraw/zinc/44/60/83/967446083.db2.gz MMAHKLNPYRMUMI-LLVKDONJSA-N 2 0 200.326 1.226 20 0 BDADRP CC1(C)OC[C@H](C[N@@H+]2CCC[C@@](C)([NH3+])CC2)O1 ZINC001205257143 967446201 /nfs/dbraw/zinc/44/62/01/967446201.db2.gz SPEGNEQWEGMLSC-WCQYABFASA-N 2 0 242.363 1.341 20 0 BDADRP [NH3+]CCCC[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC001331820926 968246572 /nfs/dbraw/zinc/24/65/72/968246572.db2.gz KNVICRRPQUYRMK-GMTAPVOTSA-N 2 0 246.445 1.695 20 0 BDADRP CC(C)[N@H+](CCCCO)[C@@H]1CCC[NH2+]CC1 ZINC001206581558 968401010 /nfs/dbraw/zinc/40/10/10/968401010.db2.gz KFAZPPOFHPRLOF-CYBMUJFWSA-N 2 0 228.380 1.611 20 0 BDADRP CCCC[C@H](O)C[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC001252113365 968600096 /nfs/dbraw/zinc/60/00/96/968600096.db2.gz YPWFWTUZZZVAHP-OLZOCXBDSA-N 2 0 228.380 1.611 20 0 BDADRP C[C@H]1CC(=O)CC[N@@H+]1CC1CC[NH2+]CC1 ZINC001207436580 968768193 /nfs/dbraw/zinc/76/81/93/968768193.db2.gz OQEBOHSPBVZYRZ-JTQLQIEISA-N 2 0 210.321 1.039 20 0 BDADRP C[NH+]1CCC(CC[N@@H+]2CCCC23COC3)CC1 ZINC001207484909 968798354 /nfs/dbraw/zinc/79/83/54/968798354.db2.gz OLUCNIULUVJBIE-UHFFFAOYSA-N 2 0 238.375 1.583 20 0 BDADRP CC(C)OC[C@H](O)C[NH2+]CCCCC[NH+](C)C ZINC001252693989 968916731 /nfs/dbraw/zinc/91/67/31/968916731.db2.gz WYWODPDFVRJYPE-CYBMUJFWSA-N 2 0 246.395 1.094 20 0 BDADRP CCC[C@H](O)C[NH2+][C@H]1CC[N@@H+](C(C)C)C[C@H]1C ZINC001252808004 968995805 /nfs/dbraw/zinc/99/58/05/968995805.db2.gz AVFVVQZLFSRJTQ-RDBSUJKOSA-N 2 0 242.407 1.856 20 0 BDADRP CCN1CC[NH+](CC2(C)CC[NH+](C)CC2)CC1 ZINC001208104323 969002765 /nfs/dbraw/zinc/00/27/65/969002765.db2.gz LPIDOUQPCAGLAY-UHFFFAOYSA-N 2 0 239.407 1.356 20 0 BDADRP C[NH+](C)C1(C)CN(CC2(C)CC[NH+](C)CC2)C1 ZINC001208114590 969005032 /nfs/dbraw/zinc/00/50/32/969005032.db2.gz ZCGNJXOFYFXEPI-UHFFFAOYSA-N 2 0 239.407 1.354 20 0 BDADRP C[C@@H]1C[C@@H](O)C[N@@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208105713 969002875 /nfs/dbraw/zinc/00/28/75/969002875.db2.gz BDHZMXJATPJLMR-VXGBXAGGSA-N 2 0 226.364 1.173 20 0 BDADRP CC[NH+](CC)C[C@H](O)C[NH2+]C[Si](C)(C)C ZINC001253208834 969110960 /nfs/dbraw/zinc/11/09/60/969110960.db2.gz BKUBCOXSYXIVPG-LLVKDONJSA-N 2 0 232.444 1.156 20 0 BDADRP C[C@H]1CCCC[C@@H]1[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253384097 969146275 /nfs/dbraw/zinc/14/62/75/969146275.db2.gz PATJJRWAFVTTBS-AVGNSLFASA-N 2 0 242.407 1.904 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH+]2CCC3(COC3)C2)C1 ZINC001208608205 969147727 /nfs/dbraw/zinc/14/77/27/969147727.db2.gz RVGCNAGISKYXTQ-LBPRGKRZSA-N 2 0 224.348 1.051 20 0 BDADRP CC[NH+]1CCC(CN2CC(C)([NH+](C)C)C2)CC1 ZINC001208598807 969149965 /nfs/dbraw/zinc/14/99/65/969149965.db2.gz YKKVKULKZYBWFZ-UHFFFAOYSA-N 2 0 239.407 1.354 20 0 BDADRP CC[NH+]1CCC(C[N@H+](C)CCOC)CC1 ZINC001208592820 969150578 /nfs/dbraw/zinc/15/05/78/969150578.db2.gz DHWNZBXDMIHFSN-UHFFFAOYSA-N 2 0 214.353 1.297 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH+]2CCC(F)CC2)C1 ZINC001208604497 969157032 /nfs/dbraw/zinc/15/70/32/969157032.db2.gz PIDXYPMOBBRYKF-LLVKDONJSA-N 2 0 214.328 1.762 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CCC[NH+](C)C2)CC[C@]1(C)O ZINC001208606814 969163442 /nfs/dbraw/zinc/16/34/42/969163442.db2.gz HDAPWXVGCMFYGD-RDBSUJKOSA-N 2 0 240.391 1.421 20 0 BDADRP Cc1noc(C)c1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC000383679740 969181004 /nfs/dbraw/zinc/18/10/04/969181004.db2.gz QLRYSIHGMUGSNX-GFCCVEGCSA-N 2 0 237.347 1.852 20 0 BDADRP CCC[N@H+](CCCOCOC)CCC[NH+](C)C ZINC001209031617 969325399 /nfs/dbraw/zinc/32/53/99/969325399.db2.gz MMKTUGSYLYOQJQ-UHFFFAOYSA-N 2 0 246.395 1.661 20 0 BDADRP C[NH+](C)[C@H]1CC[C@H]([NH2+]C[C@H](O)C(C)(C)C)CC1 ZINC001253747818 969365968 /nfs/dbraw/zinc/36/59/68/969365968.db2.gz VJVAHHNQZYOPQG-AVGNSLFASA-N 2 0 242.407 1.856 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NCC(=O)C(C)(C)C)C2 ZINC001169096145 969382400 /nfs/dbraw/zinc/38/24/00/969382400.db2.gz UUTOMJYRMWALCN-CNDDSTCGSA-N 2 0 238.375 1.816 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCCOC1)C2 ZINC001169092267 969413140 /nfs/dbraw/zinc/41/31/40/969413140.db2.gz AXVDXSJFWAVAJL-ZDEQEGDKSA-N 2 0 224.348 1.380 20 0 BDADRP CN(CC[NH3+])CC[NH2+]C1CCC(F)(F)CC1 ZINC001254213889 969538373 /nfs/dbraw/zinc/53/83/73/969538373.db2.gz OMDHWUUDKWVPID-UHFFFAOYSA-N 2 0 235.322 1.044 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH+]2CCC(F)CC2)CC1 ZINC001254516281 969687024 /nfs/dbraw/zinc/68/70/24/969687024.db2.gz LMZJGVJBJFNTOQ-GFCCVEGCSA-N 2 0 214.328 1.905 20 0 BDADRP CO[C@H]1CC[N@@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254521208 969694968 /nfs/dbraw/zinc/69/49/68/969694968.db2.gz SRXBZFDWFVMERN-RYUDHWBXSA-N 2 0 212.337 1.191 20 0 BDADRP C[NH2+]CCN([C@@H]1CCC[N@H+](C)CC1)C(C)(C)C ZINC001254528749 969716349 /nfs/dbraw/zinc/71/63/49/969716349.db2.gz AAABMFORSAPHQY-CYBMUJFWSA-N 2 0 241.423 1.791 20 0 BDADRP CSCC[N@H+](C)[C@@H]1CCC[NH+](C)CC1 ZINC001254528763 969720538 /nfs/dbraw/zinc/72/05/38/969720538.db2.gz AEBBVZWFUBOMIW-LLVKDONJSA-N 2 0 216.394 1.766 20 0 BDADRP CC[N@@H+]1CCN([C@@H]2CCC[NH+](C)CC2)C[C@H]1C ZINC001254531067 969725851 /nfs/dbraw/zinc/72/58/51/969725851.db2.gz CGUSYSOIRLBPEV-ZIAGYGMSSA-N 2 0 239.407 1.497 20 0 BDADRP COC[C@@H]1CC[N@@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254534235 969727700 /nfs/dbraw/zinc/72/77/00/969727700.db2.gz UWVQFITZLMXOCY-NEPJUHHUSA-N 2 0 212.337 1.191 20 0 BDADRP CCC[N@H+]1C[C@@H]2C[NH+]([C@@H]3CCSC3)C[C@@H]2C1 ZINC001255292672 970055012 /nfs/dbraw/zinc/05/50/12/970055012.db2.gz HULZVRPQVCRDOR-FRRDWIJNSA-N 2 0 240.416 1.766 20 0 BDADRP CCCC[NH+]1CCN([C@@H]2CC[N@H+](C)C2)CC1 ZINC001255436748 970164270 /nfs/dbraw/zinc/16/42/70/970164270.db2.gz ULXQOCUBDQOYNL-CYBMUJFWSA-N 2 0 225.380 1.108 20 0 BDADRP CC(C)[N@H+](C)[C@@H]1CCN([C@H]2CC[NH+](C)C2)C1 ZINC001255441038 970168947 /nfs/dbraw/zinc/16/89/47/970168947.db2.gz KFUROTQXKMMROZ-OLZOCXBDSA-N 2 0 225.380 1.105 20 0 BDADRP CC(C)N(CCC[NH3+])[C@@H]1CCC[N@H+](C)C1 ZINC001255468903 970196238 /nfs/dbraw/zinc/19/62/38/970196238.db2.gz ZMMMLPYLDFADAU-GFCCVEGCSA-N 2 0 213.369 1.140 20 0 BDADRP COC[C@@H](C)[NH2+]C1CC[NH+](CC2CCC2)CC1 ZINC001255562619 970346760 /nfs/dbraw/zinc/34/67/60/970346760.db2.gz DUNAMKWFZQJNRD-GFCCVEGCSA-N 2 0 240.391 1.875 20 0 BDADRP COC[C@@H](C)[NH2+]Cc1ccccc1C[NH3+] ZINC001255564295 970355206 /nfs/dbraw/zinc/35/52/06/970355206.db2.gz VNEHWVXGVNYPIA-SNVBAGLBSA-N 2 0 208.305 1.270 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]CC1(O)CC1 ZINC001255941689 970571947 /nfs/dbraw/zinc/57/19/47/970571947.db2.gz XCGYQVARORYCFR-NSHDSACASA-N 2 0 214.353 1.221 20 0 BDADRP CC[NH+](CC)CC[C@H](C)n1ccc(C[NH3+])n1 ZINC001255943660 970576841 /nfs/dbraw/zinc/57/68/41/970576841.db2.gz PQULGDIYKJVXSH-NSHDSACASA-N 2 0 224.352 1.635 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC[C@H](O)CC1 ZINC001255956031 970593050 /nfs/dbraw/zinc/59/30/50/970593050.db2.gz GBFKHZTWRLHYJE-KGLIPLIRSA-N 2 0 242.407 1.954 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@@H](CO)C1 ZINC001255960550 970601587 /nfs/dbraw/zinc/60/15/87/970601587.db2.gz IKIXHNNCCCODGK-QWHCGFSZSA-N 2 0 228.380 1.421 20 0 BDADRP CC[N@@H+]1CC[C@@H](N(C(C)C)C(C)(C)C[NH3+])C1 ZINC001173357636 975319997 /nfs/dbraw/zinc/31/99/97/975319997.db2.gz PYWYRUQYKSVYEM-GFCCVEGCSA-N 2 0 227.396 1.528 20 0 BDADRP C[C@@H](C(=O)Nc1c[nH+]ccc1N(C)C)[NH+](C)C ZINC001180857961 978954089 /nfs/dbraw/zinc/95/40/89/978954089.db2.gz KZUCMUYQPIJRPX-VIFPVBQESA-N 2 0 236.319 1.036 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235422811 979041753 /nfs/dbraw/zinc/04/17/53/979041753.db2.gz DRDVCCMZTYEAFB-ZIAGYGMSSA-N 3 0 239.407 1.437 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)C[C@@H]([NH3+])C(C)(C)C ZINC001340692976 979066760 /nfs/dbraw/zinc/06/67/60/979066760.db2.gz VRHAWHBOHZBVPL-GMTAPVOTSA-N 2 0 241.379 1.088 20 0 BDADRP CC[NH2+]C1CCN(CC[C@H]2CCCC[NH2+]2)CC1 ZINC001235726655 979123777 /nfs/dbraw/zinc/12/37/77/979123777.db2.gz VHRGWDXUBXMGGV-CYBMUJFWSA-N 2 0 239.407 1.593 20 0 BDADRP CC(=O)[C@@H]1CCCN(C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001235950075 979223409 /nfs/dbraw/zinc/22/34/09/979223409.db2.gz NORIFHWVAFXAMA-NEPJUHHUSA-N 2 0 240.347 1.012 20 0 BDADRP CC(C)[NH2+]CCCNC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000151817627 979264931 /nfs/dbraw/zinc/26/49/31/979264931.db2.gz KYHLEUKNUVTRDQ-RYUDHWBXSA-N 2 0 241.379 1.008 20 0 BDADRP COC(=O)[C@H]1CCC[N@H+](CCCC[NH3+])CC1 ZINC001237057587 979812634 /nfs/dbraw/zinc/81/26/34/979812634.db2.gz NUGWIZMRYYGOLX-NSHDSACASA-N 2 0 228.336 1.000 20 0 BDADRP CC(C)COC(=O)NCCC[NH2+]CCCC[NH3+] ZINC001239325507 980532150 /nfs/dbraw/zinc/53/21/50/980532150.db2.gz BHIPCOSDXKSFII-UHFFFAOYSA-N 2 0 245.367 1.087 20 0 BDADRP CC(C)(C)CC[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205662923 981749663 /nfs/dbraw/zinc/74/96/63/981749663.db2.gz FRPLDZMMXZKTIR-ZDUSSCGKSA-N 2 0 228.380 1.598 20 0 BDADRP C[C@@H]([NH3+])CN1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC001351798890 982391125 /nfs/dbraw/zinc/39/11/25/982391125.db2.gz DZLSWDDBTVNYIX-PWSUYJOCSA-N 2 0 213.369 1.031 20 0 BDADRP C[N@@H+]1CCC=C(c2cc(C[NH3+])ccn2)C1 ZINC001241565033 982807147 /nfs/dbraw/zinc/80/71/47/982807147.db2.gz FVCYGHCJOLNSMR-UHFFFAOYSA-N 2 0 203.289 1.259 20 0 BDADRP CC[C@H](C)C[N@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001201521612 983317351 /nfs/dbraw/zinc/31/73/51/983317351.db2.gz WBKUUKSZGFZTCD-RWMBFGLXSA-N 2 0 210.365 1.916 20 0 BDADRP CC(C)CC[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001201626896 983380056 /nfs/dbraw/zinc/38/00/56/983380056.db2.gz NDUICJLTMRCZSB-CHWSQXEVSA-N 2 0 210.365 1.916 20 0 BDADRP CCOCC[C@H](C)[N@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001172430618 974712556 /nfs/dbraw/zinc/71/25/56/974712556.db2.gz HVANLNBWCSDLOG-MELADBBJSA-N 2 0 240.391 1.685 20 0 BDADRP CC(C)OCC[C@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001172452551 974817300 /nfs/dbraw/zinc/81/73/00/974817300.db2.gz ALPPTQMCRANNRR-MELADBBJSA-N 2 0 240.391 1.683 20 0 BDADRP CC(C)COCC[C@H](C)[NH2+]C[C@H]1CC[N@H+](C)C1 ZINC001172457521 974821608 /nfs/dbraw/zinc/82/16/08/974821608.db2.gz PRNJHWHIUASIQL-UONOGXRCSA-N 2 0 242.407 1.979 20 0 BDADRP CC[C@H]1C[C@@H]([N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)CCO1 ZINC001246541477 972563365 /nfs/dbraw/zinc/56/33/65/972563365.db2.gz LSBPDULUYBABJV-RNJOBUHISA-N 2 0 226.364 1.471 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(F)c(OC)c1 ZINC001327415725 972571630 /nfs/dbraw/zinc/57/16/30/972571630.db2.gz MNSZLGUHHVQHFX-SNVBAGLBSA-N 2 0 240.322 1.779 20 0 BDADRP C[C@@H]1CC(N2CCCC[C@@H](C[NH3+])C2)C[C@@H](C)[NH2+]1 ZINC001246580927 972943288 /nfs/dbraw/zinc/94/32/88/972943288.db2.gz JATWVJVGCRILGM-UPJWGTAASA-N 2 0 239.407 1.576 20 0 BDADRP FC1(F)C[C@@]12CC[N@@H+](C1CC[NH2+]CC1)C2 ZINC001246810502 973114272 /nfs/dbraw/zinc/11/42/72/973114272.db2.gz XAJLXPWBBSRUEC-SNVBAGLBSA-N 2 0 216.275 1.470 20 0 BDADRP C[NH+](C)C1CCC([NH2+]C[C@H]2C[C@H](O)C2)CC1 ZINC000720919845 973481422 /nfs/dbraw/zinc/48/14/22/973481422.db2.gz XOEANLIALNVDEI-RGEVVGMBSA-N 2 0 226.364 1.220 20 0 BDADRP CN1CCC12C[NH+](CCC1CC[NH+](C)CC1)C2 ZINC001276725550 970801127 /nfs/dbraw/zinc/80/11/27/970801127.db2.gz AJBAUXGJIZAZSS-UHFFFAOYSA-N 2 0 237.391 1.108 20 0 BDADRP C[C@@H]1CN(CCC[NH2+]C2CCCCC2)C[C@H]1[NH3+] ZINC001206053426 970822764 /nfs/dbraw/zinc/82/27/64/970822764.db2.gz XCIHPBPHJHCLQJ-TZMCWYRMSA-N 2 0 239.407 1.578 20 0 BDADRP CC(C)(C)[NH+]1CCC([N@@H+]2CC[C@@](C)(O)C2)CC1 ZINC001256569915 970868783 /nfs/dbraw/zinc/86/87/83/970868783.db2.gz RYNYHWISYQYMQV-CQSZACIVSA-N 2 0 240.391 1.706 20 0 BDADRP C[C@@H]1C[C@H](O)C[N@@H+]1C1CC[NH+](C(C)(C)C)CC1 ZINC001256569820 970868889 /nfs/dbraw/zinc/86/88/89/970868889.db2.gz PJTZJJGNRMKNCU-YPMHNXCESA-N 2 0 240.391 1.704 20 0 BDADRP C[C@@H](Cc1ccncc1)NC(=[NH2+])SCC[NH3+] ZINC001256720959 970941030 /nfs/dbraw/zinc/94/10/30/970941030.db2.gz HSYWIVFNQWDWAB-VIFPVBQESA-N 2 0 238.360 1.229 20 0 BDADRP C[C@H](Cc1ccncc1)NC(=[NH2+])SCC[NH3+] ZINC001256720956 970941541 /nfs/dbraw/zinc/94/15/41/970941541.db2.gz HSYWIVFNQWDWAB-SECBINFHSA-N 2 0 238.360 1.229 20 0 BDADRP [NH3+]C1CC([NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)C1 ZINC001256792402 970986872 /nfs/dbraw/zinc/98/68/72/970986872.db2.gz JVVVHQPZGJWMQZ-JYVUQVBGSA-N 2 0 246.354 1.986 20 0 BDADRP [NH3+]CC1([NH2+][C@H]2CCO[C@H](c3ccccc3)C2)CC1 ZINC001256804075 970992169 /nfs/dbraw/zinc/99/21/69/970992169.db2.gz LOHWHJMNUPNCES-KBPBESRZSA-N 2 0 246.354 1.988 20 0 BDADRP [NH3+][C@@H]1CCN(C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001256848549 970995297 /nfs/dbraw/zinc/99/52/97/970995297.db2.gz OTDKALOHMFTTFI-GFCCVEGCSA-N 2 0 246.358 1.083 20 0 BDADRP O=C1CC([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001256848719 970998817 /nfs/dbraw/zinc/99/88/17/970998817.db2.gz TUPLFQICSDAOMX-UHFFFAOYSA-N 2 0 245.326 1.372 20 0 BDADRP CC[N@@H+]1CCCN(c2cc(N)cc[nH+]2)CC1 ZINC000307788176 971177235 /nfs/dbraw/zinc/17/72/35/971177235.db2.gz TUWCTKUIPZBFOE-UHFFFAOYSA-N 2 0 220.320 1.196 20 0 BDADRP CCc1cc(-n2cc(C[NH3+])cn2)cc[nH+]1 ZINC000307785203 971177524 /nfs/dbraw/zinc/17/75/24/971177524.db2.gz LXXKSXYNTTYIOJ-UHFFFAOYSA-N 2 0 202.261 1.288 20 0 BDADRP Cc1ccc(C)c(N[C@@H](C)[C@@H]2C[NH2+]CCO2)[nH+]1 ZINC001170563097 971191489 /nfs/dbraw/zinc/19/14/89/971191489.db2.gz KMABNKGZVPKKRB-RYUDHWBXSA-N 2 0 235.331 1.487 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC(F)(F)CC2)C1 ZINC000405062337 971193965 /nfs/dbraw/zinc/19/39/65/971193965.db2.gz PBZGDUVAIALHFE-VHSXEESVSA-N 2 0 218.291 1.845 20 0 BDADRP C[C@@H](Nc1cccn2c[nH+]cc12)[C@@H]1C[NH2+]CCO1 ZINC001170569583 971204684 /nfs/dbraw/zinc/20/46/84/971204684.db2.gz JVMIPCWHCWNLOC-MFKMUULPSA-N 2 0 246.314 1.123 20 0 BDADRP CO[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)C1CC1 ZINC000405218446 971207074 /nfs/dbraw/zinc/20/70/74/971207074.db2.gz AEUIBLAVLUQPBG-UTUOFQBUSA-N 2 0 224.348 1.271 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CCC2(CO)CC2)C12CCC2 ZINC000405220165 971207711 /nfs/dbraw/zinc/20/77/11/971207711.db2.gz ADHADHPKJMRVEZ-MNOVXSKESA-N 2 0 224.348 1.009 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CCO1 ZINC000405234493 971214884 /nfs/dbraw/zinc/21/48/84/971214884.db2.gz CUMANJRASROGKO-FVCCEPFGSA-N 2 0 238.375 1.661 20 0 BDADRP CCC[C@H](C)[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001257317429 971218809 /nfs/dbraw/zinc/21/88/09/971218809.db2.gz YRQMXGJSFWWESQ-ZDUSSCGKSA-N 2 0 227.396 1.354 20 0 BDADRP COCCC1(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000405241088 971221488 /nfs/dbraw/zinc/22/14/88/971221488.db2.gz WCBIUYQMBABUGY-NWDGAFQWSA-N 2 0 238.375 1.663 20 0 BDADRP Cc1nccn1CC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405241006 971222189 /nfs/dbraw/zinc/22/21/89/971222189.db2.gz BBKWPHORIJYHHH-NEPJUHHUSA-N 2 0 234.347 1.051 20 0 BDADRP Cc1cc(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)ccn1 ZINC000405320045 971230782 /nfs/dbraw/zinc/23/07/82/971230782.db2.gz RAFVPGYLZYXBFE-QWHCGFSZSA-N 2 0 231.343 1.750 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2CCC=CO2)C12CCC2 ZINC000405304297 971232227 /nfs/dbraw/zinc/23/22/27/971232227.db2.gz KARTVPBTSNJGLQ-TUAOUCFPSA-N 2 0 222.332 1.539 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCCCCO)C12CCC2 ZINC000405304379 971233328 /nfs/dbraw/zinc/23/33/28/971233328.db2.gz LISGSUIQRZWMIZ-GHMZBOCLSA-N 2 0 212.337 1.009 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]CCC(F)(F)F)C12CCC2 ZINC000405303346 971233633 /nfs/dbraw/zinc/23/36/33/971233633.db2.gz KUFQFNUCHCMRCJ-JGVFFNPUSA-N 2 0 222.254 1.798 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCSC2)C12CCC2 ZINC000405329053 971236544 /nfs/dbraw/zinc/23/65/44/971236544.db2.gz VVGDBELJSZAWST-IVZWLZJFSA-N 2 0 212.362 1.351 20 0 BDADRP C[C@H](CCO)CC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405322910 971236974 /nfs/dbraw/zinc/23/69/74/971236974.db2.gz VSUUUKKEPLUNKW-QJPTWQEYSA-N 2 0 226.364 1.255 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]C2CCC([NH3+])CC2)C12CCC2 ZINC000405332829 971237611 /nfs/dbraw/zinc/23/76/11/971237611.db2.gz FAFPIMWRDKEKCN-MMVSWEMESA-N 3 0 223.364 1.116 20 0 BDADRP CC[C@H](O)CC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405362844 971241078 /nfs/dbraw/zinc/24/10/78/971241078.db2.gz VBMRQNXIBBUYNI-HBNTYKKESA-N 2 0 212.337 1.007 20 0 BDADRP CC[C@H](O)CC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405362840 971241225 /nfs/dbraw/zinc/24/12/25/971241225.db2.gz VBMRQNXIBBUYNI-DCAQKATOSA-N 2 0 212.337 1.007 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405344097 971242044 /nfs/dbraw/zinc/24/20/44/971242044.db2.gz JXZZSHILTZYLSX-XQQFMLRXSA-N 2 0 239.407 1.576 20 0 BDADRP CC[C@H](CCO)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405370604 971242406 /nfs/dbraw/zinc/24/24/06/971242406.db2.gz YVVJYIYRCBDJRZ-MXWKQRLJSA-N 2 0 212.337 1.007 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405361568 971242923 /nfs/dbraw/zinc/24/29/23/971242923.db2.gz ULVUEDWPZHDPRA-DCAQKATOSA-N 2 0 212.337 1.007 20 0 BDADRP CC[NH+](CC)CCCN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405355400 971243108 /nfs/dbraw/zinc/24/31/08/971243108.db2.gz QPHWKFXOQDPOAD-STQMWFEESA-N 2 0 239.407 1.578 20 0 BDADRP CCC(CC)(CO)C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405368711 971246437 /nfs/dbraw/zinc/24/64/37/971246437.db2.gz XWGSMCLWINXFOM-NWDGAFQWSA-N 2 0 240.391 1.645 20 0 BDADRP CCC(O)(CC)C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405388004 971247012 /nfs/dbraw/zinc/24/70/12/971247012.db2.gz FPOXILWSTAIDBR-GHMZBOCLSA-N 2 0 226.364 1.397 20 0 BDADRP CCC(CC)(CO)C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405368710 971249284 /nfs/dbraw/zinc/24/92/84/971249284.db2.gz XWGSMCLWINXFOM-NEPJUHHUSA-N 2 0 240.391 1.645 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]CC2(CCO)CC2)C12CCC2 ZINC000405394851 971250119 /nfs/dbraw/zinc/25/01/19/971250119.db2.gz HZZXNDBJCYTKJO-WDEREUQCSA-N 2 0 224.348 1.009 20 0 BDADRP C[C@@H]1OC[C@H]([NH2+]CCC[NH+]2CCCCC2)[C@@H]1C ZINC000405551412 971269840 /nfs/dbraw/zinc/26/98/40/971269840.db2.gz SFKZOHJLFBNUFO-RDBSUJKOSA-N 2 0 240.391 1.875 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCOc2ccccc2)C12CCC2 ZINC000405535457 971270175 /nfs/dbraw/zinc/27/01/75/971270175.db2.gz ZNKMEQDMZYMAOX-ZIAGYGMSSA-N 2 0 246.354 1.925 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@H]1CO[C@H](C)[C@H]1C ZINC000405590551 971278596 /nfs/dbraw/zinc/27/85/96/971278596.db2.gz AUSYCSAQXQXMDS-JHJVBQTASA-N 2 0 228.380 1.731 20 0 BDADRP C[C@@H]1OC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)[C@@H]1C ZINC000405562668 971276223 /nfs/dbraw/zinc/27/62/23/971276223.db2.gz ARABXHXDVHKTKV-BJJPWKGXSA-N 2 0 238.375 1.626 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC001329756239 971323937 /nfs/dbraw/zinc/32/39/37/971323937.db2.gz ZDIRJBKHEKPOLE-HZSPNIEDSA-N 2 0 237.391 1.060 20 0 BDADRP C[NH2+][C@@H](CCCC[NH3+])c1nnc(CC(C)C)o1 ZINC001217702342 971343045 /nfs/dbraw/zinc/34/30/45/971343045.db2.gz BJPQVJHTFQAIFS-JTQLQIEISA-N 2 0 240.351 1.658 20 0 BDADRP F[C@H]1CC[NH2+]C[C@@H]1OCCCC1CC[NH2+]CC1 ZINC001217768084 971392633 /nfs/dbraw/zinc/39/26/33/971392633.db2.gz UACQUXOVILJRLR-STQMWFEESA-N 2 0 244.354 1.483 20 0 BDADRP [NH3+]CCCCCCCO[C@H]1C[NH2+]CC[C@@H]1F ZINC001217767779 971392799 /nfs/dbraw/zinc/39/27/99/971392799.db2.gz IIQRYYJBUDYFNG-RYUDHWBXSA-N 2 0 232.343 1.612 20 0 BDADRP [NH3+]Cc1cccc(CO[C@@H]2CCCC[NH2+]C2)c1 ZINC001217770697 971396176 /nfs/dbraw/zinc/39/61/76/971396176.db2.gz VMAWRVINAFXIQP-CQSZACIVSA-N 2 0 234.343 1.804 20 0 BDADRP C(O[C@H]1CCCC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC001217774697 971396475 /nfs/dbraw/zinc/39/64/75/971396475.db2.gz ZCPSXNBSJRFJHM-RYUDHWBXSA-N 2 0 212.337 1.145 20 0 BDADRP C(O[C@@H]1CCCC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC001217774695 971397656 /nfs/dbraw/zinc/39/76/56/971397656.db2.gz ZCPSXNBSJRFJHM-NWDGAFQWSA-N 2 0 212.337 1.145 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1OCC1(C)CC[NH2+]CC1 ZINC001217791953 971410600 /nfs/dbraw/zinc/41/06/00/971410600.db2.gz YXXFJDJJOSPFQR-CHWSQXEVSA-N 2 0 240.391 1.781 20 0 BDADRP CC(C)[C@H]([NH3+])CO[C@H]1CCC[C@]12CC[NH2+]C2 ZINC001217798499 971411845 /nfs/dbraw/zinc/41/18/45/971411845.db2.gz BJRPAMLIYWSWBF-FRRDWIJNSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1OCCC[C@H]1CCC[NH2+]C1 ZINC001217791676 971412197 /nfs/dbraw/zinc/41/21/97/971412197.db2.gz ZAZHFFKQTADBOD-JHJVBQTASA-N 2 0 226.364 1.391 20 0 BDADRP [NH3+]CCCCCCCO[C@H]1[C@@H]2C[C@H]1C[NH2+]C2 ZINC001217814174 971417076 /nfs/dbraw/zinc/41/70/76/971417076.db2.gz DUYWQSGRJCRFNB-ITGUQSILSA-N 2 0 226.364 1.520 20 0 BDADRP CC(C)(C)[NH+]1CC(OC[C@H]2CCC[NH2+]C2)C1 ZINC001217829388 971423516 /nfs/dbraw/zinc/42/35/16/971423516.db2.gz JHZWUCUDLWNQIS-NSHDSACASA-N 2 0 226.364 1.485 20 0 BDADRP [NH3+]CCCCCCO[C@@H]1CCC[NH2+]C1 ZINC001217861702 971455381 /nfs/dbraw/zinc/45/53/81/971455381.db2.gz ZYBPSBCVCQHMDH-LLVKDONJSA-N 2 0 200.326 1.274 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](OC[C@H]2CCC[NH2+]C2)C1 ZINC001217865243 971458281 /nfs/dbraw/zinc/45/82/81/971458281.db2.gz IZLZXTVQCCCKAB-STQMWFEESA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H](c1ccccn1)[N@@H+]1CC[C@@H](OCCC[NH3+])C1 ZINC001217908586 971509632 /nfs/dbraw/zinc/50/96/32/971509632.db2.gz JWSBSJMJYJQGOE-CHWSQXEVSA-N 2 0 249.358 1.582 20 0 BDADRP C[C@@H]1CC[C@H](OCCC[C@@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001217910954 971511832 /nfs/dbraw/zinc/51/18/32/971511832.db2.gz KODINBHPLDFZJW-RDBSUJKOSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]1CC[C@H](OCCC[C@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001217910948 971512466 /nfs/dbraw/zinc/51/24/66/971512466.db2.gz KODINBHPLDFZJW-MCIONIFRSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H]1CC[C@H](OCC(C)(C)C[NH3+])C[NH2+]1 ZINC001217910520 971512559 /nfs/dbraw/zinc/51/25/59/971512559.db2.gz JFESKDPYKPAFQH-UWVGGRQHSA-N 2 0 200.326 1.128 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@H]1OCCC[C@H]1CCC[NH2+]C1 ZINC001217916858 971515192 /nfs/dbraw/zinc/51/51/92/971515192.db2.gz MWRTXCWWHSPMFG-MGPQQGTHSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1OCCC[C@H]1CCC[NH2+]C1 ZINC001217916857 971515812 /nfs/dbraw/zinc/51/58/12/971515812.db2.gz MWRTXCWWHSPMFG-MCIONIFRSA-N 2 0 240.391 1.781 20 0 BDADRP [NH3+]Cc1ccccc1O[C@H]1CCC[NH2+]C[C@H]1F ZINC001217947578 971542482 /nfs/dbraw/zinc/54/24/82/971542482.db2.gz JEFKQAYVMNSWTN-YPMHNXCESA-N 2 0 238.306 1.614 20 0 BDADRP F[C@H]1CC[NH2+]C[C@@H]1Oc1cccc2c1C[NH2+]C2 ZINC001217958617 971544604 /nfs/dbraw/zinc/54/46/04/971544604.db2.gz FYVXJHZNRVSHPQ-AAEUAGOBSA-N 2 0 236.290 1.369 20 0 BDADRP CC(C)C[NH+]1CCC([NH+]2CC=CC2)CC1 ZINC001258011075 971552953 /nfs/dbraw/zinc/55/29/53/971552953.db2.gz IFWJQTSVEGYVMG-UHFFFAOYSA-N 2 0 208.349 1.979 20 0 BDADRP CC(C)C[NH+]1CCC([NH2+]CCC2COC2)CC1 ZINC001258003355 971555242 /nfs/dbraw/zinc/55/52/42/971555242.db2.gz HBFOOWAHUOKACO-UHFFFAOYSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1C[C@@H](Oc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C[NH2+]1 ZINC001218040969 971584109 /nfs/dbraw/zinc/58/41/09/971584109.db2.gz CIDULVWBIXEMPN-WBMYTEFPSA-N 2 0 232.327 1.630 20 0 BDADRP C[C@@H]1C[C@@H](Oc2ccc3c(n2)CC[NH2+]C3)CC[NH2+]1 ZINC001218059059 971594774 /nfs/dbraw/zinc/59/47/74/971594774.db2.gz IPWZIHOCKDEOLE-PWSUYJOCSA-N 2 0 247.342 1.247 20 0 BDADRP C[C@@H]1C[C@H](Oc2cccc3c2C[NH2+]C3)CC[NH2+]1 ZINC001218059460 971595645 /nfs/dbraw/zinc/59/56/45/971595645.db2.gz JLAOAPQMFRQSHQ-ZYHUDNBSSA-N 2 0 232.327 1.809 20 0 BDADRP [NH3+]Cc1cccc(OC[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC001218074817 971599090 /nfs/dbraw/zinc/59/90/90/971599090.db2.gz VWTUKTUFWLZKGD-ZDUSSCGKSA-N 2 0 248.326 1.045 20 0 BDADRP c1cc(O[C@@H]2CC[C@@]23CC[NH2+]C3)cc2c1C[NH2+]C2 ZINC001218114871 971600470 /nfs/dbraw/zinc/60/04/70/971600470.db2.gz DKMPZKDPWNHRHV-CABCVRRESA-N 2 0 244.338 1.811 20 0 BDADRP c1cc2c(c(O[C@@H]3CC[C@@]34CC[NH2+]C4)c1)C[NH2+]C2 ZINC001218119662 971600863 /nfs/dbraw/zinc/60/08/63/971600863.db2.gz RJBDTFAIJDJTCT-CABCVRRESA-N 2 0 244.338 1.811 20 0 BDADRP [NH3+]Cc1cccc(O[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001218130486 971605019 /nfs/dbraw/zinc/60/50/19/971605019.db2.gz ZQBYOOCAZJACLQ-KBPBESRZSA-N 2 0 248.326 1.045 20 0 BDADRP C[N@@H+]1CCN(C[C@@]2(C)CC[NH2+]C2)CC1(C)C ZINC000216750371 971646864 /nfs/dbraw/zinc/64/68/64/971646864.db2.gz HHWITQUOWGMGAY-ZDUSSCGKSA-N 2 0 225.380 1.012 20 0 BDADRP CC1(C)[C@@H]2C[C@@H](NC(=[NH2+])SCC[NH3+])C[C@@H]21 ZINC001170720042 971648339 /nfs/dbraw/zinc/64/83/39/971648339.db2.gz HZPHJKBSWJSGGG-PSVAKVPMSA-N 2 0 227.377 1.637 20 0 BDADRP N[C@H]1CC[N@H+](CC2CCOCC2)CC[C@@H]1F ZINC001206156759 974328310 /nfs/dbraw/zinc/32/83/10/974328310.db2.gz SPDJDMWADWFCED-RYUDHWBXSA-N 2 0 230.327 1.174 20 0 BDADRP C[NH+](C)CCCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172099173 974337298 /nfs/dbraw/zinc/33/72/98/974337298.db2.gz GHGCLWDKUJIKTK-ZSOGYDGISA-N 2 0 239.407 1.543 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1ccnc1CC[NH3+])C2 ZINC001172100558 974343246 /nfs/dbraw/zinc/34/32/46/974343246.db2.gz FBCSCYBZPDUOJK-ITGUQSILSA-N 2 0 248.374 1.572 20 0 BDADRP c1cc2c(c(O[C@H]3C=CC[NH2+]C3)c1)C[NH2+]C2 ZINC001218334279 971714953 /nfs/dbraw/zinc/71/49/53/971714953.db2.gz NKGWGWIBXBVQIP-NSHDSACASA-N 2 0 216.284 1.197 20 0 BDADRP C[C@H]1CC[C@@H](Oc2ccc3c(n2)CC[NH2+]C3)C[NH2+]1 ZINC001218401001 971776666 /nfs/dbraw/zinc/77/66/66/971776666.db2.gz GECJHXPELSSJBK-CMPLNLGQSA-N 2 0 247.342 1.247 20 0 BDADRP [NH3+]CCc1ccc(O[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]23)cc1 ZINC001218473321 971827950 /nfs/dbraw/zinc/82/79/50/971827950.db2.gz QNVGJBNPKNREIG-BPLDGKMQSA-N 2 0 246.354 1.565 20 0 BDADRP C[C@H]1CC[C@@H](C[NH3+])N1C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001246538225 972533405 /nfs/dbraw/zinc/53/34/05/972533405.db2.gz NBVBBPXALHFJMR-VJBQPNPTSA-N 2 0 237.391 1.423 20 0 BDADRP C[C@@H]([NH3+])CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309918353 971880275 /nfs/dbraw/zinc/88/02/75/971880275.db2.gz PLIWBFHGYQGLHM-UKRRQHHQSA-N 2 0 247.386 1.540 20 0 BDADRP C[NH+](C)CC1CC[NH+]([C@H]2CCCOCC2)CC1 ZINC001170824027 971921144 /nfs/dbraw/zinc/92/11/44/971921144.db2.gz XQQPETAVHOYTRD-AWEZNQCLSA-N 2 0 240.391 1.829 20 0 BDADRP Cc1cc(C)c(NC(=O)[C@H]([NH3+])CCC[NH3+])cc1C ZINC001219007151 971973122 /nfs/dbraw/zinc/97/31/22/971973122.db2.gz JPSXUYVUQDVUOR-GFCCVEGCSA-N 2 0 249.358 1.617 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)[C@]23CC[C@@H]2C[NH2+]C3)cc1 ZINC001219345403 972003263 /nfs/dbraw/zinc/00/32/63/972003263.db2.gz MMDMAGNQCILLGL-RISCZKNCSA-N 2 0 245.326 1.083 20 0 BDADRP C[C@@H]([NH3+])CCNc1cccc2c1CC[C@H]2[NH3+] ZINC001170891354 972045631 /nfs/dbraw/zinc/04/56/31/972045631.db2.gz XIOWKDSQGLKZLO-BXKDBHETSA-N 2 0 219.332 1.782 20 0 BDADRP Cc1c(Cl)ccnc1N[C@H]([NH3+])CCC[NH3+] ZINC001170899301 972057872 /nfs/dbraw/zinc/05/78/72/972057872.db2.gz UEVHLZDLLOQHFS-VIFPVBQESA-N 2 0 228.727 1.479 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1cccc2ccc(=O)oc21 ZINC001170899025 972060216 /nfs/dbraw/zinc/06/02/16/972060216.db2.gz GXCYACHXDPLYIT-LLVKDONJSA-N 2 0 247.298 1.229 20 0 BDADRP Cc1ccc(N[C@@H]([NH3+])CCC[NH3+])c2[nH]ccc21 ZINC001170899433 972061044 /nfs/dbraw/zinc/06/10/44/972061044.db2.gz BZDIOWCRJPVKEC-GFCCVEGCSA-N 2 0 232.331 1.912 20 0 BDADRP C[C@H]1c2ccc(N[C@@H]([NH3+])CCC[NH3+])cc2NC1=O ZINC001170899416 972061458 /nfs/dbraw/zinc/06/14/58/972061458.db2.gz JWFAOFDCZGPFJF-QPUJVOFHSA-N 2 0 248.330 1.178 20 0 BDADRP Cc1ccc(N)cc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170900854 972068669 /nfs/dbraw/zinc/06/86/69/972068669.db2.gz YRHGLJXGGSSCAN-LLVKDONJSA-N 2 0 208.309 1.013 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc2c(c1)CCO2 ZINC001170900061 972063724 /nfs/dbraw/zinc/06/37/24/972063724.db2.gz ORNMQWIPOGWZTA-GFCCVEGCSA-N 2 0 221.304 1.057 20 0 BDADRP Cc1c[nH]c2c1cccc2N[C@@H]([NH3+])CCC[NH3+] ZINC001170900513 972063830 /nfs/dbraw/zinc/06/38/30/972063830.db2.gz MGLXNKYCBFNHAX-GFCCVEGCSA-N 2 0 232.331 1.912 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc2c(c1)CCC2 ZINC001170899729 972063984 /nfs/dbraw/zinc/06/39/84/972063984.db2.gz LYPSXKUZDPHXAV-CYBMUJFWSA-N 2 0 219.332 1.611 20 0 BDADRP COc1ccc(N[C@@H]([NH3+])CCC[NH3+])c(C)c1 ZINC001170899741 972065999 /nfs/dbraw/zinc/06/59/99/972065999.db2.gz MCKWINKTOMGRKV-GFCCVEGCSA-N 2 0 223.320 1.439 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc2c(c1)CCOC2 ZINC001170900380 972066156 /nfs/dbraw/zinc/06/61/56/972066156.db2.gz SXSJPGCCZUUYNR-ZDUSSCGKSA-N 2 0 235.331 1.195 20 0 BDADRP Cc1cc(N[C@H]([NH3+])CCC[NH3+])ccc1N ZINC001170901002 972067315 /nfs/dbraw/zinc/06/73/15/972067315.db2.gz SUEMTVPWFGLMRG-NSHDSACASA-N 2 0 208.309 1.013 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1cccc2[nH]cc(F)c21 ZINC001170900609 972067676 /nfs/dbraw/zinc/06/76/76/972067676.db2.gz MKXWYSWAQWPWHJ-NSHDSACASA-N 2 0 236.294 1.743 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1cc2[nH]cnc2c(F)c1 ZINC001170904760 972079926 /nfs/dbraw/zinc/07/99/26/972079926.db2.gz OWFZAIRDNQDEER-JTQLQIEISA-N 2 0 237.282 1.138 20 0 BDADRP Cc1ccc(Cl)c(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001159779317 972108272 /nfs/dbraw/zinc/10/82/72/972108272.db2.gz FHAGJIVGYOQMBJ-SECBINFHSA-N 2 0 228.727 1.479 20 0 BDADRP Cc1ccnc(N[C@H]([NH3+])CCC[NH3+])c1Cl ZINC001159783973 972110589 /nfs/dbraw/zinc/11/05/89/972110589.db2.gz FTJAOYZSGWDIKO-QMMMGPOBSA-N 2 0 228.727 1.479 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1nncc2ccc(F)cc21 ZINC001159784630 972110603 /nfs/dbraw/zinc/11/06/03/972110603.db2.gz KKUSVVYOJQVHJE-LLVKDONJSA-N 2 0 249.293 1.205 20 0 BDADRP C[C@H]([NH3+])CC[NH2+]C[C@H](O)c1ccccc1 ZINC001245990771 972112027 /nfs/dbraw/zinc/11/20/27/972112027.db2.gz AOMIJOVFCUQXMW-JQWIXIFHSA-N 2 0 208.305 1.047 20 0 BDADRP C[C@@H]1CCc2nnc(N[C@@H]([NH3+])CCC[NH3+])cc2C1 ZINC001159788747 972115190 /nfs/dbraw/zinc/11/51/90/972115190.db2.gz LMNLCTJBLUQOJV-BXKDBHETSA-N 2 0 249.362 1.037 20 0 BDADRP CC[C@@H]1C[C@H](NC2CC[NH2+]CC2)C[C@H](CC)[NH2+]1 ZINC001246081876 972137273 /nfs/dbraw/zinc/13/72/73/972137273.db2.gz URFWNFOCTHRBMO-IMRBUKKESA-N 2 0 239.407 1.637 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C[C@@H]2CC[C@@H](F)C2)CC[NH2+]1 ZINC001246089859 972143961 /nfs/dbraw/zinc/14/39/61/972143961.db2.gz CAHRANNIXDARLX-IRCOFANPSA-N 2 0 214.328 1.855 20 0 BDADRP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](F)CC2)CC[NH2+]1 ZINC001246090501 972144336 /nfs/dbraw/zinc/14/43/36/972144336.db2.gz YBQVRBWLHOAEFF-YFKTTZPYSA-N 2 0 214.328 1.997 20 0 BDADRP C[C@H]1C[NH2+]C[C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246095532 972149578 /nfs/dbraw/zinc/14/95/78/972149578.db2.gz BLPFLHFPLATWEM-ZBBUEOHVSA-N 2 0 237.391 1.105 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[NH2+]C[C@@H]2C)CN1 ZINC001246098743 972153179 /nfs/dbraw/zinc/15/31/79/972153179.db2.gz RYGOXWMRVFATLN-CRWXNKLISA-N 2 0 239.407 1.352 20 0 BDADRP C[C@@H](Cc1ccncc1)[NH2+]C[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001246100654 972159291 /nfs/dbraw/zinc/15/92/91/972159291.db2.gz OPLKRJICCQSVCW-YDHLFZDLSA-N 2 0 247.386 1.848 20 0 BDADRP C[C@@H]1CC(N[C@@H]2C[NH2+]CC[C@H]2C)C[C@@H](C)[NH2+]1 ZINC001246102475 972161257 /nfs/dbraw/zinc/16/12/57/972161257.db2.gz PDVWIGAHNKASIH-PRULPYPASA-N 2 0 225.380 1.103 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[NH2+]C[C@@H](C)C2)CCO1 ZINC001246104002 972163698 /nfs/dbraw/zinc/16/36/98/972163698.db2.gz UDTVGNUNEBDIGL-LOWDOPEQSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246106687 972169543 /nfs/dbraw/zinc/16/95/43/972169543.db2.gz DXKKBSVZILMTNH-VJTDZRGJSA-N 2 0 237.391 1.247 20 0 BDADRP CC[NH+]1CCC(NC[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC001246106783 972170198 /nfs/dbraw/zinc/17/01/98/972170198.db2.gz FTFLTENTOGJJOR-QWHCGFSZSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH2+][C@H]2C)CCO1 ZINC001246108942 972171349 /nfs/dbraw/zinc/17/13/49/972171349.db2.gz IYKJCQZMVROWDN-CYDGBPFRSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@H](Cc1ccccn1)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1C ZINC001246108603 972173044 /nfs/dbraw/zinc/17/30/44/972173044.db2.gz CNXWMXYSVDHHTH-MJBXVCDLSA-N 2 0 247.386 1.848 20 0 BDADRP C[C@@H]1CC[C@@H](NC[C@]23CCC[C@H]2C[NH2+]C3)C[NH2+]1 ZINC001246124557 972185639 /nfs/dbraw/zinc/18/56/39/972185639.db2.gz BLXSVGHDUKJSNT-XJFOESAGSA-N 2 0 237.391 1.106 20 0 BDADRP COc1cccc(CC[NH2+][C@@H]2CC[NH2+][C@H](C)C2)n1 ZINC001246119237 972183231 /nfs/dbraw/zinc/18/32/31/972183231.db2.gz JADBSJGXWNDONT-DGCLKSJQSA-N 2 0 249.358 1.363 20 0 BDADRP C[C@H](Cc1ccccn1)[NH2+]C[C@@H]1CCC[NH2+][C@@H]1C ZINC001246115373 972183294 /nfs/dbraw/zinc/18/32/94/972183294.db2.gz YPYJWTRUUDOVNE-MCIONIFRSA-N 2 0 247.386 1.990 20 0 BDADRP COc1cccc(CC[NH2+][C@H]2CC[NH2+][C@H](C)C2)n1 ZINC001246119268 972183917 /nfs/dbraw/zinc/18/39/17/972183917.db2.gz JADBSJGXWNDONT-YPMHNXCESA-N 2 0 249.358 1.363 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2CCC[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC001246119629 972186651 /nfs/dbraw/zinc/18/66/51/972186651.db2.gz WRTCEFPMHBYMRI-UMSGYPCISA-N 2 0 225.380 1.105 20 0 BDADRP C1CC12C[NH2+]C[C@H]2N[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246132838 972190320 /nfs/dbraw/zinc/19/03/20/972190320.db2.gz MLXAVFPRPIFULZ-YVECIDJPSA-N 2 0 235.375 1.001 20 0 BDADRP [NH3+]CCc1nc2ccccc2n1[C@@H]1CCC[NH2+]C1 ZINC001246169608 972200735 /nfs/dbraw/zinc/20/07/35/972200735.db2.gz CXWJTHVZPNVPQX-LLVKDONJSA-N 2 0 244.342 1.462 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+]2)CCO1 ZINC001246186111 972210519 /nfs/dbraw/zinc/21/05/19/972210519.db2.gz FDAYLNHVRKYWND-IJLUTSLNSA-N 2 0 212.337 1.286 20 0 BDADRP O[C@@H](CC[NH2+]C1CC[NH2+]CC1)c1ccccc1 ZINC001246213424 972219530 /nfs/dbraw/zinc/21/95/30/972219530.db2.gz UYQRXJAYOSNBTR-AWEZNQCLSA-N 2 0 234.343 1.452 20 0 BDADRP Cc1cc(N2CCN(CC[NH+](C)C)CC2)cc[nH+]1 ZINC001208130007 956977296 /nfs/dbraw/zinc/97/72/96/956977296.db2.gz QQIRSOJMHWDOQR-UHFFFAOYSA-N 2 0 248.374 1.074 20 0 BDADRP C[C@H](CCCC(C)(C)O)[NH2+]C1CC[NH2+]CC1 ZINC001246229016 972232913 /nfs/dbraw/zinc/23/29/13/972232913.db2.gz HWXSLQDELSQOEZ-LLVKDONJSA-N 2 0 228.380 1.658 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246231561 972239036 /nfs/dbraw/zinc/23/90/36/972239036.db2.gz NKYMGQZAHXTXQH-AGIUHOORSA-N 3 0 225.380 1.106 20 0 BDADRP C[C@@H]1C[C@@H](N(C(N)=[NH2+])c2ccccc2)CC[NH2+]1 ZINC001246235157 972241026 /nfs/dbraw/zinc/24/10/26/972241026.db2.gz IZGZZLVCAUMZFY-PWSUYJOCSA-N 2 0 232.331 1.527 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C2CCCCC2)CC[NH2+]1 ZINC001246278974 972253009 /nfs/dbraw/zinc/25/30/09/972253009.db2.gz COYPDEQGTCYBIX-XBFCOCLRSA-N 2 0 240.391 1.658 20 0 BDADRP CC1(C)C[C@@H]([N@@H+]2CCCC[C@H](C[NH3+])C2)CO1 ZINC000396923831 957364079 /nfs/dbraw/zinc/36/40/79/957364079.db2.gz LCXZRHAJJNVGNX-VXGBXAGGSA-N 2 0 226.364 1.615 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CNc3ccccc3C2)CC[NH2+]1 ZINC001246306708 972267840 /nfs/dbraw/zinc/26/78/40/972267840.db2.gz XRWUOOZIBSGTBX-MRVWCRGKSA-N 2 0 245.370 1.753 20 0 BDADRP C[C@H]1C[C@H](n2cc3ccc(C[NH3+])cc3n2)CC[NH2+]1 ZINC001246321219 972278994 /nfs/dbraw/zinc/27/89/94/972278994.db2.gz AWJSNFAPENGSTP-GXFFZTMASA-N 2 0 244.342 1.808 20 0 BDADRP Cc1cc2[nH+]ccn2cc1N[C@H]1CC[N@@H+](C)C1 ZINC001167278847 957627312 /nfs/dbraw/zinc/62/73/12/957627312.db2.gz VLMDUNLOKCFKHN-NSHDSACASA-N 2 0 230.315 1.759 20 0 BDADRP C[C@H]1CC[NH2+]C[C@@H]1N[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246323832 972286551 /nfs/dbraw/zinc/28/65/51/972286551.db2.gz CEMBTSOQRCXQRV-SRVKXCTJSA-N 2 0 225.380 1.105 20 0 BDADRP Cc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC13C[NH2+]C3)CC2 ZINC001246445444 972314104 /nfs/dbraw/zinc/31/41/04/972314104.db2.gz OHLLIHQZAFXKRY-CABCVRRESA-N 2 0 242.366 1.804 20 0 BDADRP C[NH+]1CCC(C[NH2+]C2(CO)CCCC2)CC1 ZINC000054243957 958036104 /nfs/dbraw/zinc/03/61/04/958036104.db2.gz UTURDFKKSAMSKL-UHFFFAOYSA-N 2 0 226.364 1.223 20 0 BDADRP CCC(CC)[NH2+]CCCNCCC[NH3+] ZINC001246454382 972322934 /nfs/dbraw/zinc/32/29/34/972322934.db2.gz SATABTQGDXZGHG-UHFFFAOYSA-N 2 0 201.358 1.093 20 0 BDADRP CC[C@@]1(CN[C@H]2CC[NH2+]C(C)(C)C2)CCC[NH2+]1 ZINC001246454187 972324165 /nfs/dbraw/zinc/32/41/65/972324165.db2.gz AHCMIUDMIKVSDX-JSGCOSHPSA-N 2 0 239.407 1.639 20 0 BDADRP CC(C)[C@@H]1C[C@@H](NC[C@@]2(C)CCC[NH2+]2)CC[NH2+]1 ZINC001246456658 972327991 /nfs/dbraw/zinc/32/79/91/972327991.db2.gz NURNVZUTWMDABN-MELADBBJSA-N 2 0 239.407 1.495 20 0 BDADRP CCCC[C@@H]1C[C@@H](NCC[NH2+]C(C)C)CC[NH2+]1 ZINC001246459073 972333202 /nfs/dbraw/zinc/33/32/02/972333202.db2.gz IZNRZFXUAMOOET-KGLIPLIRSA-N 2 0 241.423 1.885 20 0 BDADRP C[C@@H]1C[C@H](N[C@]2(C)CCC[N@H+](C)C2)CC[NH2+]1 ZINC001246461949 972338002 /nfs/dbraw/zinc/33/80/02/972338002.db2.gz QNHICDIDRGYEMA-JHJVBQTASA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H]1CC[C@@H](N[C@]2(C)CCC[N@H+](C)C2)C[NH2+]1 ZINC001246464689 972338901 /nfs/dbraw/zinc/33/89/01/972338901.db2.gz SNIAJACDFCIFSS-JHJVBQTASA-N 2 0 225.380 1.201 20 0 BDADRP CCC1(O)CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000707277817 958438624 /nfs/dbraw/zinc/43/86/24/958438624.db2.gz PPQSQFMBFZTFHK-UHFFFAOYSA-N 2 0 226.364 1.223 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)NCC3)CC[NH2+]1 ZINC001246475060 972347746 /nfs/dbraw/zinc/34/77/46/972347746.db2.gz REQLGVXXQKPKQS-RISCZKNCSA-N 2 0 245.370 1.885 20 0 BDADRP C[C@@H]1CC[C@H](NC[C@@H]2CCCC[N@@H+]2C)C[NH2+]1 ZINC000399008861 958486382 /nfs/dbraw/zinc/48/63/82/958486382.db2.gz BJEIVOYMMXXVRX-AGIUHOORSA-N 2 0 225.380 1.201 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](N[C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000399037711 958492234 /nfs/dbraw/zinc/49/22/34/958492234.db2.gz OXZCZHLZYHMZTH-FRRDWIJNSA-N 2 0 225.380 1.199 20 0 BDADRP C[C@H]1CC[C@H](NCCc2ccc(C[NH3+])cc2)C[NH2+]1 ZINC001246487016 972352915 /nfs/dbraw/zinc/35/29/15/972352915.db2.gz YWPLLVZMVIUECX-WFASDCNBSA-N 3 0 247.386 1.418 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C2(C3CC[NH2+]CC3)CC2)CC[NH2+]1 ZINC001246503893 972362307 /nfs/dbraw/zinc/36/23/07/972362307.db2.gz MRRDMKAQJPYEOZ-DGCLKSJQSA-N 3 0 237.391 1.249 20 0 BDADRP CC(C)C[C@@H](C[NH3+])N[C@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246501671 972363798 /nfs/dbraw/zinc/36/37/98/972363798.db2.gz BPEPJALSAZDJHR-MELADBBJSA-N 2 0 241.423 1.726 20 0 BDADRP C([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)[C@]12C[C@H]1CCC2 ZINC000693521873 958659647 /nfs/dbraw/zinc/65/96/47/958659647.db2.gz KVLXUHKWYHOAJE-XSGSKYOYSA-N 2 0 232.371 1.763 20 0 BDADRP C[NH2+]CCN(C)[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246522956 972372852 /nfs/dbraw/zinc/37/28/52/972372852.db2.gz KIYCOXDIBGGCQD-LSDHHAIUSA-N 2 0 247.386 1.631 20 0 BDADRP CO[C@@H]1CC[C@@H]1[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000724154697 958741470 /nfs/dbraw/zinc/74/14/70/958741470.db2.gz YRLBVXXLCLSXGT-FRRDWIJNSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1nccs1 ZINC000693546430 958757605 /nfs/dbraw/zinc/75/76/05/958757605.db2.gz OSIMDJARZISEPE-CIUDSAMLSA-N 2 0 211.334 1.531 20 0 BDADRP COC1CC[NH+](CC(C)(C)C[NH+](C)C)CC1 ZINC001207276045 958847069 /nfs/dbraw/zinc/84/70/69/958847069.db2.gz TVDPIKBPRSNLGK-UHFFFAOYSA-N 2 0 228.380 1.685 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCc3sccc3C2)C1 ZINC000693569344 958865192 /nfs/dbraw/zinc/86/51/92/958865192.db2.gz PUUOSTILRDNVDZ-JGZJWPJOSA-N 2 0 222.357 1.844 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC001327059687 972386176 /nfs/dbraw/zinc/38/61/76/972386176.db2.gz NHHWBZLKCONLEI-WOPDTQHZSA-N 2 0 241.379 1.138 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC3(CC3(F)F)CC2)C1 ZINC000693598132 958931035 /nfs/dbraw/zinc/93/10/35/958931035.db2.gz YOZQDNFHIHZGPQ-AOOOYVTPSA-N 2 0 230.302 1.845 20 0 BDADRP C([C@@H]1CCCC[NH2+]1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222141701 972388901 /nfs/dbraw/zinc/38/89/01/972388901.db2.gz QSWMXJKYKILMBZ-UONOGXRCSA-N 2 0 237.391 1.204 20 0 BDADRP [NH3+]C1CC2(C1)CC[NH+](CCCCCO)CC2 ZINC001222210963 972407097 /nfs/dbraw/zinc/40/70/97/972407097.db2.gz AXZSRURPHZJOFN-UHFFFAOYSA-N 2 0 226.364 1.352 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](CC=C(Cl)Cl)C1 ZINC000690754306 959223589 /nfs/dbraw/zinc/22/35/89/959223589.db2.gz IUNFBCKPCNDEGI-QMMMGPOBSA-N 2 0 223.147 1.976 20 0 BDADRP Cc1nc(CN2CCC[C@@]23CCC[NH2+]C3)c[nH]1 ZINC001222249513 972421899 /nfs/dbraw/zinc/42/18/99/972421899.db2.gz TVVHLHMMOOAKMJ-CYBMUJFWSA-N 2 0 234.347 1.436 20 0 BDADRP C[C@H](CN[C@H]1C[C@H]([NH3+])C12CCC2)[N@H+](C)C1CC1 ZINC000405238378 959422316 /nfs/dbraw/zinc/42/23/16/959422316.db2.gz VBHCKBJEIZUSPJ-WXHSDQCUSA-N 2 0 237.391 1.329 20 0 BDADRP Cc1cccnc1CC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405241443 959422387 /nfs/dbraw/zinc/42/23/87/959422387.db2.gz WJAJOWMXKRKGKU-KGLIPLIRSA-N 2 0 245.370 1.792 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](CO)C2)C12CCC2 ZINC000405352529 959444647 /nfs/dbraw/zinc/44/46/47/959444647.db2.gz PCEANYXAYULYKA-XQHKEYJVSA-N 2 0 238.375 1.397 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H](CO)C2CCCC2)C12CCC2 ZINC000405496698 959451254 /nfs/dbraw/zinc/45/12/54/959451254.db2.gz QBLJHPPPZDJIAJ-UPJWGTAASA-N 2 0 238.375 1.397 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CO[C@@H](C)[C@@H]2C)CC1 ZINC000405683028 959489662 /nfs/dbraw/zinc/48/96/62/959489662.db2.gz VGLOWSQEUVDODV-SGMGOOAPSA-N 2 0 240.391 1.872 20 0 BDADRP CC[C@@H]([NH3+])CN1CCC[C@@]12CCC[NH2+]CC2 ZINC001222309174 972437949 /nfs/dbraw/zinc/43/79/49/972437949.db2.gz MSWJNEPKUMLLJV-CHWSQXEVSA-N 2 0 225.380 1.332 20 0 BDADRP CC[NH2+]CCN1CCC[C@@]12CCC[NH2+]CC2 ZINC001222308714 972437991 /nfs/dbraw/zinc/43/79/91/972437991.db2.gz LUJSCWHHWMWFJP-CYBMUJFWSA-N 2 0 225.380 1.204 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CC1(C)C)C2 ZINC000308966542 959552452 /nfs/dbraw/zinc/55/24/52/959552452.db2.gz MRFDAAIASNKLII-WISYIIOYSA-N 2 0 208.349 2.000 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)N1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222347127 972441094 /nfs/dbraw/zinc/44/10/94/972441094.db2.gz WUTUORBRSBZPIF-ZIAGYGMSSA-N 2 0 237.391 1.204 20 0 BDADRP C(O[C@@H]1CCC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC001217775906 959587129 /nfs/dbraw/zinc/58/71/29/959587129.db2.gz CGYYQBYHIBCWDZ-VXGBXAGGSA-N 2 0 212.337 1.145 20 0 BDADRP CC1(C)[NH2+][C@@H](CO[C@H]2CC[NH2+]CC2(C)C)CO1 ZINC001217877864 959699323 /nfs/dbraw/zinc/69/93/23/959699323.db2.gz DFWFEOWTKSXTIX-QWRGUYRKSA-N 2 0 242.363 1.116 20 0 BDADRP C(CN1CCC[C@@]2(CCCC[NH2+]2)C1)C1C[NH2+]C1 ZINC001222385735 972450627 /nfs/dbraw/zinc/45/06/27/972450627.db2.gz VFMLHXAIQLVTBV-AWEZNQCLSA-N 3 0 237.391 1.204 20 0 BDADRP [NH3+]CCCCN1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385052 972451670 /nfs/dbraw/zinc/45/16/70/972451670.db2.gz DPJQJEMOGRFMSP-ZDUSSCGKSA-N 2 0 225.380 1.333 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1Oc1ccccc1C[NH3+] ZINC001218028288 959838414 /nfs/dbraw/zinc/83/84/14/959838414.db2.gz FBEBCSKZFZFHRM-YPMHNXCESA-N 2 0 234.343 1.912 20 0 BDADRP C[C@H]1CN(Cc2nc3ccccc3o2)C[C@H]1C[NH3+] ZINC000708837832 959862167 /nfs/dbraw/zinc/86/21/67/959862167.db2.gz SHJGXZQQRPLSLZ-WDEREUQCSA-N 2 0 245.326 1.854 20 0 BDADRP C[C@H]1C[N@H+](C[C@H](O)c2ccccc2)C[C@H]1C[NH3+] ZINC000708851955 959922829 /nfs/dbraw/zinc/92/28/29/959922829.db2.gz GMZYKURPMVGZOP-YUTCNCBUSA-N 2 0 234.343 1.247 20 0 BDADRP COCC1([NH2+]CC2CC[NH+](C)CC2)CCC1 ZINC000393918662 959932911 /nfs/dbraw/zinc/93/29/11/959932911.db2.gz OPDOMKOEQKHKFB-UHFFFAOYSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H]1CC[C@@H](Oc2cccc3c2C[NH2+]C3)C[NH2+]1 ZINC001218402823 960063869 /nfs/dbraw/zinc/06/38/69/960063869.db2.gz WJYAWNIBEDHEHH-ZYHUDNBSSA-N 2 0 232.327 1.809 20 0 BDADRP COC1(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCCC1 ZINC000692522761 960148697 /nfs/dbraw/zinc/14/86/97/960148697.db2.gz GLELRYYJLYZJMA-QWHCGFSZSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@H]([NH3+])c1ccc(-n2ccc(CC[NH3+])n2)cc1 ZINC001167730773 960266588 /nfs/dbraw/zinc/26/65/88/960266588.db2.gz RPXGCBGRDCDYDF-JTQLQIEISA-N 2 0 230.315 1.393 20 0 BDADRP Cc1nc(C)c(C[N@@H+]2CC[C@H](CC[NH3+])C2)s1 ZINC000692536126 960274054 /nfs/dbraw/zinc/27/40/54/960274054.db2.gz NNXIRXPGCDPOEB-NSHDSACASA-N 2 0 239.388 1.931 20 0 BDADRP C[C@H]([NH3+])c1cccc(C(=O)NCCCC[NH3+])c1 ZINC001221346441 960316198 /nfs/dbraw/zinc/31/61/98/960316198.db2.gz FLIXUAVVSDYJOI-JTQLQIEISA-N 2 0 235.331 1.175 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000695655921 960327253 /nfs/dbraw/zinc/32/72/53/960327253.db2.gz OLYCUYUBTZTVHL-CQSZACIVSA-N 3 0 239.407 1.533 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+](Cc1cc[nH]c1)CC2 ZINC001140707898 960523352 /nfs/dbraw/zinc/52/33/52/960523352.db2.gz HMPUHQHJJFACSL-UHFFFAOYSA-N 2 0 219.332 1.542 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCC2CCOCC2)CC[NH2+]1 ZINC000709374943 960536089 /nfs/dbraw/zinc/53/60/89/960536089.db2.gz LTAMWKBWWZZCOI-AAEUAGOBSA-N 2 0 226.364 1.533 20 0 BDADRP CCC[C@H](C)C[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222491425 972515810 /nfs/dbraw/zinc/51/58/10/972515810.db2.gz AQZAZPHGFGYHLQ-IHRRRGAJSA-N 2 0 239.407 1.448 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709486738 960619191 /nfs/dbraw/zinc/61/91/91/960619191.db2.gz GNDGUXYPGXAQHD-QNMSZWNNSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@H]1COCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709488519 960623439 /nfs/dbraw/zinc/62/34/39/960623439.db2.gz QPPJKAXTMXFTHC-GVWAJWJKSA-N 2 0 224.348 1.284 20 0 BDADRP Cc1cc(C[NH+]2CCC(F)(C[NH3+])CC2)ccn1 ZINC001222531988 960681343 /nfs/dbraw/zinc/68/13/43/960681343.db2.gz IFZIQDNILOBJQK-UHFFFAOYSA-N 2 0 237.322 1.653 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC[NH2+]1 ZINC000925701059 960691100 /nfs/dbraw/zinc/69/11/00/960691100.db2.gz UZTRVTUIQFFXNL-YVECIDJPSA-N 2 0 239.407 1.623 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](OC1CC[NH+](C)CC1)C2 ZINC001222499088 972526825 /nfs/dbraw/zinc/52/68/25/972526825.db2.gz XIQGQYGLWIFPSQ-DABQJJPHSA-N 2 0 238.375 1.722 20 0 BDADRP [NH2+]=CNc1ccc2c(C3C[NH2+]C3)ncn2c1 ZINC001167866003 961345983 /nfs/dbraw/zinc/34/59/83/961345983.db2.gz YGEWCOIMMVINDT-UHFFFAOYSA-N 2 0 215.260 1.040 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCc1ccns1 ZINC000709968023 961381165 /nfs/dbraw/zinc/38/11/65/961381165.db2.gz UNWIWBBUVBVDCO-ZJUUUORDSA-N 2 0 225.361 1.401 20 0 BDADRP [NH2+]=C(NCCCC[NH3+])Nc1ccc2[nH]ccc2n1 ZINC001167878713 961440095 /nfs/dbraw/zinc/44/00/95/961440095.db2.gz CISUUHGKEPVALP-UHFFFAOYSA-N 2 0 246.318 1.238 20 0 BDADRP Cc1ccc(NC(=[NH2+])NCCCC[NH3+])nc1 ZINC001167878770 961440423 /nfs/dbraw/zinc/44/04/23/961440423.db2.gz DEVVEOXHQNEOQV-UHFFFAOYSA-N 2 0 221.308 1.065 20 0 BDADRP [NH2+]=C(NCCCC[NH3+])Nc1cccc2ocnc21 ZINC001167879695 961455560 /nfs/dbraw/zinc/45/55/60/961455560.db2.gz YSJDFTZXQIANMB-UHFFFAOYSA-N 2 0 247.302 1.503 20 0 BDADRP CC[C@H](C(=O)N(C)CC[N@H+](C)C(C)C)[NH+](C)C ZINC001268240014 961468554 /nfs/dbraw/zinc/46/85/54/961468554.db2.gz GQTOBRMPVASHLE-GFCCVEGCSA-N 2 0 243.395 1.125 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167902717 961655610 /nfs/dbraw/zinc/65/56/10/961655610.db2.gz NVILNQRWPLHREM-MROQNXINSA-N 2 0 208.349 1.859 20 0 BDADRP [NH3+][C@H]1CCC[N@@H+]([C@H]2CCCC3(C2)OCCO3)C1 ZINC000712769365 962975000 /nfs/dbraw/zinc/97/50/00/962975000.db2.gz STYXGGIGLULXPZ-RYUDHWBXSA-N 2 0 240.347 1.095 20 0 BDADRP C[C@@H]1C[C@@H](CNc2cc3[nH]ccc3c[nH+]2)C[NH2+]1 ZINC001155095007 962976376 /nfs/dbraw/zinc/97/63/76/962976376.db2.gz HTQRMTAVCDBIEL-NXEZZACHSA-N 2 0 230.315 1.973 20 0 BDADRP CN(C)c1cc[nH+]c(N[C@@]23CCC[C@@H]2[NH2+]CC3)c1 ZINC001155402970 963065264 /nfs/dbraw/zinc/06/52/64/963065264.db2.gz HBRXDNUSODAYOB-GXTWGEPZSA-N 2 0 246.358 1.844 20 0 BDADRP c1cc2c(cc[nH+]c2N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)[nH]1 ZINC001155584253 963118562 /nfs/dbraw/zinc/11/85/62/963118562.db2.gz YQTGQRAMPVIVEY-CDMKHQONSA-N 2 0 242.326 1.973 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1[C@H]1CCCC2(C1)OCCO2 ZINC000712782803 963153389 /nfs/dbraw/zinc/15/33/89/963153389.db2.gz KEQMAPWURZTHQP-GRYCIOLGSA-N 2 0 240.347 1.094 20 0 BDADRP Cc1c[nH+]c(N(C)C2CC[NH2+]CC2)c(N)c1 ZINC001156175554 963274024 /nfs/dbraw/zinc/27/40/24/963274024.db2.gz JGNCXTYIDHVBNS-UHFFFAOYSA-N 2 0 220.320 1.160 20 0 BDADRP CC[NH+](CC)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156193821 963282584 /nfs/dbraw/zinc/28/25/84/963282584.db2.gz HBAINLFAQQCOJF-GFCCVEGCSA-N 2 0 243.395 1.175 20 0 BDADRP N=C(Nc1cnc(Cl)cc1N)SCC[NH3+] ZINC001157130973 963539664 /nfs/dbraw/zinc/53/96/64/963539664.db2.gz SRUSFXQQJOSNKO-UHFFFAOYSA-N 2 0 245.739 1.356 20 0 BDADRP CCC[N@H+](C)CC(=O)Nc1ccc2c[nH+]cn2c1 ZINC001157396915 963597986 /nfs/dbraw/zinc/59/79/86/963597986.db2.gz RFZRYYAYRPJPGX-UHFFFAOYSA-N 2 0 246.314 1.615 20 0 BDADRP COC(C)(C)C[N@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000697036386 963664662 /nfs/dbraw/zinc/66/46/62/963664662.db2.gz KWFXCBNFFZTYNK-GFCCVEGCSA-N 2 0 228.380 1.733 20 0 BDADRP Cc1c[nH+]c(N2CCC[C@@H]([NH3+])[C@@H]2C)cc1N ZINC001157742932 963712850 /nfs/dbraw/zinc/71/28/50/963712850.db2.gz GIRYPBOAYLHLOP-VHSXEESVSA-N 2 0 220.320 1.288 20 0 BDADRP C[C@H]1[C@H]([NH3+])CCCN1c1cc(C[NH+](C)C)ccn1 ZINC001157746816 963715543 /nfs/dbraw/zinc/71/55/43/963715543.db2.gz NWDJMIGVZOGOCS-WCQYABFASA-N 2 0 248.374 1.459 20 0 BDADRP C[C@@H]1C[C@H]([N@H+](C)CCC[NH+](C)C)CCO1 ZINC001168107870 963741093 /nfs/dbraw/zinc/74/10/93/963741093.db2.gz YWMBPLQWIAQGAE-VXGBXAGGSA-N 2 0 214.353 1.437 20 0 BDADRP CC[N@H+](C)C1CC[NH+]([C@@H]2CCO[C@H](C)C2)CC1 ZINC001168141805 963847983 /nfs/dbraw/zinc/84/79/83/963847983.db2.gz JZUVISBUAOHDIO-TZMCWYRMSA-N 2 0 240.391 1.970 20 0 BDADRP Nc1cc(NC2=C[C@H]3CC[C@@H](C2)[NH2+]3)cc[nH+]1 ZINC001159113223 964002286 /nfs/dbraw/zinc/00/22/86/964002286.db2.gz FIJTUPOPKPXJBD-BDAKNGLRSA-N 2 0 216.288 1.484 20 0 BDADRP Cc1c[nH+]c(NCC2C[NH+](C)C2)cc1C ZINC001159222443 964024592 /nfs/dbraw/zinc/02/45/92/964024592.db2.gz MNYSCNKYNLWLPU-UHFFFAOYSA-N 2 0 205.305 1.672 20 0 BDADRP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H](C)C[NH3+])C2 ZINC001168245441 964056275 /nfs/dbraw/zinc/05/62/75/964056275.db2.gz YXCUKFQFWTYAMT-GWCFXTLKSA-N 2 0 234.343 1.347 20 0 BDADRP C(=Nc1cc([C@@H]2CCC[NH2+]2)no1)C1CC[NH2+]CC1 ZINC001159304778 964060343 /nfs/dbraw/zinc/06/03/43/964060343.db2.gz BZOCAOPMWQAIAG-NSHDSACASA-N 2 0 248.330 1.778 20 0 BDADRP c1c(N=C2CCC[NH2+]C2)onc1[C@H]1CCC[NH2+]1 ZINC001159304796 964060401 /nfs/dbraw/zinc/06/04/01/964060401.db2.gz CPRLLAHPPBMLSO-SNVBAGLBSA-N 2 0 234.303 1.388 20 0 BDADRP [NH3+]CCc1cccc(NC2=C[NH2+]CCC2)c1 ZINC001159671847 964144944 /nfs/dbraw/zinc/14/49/44/964144944.db2.gz JUWRKPJUDLKHDQ-UHFFFAOYSA-N 2 0 217.316 1.825 20 0 BDADRP [NH3+]CCOc1ccc(NC2=CCC[NH2+]C2)cc1 ZINC001159687096 964155307 /nfs/dbraw/zinc/15/53/07/964155307.db2.gz WIPMPVJBESRSEV-UHFFFAOYSA-N 2 0 233.315 1.313 20 0 BDADRP C[C@@H]([NH3+])CCNc1[nH+]ccc2[nH]ccc21 ZINC001159774684 964190510 /nfs/dbraw/zinc/19/05/10/964190510.db2.gz KOPFNPPUGUMFEU-MRVPVSSYSA-N 2 0 204.277 1.712 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1cc2ccccc2cn1 ZINC001159778939 964191457 /nfs/dbraw/zinc/19/14/57/964191457.db2.gz BXYMOAPRMTUXSG-LBPRGKRZSA-N 2 0 230.315 1.670 20 0 BDADRP Cc1cccc2ncnc(N[C@@H]([NH3+])CCC[NH3+])c12 ZINC001159785315 964195617 /nfs/dbraw/zinc/19/56/17/964195617.db2.gz OUEGPXIMGUSTFM-LLVKDONJSA-N 2 0 245.330 1.374 20 0 BDADRP Cc1cc(Cl)c(C)c(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001159783528 964195841 /nfs/dbraw/zinc/19/58/41/964195841.db2.gz DIRVBZMAMNDCHC-SNVBAGLBSA-N 2 0 242.754 1.787 20 0 BDADRP CSc1ccnc(N[C@H]([NH3+])CCC[NH3+])c1 ZINC001159786459 964202412 /nfs/dbraw/zinc/20/24/12/964202412.db2.gz BAHLLZUOLZLCCN-VIFPVBQESA-N 2 0 226.349 1.239 20 0 BDADRP Cc1cc2ns[nH]c-2cc1=NC1=CC[NH2+]C1 ZINC001159933224 964229177 /nfs/dbraw/zinc/22/91/77/964229177.db2.gz QUFMOMSXOXNFJA-UHFFFAOYSA-N 2 0 232.312 1.899 20 0 BDADRP CC(C)([NH3+])CNc1cc(N2CCCC2)cc[nH+]1 ZINC001160032399 964240290 /nfs/dbraw/zinc/24/02/90/964240290.db2.gz REIOJJGRDOJDJD-UHFFFAOYSA-N 2 0 234.347 1.831 20 0 BDADRP CN(C)c1cc[nH+]c(NC[C@@H]2CCCC[NH2+]2)c1 ZINC001160146898 964259861 /nfs/dbraw/zinc/25/98/61/964259861.db2.gz GCMLLWUWXWZCKK-NSHDSACASA-N 2 0 234.347 1.702 20 0 BDADRP CCCCC[C@H]([NH2+]C)C(=O)N1CCC([NH3+])CC1 ZINC001160515856 964317835 /nfs/dbraw/zinc/31/78/35/964317835.db2.gz XWQLLFRDOLXTSG-LBPRGKRZSA-N 2 0 241.379 1.104 20 0 BDADRP C[NH+](C)C1CCC([NH2+]CC2CC(=O)C2)CC1 ZINC001168298206 964394215 /nfs/dbraw/zinc/39/42/15/964394215.db2.gz FJCXJCGIAQNQFU-UHFFFAOYSA-N 2 0 224.348 1.428 20 0 BDADRP CCCOC1C[NH+](C2CCC([NH+](C)C)CC2)C1 ZINC001168323676 964451268 /nfs/dbraw/zinc/45/12/68/964451268.db2.gz AFZHNEHPRNABLP-UHFFFAOYSA-N 2 0 240.391 1.970 20 0 BDADRP C[NH+](C)C1CCC([N@H+]2C[C@H]3C[C@@H](C2)O3)CC1 ZINC001168327620 964460832 /nfs/dbraw/zinc/46/08/32/964460832.db2.gz PPJHLKCIJAYGTM-BPNZPQAUSA-N 2 0 224.348 1.332 20 0 BDADRP CC[N@H+](C1COC1)C1CCC([NH+](C)C)CC1 ZINC001168328188 964461583 /nfs/dbraw/zinc/46/15/83/964461583.db2.gz YYWPHQFQFMQXOR-UHFFFAOYSA-N 2 0 226.364 1.580 20 0 BDADRP [NH3+]C/C=C/CNc1ccc(C[NH+]2CCCC2)cn1 ZINC001160983036 964470703 /nfs/dbraw/zinc/47/07/03/964470703.db2.gz VQNLUIHBEACYES-OWOJBTEDSA-N 2 0 246.358 1.604 20 0 BDADRP [NH3+]Cc1nccn1C1CC[NH+](CC2CC2)CC1 ZINC001168351084 964490077 /nfs/dbraw/zinc/49/00/77/964490077.db2.gz BVUVEMGHAATQIK-UHFFFAOYSA-N 2 0 234.347 1.389 20 0 BDADRP CC(C)(CCO)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168357024 964515068 /nfs/dbraw/zinc/51/50/68/964515068.db2.gz YOPXUCKJAGPDQC-UHFFFAOYSA-N 2 0 240.391 1.611 20 0 BDADRP CCC[C@@H](CO)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168358287 964530637 /nfs/dbraw/zinc/53/06/37/964530637.db2.gz PPPNZSNVGNQQNL-AWEZNQCLSA-N 2 0 240.391 1.611 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000697810170 964536670 /nfs/dbraw/zinc/53/66/70/964536670.db2.gz ORTUCTJZMSSZIR-RVMXOQNASA-N 2 0 208.349 1.703 20 0 BDADRP C[NH+](C)CCNc1cccc(N2CC[NH2+]CC2)c1 ZINC001161671764 964676643 /nfs/dbraw/zinc/67/66/43/964676643.db2.gz YOUCNWCZQLJKAZ-UHFFFAOYSA-N 2 0 248.374 1.070 20 0 BDADRP Nc1cc[nH+]c(N(CC[NH3+])c2ccc(F)cc2)c1 ZINC001161879258 964804654 /nfs/dbraw/zinc/80/46/54/964804654.db2.gz RDQOPSGTOCPQIF-UHFFFAOYSA-N 2 0 246.289 1.900 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]CC2CSC2)CC1 ZINC000698001915 964858545 /nfs/dbraw/zinc/85/85/45/964858545.db2.gz AXQXZCHTBJEBJY-UHFFFAOYSA-N 2 0 228.405 1.812 20 0 BDADRP C[C@]1(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)CCC[NH2+]C1 ZINC000690286881 964859528 /nfs/dbraw/zinc/85/95/28/964859528.db2.gz VWCULKRZMZBWCQ-RDBSUJKOSA-N 2 0 238.375 1.487 20 0 BDADRP CCc1cc(-n2cnc(C[NH3+])c2)cc[nH+]1 ZINC001162304707 964911094 /nfs/dbraw/zinc/91/10/94/964911094.db2.gz QWYSGJWNIPOMGU-UHFFFAOYSA-N 2 0 202.261 1.288 20 0 BDADRP C[NH+](C)Cc1ccnc(N[C@H]2C[C@@](C)([NH3+])C2)c1 ZINC001162331915 964935212 /nfs/dbraw/zinc/93/52/12/964935212.db2.gz WHPNZDRHXVTCSD-BJHJDKERSA-N 2 0 234.347 1.435 20 0 BDADRP OC[C@H]1CCC[N@@H+]1C1CC[NH+](CC2CC2)CC1 ZINC001168373769 964981047 /nfs/dbraw/zinc/98/10/47/964981047.db2.gz UHJDQTNNZWWNOZ-CQSZACIVSA-N 2 0 238.375 1.318 20 0 BDADRP C[C@@H]1C[C@@H](CNc2c[nH+]cc3cc[nH]c32)C[NH2+]1 ZINC001162556838 965049094 /nfs/dbraw/zinc/04/90/94/965049094.db2.gz XQOOWNFLHNXIDM-NXEZZACHSA-N 2 0 230.315 1.973 20 0 BDADRP C[C@@H]([NH3+])c1nc2ccccc2n1-c1c[nH+]cn1C ZINC001162765479 965162045 /nfs/dbraw/zinc/16/20/45/965162045.db2.gz HKCCKHNXFQXNDH-SECBINFHSA-N 2 0 241.298 1.779 20 0 BDADRP Cc1c[nH+]c(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)c(C)c1 ZINC001162794476 965183496 /nfs/dbraw/zinc/18/34/96/965183496.db2.gz PLCHUGKUAKLNNX-RWMBFGLXSA-N 2 0 229.327 1.884 20 0 BDADRP Cc1c[nH+]c(NC[C@@H]2CC[NH2+]C[C@@H]2F)c(N)c1 ZINC001162805158 965186783 /nfs/dbraw/zinc/18/67/83/965186783.db2.gz LUFRWJHCVZPWPW-UWVGGRQHSA-N 2 0 238.310 1.332 20 0 BDADRP Cc1c[nH+]c(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)c(N)c1 ZINC001162797894 965189312 /nfs/dbraw/zinc/18/93/12/965189312.db2.gz PRIVPHBUJBBTFF-JBLDHEPKSA-N 2 0 230.315 1.158 20 0 BDADRP Cc1c[nH+]c(NC[C@@H]2CC[NH2+]C[C@@H]2F)cc1N ZINC001162808085 965192691 /nfs/dbraw/zinc/19/26/91/965192691.db2.gz DUGKRYNNPBHPRZ-UWVGGRQHSA-N 2 0 238.310 1.332 20 0 BDADRP C/C=C(\NC=[NH2+])N1C[C@@H]([NH3+])Cc2ccccc21 ZINC001162841980 965194687 /nfs/dbraw/zinc/19/46/87/965194687.db2.gz VNULSJGMGQTHNS-SFVNUVMBSA-N 2 0 230.315 1.434 20 0 BDADRP c1cc(NC[C@@]23C[NH2+][C@@H](CO2)C3)cc(C2CC2)[nH+]1 ZINC001163202912 965299430 /nfs/dbraw/zinc/29/94/30/965299430.db2.gz BPSIUNSYBLUABB-OCCSQVGLSA-N 2 0 245.326 1.502 20 0 BDADRP C[C@@H](C[NH+](C)C)Nc1[nH+]ccc2c1CCN2 ZINC001163772196 965578945 /nfs/dbraw/zinc/57/89/45/965578945.db2.gz KHTOUOYPUAQDPY-VIFPVBQESA-N 2 0 220.320 1.412 20 0 BDADRP C1C[NH2+][C@@H]2CC[N@@H+]([C@@H]3CCCOC3)C[C@@H]2C1 ZINC000715066410 965664941 /nfs/dbraw/zinc/66/49/41/965664941.db2.gz ZWNHSJGBPPTCPW-YNEHKIRRSA-N 2 0 224.348 1.239 20 0 BDADRP C[C@H]1CC[C@@H](C[NH3+])N(c2cc(N)cc[nH+]2)C1 ZINC001164063301 965722978 /nfs/dbraw/zinc/72/29/78/965722978.db2.gz RJXPLFMVDJJYSF-ONGXEEELSA-N 2 0 220.320 1.227 20 0 BDADRP CC(C)N(CCC[NH3+])c1ccc[n+](C)c1 ZINC001164128946 965749842 /nfs/dbraw/zinc/74/98/42/965749842.db2.gz QCSQCCUIWCOPTM-UHFFFAOYSA-N 2 0 208.329 1.075 20 0 BDADRP CC[C@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000699212062 965817146 /nfs/dbraw/zinc/81/71/46/965817146.db2.gz SDPQHICUXNMZRB-GSPSYOTPSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@H]1OCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1C ZINC000699206700 965817194 /nfs/dbraw/zinc/81/71/94/965817194.db2.gz XVDYMVLXNFYDSS-DUJLVANISA-N 2 0 238.375 1.626 20 0 BDADRP [NH3+][C@H]1CCN(c2ccc([C@@H]3CCC[NH2+]C3)cc2)C1 ZINC001164289221 965832671 /nfs/dbraw/zinc/83/26/71/965832671.db2.gz WCRWMNWXGOVPMA-KGLIPLIRSA-N 2 0 245.370 1.691 20 0 BDADRP Cc1ccncc1C[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000400386055 965950200 /nfs/dbraw/zinc/95/02/00/965950200.db2.gz YFOKDLKDFHLMEC-LBPRGKRZSA-N 2 0 233.359 1.868 20 0 BDADRP CN(C)c1cc[nH+]c(N2CCC[C@H]2C[NH+](C)C)c1 ZINC001165072965 965955253 /nfs/dbraw/zinc/95/52/53/965955253.db2.gz QJTXCUGANMYACM-ZDUSSCGKSA-N 2 0 248.374 1.678 20 0 BDADRP CC[C@@H]1COC[C@@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000699543810 965961449 /nfs/dbraw/zinc/96/14/49/965961449.db2.gz PCZAMBFSPJZTOE-OLZOCXBDSA-N 2 0 240.391 1.733 20 0 BDADRP C[NH+](C)C[C@]12C[C@H]1CN(c1cc(N)cc[nH+]1)C2 ZINC001165182113 965975816 /nfs/dbraw/zinc/97/58/16/965975816.db2.gz SQKHCCAKFJBNPF-GWCFXTLKSA-N 2 0 232.331 1.052 20 0 BDADRP CN(C)c1cc[nH+]c(N2CC[C@@H]3[NH2+]CC[C@H]32)c1 ZINC001165299132 966040800 /nfs/dbraw/zinc/04/08/00/966040800.db2.gz ANBVMJICFYFNHN-NWDGAFQWSA-N 2 0 232.331 1.088 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccc3ncoc3c2)C[C@H]1C[NH3+] ZINC001205145937 966045578 /nfs/dbraw/zinc/04/55/78/966045578.db2.gz MHTCKKGNXYLITJ-CMPLNLGQSA-N 2 0 245.326 1.854 20 0 BDADRP Cc1ccc(N2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)[nH+]c1C ZINC001165382631 966071637 /nfs/dbraw/zinc/07/16/37/966071637.db2.gz BIXFHIIVNSWUGH-PEGIJTEDSA-N 2 0 203.289 1.092 20 0 BDADRP Cc1cc2[nH]ccc2c(N2CCC[C@@H]3[NH2+]C[C@@H]32)[nH+]1 ZINC001165390224 966086355 /nfs/dbraw/zinc/08/63/55/966086355.db2.gz DDZRSYLHYIGKGJ-AAEUAGOBSA-N 2 0 242.326 1.812 20 0 BDADRP CCN(CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC001236003770 966225273 /nfs/dbraw/zinc/22/52/73/966225273.db2.gz AKQGAKXCUWADOP-UONOGXRCSA-N 2 0 239.407 1.450 20 0 BDADRP C([C@@H]1CCCCO1)[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236313954 966361916 /nfs/dbraw/zinc/36/19/16/966361916.db2.gz BKLWQIRDQIIIJL-MJBXVCDLSA-N 2 0 238.375 1.487 20 0 BDADRP CC1(C[NH3+])CN(Cc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001206718655 966421749 /nfs/dbraw/zinc/42/17/49/966421749.db2.gz XSXOWKZLJYPARL-UHFFFAOYSA-N 2 0 245.370 1.113 20 0 BDADRP Cc1c[nH+]c(N2CC[C@H]([NH3+])C(F)(F)C2)cc1N ZINC001166959328 966484781 /nfs/dbraw/zinc/48/47/81/966484781.db2.gz WJZFHVGZHNAKGV-VIFPVBQESA-N 2 0 242.273 1.145 20 0 BDADRP Cc1[nH+]c(N(C)C2C[NH2+]C2)cc2[nH]ccc21 ZINC001166977963 966501561 /nfs/dbraw/zinc/50/15/61/966501561.db2.gz GHIVTZWZFBNONK-UHFFFAOYSA-N 2 0 216.288 1.279 20 0 BDADRP Cc1[nH]c2ncccc2c1CN(C)C[C@H](C)[NH3+] ZINC001236885814 966613360 /nfs/dbraw/zinc/61/33/60/966613360.db2.gz SWBMMGXOIYIFCR-VIFPVBQESA-N 2 0 232.331 1.650 20 0 BDADRP [NH3+]C[C@@H]1Cc2ccccc2CN1C[C@H]1CCC[NH2+]1 ZINC001237019020 966625911 /nfs/dbraw/zinc/62/59/11/966625911.db2.gz AAKUPKKOGNCFRG-CABCVRRESA-N 2 0 245.370 1.124 20 0 BDADRP COCC1(C[NH2+]CC2CC[NH+](C)CC2)CC1 ZINC000691867771 966655374 /nfs/dbraw/zinc/65/53/74/966655374.db2.gz TZRMAPBKXHBURB-UHFFFAOYSA-N 2 0 226.364 1.344 20 0 BDADRP C[NH2+][C@@]12CC[C@@]([NH2+]CC3(C)COC3)(C1)CCC2 ZINC001276416024 966736173 /nfs/dbraw/zinc/73/61/73/966736173.db2.gz ZKZJALYSEAFLDR-UONOGXRCSA-N 2 0 238.375 1.677 20 0 BDADRP CC/C=C\CC[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205211808 966852364 /nfs/dbraw/zinc/85/23/64/966852364.db2.gz WCBKRRJNCSFFHP-DHCBQETCSA-N 2 0 226.364 1.518 20 0 BDADRP CCC1(Nc2ccc3c(c2)C[NH2+]C3)C[NH2+]C1 ZINC001168583993 966932670 /nfs/dbraw/zinc/93/26/70/966932670.db2.gz WBRDYOCKFQLCJL-UHFFFAOYSA-N 2 0 217.316 1.454 20 0 BDADRP C[C@H](CN(C)C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715507218 966940613 /nfs/dbraw/zinc/94/06/13/966940613.db2.gz FWPMTDUOGVJXPZ-PNESKVBLSA-N 2 0 227.396 1.399 20 0 BDADRP c1cncc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC001239569757 967008536 /nfs/dbraw/zinc/00/85/36/967008536.db2.gz PLCNOEIINYDNBV-UHFFFAOYSA-N 2 0 240.310 1.553 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204727877 967140299 /nfs/dbraw/zinc/14/02/99/967140299.db2.gz TXLPJMLEVUHAQW-UHFFFAOYSA-N 3 0 225.380 1.191 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204727743 967141209 /nfs/dbraw/zinc/14/12/09/967141209.db2.gz MTABZDFBHIKNKC-UHFFFAOYSA-N 3 0 225.380 1.062 20 0 BDADRP C[C@@H](C[NH+]1CCC(C[NH3+])CC1)C(F)(F)F ZINC001205026153 967142906 /nfs/dbraw/zinc/14/29/06/967142906.db2.gz LGTRQLMJQIEVRV-QMMMGPOBSA-N 2 0 224.270 1.856 20 0 BDADRP [NH3+]CC1CCN(C[C@H]([NH3+])Cc2ccccc2)CC1 ZINC001205026755 967151324 /nfs/dbraw/zinc/15/13/24/967151324.db2.gz XZLBESDEIHFNJZ-OAHLLOKOSA-N 2 0 247.386 1.227 20 0 BDADRP CC[NH+]1CCC(C[N@H+](C)CC[C@H](C)O)CC1 ZINC001204768849 967161891 /nfs/dbraw/zinc/16/18/91/967161891.db2.gz NGUHEDVISCWHFR-LBPRGKRZSA-N 2 0 228.380 1.421 20 0 BDADRP C[C@@]1([NH3+])CCN(Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC001204801909 967179067 /nfs/dbraw/zinc/17/90/67/967179067.db2.gz WOTASRZOVMVMMM-CQSZACIVSA-N 2 0 231.343 1.213 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@H](N[C@H]2CCC[NH2+]C2)C1 ZINC000715575086 967187559 /nfs/dbraw/zinc/18/75/59/967187559.db2.gz WLZIGENYWKVMKZ-RWMBFGLXSA-N 2 0 225.380 1.201 20 0 BDADRP CCN(CC)CC[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715582250 967192843 /nfs/dbraw/zinc/19/28/43/967192843.db2.gz YFWCIJPJXNHKFU-UHFFFAOYSA-N 2 0 241.423 1.791 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715581370 967195032 /nfs/dbraw/zinc/19/50/32/967195032.db2.gz RQRJVFGABCAXHU-UNXYVOJBSA-N 3 0 213.369 1.044 20 0 BDADRP [NH3+][C@H]1CCCN(Cc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001204877649 967209655 /nfs/dbraw/zinc/20/96/55/967209655.db2.gz LXGBIWSTNSCREF-HNNXBMFYSA-N 2 0 245.370 1.255 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCCCC[C@H]2CO)CC1 ZINC000691349741 967257890 /nfs/dbraw/zinc/25/78/90/967257890.db2.gz KDEXQUINGBDGPO-AWEZNQCLSA-N 2 0 240.391 1.565 20 0 BDADRP C[NH2+]C[C@H]1CCCN(C[C@@H]([NH3+])c2ccccc2)C1 ZINC001205000746 967283661 /nfs/dbraw/zinc/28/36/61/967283661.db2.gz JKCKQKWRRWJCDQ-UKRRQHHQSA-N 2 0 247.386 1.618 20 0 BDADRP COc1ncc(C[NH+]2CCC(C[NH3+])CC2)cc1C ZINC001205033717 967298456 /nfs/dbraw/zinc/29/84/56/967298456.db2.gz MQZADJFDLKRWPZ-UHFFFAOYSA-N 2 0 249.358 1.569 20 0 BDADRP CCC(=O)C(C)(C)C[NH+]1CCC(C[NH3+])CC1 ZINC001205025830 967299221 /nfs/dbraw/zinc/29/92/21/967299221.db2.gz HPEGTSTWGYLHAH-UHFFFAOYSA-N 2 0 226.364 1.662 20 0 BDADRP Nc1c(F)cccc1C[NH+]1CCC(C[NH3+])CC1 ZINC001205053556 967308087 /nfs/dbraw/zinc/30/80/87/967308087.db2.gz PAVUCLFMCBTNCA-UHFFFAOYSA-N 2 0 237.322 1.579 20 0 BDADRP [NH3+][C@@H]1CCC[N@H+](CC2OC=CC2=S)CC1 ZINC001205124280 967371689 /nfs/dbraw/zinc/37/16/89/967371689.db2.gz NHOIDMVTRILRMU-SECBINFHSA-N 2 0 226.345 1.882 20 0 BDADRP CS[C@H](C)CC[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205131442 967374159 /nfs/dbraw/zinc/37/41/59/967374159.db2.gz ZZQNRIAJVDDPQT-HBNTYKKESA-N 2 0 216.394 1.655 20 0 BDADRP Cc1c[nH]c(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1C ZINC001205141206 967388978 /nfs/dbraw/zinc/38/89/78/967388978.db2.gz YKRPDZFODAMQCN-CMPLNLGQSA-N 2 0 221.348 1.658 20 0 BDADRP C[C@H]1C[N@H+](Cc2cc3cc[nH]c3cn2)C[C@H]1C[NH3+] ZINC001205145694 967390691 /nfs/dbraw/zinc/39/06/91/967390691.db2.gz AXRDTEKPDUVNNC-CMPLNLGQSA-N 2 0 244.342 1.590 20 0 BDADRP Cc1cc(CN2C[C@H](C)[C@H](C[NH3+])C2)ns1 ZINC001205155804 967395022 /nfs/dbraw/zinc/39/50/22/967395022.db2.gz FPRQKUAZLFLSOB-WCBMZHEXSA-N 2 0 225.361 1.478 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccn3nccc3c2)C[C@H]1C[NH3+] ZINC001205151155 967395196 /nfs/dbraw/zinc/39/51/96/967395196.db2.gz QMOHNEYODQTOHW-WCQYABFASA-N 2 0 244.342 1.361 20 0 BDADRP C[C@H]1C[N@H+](Cc2cccc(F)c2N)C[C@H]1C[NH3+] ZINC001205151320 967397789 /nfs/dbraw/zinc/39/77/89/967397789.db2.gz RWAZLITVEIVJOR-GXSJLCMTSA-N 2 0 237.322 1.435 20 0 BDADRP CC[C@H](CCC(=O)OC)C[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001205170927 967404586 /nfs/dbraw/zinc/40/45/86/967404586.db2.gz GPFOXJPVLDDOPN-IJLUTSLNSA-N 2 0 242.363 1.387 20 0 BDADRP CC(C)(C)CC[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205209719 967430205 /nfs/dbraw/zinc/43/02/05/967430205.db2.gz KWAWSKKYXQEDMR-ZDUSSCGKSA-N 2 0 228.380 1.598 20 0 BDADRP Cc1ncccc1C[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205221694 967431137 /nfs/dbraw/zinc/43/11/37/967431137.db2.gz WJSCNDGRNZCFEX-CQSZACIVSA-N 2 0 249.358 1.066 20 0 BDADRP Cc1ccnc(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)c1 ZINC001205210332 967431345 /nfs/dbraw/zinc/43/13/45/967431345.db2.gz NTHDDZJUJYKZGX-AWEZNQCLSA-N 2 0 249.358 1.066 20 0 BDADRP C[C@@]1([NH3+])CCC[N@H+](C[C@@H]2CCCOC2)CC1 ZINC001205258004 967449585 /nfs/dbraw/zinc/44/95/85/967449585.db2.gz ZUPDHHQHXZKZEJ-QWHCGFSZSA-N 2 0 226.364 1.616 20 0 BDADRP C[C@@]1([NH3+])CCC[N@H+](Cc2ccoc2)CC1 ZINC001205265141 967455217 /nfs/dbraw/zinc/45/52/17/967455217.db2.gz NMTIVEQTOOMOFY-GFCCVEGCSA-N 2 0 208.305 1.983 20 0 BDADRP Cc1noc(C)c1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205264263 967455279 /nfs/dbraw/zinc/45/52/79/967455279.db2.gz IPAPLZPUJYTZRF-CYBMUJFWSA-N 2 0 237.347 1.995 20 0 BDADRP Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205263877 967456192 /nfs/dbraw/zinc/45/61/92/967456192.db2.gz DPYUDLQSQGYRSE-ZDUSSCGKSA-N 2 0 236.363 1.730 20 0 BDADRP Cc1nc[nH]c1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205265258 967456393 /nfs/dbraw/zinc/45/63/93/967456393.db2.gz PDQFGJHHOIRMHF-GFCCVEGCSA-N 2 0 222.336 1.421 20 0 BDADRP Cn1cc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)cn1 ZINC001205266958 967456609 /nfs/dbraw/zinc/45/66/09/967456609.db2.gz YVZPBPJYROXUAG-LBPRGKRZSA-N 2 0 222.336 1.123 20 0 BDADRP Cc1nc(N)ccc1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205280578 967472851 /nfs/dbraw/zinc/47/28/51/967472851.db2.gz CTTYOJWYFFNOIY-CQSZACIVSA-N 2 0 248.374 1.676 20 0 BDADRP CCc1n[nH]cc1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205288623 967482057 /nfs/dbraw/zinc/48/20/57/967482057.db2.gz MHLUFVWFGOTMAB-CYBMUJFWSA-N 2 0 236.363 1.675 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@@H]1Cc2cccc(Cl)c2C1 ZINC001168704800 967548167 /nfs/dbraw/zinc/54/81/67/967548167.db2.gz PFHIPXGATBNXCN-GXSJLCMTSA-N 2 0 238.762 1.992 20 0 BDADRP [NH3+]C[C@@]1(F)CCC[N@H+](CC2CCOCC2)CC1 ZINC001205536928 967668163 /nfs/dbraw/zinc/66/81/63/967668163.db2.gz CIVAFWJGCJYIIB-CYBMUJFWSA-N 2 0 244.354 1.566 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205546240 967691261 /nfs/dbraw/zinc/69/12/61/967691261.db2.gz SPVNFKGNFYXOFD-ZDUSSCGKSA-N 3 0 245.386 1.658 20 0 BDADRP [NH3+]Cc1cccc(NC(=O)C23CC[NH+](CC2)C3)c1 ZINC000715840863 967697413 /nfs/dbraw/zinc/69/74/13/967697413.db2.gz DBMRCAVBVAWYCY-UHFFFAOYSA-N 2 0 245.326 1.180 20 0 BDADRP Cc1ncc(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)o1 ZINC001205582104 967704451 /nfs/dbraw/zinc/70/44/51/967704451.db2.gz WSWHVFJCGNXEDO-LBPRGKRZSA-N 2 0 241.310 1.636 20 0 BDADRP C[C@H]1CC[N@H+](CCCCO)CC[C@H]1C[NH3+] ZINC001205601966 967720737 /nfs/dbraw/zinc/72/07/37/967720737.db2.gz HGOQDRSBZZEYRX-RYUDHWBXSA-N 2 0 214.353 1.066 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2ncccn2)CC[C@@H]1C[NH3+] ZINC001205617833 967725787 /nfs/dbraw/zinc/72/57/87/967725787.db2.gz OJDFGVSJBCWYDC-VXGBXAGGSA-N 2 0 234.347 1.283 20 0 BDADRP C[C@H]1CC[N@H+](Cc2ccc(=O)[nH]c2)CC[C@H]1C[NH3+] ZINC001205618704 967731071 /nfs/dbraw/zinc/73/10/71/967731071.db2.gz YHRLUDDCNXQTKF-AAEUAGOBSA-N 2 0 249.358 1.594 20 0 BDADRP C[C@@H]1CCN(Cc2csnn2)CC[C@@H]1C[NH3+] ZINC001205627117 967732977 /nfs/dbraw/zinc/73/29/77/967732977.db2.gz MWISUDPDQWKZMG-NXEZZACHSA-N 2 0 240.376 1.345 20 0 BDADRP C[C@H]1CC[N@H+](Cc2ccnnc2)CC[C@@H]1C[NH3+] ZINC001205627095 967737165 /nfs/dbraw/zinc/73/71/65/967737165.db2.gz MNHRECAKUNMDJC-WCQYABFASA-N 2 0 234.347 1.283 20 0 BDADRP [NH3+]Cc1ccnc(N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC001162385571 967821420 /nfs/dbraw/zinc/82/14/20/967821420.db2.gz PSYGIMCYFPPFPS-QWRGUYRKSA-N 2 0 220.320 1.222 20 0 BDADRP COC1CC(C[NH+]2CCC(C[NH3+])CC2)C1 ZINC000703840761 967877532 /nfs/dbraw/zinc/87/75/32/967877532.db2.gz CKWBXMLBMGKWHY-UHFFFAOYSA-N 2 0 212.337 1.082 20 0 BDADRP N[C@H]1CCCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC001205923965 967889783 /nfs/dbraw/zinc/88/97/83/967889783.db2.gz RJOGAUHKFOGHCG-ZDUSSCGKSA-N 2 0 225.380 1.189 20 0 BDADRP [NH3+]Cc1ccc(CN2CCCC[C@@H]([NH3+])C2)cc1 ZINC001205932022 967891000 /nfs/dbraw/zinc/89/10/00/967891000.db2.gz NJLJHNSLCUNNLY-CQSZACIVSA-N 2 0 233.359 1.459 20 0 BDADRP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)[nH]n1 ZINC001205982523 967928172 /nfs/dbraw/zinc/92/81/72/967928172.db2.gz MGJUNUAGTKMMLO-PWSUYJOCSA-N 2 0 236.363 1.525 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccon2)CCC[C@H]1C[NH3+] ZINC001205996560 967949458 /nfs/dbraw/zinc/94/94/58/967949458.db2.gz XGPOYRVXVRELQI-MNOVXSKESA-N 2 0 223.320 1.481 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccncc2[O-])CCC[C@@H]1C[NH3+] ZINC001206003913 967958229 /nfs/dbraw/zinc/95/82/29/967958229.db2.gz NNPIFLZQVSAZDB-VXGBXAGGSA-N 2 0 249.358 1.594 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccncc2[O-])CCC[C@H]1C[NH3+] ZINC001206003912 967961072 /nfs/dbraw/zinc/96/10/72/967961072.db2.gz NNPIFLZQVSAZDB-RYUDHWBXSA-N 2 0 249.358 1.594 20 0 BDADRP CS[C@H](C)CCN1C[C@@H](C)[C@H]([NH3+])C1 ZINC001206053035 968017847 /nfs/dbraw/zinc/01/78/47/968017847.db2.gz GHYFUYJCRORRQJ-OPRDCNLKSA-N 2 0 202.367 1.407 20 0 BDADRP [NH3+][C@@H]1CN(Cc2cccc3[nH]ccc32)CC[C@H]1O ZINC001206086362 968052759 /nfs/dbraw/zinc/05/27/59/968052759.db2.gz GCVDKJQCFUJUKM-TZMCWYRMSA-N 2 0 245.326 1.062 20 0 BDADRP C[C@@H](C[NH+](C)C)Nc1ccc(C2([NH3+])CC2)cc1 ZINC001163777011 968118446 /nfs/dbraw/zinc/11/84/46/968118446.db2.gz QWERJKKGEHPTEH-NSHDSACASA-N 2 0 233.359 1.996 20 0 BDADRP CC[N@@H+]1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC001206302986 968210443 /nfs/dbraw/zinc/21/04/43/968210443.db2.gz WCNLJVRTKIXRIJ-LBPRGKRZSA-N 2 0 212.337 1.193 20 0 BDADRP [NH3+][C@H]1CCN(c2cc[nH+]c(N3CCCCC3)c2)C1 ZINC001164281695 968210718 /nfs/dbraw/zinc/21/07/18/968210718.db2.gz KQXDVZFUXTYOQP-LBPRGKRZSA-N 2 0 246.358 1.609 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2ccncc2N)CC1 ZINC001206311523 968219391 /nfs/dbraw/zinc/21/93/91/968219391.db2.gz QGEBTRHEGGUTGP-AWEZNQCLSA-N 2 0 248.374 1.615 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cccnc2N)CC1 ZINC001206318918 968226283 /nfs/dbraw/zinc/22/62/83/968226283.db2.gz VDDGKTXACXVMDS-CQSZACIVSA-N 2 0 248.374 1.615 20 0 BDADRP Cc1cnc(N2C[C@@H](C[NH3+])CC[C@@H]2C)c(C[NH3+])c1 ZINC001164467663 968237828 /nfs/dbraw/zinc/23/78/28/968237828.db2.gz LAKNXKDKJATWCT-NWDGAFQWSA-N 2 0 248.374 1.412 20 0 BDADRP [NH3+]CCCC[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC001331820934 968248142 /nfs/dbraw/zinc/24/81/42/968248142.db2.gz KNVICRRPQUYRMK-MXWKQRLJSA-N 2 0 246.445 1.695 20 0 BDADRP [NH3+]CCc1nccn1-c1cccc2c1CC[C@@H]2[NH3+] ZINC001166382276 968318837 /nfs/dbraw/zinc/31/88/37/968318837.db2.gz DOBFBZWVZGFAOO-LBPRGKRZSA-N 2 0 242.326 1.320 20 0 BDADRP CCCC[C@@H](CC)C[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206458365 968319165 /nfs/dbraw/zinc/31/91/65/968319165.db2.gz YPHOMGXKAWJBQP-FRRDWIJNSA-N 2 0 228.380 1.454 20 0 BDADRP CC(C)(F)CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000698338879 968339887 /nfs/dbraw/zinc/33/98/87/968339887.db2.gz FJWSMJWGDPOSHW-RNWYCLNJSA-N 2 0 226.339 1.711 20 0 BDADRP C[C@@H](C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1)c1ccccc1 ZINC001206511818 968347256 /nfs/dbraw/zinc/34/72/56/968347256.db2.gz CKTICMCSWGAUAK-UBHSHLNASA-N 2 0 234.343 1.042 20 0 BDADRP C[C@]1(C[NH3+])CCCC[N@H+](CCCCC[NH3+])C1 ZINC001206540983 968369183 /nfs/dbraw/zinc/36/91/83/968369183.db2.gz DZRBNMQZUTZEHO-CYBMUJFWSA-N 3 0 227.396 1.566 20 0 BDADRP C[NH2+]CCN(C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206584502 968398409 /nfs/dbraw/zinc/39/84/09/968398409.db2.gz ZIZYVLXKJOAXBL-GFCCVEGCSA-N 2 0 213.369 1.058 20 0 BDADRP Cc1cc2[nH]ccc2c(N(C)C[C@@H]2CC[NH2+]C2)[nH+]1 ZINC001166956017 968404298 /nfs/dbraw/zinc/40/42/98/968404298.db2.gz RBOCYAGQXFDBTM-LLVKDONJSA-N 2 0 244.342 1.917 20 0 BDADRP CCC(CC)[NH+]1CCC(C[NH2+]C[C@H](C)O)CC1 ZINC001251973788 968414264 /nfs/dbraw/zinc/41/42/64/968414264.db2.gz NKLZNINUPAAZGF-LBPRGKRZSA-N 2 0 242.407 1.857 20 0 BDADRP CCCC[C@H](O)C[NH+]1C[C@H]2C[NH+](CC)C[C@@H]2C1 ZINC001252096457 968577174 /nfs/dbraw/zinc/57/71/74/968577174.db2.gz CCGDDXIOIIEQIY-MCIONIFRSA-N 2 0 240.391 1.421 20 0 BDADRP Cc1cnc(CN2CC3(C2)CC[NH+](C)CC3)cn1 ZINC001207080702 968613654 /nfs/dbraw/zinc/61/36/54/968613654.db2.gz ANYLTLKMBXLWMP-UHFFFAOYSA-N 2 0 246.358 1.313 20 0 BDADRP C[NH+](C)Cc1ccc(C2=CCC[NH2+]C2)nc1 ZINC001240652959 968626327 /nfs/dbraw/zinc/62/63/27/968626327.db2.gz LKQCPRVQAQPKTI-UHFFFAOYSA-N 2 0 217.316 1.520 20 0 BDADRP C[C@H]1CCC[N@H+](CC(C)(C)C[NH+](C)C)[C@@H]1CO ZINC001207274739 968705112 /nfs/dbraw/zinc/70/51/12/968705112.db2.gz FWSXJTQGQWNEEP-QWHCGFSZSA-N 2 0 242.407 1.667 20 0 BDADRP CN(CC(C)(C)C[NH+](C)C)C1CC[NH+](C)CC1 ZINC001207274996 968707073 /nfs/dbraw/zinc/70/70/73/968707073.db2.gz IFAORCIFXOXSOY-UHFFFAOYSA-N 2 0 241.423 1.600 20 0 BDADRP C[NH+](C)CC(C)(C)C[NH+]1CCC(CO)CC1 ZINC001207279332 968709973 /nfs/dbraw/zinc/70/99/73/968709973.db2.gz KTZBYTDSBGERRJ-UHFFFAOYSA-N 2 0 228.380 1.279 20 0 BDADRP C[C@@H]1CO[C@@H]2C[N@H+](CC(C)(C)C[NH+](C)C)C[C@H]12 ZINC001207283099 968719284 /nfs/dbraw/zinc/71/92/84/968719284.db2.gz RNNQRBWGDFYJHH-JHJVBQTASA-N 2 0 240.391 1.541 20 0 BDADRP C[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)CCC[C@H]1O ZINC001207391325 968747081 /nfs/dbraw/zinc/74/70/81/968747081.db2.gz FBFZXBUJZLSWGW-TZMCWYRMSA-N 2 0 240.391 1.421 20 0 BDADRP CCCCOC1C[NH+](CC2CC[NH+](C)CC2)C1 ZINC001207398347 968749253 /nfs/dbraw/zinc/74/92/53/968749253.db2.gz JOYPKKRGLSXAIB-UHFFFAOYSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@H]1C[N@H+](CC2CC[NH+](C)CC2)CC[C@@]1(C)O ZINC001207393928 968751255 /nfs/dbraw/zinc/75/12/55/968751255.db2.gz FUGJLWGNYLFPGD-GXTWGEPZSA-N 2 0 240.391 1.421 20 0 BDADRP C[C@@H]1CC(=O)CC[N@@H+]1CC1CC[NH2+]CC1 ZINC001207436581 968769814 /nfs/dbraw/zinc/76/98/14/968769814.db2.gz OQEBOHSPBVZYRZ-SNVBAGLBSA-N 2 0 210.321 1.039 20 0 BDADRP c1cc2c(cn1)C[N@H+](CC1CC[NH2+]CC1)C2 ZINC001207437158 968770370 /nfs/dbraw/zinc/77/03/70/968770370.db2.gz BKKPTADKKJDZGG-UHFFFAOYSA-N 2 0 217.316 1.397 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001207436258 968771424 /nfs/dbraw/zinc/77/14/24/968771424.db2.gz YVQNDGNPYYFQPB-ZIAGYGMSSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@]1(F)CC[N@H+](CC2CC[NH2+]CC2)C[C@H]1F ZINC001207436836 968771469 /nfs/dbraw/zinc/77/14/69/968771469.db2.gz RTPWFCCJGCCRGT-NEPJUHHUSA-N 2 0 232.318 1.758 20 0 BDADRP CN1CCC[C@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@@H]21 ZINC001207440913 968772804 /nfs/dbraw/zinc/77/28/04/968772804.db2.gz LYVYEIMDVRDSSQ-KBPBESRZSA-N 3 0 237.391 1.012 20 0 BDADRP C[NH+]1CCC(CC[N@@H+]2CCC[C@H](O)CC2)CC1 ZINC001207479371 968792058 /nfs/dbraw/zinc/79/20/58/968792058.db2.gz GXRFVMRYYWJKCT-AWEZNQCLSA-N 2 0 240.391 1.565 20 0 BDADRP C[NH+](C)C1(C)CN(CCC2CC[NH+](C)CC2)C1 ZINC001207487104 968800050 /nfs/dbraw/zinc/80/00/50/968800050.db2.gz QCJICXWFGZYNOZ-UHFFFAOYSA-N 2 0 239.407 1.354 20 0 BDADRP CO[C@H](C)C1C[NH+](CCC2CC[NH+](C)CC2)C1 ZINC001207487141 968800139 /nfs/dbraw/zinc/80/01/39/968800139.db2.gz IEFMJMXAFNLXHA-GFCCVEGCSA-N 2 0 240.391 1.685 20 0 BDADRP C[NH+]1CCC(CC[N@@H+]2CCn3nccc3C2)CC1 ZINC001207488919 968802129 /nfs/dbraw/zinc/80/21/29/968802129.db2.gz SUXWKDKEUMQURY-UHFFFAOYSA-N 2 0 248.374 1.431 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H]2CC23CC(O)C3)CC1 ZINC001207669463 968860063 /nfs/dbraw/zinc/86/00/63/968860063.db2.gz CKYMAIAFHORJAN-ROKHWSDSSA-N 2 0 238.375 1.221 20 0 BDADRP COC1CC([NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)C1 ZINC001207836610 968895094 /nfs/dbraw/zinc/89/50/94/968895094.db2.gz KARBTFVSPVSBSF-HQXFNHHZSA-N 2 0 224.348 1.094 20 0 BDADRP CCC[C@H](O)C[N@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001252785163 968960747 /nfs/dbraw/zinc/96/07/47/968960747.db2.gz AOPUMMPKOLAQEX-XQQFMLRXSA-N 2 0 226.364 1.031 20 0 BDADRP CCC[C@H](O)C[N@H+]1C[C@H]2C[NH+](CCC)C[C@H]2C1 ZINC001252789039 968965233 /nfs/dbraw/zinc/96/52/33/968965233.db2.gz GYBHPTXQZSREBJ-MJBXVCDLSA-N 2 0 240.391 1.421 20 0 BDADRP C[NH+]1CCC(C)(C[NH+]2CCSCC2)CC1 ZINC001208109323 969000044 /nfs/dbraw/zinc/00/00/44/969000044.db2.gz JBNNQXKMBQQDPN-UHFFFAOYSA-N 2 0 228.405 1.767 20 0 BDADRP C[NH+]1CCC(C)(C[NH+]2CC3(C2)CCCO3)CC1 ZINC001208108205 969000128 /nfs/dbraw/zinc/00/01/28/969000128.db2.gz RGWNZVFIPQDOLS-UHFFFAOYSA-N 2 0 238.375 1.583 20 0 BDADRP C[NH+]1CCC(C)(C[N@@H+]2CCCC[C@H](O)C2)CC1 ZINC001208105835 969000461 /nfs/dbraw/zinc/00/04/61/969000461.db2.gz CJRYEUBBOIUGAF-ZDUSSCGKSA-N 2 0 240.391 1.565 20 0 BDADRP C[N@H+](CC1(C)CC[NH+](C)CC1)C1COC1 ZINC001208113527 969008061 /nfs/dbraw/zinc/00/80/61/969008061.db2.gz LCFIUTMOXSXUDF-UHFFFAOYSA-N 2 0 212.337 1.049 20 0 BDADRP C[NH+](C)CCN1CCC([NH+]2CCCC2)CC1 ZINC001208123165 969011622 /nfs/dbraw/zinc/01/16/22/969011622.db2.gz FQPFWFJXQJBNHT-UHFFFAOYSA-N 2 0 225.380 1.108 20 0 BDADRP CN(C)c1cc[nH+]c(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC001155585649 969014609 /nfs/dbraw/zinc/01/46/09/969014609.db2.gz FPSXDEAGYQFJHH-WXHSDQCUSA-N 2 0 246.358 1.558 20 0 BDADRP CN(CC[NH+](C)C)CC[N@H+](C)Cc1ccccc1 ZINC001208129991 969028146 /nfs/dbraw/zinc/02/81/46/969028146.db2.gz QGMZLALANQGHFC-UHFFFAOYSA-N 2 0 249.402 1.612 20 0 BDADRP c1nn(C2C[NH2+]C2)cc1-c1ccc2c(c1)C[NH2+]C2 ZINC001241608623 969070282 /nfs/dbraw/zinc/07/02/82/969070282.db2.gz NDDMHAQZURGHGO-UHFFFAOYSA-N 2 0 240.310 1.298 20 0 BDADRP CC(C)(C)N1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000089749242 969144438 /nfs/dbraw/zinc/14/44/38/969144438.db2.gz PKTFIDYZCYUTJV-CYBMUJFWSA-N 2 0 239.407 1.402 20 0 BDADRP CN(C[C@H]1CCC[N@H+](C)C1)C1CC[NH+](C)CC1 ZINC001208603313 969154047 /nfs/dbraw/zinc/15/40/47/969154047.db2.gz AXBFPFDSXFGWBM-ZDUSSCGKSA-N 2 0 239.407 1.354 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCC[NH+](C)C2)CC[C@@]1(C)O ZINC001208606813 969162599 /nfs/dbraw/zinc/16/25/99/969162599.db2.gz HDAPWXVGCMFYGD-MGPQQGTHSA-N 2 0 240.391 1.421 20 0 BDADRP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253412834 969165296 /nfs/dbraw/zinc/16/52/96/969165296.db2.gz UJHYMOWOMCJTGE-QNWHQSFQSA-N 2 0 242.407 1.760 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH+]2CCCC3(COC3)C2)C1 ZINC001208607621 969165187 /nfs/dbraw/zinc/16/51/87/969165187.db2.gz MAQFAMACMDEZOP-CYBMUJFWSA-N 2 0 238.375 1.441 20 0 BDADRP C[C@H]1CC[C@H](C)C1[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253412835 969166777 /nfs/dbraw/zinc/16/67/77/969166777.db2.gz UJHYMOWOMCJTGE-SRVKXCTJSA-N 2 0 242.407 1.760 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1CN(C[C@@H]1CCC[NH+](C)C1)C2 ZINC001208617549 969178172 /nfs/dbraw/zinc/17/81/72/969178172.db2.gz PXDCZJJWOOLQRX-MCIONIFRSA-N 2 0 237.391 1.107 20 0 BDADRP CC(C)CCC[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001208737127 969228849 /nfs/dbraw/zinc/22/88/49/969228849.db2.gz UXBJICYGBBDYEU-UHFFFAOYSA-N 2 0 241.423 1.602 20 0 BDADRP CO[C@@H]1CCC[C@@H]([N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC000723470238 969318042 /nfs/dbraw/zinc/31/80/42/969318042.db2.gz RNBWMODQHZIIDR-DDHJBXDOSA-N 2 0 212.337 1.223 20 0 BDADRP COCCC[N@H+](C)C1CCN(C)CC1 ZINC001209048545 969333802 /nfs/dbraw/zinc/33/38/02/969333802.db2.gz ZQNDKJXAUQGGCK-UHFFFAOYSA-N 2 0 200.326 1.049 20 0 BDADRP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](C[C@H](O)C(C)(C)C)C2 ZINC001253731113 969353026 /nfs/dbraw/zinc/35/30/26/969353026.db2.gz LYUSOEWKBVPNFX-MBNYWOFBSA-N 2 0 240.391 1.277 20 0 BDADRP CCSCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169096454 969388475 /nfs/dbraw/zinc/38/84/75/969388475.db2.gz WXSBKXGSIJGWCM-ZSBIGDGJSA-N 2 0 228.405 1.954 20 0 BDADRP CCSCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169096453 969390120 /nfs/dbraw/zinc/39/01/20/969390120.db2.gz WXSBKXGSIJGWCM-CNDDSTCGSA-N 2 0 228.405 1.954 20 0 BDADRP CCC[C@@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169098389 969392403 /nfs/dbraw/zinc/39/24/03/969392403.db2.gz HAVQRWIRMGXXNH-RVMXOQNASA-N 2 0 226.364 1.362 20 0 BDADRP COCC[NH+]1CCC(C2CC[NH+](C)CC2)CC1 ZINC001209212429 969401049 /nfs/dbraw/zinc/40/10/49/969401049.db2.gz DCYNAYMAZKXBOA-UHFFFAOYSA-N 2 0 240.391 1.687 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1cncc1C[NH3+])C2 ZINC001169081359 969403055 /nfs/dbraw/zinc/40/30/55/969403055.db2.gz RYMCKEMYSJNURW-URLYPYJESA-N 2 0 220.320 1.140 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1cccnc1)C2 ZINC001169081335 969404479 /nfs/dbraw/zinc/40/44/79/969404479.db2.gz RIZAWXIIRHUFEX-QKDCVEJESA-N 2 0 245.370 1.839 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C(C)C)C[C@H]1C ZINC001253787589 969407734 /nfs/dbraw/zinc/40/77/34/969407734.db2.gz COSRKKKZPMFAHW-MGPQQGTHSA-N 2 0 242.407 1.712 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@]1(C)CCOC1)C2 ZINC001169119304 969413589 /nfs/dbraw/zinc/41/35/89/969413589.db2.gz RASPPVHCKIYMGH-FVCCEPFGSA-N 2 0 224.348 1.380 20 0 BDADRP C[C@@H]1C[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CCCO1 ZINC001169125382 969425647 /nfs/dbraw/zinc/42/56/47/969425647.db2.gz HMHNDUAAMNJCKF-YIYPIFLZSA-N 2 0 238.375 1.722 20 0 BDADRP C[C@@H]1C[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[C@@H]1O ZINC001169126723 969430930 /nfs/dbraw/zinc/43/09/30/969430930.db2.gz WZGBSMVVZCKLGF-RGDJUOJXSA-N 2 0 238.375 1.314 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(CO)CCC1)C2 ZINC001169108064 969447554 /nfs/dbraw/zinc/44/75/54/969447554.db2.gz NTNIONUHYMWIKE-ZSBIGDGJSA-N 2 0 224.348 1.116 20 0 BDADRP CC[N@@H+]1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169114787 969452307 /nfs/dbraw/zinc/45/23/07/969452307.db2.gz YNCAJBMOCHARLB-YIYPIFLZSA-N 2 0 237.391 1.295 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1[C@@H]3CC[C@H]1C[NH+](C)C3)C2 ZINC001169143331 969462389 /nfs/dbraw/zinc/46/23/89/969462389.db2.gz ZVYRJZMSIMIXCI-OYQDBORRSA-N 2 0 249.402 1.390 20 0 BDADRP CO[C@@H](C)C1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169154420 969474515 /nfs/dbraw/zinc/47/45/15/969474515.db2.gz QDGFDLRHOJEFRJ-DEQVHRJGSA-N 2 0 238.375 1.578 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@H]2C[C@@](C)(O)C2)CC1 ZINC001169230811 969502738 /nfs/dbraw/zinc/50/27/38/969502738.db2.gz JNIPGSFHXCAHOA-BJHJDKERSA-N 2 0 226.364 1.221 20 0 BDADRP C(C1CCC1)N1CC[C@H]([NH2+][C@@H]2CCCOC2)C1 ZINC001254371655 969585566 /nfs/dbraw/zinc/58/55/66/969585566.db2.gz LWRDFIZMBJDWCW-UONOGXRCSA-N 2 0 238.375 1.629 20 0 BDADRP CN(CCC[NH+]1CCCC1)Cc1c[nH+]ccc1N ZINC001209729879 969588294 /nfs/dbraw/zinc/58/82/94/969588294.db2.gz DFOVXKABNUGBOR-UHFFFAOYSA-N 2 0 248.374 1.412 20 0 BDADRP CCN(CCC[NH+](C)C)Cc1c[nH+]ccc1N ZINC001209733422 969594357 /nfs/dbraw/zinc/59/43/57/969594357.db2.gz WODGUTYZECOLTJ-UHFFFAOYSA-N 2 0 236.363 1.268 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+]CCCCCCC[NH3+])CC1 ZINC001254507058 969651855 /nfs/dbraw/zinc/65/18/55/969651855.db2.gz DYGNHIJBSUIPEL-CQSZACIVSA-N 3 0 241.423 1.970 20 0 BDADRP C[C@@H]1CNC[C@H](C)[N@H+]1CC1(C)CC[NH2+]CC1 ZINC001209856956 969669997 /nfs/dbraw/zinc/66/99/97/969669997.db2.gz YXXOCIPLDICONL-TXEJJXNPSA-N 2 0 225.380 1.058 20 0 BDADRP C[N@@H+]1CCC[C@@H](N(C(N)=[NH2+])c2ccccc2)CC1 ZINC001254504324 969670488 /nfs/dbraw/zinc/67/04/88/969670488.db2.gz TZBPGROURICUDZ-CYBMUJFWSA-N 2 0 246.358 1.871 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+]CCc2ncccn2)CC1 ZINC001254505902 969671321 /nfs/dbraw/zinc/67/13/21/969671321.db2.gz LLLSXFPIWKTPRK-GFCCVEGCSA-N 2 0 234.347 1.093 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+]CCC2COC2)CC1 ZINC001254506073 969675893 /nfs/dbraw/zinc/67/58/93/969675893.db2.gz OSDYUGYCRPVNMI-GFCCVEGCSA-N 2 0 212.337 1.097 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCC[C@H]2CO)CC1 ZINC001254513845 969682060 /nfs/dbraw/zinc/68/20/60/969682060.db2.gz GHTJQXMYOJSXRC-XQQFMLRXSA-N 2 0 226.364 1.221 20 0 BDADRP CC[N@H+](CCOC)[C@H]1CCC[NH+](C)CC1 ZINC001254515843 969686496 /nfs/dbraw/zinc/68/64/96/969686496.db2.gz DXIQTRGXFAMRIB-LBPRGKRZSA-N 2 0 214.353 1.439 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+][C@]2(C)CCCOC2)CC1 ZINC001254514531 969687907 /nfs/dbraw/zinc/68/79/07/969687907.db2.gz MCBIJFVSBLLFCD-CHWSQXEVSA-N 2 0 226.364 1.629 20 0 BDADRP C[NH+](C)[C@H]1CCN([C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254516326 969689369 /nfs/dbraw/zinc/68/93/69/969689369.db2.gz LWMDVDJUEAXQNT-OLZOCXBDSA-N 2 0 225.380 1.107 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH+]2CCC[C@](C)(O)C2)CC1 ZINC001254524384 969706629 /nfs/dbraw/zinc/70/66/29/969706629.db2.gz WHTCCIYXRHYILA-OLZOCXBDSA-N 2 0 226.364 1.318 20 0 BDADRP CN(CC[NH+]1CCCC1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254525500 969717554 /nfs/dbraw/zinc/71/75/54/969717554.db2.gz JTUJXCPQTCOULG-CQSZACIVSA-N 2 0 239.407 1.498 20 0 BDADRP C[N@H+]([C@H]1CCCOC1)[C@H]1CCC[NH+](C)CC1 ZINC001254533637 969724607 /nfs/dbraw/zinc/72/46/07/969724607.db2.gz NZTGRQCNSBOHIJ-STQMWFEESA-N 2 0 226.364 1.582 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@H]1CC2CCN(CC2)C1 ZINC001254831330 969793485 /nfs/dbraw/zinc/79/34/85/969793485.db2.gz LDIHSNZCPDCLLN-AWEZNQCLSA-N 2 0 239.407 1.402 20 0 BDADRP [NH3+]CCc1cncn1[C@H]1CC2CC[NH+](CC2)C1 ZINC001254834712 969796685 /nfs/dbraw/zinc/79/66/85/969796685.db2.gz YHZWMGAOGSUISE-ZDUSSCGKSA-N 2 0 234.347 1.041 20 0 BDADRP C1C[NH+]2CCC1C[C@H](N1CC[NH+]3CCC1CC3)C2 ZINC001254863378 969812736 /nfs/dbraw/zinc/81/27/36/969812736.db2.gz DPKUSKHGDFGNCQ-HNNXBMFYSA-N 2 0 249.402 1.251 20 0 BDADRP CC[N@@H+]1C[C@@H]2C[C@H]1CN2[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254866525 969813309 /nfs/dbraw/zinc/81/33/09/969813309.db2.gz PKKUSRWCEJDDBN-ZNMIVQPWSA-N 2 0 249.402 1.249 20 0 BDADRP c1cn([C@H]2CC3CC[NH+](CC3)C2)c2c1C[NH2+]CC2 ZINC001254867200 969813885 /nfs/dbraw/zinc/81/38/85/969813885.db2.gz HBBRUPLVPQJBQZ-AWEZNQCLSA-N 2 0 245.370 1.791 20 0 BDADRP C[NH+](C)CCCC[NH2+]C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001254914295 969817841 /nfs/dbraw/zinc/81/78/41/969817841.db2.gz KZDARXMYGPIEGQ-RYUDHWBXSA-N 2 0 238.375 1.676 20 0 BDADRP CC(C)[N@H+](CCC[NH3+])C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254922196 969822434 /nfs/dbraw/zinc/82/24/34/969822434.db2.gz MVLYPRIHUJZRDB-VXGBXAGGSA-N 2 0 238.375 1.803 20 0 BDADRP [NH3+]CCCCCN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001210197158 969829413 /nfs/dbraw/zinc/82/94/13/969829413.db2.gz XYXCUCWLFCEISO-OAHLLOKOSA-N 2 0 247.386 1.762 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+][C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254939525 969829826 /nfs/dbraw/zinc/82/98/26/969829826.db2.gz BYWHJXDRWHOMLO-YQPPGCHHSA-N 2 0 222.332 1.214 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001254939524 969830865 /nfs/dbraw/zinc/83/08/65/969830865.db2.gz BYWHJXDRWHOMLO-WTTBSCSTSA-N 2 0 222.332 1.214 20 0 BDADRP C[n+]1cccc(NCC23CC[NH+](CC2)CC3)c1 ZINC001169800259 969849085 /nfs/dbraw/zinc/84/90/85/969849085.db2.gz RUHAFFZOPGTSGM-UHFFFAOYSA-N 2 0 232.351 1.409 20 0 BDADRP [NH3+]Cc1cc(NCC23CC[NH+](CC2)CC3)ccn1 ZINC001169803307 969850171 /nfs/dbraw/zinc/85/01/71/969850171.db2.gz WNYJBHQYBRPFHH-UHFFFAOYSA-N 2 0 246.358 1.438 20 0 BDADRP C[NH+](C)[C@H]1CC[C@@H]([NH2+]C2CCOCC2)CC1 ZINC001255036751 969859059 /nfs/dbraw/zinc/85/90/59/969859059.db2.gz GPTACMDTCWNBPR-BJHJDKERSA-N 2 0 226.364 1.628 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H]([NH2+]C2CCOCC2)[C@H](C)C1 ZINC001255038743 969861054 /nfs/dbraw/zinc/86/10/54/969861054.db2.gz QCLQWZJAPIZHLZ-TZMCWYRMSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@H]1[C@H]2CC[N@@H+]1C[C@H]([NH2+]C1CCSCC1)C2 ZINC001255082096 969874910 /nfs/dbraw/zinc/87/49/10/969874910.db2.gz QEEIEIQYEYSGBG-GMXVVIOVSA-N 2 0 240.416 1.954 20 0 BDADRP C[C@H]1CCN(Cc2cccc(N)c2)CC[NH2+]1 ZINC001210496495 969906017 /nfs/dbraw/zinc/90/60/17/969906017.db2.gz HKQLQODLWCIWKK-NSHDSACASA-N 2 0 219.332 1.453 20 0 BDADRP C([NH2+][C@H]1CCSC1)C12CC[NH+](CC1)CC2 ZINC001255271912 970023588 /nfs/dbraw/zinc/02/35/88/970023588.db2.gz MGIPQSJGNBMVIM-NSHDSACASA-N 2 0 226.389 1.567 20 0 BDADRP COCCC1([NH3+])CC[NH+]([C@H]2CCSC2)CC1 ZINC001255274621 970024777 /nfs/dbraw/zinc/02/47/77/970024777.db2.gz CZHGINVBUQDVJK-NSHDSACASA-N 2 0 244.404 1.322 20 0 BDADRP CC(C)([NH3+])C(C)(C)[NH2+][C@H]1CCSC1 ZINC001255273623 970026636 /nfs/dbraw/zinc/02/66/36/970026636.db2.gz AIUCDLNZBQRSTK-QMMMGPOBSA-N 2 0 202.367 1.597 20 0 BDADRP CC1(C)CCC(NC(=[NH2+])NCCCC[NH3+])CC1 ZINC001255297801 970063459 /nfs/dbraw/zinc/06/34/59/970063459.db2.gz JAYRYUSFZSIMMI-UHFFFAOYSA-N 2 0 240.395 1.808 20 0 BDADRP C[N@@H+]1CC[C@H](n2nc(CC[NH3+])c3ccccc32)C1 ZINC001255417411 970138523 /nfs/dbraw/zinc/13/85/23/970138523.db2.gz MGVGFQSHUJZRFP-NSHDSACASA-N 2 0 244.342 1.414 20 0 BDADRP CN1CC[C@H]([NH2+]CCCCCCC[NH3+])C1 ZINC001255423988 970150171 /nfs/dbraw/zinc/15/01/71/970150171.db2.gz PMBPYXYYAXDSAC-LBPRGKRZSA-N 2 0 213.369 1.189 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCN(C)C2)[C@H](C)C1 ZINC001255425450 970151365 /nfs/dbraw/zinc/15/13/65/970151365.db2.gz GNUDTNAFAOYPGH-HZSPNIEDSA-N 2 0 239.407 1.399 20 0 BDADRP Cn1c[nH+]cc1Nc1cc[nH+]c2c1CCC2 ZINC001211246757 970192382 /nfs/dbraw/zinc/19/23/82/970192382.db2.gz PVUYOAAOJXLWLO-UHFFFAOYSA-N 2 0 214.272 1.469 20 0 BDADRP CCCN(CCC[NH3+])[C@H]1CCC[N@H+](C)C1 ZINC001255468551 970193129 /nfs/dbraw/zinc/19/31/29/970193129.db2.gz VDXZHDNYSNCTAW-LBPRGKRZSA-N 2 0 213.369 1.141 20 0 BDADRP C[NH2+]Cc1ccc(N[C@H]2CCC[N@H+](C)C2)cc1 ZINC001255486484 970232814 /nfs/dbraw/zinc/23/28/14/970232814.db2.gz LZQMLHZPYWEEDP-AWEZNQCLSA-N 2 0 233.359 1.912 20 0 BDADRP C[NH+](C)[C@@H]1CCCN([C@H]2CCC[N@H+](C)C2)C1 ZINC001255485338 970238815 /nfs/dbraw/zinc/23/88/15/970238815.db2.gz BLGFLTUYRUXHHJ-OLZOCXBDSA-N 2 0 225.380 1.107 20 0 BDADRP CC[NH+](CC)[C@@H]1CCN([C@H]2CCC[N@H+](C)C2)C1 ZINC001255489832 970243755 /nfs/dbraw/zinc/24/37/55/970243755.db2.gz QPPHAQBPCXCIOF-UONOGXRCSA-N 2 0 239.407 1.497 20 0 BDADRP CN1CCC[C@H]([N@@H+]2C[C@H]3CCCN(C)[C@@H]3C2)C1 ZINC001255495468 970258087 /nfs/dbraw/zinc/25/80/87/970258087.db2.gz PTLWANKKMPLVCE-HZSPNIEDSA-N 2 0 237.391 1.107 20 0 BDADRP C1=C(c2ccc([C@@H]3CCC[NH2+]3)cn2)C[NH2+]C1 ZINC001243106949 970335406 /nfs/dbraw/zinc/33/54/06/970335406.db2.gz DEZBGQZKRXRYPH-LBPRGKRZSA-N 2 0 215.300 1.493 20 0 BDADRP CC[NH+](CC)CCNC(=[NH2+])N[C@@H]1CC[C@@H](C)C1 ZINC001170125385 970372013 /nfs/dbraw/zinc/37/20/13/970372013.db2.gz LHLXPCXCIXAVLL-VXGBXAGGSA-N 2 0 240.395 1.631 20 0 BDADRP COC[C@@H](C)[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001255578156 970384141 /nfs/dbraw/zinc/38/41/41/970384141.db2.gz FFQKEOJASZCSCQ-LLVKDONJSA-N 2 0 212.337 1.049 20 0 BDADRP COC[C@H](C)N1CCC([N@H+](C)C2CC2)CC1 ZINC001255582749 970386641 /nfs/dbraw/zinc/38/66/41/970386641.db2.gz ZBHPMKNTYUAKMK-NSHDSACASA-N 2 0 226.364 1.580 20 0 BDADRP CCC[N@H+]1C[C@@H]2C[NH+]([C@@H](C)COC)C[C@@H]2C1 ZINC001255582931 970387122 /nfs/dbraw/zinc/38/71/22/970387122.db2.gz FCMQKXMUKNAGKQ-RWMBFGLXSA-N 2 0 226.364 1.295 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]C1CCC2(CC1)OCCO2 ZINC001255620515 970401628 /nfs/dbraw/zinc/40/16/28/970401628.db2.gz FQUWHOHXTTZHPA-NWDGAFQWSA-N 2 0 240.347 1.142 20 0 BDADRP CN(CC[NH+](C)C)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255673834 970451574 /nfs/dbraw/zinc/45/15/74/970451574.db2.gz GDORGGUSMUGHMX-PBWFPOADSA-N 2 0 239.407 1.495 20 0 BDADRP CO[C@@H]1CC[N@@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001255674335 970452190 /nfs/dbraw/zinc/45/21/90/970452190.db2.gz QBYHINBYAJUVRK-QNMSZWNNSA-N 2 0 238.375 1.722 20 0 BDADRP C[C@H]1CC[C@@H]([NH+]2CC(N3CC[NH+](C)CC3)C2)C1 ZINC001170160462 970498011 /nfs/dbraw/zinc/49/80/11/970498011.db2.gz ZOKXJLKWQTXBNK-QWHCGFSZSA-N 2 0 237.391 1.107 20 0 BDADRP CC[C@@H]1C[C@H]([N@H+](C)C[C@@H](C)C[NH3+])CCO1 ZINC001170182609 970559252 /nfs/dbraw/zinc/55/92/52/970559252.db2.gz NJWQBDHFWWZNMU-QJPTWQEYSA-N 2 0 214.353 1.471 20 0 BDADRP CC[NH+](CC)CC[C@H](C)n1nc(C[NH3+])cc1C ZINC001255941948 970568361 /nfs/dbraw/zinc/56/83/61/970568361.db2.gz CGNWQKOCSBWKIU-NSHDSACASA-N 2 0 238.379 1.943 20 0 BDADRP CC[NH+](CC)CC[C@H](C)NCC[NH+](C)C ZINC001255940083 970569526 /nfs/dbraw/zinc/56/95/26/970569526.db2.gz OBSSXYIKGKYHPO-LBPRGKRZSA-N 2 0 215.385 1.258 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]CCCCO ZINC001255940143 970572693 /nfs/dbraw/zinc/57/26/93/970572693.db2.gz QOGYOBUSYMIIPL-LBPRGKRZSA-N 2 0 216.369 1.469 20 0 BDADRP Cc1nn(C)cc1C[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000400318093 970573262 /nfs/dbraw/zinc/57/32/62/970573262.db2.gz ARXNRTYBNLXEDJ-JTQLQIEISA-N 2 0 236.363 1.206 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC001255941879 970578272 /nfs/dbraw/zinc/57/82/72/970578272.db2.gz YSQGEMJRMMKJCW-MJBXVCDLSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)[NH+]1CCCCC1 ZINC000400559330 970604132 /nfs/dbraw/zinc/60/41/32/970604132.db2.gz HHVFZHVXUMJGRW-MELADBBJSA-N 2 0 239.407 1.591 20 0 BDADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N[C@H](C)CC[NH+](C)C ZINC000400783450 970629770 /nfs/dbraw/zinc/62/97/70/970629770.db2.gz IFRCVLMTPKHINF-TUAOUCFPSA-N 2 0 243.395 1.206 20 0 BDADRP C[NH+]1CC(CNc2cc[nH+]c(C3CC3)c2)C1 ZINC001170256511 970637663 /nfs/dbraw/zinc/63/76/63/970637663.db2.gz PLYOGFZJGCQCOF-UHFFFAOYSA-N 2 0 217.316 1.933 20 0 BDADRP CN1CCC([NH2+]CCCCC[NH+](C)C)CC1 ZINC001256194444 970685432 /nfs/dbraw/zinc/68/54/32/970685432.db2.gz ALQTWHUHNPZFES-UHFFFAOYSA-N 2 0 227.396 1.402 20 0 BDADRP CN1CCC([NH2+]CCCC[NH+]2CCCC2)CC1 ZINC001256194618 970685784 /nfs/dbraw/zinc/68/57/84/970685784.db2.gz JYJIHEDLNGAMIT-UHFFFAOYSA-N 2 0 239.407 1.546 20 0 BDADRP CC(C)[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001256211470 970719580 /nfs/dbraw/zinc/71/95/80/970719580.db2.gz XYVRIVVOGRJVMY-CQSZACIVSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H]1[C@@H]([NH3+])CCCN1c1ccc2c(n1)CC[NH2+]C2 ZINC001157731300 970749330 /nfs/dbraw/zinc/74/93/30/970749330.db2.gz BCHVUPTVBWOXGB-PWSUYJOCSA-N 2 0 246.358 1.043 20 0 BDADRP C[C@@H]1[C@@H]([NH3+])CCCN1c1cc2[nH]ccc2c[nH+]1 ZINC001157734370 970757167 /nfs/dbraw/zinc/75/71/67/970757167.db2.gz WBEGSNIMWDREAX-KOLCDFICSA-N 2 0 230.315 1.879 20 0 BDADRP C[C@H]1C[C@@H]1C[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222533441 972556277 /nfs/dbraw/zinc/55/62/77/972556277.db2.gz ZHHNGIMQFMKEJK-VHSXEESVSA-N 2 0 200.301 1.405 20 0 BDADRP CC[C@@H]([NH3+])CN1Cc2ccccc2[C@@H]2C[NH2+]C[C@@H]21 ZINC001222559626 972568373 /nfs/dbraw/zinc/56/83/73/972568373.db2.gz ZLKJQGCATDMHLN-SNPRPXQTSA-N 2 0 245.370 1.295 20 0 BDADRP CC1CCC([N@@H+]2CCC[C@@](O)(C[NH3+])CC2)CC1 ZINC001246544660 972606263 /nfs/dbraw/zinc/60/62/63/972606263.db2.gz ROEWMRBEBBRYQR-RUXDESIVSA-N 2 0 240.391 1.741 20 0 BDADRP [NH3+][C@H]1CN(CCC2CC[NH2+]CC2)CC(F)(F)C1 ZINC001206116958 972616376 /nfs/dbraw/zinc/61/63/76/972616376.db2.gz HWOQHXKPAOCUSP-LLVKDONJSA-N 2 0 247.333 1.044 20 0 BDADRP CCC[C@@H](C)[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246545431 972632870 /nfs/dbraw/zinc/63/28/70/972632870.db2.gz VSBLVIOPFPMDQG-VXGBXAGGSA-N 2 0 214.353 1.351 20 0 BDADRP [NH3+][C@H]1CCCN([C@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001246548087 972678334 /nfs/dbraw/zinc/67/83/34/972678334.db2.gz QPCPKPPTXRJPRR-KBPBESRZSA-N 2 0 237.391 1.284 20 0 BDADRP CCC[NH+]1CCC(N2CCC[C@H]([NH3+])CC2)CC1 ZINC001246549255 972695549 /nfs/dbraw/zinc/69/55/49/972695549.db2.gz WHQVLHJHXVJOFP-ZDUSSCGKSA-N 2 0 239.407 1.674 20 0 BDADRP C[NH2+][C@H](C)CCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC001327840702 972754525 /nfs/dbraw/zinc/75/45/25/972754525.db2.gz SHJSFHCWPPURDI-HONMWMINSA-N 2 0 233.359 1.719 20 0 BDADRP COC[C@H](C)[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001246564122 972802731 /nfs/dbraw/zinc/80/27/31/972802731.db2.gz YWOJZCOCPKYQSS-SRVKXCTJSA-N 2 0 214.353 1.328 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](C)[C@@H](O)CC2)CC[NH2+]1 ZINC001246557677 972770889 /nfs/dbraw/zinc/77/08/89/972770889.db2.gz NVVWNFMKJMAQBY-NDBYEHHHSA-N 2 0 226.364 1.220 20 0 BDADRP CC(C)([NH3+])CNc1cccc(N2CC[NH2+]CC2)c1 ZINC001171192701 972841143 /nfs/dbraw/zinc/84/11/43/972841143.db2.gz KQTFVWSYCQENRB-UHFFFAOYSA-N 2 0 248.374 1.245 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N1C[C@@H]([NH3+])C[C@H](F)C1 ZINC001246572378 972853722 /nfs/dbraw/zinc/85/37/22/972853722.db2.gz GVILUZJIQVBRBO-AVGNSLFASA-N 2 0 245.386 1.478 20 0 BDADRP C[NH2+]CC[C@H](C)N1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001246572494 972856868 /nfs/dbraw/zinc/85/68/68/972856868.db2.gz YAHOAIWYKUJTJO-SDDRHHMPSA-N 2 0 213.369 1.044 20 0 BDADRP CC[C@@H](Cc1ccccc1)[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246574886 972870974 /nfs/dbraw/zinc/87/09/74/972870974.db2.gz BXMXIIGFXJPUJO-SOUVJXGZSA-N 2 0 248.370 1.259 20 0 BDADRP C[C@@H]1C[C@@H](N2CCCC[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC001246580419 972921947 /nfs/dbraw/zinc/92/19/47/972921947.db2.gz GNZKRAHJJXCWBR-AGIUHOORSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@H]1C[C@H](N2CCC3(CC[NH2+]C3)CC2)CC[NH2+]1 ZINC001246640195 973060398 /nfs/dbraw/zinc/06/03/98/973060398.db2.gz BXMZQWLYNBFRAI-CHWSQXEVSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@@H]1C[C@@H](N2CCC3(CC[NH2+]C3)CC2)CC[NH2+]1 ZINC001246640201 973060824 /nfs/dbraw/zinc/06/08/24/973060824.db2.gz BXMZQWLYNBFRAI-OLZOCXBDSA-N 2 0 237.391 1.202 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC001246676132 973084836 /nfs/dbraw/zinc/08/48/36/973084836.db2.gz YUGGTXHSZFIQGM-RQJABVFESA-N 2 0 237.391 1.199 20 0 BDADRP CC[C@@H]1C[C@@H](N(C)[C@@H]2CC[NH2+]C2)C[C@H](CC)[NH2+]1 ZINC001246803038 973099951 /nfs/dbraw/zinc/09/99/51/973099951.db2.gz LZORWBSFRSNQEK-XJFOESAGSA-N 2 0 239.407 1.589 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N2C[C@@H](C)[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC001246822542 973117374 /nfs/dbraw/zinc/11/73/74/973117374.db2.gz BRWMRJLLAHPAQN-CRWXNKLISA-N 2 0 239.407 1.445 20 0 BDADRP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)[C@H]1C ZINC001246825094 973121737 /nfs/dbraw/zinc/12/17/37/973121737.db2.gz UCJVQJKUDVHCJW-CMPLNLGQSA-N 2 0 240.347 1.012 20 0 BDADRP CN(C1C[NH2+]C1)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246834272 973129690 /nfs/dbraw/zinc/12/96/90/973129690.db2.gz TURWHLJCQQOEEK-ZYHUDNBSSA-N 2 0 225.380 1.057 20 0 BDADRP CC(C)(C)C1CCC(N(CC[NH3+])CC[NH3+])CC1 ZINC001246835383 973134182 /nfs/dbraw/zinc/13/41/82/973134182.db2.gz XJSHUOFIZFDNOJ-UHFFFAOYSA-N 2 0 241.423 1.811 20 0 BDADRP CO[C@@H]1CCC[C@H]([N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)C1 ZINC001246854875 973167580 /nfs/dbraw/zinc/16/75/80/973167580.db2.gz REOXLGWWSJJIJP-WUHRBBMRSA-N 2 0 224.348 1.367 20 0 BDADRP [NH3+]C/C=C/CNc1cc2[nH]ccc2c[nH+]1 ZINC001160977310 973190813 /nfs/dbraw/zinc/19/08/13/973190813.db2.gz TWJSONYWVSKGGK-OWOJBTEDSA-N 2 0 202.261 1.490 20 0 BDADRP C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)C[NH2+]1 ZINC001246875152 973266350 /nfs/dbraw/zinc/26/63/50/973266350.db2.gz XQPBCQDUYOSPGS-ROHXPCBUSA-N 2 0 212.312 1.274 20 0 BDADRP C[C@H]1CC[C@@H]([N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)C[NH2+]1 ZINC001246875147 973269865 /nfs/dbraw/zinc/26/98/65/973269865.db2.gz XQPBCQDUYOSPGS-KZZRWZIVSA-N 2 0 212.312 1.274 20 0 BDADRP CCN(CC[NH3+])[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246888374 973320045 /nfs/dbraw/zinc/32/00/45/973320045.db2.gz AIXKRONVOAVUJT-HUUCEWRRSA-N 2 0 247.386 1.760 20 0 BDADRP C1[NH2+]CC12C[C@H]([N@@H+]1[C@H]3CC[C@@H]1CCC3)CCN2 ZINC001246883068 973329013 /nfs/dbraw/zinc/32/90/13/973329013.db2.gz ULSCAOZQWFNSQV-FRRDWIJNSA-N 2 0 235.375 1.097 20 0 BDADRP CCC[C@H]1CN([C@H]2CC[NH2+][C@H](CC)C2)CC[NH2+]1 ZINC001246896945 973347085 /nfs/dbraw/zinc/34/70/85/973347085.db2.gz BVZJNTMNMNACJI-RDBSUJKOSA-N 2 0 239.407 1.591 20 0 BDADRP C[NH2+][C@@H]1CCN1[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246904908 973382825 /nfs/dbraw/zinc/38/28/25/973382825.db2.gz YSVAFYMHWXHCFG-STQMWFEESA-N 2 0 237.391 1.693 20 0 BDADRP C1[C@@H]2C[NH2+]C[C@@H]2N1C1CCC2(CCC[NH2+]C2)CC1 ZINC001246921382 973523314 /nfs/dbraw/zinc/52/33/14/973523314.db2.gz RYVAGMOPXPIYRU-LQULJDIASA-N 2 0 249.402 1.202 20 0 BDADRP C[C@@H]1CC(N2CCC[C@H]([NH3+])[C@@H]2C)C[C@@H](C)[NH2+]1 ZINC001246937502 973636461 /nfs/dbraw/zinc/63/64/61/973636461.db2.gz IGVBREDMLXAXFM-DCQANWLSSA-N 2 0 225.380 1.327 20 0 BDADRP C[C@@H]1CN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@H](C)[NH2+]1 ZINC001246962128 973673904 /nfs/dbraw/zinc/67/39/04/973673904.db2.gz CXUFJMBTGHNERQ-RVOPOGNISA-N 2 0 237.391 1.294 20 0 BDADRP CC1(C)C[C@H](N2CC[NH2+]C3=CCCC[C@@H]32)CC[NH2+]1 ZINC001246998475 973794871 /nfs/dbraw/zinc/79/48/71/973794871.db2.gz XHASJDNJJNKFDA-OCCSQVGLSA-N 2 0 249.402 1.859 20 0 BDADRP C[C@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])C1CCCCC1 ZINC001329498620 973801400 /nfs/dbraw/zinc/80/14/00/973801400.db2.gz FJZSZLRYEPRQIN-PWSUYJOCSA-N 2 0 241.379 1.138 20 0 BDADRP Nc1[nH]c2ccc(NC[C@@H]3CCCC[NH2+]3)cc2[nH+]1 ZINC001171333523 973856498 /nfs/dbraw/zinc/85/64/98/973856498.db2.gz FNYDCYNDNYAAPK-JTQLQIEISA-N 2 0 245.330 1.699 20 0 BDADRP CC[N@@H+]1CCC[C@@H](OC[C@@H]2CCCC[NH+]2C)C1 ZINC001224704613 973874954 /nfs/dbraw/zinc/87/49/54/973874954.db2.gz BFEMNGPQMXGTKO-UONOGXRCSA-N 2 0 240.391 1.972 20 0 BDADRP [NH3+]CCc1ccccc1Nc1nccnc1C[NH3+] ZINC001171449991 974074357 /nfs/dbraw/zinc/07/43/57/974074357.db2.gz RPYWUUHIVAMHEJ-UHFFFAOYSA-N 2 0 243.314 1.180 20 0 BDADRP C[NH+](C)CCCCO[C@@H]1CCC[N@H+](C)CC1 ZINC001224991779 974122732 /nfs/dbraw/zinc/12/27/32/974122732.db2.gz AWDTYOMJALNUCQ-CYBMUJFWSA-N 2 0 228.380 1.829 20 0 BDADRP N[C@@H]1CC[N@H+](C[C@@H]2CCCCO2)CC[C@@H]1F ZINC001206156940 974333767 /nfs/dbraw/zinc/33/37/67/974333767.db2.gz UOEICFQMQFIJQR-SDDRHHMPSA-N 2 0 230.327 1.317 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(C)COC1)C2 ZINC001172099317 974336878 /nfs/dbraw/zinc/33/68/78/974336878.db2.gz JGKXMRBPMOCBAO-XYYAHUGASA-N 2 0 238.375 1.628 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](n1nccc1C[NH3+])C2 ZINC001172100707 974343820 /nfs/dbraw/zinc/34/38/20/974343820.db2.gz RPMAZJUKSRSIPW-PTEHBNRSSA-N 2 0 234.347 1.530 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1CSC1)C2 ZINC001172105112 974365968 /nfs/dbraw/zinc/36/59/68/974365968.db2.gz GWEADSNOTMJAFE-XYYAHUGASA-N 2 0 240.416 1.954 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC[C@H]1C[NH3+])C2 ZINC001172104835 974367264 /nfs/dbraw/zinc/36/72/64/974367264.db2.gz GIVREJKUDPJGCR-RFQIPJPRSA-N 2 0 237.391 1.425 20 0 BDADRP CN(CC[NH+](C)C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172112852 974371827 /nfs/dbraw/zinc/37/18/27/974371827.db2.gz GDORGGUSMUGHMX-BTTYYORXSA-N 2 0 239.407 1.495 20 0 BDADRP CC(C)N1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001172219667 974448959 /nfs/dbraw/zinc/44/89/59/974448959.db2.gz JOZOKVDZMXDSIQ-RLAWYHOSSA-N 2 0 238.375 1.769 20 0 BDADRP C[C@@H](C[NH3+])C[N@H+](C)C1C[C@H]2CC[C@@H](C1)O2 ZINC001172224448 974459873 /nfs/dbraw/zinc/45/98/73/974459873.db2.gz PUHMMQXRPVFUDI-YEJSDXFRSA-N 2 0 212.337 1.223 20 0 BDADRP CCC[N@H+](CCC[NH3+])[C@@H]1COC(C)(C)C1 ZINC001172269879 974487974 /nfs/dbraw/zinc/48/79/74/974487974.db2.gz ITONKAIZYXQDFS-NSHDSACASA-N 2 0 214.353 1.615 20 0 BDADRP CC1(C)C[C@@H]([NH2+]CC23CC[NH+](CC2)CC3)CO1 ZINC001172276833 974493209 /nfs/dbraw/zinc/49/32/09/974493209.db2.gz OPBNOZBQNBEACN-GFCCVEGCSA-N 2 0 238.375 1.629 20 0 BDADRP CC(C)([NH3+])C(C)(C)[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172236809 974495431 /nfs/dbraw/zinc/49/54/31/974495431.db2.gz OEQGNIWPYTXHJB-FGWVZKOKSA-N 2 0 224.348 1.578 20 0 BDADRP CC[C@@H](C)OCC[C@@H](C)NC(=[NH2+])SCC[NH3+] ZINC001172318656 974527141 /nfs/dbraw/zinc/52/71/41/974527141.db2.gz KRPCZBCAZCTVHA-NXEZZACHSA-N 2 0 247.408 1.796 20 0 BDADRP CC(C)([NH3+])CCNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC001330952363 974538802 /nfs/dbraw/zinc/53/88/02/974538802.db2.gz QHXQKWKBPLJOLK-SNVBAGLBSA-N 2 0 241.379 1.008 20 0 BDADRP CCOCC[C@H](C)[NH2+]CCCC[NH+](C)C ZINC001172406944 974663622 /nfs/dbraw/zinc/66/36/22/974663622.db2.gz QMZTZQURXCXMTN-LBPRGKRZSA-N 2 0 216.369 1.733 20 0 BDADRP C[NH2+][C@@H](C)CC[NH2+]C[C@@H]1CCSC1 ZINC001331419847 974713856 /nfs/dbraw/zinc/71/38/56/974713856.db2.gz SUSNKQMPEKDSMN-UWVGGRQHSA-N 2 0 202.367 1.327 20 0 BDADRP CC[C@@H](CC(C)C)[NH2+]CCOCC[NH3+] ZINC001172390637 974740776 /nfs/dbraw/zinc/74/07/76/974740776.db2.gz WTSQZAUSOZZIRP-NSHDSACASA-N 2 0 202.342 1.376 20 0 BDADRP CC(C)OCC[C@H](C)NC(=[NH2+])SCC[NH3+] ZINC001172438230 974793374 /nfs/dbraw/zinc/79/33/74/974793374.db2.gz NKFKILCHGAZIOT-VIFPVBQESA-N 2 0 233.381 1.406 20 0 BDADRP CC(C)COCC[C@H](C)[N@H+](C)C[C@@H](C)C[NH3+] ZINC001172463436 974829037 /nfs/dbraw/zinc/82/90/37/974829037.db2.gz OKHBQCGKHPTSNM-STQMWFEESA-N 2 0 230.396 1.964 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@H]1CCC[C@H]1CCOC ZINC001331835919 974832089 /nfs/dbraw/zinc/83/20/89/974832089.db2.gz TYDQIOGYLQPGPP-AGIUHOORSA-N 2 0 228.380 1.779 20 0 BDADRP [NH3+][C@H]1CCN(Cc2ccc(F)cn2)CC[C@H]1F ZINC001206166013 974868128 /nfs/dbraw/zinc/86/81/28/974868128.db2.gz PWNRAMPARKSJOO-NEPJUHHUSA-N 2 0 241.285 1.482 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@H]([NH3+])CC(F)F ZINC001331980978 974900531 /nfs/dbraw/zinc/90/05/31/974900531.db2.gz LZYOKIDXJXQTGI-IVZWLZJFSA-N 2 0 235.322 1.076 20 0 BDADRP N[C@@H]1COC[C@H]1[NH2+]C1CCC2(CCCC2)CC1 ZINC001172724957 974909183 /nfs/dbraw/zinc/90/91/83/974909183.db2.gz DXMCYJXNGBJCEQ-CHWSQXEVSA-N 2 0 238.375 1.805 20 0 BDADRP [NH3+][C@@H](C[NH2+][C@H]1CCCOCC1)CC(F)F ZINC001332010818 974918650 /nfs/dbraw/zinc/91/86/50/974918650.db2.gz DQMCIJINKMNWAP-BDAKNGLRSA-N 2 0 222.279 1.128 20 0 BDADRP [NH3+]CCCCCC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC001332110252 974956714 /nfs/dbraw/zinc/95/67/14/974956714.db2.gz YMIQGDXLRSNUBK-RYUDHWBXSA-N 2 0 241.379 1.139 20 0 BDADRP CC[NH+]1CCC(Oc2cc[nH+]c(N)c2)CC1 ZINC001226656907 975003203 /nfs/dbraw/zinc/00/32/03/975003203.db2.gz NHMJUAGKTOGJOF-UHFFFAOYSA-N 2 0 221.304 1.527 20 0 BDADRP CC[C@H](CO)[NH2+]C1CCC([NH+](CC)CC)CC1 ZINC001173106340 975025558 /nfs/dbraw/zinc/02/55/58/975025558.db2.gz UISUAPJKYZZMPM-IYXRBSQSSA-N 2 0 242.407 2.000 20 0 BDADRP CCC[NH2+]CC[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC001332402822 975094275 /nfs/dbraw/zinc/09/42/75/975094275.db2.gz SPRGRCNCXHKQBE-BFHYXJOUSA-N 2 0 240.391 1.781 20 0 BDADRP CC[C@H]1CC[C@H]([NH2+]CCOCC[NH3+])C1 ZINC001173266910 975131421 /nfs/dbraw/zinc/13/14/21/975131421.db2.gz OOILVMPQXXJOTD-QWRGUYRKSA-N 2 0 200.326 1.130 20 0 BDADRP CC[N@@H+]1CC[C@@H](N(C(N)=[NH2+])c2ccccc2)C1 ZINC001173350000 975290737 /nfs/dbraw/zinc/29/07/37/975290737.db2.gz HVSBYROIOCOBEI-GFCCVEGCSA-N 2 0 232.331 1.481 20 0 BDADRP CC[N@@H+]1CC[C@@H](Nc2cccc(F)c2C[NH3+])C1 ZINC001173349457 975293222 /nfs/dbraw/zinc/29/32/22/975293222.db2.gz GMKFSGZZTGAARZ-SNVBAGLBSA-N 2 0 237.322 1.791 20 0 BDADRP CCC(=O)N1CCC([NH2+]CCC(C)(C)[NH3+])CC1 ZINC001332865795 975298214 /nfs/dbraw/zinc/29/82/14/975298214.db2.gz MMCKCNDVZICRON-UHFFFAOYSA-N 2 0 241.379 1.104 20 0 BDADRP CC[N@@H+]1CC[C@@H](N2CC[C@@H]([NH3+])c3ccccc32)C1 ZINC001173355187 975310227 /nfs/dbraw/zinc/31/02/27/975310227.db2.gz NFFBWHXXBARXFI-TZMCWYRMSA-N 2 0 245.370 1.991 20 0 BDADRP CC[N@@H+]1CC[C@@H](N2CC[C@H]([NH3+])c3ccccc32)C1 ZINC001173355186 975312435 /nfs/dbraw/zinc/31/24/35/975312435.db2.gz NFFBWHXXBARXFI-OCCSQVGLSA-N 2 0 245.370 1.991 20 0 BDADRP CC[N@@H+]1CC[C@H](N2CCC[C@H]3C[NH+](C)C[C@H]32)C1 ZINC001173366100 975347516 /nfs/dbraw/zinc/34/75/16/975347516.db2.gz WKHNJRAMNNHFQD-MELADBBJSA-N 2 0 237.391 1.107 20 0 BDADRP CC[N@@H+]1CC[C@@H](N2CC3(C2)CC[NH+](C)CC3)C1 ZINC001173368979 975348418 /nfs/dbraw/zinc/34/84/18/975348418.db2.gz RWDVBKIACBBAMD-CYBMUJFWSA-N 2 0 237.391 1.108 20 0 BDADRP CC[N@@H+]1CC[C@H](N2CC3(C2)CC[NH+](C)CC3)C1 ZINC001173368983 975348784 /nfs/dbraw/zinc/34/87/84/975348784.db2.gz RWDVBKIACBBAMD-ZDUSSCGKSA-N 2 0 237.391 1.108 20 0 BDADRP COC(=O)CCCC[C@@H](C)[NH2+]CCC[NH+](C)C ZINC001173434495 975382257 /nfs/dbraw/zinc/38/22/57/975382257.db2.gz AUNIJHJZANBOLF-GFCCVEGCSA-N 2 0 244.379 1.650 20 0 BDADRP [NH3+]CCCC[NH2+]Cc1ccc2c(c1)C[NH2+]CC2 ZINC001333146223 975495288 /nfs/dbraw/zinc/49/52/88/975495288.db2.gz WFXDWPRJYRJXFE-UHFFFAOYSA-N 3 0 233.359 1.161 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc2c(c1)C[NH2+]CC2 ZINC001333145879 975496962 /nfs/dbraw/zinc/49/69/62/975496962.db2.gz RZNFUQNWUPMPBQ-LBPRGKRZSA-N 3 0 247.386 1.277 20 0 BDADRP Cc1cccnc1CN1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001333385832 975739259 /nfs/dbraw/zinc/73/92/59/975739259.db2.gz FPLFSNUXBWEIHP-HIFRSBDPSA-N 2 0 245.370 1.774 20 0 BDADRP C[NH2+]C[C@H](C)CN[C@H]1CC[NH2+]C12CCCC2 ZINC001334389753 976489282 /nfs/dbraw/zinc/48/92/82/976489282.db2.gz JGVMZXCYSCOZSM-RYUDHWBXSA-N 2 0 225.380 1.106 20 0 BDADRP CC1(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)OCCO1 ZINC001334391652 976489296 /nfs/dbraw/zinc/48/92/96/976489296.db2.gz WZKLARCMLBETRZ-QWRGUYRKSA-N 2 0 242.363 1.245 20 0 BDADRP Cc1[nH+]cn(C)c1Nc1cc[nH+]cc1C ZINC001174536724 976818383 /nfs/dbraw/zinc/81/83/83/976818383.db2.gz SMUGQWLCWMNKKF-UHFFFAOYSA-N 2 0 202.261 1.597 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)C2CC2)C1 ZINC001335350880 976986292 /nfs/dbraw/zinc/98/62/92/976986292.db2.gz LHPYEWRMZGMFLX-WCQYABFASA-N 2 0 226.364 1.077 20 0 BDADRP CC(C)OCC[C@@H](O)C[NH2+]CC[C@@H](C)[NH+](C)C ZINC001335381654 977014131 /nfs/dbraw/zinc/01/41/31/977014131.db2.gz OTTFVHJMTQBSFT-CHWSQXEVSA-N 2 0 246.395 1.092 20 0 BDADRP Cc1cc(N)nc(NC[C@H](C)C[NH+]2CCCC2)[nH+]1 ZINC001335418411 977040907 /nfs/dbraw/zinc/04/09/07/977040907.db2.gz UOAUYTVJSPLZAY-JTQLQIEISA-N 2 0 249.362 1.511 20 0 BDADRP C[N@@H+]1C[C@@H]2CN(c3cc[nH+]cc3)C[C@]2(C)C1 ZINC001336423551 977674310 /nfs/dbraw/zinc/67/43/10/977674310.db2.gz LOUYPXYVNLQOQD-YPMHNXCESA-N 2 0 217.316 1.470 20 0 BDADRP C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1cccc2c[nH+]cn21 ZINC001277559729 977730695 /nfs/dbraw/zinc/73/06/95/977730695.db2.gz HYBXEMOVVXOUJN-OKILXGFUSA-N 2 0 242.326 1.223 20 0 BDADRP C[NH+]1CCN(Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001232011984 977837904 /nfs/dbraw/zinc/83/79/04/977837904.db2.gz RTKUFFSGNJGXQD-UHFFFAOYSA-N 2 0 230.315 1.310 20 0 BDADRP O[C@@H]1CC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232011764 977839924 /nfs/dbraw/zinc/83/99/24/977839924.db2.gz OTOVJBLSKRDXSQ-LLVKDONJSA-N 2 0 217.272 1.130 20 0 BDADRP OC[C@H]1CCCC[N@@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232012176 977840029 /nfs/dbraw/zinc/84/00/29/977840029.db2.gz UVOQPWYGCQDPAZ-CYBMUJFWSA-N 2 0 245.326 1.910 20 0 BDADRP c1c2c[nH+]ccc2[nH]c1CN1CC[N@@H+]2CC[C@@H]2C1 ZINC001232018421 977845488 /nfs/dbraw/zinc/84/54/88/977845488.db2.gz KYNJRAAUEHXMDA-CYBMUJFWSA-N 2 0 242.326 1.453 20 0 BDADRP Cc1cc(N)nc(N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)[nH+]1 ZINC001336870247 978012788 /nfs/dbraw/zinc/01/27/88/978012788.db2.gz FLBKLBGDURLLGI-GARJFASQSA-N 2 0 247.346 1.119 20 0 BDADRP C[N@@H+]1CC[C@H]2CN(c3cc[nH+]cc3)CC[C@H]21 ZINC001336934050 978069728 /nfs/dbraw/zinc/06/97/28/978069728.db2.gz RGYHMPQPIGNKKY-WCQYABFASA-N 2 0 217.316 1.612 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC001206295667 978301249 /nfs/dbraw/zinc/30/12/49/978301249.db2.gz MVGFZMGMTXCDMI-STQMWFEESA-N 2 0 226.364 1.616 20 0 BDADRP C[NH+](C)C1CCC(OCC[NH+]2CCCC2)CC1 ZINC001206309814 978471831 /nfs/dbraw/zinc/47/18/31/978471831.db2.gz WQKDGPCCDXQHGY-UHFFFAOYSA-N 2 0 240.391 1.972 20 0 BDADRP Cc1nc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)c[nH]1 ZINC001206318465 978518302 /nfs/dbraw/zinc/51/83/02/978518302.db2.gz PXRZDIAZDAQSKO-CYBMUJFWSA-N 2 0 236.363 1.669 20 0 BDADRP CC[C@H](CNc1cc(C)[nH+]c(N)n1)[NH+]1CCCC1 ZINC001338338848 978660968 /nfs/dbraw/zinc/66/09/68/978660968.db2.gz LPZWPPPTTOVOBT-LLVKDONJSA-N 2 0 249.362 1.654 20 0 BDADRP Cc1cccc([C@H](O)C[NH2+]CCC[NH+](C)C)c1 ZINC001338425335 978680049 /nfs/dbraw/zinc/68/00/49/978680049.db2.gz YNZMHCFPCRUKLC-CQSZACIVSA-N 2 0 236.359 1.570 20 0 BDADRP CC(C)(C)[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)C2CC2)C1 ZINC001338491142 978695638 /nfs/dbraw/zinc/69/56/38/978695638.db2.gz FHTXRBVIIAXTDS-WCQYABFASA-N 2 0 240.391 1.467 20 0 BDADRP C[N@H+](CCCCNc1cc[nH+]cc1)C1CC1 ZINC001339463880 978855391 /nfs/dbraw/zinc/85/53/91/978855391.db2.gz ICPNMMPGHYEJKO-UHFFFAOYSA-N 2 0 219.332 1.790 20 0 BDADRP CCC[N@H+](CCO)CC1CC[NH+](CC)CC1 ZINC001180565929 978911205 /nfs/dbraw/zinc/91/12/05/978911205.db2.gz KODNQJHFANXRJM-UHFFFAOYSA-N 2 0 228.380 1.423 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@@H](Nc3cc[nH+]cc3)[C@@H]2C1 ZINC001339998987 978953263 /nfs/dbraw/zinc/95/32/63/978953263.db2.gz LMFBIVUGTJSHAC-CYZMBNFOSA-N 2 0 217.316 1.256 20 0 BDADRP CCC[C@@H](C)C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235052535 978962745 /nfs/dbraw/zinc/96/27/45/978962745.db2.gz GXWNHYMCXGNJIR-CHWSQXEVSA-N 2 0 225.380 1.060 20 0 BDADRP C[NH+]1CCC(C)(CN2CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001235072284 978969417 /nfs/dbraw/zinc/96/94/17/978969417.db2.gz HEYWTRSCHQUYOZ-CHWSQXEVSA-N 2 0 237.391 1.155 20 0 BDADRP [NH3+]C12CC(CCN3CCCC[C@@]34CC[NH2+]C4)(C1)C2 ZINC001235120477 978977768 /nfs/dbraw/zinc/97/77/68/978977768.db2.gz BUHUNTGNXKFUHY-NRXISQOPSA-N 2 0 249.402 1.476 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235153225 978984501 /nfs/dbraw/zinc/98/45/01/978984501.db2.gz QWSXDBBBIVBRTQ-CQSZACIVSA-N 3 0 239.407 1.450 20 0 BDADRP C(CN1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCCC[NH2+]1 ZINC001235194483 978994222 /nfs/dbraw/zinc/99/42/22/978994222.db2.gz WIXSKPOUOFWZLO-MCIONIFRSA-N 2 0 237.391 1.060 20 0 BDADRP [NH3+][C@H](CN1C[C@H]2CCC[NH2+][C@H]2C1)c1ccccc1 ZINC001235209336 978997759 /nfs/dbraw/zinc/99/77/59/978997759.db2.gz MPVLHSDPIHNQCV-KFWWJZLASA-N 2 0 245.370 1.370 20 0 BDADRP C[C@@H]([NH3+])CN1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235234286 979002108 /nfs/dbraw/zinc/00/21/08/979002108.db2.gz XEQOVNRATUCTLA-DGCLKSJQSA-N 2 0 225.380 1.188 20 0 BDADRP [NH3+]Cc1cccc(CN2C[C@H]([NH3+])C[C@H](F)C2)c1 ZINC001206444314 979011338 /nfs/dbraw/zinc/01/13/38/979011338.db2.gz HEKNDTVFLJBQEL-QWHCGFSZSA-N 2 0 237.322 1.016 20 0 BDADRP C[C@H]1C[NH2+]CCN1CC1CC2(C1)CC[NH2+]CC2 ZINC001235358220 979030328 /nfs/dbraw/zinc/03/03/28/979030328.db2.gz NPYTUQDUBPYLDU-LBPRGKRZSA-N 2 0 237.391 1.060 20 0 BDADRP OCCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235422218 979042449 /nfs/dbraw/zinc/04/24/49/979042449.db2.gz ADDZBJVROCPVJS-OLZOCXBDSA-N 2 0 226.364 1.080 20 0 BDADRP C[C@@H]1C[NH2+][C@@H](C)CN1C[C@H]([NH3+])Cc1ccccc1 ZINC001235442497 979046826 /nfs/dbraw/zinc/04/68/26/979046826.db2.gz WTZHTUJGFQZRIN-GZBFAFLISA-N 2 0 247.386 1.239 20 0 BDADRP C[C@@H]([NH3+])CN1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001235677255 979118629 /nfs/dbraw/zinc/11/86/29/979118629.db2.gz FZNBAFKSMRYDBB-KGLIPLIRSA-N 2 0 239.407 1.674 20 0 BDADRP C[C@@H]1[C@@H](C)CCC[N@@H+]1C[C@@H]1CNC(C)(C)O1 ZINC001235695618 979123695 /nfs/dbraw/zinc/12/36/95/979123695.db2.gz XEHPZWFDADTZQN-TUAOUCFPSA-N 2 0 226.364 1.831 20 0 BDADRP CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1CCCC[NH3+] ZINC001235726704 979133026 /nfs/dbraw/zinc/13/30/26/979133026.db2.gz PCNCINAPTXHJQR-NSHDSACASA-N 2 0 242.363 1.531 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC001235726574 979134184 /nfs/dbraw/zinc/13/41/84/979134184.db2.gz TYHOOHHRAZWLGZ-ZDUSSCGKSA-N 2 0 233.359 2.000 20 0 BDADRP CC[N@H+](CCCC[NH3+])Cc1cccnc1 ZINC001235724000 979136924 /nfs/dbraw/zinc/13/69/24/979136924.db2.gz GGYVXBCPMCXBEQ-UHFFFAOYSA-N 2 0 207.321 1.642 20 0 BDADRP CC[C@@H]1C[NH2+]CCN1Cc1cccc(C[NH3+])c1 ZINC001235776050 979149866 /nfs/dbraw/zinc/14/98/66/979149866.db2.gz YSOQMXZQRQFVEA-CQSZACIVSA-N 2 0 233.359 1.329 20 0 BDADRP C[NH2+][C@@H]1CCN(CCC[NH2+]C2CCCCC2)C1 ZINC001235828780 979162836 /nfs/dbraw/zinc/16/28/36/979162836.db2.gz HCKVTPLKXPHLIA-CQSZACIVSA-N 2 0 239.407 1.593 20 0 BDADRP CSc1ccc(CN(CC[NH3+])CC[NH3+])cc1 ZINC001235875366 979166641 /nfs/dbraw/zinc/16/66/41/979166641.db2.gz FSVCPUGSFCNJIC-UHFFFAOYSA-N 2 0 239.388 1.128 20 0 BDADRP C[NH2+]CCCN1CC[NH2+]C[C@@H]1Cc1ccccc1 ZINC001235848005 979166707 /nfs/dbraw/zinc/16/67/07/979166707.db2.gz PPKMPVCNDMBEIM-HNNXBMFYSA-N 2 0 247.386 1.112 20 0 BDADRP c1ccc([C@@H]2CN(C[C@@H]3CC[NH2+]C3)CC[NH2+]2)cc1 ZINC001235859830 979172910 /nfs/dbraw/zinc/17/29/10/979172910.db2.gz PNVGMRFWUQIVOO-HIFRSBDPSA-N 2 0 245.370 1.242 20 0 BDADRP CC(C)=CCC[C@H](C)CCN(CC[NH3+])CC[NH3+] ZINC001235874444 979174414 /nfs/dbraw/zinc/17/44/14/979174414.db2.gz JLPXGIDSRUCUBR-AWEZNQCLSA-N 2 0 241.423 1.978 20 0 BDADRP C[C@@H]1CN(C[C@@H]([NH3+])c2ccccc2)C[C@H](C)[NH2+]1 ZINC001235897469 979190918 /nfs/dbraw/zinc/19/09/18/979190918.db2.gz UUOKUUDVZJSOES-MBNYWOFBSA-N 2 0 233.359 1.369 20 0 BDADRP C[C@@H]1CN(Cc2ccc3c(c2)C[NH2+]C3)C[C@H](C)[NH2+]1 ZINC001235902022 979193364 /nfs/dbraw/zinc/19/33/64/979193364.db2.gz TZZFEJXEESOXFW-TXEJJXNPSA-N 2 0 245.370 1.472 20 0 BDADRP COC(=O)CC[C@H]1CC[N@H+](CCCC[NH3+])C1 ZINC001235934967 979203159 /nfs/dbraw/zinc/20/31/59/979203159.db2.gz QMVMQMNJEPTEHL-NSHDSACASA-N 2 0 228.336 1.000 20 0 BDADRP [NH3+][C@@H]1CCN(CC[C@@H]2CCCC[NH2+]2)CC1(F)F ZINC001235911972 979204507 /nfs/dbraw/zinc/20/45/07/979204507.db2.gz OPTSTKBIXOTDEN-WDEREUQCSA-N 2 0 247.333 1.187 20 0 BDADRP CC(C)N(CC[NH3+])CC[C@@H]1CCCC[NH2+]1 ZINC001235947568 979218523 /nfs/dbraw/zinc/21/85/23/979218523.db2.gz DCJJOTUIKSXSBM-LBPRGKRZSA-N 2 0 213.369 1.188 20 0 BDADRP [NH3+][C@@]12CC[C@H]1C[N@H+](CC1CC3(C1)CC[NH2+]CC3)C2 ZINC001235980586 979253244 /nfs/dbraw/zinc/25/32/44/979253244.db2.gz QUOGYAXOUXZQST-DZGCQCFKSA-N 2 0 249.402 1.189 20 0 BDADRP [NH3+]CCCC[NH+]1CC2(C1)C[C@@H](F)CS2 ZINC001235992833 979278895 /nfs/dbraw/zinc/27/88/95/979278895.db2.gz MSEBKWVLLOYZIL-SECBINFHSA-N 2 0 218.341 1.255 20 0 BDADRP CC(C)CCC[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235991457 979280860 /nfs/dbraw/zinc/28/08/60/979280860.db2.gz GAGADOWULGHESW-FUNVUKJBSA-N 2 0 226.364 1.328 20 0 BDADRP [NH3+]CCCC[NH+]1CC2(C1)C[C@H](F)CS2 ZINC001235992842 979281593 /nfs/dbraw/zinc/28/15/93/979281593.db2.gz MSEBKWVLLOYZIL-VIFPVBQESA-N 2 0 218.341 1.255 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CN(CC[C@@H]2CCC[NH2+]C2)C1 ZINC001236043972 979334572 /nfs/dbraw/zinc/33/45/72/979334572.db2.gz HHANUNQMWIRZMF-AGIUHOORSA-N 2 0 225.380 1.045 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC001236045507 979335486 /nfs/dbraw/zinc/33/54/86/979335486.db2.gz VJYGMCSGOVWKJY-UHFFFAOYSA-N 2 0 246.358 1.451 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CN(CC[C@H]2CCC[NH2+]C2)C1 ZINC001236043975 979335918 /nfs/dbraw/zinc/33/59/18/979335918.db2.gz HHANUNQMWIRZMF-UPJWGTAASA-N 2 0 225.380 1.045 20 0 BDADRP C(CN1C[C@H]2CC[C@@H](C1)[NH2+]C2)[C@H]1CCC[NH2+]C1 ZINC001236059803 979348973 /nfs/dbraw/zinc/34/89/73/979348973.db2.gz LHWBZNAYDCGTIS-RDBSUJKOSA-N 3 0 237.391 1.060 20 0 BDADRP C(CN1C[C@H]2CC[C@@H](C1)[NH2+]C2)[C@H]1CCCC[NH2+]1 ZINC001236059434 979349506 /nfs/dbraw/zinc/34/95/06/979349506.db2.gz HSNUXEAFINYKQA-MJBXVCDLSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@H]1CN(Cc2ccc3c(c2)CCN3)CCC[NH2+]1 ZINC001236100686 979388188 /nfs/dbraw/zinc/38/81/88/979388188.db2.gz MNHNEWGSFHAJPI-LBPRGKRZSA-N 2 0 245.370 1.838 20 0 BDADRP C[C@H]([NH3+])CN1CC[NH2+]C[C@H]1c1cccs1 ZINC001236116196 979393300 /nfs/dbraw/zinc/39/33/00/979393300.db2.gz WMBWBBGDNUMQAI-UWVGGRQHSA-N 2 0 225.361 1.042 20 0 BDADRP CC[NH+]1CCC(CN(C)C[C@@H]2CCC[NH2+]2)CC1 ZINC001236117030 979398216 /nfs/dbraw/zinc/39/82/16/979398216.db2.gz YLZKRKNNRFEMNJ-AWEZNQCLSA-N 2 0 239.407 1.402 20 0 BDADRP CCN(CC[NH2+]C)CC[C@H]1CCCC[NH2+]1 ZINC001236143689 979409611 /nfs/dbraw/zinc/40/96/11/979409611.db2.gz MJYTVCCSKFJMOD-GFCCVEGCSA-N 2 0 213.369 1.060 20 0 BDADRP CCCc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001206476338 979410022 /nfs/dbraw/zinc/41/00/22/979410022.db2.gz UUWQHRZNWPKPNU-LSDHHAIUSA-N 2 0 248.370 1.391 20 0 BDADRP CCN(CC[NH2+]C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC001236145964 979411720 /nfs/dbraw/zinc/41/17/20/979411720.db2.gz RUAVTURFERGJEE-UHFFFAOYSA-N 2 0 247.386 1.374 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCc2ncc(Cl)cc2C1 ZINC001236158519 979413019 /nfs/dbraw/zinc/41/30/19/979413019.db2.gz QJFXDJXUJUOWAX-UHFFFAOYSA-N 2 0 239.750 1.832 20 0 BDADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)CCCCCC[NH3+] ZINC001341466171 979418611 /nfs/dbraw/zinc/41/86/11/979418611.db2.gz NDRMVTMOFBVOEW-NSHDSACASA-N 2 0 241.379 1.010 20 0 BDADRP CC[C@H]([NH2+]C)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC001341500769 979437710 /nfs/dbraw/zinc/43/77/10/979437710.db2.gz OBYIKAGWLQTJQI-NSHDSACASA-N 2 0 243.395 1.031 20 0 BDADRP CC[NH+]1CCC(C[NH+]2CC3(C2)CCOC3)CC1 ZINC001182115849 979448828 /nfs/dbraw/zinc/44/88/28/979448828.db2.gz UIAFDPNUIGLBOF-UHFFFAOYSA-N 2 0 238.375 1.441 20 0 BDADRP C[N@H+](CCC1CC[NH2+]CC1)[C@H]1CCCC[C@H]1N ZINC001236214207 979452199 /nfs/dbraw/zinc/45/21/99/979452199.db2.gz RHJBCBZXQNYHAU-KGLIPLIRSA-N 2 0 239.407 1.578 20 0 BDADRP CN(Cc1cccc(C[NH3+])c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236213675 979452915 /nfs/dbraw/zinc/45/29/15/979452915.db2.gz CYKDTPFHEGWXQO-CABCVRRESA-N 2 0 247.386 1.847 20 0 BDADRP [NH3+]CCCCCN1CCC[C@H]([NH2+]C2CC2)C1 ZINC001236216053 979454002 /nfs/dbraw/zinc/45/40/02/979454002.db2.gz HJTLTQJTSSETDE-ZDUSSCGKSA-N 2 0 225.380 1.332 20 0 BDADRP NCC[N@H+](Cc1ccccc1)C1CCC([NH3+])CC1 ZINC001236227510 979458961 /nfs/dbraw/zinc/45/89/61/979458961.db2.gz FOJYMWLMGMZUES-UHFFFAOYSA-N 2 0 247.386 1.717 20 0 BDADRP Cc1cccc(CCN2CCC[C@@H]2C[NH3+])c1 ZINC001236244483 979462224 /nfs/dbraw/zinc/46/22/24/979462224.db2.gz KWUFUUFTFIRESK-CQSZACIVSA-N 2 0 218.344 1.961 20 0 BDADRP CC1(C)NC[C@@H](C[N@H+](CC2CC2)C2CC2)O1 ZINC001236254172 979471953 /nfs/dbraw/zinc/47/19/53/979471953.db2.gz VMZCYBGELDBJGL-LBPRGKRZSA-N 2 0 224.348 1.585 20 0 BDADRP CC(C)([NH3+])CCNC(=O)c1ccc(CC[NH3+])cc1 ZINC001341591110 979482263 /nfs/dbraw/zinc/48/22/63/979482263.db2.gz BDOKFSAOCKSIIW-UHFFFAOYSA-N 2 0 249.358 1.045 20 0 BDADRP CC[NH2+][C@@H](C)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC001341607420 979488796 /nfs/dbraw/zinc/48/87/96/979488796.db2.gz KPMDFKHPXQXINT-JTQLQIEISA-N 2 0 249.358 1.817 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)N[C@@H](C)CCCC[NH3+] ZINC001341677107 979522856 /nfs/dbraw/zinc/52/28/56/979522856.db2.gz YQESGOKCKOZZPS-RYUDHWBXSA-N 2 0 243.395 1.384 20 0 BDADRP C[C@H]1C[C@@H]1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314181 979523394 /nfs/dbraw/zinc/52/33/94/979523394.db2.gz JOEQXDDKJFUGTH-WUHRBBMRSA-N 2 0 208.349 1.574 20 0 BDADRP C1=CO[C@H](C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CC1 ZINC001236314217 979525201 /nfs/dbraw/zinc/52/52/01/979525201.db2.gz LMDOSQASGXBPSV-MJBXVCDLSA-N 2 0 236.359 1.611 20 0 BDADRP [NH3+]CCCCC[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236315107 979525315 /nfs/dbraw/zinc/52/53/15/979525315.db2.gz VXGHBFZGJNLDRX-BETUJISGSA-N 3 0 225.380 1.047 20 0 BDADRP CC(C)[N@H+](CCCC[NH3+])CCCCCO ZINC001236316627 979528322 /nfs/dbraw/zinc/52/83/22/979528322.db2.gz TTZDDRGGQMUJLP-UHFFFAOYSA-N 2 0 216.369 1.598 20 0 BDADRP CCCN(CC1(F)CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC001236322634 979538324 /nfs/dbraw/zinc/53/83/24/979538324.db2.gz RHGVCXMHDDNFDT-GFCCVEGCSA-N 2 0 243.370 1.152 20 0 BDADRP CCC[NH+]1C[C@@H]2C[NH+](CCCCCO)C[C@H]2C1 ZINC001236323214 979539126 /nfs/dbraw/zinc/53/91/26/979539126.db2.gz XSTMHBIIKQVQSX-ZIAGYGMSSA-N 2 0 240.391 1.423 20 0 BDADRP C/C=C(\NC=[NH2+])c1cccc2c1CC[NH2+]C2 ZINC001236345517 979545260 /nfs/dbraw/zinc/54/52/60/979545260.db2.gz ZABMTPVBBHHKHB-SILLCRNTSA-N 2 0 215.300 1.890 20 0 BDADRP [NH3+]Cc1ncc(-c2cccc3c2CC[NH2+]C3)cn1 ZINC001236351127 979550666 /nfs/dbraw/zinc/55/06/66/979550666.db2.gz CEIAYFIZTZYRDY-UHFFFAOYSA-N 2 0 240.310 1.248 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCCN1Cc1ccc(C[NH3+])cc1 ZINC001236416934 979590601 /nfs/dbraw/zinc/59/06/01/979590601.db2.gz AQPZLEMLINMMAV-BXUZGUMPSA-N 2 0 233.359 1.457 20 0 BDADRP C[C@H]1[C@H]([NH3+])CCCN1CC1(C)CC[NH2+]CC1 ZINC001236416331 979591609 /nfs/dbraw/zinc/59/16/09/979591609.db2.gz SUTBFJIHUSZERL-NWDGAFQWSA-N 2 0 225.380 1.188 20 0 BDADRP CC(C)(C)C[N@H+](CCCCO)C1CC[NH2+]CC1 ZINC001236455497 979600102 /nfs/dbraw/zinc/60/01/02/979600102.db2.gz VGVKPDXUHWTZMP-UHFFFAOYSA-N 2 0 242.407 1.859 20 0 BDADRP CC(C)C[N@H+](CCCC[NH3+])[C@@H]1CCCNC1 ZINC001236473532 979604774 /nfs/dbraw/zinc/60/47/74/979604774.db2.gz KSSDNULLURZCLO-CYBMUJFWSA-N 2 0 227.396 1.435 20 0 BDADRP [NH3+][C@H]1CC[C@H]([N@H+](CCO)C2CCCCC2)CC1 ZINC001236565512 979639773 /nfs/dbraw/zinc/63/97/73/979639773.db2.gz IQLMWRHTGJZODN-MQMHXKEQSA-N 2 0 240.391 1.883 20 0 BDADRP C[C@H]1CN(CCC2CC[NH+](C)CC2)C[C@H](C)[NH2+]1 ZINC001236576133 979646937 /nfs/dbraw/zinc/64/69/37/979646937.db2.gz BUDMKOWUIPKQSD-STQMWFEESA-N 2 0 239.407 1.401 20 0 BDADRP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cn[nH]c2)C1 ZINC001206542017 979659166 /nfs/dbraw/zinc/65/91/66/979659166.db2.gz PEZKBLIAMZVXAN-LBPRGKRZSA-N 2 0 222.336 1.361 20 0 BDADRP Cc1cnccc1O[C@@H]1CC[N@H+](CCCC[NH3+])C1 ZINC001236665900 979688389 /nfs/dbraw/zinc/68/83/89/979688389.db2.gz XLVSROVMCUGPII-CYBMUJFWSA-N 3 0 249.358 1.582 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@@H]([NH3+])CC(C)C ZINC001342222672 979718681 /nfs/dbraw/zinc/71/86/81/979718681.db2.gz YODJPGYYWSJZDV-SDDRHHMPSA-N 2 0 241.379 1.007 20 0 BDADRP CC1(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)COC1 ZINC001205254860 979728336 /nfs/dbraw/zinc/72/83/36/979728336.db2.gz CQHCQOOEZCWFPC-GFCCVEGCSA-N 2 0 212.337 1.226 20 0 BDADRP C[C@@]1([NH3+])CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC001205256181 979737538 /nfs/dbraw/zinc/73/75/38/979737538.db2.gz NSOKSFMDTPGQBY-VXGBXAGGSA-N 2 0 212.337 1.369 20 0 BDADRP CCCN(C[C@@H]1CC[NH2+]C1)C[C@@H]1CCC[NH2+]1 ZINC001236832681 979748194 /nfs/dbraw/zinc/74/81/94/979748194.db2.gz WQXIMRMHKIGPDM-OLZOCXBDSA-N 2 0 225.380 1.060 20 0 BDADRP CC[C@H]([NH3+])CN(C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC001236883381 979776026 /nfs/dbraw/zinc/77/60/26/979776026.db2.gz DOAQRJTZPLBCBV-HNNXBMFYSA-N 2 0 247.386 1.501 20 0 BDADRP [NH3+]CCCCCCC(=O)Nc1ccccc1C[NH3+] ZINC001342359168 979777761 /nfs/dbraw/zinc/77/77/61/979777761.db2.gz QGTFOLFZHRWFRM-UHFFFAOYSA-N 2 0 249.358 1.993 20 0 BDADRP C[C@@]1([NH3+])CCC[N@H+](CC23CC([NH3+])(C2)C3)CC1 ZINC001205257917 979780841 /nfs/dbraw/zinc/78/08/41/979780841.db2.gz YOHVIFHFRAYDQZ-PNESKVBLSA-N 3 0 223.364 1.071 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@H+](CCCCCO)C1 ZINC001237060246 979812068 /nfs/dbraw/zinc/81/20/68/979812068.db2.gz YUNJFEQUNLITGO-LBPRGKRZSA-N 2 0 214.353 1.210 20 0 BDADRP CC[C@@H]([NH3+])CN1CC[NH2+]C2=CCCC[C@@H]21 ZINC001237218169 979848003 /nfs/dbraw/zinc/84/80/03/979848003.db2.gz FWOIWOCVZSOVOF-PWSUYJOCSA-N 2 0 209.337 1.065 20 0 BDADRP C1=C2NCC[N@@H+](CC[C@@H]3CCC[NH2+]C3)[C@@H]2CCC1 ZINC001237220993 979852024 /nfs/dbraw/zinc/85/20/24/979852024.db2.gz URQAAOVYKSKXFA-DZGCQCFKSA-N 2 0 249.402 1.718 20 0 BDADRP [NH3+]C12CC(CCN3CC[C@H]4[NH2+]CCC[C@H]4C3)(C1)C2 ZINC001237375212 979878466 /nfs/dbraw/zinc/87/84/66/979878466.db2.gz LLPQJHRUFKJMAP-ZUJMUWTESA-N 2 0 249.402 1.332 20 0 BDADRP C([C@H]1CCCC[NH2+]1)N1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237376123 979879010 /nfs/dbraw/zinc/87/90/10/979879010.db2.gz PQFZUBXBYGRVJC-BFHYXJOUSA-N 2 0 237.391 1.202 20 0 BDADRP C1=CO[C@H](C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC001237379379 979879769 /nfs/dbraw/zinc/87/97/69/979879769.db2.gz BBTDXYFEZQFWMF-IHRRRGAJSA-N 2 0 236.359 1.753 20 0 BDADRP [NH3+][C@@H](CCC(=O)NCC1([NH3+])CC1)c1ccccc1 ZINC001342814844 979905275 /nfs/dbraw/zinc/90/52/75/979905275.db2.gz LFFWXRSWFJNOLQ-LBPRGKRZSA-N 2 0 247.342 1.074 20 0 BDADRP CSC[C@H](CCO)[NH2+]CC1CC[NH+](C)CC1 ZINC001342961578 979960257 /nfs/dbraw/zinc/96/02/57/979960257.db2.gz TZOBZLGIXWPFEZ-LBPRGKRZSA-N 2 0 246.420 1.032 20 0 BDADRP C[NH2+]Cc1cccc(CCC[NH+](C)C)c1 ZINC001250163886 980125403 /nfs/dbraw/zinc/12/54/03/980125403.db2.gz AJYSXSILNGUUKQ-UHFFFAOYSA-N 2 0 206.333 1.900 20 0 BDADRP CC[C@@H]([NH2+]C)C(=O)N[C@@H](C)CC[NH+](CC)CC ZINC001343500444 980131289 /nfs/dbraw/zinc/13/12/89/980131289.db2.gz IYDWYWMSQNYKRE-NWDGAFQWSA-N 2 0 243.395 1.221 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2cccc(C[NH3+])c2)C[C@@H]1C[NH3+] ZINC001205317985 980152636 /nfs/dbraw/zinc/15/26/36/980152636.db2.gz RKMOUOKOQSJBOR-DOMZBBRYSA-N 3 0 247.386 1.562 20 0 BDADRP Cc1cc(C2=CCC[NH2+]CC2)nc2c1C[NH2+]CC2 ZINC001238933273 980371268 /nfs/dbraw/zinc/37/12/68/980371268.db2.gz IRGHCZLNAQPIJR-UHFFFAOYSA-N 2 0 243.354 1.803 20 0 BDADRP Nc1[nH]c2ccc(C3=CCC[NH2+]CC3)cc2[nH+]1 ZINC001238946555 980386752 /nfs/dbraw/zinc/38/67/52/980386752.db2.gz WYTUWGVRJQHDTQ-UHFFFAOYSA-N 2 0 228.299 1.912 20 0 BDADRP C[C@H]([NH3+])CN1CCCc2cc(CC[NH3+])ccc21 ZINC001345138284 980559312 /nfs/dbraw/zinc/55/93/12/980559312.db2.gz WVGZGMUOUJMBLZ-NSHDSACASA-N 2 0 233.359 1.288 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@@H](COC)C1CCCC1 ZINC001345482163 980617362 /nfs/dbraw/zinc/61/73/62/980617362.db2.gz KSPPGHHKVNMBKQ-YPMHNXCESA-N 2 0 228.380 1.779 20 0 BDADRP C[NH2+][C@H](C)CCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC001345482574 980618588 /nfs/dbraw/zinc/61/85/88/980618588.db2.gz NOZAVDPZCKSZHK-WOPDTQHZSA-N 2 0 213.369 1.234 20 0 BDADRP CC[C@@H](NCC[C@H](C)[NH2+]C)[C@@H]1CCC[NH2+]1 ZINC001345481865 980619119 /nfs/dbraw/zinc/61/91/19/980619119.db2.gz GWLYMPFOQDHGGH-TUAOUCFPSA-N 2 0 213.369 1.105 20 0 BDADRP C[NH2+][C@H](C)CCNC(=O)[C@H]([NH3+])c1ccc(C)cc1 ZINC001345994572 980724601 /nfs/dbraw/zinc/72/46/01/980724601.db2.gz ZDRKYYCGLPHCHO-DGCLKSJQSA-N 2 0 249.358 1.109 20 0 BDADRP CN(C)c1cc[nH+]c(-c2cncc(C[NH3+])c2)c1 ZINC001239787363 980921586 /nfs/dbraw/zinc/92/15/86/980921586.db2.gz VZLUJJKWOMXHMG-UHFFFAOYSA-N 2 0 228.299 1.668 20 0 BDADRP Cc1c[nH+]c(-c2cncc(C[NH3+])c2)cc1N ZINC001239791475 980931976 /nfs/dbraw/zinc/93/19/76/980931976.db2.gz OZJNOOKDIJEMMX-UHFFFAOYSA-N 2 0 214.272 1.493 20 0 BDADRP [NH3+]Cc1cncc(-c2ccc3c(c2)CC[NH2+]C3)c1 ZINC001239797569 980935252 /nfs/dbraw/zinc/93/52/52/980935252.db2.gz SMGRZKDHLDYSMA-UHFFFAOYSA-N 2 0 239.322 1.853 20 0 BDADRP [NH3+]Cc1cncc(-c2cccc3c2C[NH2+]C3)c1 ZINC001239798267 980938504 /nfs/dbraw/zinc/93/85/04/980938504.db2.gz MIYWFFKIQMQXEL-UHFFFAOYSA-N 2 0 225.295 1.811 20 0 BDADRP C[C@H]1CC[N@H+](Cc2nccn2C)CC[C@@H]1C[NH3+] ZINC001205600439 981155013 /nfs/dbraw/zinc/15/50/13/981155013.db2.gz BSOWVDRUGCBFMA-NWDGAFQWSA-N 2 0 236.363 1.227 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2cnn(C)c2)CC[C@H]1C[NH3+] ZINC001205603544 981175339 /nfs/dbraw/zinc/17/53/39/981175339.db2.gz PZVIIMAQOTVHTH-YPMHNXCESA-N 2 0 236.363 1.227 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)NC(=O)[C@H](C)[NH+](C)C ZINC001348328313 981338098 /nfs/dbraw/zinc/33/80/98/981338098.db2.gz JLJFQBHQUMJIBE-NEPJUHHUSA-N 2 0 243.395 1.173 20 0 BDADRP C[NH+](C)/C=C/c1ccncc1C1=CC[NH2+]CC1 ZINC001240469815 981408107 /nfs/dbraw/zinc/40/81/07/981408107.db2.gz FGHCWUJABVUTHF-UXBLZVDNSA-N 2 0 229.327 1.991 20 0 BDADRP c1cc(C2=CCC[NH2+]C2)cc(N2CC[NH2+]CC2)c1 ZINC001240659693 981570292 /nfs/dbraw/zinc/57/02/92/981570292.db2.gz XWDZSMNISKYBNL-UHFFFAOYSA-N 2 0 243.354 1.473 20 0 BDADRP O[C@H]1C[NH2+]CC[C@@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC001580879763 981669180 /nfs/dbraw/zinc/66/91/80/981669180.db2.gz FBHHYIIDJCXKFL-AJNGGQMLSA-N 2 0 246.354 1.103 20 0 BDADRP O[C@@]1(C[NH2+][C@@H]2CCC23CCCC3)CC[NH2+]C1 ZINC001580880741 981681014 /nfs/dbraw/zinc/68/10/14/981681014.db2.gz XDTGQRKXWSHPDS-YPMHNXCESA-N 2 0 224.348 1.023 20 0 BDADRP OC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)C1CCCCC1 ZINC001580881851 981688021 /nfs/dbraw/zinc/68/80/21/981688021.db2.gz LYAZHXCCSAZTDD-QRMWWUJWSA-N 2 0 238.375 1.269 20 0 BDADRP O[C@@H]1CC[C@H]2CC[N@H+](CCC3CC[NH2+]CC3)[C@@H]12 ZINC001580884628 981699954 /nfs/dbraw/zinc/69/99/54/981699954.db2.gz JOKBKNDWOHCIJG-BFHYXJOUSA-N 2 0 238.375 1.221 20 0 BDADRP O[C@H]1C[C@H]([NH2+]CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001580885804 981711605 /nfs/dbraw/zinc/71/16/05/981711605.db2.gz NMIPTHVKPXRGOS-FKPXHPSNSA-N 2 0 224.348 1.020 20 0 BDADRP c1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc2nonc12 ZINC001580892169 981725287 /nfs/dbraw/zinc/72/52/87/981725287.db2.gz PKGTYHMULRQJMT-LLVKDONJSA-N 2 0 246.314 1.312 20 0 BDADRP c1ccc([C@H]2C[C@H]([NH2+]CC3C[NH2+]C3)CCO2)nc1 ZINC001580895607 981726311 /nfs/dbraw/zinc/72/63/11/981726311.db2.gz OKGPSCLAFKQOSL-TZMCWYRMSA-N 2 0 247.342 1.111 20 0 BDADRP CC(C)(C)CC[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205662922 981751689 /nfs/dbraw/zinc/75/16/89/981751689.db2.gz FRPLDZMMXZKTIR-CYBMUJFWSA-N 2 0 228.380 1.598 20 0 BDADRP C(c1ccc2c(n1)C[NH2+]CC2)=C1CC[NH2+]CC1 ZINC001240874647 981919041 /nfs/dbraw/zinc/91/90/41/981919041.db2.gz WZAIZRZBIPTFNU-UHFFFAOYSA-N 2 0 229.327 1.494 20 0 BDADRP [NH3+]CCc1cccc(C=C2CC[NH2+]CC2)c1 ZINC001240878859 981931051 /nfs/dbraw/zinc/93/10/51/981931051.db2.gz RFYMLJWQVSKXOB-UHFFFAOYSA-N 2 0 216.328 1.955 20 0 BDADRP C[C@H]([NH3+])CN1c2ccccc2[C@@H]([NH3+])C1(C)C ZINC001351799837 982392197 /nfs/dbraw/zinc/39/21/97/982392197.db2.gz LNDQQWOSYCLSIB-JOYOIKCWSA-N 2 0 219.332 1.632 20 0 BDADRP [NH3+]CCCCC[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205763253 982415616 /nfs/dbraw/zinc/41/56/16/982415616.db2.gz OYWNWYHYUMTBNA-SNVBAGLBSA-N 3 0 235.322 1.031 20 0 BDADRP C[NH+](C)C1CN(c2cc[nH+]cc2C2CC2)C1 ZINC001352117464 982479123 /nfs/dbraw/zinc/47/91/23/982479123.db2.gz VYPWZUCUOLZHBZ-UHFFFAOYSA-N 2 0 217.316 1.709 20 0 BDADRP COC(C)(C)CC[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001196783003 982490917 /nfs/dbraw/zinc/49/09/17/982490917.db2.gz WKNMRRNLRIUTOJ-OLZOCXBDSA-N 2 0 240.391 1.685 20 0 BDADRP C[N@H+](CCCCO)CCC[NH+]1CCCC1 ZINC000337268525 982555088 /nfs/dbraw/zinc/55/50/88/982555088.db2.gz KNCMTLATGJXJFX-UHFFFAOYSA-N 2 0 214.353 1.177 20 0 BDADRP C[C@@H]1CC[C@H](C[NH3+])N(C[C@@H]2CCC[NH2+]C2)C1 ZINC001205805072 982565435 /nfs/dbraw/zinc/56/54/35/982565435.db2.gz PYVREHPSNUHMMW-JHJVBQTASA-N 2 0 225.380 1.045 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)C1 ZINC001352788915 982581600 /nfs/dbraw/zinc/58/16/00/982581600.db2.gz RLCZNEVTNURIFV-RVMXOQNASA-N 2 0 224.348 1.225 20 0 BDADRP Cc1cnc(C2=CCC[N@@H+](C)C2)nc1C1C[NH2+]C1 ZINC001241568594 982817733 /nfs/dbraw/zinc/81/77/33/982817733.db2.gz JJUJPESTMFNXBR-UHFFFAOYSA-N 2 0 244.342 1.191 20 0 BDADRP C[C@@H](CC[NH3+])NC(=O)[C@@H]([NH3+])C1CCCCCC1 ZINC001353602223 982915487 /nfs/dbraw/zinc/91/54/87/982915487.db2.gz JOQHRBGKJOXZQU-JQWIXIFHSA-N 2 0 241.379 1.138 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001353634892 982944463 /nfs/dbraw/zinc/94/44/63/982944463.db2.gz ULBUSLOHWNYCIO-SDDRHHMPSA-N 2 0 241.379 1.007 20 0 BDADRP CCC[C@@H](CCO)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC000716954909 983097106 /nfs/dbraw/zinc/09/71/06/983097106.db2.gz NOPLWICKAJZYGY-STQMWFEESA-N 2 0 228.380 1.611 20 0 BDADRP CCC(CC)(C[NH3+])C(=O)NCCC[NH2+]C1CC1 ZINC001353966344 983102631 /nfs/dbraw/zinc/10/26/31/983102631.db2.gz HEHMAJNMEKMIRG-UHFFFAOYSA-N 2 0 241.379 1.010 20 0 BDADRP CC[C@H](C)C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001201501739 983271316 /nfs/dbraw/zinc/27/13/16/983271316.db2.gz AOTSPEFTFSOKSL-XQQFMLRXSA-N 2 0 210.365 1.916 20 0 BDADRP CC(C)CC[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001201614913 983376322 /nfs/dbraw/zinc/37/63/22/983376322.db2.gz ORLJTPLSKXRSPQ-OLZOCXBDSA-N 2 0 210.365 1.916 20 0 BDADRP CCCC[C@H](O)C[NH2+]CCCCC[NH+](C)C ZINC001252107127 983670050 /nfs/dbraw/zinc/67/00/50/983670050.db2.gz FKSCFAHPECUUFS-ZDUSSCGKSA-N 2 0 230.396 1.859 20 0 BDADRP CC[NH+](CC)[C@H]1CC[C@@H]([NH2+]CC(C)(C)O)CC1 ZINC001252371477 983749832 /nfs/dbraw/zinc/74/98/32/983749832.db2.gz RAKCLCLOMIKPKB-BETUJISGSA-N 2 0 242.407 2.000 20 0 BDADRP C[C@@H]([NH2+]C1CC1)C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001358059648 983821114 /nfs/dbraw/zinc/82/11/14/983821114.db2.gz LWFUCTLRFHLYOX-SECBINFHSA-N 2 0 245.326 1.369 20 0 BDADRP CC(C)[NH2+]CCC(=O)Nc1cccc2c1C[NH2+]C2 ZINC001358059595 983822368 /nfs/dbraw/zinc/82/23/68/983822368.db2.gz JXLUZORRQBPNPV-UHFFFAOYSA-N 2 0 247.342 1.616 20 0 BDADRP CCC[N@H+]1C[C@@H]2C[NH+](C[C@@H]3CCOC3)C[C@@H]2C1 ZINC001202530996 983876240 /nfs/dbraw/zinc/87/62/40/983876240.db2.gz YGJHOUIBSANXSD-MELADBBJSA-N 2 0 238.375 1.297 20 0 BDADRP C/C=C(\NC=[NH2+])c1ccc2c(c1)C[NH2+]C2 ZINC001242673483 984040870 /nfs/dbraw/zinc/04/08/70/984040870.db2.gz DEBXVCFXDUQQBL-OIXVIMQBSA-N 2 0 201.273 1.847 20 0 BDADRP CC[NH+]1C[C@@H]2C[NH+](CC3CCOCC3)C[C@H]2C1 ZINC001202610342 984125235 /nfs/dbraw/zinc/12/52/35/984125235.db2.gz YLGHBTRIRYDUTI-ZIAGYGMSSA-N 2 0 238.375 1.297 20 0 BDADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]CC1(C)CC1 ZINC001253384633 984140306 /nfs/dbraw/zinc/14/03/06/984140306.db2.gz DAENNEOUHONVPS-JTQLQIEISA-N 2 0 214.353 1.125 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001576271298 984165516 /nfs/dbraw/zinc/16/55/16/984165516.db2.gz DOAZKCGTXYNURJ-WSOGJNRSSA-N 2 0 240.391 1.656 20 0 BDADRP C[C@@]1(C[NH2+][C@]23CCC[C@H]2OCC3)CC[NH2+]C1 ZINC001576526069 984172356 /nfs/dbraw/zinc/17/23/56/984172356.db2.gz MTIBUEVCZMHIAQ-UPJWGTAASA-N 2 0 224.348 1.287 20 0 BDADRP C[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC001576680963 984178763 /nfs/dbraw/zinc/17/87/63/984178763.db2.gz XMSPSHMOLRLYLI-FVCCEPFGSA-N 2 0 226.364 1.125 20 0 BDADRP C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC001576680962 984179692 /nfs/dbraw/zinc/17/96/92/984179692.db2.gz XMSPSHMOLRLYLI-FDYHWXHSSA-N 2 0 226.364 1.125 20 0 BDADRP CCC(CC)(C[NH3+])C[NH2+][C@@H](CO)CC(F)F ZINC001577052086 984186237 /nfs/dbraw/zinc/18/62/37/984186237.db2.gz IAGSEWOLMIXZOV-SECBINFHSA-N 2 0 238.322 1.357 20 0 BDADRP CCC[C@H](C[NH2+][C@@](C)(C[NH3+])C(C)C)OC ZINC001577357752 984192173 /nfs/dbraw/zinc/19/21/73/984192173.db2.gz IXBPCSNNDBEKDG-NEPJUHHUSA-N 2 0 216.369 1.765 20 0 BDADRP CCCC[C@H](COC)[NH2+][C@H]1C[C@@H]([NH3+])C1 ZINC001577400927 984195115 /nfs/dbraw/zinc/19/51/15/984195115.db2.gz PJUPVGKDRPPULV-MXWKQRLJSA-N 2 0 200.326 1.271 20 0 BDADRP CCOC(=O)[C@H](C)[C@@H](C)[NH2+]C[C@@H](C[NH3+])C(C)C ZINC001577908512 984201514 /nfs/dbraw/zinc/20/15/14/984201514.db2.gz KNOYAHMRNJVEPF-IJLUTSLNSA-N 2 0 244.379 1.395 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]C2CC(C[NH3+])C2)[C@@H]1SC ZINC001578158601 984205212 /nfs/dbraw/zinc/20/52/12/984205212.db2.gz JBJDXQDADDEVPC-IVVCIIHESA-N 2 0 244.404 1.222 20 0 BDADRP CO[C@H](C[NH2+]CC[C@H](C)[NH3+])CC(C)C ZINC001578913042 984232426 /nfs/dbraw/zinc/23/24/26/984232426.db2.gz QIBRTAMUEVCXTL-QWRGUYRKSA-N 2 0 202.342 1.374 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+][C@@H]1C[C@](C)(OC)C1(C)C ZINC001579001573 984244851 /nfs/dbraw/zinc/24/48/51/984244851.db2.gz JIPLAFKQQHZILB-LOWVWBTDSA-N 2 0 244.379 1.143 20 0 BDADRP C[NH2+]Cc1cccc(-c2cc(C[NH3+])ncn2)c1 ZINC001242995154 984358963 /nfs/dbraw/zinc/35/89/63/984358963.db2.gz CANPBBADQGZMSC-UHFFFAOYSA-N 2 0 228.299 1.322 20 0 BDADRP [NH3+][C@H]1CC12CC([NH2+]CC[C@@H]1CCCCO1)C2 ZINC001580167163 984406675 /nfs/dbraw/zinc/40/66/75/984406675.db2.gz UQBGKQNTAIMPME-ZFQMDJOTSA-N 2 0 224.348 1.415 20 0 BDADRP [NH3+][C@H]1CC12CC([NH2+]CC[C@H]1CCCCO1)C2 ZINC001580167161 984409311 /nfs/dbraw/zinc/40/93/11/984409311.db2.gz UQBGKQNTAIMPME-QBHFIFKDSA-N 2 0 224.348 1.415 20 0 BDADRP CC[NH2+][C@@]12CC[C@@]([NH2+]Cc3cn[nH]c3)(C1)CCC2 ZINC001275085640 984477573 /nfs/dbraw/zinc/47/75/73/984477573.db2.gz ZJKNUAXJLMYVED-UONOGXRCSA-N 2 0 248.374 1.954 20 0 BDADRP CCC[NH+]1CCC2(CN(CC[NH+](C)C)C2)CC1 ZINC001275107596 984491001 /nfs/dbraw/zinc/49/10/01/984491001.db2.gz CSVOKLJOXLSLCP-UHFFFAOYSA-N 2 0 239.407 1.356 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+]Cc2cnn(CCF)c2)C1 ZINC001580389152 984512501 /nfs/dbraw/zinc/51/25/01/984512501.db2.gz AAPFRUISWPIKEE-CMPLNLGQSA-N 2 0 240.326 1.070 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]C2CCN(c3ccccn3)CC2)C1 ZINC001580430517 984537674 /nfs/dbraw/zinc/53/76/74/984537674.db2.gz POYGAELGGYSAPW-AULYBMBSSA-N 2 0 246.358 1.130 20 0 BDADRP [NH3+][C@H]1CCN(Cc2ccc(C3=CC[NH2+]C3)cc2)C1 ZINC001243112161 984579478 /nfs/dbraw/zinc/57/94/78/984579478.db2.gz VBLHRCMWCQBLPF-HNNXBMFYSA-N 2 0 243.354 1.206 20 0 BDADRP C[C@H]1C[C@H](N(CC[NH3+])CC[NH3+])C[C@@H](C)C1 ZINC000719350919 984632383 /nfs/dbraw/zinc/63/23/83/984632383.db2.gz XTPOARWFWSUSSN-GDNZZTSVSA-N 2 0 213.369 1.031 20 0 BDADRP CC[N@H+](C[C@@H]1COC(C)(C)O1)C1CC[NH2+]CC1 ZINC001577711035 984654971 /nfs/dbraw/zinc/65/49/71/984654971.db2.gz NNTIQRZWNBADNT-GFCCVEGCSA-N 2 0 242.363 1.212 20 0 BDADRP CCN(CCC[NH+](C)C)C(=O)CCCC[NH2+]C ZINC000719700543 984775888 /nfs/dbraw/zinc/77/58/88/984775888.db2.gz MHHQIWSNSPLSQC-UHFFFAOYSA-N 2 0 243.395 1.176 20 0 BDADRP CCOC(=O)C1=CC[C@H]([NH2+]CC(C)(C)C[NH3+])C1 ZINC001577932366 984822189 /nfs/dbraw/zinc/82/21/89/984822189.db2.gz OKDGUDXUNOQIFN-NSHDSACASA-N 2 0 240.347 1.213 20 0 BDADRP CCOC(=O)CC[N@H+](CCC[NH2+]C)CC1CC1 ZINC001577948436 984829708 /nfs/dbraw/zinc/82/97/08/984829708.db2.gz BTOUOICRDJRBNC-UHFFFAOYSA-N 2 0 242.363 1.261 20 0 BDADRP CCOC1CC([N@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001578087955 984844573 /nfs/dbraw/zinc/84/45/73/984844573.db2.gz WTWIEHXZTHXPEZ-KBHBFKLGSA-N 2 0 240.391 1.874 20 0 BDADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCC[NH+](C)C)C1 ZINC001257024794 984846866 /nfs/dbraw/zinc/84/68/66/984846866.db2.gz PGNHNFSSNLIHPV-VXGBXAGGSA-N 2 0 242.363 1.260 20 0 BDADRP CCOCCO[C@H]1CC[N@H+](CC(C)(C)C[NH3+])C1 ZINC001578119975 984851528 /nfs/dbraw/zinc/85/15/28/984851528.db2.gz OJDPMZSFCMFIMT-LBPRGKRZSA-N 2 0 244.379 1.099 20 0 BDADRP CCC[C@@H](CC)N(CC[NH+](C)C)CC[NH+](C)C ZINC001257262590 984861217 /nfs/dbraw/zinc/86/12/17/984861217.db2.gz CRUVPQATRVGFHD-CQSZACIVSA-N 2 0 243.439 1.990 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+]C2CC3(C[C@@H]3[NH3+])C2)C1 ZINC001578160773 984863802 /nfs/dbraw/zinc/86/38/02/984863802.db2.gz CUIWJVCLBZIUEV-RJXMVFQASA-N 2 0 210.321 1.023 20 0 BDADRP CCO[C@@]1(C)C[C@H]1[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC001578160824 984863839 /nfs/dbraw/zinc/86/38/39/984863839.db2.gz FBTJODMNPGHGCV-KXNHARMFSA-N 2 0 212.337 1.413 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+]C2CC3(C[C@H]3[NH3+])C2)C1 ZINC001578160771 984865180 /nfs/dbraw/zinc/86/51/80/984865180.db2.gz CUIWJVCLBZIUEV-GYOGACSVSA-N 2 0 210.321 1.023 20 0 BDADRP CC[C@H](O)C[NH+]1CCC2(CCC[C@@H]2C[NH3+])CC1 ZINC001578234186 984886937 /nfs/dbraw/zinc/88/69/37/984886937.db2.gz NBSNIBKPPFJDRY-OLZOCXBDSA-N 2 0 240.391 1.598 20 0 BDADRP CC[C@H]1[NH2+]CC[C@@H]1[NH2+][C@@H]1CCOC[C@@H]1C ZINC001578241686 984896119 /nfs/dbraw/zinc/89/61/19/984896119.db2.gz IGKBNWVCIHCBAX-QCNOEVLYSA-N 2 0 212.337 1.142 20 0 BDADRP CCc1ncc(C[NH2+]C2CC3(CC([NH3+])C3)C2)cn1 ZINC001578296770 984961895 /nfs/dbraw/zinc/96/18/95/984961895.db2.gz DUQUNUVGSWNFGA-UHFFFAOYSA-N 2 0 246.358 1.399 20 0 BDADRP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](CC1CCC1)C2 ZINC001202775315 984962326 /nfs/dbraw/zinc/96/23/26/984962326.db2.gz BOKSXIDNCDMNNV-CHWSQXEVSA-N 2 0 208.349 1.670 20 0 BDADRP CC[C@H](C)[NH2+]C[C@H]1O[C@H](C(C)C)O[C@@H]1C[NH3+] ZINC001257432989 985007032 /nfs/dbraw/zinc/00/70/32/985007032.db2.gz JISHVHWGBLEQEZ-IRCOFANPSA-N 2 0 230.352 1.099 20 0 BDADRP CCC[C@H](C)CC[C@H](C)[NH2+]C[C@@H](O)C[NH3+] ZINC001257462556 985073178 /nfs/dbraw/zinc/07/31/78/985073178.db2.gz CWMZXIWPYKJFBE-SRVKXCTJSA-N 2 0 216.369 1.501 20 0 BDADRP CN(C)c1cc[nH+]cc1CN[C@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001578429380 985060906 /nfs/dbraw/zinc/06/09/06/985060906.db2.gz WQQUHLAYHYJVNN-AGIUHOORSA-N 2 0 246.358 1.130 20 0 BDADRP C[N@H+](CC1(O)CCCCCC1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578445629 985077379 /nfs/dbraw/zinc/07/73/79/985077379.db2.gz RRYRTZXCRFUFOR-ITGUQSILSA-N 2 0 238.375 1.221 20 0 BDADRP C[N@@H+](Cc1cc[nH]c(=O)c1)CC1CC[NH2+]CC1 ZINC001578486085 985117682 /nfs/dbraw/zinc/11/76/82/985117682.db2.gz TYAHKJSMXPBIKG-UHFFFAOYSA-N 2 0 235.331 1.219 20 0 BDADRP CN1CC[C@@H]1C[NH2+]C[C@H]([NH3+])CCC(C)(C)C ZINC001578526065 985151576 /nfs/dbraw/zinc/15/15/76/985151576.db2.gz YMZOVWOAICALTI-VXGBXAGGSA-N 2 0 227.396 1.434 20 0 BDADRP CN1CCC([NH2+]C[C@@H]2CCC[NH2+]CC2)CC1 ZINC001578524656 985151654 /nfs/dbraw/zinc/15/16/54/985151654.db2.gz GZZRKKBDUXRULN-GFCCVEGCSA-N 2 0 225.380 1.060 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+]C2CC3(C[C@@H]3[NH3+])C2)C1 ZINC001578528644 985154640 /nfs/dbraw/zinc/15/46/40/985154640.db2.gz IYLVNWJXJSLCAD-ZIHBUVQPSA-N 3 0 237.391 1.188 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CN[C@H](C[NH3+])C(C)(C)C ZINC001578530307 985159620 /nfs/dbraw/zinc/15/96/20/985159620.db2.gz FPNPDIWBGJATTC-GHMZBOCLSA-N 2 0 213.369 1.044 20 0 BDADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC001578622345 985237398 /nfs/dbraw/zinc/23/73/98/985237398.db2.gz SCGWUHOIHVAJQI-YPMHNXCESA-N 2 0 228.380 1.325 20 0 BDADRP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCC[C@@H](SC)C1 ZINC001578638367 985248347 /nfs/dbraw/zinc/24/83/47/985248347.db2.gz MLIMXXDHWLJRNX-HBNTYKKESA-N 2 0 216.394 1.858 20 0 BDADRP CO[C@@H]1CC[C@@H](C)[N@H+](CCC[NH2+]C2CC2)C1 ZINC000687204873 985259325 /nfs/dbraw/zinc/25/93/25/985259325.db2.gz LXWSWQIBZMTQIR-DGCLKSJQSA-N 2 0 226.364 1.628 20 0 BDADRP C[NH2+]C[C@H](O)C[NH2+]C1(C2CCCCC2)CC1 ZINC001578654717 985275347 /nfs/dbraw/zinc/27/53/47/985275347.db2.gz XRQRVQSPBNMCGZ-LBPRGKRZSA-N 2 0 226.364 1.269 20 0 BDADRP C[NH2+]CCC[N@H+](C)CC1(O)CCCCCC1 ZINC001578687327 985286668 /nfs/dbraw/zinc/28/66/68/985286668.db2.gz IJOJCYFNOCPHDG-UHFFFAOYSA-N 2 0 228.380 1.613 20 0 BDADRP COC(=O)[C@H](C[NH2+]CC(C)(C)[NH3+])CC(C)C ZINC001578774409 985342110 /nfs/dbraw/zinc/34/21/10/985342110.db2.gz PWWDFFRDMNJNJW-JTQLQIEISA-N 2 0 230.352 1.149 20 0 BDADRP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC001578787967 985354808 /nfs/dbraw/zinc/35/48/08/985354808.db2.gz GQMQFNNAHBMESS-DDHJBXDOSA-N 2 0 242.363 1.147 20 0 BDADRP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]([NH3+])C2)[C@H]1C ZINC001578803596 985372270 /nfs/dbraw/zinc/37/22/70/985372270.db2.gz UMECZCCYLKXHRI-HTFCKZLJSA-N 2 0 240.347 1.044 20 0 BDADRP COC(=O)C[C@H]([NH2+]C[C@H]1CC[C@@H]([NH3+])C1)C1CC1 ZINC001578802949 985376945 /nfs/dbraw/zinc/37/69/45/985376945.db2.gz WZGYEJKYYWJRSD-WCQGTBRESA-N 2 0 240.347 1.045 20 0 BDADRP COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC001578832999 985408229 /nfs/dbraw/zinc/40/82/29/985408229.db2.gz UJLWCNGAPOZSMQ-YFKTTZPYSA-N 2 0 240.347 1.188 20 0 BDADRP COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC001578832916 985410752 /nfs/dbraw/zinc/41/07/52/985410752.db2.gz OKGXKLJNAXJGMU-TUAOUCFPSA-N 2 0 240.347 1.060 20 0 BDADRP CO[C@](C)(CN1CC[C@H]2C[NH2+]C[C@H]21)C1CC1 ZINC001578897979 985469171 /nfs/dbraw/zinc/46/91/71/985469171.db2.gz PEXJDQHEWORIRE-CYZMBNFOSA-N 2 0 224.348 1.095 20 0 BDADRP CO[C@](C)(C[NH2+]C1CC2(CC([NH3+])C2)C1)C1CC1 ZINC001578896794 985475753 /nfs/dbraw/zinc/47/57/53/985475753.db2.gz QQKDKYRJBXWQPG-WCFLAILDSA-N 2 0 238.375 1.661 20 0 BDADRP CO[C@H](C)C[NH2+]C1(C2CC[NH2+]CC2)CC1 ZINC001578902570 985490127 /nfs/dbraw/zinc/49/01/27/985490127.db2.gz PRLQTJQIAKKTFT-SNVBAGLBSA-N 2 0 212.337 1.143 20 0 BDADRP CCCC[NH+]1CCC([NH2+][C@@H]2COC[C@@H]2C)CC1 ZINC000688026632 985500001 /nfs/dbraw/zinc/50/00/01/985500001.db2.gz WASNEEUGQPWJDM-GXTWGEPZSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]([NH2+][C@@H]1COC[C@H]1C)C1CC[NH+](C)CC1 ZINC000688030686 985506448 /nfs/dbraw/zinc/50/64/48/985506448.db2.gz SLVPBKBEORYIND-NTZNESFSSA-N 2 0 226.364 1.341 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CC12CC[NH2+]CC2)CC(C)C ZINC001578912966 985513484 /nfs/dbraw/zinc/51/34/84/985513484.db2.gz PIYKKGVIDHCVJQ-STQMWFEESA-N 2 0 240.391 1.779 20 0 BDADRP C[C@H]([C@H](C)O)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001459524351 985518382 /nfs/dbraw/zinc/51/83/82/985518382.db2.gz CNLGMUNGMLZULD-AGIUHOORSA-N 2 0 226.364 1.173 20 0 BDADRP C[C@@H]1COC[C@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000688048350 985524155 /nfs/dbraw/zinc/52/41/55/985524155.db2.gz NLTMEJKRLOLRED-VXGBXAGGSA-N 2 0 226.364 1.343 20 0 BDADRP CO[C@H]1CCC[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001578938486 985552346 /nfs/dbraw/zinc/55/23/46/985552346.db2.gz UBUYTTRFZILUEK-TUAOUCFPSA-N 2 0 212.337 1.225 20 0 BDADRP COC[C@H](C)C[NH2+]C[C@H]1CCC[NH2+]CC1 ZINC001578957491 985577028 /nfs/dbraw/zinc/57/70/28/985577028.db2.gz OUSXCSKFGVMHBW-NEPJUHHUSA-N 2 0 214.353 1.248 20 0 BDADRP COC[C@H](CC(C)C)[NH2+][C@H](C)CC[NH3+] ZINC001578961289 985588880 /nfs/dbraw/zinc/58/88/80/985588880.db2.gz XFCXTOZDOAJQID-MNOVXSKESA-N 2 0 202.342 1.374 20 0 BDADRP COCC(C)(C)C[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001578955726 985564397 /nfs/dbraw/zinc/56/43/97/985564397.db2.gz UPFSJWRHKXOJFH-YZRBJQDESA-N 2 0 212.337 1.128 20 0 BDADRP COC[C@@H](CC1CCOCC1)[NH2+]C(C)(C)C[NH3+] ZINC001578960364 985582446 /nfs/dbraw/zinc/58/24/46/985582446.db2.gz GJFIPAVEDJPVJL-GFCCVEGCSA-N 2 0 244.379 1.145 20 0 BDADRP COC[C@H](CC(C)C)[NH2+][C@@H](C)CC[NH3+] ZINC001578961290 985588376 /nfs/dbraw/zinc/58/83/76/985588376.db2.gz XFCXTOZDOAJQID-QWRGUYRKSA-N 2 0 202.342 1.374 20 0 BDADRP COCC1(CC[NH2+]C2CC3(C[C@@H]3[NH3+])C2)CC1 ZINC001578980822 985604259 /nfs/dbraw/zinc/60/42/59/985604259.db2.gz JXWJSCMCSOPIEK-AKJDGMEZSA-N 2 0 224.348 1.273 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+][C@@H](COC)CC(C)(C)C ZINC001579000673 985616108 /nfs/dbraw/zinc/61/61/08/985616108.db2.gz AOAIFUQTBFXVSO-NWDGAFQWSA-N 2 0 246.395 1.391 20 0 BDADRP COCC[C@@H]([NH3+])C[NH2+]C[C@H](C)c1ccncc1 ZINC001579002025 985651523 /nfs/dbraw/zinc/65/15/23/985651523.db2.gz NASZETDOYULYHV-WCQYABFASA-N 2 0 237.347 1.139 20 0 BDADRP COCC[C@@H]([NH3+])C[NH2+]CC1Cc2ccccc2C1 ZINC001579002371 985656453 /nfs/dbraw/zinc/65/64/53/985656453.db2.gz AUMWCTCWIHZKBG-OAHLLOKOSA-N 2 0 248.370 1.355 20 0 BDADRP COCC[C@@H]([NH3+])C[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC001579003841 985659090 /nfs/dbraw/zinc/65/90/90/985659090.db2.gz MFPXYUZKQMBMOG-DJLDLDEBSA-N 2 0 240.269 1.138 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+]C[C@@H]1CC[C@@H](C)C1 ZINC001579004395 985667321 /nfs/dbraw/zinc/66/73/21/985667321.db2.gz TYPZIJADXCMZFP-UTUOFQBUSA-N 2 0 214.353 1.376 20 0 BDADRP COCc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC001579090287 985707601 /nfs/dbraw/zinc/70/76/01/985707601.db2.gz BWELCJMXOOONPW-OAHLLOKOSA-N 2 0 248.370 1.922 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000689031140 985788790 /nfs/dbraw/zinc/78/87/90/985788790.db2.gz XUYZEQSPWXVPQF-VHSXEESVSA-N 2 0 234.290 1.081 20 0 BDADRP COc1cc(CC[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)ccn1 ZINC001579148467 985815629 /nfs/dbraw/zinc/81/56/29/985815629.db2.gz BYSBCCNZOTZFGC-VXGBXAGGSA-N 2 0 249.358 1.348 20 0 BDADRP COc1ccc(CC[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)cn1 ZINC001579209109 985821294 /nfs/dbraw/zinc/82/12/94/985821294.db2.gz IPYAOWTWPQIIBG-NWDGAFQWSA-N 2 0 249.358 1.348 20 0 BDADRP COc1cccc(C[NH2+]C2CC3(C[C@H]3[NH3+])C2)c1C ZINC001579277268 985828044 /nfs/dbraw/zinc/82/80/44/985828044.db2.gz BEUVVPVIDZWBHQ-HNFVBEJKSA-N 2 0 246.354 1.973 20 0 BDADRP COC(=O)CC[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC001258355904 985837039 /nfs/dbraw/zinc/83/70/39/985837039.db2.gz LRXDFKYNJPPJNG-VXGBXAGGSA-N 2 0 242.363 1.402 20 0 BDADRP COc1nc(C[NH2+][C@H]2C[C@H](C[NH3+])C2)ccc1C ZINC001579323664 985846149 /nfs/dbraw/zinc/84/61/49/985846149.db2.gz MCWLVUAWAZSWSH-UMSPYCQHSA-N 2 0 235.331 1.226 20 0 BDADRP C[S@](=O)[C@@H]1CC[C@@H]([NH2+]C2CC(CC[NH3+])C2)C1 ZINC001579354687 985853032 /nfs/dbraw/zinc/85/30/32/985853032.db2.gz FLIBYJNEAYUABJ-LQBTWUFHSA-N 2 0 244.404 1.003 20 0 BDADRP C[S@](=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](C[NH3+])C2)C1 ZINC001579355641 985854297 /nfs/dbraw/zinc/85/42/97/985854297.db2.gz NYWCVRBTXYKGAZ-WZIZPHDVSA-N 2 0 244.404 1.003 20 0 BDADRP CS[C@H]1CC[C@H]1[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC001579366918 985855176 /nfs/dbraw/zinc/85/51/76/985855176.db2.gz GJQJFAMWCBDFJK-YTWAJWBKSA-N 2 0 214.378 1.326 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cc[nH]c(=O)c2)C[C@H]1CC[NH3+] ZINC001579440558 985924082 /nfs/dbraw/zinc/92/40/82/985924082.db2.gz MQEPCKMRPHVXEG-ZYHUDNBSSA-N 2 0 235.331 1.204 20 0 BDADRP C[C@@H]1C[N@H+](CCC(=O)OC(C)(C)C)C[C@H]1C[NH3+] ZINC001579440293 985930183 /nfs/dbraw/zinc/93/01/83/985930183.db2.gz UHIJIOFNWZAWEM-GHMZBOCLSA-N 2 0 242.363 1.245 20 0 BDADRP C[C@@H]1C[N@H+](CCC2C[NH2+]C2)[C@H](C)CCO1 ZINC001579440079 985930414 /nfs/dbraw/zinc/93/04/14/985930414.db2.gz NTDCSUHKOBHJKG-GHMZBOCLSA-N 2 0 212.337 1.095 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C[C@@]1(C)CCCCO1 ZINC001579453878 985945374 /nfs/dbraw/zinc/94/53/74/985945374.db2.gz PKBNAGSOTLOMIM-MGPQQGTHSA-N 2 0 240.391 1.781 20 0 BDADRP C[Si](C)(C)C[N@@H+]1CC[C@]12CCC[NH2+]C2 ZINC001579510070 986064495 /nfs/dbraw/zinc/06/44/95/986064495.db2.gz RPPQBHBFJISDAE-NSHDSACASA-N 2 0 212.413 1.692 20 0 BDADRP C[Si](C)(C)C[N@@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001579510069 986064927 /nfs/dbraw/zinc/06/49/27/986064927.db2.gz RPPQBHBFJISDAE-LLVKDONJSA-N 2 0 212.413 1.692 20 0 BDADRP Cc1n[nH]c(C[NH2+]C2CC3(CC([NH3+])C3)C2)c1C ZINC001579514729 986069595 /nfs/dbraw/zinc/06/95/95/986069595.db2.gz VOZUTKFVRKFXGY-UHFFFAOYSA-N 2 0 234.347 1.386 20 0 BDADRP Cc1c[nH]c(=O)c(C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)c1 ZINC001579543794 986075021 /nfs/dbraw/zinc/07/50/21/986075021.db2.gz IORBSAJRVBUMCJ-MNOVXSKESA-N 2 0 235.331 1.311 20 0 BDADRP Cc1cc(C[NH2+]CCOCCC[NH3+])cs1 ZINC001579601388 986094497 /nfs/dbraw/zinc/09/44/97/986094497.db2.gz PARDIMDWPPLBKR-UHFFFAOYSA-N 2 0 228.361 1.512 20 0 BDADRP Cc1ccc(C)c([C@H](C)[NH2+]C[C@@](C)(O)C[NH3+])c1 ZINC001579671961 986181172 /nfs/dbraw/zinc/18/11/72/986181172.db2.gz UNJOBWFQYXIPHX-JSGCOSHPSA-N 2 0 236.359 1.664 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cccnc3)[C@H]2C1 ZINC001461832164 986191548 /nfs/dbraw/zinc/19/15/48/986191548.db2.gz UBEXWJHICKHHPT-MELADBBJSA-N 2 0 231.343 1.511 20 0 BDADRP Cc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]CC2)nn1 ZINC001579696773 986193157 /nfs/dbraw/zinc/19/31/57/986193157.db2.gz FCDLETFHHVKQTP-GFCCVEGCSA-N 2 0 234.347 1.264 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cccnc3)[C@@H]2C1 ZINC001461832162 986198543 /nfs/dbraw/zinc/19/85/43/986198543.db2.gz UBEXWJHICKHHPT-BFHYXJOUSA-N 2 0 231.343 1.511 20 0 BDADRP Cc1ccncc1CC[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC001579814846 986235693 /nfs/dbraw/zinc/23/56/93/986235693.db2.gz PYHWQJPEYDJDRL-STQMWFEESA-N 2 0 233.359 1.648 20 0 BDADRP Cc1conc1CN1C[C@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001579830011 986256824 /nfs/dbraw/zinc/25/68/24/986256824.db2.gz MCIHNXRACKAPLB-TZMCWYRMSA-N 2 0 249.358 1.934 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)CC1 ZINC001462002673 986261317 /nfs/dbraw/zinc/26/13/17/986261317.db2.gz PFTBOIVMLCPZHY-TZMCWYRMSA-N 2 0 240.391 1.421 20 0 BDADRP Cc1n[nH]c(C)c1C[NH2+]Cc1ccccc1C[NH3+] ZINC001579838267 986262023 /nfs/dbraw/zinc/26/20/23/986262023.db2.gz YJYWRQPNUCNIDX-UHFFFAOYSA-N 2 0 244.342 1.775 20 0 BDADRP Cc1n[nH]cc1C[NH2+]C[C@@H]1CCC[NH2+]CC1 ZINC001579839781 986264687 /nfs/dbraw/zinc/26/46/87/986264687.db2.gz RFLARQMMEFPCNB-LLVKDONJSA-N 2 0 222.336 1.197 20 0 BDADRP Cc1nccnc1[C@H](C)[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001579882585 986302569 /nfs/dbraw/zinc/30/25/69/986302569.db2.gz AQDZXCMIKXKIKS-URAGZPLESA-N 2 0 232.331 1.315 20 0 BDADRP Cc1noc(C2CC([NH2+]CC3([NH3+])CCC3)C2)n1 ZINC001579920097 986336217 /nfs/dbraw/zinc/33/62/17/986336217.db2.gz JESOCGAVMXOGFK-UHFFFAOYSA-N 2 0 236.319 1.095 20 0 BDADRP Cn1ncc(C[NH3+])c1C[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC001580002558 986402544 /nfs/dbraw/zinc/40/25/44/986402544.db2.gz ZGQWLKHXIBJMQO-ZMLRMANQSA-N 2 0 234.347 1.157 20 0 BDADRP CO[C@H](C[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1)C1CC1 ZINC001462619226 986455382 /nfs/dbraw/zinc/45/53/82/986455382.db2.gz QLHOVWFSTOCEMX-MCIONIFRSA-N 2 0 238.375 1.295 20 0 BDADRP C[C@]1(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1(F)F ZINC000689260497 986467504 /nfs/dbraw/zinc/46/75/04/986467504.db2.gz IAFIYMOJWWYJOR-PYZHKEBXSA-N 2 0 242.313 1.618 20 0 BDADRP CC[C@H](C)C[NH2+]C[C@@H]1C[NH+]2CCC1CC2 ZINC001462638362 986481325 /nfs/dbraw/zinc/48/13/25/986481325.db2.gz YGGFNQSMYIDLGP-WCQYABFASA-N 2 0 210.365 1.964 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001462662566 986488031 /nfs/dbraw/zinc/48/80/31/986488031.db2.gz CXPNCRDIXHMUSA-CKIKVBCHSA-N 2 0 226.364 1.340 20 0 BDADRP C[C@H](CCCC[NH3+])NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC001261492911 986515254 /nfs/dbraw/zinc/51/52/54/986515254.db2.gz ACISSXWAQYNKQR-WOPDTQHZSA-N 2 0 241.379 1.138 20 0 BDADRP [NH3+]C1CC([NH2+][C@H](CO)CCc2ccccc2)C1 ZINC001580164366 986631408 /nfs/dbraw/zinc/63/14/08/986631408.db2.gz HTHSAOZZFNJKJZ-MOKVOYLWSA-N 2 0 234.343 1.059 20 0 BDADRP [NH3+]C1CC([NH2+]C[C@@H]2C[C@@H]2C2CCCC2)C1 ZINC001580162625 986637053 /nfs/dbraw/zinc/63/70/53/986637053.db2.gz CIZGRQFQESYBAO-YWPUVAFDSA-N 2 0 208.349 1.892 20 0 BDADRP C[C@@H]1CC[N@@H+]([C@@H]2CCC[NH+](C)CC2)C[C@]1(C)O ZINC001254516439 986657316 /nfs/dbraw/zinc/65/73/16/986657316.db2.gz MJTKZWHPKMWMOB-MCIONIFRSA-N 2 0 240.391 1.564 20 0 BDADRP [NH3+]CC1(C[NH2+][C@@H](CO)CCc2ccccc2)CC1 ZINC001580243541 986697075 /nfs/dbraw/zinc/69/70/75/986697075.db2.gz KNGHCIPZKUECED-CQSZACIVSA-N 2 0 248.370 1.309 20 0 BDADRP [NH3+]C[C@]12C[N@H+](CCc3cn[nH]c3)C[C@@H]1CCCC2 ZINC001580256695 986710851 /nfs/dbraw/zinc/71/08/51/986710851.db2.gz WYMBXYUZQYLQHQ-UONOGXRCSA-N 2 0 248.374 1.403 20 0 BDADRP [NH3+]C[C@@]12C[N@H+](CCn3ccnc3)C[C@H]1CCCC2 ZINC001580256453 986711226 /nfs/dbraw/zinc/71/12/26/986711226.db2.gz ULPQVVXOOSYMTQ-KGLIPLIRSA-N 2 0 248.374 1.334 20 0 BDADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2O3)C1 ZINC001580260807 986716121 /nfs/dbraw/zinc/71/61/21/986716121.db2.gz SDNSANRBXNIXQN-RMPHRYRLSA-N 2 0 210.321 1.023 20 0 BDADRP [NH3+]CC[C@H](O)C[N@@H+]1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001580284965 986730800 /nfs/dbraw/zinc/73/08/00/986730800.db2.gz YXOGHPIUMNVHFJ-IHRRRGAJSA-N 2 0 238.375 1.207 20 0 BDADRP [NH3+]CC[C@@H](O)C[N@H+](CCc1ccccc1)C1CC1 ZINC001580284666 986733508 /nfs/dbraw/zinc/73/35/08/986733508.db2.gz NNQRGJMPYKBTPD-OAHLLOKOSA-N 2 0 248.370 1.403 20 0 BDADRP [NH3+]CCCCCCC[N@@H+]1CC[C@@](F)(CO)C1 ZINC001580293186 986735764 /nfs/dbraw/zinc/73/57/64/986735764.db2.gz WEMMDDVTSZYACI-LBPRGKRZSA-N 2 0 232.343 1.302 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+]C2CCOCC2)C1 ZINC001255030777 986784285 /nfs/dbraw/zinc/78/42/85/986784285.db2.gz MQZHJKIUMOVLSE-GFCCVEGCSA-N 2 0 226.364 1.487 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2CCC[C@H]2CCO)C1 ZINC001580389487 986815124 /nfs/dbraw/zinc/81/51/24/986815124.db2.gz JVTJJZSGYKEKSB-RVMXOQNASA-N 2 0 226.364 1.255 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+]C[C@H]2CCCOC2)C1 ZINC001580389287 986816569 /nfs/dbraw/zinc/81/65/69/986816569.db2.gz GWHVCIMTSTXGJI-QJPTWQEYSA-N 2 0 212.337 1.130 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+]C[C@]23OCCC[C@H]2C3(F)F)C1 ZINC001580421920 986838747 /nfs/dbraw/zinc/83/87/47/986838747.db2.gz WCHLCOWBBRYJAB-YTWAJWBKSA-N 2 0 246.301 1.128 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2c3ccccc3CC[C@H]2O)C1 ZINC001580421411 986839478 /nfs/dbraw/zinc/83/94/78/986839478.db2.gz INKQUUQXXXGXEE-BQPHKTIFSA-N 2 0 246.354 1.362 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]C2CC(CF)(CF)C2)C1 ZINC001580429979 986847365 /nfs/dbraw/zinc/84/73/65/986847365.db2.gz DYHVKPLDICUFMJ-ZKCHVHJHSA-N 2 0 204.264 1.154 20 0 BDADRP CCCC[C@H](C)[NH+]1CCN(CCC[NH3+])CC1 ZINC001255313231 986907282 /nfs/dbraw/zinc/90/72/82/986907282.db2.gz DXAJMKNFZSAVFL-ZDUSSCGKSA-N 2 0 227.396 1.532 20 0 BDADRP C[N@H+]1C[C@@H]2C[NH+]([C@H]3CCOC(C)(C)C3)C[C@@H]2C1 ZINC001255547891 987004127 /nfs/dbraw/zinc/00/41/27/987004127.db2.gz XKRRGUUKHAWJHM-XQQFMLRXSA-N 2 0 238.375 1.437 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]C1(CO)CC1 ZINC001255945016 987077880 /nfs/dbraw/zinc/07/78/80/987077880.db2.gz IUNNLBGAZYKICH-NSHDSACASA-N 2 0 214.353 1.221 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]C1(CO)CC1 ZINC001255945014 987079243 /nfs/dbraw/zinc/07/92/43/987079243.db2.gz IUNNLBGAZYKICH-LLVKDONJSA-N 2 0 214.353 1.221 20 0 BDADRP CCCC[C@H](O)C[NH2+]C[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001245971376 987239916 /nfs/dbraw/zinc/23/99/16/987239916.db2.gz GBVMNNLEIYINPA-UPJWGTAASA-N 2 0 228.380 1.515 20 0 BDADRP CCCC[C@H](O)C[NH2+]C[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001245971360 987245536 /nfs/dbraw/zinc/24/55/36/987245536.db2.gz GBVMNNLEIYINPA-AGIUHOORSA-N 2 0 228.380 1.515 20 0 BDADRP CCCCC[C@H](O)C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC001245982547 987261001 /nfs/dbraw/zinc/26/10/01/987261001.db2.gz FWNXGWOTIPVJIZ-STQMWFEESA-N 2 0 228.380 1.517 20 0 BDADRP CCCCOC[C@@H](O)C[NH2+][C@H]1CCCC[C@H]1[NH3+] ZINC001246017992 987303326 /nfs/dbraw/zinc/30/33/26/987303326.db2.gz LCHKFESPBVDDIJ-XQQFMLRXSA-N 2 0 244.379 1.024 20 0 BDADRP [NH3+][C@@H]1CCC[N@H+](C[C@@H](O)c2ccccc2)CC1 ZINC001246017024 987304183 /nfs/dbraw/zinc/30/41/83/987304183.db2.gz PRHQDNGGTXOQGI-ZIAGYGMSSA-N 2 0 234.343 1.533 20 0 BDADRP CCC[C@@H](O)C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246020755 987304899 /nfs/dbraw/zinc/30/48/99/987304899.db2.gz LSMZBBRCHVRZRU-VXGBXAGGSA-N 2 0 232.343 1.300 20 0 BDADRP [NH3+][C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)c1ccccc1 ZINC001246021131 987307735 /nfs/dbraw/zinc/30/77/35/987307735.db2.gz VIPNVLIBEFZNLE-RDBSUJKOSA-N 2 0 234.343 1.580 20 0 BDADRP CC(C)[C@@H](O)C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246022015 987313059 /nfs/dbraw/zinc/31/30/59/987313059.db2.gz ODGXZYLWNGPKAG-STQMWFEESA-N 2 0 228.380 1.454 20 0 BDADRP CC(C)[C@H](O)C[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246023307 987313251 /nfs/dbraw/zinc/31/32/51/987313251.db2.gz QXSWMMCTVBXFDD-VXGBXAGGSA-N 2 0 232.343 1.156 20 0 BDADRP CC(C)[C@H](O)C[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246023300 987314164 /nfs/dbraw/zinc/31/41/64/987314164.db2.gz QXSWMMCTVBXFDD-NEPJUHHUSA-N 2 0 232.343 1.156 20 0 BDADRP CCCC[C@@H]1C[C@@H](NCC[NH2+]C)CC[NH2+]1 ZINC001246073657 987358890 /nfs/dbraw/zinc/35/88/90/987358890.db2.gz XXNLMZKHHZSGNG-NEPJUHHUSA-N 2 0 213.369 1.106 20 0 BDADRP CCCC[C@H]1C[C@H](NCC[NH2+]C)CC[NH2+]1 ZINC001246073658 987360986 /nfs/dbraw/zinc/36/09/86/987360986.db2.gz XXNLMZKHHZSGNG-NWDGAFQWSA-N 2 0 213.369 1.106 20 0 BDADRP CC[C@H]1C[C@H](NCC2([NH3+])CCCC2)CC[NH2+]1 ZINC001246075755 987365376 /nfs/dbraw/zinc/36/53/76/987365376.db2.gz MPXDXKNGAWIMQF-NWDGAFQWSA-N 2 0 225.380 1.378 20 0 BDADRP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCSCC1 ZINC000699309679 987374058 /nfs/dbraw/zinc/37/40/58/987374058.db2.gz COTDOUQVCWIPDK-YOGCLGLASA-N 2 0 226.389 1.566 20 0 BDADRP CCC(CC)C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246084374 987381163 /nfs/dbraw/zinc/38/11/63/987381163.db2.gz YWKADPBDYQPWGH-LBPRGKRZSA-N 2 0 225.380 1.106 20 0 BDADRP Cc1oncc1CN[C@H]1CC[NH2+][C@H](C)C1 ZINC001246083607 987381439 /nfs/dbraw/zinc/38/14/39/987381439.db2.gz VCOKKXOAWNDDAA-KCJUWKMLSA-N 2 0 209.293 1.213 20 0 BDADRP CCC[NH+]1CCC(N[C@H]2CC[NH2+]C[C@H]2F)CC1 ZINC001246087459 987383981 /nfs/dbraw/zinc/38/39/81/987383981.db2.gz OINRTHCZVJIKII-OLZOCXBDSA-N 2 0 243.370 1.150 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCNC[C@H]2F)CC1 ZINC001246088846 987391298 /nfs/dbraw/zinc/39/12/98/987391298.db2.gz YBGOXPTYOOWSDI-FIYWTHMPSA-N 2 0 243.370 1.149 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246090174 987393139 /nfs/dbraw/zinc/39/31/39/987393139.db2.gz FLYLWKIZVYGZKI-RFQIPJPRSA-N 2 0 240.391 1.922 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N[C@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC001246089549 987394698 /nfs/dbraw/zinc/39/46/98/987394698.db2.gz GHFZKZPOHATRKE-IHRRRGAJSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H]1CC[C@H](CN[C@H]2CCC[NH2+]CC2)C[NH2+]1 ZINC001246091882 987397268 /nfs/dbraw/zinc/39/72/68/987397268.db2.gz HSURGKWRUQLCOY-AGIUHOORSA-N 2 0 225.380 1.106 20 0 BDADRP C1C[C@H]2CC(N[C@H]3CCCC[NH2+]C3)C[C@@H]1[NH2+]2 ZINC001246090911 987397569 /nfs/dbraw/zinc/39/75/69/987397569.db2.gz MTBHUGAUFMMJGZ-FXJUQPSGSA-N 2 0 223.364 1.001 20 0 BDADRP CCCC[C@@H]1C[C@H](N[C@@]2(C)CC[NH2+]C2)CC[NH2+]1 ZINC001246095449 987406337 /nfs/dbraw/zinc/40/63/37/987406337.db2.gz GGPJEQBCFYZPAC-MCIONIFRSA-N 2 0 239.407 1.639 20 0 BDADRP CC[NH+]1CCC(NC[C@H]2C[NH2+]C[C@H](C)C2)CC1 ZINC001246096238 987408532 /nfs/dbraw/zinc/40/85/32/987408532.db2.gz DQRGUPDNTJZSMX-CHWSQXEVSA-N 2 0 239.407 1.306 20 0 BDADRP CC(C)c1nc(CC[NH2+]C2CC[NH2+]CC2)no1 ZINC001246097432 987410441 /nfs/dbraw/zinc/41/04/41/987410441.db2.gz PCGOBRQJVWEQQA-UHFFFAOYSA-N 2 0 238.335 1.077 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCC[C@H]2F)CC[NH2+]1 ZINC001246101013 987422981 /nfs/dbraw/zinc/42/29/81/987422981.db2.gz YNGZDBQYGCWQOJ-FIQHERPVSA-N 2 0 214.328 1.855 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N[C@@H]2CCCC[C@@H]2[NH3+])CC[NH2+]1 ZINC001246101846 987423762 /nfs/dbraw/zinc/42/37/62/987423762.db2.gz MOKKEHHXEVMFMS-FQUUOJAGSA-N 2 0 239.407 1.623 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](C[NH2+][C@H]2CCCOCC2)C1 ZINC001246103987 987427107 /nfs/dbraw/zinc/42/71/07/987427107.db2.gz UDPRNJVMHJZGSU-AVGNSLFASA-N 2 0 226.364 1.391 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N[C@@H]2C[NH2+]CC[C@H]2C)CC[NH2+]1 ZINC001246103072 987428595 /nfs/dbraw/zinc/42/85/95/987428595.db2.gz SPTMQABKVNIHCT-ZOBORPQBSA-N 2 0 239.407 1.351 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N[C@@H]1C[NH2+]CC[C@H]1C ZINC001246103717 987428774 /nfs/dbraw/zinc/42/87/74/987428774.db2.gz YVZUSKIJXSOGLB-HZSPNIEDSA-N 2 0 241.423 1.694 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[C@@H](C)C[NH2+]2)C1 ZINC001246103227 987428884 /nfs/dbraw/zinc/42/88/84/987428884.db2.gz GSGOTMNTIBRBPA-XJFOESAGSA-N 2 0 240.391 1.922 20 0 BDADRP CCOCC[C@H](C)[NH2+]C[C@H]1C[NH2+]C[C@H](C)C1 ZINC001246104279 987431626 /nfs/dbraw/zinc/43/16/26/987431626.db2.gz UPYYWKNERXVHTQ-FRRDWIJNSA-N 2 0 228.380 1.637 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](C[NH2+]C2C[C@H](C)O[C@@H](C)C2)C1 ZINC001246106530 987437842 /nfs/dbraw/zinc/43/78/42/987437842.db2.gz XZTZXYJNKPLYHG-ZDEQEGDKSA-N 2 0 240.391 1.778 20 0 BDADRP C[NH2+]CCC[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246106601 987437932 /nfs/dbraw/zinc/43/79/32/987437932.db2.gz DUWXSICJBPWLOI-UHFFFAOYSA-N 3 0 239.407 1.498 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+]C2C[C@H](C)O[C@@H](C)C2)[NH2+]C1 ZINC001246106605 987439531 /nfs/dbraw/zinc/43/95/31/987439531.db2.gz DWOZSVMILHOYJE-MROQNXINSA-N 2 0 240.391 1.920 20 0 BDADRP CC[C@@H]1C[C@H](NC[C@@H]2CC[C@@H](C)C[NH2+]2)CC[NH2+]1 ZINC001246110239 987441339 /nfs/dbraw/zinc/44/13/39/987441339.db2.gz HSXXDBXMQMMUEH-SYQHCUMBSA-N 2 0 239.407 1.495 20 0 BDADRP C(N[C@@H]1CCCC[NH2+]C1)[C@H]1CCCC[NH2+]C1 ZINC001246109213 987441388 /nfs/dbraw/zinc/44/13/88/987441388.db2.gz ACKMGJBUISYDKC-QWHCGFSZSA-N 2 0 225.380 1.108 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1C[NH2+][C@@H]1CCCSC1 ZINC001246109789 987443289 /nfs/dbraw/zinc/44/32/89/987443289.db2.gz HACDRABCEUFTDW-GRYCIOLGSA-N 2 0 228.405 1.717 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]CC[C@H]2C)CCO1 ZINC001246110356 987443454 /nfs/dbraw/zinc/44/34/54/987443454.db2.gz HVCNSPWYBJPERW-FVCCEPFGSA-N 2 0 226.364 1.389 20 0 BDADRP C[NH2+]C1CCC([NH2+]C[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC001246112318 987444569 /nfs/dbraw/zinc/44/45/69/987444569.db2.gz NPPSYHOGEBJHHJ-KBHBFKLGSA-N 3 0 239.407 1.352 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1C[NH2+][C@H]1CCSC1 ZINC001246110908 987446056 /nfs/dbraw/zinc/44/60/56/987446056.db2.gz JHNBABZMJOYKQL-VWYCJHECSA-N 2 0 214.378 1.327 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+][C@@H]1CCCN(C)C1 ZINC001246113931 987449746 /nfs/dbraw/zinc/44/97/46/987449746.db2.gz UVQGJHKLNGRQRS-YNEHKIRRSA-N 2 0 225.380 1.058 20 0 BDADRP CC[C@H]1CC(N[C@@H]2CCC[NH2+]C2)C[C@H](CC)[NH2+]1 ZINC001246113013 987449812 /nfs/dbraw/zinc/44/98/12/987449812.db2.gz WLHSWKXOTLWWCX-RWMBFGLXSA-N 2 0 239.407 1.637 20 0 BDADRP CCCC[C@H]1C[C@@H](N[C@@H]2C[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC001246113579 987451755 /nfs/dbraw/zinc/45/17/55/987451755.db2.gz DDRBFCDBDCVHSA-XDQVBPFNSA-N 2 0 239.407 1.495 20 0 BDADRP CCCC[C@@H]1C[C@H](NCCC[NH2+]C)CC[NH2+]1 ZINC001246114933 987455220 /nfs/dbraw/zinc/45/52/20/987455220.db2.gz QKNXDBKLCWKAQC-CHWSQXEVSA-N 2 0 227.396 1.496 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[NH2+][C@@H]2C)C1 ZINC001246114398 987455727 /nfs/dbraw/zinc/45/57/27/987455727.db2.gz WGTLWNHHMMEBTL-YIYPIFLZSA-N 2 0 240.391 1.922 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N[C@H]1CCC[NH2+]C1 ZINC001246120981 987468786 /nfs/dbraw/zinc/46/87/86/987468786.db2.gz UCFNBFRUWIUIGH-OLZOCXBDSA-N 2 0 227.396 1.448 20 0 BDADRP CC(C)(C)[C@@H]1C[C@@H](N[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246121617 987468795 /nfs/dbraw/zinc/46/87/95/987468795.db2.gz BYUQPNWRCOJOLQ-AVGNSLFASA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1C[NH2+][C@@H]1CCCOCC1 ZINC001246122642 987469720 /nfs/dbraw/zinc/46/97/20/987469720.db2.gz YKEHBOVOUJPDSE-FRRDWIJNSA-N 2 0 226.364 1.391 20 0 BDADRP C1CC2(C[C@@H]1[NH2+][C@@H]1CCCNC1)CC[NH2+]CC2 ZINC001246125676 987472785 /nfs/dbraw/zinc/47/27/85/987472785.db2.gz FNZKQUBYDRFDOL-CHWSQXEVSA-N 2 0 237.391 1.250 20 0 BDADRP CC[C@@H]1CC[C@@H]([NH2+][C@H]2C[NH2+]CC23CC3)C1 ZINC001246133422 987486597 /nfs/dbraw/zinc/48/65/97/987486597.db2.gz NXHWYFSATUPRNO-UTUOFQBUSA-N 2 0 208.349 1.907 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC23CC[NH2+]CC3)CN1 ZINC001246137611 987492293 /nfs/dbraw/zinc/49/22/93/987492293.db2.gz JMKMVQNOKFLQLJ-AGIUHOORSA-N 2 0 237.391 1.249 20 0 BDADRP CC1(C)CCC[C@@H]([NH2+][C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)C1 ZINC001246139744 987498343 /nfs/dbraw/zinc/49/83/43/987498343.db2.gz WIZCEZDRNYXRER-FDYHWXHSSA-N 2 0 238.375 1.532 20 0 BDADRP CC[C@H]1CC(N[C@@H]2CC[NH2+]C2)C[C@H](CC)[NH2+]1 ZINC001246147468 987504925 /nfs/dbraw/zinc/50/49/25/987504925.db2.gz KTYFULUQXHWDBW-SDDRHHMPSA-N 2 0 225.380 1.247 20 0 BDADRP CC(C)CCC[C@@H](C)[NH2+][C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001246150227 987508027 /nfs/dbraw/zinc/50/80/27/987508027.db2.gz VQOAZEABGWYCGE-YIYPIFLZSA-N 2 0 240.391 1.778 20 0 BDADRP C([NH2+]C1CCCC1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001246149137 987508919 /nfs/dbraw/zinc/50/89/19/987508919.db2.gz TYLIJNRPVVHJDY-ZDUSSCGKSA-N 2 0 237.391 1.393 20 0 BDADRP [NH3+]C12CCC([NH2+]C3CC[NH2+]CC3)(CC1)CC2 ZINC001246161808 987520182 /nfs/dbraw/zinc/52/01/82/987520182.db2.gz BQBRDTRRNNTGQX-UHFFFAOYSA-N 3 0 223.364 1.132 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C23CCC([NH3+])(CC2)CC3)CC[NH2+]1 ZINC001246163642 987528299 /nfs/dbraw/zinc/52/82/99/987528299.db2.gz OLQBFAWRNCERRF-IWMBGFJWSA-N 3 0 237.391 1.521 20 0 BDADRP C[NH+](C)CCCCC[NH2+]C1CC[NH2+]CC1 ZINC001246168944 987532170 /nfs/dbraw/zinc/53/21/70/987532170.db2.gz GUCZIBVCWIKLMY-UHFFFAOYSA-N 3 0 213.369 1.060 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCCCC[NH+](C)C)CC[NH2+]1 ZINC001246173614 987536228 /nfs/dbraw/zinc/53/62/28/987536228.db2.gz URQDXSIJMGEGMR-CHWSQXEVSA-N 3 0 227.396 1.448 20 0 BDADRP C[C@H]1C[C@H](Nc2cccc(F)c2C[NH3+])CC[NH2+]1 ZINC001246173823 987537089 /nfs/dbraw/zinc/53/70/89/987537089.db2.gz VTUTWHIRYGSFSZ-VHSXEESVSA-N 2 0 237.322 1.837 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)CC[NH2+]1 ZINC001246176269 987544998 /nfs/dbraw/zinc/54/49/98/987544998.db2.gz OBNXBXRUVVZXIT-HZSPNIEDSA-N 3 0 239.407 1.448 20 0 BDADRP Cc1ncn([C@@H]2CC[NH2+][C@@H](C)C2)c1CC[NH3+] ZINC001246179249 987550878 /nfs/dbraw/zinc/55/08/78/987550878.db2.gz OXOWNSTZGGQUEE-GXSJLCMTSA-N 2 0 222.336 1.006 20 0 BDADRP C[C@@H]1C[C@@H](n2ccc3cc(C[NH3+])cnc32)CC[NH2+]1 ZINC001246182913 987552749 /nfs/dbraw/zinc/55/27/49/987552749.db2.gz BOLGJIMLRRHGJY-MFKMUULPSA-N 2 0 244.342 1.808 20 0 BDADRP CCCC[N@H+](C)CCCN[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246183556 987555402 /nfs/dbraw/zinc/55/54/02/987555402.db2.gz FUTLCTXNSRXLOW-KBPBESRZSA-N 2 0 241.423 1.839 20 0 BDADRP C([NH2+][C@H]1CCCC[NH2+]C1)[C@H]1CC12CC[NH2+]CC2 ZINC001246185672 987562381 /nfs/dbraw/zinc/56/23/81/987562381.db2.gz VHWWHQJLTNJYIE-OLZOCXBDSA-N 3 0 237.391 1.108 20 0 BDADRP C[C@@H]1CC(N[C@]2(C)CCC[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC001246188053 987570702 /nfs/dbraw/zinc/57/07/02/987570702.db2.gz HKWTWRGCNFZDCR-NQBHXWOUSA-N 2 0 225.380 1.247 20 0 BDADRP CCOCC[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC001246188642 987571475 /nfs/dbraw/zinc/57/14/75/987571475.db2.gz ZGQKONRAYUZIEQ-GHMZBOCLSA-N 2 0 200.326 1.143 20 0 BDADRP C[C@@H]1CC(N[C@@]2(C)CCC[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC001246188058 987573253 /nfs/dbraw/zinc/57/32/53/987573253.db2.gz HKWTWRGCNFZDCR-WZRBSPASSA-N 2 0 225.380 1.247 20 0 BDADRP CCOC(=O)C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246191981 987576937 /nfs/dbraw/zinc/57/69/37/987576937.db2.gz CTIUHXMQCMSPSR-WSMDXJOWSA-N 2 0 240.347 1.201 20 0 BDADRP [NH3+]Cc1nn([C@@H]2CCC[NH2+]C2)c2ccccc12 ZINC001246197786 987592227 /nfs/dbraw/zinc/59/22/27/987592227.db2.gz AOOODVVQOTYYEJ-SNVBAGLBSA-N 2 0 230.315 1.420 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC[C@@H]1CCC[NH2+]C1)C2 ZINC001246199580 987593608 /nfs/dbraw/zinc/59/36/08/987593608.db2.gz XIIYOPHLNIKOQY-YIYPIFLZSA-N 2 0 237.391 1.201 20 0 BDADRP [NH3+]Cc1ccc2nn([C@H]3CCC[NH2+]C3)cc2c1 ZINC001246199961 987594640 /nfs/dbraw/zinc/59/46/40/987594640.db2.gz ZBLRKHXUKNBLFL-LBPRGKRZSA-N 2 0 230.315 1.420 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001246200662 987595705 /nfs/dbraw/zinc/59/57/05/987595705.db2.gz ALCZLKYYTFLZCM-MGPQQGTHSA-N 2 0 241.423 1.966 20 0 BDADRP [NH3+][C@H]1CC[C@@H](CC[NH2+][C@@H]2CCCNC2)CC1 ZINC001246201294 987598850 /nfs/dbraw/zinc/59/88/50/987598850.db2.gz GEQRHJMDXIGSBY-FRRDWIJNSA-N 2 0 225.380 1.236 20 0 BDADRP CCOCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC001246204334 987600312 /nfs/dbraw/zinc/60/03/12/987600312.db2.gz FJEUOHHXVKWKTB-QJPTWQEYSA-N 2 0 214.353 1.661 20 0 BDADRP C[NH2+]CC[C@H](C)[NH2+][C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246226918 987622531 /nfs/dbraw/zinc/62/25/31/987622531.db2.gz SMRLALUFODOSSH-IHRRRGAJSA-N 3 0 239.407 1.496 20 0 BDADRP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C[NH3+])CC2)CC[NH2+]1 ZINC001246224044 987623698 /nfs/dbraw/zinc/62/36/98/987623698.db2.gz MTDILRVQCFDAGN-RVMXOQNASA-N 3 0 225.380 1.234 20 0 BDADRP [NH3+]Cc1ccc2ncn(C3CC[NH2+]CC3)c2c1 ZINC001246229532 987625139 /nfs/dbraw/zinc/62/51/39/987625139.db2.gz KBRCVKKUCMJPAF-UHFFFAOYSA-N 2 0 230.315 1.420 20 0 BDADRP CC[C@@H]1C[C@H](N[C@@H]2CC[C@H]([NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246233797 987631635 /nfs/dbraw/zinc/63/16/35/987631635.db2.gz AWTSERPHDZGDCV-ODXJTPSBSA-N 2 0 239.407 1.765 20 0 BDADRP CCCC[C@H]1C[C@H](N[C@@H]2CC[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246236483 987634683 /nfs/dbraw/zinc/63/46/83/987634683.db2.gz LFLJSVXCGUNDHM-IGQOVBAYSA-N 2 0 239.407 1.767 20 0 BDADRP NC(=[NH2+])N(c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001246238989 987637687 /nfs/dbraw/zinc/63/76/87/987637687.db2.gz XBJKGGZMCWOXDC-NSHDSACASA-N 2 0 218.304 1.138 20 0 BDADRP C[C@@H]1CC[C@@H](n2cc3c(n2)CC[C@@H]([NH3+])C3)C[NH2+]1 ZINC001246239531 987638804 /nfs/dbraw/zinc/63/88/04/987638804.db2.gz RSZOZHPERUVJRH-YUSALJHKSA-N 2 0 234.347 1.012 20 0 BDADRP C[C@@H]1CC[C@H](NCC[C@@H]2CCCC[NH2+]2)C[NH2+]1 ZINC001246242692 987644953 /nfs/dbraw/zinc/64/49/53/987644953.db2.gz GUIDFKJUNIKJTG-AGIUHOORSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C[Si](C)(C)C)CC[NH2+]1 ZINC001246265526 987658589 /nfs/dbraw/zinc/65/85/89/987658589.db2.gz HULQKPPLNXKXTO-VHSXEESVSA-N 2 0 200.402 1.594 20 0 BDADRP C[C@@H]1C[C@H](NC[C@@H]2Cc3ccccc3C[NH2+]2)C[NH2+]1 ZINC001246276981 987668846 /nfs/dbraw/zinc/66/88/46/987668846.db2.gz GPKNZODMKIPFGV-UGFHNGPFSA-N 2 0 245.370 1.041 20 0 BDADRP C[C@H]1CC[C@@H](n2nnc3ccc(C[NH3+])cc32)C[NH2+]1 ZINC001246280348 987673591 /nfs/dbraw/zinc/67/35/91/987673591.db2.gz RJCKHXSBMZRWOP-GXSJLCMTSA-N 2 0 245.330 1.203 20 0 BDADRP CC(C)OC(=O)CC[C@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC001246299158 987694011 /nfs/dbraw/zinc/69/40/11/987694011.db2.gz GGHWJTARUQZRSX-QWRGUYRKSA-N 2 0 230.352 1.434 20 0 BDADRP C[C@@H]1CC[C@H](N[C@H]2CNc3ccccc3C2)C[NH2+]1 ZINC001246303147 987700327 /nfs/dbraw/zinc/70/03/27/987700327.db2.gz HHDKUOIJIOVCCS-KWCYVHTRSA-N 2 0 245.370 1.753 20 0 BDADRP CC(C)COCC[C@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC001246305879 987704009 /nfs/dbraw/zinc/70/40/09/987704009.db2.gz OOZOMIAJXQRLEE-RYUDHWBXSA-N 2 0 216.369 1.765 20 0 BDADRP [NH3+][C@H](CN[C@@H]1CCCC[NH2+]C1)Cc1ccccc1 ZINC001246307381 987705090 /nfs/dbraw/zinc/70/50/90/987705090.db2.gz LSMRHWUUORVHTF-LSDHHAIUSA-N 2 0 247.386 1.288 20 0 BDADRP [NH3+]CCCCCCC[NH2+][C@@H]1CCCNC1 ZINC001246308616 987706653 /nfs/dbraw/zinc/70/66/53/987706653.db2.gz RMLKIACNOKOPJH-GFCCVEGCSA-N 2 0 213.369 1.237 20 0 BDADRP CC[C@H]([NH3+])CNC1C[C@@H](CC)[NH2+][C@H](CC)C1 ZINC001246316101 987718654 /nfs/dbraw/zinc/71/86/54/987718654.db2.gz XXRMFVONXTWCSZ-QJPTWQEYSA-N 2 0 227.396 1.623 20 0 BDADRP CC[C@H]([NH3+])CNC1CC[NH+](C(C)C)CC1 ZINC001246315306 987719984 /nfs/dbraw/zinc/71/99/84/987719984.db2.gz SETNLWHMJBIZCG-NSHDSACASA-N 2 0 213.369 1.186 20 0 BDADRP CC[C@@H]([NH3+])CN[C@H](C)CC[NH+](CC)CC ZINC001246317546 987722831 /nfs/dbraw/zinc/72/28/31/987722831.db2.gz MWYLKXUWJBGOKD-VXGBXAGGSA-N 2 0 215.385 1.434 20 0 BDADRP CC[C@@H](C[NH3+])N[C@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246317500 987724044 /nfs/dbraw/zinc/72/40/44/987724044.db2.gz MFTKROFMRXLCJF-QNWHQSFQSA-N 2 0 227.396 1.623 20 0 BDADRP C[C@H](C[NH3+])CN[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246329795 987733532 /nfs/dbraw/zinc/73/35/32/987733532.db2.gz XETDAVRYDCPBOG-OLZOCXBDSA-N 3 0 239.407 1.626 20 0 BDADRP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH2+]CC1 ZINC001246327573 987734060 /nfs/dbraw/zinc/73/40/60/987734060.db2.gz OKQBIAJLMYJFHB-NEPJUHHUSA-N 2 0 240.347 1.060 20 0 BDADRP C[C@@H]1C[C@@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC001246331789 987737282 /nfs/dbraw/zinc/73/72/82/987737282.db2.gz JNTFFYCTQQXZDO-DGTMBMJNSA-N 2 0 237.391 1.390 20 0 BDADRP CC[C@@H]1C[C@@H](N[C@@H]2C[NH2+]CCC2(C)C)CC[NH2+]1 ZINC001246334523 987743753 /nfs/dbraw/zinc/74/37/53/987743753.db2.gz ZXWDGBGUHLEZEF-FRRDWIJNSA-N 2 0 239.407 1.495 20 0 BDADRP C1[C@@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C12CCCCC2 ZINC001246336342 987745121 /nfs/dbraw/zinc/74/51/21/987745121.db2.gz UZISYCIVFARGJP-CHWSQXEVSA-N 2 0 249.402 1.393 20 0 BDADRP C[C@H](Cc1cccc(O)c1)[NH2+]C1CC[NH2+]CC1 ZINC001246345541 987755275 /nfs/dbraw/zinc/75/52/75/987755275.db2.gz FNCAJIFRVYTMJC-LLVKDONJSA-N 2 0 234.343 1.665 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246348788 987755590 /nfs/dbraw/zinc/75/55/90/987755590.db2.gz LCCHRGOYZWIYTR-XQQFMLRXSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@H]1C[C@@H](NCC[C@H]2CCC[N@@H+]2C)CC[NH2+]1 ZINC001246358426 987765162 /nfs/dbraw/zinc/76/51/62/987765162.db2.gz FEKHPZJSEBVIAY-RWMBFGLXSA-N 3 0 225.380 1.201 20 0 BDADRP C[C@@H]1CC[C@H](n2c(C[NH3+])cc3ccncc32)C[NH2+]1 ZINC001246362513 987767082 /nfs/dbraw/zinc/76/70/82/987767082.db2.gz MQQLKIJEJLBNQU-PWSUYJOCSA-N 2 0 244.342 1.808 20 0 BDADRP C[C@H]1C[C@@H](n2c(C[NH3+])cc3ccncc32)CC[NH2+]1 ZINC001246364728 987770614 /nfs/dbraw/zinc/77/06/14/987770614.db2.gz UBIDYNWWFAWFMC-JQWIXIFHSA-N 2 0 244.342 1.808 20 0 BDADRP CC[C@@H]1C[C@H](N[C@H]2C[NH2+][C@H](C)C2)C[C@H](CC)[NH2+]1 ZINC001246363186 987770868 /nfs/dbraw/zinc/77/08/68/987770868.db2.gz QFFNSAXYEYQIOF-PEBLQZBPSA-N 2 0 239.407 1.636 20 0 BDADRP CC(C)(C)[C@H]1C[C@@H](NC(C)(C)CC[NH3+])CC[NH2+]1 ZINC001246363995 987771136 /nfs/dbraw/zinc/77/11/36/987771136.db2.gz RLEUFCCYBHLACJ-NWDGAFQWSA-N 2 0 241.423 1.870 20 0 BDADRP C[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@H]([NH+](C)C)CC2)CN1 ZINC001246366482 987773305 /nfs/dbraw/zinc/77/33/05/987773305.db2.gz JMBXTSXPNYXUMW-FQUUOJAGSA-N 2 0 239.407 1.589 20 0 BDADRP CC[C@H]1CC(N[C@H]2C[NH2+][C@H](C)C2)C[C@H](CC)[NH2+]1 ZINC001246363183 987773530 /nfs/dbraw/zinc/77/35/30/987773530.db2.gz QFFNSAXYEYQIOF-OWTLIXCDSA-N 2 0 239.407 1.636 20 0 BDADRP CC[C@@H]1C[C@@H](N[C@H]2C[NH2+][C@H](C)C2)C[C@H](CC)[NH2+]1 ZINC001246363189 987773542 /nfs/dbraw/zinc/77/35/42/987773542.db2.gz QFFNSAXYEYQIOF-RKQHYHRCSA-N 2 0 239.407 1.636 20 0 BDADRP CCCC1([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CCC1 ZINC001246390862 987778620 /nfs/dbraw/zinc/77/86/20/987778620.db2.gz ZSNDLZDGWRMDQW-LBPRGKRZSA-N 2 0 237.391 1.393 20 0 BDADRP CC(C)CCC[C@@H](C)[NH2+]CCNCC[NH3+] ZINC001246405191 987788821 /nfs/dbraw/zinc/78/88/21/987788821.db2.gz NEWPMHGYFJRGEQ-GFCCVEGCSA-N 2 0 215.385 1.339 20 0 BDADRP CCC1([NH2+][C@H]2CC[NH2+][C@@H](C)C2)CCOCC1 ZINC001246441248 987790383 /nfs/dbraw/zinc/79/03/83/987790383.db2.gz LOQYJJRYHNJYOR-RYUDHWBXSA-N 2 0 226.364 1.676 20 0 BDADRP FC1(F)CCC([NH2+][C@@H]2CC23C[NH2+]C3)CC1 ZINC001246444642 987791339 /nfs/dbraw/zinc/79/13/39/987791339.db2.gz KOYYXXZQFAGDRF-SECBINFHSA-N 2 0 216.275 1.516 20 0 BDADRP Fc1ccc(C2(C[NH2+]C3CC[NH2+]CC3)CC2)nc1 ZINC001246439959 987798389 /nfs/dbraw/zinc/79/83/89/987798389.db2.gz DBLKZRCNUUUNCE-UHFFFAOYSA-N 2 0 249.333 1.594 20 0 BDADRP C[C@@H](Cc1ccccc1F)[NH2+][C@H]1CC12C[NH2+]C2 ZINC001246441805 987800766 /nfs/dbraw/zinc/80/07/66/987800766.db2.gz ACTZPFIEBGEQFX-GWCFXTLKSA-N 2 0 234.318 1.708 20 0 BDADRP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC13C[NH2+]C3)C2 ZINC001246443990 987801965 /nfs/dbraw/zinc/80/19/65/987801965.db2.gz JCSNTVSDPJZDNE-OCCSQVGLSA-N 2 0 244.338 1.114 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCc2ccc(CO)cc2)CC[NH2+]1 ZINC001246446275 987804767 /nfs/dbraw/zinc/80/47/67/987804767.db2.gz LXQJHVBRDOUBEF-WFASDCNBSA-N 2 0 248.370 1.452 20 0 BDADRP [NH3+]CCCNCCC[NH2+]C1CCCCCC1 ZINC001246454451 987809757 /nfs/dbraw/zinc/80/97/57/987809757.db2.gz UBMSFUZQGOQCMM-UHFFFAOYSA-N 2 0 227.396 1.627 20 0 BDADRP C[C@H]1CC[C@H]([NH2+]CCCNCCC[NH3+])C1 ZINC001246453834 987810960 /nfs/dbraw/zinc/81/09/60/987810960.db2.gz PYVRYOSAMDOOMH-RYUDHWBXSA-N 2 0 213.369 1.093 20 0 BDADRP CCCC[C@H](C)[NH2+]CCCNCCC[NH3+] ZINC001246455395 987813034 /nfs/dbraw/zinc/81/30/34/987813034.db2.gz WVMVOVJPGZIJOW-LBPRGKRZSA-N 2 0 215.385 1.483 20 0 BDADRP [NH3+]CCCNCCC[NH2+]C1Cc2ccccc2C1 ZINC001246455058 987814063 /nfs/dbraw/zinc/81/40/63/987814063.db2.gz WFPDEYQTISMQRQ-UHFFFAOYSA-N 2 0 247.386 1.072 20 0 BDADRP CC[C@@]1(CN[C@@H]2CC[C@H](C)[NH2+]C2)CCC[NH2+]1 ZINC001246458142 987817377 /nfs/dbraw/zinc/81/73/77/987817377.db2.gz WSIMJLVOPMNEQE-XQQFMLRXSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@]1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[NH2+]1 ZINC001246457330 987817465 /nfs/dbraw/zinc/81/74/65/987817465.db2.gz SIHTVKTYQBSMKG-ZGVCCVRISA-N 2 0 223.364 1.001 20 0 BDADRP C[NH2+][C@H]1C[C@H](N[C@@H]2CC[NH2+][C@@H](C(C)C)C2)C1 ZINC001246460461 987818431 /nfs/dbraw/zinc/81/84/31/987818431.db2.gz IHRBZBGNZDFQJU-FDYHWXHSSA-N 2 0 225.380 1.103 20 0 BDADRP CC[C@]1(N[C@@H]2CC[NH2+][C@@H](C(C)C)C2)CC[NH2+]C1 ZINC001246460808 987820513 /nfs/dbraw/zinc/82/05/13/987820513.db2.gz NRMNKHXPKPGIMD-MCIONIFRSA-N 2 0 239.407 1.495 20 0 BDADRP CC[C@]1(NC2C[C@@H](C)[NH2+][C@H](C)C2)CC[NH2+]C1 ZINC001246462467 987823074 /nfs/dbraw/zinc/82/30/74/987823074.db2.gz SSMMDBZWTISUHN-WZRBSPASSA-N 2 0 225.380 1.247 20 0 BDADRP CC[C@@]1(NC2C[C@@H](C)[NH2+][C@H](C)C2)CC[NH2+]C1 ZINC001246462466 987823848 /nfs/dbraw/zinc/82/38/48/987823848.db2.gz SSMMDBZWTISUHN-NQBHXWOUSA-N 2 0 225.380 1.247 20 0 BDADRP CC(C)(C)[C@H]1C[C@H](N[C@H]2C[C@@](C)([NH3+])C2)CC[NH2+]1 ZINC001246466621 987826141 /nfs/dbraw/zinc/82/61/41/987826141.db2.gz XDGMBPRMPOEMRN-BYNQJWBRSA-N 2 0 239.407 1.623 20 0 BDADRP O=C1Nc2ccccc2[C@H]1C[NH2+]C1CC[NH2+]CC1 ZINC001246474130 987830746 /nfs/dbraw/zinc/83/07/46/987830746.db2.gz LBMKMMCANCPLOR-GFCCVEGCSA-N 2 0 245.326 1.064 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001246475461 987832544 /nfs/dbraw/zinc/83/25/44/987832544.db2.gz GGTUAUIAOWGXHW-AAEUAGOBSA-N 3 0 243.370 1.008 20 0 BDADRP CC(C)[C@@H]1C[C@H](N[C@H]2CCCC[C@H]2[NH3+])CC[NH2+]1 ZINC001246478034 987835745 /nfs/dbraw/zinc/83/57/45/987835745.db2.gz MOKKEHHXEVMFMS-MQYQWHSLSA-N 2 0 239.407 1.623 20 0 BDADRP CC[C@@H]1C[C@@H](N[C@H]2CCCC[C@H]2[NH3+])CC[NH2+]1 ZINC001246478350 987837064 /nfs/dbraw/zinc/83/70/64/987837064.db2.gz NZKOJHARIOAQOQ-XQHKEYJVSA-N 2 0 225.380 1.377 20 0 BDADRP CO[C@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2[NH3+])C1 ZINC001246479924 987837740 /nfs/dbraw/zinc/83/77/40/987837740.db2.gz WHHVMMDULLOLCW-RVMXOQNASA-N 2 0 226.364 1.804 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCc2ccc(C[NH3+])cc2)CC[NH2+]1 ZINC001246482711 987841556 /nfs/dbraw/zinc/84/15/56/987841556.db2.gz IHSPDFSRKVRREO-IUODEOHRSA-N 3 0 247.386 1.418 20 0 BDADRP C[C@H]1C[NH2+]C[C@@H](NC2C[C@H](C)[NH2+][C@@H](C)C2)C1 ZINC001246493800 987846619 /nfs/dbraw/zinc/84/66/19/987846619.db2.gz GAENERHWSJIGFQ-BLFANLJRSA-N 2 0 225.380 1.103 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)C1CC[NH2+]CC1 ZINC001246498894 987852885 /nfs/dbraw/zinc/85/28/85/987852885.db2.gz JWYWPGBWRMTABB-DMDPSCGWSA-N 3 0 225.380 1.105 20 0 BDADRP COC(=O)[C@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246499422 987853724 /nfs/dbraw/zinc/85/37/24/987853724.db2.gz YDLHFUPTYDIEFY-NOOOWODRSA-N 2 0 240.347 1.058 20 0 BDADRP CC(C)C[C@@H](C[NH3+])N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246501688 987856859 /nfs/dbraw/zinc/85/68/59/987856859.db2.gz BQMYMMXNOAOHES-TUAOUCFPSA-N 2 0 213.369 1.090 20 0 BDADRP CC(C)C[C@@H](C[NH3+])N[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246507836 987861924 /nfs/dbraw/zinc/86/19/24/987861924.db2.gz ZKKZAVBTCZTRFZ-CRWXNKLISA-N 2 0 239.407 1.623 20 0 BDADRP CC[C@@H]1C[C@@H](N2CC([NH2+]C)C2)C[C@H](CC)[NH2+]1 ZINC001246523519 987876171 /nfs/dbraw/zinc/87/61/71/987876171.db2.gz NDDIUAPPOKXABP-PTEHBNRSSA-N 2 0 225.380 1.199 20 0 BDADRP CC[C@@H]1C[C@@H](N2CCC[NH2+]CC2)C[C@H](CC)[NH2+]1 ZINC001246525953 987878054 /nfs/dbraw/zinc/87/80/54/987878054.db2.gz UJJNNZLXWWIWOX-BTTYYORXSA-N 2 0 239.407 1.591 20 0 BDADRP CCCC[C@@H]1C[C@@H](N2CC[C@](C)([NH3+])C2)CC[NH2+]1 ZINC001246526265 987878495 /nfs/dbraw/zinc/87/84/95/987878495.db2.gz ACQZPXFDIXPAOP-RDBSUJKOSA-N 2 0 239.407 1.720 20 0 BDADRP C[C@@H]1CC([NH+]2CCC(C[NH3+])CC2)C[C@@H](C)[NH2+]1 ZINC001246537143 987895486 /nfs/dbraw/zinc/89/54/86/987895486.db2.gz FJNOBYRGVJPWOW-GHMZBOCLSA-N 3 0 225.380 1.186 20 0 BDADRP CC1(C)CC[C@H]([N@@H+]2CCC[C@](O)(C[NH3+])CC2)C1 ZINC001246539141 987896619 /nfs/dbraw/zinc/89/66/19/987896619.db2.gz AZSKVKPSTMARBQ-GXTWGEPZSA-N 2 0 240.391 1.741 20 0 BDADRP C[NH2+]C1CCC([N@@H+]2CCC[C@@H]([NH3+])CC2)CC1 ZINC001246539063 987897941 /nfs/dbraw/zinc/89/79/41/987897941.db2.gz AOXXUCHCNWMMAO-PNESKVBLSA-N 3 0 225.380 1.330 20 0 BDADRP [NH3+]CC1CC[NH+]([C@H]2Cc3cccc(F)c3C2)CC1 ZINC001246539422 987899685 /nfs/dbraw/zinc/89/96/85/987899685.db2.gz RRSVMMBMQCVYBD-ZDUSSCGKSA-N 2 0 248.345 1.964 20 0 BDADRP CC(C)[C@@H]1C[C@@H]([NH+]2CCC(C[NH3+])CC2)CC[NH2+]1 ZINC001246539504 987899784 /nfs/dbraw/zinc/89/97/84/987899784.db2.gz SBIZGIRWRNRKDB-KBPBESRZSA-N 3 0 239.407 1.434 20 0 BDADRP C[C@@H]1CC(N2CCCC[C@H]2C[NH3+])C[C@@H](C)[NH2+]1 ZINC001246540242 987901133 /nfs/dbraw/zinc/90/11/33/987901133.db2.gz MFWLTRZPUUBRJH-UTUOFQBUSA-N 2 0 225.380 1.329 20 0 BDADRP C[C@@H]1C[C@@H](N2CCCC[C@H]2C[NH3+])C[C@H](C)[NH2+]1 ZINC001246540241 987902470 /nfs/dbraw/zinc/90/24/70/987902470.db2.gz MFWLTRZPUUBRJH-RNJOBUHISA-N 2 0 225.380 1.329 20 0 BDADRP CCOC(=O)CC[C@H](C)[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001246539204 987904213 /nfs/dbraw/zinc/90/42/13/987904213.db2.gz CNRODPLDRFNTPW-RYUDHWBXSA-N 2 0 242.363 1.531 20 0 BDADRP CC[C@@H]1C[C@H](N2[C@@H](C)CC[C@H]2C[NH3+])CC[NH2+]1 ZINC001246540587 987905013 /nfs/dbraw/zinc/90/50/13/987905013.db2.gz VTHFXESKLYAIRH-LOWDOPEQSA-N 2 0 225.380 1.329 20 0 BDADRP [NH3+][C@H]1CCCN([C@@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC001246539948 987905175 /nfs/dbraw/zinc/90/51/75/987905175.db2.gz JBYGNDFUGJQPSW-QWHCGFSZSA-N 2 0 237.391 1.474 20 0 BDADRP CC1(C)C[C@H](N2CCC[C@@H]([NH3+])CC2)CC[NH2+]1 ZINC001246540118 987905484 /nfs/dbraw/zinc/90/54/84/987905484.db2.gz FOFMFTPCMRAPPR-VXGBXAGGSA-N 2 0 225.380 1.330 20 0 BDADRP C[C@H]1CC[C@@H](C[NH3+])N1[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246540049 987905675 /nfs/dbraw/zinc/90/56/75/987905675.db2.gz UNJBTMABSCOMJO-IEECTRCBSA-N 2 0 223.364 1.081 20 0 BDADRP CCC[C@@H](CC)[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246541924 987909252 /nfs/dbraw/zinc/90/92/52/987909252.db2.gz HRABNCKTGFPSKG-OLZOCXBDSA-N 2 0 228.380 1.741 20 0 BDADRP C[C@H]1C[C@H]([N@@H+]2CCC[C@@H]([NH3+])CC2)CCO1 ZINC001246543101 987909984 /nfs/dbraw/zinc/90/99/84/987909984.db2.gz TVLOEZJUKZTTEZ-QJPTWQEYSA-N 2 0 212.337 1.367 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246544836 987917851 /nfs/dbraw/zinc/91/78/51/987917851.db2.gz ZSSZPCQUGAFDPD-BFHYXJOUSA-N 2 0 241.423 1.633 20 0 BDADRP CC[C@@H]1C[C@@H]([N@@H+]2CC[C@@H]([NH3+])[C@H]2C)CCO1 ZINC001246552705 987952366 /nfs/dbraw/zinc/95/23/66/987952366.db2.gz YXKZYXSYCOMAKD-WRWGMCAJSA-N 2 0 212.337 1.366 20 0 BDADRP CC1(C)C[C@H]([N@@H+]2CCC[C@@](C)([NH3+])CC2)CO1 ZINC001246551699 987953482 /nfs/dbraw/zinc/95/34/82/987953482.db2.gz MLQZNXIRPRXCIN-WCQYABFASA-N 2 0 226.364 1.757 20 0 BDADRP C[NH2+]C[C@@H]1CCCN([C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246551957 987955230 /nfs/dbraw/zinc/95/52/30/987955230.db2.gz SSYCWFCMIGGAKC-RWMBFGLXSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@H]1CC[N@@H+](C2CC[NH2+]CC2)CC[C@@H]1C[NH3+] ZINC001246553965 987958499 /nfs/dbraw/zinc/95/84/99/987958499.db2.gz ALZIPVXPWIIPRF-NWDGAFQWSA-N 3 0 225.380 1.045 20 0 BDADRP C[NH2+]C[C@H]1CCCN(C2C[C@@H](C)[NH2+][C@H](C)C2)C1 ZINC001246554338 987961002 /nfs/dbraw/zinc/96/10/02/987961002.db2.gz ZSUGJWIEHREVLM-JHJVBQTASA-N 2 0 239.407 1.447 20 0 BDADRP C[NH2+]C[C@@H]1CCCN([C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)C1 ZINC001246554336 987962244 /nfs/dbraw/zinc/96/22/44/987962244.db2.gz ZSUGJWIEHREVLM-CRWXNKLISA-N 2 0 239.407 1.447 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+]Cc1ccccc1N(C)C ZINC001117953117 987969461 /nfs/dbraw/zinc/96/94/61/987969461.db2.gz AFDYUGJPENBINL-GFCCVEGCSA-N 2 0 235.375 1.840 20 0 BDADRP C[C@@H](CC1CC1)[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246556872 987971406 /nfs/dbraw/zinc/97/14/06/987971406.db2.gz GTCGAGMFQQBNEV-AAEUAGOBSA-N 2 0 226.364 1.351 20 0 BDADRP C[C@@H]1CC[N@@H+]([C@H]2CCSC2)CC[C@@H]1C[NH3+] ZINC001246557244 987976429 /nfs/dbraw/zinc/97/64/29/987976429.db2.gz KDGVICAYJWFDRK-UTUOFQBUSA-N 2 0 228.405 1.799 20 0 BDADRP C[C@@H]1C[N@@H+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C[C@H]1N ZINC001246559808 987986247 /nfs/dbraw/zinc/98/62/47/987986247.db2.gz FBRJKWPLMSXIGB-AAVRWANBSA-N 2 0 237.391 1.188 20 0 BDADRP CC1(C)C[C@H]([N@@H+]2CCC[C@](F)(C[NH3+])CC2)CO1 ZINC001246562805 988004136 /nfs/dbraw/zinc/00/41/36/988004136.db2.gz WKQMGLKQJGZRKC-WCQYABFASA-N 2 0 244.354 1.707 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH3+])N([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246563058 988007872 /nfs/dbraw/zinc/00/78/72/988007872.db2.gz BDIGKGYSBQTSRC-LPWJVIDDSA-N 2 0 225.380 1.186 20 0 BDADRP C[C@@H]1C[N@@H+]([C@@H]2COC(C)(C)C2)CCC[C@H]1C[NH3+] ZINC001246564492 988012368 /nfs/dbraw/zinc/01/23/68/988012368.db2.gz XHXDAEVQWMTHBR-AGIUHOORSA-N 2 0 240.391 1.861 20 0 BDADRP C[C@@H]1C[C@H](N2CCC[C@H](C[NH3+])[C@H]2C)CC[NH2+]1 ZINC001246564358 988014132 /nfs/dbraw/zinc/01/41/32/988014132.db2.gz NBMJRJWIRBNIRX-FDYHWXHSSA-N 3 0 225.380 1.186 20 0 BDADRP CC[N@@H+]1CCC[C@H](CN[C@H]2CCC[C@H]2C[NH3+])C1 ZINC001118118012 988019754 /nfs/dbraw/zinc/01/97/54/988019754.db2.gz CEFBWRLHYBZDGH-RDBSUJKOSA-N 3 0 239.407 1.435 20 0 BDADRP C[C@H]1C[C@H]([N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)CC[NH2+]1 ZINC001246563943 988020924 /nfs/dbraw/zinc/02/09/24/988020924.db2.gz YHIVVAFXSXOVBQ-XJFOESAGSA-N 3 0 239.407 1.434 20 0 BDADRP C[C@@H]1C[N@@H+]([C@H]2COC(C)(C)C2)CCC[C@@H]1C[NH3+] ZINC001246564497 988021162 /nfs/dbraw/zinc/02/11/62/988021162.db2.gz XHXDAEVQWMTHBR-JHJVBQTASA-N 2 0 240.391 1.861 20 0 BDADRP C[C@@H]1C[N@@H+]([C@H]2C[C@@H]3[C@H](C2)C3(C)C)C[C@H]1[NH3+] ZINC001246567664 988025141 /nfs/dbraw/zinc/02/51/41/988025141.db2.gz NJEJPQCEZOIWKV-RMPHRYRLSA-N 2 0 208.349 1.700 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1ccncc1 ZINC001118121814 988028682 /nfs/dbraw/zinc/02/86/82/988028682.db2.gz IWJVPGHLQRXLSW-GHMZBOCLSA-N 2 0 207.321 1.730 20 0 BDADRP C[C@@H]1CC(N2CC[C@@H]([NH3+])[C@@H](F)CC2)C[C@@H](C)[NH2+]1 ZINC001246566267 988029412 /nfs/dbraw/zinc/02/94/12/988029412.db2.gz FTDXMUBLKINTGQ-VCDKRKBESA-N 2 0 243.370 1.277 20 0 BDADRP C[C@@H]1CC(N2C[C@@H](C)CC[C@H]2C[NH3+])C[C@@H](C)[NH2+]1 ZINC001246573126 988061095 /nfs/dbraw/zinc/06/10/95/988061095.db2.gz YSVJYLFLWYNIQP-LOWDOPEQSA-N 2 0 239.407 1.575 20 0 BDADRP C[NH2+]C1CCC(N2C[C@H]([NH3+])CC(F)(F)C2)CC1 ZINC001246573831 988068967 /nfs/dbraw/zinc/06/89/67/988068967.db2.gz NAZDEMASRNKTEX-KPPDAEKUSA-N 2 0 247.333 1.185 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CC[C@](C)(CF)C2)CC[NH2+]1 ZINC001246573973 988069180 /nfs/dbraw/zinc/06/91/80/988069180.db2.gz HEACTTYDCUMSDT-IJLUTSLNSA-N 2 0 214.328 1.808 20 0 BDADRP CC[N@@H+]1CC[C@H](N2CCCC[C@](F)(C[NH3+])C2)C1 ZINC001246574116 988074749 /nfs/dbraw/zinc/07/47/49/988074749.db2.gz DCFKPTCTIFLUAG-STQMWFEESA-N 2 0 243.370 1.234 20 0 BDADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+]CC(C)C ZINC001322034155 988083010 /nfs/dbraw/zinc/08/30/10/988083010.db2.gz HUVYMVXQVKRHSL-LBPRGKRZSA-N 2 0 243.395 1.079 20 0 BDADRP CCCCCC[C@@H](CC)[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246578205 988090376 /nfs/dbraw/zinc/09/03/76/988090376.db2.gz GTCPLXZXBROAEL-BFHYXJOUSA-N 2 0 242.407 1.987 20 0 BDADRP CCOCCC[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118197859 988094834 /nfs/dbraw/zinc/09/48/34/988094834.db2.gz FAVRXUPOZGXQQD-UHFFFAOYSA-N 2 0 240.391 1.879 20 0 BDADRP CC[NH+]1CCC(N2CC[C@@H](F)[C@@H]([NH3+])CC2)CC1 ZINC001246578735 988097206 /nfs/dbraw/zinc/09/72/06/988097206.db2.gz BUYVQBCQBNHQGS-OLZOCXBDSA-N 2 0 243.370 1.232 20 0 BDADRP COC[C@H]1CCCC[N@@H+]1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246579093 988102265 /nfs/dbraw/zinc/10/22/65/988102265.db2.gz APQYYBLZDVJQJE-JHJVBQTASA-N 2 0 226.364 1.628 20 0 BDADRP C[C@H]1C[C@@H](N2CCCC[C@](F)(C[NH3+])C2)CC[NH2+]1 ZINC001246582181 988108716 /nfs/dbraw/zinc/10/87/16/988108716.db2.gz RIHXGEIVJAFOHR-AVGNSLFASA-N 2 0 243.370 1.280 20 0 BDADRP CCOCC[C@@H](C)[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246581991 988109060 /nfs/dbraw/zinc/10/90/60/988109060.db2.gz LYSFVZJDJXJBQH-CHWSQXEVSA-N 2 0 228.380 1.862 20 0 BDADRP CC(C)C[C@H](C)C[C@H](C)[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246583029 988124439 /nfs/dbraw/zinc/12/44/39/988124439.db2.gz IJRSNOVVRGQGIN-XDQVBPFNSA-N 2 0 242.407 1.699 20 0 BDADRP CC1(C)CCC([N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246582992 988125472 /nfs/dbraw/zinc/12/54/72/988125472.db2.gz IADOLAGIJZQHPL-CMPLNLGQSA-N 2 0 226.364 1.207 20 0 BDADRP C[C@H]1CC(N2CCCC[C@H]([NH3+])C2)C[C@H](C)[NH2+]1 ZINC001246585797 988133257 /nfs/dbraw/zinc/13/32/57/988133257.db2.gz JGABZOMRHPUPLW-SRVKXCTJSA-N 2 0 225.380 1.329 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CC(C)(C)C1 ZINC001246586559 988141680 /nfs/dbraw/zinc/14/16/80/988141680.db2.gz RGSBJDUSWQZTGG-MROQNXINSA-N 2 0 240.391 1.453 20 0 BDADRP C[NH2+][C@H](C)CCNC(=O)[C@@H]([NH3+])C1CCCCC1 ZINC001118256390 988154795 /nfs/dbraw/zinc/15/47/95/988154795.db2.gz SCGSYNHBBFAKES-PWSUYJOCSA-N 2 0 241.379 1.008 20 0 BDADRP CC1(C)[C@@H]2C[C@H]([NH+]3CC(C)(C[NH3+])C3)C[C@@H]21 ZINC001246587825 988154125 /nfs/dbraw/zinc/15/41/25/988154125.db2.gz AHAISYXSSDEOAS-JGPRNRPPSA-N 2 0 208.349 1.702 20 0 BDADRP CC1(C)[C@@H]2C[C@@H]([NH+]3CC(C)(C[NH3+])C3)C[C@@H]21 ZINC001246587832 988155373 /nfs/dbraw/zinc/15/53/73/988155373.db2.gz AHAISYXSSDEOAS-RTCCRHLQSA-N 2 0 208.349 1.702 20 0 BDADRP CC1(C[NH3+])C[NH+](C2CCC3(COC3)CC2)C1 ZINC001246600163 988208946 /nfs/dbraw/zinc/20/89/46/988208946.db2.gz RTANXDXYIBOIRG-UHFFFAOYSA-N 2 0 224.348 1.226 20 0 BDADRP CC1(C[NH3+])C[NH+]([C@@H]2CCOC(C)(C)C2)C1 ZINC001246600662 988209032 /nfs/dbraw/zinc/20/90/32/988209032.db2.gz UBZGNYVATSMBPO-SNVBAGLBSA-N 2 0 212.337 1.225 20 0 BDADRP C[C@H]1C[C@H](N2CCC3(CC([NH3+])C3)CC2)CC[NH2+]1 ZINC001246603876 988216473 /nfs/dbraw/zinc/21/64/73/988216473.db2.gz PALRBBWQXYWBPS-WCQYABFASA-N 2 0 237.391 1.330 20 0 BDADRP CC(C)(C)[C@H]1C[C@@H](N2CCC23C[NH2+]C3)CC[NH2+]1 ZINC001246609413 988228386 /nfs/dbraw/zinc/22/83/86/988228386.db2.gz YEEZGIGMSDPBBX-NWDGAFQWSA-N 2 0 237.391 1.201 20 0 BDADRP C[C@H]1C[C@H]([N@@H+]2CCC[C@]23CCC[NH2+]C3)CCO1 ZINC001246609700 988231308 /nfs/dbraw/zinc/23/13/08/988231308.db2.gz MSMAHNJHACJBHL-MJBXVCDLSA-N 2 0 238.375 1.772 20 0 BDADRP C[NH2+]CC[C@@H](C)N1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001246609745 988243415 /nfs/dbraw/zinc/24/34/15/988243415.db2.gz JOQYHKGMFMTPEN-KGLIPLIRSA-N 2 0 239.407 1.450 20 0 BDADRP C[C@@H]1C[C@H](N2CCC[C@@]3(CCC[NH2+]C3)C2)C[NH2+]1 ZINC001246614440 988245539 /nfs/dbraw/zinc/24/55/39/988245539.db2.gz SZEQNJCZVBGQNW-HZSPNIEDSA-N 2 0 237.391 1.202 20 0 BDADRP CC[C@@H](CC(C)C)[N@@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246621778 988264333 /nfs/dbraw/zinc/26/43/33/988264333.db2.gz GJENRDXLLGQODR-HZSPNIEDSA-N 2 0 240.391 1.731 20 0 BDADRP C1CC2(C1)CC[NH+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246619311 988274571 /nfs/dbraw/zinc/27/45/71/988274571.db2.gz LQVBMYIDXWDVQJ-ZDUSSCGKSA-N 2 0 249.402 1.347 20 0 BDADRP [NH3+]CC1(F)CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246624039 988276453 /nfs/dbraw/zinc/27/64/53/988276453.db2.gz DGAMSWFGWMLUPN-GDNZZTSVSA-N 3 0 241.354 1.032 20 0 BDADRP CSCC[C@@H](C)[NH+]1CCC(F)(C[NH3+])CC1 ZINC001246625795 988282083 /nfs/dbraw/zinc/28/20/83/988282083.db2.gz HKKWZZAOVXPWPY-SNVBAGLBSA-N 2 0 234.384 1.891 20 0 BDADRP CC[C@@H]1C[C@H]([NH+]2CCC(F)(C[NH3+])CC2)CC[NH2+]1 ZINC001246630099 988301916 /nfs/dbraw/zinc/30/19/16/988301916.db2.gz RSDSRLLIUNORGA-VXGBXAGGSA-N 3 0 243.370 1.280 20 0 BDADRP C1C[NH2+][C@@]2(C1)CCCN([C@H]1CCC[NH2+]C1)CC2 ZINC001246629668 988308414 /nfs/dbraw/zinc/30/84/14/988308414.db2.gz FVPPOIWHHAUHGT-KBPBESRZSA-N 2 0 237.391 1.347 20 0 BDADRP CC[C@H]1C[C@@H]([NH+]2CCC(F)(C[NH3+])CC2)CC[NH2+]1 ZINC001246630098 988308434 /nfs/dbraw/zinc/30/84/34/988308434.db2.gz RSDSRLLIUNORGA-RYUDHWBXSA-N 3 0 243.370 1.280 20 0 BDADRP C[NH2+]CC[C@@H](C)N1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001246637487 988326386 /nfs/dbraw/zinc/32/63/86/988326386.db2.gz ZEOZBRQXGYVRMU-KGLIPLIRSA-N 2 0 239.407 1.593 20 0 BDADRP C1CC12CCC([N@@H+]1CCN[C@@]3(CC[NH2+]C3)C1)CC2 ZINC001246637873 988329078 /nfs/dbraw/zinc/32/90/78/988329078.db2.gz AEICSNSHEFBGKO-OAHLLOKOSA-N 2 0 249.402 1.347 20 0 BDADRP FC1(F)C[C@H]2C[N@H+]([C@@H]3CCC[NH2+]C3)C[C@H]2C1 ZINC001246640454 988337222 /nfs/dbraw/zinc/33/72/22/988337222.db2.gz UIEUUAJWSQIPAZ-OUAUKWLOSA-N 2 0 230.302 1.716 20 0 BDADRP C1C[C@@H]2[C@@H](CC[N@@H+]2C2CCC3(CC[NH2+]C3)CC2)[NH2+]1 ZINC001246638815 988337503 /nfs/dbraw/zinc/33/75/03/988337503.db2.gz UKTILOGBVFWTDO-PIOWNMBXSA-N 3 0 249.402 1.345 20 0 BDADRP CC1(C)[C@@H]2C[C@H]([N@@H+]3CCN[C@@]4(CC[NH2+]C4)C3)C[C@@H]21 ZINC001246645349 988362677 /nfs/dbraw/zinc/36/26/77/988362677.db2.gz UMPMPPXRRSZKEW-QVHKTLOISA-N 2 0 249.402 1.058 20 0 BDADRP C[C@H]1C[C@H]([N@@H+]2CCCC3(COC3)C2)CC[NH2+]1 ZINC001246645516 988363726 /nfs/dbraw/zinc/36/37/26/988363726.db2.gz BYHCNMRWUGTRTL-NWDGAFQWSA-N 2 0 224.348 1.239 20 0 BDADRP CC1(C)[C@@H]2C[C@@H]([N@@H+]3CCN[C@@]4(CC[NH2+]C4)C3)C[C@@H]21 ZINC001246645346 988364156 /nfs/dbraw/zinc/36/41/56/988364156.db2.gz UMPMPPXRRSZKEW-GUIRCDHDSA-N 2 0 249.402 1.058 20 0 BDADRP CC[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001322683245 988366397 /nfs/dbraw/zinc/36/63/97/988366397.db2.gz PUHWDPKZNMYKTP-GFCCVEGCSA-N 2 0 243.395 1.031 20 0 BDADRP C1CCC2(CC[NH2+]CC2)N([C@@H]2CCC[NH2+]C2)C1 ZINC001246648621 988370917 /nfs/dbraw/zinc/37/09/17/988370917.db2.gz RAPBWOLBYJVQKS-CYBMUJFWSA-N 2 0 237.391 1.347 20 0 BDADRP C1C[C@@H](N2CCC([C@@H]3CCCC[NH2+]3)CC2)C[NH2+]1 ZINC001246655046 988376533 /nfs/dbraw/zinc/37/65/33/988376533.db2.gz JCLAWVJTUGHLGW-KGLIPLIRSA-N 2 0 237.391 1.202 20 0 BDADRP C1C[C@@H]2CC[N@@H+]([C@H]3CCC[NH2+]C3)C[C@@H]2C1 ZINC001246657437 988382331 /nfs/dbraw/zinc/38/23/31/988382331.db2.gz QMAHJCPQQJIMTA-AGIUHOORSA-N 2 0 208.349 1.860 20 0 BDADRP C1[C@@H]2[C@H]1[NH2+]CCN2[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246659167 988389800 /nfs/dbraw/zinc/38/98/00/988389800.db2.gz FNIZJQCLYOQGGD-HZSPNIEDSA-N 2 0 249.402 1.487 20 0 BDADRP [NH3+][C@@]12C[C@@H]1CCN(C1CC[NH+](C3CC3)CC1)C2 ZINC001246662116 988400893 /nfs/dbraw/zinc/40/08/93/988400893.db2.gz WAMNAWQURYEHPO-SMDDNHRTSA-N 2 0 235.375 1.036 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)CC[NH2+]1 ZINC001246670077 988412022 /nfs/dbraw/zinc/41/20/22/988412022.db2.gz WFFAZSYEPLDAFS-DBIOUOCHSA-N 2 0 246.301 1.093 20 0 BDADRP C1C[C@H]2CN([C@H]3CCC4(C3)CC[NH2+]CC4)C[C@@H]1[NH2+]2 ZINC001246674182 988417820 /nfs/dbraw/zinc/41/78/20/988417820.db2.gz NFRSHUACNGLQBI-MJBXVCDLSA-N 2 0 249.402 1.345 20 0 BDADRP CCCC[C@H]1C[C@H](N2C[C@@H]3C[C@H]2C[NH2+]3)CC[NH2+]1 ZINC001246675280 988423084 /nfs/dbraw/zinc/42/30/84/988423084.db2.gz FGCMHDHUGQGTMO-FQUUOJAGSA-N 2 0 237.391 1.343 20 0 BDADRP CN(CCC[NH3+])[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246681792 988428287 /nfs/dbraw/zinc/42/82/87/988428287.db2.gz QPPRSTXZORJQRV-LSDHHAIUSA-N 2 0 247.386 1.760 20 0 BDADRP CCCC[C@H]1C[C@H](N(C)CCC[NH3+])CC[NH2+]1 ZINC001246682577 988433367 /nfs/dbraw/zinc/43/33/67/988433367.db2.gz WEIUPBHQEWHWBS-QWHCGFSZSA-N 2 0 227.396 1.578 20 0 BDADRP CN(CCC[NH3+])[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246682123 988433530 /nfs/dbraw/zinc/43/35/30/988433530.db2.gz SEBXVJGPVYSKFC-RYUDHWBXSA-N 2 0 227.396 1.434 20 0 BDADRP C[C@@H]1C[C@@H](N2C[C@H](C)[N@H+](C)C[C@H]2C)CC[NH2+]1 ZINC001246687613 988435914 /nfs/dbraw/zinc/43/59/14/988435914.db2.gz AWJJZOAAYKLIJU-XQHKEYJVSA-N 2 0 225.380 1.151 20 0 BDADRP CC[C@@H]1C[C@@H](N2C[C@H](C)[NH2+]C[C@H]2C)CC[NH2+]1 ZINC001246690953 988436242 /nfs/dbraw/zinc/43/62/42/988436242.db2.gz ONAMAWVCFWITQD-LOWDOPEQSA-N 2 0 225.380 1.199 20 0 BDADRP C[C@@H]1C[NH2+][C@@H](C)CN1[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246689503 988439464 /nfs/dbraw/zinc/43/94/64/988439464.db2.gz KBVLQDBTKOGHNF-MEBFFEOJSA-N 2 0 237.391 1.342 20 0 BDADRP CC(C)[C@@H]1C[NH2+]CCN1C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246696892 988445311 /nfs/dbraw/zinc/44/53/11/988445311.db2.gz RAOMZORNNYESOW-OBJOEFQTSA-N 2 0 239.407 1.445 20 0 BDADRP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(C)C)[NH+](C)C ZINC001498115102 988454852 /nfs/dbraw/zinc/45/48/52/988454852.db2.gz OFZGWKCVZFAQEX-RYUDHWBXSA-N 2 0 243.395 1.077 20 0 BDADRP C[NH2+]Cc1ccc(N[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC001246777158 988456560 /nfs/dbraw/zinc/45/65/60/988456560.db2.gz KATZKJKPHAVHAD-BXUZGUMPSA-N 2 0 233.359 1.958 20 0 BDADRP CC[C@@H]1CNCC[N@@H+]1C1CCC([NH2+]C)CC1 ZINC001246796439 988473407 /nfs/dbraw/zinc/47/34/07/988473407.db2.gz BBPVWWCLVZWWTC-OTTFEQOBSA-N 2 0 225.380 1.201 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246805230 988486856 /nfs/dbraw/zinc/48/68/56/988486856.db2.gz RMBTXJXQKLGGJI-RIDRBNGDSA-N 3 0 235.375 1.224 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2CC[NH2+]CC2(C)C)CC[NH2+]1 ZINC001246809986 988488484 /nfs/dbraw/zinc/48/84/84/988488484.db2.gz LHPGKERPJTXYDZ-OLZOCXBDSA-N 2 0 239.407 1.447 20 0 BDADRP C[C@@H]1C[C@@H]([N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)CC[NH2+]1 ZINC001246808764 988490281 /nfs/dbraw/zinc/49/02/81/988490281.db2.gz PCBCDGGCJRBERP-LBELIVKGSA-N 3 0 223.364 1.081 20 0 BDADRP C[C@@H]1C[C@H]([N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)CC[NH2+]1 ZINC001246808766 988490936 /nfs/dbraw/zinc/49/09/36/988490936.db2.gz PCBCDGGCJRBERP-UJPOAAIJSA-N 3 0 223.364 1.081 20 0 BDADRP CC1(C)CN([C@@H]2CC[NH2+]C3(CCC3)C2)CC[NH2+]1 ZINC001246818221 988500505 /nfs/dbraw/zinc/50/05/05/988500505.db2.gz XYUHPLJJZYDRDN-GFCCVEGCSA-N 2 0 237.391 1.345 20 0 BDADRP C1[NH2+]CC12C[C@@H]([NH+]1CCCCCCC1)CCN2 ZINC001246815687 988502162 /nfs/dbraw/zinc/50/21/62/988502162.db2.gz ZZKZVMFNGRSQGQ-ZDUSSCGKSA-N 2 0 237.391 1.347 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N1CC[NH2+]C(C)(C)C1 ZINC001246816266 988502754 /nfs/dbraw/zinc/50/27/54/988502754.db2.gz IDZUDZMVZFTGDO-CYBMUJFWSA-N 2 0 241.423 1.791 20 0 BDADRP CC(=O)C1CC[NH+]([C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246816240 988503497 /nfs/dbraw/zinc/50/34/97/988503497.db2.gz HZRWYZSSHJAOOR-GWCFXTLKSA-N 2 0 224.348 1.428 20 0 BDADRP C[NH2+][C@@H]1CCN([C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)C1 ZINC001246815874 988505304 /nfs/dbraw/zinc/50/53/04/988505304.db2.gz YPTHNPJWJKHXLC-FRRDWIJNSA-N 2 0 239.407 1.447 20 0 BDADRP CC(C)C[C@H]1CN([C@@H]2C[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC001246826238 988514094 /nfs/dbraw/zinc/51/40/94/988514094.db2.gz YDSPQUXNVOBAFD-AVGNSLFASA-N 2 0 225.380 1.057 20 0 BDADRP CC(C)C[C@H]1CN(C2C[C@@H]3C=C[C@H](C2)[NH2+]3)CC[NH2+]1 ZINC001246824504 988519320 /nfs/dbraw/zinc/51/93/20/988519320.db2.gz SNCNRCZCSNBACK-MBOZISHXSA-N 2 0 249.402 1.365 20 0 BDADRP C[N@H+](C[C@@H]1CC1(C)C)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246843061 988546058 /nfs/dbraw/zinc/54/60/58/988546058.db2.gz AWBDMPZPCZNEDL-RYUDHWBXSA-N 2 0 237.391 1.058 20 0 BDADRP C[N@H+](C[C@H]1CC1(C)C)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246843052 988551460 /nfs/dbraw/zinc/55/14/60/988551460.db2.gz AWBDMPZPCZNEDL-NEPJUHHUSA-N 2 0 237.391 1.058 20 0 BDADRP CC1(C)CC[C@H]([N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)C1 ZINC001246849675 988564224 /nfs/dbraw/zinc/56/42/24/988564224.db2.gz AMKGETCEQBQFPP-MDZLAQPJSA-N 2 0 208.349 1.988 20 0 BDADRP C[C@H]1CC[C@@H](N2CCC[N@@H+]3CCC[C@H]3C2)C[NH2+]1 ZINC001246850600 988566078 /nfs/dbraw/zinc/56/60/78/988566078.db2.gz UUIMAIHKNNYAGZ-MJBXVCDLSA-N 2 0 237.391 1.297 20 0 BDADRP C[C@@H]1C[C@@H](n2ccnc2[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246848809 988566486 /nfs/dbraw/zinc/56/64/86/988566486.db2.gz OIBIPSWUKALYNB-UPJWGTAASA-N 2 0 248.374 1.663 20 0 BDADRP CCN([C@@H]1CCC[NH2+]C1)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246852819 988569512 /nfs/dbraw/zinc/56/95/12/988569512.db2.gz GVIQYRRUFPGQFA-JHJVBQTASA-N 2 0 225.380 1.201 20 0 BDADRP CCN([C@@H]1CCC[NH2+]C1)[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246854651 988575753 /nfs/dbraw/zinc/57/57/53/988575753.db2.gz QFBOJGFMMCXENY-QWHCGFSZSA-N 2 0 239.407 1.591 20 0 BDADRP CCC[NH+]1CCC(N2C[C@@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001246856954 988576663 /nfs/dbraw/zinc/57/66/63/988576663.db2.gz XSQYYOUNPZDYMF-GXTWGEPZSA-N 2 0 237.391 1.284 20 0 BDADRP [NH3+][C@]12CC[C@H]1C[N@@H+]([C@@H]1Cc3cccc(F)c3C1)C2 ZINC001246855676 988579842 /nfs/dbraw/zinc/57/98/42/988579842.db2.gz VCEHXFFWHMDBME-ZOWXZIJZSA-N 2 0 246.329 1.716 20 0 BDADRP [NH3+][C@]12CC[C@@H]1C[N@@H+](C1C[C@H]3CC[C@@H](C1)O3)C2 ZINC001246856289 988581481 /nfs/dbraw/zinc/58/14/81/988581481.db2.gz WPIZMTRMQWMOQE-XYTAGDGMSA-N 2 0 222.332 1.120 20 0 BDADRP C1CC1N(C1C[NH2+]C1)[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246861777 988597260 /nfs/dbraw/zinc/59/72/60/988597260.db2.gz DUEINCQLLLIUSH-DZGCQCFKSA-N 2 0 249.402 1.345 20 0 BDADRP Cc1nc2c(n1[C@@H]1CC[NH2+][C@@H](C)C1)C[NH2+]CC2 ZINC001246860352 988601709 /nfs/dbraw/zinc/60/17/09/988601709.db2.gz HSMAHKHNQCCAQS-GXSJLCMTSA-N 2 0 234.347 1.150 20 0 BDADRP F[C@H]1C[C@@H]2C[C@H]1C[N@@H+]2C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246863315 988614195 /nfs/dbraw/zinc/61/41/95/988614195.db2.gz WKJHOBFUIGINRQ-SJWJYTFFSA-N 2 0 224.323 1.702 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2C[C@H](C)[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC001246868870 988629278 /nfs/dbraw/zinc/62/92/78/988629278.db2.gz CDESFGKOMOVWOY-FQUUOJAGSA-N 2 0 239.407 1.445 20 0 BDADRP C[C@@H]1CC(N2C[C@H]3CC[C@@H](C2)[NH2+]C3)C[C@@H](C)[NH2+]1 ZINC001246868148 988630484 /nfs/dbraw/zinc/63/04/84/988630484.db2.gz QYQOQWNCLHMTCS-NDBYEHHHSA-N 2 0 237.391 1.199 20 0 BDADRP CC(C)[C@@H]1[NH2+]CCc2ncn([C@@H]3CCC[NH2+]C3)c21 ZINC001246882361 988648821 /nfs/dbraw/zinc/64/88/21/988648821.db2.gz HVFDZAOYGDDVEI-YPMHNXCESA-N 2 0 248.374 1.650 20 0 BDADRP CC[C@@H]1C[C@H](N2[C@H](C)C[NH2+]C[C@H]2C)CC[NH2+]1 ZINC001246883811 988648939 /nfs/dbraw/zinc/64/89/39/988648939.db2.gz PARMDZAPTKWEIU-FDYHWXHSSA-N 2 0 225.380 1.199 20 0 BDADRP CN(C[C@@H]1CCC[NH2+]1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246889308 988659484 /nfs/dbraw/zinc/65/94/84/988659484.db2.gz NXNGALYGEKGAHB-RFQIPJPRSA-N 2 0 237.391 1.343 20 0 BDADRP CCC[N@H+](C)CC(=O)NCC[C@H](C)[NH2+]C(C)C ZINC001503588507 988668346 /nfs/dbraw/zinc/66/83/46/988668346.db2.gz DNJHSCBNMFSYHY-LBPRGKRZSA-N 2 0 243.395 1.221 20 0 BDADRP CCCN(C1CC[NH2+]CC1)[C@H]1CCCC[NH2+]C1 ZINC001246896366 988671368 /nfs/dbraw/zinc/67/13/68/988671368.db2.gz GRTUWMFZUJDOPE-AWEZNQCLSA-N 2 0 239.407 1.593 20 0 BDADRP CCC1([NH3+])CN([C@H]2CC[NH2+][C@H](C(C)(C)C)C2)C1 ZINC001246902596 988674332 /nfs/dbraw/zinc/67/43/32/988674332.db2.gz UCPIMDDWXKVAHK-RYUDHWBXSA-N 2 0 239.407 1.576 20 0 BDADRP C[NH2+][C@@H]1CCN1[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246901435 988675630 /nfs/dbraw/zinc/67/56/30/988675630.db2.gz XPBFTAJQBMHCDR-UTUOFQBUSA-N 2 0 225.380 1.404 20 0 BDADRP CC[C@@H]1CC(N2CC[C@H]2[NH2+]C)C[C@@H](CC)[NH2+]1 ZINC001246899913 988675695 /nfs/dbraw/zinc/67/56/95/988675695.db2.gz QWZCISLUGVPGHQ-WZRBSPASSA-N 2 0 225.380 1.547 20 0 BDADRP CCCC[C@H]1CN([C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246903975 988680651 /nfs/dbraw/zinc/68/06/51/988680651.db2.gz SDPXENSOVNXAMQ-STQMWFEESA-N 2 0 225.380 1.202 20 0 BDADRP C[C@@H]1CC[C@H](N2CC[C@@H]([N@H+](C)C3CC3)C2)C[NH2+]1 ZINC001246905863 988684814 /nfs/dbraw/zinc/68/48/14/988684814.db2.gz AKWUPPDFJQJKKN-KWCYVHTRSA-N 2 0 237.391 1.295 20 0 BDADRP COC(=O)CC[N@H+](C1CC1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246910643 988686234 /nfs/dbraw/zinc/68/62/34/988686234.db2.gz BDWNJXGEGIVEBS-ZYHUDNBSSA-N 2 0 240.347 1.154 20 0 BDADRP C[NH2+]CC[C@H](C)N(C1CC1)[C@H]1CCC[NH2+]C1 ZINC001246907701 988686308 /nfs/dbraw/zinc/68/63/08/988686308.db2.gz UJYXPCNVCBKKMH-AAEUAGOBSA-N 2 0 225.380 1.201 20 0 BDADRP C1CC1N([C@@H]1CCC[NH2+]C1)[C@@H]1CCCC[NH2+]C1 ZINC001246911711 988698877 /nfs/dbraw/zinc/69/88/77/988698877.db2.gz DGXOYFCRRFDSQC-ZIAGYGMSSA-N 2 0 237.391 1.345 20 0 BDADRP C[NH2+]CC[C@H](C)N(C)[C@@]1(C)CCC[NH2+]C1 ZINC001246916837 988711389 /nfs/dbraw/zinc/71/13/89/988711389.db2.gz YAWOQFOJTBGVIJ-RYUDHWBXSA-N 2 0 213.369 1.058 20 0 BDADRP CC[N@H+](CCC(=O)OC)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246918552 988718989 /nfs/dbraw/zinc/71/89/89/988718989.db2.gz FGPQZOLLUVRGHH-QWRGUYRKSA-N 2 0 228.336 1.012 20 0 BDADRP C[NH2+]CC[C@@H](C)N(C)[C@]1(C)CCC[NH2+]C1 ZINC001246916838 988720217 /nfs/dbraw/zinc/72/02/17/988720217.db2.gz YAWOQFOJTBGVIJ-VXGBXAGGSA-N 2 0 213.369 1.058 20 0 BDADRP C[C@H]([NH3+])CN1CC[C@H]2CSC[C@H]2C1 ZINC001118932741 988720664 /nfs/dbraw/zinc/72/06/64/988720664.db2.gz CHCKVXWYROSWQG-LPEHRKFASA-N 2 0 200.351 1.019 20 0 BDADRP C[NH2+]C1CCC(N(C)[C@H]2CCCC[NH2+]C2)CC1 ZINC001246920623 988728188 /nfs/dbraw/zinc/72/81/88/988728188.db2.gz OGLCKOBERYZPBV-RUXDESIVSA-N 2 0 239.407 1.591 20 0 BDADRP CO[C@@H](C)C1C[NH+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246920880 988728871 /nfs/dbraw/zinc/72/88/71/988728871.db2.gz GPQSIYHQSMUBST-KYTZWMPUSA-N 2 0 224.348 1.236 20 0 BDADRP CC(C)C[NH+]1CCC(N2C[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246920696 988729290 /nfs/dbraw/zinc/72/92/90/988729290.db2.gz QLBJJQNEUCMGCL-JSGCOSHPSA-N 2 0 237.391 1.010 20 0 BDADRP C[C@H]1C[C@@H](n2ccc3c2CC[NH2+]C3)CC[NH2+]1 ZINC001246920046 988729644 /nfs/dbraw/zinc/72/96/44/988729644.db2.gz ITJWCMBNTHAVHO-JQWIXIFHSA-N 2 0 219.332 1.447 20 0 BDADRP C[C@@H]1CC[C@H](N2CCC[C@H]([NH2+]C3CC3)C2)C[NH2+]1 ZINC001246921744 988735881 /nfs/dbraw/zinc/73/58/81/988735881.db2.gz RWWRSESUFZYJAX-XBFCOCLRSA-N 2 0 237.391 1.343 20 0 BDADRP C1[NH2+][C@@H]2CN([C@@H]3CC[NH2+]C4(CCCCC4)C3)C[C@H]12 ZINC001246922145 988736977 /nfs/dbraw/zinc/73/69/77/988736977.db2.gz URCUDYFFOGKCBV-BFHYXJOUSA-N 2 0 249.402 1.345 20 0 BDADRP C[C@@H]1CC[C@H](N2C[C@H]3CCC[N@H+](C)[C@H]3C2)C[NH2+]1 ZINC001246921708 988738099 /nfs/dbraw/zinc/73/80/99/988738099.db2.gz VFSMGQQOWQGLAR-MQYQWHSLSA-N 2 0 237.391 1.153 20 0 BDADRP C[C@@H]1C[C@@H](N(C)[C@@H]2CCCC[C@@H]2[NH3+])C[C@H](C)[NH2+]1 ZINC001246922628 988742543 /nfs/dbraw/zinc/74/25/43/988742543.db2.gz VKGXZHAFRWVUTK-ZUWCUPBKSA-N 2 0 239.407 1.717 20 0 BDADRP C1[NH2+][C@H]2C[N@@H+](C3CCC4(CC[NH2+]CC4)CC3)C[C@H]12 ZINC001246924873 988747266 /nfs/dbraw/zinc/74/72/66/988747266.db2.gz NGQAZGBOQDMQQZ-JSGCOSHPSA-N 3 0 249.402 1.202 20 0 BDADRP CCCN([C@H]1CC[NH2+]C1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246926004 988749356 /nfs/dbraw/zinc/74/93/56/988749356.db2.gz BISHBPVQOPKONW-AGIUHOORSA-N 2 0 225.380 1.201 20 0 BDADRP CC(C)[N@H+](CCCCCO)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246925065 988751353 /nfs/dbraw/zinc/75/13/53/988751353.db2.gz KULQREPLQKLFCQ-KBPBESRZSA-N 2 0 242.407 2.000 20 0 BDADRP CCN(C[C@@H]1CC[NH2+]C1)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246935271 988770533 /nfs/dbraw/zinc/77/05/33/988770533.db2.gz GDPKEBFUABYOBT-YNEHKIRRSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@H]1CN([C@@H]2CC[NH2+]C3(CCC3)C2)C[C@H](C)[NH2+]1 ZINC001246941860 988774765 /nfs/dbraw/zinc/77/47/65/988774765.db2.gz CSBQDNRSLGHAQO-RWMBFGLXSA-N 2 0 237.391 1.343 20 0 BDADRP c1ccc(N([C@@H]2CC[NH2+]C2)C2CC[NH2+]CC2)nc1 ZINC001246957504 988785973 /nfs/dbraw/zinc/78/59/73/988785973.db2.gz AXLNVQSIKHYGFY-CYBMUJFWSA-N 2 0 246.358 1.002 20 0 BDADRP CC(C)N([C@@H]1CCC[NH2+]C1)[C@H]1CCCC[NH2+]C1 ZINC001246954512 988788758 /nfs/dbraw/zinc/78/87/58/988788758.db2.gz LEDDGURRJIMWCI-UONOGXRCSA-N 2 0 239.407 1.591 20 0 BDADRP CC(C)N([C@H]1CC[NH2+]C1)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246961324 988791221 /nfs/dbraw/zinc/79/12/21/988791221.db2.gz QDZLSQORVZXDHI-AGIUHOORSA-N 2 0 225.380 1.199 20 0 BDADRP CC[C@H]([NH3+])CN(C)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246972209 988797986 /nfs/dbraw/zinc/79/79/86/988797986.db2.gz BGIMWJGTDKDMCV-RWMBFGLXSA-N 2 0 241.423 1.822 20 0 BDADRP C[NH2+]CC[C@H](C)N(C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001246971643 988798255 /nfs/dbraw/zinc/79/82/55/988798255.db2.gz HVFWBLSXYNXVHH-QWHCGFSZSA-N 2 0 239.407 1.448 20 0 BDADRP CC(C)N(C1CC[NH+](C)CC1)[C@@H]1CCC[NH2+]C1 ZINC001246970945 988799546 /nfs/dbraw/zinc/79/95/46/988799546.db2.gz DCBQRYNUWXQAAV-CQSZACIVSA-N 2 0 239.407 1.543 20 0 BDADRP CC[C@H]1C[C@@H](N(C2CC2)[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC001246969048 988800560 /nfs/dbraw/zinc/80/05/60/988800560.db2.gz SJXJXOOHKCDOEX-FPMFFAJLSA-N 2 0 237.391 1.343 20 0 BDADRP CCCN(C[C@@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC001246977012 988803716 /nfs/dbraw/zinc/80/37/16/988803716.db2.gz RFTOFTMPCDOYHU-CHWSQXEVSA-N 2 0 225.380 1.060 20 0 BDADRP CC[C@H]([NH3+])CN(C)[C@@H](C)CC(=O)N(CC)CC ZINC001246974792 988806164 /nfs/dbraw/zinc/80/61/64/988806164.db2.gz RAGNYKCNBWGKEG-RYUDHWBXSA-N 2 0 243.395 1.303 20 0 BDADRP CC(C)N([C@H]1CC[NH2+]C1)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246974179 988807394 /nfs/dbraw/zinc/80/73/94/988807394.db2.gz QDZLSQORVZXDHI-XQQFMLRXSA-N 2 0 225.380 1.199 20 0 BDADRP C[C@H]([NH3+])CN(C)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246981182 988808149 /nfs/dbraw/zinc/80/81/49/988808149.db2.gz NIFXZQIUKRGFFP-SRVKXCTJSA-N 2 0 227.396 1.432 20 0 BDADRP CC[C@@H]1CC(N(C)C[C@H](C)[NH3+])C[C@@H](CC)[NH2+]1 ZINC001246979516 988810576 /nfs/dbraw/zinc/81/05/76/988810576.db2.gz BZVJDBKUTBZUQV-QJPTWQEYSA-N 2 0 227.396 1.575 20 0 BDADRP CC[NH+]1C[C@@H]2C[NH+]([C@@H]3CC[NH2+][C@H](C)C3)C[C@H]2C1 ZINC001246980685 988811161 /nfs/dbraw/zinc/81/11/61/988811161.db2.gz RQUDCGUBTPFJRG-AAVRWANBSA-N 3 0 237.391 1.010 20 0 BDADRP C[C@H](N)C[N@H+](C)[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246980384 988812650 /nfs/dbraw/zinc/81/26/50/988812650.db2.gz HZVVTRYCKOYADC-RWMBFGLXSA-N 2 0 225.380 1.188 20 0 BDADRP CC[C@H]1C[C@@H](N2C[C@H](C)C[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246982614 988817686 /nfs/dbraw/zinc/81/76/86/988817686.db2.gz GJMKCRGCKQTYSL-NDBYEHHHSA-N 2 0 225.380 1.186 20 0 BDADRP CC[C@@H]1CC(N2CC[NH2+]C2)C[C@@H](CC)[NH2+]1 ZINC001246997609 988831169 /nfs/dbraw/zinc/83/11/69/988831169.db2.gz WEXGDFCAPMHJIH-GHMZBOCLSA-N 2 0 211.353 1.158 20 0 BDADRP CC[N@@H+]1CCN([C@@H]2CC[C@@H](C)[NH2+]C2)[C@H](C)C1 ZINC001246997353 988832117 /nfs/dbraw/zinc/83/21/17/988832117.db2.gz UDPYIDZINOGPTG-JHJVBQTASA-N 2 0 225.380 1.153 20 0 BDADRP O=C1CCC[C@H]2C[N@@H+](C3CC[NH2+]CC3)C[C@H]12 ZINC001247005639 988837296 /nfs/dbraw/zinc/83/72/96/988837296.db2.gz QUQSOLVXQVMFKS-JQWIXIFHSA-N 2 0 222.332 1.039 20 0 BDADRP C1C[C@H]2C[C@@H](N3CC[C@H]4[NH2+]CCC[C@@H]4C3)C[C@@H]1[NH2+]2 ZINC001247016975 988843831 /nfs/dbraw/zinc/84/38/31/988843831.db2.gz ZLQNYRLSQZGNNV-NIFZNCRKSA-N 2 0 249.402 1.343 20 0 BDADRP [NH3+]Cc1nc2cccc(F)c2n1C1CC[NH2+]CC1 ZINC001247028010 988845599 /nfs/dbraw/zinc/84/55/99/988845599.db2.gz TVFCRJSZIKOKFX-UHFFFAOYSA-N 2 0 248.305 1.559 20 0 BDADRP COC1(C[NH2+][C@H]2CCn3ccnc3C2)CCC1 ZINC001119245515 988860762 /nfs/dbraw/zinc/86/07/62/988860762.db2.gz RCSUTFDPTJGJLJ-NSHDSACASA-N 2 0 235.331 1.357 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC001119611684 989236202 /nfs/dbraw/zinc/23/62/02/989236202.db2.gz WESMQSYHEGNVAX-LBPRGKRZSA-N 3 0 247.386 1.277 20 0 BDADRP C[NH2+]C[C@H](C)CN[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC001119631309 989265763 /nfs/dbraw/zinc/26/57/63/989265763.db2.gz RSIXNTOAMKBOGZ-SRVKXCTJSA-N 2 0 227.396 1.338 20 0 BDADRP C[C@@H](Cn1cccn1)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC001119631949 989268198 /nfs/dbraw/zinc/26/81/98/989268198.db2.gz JADZWEXBMOPVLA-BFHYXJOUSA-N 2 0 248.374 1.393 20 0 BDADRP C[C@@H]([NH3+])CN1C[C@H](CC[NH3+])c2ccccc21 ZINC001119684369 989335839 /nfs/dbraw/zinc/33/58/39/989335839.db2.gz UUZBGUDECGJMDL-MNOVXSKESA-N 2 0 219.332 1.286 20 0 BDADRP [NH3+]Cc1cccc(NC(=O)[C@H]2CCCCC[NH2+]2)c1 ZINC001326281477 989460950 /nfs/dbraw/zinc/46/09/50/989460950.db2.gz AWUYNGAMPBENPT-CYBMUJFWSA-N 2 0 247.342 1.616 20 0 BDADRP C[C@H](CCO)[NH2+]CCC1CC[NH+](C)CC1 ZINC001120007002 989559060 /nfs/dbraw/zinc/55/90/60/989559060.db2.gz DRCIXIGWKAPQCM-LLVKDONJSA-N 2 0 214.353 1.079 20 0 BDADRP C[C@@H](O)[C@H](C)[NH2+]CCN1CCC(C)(C)C1 ZINC001120278195 989626421 /nfs/dbraw/zinc/62/64/21/989626421.db2.gz UFUKOFWOOXARNE-WDEREUQCSA-N 2 0 214.353 1.077 20 0 BDADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH3+])CC ZINC001326688133 989653965 /nfs/dbraw/zinc/65/39/65/989653965.db2.gz OYLQGKQWCWHIGD-NWDGAFQWSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@H](CC[NH+](C)C)NC(=O)c1ccccc1C[NH3+] ZINC001521455514 989709870 /nfs/dbraw/zinc/70/98/70/989709870.db2.gz VOJDWRBQUHCEHZ-LLVKDONJSA-N 2 0 249.358 1.215 20 0 BDADRP CC(C)C[C@@H]([NH3+])CC(=O)NCCC[NH2+]C1CC1 ZINC001521864137 989811444 /nfs/dbraw/zinc/81/14/44/989811444.db2.gz ILIGFBXGRGBLPE-LLVKDONJSA-N 2 0 241.379 1.008 20 0 BDADRP CC(C)(C)[C@@H]([NH3+])CC(=O)NCC1([NH3+])CCCC1 ZINC001521975241 989822225 /nfs/dbraw/zinc/82/22/25/989822225.db2.gz RHSDHHCVFSPELZ-JTQLQIEISA-N 2 0 241.379 1.138 20 0 BDADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001122017897 990186621 /nfs/dbraw/zinc/18/66/21/990186621.db2.gz ZCZMAXDIYXEFHY-USZNOCQGSA-N 2 0 241.379 1.136 20 0 BDADRP C[C@H](C[NH3+])C(=O)N1C[C@H](CC[NH3+])c2ccccc21 ZINC001122110709 990245184 /nfs/dbraw/zinc/24/51/84/990245184.db2.gz WSHRKPCVKDVMAW-MNOVXSKESA-N 2 0 247.342 1.060 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(F)nc1)CC2 ZINC001137742804 990846690 /nfs/dbraw/zinc/84/66/90/990846690.db2.gz LBZNCFKVCGZCBO-UHFFFAOYSA-N 2 0 249.333 1.748 20 0 BDADRP C[N@@H+]1CC[C@@H]2CN(Cc3cccnc3F)C[C@@H]2C1 ZINC001138787673 991053890 /nfs/dbraw/zinc/05/38/90/991053890.db2.gz YVZLKBKMEDOOHP-YPMHNXCESA-N 2 0 249.333 1.604 20 0 BDADRP CC[C@H]([NH2+]C1CCN(C)CC1)[C@H](O)C(F)F ZINC001308791300 991122572 /nfs/dbraw/zinc/12/25/72/991122572.db2.gz HKRBYDBWXQGCTB-UWVGGRQHSA-N 2 0 236.306 1.075 20 0 BDADRP [NH2+]=C(NCCCC[NH3+])NC1CCCCCCC1 ZINC001258233568 991166871 /nfs/dbraw/zinc/16/68/71/991166871.db2.gz HUZLVALYBIJUEH-UHFFFAOYSA-N 2 0 240.395 1.952 20 0 BDADRP CC1(C)CCC[C@H]([NH+]2CCN(CC[NH3+])CC2)C1 ZINC001258274166 991199742 /nfs/dbraw/zinc/19/97/42/991199742.db2.gz NYRCMVTYFSKLGX-ZDUSSCGKSA-N 2 0 239.407 1.532 20 0 BDADRP COC(=O)[C@H](C[NH3+])C[NH2+][C@H]1CCCC(C)(C)C1 ZINC001258276342 991204303 /nfs/dbraw/zinc/20/43/03/991204303.db2.gz GZJXGBNFRXFILW-MNOVXSKESA-N 2 0 242.363 1.293 20 0 BDADRP COC(=O)CC[C@H](C)[NH2+]CCCCCCC[NH3+] ZINC001258361287 991301942 /nfs/dbraw/zinc/30/19/42/991301942.db2.gz SXZCGMBHBHYHGL-LBPRGKRZSA-N 2 0 244.379 1.827 20 0 BDADRP C[C@H](CC[NH3+])NC(=O)c1cc2c[nH]ccc-2n1 ZINC001340261059 991309913 /nfs/dbraw/zinc/30/99/13/991309913.db2.gz FRINFXMYEJVERD-MRVPVSSYSA-N 2 0 232.287 1.030 20 0 BDADRP CCCCC[C@@H](CC)[NH2+]CCN(C)CC[NH3+] ZINC001258437448 991375979 /nfs/dbraw/zinc/37/59/79/991375979.db2.gz HEEVHYUPTLHMLB-CYBMUJFWSA-N 2 0 229.412 1.825 20 0 BDADRP C[C@H](CC1CC1)NC(=[NH2+])SCC[NH3+] ZINC001258450584 991401202 /nfs/dbraw/zinc/40/12/02/991401202.db2.gz RWSCZAHIQHLEAE-SSDOTTSWSA-N 2 0 201.339 1.391 20 0 BDADRP C[C@H](CC1CC1)[NH2+]CCC[N@H+](C)CCO ZINC001258456179 991410078 /nfs/dbraw/zinc/41/00/78/991410078.db2.gz HXCSXGXAFJEBKQ-LLVKDONJSA-N 2 0 214.353 1.079 20 0 BDADRP C[C@H](CC1CC1)[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001258457810 991415790 /nfs/dbraw/zinc/41/57/90/991415790.db2.gz LLAPOHIHZLWORZ-CYBMUJFWSA-N 2 0 239.407 1.354 20 0 BDADRP CCC[N@H+](CCC[NH3+])[C@H](C)CCC(=O)OCC ZINC001258475093 991445132 /nfs/dbraw/zinc/44/51/32/991445132.db2.gz AHBASTQUIILEAL-GFCCVEGCSA-N 2 0 244.379 1.779 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+](Cc1cccnn1)CC2 ZINC001139974284 991447752 /nfs/dbraw/zinc/44/77/52/991447752.db2.gz YZIMHJIMOFDYNP-UHFFFAOYSA-N 2 0 232.331 1.004 20 0 BDADRP CCCC1CCC([NH2+]C[C@@H](O)C[NH3+])CC1 ZINC001258527582 991475036 /nfs/dbraw/zinc/47/50/36/991475036.db2.gz JEZVVRNWTTYZMR-MCIGGMRASA-N 2 0 214.353 1.255 20 0 BDADRP CC[C@H](C(=O)N(C)CC[NH2+]CC(C)C)[NH+](C)C ZINC001317653180 991572030 /nfs/dbraw/zinc/57/20/30/991572030.db2.gz FGLUBSUUYZXCBS-GFCCVEGCSA-N 2 0 243.395 1.031 20 0 BDADRP CCC[NH+]1CCC([NH2+]CCn2cccc2)CC1 ZINC001258764863 991725130 /nfs/dbraw/zinc/72/51/30/991725130.db2.gz QEWOPLJQFZVUAX-UHFFFAOYSA-N 2 0 235.375 1.952 20 0 BDADRP CCC[NH+]1CCC(n2c(C)nnc2C[NH3+])CC1 ZINC001258771415 991733984 /nfs/dbraw/zinc/73/39/84/991733984.db2.gz AFLOIWXLCDYGQK-UHFFFAOYSA-N 2 0 237.351 1.092 20 0 BDADRP CCC[NH+]1CCC(N2CC([NH+](C)C)C2)CC1 ZINC001258771588 991737173 /nfs/dbraw/zinc/73/71/73/991737173.db2.gz KZVXSARFAFGNPJ-UHFFFAOYSA-N 2 0 225.380 1.107 20 0 BDADRP CCC[NH+]1CCC(N2CC[N@@H+]3CC[C@@H]3C2)CC1 ZINC001258777914 991744426 /nfs/dbraw/zinc/74/44/26/991744426.db2.gz NDOPVRPNLHLKLJ-CQSZACIVSA-N 2 0 237.391 1.251 20 0 BDADRP CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H](C[NH3+])C(=O)OC ZINC001258779159 991744757 /nfs/dbraw/zinc/74/47/57/991744757.db2.gz AKGBAGAWNKOOFT-TUAOUCFPSA-N 2 0 244.379 1.539 20 0 BDADRP C[C@@H]1CCC[C@H]([NH2+]CCOCC[NH3+])C1 ZINC001258808312 991812052 /nfs/dbraw/zinc/81/20/52/991812052.db2.gz OXXSGGVAOCGXNF-MNOVXSKESA-N 2 0 200.326 1.130 20 0 BDADRP CC[C@@H](CO)[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC001258895401 991892658 /nfs/dbraw/zinc/89/26/58/991892658.db2.gz BASPEUWJEPLZFB-STQMWFEESA-N 2 0 230.396 1.857 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]CCCC[NH3+] ZINC001258899680 991893737 /nfs/dbraw/zinc/89/37/37/991893737.db2.gz ONYXFNOGKNJMKP-CYBMUJFWSA-N 3 0 229.412 1.825 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)n1nncc1C[NH3+] ZINC001258900355 991893914 /nfs/dbraw/zinc/89/39/14/991893914.db2.gz JWKBQTXDUVQRKC-LLVKDONJSA-N 2 0 239.367 1.420 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C(C)(C)C(N)=O ZINC001258901374 991893936 /nfs/dbraw/zinc/89/39/36/991893936.db2.gz YYSHVTOUOSFCPD-LLVKDONJSA-N 2 0 243.395 1.350 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1C[C@H]1N ZINC001258902768 991893972 /nfs/dbraw/zinc/89/39/72/991893972.db2.gz ZQZPCOBJGCIMAN-QJPTWQEYSA-N 2 0 213.369 1.186 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1COC[C@@H]1F ZINC001258907213 991894373 /nfs/dbraw/zinc/89/43/73/991894373.db2.gz OQZHGXVFUHNROP-FRRDWIJNSA-N 2 0 246.370 1.823 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C[C@H](O)C1CC1 ZINC001258903337 991895998 /nfs/dbraw/zinc/89/59/98/991895998.db2.gz QFURFEZPXZACEN-JSGCOSHPSA-N 2 0 242.407 1.857 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@@H](O)C[C@H]1C ZINC001258908643 991898227 /nfs/dbraw/zinc/89/82/27/991898227.db2.gz ZJDZUNCLSQKLAG-MJBXVCDLSA-N 2 0 242.407 1.952 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](C)CCN(C)C ZINC001258907375 991898312 /nfs/dbraw/zinc/89/83/12/991898312.db2.gz JWNJHADEKSOUNG-CQSZACIVSA-N 2 0 243.439 1.990 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCOCC1 ZINC001258907341 991900193 /nfs/dbraw/zinc/90/01/93/991900193.db2.gz IWYHWSYCIQFPFF-ZDUSSCGKSA-N 2 0 228.380 1.829 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCCO)[C@H](C)C1 ZINC001319604095 991906560 /nfs/dbraw/zinc/90/65/60/991906560.db2.gz QPFFFNSAJVRBPA-OLZOCXBDSA-N 2 0 228.380 1.421 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1cccc(CO)c1 ZINC001261424605 992295644 /nfs/dbraw/zinc/29/56/44/992295644.db2.gz ZDPBVFMBPHHLSM-NEPJUHHUSA-N 2 0 236.359 1.828 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1cccc(CO)c1 ZINC001261424608 992297012 /nfs/dbraw/zinc/29/70/12/992297012.db2.gz ZDPBVFMBPHHLSM-VXGBXAGGSA-N 2 0 236.359 1.828 20 0 BDADRP CC[N@@H+]1CCC[C@@H](CN[C@@H](C)[C@H]2CCC[NH2+]2)C1 ZINC001261423345 992297246 /nfs/dbraw/zinc/29/72/46/992297246.db2.gz UGVPDPYYQKUMKK-MELADBBJSA-N 2 0 239.407 1.448 20 0 BDADRP CC[C@@]1(c2nc([C@@H]3CCC[NH2+]3)no2)CC[NH2+]C1 ZINC001261481116 992332908 /nfs/dbraw/zinc/33/29/08/992332908.db2.gz MLMWBUPMIVFKNZ-JOYOIKCWSA-N 2 0 236.319 1.135 20 0 BDADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)[C@H](C)O)CC1 ZINC001261891292 992564038 /nfs/dbraw/zinc/56/40/38/992564038.db2.gz DGSCSHPXIVFCMN-STQMWFEESA-N 2 0 242.407 1.856 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)N1CC[NH2+]CCC12CCC2 ZINC001262032313 992620925 /nfs/dbraw/zinc/62/09/25/992620925.db2.gz PUYMAIMHOYFJJY-CYBMUJFWSA-N 3 0 237.391 1.204 20 0 BDADRP CC[C@](C)(O)C[NH+]1CCC([C@H]2C[C@@H]2[NH3+])CC1 ZINC001573673952 992670812 /nfs/dbraw/zinc/67/08/12/992670812.db2.gz QNAFFOHHSWVHGN-AGIUHOORSA-N 2 0 226.364 1.207 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC001262201703 992794513 /nfs/dbraw/zinc/79/45/13/992794513.db2.gz CUZAXYFDIVNSFS-ZOBORPQBSA-N 2 0 240.391 1.779 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2OC)C1 ZINC001262483772 992891885 /nfs/dbraw/zinc/89/18/85/992891885.db2.gz NDZFEMTXZNKJRJ-MCIONIFRSA-N 2 0 240.391 1.875 20 0 BDADRP C([NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)[C@H]1CCC[NH2+]1 ZINC001574798974 992910805 /nfs/dbraw/zinc/91/08/05/992910805.db2.gz BJVKLZKIIYRXLU-GSZZWUTPSA-N 2 0 236.359 1.142 20 0 BDADRP C(C[C@@H]1CC[NH2+]C1)[NH2+][C@]12CCC[C@H]1OCC2 ZINC001574816895 992917470 /nfs/dbraw/zinc/91/74/70/992917470.db2.gz OHYRXPGETZVZBF-XQQFMLRXSA-N 2 0 224.348 1.287 20 0 BDADRP C([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)[C@H]1CCSC1 ZINC001574816733 992917975 /nfs/dbraw/zinc/91/79/75/992917975.db2.gz LIEZIKDYLVAGQQ-JHJVBQTASA-N 2 0 240.416 1.861 20 0 BDADRP C1[NH2+]CC12C[C@H]([NH2+][C@@H]1C[C@@H]3CC[C@@H](C3)C1)CO2 ZINC001574816481 992919041 /nfs/dbraw/zinc/91/90/41/992919041.db2.gz FZIGBCYUZPEVHM-RNJOBUHISA-N 2 0 236.359 1.286 20 0 BDADRP CC(=O)OC[C@@H](C)[NH2+]CC[C@@H]1CCC[NH2+]CC1 ZINC001575029848 992966143 /nfs/dbraw/zinc/96/61/43/992966143.db2.gz RBAKENZNMSRTQO-DGCLKSJQSA-N 2 0 242.363 1.307 20 0 BDADRP CC(C)(C)[NH2+]CCC(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC001575141131 992998030 /nfs/dbraw/zinc/99/80/30/992998030.db2.gz LVDBWWKNVZMRTB-ZJUUUORDSA-N 2 0 241.379 1.007 20 0 BDADRP CC(C)(C)OC(=O)C1CC([NH2+]CCCC[NH3+])C1 ZINC001575152987 992998801 /nfs/dbraw/zinc/99/88/01/992998801.db2.gz LXFZVVPMAHGHDP-UHFFFAOYSA-N 2 0 242.363 1.435 20 0 BDADRP CC(C)(C[NH3+])C[NH2+]Cc1ccc2nonc2c1 ZINC001575315313 993010103 /nfs/dbraw/zinc/01/01/03/993010103.db2.gz NPGZBWABQKNZSG-UHFFFAOYSA-N 2 0 234.303 1.297 20 0 BDADRP CC(C)(C[NH2+]C[C@@]12C[C@@H]1C[NH2+]C2)C1CC1 ZINC001575334053 993014836 /nfs/dbraw/zinc/01/48/36/993014836.db2.gz BXEGZJWBNYRZJY-YPMHNXCESA-N 2 0 208.349 1.622 20 0 BDADRP CC(C)[C@@H](CCO)[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC001575422004 993039591 /nfs/dbraw/zinc/03/95/91/993039591.db2.gz FHPVTIHJILMLSN-QJPTWQEYSA-N 2 0 214.353 1.110 20 0 BDADRP CC(C)[C@H](C[NH3+])C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001575422867 993040616 /nfs/dbraw/zinc/04/06/16/993040616.db2.gz NSWVZKFVWTVERJ-AAVRWANBSA-N 3 0 239.407 1.147 20 0 BDADRP CC(C)[C@@H](C[NH3+])C[NH2+]CC[C@@H](O)C1CCCC1 ZINC001575423064 993040735 /nfs/dbraw/zinc/04/07/35/993040735.db2.gz OPJSWQYAZQYPHR-UONOGXRCSA-N 2 0 242.407 1.748 20 0 BDADRP CC(C)[C@@H](C[NH3+])C[NH2+][C@@H](CO)CC1CCC1 ZINC001575423494 993041974 /nfs/dbraw/zinc/04/19/74/993041974.db2.gz VLZNXFGIPYAAQX-QWHCGFSZSA-N 2 0 228.380 1.358 20 0 BDADRP CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]([NH3+])C2)CCO1 ZINC001575497662 993058280 /nfs/dbraw/zinc/05/82/80/993058280.db2.gz GCGPTAKFVQPYGX-BJDJZHNGSA-N 2 0 212.337 1.269 20 0 BDADRP CC(C)CC1(C)CC[NH+](C[C@](C)(O)C[NH3+])CC1 ZINC001575550086 993070515 /nfs/dbraw/zinc/07/05/15/993070515.db2.gz YGVDHTFYZODDFM-CQSZACIVSA-N 2 0 242.407 1.844 20 0 BDADRP CC(C)CC[C@@H](C)[NH2+]C[C@]1(O)CC[NH2+]C1 ZINC001575555687 993074159 /nfs/dbraw/zinc/07/41/59/993074159.db2.gz SNFGMNUVXCEYAJ-NEPJUHHUSA-N 2 0 214.353 1.125 20 0 BDADRP CC(C)COC(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC001575606036 993079753 /nfs/dbraw/zinc/07/97/53/993079753.db2.gz COCMSZZQHYYYIK-VXGBXAGGSA-N 2 0 242.363 1.102 20 0 BDADRP CC(C)[NH2+][C@@H]1CCCN(C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC001575723205 993093809 /nfs/dbraw/zinc/09/38/09/993093809.db2.gz WQIZOEVVWJJIPI-HZSPNIEDSA-N 2 0 239.407 1.304 20 0 BDADRP CC(C)[NH2+]CCCNC(=O)[C@@H](C)CC[NH+](C)C ZINC001575730196 993102609 /nfs/dbraw/zinc/10/26/09/993102609.db2.gz ARROXSZSLOCVNE-LBPRGKRZSA-N 2 0 243.395 1.079 20 0 BDADRP CC(C)C[C@@H]([NH3+])CC(=O)N[C@H]1CC[NH2+]C1(C)C ZINC001263110908 993122630 /nfs/dbraw/zinc/12/26/30/993122630.db2.gz LCPUMMALTQGPFW-MNOVXSKESA-N 2 0 241.379 1.007 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001575941990 993133882 /nfs/dbraw/zinc/13/38/82/993133882.db2.gz ZJWYPNKFJRBIFU-OSBMCDJTSA-N 2 0 236.359 1.282 20 0 BDADRP C[C@H](CC1CCOCC1)[NH2+][C@H]1C[C@@H]([NH3+])C1 ZINC001575940936 993134020 /nfs/dbraw/zinc/13/40/20/993134020.db2.gz FDXIXJHOGIYPBB-JLLWLGSASA-N 2 0 212.337 1.271 20 0 BDADRP C[C@@H](CC[NH+](C)C)NC[C@@H]([NH3+])CC(F)(F)F ZINC001575954578 993139329 /nfs/dbraw/zinc/13/93/29/993139329.db2.gz VVWIZTWMHGBQJO-IUCAKERBSA-N 2 0 241.301 1.196 20 0 BDADRP C[C@@H](CCO)[NH2+]CC[C@H]([NH3+])Cc1ccccc1 ZINC001575967388 993144418 /nfs/dbraw/zinc/14/44/18/993144418.db2.gz MXGFJQFHBRDZKE-JSGCOSHPSA-N 2 0 236.359 1.307 20 0 BDADRP C[C@@H](Cc1ccno1)[NH2+]CCC(C)(C)[NH3+] ZINC001576065088 993166724 /nfs/dbraw/zinc/16/67/24/993166724.db2.gz BSWMGVXQGVSJMZ-VIFPVBQESA-N 2 0 211.309 1.323 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001576153297 993193613 /nfs/dbraw/zinc/19/36/13/993193613.db2.gz SBKZXNAVEHQNPW-MPPDQPJWSA-N 2 0 236.363 1.239 20 0 BDADRP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2cnnn2C)cc1 ZINC001576167785 993200338 /nfs/dbraw/zinc/20/03/38/993200338.db2.gz GKKSAEZRDUOFND-JTQLQIEISA-N 2 0 245.330 1.125 20 0 BDADRP CC(C)[NH+]1CC(Nc2cc(N)cc[nH+]2)C1 ZINC000379087067 993217418 /nfs/dbraw/zinc/21/74/18/993217418.db2.gz FKIOPXCVDWPYJE-UHFFFAOYSA-N 2 0 206.293 1.168 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CC[C@@H]([NH3+])C1)c1cnn(C)c1 ZINC001576245746 993228078 /nfs/dbraw/zinc/22/80/78/993228078.db2.gz RHIRQXPESFROLK-JBLDHEPKSA-N 2 0 222.336 1.198 20 0 BDADRP C[C@H](O)C(C)(C)C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC001576264928 993240854 /nfs/dbraw/zinc/24/08/54/993240854.db2.gz MNFUCXSTTQZLJM-HBNTYKKESA-N 2 0 214.353 1.110 20 0 BDADRP C[C@@H](O)C(C)(C)C[NH2+]C1CCC([NH3+])CC1 ZINC001576267658 993241542 /nfs/dbraw/zinc/24/15/42/993241542.db2.gz YRNOUNWXGLQLNU-KPPDAEKUSA-N 2 0 214.353 1.253 20 0 BDADRP C[C@H](c1ccccc1)[C@H](O)C[N@H+](C)C1CC([NH3+])C1 ZINC001576312472 993256343 /nfs/dbraw/zinc/25/63/43/993256343.db2.gz YOYQGCOCBFJMOM-GALLPEHLSA-N 2 0 248.370 1.573 20 0 BDADRP C[C@H](c1ccccc1)[C@@H](O)C[N@H+](C)C1CC([NH3+])C1 ZINC001576312479 993259288 /nfs/dbraw/zinc/25/92/88/993259288.db2.gz YOYQGCOCBFJMOM-WPPJOMGTSA-N 2 0 248.370 1.573 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC001576381509 993291284 /nfs/dbraw/zinc/29/12/84/993291284.db2.gz BWGYXAPMINRIDL-VPOLOUISSA-N 2 0 224.348 1.005 20 0 BDADRP Cc1cccnc1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC000379939630 993295679 /nfs/dbraw/zinc/29/56/79/993295679.db2.gz WYUBNFWCSUNJIF-CYBMUJFWSA-N 2 0 233.359 1.951 20 0 BDADRP CC1(C)C[C@@H]([NH2+]C[C@H]2CCC[NH2+]CC2)CO1 ZINC001576393807 993296492 /nfs/dbraw/zinc/29/64/92/993296492.db2.gz KZZOKPYCFUOHBE-NWDGAFQWSA-N 2 0 226.364 1.533 20 0 BDADRP CC1(C)CCCC[C@H]1[NH2+]C[C@@]1(O)CC[NH2+]C1 ZINC001576435352 993307832 /nfs/dbraw/zinc/30/78/32/993307832.db2.gz YKKIENDHHFKSKN-DGCLKSJQSA-N 2 0 226.364 1.269 20 0 BDADRP CC1(C)CC[N@H+](CCN[C@H]2CCC[NH2+]C2)C1 ZINC001576440860 993308612 /nfs/dbraw/zinc/30/86/12/993308612.db2.gz UDCLDYXGQWUDDG-LBPRGKRZSA-N 2 0 225.380 1.060 20 0 BDADRP CC1(C)OC[C@H](C[N@@H+]2CCCC[C@H]2CC[NH3+])O1 ZINC001576494737 993314124 /nfs/dbraw/zinc/31/41/24/993314124.db2.gz FFWZXTARJOOWCI-RYUDHWBXSA-N 2 0 242.363 1.341 20 0 BDADRP CC1(c2ccccc2)C[NH+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001576562915 993345395 /nfs/dbraw/zinc/34/53/95/993345395.db2.gz NAGGVULHROQQHI-XBXGTLAGSA-N 2 0 230.355 1.997 20 0 BDADRP C[C@@H]1[C@@H](CO)CCC[N@@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576573617 993351386 /nfs/dbraw/zinc/35/13/86/993351386.db2.gz SRJRBWFCJSGPEC-YVECIDJPSA-N 2 0 226.364 1.207 20 0 BDADRP C[C@H]1C[C@@H](C[NH2+]CCC2CSC2)CC[NH2+]1 ZINC001576596870 993360138 /nfs/dbraw/zinc/36/01/38/993360138.db2.gz BFRGPNVDTPMRGB-QWRGUYRKSA-N 2 0 228.405 1.717 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H]2CO)CC[NH2+]1 ZINC001576596883 993361174 /nfs/dbraw/zinc/36/11/74/993361174.db2.gz BLQQEUQLYRFSMZ-YVECIDJPSA-N 2 0 226.364 1.125 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCCC[C@H]2O)CC[NH2+]1 ZINC001576599405 993362915 /nfs/dbraw/zinc/36/29/15/993362915.db2.gz UOIVPDWPGVIXFB-YVECIDJPSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@@H]1CCC[C@@H](C[NH2+]C[C@]2(O)CC[NH2+]C2)C1 ZINC001576677929 993391327 /nfs/dbraw/zinc/39/13/27/993391327.db2.gz KBNAUZRZLGVTTI-UPJWGTAASA-N 2 0 226.364 1.127 20 0 BDADRP C[C@@H]1CCCC[C@@H]1C[N@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001576689653 993395410 /nfs/dbraw/zinc/39/54/10/993395410.db2.gz DSEBCOGKLPZIHM-POQQGIQPSA-N 2 0 222.376 1.962 20 0 BDADRP C[NH+](C)C1CCC([NH2+]CCN2CCC2)CC1 ZINC000381576308 993408175 /nfs/dbraw/zinc/40/81/75/993408175.db2.gz CIZLAHHVTAYGJL-UHFFFAOYSA-N 2 0 225.380 1.155 20 0 BDADRP C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CCC[NH2+]C1CC1 ZINC001576730987 993409422 /nfs/dbraw/zinc/40/94/22/993409422.db2.gz BPRBWXUQKRSAAB-MBNYWOFBSA-N 2 0 240.391 1.610 20 0 BDADRP COC(=O)CC[C@@H](C)[NH2+]C[C@H]1CCCN1C ZINC000381701329 993417407 /nfs/dbraw/zinc/41/74/07/993417407.db2.gz IMAHQPIXRRMTHG-GHMZBOCLSA-N 2 0 228.336 1.012 20 0 BDADRP CC[C@H](C)[C@](C)(O)C[NH2+]C[C@@H]([NH3+])CC(F)F ZINC001576962640 993467389 /nfs/dbraw/zinc/46/73/89/993467389.db2.gz UIRKZQRYMYPEEP-ATZCPNFKSA-N 2 0 238.322 1.356 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CCC1(F)F ZINC001576806912 993427316 /nfs/dbraw/zinc/42/73/16/993427316.db2.gz KVLMOLPKFZIGKT-GHMZBOCLSA-N 2 0 232.318 1.963 20 0 BDADRP C[C@@H]1C[N@H+](CC23CC(C)(C2)OC3)CC[C@@H]1[NH3+] ZINC001576801684 993428153 /nfs/dbraw/zinc/42/81/53/993428153.db2.gz SWVNYJYLQZXZOL-IALDZJHCSA-N 2 0 224.348 1.225 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](NCc2cc(N(C)C)cc[nH+]2)C1 ZINC001576849891 993431266 /nfs/dbraw/zinc/43/12/66/993431266.db2.gz MGUCACKZXXZKFB-NWDGAFQWSA-N 2 0 248.374 1.235 20 0 BDADRP C[C@@H]1CSC[C@H]1[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001576861658 993431657 /nfs/dbraw/zinc/43/16/57/993431657.db2.gz RDYNZLLMXSWEJQ-XIRMIIJJSA-N 2 0 212.362 1.207 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CSC[C@H]1C ZINC001576860898 993438087 /nfs/dbraw/zinc/43/80/87/993438087.db2.gz NUWYKIWHBJLGPZ-DDHJBXDOSA-N 2 0 228.405 1.573 20 0 BDADRP CCC(C)(C)[C@@H](C)[NH2+]C[C@H]1CCC2(C[NH2+]C2)O1 ZINC001576941384 993459600 /nfs/dbraw/zinc/45/96/00/993459600.db2.gz HKEMNIYZSKPEDD-VXGBXAGGSA-N 2 0 240.391 1.922 20 0 BDADRP CC[C@@](C)(O)C[N@@H+]1C2CCC1(C[NH3+])CC2 ZINC001576961643 993467061 /nfs/dbraw/zinc/46/70/61/993467061.db2.gz VPZIWUWOKCUZON-MOENNCHZSA-N 2 0 212.337 1.103 20 0 BDADRP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]([NH3+])CCOC ZINC001576962612 993470833 /nfs/dbraw/zinc/47/08/33/993470833.db2.gz UCGNBDSZSRHERB-AXFHLTTASA-N 2 0 202.342 1.374 20 0 BDADRP CC[C@H](C)[C@@H](C(=O)OC)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC001576965742 993473731 /nfs/dbraw/zinc/47/37/31/993473731.db2.gz DHJZDVGTYQFIMB-QCNOEVLYSA-N 2 0 242.363 1.101 20 0 BDADRP CC[C@H](C)C[C@H](CO)[NH2+]C[C@H]([NH3+])CC(F)F ZINC001576971906 993477532 /nfs/dbraw/zinc/47/75/32/993477532.db2.gz RVULCRRMSLTDKS-IVZWLZJFSA-N 2 0 238.322 1.356 20 0 BDADRP CC[C@@H](C)[C@@H](C[NH2+][C@H]1C[C@@H]([NH3+])C1)OC ZINC001576973660 993477553 /nfs/dbraw/zinc/47/75/53/993477553.db2.gz YGSQWFXBDMAIDF-CHWFTXMASA-N 2 0 200.326 1.127 20 0 BDADRP CC[C@H](C[C@H](C)O)[NH2+]C[C@@H]([NH3+])CC(F)F ZINC001577044366 993484557 /nfs/dbraw/zinc/48/45/57/993484557.db2.gz RUBANHDZEXSEHY-XHNCKOQMSA-N 2 0 224.295 1.108 20 0 BDADRP CC[C@@H](C[C@H](C)O)[NH2+]CCC1([NH3+])CCOCC1 ZINC001577043283 993485602 /nfs/dbraw/zinc/48/56/02/993485602.db2.gz FGUUQZZEHAWVGG-RYUDHWBXSA-N 2 0 244.379 1.024 20 0 BDADRP CC[C@H](CC(F)F)CN1CC[C@H]2C[NH2+]C[C@H]21 ZINC001577044025 993486875 /nfs/dbraw/zinc/48/68/75/993486875.db2.gz NTSIEACKRUJAIA-OUAUKWLOSA-N 2 0 232.318 1.962 20 0 BDADRP CCC(CC)(CCO)C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC001577049727 993487302 /nfs/dbraw/zinc/48/73/02/993487302.db2.gz CKPMHHSWZAWEPX-CHWSQXEVSA-N 2 0 242.407 1.892 20 0 BDADRP CCC(CC)(CCO)C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC001577049730 993488119 /nfs/dbraw/zinc/48/81/19/993488119.db2.gz CKPMHHSWZAWEPX-STQMWFEESA-N 2 0 242.407 1.892 20 0 BDADRP CCC(CC)(C[NH3+])C[NH2+][C@H](C)C[S@@](C)=O ZINC001577051831 993488690 /nfs/dbraw/zinc/48/86/90/993488690.db2.gz AKOQUVIUFYPHMV-MEBBXXQBSA-N 2 0 234.409 1.108 20 0 BDADRP CCC(CC)(C[NH3+])CN1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001577051749 993489067 /nfs/dbraw/zinc/48/90/67/993489067.db2.gz ZFDGUTYWTQOARD-OLZOCXBDSA-N 2 0 239.407 1.387 20 0 BDADRP CCC(CC)(C[NH3+])C[N@H+](C)C[C@H](C)C(=O)NC ZINC001577050817 993489558 /nfs/dbraw/zinc/48/95/58/993489558.db2.gz GISWXNQKRCZKOJ-NSHDSACASA-N 2 0 243.395 1.065 20 0 BDADRP CCC(CC)(C[NH3+])C[NH2+]C[C@]1(OC)CCOC1 ZINC001577051919 993489817 /nfs/dbraw/zinc/48/98/17/993489817.db2.gz GGMTUMNRKBSDOT-CYBMUJFWSA-N 2 0 244.379 1.147 20 0 BDADRP CCC(CC)(CC(=O)OC)[NH2+]C[C@H](C)[NH3+] ZINC001577049701 993490204 /nfs/dbraw/zinc/49/02/04/993490204.db2.gz AIJCKBOPAXKDGJ-VIFPVBQESA-N 2 0 216.325 1.045 20 0 BDADRP CC[C@H](CNCC12CC(C1)C[NH2+]2)[NH+]1CCCC1 ZINC001577090585 993498652 /nfs/dbraw/zinc/49/86/52/993498652.db2.gz SXACETAOMUNUOL-ROKHWSDSSA-N 2 0 237.391 1.202 20 0 BDADRP CC[C@@H](C[NH2+]C1CC([NH3+])C1)C(=O)OC(C)(C)C ZINC001577089837 993498703 /nfs/dbraw/zinc/49/87/03/993498703.db2.gz NKJKOCYTVCYIQB-WHXUTIOJSA-N 2 0 242.363 1.434 20 0 BDADRP [NH3+]C[C@@H]1CCCCN(Cc2cncc(F)c2)C1 ZINC000383567593 993500412 /nfs/dbraw/zinc/50/04/12/993500412.db2.gz BKEPBYNUNFTUJJ-NSHDSACASA-N 2 0 237.322 1.782 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@H](COC)CC1CCOCC1 ZINC001577124775 993517649 /nfs/dbraw/zinc/51/76/49/993517649.db2.gz QITGJECDDCFTAN-OLZOCXBDSA-N 2 0 244.379 1.145 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]([NH3+])CCOC)[C@H]1CCCOC1 ZINC001577175908 993535129 /nfs/dbraw/zinc/53/51/29/993535129.db2.gz MANOVCKECLFMST-AVGNSLFASA-N 2 0 244.379 1.145 20 0 BDADRP CC[C@H]1[C@H](CO)CC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC001577241211 993556644 /nfs/dbraw/zinc/55/66/44/993556644.db2.gz ROFRVTXYAMURML-AGIUHOORSA-N 2 0 226.364 1.079 20 0 BDADRP CC[C@@H]1CC[N@H+](C[C@@]23C[C@@H]2C[NH2+]C3)[C@H]1C ZINC001577263202 993569451 /nfs/dbraw/zinc/56/94/51/993569451.db2.gz OGNWVQCGPKHXTE-LOWDOPEQSA-N 2 0 208.349 1.716 20 0 BDADRP CCC[C@@H](C)[C@H](CO)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC001577335770 993594655 /nfs/dbraw/zinc/59/46/55/993594655.db2.gz BMUWYFOJAUUNCJ-NDBYEHHHSA-N 2 0 228.380 1.229 20 0 BDADRP CCC[C@@H](CCO)[NH2+]CCC1([NH3+])CCOCC1 ZINC001577357912 993616811 /nfs/dbraw/zinc/61/68/11/993616811.db2.gz KIXPFZSZMMKGMX-LBPRGKRZSA-N 2 0 244.379 1.025 20 0 BDADRP CCC[C@H](CN[C@H]1C[C@H]2CC[C@@H]1[NH2+]2)OC ZINC001577357886 993616820 /nfs/dbraw/zinc/61/68/20/993616820.db2.gz JORONEMIZVLOON-WYUUTHIRSA-N 2 0 212.337 1.284 20 0 BDADRP CCC[C@@H](CCO)[NH2+]C[C@@H]([NH3+])CC(F)F ZINC001577358094 993617232 /nfs/dbraw/zinc/61/72/32/993617232.db2.gz PFHZMUICUSLYDA-IUCAKERBSA-N 2 0 224.295 1.110 20 0 BDADRP CCCCN(C)C[C@@H](C)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC001577445144 993662097 /nfs/dbraw/zinc/66/20/97/993662097.db2.gz JQPSJWYJVKUXSS-HZSPNIEDSA-N 2 0 241.423 1.824 20 0 BDADRP CCC[N@@H+]1CC[C@@H](NCC(C)(C)C[NH3+])C1 ZINC001577533754 993682222 /nfs/dbraw/zinc/68/22/22/993682222.db2.gz JOEAIRCYRQSSGF-LLVKDONJSA-N 2 0 213.369 1.045 20 0 BDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC001577510254 993676857 /nfs/dbraw/zinc/67/68/57/993676857.db2.gz HKULHHNMDDQFAJ-WOPDTQHZSA-N 2 0 243.395 1.206 20 0 BDADRP CCCN(C[C@H]1CC[NH2+]C1)[C@@H](C)C(=O)OCC ZINC001577516278 993677941 /nfs/dbraw/zinc/67/79/41/993677941.db2.gz JWHAUYQTSAZUOV-RYUDHWBXSA-N 2 0 242.363 1.260 20 0 BDADRP CCCN(CC[NH+](CC)CC)CC1C[NH2+]C1 ZINC001577523746 993679379 /nfs/dbraw/zinc/67/93/79/993679379.db2.gz AWKIJNFFCDITPO-UHFFFAOYSA-N 2 0 227.396 1.260 20 0 BDADRP CCC[N@@H+]1CCC[C@H]1CNC[C@H]([NH3+])CC(F)F ZINC001577536526 993679841 /nfs/dbraw/zinc/67/98/41/993679841.db2.gz XWQIXYFXCWJLDA-MNOVXSKESA-N 2 0 249.349 1.433 20 0 BDADRP COC(=O)CCC[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000390524022 993796136 /nfs/dbraw/zinc/79/61/36/993796136.db2.gz ICCRMQVBOKNKDC-NSHDSACASA-N 2 0 228.336 1.000 20 0 BDADRP COCCCC[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC000393219473 993913460 /nfs/dbraw/zinc/91/34/60/993913460.db2.gz SSDZUVOLGZGEGB-LLVKDONJSA-N 2 0 200.326 1.226 20 0 BDADRP C[NH+]1CCC(N2CC[C@H]([NH3+])c3ccccc32)CC1 ZINC000704891610 994052932 /nfs/dbraw/zinc/05/29/32/994052932.db2.gz RPDMDRXLMHRVEA-AWEZNQCLSA-N 2 0 245.370 1.991 20 0 BDADRP Cc1nc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c[nH]1 ZINC000724778383 994075216 /nfs/dbraw/zinc/07/52/16/994075216.db2.gz WPPSQWKBLYRAAD-OLZOCXBDSA-N 2 0 234.347 1.387 20 0 BDADRP CC[N@H+](C)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001282477034 994241235 /nfs/dbraw/zinc/24/12/35/994241235.db2.gz FEFQOJDSYNVUSH-GFCCVEGCSA-N 2 0 243.395 1.175 20 0 BDADRP Cc1cc(N[C@H]2CCCC[C@@H]2[NH+](C)C)nc(N)[nH+]1 ZINC001333601740 994484164 /nfs/dbraw/zinc/48/41/64/994484164.db2.gz JZQHQMCYQHPPPX-QWRGUYRKSA-N 2 0 249.362 1.652 20 0 BDADRP CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]C(C)C)[NH+](C)C ZINC001492113848 995020767 /nfs/dbraw/zinc/02/07/67/995020767.db2.gz XSAASABKMQFYBN-NEPJUHHUSA-N 2 0 243.395 1.219 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001307989848 995521358 /nfs/dbraw/zinc/52/13/58/995521358.db2.gz VLCFXRWZLTUUQN-DGAVXFQQSA-N 2 0 238.375 1.295 20 0 BDADRP C[C@H](O)[C@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001308040230 995530832 /nfs/dbraw/zinc/53/08/32/995530832.db2.gz KLOLVBQWNACVRO-AVGNSLFASA-N 2 0 249.358 1.361 20 0 BDADRP CC(C)(CO)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000161270302 538915084 /nfs/dbraw/zinc/91/50/84/538915084.db2.gz NCSDYTDOAZFUMM-UHFFFAOYSA-N 2 0 242.407 1.857 20 0 BDADRP COCC[C@H](C)[NH2+]CCN(C)C1CCCC1 ZINC000070945380 398142456 /nfs/dbraw/zinc/14/24/56/398142456.db2.gz DEHHLARWGKAWJR-LBPRGKRZSA-N 2 0 228.380 1.875 20 0 BDADRP CCC(CC)(C[NH3+])C(=O)N(C)CCC[NH+](C)C ZINC000104199411 168321762 /nfs/dbraw/zinc/32/17/62/168321762.db2.gz IHIUGGSDACPKSL-UHFFFAOYSA-N 2 0 243.395 1.162 20 0 BDADRP CC[C@H]([NH2+]C[C@H](C)SC)[C@@H]1CCC[NH2+]1 ZINC000422941852 398159912 /nfs/dbraw/zinc/15/99/12/398159912.db2.gz VSMPZXDJECHMBE-DCAQKATOSA-N 2 0 216.394 1.858 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415012809 398154365 /nfs/dbraw/zinc/15/43/65/398154365.db2.gz XMWLKSSOHSSUQV-SYQHCUMBSA-N 3 0 239.407 1.624 20 0 BDADRP C1C[C@@H]2C[C@@H]([NH2+][C@@H]3CCCOCC3)CC[N@@H+]2C1 ZINC000157464999 136213784 /nfs/dbraw/zinc/21/37/84/136213784.db2.gz KVJXTTURKVJTNR-HZSPNIEDSA-N 2 0 238.375 1.772 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)O1 ZINC000379805619 398168268 /nfs/dbraw/zinc/16/82/68/398168268.db2.gz NXRNJNKXZXYOLY-RQJABVFESA-N 2 0 238.375 1.615 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000580893482 398169216 /nfs/dbraw/zinc/16/92/16/398169216.db2.gz SQPNDKWHRZAEBU-PDWCTOEPSA-N 3 0 237.391 1.234 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]C1CCC(CO)CC1 ZINC000379835305 398170461 /nfs/dbraw/zinc/17/04/61/398170461.db2.gz DIRPBVWDSLQMJO-HHTDUIENSA-N 2 0 240.391 1.645 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCO[C@@H]1C ZINC000308712430 136216560 /nfs/dbraw/zinc/21/65/60/136216560.db2.gz ZMZVWBNZWMGDEA-GMTAPVOTSA-N 2 0 200.326 1.271 20 0 BDADRP CS[C@@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422943904 398160294 /nfs/dbraw/zinc/16/02/94/398160294.db2.gz ZBIDJIGXOSGATB-GKDVJIACSA-N 2 0 214.378 1.611 20 0 BDADRP CC[C@@H](C[NH2+]C[C@@H]1CNCCO1)c1ccccc1 ZINC000415097964 398161595 /nfs/dbraw/zinc/16/15/95/398161595.db2.gz UQEGMGJMMBAQQI-ZFWWWQNUSA-N 2 0 248.370 1.758 20 0 BDADRP OC[C@@H](CC1CCCC1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000423022696 398162293 /nfs/dbraw/zinc/16/22/93/398162293.db2.gz IEXIUSZEVLFIDS-UONOGXRCSA-N 2 0 240.391 1.659 20 0 BDADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccccn1 ZINC000423174550 398164252 /nfs/dbraw/zinc/16/42/52/398164252.db2.gz BAGSFUTTWQZVOE-CYBMUJFWSA-N 2 0 248.374 1.028 20 0 BDADRP C[C@H]1C[C@H](N[C@H]2CCC[NH2+][C@H]2C)CC[N@@H+]1C ZINC000396714363 398166995 /nfs/dbraw/zinc/16/69/95/398166995.db2.gz QPOQORHKYYHOGG-RVMXOQNASA-N 2 0 225.380 1.199 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2CCC[NH2+][C@H]2C)CC[N@@H+]1C ZINC000396714368 398167267 /nfs/dbraw/zinc/16/72/67/398167267.db2.gz QPOQORHKYYHOGG-XQHKEYJVSA-N 2 0 225.380 1.199 20 0 BDADRP C[N@H+](CC[C@H]1CCC[NH+]1C)C[C@H](O)C1CC1 ZINC000162562017 538923590 /nfs/dbraw/zinc/92/35/90/538923590.db2.gz YFMNHFXIYORCQM-OLZOCXBDSA-N 2 0 226.364 1.173 20 0 BDADRP C[NH2+][C@@H](C)c1cn(Cc2cccnc2C)nn1 ZINC000380114380 398186965 /nfs/dbraw/zinc/18/69/65/398186965.db2.gz AKXCGCNQSIINFO-JTQLQIEISA-N 2 0 231.303 1.310 20 0 BDADRP CC[NH+]1CCC([NH2+]CCc2cnccn2)CC1 ZINC000341871880 365528409 /nfs/dbraw/zinc/52/84/09/365528409.db2.gz GEIHTKPSCUGAAL-UHFFFAOYSA-N 2 0 234.347 1.093 20 0 BDADRP CO[C@@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000385933157 398192525 /nfs/dbraw/zinc/19/25/25/398192525.db2.gz DPCUZQVFEXMHOP-ZNMIVQPWSA-N 2 0 246.354 1.525 20 0 BDADRP Cc1cc(N2C[C@@H](C[NH3+])C[C@@H]2C)cc[nH+]1 ZINC000229577329 178120915 /nfs/dbraw/zinc/12/09/15/178120915.db2.gz LVTRFQZWDAERJB-WDEREUQCSA-N 2 0 205.305 1.564 20 0 BDADRP CO[C@H](C)CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000336750798 398202568 /nfs/dbraw/zinc/20/25/68/398202568.db2.gz ZVMNIFBXRFQKPQ-UMSGYPCISA-N 2 0 228.380 1.730 20 0 BDADRP CCC(CC)(C[NH3+])C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000446396368 398204426 /nfs/dbraw/zinc/20/44/26/398204426.db2.gz JPCGHGGQIBFOPB-GHMZBOCLSA-N 2 0 241.379 1.138 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]1c1ccccc1)C1C[NH2+]C1 ZINC000647800523 398206010 /nfs/dbraw/zinc/20/60/10/398206010.db2.gz DTPXBQISVBQRLM-UXIGCNINSA-N 2 0 230.355 1.988 20 0 BDADRP C[C@H]1OCC[C@@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446885432 201700727 /nfs/dbraw/zinc/70/07/27/201700727.db2.gz WNHCSBFRDAWXNU-RISCZKNCSA-N 2 0 238.375 1.628 20 0 BDADRP CC(C)[N@@H+](C)CC1CCN(C[C@H](C)[NH3+])CC1 ZINC000649411825 398213622 /nfs/dbraw/zinc/21/36/22/398213622.db2.gz HWZADKRPULUHIY-LBPRGKRZSA-N 2 0 227.396 1.386 20 0 BDADRP C([NH2+]C[C@@H]1CCC[NH2+]C1)[C@@H]1CCSC1 ZINC000228553595 192027935 /nfs/dbraw/zinc/02/79/35/192027935.db2.gz HMMGFFJMGPRJKK-MNOVXSKESA-N 2 0 214.378 1.329 20 0 BDADRP C[C@H](CCc1ccccc1)[NH2+]C[C@H](C)[NH3+] ZINC000199981060 398217007 /nfs/dbraw/zinc/21/70/07/398217007.db2.gz IJWHTFRKNCJMNR-NWDGAFQWSA-N 2 0 206.333 1.945 20 0 BDADRP Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000649414342 398212698 /nfs/dbraw/zinc/21/26/98/398212698.db2.gz UIUCTOAAUVBHHG-JSGCOSHPSA-N 2 0 248.374 1.475 20 0 BDADRP Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000643512131 398224513 /nfs/dbraw/zinc/22/45/13/398224513.db2.gz QQNZCNVMIWRCMA-UFGOTCBOSA-N 2 0 236.363 1.886 20 0 BDADRP C(C[N@@H+]1CCO[C@H]2CCCC[C@H]21)[C@H]1CC[NH2+]C1 ZINC000250820650 187330670 /nfs/dbraw/zinc/33/06/70/187330670.db2.gz GBAISRMOYHXHFL-MCIONIFRSA-N 2 0 238.375 1.629 20 0 BDADRP Cc1cc(N[C@@H](C)C[NH+]2CCN(C)CC2)cc[nH+]1 ZINC000274938810 178178722 /nfs/dbraw/zinc/17/87/22/178178722.db2.gz SMZCEFNNCISDJS-ZDUSSCGKSA-N 2 0 248.374 1.438 20 0 BDADRP CCC[C@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000020200468 538931027 /nfs/dbraw/zinc/93/10/27/538931027.db2.gz QBGGMWUTZNAZHO-ZDUSSCGKSA-N 2 0 241.423 1.791 20 0 BDADRP CCC1CC([NH2+]CCCN2CC[NH+](C)CC2)C1 ZINC000342661171 136223454 /nfs/dbraw/zinc/22/34/54/136223454.db2.gz GWTNLUBNOGKJMM-UHFFFAOYSA-N 2 0 239.407 1.402 20 0 BDADRP CC[C@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000430764837 398230814 /nfs/dbraw/zinc/23/08/14/398230814.db2.gz UDIVDUDBZVDEGY-TUAOUCFPSA-N 2 0 241.379 1.103 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN(C)C[C@]1(C)CC[NH2+]C1 ZINC000092633598 398235712 /nfs/dbraw/zinc/23/57/12/398235712.db2.gz HXYUOFYHKYPEHS-ZIAGYGMSSA-N 2 0 239.407 1.402 20 0 BDADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCSC1 ZINC000336776463 398242414 /nfs/dbraw/zinc/24/24/14/398242414.db2.gz FWXSIWBARSIDMR-GFCCVEGCSA-N 2 0 246.420 1.440 20 0 BDADRP C([NH2+]C1CCSCC1)[C@@H]1CCC[NH2+]1 ZINC000232465565 136229180 /nfs/dbraw/zinc/22/91/80/136229180.db2.gz QFCQSLJGLMAVTC-JTQLQIEISA-N 2 0 200.351 1.224 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC1(C)C ZINC000379912568 365641185 /nfs/dbraw/zinc/64/11/85/365641185.db2.gz NTMQMCVTNHJNIH-GHMZBOCLSA-N 2 0 214.353 1.077 20 0 BDADRP [NH3+]CCC1CC[NH+](CCc2cn[nH]c2)CC1 ZINC000381322995 398253131 /nfs/dbraw/zinc/25/31/31/398253131.db2.gz ZLYXIIWPYISOKG-UHFFFAOYSA-N 2 0 222.336 1.013 20 0 BDADRP C[C@H](O)[C@H](C)[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000576747312 365674195 /nfs/dbraw/zinc/67/41/95/365674195.db2.gz PRHOWHFQWJXTPR-GVXVVHGQSA-N 2 0 226.364 1.362 20 0 BDADRP C[C@@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)C[NH+](C)C ZINC000378758786 346826420 /nfs/dbraw/zinc/82/64/20/346826420.db2.gz ZQEFCAFWKBNHEK-RVMXOQNASA-N 2 0 210.365 1.962 20 0 BDADRP COc1cc([C@@H](C)[NH2+]CCC[NH3+])ccc1F ZINC000162128652 349572116 /nfs/dbraw/zinc/57/21/16/349572116.db2.gz OSGFJGQGXNOANY-SECBINFHSA-N 2 0 226.295 1.834 20 0 BDADRP C[N@@H+]1CCC[C@H]2CN(CC(F)F)CC[C@@H]21 ZINC000178639824 538953667 /nfs/dbraw/zinc/95/36/67/538953667.db2.gz PPOKXJKJBGUYBB-UWVGGRQHSA-N 2 0 218.291 1.668 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](O)C2)CC1 ZINC000037164738 538961641 /nfs/dbraw/zinc/96/16/41/538961641.db2.gz MERUNVUHYNOTME-ZIAGYGMSSA-N 2 0 240.391 1.754 20 0 BDADRP C[C@@H]([NH2+]C1CCN(C)CC1)C1CC[NH+](C)CC1 ZINC000037266964 538962178 /nfs/dbraw/zinc/96/21/78/538962178.db2.gz VRFDNWWGZYFVEH-GFCCVEGCSA-N 2 0 239.407 1.401 20 0 BDADRP CN(C[C@@H](O)C[NH2+]CC1=CCCCC1)C1CC1 ZINC000379757555 361868432 /nfs/dbraw/zinc/86/84/32/361868432.db2.gz ZECGCELGGUGKFJ-AWEZNQCLSA-N 2 0 238.375 1.532 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000038096067 538965279 /nfs/dbraw/zinc/96/52/79/538965279.db2.gz SGRNFKFOTQFZAA-GXTWGEPZSA-N 2 0 240.391 1.875 20 0 BDADRP CCC(CC)[NH2+]C[C@@H]1CN(C)CCN1C ZINC000082668911 168388837 /nfs/dbraw/zinc/38/88/37/168388837.db2.gz WJBVUXWHCIVQSV-GFCCVEGCSA-N 2 0 213.369 1.010 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@@H](O)CC1CCCC1 ZINC000232130298 342788894 /nfs/dbraw/zinc/78/88/94/342788894.db2.gz KWMOJXFPUMOPNI-JSGCOSHPSA-N 2 0 242.407 1.857 20 0 BDADRP Cc1cc(CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)on1 ZINC000581835023 342811300 /nfs/dbraw/zinc/81/13/00/342811300.db2.gz KCSRZMZPSISTMV-GHMZBOCLSA-N 2 0 223.320 1.385 20 0 BDADRP Cc1n[nH]cc1[C@H](C)[NH2+]CCCC[NH+](C)C ZINC000381746598 539006534 /nfs/dbraw/zinc/00/65/34/539006534.db2.gz QEDYHUPBUIEGOW-JTQLQIEISA-N 2 0 224.352 1.711 20 0 BDADRP COCC(C)(C)C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000381110557 538994924 /nfs/dbraw/zinc/99/49/24/538994924.db2.gz ZVCBTBZFFFNDQF-GFCCVEGCSA-N 2 0 228.380 1.590 20 0 BDADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](C[C@@H]1CCCCO1)C2 ZINC000382493188 361950758 /nfs/dbraw/zinc/95/07/58/361950758.db2.gz OCNXGWYRISNXKY-IHRRRGAJSA-N 2 0 238.375 1.616 20 0 BDADRP c1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)n[nH]1 ZINC000335633525 136241812 /nfs/dbraw/zinc/24/18/12/136241812.db2.gz IYFFDWFRSNFCQM-NEPJUHHUSA-N 2 0 234.347 1.231 20 0 BDADRP CCC[NH+]1CCC(C[NH2+]C2CSC2)CC1 ZINC000389983362 539019180 /nfs/dbraw/zinc/01/91/80/539019180.db2.gz KMQHJDSPZCLMIV-UHFFFAOYSA-N 2 0 228.405 1.813 20 0 BDADRP CC(C)[NH+]1CCC(N[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000335644713 136243303 /nfs/dbraw/zinc/24/33/03/136243303.db2.gz YFWUMKIRWUEMGT-TZMCWYRMSA-N 3 0 239.407 1.589 20 0 BDADRP Cc1cccc(C[NH2+]CCN2CC[C@H](O)C2)c1C ZINC000623836132 342845932 /nfs/dbraw/zinc/84/59/32/342845932.db2.gz MLHAPSZLMVFHOX-HNNXBMFYSA-N 2 0 248.370 1.460 20 0 BDADRP C[N@H+](CCC[NH3+])CC[C@@H]1CCCCO1 ZINC000382082874 398304791 /nfs/dbraw/zinc/30/47/91/398304791.db2.gz QNZCQNVNSSNSBC-NSHDSACASA-N 2 0 200.326 1.226 20 0 BDADRP Cc1ccncc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000167244004 136245205 /nfs/dbraw/zinc/24/52/05/136245205.db2.gz AEMMCIHIJDJJRO-AAEUAGOBSA-N 2 0 219.332 1.607 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](C[NH+](C)C)C2)CCO1 ZINC000352608456 398322324 /nfs/dbraw/zinc/32/23/24/398322324.db2.gz LGRVGXLCCYXJOZ-MGPQQGTHSA-N 2 0 240.391 1.685 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C1 ZINC000584004475 342900352 /nfs/dbraw/zinc/90/03/52/342900352.db2.gz LYVPREKAMZYCSC-NNYUYHANSA-N 2 0 220.316 1.995 20 0 BDADRP C[C@@H]([NH2+]CCCOC(F)F)[C@@H]1CCC[NH2+]1 ZINC000400430407 398327061 /nfs/dbraw/zinc/32/70/61/398327061.db2.gz KXGCASCLVCCFLX-BDAKNGLRSA-N 2 0 222.279 1.346 20 0 BDADRP C[C@@H](F)CC[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000351730527 136250808 /nfs/dbraw/zinc/25/08/08/136250808.db2.gz PHZSIZRRVQMGPU-CYBMUJFWSA-N 2 0 245.386 1.304 20 0 BDADRP CC[C@@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000020128483 342970489 /nfs/dbraw/zinc/97/04/89/342970489.db2.gz FMXCEACDBCZUCN-GFCCVEGCSA-N 2 0 213.369 1.012 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(O)CCC2)[C@H](C)C1 ZINC000167485877 136258279 /nfs/dbraw/zinc/25/82/79/136258279.db2.gz LGAAQKHEHAOQOK-VXGBXAGGSA-N 2 0 226.364 1.221 20 0 BDADRP C(C[N@@H+]1C[C@@H]2CCC[C@@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000126290394 259338433 /nfs/dbraw/zinc/33/84/33/259338433.db2.gz PRCJHYAIXOXQMB-RWMBFGLXSA-N 2 0 208.349 1.718 20 0 BDADRP CC[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)OC ZINC000308588452 259340370 /nfs/dbraw/zinc/34/03/70/259340370.db2.gz UDPNAGMVFQRCMR-HBNTYKKESA-N 2 0 200.326 1.271 20 0 BDADRP CC(C)[C@H](C)[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000361583743 187218303 /nfs/dbraw/zinc/21/83/03/187218303.db2.gz MEMLWCCKIWJFOK-ZDUSSCGKSA-N 2 0 242.407 1.856 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)[C@@H]1CCOC1 ZINC000305250994 529620891 /nfs/dbraw/zinc/62/08/91/529620891.db2.gz HLBSECYRTHQGMQ-MCIONIFRSA-N 2 0 240.391 1.733 20 0 BDADRP CC[NH+]1CCC(NC[C@H](C)[NH+](C)C)CC1 ZINC000038088995 343059204 /nfs/dbraw/zinc/05/92/04/343059204.db2.gz VABNZVFLXNZDMO-NSHDSACASA-N 2 0 213.369 1.010 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCCc1ccncc1 ZINC000576834446 365699271 /nfs/dbraw/zinc/69/92/71/365699271.db2.gz LCCSOBDYMVZVSV-TZMCWYRMSA-N 2 0 233.359 1.826 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@@H]1CCCCO1 ZINC000042821782 362026793 /nfs/dbraw/zinc/02/67/93/362026793.db2.gz PKPAUSDVZPNXOB-WOPDTQHZSA-N 2 0 212.337 1.367 20 0 BDADRP C(C[NH+]1CCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000336704588 187231522 /nfs/dbraw/zinc/23/15/22/187231522.db2.gz KXDZTQXITYEBNZ-UHFFFAOYSA-N 2 0 237.391 1.299 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCOCC(F)F)C1 ZINC000236293964 343088890 /nfs/dbraw/zinc/08/88/90/343088890.db2.gz XTJXZXAHMCGNOP-BDAKNGLRSA-N 2 0 222.279 1.128 20 0 BDADRP C[NH+](C)CCC[NH2+]C1CCN(CC(F)F)CC1 ZINC000151929748 323034009 /nfs/dbraw/zinc/03/40/09/323034009.db2.gz GDAXOYYKAASRFI-UHFFFAOYSA-N 2 0 249.349 1.257 20 0 BDADRP CC[NH2+]Cc1ccccc1NC(=O)CC[NH3+] ZINC000237034334 343121335 /nfs/dbraw/zinc/12/13/35/343121335.db2.gz FTLZKBSOLJFKEL-UHFFFAOYSA-N 2 0 221.304 1.083 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)CCO1 ZINC000356670327 187232935 /nfs/dbraw/zinc/23/29/35/187232935.db2.gz FVJKSZYKLOVAGQ-DGAVXFQQSA-N 2 0 240.391 1.731 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cccn2C)C1 ZINC000050596135 343177421 /nfs/dbraw/zinc/17/74/21/343177421.db2.gz SHMXUTAXYLZEBT-CYBMUJFWSA-N 2 0 235.375 1.845 20 0 BDADRP CC(C)[NH+](CCN[C@H]1CCC[C@H]([NH3+])C1)C(C)C ZINC000093209314 343151330 /nfs/dbraw/zinc/15/13/30/343151330.db2.gz BCICUEDTSHIFQF-KBPBESRZSA-N 2 0 241.423 1.965 20 0 BDADRP CN1CCN(C/C=C/c2ccccc2)[C@H](C[NH3+])C1 ZINC000122710329 343160897 /nfs/dbraw/zinc/16/08/97/343160897.db2.gz PPYBHBGHPNGSTM-SBJJXXPASA-N 2 0 245.370 1.275 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@H](C)CCCCO)CC1 ZINC000352782250 187243745 /nfs/dbraw/zinc/24/37/45/187243745.db2.gz GREQILDDGQAKQB-CYBMUJFWSA-N 2 0 242.407 2.000 20 0 BDADRP COC[C@H](C)C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000163553010 343206691 /nfs/dbraw/zinc/20/66/91/343206691.db2.gz AKTLJMIKFZKEHB-NEPJUHHUSA-N 2 0 216.369 1.574 20 0 BDADRP C[NH2+]CC1CC[NH+](C[C@H](C)COC)CC1 ZINC000163537210 343206927 /nfs/dbraw/zinc/20/69/27/343206927.db2.gz DUWCHWUOXRYKRA-NSHDSACASA-N 2 0 214.353 1.200 20 0 BDADRP C[C@H](CN[C@@H]1CCCC[C@@H]1C[NH3+])[N@H+](C)C1CC1 ZINC000217595425 136277987 /nfs/dbraw/zinc/27/79/87/136277987.db2.gz PHDPZPNPMHNUOS-YRGRVCCFSA-N 2 0 239.407 1.576 20 0 BDADRP C[C@H]1CC[C@H](C[NH+]2CCC3(CC[NH2+]C3)CC2)O1 ZINC000634687885 343245330 /nfs/dbraw/zinc/24/53/30/343245330.db2.gz BUYSSSFYGCVBAK-QWHCGFSZSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@H]1CC[C@H](CN2CCC[C@H]3C[NH2+]C[C@H]32)O1 ZINC000634688200 343245814 /nfs/dbraw/zinc/24/58/14/343245814.db2.gz LMFCZFLXZMPHLL-WUHRBBMRSA-N 2 0 224.348 1.238 20 0 BDADRP C[NH2+]CCC1CC[NH+](CCCOC)CC1 ZINC000069730537 343290129 /nfs/dbraw/zinc/29/01/29/343290129.db2.gz QVCCYLQMBWCTSW-UHFFFAOYSA-N 2 0 214.353 1.344 20 0 BDADRP CC(C)[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000037859788 187253558 /nfs/dbraw/zinc/25/35/58/187253558.db2.gz KJDIPNZFGGDRAA-RYUDHWBXSA-N 2 0 214.353 1.077 20 0 BDADRP CC[C@@H](COC)[NH2+]CC(C)(C)C[NH+](C)C ZINC000070623655 343335858 /nfs/dbraw/zinc/33/58/58/343335858.db2.gz PIQOBFRBDKAWIU-NSHDSACASA-N 2 0 216.369 1.589 20 0 BDADRP CC[C@@H](COC)[NH2+]CCCC[NH+](C)C ZINC000070624351 343335951 /nfs/dbraw/zinc/33/59/51/343335951.db2.gz FERBDISJBUFDTN-NSHDSACASA-N 2 0 202.342 1.343 20 0 BDADRP O=C(C[C@H]1CCC[NH2+]1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000335653880 136305931 /nfs/dbraw/zinc/30/59/31/136305931.db2.gz ODJMXOJTMJXPFG-GFCCVEGCSA-N 2 0 245.326 1.370 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](CCn2cc(C)cn2)C1 ZINC000310243718 343400585 /nfs/dbraw/zinc/40/05/85/343400585.db2.gz USAZFXDJHBXAJD-ZDUSSCGKSA-N 2 0 236.363 1.123 20 0 BDADRP CC[NH+](CC)Cc1ccc(CNC(=O)C[NH3+])cc1 ZINC000040833159 343410024 /nfs/dbraw/zinc/41/00/24/343410024.db2.gz NZKGNUBVUZRDOJ-UHFFFAOYSA-N 2 0 249.358 1.103 20 0 BDADRP CC[N@H+](CCC[NH+](C)C)C[C@@H]1CCCOC1 ZINC000349361562 136343356 /nfs/dbraw/zinc/34/33/56/136343356.db2.gz BOCZNQYMOPFISY-ZDUSSCGKSA-N 2 0 228.380 1.687 20 0 BDADRP CC[C@H](O)[C@H](CC)[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400338069 529711831 /nfs/dbraw/zinc/71/18/31/529711831.db2.gz HYOCWSNXJRFILL-BJDJZHNGSA-N 2 0 214.353 1.124 20 0 BDADRP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H]1CCOC[C@H]1C ZINC000353969706 136357135 /nfs/dbraw/zinc/35/71/35/136357135.db2.gz CFCYDHFKFHPFDI-REWJHTLYSA-N 2 0 240.391 1.589 20 0 BDADRP CO[C@H](C)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000167126482 136368335 /nfs/dbraw/zinc/36/83/35/136368335.db2.gz ZBHIFHPBGWIZFP-AXFHLTTASA-N 2 0 200.326 1.094 20 0 BDADRP COCCCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247977545 136373451 /nfs/dbraw/zinc/37/34/51/136373451.db2.gz HZDYTZCEUBXQIZ-UONOGXRCSA-N 2 0 240.391 1.829 20 0 BDADRP CSC[C@@H]1CCC[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261542347 136374374 /nfs/dbraw/zinc/37/43/74/136374374.db2.gz GSWVJVZDUFGBSN-RYUDHWBXSA-N 2 0 228.405 1.813 20 0 BDADRP C(C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)C1CCC1 ZINC000398662623 488221628 /nfs/dbraw/zinc/22/16/28/488221628.db2.gz PARSVPOGHQBLDU-AWEZNQCLSA-N 2 0 237.391 1.156 20 0 BDADRP C[C@H](O)C[N@H+](CCC[NH3+])C1CCCCC1 ZINC000083676397 343495595 /nfs/dbraw/zinc/49/55/95/343495595.db2.gz RKZWFTZBGGQNCW-NSHDSACASA-N 2 0 214.353 1.351 20 0 BDADRP CC[NH2+]CCCNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000580562678 365760237 /nfs/dbraw/zinc/76/02/37/365760237.db2.gz XDBZBJPCIFEMNC-UHFFFAOYSA-N 2 0 247.342 1.019 20 0 BDADRP CCC[C@H](C)[N@H+](C)C[C@@H](O)CN(C)CCOC ZINC000310563683 343537834 /nfs/dbraw/zinc/53/78/34/343537834.db2.gz WPLHPBDRFVTCAR-STQMWFEESA-N 2 0 246.395 1.046 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]CC2=CCCOC2)C1 ZINC000379584274 343577835 /nfs/dbraw/zinc/57/78/35/343577835.db2.gz ULUYCBHBOAMSCN-ZDUSSCGKSA-N 2 0 238.375 1.653 20 0 BDADRP CCCC[N@H+](CCO)C[C@@H]1CCC[NH2+]C1 ZINC000087647799 343656125 /nfs/dbraw/zinc/65/61/25/343656125.db2.gz BLVFEYFFQZCQSS-GFCCVEGCSA-N 2 0 214.353 1.080 20 0 BDADRP CC(C)OCC[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000087979822 343682917 /nfs/dbraw/zinc/68/29/17/343682917.db2.gz JSRDTAYTFQRACD-LBPRGKRZSA-N 2 0 214.353 1.485 20 0 BDADRP CCN1CCC([NH2+][C@@H](C)CCCC[NH3+])CC1 ZINC000309343789 343718323 /nfs/dbraw/zinc/71/83/23/343718323.db2.gz LFHVMFYBHNJUSH-LBPRGKRZSA-N 2 0 227.396 1.578 20 0 BDADRP Cc1cnccc1NC(=O)C[C@H](C)n1ccnc1 ZINC000584175810 343769060 /nfs/dbraw/zinc/76/90/60/343769060.db2.gz MKSOCINJRYIFSE-NSHDSACASA-N 2 0 244.298 1.598 20 0 BDADRP CC[C@@H]([NH2+]CCOCC[NH3+])c1c(C)noc1C ZINC000570451265 323059927 /nfs/dbraw/zinc/05/99/27/323059927.db2.gz CHFHTTHFPVKOPM-LLVKDONJSA-N 2 0 241.335 1.307 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000043428076 187354549 /nfs/dbraw/zinc/35/45/49/187354549.db2.gz RXNPTMKGQXEAGH-UONOGXRCSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000577178948 343907194 /nfs/dbraw/zinc/90/71/94/343907194.db2.gz VVKAUNOLADHQBR-GXFFZTMASA-N 2 0 220.316 1.412 20 0 BDADRP [NH3+][C@]12CCC[C@H]1C[N@H+](C[C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC000621785041 343908303 /nfs/dbraw/zinc/90/83/03/343908303.db2.gz YCGDLSLHVNDTDB-NDKCEZKHSA-N 2 0 220.360 1.846 20 0 BDADRP COc1ccc(C[NH2+]CCc2cncn2C)cn1 ZINC000401863493 343915306 /nfs/dbraw/zinc/91/53/06/343915306.db2.gz YTORFQSGCXKYQC-UHFFFAOYSA-N 2 0 246.314 1.156 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CC2(F)CC2)C1 ZINC000634733388 344113270 /nfs/dbraw/zinc/11/32/70/344113270.db2.gz DSHSYZKERLNRRS-SNVBAGLBSA-N 2 0 214.328 1.856 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](N[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000634733968 344114681 /nfs/dbraw/zinc/11/46/81/344114681.db2.gz SXZHIOKGEWOLRI-AVGNSLFASA-N 2 0 239.407 1.352 20 0 BDADRP C[C@@H]([NH2+]CCCC[NH+](C)C)[C@@H]1CCOC1 ZINC000132994088 344310515 /nfs/dbraw/zinc/31/05/15/344310515.db2.gz WYQCHCYUMSHVMF-VXGBXAGGSA-N 2 0 214.353 1.343 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCSC(C)(C)C1 ZINC000133335469 344315543 /nfs/dbraw/zinc/31/55/43/344315543.db2.gz ABWSFNUVXGVEHW-UHFFFAOYSA-N 2 0 202.367 1.423 20 0 BDADRP CC[N@H+](C)C[C@@H]1CCN(Cc2ccn(C)c2)C1 ZINC000093770231 344322200 /nfs/dbraw/zinc/32/22/00/344322200.db2.gz INLGRPWUHUBNLQ-AWEZNQCLSA-N 2 0 235.375 1.799 20 0 BDADRP COC(=O)CCCC[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000600708209 344360614 /nfs/dbraw/zinc/36/06/14/344360614.db2.gz DOAJRFRZNZYDBU-NWDGAFQWSA-N 2 0 242.363 1.246 20 0 BDADRP CC[C@H]1C[N@H+](CCCCC(=O)OC)CC[C@H]1[NH3+] ZINC000600709270 344361088 /nfs/dbraw/zinc/36/10/88/344361088.db2.gz IBDBCZHFLRJOPW-NWDGAFQWSA-N 2 0 242.363 1.389 20 0 BDADRP CN1CCC[C@H]1C[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000092629234 344299931 /nfs/dbraw/zinc/29/99/31/344299931.db2.gz KKNUVNWJHGQVAP-KBPBESRZSA-N 2 0 239.407 1.402 20 0 BDADRP c1cc2c(ncnc2NCCC[NH2+]C2CC2)[nH]1 ZINC000634811806 344396488 /nfs/dbraw/zinc/39/64/88/344396488.db2.gz QWACYKNXPFULKU-UHFFFAOYSA-N 2 0 231.303 1.464 20 0 BDADRP Nc1ncnc(N[C@H]2CC[C@H]([NH3+])CC2)c1Cl ZINC000634813224 344398111 /nfs/dbraw/zinc/39/81/11/344398111.db2.gz CSEUHVMUMJUYBW-LJGSYFOKSA-N 2 0 241.726 1.394 20 0 BDADRP CCOCC(C)(C)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000381211319 344485699 /nfs/dbraw/zinc/48/56/99/344485699.db2.gz DZCKFNRMGXMCKP-NEPJUHHUSA-N 2 0 228.380 1.909 20 0 BDADRP CSC1(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000389359625 344496838 /nfs/dbraw/zinc/49/68/38/344496838.db2.gz CUOGNDINFISMKT-QWRGUYRKSA-N 2 0 226.389 1.423 20 0 BDADRP Cc1n[nH]cc1C[NH2+]CCCC[NH+](C)C ZINC000045598251 344573164 /nfs/dbraw/zinc/57/31/64/344573164.db2.gz HVTBVFVGCPIEKJ-UHFFFAOYSA-N 2 0 210.325 1.150 20 0 BDADRP CC(C)C[C@H]([NH3+])C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000161879308 187359461 /nfs/dbraw/zinc/35/94/61/187359461.db2.gz KOIKJYZNRUUXPF-NEPJUHHUSA-N 2 0 243.395 1.192 20 0 BDADRP CC(C)CCOCC[NH+]1CCC([NH3+])CC1 ZINC000049264649 344601385 /nfs/dbraw/zinc/60/13/85/344601385.db2.gz DTMWPJQESVEXBH-UHFFFAOYSA-N 2 0 214.353 1.472 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)[C@H](O)C(F)F ZINC000570942076 323076115 /nfs/dbraw/zinc/07/61/15/323076115.db2.gz NZWVCUSIAPWRCW-JXUBOQSCSA-N 2 0 236.306 1.251 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)CCS1 ZINC000158591839 344689382 /nfs/dbraw/zinc/68/93/82/344689382.db2.gz UXQJLXYQKHBJLG-GHMZBOCLSA-N 2 0 214.378 1.423 20 0 BDADRP Cc1cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)no1 ZINC000158664520 344712557 /nfs/dbraw/zinc/71/25/57/344712557.db2.gz MARDXCAHCNTGLO-OCCSQVGLSA-N 2 0 249.358 1.899 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CN1CC[NH+](CCCF)CC1 ZINC000626069991 344714764 /nfs/dbraw/zinc/71/47/64/344714764.db2.gz UPTPOQXCKYBFQQ-CYBMUJFWSA-N 2 0 243.370 1.058 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CN[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000300408974 530058054 /nfs/dbraw/zinc/05/80/54/530058054.db2.gz WMABSQNIQCQQLA-MELADBBJSA-N 2 0 237.391 1.297 20 0 BDADRP C[N@@H+]1CCC[C@@H](CNc2ccccn2)C1 ZINC000044537714 187292797 /nfs/dbraw/zinc/29/27/97/187292797.db2.gz IHKLKHWAVJHDDM-NSHDSACASA-N 2 0 205.305 1.835 20 0 BDADRP CCCC[N@H+](C)CCNc1ccnc(C)n1 ZINC000078252147 344837505 /nfs/dbraw/zinc/83/75/05/344837505.db2.gz SOGVCHMFRZFBHP-UHFFFAOYSA-N 2 0 222.336 1.929 20 0 BDADRP C[C@H](CC[NH+](C)C)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156065076 345122699 /nfs/dbraw/zinc/12/26/99/345122699.db2.gz DOOALPWVSSBPNZ-MGPQQGTHSA-N 2 0 239.407 1.543 20 0 BDADRP CC(C)[C@H](C[NH3+])CN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000634996664 345191217 /nfs/dbraw/zinc/19/12/17/345191217.db2.gz QHRQMASDEAWYNQ-XQQFMLRXSA-N 2 0 227.396 1.134 20 0 BDADRP C[NH2+]C[C@H]1CCCN(C[C@@H](C[NH3+])C(C)C)C1 ZINC000634991044 345174007 /nfs/dbraw/zinc/17/40/07/345174007.db2.gz NXWSPEQWVHFPEK-CHWSQXEVSA-N 2 0 227.396 1.149 20 0 BDADRP C(N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)C12CC(C1)C[NH2+]2 ZINC000634991232 345174045 /nfs/dbraw/zinc/17/40/45/345174045.db2.gz VOINAGPZTIIZRU-GQKFXUNGSA-N 2 0 249.402 1.202 20 0 BDADRP C([N@H+]1C[C@@H]2CCCC[C@@H]2C1)C12CC(C1)C[NH2+]2 ZINC000634996781 345181297 /nfs/dbraw/zinc/18/12/97/345181297.db2.gz VGCNMJBPDLSNLS-AKJUYKBHSA-N 2 0 220.360 1.860 20 0 BDADRP CC(C)[C@H](C[NH3+])CNC[C@H]([NH3+])c1ccccc1 ZINC000634995246 345184197 /nfs/dbraw/zinc/18/41/97/345184197.db2.gz YXAOTBQCUDPQLQ-KGLIPLIRSA-N 2 0 235.375 1.507 20 0 BDADRP c1ccc2c(c1)C[C@H](NCC13CC(C1)C[NH2+]3)CO2 ZINC000634995312 345184577 /nfs/dbraw/zinc/18/45/77/345184577.db2.gz AKOGZTBUDSTQCU-QRJNDHJOSA-N 2 0 244.338 1.332 20 0 BDADRP CC(C)[C@H](C[NH3+])CNC[C@@]1(C)CCC[NH2+]C1 ZINC000634995625 345185236 /nfs/dbraw/zinc/18/52/36/345185236.db2.gz KWKBMERRGNDNBM-OLZOCXBDSA-N 2 0 227.396 1.197 20 0 BDADRP C[C@@H]1C[C@@H](C)N(CC23CC(C2)C[NH2+]3)C[C@@H]1C[NH3+] ZINC000634996916 345186838 /nfs/dbraw/zinc/18/68/38/345186838.db2.gz YVIZSUAACNTLDI-WCCYQHBJSA-N 2 0 237.391 1.044 20 0 BDADRP C[C@@H]1CCCN(CC23CC(C2)C[NH2+]3)[C@H]1CC[NH3+] ZINC000634996258 345187408 /nfs/dbraw/zinc/18/74/08/345187408.db2.gz DUTVPSJQPFIFNA-ZIHBUVQPSA-N 2 0 237.391 1.188 20 0 BDADRP C([NH+]1C[C@H]2CCC[C@@H]2C1)C12CC(C1)C[NH2+]2 ZINC000634992764 345188007 /nfs/dbraw/zinc/18/80/07/345188007.db2.gz AGXGBLRPLISGCQ-QZQSVVMZSA-N 2 0 206.333 1.470 20 0 BDADRP C[C@@H]1CC[C@@H](C[N@@H+]2CC[C@@](C)(C[NH3+])C2)O1 ZINC000235347230 537890610 /nfs/dbraw/zinc/89/06/10/537890610.db2.gz BEKQYVJLHIGCSH-WOPDTQHZSA-N 2 0 212.337 1.225 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CCCCC[C@H]([NH3+])C1 ZINC000634997223 345194483 /nfs/dbraw/zinc/19/44/83/345194483.db2.gz GTNXFTRORNAJDE-QWHCGFSZSA-N 2 0 227.396 1.563 20 0 BDADRP COCc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)o1 ZINC000634999509 345200251 /nfs/dbraw/zinc/20/02/51/345200251.db2.gz VPFLZGYKTDLLKJ-WDEREUQCSA-N 2 0 238.331 1.453 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C2CCC(C[NH3+])CC2)[C@H](C)O1 ZINC000635001666 345200650 /nfs/dbraw/zinc/20/06/50/345200650.db2.gz XUQYJLJDFZSVTG-OVIZCXLRSA-N 2 0 226.364 1.659 20 0 BDADRP c1cc2n(n1)CCC[C@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000635002700 345204773 /nfs/dbraw/zinc/20/47/73/345204773.db2.gz XLBRNYZTXMQVNI-NWDGAFQWSA-N 2 0 234.347 1.450 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC(C)(C)F ZINC000635003078 345205337 /nfs/dbraw/zinc/20/53/37/345205337.db2.gz FQUDKYZYBFJTDW-UWVGGRQHSA-N 2 0 202.317 1.712 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000635003901 345207124 /nfs/dbraw/zinc/20/71/24/345207124.db2.gz MJCMEXPPNSQOHM-TUAOUCFPSA-N 2 0 214.353 1.397 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000635004519 345207624 /nfs/dbraw/zinc/20/76/24/345207624.db2.gz IQOKZTVMCKJFSC-AJBSGBCOSA-N 2 0 200.326 1.268 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635004716 345208460 /nfs/dbraw/zinc/20/84/60/345208460.db2.gz DSTLYXCGVLFLHG-QWHCGFSZSA-N 3 0 241.423 1.872 20 0 BDADRP C[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635004738 345208478 /nfs/dbraw/zinc/20/84/78/345208478.db2.gz KFMRCFFLZILFBP-FIQHERPVSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@H]1COCC[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635004728 345208680 /nfs/dbraw/zinc/20/86/80/345208680.db2.gz KEIWBVIYDMTNKN-CYDGBPFRSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635004734 345208727 /nfs/dbraw/zinc/20/87/27/345208727.db2.gz KEIWBVIYDMTNKN-LPWJVIDDSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC(C)(C)F ZINC000635005566 345209633 /nfs/dbraw/zinc/20/96/33/345209633.db2.gz VDHXWKFOCROORL-IVZWLZJFSA-N 2 0 218.316 1.076 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CCCC[NH2+]1 ZINC000635005874 345209832 /nfs/dbraw/zinc/20/98/32/345209832.db2.gz PSVDRQRLRNHGAG-SYQHCUMBSA-N 2 0 239.407 1.624 20 0 BDADRP CC1(C)C[NH2+]CC[C@H](N[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000635006841 345211440 /nfs/dbraw/zinc/21/14/40/345211440.db2.gz ODHLFUJAXVSAPB-QJPTWQEYSA-N 2 0 225.380 1.234 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C2CCC(O)CC2)C1 ZINC000635011715 345213669 /nfs/dbraw/zinc/21/36/69/345213669.db2.gz PAULGQFSPRYQHJ-CPCZMJQVSA-N 2 0 240.391 1.658 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C2CCC(O)CC2)C1 ZINC000635011717 345213687 /nfs/dbraw/zinc/21/36/87/345213687.db2.gz PAULGQFSPRYQHJ-OTTFEQOBSA-N 2 0 240.391 1.658 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635011885 345213732 /nfs/dbraw/zinc/21/37/32/345213732.db2.gz PXACSZVVTSTCSF-UPJWGTAASA-N 2 0 240.391 1.779 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000635011791 345213992 /nfs/dbraw/zinc/21/39/92/345213992.db2.gz HTRCGBOIULGXHX-IWSPIJDZSA-N 2 0 240.269 1.281 20 0 BDADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000635008120 345216031 /nfs/dbraw/zinc/21/60/31/345216031.db2.gz ZODVFCOJFHUBRP-XUXIUFHCSA-N 3 0 239.407 1.611 20 0 BDADRP C[C@H](NCC[C@@H]([NH3+])Cc1ccccc1)C1C[NH2+]C1 ZINC000635008644 345216543 /nfs/dbraw/zinc/21/65/43/345216543.db2.gz RZFAPLBEBBIFRR-SWLSCSKDSA-N 2 0 247.386 1.144 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)C1 ZINC000635013097 345217488 /nfs/dbraw/zinc/21/74/88/345217488.db2.gz QNSQKYPMLTXMOQ-JQCXWYLXSA-N 2 0 222.254 1.797 20 0 BDADRP C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH+](C)C ZINC000635255061 345288637 /nfs/dbraw/zinc/28/86/37/345288637.db2.gz KTYACGLGYMMFHW-LLVKDONJSA-N 2 0 243.395 1.031 20 0 BDADRP CC[NH2+]CC1CC[NH+](CCCCOC)CC1 ZINC000158524616 345344999 /nfs/dbraw/zinc/34/49/99/345344999.db2.gz FKUISUDEXSWJDE-UHFFFAOYSA-N 2 0 228.380 1.735 20 0 BDADRP CC(C)C[C@@H](C)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000300837279 187302225 /nfs/dbraw/zinc/30/22/25/187302225.db2.gz CTLKADREZREWTE-UPJWGTAASA-N 2 0 210.365 1.820 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CC[C@@H](O)C1)C1CC[NH+](C)CC1 ZINC000235531327 537895578 /nfs/dbraw/zinc/89/55/78/537895578.db2.gz VRJJHMKAFGRBHF-SGMGOOAPSA-N 2 0 240.391 1.467 20 0 BDADRP COCCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000158906191 345389383 /nfs/dbraw/zinc/38/93/83/345389383.db2.gz CDLYIXOXIZCYQS-STQMWFEESA-N 2 0 226.364 1.439 20 0 BDADRP CC[C@H](COC)[NH2+]CCCC[NH+]1CCOCC1 ZINC000158841727 345382446 /nfs/dbraw/zinc/38/24/46/345382446.db2.gz GLUHUNUOTXCTQE-CYBMUJFWSA-N 2 0 244.379 1.113 20 0 BDADRP CC(C)[NH+]1CCC(NC[C@H](C)[NH+](C)C)CC1 ZINC000038088991 187302859 /nfs/dbraw/zinc/30/28/59/187302859.db2.gz ZITVOZOATJAFLU-LBPRGKRZSA-N 2 0 227.396 1.399 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000134027932 345396333 /nfs/dbraw/zinc/39/63/33/345396333.db2.gz CDCMRYPNLWFVII-QWRGUYRKSA-N 2 0 200.326 1.095 20 0 BDADRP C[C@H](CCNC(N)=[NH2+])[N@H+](C)Cc1ccccc1 ZINC000081781045 345492169 /nfs/dbraw/zinc/49/21/69/345492169.db2.gz DKOMZKDJPPQAOU-LLVKDONJSA-N 2 0 234.347 1.380 20 0 BDADRP CC1(C)OCC[C@@H]1[NH2+]C1CCN(C2CC2)CC1 ZINC000335919879 187304641 /nfs/dbraw/zinc/30/46/41/187304641.db2.gz WNLFXRNVIKXYKL-ZDUSSCGKSA-N 2 0 238.375 1.770 20 0 BDADRP C[NH+](C)Cc1ccc(NC(=O)C(C)(C)C[NH3+])cc1 ZINC000137411805 345625629 /nfs/dbraw/zinc/62/56/29/345625629.db2.gz GQZWAWXMHZQJFK-UHFFFAOYSA-N 2 0 249.358 1.672 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC[C@H]1CCOC1 ZINC000563135046 323094632 /nfs/dbraw/zinc/09/46/32/323094632.db2.gz DECLVUKOMZXHLD-DCAQKATOSA-N 2 0 200.326 1.128 20 0 BDADRP CC[C@H](O)CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000159988804 345772679 /nfs/dbraw/zinc/77/26/79/345772679.db2.gz DBIFVIOGBOMAEP-XQQFMLRXSA-N 2 0 226.364 1.364 20 0 BDADRP Cc1nccc(NC[C@@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000054936082 345785069 /nfs/dbraw/zinc/78/50/69/345785069.db2.gz VZNPKOOAYPXYRL-LBPRGKRZSA-N 2 0 234.347 1.927 20 0 BDADRP CC(C)[N@H+](C)CCN[C@H]1CCC[NH2+]CC1 ZINC000168748157 535010842 /nfs/dbraw/zinc/01/08/42/535010842.db2.gz PFHUKGXSTJQILD-LBPRGKRZSA-N 2 0 213.369 1.058 20 0 BDADRP CCO[C@H](CC[NH+](C)C)C[NH2+]CC(C)(C)C ZINC000150996659 537921951 /nfs/dbraw/zinc/92/19/51/537921951.db2.gz UFBHXRAMTNUDEP-GFCCVEGCSA-N 2 0 230.396 1.979 20 0 BDADRP Cc1c(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cnn1C ZINC000093651379 187360905 /nfs/dbraw/zinc/36/09/05/187360905.db2.gz CIZQNIOTOKCUPD-PWSUYJOCSA-N 2 0 236.363 1.288 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)C(C)(C)[NH3+])cc1 ZINC000563164155 323099043 /nfs/dbraw/zinc/09/90/43/323099043.db2.gz ZPOMBYSLQZIVHW-UHFFFAOYSA-N 2 0 221.304 1.082 20 0 BDADRP CC(C)[C@H](O)C1(C[NH2+]C2CCC([NH3+])CC2)CC1 ZINC000331947558 187365415 /nfs/dbraw/zinc/36/54/15/187365415.db2.gz JOGYGRIIMJXVDD-BPCQOVAHSA-N 2 0 240.391 1.643 20 0 BDADRP COC[C@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)C1CC1 ZINC000090717924 537945118 /nfs/dbraw/zinc/94/51/18/537945118.db2.gz ARSCOEOJDPTUQR-RISCZKNCSA-N 2 0 240.391 1.731 20 0 BDADRP C[N@H+](CCCC[NH2+]Cc1ccc(=O)[nH]c1)C1CC1 ZINC000631156227 346272177 /nfs/dbraw/zinc/27/21/77/346272177.db2.gz YBOPFLLECCPXOA-UHFFFAOYSA-N 2 0 249.358 1.751 20 0 BDADRP CC[C@@H](CSC)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000217329936 346299392 /nfs/dbraw/zinc/29/93/92/346299392.db2.gz AJFOZZQEOBQULH-NWDGAFQWSA-N 2 0 246.420 1.174 20 0 BDADRP Cc1nc(CN(C)CC[N@H+](C)C2CC2)[nH]c1C ZINC000628280205 346290935 /nfs/dbraw/zinc/29/09/35/346290935.db2.gz WACQKJDUEODZAZ-UHFFFAOYSA-N 2 0 236.363 1.553 20 0 BDADRP C([C@H]1CCCCO1)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000381557859 346346563 /nfs/dbraw/zinc/34/65/63/346346563.db2.gz PHGZNWWOVUBMQN-JHJVBQTASA-N 2 0 224.348 1.239 20 0 BDADRP C[N@@H+]1CCCC[C@@H](CNCc2ccncc2N)C1 ZINC000641773639 362712668 /nfs/dbraw/zinc/71/26/68/362712668.db2.gz JQCLABHQMWNVEM-LBPRGKRZSA-N 2 0 248.374 1.485 20 0 BDADRP CO[C@H](CC(C)C)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000419200960 192102455 /nfs/dbraw/zinc/10/24/55/192102455.db2.gz FCMFTEBRAKELNH-UONOGXRCSA-N 2 0 242.407 1.931 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000563435565 323125434 /nfs/dbraw/zinc/12/54/34/323125434.db2.gz NAKROTHDUJEHAJ-NZEXEKPDSA-N 2 0 226.364 1.659 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCCO1 ZINC000563425465 323126055 /nfs/dbraw/zinc/12/60/55/323126055.db2.gz QXBVFTYWLSFXEQ-FVCCEPFGSA-N 2 0 226.364 1.804 20 0 BDADRP CC(C)(C)[C@@H](C[NH3+])NCc1ccns1 ZINC000641799379 362748000 /nfs/dbraw/zinc/74/80/00/362748000.db2.gz LUSHLFOZDNAMLD-SECBINFHSA-N 2 0 213.350 1.606 20 0 BDADRP CC(C)(C)[C@H](C[NH3+])NCc1ccns1 ZINC000641799381 362748401 /nfs/dbraw/zinc/74/84/01/362748401.db2.gz LUSHLFOZDNAMLD-VIFPVBQESA-N 2 0 213.350 1.606 20 0 BDADRP C[C@H]1[C@@H]([NH3+])CCN1C[C@H]1CCC2(CCCC2)O1 ZINC000641799448 362748726 /nfs/dbraw/zinc/74/87/26/362748726.db2.gz MZBSAQVBJZIHED-XQQFMLRXSA-N 2 0 238.375 1.900 20 0 BDADRP Cc1ccc(CC[NH2+][C@@H](C)C[C@H](C)[NH3+])o1 ZINC000580708733 346504988 /nfs/dbraw/zinc/50/49/88/346504988.db2.gz QGQGJEGRVHWKBG-UWVGGRQHSA-N 2 0 210.321 1.846 20 0 BDADRP C[C@@H]1CC[C@@H](CN)[N@H+](CC2CC[NH2+]CC2)[C@H]1C ZINC000641805625 362763069 /nfs/dbraw/zinc/76/30/69/362763069.db2.gz FWSRSSLFMQDKSM-DYEKYZERSA-N 2 0 239.407 1.434 20 0 BDADRP CC1(C)c2ccccc2CC[N@H+]1CCOCC[NH3+] ZINC000641801558 362755978 /nfs/dbraw/zinc/75/59/78/362755978.db2.gz SJCLBLGOZHRKRG-UHFFFAOYSA-N 2 0 248.370 1.755 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)C1CCC1 ZINC000641801548 362756402 /nfs/dbraw/zinc/75/64/02/362756402.db2.gz SEWCYTHWHNMICC-GRYCIOLGSA-N 2 0 226.364 1.517 20 0 BDADRP CC1(C)[C@H]([NH2+]Cc2cccc(N)c2)C[C@@H]1[NH3+] ZINC000641802781 362759515 /nfs/dbraw/zinc/75/95/15/362759515.db2.gz OUGRQEDZDLZSBN-NWDGAFQWSA-N 2 0 219.332 1.484 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CO1 ZINC000402166837 349974832 /nfs/dbraw/zinc/97/48/32/349974832.db2.gz SWHTWMRZCATHNU-XVIXHAIJSA-N 2 0 238.375 1.674 20 0 BDADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]CC2(C)COC2)C1 ZINC000352766356 187370657 /nfs/dbraw/zinc/37/06/57/187370657.db2.gz WICHDASYENUEMI-ZDUSSCGKSA-N 2 0 240.391 1.733 20 0 BDADRP CC[NH+]1CCC([NH2+]CC2(CC)COC2)CC1 ZINC000309614689 347122257 /nfs/dbraw/zinc/12/22/57/347122257.db2.gz CKZSFTBFBRJGRI-UHFFFAOYSA-N 2 0 226.364 1.487 20 0 BDADRP COCC1(CC[NH2+][C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000580329009 347168638 /nfs/dbraw/zinc/16/86/38/347168638.db2.gz SZGQEAQKYMYNAI-RYUDHWBXSA-N 2 0 226.364 1.520 20 0 BDADRP C[NH2+]CCCN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000582063417 347157609 /nfs/dbraw/zinc/15/76/09/347157609.db2.gz FMFVBIPQTJPDIZ-QWHCGFSZSA-N 2 0 225.380 1.202 20 0 BDADRP C[C@H]1C[C@@H](C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)CC[NH2+]1 ZINC000582062274 347160282 /nfs/dbraw/zinc/16/02/82/347160282.db2.gz APPYGLXUGVAWFY-FQUUOJAGSA-N 2 0 238.375 1.485 20 0 BDADRP CCOC(=O)CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601333186 347225318 /nfs/dbraw/zinc/22/53/18/347225318.db2.gz CCNZNHYPWJPLMW-RYUDHWBXSA-N 2 0 240.347 1.014 20 0 BDADRP CO[C@@H]([C@@H](C)[NH2+][C@H](C)CCC[NH3+])C1CC1 ZINC000388279644 347287830 /nfs/dbraw/zinc/28/78/30/347287830.db2.gz KNUQVEOSEDRFQH-FOGDFJRCSA-N 2 0 214.353 1.517 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)[C@H](OC)C1CC1 ZINC000388304946 347303787 /nfs/dbraw/zinc/30/37/87/347303787.db2.gz PFFCBXWRFYVYME-WXHSDQCUSA-N 2 0 244.379 1.143 20 0 BDADRP CCOCCCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000388382075 347375619 /nfs/dbraw/zinc/37/56/19/347375619.db2.gz RQMPSXVDXBJIFX-OLZOCXBDSA-N 2 0 228.380 1.910 20 0 BDADRP [NH3+][C@H]1C[C@@H](N[C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000333336981 537989746 /nfs/dbraw/zinc/98/97/46/537989746.db2.gz XGXLMGXNMSKJDI-DDTOSNHZSA-N 2 0 231.343 1.473 20 0 BDADRP C[C@H]1CC[C@@H](C[N@H+](C)CC(C)(C)C[NH3+])O1 ZINC000149781200 347518262 /nfs/dbraw/zinc/51/82/62/347518262.db2.gz RDGPMMVRCIHPAD-QWRGUYRKSA-N 2 0 214.353 1.471 20 0 BDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CC[C@H]1CCCO1 ZINC000252688914 535063822 /nfs/dbraw/zinc/06/38/22/535063822.db2.gz PSOQIHLSVWJVDI-CHWSQXEVSA-N 2 0 228.380 1.861 20 0 BDADRP CC[C@@H](O)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000305064679 323166966 /nfs/dbraw/zinc/16/69/66/323166966.db2.gz HMNYCHOQBYGULE-YNEHKIRRSA-N 2 0 228.380 1.419 20 0 BDADRP CC[C@@H](C)[C@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000319569892 259398693 /nfs/dbraw/zinc/39/86/93/259398693.db2.gz QSZAVRBNYPCTIU-OLZOCXBDSA-N 2 0 227.396 1.306 20 0 BDADRP CC[NH2+]CCC[NH2+][C@@H](C)CC(=O)N(CC)CC ZINC000577383041 365940524 /nfs/dbraw/zinc/94/05/24/365940524.db2.gz LYGWFBORUYODDL-LBPRGKRZSA-N 2 0 243.395 1.223 20 0 BDADRP C[N@H+](CCNC(=O)CCCC[NH3+])C1CCCC1 ZINC000070203815 349978176 /nfs/dbraw/zinc/97/81/76/349978176.db2.gz REBFJSWBISMVFT-UHFFFAOYSA-N 2 0 241.379 1.106 20 0 BDADRP Cc1ccccc1[C@H]([NH3+])C(=O)NCCC[NH+](C)C ZINC000083381535 179342041 /nfs/dbraw/zinc/34/20/41/179342041.db2.gz HPAJTLZCJPWDFQ-ZDUSSCGKSA-N 2 0 249.358 1.063 20 0 BDADRP Cc1cccnc1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000235786414 179376134 /nfs/dbraw/zinc/37/61/34/179376134.db2.gz KTGGMFQLHCNARZ-CYBMUJFWSA-N 2 0 219.332 1.561 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)O1 ZINC000397477155 362888351 /nfs/dbraw/zinc/88/83/51/362888351.db2.gz IEYINBGWWCEONU-MQLXINIDSA-N 2 0 240.391 1.859 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@H](O)C2)CC1(C)C ZINC000623505325 362928668 /nfs/dbraw/zinc/92/86/68/362928668.db2.gz YVUUJRUZDGYRDN-AGIUHOORSA-N 2 0 240.391 1.610 20 0 BDADRP Cc1cnc(C[NH2+]CCCC[NH+](C)C)s1 ZINC000295226987 179605013 /nfs/dbraw/zinc/60/50/13/179605013.db2.gz ROCRLIXWJUJLFE-UHFFFAOYSA-N 2 0 227.377 1.883 20 0 BDADRP Cc1c[nH+]ccc1N1C[C@H](C[NH3+])C[C@@H]1C ZINC000127001319 179705843 /nfs/dbraw/zinc/70/58/43/179705843.db2.gz KQUMDVSKJHPHPU-QWRGUYRKSA-N 2 0 205.305 1.564 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000054242672 348961107 /nfs/dbraw/zinc/96/11/07/348961107.db2.gz JNVCOPNYIUQQGU-OLZOCXBDSA-N 2 0 236.363 1.203 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2CO)CC1(C)C ZINC000628301717 349077154 /nfs/dbraw/zinc/07/71/54/349077154.db2.gz DFKKGWPUQNFCSU-FRRDWIJNSA-N 2 0 240.391 1.610 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCOC2)[C@@H](C)C1 ZINC000246840859 349107600 /nfs/dbraw/zinc/10/76/00/349107600.db2.gz CDYZPULUGKVAIJ-MJBXVCDLSA-N 2 0 240.391 1.733 20 0 BDADRP COC(=O)CCCC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000599292534 349149290 /nfs/dbraw/zinc/14/92/90/349149290.db2.gz GAJLVKKIEDMFPW-LBPRGKRZSA-N 2 0 242.363 1.213 20 0 BDADRP CC[N@@H+]1CC[C@H](CN[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000250398336 349170269 /nfs/dbraw/zinc/17/02/69/349170269.db2.gz YVYHYWCLCNZAMP-AGIUHOORSA-N 2 0 225.380 1.188 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H]2CCO[C@H]2C)C1 ZINC000252745301 349208562 /nfs/dbraw/zinc/20/85/62/349208562.db2.gz PEVNENPVNFGETM-XQQFMLRXSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@H](c1cnccn1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252840449 349219243 /nfs/dbraw/zinc/21/92/43/349219243.db2.gz BPFRPQXEPYUVJX-MROQNXINSA-N 2 0 246.358 1.597 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2CCC[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000252142976 349196778 /nfs/dbraw/zinc/19/67/78/349196778.db2.gz NMJODPFECKVZHB-MROQNXINSA-N 2 0 225.380 1.329 20 0 BDADRP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000388590486 349203637 /nfs/dbraw/zinc/20/36/37/349203637.db2.gz LCGBHVOVDUMNIY-RDBSUJKOSA-N 2 0 240.391 1.611 20 0 BDADRP O=c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c[nH]1 ZINC000392704406 349316538 /nfs/dbraw/zinc/31/65/38/349316538.db2.gz VLTXOHXHAKKUBI-STQMWFEESA-N 2 0 247.342 1.504 20 0 BDADRP CC[C@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)OC ZINC000623528545 362946916 /nfs/dbraw/zinc/94/69/16/362946916.db2.gz SMZPSWIXISAJPH-NWDGAFQWSA-N 2 0 228.380 1.874 20 0 BDADRP COC[C@H](C)C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000300914674 349429480 /nfs/dbraw/zinc/42/94/80/349429480.db2.gz XVKYVXGTAYIPII-MNOVXSKESA-N 2 0 214.353 1.247 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCOC2)C1 ZINC000070968182 350077144 /nfs/dbraw/zinc/07/71/44/350077144.db2.gz QPSATRDGNGMACF-NWDGAFQWSA-N 2 0 212.337 1.095 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCOC[C@@H]2C)CC1 ZINC000302165462 350049182 /nfs/dbraw/zinc/04/91/82/350049182.db2.gz ZBJCGIBJCCGIPQ-GXTWGEPZSA-N 2 0 240.391 1.733 20 0 BDADRP CCC[N@H+](CC(C)C)C[C@@H](O)CN(C)CC ZINC000380986227 350111143 /nfs/dbraw/zinc/11/11/43/350111143.db2.gz DEPJBZIIOSDZBL-ZDUSSCGKSA-N 2 0 230.396 1.667 20 0 BDADRP CC[C@H](C)[C@@H](O)C[NH2+][C@H](C)CCCC[NH3+] ZINC000422718246 192440840 /nfs/dbraw/zinc/44/08/40/192440840.db2.gz WTQQZBGUQIVYMY-TUAOUCFPSA-N 2 0 216.369 1.501 20 0 BDADRP COCCCC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000132406817 191032013 /nfs/dbraw/zinc/03/20/13/191032013.db2.gz RVWATYPRWVQBFE-RYUDHWBXSA-N 2 0 214.353 1.343 20 0 BDADRP CC[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000124404238 490359016 /nfs/dbraw/zinc/35/90/16/490359016.db2.gz NCFAYMQSUVPCPF-YIYPIFLZSA-N 2 0 240.391 1.658 20 0 BDADRP CCC(CC)(C[NH3+])C(=O)Nc1ccc(C[NH3+])cc1 ZINC000427313381 191058319 /nfs/dbraw/zinc/05/83/19/191058319.db2.gz JPPSDZHIRQVIDX-UHFFFAOYSA-N 2 0 249.358 1.849 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@@H](C)C1 ZINC000309210523 350191504 /nfs/dbraw/zinc/19/15/04/350191504.db2.gz DLCRYDDHGKTZIW-AVGNSLFASA-N 2 0 228.380 1.277 20 0 BDADRP CC(C)[NH+](CCN[C@@H]1C[NH2+]CC[C@@H]1C)C(C)C ZINC000422760894 192457225 /nfs/dbraw/zinc/45/72/25/192457225.db2.gz QOLIZSAHPLEXKQ-UONOGXRCSA-N 2 0 241.423 1.693 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)CCC[NH3+] ZINC000308656735 229638533 /nfs/dbraw/zinc/63/85/33/229638533.db2.gz NWJYBFXXADQONH-GMTAPVOTSA-N 2 0 200.326 1.271 20 0 BDADRP Cc1ncsc1CCN(C)[C@H](C[NH3+])C1CC1 ZINC000126757722 180307683 /nfs/dbraw/zinc/30/76/83/180307683.db2.gz HOXBDWCPGWMLLQ-LLVKDONJSA-N 2 0 239.388 1.663 20 0 BDADRP Cc1ncsc1CCN1CCC[C@H]([NH3+])C1 ZINC000050285431 180308910 /nfs/dbraw/zinc/30/89/10/180308910.db2.gz SMPNHXGIQCGZFV-JTQLQIEISA-N 2 0 225.361 1.417 20 0 BDADRP Cc1ncsc1CC[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227068141 180308936 /nfs/dbraw/zinc/30/89/36/180308936.db2.gz BLRJUSNEZJTSAU-GXSJLCMTSA-N 2 0 239.388 1.663 20 0 BDADRP Cc1ncsc1CCN1CCC[C@H]1C[NH3+] ZINC000133245867 180308947 /nfs/dbraw/zinc/30/89/47/180308947.db2.gz LEOJSDHMFFUDHN-JTQLQIEISA-N 2 0 225.361 1.417 20 0 BDADRP Cc1ncsc1CC[NH+]1CCC(C[NH3+])CC1 ZINC000050285433 180309284 /nfs/dbraw/zinc/30/92/84/180309284.db2.gz RRPJGQOENSVDLI-UHFFFAOYSA-N 2 0 239.388 1.665 20 0 BDADRP Cc1ncsc1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000070838219 180319915 /nfs/dbraw/zinc/31/99/15/180319915.db2.gz BOJOTLGPGIKWPQ-NSHDSACASA-N 2 0 239.388 1.931 20 0 BDADRP CC(C)[C@@H]1C[C@@H]([NH2+]CCC[NH+](C)C)CCO1 ZINC000069858521 350416860 /nfs/dbraw/zinc/41/68/60/350416860.db2.gz WFWBDAMDYAQSIK-STQMWFEESA-N 2 0 228.380 1.731 20 0 BDADRP C[N@H+](CCOCC[NH3+])C1CCCCC1 ZINC000034216856 350464664 /nfs/dbraw/zinc/46/46/64/350464664.db2.gz CSDAIAYEYIPVLL-UHFFFAOYSA-N 2 0 200.326 1.226 20 0 BDADRP C[NH+]1CCC(C[NH2+]C2CCC(C[NH3+])CC2)CC1 ZINC000422743847 192468608 /nfs/dbraw/zinc/46/86/08/192468608.db2.gz RZQJNBITVFQGAR-UHFFFAOYSA-N 3 0 239.407 1.435 20 0 BDADRP C[NH+]1CCC(CC[NH2+][C@H]2CCCOCC2)CC1 ZINC000163159249 350508132 /nfs/dbraw/zinc/50/81/32/350508132.db2.gz KJANMHUCYZRRIP-AWEZNQCLSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422788463 192468828 /nfs/dbraw/zinc/46/88/28/192468828.db2.gz VLHISERQHSJCLD-PNESKVBLSA-N 3 0 227.396 1.434 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@@](C)(O)C2)CC1(C)C ZINC000623551636 362972014 /nfs/dbraw/zinc/97/20/14/362972014.db2.gz ACLIYBMUZMAENM-WZRBSPASSA-N 2 0 226.364 1.362 20 0 BDADRP CCCCOCC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422791448 192469990 /nfs/dbraw/zinc/46/99/90/192469990.db2.gz YMCNWMWNCRLUDN-MNOVXSKESA-N 2 0 202.342 1.519 20 0 BDADRP Cc1ncc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)o1 ZINC000628308899 350784805 /nfs/dbraw/zinc/78/48/05/350784805.db2.gz PNUQCJBILNWQHZ-GFCCVEGCSA-N 2 0 237.347 1.805 20 0 BDADRP C([C@@H]1CCOC1)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000051953289 350871824 /nfs/dbraw/zinc/87/18/24/350871824.db2.gz PNLGTKDVBKUARJ-ZDUSSCGKSA-N 2 0 238.375 1.583 20 0 BDADRP CC[NH+]1CCC([NH2+]CCC2CCOCC2)CC1 ZINC000336698951 351041580 /nfs/dbraw/zinc/04/15/80/351041580.db2.gz JYGWNUYZIKBCAQ-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP CCC1CC[NH+](C[C@](C)(O)C[NH2+]C)CC1 ZINC000571648454 351388842 /nfs/dbraw/zinc/38/88/42/351388842.db2.gz QUHXTOQKMMKAJG-GFCCVEGCSA-N 2 0 214.353 1.079 20 0 BDADRP C[C@@H]1CN(CC[NH2+]C(C)(C)C)C[C@@H](C)[NH2+]1 ZINC000414680604 351588148 /nfs/dbraw/zinc/58/81/48/351588148.db2.gz ZAZPMLYFTPPUFE-GHMZBOCLSA-N 2 0 213.369 1.057 20 0 BDADRP C[C@@H]1CN(CC[NH2+]C(C)(C)C)C[C@H](C)[NH2+]1 ZINC000414680607 351588525 /nfs/dbraw/zinc/58/85/25/351588525.db2.gz ZAZPMLYFTPPUFE-PHIMTYICSA-N 2 0 213.369 1.057 20 0 BDADRP Cc1ccc(C[NH+]2CCC(C[NH3+])CC2)nc1 ZINC000088135750 351624830 /nfs/dbraw/zinc/62/48/30/351624830.db2.gz GZQQROMCAZLSQX-UHFFFAOYSA-N 2 0 219.332 1.561 20 0 BDADRP CC[NH2+][C@H](C)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000637857449 351717635 /nfs/dbraw/zinc/71/76/35/351717635.db2.gz WKYYMYVQTNWMIB-VHSXEESVSA-N 2 0 235.331 1.643 20 0 BDADRP CC[C@H](C)[C@@H](C[N@@H+]1CC[C@@H](C[NH+](C)C)C1)OC ZINC000638076824 351949595 /nfs/dbraw/zinc/94/95/95/351949595.db2.gz NHNCPKPZFAGDDP-MELADBBJSA-N 2 0 242.407 1.931 20 0 BDADRP CC[C@H](C)[C@@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)OC ZINC000638186075 352051133 /nfs/dbraw/zinc/05/11/33/352051133.db2.gz KLHTZZWSPFYAET-WUHRBBMRSA-N 2 0 226.364 1.199 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000638197411 352059698 /nfs/dbraw/zinc/05/96/98/352059698.db2.gz JOMMECPTMKDSOO-WOPDTQHZSA-N 2 0 241.379 1.136 20 0 BDADRP CC(C)C[C@@H]([NH3+])c1noc([C@@H](C[NH3+])C(C)C)n1 ZINC000339394688 191145598 /nfs/dbraw/zinc/14/55/98/191145598.db2.gz JTSIIBWSPMTWCQ-VHSXEESVSA-N 2 0 240.351 1.814 20 0 BDADRP CC[NH2+][C@H](C)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000638257673 352100803 /nfs/dbraw/zinc/10/08/03/352100803.db2.gz ZHBUTPZNOFFVLG-SNVBAGLBSA-N 2 0 235.331 1.343 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@H]1CS[C@@H](C)C1 ZINC000638360488 352171795 /nfs/dbraw/zinc/17/17/95/352171795.db2.gz SCBFLBXCPLSWIH-NWDGAFQWSA-N 2 0 246.420 1.438 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+]CCC[C@@H]2CCO2)C1 ZINC000638381000 352190794 /nfs/dbraw/zinc/19/07/94/352190794.db2.gz HCINXGGAFNTFPG-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@](C)(OC)C2CC2)C1 ZINC000638381348 352192906 /nfs/dbraw/zinc/19/29/06/352192906.db2.gz KIWYSVDBZDIRDN-OCCSQVGLSA-N 2 0 240.391 1.733 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@@](C)(OC)C2CC2)C1 ZINC000638381349 352193246 /nfs/dbraw/zinc/19/32/46/352193246.db2.gz KIWYSVDBZDIRDN-TZMCWYRMSA-N 2 0 240.391 1.733 20 0 BDADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@H](OC)C2CC2)C1 ZINC000638410248 352217599 /nfs/dbraw/zinc/21/75/99/352217599.db2.gz YIISTLAGQIPXGI-JSGCOSHPSA-N 2 0 240.391 1.733 20 0 BDADRP CO[C@](C)(C[NH2+]CCCC[NH+](C)C)C1CC1 ZINC000638450851 352257970 /nfs/dbraw/zinc/25/79/70/352257970.db2.gz JHNGHRWJEJBLAX-CYBMUJFWSA-N 2 0 228.380 1.733 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+]CCC[C@H]2CCO2)C1 ZINC000638452235 352262218 /nfs/dbraw/zinc/26/22/18/352262218.db2.gz VVVOSTJXQLJWAY-KGLIPLIRSA-N 2 0 240.391 1.877 20 0 BDADRP CC(C)(O)C[NH+]1CCC([NH2+]CC2CCC2)CC1 ZINC000638436504 352243877 /nfs/dbraw/zinc/24/38/77/352243877.db2.gz ADEUISUSOYKRQG-UHFFFAOYSA-N 2 0 240.391 1.611 20 0 BDADRP CCN(CC[NH3+])C(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000638516258 352343883 /nfs/dbraw/zinc/34/38/83/352343883.db2.gz PZBMRUSJSAWNKM-GFCCVEGCSA-N 2 0 241.379 1.091 20 0 BDADRP CCC[NH+]1CCC(N[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414944607 352367440 /nfs/dbraw/zinc/36/74/40/352367440.db2.gz HCQDHNKFPDAJIG-JSGCOSHPSA-N 2 0 239.407 1.591 20 0 BDADRP C[NH+]1CCC(C[NH2+]CCC[C@@H]2CCO2)CC1 ZINC000638566984 352393687 /nfs/dbraw/zinc/39/36/87/352393687.db2.gz VAYDVPFYUBRHIT-CYBMUJFWSA-N 2 0 226.364 1.487 20 0 BDADRP CC[C@H]1CO[C@@H](C)C[N@@H+]1CC1CC[NH2+]CC1 ZINC000042451983 352622326 /nfs/dbraw/zinc/62/23/26/352622326.db2.gz JHQOVMSFVBTHLZ-AAEUAGOBSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000638764426 352703178 /nfs/dbraw/zinc/70/31/78/352703178.db2.gz CLPHSKBORXNLGF-GBIKHYSHSA-N 2 0 247.342 1.187 20 0 BDADRP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CCC1(O)CCC1 ZINC000342811270 352861982 /nfs/dbraw/zinc/86/19/82/352861982.db2.gz SSZJRPNHKSRNPD-AAEUAGOBSA-N 2 0 238.375 1.364 20 0 BDADRP Cc1nocc1CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000334349946 352980948 /nfs/dbraw/zinc/98/09/48/352980948.db2.gz FFVAJRKEXDRULV-TZMCWYRMSA-N 2 0 249.358 1.899 20 0 BDADRP C[N@H+]1CC=C(C[NH2+]C2CC(n3cccn3)C2)CC1 ZINC000638839106 353023917 /nfs/dbraw/zinc/02/39/17/353023917.db2.gz XLGWGYOBFBDPHY-UHFFFAOYSA-N 2 0 246.358 1.438 20 0 BDADRP CC[C@H](C(=O)N1CCCCC[C@H]([NH3+])C1)[NH+](C)C ZINC000638816420 352997365 /nfs/dbraw/zinc/99/73/65/352997365.db2.gz SCDVPOSZJHWPEF-NWDGAFQWSA-N 2 0 241.379 1.057 20 0 BDADRP C[C@@H]1CCN(CC[NH2+][C@@H]2CS[C@H](C)C2)C1 ZINC000638870640 353042852 /nfs/dbraw/zinc/04/28/52/353042852.db2.gz DUYYZDZBYAVQDV-UTUOFQBUSA-N 2 0 228.405 1.812 20 0 BDADRP COCC1(C[NH2+]CCN2CC[C@H](C)C2)CCC1 ZINC000638874898 353045082 /nfs/dbraw/zinc/04/50/82/353045082.db2.gz YKKZOUHXUKNDBG-ZDUSSCGKSA-N 2 0 240.391 1.735 20 0 BDADRP CCC[C@H](C[N@@H+]1CC[C@H]2CCN(C)C[C@H]21)OC ZINC000638919097 353083796 /nfs/dbraw/zinc/08/37/96/353083796.db2.gz YEAALIZTHFZKCQ-MGPQQGTHSA-N 2 0 240.391 1.828 20 0 BDADRP CC(C)[NH+]1CCC([N@H+](C)C[C@@H]2CCOC2)CC1 ZINC000336722374 188012286 /nfs/dbraw/zinc/01/22/86/188012286.db2.gz ZZIWDSHOVKELDW-ZDUSSCGKSA-N 2 0 240.391 1.828 20 0 BDADRP C[C@H](O)C[C@H](C)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000398681565 353129322 /nfs/dbraw/zinc/12/93/22/353129322.db2.gz NSEZYHVSCBBCQU-BJDJZHNGSA-N 2 0 214.353 1.253 20 0 BDADRP CC(C)C[C@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000262586978 188020489 /nfs/dbraw/zinc/02/04/89/188020489.db2.gz PFEORSRRWMEFGV-STQMWFEESA-N 2 0 249.358 1.176 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1cncnc1 ZINC000290320678 188036057 /nfs/dbraw/zinc/03/60/57/188036057.db2.gz CYKQHXPODYWJAT-AAEUAGOBSA-N 2 0 234.347 1.249 20 0 BDADRP C(C[NH+]1CCCCCC1)NC1CC[NH2+]CC1 ZINC000040767960 188043152 /nfs/dbraw/zinc/04/31/52/188043152.db2.gz ZEFZZQLTCOYSNC-UHFFFAOYSA-N 2 0 225.380 1.204 20 0 BDADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)CC[C@@H](C)[NH3+] ZINC000070315055 188047278 /nfs/dbraw/zinc/04/72/78/188047278.db2.gz FSRZWLNFPASERK-VXGBXAGGSA-N 2 0 243.395 1.206 20 0 BDADRP C1C[N@@H+]2CCCC[C@H]2[C@@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000129014518 188048360 /nfs/dbraw/zinc/04/83/60/188048360.db2.gz LQWIXPSFASFBFS-MCIONIFRSA-N 2 0 237.391 1.345 20 0 BDADRP Cc1ncc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)s1 ZINC000054309198 188048758 /nfs/dbraw/zinc/04/87/58/188048758.db2.gz AWMXOCJLXPKHSS-NSHDSACASA-N 2 0 239.388 1.931 20 0 BDADRP CC(C)([NH3+])CN1CCC(C[NH+]2CCCC2)CC1 ZINC000062036350 188049956 /nfs/dbraw/zinc/04/99/56/188049956.db2.gz UBWZPWGIOLDBQK-UHFFFAOYSA-N 2 0 239.407 1.532 20 0 BDADRP C(C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)C1CC[NH2+]CC1 ZINC000336366154 188056169 /nfs/dbraw/zinc/05/61/69/188056169.db2.gz XFDJQPNKKAWZCX-AWEZNQCLSA-N 3 0 237.391 1.062 20 0 BDADRP CC[N@@H+]1CC[C@@H](CNC2CC[NH+](CC)CC2)C1 ZINC000037643797 358475169 /nfs/dbraw/zinc/47/51/69/358475169.db2.gz MRZOFSNUWOLKCQ-ZDUSSCGKSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@H]([NH2+]CC1(CCO)CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422815589 192478977 /nfs/dbraw/zinc/47/89/77/192478977.db2.gz XZDYSJGRRADIES-STQMWFEESA-N 2 0 240.391 1.659 20 0 BDADRP COC[C@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000162153072 538111757 /nfs/dbraw/zinc/11/17/57/538111757.db2.gz VUFSYBMGWXZILN-QWHCGFSZSA-N 2 0 226.364 1.582 20 0 BDADRP CC[C@@]1(C(=O)Nc2cccc(C[NH3+])c2)CCC[NH2+]1 ZINC000134365217 538111852 /nfs/dbraw/zinc/11/18/52/538111852.db2.gz MLYPYPOOLUIEGA-AWEZNQCLSA-N 2 0 247.342 1.616 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000162778931 353330614 /nfs/dbraw/zinc/33/06/14/353330614.db2.gz SBQQSSZVDAQKTM-NWDGAFQWSA-N 2 0 243.395 1.206 20 0 BDADRP C[C@H](CC(N)=O)[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000252982592 353314103 /nfs/dbraw/zinc/31/41/03/353314103.db2.gz XEJMKZCMDWAZQP-IJLUTSLNSA-N 2 0 241.379 1.151 20 0 BDADRP CO[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)C(C)C ZINC000381779045 538115994 /nfs/dbraw/zinc/11/59/94/538115994.db2.gz KVPRNAUKRZSZFX-GXTWGEPZSA-N 2 0 242.407 1.977 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)[C@]1(CC)CCC[NH2+]1 ZINC000134369895 353495467 /nfs/dbraw/zinc/49/54/67/353495467.db2.gz DRDORNODFRBRII-AAEUAGOBSA-N 2 0 241.379 1.152 20 0 BDADRP CC1(C)CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000061820139 353541184 /nfs/dbraw/zinc/54/11/84/353541184.db2.gz XRHGNXNUQRAUNR-UHFFFAOYSA-N 2 0 225.380 1.014 20 0 BDADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCOC2)CC1 ZINC000165716443 353568574 /nfs/dbraw/zinc/56/85/74/353568574.db2.gz ZATWPLZWNIGHKM-CYBMUJFWSA-N 2 0 226.364 1.485 20 0 BDADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(C)(C)O ZINC000227737315 363247449 /nfs/dbraw/zinc/24/74/49/363247449.db2.gz ZDZONPNLBLIGPA-JTQLQIEISA-N 2 0 202.342 1.063 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000577887032 366096684 /nfs/dbraw/zinc/09/66/84/366096684.db2.gz BHDFSAHMGXABNP-KKOKHZNYSA-N 2 0 212.337 1.413 20 0 BDADRP C[N@H+]1C[C@H]2CN(Cc3cccc(F)c3N)C[C@H]2C1 ZINC000639112571 353707667 /nfs/dbraw/zinc/70/76/67/353707667.db2.gz DEJGBPVMKWBUCI-TXEJJXNPSA-N 2 0 249.333 1.401 20 0 BDADRP C[C@H]1C[N@H+](C)[C@@H](C)CN1CC[NH+]1CCCCC1 ZINC000334522782 353890150 /nfs/dbraw/zinc/89/01/50/353890150.db2.gz ZSHBDNXDGRLWTB-KBPBESRZSA-N 2 0 239.407 1.497 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)CN1CC[NH+]1CCCCC1 ZINC000334522797 353890763 /nfs/dbraw/zinc/89/07/63/353890763.db2.gz ZSHBDNXDGRLWTB-UONOGXRCSA-N 2 0 239.407 1.497 20 0 BDADRP CSCCCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000229209177 363274042 /nfs/dbraw/zinc/27/40/42/363274042.db2.gz LKTXRHXXOPQOJW-GHMZBOCLSA-N 2 0 216.394 1.847 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc3c[nH]nc32)C1 ZINC000334558970 354007633 /nfs/dbraw/zinc/00/76/33/354007633.db2.gz JEQWWQCAKJKXLU-CMPLNLGQSA-N 2 0 244.342 1.732 20 0 BDADRP CO[C@@](C)(C[N@H+](C)CCC[NH+](C)C)C1CC1 ZINC000639168422 354073578 /nfs/dbraw/zinc/07/35/78/354073578.db2.gz UDUPPVHWYQNLCO-ZDUSSCGKSA-N 2 0 228.380 1.685 20 0 BDADRP C[C@@H]1C[C@H](CO)CC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000344137928 354151737 /nfs/dbraw/zinc/15/17/37/354151737.db2.gz KADOROJGTGXWLV-MGPQQGTHSA-N 2 0 240.391 1.564 20 0 BDADRP CC(C)(C)[C@H]([NH3+])C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000449679979 202001128 /nfs/dbraw/zinc/00/11/28/202001128.db2.gz ATYYDFSLQZVAMT-GHMZBOCLSA-N 2 0 241.379 1.008 20 0 BDADRP CC(C)(C)[C@H]([NH3+])C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000449679980 202001305 /nfs/dbraw/zinc/00/13/05/202001305.db2.gz ATYYDFSLQZVAMT-WDEREUQCSA-N 2 0 241.379 1.008 20 0 BDADRP CC(C)C[C@H]([NH3+])C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000449689477 202002331 /nfs/dbraw/zinc/00/23/31/202002331.db2.gz ZPJNKEGCGHLPQU-NEPJUHHUSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@@H]1NCC[NH+](C)C1CCCC1 ZINC000344226791 354183478 /nfs/dbraw/zinc/18/34/78/354183478.db2.gz DMGVHZJJLBEOPF-OCCSQVGLSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@@H]1C[C@H](CN2CCC3(CC[NH2+]3)CC2)CC[NH2+]1 ZINC000334587517 354212872 /nfs/dbraw/zinc/21/28/72/354212872.db2.gz OOWDWBMNLXIKGO-CHWSQXEVSA-N 2 0 237.391 1.202 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+](CCCF)C2)C1 ZINC000334615366 354301655 /nfs/dbraw/zinc/30/16/55/354301655.db2.gz IPKPDRLRWHRJAS-NSHDSACASA-N 2 0 200.301 1.374 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCCF)C2)C1 ZINC000334615354 354301918 /nfs/dbraw/zinc/30/19/18/354301918.db2.gz IPKPDRLRWHRJAS-LLVKDONJSA-N 2 0 200.301 1.374 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000577960582 366145207 /nfs/dbraw/zinc/14/52/07/366145207.db2.gz MHCVXRKLEAIUSW-FRRDWIJNSA-N 3 0 225.380 1.188 20 0 BDADRP CC(C)[C@@H]1C[N@H+](C)CCN1C[C@@H]1CCC[NH2+]C1 ZINC000336054873 535260163 /nfs/dbraw/zinc/26/01/63/535260163.db2.gz PCCNXHNVAAFOSY-KGLIPLIRSA-N 2 0 239.407 1.258 20 0 BDADRP CCc1cc(N[C@@H]2CCn3ccnc3C2)cc[nH+]1 ZINC000334648995 354440343 /nfs/dbraw/zinc/44/03/43/354440343.db2.gz QKEWFMBFLCJLGR-CYBMUJFWSA-N 2 0 242.326 1.689 20 0 BDADRP Cc1nc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)cs1 ZINC000334646490 354436455 /nfs/dbraw/zinc/43/64/55/354436455.db2.gz JBCNVWVQBYSDRN-SECBINFHSA-N 2 0 248.355 1.822 20 0 BDADRP CCc1cc(N2CC[NH+](C3CC3)CC2)cc[nH+]1 ZINC000334647906 354438804 /nfs/dbraw/zinc/43/88/04/354438804.db2.gz WFNYBJZQPZLYMI-UHFFFAOYSA-N 2 0 231.343 1.928 20 0 BDADRP Cc1ccc(CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000334766647 354588637 /nfs/dbraw/zinc/58/86/37/354588637.db2.gz ORTUTIKJBUVWCJ-GASCZTMLSA-N 2 0 230.355 1.689 20 0 BDADRP CCC[C@@H](C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1)OC ZINC000639204284 354616073 /nfs/dbraw/zinc/61/60/73/354616073.db2.gz QIDBTGDHDJLBFW-KBPBESRZSA-N 2 0 240.391 1.829 20 0 BDADRP CCC[C@H](C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1)OC ZINC000639204286 354616104 /nfs/dbraw/zinc/61/61/04/354616104.db2.gz QIDBTGDHDJLBFW-KGLIPLIRSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@H]2CC[NH2+]2)cc1 ZINC000335133951 354782157 /nfs/dbraw/zinc/78/21/57/354782157.db2.gz XKUQUQUOPYQIDB-GZMMTYOYSA-N 2 0 219.288 1.007 20 0 BDADRP CCC(CC)[NH2+][C@H](CCC[NH3+])COC ZINC000232898732 363389159 /nfs/dbraw/zinc/38/91/59/363389159.db2.gz LIZFIOQMECSCMW-LLVKDONJSA-N 2 0 202.342 1.519 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]CCC[NH2+]C)C1(C)C ZINC000233765175 363407401 /nfs/dbraw/zinc/40/74/01/363407401.db2.gz PYCWGTHUKLRJLB-WDEREUQCSA-N 2 0 214.353 1.389 20 0 BDADRP C([C@H]1CCSC1)N1CC[NH+]2CCC1CC2 ZINC000335147138 354860040 /nfs/dbraw/zinc/86/00/40/354860040.db2.gz DKDOJWWNAZVLCY-LLVKDONJSA-N 2 0 226.389 1.520 20 0 BDADRP CC[C@H](CSC)[NH2+][C@H](CCC[NH3+])COC ZINC000234018829 363413253 /nfs/dbraw/zinc/41/32/53/363413253.db2.gz GAGDNTGOHCLTSN-GHMZBOCLSA-N 2 0 234.409 1.472 20 0 BDADRP C[NH2+]C[C@H]1CCCN1Cc1c(C)n[nH]c1C ZINC000346640265 355015488 /nfs/dbraw/zinc/01/54/88/355015488.db2.gz ARSNKYMTAJYSOS-LLVKDONJSA-N 2 0 222.336 1.210 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccccc1N(C)C ZINC000346693068 355075659 /nfs/dbraw/zinc/07/56/59/355075659.db2.gz KQZLTPWNUXXVQV-OLZOCXBDSA-N 2 0 247.386 1.922 20 0 BDADRP CC[C@@H]1C[C@H](C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)CCO1 ZINC000346695203 355077265 /nfs/dbraw/zinc/07/72/65/355077265.db2.gz YVIYEVUPGKGQCI-RFQIPJPRSA-N 2 0 240.391 1.861 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN[C@@H]1CC[NH2+]C12CCC2 ZINC000530245145 324549518 /nfs/dbraw/zinc/54/95/18/324549518.db2.gz UULASIMQEDTCJI-VXGBXAGGSA-N 2 0 225.380 1.234 20 0 BDADRP Cc1n[nH]c(C)c1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000346853504 355138729 /nfs/dbraw/zinc/13/87/29/355138729.db2.gz SSJUDUBRWRKZPU-WCFLWFBJSA-N 2 0 234.347 1.196 20 0 BDADRP C[C@@H]1CCN(CC[NH2+][C@H]2CSC[C@H]2C)C1 ZINC000380239314 358494912 /nfs/dbraw/zinc/49/49/12/358494912.db2.gz NAHYHWLQMDHJJQ-UTUOFQBUSA-N 2 0 228.405 1.669 20 0 BDADRP c1[nH]nc2cc(C[NH2+]C3CC[NH2+]CC3)ccc12 ZINC000335280739 355245588 /nfs/dbraw/zinc/24/55/88/355245588.db2.gz XSWUTDQWXQCLLR-UHFFFAOYSA-N 2 0 230.315 1.405 20 0 BDADRP CCC[NH+](CCC)CCCC(=O)N[C@H](C)C[NH3+] ZINC000347646134 355272902 /nfs/dbraw/zinc/27/29/02/355272902.db2.gz FMMMFJDMVNAKQI-GFCCVEGCSA-N 2 0 243.395 1.352 20 0 BDADRP C[NH+](C)C[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC000113513540 355249739 /nfs/dbraw/zinc/24/97/39/355249739.db2.gz XOXCIWOJUOTIRE-CYBMUJFWSA-N 2 0 226.364 1.297 20 0 BDADRP C[NH+](C)C[C@H]1CC[N@H+](CCOC(C)(C)C)C1 ZINC000113514115 355250338 /nfs/dbraw/zinc/25/03/38/355250338.db2.gz FETVCOITLPFTLZ-GFCCVEGCSA-N 2 0 228.380 1.685 20 0 BDADRP CC(C)OCC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113514674 355251231 /nfs/dbraw/zinc/25/12/31/355251231.db2.gz OTHNUMFFPXYTBH-LBPRGKRZSA-N 2 0 214.353 1.295 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CCO1 ZINC000388975913 355382629 /nfs/dbraw/zinc/38/26/29/355382629.db2.gz ZAIUJDDRNDOUKH-FDYHWXHSSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@H](O)C(C)(C)[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414714403 191553919 /nfs/dbraw/zinc/55/39/19/191553919.db2.gz VMUBWJSMTBWWEX-VWYCJHECSA-N 2 0 214.353 1.124 20 0 BDADRP Cc1n[nH]c(C)c1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000335783277 355431610 /nfs/dbraw/zinc/43/16/10/355431610.db2.gz NVUHXUBKOXNWIV-GZMMTYOYSA-N 2 0 222.336 1.196 20 0 BDADRP CCCC[C@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000414780217 191566782 /nfs/dbraw/zinc/56/67/82/191566782.db2.gz LHEVFTOCGVOFTG-ZDUSSCGKSA-N 2 0 227.396 1.450 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000414789555 191569513 /nfs/dbraw/zinc/56/95/13/191569513.db2.gz OJCQJWOHDFMHHK-YNEHKIRRSA-N 2 0 225.380 1.044 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1NCC[NH+]1CCCC1 ZINC000166444303 355464281 /nfs/dbraw/zinc/46/42/81/355464281.db2.gz NGNASSOGARBSRM-STQMWFEESA-N 2 0 225.380 1.012 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2cncc(F)c2)C1 ZINC000415013593 191650005 /nfs/dbraw/zinc/65/00/05/191650005.db2.gz YNAVYEWABIKXRW-GXFFZTMASA-N 2 0 237.322 1.828 20 0 BDADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cccc3c2OCO3)C1 ZINC000415051698 191654509 /nfs/dbraw/zinc/65/45/09/191654509.db2.gz ZNRMLDLBXCBBFJ-ZYHUDNBSSA-N 2 0 248.326 1.632 20 0 BDADRP CC[C@@H](COC)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415025465 191655897 /nfs/dbraw/zinc/65/58/97/191655897.db2.gz QCGFVUUZUPGBBC-AVGNSLFASA-N 2 0 228.380 1.766 20 0 BDADRP C[C@H](CC[NH3+])NC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000349989909 355547302 /nfs/dbraw/zinc/54/73/02/355547302.db2.gz OGJZMSBIAJINKT-GRYCIOLGSA-N 2 0 241.379 1.138 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000398646570 355547906 /nfs/dbraw/zinc/54/79/06/355547906.db2.gz AENNAGVZJURPFX-UPJWGTAASA-N 2 0 228.380 1.658 20 0 BDADRP C[C@H](CC[NH3+])NC(=O)[C@@H](c1ccccc1)N(C)C ZINC000349972524 355551442 /nfs/dbraw/zinc/55/14/42/355551442.db2.gz ZTFWADOLQTWLOT-DGCLKSJQSA-N 2 0 249.358 1.143 20 0 BDADRP Cc1nn(C(C)C)cc1C[NH2+][C@@H](C)CCC[NH3+] ZINC000415025928 191656764 /nfs/dbraw/zinc/65/67/64/191656764.db2.gz SBIADRVZKPVTBF-NSHDSACASA-N 2 0 238.379 1.989 20 0 BDADRP CC(C)C[C@H]([NH3+])CNC1(C)CC[NH2+]CC1 ZINC000414947868 191630860 /nfs/dbraw/zinc/63/08/60/191630860.db2.gz XHGBAWGQALQLKP-NSHDSACASA-N 2 0 213.369 1.092 20 0 BDADRP C[NH2+]Cc1ccc(NCC2(C[NH3+])CC2)cc1 ZINC000414982445 191640673 /nfs/dbraw/zinc/64/06/73/191640673.db2.gz YUHXNDSVTKWGTB-UHFFFAOYSA-N 2 0 219.332 1.557 20 0 BDADRP COC(=O)C(C)(C)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000415120482 191682170 /nfs/dbraw/zinc/68/21/70/191682170.db2.gz YFWQQRQOLKPWKP-UHFFFAOYSA-N 2 0 242.363 1.293 20 0 BDADRP C[C@@H]1CCC[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H]1C ZINC000415036437 191658961 /nfs/dbraw/zinc/65/89/61/191658961.db2.gz LUAPEEWCPHQXMW-DZDPUUJWSA-N 2 0 208.349 1.619 20 0 BDADRP C[C@@H]1[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@@H]1c1ccccc1 ZINC000415044533 191661433 /nfs/dbraw/zinc/66/14/33/191661433.db2.gz VKYJWUYKNNQNNE-NFTBJGIPSA-N 2 0 242.366 1.986 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+]CCC[NH2+]C2CC2)CC[NH2+]1 ZINC000415067349 191667213 /nfs/dbraw/zinc/66/72/13/191667213.db2.gz KRNROWAETFWZKL-VXGBXAGGSA-N 3 0 225.380 1.106 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]CCC[C@H]2CCO2)C1 ZINC000639312583 355680764 /nfs/dbraw/zinc/68/07/64/355680764.db2.gz KGTFKBPEUJXMJL-XQQFMLRXSA-N 2 0 226.364 1.485 20 0 BDADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H](C)[NH+](C)C ZINC000350898356 355870685 /nfs/dbraw/zinc/87/06/85/355870685.db2.gz VIRMPLGXFSZXHZ-VXGBXAGGSA-N 2 0 243.395 1.219 20 0 BDADRP [NH3+][C@H]1CCN(Cc2cccc3c2NCC3)C1 ZINC000336056116 134066216 /nfs/dbraw/zinc/06/62/16/134066216.db2.gz BLSWDPFRIWOESU-LBPRGKRZSA-N 2 0 217.316 1.188 20 0 BDADRP CC(C)(O)CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000261547610 535292959 /nfs/dbraw/zinc/29/29/59/535292959.db2.gz IGBCSPZRKBMWGM-UPJWGTAASA-N 2 0 240.391 1.658 20 0 BDADRP CC(C)(C(=O)NCCC[NH3+])[C@H]([NH3+])c1ccccc1 ZINC000417814579 191930011 /nfs/dbraw/zinc/93/00/11/191930011.db2.gz QPHWYXXFGQLZKQ-GFCCVEGCSA-N 2 0 249.358 1.178 20 0 BDADRP C[C@@H](CCCC[NH3+])NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000417858241 191935736 /nfs/dbraw/zinc/93/57/36/191935736.db2.gz UWAKKMFHLQMCNF-WOPDTQHZSA-N 2 0 241.379 1.008 20 0 BDADRP CC[NH+]1CCC([NH2+]CCCCCOC)CC1 ZINC000167139950 355961046 /nfs/dbraw/zinc/96/10/46/355961046.db2.gz SUNACZKRVUWEHV-UHFFFAOYSA-N 2 0 228.380 1.877 20 0 BDADRP C[C@H]1OCC[C@@H]1C[NH+]1CCC([NH+](C)C)CC1 ZINC000639450514 356234790 /nfs/dbraw/zinc/23/47/90/356234790.db2.gz QJRRRRNIPILGEG-VXGBXAGGSA-N 2 0 226.364 1.437 20 0 BDADRP CCOC(=O)CCCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000420297593 192204371 /nfs/dbraw/zinc/20/43/71/192204371.db2.gz YVHRCIDEQOUZNZ-NWDGAFQWSA-N 2 0 242.363 1.389 20 0 BDADRP C(C[N@@H+]1CCC[C@@H]2COCC[C@@H]21)[C@@H]1CC[NH2+]C1 ZINC000420299223 192204735 /nfs/dbraw/zinc/20/47/35/192204735.db2.gz IJVMVGRXEGHVIL-MJBXVCDLSA-N 2 0 238.375 1.487 20 0 BDADRP C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCCCO1 ZINC000420318535 192195333 /nfs/dbraw/zinc/19/53/33/192195333.db2.gz QCUAZTXAQCNBOP-MGPQQGTHSA-N 2 0 238.375 1.487 20 0 BDADRP CC[NH+](CC)CCC[NH+]1CCC(C[NH3+])CC1 ZINC000420270850 192196995 /nfs/dbraw/zinc/19/69/95/192196995.db2.gz JSVLQONJFDXAAN-UHFFFAOYSA-N 3 0 227.396 1.389 20 0 BDADRP NC[C@H]1CCCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420299515 192206801 /nfs/dbraw/zinc/20/68/01/192206801.db2.gz UANZHLUBCWPMHC-QWHCGFSZSA-N 2 0 225.380 1.189 20 0 BDADRP CC[NH+](CC)CCCNCC1([NH3+])CCC1 ZINC000420303179 192206938 /nfs/dbraw/zinc/20/69/38/192206938.db2.gz HICYRRDGXCYVPX-UHFFFAOYSA-N 2 0 213.369 1.189 20 0 BDADRP [NH3+]C[C@@H]1CCCN1CCC[NH+]1CCCCC1 ZINC000420282072 192200039 /nfs/dbraw/zinc/20/00/39/192200039.db2.gz AMLUNCZJCJOUDB-ZDUSSCGKSA-N 2 0 225.380 1.286 20 0 BDADRP CC(C)OC(=O)CC[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000420287306 192201052 /nfs/dbraw/zinc/20/10/52/192201052.db2.gz HUMSJJVGDIBTEE-NEPJUHHUSA-N 2 0 242.363 1.387 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000639493748 356316491 /nfs/dbraw/zinc/31/64/91/356316491.db2.gz BMUXWQSXOIQVIH-BFHYXJOUSA-N 2 0 240.391 1.685 20 0 BDADRP CN(CCC[NH+]1CCCCC1)CC(C)(C)C[NH3+] ZINC000420292510 192202409 /nfs/dbraw/zinc/20/24/09/192202409.db2.gz PLARGRDNQJPKTG-UHFFFAOYSA-N 2 0 241.423 1.779 20 0 BDADRP C[N@@H+](Cc1cc[nH]c(=O)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000639494007 356317822 /nfs/dbraw/zinc/31/78/22/356317822.db2.gz HNEYDCUGUNDVFZ-CYBMUJFWSA-N 2 0 249.358 1.561 20 0 BDADRP COc1cccc([C@@H](C)[N@H+](C)C[C@H](O)C[NH3+])c1 ZINC000420350068 192217879 /nfs/dbraw/zinc/21/78/79/192217879.db2.gz FQWUQBBVLURMRK-ZYHUDNBSSA-N 2 0 238.331 1.008 20 0 BDADRP C[C@H]1CN(CCC[NH+]2CCCCC2)C[C@H](C)[NH2+]1 ZINC000420300869 192207687 /nfs/dbraw/zinc/20/76/87/192207687.db2.gz VKGWIEIMQTUFST-KBPBESRZSA-N 2 0 239.407 1.545 20 0 BDADRP CC(C)(C)[C@H]1CCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000420304951 192208736 /nfs/dbraw/zinc/20/87/36/192208736.db2.gz PABNHTZYMSMCKE-CYBMUJFWSA-N 2 0 239.407 1.402 20 0 BDADRP CCOC(=O)CCCC[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000420311307 192210742 /nfs/dbraw/zinc/21/07/42/192210742.db2.gz GVJLWCMFDISWLQ-VXGBXAGGSA-N 2 0 242.363 1.389 20 0 BDADRP c1cc(CCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000420309736 192211733 /nfs/dbraw/zinc/21/17/33/192211733.db2.gz FILSPTNKWCLTRK-GJZGRUSLSA-N 2 0 245.370 1.556 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420310797 192211763 /nfs/dbraw/zinc/21/17/63/192211763.db2.gz QDSQXBGPDBKOLV-CHWSQXEVSA-N 2 0 227.396 1.387 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC[C@H]3CCCCO3)C[C@@H]12 ZINC000420308304 192211813 /nfs/dbraw/zinc/21/18/13/192211813.db2.gz NKHOFJKRHFUSOO-AAVRWANBSA-N 2 0 238.375 1.615 20 0 BDADRP C(C[N@@H+]1CCOC[C@H]1C1CC1)[C@H]1CC[NH2+]C1 ZINC000420370658 192227034 /nfs/dbraw/zinc/22/70/34/192227034.db2.gz YVVOSYSSFMQHAY-YPMHNXCESA-N 2 0 224.348 1.097 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)[C@@H](CN)C1 ZINC000420325895 192229653 /nfs/dbraw/zinc/22/96/53/192229653.db2.gz CACOYJMNMHDHDQ-HZSPNIEDSA-N 2 0 239.407 1.435 20 0 BDADRP COCC[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420324983 192229987 /nfs/dbraw/zinc/22/99/87/192229987.db2.gz HTICSNMMVPMNRA-MJBXVCDLSA-N 2 0 240.391 1.733 20 0 BDADRP CC[NH+](CC)CCCN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000420324261 192230183 /nfs/dbraw/zinc/23/01/83/192230183.db2.gz UWAVRTFWRIBUHO-QWHCGFSZSA-N 2 0 227.396 1.387 20 0 BDADRP CC[C@@H](c1ccccc1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420357689 192219840 /nfs/dbraw/zinc/21/98/40/192219840.db2.gz SLLCRVMFVPKMCD-OLZOCXBDSA-N 2 0 222.332 1.389 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000420361816 192221226 /nfs/dbraw/zinc/22/12/26/192221226.db2.gz MSZOTQDFYCQOHK-OLZOCXBDSA-N 3 0 239.407 1.354 20 0 BDADRP CC(C)(C)[C@@H](CN)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000420359722 192221994 /nfs/dbraw/zinc/22/19/94/192221994.db2.gz KFJPBZLFUNJSNW-NWDGAFQWSA-N 2 0 227.396 1.339 20 0 BDADRP C[NH2+]CCCN1CC[NH+](C2CCCCC2)CC1 ZINC000420359945 192222770 /nfs/dbraw/zinc/22/27/70/192222770.db2.gz LGPRLYBMLWTXDR-UHFFFAOYSA-N 2 0 239.407 1.546 20 0 BDADRP CCOCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420384463 192234664 /nfs/dbraw/zinc/23/46/64/192234664.db2.gz DVNNHRKKXKFPDO-ZIAGYGMSSA-N 2 0 240.391 1.877 20 0 BDADRP C(C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)OCC1CC1 ZINC000420388873 192235106 /nfs/dbraw/zinc/23/51/06/192235106.db2.gz XEZNCCRJFJFVPH-AWEZNQCLSA-N 2 0 238.375 1.489 20 0 BDADRP C[NH2+]CCCN(C)CCC[NH+]1CCCCC1 ZINC000420385329 192235438 /nfs/dbraw/zinc/23/54/38/192235438.db2.gz HKUZLDIJQMEDLJ-UHFFFAOYSA-N 2 0 227.396 1.404 20 0 BDADRP C[NH2+]CCC[N@H+](C)CCCn1ccnc1C ZINC000420391259 192236438 /nfs/dbraw/zinc/23/64/38/192236438.db2.gz RVYTYJGRDVIULU-UHFFFAOYSA-N 2 0 224.352 1.123 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)[C@H]1CCCO1 ZINC000420394798 192237626 /nfs/dbraw/zinc/23/76/26/192237626.db2.gz CSSZGKVAUNMWGQ-RWMBFGLXSA-N 2 0 226.364 1.533 20 0 BDADRP CC[C@H]1CCC[C@H]1[NH2+]CCOCC[NH3+] ZINC000420412107 192240706 /nfs/dbraw/zinc/24/07/06/192240706.db2.gz SCOUSXJMRAAMGT-WDEREUQCSA-N 2 0 200.326 1.130 20 0 BDADRP CC(C)OC(=O)CC[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420415239 192241279 /nfs/dbraw/zinc/24/12/79/192241279.db2.gz UXPKLMNDNVEQCX-RYUDHWBXSA-N 2 0 242.363 1.245 20 0 BDADRP C[C@H]([NH3+])CN[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000420412514 192241288 /nfs/dbraw/zinc/24/12/88/192241288.db2.gz SGYNQWJREWEEJN-IACUBPJLSA-N 2 0 233.359 1.369 20 0 BDADRP C[C@H]1CC[N@H+](CCCc2ccncc2)C[C@H]1C[NH3+] ZINC000420421837 192241753 /nfs/dbraw/zinc/24/17/53/192241753.db2.gz YVMMEHNWAAZXJB-DZGCQCFKSA-N 2 0 247.386 1.931 20 0 BDADRP CC[N@@H+]1CCN(CC[C@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000352676905 356401678 /nfs/dbraw/zinc/40/16/78/356401678.db2.gz VCQHGEUDAOXYIC-UONOGXRCSA-N 2 0 239.407 1.497 20 0 BDADRP COC[C@@H]1CCCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420377562 192232742 /nfs/dbraw/zinc/23/27/42/192232742.db2.gz SNHMBRHWTRQRQO-ZIAGYGMSSA-N 2 0 240.391 1.735 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@H]2C[C@@H](O)C2)C[C@@H]1C ZINC000420917780 192272633 /nfs/dbraw/zinc/27/26/33/192272633.db2.gz UBMCZXRWUHQAEV-IGQOVBAYSA-N 2 0 240.391 1.562 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000639653425 356564651 /nfs/dbraw/zinc/56/46/51/356564651.db2.gz AGXORNPDHZCSTQ-IHRRRGAJSA-N 2 0 238.375 1.439 20 0 BDADRP CCc1nc(CC[NH2+][C@@H](C)C[C@@H](C)[NH3+])cs1 ZINC000422901181 192512586 /nfs/dbraw/zinc/51/25/86/192512586.db2.gz KNULCRXEBGQPEF-ZJUUUORDSA-N 2 0 241.404 1.963 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000422950579 192523770 /nfs/dbraw/zinc/52/37/70/192523770.db2.gz YKDGVDDMLHQQIU-IRCOFANPSA-N 2 0 212.337 1.142 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC1(O)CCCCC1 ZINC000422975355 192533620 /nfs/dbraw/zinc/53/36/20/192533620.db2.gz SOTMMBUGFAKNKZ-GHMZBOCLSA-N 2 0 214.353 1.397 20 0 BDADRP Cc1cncc(C[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000423011935 192538256 /nfs/dbraw/zinc/53/82/56/192538256.db2.gz JQSBFENJQWZCSC-GFCCVEGCSA-N 2 0 221.348 1.997 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@H]1C[NH2+]CC[C@H]1C ZINC000423090317 192563617 /nfs/dbraw/zinc/56/36/17/192563617.db2.gz XIYQQXJHFILXHM-UPJWGTAASA-N 2 0 227.396 1.304 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000423059907 192553886 /nfs/dbraw/zinc/55/38/86/192553886.db2.gz NCTLZTOIGYERGP-LPWJVIDDSA-N 2 0 226.364 1.661 20 0 BDADRP CCc1cc(N2CCO[C@H](C[NH+](C)C)C2)cc[nH+]1 ZINC000450318467 202128380 /nfs/dbraw/zinc/12/83/80/202128380.db2.gz JTXSFXUJROEBEV-CQSZACIVSA-N 2 0 249.358 1.411 20 0 BDADRP C[C@H]1CC[N@H+](Cc2ccncc2)C[C@@H]1C[NH3+] ZINC000167606806 134153057 /nfs/dbraw/zinc/15/30/57/134153057.db2.gz WENUFAAYZKWSAW-AAEUAGOBSA-N 2 0 219.332 1.498 20 0 BDADRP C[C@H]1COCC[C@@H]1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000423115901 192573917 /nfs/dbraw/zinc/57/39/17/192573917.db2.gz YYTCYYIMDFCFHV-RJZJGCCBSA-N 2 0 240.391 1.766 20 0 BDADRP Clc1ccc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000088287681 356657124 /nfs/dbraw/zinc/65/71/24/356657124.db2.gz DUKLHUHLNMTVDZ-VXGBXAGGSA-N 2 0 236.746 1.991 20 0 BDADRP C[NH+]1CCC2(CC[N@H+](CCC(C)(C)O)C2)CC1 ZINC000639755871 356659029 /nfs/dbraw/zinc/65/90/29/356659029.db2.gz PTXCPISCUYIIPZ-UHFFFAOYSA-N 2 0 240.391 1.565 20 0 BDADRP CCSCC[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000167667339 134153545 /nfs/dbraw/zinc/15/35/45/134153545.db2.gz GSDVLQOPYKUWTK-GHMZBOCLSA-N 2 0 216.394 1.656 20 0 BDADRP C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@@](O)(CN(C)C)C1 ZINC000639761082 356675715 /nfs/dbraw/zinc/67/57/15/356675715.db2.gz CVSGYYNLXGBCTB-JHJVBQTASA-N 2 0 226.364 1.031 20 0 BDADRP CC(C)=CCC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761532 356677755 /nfs/dbraw/zinc/67/77/55/356677755.db2.gz GELUBXGINJVSRD-CQSZACIVSA-N 2 0 240.391 1.731 20 0 BDADRP Cc1nccn1CCCC[N@@H+]1CC[C@@H](CO)C1 ZINC000305612004 134160469 /nfs/dbraw/zinc/16/04/69/134160469.db2.gz AAEUKUPOYADGMI-CYBMUJFWSA-N 2 0 237.347 1.286 20 0 BDADRP c1cn(CC[N@@H+]2CCC[C@@H]2c2cn[nH]c2)cn1 ZINC000639779149 356725951 /nfs/dbraw/zinc/72/59/51/356725951.db2.gz YGQZPAPPQGKCQE-GFCCVEGCSA-N 2 0 231.303 1.443 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000578185497 366369098 /nfs/dbraw/zinc/36/90/98/366369098.db2.gz MLRWTIFVQSGUDF-YRGRVCCFSA-N 2 0 248.374 1.517 20 0 BDADRP CC1(C)CCC[N@@H+]1CCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000423160403 192596956 /nfs/dbraw/zinc/59/69/56/192596956.db2.gz HCTHRZFOHAOHSK-QWHCGFSZSA-N 2 0 239.407 1.578 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCOC2)CC1(C)C ZINC000623356317 356792366 /nfs/dbraw/zinc/79/23/66/356792366.db2.gz IJILCYJZVKTMAS-VXGBXAGGSA-N 2 0 226.364 1.485 20 0 BDADRP CCn1cc([C@H](C)[NH2+][C@@H](C)C[C@H](C)[NH3+])cn1 ZINC000423160649 192593363 /nfs/dbraw/zinc/59/33/63/192593363.db2.gz MLULWHILQDVJNQ-DCAQKATOSA-N 2 0 224.352 1.679 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000353466584 538744721 /nfs/dbraw/zinc/74/47/21/538744721.db2.gz ZRIKLKNRQSFIAV-ZIAGYGMSSA-N 2 0 242.407 1.979 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623383424 356907483 /nfs/dbraw/zinc/90/74/83/356907483.db2.gz TVICJRDUMNNPLZ-ZDUSSCGKSA-N 3 0 241.423 1.791 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCC(F)(F)[C@H]1O ZINC000423179731 192613022 /nfs/dbraw/zinc/61/30/22/192613022.db2.gz JWASFZUEGUJNFP-BBBLOLIVSA-N 2 0 236.306 1.252 20 0 BDADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000041680202 358513055 /nfs/dbraw/zinc/51/30/55/358513055.db2.gz FHAMXZDZAAHRBN-WDEREUQCSA-N 2 0 243.395 1.206 20 0 BDADRP CC(C)[C@H]1CC[C@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000353536557 538749486 /nfs/dbraw/zinc/74/94/86/538749486.db2.gz YDFINWMNEMECKM-CHWSQXEVSA-N 2 0 240.391 1.467 20 0 BDADRP CCCCOCC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000119598554 357029272 /nfs/dbraw/zinc/02/92/72/357029272.db2.gz DETZAPRDIPHGPT-QWHCGFSZSA-N 2 0 228.380 1.733 20 0 BDADRP CN(C)[C@]1(C[NH2+]CC2(C)CC2)CCSC1 ZINC000389875082 357058340 /nfs/dbraw/zinc/05/83/40/357058340.db2.gz LFCZVRIZJGKIJZ-LBPRGKRZSA-N 2 0 228.405 1.813 20 0 BDADRP CCO[C@H](CC[NH+](C)C)C[NH2+]CC1(F)CC1 ZINC000390502929 357098686 /nfs/dbraw/zinc/09/86/86/357098686.db2.gz VQMZPUQAQNBKIM-LLVKDONJSA-N 2 0 232.343 1.435 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccncc1 ZINC000423243531 192649157 /nfs/dbraw/zinc/64/91/57/192649157.db2.gz GLCJJRLQINSVFB-NWDGAFQWSA-N 2 0 219.332 1.732 20 0 BDADRP Cc1cc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)ccn1 ZINC000391143188 357122994 /nfs/dbraw/zinc/12/29/94/357122994.db2.gz SCHCDIOIABNPPQ-STQMWFEESA-N 2 0 219.332 1.750 20 0 BDADRP CC(C)(O)C(C)(C)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000393605132 357288941 /nfs/dbraw/zinc/28/89/41/357288941.db2.gz XSYKRXDAYZRUBC-MNOVXSKESA-N 2 0 228.380 1.643 20 0 BDADRP CC(C)SCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000393658390 357291707 /nfs/dbraw/zinc/29/17/07/357291707.db2.gz OMGOIGOJLQGXFW-GHMZBOCLSA-N 2 0 216.394 1.988 20 0 BDADRP C[N@@H+]1CCCC[C@@H](C[NH2+]CC[C@@H]2CCOC2)C1 ZINC000628425599 357252243 /nfs/dbraw/zinc/25/22/43/357252243.db2.gz PWYMOGDTZQRBQG-KGLIPLIRSA-N 2 0 240.391 1.735 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000394034325 357316089 /nfs/dbraw/zinc/31/60/89/357316089.db2.gz FTOHIZXBCRVECE-QJPTWQEYSA-N 2 0 214.353 1.110 20 0 BDADRP CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000582666817 357358993 /nfs/dbraw/zinc/35/89/93/357358993.db2.gz GTPBSGIKGTTXBW-QWRGUYRKSA-N 2 0 222.332 1.658 20 0 BDADRP CC(C)[NH2+]Cc1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000582857438 357421530 /nfs/dbraw/zinc/42/15/30/357421530.db2.gz PGRIOHRQHJHENG-UHFFFAOYSA-N 2 0 246.314 1.693 20 0 BDADRP CCCC[C@@H]([NH3+])C(=O)N(CC)CCC[NH+](C)C ZINC000230711106 357572910 /nfs/dbraw/zinc/57/29/10/357572910.db2.gz NSIXRYRQNBQZQW-GFCCVEGCSA-N 2 0 243.395 1.304 20 0 BDADRP CC[C@H]([NH3+])C(=O)N(CC)CCC[NH+](CC)CC ZINC000230712206 357574096 /nfs/dbraw/zinc/57/40/96/357574096.db2.gz PNBJEPFVUJRXIH-LBPRGKRZSA-N 2 0 243.395 1.304 20 0 BDADRP C[NH+](C)CCOCC[NH2+]Cc1ccc(Cl)o1 ZINC000231676650 357619886 /nfs/dbraw/zinc/61/98/86/357619886.db2.gz YXMXEPDHKWHCRY-UHFFFAOYSA-N 2 0 246.738 1.601 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@]1(C)CCCS1 ZINC000234726294 357820654 /nfs/dbraw/zinc/82/06/54/357820654.db2.gz TYBKYOOBSRDZAW-VXGBXAGGSA-N 2 0 246.420 1.616 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc(O)c2)C1 ZINC000168511610 134225243 /nfs/dbraw/zinc/22/52/43/134225243.db2.gz CGBNBFZGKPAGSI-CMPLNLGQSA-N 2 0 220.316 1.561 20 0 BDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCCO ZINC000235476945 357871312 /nfs/dbraw/zinc/87/13/12/357871312.db2.gz NSTOFDFKBGPDAZ-CHWSQXEVSA-N 2 0 228.380 1.659 20 0 BDADRP COc1ccc2c(c1)[C@@H]([NH2+]CCC[NH3+])CC2 ZINC000086244599 357875822 /nfs/dbraw/zinc/87/58/22/357875822.db2.gz GDGVIASPGWDJGR-ZDUSSCGKSA-N 2 0 220.316 1.621 20 0 BDADRP COCCCCC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000584411094 357913856 /nfs/dbraw/zinc/91/38/56/357913856.db2.gz JFIXPMKUOIDQPA-AWEZNQCLSA-N 2 0 240.391 1.879 20 0 BDADRP CC(C)C[C@H]([NH3+])c1noc([C@@H](C)[C@@H](C)[NH3+])n1 ZINC000584529130 358041988 /nfs/dbraw/zinc/04/19/88/358041988.db2.gz RMDKKZLEHLXXRA-YIZRAAEISA-N 2 0 226.324 1.566 20 0 BDADRP C([C@H]1CCC[NH2+]C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000220561624 358044152 /nfs/dbraw/zinc/04/41/52/358044152.db2.gz NJSSGJDKAKSUAZ-UONOGXRCSA-N 2 0 237.391 1.156 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@@H]1CCC[NH2+]CC1 ZINC000217749039 134249220 /nfs/dbraw/zinc/24/92/20/134249220.db2.gz GCQKIHNQGSZSPC-QWHCGFSZSA-N 2 0 227.396 1.448 20 0 BDADRP CCC1([NH+](C)C)CC[NH+](C[C@@H](O)C(C)C)CC1 ZINC000640016160 358068797 /nfs/dbraw/zinc/06/87/97/358068797.db2.gz UXSQVALJWKJIPG-CYBMUJFWSA-N 2 0 242.407 1.810 20 0 BDADRP COCC1(CC[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000584590240 358095861 /nfs/dbraw/zinc/09/58/61/358095861.db2.gz RLPMHPXBDXXGGZ-CHWSQXEVSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CC2(O)CCCCC2)CC[N@@H+]1C ZINC000134028100 325338442 /nfs/dbraw/zinc/33/84/42/325338442.db2.gz LKAHILGNLWQVRO-STQMWFEESA-N 2 0 240.391 1.754 20 0 BDADRP CC[C@]1(O)CCC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000640036877 358137088 /nfs/dbraw/zinc/13/70/88/358137088.db2.gz YOOIRUZQSVECBD-KBPBESRZSA-N 2 0 240.391 1.708 20 0 BDADRP CSC[C@H](O)C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000584775303 358175117 /nfs/dbraw/zinc/17/51/17/358175117.db2.gz GLBQNQRCTDWRFC-GFCCVEGCSA-N 2 0 246.420 1.174 20 0 BDADRP CC[C@@H]([NH3+])C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000040803413 358246479 /nfs/dbraw/zinc/24/64/79/358246479.db2.gz PCMAARGGFHVABR-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP CC[C@@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000040802607 358246950 /nfs/dbraw/zinc/24/69/50/358246950.db2.gz IIOAJCGKAXNRHC-CHWSQXEVSA-N 2 0 249.358 1.143 20 0 BDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@H]1CCCCO1 ZINC000252689350 366411055 /nfs/dbraw/zinc/41/10/55/366411055.db2.gz QXNFBJPIFKSNDP-CHWSQXEVSA-N 2 0 228.380 1.861 20 0 BDADRP C[N@@H+](C/C=C/c1ccccc1)CCC[NH3+] ZINC000227748391 358363067 /nfs/dbraw/zinc/36/30/67/358363067.db2.gz DTCJXRBRQYZPIJ-WEVVVXLNSA-N 2 0 204.317 1.980 20 0 BDADRP CSCCCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000229208025 358363626 /nfs/dbraw/zinc/36/36/26/358363626.db2.gz DTOILFWZXJCSDX-QWRGUYRKSA-N 2 0 216.394 1.989 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCOC[C@H]1C)C1CC[NH+](C)CC1 ZINC000302023726 491133161 /nfs/dbraw/zinc/13/31/61/491133161.db2.gz GKXQALLKJDKHSC-BZPMIXESSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)[C@H](C)CO ZINC000623427466 358436148 /nfs/dbraw/zinc/43/61/48/358436148.db2.gz AQOSHCUVERMWRB-UTUOFQBUSA-N 2 0 228.380 1.466 20 0 BDADRP Cc1ccc([C@H](C)[NH2+]CCOCC[NH+](C)C)o1 ZINC000219309803 134281246 /nfs/dbraw/zinc/28/12/46/134281246.db2.gz JQBBGRZUQJJVBO-LBPRGKRZSA-N 2 0 240.347 1.817 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]CCCC[NH+](C)C)CC1 ZINC000045662954 358564247 /nfs/dbraw/zinc/56/42/47/358564247.db2.gz GIBLSOPNOWAFMN-UHFFFAOYSA-N 3 0 241.423 1.791 20 0 BDADRP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C(C)C ZINC000042588490 358527489 /nfs/dbraw/zinc/52/74/89/358527489.db2.gz RNBSUQZETBOMIE-QWHCGFSZSA-N 2 0 228.380 1.467 20 0 BDADRP CC(C)[C@@H](C(=O)NCC[N@H+](C)C(C)C)[NH+](C)C ZINC000129948122 358602919 /nfs/dbraw/zinc/60/29/19/358602919.db2.gz XFBJUXVGMJBEBB-LBPRGKRZSA-N 2 0 243.395 1.029 20 0 BDADRP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000129375564 358585471 /nfs/dbraw/zinc/58/54/71/358585471.db2.gz ZEQLVQKLKQDWLQ-FVCCEPFGSA-N 2 0 238.375 1.362 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCc2ccco2)CC[N@@H+]1C ZINC000129668921 358592485 /nfs/dbraw/zinc/59/24/85/358592485.db2.gz OAWUAXKSRJLLKG-RYUDHWBXSA-N 2 0 222.332 1.894 20 0 BDADRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)[C@H]1CCCO1 ZINC000049332469 358683555 /nfs/dbraw/zinc/68/35/55/358683555.db2.gz APOWJVVZSROMDE-CHWSQXEVSA-N 2 0 226.364 1.629 20 0 BDADRP CC(C)[NH+]1CCC(N[C@H](C)CC[NH+](C)C)CC1 ZINC000049551847 358694501 /nfs/dbraw/zinc/69/45/01/358694501.db2.gz MRZNWBOVQXXLNA-CYBMUJFWSA-N 2 0 241.423 1.789 20 0 BDADRP C[NH+](C)CCCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000131909931 358700363 /nfs/dbraw/zinc/70/03/63/358700363.db2.gz FOSGYWVIFHAFOA-KBPBESRZSA-N 2 0 233.359 1.673 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(O)CCC1 ZINC000133421663 358754669 /nfs/dbraw/zinc/75/46/69/358754669.db2.gz VNLVVVXPBOSUAR-UTUOFQBUSA-N 2 0 226.364 1.220 20 0 BDADRP CC1(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)COC1 ZINC000132179567 358709720 /nfs/dbraw/zinc/70/97/20/358709720.db2.gz WPLGYONWEFQHOZ-OLZOCXBDSA-N 2 0 232.327 1.757 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(CO)CC1 ZINC000050104772 358715724 /nfs/dbraw/zinc/71/57/24/358715724.db2.gz FCTKOFDTRORBIY-CQSZACIVSA-N 2 0 240.391 1.565 20 0 BDADRP CCC[NH+]1CCC([NH2+]CC2CCOCC2)CC1 ZINC000052172487 358774930 /nfs/dbraw/zinc/77/49/30/358774930.db2.gz AHEHOYVLJJVOAM-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@@H](CC[NH3+])[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000136134398 358865325 /nfs/dbraw/zinc/86/53/25/358865325.db2.gz SPYABBJRVLHMIQ-JTQLQIEISA-N 2 0 236.315 1.285 20 0 BDADRP CC(C)[NH2+][C@H]1CCCN(CCCF)C1 ZINC000308569349 491137057 /nfs/dbraw/zinc/13/70/57/491137057.db2.gz DCBDTINCJUAMBX-NSHDSACASA-N 2 0 202.317 1.808 20 0 BDADRP COC[C@@H](C)C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000578299965 366476307 /nfs/dbraw/zinc/47/63/07/366476307.db2.gz CVQPVMHTXWBGKX-NSHDSACASA-N 2 0 233.315 1.706 20 0 BDADRP CC[N@H+](C)CCN[C@@H]1C[C@H](C)[NH+](C)C[C@@H]1C ZINC000054110299 358852705 /nfs/dbraw/zinc/85/27/05/358852705.db2.gz VPIWQBAQYPIIRB-RWMBFGLXSA-N 2 0 227.396 1.256 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000086403898 358968277 /nfs/dbraw/zinc/96/82/77/358968277.db2.gz VVFBDHDORPJARP-AVGNSLFASA-N 2 0 227.396 1.576 20 0 BDADRP [NH3+]CCCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000423327031 192707762 /nfs/dbraw/zinc/70/77/62/192707762.db2.gz MRQLZPFVRWXWHU-UPJWGTAASA-N 2 0 238.375 1.663 20 0 BDADRP C[N@@H+]1CCC[C@H]2CN(Cc3ncc[nH]3)CC[C@H]21 ZINC000247949333 359249423 /nfs/dbraw/zinc/24/94/23/359249423.db2.gz DWVKWFIAPVRZEM-NWDGAFQWSA-N 2 0 234.347 1.326 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](COC)C2CC2)C1 ZINC000247230831 359203690 /nfs/dbraw/zinc/20/36/90/359203690.db2.gz YGXYBQFRVCBFAV-TZMCWYRMSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1cnn(C)c1 ZINC000423458544 192778078 /nfs/dbraw/zinc/77/80/78/192778078.db2.gz KGGFRIDVRFTACI-GMXVVIOVSA-N 2 0 236.363 1.588 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423436017 192767793 /nfs/dbraw/zinc/76/77/93/192767793.db2.gz ZESVAJKCBDQONI-FDYHWXHSSA-N 2 0 228.380 1.765 20 0 BDADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)[C@H]1CCC[NH2+]1 ZINC000423536059 192806028 /nfs/dbraw/zinc/80/60/28/192806028.db2.gz GISGBXCANGHSGD-DGCLKSJQSA-N 3 0 223.364 1.026 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2C[NH3+])CCO1 ZINC000423541643 192808845 /nfs/dbraw/zinc/80/88/45/192808845.db2.gz FSORKFKMSJTUTM-LPWJVIDDSA-N 2 0 226.364 1.661 20 0 BDADRP C[NH+](C)CC1CCC([NH2+]C2CSC2)CC1 ZINC000309040228 491143117 /nfs/dbraw/zinc/14/31/17/491143117.db2.gz KRMYDQQSBFGKCS-UHFFFAOYSA-N 2 0 228.405 1.812 20 0 BDADRP C[C@@H]1CN(C)C[C@H]1[NH2+][C@H]1CCC(F)(F)C1 ZINC000309119090 491145146 /nfs/dbraw/zinc/14/51/46/491145146.db2.gz MTPRFEBYEZYESA-KXUCPTDWSA-N 2 0 218.291 1.714 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C[C@]1(C)CCCO1 ZINC000087233558 359903017 /nfs/dbraw/zinc/90/30/17/359903017.db2.gz JGGKUTSNUJVREX-AGIUHOORSA-N 2 0 226.364 1.676 20 0 BDADRP CCCC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000578656405 366622069 /nfs/dbraw/zinc/62/20/69/366622069.db2.gz VCKPZXPELCNALH-UHFFFAOYSA-N 2 0 240.391 1.613 20 0 BDADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1CCC[NH2+]C1 ZINC000578617451 366608809 /nfs/dbraw/zinc/60/88/09/366608809.db2.gz SSCGBXDQFOZERN-YUELXQCFSA-N 2 0 247.386 1.287 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)NC(=O)C1([NH3+])CC1 ZINC000088129669 359937554 /nfs/dbraw/zinc/93/75/54/359937554.db2.gz CDKRFEZMNQOZOL-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP CC[NH+](CC)CCCN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089139589 359991655 /nfs/dbraw/zinc/99/16/55/359991655.db2.gz OENQHAOQCVKYOV-KGLIPLIRSA-N 2 0 241.423 1.825 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCCOCC1CC1 ZINC000089140585 359992775 /nfs/dbraw/zinc/99/27/75/359992775.db2.gz UWTHAWMYKCWFCI-KGLIPLIRSA-N 2 0 240.391 1.910 20 0 BDADRP COC(=O)[C@@H](C)C[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000089425418 360019786 /nfs/dbraw/zinc/01/97/86/360019786.db2.gz KEFYJNRRFMVCLE-RYUDHWBXSA-N 2 0 242.363 1.212 20 0 BDADRP C[NH+](C)CC1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000089749276 360037223 /nfs/dbraw/zinc/03/72/23/360037223.db2.gz HIJRJQNIVBQJDH-CYBMUJFWSA-N 3 0 239.407 1.260 20 0 BDADRP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cn1 ZINC000089147922 359994009 /nfs/dbraw/zinc/99/40/09/359994009.db2.gz YHXJYBSFMYWIFK-NWDGAFQWSA-N 2 0 235.331 1.307 20 0 BDADRP C1C[C@H]2C[C@@H]([NH2+]C3CCOCC3)CC[N@@H+]2C1 ZINC000090714583 360084966 /nfs/dbraw/zinc/08/49/66/360084966.db2.gz BVZBHRHPPHGKLX-STQMWFEESA-N 2 0 224.348 1.382 20 0 BDADRP CC[C@@H](C)C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000093065007 360213777 /nfs/dbraw/zinc/21/37/77/360213777.db2.gz QMXLLFSEQMPTTR-GFCCVEGCSA-N 2 0 228.380 1.469 20 0 BDADRP CC(C)[C@@H](CO)[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093516881 360256190 /nfs/dbraw/zinc/25/61/90/360256190.db2.gz JZCFXZIJIQESCD-HZSPNIEDSA-N 2 0 242.407 1.904 20 0 BDADRP C[C@H](CCO)C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093516830 360256213 /nfs/dbraw/zinc/25/62/13/360256213.db2.gz JUGVEPPFFCIUIB-MCIONIFRSA-N 2 0 242.407 1.905 20 0 BDADRP COC[C@@H](C)C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000578966592 366680697 /nfs/dbraw/zinc/68/06/97/366680697.db2.gz PDTLUBPCALSBSU-AVGNSLFASA-N 2 0 228.380 1.624 20 0 BDADRP OC[C@@H](Cc1ccccc1)[NH2+]CC1CC[NH2+]CC1 ZINC000094010474 360294033 /nfs/dbraw/zinc/29/40/33/360294033.db2.gz YGUPWTNKZYDFMZ-OAHLLOKOSA-N 2 0 248.370 1.179 20 0 BDADRP C[C@@H](CO)CCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623474668 360410233 /nfs/dbraw/zinc/41/02/33/360410233.db2.gz LDMZHZKNJYCHBL-CHWSQXEVSA-N 2 0 242.407 1.857 20 0 BDADRP CO[C@@H](C)CC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000309429592 491149170 /nfs/dbraw/zinc/14/91/70/491149170.db2.gz FWYZLTUHHLXBFR-RYUDHWBXSA-N 2 0 228.380 1.731 20 0 BDADRP CC(C)[C@@H]([NH3+])CCN(C)CC[NH2+]C(C)(C)C ZINC000414665420 200756972 /nfs/dbraw/zinc/75/69/72/200756972.db2.gz VLMXAOBJVMSDTH-LBPRGKRZSA-N 2 0 229.412 1.680 20 0 BDADRP C[NH2+][C@@H]1CCCN(C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414665595 200757358 /nfs/dbraw/zinc/75/73/58/200757358.db2.gz FCGIJGCIIJJKFN-JHJVBQTASA-N 2 0 225.380 1.058 20 0 BDADRP Cc1ccc(O)c(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000414800094 200765651 /nfs/dbraw/zinc/76/56/51/200765651.db2.gz KPNXGDOVNWGSBF-VXGBXAGGSA-N 2 0 249.358 1.703 20 0 BDADRP CC[C@H](COC)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414838245 200769161 /nfs/dbraw/zinc/76/91/61/200769161.db2.gz VFQMEWDMFZAYLL-GHMZBOCLSA-N 2 0 200.326 1.001 20 0 BDADRP C[C@@]1(C[NH2+]C[C@@H]2CCCOC2)CCC[NH2+]C1 ZINC000414902896 200779157 /nfs/dbraw/zinc/77/91/57/200779157.db2.gz HVJDSVNONMEFHV-QWHCGFSZSA-N 2 0 226.364 1.392 20 0 BDADRP CC(C)([NH3+])CNC[C@H]1[NH2+]CCCC1(C)C ZINC000414938022 200784096 /nfs/dbraw/zinc/78/40/96/200784096.db2.gz XZWGDFSRSIPMDL-SNVBAGLBSA-N 2 0 213.369 1.092 20 0 BDADRP CCc1cc(OC)ccc1C[NH2+]C[C@@H](C)C[NH3+] ZINC000414882318 200773999 /nfs/dbraw/zinc/77/39/99/200773999.db2.gz UATNSJAGNBFWBI-NSHDSACASA-N 2 0 236.359 1.942 20 0 BDADRP C[C@H]([NH2+]CC1(O)CCC1)C1CC[NH+](C)CC1 ZINC000133439941 491153588 /nfs/dbraw/zinc/15/35/88/491153588.db2.gz GFINJZVNMXZXQG-NSHDSACASA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H]1C[NH+](C[C@@H]2CC[NH2+]C2)C[C@@H](C)S1 ZINC000069908613 361014232 /nfs/dbraw/zinc/01/42/32/361014232.db2.gz SSCOMXVEGUVBQE-GMTAPVOTSA-N 2 0 214.378 1.422 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CC2([NH3+])CCOCC2)C[C@@H]1C ZINC000629386954 361038745 /nfs/dbraw/zinc/03/87/45/361038745.db2.gz ARPFVHHWSITFHP-AGIUHOORSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CC2([NH3+])CCOCC2)C[C@H]1C ZINC000629386960 361038797 /nfs/dbraw/zinc/03/87/97/361038797.db2.gz ARPFVHHWSITFHP-JHJVBQTASA-N 2 0 240.391 1.909 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H](C)Cc1cccs1 ZINC000629391761 361045745 /nfs/dbraw/zinc/04/57/45/361045745.db2.gz CYCACTNSVRUEQK-NSHDSACASA-N 2 0 242.388 1.505 20 0 BDADRP CC[C@@H]1CCC[C@H]([NH2+]CCOCC[NH2+]C)C1 ZINC000629404463 361049936 /nfs/dbraw/zinc/04/99/36/361049936.db2.gz NUIREOJJBIMSLK-OLZOCXBDSA-N 2 0 228.380 1.781 20 0 BDADRP C[C@@H](CCC(F)(F)F)[NH2+]CCOCCC[NH3+] ZINC000629399926 361051047 /nfs/dbraw/zinc/05/10/47/361051047.db2.gz MHXLGSNFVGUDTC-VIFPVBQESA-N 2 0 242.285 1.672 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H](C)CC1CCCC1 ZINC000629406844 361054161 /nfs/dbraw/zinc/05/41/61/361054161.db2.gz ZGMABKORLGIKSH-GFCCVEGCSA-N 2 0 228.380 1.781 20 0 BDADRP C[NH+](C)CCc1ccc(NC(=O)[C@@H]2C[C@@H]2[NH3+])cc1 ZINC000424151339 200868948 /nfs/dbraw/zinc/86/89/48/200868948.db2.gz HICPHTLLVRGSHA-OLZOCXBDSA-N 2 0 247.342 1.076 20 0 BDADRP Nc1ncccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000629519931 361120687 /nfs/dbraw/zinc/12/06/87/361120687.db2.gz SITUCHVSGSTIJY-CYZMBNFOSA-N 2 0 246.358 1.223 20 0 BDADRP CCCC[C@@H](COC)[NH2+]CC1([NH3+])CCOCC1 ZINC000629521395 361117946 /nfs/dbraw/zinc/11/79/46/361117946.db2.gz OUFPUFUNRWHPNU-LBPRGKRZSA-N 2 0 244.379 1.289 20 0 BDADRP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629518662 361118478 /nfs/dbraw/zinc/11/84/78/361118478.db2.gz AOAJPGMKHNBFGF-VXGBXAGGSA-N 2 0 240.391 1.909 20 0 BDADRP CCO[C@@H](C[N@@H+]1CC[C@H](C[NH3+])C1)C1CC1 ZINC000629511915 361106032 /nfs/dbraw/zinc/10/60/32/361106032.db2.gz NJZRRDMHNVEJAS-PWSUYJOCSA-N 2 0 212.337 1.082 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]CC2([NH3+])CCOCC2)C1 ZINC000629520387 361114847 /nfs/dbraw/zinc/11/48/47/361114847.db2.gz KXMWFUUZMULJMJ-NWDGAFQWSA-N 2 0 242.363 1.042 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]CCOCC[NH2+]C)C1(C)C ZINC000629529906 361141751 /nfs/dbraw/zinc/14/17/51/361141751.db2.gz QEZZHPFZLDFBFC-VXGBXAGGSA-N 2 0 244.379 1.016 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000629530356 361144450 /nfs/dbraw/zinc/14/44/50/361144450.db2.gz DJLBMZICYFHXBL-CQSZACIVSA-N 2 0 240.391 1.781 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H]1CCCc2occc21 ZINC000629530431 361144539 /nfs/dbraw/zinc/14/45/39/361144539.db2.gz GWGTVBUXJDMUDH-LBPRGKRZSA-N 2 0 238.331 1.483 20 0 BDADRP CC[C@@H]([NH2+]CC1([NH3+])CCOCC1)C1CC1 ZINC000629522385 361123227 /nfs/dbraw/zinc/12/32/27/361123227.db2.gz YVDJLVTVDKPTMT-LLVKDONJSA-N 2 0 212.337 1.273 20 0 BDADRP CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1CC)[C@@H]1CCOC1 ZINC000629526217 361127884 /nfs/dbraw/zinc/12/78/84/361127884.db2.gz NOIOIADRZVUWIX-FVCCEPFGSA-N 2 0 226.364 1.532 20 0 BDADRP Cc1cc[nH+]c(NCC[C@H]2CCC[NH2+]2)c1 ZINC000159274563 361228764 /nfs/dbraw/zinc/22/87/64/361228764.db2.gz TXOJITMCGJYZRK-LLVKDONJSA-N 2 0 205.305 1.944 20 0 BDADRP C[N@H+](CCO)CCCC[NH+]1CCCCC1 ZINC000640532950 361302260 /nfs/dbraw/zinc/30/22/60/361302260.db2.gz LPZVHTDLWITQEM-UHFFFAOYSA-N 2 0 214.353 1.177 20 0 BDADRP C[C@H]([NH3+])CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000622044814 370677348 /nfs/dbraw/zinc/67/73/48/370677348.db2.gz TYVGRBKPIHNVIT-RVMXOQNASA-N 2 0 225.380 1.234 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC2=CCCOC2)C1 ZINC000379738568 361380974 /nfs/dbraw/zinc/38/09/74/361380974.db2.gz WILARBMIIIEFTC-VXGBXAGGSA-N 2 0 210.321 1.193 20 0 BDADRP Cc1cc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)n(C)n1 ZINC000579252023 366748701 /nfs/dbraw/zinc/74/87/01/366748701.db2.gz QTAKTJQWKVRHBI-QWRGUYRKSA-N 2 0 222.336 1.088 20 0 BDADRP Cc1nn(C)cc1CN(C)CCC[NH+](C)C ZINC000579286458 366754300 /nfs/dbraw/zinc/75/43/00/366754300.db2.gz IYAIOEUTDKCGHS-UHFFFAOYSA-N 2 0 224.352 1.112 20 0 BDADRP CC(C)[NH2+]CCCN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000579342122 366761925 /nfs/dbraw/zinc/76/19/25/366761925.db2.gz MXUIDKRMDRBMEN-OLZOCXBDSA-N 2 0 227.396 1.495 20 0 BDADRP CCOCCC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429540023 201112157 /nfs/dbraw/zinc/11/21/57/201112157.db2.gz SAGHQGPTVNUJLY-CYBMUJFWSA-N 2 0 228.380 1.829 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[C@@H](C)NC1 ZINC000629535901 361397982 /nfs/dbraw/zinc/39/79/82/361397982.db2.gz DHZNECDGRHYESE-IJLUTSLNSA-N 2 0 213.369 1.234 20 0 BDADRP C[C@@H]1CC[C@H](N[C@@H]2CCCCC[C@H]2[NH3+])C[NH2+]1 ZINC000629536215 361398944 /nfs/dbraw/zinc/39/89/44/361398944.db2.gz FBCQAOCFAPZSDC-YVECIDJPSA-N 2 0 225.380 1.377 20 0 BDADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1cncs1 ZINC000629537870 361402405 /nfs/dbraw/zinc/40/24/05/361402405.db2.gz LCGCYGACRFJBLQ-SECBINFHSA-N 2 0 229.349 1.159 20 0 BDADRP C[C@H]([NH2+]CCOCCC[NH3+])C1CCSCC1 ZINC000629534644 361407174 /nfs/dbraw/zinc/40/71/74/361407174.db2.gz AHFVKCOLDXBOKX-NSHDSACASA-N 2 0 246.420 1.473 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000629545168 361425668 /nfs/dbraw/zinc/42/56/68/361425668.db2.gz CIFVHOQQARBKSH-WISYIIOYSA-N 2 0 210.321 1.023 20 0 BDADRP C[NH2+]CCC[NH+]1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000629545890 361427093 /nfs/dbraw/zinc/42/70/93/361427093.db2.gz AMWQSKGITBRJGG-UWVGGRQHSA-N 2 0 220.307 1.819 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000629547734 361432082 /nfs/dbraw/zinc/43/20/82/361432082.db2.gz ULJDVTRWLXBGCZ-VKKKGTNTSA-N 2 0 231.343 1.471 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CO[C@H](C3CC3)C2)C1 ZINC000629548648 361434455 /nfs/dbraw/zinc/43/44/55/361434455.db2.gz OLFZUHWARZYFAK-VOAKCMCISA-N 2 0 224.348 1.413 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])C1 ZINC000629554620 361438102 /nfs/dbraw/zinc/43/81/02/361438102.db2.gz KVQOJACLCLJAAU-ZRUFSTJUSA-N 2 0 200.326 1.127 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000629554653 361443781 /nfs/dbraw/zinc/44/37/81/361443781.db2.gz LZSPITGQYVVZMS-JSTMSRMQSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CC[NH2+]C1 ZINC000629555603 361447509 /nfs/dbraw/zinc/44/75/09/361447509.db2.gz YSQLWJCGNZOSCU-YNEHKIRRSA-N 2 0 225.380 1.249 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+]CCOCCC[NH3+])C1(C)C ZINC000629542513 361419082 /nfs/dbraw/zinc/41/90/82/361419082.db2.gz ZQBHZVNURAJEFY-RYUDHWBXSA-N 2 0 244.379 1.145 20 0 BDADRP CC[C@H](CC(F)F)C[N@H+](C)CCOCC[NH3+] ZINC000629581235 361471146 /nfs/dbraw/zinc/47/11/46/361471146.db2.gz SIQYRNDDBDBOQZ-SNVBAGLBSA-N 2 0 238.322 1.575 20 0 BDADRP O[C@H](C[NH2+]CCC1(F)CCC1)C[NH+]1CCCC1 ZINC000629581376 361471233 /nfs/dbraw/zinc/47/12/33/361471233.db2.gz YQBHGHQBLINTCC-GFCCVEGCSA-N 2 0 244.354 1.315 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](CCOCC2CC2)CC1 ZINC000430947387 201159746 /nfs/dbraw/zinc/15/97/46/201159746.db2.gz DOMCGMSTVNRRSJ-LLVKDONJSA-N 2 0 226.364 1.472 20 0 BDADRP COCC[C@@H](C)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585219 361474494 /nfs/dbraw/zinc/47/44/94/361474494.db2.gz NODJVGCPFNRYPL-UPJWGTAASA-N 2 0 226.364 1.343 20 0 BDADRP COCCCC[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585172 361474501 /nfs/dbraw/zinc/47/45/01/361474501.db2.gz MCEUFXBOGRXTLQ-BETUJISGSA-N 2 0 226.364 1.344 20 0 BDADRP Cc1ccc(CN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)nc1 ZINC000629595235 361482375 /nfs/dbraw/zinc/48/23/75/361482375.db2.gz OIMLYBXNZGCNID-GASCZTMLSA-N 2 0 245.370 1.821 20 0 BDADRP CC[C@H](C(=O)N(C)CC[C@H]([NH3+])C(C)C)[NH+](C)C ZINC000629611887 361502234 /nfs/dbraw/zinc/50/22/34/361502234.db2.gz JHJQMBCUOLTVKZ-NWDGAFQWSA-N 2 0 243.395 1.158 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccn(C)c2)C[C@@]1(C)C[NH3+] ZINC000629648564 361540674 /nfs/dbraw/zinc/54/06/74/361540674.db2.gz QZNAETJZQGNBAY-DGCLKSJQSA-N 2 0 221.348 1.442 20 0 BDADRP C[C@@H]([N@H+](C)CC[C@H]1CCC[NH+]1C)C(C)(C)O ZINC000448546768 201201799 /nfs/dbraw/zinc/20/17/99/201201799.db2.gz MFMPEHSLLNKQFI-VXGBXAGGSA-N 2 0 228.380 1.562 20 0 BDADRP Cc1cnccc1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000629648635 361542250 /nfs/dbraw/zinc/54/22/50/361542250.db2.gz XXMVFMDJSASMMA-GXTWGEPZSA-N 2 0 233.359 1.868 20 0 BDADRP Cc1cnccc1C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000629649337 361545166 /nfs/dbraw/zinc/54/51/66/361545166.db2.gz PXNILZIWATYPNS-WCQYABFASA-N 2 0 219.332 1.607 20 0 BDADRP Cn1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000629649662 361546955 /nfs/dbraw/zinc/54/69/55/361546955.db2.gz YUGHTAHTZVGCDB-VXGBXAGGSA-N 2 0 207.321 1.385 20 0 BDADRP C[C@H]1CCC[N@H+](Cc2ccn(C)c2)[C@H]1CC[NH3+] ZINC000629650702 361547782 /nfs/dbraw/zinc/54/77/82/361547782.db2.gz ZTAASMMBWUNKBA-JSGCOSHPSA-N 2 0 235.375 1.974 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](CC2=CCCOC2)CC1 ZINC000629652053 361549673 /nfs/dbraw/zinc/54/96/73/361549673.db2.gz UOSTXPYRWMJOGR-NSHDSACASA-N 2 0 224.348 1.392 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)C[C@@H]1CCC[C@H](C)C1 ZINC000629652671 361551429 /nfs/dbraw/zinc/55/14/29/361551429.db2.gz BWNQORUICKRRMX-UONOGXRCSA-N 2 0 242.407 1.981 20 0 BDADRP CCC[C@@H](C)C[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000629653638 361552661 /nfs/dbraw/zinc/55/26/61/361552661.db2.gz RZEBPTHPITUCKN-SECBINFHSA-N 2 0 238.335 1.167 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccn(C)c2)CC[C@@H]1[NH3+] ZINC000629651790 361557235 /nfs/dbraw/zinc/55/72/35/361557235.db2.gz JQASNMREZQSPGR-JQWIXIFHSA-N 2 0 207.321 1.194 20 0 BDADRP [NH3+]CCCOCC[NH2+]CCC1CCCCC1 ZINC000629681644 361602822 /nfs/dbraw/zinc/60/28/22/361602822.db2.gz SHCXUUQQCTWJNV-UHFFFAOYSA-N 2 0 228.380 1.912 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCSC1 ZINC000629671563 361590536 /nfs/dbraw/zinc/59/05/36/361590536.db2.gz AEBWOSGWSPOTNQ-LPEHRKFASA-N 2 0 200.351 1.080 20 0 BDADRP CCC1([NH2+][C@@H](CCC[NH3+])COC)CC1 ZINC000448552505 201243820 /nfs/dbraw/zinc/24/38/20/201243820.db2.gz BFUPNZBFGCHYHM-JTQLQIEISA-N 2 0 200.326 1.273 20 0 BDADRP [NH3+]C1CCC([NH2+]CCOCC2CC2)CC1 ZINC000236202640 181341455 /nfs/dbraw/zinc/34/14/55/181341455.db2.gz HRSFOUHOKFCWIZ-UHFFFAOYSA-N 2 0 212.337 1.273 20 0 BDADRP [NH3+]CCCc1cccc(C2=CC[NH2+]CC2)c1 ZINC000629722602 361662406 /nfs/dbraw/zinc/66/24/06/361662406.db2.gz CYEDOAJZUWVSCY-UHFFFAOYSA-N 2 0 216.328 1.955 20 0 BDADRP C[NH2+]CCCN(CCC[NH3+])Cc1ccccc1 ZINC000435874365 201292728 /nfs/dbraw/zinc/29/27/28/201292728.db2.gz JRQKKCUDHRLFBH-UHFFFAOYSA-N 2 0 235.375 1.447 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCCC2(CCOCC2)C1 ZINC000435874148 201292955 /nfs/dbraw/zinc/29/29/55/201292955.db2.gz ZHQBUXRTRYMHTF-UHFFFAOYSA-N 2 0 226.364 1.489 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000435881998 201295614 /nfs/dbraw/zinc/29/56/14/201295614.db2.gz RJMGFOIXLBHMLX-CYBMUJFWSA-N 2 0 236.363 1.265 20 0 BDADRP CCOC(C)(C)C[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000437095045 201344741 /nfs/dbraw/zinc/34/47/41/201344741.db2.gz JKDAPOXMBWINIA-AAEUAGOBSA-N 2 0 240.391 1.874 20 0 BDADRP C[N@H+](CC[C@@H]1CCOC1)C[C@H]1CCC[NH+](C)C1 ZINC000437589854 201359346 /nfs/dbraw/zinc/35/93/46/201359346.db2.gz LBNRVCKJASMIDI-KGLIPLIRSA-N 2 0 240.391 1.687 20 0 BDADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCC[NH3+])C[C@@H]1C ZINC000437805161 201375657 /nfs/dbraw/zinc/37/56/57/201375657.db2.gz WPMVPJFGQRFIOX-SDDRHHMPSA-N 2 0 242.363 1.293 20 0 BDADRP CC1(C)OCC[C@@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000328272497 363871394 /nfs/dbraw/zinc/87/13/94/363871394.db2.gz WLXPMKLTCJQHPM-LBPRGKRZSA-N 2 0 226.364 1.629 20 0 BDADRP CC[C@H]([NH3+])c1cn(-c2cccc(C[NH3+])c2)nn1 ZINC000630608085 364334268 /nfs/dbraw/zinc/33/42/68/364334268.db2.gz VDIAWVLOHZAWQB-NSHDSACASA-N 2 0 231.303 1.136 20 0 BDADRP [NH3+]CC1(O)CC[NH+](Cc2ccccc2F)CC1 ZINC000071548802 181361878 /nfs/dbraw/zinc/36/18/78/181361878.db2.gz YHGGPFVUYQQBAJ-UHFFFAOYSA-N 2 0 238.306 1.111 20 0 BDADRP [NH3+]Cc1nccn1Cc1cccc2c1CC[NH2+]C2 ZINC000630583341 364284667 /nfs/dbraw/zinc/28/46/67/364284667.db2.gz FCSNUJBRLFDIRI-UHFFFAOYSA-N 2 0 242.326 1.036 20 0 BDADRP Cc1cc(C)c(Cn2ccnc2C[NH3+])c(C)[nH+]1 ZINC000630583484 364285602 /nfs/dbraw/zinc/28/56/02/364285602.db2.gz FONGGFHXQOHKDG-UHFFFAOYSA-N 2 0 230.315 1.710 20 0 BDADRP Cc1ccccc1C[C@@H](C)[NH2+]CCC[NH3+] ZINC000135294118 364433192 /nfs/dbraw/zinc/43/31/92/364433192.db2.gz LNXDNADZWBTADD-GFCCVEGCSA-N 2 0 206.333 1.864 20 0 BDADRP CC[C@]1(C)CN(CC[C@@H]2CCC[N@@H+]2C)CCO1 ZINC000135677789 364447402 /nfs/dbraw/zinc/44/74/02/364447402.db2.gz XWOJHTKBJPHDDU-UONOGXRCSA-N 2 0 240.391 1.972 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2cccc3c[nH]nc32)CC1 ZINC000336623709 181364821 /nfs/dbraw/zinc/36/48/21/181364821.db2.gz GNXANCOKCPJHDS-UHFFFAOYSA-N 2 0 244.342 1.734 20 0 BDADRP [NH3+]CC1CC[NH+]([C@@H]2CCCSC2)CC1 ZINC000061590676 181365492 /nfs/dbraw/zinc/36/54/92/181365492.db2.gz LSGLLXCFBIGLGO-LLVKDONJSA-N 2 0 214.378 1.553 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCCC[C@@H]2O)C1 ZINC000573641231 364881102 /nfs/dbraw/zinc/88/11/02/364881102.db2.gz HPAJNSDRJLUCST-IHRRRGAJSA-N 2 0 240.391 1.421 20 0 BDADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCS[C@@H](C(C)C)C1 ZINC000573570875 364864568 /nfs/dbraw/zinc/86/45/68/364864568.db2.gz NGGRZGOCPKHKIK-VXGBXAGGSA-N 2 0 246.420 1.030 20 0 BDADRP CC1(C[NH2+]CCC[NH+]2CCC(O)CC2)CCC1 ZINC000434760227 541390258 /nfs/dbraw/zinc/39/02/58/541390258.db2.gz YTGVHLJJUYYRPB-UHFFFAOYSA-N 2 0 240.391 1.613 20 0 BDADRP [NH3+]CCCC[NH2+]Cc1c(F)cccc1F ZINC000037714650 181377871 /nfs/dbraw/zinc/37/78/71/181377871.db2.gz GHWPBNJYUUUKGU-UHFFFAOYSA-N 2 0 214.259 1.793 20 0 BDADRP [NH3+]CCCC[NH+]1CCN(c2nccs2)CC1 ZINC000020072579 181376406 /nfs/dbraw/zinc/37/64/06/181376406.db2.gz HRISPDBEYJDBBY-UHFFFAOYSA-N 2 0 240.376 1.004 20 0 BDADRP Cc1cnc(CC[NH2+][C@H]2CCCCC[C@H]2[NH3+])nc1 ZINC000574031724 364970262 /nfs/dbraw/zinc/97/02/62/364970262.db2.gz RJPMXKQRUAPCER-OLZOCXBDSA-N 2 0 248.374 1.577 20 0 BDADRP [NH3+]CCCN(CCC[NH3+])Cc1ccccc1 ZINC000021994032 181379509 /nfs/dbraw/zinc/37/95/09/181379509.db2.gz HUWUUMUEMQWJKZ-UHFFFAOYSA-N 2 0 221.348 1.186 20 0 BDADRP [NH3+]CCCN1CCOc2ccccc2C1 ZINC000063012418 181380871 /nfs/dbraw/zinc/38/08/71/181380871.db2.gz IOBPFAJXJFIVNK-UHFFFAOYSA-N 2 0 206.289 1.230 20 0 BDADRP [NH3+]CCC[N@@H+]1CCCc2ccccc2C1 ZINC000062944365 181381105 /nfs/dbraw/zinc/38/11/05/181381105.db2.gz OIURFNARCZHYEU-UHFFFAOYSA-N 2 0 204.317 1.784 20 0 BDADRP CNCc1noc(-c2ccc3c(c2)C[NH2+]C3)n1 ZINC000574321621 365036086 /nfs/dbraw/zinc/03/60/86/365036086.db2.gz KHLDQNNEUGRVRR-UHFFFAOYSA-N 2 0 230.271 1.059 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000357071464 181398886 /nfs/dbraw/zinc/39/88/86/181398886.db2.gz CCBXLKNNZAGZFA-AWEZNQCLSA-N 2 0 249.358 1.148 20 0 BDADRP CCC[NH+](CCC)CCCNC(=O)C[NH+](C)C ZINC000171108423 365168192 /nfs/dbraw/zinc/16/81/92/365168192.db2.gz PGKJDQNXNHGXQM-UHFFFAOYSA-N 2 0 243.395 1.176 20 0 BDADRP [NH3+][C@H]1C[C@@H](NCC[C@H]2CCC[NH2+]2)c2ccccc21 ZINC000575051821 365179727 /nfs/dbraw/zinc/17/97/27/365179727.db2.gz KYXRQTGYZNZNTN-BYCMXARLSA-N 2 0 245.370 1.863 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C1CCSCC1 ZINC000220681791 181427924 /nfs/dbraw/zinc/42/79/24/181427924.db2.gz LKFFZVZPRBUNGK-JQWIXIFHSA-N 2 0 228.405 1.989 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](CO)C1CCCCC1 ZINC000579580780 366886905 /nfs/dbraw/zinc/88/69/05/366886905.db2.gz IDZNNYSHGURHLP-LOWVWBTDSA-N 2 0 228.380 1.643 20 0 BDADRP Cc1nn(C)c(C)c1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000580834546 367179197 /nfs/dbraw/zinc/17/91/97/367179197.db2.gz TWBQOAZOFNOVIU-IUCAKERBSA-N 2 0 224.352 1.252 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@@H](C)[C@H]2C)CC[NH2+]1 ZINC000380565353 367244420 /nfs/dbraw/zinc/24/44/20/367244420.db2.gz OJDMCLRZBCSMGE-FVCCEPFGSA-N 2 0 226.364 1.484 20 0 BDADRP Cc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cn1 ZINC000581185353 367287201 /nfs/dbraw/zinc/28/72/01/367287201.db2.gz XCKJZDMSOQYMGU-ZIAGYGMSSA-N 2 0 233.359 1.650 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2)[C@@H](C)O1 ZINC000581251770 367309149 /nfs/dbraw/zinc/30/91/49/367309149.db2.gz LSRJLDHHLFJMKH-JTNHKYCSSA-N 2 0 234.343 1.801 20 0 BDADRP CC[C@H](C)C[N@H+](CC)C[C@H](O)CN(C)CC ZINC000380970780 367326517 /nfs/dbraw/zinc/32/65/17/367326517.db2.gz ALJTXPYELCAPPA-QWHCGFSZSA-N 2 0 230.396 1.667 20 0 BDADRP C[C@@H](C[NH3+])N(C)CCOc1ccccc1F ZINC000382967040 367574879 /nfs/dbraw/zinc/57/48/79/367574879.db2.gz CQODQQYXGGCBKB-JTQLQIEISA-N 2 0 226.295 1.484 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@@H]3CCCC[C@@H]3O)C[C@H]12 ZINC000383264902 367609657 /nfs/dbraw/zinc/60/96/57/367609657.db2.gz GLSZTQZNFPHBPQ-HTOAHKCRSA-N 2 0 238.375 1.207 20 0 BDADRP C[C@@H](c1ccncc1)[N@H+](C)CCOCC[NH3+] ZINC000383881613 367657376 /nfs/dbraw/zinc/65/73/76/367657376.db2.gz WIYPVMUQKHPUOK-NSHDSACASA-N 2 0 223.320 1.050 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@H]1CCCSC1 ZINC000384112822 367672394 /nfs/dbraw/zinc/67/23/94/367672394.db2.gz HUGZLWFXDNIPHO-GHMZBOCLSA-N 2 0 216.394 1.847 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000384339923 367685665 /nfs/dbraw/zinc/68/56/65/367685665.db2.gz CAZVMJOMYMUHJB-AGIUHOORSA-N 2 0 228.380 1.502 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)[C@@H](C)O1 ZINC000384527849 367697592 /nfs/dbraw/zinc/69/75/92/367697592.db2.gz CDNIQSNFKVJMFE-LPWJVIDDSA-N 2 0 226.364 1.484 20 0 BDADRP CC(C)COCC[N@H+](C)C1CC([NH3+])C1 ZINC000384721489 367721030 /nfs/dbraw/zinc/72/10/30/367721030.db2.gz HFYQJNNDUVRIQQ-UHFFFAOYSA-N 2 0 200.326 1.081 20 0 BDADRP C[C@H](CC(C)(C)O)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000384877071 367748701 /nfs/dbraw/zinc/74/87/01/367748701.db2.gz PUOQRUZWLOASBQ-VWYCJHECSA-N 2 0 214.353 1.395 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@H]1C[C@@H](C)O[C@@H]1C ZINC000384925808 367758698 /nfs/dbraw/zinc/75/86/98/367758698.db2.gz PRTFOQPPMZWRKC-UPJWGTAASA-N 2 0 228.380 1.872 20 0 BDADRP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000384949152 367762523 /nfs/dbraw/zinc/76/25/23/367762523.db2.gz FYFISAPBJZFJRM-IJLUTSLNSA-N 2 0 228.380 1.643 20 0 BDADRP CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000581720386 367782286 /nfs/dbraw/zinc/78/22/86/367782286.db2.gz PYGDJBGEBGJAPM-WISYIIOYSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@H](CC(C)(C)C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000385157366 367802509 /nfs/dbraw/zinc/80/25/09/367802509.db2.gz NPOMKKBLYSBKAK-CHWSQXEVSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@H](CC(C)(C)C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000385157368 367802722 /nfs/dbraw/zinc/80/27/22/367802722.db2.gz NPOMKKBLYSBKAK-OLZOCXBDSA-N 2 0 242.407 1.857 20 0 BDADRP C[N@H+](CCNC1CC[NH2+]CC1)Cc1ccccc1 ZINC000386921957 368035220 /nfs/dbraw/zinc/03/52/20/368035220.db2.gz RPBJBYNTWWQWBZ-UHFFFAOYSA-N 2 0 247.386 1.460 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](C[C@H]2CC[C@@H](C)O2)C1 ZINC000252775083 368062201 /nfs/dbraw/zinc/06/22/01/368062201.db2.gz JYTSSSUCOZXTHI-DDHJBXDOSA-N 2 0 212.337 1.223 20 0 BDADRP CC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)[C@@H](C)O ZINC000386760880 368019518 /nfs/dbraw/zinc/01/95/18/368019518.db2.gz IIJYJGIUSDBLTN-YPMHNXCESA-N 2 0 228.380 1.608 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CCN(C)Cc1ccccc1 ZINC000386877875 368030071 /nfs/dbraw/zinc/03/00/71/368030071.db2.gz LSQHNSNIZBWUOA-CQSZACIVSA-N 2 0 249.402 1.835 20 0 BDADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cc[nH]n1 ZINC000387214210 368110657 /nfs/dbraw/zinc/11/06/57/368110657.db2.gz QXSCXFWGYGUXKC-UHFFFAOYSA-N 2 0 224.352 1.620 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@H]12)[C@H]1CCC[NH2+]C1 ZINC000581997172 368098738 /nfs/dbraw/zinc/09/87/38/368098738.db2.gz FNXQXMHGRHYGOA-QNSTZXKLSA-N 2 0 238.375 1.532 20 0 BDADRP CCN(C)C[C@@H](O)C[N@H+](C)C[C@@H](C)C(C)(C)C ZINC000399537138 368175590 /nfs/dbraw/zinc/17/55/90/368175590.db2.gz XCYXGIUMRDSOJM-CHWSQXEVSA-N 2 0 244.423 1.913 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCOC2CCCC2)C1 ZINC000086404264 368881477 /nfs/dbraw/zinc/88/14/77/368881477.db2.gz BZYOZARDSSUSDY-NWDGAFQWSA-N 2 0 226.364 1.805 20 0 BDADRP C[C@@H]1OCC[C@H]1[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623657184 368998234 /nfs/dbraw/zinc/99/82/34/368998234.db2.gz KYKMQIYUBKZVCE-YNEHKIRRSA-N 2 0 226.364 1.485 20 0 BDADRP Cn1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000623657098 368998247 /nfs/dbraw/zinc/99/82/47/368998247.db2.gz JTKXDWJMUNYIJL-ZDUSSCGKSA-N 2 0 235.375 1.847 20 0 BDADRP Cc1nccnc1C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000631829102 369004029 /nfs/dbraw/zinc/00/40/29/369004029.db2.gz GYEYMLVSUORCFS-SMDDNHRTSA-N 2 0 248.374 1.734 20 0 BDADRP C[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000567646069 326238060 /nfs/dbraw/zinc/23/80/60/326238060.db2.gz SAYXFQZCFAKYDU-NZEXEKPDSA-N 2 0 226.364 1.673 20 0 BDADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCOC2)C1 ZINC000459729273 203345643 /nfs/dbraw/zinc/34/56/43/203345643.db2.gz IWQPXXKRRPNWGL-NWDGAFQWSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459734136 203347776 /nfs/dbraw/zinc/34/77/76/203347776.db2.gz OEQKSSDJLCEKOY-XQQFMLRXSA-N 2 0 226.364 1.485 20 0 BDADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@H]2CCCOC2)C1 ZINC000459744738 203351396 /nfs/dbraw/zinc/35/13/96/203351396.db2.gz XTLUFZMAESMYOS-UONOGXRCSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@@H]1C[C@H]1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459791002 203369166 /nfs/dbraw/zinc/36/91/66/203369166.db2.gz RLCMJZKPQSGMOW-AGIUHOORSA-N 2 0 210.365 1.964 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC000567894633 326278514 /nfs/dbraw/zinc/27/85/14/326278514.db2.gz KMWLZFZSFXMMIU-UTUOFQBUSA-N 2 0 232.343 1.611 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](Cc2cccc(N)c2)C1 ZINC000567899544 326279668 /nfs/dbraw/zinc/27/96/68/326279668.db2.gz DKPGMMGVHRYUTC-GFCCVEGCSA-N 2 0 219.332 1.310 20 0 BDADRP CSCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250959321 369624297 /nfs/dbraw/zinc/62/42/97/369624297.db2.gz UDCNLRBJXQEVKE-MNOVXSKESA-N 2 0 214.378 1.566 20 0 BDADRP C[C@H](c1cccnc1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252699922 370116874 /nfs/dbraw/zinc/11/68/74/370116874.db2.gz WYJDESBQTYMWOO-IJLUTSLNSA-N 2 0 219.332 1.812 20 0 BDADRP CSCC[C@H](C)[N@H+](C)C[C@H]1CNCCO1 ZINC000253080255 370147101 /nfs/dbraw/zinc/14/71/01/370147101.db2.gz VHVWSPREWZSXEJ-WDEREUQCSA-N 2 0 232.393 1.048 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@H]2CCC[NH+]2C)C[C@@H]1CO ZINC000621372527 370309529 /nfs/dbraw/zinc/30/95/29/370309529.db2.gz XBEQLIWEWXGXTF-MGPQQGTHSA-N 2 0 240.391 1.421 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CC[C@H](C)[C@H](CO)C1 ZINC000621372116 370309922 /nfs/dbraw/zinc/30/99/22/370309922.db2.gz PMPRXSGNPJCRQE-KBPBESRZSA-N 2 0 242.407 1.669 20 0 BDADRP CC[C@H](C)[N@H+](C)CCNC(=O)C[NH+](CC)CC ZINC000066124917 370552109 /nfs/dbraw/zinc/55/21/09/370552109.db2.gz QRJMJQBIEBTNHT-LBPRGKRZSA-N 2 0 243.395 1.175 20 0 BDADRP CCn1cc(CC[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cn1 ZINC000621775570 370523472 /nfs/dbraw/zinc/52/34/72/370523472.db2.gz SAPPDESVNQCIMK-DGCLKSJQSA-N 2 0 236.363 1.115 20 0 BDADRP CCn1cc(CCN2CC[C@@H]3CC[NH2+][C@@H]3C2)cn1 ZINC000621776824 370525392 /nfs/dbraw/zinc/52/53/92/370525392.db2.gz XJGACAYWXWRQMG-UONOGXRCSA-N 2 0 248.374 1.129 20 0 BDADRP CCn1cc(CCN2CC[C@@H]3CC[NH2+][C@H]3C2)cn1 ZINC000621776822 370526398 /nfs/dbraw/zinc/52/63/98/370526398.db2.gz XJGACAYWXWRQMG-KBPBESRZSA-N 2 0 248.374 1.129 20 0 BDADRP COCCCCC[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621783170 370532432 /nfs/dbraw/zinc/53/24/32/370532432.db2.gz YBOIERITGPXYNS-QWHCGFSZSA-N 2 0 226.364 1.616 20 0 BDADRP C[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000568629422 326368814 /nfs/dbraw/zinc/36/88/14/326368814.db2.gz FSHSYJMPSKBUKS-IJLUTSLNSA-N 2 0 241.379 1.138 20 0 BDADRP C(CN1CCC[C@@H]2C[NH2+]CC[C@H]21)[C@@H]1CC[NH2+]C1 ZINC000631890332 371004472 /nfs/dbraw/zinc/00/44/72/371004472.db2.gz OVQZZJZXNOCPCV-BFHYXJOUSA-N 2 0 237.391 1.060 20 0 BDADRP C[C@@H](C[NH2+]Cc1ccc(=O)[nH]c1)C[NH+]1CCCC1 ZINC000631044984 371031265 /nfs/dbraw/zinc/03/12/65/371031265.db2.gz ZZUAWIRWPQKUSY-LBPRGKRZSA-N 2 0 249.358 1.609 20 0 BDADRP Nc1cc(CN2CCC[C@H]3C[NH2+]CC[C@@H]32)ccn1 ZINC000631891095 371131331 /nfs/dbraw/zinc/13/13/31/371131331.db2.gz VXJMHPZIIACAMA-STQMWFEESA-N 2 0 246.358 1.068 20 0 BDADRP CO[C@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)C1 ZINC000623808274 371103799 /nfs/dbraw/zinc/10/37/99/371103799.db2.gz KMTJSXRSVVWGRR-KQXIARHKSA-N 2 0 224.348 1.379 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000623824044 371108372 /nfs/dbraw/zinc/10/83/72/371108372.db2.gz VMGYQAGMNXPKJI-SYQHCUMBSA-N 2 0 238.375 1.628 20 0 BDADRP CCc1cccc(C[NH2+]CCN2CC[C@H](O)C2)c1 ZINC000623838115 371121617 /nfs/dbraw/zinc/12/16/17/371121617.db2.gz HVBXCWCQAYYJDR-HNNXBMFYSA-N 2 0 248.370 1.405 20 0 BDADRP C[C@@H](C[NH2+]CC1(C)CC1)N1CC[NH+](C)CC1 ZINC000390511538 371212249 /nfs/dbraw/zinc/21/22/49/371212249.db2.gz ZTBIYNXGZDMWMU-LBPRGKRZSA-N 2 0 225.380 1.012 20 0 BDADRP [NH3+][C@@H]1C[C@H](NC[C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000332316089 181599881 /nfs/dbraw/zinc/59/98/81/181599881.db2.gz YMACLVFONBKDDI-DFBGVHRSSA-N 2 0 245.370 1.720 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)[C@H]1CCOC1 ZINC000624120540 371321367 /nfs/dbraw/zinc/32/13/67/371321367.db2.gz BKGAUVXZRUMSKN-MJBXVCDLSA-N 2 0 240.391 1.733 20 0 BDADRP CCOC1CC([NH2+]C[C@@H]2CCCC[N@H+](C)C2)C1 ZINC000624122054 371323209 /nfs/dbraw/zinc/32/32/09/371323209.db2.gz ITQRXHGHDOQJCH-HSBZDZAISA-N 2 0 240.391 1.875 20 0 BDADRP O[C@H]1CCN(CC[NH2+][C@@H]2CC[C@@H]2C2CCC2)C1 ZINC000624337381 371487010 /nfs/dbraw/zinc/48/70/10/371487010.db2.gz JGEXREUWFVTGER-BFHYXJOUSA-N 2 0 238.375 1.221 20 0 BDADRP O[C@H]1CCN(CC[NH2+][C@H]2CC[C@@H]2C2CCC2)C1 ZINC000624337384 371487262 /nfs/dbraw/zinc/48/72/62/371487262.db2.gz JGEXREUWFVTGER-MJBXVCDLSA-N 2 0 238.375 1.221 20 0 BDADRP CO[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000624300601 371468100 /nfs/dbraw/zinc/46/81/00/371468100.db2.gz LZGQFRPPAVMFOM-DHGKCCLASA-N 2 0 238.375 1.626 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@H]2C[C@@H](OC)C2)CC1 ZINC000624308778 371471697 /nfs/dbraw/zinc/47/16/97/371471697.db2.gz XEJBMDJCKSMVAY-XBXGTLAGSA-N 2 0 240.391 1.875 20 0 BDADRP COC[C@@H](C)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000227189921 371795634 /nfs/dbraw/zinc/79/56/34/371795634.db2.gz AJZQGRAXMFGCOQ-VXGBXAGGSA-N 2 0 214.353 1.484 20 0 BDADRP CCC[N@H+](C[C@@H]1CCO[C@H]1C)C1CC[NH2+]CC1 ZINC000631822847 372600675 /nfs/dbraw/zinc/60/06/75/372600675.db2.gz QANSYYXTBHQSML-STQMWFEESA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@H]2CCO[C@H]2C)C1 ZINC000631823670 372586260 /nfs/dbraw/zinc/58/62/60/372586260.db2.gz KVZDCBNOLPCBEC-NNYUYHANSA-N 2 0 212.337 1.081 20 0 BDADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C[C@H]1CCO[C@H]1C ZINC000631825195 372591532 /nfs/dbraw/zinc/59/15/32/372591532.db2.gz BVYZAKCEXWMPNA-USZNOCQGSA-N 2 0 230.327 1.043 20 0 BDADRP FCCC1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000631837218 372626481 /nfs/dbraw/zinc/62/64/81/372626481.db2.gz PFBJJHMDKGWHMK-GFCCVEGCSA-N 2 0 214.328 1.668 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@H]1C[NH3+] ZINC000631839070 372634668 /nfs/dbraw/zinc/63/46/68/372634668.db2.gz ZKLOXPIAMNSWPL-ZYHUDNBSSA-N 2 0 222.307 1.852 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H]2CCO[C@@H]2C)CC[C@H]1[NH3+] ZINC000631824805 372603785 /nfs/dbraw/zinc/60/37/85/372603785.db2.gz QTTPCWQSEHPCJK-FVCCEPFGSA-N 2 0 226.364 1.471 20 0 BDADRP OCC[NH2+]C1CC[NH+](CCC2CCCC2)CC1 ZINC000631864240 372666476 /nfs/dbraw/zinc/66/64/76/372666476.db2.gz KVLVJMVWNSMSSR-UHFFFAOYSA-N 2 0 240.391 1.613 20 0 BDADRP CCC1([NH+](C)C)CCN(C[C@@H](C)[NH3+])CC1 ZINC000631866104 372666634 /nfs/dbraw/zinc/66/66/34/372666634.db2.gz UBGJZISRVDYVCV-LLVKDONJSA-N 2 0 213.369 1.140 20 0 BDADRP CCOCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631883900 372679355 /nfs/dbraw/zinc/67/93/55/372679355.db2.gz DAWMGYCYFGWGLD-VXGBXAGGSA-N 2 0 212.337 1.097 20 0 BDADRP c1cncc(CC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631891032 372686714 /nfs/dbraw/zinc/68/67/14/372686714.db2.gz XLUCLDJSTFASCY-CABCVRRESA-N 2 0 245.370 1.698 20 0 BDADRP Cc1ccc(NC(=O)N2C[C@H]([NH3+])C[C@H]2C)c(C)n1 ZINC000632920230 373220101 /nfs/dbraw/zinc/22/01/01/373220101.db2.gz USDLCLVDUOGQOU-MWLCHTKSSA-N 2 0 248.330 1.652 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccncc2)[C@@H](C)C1 ZINC000268988979 170012607 /nfs/dbraw/zinc/01/26/07/170012607.db2.gz FSDOJYBFMIGVKM-DZGCQCFKSA-N 2 0 247.386 1.944 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccncc2)C1 ZINC000459730603 206013132 /nfs/dbraw/zinc/01/31/32/206013132.db2.gz KTWLQWXCFWRJSY-CQSZACIVSA-N 2 0 233.359 1.903 20 0 BDADRP CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000459734497 206013238 /nfs/dbraw/zinc/01/32/38/206013238.db2.gz CMJJGXCPQQZYMX-SYQHCUMBSA-N 2 0 238.375 1.770 20 0 BDADRP Cc1cn[nH]c1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459777142 206015486 /nfs/dbraw/zinc/01/54/86/206015486.db2.gz KCNHDIMEWWGJIU-LBPRGKRZSA-N 2 0 236.363 1.540 20 0 BDADRP C[C@@H]1CC2(C[N@@H+]1Cc1cocn1)CC[NH2+]CC2 ZINC000424381455 206038134 /nfs/dbraw/zinc/03/81/34/206038134.db2.gz QVKDDJBVCGFFIP-LLVKDONJSA-N 2 0 235.331 1.639 20 0 BDADRP C[NH+]1CCC(NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000437740539 206072389 /nfs/dbraw/zinc/07/23/89/206072389.db2.gz YRCWXWCUEORYQG-AWEZNQCLSA-N 2 0 233.359 1.370 20 0 BDADRP CCC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000450449632 206102948 /nfs/dbraw/zinc/10/29/48/206102948.db2.gz FRASPVFNMOZFRF-ZIAGYGMSSA-N 2 0 242.407 1.811 20 0 BDADRP C[C@H]([NH3+])CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000178631495 134312028 /nfs/dbraw/zinc/31/20/28/134312028.db2.gz ZTJCXGSEZDFJGO-RYUDHWBXSA-N 2 0 241.379 1.104 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000037619268 169007609 /nfs/dbraw/zinc/00/76/09/169007609.db2.gz KLNHHBTWRJJVMD-RYUDHWBXSA-N 2 0 241.379 1.104 20 0 BDADRP OC[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000049474444 183122120 /nfs/dbraw/zinc/12/21/20/183122120.db2.gz WQMHQPZLICOLAY-CYBMUJFWSA-N 2 0 226.364 1.177 20 0 BDADRP Oc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000037408228 183270742 /nfs/dbraw/zinc/27/07/42/183270742.db2.gz RGRGDDLHVNYKPL-ZDUSSCGKSA-N 2 0 246.354 1.966 20 0 BDADRP CCC[N@H+](CCOCC[NH3+])C[C@@H]1CCCCO1 ZINC000357087333 169168505 /nfs/dbraw/zinc/16/85/05/169168505.db2.gz MXZGPOIUZMAOAL-ZDUSSCGKSA-N 2 0 244.379 1.243 20 0 BDADRP CCC[NH+]1CCC([NH2+]CCCCCO)CC1 ZINC000051021128 169187920 /nfs/dbraw/zinc/18/79/20/169187920.db2.gz ZDMBZLHUFHQAMI-UHFFFAOYSA-N 2 0 228.380 1.613 20 0 BDADRP CCC[NH+]1CCC(NCC[N@H+](C)C(C)C)CC1 ZINC000054110738 169188212 /nfs/dbraw/zinc/18/82/12/169188212.db2.gz CPWKGYUXXSBUFP-UHFFFAOYSA-N 2 0 241.423 1.791 20 0 BDADRP CCC[NH+]1CCC(N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000093210640 169189386 /nfs/dbraw/zinc/18/93/86/169189386.db2.gz HYNKZMJBJZAVPH-GXTWGEPZSA-N 2 0 239.407 1.720 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H]2CCOC[C@H]2C)CC1 ZINC000302023718 169189876 /nfs/dbraw/zinc/18/98/76/169189876.db2.gz FTHIIPJWAMPBBR-OCCSQVGLSA-N 2 0 240.391 1.875 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H]2CCOC[C@H]2C)CC1 ZINC000302023719 169190188 /nfs/dbraw/zinc/19/01/88/169190188.db2.gz FTHIIPJWAMPBBR-TZMCWYRMSA-N 2 0 240.391 1.875 20 0 BDADRP CCC[C@@H](C)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000310090716 169357843 /nfs/dbraw/zinc/35/78/43/169357843.db2.gz DWXRQGADYNOEMS-ZIAGYGMSSA-N 2 0 239.407 1.402 20 0 BDADRP CCC[C@@H]([NH3+])C(=O)Nc1ccccc1C[NH2+]CC ZINC000236788983 169392052 /nfs/dbraw/zinc/39/20/52/169392052.db2.gz LUIHSUPRWNSAEQ-GFCCVEGCSA-N 2 0 249.358 1.862 20 0 BDADRP COCCN(C)CC[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000222064537 134329453 /nfs/dbraw/zinc/32/94/53/134329453.db2.gz YTWHMKDFOWGRME-HZSPNIEDSA-N 2 0 242.407 1.979 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCOC2)[C@@H](C)C1 ZINC000223281448 134337866 /nfs/dbraw/zinc/33/78/66/134337866.db2.gz IQCAWIRCGCJZGF-XQQFMLRXSA-N 2 0 226.364 1.485 20 0 BDADRP CC[C@H](O)CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000224590673 134345058 /nfs/dbraw/zinc/34/50/58/134345058.db2.gz AFWZLSSTASYXDS-QNWHQSFQSA-N 2 0 228.380 1.466 20 0 BDADRP CCC[C@H]([NH3+])C(=O)N(CC[NH+](C)C)CC(C)C ZINC000037825190 169500429 /nfs/dbraw/zinc/50/04/29/169500429.db2.gz LSBZJIIBSLCBFU-LBPRGKRZSA-N 2 0 243.395 1.160 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](CCCCCOC)C1 ZINC000226420612 134365745 /nfs/dbraw/zinc/36/57/45/134365745.db2.gz JKTHFQYJNBWODE-GFCCVEGCSA-N 2 0 214.353 1.344 20 0 BDADRP C[NH+](C)Cc1cccc(NC(=O)C2([NH3+])CC2)c1 ZINC000088129937 383879813 /nfs/dbraw/zinc/87/98/13/383879813.db2.gz ZDXHHHJZDVNGLX-UHFFFAOYSA-N 2 0 233.315 1.178 20 0 BDADRP C[C@H](CN[C@H](C)c1ccccn1)C[NH+](C)C ZINC000293836821 383871393 /nfs/dbraw/zinc/87/13/93/383871393.db2.gz WTGCVUIYSPJRIH-VXGBXAGGSA-N 2 0 221.348 1.930 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CCSC1 ZINC000308643334 383872672 /nfs/dbraw/zinc/87/26/72/383872672.db2.gz FHKNBTYLAFCHPO-QWRGUYRKSA-N 2 0 216.394 1.847 20 0 BDADRP COC[C@H]([NH2+][C@H]1CCc2nc[nH]c2C1)C(C)C ZINC000368103630 383876265 /nfs/dbraw/zinc/87/62/65/383876265.db2.gz XPSASXIQFVEYLX-GWCFXTLKSA-N 2 0 237.347 1.528 20 0 BDADRP CC[C@@H]1C[N@H+](C)CCN1CCC[NH+]1CCCC1 ZINC000564880801 383935383 /nfs/dbraw/zinc/93/53/83/383935383.db2.gz FFGJPEDYPRYTGH-CQSZACIVSA-N 2 0 239.407 1.498 20 0 BDADRP C(C[C@@H]1CC[NH2+]C1)c1nc([C@H]2CCC[NH2+]2)no1 ZINC000647148178 383893536 /nfs/dbraw/zinc/89/35/36/383893536.db2.gz IOEPVZSVXAPXCV-NXEZZACHSA-N 2 0 236.319 1.036 20 0 BDADRP CO[C@@H](C[NH2+][C@@H](C)CC[NH+](C)C)C1CC1 ZINC000400242111 383979369 /nfs/dbraw/zinc/97/93/69/383979369.db2.gz GNHSMDTZHJCVSY-JQWIXIFHSA-N 2 0 214.353 1.341 20 0 BDADRP CC[NH2+][C@H](C)CNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000449502261 383953316 /nfs/dbraw/zinc/95/33/16/383953316.db2.gz QWNOIVZSMSKGPY-WOPDTQHZSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCCC[NH+](C)C)c2nccn21 ZINC000345364582 383976647 /nfs/dbraw/zinc/97/66/47/383976647.db2.gz XTBTYIRRKSQQEO-NEPJUHHUSA-N 2 0 236.363 1.820 20 0 BDADRP C[C@@H](N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000643547389 384033532 /nfs/dbraw/zinc/03/35/32/384033532.db2.gz DRJBCCQSILELPE-UPJWGTAASA-N 2 0 237.391 1.391 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)CO1 ZINC000647217433 384038517 /nfs/dbraw/zinc/03/85/17/384038517.db2.gz QLBQEZWKHXXDGL-AGIUHOORSA-N 2 0 226.364 1.485 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@@H](C)C[C@@H](C)[NH3+] ZINC000564973824 384055797 /nfs/dbraw/zinc/05/57/97/384055797.db2.gz UUTJUTVTMPRPDL-VWYCJHECSA-N 2 0 201.358 1.075 20 0 BDADRP c1cn(CCC[NH2+]Cc2ccccn2)cn1 ZINC000038880392 384096046 /nfs/dbraw/zinc/09/60/46/384096046.db2.gz VQOPJBBWUKYHJD-UHFFFAOYSA-N 2 0 216.288 1.458 20 0 BDADRP CO[C@@H](C[NH2+][C@@H](C)CC[NH+](C)C)CC(C)C ZINC000669572614 487528461 /nfs/dbraw/zinc/52/84/61/487528461.db2.gz VZRZALCWHVKFEW-QWHCGFSZSA-N 2 0 230.396 1.977 20 0 BDADRP CC(C)(CCC[NH3+])NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000648142065 384171982 /nfs/dbraw/zinc/17/19/82/384171982.db2.gz IDHJDQIKORNSAN-NSHDSACASA-N 2 0 241.379 1.152 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H]2CO[C@H](C)C2)CC1 ZINC000401871844 384185416 /nfs/dbraw/zinc/18/54/16/384185416.db2.gz CJGFQQZDZVFGPC-YPMHNXCESA-N 2 0 226.364 1.485 20 0 BDADRP COC[C@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000309456231 384188563 /nfs/dbraw/zinc/18/85/63/384188563.db2.gz MNEONOGUJMAVGF-NSHDSACASA-N 2 0 226.364 1.485 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000133335441 384235051 /nfs/dbraw/zinc/23/50/51/384235051.db2.gz FLQBHKZYPWWNGM-GHMZBOCLSA-N 2 0 214.353 1.341 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CO[C@H](C)C2)C1 ZINC000401899550 384241381 /nfs/dbraw/zinc/24/13/81/384241381.db2.gz PPAHQHUBRRYUSZ-UTUOFQBUSA-N 2 0 212.337 1.095 20 0 BDADRP COC1(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)CCCC1 ZINC000319230000 384215571 /nfs/dbraw/zinc/21/55/71/384215571.db2.gz VBNXAYLFBAIROM-NWDGAFQWSA-N 2 0 226.364 1.615 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000133006277 384220432 /nfs/dbraw/zinc/22/04/32/384220432.db2.gz UVRNHJYLHGEEGJ-GRYCIOLGSA-N 2 0 214.353 1.341 20 0 BDADRP COC1(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)CCCC1 ZINC000319239330 384222106 /nfs/dbraw/zinc/22/21/06/384222106.db2.gz WKJJVQOZZTUGCY-VXGBXAGGSA-N 2 0 226.364 1.615 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)CO1 ZINC000401908750 384246899 /nfs/dbraw/zinc/24/68/99/384246899.db2.gz VKNMIIGKXRZKHR-UTUOFQBUSA-N 2 0 212.337 1.095 20 0 BDADRP Cn1ccc(CN2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000093597418 384251748 /nfs/dbraw/zinc/25/17/48/384251748.db2.gz DFSLKWZUOWIIEA-HNNXBMFYSA-N 2 0 247.386 1.943 20 0 BDADRP [NH3+]Cc1cccc(OCCC2CC[NH2+]CC2)c1 ZINC000644167608 384254490 /nfs/dbraw/zinc/25/44/90/384254490.db2.gz RSMYGXOQLSWMCZ-UHFFFAOYSA-N 2 0 234.343 1.914 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000644166528 384257641 /nfs/dbraw/zinc/25/76/41/384257641.db2.gz WHHVMMDULLOLCW-YVECIDJPSA-N 2 0 226.364 1.804 20 0 BDADRP Cc1ccc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)cc1C ZINC000313354916 384277866 /nfs/dbraw/zinc/27/78/66/384277866.db2.gz MZYYUVSYWHCLFZ-OAHLLOKOSA-N 2 0 248.370 1.853 20 0 BDADRP C[C@H](O)C1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000235544899 384268331 /nfs/dbraw/zinc/26/83/31/384268331.db2.gz NSVUSZUNIALQAO-LBPRGKRZSA-N 2 0 240.391 1.469 20 0 BDADRP [NH3+]C[C@H]1C[N@H+](C[C@@H]2CCC(F)(F)C2)CCCO1 ZINC000313357063 384279129 /nfs/dbraw/zinc/27/91/29/384279129.db2.gz SUVQLGVAMIOWQA-MNOVXSKESA-N 2 0 248.317 1.471 20 0 BDADRP C[NH2+]C[C@H](C)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000569576191 384280912 /nfs/dbraw/zinc/28/09/12/384280912.db2.gz HEPANHSUIQTIKX-JTQLQIEISA-N 2 0 247.342 1.126 20 0 BDADRP CSCC[N@H+](C)CCCn1ccnc1 ZINC000119743581 384299516 /nfs/dbraw/zinc/29/95/16/384299516.db2.gz UTNHOBOAQOZWEA-UHFFFAOYSA-N 2 0 213.350 1.568 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCOCC(F)F ZINC000236261036 384300421 /nfs/dbraw/zinc/30/04/21/384300421.db2.gz SZGDAVAXPMSASG-UWVGGRQHSA-N 2 0 236.306 1.375 20 0 BDADRP Cc1ccc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cn1 ZINC000228860023 384346709 /nfs/dbraw/zinc/34/67/09/384346709.db2.gz WWAVGCQPHZEXHV-WCQYABFASA-N 2 0 219.332 1.559 20 0 BDADRP CC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCCC[C@@H]1CC ZINC000168928724 384355040 /nfs/dbraw/zinc/35/50/40/384355040.db2.gz JKKPCTSJCNICJL-RYUDHWBXSA-N 2 0 241.379 1.104 20 0 BDADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]CCC[NH+](C)C ZINC000120033439 384324227 /nfs/dbraw/zinc/32/42/27/384324227.db2.gz JRIALFOICPVADS-GFCCVEGCSA-N 2 0 243.395 1.175 20 0 BDADRP C[NH+](C)CCCCNC(=O)c1ccc(C[NH3+])cc1 ZINC000045663056 384402353 /nfs/dbraw/zinc/40/23/53/384402353.db2.gz AFIQFAGBNWONBT-UHFFFAOYSA-N 2 0 249.358 1.217 20 0 BDADRP C[C@H]1CCC[C@H](C[NH+]2CCC(O)(C[NH3+])CC2)C1 ZINC000335626572 384403292 /nfs/dbraw/zinc/40/32/92/384403292.db2.gz UKZAWRKUSRPLSP-STQMWFEESA-N 2 0 240.391 1.598 20 0 BDADRP C[NH+]1CCC(O)(C[NH2+]C2CC(C)(C)C2)CC1 ZINC000335642434 384414580 /nfs/dbraw/zinc/41/45/80/384414580.db2.gz BSVWOHXACWHLPR-UHFFFAOYSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@H]1[NH2+]CCC[C@H]1NC1CC[NH+](C2CC2)CC1 ZINC000335644679 384418313 /nfs/dbraw/zinc/41/83/13/384418313.db2.gz XHNNNMJTVOQMFI-BXUZGUMPSA-N 2 0 237.391 1.343 20 0 BDADRP CSCCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000084222151 384377509 /nfs/dbraw/zinc/37/75/09/384377509.db2.gz LCQVAGOWDGZYGU-VHSXEESVSA-N 2 0 202.367 1.457 20 0 BDADRP C[NH+](C)CCCN[C@H]1CCCC[C@H]1C[NH3+] ZINC000084215640 384378020 /nfs/dbraw/zinc/37/80/20/384378020.db2.gz QGEXMVZPGGJRAZ-RYUDHWBXSA-N 3 0 213.369 1.045 20 0 BDADRP Cn1cccc1C[NH2+]CCCC[NH+](C)C ZINC000050596332 384383473 /nfs/dbraw/zinc/38/34/73/384383473.db2.gz PZGOHRGMHPYLBR-UHFFFAOYSA-N 2 0 209.337 1.457 20 0 BDADRP Cc1ccncc1CN[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000229594728 384384126 /nfs/dbraw/zinc/38/41/26/384384126.db2.gz PEYZLCRGWALQMV-OCCSQVGLSA-N 2 0 233.359 1.820 20 0 BDADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+]CCCC[NH3+] ZINC000305968090 384450972 /nfs/dbraw/zinc/45/09/72/384450972.db2.gz GHYPUSIGAWYJEH-GFCCVEGCSA-N 2 0 249.358 1.732 20 0 BDADRP COCC[N@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000647513976 384428412 /nfs/dbraw/zinc/42/84/12/384428412.db2.gz ZLYGULLJDAXEEN-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP C[NH2+][C@@H]1CCN(CCCCC2CCOCC2)C1 ZINC000305894897 384432824 /nfs/dbraw/zinc/43/28/24/384432824.db2.gz CJVPGPXFFDCYFR-CQSZACIVSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)O1 ZINC000148832964 384473420 /nfs/dbraw/zinc/47/34/20/384473420.db2.gz UOSWVQVZQOZHBW-FDYHWXHSSA-N 2 0 226.364 1.626 20 0 BDADRP CC(C)[NH2+]CCC[NH2+]C1CCSCC1 ZINC000572593394 384516458 /nfs/dbraw/zinc/51/64/58/384516458.db2.gz PSWZCMBDLUBOHX-UHFFFAOYSA-N 2 0 216.394 1.860 20 0 BDADRP [NH3+][C@@H]1CCCN([C@@H]2CCCSC2)C1 ZINC000061590674 384518916 /nfs/dbraw/zinc/51/89/16/384518916.db2.gz PTPCHCLMAWZAIG-NXEZZACHSA-N 2 0 200.351 1.305 20 0 BDADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccccc1 ZINC000019366705 384519741 /nfs/dbraw/zinc/51/97/41/384519741.db2.gz CQSWQTMENLGVRF-UHFFFAOYSA-N 2 0 249.402 1.612 20 0 BDADRP C[N@H+](CCCN1CC[NH+](C)CC1)CC1CCC1 ZINC000161798929 384528218 /nfs/dbraw/zinc/52/82/18/384528218.db2.gz VUXSXAOFLHNNPJ-UHFFFAOYSA-N 2 0 239.407 1.356 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)Cn1cccn1 ZINC000309738879 384569655 /nfs/dbraw/zinc/56/96/55/384569655.db2.gz HEIMYJVRQFWIKJ-VXGBXAGGSA-N 2 0 224.352 1.201 20 0 BDADRP CC(C)[C@H]1C[N@H+](CCn2ccnc2)CCS1 ZINC000162090129 384573608 /nfs/dbraw/zinc/57/36/08/384573608.db2.gz HUAPZWYLCCOHOU-GFCCVEGCSA-N 2 0 239.388 1.957 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643066560 384579183 /nfs/dbraw/zinc/57/91/83/384579183.db2.gz QDVUUWQSFSNESK-ZIAGYGMSSA-N 2 0 239.407 1.402 20 0 BDADRP CC(C)(C)[NH2+]CCN1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000647534625 384646183 /nfs/dbraw/zinc/64/61/83/384646183.db2.gz SATGSQAQFUWTEY-RYUDHWBXSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H]1C[C@H](CN2CC[C@@H]3CC[NH2+][C@@H]3C2)CC[NH2+]1 ZINC000647534442 384646851 /nfs/dbraw/zinc/64/68/51/384646851.db2.gz NLYSCCGWGGVITR-YIYPIFLZSA-N 2 0 237.391 1.058 20 0 BDADRP CC[C@H](COC)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000086404407 384647679 /nfs/dbraw/zinc/64/76/79/384647679.db2.gz OJDOEFKKROWIHP-HBNTYKKESA-N 2 0 200.326 1.271 20 0 BDADRP CC1(F)CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000258787544 384661237 /nfs/dbraw/zinc/66/12/37/384661237.db2.gz GLTYYRDNMQWTHC-NSHDSACASA-N 2 0 214.328 1.810 20 0 BDADRP CC(C)[C@H]1CC[C@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423179563 384690375 /nfs/dbraw/zinc/69/03/75/384690375.db2.gz HKZWBHQZEQFNHV-ZIAGYGMSSA-N 2 0 239.407 1.306 20 0 BDADRP Cn1ccc(C[NH2+]CCC2CC[NH+](C)CC2)c1 ZINC000125008928 384691052 /nfs/dbraw/zinc/69/10/52/384691052.db2.gz MEDYFBIGBZJWNA-UHFFFAOYSA-N 2 0 235.375 1.847 20 0 BDADRP [NH3+]CCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543235 384713291 /nfs/dbraw/zinc/71/32/91/384713291.db2.gz JTMPWXFWGRHZDY-QWHCGFSZSA-N 3 0 225.380 1.047 20 0 BDADRP COC1(C[NH2+]C[C@H](C)C[NH3+])CCCC1 ZINC000308516073 384777292 /nfs/dbraw/zinc/77/72/92/384777292.db2.gz NKOLYPVUUVSIAS-SNVBAGLBSA-N 2 0 200.326 1.130 20 0 BDADRP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H]1CCCCN1 ZINC000647546230 384729991 /nfs/dbraw/zinc/72/99/91/384729991.db2.gz GEWQWGFMUPTGCZ-AAVRWANBSA-N 2 0 237.391 1.106 20 0 BDADRP CCC([NH3+])(CC)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647546239 384731066 /nfs/dbraw/zinc/73/10/66/384731066.db2.gz GLDRAKBMGBRFKC-YNEHKIRRSA-N 3 0 239.407 1.482 20 0 BDADRP C[C@H]1C[NH2+]C[C@H](Nc2ccc(C[NH3+])cc2)C1 ZINC000647546864 384733119 /nfs/dbraw/zinc/73/31/19/384733119.db2.gz FDILKKWLZNDMMR-ZWNOBZJWSA-N 2 0 219.332 1.555 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC000647546904 384734192 /nfs/dbraw/zinc/73/41/92/384734192.db2.gz GYGBFICLFKDXOO-NEPJUHHUSA-N 3 0 213.369 1.093 20 0 BDADRP COC[C@@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000234695686 384735914 /nfs/dbraw/zinc/73/59/14/384735914.db2.gz KPZQSSCSJJFETA-CQSZACIVSA-N 2 0 240.391 1.735 20 0 BDADRP Nc1ccc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)cn1 ZINC000647547087 384736886 /nfs/dbraw/zinc/73/68/86/384736886.db2.gz NAZBMQCYDNHZQY-GFCCVEGCSA-N 2 0 234.347 1.116 20 0 BDADRP COC[C@@H](C)C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000054243816 384738467 /nfs/dbraw/zinc/73/84/67/384738467.db2.gz HPZCPULEFGPAFR-NWDGAFQWSA-N 2 0 214.353 1.200 20 0 BDADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647548038 384750743 /nfs/dbraw/zinc/75/07/43/384750743.db2.gz SIGFSNGWRCSPLP-XHJNMGKDSA-N 3 0 237.391 1.092 20 0 BDADRP C[C@H](C(=O)Nc1cccc(C[NH3+])c1)[NH+](C)C ZINC000022170857 384752715 /nfs/dbraw/zinc/75/27/15/384752715.db2.gz MWPPBHYHNFJWSY-SECBINFHSA-N 2 0 221.304 1.034 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647552373 384758568 /nfs/dbraw/zinc/75/85/68/384758568.db2.gz YBBGKVHEDLLMIL-DHGKCCLASA-N 3 0 237.391 1.234 20 0 BDADRP Cc1ccc(C[N@H+](CCC[NH3+])CC2CC2)cn1 ZINC000647552828 384762685 /nfs/dbraw/zinc/76/26/85/384762685.db2.gz ZKNPTCKSMQSMCX-UHFFFAOYSA-N 2 0 233.359 1.951 20 0 BDADRP CC(C)(C)[NH2+]CCN[C@@H]1CC[NH2+]C12CCCC2 ZINC000647553882 384767984 /nfs/dbraw/zinc/76/79/84/384767984.db2.gz LWWLHEWBXJAMPI-GFCCVEGCSA-N 2 0 239.407 1.639 20 0 BDADRP C[C@H](C[NH2+][C@H]1CCCSC1)C[NH+](C)C ZINC000308588397 384826138 /nfs/dbraw/zinc/82/61/38/384826138.db2.gz UATZGVUMTMKDEV-MNOVXSKESA-N 2 0 216.394 1.669 20 0 BDADRP CC(C)([NH3+])CCC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000648148055 384829196 /nfs/dbraw/zinc/82/91/96/384829196.db2.gz BRMTUGIMBSFPGB-JTQLQIEISA-N 2 0 241.379 1.008 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1cnccc1N ZINC000423358595 384833239 /nfs/dbraw/zinc/83/32/39/384833239.db2.gz BWUNWJBSYKKCDH-HBNTYKKESA-N 2 0 234.347 1.415 20 0 BDADRP COC[C@H]([NH2+]C1CCC([NH3+])CC1)C1CC1 ZINC000087480098 384797520 /nfs/dbraw/zinc/79/75/20/384797520.db2.gz TUJAVZOSUSNBFZ-MCIGGMRASA-N 2 0 212.337 1.271 20 0 BDADRP COCC1(C[NH2+][C@H](C)C2CC2)CC[NH2+]CC1 ZINC000398089874 384799609 /nfs/dbraw/zinc/79/96/09/384799609.db2.gz VOONRNJKVKPFRK-LLVKDONJSA-N 2 0 226.364 1.391 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]C[C@@]1(C)CCCS1 ZINC000308553860 384802294 /nfs/dbraw/zinc/80/22/94/384802294.db2.gz UFWMODVSNJBEHG-WDEREUQCSA-N 2 0 216.394 1.989 20 0 BDADRP CC(C)CC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000077339226 384872212 /nfs/dbraw/zinc/87/22/12/384872212.db2.gz SWQTUJYQFGIOMJ-ZDUSSCGKSA-N 2 0 225.380 1.012 20 0 BDADRP C[C@@H]([NH2+]CCC[NH+](C)C)C1CCOCC1 ZINC000151966571 384883121 /nfs/dbraw/zinc/88/31/21/384883121.db2.gz QTPCEPYVEUHYMG-LLVKDONJSA-N 2 0 214.353 1.343 20 0 BDADRP C(C[C@H]1CCC[NH2+]1)[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000423363675 384842757 /nfs/dbraw/zinc/84/27/57/384842757.db2.gz UVWDXGNQIWFQFI-AGIUHOORSA-N 2 0 208.349 1.907 20 0 BDADRP COC[C@]1(C[NH2+][C@H]2CC[C@H]2C2CC2)CCC[NH2+]1 ZINC000423414728 384861060 /nfs/dbraw/zinc/86/10/60/384861060.db2.gz NSCSREZGYRYKPG-MELADBBJSA-N 2 0 238.375 1.533 20 0 BDADRP CC[C@H](CCO)[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000156783752 384957744 /nfs/dbraw/zinc/95/77/44/384957744.db2.gz BYFRJQGZPSPSDW-WUHRBBMRSA-N 2 0 228.380 1.466 20 0 BDADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[NH3+])c1cccnc1 ZINC000259221238 384958378 /nfs/dbraw/zinc/95/83/78/384958378.db2.gz XOLHKZZQMZULET-QWHCGFSZSA-N 2 0 233.359 1.829 20 0 BDADRP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc2c(c1)OCO2 ZINC000310201913 384902207 /nfs/dbraw/zinc/90/22/07/384902207.db2.gz BWTMIOOWMSKGSI-VHSXEESVSA-N 2 0 236.315 1.661 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000310201914 384902258 /nfs/dbraw/zinc/90/22/58/384902258.db2.gz BWTMIOOWMSKGSI-ZJUUUORDSA-N 2 0 236.315 1.661 20 0 BDADRP CC(C)C[C@H]([NH3+])c1noc(CC2([NH3+])CCC2)n1 ZINC000647130025 384907346 /nfs/dbraw/zinc/90/73/46/384907346.db2.gz XNZXGZVMCAKDBS-VIFPVBQESA-N 2 0 238.335 1.539 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCOC[C@H]2C)C1 ZINC000306016296 384919066 /nfs/dbraw/zinc/91/90/66/384919066.db2.gz RYPDKCRVIWFVOZ-HZSPNIEDSA-N 2 0 240.391 1.731 20 0 BDADRP Cc1ccc(C[NH2+]C[C@H](C)C[NH3+])cc1C ZINC000258741682 384940891 /nfs/dbraw/zinc/94/08/91/384940891.db2.gz KZFLYEMKAGWVJI-SNVBAGLBSA-N 2 0 206.333 1.988 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@H]1CCn2ccnc21 ZINC000345343548 384988529 /nfs/dbraw/zinc/98/85/29/384988529.db2.gz HOWQKIGNRHJUDQ-RYUDHWBXSA-N 2 0 236.363 1.648 20 0 BDADRP CSCC[C@H](C)[N@H+](C)CCOCC[NH3+] ZINC000156905040 385022196 /nfs/dbraw/zinc/02/21/96/385022196.db2.gz TUXUIMGAVMNRTC-JTQLQIEISA-N 2 0 220.382 1.035 20 0 BDADRP [NH3+]CCC1CC[NH+](Cc2ccns2)CC1 ZINC000404490087 385022254 /nfs/dbraw/zinc/02/22/54/385022254.db2.gz HHPZNTOMFPDVJQ-UHFFFAOYSA-N 2 0 225.361 1.704 20 0 BDADRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cc[nH]c2)C1 ZINC000086256454 385004007 /nfs/dbraw/zinc/00/40/07/385004007.db2.gz GGWUZEJPPSUIQH-OLZOCXBDSA-N 2 0 221.348 1.977 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(C)C ZINC000310367239 385007098 /nfs/dbraw/zinc/00/70/98/385007098.db2.gz WNBJQRLDPRZVHT-BFHYXJOUSA-N 2 0 240.391 1.874 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)NCC[N@H+](CC)C1CC1 ZINC000226398181 385008819 /nfs/dbraw/zinc/00/88/19/385008819.db2.gz LPCNMDHMVCPNIL-ZDUSSCGKSA-N 2 0 241.379 1.104 20 0 BDADRP OC1(C[NH2+][C@@H]2CCn3ccnc3C2)CCCC1 ZINC000644626211 385020418 /nfs/dbraw/zinc/02/04/18/385020418.db2.gz ZGGBFARPRTZEGU-LLVKDONJSA-N 2 0 235.331 1.093 20 0 BDADRP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)[C@H]1CCCO1 ZINC000336644718 385050969 /nfs/dbraw/zinc/05/09/69/385050969.db2.gz CMQNKFNDYFPBAI-NWDGAFQWSA-N 2 0 228.380 1.731 20 0 BDADRP CC1(C)[C@H]([NH2+]CCc2ccccc2)C[C@@H]1[NH3+] ZINC000404789850 385062928 /nfs/dbraw/zinc/06/29/28/385062928.db2.gz QVDRLMAACBDANJ-QWHCGFSZSA-N 2 0 218.344 1.945 20 0 BDADRP CC[C@@H](O)C[NH2+]CCCCC[NH+]1CCCC1 ZINC000644654531 385063737 /nfs/dbraw/zinc/06/37/37/385063737.db2.gz VQHYPGBICRAOMF-CYBMUJFWSA-N 2 0 228.380 1.613 20 0 BDADRP CC[C@@H](O)C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000644667125 385081936 /nfs/dbraw/zinc/08/19/36/385081936.db2.gz XYVMTNCQZIBPDG-GFCCVEGCSA-N 2 0 219.288 1.195 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccccn1 ZINC000086700281 385041327 /nfs/dbraw/zinc/04/13/27/385041327.db2.gz LAZJUNRTNUYLAU-NSHDSACASA-N 2 0 219.332 1.732 20 0 BDADRP C[C@](O)(C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000310403646 385043556 /nfs/dbraw/zinc/04/35/56/385043556.db2.gz LFZDCBIZEWOIRL-MJBXVCDLSA-N 2 0 238.375 1.364 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)CC[C@@H]1O ZINC000189290012 385139449 /nfs/dbraw/zinc/13/94/49/385139449.db2.gz LVWXDBGESYONLL-AGIUHOORSA-N 2 0 226.364 1.173 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CC1(COC)CCC1 ZINC000310490327 385095212 /nfs/dbraw/zinc/09/52/12/385095212.db2.gz HAVNDSMLWWAORS-GFCCVEGCSA-N 2 0 244.379 1.147 20 0 BDADRP CC[C@H](N[C@@H](C)C[NH+](CC)CC)[C@@H]1CCC[NH2+]1 ZINC000422720515 385195224 /nfs/dbraw/zinc/19/52/24/385195224.db2.gz SPEXUQWKTCDXER-IHRRRGAJSA-N 2 0 241.423 1.837 20 0 BDADRP CC[N@H+](C)CCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227540413 385157930 /nfs/dbraw/zinc/15/79/30/385157930.db2.gz WWZYGKBGEIAKAZ-ZIAGYGMSSA-N 2 0 233.359 1.673 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+]([C@H]3CCCOC3)C2)C1 ZINC000644784224 385169247 /nfs/dbraw/zinc/16/92/47/385169247.db2.gz WKKJNCGJSSBYPI-QWHCGFSZSA-N 2 0 224.348 1.193 20 0 BDADRP CCN1CCC([N@H+](C)C[C@H]2CCCO2)CC1 ZINC000157430826 385177399 /nfs/dbraw/zinc/17/73/99/385177399.db2.gz LZJVEAQDUAAAMB-CYBMUJFWSA-N 2 0 226.364 1.582 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CCSC(C)C ZINC000308808883 385177867 /nfs/dbraw/zinc/17/78/67/385177867.db2.gz NBGASVCLDSETAK-LLVKDONJSA-N 2 0 234.409 1.472 20 0 BDADRP CC(C)OCC[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000164662461 385223328 /nfs/dbraw/zinc/22/33/28/385223328.db2.gz XVGASSZFNNERDX-RYUDHWBXSA-N 2 0 214.353 1.328 20 0 BDADRP CC(C)OCC[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000164662343 385223960 /nfs/dbraw/zinc/22/39/60/385223960.db2.gz XVGASSZFNNERDX-NEPJUHHUSA-N 2 0 214.353 1.328 20 0 BDADRP CC(C)[C@@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000108323998 385233400 /nfs/dbraw/zinc/23/34/00/385233400.db2.gz CGECBUXDRCIOCS-CHWSQXEVSA-N 2 0 210.365 1.964 20 0 BDADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCOC2(C)C)CC1 ZINC000336352566 385240341 /nfs/dbraw/zinc/24/03/41/385240341.db2.gz YMWWKQCRULNQHY-GFCCVEGCSA-N 2 0 224.348 1.405 20 0 BDADRP Cc1c[nH+]ccc1NC[C@@H](C)C[NH+](C)C ZINC000308899367 385253460 /nfs/dbraw/zinc/25/34/60/385253460.db2.gz JREWGWMVPQJKGS-SNVBAGLBSA-N 2 0 207.321 2.000 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCSCCCO ZINC000167392774 385311900 /nfs/dbraw/zinc/31/19/00/385311900.db2.gz JINLJPYSDZXLFT-RYUDHWBXSA-N 2 0 246.420 1.032 20 0 BDADRP CC(C)N(C)CC[NH2+][C@H](C)CCn1cccn1 ZINC000157711642 385259383 /nfs/dbraw/zinc/25/93/83/385259383.db2.gz AKPUDPBKEVBVDA-CYBMUJFWSA-N 2 0 238.379 1.592 20 0 BDADRP [NH3+]C1(c2noc(C3([NH3+])CCCC3)n2)CCC1 ZINC000647140436 385260586 /nfs/dbraw/zinc/26/05/86/385260586.db2.gz KCYPPGFGEZYMHC-UHFFFAOYSA-N 2 0 222.292 1.136 20 0 BDADRP Cc1cncc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000299894899 385268957 /nfs/dbraw/zinc/26/89/57/385268957.db2.gz BVKWSKHIMZGGMB-AAEUAGOBSA-N 2 0 219.332 1.559 20 0 BDADRP C[NH+](C)CCCC[NH2+]Cc1ccccn1 ZINC000045598329 385271559 /nfs/dbraw/zinc/27/15/59/385271559.db2.gz BVYUWDLSBGTQOC-UHFFFAOYSA-N 2 0 207.321 1.513 20 0 BDADRP CC[NH+]1CCC([NH2+]CC2=CC[N@H+](C)CC2)CC1 ZINC000344294637 385272001 /nfs/dbraw/zinc/27/20/01/385272001.db2.gz JITOKNWOCVSEJI-UHFFFAOYSA-N 3 0 237.391 1.322 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)[C@H]([NH3+])CC(C)C)c1 ZINC000647096247 385287961 /nfs/dbraw/zinc/28/79/61/385287961.db2.gz KYQIEDSPQZSBDK-CYBMUJFWSA-N 2 0 249.358 1.766 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H](C)N(C)C1CC1 ZINC000336698837 385323864 /nfs/dbraw/zinc/32/38/64/385323864.db2.gz ORYSESUMIAPJPL-QWRGUYRKSA-N 3 0 213.369 1.186 20 0 BDADRP Cc1cc(C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)ccn1 ZINC000405243529 385399181 /nfs/dbraw/zinc/39/91/81/385399181.db2.gz XSQRZJPHWLAKBN-NWDGAFQWSA-N 2 0 219.332 1.605 20 0 BDADRP Cc1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)ccn1 ZINC000405243531 385399451 /nfs/dbraw/zinc/39/94/51/385399451.db2.gz XSQRZJPHWLAKBN-VXGBXAGGSA-N 2 0 219.332 1.605 20 0 BDADRP Cc1ccc([C@@H](CNC(=O)[C@H](C)[NH3+])[NH+](C)C)cc1 ZINC000165625226 385405326 /nfs/dbraw/zinc/40/53/26/385405326.db2.gz SETDXFRYBQXMMR-WCQYABFASA-N 2 0 249.358 1.061 20 0 BDADRP CC[NH2+]Cc1ccccc1NC(=O)[C@H]1CCC[NH2+]1 ZINC000647662448 385409967 /nfs/dbraw/zinc/40/99/67/385409967.db2.gz DHOQAWOPPBRNLQ-CYBMUJFWSA-N 2 0 247.342 1.487 20 0 BDADRP CN(CCC[NH3+])C(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000644067435 385416595 /nfs/dbraw/zinc/41/65/95/385416595.db2.gz VENUPCPSAQKNBW-NWDGAFQWSA-N 2 0 241.379 1.091 20 0 BDADRP CC[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000647498836 385421967 /nfs/dbraw/zinc/42/19/67/385421967.db2.gz RVFXADAVONOKLM-CHWSQXEVSA-N 2 0 225.380 1.045 20 0 BDADRP CC1(C)[C@H]([NH2+]CCOc2ccccc2)C[C@@H]1[NH3+] ZINC000405285600 385452217 /nfs/dbraw/zinc/45/22/17/385452217.db2.gz FXDBFMNTBHJGAP-QWHCGFSZSA-N 2 0 234.343 1.781 20 0 BDADRP COC1CC([NH2+]C[C@@H]2N(C)CCCC2(C)C)C1 ZINC000448369486 385467925 /nfs/dbraw/zinc/46/79/25/385467925.db2.gz ZDRFFUIUSLOQDX-BPCQOVAHSA-N 2 0 240.391 1.874 20 0 BDADRP CC[NH+](CC)CCCN[C@@H]1CC[NH2+]CC1(C)C ZINC000302338737 385515485 /nfs/dbraw/zinc/51/54/85/385515485.db2.gz OAGSILISLQGWTI-CYBMUJFWSA-N 2 0 241.423 1.696 20 0 BDADRP C([C@H]1CCCCO1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257705474 385490022 /nfs/dbraw/zinc/49/00/22/385490022.db2.gz RCVVBISYTBQCNZ-CHWSQXEVSA-N 2 0 224.348 1.241 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCN1CCSCC1 ZINC000309395047 385560871 /nfs/dbraw/zinc/56/08/71/385560871.db2.gz SRLJLMQBFKMPAD-GFCCVEGCSA-N 2 0 245.436 1.142 20 0 BDADRP CN(C)[C@H](C(=O)NCCCC[NH3+])c1ccccc1 ZINC000181042370 385561832 /nfs/dbraw/zinc/56/18/32/385561832.db2.gz CKKCFYMNICZEMK-ZDUSSCGKSA-N 2 0 249.358 1.144 20 0 BDADRP CC[NH+](CC)CCN1CC[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000365008281 385563564 /nfs/dbraw/zinc/56/35/64/385563564.db2.gz KJZDYQLGXNEBFB-UONOGXRCSA-N 2 0 239.407 1.354 20 0 BDADRP CC(C)C[C@@H](CN(C)C)[NH2+][C@H](C)CCC[NH3+] ZINC000309463467 385593693 /nfs/dbraw/zinc/59/36/93/385593693.db2.gz SGEQREQWDMSJSA-OLZOCXBDSA-N 2 0 229.412 1.680 20 0 BDADRP CCN(CC)CC[NH2+][C@@H](C)CCCC[NH3+] ZINC000336676695 385604366 /nfs/dbraw/zinc/60/43/66/385604366.db2.gz HUERCNRIXIBMCU-LBPRGKRZSA-N 2 0 215.385 1.435 20 0 BDADRP CCOC[C@H]1CCC[C@H]1[NH2+]CCC[NH+](C)C ZINC000309448236 385588965 /nfs/dbraw/zinc/58/89/65/385588965.db2.gz KJSYNXCXORNAFI-CHWSQXEVSA-N 2 0 228.380 1.733 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CCN1CCCCCC1 ZINC000309488952 385618346 /nfs/dbraw/zinc/61/83/46/385618346.db2.gz XTENHGPHNZZKLV-ZDUSSCGKSA-N 2 0 227.396 1.579 20 0 BDADRP C(N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000414849492 385622160 /nfs/dbraw/zinc/62/21/60/385622160.db2.gz RIHZYAPFFZASKR-XDQVBPFNSA-N 2 0 237.391 1.249 20 0 BDADRP Cc1n[nH]c(C)c1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000108283653 385629959 /nfs/dbraw/zinc/62/99/59/385629959.db2.gz KCAAYDNUTAIHEV-CHWSQXEVSA-N 2 0 248.374 1.743 20 0 BDADRP CC(C)C[C@H](C[NH3+])N[C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000414856745 385717060 /nfs/dbraw/zinc/71/70/60/385717060.db2.gz ZKZAIVPVTYTYCX-FRRDWIJNSA-N 3 0 227.396 1.480 20 0 BDADRP CC[NH2+]CCN[C@H](C)Cc1ccc(F)cc1 ZINC000414852235 385678270 /nfs/dbraw/zinc/67/82/70/385678270.db2.gz VUGOTMHIEZWMSD-LLVKDONJSA-N 2 0 224.323 1.956 20 0 BDADRP C([NH2+][C@H]1CCC[C@H]1C1CC1)[C@@H]1CCC[NH2+]1 ZINC000414854412 385693466 /nfs/dbraw/zinc/69/34/66/385693466.db2.gz ZJOAPICCBKXLBZ-AVGNSLFASA-N 2 0 208.349 1.907 20 0 BDADRP CC(C)C[C@H](CN)[NH2+][C@@H]1CCCOCC1 ZINC000414856384 385712469 /nfs/dbraw/zinc/71/24/69/385712469.db2.gz YUBLRZDLUMHGAW-VXGBXAGGSA-N 2 0 214.353 1.519 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000336735813 385716224 /nfs/dbraw/zinc/71/62/24/385716224.db2.gz ONIVPWQLTZZLMI-SDDRHHMPSA-N 2 0 214.353 1.077 20 0 BDADRP Fc1cccnc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647794154 385734635 /nfs/dbraw/zinc/73/46/35/385734635.db2.gz SEDCIVXFVBRMFH-GRYCIOLGSA-N 2 0 249.333 1.698 20 0 BDADRP C[NH2+]CCC[NH2+]C1Cc2ccccc2C1 ZINC000414860326 385747370 /nfs/dbraw/zinc/74/73/70/385747370.db2.gz PIYJBDFYLWGCLS-UHFFFAOYSA-N 2 0 204.317 1.353 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H](C)Cc1ccn(C(C)C)n1 ZINC000414862110 385749822 /nfs/dbraw/zinc/74/98/22/385749822.db2.gz URONPVACUARYSW-LBPRGKRZSA-N 2 0 238.379 1.594 20 0 BDADRP c1n[nH]cc1CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000310972362 385777700 /nfs/dbraw/zinc/77/77/00/385777700.db2.gz RLYOGDNZKLGVFY-UONOGXRCSA-N 2 0 248.374 1.416 20 0 BDADRP C[C@@H](C[NH3+])N[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000414944803 385783618 /nfs/dbraw/zinc/78/36/18/385783618.db2.gz OUNVJDGSQYMXES-SRVKXCTJSA-N 2 0 213.369 1.234 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CC1(O)CCCCC1 ZINC000336709776 385798258 /nfs/dbraw/zinc/79/82/58/385798258.db2.gz SUXWQFGQBADVCG-LLVKDONJSA-N 2 0 214.353 1.399 20 0 BDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H]1CCC[NH2+]C1 ZINC000414867453 385802076 /nfs/dbraw/zinc/80/20/76/385802076.db2.gz OFEVZYVUOCBSPI-MCIONIFRSA-N 2 0 239.407 1.639 20 0 BDADRP CSC[C@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000186859638 385807198 /nfs/dbraw/zinc/80/71/98/385807198.db2.gz JVPGZVUUCHPRCQ-GFCCVEGCSA-N 2 0 228.405 1.813 20 0 BDADRP CSC[C@@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000186859621 385807381 /nfs/dbraw/zinc/80/73/81/385807381.db2.gz JVPGZVUUCHPRCQ-LBPRGKRZSA-N 2 0 228.405 1.813 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH+]1C)[C@@H]1CCSC1 ZINC000162653814 385826459 /nfs/dbraw/zinc/82/64/59/385826459.db2.gz YFDRDLDEPYSRBN-NWDGAFQWSA-N 2 0 228.405 1.908 20 0 BDADRP C[C@@H](NC(=O)CC[C@H]1CCCC[N@@H+]1C)[C@H](C)[NH3+] ZINC000521434456 385830060 /nfs/dbraw/zinc/83/00/60/385830060.db2.gz ZKPLHHSKPCHWGM-QJPTWQEYSA-N 2 0 241.379 1.103 20 0 BDADRP C[C@@H]([NH2+]CCCC1CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000647802856 385836255 /nfs/dbraw/zinc/83/62/55/385836255.db2.gz VZAOREHGFHSFJP-OCCSQVGLSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H]([NH2+][C@H]1CCS[C@@H]1C)C1C[NH2+]C1 ZINC000647804175 385840618 /nfs/dbraw/zinc/84/06/18/385840618.db2.gz KQJFBEXCNDLTOJ-XKSSXDPKSA-N 2 0 200.351 1.078 20 0 BDADRP C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000647804452 385841424 /nfs/dbraw/zinc/84/14/24/385841424.db2.gz QUPINFOYENDECL-XKNYDFJKSA-N 2 0 200.351 1.350 20 0 BDADRP C[C@@H](C[NH3+])C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000262310222 385842106 /nfs/dbraw/zinc/84/21/06/385842106.db2.gz CUIIIRVTHRFUFS-NSHDSACASA-N 2 0 249.358 1.324 20 0 BDADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H](C)[NH3+])cc1 ZINC000262458263 385849069 /nfs/dbraw/zinc/84/90/69/385849069.db2.gz UZDHDWCAKOPNSU-GWCFXTLKSA-N 2 0 249.358 1.273 20 0 BDADRP CC[C@H]([NH3+])C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000262494197 385851235 /nfs/dbraw/zinc/85/12/35/385851235.db2.gz VWYJQEQYXHCUOQ-ZDUSSCGKSA-N 2 0 249.358 1.101 20 0 BDADRP C[C@@H]1C[C@H]([N@H+](C)CCC[C@H]2CCO2)CCN1C ZINC000638115488 385851963 /nfs/dbraw/zinc/85/19/63/385851963.db2.gz DDWKGGWHPBKKEQ-MCIONIFRSA-N 2 0 240.391 1.970 20 0 BDADRP COc1cccc(OCC[N@H+](C)CCC[NH3+])c1 ZINC000647847540 385899375 /nfs/dbraw/zinc/89/93/75/385899375.db2.gz RZMOVZUJLVOYFE-UHFFFAOYSA-N 2 0 238.331 1.355 20 0 BDADRP Cc1ccccc1NC(=O)[C@@H](C)N(C)CCC[NH3+] ZINC000647849278 385901682 /nfs/dbraw/zinc/90/16/82/385901682.db2.gz NQNGTIMAFXUUPI-GFCCVEGCSA-N 2 0 249.358 1.603 20 0 BDADRP C[C@H](C[NH2+]CC1([NH3+])CCC1)CC1CCOCC1 ZINC000414877817 385929245 /nfs/dbraw/zinc/92/92/45/385929245.db2.gz NHIZZBQFVMSUCC-LBPRGKRZSA-N 2 0 240.391 1.910 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000336741735 385907583 /nfs/dbraw/zinc/90/75/83/385907583.db2.gz NLSXHWSYAZHCBI-AVGNSLFASA-N 2 0 228.380 1.325 20 0 BDADRP CO[C@H](C)C[N@H+](CC1CC[NH2+]CC1)C(C)C ZINC000160946037 385925584 /nfs/dbraw/zinc/92/55/84/385925584.db2.gz RMAJQBJXXOZXGH-GFCCVEGCSA-N 2 0 228.380 1.731 20 0 BDADRP C([C@@H]1CCOC1)[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647815130 385868368 /nfs/dbraw/zinc/86/83/68/385868368.db2.gz QEXXVNPBQSTEPW-NSHDSACASA-N 2 0 224.348 1.239 20 0 BDADRP C(C[NH2+]C[C@@H]1CCC[NH2+]C1)C[C@H]1CCC[NH2+]1 ZINC000414960938 385882270 /nfs/dbraw/zinc/88/22/70/385882270.db2.gz AVRJXJJVJSLUDN-OLZOCXBDSA-N 3 0 225.380 1.108 20 0 BDADRP [NH3+]C1CCC([NH2+][C@H]2CC[C@H](F)C2)CC1 ZINC000335018989 385977433 /nfs/dbraw/zinc/97/74/33/385977433.db2.gz YUNQZCVYNLVJHN-PMUOWJKOSA-N 2 0 200.301 1.737 20 0 BDADRP CC[NH+]1CCC(N[C@@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000335019207 385977608 /nfs/dbraw/zinc/97/76/08/385977608.db2.gz LUKIJDIPZXASIT-GXTWGEPZSA-N 2 0 239.407 1.448 20 0 BDADRP CC[C@H]([NH3+])CNC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000295151807 385978384 /nfs/dbraw/zinc/97/83/84/385978384.db2.gz CSLHTGACHDYOFC-WXHSDQCUSA-N 2 0 249.358 1.176 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H]2CCC[NH2+]C2)cc1 ZINC000335018787 385978490 /nfs/dbraw/zinc/97/84/90/385978490.db2.gz KVDPOYIQJCREIK-ZWNOBZJWSA-N 2 0 247.342 1.188 20 0 BDADRP CO[C@@](C)(C[NH2+]CCC[NH+](C)C)C1CC1 ZINC000309001850 385934001 /nfs/dbraw/zinc/93/40/01/385934001.db2.gz LPVUPFZLEVVNGY-LBPRGKRZSA-N 2 0 214.353 1.343 20 0 BDADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]C1CC1 ZINC000335043749 385937006 /nfs/dbraw/zinc/93/70/06/385937006.db2.gz WVHUKJYJTQSQON-DZGCQCFKSA-N 2 0 244.338 1.994 20 0 BDADRP CC1([NH3+])CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC000647924093 385939972 /nfs/dbraw/zinc/93/99/72/385939972.db2.gz FAIPRMUIYVSNKW-GFCCVEGCSA-N 2 0 226.364 1.759 20 0 BDADRP CCn1cc(C[NH2+]CCC[C@H]2CCC[NH2+]2)cn1 ZINC000414968486 385940425 /nfs/dbraw/zinc/94/04/25/385940425.db2.gz IFZSEONESTVPTB-ZDUSSCGKSA-N 2 0 236.363 1.525 20 0 BDADRP CC[NH+](CC)CCC[N@H+]1[C@@H](CO)CCC[C@@H]1C ZINC000338281967 385948753 /nfs/dbraw/zinc/94/87/53/385948753.db2.gz NWXWLUBBDCGSDJ-UONOGXRCSA-N 2 0 242.407 1.954 20 0 BDADRP CC(C)(C)[NH+]1CCC(N[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000335056186 385956342 /nfs/dbraw/zinc/95/63/42/385956342.db2.gz CWZASFKOHPUKPO-OLZOCXBDSA-N 2 0 239.407 1.719 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@H]1CC[NH2+]CC1(C)C ZINC000414969109 385959163 /nfs/dbraw/zinc/95/91/63/385959163.db2.gz ITAYNOJWKMSYOQ-RYUDHWBXSA-N 2 0 227.396 1.338 20 0 BDADRP C[NH+](C)CCC[NH2+][C@H]1CCc2ccccc2OC1 ZINC000338326817 385960167 /nfs/dbraw/zinc/96/01/67/385960167.db2.gz UHXBKWQCJLMMOL-AWEZNQCLSA-N 2 0 248.370 1.922 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+]CC2([NH3+])CCC2)CCO1 ZINC000414880333 385961699 /nfs/dbraw/zinc/96/16/99/385961699.db2.gz QNKGZEJJGXUNHS-NEPJUHHUSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@@H]([NH3+])CCC(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000335059890 385961715 /nfs/dbraw/zinc/96/17/15/385961715.db2.gz FZFAOMYVHNQYEG-ZYHUDNBSSA-N 2 0 247.342 1.030 20 0 BDADRP CC(C)[C@@H]1C[C@@H]([NH2+]CC2([NH3+])CCC2)CCO1 ZINC000414880341 385961742 /nfs/dbraw/zinc/96/17/42/385961742.db2.gz QNKGZEJJGXUNHS-RYUDHWBXSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2([NH3+])CCCCC2)CCO1 ZINC000335012502 385968952 /nfs/dbraw/zinc/96/89/52/385968952.db2.gz ZFOFOYPWZWACOM-NEPJUHHUSA-N 2 0 226.364 1.805 20 0 BDADRP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cn1 ZINC000335014101 385970508 /nfs/dbraw/zinc/97/05/08/385970508.db2.gz WZYIQRICVIQDBD-BXUZGUMPSA-N 2 0 233.359 1.868 20 0 BDADRP C(CN1CCC2(CC[NH2+]2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000335015803 385973808 /nfs/dbraw/zinc/97/38/08/385973808.db2.gz CBMJHYJPFADUTI-ZDUSSCGKSA-N 2 0 237.391 1.204 20 0 BDADRP CN(CC[C@@H]1CCC[N@@H+]1C)Cc1ccccn1 ZINC000295253400 385999014 /nfs/dbraw/zinc/99/90/14/385999014.db2.gz ZILUBEVBFJYJPF-AWEZNQCLSA-N 2 0 233.359 1.998 20 0 BDADRP C[C@@H]1OCC[C@H]1[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414973967 386000059 /nfs/dbraw/zinc/00/00/59/386000059.db2.gz NGAGHXYQFRRNFJ-SDDRHHMPSA-N 2 0 212.337 1.286 20 0 BDADRP CN(CC[NH+]1CCCC1)C[C@H]1CCC[N@@H+]1C ZINC000643256095 386000667 /nfs/dbraw/zinc/00/06/67/386000667.db2.gz QZVAOMCRCBKOIX-CYBMUJFWSA-N 2 0 225.380 1.108 20 0 BDADRP COC1(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)CCCC1 ZINC000309504240 386013421 /nfs/dbraw/zinc/01/34/21/386013421.db2.gz MOAJWTLPQBCLRA-NWDGAFQWSA-N 2 0 226.364 1.615 20 0 BDADRP CCc1ncc(C[NH2+][C@H](C)CC[NH3+])s1 ZINC000414882671 386017058 /nfs/dbraw/zinc/01/70/58/386017058.db2.gz MIJQEDLNTQWLII-MRVPVSSYSA-N 2 0 213.350 1.532 20 0 BDADRP C[N@H+](C[C@@H](O)C[NH3+])C[C@@H]1CCCC(F)(F)C1 ZINC000336753425 386024339 /nfs/dbraw/zinc/02/43/39/386024339.db2.gz WHUOGMQLKARIIQ-ZJUUUORDSA-N 2 0 236.306 1.063 20 0 BDADRP [NH3+][C@@H]1CCN(CCCCC(F)(F)F)C1 ZINC000124391072 386029068 /nfs/dbraw/zinc/02/90/68/386029068.db2.gz WRXDVZMAPQNQKQ-MRVPVSSYSA-N 2 0 210.243 1.752 20 0 BDADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)CCC(C)(C)[NH3+] ZINC000647868552 386030822 /nfs/dbraw/zinc/03/08/22/386030822.db2.gz VIQJPNPWIFJSLX-NSHDSACASA-N 2 0 243.395 1.336 20 0 BDADRP CO[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000336771260 386034169 /nfs/dbraw/zinc/03/41/69/386034169.db2.gz UIJJVTLSECFQRQ-ZDEQEGDKSA-N 2 0 226.364 1.484 20 0 BDADRP CCc1nocc1CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000334428181 386037568 /nfs/dbraw/zinc/03/75/68/386037568.db2.gz XWNUXDOMUSRHCI-PHIMTYICSA-N 2 0 235.331 1.230 20 0 BDADRP C[C@H](C[NH3+])CN[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000414884079 386043696 /nfs/dbraw/zinc/04/36/96/386043696.db2.gz VLYHTYPGATWAOW-SNPRPXQTSA-N 2 0 247.386 1.664 20 0 BDADRP CCN1C[C@H](C)[C@H]([NH2+]C[C@@H]2C[C@@H](C)O[C@H]2C)C1 ZINC000414251479 386057608 /nfs/dbraw/zinc/05/76/08/386057608.db2.gz ACMGCYDTSLWGNA-ZUWCUPBKSA-N 2 0 240.391 1.730 20 0 BDADRP CCSCC[C@H](C)[N@H+](C)CCOCC[NH3+] ZINC000336749562 385996395 /nfs/dbraw/zinc/99/63/95/385996395.db2.gz UDQNAJZDSKRKKT-NSHDSACASA-N 2 0 234.409 1.425 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)CC[NH2+]1 ZINC000414664087 386105851 /nfs/dbraw/zinc/10/58/51/386105851.db2.gz SYMOOAKSTVIFGQ-LOWDOPEQSA-N 2 0 225.380 1.044 20 0 BDADRP C[C@H]1CCCN(CC[NH2+]C(C)(C)C)[C@@H]1C[NH3+] ZINC000414665183 386109561 /nfs/dbraw/zinc/10/95/61/386109561.db2.gz USASTVRFVOEELR-NWDGAFQWSA-N 2 0 227.396 1.434 20 0 BDADRP C[C@H](CC1CCOCC1)[NH2+]CC1([NH3+])CCC1 ZINC000414885163 386058212 /nfs/dbraw/zinc/05/82/12/386058212.db2.gz WOWJCPDPXBOZCR-LLVKDONJSA-N 2 0 226.364 1.663 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H](C)Cc1ccccc1OC ZINC000414982261 386065963 /nfs/dbraw/zinc/06/59/63/386065963.db2.gz CNTFSNPUYVRCGS-AAEUAGOBSA-N 2 0 236.359 1.953 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@H](COC)CC(C)C ZINC000414981378 386065987 /nfs/dbraw/zinc/06/59/87/386065987.db2.gz BLNHQCNIMNQSPX-QWRGUYRKSA-N 2 0 202.342 1.374 20 0 BDADRP C[C@H]1C[C@@H](CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC000414652656 386076184 /nfs/dbraw/zinc/07/61/84/386076184.db2.gz DQNVBGDMMDFUER-FQUUOJAGSA-N 3 0 237.391 1.201 20 0 BDADRP [NH3+][C@@H](C[NH2+][C@H]1CCc2ccccc2C1)C1CC1 ZINC000414886731 386077016 /nfs/dbraw/zinc/07/70/16/386077016.db2.gz HWBPSLPCLJOUHF-GJZGRUSLSA-N 2 0 230.355 1.871 20 0 BDADRP C[C@H](CC[NH+](C)C)NCc1cc(O)cc(F)c1 ZINC000223121404 386077842 /nfs/dbraw/zinc/07/78/42/386077842.db2.gz JWKVENLXQBTRII-SNVBAGLBSA-N 2 0 240.322 1.961 20 0 BDADRP [NH3+][C@H](C[NH2+][C@H]1CCc2ccccc2C1)C1CC1 ZINC000414886740 386078469 /nfs/dbraw/zinc/07/84/69/386078469.db2.gz HWBPSLPCLJOUHF-LSDHHAIUSA-N 2 0 230.355 1.871 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[NH2+][C@H](C)[C@@H]1C ZINC000414654995 386079298 /nfs/dbraw/zinc/07/92/98/386079298.db2.gz CRDXJQGPQADOOE-WOPDTQHZSA-N 2 0 213.369 1.042 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414660318 386091395 /nfs/dbraw/zinc/09/13/95/386091395.db2.gz MPJQHDPHTXRTCH-XQQFMLRXSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H]1CN(CC[NH2+]C(C)(C)C)CC[C@@H]1[NH3+] ZINC000414659925 386091581 /nfs/dbraw/zinc/09/15/81/386091581.db2.gz NQVGFGDBIDFVHC-MNOVXSKESA-N 2 0 213.369 1.044 20 0 BDADRP CC(C)(C)[NH+]1CCC(NC[C@@H]([NH3+])C2CC2)CC1 ZINC000414887823 386093893 /nfs/dbraw/zinc/09/38/93/386093893.db2.gz IZWPAIWIBLJPTP-CYBMUJFWSA-N 2 0 239.407 1.576 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000414662235 386099714 /nfs/dbraw/zinc/09/97/14/386099714.db2.gz QRKVHUGOXHQXJQ-XQQFMLRXSA-N 2 0 227.396 1.419 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CC[NH2+]C1 ZINC000414893215 386151560 /nfs/dbraw/zinc/15/15/60/386151560.db2.gz YSQLWJCGNZOSCU-FRRDWIJNSA-N 2 0 225.380 1.249 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000414991958 386152270 /nfs/dbraw/zinc/15/22/70/386152270.db2.gz BIGLPLKCRJFXST-AVGNSLFASA-N 3 0 227.396 1.467 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000414992038 386154057 /nfs/dbraw/zinc/15/40/57/386154057.db2.gz QXIXVFXGJNLQOF-SRVKXCTJSA-N 2 0 214.353 1.517 20 0 BDADRP CCCN(C[C@H]([NH3+])CC(C)C)[C@@H]1CC[NH2+]C1 ZINC000414675818 386154953 /nfs/dbraw/zinc/15/49/53/386154953.db2.gz RVWPUBYCSMOFGQ-CHWSQXEVSA-N 2 0 227.396 1.434 20 0 BDADRP COCCNCC[NH2+][C@H]1CCc2ccccc2C1 ZINC000414893373 386160952 /nfs/dbraw/zinc/16/09/52/386160952.db2.gz YEWVRLSMOYTNDX-HNNXBMFYSA-N 2 0 248.370 1.370 20 0 BDADRP CC[C@@H](C(=O)N(CC)CCC[NH+](C)C)[NH+](C)C ZINC000338893700 386169693 /nfs/dbraw/zinc/16/96/93/386169693.db2.gz YBEOFIOCALYKEU-LBPRGKRZSA-N 2 0 243.395 1.127 20 0 BDADRP C[C@H](CC[NH3+])[NH2+]Cc1cccc2c[nH]nc21 ZINC000414894624 386175792 /nfs/dbraw/zinc/17/57/92/386175792.db2.gz ZSGLZVASKPDKRZ-SECBINFHSA-N 2 0 218.304 1.390 20 0 BDADRP CC[C@H](O)C[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000338912215 386176041 /nfs/dbraw/zinc/17/60/41/386176041.db2.gz OGCQTDVZBVUYRB-AWEZNQCLSA-N 2 0 242.407 1.811 20 0 BDADRP CCCCOCC[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000164647012 386176076 /nfs/dbraw/zinc/17/60/76/386176076.db2.gz ZVCAIADUJZJGST-CHWSQXEVSA-N 2 0 228.380 1.720 20 0 BDADRP CC[C@@H]([NH3+])CNCc1cc(O)cc(F)c1 ZINC000414995592 386177589 /nfs/dbraw/zinc/17/75/89/386177589.db2.gz WGGHVSSFYZUNES-SNVBAGLBSA-N 2 0 212.268 1.358 20 0 BDADRP C[C@H]1C[C@H](C[N@H+](C)CCn2cccn2)CC[NH2+]1 ZINC000414692177 386181659 /nfs/dbraw/zinc/18/16/59/386181659.db2.gz KFEIQNRJJRTTAH-QWHCGFSZSA-N 2 0 236.363 1.203 20 0 BDADRP C[C@H](O)C[C@@H]1CCC[N@@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414692615 386182729 /nfs/dbraw/zinc/18/27/29/386182729.db2.gz CUVDJJIYGQDXOP-XUXIUFHCSA-N 2 0 240.391 1.610 20 0 BDADRP [NH3+]CCC[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000414693192 386187670 /nfs/dbraw/zinc/18/76/70/386187670.db2.gz LHQDYSQJLCGKSH-GFCCVEGCSA-N 2 0 222.307 1.964 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)OC)[C@H](C)C1 ZINC000188119165 386188745 /nfs/dbraw/zinc/18/87/45/386188745.db2.gz MVYMPXPVNGPWEO-UTUOFQBUSA-N 2 0 214.353 1.341 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)CCC(C)(C)[NH3+] ZINC000647874469 386139912 /nfs/dbraw/zinc/13/99/12/386139912.db2.gz YUIQWVGORMOYDB-JTQLQIEISA-N 2 0 229.368 1.138 20 0 BDADRP C[C@@H]1CN(c2ncnc3[nH]ccc32)C[C@@H](C)[NH+]1C ZINC000338785979 386140277 /nfs/dbraw/zinc/14/02/77/386140277.db2.gz CRSHEXFMDXCVEZ-NXEZZACHSA-N 2 0 245.330 1.487 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CCN2CC[NH2+]CC2)C[C@H]1C ZINC000414891751 386141940 /nfs/dbraw/zinc/14/19/40/386141940.db2.gz WXZKBPIPCGECTA-MGPQQGTHSA-N 2 0 239.407 1.306 20 0 BDADRP CC[C@H]([NH3+])C[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000414990108 386142047 /nfs/dbraw/zinc/14/20/47/386142047.db2.gz OSENLSHZAYMIJR-AWEZNQCLSA-N 2 0 248.370 1.881 20 0 BDADRP [NH3+]CCC[N@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000414697716 386201005 /nfs/dbraw/zinc/20/10/05/386201005.db2.gz QCRHTURCNKJJAT-OAHLLOKOSA-N 2 0 248.370 1.707 20 0 BDADRP CCO[C@@H]1C[C@@H]([N@H+](C)CCC[NH3+])C1(C)C ZINC000414697220 386202119 /nfs/dbraw/zinc/20/21/19/386202119.db2.gz IGYCNKWIUHCCRJ-GHMZBOCLSA-N 2 0 214.353 1.471 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@H+](CCOCC2CC2)C1 ZINC000430619604 386203829 /nfs/dbraw/zinc/20/38/29/386203829.db2.gz ABAAYGUYBJZPOK-CYBMUJFWSA-N 2 0 226.364 1.344 20 0 BDADRP CS[C@H]1CCCC[N@H+](CCC[NH3+])C1 ZINC000414699754 386205838 /nfs/dbraw/zinc/20/58/38/386205838.db2.gz FJMNTHFANUMNAJ-JTQLQIEISA-N 2 0 202.367 1.553 20 0 BDADRP C[C@@]1(C[NH2+]Cc2ccncc2)CCC[NH2+]C1 ZINC000414897059 386209000 /nfs/dbraw/zinc/20/90/00/386209000.db2.gz DASNTQQISMARAK-CYBMUJFWSA-N 2 0 219.332 1.561 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCSC1 ZINC000414998972 386209431 /nfs/dbraw/zinc/20/94/31/386209431.db2.gz RGHHPVOPLGEORW-JGGZEWDASA-N 2 0 240.416 1.845 20 0 BDADRP CC[N@H+](C)C[C@@H]1CCN(CC[NH2+]C(C)(C)C)C1 ZINC000414703296 386209668 /nfs/dbraw/zinc/20/96/68/386209668.db2.gz JMJPXDRIDAUQEM-ZDUSSCGKSA-N 2 0 241.423 1.648 20 0 BDADRP CC(C)[N@H+](C[C@H](C)O)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414702894 386210644 /nfs/dbraw/zinc/21/06/44/386210644.db2.gz VLDSVXYJOGXELS-AVGNSLFASA-N 2 0 228.380 1.466 20 0 BDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000343190325 386216214 /nfs/dbraw/zinc/21/62/14/386216214.db2.gz DQGVDMRAXZQENV-BNOWGMLFSA-N 2 0 246.354 1.530 20 0 BDADRP COC(=O)C[N@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)C1CC1 ZINC000414706276 386218750 /nfs/dbraw/zinc/21/87/50/386218750.db2.gz LKAQPSNMAZRHPK-WDEREUQCSA-N 2 0 240.347 1.012 20 0 BDADRP COC(=O)[C@H](C)C[N@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414709761 386224016 /nfs/dbraw/zinc/22/40/16/386224016.db2.gz RSYWBFLFOLDZAF-GRYCIOLGSA-N 2 0 242.363 1.115 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+]CC[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000414898458 386229461 /nfs/dbraw/zinc/22/94/61/386229461.db2.gz AKRQYVVYJOMHGB-FRRDWIJNSA-N 3 0 225.380 1.106 20 0 BDADRP CCn1cc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000415002692 386241448 /nfs/dbraw/zinc/24/14/48/386241448.db2.gz WFBJCRSFGDRSSS-YPMHNXCESA-N 2 0 236.363 1.510 20 0 BDADRP Cc1ccncc1C[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000415002812 386248267 /nfs/dbraw/zinc/24/82/67/386248267.db2.gz MMOVOKVKSONJHD-JSGCOSHPSA-N 2 0 233.359 1.997 20 0 BDADRP COc1ccccc1C[C@H](C)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414895759 386192557 /nfs/dbraw/zinc/19/25/57/386192557.db2.gz ZIHUCSRHJOKJFJ-SMDDNHRTSA-N 2 0 248.370 1.953 20 0 BDADRP CC[N@H+](CCC(=O)OC)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414695460 386192668 /nfs/dbraw/zinc/19/26/68/386192668.db2.gz UUQPYIUSICERFR-NWDGAFQWSA-N 2 0 242.363 1.260 20 0 BDADRP COc1ccccc1C[C@@H](C)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414895756 386194502 /nfs/dbraw/zinc/19/45/02/386194502.db2.gz ZIHUCSRHJOKJFJ-BXUZGUMPSA-N 2 0 248.370 1.953 20 0 BDADRP CSC[C@H]1CCC[N@@H+]1CCc1cncn1C ZINC000297879977 386283384 /nfs/dbraw/zinc/28/33/84/386283384.db2.gz QGWKLKSNHPRIDY-GFCCVEGCSA-N 2 0 239.388 1.790 20 0 BDADRP CC[NH+]1CCC(NCC[C@H]2CCC[NH2+]2)CC1 ZINC000414901023 386295355 /nfs/dbraw/zinc/29/53/55/386295355.db2.gz FMAAVVYRQHIMRT-GFCCVEGCSA-N 2 0 225.380 1.202 20 0 BDADRP Cc1nn(C)cc1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415005600 386298189 /nfs/dbraw/zinc/29/81/89/386298189.db2.gz JGFBXPLBRDPXFR-UONOGXRCSA-N 2 0 248.374 1.206 20 0 BDADRP COC1CC([NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000347304593 386308534 /nfs/dbraw/zinc/30/85/34/386308534.db2.gz DJOUNMDALBRJRU-HSBZDZAISA-N 2 0 240.391 1.874 20 0 BDADRP CC[N@H+](CCCO)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414737724 386313634 /nfs/dbraw/zinc/31/36/34/386313634.db2.gz HPPKHCAIYBPMJJ-RYUDHWBXSA-N 2 0 214.353 1.079 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCOCC23CCC3)CC[NH2+]1 ZINC000335260611 386318295 /nfs/dbraw/zinc/31/82/95/386318295.db2.gz ZKUXYCNXZXDZAQ-CHWSQXEVSA-N 2 0 238.375 1.629 20 0 BDADRP CC[N@H+](C)Cc1cccc(CNC(=O)CC[NH3+])c1 ZINC000236875467 386319346 /nfs/dbraw/zinc/31/93/46/386319346.db2.gz TVAHXLXFHQSOKK-UHFFFAOYSA-N 2 0 249.358 1.103 20 0 BDADRP C[C@@H]1CN(CC[NH2+]C(C)(C)C)[C@@H](C)C[N@@H+]1C ZINC000414739142 386321231 /nfs/dbraw/zinc/32/12/31/386321231.db2.gz JYBMTERMIWWGRV-NEPJUHHUSA-N 2 0 227.396 1.399 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCC2CC[NH+](C)CC2)CO1 ZINC000401908125 386323544 /nfs/dbraw/zinc/32/35/44/386323544.db2.gz VBFUSWNICUXGPH-WCQYABFASA-N 2 0 226.364 1.485 20 0 BDADRP COC1CCC([N@H+](C)C[C@H]2CC[NH2+]C2)CC1 ZINC000647885672 386279066 /nfs/dbraw/zinc/27/90/66/386279066.db2.gz CUQJJLSUBOHVEW-HIFPTAJRSA-N 2 0 226.364 1.485 20 0 BDADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CC[C@H](C)O)C1 ZINC000336661827 386280029 /nfs/dbraw/zinc/28/00/29/386280029.db2.gz CGDXQDQZKPBSQT-STQMWFEESA-N 2 0 228.380 1.421 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000414744857 386341999 /nfs/dbraw/zinc/34/19/99/386341999.db2.gz QHKWDNZGWMOVIU-UONOGXRCSA-N 2 0 241.423 1.632 20 0 BDADRP C([C@H]1CC[NH2+]C1)[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000647888186 386342493 /nfs/dbraw/zinc/34/24/93/386342493.db2.gz YBGXHYDCAGNJES-KBPBESRZSA-N 2 0 238.375 1.489 20 0 BDADRP C[NH+](C)CCSC[C@H]1CC[N@H+](C)C1 ZINC000191174130 386386367 /nfs/dbraw/zinc/38/63/67/386386367.db2.gz MZCAZRGIZDKWHM-JTQLQIEISA-N 2 0 202.367 1.233 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+](C)CCCCCO)CC[NH2+]1 ZINC000414745579 386350898 /nfs/dbraw/zinc/35/08/98/386350898.db2.gz PMGALBBFCDOWLC-CHWSQXEVSA-N 2 0 228.380 1.469 20 0 BDADRP CCn1nc(C[NH2+]CCCC[NH3+])c2ccccc21 ZINC000414905281 386355924 /nfs/dbraw/zinc/35/59/24/386355924.db2.gz NVIQBLAILYKUDI-UHFFFAOYSA-N 2 0 246.358 1.885 20 0 BDADRP c1ccc2c(c1)CC([NH2+]CC[C@H]1CCC[NH2+]1)C2 ZINC000414905150 386356196 /nfs/dbraw/zinc/35/61/96/386356196.db2.gz MZKYMDPZGSHGPU-CQSZACIVSA-N 2 0 230.355 1.886 20 0 BDADRP CN(C)c1ccccc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414905300 386356247 /nfs/dbraw/zinc/35/62/47/386356247.db2.gz NMJTXOQAUNRSSK-CQSZACIVSA-N 2 0 247.386 1.984 20 0 BDADRP CC[C@]1(CO)CCC[N@@H+]1C[C@H]([NH3+])CC(C)C ZINC000414748263 386360547 /nfs/dbraw/zinc/36/05/47/386360547.db2.gz WMSZJUAFTFGPQP-CHWSQXEVSA-N 2 0 228.380 1.597 20 0 BDADRP C[C@@H]1[C@@H](CO)CC[N@@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414749997 386370068 /nfs/dbraw/zinc/37/00/68/386370068.db2.gz ZEBYDMYOBOWKOP-FDYHWXHSSA-N 2 0 226.364 1.077 20 0 BDADRP CC[C@@H](C(=O)Nc1ccccc1C[NH2+]C)[NH+](C)C ZINC000637808273 386372806 /nfs/dbraw/zinc/37/28/06/386372806.db2.gz YWHHDSKVVMYOFW-ZDUSSCGKSA-N 2 0 249.358 1.685 20 0 BDADRP CCn1nccc1C[NH2+][C@H](C)CCCC[NH3+] ZINC000415008173 386375266 /nfs/dbraw/zinc/37/52/66/386375266.db2.gz CLHYSDQPEAORGS-LLVKDONJSA-N 2 0 224.352 1.510 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CCCC[NH+](C)C)[C@@H](C)C1 ZINC000347383626 386377109 /nfs/dbraw/zinc/37/71/09/386377109.db2.gz YMWFZWBWTIOUBQ-KBPBESRZSA-N 3 0 241.423 1.648 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414903196 386334602 /nfs/dbraw/zinc/33/46/02/386334602.db2.gz LOJKXGRFJUAUNX-GFCCVEGCSA-N 3 0 227.396 1.339 20 0 BDADRP c1ccc([C@@H]2C[NH2+]CCN2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647992614 386446765 /nfs/dbraw/zinc/44/67/65/386446765.db2.gz RZWDVTNVNKMEIY-HIFRSBDPSA-N 2 0 245.370 1.242 20 0 BDADRP COCC(C)(C)C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414908273 386388179 /nfs/dbraw/zinc/38/81/79/386388179.db2.gz QSDAHKKDXMJGGU-UHFFFAOYSA-N 2 0 228.380 1.638 20 0 BDADRP C(C[C@H]1CCC[NH2+]1)[NH2+]C1CCSCC1 ZINC000414907699 386393198 /nfs/dbraw/zinc/39/31/98/386393198.db2.gz QWTCXQDCFKBWTL-SNVBAGLBSA-N 2 0 214.378 1.614 20 0 BDADRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](O)C(C)C)C1 ZINC000336700646 386400722 /nfs/dbraw/zinc/40/07/22/386400722.db2.gz KNJOMLOCDKGBTK-KGLIPLIRSA-N 2 0 242.407 1.667 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+](C)CC[C@@H]2CCCO2)CC[NH2+]1 ZINC000414759966 386413055 /nfs/dbraw/zinc/41/30/55/386413055.db2.gz PMEINXCSWQWPLN-MCIONIFRSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1ccc(CCC[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cn1 ZINC000339408676 386413842 /nfs/dbraw/zinc/41/38/42/386413842.db2.gz URZQKDOIPLBCKI-DZGCQCFKSA-N 2 0 247.386 1.992 20 0 BDADRP COc1cc(C)nc(C[NH2+]CCCC[NH3+])c1 ZINC000414909429 386415710 /nfs/dbraw/zinc/41/57/10/386415710.db2.gz REXMPVNQWLIRGW-UHFFFAOYSA-N 2 0 223.320 1.227 20 0 BDADRP NC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000414909733 386416956 /nfs/dbraw/zinc/41/69/56/386416956.db2.gz CJHGSWGZPZDECA-QWHCGFSZSA-N 2 0 247.342 1.145 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414762236 386418078 /nfs/dbraw/zinc/41/80/78/386418078.db2.gz ACOROBKKOPCSOO-MJBXVCDLSA-N 2 0 239.407 1.291 20 0 BDADRP CCOCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339429235 386421336 /nfs/dbraw/zinc/42/13/36/386421336.db2.gz QRLOQQYHIRICFZ-ZDUSSCGKSA-N 2 0 226.364 1.441 20 0 BDADRP Cc1c(C[NH+]2CCC([C@@H](C)[NH3+])CC2)cnn1C ZINC000093651367 386433201 /nfs/dbraw/zinc/43/32/01/386433201.db2.gz KXROHTIINLSYIQ-SNVBAGLBSA-N 2 0 236.363 1.288 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](C[C@H]2CCCOC2)C[C@@H]1C[NH3+] ZINC000397312739 386435383 /nfs/dbraw/zinc/43/53/83/386435383.db2.gz PKKOKHACEFXEJF-RQJABVFESA-N 2 0 240.391 1.718 20 0 BDADRP Cc1ncccc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000414787899 386528615 /nfs/dbraw/zinc/52/86/15/386528615.db2.gz CWPFVIUKOZLCHJ-WCQYABFASA-N 2 0 219.332 1.607 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000335426090 386478975 /nfs/dbraw/zinc/47/89/75/386478975.db2.gz YBDPNDGXXKDWEA-OLZOCXBDSA-N 2 0 224.348 1.097 20 0 BDADRP C[C@@H]1C[C@H]1C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414780336 386494469 /nfs/dbraw/zinc/49/44/69/386494469.db2.gz LIKUCWYIHKKDKM-FRRDWIJNSA-N 2 0 238.375 1.330 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415013317 386496105 /nfs/dbraw/zinc/49/61/05/386496105.db2.gz URVYTAWCLBWJDI-HZSPNIEDSA-N 3 0 239.407 1.338 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415013319 386496421 /nfs/dbraw/zinc/49/64/21/386496421.db2.gz URVYTAWCLBWJDI-MELADBBJSA-N 3 0 239.407 1.338 20 0 BDADRP C[C@@H](Cn1cccn1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415015768 386499626 /nfs/dbraw/zinc/49/96/26/386499626.db2.gz ZIJAXSWVRCUFCK-FPMFFAJLSA-N 2 0 248.374 1.249 20 0 BDADRP C[C@H]1C[C@H]1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415015748 386500988 /nfs/dbraw/zinc/50/09/88/386500988.db2.gz ZFBIQBHIISJZMI-XYJRDEOASA-N 2 0 208.349 1.620 20 0 BDADRP CCCc1csc(CN[C@@H](C)[C@@H](C)[NH3+])n1 ZINC000415016740 386502850 /nfs/dbraw/zinc/50/28/50/386502850.db2.gz OQLJPMLDOMZIAZ-BDAKNGLRSA-N 2 0 227.377 1.921 20 0 BDADRP CCC[C@H](N)c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000340659184 386503483 /nfs/dbraw/zinc/50/34/83/386503483.db2.gz OURQPPVSCWQVKF-NSHDSACASA-N 2 0 246.314 1.995 20 0 BDADRP CCc1ncc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)s1 ZINC000415050299 386505712 /nfs/dbraw/zinc/50/57/12/386505712.db2.gz YKBDFGHFPDSTMF-ZJUUUORDSA-N 2 0 239.388 1.923 20 0 BDADRP Cc1nccn1CC[NH2+]Cc1ccc(F)nc1C ZINC000278278205 386507449 /nfs/dbraw/zinc/50/74/49/386507449.db2.gz ADMSAJUOXXGQRO-UHFFFAOYSA-N 2 0 248.305 1.824 20 0 BDADRP COC(=O)c1ccc(C[NH2+][C@H](C)CCC[NH3+])o1 ZINC000415020255 386508543 /nfs/dbraw/zinc/50/85/43/386508543.db2.gz JLNGVGPJNKEZGW-SECBINFHSA-N 2 0 240.303 1.283 20 0 BDADRP CCCC[C@H](COC)[NH2+][C@@H](C)[C@@H](C)[NH3+] ZINC000415019640 386509433 /nfs/dbraw/zinc/50/94/33/386509433.db2.gz SDLYDACYYRATEA-OUAUKWLOSA-N 2 0 202.342 1.517 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415021365 386511692 /nfs/dbraw/zinc/51/16/92/386511692.db2.gz YJXWNTHTOWULHV-JHJVBQTASA-N 3 0 227.396 1.482 20 0 BDADRP COc1ccc(C[NH2+][C@@H](C)CCC[NH3+])cc1O ZINC000415025994 386513158 /nfs/dbraw/zinc/51/31/58/386513158.db2.gz SJKCOSABKMIVKB-JTQLQIEISA-N 2 0 238.331 1.618 20 0 BDADRP CC(C)Cn1cc(C[NH2+][C@@H](C)CCC[NH3+])cn1 ZINC000415024358 386514447 /nfs/dbraw/zinc/51/44/47/386514447.db2.gz OUFQSYKBCLXSLY-LBPRGKRZSA-N 2 0 238.379 1.756 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc2c(c1)ncn2C ZINC000415027996 386516374 /nfs/dbraw/zinc/51/63/74/386516374.db2.gz XQNKHSHSLOSLOI-NSHDSACASA-N 2 0 246.358 1.790 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+](C)C2CC[NH2+]CC2)CC[NH2+]1 ZINC000335448075 386516475 /nfs/dbraw/zinc/51/64/75/386516475.db2.gz LRWFAAXFMMVHGU-VXGBXAGGSA-N 2 0 225.380 1.058 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)[C@H](C)C1 ZINC000415029182 386517255 /nfs/dbraw/zinc/51/72/55/386517255.db2.gz DMGFGSBGALVZHW-SYQHCUMBSA-N 3 0 239.407 1.434 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C[C@@H]1C ZINC000415030615 386519501 /nfs/dbraw/zinc/51/95/01/386519501.db2.gz CSBSBZFMPXPUNB-RFGFWPKPSA-N 2 0 240.391 1.779 20 0 BDADRP CC(C)CC[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415033173 386521107 /nfs/dbraw/zinc/52/11/07/386521107.db2.gz GQIIZVIDJNEAJK-STQMWFEESA-N 2 0 228.380 1.779 20 0 BDADRP C([NH2+][C@@H]1CCC[C@H]1C1CC1)[C@H]1C[NH2+]CCCO1 ZINC000415034830 386522139 /nfs/dbraw/zinc/52/21/39/386522139.db2.gz IECFDTBYURULQZ-HZSPNIEDSA-N 2 0 238.375 1.533 20 0 BDADRP C1CC([C@@H]2CC[C@@H]2[NH2+]C2CC[NH2+]CC2)C1 ZINC000335452327 386526957 /nfs/dbraw/zinc/52/69/57/386526957.db2.gz OIMYWUVDHXPNIV-STQMWFEESA-N 2 0 208.349 1.907 20 0 BDADRP COC1CCC([NH2+]CC2(C)CC[NH2+]CC2)CC1 ZINC000414911486 386461372 /nfs/dbraw/zinc/46/13/72/386461372.db2.gz UEQPMMXVLCEGDY-UHFFFAOYSA-N 2 0 240.391 1.923 20 0 BDADRP CS[C@@H]1CC[C@@H]1[NH2+][C@@H](C)CC[NH+](C)C ZINC000336644456 386586586 /nfs/dbraw/zinc/58/65/86/386586586.db2.gz ALOSZZNCZVNSNL-GARJFASQSA-N 2 0 216.394 1.810 20 0 BDADRP CO[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000415082783 386593939 /nfs/dbraw/zinc/59/39/39/386593939.db2.gz OVSGBMRNQBIJDA-FVCCEPFGSA-N 2 0 226.364 1.532 20 0 BDADRP CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000415082791 386594017 /nfs/dbraw/zinc/59/40/17/386594017.db2.gz OVSGBMRNQBIJDA-ZDEQEGDKSA-N 2 0 226.364 1.532 20 0 BDADRP CC[N@@H+]1CCCC[C@H]1CNC[C@H]1CCC[NH2+]C1 ZINC000415083285 386594881 /nfs/dbraw/zinc/59/48/81/386594881.db2.gz PQMJGMSTQHUKGS-KBPBESRZSA-N 2 0 239.407 1.450 20 0 BDADRP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)[C@@H]1CCCO1 ZINC000336644709 386595307 /nfs/dbraw/zinc/59/53/07/386595307.db2.gz CMQNKFNDYFPBAI-NEPJUHHUSA-N 2 0 228.380 1.731 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000519698028 386530985 /nfs/dbraw/zinc/53/09/85/386530985.db2.gz AHOUYIMUKVHDDQ-STQMWFEESA-N 3 0 225.380 1.188 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN[C@@H]1CC[NH2+]C1(C)C ZINC000415044621 386531489 /nfs/dbraw/zinc/53/14/89/386531489.db2.gz SMJLTUAJAXJSRD-GHMZBOCLSA-N 2 0 213.369 1.090 20 0 BDADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccc3c[nH]nc3c2)C1 ZINC000415045922 386532501 /nfs/dbraw/zinc/53/25/01/386532501.db2.gz UQXGHLDUKGEOIE-GXFFZTMASA-N 2 0 244.342 1.780 20 0 BDADRP C[C@]1(CN2CC[NH+](CC3CC3)CC2)CC[NH2+]C1 ZINC000062911729 386532917 /nfs/dbraw/zinc/53/29/17/386532917.db2.gz WUVVEIQQPITVNI-AWEZNQCLSA-N 2 0 237.391 1.014 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415047079 386534553 /nfs/dbraw/zinc/53/45/53/386534553.db2.gz AFEOQYYJQLYNQL-AAVRWANBSA-N 2 0 239.407 1.434 20 0 BDADRP Cc1ccc(CN(C[C@H](C)[NH3+])CC2CC2)cn1 ZINC000647995388 386537959 /nfs/dbraw/zinc/53/79/59/386537959.db2.gz TUUZYEBXICFOQI-NSHDSACASA-N 2 0 233.359 1.949 20 0 BDADRP C[C@@H]1CCC[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H]1C ZINC000415061945 386541478 /nfs/dbraw/zinc/54/14/78/386541478.db2.gz LUAPEEWCPHQXMW-HKLHZYFVSA-N 2 0 208.349 1.619 20 0 BDADRP COC(=O)C(C)(C)CCN[C@@H]1CCCC[NH2+]C1 ZINC000415070699 386542298 /nfs/dbraw/zinc/54/22/98/386542298.db2.gz JBILZPFMZFQMJM-LLVKDONJSA-N 2 0 242.363 1.307 20 0 BDADRP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[NH2+]C2)CCO1 ZINC000415063608 386544012 /nfs/dbraw/zinc/54/40/12/386544012.db2.gz APTAPZLXWAAQRJ-MJBXVCDLSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H]1C[C@H](C[NH2+]CCC[NH2+]C2CC2)CC[NH2+]1 ZINC000415067346 386547353 /nfs/dbraw/zinc/54/73/53/386547353.db2.gz KRNROWAETFWZKL-NWDGAFQWSA-N 3 0 225.380 1.106 20 0 BDADRP C([C@H]1CC[NH2+]C1)[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000647995244 386547639 /nfs/dbraw/zinc/54/76/39/386547639.db2.gz IZWXZKPPCASQOD-BFHYXJOUSA-N 2 0 238.375 1.487 20 0 BDADRP C([NH2+][C@@H]1CCCC12CCCC2)C1C[NH2+]C1 ZINC000335463734 386548295 /nfs/dbraw/zinc/54/82/95/386548295.db2.gz ZFPCMVBNCMNGRB-GFCCVEGCSA-N 2 0 208.349 1.908 20 0 BDADRP C[N@H+](C[C@H](O)C[NH3+])C[C@@H]1C[C@H]1c1ccccc1 ZINC000415065391 386548733 /nfs/dbraw/zinc/54/87/33/386548733.db2.gz GBVHPRNXOATLCO-MJBXVCDLSA-N 2 0 234.343 1.042 20 0 BDADRP C[C@@H](C[C@H]1CCC[NH2+]1)NCCC[NH2+]C1CC1 ZINC000415065963 386549501 /nfs/dbraw/zinc/54/95/01/386549501.db2.gz IBRQMOHUHYVVSI-WCQYABFASA-N 2 0 225.380 1.249 20 0 BDADRP CO[C@H](C)CC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000308538038 386551357 /nfs/dbraw/zinc/55/13/57/386551357.db2.gz GSRJTRQJRYYWKB-OUAUKWLOSA-N 2 0 200.326 1.128 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCC2CC(O)C2)C1 ZINC000519762391 386551830 /nfs/dbraw/zinc/55/18/30/386551830.db2.gz AXPHYGUBFQLJIA-UPOSSJBDSA-N 2 0 212.337 1.007 20 0 BDADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000414793109 386565160 /nfs/dbraw/zinc/56/51/60/386565160.db2.gz JUENMMQTRWRMQH-UMSGYPCISA-N 2 0 238.375 1.517 20 0 BDADRP CCC([NH3+])(CC)CNCc1nc(C)ccc1O ZINC000414809687 386621939 /nfs/dbraw/zinc/62/19/39/386621939.db2.gz WAPNRLQSONNOSW-UHFFFAOYSA-N 2 0 237.347 1.703 20 0 BDADRP C([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CCC[NH2+]C1 ZINC000415103711 386625332 /nfs/dbraw/zinc/62/53/32/386625332.db2.gz CWLSWCRAZPMCMP-NDBYEHHHSA-N 2 0 208.349 1.764 20 0 BDADRP CC[NH+](CC)CCCNC[C@@]1(C)CC[NH2+]C1 ZINC000415116681 386629970 /nfs/dbraw/zinc/62/99/70/386629970.db2.gz UZERTPMOWGMMQJ-CYBMUJFWSA-N 2 0 227.396 1.308 20 0 BDADRP C[NH2+]CCC[N@H+](C)CCCc1ccc(C)nc1 ZINC000415119927 386632695 /nfs/dbraw/zinc/63/26/95/386632695.db2.gz FWAGBJPSRHZDAC-UHFFFAOYSA-N 2 0 235.375 1.864 20 0 BDADRP C[NH2+]CCCN(C)Cc1ccc2c(c1)nnn2C ZINC000415140721 386638344 /nfs/dbraw/zinc/63/83/44/386638344.db2.gz ZISZFRFKJVACGU-UHFFFAOYSA-N 2 0 247.346 1.010 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647906697 386639505 /nfs/dbraw/zinc/63/95/05/386639505.db2.gz MEWQTUUOAKIXCU-JSGCOSHPSA-N 3 0 239.407 1.435 20 0 BDADRP C[NH2+]CCCN(C)Cc1cccc(O)c1OC ZINC000415132682 386639585 /nfs/dbraw/zinc/63/95/85/386639585.db2.gz LNWSIPQYVDLHMQ-UHFFFAOYSA-N 2 0 238.331 1.442 20 0 BDADRP COCCN1CCC([NH2+]C[C@H]2CC23CC3)CC1 ZINC000417371337 386644057 /nfs/dbraw/zinc/64/40/57/386644057.db2.gz VJEPWOUCVBUMIK-GFCCVEGCSA-N 2 0 238.375 1.487 20 0 BDADRP C[NH+](C)C1CCC([NH2+]Cc2cocn2)CC1 ZINC000336782433 386644440 /nfs/dbraw/zinc/64/44/40/386644440.db2.gz XQBRAFYEBWSDMM-UHFFFAOYSA-N 2 0 223.320 1.637 20 0 BDADRP CCC([NH3+])(CC)C[NH2+][C@H](C)Cn1cccn1 ZINC000414815587 386648421 /nfs/dbraw/zinc/64/84/21/386648421.db2.gz XROHMQPZOGQSTF-LLVKDONJSA-N 2 0 224.352 1.379 20 0 BDADRP CCCC[C@H](C[NH3+])NC[C@H]([NH3+])CC(C)C ZINC000414815356 386649224 /nfs/dbraw/zinc/64/92/24/386649224.db2.gz PESPPQIJSKQEQF-VXGBXAGGSA-N 2 0 215.385 1.467 20 0 BDADRP C(C[NH2+]C1CCCCCC1)NC1CC[NH2+]CC1 ZINC000414815175 386650662 /nfs/dbraw/zinc/65/06/62/386650662.db2.gz SUHRNKBJDFKNBU-UHFFFAOYSA-N 2 0 239.407 1.640 20 0 BDADRP C[C@]1(C[NH2+]Cc2cccs2)CC[NH2+]C1 ZINC000062911361 386654436 /nfs/dbraw/zinc/65/44/36/386654436.db2.gz XAAGUDDLPRVIFP-NSHDSACASA-N 2 0 210.346 1.837 20 0 BDADRP CC(C)([NH3+])C[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000415086933 386604368 /nfs/dbraw/zinc/60/43/68/386604368.db2.gz VKFFVDDSCANCGE-GFCCVEGCSA-N 2 0 233.359 1.592 20 0 BDADRP CC(C)([NH3+])C[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000415086935 386605308 /nfs/dbraw/zinc/60/53/08/386605308.db2.gz VKFFVDDSCANCGE-LBPRGKRZSA-N 2 0 233.359 1.592 20 0 BDADRP CCCC[C@@H](C[NH3+])N[C@@H]1CCC[NH2+]CC1 ZINC000414805202 386612467 /nfs/dbraw/zinc/61/24/67/386612467.db2.gz AGFSWKJXBKOLAG-NEPJUHHUSA-N 2 0 213.369 1.236 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C[NH2+]C[C@]2(C)CC[NH2+]C2)cc1 ZINC000414807732 386613173 /nfs/dbraw/zinc/61/31/73/386613173.db2.gz CZQVBRXSRRNOPY-IUODEOHRSA-N 3 0 247.386 1.796 20 0 BDADRP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000428119844 386662344 /nfs/dbraw/zinc/66/23/44/386662344.db2.gz JJYALWSVTMZAJC-NEPJUHHUSA-N 2 0 241.379 1.057 20 0 BDADRP CC(C)Cn1cc(C[NH2+]CC[C@H](C)[NH3+])cn1 ZINC000414820239 386664686 /nfs/dbraw/zinc/66/46/86/386664686.db2.gz JJANKJGJYPSSPQ-NSHDSACASA-N 2 0 224.352 1.366 20 0 BDADRP C[C@@H](CC1CCOCC1)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414820080 386664922 /nfs/dbraw/zinc/66/49/22/386664922.db2.gz AFHVMFKJZVFHSZ-AAEUAGOBSA-N 2 0 226.364 1.533 20 0 BDADRP CN(CC1([NH+](C)C)CCC1)C[C@@]1(C)CC[NH2+]C1 ZINC000097937207 386669366 /nfs/dbraw/zinc/66/93/66/386669366.db2.gz NHEYIEJUXGPWPE-ZDUSSCGKSA-N 2 0 239.407 1.402 20 0 BDADRP [NH3+]C1(C[NH2+]CCCC2CC[NH2+]CC2)CCC1 ZINC000647907621 386680558 /nfs/dbraw/zinc/68/05/58/386680558.db2.gz MQDGEPAHZDLWJH-UHFFFAOYSA-N 3 0 225.380 1.237 20 0 BDADRP CC1(C)CCC[NH2+][C@H]1CNC[C@@H]1CCC[NH2+]C1 ZINC000414927230 386685078 /nfs/dbraw/zinc/68/50/78/386685078.db2.gz LUGDRSAQGCRCRZ-OLZOCXBDSA-N 2 0 239.407 1.354 20 0 BDADRP CC(C)(C)[NH2+]CCNC[C@H]([NH3+])c1ccccc1 ZINC000414827128 386687665 /nfs/dbraw/zinc/68/76/65/386687665.db2.gz GPJYTRGUGBNTKH-ZDUSSCGKSA-N 2 0 235.375 1.664 20 0 BDADRP Cc1ccc(O)c(C[NH2+]C[C@@H]2CCC[NH2+]C2)n1 ZINC000414828224 386698091 /nfs/dbraw/zinc/69/80/91/386698091.db2.gz LWUIQDVYNCCVHB-LLVKDONJSA-N 2 0 235.331 1.185 20 0 BDADRP COCc1cccc(C[NH2+]CC[C@H]2CC[NH2+]C2)c1 ZINC000414828633 386699573 /nfs/dbraw/zinc/69/95/73/386699573.db2.gz JCTMHIHUIPFJDB-CYBMUJFWSA-N 2 0 248.370 1.922 20 0 BDADRP C[NH2+]C[C@@H]1C[C@H](F)CN1CC[C@@H]1CCC[NH2+]C1 ZINC000647958686 386704473 /nfs/dbraw/zinc/70/44/73/386704473.db2.gz WECBWNYLXTYOPO-AVGNSLFASA-N 2 0 243.370 1.008 20 0 BDADRP CCn1nccc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000414928004 386706686 /nfs/dbraw/zinc/70/66/86/386706686.db2.gz PTJAOTONVNMBIA-MNOVXSKESA-N 2 0 222.336 1.263 20 0 BDADRP CC[NH+]1CCC(N[C@H](C[NH3+])CC(C)C)CC1 ZINC000414836264 386731156 /nfs/dbraw/zinc/73/11/56/386731156.db2.gz IIZLTIXIEARBHL-ZDUSSCGKSA-N 2 0 227.396 1.434 20 0 BDADRP C[C@H]1CC[NH2+]C[C@H]1NCc1ccc2c[nH+]cn2c1 ZINC000335536326 386739174 /nfs/dbraw/zinc/73/91/74/386739174.db2.gz PUNJJDNJWYFCFS-SMDDNHRTSA-N 2 0 244.342 1.422 20 0 BDADRP C[C@@]1(CNC[C@@H]2[NH2+]CCCC2(C)C)CC[NH2+]C1 ZINC000414928420 386715063 /nfs/dbraw/zinc/71/50/63/386715063.db2.gz NBSCGIJPNCBQEZ-GXTWGEPZSA-N 2 0 239.407 1.354 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000414832568 386716495 /nfs/dbraw/zinc/71/64/95/386716495.db2.gz FEMNKDLDPNNREA-WUHRBBMRSA-N 2 0 238.375 1.389 20 0 BDADRP CCOC[C@@H](C)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414834703 386723458 /nfs/dbraw/zinc/72/34/58/386723458.db2.gz QSMCMMUTPAQJQK-GHMZBOCLSA-N 2 0 200.326 1.001 20 0 BDADRP C[C@@H]1CC2(C[N@@H+]1CC1(C[NH3+])CC1)CC[NH2+]CC2 ZINC000335543086 386727070 /nfs/dbraw/zinc/72/70/70/386727070.db2.gz IEKQOJVKVDFWCJ-GFCCVEGCSA-N 3 0 237.391 1.189 20 0 BDADRP C[NH2+]C[C@@H](C)CNCc1cc(O)cc(F)c1 ZINC000414836552 386730293 /nfs/dbraw/zinc/73/02/93/386730293.db2.gz JOYHIAGIWZBPRI-SECBINFHSA-N 2 0 226.295 1.476 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647784484 386757783 /nfs/dbraw/zinc/75/77/83/386757783.db2.gz WJCCHWJFJZQDBH-MEBFFEOJSA-N 2 0 240.391 1.371 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414843952 386767580 /nfs/dbraw/zinc/76/75/80/386767580.db2.gz DALWGSVMGQWHOF-UPJWGTAASA-N 3 0 225.380 1.106 20 0 BDADRP C(C[C@H]1CCOC1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414839252 386741289 /nfs/dbraw/zinc/74/12/89/386741289.db2.gz MBZVJUFUSRAOLL-STQMWFEESA-N 2 0 226.364 1.392 20 0 BDADRP C[C@@H]1COCC[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000192128831 386743106 /nfs/dbraw/zinc/74/31/06/386743106.db2.gz YPCWGWGAJIWROK-ZIAGYGMSSA-N 2 0 240.391 1.877 20 0 BDADRP CC(C)[C@@](C)(CO)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000336667544 386789457 /nfs/dbraw/zinc/78/94/57/386789457.db2.gz MGKHNVYJFNDRBA-CHWSQXEVSA-N 2 0 228.380 1.467 20 0 BDADRP CCCC[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417834253 386792418 /nfs/dbraw/zinc/79/24/18/386792418.db2.gz MRFYRHNFFYQUJY-NEPJUHHUSA-N 2 0 241.379 1.138 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417834256 386793392 /nfs/dbraw/zinc/79/33/92/386793392.db2.gz MRFYRHNFFYQUJY-RYUDHWBXSA-N 2 0 241.379 1.138 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+]C1CCSCC1 ZINC000414844484 386775217 /nfs/dbraw/zinc/77/52/17/386775217.db2.gz RNLGVSODXDZKMN-VIFPVBQESA-N 2 0 202.367 1.327 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCN[C@@H]2C)C1(C)C ZINC000396579434 386781498 /nfs/dbraw/zinc/78/14/98/386781498.db2.gz DQTDIMYAIISWIK-FVCCEPFGSA-N 2 0 240.391 1.920 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)[C@H]1CCCO1 ZINC000336667495 386787075 /nfs/dbraw/zinc/78/70/75/386787075.db2.gz DTLZGFQOTKHWAR-IJLUTSLNSA-N 2 0 214.353 1.661 20 0 BDADRP CCCC[NH+]1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000357639671 386818885 /nfs/dbraw/zinc/81/88/85/386818885.db2.gz VOGHKZYDDBNUAC-LBPRGKRZSA-N 2 0 228.380 1.564 20 0 BDADRP CC(C)C[C@H]([NH3+])CNC[C@@H]1[NH2+]CCCC1(C)C ZINC000414934837 386800090 /nfs/dbraw/zinc/80/00/90/386800090.db2.gz VMQLSOQWUUFGQJ-STQMWFEESA-N 2 0 241.423 1.728 20 0 BDADRP CCn1cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000414936183 386837314 /nfs/dbraw/zinc/83/73/14/386837314.db2.gz ZCFSGXFWLGOADL-NEPJUHHUSA-N 2 0 222.336 1.263 20 0 BDADRP C(C[N@@H+]1CC[C@]2(CCOC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000334785343 386845059 /nfs/dbraw/zinc/84/50/59/386845059.db2.gz OMDSCAFZWAFUIS-KBPBESRZSA-N 2 0 238.375 1.489 20 0 BDADRP CC(C)(C)[NH+]1CCC(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000334845337 386892030 /nfs/dbraw/zinc/89/20/30/386892030.db2.gz GBCATYABBWXAPZ-ITGUQSILSA-N 2 0 237.391 1.057 20 0 BDADRP CCCC[N@H+](C)CCN[C@@H]1C[NH+](C)C[C@@H]1C ZINC000336744402 386855874 /nfs/dbraw/zinc/85/58/74/386855874.db2.gz UVTNYRJTSIJHGL-QWHCGFSZSA-N 2 0 227.396 1.258 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CO)C2)c2ccccc21 ZINC000331497076 386863371 /nfs/dbraw/zinc/86/33/71/386863371.db2.gz BLZFEJDXASVBLT-PKIAMQTDSA-N 2 0 246.354 1.882 20 0 BDADRP C[C@H](C[C@H](C)O)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000341289175 386864264 /nfs/dbraw/zinc/86/42/64/386864264.db2.gz URNSNESAUAEKJL-NEPJUHHUSA-N 2 0 242.407 1.998 20 0 BDADRP Cc1c[nH]nc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000334840989 386885972 /nfs/dbraw/zinc/88/59/72/386885972.db2.gz FQYKHFLZASLMEC-ZDUSSCGKSA-N 2 0 248.374 1.540 20 0 BDADRP COc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414940986 386889492 /nfs/dbraw/zinc/88/94/92/386889492.db2.gz CFTXKPQBRMGGDN-AAEUAGOBSA-N 2 0 234.343 1.925 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000334862391 386917891 /nfs/dbraw/zinc/91/78/91/386917891.db2.gz KWRISGKXAFNYKO-QWRGUYRKSA-N 2 0 212.337 1.143 20 0 BDADRP COC(=O)C(C)(C)CC[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414943213 386896274 /nfs/dbraw/zinc/89/62/74/386896274.db2.gz NNUOOGWILDNHFY-GHMZBOCLSA-N 2 0 242.363 1.163 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCN(C)CC2(C)C)CC[NH2+]1 ZINC000334853493 386904396 /nfs/dbraw/zinc/90/43/96/386904396.db2.gz DFCHGAFCIVIHLL-CHWSQXEVSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc2c[nH]nc21 ZINC000334856231 386909177 /nfs/dbraw/zinc/90/91/77/386909177.db2.gz HELSRTADXIKENJ-ZWNOBZJWSA-N 2 0 244.342 1.651 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000334856492 386909629 /nfs/dbraw/zinc/90/96/29/386909629.db2.gz ZKSMUDOCOBLHOP-CQSZACIVSA-N 2 0 238.375 1.487 20 0 BDADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]C1CCOCC1 ZINC000334857801 386911006 /nfs/dbraw/zinc/91/10/06/386911006.db2.gz OLVIBYHIKUGKJF-KCXRBIIJSA-N 2 0 238.375 1.661 20 0 BDADRP [NH3+][C@@H]1C[C@@H](N[C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000332037789 386946572 /nfs/dbraw/zinc/94/65/72/386946572.db2.gz XGXLMGXNMSKJDI-LERXQTSPSA-N 2 0 231.343 1.473 20 0 BDADRP C[NH+](C)C1(CNC(N)=[NH2+])CCCCCC1 ZINC000331903851 386924763 /nfs/dbraw/zinc/92/47/63/386924763.db2.gz RTPCGRWFRIADHH-UHFFFAOYSA-N 2 0 212.341 1.124 20 0 BDADRP Cc1ccncc1CN[C@H]1CC[NH2+][C@@H](C)C1 ZINC000334869029 386927804 /nfs/dbraw/zinc/92/78/04/386927804.db2.gz ODIJOLLPMSLPNA-AAEUAGOBSA-N 2 0 219.332 1.620 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C2Cc3ccccc3C2)CC[NH2+]1 ZINC000334871105 386930262 /nfs/dbraw/zinc/93/02/62/386930262.db2.gz XVUIFEPVDMYONK-FZMZJTMJSA-N 2 0 230.355 1.884 20 0 BDADRP CC[C@@H](CO)[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000332046949 386947716 /nfs/dbraw/zinc/94/77/16/386947716.db2.gz VGJBCXHOFFGEHJ-HBNTYKKESA-N 2 0 200.326 1.007 20 0 BDADRP C[C@H](CC[NH+](C)C)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000352902879 386955906 /nfs/dbraw/zinc/95/59/06/386955906.db2.gz SPFLNQHMZATZCE-YRGRVCCFSA-N 2 0 239.407 1.399 20 0 BDADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2O)CC1 ZINC000334889488 386962466 /nfs/dbraw/zinc/96/24/66/386962466.db2.gz ZRGCCDNNTFUYED-CHWSQXEVSA-N 2 0 240.391 1.752 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000332342358 386972148 /nfs/dbraw/zinc/97/21/48/386972148.db2.gz PZYKIPCOHVDZGY-CRWXNKLISA-N 2 0 240.391 1.787 20 0 BDADRP C[NH+](C)CC[C@@H](NC(=O)C[NH+](C)C)C(C)(C)C ZINC000341916330 386992732 /nfs/dbraw/zinc/99/27/32/386992732.db2.gz AYOMBGPLQSRANS-LLVKDONJSA-N 2 0 243.395 1.031 20 0 BDADRP [NH3+]Cc1cccc(NC(=O)[C@H]([NH3+])C2CCC2)c1 ZINC000643425979 386996604 /nfs/dbraw/zinc/99/66/04/386996604.db2.gz AUDODRLVNNAEIH-GFCCVEGCSA-N 2 0 233.315 1.211 20 0 BDADRP Cc1cnccc1NC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000334821298 386949119 /nfs/dbraw/zinc/94/91/19/386949119.db2.gz MJWSECCXRXSZPX-QWRGUYRKSA-N 2 0 248.330 1.061 20 0 BDADRP CC[C@@H]1CC[N@@H+]1Cc1cnc(N(C)C)n1C ZINC000425383427 387033041 /nfs/dbraw/zinc/03/30/41/387033041.db2.gz PJJJJYTXRPQXLK-SNVBAGLBSA-N 2 0 222.336 1.470 20 0 BDADRP Cc1nc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)oc1C ZINC000110650552 387066563 /nfs/dbraw/zinc/06/65/63/387066563.db2.gz DDHMXPLIFBHALB-SECBINFHSA-N 2 0 237.347 1.851 20 0 BDADRP CC(C)CCC[NH2+]C[C@]1(O)CCN(C)C1 ZINC000336763832 387038879 /nfs/dbraw/zinc/03/88/79/387038879.db2.gz PQYBYONODFTOHC-GFCCVEGCSA-N 2 0 214.353 1.079 20 0 BDADRP c1cc2nccc(N[C@@H]3CC[NH2+]C3)c2s1 ZINC000334979826 387066764 /nfs/dbraw/zinc/06/67/64/387066764.db2.gz JLWHTUOJODKYFD-MRVPVSSYSA-N 2 0 219.313 1.492 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@H]1CC[N@H+](C)C[C@H]1C ZINC000359034316 387046523 /nfs/dbraw/zinc/04/65/23/387046523.db2.gz YSQPBSRTIRMHFU-MCIONIFRSA-N 2 0 241.423 1.647 20 0 BDADRP C[C@H]([NH3+])CN1CC[C@H](n2ncc3ccccc32)C1 ZINC000334966838 387049627 /nfs/dbraw/zinc/04/96/27/387049627.db2.gz IBBAOUSMWIBKES-AAEUAGOBSA-N 2 0 244.342 1.630 20 0 BDADRP CC(C)[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000305164048 387051175 /nfs/dbraw/zinc/05/11/75/387051175.db2.gz XVDZVAPSAQFHPA-KBPBESRZSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@@H](CC(N)=O)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000341966994 387011280 /nfs/dbraw/zinc/01/12/80/387011280.db2.gz JAQLVFSWCUMNIE-NSHDSACASA-N 2 0 249.358 1.102 20 0 BDADRP C(C[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CCC[NH2+]C1 ZINC000085540497 387069884 /nfs/dbraw/zinc/06/98/84/387069884.db2.gz DGLIUSZWRAOTAA-RWMBFGLXSA-N 2 0 224.348 1.239 20 0 BDADRP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCCCF)C1 ZINC000639766911 387070888 /nfs/dbraw/zinc/07/08/88/387070888.db2.gz PQHRAWOUPDCKEM-LBPRGKRZSA-N 2 0 232.343 1.125 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000359230546 387072561 /nfs/dbraw/zinc/07/25/61/387072561.db2.gz ZSHLRPVAMHPYHK-OCCSQVGLSA-N 3 0 239.407 1.435 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423299729 387130519 /nfs/dbraw/zinc/13/05/19/387130519.db2.gz QNUKOQQPPMUKEG-XQQFMLRXSA-N 2 0 227.396 1.624 20 0 BDADRP c1[nH]nc2cc(C[NH2+]CCC[NH2+]C3CC3)ccc12 ZINC000228411153 387094066 /nfs/dbraw/zinc/09/40/66/387094066.db2.gz FBWQHCLWPFNCDL-UHFFFAOYSA-N 2 0 244.342 1.795 20 0 BDADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2COC(C)(C)C2)C1 ZINC000418088556 387096228 /nfs/dbraw/zinc/09/62/28/387096228.db2.gz KKLMSMORRRGMAZ-QWHCGFSZSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000160579426 387104620 /nfs/dbraw/zinc/10/46/20/387104620.db2.gz UNGGKDNKPBTEKU-GXSJLCMTSA-N 2 0 210.346 1.917 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000335025567 387116690 /nfs/dbraw/zinc/11/66/90/387116690.db2.gz SQQMBRRMZRTWJE-OLZOCXBDSA-N 3 0 239.407 1.306 20 0 BDADRP Cc1cc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)n(C)n1 ZINC000335028364 387122420 /nfs/dbraw/zinc/12/24/20/387122420.db2.gz ISBIHUIKVDMNSW-GXFFZTMASA-N 2 0 236.363 1.206 20 0 BDADRP CCCC[C@H](CN)[NH2+][C@@H](C)CCCC[NH3+] ZINC000423298560 387128862 /nfs/dbraw/zinc/12/88/62/387128862.db2.gz ONTXMEUURLBYGR-NWDGAFQWSA-N 2 0 215.385 1.611 20 0 BDADRP CCC[NH2+]CCN[C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000423305726 387141365 /nfs/dbraw/zinc/14/13/65/387141365.db2.gz CLEBMJPHVMPTRW-RYUDHWBXSA-N 2 0 213.369 1.106 20 0 BDADRP Cc1ccc([C@H](C)[NH2+]CC2C[NH2+]C2)cc1 ZINC000423305570 387142051 /nfs/dbraw/zinc/14/20/51/387142051.db2.gz REYBQLUWKKQBIW-NSHDSACASA-N 2 0 204.317 1.865 20 0 BDADRP CC(C)CO[C@@H]1C[C@@H]([NH2+]CC2C[NH2+]C2)C1(C)C ZINC000423308724 387143043 /nfs/dbraw/zinc/14/30/43/387143043.db2.gz YETWKPJZENARCB-CHWSQXEVSA-N 2 0 240.391 1.635 20 0 BDADRP CC(C)O[C@H]1C[C@H]([NH2+]C[C@H](C)C[NH3+])C1(C)C ZINC000423311871 387147874 /nfs/dbraw/zinc/14/78/74/387147874.db2.gz UOBNRGRFGKRVSI-WOPDTQHZSA-N 2 0 228.380 1.763 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000423311236 387149209 /nfs/dbraw/zinc/14/92/09/387149209.db2.gz TVCDMWAVVJKTAJ-WCQYABFASA-N 2 0 234.343 1.565 20 0 BDADRP C[C@H](CCCc1cccnc1)[NH2+]C[C@@H](C)C[NH3+] ZINC000423312452 387149289 /nfs/dbraw/zinc/14/92/89/387149289.db2.gz VEZLMUKHUZKUKA-QWHCGFSZSA-N 2 0 235.375 1.977 20 0 BDADRP c1cncc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000249910572 387150962 /nfs/dbraw/zinc/15/09/62/387150962.db2.gz NNGFNXBMGMWBOO-GJZGRUSLSA-N 2 0 245.370 1.841 20 0 BDADRP CCC[NH2+]CC[NH2+][C@@H]1CCC[C@H]1COCC ZINC000423313482 387150978 /nfs/dbraw/zinc/15/09/78/387150978.db2.gz UJJSRZNQVHXYIF-QWHCGFSZSA-N 2 0 228.380 1.781 20 0 BDADRP CCN(CC)[C@@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000249986504 387151491 /nfs/dbraw/zinc/15/14/91/387151491.db2.gz SMKJWTLDQVYBBM-ZIAGYGMSSA-N 2 0 239.407 1.402 20 0 BDADRP Cc1ccncc1[C@@H](C)[NH2+]C[C@@H](C)C[NH3+] ZINC000423315241 387155285 /nfs/dbraw/zinc/15/52/85/387155285.db2.gz ZIINERSGNHFCLY-GXSJLCMTSA-N 2 0 207.321 1.635 20 0 BDADRP CC(C)[C@@H](Cn1cccn1)[NH2+]CC1([NH3+])CCC1 ZINC000423325109 387168679 /nfs/dbraw/zinc/16/86/79/387168679.db2.gz KUSZTNOBJQAQJT-GFCCVEGCSA-N 2 0 236.363 1.379 20 0 BDADRP COC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353391377 387193317 /nfs/dbraw/zinc/19/33/17/387193317.db2.gz CDNJBYSEHDOWBB-YNEHKIRRSA-N 2 0 240.391 1.874 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2=CC[NH2+]CC2)[C@H](C)C1 ZINC000423330258 387176067 /nfs/dbraw/zinc/17/60/67/387176067.db2.gz BQUVRNYAAJQDMF-TZMCWYRMSA-N 3 0 237.391 1.226 20 0 BDADRP Cc1cc([C@H](C)[NH2+]CC2C[NH2+]C2)cs1 ZINC000423333303 387177307 /nfs/dbraw/zinc/17/73/07/387177307.db2.gz VUEOZTPRMKCZSW-VIFPVBQESA-N 2 0 210.346 1.927 20 0 BDADRP CC[C@H]([NH2+]CC1(C)CC[NH2+]CC1)[C@@H]1CCOC1 ZINC000423335420 387182465 /nfs/dbraw/zinc/18/24/65/387182465.db2.gz RWJCTOPKCCMLLF-OLZOCXBDSA-N 2 0 240.391 1.781 20 0 BDADRP CC1(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC[NH2+]CC1 ZINC000423337828 387185819 /nfs/dbraw/zinc/18/58/19/387185819.db2.gz UEAXUOPGEDXRJP-QWHCGFSZSA-N 3 0 239.407 1.483 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2=CC[NH2+]CC2)[C@H](C)O1 ZINC000423340006 387188467 /nfs/dbraw/zinc/18/84/67/387188467.db2.gz BTNNHBZUJAWFRE-JFGNBEQYSA-N 2 0 210.321 1.062 20 0 BDADRP [NH3+]CCCC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000423339133 387188900 /nfs/dbraw/zinc/18/89/00/387188900.db2.gz WNAQRSIAYFIDGZ-MGPQQGTHSA-N 2 0 240.391 1.910 20 0 BDADRP Cc1cccc([C@@H](C)[NH2+]CC2C[NH2+]C2)c1 ZINC000423301028 387133156 /nfs/dbraw/zinc/13/31/56/387133156.db2.gz GQTWAUYSEVFUPU-LLVKDONJSA-N 2 0 204.317 1.865 20 0 BDADRP C[N@@H+]1CC[C@H](N[C@H]2CCC[NH2+]C2)[C@@H]2CCC[C@H]21 ZINC000423300477 387133490 /nfs/dbraw/zinc/13/34/90/387133490.db2.gz DYJPYWUVRHCKHM-XDQVBPFNSA-N 2 0 237.391 1.201 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000370673766 387133603 /nfs/dbraw/zinc/13/36/03/387133603.db2.gz PORXELYCRYPVLA-CQSZACIVSA-N 2 0 240.391 1.565 20 0 BDADRP COc1ccc([C@H](C)[C@H](C)[NH2+]CC2C[NH2+]C2)cc1 ZINC000423302845 387134262 /nfs/dbraw/zinc/13/42/62/387134262.db2.gz KSVPUQPVRHJMTL-NEPJUHHUSA-N 2 0 248.370 1.996 20 0 BDADRP C[C@H]([NH2+]CC1C[NH2+]C1)C1C(C)(C)C1(C)C ZINC000423302197 387134642 /nfs/dbraw/zinc/13/46/42/387134642.db2.gz JFWPJFOTBZYEOD-VIFPVBQESA-N 2 0 210.365 1.866 20 0 BDADRP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1cccc(CO)c1 ZINC000423303150 387136922 /nfs/dbraw/zinc/13/69/22/387136922.db2.gz WORDDWMJNZKOHN-WDEREUQCSA-N 2 0 222.332 1.424 20 0 BDADRP FC(F)(F)[C@H]1CCC[C@@H]([NH2+]CC2C[NH2+]C2)C1 ZINC000423305828 387141106 /nfs/dbraw/zinc/14/11/06/387141106.db2.gz RSXPXLPZWQLXKU-VHSXEESVSA-N 2 0 236.281 1.917 20 0 BDADRP CC(C)[C@H](CCO)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300408939 387205528 /nfs/dbraw/zinc/20/55/28/387205528.db2.gz SZRBZBOEGVXBAI-IHRRRGAJSA-N 2 0 240.391 1.610 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000229972816 387206738 /nfs/dbraw/zinc/20/67/38/387206738.db2.gz YKTJECAPHREVRT-HZSPNIEDSA-N 2 0 234.343 1.738 20 0 BDADRP CC[N@@H+]1C[C@@H](C)[C@H](NCC[C@H]2CCC[NH2+]2)C1 ZINC000423356309 387207282 /nfs/dbraw/zinc/20/72/82/387207282.db2.gz GMTFSATUTVKATG-JHJVBQTASA-N 2 0 225.380 1.058 20 0 BDADRP CC[N@H+](C)CCNC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423356533 387207472 /nfs/dbraw/zinc/20/74/72/387207472.db2.gz KDYRZJAABPCNED-NSHDSACASA-N 2 0 249.358 1.388 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H](C)[NH+](C)C)cc1 ZINC000423356121 387207642 /nfs/dbraw/zinc/20/76/42/387207642.db2.gz QATQACZAYJVLMC-GHMZBOCLSA-N 2 0 249.358 1.386 20 0 BDADRP COC[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353500031 387215827 /nfs/dbraw/zinc/21/58/27/387215827.db2.gz VRJUGGLHNSNIRM-AAVRWANBSA-N 2 0 240.391 1.731 20 0 BDADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000423366640 387218095 /nfs/dbraw/zinc/21/80/95/387218095.db2.gz CSFNHDVMNQQCBY-QNWHQSFQSA-N 2 0 225.380 1.057 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423427429 387253056 /nfs/dbraw/zinc/25/30/56/387253056.db2.gz QHZBIPGFSDCNIC-AVGNSLFASA-N 3 0 227.396 1.469 20 0 BDADRP COc1ccc(C[C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cn1 ZINC000423326792 387231075 /nfs/dbraw/zinc/23/10/75/387231075.db2.gz RDISKKHSOAMPTI-MFKMUULPSA-N 2 0 249.358 1.348 20 0 BDADRP COc1ccc(C[C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cn1 ZINC000423326790 387232970 /nfs/dbraw/zinc/23/29/70/387232970.db2.gz RDISKKHSOAMPTI-GWCFXTLKSA-N 2 0 249.358 1.348 20 0 BDADRP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000423403273 387237457 /nfs/dbraw/zinc/23/74/57/387237457.db2.gz RYWWZUTYGQIVHP-XUXIUFHCSA-N 2 0 240.391 1.779 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+][C@@H](C)C2)C1(C)C ZINC000423404709 387239774 /nfs/dbraw/zinc/23/97/74/387239774.db2.gz ZDVIENGSRPJOJZ-ZDEQEGDKSA-N 2 0 240.391 1.920 20 0 BDADRP C[C@H]1C[C@H](N[C@H]2CCC[NH2+][C@H]2C)C[N@@H+]1C1CC1 ZINC000423403615 387240473 /nfs/dbraw/zinc/24/04/73/387240473.db2.gz YQXCHVDGZGMPDU-MNXVOIDGSA-N 2 0 237.391 1.342 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1cnn(C)c1 ZINC000423407128 387242926 /nfs/dbraw/zinc/24/29/26/387242926.db2.gz VJRFYXLWKVMGIG-WCFLWFBJSA-N 2 0 236.363 1.459 20 0 BDADRP CC[C@@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)C1CCC1 ZINC000423414577 387247151 /nfs/dbraw/zinc/24/71/51/387247151.db2.gz NERMOHBJMCANIO-KGLIPLIRSA-N 2 0 240.391 1.923 20 0 BDADRP CC1(C)CCCN1CC[NH2+]C1CCOCC1 ZINC000063074040 387248373 /nfs/dbraw/zinc/24/83/73/387248373.db2.gz BRMVOIQFCJPHDO-UHFFFAOYSA-N 2 0 226.364 1.629 20 0 BDADRP CCN(CCO)CC[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000193149536 387310821 /nfs/dbraw/zinc/31/08/21/387310821.db2.gz DRRUXASNAMKKIC-QWHCGFSZSA-N 2 0 242.407 1.715 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC000423461966 387311468 /nfs/dbraw/zinc/31/14/68/387311468.db2.gz DAXXMXQLFQRZJO-RVMXOQNASA-N 3 0 225.380 1.234 20 0 BDADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000423463039 387311513 /nfs/dbraw/zinc/31/15/13/387311513.db2.gz LBIFZKRXJYCGIG-HTVCTNPSSA-N 2 0 240.391 1.907 20 0 BDADRP CC[C@H]1CCCC[C@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423467070 387315143 /nfs/dbraw/zinc/31/51/43/387315143.db2.gz YVXBOWIOWQNCME-KIJLLGNVSA-N 2 0 208.349 1.763 20 0 BDADRP CCC[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1O)C(C)(C)C ZINC000423428864 387255517 /nfs/dbraw/zinc/25/55/17/387255517.db2.gz OPGFZOQWFDQKBQ-TUAOUCFPSA-N 2 0 228.380 1.371 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@H]1[NH2+]CCCC1(C)C ZINC000423375677 387257938 /nfs/dbraw/zinc/25/79/38/387257938.db2.gz DBPWQWLJHKDTAQ-FRRDWIJNSA-N 2 0 239.407 1.304 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2CCCC[C@@H]2C[NH3+])CC[NH2+]1 ZINC000423378298 387258992 /nfs/dbraw/zinc/25/89/92/387258992.db2.gz KSLDWGMPOJQIGG-LPWJVIDDSA-N 2 0 225.380 1.234 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2CCCC[C@H]2C[NH3+])CC[NH2+]1 ZINC000423378300 387260064 /nfs/dbraw/zinc/26/00/64/387260064.db2.gz KSLDWGMPOJQIGG-XQHKEYJVSA-N 2 0 225.380 1.234 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)[C@H](C)O1 ZINC000423382119 387265632 /nfs/dbraw/zinc/26/56/32/387265632.db2.gz JUXCQUDYIRXPQN-ZETOZRRWSA-N 2 0 246.354 1.945 20 0 BDADRP CC(C)([NH3+])CC(=O)NCC1([NH3+])CCCCCC1 ZINC000360336897 387265818 /nfs/dbraw/zinc/26/58/18/387265818.db2.gz QQTGPXUTXNPGGC-UHFFFAOYSA-N 2 0 241.379 1.282 20 0 BDADRP CC[NH2+][C@H](C)CN[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000423385208 387269096 /nfs/dbraw/zinc/26/90/96/387269096.db2.gz QQBNQVDZHPPKJD-GRYCIOLGSA-N 2 0 225.380 1.199 20 0 BDADRP CC[NH2+][C@H](C)CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000423387015 387271211 /nfs/dbraw/zinc/27/12/11/387271211.db2.gz SGYXFJFDUMGSRB-FDYHWXHSSA-N 2 0 227.396 1.303 20 0 BDADRP CCC[NH+]1CCC(NCCC[NH2+]CC)CC1 ZINC000643498863 387277160 /nfs/dbraw/zinc/27/71/60/387277160.db2.gz MYMACTNOWVOGLK-UHFFFAOYSA-N 3 0 227.396 1.450 20 0 BDADRP C1CC1[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCCC1 ZINC000423430994 387281740 /nfs/dbraw/zinc/28/17/40/387281740.db2.gz NAXYKJHOZFAWEH-RQJABVFESA-N 2 0 220.360 1.763 20 0 BDADRP C1CCC2(C1)[C@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)[C@@H]1CCO[C@H]12 ZINC000423433055 387284354 /nfs/dbraw/zinc/28/43/54/387284354.db2.gz MUOKWVPKTHUGLV-PRSXHHODSA-N 2 0 248.370 1.142 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423436018 387286841 /nfs/dbraw/zinc/28/68/41/387286841.db2.gz ZESVAJKCBDQONI-RNJOBUHISA-N 2 0 228.380 1.765 20 0 BDADRP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC2(C1)CCOCC2 ZINC000302636363 387286959 /nfs/dbraw/zinc/28/69/59/387286959.db2.gz DYDVKZODAYQPBB-ZDUSSCGKSA-N 2 0 240.391 1.862 20 0 BDADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423438337 387287552 /nfs/dbraw/zinc/28/75/52/387287552.db2.gz RHVKVTRJNFZEKG-GCHJQGSQSA-N 2 0 208.349 1.619 20 0 BDADRP CC(C)O[C@@H]1C[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])C1(C)C ZINC000423437671 387288811 /nfs/dbraw/zinc/28/88/11/387288811.db2.gz GLDSZZQKZLKIFZ-WHOHXGKFSA-N 2 0 228.380 1.904 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])C12CCC2 ZINC000423440326 387290951 /nfs/dbraw/zinc/29/09/51/387290951.db2.gz IOFJPTPXTOQYQS-NOOOWODRSA-N 2 0 226.364 1.659 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccncc1F ZINC000423443378 387293314 /nfs/dbraw/zinc/29/33/14/387293314.db2.gz AIYNCXVPCQCNEV-NXEZZACHSA-N 2 0 225.311 1.999 20 0 BDADRP Cc1ncc(C[NH2+]CC2CC[NH+](C)CC2)n1C ZINC000514798895 387294620 /nfs/dbraw/zinc/29/46/20/387294620.db2.gz MKVJTHYKZYLYNP-UHFFFAOYSA-N 2 0 236.363 1.160 20 0 BDADRP C[C@@H](C[C@H]1CCOC1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000643462030 387295220 /nfs/dbraw/zinc/29/52/20/387295220.db2.gz YQKLKAQGCCFFSS-RJZJGCCBSA-N 2 0 240.391 1.909 20 0 BDADRP Cc1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)no1 ZINC000459790984 387297553 /nfs/dbraw/zinc/29/75/53/387297553.db2.gz RIFBNAAQFFGNPN-GFCCVEGCSA-N 2 0 237.347 1.805 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cccs2)C1 ZINC000160572036 387303603 /nfs/dbraw/zinc/30/36/03/387303603.db2.gz UIPRNJNAECUJFO-ZJUUUORDSA-N 2 0 210.346 1.917 20 0 BDADRP COC[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])C1CCCC1 ZINC000423457864 387306941 /nfs/dbraw/zinc/30/69/41/387306941.db2.gz GFXCFJLBFYJXLZ-SCVCMEIPSA-N 2 0 214.353 1.517 20 0 BDADRP CC(C)C[C@@H]([NH3+])c1noc([C@H](C)C[NH3+])n1 ZINC000572284868 387308161 /nfs/dbraw/zinc/30/81/61/387308161.db2.gz IJIZOBGYVNMZGU-HTQZYQBOSA-N 2 0 212.297 1.178 20 0 BDADRP C[C@@H](NC[C@H]1CCCC[NH2+]1)[C@@H]1CCCC[NH2+]1 ZINC000643502222 387363084 /nfs/dbraw/zinc/36/30/84/387363084.db2.gz ADMBMBLVUIMNFJ-UPJWGTAASA-N 2 0 225.380 1.249 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000423481547 387363467 /nfs/dbraw/zinc/36/34/67/387363467.db2.gz WVPXGTNHHCKIJT-QCNOEVLYSA-N 2 0 226.364 1.517 20 0 BDADRP C[C@@H](NC[C@@H]1CCCC[NH2+]1)[C@@H]1CCCC[NH2+]1 ZINC000643502217 387364314 /nfs/dbraw/zinc/36/43/14/387364314.db2.gz ADMBMBLVUIMNFJ-AGIUHOORSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)[C@@H]1CCC[NH2+]1 ZINC000423540190 387366292 /nfs/dbraw/zinc/36/62/92/387366292.db2.gz DANGXGYTRMELAL-ABXWRUBCSA-N 3 0 239.407 1.589 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1NCCC[NH2+]C1CC1 ZINC000423543799 387367460 /nfs/dbraw/zinc/36/74/60/387367460.db2.gz CDWPHZSWWZUTFU-QWHCGFSZSA-N 2 0 225.380 1.378 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCC2=CC[NH2+]CC2)[C@@H]1C ZINC000423546106 387370158 /nfs/dbraw/zinc/37/01/58/387370158.db2.gz YQLPXSCOZGITFH-NQBHXWOUSA-N 2 0 208.349 1.930 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2CCCC[NH2+]C2)CC[N@@H+]1C ZINC000423555075 387374495 /nfs/dbraw/zinc/37/44/95/387374495.db2.gz LQDFVBFFCJUWKH-JHJVBQTASA-N 2 0 225.380 1.201 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)CCO1 ZINC000423558960 387375196 /nfs/dbraw/zinc/37/51/96/387375196.db2.gz SRLQHKVISLVIHH-YVECIDJPSA-N 2 0 226.364 1.674 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CCO1 ZINC000423559059 387375824 /nfs/dbraw/zinc/37/58/24/387375824.db2.gz SXSWFJRQXKBDMI-SYQHCUMBSA-N 2 0 240.391 1.922 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)CCO1 ZINC000423559058 387376275 /nfs/dbraw/zinc/37/62/75/387376275.db2.gz SXSWFJRQXKBDMI-REWJHTLYSA-N 2 0 240.391 1.922 20 0 BDADRP CC[C@H](C)[C@@H](C[NH2+][C@@H](C)CC[NH+](C)C)OC ZINC000648659528 387379791 /nfs/dbraw/zinc/37/97/91/387379791.db2.gz SRCJTMMARXDSGP-RWMBFGLXSA-N 2 0 230.396 1.977 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]CC2=CC[NH2+]CC2)c2ccccc21 ZINC000572392503 387380663 /nfs/dbraw/zinc/38/06/63/387380663.db2.gz UNFYBORIWVNHJB-GJZGRUSLSA-N 2 0 243.354 1.641 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1NCCC[NH2+]C1CC1 ZINC000423573751 387380767 /nfs/dbraw/zinc/38/07/67/387380767.db2.gz ZLUIRENGTRIXIJ-AAEUAGOBSA-N 2 0 225.380 1.236 20 0 BDADRP C[C@H]1C[C@@H]([NH+]2CCSCC2)CC[NH2+]1 ZINC000575512072 387381933 /nfs/dbraw/zinc/38/19/33/387381933.db2.gz KNXDTVJNZSBNQJ-UWVGGRQHSA-N 2 0 200.351 1.176 20 0 BDADRP C[C@@H](N[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1CCCC[NH2+]1 ZINC000423474863 387321335 /nfs/dbraw/zinc/32/13/35/387321335.db2.gz HTRDWWIACRSSGL-OUAUKWLOSA-N 2 0 247.333 1.104 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423475178 387321996 /nfs/dbraw/zinc/32/19/96/387321996.db2.gz RSMAMGGZIVFPCY-FVCCEPFGSA-N 2 0 238.375 1.661 20 0 BDADRP CCC[NH2+]CCNC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000423474242 387322751 /nfs/dbraw/zinc/32/27/51/387322751.db2.gz YZMNSZSNGBBNDJ-LLVKDONJSA-N 2 0 249.358 1.436 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1ccnn1C ZINC000423476769 387325051 /nfs/dbraw/zinc/32/50/51/387325051.db2.gz RJFAJQSZADVUOB-SDDRHHMPSA-N 2 0 236.363 1.588 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H](C)O1 ZINC000423479881 387326375 /nfs/dbraw/zinc/32/63/75/387326375.db2.gz VKROMCQZDFXYFW-VEGXAWMVSA-N 2 0 226.364 1.659 20 0 BDADRP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)C1CCC1 ZINC000423486261 387331021 /nfs/dbraw/zinc/33/10/21/387331021.db2.gz BTOBNOSZDNOLTM-QWHCGFSZSA-N 2 0 226.364 1.533 20 0 BDADRP C[NH+](C)[C@@H]1CCC[N@H+](CCn2cccn2)CC1 ZINC000372989088 387339817 /nfs/dbraw/zinc/33/98/17/387339817.db2.gz GCMXSGKOZKOSOJ-CYBMUJFWSA-N 2 0 236.363 1.299 20 0 BDADRP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423505133 387342895 /nfs/dbraw/zinc/34/28/95/387342895.db2.gz GNVBQIZDHOALBI-RQJABVFESA-N 2 0 240.391 1.779 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]CCC[NH2+]C1CC1 ZINC000423519237 387352960 /nfs/dbraw/zinc/35/29/60/387352960.db2.gz DBSPKLNHGHWUIS-VHSXEESVSA-N 2 0 200.326 1.142 20 0 BDADRP C[N@H+](CCC[NH+]1CCCCC1)[C@H]1CCC[C@@H]1O ZINC000352665059 387426829 /nfs/dbraw/zinc/42/68/29/387426829.db2.gz DEVKFXBFFCBGPE-KBPBESRZSA-N 2 0 240.391 1.708 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCOC1 ZINC000084216847 387440695 /nfs/dbraw/zinc/44/06/95/387440695.db2.gz UYEUDUSAUCFYEM-UTUOFQBUSA-N 2 0 212.337 1.273 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CC[C@H](O)C1(C)C ZINC000361405167 387455174 /nfs/dbraw/zinc/45/51/74/387455174.db2.gz WTQOBTSVDCFBOD-LBPRGKRZSA-N 2 0 228.380 1.564 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](CCCCCO)C1 ZINC000304294965 387458599 /nfs/dbraw/zinc/45/85/99/387458599.db2.gz FGBBVTLWOPLWNN-CYBMUJFWSA-N 2 0 228.380 1.423 20 0 BDADRP C[C@H]([NH2+]CC1(O)CCCC1)C(C)(C)C[NH+](C)C ZINC000515638068 387404015 /nfs/dbraw/zinc/40/40/15/387404015.db2.gz PMMOZGOAVWFXMS-LBPRGKRZSA-N 2 0 242.407 1.857 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc[nH]c2)C1 ZINC000086251624 387518619 /nfs/dbraw/zinc/51/86/19/387518619.db2.gz PUXKQXCAAKNJKP-CYBMUJFWSA-N 2 0 221.348 1.836 20 0 BDADRP CC1(C)SC[C@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000307093281 387530039 /nfs/dbraw/zinc/53/00/39/387530039.db2.gz CSUDBBIHBROWPX-NXEZZACHSA-N 2 0 214.378 1.612 20 0 BDADRP C[C@H](O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000192774020 387531566 /nfs/dbraw/zinc/53/15/66/387531566.db2.gz MORYOZSYDSUSJF-LBPRGKRZSA-N 2 0 228.380 1.421 20 0 BDADRP CC(C)(C)CC[NH+]1CCC(O)(C[NH3+])CC1 ZINC000397120557 387541588 /nfs/dbraw/zinc/54/15/88/387541588.db2.gz YPOFPGADNUJYAC-UHFFFAOYSA-N 2 0 214.353 1.208 20 0 BDADRP CC[NH+](CC)CCC[N@H+](C)C[C@H](C)O ZINC000361505495 387464221 /nfs/dbraw/zinc/46/42/21/387464221.db2.gz PIRJINVZUZCUHR-NSHDSACASA-N 2 0 202.342 1.031 20 0 BDADRP CC[C@H](C(=O)N(C)CCC[NH2+]C)[NH+](CC)CC ZINC000424018772 387466887 /nfs/dbraw/zinc/46/68/87/387466887.db2.gz JWOJRNDWTNAPMB-GFCCVEGCSA-N 2 0 243.395 1.175 20 0 BDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC(C)(C)CC[NH3+] ZINC000424048883 387469886 /nfs/dbraw/zinc/46/98/86/387469886.db2.gz SSTGJYACYLJPBJ-PHIMTYICSA-N 2 0 241.379 1.103 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@@H](CO)CC1)[C@H]1CCCC[NH2+]1 ZINC000643471022 387477824 /nfs/dbraw/zinc/47/78/24/387477824.db2.gz LXYUMJQNINQUKO-IGQOVBAYSA-N 2 0 240.391 1.658 20 0 BDADRP [NH3+]CC1CCC([NH2+]C2CCC(CO)CC2)CC1 ZINC000643471283 387480292 /nfs/dbraw/zinc/48/02/92/387480292.db2.gz OIIYUNILSAGCSE-UHFFFAOYSA-N 2 0 240.391 1.645 20 0 BDADRP C(C[NH2+]C1CC1)N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000643508262 387481621 /nfs/dbraw/zinc/48/16/21/387481621.db2.gz YXMNNTCNASUPQC-MCIONIFRSA-N 2 0 237.391 1.249 20 0 BDADRP COC1(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)CCCC1 ZINC000361550220 387483664 /nfs/dbraw/zinc/48/36/64/387483664.db2.gz QQWIEXYQYILPEI-ZDUSSCGKSA-N 2 0 240.391 1.829 20 0 BDADRP CC[NH+](CC)CCCN1CCO[C@H](C2CC2)C1 ZINC000375980019 387598848 /nfs/dbraw/zinc/59/88/48/387598848.db2.gz IMVCRLMYACXKRF-AWEZNQCLSA-N 2 0 240.391 1.829 20 0 BDADRP C1CC2(C1)[NH2+]CC[C@@H]2N[C@@H]1CCC[NH2+]CC1 ZINC000527532167 387598877 /nfs/dbraw/zinc/59/88/77/387598877.db2.gz JVHYRTHLPROKNF-NEPJUHHUSA-N 2 0 223.364 1.003 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000422552943 387598980 /nfs/dbraw/zinc/59/89/80/387598980.db2.gz ITGQGXRNSMREFJ-HSBZDZAISA-N 3 0 241.423 1.822 20 0 BDADRP CCC[C@H]([NH3+])C(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000375989859 387599466 /nfs/dbraw/zinc/59/94/66/387599466.db2.gz JZWKFVFZNQJBJB-LBPRGKRZSA-N 2 0 247.342 1.398 20 0 BDADRP C[N@@H+](Cc1cccc(C2CC2)c1)C[C@@H](O)C[NH3+] ZINC000422550484 387599669 /nfs/dbraw/zinc/59/96/69/387599669.db2.gz BIBJQOVYXSTAED-AWEZNQCLSA-N 2 0 234.343 1.315 20 0 BDADRP C[C@@H]1C[C@H](C)N(C[C@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000422558483 387600559 /nfs/dbraw/zinc/60/05/59/387600559.db2.gz AUVLXBDILNYKNZ-ZOBORPQBSA-N 2 0 239.407 1.291 20 0 BDADRP CC(C)CC[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000122864258 387609592 /nfs/dbraw/zinc/60/95/92/387609592.db2.gz VNKWXJRELRGYLZ-UHFFFAOYSA-N 2 0 241.423 1.602 20 0 BDADRP CCCC[N@H+](C)CCN[C@@H]1CCC[C@H]1[NH3+] ZINC000422708264 387622923 /nfs/dbraw/zinc/62/29/23/387622923.db2.gz ISTVTSITBPASTD-VXGBXAGGSA-N 2 0 213.369 1.188 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000124595762 387623573 /nfs/dbraw/zinc/62/35/73/387623573.db2.gz QPTMQSPCGKCMGM-XJFOESAGSA-N 2 0 240.391 1.514 20 0 BDADRP CC[NH2+]CC1CC[NH+](CCOCC2CC2)CC1 ZINC000430578245 387629770 /nfs/dbraw/zinc/62/97/70/387629770.db2.gz DYVIEFTVUSDYHO-UHFFFAOYSA-N 2 0 240.391 1.735 20 0 BDADRP CCC[NH+](CCC)CCCN[C@H]1CCC[C@@H]1[NH3+] ZINC000422712363 387624918 /nfs/dbraw/zinc/62/49/18/387624918.db2.gz OBGOAYWKEWHTTL-KBPBESRZSA-N 2 0 241.423 1.968 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])CCOC1 ZINC000397150593 387545541 /nfs/dbraw/zinc/54/55/41/387545541.db2.gz LVJCQJXGQUCLKX-YNEHKIRRSA-N 2 0 226.364 1.520 20 0 BDADRP C[C@]1(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])CCOC1 ZINC000397150592 387545883 /nfs/dbraw/zinc/54/58/83/387545883.db2.gz LVJCQJXGQUCLKX-RWMBFGLXSA-N 2 0 226.364 1.520 20 0 BDADRP C[N@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1CCCC[C@H]1O ZINC000426266628 387552823 /nfs/dbraw/zinc/55/28/23/387552823.db2.gz ZFJPPVDUMGBDTL-MGPQQGTHSA-N 2 0 240.391 1.706 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)COC)[C@H](C)C1 ZINC000426339920 387557302 /nfs/dbraw/zinc/55/73/02/387557302.db2.gz YDQNNIBFKMXJFO-CHWSQXEVSA-N 2 0 242.407 1.979 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cccc(N(C)C)c1 ZINC000422721157 387634053 /nfs/dbraw/zinc/63/40/53/387634053.db2.gz UTFNKXSCDTVPAD-VXGBXAGGSA-N 2 0 235.375 1.968 20 0 BDADRP CC[C@@H]1CCCC[N@@H+]1CCN[C@H]1CCC[C@H]1[NH3+] ZINC000422725473 387636398 /nfs/dbraw/zinc/63/63/98/387636398.db2.gz BMGOUNKUYOTKHU-MCIONIFRSA-N 2 0 239.407 1.720 20 0 BDADRP CCOCCC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422725168 387636936 /nfs/dbraw/zinc/63/69/36/387636936.db2.gz ASIOMHAJHJTEAP-NWDGAFQWSA-N 2 0 214.353 1.663 20 0 BDADRP CCOC(=O)C1([C@@H](C)[NH2+]C2CC2)CC[NH2+]CC1 ZINC000422730922 387637855 /nfs/dbraw/zinc/63/78/55/387637855.db2.gz MVNBXMWDAUEWRG-SNVBAGLBSA-N 2 0 240.347 1.060 20 0 BDADRP CC[NH+](CC)CCCN[C@@H](C)C[C@H](C)[NH3+] ZINC000422730175 387639218 /nfs/dbraw/zinc/63/92/18/387639218.db2.gz LSJXDBMHAIJMDH-RYUDHWBXSA-N 2 0 215.385 1.434 20 0 BDADRP C[C@H](C[NH2+]C1CCC(C[NH3+])CC1)N(C)C1CC1 ZINC000422736546 387642353 /nfs/dbraw/zinc/64/23/53/387642353.db2.gz GMQFLEPRSOJFOG-PNESKVBLSA-N 2 0 239.407 1.576 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)NCC[N@H+](C)C1CCCC1 ZINC000422736207 387643150 /nfs/dbraw/zinc/64/31/50/387643150.db2.gz FUNBVIIKPGWEGQ-VXGBXAGGSA-N 2 0 227.396 1.576 20 0 BDADRP C[C@]1(C[NH2+]C2CCC(C[NH3+])CC2)CCOC1 ZINC000422738441 387644710 /nfs/dbraw/zinc/64/47/10/387644710.db2.gz YSLYYRBVLKIOGQ-WXRRBKDZSA-N 2 0 226.364 1.520 20 0 BDADRP C[C@@H](NC[C@H](C)[N@H+](C)C1CC1)[C@H]1CCC[NH2+]1 ZINC000422737404 387645402 /nfs/dbraw/zinc/64/54/02/387645402.db2.gz IAOIYJJKTMDZLR-DMDPSCGWSA-N 2 0 225.380 1.199 20 0 BDADRP C[C@H](CN[C@H]1CCCCC[C@@H]1[NH3+])[NH+](C)C ZINC000422738128 387645610 /nfs/dbraw/zinc/64/56/10/387645610.db2.gz JFKKLBQDBMCVRH-WOPDTQHZSA-N 2 0 213.369 1.186 20 0 BDADRP C[NH+](C)[C@H]1CCC[N@H+](CCOC2CCC2)CC1 ZINC000376519630 387647125 /nfs/dbraw/zinc/64/71/25/387647125.db2.gz RCSHYNQGUAQPOM-ZDUSSCGKSA-N 2 0 240.391 1.972 20 0 BDADRP CC[NH+](CC)CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422741575 387648374 /nfs/dbraw/zinc/64/83/74/387648374.db2.gz DUVBGFWYXQERQY-FUNVUKJBSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCO2)CC[N@@H+]1C ZINC000149294703 387649517 /nfs/dbraw/zinc/64/95/17/387649517.db2.gz XNDPVXOEVNKIOQ-UTUOFQBUSA-N 2 0 212.337 1.238 20 0 BDADRP CC[C@@H](N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000422746701 387651022 /nfs/dbraw/zinc/65/10/22/387651022.db2.gz WYOYHQNTXVMIEF-BNOWGMLFSA-N 2 0 237.391 1.343 20 0 BDADRP Cc1cc(CC[NH2+][C@H]2CCCCC[C@H]2[NH3+])on1 ZINC000643489120 387654230 /nfs/dbraw/zinc/65/42/30/387654230.db2.gz XPUXEWCWOMMNHQ-OLZOCXBDSA-N 2 0 237.347 1.775 20 0 BDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C[C@H](C)[NH3+] ZINC000430805623 387654657 /nfs/dbraw/zinc/65/46/57/387654657.db2.gz FULHQRCQHURXDN-NSHDSACASA-N 2 0 249.358 1.732 20 0 BDADRP CC(C)[NH+](CCN[C@H](C)C[C@H](C)[NH3+])C(C)C ZINC000422752443 387657495 /nfs/dbraw/zinc/65/74/95/387657495.db2.gz HAEJNFPSSCCXKU-QWHCGFSZSA-N 2 0 229.412 1.821 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCn1cnc2ccccc21 ZINC000422755272 387658573 /nfs/dbraw/zinc/65/85/73/387658573.db2.gz GOEXXAFJXAQZEN-RYUDHWBXSA-N 2 0 244.342 1.506 20 0 BDADRP CC[C@H](NC[C@@H]1CCC[N@@H+]1CC)[C@@H]1CCC[NH2+]1 ZINC000422755595 387658842 /nfs/dbraw/zinc/65/88/42/387658842.db2.gz KRGHPSQDGCUDHO-IHRRRGAJSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@H](NCC[N@H+](C)Cc1ccccc1)C1C[NH2+]C1 ZINC000422753317 387659350 /nfs/dbraw/zinc/65/93/50/387659350.db2.gz GDGZVFFVQHXUDY-ZDUSSCGKSA-N 2 0 247.386 1.316 20 0 BDADRP C[NH+](C)[C@H](CN[C@@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000422757863 387660003 /nfs/dbraw/zinc/66/00/03/387660003.db2.gz NDSKSBRZGBLAMX-RRFJBIMHSA-N 2 0 247.386 1.759 20 0 BDADRP Cc1ccc(OCC[NH2+][C@H]2CCC[C@H]2[NH3+])cc1 ZINC000422759064 387661379 /nfs/dbraw/zinc/66/13/79/387661379.db2.gz OUOZLLBIUWAUFE-KGLIPLIRSA-N 2 0 234.343 1.843 20 0 BDADRP CSC[C@H](C)[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422756894 387661571 /nfs/dbraw/zinc/66/15/71/387661571.db2.gz MCIMTRNJFXBYKF-AXFHLTTASA-N 2 0 216.394 1.988 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NCCC[N@@H+]1CCCC[C@H]1C ZINC000422759733 387662940 /nfs/dbraw/zinc/66/29/40/387662940.db2.gz GARNEAVVGJKHTE-MELADBBJSA-N 2 0 241.423 1.966 20 0 BDADRP CC[C@H]([NH2+]CCCOCCOC)[C@@H]1CCC[NH2+]1 ZINC000422788734 387662984 /nfs/dbraw/zinc/66/29/84/387662984.db2.gz RHLPSKAYKRQYMJ-STQMWFEESA-N 2 0 244.379 1.160 20 0 BDADRP C[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1)C1C[NH2+]C1 ZINC000422759718 387663506 /nfs/dbraw/zinc/66/35/06/387663506.db2.gz LFHFYRDYKNECRZ-TZMCWYRMSA-N 2 0 248.370 1.035 20 0 BDADRP C[C@@H](NCCC[N@@H+]1CCCC[C@@H]1C)C1C[NH2+]C1 ZINC000422765786 387665550 /nfs/dbraw/zinc/66/55/50/387665550.db2.gz LFHBSHLBOKYEJU-QWHCGFSZSA-N 2 0 239.407 1.448 20 0 BDADRP Cc1ccccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000422764853 387665821 /nfs/dbraw/zinc/66/58/21/387665821.db2.gz OPYGIDLVZYROAJ-BPLDGKMQSA-N 2 0 248.370 1.837 20 0 BDADRP Cc1ccc(C[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000422763107 387666575 /nfs/dbraw/zinc/66/65/75/387666575.db2.gz ONTXYERKNRLBND-LLVKDONJSA-N 2 0 204.317 1.693 20 0 BDADRP C[NH+](C)C[C@@](C)(O)C[NH2+]CC1CCCCC1 ZINC000125895019 387666935 /nfs/dbraw/zinc/66/69/35/387666935.db2.gz FXRRZYAVEFXUHN-ZDUSSCGKSA-N 2 0 228.380 1.469 20 0 BDADRP C[NH+](C)C[C@@](C)(O)C[NH2+]C[C@H]1CC=CCC1 ZINC000125910212 387668274 /nfs/dbraw/zinc/66/82/74/387668274.db2.gz RVPAHAIPHSBGKT-STQMWFEESA-N 2 0 226.364 1.245 20 0 BDADRP C[C@@H]([NH3+])CCNC(=O)c1ccccc1C[NH+](C)C ZINC000422776409 387671975 /nfs/dbraw/zinc/67/19/75/387671975.db2.gz DLUHAKXYKDECLP-LLVKDONJSA-N 2 0 249.358 1.215 20 0 BDADRP CCCCOCC[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000422776537 387673316 /nfs/dbraw/zinc/67/33/16/387673316.db2.gz CVTHXIIOKTYXJF-FRRDWIJNSA-N 2 0 244.379 1.145 20 0 BDADRP C[C@H]([NH3+])CCNC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000422776576 387674189 /nfs/dbraw/zinc/67/41/89/387674189.db2.gz DADGQRHUHCIBCB-CMPLNLGQSA-N 2 0 241.379 1.138 20 0 BDADRP C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)[C@@H]1CCC[NH2+]1 ZINC000422779643 387677344 /nfs/dbraw/zinc/67/73/44/387677344.db2.gz IOQCBBJTFLFKOX-JZRPKSSGSA-N 2 0 238.375 1.530 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2[NH3+])C12CCC2 ZINC000422782858 387681264 /nfs/dbraw/zinc/68/12/64/387681264.db2.gz NLNMAKKDKXKYQW-ZDEQEGDKSA-N 2 0 238.375 1.804 20 0 BDADRP CC(C)CCOCC[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422782415 387681773 /nfs/dbraw/zinc/68/17/73/387681773.db2.gz MWYFTKKWTQUIGF-NWDGAFQWSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCCOCC1CC1 ZINC000422782943 387681921 /nfs/dbraw/zinc/68/19/21/387681921.db2.gz KHESJBUCDZRDHE-MNOVXSKESA-N 2 0 214.353 1.519 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCCOCC1CC1 ZINC000422786063 387687971 /nfs/dbraw/zinc/68/79/71/387687971.db2.gz ODMMAQNLAHEPDA-VXGBXAGGSA-N 2 0 212.337 1.273 20 0 BDADRP C[C@@H](Cc1ccccc1F)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422744472 387689318 /nfs/dbraw/zinc/68/93/18/387689318.db2.gz WDCKTYUMNSXSRG-QWRGUYRKSA-N 2 0 236.334 1.954 20 0 BDADRP CCOC[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000044688324 387690074 /nfs/dbraw/zinc/69/00/74/387690074.db2.gz FENNUXIFLWGNER-GFCCVEGCSA-N 2 0 228.380 1.874 20 0 BDADRP CC1(C)[C@H]([NH2+]C2CC[NH2+]CC2)[C@@H]2CCCO[C@H]21 ZINC000422788475 387690633 /nfs/dbraw/zinc/69/06/33/387690633.db2.gz VLKTTZFLJNLFTO-YNEHKIRRSA-N 2 0 238.375 1.532 20 0 BDADRP CO[C@@H](C[NH2+][C@@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000422743919 387690821 /nfs/dbraw/zinc/69/08/21/387690821.db2.gz VECHKGZNCLKQGB-FZMZJTMJSA-N 2 0 234.343 1.572 20 0 BDADRP CC(C)[C@H](O)CC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422791553 387694150 /nfs/dbraw/zinc/69/41/50/387694150.db2.gz YQLUZCCCNJWEJZ-JHJVBQTASA-N 2 0 228.380 1.643 20 0 BDADRP C[C@@H](NCC[N@@H+]1CCCC[C@@H]1C)[C@H]1CCC[NH2+]1 ZINC000422862088 387744682 /nfs/dbraw/zinc/74/46/82/387744682.db2.gz NJVMRFHSXYPWOY-BFHYXJOUSA-N 2 0 239.407 1.591 20 0 BDADRP CC[N@H+](CCN[C@@H](C)C[C@@H](C)[NH3+])C1CC1 ZINC000422876908 387756323 /nfs/dbraw/zinc/75/63/23/387756323.db2.gz GRKZTBBYPVUQPH-MNOVXSKESA-N 2 0 213.369 1.186 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000422865252 387746145 /nfs/dbraw/zinc/74/61/45/387746145.db2.gz XLJYWPBHQOPLDY-AVGNSLFASA-N 2 0 239.407 1.719 20 0 BDADRP C[C@@H](N[C@@H]1CC[N@@H+](C2CCCC2)C1)C1C[NH2+]C1 ZINC000422863818 387746932 /nfs/dbraw/zinc/74/69/32/387746932.db2.gz SHGDIHGEVJPELS-DGCLKSJQSA-N 2 0 237.391 1.201 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]2C[NH3+])C[N@@H+]1C1CC1 ZINC000422863803 387747422 /nfs/dbraw/zinc/74/74/22/387747422.db2.gz MBHYSJFDLURPIO-OWTLIXCDSA-N 2 0 237.391 1.329 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CCN1CCC[C@H](C)C1 ZINC000422867224 387747846 /nfs/dbraw/zinc/74/78/46/387747846.db2.gz RWMPZQBELKOWQO-STQMWFEESA-N 2 0 227.396 1.435 20 0 BDADRP COCC[C@@H](C)[NH2+]CCN1CCCC[C@@H]1C ZINC000222011128 387747902 /nfs/dbraw/zinc/74/79/02/387747902.db2.gz DBOSRKBDUWCJTJ-OLZOCXBDSA-N 2 0 228.380 1.875 20 0 BDADRP C[NH+](C)C1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000188726474 387750208 /nfs/dbraw/zinc/75/02/08/387750208.db2.gz CDNGUFMOIZPQQG-CYBMUJFWSA-N 2 0 226.364 1.582 20 0 BDADRP C[C@@H]1C[C@@H](N[C@H]2C[NH2+]CC[C@H]2C)C[N@@H+]1C1CC1 ZINC000422871870 387750481 /nfs/dbraw/zinc/75/04/81/387750481.db2.gz ZXQXANVCUAXFRP-BYNQJWBRSA-N 2 0 237.391 1.199 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)CC2(C[NH3+])CC2)cc1 ZINC000422874592 387751528 /nfs/dbraw/zinc/75/15/28/387751528.db2.gz NTUPHZUMFZFNML-JTQLQIEISA-N 2 0 247.342 1.774 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000422873312 387753029 /nfs/dbraw/zinc/75/30/29/387753029.db2.gz KZKOYQCRYSZTAB-BLFANLJRSA-N 2 0 225.380 1.185 20 0 BDADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000422879897 387754333 /nfs/dbraw/zinc/75/43/33/387754333.db2.gz WBSISLKSWHPWSO-XWUBHJNHSA-N 2 0 237.391 1.186 20 0 BDADRP C(CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[NH+]1CCCC1 ZINC000422795086 387697238 /nfs/dbraw/zinc/69/72/38/387697238.db2.gz ZQZBMOJBQHTTMN-PBWFPOADSA-N 2 0 237.391 1.345 20 0 BDADRP COCc1ccccc1C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422799916 387699010 /nfs/dbraw/zinc/69/90/10/387699010.db2.gz AJOZLPICRYOOID-LLVKDONJSA-N 2 0 234.343 1.531 20 0 BDADRP CC(C)C[C@@H](CCO)C[NH2+][C@@H](C)CCC[NH3+] ZINC000422800748 387700397 /nfs/dbraw/zinc/70/03/97/387700397.db2.gz AFFHSDUUCAOTGH-QWHCGFSZSA-N 2 0 230.396 1.748 20 0 BDADRP CC[C@@H]([NH2+]CCCn1cccn1)[C@@H]1CCC[NH2+]1 ZINC000422805412 387704111 /nfs/dbraw/zinc/70/41/11/387704111.db2.gz GRSDYXNBDWWMHW-OLZOCXBDSA-N 2 0 236.363 1.393 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)NCC[NH+]1CCCCC1 ZINC000422807942 387705042 /nfs/dbraw/zinc/70/50/42/387705042.db2.gz KMVOJYZAPRRCEE-NEPJUHHUSA-N 2 0 213.369 1.188 20 0 BDADRP CO[C@H](C[NH2+][C@H](C)CCC[NH3+])C(C)(C)C ZINC000422806608 387705574 /nfs/dbraw/zinc/70/55/74/387705574.db2.gz IMKZEYKXDCKMQL-GHMZBOCLSA-N 2 0 216.369 1.765 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)C(C)C ZINC000422806365 387706307 /nfs/dbraw/zinc/70/63/07/387706307.db2.gz KMRXSBOXCGKSBI-RWMBFGLXSA-N 2 0 228.380 1.635 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000422809446 387707105 /nfs/dbraw/zinc/70/71/05/387707105.db2.gz PUAGFOGPVKWYDZ-CYBMUJFWSA-N 3 0 249.402 1.965 20 0 BDADRP CC(C)(C)NC(=O)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422810221 387707954 /nfs/dbraw/zinc/70/79/54/387707954.db2.gz NAISFIXZCHKJFO-UHFFFAOYSA-N 2 0 241.379 1.008 20 0 BDADRP CO[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])C(C)C ZINC000422808596 387708059 /nfs/dbraw/zinc/70/80/59/387708059.db2.gz OOLJXUHUWNZYRR-GARJFASQSA-N 2 0 202.342 1.373 20 0 BDADRP C[NH+](C)[C@@H]1CCC[N@H+](CCCCCO)CC1 ZINC000377267430 387708229 /nfs/dbraw/zinc/70/82/29/387708229.db2.gz PGPIXJBWBXJXTE-CYBMUJFWSA-N 2 0 228.380 1.565 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CCC[C@H]1[NH3+])C(C)(C)C ZINC000422811563 387709602 /nfs/dbraw/zinc/70/96/02/387709602.db2.gz PEDUGZJXCRPAOK-GMTAPVOTSA-N 2 0 214.353 1.517 20 0 BDADRP CCC(CC)(CCO)C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422813074 387710384 /nfs/dbraw/zinc/71/03/84/387710384.db2.gz RKBFOGPGALYIJU-NEPJUHHUSA-N 2 0 230.396 1.891 20 0 BDADRP CC[C@@H]([NH2+][C@H](C)CCC[NH3+])C1CCOCC1 ZINC000422813463 387710671 /nfs/dbraw/zinc/71/06/71/387710671.db2.gz RZZIPAAAYUIQNC-DGCLKSJQSA-N 2 0 228.380 1.909 20 0 BDADRP CCC1(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])CCOCC1 ZINC000422814174 387710717 /nfs/dbraw/zinc/71/07/17/387710717.db2.gz TYBJYKMWSCYIKI-NWDGAFQWSA-N 2 0 226.364 1.663 20 0 BDADRP CCO[C@H](CC[NH2+][C@@H]1CCC[C@@H]1[NH3+])C(C)C ZINC000422813798 387711672 /nfs/dbraw/zinc/71/16/72/387711672.db2.gz SKSSUCUVEUCEPH-YNEHKIRRSA-N 2 0 228.380 1.907 20 0 BDADRP CCCCOCCOCC[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422813153 387712085 /nfs/dbraw/zinc/71/20/85/387712085.db2.gz XPTWUWWMPTVCAH-CHWSQXEVSA-N 2 0 244.379 1.289 20 0 BDADRP C[C@@H](C(=O)Nc1cccc2c1C[NH2+]CC2)[C@H](C)[NH3+] ZINC000367513879 387718148 /nfs/dbraw/zinc/71/81/48/387718148.db2.gz OUFPHNUJIJWSLG-ZJUUUORDSA-N 2 0 247.342 1.254 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCCSC1 ZINC000422818982 387718588 /nfs/dbraw/zinc/71/85/88/387718588.db2.gz LWLZCJYNEDKPHL-IVZWLZJFSA-N 2 0 202.367 1.597 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCc1cccnc1 ZINC000422824013 387719794 /nfs/dbraw/zinc/71/97/94/387719794.db2.gz FXTSLLYVHCYBKK-KBPBESRZSA-N 2 0 233.359 1.874 20 0 BDADRP CCC[N@H+](CC)CCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000422828115 387724438 /nfs/dbraw/zinc/72/44/38/387724438.db2.gz SVVDCGCXIUNUDV-KGLIPLIRSA-N 2 0 241.423 1.968 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@]1(N(C)C)CCSC1 ZINC000422832521 387725404 /nfs/dbraw/zinc/72/54/04/387725404.db2.gz XVMKAYIHYCXSFU-VXGBXAGGSA-N 2 0 245.436 1.141 20 0 BDADRP C[C@H](Cc1ccncc1)[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422832818 387726695 /nfs/dbraw/zinc/72/66/95/387726695.db2.gz GDSSAGYDJFEBHU-QJPTWQEYSA-N 2 0 221.348 1.728 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)N[C@@H](C)C[NH+]1CCCCC1 ZINC000422838087 387729448 /nfs/dbraw/zinc/72/94/48/387729448.db2.gz VZTUCJMTGTXXLE-AVGNSLFASA-N 2 0 227.396 1.576 20 0 BDADRP CC(C)[C@H](O)CC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422789779 387730776 /nfs/dbraw/zinc/73/07/76/387730776.db2.gz WYTSWMAZJQPLPX-YNEHKIRRSA-N 2 0 228.380 1.371 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCc1cc(F)cc(F)c1 ZINC000422844255 387731935 /nfs/dbraw/zinc/73/19/35/387731935.db2.gz LIGWSAUVRFLXAL-OLZOCXBDSA-N 2 0 240.297 1.977 20 0 BDADRP [NH3+]CC1CCC([NH2+]CCc2nccs2)CC1 ZINC000422840192 387732437 /nfs/dbraw/zinc/73/24/37/387732437.db2.gz SGFQIFPUSPYYKB-UHFFFAOYSA-N 2 0 239.388 1.793 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000527813883 387735575 /nfs/dbraw/zinc/73/55/75/387735575.db2.gz ZLYPBMGDQFPSSP-YUTCNCBUSA-N 2 0 238.375 1.770 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCCOC1 ZINC000422855593 387737154 /nfs/dbraw/zinc/73/71/54/387737154.db2.gz CODPDARBERRPKO-TUAOUCFPSA-N 2 0 212.337 1.415 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)CO[C@H]1CCOC1 ZINC000422858944 387740025 /nfs/dbraw/zinc/74/00/25/387740025.db2.gz GTYOQACOMSOLAU-UPJWGTAASA-N 2 0 244.379 1.288 20 0 BDADRP CC[C@@H]([NH2+]CC[C@@H](O)CC)[C@@H]1CCC[NH2+]1 ZINC000422890557 387764429 /nfs/dbraw/zinc/76/44/29/387764429.db2.gz INTZKKBCZMQVAA-TUAOUCFPSA-N 2 0 214.353 1.268 20 0 BDADRP CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@H](C)[NH3+])C1(C)C ZINC000643527518 387766088 /nfs/dbraw/zinc/76/60/88/387766088.db2.gz NWAGCCZMUOYEQZ-HBNTYKKESA-N 2 0 214.353 1.515 20 0 BDADRP CCc1nc(CC[NH2+][C@@H](C)CCC[NH3+])cs1 ZINC000422898346 387766492 /nfs/dbraw/zinc/76/64/92/387766492.db2.gz DUYLVPXCHDMGAG-JTQLQIEISA-N 2 0 241.404 1.965 20 0 BDADRP C[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000643527638 387768258 /nfs/dbraw/zinc/76/82/58/387768258.db2.gz PWOLDJNUGDKCFX-QNWHQSFQSA-N 2 0 226.364 1.519 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CN[C@@H](C)C[C@@H](C)[NH3+] ZINC000422910279 387769820 /nfs/dbraw/zinc/76/98/20/387769820.db2.gz QDIWCILGBBICFQ-FRRDWIJNSA-N 2 0 227.396 1.576 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422915039 387771045 /nfs/dbraw/zinc/77/10/45/387771045.db2.gz AMJMKPUFFJMUPM-AGIUHOORSA-N 2 0 228.380 1.515 20 0 BDADRP C[C@@H]([NH3+])C[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000643528741 387772399 /nfs/dbraw/zinc/77/23/99/387772399.db2.gz ODBDXVAKAAFHFI-PELKAZGASA-N 2 0 224.735 1.744 20 0 BDADRP C[C@H]([NH3+])C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000643528758 387773258 /nfs/dbraw/zinc/77/32/58/387773258.db2.gz OEPAFBNNLBYINE-LBPRGKRZSA-N 2 0 233.359 1.592 20 0 BDADRP C[C@@H](CCCCO)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000643532545 387812231 /nfs/dbraw/zinc/81/22/31/387812231.db2.gz VRXXRONORAEFDV-IHRRRGAJSA-N 2 0 242.407 1.892 20 0 BDADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422920058 387775911 /nfs/dbraw/zinc/77/59/11/387775911.db2.gz LMUJJRWUCLGWKC-MQYQWHSLSA-N 2 0 240.391 1.907 20 0 BDADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422921238 387776104 /nfs/dbraw/zinc/77/61/04/387776104.db2.gz PGWGXHMGTQXPPF-BZPMIXESSA-N 2 0 240.391 1.635 20 0 BDADRP CC(C)C1(C[NH2+][C@H]2CCOC[C@@H]2[C@H](C)[NH3+])CC1 ZINC000422919338 387776129 /nfs/dbraw/zinc/77/61/29/387776129.db2.gz JPUOQAONGWAHGR-XQQFMLRXSA-N 2 0 240.391 1.765 20 0 BDADRP C[C@H]([NH2+][C@H]1C[C@H]1Cc1ccccc1)C1C[NH2+]C1 ZINC000422921880 387777548 /nfs/dbraw/zinc/77/75/48/387777548.db2.gz PIYIVVFBJUFPBD-LNSITVRQSA-N 2 0 230.355 1.815 20 0 BDADRP C[C@@H]([NH3+])C[NH2+][C@H](C)CCCc1cccnc1 ZINC000643529719 387777700 /nfs/dbraw/zinc/77/77/00/387777700.db2.gz QIBALCDLDYVPFS-VXGBXAGGSA-N 2 0 221.348 1.730 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CC(C)(C)C(C)(C)O ZINC000393700440 387780307 /nfs/dbraw/zinc/78/03/07/387780307.db2.gz SVNXMVRCVUIDOS-LLVKDONJSA-N 2 0 246.395 1.127 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCN(c2ccccn2)C1 ZINC000422963908 387813649 /nfs/dbraw/zinc/81/36/49/387813649.db2.gz HGAXUTAZLNPZHX-AVGNSLFASA-N 2 0 248.374 1.376 20 0 BDADRP COC[C@H]([NH2+]C1CCC(C[NH3+])CC1)C1CC1 ZINC000422936591 387783076 /nfs/dbraw/zinc/78/30/76/387783076.db2.gz MSIFFSPCNJETDC-GDKBPFBDSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@](C)(O)C1CC1 ZINC000422982436 387794366 /nfs/dbraw/zinc/79/43/66/387794366.db2.gz WTQBQBZXBKCTEM-RTXFEEFZSA-N 2 0 226.364 1.125 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H](CO)c1cccc(F)c1 ZINC000422985621 387795033 /nfs/dbraw/zinc/79/50/33/387795033.db2.gz FMFQKNWAACZWSF-ZWNOBZJWSA-N 2 0 240.322 1.576 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC[C@@H]1CCCOC1 ZINC000527931572 387795209 /nfs/dbraw/zinc/79/52/09/387795209.db2.gz SZBITTKMMQBHFW-HZSPNIEDSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H](CO)c1cccc(F)c1 ZINC000422985620 387795389 /nfs/dbraw/zinc/79/53/89/387795389.db2.gz FMFQKNWAACZWSF-MFKMUULPSA-N 2 0 240.322 1.576 20 0 BDADRP CC[C@@H]([NH2+]CC1(CCO)CCC1)[C@@H]1CCC[NH2+]1 ZINC000422986404 387796072 /nfs/dbraw/zinc/79/60/72/387796072.db2.gz CLHUOYUEDOWKDJ-OLZOCXBDSA-N 2 0 240.391 1.659 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCO[C@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000422989766 387797685 /nfs/dbraw/zinc/79/76/85/387797685.db2.gz MKVPZFJLQHDQAW-YIYPIFLZSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCO[C@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000422989767 387798683 /nfs/dbraw/zinc/79/86/83/387798683.db2.gz MKVPZFJLQHDQAW-ZOBORPQBSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCOc1ncccc1F ZINC000422992980 387799533 /nfs/dbraw/zinc/79/95/33/387799533.db2.gz DQWARZQNWQHSEY-ZJUUUORDSA-N 2 0 241.310 1.315 20 0 BDADRP C[C@@H]([NH2+]CC1(CCO)CCC1)[C@H]1CCCC[NH2+]1 ZINC000422991827 387799716 /nfs/dbraw/zinc/79/97/16/387799716.db2.gz QEIVMLVFRSECMT-CHWSQXEVSA-N 2 0 240.391 1.659 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CCOc1ncccc1F ZINC000422990926 387800881 /nfs/dbraw/zinc/80/08/81/387800881.db2.gz AKKQGFLVKTWTMF-SNVBAGLBSA-N 2 0 241.310 1.317 20 0 BDADRP C[C@H]([NH2+]CCC[C@@H]1CCCC[C@H]1O)C1C[NH2+]C1 ZINC000422991350 387801104 /nfs/dbraw/zinc/80/11/04/387801104.db2.gz PKSRSMBXXVCDTE-SGMGOOAPSA-N 2 0 240.391 1.515 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCc2ccccc2C1)C1C[NH2+]C1 ZINC000643477991 387801301 /nfs/dbraw/zinc/80/13/01/387801301.db2.gz MLBORIVJNGEIEH-STQMWFEESA-N 2 0 244.382 1.989 20 0 BDADRP CCOCCC1(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000422999021 387804373 /nfs/dbraw/zinc/80/43/73/387804373.db2.gz DLTGEXYOBNWBJB-STQMWFEESA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)CCO1 ZINC000422999336 387804667 /nfs/dbraw/zinc/80/46/67/387804667.db2.gz XSQVMBIGPQHPDI-SYQHCUMBSA-N 2 0 240.391 1.779 20 0 BDADRP CCOCCC1(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000422999019 387805101 /nfs/dbraw/zinc/80/51/01/387805101.db2.gz DLTGEXYOBNWBJB-OLZOCXBDSA-N 2 0 240.391 1.923 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422998010 387805830 /nfs/dbraw/zinc/80/58/30/387805830.db2.gz VYIDRRVIRZWOHF-CRWXNKLISA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC(C)(C)CCCO ZINC000422999800 387805935 /nfs/dbraw/zinc/80/59/35/387805935.db2.gz YLGKIUNACRPLDV-QWRGUYRKSA-N 2 0 216.369 1.501 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000423001999 387806679 /nfs/dbraw/zinc/80/66/79/387806679.db2.gz FNGYGIOXNILQJO-XUXIUFHCSA-N 2 0 240.391 1.515 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCOC1CCCCC1 ZINC000422949159 387807654 /nfs/dbraw/zinc/80/76/54/387807654.db2.gz UFTWFYSCHANXEM-CHWSQXEVSA-N 2 0 226.364 1.805 20 0 BDADRP CCOc1ncccc1C[NH2+][C@@H](C)CCC[NH3+] ZINC000422961432 387811417 /nfs/dbraw/zinc/81/14/17/387811417.db2.gz BWWPGAXWCXXQKQ-NSHDSACASA-N 2 0 237.347 1.697 20 0 BDADRP CC[C@H](CN[C@@H]1C[NH2+]CC[C@H]1C)[NH+]1CCCC1 ZINC000422961231 387811482 /nfs/dbraw/zinc/81/14/82/387811482.db2.gz BEEJXBVQOQOPTQ-MGPQQGTHSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H](N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000422880916 387757631 /nfs/dbraw/zinc/75/76/31/387757631.db2.gz XUEMCGTWQYRBRU-OXHZDVMGSA-N 2 0 237.391 1.199 20 0 BDADRP CC[N@H+](CCN[C@H]1C[NH2+]CC[C@@H]1C)C(C)C ZINC000422881973 387758343 /nfs/dbraw/zinc/75/83/43/387758343.db2.gz RLKKSGAYLGCPLS-STQMWFEESA-N 2 0 227.396 1.304 20 0 BDADRP C[C@H]([NH3+])CN[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000643527047 387759388 /nfs/dbraw/zinc/75/93/88/387759388.db2.gz CGFGHOLDIPYJPE-GUTXKFCHSA-N 2 0 247.386 1.586 20 0 BDADRP CCCC(O)(CCC)C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422975004 387822845 /nfs/dbraw/zinc/82/28/45/387822845.db2.gz GCCUQIVGAIJADV-NWDGAFQWSA-N 2 0 228.380 1.787 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](CCO)c1ccccc1 ZINC000422975275 387823407 /nfs/dbraw/zinc/82/34/07/387823407.db2.gz GJJFHHXMGRXEAG-SGMGOOAPSA-N 2 0 236.359 1.826 20 0 BDADRP CCC[N@@H+]1CC[C@H](CN[C@@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000422975079 387823714 /nfs/dbraw/zinc/82/37/14/387823714.db2.gz SHROYWZXLZCQRG-BFHYXJOUSA-N 2 0 239.407 1.448 20 0 BDADRP COc1cccc(CC[NH2+][C@H](C)C[C@@H](C)[NH3+])n1 ZINC000423005026 387825480 /nfs/dbraw/zinc/82/54/80/387825480.db2.gz LMTJHSRFCARNSM-GHMZBOCLSA-N 2 0 237.347 1.348 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H](O)C1)[C@H]1CCC[NH2+]1 ZINC000423005037 387825545 /nfs/dbraw/zinc/82/55/45/387825545.db2.gz LOEZCUDIMHPADK-WUHRBBMRSA-N 2 0 226.364 1.268 20 0 BDADRP Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cn1 ZINC000162304669 387826252 /nfs/dbraw/zinc/82/62/52/387826252.db2.gz JKJUWQZSVRBYSR-WCQYABFASA-N 2 0 219.332 1.559 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CCNc1ccccn1 ZINC000423004341 387826783 /nfs/dbraw/zinc/82/67/83/387826783.db2.gz JUZDKISNNCNQDJ-LBPRGKRZSA-N 2 0 236.363 1.601 20 0 BDADRP C[C@H]([NH2+]CC1(CCO)CCCCC1)C1C[NH2+]C1 ZINC000423007756 387828424 /nfs/dbraw/zinc/82/84/24/387828424.db2.gz RMDBIZOXYAJVNM-LBPRGKRZSA-N 2 0 240.391 1.517 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCC[NH2+]1 ZINC000423006057 387830175 /nfs/dbraw/zinc/83/01/75/387830175.db2.gz NVDGMAOUVPZCRZ-MQYQWHSLSA-N 2 0 240.391 1.658 20 0 BDADRP CC[C@H]([NH2+]CCC[C@@H](C)CO)[C@@H]1CCC[NH2+]1 ZINC000423012793 387836694 /nfs/dbraw/zinc/83/66/94/387836694.db2.gz LKZZENXQXZXWFH-AGIUHOORSA-N 2 0 228.380 1.515 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000423013344 387836779 /nfs/dbraw/zinc/83/67/79/387836779.db2.gz MQVMORXUNZLODG-AVGNSLFASA-N 2 0 228.380 1.373 20 0 BDADRP CO[C@@H]1CCC[C@H]1C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423013144 387836801 /nfs/dbraw/zinc/83/68/01/387836801.db2.gz FFENVEBAYRSRKQ-IGQOVBAYSA-N 2 0 240.391 1.922 20 0 BDADRP Cc1cncc(C[NH2+][C@@H](C)CCC[NH3+])c1 ZINC000423015279 387838849 /nfs/dbraw/zinc/83/88/49/387838849.db2.gz QQCMMGRYFNZKFL-NSHDSACASA-N 2 0 207.321 1.607 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CCN1CCCC(C)(C)C1 ZINC000423075061 387873573 /nfs/dbraw/zinc/87/35/73/387873573.db2.gz NJTKQVSERLNQCC-CYBMUJFWSA-N 2 0 241.423 1.825 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCSCC(F)(F)F ZINC000423018963 387841654 /nfs/dbraw/zinc/84/16/54/387841654.db2.gz SQXXOLLTEIBEGH-JGVFFNPUSA-N 2 0 244.326 1.997 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(Cl)cn1 ZINC000423018959 387842203 /nfs/dbraw/zinc/84/22/03/387842203.db2.gz SPYNZMFCQBGISQ-VIFPVBQESA-N 2 0 227.739 1.952 20 0 BDADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCC[C@@H]2[NH3+])CCO1 ZINC000423027639 387843477 /nfs/dbraw/zinc/84/34/77/387843477.db2.gz DUAHGIWSTNTKMU-FVCCEPFGSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@H](CCN[C@H](C)C1C[NH2+]C1)[NH+]1CCCCC1 ZINC000423026497 387843501 /nfs/dbraw/zinc/84/35/01/387843501.db2.gz BJPYKJDDPRSGGR-CHWSQXEVSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]1[C@H]([NH2+][C@H]2CCC[NH2+]CC2)CCCN1C ZINC000423025935 387843537 /nfs/dbraw/zinc/84/35/37/387843537.db2.gz AGUUNOARTQFGNU-FRRDWIJNSA-N 2 0 225.380 1.201 20 0 BDADRP CC1(C)C[C@@H]1[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423027735 387843787 /nfs/dbraw/zinc/84/37/87/387843787.db2.gz POQFPFSOLGINEF-LPWJVIDDSA-N 2 0 238.375 1.532 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000423026165 387843860 /nfs/dbraw/zinc/84/38/60/387843860.db2.gz AUSUGHWISPWTIG-ZNMIVQPWSA-N 2 0 248.370 1.450 20 0 BDADRP C[C@H](CCN[C@@H](C)C[C@H](C)[NH3+])[NH+]1CCCCC1 ZINC000423026834 387844033 /nfs/dbraw/zinc/84/40/33/387844033.db2.gz CEBJZNVAWUKFTC-MELADBBJSA-N 2 0 241.423 1.966 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)CCc1ccccc1 ZINC000423026162 387844745 /nfs/dbraw/zinc/84/47/45/387844745.db2.gz AUSUGHWISPWTIG-KFWWJZLASA-N 2 0 248.370 1.450 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CCOC1)[C@H]1CCCC[NH2+]1 ZINC000423030932 387846564 /nfs/dbraw/zinc/84/65/64/387846564.db2.gz KISCTQCXYBDGDA-JHJVBQTASA-N 2 0 226.364 1.533 20 0 BDADRP CC[C@H]([NH2+]CC[C@@H]1CCOC1)[C@@H]1CCC[NH2+]1 ZINC000423031959 387848721 /nfs/dbraw/zinc/84/87/21/387848721.db2.gz LVWWDZDFZQUXMG-AGIUHOORSA-N 2 0 226.364 1.533 20 0 BDADRP CS[C@@H](C[NH2+][C@@H](C)C1C[NH2+]C1)C(C)(C)C ZINC000423033668 387849083 /nfs/dbraw/zinc/84/90/83/387849083.db2.gz OVXVIXLUUAXSBF-ONGXEEELSA-N 2 0 230.421 1.962 20 0 BDADRP CC[C@@H]([NH2+]CC[C@@H]1CCOC1)[C@@H]1CCC[NH2+]1 ZINC000423031961 387849538 /nfs/dbraw/zinc/84/95/38/387849538.db2.gz LVWWDZDFZQUXMG-UPJWGTAASA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCN(C)[C@H]1C ZINC000423034251 387849732 /nfs/dbraw/zinc/84/97/32/387849732.db2.gz PQGYXWQDTSVAKB-FRRDWIJNSA-N 2 0 227.396 1.576 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423074843 387874022 /nfs/dbraw/zinc/87/40/22/387874022.db2.gz VPNYAGBXHQBDRA-DMOGRIERSA-N 2 0 214.353 1.517 20 0 BDADRP CC1=CCN(CC[NH2+][C@@H]2CCC[NH2+]CC2)CC1 ZINC000423035734 387850783 /nfs/dbraw/zinc/85/07/83/387850783.db2.gz JWNHVSYOMLXTLZ-CQSZACIVSA-N 2 0 237.391 1.370 20 0 BDADRP CC1=CCN(CC[NH2+][C@H]2CCC[C@H]2[NH3+])CC1 ZINC000423039145 387852658 /nfs/dbraw/zinc/85/26/58/387852658.db2.gz PXZPMTDXTHEKLU-OLZOCXBDSA-N 2 0 223.364 1.108 20 0 BDADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)[C@@H]1CCC[NH2+]1 ZINC000423040807 387852950 /nfs/dbraw/zinc/85/29/50/387852950.db2.gz IAFVKNMKBIPRLI-RVMXOQNASA-N 2 0 226.364 1.532 20 0 BDADRP CC(C)OCC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000423041131 387853559 /nfs/dbraw/zinc/85/35/59/387853559.db2.gz WDZZBMRSYUMCPZ-NEPJUHHUSA-N 2 0 214.353 1.389 20 0 BDADRP C[N@H+]1C[C@H]2CN(Cc3ccncc3)C[C@H]2C1 ZINC000193650867 387859450 /nfs/dbraw/zinc/85/94/50/387859450.db2.gz LLGFZRDGJIITKG-BETUJISGSA-N 2 0 217.316 1.075 20 0 BDADRP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000423051459 387860826 /nfs/dbraw/zinc/86/08/26/387860826.db2.gz NJWHGJCFGRTCMQ-UBHSHLNASA-N 2 0 240.391 1.778 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cnn(C)c1 ZINC000643535055 387861288 /nfs/dbraw/zinc/86/12/88/387861288.db2.gz IIIWZNNVLWEKTH-QWHCGFSZSA-N 2 0 248.374 1.603 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000423073446 387874467 /nfs/dbraw/zinc/87/44/67/387874467.db2.gz IRIWQFLVKUDFBJ-OCCSQVGLSA-N 2 0 239.407 1.720 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC1(CO)CCCC1 ZINC000423057596 387861822 /nfs/dbraw/zinc/86/18/22/387861822.db2.gz ZRBHUZOHJKMCGK-MNOVXSKESA-N 2 0 214.353 1.255 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000423003100 387863579 /nfs/dbraw/zinc/86/35/79/387863579.db2.gz GXMKXSXESSLCGA-ZDEQEGDKSA-N 2 0 226.364 1.255 20 0 BDADRP CC[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@H]12)[C@@H]1CCC[NH2+]1 ZINC000423061269 387864821 /nfs/dbraw/zinc/86/48/21/387864821.db2.gz QIWWPJIKYOKTOY-MBJXGIAVSA-N 2 0 238.375 1.674 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@@H]12)[C@@H]1CCCC[NH2+]1 ZINC000423062123 387867136 /nfs/dbraw/zinc/86/71/36/387867136.db2.gz SMKNEUGHOXZNDK-QSLWVIQJSA-N 2 0 238.375 1.674 20 0 BDADRP CC1(C)[C@H](O)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423066160 387868939 /nfs/dbraw/zinc/86/89/39/387868939.db2.gz WFBXNLWWRQGKNF-FXVHWTKVSA-N 2 0 224.348 1.018 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000423065323 387869479 /nfs/dbraw/zinc/86/94/79/387869479.db2.gz UBQONFUTLYKTHR-WRWGMCAJSA-N 2 0 226.364 1.124 20 0 BDADRP CO[C@@H]1CC[C@H]([NH2+][C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000423067469 387869822 /nfs/dbraw/zinc/86/98/22/387869822.db2.gz HEPQVTBSUJDMAZ-LOWDOPEQSA-N 2 0 226.364 1.804 20 0 BDADRP Cc1cccc(C[C@H](CO)[NH2+][C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000423066483 387869925 /nfs/dbraw/zinc/86/99/25/387869925.db2.gz DUEOZOCRIKPMCF-QLFBSQMISA-N 2 0 248.370 1.368 20 0 BDADRP CC[N@H+](CCNC(=O)[C@H](C[NH3+])C(C)C)C(C)C ZINC000433148390 387872134 /nfs/dbraw/zinc/87/21/34/387872134.db2.gz AOALPVHMDNYZIJ-GFCCVEGCSA-N 2 0 243.395 1.064 20 0 BDADRP CC(C)[N@@H+](C)CCCN[C@@H](C)C[C@@H](C)[NH3+] ZINC000422963147 387814028 /nfs/dbraw/zinc/81/40/28/387814028.db2.gz HRPIBUXEQUJDNJ-NEPJUHHUSA-N 2 0 215.385 1.432 20 0 BDADRP COc1ccc([C@@H]2CCN(C[C@H](C)[NH3+])C2)cc1 ZINC000442658969 387814084 /nfs/dbraw/zinc/81/40/84/387814084.db2.gz AMQPSZJQMMDHPP-WCQYABFASA-N 2 0 234.343 1.832 20 0 BDADRP CC[C@H](CN[C@@H](C)C[C@@H](C)[NH3+])[NH+]1CCCC1 ZINC000422964052 387814310 /nfs/dbraw/zinc/81/43/10/387814310.db2.gz KJNVMSAJIUWBHM-FRRDWIJNSA-N 2 0 227.396 1.576 20 0 BDADRP CC[C@@H](C[NH2+][C@@H](C)CCCC[NH3+])N1CCCC1 ZINC000422962877 387814416 /nfs/dbraw/zinc/81/44/16/387814416.db2.gz GXVGATFUECMVFM-KBPBESRZSA-N 2 0 241.423 1.968 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCc1ccc(CO)cc1 ZINC000643478216 387814869 /nfs/dbraw/zinc/81/48/69/387814869.db2.gz FVMHSBAQQWTISF-KGLIPLIRSA-N 2 0 234.343 1.191 20 0 BDADRP CCC(O)(CC)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423070709 387872630 /nfs/dbraw/zinc/87/26/30/387872630.db2.gz NKOWZVFMOQRGCJ-FUNVUKJBSA-N 2 0 240.391 1.800 20 0 BDADRP CC[NH+]1CCC([NH2+]CC23CC(C2)CO3)CC1 ZINC000527976328 387816480 /nfs/dbraw/zinc/81/64/80/387816480.db2.gz DSMGVQRPZHPAKB-UHFFFAOYSA-N 2 0 224.348 1.239 20 0 BDADRP COc1cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])ccn1 ZINC000422968234 387816868 /nfs/dbraw/zinc/81/68/68/387816868.db2.gz VSQAKIFXDUGYPP-ZJUUUORDSA-N 2 0 223.320 1.306 20 0 BDADRP CC[N@@H+]1CC[C@H](N(C)C[C@H](C)[NH3+])C[C@H]1C ZINC000442666662 387818834 /nfs/dbraw/zinc/81/88/34/387818834.db2.gz VWGNDIYRABCNMW-TUAOUCFPSA-N 2 0 213.369 1.138 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000422969257 387819305 /nfs/dbraw/zinc/81/93/05/387819305.db2.gz ZIULBFXMUZZKFW-KGLIPLIRSA-N 2 0 241.423 1.966 20 0 BDADRP C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423102292 387889833 /nfs/dbraw/zinc/88/98/33/387889833.db2.gz DYPDRNIJCPWMMA-REWJHTLYSA-N 2 0 240.391 1.637 20 0 BDADRP C[C@@H]([NH2+]C[C@](C)(CO)c1ccccc1)C1C[NH2+]C1 ZINC000423114456 387897023 /nfs/dbraw/zinc/89/70/23/387897023.db2.gz VTSJDNPPNCIANO-IUODEOHRSA-N 2 0 248.370 1.134 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CSC[C@@H]1C ZINC000423115971 387898157 /nfs/dbraw/zinc/89/81/57/387898157.db2.gz ZHBDJRLKFDUFQD-XKNYDFJKSA-N 2 0 202.367 1.453 20 0 BDADRP CC[C@H]([NH2+]CCC1CC(O)C1)[C@@H]1CCC[NH2+]1 ZINC000423076264 387876786 /nfs/dbraw/zinc/87/67/86/387876786.db2.gz QPNKDGAJMJXSIB-TYUFSLCMSA-N 2 0 226.364 1.268 20 0 BDADRP CC[C@@](C)(C[NH2+]C[C@@H]1CCC[N@H+](C)C1)OC ZINC000322502276 387877400 /nfs/dbraw/zinc/87/74/00/387877400.db2.gz GKXVQPKNXTUNFX-STQMWFEESA-N 2 0 228.380 1.733 20 0 BDADRP CCN(CC)[C@H](C)C[NH2+][C@@H](C)CCC[NH3+] ZINC000423082894 387878138 /nfs/dbraw/zinc/87/81/38/387878138.db2.gz FCGOBKBJPIMKSS-NWDGAFQWSA-N 2 0 215.385 1.434 20 0 BDADRP CC[NH+](CC)[C@H](C)CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423083734 387879243 /nfs/dbraw/zinc/87/92/43/387879243.db2.gz GOGOHMWKRHCHFZ-HABKJSAYSA-N 2 0 239.407 1.589 20 0 BDADRP C[C@@H]([NH2+]Cc1ccc2ncccc2c1)C1C[NH2+]C1 ZINC000423086052 387880354 /nfs/dbraw/zinc/88/03/54/387880354.db2.gz MEDYZCZVRBFTRH-LLVKDONJSA-N 2 0 241.338 1.932 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@H]1CCSC1 ZINC000423085838 387880844 /nfs/dbraw/zinc/88/08/44/387880844.db2.gz LONNPJNWOXWDAL-UTUOFQBUSA-N 2 0 228.405 1.989 20 0 BDADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])C1 ZINC000423092836 387882226 /nfs/dbraw/zinc/88/22/26/387882226.db2.gz DPWGNUYRFPDBQR-KXNHARMFSA-N 2 0 242.363 1.434 20 0 BDADRP C[C@H]([NH2+]CCc1ccc2[nH]ccc2c1)C1C[NH2+]C1 ZINC000423101582 387888846 /nfs/dbraw/zinc/88/88/46/387888846.db2.gz NQIMBOORDKAVKC-NSHDSACASA-N 2 0 243.354 1.908 20 0 BDADRP Cc1cccc2c1OC[C@H]([NH2+][C@H]1CCC[C@@H]1[NH3+])C2 ZINC000423140545 387917812 /nfs/dbraw/zinc/91/78/12/387917812.db2.gz MNMYBLFSAITFJY-RDBSUJKOSA-N 2 0 246.354 1.768 20 0 BDADRP COc1ncccc1CC[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000423141058 387917852 /nfs/dbraw/zinc/91/78/52/387917852.db2.gz NSKDUTSLHDVZPK-DGCLKSJQSA-N 2 0 249.358 1.220 20 0 BDADRP CO[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])C1CC1 ZINC000423140208 387918601 /nfs/dbraw/zinc/91/86/01/387918601.db2.gz XTJUASFWGWLQJS-ATZCPNFKSA-N 2 0 200.326 1.127 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)N[C@H]1CCC[C@H]1C[NH3+] ZINC000423141908 387918651 /nfs/dbraw/zinc/91/86/51/387918651.db2.gz SJBCBHYYYCUREI-IHRRRGAJSA-N 2 0 241.423 1.824 20 0 BDADRP COCC[C@@H](COC)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423140255 387919012 /nfs/dbraw/zinc/91/90/12/387919012.db2.gz MDDNNBFJUOWDIG-BPCQOVAHSA-N 2 0 244.379 1.145 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCSC1 ZINC000423119247 387901106 /nfs/dbraw/zinc/90/11/06/387901106.db2.gz DKOSXULDXLWZSM-MXWKQRLJSA-N 2 0 214.378 1.599 20 0 BDADRP CCOCC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423123630 387902998 /nfs/dbraw/zinc/90/29/98/387902998.db2.gz NCJFTJWNIJXNIB-FUNVUKJBSA-N 2 0 240.391 1.922 20 0 BDADRP CCCCN(C)C[C@H](C)[NH2+][C@@H](C)CCC[NH3+] ZINC000423125480 387904638 /nfs/dbraw/zinc/90/46/38/387904638.db2.gz QQCSRWJZINVWKG-STQMWFEESA-N 2 0 229.412 1.824 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCc1cn[nH]c1 ZINC000423126617 387905529 /nfs/dbraw/zinc/90/55/29/387905529.db2.gz RYLVSZLXHAZGLU-NWDGAFQWSA-N 2 0 222.336 1.202 20 0 BDADRP CCCC[C@@H]([NH3+])C(=O)NCC[N@H+](CC)C(C)C ZINC000236743674 387906211 /nfs/dbraw/zinc/90/62/11/387906211.db2.gz YCKXNXADMVXWGX-GFCCVEGCSA-N 2 0 243.395 1.350 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000423132817 387909196 /nfs/dbraw/zinc/90/91/96/387909196.db2.gz UYZSOUWVLIZPTE-ZDCRXTMVSA-N 2 0 200.301 1.594 20 0 BDADRP CCC[N@H+](CC)C[C@@H](C)N[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423133159 387910193 /nfs/dbraw/zinc/91/01/93/387910193.db2.gz CHAZPGBTAQKELW-HZSPNIEDSA-N 2 0 241.423 1.837 20 0 BDADRP COCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000423134012 387911782 /nfs/dbraw/zinc/91/17/82/387911782.db2.gz REDYHAWIIDXISZ-VHSXEESVSA-N 2 0 200.326 1.128 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000423137610 387913816 /nfs/dbraw/zinc/91/38/16/387913816.db2.gz IHVLLOKAJCENAN-MXWKQRLJSA-N 2 0 200.326 1.142 20 0 BDADRP CC[C@H]([NH2+][C@H]1CC[C@@H](F)C1)[C@@H]1CCC[NH2+]1 ZINC000423136050 387914494 /nfs/dbraw/zinc/91/44/94/387914494.db2.gz YRSQDBIIYOOSMA-RHYQMDGZSA-N 2 0 214.328 1.997 20 0 BDADRP C[C@@H]([NH2+]CC[C@H](C)F)[C@@H]1CCCC[NH2+]1 ZINC000423135271 387914876 /nfs/dbraw/zinc/91/48/76/387914876.db2.gz NFBGQIPFNVCHRG-AXFHLTTASA-N 2 0 202.317 1.855 20 0 BDADRP COc1ncccc1CC[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423139029 387916835 /nfs/dbraw/zinc/91/68/35/387916835.db2.gz JZWXPBDPEXRWAH-GHMZBOCLSA-N 2 0 237.347 1.348 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCC[C@H]1CCOC1 ZINC000423153260 387932201 /nfs/dbraw/zinc/93/22/01/387932201.db2.gz HENHQHSDZSADFK-HZSPNIEDSA-N 2 0 240.391 1.781 20 0 BDADRP CC[C@@H]([NH2+]C1CCC(C[NH3+])CC1)[C@@H](O)CC ZINC000423154199 387932409 /nfs/dbraw/zinc/93/24/09/387932409.db2.gz IUGULCUJNNHGSM-TUUUFIMRSA-N 2 0 228.380 1.643 20 0 BDADRP Cc1cccnc1CCC[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000423155099 387934079 /nfs/dbraw/zinc/93/40/79/387934079.db2.gz PXUCBZRGBXGWLQ-JSGCOSHPSA-N 2 0 233.359 1.792 20 0 BDADRP CC[C@H](C)[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])OC ZINC000423155050 387934107 /nfs/dbraw/zinc/93/41/07/387934107.db2.gz ISMSACMNQKXLFJ-BJDJZHNGSA-N 2 0 216.369 1.763 20 0 BDADRP CC[C@H](C)[C@H](C[NH2+][C@@H](C)C[C@@H](C)[NH3+])OC ZINC000423155052 387934392 /nfs/dbraw/zinc/93/43/92/387934392.db2.gz ISMSACMNQKXLFJ-USZNOCQGSA-N 2 0 216.369 1.763 20 0 BDADRP CC[C@H]([NH2+]CCC(C)(C)CO)[C@@H]1CCC[NH2+]1 ZINC000423155639 387934649 /nfs/dbraw/zinc/93/46/49/387934649.db2.gz JPXBBUVABRIIAK-RYUDHWBXSA-N 2 0 228.380 1.515 20 0 BDADRP O[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423157108 387936627 /nfs/dbraw/zinc/93/66/27/387936627.db2.gz AHKJAXNJDIJJKY-RXGFPQBGSA-N 2 0 224.348 1.020 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCCC1CCOCC1 ZINC000423145144 387923367 /nfs/dbraw/zinc/92/33/67/387923367.db2.gz JGBKANNXFDWUNV-STQMWFEESA-N 2 0 226.364 1.663 20 0 BDADRP C[C@H]([NH2+]CCCC1CCOCC1)[C@H]1CCC[NH2+]1 ZINC000423150022 387927040 /nfs/dbraw/zinc/92/70/40/387927040.db2.gz YLWCKZCFEJXBNY-GXTWGEPZSA-N 2 0 240.391 1.923 20 0 BDADRP CCn1ccc(C[NH2+][C@@H](C)CCCC[NH3+])n1 ZINC000423167686 387951899 /nfs/dbraw/zinc/95/18/99/387951899.db2.gz FNJQEYZFRROARB-NSHDSACASA-N 2 0 224.352 1.510 20 0 BDADRP COCC1(C[NH2+][C@@H](C)CCC[NH3+])CCCC1 ZINC000423168324 387952048 /nfs/dbraw/zinc/95/20/48/387952048.db2.gz UIUDFPJCAKLKJX-LBPRGKRZSA-N 2 0 228.380 1.910 20 0 BDADRP CC(C)OCC[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424286689 387952327 /nfs/dbraw/zinc/95/23/27/387952327.db2.gz HUAYBHWFKUMKRS-CYBMUJFWSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1occc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000321189309 387956519 /nfs/dbraw/zinc/95/65/19/387956519.db2.gz FVMXTDULEKDPIO-UHFFFAOYSA-N 2 0 220.316 1.940 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000423170052 387953929 /nfs/dbraw/zinc/95/39/29/387953929.db2.gz XGKMCGIFOZRQHL-UTLUCORTSA-N 2 0 225.311 1.997 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423170112 387954216 /nfs/dbraw/zinc/95/42/16/387954216.db2.gz XNLFBTMTUOWJDE-IXOXFDKPSA-N 2 0 208.349 1.763 20 0 BDADRP CC[NH+]1CCC(NC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000044535184 387937651 /nfs/dbraw/zinc/93/76/51/387937651.db2.gz FCVWTAXSTRILTK-ZDUSSCGKSA-N 2 0 239.407 1.402 20 0 BDADRP Cc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[NH3+])nc1 ZINC000423158826 387939073 /nfs/dbraw/zinc/93/90/73/387939073.db2.gz DNMXTBLACVNNDO-QWHCGFSZSA-N 2 0 219.332 1.402 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000423158605 387939140 /nfs/dbraw/zinc/93/91/40/387939140.db2.gz OIQPJEOKJAKADD-AGIUHOORSA-N 2 0 228.380 1.645 20 0 BDADRP CC(C)[C@@H]1C[C@@H](C[NH2+][C@@H](C)C2C[NH2+]C2)CCO1 ZINC000423158136 387939764 /nfs/dbraw/zinc/93/97/64/387939764.db2.gz WJTCOUSWYSMCOB-OBJOEFQTSA-N 2 0 240.391 1.635 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)C[C@@H]2CCC[NH2+]2)c1 ZINC000424226350 387940152 /nfs/dbraw/zinc/94/01/52/387940152.db2.gz RNKKRBOGGLKJDF-LBPRGKRZSA-N 2 0 247.342 1.534 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000423159756 387940780 /nfs/dbraw/zinc/94/07/80/387940780.db2.gz GGBSONZHUJGTER-MROQNXINSA-N 2 0 208.349 1.750 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)[C@H](C)[NH2+]C2CC2)c1 ZINC000424237390 387941242 /nfs/dbraw/zinc/94/12/42/387941242.db2.gz KDQBSPKHCNNESY-JTQLQIEISA-N 2 0 247.342 1.533 20 0 BDADRP C[C@@H]1CCNC[C@@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000423160456 387941289 /nfs/dbraw/zinc/94/12/89/387941289.db2.gz HITONEYTTRXRIY-OCCSQVGLSA-N 2 0 239.407 1.448 20 0 BDADRP C[NH2+]C[C@H](C)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424243712 387942388 /nfs/dbraw/zinc/94/23/88/387942388.db2.gz QFIKCVAJXBZQNU-JTQLQIEISA-N 2 0 235.331 1.248 20 0 BDADRP C[NH2+]C[C@@H](C)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424243713 387942935 /nfs/dbraw/zinc/94/29/35/387942935.db2.gz QFIKCVAJXBZQNU-SNVBAGLBSA-N 2 0 235.331 1.248 20 0 BDADRP CO[C@H]([C@@H](C)[NH2+]C1CCC(C[NH3+])CC1)C1CC1 ZINC000423162300 387943196 /nfs/dbraw/zinc/94/31/96/387943196.db2.gz OZXOINKQNNMUAF-XXIIAIFYSA-N 2 0 240.391 1.907 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCC[C@H]1O)[C@H]1CCCC[NH2+]1 ZINC000423163255 387945926 /nfs/dbraw/zinc/94/59/26/387945926.db2.gz MHZXFBXFOPJMIZ-YVECIDJPSA-N 2 0 226.364 1.268 20 0 BDADRP COCC[C@@H](C)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423165605 387948754 /nfs/dbraw/zinc/94/87/54/387948754.db2.gz BGUSJERKBAFARG-UTUOFQBUSA-N 2 0 214.353 1.389 20 0 BDADRP COCC1(C[NH2+][C@@H]2CCC[C@H]2[NH3+])CCCC1 ZINC000423166598 387950996 /nfs/dbraw/zinc/95/09/96/387950996.db2.gz RFDFOIKCICSXAJ-VXGBXAGGSA-N 2 0 226.364 1.663 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000423170324 387958019 /nfs/dbraw/zinc/95/80/19/387958019.db2.gz LPGAUAPLKRVLMD-YNEHKIRRSA-N 3 0 227.396 1.434 20 0 BDADRP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccn(C)n1 ZINC000423172488 387959695 /nfs/dbraw/zinc/95/96/95/387959695.db2.gz TXAFBOUUTMWXFC-UNXYVOJBSA-N 2 0 236.363 1.588 20 0 BDADRP COCC1CCC([NH2+][C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000423177366 387964061 /nfs/dbraw/zinc/96/40/61/387964061.db2.gz HIXJATIUQKUFDE-IALDZJHCSA-N 2 0 228.380 1.907 20 0 BDADRP COc1ccc(C[C@H](C)[NH2+]C2CC[NH2+]CC2)cn1 ZINC000423178055 387964609 /nfs/dbraw/zinc/96/46/09/387964609.db2.gz FOWUQJSEAFKRPM-NSHDSACASA-N 2 0 249.358 1.363 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1F ZINC000423184133 387970025 /nfs/dbraw/zinc/97/00/25/387970025.db2.gz MZQOGNPKKOLENL-GWOFURMSSA-N 2 0 202.317 1.983 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)NCC1([NH3+])CCCCC1 ZINC000423185027 387970566 /nfs/dbraw/zinc/97/05/66/387970566.db2.gz UNQSFPROBHBSKE-GHMZBOCLSA-N 2 0 213.369 1.363 20 0 BDADRP C(C[NH2+][C@@H]1CCC12CCC2)CN1CC[NH2+]CC1 ZINC000423186479 387971349 /nfs/dbraw/zinc/97/13/49/387971349.db2.gz OJYSZLMAUIHQBZ-CYBMUJFWSA-N 2 0 237.391 1.204 20 0 BDADRP C[NH2+]CCC[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000423186639 387971698 /nfs/dbraw/zinc/97/16/98/387971698.db2.gz LIXRBNHXEJLXNH-SNVBAGLBSA-N 2 0 236.315 1.675 20 0 BDADRP CCC[N@@H+]1CC[C@@H](CN[C@H](C)c2ccncn2)C1 ZINC000453090652 387981508 /nfs/dbraw/zinc/98/15/08/387981508.db2.gz KQIVCKKOCCUEGX-OLZOCXBDSA-N 2 0 248.374 1.859 20 0 BDADRP COc1cccc(C[C@H]([NH2+]CCC[NH3+])C2CC2)c1 ZINC000423189136 387974238 /nfs/dbraw/zinc/97/42/38/387974238.db2.gz MLUVLNRLGLMTGG-HNNXBMFYSA-N 2 0 248.370 1.955 20 0 BDADRP C[C@@H]([NH3+])Cc1nc(C2([NH3+])CCCCC2)no1 ZINC000424333218 387977252 /nfs/dbraw/zinc/97/72/52/387977252.db2.gz DDRFSKFCVLFSHZ-MRVPVSSYSA-N 2 0 224.308 1.077 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H](c1cccnc1)C(C)C ZINC000423201898 387987717 /nfs/dbraw/zinc/98/77/17/387987717.db2.gz QGCDVSVOFPDKIJ-CYBMUJFWSA-N 2 0 221.348 1.978 20 0 BDADRP C[NH2+]CCCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423201813 387988265 /nfs/dbraw/zinc/98/82/65/387988265.db2.gz PRMSPBSHIPKOAE-MGPQQGTHSA-N 2 0 239.407 1.496 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)O1 ZINC000423204492 387989769 /nfs/dbraw/zinc/98/97/69/387989769.db2.gz BAFREBWHTDHARV-BETNDFDFSA-N 2 0 224.348 1.425 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@@H]1C ZINC000423205013 387990966 /nfs/dbraw/zinc/99/09/66/387990966.db2.gz VAXQFKLIUXATQX-SDDRHHMPSA-N 2 0 242.363 1.163 20 0 BDADRP CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000423207833 387993828 /nfs/dbraw/zinc/99/38/28/387993828.db2.gz SHHAPROLAAXBHO-STQMWFEESA-N 2 0 239.407 1.306 20 0 BDADRP CCOCCCC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400519766 387995398 /nfs/dbraw/zinc/99/53/98/387995398.db2.gz GZFLITACVANFHV-VXGBXAGGSA-N 2 0 214.353 1.533 20 0 BDADRP C1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)C[NH2+]1 ZINC000423210329 387995643 /nfs/dbraw/zinc/99/56/43/387995643.db2.gz HKCRTAXGVWBOMN-AAVRWANBSA-N 2 0 238.375 1.533 20 0 BDADRP C[NH2+]CCC[NH2+][C@H](C)[C@H](OC)c1ccccc1 ZINC000423197844 387984065 /nfs/dbraw/zinc/98/40/65/387984065.db2.gz BLXBPUNAOHKQGM-OCCSQVGLSA-N 2 0 236.359 1.962 20 0 BDADRP FCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[NH2+]C1 ZINC000423215135 387998473 /nfs/dbraw/zinc/99/84/73/387998473.db2.gz NLKILTPBWONLSC-TUAOUCFPSA-N 2 0 214.328 1.856 20 0 BDADRP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423216596 387999041 /nfs/dbraw/zinc/99/90/41/387999041.db2.gz RWTGPVVEYPTMTG-HZSPNIEDSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])[C@H]1CCOC1 ZINC000424376069 387999506 /nfs/dbraw/zinc/99/95/06/387999506.db2.gz OJTVTYGRMPUCJQ-NNYUYHANSA-N 2 0 212.337 1.271 20 0 BDADRP CC[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000424385592 388000900 /nfs/dbraw/zinc/00/09/00/388000900.db2.gz WMGSHGIDAMYLEV-MLGHIDQZSA-N 2 0 208.349 1.905 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](O)C2(C)C)[C@H](C)C1 ZINC000245992397 388001557 /nfs/dbraw/zinc/00/15/57/388001557.db2.gz QXJYHZGGAVSNPG-YVECIDJPSA-N 2 0 240.391 1.466 20 0 BDADRP CC[C@@H]([NH2+]CC[C@H](C)[NH3+])c1ccncc1 ZINC000423222865 388003248 /nfs/dbraw/zinc/00/32/48/388003248.db2.gz CZWOKWCOLFGSRJ-CMPLNLGQSA-N 2 0 207.321 1.860 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000423223172 388003697 /nfs/dbraw/zinc/00/36/97/388003697.db2.gz FDXITHQVQZZEPR-IGQOVBAYSA-N 2 0 240.391 1.909 20 0 BDADRP CCOC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424371100 387996276 /nfs/dbraw/zinc/99/62/76/387996276.db2.gz USPUHEZYBOGYNY-HBNTYKKESA-N 2 0 200.326 1.271 20 0 BDADRP COC[C@@H]([NH2+]CC[C@H](C)[NH3+])C1CCCC1 ZINC000423227279 388011777 /nfs/dbraw/zinc/01/17/77/388011777.db2.gz VECPPQRWZSVIQA-CMPLNLGQSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCCO2)CC[N@@H+]1C ZINC000156625536 388013551 /nfs/dbraw/zinc/01/35/51/388013551.db2.gz OFNBQZFSERYFTR-UPJWGTAASA-N 2 0 226.364 1.628 20 0 BDADRP C[NH2+]CCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423238101 388022278 /nfs/dbraw/zinc/02/22/78/388022278.db2.gz FBNVKVHWMDJZJO-RWMBFGLXSA-N 2 0 225.380 1.106 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H]1CCCO1 ZINC000453283476 388033115 /nfs/dbraw/zinc/03/31/15/388033115.db2.gz JLDSDNGIJQPGTL-QJPTWQEYSA-N 2 0 212.337 1.095 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccncc1F ZINC000423251153 388034040 /nfs/dbraw/zinc/03/40/40/388034040.db2.gz RLHPBCHPCILMTK-MNOVXSKESA-N 2 0 237.322 1.871 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423263854 388042495 /nfs/dbraw/zinc/04/24/95/388042495.db2.gz BFXULERKCLBFAO-CFVMTHIKSA-N 2 0 249.402 1.518 20 0 BDADRP CC(C)[C@@H]([NH3+])C[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000423264503 388042512 /nfs/dbraw/zinc/04/25/12/388042512.db2.gz CCTAQHSRTPSENB-KGLIPLIRSA-N 2 0 248.370 1.953 20 0 BDADRP C[NH2+]C[C@H](C)CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000423266134 388043986 /nfs/dbraw/zinc/04/39/86/388043986.db2.gz CWVURPARESZDEN-WUHRBBMRSA-N 2 0 227.396 1.160 20 0 BDADRP C[C@H](Cc1ccoc1)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423247917 388029876 /nfs/dbraw/zinc/02/98/76/388029876.db2.gz MEIUMHOIPFGERX-VXGBXAGGSA-N 2 0 222.332 1.800 20 0 BDADRP C[C@H]([NH2+][C@H]1CCCN(CCCO)C1)C1(C)CC1 ZINC000453271395 388030331 /nfs/dbraw/zinc/03/03/31/388030331.db2.gz UEXRQWGJFKIUDD-STQMWFEESA-N 2 0 240.391 1.611 20 0 BDADRP COCCC[C@H](C)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000423272380 388051693 /nfs/dbraw/zinc/05/16/93/388051693.db2.gz HXQPIKGNTORRAS-AVGNSLFASA-N 2 0 228.380 1.909 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1cncc(C)c1 ZINC000423272017 388051814 /nfs/dbraw/zinc/05/18/14/388051814.db2.gz JOAOCHVYRMXZRV-NEPJUHHUSA-N 2 0 221.348 1.896 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000423275074 388055136 /nfs/dbraw/zinc/05/51/36/388055136.db2.gz MSSLCNKSIDISOX-BLYZHGLHSA-N 3 0 239.407 1.576 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000423275076 388056174 /nfs/dbraw/zinc/05/61/74/388056174.db2.gz MSSLCNKSIDISOX-RYSNWHEDSA-N 3 0 239.407 1.576 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)[C@H]1CCCC[NH2+]1 ZINC000423275217 388056494 /nfs/dbraw/zinc/05/64/94/388056494.db2.gz MXMAMTUOJHTFFA-MELADBBJSA-N 3 0 239.407 1.496 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000423278152 388059135 /nfs/dbraw/zinc/05/91/35/388059135.db2.gz QPESVWQJPHSZGQ-RYUDHWBXSA-N 2 0 236.359 1.685 20 0 BDADRP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H](C)C[NH2+]C ZINC000423281960 388064346 /nfs/dbraw/zinc/06/43/46/388064346.db2.gz VZVJINYIGPCMGU-RYUDHWBXSA-N 2 0 243.395 1.079 20 0 BDADRP CC(C)[C@@H]([NH3+])CN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423282268 388065987 /nfs/dbraw/zinc/06/59/87/388065987.db2.gz VRNQCYXQEQWGOZ-WOPDTQHZSA-N 2 0 213.369 1.090 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](COC)C(C)C ZINC000423284648 388067739 /nfs/dbraw/zinc/06/77/39/388067739.db2.gz YQBMBPVWAWBYJN-MNOVXSKESA-N 2 0 202.342 1.103 20 0 BDADRP CC(C)[C@@H]([NH3+])CN[C@@H](C)c1c[nH+]ccc1N ZINC000423285615 388069879 /nfs/dbraw/zinc/06/98/79/388069879.db2.gz ZKTVJCZEZAWFKZ-CABZTGNLSA-N 2 0 222.336 1.128 20 0 BDADRP CCC1(CC)[C@H]([NH2+]CC(C)(C)[NH3+])C[C@H]1OC ZINC000423286789 388071854 /nfs/dbraw/zinc/07/18/54/388071854.db2.gz IUFVNKHJFNIHOZ-GHMZBOCLSA-N 2 0 228.380 1.907 20 0 BDADRP C[C@H](NCC[NH2+]C1CCCCCC1)C1C[NH2+]C1 ZINC000423286771 388071984 /nfs/dbraw/zinc/07/19/84/388071984.db2.gz IOTIWYAFVLNLFV-LBPRGKRZSA-N 2 0 239.407 1.496 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@@H](C)O2)[C@H](C)C1 ZINC000453400766 388072510 /nfs/dbraw/zinc/07/25/10/388072510.db2.gz CZCJAVCMILGXAC-MQYQWHSLSA-N 2 0 240.391 1.874 20 0 BDADRP CC(C)([NH3+])CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423288541 388073170 /nfs/dbraw/zinc/07/31/70/388073170.db2.gz SQRLUKNGWLDSTP-YNEHKIRRSA-N 2 0 239.407 1.624 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccnc1 ZINC000084215728 388073432 /nfs/dbraw/zinc/07/34/32/388073432.db2.gz CMAJMEOLUJCZDF-QWHCGFSZSA-N 2 0 219.332 1.689 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cccnc1 ZINC000084215724 388073993 /nfs/dbraw/zinc/07/39/93/388073993.db2.gz CMAJMEOLUJCZDF-CHWSQXEVSA-N 2 0 219.332 1.689 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCc1cccnc1 ZINC000084219911 388075575 /nfs/dbraw/zinc/07/55/75/388075575.db2.gz ABSDZPVOZVRCTE-OLZOCXBDSA-N 2 0 219.332 1.341 20 0 BDADRP C[N@H+](CC[C@H]1CC[NH2+]C1)Cc1cccnc1 ZINC000084384804 388078288 /nfs/dbraw/zinc/07/82/88/388078288.db2.gz SGFZKZTTYRNPHV-GFCCVEGCSA-N 2 0 219.332 1.513 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000423297017 388078355 /nfs/dbraw/zinc/07/83/55/388078355.db2.gz IJLXFRDJATXRPH-UPJWGTAASA-N 2 0 227.396 1.611 20 0 BDADRP C[N@H+](CCCC[NH2+][C@H]1CCOC1)C1CC1 ZINC000453413913 388078682 /nfs/dbraw/zinc/07/86/82/388078682.db2.gz WTEXMMKDAUYIJK-NSHDSACASA-N 2 0 212.337 1.239 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000423296962 388078800 /nfs/dbraw/zinc/07/88/00/388078800.db2.gz ICOJFBMLOXDIKI-AAVRWANBSA-N 2 0 241.423 1.822 20 0 BDADRP CCC([NH3+])(CC)CN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000423296608 388079091 /nfs/dbraw/zinc/07/90/91/388079091.db2.gz ZNQLSPGDJSXACP-GHMZBOCLSA-N 2 0 213.369 1.221 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000447576130 388079195 /nfs/dbraw/zinc/07/91/95/388079195.db2.gz APJIMBQJNHYSAV-NWDGAFQWSA-N 2 0 240.391 1.874 20 0 BDADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000086404097 388101241 /nfs/dbraw/zinc/10/12/41/388101241.db2.gz PORCQAOWSBWJEJ-CHWSQXEVSA-N 2 0 219.332 1.750 20 0 BDADRP Cc1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000086404095 388101429 /nfs/dbraw/zinc/10/14/29/388101429.db2.gz PORCQAOWSBWJEJ-STQMWFEESA-N 2 0 219.332 1.750 20 0 BDADRP COC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)C ZINC000086696232 388106886 /nfs/dbraw/zinc/10/68/86/388106886.db2.gz JBVYLZGLLCQPLO-GSPSYOTPSA-N 2 0 240.391 1.872 20 0 BDADRP CC(C)(C)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000086723457 388108110 /nfs/dbraw/zinc/10/81/10/388108110.db2.gz MJBVTHKUYRXVND-UHFFFAOYSA-N 2 0 228.380 1.862 20 0 BDADRP C([NH2+][C@H]1CCCOCC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086873336 388109627 /nfs/dbraw/zinc/10/96/27/388109627.db2.gz DUPIZUHAGIVNAG-STQMWFEESA-N 2 0 238.375 1.629 20 0 BDADRP CC(C)C[C@H](C[NH3+])N[C@H](C)C[C@@H](C)[NH3+] ZINC000423268683 388048394 /nfs/dbraw/zinc/04/83/94/388048394.db2.gz VDJIKAREWFVCCK-GMTAPVOTSA-N 2 0 201.358 1.075 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)NCCC[NH+](CC)CC ZINC000449313624 388171472 /nfs/dbraw/zinc/17/14/72/388171472.db2.gz XAOTWFYCHROOIH-GFCCVEGCSA-N 2 0 243.395 1.223 20 0 BDADRP COCC1CCC([NH2+]CCC[NH+](C)C)CC1 ZINC000449065452 388137974 /nfs/dbraw/zinc/13/79/74/388137974.db2.gz UOIKHFNOEPMNGY-UHFFFAOYSA-N 2 0 228.380 1.733 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000449112938 388144917 /nfs/dbraw/zinc/14/49/17/388144917.db2.gz DXLGBGDCSZVKCB-NWDGAFQWSA-N 2 0 243.395 1.221 20 0 BDADRP CC(C)[C@@H]1CN(C[C@H](C)[NH3+])CCS1 ZINC000261528778 135154507 /nfs/dbraw/zinc/15/45/07/135154507.db2.gz NUUYMZXIEPTCAL-UWVGGRQHSA-N 2 0 202.367 1.407 20 0 BDADRP CCc1cc(N[C@H]2CCC[N@H+](C)[C@H]2C)cc[nH+]1 ZINC000450437961 388256216 /nfs/dbraw/zinc/25/62/16/388256216.db2.gz LRWVUDYWTYHLBA-FZMZJTMJSA-N 2 0 233.359 1.961 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000488585372 388190307 /nfs/dbraw/zinc/19/03/07/388190307.db2.gz UAHCOSLTQYHGKR-CHWSQXEVSA-N 2 0 239.407 1.258 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)CC(C)(C)O)[C@H](C)C1 ZINC000449451555 388209481 /nfs/dbraw/zinc/20/94/81/388209481.db2.gz RLBOVNAEWCGQQC-UPJWGTAASA-N 2 0 242.407 1.856 20 0 BDADRP CC(C)[C@H]([NH3+])C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000489459912 388216551 /nfs/dbraw/zinc/21/65/51/388216551.db2.gz AFMSNLYCFDSYPO-CABZTGNLSA-N 2 0 235.331 1.628 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCC2(CO)CC2)[C@@H](C)C1 ZINC000449580417 388237505 /nfs/dbraw/zinc/23/75/05/388237505.db2.gz QDZYOAYWARZGPI-QWHCGFSZSA-N 2 0 240.391 1.469 20 0 BDADRP CC[C@@H]([NH3+])CNC(=O)CC1(C[NH3+])CCCCC1 ZINC000449608731 388241326 /nfs/dbraw/zinc/24/13/26/388241326.db2.gz JTRTUWIXQDADLS-LLVKDONJSA-N 2 0 241.379 1.139 20 0 BDADRP CO[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)C[C@@H]1C ZINC000451568691 388281770 /nfs/dbraw/zinc/28/17/70/388281770.db2.gz NYSOUUOTGZKZGV-MELADBBJSA-N 2 0 240.391 1.828 20 0 BDADRP CO[C@@H]1CC[N@H+](CC[C@H]2CCC[NH+]2C)C[C@@H]1C ZINC000451568689 388281938 /nfs/dbraw/zinc/28/19/38/388281938.db2.gz NYSOUUOTGZKZGV-BFHYXJOUSA-N 2 0 240.391 1.828 20 0 BDADRP C[C@@H](C[NH2+]C/C=C/c1ccncc1)C[NH+](C)C ZINC000491597211 388304823 /nfs/dbraw/zinc/30/48/23/388304823.db2.gz SHBFLHBNTHGQME-IHVVCDCBSA-N 2 0 233.359 1.882 20 0 BDADRP CC(C)[C@H]1CN(CC(C)(C)[NH3+])CCS1 ZINC000261532184 135162822 /nfs/dbraw/zinc/16/28/22/135162822.db2.gz JNSOXBAZOCYVBY-SNVBAGLBSA-N 2 0 216.394 1.797 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](O)C2CCC2)c2ccccc21 ZINC000315997612 388404769 /nfs/dbraw/zinc/40/47/69/388404769.db2.gz QDSIDPODUXGHTN-ILXRZTDVSA-N 2 0 246.354 1.882 20 0 BDADRP COC[C@H](C)C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000163322937 388360634 /nfs/dbraw/zinc/36/06/34/388360634.db2.gz BYLKVGZRLDYSCQ-OLZOCXBDSA-N 2 0 228.380 1.589 20 0 BDADRP COc1ccccc1[C@H](C)N[C@@H](C)C[NH3+] ZINC000234902160 388362848 /nfs/dbraw/zinc/36/28/48/388362848.db2.gz UUWIDEBTKKPMJZ-UWVGGRQHSA-N 2 0 208.305 1.693 20 0 BDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC2C[NH2+]C2)C1 ZINC000572749226 388372834 /nfs/dbraw/zinc/37/28/34/388372834.db2.gz KBOTUUDKARUOCN-TZMCWYRMSA-N 2 0 245.370 1.383 20 0 BDADRP CCC[N@@H+]1CCC[C@H]1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000572855501 388382073 /nfs/dbraw/zinc/38/20/73/388382073.db2.gz BJFOIOWIUKFJJS-RDBSUJKOSA-N 3 0 239.407 1.720 20 0 BDADRP CCCC[C@@H]([NH3+])C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000236748371 388382925 /nfs/dbraw/zinc/38/29/25/388382925.db2.gz ATPLIFOTZCYCBF-NWDGAFQWSA-N 2 0 241.379 1.010 20 0 BDADRP Cc1nocc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000293210325 388387612 /nfs/dbraw/zinc/38/76/12/388387612.db2.gz JHXNOCWVSMCJJF-UHFFFAOYSA-N 2 0 221.304 1.335 20 0 BDADRP CC[C@@H]([NH2+][C@@H](C)CCC[NH3+])C(C)(C)O ZINC000394018297 388449051 /nfs/dbraw/zinc/44/90/51/388449051.db2.gz VHAKFEAZXMRLQZ-VHSXEESVSA-N 2 0 202.342 1.253 20 0 BDADRP [NH3+]CCC1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000515306218 256740477 /nfs/dbraw/zinc/74/04/77/256740477.db2.gz ZIGZKTUAULITKR-AWEZNQCLSA-N 3 0 239.407 1.437 20 0 BDADRP C[C@@H]1C[C@@H](C)[N@H+](CCc2cccnc2)C[C@H]1C[NH3+] ZINC000397264852 388455836 /nfs/dbraw/zinc/45/58/36/388455836.db2.gz ISELQNXNDRMBPI-UMVBOHGHSA-N 2 0 247.386 1.929 20 0 BDADRP CC[C@H](O)CC[NH2+][C@H](C)CCCC[NH3+] ZINC000336695551 388463878 /nfs/dbraw/zinc/46/38/78/388463878.db2.gz SQKDRCTXASOICP-MNOVXSKESA-N 2 0 202.342 1.255 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)C1 ZINC000573020543 388407419 /nfs/dbraw/zinc/40/74/19/388407419.db2.gz OFFZUXIVALZQDV-YNEHKIRRSA-N 2 0 225.380 1.236 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000166363987 388426363 /nfs/dbraw/zinc/42/63/63/388426363.db2.gz BKOLJGLGUGIYEB-NWDGAFQWSA-N 2 0 228.380 1.467 20 0 BDADRP CC(C)(CO)CCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000393428958 388429204 /nfs/dbraw/zinc/42/92/04/388429204.db2.gz RJMISIYQELZYAQ-NEPJUHHUSA-N 2 0 228.380 1.502 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000573197715 388430218 /nfs/dbraw/zinc/43/02/18/388430218.db2.gz WKULTDFOTIRTST-ROKHWSDSSA-N 3 0 239.407 1.435 20 0 BDADRP Cc1cc(CC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])on1 ZINC000573197673 388430634 /nfs/dbraw/zinc/43/06/34/388430634.db2.gz SEBFXEPYONPLHE-DGCLKSJQSA-N 2 0 237.347 1.633 20 0 BDADRP CC[C@](C)(C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)OC ZINC000322491553 388436546 /nfs/dbraw/zinc/43/65/46/388436546.db2.gz CFGBNIWWMXILIK-FRRDWIJNSA-N 2 0 228.380 1.874 20 0 BDADRP c1n[nH]cc1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000353625291 388542791 /nfs/dbraw/zinc/54/27/91/388542791.db2.gz FXUDARNSPPVKCO-STQMWFEESA-N 2 0 234.347 1.169 20 0 BDADRP CC1(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CC1 ZINC000517236440 388544419 /nfs/dbraw/zinc/54/44/19/388544419.db2.gz WHIAZRDERVDKIS-TXEJJXNPSA-N 2 0 208.349 1.718 20 0 BDADRP [NH3+]CCCCc1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000517235607 388545080 /nfs/dbraw/zinc/54/50/80/388545080.db2.gz UBJSTWUOLMHOER-UHFFFAOYSA-N 2 0 246.314 1.477 20 0 BDADRP CC(C)C1CC([NH2+]CC2(O)CC[NH+](C)CC2)C1 ZINC000397624600 388485237 /nfs/dbraw/zinc/48/52/37/388485237.db2.gz XNYHZMKMPBKIMY-UHFFFAOYSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@@H]([NH2+]CC[C@H](C)CCO)[C@@H]1CCCC[NH2+]1 ZINC000397649300 388486779 /nfs/dbraw/zinc/48/67/79/388486779.db2.gz WBZVPNXYIDESPT-XQQFMLRXSA-N 2 0 228.380 1.515 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCCN1C)[C@@]1(C)CCCO1 ZINC000340201457 388488475 /nfs/dbraw/zinc/48/84/75/388488475.db2.gz LFOLOEPMTNFCQT-RWMBFGLXSA-N 2 0 226.364 1.628 20 0 BDADRP C[C@@H]([NH2+]CC1CCOCC1)[C@H]1CCC[NH2+]1 ZINC000400668789 256795329 /nfs/dbraw/zinc/79/53/29/256795329.db2.gz UBKUJKHUKNUUCS-ZYHUDNBSSA-N 2 0 212.337 1.143 20 0 BDADRP CC[NH+]1CCC(NCC2([NH+](C)C)CC2)CC1 ZINC000397797497 388500524 /nfs/dbraw/zinc/50/05/24/388500524.db2.gz UKSWCEXJIWCVFF-UHFFFAOYSA-N 2 0 225.380 1.155 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CS[C@H](C)C1 ZINC000397801462 388500603 /nfs/dbraw/zinc/50/06/03/388500603.db2.gz LQEQZEVYBFKLIK-VWYCJHECSA-N 2 0 232.393 1.224 20 0 BDADRP CCOC[C@@H](C)[NH2+]CCC[NH2+]C(C)C ZINC000516642928 388512062 /nfs/dbraw/zinc/51/20/62/388512062.db2.gz DBHNKKXGVNOEBN-LLVKDONJSA-N 2 0 202.342 1.389 20 0 BDADRP C[C@@H](CSCC1CC[NH2+]CC1)[NH+](C)C ZINC000516766443 388515378 /nfs/dbraw/zinc/51/53/78/388515378.db2.gz KJXVHCWOZVIVGI-JTQLQIEISA-N 2 0 216.394 1.669 20 0 BDADRP CCC[C@@H](C[NH2+]CC1CC[NH+](C)CC1)OC ZINC000378820373 388516037 /nfs/dbraw/zinc/51/60/37/388516037.db2.gz DXHSIXXQMQPHBR-ZDUSSCGKSA-N 2 0 228.380 1.733 20 0 BDADRP COC1CCC([NH2+]CC2=CC[N@H+](C)CC2)CC1 ZINC000346313928 388519754 /nfs/dbraw/zinc/51/97/54/388519754.db2.gz HRNCFBXMKZLIIL-UHFFFAOYSA-N 2 0 238.375 1.796 20 0 BDADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000520837669 256814035 /nfs/dbraw/zinc/81/40/35/256814035.db2.gz DBIOITSCESYYQA-AAVRWANBSA-N 3 0 239.407 1.611 20 0 BDADRP [NH3+][C@@H]1CC[C@H]2CN(Cc3cncs3)C[C@H]12 ZINC000261529648 388529401 /nfs/dbraw/zinc/52/94/01/388529401.db2.gz BGDUTHWUCFHKPQ-INTQDDNPSA-N 2 0 223.345 1.312 20 0 BDADRP [NH3+][C@@H]1CC[C@H]2CN(Cc3cncs3)C[C@@H]12 ZINC000261529649 388529598 /nfs/dbraw/zinc/52/95/98/388529598.db2.gz BGDUTHWUCFHKPQ-JMJZKYOTSA-N 2 0 223.345 1.312 20 0 BDADRP C/C=C/C[C@H](CO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000186493850 388600486 /nfs/dbraw/zinc/60/04/86/388600486.db2.gz MVWZRMHOXCJXBK-CLQVMCNMSA-N 2 0 238.375 1.530 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]C1CCSCC1 ZINC000220681854 388606087 /nfs/dbraw/zinc/60/60/87/388606087.db2.gz LKFFZVZPRBUNGK-PWSUYJOCSA-N 2 0 228.405 1.989 20 0 BDADRP C[C@H](C[N@H+](C)CCOCC[NH3+])c1ccccc1 ZINC000357084601 388552697 /nfs/dbraw/zinc/55/26/97/388552697.db2.gz RSZYHPNDOHWUDT-CYBMUJFWSA-N 2 0 236.359 1.697 20 0 BDADRP C[C@H](NCC[C@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC000517712904 388557443 /nfs/dbraw/zinc/55/74/43/388557443.db2.gz QEHOFGURYGXELK-YNEHKIRRSA-N 2 0 225.380 1.106 20 0 BDADRP CO[C@@H](C[NH2+][C@H](C)CCCC[NH3+])C(C)C ZINC000362978310 388563283 /nfs/dbraw/zinc/56/32/83/388563283.db2.gz YXKFMSJNELEXKV-NEPJUHHUSA-N 2 0 216.369 1.765 20 0 BDADRP Cc1cnccc1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000385061702 388573322 /nfs/dbraw/zinc/57/33/22/388573322.db2.gz UPBDZKFUKABZEG-NEPJUHHUSA-N 2 0 219.332 1.559 20 0 BDADRP Cc1cnccc1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000385061540 388573616 /nfs/dbraw/zinc/57/36/16/388573616.db2.gz UMRSQPAGKXKTSU-AAEUAGOBSA-N 2 0 219.332 1.559 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000224546040 388666105 /nfs/dbraw/zinc/66/61/05/388666105.db2.gz GIKJYUZLIXAAKB-YNEHKIRRSA-N 2 0 228.380 1.467 20 0 BDADRP [NH3+]CC[C@H]1CCCC[N@@H+]1C[C@@H]1CCSC1 ZINC000224613281 388666952 /nfs/dbraw/zinc/66/69/52/388666952.db2.gz GBLFIPOKBVGAII-NWDGAFQWSA-N 2 0 228.405 1.943 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000191823451 388670898 /nfs/dbraw/zinc/67/08/98/388670898.db2.gz FWENTQYXOJLASG-CHWSQXEVSA-N 2 0 228.380 1.421 20 0 BDADRP CC(C)(C)[C@H]1CCC[N@@H+]1CCOCC[NH3+] ZINC000261596314 135235989 /nfs/dbraw/zinc/23/59/89/135235989.db2.gz YSCONEGAKLMLSV-LLVKDONJSA-N 2 0 214.353 1.472 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCO2)[C@H](C)C1 ZINC000248046618 388673208 /nfs/dbraw/zinc/67/32/08/388673208.db2.gz VEKWWMHJTALQDO-UPJWGTAASA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H]([NH3+])CCNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000521619819 388619172 /nfs/dbraw/zinc/61/91/72/388619172.db2.gz AIQIEEXBSOIERG-NWDGAFQWSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCC[C@@H](F)C1 ZINC000521624405 388620372 /nfs/dbraw/zinc/62/03/72/388620372.db2.gz BDJHWMDDBHDITI-MXWKQRLJSA-N 2 0 202.317 1.984 20 0 BDADRP C1CC2(C1)[NH2+]CC[C@@H]2N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000530177843 388621146 /nfs/dbraw/zinc/62/11/46/388621146.db2.gz IMDZYZDLDBLVCJ-MJBXVCDLSA-N 2 0 249.402 1.487 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CCCOC1 ZINC000530209521 388626223 /nfs/dbraw/zinc/62/62/23/388626223.db2.gz IKLMGCJMQRDXLA-RWMBFGLXSA-N 2 0 226.364 1.520 20 0 BDADRP COCCC1CC[NH+]([C@H]2CCC[NH2+]CC2)CC1 ZINC000530206606 388626863 /nfs/dbraw/zinc/62/68/63/388626863.db2.gz AVEGMUUKPQLZGD-AWEZNQCLSA-N 2 0 240.391 1.877 20 0 BDADRP C(C[C@H]1CCCOC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000530213700 388628603 /nfs/dbraw/zinc/62/86/03/388628603.db2.gz VJJJXXXCCPXNCD-HABKJSAYSA-N 2 0 238.375 1.676 20 0 BDADRP C[C@H](N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1CCC[NH2+]C1 ZINC000530214904 388629516 /nfs/dbraw/zinc/62/95/16/388629516.db2.gz DQFZJGFMYVLSEH-YNEHKIRRSA-N 2 0 237.391 1.249 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[NH3+])c1ccncc1 ZINC000530218788 388631844 /nfs/dbraw/zinc/63/18/44/388631844.db2.gz HFHWUOGHJOJVLP-KGYLQXTDSA-N 2 0 219.332 1.655 20 0 BDADRP CC1(C)CC(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000530219012 388632033 /nfs/dbraw/zinc/63/20/33/388632033.db2.gz IMQRHQXIYVXWFQ-QWHCGFSZSA-N 2 0 222.376 1.964 20 0 BDADRP COCCC1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000530220621 388632587 /nfs/dbraw/zinc/63/25/87/388632587.db2.gz BFUPUPFKQBXJSB-AWEZNQCLSA-N 2 0 240.391 1.735 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CC23CC(C2)CO3)C1 ZINC000530224044 388634552 /nfs/dbraw/zinc/63/45/52/388634552.db2.gz VWJPUCPDVVARJE-LVFLEHKBSA-N 2 0 210.321 1.025 20 0 BDADRP C[C@H]1CC(F)(F)CC[N@@H+]1CCOCC[NH3+] ZINC000530232451 388636588 /nfs/dbraw/zinc/63/65/88/388636588.db2.gz PNLNRXZJLFKQLV-VIFPVBQESA-N 2 0 222.279 1.081 20 0 BDADRP CCCC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530237898 388638279 /nfs/dbraw/zinc/63/82/79/388638279.db2.gz GLHIRWMGCYJXOR-AWEZNQCLSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@@H](C[NH2+]C[C@@]1(C)CC[NH2+]C1)c1ccncc1 ZINC000530244952 388638991 /nfs/dbraw/zinc/63/89/91/388638991.db2.gz RIBCLUOAOBDKBV-JSGCOSHPSA-N 2 0 233.359 1.774 20 0 BDADRP Cc1ccc(C2=CC[NH2+]CC2)cc1C[NH3+] ZINC000530248420 388639753 /nfs/dbraw/zinc/63/97/53/388639753.db2.gz NAKKALWYNRDZSY-UHFFFAOYSA-N 2 0 202.301 1.830 20 0 BDADRP Cc1ncc(C[NH2+][C@@H]2CCCSC2)n1C ZINC000521900352 388640752 /nfs/dbraw/zinc/64/07/52/388640752.db2.gz KKRICUIMFAKHIW-SNVBAGLBSA-N 2 0 225.361 1.714 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000223089462 388648508 /nfs/dbraw/zinc/64/85/08/388648508.db2.gz QJLZJUBUBXQEIY-MELADBBJSA-N 2 0 241.423 1.789 20 0 BDADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@H](C)COC)C1 ZINC000249948409 388734545 /nfs/dbraw/zinc/73/45/45/388734545.db2.gz USMVYLLRWOPXOT-STQMWFEESA-N 2 0 228.380 1.590 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1ccccn1 ZINC000128135248 388738761 /nfs/dbraw/zinc/73/87/61/388738761.db2.gz FKDGXTVVPQPDFF-OCCSQVGLSA-N 2 0 233.359 1.554 20 0 BDADRP [NH3+]CC[C@H]1CCCC[N@@H+]1C[C@H]1CCOC1 ZINC000250832561 388741555 /nfs/dbraw/zinc/74/15/55/388741555.db2.gz JPXKDXXEUODRLV-VXGBXAGGSA-N 2 0 212.337 1.226 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@H]2CCOC2)C1 ZINC000251535955 388748874 /nfs/dbraw/zinc/74/88/74/388748874.db2.gz KNYZEJJRHDJDDL-TUAOUCFPSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@]1(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CCCO1 ZINC000227472704 388751381 /nfs/dbraw/zinc/75/13/81/388751381.db2.gz CKMHLUWMJCHBIM-GRYCIOLGSA-N 2 0 212.337 1.415 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CCCCO)[C@@H](C)C1 ZINC000248655518 388688406 /nfs/dbraw/zinc/68/84/06/388688406.db2.gz BOWWEKUGLHGLBL-RYUDHWBXSA-N 2 0 214.353 1.079 20 0 BDADRP C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000248734732 388692047 /nfs/dbraw/zinc/69/20/47/388692047.db2.gz BSCBFNJPFCSRII-CRWXNKLISA-N 2 0 240.391 1.704 20 0 BDADRP C[C@H]1CC[N@H+](CCC[NH+]2CCCCC2)[C@H]1CO ZINC000248941151 388700078 /nfs/dbraw/zinc/70/00/78/388700078.db2.gz NYNRJIIERZFAIW-KBPBESRZSA-N 2 0 240.391 1.565 20 0 BDADRP C[NH+](C)CCSCC[C@H]1CCC[N@@H+]1C ZINC000126768362 388701665 /nfs/dbraw/zinc/70/16/65/388701665.db2.gz JSQVTBOWZCSRDE-LLVKDONJSA-N 2 0 216.394 1.766 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000249088824 388707712 /nfs/dbraw/zinc/70/77/12/388707712.db2.gz NPSLIAGNODBOFK-KSTCHIGDSA-N 2 0 240.391 1.466 20 0 BDADRP CCSCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000229514189 388791912 /nfs/dbraw/zinc/79/19/12/388791912.db2.gz MLGUESVIURUJTG-WDEREUQCSA-N 2 0 216.394 1.812 20 0 BDADRP COC[C@H](C)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000253126115 388805294 /nfs/dbraw/zinc/80/52/94/388805294.db2.gz RCDDHLHRFCIKDH-WOPDTQHZSA-N 2 0 214.353 1.328 20 0 BDADRP CC[C@H](O)C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000229971304 388808264 /nfs/dbraw/zinc/80/82/64/388808264.db2.gz YSYJIDAWXDDHMJ-AGIUHOORSA-N 2 0 228.380 1.658 20 0 BDADRP CC[C@@]1(CO)CCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000251980458 388758619 /nfs/dbraw/zinc/75/86/19/388758619.db2.gz VJBQEEIQVLEXDQ-KGLIPLIRSA-N 2 0 240.391 1.708 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCO2)CC[N@@H+]1C ZINC000252127316 388760925 /nfs/dbraw/zinc/76/09/25/388760925.db2.gz LOOBJBFPGJOIDU-JHJVBQTASA-N 2 0 226.364 1.628 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000252216908 388763707 /nfs/dbraw/zinc/76/37/07/388763707.db2.gz ZKQOPBTYHJBTLS-DABQJJPHSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CC[C@H](O)CC1 ZINC000252732388 388778408 /nfs/dbraw/zinc/77/84/08/388778408.db2.gz UWRPUIFLBSUQPP-KSTCHIGDSA-N 2 0 240.391 1.608 20 0 BDADRP Cc1cnccc1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000129863139 388873445 /nfs/dbraw/zinc/87/34/45/388873445.db2.gz JJFPLVYKCOTALF-YPMHNXCESA-N 2 0 219.332 1.559 20 0 BDADRP [NH3+]CCC1CC[NH+](Cc2ccno2)CC1 ZINC000069730100 388862472 /nfs/dbraw/zinc/86/24/72/388862472.db2.gz LJOQVOIYABWLJB-UHFFFAOYSA-N 2 0 209.293 1.235 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCCOCC2CC2)CC[N@@H+]1C ZINC000129822004 388872538 /nfs/dbraw/zinc/87/25/38/388872538.db2.gz OFSXUOFVNNYPLX-JSGCOSHPSA-N 2 0 240.391 1.875 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CC1CC(C)(C)C1 ZINC000564826612 388891846 /nfs/dbraw/zinc/89/18/46/388891846.db2.gz YKYXBDOTRLTMLJ-GFCCVEGCSA-N 2 0 228.380 1.766 20 0 BDADRP C[N@H+](CCCN1CC[NH+](C)CC1)CC1(F)CC1 ZINC000564496299 388876948 /nfs/dbraw/zinc/87/69/48/388876948.db2.gz JODGFARIUFYFNJ-UHFFFAOYSA-N 2 0 243.370 1.058 20 0 BDADRP CC(C)[N@@H+]1CCCN(C(=O)CC[C@@H](C)[NH3+])CC1 ZINC000565038899 388910197 /nfs/dbraw/zinc/91/01/97/388910197.db2.gz VOPRPSGJGPKDBK-GFCCVEGCSA-N 2 0 241.379 1.057 20 0 BDADRP CC[C@H](C)[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000565165387 388917346 /nfs/dbraw/zinc/91/73/46/388917346.db2.gz WLHHQAJUQAAREL-LBPRGKRZSA-N 2 0 228.380 1.610 20 0 BDADRP COC[C@H](C)C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000564973727 388904358 /nfs/dbraw/zinc/90/43/58/388904358.db2.gz PRTKTHZVTNZKTJ-LLVKDONJSA-N 2 0 222.332 1.517 20 0 BDADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1CC(C)(C)C1 ZINC000565357498 388939578 /nfs/dbraw/zinc/93/95/78/388939578.db2.gz FUZQWJWGUWQYNM-UHTWSYAYSA-N 2 0 240.391 1.765 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]Cc1cnc(C2CC2)s1 ZINC000565409463 388941448 /nfs/dbraw/zinc/94/14/48/388941448.db2.gz XFYKVRZAWFEJCX-QMMMGPOBSA-N 2 0 225.361 1.705 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC1(c2ccccn2)CCC1 ZINC000565533986 388951396 /nfs/dbraw/zinc/95/13/96/388951396.db2.gz XXLIQOHOBWPKLS-OLZOCXBDSA-N 2 0 245.370 1.973 20 0 BDADRP CC[NH+](CC)CCCN(C)[C@H]1CC[NH2+]C1 ZINC000565540183 388952247 /nfs/dbraw/zinc/95/22/47/388952247.db2.gz LDERROBBTFOCLZ-LBPRGKRZSA-N 2 0 213.369 1.012 20 0 BDADRP CC[NH+]1CCC(CC[NH2+][C@H](C)[C@@H](C)O)CC1 ZINC000566115141 388988449 /nfs/dbraw/zinc/98/84/49/388988449.db2.gz HLKOETGAPANKTD-VXGBXAGGSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)[C@@H]1CCC[NH2+]1 ZINC000400381232 533351165 /nfs/dbraw/zinc/35/11/65/533351165.db2.gz XBNZMLWTJJEYIH-TUAOUCFPSA-N 2 0 228.380 1.514 20 0 BDADRP C([NH2+]C[C@@H]1CCSC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000224379536 533368509 /nfs/dbraw/zinc/36/85/09/533368509.db2.gz JBZZXYQOZYHBCX-NEPJUHHUSA-N 2 0 240.416 1.813 20 0 BDADRP C[C@@H](CCCC[NH3+])NC(=O)C1(C[NH3+])CCCC1 ZINC000494688578 533531785 /nfs/dbraw/zinc/53/17/85/533531785.db2.gz UAACXDNQYWVOLF-NSHDSACASA-N 2 0 241.379 1.139 20 0 BDADRP Cc1c[nH+]ccc1N1CC[NH2+]C(C)(C)C1 ZINC000133198950 132237911 /nfs/dbraw/zinc/23/79/11/132237911.db2.gz PWVOVWQNNPGDBK-UHFFFAOYSA-N 2 0 205.305 1.578 20 0 BDADRP Cc1ccc(N2CC[NH+](CCCC[NH3+])CC2)nc1 ZINC000037039494 132343317 /nfs/dbraw/zinc/34/33/17/132343317.db2.gz HPBOGWNHLJNHDS-UHFFFAOYSA-N 2 0 248.374 1.251 20 0 BDADRP Cc1cc(N2CCCC[C@@H]2C[NH3+])cc[nH+]1 ZINC000107198565 132365560 /nfs/dbraw/zinc/36/55/60/132365560.db2.gz AJNIRSYTUDRRNR-GFCCVEGCSA-N 2 0 205.305 1.708 20 0 BDADRP C[C@H](C(=O)N[C@@H](C)CC[NH3+])[NH+]1CCCCCC1 ZINC000349952350 133927016 /nfs/dbraw/zinc/92/70/16/133927016.db2.gz OTJARCSMFLITJD-NWDGAFQWSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)CN1CC[C@@H]1CCC[NH+]1C ZINC000351925670 134007348 /nfs/dbraw/zinc/00/73/48/134007348.db2.gz FHQYIAVJIWIBDQ-MCIONIFRSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H]([NH3+])CN1CC[N@H+](C)CC12CCCCC2 ZINC000336171662 134115324 /nfs/dbraw/zinc/11/53/24/134115324.db2.gz LTNUPNYTHPMREX-GFCCVEGCSA-N 2 0 225.380 1.284 20 0 BDADRP C[C@H]([NH3+])CN1CC[N@H+](C)CC12CCCCC2 ZINC000336171672 134115386 /nfs/dbraw/zinc/11/53/86/134115386.db2.gz LTNUPNYTHPMREX-LBPRGKRZSA-N 2 0 225.380 1.284 20 0 BDADRP CC[N@@H+]1CCC[C@H]1CN[C@@H]1CCC[NH2+]CC1 ZINC000168705150 134246466 /nfs/dbraw/zinc/24/64/66/134246466.db2.gz POGIJXCSSGIMQV-OLZOCXBDSA-N 2 0 225.380 1.202 20 0 BDADRP C[C@H]([NH2+]CCCC[NH+]1CCOCC1)C1CCC1 ZINC000178114320 134306537 /nfs/dbraw/zinc/30/65/37/134306537.db2.gz LIQIIALFBFRATO-ZDUSSCGKSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@@H]([NH3+])CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000178641105 134312423 /nfs/dbraw/zinc/31/24/23/134312423.db2.gz MBEOLDYJPOGCJL-LLVKDONJSA-N 2 0 249.358 1.215 20 0 BDADRP C1C[C@H]2C[C@@H]([NH2+][C@@H]3C[C@H]4CC[C@@H]3O4)CC[N@@H+]2C1 ZINC000178958881 134313784 /nfs/dbraw/zinc/31/37/84/134313784.db2.gz BFROUUUEOMLWIE-QNSTZXKLSA-N 2 0 236.359 1.523 20 0 BDADRP Cn1cc([C@@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)cn1 ZINC000178980352 134314102 /nfs/dbraw/zinc/31/41/02/134314102.db2.gz SYOHOPKBWKLOEK-AWEZNQCLSA-N 2 0 248.374 1.557 20 0 BDADRP CC(C)[N@H+](CCO)CC[C@H]1CCC[NH+]1C ZINC000179308645 134319928 /nfs/dbraw/zinc/31/99/28/134319928.db2.gz YEODWFGIHNHRNY-GFCCVEGCSA-N 2 0 214.353 1.173 20 0 BDADRP CC[C@H](C)N(C)CC[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000223065721 134336195 /nfs/dbraw/zinc/33/61/95/134336195.db2.gz UBHNYMVBXDYTAB-RWMBFGLXSA-N 2 0 228.380 1.874 20 0 BDADRP C[C@H]1CCC[C@@H](CO)[N@@H+]1CCCn1ccnc1 ZINC000181402863 134336342 /nfs/dbraw/zinc/33/63/42/134336342.db2.gz GGSOPCSISLJDLL-STQMWFEESA-N 2 0 237.347 1.509 20 0 BDADRP C[C@H](CC[NH+](C)C)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000222910672 134336428 /nfs/dbraw/zinc/33/64/28/134336428.db2.gz YUMQSZFHNVZGQL-AGIUHOORSA-N 2 0 227.396 1.399 20 0 BDADRP CCC[NH+](C)CC1(C[N@@H+](C)CCC)COC1 ZINC000182098661 134339171 /nfs/dbraw/zinc/33/91/71/134339171.db2.gz UIEFGWKODKKVOF-UHFFFAOYSA-N 2 0 228.380 1.687 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](O)C2(C)C)CCN1C ZINC000226604278 134368053 /nfs/dbraw/zinc/36/80/53/134368053.db2.gz IBEFBALSOPUBCD-DDHJBXDOSA-N 2 0 226.364 1.218 20 0 BDADRP COC(=O)CCC[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000227734952 134385688 /nfs/dbraw/zinc/38/56/88/134385688.db2.gz DLNNWNFMWNJNEC-NSHDSACASA-N 2 0 230.352 1.245 20 0 BDADRP C[C@@H]([NH2+]CCCC[NH+](C)C)[C@H]1CCOC1 ZINC000132994496 134671326 /nfs/dbraw/zinc/67/13/26/134671326.db2.gz WYQCHCYUMSHVMF-NEPJUHHUSA-N 2 0 214.353 1.343 20 0 BDADRP CC(C)OCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000158927254 134755440 /nfs/dbraw/zinc/75/54/40/134755440.db2.gz PYCRPELDNVZWJL-MNOVXSKESA-N 2 0 200.326 1.128 20 0 BDADRP C[NH+](C)CCC[NH2+]C[C@@H]1CCSC1 ZINC000163607140 135011600 /nfs/dbraw/zinc/01/16/00/135011600.db2.gz BPSNQAYULFKQMO-JTQLQIEISA-N 2 0 202.367 1.281 20 0 BDADRP C[C@@H]1CC[C@H](C[N@H+](C)C[C@H]2CCC[NH+](C)C2)O1 ZINC000248914384 135026633 /nfs/dbraw/zinc/02/66/33/135026633.db2.gz OAHFDQYZKPKABD-HZSPNIEDSA-N 2 0 240.391 1.828 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000249088653 135032139 /nfs/dbraw/zinc/03/21/39/135032139.db2.gz JUWYQFPONZWPOL-SYQHCUMBSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)CC[C@H]1O ZINC000249131792 135034795 /nfs/dbraw/zinc/03/47/95/135034795.db2.gz LVWXDBGESYONLL-FRRDWIJNSA-N 2 0 226.364 1.173 20 0 BDADRP C[C@H](O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000249727360 135044475 /nfs/dbraw/zinc/04/44/75/135044475.db2.gz QWCPPINYDBGYDO-NWDGAFQWSA-N 2 0 214.353 1.173 20 0 BDADRP COC[C@H](C)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000250246108 135050263 /nfs/dbraw/zinc/05/02/63/135050263.db2.gz WZBGEEUIMDKZOT-MROQNXINSA-N 2 0 228.380 1.587 20 0 BDADRP C[C@H](CN[C@@H]1CCC[C@H]1C[NH3+])C[NH+]1CCCC1 ZINC000251095608 135064478 /nfs/dbraw/zinc/06/44/78/135064478.db2.gz LGNNXMHVRPBVRG-HZSPNIEDSA-N 2 0 239.407 1.435 20 0 BDADRP C[C@H](O)CCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000251212288 135066208 /nfs/dbraw/zinc/06/62/08/135066208.db2.gz MQCHQAIYIHSWMU-MJBXVCDLSA-N 2 0 240.391 1.564 20 0 BDADRP CC(C)C[C@H](CO)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251424406 135069797 /nfs/dbraw/zinc/06/97/97/135069797.db2.gz QNPCSHOMKHONFJ-MJBXVCDLSA-N 2 0 240.391 1.610 20 0 BDADRP Cc1n[nH]cc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000086403345 135083622 /nfs/dbraw/zinc/08/36/22/135083622.db2.gz BSIIWIGZDGBCKL-MNOVXSKESA-N 2 0 208.309 1.078 20 0 BDADRP [NH3+]CCOCC[N@H+](Cc1cccs1)C1CC1 ZINC000086435508 135084126 /nfs/dbraw/zinc/08/41/26/135084126.db2.gz HJUJFSSZHWWIMW-UHFFFAOYSA-N 2 0 240.372 1.688 20 0 BDADRP C[C@@H]1CC[C@@H](C)[N@H+](CCOCC[NH3+])C1 ZINC000086435901 135084208 /nfs/dbraw/zinc/08/42/08/135084208.db2.gz CYAZNSCOQXMAGU-GHMZBOCLSA-N 2 0 200.326 1.082 20 0 BDADRP C[C@H](O)C[C@H](C)C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000252711880 135100213 /nfs/dbraw/zinc/10/02/13/135100213.db2.gz KVTXGKIZSLWRPY-RNJOBUHISA-N 2 0 228.380 1.323 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000252712384 135100713 /nfs/dbraw/zinc/10/07/13/135100713.db2.gz MHTDNIYVGZITHB-SYQHCUMBSA-N 3 0 239.407 1.399 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000252715170 135101924 /nfs/dbraw/zinc/10/19/24/135101924.db2.gz UVRNHJYLHGEEGJ-WOPDTQHZSA-N 2 0 214.353 1.341 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000252765626 135108604 /nfs/dbraw/zinc/10/86/04/135108604.db2.gz FWEUKUPVMIDZJJ-HBEIAFGSSA-N 2 0 232.327 1.898 20 0 BDADRP C[C@]1(C[NH2+]CC2CC[NH2+]CC2)CCCO1 ZINC000087233790 135113320 /nfs/dbraw/zinc/11/33/20/135113320.db2.gz BSUOMYLYDXSHPA-GFCCVEGCSA-N 2 0 212.337 1.145 20 0 BDADRP CCSCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252911228 135116375 /nfs/dbraw/zinc/11/63/75/135116375.db2.gz GMZFJCFKEPLYBU-RYUDHWBXSA-N 2 0 228.405 1.956 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CSCCS1 ZINC000253036921 135120207 /nfs/dbraw/zinc/12/02/07/135120207.db2.gz XTBGDNCUMRMMET-GARJFASQSA-N 2 0 246.445 1.552 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN(C)CCOCC1CC1 ZINC000087399840 135128538 /nfs/dbraw/zinc/12/85/38/135128538.db2.gz KISRKBGDBLELFD-CYBMUJFWSA-N 2 0 228.380 1.718 20 0 BDADRP Cc1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)no1 ZINC000257684173 135139224 /nfs/dbraw/zinc/13/92/24/135139224.db2.gz LUJQPPDDNUYKSI-UHFFFAOYSA-N 2 0 235.331 1.559 20 0 BDADRP c1cncc(CC[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000257680882 135139301 /nfs/dbraw/zinc/13/93/01/135139301.db2.gz LAIBUIZXHZWECF-UHFFFAOYSA-N 2 0 245.370 1.700 20 0 BDADRP Cc1n[nH]cc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257710586 135140440 /nfs/dbraw/zinc/14/04/40/135140440.db2.gz STODAEORPFHLOJ-UHFFFAOYSA-N 2 0 234.347 1.294 20 0 BDADRP c1cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)ccn1 ZINC000259413154 135142331 /nfs/dbraw/zinc/14/23/31/135142331.db2.gz YRCSOODMJWDEKM-OAHLLOKOSA-N 2 0 245.370 1.903 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCSC1 ZINC000261528600 135154543 /nfs/dbraw/zinc/15/45/43/135154543.db2.gz MNZUIWMKZQMCCZ-DCAQKATOSA-N 2 0 214.378 1.599 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](C[C@H]2CCSC2)C1 ZINC000261530042 135156929 /nfs/dbraw/zinc/15/69/29/135156929.db2.gz XKHRNJLSPWVVKG-GHMZBOCLSA-N 2 0 214.378 1.410 20 0 BDADRP C[C@H]1CSC[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000261530382 135157593 /nfs/dbraw/zinc/15/75/93/135157593.db2.gz ZFFXTZKSYNSNCC-PMUOWJKOSA-N 2 0 214.378 1.597 20 0 BDADRP c1ccc(CC[NH2+]C[C@@H]2CCC[NH2+]C2)nc1 ZINC000087646007 135161265 /nfs/dbraw/zinc/16/12/65/135161265.db2.gz GFQNMILFVRHMBQ-GFCCVEGCSA-N 2 0 219.332 1.213 20 0 BDADRP COc1ccc(CN2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000261532372 135162324 /nfs/dbraw/zinc/16/23/24/135162324.db2.gz AECDWJXEJKCCLM-GXFFZTMASA-N 2 0 220.316 1.474 20 0 BDADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1(CO)CC1 ZINC000261532410 135162585 /nfs/dbraw/zinc/16/25/85/135162585.db2.gz BCXIEJMTHOKLGH-NWDGAFQWSA-N 2 0 226.364 1.412 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@H+](C[C@H]2CCSC2)C1 ZINC000261532847 135163060 /nfs/dbraw/zinc/16/30/60/135163060.db2.gz KKEHBGARZMRBAL-VXGBXAGGSA-N 2 0 228.405 1.671 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@@H]3CCSC3)C[C@H]12 ZINC000261532770 135163163 /nfs/dbraw/zinc/16/31/63/135163163.db2.gz KDBJUIBLSMESAE-WHOHXGKFSA-N 2 0 226.389 1.409 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCOC[C@H]2C)CC[NH2+]1 ZINC000261533241 135163861 /nfs/dbraw/zinc/16/38/61/135163861.db2.gz KMWGHAQLRWSNJM-UTUOFQBUSA-N 2 0 212.337 1.095 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCN(C)C[C@H]2C)CC[NH2+]1 ZINC000261533049 135164258 /nfs/dbraw/zinc/16/42/58/135164258.db2.gz GIYIOZUMWLIMNE-JHJVBQTASA-N 2 0 225.380 1.010 20 0 BDADRP COCC[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)C1CC1 ZINC000261533957 135165606 /nfs/dbraw/zinc/16/56/06/135165606.db2.gz MBAKWNSZSLGKAI-VXGBXAGGSA-N 2 0 226.364 1.485 20 0 BDADRP Cc1ccoc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000261536037 135171599 /nfs/dbraw/zinc/17/15/99/135171599.db2.gz QEJALCLUPQDGMA-MNOVXSKESA-N 2 0 208.305 1.805 20 0 BDADRP Cc1[nH+]ccc(N2CC[C@H]([NH3+])[C@@H]2C)c1Cl ZINC000261538953 135177198 /nfs/dbraw/zinc/17/71/98/135177198.db2.gz ZZDPIXMTMIZUIY-IUCAKERBSA-N 2 0 225.723 1.969 20 0 BDADRP C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000261539343 135177647 /nfs/dbraw/zinc/17/76/47/135177647.db2.gz CEIHLMAIGROKGF-JHJVBQTASA-N 2 0 208.349 1.718 20 0 BDADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cccc(F)c3)C[C@@H]12 ZINC000261542692 135183121 /nfs/dbraw/zinc/18/31/21/135183121.db2.gz CHQAVAFCLSQCNI-IACUBPJLSA-N 2 0 234.318 1.995 20 0 BDADRP COC[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000261543240 135183667 /nfs/dbraw/zinc/18/36/67/135183667.db2.gz RYLBSQSQVIDPHS-MGPQQGTHSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H](c1ccccn1)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261544355 135185310 /nfs/dbraw/zinc/18/53/10/135185310.db2.gz DTTFGHRVXBJJHE-YVECIDJPSA-N 2 0 231.343 1.812 20 0 BDADRP CO[C@H](C)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000261544688 135185784 /nfs/dbraw/zinc/18/57/84/135185784.db2.gz YTTYLMAJYFGYSP-XJFOESAGSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]1CCSCC[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261544525 135185916 /nfs/dbraw/zinc/18/59/16/135185916.db2.gz IYRKAOYZBPUQBP-VXGBXAGGSA-N 2 0 228.405 1.813 20 0 BDADRP Cc1cnn(CC[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000261549020 135187410 /nfs/dbraw/zinc/18/74/10/135187410.db2.gz KDHIASSEWPTDNB-OLZOCXBDSA-N 2 0 236.363 1.251 20 0 BDADRP CC1(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)CCC1 ZINC000261549292 135188712 /nfs/dbraw/zinc/18/87/12/135188712.db2.gz KIJAOWDMEGDXSE-ZDUSSCGKSA-N 2 0 237.391 1.156 20 0 BDADRP COc1cccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)c1 ZINC000261550308 135189001 /nfs/dbraw/zinc/18/90/01/135189001.db2.gz LFBJQLYJVKDFGW-BXUZGUMPSA-N 2 0 234.343 1.783 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1NCC[NH+]1CCCC1 ZINC000084215697 135191860 /nfs/dbraw/zinc/19/18/60/135191860.db2.gz MWZIATKQBGNOIL-CHWSQXEVSA-N 2 0 225.380 1.189 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000084216307 135192240 /nfs/dbraw/zinc/19/22/40/135192240.db2.gz OODNOXPNNFINRG-AVGNSLFASA-N 2 0 226.364 1.520 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccncc1 ZINC000084218147 135193044 /nfs/dbraw/zinc/19/30/44/135193044.db2.gz ZHTRZCMQAJFFHQ-NWDGAFQWSA-N 2 0 205.305 1.299 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCC1CCOCC1 ZINC000261561090 135202015 /nfs/dbraw/zinc/20/20/15/135202015.db2.gz VBLMUKKOSUIYLL-KGLIPLIRSA-N 2 0 240.391 1.910 20 0 BDADRP Oc1cccc(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261562184 135203794 /nfs/dbraw/zinc/20/37/94/135203794.db2.gz WATMDOKBIRQXSW-JSGCOSHPSA-N 2 0 232.327 1.576 20 0 BDADRP C[C@H]([NH3+])CN(C)CCOc1ccccc1F ZINC000261563776 135205181 /nfs/dbraw/zinc/20/51/81/135205181.db2.gz BZLJDNYBHLIFBB-JTQLQIEISA-N 2 0 226.295 1.484 20 0 BDADRP C[N@H+](CC[C@@H]1CCOC1)CC(C)(C)C[NH3+] ZINC000261564089 135206055 /nfs/dbraw/zinc/20/60/55/135206055.db2.gz CFXXRBKBBFGQAH-LLVKDONJSA-N 2 0 214.353 1.330 20 0 BDADRP CCCn1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cn1 ZINC000261564763 135206917 /nfs/dbraw/zinc/20/69/17/135206917.db2.gz HMELBCAFWBOORT-MJBXVCDLSA-N 2 0 248.374 1.462 20 0 BDADRP C[C@@H](O)C[C@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261570980 135213055 /nfs/dbraw/zinc/21/30/55/135213055.db2.gz HGIIEYRPNYLEAJ-DGCLKSJQSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H](O)C[C@@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261570982 135213480 /nfs/dbraw/zinc/21/34/80/135213480.db2.gz HGIIEYRPNYLEAJ-YPMHNXCESA-N 2 0 226.364 1.221 20 0 BDADRP [NH3+]C[C@H]1CCN(Cc2cc(F)cc(F)c2)C1 ZINC000164138922 135213590 /nfs/dbraw/zinc/21/35/90/135213590.db2.gz PMGBTWNDHDUTKK-SECBINFHSA-N 2 0 226.270 1.745 20 0 BDADRP Cc1nn(C)c(C)c1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261579702 135220271 /nfs/dbraw/zinc/22/02/71/135220271.db2.gz PQOGSUVXDXWWLJ-YUTCNCBUSA-N 2 0 248.374 1.206 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCc2ccccc2C1)[C@H](C)[NH3+] ZINC000261580247 135220474 /nfs/dbraw/zinc/22/04/74/135220474.db2.gz MUUSGEAJCXNHND-MISXGVKJSA-N 2 0 218.344 1.869 20 0 BDADRP C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCCO1 ZINC000261580712 135221845 /nfs/dbraw/zinc/22/18/45/135221845.db2.gz NCOPPTUZYVTCDG-XQQFMLRXSA-N 2 0 224.348 1.097 20 0 BDADRP COCC1(C[NH2+][C@@H]2CCC[NH2+]CC2)CCC1 ZINC000261581758 135222874 /nfs/dbraw/zinc/22/28/74/135222874.db2.gz NXGKRMZFFQBQER-GFCCVEGCSA-N 2 0 226.364 1.535 20 0 BDADRP Cn1cc([C@@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)cn1 ZINC000261584909 135226180 /nfs/dbraw/zinc/22/61/80/135226180.db2.gz SQDZECGIXWECNK-OCCSQVGLSA-N 2 0 248.374 1.557 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H](O)C2)c2ccccc21 ZINC000261585850 135226716 /nfs/dbraw/zinc/22/67/16/135226716.db2.gz TZBDATARGYFGRM-BVIHXZOGSA-N 2 0 246.354 1.882 20 0 BDADRP Cc1cc(N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc[nH+]1 ZINC000261586703 135227734 /nfs/dbraw/zinc/22/77/34/135227734.db2.gz RIXWMHSRCOFBOT-UHTWSYAYSA-N 2 0 217.316 1.564 20 0 BDADRP CC1(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CCC1 ZINC000261548233 135241463 /nfs/dbraw/zinc/24/14/63/135241463.db2.gz JDRDJBIMYGLKSF-ZDUSSCGKSA-N 2 0 237.391 1.156 20 0 BDADRP CCc1ccc([C@H]2C[NH2+]CCN2C[C@@H](C)[NH3+])cc1 ZINC000261689185 135246048 /nfs/dbraw/zinc/24/60/48/135246048.db2.gz IXSCBVLSUWFLKL-IUODEOHRSA-N 2 0 247.386 1.543 20 0 BDADRP C[C@@H]1CN(C[C@]2(C)CC[NH2+]C2)C[C@@H](C2CC2)O1 ZINC000261734704 135248862 /nfs/dbraw/zinc/24/88/62/135248862.db2.gz HPNGHVSAAIGICJ-KWCYVHTRSA-N 2 0 238.375 1.485 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC[C@H]3CCOC3)C[C@H]12 ZINC000261751483 135249730 /nfs/dbraw/zinc/24/97/30/135249730.db2.gz CFEMUPDTNBXWJN-QNWHQSFQSA-N 2 0 224.348 1.082 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000261809950 135254209 /nfs/dbraw/zinc/25/42/09/135254209.db2.gz GNXFNTAQLJKLNY-NWDGAFQWSA-N 2 0 241.379 1.010 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000261833776 135255970 /nfs/dbraw/zinc/25/59/70/135255970.db2.gz JIIBOUWMLFHXBU-MGPQQGTHSA-N 2 0 238.375 1.344 20 0 BDADRP CC(C)CO[C@@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261930155 135263402 /nfs/dbraw/zinc/26/34/02/135263402.db2.gz CRLZKNNIDQRWKA-ZIAGYGMSSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H]([NH2+]C1CC[NH2+]CC1)[C@@H]1CCCCO1 ZINC000261986183 135269706 /nfs/dbraw/zinc/26/97/06/135269706.db2.gz JZELNBBXCIQSQE-JQWIXIFHSA-N 2 0 212.337 1.286 20 0 BDADRP C(C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)[C@@H]1CCOC1 ZINC000261997215 135270496 /nfs/dbraw/zinc/27/04/96/135270496.db2.gz KYECFSVHPLATGM-OLZOCXBDSA-N 2 0 224.348 1.098 20 0 BDADRP CC[N@H+](C)C[C@@H]1CCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262006823 135272522 /nfs/dbraw/zinc/27/25/22/135272522.db2.gz LWVNYZFQGFZIEJ-KBPBESRZSA-N 2 0 239.407 1.260 20 0 BDADRP CC[N@@H+]1C[C@H](C)N(C[C@@H]2CCC[NH2+]C2)C[C@H]1C ZINC000262030874 135273843 /nfs/dbraw/zinc/27/38/43/135273843.db2.gz XDKRHSCEZAEDFG-HZSPNIEDSA-N 2 0 239.407 1.401 20 0 BDADRP CC[C@@]1(CO)CCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000262023503 135274205 /nfs/dbraw/zinc/27/42/05/135274205.db2.gz WLHBXXPUDYEHFO-OLZOCXBDSA-N 2 0 226.364 1.223 20 0 BDADRP Cn1cc([C@H]2CC[N@H+](C[C@@]3(C)CC[NH2+]C3)C2)cn1 ZINC000262103500 135278218 /nfs/dbraw/zinc/27/82/18/135278218.db2.gz VTZBFOCCVLKTMC-JSGCOSHPSA-N 2 0 248.374 1.209 20 0 BDADRP CCCN(CC1CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC000262229726 135286350 /nfs/dbraw/zinc/28/63/50/135286350.db2.gz NQPBWKPNUGORBB-CYBMUJFWSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@H](C[NH3+])C(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000262222828 135286377 /nfs/dbraw/zinc/28/63/77/135286377.db2.gz PHGKEFVNFUJFKU-SNVBAGLBSA-N 2 0 247.342 1.019 20 0 BDADRP [NH3+][C@@H](CNC(=O)C1([NH3+])CCCC1)c1ccccc1 ZINC000262404651 135295126 /nfs/dbraw/zinc/29/51/26/135295126.db2.gz ARXCVRXEZXDYAL-LBPRGKRZSA-N 2 0 247.342 1.074 20 0 BDADRP C[N@H+](CC[C@H]1CCCO1)CC[C@H]1CCC[NH+]1C ZINC000342607917 135302577 /nfs/dbraw/zinc/30/25/77/135302577.db2.gz RWAMHLBMILFIKC-ZIAGYGMSSA-N 2 0 240.391 1.972 20 0 BDADRP CCC1CC([NH2+]C[C@H](O)C[NH+]2CCCCC2)C1 ZINC000342672527 135309142 /nfs/dbraw/zinc/30/91/42/135309142.db2.gz CWLVDJIYPNBIKV-RUXDESIVSA-N 2 0 240.391 1.611 20 0 BDADRP NC(=[NH2+])NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000262773588 135317426 /nfs/dbraw/zinc/31/74/26/135317426.db2.gz IKEVMUVOQSYBCL-UHFFFAOYSA-N 2 0 238.379 1.516 20 0 BDADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC[NH3+])C1 ZINC000263061895 135330147 /nfs/dbraw/zinc/33/01/47/135330147.db2.gz VMHNMYDUWDQRBH-KBPBESRZSA-N 2 0 239.407 1.532 20 0 BDADRP C([C@@H]1CCOC1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000334310866 135350867 /nfs/dbraw/zinc/35/08/67/135350867.db2.gz KZUGTPUJYFZDJZ-JSGCOSHPSA-N 2 0 238.375 1.344 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CCCN2CC[NH+](C)CC2)C1 ZINC000080427711 135375020 /nfs/dbraw/zinc/37/50/20/135375020.db2.gz VVMJPHKBRUHIDD-KGLIPLIRSA-N 2 0 239.407 1.402 20 0 BDADRP CC[N@H+](CC[C@H]1CC[NH2+]C1)C[C@@H]1CCCO1 ZINC000084385166 135470472 /nfs/dbraw/zinc/47/04/72/135470472.db2.gz QOTPVCHSKADSDY-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]CC1CCOCC1 ZINC000086496301 135492823 /nfs/dbraw/zinc/49/28/23/135492823.db2.gz CDYKPXAUMQJUTE-WCQYABFASA-N 2 0 226.364 1.533 20 0 BDADRP OCCCC[N@H+](CC1CC[NH2+]CC1)C1CC1 ZINC000086703886 135494767 /nfs/dbraw/zinc/49/47/67/135494767.db2.gz ZLHBZVQJVCVOOF-UHFFFAOYSA-N 2 0 226.364 1.223 20 0 BDADRP CO[C@@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000230314928 135529016 /nfs/dbraw/zinc/52/90/16/135529016.db2.gz OTUINOLSYIESRG-CYBMUJFWSA-N 2 0 226.364 1.487 20 0 BDADRP CC(C)C[C@H]([NH3+])CN(C)CC1([NH+](C)C)CCC1 ZINC000097937299 135633476 /nfs/dbraw/zinc/63/34/76/135633476.db2.gz KEFOPOUXCTVKJT-ZDUSSCGKSA-N 2 0 241.423 1.776 20 0 BDADRP Oc1cccnc1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000347882896 136014915 /nfs/dbraw/zinc/01/49/15/136014915.db2.gz VIXKYRVEYUCOIZ-NWDGAFQWSA-N 2 0 247.342 1.504 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1C[C@H]1C(F)F ZINC000348156666 136040791 /nfs/dbraw/zinc/04/07/91/136040791.db2.gz ITHHUOWOUMUFOI-APLZJWDSSA-N 2 0 232.318 1.958 20 0 BDADRP FC(F)[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000348215889 136046188 /nfs/dbraw/zinc/04/61/88/136046188.db2.gz BUTLZFDGGLYDDM-DBIOUOCHSA-N 2 0 230.302 1.856 20 0 BDADRP F[C@@H]1CCC[C@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC000335386119 136089028 /nfs/dbraw/zinc/08/90/28/136089028.db2.gz MZXYFYWKPNEAIU-KOLCDFICSA-N 2 0 200.301 1.609 20 0 BDADRP FC(F)C1CCC([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000335562875 136106760 /nfs/dbraw/zinc/10/67/60/136106760.db2.gz ZKGRRJYNSIFPQG-AUYFUSPOSA-N 2 0 230.302 1.618 20 0 BDADRP C[C@H]1CCNC[C@@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000335566774 136107754 /nfs/dbraw/zinc/10/77/54/136107754.db2.gz WCVHDCDOYHHVTC-STQMWFEESA-N 2 0 239.407 1.306 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@H]3CCOC3)C2)C1 ZINC000335570383 136109076 /nfs/dbraw/zinc/10/90/76/136109076.db2.gz NBDDVQNAZHIKSU-CHWSQXEVSA-N 2 0 224.348 1.051 20 0 BDADRP CO[C@@H](C)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000335571677 136109825 /nfs/dbraw/zinc/10/98/25/136109825.db2.gz ZNIKERQHRUTZGJ-RYUDHWBXSA-N 2 0 212.337 1.049 20 0 BDADRP C[C@H]1C[C@@H](C[N@@H+]2CCNCC2(C)C)CC[NH2+]1 ZINC000647500457 397759034 /nfs/dbraw/zinc/75/90/34/397759034.db2.gz REZZGEPYLHOBCZ-RYUDHWBXSA-N 2 0 225.380 1.058 20 0 BDADRP CO[C@]1(C)CCCN(CC[NH2+]C(C)C)CC1 ZINC000373590314 397777494 /nfs/dbraw/zinc/77/74/94/397777494.db2.gz APCHKUMETDBOHD-CYBMUJFWSA-N 2 0 228.380 1.875 20 0 BDADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCn1cccn1 ZINC000082594410 397965521 /nfs/dbraw/zinc/96/55/21/397965521.db2.gz FYGDKENNMBXWDC-LBPRGKRZSA-N 2 0 222.336 1.086 20 0 BDADRP C[C@@H]([NH3+])CC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000358915298 397943388 /nfs/dbraw/zinc/94/33/88/397943388.db2.gz OFCAVRIQHUGQRR-GFCCVEGCSA-N 2 0 249.358 1.101 20 0 BDADRP CCC[C@@H](C[NH2+]C[C@@H]1CCC[N@H+](C)C1)OC ZINC000382393278 397945922 /nfs/dbraw/zinc/94/59/22/397945922.db2.gz MZPBAADHKMRPHE-STQMWFEESA-N 2 0 228.380 1.733 20 0 BDADRP CC[N@@H+]1C[C@H](C)N(C[C@H]2CCC[NH+]2C)C[C@@H]1C ZINC000649571763 397963065 /nfs/dbraw/zinc/96/30/65/397963065.db2.gz WBGBXZNRAKJZEC-MELADBBJSA-N 2 0 239.407 1.495 20 0 BDADRP CN1CCC[C@@H]1C[NH2+][C@H](CCO)c1ccccc1 ZINC000649574057 397963188 /nfs/dbraw/zinc/96/31/88/397963188.db2.gz ZHKKHSNVQKLJIB-HUUCEWRRSA-N 2 0 248.370 1.794 20 0 BDADRP [NH3+]C1(c2noc([C@H]3CCC[NH2+]CC3)n2)CCC1 ZINC000650228150 397997970 /nfs/dbraw/zinc/99/79/70/397997970.db2.gz VBYKHWIILWSFSU-VIFPVBQESA-N 2 0 236.319 1.265 20 0 BDADRP C1C[NH2+][C@@H](c2noc([C@H]3CCC[NH2+]CC3)n2)C1 ZINC000650227978 397998014 /nfs/dbraw/zinc/99/80/14/397998014.db2.gz PYEUHMCAEIAZAC-VHSXEESVSA-N 2 0 236.319 1.351 20 0 BDADRP COCCCC[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000164643796 397999918 /nfs/dbraw/zinc/99/99/18/397999918.db2.gz JRZHALIPDXOQHE-RYUDHWBXSA-N 2 0 214.353 1.330 20 0 BDADRP c1cn(CC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cn1 ZINC000121003184 398002000 /nfs/dbraw/zinc/00/20/00/398002000.db2.gz IGSXVMNIRGXSHM-XQQFMLRXSA-N 2 0 247.342 1.430 20 0 BDADRP CO[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CC1 ZINC000383262630 398013525 /nfs/dbraw/zinc/01/35/25/398013525.db2.gz TWENTPMCNABILR-GSPSYOTPSA-N 2 0 238.375 1.626 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCNC[C@@](C)(F)C2)CC[NH2+]1 ZINC000414764839 398027895 /nfs/dbraw/zinc/02/78/95/398027895.db2.gz BEKXLAOCUFVXLT-FRRDWIJNSA-N 2 0 243.370 1.008 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCNC[C@](C)(F)C2)CC[NH2+]1 ZINC000414764841 398027968 /nfs/dbraw/zinc/02/79/68/398027968.db2.gz BEKXLAOCUFVXLT-UPJWGTAASA-N 2 0 243.370 1.008 20 0 BDADRP C[C@@H]1[C@H](O)CC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000650190194 397972390 /nfs/dbraw/zinc/97/23/90/397972390.db2.gz BKOCIICJYQUABJ-CHWSQXEVSA-N 2 0 226.364 1.318 20 0 BDADRP COc1cccc2c1CC[C@H]([NH2+]CC[C@H](C)[NH3+])C2 ZINC000414818297 398043355 /nfs/dbraw/zinc/04/33/55/398043355.db2.gz DNFYQDWJSNIGQF-AAEUAGOBSA-N 2 0 248.370 1.879 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000393770305 398060128 /nfs/dbraw/zinc/06/01/28/398060128.db2.gz AFCQOKFFSYZBSG-OKZRHMCRSA-N 2 0 228.380 1.872 20 0 BDADRP CC(C)(CO)C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000643475060 398076399 /nfs/dbraw/zinc/07/63/99/398076399.db2.gz ULNIBISUQBXFPD-WDEREUQCSA-N 2 0 214.353 1.255 20 0 BDADRP C[C@]1(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)CCOC1 ZINC000397229571 398055294 /nfs/dbraw/zinc/05/52/94/398055294.db2.gz PTFPACQKMGITOB-SDDRHHMPSA-N 2 0 212.337 1.273 20 0 BDADRP CO[C@@H](C[NH2+]CCCC[NH+](C)C)C1CC1 ZINC000400278172 398106766 /nfs/dbraw/zinc/10/67/66/398106766.db2.gz HKNIJIRZALWJKP-LBPRGKRZSA-N 2 0 214.353 1.343 20 0 BDADRP CC[NH+](CC)CCCNC[C@H]([NH3+])CC(C)C ZINC000107785815 322862232 /nfs/dbraw/zinc/86/22/32/322862232.db2.gz QFLYPWJQFFHLHB-CYBMUJFWSA-N 2 0 229.412 1.681 20 0 BDADRP CS[C@H](C)C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000090725155 398111751 /nfs/dbraw/zinc/11/17/51/398111751.db2.gz QIACHTAZQDGYER-AXFHLTTASA-N 2 0 216.394 1.668 20 0 BDADRP C(C[NH2+]C[C@H]1CCSC1)C[C@@H]1CCC[NH2+]1 ZINC000414969858 398131506 /nfs/dbraw/zinc/13/15/06/398131506.db2.gz UHEARNWMKNPBSE-VXGBXAGGSA-N 2 0 228.405 1.861 20 0 BDADRP COC[C@@]1(C[NH2+]CC(C)C)CCC[NH2+]1 ZINC000414948253 398122208 /nfs/dbraw/zinc/12/22/08/398122208.db2.gz WXCKUMXURBXFDE-NSHDSACASA-N 2 0 200.326 1.001 20 0 BDADRP CC(C)[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000360928391 167030650 /nfs/dbraw/zinc/03/06/50/167030650.db2.gz UBACTOHFIHUTLQ-AVGNSLFASA-N 2 0 208.349 1.811 20 0 BDADRP CC(C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000119268087 167095999 /nfs/dbraw/zinc/09/59/99/167095999.db2.gz CIISFTSCLFYBLJ-KGLIPLIRSA-N 2 0 240.391 1.752 20 0 BDADRP c1ccc(C[NH2+]CC[C@H]2CCC[NH2+]C2)nc1 ZINC000258678638 322875015 /nfs/dbraw/zinc/87/50/15/322875015.db2.gz IDKJMPCHGGEYBO-GFCCVEGCSA-N 2 0 219.332 1.561 20 0 BDADRP C([C@@H]1CC[N@@H+]([C@H]2CCCOC2)C1)[NH+]1CCCC1 ZINC000674303617 487558048 /nfs/dbraw/zinc/55/80/48/487558048.db2.gz XNXJZJVWYMVRMH-KBPBESRZSA-N 2 0 238.375 1.583 20 0 BDADRP C[C@@H](CCCCO)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000666172090 487571784 /nfs/dbraw/zinc/57/17/84/487571784.db2.gz ALVOURHWLWVCEM-KBPBESRZSA-N 2 0 242.407 1.859 20 0 BDADRP [NH3+]CCC[NH+]1CCC(c2ccco2)CC1 ZINC000057495529 487575513 /nfs/dbraw/zinc/57/55/13/487575513.db2.gz NLFVQBTYAVODBQ-UHFFFAOYSA-N 2 0 208.305 1.808 20 0 BDADRP CC(C)OCCC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000082549821 167214060 /nfs/dbraw/zinc/21/40/60/167214060.db2.gz YMPFGFYTIUFGHO-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP CC(C)OC[C@@H](C)[NH2+]CCC[NH+](C)C ZINC000308647872 167255753 /nfs/dbraw/zinc/25/57/53/167255753.db2.gz IOUBAIABUAKLOP-LLVKDONJSA-N 2 0 202.342 1.341 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)CS1 ZINC000086935658 487592860 /nfs/dbraw/zinc/59/28/60/487592860.db2.gz ZVFBKKYLJKXTAH-PWSUYJOCSA-N 2 0 228.405 1.812 20 0 BDADRP Cc1ccncc1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000162657230 487607897 /nfs/dbraw/zinc/60/78/97/487607897.db2.gz YGJNSJNUMYWQSO-GXTWGEPZSA-N 2 0 233.359 1.997 20 0 BDADRP Cc1cc(C[NH+]2CCC([C@H](C)[NH3+])CC2)nc(C)n1 ZINC000662247193 409544141 /nfs/dbraw/zinc/54/41/41/409544141.db2.gz VFYBNQCHPXDVNV-NSHDSACASA-N 2 0 248.374 1.653 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@H](OC)C2CCC2)C1 ZINC000662247160 409544767 /nfs/dbraw/zinc/54/47/67/409544767.db2.gz UKRGGAIIMMZYNE-AAEUAGOBSA-N 2 0 226.364 1.343 20 0 BDADRP CO[C@H](C[NH2+][C@](C)(C[NH3+])C1CC1)C1CCCC1 ZINC000662248195 409546639 /nfs/dbraw/zinc/54/66/39/409546639.db2.gz VXHPBLBJYRLEIC-ZIAGYGMSSA-N 2 0 240.391 1.909 20 0 BDADRP C[N@H+](CC[C@@H]1CCc2ccccc21)C[C@H](O)C[NH3+] ZINC000662276527 409591223 /nfs/dbraw/zinc/59/12/23/409591223.db2.gz JTKPAWSVUGXLLS-UONOGXRCSA-N 2 0 248.370 1.358 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC1CC=CC1 ZINC000662276811 409591554 /nfs/dbraw/zinc/59/15/54/409591554.db2.gz LDVHUJGVRCWIBC-GFCCVEGCSA-N 2 0 208.349 1.930 20 0 BDADRP CC(C)=CCC[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000662281807 409603906 /nfs/dbraw/zinc/60/39/06/409603906.db2.gz PHEVDENCMADONC-GFCCVEGCSA-N 2 0 212.337 1.392 20 0 BDADRP C[C@H]([NH2+]C[C@@H](O)C1CCC1)C1CC[NH+](C)CC1 ZINC000316009310 410096077 /nfs/dbraw/zinc/09/60/77/410096077.db2.gz RQORNEVDDLSWOZ-SMDDNHRTSA-N 2 0 240.391 1.467 20 0 BDADRP CC(C)C[N@H+](C)CCCNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000653175994 410152126 /nfs/dbraw/zinc/15/21/26/410152126.db2.gz HSEIWTLCTMDJQE-NWDGAFQWSA-N 2 0 243.395 1.064 20 0 BDADRP C[NH2+]Cc1ccccc1CNC(=O)CC[C@H](C)[NH3+] ZINC000653214255 410166594 /nfs/dbraw/zinc/16/65/94/410166594.db2.gz NBRWSJSUDMDKME-NSHDSACASA-N 2 0 249.358 1.150 20 0 BDADRP C[C@@H]1CCCN(C(=O)CC(C)(C)[NH3+])[C@@H]1CC[NH3+] ZINC000653233449 410175446 /nfs/dbraw/zinc/17/54/46/410175446.db2.gz WSMPWIKFWRGIIS-GHMZBOCLSA-N 2 0 241.379 1.090 20 0 BDADRP C[C@H]1C[NH2+]CC[C@H]1C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000663495988 410274536 /nfs/dbraw/zinc/27/45/36/410274536.db2.gz BSVLWXWSSQGXBS-WFASDCNBSA-N 3 0 247.386 1.481 20 0 BDADRP CCC[NH+]1CCC(NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000663503029 410278337 /nfs/dbraw/zinc/27/83/37/410278337.db2.gz MDTQMJIMHMWHKK-CQSZACIVSA-N 2 0 241.423 1.824 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000655454065 410324285 /nfs/dbraw/zinc/32/42/85/410324285.db2.gz VUXFAAVBRSEFSE-LBPRGKRZSA-N 2 0 247.342 1.474 20 0 BDADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000650706316 410337881 /nfs/dbraw/zinc/33/78/81/410337881.db2.gz IPZKWXJLCSRWPA-MGPQQGTHSA-N 2 0 238.375 1.615 20 0 BDADRP NC(=O)c1ccc(C[NH2+]CCC2(C[NH3+])CC2)cc1 ZINC000650712528 410342030 /nfs/dbraw/zinc/34/20/30/410342030.db2.gz IFRSYKBDCDRKQT-UHFFFAOYSA-N 2 0 247.342 1.004 20 0 BDADRP Cc1n[nH]cc1C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000650711541 410342216 /nfs/dbraw/zinc/34/22/16/410342216.db2.gz WPTIVBZEYCZTLC-GXFFZTMASA-N 2 0 236.363 1.667 20 0 BDADRP CC(C)(C)[NH2+]CC[NH2+]CCC1(C[NH3+])CC1 ZINC000650713956 410345558 /nfs/dbraw/zinc/34/55/58/410345558.db2.gz LAETZZCKBDLLIJ-UHFFFAOYSA-N 3 0 213.369 1.093 20 0 BDADRP CC[C@@H](COC)[NH2+]CCC1(C[NH3+])CC1 ZINC000650714083 410348837 /nfs/dbraw/zinc/34/88/37/410348837.db2.gz QOMFQBGUWGCKDC-JTQLQIEISA-N 2 0 200.326 1.130 20 0 BDADRP C[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650718107 410356519 /nfs/dbraw/zinc/35/65/19/410356519.db2.gz YFZMDOMMAINWMC-RNCFNFMXSA-N 2 0 238.306 1.551 20 0 BDADRP C[NH2+]Cc1ccccc1CNC[C@@H]([NH3+])CC(C)C ZINC000650720589 410359202 /nfs/dbraw/zinc/35/92/02/410359202.db2.gz VAJSUZZFQUOMRB-HNNXBMFYSA-N 3 0 249.402 1.869 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCC2(C[NH3+])CC2)CC[N@@H+]1C ZINC000650744588 410380368 /nfs/dbraw/zinc/38/03/68/410380368.db2.gz RILJYGNFQLWRGG-NEPJUHHUSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)[C@H]1CCOC1 ZINC000650744418 410381479 /nfs/dbraw/zinc/38/14/79/410381479.db2.gz NMNSPFMAZMNFIZ-QWRGUYRKSA-N 2 0 212.337 1.130 20 0 BDADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)[C@@H]1CCCOC1 ZINC000650745599 410382619 /nfs/dbraw/zinc/38/26/19/410382619.db2.gz KHBVEQXKPNNWEF-VXGBXAGGSA-N 2 0 226.364 1.520 20 0 BDADRP Cn1ccnc1[C@H]([NH2+]CCC1(C[NH3+])CC1)C1CC1 ZINC000650745778 410382939 /nfs/dbraw/zinc/38/29/39/410382939.db2.gz NQHOIKYGDGCDGA-GFCCVEGCSA-N 2 0 248.374 1.590 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCC2(C[NH3+])CC2)CN1C1CC1 ZINC000650745529 410383339 /nfs/dbraw/zinc/38/33/39/410383339.db2.gz IQGNTNFRLZOIJL-VXGBXAGGSA-N 2 0 237.391 1.330 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650761554 410408735 /nfs/dbraw/zinc/40/87/35/410408735.db2.gz CCTNHXWCBYNPSN-ZIAGYGMSSA-N 3 0 239.407 1.626 20 0 BDADRP Cn1ncc(C2CC2)c1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000665264964 410737037 /nfs/dbraw/zinc/73/70/37/410737037.db2.gz MYNQMNIMBVLDMP-WCQYABFASA-N 2 0 248.374 1.515 20 0 BDADRP CC(C)(F)CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000665261365 410737311 /nfs/dbraw/zinc/73/73/11/410737311.db2.gz ACEJUMHTLKSBRZ-VHSXEESVSA-N 2 0 202.317 1.984 20 0 BDADRP CC(C)(F)CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000665261364 410737403 /nfs/dbraw/zinc/73/74/03/410737403.db2.gz ACEJUMHTLKSBRZ-UWVGGRQHSA-N 2 0 202.317 1.984 20 0 BDADRP Cc1cncc(CC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000665274076 410743707 /nfs/dbraw/zinc/74/37/07/410743707.db2.gz JHADMQWUSDVKTB-OCCSQVGLSA-N 2 0 248.374 1.435 20 0 BDADRP C([NH2+][C@H]1CCC12CCC2)C12CC(C1)C[NH2+]2 ZINC000665279616 410755507 /nfs/dbraw/zinc/75/55/07/410755507.db2.gz HHJIJTVWIBBDCX-AKJDGMEZSA-N 2 0 206.333 1.661 20 0 BDADRP CC[C@@H]([NH2+]CC[C@@H]([NH3+])C(C)C)[C@H]1CCOC1 ZINC000665280822 410757113 /nfs/dbraw/zinc/75/71/13/410757113.db2.gz MJCFIGWPKDYYPJ-YNEHKIRRSA-N 2 0 228.380 1.765 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000653299377 410813803 /nfs/dbraw/zinc/81/38/03/410813803.db2.gz RGOJROFGCOQRMH-QWHCGFSZSA-N 2 0 227.396 1.530 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@H](C)[NH3+] ZINC000037607232 169776489 /nfs/dbraw/zinc/77/64/89/169776489.db2.gz WUCDNMGZDCGXOG-RYUDHWBXSA-N 2 0 243.395 1.350 20 0 BDADRP C[C@H]([NH3+])CC(=O)NCc1ccccc1C[NH+](C)C ZINC000040855298 410897109 /nfs/dbraw/zinc/89/71/09/410897109.db2.gz JGCBEGQYJZFXGC-NSHDSACASA-N 2 0 249.358 1.102 20 0 BDADRP CC(C)[NH2+]CCN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000370467357 167103772 /nfs/dbraw/zinc/10/37/72/167103772.db2.gz BDXSVTJYDTVMBK-CQSZACIVSA-N 2 0 239.407 1.545 20 0 BDADRP COC[C@@H]([NH2+]CCC[NH2+]C(C)C)C1CC1 ZINC000398034280 410940124 /nfs/dbraw/zinc/94/01/24/410940124.db2.gz MNHIZVROGFUEHZ-GFCCVEGCSA-N 2 0 214.353 1.389 20 0 BDADRP C[C@H](CCCCO)[NH2+]CCC[NH2+]C1CC1 ZINC000398479996 410967548 /nfs/dbraw/zinc/96/75/48/410967548.db2.gz LMPOYKBJRCGHBA-LLVKDONJSA-N 2 0 214.353 1.269 20 0 BDADRP OC[C@H](CCF)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000652020353 411025868 /nfs/dbraw/zinc/02/58/68/411025868.db2.gz UMFCQOCHJULROE-ZDUSSCGKSA-N 2 0 244.354 1.171 20 0 BDADRP COCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000106878772 411130392 /nfs/dbraw/zinc/13/03/92/411130392.db2.gz NEKGNHLXZRQBHA-JTQLQIEISA-N 2 0 200.326 1.095 20 0 BDADRP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CCOCC1 ZINC000400923762 411163104 /nfs/dbraw/zinc/16/31/04/411163104.db2.gz GTGFGUZQMPMPEQ-MGPQQGTHSA-N 2 0 238.375 1.391 20 0 BDADRP CC(C)=CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400927321 411163470 /nfs/dbraw/zinc/16/34/70/411163470.db2.gz MQLAQJGMZGVPGZ-RWMBFGLXSA-N 2 0 208.349 1.930 20 0 BDADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CCO[C@@H]1C ZINC000651865709 411147609 /nfs/dbraw/zinc/14/76/09/411147609.db2.gz FMLKVAFEARLMQW-CHWSQXEVSA-N 2 0 228.380 1.731 20 0 BDADRP C[N@H+](C[C@H]1CCCOC1)[C@@H]1CCC[NH2+]CC1 ZINC000082666940 411152532 /nfs/dbraw/zinc/15/25/32/411152532.db2.gz WFWLODQYNNXXKN-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP Cc1ccc(CN[C@@H]2[C@@H](C)CC[NH2+][C@H]2C)cn1 ZINC000655940389 411160523 /nfs/dbraw/zinc/16/05/23/411160523.db2.gz ADXOLCQBVKAHGF-VHRBIJSZSA-N 2 0 233.359 1.866 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH2+]C1(C2CCC2)CC1 ZINC000653778939 411168307 /nfs/dbraw/zinc/16/83/07/411168307.db2.gz JPKUINXPBCWUKZ-GFCCVEGCSA-N 2 0 226.364 1.221 20 0 BDADRP CC/C=C\C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400998189 411168715 /nfs/dbraw/zinc/16/87/15/411168715.db2.gz AIFGLNSYUPTUFU-QBZPMXGOSA-N 2 0 208.349 1.930 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H](C)O ZINC000401010818 411171164 /nfs/dbraw/zinc/17/11/64/411171164.db2.gz RPSJRYGVYOGUSK-CLPYTZEMSA-N 2 0 226.364 1.124 20 0 BDADRP C[N@H+]1CC=C(C[NH2+]C2CC(CF)(CF)C2)CC1 ZINC000657939004 411174301 /nfs/dbraw/zinc/17/43/01/411174301.db2.gz SSUHPYOQQNKJLR-UHFFFAOYSA-N 2 0 244.329 1.926 20 0 BDADRP c1csc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000401060202 411175464 /nfs/dbraw/zinc/17/54/64/411175464.db2.gz JIFGBLWCECUOFH-HBNTYKKESA-N 2 0 237.372 1.621 20 0 BDADRP CCn1ccnc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401087344 411176438 /nfs/dbraw/zinc/17/64/38/411176438.db2.gz SBMAOSJQRSNPGX-FRRDWIJNSA-N 2 0 248.374 1.381 20 0 BDADRP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CCSC1 ZINC000401094125 411178090 /nfs/dbraw/zinc/17/80/90/411178090.db2.gz ZGBFVOLVJLMBAY-YVECIDJPSA-N 2 0 240.416 1.717 20 0 BDADRP CCOCC[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404309025 411183129 /nfs/dbraw/zinc/18/31/29/411183129.db2.gz JMNPKXJPFYBAKE-NWDGAFQWSA-N 2 0 214.353 1.472 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+][C@H](C)Cc1ccccn1 ZINC000656193273 411199340 /nfs/dbraw/zinc/19/93/40/411199340.db2.gz CWZVUXHOAOIETJ-OLZOCXBDSA-N 2 0 235.375 1.976 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000656193169 411199967 /nfs/dbraw/zinc/19/99/67/411199967.db2.gz WMLWPNDCSVZRLX-IWDIQUIJSA-N 2 0 211.353 1.116 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCC[C@@H]2O)C1 ZINC000656199052 411201977 /nfs/dbraw/zinc/20/19/77/411201977.db2.gz DHBJHRDCXHSDCT-LPWJVIDDSA-N 2 0 226.364 1.397 20 0 BDADRP Cc1nccnc1CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000656199078 411202291 /nfs/dbraw/zinc/20/22/91/411202291.db2.gz KFTLZHUVKYQGHY-NWDGAFQWSA-N 2 0 234.347 1.187 20 0 BDADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000656198348 411203064 /nfs/dbraw/zinc/20/30/64/411203064.db2.gz PPGYKLJLZHIAFR-FVCCEPFGSA-N 2 0 226.364 1.661 20 0 BDADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000656198347 411203071 /nfs/dbraw/zinc/20/30/71/411203071.db2.gz PPGYKLJLZHIAFR-FDYHWXHSSA-N 2 0 226.364 1.661 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCc2ccc(CO)cc2)C1 ZINC000656198082 411203156 /nfs/dbraw/zinc/20/31/56/411203156.db2.gz HHMMVJJYTWILRE-HUUCEWRRSA-N 2 0 248.370 1.581 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000656199747 411203956 /nfs/dbraw/zinc/20/39/56/411203956.db2.gz BXSTWBRZTVVREK-NDBYEHHHSA-N 3 0 225.380 1.186 20 0 BDADRP COCC1(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000656200296 411203993 /nfs/dbraw/zinc/20/39/93/411203993.db2.gz LBBKVJKNAUCPMO-QWRGUYRKSA-N 2 0 212.337 1.273 20 0 BDADRP Cc1cnc(CC[NH2+][C@H]2CCC[C@H]2[NH3+])c(C)c1 ZINC000656200261 411204108 /nfs/dbraw/zinc/20/41/08/411204108.db2.gz KOPKESFDXNYTBC-OCCSQVGLSA-N 2 0 233.359 1.710 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCC2CC[NH2+]CC2)C1 ZINC000656200356 411204589 /nfs/dbraw/zinc/20/45/89/411204589.db2.gz KEDJADBFEVIGRR-QWHCGFSZSA-N 3 0 225.380 1.236 20 0 BDADRP COCC1(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000656200294 411205138 /nfs/dbraw/zinc/20/51/38/411205138.db2.gz LBBKVJKNAUCPMO-GHMZBOCLSA-N 2 0 212.337 1.273 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC000656201095 411206268 /nfs/dbraw/zinc/20/62/68/411206268.db2.gz SFPJSNWBJDKPDU-RVMXOQNASA-N 3 0 225.380 1.044 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656201180 411206790 /nfs/dbraw/zinc/20/67/90/411206790.db2.gz ULMNJOLGQUHUPG-IGQOVBAYSA-N 2 0 239.407 1.304 20 0 BDADRP COC[C@@H](CC(C)(C)C)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000656202161 411206895 /nfs/dbraw/zinc/20/68/95/411206895.db2.gz ZEHQTELIFROALT-ZYHUDNBSSA-N 2 0 228.380 1.635 20 0 BDADRP FC1(F)CCC(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000656417019 411245906 /nfs/dbraw/zinc/24/59/06/411245906.db2.gz IVKQUVJJTSICOI-VXGBXAGGSA-N 2 0 244.329 1.963 20 0 BDADRP COC1CCC([NH2+]C[C@@H](C)C[NH+](C)C)CC1 ZINC000309756722 411222721 /nfs/dbraw/zinc/22/27/21/411222721.db2.gz LSMYBRDDSIUKDH-PNESKVBLSA-N 2 0 228.380 1.731 20 0 BDADRP COC1CC(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000658057871 411224319 /nfs/dbraw/zinc/22/43/19/411224319.db2.gz ZWUKZFRBWAVCSY-NELGMTEASA-N 2 0 240.391 1.874 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCOCC1CC1 ZINC000422884287 411233359 /nfs/dbraw/zinc/23/33/59/411233359.db2.gz DTLKUBSWKNDSAK-AAEUAGOBSA-N 2 0 226.364 1.391 20 0 BDADRP CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423173681 411236051 /nfs/dbraw/zinc/23/60/51/411236051.db2.gz ZRWBRBADOTYIKG-DBIOUOCHSA-N 2 0 200.326 1.269 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CCC[NH2+]1 ZINC000423173585 411236360 /nfs/dbraw/zinc/23/63/60/411236360.db2.gz ZGYOWLUECJAZIS-PPCPHDFISA-N 2 0 208.349 1.905 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CCC[NH2+]1 ZINC000423173584 411236718 /nfs/dbraw/zinc/23/67/18/411236718.db2.gz ZGYOWLUECJAZIS-OFTGVCEQSA-N 2 0 208.349 1.905 20 0 BDADRP CC1(C)C[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400955642 411166410 /nfs/dbraw/zinc/16/64/10/411166410.db2.gz YHXINBABMAHPJV-YFKTTZPYSA-N 2 0 208.349 1.763 20 0 BDADRP CC(C)(CCO)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400970968 411167221 /nfs/dbraw/zinc/16/72/21/411167221.db2.gz PDSQMUSCPGZNOX-FRRDWIJNSA-N 2 0 240.391 1.373 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400984864 411167385 /nfs/dbraw/zinc/16/73/85/411167385.db2.gz VXKDEGRWPBPFHH-HTOAHKCRSA-N 2 0 238.375 1.389 20 0 BDADRP CC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)COC1 ZINC000400980755 411167463 /nfs/dbraw/zinc/16/74/63/411167463.db2.gz VIDHYMQSVLXEES-IJLUTSLNSA-N 2 0 224.348 1.001 20 0 BDADRP CC(C)N(C)CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400975252 411167783 /nfs/dbraw/zinc/16/77/83/411167783.db2.gz OTPKFRYGTMKVDP-BFHYXJOUSA-N 2 0 239.407 1.304 20 0 BDADRP C[C@@H](CN[C@H]1CCCn2ccnc21)[N@H+](C)C1CC1 ZINC000655714378 411267634 /nfs/dbraw/zinc/26/76/34/411267634.db2.gz BUKOOBFPKAJOOJ-AAEUAGOBSA-N 2 0 248.374 1.790 20 0 BDADRP C(CC1CC[NH2+]CC1)C[NH+]1CCSCC1 ZINC000050952491 411269495 /nfs/dbraw/zinc/26/94/95/411269495.db2.gz NHOPMJUVHBWBEN-UHFFFAOYSA-N 2 0 228.405 1.815 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H](C)C2(CO)CC2)CC1 ZINC000658159428 411272123 /nfs/dbraw/zinc/27/21/23/411272123.db2.gz JTNYSCIYBKOPTD-LBPRGKRZSA-N 2 0 240.391 1.611 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)C1 ZINC000658161072 411273834 /nfs/dbraw/zinc/27/38/34/411273834.db2.gz JAHBVNPYXCGZLS-AAVRWANBSA-N 2 0 240.391 1.874 20 0 BDADRP CC(C)(C)[C@@H]([NH3+])c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000656466724 411279703 /nfs/dbraw/zinc/27/97/03/411279703.db2.gz HHYCOTMEKSVXTH-ONGXEEELSA-N 2 0 237.351 1.249 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)C1 ZINC000643509383 411279876 /nfs/dbraw/zinc/27/98/76/411279876.db2.gz KUGIHFYUYCTGGE-JHJVBQTASA-N 2 0 226.364 1.533 20 0 BDADRP C[NH+](C)C1(CNC(=O)CCCC[NH3+])CCCC1 ZINC000132397664 411328439 /nfs/dbraw/zinc/32/84/39/411328439.db2.gz ABNXOXNFAZBAOM-UHFFFAOYSA-N 2 0 241.379 1.106 20 0 BDADRP CCC(CC)[N@H+](CCOC)C[C@@H]1CC[NH2+]C1 ZINC000051889829 411284724 /nfs/dbraw/zinc/28/47/24/411284724.db2.gz GJFUWDRHWYGBOE-GFCCVEGCSA-N 2 0 228.380 1.733 20 0 BDADRP CC[C@@H](O)C[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000658190288 411285808 /nfs/dbraw/zinc/28/58/08/411285808.db2.gz QAKLUXQLXGHQIE-IJLUTSLNSA-N 2 0 214.353 1.077 20 0 BDADRP COCC[C@H](C)[NH2+]C[C@@H]1CCN1C(C)(C)C ZINC000656677005 411322925 /nfs/dbraw/zinc/32/29/25/411322925.db2.gz RUTXOVWXMLROSN-RYUDHWBXSA-N 2 0 228.380 1.874 20 0 BDADRP C[C@@H]([NH3+])[C@@H](C)NCc1ccc2c(c1)C[NH2+]CC2 ZINC000656784547 411361584 /nfs/dbraw/zinc/36/15/84/411361584.db2.gz BWSFUAIDBPKOCJ-GHMZBOCLSA-N 2 0 233.359 1.158 20 0 BDADRP Nc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000656786049 411364723 /nfs/dbraw/zinc/36/47/23/411364723.db2.gz UKHJYKYCDZUVKX-UMVBOHGHSA-N 2 0 245.370 1.747 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN(C)CC(C)(C)[NH3+] ZINC000656785850 411365103 /nfs/dbraw/zinc/36/51/03/411365103.db2.gz RPXNQDDSWVIXKD-SNVBAGLBSA-N 2 0 201.358 1.029 20 0 BDADRP CC[C@@H]([NH3+])CNCc1ccc2c(c1)C[NH2+]CC2 ZINC000656787039 411366235 /nfs/dbraw/zinc/36/62/35/411366235.db2.gz RUKJVHNPLRCKEM-CQSZACIVSA-N 2 0 233.359 1.159 20 0 BDADRP Nc1cccc(C[NH2+]CC2CC[NH2+]CC2)c1 ZINC000656787923 411366912 /nfs/dbraw/zinc/36/69/12/411366912.db2.gz ZGUZNCXJHLUFHL-UHFFFAOYSA-N 2 0 219.332 1.358 20 0 BDADRP COC[C@H](CC(C)C)[NH2+]CC1([NH3+])CCCC1 ZINC000656789073 411369128 /nfs/dbraw/zinc/36/91/28/411369128.db2.gz IEZYECJBAYFZHZ-LBPRGKRZSA-N 2 0 228.380 1.909 20 0 BDADRP [NH3+]C1(C[NH2+]C2CCSCC2)CCCC1 ZINC000656789289 411369434 /nfs/dbraw/zinc/36/94/34/411369434.db2.gz LQVBLPMXOOXFRO-UHFFFAOYSA-N 2 0 214.378 1.743 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)NCC1([NH3+])CCCC1 ZINC000656789639 411369539 /nfs/dbraw/zinc/36/95/39/411369539.db2.gz UBTVWIRERPZRAF-VXGBXAGGSA-N 2 0 225.380 1.378 20 0 BDADRP Nc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000656791669 411370700 /nfs/dbraw/zinc/37/07/00/411370700.db2.gz KTHHXEPYPUXEMD-UKRRQHHQSA-N 2 0 245.370 1.988 20 0 BDADRP [NH3+]CCCNc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000656792400 411371549 /nfs/dbraw/zinc/37/15/49/411371549.db2.gz LKMCXROMZFOQEV-ZDUSSCGKSA-N 2 0 235.331 1.108 20 0 BDADRP CC1(C[NH2+]CC2CC[NH+](C3CC3)CC2)COC1 ZINC000352709191 168041598 /nfs/dbraw/zinc/04/15/98/168041598.db2.gz ZVZINJLSEQMGDA-UHFFFAOYSA-N 2 0 238.375 1.487 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CC1(CO)CCCCC1 ZINC000125483519 411376332 /nfs/dbraw/zinc/37/63/32/411376332.db2.gz ZMTOCHQXWOPZSZ-CHWSQXEVSA-N 2 0 240.391 1.646 20 0 BDADRP CC1CC[NH+](CCN2CC[N@H+](C)C[C@H]2C)CC1 ZINC000336544614 168178653 /nfs/dbraw/zinc/17/86/53/168178653.db2.gz AVVLIFAJMNMCTK-CQSZACIVSA-N 2 0 239.407 1.354 20 0 BDADRP COCCC[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404313862 411390654 /nfs/dbraw/zinc/39/06/54/411390654.db2.gz MYRDUWOPQHKILM-NEPJUHHUSA-N 2 0 214.353 1.472 20 0 BDADRP COCCC[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404313863 411391104 /nfs/dbraw/zinc/39/11/04/411391104.db2.gz MYRDUWOPQHKILM-NWDGAFQWSA-N 2 0 214.353 1.472 20 0 BDADRP C[C@@H]1CCC[N@H+](CCn2cccn2)[C@@H]1CC[NH3+] ZINC000404384471 411392520 /nfs/dbraw/zinc/39/25/20/411392520.db2.gz NQLORVYCEKHICK-CHWSQXEVSA-N 2 0 236.363 1.332 20 0 BDADRP CC(C)O[C@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000404507345 411399207 /nfs/dbraw/zinc/39/92/07/411399207.db2.gz BOZBHRMZLISWGR-KGLIPLIRSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)O[C@@H]1CCC[N@H+](CCC[NH3+])C1 ZINC000404800223 411408310 /nfs/dbraw/zinc/40/83/10/411408310.db2.gz YFSMGZYALPRFIC-LLVKDONJSA-N 2 0 200.326 1.225 20 0 BDADRP C([C@H]1CC[NH2+]C1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000382657607 411409451 /nfs/dbraw/zinc/40/94/51/411409451.db2.gz SFCVYWOVXOZQSJ-KBPBESRZSA-N 2 0 237.391 1.156 20 0 BDADRP CCCCOCC[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405210153 411420499 /nfs/dbraw/zinc/42/04/99/411420499.db2.gz KUOAJCKQSUGXCO-CHWSQXEVSA-N 2 0 244.379 1.099 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH2+]C(C(C)C)C(C)C ZINC000653608941 411432960 /nfs/dbraw/zinc/43/29/60/411432960.db2.gz OZRLSHGUMPYNAJ-GFCCVEGCSA-N 2 0 230.396 1.569 20 0 BDADRP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000414707571 411441019 /nfs/dbraw/zinc/44/10/19/411441019.db2.gz IAVBJZRVQBKPPF-UTUOFQBUSA-N 2 0 214.353 1.063 20 0 BDADRP CC[C@H]1C[C@H]([NH2+]CCC[NH+](CC)CC)CO1 ZINC000657285274 411444358 /nfs/dbraw/zinc/44/43/58/411444358.db2.gz AUWVIRJBRMBBOI-STQMWFEESA-N 2 0 228.380 1.875 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000414765633 411445122 /nfs/dbraw/zinc/44/51/22/411445122.db2.gz PWRCUYRKDUWJBP-OLZOCXBDSA-N 2 0 225.380 1.045 20 0 BDADRP C[C@@H]1CN(CC[NH2+]C(C)(C)C)[C@H](C)C[NH2+]1 ZINC000414768409 411445304 /nfs/dbraw/zinc/44/53/04/411445304.db2.gz VAHMPBYQQHZNPN-GHMZBOCLSA-N 2 0 213.369 1.057 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+](CC)C2)CO1 ZINC000657337181 411472096 /nfs/dbraw/zinc/47/20/96/411472096.db2.gz LKPCZMHTFPYVSJ-MGPQQGTHSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1ncc(C[NH2+]Cc2cnc3n2CCC3)s1 ZINC000657347672 411474727 /nfs/dbraw/zinc/47/47/27/411474727.db2.gz DVGBBRAXKNCTNR-UHFFFAOYSA-N 2 0 248.355 1.884 20 0 BDADRP C(CC1CCC1)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000659850490 411475625 /nfs/dbraw/zinc/47/56/25/411475625.db2.gz QSBKQFUPCICRCJ-CHWSQXEVSA-N 2 0 208.349 1.718 20 0 BDADRP CC[NH+]1CCC(N(C)CC(C)(C)[NH3+])CC1 ZINC000042689526 169952179 /nfs/dbraw/zinc/95/21/79/169952179.db2.gz YQAVOVBPPJWALL-UHFFFAOYSA-N 2 0 213.369 1.140 20 0 BDADRP C[N@H+]1C[C@@H]2C[NH+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)C[C@@H]2C1 ZINC000660437612 411502928 /nfs/dbraw/zinc/50/29/28/411502928.db2.gz PTTXNTNVKJPRFX-QMIVOQANSA-N 2 0 234.387 1.916 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)CO1 ZINC000657430836 411508150 /nfs/dbraw/zinc/50/81/50/411508150.db2.gz TVIVKPFUXFTBMS-CHWSQXEVSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccn(C)n1 ZINC000655803887 411518678 /nfs/dbraw/zinc/51/86/78/411518678.db2.gz GYYYSVGOHXGBQM-UTUOFQBUSA-N 2 0 236.363 1.411 20 0 BDADRP COCC[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805739 411520228 /nfs/dbraw/zinc/52/02/28/411520228.db2.gz KSNBJAUVRPLKDM-SDDRHHMPSA-N 2 0 214.353 1.341 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2CCSCC2)C1 ZINC000655806235 411520556 /nfs/dbraw/zinc/52/05/56/411520556.db2.gz RYWRCRZVIRVYKI-KLPPZKSPSA-N 2 0 228.405 1.812 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@@H]2CCSC2)C1 ZINC000655824332 411526593 /nfs/dbraw/zinc/52/65/93/411526593.db2.gz JMNGAIVOWKYRAP-SDDRHHMPSA-N 2 0 228.405 1.669 20 0 BDADRP CCn1cncc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655824113 411526597 /nfs/dbraw/zinc/52/65/97/411526597.db2.gz FMOLNJZIUSXJDM-TXEJJXNPSA-N 2 0 236.363 1.333 20 0 BDADRP Cc1cnccc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655823920 411526774 /nfs/dbraw/zinc/52/67/74/411526774.db2.gz CMFPCAZORYJQHF-XBXGTLAGSA-N 2 0 233.359 1.820 20 0 BDADRP Cc1cnc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)s1 ZINC000655824867 411527214 /nfs/dbraw/zinc/52/72/14/411527214.db2.gz QAGSSZNVSYRILT-PHIMTYICSA-N 2 0 239.388 1.881 20 0 BDADRP COCC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000655817697 411528407 /nfs/dbraw/zinc/52/84/07/411528407.db2.gz ODAFBAYGPCGBAQ-CHWSQXEVSA-N 2 0 238.375 1.629 20 0 BDADRP Cc1nc(C[NH2+][C@@H]2CCCN(C)C2)[nH]c1C ZINC000657324615 411464734 /nfs/dbraw/zinc/46/47/34/411464734.db2.gz FJTHVAVMOKVOLO-LLVKDONJSA-N 2 0 222.336 1.210 20 0 BDADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C[NH+]1CCCC1 ZINC000657325695 411465327 /nfs/dbraw/zinc/46/53/27/411465327.db2.gz JKYXLPVKSKUELS-YIYPIFLZSA-N 2 0 238.375 1.221 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cn[nH]c2)[C@H](C)C1 ZINC000353623253 170013087 /nfs/dbraw/zinc/01/30/87/170013087.db2.gz BAAKEGWFPHYEMX-DGCLKSJQSA-N 2 0 236.363 1.272 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)CC[C@H](C)O)[C@H](C)C1 ZINC000336660718 170019192 /nfs/dbraw/zinc/01/91/92/170019192.db2.gz BCFLPVYLMXLEKT-AGIUHOORSA-N 2 0 228.380 1.419 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)CC2(C)COC2)C[C@@H]1C ZINC000336713686 170019405 /nfs/dbraw/zinc/01/94/05/170019405.db2.gz STKFNAXWAJJEOL-STQMWFEESA-N 2 0 240.391 1.828 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](C)O)[C@@H](C)C1 ZINC000336693995 170019630 /nfs/dbraw/zinc/01/96/30/170019630.db2.gz SYKDGORQPBJIEC-TUAOUCFPSA-N 2 0 214.353 1.029 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C2CCOCC2)[C@H](C)C1 ZINC000119011106 170020138 /nfs/dbraw/zinc/02/01/38/170020138.db2.gz KCKGXXFGOCIMOI-YPMHNXCESA-N 2 0 226.364 1.485 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)C2CC2)[C@@H](C)C1 ZINC000353517829 170020458 /nfs/dbraw/zinc/02/04/58/170020458.db2.gz ZELYBVZGALCHAD-YUTCNCBUSA-N 2 0 240.391 1.325 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2[C@H]3COC[C@H]32)[C@H](C)C1 ZINC000367708931 170020979 /nfs/dbraw/zinc/02/09/79/170020979.db2.gz QTAFCPINXOAFFO-POQQGIQPSA-N 2 0 238.375 1.199 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CCC[C@H](C)O)[C@H](C)C1 ZINC000309461595 170021604 /nfs/dbraw/zinc/02/16/04/170021604.db2.gz OBGCCFWPMVCBEQ-AGIUHOORSA-N 2 0 228.380 1.467 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cnn3c2CCC3)C1 ZINC000657504164 411539063 /nfs/dbraw/zinc/53/90/63/411539063.db2.gz DJRLRJDDHSAQHY-BJHJDKERSA-N 2 0 248.374 1.259 20 0 BDADRP CC[N@H+]1C[C@H](N[C@H](C)CC[NH+](C)C)[C@@H](C)C1 ZINC000309958786 170036914 /nfs/dbraw/zinc/03/69/14/170036914.db2.gz JYJUHKZTQMTMRO-XQQFMLRXSA-N 2 0 227.396 1.256 20 0 BDADRP CC[NH2+]CC1CC[NH+](CCc2cccnc2)CC1 ZINC000104429560 170111784 /nfs/dbraw/zinc/11/17/84/170111784.db2.gz UCZSKSPRTFEAFA-UHFFFAOYSA-N 2 0 247.386 1.946 20 0 BDADRP CCOC(=O)C1CCC([NH2+]C[C@H](C)C[NH3+])CC1 ZINC000336708345 170192052 /nfs/dbraw/zinc/19/20/52/170192052.db2.gz MFMHNHOKRRTPKB-VOMCLLRMSA-N 2 0 242.363 1.293 20 0 BDADRP CCOC(=O)C1CCC([NH2+]C[C@@H](C)C[NH3+])CC1 ZINC000336708342 170192175 /nfs/dbraw/zinc/19/21/75/170192175.db2.gz MFMHNHOKRRTPKB-UNXYVOJBSA-N 2 0 242.363 1.293 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@H](C)C1 ZINC000660310609 411567404 /nfs/dbraw/zinc/56/74/04/411567404.db2.gz OUGNRKKVIPUIBY-KBPBESRZSA-N 2 0 242.407 1.810 20 0 BDADRP CCOC(=O)[C@H](CC)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000227082883 170272114 /nfs/dbraw/zinc/27/21/14/170272114.db2.gz BITQYMXXLXTMAY-RYUDHWBXSA-N 2 0 242.363 1.389 20 0 BDADRP CCOCCC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000019962801 170380183 /nfs/dbraw/zinc/38/01/83/170380183.db2.gz RXRPOCSEKIVZIX-UHFFFAOYSA-N 2 0 228.380 1.875 20 0 BDADRP CCOCC[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000250408631 170398600 /nfs/dbraw/zinc/39/86/00/170398600.db2.gz UQTCOSXEPWFCFC-WDEREUQCSA-N 2 0 200.326 1.082 20 0 BDADRP CCOCC[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070074198 170398938 /nfs/dbraw/zinc/39/89/38/170398938.db2.gz XNPISIBAUQCODX-NSHDSACASA-N 2 0 200.326 1.084 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC(C)(C)C[C@@H]1C ZINC000660806024 411640027 /nfs/dbraw/zinc/64/00/27/411640027.db2.gz QUYNLMXMDKJSNY-STQMWFEESA-N 2 0 242.407 1.808 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+](CC3CC=CC3)C2)C1 ZINC000660616506 411607874 /nfs/dbraw/zinc/60/78/74/411607874.db2.gz MBHSSUBLZPBLLQ-CQSZACIVSA-N 2 0 220.360 1.980 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000657842008 411610049 /nfs/dbraw/zinc/61/00/49/411610049.db2.gz SHWPLYKPDVQJAR-CHWSQXEVSA-N 2 0 238.375 1.629 20 0 BDADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCn1ccnc1)C2 ZINC000660656863 411613964 /nfs/dbraw/zinc/61/39/64/411613964.db2.gz AHBDQCLMFNJUNH-CQSZACIVSA-N 2 0 248.374 1.301 20 0 BDADRP CCCC[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660693148 411617640 /nfs/dbraw/zinc/61/76/40/411617640.db2.gz BLJNXDVKZCZTCM-UHFFFAOYSA-N 2 0 242.407 1.859 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CCOCCF)[C@@H]2CCC[C@H]21 ZINC000663459427 411662283 /nfs/dbraw/zinc/66/22/83/411662283.db2.gz CEJQNCUAHUTXNH-RWMBFGLXSA-N 2 0 244.354 1.435 20 0 BDADRP C([NH2+]C1CCSCC1)C12CC(C1)C[NH2+]2 ZINC000663497057 411678844 /nfs/dbraw/zinc/67/88/44/411678844.db2.gz AOMGWUXLIUHXDU-UHFFFAOYSA-N 2 0 212.362 1.224 20 0 BDADRP Cc1nn(C)c(C)c1C[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000663498962 411680865 /nfs/dbraw/zinc/68/08/65/411680865.db2.gz WHNIMCQKLODCFY-CYBMUJFWSA-N 2 0 238.379 1.500 20 0 BDADRP CC[N@@H+]1CC[C@H](NCC[C@@H]([NH3+])C(C)C)[C@H](C)C1 ZINC000663504148 411687788 /nfs/dbraw/zinc/68/77/88/411687788.db2.gz WVIGLINYJYFUHP-MCIONIFRSA-N 2 0 241.423 1.680 20 0 BDADRP C[NH2+]C[C@@H](C)NC1CC[NH+](C(C)C)CC1 ZINC000663509211 411692705 /nfs/dbraw/zinc/69/27/05/411692705.db2.gz IJFUIKXAVHUQJW-LLVKDONJSA-N 2 0 213.369 1.057 20 0 BDADRP CC(C)([NH3+])C[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000663513429 411694604 /nfs/dbraw/zinc/69/46/04/411694604.db2.gz KATJGKWADWNVSH-OKILXGFUSA-N 2 0 238.375 1.616 20 0 BDADRP C[NH2+]C[C@H](C)N[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000663514214 411695450 /nfs/dbraw/zinc/69/54/50/411695450.db2.gz PAWGOIUTCXHKPH-AVGNSLFASA-N 2 0 227.396 1.495 20 0 BDADRP COCC1([N@H+](C)CC2CC[NH2+]CC2)CC1 ZINC000662217770 412028923 /nfs/dbraw/zinc/02/89/23/412028923.db2.gz SWALRKQTCXLBHR-UHFFFAOYSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CC[C@@H]1[NH3+] ZINC000662242934 412037440 /nfs/dbraw/zinc/03/74/40/412037440.db2.gz FOIITAUPCVRVFJ-LBELIVKGSA-N 2 0 208.349 1.702 20 0 BDADRP C[NH2+]CC1CC[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000662245508 412040849 /nfs/dbraw/zinc/04/08/49/412040849.db2.gz KHJUWIWZLWLNGH-BTTYYORXSA-N 2 0 222.376 1.964 20 0 BDADRP CO[C@@H](C[NH2+][C@@](C)(C[NH3+])C(C)C)C1CCC1 ZINC000662250144 412045800 /nfs/dbraw/zinc/04/58/00/412045800.db2.gz YZZMLUBJQIQLIG-STQMWFEESA-N 2 0 228.380 1.765 20 0 BDADRP C[C@H]1CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662248870 412047470 /nfs/dbraw/zinc/04/74/70/412047470.db2.gz DHTKSBWJVXGOJL-RYUDHWBXSA-N 2 0 224.348 1.239 20 0 BDADRP C[C@@H]1CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662248871 412047691 /nfs/dbraw/zinc/04/76/91/412047691.db2.gz DHTKSBWJVXGOJL-VXGBXAGGSA-N 2 0 224.348 1.239 20 0 BDADRP CC1(C)CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662252122 412048969 /nfs/dbraw/zinc/04/89/69/412048969.db2.gz JYQRNTLEFCSDEU-LBPRGKRZSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@@H]([N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1)C(C)(C)C ZINC000662253132 412049000 /nfs/dbraw/zinc/04/90/00/412049000.db2.gz WLSDUSCUYILEOF-NEPJUHHUSA-N 2 0 240.391 1.874 20 0 BDADRP CC(C)[C@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250767 412049064 /nfs/dbraw/zinc/04/90/64/412049064.db2.gz NOXIQUQKTABHQS-CHWSQXEVSA-N 2 0 238.375 1.628 20 0 BDADRP CCC[C@H](C)[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252093 412049574 /nfs/dbraw/zinc/04/95/74/412049574.db2.gz JTJNUTCGQPFBRA-NWDGAFQWSA-N 2 0 226.364 1.628 20 0 BDADRP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ncn1 ZINC000662265700 412058540 /nfs/dbraw/zinc/05/85/40/412058540.db2.gz HZJWAGGTXXVQFN-FPMFFAJLSA-N 2 0 246.358 1.344 20 0 BDADRP CC[C@@H]1CC[C@@H](C)[N@@H+]1CCOCC[NH3+] ZINC000136250664 171037499 /nfs/dbraw/zinc/03/74/99/171037499.db2.gz NCTYCWHIQAYBIX-GHMZBOCLSA-N 2 0 200.326 1.225 20 0 BDADRP Cc1nc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)co1 ZINC000662273488 412065931 /nfs/dbraw/zinc/06/59/31/412065931.db2.gz NMAXUPLLENRMFJ-QWHCGFSZSA-N 2 0 249.358 1.805 20 0 BDADRP CC[C@H](C(=O)NCCC[N@H+](C)C(C)C)[NH+](C)C ZINC000338209147 171228330 /nfs/dbraw/zinc/22/83/30/171228330.db2.gz ZYFABLHBOXAQHC-GFCCVEGCSA-N 2 0 243.395 1.173 20 0 BDADRP COCC1([N@H+](C)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000662298548 412083275 /nfs/dbraw/zinc/08/32/75/412083275.db2.gz NIMILBZTBPNCKI-GFCCVEGCSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H]([NH3+])CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662292073 412080233 /nfs/dbraw/zinc/08/02/33/412080233.db2.gz LVJDLYHWRTXIBA-YPMHNXCESA-N 2 0 225.380 1.045 20 0 BDADRP COCCC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662293478 412080901 /nfs/dbraw/zinc/08/09/01/412080901.db2.gz LLXMSUNEWUPJRD-AWEZNQCLSA-N 2 0 240.391 1.735 20 0 BDADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000226397200 171395379 /nfs/dbraw/zinc/39/53/79/171395379.db2.gz CRJKPTLMDMLVAO-SRVKXCTJSA-N 2 0 243.395 1.206 20 0 BDADRP C[C@@H]([NH3+])CN1C[C@H]([NH3+])CCc2ccccc21 ZINC000662302808 412088691 /nfs/dbraw/zinc/08/86/91/412088691.db2.gz PESSPCULUHNXDN-ZYHUDNBSSA-N 2 0 219.332 1.114 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000662313404 412094867 /nfs/dbraw/zinc/09/48/67/412094867.db2.gz KYTCOFARVUOJJC-RDBSUJKOSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@]12COC[C@H]1C[N@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000662311034 412094929 /nfs/dbraw/zinc/09/49/29/412094929.db2.gz PUNVSDUCEZDBPC-MCIONIFRSA-N 2 0 238.375 1.344 20 0 BDADRP C(C[N@@H+]1CC[C@H]2C[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000662316030 412095616 /nfs/dbraw/zinc/09/56/16/412095616.db2.gz VOKAIXKIUSWQCU-AVGNSLFASA-N 2 0 208.349 1.718 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000662314499 412095663 /nfs/dbraw/zinc/09/56/63/412095663.db2.gz PWCDAWHWEUMHFQ-FRRDWIJNSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]([NH3+])CN1CC[C@H](N(C)c2ccccc2)C1 ZINC000662314711 412096140 /nfs/dbraw/zinc/09/61/40/412096140.db2.gz BDBUZUOIJRLYOY-OCCSQVGLSA-N 2 0 233.359 1.544 20 0 BDADRP C[N@H+](CCOCC[NH3+])C[C@H]1CCc2ccccc21 ZINC000662321097 412101377 /nfs/dbraw/zinc/10/13/77/412101377.db2.gz GXOFSAOZBPDVKZ-CQSZACIVSA-N 2 0 248.370 1.624 20 0 BDADRP C[C@@H]([NH3+])C[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662327966 412102182 /nfs/dbraw/zinc/10/21/82/412102182.db2.gz WVMZNPUEXGNNHV-UPJWGTAASA-N 2 0 224.348 1.226 20 0 BDADRP C[NH+](C)CCC[C@H]1C[N@@H+](C2CCCC2)CCO1 ZINC000662324676 412102593 /nfs/dbraw/zinc/10/25/93/412102593.db2.gz ALTHIXXVGOSCDV-AWEZNQCLSA-N 2 0 240.391 1.972 20 0 BDADRP C[C@]1(C(F)F)C[N@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000662336488 412106802 /nfs/dbraw/zinc/10/68/02/412106802.db2.gz YBTBAVBPECEQPT-CMPLNLGQSA-N 2 0 248.317 1.342 20 0 BDADRP CC1(C)CC[NH2+][C@H]1C(=O)Nc1cccc(C[NH3+])c1 ZINC000662392278 412143527 /nfs/dbraw/zinc/14/35/27/412143527.db2.gz HIQAPWSHQRXMAQ-LBPRGKRZSA-N 2 0 247.342 1.472 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCO[C@@H]2CC2(F)F)C1 ZINC000665244701 412188767 /nfs/dbraw/zinc/18/87/67/412188767.db2.gz TYCPBXLXOWCWLH-KXUCPTDWSA-N 2 0 234.290 1.270 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1NCC1([NH3+])CCCC1 ZINC000665247029 412190947 /nfs/dbraw/zinc/19/09/47/412190947.db2.gz UGXFBWZMQIPCAI-NWDGAFQWSA-N 2 0 225.380 1.236 20 0 BDADRP C[C@H]([NH2+]CC1([NH3+])CCCC1)[C@H]1CCCO1 ZINC000665247978 412192810 /nfs/dbraw/zinc/19/28/10/412192810.db2.gz MXPNGGBNYFCZFZ-WDEREUQCSA-N 2 0 212.337 1.415 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@H](CC)[C@@H]2CCC[NH2+]2)C1 ZINC000665273864 412215002 /nfs/dbraw/zinc/21/50/02/412215002.db2.gz FVMIYVUEDBIGAR-MJBXVCDLSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H]([NH2+]CC1([NH3+])CCCC1)C1CC[NH+](C)CC1 ZINC000665249102 412195050 /nfs/dbraw/zinc/19/50/50/412195050.db2.gz JWAIRDVBKMDEHA-GFCCVEGCSA-N 3 0 239.407 1.578 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@]1(C)CC1(F)F ZINC000665267572 412204174 /nfs/dbraw/zinc/20/41/74/412204174.db2.gz YSNYILBINLNILL-YIZRAAEISA-N 2 0 206.280 1.747 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCc1ccoc1 ZINC000665261380 412204805 /nfs/dbraw/zinc/20/48/05/412204805.db2.gz ASVXWCXCTPBJKY-LLVKDONJSA-N 2 0 210.321 1.929 20 0 BDADRP c1cc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)co1 ZINC000665262891 412205356 /nfs/dbraw/zinc/20/53/56/412205356.db2.gz BFHNADMVZJHMBX-BFHYXJOUSA-N 2 0 234.343 1.800 20 0 BDADRP C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H]2[NH3+])O1 ZINC000665264983 412207047 /nfs/dbraw/zinc/20/70/47/412207047.db2.gz NHMFRTXCAOGWBH-WYUUTHIRSA-N 2 0 212.337 1.413 20 0 BDADRP Cn1ncc(C2CC2)c1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000665264962 412207319 /nfs/dbraw/zinc/20/73/19/412207319.db2.gz MYNQMNIMBVLDMP-AAEUAGOBSA-N 2 0 248.374 1.515 20 0 BDADRP C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H]2C[NH3+])O1 ZINC000665265113 412208963 /nfs/dbraw/zinc/20/89/63/412208963.db2.gz PQJSCCIVXHPZQT-LPWJVIDDSA-N 2 0 226.364 1.661 20 0 BDADRP CCC[NH2+]CCNC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000662550439 412212232 /nfs/dbraw/zinc/21/22/32/412212232.db2.gz DLDCFUOTNIIDQJ-LBPRGKRZSA-N 2 0 243.395 1.113 20 0 BDADRP CC[C@H]([NH2+]C)C(=O)NCC1([NH3+])CCCCCC1 ZINC000662397490 412147139 /nfs/dbraw/zinc/14/71/39/412147139.db2.gz FTQQHGMENNEISE-NSHDSACASA-N 2 0 241.379 1.152 20 0 BDADRP COC[C@@H]([NH2+]CC[C@@H]([NH3+])C(C)C)C(C)C ZINC000665281310 412213533 /nfs/dbraw/zinc/21/35/33/412213533.db2.gz ZKVXIIZHVAISIU-VXGBXAGGSA-N 2 0 216.369 1.620 20 0 BDADRP Nc1cccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000665232046 412170067 /nfs/dbraw/zinc/17/00/67/412170067.db2.gz FBZLAXXAPZJBCR-GXTWGEPZSA-N 2 0 233.359 1.876 20 0 BDADRP CC[C@@H]([NH2+]CC[C@@H](COC)OC)[C@@H]1CCC[NH2+]1 ZINC000665234328 412172664 /nfs/dbraw/zinc/17/26/64/412172664.db2.gz BACSJDIDQZCQCS-XQQFMLRXSA-N 2 0 244.379 1.158 20 0 BDADRP C[C@H]1C[C@H]([NH2+]Cc2cccc(N)c2)CC[N@@H+]1C ZINC000665233866 412172878 /nfs/dbraw/zinc/17/28/78/412172878.db2.gz RKGYZYAHWBGLLO-SMDDNHRTSA-N 2 0 233.359 1.841 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H](CO)C2CCC2)c2ccccc21 ZINC000665234289 412173648 /nfs/dbraw/zinc/17/36/48/412173648.db2.gz AIPCIEXWFRWGPN-KFWWJZLASA-N 2 0 246.354 1.882 20 0 BDADRP CC[C@H]([NH2+]C)C(=O)NCCCC[NH+](CC)CC ZINC000662681698 412269178 /nfs/dbraw/zinc/26/91/78/412269178.db2.gz BOGFRMPPMMDGTF-LBPRGKRZSA-N 2 0 243.395 1.223 20 0 BDADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000662730707 412282071 /nfs/dbraw/zinc/28/20/71/412282071.db2.gz NCNYYFDMJBRDOP-UTUOFQBUSA-N 2 0 243.395 1.095 20 0 BDADRP Cc1cncc(CC[NH2+]C2CCC(C[NH3+])CC2)n1 ZINC000665274402 412216948 /nfs/dbraw/zinc/21/69/48/412216948.db2.gz PJRGZIZYYQFLHC-UHFFFAOYSA-N 2 0 248.374 1.435 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@]1(C)CC1(C)C ZINC000665275257 412219553 /nfs/dbraw/zinc/21/95/53/412219553.db2.gz GGIRPLVGMCCGAS-ZYHUDNBSSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)[C@H]1CCCOC1 ZINC000665279049 412223065 /nfs/dbraw/zinc/22/30/65/412223065.db2.gz VSOLYPMAGROIAD-QCXCNERSSA-N 2 0 224.348 1.143 20 0 BDADRP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)[C@@H]1CC1(C)C ZINC000665279924 412224236 /nfs/dbraw/zinc/22/42/36/412224236.db2.gz PKVFFKIQCAIJKH-URAGZPLESA-N 2 0 208.349 1.763 20 0 BDADRP COCCC[C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000665280855 412224677 /nfs/dbraw/zinc/22/46/77/412224677.db2.gz NCQUTENIUKVBRK-NWDGAFQWSA-N 2 0 216.369 1.765 20 0 BDADRP C[C@]12C[C@H]1CCC[C@H]2[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665280083 412224770 /nfs/dbraw/zinc/22/47/70/412224770.db2.gz SMCFGUHXXNQVJM-PXELTDHWSA-N 2 0 220.360 1.907 20 0 BDADRP CC[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)C(C)C ZINC000665289786 412235301 /nfs/dbraw/zinc/23/53/01/412235301.db2.gz XEMINVYNQRHVDL-SNVBAGLBSA-N 2 0 238.335 1.165 20 0 BDADRP CC[C@@H](C)[C@@H](C)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665289380 412235570 /nfs/dbraw/zinc/23/55/70/412235570.db2.gz MRDNGXJJGBKAKN-RKDXNWHRSA-N 2 0 238.335 1.165 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)[C@H]2C[C@H]([NH3+])C2)c1 ZINC000662820234 412311152 /nfs/dbraw/zinc/31/11/52/412311152.db2.gz RNUZEACKQVYZAW-XYPYZODXSA-N 2 0 233.315 1.130 20 0 BDADRP C[C@@H]1CCCN(C(=O)CCC[NH3+])[C@@H]1CCC[NH3+] ZINC000662891001 412337379 /nfs/dbraw/zinc/33/73/79/412337379.db2.gz TXSUSCJEMGHZHL-VXGBXAGGSA-N 2 0 241.379 1.091 20 0 BDADRP CC(C)[C@H]([NH3+])CCNC(=O)C1([NH3+])CCCCC1 ZINC000662925175 412346809 /nfs/dbraw/zinc/34/68/09/412346809.db2.gz OKVCMVQGJMDPLW-LLVKDONJSA-N 2 0 241.379 1.138 20 0 BDADRP C[NH2+]C[C@H](C)NC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000662954276 412353642 /nfs/dbraw/zinc/35/36/42/412353642.db2.gz UHJNHNDLHHMZOR-LOWVWBTDSA-N 2 0 249.358 1.047 20 0 BDADRP C[NH2+]C[C@H](C)NC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000662966832 412358620 /nfs/dbraw/zinc/35/86/20/412358620.db2.gz CMQCTWVRVYPOOQ-VHSXEESVSA-N 2 0 235.331 1.044 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(CO)cc2)C1 ZINC000133060759 412393041 /nfs/dbraw/zinc/39/30/41/412393041.db2.gz HHOFNVDEZHJKOO-OAHLLOKOSA-N 2 0 248.370 1.610 20 0 BDADRP CC(C)C[C@@H]([NH3+])c1noc([C@H]2C[C@H]([NH3+])C2)n1 ZINC000663250169 412401475 /nfs/dbraw/zinc/40/14/75/412401475.db2.gz CTXFHSKIFJKEHL-IWSPIJDZSA-N 2 0 224.308 1.320 20 0 BDADRP CCc1nccn1Cc1cnccc1OC ZINC000286505865 172026781 /nfs/dbraw/zinc/02/67/81/172026781.db2.gz MHOYQALRFQSYAS-UHFFFAOYSA-N 2 0 217.272 1.897 20 0 BDADRP CCc1nocc1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339191059 172101959 /nfs/dbraw/zinc/10/19/59/172101959.db2.gz RIINWTKHBKJBMJ-OLZOCXBDSA-N 2 0 249.358 1.953 20 0 BDADRP CCn1cc(C[NH+]2CCC(C[NH2+]C)CC2)cn1 ZINC000051756239 172163105 /nfs/dbraw/zinc/16/31/05/172163105.db2.gz VZWJDYJGHQMQNL-UHFFFAOYSA-N 2 0 236.363 1.334 20 0 BDADRP C[NH+](C)C(C)(C)CNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000040807186 172394939 /nfs/dbraw/zinc/39/49/39/172394939.db2.gz QVGZKPAGJJOPBI-GFCCVEGCSA-N 2 0 249.358 1.143 20 0 BDADRP C[NH+](C)[C@@H]1CCCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000250786335 172524675 /nfs/dbraw/zinc/52/46/75/172524675.db2.gz GFTHQIMNZMHLFQ-CHWSQXEVSA-N 2 0 225.380 1.012 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCn2cnnc2C2CC2)C1 ZINC000568249465 322930574 /nfs/dbraw/zinc/93/05/74/322930574.db2.gz QYKLETMECXIOCC-VXGBXAGGSA-N 2 0 249.362 1.015 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](O)CC1 ZINC000334245611 173004924 /nfs/dbraw/zinc/00/49/24/173004924.db2.gz SYCVIMHDAYTLJG-ZIAGYGMSSA-N 2 0 240.391 1.708 20 0 BDADRP C[N@@H+]1CCC[C@@H](N2CC[NH+](C3CCC3)CC2)C1 ZINC000374281661 173020965 /nfs/dbraw/zinc/02/09/65/173020965.db2.gz BBXMKCGSRKHVPC-CQSZACIVSA-N 2 0 237.391 1.251 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000336714272 173027260 /nfs/dbraw/zinc/02/72/60/173027260.db2.gz QNFIFKCQABDPAX-REWJHTLYSA-N 2 0 238.375 1.173 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H](CO)C(C)(C)C ZINC000309555871 173027976 /nfs/dbraw/zinc/02/79/76/173027976.db2.gz JQRFOFSOCJEKHK-VXGBXAGGSA-N 2 0 228.380 1.467 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CNC1CC[NH+](C2CC2)CC1 ZINC000336669734 173034759 /nfs/dbraw/zinc/03/47/59/173034759.db2.gz AQGWELMVNUXOEU-CQSZACIVSA-N 2 0 237.391 1.297 20 0 BDADRP C[N@@H+]1CCC[C@@H]2C[NH+](CC3(C)COC3)CC[C@@H]21 ZINC000336689564 173036842 /nfs/dbraw/zinc/03/68/42/173036842.db2.gz HSZZJYRTKZKMMF-OLZOCXBDSA-N 2 0 238.375 1.439 20 0 BDADRP Cn1cccc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000050596279 173042843 /nfs/dbraw/zinc/04/28/43/173042843.db2.gz CFRXIPWWFRVUFX-GFCCVEGCSA-N 2 0 221.348 1.457 20 0 BDADRP C[N@@H+]1CCC[C@H](N2CC[NH+](CCCF)CC2)C1 ZINC000363479593 173043719 /nfs/dbraw/zinc/04/37/19/173043719.db2.gz TUESCLKPARXQSI-ZDUSSCGKSA-N 2 0 243.370 1.058 20 0 BDADRP C[N@@H+]1CCC[C@H](N2CC[NH+](CC3CC3)CC2)C1 ZINC000370556864 173044379 /nfs/dbraw/zinc/04/43/79/173044379.db2.gz IPHJBOPIQYDSGB-AWEZNQCLSA-N 2 0 237.391 1.108 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+](CC[C@H]3CCCO3)C2)C1 ZINC000336510792 173137310 /nfs/dbraw/zinc/13/73/10/173137310.db2.gz MMXNXYPOJLYYHC-ZIAGYGMSSA-N 2 0 238.375 1.583 20 0 BDADRP Cn1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000353515951 173152078 /nfs/dbraw/zinc/15/20/78/173152078.db2.gz IVDPYTGESSGNFD-QLFBSQMISA-N 2 0 247.386 1.988 20 0 BDADRP Cn1nccc1C[NH2+][C@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000367616171 173153188 /nfs/dbraw/zinc/15/31/88/173153188.db2.gz LJMKKGUEXORFJX-MELADBBJSA-N 2 0 248.374 1.383 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CCCCCO)[C@@H]2CCC[C@H]21 ZINC000353609590 173153570 /nfs/dbraw/zinc/15/35/70/173153570.db2.gz TZCHOLBZTOVEHM-MELADBBJSA-N 2 0 240.391 1.611 20 0 BDADRP C[NH2+]CC1CC[NH+](Cc2cn(C)nc2C)CC1 ZINC000128247394 173338801 /nfs/dbraw/zinc/33/88/01/173338801.db2.gz YJRPDSXTQZGLFR-UHFFFAOYSA-N 2 0 236.363 1.160 20 0 BDADRP C[NH2+]CCC1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000070188748 173342668 /nfs/dbraw/zinc/34/26/68/173342668.db2.gz XCSIJLQIPLTCNX-AWEZNQCLSA-N 2 0 240.391 1.735 20 0 BDADRP C[NH2+]CCC[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000336655718 173346945 /nfs/dbraw/zinc/34/69/45/173346945.db2.gz ABWDZWDVNWRUNF-NSHDSACASA-N 2 0 212.337 1.097 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](Cc2nc(C)ccc2O)C1 ZINC000091996109 173370833 /nfs/dbraw/zinc/37/08/33/173370833.db2.gz IDDNRCBVDNWPGC-NSHDSACASA-N 2 0 235.331 1.137 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC000223650594 173371031 /nfs/dbraw/zinc/37/10/31/173371031.db2.gz DMCQVHFLWACOOH-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@H+](CCOCC(C)C)C1 ZINC000234369610 173378742 /nfs/dbraw/zinc/37/87/42/173378742.db2.gz HVCIXODSYXWQGV-CYBMUJFWSA-N 2 0 228.380 1.590 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)[C@H](C)C[NH2+]C)cc1 ZINC000295331765 173389008 /nfs/dbraw/zinc/38/90/08/173389008.db2.gz XQOIVXZYBFSHQG-SNVBAGLBSA-N 2 0 235.331 1.200 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)[C@@H]([NH3+])CC(C)C)cc1 ZINC000295173385 173389127 /nfs/dbraw/zinc/38/91/27/173389127.db2.gz GKJBVYSMNLQFDZ-ZDUSSCGKSA-N 2 0 249.358 1.718 20 0 BDADRP COCC(C)(C)C[NH2+]CC1CC[NH+](C)CC1 ZINC000336682613 174071040 /nfs/dbraw/zinc/07/10/40/174071040.db2.gz YMVCCPNQGCTIQP-UHFFFAOYSA-N 2 0 228.380 1.590 20 0 BDADRP COCC(C)(C)C[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000336676815 174074765 /nfs/dbraw/zinc/07/47/65/174074765.db2.gz CHHNTEIGOJXDJU-VXGBXAGGSA-N 2 0 240.391 1.874 20 0 BDADRP COCC1(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)CCC1 ZINC000361294227 174098046 /nfs/dbraw/zinc/09/80/46/174098046.db2.gz DCEZCZGZEZRTDS-ZDUSSCGKSA-N 2 0 240.391 1.687 20 0 BDADRP COCC1(C[NH2+][C@H](C)CCC[NH3+])CCC1 ZINC000308879747 174105359 /nfs/dbraw/zinc/10/53/59/174105359.db2.gz DTFFBDMVRRYHMW-LLVKDONJSA-N 2 0 214.353 1.520 20 0 BDADRP COCC1([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000356363525 174111006 /nfs/dbraw/zinc/11/10/06/174111006.db2.gz QXVNFGQFXADHDQ-QWHCGFSZSA-N 2 0 238.375 1.772 20 0 BDADRP COCCC(C)(C)C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000234683072 174144096 /nfs/dbraw/zinc/14/40/96/174144096.db2.gz OSGBJNPNEVCXNE-GFCCVEGCSA-N 2 0 228.380 1.781 20 0 BDADRP COCCCCC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358497269 174178258 /nfs/dbraw/zinc/17/82/58/174178258.db2.gz AWYGJFTUAVQCNW-UHFFFAOYSA-N 2 0 240.391 1.879 20 0 BDADRP COCCCCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342080675 174179987 /nfs/dbraw/zinc/17/99/87/174179987.db2.gz GVIMLHGYJCDIPD-MELADBBJSA-N 2 0 240.391 1.862 20 0 BDADRP COCCCC[N@H+](C)CCC[NH+]1CCCC1 ZINC000337240839 174187133 /nfs/dbraw/zinc/18/71/33/174187133.db2.gz GOIFGXUZBODMKW-UHFFFAOYSA-N 2 0 228.380 1.831 20 0 BDADRP COCCCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367601913 174187849 /nfs/dbraw/zinc/18/78/49/174187849.db2.gz QIUZNKJSVKIDSB-PBWFPOADSA-N 2 0 240.391 1.970 20 0 BDADRP COCCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128018375 174203483 /nfs/dbraw/zinc/20/34/83/174203483.db2.gz BCBUIKCBMWKLRF-QWHCGFSZSA-N 2 0 226.364 1.629 20 0 BDADRP COCC[N@H+](C)CCC[NH2+]Cc1cc[nH]c1 ZINC000086250853 174275559 /nfs/dbraw/zinc/27/55/59/174275559.db2.gz OJDRTMUUMXBJII-UHFFFAOYSA-N 2 0 225.336 1.073 20 0 BDADRP COCC[N@H+](CC(C)C)C[C@]1(C)CC[NH2+]C1 ZINC000062911887 174287440 /nfs/dbraw/zinc/28/74/40/174287440.db2.gz TWMWNZCMBOTQLW-CYBMUJFWSA-N 2 0 228.380 1.590 20 0 BDADRP COCC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000045035627 174383434 /nfs/dbraw/zinc/38/34/34/174383434.db2.gz CMRRGVDQNCVGFU-NEPJUHHUSA-N 2 0 226.364 1.485 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]CCC1CC[NH+](C)CC1 ZINC000122140679 174842858 /nfs/dbraw/zinc/84/28/58/174842858.db2.gz TXXZRQXZJCYDIM-VXGBXAGGSA-N 2 0 228.380 1.731 20 0 BDADRP COc1ccc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000107933280 175102840 /nfs/dbraw/zinc/10/28/40/175102840.db2.gz WYPLPSQCHCNULW-AAEUAGOBSA-N 2 0 234.343 1.864 20 0 BDADRP COc1ccc([C@@H](C)[NH2+]CCC[NH3+])cc1OC ZINC000037713380 175176898 /nfs/dbraw/zinc/17/68/98/175176898.db2.gz RPBYPEXYALHAOO-SNVBAGLBSA-N 2 0 238.331 1.703 20 0 BDADRP COc1ccc([C@H](C)[NH2+]CCC[NH3+])cc1OC ZINC000037713379 175188281 /nfs/dbraw/zinc/18/82/81/175188281.db2.gz RPBYPEXYALHAOO-JTQLQIEISA-N 2 0 238.331 1.703 20 0 BDADRP COc1cccc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000107936004 175260536 /nfs/dbraw/zinc/26/05/36/175260536.db2.gz PQSUTFOCNBHPOK-WCQYABFASA-N 2 0 234.343 1.864 20 0 BDADRP C[C@@H](c1cccnc1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527596 176030588 /nfs/dbraw/zinc/03/05/88/176030588.db2.gz ZCJWRLPSNNPVIB-NWDGAFQWSA-N 2 0 219.332 1.813 20 0 BDADRP C[C@@H]1CCCC[C@@H]1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000309461376 176077026 /nfs/dbraw/zinc/07/70/26/176077026.db2.gz OWMHBMYXQLSWLO-SYQHCUMBSA-N 2 0 222.376 1.964 20 0 BDADRP C[C@@H]1CCC[C@H](CO)[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000336709010 176139989 /nfs/dbraw/zinc/13/99/89/176139989.db2.gz PKLZOUKFYBAADW-HZSPNIEDSA-N 2 0 240.391 1.706 20 0 BDADRP C[C@@H]1CCC[C@H]([N@H+](C)CCN2CC[NH2+]CC2)C1 ZINC000042318330 176140335 /nfs/dbraw/zinc/14/03/35/176140335.db2.gz VPTBAQGAJQIDPT-KGLIPLIRSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@@H]1CCOCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000375003017 176188747 /nfs/dbraw/zinc/18/87/47/176188747.db2.gz DWUCKKNLAWQXKB-OLZOCXBDSA-N 2 0 226.364 1.582 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(C)CCOCC1 ZINC000334420512 176268852 /nfs/dbraw/zinc/26/88/52/176268852.db2.gz SWVWDCPROUCGNW-OLZOCXBDSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCN1CC=CCC1 ZINC000359075420 176269728 /nfs/dbraw/zinc/26/97/28/176269728.db2.gz ZIBLBICMTMDSFS-KGLIPLIRSA-N 2 0 237.391 1.178 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@](C)(O)C1CC1 ZINC000309829443 176271133 /nfs/dbraw/zinc/27/11/33/176271133.db2.gz YDRFRUJSRMMOSU-RAIGVLPGSA-N 2 0 226.364 1.077 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1NCC[NH+]1CCCCC1 ZINC000359724973 176271326 /nfs/dbraw/zinc/27/13/26/176271326.db2.gz YAPSHFDAYZPXIJ-ZIAGYGMSSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(CCO)CCC1 ZINC000358294152 176271385 /nfs/dbraw/zinc/27/13/85/176271385.db2.gz JCEBHACSALCCAP-CHWSQXEVSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CC(C)(C)O1 ZINC000045693918 176286066 /nfs/dbraw/zinc/28/60/66/176286066.db2.gz INSFGNFDGDEPKB-LLVKDONJSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1CSCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000069760992 176351005 /nfs/dbraw/zinc/35/10/05/176351005.db2.gz SFHYONGJBDWGIJ-NEPJUHHUSA-N 2 0 228.405 1.813 20 0 BDADRP C[C@@H]1CSC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000304581793 176353248 /nfs/dbraw/zinc/35/32/48/176353248.db2.gz YLYIQEXMIBTMBT-WZRBSPASSA-N 2 0 240.416 1.812 20 0 BDADRP C[C@@H]1CSC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000304581790 176355928 /nfs/dbraw/zinc/35/59/28/176355928.db2.gz YLYIQEXMIBTMBT-NTZNESFSSA-N 2 0 240.416 1.812 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccc(F)c1 ZINC000122361537 176367738 /nfs/dbraw/zinc/36/77/38/176367738.db2.gz FCSGAFAURXGZER-PWSUYJOCSA-N 2 0 222.307 1.995 20 0 BDADRP C[C@@H]1C[C@@H](C[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC[NH2+]1 ZINC000300055660 176368414 /nfs/dbraw/zinc/36/84/14/176368414.db2.gz JMGJTQBPYGUTDS-XQHKEYJVSA-N 2 0 224.348 1.238 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)CCO1 ZINC000352608457 176369045 /nfs/dbraw/zinc/36/90/45/176369045.db2.gz LGRVGXLCCYXJOZ-RDBSUJKOSA-N 2 0 240.391 1.685 20 0 BDADRP C[C@@H]1C[C@@H]([N@H+](C)CCOCC2CC2)CCN1C ZINC000123136937 176370752 /nfs/dbraw/zinc/37/07/52/176370752.db2.gz PMWBVINTCFOLMO-OCCSQVGLSA-N 2 0 240.391 1.828 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCNc2ccccn2)CC[N@@H+]1C ZINC000268996053 176375823 /nfs/dbraw/zinc/37/58/23/176375823.db2.gz NRGJTDSLZHJIJB-OLZOCXBDSA-N 2 0 248.374 1.566 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCc2cnccn2)CC[N@@H+]1C ZINC000341883021 176376150 /nfs/dbraw/zinc/37/61/50/176376150.db2.gz TZKJPRVMKUMOMR-NEPJUHHUSA-N 2 0 234.347 1.091 20 0 BDADRP C[C@H](C(=O)NCC[NH+](C)C)[C@H]([NH3+])c1ccccc1 ZINC000131610145 176572138 /nfs/dbraw/zinc/57/21/38/176572138.db2.gz RVFSRQBZHOMVIR-AAEUAGOBSA-N 2 0 249.358 1.000 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCCS1 ZINC000308119335 176620087 /nfs/dbraw/zinc/62/00/87/176620087.db2.gz CGPFCLBNPYBKBB-ZJUUUORDSA-N 2 0 202.367 1.599 20 0 BDADRP C[C@H]1CCC[C@H]([N@H+](C)CCN2CC[NH2+]CC2)C1 ZINC000042318333 177134087 /nfs/dbraw/zinc/13/40/87/177134087.db2.gz VPTBAQGAJQIDPT-KBPBESRZSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@H]1CC[N@H+](C)CCN1C[C@@H]1CCC[NH2+]C1 ZINC000336363473 177157298 /nfs/dbraw/zinc/15/72/98/177157298.db2.gz DULVOPPJNQKNIZ-QWHCGFSZSA-N 2 0 225.380 1.012 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CCSCC1 ZINC000335160050 177174836 /nfs/dbraw/zinc/17/48/36/177174836.db2.gz ZFHFNWOBLVXPBY-JQWIXIFHSA-N 2 0 228.405 1.860 20 0 BDADRP C[C@H]1CC[C@@H](C[NH+]2CCC(C[NH+](C)C)CC2)O1 ZINC000336694375 177189575 /nfs/dbraw/zinc/18/95/75/177189575.db2.gz KZTSETRJWATEMT-JSGCOSHPSA-N 2 0 240.391 1.828 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCCF ZINC000336685829 177234251 /nfs/dbraw/zinc/23/42/51/177234251.db2.gz LDERBPSCLZKDIB-WDEREUQCSA-N 2 0 202.317 1.666 20 0 BDADRP C[C@H]1C[C@@H](C[N@H+](C)Cc2ccccn2)CC[NH2+]1 ZINC000235697929 177323297 /nfs/dbraw/zinc/32/32/97/177323297.db2.gz CVVUTSXZVYSSHJ-STQMWFEESA-N 2 0 233.359 1.902 20 0 BDADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(F)cc1 ZINC000122305303 177324402 /nfs/dbraw/zinc/32/44/02/177324402.db2.gz FEYHLHVXAXJXNO-JQWIXIFHSA-N 2 0 222.307 1.995 20 0 BDADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCc1cccnc1 ZINC000049712944 177327856 /nfs/dbraw/zinc/32/78/56/177327856.db2.gz UJLRIBFFXZPVDK-AAEUAGOBSA-N 2 0 219.332 1.436 20 0 BDADRP C[C@H]1C[C@@H](NCCC[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000309960586 177331116 /nfs/dbraw/zinc/33/11/16/177331116.db2.gz YEJDTUDZWWPDOO-DZGCQCFKSA-N 2 0 247.386 1.588 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCc2ccccn2)CC[N@@H+]1C ZINC000129522619 177332503 /nfs/dbraw/zinc/33/25/03/177332503.db2.gz PMHDAMZRJLRMEV-JSGCOSHPSA-N 2 0 233.359 1.696 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1cnccn1 ZINC000341901522 177332838 /nfs/dbraw/zinc/33/28/38/177332838.db2.gz YWNSGEWQDQZGNX-MBNYWOFBSA-N 2 0 248.374 1.337 20 0 BDADRP C[C@H](CCN1CCOCC1)[NH2+]C[C@H]1C[C@@H]1C ZINC000309514729 177345398 /nfs/dbraw/zinc/34/53/98/177345398.db2.gz YIKVQPPKQRISPV-YNEHKIRRSA-N 2 0 226.364 1.343 20 0 BDADRP C[C@H](C[NH2+]C[C@H]1C[C@@H]1C)C[NH+]1CCCC1 ZINC000336765719 177345901 /nfs/dbraw/zinc/34/59/01/177345901.db2.gz RKBDWUYFRGHQBB-FRRDWIJNSA-N 2 0 210.365 1.964 20 0 BDADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccs1 ZINC000126711886 177361670 /nfs/dbraw/zinc/36/16/70/177361670.db2.gz NDKVMJFEXHNQOS-VHSXEESVSA-N 2 0 210.346 1.917 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000328276573 487642196 /nfs/dbraw/zinc/64/21/96/487642196.db2.gz QWUHCPJUENBEAU-MJBXVCDLSA-N 2 0 239.407 1.543 20 0 BDADRP C[C@H]1C[C@@H]1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000488336813 225377649 /nfs/dbraw/zinc/37/76/49/225377649.db2.gz IGQRTXLQWODLEP-QWHCGFSZSA-N 2 0 240.391 1.685 20 0 BDADRP C[C@@H](CCCC[NH3+])NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000495147011 226277189 /nfs/dbraw/zinc/27/71/89/226277189.db2.gz NCZRVRLKGYAOIV-AAEUAGOBSA-N 2 0 241.379 1.152 20 0 BDADRP C[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000400360920 226341678 /nfs/dbraw/zinc/34/16/78/226341678.db2.gz BWYITTKGILZKKP-SCRDCRAPSA-N 2 0 237.391 1.201 20 0 BDADRP C[C@H]([NH2+][C@@H](CCO)C(C)(C)C)[C@H]1CCC[NH2+]1 ZINC000400393494 226342649 /nfs/dbraw/zinc/34/26/49/226342649.db2.gz JKYRCPSOONRHEX-TUAOUCFPSA-N 2 0 228.380 1.514 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000400905045 226352187 /nfs/dbraw/zinc/35/21/87/226352187.db2.gz AGKBKJGHTWTPFO-ZBAXXZLZSA-N 2 0 208.349 1.763 20 0 BDADRP CO[C@@H](C)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000228575663 487679868 /nfs/dbraw/zinc/67/98/68/487679868.db2.gz ZBHIFHPBGWIZFP-DCAQKATOSA-N 2 0 200.326 1.094 20 0 BDADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2cccnc2)C[C@@H]1C[NH3+] ZINC000397358625 262924327 /nfs/dbraw/zinc/92/43/27/262924327.db2.gz FVNFQOYOBFTMDF-BZPMIXESSA-N 2 0 233.359 1.887 20 0 BDADRP C[C@H](CO)[C@H](C)[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000228725626 487718986 /nfs/dbraw/zinc/71/89/86/487718986.db2.gz XLWMIQIIFHDQCX-AGIUHOORSA-N 2 0 228.380 1.467 20 0 BDADRP COC(=O)[C@H]1CCC[C@@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])C1 ZINC001172614889 974887356 /nfs/dbraw/zinc/88/73/56/974887356.db2.gz ZMWHDIGSBUNAKU-WHOHXGKFSA-N 2 0 240.347 1.188 20 0 BDADRP COC(=O)c1cc(CN[C@H](C)CC[NH3+])oc1C ZINC000414875042 487733778 /nfs/dbraw/zinc/73/37/78/487733778.db2.gz BQLDDZPXUDDOFK-MRVPVSSYSA-N 2 0 240.303 1.202 20 0 BDADRP CCO[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000250523702 487734337 /nfs/dbraw/zinc/73/43/37/487734337.db2.gz QMIRMCQQHAWJDK-NWDGAFQWSA-N 2 0 212.337 1.097 20 0 BDADRP CCOCC[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000379463975 487734502 /nfs/dbraw/zinc/73/45/02/487734502.db2.gz VVOLYVVNDJOTNZ-UHFFFAOYSA-N 2 0 212.337 1.239 20 0 BDADRP C[C@H](CCCCO)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000666152655 487741376 /nfs/dbraw/zinc/74/13/76/487741376.db2.gz IXVHGXMSDCERFR-GFCCVEGCSA-N 2 0 247.342 1.975 20 0 BDADRP c1cc(N2CC[NH+]([C@H]3CCCOC3)CC2)cc[nH+]1 ZINC000675499587 487742520 /nfs/dbraw/zinc/74/25/20/487742520.db2.gz MUJRURUDHRLSAZ-AWEZNQCLSA-N 2 0 247.342 1.383 20 0 BDADRP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cn1 ZINC000385226345 487772506 /nfs/dbraw/zinc/77/25/06/487772506.db2.gz DYBGNWMMBROKNY-GJZGRUSLSA-N 2 0 245.370 1.951 20 0 BDADRP CC[C@H](C)[C@](C)(O)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000675875594 487785148 /nfs/dbraw/zinc/78/51/48/487785148.db2.gz YVFCGOBXQZIEIB-XDQVBPFNSA-N 2 0 242.407 1.856 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC000223649592 487788666 /nfs/dbraw/zinc/78/86/66/487788666.db2.gz KWTCGFSWGBFBBW-NEPJUHHUSA-N 2 0 212.337 1.226 20 0 BDADRP C[NH2+][C@H](C)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000414997024 487790349 /nfs/dbraw/zinc/79/03/49/487790349.db2.gz YBFDRJGHHBWMRQ-WRWGMCAJSA-N 2 0 224.348 1.142 20 0 BDADRP CO[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000223868611 487798537 /nfs/dbraw/zinc/79/85/37/487798537.db2.gz PILAFLIPZYKKBG-GMTAPVOTSA-N 2 0 200.326 1.128 20 0 BDADRP CC1(C)CC([NH2+]CCOCC[NH3+])CC(C)(C)O1 ZINC001172649002 974896443 /nfs/dbraw/zinc/89/64/43/974896443.db2.gz FZTWLSPEYVIIDD-UHFFFAOYSA-N 2 0 244.379 1.288 20 0 BDADRP CCO[C@H]1C[C@H]([N@H+](C)CCC[NH3+])C12CCC2 ZINC000414697666 487817271 /nfs/dbraw/zinc/81/72/71/487817271.db2.gz CPYGIKOGVPLZCR-RYUDHWBXSA-N 2 0 226.364 1.615 20 0 BDADRP Cc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]C2)cn1 ZINC000414835222 487824975 /nfs/dbraw/zinc/82/49/75/487824975.db2.gz ICBFRQUKGFKYJE-CYBMUJFWSA-N 2 0 233.359 1.869 20 0 BDADRP CC[N@@H+]1CC[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000414921792 487829097 /nfs/dbraw/zinc/82/90/97/487829097.db2.gz FWNHTLUWVGMRSN-FQUUOJAGSA-N 3 0 239.407 1.576 20 0 BDADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@](C)([NH3+])CCC)C1 ZINC000389737946 487833552 /nfs/dbraw/zinc/83/35/52/487833552.db2.gz LFSZXPAVXYCAOZ-WCQYABFASA-N 2 0 241.379 1.104 20 0 BDADRP Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cn1 ZINC000415030315 487833671 /nfs/dbraw/zinc/83/36/71/487833671.db2.gz FNYBDRBUCHIVJE-DGCLKSJQSA-N 2 0 219.332 1.607 20 0 BDADRP Cc1cccc(OC[C@H](C)[NH2+]CCC[NH3+])c1 ZINC000415082535 487835731 /nfs/dbraw/zinc/83/57/31/487835731.db2.gz ONNBOVNSFSYKBJ-LBPRGKRZSA-N 2 0 222.332 1.701 20 0 BDADRP CCOc1ccccc1CC[NH2+]C1CC[NH2+]CC1 ZINC000415073799 487836570 /nfs/dbraw/zinc/83/65/70/487836570.db2.gz BOQWWGXQXPDSPN-UHFFFAOYSA-N 2 0 248.370 1.969 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000253075683 487846786 /nfs/dbraw/zinc/84/67/86/487846786.db2.gz QQABFKAWRLVJCR-SDDRHHMPSA-N 2 0 214.353 1.374 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)[C@H]1CCOC1 ZINC000253075682 487846650 /nfs/dbraw/zinc/84/66/50/487846650.db2.gz QQABFKAWRLVJCR-GRYCIOLGSA-N 2 0 214.353 1.374 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCOCc2ccccc2)C1 ZINC000309912008 487847366 /nfs/dbraw/zinc/84/73/66/487847366.db2.gz SEDOYZFCQPYMML-DZGCQCFKSA-N 2 0 248.370 1.872 20 0 BDADRP C[C@@H]1C[C@@H](C[N@H+](CCCO)C2CC2)CC[NH2+]1 ZINC000666640271 487848981 /nfs/dbraw/zinc/84/89/81/487848981.db2.gz RDZBRWVLQXNRSC-NEPJUHHUSA-N 2 0 226.364 1.221 20 0 BDADRP CCc1nn(C)cc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000666787406 487859432 /nfs/dbraw/zinc/85/94/32/487859432.db2.gz FREYNZMWIOESAY-NSHDSACASA-N 2 0 236.363 1.072 20 0 BDADRP COC[C@@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000682029238 487883376 /nfs/dbraw/zinc/88/33/76/487883376.db2.gz NWIYONXKKBKDGX-AWEZNQCLSA-N 2 0 240.391 1.973 20 0 BDADRP CC[C@H]1C[N@H+](CC2CC[NH2+]CC2)[C@H](C)CO1 ZINC000403813909 487890726 /nfs/dbraw/zinc/89/07/26/487890726.db2.gz LKFKCGZCJZYCQD-YPMHNXCESA-N 2 0 226.364 1.485 20 0 BDADRP CCCn1cc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cn1 ZINC000666952388 487890227 /nfs/dbraw/zinc/89/02/27/487890227.db2.gz UWMOPVSOKCZAKM-ZDUSSCGKSA-N 2 0 248.374 1.525 20 0 BDADRP C[N@H+](CCC[NH3+])C[C@H]1CCC2(CCCC2)O1 ZINC000229259122 487898935 /nfs/dbraw/zinc/89/89/35/487898935.db2.gz ZOJIARIJYAKKNJ-GFCCVEGCSA-N 2 0 226.364 1.759 20 0 BDADRP COC[C@H](C)C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000666904090 487900377 /nfs/dbraw/zinc/90/03/77/487900377.db2.gz OQUBNSRCIYUKRE-VXGBXAGGSA-N 2 0 214.353 1.391 20 0 BDADRP C[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666993842 487902651 /nfs/dbraw/zinc/90/26/51/487902651.db2.gz NXTKYPWVADBOKJ-GRYCIOLGSA-N 2 0 208.349 1.907 20 0 BDADRP C1[C@H]([NH2+][C@H]2CCCSC2)C12CC[NH2+]CC2 ZINC000666953509 487915216 /nfs/dbraw/zinc/91/52/16/487915216.db2.gz ADWQRRFONQKXND-QWRGUYRKSA-N 2 0 226.389 1.614 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666955473 487917360 /nfs/dbraw/zinc/91/73/60/487917360.db2.gz NPLONZCISCHOMM-FRRDWIJNSA-N 3 0 237.391 1.249 20 0 BDADRP COC[C@H](C)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000666968924 487921492 /nfs/dbraw/zinc/92/14/92/487921492.db2.gz IUKNPEGKHGIPIR-MGPQQGTHSA-N 2 0 240.391 1.733 20 0 BDADRP CC(C)O[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000404663530 487930988 /nfs/dbraw/zinc/93/09/88/487930988.db2.gz XQGSTSLFJQFVRQ-CQSZACIVSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H](CC1CCC1)[NH2+]C[C@@H]1CNCCO1 ZINC000667037298 487932995 /nfs/dbraw/zinc/93/29/95/487932995.db2.gz YYQFIPAEQLKOCS-JQWIXIFHSA-N 2 0 212.337 1.143 20 0 BDADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CCCF)C1 ZINC000652363590 487933263 /nfs/dbraw/zinc/93/32/63/487933263.db2.gz IXSXHBLSFDOIML-FRRDWIJNSA-N 2 0 244.354 1.707 20 0 BDADRP CN(CC[NH+]1CCCCC1)C[C@H]1CC[NH2+]C1 ZINC000652363489 487933318 /nfs/dbraw/zinc/93/33/18/487933318.db2.gz FYVPIPQBSDWDEI-ZDUSSCGKSA-N 2 0 225.380 1.014 20 0 BDADRP Cc1cn2cc(NC(=O)NC[C@H](C)[NH3+])ccc2n1 ZINC000667040445 487933451 /nfs/dbraw/zinc/93/34/51/487933451.db2.gz MNJCVRPBLRVCQZ-QMMMGPOBSA-N 2 0 247.302 1.111 20 0 BDADRP C[C@H]([NH3+])C[N@@H+]1CCc2ccccc2[C@H](C)C1 ZINC000404977938 487938492 /nfs/dbraw/zinc/93/84/92/487938492.db2.gz BSLRZFBBDWKIFJ-NEPJUHHUSA-N 2 0 218.344 1.995 20 0 BDADRP C[C@H](NCc1ccc(C[NH3+])cc1)[C@H]1CCCC[NH2+]1 ZINC000564989231 322991868 /nfs/dbraw/zinc/99/18/68/322991868.db2.gz URMTXJORWKVYIT-SWLSCSKDSA-N 2 0 247.386 1.766 20 0 BDADRP C[NH2+]CCC[NH+]1CCC(C2CCOCC2)CC1 ZINC000564729036 323011522 /nfs/dbraw/zinc/01/15/22/323011522.db2.gz IYUMQWKVNOZOLM-UHFFFAOYSA-N 2 0 240.391 1.735 20 0 BDADRP c1n[nH]cc1CC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000562100582 323012054 /nfs/dbraw/zinc/01/20/54/323012054.db2.gz SSOJMHBFYGBQQW-UHFFFAOYSA-N 2 0 248.374 1.416 20 0 BDADRP CC(C)[C@](C)(O)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000248200725 323016760 /nfs/dbraw/zinc/01/67/60/323016760.db2.gz YPCJOOZUGQEMBP-AAVRWANBSA-N 2 0 242.407 1.712 20 0 BDADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@H]([NH3+])CC ZINC000562808925 323031094 /nfs/dbraw/zinc/03/10/94/323031094.db2.gz ZFPOURVGTKJIMI-OLZOCXBDSA-N 2 0 249.358 1.102 20 0 BDADRP Cc1nccc(N2CC[C@H]([NH+]3CCCC3)C2)n1 ZINC000525706578 323038645 /nfs/dbraw/zinc/03/86/45/323038645.db2.gz GQBQVXAZYUUBPS-LBPRGKRZSA-N 2 0 232.331 1.460 20 0 BDADRP CC(C)C(=O)NCCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000569825395 323042052 /nfs/dbraw/zinc/04/20/52/323042052.db2.gz PGGASKYVOKUKRB-VXGBXAGGSA-N 2 0 241.379 1.008 20 0 BDADRP C[NH+](C)CC1CCC([NH2+]CC2(O)CCC2)CC1 ZINC000570036607 323047881 /nfs/dbraw/zinc/04/78/81/323047881.db2.gz BUDKRIWKWCJAQD-UHFFFAOYSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@H]([NH3+])c1ccc(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000570273717 323054509 /nfs/dbraw/zinc/05/45/09/323054509.db2.gz MPKGLSGDONDBGQ-KWBADKCTSA-N 2 0 247.342 1.268 20 0 BDADRP CC(C)[C@@H]1C[C@@H]([NH2+]CC2CC[NH2+]CC2)CCO1 ZINC000570388890 323058059 /nfs/dbraw/zinc/05/80/59/323058059.db2.gz MMYQBJMORFNVPW-KBPBESRZSA-N 2 0 240.391 1.779 20 0 BDADRP CC(C)[N@H+](C)CC(=O)NCc1ccc(C[NH3+])cc1 ZINC000570400430 323058508 /nfs/dbraw/zinc/05/85/08/323058508.db2.gz YFSIEABBVVBRDM-UHFFFAOYSA-N 2 0 249.358 1.102 20 0 BDADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)CCO1 ZINC000570570954 323063557 /nfs/dbraw/zinc/06/35/57/323063557.db2.gz VIUFWIWALWIVMA-SMDDNHRTSA-N 2 0 234.343 1.802 20 0 BDADRP CCn1nccc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000160236746 323064412 /nfs/dbraw/zinc/06/44/12/323064412.db2.gz YFGCNBKPNGNKHT-UHFFFAOYSA-N 2 0 236.363 1.464 20 0 BDADRP CC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)C1CCC1 ZINC000397576723 323081091 /nfs/dbraw/zinc/08/10/91/323081091.db2.gz GIXHGQNAJIMRNR-ZDUSSCGKSA-N 2 0 240.391 1.611 20 0 BDADRP CCC[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000390072371 323083367 /nfs/dbraw/zinc/08/33/67/323083367.db2.gz OGTCKSLCNPFMOB-GHMZBOCLSA-N 2 0 200.326 1.143 20 0 BDADRP C[C@]1(C[NH2+]Cc2ccc(C[NH3+])cc2)CC[NH2+]C1 ZINC000563135411 323094561 /nfs/dbraw/zinc/09/45/61/323094561.db2.gz LYCDEXLSPQRZGS-AWEZNQCLSA-N 3 0 233.359 1.235 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC000563154564 323095715 /nfs/dbraw/zinc/09/57/15/323095715.db2.gz PVCPGDMPJTYWSQ-QCNOEVLYSA-N 2 0 214.328 1.984 20 0 BDADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCCC12CCC2 ZINC000394733240 323096422 /nfs/dbraw/zinc/09/64/22/323096422.db2.gz LXNQWYXSOPCKOS-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+]C[C@@H]1CCCOC1 ZINC000224539690 323097578 /nfs/dbraw/zinc/09/75/78/323097578.db2.gz WQZLGIKGXFYPHX-ZDUSSCGKSA-N 2 0 228.380 1.733 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000567896413 323097960 /nfs/dbraw/zinc/09/79/60/323097960.db2.gz JVQOICJXHKWJBL-AVGNSLFASA-N 3 0 225.380 1.045 20 0 BDADRP C[N@H+](CCOCC[NH3+])[C@H]1CCCc2ccccc21 ZINC000571047213 323105241 /nfs/dbraw/zinc/10/52/41/323105241.db2.gz LIDMSJBCFUYLFA-HNNXBMFYSA-N 2 0 248.370 1.971 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC[C@H]2O)C1 ZINC000567123326 323119762 /nfs/dbraw/zinc/11/97/62/323119762.db2.gz DHBJHRDCXHSDCT-ZDEQEGDKSA-N 2 0 226.364 1.397 20 0 BDADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@H](C)O)C1 ZINC000563528760 323129194 /nfs/dbraw/zinc/12/91/94/323129194.db2.gz FAAJUUOQQIWFKI-FRRDWIJNSA-N 2 0 228.380 1.323 20 0 BDADRP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)C[N@H+](C)CC ZINC000310541207 323132857 /nfs/dbraw/zinc/13/28/57/323132857.db2.gz QYHQBOUQQSGBAS-RDBSUJKOSA-N 2 0 242.407 1.857 20 0 BDADRP CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000571111893 323135903 /nfs/dbraw/zinc/13/59/03/323135903.db2.gz CJGNMHZXBHFLGY-ZUWCUPBKSA-N 2 0 238.375 1.626 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C[C@@H](O)Cc2ccccc2)C1 ZINC000571416569 323144305 /nfs/dbraw/zinc/14/43/05/323144305.db2.gz GQYMPYXRLDRSHO-ZNMIVQPWSA-N 2 0 248.370 1.450 20 0 BDADRP C[C@H]1C[C@@H](C[NH3+])CN1CC[NH2+]C(C)(C)C ZINC000414654287 323150982 /nfs/dbraw/zinc/15/09/82/323150982.db2.gz BUXVTNNUJMLNBL-QWRGUYRKSA-N 2 0 213.369 1.044 20 0 BDADRP CC(C)Cn1cc(C[NH2+][C@@H](C)CC[NH3+])cn1 ZINC000414894018 323151815 /nfs/dbraw/zinc/15/18/15/323151815.db2.gz YTKZGCWSUSHPFP-NSHDSACASA-N 2 0 224.352 1.366 20 0 BDADRP CN1CCC[C@@H]1C[NH2+]CC1=CCCOC1 ZINC000124671160 323153563 /nfs/dbraw/zinc/15/35/63/323153563.db2.gz OLHRZGNJOZCVTE-GFCCVEGCSA-N 2 0 210.321 1.017 20 0 BDADRP Cc1nccn1CC[N@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000535034699 323164135 /nfs/dbraw/zinc/16/41/35/323164135.db2.gz IYMILHFVEQFJQK-AAEUAGOBSA-N 2 0 237.347 1.284 20 0 BDADRP Cc1nccn1CC[N@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000535034727 323164186 /nfs/dbraw/zinc/16/41/86/323164186.db2.gz IYMILHFVEQFJQK-DGCLKSJQSA-N 2 0 237.347 1.284 20 0 BDADRP C[C@H]([NH2+]CCCCF)[C@H]1CCCC[NH2+]1 ZINC000395106701 323187097 /nfs/dbraw/zinc/18/70/97/323187097.db2.gz XHSMTFZYRNEKGG-WDEREUQCSA-N 2 0 202.317 1.856 20 0 BDADRP CSCC[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000535758153 323190511 /nfs/dbraw/zinc/19/05/11/323190511.db2.gz ZCNGADDNYZZACN-SNVBAGLBSA-N 2 0 225.361 1.572 20 0 BDADRP C[C@@H]1CC[C@@H](O)C[N@@H+]1CCCn1ccnc1 ZINC000399303308 323203386 /nfs/dbraw/zinc/20/33/86/323203386.db2.gz XZWCEWHHJCOVRZ-VXGBXAGGSA-N 2 0 223.320 1.118 20 0 BDADRP CC(C)[C@@H](C(=O)N[C@H](C)CC[NH+](C)C)[C@H](C)[NH3+] ZINC000399419824 323205881 /nfs/dbraw/zinc/20/58/81/323205881.db2.gz FBXOHHAEMRCMTF-GRYCIOLGSA-N 2 0 243.395 1.062 20 0 BDADRP Cc1cnc(C)nc1NCCCCn1ccnc1 ZINC000563898638 323207511 /nfs/dbraw/zinc/20/75/11/323207511.db2.gz NGVMMQRTMGBFQT-UHFFFAOYSA-N 2 0 245.330 1.604 20 0 BDADRP COCCC1CC[NH+]([C@@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000530209402 323209459 /nfs/dbraw/zinc/20/94/59/323209459.db2.gz HENUZDRJAUKZOO-GXTWGEPZSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CCCOC1)[C@@H]1CCCC[NH2+]1 ZINC000530211534 323211567 /nfs/dbraw/zinc/21/15/67/323211567.db2.gz METULNBIFRYAIH-IHRRRGAJSA-N 2 0 240.391 1.923 20 0 BDADRP FC1(C[NH2+]CC2CC[NH+](C3CC3)CC2)CC1 ZINC000309598759 323430050 /nfs/dbraw/zinc/43/00/50/323430050.db2.gz VRNICULQVPWLPB-UHFFFAOYSA-N 2 0 226.339 1.953 20 0 BDADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)C(C)(C)C ZINC000162554543 323626364 /nfs/dbraw/zinc/62/63/64/323626364.db2.gz ALPPHNYSBDSLSV-CYBMUJFWSA-N 2 0 241.423 1.648 20 0 BDADRP COC[C@H](C)C[NH2+][C@H](C)CC[NH+](C)C ZINC000123177228 324093984 /nfs/dbraw/zinc/09/39/84/324093984.db2.gz YLNIYNYQAYOJIY-GHMZBOCLSA-N 2 0 202.342 1.199 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC1CC=CC1 ZINC000530214166 324530169 /nfs/dbraw/zinc/53/01/69/324530169.db2.gz BRFLHMQVDRHVAF-WCQYABFASA-N 2 0 208.349 1.930 20 0 BDADRP CC[C@@H](N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1CCC[NH2+]1 ZINC000530215708 324531117 /nfs/dbraw/zinc/53/11/17/324531117.db2.gz IDFYMGYJFKRFSO-FRRDWIJNSA-N 2 0 237.391 1.391 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)[C@@H]1CCCO1 ZINC000130049109 325007608 /nfs/dbraw/zinc/00/76/08/325007608.db2.gz CXYJSIVPARVUJR-XQHKEYJVSA-N 2 0 226.364 1.626 20 0 BDADRP CC[C@H](C(=O)NCC[N@H+](CC)C(C)C)[NH+](C)C ZINC000131457419 325153264 /nfs/dbraw/zinc/15/32/64/325153264.db2.gz KTUOTOKMIGCBNA-GFCCVEGCSA-N 2 0 243.395 1.173 20 0 BDADRP C[NH+](C)[C@@H]1CCCN(CC[NH+]2CCCCC2)C1 ZINC000077173828 325367810 /nfs/dbraw/zinc/36/78/10/325367810.db2.gz AJRMWTWLSBQPSQ-CQSZACIVSA-N 2 0 239.407 1.498 20 0 BDADRP C[C@](C[NH3+])(NC(=O)c1ccc(C[NH3+])cc1)C1CC1 ZINC000564991388 325841526 /nfs/dbraw/zinc/84/15/26/325841526.db2.gz NJNQBQJZRAOVNM-CQSZACIVSA-N 2 0 247.342 1.003 20 0 BDADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)[C@H]1CCOC1 ZINC000158662697 487970580 /nfs/dbraw/zinc/97/05/80/487970580.db2.gz OCFMEYLTNVFEPM-YPMHNXCESA-N 2 0 226.364 1.391 20 0 BDADRP Cc1cccc(C[NH2+]C2CCC(C[NH3+])CC2)n1 ZINC000566089410 325992724 /nfs/dbraw/zinc/99/27/24/325992724.db2.gz QGHQNWAOYLCDLI-UHFFFAOYSA-N 2 0 233.359 1.997 20 0 BDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)CC[C@H](C)[NH3+])cc1 ZINC000566201119 326011843 /nfs/dbraw/zinc/01/18/43/326011843.db2.gz XIWALSJMXBNXDB-WDEREUQCSA-N 2 0 249.358 1.450 20 0 BDADRP Cn1cncc1CCC[N@H+](C)CCn1cccn1 ZINC000566418363 326043247 /nfs/dbraw/zinc/04/32/47/326043247.db2.gz GANSGNJCPYXWPR-UHFFFAOYSA-N 2 0 247.346 1.181 20 0 BDADRP CC[NH2+]CCC[NH2+][C@@H]1CCC[C@@H]1COCC ZINC000566614422 326068027 /nfs/dbraw/zinc/06/80/27/326068027.db2.gz RIVPDDYRNJXMHD-CHWSQXEVSA-N 2 0 228.380 1.781 20 0 BDADRP CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000566807308 326085503 /nfs/dbraw/zinc/08/55/03/326085503.db2.gz MCPXYFITYRYZIO-WUHRBBMRSA-N 2 0 228.380 1.643 20 0 BDADRP CC[NH+]1CCC([NH2+]Cc2ccc(C[NH3+])cc2)CC1 ZINC000566973391 326098587 /nfs/dbraw/zinc/09/85/87/326098587.db2.gz IXKIOUMLFDDHEB-UHFFFAOYSA-N 3 0 247.386 1.719 20 0 BDADRP CC[C@H]([NH3+])C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000567045928 326106334 /nfs/dbraw/zinc/10/63/34/326106334.db2.gz JXFCDRATGNKVQX-LBPRGKRZSA-N 2 0 243.395 1.349 20 0 BDADRP C[N@H+](CC[C@H]1CC[NH2+]C1)Cc1cccc(O)c1 ZINC000567456510 326195863 /nfs/dbraw/zinc/19/58/63/326195863.db2.gz SOMGXFXOIKLUJB-GFCCVEGCSA-N 2 0 234.343 1.824 20 0 BDADRP C[N@H+](CCC[NH+]1CCCC1)CC1CCOCC1 ZINC000155929232 326214908 /nfs/dbraw/zinc/21/49/08/326214908.db2.gz NBRPSMVTDZHCCQ-UHFFFAOYSA-N 2 0 240.391 1.831 20 0 BDADRP CCO[C@@H]1C[C@@H]1[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000567640426 326236783 /nfs/dbraw/zinc/23/67/83/326236783.db2.gz HXZIWSHHKDMQLM-WISYIIOYSA-N 2 0 212.337 1.142 20 0 BDADRP C(C[NH2+]C1CC1)C[NH2+][C@H]1CCC12CCOCC2 ZINC000567652966 326239102 /nfs/dbraw/zinc/23/91/02/326239102.db2.gz ZZYBMHSLKKVBNB-ZDUSSCGKSA-N 2 0 238.375 1.677 20 0 BDADRP Cc1[nH]nc2ncc(CN(C)CCC[NH3+])cc12 ZINC000567864622 326272695 /nfs/dbraw/zinc/27/26/95/326272695.db2.gz DETYTGJVTPIHCR-UHFFFAOYSA-N 2 0 233.319 1.047 20 0 BDADRP C[C@H](c1cnccn1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000567888729 326276928 /nfs/dbraw/zinc/27/69/28/326276928.db2.gz PLVCSSBOYHTFTI-GFCCVEGCSA-N 2 0 246.358 1.613 20 0 BDADRP CCC[C@@H](C)[C@H]1CCC[N@@H+]1CCOCC[NH3+] ZINC000568051606 326300499 /nfs/dbraw/zinc/30/04/99/326300499.db2.gz UEIUOIBCSCTIFQ-CHWSQXEVSA-N 2 0 228.380 1.862 20 0 BDADRP CCOc1cccc(CNC2CC([NH+](C)C)C2)n1 ZINC000568239886 326332880 /nfs/dbraw/zinc/33/28/80/326332880.db2.gz UXJJGUQNTJAJPT-UHFFFAOYSA-N 2 0 249.358 1.663 20 0 BDADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC000568381936 326351975 /nfs/dbraw/zinc/35/19/75/326351975.db2.gz YPHZQVGIOJNMLB-JOYOIKCWSA-N 2 0 208.349 1.892 20 0 BDADRP C[C@H]([NH2+]CC(C1CC1)C1CC1)C1C[NH2+]C1 ZINC000568499430 326359671 /nfs/dbraw/zinc/35/96/71/326359671.db2.gz ZVRRPBCUUVKICS-VIFPVBQESA-N 2 0 208.349 1.620 20 0 BDADRP [NH3+][C@H]1CCC[C@H](C[NH2+]CC2CC[NH2+]CC2)C1 ZINC000568761729 326375912 /nfs/dbraw/zinc/37/59/12/326375912.db2.gz GRKMBDVLMIIFOU-STQMWFEESA-N 3 0 225.380 1.093 20 0 BDADRP CC(C)C[C@@H]([NH3+])c1noc(CC2(C[NH3+])CC2)n1 ZINC000569241396 326397355 /nfs/dbraw/zinc/39/73/55/326397355.db2.gz RJMHJPHACIFEAA-SECBINFHSA-N 2 0 238.335 1.397 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1cccc(CO)c1 ZINC000572832610 326413579 /nfs/dbraw/zinc/41/35/79/326413579.db2.gz NWAHURGXXZLQBN-LBPRGKRZSA-N 2 0 248.370 1.829 20 0 BDADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)[C@@H]1CCOC1 ZINC000166325862 326432226 /nfs/dbraw/zinc/43/22/26/326432226.db2.gz MJLICVXMGGPTHA-SMDDNHRTSA-N 2 0 234.343 1.660 20 0 BDADRP CN(CCC[N@H+](C)C1CCCC1)CC[NH+](C)C ZINC000677221234 488002937 /nfs/dbraw/zinc/00/29/37/488002937.db2.gz ISQBOVQKODFBLJ-UHFFFAOYSA-N 2 0 241.423 1.744 20 0 BDADRP CCCCOCC[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000147486976 488029306 /nfs/dbraw/zinc/02/93/06/488029306.db2.gz UKGVPPQRLZFALZ-OLZOCXBDSA-N 2 0 228.380 1.862 20 0 BDADRP COCCCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000135416070 488035072 /nfs/dbraw/zinc/03/50/72/488035072.db2.gz XCGTXMZQEZCTMS-KGLIPLIRSA-N 2 0 240.391 1.877 20 0 BDADRP C[NH2+][C@@H](C)C(=O)Nc1ccc(C)cc1C[NH+](C)C ZINC000655448850 488036884 /nfs/dbraw/zinc/03/68/84/488036884.db2.gz ZRHSCDPVKKKSEK-NSHDSACASA-N 2 0 249.358 1.603 20 0 BDADRP C[NH2+]Cc1ccccc1NC[C@]12C[C@H]1C[NH2+]C2 ZINC000663494054 488044272 /nfs/dbraw/zinc/04/42/72/488044272.db2.gz LKYJTTIQAVXSHL-GXTWGEPZSA-N 2 0 231.343 1.427 20 0 BDADRP [NH3+]CCN(Cc1ccccc1)C[C@]12C[C@H]1C[NH2+]C2 ZINC000663494478 488044278 /nfs/dbraw/zinc/04/42/78/488044278.db2.gz OSSPIVBJNFSFTC-LSDHHAIUSA-N 2 0 245.370 1.057 20 0 BDADRP CC1(C)CCC[C@@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663497279 488046522 /nfs/dbraw/zinc/04/65/22/488046522.db2.gz CQDLQFPQNXFOHJ-AKJDGMEZSA-N 2 0 208.349 1.907 20 0 BDADRP CCO[C@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000084385373 488049702 /nfs/dbraw/zinc/04/97/02/488049702.db2.gz RWQOCXZRDPEDMP-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP C[NH2+]C[C@H](C)N[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000663515009 488058356 /nfs/dbraw/zinc/05/83/56/488058356.db2.gz XWSKJSJIRFJLJP-QEJZJMRPSA-N 2 0 247.386 1.677 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000037210350 488058524 /nfs/dbraw/zinc/05/85/24/488058524.db2.gz ISRZFQZTJRUEOE-AAEUAGOBSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000037210351 488058640 /nfs/dbraw/zinc/05/86/40/488058640.db2.gz ISRZFQZTJRUEOE-YPMHNXCESA-N 2 0 226.364 1.485 20 0 BDADRP CCCN1CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000389114252 488077366 /nfs/dbraw/zinc/07/73/66/488077366.db2.gz AYZULXPYBUMLNS-STQMWFEESA-N 2 0 227.396 1.578 20 0 BDADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)CC1([NH3+])CCC1 ZINC000236725168 488082919 /nfs/dbraw/zinc/08/29/19/488082919.db2.gz AJTYQWXYOHTLSC-NSHDSACASA-N 2 0 241.379 1.090 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000389253515 488085264 /nfs/dbraw/zinc/08/52/64/488085264.db2.gz NEFRJFHHLQVUGP-MELADBBJSA-N 2 0 239.407 1.591 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(C[NH3+])c1 ZINC000669508422 488109210 /nfs/dbraw/zinc/10/92/10/488109210.db2.gz WMGNESODXITJRY-OLZOCXBDSA-N 2 0 247.342 1.472 20 0 BDADRP CC(C)([NH3+])CNCc1ccc(C[NH3+])cc1F ZINC000650717822 488110751 /nfs/dbraw/zinc/11/07/51/488110751.db2.gz OBIABLPOMZLOKM-UHFFFAOYSA-N 2 0 225.311 1.111 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)CC(C)(C)[NH3+])cc1 ZINC000669512347 488117531 /nfs/dbraw/zinc/11/75/31/488117531.db2.gz GCHATKZEDKPGEB-SECBINFHSA-N 2 0 235.331 1.772 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]1COC ZINC000683140588 488118385 /nfs/dbraw/zinc/11/83/85/488118385.db2.gz AXXIXZVGUSXWFH-ZDUSSCGKSA-N 2 0 228.380 1.829 20 0 BDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)CC(C)(C)[NH3+])cc1 ZINC000669512538 488118506 /nfs/dbraw/zinc/11/85/06/488118506.db2.gz XASPKSIBLNQZLG-SNVBAGLBSA-N 2 0 249.358 1.450 20 0 BDADRP C[NH2+]CCCNCc1cccc(OC)c1F ZINC000397443724 488118907 /nfs/dbraw/zinc/11/89/07/488118907.db2.gz FQJTXSYWONSVLB-UHFFFAOYSA-N 2 0 226.295 1.533 20 0 BDADRP C[NH2+]CCC[N@H+](C)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403271925 488119916 /nfs/dbraw/zinc/11/99/16/488119916.db2.gz KKURHXOGCKMKCO-FRRDWIJNSA-N 2 0 210.365 1.964 20 0 BDADRP CC(C)OC(=O)CC[C@@H](C)N1CCC[C@H]([NH3+])C1 ZINC001172756767 974928655 /nfs/dbraw/zinc/92/86/55/974928655.db2.gz QXUURVFTOHKTNN-NEPJUHHUSA-N 2 0 242.363 1.530 20 0 BDADRP CC(C)C[C@@H]([NH3+])C(=O)Nc1ccc(C[NH3+])cc1 ZINC000669513925 488122115 /nfs/dbraw/zinc/12/21/15/488122115.db2.gz ADZCYYHOSDRQAD-GFCCVEGCSA-N 2 0 235.331 1.457 20 0 BDADRP C[C@@H](CCO)CC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000397618512 488124685 /nfs/dbraw/zinc/12/46/85/488124685.db2.gz FTYSIFRJWTURIY-CHWSQXEVSA-N 2 0 242.407 1.715 20 0 BDADRP [NH3+]CCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000258640542 488125241 /nfs/dbraw/zinc/12/52/41/488125241.db2.gz LSQARFOHYXNLAF-UHFFFAOYSA-N 2 0 239.407 1.533 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000667823483 488130120 /nfs/dbraw/zinc/13/01/20/488130120.db2.gz SIBJOFYVQNVTPB-RTXFEEFZSA-N 2 0 226.364 1.484 20 0 BDADRP C[N@H+](CC[C@@H]1CCCC[NH+]1C)[C@@H]1CCCOC1 ZINC000674301351 487552841 /nfs/dbraw/zinc/55/28/41/487552841.db2.gz ATRFVRKKGGZQGT-UONOGXRCSA-N 2 0 240.391 1.972 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)[C@@H](C)[C@@H]1C ZINC000399627303 487491423 /nfs/dbraw/zinc/49/14/23/487491423.db2.gz VRNWQHNGVQQPJF-YIYPIFLZSA-N 2 0 242.407 1.664 20 0 BDADRP C[C@@H]1CC[C@@H](C)[NH+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662257603 487493683 /nfs/dbraw/zinc/49/36/83/487493683.db2.gz DYNTWWBBJDSQHD-IJLUTSLNSA-N 2 0 224.348 1.380 20 0 BDADRP C[N@H+](CCC1CCCC1)CCN1CC[NH2+]CC1 ZINC000258891232 488141783 /nfs/dbraw/zinc/14/17/83/488141783.db2.gz JHQNPXUIWIUUDK-UHFFFAOYSA-N 2 0 239.407 1.404 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@H](C)C[C@H]1C ZINC000381101007 487497405 /nfs/dbraw/zinc/49/74/05/487497405.db2.gz XVRYJCMNNHOKJT-JHJVBQTASA-N 2 0 228.380 1.418 20 0 BDADRP Cc1csc(CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000086404115 487500842 /nfs/dbraw/zinc/50/08/42/487500842.db2.gz NIQUAPMBFMVWSY-GHMZBOCLSA-N 2 0 239.388 1.854 20 0 BDADRP CCO[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000300146545 487502341 /nfs/dbraw/zinc/50/23/41/487502341.db2.gz XSQFNTZVWFAPIN-MELADBBJSA-N 2 0 240.391 1.875 20 0 BDADRP Cn1ncc2c1CCC[C@@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000094010017 487503393 /nfs/dbraw/zinc/50/33/93/487503393.db2.gz NFKVRZBBBXWOGO-ZDUSSCGKSA-N 2 0 248.374 1.387 20 0 BDADRP C[NH+](C)CCOCC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000304656466 487513666 /nfs/dbraw/zinc/51/36/66/487513666.db2.gz ZDQCQZSIEMXVKZ-XQQFMLRXSA-N 2 0 226.364 1.343 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H]2CC[C@@H](C)O2)C1 ZINC000227081223 487509601 /nfs/dbraw/zinc/50/96/01/487509601.db2.gz TVAHIZMSUVJJAR-WOPDTQHZSA-N 2 0 212.337 1.095 20 0 BDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]([NH3+])CC(C)C ZINC000167193724 488144138 /nfs/dbraw/zinc/14/41/38/488144138.db2.gz YKIDYQWIDLQTBN-VXGBXAGGSA-N 2 0 243.395 1.206 20 0 BDADRP COC1([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)CCC1 ZINC000657877420 488159716 /nfs/dbraw/zinc/15/97/16/488159716.db2.gz RANGWUUOWNDDBW-QWHCGFSZSA-N 2 0 240.391 1.875 20 0 BDADRP CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1cn[nH]c1 ZINC000675497671 487741074 /nfs/dbraw/zinc/74/10/74/487741074.db2.gz HYLBYIHQSYQZHY-ZDUSSCGKSA-N 2 0 236.363 1.716 20 0 BDADRP Cc1cnn(CC[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000385231313 487774627 /nfs/dbraw/zinc/77/46/27/487774627.db2.gz HFVHTNVPJOAHFP-KBPBESRZSA-N 2 0 248.374 1.252 20 0 BDADRP CN(CCC[NH3+])C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000158748614 487974383 /nfs/dbraw/zinc/97/43/83/487974383.db2.gz AUEPRDKSVZRBEI-ZDUSSCGKSA-N 2 0 249.358 1.274 20 0 BDADRP C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401008823 488016033 /nfs/dbraw/zinc/01/60/33/488016033.db2.gz FYEIIOOTMWCDAS-YYHQMBLXSA-N 2 0 240.416 1.858 20 0 BDADRP Cc1c([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cnn1C ZINC000222962707 488138254 /nfs/dbraw/zinc/13/82/54/488138254.db2.gz GGEATQIWEYXZSY-WCQGTBRESA-N 2 0 236.363 1.649 20 0 BDADRP CC(C)C[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000669520460 488141008 /nfs/dbraw/zinc/14/10/08/488141008.db2.gz SCTGRWGEJUSGNE-CYBMUJFWSA-N 2 0 247.342 1.602 20 0 BDADRP CC[C@@H]1C[N@H+](CCc2ccnn2C)CC[C@@H]1[NH3+] ZINC000230745768 488150546 /nfs/dbraw/zinc/15/05/46/488150546.db2.gz GEDBKNTXRHDDKM-YPMHNXCESA-N 2 0 236.363 1.022 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)C1CCC1 ZINC000379951749 488163758 /nfs/dbraw/zinc/16/37/58/488163758.db2.gz FJXPIBRDKFCNME-LBPRGKRZSA-N 2 0 214.353 1.172 20 0 BDADRP CC/C=C\C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400998185 488179593 /nfs/dbraw/zinc/17/95/93/488179593.db2.gz AIFGLNSYUPTUFU-DXELUQJMSA-N 2 0 208.349 1.930 20 0 BDADRP CC(C)[NH+]1CCC(O)(C[NH2+]CC2(C)CC2)CC1 ZINC000683771146 488217547 /nfs/dbraw/zinc/21/75/47/488217547.db2.gz PPKUOPXLRYAECH-UHFFFAOYSA-N 2 0 240.391 1.611 20 0 BDADRP CC[N@H+](C)C[C@@H]1CCN(Cc2cn[nH]c2)C1 ZINC000678285567 488237130 /nfs/dbraw/zinc/23/71/30/488237130.db2.gz NTTMLHAUTDZGAF-NSHDSACASA-N 2 0 222.336 1.183 20 0 BDADRP OC[C@H](CC1CC1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000678604992 488271143 /nfs/dbraw/zinc/27/11/43/488271143.db2.gz BIQNWGTWGALADC-IHRRRGAJSA-N 2 0 238.375 1.364 20 0 BDADRP C[C@H](CCCCO)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000679333329 488340570 /nfs/dbraw/zinc/34/05/70/488340570.db2.gz JMSZZTIIVYFKMP-UONOGXRCSA-N 2 0 242.407 1.859 20 0 BDADRP C[C@@H](CCCCO)[NH2+]CCC1CC[NH+](C)CC1 ZINC000679339788 488341689 /nfs/dbraw/zinc/34/16/89/488341689.db2.gz OPQDUOFYZCFANM-ZDUSSCGKSA-N 2 0 242.407 1.859 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CCCCO)C1 ZINC000679340019 488341821 /nfs/dbraw/zinc/34/18/21/488341821.db2.gz MYYYOBLAOVTHAT-UONOGXRCSA-N 2 0 242.407 1.859 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)O1 ZINC000227079372 490156205 /nfs/dbraw/zinc/15/62/05/490156205.db2.gz SJLGAHGNYGNTEG-IRCOFANPSA-N 2 0 212.337 1.223 20 0 BDADRP CC[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000383723850 490199900 /nfs/dbraw/zinc/19/99/00/490199900.db2.gz YVWFAUSKVNIABO-ZIAGYGMSSA-N 2 0 242.407 1.810 20 0 BDADRP CC(C)C[C@H](CNC(=O)[C@H](C)[NH+](C)C)[NH+](C)C ZINC000078741290 490223967 /nfs/dbraw/zinc/22/39/67/490223967.db2.gz XHVMKKZSRRPSKF-NWDGAFQWSA-N 2 0 243.395 1.029 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC(C)(C)CO)CC[N@@H+]1C ZINC000128103063 490571014 /nfs/dbraw/zinc/57/10/14/490571014.db2.gz DDLJTLGMHUWVTI-GHMZBOCLSA-N 2 0 214.353 1.077 20 0 BDADRP CC[C@H](O)CC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000128322829 490577163 /nfs/dbraw/zinc/57/71/63/490577163.db2.gz RKTMFPXLSAKWFS-AAEUAGOBSA-N 2 0 228.380 1.467 20 0 BDADRP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000387967030 491058595 /nfs/dbraw/zinc/05/85/95/491058595.db2.gz FEGQKIBHYAJQLM-FVCCEPFGSA-N 2 0 210.365 1.962 20 0 BDADRP Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000400944630 491069144 /nfs/dbraw/zinc/06/91/44/491069144.db2.gz AHYLEDSVWYMEHC-QLFBSQMISA-N 2 0 245.370 1.868 20 0 BDADRP C[C@@H](CN[C@@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000223198697 491112924 /nfs/dbraw/zinc/11/29/24/491112924.db2.gz YYFYXFAXAUQNSB-SDDRHHMPSA-N 2 0 213.369 1.009 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+][C@H]1CCN(CC2CC2)C1 ZINC000138437527 491121789 /nfs/dbraw/zinc/12/17/89/491121789.db2.gz FQTKFODWRWHFMZ-OCCSQVGLSA-N 2 0 248.374 1.346 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCO2)CC1(C)C ZINC000084500142 491122025 /nfs/dbraw/zinc/12/20/25/491122025.db2.gz CWIZESWBRKHWBX-RYUDHWBXSA-N 2 0 226.364 1.628 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccncc2)C1 ZINC000086402363 491123839 /nfs/dbraw/zinc/12/38/39/491123839.db2.gz VLRXSHVMRFIHKG-NWDGAFQWSA-N 2 0 205.305 1.441 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccncc2)C1 ZINC000086402365 491123858 /nfs/dbraw/zinc/12/38/58/491123858.db2.gz VLRXSHVMRFIHKG-RYUDHWBXSA-N 2 0 205.305 1.441 20 0 BDADRP C[C@H](NC1CC[NH+](C2CC2)CC1)[C@H]1CCC[NH2+]1 ZINC000400400147 533809575 /nfs/dbraw/zinc/80/95/75/533809575.db2.gz PMUWQTQYVMTWLN-SMDDNHRTSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@H]([NH2+]CCC(C)(C)CO)[C@H]1CCC[NH2+]1 ZINC000400752697 533839837 /nfs/dbraw/zinc/83/98/37/533839837.db2.gz WDEBHTSKPRAJSK-WDEREUQCSA-N 2 0 214.353 1.125 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCC[C@@H]1CCOC1 ZINC000401945487 533844761 /nfs/dbraw/zinc/84/47/61/533844761.db2.gz VURWICOZCKESQH-CHWSQXEVSA-N 2 0 228.380 1.910 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCOC1)[C@H]1CCC[NH2+]1 ZINC000400535458 533868464 /nfs/dbraw/zinc/86/84/64/533868464.db2.gz TUDWYYXZFVCVKT-SDDRHHMPSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC[C@@H]2CCOC2)CC[N@@H+]1C ZINC000400587365 533947641 /nfs/dbraw/zinc/94/76/41/533947641.db2.gz NWUJHAHOJSJWDS-MGPQQGTHSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)CC[C@@H](C)[NH2+]CCOCC[NH+](C)C ZINC000219321458 534914308 /nfs/dbraw/zinc/91/43/08/534914308.db2.gz RRDNLASXTNRPKR-CYBMUJFWSA-N 2 0 230.396 1.979 20 0 BDADRP C1[NH2+]C[C@H]2C[C@H]([NH2+]C3CCSCC3)CC[C@H]12 ZINC000401032347 526424028 /nfs/dbraw/zinc/42/40/28/526424028.db2.gz QCQLVKDUOAUAIE-NQBHXWOUSA-N 2 0 240.416 1.860 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)C1(C)C ZINC000300629839 527834540 /nfs/dbraw/zinc/83/45/40/527834540.db2.gz MCUDFVZLIAMCTA-JHJVBQTASA-N 2 0 240.391 1.922 20 0 BDADRP COC[C@@H](C)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261529092 536522184 /nfs/dbraw/zinc/52/21/84/536522184.db2.gz AHNPPVSHRZWBRZ-LLVKDONJSA-N 2 0 212.337 1.097 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]CCC[NH+](C)C)[C@@H]1SC ZINC000459369412 527938686 /nfs/dbraw/zinc/93/86/86/527938686.db2.gz NUMINPNYUPKMIU-TUAOUCFPSA-N 2 0 246.420 1.437 20 0 BDADRP CC(C)OCCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400358304 527949000 /nfs/dbraw/zinc/94/90/00/527949000.db2.gz CALTYHUDRXIFRG-NWDGAFQWSA-N 2 0 214.353 1.532 20 0 BDADRP CC(C)C[C@H](CN[C@H](C)[C@@H]1CCC[NH2+]1)[NH+](C)C ZINC000400758835 528533345 /nfs/dbraw/zinc/53/33/45/528533345.db2.gz XRFIBLPGOHNZBG-MCIONIFRSA-N 2 0 241.423 1.693 20 0 BDADRP CC(C)[N@@H+](C)C[C@@H](C)N[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400337202 528828501 /nfs/dbraw/zinc/82/85/01/528828501.db2.gz GLBKPGAOWRIHRY-FRRDWIJNSA-N 2 0 227.396 1.445 20 0 BDADRP CC(C)N(C)C[C@@H](C)[NH2+][C@@H](C)CCC[NH3+] ZINC000309026221 528829915 /nfs/dbraw/zinc/82/99/15/528829915.db2.gz YCASTPRJOGUEPJ-NWDGAFQWSA-N 2 0 215.385 1.432 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494540432 528934704 /nfs/dbraw/zinc/93/47/04/528934704.db2.gz CSXBKIQRGWNJRT-NWDGAFQWSA-N 2 0 241.379 1.152 20 0 BDADRP CC[NH+]1CCC(N[C@@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000400712239 528986261 /nfs/dbraw/zinc/98/62/61/528986261.db2.gz MNGNDOCVMJVYEO-AAEUAGOBSA-N 2 0 225.380 1.201 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000253017734 535158598 /nfs/dbraw/zinc/15/85/98/535158598.db2.gz IBIXLGQASCBINE-QJPTWQEYSA-N 2 0 214.353 1.110 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]C[C@@H](C)CCO)CC1 ZINC000085126602 535161381 /nfs/dbraw/zinc/16/13/81/535161381.db2.gz SMRFRDPVSHYPRL-LBPRGKRZSA-N 2 0 228.380 1.467 20 0 BDADRP CC(C)CO[C@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261930148 535211096 /nfs/dbraw/zinc/21/10/96/535211096.db2.gz CRLZKNNIDQRWKA-KBPBESRZSA-N 2 0 240.391 1.733 20 0 BDADRP CCC1(C[NH2+][C@@H]2CCC[NH2+]CC2)CCOCC1 ZINC000261545912 535296459 /nfs/dbraw/zinc/29/64/59/535296459.db2.gz GJNLDDQPTZGVRF-CYBMUJFWSA-N 2 0 240.391 1.925 20 0 BDADRP CCC[NH+](CCC)CCCC(=O)N[C@@H](C)C[NH3+] ZINC000262513884 535324910 /nfs/dbraw/zinc/32/49/10/535324910.db2.gz FMMMFJDMVNAKQI-LBPRGKRZSA-N 2 0 243.395 1.352 20 0 BDADRP CCC[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000262441388 535347324 /nfs/dbraw/zinc/34/73/24/535347324.db2.gz NHXSAEYHHMFSMJ-VXGBXAGGSA-N 2 0 241.379 1.138 20 0 BDADRP CC[C@@H](C)C[N@H+](CC)CCOCC[NH3+] ZINC000086440096 535510593 /nfs/dbraw/zinc/51/05/93/535510593.db2.gz LYHFYUHIOLIMDH-LLVKDONJSA-N 2 0 202.342 1.330 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CC[C@H](C)[NH3+] ZINC000252582920 535544647 /nfs/dbraw/zinc/54/46/47/535544647.db2.gz WNOFEWCRYPRBHQ-NWDGAFQWSA-N 2 0 241.379 1.057 20 0 BDADRP CC[N@@H+]1CCC[C@H]1CN(C)CC(C)(C)[NH3+] ZINC000086189573 535591419 /nfs/dbraw/zinc/59/14/19/535591419.db2.gz YTYXMWQJOCNLSJ-NSHDSACASA-N 2 0 213.369 1.140 20 0 BDADRP CCOCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250420062 535627414 /nfs/dbraw/zinc/62/74/14/535627414.db2.gz ZWYLMAQYPNRQTA-RYUDHWBXSA-N 2 0 212.337 1.239 20 0 BDADRP CCC[C@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000233336809 535654093 /nfs/dbraw/zinc/65/40/93/535654093.db2.gz CUTZDQUDDFRVDX-LBPRGKRZSA-N 2 0 213.369 1.060 20 0 BDADRP CC[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CCS1 ZINC000253075493 535859732 /nfs/dbraw/zinc/85/97/32/535859732.db2.gz QMGOANQNZWKVHO-VXGBXAGGSA-N 2 0 228.405 1.813 20 0 BDADRP CC[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](C[NH3+])C2)CCO1 ZINC000347125394 535897128 /nfs/dbraw/zinc/89/71/28/535897128.db2.gz YFPDQGAISILSDJ-MGPQQGTHSA-N 2 0 240.391 1.862 20 0 BDADRP CC[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](C[NH3+])C2)CCO1 ZINC000347114100 535898462 /nfs/dbraw/zinc/89/84/62/535898462.db2.gz SDCDJROLUDYZCO-FRRDWIJNSA-N 2 0 226.364 1.472 20 0 BDADRP CC[C@H](COC)[NH2+]C1CCC([NH3+])CC1 ZINC000070624374 536121458 /nfs/dbraw/zinc/12/14/58/536121458.db2.gz HYUSZZIXPAPHMK-HSOILSAZSA-N 2 0 200.326 1.271 20 0 BDADRP C[NH+](C)[C@H]1CCCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262000760 536138006 /nfs/dbraw/zinc/13/80/06/536138006.db2.gz LFUXUFSIMCAMKL-UONOGXRCSA-N 2 0 239.407 1.402 20 0 BDADRP C[N@H+](CCC1CCOCC1)C[C@H]1CCC[NH2+]C1 ZINC000258942760 536326642 /nfs/dbraw/zinc/32/66/42/536326642.db2.gz IATAZRYMMFJBQI-AWEZNQCLSA-N 2 0 240.391 1.735 20 0 BDADRP C[N@H+](CCC[NH3+])CCCOCc1ccccc1 ZINC000306854638 536342634 /nfs/dbraw/zinc/34/26/34/536342634.db2.gz VBXURPFXUSVHMU-UHFFFAOYSA-N 2 0 236.359 1.874 20 0 BDADRP CN1CCC([NH2+]C[C@]2(C)CCCS2)CC1 ZINC000087793101 536344012 /nfs/dbraw/zinc/34/40/12/536344012.db2.gz HMJDBQWGFSKKLC-LBPRGKRZSA-N 2 0 228.405 1.956 20 0 BDADRP CN1CCC([NH2+]C[C@]2(C)CCCO2)CC1 ZINC000087234023 536344255 /nfs/dbraw/zinc/34/42/55/536344255.db2.gz YJTOHWRFOVONQB-LBPRGKRZSA-N 2 0 212.337 1.239 20 0 BDADRP CN1CCC([NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000084215964 536345578 /nfs/dbraw/zinc/34/55/78/536345578.db2.gz IAONFDYUWWRLCP-AAEUAGOBSA-N 2 0 225.380 1.188 20 0 BDADRP COc1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)ccc1C ZINC000261766628 536767796 /nfs/dbraw/zinc/76/77/96/536767796.db2.gz DKMOYJONVXRUGQ-CYBMUJFWSA-N 2 0 234.343 1.784 20 0 BDADRP COCCCCC[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000226422416 536872782 /nfs/dbraw/zinc/87/27/82/536872782.db2.gz YJVBPVVAPZAPNA-RYUDHWBXSA-N 2 0 214.353 1.472 20 0 BDADRP COc1ccccc1C[NH2+]C[C@H](C)C[NH3+] ZINC000258844317 537048068 /nfs/dbraw/zinc/04/80/68/537048068.db2.gz WORJAGYKDSTOGK-SNVBAGLBSA-N 2 0 208.305 1.380 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1O)C1CC[NH+](C)CC1 ZINC000051996075 566360964 /nfs/dbraw/zinc/36/09/64/566360964.db2.gz APNAUCCACIYWCS-BNOWGMLFSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCC1SCCS1 ZINC000853022926 588716778 /nfs/dbraw/zinc/71/67/78/588716778.db2.gz HVRWQTITVIBUST-NXEZZACHSA-N 2 0 246.445 1.852 20 0 BDADRP [NH3+]CCOc1ccc(NC[C@]23C[C@H]2C[NH2+]C3)cc1 ZINC000853246694 588728474 /nfs/dbraw/zinc/72/84/74/588728474.db2.gz PUNNLHOKTPUPPP-SMDDNHRTSA-N 2 0 247.342 1.046 20 0 BDADRP Cc1ccc(C[NH2+]CC[C@@H]([NH3+])C(C)C)cn1 ZINC000853247538 588728900 /nfs/dbraw/zinc/72/89/00/588728900.db2.gz SVERGCCPEWPRLD-CYBMUJFWSA-N 2 0 221.348 1.853 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCC1SCCS1 ZINC000854230293 588780960 /nfs/dbraw/zinc/78/09/60/588780960.db2.gz LYNIGMLFQCDGSQ-RKDXNWHRSA-N 2 0 234.434 1.898 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000348100669 582524975 /nfs/dbraw/zinc/52/49/75/582524975.db2.gz HCAKRDNZBCMCPM-ZIAGYGMSSA-N 2 0 240.391 1.733 20 0 BDADRP C[NH+]1CCC(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000892051952 582775018 /nfs/dbraw/zinc/77/50/18/582775018.db2.gz COZXMVMOQUMUND-BETUJISGSA-N 2 0 224.348 1.191 20 0 BDADRP CC(C)[NH2+][C@H]1CCCN(c2cc[nH+]cc2CO)C1 ZINC000892176546 582805343 /nfs/dbraw/zinc/80/53/43/582805343.db2.gz WGYTZUUARVRDTC-ZDUSSCGKSA-N 2 0 249.358 1.541 20 0 BDADRP Cc1ccncc1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000135499789 582806969 /nfs/dbraw/zinc/80/69/69/582806969.db2.gz PGKPKHKJZAVSDI-GFCCVEGCSA-N 2 0 233.359 1.949 20 0 BDADRP OCc1c[nH+]ccc1N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000892678680 582951452 /nfs/dbraw/zinc/95/14/52/582951452.db2.gz DJYOJOAPWGMBDB-CYBMUJFWSA-N 2 0 245.326 1.024 20 0 BDADRP CN1CC[C@H]([NH2+]C[C@H]2C[C@@]2(C)Br)C1 ZINC000892938695 583013023 /nfs/dbraw/zinc/01/30/23/583013023.db2.gz HBSFNWHWBAPPLN-KXUCPTDWSA-N 2 0 247.180 1.454 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@H]2CCc3n[nH]cc3C2)CC1 ZINC000893008125 583029377 /nfs/dbraw/zinc/02/93/77/583029377.db2.gz KOBXECZUNJBRJE-ZDUSSCGKSA-N 2 0 248.374 1.198 20 0 BDADRP C[C@@H]([NH2+]C[C@]1(C)CCOC1)C1CC[NH+](C)CC1 ZINC000397186107 583098280 /nfs/dbraw/zinc/09/82/80/583098280.db2.gz MFVIZKONDOTWCE-OCCSQVGLSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000893668434 583192286 /nfs/dbraw/zinc/19/22/86/583192286.db2.gz FJVUPDOEYQSXKL-QWHCGFSZSA-N 2 0 239.407 1.353 20 0 BDADRP [NH3+]CCCCCCC[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000857087561 588886941 /nfs/dbraw/zinc/88/69/41/588886941.db2.gz UKRQEVATEPUGQP-UONOGXRCSA-N 3 0 239.407 1.709 20 0 BDADRP Cc1cc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cnc1F ZINC000894084619 583295255 /nfs/dbraw/zinc/29/52/55/583295255.db2.gz URIFERMHVHOZCY-BETUJISGSA-N 2 0 249.333 1.523 20 0 BDADRP CO[C@]1(C)CCC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000894136791 583314924 /nfs/dbraw/zinc/31/49/24/583314924.db2.gz SCNMASBRYOYCMZ-CQSZACIVSA-N 2 0 240.391 1.829 20 0 BDADRP [NH3+]Cc1cccc(C(=O)NC2(C[NH3+])CCCC2)c1 ZINC000841848648 583363730 /nfs/dbraw/zinc/36/37/30/583363730.db2.gz OCIRWWRAOMIIOS-UHFFFAOYSA-N 2 0 247.342 1.147 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](CC[C@@H](O)C(C)C)C1 ZINC000878166777 583365205 /nfs/dbraw/zinc/36/52/05/583365205.db2.gz FNJGCUFGWSWBPQ-UONOGXRCSA-N 2 0 242.407 1.667 20 0 BDADRP CC[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)CCCO1 ZINC000894246362 583389785 /nfs/dbraw/zinc/38/97/85/583389785.db2.gz RUGYYXQALSSZJY-CQSZACIVSA-N 2 0 240.391 1.829 20 0 BDADRP Cc1cc(N)nc(NC2CCC([NH+](C)C)CC2)[nH+]1 ZINC000894245450 583389824 /nfs/dbraw/zinc/38/98/24/583389824.db2.gz BEAMSSGACTUCLU-UHFFFAOYSA-N 2 0 249.362 1.652 20 0 BDADRP CO[C@H]1CC[N@H+](CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000894252923 583393095 /nfs/dbraw/zinc/39/30/95/583393095.db2.gz CSQMBZATLOXKPT-OCCSQVGLSA-N 2 0 240.391 1.828 20 0 BDADRP C[C@H]1C[C@H]1C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000894377748 583441979 /nfs/dbraw/zinc/44/19/79/583441979.db2.gz FWZZOIKECRLHAT-KBPBESRZSA-N 2 0 239.407 1.260 20 0 BDADRP CC1(C)C[C@H](C[NH2+]Cc2cnc[nH]2)CCO1 ZINC000894966179 583559718 /nfs/dbraw/zinc/55/97/18/583559718.db2.gz KBXJXWNFDQOXNF-SNVBAGLBSA-N 2 0 223.320 1.705 20 0 BDADRP CC[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C(=O)OC ZINC000895128351 583599821 /nfs/dbraw/zinc/59/98/21/583599821.db2.gz XIQXXIUDIKMWCS-UTUOFQBUSA-N 2 0 242.363 1.258 20 0 BDADRP C[C@H](CC[NH2+][C@H](C)C1CCOCC1)[NH+](C)C ZINC000895292558 583636988 /nfs/dbraw/zinc/63/69/88/583636988.db2.gz GUUONFIFZULHCR-VXGBXAGGSA-N 2 0 228.380 1.731 20 0 BDADRP CC(C)OC1CC([NH2+]CC[C@H](C)[NH+](C)C)C1 ZINC000895294079 583638468 /nfs/dbraw/zinc/63/84/68/583638468.db2.gz OQQDILSONWJXFQ-HIFPTAJRSA-N 2 0 228.380 1.872 20 0 BDADRP COCC1([NH2+]CC2CC[NH+](C)CC2)CCCC1 ZINC000895313027 583648762 /nfs/dbraw/zinc/64/87/62/583648762.db2.gz YCTBMLCIYZDUNG-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@H](CC[NH2+][C@@H]1COC2(CCC2)C1)[NH+](C)C ZINC000895428890 583668679 /nfs/dbraw/zinc/66/86/79/583668679.db2.gz JZYWNWTXIJIYMV-NEPJUHHUSA-N 2 0 226.364 1.628 20 0 BDADRP CN(CC[NH2+]CC1CC[NH+](C)CC1)CC(F)F ZINC000895671248 583706151 /nfs/dbraw/zinc/70/61/51/583706151.db2.gz HFKUVNOOZSPDNC-UHFFFAOYSA-N 2 0 249.349 1.115 20 0 BDADRP C[C@@H]1[C@H](Nc2nccc(N(C)C)n2)CC[N@@H+]1C ZINC000895740214 583714579 /nfs/dbraw/zinc/71/45/79/583714579.db2.gz MKVVPFJSCMBDLQ-NXEZZACHSA-N 2 0 235.335 1.047 20 0 BDADRP CCO[C@H](CNc1cc(C)cc[nH+]1)C[NH+](C)C ZINC000896117355 583772053 /nfs/dbraw/zinc/77/20/53/583772053.db2.gz MIBZPVFAHQJFJU-GFCCVEGCSA-N 2 0 237.347 1.769 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CCN(C)[C@H]1C)CC(C)C ZINC000896554627 583811851 /nfs/dbraw/zinc/81/18/51/583811851.db2.gz KHVMYYHBYGPEJH-RWMBFGLXSA-N 2 0 228.380 1.730 20 0 BDADRP C[C@@H]1[C@@H]([NH2+]CCC[C@H]2CCO2)CCN1C ZINC000896555113 583812254 /nfs/dbraw/zinc/81/22/54/583812254.db2.gz MLEHJOCZJKFYAX-WOPDTQHZSA-N 2 0 212.337 1.238 20 0 BDADRP C[C@@H]1CC[C@H](C[N@H+](C)C2CC[NH2+]CC2)O1 ZINC000232018118 583849291 /nfs/dbraw/zinc/84/92/91/583849291.db2.gz AJZYNOCKPXLSPA-ZYHUDNBSSA-N 2 0 212.337 1.238 20 0 BDADRP C[NH+](C)CC(C)(C)CNc1cc[nH+]c(CO)c1 ZINC000858312102 588944403 /nfs/dbraw/zinc/94/44/03/588944403.db2.gz QEIDCDRVSCLNAG-UHFFFAOYSA-N 2 0 237.347 1.574 20 0 BDADRP CC[C@@H]1CCN(C(=[NH2+])NC[C@@H]2CC[N@H+](C)C2)C1 ZINC000864451301 584005185 /nfs/dbraw/zinc/00/51/85/584005185.db2.gz HCLTYLSZZJYWCC-NEPJUHHUSA-N 2 0 238.379 1.194 20 0 BDADRP C[C@H]1C[C@@H]1NC(=[NH2+])NCC[NH+]1CCCCCC1 ZINC000864453646 584005499 /nfs/dbraw/zinc/00/54/99/584005499.db2.gz YHUWYSPFLGHKCW-RYUDHWBXSA-N 2 0 238.379 1.385 20 0 BDADRP CC[NH+]1CCC(CNc2cc[nH+]c(CO)c2)CC1 ZINC000858361750 588948632 /nfs/dbraw/zinc/94/86/32/588948632.db2.gz ASFIYMTUKOMCHX-UHFFFAOYSA-N 2 0 249.358 1.718 20 0 BDADRP C[C@H]1CC[N@H+](CCNC(=[NH2+])NCCC2CC2)C1 ZINC000864456202 584006099 /nfs/dbraw/zinc/00/60/99/584006099.db2.gz DOFFKIQPMPTMAH-NSHDSACASA-N 2 0 238.379 1.242 20 0 BDADRP C[N@H+](CCNc1cc[nH+]c(CO)c1)C1CC1 ZINC000858363167 588948937 /nfs/dbraw/zinc/94/89/37/588948937.db2.gz QEXBIXJKQGGBSL-UHFFFAOYSA-N 2 0 221.304 1.080 20 0 BDADRP CC[N@H+](CCNc1cc[nH+]c(CO)c1)C(C)C ZINC000858384516 588950029 /nfs/dbraw/zinc/95/00/29/588950029.db2.gz BBUZNKWAKPVDHY-UHFFFAOYSA-N 2 0 237.347 1.716 20 0 BDADRP CC(C)[N@H+](C)CCNc1cc[nH+]c(CO)c1 ZINC000858384114 588950137 /nfs/dbraw/zinc/95/01/37/588950137.db2.gz FFCPLULSIPNAHO-UHFFFAOYSA-N 2 0 223.320 1.326 20 0 BDADRP C[NH+]1CCC(CNc2cc[nH+]c(CO)c2)CC1 ZINC000858381050 588950249 /nfs/dbraw/zinc/95/02/49/588950249.db2.gz APTFSNFBOUFDPX-UHFFFAOYSA-N 2 0 235.331 1.328 20 0 BDADRP C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(CCO)cc1 ZINC000898171368 584089201 /nfs/dbraw/zinc/08/92/01/584089201.db2.gz WQMHEEJOHWLMED-IUODEOHRSA-N 2 0 248.370 1.261 20 0 BDADRP CC[NH+]1CCC([NH2+]CC[C@H](O)C2CC2)CC1 ZINC000898204272 584090880 /nfs/dbraw/zinc/09/08/80/584090880.db2.gz RAIOHFNCWFFINF-ZDUSSCGKSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC[C@@H](O)C2CC2)CC[N@@H+]1C ZINC000898200279 584099512 /nfs/dbraw/zinc/09/95/12/584099512.db2.gz VOFOYVRPXZQXPU-RAIGVLPGSA-N 2 0 226.364 1.220 20 0 BDADRP C[C@H]1OCC[C@@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873262533 584128797 /nfs/dbraw/zinc/12/87/97/584128797.db2.gz ACKJZWRKWHCDAC-LBELIVKGSA-N 2 0 224.348 1.284 20 0 BDADRP C[C@H]([NH2+]CCC[C@H]1CCOC1=O)[C@@H]1CCC[NH2+]1 ZINC000873283633 584129074 /nfs/dbraw/zinc/12/90/74/584129074.db2.gz YLWUOYGWBUNJFI-SRVKXCTJSA-N 2 0 240.347 1.060 20 0 BDADRP OCc1cc(NCC[N@H+]2CC=CCC2)cc[nH+]1 ZINC000858523673 588962888 /nfs/dbraw/zinc/96/28/88/588962888.db2.gz SUUXFHFJUQRKTJ-UHFFFAOYSA-N 2 0 233.315 1.248 20 0 BDADRP CC[N@@H+]1CC[C@H](CNC(=[NH2+])N[C@H](C)C2CC2)C1 ZINC000899266369 584189693 /nfs/dbraw/zinc/18/96/93/584189693.db2.gz SLADHOODEUWXTK-GHMZBOCLSA-N 2 0 238.379 1.241 20 0 BDADRP C[C@@H](NC(=[NH2+])NC[C@H](C)[NH+]1CCCC1)C1CC1 ZINC000899266753 584190003 /nfs/dbraw/zinc/19/00/03/584190003.db2.gz XDVYWGKVPNWTIT-WDEREUQCSA-N 2 0 238.379 1.383 20 0 BDADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H](C)C1CC1 ZINC000899263758 584190906 /nfs/dbraw/zinc/19/09/06/584190906.db2.gz MWUDEOBIUMCXKL-PWSUYJOCSA-N 2 0 238.379 1.383 20 0 BDADRP c1nn(CC2CC[NH2+]CC2)cc1C1=CCC[NH2+]C1 ZINC000899323258 584196826 /nfs/dbraw/zinc/19/68/26/584196826.db2.gz DPEZFEBDPSIKTP-UHFFFAOYSA-N 2 0 246.358 1.259 20 0 BDADRP [NH3+][C@H]1CCc2cc(C=C3C[NH2+]C3)ccc2C1 ZINC000899327807 584197723 /nfs/dbraw/zinc/19/77/23/584197723.db2.gz HSTOLWSVHAXITK-AWEZNQCLSA-N 2 0 214.312 1.489 20 0 BDADRP C[C@@H](CNc1cc[nH+]c(CO)c1)C[NH+](C)C ZINC000858553685 588965205 /nfs/dbraw/zinc/96/52/05/588965205.db2.gz VNOFTMDKDLXZKS-JTQLQIEISA-N 2 0 223.320 1.184 20 0 BDADRP [NH3+][C@@H]1CCCC[C@@H]1c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000900010374 584265290 /nfs/dbraw/zinc/26/52/90/584265290.db2.gz QPTMOHZGEXTWRA-AEJSXWLSSA-N 2 0 236.319 1.479 20 0 BDADRP CC(C)(C[NH3+])Cc1nc([C@H]2CCC[NH2+]2)no1 ZINC000900009774 584265319 /nfs/dbraw/zinc/26/53/19/584265319.db2.gz KAXQAYDPPCCXOI-MRVPVSSYSA-N 2 0 224.308 1.022 20 0 BDADRP C[C@H](CCNc1cc[nH+]c(CO)c1)[NH+](C)C ZINC000858625523 588971777 /nfs/dbraw/zinc/97/17/77/588971777.db2.gz VAOSWLMAYNQKJR-SNVBAGLBSA-N 2 0 223.320 1.326 20 0 BDADRP COCC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902316146 584555679 /nfs/dbraw/zinc/55/56/79/584555679.db2.gz FBYHEMSQAZLKNL-JTQLQIEISA-N 2 0 200.326 1.001 20 0 BDADRP C[N@@H+]1CCC[C@H]1CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902346426 584558214 /nfs/dbraw/zinc/55/82/14/584558214.db2.gz LUBDOMOVEWUYMP-STQMWFEESA-N 2 0 239.407 1.448 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CC2(CO)CCC2)C1 ZINC000902374222 584567246 /nfs/dbraw/zinc/56/72/46/584567246.db2.gz KKWWOJCDFXRQOF-GFCCVEGCSA-N 2 0 240.391 1.517 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H]2CC[C@H](O)C2)C1 ZINC000902378159 584568479 /nfs/dbraw/zinc/56/84/79/584568479.db2.gz UOFKJXVPOPERIE-AGIUHOORSA-N 2 0 240.391 1.515 20 0 BDADRP [NH3+]C1(CN[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000902409192 584575486 /nfs/dbraw/zinc/57/54/86/584575486.db2.gz IZBFFYGNYLIPNG-CHWSQXEVSA-N 2 0 237.391 1.236 20 0 BDADRP CC(C)[C@H]1C[C@H]([NH2+]CC2([NH3+])CC2)CCO1 ZINC000902412537 584576244 /nfs/dbraw/zinc/57/62/44/584576244.db2.gz CRLSCDTVPOABTR-GHMZBOCLSA-N 2 0 212.337 1.271 20 0 BDADRP CC(C)[C@@H](CO)C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902384507 584577593 /nfs/dbraw/zinc/57/75/93/584577593.db2.gz LQCSRMWVXSXQSN-CHWSQXEVSA-N 2 0 242.407 1.619 20 0 BDADRP C[C@@H](CC(C)(C)O)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902388254 584579782 /nfs/dbraw/zinc/57/97/82/584579782.db2.gz NASWRSQGCQUSOS-RYUDHWBXSA-N 2 0 242.407 1.904 20 0 BDADRP CC1(C)C[NH2+]CC[C@H](NC[C@H]2CCC[NH2+]2)C1 ZINC000902390405 584580970 /nfs/dbraw/zinc/58/09/70/584580970.db2.gz LSCKFSTYZJPOCJ-NWDGAFQWSA-N 2 0 225.380 1.106 20 0 BDADRP CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902391721 584582643 /nfs/dbraw/zinc/58/26/43/584582643.db2.gz ZJICHMVCAMQYEG-UPJWGTAASA-N 2 0 240.391 1.922 20 0 BDADRP CCC[C@@H](O)CC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902404053 584589104 /nfs/dbraw/zinc/58/91/04/584589104.db2.gz ISPPLPSYMQRLJV-CHWSQXEVSA-N 2 0 242.407 1.905 20 0 BDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCON ZINC000902415785 584589780 /nfs/dbraw/zinc/58/97/80/584589780.db2.gz QZFDDIVQTZPLKH-VXGBXAGGSA-N 2 0 229.368 1.167 20 0 BDADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCC1([NH3+])CC1 ZINC000902405553 584589901 /nfs/dbraw/zinc/58/99/01/584589901.db2.gz ITMMYYMLIPCJJR-WCQYABFASA-N 2 0 233.359 1.026 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)[C@@H]1CCC[NH2+]1 ZINC000902429705 584594870 /nfs/dbraw/zinc/59/48/70/584594870.db2.gz NIIUIRRMJCXAPN-RFGFWPKPSA-N 2 0 240.391 1.658 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000902444503 584598944 /nfs/dbraw/zinc/59/89/44/584598944.db2.gz IEWDUYVNOMENOQ-OLSMOAAXSA-N 2 0 226.389 1.882 20 0 BDADRP CC1(C)C[NH2+]C[C@@H]1N[C@H]1CCCCC[C@@H]1[NH3+] ZINC000902444778 584598960 /nfs/dbraw/zinc/59/89/60/584598960.db2.gz OTBHRVZPVSFIMR-SRVKXCTJSA-N 2 0 225.380 1.234 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000902452531 584607561 /nfs/dbraw/zinc/60/75/61/584607561.db2.gz KSZRYSCQLFHGSX-IKCGXLOGSA-N 2 0 222.332 1.022 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc2nonc2c1 ZINC000902458092 584610131 /nfs/dbraw/zinc/61/01/31/584610131.db2.gz STZFOONBWFTAFH-GHMZBOCLSA-N 2 0 246.314 1.440 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H]21)[C@H]1CCC[NH2+]1 ZINC000902456445 584610206 /nfs/dbraw/zinc/61/02/06/584610206.db2.gz OZEDXLKNYFJKSH-OBPIAQAESA-N 2 0 208.349 1.905 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@@H]2CCC[C@H]12)[C@H]1CCC[NH2+]1 ZINC000902456439 584610319 /nfs/dbraw/zinc/61/03/19/584610319.db2.gz OZEDXLKNYFJKSH-JZRPKSSGSA-N 2 0 208.349 1.905 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@H]21 ZINC000902456804 584610346 /nfs/dbraw/zinc/61/03/46/584610346.db2.gz PPTAVEVIUQPNJB-ZSOGLFGHSA-N 2 0 238.375 1.517 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC000902464229 584612224 /nfs/dbraw/zinc/61/22/24/584612224.db2.gz BAPVFOIQWVFAOJ-FPYNETTCSA-N 2 0 237.391 1.375 20 0 BDADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000902490105 584617484 /nfs/dbraw/zinc/61/74/84/584617484.db2.gz SDZMIULOZYXGBP-MHWZDGSBSA-N 3 0 231.343 1.458 20 0 BDADRP CC[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cnn(C)c1 ZINC000902490872 584617946 /nfs/dbraw/zinc/61/79/46/584617946.db2.gz VQSQOUYXQDCBKW-YUSALJHKSA-N 2 0 222.336 1.198 20 0 BDADRP Cn1ccnc1[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)C1CC1 ZINC000902491797 584618196 /nfs/dbraw/zinc/61/81/96/584618196.db2.gz ZWTQDVDOLQAFDJ-DLOVCJGASA-N 2 0 234.347 1.198 20 0 BDADRP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)C1CC[NH+](C)CC1 ZINC000902490709 584618242 /nfs/dbraw/zinc/61/82/42/584618242.db2.gz SMSPIPQOPPUHDK-GVXVVHGQSA-N 3 0 225.380 1.044 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@@H]1CCCCC[NH2+]1 ZINC000902482490 584624274 /nfs/dbraw/zinc/62/42/74/584624274.db2.gz LZUSOGRBJMZTKY-AGIUHOORSA-N 2 0 225.380 1.058 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1NC[C@H]1CCCCC[NH2+]1 ZINC000902484651 584624878 /nfs/dbraw/zinc/62/48/78/584624878.db2.gz XBSLUGYEPQKMHX-YNEHKIRRSA-N 2 0 225.380 1.236 20 0 BDADRP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cc2n(n1)CCC2 ZINC000902487689 584626572 /nfs/dbraw/zinc/62/65/72/584626572.db2.gz LWKCCFZXKVDCAE-GMTAPVOTSA-N 2 0 234.347 1.217 20 0 BDADRP Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)o1 ZINC000902488461 584626845 /nfs/dbraw/zinc/62/68/45/584626845.db2.gz MTRGWEOPTNOIEE-DCAQKATOSA-N 2 0 208.305 1.976 20 0 BDADRP [NH3+]CCC[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccccc1 ZINC000902489499 584627214 /nfs/dbraw/zinc/62/72/14/584627214.db2.gz QJHOVZXMADVBNE-BPLDGKMQSA-N 3 0 247.386 1.794 20 0 BDADRP CO[C@H]1CCC[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C1 ZINC000902488499 584627363 /nfs/dbraw/zinc/62/73/63/584627363.db2.gz YTEBXGVVSKSJJQ-BJDJZHNGSA-N 2 0 212.337 1.271 20 0 BDADRP COc1ccc(C[C@@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)cn1 ZINC000902489531 584627487 /nfs/dbraw/zinc/62/74/87/584627487.db2.gz QWZNIDLFAWBMKX-RAIGVLPGSA-N 2 0 249.358 1.348 20 0 BDADRP Cc1ncccc1CC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000902514151 584629352 /nfs/dbraw/zinc/62/93/52/584629352.db2.gz RAALDYZRISFGJE-WFASDCNBSA-N 2 0 247.386 1.910 20 0 BDADRP COC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903055756 584722018 /nfs/dbraw/zinc/72/20/18/584722018.db2.gz LFIQXPIJZWTYQX-WDFAYWTNSA-N 2 0 238.375 1.769 20 0 BDADRP COC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903055755 584722172 /nfs/dbraw/zinc/72/21/72/584722172.db2.gz LFIQXPIJZWTYQX-CRMUJIHISA-N 2 0 238.375 1.769 20 0 BDADRP CO[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000903183781 584733660 /nfs/dbraw/zinc/73/36/60/584733660.db2.gz QOAUOQAZJBSUDK-UONOGXRCSA-N 2 0 245.326 1.991 20 0 BDADRP CN1CC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000903316721 584749870 /nfs/dbraw/zinc/74/98/70/584749870.db2.gz QNMNUVMJQCSPDP-VXGBXAGGSA-N 2 0 225.380 1.153 20 0 BDADRP CO[C@@H]1CCC[C@@H]1[NH2+]CCN1CCC(C)(C)C1 ZINC000903346037 584753240 /nfs/dbraw/zinc/75/32/40/584753240.db2.gz ZTYAQKCCOSNXHS-QWHCGFSZSA-N 2 0 240.391 1.875 20 0 BDADRP CC[N@H+](C[C@H]1CCOC1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903431514 584762037 /nfs/dbraw/zinc/76/20/37/584762037.db2.gz XTDHYFBSFDUQBG-UPJWGTAASA-N 2 0 226.364 1.472 20 0 BDADRP CC[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C[C@@H]1CCOC1 ZINC000903431513 584762408 /nfs/dbraw/zinc/76/24/08/584762408.db2.gz XTDHYFBSFDUQBG-AGIUHOORSA-N 2 0 226.364 1.472 20 0 BDADRP C([C@H]1CCC[NH2+]1)N1CCCC2(CCOCC2)C1 ZINC000903440187 584763010 /nfs/dbraw/zinc/76/30/10/584763010.db2.gz VNYHMHAYNXTYQC-CYBMUJFWSA-N 2 0 238.375 1.631 20 0 BDADRP CC[NH2+]CC1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000903424731 584764829 /nfs/dbraw/zinc/76/48/29/584764829.db2.gz DHNYJZTWRAOLLV-CYBMUJFWSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@H]1CC2(C[N@@H+]1CCOC1CC1)CC[NH2+]CC2 ZINC000903459377 584765699 /nfs/dbraw/zinc/76/56/99/584765699.db2.gz HWZWXUKLGVMOQS-LBPRGKRZSA-N 2 0 238.375 1.629 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@@H](c3cccnc3)C2)C1 ZINC000903460782 584766637 /nfs/dbraw/zinc/76/66/37/584766637.db2.gz HZWLLGBIGHNDPJ-NWANDNLSSA-N 2 0 245.370 1.998 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000903461210 584766641 /nfs/dbraw/zinc/76/66/41/584766641.db2.gz PJQVSGYPANJBFV-RFQIPJPRSA-N 3 0 239.407 1.291 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)C1 ZINC000903442266 584767201 /nfs/dbraw/zinc/76/72/01/584767201.db2.gz MZAJTRRJQIARMH-YNEHKIRRSA-N 2 0 248.374 1.717 20 0 BDADRP C([C@H]1CCC[NH2+]1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000903444217 584769508 /nfs/dbraw/zinc/76/95/08/584769508.db2.gz QADUZEWKTZQEPL-UONOGXRCSA-N 2 0 237.391 1.156 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000903453719 584773017 /nfs/dbraw/zinc/77/30/17/584773017.db2.gz JRQYZUMSUZHEPW-BFHYXJOUSA-N 3 0 237.391 1.189 20 0 BDADRP [NH3+][C@@H]1CC[C@H](CN2CCC[C@H]3C[NH2+]CC[C@H]32)C1 ZINC000903475715 584776793 /nfs/dbraw/zinc/77/67/93/584776793.db2.gz BBJSBWMCBYBGMH-IGQOVBAYSA-N 2 0 237.391 1.188 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000903476311 584777394 /nfs/dbraw/zinc/77/73/94/584777394.db2.gz UGXJDEFBVZWLFG-NDBYEHHHSA-N 2 0 240.416 1.527 20 0 BDADRP C[N@H+](CCCCCC[NH3+])C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903482857 584778600 /nfs/dbraw/zinc/77/86/00/584778600.db2.gz WDPHZNIVQWTXIA-OLZOCXBDSA-N 3 0 227.396 1.565 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000903482182 584778879 /nfs/dbraw/zinc/77/88/79/584778879.db2.gz YWZCJLYQKJDMLM-RFGFWPKPSA-N 2 0 238.375 1.343 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)C1 ZINC000903481912 584779051 /nfs/dbraw/zinc/77/90/51/584779051.db2.gz QBCYSFAEBUYJEM-REWJHTLYSA-N 2 0 238.375 1.615 20 0 BDADRP CC1(C)C[N@H+](CCC2CC[NH2+]CC2)C[C@H]1N ZINC000903557933 584782737 /nfs/dbraw/zinc/78/27/37/584782737.db2.gz IEUNUDNOFFPUMZ-GFCCVEGCSA-N 2 0 225.380 1.045 20 0 BDADRP CC1(C)C[N@H+](CCCCCC[NH3+])C[C@H]1N ZINC000903556625 584782905 /nfs/dbraw/zinc/78/29/05/584782905.db2.gz BXVXDJSQCOSIFA-LLVKDONJSA-N 2 0 213.369 1.175 20 0 BDADRP CC1(C)CN(Cc2ccc3c(c2)COC3)C[C@H]1[NH3+] ZINC000903557482 584783062 /nfs/dbraw/zinc/78/30/62/584783062.db2.gz OIPYZYLZXOLUTL-CQSZACIVSA-N 2 0 246.354 1.886 20 0 BDADRP CC1CC(C[NH+]2CCC(OCCC[NH3+])CC2)C1 ZINC000903717177 584792241 /nfs/dbraw/zinc/79/22/41/584792241.db2.gz JDGXCAIGAMQKTE-UHFFFAOYSA-N 2 0 240.391 1.862 20 0 BDADRP CC[NH+](CC)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717144 584792328 /nfs/dbraw/zinc/79/23/28/584792328.db2.gz HPTJQSGVWFZOTE-LBPRGKRZSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)[C@@H]1C ZINC000903731613 584793009 /nfs/dbraw/zinc/79/30/09/584793009.db2.gz BVSZPPKKSLJLMW-MQYQWHSLSA-N 2 0 238.375 1.485 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCCCN1C[C@@H]1CCCC[NH2+]C1 ZINC000903713321 584793888 /nfs/dbraw/zinc/79/38/88/584793888.db2.gz MRVXLEXWRIBTMM-MJBXVCDLSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@]1(C[NH3+])CCN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000903745868 584794378 /nfs/dbraw/zinc/79/43/78/584794378.db2.gz AQYNJHKUJDBVHV-QWHCGFSZSA-N 2 0 225.380 1.047 20 0 BDADRP C[C@@H]1[C@H](C)[NH2+]CCN1C[C@@H]1CCCC[NH2+]C1 ZINC000903747985 584794813 /nfs/dbraw/zinc/79/48/13/584794813.db2.gz XSDDJWKMUFPILL-YNEHKIRRSA-N 2 0 225.380 1.058 20 0 BDADRP CN(C[C@@H]1CCCC[NH2+]C1)C1(C[NH3+])CCC1 ZINC000903749370 584795058 /nfs/dbraw/zinc/79/50/58/584795058.db2.gz JRLIUHJPBOLRDJ-GFCCVEGCSA-N 2 0 225.380 1.189 20 0 BDADRP C[C@@H]1[NH2+]CCN(C[C@@H]2CCCC[NH2+]C2)[C@H]1C ZINC000903747979 584795140 /nfs/dbraw/zinc/79/51/40/584795140.db2.gz XSDDJWKMUFPILL-RWMBFGLXSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC[C@@H]1CCCC[NH2+]C1 ZINC000903751619 584795698 /nfs/dbraw/zinc/79/56/98/584795698.db2.gz HQHSZIMISZZWRT-AAVRWANBSA-N 2 0 239.407 1.352 20 0 BDADRP C([C@H]1CCCC[NH2+]C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000903753004 584795956 /nfs/dbraw/zinc/79/59/56/584795956.db2.gz XUVUMMMDEVPLOM-MELADBBJSA-N 2 0 237.391 1.202 20 0 BDADRP C[N@@H+](CC1=CCSC1)C[C@@H]1CCCC[NH2+]C1 ZINC000903765721 584797190 /nfs/dbraw/zinc/79/71/90/584797190.db2.gz KMLUICOVDIRLNR-GFCCVEGCSA-N 2 0 240.416 1.981 20 0 BDADRP CC1CC(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)C1 ZINC000903770033 584797840 /nfs/dbraw/zinc/79/78/40/584797840.db2.gz RRJMMMIREFHQDN-TYUFSLCMSA-N 2 0 208.349 1.846 20 0 BDADRP CC1CC(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)C1 ZINC000903770031 584798035 /nfs/dbraw/zinc/79/80/35/584798035.db2.gz RRJMMMIREFHQDN-TUUUFIMRSA-N 2 0 208.349 1.846 20 0 BDADRP [NH3+][C@]12CCC[C@H]1CN(C[C@@H]1CCCC[NH2+]C1)C2 ZINC000903770341 584798046 /nfs/dbraw/zinc/79/80/46/584798046.db2.gz XAFJOWMIZWOGPO-RDBSUJKOSA-N 2 0 237.391 1.189 20 0 BDADRP CN(C[C@@H]1CCCC[NH2+]C1)CC(C)(C)[NH3+] ZINC000903768756 584798308 /nfs/dbraw/zinc/79/83/08/584798308.db2.gz QERRYYBCOQDSLE-LLVKDONJSA-N 2 0 213.369 1.045 20 0 BDADRP C[N@H+](CCCCCC[NH3+])C[C@@H]1CCCC[NH2+]C1 ZINC000903780002 584799766 /nfs/dbraw/zinc/79/97/66/584799766.db2.gz CJXXYHMERVIOJJ-CQSZACIVSA-N 3 0 241.423 1.827 20 0 BDADRP FC1CC[NH+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903783430 584800416 /nfs/dbraw/zinc/80/04/16/584800416.db2.gz YRUONBREWIOLHL-OLZOCXBDSA-N 2 0 242.338 1.189 20 0 BDADRP CC[C@@H](C)C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903815670 584801075 /nfs/dbraw/zinc/80/10/75/584801075.db2.gz ONAZAEIVYLCDAR-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@H](O)C[N@@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903810328 584803307 /nfs/dbraw/zinc/80/33/07/584803307.db2.gz BAJHZAIDODHXOU-RYUDHWBXSA-N 2 0 226.364 1.351 20 0 BDADRP C([C@@H]1CC[NH2+]C1)[N@@H+]1CCCSC[C@@H]1C1CC1 ZINC000903825960 584804587 /nfs/dbraw/zinc/80/45/87/584804587.db2.gz GFRCQFQMPJOGHP-DGCLKSJQSA-N 2 0 240.416 1.813 20 0 BDADRP Cc1cccc(C)c1C[N@@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000903827902 584804916 /nfs/dbraw/zinc/80/49/16/584804916.db2.gz ZIYKRHSTVXFWFX-QEJZJMRPSA-N 2 0 248.370 1.586 20 0 BDADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@H]1C[C@@]13CCOC3)C2 ZINC000903838266 584806862 /nfs/dbraw/zinc/80/68/62/584806862.db2.gz AWPCUMPWGGZNDB-MQLXINIDSA-N 2 0 236.359 1.225 20 0 BDADRP NC[C@]12CC[C@H]1CC[N@@H+]2CC1CC=CC1 ZINC000903856621 584808567 /nfs/dbraw/zinc/80/85/67/584808567.db2.gz AOJBSSJUPWXYKE-QWHCGFSZSA-N 2 0 206.333 1.766 20 0 BDADRP CC(C)OCCC[N@@H+]1CC[C@@H]2CC[C@@]21CN ZINC000903855582 584809595 /nfs/dbraw/zinc/80/95/95/584809595.db2.gz NOOUTOZYILMYCK-QWHCGFSZSA-N 2 0 226.364 1.615 20 0 BDADRP Cc1cc(CN2CC[C@@H]3CC[C@]32C[NH3+])c(C)nn1 ZINC000903862630 584813385 /nfs/dbraw/zinc/81/33/85/584813385.db2.gz AXMJBNNUANQZAI-KBPBESRZSA-N 2 0 246.358 1.407 20 0 BDADRP OC[C@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903874146 584815757 /nfs/dbraw/zinc/81/57/57/584815757.db2.gz TWWVFPPSTXISCS-FUDCBSFHSA-N 2 0 238.375 1.221 20 0 BDADRP [NH3+][C@H](CC(F)F)CN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000903873875 584816034 /nfs/dbraw/zinc/81/60/34/584816034.db2.gz MYVSNDHQUDZAFF-ZRUFSTJUSA-N 2 0 247.333 1.028 20 0 BDADRP CN(C[C@H]([NH3+])CC(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903874311 584816110 /nfs/dbraw/zinc/81/61/10/584816110.db2.gz XTVSMMOULBWJEA-NFLHVTIKSA-N 2 0 247.333 1.184 20 0 BDADRP CCC[N@H+](C)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903879765 584817248 /nfs/dbraw/zinc/81/72/48/584817248.db2.gz JFMNXFMBPQVDSR-LBPRGKRZSA-N 2 0 238.379 1.188 20 0 BDADRP C[C@@]1(C2CC2)COCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000903881617 584817774 /nfs/dbraw/zinc/81/77/74/584817774.db2.gz HWFLEHIOVUJSLV-JSGCOSHPSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCOC[C@]1(C)C1CC1 ZINC000903882622 584818317 /nfs/dbraw/zinc/81/83/17/584818317.db2.gz QJKFHDGBOFRIGE-MBNYWOFBSA-N 2 0 238.375 1.343 20 0 BDADRP C[C@H](O)CC[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903895845 584819411 /nfs/dbraw/zinc/81/94/11/584819411.db2.gz QQOYONIGPMOBQR-WODVXLOZSA-N 2 0 226.364 1.220 20 0 BDADRP C[NH+](C)[C@H]1CCCN(C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903909676 584821818 /nfs/dbraw/zinc/82/18/18/584821818.db2.gz WSKUYHHBFLDQCE-QWRGUYRKSA-N 2 0 249.349 1.385 20 0 BDADRP CC[N@@H+]1C[C@H](C)N(C[C@H]([NH3+])CC(F)F)C[C@H]1C ZINC000903909988 584821918 /nfs/dbraw/zinc/82/19/18/584821918.db2.gz ZCDFNKQKWSMOEY-OUAUKWLOSA-N 2 0 249.349 1.383 20 0 BDADRP C[C@H]1C[C@H](C[NH2+]CCC(C)(C)[NH3+])CC[NH2+]1 ZINC000903939515 584822646 /nfs/dbraw/zinc/82/26/46/584822646.db2.gz IBEMINULQSPKGY-WDEREUQCSA-N 3 0 213.369 1.092 20 0 BDADRP [NH3+]C[C@@H](NC[C@@H]([NH3+])CC(F)F)C1CCCC1 ZINC000903919067 584822878 /nfs/dbraw/zinc/82/28/78/584822878.db2.gz LEDMQGCSYQSFJF-VHSXEESVSA-N 2 0 235.322 1.076 20 0 BDADRP C([NH2+][C@H]1CCC[NH2+]CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903920991 584823087 /nfs/dbraw/zinc/82/30/87/584823087.db2.gz ZJANAXWTHLHSCX-PBNFFQIGSA-N 3 0 237.391 1.249 20 0 BDADRP C[C@@H]1CCNC[C@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903919890 584823107 /nfs/dbraw/zinc/82/31/07/584823107.db2.gz QBXIYMFCFOCSGF-RKFYDKJMSA-N 2 0 237.391 1.105 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903918760 584823170 /nfs/dbraw/zinc/82/31/70/584823170.db2.gz HEUSOYQSSNRJDB-HTGUOZFMSA-N 3 0 237.391 1.377 20 0 BDADRP [NH3+][C@H](CNCc1cccc2c1CC[NH2+]C2)C1CC1 ZINC000903918975 584823301 /nfs/dbraw/zinc/82/33/01/584823301.db2.gz JWYPDHYRMSGHCP-OAHLLOKOSA-N 2 0 245.370 1.159 20 0 BDADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903919326 584823422 /nfs/dbraw/zinc/82/34/22/584823422.db2.gz MCJUBLHRIKDDNC-KZWUZSNJSA-N 3 0 237.391 1.234 20 0 BDADRP CC(C)([NH3+])CC[NH2+]Cc1cccc2c1NCC2 ZINC000903939195 584823439 /nfs/dbraw/zinc/82/34/39/584823439.db2.gz UWTBXDZDEHFFTI-UHFFFAOYSA-N 2 0 233.359 1.872 20 0 BDADRP CN(C)c1ccccc1C[NH2+]CCC(C)(C)[NH3+] ZINC000903939373 584823916 /nfs/dbraw/zinc/82/39/16/584823916.db2.gz YLSQEPKBRRFERX-UHFFFAOYSA-N 2 0 235.375 1.970 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)O1 ZINC000903936033 584825648 /nfs/dbraw/zinc/82/56/48/584825648.db2.gz XHJZQUQHVCGBDN-CCJXIVEXSA-N 2 0 238.375 1.673 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)O1 ZINC000903936035 584825651 /nfs/dbraw/zinc/82/56/51/584825651.db2.gz XHJZQUQHVCGBDN-NCXFDQOBSA-N 2 0 238.375 1.673 20 0 BDADRP C[NH2+]Cc1ccccc1NC[C@@H]([NH3+])CC(F)F ZINC000903918235 584827018 /nfs/dbraw/zinc/82/70/18/584827018.db2.gz VNMSXFSLGBSREC-JTQLQIEISA-N 2 0 243.301 1.800 20 0 BDADRP CC(C)[C@H]1C[C@H]([NH2+]CCC(C)(C)[NH3+])CCO1 ZINC000903938715 584827148 /nfs/dbraw/zinc/82/71/48/584827148.db2.gz IBBKDROAULCRSO-VXGBXAGGSA-N 2 0 228.380 1.907 20 0 BDADRP CC(C)([NH3+])CN1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903959693 584827713 /nfs/dbraw/zinc/82/77/13/584827713.db2.gz MLONMNJMPAHJDS-CYBMUJFWSA-N 2 0 225.380 1.189 20 0 BDADRP CCC1([NH3+])CCN([C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000903948532 584829840 /nfs/dbraw/zinc/82/98/40/584829840.db2.gz QDEYKXIZFKUMOS-NEPJUHHUSA-N 2 0 225.380 1.460 20 0 BDADRP CCC1([NH3+])CC[NH+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000903947998 584830133 /nfs/dbraw/zinc/83/01/33/584830133.db2.gz KKLZWIDHQXNOQL-QWHCGFSZSA-N 3 0 239.407 1.578 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+]Cc2cc(N)ccn2)CC[NH2+]1 ZINC000903953188 584831459 /nfs/dbraw/zinc/83/14/59/584831459.db2.gz BWQHCVJZRUKATE-GHMZBOCLSA-N 2 0 234.347 1.142 20 0 BDADRP C[C@]1(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)CC[NH2+]C1 ZINC000903953379 584831481 /nfs/dbraw/zinc/83/14/81/584831481.db2.gz DQLSGVYUKRAKFJ-MCIONIFRSA-N 2 0 238.375 1.487 20 0 BDADRP FC1(F)CC[NH2+]C[C@H]1C[NH2+]CC[C@@H]1CCOC1 ZINC000903956180 584832302 /nfs/dbraw/zinc/83/23/02/584832302.db2.gz ILECAQPUNWVRAE-GHMZBOCLSA-N 2 0 248.317 1.247 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cccnc1 ZINC000903974119 584832579 /nfs/dbraw/zinc/83/25/79/584832579.db2.gz MJBPQULCXQQZNT-DGCLKSJQSA-N 2 0 219.332 1.417 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903978866 584833128 /nfs/dbraw/zinc/83/31/28/584833128.db2.gz NKZMEKHASREALC-JHJVBQTASA-N 3 0 227.396 1.195 20 0 BDADRP CC(C)[C@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000903963666 584833532 /nfs/dbraw/zinc/83/35/32/584833532.db2.gz FAIQLWHBLKYYND-YVECIDJPSA-N 2 0 226.364 1.388 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C[C@H]1CCSC1 ZINC000903979214 584833626 /nfs/dbraw/zinc/83/36/26/584833626.db2.gz YRRNWBVYDADFEB-IJLUTSLNSA-N 2 0 228.405 1.575 20 0 BDADRP COC[C@@H](C)C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903979220 584833659 /nfs/dbraw/zinc/83/36/59/584833659.db2.gz YVCRSEZMNRQQGL-QJPTWQEYSA-N 2 0 214.353 1.104 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1C[NH2+]C[C@H]1C ZINC000903964134 584833823 /nfs/dbraw/zinc/83/38/23/584833823.db2.gz MSQAOMGFEPLOBL-YIYPIFLZSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cnc2ccccn12 ZINC000903964023 584834030 /nfs/dbraw/zinc/83/40/30/584834030.db2.gz FHGOJAODTGPQBG-NEPJUHHUSA-N 2 0 244.342 1.279 20 0 BDADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1C[NH2+]C[C@H]1C ZINC000903964135 584834090 /nfs/dbraw/zinc/83/40/90/584834090.db2.gz MSQAOMGFEPLOBL-ZOBORPQBSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc(O)c1 ZINC000903964853 584834350 /nfs/dbraw/zinc/83/43/50/584834350.db2.gz SOGASBGTZMAWOD-PWSUYJOCSA-N 2 0 220.316 1.337 20 0 BDADRP CC[C@@H]1C[C@@H](C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000903965192 584834410 /nfs/dbraw/zinc/83/44/10/584834410.db2.gz ZPCULRMNURZOKM-ZOBORPQBSA-N 2 0 240.391 1.637 20 0 BDADRP C[C@H](CC1CCOCC1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903966734 584834715 /nfs/dbraw/zinc/83/47/15/584834715.db2.gz ANBQIAKABPMILH-BZPMIXESSA-N 2 0 240.391 1.637 20 0 BDADRP [NH3+][C@H](C[NH2+][C@@H]1CCO[C@H]1C1CC1)CC(F)F ZINC000903986583 584835606 /nfs/dbraw/zinc/83/56/06/584835606.db2.gz MQYHHABUBKLIEZ-NGZCFLSTSA-N 2 0 234.290 1.126 20 0 BDADRP C[NH2+][C@H]1CCN(C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC000904297213 584860088 /nfs/dbraw/zinc/86/00/88/584860088.db2.gz IWUQPNVYGFPFBZ-NEPJUHHUSA-N 2 0 227.396 1.434 20 0 BDADRP CN(C[C@]1(C)CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC000904299460 584860518 /nfs/dbraw/zinc/86/05/18/584860518.db2.gz DZAIOOTZMBQHHD-CYBMUJFWSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@@H]1CN(C[C@]2(C)CCC[NH2+]C2)CC[C@H]1[NH3+] ZINC000904299683 584860777 /nfs/dbraw/zinc/86/07/77/584860777.db2.gz LOTMHTBPLUHNTC-JHJVBQTASA-N 2 0 225.380 1.045 20 0 BDADRP [NH3+][C@H]1C[C@@H](CN2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000904299958 584860801 /nfs/dbraw/zinc/86/08/01/584860801.db2.gz SJKRLNWBYZLNRD-RFQIPJPRSA-N 2 0 237.391 1.330 20 0 BDADRP C[C@@H]1CN(C[C@]2(C)CCC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000904299682 584860907 /nfs/dbraw/zinc/86/09/07/584860907.db2.gz LOTMHTBPLUHNTC-FRRDWIJNSA-N 2 0 225.380 1.045 20 0 BDADRP [NH3+]Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000904300177 584861106 /nfs/dbraw/zinc/86/11/06/584861106.db2.gz XYORGWJFUOBPBA-AWEZNQCLSA-N 3 0 233.359 1.316 20 0 BDADRP C[NH2+]C[C@@H]1CCCN1C[C@@]1(C)CCC[NH2+]C1 ZINC000904301500 584861236 /nfs/dbraw/zinc/86/12/36/584861236.db2.gz MIANKRTYFDTGDB-STQMWFEESA-N 2 0 225.380 1.060 20 0 BDADRP CC[N@H+](CCc1ccccn1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904312014 584862970 /nfs/dbraw/zinc/86/29/70/584862970.db2.gz DGNNFDBDRLGZBB-BETUJISGSA-N 2 0 233.359 1.683 20 0 BDADRP COC(=O)CC[N@H+](CC(C)C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904313418 584863585 /nfs/dbraw/zinc/86/35/85/584863585.db2.gz ZOKCNZNTNZWYPA-TXEJJXNPSA-N 2 0 242.363 1.245 20 0 BDADRP C[C@@H](c1ccccn1)[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904329767 584865781 /nfs/dbraw/zinc/86/57/81/584865781.db2.gz UEWJOSHXBBIFDP-SDDRHHMPSA-N 2 0 219.332 1.812 20 0 BDADRP COC(=O)[C@@H]1CCCCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904332885 584866074 /nfs/dbraw/zinc/86/60/74/584866074.db2.gz SHRMZEMWSFAMRM-TUAOUCFPSA-N 2 0 240.347 1.141 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCc3ccc(O)cc3CC2)C1 ZINC000904335680 584866696 /nfs/dbraw/zinc/86/66/96/584866696.db2.gz JHRMABADHCOYSI-VDISTLRHSA-N 2 0 246.354 1.530 20 0 BDADRP Cn1ccnc1[C@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904345170 584867724 /nfs/dbraw/zinc/86/77/24/584867724.db2.gz DVPWAGILHMKISH-RWMBFGLXSA-N 2 0 248.374 1.337 20 0 BDADRP C[C@@H]1CN(C[C@@H]([NH3+])CCC(C)(C)C)C[C@H]1[NH3+] ZINC000904351619 584869521 /nfs/dbraw/zinc/86/95/21/584869521.db2.gz ZRNIATFSIQLZET-GRYCIOLGSA-N 2 0 227.396 1.419 20 0 BDADRP [NH3+]Cc1ccc(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000904350714 584869545 /nfs/dbraw/zinc/86/95/45/584869545.db2.gz PVERPDXNSCTAHL-CABCVRRESA-N 2 0 245.370 1.329 20 0 BDADRP [NH3+]Cc1ccc(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000904350716 584869622 /nfs/dbraw/zinc/86/96/22/584869622.db2.gz PVERPDXNSCTAHL-HUUCEWRRSA-N 2 0 245.370 1.329 20 0 BDADRP CC[NH2+]CCNC[C@H]([NH3+])CCC(C)(C)C ZINC000904353229 584869709 /nfs/dbraw/zinc/86/97/09/584869709.db2.gz JLYGUVZDPIDEJW-LLVKDONJSA-N 2 0 215.385 1.339 20 0 BDADRP C[C@@H](NCc1nccn1C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000904353394 584870025 /nfs/dbraw/zinc/87/00/25/584870025.db2.gz LLFRXQIMYRYXAB-VXGBXAGGSA-N 2 0 248.374 1.696 20 0 BDADRP N[C@@H](C[NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccccc1 ZINC000904354453 584870120 /nfs/dbraw/zinc/87/01/20/584870120.db2.gz YSGSRARBVOGTIN-UHTWSYAYSA-N 2 0 219.332 1.013 20 0 BDADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2nccn2C2CC2)C1 ZINC000904355365 584870953 /nfs/dbraw/zinc/87/09/53/584870953.db2.gz QTISNDZILUFHNX-WDEREUQCSA-N 2 0 234.347 1.435 20 0 BDADRP C[C@@H](C[NH3+])NC[C@@H]([NH3+])CCC(C)(C)C ZINC000904355016 584870984 /nfs/dbraw/zinc/87/09/84/584870984.db2.gz JVDLXZDWOSBTSE-UWVGGRQHSA-N 2 0 201.358 1.077 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@H]1NC[C@@H]([NH3+])CCC(C)(C)C ZINC000904355739 584871515 /nfs/dbraw/zinc/87/15/15/584871515.db2.gz RAKMXRDGJRTCJK-FRRDWIJNSA-N 2 0 241.423 1.728 20 0 BDADRP C[C@H]([NH2+]C1CC(C[NH3+])C1)C1CCOCC1 ZINC000904359558 584871614 /nfs/dbraw/zinc/87/16/14/584871614.db2.gz BGBVADLAXJVVRO-BMQDGWLCSA-N 2 0 212.337 1.128 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)C1 ZINC000904361264 584871964 /nfs/dbraw/zinc/87/19/64/584871964.db2.gz ZKYGUFKSAZTWMN-MLGHIDQZSA-N 2 0 224.348 1.271 20 0 BDADRP [NH3+]CC1CC([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000904369096 584872641 /nfs/dbraw/zinc/87/26/41/584872641.db2.gz XQHMTIJFQGEDBR-WJFHSMSDSA-N 2 0 236.359 1.271 20 0 BDADRP COCCC[NH2+]C[C@H]([NH3+])CCC(C)(C)C ZINC000904367947 584872707 /nfs/dbraw/zinc/87/27/07/584872707.db2.gz KZWOOEZKQRNYCT-LLVKDONJSA-N 2 0 216.369 1.766 20 0 BDADRP C[C@@H]1CCN(C[C@]2(C)CCC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000904371068 584873189 /nfs/dbraw/zinc/87/31/89/584873189.db2.gz IMTOJDCYYAUWQC-HZSPNIEDSA-N 2 0 239.407 1.293 20 0 BDADRP CC(C)OCCC[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000904363672 584874173 /nfs/dbraw/zinc/87/41/73/584874173.db2.gz AZRRQAZAZPIOHN-CYBMUJFWSA-N 2 0 228.380 1.781 20 0 BDADRP [NH3+]CC1CC([NH2+]CCc2ccc(F)cc2)C1 ZINC000904363908 584874410 /nfs/dbraw/zinc/87/44/10/584874410.db2.gz FLWIGTSCGZQMTF-UHFFFAOYSA-N 2 0 222.307 1.695 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])C[NH2+]CCn1ccnc1 ZINC000904363749 584874460 /nfs/dbraw/zinc/87/44/60/584874460.db2.gz BRJYMVQZSLVKQU-GFCCVEGCSA-N 2 0 238.379 1.626 20 0 BDADRP Cc1ccccc1OCC[NH2+]C1CC(C[NH3+])C1 ZINC000904363907 584874534 /nfs/dbraw/zinc/87/45/34/584874534.db2.gz FKLXZQADIIGDJL-UHFFFAOYSA-N 2 0 234.343 1.701 20 0 BDADRP CC1(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)CC1 ZINC000904392852 584875469 /nfs/dbraw/zinc/87/54/69/584875469.db2.gz BJWAYCJTEDCCJM-GFCCVEGCSA-N 2 0 238.375 1.616 20 0 BDADRP COC[C@@H](CC(C)(C)C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904375656 584875637 /nfs/dbraw/zinc/87/56/37/584875637.db2.gz DWIAWXQIOCIGRW-GRYCIOLGSA-N 2 0 228.380 1.765 20 0 BDADRP [NH3+]CC1CC([NH2+][C@@H]2CNc3ccccc3C2)C1 ZINC000904376652 584876068 /nfs/dbraw/zinc/87/60/68/584876068.db2.gz WKXDSCXHYJRBBA-GDKBPFBDSA-N 2 0 231.343 1.350 20 0 BDADRP C[C@H](C[NH2+]C1CC(C[NH3+])C1)c1ccccn1 ZINC000904376868 584876289 /nfs/dbraw/zinc/87/62/89/584876289.db2.gz GOKUEDRRTNYGHW-VOMCLLRMSA-N 2 0 219.332 1.512 20 0 BDADRP C[C@]1(CN2C[C@H]3CCC[C@@]3([NH3+])C2)CCC[NH2+]C1 ZINC000904380881 584876886 /nfs/dbraw/zinc/87/68/86/584876886.db2.gz PBTBENQOPNPTNW-HZSPNIEDSA-N 2 0 237.391 1.189 20 0 BDADRP COC(=O)C(C)(C)CC[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000904405040 584878379 /nfs/dbraw/zinc/87/83/79/584878379.db2.gz HLGDNAKRLXWZID-NSHDSACASA-N 2 0 242.363 1.246 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000904406275 584878447 /nfs/dbraw/zinc/87/84/47/584878447.db2.gz DRSJHKIMPNWPNL-STQMWFEESA-N 3 0 241.423 1.811 20 0 BDADRP CC[C@H]1C[C@@H](C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)CCO1 ZINC000904417422 584881727 /nfs/dbraw/zinc/88/17/27/584881727.db2.gz BOSXQUGZEJGJKO-RQJABVFESA-N 2 0 240.391 1.718 20 0 BDADRP c1csc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000904421041 584881855 /nfs/dbraw/zinc/88/18/55/584881855.db2.gz MHXVVCVVHKMCIT-WDEREUQCSA-N 2 0 222.357 1.789 20 0 BDADRP CC[C@@H](C[NH+]1CCCC1)Nc1cc(C)[nH+]c(N)n1 ZINC000758453287 584905782 /nfs/dbraw/zinc/90/57/82/584905782.db2.gz NXIULHGQUMVFOD-NSHDSACASA-N 2 0 249.362 1.654 20 0 BDADRP CCCC[N@H+](C)CCNc1cc(C)[nH+]c(N)n1 ZINC000732805118 584941314 /nfs/dbraw/zinc/94/13/14/584941314.db2.gz FAGMCQUWIUBEED-UHFFFAOYSA-N 2 0 237.351 1.511 20 0 BDADRP CC(C)[C@@H](C[NH+](C)C)NC(=O)C[N@H+](C)C(C)C ZINC000733163711 584943996 /nfs/dbraw/zinc/94/39/96/584943996.db2.gz HGYRTOGXVNSISL-GFCCVEGCSA-N 2 0 243.395 1.029 20 0 BDADRP CC[C@H](NCC[N@@H+]1CCC[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000817914156 584991350 /nfs/dbraw/zinc/99/13/50/584991350.db2.gz UKRBKMCJWHDPAS-IHRRRGAJSA-N 2 0 239.407 1.591 20 0 BDADRP CC[C@@H](NCC[N@@H+]1CCC[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000817914158 584991353 /nfs/dbraw/zinc/99/13/53/584991353.db2.gz UKRBKMCJWHDPAS-MJBXVCDLSA-N 2 0 239.407 1.591 20 0 BDADRP COCC[C@@H](C)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886872233 585186645 /nfs/dbraw/zinc/18/66/45/585186645.db2.gz NDRCXIIROMPVGA-ZIAGYGMSSA-N 2 0 240.391 1.877 20 0 BDADRP CC[NH+](CC)[C@H]1CCN(CC[NH+]2CCCC2)C1 ZINC000760841495 585398823 /nfs/dbraw/zinc/39/88/23/585398823.db2.gz QMFCFCLVMDKBLK-AWEZNQCLSA-N 2 0 239.407 1.498 20 0 BDADRP CC[NH+]1CCC(N(C)CC[NH+]2CCCC2)CC1 ZINC000760843290 585398966 /nfs/dbraw/zinc/39/89/66/585398966.db2.gz NRAUOJZLRTUMSY-UHFFFAOYSA-N 2 0 239.407 1.498 20 0 BDADRP C[C@@H]1C[C@@H](N(C)CC[NH+]2CCCC2)CC[N@@H+]1C ZINC000760842852 585399071 /nfs/dbraw/zinc/39/90/71/585399071.db2.gz KTCZTQBGVMOYCD-KGLIPLIRSA-N 2 0 239.407 1.497 20 0 BDADRP CC(C)[NH2+]C1CCN(CC[NH+]2CCCC2)CC1 ZINC000760854626 585399924 /nfs/dbraw/zinc/39/99/24/585399924.db2.gz BAITYWFHGDPACS-UHFFFAOYSA-N 2 0 239.407 1.545 20 0 BDADRP c1nncn1CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000776759748 585704960 /nfs/dbraw/zinc/70/49/60/585704960.db2.gz DGLINGUPXWKFBZ-CYBMUJFWSA-N 2 0 249.362 1.186 20 0 BDADRP C[C@H](CCO)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000779340963 585751874 /nfs/dbraw/zinc/75/18/74/585751874.db2.gz LHZXLDORXRBBIG-CQSZACIVSA-N 2 0 242.407 1.859 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782621519 585823068 /nfs/dbraw/zinc/82/30/68/585823068.db2.gz SQYTWPPSEPWCJY-BFHYXJOUSA-N 2 0 238.375 1.175 20 0 BDADRP C[C@@H]1CC[C@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000783221780 585831199 /nfs/dbraw/zinc/83/11/99/585831199.db2.gz HXJDAUXMYGLOHJ-ZIAGYGMSSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@@H]1CC[C@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000783240806 585831828 /nfs/dbraw/zinc/83/18/28/585831828.db2.gz RQVMGUWTCGXSOD-ZIAGYGMSSA-N 2 0 239.407 1.402 20 0 BDADRP CC[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000788489876 585925506 /nfs/dbraw/zinc/92/55/06/585925506.db2.gz SRVXXAQIEGOFKL-KGLIPLIRSA-N 2 0 240.391 1.875 20 0 BDADRP CCOCC[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000795084578 586068536 /nfs/dbraw/zinc/06/85/36/586068536.db2.gz DYEYOHYVJLUDTK-ZDUSSCGKSA-N 2 0 249.358 1.629 20 0 BDADRP CC[NH+](CC)CCOC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000803495323 586361956 /nfs/dbraw/zinc/36/19/56/586361956.db2.gz NSVDQGNLWMRBBD-GFCCVEGCSA-N 2 0 244.379 1.458 20 0 BDADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1CC[N@H+](C)C1 ZINC000817888101 586832061 /nfs/dbraw/zinc/83/20/61/586832061.db2.gz APGVWMCURJWDGY-AEGPPILISA-N 2 0 247.386 1.239 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000817901543 586836259 /nfs/dbraw/zinc/83/62/59/586836259.db2.gz WTZQFJKOPBZGBH-CWSCBRNRSA-N 2 0 240.322 1.575 20 0 BDADRP C[C@@H](NC[C@H](C)[NH+]1CCCCC1)[C@H]1CCC[NH2+]1 ZINC000817913184 586837943 /nfs/dbraw/zinc/83/79/43/586837943.db2.gz HHVFZHVXUMJGRW-BFHYXJOUSA-N 2 0 239.407 1.591 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)c1ccco1 ZINC000817912327 586837964 /nfs/dbraw/zinc/83/79/64/586837964.db2.gz ABKRUQWMRKIQBX-SDDRHHMPSA-N 2 0 238.331 1.420 20 0 BDADRP CC1(CC[NH2+][C@H]2CCCCC[C@H]2[NH3+])OCCO1 ZINC000817922895 586840551 /nfs/dbraw/zinc/84/05/51/586840551.db2.gz OCRKEYYIBKWEPR-NEPJUHHUSA-N 2 0 242.363 1.389 20 0 BDADRP Cn1nccc1CC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000817922590 586840626 /nfs/dbraw/zinc/84/06/26/586840626.db2.gz HONCEZPOKZNKPN-STQMWFEESA-N 2 0 236.363 1.212 20 0 BDADRP Cc1ccc([C@@H](O)C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000817926493 586840954 /nfs/dbraw/zinc/84/09/54/586840954.db2.gz KHCJXEGVNGCJLB-ILXRZTDVSA-N 2 0 248.370 1.745 20 0 BDADRP C[C@H]([NH2+][C@@H](CCO)Cc1ccccc1)C1C[NH2+]C1 ZINC000817927374 586841609 /nfs/dbraw/zinc/84/16/09/586841609.db2.gz FPQLNQSKCKOCSR-WFASDCNBSA-N 2 0 248.370 1.178 20 0 BDADRP C[C@@H]([NH2+]CCC[NH3+])c1ccnc(Cl)c1 ZINC000817938511 586844109 /nfs/dbraw/zinc/84/41/09/586844109.db2.gz LZGUJRPUTIQSII-MRVPVSSYSA-N 2 0 213.712 1.734 20 0 BDADRP c1[nH]nc2c1[C@H]([NH2+]CC1CC[NH2+]CC1)CCC2 ZINC000817941240 586844951 /nfs/dbraw/zinc/84/49/51/586844951.db2.gz OHIDQWNLQSIFQQ-GFCCVEGCSA-N 2 0 234.347 1.376 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817948271 586846707 /nfs/dbraw/zinc/84/67/07/586846707.db2.gz IAQBQBUZAIGQRL-NEPJUHHUSA-N 3 0 235.375 1.403 20 0 BDADRP CC[NH2+]CC(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000818525036 586897061 /nfs/dbraw/zinc/89/70/61/586897061.db2.gz VIUCNFKLHNNXNU-SECBINFHSA-N 2 0 221.304 1.254 20 0 BDADRP C[NH+](C)CC1CCC([NH2+]C[C@H](O)C2CC2)CC1 ZINC000819185099 586936438 /nfs/dbraw/zinc/93/64/38/586936438.db2.gz LDDOBPXYXPPFKY-UBHUBRDASA-N 2 0 240.391 1.467 20 0 BDADRP C[N@H+](CCCC[NH2+]C[C@H](O)C1CC1)C1CC1 ZINC000819363337 586956947 /nfs/dbraw/zinc/95/69/47/586956947.db2.gz VLHRJHYVMQJUSU-ZDUSSCGKSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H]([NH2+]CCCO)c1cccc(C[NH+](C)C)c1 ZINC000820806076 587073449 /nfs/dbraw/zinc/07/34/49/587073449.db2.gz ZRASDWMAFVIJHR-GFCCVEGCSA-N 2 0 236.359 1.781 20 0 BDADRP CO[C@@H]1CC[C@@H]([NH+]2CCC(C[NH+](C)C)CC2)C1 ZINC000821355149 587111050 /nfs/dbraw/zinc/11/10/50/587111050.db2.gz PHQRRHXOJJUPQO-ZIAGYGMSSA-N 2 0 240.391 1.828 20 0 BDADRP CO[C@H]1CC[C@@H]([NH+]2CCC(C[NH+](C)C)CC2)C1 ZINC000821355147 587111417 /nfs/dbraw/zinc/11/14/17/587111417.db2.gz PHQRRHXOJJUPQO-KGLIPLIRSA-N 2 0 240.391 1.828 20 0 BDADRP C[C@@H](O)CC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000829443940 587497408 /nfs/dbraw/zinc/49/74/08/587497408.db2.gz LWMSCKODYKBFJU-CYBMUJFWSA-N 2 0 240.391 1.565 20 0 BDADRP CCC[C@@H](O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000830028105 587532551 /nfs/dbraw/zinc/53/25/51/587532551.db2.gz DZMQGRGYRWLYAV-ZIAGYGMSSA-N 2 0 240.391 1.565 20 0 BDADRP CC(C)[C@H](CO)[C@@H]([NH2+]Cc1cnc[nH]1)C(C)C ZINC000831663195 587626770 /nfs/dbraw/zinc/62/67/70/587626770.db2.gz DYJWYOKCIAEMNA-STQMWFEESA-N 2 0 239.363 1.788 20 0 BDADRP C[C@H](CCC[NH3+])NC(=O)c1cccc(C[NH3+])c1 ZINC000834813129 587767345 /nfs/dbraw/zinc/76/73/45/587767345.db2.gz FGUDDHXVRMWQGV-SNVBAGLBSA-N 2 0 235.331 1.003 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000840764034 587920402 /nfs/dbraw/zinc/92/04/02/587920402.db2.gz OAUHOBORBKAQTO-BZGXSOKISA-N 2 0 238.375 1.769 20 0 BDADRP [NH3+]CCc1ccc(C[NH2+]CC2(F)CC2)cc1 ZINC000841032267 587937271 /nfs/dbraw/zinc/93/72/71/587937271.db2.gz ARUQEKVZAWRHHR-UHFFFAOYSA-N 2 0 222.307 1.780 20 0 BDADRP CC[NH2+]CCN[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000841036702 587937538 /nfs/dbraw/zinc/93/75/38/587937538.db2.gz VWKARXOROYXHMG-OUAUKWLOSA-N 2 0 246.445 1.565 20 0 BDADRP CCCCC[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000841088391 587943806 /nfs/dbraw/zinc/94/38/06/587943806.db2.gz ZULYAENZMJQNLY-STQMWFEESA-N 2 0 228.380 1.923 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cccnc1Cl ZINC000841081870 587944587 /nfs/dbraw/zinc/94/45/87/587944587.db2.gz YSROOIMBLUNOSO-VIFPVBQESA-N 2 0 227.739 1.952 20 0 BDADRP Cc1ncc(C[NH2+][C@H]2CC23CC[NH2+]CC3)s1 ZINC000841079740 587944738 /nfs/dbraw/zinc/94/47/38/587944738.db2.gz NBIRUKPGTVZPNW-NSHDSACASA-N 2 0 237.372 1.683 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)C[C@@H]([NH3+])C2CC2)cc1 ZINC000841849172 587978063 /nfs/dbraw/zinc/97/80/63/587978063.db2.gz ZBRHGKCUOXFQAY-TVQRCGJNSA-N 2 0 247.342 1.772 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)C[C@@H]([NH3+])C2CC2)cc1 ZINC000841853264 587978171 /nfs/dbraw/zinc/97/81/71/587978171.db2.gz ZFJWKFNHNCMMSM-CYBMUJFWSA-N 2 0 247.342 1.472 20 0 BDADRP CC[C@@H]1C(=O)NCC[N@H+]1CCCCCCC[NH3+] ZINC000842472546 588028782 /nfs/dbraw/zinc/02/87/82/588028782.db2.gz ZVULIBCBHIDQGW-GFCCVEGCSA-N 2 0 241.379 1.106 20 0 BDADRP C[C@@H](O)CC[N@H+](C)CCCCCCC[NH3+] ZINC000842473479 588029149 /nfs/dbraw/zinc/02/91/49/588029149.db2.gz VORCUDSSHODZCY-GFCCVEGCSA-N 2 0 216.369 1.598 20 0 BDADRP CC(C)(C)[C@H](CN)[NH2+]CCCCCCC[NH3+] ZINC000842475747 588029690 /nfs/dbraw/zinc/02/96/90/588029690.db2.gz UFXYOFJVVPSGFR-LBPRGKRZSA-N 2 0 229.412 1.859 20 0 BDADRP [NH3+]Cc1cccc(-c2nc([C@H]3CCC[NH2+]3)no2)c1 ZINC000842645847 588048025 /nfs/dbraw/zinc/04/80/25/588048025.db2.gz NBRNBYLXDAOLIE-LLVKDONJSA-N 2 0 244.298 1.620 20 0 BDADRP [NH3+]CCCCCc1nc([C@H]2CCC[NH2+]2)no1 ZINC000842645879 588048496 /nfs/dbraw/zinc/04/84/96/588048496.db2.gz ZHRNHWLCMNMNIL-SECBINFHSA-N 2 0 224.308 1.166 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+]C1CCC([NH3+])CC1 ZINC000843105176 588081655 /nfs/dbraw/zinc/08/16/55/588081655.db2.gz RMHQIEVNRHXRJC-CXQJBGSLSA-N 3 0 213.369 1.219 20 0 BDADRP [NH3+]CCCCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000843126891 588084517 /nfs/dbraw/zinc/08/45/17/588084517.db2.gz AUEMSXDACIIPCT-MELADBBJSA-N 3 0 239.407 1.483 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+]CCCCCC[NH3+] ZINC000843127878 588085278 /nfs/dbraw/zinc/08/52/78/588085278.db2.gz RPSHPBIXAFQRTR-QWRGUYRKSA-N 2 0 200.326 1.273 20 0 BDADRP C[C@H]1CN(C)C[C@@H]1[NH2+]CCCCCC[NH3+] ZINC000843342130 588100975 /nfs/dbraw/zinc/10/09/75/588100975.db2.gz NKOXSOZHHXQBJX-RYUDHWBXSA-N 2 0 213.369 1.045 20 0 BDADRP [NH3+]CCCCCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000843344110 588101524 /nfs/dbraw/zinc/10/15/24/588101524.db2.gz QWQXCOGEAMGTGG-CHWSQXEVSA-N 3 0 227.396 1.613 20 0 BDADRP C[C@@H]([NH2+]CCCCCC[NH3+])C1CCOCC1 ZINC000843342433 588101648 /nfs/dbraw/zinc/10/16/48/588101648.db2.gz QPWFZYNMMCWEHI-GFCCVEGCSA-N 2 0 228.380 1.910 20 0 BDADRP C[C@@H]1C[N@@H+](CCCCCCC[NH3+])C[C@H](C)N1 ZINC000843352152 588102504 /nfs/dbraw/zinc/10/25/04/588102504.db2.gz RFSFDPBESNEKPD-BETUJISGSA-N 2 0 227.396 1.578 20 0 BDADRP C[N@H+](Cc1cccc(N)c1)C1CCC([NH3+])CC1 ZINC000843354975 588102950 /nfs/dbraw/zinc/10/29/50/588102950.db2.gz HMBHWGTXQJWXAD-UHFFFAOYSA-N 2 0 233.359 1.971 20 0 BDADRP CC(C)CC1CC[NH+](CCOCC[NH3+])CC1 ZINC000843359715 588103998 /nfs/dbraw/zinc/10/39/98/588103998.db2.gz WHCRBPUDHOPRDP-UHFFFAOYSA-N 2 0 228.380 1.720 20 0 BDADRP CC[C@@H]1C[N@H+](CCCCCCC[NH3+])CC[C@H]1[NH3+] ZINC000843378082 588105585 /nfs/dbraw/zinc/10/55/85/588105585.db2.gz ZBQDXGJVARFLTL-ZIAGYGMSSA-N 3 0 241.423 1.955 20 0 BDADRP C[C@H](C[NH2+]C1CCCC1)CN1CC[NH+](C)CC1 ZINC000105440214 588173181 /nfs/dbraw/zinc/17/31/81/588173181.db2.gz JODJXDKPPQWENP-CYBMUJFWSA-N 2 0 239.407 1.402 20 0 BDADRP [NH3+]CC1(CC[NH2+]C[C@@H]2CCCOC2)CC1 ZINC000844903851 588218942 /nfs/dbraw/zinc/21/89/42/588218942.db2.gz PIKZSARXZGCHGK-NSHDSACASA-N 2 0 212.337 1.132 20 0 BDADRP Cc1cc([C@@H](C)[NH2+]CCC2(C[NH3+])CC2)n(C)n1 ZINC000844919334 588219137 /nfs/dbraw/zinc/21/91/37/588219137.db2.gz FJFRYHWCJJMOFP-LLVKDONJSA-N 2 0 236.363 1.508 20 0 BDADRP C[NH2+]CC1CC[NH+](CCCCCC[NH3+])CC1 ZINC000846217431 588260256 /nfs/dbraw/zinc/26/02/56/588260256.db2.gz HKTUFCGHJBHAGB-UHFFFAOYSA-N 3 0 227.396 1.437 20 0 BDADRP C[C@H]1CCC[N@H+](CCCCCC[NH3+])[C@@H]1CN ZINC000846217428 588260313 /nfs/dbraw/zinc/26/03/13/588260313.db2.gz HJKAKZBOKBPDHZ-QWHCGFSZSA-N 2 0 227.396 1.565 20 0 BDADRP C[C@@H]1C[N@H+](CCCCCC[NH3+])[C@H](C)CN1C ZINC000846220323 588261195 /nfs/dbraw/zinc/26/11/95/588261195.db2.gz FZDTWGMQXHDYHB-CHWSQXEVSA-N 2 0 227.396 1.530 20 0 BDADRP COC[C@H]1C[N@H+](CCCCCC[NH3+])C[C@@H](C)O1 ZINC000846221376 588261445 /nfs/dbraw/zinc/26/14/45/588261445.db2.gz XYJKQAHLMLNVLG-CHWSQXEVSA-N 2 0 244.379 1.241 20 0 BDADRP CC(C)C(=O)NCC[N@H+](C)CCCCCC[NH3+] ZINC000846224477 588261672 /nfs/dbraw/zinc/26/16/72/588261672.db2.gz YCWMNQHGSKXCMZ-UHFFFAOYSA-N 2 0 243.395 1.210 20 0 BDADRP C[C@H]1C[C@@H]([NH3+])CCN1C(=O)CCCCCC[NH3+] ZINC000846744154 588284378 /nfs/dbraw/zinc/28/43/78/588284378.db2.gz XIOGEOKFFMXRNY-RYUDHWBXSA-N 2 0 241.379 1.234 20 0 BDADRP C[C@H](C[C@H]1CCOC1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848558183 588397293 /nfs/dbraw/zinc/39/72/93/588397293.db2.gz NRQBEKIBVIRBQC-SYQHCUMBSA-N 2 0 240.391 1.731 20 0 BDADRP CC(C)(O)C[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000848668754 588404706 /nfs/dbraw/zinc/40/47/06/588404706.db2.gz SMDAEOIKNCSUEG-NWDGAFQWSA-N 2 0 226.364 1.364 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCNc2ccccc2)C1 ZINC000848718595 588408529 /nfs/dbraw/zinc/40/85/29/588408529.db2.gz NRYUAXMVCVVCCH-JSGCOSHPSA-N 2 0 233.359 1.958 20 0 BDADRP CC(C)(CNC(=[NH2+])N1CCC1)[NH+]1CCCCC1 ZINC000848981627 588423498 /nfs/dbraw/zinc/42/34/98/588423498.db2.gz GJOHGXPUNGJGRZ-UHFFFAOYSA-N 2 0 238.379 1.481 20 0 BDADRP CCCNC(=[NH2+])NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000848987006 588425554 /nfs/dbraw/zinc/42/55/54/588425554.db2.gz DOKVTPDBIKHSSY-NEPJUHHUSA-N 2 0 240.395 1.773 20 0 BDADRP CCC[NH+]1CCC(CNC(=[NH2+])NC2CC2)CC1 ZINC000848996385 588429019 /nfs/dbraw/zinc/42/90/19/588429019.db2.gz XXUVDKCMSXOVJR-UHFFFAOYSA-N 2 0 238.379 1.385 20 0 BDADRP CC[C@@H](C)NC(=[NH2+])NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000848996494 588429089 /nfs/dbraw/zinc/42/90/89/588429089.db2.gz ZDMDDJDFTLSFEP-NEPJUHHUSA-N 2 0 240.395 1.629 20 0 BDADRP CCC[NH+]1CCC(CNC(=[NH2+])N2CCC2)CC1 ZINC000848996030 588429139 /nfs/dbraw/zinc/42/91/39/588429139.db2.gz CCCUFRHGRDKLJH-UHFFFAOYSA-N 2 0 238.379 1.338 20 0 BDADRP CNC(=[NH2+])NCCCCCCC[NH+]1CCCC1 ZINC000848997080 588429597 /nfs/dbraw/zinc/42/95/97/588429597.db2.gz PCJJXQFLMJZWOO-UHFFFAOYSA-N 2 0 240.395 1.776 20 0 BDADRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])NC2CCC2)C1 ZINC000848997550 588429635 /nfs/dbraw/zinc/42/96/35/588429635.db2.gz PEMWBJOJKJWXRT-LLVKDONJSA-N 2 0 238.379 1.385 20 0 BDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])N(C)C ZINC000848999142 588430047 /nfs/dbraw/zinc/43/00/47/588430047.db2.gz XAJDMEFLIINYRF-GFCCVEGCSA-N 2 0 240.395 1.727 20 0 BDADRP CC[C@@H](C)[N@H+](C)CCNC(=[NH2+])NC1CCC1 ZINC000849000906 588430795 /nfs/dbraw/zinc/43/07/95/588430795.db2.gz CUORYJFEDKZENC-SNVBAGLBSA-N 2 0 226.368 1.383 20 0 BDADRP C[C@@H]1CC[N@H+](CCNC(=[NH2+])Nc2ccccc2)C1 ZINC000849004374 588431586 /nfs/dbraw/zinc/43/15/86/588431586.db2.gz OCRAOSSOARILLG-GFCCVEGCSA-N 2 0 246.358 1.965 20 0 BDADRP CC[C@@H](C)NC(=[NH2+])NCC[N@@H+]1CC[C@@H](C)C1 ZINC000849004257 588431620 /nfs/dbraw/zinc/43/16/20/588431620.db2.gz JQXRNHFKZYNXCJ-GHMZBOCLSA-N 2 0 226.368 1.241 20 0 BDADRP CCCCNC(=[NH2+])NCC[N@@H+]1CC[C@@H](C)C1 ZINC000849004255 588431629 /nfs/dbraw/zinc/43/16/29/588431629.db2.gz JPTUGZBPANBPCC-LLVKDONJSA-N 2 0 226.368 1.242 20 0 BDADRP C[C@@H](CNC(=[NH2+])N1CCC[C@H](C)C1)C[NH+](C)C ZINC000849029999 588442212 /nfs/dbraw/zinc/44/22/12/588442212.db2.gz CFROLKQEWHFILO-RYUDHWBXSA-N 2 0 240.395 1.440 20 0 BDADRP CCCCCCNC(=[NH2+])NC[C@@H](C)C[NH+](C)C ZINC000849030360 588442465 /nfs/dbraw/zinc/44/24/65/588442465.db2.gz LNYYPOMIAAOUMI-GFCCVEGCSA-N 2 0 242.411 1.878 20 0 BDADRP CC1(C)CCC[N@@H+]1CCNC(=[NH2+])NC1CC1 ZINC000849039153 588446636 /nfs/dbraw/zinc/44/66/36/588446636.db2.gz KNYOXZOYMNVWAW-UHFFFAOYSA-N 2 0 224.352 1.137 20 0 BDADRP C[N@H+](CCCCNC(=[NH2+])NC1CCC1)C1CC1 ZINC000849039730 588447128 /nfs/dbraw/zinc/44/71/28/588447128.db2.gz PFDHLCIWYPADCI-UHFFFAOYSA-N 2 0 238.379 1.527 20 0 BDADRP CC[NH+](CC)[C@H](C)CNC1=[NH+]CCCCN1 ZINC000849215666 588462330 /nfs/dbraw/zinc/46/23/30/588462330.db2.gz WVLPIWBWVCOIKI-LLVKDONJSA-N 2 0 226.368 1.046 20 0 BDADRP CC(C)(C)N1CC[C@@H]1C[NH2+]C[C@@H](O)C1CC1 ZINC000849325159 588472599 /nfs/dbraw/zinc/47/25/99/588472599.db2.gz CLDBXVAMGSZDCV-VXGBXAGGSA-N 2 0 226.364 1.220 20 0 BDADRP CC(C)(C)N1CC[C@H]1C[NH2+]C[C@@H](O)C1CC1 ZINC000849325157 588472608 /nfs/dbraw/zinc/47/26/08/588472608.db2.gz CLDBXVAMGSZDCV-NWDGAFQWSA-N 2 0 226.364 1.220 20 0 BDADRP Fc1ncccc1CNCc1cnc2n1CCC2 ZINC000850281976 588534683 /nfs/dbraw/zinc/53/46/83/588534683.db2.gz QHODVECOPOBWBQ-UHFFFAOYSA-N 2 0 246.289 1.653 20 0 BDADRP CC[N@@H+]1CCCN(CC[NH+]2CCCC2)[C@H](C)C1 ZINC000852165965 588668860 /nfs/dbraw/zinc/66/88/60/588668860.db2.gz NPJVCJHOCIGVDH-CQSZACIVSA-N 2 0 239.407 1.498 20 0 BDADRP C[N@H+](CCOC(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000852746116 588699149 /nfs/dbraw/zinc/69/91/49/588699149.db2.gz DSRDUZUIVHMFPG-ULKQDVFKSA-N 2 0 234.290 1.440 20 0 BDADRP FC(F)OCC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000852750081 588700233 /nfs/dbraw/zinc/70/02/33/588700233.db2.gz VMXDUPIMPPJGTL-LLVKDONJSA-N 2 0 248.317 1.690 20 0 BDADRP COC(=O)[C@]1(F)CC[N@H+](CCCCCC[NH3+])C1 ZINC000852753986 588700735 /nfs/dbraw/zinc/70/07/35/588700735.db2.gz WYSMBJVVQDOIHM-LBPRGKRZSA-N 2 0 246.326 1.093 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+]CCOCCC[NH3+])CCO1 ZINC000863486130 589293082 /nfs/dbraw/zinc/29/30/82/589293082.db2.gz DZIIFAFMZIARPM-CHWSQXEVSA-N 2 0 244.379 1.147 20 0 BDADRP CCO[C@@H](C[N@@H+]1CCC[C@H](C[NH3+])C1)C1CC1 ZINC000863539549 589295506 /nfs/dbraw/zinc/29/55/06/589295506.db2.gz DZXXVLIUFHQNGS-YPMHNXCESA-N 2 0 226.364 1.472 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000863543856 589297133 /nfs/dbraw/zinc/29/71/33/589297133.db2.gz DSRRXIXMZWBSNO-RYUDHWBXSA-N 2 0 212.337 1.001 20 0 BDADRP C[C@H](CC[NH+](C)C)N[C@@H]1CC[NH2+]C12CCC2 ZINC000863643350 589307279 /nfs/dbraw/zinc/30/72/79/589307279.db2.gz LKAFMNZTVYDXGO-VXGBXAGGSA-N 2 0 225.380 1.201 20 0 BDADRP CC[C@H]1C[C@H](C[N@H+](C)CCOCC[NH3+])CCO1 ZINC000863652173 589307662 /nfs/dbraw/zinc/30/76/62/589307662.db2.gz PGKHRXOXIOEBCX-OLZOCXBDSA-N 2 0 244.379 1.099 20 0 BDADRP C[C@H]([NH3+])c1ccc(-c2cnn3c2C[NH2+]CC3)cc1 ZINC000863713619 589312366 /nfs/dbraw/zinc/31/23/66/589312366.db2.gz PDQUWKPDIOUTJN-JTQLQIEISA-N 2 0 242.326 1.673 20 0 BDADRP C[NH+](C)CCCCNC(=[NH2+])NCCC1CC1 ZINC000864452357 589365352 /nfs/dbraw/zinc/36/53/52/589365352.db2.gz NOJDCEKMINZVGY-UHFFFAOYSA-N 2 0 226.368 1.242 20 0 BDADRP C[C@H](CNC(=[NH2+])N[C@@H]1C[C@H]1C)C[NH+]1CCCC1 ZINC000864454666 589366577 /nfs/dbraw/zinc/36/65/77/589366577.db2.gz RGYQNMUTSFAKJW-IJLUTSLNSA-N 2 0 238.379 1.241 20 0 BDADRP CCC[N@H+](CC)CCNC(=[NH2+])N[C@@H]1C[C@@H]1C ZINC000864457117 589367397 /nfs/dbraw/zinc/36/73/97/589367397.db2.gz PBJLVKUSOYVWMI-WDEREUQCSA-N 2 0 226.368 1.241 20 0 BDADRP Cc1ncc(C[NH2+][C@]23CCC[C@H]2OCC3)n1C ZINC000865857780 589465329 /nfs/dbraw/zinc/46/53/29/589465329.db2.gz UQSIYJMAFHWXPR-OLZOCXBDSA-N 2 0 235.331 1.530 20 0 BDADRP N[C@@H]1CCCCC[N@H+](CCCCCC[NH3+])C1 ZINC000866671040 589510780 /nfs/dbraw/zinc/51/07/80/589510780.db2.gz JKNHGWLNUFDUGW-CYBMUJFWSA-N 2 0 227.396 1.709 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc(N)c3)CC[C@H]21 ZINC000866703718 589513935 /nfs/dbraw/zinc/51/39/35/589513935.db2.gz KTYGXBKQAHCKKH-UKRRQHHQSA-N 2 0 245.370 1.795 20 0 BDADRP CC1(C)C[C@@H](O)C[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000866703404 589514035 /nfs/dbraw/zinc/51/40/35/589514035.db2.gz MAJZKFMVBNMIJJ-CYBMUJFWSA-N 2 0 240.391 1.469 20 0 BDADRP CC1(C)[C@H]([NH3+])c2ccccc2N1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000867987282 589542542 /nfs/dbraw/zinc/54/25/42/589542542.db2.gz JENVDILCFWJHDX-JFGNBEQYSA-N 2 0 245.326 1.159 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1c1nc(C2([NH3+])CCC2)no1 ZINC000871786405 589818414 /nfs/dbraw/zinc/81/84/14/589818414.db2.gz AWDJBVHKJSCKSS-HTQZYQBOSA-N 2 0 236.319 1.248 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1c1nc([C@H]2CCC[NH2+]2)no1 ZINC000871788324 589819152 /nfs/dbraw/zinc/81/91/52/589819152.db2.gz MLKCXQBWZYUYFF-DJLDLDEBSA-N 2 0 236.319 1.335 20 0 BDADRP C1C[NH2+][C@H](c2noc([C@]34CCC[C@H]3[NH2+]CC4)n2)C1 ZINC000871789373 589819232 /nfs/dbraw/zinc/81/92/32/589819232.db2.gz XDNZOEZZTBJNKR-CWSCBRNRSA-N 2 0 248.330 1.278 20 0 BDADRP [NH3+][C@H]1CC[C@@H](c2nc([C@H]3CCC[NH2+]3)no2)CC1 ZINC000871787648 589819321 /nfs/dbraw/zinc/81/93/21/589819321.db2.gz AKNFGSDDUCAWPN-KXUCPTDWSA-N 2 0 236.319 1.479 20 0 BDADRP [NH3+]C[C@H]1CCC[N@H+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000872141869 589882461 /nfs/dbraw/zinc/88/24/61/589882461.db2.gz XJHWUSKGPVEATO-CHWSQXEVSA-N 2 0 238.375 1.616 20 0 BDADRP CC1([NH3+])CC[NH+](C[C@@H]2CC3(CCC3)CO2)CC1 ZINC000872143976 589883523 /nfs/dbraw/zinc/88/35/23/589883523.db2.gz SXNDBOBJSLOTFD-LBPRGKRZSA-N 2 0 238.375 1.759 20 0 BDADRP [NH3+]CCC[N@@H+]1CC[C@]2(CCc3ccccc32)C1 ZINC000872146247 589884661 /nfs/dbraw/zinc/88/46/61/589884661.db2.gz IZEVMYWIVFLSIW-OAHLLOKOSA-N 2 0 230.355 1.925 20 0 BDADRP [NH3+]CCC[N@@H+]1CC[C@@]2(CCc3ccccc32)C1 ZINC000872146246 589884916 /nfs/dbraw/zinc/88/49/16/589884916.db2.gz IZEVMYWIVFLSIW-HNNXBMFYSA-N 2 0 230.355 1.925 20 0 BDADRP COCC1([N@H+](C)CC[C@H]2CCC[NH2+]C2)CCC1 ZINC000872157083 589885827 /nfs/dbraw/zinc/88/58/27/589885827.db2.gz ISACZLAHGARBIQ-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@H](CC[NH+](C)C)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000872254226 589901532 /nfs/dbraw/zinc/90/15/32/589901532.db2.gz WXRYPDFWUCRLOA-CHWSQXEVSA-N 2 0 241.423 1.694 20 0 BDADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872289005 589906609 /nfs/dbraw/zinc/90/66/09/589906609.db2.gz VZOAZBZLCUTQMS-UTUOFQBUSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@@H](CCC[NH3+])NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872293010 589907274 /nfs/dbraw/zinc/90/72/74/589907274.db2.gz BKSLJCTWDJVBSM-TUAOUCFPSA-N 2 0 241.379 1.138 20 0 BDADRP C[C@H](CNc1cc[nH+]cc1C1CC1)C[NH+](C)C ZINC000872552445 589950044 /nfs/dbraw/zinc/95/00/44/589950044.db2.gz YJGWTAYPCZIQAP-LLVKDONJSA-N 2 0 233.359 1.991 20 0 BDADRP Cc1cccn2c(C[NH2+]C[C@H]3C[C@H](O)C3)cnc12 ZINC000873177244 589989981 /nfs/dbraw/zinc/98/99/81/589989981.db2.gz APNPVKZSVQWVFR-AULYBMBSSA-N 2 0 245.326 1.503 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)C1 ZINC000873215847 589998251 /nfs/dbraw/zinc/99/82/51/589998251.db2.gz FVSISNOIJJLSAX-IPBJVQQVSA-N 2 0 236.359 1.269 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccnn1C ZINC000873223835 590000767 /nfs/dbraw/zinc/00/07/67/590000767.db2.gz UAVXRYDTMMFNFD-ZDEQEGDKSA-N 2 0 248.374 1.459 20 0 BDADRP C[C@H](NC[C@@H]1CCC(C)(C)C[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000873236888 590004699 /nfs/dbraw/zinc/00/46/99/590004699.db2.gz KFWCFXBSGOJUTG-AVGNSLFASA-N 2 0 239.407 1.495 20 0 BDADRP CC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccncc1 ZINC000873248646 590007290 /nfs/dbraw/zinc/00/72/90/590007290.db2.gz CVPVLHZOBHXRSE-KGYLQXTDSA-N 2 0 219.332 1.860 20 0 BDADRP CCn1ccnc1[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873249106 590007484 /nfs/dbraw/zinc/00/74/84/590007484.db2.gz ILWIFQHFZFUXDT-GARJFASQSA-N 2 0 222.336 1.291 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCC12CCOCC2)C1C[NH2+]C1 ZINC000873249832 590007636 /nfs/dbraw/zinc/00/76/36/590007636.db2.gz CPWCZRMYMDOIPX-YPMHNXCESA-N 2 0 238.375 1.391 20 0 BDADRP CCn1ccnc1[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873249107 590007786 /nfs/dbraw/zinc/00/77/86/590007786.db2.gz ILWIFQHFZFUXDT-MXWKQRLJSA-N 2 0 222.336 1.291 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000873251037 590008158 /nfs/dbraw/zinc/00/81/58/590008158.db2.gz ICLSBLKVLBCXPC-XUXIUFHCSA-N 2 0 238.375 1.519 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873268606 590009614 /nfs/dbraw/zinc/00/96/14/590009614.db2.gz XZAZTWUBZISWND-HBNTYKKESA-N 2 0 214.353 1.388 20 0 BDADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CCCc3cccnc32)C1 ZINC000873255177 590010177 /nfs/dbraw/zinc/01/01/77/590010177.db2.gz CSNYUPLRTWPUNS-DRZSPHRISA-N 2 0 231.343 1.786 20 0 BDADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000873254499 590010257 /nfs/dbraw/zinc/01/02/57/590010257.db2.gz VJUXLGSPCLOTMB-TXEJJXNPSA-N 3 0 239.407 1.576 20 0 BDADRP CC(C)n1cc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cn1 ZINC000873254610 590010417 /nfs/dbraw/zinc/01/04/17/590010417.db2.gz YGRYHUZDECVWET-WZRBSPASSA-N 2 0 236.363 1.852 20 0 BDADRP Cc1ncc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)c(C)n1 ZINC000873254639 590010433 /nfs/dbraw/zinc/01/04/33/590010433.db2.gz YWXMNPGZYHGKHK-FXAINCCUSA-N 2 0 234.347 1.481 20 0 BDADRP C[C@H](CC1CCOCC1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873254470 590010453 /nfs/dbraw/zinc/01/04/53/590010453.db2.gz UMWMOSRFSMDNTM-RTXFEEFZSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cc2n(n1)CCC2 ZINC000873255878 590010741 /nfs/dbraw/zinc/01/07/41/590010741.db2.gz JPZCNWQIGUPONG-DCAQKATOSA-N 2 0 234.347 1.217 20 0 BDADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CCCc3n[nH]cc32)C1 ZINC000873255810 590011003 /nfs/dbraw/zinc/01/10/03/590011003.db2.gz IIROGXNOHVCPRI-QXEWZRGKSA-N 2 0 220.320 1.114 20 0 BDADRP COc1cccc(C[C@@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)n1 ZINC000873256896 590011764 /nfs/dbraw/zinc/01/17/64/590011764.db2.gz PTBBHKKYOVXRNE-IJLUTSLNSA-N 2 0 249.358 1.348 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccnn1C ZINC000873260999 590013750 /nfs/dbraw/zinc/01/37/50/590013750.db2.gz KARARZYXONWFTE-RVMXOQNASA-N 2 0 248.374 1.601 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873265755 590015029 /nfs/dbraw/zinc/01/50/29/590015029.db2.gz XNMVBVRIXYDHEF-NJMOYASZSA-N 2 0 226.364 1.530 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873265758 590015141 /nfs/dbraw/zinc/01/51/41/590015141.db2.gz XNMVBVRIXYDHEF-OFTGVCEQSA-N 2 0 226.364 1.530 20 0 BDADRP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1cnccc1N ZINC000873268938 590015428 /nfs/dbraw/zinc/01/54/28/590015428.db2.gz BDMPVJPBQGBFRP-GHMZBOCLSA-N 2 0 248.374 1.533 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCCc2n[nH]cc21)C1CC[NH2+]CC1 ZINC000873269123 590015493 /nfs/dbraw/zinc/01/54/93/590015493.db2.gz MHBDDXCAKABJDP-ZWNOBZJWSA-N 2 0 248.374 1.765 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCO[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000873268122 590015732 /nfs/dbraw/zinc/01/57/32/590015732.db2.gz RKFXUOIUTQSEEA-LOWVWBTDSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)[C@H]1CCC[NH2+]1 ZINC000873269588 590015778 /nfs/dbraw/zinc/01/57/78/590015778.db2.gz IFYDKCZDRMXBAK-NQBHXWOUSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@H]([NH2+][C@H]1CCCc2n[nH]cc21)C1CC[NH2+]CC1 ZINC000873271831 590015892 /nfs/dbraw/zinc/01/58/92/590015892.db2.gz MHBDDXCAKABJDP-GWCFXTLKSA-N 2 0 248.374 1.765 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+][C@@H](C)C2CC[NH2+]CC2)C1 ZINC000873272037 590016327 /nfs/dbraw/zinc/01/63/27/590016327.db2.gz OBJNQRZXTTYCFX-YUTCNCBUSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c1ccnn1C ZINC000873275908 590017452 /nfs/dbraw/zinc/01/74/52/590017452.db2.gz OTVXXKRQNHMTON-LPEHRKFASA-N 2 0 210.325 1.197 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000873281202 590018502 /nfs/dbraw/zinc/01/85/02/590018502.db2.gz HBNJYUIGONKYPF-PEDHHIEDSA-N 2 0 238.375 1.661 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](Cc2cccc(F)c2)C1 ZINC000020473631 590115712 /nfs/dbraw/zinc/11/57/12/590115712.db2.gz RCWSKJYCMLIVIN-LLVKDONJSA-N 2 0 208.280 1.606 20 0 BDADRP CCC(CC)(C[NH3+])NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000876531173 590210247 /nfs/dbraw/zinc/21/02/47/590210247.db2.gz XJLNLAKEFMUIJQ-XYPYZODXSA-N 2 0 241.379 1.138 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cccc(C[NH3+])c1 ZINC000877022528 590270556 /nfs/dbraw/zinc/27/05/56/590270556.db2.gz XXINELOOKUULLH-QWHCGFSZSA-N 2 0 247.342 1.016 20 0 BDADRP C[C@H]1CC[C@H](NC(=O)CCCCCC[NH3+])C[NH2+]1 ZINC000877048227 590274409 /nfs/dbraw/zinc/27/44/09/590274409.db2.gz IJCAIBJKXKEQIQ-RYUDHWBXSA-N 2 0 241.379 1.152 20 0 BDADRP C[C@H]1CC[C@H](NC(=O)c2cccc(C[NH3+])c2)C[NH2+]1 ZINC000877052204 590274895 /nfs/dbraw/zinc/27/48/95/590274895.db2.gz QGHHCRZUFLRLRG-GWCFXTLKSA-N 2 0 247.342 1.016 20 0 BDADRP C[C@@H]([NH3+])CN(C)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000877094732 590281788 /nfs/dbraw/zinc/28/17/88/590281788.db2.gz COFMZSXOBPAMGO-DGCLKSJQSA-N 2 0 249.358 1.272 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C(=O)N(C)C[C@H](C)[NH3+])cc1 ZINC000877104062 590284219 /nfs/dbraw/zinc/28/42/19/590284219.db2.gz AUNVUGNVWNZWTP-VHSXEESVSA-N 2 0 235.331 1.126 20 0 BDADRP C[C@H]([NH3+])CN(C)C(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000877105845 590285046 /nfs/dbraw/zinc/28/50/46/590285046.db2.gz SLEZGYNUIXTJCW-JQWIXIFHSA-N 2 0 241.379 1.090 20 0 BDADRP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)[C@@H]2C[C@H]([NH3+])C2)cc1 ZINC000877138146 590291010 /nfs/dbraw/zinc/29/10/10/590291010.db2.gz QDBDREFSXXRFFA-JULQROHOSA-N 2 0 245.326 1.177 20 0 BDADRP C[C@H]([NH3+])CC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877134560 590291176 /nfs/dbraw/zinc/29/11/76/590291176.db2.gz TWALOUXITLHCQM-KPXOXKRLSA-N 2 0 233.315 1.177 20 0 BDADRP C[C@@H]([NH3+])CCC(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000877150999 590292997 /nfs/dbraw/zinc/29/29/97/590292997.db2.gz BQDQCHZJDCNQPZ-GHMZBOCLSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCN2CCC[C@H]2C)CS1 ZINC000877154350 590293478 /nfs/dbraw/zinc/29/34/78/590293478.db2.gz OSFWNWKNYAGOQA-IJLUTSLNSA-N 2 0 228.405 1.954 20 0 BDADRP CC(C)([NH3+])CC(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877157920 590293815 /nfs/dbraw/zinc/29/38/15/590293815.db2.gz LRASFJCUEFLYOF-JTQLQIEISA-N 2 0 241.379 1.008 20 0 BDADRP CC[C@@H](C(=O)N(C)CCCCCC[NH3+])[NH+](C)C ZINC000877436986 590328037 /nfs/dbraw/zinc/32/80/37/590328037.db2.gz QXIZXPOXAKPYJH-LBPRGKRZSA-N 2 0 243.395 1.304 20 0 BDADRP CC(C)(C)CC[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000877665342 590388644 /nfs/dbraw/zinc/38/86/44/590388644.db2.gz RRLGLMPCGQNREG-LBPRGKRZSA-N 2 0 242.407 1.857 20 0 BDADRP CO[C@H](C)C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000877741282 590407972 /nfs/dbraw/zinc/40/79/72/590407972.db2.gz MKAOZVTZYPZFLU-UTUOFQBUSA-N 2 0 212.337 1.047 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+]([C@@H]3CCCC[C@H]3O)CC[C@@H]21 ZINC000879570791 590808695 /nfs/dbraw/zinc/80/86/95/590808695.db2.gz FTVMTJHFUJUMPN-XJFOESAGSA-N 2 0 238.375 1.316 20 0 BDADRP CC(C)C[N@H+](C[C@H](C)O)CC1CC[NH+](C)CC1 ZINC000879703670 590846819 /nfs/dbraw/zinc/84/68/19/590846819.db2.gz SKGMYDNEMQMIGP-ZDUSSCGKSA-N 2 0 242.407 1.667 20 0 BDADRP CN1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1(C)COC1 ZINC000880130032 590931145 /nfs/dbraw/zinc/93/11/45/590931145.db2.gz BSDAQRQNMLXTCM-RYUDHWBXSA-N 2 0 224.348 1.191 20 0 BDADRP FC[C@@H]1CC[NH+](CCC[N@H+]2CC[C@H](CF)C2)C1 ZINC000880298863 590992404 /nfs/dbraw/zinc/99/24/04/590992404.db2.gz LNROPGLYCIQGGF-BETUJISGSA-N 2 0 246.345 1.959 20 0 BDADRP COCCCC[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880473352 591053132 /nfs/dbraw/zinc/05/31/32/591053132.db2.gz WYWFWOVHPYVVJE-UHFFFAOYSA-N 2 0 240.391 1.973 20 0 BDADRP CC(C)c1c[nH]c(C[NH2+]CCCC[NH+](C)C)n1 ZINC000882940266 591479797 /nfs/dbraw/zinc/47/97/97/591479797.db2.gz PEDKWABCPQZHRU-UHFFFAOYSA-N 2 0 238.379 1.965 20 0 BDADRP CC[N@@H+]1CC[C@@H]1CNc1cc[nH+]cc1C1CC1 ZINC000882958634 591483880 /nfs/dbraw/zinc/48/38/80/591483880.db2.gz GIGMDBPEVYSDJH-GFCCVEGCSA-N 2 0 231.343 1.887 20 0 BDADRP Cn1cncc1CC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000883428185 591660037 /nfs/dbraw/zinc/66/00/37/591660037.db2.gz NOZFABQDYABUOP-AWEZNQCLSA-N 2 0 248.374 1.038 20 0 BDADRP C=C/C=C\CC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000883433387 591664394 /nfs/dbraw/zinc/66/43/94/591664394.db2.gz OTOLSKZXMAALFD-ARJAWSKDSA-N 2 0 206.333 1.947 20 0 BDADRP Cn1cncc1CC[N@H+](C)CCCCCC[NH3+] ZINC000883440850 591668869 /nfs/dbraw/zinc/66/88/69/591668869.db2.gz BAESFGZFHZETLQ-UHFFFAOYSA-N 2 0 238.379 1.414 20 0 BDADRP CCC(CC)(C[NH3+])NC(=O)[C@H](CC(C)C)[NH2+]C ZINC000884031383 591814815 /nfs/dbraw/zinc/81/48/15/591814815.db2.gz OAQSZHMVMBSCJG-NSHDSACASA-N 2 0 243.395 1.254 20 0 BDADRP [NH3+][C@H](CC1CC1)C(=O)N1CCC[C@@H]1c1ncc[nH]1 ZINC000884331449 591904913 /nfs/dbraw/zinc/90/49/13/591904913.db2.gz NVUAESSAUSCHPF-GHMZBOCLSA-N 2 0 248.330 1.201 20 0 BDADRP C[NH2+][C@@H](CC(C)C)C(=O)NCCCCCC[NH3+] ZINC000884374996 591919783 /nfs/dbraw/zinc/91/97/83/591919783.db2.gz IZXUEZGTQNYQAW-LBPRGKRZSA-N 2 0 243.395 1.256 20 0 BDADRP C[NH2+]C1CC[NH+](C[C@@H]2C[C@]23CCOC3)CC1 ZINC000886827625 592350262 /nfs/dbraw/zinc/35/02/62/592350262.db2.gz OKUSOSPLSYJPKG-AAEUAGOBSA-N 2 0 224.348 1.097 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2C[C@]23CCOC3)C[C@H]1C[NH3+] ZINC000886840343 592359762 /nfs/dbraw/zinc/35/97/62/592359762.db2.gz ZMGWDPQWFMAMKV-MQYQWHSLSA-N 2 0 238.375 1.330 20 0 BDADRP [NH3+][C@]12CCC[C@@H]1C[N@H+](C[C@H]1C[C@@]13CCOC3)C2 ZINC000886841271 592360069 /nfs/dbraw/zinc/36/00/69/592360069.db2.gz GTQZJBRKFVJXON-SYQHCUMBSA-N 2 0 236.359 1.226 20 0 BDADRP [NH3+]CCC1CC[NH+](C[C@@H]2C[C@@]23CCOC3)CC1 ZINC000886840262 592360649 /nfs/dbraw/zinc/36/06/49/592360649.db2.gz XWDUBWXGJSXPPM-UONOGXRCSA-N 2 0 238.375 1.474 20 0 BDADRP CCOCC[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886865320 592374192 /nfs/dbraw/zinc/37/41/92/592374192.db2.gz HHMLNJYWSIMMKS-ZDUSSCGKSA-N 2 0 226.364 1.489 20 0 BDADRP C([C@H]1CC[NH2+]C1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886865847 592374431 /nfs/dbraw/zinc/37/44/31/592374431.db2.gz WJDTUESFLMHZHP-UONOGXRCSA-N 2 0 237.391 1.062 20 0 BDADRP COC[C@@H](C)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886872477 592377751 /nfs/dbraw/zinc/37/77/51/592377751.db2.gz SYQZLIMOVJOACB-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)C3CC3)CC[C@@H]21 ZINC000220959011 592380160 /nfs/dbraw/zinc/38/01/60/592380160.db2.gz BRYMXAAMAAUUIW-HZSPNIEDSA-N 2 0 238.375 1.173 20 0 BDADRP C[C@@H](O)CC[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887134853 592450074 /nfs/dbraw/zinc/45/00/74/592450074.db2.gz RCQFNHRNXSUIBW-QWHCGFSZSA-N 2 0 249.358 1.363 20 0 BDADRP CC(C)[N@H+](C)CCCNC(=[NH2+])NC(C)(C)C ZINC000221874984 592455212 /nfs/dbraw/zinc/45/52/12/592455212.db2.gz NPEFIFNKULZSPU-UHFFFAOYSA-N 2 0 228.384 1.629 20 0 BDADRP CCCNC(=[NH2+])NCCC[N@H+](C)C(C)C ZINC000221874829 592455821 /nfs/dbraw/zinc/45/58/21/592455821.db2.gz ZYLXGGXQXCOURR-UHFFFAOYSA-N 2 0 214.357 1.241 20 0 BDADRP C[NH+]1CCC(C)(CNC(=[NH2+])NCC2CC2)CC1 ZINC000887356416 592488347 /nfs/dbraw/zinc/48/83/47/592488347.db2.gz BVPCINCQLJNPIT-UHFFFAOYSA-N 2 0 238.379 1.242 20 0 BDADRP CC1(C)CCC[N@@H+]1CCNC(=[NH2+])NCC1CC1 ZINC000887361736 592490773 /nfs/dbraw/zinc/49/07/73/592490773.db2.gz IAAHDYVPBDJYOH-UHFFFAOYSA-N 2 0 238.379 1.385 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000925703379 634380339 /nfs/dbraw/zinc/38/03/39/634380339.db2.gz DKCSTZNLFALUBQ-XQHKEYJVSA-N 3 0 237.391 1.105 20 0 BDADRP C1CC2(C1)C[C@@H](N[C@H]1CC[NH2+]C13CCC3)CC[NH2+]2 ZINC000925707299 634393276 /nfs/dbraw/zinc/39/32/76/634393276.db2.gz OZISKGAAFSVMID-STQMWFEESA-N 2 0 249.402 1.535 20 0 BDADRP C[C@@H](N[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)[C@H](C)[NH3+] ZINC000925707538 634395203 /nfs/dbraw/zinc/39/52/03/634395203.db2.gz LBWPGZUJPSXJHQ-MTVMDMGHSA-N 2 0 225.380 1.088 20 0 BDADRP CO[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000299917349 634402663 /nfs/dbraw/zinc/40/26/63/634402663.db2.gz UBUYTTRFZILUEK-GRYCIOLGSA-N 2 0 212.337 1.225 20 0 BDADRP Cc1ccncc1CC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925709587 634407026 /nfs/dbraw/zinc/40/70/26/634407026.db2.gz VMUFHQWEUSUQML-ZIAGYGMSSA-N 2 0 245.370 1.792 20 0 BDADRP COCC1(C[NH2+][C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925711057 634410683 /nfs/dbraw/zinc/41/06/83/634410683.db2.gz CYNBLFPKFMMPDB-SNVBAGLBSA-N 2 0 212.337 1.143 20 0 BDADRP COCCCC[NH2+]CC1CC[NH+](C)CC1 ZINC000054243720 634413728 /nfs/dbraw/zinc/41/37/28/634413728.db2.gz DKBVONLUTRWGRI-UHFFFAOYSA-N 2 0 214.353 1.344 20 0 BDADRP CC(C)(F)CC[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2 ZINC000925711660 634412894 /nfs/dbraw/zinc/41/28/94/634412894.db2.gz UXIBWLQUSCNNFH-CDECOKDKSA-N 2 0 244.354 1.467 20 0 BDADRP C[C@@H](C[NH2+][C@H]1COCC1(C)C)C[NH+]1CCCC1 ZINC000313024123 634439122 /nfs/dbraw/zinc/43/91/22/634439122.db2.gz BQTNZSUUZZYGOW-STQMWFEESA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1COCC1(C)C ZINC000313029523 634439876 /nfs/dbraw/zinc/43/98/76/634439876.db2.gz HRMCAUJQBHHLSL-WDEREUQCSA-N 2 0 214.353 1.341 20 0 BDADRP C[NH2+]C[C@H](C)[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000925715653 634443020 /nfs/dbraw/zinc/44/30/20/634443020.db2.gz GNKVQDSUTSPEIS-WUHRBBMRSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@@H]([NH3+])[C@@H](NC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000925716567 634446361 /nfs/dbraw/zinc/44/63/61/634446361.db2.gz AACJZCUQYCLISH-VHDGCEQUSA-N 2 0 247.386 1.759 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2CCCOC2)C[C@H]1C[NH3+] ZINC000253179353 634516233 /nfs/dbraw/zinc/51/62/33/634516233.db2.gz CUAWNJXQLKRCRC-FRRDWIJNSA-N 2 0 226.364 1.330 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCCN[C@H]1C)C1CC[NH2+]CC1 ZINC000925728434 634529269 /nfs/dbraw/zinc/52/92/69/634529269.db2.gz VDQBRIGLPZNCIK-MDZLAQPJSA-N 2 0 225.380 1.105 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000310112119 634540386 /nfs/dbraw/zinc/54/03/86/634540386.db2.gz ATLNQEFCEUBUQM-MRVWCRGKSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@@H]([NH2+]CC1(CC2CC2)CC1)C1C[NH2+]C1 ZINC000925734187 634582974 /nfs/dbraw/zinc/58/29/74/634582974.db2.gz OABLOOFXCIXVCH-SNVBAGLBSA-N 2 0 208.349 1.764 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCCOC1 ZINC000925799435 635342487 /nfs/dbraw/zinc/34/24/87/635342487.db2.gz UYVQXAFCGLGVNY-AAVRWANBSA-N 2 0 240.391 1.637 20 0 BDADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ncc[nH]1 ZINC000124833268 635577600 /nfs/dbraw/zinc/57/76/00/635577600.db2.gz IFSCPXFJLBIAAI-IDKOKCKLSA-N 2 0 208.309 1.330 20 0 BDADRP CN(C(=O)CCCCCC[NH3+])C1CC[NH2+]CC1 ZINC000237065389 635610725 /nfs/dbraw/zinc/61/07/25/635610725.db2.gz MTWDLDQFSNGXBQ-UHFFFAOYSA-N 2 0 241.379 1.106 20 0 BDADRP CC[C@H]1CCN(C[C@@H]([NH3+])CC(F)F)C1 ZINC000308469164 631354900 /nfs/dbraw/zinc/35/49/00/631354900.db2.gz IDBQEFIUGMKPSS-IUCAKERBSA-N 2 0 206.280 1.701 20 0 BDADRP CO[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC000893899531 635634732 /nfs/dbraw/zinc/63/47/32/635634732.db2.gz CUMCUJJSPBGXBU-GXTWGEPZSA-N 2 0 240.391 1.685 20 0 BDADRP CC1CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000309058471 631832104 /nfs/dbraw/zinc/83/21/04/631832104.db2.gz AVQSJYKPYOACFM-CYBMUJFWSA-N 2 0 226.364 1.175 20 0 BDADRP OCCCCCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000309251976 631981357 /nfs/dbraw/zinc/98/13/57/631981357.db2.gz FFHAXUJTUWOQAV-STQMWFEESA-N 2 0 226.364 1.223 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2OC)C1 ZINC000309372306 632026538 /nfs/dbraw/zinc/02/65/38/632026538.db2.gz POEMHOXNCQWNIT-JHJVBQTASA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+](C)C[C@@H]2CCCCO2)CC[NH2+]1 ZINC000235365208 632027013 /nfs/dbraw/zinc/02/70/13/632027013.db2.gz OMLAMBOTMLBEOH-MCIONIFRSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)NC(=[NH2+])NC[C@@H](C)C[NH+]1CCCCC1 ZINC000052042981 632053991 /nfs/dbraw/zinc/05/39/91/632053991.db2.gz PCKKUJIUHRFPOE-GFCCVEGCSA-N 2 0 240.395 1.631 20 0 BDADRP [NH2+]=C(NCC[NH+]1CCCCC1)NC1CCCC1 ZINC000052048207 632055561 /nfs/dbraw/zinc/05/55/61/632055561.db2.gz CZHYRCOQCUWELO-UHFFFAOYSA-N 2 0 238.379 1.529 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000250605695 635699500 /nfs/dbraw/zinc/69/95/00/635699500.db2.gz LEPJDCJKGYXEEW-JHJVBQTASA-N 2 0 226.364 1.485 20 0 BDADRP CCSCC[N@H+](C)C1CCC([NH3+])CC1 ZINC000158583867 632476795 /nfs/dbraw/zinc/47/67/95/632476795.db2.gz AELYHBNPLFGPTC-UHFFFAOYSA-N 2 0 216.394 1.941 20 0 BDADRP [NH3+]CC(C[NH3+])NCc1ccc(Cl)c(Cl)c1 ZINC000309582249 632550931 /nfs/dbraw/zinc/55/09/31/632550931.db2.gz SWAIBZNPBLSPEL-UHFFFAOYSA-N 2 0 248.157 1.369 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](N(C)C)C2)CC[NH2+]1 ZINC000235368227 632680577 /nfs/dbraw/zinc/68/05/77/632680577.db2.gz BCMKPXANTOKINI-MGPQQGTHSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000310064663 632697235 /nfs/dbraw/zinc/69/72/35/632697235.db2.gz OZNOFEVCEPWIHF-JWURUJNWSA-N 2 0 238.375 1.626 20 0 BDADRP C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CCCCCC[NH3+] ZINC000310182600 632706839 /nfs/dbraw/zinc/70/68/39/632706839.db2.gz WSLNZONMQZWKOC-RYUDHWBXSA-N 2 0 241.379 1.091 20 0 BDADRP CC(C)NC(=[NH2+])NCC(C)(C)C[NH+](C)C ZINC000052040969 632780677 /nfs/dbraw/zinc/78/06/77/632780677.db2.gz RKYLSTHABWGQBN-UHFFFAOYSA-N 2 0 214.357 1.097 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cc[nH]c(=O)c1 ZINC000926667026 632794146 /nfs/dbraw/zinc/79/41/46/632794146.db2.gz XOBDEBSPSMETMM-WZRBSPASSA-N 2 0 249.358 1.778 20 0 BDADRP C=CCNC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000066245117 632860256 /nfs/dbraw/zinc/86/02/56/632860256.db2.gz SVUREELOBFHBPV-GFCCVEGCSA-N 2 0 238.379 1.197 20 0 BDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(NC)=[NH+]C ZINC000066245828 632861037 /nfs/dbraw/zinc/86/10/37/632861037.db2.gz TYSPCZOHENPYQX-GFCCVEGCSA-N 2 0 240.395 1.436 20 0 BDADRP CN(C[C@H]1CCC[N@@H+]1C)c1cc[nH+]cc1CO ZINC000126533735 635851450 /nfs/dbraw/zinc/85/14/50/635851450.db2.gz VIKTYOLXVNNTAF-GFCCVEGCSA-N 2 0 235.331 1.104 20 0 BDADRP CC(C)(C)[NH2+]Cc1cn(CC(C)(C)C[NH3+])nn1 ZINC000320224787 636140133 /nfs/dbraw/zinc/14/01/33/636140133.db2.gz UHEBEJATBIUMAH-UHFFFAOYSA-N 2 0 239.367 1.151 20 0 BDADRP CC1(C)CC[C@@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328512294 633776394 /nfs/dbraw/zinc/77/63/94/633776394.db2.gz CAQNQAXUZWHVPB-MCDVFOBDSA-N 2 0 220.360 1.761 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328564649 633776411 /nfs/dbraw/zinc/77/64/11/633776411.db2.gz KRMAPPCQACORNU-GYFJUXSHSA-N 2 0 206.333 1.228 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCN2CCCC2)C1 ZINC000925509290 633846430 /nfs/dbraw/zinc/84/64/30/633846430.db2.gz NCWUMTLUNYWNKR-STQMWFEESA-N 2 0 239.407 1.578 20 0 BDADRP CC1(C)[C@H]([NH2+]CCn2ccnc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925510816 633850720 /nfs/dbraw/zinc/85/07/20/633850720.db2.gz ZQJSGGNNVDYIDR-FRRDWIJNSA-N 2 0 248.374 1.249 20 0 BDADRP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925511008 633851373 /nfs/dbraw/zinc/85/13/73/633851373.db2.gz DKVNANZJTSIHGE-RWMBFGLXSA-N 2 0 240.391 1.658 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@@H](CO)C2CC2)CC1 ZINC000309657564 633984255 /nfs/dbraw/zinc/98/42/55/633984255.db2.gz ZYWJLMKQOXZFDN-ZDUSSCGKSA-N 2 0 226.364 1.220 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CC[C@H]3COC[C@H]3C2)CC1 ZINC000895442712 636145358 /nfs/dbraw/zinc/14/53/58/636145358.db2.gz KIIUVAXSUPZHNS-UONOGXRCSA-N 2 0 238.375 1.297 20 0 BDADRP Cc1cc(C[C@H](C)[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)[nH]n1 ZINC000925619548 634175495 /nfs/dbraw/zinc/17/54/95/634175495.db2.gz OVRDUQVKTNYJCG-XDTLVQLUSA-N 2 0 248.374 1.509 20 0 BDADRP CCC[C@H](CCO)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925620779 634179466 /nfs/dbraw/zinc/17/94/66/634179466.db2.gz BGRVMQXDIARQLH-CHWSQXEVSA-N 2 0 240.391 1.659 20 0 BDADRP CO[C@H](C)C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925645213 634197190 /nfs/dbraw/zinc/19/71/90/634197190.db2.gz OSFXFJSYYKNPEP-XBFCOCLRSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@H]1OCC[C@H]1[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925676354 634266151 /nfs/dbraw/zinc/26/61/51/634266151.db2.gz ZXFCVDASATWSRD-DDHJBXDOSA-N 2 0 226.364 1.659 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)C1CC1 ZINC000925676235 634267242 /nfs/dbraw/zinc/26/72/42/634267242.db2.gz QBYIBYXCESSOSG-YNEHKIRRSA-N 2 0 240.391 1.907 20 0 BDADRP C[C@@H](CCCCO)[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925679018 634277252 /nfs/dbraw/zinc/27/72/52/634277252.db2.gz HCZBXXGNURQEBP-QWHCGFSZSA-N 2 0 240.391 1.802 20 0 BDADRP CC(C)(CO)CC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925681387 634281215 /nfs/dbraw/zinc/28/12/15/634281215.db2.gz YAPKVCRRGGRVQP-JTQLQIEISA-N 2 0 214.353 1.125 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@H]1CC12CCOCC2 ZINC000925682123 634285515 /nfs/dbraw/zinc/28/55/15/634285515.db2.gz SZQWTKZTAYSGOP-VXGBXAGGSA-N 2 0 238.375 1.533 20 0 BDADRP C[NH2+]CCCN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925687761 634304826 /nfs/dbraw/zinc/30/48/26/634304826.db2.gz AVYINTQJRMJZIS-KBPBESRZSA-N 2 0 239.407 1.354 20 0 BDADRP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)[C@H](O)C(C)C ZINC000925691535 634317435 /nfs/dbraw/zinc/31/74/35/634317435.db2.gz OGTKCHRUSRYMLS-WUHRBBMRSA-N 2 0 240.391 1.641 20 0 BDADRP C[C@@H]([NH3+])[C@H](NCC[NH2+]C1CC1)c1ccccc1 ZINC000925692532 634324627 /nfs/dbraw/zinc/32/46/27/634324627.db2.gz MFGLCPOMZYGNSY-RISCZKNCSA-N 2 0 233.359 1.417 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1NC1C[C@H]3CC[C@@H](C1)[NH2+]3)[NH2+]2 ZINC000925693259 634327205 /nfs/dbraw/zinc/32/72/05/634327205.db2.gz QWGRMAMMBJBRNT-JXCADXASSA-N 3 0 249.402 1.388 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1NCC1([NH3+])CCCCC1 ZINC000925695624 634343453 /nfs/dbraw/zinc/34/34/53/634343453.db2.gz XIIAQGQXWOMDBT-NSHDSACASA-N 2 0 225.380 1.378 20 0 BDADRP [NH3+]CCC[C@@H](NC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000925695766 634355644 /nfs/dbraw/zinc/35/56/44/634355644.db2.gz WUOTZRJXZLOLLV-HUUCEWRRSA-N 2 0 247.386 1.808 20 0 BDADRP CCC([NH3+])(CC)CN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925696827 634358990 /nfs/dbraw/zinc/35/89/90/634358990.db2.gz BFMJUDPQNYGRDS-WDEREUQCSA-N 2 0 225.380 1.363 20 0 BDADRP [NH3+]CCC[C@H]([NH2+]C[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000925698055 634359731 /nfs/dbraw/zinc/35/97/31/634359731.db2.gz HTESZPXUBWJLPQ-ZFWWWQNUSA-N 3 0 247.386 1.666 20 0 BDADRP [NH3+]CCC[C@@H]([NH2+]C[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000925698052 634360226 /nfs/dbraw/zinc/36/02/26/634360226.db2.gz HTESZPXUBWJLPQ-DZGCQCFKSA-N 3 0 247.386 1.666 20 0 BDADRP C[C@]1(CN[C@@H]2C[C@H]([NH3+])C23CCC3)CCC[NH2+]C1 ZINC000925697582 634360277 /nfs/dbraw/zinc/36/02/77/634360277.db2.gz GTOHXZWTWUMQOH-XQQFMLRXSA-N 2 0 237.391 1.236 20 0 BDADRP C[NH2+][C@H](C)CN[C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925698193 634362344 /nfs/dbraw/zinc/36/23/44/634362344.db2.gz CSVXPZLSMHLLLD-NQBHXWOUSA-N 2 0 221.348 1.272 20 0 BDADRP CC(C)([NH3+])CN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925699365 634366222 /nfs/dbraw/zinc/36/62/22/634366222.db2.gz OHZKAOZUIPMKDV-VHSXEESVSA-N 2 0 213.369 1.219 20 0 BDADRP CC(C)([NH3+])CN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925699181 634366311 /nfs/dbraw/zinc/36/63/11/634366311.db2.gz NTNKDYXXVIKEHJ-OLZOCXBDSA-N 2 0 239.407 1.482 20 0 BDADRP C[C@@H]([NH3+])[C@@H](NCC(C)(C)[NH3+])c1ccccc1 ZINC000925699730 634367721 /nfs/dbraw/zinc/36/77/21/634367721.db2.gz QEEIWDPWNMWBMQ-ZYHUDNBSSA-N 2 0 221.348 1.402 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](N[C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925700516 634371255 /nfs/dbraw/zinc/37/12/55/634371255.db2.gz QTPURTUBPRVSDF-FRRDWIJNSA-N 2 0 237.391 1.521 20 0 BDADRP CC(C)[C@H](CO)C[NH2+]CC1CC[NH+](C)CC1 ZINC000258924402 635225054 /nfs/dbraw/zinc/22/50/54/635225054.db2.gz HDPOLJBJIGHGIN-ZDUSSCGKSA-N 2 0 228.380 1.182 20 0 BDADRP [NH3+]CCN1CCC([NH2+]C2CCCCC2)CC1 ZINC000259161643 635246455 /nfs/dbraw/zinc/24/64/55/635246455.db2.gz GCDZWGBARCKWNU-UHFFFAOYSA-N 2 0 225.380 1.332 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CCCOC1 ZINC000925799439 635343564 /nfs/dbraw/zinc/34/35/64/635343564.db2.gz UYVQXAFCGLGVNY-SYQHCUMBSA-N 2 0 240.391 1.637 20 0 BDADRP CCc1onc(C)c1C[NH2+]C1CCC([NH3+])CC1 ZINC000925891562 635618202 /nfs/dbraw/zinc/61/82/02/635618202.db2.gz VUPUSLQAHISHPW-UHFFFAOYSA-N 2 0 237.347 1.905 20 0 BDADRP C[C@H]1[C@@H](CO)CCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000894939427 636009727 /nfs/dbraw/zinc/00/97/27/636009727.db2.gz KOCNALOUFCNCJE-GXTWGEPZSA-N 2 0 240.391 1.421 20 0 BDADRP CCN(CC)C[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000054243839 636245197 /nfs/dbraw/zinc/24/51/97/636245197.db2.gz IEWPMPVMNYQKGQ-ZDUSSCGKSA-N 2 0 241.423 1.648 20 0 BDADRP C[C@H]1C[N@H+](CCC[NH3+])Cc2ccccc21 ZINC000082791066 636447383 /nfs/dbraw/zinc/44/73/83/636447383.db2.gz KUENAXTYIDPLEB-NSHDSACASA-N 2 0 204.317 1.955 20 0 BDADRP CSC[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000127377729 636474894 /nfs/dbraw/zinc/47/48/94/636474894.db2.gz JAYDXGNKKATPHC-JTQLQIEISA-N 2 0 216.394 1.669 20 0 BDADRP C[C@H]1COCC[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251669669 636764026 /nfs/dbraw/zinc/76/40/26/636764026.db2.gz HHLJACIXQWRZSB-FUDCBSFHSA-N 2 0 238.375 1.628 20 0 BDADRP C[N@@H+]1CC[C@@H]2CN(CC[C@@H]3CC[NH2+]C3)CC[C@@H]21 ZINC000866704482 636933469 /nfs/dbraw/zinc/93/34/69/636933469.db2.gz VQLDGESQWHWNFG-MJBXVCDLSA-N 2 0 237.391 1.012 20 0 BDADRP CN(CCC[NH+](C)C)C(=O)CC[NH2+]C(C)(C)C ZINC000111137689 636936409 /nfs/dbraw/zinc/93/64/09/636936409.db2.gz PLVSWNVFLWEJND-UHFFFAOYSA-N 2 0 243.395 1.175 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc[nH]c(=O)c2)C1 ZINC000924704249 637012098 /nfs/dbraw/zinc/01/20/98/637012098.db2.gz CDSPJNFJYRBPCI-VXGBXAGGSA-N 2 0 249.358 1.780 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)C(C)(C)CO)C1 ZINC000924706590 637014996 /nfs/dbraw/zinc/01/49/96/637014996.db2.gz QEDGGYVBSQOTEG-RYUDHWBXSA-N 2 0 228.380 1.325 20 0 BDADRP C[C@](O)(C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)C1CC1 ZINC000902362712 637298108 /nfs/dbraw/zinc/29/81/08/637298108.db2.gz ZCHAZWDIVPHFTF-JSGCOSHPSA-N 2 0 240.391 1.515 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCCF)C1 ZINC000902362894 637298848 /nfs/dbraw/zinc/29/88/48/637298848.db2.gz SVWFEIIEBPZTCL-JTQLQIEISA-N 2 0 202.317 1.714 20 0 BDADRP C[C@H](CCO)C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902362499 637300913 /nfs/dbraw/zinc/30/09/13/637300913.db2.gz XLTPAPHUTICIDN-VXGBXAGGSA-N 2 0 228.380 1.373 20 0 BDADRP CCn1cnc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000902615903 637314691 /nfs/dbraw/zinc/31/46/91/637314691.db2.gz MYFFHOCXFRYIJX-BJHJDKERSA-N 2 0 236.363 1.333 20 0 BDADRP CCCC[N@H+](CCOC)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903437157 637360203 /nfs/dbraw/zinc/36/02/03/637360203.db2.gz GJESACUVFSZDBQ-OLZOCXBDSA-N 2 0 228.380 1.590 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H](C)[C@H]1CCO ZINC000903463633 637364797 /nfs/dbraw/zinc/36/47/97/637364797.db2.gz HDQFLIYVWHUHKF-YIYPIFLZSA-N 2 0 240.391 1.325 20 0 BDADRP COc1ccc(C[N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)cn1 ZINC000903463779 637364806 /nfs/dbraw/zinc/36/48/06/637364806.db2.gz MHFPONISIKPZIR-YPMHNXCESA-N 2 0 249.358 1.649 20 0 BDADRP C[C@@]12COC[C@H]1C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C2 ZINC000903463756 637365348 /nfs/dbraw/zinc/36/53/48/637365348.db2.gz LQYVGQDLGQRNSU-FVCCEPFGSA-N 2 0 224.348 1.082 20 0 BDADRP CCCC[N@H+](CC)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903719080 637377099 /nfs/dbraw/zinc/37/70/99/637377099.db2.gz VARZPXGGQFDFOA-ZIAGYGMSSA-N 2 0 240.391 1.877 20 0 BDADRP CCCC[N@H+](CC)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903719078 637377288 /nfs/dbraw/zinc/37/72/88/637377288.db2.gz VARZPXGGQFDFOA-KGLIPLIRSA-N 2 0 240.391 1.877 20 0 BDADRP CC[N@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903724848 637379793 /nfs/dbraw/zinc/37/97/93/637379793.db2.gz RDCWNYPZWBOXGB-QWHCGFSZSA-N 2 0 224.348 1.239 20 0 BDADRP CC[N@H+](CC(C)C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722955 637379820 /nfs/dbraw/zinc/37/98/20/637379820.db2.gz QWQVROUTYHXAOZ-ZIAGYGMSSA-N 2 0 240.391 1.733 20 0 BDADRP C(CN1CCC[C@]12CC[NH2+]C2)[C@H]1CCC[NH2+]C1 ZINC000903867318 637386487 /nfs/dbraw/zinc/38/64/87/637386487.db2.gz PDAIBUKFUDFEHY-ZIAGYGMSSA-N 2 0 237.391 1.204 20 0 BDADRP CCc1noc([C@H]2CC[C@H]([NH2+]CCC[NH3+])C2)n1 ZINC000904428122 637399103 /nfs/dbraw/zinc/39/91/03/637399103.db2.gz DPASUTVFBBINRI-UWVGGRQHSA-N 2 0 238.335 1.207 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)NC(CC)(CC)C[NH3+] ZINC000904925047 637528510 /nfs/dbraw/zinc/52/85/10/637528510.db2.gz CWRNEBULPFPRFC-LLVKDONJSA-N 2 0 229.368 1.138 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000904931428 637534012 /nfs/dbraw/zinc/53/40/12/637534012.db2.gz KZRPTDBRMNHMOV-YPMHNXCESA-N 2 0 241.379 1.234 20 0 BDADRP C[NH2+][C@@H](C)Cc1noc([C@H](CC(C)C)[NH2+]C)n1 ZINC000905304909 637762671 /nfs/dbraw/zinc/76/26/71/637762671.db2.gz OFEMTUMNFVQDEG-UWVGGRQHSA-N 2 0 240.351 1.527 20 0 BDADRP C[NH2+]CCCCc1nc([C@H]2CCC[NH2+]2)no1 ZINC000905305872 637764800 /nfs/dbraw/zinc/76/48/00/637764800.db2.gz YMQFAXZRNGJUQX-SECBINFHSA-N 2 0 224.308 1.036 20 0 BDADRP CC(C)(C[NH2+]C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000905640328 637879603 /nfs/dbraw/zinc/87/96/03/637879603.db2.gz KUAPBJLDVDXOAR-CYBMUJFWSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CSCC1CC[NH2+]CC1 ZINC000905734993 637902731 /nfs/dbraw/zinc/90/27/31/637902731.db2.gz NBWDCDKTBKGRDP-PWSUYJOCSA-N 2 0 228.405 1.575 20 0 BDADRP [NH3+][C@H]1C[C@H](NCc2c[nH]c(-c3ccccc3)n2)C1 ZINC000906507540 638180339 /nfs/dbraw/zinc/18/03/39/638180339.db2.gz ADVQXJUQDKQKIQ-HAQNSBGRSA-N 2 0 242.326 1.656 20 0 BDADRP [NH3+]C1CC([NH2+]Cc2cc(F)cc3cccnc32)C1 ZINC000906510719 638184021 /nfs/dbraw/zinc/18/40/21/638184021.db2.gz SCFCQDMCDFZSLD-UHFFFAOYSA-N 2 0 245.301 1.953 20 0 BDADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NC1CC([NH3+])C1 ZINC000906509964 638184416 /nfs/dbraw/zinc/18/44/16/638184416.db2.gz GHRPOHNJCQIUEL-QCXCNERSSA-N 2 0 225.380 1.377 20 0 BDADRP [NH3+]C1CC([NH2+]Cc2cccc3c2CCC3)C1 ZINC000906511519 638185219 /nfs/dbraw/zinc/18/52/19/638185219.db2.gz YTVFLNFTSAYVHG-UHFFFAOYSA-N 2 0 216.328 1.755 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2cc(-n3ccnc3)cs2)C1 ZINC000906516294 638186224 /nfs/dbraw/zinc/18/62/24/638186224.db2.gz BEWNUGIABXWLEX-MGCOHNPYSA-N 2 0 248.355 1.513 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc3c2NCC3)C1 ZINC000906518555 638188400 /nfs/dbraw/zinc/18/84/00/638188400.db2.gz ZYUFEMLHWGOYFD-HAQNSBGRSA-N 2 0 217.316 1.234 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc3c2CCC3)C1 ZINC000906519335 638189986 /nfs/dbraw/zinc/18/99/86/638189986.db2.gz YTVFLNFTSAYVHG-JOCQHMNTSA-N 2 0 216.328 1.755 20 0 BDADRP CCCC[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000906529678 638194694 /nfs/dbraw/zinc/19/46/94/638194694.db2.gz RWJGZCYUYMGZFK-CYBMUJFWSA-N 2 0 228.380 1.613 20 0 BDADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCN(C)C1 ZINC000906500767 638194858 /nfs/dbraw/zinc/19/48/58/638194858.db2.gz NNGJWHXGCDSOGU-AAEUAGOBSA-N 2 0 248.374 1.203 20 0 BDADRP CCCC[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000906535033 638202414 /nfs/dbraw/zinc/20/24/14/638202414.db2.gz ZORZCKQISCRMPX-ZDUSSCGKSA-N 2 0 229.412 1.648 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)CO1)C1C[NH2+]C1 ZINC000711241537 711459586 /nfs/dbraw/zinc/45/95/86/711459586.db2.gz XHCWLYYGPIALQM-PWSUYJOCSA-N 2 0 226.364 1.389 20 0 BDADRP [NH3+]CCCNC(=O)CCCCC1CC[NH2+]CC1 ZINC000911648017 639701884 /nfs/dbraw/zinc/70/18/84/639701884.db2.gz MCQOHZCCKTVUAB-UHFFFAOYSA-N 2 0 241.379 1.011 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)N[C@](C)(C[NH3+])C(C)C ZINC000911834518 639845633 /nfs/dbraw/zinc/84/56/33/639845633.db2.gz VNJSVOVTMFIGKL-WCQYABFASA-N 2 0 243.395 1.240 20 0 BDADRP C[C@H](C1CC1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000931076045 640059212 /nfs/dbraw/zinc/05/92/12/640059212.db2.gz MWLNFGIUDMBZGI-OCCSQVGLSA-N 2 0 240.391 1.828 20 0 BDADRP CC(C)=CC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000931430417 640198723 /nfs/dbraw/zinc/19/87/23/640198723.db2.gz BOEPJMDHUBKPKF-OLZOCXBDSA-N 2 0 208.349 1.836 20 0 BDADRP CO[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)C1 ZINC000931435624 640201454 /nfs/dbraw/zinc/20/14/54/640201454.db2.gz BVHLQKKKNZAMSU-RFQIPJPRSA-N 2 0 238.375 1.437 20 0 BDADRP C[C@H]1CC[C@@H](C[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)O1 ZINC000931435556 640203607 /nfs/dbraw/zinc/20/36/07/640203607.db2.gz FZHWFNXGFMGCER-FQUUOJAGSA-N 2 0 238.375 1.437 20 0 BDADRP COCC[C@@H](C)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931438022 640203625 /nfs/dbraw/zinc/20/36/25/640203625.db2.gz XXBZPYJPAPMTET-FRRDWIJNSA-N 2 0 226.364 1.295 20 0 BDADRP COCC[C@@H](C)[N@@H+]1CCc2nccc(N)c2C1 ZINC000931512167 640241238 /nfs/dbraw/zinc/24/12/38/640241238.db2.gz FYFMBXSKLDYGLP-SNVBAGLBSA-N 2 0 235.331 1.447 20 0 BDADRP CC[C@H](O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000151146262 640314526 /nfs/dbraw/zinc/31/45/26/640314526.db2.gz BQQRLVDZLLNOBY-KBPBESRZSA-N 2 0 240.391 1.708 20 0 BDADRP CC[C@H](CO)[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000931700590 640324546 /nfs/dbraw/zinc/32/45/46/640324546.db2.gz QKKJVCBHOIGKNJ-GFCCVEGCSA-N 2 0 226.364 1.318 20 0 BDADRP C[NH+]1CCC(C[NH2+]Cc2ccco2)CC1 ZINC000044515383 640399231 /nfs/dbraw/zinc/39/92/31/640399231.db2.gz DVDZBXXEHABKAP-UHFFFAOYSA-N 2 0 208.305 1.711 20 0 BDADRP C[NH+](C)C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000036192424 640402413 /nfs/dbraw/zinc/40/24/13/640402413.db2.gz GUOBNCVYSPCYRX-UHFFFAOYSA-N 3 0 225.380 1.012 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCc2cccs2)C1 ZINC000166225221 640622323 /nfs/dbraw/zinc/62/23/23/640622323.db2.gz YKBMRYUAWACJOY-WDEREUQCSA-N 2 0 224.373 1.960 20 0 BDADRP CCC(=O)CC[N@@H+]1C[C@@H]2CN(C)C[C@]2(C)C1 ZINC000933731619 640753655 /nfs/dbraw/zinc/75/36/55/640753655.db2.gz DZIBFNLTWKHXBG-WCQYABFASA-N 2 0 224.348 1.239 20 0 BDADRP CO[C@@H](C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)C1CC1 ZINC000933734218 640756383 /nfs/dbraw/zinc/75/63/83/640756383.db2.gz QLHOVWFSTOCEMX-MELADBBJSA-N 2 0 238.375 1.295 20 0 BDADRP CSCCC[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933739407 640758958 /nfs/dbraw/zinc/75/89/58/640758958.db2.gz IHAKWDWOILHZRT-NWDGAFQWSA-N 2 0 228.405 1.623 20 0 BDADRP CC[C@@H](C)C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933735170 640760934 /nfs/dbraw/zinc/76/09/34/640760934.db2.gz GDAFVMRAMPUTSN-FRRDWIJNSA-N 2 0 210.365 1.916 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)[C@@H]1CCCO1 ZINC000227253066 640823182 /nfs/dbraw/zinc/82/31/82/640823182.db2.gz RIVKJPUIJOZSRG-SRVKXCTJSA-N 2 0 212.337 1.286 20 0 BDADRP CC[NH+](CC)[C@H]1CCN(C[C@H]2CCC[NH2+]2)C1 ZINC000227649483 640844399 /nfs/dbraw/zinc/84/43/99/640844399.db2.gz NLWBTGLBVAVVPB-OLZOCXBDSA-N 2 0 225.380 1.155 20 0 BDADRP CC(C)CCOCC[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000227766918 640848356 /nfs/dbraw/zinc/84/83/56/640848356.db2.gz MUKPWTNRVOGLLA-KBPBESRZSA-N 2 0 242.407 1.966 20 0 BDADRP CO[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN2CCCC[C@@H]12 ZINC000227913248 640853688 /nfs/dbraw/zinc/85/36/88/640853688.db2.gz GNNHKDZEOAWYER-ZOBORPQBSA-N 2 0 238.375 1.770 20 0 BDADRP C[C@H](CO)CCC[NH2+]CC1CC[NH+](C)CC1 ZINC000228298948 640869131 /nfs/dbraw/zinc/86/91/31/640869131.db2.gz PUMLZGHFOZYSTN-LBPRGKRZSA-N 2 0 228.380 1.326 20 0 BDADRP Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)nc1 ZINC000229059852 640919486 /nfs/dbraw/zinc/91/94/86/640919486.db2.gz MHWZGAXTMRKIOR-OLZOCXBDSA-N 2 0 233.359 1.807 20 0 BDADRP C[NH+]1CCC(C[NH2+]C2(C)CCOCC2)CC1 ZINC000229894470 640992159 /nfs/dbraw/zinc/99/21/59/640992159.db2.gz MCVIJUBYEIKJKN-UHFFFAOYSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H](CNC(=[NH2+])NC(C)(C)C)C[NH+]1CCCC1 ZINC000062072487 641020221 /nfs/dbraw/zinc/02/02/21/641020221.db2.gz ADMZPNBLHROUBO-NSHDSACASA-N 2 0 240.395 1.631 20 0 BDADRP C[N@H+](CC1CC[NH+](C)CC1)CC(C)(C)CO ZINC000063122132 641135055 /nfs/dbraw/zinc/13/50/55/641135055.db2.gz CRENGWKTBNFPGN-UHFFFAOYSA-N 2 0 228.380 1.279 20 0 BDADRP CC(C)COCC[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000232673657 641340388 /nfs/dbraw/zinc/34/03/88/641340388.db2.gz UZTQPNUKBHUDPH-QWHCGFSZSA-N 2 0 228.380 1.576 20 0 BDADRP C[C@H]([NH2+]CCC(C)(C)[NH3+])[C@@H]1CCOC1 ZINC000158611845 641642422 /nfs/dbraw/zinc/64/24/22/641642422.db2.gz MREONUHJSKDZEJ-VHSXEESVSA-N 2 0 200.326 1.128 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000223930450 641700881 /nfs/dbraw/zinc/70/08/81/641700881.db2.gz DIMIYPVGASQBTK-XQHKEYJVSA-N 2 0 210.365 1.820 20 0 BDADRP C[C@@H]([NH2+][C@@H](CCO)C1CC1)C1CC[NH+](C)CC1 ZINC000090080775 641702339 /nfs/dbraw/zinc/70/23/39/641702339.db2.gz VEBMICRDRKNBFF-RISCZKNCSA-N 2 0 240.391 1.467 20 0 BDADRP COCCCC[N@H+](C)CC1CC[NH+](C)CC1 ZINC000154750499 642223500 /nfs/dbraw/zinc/22/35/00/642223500.db2.gz XFAIUPFFGYNWNK-UHFFFAOYSA-N 2 0 228.380 1.687 20 0 BDADRP COC[C@H](C)C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925478895 642461561 /nfs/dbraw/zinc/46/15/61/642461561.db2.gz DQCQPSGMZRYVEK-WOPDTQHZSA-N 2 0 228.380 1.765 20 0 BDADRP COC[C@H](C)C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925478892 642462012 /nfs/dbraw/zinc/46/20/12/642462012.db2.gz DQCQPSGMZRYVEK-IJLUTSLNSA-N 2 0 228.380 1.765 20 0 BDADRP CN(C)C1(C[NH2+]CC2CC[NH+](C)CC2)CCC1 ZINC000097928497 642642061 /nfs/dbraw/zinc/64/20/61/642642061.db2.gz FJMQPAYVJLFVMG-UHFFFAOYSA-N 2 0 239.407 1.402 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H](CCO)C2CC2)CC1 ZINC000305769084 642692408 /nfs/dbraw/zinc/69/24/08/642692408.db2.gz JBPCPVUXJOTKPF-CQSZACIVSA-N 2 0 240.391 1.611 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000420371137 642722242 /nfs/dbraw/zinc/72/22/42/642722242.db2.gz KHJGXLCMJIXVSG-GFCCVEGCSA-N 2 0 236.363 1.209 20 0 BDADRP [NH3+]CCC1CC[NH+](C/C=C/Cl)CC1 ZINC000069730061 642898145 /nfs/dbraw/zinc/89/81/45/642898145.db2.gz SXRHSCKRNAJIRV-ORCRQEGFSA-N 2 0 202.729 1.800 20 0 BDADRP CSCC[C@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000252916608 642903625 /nfs/dbraw/zinc/90/36/25/642903625.db2.gz VVFZEPCBIGXUOM-DCAQKATOSA-N 2 0 216.394 1.988 20 0 BDADRP Cc1c[nH+]ccc1NC[C@H]1CCC[NH2+]C1 ZINC000070047562 642959712 /nfs/dbraw/zinc/95/97/12/642959712.db2.gz UIQLSTUZHURIMB-NSHDSACASA-N 2 0 205.305 1.802 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](CCOc2ccc(C)cc2)C1 ZINC000071147365 643102308 /nfs/dbraw/zinc/10/23/08/643102308.db2.gz VUTQFJHXSYODFV-AWEZNQCLSA-N 2 0 248.370 1.915 20 0 BDADRP C[N@H+](CCNC1CC[NH+](C)CC1)C1CCCC1 ZINC000071376605 643135939 /nfs/dbraw/zinc/13/59/39/643135939.db2.gz IORLQIGCVJMKPO-UHFFFAOYSA-N 2 0 239.407 1.545 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC2(C)OCCO2)CC[N@@H+]1C ZINC000183894567 643179463 /nfs/dbraw/zinc/17/94/63/643179463.db2.gz NJQPPFKETHMTLK-VXGBXAGGSA-N 2 0 242.363 1.212 20 0 BDADRP C[C@@H]1COCC[N@@H+]1CCCCCCC[NH3+] ZINC000035776839 643254215 /nfs/dbraw/zinc/25/42/15/643254215.db2.gz MOFUCZUMTRDORF-GFCCVEGCSA-N 2 0 214.353 1.616 20 0 BDADRP C[N@@H+]1CCN(CCC[NH2+]C2CC2)CC1(C)C ZINC000082478050 643318557 /nfs/dbraw/zinc/31/85/57/643318557.db2.gz HRPGWDBELPSBCI-UHFFFAOYSA-N 2 0 225.380 1.155 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)c1cccc(C[NH3+])c1 ZINC000843507988 643368276 /nfs/dbraw/zinc/36/82/76/643368276.db2.gz OKKWNCXKTHWAOG-VHSXEESVSA-N 2 0 235.331 1.001 20 0 BDADRP CCC[N@H+](CC)CCNC(=[NH2+])NCC1CCC1 ZINC000083052914 643404310 /nfs/dbraw/zinc/40/43/10/643404310.db2.gz JLSDLYGJVSGQPC-UHFFFAOYSA-N 2 0 240.395 1.423 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC000082931361 643527631 /nfs/dbraw/zinc/52/76/31/643527631.db2.gz YNKMNRSUOCNGMY-NSHDSACASA-N 2 0 205.305 1.252 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc[nH]c(=O)c2)C1 ZINC000921620861 643629057 /nfs/dbraw/zinc/62/90/57/643629057.db2.gz VPSHWCGICXKEKA-ZDUSSCGKSA-N 2 0 249.358 1.607 20 0 BDADRP Cc1ncc(C[NH2+]CC[C@H]2CC[NH2+]C2)s1 ZINC000084385313 643662304 /nfs/dbraw/zinc/66/23/04/643662304.db2.gz TVUQNZNTCFOYGV-SNVBAGLBSA-N 2 0 225.361 1.541 20 0 BDADRP CCOc1ccccc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050245241 643662094 /nfs/dbraw/zinc/66/20/94/643662094.db2.gz CLFYWJYMXWBSGP-GFCCVEGCSA-N 2 0 234.343 1.866 20 0 BDADRP CCOCC[N@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000087977985 643693893 /nfs/dbraw/zinc/69/38/93/643693893.db2.gz JYASCLKCJUHNKJ-GFCCVEGCSA-N 2 0 214.353 1.344 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2cccc(Cl)n2)CC1 ZINC000086114531 643915538 /nfs/dbraw/zinc/91/55/38/643915538.db2.gz KKTKNXLKXFXJJM-UHFFFAOYSA-N 2 0 239.750 1.906 20 0 BDADRP CN(CC[NH2+]C(C)(C)C)C[C@H]1CCC[N@@H+]1C ZINC000086188258 643949824 /nfs/dbraw/zinc/94/98/24/643949824.db2.gz CSWBTWKQAQVVQK-GFCCVEGCSA-N 2 0 227.396 1.401 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000086495205 644142140 /nfs/dbraw/zinc/14/21/40/644142140.db2.gz MLUAIXUIPBFLDD-VOAKCMCISA-N 2 0 226.364 1.674 20 0 BDADRP C(C[N@@H+]1CCC[NH2+]CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923277153 644309785 /nfs/dbraw/zinc/30/97/85/644309785.db2.gz LEXLEJIPBUDLIH-AGUYFDCRSA-N 3 0 237.391 1.202 20 0 BDADRP CCCCCC[C@H](O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000923282871 644316963 /nfs/dbraw/zinc/31/69/63/644316963.db2.gz YAIOFVFTRRBRGI-OLZOCXBDSA-N 2 0 228.380 1.598 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CCCN(CCC[NH2+]C2CC2)C1 ZINC000923287231 644320339 /nfs/dbraw/zinc/32/03/39/644320339.db2.gz CKRAFBKNUVTQJI-VXGBXAGGSA-N 2 0 225.380 1.188 20 0 BDADRP CC[C@@H](C)C[N@H+](CC)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923315150 644343359 /nfs/dbraw/zinc/34/33/59/644343359.db2.gz QDXMDRMYKDYCQH-CHWSQXEVSA-N 2 0 240.391 1.733 20 0 BDADRP CC[C@H]1CC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923318850 644345035 /nfs/dbraw/zinc/34/50/35/644345035.db2.gz PQARCFBUTKXXRS-RYUDHWBXSA-N 2 0 224.348 1.097 20 0 BDADRP C[C@H]1CCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923310216 644346857 /nfs/dbraw/zinc/34/68/57/644346857.db2.gz ZBWRMVLXWYXFIX-STQMWFEESA-N 2 0 238.375 1.487 20 0 BDADRP [NH3+]C1(C[NH2+]C[C@@H](O)CC2CCCC2)CCC1 ZINC000923331172 644348357 /nfs/dbraw/zinc/34/83/57/644348357.db2.gz LGTSRSLFIRJKNR-LBPRGKRZSA-N 2 0 226.364 1.399 20 0 BDADRP CC(C)CC[C@H](O)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000923333868 644353587 /nfs/dbraw/zinc/35/35/87/644353587.db2.gz YQHMKLAKCGUHDY-AGIUHOORSA-N 2 0 228.380 1.453 20 0 BDADRP CC(C)CC[C@H](O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000923331541 644359580 /nfs/dbraw/zinc/35/95/80/644359580.db2.gz LSTZHZUYELFSSK-KBPBESRZSA-N 2 0 240.391 1.469 20 0 BDADRP CC(C)CC[C@H](O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000923348592 644360106 /nfs/dbraw/zinc/36/01/06/644360106.db2.gz IIAPJZBVFKQCOZ-KGLIPLIRSA-N 2 0 242.407 1.844 20 0 BDADRP C[C@H](NC(C[NH3+])C[NH3+])c1ccc(F)c(Cl)c1 ZINC000923351402 644367945 /nfs/dbraw/zinc/36/79/45/644367945.db2.gz KPHHSFRPMDEMEV-ZETCQYMHSA-N 2 0 245.729 1.416 20 0 BDADRP CCCCCC[C@@H](O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000923356896 644375233 /nfs/dbraw/zinc/37/52/33/644375233.db2.gz VOMRJNMLPGYGBM-KGLIPLIRSA-N 2 0 242.407 1.988 20 0 BDADRP CC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000923363592 644375531 /nfs/dbraw/zinc/37/55/31/644375531.db2.gz DAYNGBZGFZTYMS-RWMBFGLXSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@H]1[C@@H]([NH3+])CCN1C[C@@H](O)CCc1ccccc1 ZINC000923367879 644379212 /nfs/dbraw/zinc/37/92/12/644379212.db2.gz KKCSFTIIIZXDDW-QEJZJMRPSA-N 2 0 248.370 1.402 20 0 BDADRP COCC1(C)CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000923369966 644381001 /nfs/dbraw/zinc/38/10/01/644381001.db2.gz AUMPHIMEBFJYNT-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP C[NH2+]CCC[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000923377616 644391847 /nfs/dbraw/zinc/39/18/47/644391847.db2.gz OGSDTXNUWCFQKY-CQSZACIVSA-N 2 0 236.359 1.131 20 0 BDADRP C[C@@H]1C[C@@H](C)N(CCC[NH2+]C2CC2)C[C@H]1C[NH3+] ZINC000923382697 644393131 /nfs/dbraw/zinc/39/31/31/644393131.db2.gz MOTLHPZHHFPYSX-JHJVBQTASA-N 2 0 239.407 1.434 20 0 BDADRP C[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H]([NH3+])C[C@@H]2O)[C@@H]1C ZINC000923380392 644393645 /nfs/dbraw/zinc/39/36/45/644393645.db2.gz WCQLBVUPEXOCIA-QKFSQAGISA-N 2 0 226.364 1.251 20 0 BDADRP FC1(F)C[C@]12CC[N@H+](CCC[NH2+]C1CC1)C2 ZINC000923392169 644399496 /nfs/dbraw/zinc/39/94/96/644399496.db2.gz HKWNRNZXOMOVNM-NSHDSACASA-N 2 0 230.302 1.860 20 0 BDADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([NH+]2CCC(C3CCC3)CC2)C1 ZINC000923386258 644399680 /nfs/dbraw/zinc/39/96/80/644399680.db2.gz LSIMQUWUJPWGRI-IHRRRGAJSA-N 2 0 238.375 1.349 20 0 BDADRP C[C@]12COC[C@@H]1C[N@H+](CCC[NH2+]C1CC1)C2 ZINC000923387248 644400290 /nfs/dbraw/zinc/40/02/90/644400290.db2.gz CFQUHOJBGAPJHY-AAEUAGOBSA-N 2 0 224.348 1.097 20 0 BDADRP C[C@H](CO)C1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000923388527 644403331 /nfs/dbraw/zinc/40/33/31/644403331.db2.gz ROVDUJQXPTYZOQ-GFCCVEGCSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CN1C[C@H](O)CCc1ccccc1 ZINC000923411199 644411185 /nfs/dbraw/zinc/41/11/85/644411185.db2.gz ACUREGUPRYYZJU-BPLDGKMQSA-N 2 0 248.370 1.402 20 0 BDADRP C/C=C\C[C@H]1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923413613 644417078 /nfs/dbraw/zinc/41/70/78/644417078.db2.gz WGRMDSWATWPQKN-WHYYLHBCSA-N 2 0 238.375 1.515 20 0 BDADRP C[NH2+]C[C@@H]1CCCCN1CCC[NH2+]C1CC1 ZINC000923430297 644419456 /nfs/dbraw/zinc/41/94/56/644419456.db2.gz KJFRFKYFXMUJMA-ZDUSSCGKSA-N 2 0 225.380 1.202 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1ccco1 ZINC000084215984 644421369 /nfs/dbraw/zinc/42/13/69/644421369.db2.gz UDCAOJYQQWQFPN-WCQYABFASA-N 2 0 222.332 1.929 20 0 BDADRP CCC[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923442469 644432930 /nfs/dbraw/zinc/43/29/30/644432930.db2.gz QIVPILFAGKWWBY-LLVKDONJSA-N 2 0 212.337 1.226 20 0 BDADRP CC(C)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923458510 644437357 /nfs/dbraw/zinc/43/73/57/644437357.db2.gz PQHNQJNJHJRSQE-NSHDSACASA-N 2 0 212.337 1.225 20 0 BDADRP CC(C)CC[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923459090 644439113 /nfs/dbraw/zinc/43/91/13/644439113.db2.gz ZIFBFPBGQXHBJN-CYBMUJFWSA-N 2 0 240.391 1.862 20 0 BDADRP CCC[C@@H](C)CCC[N@@H+]1CCNCC[NH2+]CC1 ZINC000923461530 644447215 /nfs/dbraw/zinc/44/72/15/644447215.db2.gz YHBFPRWFCIFHKD-CQSZACIVSA-N 2 0 241.423 1.698 20 0 BDADRP CCc1ccc(CN2CCC[C@]([NH3+])(CO)C2)cc1 ZINC000923474605 644454638 /nfs/dbraw/zinc/45/46/38/644454638.db2.gz UEZYUEITYXGADQ-OAHLLOKOSA-N 2 0 248.370 1.535 20 0 BDADRP C[C@@H]1C[NH+](C[C@]2(C)CCC[NH2+]C2)C[C@H]1C ZINC000086015460 644456840 /nfs/dbraw/zinc/45/68/40/644456840.db2.gz WHTVMMTVUIIJGB-JHJVBQTASA-N 2 0 210.365 1.964 20 0 BDADRP CCO[C@@H](C[N@@H+]1CC[C@H](CC[NH3+])C1)C1CC1 ZINC000923480857 644460210 /nfs/dbraw/zinc/46/02/10/644460210.db2.gz KTZUBCFXKFYOQU-AAEUAGOBSA-N 2 0 226.364 1.472 20 0 BDADRP CCc1noc([C@@H](C)[N@@H+]2CC[C@@H](CC[NH3+])C2)n1 ZINC000923486324 644462192 /nfs/dbraw/zinc/46/21/92/644462192.db2.gz PSHOLVJSAVYHAB-NXEZZACHSA-N 2 0 238.335 1.364 20 0 BDADRP Cc1nc(C)c(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)o1 ZINC000923490417 644464752 /nfs/dbraw/zinc/46/47/52/644464752.db2.gz NYRWGTZHCLTXRK-BXKDBHETSA-N 2 0 237.347 1.708 20 0 BDADRP Cc1nccnc1C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923491026 644465583 /nfs/dbraw/zinc/46/55/83/644465583.db2.gz QBAUHZNULNOFKG-CMPLNLGQSA-N 2 0 234.347 1.202 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2CCC(O)CC2)C1 ZINC000086401875 644465704 /nfs/dbraw/zinc/46/57/04/644465704.db2.gz FGUDLXUDTWXFCL-QTAHKJALSA-N 2 0 212.337 1.149 20 0 BDADRP C[C@H]1C[N@H+](CCCCCC[NH3+])CC[C@H]1C[NH3+] ZINC000923493199 644467512 /nfs/dbraw/zinc/46/75/12/644467512.db2.gz FJSALJXBATUUCV-STQMWFEESA-N 3 0 227.396 1.422 20 0 BDADRP Cc1cnc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)o1 ZINC000923500300 644474224 /nfs/dbraw/zinc/47/42/24/644474224.db2.gz NHVRKPULMVTGSL-GXSJLCMTSA-N 2 0 223.320 1.400 20 0 BDADRP CC(C)CC[C@@H](O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923514880 644478395 /nfs/dbraw/zinc/47/83/95/644478395.db2.gz GLKWHALVTNFDBQ-JHJVBQTASA-N 2 0 228.380 1.310 20 0 BDADRP C([C@@H]1CCCCO1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516243 644480482 /nfs/dbraw/zinc/48/04/82/644480482.db2.gz WPPFARPVLVDDGL-XQQFMLRXSA-N 2 0 224.348 1.097 20 0 BDADRP OC[C@@H]1CCCCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000923530972 644486053 /nfs/dbraw/zinc/48/60/53/644486053.db2.gz OCRJQFXBUPEATQ-OLZOCXBDSA-N 2 0 226.364 1.223 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCCCC[C@H]1CO ZINC000923531369 644488315 /nfs/dbraw/zinc/48/83/15/644488315.db2.gz RWQOUWTZIXAHBP-AGIUHOORSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCCCC[C@@H]1CO ZINC000923531370 644488571 /nfs/dbraw/zinc/48/85/71/644488571.db2.gz RWQOUWTZIXAHBP-FRRDWIJNSA-N 2 0 226.364 1.079 20 0 BDADRP [NH3+]CCOCC[N@H+](CCc1ccccc1)C1CC1 ZINC000923554805 644497442 /nfs/dbraw/zinc/49/74/42/644497442.db2.gz PNMZCDHNTAZBCB-UHFFFAOYSA-N 2 0 248.370 1.669 20 0 BDADRP C[C@H](CN[C@H]1CCC[C@@H]1C[NH3+])[NH+]1CCCCC1 ZINC000089150232 644536274 /nfs/dbraw/zinc/53/62/74/644536274.db2.gz WMSHLBIWJVKXNF-MCIONIFRSA-N 2 0 239.407 1.578 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CCCCCCO)[C@@H](C)C1 ZINC000245916607 644553618 /nfs/dbraw/zinc/55/36/18/644553618.db2.gz QCAFRSAZADTSRW-KBPBESRZSA-N 2 0 242.407 1.859 20 0 BDADRP CC(C)(C)[NH2+]CCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000250717377 644777722 /nfs/dbraw/zinc/77/77/22/644777722.db2.gz UHPUMQWJJGRJAV-LBPRGKRZSA-N 2 0 225.380 1.155 20 0 BDADRP COC[C@@H]1CC[N@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000250776143 644779479 /nfs/dbraw/zinc/77/94/79/644779479.db2.gz AJQQHKHJSNMZKC-CHWSQXEVSA-N 2 0 226.364 1.344 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@H]1C[NH3+])[C@H]1CCCO1 ZINC000251596297 644812409 /nfs/dbraw/zinc/81/24/09/644812409.db2.gz ORCZWONGARIJRY-NNYUYHANSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCOC1 ZINC000252231421 644843363 /nfs/dbraw/zinc/84/33/63/644843363.db2.gz ZWLAAUDIYCDONZ-OLZOCXBDSA-N 2 0 226.364 1.629 20 0 BDADRP CC(C)([NH3+])CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000304570065 644917055 /nfs/dbraw/zinc/91/70/55/644917055.db2.gz HXKCFYPKOLQPCY-NEPJUHHUSA-N 2 0 225.380 1.330 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2CSCCS2)C1 ZINC000253023960 644930390 /nfs/dbraw/zinc/93/03/90/644930390.db2.gz MAMTVODPJWLYHZ-VWYCJHECSA-N 2 0 246.445 1.695 20 0 BDADRP CC[C@@H]1COC[C@@H]1[NH2+][C@@H](C)CC[NH+](C)C ZINC000827320808 645077818 /nfs/dbraw/zinc/07/78/18/645077818.db2.gz LSVJHCNOCBABQX-TUAOUCFPSA-N 2 0 214.353 1.341 20 0 BDADRP C[C@@H]1COC[C@@H]1[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000926572096 645290074 /nfs/dbraw/zinc/29/00/74/645290074.db2.gz FXQNMAJGHSUQNE-AGIUHOORSA-N 2 0 226.364 1.343 20 0 BDADRP C[C@@H]1OC[C@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)[C@@H]1C ZINC000926574355 645291905 /nfs/dbraw/zinc/29/19/05/645291905.db2.gz WEGOCYRXPYUKPE-RFGFWPKPSA-N 2 0 240.391 1.731 20 0 BDADRP CC[NH2+]CC(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000843508830 645292755 /nfs/dbraw/zinc/29/27/55/645292755.db2.gz YZRBZGGOOABSCR-UHFFFAOYSA-N 2 0 221.304 1.002 20 0 BDADRP C[C@H]([NH3+])C(=O)Nc1ccc(C[NH+](C)C)c(F)c1 ZINC000844187788 645316321 /nfs/dbraw/zinc/31/63/21/645316321.db2.gz KPGJSJFVMTYPPA-QMMMGPOBSA-N 2 0 239.294 1.173 20 0 BDADRP CC1(C)C[C@@H]([NH2+]C[C@H]2CCCOC2)C[C@@H]([NH3+])C1 ZINC000925485429 645318831 /nfs/dbraw/zinc/31/88/31/645318831.db2.gz MXRZTCOJAXSDDS-UPJWGTAASA-N 2 0 240.391 1.909 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1C=CCC1 ZINC000926838923 645449773 /nfs/dbraw/zinc/44/97/73/645449773.db2.gz WNMSDXWAMZZEMY-ICIURTGMSA-N 2 0 220.360 1.882 20 0 BDADRP C[C@@H]1CCC[N@H+](CCOC(F)F)[C@@H]1CC[NH3+] ZINC000852753628 645488286 /nfs/dbraw/zinc/48/82/86/645488286.db2.gz PXGDLKNLCYGIPX-NXEZZACHSA-N 2 0 236.306 1.675 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCOC(F)F ZINC000852753014 645488877 /nfs/dbraw/zinc/48/88/77/645488877.db2.gz UCAXIJDIDPRYRV-HTQZYQBOSA-N 2 0 208.252 1.085 20 0 BDADRP CCC[C@@H](O)CC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000927028071 645527293 /nfs/dbraw/zinc/52/72/93/645527293.db2.gz PGYZEJCJQVCGKL-TZMCWYRMSA-N 2 0 242.407 1.857 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](CO)C2)[C@H](C)C1 ZINC000927149971 645572080 /nfs/dbraw/zinc/57/20/80/645572080.db2.gz HIPINKUMHUPDSN-FDYHWXHSSA-N 2 0 226.364 1.077 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H]2C[C@H](CO)C2)CC1 ZINC000927152886 645574408 /nfs/dbraw/zinc/57/44/08/645574408.db2.gz RFBPJBRQCBISSN-AULYBMBSSA-N 2 0 226.364 1.221 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000011891287 645651755 /nfs/dbraw/zinc/65/17/55/645651755.db2.gz GNMUQCPDJIKUNR-LLVKDONJSA-N 2 0 208.280 1.606 20 0 BDADRP CC[N@@H+]1CCC[C@@H](N[C@H]2CC[NH2+]C2(C)C)C1 ZINC000925494099 645731739 /nfs/dbraw/zinc/73/17/39/645731739.db2.gz NJDVRGXIMUDFOB-NEPJUHHUSA-N 2 0 225.380 1.201 20 0 BDADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000884371919 645874215 /nfs/dbraw/zinc/87/42/15/645874215.db2.gz BRBSKTCCPMHNGI-DCAQKATOSA-N 2 0 243.395 1.238 20 0 BDADRP Cn1cc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)cn1 ZINC000925500834 645943205 /nfs/dbraw/zinc/94/32/05/645943205.db2.gz GTLZMKUXTLJNCK-RYUDHWBXSA-N 2 0 236.363 1.416 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)C(C)(C)CO ZINC000924646263 646081112 /nfs/dbraw/zinc/08/11/12/646081112.db2.gz DLJAONOMSQBHLR-RYUDHWBXSA-N 2 0 240.391 1.467 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CCOCC1 ZINC000924716130 646095085 /nfs/dbraw/zinc/09/50/85/646095085.db2.gz IMLJHJKCNBDLPI-QYJAPNMZSA-N 2 0 224.348 1.095 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCC[C@H](O)C1 ZINC000924762397 646103081 /nfs/dbraw/zinc/10/30/81/646103081.db2.gz SUWPBRRXEGSCQD-BMNJFWBPSA-N 2 0 238.375 1.220 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CNC1[C@@H]2CC[C@H]1C[NH+](C)C2 ZINC000924790461 646106932 /nfs/dbraw/zinc/10/69/32/646106932.db2.gz HLTFHBLXFPQRAW-RBKKPWLPSA-N 2 0 237.391 1.010 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@](C)(O)C1CC1 ZINC000925040399 646164214 /nfs/dbraw/zinc/16/42/14/646164214.db2.gz MJRPKSGFSHLEDU-ZZWXXDIBSA-N 2 0 238.375 1.077 20 0 BDADRP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000925110734 646185760 /nfs/dbraw/zinc/18/57/60/646185760.db2.gz AHFAOYXOMUCFAE-ITGUQSILSA-N 2 0 240.391 1.467 20 0 BDADRP CC[C@@H]1COC[C@@H]1[NH2+]C[C@H]1CCCn2ccnc21 ZINC000925170111 646198799 /nfs/dbraw/zinc/19/87/99/646198799.db2.gz KRXZZVDQRCTMAC-UPJWGTAASA-N 2 0 249.358 1.775 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCCSC1 ZINC000925218326 646212311 /nfs/dbraw/zinc/21/23/11/646212311.db2.gz LLQWXDDQJYYEMG-DAAZQVBGSA-N 2 0 240.416 1.812 20 0 BDADRP CC[C@@H](CO)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000929717937 646271212 /nfs/dbraw/zinc/27/12/12/646271212.db2.gz BCZANSIRNVVVQJ-KBPBESRZSA-N 2 0 240.391 1.565 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]C2CCOCC2)C1 ZINC000925483770 646295529 /nfs/dbraw/zinc/29/55/29/646295529.db2.gz YHMRWUZSZGOMTL-JQWIXIFHSA-N 2 0 226.364 1.661 20 0 BDADRP CC1(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)COC1 ZINC000925483455 646295811 /nfs/dbraw/zinc/29/58/11/646295811.db2.gz SXLVGZZTGRUTAD-GHMZBOCLSA-N 2 0 226.364 1.519 20 0 BDADRP C1CC1[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925492826 646298656 /nfs/dbraw/zinc/29/86/56/646298656.db2.gz IIYQQHLOCHWNMW-CHWSQXEVSA-N 2 0 208.349 1.907 20 0 BDADRP Cc1cc(CN[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)on1 ZINC000925490055 646298877 /nfs/dbraw/zinc/29/88/77/646298877.db2.gz AITYRILEJVIVPQ-GHMZBOCLSA-N 2 0 237.347 1.979 20 0 BDADRP C[C@H](CN[C@@H]1CC[NH2+]C12CCC2)[N@H+](C)C1CC1 ZINC000925497343 646301896 /nfs/dbraw/zinc/30/18/96/646301896.db2.gz VCMQMJLSXLETAL-DGCLKSJQSA-N 2 0 237.391 1.343 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccccc2CO)C12CCC2 ZINC000925507829 646308680 /nfs/dbraw/zinc/30/86/80/646308680.db2.gz NPFVQPPRXVGZAG-KGLIPLIRSA-N 2 0 246.354 1.538 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCCOCC1CC1 ZINC000925521412 646314849 /nfs/dbraw/zinc/31/48/49/646314849.db2.gz UMNRYXOXAFQEOG-LBPRGKRZSA-N 2 0 226.364 1.533 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1NCC[NH+]1CCCCCC1 ZINC000925524949 646315520 /nfs/dbraw/zinc/31/55/20/646315520.db2.gz CIGDCNKOVDKWLK-ZDUSSCGKSA-N 2 0 239.407 1.593 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925523381 646315704 /nfs/dbraw/zinc/31/57/04/646315704.db2.gz YICKUSJCZRDTHO-ZDUSSCGKSA-N 3 0 239.407 1.593 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925542340 646324606 /nfs/dbraw/zinc/32/46/06/646324606.db2.gz ZORYLZKUMJXGIS-VXGBXAGGSA-N 2 0 226.364 1.269 20 0 BDADRP CC1(C)[C@H]([NH2+][C@@H]2CCCOC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925549498 646326816 /nfs/dbraw/zinc/32/68/16/646326816.db2.gz LTVYYYCUOUSREG-FVCCEPFGSA-N 2 0 238.375 1.532 20 0 BDADRP [NH3+]CCC[C@@H]([NH2+]Cc1cc[nH]n1)c1ccccc1 ZINC000925551857 646329024 /nfs/dbraw/zinc/32/90/24/646329024.db2.gz ZNNSWBPDUUMVBY-CQSZACIVSA-N 2 0 244.342 1.980 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000925557800 646333510 /nfs/dbraw/zinc/33/35/10/646333510.db2.gz QOLQXVNGHZRUGS-UBHSHLNASA-N 2 0 237.391 1.201 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925563234 646336561 /nfs/dbraw/zinc/33/65/61/646336561.db2.gz BHGURRQVCOASRR-YNEHKIRRSA-N 2 0 239.407 1.576 20 0 BDADRP COCCOCC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925565576 646338521 /nfs/dbraw/zinc/33/85/21/646338521.db2.gz UQQFSEZBQVEKOS-VXGBXAGGSA-N 2 0 244.379 1.145 20 0 BDADRP CNC(=O)CCC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925601596 646353651 /nfs/dbraw/zinc/35/36/51/646353651.db2.gz MEHUQLOSTURDGA-GHMZBOCLSA-N 2 0 241.379 1.008 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CO)CC2)C12CCC2 ZINC000925605033 646354346 /nfs/dbraw/zinc/35/43/46/646354346.db2.gz CWWSXYMXCWZYNG-QNWHQSFQSA-N 2 0 238.375 1.397 20 0 BDADRP CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925604119 646355279 /nfs/dbraw/zinc/35/52/79/646355279.db2.gz HTJORNCUTFHXEC-UPJWGTAASA-N 2 0 240.391 1.778 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CC2(O)CCC2)C1 ZINC000925610032 646359567 /nfs/dbraw/zinc/35/95/67/646359567.db2.gz YPFVWLZXJQACKJ-GHMZBOCLSA-N 2 0 226.364 1.397 20 0 BDADRP C[C@@H](O)C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925611702 646359988 /nfs/dbraw/zinc/35/99/88/646359988.db2.gz NVLXHQLAUOLXLV-DGCLKSJQSA-N 2 0 222.332 1.437 20 0 BDADRP CC(C)C[C@H](CO)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925613085 646362184 /nfs/dbraw/zinc/36/21/84/646362184.db2.gz PEVJJLJKSHKVHN-YNEHKIRRSA-N 2 0 242.407 1.889 20 0 BDADRP OCC[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000925620700 646368005 /nfs/dbraw/zinc/36/80/05/646368005.db2.gz XKVSDPGQPICORG-RYUDHWBXSA-N 2 0 224.348 1.022 20 0 BDADRP C[C@@H]1CCC[N@@H+]1CCN[C@H]1CC[NH2+]C12CCC2 ZINC000925624663 646369579 /nfs/dbraw/zinc/36/95/79/646369579.db2.gz ZLGKSUOYSKKTSW-OLZOCXBDSA-N 2 0 237.391 1.345 20 0 BDADRP C[C@H](CCO)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925622368 646369657 /nfs/dbraw/zinc/36/96/57/646369657.db2.gz KSUPTNXMEFJYSY-NEPJUHHUSA-N 2 0 226.364 1.269 20 0 BDADRP C[C@@H]1CCC[N@@H+]1CCN[C@@H]1CC[NH2+]C12CCC2 ZINC000925624662 646370547 /nfs/dbraw/zinc/37/05/47/646370547.db2.gz ZLGKSUOYSKKTSW-CHWSQXEVSA-N 2 0 237.391 1.345 20 0 BDADRP CC(C)OCCCC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925635689 646379950 /nfs/dbraw/zinc/37/99/50/646379950.db2.gz UHCHJGGPMQUDII-GFCCVEGCSA-N 2 0 228.380 1.922 20 0 BDADRP CO[C@H](C)C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925644903 646386946 /nfs/dbraw/zinc/38/69/46/646386946.db2.gz MXQOPHBVVVXYMH-GMTAPVOTSA-N 2 0 214.353 1.517 20 0 BDADRP CC[C@@H](CO)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925645656 646387891 /nfs/dbraw/zinc/38/78/91/646387891.db2.gz RUSAAYMNRXITPX-OUAUKWLOSA-N 2 0 214.353 1.253 20 0 BDADRP OCCCCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925651882 646392578 /nfs/dbraw/zinc/39/25/78/646392578.db2.gz BOHKNIDKGJKROW-GFCCVEGCSA-N 2 0 226.364 1.413 20 0 BDADRP CC1(C)C[C@@H]([NH2+]CCCCO)C[C@@H]([NH3+])C1 ZINC000925655753 646394475 /nfs/dbraw/zinc/39/44/75/646394475.db2.gz HLBBSCHXAHFLMR-MNOVXSKESA-N 2 0 214.353 1.255 20 0 BDADRP COCC1(C[NH2+][C@@H]2CC[NH2+]C2(C)C)CCC1 ZINC000925660946 646396570 /nfs/dbraw/zinc/39/65/70/646396570.db2.gz AHCPSGZFUOFFIF-LLVKDONJSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H](O)[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925671702 646399698 /nfs/dbraw/zinc/39/96/98/646399698.db2.gz DTKHJFGMAARYMN-UKKRHICBSA-N 2 0 214.353 1.251 20 0 BDADRP CCOCC(C)(C)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925669052 646400668 /nfs/dbraw/zinc/40/06/68/646400668.db2.gz OEZXIVJZDQXEGK-GFCCVEGCSA-N 2 0 240.391 1.923 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925678036 646401270 /nfs/dbraw/zinc/40/12/70/646401270.db2.gz YNMACCAQSUVXRF-DBIOUOCHSA-N 2 0 212.337 1.269 20 0 BDADRP COCC[C@H](C)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925685488 646413330 /nfs/dbraw/zinc/41/33/30/646413330.db2.gz JNPILRJMYWIXCA-WDEREUQCSA-N 2 0 214.353 1.389 20 0 BDADRP C[C@H]([NH3+])[C@H](NCCC[NH3+])c1ccccc1 ZINC000925688267 646414054 /nfs/dbraw/zinc/41/40/54/646414054.db2.gz CKYDWUBJHASLFU-JQWIXIFHSA-N 2 0 207.321 1.013 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCC[C@@H]1CCOC1 ZINC000925688474 646414795 /nfs/dbraw/zinc/41/47/95/646414795.db2.gz PUWQLESHONRTLE-NEPJUHHUSA-N 2 0 226.364 1.533 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CCC[C@@H]1CCOC1 ZINC000925688479 646415013 /nfs/dbraw/zinc/41/50/13/646415013.db2.gz PUWQLESHONRTLE-VXGBXAGGSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]([NH3+])[C@H](NCCC[NH3+])c1ccccc1 ZINC000925688268 646415185 /nfs/dbraw/zinc/41/51/85/646415185.db2.gz CKYDWUBJHASLFU-PWSUYJOCSA-N 2 0 207.321 1.013 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1NC[C@H]([NH3+])c1ccccc1 ZINC000925691592 646416992 /nfs/dbraw/zinc/41/69/92/646416992.db2.gz ITEOMRZIDPRSIQ-QWHCGFSZSA-N 2 0 233.359 1.417 20 0 BDADRP O[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925692203 646417933 /nfs/dbraw/zinc/41/79/33/646417933.db2.gz NDXPBUYYPSEFFT-YNEHKIRRSA-N 2 0 238.375 1.412 20 0 BDADRP CC[NH2+]CCC[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000925694989 646419953 /nfs/dbraw/zinc/41/99/53/646419953.db2.gz VFAXXOOUZRHYJB-MGPQQGTHSA-N 2 0 240.391 1.781 20 0 BDADRP CC[NH2+]CCC[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000925694983 646419965 /nfs/dbraw/zinc/41/99/65/646419965.db2.gz VFAXXOOUZRHYJB-HZSPNIEDSA-N 2 0 240.391 1.781 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1NCc1ccc2c(c1)C[NH2+]C2 ZINC000925700298 646423172 /nfs/dbraw/zinc/42/31/72/646423172.db2.gz PCAQSCATDMTLED-AWEZNQCLSA-N 2 0 245.370 1.520 20 0 BDADRP C[C@H]([NH3+])CN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925700217 646423405 /nfs/dbraw/zinc/42/34/05/646423405.db2.gz NTVMNTZARTVWTG-DRZSPHRISA-N 2 0 225.380 1.092 20 0 BDADRP C1[C@H](N[C@H]2CC[NH2+]C23CCC3)C12CC[NH2+]CC2 ZINC000925702521 646427373 /nfs/dbraw/zinc/42/73/73/646427373.db2.gz BABPBEPYHHKPQR-RYUDHWBXSA-N 2 0 235.375 1.003 20 0 BDADRP CC1(C)C[C@@H](N[C@@H]2CCCC[C@H]2[NH3+])C[C@@H]([NH3+])C1 ZINC000925704113 646429146 /nfs/dbraw/zinc/42/91/46/646429146.db2.gz HWZQGBKKRQSHCG-YVECIDJPSA-N 2 0 239.407 1.752 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000925706364 646429475 /nfs/dbraw/zinc/42/94/75/646429475.db2.gz CMGZMMICSMAUKT-YFKTTZPYSA-N 2 0 208.349 1.905 20 0 BDADRP [NH3+][C@@H]1C[C@H]2COC[C@@H](C1)[C@H]2[NH2+]CC1=CCCC1 ZINC000925704174 646429562 /nfs/dbraw/zinc/42/95/62/646429562.db2.gz BPHHVQKYICPGEX-LVEBTZEWSA-N 2 0 236.359 1.439 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CCC2=CC[NH2+]CC2)C12CCC2 ZINC000925705479 646430199 /nfs/dbraw/zinc/43/01/99/646430199.db2.gz JJVBZGPVXIEXKD-OLZOCXBDSA-N 3 0 235.375 1.156 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]CCC2=CC[NH2+]CC2)C12CCC2 ZINC000925705484 646430285 /nfs/dbraw/zinc/43/02/85/646430285.db2.gz JJVBZGPVXIEXKD-STQMWFEESA-N 3 0 235.375 1.156 20 0 BDADRP [NH3+]C1(CN[C@@H]2CC[NH2+]C23CCCC3)CCCC1 ZINC000925708911 646433247 /nfs/dbraw/zinc/43/32/47/646433247.db2.gz DYZUWOWMEFZJPR-GFCCVEGCSA-N 2 0 237.391 1.522 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925713451 646439645 /nfs/dbraw/zinc/43/96/45/646439645.db2.gz SWDKDZMHMVIVQK-ZIAGYGMSSA-N 3 0 245.370 1.505 20 0 BDADRP c1coc(CCC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)c1 ZINC000925716047 646441358 /nfs/dbraw/zinc/44/13/58/646441358.db2.gz OQDVQBUYXWUAFK-WPTOEGHWSA-N 2 0 246.354 1.798 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925720225 646444538 /nfs/dbraw/zinc/44/45/38/646444538.db2.gz WVESZDSLOLZRCD-ZDEQEGDKSA-N 2 0 240.391 1.907 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2ccc[nH]c2=O)C1 ZINC000925720680 646445928 /nfs/dbraw/zinc/44/59/28/646445928.db2.gz ZTIBVDRGPXSFDA-NWDGAFQWSA-N 2 0 249.358 1.783 20 0 BDADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000925726508 646452793 /nfs/dbraw/zinc/45/27/93/646452793.db2.gz TVPPQWMSHCQSLQ-SFWGVHFYSA-N 3 0 249.402 1.090 20 0 BDADRP C[C@@H](N)[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccccc1 ZINC000925729236 646453644 /nfs/dbraw/zinc/45/36/44/646453644.db2.gz ZHEBSTXFQFSEGY-OXHZDVMGSA-N 2 0 233.359 1.402 20 0 BDADRP Nc1cc(F)cc(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925731761 646455593 /nfs/dbraw/zinc/45/55/93/646455593.db2.gz UYQRQZOYDUCLEA-CHWSQXEVSA-N 2 0 249.333 1.767 20 0 BDADRP CC(C)([NH3+])CC[NH2+][C@H]1CCC12CCOCC2 ZINC000925738674 646459790 /nfs/dbraw/zinc/45/97/90/646459790.db2.gz SESMHAADLWEOLG-NSHDSACASA-N 2 0 226.364 1.663 20 0 BDADRP COCCC[C@@H](C)[NH2+]CCC(C)(C)[NH3+] ZINC000925741784 646462984 /nfs/dbraw/zinc/46/29/84/646462984.db2.gz NBTVKUXKWMWWMR-SNVBAGLBSA-N 2 0 202.342 1.519 20 0 BDADRP CCC1([NH3+])CC[NH+]([C@H]2CCCc3n[nH]cc32)CC1 ZINC000925757179 646465154 /nfs/dbraw/zinc/46/51/54/646465154.db2.gz DUYGGEJLZUDKBG-ZDUSSCGKSA-N 2 0 248.374 1.990 20 0 BDADRP CC1(C)C[C@@H](NCc2cc(N)cc[nH+]2)C[C@@H]([NH3+])C1 ZINC000925768093 646469247 /nfs/dbraw/zinc/46/92/47/646469247.db2.gz SKFHIQPGRJKLOY-NEPJUHHUSA-N 2 0 248.374 1.659 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)C1C[NH2+]C1 ZINC000925772735 646472852 /nfs/dbraw/zinc/47/28/52/646472852.db2.gz JOTHSMFAQAFQSI-JQWIXIFHSA-N 2 0 224.348 1.143 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCC[C@]12CCCO2)[C@@H]1CC[NH2+]C1 ZINC000925773014 646473911 /nfs/dbraw/zinc/47/39/11/646473911.db2.gz LQSHVNLQRQNXJE-SYQHCUMBSA-N 2 0 238.375 1.676 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000925782429 646479875 /nfs/dbraw/zinc/47/98/75/646479875.db2.gz GHKMPJUFOMWLFB-VEGXAWMVSA-N 2 0 208.349 1.763 20 0 BDADRP CO[C@H]1CCC[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000925785411 646481139 /nfs/dbraw/zinc/48/11/39/646481139.db2.gz NIARJEYSVDRYIJ-VOAKCMCISA-N 2 0 226.364 1.389 20 0 BDADRP C[C@@H](CCCCO)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925800269 646486942 /nfs/dbraw/zinc/48/69/42/646486942.db2.gz YAAVECKDGNJEEN-FRRDWIJNSA-N 2 0 228.380 1.373 20 0 BDADRP C[C@H]1CC[NH2+]C[C@@H]1NCc1cc(N(C)C)cc[nH+]1 ZINC000925814203 646491555 /nfs/dbraw/zinc/49/15/55/646491555.db2.gz YMVGACJSMWNEEN-FZMZJTMJSA-N 2 0 248.374 1.235 20 0 BDADRP C[C@H]1CC[NH2+]C[C@H]1NCc1cc(N(C)C)cc[nH+]1 ZINC000925814205 646492444 /nfs/dbraw/zinc/49/24/44/646492444.db2.gz YMVGACJSMWNEEN-SMDDNHRTSA-N 2 0 248.374 1.235 20 0 BDADRP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000925824475 646496844 /nfs/dbraw/zinc/49/68/44/646496844.db2.gz UDSVGOCJUPCZEO-HDLKOFKZSA-N 2 0 208.349 1.748 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)C1C[NH2+]C1 ZINC000925833633 646502765 /nfs/dbraw/zinc/50/27/65/646502765.db2.gz UNCLDMIBNDHCNM-ACLDMZEESA-N 2 0 222.254 1.382 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925837168 646504434 /nfs/dbraw/zinc/50/44/34/646504434.db2.gz CDDCGFRMOXMKJC-REWJHTLYSA-N 2 0 237.391 1.249 20 0 BDADRP COC[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)C(C)C ZINC000925845621 646510161 /nfs/dbraw/zinc/51/01/61/646510161.db2.gz YYRSPJWCSICZHD-BFHYXJOUSA-N 2 0 240.391 1.779 20 0 BDADRP CCC[C@@H](O)CC[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000925860508 646512678 /nfs/dbraw/zinc/51/26/78/646512678.db2.gz ZBTAPFMOUPMIPE-AGIUHOORSA-N 2 0 228.380 1.658 20 0 BDADRP COC[C@H](C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)C(C)C ZINC000925872960 646524436 /nfs/dbraw/zinc/52/44/36/646524436.db2.gz CAXYLHQSYWJRGT-XQQFMLRXSA-N 2 0 228.380 1.493 20 0 BDADRP COC[C@H](C[NH2+][C@@H](C)C[C@@H](C)[NH3+])C(C)C ZINC000925874745 646525331 /nfs/dbraw/zinc/52/53/31/646525331.db2.gz VLUKPIXRXSXGEG-WOPDTQHZSA-N 2 0 216.369 1.620 20 0 BDADRP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925875005 646525837 /nfs/dbraw/zinc/52/58/37/646525837.db2.gz BGOIPQBRQYKOKM-MDZLAQPJSA-N 2 0 248.374 1.515 20 0 BDADRP COC[C@@H](CC(C)C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925875038 646526243 /nfs/dbraw/zinc/52/62/43/646526243.db2.gz CCNTZGULYVVNNX-FRRDWIJNSA-N 2 0 228.380 1.765 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCOC1 ZINC000925875025 646526355 /nfs/dbraw/zinc/52/63/55/646526355.db2.gz BRPJVQKFHLVEAJ-NDBYEHHHSA-N 2 0 226.364 1.519 20 0 BDADRP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)nn1C ZINC000925879420 646528728 /nfs/dbraw/zinc/52/87/28/646528728.db2.gz DLQXGOUXNWAMDG-UTUOFQBUSA-N 2 0 236.363 1.507 20 0 BDADRP C[C@@H]1COC[C@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000926276400 646610035 /nfs/dbraw/zinc/61/00/35/646610035.db2.gz XANNVZFXIAKNSW-CHWSQXEVSA-N 2 0 240.391 1.733 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCCF ZINC000926462821 646649420 /nfs/dbraw/zinc/64/94/20/646649420.db2.gz DFTIDBOISFXSMA-FOSCPWQOSA-N 2 0 214.328 1.666 20 0 BDADRP C[C@H](C[NH2+]C1CC2(C1)CO[C@@H](C)C2)C[NH+](C)C ZINC000926468240 646652423 /nfs/dbraw/zinc/65/24/23/646652423.db2.gz ASMABZFKGWFJJQ-KBHBFKLGSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cc[nH]c(=O)c1 ZINC000926475792 646653842 /nfs/dbraw/zinc/65/38/42/646653842.db2.gz WYARVTMCCIPXPJ-WDEREUQCSA-N 2 0 237.347 1.636 20 0 BDADRP CCCC[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720873575 711686729 /nfs/dbraw/zinc/68/67/29/711686729.db2.gz SBKBVDUDPAYPFN-IUCAKERBSA-N 2 0 224.270 1.856 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@H]1CC[NH2+]C12CCC2 ZINC000925604854 711704995 /nfs/dbraw/zinc/70/49/95/711704995.db2.gz AVCBZRFAOGONLB-ZDUSSCGKSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](CCCCCCO)C[C@@H]1C[NH3+] ZINC000397302721 711705315 /nfs/dbraw/zinc/70/53/15/711705315.db2.gz LDRXSKAWULCUKC-RDBSUJKOSA-N 2 0 242.407 1.844 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2COCC2(C)C)C1 ZINC000313147688 711713784 /nfs/dbraw/zinc/71/37/84/711713784.db2.gz SVKKGPINQDGLAT-NWDGAFQWSA-N 2 0 226.364 1.343 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000925724581 711728127 /nfs/dbraw/zinc/72/81/27/711728127.db2.gz BKMBRZGFUKLEBG-NEPJUHHUSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H]([NH2+]C[C@]12C[C@H]1CCC2)[C@@H]1CC[NH2+]C1 ZINC000925880004 711761836 /nfs/dbraw/zinc/76/18/36/711761836.db2.gz FVRFSGAGJNOYBO-LPWJVIDDSA-N 2 0 208.349 1.764 20 0 BDADRP Cn1cc(CC[N@H+](C)CCCCCC[NH3+])cn1 ZINC000710714373 711762417 /nfs/dbraw/zinc/76/24/17/711762417.db2.gz PWWVCLPPOXRVRV-UHFFFAOYSA-N 2 0 238.379 1.414 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](CCOCC(F)(F)F)C1 ZINC000160042066 711805746 /nfs/dbraw/zinc/80/57/46/711805746.db2.gz OPMVVKWSMCFQTI-VIFPVBQESA-N 2 0 240.269 1.236 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ncc[nH]1 ZINC000379854587 711812712 /nfs/dbraw/zinc/81/27/12/711812712.db2.gz BKJHXZOCHFZYIJ-VHSXEESVSA-N 2 0 210.325 1.578 20 0 BDADRP CO[C@H]1C[C@@H](C[N@H+](C)C2CCC([NH3+])CC2)C1 ZINC000721906640 711813862 /nfs/dbraw/zinc/81/38/62/711813862.db2.gz BCONADNOVOUYDR-WLOAISHVSA-N 2 0 226.364 1.613 20 0 BDADRP [NH3+]CC[C@H]1CCC[N@H+](C/C=C/Cl)C1 ZINC000069724477 711893489 /nfs/dbraw/zinc/89/34/89/711893489.db2.gz JTOHZEBWKOOZBW-JYBNPQIESA-N 2 0 202.729 1.800 20 0 BDADRP COC[C@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C(C)C ZINC000721916611 711918997 /nfs/dbraw/zinc/91/89/97/711918997.db2.gz YZBWPSLYBJWGAH-XQQFMLRXSA-N 2 0 226.364 1.056 20 0 BDADRP C[N@@H+](Cc1nccs1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000387699190 711968358 /nfs/dbraw/zinc/96/83/58/711968358.db2.gz JBUISHPKLWUSFP-ZJUUUORDSA-N 2 0 225.361 1.702 20 0 BDADRP C[C@H](CC[NH2+][C@@H]1CCO[C@H](C)C1)[NH+](C)C ZINC000700421935 711992990 /nfs/dbraw/zinc/99/29/90/711992990.db2.gz HMOZGDLSJXWKKL-IJLUTSLNSA-N 2 0 214.353 1.484 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)O1 ZINC000702054502 712037448 /nfs/dbraw/zinc/03/74/48/712037448.db2.gz VUXFYJLPHDEXQB-YVECIDJPSA-N 2 0 224.348 1.095 20 0 BDADRP CC1(O)CCC([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000703606820 712080749 /nfs/dbraw/zinc/08/07/49/712080749.db2.gz ZQVADKHESZDNNF-NELGMTEASA-N 2 0 240.391 1.787 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)CC[C@H]1[NH3+] ZINC000708325826 712187366 /nfs/dbraw/zinc/18/73/66/712187366.db2.gz YESNWMVNFSIIAR-IJLUTSLNSA-N 2 0 226.364 1.471 20 0 BDADRP C[NH2+]CC1CC[NH+](C[C@@H]2CC(C)(C)CO2)CC1 ZINC000708324735 712187512 /nfs/dbraw/zinc/18/75/12/712187512.db2.gz UPYWRHFXQSQDKG-ZDUSSCGKSA-N 2 0 240.391 1.733 20 0 BDADRP CC1(C)CO[C@@H](C[N@@H+]2CCC[C@@H](C[NH3+])C2)C1 ZINC000708332140 712188063 /nfs/dbraw/zinc/18/80/63/712188063.db2.gz PMQHDYGCKXYEMX-NWDGAFQWSA-N 2 0 226.364 1.472 20 0 BDADRP CC1(C)CO[C@H](C[N@@H+]2CC[C@@H](CC[NH3+])C2)C1 ZINC000708340092 712189113 /nfs/dbraw/zinc/18/91/13/712189113.db2.gz XYDXLFVEEQRMGS-NEPJUHHUSA-N 2 0 226.364 1.472 20 0 BDADRP OCCCCCC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709998220 712238714 /nfs/dbraw/zinc/23/87/14/712238714.db2.gz XIXJNVFUABUDCO-CQSZACIVSA-N 2 0 240.391 1.615 20 0 BDADRP CC(C)C[C@H](C)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710664629 712265310 /nfs/dbraw/zinc/26/53/10/712265310.db2.gz LRACAHWONPBJKM-ZDUSSCGKSA-N 2 0 242.407 1.810 20 0 BDADRP [NH3+]CC[C@H]1CCC[N@H+](CCOC2CC2)C1 ZINC000711751827 712324844 /nfs/dbraw/zinc/32/48/44/712324844.db2.gz IBIGHIMNTFNLRS-LLVKDONJSA-N 2 0 212.337 1.226 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2CC[NH2+]CCC2(C)C)O1 ZINC000712555630 712445228 /nfs/dbraw/zinc/44/52/28/712445228.db2.gz WYYIDXXHOAEZSP-VXGBXAGGSA-N 2 0 226.364 1.628 20 0 BDADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NCCC[NH+](C)C ZINC000713010236 712451036 /nfs/dbraw/zinc/45/10/36/712451036.db2.gz SMAHMZJWSZNYFI-LLVKDONJSA-N 2 0 243.395 1.064 20 0 BDADRP CC1(C)CCC[C@H](C[NH+]2CCC([NH3+])CC2)O1 ZINC000714368593 712484157 /nfs/dbraw/zinc/48/41/57/712484157.db2.gz NYCMFKMKDLPTKQ-GFCCVEGCSA-N 2 0 226.364 1.757 20 0 BDADRP FC1(F)[C@H]2C[N@H+](C[C@@H]3CCCC[NH2+]C3)C[C@H]21 ZINC000715469446 712520411 /nfs/dbraw/zinc/52/04/11/712520411.db2.gz DVJWPNVJGDBZDY-MXWKQRLJSA-N 2 0 230.302 1.573 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)C1CC1 ZINC000715509649 712524253 /nfs/dbraw/zinc/52/42/53/712524253.db2.gz NWCWXGUUHZIJIW-BFHYXJOUSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)CC[NH2+]1 ZINC000715518245 712524994 /nfs/dbraw/zinc/52/49/94/712524994.db2.gz FPPNIQBLVZFPNQ-DBIOUOCHSA-N 2 0 230.302 1.571 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)CO1 ZINC000715554629 712528345 /nfs/dbraw/zinc/52/83/45/712528345.db2.gz WTKDAKNQHCFVLM-MROQNXINSA-N 2 0 226.364 1.626 20 0 BDADRP CCC[C@@H](CCO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000716815747 712576467 /nfs/dbraw/zinc/57/64/67/712576467.db2.gz TYQXRXSZISWNDF-FUDCBSFHSA-N 2 0 240.391 1.752 20 0 BDADRP CC[C@H](C[C@H](C)O)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000716853571 712578601 /nfs/dbraw/zinc/57/86/01/712578601.db2.gz PPYUFTGPLFPDKB-RFQIPJPRSA-N 2 0 240.391 1.752 20 0 BDADRP CC1(C)CO[C@H](CC[NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000717282044 712644595 /nfs/dbraw/zinc/64/45/95/712644595.db2.gz FWZOXMFFAWVCDN-UPJWGTAASA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)CCO1 ZINC000719784804 712824852 /nfs/dbraw/zinc/82/48/52/712824852.db2.gz YZUSZZUQSSPZJJ-NEPJUHHUSA-N 2 0 212.337 1.097 20 0 BDADRP CN(C[C@@H]1C[C@H]2CCC[C@H]2O1)CC(C)(C)[NH3+] ZINC000720792037 712865936 /nfs/dbraw/zinc/86/59/36/712865936.db2.gz BUYUPFOTPTUETQ-GRYCIOLGSA-N 2 0 226.364 1.613 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@H](CO)C1CC1 ZINC000381326866 710622995 /nfs/dbraw/zinc/62/29/95/710622995.db2.gz RJOCASQQZIZWDB-CHWSQXEVSA-N 2 0 226.364 1.221 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)C1 ZINC000721909210 710689265 /nfs/dbraw/zinc/68/92/65/710689265.db2.gz RBSSESJGOITJGP-LPWJVIDDSA-N 2 0 226.364 1.471 20 0 BDADRP COC[C@H](C[N@@H+]1CC[C@@H](C[NH3+])C1)C(C)C ZINC000721915169 710688662 /nfs/dbraw/zinc/68/86/62/710688662.db2.gz UDXBEBARNXRJAE-RYUDHWBXSA-N 2 0 214.353 1.186 20 0 BDADRP C[C@H]([NH2+]CCC(C)(C)[NH3+])c1cnn(C)c1 ZINC000393806429 710757851 /nfs/dbraw/zinc/75/78/51/710757851.db2.gz XMMANNLCNDOGHZ-VIFPVBQESA-N 2 0 210.325 1.198 20 0 BDADRP C1CCC([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000382117200 710794329 /nfs/dbraw/zinc/79/43/29/710794329.db2.gz FTQKWNLVVBCPFA-WXDOIIRRSA-N 2 0 206.333 1.515 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@H]2CSC2(C)C)CC1 ZINC000393851077 710811458 /nfs/dbraw/zinc/81/14/58/710811458.db2.gz XELVRDJFWGTVIZ-NSHDSACASA-N 2 0 228.405 1.812 20 0 BDADRP C[C@H](C[NH3+])N(C)C[C@@H](O)CC1CCCC1 ZINC000382977584 710976396 /nfs/dbraw/zinc/97/63/96/710976396.db2.gz NWIOMBVKRPMKDC-PWSUYJOCSA-N 2 0 214.353 1.207 20 0 BDADRP c1ccc(CC[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000384056824 710988207 /nfs/dbraw/zinc/98/82/07/710988207.db2.gz XNCCTTJAUJESCV-LSDHHAIUSA-N 2 0 230.355 1.770 20 0 BDADRP C[NH+](C)C1(CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CCC1 ZINC000385510096 711014802 /nfs/dbraw/zinc/01/48/02/711014802.db2.gz ASORLOWTOABCRY-QSLWVIQJSA-N 2 0 249.402 1.057 20 0 BDADRP CC(C)([NH3+])CC[NH2+][C@H]1CCCSC1 ZINC000388859499 711069558 /nfs/dbraw/zinc/06/95/58/711069558.db2.gz DNFCLWMKQXGZLP-VIFPVBQESA-N 2 0 202.367 1.599 20 0 BDADRP CC(C)C[C@H](O)C[NH2+][C@H](C)CCCC[NH3+] ZINC000389587799 711080946 /nfs/dbraw/zinc/08/09/46/711080946.db2.gz ADRIFPIFATZLIM-NEPJUHHUSA-N 2 0 216.369 1.501 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CSC[C@@H]2C)C1 ZINC000389630400 711084022 /nfs/dbraw/zinc/08/40/22/711084022.db2.gz LZWCANVUMKNPJG-QJPTWQEYSA-N 2 0 228.405 1.669 20 0 BDADRP CCN(C[C@H]([NH3+])CC(F)F)C[C@@H]1CCCO1 ZINC000390254018 711110189 /nfs/dbraw/zinc/11/01/89/711110189.db2.gz VLOMTAYHBVVWRC-ZJUUUORDSA-N 2 0 236.306 1.470 20 0 BDADRP Cc1cc(C[NH2+]CCCC[NH+](C)C)no1 ZINC000390405210 711114835 /nfs/dbraw/zinc/11/48/35/711114835.db2.gz UVOSNGVBIHGESZ-UHFFFAOYSA-N 2 0 211.309 1.414 20 0 BDADRP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C1CCC1 ZINC000392838465 711153636 /nfs/dbraw/zinc/15/36/36/711153636.db2.gz PAMKMLHUDATVDK-VXCXXBFVSA-N 2 0 220.360 1.761 20 0 BDADRP C(CC1CC1)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000394487076 711193685 /nfs/dbraw/zinc/19/36/85/711193685.db2.gz IGLJZTWOXYHXQK-STQMWFEESA-N 2 0 208.349 1.860 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1NCC[NH+]1CCCCCC1 ZINC000396596564 711355623 /nfs/dbraw/zinc/35/56/23/711355623.db2.gz LTWQDAGFJZFYFO-KBPBESRZSA-N 2 0 239.407 1.593 20 0 BDADRP CC[NH+](CC)CCCN[C@H]1CCC[NH2+][C@@H]1C ZINC000396591808 711357499 /nfs/dbraw/zinc/35/74/99/711357499.db2.gz CQCSWZYPMWYADK-OLZOCXBDSA-N 2 0 227.396 1.448 20 0 BDADRP FC(F)OCCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000398192746 711404409 /nfs/dbraw/zinc/40/44/09/711404409.db2.gz KRSICQJSQWUKRU-OGBGREFGSA-N 2 0 246.301 1.202 20 0 BDADRP FC(F)OCCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000398192744 711404693 /nfs/dbraw/zinc/40/46/93/711404693.db2.gz KRSICQJSQWUKRU-MFDAYCCISA-N 2 0 246.301 1.202 20 0 BDADRP C[C@H]1COCC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000399164747 711423334 /nfs/dbraw/zinc/42/33/34/711423334.db2.gz MUBWFZHBWSUHBE-CYBMUJFWSA-N 2 0 240.391 1.735 20 0 BDADRP C[N@H+](CCC[NH3+])CC[C@H]1CC1(Cl)Cl ZINC000399270091 711426263 /nfs/dbraw/zinc/42/62/63/711426263.db2.gz UAKHGSWWWCBSJJ-QMMMGPOBSA-N 2 0 225.163 1.851 20 0 BDADRP C[C@@H]1COCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000399302352 711426893 /nfs/dbraw/zinc/42/68/93/711426893.db2.gz JKWQUYJVYYQNOQ-LBPRGKRZSA-N 2 0 226.364 1.344 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000721969935 710695378 /nfs/dbraw/zinc/69/53/78/710695378.db2.gz FOTIIUGGEGWOEH-KPWCQOOUSA-N 2 0 238.375 1.343 20 0 BDADRP Cc1ccc(CC[NH2+]CC2CC[NH+](C)CC2)nc1 ZINC000399638058 710910295 /nfs/dbraw/zinc/91/02/95/710910295.db2.gz BBYFSHSPXBKVOQ-UHFFFAOYSA-N 2 0 247.386 1.864 20 0 BDADRP CC(C)OCCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000383065044 710923802 /nfs/dbraw/zinc/92/38/02/710923802.db2.gz OMFUTIJOBORHFJ-YHQUGGNUSA-N 2 0 238.375 1.388 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]Cc2cc[nH]c(=O)c2)CC[N@@H+]1C ZINC000392645035 711150453 /nfs/dbraw/zinc/15/04/53/711150453.db2.gz RADFWXWGXKPCIK-ZYHUDNBSSA-N 2 0 235.331 1.360 20 0 BDADRP CC(C)=CCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000397754206 711390522 /nfs/dbraw/zinc/39/05/22/711390522.db2.gz NOGOZUGVYRJSOR-YHQUGGNUSA-N 2 0 220.360 1.929 20 0 BDADRP CSC[C@H]1CCC[N@@H+]1CCC[NH2+]C1CC1 ZINC000400003585 711437714 /nfs/dbraw/zinc/43/77/14/711437714.db2.gz PSQQZBLUQZHTNE-GFCCVEGCSA-N 2 0 228.405 1.956 20 0 BDADRP CC[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H](C)CO1 ZINC000717970603 711492833 /nfs/dbraw/zinc/49/28/33/711492833.db2.gz PJDNLNZBPHGHRR-NDBYEHHHSA-N 2 0 226.364 1.613 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC000723711553 711536094 /nfs/dbraw/zinc/53/60/94/711536094.db2.gz DGHZTOHQOYPSBB-SNVBAGLBSA-N 2 0 239.750 1.906 20 0 BDADRP C[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1CC[NH3+] ZINC000723886009 711543525 /nfs/dbraw/zinc/54/35/25/711543525.db2.gz FXPIKIPVLYKPHN-DGCLKSJQSA-N 2 0 226.364 1.330 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)C1 ZINC000715455544 711547132 /nfs/dbraw/zinc/54/71/32/711547132.db2.gz BCGYEWQVFMXNIP-QCLAVDOMSA-N 2 0 216.275 1.311 20 0 BDADRP OC[C@H]1CCCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000125137996 711608188 /nfs/dbraw/zinc/60/81/88/711608188.db2.gz OJXXHZWCEPCBRN-CYBMUJFWSA-N 2 0 226.364 1.223 20 0 BDADRP COCC(C)(C)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000392962279 711675136 /nfs/dbraw/zinc/67/51/36/711675136.db2.gz POKNWAVXAAYGID-JZRPKSSGSA-N 2 0 238.375 1.245 20 0 BDADRP CC[C@H](O)C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000168541256 711684606 /nfs/dbraw/zinc/68/46/06/711684606.db2.gz OKIZTVLPFZBMFA-ZDUSSCGKSA-N 2 0 226.364 1.221 20 0 BDADRP COC[C@H](C[N@@H+]1CC[C@H](C[NH3+])C1)C(C)C ZINC000721915167 711694293 /nfs/dbraw/zinc/69/42/93/711694293.db2.gz UDXBEBARNXRJAE-NEPJUHHUSA-N 2 0 214.353 1.186 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)C1 ZINC000721928803 711694556 /nfs/dbraw/zinc/69/45/56/711694556.db2.gz VQDLSSMZUJPJGR-LPWJVIDDSA-N 2 0 226.364 1.328 20 0 BDADRP C[C@@H]1CCC[N@H+](CCN[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000925548663 711700258 /nfs/dbraw/zinc/70/02/58/711700258.db2.gz DAWAOHMLOFEQCR-RDBSUJKOSA-N 2 0 239.407 1.448 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CC2CC[NH2+]CC2)C1 ZINC000925689161 711709515 /nfs/dbraw/zinc/70/95/15/711709515.db2.gz HDRRUVAPZNUYFX-CHWSQXEVSA-N 3 0 239.407 1.482 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925711456 711711279 /nfs/dbraw/zinc/71/12/79/711711279.db2.gz ZFUYROWIYSCVSX-WXRRBKDZSA-N 3 0 239.407 1.589 20 0 BDADRP C[C@@H]1NCCC[C@H]1[NH2+]CCCCCC[NH3+] ZINC000925711353 711711384 /nfs/dbraw/zinc/71/13/84/711711384.db2.gz MUEKDYJCQJPCDP-NWDGAFQWSA-N 2 0 213.369 1.236 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1C=CCC1 ZINC000925712099 711711841 /nfs/dbraw/zinc/71/18/41/711711841.db2.gz OVUZJDXFNMNPQB-IJLVLRJLSA-N 2 0 206.333 1.811 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@H]2CCCc3n[nH]cc32)CC1 ZINC000334483907 711717005 /nfs/dbraw/zinc/71/70/05/711717005.db2.gz YYPZUWVTFNXLEY-CYBMUJFWSA-N 2 0 248.374 1.719 20 0 BDADRP OC[C@@H]1CCCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000125138253 711717636 /nfs/dbraw/zinc/71/76/36/711717636.db2.gz OJXXHZWCEPCBRN-ZDUSSCGKSA-N 2 0 226.364 1.223 20 0 BDADRP CC[C@@H]1C[C@H]1C[NH+]1CCC(C[NH2+]C)CC1 ZINC000723080873 711726162 /nfs/dbraw/zinc/72/61/62/711726162.db2.gz RSNOIDKNLLIRLG-OLZOCXBDSA-N 2 0 210.365 1.964 20 0 BDADRP CC1CC(C[NH2+][C@H]2[C@@H]3COC[C@H]2C[C@@H]([NH3+])C3)C1 ZINC000925722801 711726539 /nfs/dbraw/zinc/72/65/39/711726539.db2.gz ZLUHPSCWBIEBIA-JRMZRLHISA-N 2 0 238.375 1.374 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000925724583 711728467 /nfs/dbraw/zinc/72/84/67/711728467.db2.gz BKMBRZGFUKLEBG-NWDGAFQWSA-N 2 0 239.407 1.495 20 0 BDADRP CCC1([NH3+])CCN([C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000925759810 711735875 /nfs/dbraw/zinc/73/58/75/711735875.db2.gz HUWLRUDPOAWWRZ-CHWSQXEVSA-N 2 0 239.407 1.707 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@H]1CC[C@@H](C2CC2)O1 ZINC000722324426 711737590 /nfs/dbraw/zinc/73/75/90/711737590.db2.gz KNQRNLYVYMCPAS-XQHKEYJVSA-N 2 0 238.375 1.659 20 0 BDADRP [NH3+]C1(C[NH2+]C[C@H]2CC[C@@H](C3CC3)O2)CCC1 ZINC000722325451 711737779 /nfs/dbraw/zinc/73/77/79/711737779.db2.gz YTBHQCUEXZSNRJ-NEPJUHHUSA-N 2 0 224.348 1.415 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)CCO1 ZINC000925845613 711760591 /nfs/dbraw/zinc/76/05/91/711760591.db2.gz MQHAEVDYQLPRAI-AAVRWANBSA-N 2 0 238.375 1.676 20 0 BDADRP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925875451 711761597 /nfs/dbraw/zinc/76/15/97/711761597.db2.gz HKZBKSFZQKSYKA-GDPRMGEGSA-N 2 0 222.336 1.496 20 0 BDADRP CCOCCOCC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000925875557 711761639 /nfs/dbraw/zinc/76/16/39/711761639.db2.gz UNXVYZQFBFTMMQ-CHWSQXEVSA-N 2 0 244.379 1.289 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@]12C[C@H]1CCC2 ZINC000925880308 711762031 /nfs/dbraw/zinc/76/20/31/711762031.db2.gz IZYUFFCFEDEJCP-LOWDOPEQSA-N 2 0 208.349 1.894 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cc2n(n1)CCC2 ZINC000925879374 711762078 /nfs/dbraw/zinc/76/20/78/711762078.db2.gz CMGYEUDJUPGCJR-TUAOUCFPSA-N 2 0 248.374 1.607 20 0 BDADRP CC(C)[C@H]([NH3+])c1noc([C@H]2CC[N@H+](C)C2)n1 ZINC000721349930 711803056 /nfs/dbraw/zinc/80/30/56/711803056.db2.gz IPTKGSBPOAANKM-IUCAKERBSA-N 2 0 224.308 1.145 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cccc(O)c2)C1 ZINC000160072850 711805677 /nfs/dbraw/zinc/80/56/77/711805677.db2.gz OWWNIOOTTFONQO-LLVKDONJSA-N 2 0 220.316 1.563 20 0 BDADRP C[C@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C[C@@H]1C[NH3+] ZINC000229084087 711837589 /nfs/dbraw/zinc/83/75/89/711837589.db2.gz OQJWCQZFKBXCLG-AEGPPILISA-N 2 0 248.370 1.637 20 0 BDADRP Cc1noc(C)c1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000086109928 711960950 /nfs/dbraw/zinc/96/09/50/711960950.db2.gz LKYKTRQQQOGKHJ-ZYHUDNBSSA-N 2 0 223.320 1.508 20 0 BDADRP C[C@@H](CC[NH2+][C@@H]1CCO[C@H](C)C1)[NH+](C)C ZINC000700421936 711992753 /nfs/dbraw/zinc/99/27/53/711992753.db2.gz HMOZGDLSJXWKKL-QJPTWQEYSA-N 2 0 214.353 1.484 20 0 BDADRP COC[C@H](C)C[NH2+]CC[C@H](C)[NH+](C)C ZINC000700489455 711994587 /nfs/dbraw/zinc/99/45/87/711994587.db2.gz RMWISZVAAXLOPZ-MNOVXSKESA-N 2 0 202.342 1.199 20 0 BDADRP COCC(C)(C)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000700599603 711999976 /nfs/dbraw/zinc/99/99/76/711999976.db2.gz FQNJYNKZRJXOHE-UHFFFAOYSA-N 2 0 228.380 1.861 20 0 BDADRP C[C@H](C[C@H]1CCOC1)[NH2+]CC[C@@H](C)[NH+](C)C ZINC000700602492 712000325 /nfs/dbraw/zinc/00/03/25/712000325.db2.gz BJQNMGNIWMTQSW-JHJVBQTASA-N 2 0 228.380 1.731 20 0 BDADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2COCC2(C)C)C1 ZINC000700793546 712004921 /nfs/dbraw/zinc/00/49/21/712004921.db2.gz RQJOFLPLRWJURF-OLZOCXBDSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1OC[C@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)[C@@H]1C ZINC000700791423 712004968 /nfs/dbraw/zinc/00/49/68/712004968.db2.gz KDHXTAOFFCFRCM-RQJABVFESA-N 2 0 240.391 1.731 20 0 BDADRP C[N@@H+]1C[C@@H]2CN(CCC[NH2+]C3CC3)C[C@]2(C)C1 ZINC000702313032 712043969 /nfs/dbraw/zinc/04/39/69/712043969.db2.gz XBQKHKORKAZHPH-OCCSQVGLSA-N 2 0 237.391 1.012 20 0 BDADRP C[N@@H+]1C[C@@H]2C[NH+](CCCCCO)C[C@]2(C)C1 ZINC000702284785 712044719 /nfs/dbraw/zinc/04/47/19/712044719.db2.gz NXCDPDGZCYQJQK-OLZOCXBDSA-N 2 0 226.364 1.033 20 0 BDADRP CC1(O)CCC([NH2+][C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000703602932 712082289 /nfs/dbraw/zinc/08/22/89/712082289.db2.gz MSSUJIPRKNXHKK-IGJPJIBNSA-N 2 0 226.364 1.397 20 0 BDADRP COC1CC(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000703855413 712090801 /nfs/dbraw/zinc/09/08/01/712090801.db2.gz LUKKIOZBLHVARG-WXRRBKDZSA-N 2 0 224.348 1.097 20 0 BDADRP C[N@H+](CCn1cccn1)C[C@H]1CCCC[NH2+]C1 ZINC000707494289 712172509 /nfs/dbraw/zinc/17/25/09/712172509.db2.gz FIPDHIADFULEFQ-ZDUSSCGKSA-N 2 0 236.363 1.205 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](C[C@@H]2CC(C)(C)CO2)CC1 ZINC000708329067 712187033 /nfs/dbraw/zinc/18/70/33/712187033.db2.gz ASSNHXIPPSKXHE-YPMHNXCESA-N 2 0 240.391 1.861 20 0 BDADRP CC1(C)CO[C@@H](C[N@@H+]2CCC[C@@H](CC[NH3+])C2)C1 ZINC000708334272 712188000 /nfs/dbraw/zinc/18/80/00/712188000.db2.gz YONPXMBQMGMQHN-QWHCGFSZSA-N 2 0 240.391 1.862 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)CC[C@H]1[NH3+] ZINC000708332116 712188199 /nfs/dbraw/zinc/18/81/99/712188199.db2.gz PHLCUMQOWMGDJD-FRRDWIJNSA-N 2 0 240.391 1.861 20 0 BDADRP CC1(C)CO[C@@H](C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000708347565 712189856 /nfs/dbraw/zinc/18/98/56/712189856.db2.gz JQQPAVHQDURORB-TZMCWYRMSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@@H](O)[C@@H]1CCC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000709414407 712221457 /nfs/dbraw/zinc/22/14/57/712221457.db2.gz JHVCLUMBCUTJLR-TZMCWYRMSA-N 2 0 240.391 1.421 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+]C1CCOCC1)[NH2+]2 ZINC000709434721 712221741 /nfs/dbraw/zinc/22/17/41/712221741.db2.gz JZHVWNHCKUXJJK-GWNIPJSYSA-N 2 0 224.348 1.284 20 0 BDADRP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+]C1CCOCC1)[NH2+]2 ZINC000709434725 712221852 /nfs/dbraw/zinc/22/18/52/712221852.db2.gz JZHVWNHCKUXJJK-SYEHKZFSSA-N 2 0 224.348 1.284 20 0 BDADRP C[C@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+]C1CCOCC1)[NH2+]2 ZINC000709434719 712221876 /nfs/dbraw/zinc/22/18/76/712221876.db2.gz JZHVWNHCKUXJJK-FTYKPCCVSA-N 2 0 224.348 1.284 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)O1 ZINC000709789042 712226697 /nfs/dbraw/zinc/22/66/97/712226697.db2.gz GAZYNNXUQWRZSC-MCIONIFRSA-N 2 0 238.375 1.629 20 0 BDADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccncc1)C2 ZINC000709822286 712228789 /nfs/dbraw/zinc/22/87/89/712228789.db2.gz GHHZGPKPWHMDSF-XQQFMLRXSA-N 2 0 217.316 1.393 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1ccns1 ZINC000709824819 712228902 /nfs/dbraw/zinc/22/89/02/712228902.db2.gz JBPGDLPIQFNBCI-PWSUYJOCSA-N 2 0 239.388 1.793 20 0 BDADRP C[NH+](C)C[C@@](C)(O)C[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000710895836 712261988 /nfs/dbraw/zinc/26/19/88/712261988.db2.gz HKSKPZAPHCLTQJ-CRWXNKLISA-N 2 0 240.391 1.467 20 0 BDADRP [NH3+]CCC[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000710621746 712264044 /nfs/dbraw/zinc/26/40/44/712264044.db2.gz YEHQVFDGUUCBCB-VIFPVBQESA-N 2 0 211.334 1.281 20 0 BDADRP CCC(CC)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710665709 712265616 /nfs/dbraw/zinc/26/56/16/712265616.db2.gz UDWYYEGVGLCRRP-UHFFFAOYSA-N 2 0 242.407 1.811 20 0 BDADRP FC[C@@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000711456750 712305033 /nfs/dbraw/zinc/30/50/33/712305033.db2.gz UBLUKNRHUGKIRX-NSHDSACASA-N 2 0 214.328 1.810 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CCCCN1CCOC1CC1 ZINC000711732677 712320683 /nfs/dbraw/zinc/32/06/83/712320683.db2.gz RSGYUVQSNQDHTR-ZYHUDNBSSA-N 2 0 212.337 1.367 20 0 BDADRP C1=C[C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000711758237 712324686 /nfs/dbraw/zinc/32/46/86/712324686.db2.gz HDPUOUBJJLYBIM-REWJHTLYSA-N 2 0 220.360 1.930 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2C=CCC2)C12CCC2 ZINC000711754243 712324921 /nfs/dbraw/zinc/32/49/21/712324921.db2.gz TZYWZAGMWGPOTE-IJLUTSLNSA-N 2 0 206.333 1.812 20 0 BDADRP Cc1ccc([C@H](O)C[N@@H+]2CC[C@H](CC[NH3+])C2)cc1 ZINC000923480363 712334976 /nfs/dbraw/zinc/33/49/76/712334976.db2.gz XUXLUVCSXBZRMU-DZGCQCFKSA-N 2 0 248.370 1.699 20 0 BDADRP CC[C@@H](CO)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000379007785 712367956 /nfs/dbraw/zinc/36/79/56/712367956.db2.gz IFYCWOKJZFYWCS-STQMWFEESA-N 2 0 228.380 1.564 20 0 BDADRP [NH3+]CC1CC[NH+](C[C@@H]2CCC3(CCC3)O2)CC1 ZINC000712435024 712379044 /nfs/dbraw/zinc/37/90/44/712379044.db2.gz CRIAFPGOHBSGMD-ZDUSSCGKSA-N 2 0 238.375 1.759 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](CCCCCF)C1 ZINC000379503509 712386254 /nfs/dbraw/zinc/38/62/54/712386254.db2.gz OHFBPQBRGCDZEJ-NSHDSACASA-N 2 0 202.317 1.797 20 0 BDADRP C[N@@H+]1CCCN(CCC[NH2+]CC2CC2)CC1 ZINC000381344555 712396125 /nfs/dbraw/zinc/39/61/25/712396125.db2.gz YOEJURINGDTUKB-UHFFFAOYSA-N 2 0 225.380 1.014 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1C[C@H]1C1CC1)C1C[NH2+]C1 ZINC000712738754 712448599 /nfs/dbraw/zinc/44/85/99/712448599.db2.gz CLVZLMORJOJQIC-XWIASGKRSA-N 2 0 208.349 1.620 20 0 BDADRP C[NH2+]CCCN(C)C(=O)C(C)(C)[C@@H]([NH3+])C(C)C ZINC000713009522 712451068 /nfs/dbraw/zinc/45/10/68/712451068.db2.gz QCQIJNGNBFJDAP-NSHDSACASA-N 2 0 243.395 1.064 20 0 BDADRP C(CN1CC[NH2+]CCC12CCC2)OC1CC1 ZINC000713263314 712457351 /nfs/dbraw/zinc/45/73/51/712457351.db2.gz QDLRVVHPWYQKMX-UHFFFAOYSA-N 2 0 224.348 1.383 20 0 BDADRP C[N@H+](CCCOC(F)(F)F)CC(C)(C)[NH3+] ZINC000713424913 712459747 /nfs/dbraw/zinc/45/97/47/712459747.db2.gz YSRZFHOFFZRKJH-UHFFFAOYSA-N 2 0 228.258 1.582 20 0 BDADRP C=C/C=C/CC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000713749529 712471105 /nfs/dbraw/zinc/47/11/05/712471105.db2.gz QQLUNSIUBFGHFI-XGACYXMMSA-N 2 0 235.375 1.098 20 0 BDADRP C=C/C=C/CC[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000713751706 712471117 /nfs/dbraw/zinc/47/11/17/712471117.db2.gz ZXMXYLCVSNPBKW-XGACYXMMSA-N 2 0 235.375 1.098 20 0 BDADRP COC[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)C1 ZINC000714436071 712486632 /nfs/dbraw/zinc/48/66/32/712486632.db2.gz JOHSBKDTJRRDRK-BETUJISGSA-N 2 0 226.364 1.343 20 0 BDADRP CCC1([NH3+])CC[NH+](CC(C)(C)COC)CC1 ZINC000714756725 712497891 /nfs/dbraw/zinc/49/78/91/712497891.db2.gz MSDRMMDGVJONAD-UHFFFAOYSA-N 2 0 228.380 1.862 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CC[C@@H](C3CC3)O2)C[C@H]1C[NH3+] ZINC000715421957 712518370 /nfs/dbraw/zinc/51/83/70/712518370.db2.gz DKCRZJWMJRFSFD-ZRJCITRHSA-N 2 0 238.375 1.471 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](C[C@H]2CC[C@@H](C3CC3)O2)C1 ZINC000715509180 712524224 /nfs/dbraw/zinc/52/42/24/712524224.db2.gz MIUQNUNEVZQLKV-YUTCNCBUSA-N 2 0 238.375 1.615 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@H]2COCC2(C)C)CC1 ZINC000715554652 712528198 /nfs/dbraw/zinc/52/81/98/712528198.db2.gz WWRQTGSGZWLONU-BPCQOVAHSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]1COC[C@@H]1[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000715562833 712528875 /nfs/dbraw/zinc/52/88/75/712528875.db2.gz RKBPVHXUYSWXLK-XQHKEYJVSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@@]1(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCOC1 ZINC000925486501 712610827 /nfs/dbraw/zinc/61/08/27/712610827.db2.gz HTKQDRSTYDPJGD-DYEKYZERSA-N 2 0 240.391 1.909 20 0 BDADRP [NH3+]CCC[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000379817532 712611645 /nfs/dbraw/zinc/61/16/45/712611645.db2.gz RZHOVHSSWDRCFV-KXUCPTDWSA-N 2 0 232.418 1.304 20 0 BDADRP CC(C)[C@H](C)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000717052842 712625643 /nfs/dbraw/zinc/62/56/43/712625643.db2.gz WWBQTKFXZUZYEE-VHSXEESVSA-N 2 0 220.307 1.865 20 0 BDADRP C1=CCC(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000717355922 712650507 /nfs/dbraw/zinc/65/05/07/712650507.db2.gz KMHFPGSXWMWZLR-QSLWVIQJSA-N 2 0 218.344 1.539 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)NCCC[NH+]1CCCC1 ZINC000037621468 712682302 /nfs/dbraw/zinc/68/23/02/712682302.db2.gz HUTLJFIIEXOUJO-ZDUSSCGKSA-N 2 0 241.379 1.106 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC=CO2)C1 ZINC000380029654 712683606 /nfs/dbraw/zinc/68/36/06/712683606.db2.gz YEKMNVZRJTYMHW-UTUOFQBUSA-N 2 0 210.321 1.539 20 0 BDADRP C1CC1[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925495414 712698637 /nfs/dbraw/zinc/69/86/37/712698637.db2.gz NGHNQCLHGOSVHA-GXTWGEPZSA-N 2 0 249.402 1.487 20 0 BDADRP C[C@H]([NH2+]CCc1cccnc1)C1CC[NH+](C)CC1 ZINC000037718010 712750037 /nfs/dbraw/zinc/75/00/37/712750037.db2.gz AKFREQUMTCGSGT-ZDUSSCGKSA-N 2 0 247.386 1.944 20 0 BDADRP COCC(C)(C)CC[NH2+]CC1CC[NH+](C)CC1 ZINC000718669197 712776686 /nfs/dbraw/zinc/77/66/86/712776686.db2.gz ZHIRRQJJGYEYQW-UHFFFAOYSA-N 2 0 242.407 1.981 20 0 BDADRP CSCC1CC[NH+](CCOCC[NH3+])CC1 ZINC000719306612 712804135 /nfs/dbraw/zinc/80/41/35/712804135.db2.gz GFKPIMSVUVVGIE-UHFFFAOYSA-N 2 0 232.393 1.037 20 0 BDADRP C[C@@H]1CC[N@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000719755230 712822624 /nfs/dbraw/zinc/82/26/24/712822624.db2.gz KADCGFQSDDLWKU-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP C[N@H+](C[C@]1(C)CCC[NH2+]C1)[C@H]1CCOC1 ZINC000250811732 712834938 /nfs/dbraw/zinc/83/49/38/712834938.db2.gz UTCSNLJOYZSOLR-NWDGAFQWSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2CCCC[NH2+]C2)CCO1 ZINC000720415088 712841250 /nfs/dbraw/zinc/84/12/50/712841250.db2.gz KODATGCFFGSPCO-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP CC1(C)CN(C[C@@H]2C[C@@H]3CCC[C@H]3O2)C[C@@H]1[NH3+] ZINC000720790207 712866078 /nfs/dbraw/zinc/86/60/78/712866078.db2.gz WAYBOLNGYRODME-RVMXOQNASA-N 2 0 238.375 1.613 20 0 BDADRP CC[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720869951 712871729 /nfs/dbraw/zinc/87/17/29/712871729.db2.gz AHEGJGOCWWIQKH-YIZRAAEISA-N 2 0 224.270 1.854 20 0 BDADRP CC(C)[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720869071 712871997 /nfs/dbraw/zinc/87/19/97/712871997.db2.gz CBAWWBCUWDSMBP-JGVFFNPUSA-N 2 0 210.243 1.464 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+](C[C@H]1CCCO1)CC2 ZINC001207887932 956875713 /nfs/dbraw/zinc/87/57/13/956875713.db2.gz SAXGFAQWYQYTLO-GFCCVEGCSA-N 2 0 224.348 1.193 20 0 BDADRP C[C@@H]1CC[C@@H](NC[C@@H]2CCC[N@H+](C)C2)C[NH2+]1 ZINC000399027807 958494152 /nfs/dbraw/zinc/49/41/52/958494152.db2.gz IBQLZKHZFJXZLF-FRRDWIJNSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H]1CSC[C@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000308963257 959551334 /nfs/dbraw/zinc/55/13/34/959551334.db2.gz KQMOWRJLUJYFAS-VXGBXAGGSA-N 2 0 228.405 1.813 20 0 BDADRP C[NH+]1CCC(C[NH+]2CCC3(COC3)CC2)CC1 ZINC001207391273 959624745 /nfs/dbraw/zinc/62/47/45/959624745.db2.gz AMNIQKPBYKVUJM-UHFFFAOYSA-N 2 0 238.375 1.441 20 0 BDADRP C[NH2+]CCNc1ccc([C@H]2CCC[NH2+]2)cc1 ZINC001167723868 960230925 /nfs/dbraw/zinc/23/09/25/960230925.db2.gz DEXOWMYBTWMVKV-CYBMUJFWSA-N 2 0 219.332 1.742 20 0 BDADRP C[C@@H]1CC[N@H+](CC2CC[NH+](C)CC2)C[C@@H]1O ZINC000709406951 960580814 /nfs/dbraw/zinc/58/08/14/960580814.db2.gz NOSXYCJBSKBCAQ-YPMHNXCESA-N 2 0 226.364 1.031 20 0 BDADRP CC(C)[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001268670556 962260228 /nfs/dbraw/zinc/26/02/28/962260228.db2.gz FAXYEQVFABEEAX-NEPJUHHUSA-N 2 0 243.395 1.075 20 0 BDADRP CCC[N@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C(C)C ZINC001268760633 962336232 /nfs/dbraw/zinc/33/62/32/962336232.db2.gz WOVBUVBDSZPYDN-GFCCVEGCSA-N 2 0 243.395 1.173 20 0 BDADRP C[NH+](C)C1CCC(n2cc(CC[NH3+])cn2)CC1 ZINC001168298470 964387771 /nfs/dbraw/zinc/38/77/71/964387771.db2.gz WDTHSSYJOFQQMS-UHFFFAOYSA-N 2 0 236.363 1.430 20 0 BDADRP C[NH+]1CCC(CCNC2=[NH+]CCCCN2)CC1 ZINC000697668671 964490885 /nfs/dbraw/zinc/49/08/85/964490885.db2.gz AOJGTZFJYHRXIO-UHFFFAOYSA-N 2 0 238.379 1.047 20 0 BDADRP COCC1(C[NH2+]CC[C@@H](C)[NH+](C)C)CCC1 ZINC000697854637 964570318 /nfs/dbraw/zinc/57/03/18/964570318.db2.gz ZMRLYTXFJQFSNO-GFCCVEGCSA-N 2 0 228.380 1.733 20 0 BDADRP C[C@@H](CC[NH2+][C@@H]1CCOC[C@H]1C)[NH+](C)C ZINC000697891322 964650843 /nfs/dbraw/zinc/65/08/43/964650843.db2.gz RLPBRZIHCRKVBK-GRYCIOLGSA-N 2 0 214.353 1.341 20 0 BDADRP Cc1ccnc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205094659 965729582 /nfs/dbraw/zinc/72/95/82/965729582.db2.gz NSPSRXAYDPQHSY-GFCCVEGCSA-N 2 0 219.332 1.703 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCc2cnccc2C1 ZINC001204848800 967200701 /nfs/dbraw/zinc/20/07/01/967200701.db2.gz UNELUMLJWMGHQW-UHFFFAOYSA-N 2 0 205.305 1.179 20 0 BDADRP Cc1nc(F)ccc1C[NH+]1CCC(C[NH3+])CC1 ZINC001205053432 967307179 /nfs/dbraw/zinc/30/71/79/967307179.db2.gz MSZWSUYGBBQUFY-UHFFFAOYSA-N 2 0 237.322 1.700 20 0 BDADRP C[C@H]1CC[N@H+](Cc2cnco2)CC[C@H]1C[NH3+] ZINC001205627607 967738359 /nfs/dbraw/zinc/73/83/59/967738359.db2.gz RDLHOQYTZBBGRH-QWRGUYRKSA-N 2 0 223.320 1.481 20 0 BDADRP C[NH2+]C1CC[NH+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC1 ZINC000693392816 967875368 /nfs/dbraw/zinc/87/53/68/967875368.db2.gz LJUPGXNJXHSRAQ-YHPBZONMSA-N 2 0 244.329 1.962 20 0 BDADRP COC1CC(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000703882325 967882026 /nfs/dbraw/zinc/88/20/26/967882026.db2.gz FOTIIUGGEGWOEH-LLZFXZEUSA-N 2 0 238.375 1.343 20 0 BDADRP CCC[N@H+](CCC[NH+](C)C)C[C@H](O)COCC ZINC001252032245 968452025 /nfs/dbraw/zinc/45/20/25/968452025.db2.gz GQTATOKXCCLEMT-ZDUSSCGKSA-N 2 0 246.395 1.048 20 0 BDADRP CCCC[C@H](O)C[N@@H+]1C[C@@H]2CCCN(C)[C@@H]2C1 ZINC001252098904 968582115 /nfs/dbraw/zinc/58/21/15/968582115.db2.gz XIJJPGJTDRXJOZ-MELADBBJSA-N 2 0 240.391 1.564 20 0 BDADRP C[C@@H]1CC[N@H+](CC(C)(C)C[NH+](C)C)C[C@]1(C)O ZINC001207274723 968705714 /nfs/dbraw/zinc/70/57/14/968705714.db2.gz FLJCGBICZACDLV-OCCSQVGLSA-N 2 0 242.407 1.667 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCCC[C@@H](O)C2)CC1 ZINC001207391722 968745782 /nfs/dbraw/zinc/74/57/82/968745782.db2.gz NLAJGLQOBFNVIO-CYBMUJFWSA-N 2 0 226.364 1.175 20 0 BDADRP CO[C@H](C)C1C[NH+](CC2CC[NH+](C)CC2)C1 ZINC001207401118 968750933 /nfs/dbraw/zinc/75/09/33/968750933.db2.gz LUGXKKXVFPAMIY-LLVKDONJSA-N 2 0 226.364 1.295 20 0 BDADRP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CCC1(F)F ZINC001207436513 968768237 /nfs/dbraw/zinc/76/82/37/968768237.db2.gz LEAPFKOUFSRSOY-SNVBAGLBSA-N 2 0 232.318 1.963 20 0 BDADRP CC(C)N(C)[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC001207440879 968774290 /nfs/dbraw/zinc/77/42/90/968774290.db2.gz IWEOYWYLVPSPDS-CQSZACIVSA-N 2 0 239.407 1.401 20 0 BDADRP C[NH+]1CCC2(C[NH+](C[C@H]3CCCCO3)C2)CC1 ZINC001207959599 968953740 /nfs/dbraw/zinc/95/37/40/968953740.db2.gz NNOLPLUKPXKOBN-CYBMUJFWSA-N 2 0 238.375 1.583 20 0 BDADRP C[NH+]1CCC(C)(C[N@@H+]2CCOC3(CC3)C2)CC1 ZINC001208111335 969008491 /nfs/dbraw/zinc/00/84/91/969008491.db2.gz KIGUJQWSOMQESQ-UHFFFAOYSA-N 2 0 238.375 1.583 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CCCC23COC3)CC1 ZINC001208597293 969151735 /nfs/dbraw/zinc/15/17/35/969151735.db2.gz FSZIRASFZUITMG-UHFFFAOYSA-N 2 0 238.375 1.583 20 0 BDADRP CC[NH+]1CCC(C[NH+]2CC3(C2)CCCO3)CC1 ZINC001208593184 969152300 /nfs/dbraw/zinc/15/23/00/969152300.db2.gz PMPKWNOAYKVNRT-UHFFFAOYSA-N 2 0 238.375 1.583 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CCC[NH+](C)C2)CCCO1 ZINC001208605092 969157614 /nfs/dbraw/zinc/15/76/14/969157614.db2.gz YMZJTZUPPOWDEU-OLZOCXBDSA-N 2 0 226.364 1.439 20 0 BDADRP CO[C@H]1CC[N@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208607595 969163731 /nfs/dbraw/zinc/16/37/31/969163731.db2.gz LPXPEJFECMWVDU-NEPJUHHUSA-N 2 0 212.337 1.049 20 0 BDADRP C[NH+](C)C[C@@H]1CCCN1C[C@@H]1CCC[N@H+](C)C1 ZINC001208608010 969166306 /nfs/dbraw/zinc/16/63/06/969166306.db2.gz FCVSASGANSMMAX-KGLIPLIRSA-N 2 0 239.407 1.354 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@H]2CCC[NH+](C)C2)CC[C@H]1O ZINC001208609152 969165814 /nfs/dbraw/zinc/16/58/14/969165814.db2.gz YPAQAQFEDLWGQK-HZSPNIEDSA-N 2 0 240.391 1.421 20 0 BDADRP CO[C@H](C)C1C[NH+](C[C@@H]2CCC[N@H+](C)C2)C1 ZINC001208616570 969173610 /nfs/dbraw/zinc/17/36/10/969173610.db2.gz KFVSRPZORIOAKR-VXGBXAGGSA-N 2 0 226.364 1.295 20 0 BDADRP CC/C=C\CC[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001208723678 969207226 /nfs/dbraw/zinc/20/72/26/969207226.db2.gz FDWGPVIYDCYWQZ-WAYWQWQTSA-N 2 0 239.407 1.522 20 0 BDADRP CC(C)[C@@H](O)C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001253766149 969384490 /nfs/dbraw/zinc/38/44/90/969384490.db2.gz BUJDLQNSPIEOCL-LBPRGKRZSA-N 2 0 226.364 1.031 20 0 BDADRP CCC[N@H+](CCC[NH+](C)C)C[C@H](O)C(C)C ZINC001253766816 969388574 /nfs/dbraw/zinc/38/85/74/969388574.db2.gz FBKWLHCQFSVLJD-ZDUSSCGKSA-N 2 0 230.396 1.667 20 0 BDADRP CCC[N@H+](CCC[NH+](C)C)CCOC ZINC001209215026 969400632 /nfs/dbraw/zinc/40/06/32/969400632.db2.gz LQACLDVMYNOKOA-UHFFFAOYSA-N 2 0 202.342 1.297 20 0 BDADRP COCC[N@H+](C)[C@H]1CCC[NH+](C)CC1 ZINC001254516019 969693003 /nfs/dbraw/zinc/69/30/03/969693003.db2.gz IPQRNODWMGWVGF-NSHDSACASA-N 2 0 200.326 1.049 20 0 BDADRP C[C@@H]1CC[C@H](CO)C[N@@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254517078 969703554 /nfs/dbraw/zinc/70/35/54/969703554.db2.gz RXZHOUIGHSHCMG-HZSPNIEDSA-N 2 0 240.391 1.564 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH+]2CC3(CCC3)C2)CC1 ZINC001254521287 969706100 /nfs/dbraw/zinc/70/61/00/969706100.db2.gz UUVOQKSLBYCTCS-LBPRGKRZSA-N 2 0 208.349 1.957 20 0 BDADRP CO[C@H](C)C1C[NH+]([C@H]2CCC[N@H+](C)CC2)C1 ZINC001254532106 969733580 /nfs/dbraw/zinc/73/35/80/969733580.db2.gz PDCFXONGLUDKDZ-YPMHNXCESA-N 2 0 226.364 1.437 20 0 BDADRP CC[NH+]1C[C@H]2C[NH+](C3CCSCC3)C[C@@H]2C1 ZINC001255096352 969930952 /nfs/dbraw/zinc/93/09/52/969930952.db2.gz MFVPEIFMLMICRS-RYUDHWBXSA-N 2 0 240.416 1.766 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+]([C@@H]3CCSC3)C[C@@H]2C1 ZINC001255287146 970044610 /nfs/dbraw/zinc/04/46/10/970044610.db2.gz VRRNQLFCKNCYJS-GRYCIOLGSA-N 2 0 226.389 1.375 20 0 BDADRP C[NH+](C)C1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC001255480146 970216042 /nfs/dbraw/zinc/21/60/42/970216042.db2.gz BHJZWWCKZPLGIC-ZDUSSCGKSA-N 2 0 225.380 1.107 20 0 BDADRP CC[C@@H]1C[C@H]([NH+]2CCC([NH+](C)C)CC2)CCO1 ZINC001170205133 970571063 /nfs/dbraw/zinc/57/10/63/970571063.db2.gz VHHHIHFNWLKTIL-ZIAGYGMSSA-N 2 0 240.391 1.970 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]C[C@@H]1CCO1 ZINC001255942027 970574639 /nfs/dbraw/zinc/57/46/39/970574639.db2.gz BEGFRWNIPORJQU-RYUDHWBXSA-N 2 0 214.353 1.485 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H]1C[C@H](CO)C1 ZINC001255942067 970579017 /nfs/dbraw/zinc/57/90/17/970579017.db2.gz BTZLDEIDDZQBCT-JHJVBQTASA-N 2 0 228.380 1.467 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H]1C[C@@H](O)C1 ZINC001255946388 970583630 /nfs/dbraw/zinc/58/36/30/970583630.db2.gz UJECYKACHROAJI-UTUOFQBUSA-N 2 0 214.353 1.220 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N1CCC[N@H+](C)CC1 ZINC001255955393 970586809 /nfs/dbraw/zinc/58/68/09/970586809.db2.gz SBXITTZWWQKOPB-AWEZNQCLSA-N 2 0 241.423 1.744 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N1CC(C)([NH3+])C1 ZINC001255953614 970589233 /nfs/dbraw/zinc/58/92/33/970589233.db2.gz UQLBYQUTNOSZCI-NSHDSACASA-N 2 0 213.369 1.140 20 0 BDADRP COC[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)C(C)C ZINC000400736280 970624209 /nfs/dbraw/zinc/62/42/09/970624209.db2.gz RTWNJJHIOQJMEV-WCQYABFASA-N 2 0 228.380 1.635 20 0 BDADRP C(=C/C1CC1)\C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401011627 970653221 /nfs/dbraw/zinc/65/32/21/970653221.db2.gz HERSOQGWZNKUFG-PBGVXAARSA-N 2 0 220.360 1.930 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+][C@@H]1CCc2ncsc2C1 ZINC001173134519 975040364 /nfs/dbraw/zinc/04/03/64/975040364.db2.gz HYQOROHOMNUNTK-KXUCPTDWSA-N 2 0 237.372 1.470 20 0 BDADRP CCN1CC[C@@H]([NH2+][C@H]2CCN(C3CCC3)C2)C1 ZINC001173353915 975306918 /nfs/dbraw/zinc/30/69/18/975306918.db2.gz SGKMCJUNELTIRJ-OLZOCXBDSA-N 2 0 237.391 1.297 20 0 BDADRP C[NH2+]C[C@@H](C)CN[C@H]1CC[NH2+]C12CCCC2 ZINC001334389739 976488901 /nfs/dbraw/zinc/48/89/01/976488901.db2.gz JGVMZXCYSCOZSM-NEPJUHHUSA-N 2 0 225.380 1.106 20 0 BDADRP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)[C@H](C)O ZINC001335413252 977039618 /nfs/dbraw/zinc/03/96/18/977039618.db2.gz OISYTGSSHKVNFM-NEPJUHHUSA-N 2 0 216.369 1.323 20 0 BDADRP C[C@H](NC(=[NH2+])NCCC[NH+]1CCCC1)C1CC1 ZINC001336889069 978030360 /nfs/dbraw/zinc/03/03/60/978030360.db2.gz PCIQFTFYAHAVLH-NSHDSACASA-N 2 0 238.379 1.385 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC001337852294 978526988 /nfs/dbraw/zinc/52/69/88/978526988.db2.gz ZYURWBDYYJVOST-GVXVVHGQSA-N 2 0 241.379 1.138 20 0 BDADRP COC[C@@]12CCC[C@@H]1C[N@H+](CCCC[NH3+])C2 ZINC001235570746 979095448 /nfs/dbraw/zinc/09/54/48/979095448.db2.gz RYWJASLVJWANKZ-OLZOCXBDSA-N 2 0 226.364 1.474 20 0 BDADRP CC1(C)NC[C@@H](C[N@@H+]2CCC3(CCC3)C2)O1 ZINC001235919154 979202471 /nfs/dbraw/zinc/20/24/71/979202471.db2.gz UVCRAZAFJOMMDP-NSHDSACASA-N 2 0 224.348 1.587 20 0 BDADRP C[NH+](C)Cc1ccc(C2=CC[NH2+]CC2)nc1 ZINC001240466125 981398670 /nfs/dbraw/zinc/39/86/70/981398670.db2.gz RWHDFXXHLQNWNI-UHFFFAOYSA-N 2 0 217.316 1.520 20 0 BDADRP CCC[C@@H](CCO)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000716815682 982489482 /nfs/dbraw/zinc/48/94/82/982489482.db2.gz SLTMKTUGOKWPJX-HSBZDZAISA-N 2 0 242.407 2.000 20 0 BDADRP C[NH+](C)CCCC[NH2+]C[C@@H](O)c1ccccn1 ZINC001353271483 982813292 /nfs/dbraw/zinc/81/32/92/982813292.db2.gz BEAZKWGPTSQYBD-CYBMUJFWSA-N 2 0 237.347 1.046 20 0 BDADRP CCC[C@H](C)C[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001201538339 983293099 /nfs/dbraw/zinc/29/30/99/983293099.db2.gz FMCAERHETJVCPX-AWEZNQCLSA-N 2 0 241.423 1.602 20 0 BDADRP CCCCCC[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001201743090 983445571 /nfs/dbraw/zinc/44/55/71/983445571.db2.gz JUCBFIBQLMWOLJ-UHFFFAOYSA-N 2 0 241.423 1.746 20 0 BDADRP CCCCCC[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001201753850 983454919 /nfs/dbraw/zinc/45/49/19/983454919.db2.gz CWQQPOLGCDSXRD-UHFFFAOYSA-N 2 0 241.423 1.746 20 0 BDADRP CC(C)OCC[C@H](C)[NH2+]CCC[NH+](C)C ZINC001172432526 974716066 /nfs/dbraw/zinc/71/60/66/974716066.db2.gz ZOXWEDNVYSPVRL-LBPRGKRZSA-N 2 0 216.369 1.731 20 0 BDADRP CC(C)OCC[C@H](C)[NH2+]C1(C[NH3+])CC1 ZINC001172443701 974805950 /nfs/dbraw/zinc/80/59/50/974805950.db2.gz HFUVWBFVUZDVAO-JTQLQIEISA-N 2 0 200.326 1.271 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@@H+]([C@@H]2CCC[NH2+]CC2)CC1 ZINC001246581083 972947583 /nfs/dbraw/zinc/94/75/83/972947583.db2.gz XQYLRRORUJOBMW-ZIAGYGMSSA-N 3 0 239.407 1.579 20 0 BDADRP CCCC[C@H]1C[C@H](N2CC(C[NH2+]C)C2)CC[NH2+]1 ZINC001246597581 973013235 /nfs/dbraw/zinc/01/32/35/973013235.db2.gz NOTQDKYNOPQCPJ-UONOGXRCSA-N 2 0 239.407 1.448 20 0 BDADRP CCCC[C@@H]1CN([C@@H]2CC[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC001246917909 973496238 /nfs/dbraw/zinc/49/62/38/973496238.db2.gz GLIOGILTEIVSMV-BFHYXJOUSA-N 2 0 239.407 1.591 20 0 BDADRP CC(C)(C)[NH+]1CCC(N2CCC[C@@H]([NH3+])C2)CC1 ZINC001256562196 970861586 /nfs/dbraw/zinc/86/15/86/970861586.db2.gz ZPJWFEWGLIOGPG-GFCCVEGCSA-N 2 0 239.407 1.672 20 0 BDADRP CC(C)(C)[NH+]1CCC(N2CC[C@@H]([NH3+])C2)CC1 ZINC001256558546 970862371 /nfs/dbraw/zinc/86/23/71/970862371.db2.gz OZVFKVFKCDTILH-LLVKDONJSA-N 2 0 225.380 1.282 20 0 BDADRP CN1CC(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC001256563567 970862654 /nfs/dbraw/zinc/86/26/54/970862654.db2.gz FSPPGWOYQDIMJO-UHFFFAOYSA-N 2 0 239.407 1.401 20 0 BDADRP CC(C)(C)[NH+]1CCC(N2CCC[C@H]2C[NH3+])CC1 ZINC001256561492 970863135 /nfs/dbraw/zinc/86/31/35/970863135.db2.gz IFBZOIKIICGGIN-ZDUSSCGKSA-N 2 0 239.407 1.672 20 0 BDADRP C[N@@H+]1CCC2(C1)CC[NH+](Cc1cnccn1)CC2 ZINC001276731402 970873686 /nfs/dbraw/zinc/87/36/86/970873686.db2.gz DFAAJMHKTOCVLW-UHFFFAOYSA-N 2 0 246.358 1.394 20 0 BDADRP CCCC[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256615107 970877817 /nfs/dbraw/zinc/87/78/17/970877817.db2.gz WISAZADYZWVBHD-RLAWYHOSSA-N 2 0 240.391 1.752 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1CC(N1[C@@H]3CC[C@H]1C[NH+](C)C3)C2 ZINC001256628305 970894129 /nfs/dbraw/zinc/89/41/29/970894129.db2.gz ZVYRJZMSIMIXCI-RRIFHVCJSA-N 2 0 249.402 1.390 20 0 BDADRP C[C@@H]1C[C@H]1[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256677130 970918397 /nfs/dbraw/zinc/91/83/97/970918397.db2.gz KZFOJNQJMCXAEM-BLYZHGLHSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@H](Cc1ccncc1)[NH2+]CCCC[NH+](C)C ZINC001256717100 970933397 /nfs/dbraw/zinc/93/33/97/970933397.db2.gz YZGVMBVZRMXFKE-CYBMUJFWSA-N 2 0 235.375 1.944 20 0 BDADRP C[C@@H](Cc1ccncc1)[NH2+]CCCC[NH+](C)C ZINC001256717101 970934785 /nfs/dbraw/zinc/93/47/85/970934785.db2.gz YZGVMBVZRMXFKE-ZDUSSCGKSA-N 2 0 235.375 1.944 20 0 BDADRP C[C@@H](Cc1ccncc1)[NH2+]CCCC[NH3+] ZINC001256720981 970939666 /nfs/dbraw/zinc/93/96/66/970939666.db2.gz HVSKYQXLUBNABW-NSHDSACASA-N 2 0 207.321 1.341 20 0 BDADRP C[C@H](Cc1ccncc1)[NH2+]C1CC([NH3+])C1 ZINC001256724379 970945100 /nfs/dbraw/zinc/94/51/00/970945100.db2.gz USFNQBXYTHTDMV-OIKLOGQESA-N 2 0 205.305 1.092 20 0 BDADRP C[C@H](Cc1ccncc1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC001256721956 970945445 /nfs/dbraw/zinc/94/54/45/970945445.db2.gz ZQJIXJNSUIDKGB-UKRRQHHQSA-N 2 0 247.386 1.944 20 0 BDADRP C[C@H](Cc1ccncc1)[NH2+]CC1CN(C)C1 ZINC001256727525 970948488 /nfs/dbraw/zinc/94/84/88/970948488.db2.gz YCNFEJFIXXXRAB-LLVKDONJSA-N 2 0 219.332 1.164 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)Cc1ccncc1 ZINC001256730955 970952109 /nfs/dbraw/zinc/95/21/09/970952109.db2.gz YPOVQHZYZVYUQV-MNOVXSKESA-N 2 0 207.321 1.197 20 0 BDADRP [NH3+]C1CC([NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)C1 ZINC001256792401 970987740 /nfs/dbraw/zinc/98/77/40/970987740.db2.gz JVVVHQPZGJWMQZ-HXSCFSKGSA-N 2 0 246.354 1.986 20 0 BDADRP C[C@H]([NH3+])c1ccc(NCCN(C)CC[NH3+])cc1 ZINC001170502577 971009492 /nfs/dbraw/zinc/00/94/92/971009492.db2.gz DCFXQLAWHFZBKI-NSHDSACASA-N 2 0 236.363 1.009 20 0 BDADRP C[NH2+]Cc1cc(/C=C/C2CC[NH2+]CC2)ncn1 ZINC001243895070 971017212 /nfs/dbraw/zinc/01/72/12/971017212.db2.gz RUGBXOKNYADMIU-NSCUHMNNSA-N 2 0 232.331 1.209 20 0 BDADRP Nc1[nH]c2ccc(NC[C@H]3CCCC[NH2+]3)cc2[nH+]1 ZINC001171333524 973856189 /nfs/dbraw/zinc/85/61/89/973856189.db2.gz FNYDCYNDNYAAPK-SNVBAGLBSA-N 2 0 245.330 1.699 20 0 BDADRP CNc1cc(Nc2cc[nH+]c(C)c2)cc[nH+]1 ZINC001216331110 971041931 /nfs/dbraw/zinc/04/19/31/971041931.db2.gz LCJGNDOXCHSGPN-UHFFFAOYSA-N 2 0 214.272 1.992 20 0 BDADRP CNc1cc(Nc2c(C)[nH+]cn2C)cc[nH+]1 ZINC001216334336 971047556 /nfs/dbraw/zinc/04/75/56/971047556.db2.gz UOAAQFOUKALKLG-UHFFFAOYSA-N 2 0 217.276 1.909 20 0 BDADRP C[C@H]1CC([NH2+]CCSCC[NH3+])C[C@H](C)O1 ZINC001257083336 971098700 /nfs/dbraw/zinc/09/87/00/971098700.db2.gz GYAHSTLJJIDXFZ-UWVGGRQHSA-N 2 0 232.393 1.224 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]C(C)(C)C(C)(C)O)CC1 ZINC001257211440 971127133 /nfs/dbraw/zinc/12/71/33/971127133.db2.gz FPORMZBUVVJVNL-UHFFFAOYSA-N 2 0 242.407 1.998 20 0 BDADRP CCC[C@H](CO)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC001257208281 971128115 /nfs/dbraw/zinc/12/81/15/971128115.db2.gz YMTIONQVEPEAHG-CYBMUJFWSA-N 2 0 228.380 1.610 20 0 BDADRP COC1CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC001257213134 971129135 /nfs/dbraw/zinc/12/91/35/971129135.db2.gz HFFJGVWTACQKPN-UHFFFAOYSA-N 2 0 240.391 1.970 20 0 BDADRP CC(C)[NH+]1CCC(N2CCn3cncc3C2)CC1 ZINC001257218473 971135731 /nfs/dbraw/zinc/13/57/31/971135731.db2.gz TVEDRPFWDJBVNY-UHFFFAOYSA-N 2 0 248.374 1.572 20 0 BDADRP COC(C)(C)C[N@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000404209195 971145115 /nfs/dbraw/zinc/14/51/15/971145115.db2.gz SYKDUZSCGBMYIX-MNOVXSKESA-N 2 0 214.353 1.199 20 0 BDADRP C[C@H]1CCC[N@H+](CCCCCCO)[C@H]1CC[NH3+] ZINC000404401991 971157276 /nfs/dbraw/zinc/15/72/76/971157276.db2.gz RUSFISKNBYWYQF-KBPBESRZSA-N 2 0 242.407 1.988 20 0 BDADRP Cc1ccc(C)c(N[C@H](C)[C@H]2C[NH2+]CCO2)[nH+]1 ZINC001170563099 971189935 /nfs/dbraw/zinc/18/99/35/971189935.db2.gz KMABNKGZVPKKRB-VXGBXAGGSA-N 2 0 235.331 1.487 20 0 BDADRP C[C@H](C[NH+](C)C)OC[C@@H]1CCC[N@@H+]1C ZINC001224817162 973994087 /nfs/dbraw/zinc/99/40/87/973994087.db2.gz IQAQZDCYGKRCDG-MNOVXSKESA-N 2 0 200.326 1.047 20 0 BDADRP CO[C@H](C)CC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405206940 971208554 /nfs/dbraw/zinc/20/85/54/971208554.db2.gz AUIXMMFPWVEJJQ-GMTAPVOTSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2C[C@@H]([NH3+])C23CCC3)CC[N@@H+]1C ZINC000405200764 971210205 /nfs/dbraw/zinc/21/02/05/971210205.db2.gz CPXSMZQDIUPCQD-FDYHWXHSSA-N 2 0 237.391 1.329 20 0 BDADRP CO[C@H](C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)C1CC1 ZINC000405218447 971210758 /nfs/dbraw/zinc/21/07/58/971210758.db2.gz AEUIBLAVLUQPBG-WOPDTQHZSA-N 2 0 224.348 1.271 20 0 BDADRP CC[NH+]1CCC(N[C@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000405236183 971212596 /nfs/dbraw/zinc/21/25/96/971212596.db2.gz SRQWWJCVZQWQBJ-OLZOCXBDSA-N 2 0 237.391 1.330 20 0 BDADRP COC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)C1CC1 ZINC000405223469 971215472 /nfs/dbraw/zinc/21/54/72/971215472.db2.gz NNGKFJUWCBHAAG-QJPTWQEYSA-N 2 0 224.348 1.271 20 0 BDADRP CC[C@H]([NH2+][C@H]1C[C@H]([NH3+])C12CCC2)C(C)(C)O ZINC000405226901 971216428 /nfs/dbraw/zinc/21/64/28/971216428.db2.gz DNSLWPOYUXSLCK-DCAQKATOSA-N 2 0 226.364 1.395 20 0 BDADRP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405253493 971222850 /nfs/dbraw/zinc/22/28/50/971222850.db2.gz LBTZLRHINTXJRO-NOOOWODRSA-N 2 0 208.349 1.892 20 0 BDADRP Cc1ccncc1C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405265641 971224106 /nfs/dbraw/zinc/22/41/06/971224106.db2.gz RDRRYBNNDDGENA-OLZOCXBDSA-N 2 0 231.343 1.750 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCOCC(F)F)C12CCC2 ZINC000405293393 971227690 /nfs/dbraw/zinc/22/76/90/971227690.db2.gz ZJUVNTZLMABWKM-RKDXNWHRSA-N 2 0 234.290 1.128 20 0 BDADRP CC[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)OC ZINC000405316513 971230506 /nfs/dbraw/zinc/23/05/06/971230506.db2.gz RRYGEXINEUJMOP-OUAUKWLOSA-N 2 0 212.337 1.271 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000405294280 971232283 /nfs/dbraw/zinc/23/22/83/971232283.db2.gz ZYLVHEBKLKVNJR-AVGNSLFASA-N 2 0 237.391 1.330 20 0 BDADRP CSC(C)(C)C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405312616 971233491 /nfs/dbraw/zinc/23/34/91/971233491.db2.gz PNXGGTZRSVCBND-UWVGGRQHSA-N 2 0 228.405 1.988 20 0 BDADRP C[N@@H+]1CC[C@H](OCCC[NH+]2CCCCC2)C1 ZINC001224855759 974026569 /nfs/dbraw/zinc/02/65/69/974026569.db2.gz SETLPZBUGWKTPB-ZDUSSCGKSA-N 2 0 226.364 1.583 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]C2CCSCC2)C12CCC2 ZINC000405297231 971234324 /nfs/dbraw/zinc/23/43/24/971234324.db2.gz HOJUFHXEJWNMSF-MNOVXSKESA-N 2 0 226.389 1.742 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCCCF)C12CCC2 ZINC000405330193 971235382 /nfs/dbraw/zinc/23/53/82/971235382.db2.gz WLCNXEDVDRSOEX-NXEZZACHSA-N 2 0 200.301 1.596 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCS2)C12CCC2 ZINC000405321646 971237308 /nfs/dbraw/zinc/23/73/08/971237308.db2.gz VCWVGVLSSYPKBZ-HBNTYKKESA-N 2 0 226.389 1.742 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]C2CCC([NH3+])CC2)C12CCC2 ZINC000405332830 971238161 /nfs/dbraw/zinc/23/81/61/971238161.db2.gz FAFPIMWRDKEKCN-QQFIATSDSA-N 3 0 223.364 1.116 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405361570 971240918 /nfs/dbraw/zinc/24/09/18/971240918.db2.gz ULVUEDWPZHDPRA-VWYCJHECSA-N 2 0 212.337 1.007 20 0 BDADRP CCOC[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405367898 971241924 /nfs/dbraw/zinc/24/19/24/971241924.db2.gz XKSQQNMFCBFHHL-GARJFASQSA-N 2 0 212.337 1.271 20 0 BDADRP COC[C@H](C)C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405352888 971242636 /nfs/dbraw/zinc/24/26/36/971242636.db2.gz PLCUPMUZJZACIJ-OUAUKWLOSA-N 2 0 212.337 1.128 20 0 BDADRP CC[C@H](O)CC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405362838 971242727 /nfs/dbraw/zinc/24/27/27/971242727.db2.gz VBMRQNXIBBUYNI-AXFHLTTASA-N 2 0 212.337 1.007 20 0 BDADRP CC(C)(CCCO)C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405345398 971244911 /nfs/dbraw/zinc/24/49/11/971244911.db2.gz KOKBURAXADQCJV-NWDGAFQWSA-N 2 0 240.391 1.645 20 0 BDADRP CC(C)(CCCO)C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405345400 971245016 /nfs/dbraw/zinc/24/50/16/971245016.db2.gz KOKBURAXADQCJV-RYUDHWBXSA-N 2 0 240.391 1.645 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405460555 971258494 /nfs/dbraw/zinc/25/84/94/971258494.db2.gz ZRDABPLESWMKLQ-GRYCIOLGSA-N 2 0 226.364 1.255 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2ccc(O)cc2)C12CCC2 ZINC000405536170 971263106 /nfs/dbraw/zinc/26/31/06/971263106.db2.gz ZQHPBMDKYQXZFB-ZIAGYGMSSA-N 2 0 246.354 1.794 20 0 BDADRP CC(C)(C)C[C@H](CO)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405501181 971263889 /nfs/dbraw/zinc/26/38/89/971263889.db2.gz QXPGBZKFJSJMSU-UTUOFQBUSA-N 2 0 240.391 1.643 20 0 BDADRP CCCCCC[C@H](C)[NH2+]CCN(C)CC[NH3+] ZINC001257356811 971271083 /nfs/dbraw/zinc/27/10/83/971271083.db2.gz APCDSVPEKSLBOH-ZDUSSCGKSA-N 2 0 229.412 1.825 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CO[C@@H](C)[C@@H]1C ZINC000405795345 971305519 /nfs/dbraw/zinc/30/55/19/971305519.db2.gz UDTQHXDEMKETAR-RWMBFGLXSA-N 2 0 228.380 1.730 20 0 BDADRP CCCC[C@H](CC)[NH+]1CCN(CC[NH3+])CC1 ZINC001257411170 971306395 /nfs/dbraw/zinc/30/63/95/971306395.db2.gz QRNDHZZPJOXTSS-ZDUSSCGKSA-N 2 0 227.396 1.532 20 0 BDADRP C[C@]([NH3+])(CCCC[NH3+])c1nnc(C2CC2)o1 ZINC001217756654 971387862 /nfs/dbraw/zinc/38/78/62/971387862.db2.gz YUVUGIJZKAKHIE-NSHDSACASA-N 2 0 224.308 1.250 20 0 BDADRP F[C@@H]1C[NH2+]CCC[C@@H]1OC[C@@H]1CCC[NH2+]C1 ZINC001217765950 971390481 /nfs/dbraw/zinc/39/04/81/971390481.db2.gz PNXPQONYYGLEAP-UTUOFQBUSA-N 2 0 230.327 1.093 20 0 BDADRP F[C@H]1CC[NH2+]C[C@@H]1OCCC1CC[NH2+]CC1 ZINC001217767820 971392828 /nfs/dbraw/zinc/39/28/28/971392828.db2.gz KBDOMSAHEPONAL-RYUDHWBXSA-N 2 0 230.327 1.093 20 0 BDADRP C(C[C@H]1CCC[NH2+]C1)O[C@H]1CCCC[NH2+]C1 ZINC001217774057 971395917 /nfs/dbraw/zinc/39/59/17/971395917.db2.gz SSAHWPOVHWEKIN-OLZOCXBDSA-N 2 0 226.364 1.535 20 0 BDADRP CC(C)(C[NH3+])CO[C@H]1C[NH2+]CCC[C@H]1F ZINC001217774244 971397023 /nfs/dbraw/zinc/39/70/23/971397023.db2.gz OLZYVZRJEYUKOR-ZJUUUORDSA-N 2 0 218.316 1.078 20 0 BDADRP C[C@H]1C[NH2+]CCC[C@@H]1OCCC1CC[NH2+]CC1 ZINC001217778801 971399179 /nfs/dbraw/zinc/39/91/79/971399179.db2.gz LRVATCDTRLIIQA-JSGCOSHPSA-N 2 0 240.391 1.781 20 0 BDADRP C(CCC1CC[NH2+]CC1)COC1C[NH2+]C1 ZINC001217789143 971407601 /nfs/dbraw/zinc/40/76/01/971407601.db2.gz DVXOFDFAJGHXNF-UHFFFAOYSA-N 2 0 212.337 1.145 20 0 BDADRP C[C@@H]1C[C@H](OC[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001217791407 971409675 /nfs/dbraw/zinc/40/96/75/971409675.db2.gz NYUSLTYRRVNNRE-IJLUTSLNSA-N 2 0 212.337 1.143 20 0 BDADRP C(O[C@H]1CC[C@@]12CC[NH2+]C2)[C@@H]1CCC[NH2+]C1 ZINC001217809073 971412829 /nfs/dbraw/zinc/41/28/29/971412829.db2.gz PPJXBHSWFXDICF-AGIUHOORSA-N 2 0 224.348 1.145 20 0 BDADRP CCCCC[C@@H](C)NC(=[NH2+])N1CCN(C)CC1 ZINC001257501561 971418673 /nfs/dbraw/zinc/41/86/73/971418673.db2.gz CAGVELVAZYTPDJ-GFCCVEGCSA-N 2 0 240.395 1.727 20 0 BDADRP C[NH+](C)CCC(C)(C)Nc1cc(C[NH3+])ncn1 ZINC001158757105 971432345 /nfs/dbraw/zinc/43/23/45/971432345.db2.gz JPYHYYFLWNAEAH-UHFFFAOYSA-N 2 0 237.351 1.078 20 0 BDADRP [NH3+]CCSCC[NH2+][C@@H]1CCCSC1 ZINC001257664194 971462028 /nfs/dbraw/zinc/46/20/28/971462028.db2.gz MCWDRCCWNDNYIU-SECBINFHSA-N 2 0 220.407 1.164 20 0 BDADRP C[NH+](C)[C@H]1CC[C@H](OC[C@H]2CCC[NH2+]C2)CC1 ZINC001217878709 971470803 /nfs/dbraw/zinc/47/08/03/971470803.db2.gz GNGLKRQOMBPRNG-IHRRRGAJSA-N 2 0 240.391 1.875 20 0 BDADRP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+]([C@@H]1CCCSC1)C2 ZINC001257682714 971486053 /nfs/dbraw/zinc/48/60/53/971486053.db2.gz IZCYTAOVJKPGLR-JHJVBQTASA-N 2 0 240.416 1.766 20 0 BDADRP CC(C)[N@@H+]1CCC[C@@H](OC[C@@H]2CCC[NH2+]C2)C1 ZINC001217889185 971487274 /nfs/dbraw/zinc/48/72/74/971487274.db2.gz DPMASRLIEZBEQG-ZIAGYGMSSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]1CC[C@H](OCCCCCC[NH3+])C[NH2+]1 ZINC001217909270 971508246 /nfs/dbraw/zinc/50/82/46/971508246.db2.gz FBQIFSFPBUNMBQ-RYUDHWBXSA-N 2 0 214.353 1.663 20 0 BDADRP C[C@@H]1CC[C@@H](OCc2ccccc2C[NH3+])C[NH2+]1 ZINC001217910082 971511228 /nfs/dbraw/zinc/51/12/28/971511228.db2.gz OAKGQZSXUIRCDQ-BXUZGUMPSA-N 2 0 234.343 1.802 20 0 BDADRP CC(C)[C@H]([NH3+])CO[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001217910923 971511825 /nfs/dbraw/zinc/51/18/25/971511825.db2.gz KLZMNUDNPPYRST-OUAUKWLOSA-N 2 0 200.326 1.127 20 0 BDADRP C[C@H]1CC[C@H](OCCC2CC[NH2+]CC2)C[NH2+]1 ZINC001217913103 971512678 /nfs/dbraw/zinc/51/26/78/971512678.db2.gz RGYHPLOMZNVOBT-AAEUAGOBSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1OCCC[C@@H]1CCC[NH2+]C1 ZINC001217916859 971516360 /nfs/dbraw/zinc/51/63/60/971516360.db2.gz MWRTXCWWHSPMFG-RDBSUJKOSA-N 2 0 240.391 1.781 20 0 BDADRP C[NH2+][C@H]1C[C@@H](Oc2cccc(C[NH3+])c2)C1 ZINC001217956793 971545172 /nfs/dbraw/zinc/54/51/72/971545172.db2.gz CVRNXJUDVPTEJU-KLPPZKSPSA-N 2 0 206.289 1.275 20 0 BDADRP CC(C)C[NH+]1CCC([NH2+]CC[C@@H](C)CO)CC1 ZINC001258005057 971551549 /nfs/dbraw/zinc/55/15/49/971551549.db2.gz OFIWGSVIDILJKR-CYBMUJFWSA-N 2 0 242.407 1.715 20 0 BDADRP CC(C)C[C@H](C)C[C@@H](C)[NH2+]C[C@H](O)C[NH3+] ZINC001258053524 971577381 /nfs/dbraw/zinc/57/73/81/971577381.db2.gz VJXGASVCDOXPKP-QJPTWQEYSA-N 2 0 216.369 1.356 20 0 BDADRP C[C@H]([NH3+])c1ccc(O[C@H]2C[NH2+][C@H](C)C2)cc1 ZINC001218042637 971584057 /nfs/dbraw/zinc/58/40/57/971584057.db2.gz RZIMUUUWTIZMJR-GBIKHYSHSA-N 2 0 220.316 1.836 20 0 BDADRP Cc1c(O[C@@H]2CC[NH2+]C2)ccc2c1CC[NH2+]C2 ZINC001218038708 971584880 /nfs/dbraw/zinc/58/48/80/971584880.db2.gz STWYKOMPQLLAOY-GFCCVEGCSA-N 2 0 232.327 1.381 20 0 BDADRP C[C@H]1C[C@@H](Oc2cccc3c2CC[NH2+]C3)CC[NH2+]1 ZINC001218051140 971590226 /nfs/dbraw/zinc/59/02/26/971590226.db2.gz UWQIAAMODUZKGJ-AAEUAGOBSA-N 2 0 246.354 1.852 20 0 BDADRP F[C@H]1C[NH2+]CC[C@@H]1Oc1cccc2c1C[NH2+]C2 ZINC001218069710 971594252 /nfs/dbraw/zinc/59/42/52/971594252.db2.gz JZTDENSPONGTGD-AAEUAGOBSA-N 2 0 236.290 1.369 20 0 BDADRP C[C@@H]1C[C@@H](Oc2ccc(CC[NH3+])cc2)CC[NH2+]1 ZINC001218051152 971591939 /nfs/dbraw/zinc/59/19/39/971591939.db2.gz UWXIEOBAVLAHMB-RISCZKNCSA-N 2 0 234.343 1.707 20 0 BDADRP c1cc2c(c(O[C@H]3C[C@H]4C[NH2+]C[C@H]4C3)c1)C[NH2+]C2 ZINC001218136172 971604593 /nfs/dbraw/zinc/60/45/93/971604593.db2.gz LFABPUJHUMKXPJ-CLLJXQQHSA-N 2 0 244.338 1.667 20 0 BDADRP [NH3+]Cc1cccc(O[C@H]2CCO[C@]23CC[NH2+]C3)c1 ZINC001218139495 971604781 /nfs/dbraw/zinc/60/47/81/971604781.db2.gz VYXNZQQKVZUQRT-KBPBESRZSA-N 2 0 248.326 1.045 20 0 BDADRP [NH3+]Cc1cccc(O[C@H]2CC[C@@H]3[NH2+]CCO[C@H]32)c1 ZINC001218151084 971607491 /nfs/dbraw/zinc/60/74/91/971607491.db2.gz SRIVOPOFDWADQV-MELADBBJSA-N 2 0 248.326 1.044 20 0 BDADRP c1cc2c(c(O[C@@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)c1)C[NH2+]C2 ZINC001218185404 971622208 /nfs/dbraw/zinc/62/22/08/971622208.db2.gz BGHOJMRVIZVOJI-CLLJXQQHSA-N 2 0 244.338 1.952 20 0 BDADRP CC[C@H](C)C[NH2+]CCNC(=O)[C@H](CC)[NH+](C)C ZINC001133962427 971627775 /nfs/dbraw/zinc/62/77/75/971627775.db2.gz IYEYQJWSIWRJFZ-RYUDHWBXSA-N 2 0 243.395 1.079 20 0 BDADRP [NH3+]CCc1ccc(O[C@H]2CCC23C[NH2+]C3)cc1 ZINC001218241121 971646820 /nfs/dbraw/zinc/64/68/20/971646820.db2.gz QSMUSPFNGOFQAM-ZDUSSCGKSA-N 2 0 232.327 1.319 20 0 BDADRP c1cc2c(c(O[C@@H]3CCC34C[NH2+]C4)c1)CC[NH2+]C2 ZINC001218239719 971648446 /nfs/dbraw/zinc/64/84/46/971648446.db2.gz JANKSPAHLVCNIL-CQSZACIVSA-N 2 0 244.338 1.463 20 0 BDADRP CC1(C[N@@H+]2CC[C@H](N)[C@@H](F)CC2)CCOCC1 ZINC001206155868 974331898 /nfs/dbraw/zinc/33/18/98/974331898.db2.gz MVDXMXYAKQUMOZ-RYUDHWBXSA-N 2 0 244.354 1.564 20 0 BDADRP C[NH+](C)Cc1ccccc1O[C@H]1CCC[NH2+]C1 ZINC001218283411 971675395 /nfs/dbraw/zinc/67/53/95/971675395.db2.gz IAEHUAWPXBDVTR-ZDUSSCGKSA-N 2 0 234.343 1.879 20 0 BDADRP [NH2+]=C(Cc1ccc(O[C@H]2CCC[NH2+]C2)cc1)NO ZINC001218279411 971673402 /nfs/dbraw/zinc/67/34/02/971673402.db2.gz QBYFXKCASFCZRA-LBPRGKRZSA-N 2 0 249.314 1.316 20 0 BDADRP C[C@H](CO)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172104951 974368321 /nfs/dbraw/zinc/36/83/21/974368321.db2.gz GUXOYGLZGFKDEU-ZDEQEGDKSA-N 2 0 226.364 1.220 20 0 BDADRP F[C@@H]1CC[NH2+]C[C@@H]1Oc1ccc2c(c1)C[NH2+]C2 ZINC001218320003 971705207 /nfs/dbraw/zinc/70/52/07/971705207.db2.gz ROAFIFHHTGEIGH-OLZOCXBDSA-N 2 0 236.290 1.369 20 0 BDADRP C[C@@H]1[NH2+]C[C@@H]1Oc1ccc2c(c1)CC[NH2+]C2 ZINC001218381353 971758583 /nfs/dbraw/zinc/75/85/83/971758583.db2.gz DONMTMYDGZPXQU-ZANVPECISA-N 2 0 218.300 1.071 20 0 BDADRP C[C@@H]1[NH2+]C[C@@H]1Oc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC001218388175 971766376 /nfs/dbraw/zinc/76/63/76/971766376.db2.gz SALCZKHLIHJEDT-KNDHEWATSA-N 2 0 218.300 1.240 20 0 BDADRP C[C@H]1CC[C@@H](Oc2ccc3c(c2)CC[NH2+]C3)C[NH2+]1 ZINC001218396039 971773138 /nfs/dbraw/zinc/77/31/38/971773138.db2.gz ZCBTYNCYMSNBSA-XHDPSFHLSA-N 2 0 246.354 1.852 20 0 BDADRP C[C@@H]1CC[C@@H](Oc2ccc3c(c2)CC[NH2+]C3)C[NH2+]1 ZINC001218396037 971774335 /nfs/dbraw/zinc/77/43/35/971774335.db2.gz ZCBTYNCYMSNBSA-IAQYHMDHSA-N 2 0 246.354 1.852 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+][C@@H]2CCCOCC2)C1 ZINC001170770719 971779566 /nfs/dbraw/zinc/77/95/66/971779566.db2.gz INMXTXIKBVXPLP-QJPTWQEYSA-N 2 0 212.337 1.415 20 0 BDADRP [NH3+]CCc1ccc(O[C@H]2[C@@H]3CC[C@H]2[NH2+]C3)cc1 ZINC001218442755 971818898 /nfs/dbraw/zinc/81/88/98/971818898.db2.gz SMTJJXACKBYJRC-BNOWGMLFSA-N 2 0 232.327 1.317 20 0 BDADRP [NH3+]Cc1ccccc1O[C@@H]1[C@@H]2CC[C@H]1[NH2+]C2 ZINC001218444597 971822560 /nfs/dbraw/zinc/82/25/60/971822560.db2.gz KYGAUFYWZBMNKR-NQBHXWOUSA-N 2 0 218.300 1.275 20 0 BDADRP c1cc(O[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]23)cc2c1C[NH2+]C2 ZINC001218463278 971824537 /nfs/dbraw/zinc/82/45/37/971824537.db2.gz ZUZWBTXGNAFUGO-KCPJHIHWSA-N 2 0 244.338 1.667 20 0 BDADRP [NH3+]CC1(F)CC[NH+](C[C@H]2CCC=CO2)CC1 ZINC001222526444 972539906 /nfs/dbraw/zinc/53/99/06/972539906.db2.gz ALOOUSGCXGMRIR-LLVKDONJSA-N 2 0 228.311 1.442 20 0 BDADRP CC[C@H](C)OCC[C@H](C)N1CC[C@H]([NH3+])C1 ZINC001172314801 974522324 /nfs/dbraw/zinc/52/23/24/974522324.db2.gz DUQPYLNNCMNPOA-SRVKXCTJSA-N 2 0 214.353 1.613 20 0 BDADRP c1cc(O[C@@H]2C[C@H]3C[NH2+][C@@H]2C3)cc2c1C[NH2+]C2 ZINC001218488376 971830353 /nfs/dbraw/zinc/83/03/53/971830353.db2.gz FPYSARDBRIUCIW-CUOATXAZSA-N 2 0 230.311 1.419 20 0 BDADRP c1cc2c(c(O[C@@H]3C[C@H]4C[NH2+][C@@H]3C4)c1)C[NH2+]C2 ZINC001218488369 971831242 /nfs/dbraw/zinc/83/12/42/971831242.db2.gz FKCQXZJEBNRCNA-MRCXROJRSA-N 2 0 230.311 1.419 20 0 BDADRP Cc1noc(C)c1C[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222531541 972545035 /nfs/dbraw/zinc/54/50/35/972545035.db2.gz CTCDQRJTZUUIOU-UHFFFAOYSA-N 2 0 241.310 1.554 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCC[C@H]2O)CC1 ZINC000309955254 971893281 /nfs/dbraw/zinc/89/32/81/971893281.db2.gz IBBJBSNWCWHBDB-FIYWTHMPSA-N 2 0 226.364 1.362 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001218994716 971972537 /nfs/dbraw/zinc/97/25/37/971972537.db2.gz NOVRIZCXWGKPRF-ZYHUDNBSSA-N 2 0 245.326 1.356 20 0 BDADRP C[C@]1(CC(=O)Nc2ccc(C[NH3+])cc2)CC[NH2+]C1 ZINC001219345432 972004320 /nfs/dbraw/zinc/00/43/20/972004320.db2.gz NSFDKQUWYSVOEY-CQSZACIVSA-N 2 0 247.342 1.474 20 0 BDADRP C[C@@H]([NH3+])CCNc1cccn2c[nH+]cc12 ZINC001170890999 972046578 /nfs/dbraw/zinc/04/65/78/972046578.db2.gz RYFNTGBHECRSDT-SECBINFHSA-N 2 0 204.277 1.484 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc2[nH]ccc2c1 ZINC001170899658 972057467 /nfs/dbraw/zinc/05/74/67/972057467.db2.gz KNZMXPCBNORCBD-LBPRGKRZSA-N 2 0 218.304 1.604 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1cccc2nsnc21 ZINC001170899064 972062125 /nfs/dbraw/zinc/06/21/25/972062125.db2.gz HVXNFYLVFDRMGB-VIFPVBQESA-N 2 0 237.332 1.127 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1cnc2ccccc2c1 ZINC001170900207 972066286 /nfs/dbraw/zinc/06/62/86/972066286.db2.gz QIMYWUVASSUBOE-ZDUSSCGKSA-N 2 0 230.315 1.670 20 0 BDADRP Cc1cc(Cl)nc(N[C@H]([NH3+])CCC[NH3+])c1 ZINC001170894948 972069636 /nfs/dbraw/zinc/06/96/36/972069636.db2.gz PSTHWSJRFQJUJH-VIFPVBQESA-N 2 0 228.727 1.479 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc2[nH]ccc2c1F ZINC001170902048 972076173 /nfs/dbraw/zinc/07/61/73/972076173.db2.gz AGPLGMRPJGYHBV-LLVKDONJSA-N 2 0 236.294 1.743 20 0 BDADRP CCOc1c(F)cccc1N[C@H]([NH3+])CCC[NH3+] ZINC001170905834 972079639 /nfs/dbraw/zinc/07/96/39/972079639.db2.gz WPRMAOHDOYLCPD-NSHDSACASA-N 2 0 241.310 1.660 20 0 BDADRP CC1(C)COc2ccc(N[C@@H]([NH3+])CCC[NH3+])cc21 ZINC001170903291 972075297 /nfs/dbraw/zinc/07/52/97/972075297.db2.gz IWWJXBSYQZCRMA-CYBMUJFWSA-N 2 0 249.358 1.792 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ncc(F)c2ccccc21 ZINC001159785638 972111973 /nfs/dbraw/zinc/11/19/73/972111973.db2.gz RIJVLKGMUQXDTP-LBPRGKRZSA-N 2 0 248.305 1.810 20 0 BDADRP Cc1cnc(N[C@H]([NH3+])CCC[NH3+])c(C)c1 ZINC001159785552 972113904 /nfs/dbraw/zinc/11/39/04/972113904.db2.gz QHRLXOKWLAGKAX-JTQLQIEISA-N 2 0 208.309 1.134 20 0 BDADRP C[C@H]([NH3+])c1nccn1[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246079199 972134856 /nfs/dbraw/zinc/13/48/56/972134856.db2.gz DWWCZYGKBPSNRQ-KXUCPTDWSA-N 2 0 208.309 1.216 20 0 BDADRP Cc1cnc(CC[NH2+][C@H]2CC[NH2+][C@H](C)C2)nc1 ZINC001246080756 972135539 /nfs/dbraw/zinc/13/55/39/972135539.db2.gz JSRCWWVPUWBMSZ-NEPJUHHUSA-N 2 0 234.347 1.058 20 0 BDADRP [NH3+]C1(C[NH2+]C2C[C@H]3CC(=O)C[C@@H]3C2)CCCC1 ZINC001246085972 972139239 /nfs/dbraw/zinc/13/92/39/972139239.db2.gz UTGDYTYFJKDFEK-QWRGUYRKSA-N 2 0 236.359 1.605 20 0 BDADRP C[C@H](Cc1cccnc1)[NH2+]C[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246097495 972148309 /nfs/dbraw/zinc/14/83/09/972148309.db2.gz OOAWUYQVPAVHGF-UMVBOHGHSA-N 2 0 247.386 1.990 20 0 BDADRP C[C@H](Cc1cccnc1)[NH2+]C[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246097491 972148892 /nfs/dbraw/zinc/14/88/92/972148892.db2.gz OOAWUYQVPAVHGF-NFAWXSAZSA-N 2 0 247.386 1.990 20 0 BDADRP CSCC[C@H](C)[NH2+]C[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001246097893 972151543 /nfs/dbraw/zinc/15/15/43/972151543.db2.gz INQSVYXRALCKPL-SDDRHHMPSA-N 2 0 230.421 1.963 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@@H](C)[NH2+]C2)CCO1 ZINC001246098361 972154314 /nfs/dbraw/zinc/15/43/14/972154314.db2.gz PPJDXRWSWATPMG-AAVRWANBSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+]C[C@H]2C)CC[NH2+]1 ZINC001246100638 972155019 /nfs/dbraw/zinc/15/50/19/972155019.db2.gz XIRUNHLXYPCARY-YIYPIFLZSA-N 3 0 239.407 1.352 20 0 BDADRP C[C@H](Cc1cccnc1)[NH2+]C[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001246098960 972155313 /nfs/dbraw/zinc/15/53/13/972155313.db2.gz KWWMBYHBTIQQJL-GZBFAFLISA-N 2 0 247.386 1.848 20 0 BDADRP C[C@H]1C[NH2+]C[C@H](C[NH2+]C2Cc3ccccc3C2)C1 ZINC001246098616 972155467 /nfs/dbraw/zinc/15/54/67/972155467.db2.gz KFZPSMVJMYMXMP-CHWSQXEVSA-N 2 0 244.382 1.989 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](CN[C@@H]2CC[NH2+]C(C)(C)C2)C1 ZINC001246099413 972158203 /nfs/dbraw/zinc/15/82/03/972158203.db2.gz LTOBFBVWHUMCAP-YNEHKIRRSA-N 2 0 239.407 1.352 20 0 BDADRP CC(C)[C@H]1C[C@H](N[C@@H]2CCCC[C@@H]2[NH3+])CC[NH2+]1 ZINC001246101851 972161766 /nfs/dbraw/zinc/16/17/66/972161766.db2.gz MOKKEHHXEVMFMS-XJFOESAGSA-N 2 0 239.407 1.623 20 0 BDADRP CC(C)[C@H]1C[C@@H](NC[C@@H]2C[C@@H](F)C[NH2+]2)CC[NH2+]1 ZINC001246107153 972171989 /nfs/dbraw/zinc/17/19/89/972171989.db2.gz GTMDONCRETWQIF-MROQNXINSA-N 2 0 243.370 1.053 20 0 BDADRP C[C@@H]1CC[C@H](CN[C@H]2CC[NH2+][C@@H](C)C2)[NH2+]C1 ZINC001246104428 972167244 /nfs/dbraw/zinc/16/72/44/972167244.db2.gz JQZAPIFUZRCCMN-MROQNXINSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@H]1[NH2+]CCC[C@@H]1C[NH2+]C1CCSCC1 ZINC001246114784 972177320 /nfs/dbraw/zinc/17/73/20/972177320.db2.gz XNDRIAGBFQMVTE-GHMZBOCLSA-N 2 0 228.405 1.860 20 0 BDADRP CC(C)[C@@H]1C[C@H](NC[C@@H]2C[C@@H](F)C[NH2+]2)CC[NH2+]1 ZINC001246107168 972172694 /nfs/dbraw/zinc/17/26/94/972172694.db2.gz GTMDONCRETWQIF-NDBYEHHHSA-N 2 0 243.370 1.053 20 0 BDADRP CC(C)[C@H]1C[C@H](NC[C@@H]2C[C@@H](F)C[NH2+]2)CC[NH2+]1 ZINC001246107146 972172999 /nfs/dbraw/zinc/17/29/99/972172999.db2.gz GTMDONCRETWQIF-FVCCEPFGSA-N 2 0 243.370 1.053 20 0 BDADRP C1CC2(C[C@H]1[NH2+][C@H]1CCCOC1)CC[NH2+]CC2 ZINC001246137667 972191825 /nfs/dbraw/zinc/19/18/25/972191825.db2.gz WZEVRFLUHNLVQB-STQMWFEESA-N 2 0 238.375 1.677 20 0 BDADRP C[C@@H]1CC[C@H](Nc2cccc(F)c2C[NH3+])C[NH2+]1 ZINC001246175439 972206529 /nfs/dbraw/zinc/20/65/29/972206529.db2.gz ZFWQODIUROUHGA-ZJUUUORDSA-N 2 0 237.322 1.837 20 0 BDADRP CC[C@H]1CC(N[C@H]2C[C@@H]([NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246192056 972215338 /nfs/dbraw/zinc/21/53/38/972215338.db2.gz YLAXBZSCVQTTQP-FIQHERPVSA-N 2 0 225.380 1.375 20 0 BDADRP O[C@H](CC[NH2+]C1CC[NH2+]CC1)c1ccccc1 ZINC001246213426 972218608 /nfs/dbraw/zinc/21/86/08/972218608.db2.gz UYQRXJAYOSNBTR-CQSZACIVSA-N 2 0 234.343 1.452 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])CC2)CN1 ZINC001246203149 972217320 /nfs/dbraw/zinc/21/73/20/972217320.db2.gz QKXGGVHFZVLPLI-NDBYEHHHSA-N 2 0 225.380 1.234 20 0 BDADRP CC[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CCO1 ZINC001246206673 972217471 /nfs/dbraw/zinc/21/74/71/972217471.db2.gz RBSNISWNQOXALV-LPWJVIDDSA-N 2 0 226.364 1.804 20 0 BDADRP CCC(CC)[NH2+]C1CN(C2CC[NH2+]CC2)C1 ZINC001246215444 972219637 /nfs/dbraw/zinc/21/96/37/972219637.db2.gz PIEQZNSZOKNWJP-UHFFFAOYSA-N 2 0 225.380 1.201 20 0 BDADRP Nc1cc[nH+]c(-n2ccnc2[C@H]2CCC[NH2+]C2)c1 ZINC001167055739 956974942 /nfs/dbraw/zinc/97/49/42/956974942.db2.gz LHMHFGFIYNYSJR-JTQLQIEISA-N 2 0 243.314 1.317 20 0 BDADRP C[C@@H]1C[C@@H](n2cnc3ccc(C[NH3+])cc32)CC[NH2+]1 ZINC001246231938 972238530 /nfs/dbraw/zinc/23/85/30/972238530.db2.gz VIUDJHJPVZRUFT-PWSUYJOCSA-N 2 0 244.342 1.808 20 0 BDADRP C[C@H](C[NH3+])C[N@H+](C)[C@@H]1COC(C)(C)C1 ZINC000396634021 957095537 /nfs/dbraw/zinc/09/55/37/957095537.db2.gz HCDDZNXYCUXHCB-ZJUUUORDSA-N 2 0 200.326 1.081 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH+]2CC[C@@]3(CCCO3)C2)C1 ZINC001208606131 957089942 /nfs/dbraw/zinc/08/99/42/957089942.db2.gz FHDNNRJBDIHTGE-KGLIPLIRSA-N 2 0 238.375 1.583 20 0 BDADRP CCC1(N[C@H]2CC[NH2+][C@H](C(C)C)C2)C[NH2+]C1 ZINC001246236218 972242372 /nfs/dbraw/zinc/24/23/72/972242372.db2.gz NWVQZMQXVGPAMA-RYUDHWBXSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@H]1C[C@H](O)CC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000705397378 957201458 /nfs/dbraw/zinc/20/14/58/957201458.db2.gz CHVBSTNGHBCKCU-WCQYABFASA-N 2 0 226.364 1.173 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C23CCC(O)(CC2)CC3)CC[NH2+]1 ZINC001246262181 972251224 /nfs/dbraw/zinc/25/12/24/972251224.db2.gz APUMJRQIOARDFQ-MRFVTOPCSA-N 2 0 238.375 1.554 20 0 BDADRP COCOCCC[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001209031391 957292010 /nfs/dbraw/zinc/29/20/10/957292010.db2.gz JAONAGYLWJMNNV-UHFFFAOYSA-N 2 0 242.363 1.025 20 0 BDADRP COC(=O)[C@H]1CCC[C@H]([NH2+]CC[C@H](C)[NH3+])CC1 ZINC001246301754 972265276 /nfs/dbraw/zinc/26/52/76/972265276.db2.gz VNIXTYIRXVAPSY-SRVKXCTJSA-N 2 0 242.363 1.435 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246306151 972267155 /nfs/dbraw/zinc/26/71/55/972267155.db2.gz PRWXHXSFSJUIEC-NWDGAFQWSA-N 3 0 225.380 1.236 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@H](C)Cc1cccc(OC)c1 ZINC001246313718 972275316 /nfs/dbraw/zinc/27/53/16/972275316.db2.gz KKIKGDMNJCXTIF-YPMHNXCESA-N 2 0 236.359 1.953 20 0 BDADRP C[NH2+]CC[C@H](C)[NH2+][C@H]1CNc2ccccc2C1 ZINC001246317014 972275753 /nfs/dbraw/zinc/27/57/53/972275753.db2.gz PYMDMUGMNPJLNZ-WCQYABFASA-N 2 0 233.359 1.611 20 0 BDADRP CCOC(=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H]([NH3+])CC)C1 ZINC001246320114 972277892 /nfs/dbraw/zinc/27/78/92/972277892.db2.gz XSDXGHHZRJXBNA-WOPDTQHZSA-N 2 0 242.363 1.435 20 0 BDADRP Cc1cc(N[C@H]2CC[N@@H+](C)C2)nc2c1C[NH2+]CC2 ZINC001167270440 957612272 /nfs/dbraw/zinc/61/22/72/957612272.db2.gz VOZWWQGAWNXHGU-NSHDSACASA-N 2 0 246.358 1.152 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000397747305 957800255 /nfs/dbraw/zinc/80/02/55/957800255.db2.gz JLGDKCRNJRISEQ-RVMXOQNASA-N 2 0 208.349 1.716 20 0 BDADRP C[C@@]1([NH3+])C[C@H](NC(=O)CCCCCCC[NH3+])C1 ZINC001221238671 972300071 /nfs/dbraw/zinc/30/00/71/972300071.db2.gz BXTIASVUYJDCEB-BJHJDKERSA-N 2 0 241.379 1.282 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCOC(C)(C)C2)CC[NH2+]1 ZINC001246367909 972307260 /nfs/dbraw/zinc/30/72/60/972307260.db2.gz AYWYUAIRLHHZPK-UPJWGTAASA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCOC(C)(C)C2)CC[NH2+]1 ZINC001246367885 972308517 /nfs/dbraw/zinc/30/85/17/972308517.db2.gz AYWYUAIRLHHZPK-AGIUHOORSA-N 2 0 240.391 1.922 20 0 BDADRP CC[NH+](CC)C[C@H](C)OCC[NH+](C)C ZINC000197882283 958032215 /nfs/dbraw/zinc/03/22/15/958032215.db2.gz ICZFOOXZXVXZPJ-NSHDSACASA-N 2 0 202.342 1.295 20 0 BDADRP C1[C@@H](N[C@@H]2CCC[N@@H+](C3CCCC3)C2)C12C[NH2+]C2 ZINC001246444289 972318768 /nfs/dbraw/zinc/31/87/68/972318768.db2.gz JXSWEGICYUFQMW-TZMCWYRMSA-N 2 0 249.402 1.345 20 0 BDADRP CC(C)CC[C@H](C)[NH2+]CCCNCCC[NH3+] ZINC001246453295 972324834 /nfs/dbraw/zinc/32/48/34/972324834.db2.gz NCWWCQKILHGPPC-ZDUSSCGKSA-N 2 0 229.412 1.729 20 0 BDADRP [NH3+]C1(C[NH2+]C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CCC1 ZINC000693327441 958232024 /nfs/dbraw/zinc/23/20/24/958232024.db2.gz USPRFGFIGXCQAZ-ILWJIGKKSA-N 2 0 230.302 1.749 20 0 BDADRP CCCC[C@@H]1C[C@@H](N[C@H]2C[C@H]([NH2+]C)C2)CC[NH2+]1 ZINC001246464274 972341522 /nfs/dbraw/zinc/34/15/22/972341522.db2.gz YXKLNAGWAAYGQZ-XJFOESAGSA-N 2 0 239.407 1.637 20 0 BDADRP CC[C@H](C)C[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC000403216713 958429794 /nfs/dbraw/zinc/42/97/94/958429794.db2.gz GUHCHZMXIDPGAF-UWVGGRQHSA-N 2 0 220.307 1.948 20 0 BDADRP CC1CC[NH+](CCN[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000399004416 958485935 /nfs/dbraw/zinc/48/59/35/958485935.db2.gz WCPNRRKYOVUOTC-UONOGXRCSA-N 2 0 239.407 1.448 20 0 BDADRP CC/C=C\CC[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222086101 972359603 /nfs/dbraw/zinc/35/96/03/972359603.db2.gz SDNVNYCDDPETOM-ARJAWSKDSA-N 2 0 237.391 1.370 20 0 BDADRP C1C[C@@]2(CC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)CO1 ZINC000707639466 958639485 /nfs/dbraw/zinc/63/94/85/958639485.db2.gz FBYFMMABYAXZCI-QNMSZWNNSA-N 2 0 236.359 1.382 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1nccs1 ZINC000693546436 958755542 /nfs/dbraw/zinc/75/55/42/958755542.db2.gz OSIMDJARZISEPE-IWSPIJDZSA-N 2 0 211.334 1.531 20 0 BDADRP CC(C)(C)[C@H]1C[C@@H](N2CC[NH2+]CC2)CC[NH2+]1 ZINC001246522526 972377314 /nfs/dbraw/zinc/37/73/14/972377314.db2.gz AAVFLGSRITZHPE-NWDGAFQWSA-N 2 0 225.380 1.058 20 0 BDADRP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1C[C@@H]([NH3+])C1 ZINC000693576816 958868249 /nfs/dbraw/zinc/86/82/49/958868249.db2.gz AXFIPOOSBQBEKR-RQJABVFESA-N 2 0 237.391 1.282 20 0 BDADRP C[C@H]1CSCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000693584978 958889159 /nfs/dbraw/zinc/88/91/59/958889159.db2.gz GOKOLQNKQLLINH-MXWKQRLJSA-N 2 0 214.378 1.409 20 0 BDADRP COCC[N@@H+](Cc1ccccc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693593516 958909305 /nfs/dbraw/zinc/90/93/05/958909305.db2.gz YNIWCFQPYJFGAN-GASCZTMLSA-N 2 0 248.370 1.872 20 0 BDADRP C[N@H+](CCOCc1ccccc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693595077 958915378 /nfs/dbraw/zinc/91/53/78/958915378.db2.gz FEJZGZSUPFRYTA-GASCZTMLSA-N 2 0 248.370 1.872 20 0 BDADRP CC(C)C[NH2+]CC(=O)Nc1cccc(C[NH3+])c1 ZINC001327070609 972388185 /nfs/dbraw/zinc/38/81/85/972388185.db2.gz GWPMRXKQRIRSAX-UHFFFAOYSA-N 2 0 235.331 1.329 20 0 BDADRP C(CN1CC[C@]12CCC[NH2+]C2)C1CC[NH2+]CC1 ZINC001222190488 972401653 /nfs/dbraw/zinc/40/16/53/972401653.db2.gz CHXIWPULZQXDOS-AWEZNQCLSA-N 2 0 237.391 1.204 20 0 BDADRP C(CN1CC[C@@]12CCC[NH2+]C2)[C@@H]1CCC[NH2+]C1 ZINC001222192797 972400978 /nfs/dbraw/zinc/40/09/78/972400978.db2.gz YXRKHORIAPDVSY-UONOGXRCSA-N 2 0 237.391 1.204 20 0 BDADRP CC[C@H](C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)OC ZINC000693703719 959204782 /nfs/dbraw/zinc/20/47/82/959204782.db2.gz JAPJKLGZXNKPHJ-FVCCEPFGSA-N 2 0 240.391 1.778 20 0 BDADRP CC(C)(C)[NH+]1CCC(N2CCC[NH2+]CC2)CC1 ZINC001246525535 972414418 /nfs/dbraw/zinc/41/44/18/972414418.db2.gz STZYHKAXVQMNQO-UHFFFAOYSA-N 2 0 239.407 1.545 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222232006 972410814 /nfs/dbraw/zinc/41/08/14/972410814.db2.gz SANOKWPXRGLPJY-CQSZACIVSA-N 2 0 237.391 1.204 20 0 BDADRP C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222237451 972413941 /nfs/dbraw/zinc/41/39/41/972413941.db2.gz KGUGHEALFLOMLP-FRRDWIJNSA-N 2 0 208.349 1.860 20 0 BDADRP CSCCC[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222231617 972414037 /nfs/dbraw/zinc/41/40/37/972414037.db2.gz OEUJPOPEIJSWSK-GFCCVEGCSA-N 2 0 228.405 1.958 20 0 BDADRP C[C@@H](C[NH2+][C@@H](C)C(C)(C)CO)C[NH+](C)C ZINC000926473602 959271097 /nfs/dbraw/zinc/27/10/97/959271097.db2.gz MBSNQVGTFFPSKX-QWRGUYRKSA-N 2 0 216.369 1.181 20 0 BDADRP CC1(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)COC1 ZINC001222232904 972416014 /nfs/dbraw/zinc/41/60/14/972416014.db2.gz YOWSJWILTHHUTC-CYBMUJFWSA-N 2 0 224.348 1.241 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H](C)[C@H]1C ZINC000300356328 959377572 /nfs/dbraw/zinc/37/75/72/959377572.db2.gz KDRXCKFHUDCNPO-LOWDOPEQSA-N 2 0 210.365 1.962 20 0 BDADRP Cc1cnc(C[N@@H+](C)C2CCC([NH3+])CC2)cn1 ZINC000693822655 959396505 /nfs/dbraw/zinc/39/65/05/959396505.db2.gz PXVIZUFCCAFABB-UHFFFAOYSA-N 2 0 234.347 1.487 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCCSC2)C12CCC2 ZINC000405308888 959429402 /nfs/dbraw/zinc/42/94/02/959429402.db2.gz NSIHXWDSTYCPLA-GMTAPVOTSA-N 2 0 226.389 1.742 20 0 BDADRP [NH3+]CCCCCCNC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC001327134525 972431181 /nfs/dbraw/zinc/43/11/81/972431181.db2.gz NKPGCBUKFIKJIE-RYUDHWBXSA-N 2 0 241.379 1.139 20 0 BDADRP C(CN1CC2(C1)CCC[NH2+]C2)[C@@H]1CCC[NH2+]C1 ZINC001222335640 972438973 /nfs/dbraw/zinc/43/89/73/972438973.db2.gz ZUWROEXYLVFCGG-ZDUSSCGKSA-N 2 0 237.391 1.062 20 0 BDADRP CC[C@@H]1CC(N2CC[NH2+]CC2)C[C@@H](CC)[NH2+]1 ZINC001246531539 972442361 /nfs/dbraw/zinc/44/23/61/972442361.db2.gz UYJKRORNBUACND-VXGBXAGGSA-N 2 0 225.380 1.201 20 0 BDADRP COc1ccc([C@@H]([NH3+])CCOC2C[NH2+]C2)cc1 ZINC001217790503 959602827 /nfs/dbraw/zinc/60/28/27/959602827.db2.gz NBOWUEIPIORNBB-ZDUSSCGKSA-N 2 0 236.315 1.074 20 0 BDADRP CC[C@H]([NH3+])CN1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385529 972451378 /nfs/dbraw/zinc/45/13/78/972451378.db2.gz PMJSKOLNYSRAOJ-QWHCGFSZSA-N 2 0 225.380 1.332 20 0 BDADRP C[C@H]1[NH2+]C[C@H]1OCCCCC1CC[NH2+]CC1 ZINC001217909111 959743242 /nfs/dbraw/zinc/74/32/42/959743242.db2.gz RMVXNCVWSGWCSE-DGCLKSJQSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H]1CC[C@H](OCC2(C)CC[NH2+]CC2)C[NH2+]1 ZINC001217909532 959743547 /nfs/dbraw/zinc/74/35/47/959743547.db2.gz FTHIUAQETNYBIM-RYUDHWBXSA-N 2 0 226.364 1.533 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCc3occc3C2)CC1 ZINC001207399872 959744105 /nfs/dbraw/zinc/74/41/05/959744105.db2.gz YARDNKOUESIOTN-UHFFFAOYSA-N 2 0 234.343 1.980 20 0 BDADRP C[C@H]1C[C@H](Oc2ccc3c(c2)CC[NH2+]C3)CC[NH2+]1 ZINC001218049940 959844707 /nfs/dbraw/zinc/84/47/07/959844707.db2.gz NWKPTUOHIKWLIX-XHDPSFHLSA-N 2 0 246.354 1.852 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000694888810 960023110 /nfs/dbraw/zinc/02/31/10/960023110.db2.gz ZSGSNDDLZWUNMF-NDBYEHHHSA-N 2 0 226.364 1.341 20 0 BDADRP [NH3+]Cc1ccc(O[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]23)cc1 ZINC001218469845 960118029 /nfs/dbraw/zinc/11/80/29/960118029.db2.gz YJFYWTZNHAGPGA-MRVWCRGKSA-N 2 0 232.327 1.522 20 0 BDADRP CC(C)[C@H]1C[C@@H](N2[C@@H](C)CC[C@H]2C[NH3+])CC[NH2+]1 ZINC001246537224 972482183 /nfs/dbraw/zinc/48/21/83/972482183.db2.gz GJXNUXPVOOYSSW-XDQVBPFNSA-N 2 0 239.407 1.575 20 0 BDADRP CC(C)(C)c1ccc(CNC(C[NH3+])C[NH3+])cc1 ZINC000695339182 960202732 /nfs/dbraw/zinc/20/27/32/960202732.db2.gz BYZXKBLGESUADU-UHFFFAOYSA-N 2 0 235.375 1.360 20 0 BDADRP CC[C@H](CO)[NH2+]CCC[NH+]1CCCCC1 ZINC000695483239 960264625 /nfs/dbraw/zinc/26/46/25/960264625.db2.gz PGAOGABHNQZQCY-GFCCVEGCSA-N 2 0 214.353 1.223 20 0 BDADRP COCC[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925548144 960319963 /nfs/dbraw/zinc/31/99/63/960319963.db2.gz AAIZNGWLBAPLGI-SRVKXCTJSA-N 2 0 228.380 1.907 20 0 BDADRP C[NH+]1CCC(CC[N@@H+]2CCC[C@H](O)C2)CC1 ZINC001207480126 960354997 /nfs/dbraw/zinc/35/49/97/960354997.db2.gz UOJMPUXTEJZPFL-ZDUSSCGKSA-N 2 0 226.364 1.175 20 0 BDADRP C(CN1CC[C@]2(CCC[NH2+]2)C1)[C@@H]1CCCC[NH2+]1 ZINC001222464884 972498072 /nfs/dbraw/zinc/49/80/72/972498072.db2.gz HDFWQURLGPBEMA-UONOGXRCSA-N 2 0 237.391 1.347 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC2CCOCC2)CC[NH2+]1 ZINC000709375002 960536515 /nfs/dbraw/zinc/53/65/15/960536515.db2.gz LTAMWKBWWZZCOI-DGCLKSJQSA-N 2 0 226.364 1.533 20 0 BDADRP COC(=O)CCC[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC000390524019 960543002 /nfs/dbraw/zinc/54/30/02/960543002.db2.gz ICCRMQVBOKNKDC-LLVKDONJSA-N 2 0 228.336 1.000 20 0 BDADRP [NH3+]CC1(CC[NH2+]Cc2cccc3c[nH]nc32)CC1 ZINC001327240605 972512472 /nfs/dbraw/zinc/51/24/72/972512472.db2.gz MFYBUEJOOUYYTI-UHFFFAOYSA-N 2 0 244.342 1.782 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](CO)CC2)CC[NH2+]1 ZINC000709467565 960611740 /nfs/dbraw/zinc/61/17/40/960611740.db2.gz UOZFVKAPBBTGBR-UPJWGTAASA-N 2 0 226.364 1.221 20 0 BDADRP c1ccc(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1 ZINC000709452184 960613913 /nfs/dbraw/zinc/61/39/13/960613913.db2.gz ABIXTNZQUZSDKP-YIONKMFJSA-N 2 0 245.370 1.887 20 0 BDADRP C[C@@H]1C[C@@H](O)CC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709488516 960619080 /nfs/dbraw/zinc/61/90/80/960619080.db2.gz BHCTVOQGKBFTNM-VKYHIEHISA-N 2 0 224.348 1.115 20 0 BDADRP C[C@@H]1C[C@H]([N@H+](CCO)Cc2ccccc2)CC[NH2+]1 ZINC000709478729 960619463 /nfs/dbraw/zinc/61/94/63/960619463.db2.gz ADVRMIHSSBGIKA-UKRRQHHQSA-N 2 0 248.370 1.621 20 0 BDADRP O[C@H]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000709487956 960622748 /nfs/dbraw/zinc/62/27/48/960622748.db2.gz MPMXUXQBLZAISE-UVYIHGJDSA-N 2 0 224.348 1.020 20 0 BDADRP OC[C@@H]1CCCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709474355 960623247 /nfs/dbraw/zinc/62/32/47/960623247.db2.gz HYBLMCVMBWRIBH-FXJUQPSGSA-N 2 0 224.348 1.116 20 0 BDADRP Cc1n[nH]c(C)c1C[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222533423 960683528 /nfs/dbraw/zinc/68/35/28/960683528.db2.gz YMANKMSOJLYXLM-UHFFFAOYSA-N 2 0 240.326 1.289 20 0 BDADRP FCC[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000692910228 961281172 /nfs/dbraw/zinc/28/11/72/961281172.db2.gz NFYRCMGMCAPKAT-GFCCVEGCSA-N 2 0 214.328 1.668 20 0 BDADRP FCC[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000692910230 961283584 /nfs/dbraw/zinc/28/35/84/961283584.db2.gz NFYRCMGMCAPKAT-LBPRGKRZSA-N 2 0 214.328 1.668 20 0 BDADRP [NH2+]=CNc1cccc2nc([C@@H]3C[NH2+]CCO3)cn21 ZINC001167868074 961354058 /nfs/dbraw/zinc/35/40/58/961354058.db2.gz QGFQIRYMHYQZMZ-JTQLQIEISA-N 2 0 245.286 1.014 20 0 BDADRP C[NH+](C)C1CC[NH+]([C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167923452 961983645 /nfs/dbraw/zinc/98/36/45/961983645.db2.gz DQFREBNBODJNJZ-PTEHBNRSSA-N 2 0 208.349 1.811 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCC3(C2)CCOCC3)CC[NH2+]1 ZINC000383104876 962207170 /nfs/dbraw/zinc/20/71/70/962207170.db2.gz CVNLSBBFGXEMPL-OLZOCXBDSA-N 2 0 238.375 1.629 20 0 BDADRP CO[C@H](C[NH2+]CC1CC[NH+](C)CC1)C(C)C ZINC000310374988 962337643 /nfs/dbraw/zinc/33/76/43/962337643.db2.gz ZGSQXZVVTANNDI-CYBMUJFWSA-N 2 0 228.380 1.589 20 0 BDADRP Cc1cc(N[C@@]23CCC[C@@H]2[NH2+]CC3)cc(C)[nH+]1 ZINC000711597996 962733304 /nfs/dbraw/zinc/73/33/04/962733304.db2.gz FGCPPQCTDHDORE-UONOGXRCSA-N 2 0 231.343 1.817 20 0 BDADRP C[N@H+](Cc1ccc(N2CC[C@@H]([NH3+])C2)nc1)C1CC1 ZINC001156232087 963294943 /nfs/dbraw/zinc/29/49/43/963294943.db2.gz CGMMVAUAIDGVCE-GFCCVEGCSA-N 2 0 246.358 1.213 20 0 BDADRP Cc1[nH+]c(NOCC[NH3+])cc2[nH]ccc21 ZINC001156294714 963308484 /nfs/dbraw/zinc/30/84/84/963308484.db2.gz SHXYHBABLNQUKW-UHFFFAOYSA-N 2 0 206.249 1.174 20 0 BDADRP C[NH2+]CCNc1[nH+]ccc2c1ccn2C ZINC001156892068 963476781 /nfs/dbraw/zinc/47/67/81/963476781.db2.gz KDVOWOANOFKATJ-UHFFFAOYSA-N 2 0 204.277 1.205 20 0 BDADRP [NH2+]=C(NCCCC[NH3+])Nc1cc(C2CC2)ncn1 ZINC001157098871 963532467 /nfs/dbraw/zinc/53/24/67/963532467.db2.gz DCRSQKOYPQBAGS-UHFFFAOYSA-N 2 0 248.334 1.029 20 0 BDADRP C[C@]1([NH3+])CCN(Cc2ccc(C[NH3+])cc2)C1 ZINC001204782450 963536277 /nfs/dbraw/zinc/53/62/77/963536277.db2.gz DRULRPQCYNBYLS-ZDUSSCGKSA-N 2 0 219.332 1.068 20 0 BDADRP [NH3+][C@@H]1CCC[N@@H+]([C@@H]2CCSC2)CC1 ZINC000725613764 963589702 /nfs/dbraw/zinc/58/97/02/963589702.db2.gz KCMZRXPOSZPQFR-NXEZZACHSA-N 2 0 200.351 1.305 20 0 BDADRP Cn1ccc2c1ncnc2NC1(C)CC[NH2+]CC1 ZINC001157396621 963593009 /nfs/dbraw/zinc/59/30/09/963593009.db2.gz BAQQVWKOBUSWKA-UHFFFAOYSA-N 2 0 245.330 1.522 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC23CC[NH+](CC2)CC3)CCO1 ZINC001168084237 963642574 /nfs/dbraw/zinc/64/25/74/963642574.db2.gz QNKGISPFSIAYTR-CHWSQXEVSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@]1([NH3+])CCN(Cc2cccc3c[nH+]cn32)C1 ZINC001204801411 963664952 /nfs/dbraw/zinc/66/49/52/963664952.db2.gz OKDDLSSEYOUIPI-ZDUSSCGKSA-N 2 0 230.315 1.257 20 0 BDADRP CCC[NH+]1C[C@@H]2CN(c3cc(N)cc[nH+]3)C[C@H]2C1 ZINC001157690946 963704743 /nfs/dbraw/zinc/70/47/43/963704743.db2.gz SRPAUHOPFUBIKG-VXGBXAGGSA-N 2 0 246.358 1.442 20 0 BDADRP Cc1cnc(N2CCC[C@@H]([NH3+])[C@@H]2C)c(C[NH3+])c1 ZINC001157741807 963712650 /nfs/dbraw/zinc/71/26/50/963712650.db2.gz AQEYODXQXHWZDL-CMPLNLGQSA-N 2 0 234.347 1.165 20 0 BDADRP Cc1cnc(N2CCC[C@H]([NH3+])[C@@H]2C)c(C[NH3+])c1 ZINC001157741808 963713197 /nfs/dbraw/zinc/71/31/97/963713197.db2.gz AQEYODXQXHWZDL-JQWIXIFHSA-N 2 0 234.347 1.165 20 0 BDADRP C[C@H]1[C@@H]([NH3+])CCCN1c1cc(C[NH+](C)C)ccn1 ZINC001157746810 963716854 /nfs/dbraw/zinc/71/68/54/963716854.db2.gz NWDJMIGVZOGOCS-AAEUAGOBSA-N 2 0 248.374 1.459 20 0 BDADRP Cc1c[nH+]c(N(C(C)C)[C@H]2CC[NH2+]C2)cc1N ZINC001158032642 963795075 /nfs/dbraw/zinc/79/50/75/963795075.db2.gz JUMZYAVRBBDLAW-NSHDSACASA-N 2 0 234.347 1.549 20 0 BDADRP C[C@H]1C[C@H]([N@H+](C)CC2CC[NH+](C)CC2)CCO1 ZINC001168128259 963805046 /nfs/dbraw/zinc/80/50/46/963805046.db2.gz PIKKKCQBUKWEOF-GXTWGEPZSA-N 2 0 240.391 1.828 20 0 BDADRP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H](O)C[NH3+] ZINC001168150154 963869403 /nfs/dbraw/zinc/86/94/03/963869403.db2.gz RHKHAXQRKNZWSN-JOYOIKCWSA-N 2 0 242.750 1.180 20 0 BDADRP CC(C)[N@@H+]1CCN(c2cc(N)cc[nH+]2)C[C@@H]1C ZINC001158494213 963882028 /nfs/dbraw/zinc/88/20/28/963882028.db2.gz XDOXCIZFMLLUEI-NSHDSACASA-N 2 0 234.347 1.583 20 0 BDADRP Cc1c[nH+]c(NCC[C@H]2CCC[NH2+]2)c(N)c1 ZINC001158626956 963895772 /nfs/dbraw/zinc/89/57/72/963895772.db2.gz MOWNWNUFVITPSK-SNVBAGLBSA-N 2 0 220.320 1.526 20 0 BDADRP Cc1c[nH+]c(N2CCC3(C[NH2+]C3)CC2)cc1C ZINC001159050175 963985239 /nfs/dbraw/zinc/98/52/39/963985239.db2.gz VFVUMUXOPBSRDG-UHFFFAOYSA-N 2 0 231.343 1.888 20 0 BDADRP [NH3+]Cc1cccc(N[C@H]2C[NH2+]CC[C@H]2F)c1 ZINC001168226759 964006894 /nfs/dbraw/zinc/00/68/94/964006894.db2.gz FYDQKJVSWBFZMR-NEPJUHHUSA-N 2 0 223.295 1.257 20 0 BDADRP CCc1cc(NC2=C[NH2+]CCC2)cc[nH+]1 ZINC001159296687 964057606 /nfs/dbraw/zinc/05/76/06/964057606.db2.gz PMPGLEOYZWBNAZ-UHFFFAOYSA-N 2 0 203.289 1.703 20 0 BDADRP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H](C)C[NH3+])C2 ZINC001168245444 964059789 /nfs/dbraw/zinc/05/97/89/964059789.db2.gz YXCUKFQFWTYAMT-ZWNOBZJWSA-N 2 0 234.343 1.347 20 0 BDADRP Cc1ccc2nc(N[C@H]([NH3+])CCC[NH3+])ccc2c1 ZINC001159778891 964191623 /nfs/dbraw/zinc/19/16/23/964191623.db2.gz BLAMUESEAVEIDB-ZDUSSCGKSA-N 2 0 244.342 1.979 20 0 BDADRP Cc1ccc(Cl)nc1N[C@@H]([NH3+])CCC[NH3+] ZINC001159779953 964193788 /nfs/dbraw/zinc/19/37/88/964193788.db2.gz MGQPYSUJYGYGQE-SECBINFHSA-N 2 0 228.727 1.479 20 0 BDADRP COc1cc(Cl)cnc1N[C@H]([NH3+])CCC[NH3+] ZINC001159779963 964197483 /nfs/dbraw/zinc/19/74/83/964197483.db2.gz MIHZZKQVTMTSSG-VIFPVBQESA-N 2 0 244.726 1.179 20 0 BDADRP CN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)C(C)(C)C ZINC001160420657 964297538 /nfs/dbraw/zinc/29/75/38/964297538.db2.gz HBXOCOVSVRYYRM-NSHDSACASA-N 2 0 243.395 1.303 20 0 BDADRP Cc1ncc(C[NH2+]C2CCC([NH+](C)C)CC2)cn1 ZINC001168298340 964386705 /nfs/dbraw/zinc/38/67/05/964386705.db2.gz NUXQNKBNVTVGMC-UHFFFAOYSA-N 2 0 248.374 1.747 20 0 BDADRP C[NH+](C)C1CCC(n2ccnc2C(N)=[NH2+])CC1 ZINC001168298389 964389224 /nfs/dbraw/zinc/38/92/24/964389224.db2.gz QURVLSMUBZSSPX-UHFFFAOYSA-N 2 0 235.335 1.212 20 0 BDADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cncnc1 ZINC001168298236 964390967 /nfs/dbraw/zinc/39/09/67/964390967.db2.gz GXKFBRXJHMVPNK-XGNXJENSSA-N 2 0 248.374 2.000 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCOC[C@H]2F)CC1 ZINC001168299882 964392760 /nfs/dbraw/zinc/39/27/60/964392760.db2.gz PWASNAICSZHFOG-FIYWTHMPSA-N 2 0 244.354 1.576 20 0 BDADRP C[C@H]1C[N@@H+](C2CCC([NH+](C)C)CC2)C[C@H]1O ZINC001168314469 964421512 /nfs/dbraw/zinc/42/15/12/964421512.db2.gz LZAXQEVCZIUPLV-YWPUVAFDSA-N 2 0 226.364 1.172 20 0 BDADRP CC(C)[NH+]1CC(Nc2cccc(C[NH3+])c2)C1 ZINC001168315128 964425485 /nfs/dbraw/zinc/42/54/85/964425485.db2.gz GHFIDIDKHXQWBC-UHFFFAOYSA-N 2 0 219.332 1.650 20 0 BDADRP CN(C)C1C[NH+](C2CCC([NH+](C)C)CC2)C1 ZINC001168315365 964427419 /nfs/dbraw/zinc/42/74/19/964427419.db2.gz VJMCFVHKDXIMLL-UHFFFAOYSA-N 2 0 225.380 1.105 20 0 BDADRP C[NH+](C)C1CCC([N@H+](C)Cc2cnccn2)CC1 ZINC001168324046 964450425 /nfs/dbraw/zinc/45/04/25/964450425.db2.gz HMFCNRISRLUQMW-UHFFFAOYSA-N 2 0 248.374 1.781 20 0 BDADRP CCCN(C)C(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001161038621 964495835 /nfs/dbraw/zinc/49/58/35/964495835.db2.gz KLJAANDRTGFKRV-LBPRGKRZSA-N 2 0 243.395 1.350 20 0 BDADRP CCC[NH+]1CCC(NCC[C@@H](C)[NH+](C)C)CC1 ZINC000697825779 964546731 /nfs/dbraw/zinc/54/67/31/964546731.db2.gz GRXMYAYGEZRQSP-CYBMUJFWSA-N 2 0 241.423 1.791 20 0 BDADRP [NH3+]Cc1ccn(C2CC[NH+](CC3CC3)CC2)c1 ZINC001168359873 964554300 /nfs/dbraw/zinc/55/43/00/964554300.db2.gz GCRAFACZFHYWKW-UHFFFAOYSA-N 2 0 233.359 1.994 20 0 BDADRP C[C@H](CC[NH2+][C@H]1CCO[C@H]1C)[NH+](C)C ZINC000697857874 964569348 /nfs/dbraw/zinc/56/93/48/964569348.db2.gz KWCLGVUINOGSQR-VWYCJHECSA-N 2 0 200.326 1.094 20 0 BDADRP C[NH+](C)CCNc1ccc(C2([NH3+])CC2)cc1 ZINC001161668343 964667090 /nfs/dbraw/zinc/66/70/90/964667090.db2.gz FIKOZGABLSMIMH-UHFFFAOYSA-N 2 0 219.332 1.608 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]CC[C@@H](C)[NH+](C)C)C1 ZINC000697910325 964677207 /nfs/dbraw/zinc/67/72/07/964677207.db2.gz SUQWLCYSIBQAJU-FRRDWIJNSA-N 2 0 228.380 1.874 20 0 BDADRP C[NH+](C)CCCCNc1ccc2c(n1)C[NH2+]CC2 ZINC001161728560 964716767 /nfs/dbraw/zinc/71/67/67/964716767.db2.gz OPQLMMVCPQCSHH-UHFFFAOYSA-N 2 0 248.374 1.481 20 0 BDADRP COc1cc[nH+]c(N[C@H]2C[C@@](C)([NH3+])C2)c1 ZINC001162325066 964932066 /nfs/dbraw/zinc/93/20/66/964932066.db2.gz OOMKJNPXAFLRDK-DKTWLAJQSA-N 2 0 207.277 1.382 20 0 BDADRP Cc1c(N)cc[nH+]c1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001162393016 964952015 /nfs/dbraw/zinc/95/20/15/964952015.db2.gz SMOXWKJEZHMUTP-NXEZZACHSA-N 2 0 220.320 1.654 20 0 BDADRP Cc1ccc(N[C@@H]2CCC[C@H]([NH3+])C2)[nH+]c1N ZINC001162395120 964954573 /nfs/dbraw/zinc/95/45/73/964954573.db2.gz SNCUIJFOSAEDFA-VHSXEESVSA-N 2 0 220.320 1.654 20 0 BDADRP C[C@H]([NH3+])c1ccc(N[C@@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC001162406095 964966846 /nfs/dbraw/zinc/96/68/46/964966846.db2.gz ZESFGJYETDVEPV-HBNTYKKESA-N 2 0 234.347 1.783 20 0 BDADRP CCc1cc(-n2nccc2C[NH3+])cc[nH+]1 ZINC001162596661 965067968 /nfs/dbraw/zinc/06/79/68/965067968.db2.gz BGSLXTHLJUQPLZ-UHFFFAOYSA-N 2 0 202.261 1.288 20 0 BDADRP C[C@H]1[NH2+]CC[C@H]1Nc1cccc(C[NH3+])c1 ZINC001162673711 965106937 /nfs/dbraw/zinc/10/69/37/965106937.db2.gz VNRIJVATBZIAAC-BXKDBHETSA-N 2 0 205.305 1.308 20 0 BDADRP CN(C)c1cc[nH+]c(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)c1 ZINC001162791555 965173942 /nfs/dbraw/zinc/17/39/42/965173942.db2.gz CMPIVMKRQMZPLP-KGYLQXTDSA-N 2 0 244.342 1.334 20 0 BDADRP Cc1cc(C)[nH+]c(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)c1 ZINC001162790819 965179527 /nfs/dbraw/zinc/17/95/27/965179527.db2.gz WCGXSBGBKKOSSL-YNEHKIRRSA-N 2 0 229.327 1.884 20 0 BDADRP COc1cc[nH+]c(NC[C@@H]2CC[NH2+]C[C@@H]2F)c1 ZINC001162802484 965188176 /nfs/dbraw/zinc/18/81/76/965188176.db2.gz SQOLEAXSHCSUTD-ONGXEEELSA-N 2 0 239.294 1.450 20 0 BDADRP Cn1c[nH+]cc1N1C[C@H]([NH3+])Cc2ccccc21 ZINC001162847470 965191512 /nfs/dbraw/zinc/19/15/12/965191512.db2.gz QVAAQPWWWUXQNK-LLVKDONJSA-N 2 0 228.299 1.442 20 0 BDADRP Cc1c[nH+]c(N(C(C)C)C(C)(C)C[NH3+])cc1N ZINC001163188754 965295205 /nfs/dbraw/zinc/29/52/05/965295205.db2.gz FEOHFZUTEKALNN-UHFFFAOYSA-N 2 0 236.363 1.924 20 0 BDADRP C/C=C(\NC=[NH2+])N[C@H]1C[NH2+]Cc2ccsc21 ZINC001163220103 965309324 /nfs/dbraw/zinc/30/93/24/965309324.db2.gz MBMAGMKCOWAQLS-FWKVCNQWSA-N 2 0 236.344 1.540 20 0 BDADRP OCCCCC[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC000714958996 965561126 /nfs/dbraw/zinc/56/11/26/965561126.db2.gz CMEQAAFYNSBWRV-OLZOCXBDSA-N 2 0 226.364 1.223 20 0 BDADRP Cc1cc(C[NH3+])nn1-c1cccc2c1CC[C@@H]2[NH3+] ZINC001163986068 965676918 /nfs/dbraw/zinc/67/69/18/965676918.db2.gz QQNIRZBLMDYEOS-ZDUSSCGKSA-N 2 0 242.326 1.585 20 0 BDADRP Cc1cc(C[NH3+])nn1-c1cc(C)[nH+]c(C)c1 ZINC001163985313 965680461 /nfs/dbraw/zinc/68/04/61/965680461.db2.gz MJWDHHAWSCMXGW-UHFFFAOYSA-N 2 0 216.288 1.651 20 0 BDADRP COc1cc[nH+]c(N2C[C@H](C[NH3+])CC[C@H]2C)c1 ZINC001164455172 965887696 /nfs/dbraw/zinc/88/76/96/965887696.db2.gz BPCQRMQUWFWRGH-MNOVXSKESA-N 2 0 235.331 1.654 20 0 BDADRP [NH3+][C@@H]1CCC[N@H+](Cc2ccc3n2CCC3)CC1 ZINC001205124524 965899184 /nfs/dbraw/zinc/89/91/84/965899184.db2.gz UDVNCKZZQRFKLC-GFCCVEGCSA-N 2 0 233.359 1.748 20 0 BDADRP CC[C@@H]1COC[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000699538890 965956416 /nfs/dbraw/zinc/95/64/16/965956416.db2.gz DLMLZICSDNKKMO-ZIAGYGMSSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)CC[C@H]1C[NH3+] ZINC000699568116 965996130 /nfs/dbraw/zinc/99/61/30/965996130.db2.gz GVFRAKDBVJCVSD-RDBSUJKOSA-N 2 0 240.391 1.862 20 0 BDADRP C(CN1CCC[C@@]12CC[NH2+]C2)[C@H]1CCCC[NH2+]1 ZINC001235112253 966007689 /nfs/dbraw/zinc/00/76/89/966007689.db2.gz ZHDDMBSLNOAJCL-KGLIPLIRSA-N 2 0 237.391 1.347 20 0 BDADRP C[C@H]1C[N@H+](Cc2cc3cccnc3[nH]2)C[C@H]1C[NH3+] ZINC001205140891 966024560 /nfs/dbraw/zinc/02/45/60/966024560.db2.gz QJMCKGYWVBOIES-CMPLNLGQSA-N 2 0 244.342 1.590 20 0 BDADRP Cn1c(=O)cccc1[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC001165291214 966036506 /nfs/dbraw/zinc/03/65/06/966036506.db2.gz ZACLUPUEWYALPF-GFCCVEGCSA-N 2 0 249.358 1.529 20 0 BDADRP C[C@H]1C[N@H+](Cc2cccc3c[nH]nc32)C[C@H]1C[NH3+] ZINC001205146121 966042282 /nfs/dbraw/zinc/04/22/82/966042282.db2.gz PNVWLUGGPYCFPV-GXFFZTMASA-N 2 0 244.342 1.590 20 0 BDADRP CC(C)C[NH+]1CCC([NH2+][C@H]2COC[C@@H]2C)CC1 ZINC000699804784 966093285 /nfs/dbraw/zinc/09/32/85/966093285.db2.gz IIMCICXDNASSMV-JSGCOSHPSA-N 2 0 240.391 1.731 20 0 BDADRP Cc1cc(CN(CC[NH3+])CC[NH3+])sc1C ZINC001235881216 966125095 /nfs/dbraw/zinc/12/50/95/966125095.db2.gz VIUOFFJKZFUTDA-UHFFFAOYSA-N 2 0 227.377 1.084 20 0 BDADRP C[C@H]1CC[C@H]([NH3+])CN1Cc1cccc(C[NH3+])c1 ZINC001235902411 966147653 /nfs/dbraw/zinc/14/76/53/966147653.db2.gz FRMAYKHHBGPSBW-FZMZJTMJSA-N 2 0 233.359 1.457 20 0 BDADRP COC1CCC(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)CC1 ZINC001235976831 966191635 /nfs/dbraw/zinc/19/16/35/966191635.db2.gz CCNWZIROQHIWGS-HHTDUIENSA-N 2 0 238.375 1.615 20 0 BDADRP CS[C@H](C)CC[N@@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235977341 966191944 /nfs/dbraw/zinc/19/19/44/966191944.db2.gz GNKBZPKWERSWEM-MXWKQRLJSA-N 2 0 214.378 1.551 20 0 BDADRP C([C@@H]1CC2CCC1CC2)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000691658335 966293285 /nfs/dbraw/zinc/29/32/85/966293285.db2.gz WEVHNQCTLBRKID-QXRZNBQRSA-N 2 0 234.387 1.964 20 0 BDADRP CCC1([NH3+])CN(C[C@@H]([NH3+])c2ccccc2)C1 ZINC001236185820 966305259 /nfs/dbraw/zinc/30/52/59/966305259.db2.gz WXJMPIQQLLNOOV-GFCCVEGCSA-N 2 0 219.332 1.110 20 0 BDADRP CN(Cc1ccc(C[NH3+])cc1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236216649 966314158 /nfs/dbraw/zinc/31/41/58/966314158.db2.gz LEEMBQQYGJUQEM-HUUCEWRRSA-N 2 0 247.386 1.847 20 0 BDADRP [NH3+]C[C@H]1CCCN1C[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001236243186 966316952 /nfs/dbraw/zinc/31/69/52/966316952.db2.gz XLYAKQONUMNNLM-LSDHHAIUSA-N 2 0 245.370 1.124 20 0 BDADRP C[NH+](C)Cc1cc(F)cc(C[N@H+](C)CCO)c1 ZINC001236255816 966322447 /nfs/dbraw/zinc/32/24/47/966322447.db2.gz IAPYMBPLURXNPS-UHFFFAOYSA-N 2 0 240.322 1.311 20 0 BDADRP CC[C@H]([NH3+])CN(C)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001236866138 966599645 /nfs/dbraw/zinc/59/96/45/966599645.db2.gz UIYXPCLEKWNKLS-HNNXBMFYSA-N 2 0 247.386 1.501 20 0 BDADRP C[C@H]([NH3+])CN(C)Cc1cccc2nonc21 ZINC001236885959 966614390 /nfs/dbraw/zinc/61/43/90/966614390.db2.gz YCLXNFRTJIRVQV-QMMMGPOBSA-N 2 0 220.276 1.002 20 0 BDADRP CC[C@@H](C)C[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC000403216715 966836870 /nfs/dbraw/zinc/83/68/70/966836870.db2.gz GUHCHZMXIDPGAF-ZJUUUORDSA-N 2 0 220.307 1.948 20 0 BDADRP Cn1c[nH+]cc1N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001168601989 966969016 /nfs/dbraw/zinc/96/90/16/966969016.db2.gz ZRZUHVOBTHWNFM-QWRGUYRKSA-N 2 0 222.336 1.705 20 0 BDADRP C[n+]1cccc(N[C@H]2CCCC[C@@H]2[NH+](C)C)c1 ZINC001168602177 966969365 /nfs/dbraw/zinc/96/93/65/966969365.db2.gz GBPCKTLSRVKVLF-KBPBESRZSA-N 2 0 234.367 1.796 20 0 BDADRP C[NH+](C)CCN1CCC2(CCC[N@H+](C)C2)CC1 ZINC001276463482 966995542 /nfs/dbraw/zinc/99/55/42/966995542.db2.gz QDXCJQPWSOUZEH-UHFFFAOYSA-N 2 0 239.407 1.356 20 0 BDADRP COCC(COC)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715572648 967187680 /nfs/dbraw/zinc/18/76/80/967187680.db2.gz LQQCAENUAFJHCB-UHFFFAOYSA-N 2 0 244.379 1.110 20 0 BDADRP [NH3+]CCCC[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001204848713 967199326 /nfs/dbraw/zinc/19/93/26/967199326.db2.gz RHTSCUBFZSWSIG-RYUDHWBXSA-N 2 0 212.337 1.226 20 0 BDADRP CC1(C)C[C@H](C[NH+]2CCC(C[NH3+])CC2)CCO1 ZINC001205026198 967290880 /nfs/dbraw/zinc/29/08/80/967290880.db2.gz NLNXCMYWKSAAHT-CYBMUJFWSA-N 2 0 240.391 1.862 20 0 BDADRP CC[NH+]1CCC(C[NH+]2CCC(C[NH3+])CC2)CC1 ZINC001205026624 967295295 /nfs/dbraw/zinc/29/52/95/967295295.db2.gz UQOWSZSJLUJNIF-UHFFFAOYSA-N 3 0 239.407 1.389 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2ncn3ccccc23)CC1 ZINC001205046280 967301718 /nfs/dbraw/zinc/30/17/18/967301718.db2.gz BBOPNNVIPFFWSV-UHFFFAOYSA-N 2 0 244.342 1.505 20 0 BDADRP Cc1nc(N)ccc1C[NH+]1CCC(C[NH3+])CC1 ZINC001205047460 967306160 /nfs/dbraw/zinc/30/61/60/967306160.db2.gz UTLPXTDNAXTHPW-UHFFFAOYSA-N 2 0 234.347 1.143 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2cccc3nccn32)CC1 ZINC001205053510 967306707 /nfs/dbraw/zinc/30/67/07/967306707.db2.gz ODILLCUAGOMYKP-UHFFFAOYSA-N 2 0 244.342 1.505 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2ccc(F)c(O)c2)CC1 ZINC001205053107 967308664 /nfs/dbraw/zinc/30/86/64/967308664.db2.gz LFASKCHFOTVDAG-UHFFFAOYSA-N 2 0 238.306 1.702 20 0 BDADRP COc1ccoc1C[NH+]1CCC(C[NH3+])CC1 ZINC001205053922 967308814 /nfs/dbraw/zinc/30/88/14/967308814.db2.gz VFUFHVRLIWUSQJ-UHFFFAOYSA-N 2 0 224.304 1.459 20 0 BDADRP Cc1c[nH]c(CN2[C@@H](C)CC[C@H]2C[NH3+])c1C ZINC001205076713 967328665 /nfs/dbraw/zinc/32/86/65/967328665.db2.gz VFXWQAVINZXDAY-JQWIXIFHSA-N 2 0 221.348 1.943 20 0 BDADRP C[C@H]1C[N@H+](Cc2cnc3[nH]ccc3c2)C[C@H]1C[NH3+] ZINC001205136131 967381183 /nfs/dbraw/zinc/38/11/83/967381183.db2.gz QCZNXQAGEOVABT-GXFFZTMASA-N 2 0 244.342 1.590 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCN1Cc1ncn2ccccc12 ZINC001205189964 967416344 /nfs/dbraw/zinc/41/63/44/967416344.db2.gz IUZXAVKGTOSCKQ-GHMZBOCLSA-N 2 0 230.315 1.256 20 0 BDADRP Cc1ccc(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)cc1 ZINC001205210124 967428411 /nfs/dbraw/zinc/42/84/11/967428411.db2.gz NBMRIMQJINFWID-HNNXBMFYSA-N 2 0 248.370 1.671 20 0 BDADRP C[C@@]1([NH3+])CCC[N@H+](CCC2CC[NH2+]CC2)CC1 ZINC001205257250 967447499 /nfs/dbraw/zinc/44/74/99/967447499.db2.gz UWAJDWPLMKMIAX-CQSZACIVSA-N 3 0 239.407 1.579 20 0 BDADRP C[C@]1([NH3+])CCCN(CC[C@@H]2CCCC[NH2+]2)CC1 ZINC001205255849 967448613 /nfs/dbraw/zinc/44/86/13/967448613.db2.gz LYMTXHNSWFFUCW-KBPBESRZSA-N 2 0 239.407 1.722 20 0 BDADRP C[C@]1([NH3+])CCC[N@H+](C[C@@H]2CCCOC2)CC1 ZINC001205258006 967453608 /nfs/dbraw/zinc/45/36/08/967453608.db2.gz ZUPDHHQHXZKZEJ-STQMWFEESA-N 2 0 226.364 1.616 20 0 BDADRP Cc1c[nH]c(=O)c(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c1 ZINC001205287704 967482547 /nfs/dbraw/zinc/48/25/47/967482547.db2.gz AZDRTHBETMKPDG-AWEZNQCLSA-N 2 0 249.358 1.799 20 0 BDADRP CN1CC[NH+](CCCC2=CC[N@H+](C)CC2)CC1 ZINC001250228580 967541655 /nfs/dbraw/zinc/54/16/55/967541655.db2.gz FESIRYDVSRTGAC-UHFFFAOYSA-N 2 0 237.391 1.276 20 0 BDADRP CCCC[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205537206 967672422 /nfs/dbraw/zinc/67/24/22/967672422.db2.gz FZTWOBDGMWBVSR-NSHDSACASA-N 2 0 202.317 1.939 20 0 BDADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2ccco2)CC1 ZINC001205546031 967688538 /nfs/dbraw/zinc/68/85/38/967688538.db2.gz PFDCQZHWYPVCKP-GFCCVEGCSA-N 2 0 226.295 1.933 20 0 BDADRP Cc1nc[nH]c1C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205546607 967691340 /nfs/dbraw/zinc/69/13/40/967691340.db2.gz XBMVOWGLVMRCLA-GFCCVEGCSA-N 2 0 240.326 1.371 20 0 BDADRP Cn1cc[nH+]c1Nc1ccc2c[nH+]cn2c1 ZINC001250322682 967701895 /nfs/dbraw/zinc/70/18/95/967701895.db2.gz GWTCASUPFAQWQJ-UHFFFAOYSA-N 2 0 213.244 1.811 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@H]2CCC=CO2)CC[C@@H]1C[NH3+] ZINC001205602267 967719034 /nfs/dbraw/zinc/71/90/34/967719034.db2.gz IDXOLPBOHGMGAV-MGPQQGTHSA-N 2 0 238.375 1.986 20 0 BDADRP C[C@H]1CC[N@H+](CCCCO)CC[C@@H]1C[NH3+] ZINC001205601965 967719412 /nfs/dbraw/zinc/71/94/12/967719412.db2.gz HGOQDRSBZZEYRX-NWDGAFQWSA-N 2 0 214.353 1.066 20 0 BDADRP COCOCCC[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205603667 967719727 /nfs/dbraw/zinc/71/97/27/967719727.db2.gz RWKHIYNGXMHOPD-CHWSQXEVSA-N 2 0 244.379 1.304 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2cnccn2)CC[C@H]1C[NH3+] ZINC001205617886 967726712 /nfs/dbraw/zinc/72/67/12/967726712.db2.gz OUAYIWULYZEWBR-NEPJUHHUSA-N 2 0 234.347 1.283 20 0 BDADRP Cc1cnc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cn1 ZINC001205617762 967729452 /nfs/dbraw/zinc/72/94/52/967729452.db2.gz NHJNAIQCYOVYRD-AAEUAGOBSA-N 2 0 248.374 1.592 20 0 BDADRP CS[C@H](C)CC[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205662427 967749197 /nfs/dbraw/zinc/74/91/97/967749197.db2.gz ASRIULAEYMWDTO-NEPJUHHUSA-N 2 0 246.420 1.304 20 0 BDADRP c1nocc1CN1CCN(c2cc[nH+]cc2)CC1 ZINC001205670201 967757526 /nfs/dbraw/zinc/75/75/26/967757526.db2.gz LIMVLKPEICDZMT-UHFFFAOYSA-N 2 0 244.298 1.392 20 0 BDADRP COC(=O)C1(C)CCC([NH2+]CCCC[NH3+])CC1 ZINC001168755518 967850683 /nfs/dbraw/zinc/85/06/83/967850683.db2.gz UKCZPWLXPGZXRY-UHFFFAOYSA-N 2 0 242.363 1.437 20 0 BDADRP C[C@@]1(F)CCC[N@H+](CCCC[NH3+])CC1 ZINC001205851856 967855225 /nfs/dbraw/zinc/85/52/25/967855225.db2.gz CKXUHSGJIUXDNL-LLVKDONJSA-N 2 0 202.317 1.939 20 0 BDADRP CC[NH+]1CCC(CN2CC[C@@H](C)[C@@H]([NH3+])C2)CC1 ZINC001205862968 967862572 /nfs/dbraw/zinc/86/25/72/967862572.db2.gz GLWZHVSXYWVNIQ-OCCSQVGLSA-N 2 0 239.407 1.387 20 0 BDADRP C/C=C(\NC=[NH2+])c1cccc(N2CC[NH2+]CC2)c1 ZINC001205887359 967873971 /nfs/dbraw/zinc/87/39/71/967873971.db2.gz JUXJULVTBURGOG-VVHNFQOZSA-N 2 0 244.342 1.654 20 0 BDADRP CCCC[C@H](CC)C[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205939011 967890754 /nfs/dbraw/zinc/89/07/54/967890754.db2.gz MVWNVWSJOJVTLO-YNEHKIRRSA-N 2 0 228.380 1.597 20 0 BDADRP Cc1nc[nH]c1C[N@@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205993431 967945853 /nfs/dbraw/zinc/94/58/53/967945853.db2.gz HPSJVKNTHLUXTL-ZYHUDNBSSA-N 2 0 236.363 1.525 20 0 BDADRP Cc1c[nH]c(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC001206004184 967956302 /nfs/dbraw/zinc/95/63/02/967956302.db2.gz RALPPUSIXISPAO-PWSUYJOCSA-N 2 0 236.363 1.525 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccncc2[O-])CCC[C@H]1C[NH3+] ZINC001206003910 967956372 /nfs/dbraw/zinc/95/63/72/967956372.db2.gz NNPIFLZQVSAZDB-NEPJUHHUSA-N 2 0 249.358 1.594 20 0 BDADRP Cc1c[nH]c(C[N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)n1 ZINC001206004185 967958976 /nfs/dbraw/zinc/95/89/76/967958976.db2.gz RALPPUSIXISPAO-ZYHUDNBSSA-N 2 0 236.363 1.525 20 0 BDADRP C[C@@H]1C[N@H+](Cc2c[nH]ccc2=O)CCC[C@H]1C[NH3+] ZINC001206026256 967981226 /nfs/dbraw/zinc/98/12/26/967981226.db2.gz RDNGAVFNEYZMEQ-NEPJUHHUSA-N 2 0 249.358 1.182 20 0 BDADRP Cc1cnc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)nc1 ZINC001206022749 967982366 /nfs/dbraw/zinc/98/23/66/967982366.db2.gz CQDDKIQJBIVOAW-OLZOCXBDSA-N 2 0 248.374 1.592 20 0 BDADRP C[C@@H]1CCN(CC[C@H]2CCCC[NH2+]2)C[C@H]1[NH3+] ZINC001206036811 967994001 /nfs/dbraw/zinc/99/40/01/967994001.db2.gz QONLOBRTWLTEQW-JHJVBQTASA-N 2 0 225.380 1.188 20 0 BDADRP CCCCN(C)C[C@H](C)[NH2+][C@H]1C[C@@H]2COC[C@@H]21 ZINC001206084912 968052544 /nfs/dbraw/zinc/05/25/44/968052544.db2.gz QPRRFXNCQDGQNO-CRWXNKLISA-N 2 0 240.391 1.731 20 0 BDADRP Cc1c(N)cc[nH+]c1NCC(C)(C)C[NH+](C)C ZINC001168763455 968073294 /nfs/dbraw/zinc/07/32/94/968073294.db2.gz JIQBUKLKEXUEKI-UHFFFAOYSA-N 2 0 236.363 1.972 20 0 BDADRP CN(CC[NH3+])c1ccc(C[NH+]2CCCC2)cn1 ZINC001163688171 968095611 /nfs/dbraw/zinc/09/56/11/968095611.db2.gz RDEIMMLLWDBFOE-UHFFFAOYSA-N 2 0 234.347 1.072 20 0 BDADRP Cc1cnccc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206165780 968100961 /nfs/dbraw/zinc/10/09/61/968100961.db2.gz OTWFLEBDWBFWTE-QWHCGFSZSA-N 2 0 237.322 1.651 20 0 BDADRP COCCC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693661543 968153105 /nfs/dbraw/zinc/15/31/05/968153105.db2.gz CUBJQVKHIBAUDJ-GRYCIOLGSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@H+](CCCCCO)CC1 ZINC001206294071 968193190 /nfs/dbraw/zinc/19/31/90/968193190.db2.gz JGGRQFBSGINAOW-CYBMUJFWSA-N 2 0 228.380 1.600 20 0 BDADRP CCOC(=O)CC[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206295789 968201513 /nfs/dbraw/zinc/20/15/13/968201513.db2.gz NTNYFGZRHKXYTD-CYBMUJFWSA-N 2 0 242.363 1.391 20 0 BDADRP CC[C@@H](N)C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206292475 968203511 /nfs/dbraw/zinc/20/35/11/968203511.db2.gz BNOCSKNLORPQQW-VXGBXAGGSA-N 2 0 213.369 1.175 20 0 BDADRP C[NH+](C)CCCO[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001206295938 968203556 /nfs/dbraw/zinc/20/35/56/968203556.db2.gz IAJMBWXAGJNLBQ-JOCQHMNTSA-N 2 0 228.380 1.828 20 0 BDADRP COC(=O)CCC[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206296999 968207990 /nfs/dbraw/zinc/20/79/90/968207990.db2.gz WBTDSQNSUUYTML-ZDUSSCGKSA-N 2 0 242.363 1.391 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2ccc(=O)[nH]c2)CC1 ZINC001206304933 968213233 /nfs/dbraw/zinc/21/32/33/968213233.db2.gz RUCMOADYNWBMAW-CQSZACIVSA-N 2 0 249.358 1.738 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2ncccc2N)CC1 ZINC001206305462 968215221 /nfs/dbraw/zinc/21/52/21/968215221.db2.gz ZUNZZIORBJQIIE-CQSZACIVSA-N 2 0 248.374 1.615 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2cnc(N)cn2)CC1 ZINC001206326814 968234633 /nfs/dbraw/zinc/23/46/33/968234633.db2.gz PGYLNFXLKVTQRP-ZDUSSCGKSA-N 2 0 249.362 1.010 20 0 BDADRP NC[C@]1(F)CCCC[N@H+](CCCCCC[NH3+])C1 ZINC001206334925 968238593 /nfs/dbraw/zinc/23/85/93/968238593.db2.gz AVGSZKDGEJCKCB-CYBMUJFWSA-N 3 0 245.386 1.658 20 0 BDADRP CC(C)([NH3+])c1ccccc1-n1ccnc1CC[NH3+] ZINC001166382312 968319069 /nfs/dbraw/zinc/31/90/69/968319069.db2.gz FERVRGBIFQLSSP-UHFFFAOYSA-N 2 0 244.342 1.567 20 0 BDADRP Cc1cc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(C)s1 ZINC001206468945 968326252 /nfs/dbraw/zinc/32/62/52/968326252.db2.gz MLEZFMUUISWGHU-NWDGAFQWSA-N 2 0 240.372 1.116 20 0 BDADRP CN(C)c1cc[nH+]cc1Nc1cc[nH+]c(N)c1 ZINC001206528994 968360887 /nfs/dbraw/zinc/36/08/87/968360887.db2.gz PYXOYVXMQQURKC-UHFFFAOYSA-N 2 0 229.287 1.868 20 0 BDADRP C[C@]1(C[NH3+])CCCC[N@H+](Cc2cn[nH]c2)C1 ZINC001206542016 968366381 /nfs/dbraw/zinc/36/63/81/968366381.db2.gz PEZKBLIAMZVXAN-GFCCVEGCSA-N 2 0 222.336 1.361 20 0 BDADRP C[C@]1(C[NH3+])CCCC[N@H+](Cc2ccc[nH]2)C1 ZINC001206542113 968369053 /nfs/dbraw/zinc/36/90/53/968369053.db2.gz RQTMTRSCWMSBHR-CYBMUJFWSA-N 2 0 221.348 1.966 20 0 BDADRP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ccc(N)nc2)C1 ZINC001206563300 968387593 /nfs/dbraw/zinc/38/75/93/968387593.db2.gz BPKSRVUAQWXXFC-AWEZNQCLSA-N 2 0 248.374 1.615 20 0 BDADRP [NH3+]C[C@H]1CCCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC001206606541 968416589 /nfs/dbraw/zinc/41/65/89/968416589.db2.gz ONAQIGIQEVXAOC-UONOGXRCSA-N 2 0 239.407 1.437 20 0 BDADRP Cc1c[nH]c(CN2CCCC[C@@H](C[NH3+])C2)n1 ZINC001206615080 968418271 /nfs/dbraw/zinc/41/82/71/968418271.db2.gz BLBIQMUBDZYVGK-NSHDSACASA-N 2 0 222.336 1.279 20 0 BDADRP Nc1cccnc1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206615146 968419221 /nfs/dbraw/zinc/41/92/21/968419221.db2.gz DBUSSJSSKYPFLO-LLVKDONJSA-N 2 0 234.347 1.225 20 0 BDADRP C(C[NH+]1CCCCC1)O[C@H]1C[NH+]2CCC1CC2 ZINC001206709092 968435532 /nfs/dbraw/zinc/43/55/32/968435532.db2.gz CAFVEUFWDMBOAU-AWEZNQCLSA-N 2 0 238.375 1.583 20 0 BDADRP C[C@@H]1CC[C@H](C[NH3+])CN1CC[C@H]1CCCC[NH2+]1 ZINC001206760341 968459343 /nfs/dbraw/zinc/45/93/43/968459343.db2.gz DSGYBSHFFGWNPW-MGPQQGTHSA-N 3 0 239.407 1.578 20 0 BDADRP CCCC[C@@H](O)C[NH2+]CCC1CC[NH+](C)CC1 ZINC001252077727 968494804 /nfs/dbraw/zinc/49/48/04/968494804.db2.gz UXKIEZVFEWEFEM-CQSZACIVSA-N 2 0 242.407 1.859 20 0 BDADRP CCCC[C@H](O)C[NH2+]CC1CC[NH+](CC)CC1 ZINC001252109664 968591829 /nfs/dbraw/zinc/59/18/29/968591829.db2.gz AXJULVGAWPZJSA-AWEZNQCLSA-N 2 0 242.407 1.859 20 0 BDADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]CC(C)(C)O)C1 ZINC001252365500 968644910 /nfs/dbraw/zinc/64/49/10/968644910.db2.gz WNTUVAOKEIFNMH-CHWSQXEVSA-N 2 0 242.407 1.715 20 0 BDADRP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2CCC1CC1 ZINC001276514016 968687519 /nfs/dbraw/zinc/68/75/19/968687519.db2.gz UOERUWFSFWTPPY-OKILXGFUSA-N 2 0 237.391 1.107 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCc3ncccc3C2)CC1 ZINC001207398332 968744630 /nfs/dbraw/zinc/74/46/30/968744630.db2.gz IJIJVTJUHXTDRW-UHFFFAOYSA-N 2 0 245.370 1.782 20 0 BDADRP C[N@H+](CC1CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC001207402305 968750776 /nfs/dbraw/zinc/75/07/76/968750776.db2.gz YCLGOWSQVDEAJT-CYBMUJFWSA-N 2 0 226.364 1.439 20 0 BDADRP C[N@H+](CCc1cccnc1)CC1CC[NH+](C)CC1 ZINC001207398864 968752764 /nfs/dbraw/zinc/75/27/64/968752764.db2.gz RRAIQXQNPOCHLS-UHFFFAOYSA-N 2 0 247.386 1.898 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@]2(CCCO2)C1 ZINC001207435426 968767862 /nfs/dbraw/zinc/76/78/62/968767862.db2.gz DYAILHNIKXSUGA-CYBMUJFWSA-N 2 0 224.348 1.241 20 0 BDADRP COC(C)(C)[C@@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC001207438226 968767888 /nfs/dbraw/zinc/76/78/88/968767888.db2.gz ZGAOFXGBFPCFLB-ZDUSSCGKSA-N 2 0 240.391 1.875 20 0 BDADRP COC(C)(C)[C@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC001207438225 968769024 /nfs/dbraw/zinc/76/90/24/968769024.db2.gz ZGAOFXGBFPCFLB-CYBMUJFWSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@]1(O)CCCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC001207436531 968769285 /nfs/dbraw/zinc/76/92/85/968769285.db2.gz MWNWSNZZOZSXDX-CYBMUJFWSA-N 2 0 226.364 1.223 20 0 BDADRP CC[NH+]1C[C@@H]2C[NH+](C[C@@H]3CCCOC3)C[C@H]2C1 ZINC001207468862 968789810 /nfs/dbraw/zinc/78/98/10/968789810.db2.gz JFWCIYGSHXDJPT-BFHYXJOUSA-N 2 0 238.375 1.297 20 0 BDADRP CCO[C@@H]1CC[N@H+](CCC2CC[NH+](C)CC2)C1 ZINC001207487182 968797941 /nfs/dbraw/zinc/79/79/41/968797941.db2.gz IPKHOCPBPYAKDI-CQSZACIVSA-N 2 0 240.391 1.829 20 0 BDADRP CN(C)[C@H]1CC[N@H+](CCC2CC[NH+](C)CC2)C1 ZINC001207479972 968799629 /nfs/dbraw/zinc/79/96/29/968799629.db2.gz QWZGTDWQIGLSLY-AWEZNQCLSA-N 2 0 239.407 1.354 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+](CC1(C)COC1)CC2 ZINC001207801780 968887479 /nfs/dbraw/zinc/88/74/79/968887479.db2.gz SPWPINGPIGAVBP-UHFFFAOYSA-N 2 0 224.348 1.051 20 0 BDADRP CCC[N@H+](CCC[NH+](C)C)C[C@H]1CCCO1 ZINC001207894696 968917609 /nfs/dbraw/zinc/91/76/09/968917609.db2.gz UKNXQSPPQLQSKH-CYBMUJFWSA-N 2 0 228.380 1.829 20 0 BDADRP CCC[C@@H](O)C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001252789252 968967681 /nfs/dbraw/zinc/96/76/81/968967681.db2.gz OZFCNSDLDQFMOT-GFCCVEGCSA-N 2 0 226.364 1.175 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCCSC2)C12CCC2 ZINC000405308887 968973998 /nfs/dbraw/zinc/97/39/98/968973998.db2.gz NSIHXWDSTYCPLA-AXFHLTTASA-N 2 0 226.389 1.742 20 0 BDADRP CC[N@H+]1C[C@@H]2C[NH+](CCCn3cccn3)C[C@@H]2C1 ZINC001208086116 968990576 /nfs/dbraw/zinc/99/05/76/968990576.db2.gz FOSWGNPBFVEQGQ-OKILXGFUSA-N 2 0 248.374 1.157 20 0 BDADRP Cc1cnc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)c(C[NH3+])c1 ZINC001155586505 969016138 /nfs/dbraw/zinc/01/61/38/969016138.db2.gz WSSLQIDPQOGJOE-WXHSDQCUSA-N 2 0 246.358 1.259 20 0 BDADRP CC[NH+](CC)C[C@@H](O)C[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC001253203209 969108725 /nfs/dbraw/zinc/10/87/25/969108725.db2.gz QEMJVWAQOQSSGV-UPJWGTAASA-N 2 0 246.370 1.559 20 0 BDADRP C[NH+](C)CC1(CN2CC([NH+](C)C)C2)CCCC1 ZINC001208184792 969119524 /nfs/dbraw/zinc/11/95/24/969119524.db2.gz PPSWBADUMBYNAD-UHFFFAOYSA-N 2 0 239.407 1.354 20 0 BDADRP C[NH2+]Cc1cc(-c2ccc(C[NH3+])cc2)ncn1 ZINC001241911662 969142742 /nfs/dbraw/zinc/14/27/42/969142742.db2.gz YAGXSQZLGXIMMU-UHFFFAOYSA-N 2 0 228.299 1.322 20 0 BDADRP C[N@@H+]1CCC[C@H](CN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001208605027 969156765 /nfs/dbraw/zinc/15/67/65/969156765.db2.gz WSWOKEDCMDJMIQ-RWMBFGLXSA-N 2 0 224.348 1.191 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2C[C@@H](C)OC[C@H]2C)CC1 ZINC001208601619 969158706 /nfs/dbraw/zinc/15/87/06/969158706.db2.gz OATBUKOJLKKLPI-CHWSQXEVSA-N 2 0 240.391 1.828 20 0 BDADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@@H]1CC12CCCC2 ZINC001253409219 969164380 /nfs/dbraw/zinc/16/43/80/969164380.db2.gz RJNCOTYYHZQIDM-NWDGAFQWSA-N 2 0 240.391 1.658 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH+]2CCCC3(COC3)C2)C1 ZINC001208607622 969166801 /nfs/dbraw/zinc/16/68/01/969166801.db2.gz MAQFAMACMDEZOP-ZDUSSCGKSA-N 2 0 238.375 1.441 20 0 BDADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]CC1CC(C)(C)C1 ZINC001253412242 969167095 /nfs/dbraw/zinc/16/70/95/969167095.db2.gz CUZPJQQKIOYSCL-LBPRGKRZSA-N 2 0 242.407 1.761 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@@]3(CCO3)C2)C1 ZINC001208613439 969168845 /nfs/dbraw/zinc/16/88/45/969168845.db2.gz UENYJDBIZUMZBF-UONOGXRCSA-N 2 0 238.375 1.583 20 0 BDADRP CCCCC[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+](C)C1 ZINC001253547210 969221259 /nfs/dbraw/zinc/22/12/59/969221259.db2.gz FQVUGPZURWGSAY-QWHCGFSZSA-N 2 0 228.380 1.469 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cnccn2)CCC[C@@H]1C[NH3+] ZINC001205993136 969222501 /nfs/dbraw/zinc/22/25/01/969222501.db2.gz GZJFMIGMNZLAAU-VXGBXAGGSA-N 2 0 234.347 1.283 20 0 BDADRP Cc1cc2[nH]ccc2c(N2CC[C@@H]([NH3+])C2)[nH+]1 ZINC001156227138 969229006 /nfs/dbraw/zinc/22/90/06/969229006.db2.gz PSPYXZXNLDDFKB-SECBINFHSA-N 2 0 216.288 1.409 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCC=CO3)C[C@@H]2C1 ZINC001208880767 969269683 /nfs/dbraw/zinc/26/96/83/969269683.db2.gz UHAPKOORLRXNHK-RDBSUJKOSA-N 2 0 236.359 1.563 20 0 BDADRP COCCC[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC001209054985 969340767 /nfs/dbraw/zinc/34/07/67/969340767.db2.gz QEEBYURZKIPIOY-UHFFFAOYSA-N 2 0 249.358 1.549 20 0 BDADRP Cc1cnc(C[NH3+])n1-c1ccc2c(c1)C[NH2+]C2 ZINC001169028029 969346754 /nfs/dbraw/zinc/34/67/54/969346754.db2.gz FSKJCJRSXLJQND-UHFFFAOYSA-N 2 0 228.299 1.243 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+](C[C@H](O)C(C)(C)C)CC2 ZINC001253730358 969352932 /nfs/dbraw/zinc/35/29/32/969352932.db2.gz SZCMOCPJLQDDFQ-LBPRGKRZSA-N 2 0 240.391 1.421 20 0 BDADRP Cc1cnc(C[NH3+])n1-c1ccc([C@H](C)[NH3+])nc1 ZINC001169031166 969353602 /nfs/dbraw/zinc/35/36/02/969353602.db2.gz YOYPMKMUBQCCLS-VIFPVBQESA-N 2 0 231.303 1.054 20 0 BDADRP Cc1cnc(C[NH3+])n1-c1cccc2c1CC[C@H]2[NH3+] ZINC001169030448 969353841 /nfs/dbraw/zinc/35/38/41/969353841.db2.gz AROTVJZXZXPOBC-GFCCVEGCSA-N 2 0 242.326 1.585 20 0 BDADRP Cn1cc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC001169098398 969390160 /nfs/dbraw/zinc/39/01/60/969390160.db2.gz HFMQSYANEHTQDS-ZSOGYDGISA-N 2 0 248.374 1.177 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CC3(COC3)C1)C2 ZINC001169099448 969390942 /nfs/dbraw/zinc/39/09/42/969390942.db2.gz RQIYLTHDYKTEAJ-UOJUARBOSA-N 2 0 236.359 1.380 20 0 BDADRP CN([C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)(C)C[NH3+] ZINC001169100320 969393821 /nfs/dbraw/zinc/39/38/21/969393821.db2.gz ITVLOQAVYROMGN-ZSBIGDGJSA-N 2 0 225.380 1.281 20 0 BDADRP COC[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169078355 969395547 /nfs/dbraw/zinc/39/55/47/969395547.db2.gz DKTIHLPDDWBLLX-KKOKHZNYSA-N 2 0 212.337 1.236 20 0 BDADRP COC[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169078358 969395624 /nfs/dbraw/zinc/39/56/24/969395624.db2.gz DKTIHLPDDWBLLX-YFKTTZPYSA-N 2 0 212.337 1.236 20 0 BDADRP Cn1cnc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001169078741 969399867 /nfs/dbraw/zinc/39/98/67/969399867.db2.gz FUAGPHLOWHGDQR-BTTYYORXSA-N 2 0 248.374 1.177 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](n1cncc1CC[NH3+])C2 ZINC001169082191 969401937 /nfs/dbraw/zinc/40/19/37/969401937.db2.gz YFHMFMZOEZIWTL-PTEHBNRSSA-N 2 0 234.347 1.182 20 0 BDADRP CCN(CC[NH+](C)C)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169125333 969424178 /nfs/dbraw/zinc/42/41/78/969424178.db2.gz ZHUYRKJWZBKJFD-WDNDVIMCSA-N 2 0 239.407 1.495 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC(C3COC3)C1)C2 ZINC001169125770 969424872 /nfs/dbraw/zinc/42/48/72/969424872.db2.gz LABXZQLDTSIMMK-WDNDVIMCSA-N 2 0 236.359 1.190 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@](C)(CO)C1)C2 ZINC001169125412 969426628 /nfs/dbraw/zinc/42/66/28/969426628.db2.gz HZCMGCATGSANOX-DGAVXFQQSA-N 2 0 238.375 1.316 20 0 BDADRP CN1CC2(C1)CC[N@@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169152210 969461389 /nfs/dbraw/zinc/46/13/89/969461389.db2.gz AWSRTPFYVUGKQH-WDNDVIMCSA-N 2 0 249.402 1.249 20 0 BDADRP CN1CC[C@H]2C[N@@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C[C@H]21 ZINC001169148448 969462593 /nfs/dbraw/zinc/46/25/93/969462593.db2.gz ZFKTZPOHGJZLSO-VQJWOFKYSA-N 2 0 249.402 1.248 20 0 BDADRP CO[C@H](C)C1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169154421 969469727 /nfs/dbraw/zinc/46/97/27/969469727.db2.gz QDGFDLRHOJEFRJ-RUZUBIRVSA-N 2 0 238.375 1.578 20 0 BDADRP CC[NH+]1CCC(NC(C)(C)CC[NH+](C)C)CC1 ZINC001169230091 969500721 /nfs/dbraw/zinc/50/07/21/969500721.db2.gz OZWDAUSWZGHRCZ-UHFFFAOYSA-N 2 0 241.423 1.791 20 0 BDADRP CC[NH+]1CCC([NH2+]CCc2ccncn2)CC1 ZINC001169244147 969530935 /nfs/dbraw/zinc/53/09/35/969530935.db2.gz DGUMOELKKUWYRW-UHFFFAOYSA-N 2 0 234.347 1.093 20 0 BDADRP Cc1ccc(CN(C)CCC[NH+](C)C)[nH]1 ZINC001209566182 969546531 /nfs/dbraw/zinc/54/65/31/969546531.db2.gz HRCXPTGAXRYUCE-UHFFFAOYSA-N 2 0 209.337 1.707 20 0 BDADRP CC[NH+]1CCC(N2CCO[C@@H](C(C)C)C2)CC1 ZINC001169261204 969546956 /nfs/dbraw/zinc/54/69/56/969546956.db2.gz CWPPMTXDQSXNKY-CQSZACIVSA-N 2 0 240.391 1.828 20 0 BDADRP Cc1ccc(C[NH+]2CC3(C2)CC[NH+](C)CC3)[nH]1 ZINC001209579848 969562626 /nfs/dbraw/zinc/56/26/26/969562626.db2.gz YBQOAADFXDEGFC-UHFFFAOYSA-N 2 0 233.359 1.851 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccc(N)nc2)CCC[C@H]1C[NH3+] ZINC001206011792 969630332 /nfs/dbraw/zinc/63/03/32/969630332.db2.gz GOSPAWZJXHSXMP-YPMHNXCESA-N 2 0 248.374 1.471 20 0 BDADRP CN([C@@H]1CCC[N@H+](C)CC1)C(C)(C)C[NH3+] ZINC001254506621 969649455 /nfs/dbraw/zinc/64/94/55/969649455.db2.gz VQLXUMMQALXRRP-LLVKDONJSA-N 2 0 213.369 1.140 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CC[C@@](C)(O)CC2)CC1 ZINC001254498418 969657334 /nfs/dbraw/zinc/65/73/34/969657334.db2.gz ZRWJFYATCSZFOX-MELADBBJSA-N 2 0 240.391 1.754 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+]C(C)(C)CCO)CC1 ZINC001254500726 969658790 /nfs/dbraw/zinc/65/87/90/969658790.db2.gz KCMKTAGYCHIHSD-NSHDSACASA-N 2 0 214.353 1.221 20 0 BDADRP C[N@@H+]1CCC[C@@H](N(CC[NH3+])c2cccnc2)CC1 ZINC001254503652 969667191 /nfs/dbraw/zinc/66/71/91/969667191.db2.gz OJLNRGPZKDOGKW-CYBMUJFWSA-N 2 0 248.374 1.331 20 0 BDADRP C[C@@H]1C[N@@H+]([C@H]2CCC[NH+](C)CC2)CC[C@H]1O ZINC001254517719 969699338 /nfs/dbraw/zinc/69/93/38/969699338.db2.gz YJYQCPFQMQVTHB-FRRDWIJNSA-N 2 0 226.364 1.173 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH+]2CC[C@]3(CCOC3)C2)CC1 ZINC001254518516 969699475 /nfs/dbraw/zinc/69/94/75/969699475.db2.gz BVDXJATUMKLJJR-KBPBESRZSA-N 2 0 238.375 1.583 20 0 BDADRP C[N@H+]([C@@H]1CCOC1)[C@H]1CCC[NH+](C)CC1 ZINC001254522048 969708705 /nfs/dbraw/zinc/70/87/05/969708705.db2.gz BCOUGOBFKZCYOA-NWDGAFQWSA-N 2 0 212.337 1.191 20 0 BDADRP C[N@@H+]1CCC[C@H](N2CC[NH+]3CCC[C@H]3C2)CC1 ZINC001254522957 969710673 /nfs/dbraw/zinc/71/06/73/969710673.db2.gz LCMUDPQXVCYXAJ-KBPBESRZSA-N 2 0 237.391 1.251 20 0 BDADRP CCCO[C@H]1CC[N@@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254524694 969716146 /nfs/dbraw/zinc/71/61/46/969716146.db2.gz YTCPVYPCMFJMPB-KBPBESRZSA-N 2 0 240.391 1.972 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH+]2CCC[C@@]23CCOC3)CC1 ZINC001254529164 969716680 /nfs/dbraw/zinc/71/66/80/969716680.db2.gz KMVFXQGSWIUJQM-KBPBESRZSA-N 2 0 238.375 1.726 20 0 BDADRP C[N@@H+]1CCC[C@H](n2ccc3c2CC[NH2+]C3)CC1 ZINC001254531013 969728833 /nfs/dbraw/zinc/72/88/33/969728833.db2.gz ISXMGDFDOIEJSK-ZDUSSCGKSA-N 2 0 233.359 1.791 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cncc(O)c2)CCC[C@H]1C[NH3+] ZINC001206012764 969737635 /nfs/dbraw/zinc/73/76/35/969737635.db2.gz NPTUJSVRDKUWAF-YPMHNXCESA-N 2 0 249.358 1.594 20 0 BDADRP C[C@H]([NH3+])c1ccn([C@H]2CC3CC[NH+](CC3)C2)n1 ZINC001254840593 969800544 /nfs/dbraw/zinc/80/05/44/969800544.db2.gz JXYBOPIYMKQBQQ-JQWIXIFHSA-N 2 0 234.347 1.560 20 0 BDADRP Cc1cc2[nH+]ccn2cc1-n1ccc(C[NH3+])c1 ZINC001169726686 969819396 /nfs/dbraw/zinc/81/93/96/969819396.db2.gz YBRPNAZNMPDALR-UHFFFAOYSA-N 2 0 226.283 1.892 20 0 BDADRP [NH3+]CCSCC[NH2+]C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001254936597 969823843 /nfs/dbraw/zinc/82/38/43/969823843.db2.gz VNRXLEOOHMUYRK-UWVGGRQHSA-N 2 0 242.388 1.026 20 0 BDADRP C[C@H](C[NH3+])C[N@H+](C)[C@@H]1CCCC2(C1)OCCO2 ZINC001169921723 969887438 /nfs/dbraw/zinc/88/74/38/969887438.db2.gz ATRQRKPAPVUERE-VXGBXAGGSA-N 2 0 242.363 1.199 20 0 BDADRP CN(c1ccc2[nH]c(N)[nH+]c2c1)C(C)(C)C[NH3+] ZINC001170059866 970117489 /nfs/dbraw/zinc/11/74/89/970117489.db2.gz WECWJSMPJVSUID-UHFFFAOYSA-N 2 0 233.319 1.319 20 0 BDADRP C[C@H]([NH3+])c1nc2ccccc2n1[C@@H]1CC[N@H+](C)C1 ZINC001255412208 970132642 /nfs/dbraw/zinc/13/26/42/970132642.db2.gz MEYLTPKPWSCUSD-WDEREUQCSA-N 2 0 244.342 1.933 20 0 BDADRP C[N@@H+]1CC[C@@H](N(C(N)=[NH2+])c2ccccc2)C1 ZINC001255415267 970134557 /nfs/dbraw/zinc/13/45/57/970134557.db2.gz GNTKNYGRHAJGGD-LLVKDONJSA-N 2 0 218.304 1.091 20 0 BDADRP C[C@H](C[NH2+][C@H]1CCN(C)C1)CC(C)(C)CC[NH3+] ZINC001255422411 970146163 /nfs/dbraw/zinc/14/61/63/970146163.db2.gz XRBBLWLFUUUQIP-STQMWFEESA-N 2 0 241.423 1.681 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CCN(C)C1)CC(C)(C)CC[NH3+] ZINC001255422409 970147514 /nfs/dbraw/zinc/14/75/14/970147514.db2.gz XRBBLWLFUUUQIP-QWHCGFSZSA-N 2 0 241.423 1.681 20 0 BDADRP CN1CC[C@@H]([N@@H+]2CCCC[C@H](CCC[NH3+])C2)C1 ZINC001255425700 970149106 /nfs/dbraw/zinc/14/91/06/970149106.db2.gz IQRLEZJYUMEBCZ-ZIAGYGMSSA-N 2 0 239.407 1.532 20 0 BDADRP CCN([C@@H]1CC[N@H+](C)C1)C1CC[NH+](C)CC1 ZINC001255435681 970159270 /nfs/dbraw/zinc/15/92/70/970159270.db2.gz KLCSYHNTEZGULD-CYBMUJFWSA-N 2 0 225.380 1.107 20 0 BDADRP C[N@@H+]1CC[C@@H](N2CC[NH+](C3CCCC3)CC2)C1 ZINC001255435254 970161205 /nfs/dbraw/zinc/16/12/05/970161205.db2.gz CMFRDSSYOXIPPJ-CQSZACIVSA-N 2 0 237.391 1.251 20 0 BDADRP C[N@@H+]1CC[C@@]2(CCN([C@@H]3CCC[NH+](C)C3)C2)C1 ZINC001255492627 970253286 /nfs/dbraw/zinc/25/32/86/970253286.db2.gz IYUAJWMTJZESDD-ZIAGYGMSSA-N 2 0 237.391 1.108 20 0 BDADRP C[NH+](C)C1CC[NH+]([C@H]2CCOC(C)(C)C2)CC1 ZINC001255535150 970303229 /nfs/dbraw/zinc/30/32/29/970303229.db2.gz KUUMNNJWKKLPHV-ZDUSSCGKSA-N 2 0 240.391 1.970 20 0 BDADRP CCN(c1cc2[nH]ccc2c[nH+]1)C1CN(C)C1 ZINC001157455544 970317485 /nfs/dbraw/zinc/31/74/85/970317485.db2.gz OZXIKEDNKCDMDW-UHFFFAOYSA-N 2 0 230.315 1.703 20 0 BDADRP CN1CC(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001255670058 970448539 /nfs/dbraw/zinc/44/85/39/970448539.db2.gz MKDLWTCTVCXASM-AGUYFDCRSA-N 2 0 237.391 1.153 20 0 BDADRP CC(=O)OCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255676410 970450636 /nfs/dbraw/zinc/45/06/36/970450636.db2.gz MNRPFPFDTQBXSF-YHWZYXNKSA-N 2 0 240.347 1.154 20 0 BDADRP CC[NH+](CC)CC[C@H](C)NC(C)(C)C[NH3+] ZINC001255942378 970562868 /nfs/dbraw/zinc/56/28/68/970562868.db2.gz FJUHHEHMHMIGGW-NSHDSACASA-N 2 0 215.385 1.434 20 0 BDADRP CC[C@@H](O)C[NH2+][C@@H](C)CC[NH+](CC)CC ZINC001255942153 970564655 /nfs/dbraw/zinc/56/46/55/970564655.db2.gz DUDRSRJMJCQSSJ-NWDGAFQWSA-N 2 0 216.369 1.467 20 0 BDADRP CC[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])CCO1 ZINC001170204892 970569299 /nfs/dbraw/zinc/56/92/99/970569299.db2.gz TUVKCTMDDXTJAA-FIQHERPVSA-N 2 0 212.337 1.413 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]C[C@H](C)O ZINC001255940033 970572746 /nfs/dbraw/zinc/57/27/46/970572746.db2.gz LUNTWFFAGSAHKM-QWRGUYRKSA-N 2 0 202.342 1.077 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]C1CC(O)C1 ZINC001255941583 970573174 /nfs/dbraw/zinc/57/31/74/970573174.db2.gz UJECYKACHROAJI-VOMCLLRMSA-N 2 0 214.353 1.220 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]C[C@@H](C)CO ZINC001255942268 970576425 /nfs/dbraw/zinc/57/64/25/970576425.db2.gz DXKUVHUAXIYTJV-VXGBXAGGSA-N 2 0 216.369 1.325 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+][C@H]1C[C@@](C)(O)C1 ZINC001255945347 970576574 /nfs/dbraw/zinc/57/65/74/970576574.db2.gz KLVFQKYWOUOZIF-RWMBFGLXSA-N 2 0 228.380 1.610 20 0 BDADRP Cc1cnccc1C[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000400349435 970581514 /nfs/dbraw/zinc/58/15/14/970581514.db2.gz LUMKMLDZDLHJMA-GFCCVEGCSA-N 2 0 233.359 1.868 20 0 BDADRP C[C@H]([NH2+]CC1=CCCOC1)C1CC[NH2+]CC1 ZINC000400362152 970583080 /nfs/dbraw/zinc/58/30/80/970583080.db2.gz DKQVWGIBIOPKEO-NSHDSACASA-N 2 0 224.348 1.311 20 0 BDADRP CCn1cc(C[NH2+][C@H](C)C2CC[NH2+]CC2)cn1 ZINC000400503230 970596742 /nfs/dbraw/zinc/59/67/42/970596742.db2.gz JEINBHLDKQEKAX-LLVKDONJSA-N 2 0 236.363 1.381 20 0 BDADRP [NH3+]Cc1nccn1C1CC[NH+](C2CC2)CC1 ZINC001256066592 970632445 /nfs/dbraw/zinc/63/24/45/970632445.db2.gz JBFZIOATEIMCOY-UHFFFAOYSA-N 2 0 220.320 1.141 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](C2CC2)CC1 ZINC001256080157 970645667 /nfs/dbraw/zinc/64/56/67/970645667.db2.gz SKHASGTWUNAIDP-GASCZTMLSA-N 2 0 249.402 1.392 20 0 BDADRP CC(C)C[C@H](O)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400954792 970646835 /nfs/dbraw/zinc/64/68/35/970646835.db2.gz IYTPJYBLAHWZGF-RQJABVFESA-N 2 0 240.391 1.371 20 0 BDADRP C1CC1[NH+]1CCC(N2CC([NH+]3CCCC3)C2)CC1 ZINC001256076076 970646944 /nfs/dbraw/zinc/64/69/44/970646944.db2.gz AXSKJAHFOPLDIU-UHFFFAOYSA-N 2 0 249.402 1.393 20 0 BDADRP C1=CO[C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000400922925 970647389 /nfs/dbraw/zinc/64/73/89/970647389.db2.gz GKYZNFGLPFEGRR-SYQHCUMBSA-N 2 0 236.359 1.657 20 0 BDADRP C(=C\C1CC1)\C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401011630 970651761 /nfs/dbraw/zinc/65/17/61/970651761.db2.gz HERSOQGWZNKUFG-SHVYAEHCSA-N 2 0 220.360 1.930 20 0 BDADRP C[NH+]1CCC(N[C@H]2CC[N@@H+](C3CCC3)C2)CC1 ZINC001256198236 970698653 /nfs/dbraw/zinc/69/86/53/970698653.db2.gz GPSZZTCXTRILLO-ZDUSSCGKSA-N 2 0 237.391 1.297 20 0 BDADRP [NH3+]CC1(F)CC[NH+](Cc2ccc[nH]c2=O)CC1 ZINC001222532895 972555312 /nfs/dbraw/zinc/55/53/12/972555312.db2.gz PDPPPAXXCPBUOC-UHFFFAOYSA-N 2 0 239.294 1.050 20 0 BDADRP Cc1ccc(C[NH+]2CCC(F)(C[NH3+])CC2)o1 ZINC001222532483 972556406 /nfs/dbraw/zinc/55/64/06/972556406.db2.gz MIAXUZLSFVSUKM-UHFFFAOYSA-N 2 0 226.295 1.851 20 0 BDADRP Nc1ccccc1C[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222548644 972559610 /nfs/dbraw/zinc/55/96/10/972559610.db2.gz WFIRGCOKDAUBEP-UHFFFAOYSA-N 2 0 237.322 1.532 20 0 BDADRP CCCCC[C@H](CC)[N@@H+]1C[C@H](N)C[C@H](O)C1 ZINC001246542462 972585902 /nfs/dbraw/zinc/58/59/02/972585902.db2.gz QOHAMCMTZCJSJN-AGIUHOORSA-N 2 0 228.380 1.739 20 0 BDADRP Cn1cncc1CO[C@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001222600605 972595992 /nfs/dbraw/zinc/59/59/92/972595992.db2.gz RWQRRYBLJIQFRP-IMRBUKKESA-N 2 0 249.358 1.667 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2CCC[C@@H]([NH3+])CC2)CC1 ZINC001246544933 972606524 /nfs/dbraw/zinc/60/65/24/972606524.db2.gz IIMPZRKJLXTAHH-IYXRBSQSSA-N 3 0 239.407 1.672 20 0 BDADRP CCC[C@@H](C)[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246545277 972629944 /nfs/dbraw/zinc/62/99/44/972629944.db2.gz VSBLVIOPFPMDQG-NEPJUHHUSA-N 2 0 214.353 1.351 20 0 BDADRP COC[C@@H](C)[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246545541 972632841 /nfs/dbraw/zinc/63/28/41/972632841.db2.gz BVEDIIXGIDYQHZ-GHMZBOCLSA-N 2 0 218.316 1.174 20 0 BDADRP [NH3+][C@H]1CCCN([C@@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001246548089 972677926 /nfs/dbraw/zinc/67/79/26/972677926.db2.gz QPCPKPPTXRJPRR-UONOGXRCSA-N 2 0 237.391 1.284 20 0 BDADRP [NH3+]C[C@]1(F)CCC[N@@H+]([C@@H]2CCCOCC2)CC1 ZINC001246551779 972728098 /nfs/dbraw/zinc/72/80/98/972728098.db2.gz RCUMGIMYOBFREG-OLZOCXBDSA-N 2 0 244.354 1.708 20 0 BDADRP C[C@@]1([NH3+])CCC[N@@H+]([C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001246553886 972745076 /nfs/dbraw/zinc/74/50/76/972745076.db2.gz TVHNJENLXVBIGG-MROQNXINSA-N 2 0 208.349 1.988 20 0 BDADRP C[NH2+][C@@H](C)CCN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC001327839654 972755766 /nfs/dbraw/zinc/75/57/66/972755766.db2.gz JTQAFEYKFFTJQG-SRVKXCTJSA-N 2 0 213.369 1.105 20 0 BDADRP C[NH2+][C@@H](C)CC[NH2+][C@@H](COC)C(C)C ZINC001327840658 972755794 /nfs/dbraw/zinc/75/57/94/972755794.db2.gz RGDGBMPVSNYLKY-QWRGUYRKSA-N 2 0 202.342 1.245 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@](O)(CF)CC2)CC[NH2+]1 ZINC001246568171 972824106 /nfs/dbraw/zinc/82/41/06/972824106.db2.gz MDANXLFNXZTQNH-JHJVBQTASA-N 2 0 244.354 1.313 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N1C[C@H](F)C[C@H]([NH3+])C1 ZINC001246572392 972853163 /nfs/dbraw/zinc/85/31/63/972853163.db2.gz GVILUZJIQVBRBO-XQQFMLRXSA-N 2 0 245.386 1.478 20 0 BDADRP Cc1cc(N(C)C)[nH+]cc1NCC(C)(C)[NH3+] ZINC001171196184 972853756 /nfs/dbraw/zinc/85/37/56/972853756.db2.gz UEONEVHRLGZPTJ-UHFFFAOYSA-N 2 0 222.336 1.605 20 0 BDADRP CC[C@@H]1C[C@@H](N2CC[NH2+][C@@H](C)C2)C[C@H](CC)[NH2+]1 ZINC001246573240 972860426 /nfs/dbraw/zinc/86/04/26/972860426.db2.gz IIVSRQIDSBOQER-FQUUOJAGSA-N 2 0 239.407 1.589 20 0 BDADRP CC1(C)CCC[C@@H]([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)C1 ZINC001246586966 972976278 /nfs/dbraw/zinc/97/62/78/972976278.db2.gz UWFWWDCRMNCIBR-TUAOUCFPSA-N 2 0 226.364 1.207 20 0 BDADRP C1C[NH2+]C[C@H](N2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246627710 973044315 /nfs/dbraw/zinc/04/43/15/973044315.db2.gz WPHCJOSAVXFIDN-CYBMUJFWSA-N 2 0 237.391 1.204 20 0 BDADRP C1C[C@@H]2[C@@H](CC[N@@H+]2[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)[NH2+]1 ZINC001246634701 973048433 /nfs/dbraw/zinc/04/84/33/973048433.db2.gz AWRPRQATZMDUOJ-TUVASFSCSA-N 3 0 249.402 1.345 20 0 BDADRP CC[C@@H]1C[C@H](N(C)[C@@H]2CC[NH2+]C2)C[C@H](CC)[NH2+]1 ZINC001246803034 973103558 /nfs/dbraw/zinc/10/35/58/973103558.db2.gz LZORWBSFRSNQEK-RQJABVFESA-N 2 0 239.407 1.589 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1C[C@@H]3CC[C@]3([NH3+])C1)C2 ZINC001246854680 973166982 /nfs/dbraw/zinc/16/69/82/973166982.db2.gz QNXZIYBFVHBBJL-QNSTZXKLSA-N 2 0 235.375 1.035 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)CC1 ZINC001246854628 973170705 /nfs/dbraw/zinc/17/07/05/973170705.db2.gz QMDLOAKGZKHEMV-ABXWRUBCSA-N 3 0 237.391 1.282 20 0 BDADRP [NH3+][C@]12CC[C@H]1C[N@@H+]([C@@H]1CCC3(C1)CC[NH2+]CC3)C2 ZINC001246860590 973183532 /nfs/dbraw/zinc/18/35/32/973183532.db2.gz NLBFDZWZWUHPHA-GUTXKFCHSA-N 3 0 249.402 1.332 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N1C[C@H]2C[C@@]2([NH3+])C1 ZINC001246866642 973197195 /nfs/dbraw/zinc/19/71/95/973197195.db2.gz FZCOGRHMXVLPBB-YNEHKIRRSA-N 2 0 225.380 1.140 20 0 BDADRP C[C@H]1C[C@@H](N2CC[NH2+]C[C@@H]2c2ccccc2)C[NH2+]1 ZINC001246888493 973322284 /nfs/dbraw/zinc/32/22/84/973322284.db2.gz WILYIDXSSMUXOT-NWANDNLSSA-N 2 0 245.370 1.383 20 0 BDADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C[C@H]1CCC[NH2+]C1 ZINC000720891293 973379950 /nfs/dbraw/zinc/37/99/50/973379950.db2.gz DZMJXKMQTVSACY-MELADBBJSA-N 2 0 237.391 1.155 20 0 BDADRP CC[C@@H]1C[C@H](N(C)[C@@]2(C)CCC[NH2+]C2)CC[NH2+]1 ZINC001246916859 973469490 /nfs/dbraw/zinc/46/94/90/973469490.db2.gz YCKUTOGFXFJCNR-MCIONIFRSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H]1CC[C@H](N2CC[C@H]3[NH2+]CCC[C@@H]3C2)C[NH2+]1 ZINC001247014161 973795683 /nfs/dbraw/zinc/79/56/83/973795683.db2.gz JERNTOWANZZBLM-YIYPIFLZSA-N 2 0 237.391 1.201 20 0 BDADRP c1cc(NC[C@@H]2CCCC[NH2+]2)cc2c1C[NH2+]C2 ZINC001171334406 973862209 /nfs/dbraw/zinc/86/22/09/973862209.db2.gz MJQAQBYBPCWFHI-AWEZNQCLSA-N 2 0 231.343 1.844 20 0 BDADRP [NH3+]Cc1cccc(NC[C@@H]2CCCC[NH2+]2)n1 ZINC001171335686 973879516 /nfs/dbraw/zinc/87/95/16/973879516.db2.gz QTTJZMOMDOWZJM-NSHDSACASA-N 2 0 220.320 1.094 20 0 BDADRP CC[N@@H+]1CCC[C@@H](OCCC[NH+]2CCCC2)C1 ZINC001224745135 973903577 /nfs/dbraw/zinc/90/35/77/973903577.db2.gz XEKLOHHSYGWOLH-CQSZACIVSA-N 2 0 240.391 1.973 20 0 BDADRP C[N@@H+]1CCC[C@H]1CO[C@H]1CCc2nccn2C1 ZINC001224816807 973989969 /nfs/dbraw/zinc/98/99/69/973989969.db2.gz ARLHOHXVNPVTRW-RYUDHWBXSA-N 2 0 235.331 1.309 20 0 BDADRP [NH3+]C1CC([NH2+][C@@H]2CCc3c(F)cccc3C2)C1 ZINC001171410722 974018454 /nfs/dbraw/zinc/01/84/54/974018454.db2.gz WYJDYJZSALPNGE-MOENNCHZSA-N 2 0 234.318 1.762 20 0 BDADRP COc1cc[nH+]c(N2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000257681323 974104831 /nfs/dbraw/zinc/10/48/31/974104831.db2.gz HAVGFQTTWKSDHK-AWEZNQCLSA-N 2 0 247.342 1.670 20 0 BDADRP C[C@@H](C[NH3+])CNC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171626099 974118259 /nfs/dbraw/zinc/11/82/59/974118259.db2.gz VQYLXQMUUVXXFI-NSHDSACASA-N 2 0 241.423 1.822 20 0 BDADRP C[C@@H](O)CC[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171625159 974121227 /nfs/dbraw/zinc/12/12/27/974121227.db2.gz DGBUSEMNTUKXAG-LLVKDONJSA-N 2 0 242.407 1.998 20 0 BDADRP C[NH+](C)CCCCO[C@@H]1CCC[N@H+](C)C1 ZINC001224993127 974126884 /nfs/dbraw/zinc/12/68/84/974126884.db2.gz ZNFIEFKGSRTKGB-GFCCVEGCSA-N 2 0 214.353 1.439 20 0 BDADRP C[NH+](C)CCC[NH2+][C@@H]1Cc2cccc(F)c2C1 ZINC001171768202 974151365 /nfs/dbraw/zinc/15/13/65/974151365.db2.gz FMNAGPWTXSOFDD-GFCCVEGCSA-N 2 0 236.334 1.834 20 0 BDADRP CC1(C[N@@H+]2CC[C@@H](N)[C@H](F)CC2)CC[NH2+]CC1 ZINC001206153101 974239781 /nfs/dbraw/zinc/23/97/81/974239781.db2.gz BPJMOQGGYYZCSA-VXGBXAGGSA-N 2 0 243.370 1.137 20 0 BDADRP N[C@@H]1CC[N@H+](CC2CCOCC2)CC[C@H]1F ZINC001206156760 974331641 /nfs/dbraw/zinc/33/16/41/974331641.db2.gz SPDJDMWADWFCED-VXGBXAGGSA-N 2 0 230.327 1.174 20 0 BDADRP N[C@H]1CC[N@H+](CC2CCSCC2)CC[C@H]1F ZINC001206156805 974334482 /nfs/dbraw/zinc/33/44/82/974334482.db2.gz SZVRPGOXKPZJAV-NEPJUHHUSA-N 2 0 246.395 1.891 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC(C)(C)CO)C2 ZINC001172100606 974347017 /nfs/dbraw/zinc/34/70/17/974347017.db2.gz QKARKVZAELDKHO-CLLJXQQHSA-N 2 0 240.391 1.610 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](n1cnc(C[NH3+])c1)C2 ZINC001172099876 974347668 /nfs/dbraw/zinc/34/76/68/974347668.db2.gz NTEODASJHDDZML-CLLJXQQHSA-N 2 0 234.347 1.530 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[NH+]3CC[C@H]3C1)C2 ZINC001172133623 974354147 /nfs/dbraw/zinc/35/41/47/974354147.db2.gz UAGREEMBGVHSPQ-XGUBFFRZSA-N 2 0 249.402 1.392 20 0 BDADRP CC[C@H](O)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172103186 974359093 /nfs/dbraw/zinc/35/90/93/974359093.db2.gz UGYUDKIMBYTRDC-RNJOBUHISA-N 2 0 226.364 1.362 20 0 BDADRP CCc1cc(CN2CC[C@@H](F)[C@@H]([NH3+])CC2)on1 ZINC001206157185 974376576 /nfs/dbraw/zinc/37/65/76/974376576.db2.gz XEAPEHJLEURPHO-NEPJUHHUSA-N 2 0 241.310 1.498 20 0 BDADRP C[NH+](C)Cc1ccc(O[C@@H]2CC[N@H+](C)C2)cc1 ZINC001225330719 974405050 /nfs/dbraw/zinc/40/50/50/974405050.db2.gz OMYPISIFHHATND-CQSZACIVSA-N 2 0 234.343 1.831 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)cc1 ZINC001330702578 974428170 /nfs/dbraw/zinc/42/81/70/974428170.db2.gz XHKKNGDUZWJXBI-RFUOJGKKSA-N 2 0 245.326 1.253 20 0 BDADRP C[NH+](C)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172217495 974445771 /nfs/dbraw/zinc/44/57/71/974445771.db2.gz KZXIFRJGICAREG-YOGCLGLASA-N 2 0 212.337 1.238 20 0 BDADRP CC(C)[N@H+](CCC[NH3+])C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172233409 974476331 /nfs/dbraw/zinc/47/63/31/974476331.db2.gz YDGBQPIYPJKFHN-YHWZYXNKSA-N 2 0 224.348 1.532 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1C[C@@H]3C=C[C@H](C1)O3)C2 ZINC001172233045 974477335 /nfs/dbraw/zinc/47/73/35/974477335.db2.gz PEAUUFWUIUBYPV-MCBYNNTKSA-N 2 0 248.370 1.687 20 0 BDADRP c1n[nH]cc1CC[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001330832818 974496132 /nfs/dbraw/zinc/49/61/32/974496132.db2.gz UCJLUWKPVVFGFT-UHFFFAOYSA-N 2 0 248.374 1.418 20 0 BDADRP CC[C@H](C)OCC[C@@H](C)N1CC[C@H]([NH3+])C1 ZINC001172314802 974522928 /nfs/dbraw/zinc/52/29/28/974522928.db2.gz DUQPYLNNCMNPOA-WOPDTQHZSA-N 2 0 214.353 1.613 20 0 BDADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC([NH3+])(CC)CC1 ZINC001330957527 974541650 /nfs/dbraw/zinc/54/16/50/974541650.db2.gz OHPGKRPFNWQZNI-MNOVXSKESA-N 2 0 241.379 1.090 20 0 BDADRP CC[C@@H](C)OCC[C@H](C)[NH2+]C1CC([NH3+])C1 ZINC001172346373 974615604 /nfs/dbraw/zinc/61/56/04/974615604.db2.gz ZLNPAKANVIFXSE-DMOGRIERSA-N 2 0 214.353 1.659 20 0 BDADRP CCOCC[C@H](C)[N@H+](C)C1CCN(C)CC1 ZINC001172422679 974696377 /nfs/dbraw/zinc/69/63/77/974696377.db2.gz GZQHXJKDYXTEKO-LBPRGKRZSA-N 2 0 228.380 1.828 20 0 BDADRP CC(C)OCC[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C)C1 ZINC001172433625 974717818 /nfs/dbraw/zinc/71/78/18/974717818.db2.gz KDXSVALMNKOVIW-CHWSQXEVSA-N 2 0 228.380 1.731 20 0 BDADRP CCOCC[C@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001172434415 974721674 /nfs/dbraw/zinc/72/16/74/974721674.db2.gz WGTRSKQNEWMXMP-KBPBESRZSA-N 2 0 240.391 1.829 20 0 BDADRP CC(C)COCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC001172468230 974831678 /nfs/dbraw/zinc/83/16/78/974831678.db2.gz NYLRMHDQUVWJTC-RWMBFGLXSA-N 2 0 228.380 1.907 20 0 BDADRP C[C@]1(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)CC[NH2+]C1 ZINC001332338367 975061626 /nfs/dbraw/zinc/06/16/26/975061626.db2.gz CURGSCINSVJWIA-IHRRRGAJSA-N 2 0 238.375 1.487 20 0 BDADRP CC(C)[N@H+](C)CC(=O)NCc1ccccc1C[NH3+] ZINC001332507729 975181605 /nfs/dbraw/zinc/18/16/05/975181605.db2.gz RPVRXDCQJJLYRG-UHFFFAOYSA-N 2 0 249.358 1.102 20 0 BDADRP CCSC[C@@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC001173287474 975250850 /nfs/dbraw/zinc/25/08/50/975250850.db2.gz MHLGPPPBYBIJKL-OUAUKWLOSA-N 2 0 216.394 1.988 20 0 BDADRP CCN1CC[C@H]([NH2+]CCCC[NH+]2CCCC2)C1 ZINC001173350111 975296310 /nfs/dbraw/zinc/29/63/10/975296310.db2.gz NWABVYRLQNRUFD-AWEZNQCLSA-N 2 0 239.407 1.546 20 0 BDADRP CCCC[N@H+](C)CCN[C@@H]1CC[NH+](CC)C1 ZINC001173350484 975297311 /nfs/dbraw/zinc/29/73/11/975297311.db2.gz PAXJXNFIMAIFKT-CYBMUJFWSA-N 2 0 227.396 1.402 20 0 BDADRP CC[N@@H+]1CC[C@@H](n2ccc3cc(C[NH3+])cnc32)C1 ZINC001173352496 975301699 /nfs/dbraw/zinc/30/16/99/975301699.db2.gz NSIAXSUJFABWQZ-CYBMUJFWSA-N 2 0 244.342 1.762 20 0 BDADRP CC[N@@H+]1CC[C@@H](n2c(C[NH3+])nc3cnccc32)C1 ZINC001173356869 975313217 /nfs/dbraw/zinc/31/32/17/975313217.db2.gz GYHTWDSESQQQMA-SNVBAGLBSA-N 2 0 245.330 1.157 20 0 BDADRP CC[N@@H+]1CC[C@@H](NC(C)(C)C(C)(C)[NH3+])C1 ZINC001173360308 975328051 /nfs/dbraw/zinc/32/80/51/975328051.db2.gz NWGIETFKVSNEKD-SNVBAGLBSA-N 2 0 213.369 1.186 20 0 BDADRP CC[N@@H+]1CC[C@H](N2CCC[C@H]2C[NH+](C)C)C1 ZINC001173366021 975346776 /nfs/dbraw/zinc/34/67/76/975346776.db2.gz VFJBBGBGELAYQI-STQMWFEESA-N 2 0 225.380 1.107 20 0 BDADRP CC[N@@H+]1CC[C@@H](N2CC[NH+](C)C(C)(C)C2)C1 ZINC001173373454 975361024 /nfs/dbraw/zinc/36/10/24/975361024.db2.gz XHBYSGOKKBPSJO-GFCCVEGCSA-N 2 0 225.380 1.107 20 0 BDADRP COC(=O)CCCC[C@@H](C)[NH2+]C[C@H](C)C[NH3+] ZINC001173446499 975389023 /nfs/dbraw/zinc/38/90/23/975389023.db2.gz WDIZMMFUBVTFDQ-GHMZBOCLSA-N 2 0 230.352 1.293 20 0 BDADRP CCN(C(=O)CCCCCC[NH3+])[C@@H]1CC[NH2+]C1 ZINC001333273975 975612717 /nfs/dbraw/zinc/61/27/17/975612717.db2.gz WBFUOQNIWZERNG-GFCCVEGCSA-N 2 0 241.379 1.106 20 0 BDADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@@H]3CCCC[C@H]3C2)C1 ZINC001333528896 975830360 /nfs/dbraw/zinc/83/03/60/975830360.db2.gz IJPFJOAOXPKNNF-PEDHHIEDSA-N 2 0 238.375 1.349 20 0 BDADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@H]3CCCC[C@@H]3C2)C1 ZINC001333528894 975832473 /nfs/dbraw/zinc/83/24/73/975832473.db2.gz IJPFJOAOXPKNNF-DGTMBMJNSA-N 2 0 238.375 1.349 20 0 BDADRP C[NH2+][C@H](C)CCN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC001333599545 975881730 /nfs/dbraw/zinc/88/17/30/975881730.db2.gz XBWLCKWGDMKZDC-IJLUTSLNSA-N 2 0 227.396 1.480 20 0 BDADRP C[NH+](C)Cc1ccccc1-n1c[nH+]cc1N ZINC001173930234 976036861 /nfs/dbraw/zinc/03/68/61/976036861.db2.gz RHXMJNUNCWNNQC-UHFFFAOYSA-N 2 0 216.288 1.516 20 0 BDADRP Cc1cc(N)nc(NC[C@@H](C)C[NH+]2CCCC2)[nH+]1 ZINC001335418413 977038784 /nfs/dbraw/zinc/03/87/84/977038784.db2.gz UOAUYTVJSPLZAY-SNVBAGLBSA-N 2 0 249.362 1.511 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)CCC(C)C)C1 ZINC001335935885 977374964 /nfs/dbraw/zinc/37/49/64/977374964.db2.gz YPFVPZVVYZAFSN-ZIAGYGMSSA-N 2 0 242.407 1.715 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)CCC(C)C)C1 ZINC001335935881 977374997 /nfs/dbraw/zinc/37/49/97/977374997.db2.gz YPFVPZVVYZAFSN-KGLIPLIRSA-N 2 0 242.407 1.715 20 0 BDADRP CC[NH+](CC)CCCC[NH2+][C@H](C)[C@@H](C)O ZINC001335943998 977378515 /nfs/dbraw/zinc/37/85/15/977378515.db2.gz ZYRRALGZKFJOFF-VXGBXAGGSA-N 2 0 216.369 1.467 20 0 BDADRP C[NH2+][C@@H](C)CCN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC001336264045 977606452 /nfs/dbraw/zinc/60/64/52/977606452.db2.gz XHVDUYAWKYOXSK-NWDGAFQWSA-N 2 0 227.396 1.352 20 0 BDADRP c1cc(NC2CC[NH+]([C@@H]3CCOC3)CC2)cc[nH+]1 ZINC001336391404 977656454 /nfs/dbraw/zinc/65/64/54/977656454.db2.gz KLCBEBPDAPXKRT-CQSZACIVSA-N 2 0 247.342 1.169 20 0 BDADRP C[N@@H+]1CCC2(C1)CC[NH+](CCn1ccnc1)CC2 ZINC001277544704 977661874 /nfs/dbraw/zinc/66/18/74/977661874.db2.gz OLRNXXMXAMKCNF-UHFFFAOYSA-N 2 0 248.374 1.301 20 0 BDADRP CC(C)C[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH3+] ZINC001336660491 977835921 /nfs/dbraw/zinc/83/59/21/977835921.db2.gz QNXZBDSDMMUQEW-CYBMUJFWSA-N 2 0 249.358 1.135 20 0 BDADRP CCN(CC[NH+](C)C)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232012197 977838872 /nfs/dbraw/zinc/83/88/72/977838872.db2.gz VNFRDMAABYEIBA-UHFFFAOYSA-N 2 0 246.358 1.946 20 0 BDADRP c1c[nH+]c(Nc2cc[nH+]c(N3CCOCC3)c2)[nH]1 ZINC001176081940 977875795 /nfs/dbraw/zinc/87/57/95/977875795.db2.gz LKCJQFFJROALAN-UHFFFAOYSA-N 2 0 245.286 1.385 20 0 BDADRP c1c[nH+]c(Nc2c[nH+]ccc2N2CCOCC2)[nH]1 ZINC001176082688 977882513 /nfs/dbraw/zinc/88/25/13/977882513.db2.gz RVRMEMOPMTYPLP-UHFFFAOYSA-N 2 0 245.286 1.385 20 0 BDADRP C[C@H]([C@H](C)O)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001176281683 978007401 /nfs/dbraw/zinc/00/74/01/978007401.db2.gz ONYITLPOOFENAP-UPJWGTAASA-N 2 0 249.358 1.361 20 0 BDADRP Cc1cc(N)nc(N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)[nH+]1 ZINC001336870255 978014201 /nfs/dbraw/zinc/01/42/01/978014201.db2.gz FLBKLBGDURLLGI-OUAUKWLOSA-N 2 0 247.346 1.119 20 0 BDADRP C[C@H]([NH3+])CN1Cc2ccccc2N2CCC[C@@H]2C1 ZINC001336944548 978072803 /nfs/dbraw/zinc/07/28/03/978072803.db2.gz DJYVIQCHBWMRAF-GXTWGEPZSA-N 2 0 245.370 1.818 20 0 BDADRP C[C@H]1C[NH2+]CCN(Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC001206277290 978122441 /nfs/dbraw/zinc/12/24/41/978122441.db2.gz QSZPMMOJAWTIHS-LBPRGKRZSA-N 2 0 245.370 1.331 20 0 BDADRP Nc1c[nH+]cn1-c1cccnc1N1CCCC1 ZINC001176750455 978168928 /nfs/dbraw/zinc/16/89/28/978168928.db2.gz TXKZLVDRHLDROW-UHFFFAOYSA-N 2 0 229.287 1.450 20 0 BDADRP Cc1cc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)[nH]n1 ZINC001206292447 978283621 /nfs/dbraw/zinc/28/36/21/978283621.db2.gz AXKZNCGRFYNHFI-CYBMUJFWSA-N 2 0 236.363 1.669 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](OCCC[NH+](C)C)C1 ZINC001206296079 978299014 /nfs/dbraw/zinc/29/90/14/978299014.db2.gz JWGOUOFEQOXBAC-GFCCVEGCSA-N 2 0 214.353 1.437 20 0 BDADRP [NH3+]C1CC([NH2+]CCc2ccc(F)cc2F)C1 ZINC001337887503 978550648 /nfs/dbraw/zinc/55/06/48/978550648.db2.gz YQSMLHXLIQHBDT-UHFFFAOYSA-N 2 0 226.270 1.587 20 0 BDADRP NC[C@@]1(F)CCCC[N@H+](C[C@@H]2CCCOC2)C1 ZINC001206337321 978602226 /nfs/dbraw/zinc/60/22/26/978602226.db2.gz SYGFTWYRBFFCPC-STQMWFEESA-N 2 0 244.354 1.566 20 0 BDADRP Cc1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)nn1 ZINC001178916950 978644371 /nfs/dbraw/zinc/64/43/71/978644371.db2.gz RXKUKXCQFYEIBA-CYBMUJFWSA-N 2 0 248.374 1.607 20 0 BDADRP CC[C@H]1C[C@@H]([NH2+]CCCC[NH3+])CCO1 ZINC000069863246 978765320 /nfs/dbraw/zinc/76/53/20/978765320.db2.gz BUKZSAQFYVCFJN-QWRGUYRKSA-N 2 0 200.326 1.273 20 0 BDADRP CC[C@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C)C2)CCO1 ZINC000069863044 978766437 /nfs/dbraw/zinc/76/64/37/978766437.db2.gz FTXWAEUYJYVBPD-XQQFMLRXSA-N 2 0 226.364 1.485 20 0 BDADRP [NH3+][C@@H]1C[C@@H](F)CN(CCC[NH+]2CCCCC2)C1 ZINC001206404832 978774334 /nfs/dbraw/zinc/77/43/34/978774334.db2.gz NFEOXMZYCPJLQY-CHWSQXEVSA-N 2 0 243.370 1.234 20 0 BDADRP Cc1c[nH+]ccc1N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001339998983 978953190 /nfs/dbraw/zinc/95/31/90/978953190.db2.gz LIJKREZLQKCEKQ-SGMGOOAPSA-N 2 0 231.343 1.564 20 0 BDADRP CCC[C@H](C)C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235052936 978963098 /nfs/dbraw/zinc/96/30/98/978963098.db2.gz GXWNHYMCXGNJIR-STQMWFEESA-N 2 0 225.380 1.060 20 0 BDADRP CC(C)CCC[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235054509 978965510 /nfs/dbraw/zinc/96/55/10/978965510.db2.gz NFYUAZGQIAQQCH-ZDUSSCGKSA-N 2 0 225.380 1.060 20 0 BDADRP [NH3+][C@H]1C[C@H](F)CN(Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001206437477 978969538 /nfs/dbraw/zinc/96/95/38/978969538.db2.gz WCUARTLVPUKJIW-QWRGUYRKSA-N 2 0 248.305 1.434 20 0 BDADRP C[N@@H+]1CCC[C@@]2(CCC[NH+](C3CC3)C2)C1 ZINC001277921912 978974556 /nfs/dbraw/zinc/97/45/56/978974556.db2.gz HSWYHXIWWUEMQY-CYBMUJFWSA-N 2 0 208.349 1.957 20 0 BDADRP OCCCCC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC001235105737 978975468 /nfs/dbraw/zinc/97/54/68/978975468.db2.gz VYWZVAWGLGSAQE-UHFFFAOYSA-N 2 0 226.364 1.225 20 0 BDADRP C([C@H]1CCCC[NH2+]1)N1CCCC[C@@]12CC[NH2+]C2 ZINC001235126561 978982345 /nfs/dbraw/zinc/98/23/45/978982345.db2.gz UFQRLVJSNCCKLY-KGLIPLIRSA-N 2 0 237.391 1.347 20 0 BDADRP OCCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235422219 979043654 /nfs/dbraw/zinc/04/36/54/979043654.db2.gz ADDZBJVROCPVJS-QWHCGFSZSA-N 2 0 226.364 1.080 20 0 BDADRP CN(CC1CC[NH2+]CC1)C[C@H]1CCCC[NH2+]1 ZINC001235433652 979046244 /nfs/dbraw/zinc/04/62/44/979046244.db2.gz RLTUFVNCHGWLRR-CYBMUJFWSA-N 2 0 225.380 1.060 20 0 BDADRP CO[C@H](C)C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC001181426738 979084181 /nfs/dbraw/zinc/08/41/81/979084181.db2.gz COHFQUYKBGOWFC-GFCCVEGCSA-N 2 0 228.380 1.733 20 0 BDADRP CO[C@H]1CCC[C@@H]2C[N@H+](CCCC[NH3+])C[C@@H]21 ZINC001235626281 979105832 /nfs/dbraw/zinc/10/58/32/979105832.db2.gz UISYESVRQFXCDT-AGIUHOORSA-N 2 0 226.364 1.472 20 0 BDADRP [NH3+]CCCC[NH+]1CCC(c2ccncc2)CC1 ZINC001235672384 979110900 /nfs/dbraw/zinc/11/09/00/979110900.db2.gz CDGNQDCPIMJCQY-UHFFFAOYSA-N 2 0 233.359 2.000 20 0 BDADRP C[NH2+]CC1CC[NH+](C[C@@H](N)c2ccccc2)CC1 ZINC001235678075 979116384 /nfs/dbraw/zinc/11/63/84/979116384.db2.gz IGWBCQLJTJGZTQ-OAHLLOKOSA-N 2 0 247.386 1.618 20 0 BDADRP C[C@@H]1CCC[N@H+](C[C@@H]2CNC(C)(C)O2)[C@H]1C ZINC001235695621 979125716 /nfs/dbraw/zinc/12/57/16/979125716.db2.gz XEHPZWFDADTZQN-WOPDTQHZSA-N 2 0 226.364 1.831 20 0 BDADRP CC[NH+]1CCC(C[N@H+](C)C[C@H](O)C2CC2)CC1 ZINC001181507174 979126771 /nfs/dbraw/zinc/12/67/71/979126771.db2.gz ZLEZIXKKKYRFAF-AWEZNQCLSA-N 2 0 240.391 1.421 20 0 BDADRP CN(CCC1CC[NH2+]CC1)C[C@H]1CCCC[NH2+]1 ZINC001235713817 979130104 /nfs/dbraw/zinc/13/01/04/979130104.db2.gz GKOUOCSYCSYZTP-CQSZACIVSA-N 2 0 239.407 1.450 20 0 BDADRP CC(C)[N@H+](C)CC(=O)Nc1cccc2c1C[NH2+]C2 ZINC001340882276 979137696 /nfs/dbraw/zinc/13/76/96/979137696.db2.gz SNZLQPAOOKZRHZ-UHFFFAOYSA-N 2 0 247.342 1.569 20 0 BDADRP CC1([NH3+])CCN(C[C@H]([NH3+])Cc2ccccc2)CC1 ZINC001235749980 979138551 /nfs/dbraw/zinc/13/85/51/979138551.db2.gz YFHBTPMTRTVRDL-CQSZACIVSA-N 2 0 247.386 1.370 20 0 BDADRP CC[C@H]1CN(Cc2cccc(C[NH3+])c2)CC[NH2+]1 ZINC001235731385 979138912 /nfs/dbraw/zinc/13/89/12/979138912.db2.gz VNRYAKOXZMGXRR-AWEZNQCLSA-N 2 0 233.359 1.329 20 0 BDADRP C[C@H]([NH3+])CN1CC[NH2+]C[C@@H]1c1ccccc1F ZINC001235743302 979139309 /nfs/dbraw/zinc/13/93/09/979139309.db2.gz NALBOFDHSUKASB-GXFFZTMASA-N 2 0 237.322 1.119 20 0 BDADRP CN(Cc1ccc2c(c1)CC[NH2+]C2)[C@@H]1CC[NH2+]C1 ZINC001235734526 979139317 /nfs/dbraw/zinc/13/93/17/979139317.db2.gz FGKRHKKHCFAMMF-OAHLLOKOSA-N 2 0 245.370 1.126 20 0 BDADRP CC[C@@H]([NH3+])CN1CC[NH2+]C[C@@H]1Cc1ccccc1 ZINC001235847842 979167086 /nfs/dbraw/zinc/16/70/86/979167086.db2.gz MOKRKDHOJIRRMQ-CABCVRRESA-N 2 0 247.386 1.240 20 0 BDADRP [NH3+]CCN(CC[NH3+])Cc1ccc(C2CCC2)cc1 ZINC001235880964 979178156 /nfs/dbraw/zinc/17/81/56/979178156.db2.gz SDYQFMPVJFOPJK-UHFFFAOYSA-N 2 0 247.386 1.674 20 0 BDADRP CSc1ccccc1CN(CC[NH3+])CC[NH3+] ZINC001235877387 979178368 /nfs/dbraw/zinc/17/83/68/979178368.db2.gz KCRBZAXHKAUPAF-UHFFFAOYSA-N 2 0 239.388 1.128 20 0 BDADRP Cc1ccc([C@H](C)CCN(CC[NH3+])CC[NH3+])o1 ZINC001235877128 979178397 /nfs/dbraw/zinc/17/83/97/979178397.db2.gz LBSBISDOOODJIL-LLVKDONJSA-N 2 0 239.363 1.301 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001340983780 979184945 /nfs/dbraw/zinc/18/49/45/979184945.db2.gz QYXRBQHOQZWWDQ-AWEZNQCLSA-N 2 0 247.342 1.746 20 0 BDADRP C[C@H]1CC[C@H]([NH3+])C[N@@H+]1CCC1CC[NH2+]CC1 ZINC001235892320 979185274 /nfs/dbraw/zinc/18/52/74/979185274.db2.gz PEYLVBHQGUNHCF-AAEUAGOBSA-N 3 0 225.380 1.188 20 0 BDADRP C(CN1CC2(C1)CCCC[NH2+]2)[C@@H]1CCCC[NH2+]1 ZINC001235924698 979206732 /nfs/dbraw/zinc/20/67/32/979206732.db2.gz XCJMGPCMNDLSOU-ZDUSSCGKSA-N 2 0 237.391 1.347 20 0 BDADRP CC(C)[N@H+](CCN)CC1CC2(C1)CC[NH2+]CC2 ZINC001235948523 979219880 /nfs/dbraw/zinc/21/98/80/979219880.db2.gz NTWPNYWRVYIEKZ-UHFFFAOYSA-N 2 0 239.407 1.435 20 0 BDADRP CCOCC1CC[NH+](CCCC[NH3+])CC1 ZINC001235960839 979228427 /nfs/dbraw/zinc/22/84/27/979228427.db2.gz RAUQSHBQJBSNPS-UHFFFAOYSA-N 2 0 214.353 1.474 20 0 BDADRP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1CCO ZINC001235973950 979242177 /nfs/dbraw/zinc/24/21/77/979242177.db2.gz QITPYDRMDQSLPL-STQMWFEESA-N 2 0 226.364 1.318 20 0 BDADRP [NH3+][C@]12CC[C@H]1C[N@H+](C[C@@H]1CC=CCC1)C2 ZINC001235981106 979258806 /nfs/dbraw/zinc/25/88/06/979258806.db2.gz UNNJOCKWFFSBOW-AGIUHOORSA-N 2 0 206.333 1.766 20 0 BDADRP [NH3+]Cc1cccc(CN2C[C@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235995621 979285091 /nfs/dbraw/zinc/28/50/91/979285091.db2.gz VLIWVMSRROSGCQ-ZIAGYGMSSA-N 2 0 231.343 1.068 20 0 BDADRP CCN(CCCCC[NH3+])[C@H]1CCC[NH2+]C1 ZINC001236007342 979298099 /nfs/dbraw/zinc/29/80/99/979298099.db2.gz YECUCXGSLNPHPY-LBPRGKRZSA-N 2 0 213.369 1.189 20 0 BDADRP C[C@H]1C[C@H]([NH3+])CN(Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC001236053328 979343877 /nfs/dbraw/zinc/34/38/77/979343877.db2.gz YOXCDLSKYPRRLF-NHYWBVRUSA-N 2 0 245.370 1.459 20 0 BDADRP CCOC(=O)[C@]1(C)CCC[N@H+](CCCC[NH3+])C1 ZINC001236071224 979356214 /nfs/dbraw/zinc/35/62/14/979356214.db2.gz GMMVAINQRZXUGL-CYBMUJFWSA-N 2 0 242.363 1.391 20 0 BDADRP c1cc(CN(C2CC2)C2C[NH2+]C2)cc2c1C[NH2+]C2 ZINC001236064291 979356752 /nfs/dbraw/zinc/35/67/52/979356752.db2.gz PSNKAPRXZZMBPB-UHFFFAOYSA-N 2 0 243.354 1.226 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)NCC[C@@H]([NH3+])C(C)C ZINC001341402999 979375418 /nfs/dbraw/zinc/37/54/18/979375418.db2.gz SCLLVUXLDVTVLC-NWDGAFQWSA-N 2 0 243.395 1.240 20 0 BDADRP C[C@H]1CN(Cc2cccc(C[NH3+])c2)CCC[NH2+]1 ZINC001236101676 979387967 /nfs/dbraw/zinc/38/79/67/979387967.db2.gz ZFWXTMJUCVVCMA-LBPRGKRZSA-N 3 0 233.359 1.329 20 0 BDADRP C[C@H]1CN(CC2(C)CC[NH2+]CC2)CCC[NH2+]1 ZINC001236098174 979388640 /nfs/dbraw/zinc/38/86/40/979388640.db2.gz PBXCIYJXUFOGDA-LBPRGKRZSA-N 2 0 225.380 1.060 20 0 BDADRP CCC[C@@H]1CNCC[N@@H+]1CCCCC[NH3+] ZINC001236131617 979405796 /nfs/dbraw/zinc/40/57/96/979405796.db2.gz DKFNZQSRINIYOY-GFCCVEGCSA-N 2 0 213.369 1.189 20 0 BDADRP CCCC[C@H]1CN(C[C@@H]([NH3+])CC)CC[NH2+]1 ZINC001236141488 979408180 /nfs/dbraw/zinc/40/81/80/979408180.db2.gz ZRRNLIGTOLUFKZ-RYUDHWBXSA-N 2 0 213.369 1.188 20 0 BDADRP C[N@H+](CCCC[NH3+])Cc1c(F)ccc(N)c1F ZINC001236141591 979408303 /nfs/dbraw/zinc/40/83/03/979408303.db2.gz KTGFYZUGSOKBDF-UHFFFAOYSA-N 2 0 243.301 1.718 20 0 BDADRP CC1(C)C[NH2+]C[C@H]1NC(=O)CCCCCC[NH3+] ZINC001341466170 979416893 /nfs/dbraw/zinc/41/68/93/979416893.db2.gz NDRMVTMOFBVOEW-LLVKDONJSA-N 2 0 241.379 1.010 20 0 BDADRP C[NH+](C)CC1(CN2CC[C@@H]([NH3+])C2)CCCC1 ZINC001236169555 979427649 /nfs/dbraw/zinc/42/76/49/979427649.db2.gz JWGLFHBKZCJSAV-GFCCVEGCSA-N 2 0 225.380 1.141 20 0 BDADRP CC[C@@H]([NH2+]C)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC001341500768 979438458 /nfs/dbraw/zinc/43/84/58/979438458.db2.gz OBYIKAGWLQTJQI-LLVKDONJSA-N 2 0 243.395 1.031 20 0 BDADRP CN(C[C@H]1CCCC[NH2+]1)[C@]1(C)CCC[NH2+]C1 ZINC001236200603 979445066 /nfs/dbraw/zinc/44/50/66/979445066.db2.gz ILRQGLMUCGDZAT-CHWSQXEVSA-N 2 0 225.380 1.202 20 0 BDADRP CN(Cc1cccc(C[NH3+])c1)[C@@]1(C)CCC[NH2+]C1 ZINC001236209156 979450250 /nfs/dbraw/zinc/45/02/50/979450250.db2.gz YHNAPRXXUFCKDZ-HNNXBMFYSA-N 2 0 247.386 1.719 20 0 BDADRP C[N@H+](CC[C@@H]1CCCC[NH2+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236222058 979454532 /nfs/dbraw/zinc/45/45/32/979454532.db2.gz KQLZFLKKMLORON-IHRRRGAJSA-N 3 0 239.407 1.720 20 0 BDADRP C([C@@H]1CCCC[NH2+]1)N(C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001236236987 979457522 /nfs/dbraw/zinc/45/75/22/979457522.db2.gz NUBBLVDWNWFUFE-GXTWGEPZSA-N 2 0 237.391 1.345 20 0 BDADRP C[C@@H]([NH3+])CN(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236288126 979493358 /nfs/dbraw/zinc/49/33/58/979493358.db2.gz WJIVNUVNFXZCSX-CYBMUJFWSA-N 2 0 247.386 1.588 20 0 BDADRP CCC[NH+]1C[C@@H]2C[NH+](CCCCO)C[C@H]2C1 ZINC001236323229 979508973 /nfs/dbraw/zinc/50/89/73/979508973.db2.gz ZFMBKNCZTGYBKS-CHWSQXEVSA-N 2 0 226.364 1.033 20 0 BDADRP Cc1cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)ccn1 ZINC001236314704 979524322 /nfs/dbraw/zinc/52/43/22/979524322.db2.gz FQDMKFUIYRATLN-GASCZTMLSA-N 2 0 245.370 1.821 20 0 BDADRP Cn1cccc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236315032 979525162 /nfs/dbraw/zinc/52/51/62/979525162.db2.gz UZDRMECBIFHFET-BETUJISGSA-N 2 0 233.359 1.457 20 0 BDADRP Cc1c(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cnn1C ZINC001236317151 979528084 /nfs/dbraw/zinc/52/80/84/979528084.db2.gz UJGLEXDMABPVSJ-BETUJISGSA-N 2 0 248.374 1.160 20 0 BDADRP Cc1ncoc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320658 979531870 /nfs/dbraw/zinc/53/18/70/979531870.db2.gz SUOBDEDTIKDWBY-TXEJJXNPSA-N 2 0 235.331 1.414 20 0 BDADRP CC/C=C\CCCCC[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206512912 979534168 /nfs/dbraw/zinc/53/41/68/979534168.db2.gz VYKBKDVGXDVYPI-NMEQGOOXSA-N 2 0 240.391 1.764 20 0 BDADRP CCC[N@H+](CCCCCO)CCC[NH+](C)C ZINC001236322975 979535389 /nfs/dbraw/zinc/53/53/89/979535389.db2.gz WGCATWBPIVNDPI-UHFFFAOYSA-N 2 0 230.396 1.813 20 0 BDADRP Nc1cccc2c1CC[N@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC001236354788 979549087 /nfs/dbraw/zinc/54/90/87/979549087.db2.gz LMKNBSKQSCIVPG-GFCCVEGCSA-N 2 0 245.370 1.627 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCCN1C[C@@H]([NH3+])c1ccccc1 ZINC001236413556 979586068 /nfs/dbraw/zinc/58/60/68/979586068.db2.gz GJDQROWRCXUCSZ-MRVWCRGKSA-N 2 0 233.359 1.498 20 0 BDADRP C[C@H]1C[NH+](CC[C@@H]2CCC[NH2+]C2)C[C@H](C)N1 ZINC001236422961 979591723 /nfs/dbraw/zinc/59/17/23/979591723.db2.gz KKZZKZYJTKNWOP-AVGNSLFASA-N 2 0 225.380 1.058 20 0 BDADRP CC(C)N(CCCC[NH3+])[C@@H]1CCC[NH2+]C1 ZINC001236468926 979605152 /nfs/dbraw/zinc/60/51/52/979605152.db2.gz OCKXSCLCUCDHGI-GFCCVEGCSA-N 2 0 213.369 1.188 20 0 BDADRP C[NH2+]CCCN(CC(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236472665 979602730 /nfs/dbraw/zinc/60/27/30/979602730.db2.gz BEBNJJQIDHKJGF-CYBMUJFWSA-N 2 0 227.396 1.306 20 0 BDADRP C[C@@H]1CN(Cc2cccc(C[NH3+])c2)C[C@@H](C)[NH2+]1 ZINC001236577823 979651281 /nfs/dbraw/zinc/65/12/81/979651281.db2.gz AVZDKRSMKYZYGF-VXGBXAGGSA-N 2 0 233.359 1.328 20 0 BDADRP C([C@H]1CCC[NH2+]1)N(C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236584487 979665728 /nfs/dbraw/zinc/66/57/28/979665728.db2.gz FRGBMIUSPJAPCK-QWHCGFSZSA-N 2 0 237.391 1.202 20 0 BDADRP CC[NH2+][C@H](C)CN(C)C(=O)CCCC[NH+](C)C ZINC001277995297 979688661 /nfs/dbraw/zinc/68/86/61/979688661.db2.gz OTFKOIRTRHTLKH-GFCCVEGCSA-N 2 0 243.395 1.175 20 0 BDADRP C[C@H]([NH3+])C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC001342259336 979740153 /nfs/dbraw/zinc/74/01/53/979740153.db2.gz LXBKUZCIQHHWSW-QMMMGPOBSA-N 2 0 221.304 1.166 20 0 BDADRP C[C@H]([NH3+])CN(C)Cc1ccc(N)c(F)c1 ZINC001236908531 979791176 /nfs/dbraw/zinc/79/11/76/979791176.db2.gz JVNZCDGFLMZKIU-QMMMGPOBSA-N 2 0 211.284 1.187 20 0 BDADRP C1=C2[NH2+]CCN(C[C@@H]3CCC[NH2+]3)[C@H]2CCC1 ZINC001237217670 979847794 /nfs/dbraw/zinc/84/77/94/979847794.db2.gz CESJVXOCPSMRIF-AAEUAGOBSA-N 2 0 221.348 1.080 20 0 BDADRP CC[NH+]1C[C@@H]2C[NH+](Cc3cccc(N)c3)C[C@H]2C1 ZINC001237222697 979853599 /nfs/dbraw/zinc/85/35/99/979853599.db2.gz GPYCOTXFIDALNM-ZIAGYGMSSA-N 2 0 245.370 1.652 20 0 BDADRP C1=CO[C@H](C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)CC1 ZINC001237379376 979877504 /nfs/dbraw/zinc/87/75/04/979877504.db2.gz BBTDXYFEZQFWMF-HZSPNIEDSA-N 2 0 236.359 1.753 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)N1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237375347 979879591 /nfs/dbraw/zinc/87/95/91/979879591.db2.gz MANRXXKOTBVZSZ-RDBSUJKOSA-N 2 0 237.391 1.060 20 0 BDADRP Nc1cc[nH+]cc1CN1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237384749 979880760 /nfs/dbraw/zinc/88/07/60/979880760.db2.gz XWRJBPIAJROFMJ-FZMZJTMJSA-N 2 0 246.358 1.068 20 0 BDADRP [NH3+][C@H](CCC(=O)NCC1([NH3+])CC1)c1ccccc1 ZINC001342814843 979905444 /nfs/dbraw/zinc/90/54/44/979905444.db2.gz LFFWXRSWFJNOLQ-GFCCVEGCSA-N 2 0 247.342 1.074 20 0 BDADRP [NH3+][C@H](CCC(=O)N[C@@H]1C[C@@H]([NH3+])C1)c1ccccc1 ZINC001342842872 979912890 /nfs/dbraw/zinc/91/28/90/979912890.db2.gz LRICGPLRWZJXDW-JHJVBQTASA-N 2 0 247.342 1.073 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CC(C(F)F)C3)[C@H]2C1 ZINC001184389161 980063728 /nfs/dbraw/zinc/06/37/28/980063728.db2.gz VIHOCNCPJBEKFK-RFAQPDLFSA-N 2 0 244.329 1.960 20 0 BDADRP C[NH+](C)CCc1ccc(N2CC[NH2+]CC2)cc1 ZINC001250159961 980114595 /nfs/dbraw/zinc/11/45/95/980114595.db2.gz UKMMLSUWKMIYGL-UHFFFAOYSA-N 2 0 233.359 1.200 20 0 BDADRP CC[C@H]([NH2+]C)C(=O)N[C@@H](C)CC[NH+](CC)CC ZINC001343500445 980131947 /nfs/dbraw/zinc/13/19/47/980131947.db2.gz IYDWYWMSQNYKRE-RYUDHWBXSA-N 2 0 243.395 1.221 20 0 BDADRP C[C@H]1CC[N@H+](Cc2cccc(C[NH3+])c2)C[C@@H]1C[NH3+] ZINC001205317988 980152481 /nfs/dbraw/zinc/15/24/81/980152481.db2.gz RKMOUOKOQSJBOR-WFASDCNBSA-N 3 0 247.386 1.562 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+](CCCn1cccc1)CC2 ZINC001278189989 980160163 /nfs/dbraw/zinc/16/01/63/980160163.db2.gz YRABPBGIQDEUCB-UHFFFAOYSA-N 2 0 247.386 1.906 20 0 BDADRP C([C@H]1CC2CCC1CC2)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000691658327 980382114 /nfs/dbraw/zinc/38/21/14/980382114.db2.gz WEVHNQCTLBRKID-ODGNXRKOSA-N 2 0 234.387 1.964 20 0 BDADRP [NH3+]CCc1ccccc1C1=CCC[NH2+]CC1 ZINC001238947242 980387283 /nfs/dbraw/zinc/38/72/83/980387283.db2.gz MDXZWORPCOEPGP-UHFFFAOYSA-N 2 0 216.328 1.955 20 0 BDADRP COc1ccc2c(c1)C1(C[C@H]2[NH3+])CC[NH2+]CC1 ZINC001239320089 980531419 /nfs/dbraw/zinc/53/14/19/980531419.db2.gz XZXNSKAUJFEFHF-CYBMUJFWSA-N 2 0 232.327 1.720 20 0 BDADRP C[NH+]1CCC(CC[NH2+]C[C@H](O)C2CC2)CC1 ZINC001345607421 980645468 /nfs/dbraw/zinc/64/54/68/980645468.db2.gz XVBYQYBSIAZMCQ-ZDUSSCGKSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@H](c1nc([C@H]2CCC[NH2+]2)no1)n1ccnc1 ZINC001345930262 980710371 /nfs/dbraw/zinc/71/03/71/980710371.db2.gz HNJWDNHWQCOUGK-RKDXNWHRSA-N 2 0 233.275 1.300 20 0 BDADRP [NH3+]C[C@]1(F)CCC[N@H+](C[C@H]2CCC[NH2+]C2)CC1 ZINC001205537921 980909291 /nfs/dbraw/zinc/90/92/91/980909291.db2.gz KPNXBFXHZOUXLF-STQMWFEESA-N 3 0 243.370 1.139 20 0 BDADRP [NH3+]Cc1cncc(-c2ccc3c(n2)C[NH2+]CC3)c1 ZINC001239792345 980932244 /nfs/dbraw/zinc/93/22/44/980932244.db2.gz WIOUDWNPVYPIFF-UHFFFAOYSA-N 2 0 240.310 1.248 20 0 BDADRP [NH3+]Cc1cccc(-c2cncc(C[NH3+])c2)c1 ZINC001239797298 980935455 /nfs/dbraw/zinc/93/54/55/980935455.db2.gz OGTFIUYMAPUEKB-UHFFFAOYSA-N 2 0 213.284 1.666 20 0 BDADRP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)[C@@H](C)O)C1 ZINC001191257055 981003318 /nfs/dbraw/zinc/00/33/18/981003318.db2.gz IPJLDPNEALYHEZ-UPJWGTAASA-N 2 0 228.380 1.419 20 0 BDADRP COC(=O)[C@H](C)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205602373 981162897 /nfs/dbraw/zinc/16/28/97/981162897.db2.gz IHJMNTQNUSTDCF-QJPTWQEYSA-N 2 0 242.363 1.102 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2cncn2C)CC[C@H]1C[NH3+] ZINC001205602746 981168991 /nfs/dbraw/zinc/16/89/91/981168991.db2.gz MAWCNLWGTBZDQY-NEPJUHHUSA-N 2 0 236.363 1.227 20 0 BDADRP C[C@H]1CC[N@H+](Cc2cccnc2)CC[C@H]1C[NH3+] ZINC001205604823 981180982 /nfs/dbraw/zinc/18/09/82/981180982.db2.gz XVNUKWPSMGXEBD-JSGCOSHPSA-N 2 0 233.359 1.888 20 0 BDADRP CC[NH+](CC)CC[C@H](C)NC(=O)[C@H](C)[NH+](C)C ZINC001348328328 981337443 /nfs/dbraw/zinc/33/74/43/981337443.db2.gz JLJFQBHQUMJIBE-RYUDHWBXSA-N 2 0 243.395 1.173 20 0 BDADRP CC(C)(C)[NH2+]CCN1CC[C@H]2OCCC[C@@H]2C1 ZINC001348511807 981379247 /nfs/dbraw/zinc/37/92/47/981379247.db2.gz WLHHTQYWRLXRME-CHWSQXEVSA-N 2 0 240.391 1.875 20 0 BDADRP Nc1[nH+]ccn1-c1cccc(C2=CC[NH2+]CC2)c1 ZINC001240469564 981405999 /nfs/dbraw/zinc/40/59/99/981405999.db2.gz CMBNAJJYNZZKQU-UHFFFAOYSA-N 2 0 240.310 1.831 20 0 BDADRP Nc1[nH+]ccn1-c1ccc(C2=CC[NH2+]CC2)cc1 ZINC001240470880 981408435 /nfs/dbraw/zinc/40/84/35/981408435.db2.gz RQUQHFGBZHRKKB-UHFFFAOYSA-N 2 0 240.310 1.831 20 0 BDADRP [NH3+][C@H]1C[C@H](C[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC001348903532 981473498 /nfs/dbraw/zinc/47/34/98/981473498.db2.gz TZGHZPKTWRQBGB-MGCOHNPYSA-N 2 0 247.333 1.043 20 0 BDADRP c1nc2c(cc1C1=CCC[NH2+]C1)C[NH2+]CC2 ZINC001240664287 981572901 /nfs/dbraw/zinc/57/29/01/981572901.db2.gz HEXQVWKFMFBQQN-UHFFFAOYSA-N 2 0 215.300 1.104 20 0 BDADRP O[C@H]1C[NH2+]CC[C@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC001580879765 981675984 /nfs/dbraw/zinc/67/59/84/981675984.db2.gz FBHHYIIDJCXKFL-XQLPTFJDSA-N 2 0 246.354 1.103 20 0 BDADRP OC[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)C1CCCCC1 ZINC001580881850 981679364 /nfs/dbraw/zinc/67/93/64/981679364.db2.gz LYAZHXCCSAZTDD-HRDQMINSSA-N 2 0 238.375 1.269 20 0 BDADRP c1ccc([C@H]2CC[N@H+]2CCN2CC[NH2+]CC2)cc1 ZINC001580892653 981722957 /nfs/dbraw/zinc/72/29/57/981722957.db2.gz AZNHFPXJRPPUDM-OAHLLOKOSA-N 2 0 245.370 1.339 20 0 BDADRP c1cn2c(n1)[C@@H]([NH2+]C[C@@H]1CCC[NH2+]CC1)CC2 ZINC001580896734 981733600 /nfs/dbraw/zinc/73/36/00/981733600.db2.gz PJWKXLHIZRRLBR-NEPJUHHUSA-N 2 0 234.347 1.307 20 0 BDADRP Cc1cccc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)c1 ZINC001205662938 981769049 /nfs/dbraw/zinc/76/90/49/981769049.db2.gz FZOWBJRQZDUROU-HNNXBMFYSA-N 2 0 248.370 1.671 20 0 BDADRP CC[C@H](C(=O)NCCC(C)(C)[NH3+])[NH+](CC)CC ZINC001349875997 981802017 /nfs/dbraw/zinc/80/20/17/981802017.db2.gz ZMULLBZFCOAYOR-LLVKDONJSA-N 2 0 243.395 1.350 20 0 BDADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H](C)CC[NH+](C)C ZINC001585149457 981907462 /nfs/dbraw/zinc/90/74/62/981907462.db2.gz FOAKLQZCCABEKS-VXGBXAGGSA-N 2 0 243.395 1.031 20 0 BDADRP OCc1c[nH+]ccc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001351950553 982413839 /nfs/dbraw/zinc/41/38/39/982413839.db2.gz PXIDVAWNEGGDQF-CHWSQXEVSA-N 2 0 247.342 1.035 20 0 BDADRP COCCOC[C@@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC001352010953 982434041 /nfs/dbraw/zinc/43/40/41/982434041.db2.gz DYIFLLFPOUSNCY-CYBMUJFWSA-N 2 0 244.379 1.113 20 0 BDADRP C[N@H+]1CC=C(c2cc(C[NH3+])ccn2)CC1 ZINC001241309024 982448336 /nfs/dbraw/zinc/44/83/36/982448336.db2.gz YJJOGSBNRDGLLJ-UHFFFAOYSA-N 2 0 203.289 1.259 20 0 BDADRP C[C@@H]1CC[C@H](C[NH3+])N(C[C@@H]([NH3+])c2ccccc2)C1 ZINC001205805047 982565661 /nfs/dbraw/zinc/56/56/61/982565661.db2.gz POFTWBNVGXWMKX-BPLDGKMQSA-N 2 0 247.386 1.746 20 0 BDADRP C[C@@H]1CC[C@@H](CN)[N@H+](CCC23CC([NH3+])(C2)C3)C1 ZINC001205806625 982570313 /nfs/dbraw/zinc/57/03/13/982570313.db2.gz UYTXXUXTTPSFPS-KBHBFKLGSA-N 2 0 237.391 1.317 20 0 BDADRP C[C@H]1CC[C@@H](C[NH3+])N(Cc2ccc(C[NH3+])cc2)C1 ZINC001205832112 982688649 /nfs/dbraw/zinc/68/86/49/982688649.db2.gz ZMRLZEYZEIPNSF-WFASDCNBSA-N 3 0 247.386 1.705 20 0 BDADRP Cc1cnc(C2=CCC[N@@H+](C)C2)c(C[NH3+])c1 ZINC001241567365 982811287 /nfs/dbraw/zinc/81/12/87/982811287.db2.gz YIRDLWDWQKFTFA-UHFFFAOYSA-N 2 0 217.316 1.568 20 0 BDADRP C[N@@H+]1CCC=C(c2ccc(C[NH3+])cc2)C1 ZINC001241568202 982813487 /nfs/dbraw/zinc/81/34/87/982813487.db2.gz DQYGWIJGIVVMPW-UHFFFAOYSA-N 2 0 202.301 1.864 20 0 BDADRP c1nn(C2C[NH2+]C2)cc1-c1cccc2c1C[NH2+]C2 ZINC001241612301 982850481 /nfs/dbraw/zinc/85/04/81/982850481.db2.gz SROAQFDWPNTXKZ-UHFFFAOYSA-N 2 0 240.310 1.298 20 0 BDADRP C[NH2+]C1CC(C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC001353612769 982919869 /nfs/dbraw/zinc/91/98/69/982919869.db2.gz GLBRGHSEYRPBRD-UHFFFAOYSA-N 2 0 233.315 1.082 20 0 BDADRP C[C@@H]1CN(c2cc[nH+]cc2)C[C@H](C)[N@H+]1C ZINC001354019562 983118071 /nfs/dbraw/zinc/11/80/71/983118071.db2.gz QYCRLJRDQJRWDY-PHIMTYICSA-N 2 0 205.305 1.610 20 0 BDADRP [NH3+]Cc1ccc(-c2ncc3c(n2)C[NH2+]CC3)cc1 ZINC001241911933 983127870 /nfs/dbraw/zinc/12/78/70/983127870.db2.gz ULLWISQKZCXPJV-UHFFFAOYSA-N 2 0 240.310 1.248 20 0 BDADRP Cc1cc(N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)nc(N)[nH+]1 ZINC001354132220 983168061 /nfs/dbraw/zinc/16/80/61/983168061.db2.gz VRMCGAPWQMBMJN-GZMMTYOYSA-N 2 0 247.346 1.262 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC001354235355 983213398 /nfs/dbraw/zinc/21/33/98/983213398.db2.gz JNMDURKUUYSYIF-UTUOFQBUSA-N 2 0 226.364 1.268 20 0 BDADRP C[NH+]1CCN(C2C[NH+](C[C@@H]3CC=CCC3)C2)CC1 ZINC001201428928 983229624 /nfs/dbraw/zinc/22/96/24/983229624.db2.gz SHQVGNMBDFNNPX-CQSZACIVSA-N 2 0 249.402 1.274 20 0 BDADRP CCC[C@@H](C)C[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001201538340 983294237 /nfs/dbraw/zinc/29/42/37/983294237.db2.gz FMCAERHETJVCPX-CQSZACIVSA-N 2 0 241.423 1.602 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)Nc1cc[nH+]c(N)n1 ZINC001354495185 983316258 /nfs/dbraw/zinc/31/62/58/983316258.db2.gz FVIGVCVJBGGQGG-SNVBAGLBSA-N 2 0 237.351 1.591 20 0 BDADRP CCC(CC)C[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001201521569 983320772 /nfs/dbraw/zinc/32/07/72/983320772.db2.gz UWRICAPNOCQTBL-UHFFFAOYSA-N 2 0 241.423 1.602 20 0 BDADRP CCCC[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001201710707 983418873 /nfs/dbraw/zinc/41/88/73/983418873.db2.gz OOHVPKKQYRMOFT-KGLIPLIRSA-N 2 0 239.407 1.497 20 0 BDADRP CSC[C@H](O)C[NH2+]CCC[N@H+](C)CC(C)C ZINC001356622614 983646577 /nfs/dbraw/zinc/64/65/77/983646577.db2.gz URNRCYWZZISBDD-GFCCVEGCSA-N 2 0 248.436 1.278 20 0 BDADRP CCCC[C@H](O)C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC001252106774 983651528 /nfs/dbraw/zinc/65/15/28/983651528.db2.gz BDHTXRHBWHAVGO-KBPBESRZSA-N 2 0 242.407 1.859 20 0 BDADRP CCCC[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC001252108194 983668215 /nfs/dbraw/zinc/66/82/15/983668215.db2.gz MPPXNWIMUIFBFT-CHWSQXEVSA-N 2 0 228.380 1.469 20 0 BDADRP C/C=C(\NC=[NH2+])c1ccnc(N2CC[NH2+]CC2)c1 ZINC001242393501 983678875 /nfs/dbraw/zinc/67/88/75/983678875.db2.gz PIUFZSCVEYBWCM-OIXVIMQBSA-N 2 0 245.330 1.049 20 0 BDADRP CC[C@@H](C)C[C@@H]([NH3+])C(=O)N1CCC(C)([NH3+])CC1 ZINC001357457355 983718291 /nfs/dbraw/zinc/71/82/91/983718291.db2.gz IBBOCEZJWVVHBS-GHMZBOCLSA-N 2 0 241.379 1.090 20 0 BDADRP CC[C@@H](C)C[C@@H]([NH3+])C(=O)Nc1ccc(C[NH3+])cc1 ZINC001357454412 983718604 /nfs/dbraw/zinc/71/86/04/983718604.db2.gz VJLNWFMMCDDQST-ZWNOBZJWSA-N 2 0 249.358 1.847 20 0 BDADRP CC(C)C[C@](C)(C[NH3+])C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC001357668785 983752283 /nfs/dbraw/zinc/75/22/83/983752283.db2.gz SRXMRMQCDBTBPP-GMXVVIOVSA-N 2 0 243.395 1.240 20 0 BDADRP CC[C@@H](C)C[C@@H]([NH3+])C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC001358005048 983812688 /nfs/dbraw/zinc/81/26/88/983812688.db2.gz UPBDZZKTECLAOT-DDHJBXDOSA-N 2 0 241.379 1.136 20 0 BDADRP CCC[C@H](O)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001252802736 983897432 /nfs/dbraw/zinc/89/74/32/983897432.db2.gz KUXNDSLVNTYUDD-FQUUOJAGSA-N 2 0 240.391 1.752 20 0 BDADRP Nc1cc[nH+]c(-c2ccc3c(c2)C[NH2+]C3)c1 ZINC001242672567 984037593 /nfs/dbraw/zinc/03/75/93/984037593.db2.gz YDANFCBZMCWABI-UHFFFAOYSA-N 2 0 211.268 1.934 20 0 BDADRP C(C1CC1)[NH+]1CCC(N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC001574794373 984112266 /nfs/dbraw/zinc/11/22/66/984112266.db2.gz DINACAOXCLUUNA-QLFBSQMISA-N 2 0 249.402 1.343 20 0 BDADRP C[C@@H](O)C[C@@H](C)[NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001576271293 984166759 /nfs/dbraw/zinc/16/67/59/984166759.db2.gz DOAZKCGTXYNURJ-DUJLVANISA-N 2 0 240.391 1.656 20 0 BDADRP C[C@H]1[C@@H](CO)CC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC001576572264 984174187 /nfs/dbraw/zinc/17/41/87/984174187.db2.gz KGPTUYOUYKMVOC-GXTWGEPZSA-N 2 0 240.391 1.469 20 0 BDADRP CC[C@H](C)CC[NH2+]CCC1([NH3+])CCOCC1 ZINC001576983631 984188368 /nfs/dbraw/zinc/18/83/68/984188368.db2.gz CKVGGWUTLJIHJZ-LBPRGKRZSA-N 2 0 228.380 1.910 20 0 BDADRP CCCC[C@H](C)[C@H](C)[NH2+][C@H]1COC2(C[NH2+]C2)C1 ZINC001577388315 984194949 /nfs/dbraw/zinc/19/49/49/984194949.db2.gz PEHZSLVEYMEDCM-RWMBFGLXSA-N 2 0 240.391 1.922 20 0 BDADRP CCCC[C@H](COC)[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC001577400926 984195891 /nfs/dbraw/zinc/19/58/91/984195891.db2.gz PJUPVGKDRPPULV-GMTAPVOTSA-N 2 0 200.326 1.271 20 0 BDADRP CC[C@H]1[NH2+]CC[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC001578241976 984209032 /nfs/dbraw/zinc/20/90/32/984209032.db2.gz VBXGIJUFEGBXMG-OLZOCXBDSA-N 3 0 225.380 1.058 20 0 BDADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H](C)C(C)(C)C1 ZINC001578622161 984215296 /nfs/dbraw/zinc/21/52/96/984215296.db2.gz PMBLOBKIJBYWDS-AAEUAGOBSA-N 2 0 228.380 1.325 20 0 BDADRP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CCC[C@H]1C[NH3+] ZINC001205985434 984318999 /nfs/dbraw/zinc/31/89/99/984318999.db2.gz YEZHZVVEQBTESC-OCCSQVGLSA-N 3 0 239.407 1.293 20 0 BDADRP C[C@H]1CC[C@H]([N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)C[NH2+]1 ZINC000718224007 984412335 /nfs/dbraw/zinc/41/23/35/984412335.db2.gz DIUKZJHPDOYRLD-QQKNPXLJSA-N 2 0 236.359 1.236 20 0 BDADRP COCC[N@@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001274981054 984430918 /nfs/dbraw/zinc/43/09/18/984430918.db2.gz XMUQTZJWUGFUCY-ZDUSSCGKSA-N 2 0 226.364 1.441 20 0 BDADRP [NH3+]CC1(C[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)CC1 ZINC001580243395 984472387 /nfs/dbraw/zinc/47/23/87/984472387.db2.gz FHDZRXUIGGBJMU-STQMWFEESA-N 2 0 238.375 1.112 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC(n3cccn3)CC2)C1 ZINC001580387767 984512190 /nfs/dbraw/zinc/51/21/90/984512190.db2.gz UPFHQWJEBSGMEL-QWHCGFSZSA-N 2 0 248.374 1.647 20 0 BDADRP C[NH+](C)Cc1ccccc1C1=CC[NH2+]C1 ZINC001243107632 984549681 /nfs/dbraw/zinc/54/96/81/984549681.db2.gz IBGBLOBHEKPEGE-UHFFFAOYSA-N 2 0 202.301 1.735 20 0 BDADRP c1cn(-c2ccc(C3=CC[NH2+]C3)cc2)cn1 ZINC001243109056 984559739 /nfs/dbraw/zinc/55/97/39/984559739.db2.gz JJNNNAIEYVNQGM-UHFFFAOYSA-N 2 0 211.268 1.859 20 0 BDADRP C[C@H](Cc1ccncc1)[NH2+]C[C@@H]1CC[N@H+](C)C1 ZINC001256719820 984576418 /nfs/dbraw/zinc/57/64/18/984576418.db2.gz UATANOAYWFCISI-OCCSQVGLSA-N 2 0 233.359 1.554 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N[C@@H](C)C1C[NH2+]C1 ZINC001577687896 984638347 /nfs/dbraw/zinc/63/83/47/984638347.db2.gz UZAQQMQNWUCZBT-RYUDHWBXSA-N 2 0 227.396 1.304 20 0 BDADRP CC[NH+](CC)CCCN(C1CC1)C1C[NH2+]C1 ZINC001577687680 984640240 /nfs/dbraw/zinc/64/02/40/984640240.db2.gz OYJXMIYGIVEDDT-UHFFFAOYSA-N 2 0 225.380 1.155 20 0 BDADRP CCN(CC[NH2+]Cc1cccc(C[NH3+])c1)C1CC1 ZINC001577725839 984672295 /nfs/dbraw/zinc/67/22/95/984672295.db2.gz QZVGEYLZJZTPNZ-UHFFFAOYSA-N 2 0 247.386 1.719 20 0 BDADRP CCN1CCC[C@H]([NH2+]CCC2(C[NH3+])CC2)C1 ZINC001577771557 984778020 /nfs/dbraw/zinc/77/80/20/984778020.db2.gz ZBLFOAXLMFKGJY-LBPRGKRZSA-N 2 0 225.380 1.189 20 0 BDADRP CC[NH2+]C1CCN(CCc2cncn2C)CC1 ZINC001577821191 984799243 /nfs/dbraw/zinc/79/92/43/984799243.db2.gz AVSPAHVQAASRFB-UHFFFAOYSA-N 2 0 236.363 1.037 20 0 BDADRP CC[NH2+]C1CCN(CCC[NH+](CC)CC)CC1 ZINC001577821423 984802242 /nfs/dbraw/zinc/80/22/42/984802242.db2.gz NSQXBBVYHWYHPF-UHFFFAOYSA-N 2 0 241.423 1.792 20 0 BDADRP CCOC(=O)[C@H](C)[C@H](C)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001577908613 984820206 /nfs/dbraw/zinc/82/02/06/984820206.db2.gz NEYZWUNABKUBLC-WHOHXGKFSA-N 2 0 242.363 1.304 20 0 BDADRP CCOC(=O)C[C@](C)([NH2+]C[C@H](C)[NH3+])C(C)C ZINC001577939317 984822988 /nfs/dbraw/zinc/82/29/88/984822988.db2.gz CVMOUDUGIYRXSP-JQWIXIFHSA-N 2 0 230.352 1.291 20 0 BDADRP Cc1nc[nH]c1C[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001276206257 984828626 /nfs/dbraw/zinc/82/86/26/984828626.db2.gz IOFHLVJIQAQROY-BETUJISGSA-N 2 0 248.374 1.492 20 0 BDADRP CCOC(=O)[C@H](C)[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC001578025397 984831878 /nfs/dbraw/zinc/83/18/78/984831878.db2.gz IDNGLWFVDYWZLR-NWDGAFQWSA-N 2 0 242.363 1.260 20 0 BDADRP CCOC(=O)c1ccc(C[NH2+][C@H](C)CC[NH3+])[nH]1 ZINC001578058898 984837403 /nfs/dbraw/zinc/83/74/03/984837403.db2.gz DRXVITXQHZLVPK-SECBINFHSA-N 2 0 239.319 1.018 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]([NH3+])C2)C12CCCC2 ZINC001578093079 984845207 /nfs/dbraw/zinc/84/52/07/984845207.db2.gz FIHDSEVWTGLEAT-ZDEQEGDKSA-N 2 0 238.375 1.804 20 0 BDADRP CCO[C@@H]1CCC[C@H]1[NH2+]C1CC(C[NH3+])C1 ZINC001578151507 984858837 /nfs/dbraw/zinc/85/88/37/984858837.db2.gz PDPXTGCSRWFZHY-KIDURHIOSA-N 2 0 212.337 1.271 20 0 BDADRP CCO[C@@]1(C)C[C@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC001578161683 984863657 /nfs/dbraw/zinc/86/36/57/984863657.db2.gz VPODMTYEUZXGNH-TUAOUCFPSA-N 2 0 212.337 1.286 20 0 BDADRP CC1CC(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000691886583 984891329 /nfs/dbraw/zinc/89/13/29/984891329.db2.gz RCBWUTUMEPEXQQ-HCWSGVFWSA-N 2 0 208.349 1.892 20 0 BDADRP C[NH+](C)CC(C)(C)CNC[C@@H]([NH3+])CC(F)F ZINC001578413429 985051498 /nfs/dbraw/zinc/05/14/98/985051498.db2.gz NYUDAEAEIHCXFN-VIFPVBQESA-N 2 0 237.338 1.146 20 0 BDADRP CN(CC(C)(C)C[NH+](C)C)C[C@@]12C[C@@H]1C[NH2+]C2 ZINC001578412870 985052702 /nfs/dbraw/zinc/05/27/02/985052702.db2.gz BGMMRFUUBADUQL-OCCSQVGLSA-N 2 0 239.407 1.116 20 0 BDADRP C[NH+](C)Cc1cccc(NC(=O)[C@H]2C[C@H]2[NH3+])c1 ZINC001578421443 985053261 /nfs/dbraw/zinc/05/32/61/985053261.db2.gz QOPZZOPUXKVDHN-NWDGAFQWSA-N 2 0 233.315 1.034 20 0 BDADRP C[N@H+](C[C@]1(C)CC[NH2+]C1)[C@@H]1CCCC[C@H]1O ZINC001578445668 985074725 /nfs/dbraw/zinc/07/47/25/985074725.db2.gz SCYAIONXHBTXQN-JHJVBQTASA-N 2 0 226.364 1.221 20 0 BDADRP C[N@H+](C[C@]1(C)CCCCO1)C1CC[NH2+]CC1 ZINC001578445163 985075001 /nfs/dbraw/zinc/07/50/01/985075001.db2.gz IELRJQLVWRJNSH-ZDUSSCGKSA-N 2 0 226.364 1.629 20 0 BDADRP C[N@H+](C[C@@H]1CCC[C@H]1O)CC1(C[NH3+])CCC1 ZINC001578451305 985082459 /nfs/dbraw/zinc/08/24/59/985082459.db2.gz GPMMKSHZSQPADT-NWDGAFQWSA-N 2 0 226.364 1.208 20 0 BDADRP C[N@H+](C[C@H]1CC[C@@H]([NH3+])C1)[C@@H]1CC(C)(C)OC1=O ZINC001578486378 985116651 /nfs/dbraw/zinc/11/66/51/985116651.db2.gz OMWLYXZRSZNBCG-HBNTYKKESA-N 2 0 240.347 1.140 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H](NCC3(C[NH3+])CCC3)[C@@H]2C1 ZINC001578521565 985140012 /nfs/dbraw/zinc/14/00/12/985140012.db2.gz XCMIMKYHJFBELL-XQQFMLRXSA-N 2 0 237.391 1.045 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CC[C@@H]3CC[C@@]32CN)CC1 ZINC001578524423 985148430 /nfs/dbraw/zinc/14/84/30/985148430.db2.gz WFJWDJPPZJODGG-UONOGXRCSA-N 2 0 237.391 1.141 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CN[C@H](C[NH3+])C1CCCCC1 ZINC001578530823 985166122 /nfs/dbraw/zinc/16/61/22/985166122.db2.gz SGOCKUDCRAZNRO-ZIAGYGMSSA-N 2 0 239.407 1.578 20 0 BDADRP C[NH2+]C[C@H](O)C[NH2+][C@@H](C)C1CCCCCC1 ZINC001578654268 985273429 /nfs/dbraw/zinc/27/34/29/985273429.db2.gz LQQPSQAXBGGZSE-AAEUAGOBSA-N 2 0 228.380 1.515 20 0 BDADRP C[NH2+]CCC[NH2+][C@H]1CCC[C@@H](SC)C1 ZINC001578691188 985279617 /nfs/dbraw/zinc/27/96/17/985279617.db2.gz MBKPPJYNMALGFY-WDEREUQCSA-N 2 0 216.394 1.860 20 0 BDADRP C[NH2+]CC[C@H]1CCCC[N@@H+]1C[C@@H](O)C1CC1 ZINC001578677145 985289048 /nfs/dbraw/zinc/28/90/48/985289048.db2.gz XEBWEQRIOIMSFT-CHWSQXEVSA-N 2 0 226.364 1.221 20 0 BDADRP COC(=O)CC(C)(C)[N@H+](C)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578803247 985375596 /nfs/dbraw/zinc/37/55/96/985375596.db2.gz YIPJWVQFOBXACC-WDEREUQCSA-N 2 0 242.363 1.387 20 0 BDADRP CCOC(=O)CCC[C@@H](C)[NH2+]CCCC[NH3+] ZINC001258106403 985419695 /nfs/dbraw/zinc/41/96/95/985419695.db2.gz ZMTSVMMOYFWHBJ-LLVKDONJSA-N 2 0 230.352 1.437 20 0 BDADRP CCOC(=O)CCC[C@H](C)[NH2+]CCCC[NH3+] ZINC001258106404 985419828 /nfs/dbraw/zinc/41/98/28/985419828.db2.gz ZMTSVMMOYFWHBJ-NSHDSACASA-N 2 0 230.352 1.437 20 0 BDADRP C[C@@H]1COC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000688003951 985469704 /nfs/dbraw/zinc/46/97/04/985469704.db2.gz AVEWWLGKHXSYJY-XYTAGDGMSA-N 2 0 224.348 1.236 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578897866 985474501 /nfs/dbraw/zinc/47/45/01/985474501.db2.gz ZJGGLTHFISDTGE-ZRUFSTJUSA-N 2 0 200.326 1.127 20 0 BDADRP C[C@@H]1COC[C@H]1[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000688022581 985490227 /nfs/dbraw/zinc/49/02/27/985490227.db2.gz FIUQOVGXWBNFOW-HZSPNIEDSA-N 2 0 240.391 1.875 20 0 BDADRP COC(=O)[C@H](C[NH3+])C[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC001258152808 985496991 /nfs/dbraw/zinc/49/69/91/985496991.db2.gz CBTDVBSOFSICNH-GMTAPVOTSA-N 2 0 242.363 1.149 20 0 BDADRP CO[C@H](C[NH2+]CC1(C[NH3+])CC1)CC(C)C ZINC001578912826 985517264 /nfs/dbraw/zinc/51/72/64/985517264.db2.gz NIVVLNKNYDPBBB-NSHDSACASA-N 2 0 214.353 1.376 20 0 BDADRP C[C@H]1COC[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000688047459 985521920 /nfs/dbraw/zinc/52/19/20/985521920.db2.gz ZWTZTLIKUWCPOE-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H]1COC[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000688047454 985522307 /nfs/dbraw/zinc/52/23/07/985522307.db2.gz ZWTZTLIKUWCPOE-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP COC1(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)CCC1 ZINC001578926871 985525666 /nfs/dbraw/zinc/52/56/66/985525666.db2.gz PCUZEAIJQKQMGW-WCQYABFASA-N 2 0 224.348 1.369 20 0 BDADRP COC1(CC[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)CCC1 ZINC001578927367 985530928 /nfs/dbraw/zinc/53/09/28/985530928.db2.gz WLGKMBLFPBHXOW-JSGCOSHPSA-N 2 0 238.375 1.759 20 0 BDADRP COC1(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)CCC1 ZINC001578927373 985531394 /nfs/dbraw/zinc/53/13/94/985531394.db2.gz WMBRPUHZOMDELX-NEPJUHHUSA-N 2 0 224.348 1.097 20 0 BDADRP COC1(C[NH2+]C2CC3(C[C@H]3[NH3+])C2)CCC1 ZINC001578930887 985532940 /nfs/dbraw/zinc/53/29/40/985532940.db2.gz ZXZMGPIJIBSMBM-HSOILSAZSA-N 2 0 210.321 1.025 20 0 BDADRP COC[C@@H](CC(C)C)[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578960273 985580746 /nfs/dbraw/zinc/58/07/46/985580746.db2.gz CCNTZGULYVVNNX-YNEHKIRRSA-N 2 0 228.380 1.765 20 0 BDADRP COCC1(C)CC[NH+](CC2(C[NH3+])CCC2)CC1 ZINC001578979555 985604313 /nfs/dbraw/zinc/60/43/13/985604313.db2.gz HZFBZQILVAAFNI-UHFFFAOYSA-N 2 0 240.391 1.864 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+]CC(C)(C)SC ZINC001579001773 985654887 /nfs/dbraw/zinc/65/48/87/985654887.db2.gz LSFONYNCLXIDAP-VIFPVBQESA-N 2 0 220.382 1.081 20 0 BDADRP COCC[C@@H]([NH3+])C[NH2+]C1CCC(COC)CC1 ZINC001579002873 985658971 /nfs/dbraw/zinc/65/89/71/985658971.db2.gz URGRWVDNCSDDGL-OTTFEQOBSA-N 2 0 244.379 1.145 20 0 BDADRP CO[C@H]1C[C@@H]([N@H+](C)C[C@@H](C[NH3+])C(C)C)C1 ZINC001579133777 985811988 /nfs/dbraw/zinc/81/19/88/985811988.db2.gz XVWMIHUAQOTHQK-UTUOFQBUSA-N 2 0 214.353 1.327 20 0 BDADRP C[N@@H+]1CC[C@]2(CCN(CC[NH+]3CCCC3)C2)C1 ZINC000795335580 985821473 /nfs/dbraw/zinc/82/14/73/985821473.db2.gz QJMKJQWYNKHWOI-AWEZNQCLSA-N 2 0 237.391 1.110 20 0 BDADRP CSCC[N@@H+]1C[C@@H]2CCCC[C@]2(C[NH3+])C1 ZINC001579374954 985866209 /nfs/dbraw/zinc/86/62/09/985866209.db2.gz ZVIXDOYDHIEZOT-RYUDHWBXSA-N 2 0 228.405 1.800 20 0 BDADRP CSCC[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001460600732 985867715 /nfs/dbraw/zinc/86/77/15/985867715.db2.gz BZCCPIHISFDQQA-MNOVXSKESA-N 2 0 214.378 1.233 20 0 BDADRP CS[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC001579384635 985868989 /nfs/dbraw/zinc/86/89/89/985868989.db2.gz GYPLDFAYIHMTBE-WRWGMCAJSA-N 2 0 228.405 1.988 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2C[C@H]2c2cnn(C)c2)C[C@H]1C[NH3+] ZINC001579440408 985929969 /nfs/dbraw/zinc/92/99/69/985929969.db2.gz AIHUUKHAFQVUIU-GFQSEFKGSA-N 2 0 248.374 1.050 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(c2ncco2)CC1 ZINC001579454596 985938504 /nfs/dbraw/zinc/93/85/04/985938504.db2.gz NHSYOURGTUDRDZ-YPMHNXCESA-N 2 0 249.358 1.710 20 0 BDADRP C[C@H]([NH2+]C[C@]1(O)CC[NH2+]C1)C1CCCCCC1 ZINC001579485878 986008259 /nfs/dbraw/zinc/00/82/59/986008259.db2.gz VTOWQSXDYMLDEQ-JSGCOSHPSA-N 2 0 240.391 1.659 20 0 BDADRP CC(C)C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001461179615 986023897 /nfs/dbraw/zinc/02/38/97/986023897.db2.gz MJNBMFWUHGMBOR-ZDUSSCGKSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@H]1[NH2+]CC[C@@H]1[NH2+]CC1CCSCC1 ZINC001579505307 986048258 /nfs/dbraw/zinc/04/82/58/986048258.db2.gz UXMXTVUJPISBDZ-KOLCDFICSA-N 2 0 214.378 1.470 20 0 BDADRP C[C@H]1[C@@H](O)CCC[N@@H+]1C[C@H]1CCCC[NH2+]C1 ZINC001579506158 986048363 /nfs/dbraw/zinc/04/83/63/986048363.db2.gz CVYBCHVAHNSZCQ-AVGNSLFASA-N 2 0 226.364 1.221 20 0 BDADRP Cc1c[nH]c(=O)c(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)c1 ZINC001579543844 986073175 /nfs/dbraw/zinc/07/31/75/986073175.db2.gz LHQBJGUYJKCNSY-JQWIXIFHSA-N 2 0 235.331 1.313 20 0 BDADRP Cc1c[nH]c(=O)c(C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC001579544254 986073545 /nfs/dbraw/zinc/07/35/45/986073545.db2.gz UFLXMGISGRBJJI-LBPRGKRZSA-N 2 0 235.331 1.327 20 0 BDADRP Cc1c[nH]c(=O)c(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c1 ZINC001579543845 986075874 /nfs/dbraw/zinc/07/58/74/986075874.db2.gz LHQBJGUYJKCNSY-PWSUYJOCSA-N 2 0 235.331 1.313 20 0 BDADRP Cc1cc(C)cc(CC[N@@H+](C)C[C@H](O)C[NH3+])c1 ZINC001579579629 986091036 /nfs/dbraw/zinc/09/10/36/986091036.db2.gz KFFDZQPXAUMPMC-CQSZACIVSA-N 2 0 236.359 1.097 20 0 BDADRP C[C@@H](O)C(C)(C)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC001461798290 986154212 /nfs/dbraw/zinc/15/42/12/986154212.db2.gz XASUOSBZGPVXPJ-NEPJUHHUSA-N 2 0 242.407 1.856 20 0 BDADRP Cc1ccc(CC[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC001579688429 986161920 /nfs/dbraw/zinc/16/19/20/986161920.db2.gz XIEBGTKQZIMQDT-WDNDVIMCSA-N 2 0 216.328 1.345 20 0 BDADRP Cc1ccc(C[C@H](C)[NH2+]C[C@]2(O)CC[NH2+]C2)cc1 ZINC001579684737 986172380 /nfs/dbraw/zinc/17/23/80/986172380.db2.gz QVSKFKBDVYEDMW-ZFWWWQNUSA-N 2 0 248.370 1.240 20 0 BDADRP Cc1ccncc1CC[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC001579814844 986236757 /nfs/dbraw/zinc/23/67/57/986236757.db2.gz PYHWQJPEYDJDRL-OLZOCXBDSA-N 2 0 233.359 1.648 20 0 BDADRP Cc1ccncc1CC[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC001579814843 986237182 /nfs/dbraw/zinc/23/71/82/986237182.db2.gz PYHWQJPEYDJDRL-CHWSQXEVSA-N 2 0 233.359 1.648 20 0 BDADRP Cc1conc1CN1C[C@@H]2CCCC[C@]2(C[NH3+])C1 ZINC001579830008 986256545 /nfs/dbraw/zinc/25/65/45/986256545.db2.gz MCIHNXRACKAPLB-JSGCOSHPSA-N 2 0 249.358 1.934 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CC[C@H]([C@@H](C)O)C2)CC1 ZINC001462002671 986260248 /nfs/dbraw/zinc/26/02/48/986260248.db2.gz PFTBOIVMLCPZHY-OCCSQVGLSA-N 2 0 240.391 1.421 20 0 BDADRP CC[N@H+]1C[C@@H]2C[NH+](CC3CCC3)C[C@@H]2C1 ZINC001202791574 986310329 /nfs/dbraw/zinc/31/03/29/986310329.db2.gz ACMBYFYFSUGTNP-BETUJISGSA-N 2 0 208.349 1.670 20 0 BDADRP C[NH+]1CCC2(C[NH+](C[C@@H](O)C(C)(C)C)C2)CC1 ZINC001253729517 986343375 /nfs/dbraw/zinc/34/33/75/986343375.db2.gz HAZCPMARXDSKTL-GFCCVEGCSA-N 2 0 240.391 1.421 20 0 BDADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@H]1CCC[NH2+]1 ZINC000394280332 986353806 /nfs/dbraw/zinc/35/38/06/986353806.db2.gz DVQKGRDZDUFVJN-MCIONIFRSA-N 2 0 237.391 1.297 20 0 BDADRP Cn1cc([C@@H]2C[C@H]2C[N@@H+]2CC[C@H](CC[NH3+])C2)cn1 ZINC001579970178 986375507 /nfs/dbraw/zinc/37/55/07/986375507.db2.gz QVTRGHHVESFCFT-SGMGOOAPSA-N 2 0 248.374 1.194 20 0 BDADRP Cn1cc([C@@H]2C[C@H]2C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC001579970140 986375675 /nfs/dbraw/zinc/37/56/75/986375675.db2.gz PLUHCDKSYGPOCJ-IGHBBLSQSA-N 2 0 248.374 1.383 20 0 BDADRP Fc1cnccc1C[NH2+]C[C@H]1CCC[NH2+]CC1 ZINC001580035323 986430337 /nfs/dbraw/zinc/43/03/37/986430337.db2.gz ZDMSZBCDPZWWGO-NSHDSACASA-N 2 0 237.322 1.700 20 0 BDADRP [NH3+]CCCCCCC[NH2+][C@H]1CCCOC1 ZINC001254368516 986598552 /nfs/dbraw/zinc/59/85/52/986598552.db2.gz QTZIQZWPKYDQHW-LBPRGKRZSA-N 2 0 214.353 1.664 20 0 BDADRP [NH3+][C@H]1CC12CC([NH2+]C[C@H]1COc3ccccc31)C2 ZINC001580165547 986634423 /nfs/dbraw/zinc/63/44/23/986634423.db2.gz MCIHXUPCDOOTQY-UZBKSZPOSA-N 2 0 244.338 1.632 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2O3)C12CCC2 ZINC001580163435 986637645 /nfs/dbraw/zinc/63/76/45/986637645.db2.gz AYOMFNWNVGDVMH-MTVMDMGHSA-N 2 0 222.332 1.166 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+]CC1CCC(O)CC1)C2 ZINC001580165889 986642404 /nfs/dbraw/zinc/64/24/04/986642404.db2.gz NONAKBCWAPWSAN-CRIDGIJHSA-N 2 0 224.348 1.007 20 0 BDADRP [NH3+]C1CC2(C1)CC([NH2+]Cc1ccc(=O)[nH]c1)C2 ZINC001580166126 986642400 /nfs/dbraw/zinc/64/24/00/986642400.db2.gz OEZMLHVYGSMBPZ-UHFFFAOYSA-N 2 0 233.315 1.147 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+][C@H]1CCO[C@@H](C3CC3)C1)C2 ZINC001580167037 986643770 /nfs/dbraw/zinc/64/37/70/986643770.db2.gz SPWIXZGGLAWODE-HVKWEHBZSA-N 2 0 236.359 1.413 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC[C@@H](O)C2CCCC2)C1 ZINC001580175139 986649540 /nfs/dbraw/zinc/64/95/40/986649540.db2.gz CGUQNBJDBQXHKZ-MGPQQGTHSA-N 2 0 240.391 1.787 20 0 BDADRP COC[C@@H]1CC[N@@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254517548 986652900 /nfs/dbraw/zinc/65/29/00/986652900.db2.gz VFQREGCBRDOVPO-CHWSQXEVSA-N 2 0 226.364 1.439 20 0 BDADRP C[NH+](C)C1CCN([C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254515989 986655953 /nfs/dbraw/zinc/65/59/53/986655953.db2.gz IHRDKAYNNPNJFK-CQSZACIVSA-N 2 0 239.407 1.497 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH+]2C[C@@H]3CCO[C@@H]3C2)CC1 ZINC001254525470 986661048 /nfs/dbraw/zinc/66/10/48/986661048.db2.gz JIRAMXCESJVBHF-YNEHKIRRSA-N 2 0 224.348 1.191 20 0 BDADRP [NH3+]C[C@]12C[N@H+](CC3(O)CCC3)C[C@H]1CCCC2 ZINC001580256240 986707703 /nfs/dbraw/zinc/70/77/03/986707703.db2.gz RUBJXMIZFPVOGP-CHWSQXEVSA-N 2 0 238.375 1.352 20 0 BDADRP [NH3+]C[C@]12C[N@H+](Cc3cn[nH]c3)C[C@H]1CCCC2 ZINC001580254494 986709741 /nfs/dbraw/zinc/70/97/41/986709741.db2.gz CZCCNACGBKZQAM-CHWSQXEVSA-N 2 0 234.347 1.361 20 0 BDADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]C[C@]23C[C@H]2CCC3)C1 ZINC001580258298 986714885 /nfs/dbraw/zinc/71/48/85/986714885.db2.gz MJETYLSNCGCCMX-LOWDOPEQSA-N 2 0 208.349 1.894 20 0 BDADRP [NH3+]CCC1CC([NH2+][C@@H]2C[C@H]2C(F)(F)F)C1 ZINC001580287680 986731944 /nfs/dbraw/zinc/73/19/44/986731944.db2.gz XVQBDKYWTGGUFK-GEPGNKONSA-N 2 0 222.254 1.654 20 0 BDADRP [NH3+]CCCCCCC[N@@H+]1CCn2nccc2C1 ZINC001580293020 986735589 /nfs/dbraw/zinc/73/55/89/986735589.db2.gz KELBHGCWPQZRLM-UHFFFAOYSA-N 2 0 236.363 1.608 20 0 BDADRP Cc1cncc(C[N@@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC000381995679 986743200 /nfs/dbraw/zinc/74/32/00/986743200.db2.gz IJPMVISKIZBZSC-ZDUSSCGKSA-N 2 0 219.332 1.703 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+][C@H]2C[C@@H]3COC[C@@H]32)cc1 ZINC001580339651 986781672 /nfs/dbraw/zinc/78/16/72/986781672.db2.gz SHFFZVDYBVMQTL-RDBSUJKOSA-N 2 0 232.327 1.270 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H](CO)C2CCCC2)C1 ZINC001580389893 986816416 /nfs/dbraw/zinc/81/64/16/986816416.db2.gz WEIFOBISIRFCEJ-CYZMBNFOSA-N 2 0 226.364 1.255 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc3[nH]cnc3c2)C1 ZINC001580423020 986841415 /nfs/dbraw/zinc/84/14/15/986841415.db2.gz MCTOVVMRLLXQTQ-AOOOYVTPSA-N 2 0 216.288 1.142 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+][C@@H]2CCc3cccnc3CC2)C1 ZINC001580423122 986842020 /nfs/dbraw/zinc/84/20/20/986842020.db2.gz PTAMOPHWWJEIPX-UPJWGTAASA-N 2 0 231.343 1.408 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]CC2CCSCC2)C1 ZINC001580429923 986848579 /nfs/dbraw/zinc/84/85/79/986848579.db2.gz BMIZPFUXOSGWLO-MGCOHNPYSA-N 2 0 200.351 1.209 20 0 BDADRP O=C(C[C@@H]1CC[NH2+]C1)Nc1ccc2c[nH+]cn2c1 ZINC001580565811 986913569 /nfs/dbraw/zinc/91/35/69/986913569.db2.gz YNXVRKXDAYUJJF-JTQLQIEISA-N 2 0 244.298 1.272 20 0 BDADRP C[C@@H](CC[NH+](C)C)C(=O)NC(C)(C)C[NH+](C)C ZINC001468727243 986932471 /nfs/dbraw/zinc/93/24/71/986932471.db2.gz YHEGEKGNAMPCCH-NSHDSACASA-N 2 0 243.395 1.031 20 0 BDADRP C[NH+](C)Cc1ccc(-c2ccncc2C[NH3+])nc1 ZINC001245556561 986942936 /nfs/dbraw/zinc/94/29/36/986942936.db2.gz AQPRYIZTFSBLDZ-UHFFFAOYSA-N 2 0 242.326 1.664 20 0 BDADRP C[NH2+]CCCN(C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206584306 986944774 /nfs/dbraw/zinc/94/47/74/986944774.db2.gz YDBCBIFALUFVRO-ZDUSSCGKSA-N 2 0 227.396 1.448 20 0 BDADRP CC(C)([NH3+])c1ccc(-c2cc(C[NH3+])ncn2)cc1 ZINC001245908704 987136724 /nfs/dbraw/zinc/13/67/24/987136724.db2.gz SWGQFESJXRFRAN-UHFFFAOYSA-N 2 0 242.326 1.796 20 0 BDADRP CCCCC[C@H](O)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC001245991871 987274342 /nfs/dbraw/zinc/27/43/42/987274342.db2.gz BIHRDXLMTROCET-XQQFMLRXSA-N 2 0 228.380 1.787 20 0 BDADRP CC[C@H]1C[N@H+](CC2CC[NH+](C)CC2)C[C@H]1O ZINC000691358420 987283030 /nfs/dbraw/zinc/28/30/30/987283030.db2.gz HLWURWGAZLVAFC-QWHCGFSZSA-N 2 0 226.364 1.031 20 0 BDADRP CC(C)(C)[C@H](O)C[NH2+][C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001246005875 987286019 /nfs/dbraw/zinc/28/60/19/987286019.db2.gz ZGQLRUICFUKTMB-BNOWGMLFSA-N 2 0 240.391 1.787 20 0 BDADRP CC[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)C[C@@H]1O ZINC000691358417 987286676 /nfs/dbraw/zinc/28/66/76/987286676.db2.gz HLWURWGAZLVAFC-OLZOCXBDSA-N 2 0 226.364 1.031 20 0 BDADRP CC(C)[C@@H](O)C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246018624 987308574 /nfs/dbraw/zinc/30/85/74/987308574.db2.gz FZZPMTQBFCKVPS-RYUDHWBXSA-N 2 0 214.353 1.207 20 0 BDADRP CC(C)[C@H](O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001246019903 987309592 /nfs/dbraw/zinc/30/95/92/987309592.db2.gz IYADGHULFSODLI-JHJVBQTASA-N 2 0 228.380 1.310 20 0 BDADRP CC[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001246023146 987313592 /nfs/dbraw/zinc/31/35/92/987313592.db2.gz OIDYTLLMWZNTBR-SDDRHHMPSA-N 2 0 214.353 1.064 20 0 BDADRP CC1(C)[C@H]([NH2+]CCCCO)[C@@H]2CCC[NH2+][C@@H]21 ZINC000693768167 987315717 /nfs/dbraw/zinc/31/57/17/987315717.db2.gz YMXBDQBFOGWLLG-TUAOUCFPSA-N 2 0 226.364 1.125 20 0 BDADRP C[C@H](Cc1ccccn1)[NH2+]CC1CC[NH+](C)CC1 ZINC000694027137 987317602 /nfs/dbraw/zinc/31/76/02/987317602.db2.gz CZHLKTZFQOXHGP-CYBMUJFWSA-N 2 0 247.386 1.944 20 0 BDADRP CCC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001246031907 987328423 /nfs/dbraw/zinc/32/84/23/987328423.db2.gz RJBKLDCTWJBMQW-AVGNSLFASA-N 2 0 228.380 1.454 20 0 BDADRP [NH3+]C1CC[NH+](C[C@@H](O)Cc2ccccc2)CC1 ZINC000695439069 987333254 /nfs/dbraw/zinc/33/32/54/987333254.db2.gz KBOZYVOAVCXDIT-AWEZNQCLSA-N 2 0 234.343 1.013 20 0 BDADRP CC(C)(C)[C@@H]1C[C@H](NC2CC[NH2+]CC2)CC[NH2+]1 ZINC001246077995 987367843 /nfs/dbraw/zinc/36/78/43/987367843.db2.gz LXYWGQLYSNSYLR-OLZOCXBDSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCO[C@H]1C)C1CC[NH2+]CC1 ZINC000400760093 987368212 /nfs/dbraw/zinc/36/82/12/987368212.db2.gz XXWCFBGTLKHSPY-JBLDHEPKSA-N 2 0 212.337 1.142 20 0 BDADRP C[C@H]1CC(NCC2([NH3+])CCCC2)C[C@H](C)[NH2+]1 ZINC001246077348 987369433 /nfs/dbraw/zinc/36/94/33/987369433.db2.gz UWXBGCKMQDZNTE-QWRGUYRKSA-N 2 0 225.380 1.377 20 0 BDADRP CC(C)CC[C@@H](C)[NH2+][C@@H](C)CN1CC[NH2+]CC1 ZINC001246079162 987372358 /nfs/dbraw/zinc/37/23/58/987372358.db2.gz JFFOEDQIBXCALW-KGLIPLIRSA-N 2 0 241.423 1.694 20 0 BDADRP CCCC(CCC)[NH2+]C[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001246081900 987378696 /nfs/dbraw/zinc/37/86/96/987378696.db2.gz JWOYGUYNCCWXTF-QWHCGFSZSA-N 2 0 246.370 1.607 20 0 BDADRP C1CC2(C1)C[C@H](NC1CC[NH2+]CC1)CC[NH2+]2 ZINC001246082917 987379619 /nfs/dbraw/zinc/37/96/19/987379619.db2.gz YTKBDTUWWSAWGH-GFCCVEGCSA-N 2 0 223.364 1.003 20 0 BDADRP CCC[NH+]1CCC(N[C@@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001246087461 987383732 /nfs/dbraw/zinc/38/37/32/987383732.db2.gz OINRTHCZVJIKII-QWHCGFSZSA-N 2 0 243.370 1.150 20 0 BDADRP CCC[NH+]1CCC(N[C@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001246087465 987385602 /nfs/dbraw/zinc/38/56/02/987385602.db2.gz OINRTHCZVJIKII-STQMWFEESA-N 2 0 243.370 1.150 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C2(C)CCOCC2)CC[NH2+]1 ZINC001246088272 987389379 /nfs/dbraw/zinc/38/93/79/987389379.db2.gz SPUUQGMZBAXMQM-WDEREUQCSA-N 2 0 212.337 1.286 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C2(C)CCOCC2)CC[NH2+]1 ZINC001246088225 987391411 /nfs/dbraw/zinc/39/14/11/987391411.db2.gz SPUUQGMZBAXMQM-GHMZBOCLSA-N 2 0 212.337 1.286 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N[C@H]1CCCC[NH2+]C1 ZINC001246089354 987393269 /nfs/dbraw/zinc/39/32/69/987393269.db2.gz DGJWWXOYFJZYLK-KBPBESRZSA-N 2 0 241.423 1.839 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[NH2+]C2)C[C@H](C)O1 ZINC001246089959 987393889 /nfs/dbraw/zinc/39/38/89/987393889.db2.gz IEGSGNZHRIRSFQ-YVECIDJPSA-N 2 0 226.364 1.674 20 0 BDADRP CC(C)OCC[C@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246090123 987394352 /nfs/dbraw/zinc/39/43/52/987394352.db2.gz JATSFPWULMOYNW-QWHCGFSZSA-N 2 0 228.380 1.922 20 0 BDADRP C[C@@H]1CC[C@@H](NC[C@@]2(C)CCCC[NH2+]C2)C[NH2+]1 ZINC001246089894 987395036 /nfs/dbraw/zinc/39/50/36/987395036.db2.gz HOADMGCJHFHSQR-MCIONIFRSA-N 2 0 239.407 1.496 20 0 BDADRP C1[NH2+]CC12CCC([NH2+][C@@H]1CCCC[NH2+]C1)CC2 ZINC001246090938 987398261 /nfs/dbraw/zinc/39/82/61/987398261.db2.gz NIHQEYGBZFOEIN-CYBMUJFWSA-N 3 0 237.391 1.250 20 0 BDADRP CC[C@@H]1C[C@H](N[C@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC001246090909 987398967 /nfs/dbraw/zinc/39/89/67/987398967.db2.gz MRPRIELNFOVSNC-UPJWGTAASA-N 2 0 225.380 1.249 20 0 BDADRP C[C@H]1CC[C@@H](C[NH2+]C2CCOCC2)C[NH2+]1 ZINC001246092132 987399400 /nfs/dbraw/zinc/39/94/00/987399400.db2.gz HZUNJVGXYSKBIR-WDEREUQCSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H]1C[C@H](NC[C@@]2(C)CCCC[NH2+]C2)CC[NH2+]1 ZINC001246092982 987402052 /nfs/dbraw/zinc/40/20/52/987402052.db2.gz UGXMWEUSKLUWGT-MCIONIFRSA-N 2 0 239.407 1.496 20 0 BDADRP C[C@H]1C[NH2+]C[C@@H](C[NH2+]C2CCSCC2)C1 ZINC001246095367 987405305 /nfs/dbraw/zinc/40/53/05/987405305.db2.gz BKFYXHVRWDDBAX-MNOVXSKESA-N 2 0 228.405 1.717 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2CC[NH2+]CC[C@@H]2C)CC[NH2+]1 ZINC001246098655 987414522 /nfs/dbraw/zinc/41/45/22/987414522.db2.gz UAWRAZARPZEOHE-LOWDOPEQSA-N 2 0 225.380 1.105 20 0 BDADRP CC(C)(C)[C@H]1C[C@H](N[C@@]2(C)CC[NH2+]C2)CC[NH2+]1 ZINC001246099658 987418597 /nfs/dbraw/zinc/41/85/97/987418597.db2.gz YEXZTLWIWREOSL-BZPMIXESSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1N[C@@H]1CCC[N@H+](C)CC1 ZINC001246101817 987423161 /nfs/dbraw/zinc/42/31/61/987423161.db2.gz MMWGDZNCCDWVHN-JHJVBQTASA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCOC(C)(C)C2)C[NH2+]1 ZINC001246102121 987423171 /nfs/dbraw/zinc/42/31/71/987423171.db2.gz WNTKZQITPPAUCK-FRRDWIJNSA-N 2 0 240.391 1.922 20 0 BDADRP CC(C)[C@@H]1C[C@H](N[C@@H]2CCCC[C@@H]2[NH3+])CC[NH2+]1 ZINC001246101849 987424794 /nfs/dbraw/zinc/42/47/94/987424794.db2.gz MOKKEHHXEVMFMS-RQJABVFESA-N 2 0 239.407 1.623 20 0 BDADRP CCCC[C@@H]1C[C@@H](NCC(C)(C)[NH3+])CC[NH2+]1 ZINC001246102006 987425518 /nfs/dbraw/zinc/42/55/18/987425518.db2.gz QRLUGRJPVRQSFY-NEPJUHHUSA-N 2 0 227.396 1.624 20 0 BDADRP C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](F)C2)CC[NH2+]1 ZINC001246102932 987426480 /nfs/dbraw/zinc/42/64/80/987426480.db2.gz UHCMVHZKZVOGRJ-LNFKQOIKSA-N 2 0 200.301 1.607 20 0 BDADRP CCOCC[C@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H](C)C1 ZINC001246104261 987433779 /nfs/dbraw/zinc/43/37/79/987433779.db2.gz UPYYWKNERXVHTQ-AGIUHOORSA-N 2 0 228.380 1.637 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1CNC1CC[NH+](C)CC1 ZINC001246106118 987433792 /nfs/dbraw/zinc/43/37/92/987433792.db2.gz CTOAIVRYTHBFHB-NWDGAFQWSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[NH2+]CC[C@H]2C)CC[NH2+]1 ZINC001246104784 987434196 /nfs/dbraw/zinc/43/41/96/987434196.db2.gz BZFSFQOOFQQCER-AAVRWANBSA-N 3 0 239.407 1.352 20 0 BDADRP CC[C@@H]1C[C@H](NC[C@@H]2C[NH2+]C[C@@H](C)C2)CC[NH2+]1 ZINC001246106327 987435254 /nfs/dbraw/zinc/43/52/54/987435254.db2.gz XGSWJIBLBCQUHB-IGQOVBAYSA-N 2 0 239.407 1.352 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+][C@H]1CCC2(C[NH2+]C2)C1 ZINC001246108454 987436105 /nfs/dbraw/zinc/43/61/05/987436105.db2.gz HVBYFSBGYOLSRA-XQQFMLRXSA-N 3 0 237.391 1.106 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+]C2C[C@@H](C)O[C@H](C)C2)[NH2+]C1 ZINC001246106604 987436897 /nfs/dbraw/zinc/43/68/97/987436897.db2.gz DWOZSVMILHOYJE-FDYHWXHSSA-N 2 0 240.391 1.920 20 0 BDADRP CC(C)(C)[C@@H]1C[C@@H](N[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246107523 987437922 /nfs/dbraw/zinc/43/79/22/987437922.db2.gz BYUQPNWRCOJOLQ-XQQFMLRXSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[NH2+]CC[C@H]2C)C[C@H](C)O1 ZINC001246109201 987442416 /nfs/dbraw/zinc/44/24/16/987442416.db2.gz FWCVVOBSPXNJJQ-PEBLQZBPSA-N 2 0 240.391 1.778 20 0 BDADRP CC[C@@H]1C[C@@H](N[C@H]2C[NH2+]C[C@@H]2C)C[C@H](CC)[NH2+]1 ZINC001246110028 987443426 /nfs/dbraw/zinc/44/34/26/987443426.db2.gz PVCYMQAPFNNPQQ-HPCHECBXSA-N 2 0 239.407 1.493 20 0 BDADRP C[NH2+]CCCN[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246112081 987445333 /nfs/dbraw/zinc/44/53/33/987445333.db2.gz KNVDLWCELVQCFN-RYUDHWBXSA-N 3 0 227.396 1.352 20 0 BDADRP CC[C@@H]1C[C@H](NC[C@H]2C[NH2+]CC[C@H]2C)CC[NH2+]1 ZINC001246111613 987445510 /nfs/dbraw/zinc/44/55/10/987445510.db2.gz KSYQXIARTAISSM-AAVRWANBSA-N 3 0 239.407 1.352 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[NH2+]CC[C@@H]2C)CN1 ZINC001246113355 987449719 /nfs/dbraw/zinc/44/97/19/987449719.db2.gz SWFWNAUWNAXDKC-CRWXNKLISA-N 2 0 239.407 1.352 20 0 BDADRP C[C@@H]1CC[C@@H](CN[C@H]2CCC[NH2+]CC2)[NH2+]C1 ZINC001246113949 987450290 /nfs/dbraw/zinc/45/02/90/987450290.db2.gz OKVDFTAZQWZHBV-AGIUHOORSA-N 2 0 225.380 1.106 20 0 BDADRP C[C@@H]1C[C@H](NC[C@H]2CCC[NH2+][C@@H]2C)CC[NH2+]1 ZINC001246114461 987454408 /nfs/dbraw/zinc/45/44/08/987454408.db2.gz WQOOWWMCIZZXSF-FDYHWXHSSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1CC[C@H](CN[C@@H]2CC[C@@H](C)[NH2+]C2)[NH2+]C1 ZINC001246116027 987456274 /nfs/dbraw/zinc/45/62/74/987456274.db2.gz UPOHISRRRCOPMA-FDYHWXHSSA-N 2 0 225.380 1.105 20 0 BDADRP CC[C@H]1CC(NC2CC([NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246117250 987458798 /nfs/dbraw/zinc/45/87/98/987458798.db2.gz YLAXBZSCVQTTQP-YECOWLKZSA-N 2 0 225.380 1.375 20 0 BDADRP C[C@@H]1CCC[C@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246116622 987459252 /nfs/dbraw/zinc/45/92/52/987459252.db2.gz OIIYWIQFLYEFLD-AGIUHOORSA-N 2 0 237.391 1.249 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1N[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246116559 987460000 /nfs/dbraw/zinc/46/00/00/987460000.db2.gz GDAKTIYHVGRHJE-RKQHYHRCSA-N 2 0 237.391 1.247 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]C[C@H]2C[NH2+]CC[C@H]2C)CCO1 ZINC001246118792 987464379 /nfs/dbraw/zinc/46/43/79/987464379.db2.gz IOXNXNDPOPHMMY-AAVRWANBSA-N 2 0 240.391 1.779 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC001246118828 987464458 /nfs/dbraw/zinc/46/44/58/987464458.db2.gz IVNHUAVSJSCIEC-RFQIPJPRSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCCOCC1 ZINC001246122643 987467900 /nfs/dbraw/zinc/46/79/00/987467900.db2.gz YKEHBOVOUJPDSE-JHJVBQTASA-N 2 0 226.364 1.391 20 0 BDADRP C[C@@H](Cc1cccnc1)N[C@H]1CCC[NH2+]C1 ZINC001246121962 987469052 /nfs/dbraw/zinc/46/90/52/987469052.db2.gz CXSJUMSKGOSSNJ-AAEUAGOBSA-N 2 0 219.332 1.354 20 0 BDADRP C[C@@H]1CC[C@H](N[C@H]2CCC[NH2+]C[C@H]2C)C[NH2+]1 ZINC001246120208 987469669 /nfs/dbraw/zinc/46/96/69/987469669.db2.gz ZHCVYUOQIVQTAJ-NDBYEHHHSA-N 2 0 225.380 1.105 20 0 BDADRP CC1(N[C@@H]2CC[NH2+]C3(CCCCC3)C2)C[NH2+]C1 ZINC001246124447 987472040 /nfs/dbraw/zinc/47/20/40/987472040.db2.gz XCOOVVNJSGFGML-GFCCVEGCSA-N 2 0 237.391 1.393 20 0 BDADRP CC[C@@H]1C[C@H](N[C@@H]2C[NH2+]C[C@H]2F)C[C@H](CC)[NH2+]1 ZINC001246127438 987472868 /nfs/dbraw/zinc/47/28/68/987472868.db2.gz KTIOWIOBGXWNAG-KSSYENDESA-N 2 0 243.370 1.195 20 0 BDADRP C1C([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC12CC[NH2+]C2 ZINC001246130001 987475910 /nfs/dbraw/zinc/47/59/10/987475910.db2.gz XOKIDHWKNGGHGR-BTSKDQLBSA-N 3 0 235.375 1.001 20 0 BDADRP C[NH2+]CC[C@H](C)[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246133743 987488454 /nfs/dbraw/zinc/48/84/54/987488454.db2.gz VJWHPCVEUICVOV-STQMWFEESA-N 3 0 239.407 1.496 20 0 BDADRP C1CC12C[NH2+]C[C@H]2[NH2+]C1CCC2(CC[NH2+]C2)CC1 ZINC001246134174 987488898 /nfs/dbraw/zinc/48/88/98/987488898.db2.gz PPARKBVEWHLTMS-ROKHWSDSSA-N 3 0 249.402 1.250 20 0 BDADRP C[C@H]1CC[C@H](N[C@@]23CCC[C@@H]2[NH2+]CC3)C[NH2+]1 ZINC001246135163 987490422 /nfs/dbraw/zinc/49/04/22/987490422.db2.gz PWGNHGXMROXHAO-ZDEQEGDKSA-N 2 0 223.364 1.001 20 0 BDADRP CCC[NH+]1CCC(N[C@@H]2C[NH2+]CC23CC3)CC1 ZINC001246135761 987491748 /nfs/dbraw/zinc/49/17/48/987491748.db2.gz VAEAMXRJBCTDFY-CYBMUJFWSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2C[NH2+]Cc3ccsc32)C[NH2+]1 ZINC001246142169 987499369 /nfs/dbraw/zinc/49/93/69/987499369.db2.gz MUPAWDVKJFFEJD-DVVUODLYSA-N 2 0 237.372 1.232 20 0 BDADRP CCCC[C@H](CCC)[NH2+][C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001246146262 987503471 /nfs/dbraw/zinc/50/34/71/987503471.db2.gz GHWJTYFSZIJNKK-RFQIPJPRSA-N 2 0 240.391 1.922 20 0 BDADRP CCCC[C@H](CC)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@@H]1COC2 ZINC001246147832 987504912 /nfs/dbraw/zinc/50/49/12/987504912.db2.gz KFACWCQGUZWIBY-RFQIPJPRSA-N 2 0 240.391 1.779 20 0 BDADRP C[NH2+]CC[C@@H](C)[NH2+]C[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001246150182 987507367 /nfs/dbraw/zinc/50/73/67/987507367.db2.gz MWJMHXDUXDVPLH-MQYQWHSLSA-N 3 0 239.407 1.210 20 0 BDADRP C[C@H]1CC[C@@H](N[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)C[NH2+]1 ZINC001246148799 987508345 /nfs/dbraw/zinc/50/83/45/987508345.db2.gz RZACTNKJUFWWAU-MQLXINIDSA-N 2 0 237.391 1.105 20 0 BDADRP CC[NH+](CC)CCCC[NH2+][C@@H]1CC[C@H](C)NC1 ZINC001246162358 987511121 /nfs/dbraw/zinc/51/11/21/987511121.db2.gz PBYAIOSJCHAUFY-UONOGXRCSA-N 2 0 241.423 1.839 20 0 BDADRP CCC[NH+](CCC)CCN[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246161364 987524541 /nfs/dbraw/zinc/52/45/41/987524541.db2.gz KHJCFLFWWIIXCR-UONOGXRCSA-N 2 0 241.423 1.839 20 0 BDADRP CCOC(CCC[NH2+]C1CC[NH2+]CC1)OCC ZINC001246166582 987527073 /nfs/dbraw/zinc/52/70/73/987527073.db2.gz WCUZEWSICZRLGN-UHFFFAOYSA-N 2 0 244.379 1.507 20 0 BDADRP C[C@H]1C[C@@H](NCC[NH2+]Cc2ccccc2)CC[NH2+]1 ZINC001246165599 987528212 /nfs/dbraw/zinc/52/82/12/987528212.db2.gz JPCTZHCQJALZDQ-ZFWWWQNUSA-N 2 0 247.386 1.506 20 0 BDADRP c1ccc(C[NH2+]CCN[C@@H]2CCC[NH2+]C2)cc1 ZINC001246166353 987529395 /nfs/dbraw/zinc/52/93/95/987529395.db2.gz QFBQXLCDMFRNLF-CQSZACIVSA-N 2 0 233.359 1.118 20 0 BDADRP CC1(C)C[C@H](NC[C@@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001246172209 987538961 /nfs/dbraw/zinc/53/89/61/987538961.db2.gz ZWJNYRLQTRVGLR-NEPJUHHUSA-N 2 0 225.380 1.249 20 0 BDADRP C[NH+](C)Cc1cccc(CN[C@H]2CCC[NH2+]C2)c1 ZINC001246172884 987539187 /nfs/dbraw/zinc/53/91/87/987539187.db2.gz DMFMXVFURSNMQI-HNNXBMFYSA-N 3 0 247.386 1.590 20 0 BDADRP [NH3+]C1CC2(C1)CC([NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246185704 987559430 /nfs/dbraw/zinc/55/94/30/987559430.db2.gz WMCOILGXBBMYRC-HGVNPNRVSA-N 3 0 235.375 1.129 20 0 BDADRP COC(=O)CCCC[C@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC001246186094 987564550 /nfs/dbraw/zinc/56/45/50/987564550.db2.gz DZXQRPMPPGFHRO-NWDGAFQWSA-N 2 0 242.363 1.450 20 0 BDADRP C([NH2+][C@@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@H]1CCC[NH2+]1 ZINC001246186231 987564628 /nfs/dbraw/zinc/56/46/28/987564628.db2.gz GPUISYGIJRZHJR-MCIONIFRSA-N 3 0 237.391 1.250 20 0 BDADRP C(N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@H]1CCC[NH2+]1 ZINC001246186836 987565185 /nfs/dbraw/zinc/56/51/85/987565185.db2.gz HZYNXLZFONCECU-VXGBXAGGSA-N 2 0 223.364 1.003 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)NC[C@H]1CCC[NH2+]1 ZINC001246188098 987571418 /nfs/dbraw/zinc/57/14/18/987571418.db2.gz USTAIYREYFAFCC-CHWSQXEVSA-N 2 0 227.396 1.448 20 0 BDADRP CC1(C)CC([NH3+])CC(C)(C)N1C1CC[NH2+]CC1 ZINC001246188985 987572405 /nfs/dbraw/zinc/57/24/05/987572405.db2.gz ZAOWDWHOOYBRFT-UHFFFAOYSA-N 2 0 239.407 1.719 20 0 BDADRP CCOC(=O)C[C@@H](C)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC001246194029 987587364 /nfs/dbraw/zinc/58/73/64/987587364.db2.gz QBTJGLFBYJZIPI-MXWKQRLJSA-N 2 0 228.336 1.058 20 0 BDADRP C[C@@H](Cc1cccnc1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001246197500 987590254 /nfs/dbraw/zinc/59/02/54/987590254.db2.gz KVRVMGVEBBIRBC-GXTWGEPZSA-N 2 0 233.359 1.602 20 0 BDADRP COCC1([NH2+][C@@H]2CC[NH2+][C@H](C)C2)CCC1 ZINC001246196508 987592126 /nfs/dbraw/zinc/59/21/26/987592126.db2.gz SXWSAZXVQCKJRN-GHMZBOCLSA-N 2 0 212.337 1.286 20 0 BDADRP C[C@H](Cc1cccnc1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001246197505 987592505 /nfs/dbraw/zinc/59/25/05/987592505.db2.gz KVRVMGVEBBIRBC-TZMCWYRMSA-N 2 0 233.359 1.602 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)c2cnccn2)CC[NH2+]1 ZINC001246197204 987592674 /nfs/dbraw/zinc/59/26/74/987592674.db2.gz ZJCIKRYAXOSANI-NEPJUHHUSA-N 2 0 248.374 1.484 20 0 BDADRP C[C@H](Cc1ccncc1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001246200570 987595319 /nfs/dbraw/zinc/59/53/19/987595319.db2.gz RBSWFFPWGIQHSN-TZMCWYRMSA-N 2 0 233.359 1.602 20 0 BDADRP CC[NH+](CC)CC[C@H](C)NC[C@@H]1CCC[NH2+]C1 ZINC001246201022 987596277 /nfs/dbraw/zinc/59/62/77/987596277.db2.gz UDKUPUFIUITXLB-UONOGXRCSA-N 2 0 241.423 1.696 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)CCO1 ZINC001246199657 987597179 /nfs/dbraw/zinc/59/71/79/987597179.db2.gz YJNZRADZDVWPMA-YNEHKIRRSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H]1CC(N[C@@H]2CCC[C@@H]([NH3+])C2)C[C@H](C)[NH2+]1 ZINC001246206337 987601885 /nfs/dbraw/zinc/60/18/85/987601885.db2.gz ZOJJTMRIYMXDII-NNYUYHANSA-N 3 0 225.380 1.375 20 0 BDADRP CC1(C[NH2+][C@H]2CCCC[NH2+]C2)CC[NH2+]CC1 ZINC001246209181 987606453 /nfs/dbraw/zinc/60/64/53/987606453.db2.gz FUZYXCUGZPDLCZ-LBPRGKRZSA-N 3 0 225.380 1.108 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+]CC2)CC[NH2+]1 ZINC001246223260 987620561 /nfs/dbraw/zinc/62/05/61/987620561.db2.gz JPBPCFJCFKSELH-AGIUHOORSA-N 3 0 225.380 1.106 20 0 BDADRP C([NH2+][C@H]1CCCC[NH2+]C1)[C@H]1CCC[NH2+]CC1 ZINC001246225281 987622707 /nfs/dbraw/zinc/62/27/07/987622707.db2.gz OTWCAGVVBCLXMQ-STQMWFEESA-N 3 0 225.380 1.108 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)CN1 ZINC001246226735 987623822 /nfs/dbraw/zinc/62/38/22/987623822.db2.gz BODOQMNJNKIHMC-AGIUHOORSA-N 2 0 225.380 1.106 20 0 BDADRP CC[C@H](C)C[C@@H](C)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246235305 987631644 /nfs/dbraw/zinc/63/16/44/987631644.db2.gz YZYAQHZWIKEAPI-YNEHKIRRSA-N 2 0 239.407 1.495 20 0 BDADRP CCC1([NH2+][C@H]2CCC3(C2)CC[NH2+]CC3)CNC1 ZINC001246236758 987634852 /nfs/dbraw/zinc/63/48/52/987634852.db2.gz QVZDSDIZQTTXRF-LBPRGKRZSA-N 2 0 237.391 1.250 20 0 BDADRP C[C@@H](Cc1cnccn1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246236140 987635108 /nfs/dbraw/zinc/63/51/08/987635108.db2.gz JYSIHPBMWOYUAJ-ACJTYDJDSA-N 2 0 246.358 1.280 20 0 BDADRP CCC1([NH2+][C@@H]2CCC3(C2)CC[NH2+]CC3)CNC1 ZINC001246236757 987635197 /nfs/dbraw/zinc/63/51/97/987635197.db2.gz QVZDSDIZQTTXRF-GFCCVEGCSA-N 2 0 237.391 1.250 20 0 BDADRP CC[C@H](C)C[C@H](CC)N[C@H]1C[NH2+]C[C@@H]1OC ZINC001246241310 987643364 /nfs/dbraw/zinc/64/33/64/987643364.db2.gz WPWQITIMVKVHNZ-CYDGBPFRSA-N 2 0 228.380 1.778 20 0 BDADRP C[C@H]([NH3+])c1ccn([C@H]2CC[NH2+][C@H](C)C2)n1 ZINC001246249340 987650091 /nfs/dbraw/zinc/65/00/91/987650091.db2.gz OKWJOQQFGZOXOP-UTLUCORTSA-N 2 0 208.309 1.216 20 0 BDADRP C[C@@H](C[NH+]1CCC(C)CC1)N[C@H]1CCC[NH2+]C1 ZINC001246255182 987651265 /nfs/dbraw/zinc/65/12/65/987651265.db2.gz JQQAWTIWUPVPFX-KBPBESRZSA-N 2 0 239.407 1.448 20 0 BDADRP [NH3+][C@@H]1CCN([C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC001246259566 987656906 /nfs/dbraw/zinc/65/69/06/987656906.db2.gz BCYYBIVXJDILIV-DGCLKSJQSA-N 2 0 231.343 1.649 20 0 BDADRP C[C@H]1CC[C@@H](NC(C)(C)CC[NH+](C)C)C[NH2+]1 ZINC001246268971 987663112 /nfs/dbraw/zinc/66/31/12/987663112.db2.gz XTHHMKZMVSEXCC-NWDGAFQWSA-N 2 0 227.396 1.447 20 0 BDADRP CCC[NH2+]CCN[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246268108 987663373 /nfs/dbraw/zinc/66/33/73/987663373.db2.gz HYOIRHZVYJALSP-CHWSQXEVSA-N 2 0 241.423 1.742 20 0 BDADRP CCNCC[NH2+]C1CCC2(CC[NH2+]C2)CC1 ZINC001246274378 987669510 /nfs/dbraw/zinc/66/95/10/987669510.db2.gz WQIZEKYXNMBETL-UHFFFAOYSA-N 2 0 225.380 1.108 20 0 BDADRP C[C@@H]1CC[C@@H](NCC2([NH3+])CCCCC2)C[NH2+]1 ZINC001246278947 987672642 /nfs/dbraw/zinc/67/26/42/987672642.db2.gz KMRBLDMBYWJUBA-VXGBXAGGSA-N 2 0 225.380 1.378 20 0 BDADRP CC(C)[C@H]1C[C@H](NC2(C[NH3+])CCCC2)CC[NH2+]1 ZINC001246280672 987675423 /nfs/dbraw/zinc/67/54/23/987675423.db2.gz VEDLCPAMDIDCIG-CHWSQXEVSA-N 2 0 239.407 1.624 20 0 BDADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246283020 987678630 /nfs/dbraw/zinc/67/86/30/987678630.db2.gz YDLHFUPTYDIEFY-WYUUTHIRSA-N 2 0 240.347 1.058 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCN(C)CC[NH3+])CC(C)(C)C1 ZINC001246283313 987678819 /nfs/dbraw/zinc/67/88/19/987678819.db2.gz HKNLNKIAGCFIST-CHWSQXEVSA-N 2 0 241.423 1.681 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCCC(C)(C)O)CC[NH2+]1 ZINC001246299086 987693332 /nfs/dbraw/zinc/69/33/32/987693332.db2.gz FCBQAJQZLDWGSW-MNOVXSKESA-N 2 0 214.353 1.268 20 0 BDADRP CCOC(=O)[C@H]1CCC[C@@H]1N[C@H]1CCC[NH2+]C1 ZINC001246303521 987700446 /nfs/dbraw/zinc/70/04/46/987700446.db2.gz GUNROJPVFKLQKU-SRVKXCTJSA-N 2 0 240.347 1.060 20 0 BDADRP C[C@@H]1CC[C@H](N[C@@H]2CNc3ccccc3C2)C[NH2+]1 ZINC001246303434 987701285 /nfs/dbraw/zinc/70/12/85/987701285.db2.gz HHDKUOIJIOVCCS-XBFCOCLRSA-N 2 0 245.370 1.753 20 0 BDADRP CCCC[C@@H]1C[C@H](NCC[C@@H](C)[NH3+])CC[NH2+]1 ZINC001246303346 987702176 /nfs/dbraw/zinc/70/21/76/987702176.db2.gz HNPSPSMMJSMMAP-JHJVBQTASA-N 2 0 227.396 1.624 20 0 BDADRP CC[C@@H]1C[C@H](N[C@H]2CCC[C@H]2[NH3+])C[C@H](CC)[NH2+]1 ZINC001246305277 987703852 /nfs/dbraw/zinc/70/38/52/987703852.db2.gz MQIIKAYRXCSHRA-HTOAHKCRSA-N 2 0 239.407 1.765 20 0 BDADRP CCOC(=O)[C@@H]1CCC[C@@H]([NH2+]CC[C@H](C)[NH3+])C1 ZINC001246305129 987705001 /nfs/dbraw/zinc/70/50/01/987705001.db2.gz NNOCJSHJGLGDGF-QJPTWQEYSA-N 2 0 242.363 1.435 20 0 BDADRP C[C@H]([NH3+])CC[NH2+]C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001246306673 987705110 /nfs/dbraw/zinc/70/51/10/987705110.db2.gz RRIQSCUCXXIICP-IVZWLZJFSA-N 2 0 210.321 1.071 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)c1ccoc1 ZINC001246307641 987706881 /nfs/dbraw/zinc/70/68/81/987706881.db2.gz ZZQJLYIRIPQVKE-CMPLNLGQSA-N 2 0 235.331 1.024 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@H]1CCO[C@H](CC)C1 ZINC001246314758 987707634 /nfs/dbraw/zinc/70/76/34/987707634.db2.gz PUZRNIZBBGYGDG-GARJFASQSA-N 2 0 200.326 1.271 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1Cc2cccc(F)c2C1 ZINC001246311415 987711882 /nfs/dbraw/zinc/71/18/82/987711882.db2.gz CJXICFCCZURZEH-WDEREUQCSA-N 2 0 222.307 1.620 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246311560 987712892 /nfs/dbraw/zinc/71/28/92/987712892.db2.gz PPXGJEKUMIAPDF-MQYQWHSLSA-N 2 0 239.407 1.623 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@@H](C(=O)OC)CC1 ZINC001246312746 987716642 /nfs/dbraw/zinc/71/66/42/987716642.db2.gz HOHXIAVWERCLEH-GRYCIOLGSA-N 2 0 242.363 1.435 20 0 BDADRP C[C@H]1CC[C@@H](NCc2ccccc2C[NH3+])C[NH2+]1 ZINC001246322928 987728995 /nfs/dbraw/zinc/72/89/95/987728995.db2.gz ICGDHUUNKIOAKD-SMDDNHRTSA-N 2 0 233.359 1.375 20 0 BDADRP C[C@@H]1CC[C@@H](N2C[C@@H](C[NH3+])c3ccccc32)C[NH2+]1 ZINC001246322260 987729014 /nfs/dbraw/zinc/72/90/14/987729014.db2.gz GYCOGJNRXKISGM-JHJVBQTASA-N 2 0 245.370 1.689 20 0 BDADRP C1C[C@H]2CC(N[C@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)C[C@@H]1[NH2+]2 ZINC001246331735 987738379 /nfs/dbraw/zinc/73/83/79/987738379.db2.gz JFDBKKLTHOMIER-SMSJVIDGSA-N 2 0 249.402 1.532 20 0 BDADRP CC1(C)CC[NH2+]C[C@H]1N[C@@H]1CCCC[NH2+]C1 ZINC001246333576 987743607 /nfs/dbraw/zinc/74/36/07/987743607.db2.gz VUKIFEMVKVQKQZ-VXGBXAGGSA-N 2 0 225.380 1.106 20 0 BDADRP CC(C)[C@@H]([NH3+])C[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246335609 987746367 /nfs/dbraw/zinc/74/63/67/987746367.db2.gz ZXTLRKBYARBBDH-STQMWFEESA-N 3 0 239.407 1.482 20 0 BDADRP [NH3+][C@@]12CC[C@@](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)(C1)CCC2 ZINC001246342041 987753065 /nfs/dbraw/zinc/75/30/65/987753065.db2.gz QSIYZYUZBUMDTG-FIBILERRSA-N 2 0 249.402 1.663 20 0 BDADRP c1ccc2c(c1)CC[C@@H](CN[C@H]1CC[NH2+]C1)N2 ZINC001246353466 987759278 /nfs/dbraw/zinc/75/92/78/987759278.db2.gz RNXGEDYOGKTDHT-STQMWFEESA-N 2 0 231.343 1.365 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](N[C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246362400 987766695 /nfs/dbraw/zinc/76/66/95/987766695.db2.gz OXZCZHLZYHMZTH-AVGNSLFASA-N 2 0 225.380 1.199 20 0 BDADRP CC(C)C[N@@H+]1CC[C@H](NC2CC[NH2+]CC2)C1 ZINC001246360187 987768942 /nfs/dbraw/zinc/76/89/42/987768942.db2.gz GBYXSSHOLJBODO-ZDUSSCGKSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H]1C[C@@H](n2c(C[NH3+])cc3ccncc32)CC[NH2+]1 ZINC001246364731 987770949 /nfs/dbraw/zinc/77/09/49/987770949.db2.gz UBIDYNWWFAWFMC-PWSUYJOCSA-N 2 0 244.342 1.808 20 0 BDADRP [NH3+]CCc1cccc(N[C@H]2CCC[NH2+]C2)c1 ZINC001246365160 987772144 /nfs/dbraw/zinc/77/21/44/987772144.db2.gz OIXJDQWFPSPJPH-ZDUSSCGKSA-N 2 0 219.332 1.352 20 0 BDADRP COC[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)C1CC1 ZINC001246389685 987778582 /nfs/dbraw/zinc/77/85/82/987778582.db2.gz MUMFYMRAJUCTGJ-ADEWGFFLSA-N 2 0 212.337 1.142 20 0 BDADRP CC(C)CC(CC(C)C)[NH2+]CCNCC[NH3+] ZINC001246402506 987784783 /nfs/dbraw/zinc/78/47/83/987784783.db2.gz AMKHSYAECDUOQE-UHFFFAOYSA-N 2 0 229.412 1.585 20 0 BDADRP Cc1ccc(CC[C@@H](C)[NH2+]CCNCC[NH3+])cc1 ZINC001246407120 987787876 /nfs/dbraw/zinc/78/78/76/987787876.db2.gz WJJLJERBIVDPOA-CQSZACIVSA-N 2 0 249.402 1.454 20 0 BDADRP CCC1(N[C@@H]2CC[NH2+][C@@H](C)C2)CC[NH2+]CC1 ZINC001246423128 987794059 /nfs/dbraw/zinc/79/40/59/987794059.db2.gz IIWAUISTZFFWLH-NWDGAFQWSA-N 2 0 225.380 1.249 20 0 BDADRP CCSC[C@H](C)[NH2+][C@@H]1CC12C[NH2+]C2 ZINC001246445562 987799405 /nfs/dbraw/zinc/79/94/05/987799405.db2.gz PHXSOSFNNFMESG-DTWKUNHWSA-N 2 0 200.351 1.080 20 0 BDADRP CCCC[C@@H]1C[C@H](N[C@H]2CC23C[NH2+]C3)CC[NH2+]1 ZINC001246446668 987806689 /nfs/dbraw/zinc/80/66/89/987806689.db2.gz SSRLKUAGJWBDNT-UPJWGTAASA-N 2 0 237.391 1.249 20 0 BDADRP COc1ccc(N[C@@H]2CCC[NH2+]C2)cc1C[NH3+] ZINC001246450890 987807040 /nfs/dbraw/zinc/80/70/40/987807040.db2.gz DGXSQZKVZOCHHI-GFCCVEGCSA-N 2 0 235.331 1.318 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CCCNCCC[NH3+])C1 ZINC001246453832 987809496 /nfs/dbraw/zinc/80/94/96/987809496.db2.gz PYVRYOSAMDOOMH-NEPJUHHUSA-N 2 0 213.369 1.093 20 0 BDADRP CC(C)[NH2+]CC[NH2+][C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246455549 987814436 /nfs/dbraw/zinc/81/44/36/987814436.db2.gz XOWHAMHGNHADCE-KGLIPLIRSA-N 3 0 239.407 1.496 20 0 BDADRP C[NH2+][C@H]1C[C@H](N[C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)C1 ZINC001246459311 987816243 /nfs/dbraw/zinc/81/62/43/987816243.db2.gz FFWHMGLNKABFJJ-FDYHWXHSSA-N 2 0 239.407 1.493 20 0 BDADRP C[C@H]1CC(NC[C@@]2(C)CCC[NH2+]2)C[C@H](C)[NH2+]1 ZINC001246457239 987816962 /nfs/dbraw/zinc/81/69/62/987816962.db2.gz QXFJZJNYKVCBNU-GMXVVIOVSA-N 2 0 225.380 1.247 20 0 BDADRP CCC[C@@]1(CN[C@@H]2CCC[NH2+]CC2)CC[NH2+]1 ZINC001246458668 987817312 /nfs/dbraw/zinc/81/73/12/987817312.db2.gz AUICISYXSLUVKG-OLZOCXBDSA-N 2 0 225.380 1.250 20 0 BDADRP C(N[C@H]1CCC[NH2+]C1)[C@]1(CC2CC2)CCC[NH2+]1 ZINC001246461056 987818895 /nfs/dbraw/zinc/81/88/95/987818895.db2.gz MYACLQRIHJPIDF-UONOGXRCSA-N 2 0 237.391 1.250 20 0 BDADRP CCC[C@@]1(CN[C@@H]2CC[C@H](C)[NH2+]C2)CC[NH2+]1 ZINC001246462345 987819382 /nfs/dbraw/zinc/81/93/82/987819382.db2.gz PZDICFOUBLHRDR-XQQFMLRXSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@@H]1CC[C@@H](Nc2ccc(C[NH3+])c(F)c2)C[NH2+]1 ZINC001246465358 987823496 /nfs/dbraw/zinc/82/34/96/987823496.db2.gz WTOHVDZYIZJHGD-BXKDBHETSA-N 2 0 237.322 1.837 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCc2cccc(N)c2)CC[NH2+]1 ZINC001246465791 987825825 /nfs/dbraw/zinc/82/58/25/987825825.db2.gz LWKRNMVQCRFXIS-RISCZKNCSA-N 2 0 233.359 1.541 20 0 BDADRP COC[C@@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)C(C)C ZINC001246468529 987826225 /nfs/dbraw/zinc/82/62/25/987826225.db2.gz YOZMGIPTIBMQMM-SDDRHHMPSA-N 2 0 214.353 1.388 20 0 BDADRP F[C@H]1C[NH2+]CC[C@H]1C[NH2+]C1CCCCC1 ZINC001246475950 987830979 /nfs/dbraw/zinc/83/09/79/987830979.db2.gz HUQHDCZTUQQZCC-JQWIXIFHSA-N 2 0 214.328 1.856 20 0 BDADRP F[C@H]1C[NH2+]CC[C@H]1C[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001246474693 987831418 /nfs/dbraw/zinc/83/14/18/987831418.db2.gz AKESAZLJQZTMKX-ZZIFITQXSA-N 2 0 240.322 1.010 20 0 BDADRP C[N@@H+]1CCC[C@@H](N[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC001246478886 987836605 /nfs/dbraw/zinc/83/66/05/987836605.db2.gz PLERDHRVALCBGQ-UPJWGTAASA-N 2 0 225.380 1.330 20 0 BDADRP CCOCC[C@H](C)[NH2+][C@H]1CCCC[C@H]1[NH3+] ZINC001246478539 987838080 /nfs/dbraw/zinc/83/80/80/987838080.db2.gz PHNBUHKALQXMHN-TUAOUCFPSA-N 2 0 214.353 1.661 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+][C@H]2CCCC[C@H]2[NH3+])C1 ZINC001246479925 987838799 /nfs/dbraw/zinc/83/87/99/987838799.db2.gz WHHVMMDULLOLCW-XQHKEYJVSA-N 2 0 226.364 1.804 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N[C@@H]1C[NH2+]CC[C@@H]1F ZINC001246482061 987840335 /nfs/dbraw/zinc/84/03/35/987840335.db2.gz LJYPODUODSRVDH-FRRDWIJNSA-N 2 0 245.386 1.396 20 0 BDADRP CCC[NH+]1CCC(N[C@@H]2C[NH2+]CC[C@@H]2F)CC1 ZINC001246484306 987841070 /nfs/dbraw/zinc/84/10/70/987841070.db2.gz WRLJYOLOMIKEGA-QWHCGFSZSA-N 2 0 243.370 1.150 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N[C@@H]1C[NH2+]CC[C@@H]1F ZINC001246482063 987842026 /nfs/dbraw/zinc/84/20/26/987842026.db2.gz LJYPODUODSRVDH-RWMBFGLXSA-N 2 0 245.386 1.396 20 0 BDADRP CCOC(=O)CC1([NH2+][C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246493042 987847029 /nfs/dbraw/zinc/84/70/29/987847029.db2.gz XLWAWDZHLSUKOX-MNOVXSKESA-N 2 0 240.347 1.202 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+][C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246500059 987852863 /nfs/dbraw/zinc/85/28/63/987852863.db2.gz NYDDPDBFCYJZRD-NDBYEHHHSA-N 2 0 226.364 1.674 20 0 BDADRP [NH3+]C12CC(N[C@H]3CC[NH2+]C4(CCCCC4)C3)(C1)C2 ZINC001246499699 987853458 /nfs/dbraw/zinc/85/34/58/987853458.db2.gz DBDAKNSERLOJQT-OPFPJEHXSA-N 2 0 249.402 1.665 20 0 BDADRP CNc1cccc(C[NH2+]C2CC[NH2+]CC2)c1 ZINC001246505645 987859056 /nfs/dbraw/zinc/85/90/56/987859056.db2.gz OCUZNMLOUVDEOK-UHFFFAOYSA-N 2 0 219.332 1.570 20 0 BDADRP C[C@@H]1C[C@H](N[C@H](C[NH3+])c2ccccc2)C[NH2+]1 ZINC001246506732 987859295 /nfs/dbraw/zinc/85/92/95/987859295.db2.gz JKEFVYGXBQDUCC-KGYLQXTDSA-N 2 0 219.332 1.026 20 0 BDADRP C[C@@H]1C[C@@H](N[C@@H]2CC[N@H+](C)C[C@H]2C)CC[NH2+]1 ZINC001246504481 987859886 /nfs/dbraw/zinc/85/98/86/987859886.db2.gz AASGDOPRSUKPQQ-FVCCEPFGSA-N 2 0 225.380 1.057 20 0 BDADRP C[C@@H]1C[C@@H](N[C@H]2CC[N@H+](C)C[C@H]2C)CC[NH2+]1 ZINC001246504482 987860350 /nfs/dbraw/zinc/86/03/50/987860350.db2.gz AASGDOPRSUKPQQ-NDBYEHHHSA-N 2 0 225.380 1.057 20 0 BDADRP C[C@H]1CC(N[C@H](C[NH3+])c2ccccc2)C[C@H](C)[NH2+]1 ZINC001246508790 987861254 /nfs/dbraw/zinc/86/12/54/987861254.db2.gz ZYEWZEJMPBLJJG-SLEUVZQESA-N 2 0 247.386 1.805 20 0 BDADRP CC[C@@H]1CC(N(C)CC[NH2+]C)C[C@@H](CC)[NH2+]1 ZINC001246522973 987871814 /nfs/dbraw/zinc/87/18/14/987871814.db2.gz KLUDCPRROJWTSX-VXGBXAGGSA-N 2 0 227.396 1.447 20 0 BDADRP COC(=O)[C@@H]1CCC[N@@H+]([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246526129 987878301 /nfs/dbraw/zinc/87/83/01/987878301.db2.gz MEXMFPNYMREQLD-UTUOFQBUSA-N 2 0 240.347 1.012 20 0 BDADRP c1ccc2c(c1)C[NH+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246525526 987878542 /nfs/dbraw/zinc/87/85/42/987878542.db2.gz SKTLQTINZFLCOD-CQSZACIVSA-N 2 0 243.354 1.096 20 0 BDADRP C[N@H+](C1CCCCC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246534818 987894247 /nfs/dbraw/zinc/89/42/47/987894247.db2.gz ZAYRJZOBJMFABG-ZDUSSCGKSA-N 2 0 237.391 1.345 20 0 BDADRP C[C@H]1CC[C@@H](C[NH3+])N1[C@H]1CCC[N@H+](C)CC1 ZINC001246537794 987898020 /nfs/dbraw/zinc/89/80/20/987898020.db2.gz LFSXLHLKFONYIC-AVGNSLFASA-N 2 0 225.380 1.282 20 0 BDADRP CCSC[C@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC001246537231 987899471 /nfs/dbraw/zinc/89/94/71/987899471.db2.gz GMFIMLUINKPLNQ-JTQLQIEISA-N 2 0 216.394 1.799 20 0 BDADRP CC(C)OCC[C@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC001246538446 987899538 /nfs/dbraw/zinc/89/95/38/987899538.db2.gz OVPUEDZCLXPDQF-LBPRGKRZSA-N 2 0 228.380 1.861 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N2CCC[C@](C)([NH3+])C2)CC[NH2+]1 ZINC001246537860 987899667 /nfs/dbraw/zinc/89/96/67/987899667.db2.gz DLULPEUKZNHSER-IHRRRGAJSA-N 2 0 239.407 1.576 20 0 BDADRP C[C@@H]1C[C@@H](N2CCCC[C@@H]2C[NH3+])C[C@H](C)[NH2+]1 ZINC001246540243 987904616 /nfs/dbraw/zinc/90/46/16/987904616.db2.gz MFWLTRZPUUBRJH-YVECIDJPSA-N 2 0 225.380 1.329 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH+]2CCC(C[NH3+])CC2)CC[NH2+]1 ZINC001246539505 987904742 /nfs/dbraw/zinc/90/47/42/987904742.db2.gz SBIZGIRWRNRKDB-KGLIPLIRSA-N 3 0 239.407 1.434 20 0 BDADRP CC1(C)C[C@H]([N@@H+]2CCC[C@H]([NH3+])CC2)CO1 ZINC001246539720 987904803 /nfs/dbraw/zinc/90/48/03/987904803.db2.gz IGGGQYQFZCQIIV-QWRGUYRKSA-N 2 0 212.337 1.367 20 0 BDADRP C[C@H](Cc1cccnc1)[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246540924 987905786 /nfs/dbraw/zinc/90/57/86/987905786.db2.gz KQSHKLKVCKRRIE-OUCADQQQSA-N 2 0 233.359 1.539 20 0 BDADRP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H]([NH3+])CC2)C1 ZINC001246543071 987910018 /nfs/dbraw/zinc/91/00/18/987910018.db2.gz SHACYYPRQUSZIO-GRYCIOLGSA-N 2 0 240.347 1.141 20 0 BDADRP CSCC[C@@H](C)[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246544879 987917935 /nfs/dbraw/zinc/91/79/35/987917935.db2.gz HUOAGUZGCKBSCZ-GHMZBOCLSA-N 2 0 216.394 1.941 20 0 BDADRP CC[C@@H]1CC[C@@H]([N@@H+]2CCC[C@](O)(C[NH3+])CC2)C1 ZINC001246547170 987926896 /nfs/dbraw/zinc/92/68/96/987926896.db2.gz BQGMDOVXGOWCOB-MGPQQGTHSA-N 2 0 240.391 1.741 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1C1CCC2(CC[NH2+]C2)CC1 ZINC001246547649 987927101 /nfs/dbraw/zinc/92/71/01/987927101.db2.gz FTUUGQWFDKXNMT-NELGMTEASA-N 3 0 237.391 1.330 20 0 BDADRP C[C@H]1CC[C@@H](C[NH3+])N1[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246547500 987928787 /nfs/dbraw/zinc/92/87/87/987928787.db2.gz QAIJTPDGVXQJBV-PDWCTOEPSA-N 2 0 237.391 1.471 20 0 BDADRP C[C@@]1([NH3+])CCC[N@@H+]([C@H]2CCSC2)CC1 ZINC001246549179 987936375 /nfs/dbraw/zinc/93/63/75/987936375.db2.gz HOFIJIRDNYGTMG-WDEREUQCSA-N 2 0 214.378 1.695 20 0 BDADRP C[C@H](Cc1cccnc1)[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246548198 987938230 /nfs/dbraw/zinc/93/82/30/987938230.db2.gz SPLYOHDTJUXIPH-TZMCWYRMSA-N 2 0 233.359 1.826 20 0 BDADRP C[C@]1([NH3+])CCC[N@@H+]([C@@H]2CCSC2)CC1 ZINC001246549166 987939805 /nfs/dbraw/zinc/93/98/05/987939805.db2.gz HOFIJIRDNYGTMG-MNOVXSKESA-N 2 0 214.378 1.695 20 0 BDADRP C[C@]1([NH3+])CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001246553966 987956471 /nfs/dbraw/zinc/95/64/71/987956471.db2.gz UGCIKOAFMCTUMU-GSPSYOTPSA-N 2 0 238.375 1.900 20 0 BDADRP [NH3+]C[C@@]1(F)CCC[N@@H+]([C@@H]2CCCOC2)CC1 ZINC001246553574 987958197 /nfs/dbraw/zinc/95/81/97/987958197.db2.gz ZEXXAMVPMMSAAX-VXGBXAGGSA-N 2 0 230.327 1.318 20 0 BDADRP C[C@@]1([NH3+])CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001246553967 987961449 /nfs/dbraw/zinc/96/14/49/987961449.db2.gz UGCIKOAFMCTUMU-WTUNAVPPSA-N 2 0 238.375 1.900 20 0 BDADRP [NH3+]C[C@]1(F)CCC[N@@H+]([C@H]2CCCOC2)CC1 ZINC001246553572 987961622 /nfs/dbraw/zinc/96/16/22/987961622.db2.gz ZEXXAMVPMMSAAX-RYUDHWBXSA-N 2 0 230.327 1.318 20 0 BDADRP C[C@@H]1CC[C@H](CN)[N@@H+]([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC001246555696 987965845 /nfs/dbraw/zinc/96/58/45/987965845.db2.gz HOMBRQIFRRRMOS-RKQHYHRCSA-N 2 0 237.391 1.044 20 0 BDADRP C[C@H]1C[C@@H](N2CCC[C@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246556098 987970906 /nfs/dbraw/zinc/97/09/06/987970906.db2.gz YKIHAHFHOBAKJM-AVGNSLFASA-N 2 0 225.380 1.330 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N2C[C@@H](C)[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246559628 987984333 /nfs/dbraw/zinc/98/43/33/987984333.db2.gz DOSIQHCZHZCXDT-XQHKEYJVSA-N 2 0 225.380 1.042 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2CCCC[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246560807 987990872 /nfs/dbraw/zinc/99/08/72/987990872.db2.gz UAWDZVGJYHNNQG-MJBXVCDLSA-N 2 0 239.407 1.576 20 0 BDADRP [NH3+]C[C@]1(O)CCCC[N@@H+](C2CCCCCC2)C1 ZINC001246561639 987992551 /nfs/dbraw/zinc/99/25/51/987992551.db2.gz RNILHZVPKNRDPB-CQSZACIVSA-N 2 0 240.391 1.885 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](C)[C@@H]2CO)CC[NH2+]1 ZINC001246561187 987993893 /nfs/dbraw/zinc/99/38/93/987993893.db2.gz FJXAYSQSEOTVQM-NDBYEHHHSA-N 2 0 226.364 1.220 20 0 BDADRP CC[C@@H]1C[C@H](N2CC[C@@H](C)[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246563487 988000543 /nfs/dbraw/zinc/00/05/43/988000543.db2.gz RHPJCLIALZZSHY-FDYHWXHSSA-N 2 0 225.380 1.186 20 0 BDADRP C[C@@H]1C[C@H](N2CCC[C@H](C[NH3+])[C@@H](C)C2)C[NH2+]1 ZINC001246562964 988005412 /nfs/dbraw/zinc/00/54/12/988005412.db2.gz BVRDNCILTUJLLU-LOWDOPEQSA-N 2 0 225.380 1.044 20 0 BDADRP CC[C@@H]1CC[C@@H]([N@@H+]2CCCC[C@@](O)(C[NH3+])C2)C1 ZINC001246562550 988005959 /nfs/dbraw/zinc/00/59/59/988005959.db2.gz UHDQNWFSLZCOSF-MGPQQGTHSA-N 2 0 240.391 1.741 20 0 BDADRP Cc1n[nH]c(=O)c(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c1C ZINC001118118277 988021780 /nfs/dbraw/zinc/02/17/80/988021780.db2.gz FAQBVHVWSDJPKX-YUMQZZPRSA-N 2 0 238.335 1.014 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@](O)(CF)C2)CC[NH2+]1 ZINC001246564050 988022221 /nfs/dbraw/zinc/02/22/21/988022221.db2.gz DBQVGNZHAWZGJA-AGIUHOORSA-N 2 0 244.354 1.313 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]CC[C@@H](C)[NH2+]C)C1(C)C ZINC001118122047 988024670 /nfs/dbraw/zinc/02/46/70/988024670.db2.gz NGOZMBUCKLFCHM-GRYCIOLGSA-N 2 0 228.380 1.778 20 0 BDADRP C[NH2+]C[C@H](C)CN[C@@H](C)c1cc(C)nn1C ZINC001118122264 988028542 /nfs/dbraw/zinc/02/85/42/988028542.db2.gz SGUIYHVGOHUGJN-ONGXEEELSA-N 2 0 224.352 1.235 20 0 BDADRP C[C@@H]1[C@@H](C[NH3+])CCCN1[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246568152 988036639 /nfs/dbraw/zinc/03/66/39/988036639.db2.gz ZSSUDCDUHSYOMN-JHJVBQTASA-N 2 0 239.407 1.576 20 0 BDADRP CCCC[C@H]1C[C@H](N2C[C@@H](C)[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246569580 988050576 /nfs/dbraw/zinc/05/05/76/988050576.db2.gz WNRPMTJBVQIVCK-XJFOESAGSA-N 2 0 239.407 1.576 20 0 BDADRP C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)C[C@@H]1C ZINC001246570779 988054675 /nfs/dbraw/zinc/05/46/75/988054675.db2.gz VNNZVJHCPYKXPT-KSSYENDESA-N 2 0 226.364 1.205 20 0 BDADRP C[C@@]1(C[NH3+])CCCN([C@@H]2CCC[NH2+]C2)CC1 ZINC001246574048 988066439 /nfs/dbraw/zinc/06/64/39/988066439.db2.gz IBHNRBOYZOBWCD-CHWSQXEVSA-N 2 0 225.380 1.189 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC001118193771 988086730 /nfs/dbraw/zinc/08/67/30/988086730.db2.gz FFJNINSWUIDTFO-QWRGUYRKSA-N 2 0 241.379 1.138 20 0 BDADRP CC[C@@H](Cc1ccccc1)[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246578432 988087466 /nfs/dbraw/zinc/08/74/66/988087466.db2.gz BXMXIIGFXJPUJO-KKUMJFAQSA-N 2 0 248.370 1.259 20 0 BDADRP C[C@@]1(F)CCCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001246579105 988101495 /nfs/dbraw/zinc/10/14/95/988101495.db2.gz YAFHKZICYXIAMY-GFCCVEGCSA-N 2 0 214.328 1.953 20 0 BDADRP C[C@@]1(C[NH3+])CCCCN([C@H]2CCCC[NH2+]C2)C1 ZINC001246579716 988105153 /nfs/dbraw/zinc/10/51/53/988105153.db2.gz GRYFBFOPYDJLHC-KBPBESRZSA-N 2 0 239.407 1.579 20 0 BDADRP [NH3+]C[C@@]1(F)CCCCN([C@@H]2CCC[NH2+]CC2)C1 ZINC001246581517 988109579 /nfs/dbraw/zinc/10/95/79/988109579.db2.gz QHLDXYARAWPTGZ-OLZOCXBDSA-N 2 0 243.370 1.281 20 0 BDADRP [NH3+]C[C@]1(F)CCCCN([C@@H]2CCC[NH2+]CC2)C1 ZINC001246581516 988112871 /nfs/dbraw/zinc/11/28/71/988112871.db2.gz QHLDXYARAWPTGZ-CHWSQXEVSA-N 2 0 243.370 1.281 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N1[C@H](C)C[NH2+]C[C@@H]1C ZINC001246587370 988146055 /nfs/dbraw/zinc/14/60/55/988146055.db2.gz SLEUPQRJCVBIFH-MCIONIFRSA-N 2 0 241.423 1.789 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](C)N1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246586881 988148953 /nfs/dbraw/zinc/14/89/53/988148953.db2.gz PJUNVVPQXVAOBT-RVOPOGNISA-N 2 0 237.391 1.342 20 0 BDADRP C[NH2+]C1CCC([N@@H+]2CC[C@@H](N)[C@H](F)CC2)CC1 ZINC001246587339 988150260 /nfs/dbraw/zinc/15/02/60/988150260.db2.gz NZZHXYRLOVRLPJ-FIYWTHMPSA-N 2 0 243.370 1.278 20 0 BDADRP C[C@H]1CC([N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)C[C@H](C)C1 ZINC001246589098 988153286 /nfs/dbraw/zinc/15/32/86/988153286.db2.gz YZYVOICBZIUTPA-HNCHTBHHSA-N 2 0 226.364 1.063 20 0 BDADRP C[C@H]1CC[C@@H](CO)[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246589312 988156371 /nfs/dbraw/zinc/15/63/71/988156371.db2.gz ZNEMWWVNCBYBCN-GCFWVWJCSA-N 2 0 224.348 1.115 20 0 BDADRP C[C@@]1(C[NH3+])CCCC[N@@H+](C2CCOCC2)C1 ZINC001246588032 988156623 /nfs/dbraw/zinc/15/66/23/988156623.db2.gz XPYJAYAKGIFYCT-ZDUSSCGKSA-N 2 0 226.364 1.616 20 0 BDADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccccc1C[NH3+] ZINC001118261138 988161791 /nfs/dbraw/zinc/16/17/91/988161791.db2.gz UQAYKNSKHWUNQZ-GWCFXTLKSA-N 2 0 249.358 1.135 20 0 BDADRP CCC1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246592140 988173931 /nfs/dbraw/zinc/17/39/31/988173931.db2.gz YARGMKWLFKEIOJ-CYBMUJFWSA-N 2 0 237.391 1.202 20 0 BDADRP CC[C@@H]1C[C@H](N2C[C@@H](C[NH3+])CC[C@H]2C)CC[NH2+]1 ZINC001246595001 988184719 /nfs/dbraw/zinc/18/47/19/988184719.db2.gz XEUFBXOMNJSIGQ-AAVRWANBSA-N 2 0 239.407 1.576 20 0 BDADRP CC[C@@H]1C[C@H](N2C[C@H](C[NH3+])CC[C@H]2C)CC[NH2+]1 ZINC001246595005 988185009 /nfs/dbraw/zinc/18/50/09/988185009.db2.gz XEUFBXOMNJSIGQ-XJFOESAGSA-N 2 0 239.407 1.576 20 0 BDADRP C[C@H]1CC[C@@H]([N@@H+]2CCNC3(CC[NH2+]CC3)C2)C1 ZINC001246598339 988193794 /nfs/dbraw/zinc/19/37/94/988193794.db2.gz AIVHUCKXLITPKH-QWHCGFSZSA-N 2 0 237.391 1.202 20 0 BDADRP CC(C)N(C1CC[NH2+]CC1)[C@H]1CCC[NH2+]CC1 ZINC001246596041 988194642 /nfs/dbraw/zinc/19/46/42/988194642.db2.gz UXDOSQMKZNWXIN-ZDUSSCGKSA-N 2 0 239.407 1.591 20 0 BDADRP C1CN([C@H]2CCC[NH2+]CC2)[C@@]2(C1)CCC[NH2+]C2 ZINC001246611996 988236593 /nfs/dbraw/zinc/23/65/93/988236593.db2.gz VZOKPAVPCYNXPP-UONOGXRCSA-N 2 0 237.391 1.347 20 0 BDADRP C1CC[C@]2(CCCN(C3CC[NH2+]CC3)C2)[NH2+]C1 ZINC001246615297 988253803 /nfs/dbraw/zinc/25/38/03/988253803.db2.gz RWAIHTWZNWOHMG-CQSZACIVSA-N 2 0 237.391 1.347 20 0 BDADRP C1C[NH2+][C@@]2(C1)CCN(C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246616120 988260129 /nfs/dbraw/zinc/26/01/29/988260129.db2.gz YFAUOCGJPDMUIM-PIGZVRMJSA-N 2 0 235.375 1.097 20 0 BDADRP C[C@@H](Cc1ccco1)[NH+]1CCC(F)(C[NH3+])CC1 ZINC001246626899 988296801 /nfs/dbraw/zinc/29/68/01/988296801.db2.gz LEDLEYRBMSMXBF-NSHDSACASA-N 2 0 240.322 1.973 20 0 BDADRP C[C@@H]1C[C@@H](N2CC[C@H]3C[NH2+]C[C@H]3CC2)CC[NH2+]1 ZINC001246630827 988310787 /nfs/dbraw/zinc/31/07/87/988310787.db2.gz PJNQXTAWTPSUDG-MQYQWHSLSA-N 2 0 237.391 1.058 20 0 BDADRP C1OCC12CCC([N@@H+]1CC[C@H]3[NH2+]CC[C@H]31)CC2 ZINC001246635579 988324334 /nfs/dbraw/zinc/32/43/34/988324334.db2.gz DCTWOPVLOQOWRH-CHWSQXEVSA-N 2 0 236.359 1.382 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[C@H]3[NH2+]CC[C@H]31)C2 ZINC001246636973 988330269 /nfs/dbraw/zinc/33/02/69/988330269.db2.gz HXPVRXZXRIXPGR-GZBLMMOJSA-N 3 0 249.402 1.438 20 0 BDADRP FC1(F)C[C@@H]2C[N@@H+]([C@@H]3CCC[NH2+]C3)C[C@@H]21 ZINC001246636313 988331919 /nfs/dbraw/zinc/33/19/19/988331919.db2.gz URMXXJTUELIUSV-BBBLOLIVSA-N 2 0 216.275 1.325 20 0 BDADRP CC(C)CC[C@@H](C)[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246642976 988355136 /nfs/dbraw/zinc/35/51/36/988355136.db2.gz NQUBCXVLGLEJDH-ZIAGYGMSSA-N 2 0 239.407 1.448 20 0 BDADRP CCCC[C@@H]1C[C@H](N2C[C@@H]3C[C@]3([NH3+])C2)CC[NH2+]1 ZINC001246645397 988364495 /nfs/dbraw/zinc/36/44/95/988364495.db2.gz MOHDRXQFZUTPSV-DGAVXFQQSA-N 2 0 237.391 1.330 20 0 BDADRP C1C[C@]2(C[NH2+]1)CCCC[N@@H+]2[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246645661 988365331 /nfs/dbraw/zinc/36/53/31/988365331.db2.gz CWZURFDCLXYQHN-XGUBFFRZSA-N 3 0 249.402 1.202 20 0 BDADRP C1[NH2+]CC12CC[C@H]([N@@H+]1CCCC[C@@]13CC[NH2+]C3)C2 ZINC001246646568 988366581 /nfs/dbraw/zinc/36/65/81/988366581.db2.gz GBPIRACEPMWVEB-ZFWWWQNUSA-N 3 0 249.402 1.347 20 0 BDADRP C[C@H]1C[C@H]([N@@H+]2CCCC23CC[NH2+]CC3)CC[NH2+]1 ZINC001246649983 988374420 /nfs/dbraw/zinc/37/44/20/988374420.db2.gz ALKNEEBHRNCOHC-QWHCGFSZSA-N 3 0 237.391 1.345 20 0 BDADRP C1CC[C@@]2(CCC[NH2+]C2)N(C2CC[NH2+]CC2)C1 ZINC001246652187 988376783 /nfs/dbraw/zinc/37/67/83/988376783.db2.gz ODQFCBRAUQSSCJ-AWEZNQCLSA-N 2 0 237.391 1.347 20 0 BDADRP CCCC[C@@H]1C[C@@H]([N@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)CC[NH2+]1 ZINC001246656139 988387062 /nfs/dbraw/zinc/38/70/62/988387062.db2.gz IVDFXZKWGJUXKH-BJJPWKGXSA-N 3 0 237.391 1.186 20 0 BDADRP CC(C)(C)[C@H]1C[C@@H](N2C[C@@H]3C[C@H]2C[NH2+]3)CC[NH2+]1 ZINC001246675247 988420204 /nfs/dbraw/zinc/42/02/04/988420204.db2.gz DZBYWKQKDBOWMD-ZDEQEGDKSA-N 2 0 237.391 1.199 20 0 BDADRP C[C@@H]1C[C@@H]([N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)CC[NH2+]1 ZINC001246679282 988425298 /nfs/dbraw/zinc/42/52/98/988425298.db2.gz TUGMSVWKWBOUSN-WYUUTHIRSA-N 2 0 222.332 1.323 20 0 BDADRP C[C@@H]1C[C@H]([NH+]2CCC(C3C[NH2+]C3)CC2)CC[NH2+]1 ZINC001246679506 988426155 /nfs/dbraw/zinc/42/61/55/988426155.db2.gz PXXRZKABZVIIMG-BXUZGUMPSA-N 3 0 237.391 1.058 20 0 BDADRP CC(C)[C@@H]1CN([C@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC001246683620 988428617 /nfs/dbraw/zinc/42/86/17/988428617.db2.gz BKFPSWBWSDAMAG-STQMWFEESA-N 2 0 225.380 1.058 20 0 BDADRP CC[C@@H](C(=O)N[C@H](C)C[NH2+]CC(C)C)[NH+](C)C ZINC001497964362 988434126 /nfs/dbraw/zinc/43/41/26/988434126.db2.gz OFZGWKCVZFAQEX-NEPJUHHUSA-N 2 0 243.395 1.077 20 0 BDADRP CC(C)[C@@H]1CN([C@@H]2CC[NH2+][C@H](C)C2)CC[NH2+]1 ZINC001246688667 988438050 /nfs/dbraw/zinc/43/80/50/988438050.db2.gz WFYNLXFNFHXOJJ-UPJWGTAASA-N 2 0 225.380 1.057 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N1C[C@H](C)[NH2+]C[C@H]1C ZINC001246688816 988438782 /nfs/dbraw/zinc/43/87/82/988438782.db2.gz HRGQVEVEXZXMGP-BFHYXJOUSA-N 2 0 241.423 1.789 20 0 BDADRP C[NH2+]Cc1ccc(N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC001246775551 988453943 /nfs/dbraw/zinc/45/39/43/988453943.db2.gz GMQSJSSEGOIZHK-BXUZGUMPSA-N 2 0 233.359 1.958 20 0 BDADRP c1cc([C@H]2CC[N@@H+](C3CC[NH2+]CC3)C2)ccn1 ZINC001246773662 988455417 /nfs/dbraw/zinc/45/54/17/988455417.db2.gz CCSCRDXLRIRUSL-ZDUSSCGKSA-N 2 0 231.343 1.623 20 0 BDADRP C[NH2+]Cc1ccc(N[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC001246777160 988456443 /nfs/dbraw/zinc/45/64/43/988456443.db2.gz KATZKJKPHAVHAD-RISCZKNCSA-N 2 0 233.359 1.958 20 0 BDADRP CC(C)CC[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C ZINC001498108713 988457499 /nfs/dbraw/zinc/45/74/99/988457499.db2.gz FXWNCFHDTZXGBX-LBPRGKRZSA-N 2 0 243.395 1.079 20 0 BDADRP C[C@H]1CC[C@@H](N(C)CCC[NH+]2CCCC2)C[NH2+]1 ZINC001246781610 988462292 /nfs/dbraw/zinc/46/22/92/988462292.db2.gz HVLWMUPPMIPWIN-UONOGXRCSA-N 2 0 239.407 1.545 20 0 BDADRP C[C@@H]1CC[C@@H](N(C)CCC[NH+]2CCCC2)C[NH2+]1 ZINC001246781611 988463938 /nfs/dbraw/zinc/46/39/38/988463938.db2.gz HVLWMUPPMIPWIN-ZIAGYGMSSA-N 2 0 239.407 1.545 20 0 BDADRP C[C@@H]1C[C@@H](N(C)CCC2CC[NH2+]CC2)C[NH2+]1 ZINC001246794519 988476371 /nfs/dbraw/zinc/47/63/71/988476371.db2.gz FQFNEQRZXZYNIL-DGCLKSJQSA-N 2 0 225.380 1.058 20 0 BDADRP CC[C@H]1CN([C@@H]2CC[NH2+]C(C)(C)C2)CC[NH2+]1 ZINC001246804615 988485317 /nfs/dbraw/zinc/48/53/17/988485317.db2.gz RJMBRADKNCNERA-NWDGAFQWSA-N 2 0 225.380 1.201 20 0 BDADRP CC(C)[C@H]1C[C@@H](N2CC[NH2+]CC2(C)C)CC[NH2+]1 ZINC001246809989 988492310 /nfs/dbraw/zinc/49/23/10/988492310.db2.gz LHPGKERPJTXYDZ-QWHCGFSZSA-N 2 0 239.407 1.447 20 0 BDADRP CCCC(CCC)N(CC[NH3+])CC[NH3+] ZINC001246831257 988524637 /nfs/dbraw/zinc/52/46/37/988524637.db2.gz MPCMZQZFMYDSQO-UHFFFAOYSA-N 2 0 201.358 1.175 20 0 BDADRP CC[C@H]1CC(N(C)[C@@H]2CC[NH2+]C2)C[C@H](CC)[NH2+]1 ZINC001246833159 988526463 /nfs/dbraw/zinc/52/64/63/988526463.db2.gz LZORWBSFRSNQEK-RWMBFGLXSA-N 2 0 239.407 1.589 20 0 BDADRP CC[C@@H](C)C[C@@H](CC)N(CC[NH3+])CC[NH3+] ZINC001246834444 988533676 /nfs/dbraw/zinc/53/36/76/988533676.db2.gz UVZSHZLTJRLBFH-VXGBXAGGSA-N 2 0 215.385 1.421 20 0 BDADRP CC[C@@H]1CCCC[N@@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246845828 988552477 /nfs/dbraw/zinc/55/24/77/988552477.db2.gz MGABMFKQSOSDOM-OLZOCXBDSA-N 2 0 237.391 1.345 20 0 BDADRP C[NH2+]CCc1c(C)nn([C@H]2CCC[NH2+]C2)c1C ZINC001246844033 988556776 /nfs/dbraw/zinc/55/67/76/988556776.db2.gz FYGTZXJNGGKFFB-LBPRGKRZSA-N 2 0 236.363 1.186 20 0 BDADRP CC[C@H]1CCCC[N@@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246845830 988557410 /nfs/dbraw/zinc/55/74/10/988557410.db2.gz MGABMFKQSOSDOM-QWHCGFSZSA-N 2 0 237.391 1.345 20 0 BDADRP CC[C@H]1CCC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246849102 988562076 /nfs/dbraw/zinc/56/20/76/988562076.db2.gz PZYRVLCPVYRDPC-QWHCGFSZSA-N 2 0 237.391 1.202 20 0 BDADRP CC[C@@H]1CCC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246849095 988563420 /nfs/dbraw/zinc/56/34/20/988563420.db2.gz PZYRVLCPVYRDPC-CHWSQXEVSA-N 2 0 237.391 1.202 20 0 BDADRP CCN(C1C[C@H](C)[NH2+][C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC001246853152 988567846 /nfs/dbraw/zinc/56/78/46/988567846.db2.gz HFNMZHWYEQWERR-RWMBFGLXSA-N 2 0 239.407 1.589 20 0 BDADRP CC[C@@H]1C[C@@H](N(CC)[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC001246853307 988568808 /nfs/dbraw/zinc/56/88/08/988568808.db2.gz UUZLJQHBJJZJMH-AGIUHOORSA-N 2 0 225.380 1.201 20 0 BDADRP CC[C@H]1C[NH2+]CCN1[C@@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246856889 988581102 /nfs/dbraw/zinc/58/11/02/988581102.db2.gz HUWKXQMFWJSDGG-MJBXVCDLSA-N 2 0 239.407 1.447 20 0 BDADRP C1C[C@]2(C[N@@H+]1C1CC[NH2+]CC1)CCCOC2 ZINC001246854605 988582887 /nfs/dbraw/zinc/58/28/87/988582887.db2.gz QJPWSPCFQXQZME-ZDUSSCGKSA-N 2 0 224.348 1.241 20 0 BDADRP COC1CCC([N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001246859330 988589545 /nfs/dbraw/zinc/58/95/45/988589545.db2.gz JUOLIAMKOGSWDZ-YWPUVAFDSA-N 2 0 224.348 1.367 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N1C[C@H]2CC[C@]2([NH3+])C1 ZINC001246861403 988597497 /nfs/dbraw/zinc/59/74/97/988597497.db2.gz PEKZVIGNTFRFQB-MJBXVCDLSA-N 2 0 239.407 1.530 20 0 BDADRP CCOC1CCC([N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)CC1 ZINC001246860586 988604558 /nfs/dbraw/zinc/60/45/58/988604558.db2.gz NHAGWQIEPHKEEN-ABXWRUBCSA-N 2 0 238.375 1.757 20 0 BDADRP C1CC2(C1)C[C@@H](N1C[C@H]3CC[C@@H](C1)[NH2+]C3)CC[NH2+]2 ZINC001246866372 988617204 /nfs/dbraw/zinc/61/72/04/988617204.db2.gz JSMCIYLGFLMBEY-IHRRRGAJSA-N 2 0 249.402 1.345 20 0 BDADRP CC[C@@H](CC(C)C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC001246870535 988628711 /nfs/dbraw/zinc/62/87/11/988628711.db2.gz LUUXWJCXLUMNRY-AWEZNQCLSA-N 2 0 241.423 1.648 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)N1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246874068 988635189 /nfs/dbraw/zinc/63/51/89/988635189.db2.gz VRDKOGAYRNRJOP-IHRRRGAJSA-N 2 0 239.407 1.530 20 0 BDADRP CC[C@@H]1C[C@@H](N2C[C@H]3C[C@@]3([NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246870887 988638501 /nfs/dbraw/zinc/63/85/01/988638501.db2.gz PONDECMRZDNBBX-RKQHYHRCSA-N 2 0 237.391 1.329 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](C)N1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246883871 988648303 /nfs/dbraw/zinc/64/83/03/988648303.db2.gz PJUNVVPQXVAOBT-XGFWRYKXSA-N 2 0 237.391 1.342 20 0 BDADRP C[C@@H]1CC(N2[C@H](C)C[NH2+]C[C@H]2C)C[C@@H](C)[NH2+]1 ZINC001246883873 988651230 /nfs/dbraw/zinc/65/12/30/988651230.db2.gz PPIIMWMWUFVJCK-DDHJBXDOSA-N 2 0 225.380 1.198 20 0 BDADRP C[C@@H]1C[C@@H](N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[C@H](C)[NH2+]1 ZINC001246881346 988651769 /nfs/dbraw/zinc/65/17/69/988651769.db2.gz MUJYQGSHDILWIQ-RVOPOGNISA-N 2 0 237.391 1.342 20 0 BDADRP CC(C)[C@@H]1[NH2+]CCc2ncn([C@H]3CCC[NH2+]C3)c21 ZINC001246882358 988651837 /nfs/dbraw/zinc/65/18/37/988651837.db2.gz HVFDZAOYGDDVEI-AAEUAGOBSA-N 2 0 248.374 1.650 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](C)N1[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246884743 988656077 /nfs/dbraw/zinc/65/60/77/988656077.db2.gz VEPVYVRAZQBNFE-UTUOFQBUSA-N 2 0 225.380 1.199 20 0 BDADRP CCN(CC[NH3+])[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246889286 988657953 /nfs/dbraw/zinc/65/79/53/988657953.db2.gz FPAFQEGMIPJPMG-RYUDHWBXSA-N 2 0 227.396 1.434 20 0 BDADRP CC[C@@H]1CC(N(CC)CC[NH2+]C)C[C@@H](CC)[NH2+]1 ZINC001246889542 988658175 /nfs/dbraw/zinc/65/81/75/988658175.db2.gz FFKKLSSQLVQVNM-CHWSQXEVSA-N 2 0 241.423 1.837 20 0 BDADRP CCOC(=O)[C@H]1CCN([C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246892369 988664825 /nfs/dbraw/zinc/66/48/25/988664825.db2.gz BQSUOGBDOLUULM-SRVKXCTJSA-N 2 0 240.347 1.012 20 0 BDADRP CCC1([NH3+])CN([C@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246894992 988665644 /nfs/dbraw/zinc/66/56/44/988665644.db2.gz RBAVJDJZLGUHMT-LBPRGKRZSA-N 2 0 237.391 1.332 20 0 BDADRP c1ccc(O[C@H]2CCN(C3CC[NH2+]CC3)C2)nc1 ZINC001246892357 988666348 /nfs/dbraw/zinc/66/63/48/988666348.db2.gz BNWPMULJPNSYLX-ZDUSSCGKSA-N 2 0 247.342 1.287 20 0 BDADRP CCCC[C@H]1CN([C@H]2CC[C@@H](C)[NH2+]C2)CC[NH2+]1 ZINC001246902650 988674559 /nfs/dbraw/zinc/67/45/59/988674559.db2.gz LNAOPDRPKCMNSQ-RDBSUJKOSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H]1C[C@@H](N2CC[C@@H]([N@H+](C)C3CC3)C2)CC[NH2+]1 ZINC001246910125 988687971 /nfs/dbraw/zinc/68/79/71/988687971.db2.gz KNDPNGYDPIATKX-KWCYVHTRSA-N 2 0 237.391 1.295 20 0 BDADRP C[C@@H]1CC(N(C)[C@]2(C)CCC[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC001246913717 988693280 /nfs/dbraw/zinc/69/32/80/988693280.db2.gz RTAODBYVFLNEBO-YRGRVCCFSA-N 2 0 239.407 1.589 20 0 BDADRP CC[N@H+](CCn1ccnc1)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246917499 988714431 /nfs/dbraw/zinc/71/44/31/988714431.db2.gz DFHBZHXNUOZRIU-QWHCGFSZSA-N 2 0 236.363 1.346 20 0 BDADRP CC[N@H+](CCC(=O)OC)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246918550 988715532 /nfs/dbraw/zinc/71/55/32/988715532.db2.gz FGPQZOLLUVRGHH-MNOVXSKESA-N 2 0 228.336 1.012 20 0 BDADRP CC[N@H+](CCn1ccnc1)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246917506 988722056 /nfs/dbraw/zinc/72/20/56/988722056.db2.gz DFHBZHXNUOZRIU-STQMWFEESA-N 2 0 236.363 1.346 20 0 BDADRP C[NH2+]C1CCC(N(C)[C@@H]2CCCC[NH2+]C2)CC1 ZINC001246920614 988725764 /nfs/dbraw/zinc/72/57/64/988725764.db2.gz OGLCKOBERYZPBV-JXQTWKCFSA-N 2 0 239.407 1.591 20 0 BDADRP CN([C@@H]1CC[NH2+]C(C)(C)C1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001246919449 988728305 /nfs/dbraw/zinc/72/83/05/988728305.db2.gz MSVJDFGZNFAXCH-JHJVBQTASA-N 2 0 239.407 1.719 20 0 BDADRP CC(C)[C@H]1C[C@H](N2CCC[C@@H]2C[NH3+])CC[NH2+]1 ZINC001246918877 988728426 /nfs/dbraw/zinc/72/84/26/988728426.db2.gz YCFJMRAGSGFDAH-JHJVBQTASA-N 2 0 225.380 1.186 20 0 BDADRP CCC[C@@H]1C[NH2+]CCN1[C@@H](C)CC[NH2+]C ZINC001246938245 988770510 /nfs/dbraw/zinc/77/05/10/988770510.db2.gz XLRMRRFYSVXDDW-NWDGAFQWSA-N 2 0 213.369 1.058 20 0 BDADRP CCCN(CCC[NH+](C)C)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246945118 988783064 /nfs/dbraw/zinc/78/30/64/988783064.db2.gz ZKDBQABQNRGXNY-KGLIPLIRSA-N 2 0 241.423 1.791 20 0 BDADRP c1ccc(N([C@@H]2CC[NH2+]C2)[C@@H]2CCC[NH2+]C2)nc1 ZINC001246957560 988786204 /nfs/dbraw/zinc/78/62/04/988786204.db2.gz BVDNNWHKVDXLPN-CHWSQXEVSA-N 2 0 246.358 1.002 20 0 BDADRP CCCN(C[C@@H]1CC[NH2+]C1)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246976490 988803642 /nfs/dbraw/zinc/80/36/42/988803642.db2.gz QRQPDRYSKBWELD-MCIONIFRSA-N 2 0 239.407 1.448 20 0 BDADRP CC[C@H]([NH3+])CN(C)[C@@H]1CC[NH2+][C@@H](CC)C1 ZINC001246975421 988803759 /nfs/dbraw/zinc/80/37/59/988803759.db2.gz UGHWCSRIYCHDHN-SDDRHHMPSA-N 2 0 213.369 1.186 20 0 BDADRP CC[C@H]([NH3+])CN(C)[C@H]1CC2CC[NH+](CC2)C1 ZINC001246976083 988806772 /nfs/dbraw/zinc/80/67/72/988806772.db2.gz XILRCKCVXNRYQF-STQMWFEESA-N 2 0 225.380 1.140 20 0 BDADRP CC[C@H]1CC(N(C)C[C@H](C)[NH3+])C[C@H](CC)[NH2+]1 ZINC001246979518 988808269 /nfs/dbraw/zinc/80/82/69/988808269.db2.gz BZVJDBKUTBZUQV-SRVKXCTJSA-N 2 0 227.396 1.575 20 0 BDADRP C[C@H]([NH3+])CN(C)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246981183 988811715 /nfs/dbraw/zinc/81/17/15/988811715.db2.gz NIFXZQIUKRGFFP-TUAOUCFPSA-N 2 0 227.396 1.432 20 0 BDADRP CC(C)(C)[C@@H]1C[C@H](N2CC[NH2+]C2)CC[NH2+]1 ZINC001246989840 988818744 /nfs/dbraw/zinc/81/87/44/988818744.db2.gz IPJFTULWRYYVIC-MNOVXSKESA-N 2 0 211.353 1.016 20 0 BDADRP CC[N@@H+]1CCN([C@@H]2CC[C@@H](C)[NH2+]C2)C(C)(C)C1 ZINC001246995967 988828259 /nfs/dbraw/zinc/82/82/59/988828259.db2.gz WSHLPLDFTKJRBW-CHWSQXEVSA-N 2 0 239.407 1.543 20 0 BDADRP C1=C2[NH2+]CCN([C@@H]3CCCC[NH2+]C3)[C@H]2CCC1 ZINC001246997175 988829161 /nfs/dbraw/zinc/82/91/61/988829161.db2.gz RBZSTEMEONGNJN-OCCSQVGLSA-N 2 0 235.375 1.470 20 0 BDADRP C[C@@H]1C[C@@H](N2CC[NH2+]C3=CCCC[C@H]32)CC[NH2+]1 ZINC001246996528 988830015 /nfs/dbraw/zinc/83/00/15/988830015.db2.gz PBGBFFFZAKGMPQ-MBNYWOFBSA-N 2 0 235.375 1.469 20 0 BDADRP CCCC[C@@H]1C[C@H](N2C[C@@H]([NH3+])C[C@H]2C)CC[NH2+]1 ZINC001246999089 988831039 /nfs/dbraw/zinc/83/10/39/988831039.db2.gz QPBIIIAYQRSWTQ-XJFOESAGSA-N 2 0 239.407 1.719 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CN1[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001247000216 988832109 /nfs/dbraw/zinc/83/21/09/988832109.db2.gz VDOHCVGBDJOJCF-VOAKCMCISA-N 2 0 239.407 1.575 20 0 BDADRP CCCC[C@@H]1C[C@@H](N2C[C@@H]([NH3+])C[C@H]2C)CC[NH2+]1 ZINC001246999088 988832891 /nfs/dbraw/zinc/83/28/91/988832891.db2.gz QPBIIIAYQRSWTQ-RQJABVFESA-N 2 0 239.407 1.719 20 0 BDADRP O=C1CCC[C@@H]2C[N@@H+](C3CC[NH2+]CC3)C[C@@H]12 ZINC001247005641 988834626 /nfs/dbraw/zinc/83/46/26/988834626.db2.gz QUQSOLVXQVMFKS-ZYHUDNBSSA-N 2 0 222.332 1.039 20 0 BDADRP CC1(C)C[C@H]([N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)CO1 ZINC001247016154 988843220 /nfs/dbraw/zinc/84/32/20/988843220.db2.gz SAODTXBAROGNRD-AGIUHOORSA-N 2 0 238.375 1.628 20 0 BDADRP Cc1ccc2c(c1)nc(C[NH3+])n2C1CC[NH2+]CC1 ZINC001247039972 988844304 /nfs/dbraw/zinc/84/43/04/988844304.db2.gz MIRXWKLTUSFGFV-UHFFFAOYSA-N 2 0 244.342 1.728 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C2CCC1(CO)CC2 ZINC000722987112 989055414 /nfs/dbraw/zinc/05/54/14/989055414.db2.gz SZOPZLILGPTXAV-IYXRBSQSSA-N 2 0 238.375 1.460 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@H](CCO)C2CC2)CC1 ZINC001325742054 989247020 /nfs/dbraw/zinc/24/70/20/989247020.db2.gz AGHKFKDAKXIINU-KGPNIALWSA-N 2 0 226.364 1.255 20 0 BDADRP C[C@@H]1CCCN1CC[NH2+]C1CCC(C[NH3+])CC1 ZINC001325744290 989249576 /nfs/dbraw/zinc/24/95/76/989249576.db2.gz TUZDFIPDIBQZIN-IYXRBSQSSA-N 2 0 239.407 1.578 20 0 BDADRP CC(C)[C@@H](N)c1nc([C@@H](N)c2ccccc2)no1 ZINC001326204515 989423344 /nfs/dbraw/zinc/42/33/44/989423344.db2.gz SGYVXVFFWINUPJ-MNOVXSKESA-N 2 0 246.314 1.774 20 0 BDADRP CC[N@@H+]1CCC[C@@H](CNc2cc[nH+]c(CO)c2)C1 ZINC001120007046 989560946 /nfs/dbraw/zinc/56/09/46/989560946.db2.gz FUXRMGQYQCPMCG-LBPRGKRZSA-N 2 0 249.358 1.718 20 0 BDADRP O[C@H](C[NH2+]CCCC(F)F)C[NH+]1CCCC1 ZINC001120278361 989626591 /nfs/dbraw/zinc/62/65/91/989626591.db2.gz ZJTCNXGQUFFODH-SNVBAGLBSA-N 2 0 236.306 1.078 20 0 BDADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH3+])CC ZINC001326688136 989652037 /nfs/dbraw/zinc/65/20/37/989652037.db2.gz OYLQGKQWCWHIGD-VXGBXAGGSA-N 2 0 241.379 1.104 20 0 BDADRP C[NH2+][C@@H](C)CCNC(=O)[C@@H]([NH3+])c1ccccc1C ZINC001326781212 989700458 /nfs/dbraw/zinc/70/04/58/989700458.db2.gz QIXUNSUPBIOAGE-AAEUAGOBSA-N 2 0 249.358 1.109 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001522512515 989860062 /nfs/dbraw/zinc/86/00/62/989860062.db2.gz ROTWJOALUZFDMP-SNVBAGLBSA-N 2 0 247.342 1.616 20 0 BDADRP CC(C)C[N@@H+]1CCO[C@H](CNc2cc[nH+]cc2)C1 ZINC001120779212 989874762 /nfs/dbraw/zinc/87/47/62/989874762.db2.gz BMEBCXFYJXLRLT-CQSZACIVSA-N 2 0 249.358 1.272 20 0 BDADRP CCC[N@@H+]1CCC[C@H]1CNc1nccnc1C[NH3+] ZINC001120850481 989920148 /nfs/dbraw/zinc/92/01/48/989920148.db2.gz YWACKBGXJXNJCE-NSHDSACASA-N 2 0 249.362 1.222 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001523524625 989929075 /nfs/dbraw/zinc/92/90/75/989929075.db2.gz DKDQSYIMKJBKFB-YPMHNXCESA-N 2 0 241.379 1.152 20 0 BDADRP C[C@@H]1C[C@H](C(=O)Nc2ccccc2C[NH3+])CC[NH2+]1 ZINC001523617216 989942869 /nfs/dbraw/zinc/94/28/69/989942869.db2.gz OGPIWBVLYKRBLE-GHMZBOCLSA-N 2 0 247.342 1.472 20 0 BDADRP CC[NH+](CC)CC[C@H](C)NC(=O)C(C)(C)C[NH3+] ZINC001523913731 989959842 /nfs/dbraw/zinc/95/98/42/989959842.db2.gz QSFWYUNQWBZWEC-NSHDSACASA-N 2 0 243.395 1.208 20 0 BDADRP CC(C)C[C@](C)(C[NH3+])C(=O)N(C)CC(C)(C)[NH3+] ZINC001122135113 990252233 /nfs/dbraw/zinc/25/22/33/990252233.db2.gz FQXGOSCAFXDQPZ-CYBMUJFWSA-N 2 0 243.395 1.193 20 0 BDADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccccc1C[NH3+] ZINC001122346112 990349035 /nfs/dbraw/zinc/34/90/35/990349035.db2.gz HOBWNANIYCXCPI-ONGXEEELSA-N 2 0 233.315 1.082 20 0 BDADRP C[N@@H+]1CC[C@H](CC(=O)Nc2ccccc2C[NH3+])C1 ZINC001122346050 990349099 /nfs/dbraw/zinc/34/90/99/990349099.db2.gz FSUYXBRELOQSQM-LLVKDONJSA-N 2 0 247.342 1.426 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccccc1C[NH3+] ZINC001122346109 990350640 /nfs/dbraw/zinc/35/06/40/990350640.db2.gz HOBWNANIYCXCPI-GXSJLCMTSA-N 2 0 233.315 1.082 20 0 BDADRP [NH3+]Cc1ccccc1NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC001122346791 990352303 /nfs/dbraw/zinc/35/23/03/990352303.db2.gz ZSJVGSDABPEODK-LLVKDONJSA-N 2 0 247.342 1.474 20 0 BDADRP CC(C)=CCC[C@@H](C)NC(=[NH2+])NCCCC[NH3+] ZINC001258075349 990973075 /nfs/dbraw/zinc/97/30/75/990973075.db2.gz AEUWMBFTSPHTBL-GFCCVEGCSA-N 2 0 240.395 1.974 20 0 BDADRP Cn1ccc(CNCc2ccc3c[nH+]cn3c2)n1 ZINC001308431186 990991826 /nfs/dbraw/zinc/99/18/26/990991826.db2.gz MUJTWZUHNCKHSJ-UHFFFAOYSA-N 2 0 241.298 1.358 20 0 BDADRP C[NH+](C)CCOc1ccc(C[NH+](C)C)cc1 ZINC001138768820 991035359 /nfs/dbraw/zinc/03/53/59/991035359.db2.gz CJUOZJKGRVEASG-UHFFFAOYSA-N 2 0 222.332 1.689 20 0 BDADRP C[C@@H]1CC([NH2+]CCN(C)CC[NH3+])C[C@@H](C)C1 ZINC001258156968 991044330 /nfs/dbraw/zinc/04/43/30/991044330.db2.gz WMFSBFFWHRQMOR-RYUDHWBXSA-N 2 0 227.396 1.291 20 0 BDADRP CC[NH+]1CCC(C[N@H+](C)CC2CC(O)C2)CC1 ZINC001308693242 991101383 /nfs/dbraw/zinc/10/13/83/991101383.db2.gz BKWHKANOSFYZSP-UHFFFAOYSA-N 2 0 240.391 1.421 20 0 BDADRP CSCC[C@H](C)[NH+]1CCN(CCC[NH3+])CC1 ZINC001258205549 991125153 /nfs/dbraw/zinc/12/51/53/991125153.db2.gz JQBWENMXMWYTLI-LBPRGKRZSA-N 2 0 245.436 1.094 20 0 BDADRP CC[N@@H+]1CCC[C@@H](N[C@@H](C)C[NH+](C)C(C)C)C1 ZINC001308803367 991140549 /nfs/dbraw/zinc/14/05/49/991140549.db2.gz WEJRBJFMDGLDKB-UONOGXRCSA-N 2 0 241.423 1.789 20 0 BDADRP CN(CC[NH3+])CC[NH2+][C@H]1CCCC(C)(C)C1 ZINC001258279669 991208814 /nfs/dbraw/zinc/20/88/14/991208814.db2.gz MYKDUAALLDZTNZ-LBPRGKRZSA-N 2 0 227.396 1.435 20 0 BDADRP CC(C)OC[C@@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001308983621 991250086 /nfs/dbraw/zinc/25/00/86/991250086.db2.gz GHEIQXQJHIXDCO-AAVRWANBSA-N 2 0 240.391 1.730 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(=O)[nH]c1)CC2 ZINC001139469558 991251368 /nfs/dbraw/zinc/25/13/68/991251368.db2.gz XDGRKSSNTRGBPP-UHFFFAOYSA-N 2 0 247.342 1.315 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H](C)COC(C)=O ZINC001308987710 991254803 /nfs/dbraw/zinc/25/48/03/991254803.db2.gz MDUAPUDSKDZFCF-NEPJUHHUSA-N 2 0 244.379 1.648 20 0 BDADRP COC(=O)CC[C@H](C)[NH2+]C(C)(C)CC[NH+](C)C ZINC001258352930 991290140 /nfs/dbraw/zinc/29/01/40/991290140.db2.gz KFBDKSRZSOSOSF-NSHDSACASA-N 2 0 244.379 1.648 20 0 BDADRP COC(=O)CC[C@H](C)[NH2+]C(C)(C)C(C)(C)[NH3+] ZINC001258358900 991297727 /nfs/dbraw/zinc/29/77/27/991297727.db2.gz MLSMRTOUUQLWCT-VIFPVBQESA-N 2 0 230.352 1.434 20 0 BDADRP COC(=O)CC[C@@H](C)[NH+]1CCC(C)([NH3+])CC1 ZINC001258360600 991300396 /nfs/dbraw/zinc/30/03/96/991300396.db2.gz ORWYGPLHSBCYGK-SNVBAGLBSA-N 2 0 228.336 1.141 20 0 BDADRP CCCCC[C@H](CC)[NH2+]C[C@H](O)C[NH3+] ZINC001258430283 991360380 /nfs/dbraw/zinc/36/03/80/991360380.db2.gz LKKRKSJUMQVJJR-WDEREUQCSA-N 2 0 202.342 1.255 20 0 BDADRP CCCCC[C@@H](CC)[NH+]1CCN(CC[NH3+])CC1 ZINC001258429473 991360391 /nfs/dbraw/zinc/36/03/91/991360391.db2.gz XQFVWUZGLLKMPT-CQSZACIVSA-N 2 0 241.423 1.922 20 0 BDADRP CC[NH+](CC)CCN(CC[NH3+])[C@H](C)CC1CC1 ZINC001258450923 991401305 /nfs/dbraw/zinc/40/13/05/991401305.db2.gz CUVHNCMBXLOHAH-CYBMUJFWSA-N 2 0 241.423 1.778 20 0 BDADRP C[C@H](CC1CC1)[NH2+]CCSCC[NH3+] ZINC001258454335 991406800 /nfs/dbraw/zinc/40/68/00/991406800.db2.gz JYQATDOYBUAFMN-SECBINFHSA-N 2 0 202.367 1.457 20 0 BDADRP C[C@H](CC1CC1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001258473594 991446622 /nfs/dbraw/zinc/44/66/22/991446622.db2.gz OSLKMRRDYLIFCE-RTXFEEFZSA-N 2 0 208.349 1.668 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH3+])CC(C)(C)C1 ZINC001258685551 991618250 /nfs/dbraw/zinc/61/82/50/991618250.db2.gz OTHWLLIXVBAKTE-OUAUKWLOSA-N 2 0 214.353 1.110 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCOCC[NH3+])CC(C)(C)C1 ZINC001258686650 991619156 /nfs/dbraw/zinc/61/91/56/991619156.db2.gz ILLPVYLQJKKFJT-NEPJUHHUSA-N 2 0 228.380 1.766 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+](Cc1ccncn1)CC2 ZINC001140351325 991625786 /nfs/dbraw/zinc/62/57/86/991625786.db2.gz WAXWGBRCAABZMM-UHFFFAOYSA-N 2 0 232.331 1.004 20 0 BDADRP C[C@@]1(F)CC[N@H+](CCCC[NH3+])C[C@H]1F ZINC001206743541 991634428 /nfs/dbraw/zinc/63/44/28/991634428.db2.gz ACFHSVQOGBANOW-NXEZZACHSA-N 2 0 206.280 1.497 20 0 BDADRP C[C@@]1(F)CC[N@H+](CCCC[NH3+])C[C@@H]1F ZINC001206743543 991634838 /nfs/dbraw/zinc/63/48/38/991634838.db2.gz ACFHSVQOGBANOW-VHSXEESVSA-N 2 0 206.280 1.497 20 0 BDADRP CCC[NH+]1CCC(n2ccnc2CC[NH3+])CC1 ZINC001258764882 991727076 /nfs/dbraw/zinc/72/70/76/991727076.db2.gz TVZKFTLYQDVEQP-UHFFFAOYSA-N 2 0 236.363 1.431 20 0 BDADRP CCC[NH+]1CCC(N2C[C@@H]3C[C@H]2C[N@@H+]3C)CC1 ZINC001258775937 991745537 /nfs/dbraw/zinc/74/55/37/991745537.db2.gz LJSIJLHSVQTACG-KBPBESRZSA-N 2 0 237.391 1.249 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C1CN(C)C1 ZINC001258899667 991888210 /nfs/dbraw/zinc/88/82/10/991888210.db2.gz OIPWZCCYTHMWST-LBPRGKRZSA-N 2 0 227.396 1.401 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CC[C@@H](O)C1 ZINC001258897767 991890665 /nfs/dbraw/zinc/89/06/65/991890665.db2.gz OMMNIEFVWQGQOO-MELADBBJSA-N 2 0 242.407 2.000 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CC[C@H](O)C1 ZINC001258897766 991892833 /nfs/dbraw/zinc/89/28/33/991892833.db2.gz OMMNIEFVWQGQOO-IHRRRGAJSA-N 2 0 242.407 2.000 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C1CC(CO)C1 ZINC001258899152 991896472 /nfs/dbraw/zinc/89/64/72/991896472.db2.gz GPVYJYCLFFTODV-HSBZDZAISA-N 2 0 242.407 1.857 20 0 BDADRP C[NH2+][C@@H](C)CC[NH2+]C1CCSCC1 ZINC001261422654 992298270 /nfs/dbraw/zinc/29/82/70/992298270.db2.gz BXWNVPSDUWERID-VIFPVBQESA-N 2 0 202.367 1.470 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)NCc1ccccc1C[NH3+] ZINC001261491876 992339068 /nfs/dbraw/zinc/33/90/68/992339068.db2.gz JLAYNENRLIWFSU-CQSZACIVSA-N 2 0 249.358 1.279 20 0 BDADRP CC[N@@H+]1CCC[C@H](CNC2=[NH+]CCCCN2)C1 ZINC001261577558 992400074 /nfs/dbraw/zinc/40/00/74/992400074.db2.gz CBLKFFMXOFKJOC-GFCCVEGCSA-N 2 0 238.379 1.047 20 0 BDADRP C1C[C@H](C2CC[NH+]([C@H]3CCOC3)CC2)C[NH2+]1 ZINC001574774354 992903959 /nfs/dbraw/zinc/90/39/59/992903959.db2.gz LAIFFTKLDLOLTP-STQMWFEESA-N 2 0 224.348 1.097 20 0 BDADRP C(NC[C@H]1CC[N@@H+]1C1CCCCC1)C1C[NH2+]C1 ZINC001574794566 992907492 /nfs/dbraw/zinc/90/74/92/992907492.db2.gz DWNORYCRNKSSME-CQSZACIVSA-N 2 0 237.391 1.202 20 0 BDADRP C(C1=NOCC1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001574800520 992915861 /nfs/dbraw/zinc/91/58/61/992915861.db2.gz JFABOBRCANADRZ-CYBMUJFWSA-N 2 0 237.347 1.227 20 0 BDADRP C([NH2+][C@@H]1CCC[C@]12CCCO2)[C@@H]1CCC[NH2+]C1 ZINC001574816710 992917742 /nfs/dbraw/zinc/91/77/42/992917742.db2.gz KSJVDKSLVKNAOM-MCIONIFRSA-N 2 0 238.375 1.677 20 0 BDADRP CC(C)CC[C@H](O)C[NH2+]CC1CC[NH+](C)CC1 ZINC001262563522 992917846 /nfs/dbraw/zinc/91/78/46/992917846.db2.gz HNMNUETXRMZCRT-AWEZNQCLSA-N 2 0 242.407 1.715 20 0 BDADRP C(CC1C[NH2+]C1)[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC001574816897 992918187 /nfs/dbraw/zinc/91/81/87/992918187.db2.gz OLLZEEDSFPCTPL-OLZOCXBDSA-N 2 0 224.348 1.287 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)[C@H](C)O ZINC001262570184 992927787 /nfs/dbraw/zinc/92/77/87/992927787.db2.gz PMJFKNBAHYMOIJ-MBNYWOFBSA-N 2 0 240.391 1.467 20 0 BDADRP C=Cn1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cn1 ZINC001574962313 992950827 /nfs/dbraw/zinc/95/08/27/992950827.db2.gz JHCKWCLONXYSCY-ZYHUDNBSSA-N 2 0 220.320 1.010 20 0 BDADRP C/C(=C/c1ccccc1)C[N@H+](C)CCOCC[NH3+] ZINC001574980972 992959214 /nfs/dbraw/zinc/95/92/14/992959214.db2.gz WQKMALDCSDSYOM-OWBHPGMISA-N 2 0 248.370 1.997 20 0 BDADRP CC(C)(C[NH2+][C@H]1C[C@H]([NH3+])C1)Oc1ccccc1 ZINC001575334481 993013565 /nfs/dbraw/zinc/01/35/65/993013565.db2.gz LEEQIBGZLAWPCR-HAQNSBGRSA-N 2 0 234.343 1.923 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1cc[nH+]cc1 ZINC001262686406 993026453 /nfs/dbraw/zinc/02/64/53/993026453.db2.gz IVPZJJQCKCSVPF-MFKMUULPSA-N 2 0 217.316 1.398 20 0 BDADRP CC(C)(O)CC[N@@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001575379740 993031675 /nfs/dbraw/zinc/03/16/75/993031675.db2.gz KBHCAFXVTGPUPT-AWEZNQCLSA-N 2 0 240.391 1.756 20 0 BDADRP CC(C)=CCC[NH+]1CCC2(CC1)C[NH2+]CCO2 ZINC001575391241 993034545 /nfs/dbraw/zinc/03/45/45/993034545.db2.gz HYOUDWAGOLWRHU-UHFFFAOYSA-N 2 0 238.375 1.797 20 0 BDADRP CC(C)C[N@H+](C)CCCNc1cc[nH+]c(N)n1 ZINC001262700873 993040334 /nfs/dbraw/zinc/04/03/34/993040334.db2.gz UXYNOGKHRBSQHY-UHFFFAOYSA-N 2 0 237.351 1.449 20 0 BDADRP CC(C)[C@@H](O)CC[N@H+](C)CC1CC[NH2+]CC1 ZINC001575470596 993051580 /nfs/dbraw/zinc/05/15/80/993051580.db2.gz DAXJHMXGINSGDZ-ZDUSSCGKSA-N 2 0 228.380 1.325 20 0 BDADRP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)CCO1 ZINC001575498224 993058170 /nfs/dbraw/zinc/05/81/70/993058170.db2.gz JPXLFXIBOOCRHN-CRWXNKLISA-N 2 0 240.391 1.907 20 0 BDADRP CC(C)CC[C@H](O)C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001575565732 993071362 /nfs/dbraw/zinc/07/13/62/993071362.db2.gz OPROINVVOLLRIH-RDBSUJKOSA-N 2 0 240.391 1.325 20 0 BDADRP CC(C)C[NH+]1CCC(NCC(C)(C)[NH3+])CC1 ZINC001575599515 993079714 /nfs/dbraw/zinc/07/97/14/993079714.db2.gz CSZNXNNIVQYOBB-UHFFFAOYSA-N 2 0 227.396 1.434 20 0 BDADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001575699758 993097699 /nfs/dbraw/zinc/09/76/99/993097699.db2.gz KRAZUAGIKWJWQF-MJBXVCDLSA-N 2 0 237.391 1.295 20 0 BDADRP CC(C)[N@@H+]1CCCC[C@H]1CN(C)CC(C)(C)[NH3+] ZINC001575701011 993099062 /nfs/dbraw/zinc/09/90/62/993099062.db2.gz UPWLLPGMAMAYHK-ZDUSSCGKSA-N 2 0 241.423 1.918 20 0 BDADRP CC(C)OC1CC(N(C)CC(C)(C)[NH3+])C1 ZINC001575748331 993104671 /nfs/dbraw/zinc/10/46/71/993104671.db2.gz AMTWFFBCGWFGLU-UHFFFAOYSA-N 2 0 214.353 1.612 20 0 BDADRP C[NH2+]CCCCC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC001263110389 993120771 /nfs/dbraw/zinc/12/07/71/993120771.db2.gz UYZVZCRLPRXSKK-GFCCVEGCSA-N 2 0 241.379 1.025 20 0 BDADRP C[C@@H](CC1CCCC1)[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC001575934434 993133900 /nfs/dbraw/zinc/13/39/00/993133900.db2.gz PXMLRUYCYAEAMG-CYZMBNFOSA-N 2 0 226.364 1.125 20 0 BDADRP C[C@@H](C[C@H]1CCOC1)[NH2+]CC1([NH3+])CCC1 ZINC001575941000 993134000 /nfs/dbraw/zinc/13/40/00/993134000.db2.gz GMBRSOJLJYONAI-WDEREUQCSA-N 2 0 212.337 1.273 20 0 BDADRP C[C@@H](CCO)[NH2+]CC[C@@H]([NH3+])Cc1ccccc1 ZINC001575967387 993142981 /nfs/dbraw/zinc/14/29/81/993142981.db2.gz MXGFJQFHBRDZKE-GXTWGEPZSA-N 2 0 236.359 1.307 20 0 BDADRP C[C@H](CCn1cccn1)[NH2+][C@H]1CC[NH2+][C@@H]1C ZINC001575971975 993145132 /nfs/dbraw/zinc/14/51/32/993145132.db2.gz JLSSMPOLQPEGCL-UTUOFQBUSA-N 2 0 222.336 1.002 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]Cc1cc(-c2ccccn2)n[nH]1 ZINC001575989113 993151050 /nfs/dbraw/zinc/15/10/50/993151050.db2.gz RAUDHYQKPMLLGU-JTQLQIEISA-N 2 0 245.330 1.156 20 0 BDADRP C[C@H](C[NH2+]C[C@@H](N)CC(F)F)Cn1ccnc1 ZINC001576032533 993161848 /nfs/dbraw/zinc/16/18/48/993161848.db2.gz GPTNRERZTUNFGT-ZJUUUORDSA-N 3 0 246.305 1.091 20 0 BDADRP C[C@@H](CNCC12CC(C1)C[NH2+]2)[NH+]1CCCCC1 ZINC001576032253 993163117 /nfs/dbraw/zinc/16/31/17/993163117.db2.gz AJUXOXOXFGHOIA-HSBZDZAISA-N 2 0 237.391 1.202 20 0 BDADRP C[C@H](Cc1ccno1)[NH2+]CCC1(C[NH3+])CC1 ZINC001576066652 993170822 /nfs/dbraw/zinc/17/08/22/993170822.db2.gz QCIDLICZWPHPQG-SNVBAGLBSA-N 2 0 223.320 1.324 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+]C1CC2(CC([NH3+])C2)C1 ZINC001576073572 993172267 /nfs/dbraw/zinc/17/22/67/993172267.db2.gz XTPNBYVYYLCNDP-PEWWYSNMSA-N 2 0 234.347 1.131 20 0 BDADRP C[C@@H]([NH3+])C[N@@H+]1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1 ZINC001576156850 993195752 /nfs/dbraw/zinc/19/57/52/993195752.db2.gz LFYOINIHVBUXEI-RXGFPQBGSA-N 2 0 208.349 1.702 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2cnn(C)c2)cc1 ZINC001576170240 993202653 /nfs/dbraw/zinc/20/26/53/993202653.db2.gz WYDMADDWFHUIIJ-LLVKDONJSA-N 2 0 244.342 1.730 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC[NH2+][C@@H]1C)C1CCOCC1 ZINC001576252796 993219544 /nfs/dbraw/zinc/21/95/44/993219544.db2.gz TXHMITURNDSSDU-FOGDFJRCSA-N 2 0 212.337 1.142 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)[C@H]1COC(C)(C)O1 ZINC001576240479 993228147 /nfs/dbraw/zinc/22/81/47/993228147.db2.gz ZRFXFHMKXFTUNL-SDDRHHMPSA-N 2 0 242.363 1.258 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[NH2+]CC1)[C@@H]1CCCCO1 ZINC001576243452 993228728 /nfs/dbraw/zinc/22/87/28/993228728.db2.gz CJWVAZZCGHQFFF-IHRRRGAJSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CC[C@@H]([NH3+])C1)c1cnccn1 ZINC001576244560 993229073 /nfs/dbraw/zinc/22/90/73/993229073.db2.gz LOMVVAFBCDAAJU-OUAUKWLOSA-N 2 0 220.320 1.255 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC[C@H]([NH3+])CC1)[C@H]1COC(C)(C)O1 ZINC001576253551 993237895 /nfs/dbraw/zinc/23/78/95/993237895.db2.gz ZVPZRQWUWSMUIG-DDHJBXDOSA-N 2 0 242.363 1.386 20 0 BDADRP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000379548504 993254038 /nfs/dbraw/zinc/25/40/38/993254038.db2.gz JFLQUIVZJAZKTP-UTUOFQBUSA-N 2 0 240.391 1.323 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001576380560 993283947 /nfs/dbraw/zinc/28/39/47/993283947.db2.gz UNHBTLRZPDXCMR-VPJKUYQRSA-N 2 0 210.321 1.022 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1ccc2c[nH]nc2c1 ZINC001576380282 993285007 /nfs/dbraw/zinc/28/50/07/993285007.db2.gz MLAOSNRUNMXPEK-OLZOCXBDSA-N 2 0 244.342 1.778 20 0 BDADRP CC1(C)[C@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2O)C[C@@H]1[NH3+] ZINC001576380542 993285566 /nfs/dbraw/zinc/28/55/66/993285566.db2.gz UIEAJUYJQOFYEU-XJFOESAGSA-N 2 0 246.354 1.360 20 0 BDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]C[C@H](O)Cc1ccccc1 ZINC001576380524 993287344 /nfs/dbraw/zinc/28/73/44/993287344.db2.gz TWUWCNWXICBORD-RDBSUJKOSA-N 2 0 248.370 1.305 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC1(C2(O)CCC2)CC1 ZINC001576381629 993290601 /nfs/dbraw/zinc/29/06/01/993290601.db2.gz CDOBWKQJYLJRNC-MNOVXSKESA-N 2 0 238.375 1.397 20 0 BDADRP CC1(C)C[C@@H]([NH2+]C2CC3(CC([NH3+])C3)C2)CO1 ZINC001576394560 993294013 /nfs/dbraw/zinc/29/40/13/993294013.db2.gz QRPLEEZGMQPOEV-XPOXDWOYSA-N 2 0 224.348 1.413 20 0 BDADRP CC1(C)C[C@H]([NH2+]C2CC3(C[C@H]3[NH3+])C2)CCO1 ZINC001576393871 993294306 /nfs/dbraw/zinc/29/43/06/993294306.db2.gz MVFMEDMYAHEVMU-YLXHPXFOSA-N 2 0 224.348 1.413 20 0 BDADRP CC1(C)C[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])CO1 ZINC001576394167 993296941 /nfs/dbraw/zinc/29/69/41/993296941.db2.gz NKKKPVHVGYEZIO-HBNTYKKESA-N 2 0 212.337 1.413 20 0 BDADRP CC1(C)CC[C@H](CO)[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001576420908 993299501 /nfs/dbraw/zinc/29/95/01/993299501.db2.gz BBRSXEHVOGYKOD-YNEHKIRRSA-N 2 0 240.391 1.597 20 0 BDADRP CC1(C)CCC[N@@H+]1CCN[C@H]1CCC[NH2+]C1 ZINC001576434351 993304135 /nfs/dbraw/zinc/30/41/35/993304135.db2.gz RYXLNDUBWRRPGK-LBPRGKRZSA-N 2 0 225.380 1.202 20 0 BDADRP C[C@]1(C[NH2+]CC23CC(C2)C[NH2+]3)CCCC[C@H]1O ZINC001576518582 993327896 /nfs/dbraw/zinc/32/78/96/993327896.db2.gz ARMAGBGFMCBCFX-CEUNDQEZSA-N 2 0 238.375 1.269 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CCCOC2)CCC[NH2+]C1 ZINC001576520136 993331728 /nfs/dbraw/zinc/33/17/28/993331728.db2.gz ZANGWJJVGAQOKG-NEPJUHHUSA-N 2 0 212.337 1.145 20 0 BDADRP C[C@@H]1[C@H](CO)CC[N@@H+]1C[C@]1(C)CCC[NH2+]C1 ZINC001576572303 993349824 /nfs/dbraw/zinc/34/98/24/993349824.db2.gz KOCRCHYSYNXENY-FRRDWIJNSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H]1[C@H](CO)CC[N@@H+]1C[C@H]1CCCC[NH2+]C1 ZINC001576574809 993350145 /nfs/dbraw/zinc/35/01/45/993350145.db2.gz YUIDATYYBBHZBL-AGIUHOORSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@H]1[C@@H](CO)CCC[N@@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576573616 993350458 /nfs/dbraw/zinc/35/04/58/993350458.db2.gz SRJRBWFCJSGPEC-WUHRBBMRSA-N 2 0 226.364 1.207 20 0 BDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CC[NH2+][C@H]3C[C@H]32)C1 ZINC001576590803 993360777 /nfs/dbraw/zinc/36/07/77/993360777.db2.gz CTKNJIOFPAZZHV-RFQIPJPRSA-N 2 0 237.391 1.010 20 0 BDADRP C[C@@H]1C[C@@H](C[N@H+](C)CC2CC[NH2+]CC2)CCO1 ZINC001576597095 993361855 /nfs/dbraw/zinc/36/18/55/993361855.db2.gz DIOLORHEFLMEAE-OCCSQVGLSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H]1C[C@H](N[C@]23CCC[C@H]2[NH2+]CC3)CC[N@@H+]1C ZINC001576622183 993372577 /nfs/dbraw/zinc/37/25/77/993372577.db2.gz AVFAORAMTVDTIH-DGAVXFQQSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+]CC2)CO1 ZINC001576622623 993372600 /nfs/dbraw/zinc/37/26/00/993372600.db2.gz FUDWTHCBQCOMOS-UTUOFQBUSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC001576623982 993374142 /nfs/dbraw/zinc/37/41/42/993374142.db2.gz NPUHFCDOYVARFE-WUHRBBMRSA-N 3 0 225.380 1.186 20 0 BDADRP CCOCCC[NH2+]C1CCC([NH+](C)C)CC1 ZINC000381336373 993387415 /nfs/dbraw/zinc/38/74/15/993387415.db2.gz VVUBVLHLZWFMKW-UHFFFAOYSA-N 2 0 228.380 1.875 20 0 BDADRP C[C@H]1CCC[C@]1(O)C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001576679215 993391363 /nfs/dbraw/zinc/39/13/63/993391363.db2.gz AUQLHYCKMUAGJX-XQQFMLRXSA-N 2 0 226.364 1.127 20 0 BDADRP CC1CC[NH+](CCN(C)C[C@H]2CC[NH2+]2)CC1 ZINC001576731584 993408462 /nfs/dbraw/zinc/40/84/62/993408462.db2.gz MDKJYXGMEOKJKH-CYBMUJFWSA-N 2 0 225.380 1.012 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CCCC[NH2+]C2)C[C@@]1(C)CO ZINC001576800577 993424819 /nfs/dbraw/zinc/42/48/19/993424819.db2.gz KHOQLFUDCWQQGV-RDBSUJKOSA-N 2 0 240.391 1.326 20 0 BDADRP C[C@H]1C[N@H+](C[C@@H]2C[C@H]2c2cnn(C)c2)CC[C@@H]1[NH3+] ZINC001576806040 993426319 /nfs/dbraw/zinc/42/63/19/993426319.db2.gz ALWITKBWAFVTNM-VTPLQMEGSA-N 2 0 248.374 1.193 20 0 BDADRP C[C@H]1COCC[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001576855688 993436733 /nfs/dbraw/zinc/43/67/33/993436733.db2.gz VQXLBMVSEUHDDO-GRYCIOLGSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@H]1COCC[C@@H]1[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576855587 993437622 /nfs/dbraw/zinc/43/76/22/993437622.db2.gz UWOQUDAQCSWHMY-YFKTTZPYSA-N 2 0 212.337 1.128 20 0 BDADRP C[C@H]1Cc2n[nH]cc2C[N@@H+](CCC2C[NH2+]C2)C1 ZINC001576861351 993439289 /nfs/dbraw/zinc/43/92/89/993439289.db2.gz CRXZZYRNBDATKC-JTQLQIEISA-N 2 0 234.347 1.013 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc2c[nH+]cn2c1 ZINC001576886134 993444028 /nfs/dbraw/zinc/44/40/28/993444028.db2.gz ODYXLPYMNBXZHQ-JOYOIKCWSA-N 2 0 244.298 1.271 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1C2CCC1(C[NH3+])CC2 ZINC001576904245 993450413 /nfs/dbraw/zinc/45/04/13/993450413.db2.gz SSUTZNQPOVTHAN-ZFDZMSFRSA-N 2 0 224.348 1.367 20 0 BDADRP C[C@H]1OCC[C@H]1C[N@H+](C)CC1CC[NH2+]CC1 ZINC001576903409 993451566 /nfs/dbraw/zinc/45/15/66/993451566.db2.gz JJHNBINOGXHGGE-YPMHNXCESA-N 2 0 226.364 1.343 20 0 BDADRP C/C=C\C[C@H](CO)[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC001576914762 993452770 /nfs/dbraw/zinc/45/27/70/993452770.db2.gz NGOIACOOZCYFJS-LOTCAWRZSA-N 2 0 212.337 1.029 20 0 BDADRP CC[C@@H](C)[C@H](C(=O)OC)[NH+]1CCC(C[NH3+])CC1 ZINC001576966784 993473382 /nfs/dbraw/zinc/47/33/82/993473382.db2.gz LIINLVKZYKEKHA-ZYHUDNBSSA-N 2 0 242.363 1.245 20 0 BDADRP CCC(CC)[N@H+](CC)C[C@@H](O)CC[NH3+] ZINC001577069703 993491911 /nfs/dbraw/zinc/49/19/11/993491911.db2.gz RRKWGMYELPBLEZ-NSHDSACASA-N 2 0 202.342 1.207 20 0 BDADRP CC[C@H](CSC)[NH2+]C[C@@H]([NH3+])CCOC ZINC001577092847 993503617 /nfs/dbraw/zinc/50/36/17/993503617.db2.gz JIZYJLLLYCNXJV-VHSXEESVSA-N 2 0 220.382 1.081 20 0 BDADRP Cc1nc2c(n1[C@@H]1CCC[N@@H+](C)C1)C[NH2+]CC2 ZINC000383941423 993529449 /nfs/dbraw/zinc/52/94/49/993529449.db2.gz VFGJAEBAMIHEKR-LLVKDONJSA-N 2 0 234.347 1.104 20 0 BDADRP CC[C@H]([NH2+]C[C@H]([NH3+])CCOC)[C@@H]1CCCCO1 ZINC001577176216 993534655 /nfs/dbraw/zinc/53/46/55/993534655.db2.gz WGFWGMXWRYPSHV-AGIUHOORSA-N 2 0 244.379 1.288 20 0 BDADRP CCC1(C)CCC([NH2+]C[C@]2(O)CC[NH2+]C2)CC1 ZINC001577205001 993540620 /nfs/dbraw/zinc/54/06/20/993540620.db2.gz GFLWWFLXHPSORO-RUXDESIVSA-N 2 0 240.391 1.659 20 0 BDADRP CC[C@]1(C)CCC[C@H]1[NH2+]C[C@]1(O)CC[NH2+]C1 ZINC001577205589 993546554 /nfs/dbraw/zinc/54/65/54/993546554.db2.gz UAXHUIZASAEDKI-UPJWGTAASA-N 2 0 226.364 1.269 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+]CC2C[NH2+]C2)CCO1 ZINC001577240876 993550372 /nfs/dbraw/zinc/55/03/72/993550372.db2.gz NSWLJSJQPWSIQR-ZYHUDNBSSA-N 2 0 212.337 1.001 20 0 BDADRP CC[C@@H]1[C@H](CO)CC[N@@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001577240403 993555635 /nfs/dbraw/zinc/55/56/35/993555635.db2.gz GJAXRDSFZYSUFL-WUHRBBMRSA-N 2 0 226.364 1.207 20 0 BDADRP CCC[C@](C)(O)C[NH2+]C[C@@H](N)CC(F)(F)F ZINC001577330774 993594080 /nfs/dbraw/zinc/59/40/80/993594080.db2.gz GDIXVFIBCGSTPU-IUCAKERBSA-N 2 0 242.285 1.407 20 0 BDADRP CCC[C@@H](CN[C@H]1C[C@H]2CC[C@@H]1[NH2+]2)OC ZINC001577357885 993618122 /nfs/dbraw/zinc/61/81/22/993618122.db2.gz JORONEMIZVLOON-RHYQMDGZSA-N 2 0 212.337 1.284 20 0 BDADRP CCC[C@@H]1[C@@H](C)CCC[N@@H+]1C[C@H](O)C[NH2+]C ZINC001577375254 993629663 /nfs/dbraw/zinc/62/96/63/993629663.db2.gz UPJVYWFYPJCAAE-YNEHKIRRSA-N 2 0 228.380 1.467 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)CC(C)(C)[NH3+] ZINC001577510289 993675289 /nfs/dbraw/zinc/67/52/89/993675289.db2.gz IVVMVMBVVKONCJ-NSHDSACASA-N 2 0 243.395 1.350 20 0 BDADRP CCC[N@@H+]1CC[C@H](NC[C@]2(C)CCC[NH2+]C2)C1 ZINC001577533253 993679342 /nfs/dbraw/zinc/67/93/42/993679342.db2.gz BQUGCWJXLSYCJP-UONOGXRCSA-N 2 0 239.407 1.450 20 0 BDADRP CCCN(CCC[NH+](C)C)CC(C)(C)[NH3+] ZINC001577519885 993680378 /nfs/dbraw/zinc/68/03/78/993680378.db2.gz ZHBPLLSHYNRDHE-UHFFFAOYSA-N 2 0 215.385 1.387 20 0 BDADRP CCC[N@H+](C[C@@H]1C[NH2+]C[C@H]1C)CC(C)(C)O ZINC001577523838 993680711 /nfs/dbraw/zinc/68/07/11/993680711.db2.gz IHFXDTMAJWPILX-NEPJUHHUSA-N 2 0 228.380 1.325 20 0 BDADRP CCCn1cc(C[NH2+]C2CC3(CC([NH3+])C3)C2)nn1 ZINC001577622803 993697182 /nfs/dbraw/zinc/69/71/82/993697182.db2.gz XLDIGTMVSQARLC-UHFFFAOYSA-N 2 0 249.362 1.048 20 0 BDADRP CC[N@H+](C)[C@H]1CCN(CC2(C[NH3+])CCC2)C1 ZINC001577654895 993703041 /nfs/dbraw/zinc/70/30/41/993703041.db2.gz KTNSVBBCZHLNJU-LBPRGKRZSA-N 2 0 225.380 1.141 20 0 BDADRP CC(C)[NH+]1CCC(n2cnc(C[NH3+])c2)CC1 ZINC000387443990 993708022 /nfs/dbraw/zinc/70/80/22/993708022.db2.gz ZNIBVYCVIWYUQS-UHFFFAOYSA-N 2 0 222.336 1.387 20 0 BDADRP CC[N@H+](C)[C@H]1CCN(C(=O)CCCCC[NH3+])C1 ZINC001577655126 993708801 /nfs/dbraw/zinc/70/88/01/993708801.db2.gz RPBCZICRVNDXTP-LBPRGKRZSA-N 2 0 241.379 1.058 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001577654843 993709721 /nfs/dbraw/zinc/70/97/21/993709721.db2.gz JASVSIBHLFAREE-BFHYXJOUSA-N 3 0 239.407 1.387 20 0 BDADRP C[C@H](O)CC[NH2+]C1CCC([NH+](C)C)CC1 ZINC000389934946 993772977 /nfs/dbraw/zinc/77/29/77/993772977.db2.gz MPPBVMKWTJORRJ-UNXYVOJBSA-N 2 0 214.353 1.220 20 0 BDADRP CC[C@@H](C)C[NH2+][C@H](C)CNC(=O)CC[NH+](C)C ZINC001265818991 993953126 /nfs/dbraw/zinc/95/31/26/993953126.db2.gz WVCIDJWIYQVBFT-VXGBXAGGSA-N 2 0 243.395 1.079 20 0 BDADRP COC(C)(C)CC[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC000393758869 994004053 /nfs/dbraw/zinc/00/40/53/994004053.db2.gz YXPYGIRZGWPNHK-GFCCVEGCSA-N 2 0 228.380 1.862 20 0 BDADRP CC[NH+](CC)C[C@H](O)C[N@H+](CC1CC1)C1CC1 ZINC000393859763 994018811 /nfs/dbraw/zinc/01/88/11/994018811.db2.gz FKZZRQHZYXFVAY-AWEZNQCLSA-N 2 0 240.391 1.564 20 0 BDADRP CCOC(C)(C)C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC000702665518 994030477 /nfs/dbraw/zinc/03/04/77/994030477.db2.gz YRGAJGOXYZUFFC-CHWSQXEVSA-N 2 0 240.391 1.875 20 0 BDADRP CCOC(C)(C)CN1C[C@@H](C)[C@H]([NH3+])C1 ZINC000702741929 994043798 /nfs/dbraw/zinc/04/37/98/994043798.db2.gz DWELAJNIMMCHKD-NXEZZACHSA-N 2 0 200.326 1.081 20 0 BDADRP c1ccc2c(c1)C[NH+](CCNc1cc[nH+]cc1)C2 ZINC001336391789 995022382 /nfs/dbraw/zinc/02/23/82/995022382.db2.gz NMMYKQCQDPETOW-UHFFFAOYSA-N 2 0 239.322 1.931 20 0 BDADRP CC[N@@H+]1CCCC[C@H]1CNc1nccnc1C[NH3+] ZINC001337772241 995217993 /nfs/dbraw/zinc/21/79/93/995217993.db2.gz QXUUTHZFWPMHRB-NSHDSACASA-N 2 0 249.362 1.222 20 0 BDADRP C[NH+]1CC[C@@H]2CN(CC[C@@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001307784839 995462743 /nfs/dbraw/zinc/46/27/43/995462743.db2.gz IMXYALLJCWNCDU-RDBSUJKOSA-N 2 0 237.391 1.107 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@H](C)Cc1ccn(C(C)C)n1 ZINC000414995089 398138364 /nfs/dbraw/zinc/13/83/64/398138364.db2.gz VTOCOJSTHUKXHU-NEPJUHHUSA-N 2 0 238.379 1.722 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCC1(O)CCC1 ZINC000643488736 398144775 /nfs/dbraw/zinc/14/47/75/398144775.db2.gz LIGBMHVVOMMVQQ-RYUDHWBXSA-N 2 0 226.364 1.541 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCC1(O)CCC1 ZINC000643488735 398144948 /nfs/dbraw/zinc/14/49/48/398144948.db2.gz LIGBMHVVOMMVQQ-NWDGAFQWSA-N 2 0 226.364 1.541 20 0 BDADRP CCC(CC)(CO)C[NH2+][C@H](C)CCCC[NH3+] ZINC000309432648 168328953 /nfs/dbraw/zinc/32/89/53/168328953.db2.gz XWQDIYVLTWGYNW-GFCCVEGCSA-N 2 0 230.396 1.892 20 0 BDADRP C[NH2+]CC1CC[NH+](Cc2ccno2)CC1 ZINC000063166135 349500493 /nfs/dbraw/zinc/50/04/93/349500493.db2.gz QRSCSTCYCHBEDF-UHFFFAOYSA-N 2 0 209.293 1.106 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@H](N2CCCC2)C1 ZINC000062980261 349503010 /nfs/dbraw/zinc/50/30/10/349503010.db2.gz CHQPMFGHTGKRET-AWEZNQCLSA-N 2 0 237.391 1.156 20 0 BDADRP Cc1cccc(C)c1OCC[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422943359 398159492 /nfs/dbraw/zinc/15/94/92/398159492.db2.gz LEXSUEVJDYSOSQ-ZDUSSCGKSA-N 2 0 248.370 1.880 20 0 BDADRP CO[C@H](C)CC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422906188 398157391 /nfs/dbraw/zinc/15/73/91/398157391.db2.gz UIJBPBOGDABNEZ-IJLUTSLNSA-N 2 0 214.353 1.389 20 0 BDADRP C([C@H]1CC[NH2+]C1)[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000390454130 398173880 /nfs/dbraw/zinc/17/38/80/398173880.db2.gz CCYCBOBTIPCGMF-WCQYABFASA-N 2 0 208.349 1.860 20 0 BDADRP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H](C)CCC[NH3+])C1(C)C ZINC000423019850 398161215 /nfs/dbraw/zinc/16/12/15/398161215.db2.gz XLSZYCPCWVYFLP-WHOHXGKFSA-N 2 0 228.380 1.763 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])[C@H](O)C(C)C ZINC000423174500 398164178 /nfs/dbraw/zinc/16/41/78/398164178.db2.gz CFZXPUOAINFHEJ-RWMBFGLXSA-N 2 0 230.396 1.889 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CCC[C@@H](CO)C1 ZINC000423174001 398164532 /nfs/dbraw/zinc/16/45/32/398164532.db2.gz AWVRVFMPFCVCBU-MQYQWHSLSA-N 2 0 240.391 1.515 20 0 BDADRP COC[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)C(C)C ZINC000423327083 398166308 /nfs/dbraw/zinc/16/63/08/398166308.db2.gz LAXBZELUTFBZHZ-STQMWFEESA-N 2 0 228.380 1.637 20 0 BDADRP O[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647795770 398194185 /nfs/dbraw/zinc/19/41/85/398194185.db2.gz VTQWNBJXWFEQSZ-ZSLBOAEBSA-N 2 0 238.375 1.268 20 0 BDADRP COC[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000334260154 398194694 /nfs/dbraw/zinc/19/46/94/398194694.db2.gz RKCLILJIDLWLMO-STQMWFEESA-N 2 0 226.364 1.439 20 0 BDADRP Cc1cc(N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc[nH+]1 ZINC000274814446 178117066 /nfs/dbraw/zinc/11/70/66/178117066.db2.gz YSVSNVOVMJPPAQ-JSGCOSHPSA-N 2 0 231.343 1.920 20 0 BDADRP C[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)C(C)(C)C ZINC000162812614 538924793 /nfs/dbraw/zinc/92/47/93/538924793.db2.gz RSOAFASGPZWLDU-STQMWFEESA-N 2 0 242.407 1.715 20 0 BDADRP CCC[C@@H](C[NH2+][C@@H](C)CC[NH+](C)C)OC ZINC000386556226 398213388 /nfs/dbraw/zinc/21/33/88/398213388.db2.gz IBCVDGAEWLZHPV-RYUDHWBXSA-N 2 0 216.369 1.731 20 0 BDADRP CC[NH2+]CCCNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000576373751 365581590 /nfs/dbraw/zinc/58/15/90/365581590.db2.gz RSBWTEQFLHQUDF-WCQYABFASA-N 2 0 241.379 1.010 20 0 BDADRP c1nc(C2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)c[nH]1 ZINC000649413623 398211919 /nfs/dbraw/zinc/21/19/19/398211919.db2.gz SMDUEBMMQURJHA-LLVKDONJSA-N 3 0 234.347 1.199 20 0 BDADRP CCC[N@H+](C)C[C@H]1CCN(C[C@H]2CC[NH2+]C2)C1 ZINC000649414410 398212773 /nfs/dbraw/zinc/21/27/73/398212773.db2.gz YHOCVMZEECCXPQ-UONOGXRCSA-N 2 0 239.407 1.260 20 0 BDADRP Cc1cc(NC[C@@](C)(O)C[NH+](C)C)cc[nH+]1 ZINC000229559665 178167212 /nfs/dbraw/zinc/16/72/12/178167212.db2.gz WCEZNLDFSXTTEL-GFCCVEGCSA-N 2 0 223.320 1.115 20 0 BDADRP Cc1noc(C)c1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169480 398221639 /nfs/dbraw/zinc/22/16/39/398221639.db2.gz UJJNAUUKBRZSSS-GFCCVEGCSA-N 2 0 237.347 1.852 20 0 BDADRP Cc1cc(N[C@H](C)C[NH+]2CCN(C)CC2)cc[nH+]1 ZINC000274938808 178186067 /nfs/dbraw/zinc/18/60/67/178186067.db2.gz SMZCEFNNCISDJS-CYBMUJFWSA-N 2 0 248.374 1.438 20 0 BDADRP Cc1cc(N[C@H]2CCC[NH2+][C@@H]2C)cc[nH+]1 ZINC000129504112 178189011 /nfs/dbraw/zinc/18/90/11/178189011.db2.gz OKRNYRBPUIOUAN-PWSUYJOCSA-N 2 0 205.305 1.942 20 0 BDADRP CCC(CC)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000336673928 168353527 /nfs/dbraw/zinc/35/35/27/168353527.db2.gz GWBYVMDWDFSQPB-STQMWFEESA-N 2 0 210.365 1.964 20 0 BDADRP COCCCCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430557199 398227783 /nfs/dbraw/zinc/22/77/83/398227783.db2.gz SBOGVXAWMLFLSY-CHWSQXEVSA-N 2 0 228.380 1.862 20 0 BDADRP CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1CCCC1 ZINC000380108156 488173771 /nfs/dbraw/zinc/17/37/71/488173771.db2.gz YYJZNHYFYXOFGC-AWEZNQCLSA-N 2 0 242.407 1.952 20 0 BDADRP C[C@@H](CNC(=O)CCC[NH3+])[N@@H+]1CCCC[C@@H]1C ZINC000430766223 398231728 /nfs/dbraw/zinc/23/17/28/398231728.db2.gz WMPMCXXZNBIQAR-RYUDHWBXSA-N 2 0 241.379 1.104 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2CCOC2)c2ccccc21 ZINC000252792393 136227009 /nfs/dbraw/zinc/22/70/09/136227009.db2.gz VLIBFBLATPZYFO-HONMWMINSA-N 2 0 232.327 1.757 20 0 BDADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCSC1 ZINC000336776464 398242252 /nfs/dbraw/zinc/24/22/52/398242252.db2.gz FWXSIWBARSIDMR-LBPRGKRZSA-N 2 0 246.420 1.440 20 0 BDADRP CN(CC[NH2+]CC1CC[NH2+]CC1)C1CCCC1 ZINC000094010481 398244370 /nfs/dbraw/zinc/24/43/70/398244370.db2.gz VOXKEBHORKEKEK-UHFFFAOYSA-N 2 0 239.407 1.450 20 0 BDADRP C[C@@H]1C[N@@H+]([C@@H]2CCCOCC2)C[C@@]1(C)C[NH3+] ZINC000309220677 259311767 /nfs/dbraw/zinc/31/17/67/259311767.db2.gz XTLIXGYEEVELTP-JHJVBQTASA-N 2 0 226.364 1.472 20 0 BDADRP [NH3+]CCC[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000576703095 365662807 /nfs/dbraw/zinc/66/28/07/365662807.db2.gz AMWOUYPHNRKBAS-RYUDHWBXSA-N 2 0 212.337 1.226 20 0 BDADRP C[C@@H]1CC[C@@H](O)C[N@@H+]1CCC1CC[NH2+]CC1 ZINC000647997421 398255340 /nfs/dbraw/zinc/25/53/40/398255340.db2.gz BOFBDHWWDRXIQS-DGCLKSJQSA-N 2 0 226.364 1.221 20 0 BDADRP CC(C)C[NH+]1CCN(C[C@H]2CCC[N@@H+]2C)CC1 ZINC000649471989 398273418 /nfs/dbraw/zinc/27/34/18/398273418.db2.gz XZHPMDDUNMJUQL-CQSZACIVSA-N 2 0 239.407 1.354 20 0 BDADRP C[C@@H]1[C@H](C)OCCN1CC[C@@H]1CCC[N@@H+]1C ZINC000162280633 349612638 /nfs/dbraw/zinc/61/26/38/349612638.db2.gz WIHUUFUBYFHVKD-AGIUHOORSA-N 2 0 226.364 1.580 20 0 BDADRP CC(C)[NH+]1CCN(C[C@H]2CCC[N@@H+]2C)CC1 ZINC000649479772 398277750 /nfs/dbraw/zinc/27/77/50/398277750.db2.gz KIZMNIOQYRTPHR-CYBMUJFWSA-N 2 0 225.380 1.107 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]CC(C)(C)O)CC1 ZINC000083461116 398282271 /nfs/dbraw/zinc/28/22/71/398282271.db2.gz RTAKWQXXGJEYHS-UHFFFAOYSA-N 2 0 214.353 1.220 20 0 BDADRP CCc1cc(NCC(C)(C)[NH+](C)C)ncn1 ZINC000043411763 342794620 /nfs/dbraw/zinc/79/46/20/342794620.db2.gz QDNKYCNHHSHEEV-UHFFFAOYSA-N 2 0 222.336 1.791 20 0 BDADRP Cc1n[nH]cc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000335632695 136241376 /nfs/dbraw/zinc/24/13/76/136241376.db2.gz IONBJLKQMMHLOA-STQMWFEESA-N 2 0 248.374 1.540 20 0 BDADRP c1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)n[nH]1 ZINC000335633526 136241752 /nfs/dbraw/zinc/24/17/52/136241752.db2.gz IYFFDWFRSNFCQM-NWDGAFQWSA-N 2 0 234.347 1.231 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@@H](C)CC[NH+](C)C ZINC000389905323 539018415 /nfs/dbraw/zinc/01/84/15/539018415.db2.gz GSMIVQYQNJXZDS-NEPJUHHUSA-N 2 0 216.369 1.467 20 0 BDADRP CCO[C@@H](C[N@@H+]1CC[C@H](C[NH+](C)C)C1)C1CC1 ZINC000625166752 342899066 /nfs/dbraw/zinc/89/90/66/342899066.db2.gz LHXUCVRXDONLTH-OCCSQVGLSA-N 2 0 240.391 1.685 20 0 BDADRP C[NH+]1CCC(CC[NH2+]Cc2ccc(=O)[nH]c2)CC1 ZINC000631063788 398315550 /nfs/dbraw/zinc/31/55/50/398315550.db2.gz IOGMVSRZKNFCSG-UHFFFAOYSA-N 2 0 249.358 1.609 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386046899 342905305 /nfs/dbraw/zinc/90/53/05/342905305.db2.gz UOBKQQRAOVDZPV-BFHYXJOUSA-N 2 0 239.407 1.591 20 0 BDADRP COCC1(C[NH2+]CC2(C)CC2)CC[NH2+]CC1 ZINC000234711037 342939515 /nfs/dbraw/zinc/93/95/15/342939515.db2.gz BVNBCXZJGYRLKZ-UHFFFAOYSA-N 2 0 226.364 1.392 20 0 BDADRP COC[C@H]([NH2+][C@@H](CCC[NH3+])COC)C(C)C ZINC000234805317 342955379 /nfs/dbraw/zinc/95/53/79/342955379.db2.gz RKROJQITCKXKFK-RYUDHWBXSA-N 2 0 232.368 1.001 20 0 BDADRP CCOC1CC(C[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000351852668 136257678 /nfs/dbraw/zinc/25/76/78/136257678.db2.gz KUOCWLVIJHGWGR-UHFFFAOYSA-N 2 0 240.391 1.828 20 0 BDADRP CC[C@@]1(O)CC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000495260838 529573948 /nfs/dbraw/zinc/57/39/48/529573948.db2.gz HZFZFUUGRZVZRN-QWHCGFSZSA-N 2 0 226.364 1.318 20 0 BDADRP COCC[C@@H](C)[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000082474753 536768708 /nfs/dbraw/zinc/76/87/08/536768708.db2.gz WGVFBILVOZMJPF-GHMZBOCLSA-N 2 0 214.353 1.471 20 0 BDADRP CN(CC[C@H]1CCC[N@@H+]1C)CC[NH+]1CCCC1 ZINC000162493297 349731051 /nfs/dbraw/zinc/73/10/51/349731051.db2.gz WFDCLULOELUPSX-CQSZACIVSA-N 2 0 239.407 1.498 20 0 BDADRP O[C@H](C[NH2+][C@@H]1CCC(F)(F)C1)C[NH+]1CCCC1 ZINC000384017979 343018619 /nfs/dbraw/zinc/01/86/19/343018619.db2.gz PKPCMPVQAWNKRW-GHMZBOCLSA-N 2 0 248.317 1.221 20 0 BDADRP CC[NH+]1CCC(NC[C@@H](C)[NH+](C)C)CC1 ZINC000038088994 343059351 /nfs/dbraw/zinc/05/93/51/343059351.db2.gz VABNZVFLXNZDMO-LLVKDONJSA-N 2 0 213.369 1.010 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)[C@]2(C)CCC[NH2+]2)c1 ZINC000576849432 365704025 /nfs/dbraw/zinc/70/40/25/365704025.db2.gz XZRBGVXYVOTMOB-AWEZNQCLSA-N 2 0 247.342 1.487 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCOCC2CC2)C1 ZINC000236310582 343091534 /nfs/dbraw/zinc/09/15/34/343091534.db2.gz HBYKKVYXLZDSCG-NEPJUHHUSA-N 2 0 212.337 1.273 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCOCC2CC2)C1 ZINC000236323324 343091792 /nfs/dbraw/zinc/09/17/92/343091792.db2.gz HBYKKVYXLZDSCG-RYUDHWBXSA-N 2 0 212.337 1.273 20 0 BDADRP C[C@@H]1CCC[C@H](CN2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000122473888 343159336 /nfs/dbraw/zinc/15/93/36/343159336.db2.gz JNIYBUIECVTBHO-RDBSUJKOSA-N 2 0 239.407 1.387 20 0 BDADRP C[NH2+]CCCNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000121097748 343162369 /nfs/dbraw/zinc/16/23/69/343162369.db2.gz YFEKFSQXNPKGHK-ZDUSSCGKSA-N 2 0 249.358 1.192 20 0 BDADRP CN(CCC[NH3+])Cc1cn(C)nc1C(C)(C)C ZINC000128288793 343174358 /nfs/dbraw/zinc/17/43/58/343174358.db2.gz WRBFKTAOBIJOLA-UHFFFAOYSA-N 2 0 238.379 1.498 20 0 BDADRP Cc1ncsc1C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000309207962 136274800 /nfs/dbraw/zinc/27/48/00/136274800.db2.gz QWCVMZHQPWABGO-BXKDBHETSA-N 2 0 239.388 1.868 20 0 BDADRP C[C@H]1C[C@H]1C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000167533547 343209158 /nfs/dbraw/zinc/20/91/58/343209158.db2.gz CASHCBDAJKVPGG-GWCFXTLKSA-N 2 0 204.317 1.891 20 0 BDADRP FCCC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000088026347 136283851 /nfs/dbraw/zinc/28/38/51/136283851.db2.gz OZXZRYJNUBTSAM-LBPRGKRZSA-N 2 0 214.328 1.810 20 0 BDADRP COC(C)(C)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000122184382 136278041 /nfs/dbraw/zinc/27/80/41/136278041.db2.gz RWAIRJHDUJCTKK-MNOVXSKESA-N 2 0 214.353 1.484 20 0 BDADRP COCC[C@H](C)[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000069724597 343290093 /nfs/dbraw/zinc/29/00/93/343290093.db2.gz CJWZJWKVFHNYDL-TUAOUCFPSA-N 2 0 214.353 1.471 20 0 BDADRP Cc1c[nH+]ccc1NCC[N@@H+](C)C1CC1 ZINC000070047392 343297570 /nfs/dbraw/zinc/29/75/70/343297570.db2.gz RICFNVOMTWIBKS-UHFFFAOYSA-N 2 0 205.305 1.896 20 0 BDADRP CC[N@@H+]1CCC[C@H]1CN(C)C[C@@]1(C)CC[NH2+]C1 ZINC000220959134 343304826 /nfs/dbraw/zinc/30/48/26/343304826.db2.gz HXYUOFYHKYPEHS-KBPBESRZSA-N 2 0 239.407 1.402 20 0 BDADRP c1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)nc1 ZINC000335636021 136300744 /nfs/dbraw/zinc/30/07/44/136300744.db2.gz SYTYKEJGYILEHP-ZIAGYGMSSA-N 2 0 245.370 1.903 20 0 BDADRP CCc1cnc(C[NH2+]CC[C@H]2CC[NH2+]C2)s1 ZINC000234222186 343374935 /nfs/dbraw/zinc/37/49/35/343374935.db2.gz PPGAUNWUXRRMBU-SNVBAGLBSA-N 2 0 239.388 1.795 20 0 BDADRP CC[C@H](COC)[NH2+]CCC[NH+](CC)CC ZINC000070623682 343335965 /nfs/dbraw/zinc/33/59/65/343335965.db2.gz MWTTYYDOYBQEEL-GFCCVEGCSA-N 2 0 216.369 1.733 20 0 BDADRP Cc1nc(C)c(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)s1 ZINC000166221543 136310316 /nfs/dbraw/zinc/31/03/16/136310316.db2.gz NCHNAJDICIPVKV-LDYMZIIASA-N 2 0 239.388 1.929 20 0 BDADRP CCCCOCC[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000166227904 136314023 /nfs/dbraw/zinc/31/40/23/136314023.db2.gz YUBOLZSXFJALAC-NEPJUHHUSA-N 2 0 214.353 1.472 20 0 BDADRP Cc1nc(CN2CC[C@H]([C@@H](C)[NH3+])C2)oc1C ZINC000166231308 136315376 /nfs/dbraw/zinc/31/53/76/136315376.db2.gz WIKVCIYBWSQCHA-KCJUWKMLSA-N 2 0 223.320 1.461 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000310203328 343381304 /nfs/dbraw/zinc/38/13/04/343381304.db2.gz CGWUOBNBIILCLB-XJFOESAGSA-N 2 0 242.407 1.713 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccnn1C ZINC000335694641 136326483 /nfs/dbraw/zinc/32/64/83/136326483.db2.gz IZWZYQAAIFBKRS-AAEUAGOBSA-N 2 0 236.363 1.192 20 0 BDADRP C[C@H]1C[N@H+](CC2CCOCC2)CC[C@@H]1[NH3+] ZINC000082544839 343447098 /nfs/dbraw/zinc/44/70/98/343447098.db2.gz RRIWELIHBCUNAK-JQWIXIFHSA-N 2 0 212.337 1.082 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccccn2)[C@@H](C)C1 ZINC000247980715 136373620 /nfs/dbraw/zinc/37/36/20/136373620.db2.gz MPLZFJZKKGQBPV-ZFWWWQNUSA-N 2 0 247.386 1.944 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(CC)(CC)C1 ZINC000310526527 343524211 /nfs/dbraw/zinc/52/42/11/343524211.db2.gz NCPURZUEENZNCB-ZDUSSCGKSA-N 2 0 242.407 1.811 20 0 BDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H](C)[NH3+] ZINC000083903409 178545222 /nfs/dbraw/zinc/54/52/22/178545222.db2.gz ZGXMBVJXVWSWGP-SNVBAGLBSA-N 2 0 235.331 1.342 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000518770277 259365839 /nfs/dbraw/zinc/36/58/39/259365839.db2.gz OZUDMPIOVUDNLB-IUODEOHRSA-N 3 0 247.386 1.766 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000577062435 365799431 /nfs/dbraw/zinc/79/94/31/365799431.db2.gz FGGIVERFWJSGNC-SWLSCSKDSA-N 3 0 247.386 1.623 20 0 BDADRP Cc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)ccn1 ZINC000621775089 343898241 /nfs/dbraw/zinc/89/82/41/343898241.db2.gz FXCFZMPUZLEJBK-YPMHNXCESA-N 2 0 219.332 1.559 20 0 BDADRP Cc1cccc(C)c1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000096811122 343903983 /nfs/dbraw/zinc/90/39/83/343903983.db2.gz MDOCYSXRSQJNGP-KBPBESRZSA-N 2 0 230.355 1.955 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732433 344106919 /nfs/dbraw/zinc/10/69/19/344106919.db2.gz GOYMGQFSADZTDE-SRVKXCTJSA-N 2 0 226.364 1.532 20 0 BDADRP Cc1n[nH]cc1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733037 344108749 /nfs/dbraw/zinc/10/87/49/344108749.db2.gz VVJAHWLMANFTNN-LBPRGKRZSA-N 2 0 236.363 1.586 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000634733765 344113969 /nfs/dbraw/zinc/11/39/69/344113969.db2.gz NIPOSKNKZUIKFE-CHWSQXEVSA-N 3 0 239.407 1.496 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H](NCC2(C[NH3+])CC2)C1 ZINC000634733771 344114015 /nfs/dbraw/zinc/11/40/15/344114015.db2.gz NIZLNTRLINQFJS-LLVKDONJSA-N 2 0 225.380 1.093 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CCCOCC2)C1 ZINC000634733675 344114020 /nfs/dbraw/zinc/11/40/20/344114020.db2.gz KXYPYDSYXXIGAO-OLZOCXBDSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@]1(CN[C@@H]2CC[NH2+]CC(C)(C)C2)CC[NH2+]C1 ZINC000634734139 344114548 /nfs/dbraw/zinc/11/45/48/344114548.db2.gz XXOKYEHPVJMEEP-OCCSQVGLSA-N 2 0 239.407 1.354 20 0 BDADRP CC(C)(C)[NH2+]CCN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733836 344114696 /nfs/dbraw/zinc/11/46/96/344114696.db2.gz PKGDKPKCEQKVDV-GFCCVEGCSA-N 2 0 241.423 1.742 20 0 BDADRP CC(C)([NH3+])CC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634752473 344204505 /nfs/dbraw/zinc/20/45/05/344204505.db2.gz MNMQIELCQHOHHD-JTQLQIEISA-N 2 0 241.379 1.008 20 0 BDADRP CC(C)([NH3+])CC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634752474 344204535 /nfs/dbraw/zinc/20/45/35/344204535.db2.gz MNMQIELCQHOHHD-SNVBAGLBSA-N 2 0 241.379 1.008 20 0 BDADRP CCOC[C@H](C)[NH2+]CCCC[NH+](C)C ZINC000132996138 344310442 /nfs/dbraw/zinc/31/04/42/344310442.db2.gz BDJDCBXGGOYPLG-NSHDSACASA-N 2 0 202.342 1.343 20 0 BDADRP CCOC[C@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000133009457 344310444 /nfs/dbraw/zinc/31/04/44/344310444.db2.gz BPCGSVXIIZWKGY-QWRGUYRKSA-N 2 0 202.342 1.341 20 0 BDADRP COCC[C@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000133298082 344316628 /nfs/dbraw/zinc/31/66/28/344316628.db2.gz CNELLXXHFDQRMY-RYUDHWBXSA-N 2 0 216.369 1.717 20 0 BDADRP CC[C@@H]1C[N@H+](CCCCC(=O)OC)CC[C@H]1[NH3+] ZINC000600709272 344360966 /nfs/dbraw/zinc/36/09/66/344360966.db2.gz IBDBCZHFLRJOPW-VXGBXAGGSA-N 2 0 242.363 1.389 20 0 BDADRP COC(=O)CCCC[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000600711822 344361789 /nfs/dbraw/zinc/36/17/89/344361789.db2.gz SQHRRBBENYDYAW-GFCCVEGCSA-N 2 0 228.336 1.000 20 0 BDADRP CCOCC(C)(C)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000381211325 344485726 /nfs/dbraw/zinc/48/57/26/344485726.db2.gz DZCKFNRMGXMCKP-NWDGAFQWSA-N 2 0 228.380 1.909 20 0 BDADRP C[N@H+](CCN1CC[NH2+]CC1)C1CCCCC1 ZINC000037482548 344508880 /nfs/dbraw/zinc/50/88/80/344508880.db2.gz OAGPRIRALNMWFN-UHFFFAOYSA-N 2 0 225.380 1.156 20 0 BDADRP COC[C@H](C)N(C)CC[NH2+]C(C)(C)C ZINC000044384589 344539919 /nfs/dbraw/zinc/53/99/19/344539919.db2.gz VRQJSLXPFBWZJP-JTQLQIEISA-N 2 0 202.342 1.341 20 0 BDADRP Cn1ccnc1[C@H]1CCN(c2ccncc2F)C1 ZINC000641464895 362434343 /nfs/dbraw/zinc/43/43/43/362434343.db2.gz WXHKLLMULYAOOK-JTQLQIEISA-N 2 0 246.289 1.948 20 0 BDADRP C[NH+](C)CCOCC[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000336782948 537852781 /nfs/dbraw/zinc/85/27/81/537852781.db2.gz ZBWYRSQDVNZBIL-QWHCGFSZSA-N 2 0 226.364 1.343 20 0 BDADRP Cc1csc(CNC[C@@H]2CCC[NH2+]C2)n1 ZINC000049539096 344651880 /nfs/dbraw/zinc/65/18/80/344651880.db2.gz YFBDOVSFYXTRFI-SNVBAGLBSA-N 2 0 225.361 1.541 20 0 BDADRP [NH3+][C@H]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000050227976 344660206 /nfs/dbraw/zinc/66/02/06/344660206.db2.gz UYCYGECWSULEDD-LSDHHAIUSA-N 2 0 245.370 1.294 20 0 BDADRP C[N@H+](CC[C@H]1CCC[NH+]1C)C[C@H]1C[C@@H](O)C1 ZINC000626046124 344695179 /nfs/dbraw/zinc/69/51/79/344695179.db2.gz QPFPKPVUEIMWIU-UPJWGTAASA-N 2 0 226.364 1.173 20 0 BDADRP C[NH+](C)C[C@]1(O)CCC[N@H+](CCC2CCC2)C1 ZINC000639761119 537866209 /nfs/dbraw/zinc/86/62/09/537866209.db2.gz DGWWWZMPYDSTGW-CQSZACIVSA-N 2 0 240.391 1.565 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000574452556 344855008 /nfs/dbraw/zinc/85/50/08/344855008.db2.gz BVKAQDBITDJGSD-WCQYABFASA-N 3 0 225.380 1.045 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000583441415 344967232 /nfs/dbraw/zinc/96/72/32/344967232.db2.gz APSBHRFSQJJWBK-KGLIPLIRSA-N 3 0 233.359 1.362 20 0 BDADRP CCCC[C@@H](C)[NH2+]C[C@@H]1CNCCO1 ZINC000050890000 345024970 /nfs/dbraw/zinc/02/49/70/345024970.db2.gz RCYQSUJNGNXFOD-MNOVXSKESA-N 2 0 200.326 1.143 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)C(C)(C)C ZINC000155078922 345064106 /nfs/dbraw/zinc/06/41/06/345064106.db2.gz QWSDQSHLJRLMAY-QWHCGFSZSA-N 2 0 241.423 1.647 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156008809 345117412 /nfs/dbraw/zinc/11/74/12/345117412.db2.gz JRWQOLWWUOKJTH-MGPQQGTHSA-N 2 0 248.374 1.488 20 0 BDADRP CC(C)[C@@H](C[NH3+])CN(CC[NH3+])Cc1ccccc1 ZINC000634991571 345177561 /nfs/dbraw/zinc/17/75/61/345177561.db2.gz JLFGUCZNPKFMFJ-HNNXBMFYSA-N 2 0 249.402 1.678 20 0 BDADRP C(N1CC[NH+](C2CCCC2)CC1)C12CC(C1)C[NH2+]2 ZINC000634991444 345177631 /nfs/dbraw/zinc/17/76/31/345177631.db2.gz DUNAICQVAALRFR-UHFFFAOYSA-N 2 0 249.402 1.299 20 0 BDADRP CC(C)[C@H](C[NH3+])C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000634995184 345183570 /nfs/dbraw/zinc/18/35/70/345183570.db2.gz XSWIXWLLBZINGB-CYBMUJFWSA-N 3 0 239.407 1.293 20 0 BDADRP Cc1ccccc1CCNCC12CC(C1)C[NH2+]2 ZINC000634995357 345184428 /nfs/dbraw/zinc/18/44/28/345184428.db2.gz BOJZKGRVSXWXEJ-UHFFFAOYSA-N 2 0 230.355 1.879 20 0 BDADRP CC(C)[C@H](C[NH3+])C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000634996894 345186703 /nfs/dbraw/zinc/18/67/03/345186703.db2.gz XULOBXYFYQVZMT-RDBSUJKOSA-N 3 0 239.407 1.278 20 0 BDADRP CC(C)[C@H](CO)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156146232 345128116 /nfs/dbraw/zinc/12/81/16/345128116.db2.gz LRJTWZTUJXHHKO-XQQFMLRXSA-N 2 0 226.364 1.220 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCCC[NH+](C)C)CC[N@@H+]1C ZINC000156172451 345131436 /nfs/dbraw/zinc/13/14/36/345131436.db2.gz SGWHYFWEQYNJHH-QWHCGFSZSA-N 3 0 227.396 1.401 20 0 BDADRP CC(C)[C@H](C[NH3+])CN1C[C@@H]([NH3+])Cc2ccccc21 ZINC000634996406 345187756 /nfs/dbraw/zinc/18/77/56/345187756.db2.gz IWRCITYAGNSAKX-KGLIPLIRSA-N 2 0 247.386 1.607 20 0 BDADRP CC[NH+]1CCC(C[NH2+]CC[C@H]2CCOC2)CC1 ZINC000400590372 345245468 /nfs/dbraw/zinc/24/54/68/345245468.db2.gz PNQHYZNKGBJWFH-AWEZNQCLSA-N 2 0 240.391 1.735 20 0 BDADRP CC[C@@]1(C)CCN(CC23CC(C2)C[NH2+]3)C1 ZINC000634993852 345192201 /nfs/dbraw/zinc/19/22/01/345192201.db2.gz IFFCYCYVEIULDL-CPCZMJQVSA-N 2 0 208.349 1.860 20 0 BDADRP C[NH+](C)[C@H]1CCCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634993976 345192310 /nfs/dbraw/zinc/19/23/10/345192310.db2.gz MJGNWTMIZQGMOA-MOKVOYLWSA-N 2 0 237.391 1.155 20 0 BDADRP CC(C)[C@H](C[NH3+])CN1CCCc2n[nH]cc2C1 ZINC000634997047 345193859 /nfs/dbraw/zinc/19/38/59/345193859.db2.gz BQYQPFLMNWUMCI-LLVKDONJSA-N 2 0 236.363 1.389 20 0 BDADRP CC(C)[C@H](C[NH3+])CN1CCCCC[C@@H]([NH3+])C1 ZINC000634997156 345193937 /nfs/dbraw/zinc/19/39/37/345193937.db2.gz FDAOHKQFDGLEOI-CHWSQXEVSA-N 2 0 227.396 1.421 20 0 BDADRP CC(C)[C@@H](C[NH3+])CN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634997145 345194039 /nfs/dbraw/zinc/19/40/39/345194039.db2.gz DXVGHKZBRYWQGF-MELADBBJSA-N 2 0 239.407 1.149 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CC[NH2+]C2)[C@@H](C)O1 ZINC000635001723 345201881 /nfs/dbraw/zinc/20/18/81/345201881.db2.gz ZBLWCPGKDKVUOH-WYUUTHIRSA-N 2 0 212.337 1.142 20 0 BDADRP C[C@H]1C[N@H+](Cc2cccc3c2OCO3)C[C@H]1C[NH3+] ZINC000635000293 345201928 /nfs/dbraw/zinc/20/19/28/345201928.db2.gz LGBLKPJHGLVGLX-CMPLNLGQSA-N 2 0 248.326 1.442 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cccc3c2OCO3)C[C@H]1C[NH3+] ZINC000635000296 345202068 /nfs/dbraw/zinc/20/20/68/345202068.db2.gz LGBLKPJHGLVGLX-ZYHUDNBSSA-N 2 0 248.326 1.442 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)[C@@H](C)O1 ZINC000635001080 345202913 /nfs/dbraw/zinc/20/29/13/345202913.db2.gz FSYPSDSPROFZSF-SYLRKERUSA-N 2 0 226.364 1.530 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC(C)(C)F ZINC000635003080 345205608 /nfs/dbraw/zinc/20/56/08/345205608.db2.gz FQUDKYZYBFJTDW-ZJUUUORDSA-N 2 0 202.317 1.712 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CCO1 ZINC000635003821 345207132 /nfs/dbraw/zinc/20/71/32/345207132.db2.gz FMRDPCDNPLLNJT-LPWJVIDDSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)[C@@H](C)O1 ZINC000635007840 345209377 /nfs/dbraw/zinc/20/93/77/345209377.db2.gz BNQUTHJPYFEJOW-LPWJVIDDSA-N 2 0 240.391 1.920 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CCCC[NH2+]1 ZINC000635005876 345210012 /nfs/dbraw/zinc/21/00/12/345210012.db2.gz PSVDRQRLRNHGAG-XUXIUFHCSA-N 2 0 239.407 1.624 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635007096 345211202 /nfs/dbraw/zinc/21/12/02/345211202.db2.gz ABHBAEYTAPHYHD-QJPTWQEYSA-N 2 0 228.380 1.778 20 0 BDADRP CCOC[C@@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635009773 345211911 /nfs/dbraw/zinc/21/19/11/345211911.db2.gz ZKOAUYCVQJLJJW-IJLUTSLNSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1cn[nH]c1 ZINC000635010016 345212168 /nfs/dbraw/zinc/21/21/68/345212168.db2.gz IQTHBQHCCVKQNG-CMPLNLGQSA-N 2 0 236.363 1.839 20 0 BDADRP CCOC[C@H](C)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635010424 345212611 /nfs/dbraw/zinc/21/26/11/345212611.db2.gz KTECSISOEOKJQV-LBPRGKRZSA-N 2 0 248.370 1.847 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+]CC[C@@H]([NH3+])Cc1ccccc1 ZINC000635010419 345212664 /nfs/dbraw/zinc/21/26/64/345212664.db2.gz ZXIGGBAUOITVPX-CFVMTHIKSA-N 2 0 248.370 1.714 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000635010773 345212817 /nfs/dbraw/zinc/21/28/17/345212817.db2.gz BEFRGAMIYPRDBO-FNCVBFRFSA-N 2 0 222.254 1.654 20 0 BDADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000635008118 345216072 /nfs/dbraw/zinc/21/60/72/345216072.db2.gz ZODVFCOJFHUBRP-SYQHCUMBSA-N 3 0 239.407 1.611 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)C1 ZINC000635013098 345217537 /nfs/dbraw/zinc/21/75/37/345217537.db2.gz QNSQKYPMLTXMOQ-RBXMUDONSA-N 2 0 222.254 1.797 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)O1 ZINC000397477220 345353787 /nfs/dbraw/zinc/35/37/87/345353787.db2.gz IEYINBGWWCEONU-XGFWRYKXSA-N 2 0 240.391 1.859 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)CCCC[NH3+] ZINC000147294418 345370968 /nfs/dbraw/zinc/37/09/68/345370968.db2.gz CGYARGDJZFTASX-VXGBXAGGSA-N 3 0 215.385 1.611 20 0 BDADRP CCC[NH2+][C@@H](C)C(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000449119599 201814929 /nfs/dbraw/zinc/81/49/29/201814929.db2.gz AFXQGVKSFAQVRL-WCQYABFASA-N 2 0 243.395 1.254 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000449119598 201815001 /nfs/dbraw/zinc/81/50/01/201815001.db2.gz AFXQGVKSFAQVRL-DGCLKSJQSA-N 2 0 243.395 1.254 20 0 BDADRP Cc1cnccc1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC000635535311 345487282 /nfs/dbraw/zinc/48/72/82/345487282.db2.gz MBIXPDKRCLZPMJ-UHFFFAOYSA-N 2 0 249.358 1.728 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000223024735 535005057 /nfs/dbraw/zinc/00/50/57/535005057.db2.gz SWPBKKKDAUYUAN-QWHCGFSZSA-N 2 0 228.380 1.874 20 0 BDADRP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000216022164 345743613 /nfs/dbraw/zinc/74/36/13/345743613.db2.gz DHDHXXOSFZCFAD-YPMHNXCESA-N 2 0 234.343 1.864 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+][C@@H](CO)Cc2ccccc2)C1 ZINC000093216088 345857686 /nfs/dbraw/zinc/85/76/86/345857686.db2.gz FSDRREZNGRPVKW-SOUVJXGZSA-N 2 0 248.370 1.450 20 0 BDADRP CC(C)[N@H+](C)CCN[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000250491761 535010582 /nfs/dbraw/zinc/01/05/82/535010582.db2.gz HHZSKLWNHDFVEZ-KBPBESRZSA-N 2 0 239.407 1.543 20 0 BDADRP CC(C)[N@H+](C)CCN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000084216727 535010643 /nfs/dbraw/zinc/01/06/43/535010643.db2.gz HEMRIYBLRMTAMZ-CHWSQXEVSA-N 2 0 227.396 1.434 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000300408973 345927827 /nfs/dbraw/zinc/92/78/27/345927827.db2.gz WMABSQNIQCQQLA-HZSPNIEDSA-N 2 0 237.391 1.297 20 0 BDADRP Cc1nc(CN2C[C@H](C)[N@@H+](C)C[C@H]2C)[nH]c1C ZINC000628240546 346202612 /nfs/dbraw/zinc/20/26/12/346202612.db2.gz JJEHKQCIBNUJSQ-VHSXEESVSA-N 2 0 236.363 1.551 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]C2CCC(O)CC2)CC1(C)C ZINC000628241067 346203814 /nfs/dbraw/zinc/20/38/14/346203814.db2.gz HHBUMOXYGGLKED-CPCZMJQVSA-N 2 0 240.391 1.752 20 0 BDADRP Cc1cccc(CCC[NH2+][C@H]2CN(C)C[C@@H]2C)n1 ZINC000352912907 179055645 /nfs/dbraw/zinc/05/56/45/179055645.db2.gz FWCHPUBFELSNEK-WFASDCNBSA-N 2 0 247.386 1.862 20 0 BDADRP COC(=O)CC1(C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000603431860 349953454 /nfs/dbraw/zinc/95/34/54/349953454.db2.gz HMPKJPKCIVQCEU-NXEZZACHSA-N 2 0 240.347 1.045 20 0 BDADRP CN1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000378952515 346428191 /nfs/dbraw/zinc/42/81/91/346428191.db2.gz IRVVVOVANUVBCL-VOAKCMCISA-N 2 0 208.349 1.859 20 0 BDADRP Cc1noc(CCC[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)n1 ZINC000641800243 362750587 /nfs/dbraw/zinc/75/05/87/362750587.db2.gz AEUAEVUVXUXKEB-VHSXEESVSA-N 2 0 238.335 1.026 20 0 BDADRP Cn1cncc1CC[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000641798179 362743105 /nfs/dbraw/zinc/74/31/05/362743105.db2.gz IJIHCVPCCAWXTK-GFCCVEGCSA-N 2 0 236.363 1.166 20 0 BDADRP CCOC(=O)CCCC[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000603433969 349963387 /nfs/dbraw/zinc/96/33/87/349963387.db2.gz NQYMBFFKZTYUAO-MNOVXSKESA-N 2 0 242.363 1.435 20 0 BDADRP CO[C@@H](CC(C)C)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000419200959 192103212 /nfs/dbraw/zinc/10/32/12/192103212.db2.gz FCMFTEBRAKELNH-KGLIPLIRSA-N 2 0 242.407 1.931 20 0 BDADRP CCOC(=O)CCCC[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000603433971 349963740 /nfs/dbraw/zinc/96/37/40/349963740.db2.gz NQYMBFFKZTYUAO-QWRGUYRKSA-N 2 0 242.363 1.435 20 0 BDADRP [NH3+]C[C@H](N[C@H]1CCC[NH2+]CC1)C1CCCC1 ZINC000333177619 537981522 /nfs/dbraw/zinc/98/15/22/537981522.db2.gz RFBLVVGHDJVAGF-STQMWFEESA-N 2 0 225.380 1.236 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(F)CC1 ZINC000580049876 346496012 /nfs/dbraw/zinc/49/60/12/346496012.db2.gz WCZZGNAORSDGOY-IXBNRNDTSA-N 2 0 212.312 1.594 20 0 BDADRP CCC[C@H](CCO)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000300375569 346531162 /nfs/dbraw/zinc/53/11/62/346531162.db2.gz FYMGSDXKUSUHPS-AGIUHOORSA-N 2 0 228.380 1.645 20 0 BDADRP Cc1n[nH]cc1CN1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622004803 370655511 /nfs/dbraw/zinc/65/55/11/370655511.db2.gz VFKKNYCAEYKEBW-NWDGAFQWSA-N 2 0 220.320 1.031 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCS2)C1 ZINC000250682258 362817303 /nfs/dbraw/zinc/81/73/03/362817303.db2.gz YZFXFIXNIHVMIP-GMTAPVOTSA-N 2 0 214.378 1.742 20 0 BDADRP CCOCCCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000388357852 347354363 /nfs/dbraw/zinc/35/43/63/347354363.db2.gz JWKSNYBVSCBHRQ-VXGBXAGGSA-N 2 0 214.353 1.520 20 0 BDADRP CC[NH+](CC)CCC[N@H+](C)CC1(CO)CC1 ZINC000191894619 347362365 /nfs/dbraw/zinc/36/23/65/347362365.db2.gz SOZDYTCRCRDWIU-UHFFFAOYSA-N 2 0 228.380 1.423 20 0 BDADRP CCOCCCC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000388383155 347376264 /nfs/dbraw/zinc/37/62/64/347376264.db2.gz VBDOMIMWZLQKFZ-OLZOCXBDSA-N 2 0 228.380 1.923 20 0 BDADRP CCOCC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357075889 187377389 /nfs/dbraw/zinc/37/73/89/187377389.db2.gz JKBBTIGPFHEUQR-CYBMUJFWSA-N 2 0 226.364 1.344 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](CC2CCOCC2)CC1 ZINC000082474726 347615311 /nfs/dbraw/zinc/61/53/11/347615311.db2.gz MSMLDCDVWSLCHW-NSHDSACASA-N 2 0 226.364 1.472 20 0 BDADRP C(CN(C1CC1)[C@H]1CC[NH2+]C1)C1CC[NH2+]CC1 ZINC000359223291 187379990 /nfs/dbraw/zinc/37/99/90/187379990.db2.gz RBLOIUYQAHLHPR-AWEZNQCLSA-N 2 0 237.391 1.202 20 0 BDADRP CC[NH2+]CC1CCN(C[C@H]([NH3+])CC(C)C)CC1 ZINC000414658828 323151055 /nfs/dbraw/zinc/15/10/55/323151055.db2.gz KBADKYFLDBRZBC-CQSZACIVSA-N 2 0 241.423 1.681 20 0 BDADRP CCC[NH+]1CCC(C[NH2+]Cc2cn[nH]c2)CC1 ZINC000591708003 347687870 /nfs/dbraw/zinc/68/78/70/347687870.db2.gz FSXMAFHTJZPZLP-UHFFFAOYSA-N 2 0 236.363 1.621 20 0 BDADRP CSCC[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000591567881 347670636 /nfs/dbraw/zinc/67/06/36/347670636.db2.gz YZCULIPWJOMPRJ-VIFPVBQESA-N 2 0 239.388 1.862 20 0 BDADRP C[N@H+](CC1CC[NH2+]CC1)C[C@H]1CCCOC1 ZINC000082544747 347795670 /nfs/dbraw/zinc/79/56/70/347795670.db2.gz ODILVNLIPGOXSN-CYBMUJFWSA-N 2 0 226.364 1.344 20 0 BDADRP CC(C)OC(=O)C[C@@H](N[C@@H]1CC[NH2+]C1)C(C)C ZINC000594583537 348077071 /nfs/dbraw/zinc/07/70/71/348077071.db2.gz UMJAXXLWHBIQFL-VXGBXAGGSA-N 2 0 242.363 1.304 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@]1(C)CCCC[C@H]1C ZINC000308710377 348101591 /nfs/dbraw/zinc/10/15/91/348101591.db2.gz NHRJWLLRJLWZEZ-MGPQQGTHSA-N 2 0 242.407 1.857 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)CN(C)C(C)C ZINC000383271757 348109006 /nfs/dbraw/zinc/10/90/06/348109006.db2.gz JQRFRSZRTODEKA-QWHCGFSZSA-N 2 0 245.411 1.059 20 0 BDADRP CCSCC[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594614920 348083413 /nfs/dbraw/zinc/08/34/13/348083413.db2.gz MICIQXKJGIHKAM-PHIMTYICSA-N 2 0 216.394 1.669 20 0 BDADRP CO[C@H](C)C[NH2+]Cc1cnccc1N(C)C ZINC000191150681 187391684 /nfs/dbraw/zinc/39/16/84/187391684.db2.gz CYVDSMRNZCRJMV-SNVBAGLBSA-N 2 0 223.320 1.272 20 0 BDADRP CC[C@@H](C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2)OC ZINC000419288404 192117992 /nfs/dbraw/zinc/11/79/92/192117992.db2.gz PNFQDAUKDOYBKZ-UONOGXRCSA-N 2 0 240.391 1.829 20 0 BDADRP CC(C)C[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000037887126 187392750 /nfs/dbraw/zinc/39/27/50/187392750.db2.gz OECZUCQWYKMWPQ-QWHCGFSZSA-N 2 0 228.380 1.467 20 0 BDADRP CC1(C)SC[C@@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000307093284 187392847 /nfs/dbraw/zinc/39/28/47/187392847.db2.gz CSUDBBIHBROWPX-ZJUUUORDSA-N 2 0 214.378 1.612 20 0 BDADRP C([NH2+]C1CCCCC1)[C@@H]1C[NH2+]CCCO1 ZINC000335627682 187393112 /nfs/dbraw/zinc/39/31/12/187393112.db2.gz GLPCDFJLURGYJV-LBPRGKRZSA-N 2 0 212.337 1.287 20 0 BDADRP C[C@@H]1CC[C@H](CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)O1 ZINC000251569671 362887042 /nfs/dbraw/zinc/88/70/42/362887042.db2.gz BQLFTVGIXYPYOE-FVCCEPFGSA-N 2 0 224.348 1.380 20 0 BDADRP C[C@@H]([NH3+])CCC(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000070315879 349993634 /nfs/dbraw/zinc/99/36/34/349993634.db2.gz BNLVHOVLSMLQDV-LLVKDONJSA-N 2 0 249.358 1.814 20 0 BDADRP C[C@H](CCCCO)[NH2+]CCCC[NH+](C)C ZINC000389969595 538009733 /nfs/dbraw/zinc/00/97/33/538009733.db2.gz ZFSZMSVPXAASPP-GFCCVEGCSA-N 2 0 216.369 1.469 20 0 BDADRP Cc1cnc(CN(C)CC2CC[NH+](C)CC2)o1 ZINC000075738492 348876107 /nfs/dbraw/zinc/87/61/07/348876107.db2.gz JOLJKMGMHQPIIX-UHFFFAOYSA-N 2 0 237.347 1.757 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CCCOC1)C[NH+]1CCCCC1 ZINC000070464855 490215615 /nfs/dbraw/zinc/21/56/15/490215615.db2.gz XCOFYJDWYKDMKI-ZIAGYGMSSA-N 2 0 240.391 1.877 20 0 BDADRP COC[C@@H](C)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000253110352 349224159 /nfs/dbraw/zinc/22/41/59/349224159.db2.gz GDFAZGAUGUMLHW-RYUDHWBXSA-N 2 0 214.353 1.472 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@H]1CCCOC1 ZINC000252109825 349196793 /nfs/dbraw/zinc/19/67/93/349196793.db2.gz JKKMCGOAWBBARK-UTUOFQBUSA-N 2 0 212.337 1.225 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CCSC)[C@@H](C)C1 ZINC000221754132 349290034 /nfs/dbraw/zinc/29/00/34/349290034.db2.gz KWWOFWUPDSJOMM-QWRGUYRKSA-N 2 0 216.394 1.669 20 0 BDADRP CSC1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000300832901 349357850 /nfs/dbraw/zinc/35/78/50/349357850.db2.gz KRJXKRVUFJGFIX-LLVKDONJSA-N 2 0 228.405 1.813 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2cnccn2)CC1 ZINC000070479538 350014210 /nfs/dbraw/zinc/01/42/10/350014210.db2.gz OSISIYXGDHSWOV-LBPRGKRZSA-N 2 0 248.374 1.859 20 0 BDADRP CC[NH+](CC)CCCN1CCC2(CC[NH2+]2)CC1 ZINC000422632967 192432025 /nfs/dbraw/zinc/43/20/25/192432025.db2.gz HMNUVADSCXLMPC-UHFFFAOYSA-N 2 0 239.407 1.546 20 0 BDADRP CC(C)[C@@H](CO)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000132170484 191026018 /nfs/dbraw/zinc/02/60/18/191026018.db2.gz DOTDWQFRHDVYEW-MGPQQGTHSA-N 2 0 234.343 1.738 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCC1CCOCC1 ZINC000422731739 192445755 /nfs/dbraw/zinc/44/57/55/192445755.db2.gz OCMDHKCTLRPCEF-GXTWGEPZSA-N 2 0 240.391 1.781 20 0 BDADRP CC[NH+](CC)C[C@@H](C)N[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422712559 192439822 /nfs/dbraw/zinc/43/98/22/192439822.db2.gz INWDJZKYMWWXOZ-UPJWGTAASA-N 2 0 227.396 1.447 20 0 BDADRP C[C@H]([NH2+]CCC[NH+]1CCCC1)[C@H]1CCOC1 ZINC000132248804 191029719 /nfs/dbraw/zinc/02/97/19/191029719.db2.gz YBMINTWUQYJWDN-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCO2)CC[N@@H+]1C ZINC000132835895 191035730 /nfs/dbraw/zinc/03/57/30/191035730.db2.gz LOOBJBFPGJOIDU-UPJWGTAASA-N 2 0 226.364 1.628 20 0 BDADRP COC(=O)C(C)(C)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000304343435 350155154 /nfs/dbraw/zinc/15/51/54/350155154.db2.gz BQQFGRGAZNSMBA-VHSXEESVSA-N 2 0 228.336 1.045 20 0 BDADRP Cc1ncc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)s1 ZINC000122328199 180146733 /nfs/dbraw/zinc/14/67/33/180146733.db2.gz CSDMFMUZWMTKSO-WPRPVWTQSA-N 2 0 225.361 1.621 20 0 BDADRP Cc1nccc(NC[C@H]2CC[N@@H+](C)C2)n1 ZINC000054935904 180200904 /nfs/dbraw/zinc/20/09/04/180200904.db2.gz YMGBBMZDRHZHEJ-SNVBAGLBSA-N 2 0 206.293 1.149 20 0 BDADRP Cc1nccc(NC[C@H]2CCC[N@@H+](C)C2)n1 ZINC000054936348 180201662 /nfs/dbraw/zinc/20/16/62/180201662.db2.gz LIRGBAQTWBDHRP-LLVKDONJSA-N 2 0 220.320 1.539 20 0 BDADRP Cc1ncccc1C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000310424710 180221308 /nfs/dbraw/zinc/22/13/08/180221308.db2.gz LRMJZCVXUBJKHF-BXUZGUMPSA-N 2 0 233.359 1.807 20 0 BDADRP Cc1nn(C)cc1C[NH2+]CCCC[NH+](C)C ZINC000126006806 191082360 /nfs/dbraw/zinc/08/23/60/191082360.db2.gz MAKXYYZJASNPEN-UHFFFAOYSA-N 2 0 224.352 1.160 20 0 BDADRP CCCC[C@H](COC)[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422761650 192458798 /nfs/dbraw/zinc/45/87/98/192458798.db2.gz RJVSAJFCVLFXOM-GRYCIOLGSA-N 2 0 216.369 1.907 20 0 BDADRP CC(C)[NH+](CCN[C@H]1CCC[C@@H]1[NH3+])C(C)C ZINC000422765991 192460259 /nfs/dbraw/zinc/46/02/59/192460259.db2.gz WUAGWZLRVJGJIQ-STQMWFEESA-N 2 0 227.396 1.575 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCn1cnc2ccccc21 ZINC000422772156 192462158 /nfs/dbraw/zinc/46/21/58/192462158.db2.gz YXGCTWPWRGRIDU-VXGBXAGGSA-N 2 0 246.358 1.752 20 0 BDADRP CSC[C@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422757330 192456833 /nfs/dbraw/zinc/45/68/33/192456833.db2.gz MLGJKIBAWCXKRS-WHXUTIOJSA-N 2 0 216.394 1.845 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+]CCCC[NH3+])C12CCC2 ZINC000083684782 350289653 /nfs/dbraw/zinc/28/96/53/350289653.db2.gz UINHGMPYZZBURZ-RYUDHWBXSA-N 2 0 226.364 1.663 20 0 BDADRP Cc1ncsc1CC[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000228079809 180308423 /nfs/dbraw/zinc/30/84/23/180308423.db2.gz SXLOFNQZYGEJKN-KOLCDFICSA-N 2 0 239.388 1.663 20 0 BDADRP C[C@@H](CC1CC1)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000069665523 350376987 /nfs/dbraw/zinc/37/69/87/350376987.db2.gz HRRXNKDAHHATNY-WCQYABFASA-N 2 0 226.364 1.221 20 0 BDADRP CC[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000309253542 323332982 /nfs/dbraw/zinc/33/29/82/323332982.db2.gz NRQDEHOMIAYHDP-OLZOCXBDSA-N 2 0 228.380 1.421 20 0 BDADRP C[C@@]1(C(=O)Nc2ccc(C[NH3+])cc2)CCCC[NH2+]1 ZINC000131329126 191099523 /nfs/dbraw/zinc/09/95/23/191099523.db2.gz KAQVNCNQHZVJMA-AWEZNQCLSA-N 2 0 247.342 1.616 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C2CCC([NH3+])CC2)[C@@H](C)O1 ZINC000384661179 350443559 /nfs/dbraw/zinc/44/35/59/350443559.db2.gz WAOAEQHGLASMKV-PSEORLGDSA-N 2 0 212.337 1.412 20 0 BDADRP C([NH2+]C[C@H]1CCC[NH2+]C1)[C@@H]1CCSC1 ZINC000228553601 191105824 /nfs/dbraw/zinc/10/58/24/191105824.db2.gz HMMGFFJMGPRJKK-QWRGUYRKSA-N 2 0 214.378 1.329 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH2+]CC2)[C@H](C)O1 ZINC000384726389 350493080 /nfs/dbraw/zinc/49/30/80/350493080.db2.gz JCWYXQJGDXWAKA-JFGNBEQYSA-N 2 0 212.337 1.142 20 0 BDADRP CC[NH+]1CCC(NC[C@H](C)C[NH+](C)C)CC1 ZINC000336653227 350586862 /nfs/dbraw/zinc/58/68/62/350586862.db2.gz GBRRMYFRXLQPMN-LBPRGKRZSA-N 2 0 227.396 1.258 20 0 BDADRP CO[C@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000577528237 365978372 /nfs/dbraw/zinc/97/83/72/365978372.db2.gz GSBUQFFCUPZMLK-VOAKCMCISA-N 2 0 226.364 1.804 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H]2CC[C@@H](C)O2)CC[C@H]1[NH3+] ZINC000251865285 362972237 /nfs/dbraw/zinc/97/22/37/362972237.db2.gz TZBXVQJDUAHLEG-FVCCEPFGSA-N 2 0 226.364 1.613 20 0 BDADRP CCOCCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000336684311 350920339 /nfs/dbraw/zinc/92/03/39/350920339.db2.gz FAALJTOTVAJJAB-UONOGXRCSA-N 2 0 240.391 1.829 20 0 BDADRP C[N@@H+]1CC[C@H](C[NH2+][C@H]2CCSC2)C1 ZINC000250563175 350882104 /nfs/dbraw/zinc/88/21/04/350882104.db2.gz CVVQDPHRRJZZGI-ZJUUUORDSA-N 2 0 200.351 1.033 20 0 BDADRP CCc1cc(NCC[N@H+](C)C(C)C)ncn1 ZINC000054128181 351290434 /nfs/dbraw/zinc/29/04/34/351290434.db2.gz ZEGBIEJWNBKEJV-UHFFFAOYSA-N 2 0 222.336 1.791 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)[C@H]1CCCOC1 ZINC000388813256 363022063 /nfs/dbraw/zinc/02/20/63/363022063.db2.gz DFGWEFXZRNMJPT-YPMHNXCESA-N 2 0 226.364 1.391 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000414671201 351578584 /nfs/dbraw/zinc/57/85/84/351578584.db2.gz NJXIEXZFNXXLOO-IGQOVBAYSA-N 3 0 239.407 1.419 20 0 BDADRP [NH3+]CCCN1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000414671186 351578671 /nfs/dbraw/zinc/57/86/71/351578671.db2.gz FNRRDCDFEDVAQN-CYBMUJFWSA-N 2 0 238.306 1.548 20 0 BDADRP C[NH2+]Cc1ccccc1NC(=O)C[C@H](C)[NH3+] ZINC000637806876 351643850 /nfs/dbraw/zinc/64/38/50/351643850.db2.gz ALMUUDCLBGTVKH-VIFPVBQESA-N 2 0 221.304 1.082 20 0 BDADRP CC[NH2+][C@H](C)C(=O)NCC1([NH3+])CCCCCC1 ZINC000637807608 351644695 /nfs/dbraw/zinc/64/46/95/351644695.db2.gz JZKNIVVBMIUWBY-LLVKDONJSA-N 2 0 241.379 1.152 20 0 BDADRP CC[NH2+][C@H](C)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000637859979 351721003 /nfs/dbraw/zinc/72/10/03/351721003.db2.gz JBZDMCJTGXKTAJ-WDEREUQCSA-N 2 0 249.358 1.321 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000637852229 351711443 /nfs/dbraw/zinc/71/14/43/351711443.db2.gz VCRNKUYXUYXGGQ-AAEUAGOBSA-N 2 0 243.395 1.240 20 0 BDADRP CC[C@H](C(=O)N[C@@](C)(C[NH3+])CC(C)C)[NH+](C)C ZINC000637852665 351712172 /nfs/dbraw/zinc/71/21/72/351712172.db2.gz WSGATYSACRHUFF-DGCLKSJQSA-N 2 0 243.395 1.206 20 0 BDADRP C[N@@H+](Cc1ccc(=O)[nH]c1)CC1CC[NH+](C)CC1 ZINC000638029886 351910714 /nfs/dbraw/zinc/91/07/14/351910714.db2.gz XDOLYSSIXDSXRT-UHFFFAOYSA-N 2 0 249.358 1.561 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@@H](C)CC[NH+](C)C ZINC000638084418 351960150 /nfs/dbraw/zinc/96/01/50/351960150.db2.gz LJBXYHPAWVMSAG-RYUDHWBXSA-N 2 0 243.395 1.206 20 0 BDADRP CCC[NH2+]CCNC1CC[NH+](CCC)CC1 ZINC000414870309 351988429 /nfs/dbraw/zinc/98/84/29/351988429.db2.gz MFPVPMWRPPFDGC-UHFFFAOYSA-N 2 0 227.396 1.450 20 0 BDADRP CC(C)C1(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000638186444 352051288 /nfs/dbraw/zinc/05/12/88/352051288.db2.gz UBRMQBKQWIFBMN-TXEJJXNPSA-N 2 0 208.349 1.574 20 0 BDADRP C[C@H]([NH2+]CCC[NH+](C)C)[C@@H]1CC1(F)F ZINC000638290930 352125083 /nfs/dbraw/zinc/12/50/83/352125083.db2.gz WMCFQLWFWFIVEX-IUCAKERBSA-N 2 0 206.280 1.571 20 0 BDADRP CCN1CCC[C@@H]1C[NH2+]C1CC(n2cccn2)C1 ZINC000638281630 352117041 /nfs/dbraw/zinc/11/70/41/352117041.db2.gz SZCWXZKINXNFNN-ROKHWSDSSA-N 2 0 248.374 1.661 20 0 BDADRP C(C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)C[C@H]1CCO1 ZINC000638360156 352171010 /nfs/dbraw/zinc/17/10/10/352171010.db2.gz TXJUTENOUKXDMS-JSGCOSHPSA-N 2 0 238.375 1.629 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+]C2CC(n3cccn3)C2)C1 ZINC000638381345 352193000 /nfs/dbraw/zinc/19/30/00/352193000.db2.gz KIVSWSOQXXBNDO-IYXRBSQSSA-N 2 0 248.374 1.518 20 0 BDADRP CCc1nc(C)cc(NCC[N@@H+](C)CC)n1 ZINC000288211842 352143097 /nfs/dbraw/zinc/14/30/97/352143097.db2.gz CIJYOUZIECJWAQ-UHFFFAOYSA-N 2 0 222.336 1.711 20 0 BDADRP CC(C)CC[C@@H]([NH3+])C(=O)NCC1([NH3+])CCCC1 ZINC000638410533 352219298 /nfs/dbraw/zinc/21/92/98/352219298.db2.gz FIKCODWHECWFAA-LLVKDONJSA-N 2 0 241.379 1.138 20 0 BDADRP CC(C)COCC[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000261536986 535176651 /nfs/dbraw/zinc/17/66/51/535176651.db2.gz ULLLLBHXCBDGJH-VXGBXAGGSA-N 2 0 214.353 1.328 20 0 BDADRP C(C[NH2+][C@H]1CCN(CC2CC2)C1)C[C@H]1CCO1 ZINC000638581597 352412860 /nfs/dbraw/zinc/41/28/60/352412860.db2.gz CJKFNWPQHBHOEE-KBPBESRZSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@H](Cc1cnccn1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000638589373 352420918 /nfs/dbraw/zinc/42/09/18/352420918.db2.gz TVOPCWFJASOHMK-OLZOCXBDSA-N 2 0 248.374 1.339 20 0 BDADRP C[N@H+](CCc1ccncc1)C[C@@H]1CCC[NH2+]C1 ZINC000041261878 352605421 /nfs/dbraw/zinc/60/54/21/352605421.db2.gz BVAKBFHEZGCWMT-CQSZACIVSA-N 2 0 233.359 1.556 20 0 BDADRP CCC[N@H+](CC)CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000300367972 352560626 /nfs/dbraw/zinc/56/06/26/352560626.db2.gz ONCRVRJGTWQCBW-QWHCGFSZSA-N 2 0 227.396 1.578 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[C@H](O)C2)C1 ZINC000300377536 352561452 /nfs/dbraw/zinc/56/14/52/352561452.db2.gz QZTKOVMFJQZVJE-NDBYEHHHSA-N 2 0 226.364 1.397 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCO[C@H]2C2CC2)C1 ZINC000300384614 352562005 /nfs/dbraw/zinc/56/20/05/352562005.db2.gz JFVIRNZTIXDQLG-VOAKCMCISA-N 2 0 224.348 1.413 20 0 BDADRP C[N@H+](CCC1CC[NH2+]CC1)C[C@@H]1CCCCO1 ZINC000042464370 352622597 /nfs/dbraw/zinc/62/25/97/352622597.db2.gz IGOSXRJGGIUWSJ-AWEZNQCLSA-N 2 0 240.391 1.877 20 0 BDADRP CC(C)(O)C[NH+]1CCC([NH2+]C2CC=CC2)CC1 ZINC000638759481 352696553 /nfs/dbraw/zinc/69/65/53/352696553.db2.gz KLACJKQJKKWLFN-UHFFFAOYSA-N 2 0 238.375 1.530 20 0 BDADRP C[C@@H]1CN(C)C[C@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000334177189 352762532 /nfs/dbraw/zinc/76/25/32/352762532.db2.gz DHYVRMNFVLEIOD-CHWSQXEVSA-N 2 0 239.407 1.258 20 0 BDADRP C[N@H+]1CC=C(C[NH2+]CCC[C@@H]2CCO2)CC1 ZINC000638838320 353023290 /nfs/dbraw/zinc/02/32/90/353023290.db2.gz GCSQXMQQXRNSSI-CYBMUJFWSA-N 2 0 224.348 1.407 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638821911 353002575 /nfs/dbraw/zinc/00/25/75/353002575.db2.gz DDNXXAHVOQFWLX-AAEUAGOBSA-N 2 0 241.379 1.234 20 0 BDADRP C([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCCO1 ZINC000127726794 188084829 /nfs/dbraw/zinc/08/48/29/188084829.db2.gz LJVZVUQDZNIGEK-XQQFMLRXSA-N 2 0 224.348 1.382 20 0 BDADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)C(C)(C)C ZINC000336759166 353169074 /nfs/dbraw/zinc/16/90/74/353169074.db2.gz ZYVSMKIMLNYMHZ-LLVKDONJSA-N 2 0 228.380 1.467 20 0 BDADRP C(C[NH+]1CCCCC1)O[C@@H]1CCC[NH2+]C1 ZINC000051787188 188157082 /nfs/dbraw/zinc/15/70/82/188157082.db2.gz AWISSAOMJWCGMB-GFCCVEGCSA-N 2 0 212.337 1.241 20 0 BDADRP CC(C)C[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000262586976 188193188 /nfs/dbraw/zinc/19/31/88/188193188.db2.gz PFEORSRRWMEFGV-QWHCGFSZSA-N 2 0 249.358 1.176 20 0 BDADRP C[C@@]1(C[NH3+])CCN(Cc2ccccc2C#N)C1 ZINC000383469391 353246767 /nfs/dbraw/zinc/24/67/67/353246767.db2.gz PEMMAGXXOQQFEM-AWEZNQCLSA-N 2 0 229.327 1.729 20 0 BDADRP C(C[NH2+][C@H]1CCSC1)C[NH+]1CCCCC1 ZINC000020128716 188175103 /nfs/dbraw/zinc/17/51/03/188175103.db2.gz CBCXEAWTIBXIBK-LBPRGKRZSA-N 2 0 228.405 1.958 20 0 BDADRP CC(C)[C@H](O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000336668203 188181476 /nfs/dbraw/zinc/18/14/76/188181476.db2.gz RUVZQHYQSRDKED-CHWSQXEVSA-N 2 0 228.380 1.277 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCSC2)C1 ZINC000061589313 188184008 /nfs/dbraw/zinc/18/40/08/188184008.db2.gz BMWVBTQUBNVMLF-NWDGAFQWSA-N 2 0 228.405 1.813 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]C2CCC(O)CC2)CC1 ZINC000019918516 188192944 /nfs/dbraw/zinc/19/29/44/188192944.db2.gz GQXPBKHIRSPYBN-UHFFFAOYSA-N 2 0 240.391 1.752 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000043428077 188217074 /nfs/dbraw/zinc/21/70/74/188217074.db2.gz RXNPTMKGQXEAGH-KBPBESRZSA-N 2 0 238.375 1.629 20 0 BDADRP [NH3+][C@H]1CC[C@H](NC(=O)C2([NH3+])CCCCC2)CC1 ZINC000639022244 353277644 /nfs/dbraw/zinc/27/76/44/353277644.db2.gz JTUIKKVTRHXRHW-XYPYZODXSA-N 2 0 239.363 1.034 20 0 BDADRP C=Cn1cc(C[NH2+][C@@H]2CN(C3CC3)C[C@H]2C)cn1 ZINC000278931144 188203769 /nfs/dbraw/zinc/20/37/69/188203769.db2.gz WFICZRZHSSWDFR-BXUZGUMPSA-N 2 0 246.358 1.556 20 0 BDADRP C([C@H]1CCC[NH2+]C1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000336521414 188230639 /nfs/dbraw/zinc/23/06/39/188230639.db2.gz TUDWFBJTLPMYGU-ZDUSSCGKSA-N 3 0 237.391 1.062 20 0 BDADRP Cc1nn(C)cc1CNC[C@H](C)C[NH+](C)C ZINC000291752544 188223771 /nfs/dbraw/zinc/22/37/71/188223771.db2.gz QIPZRGGXJMQCOR-JTQLQIEISA-N 2 0 224.352 1.016 20 0 BDADRP CC(C)(O)CC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000331892374 188227155 /nfs/dbraw/zinc/22/71/55/188227155.db2.gz DKFRZWWBUAEYAO-MNOVXSKESA-N 2 0 214.353 1.397 20 0 BDADRP CC(C)CCC[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000336691425 538117525 /nfs/dbraw/zinc/11/75/25/538117525.db2.gz HATVOYAKXASVDI-AWEZNQCLSA-N 2 0 239.407 1.402 20 0 BDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1ccccc1 ZINC000405461626 353497031 /nfs/dbraw/zinc/49/70/31/353497031.db2.gz IUROQWWGKUNSIR-RYUDHWBXSA-N 2 0 204.317 1.902 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H](CO)c2cccnc2)C1 ZINC000577865695 366091458 /nfs/dbraw/zinc/09/14/58/366091458.db2.gz KIGOYIORGATVSH-MGPQQGTHSA-N 2 0 249.358 1.017 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H](CO)c2cccnc2)C1 ZINC000577865693 366091499 /nfs/dbraw/zinc/09/14/99/366091499.db2.gz KIGOYIORGATVSH-BFHYXJOUSA-N 2 0 249.358 1.017 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000577887033 366096220 /nfs/dbraw/zinc/09/62/20/366096220.db2.gz BHDFSAHMGXABNP-KXNHARMFSA-N 2 0 212.337 1.413 20 0 BDADRP CC(C)C1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000232537728 353736418 /nfs/dbraw/zinc/73/64/18/353736418.db2.gz WUBLDJWZBZEMLX-UHFFFAOYSA-N 2 0 239.407 1.260 20 0 BDADRP CC[N@H+](C[C@H]1CCCO1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000233481384 353823236 /nfs/dbraw/zinc/82/32/36/353823236.db2.gz XAIQCHNTBQJXPS-BFHYXJOUSA-N 2 0 240.391 1.875 20 0 BDADRP CC[NH+]1C[C@@H](C)[C@@H](NC[C@H]2CC[N@@H+](CC)C2)C1 ZINC000343557948 353921123 /nfs/dbraw/zinc/92/11/23/353921123.db2.gz GOHAHIVIBIXIQJ-MCIONIFRSA-N 2 0 239.407 1.258 20 0 BDADRP C[C@H]1CC[C@@H]1[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639165895 354000887 /nfs/dbraw/zinc/00/08/87/354000887.db2.gz ATMULNZQCSFRRG-AAEUAGOBSA-N 2 0 240.391 1.610 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000038040557 358482461 /nfs/dbraw/zinc/48/24/61/358482461.db2.gz HIAHBPUSGDUXOM-ZDUSSCGKSA-N 3 0 241.423 1.839 20 0 BDADRP CC[N@H+](CCN[C@H]1C[NH+](CC)C[C@@H]1C)C(C)C ZINC000343907990 354036533 /nfs/dbraw/zinc/03/65/33/354036533.db2.gz GYKIPJIGCZZOBM-KBPBESRZSA-N 2 0 241.423 1.647 20 0 BDADRP C[C@H]1C[N@H+](C)C[C@@H]1NCC[NH+](C)C1CCCC1 ZINC000344226790 354183715 /nfs/dbraw/zinc/18/37/15/354183715.db2.gz DMGVHZJJLBEOPF-JSGCOSHPSA-N 2 0 239.407 1.401 20 0 BDADRP C[N@H+](C[C@H]1CCOC1)[C@@H]1CCC[NH2+]CC1 ZINC000231669136 363347661 /nfs/dbraw/zinc/34/76/61/363347661.db2.gz CGAIQBLTQDXZFI-VXGBXAGGSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000344331020 354227103 /nfs/dbraw/zinc/22/71/03/354227103.db2.gz ONQSEEWSNXMLDQ-DOMZBBRYSA-N 2 0 249.402 1.321 20 0 BDADRP CC[NH+]1CCC(N[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000334615413 354301818 /nfs/dbraw/zinc/30/18/18/354301818.db2.gz IXQBLFLMLYWRKE-CHWSQXEVSA-N 2 0 225.380 1.330 20 0 BDADRP CCC[N@H+](CC)CCN[C@@H]1C[NH+](CC)C[C@H]1C ZINC000344772172 354359946 /nfs/dbraw/zinc/35/99/46/354359946.db2.gz MMWWIBIADFUOHD-ZIAGYGMSSA-N 2 0 241.423 1.648 20 0 BDADRP C[C@@H](O)CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000334624978 354364115 /nfs/dbraw/zinc/36/41/15/354364115.db2.gz SEEGXRPWHTWIFS-OLZOCXBDSA-N 2 0 226.364 1.175 20 0 BDADRP CC[C@@H](CSC)[NH2+][C@@H](CCC[NH3+])COC ZINC000233877391 363409478 /nfs/dbraw/zinc/40/94/78/363409478.db2.gz GAGDNTGOHCLTSN-QWRGUYRKSA-N 2 0 234.409 1.472 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CC(C)(C)C ZINC000234711593 363428115 /nfs/dbraw/zinc/42/81/15/363428115.db2.gz ULLVHRNBJDWCCS-SNVBAGLBSA-N 2 0 202.342 1.376 20 0 BDADRP CCC[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])OCC ZINC000530212541 324527565 /nfs/dbraw/zinc/52/75/65/324527565.db2.gz QSMKOLKEJVMRAW-JHJVBQTASA-N 2 0 228.380 1.909 20 0 BDADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccc2c1OCO2 ZINC000346688548 355014083 /nfs/dbraw/zinc/01/40/83/355014083.db2.gz XUQGCDBGGRGBNL-QWRGUYRKSA-N 2 0 248.326 1.584 20 0 BDADRP C[C@H]([NH3+])CN1CC[C@](C)(c2ccccc2)C1 ZINC000335229465 355071914 /nfs/dbraw/zinc/07/19/14/355071914.db2.gz GWJRGKVJJIUHGN-JSGCOSHPSA-N 2 0 218.344 1.997 20 0 BDADRP C[C@@H]([NH3+])c1ccc(N[C@@H]2CC[NH2+]C2)cc1 ZINC000335182587 355080493 /nfs/dbraw/zinc/08/04/93/355080493.db2.gz WQAWVFGTZZNICZ-BXKDBHETSA-N 2 0 205.305 1.480 20 0 BDADRP CC(C)(C)[NH2+]CCN[C@@H]1CC[NH2+]C12CCC2 ZINC000530244807 324555380 /nfs/dbraw/zinc/55/53/80/324555380.db2.gz PAPOCVSTYABXMP-LLVKDONJSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2CCC[NH+](C)[C@@H]2C)CC[N@@H+]1C ZINC000346803363 355109348 /nfs/dbraw/zinc/10/93/48/355109348.db2.gz VJOMGJCGGFCHSX-AAVRWANBSA-N 2 0 239.407 1.541 20 0 BDADRP CCC[NH+]1CCC(N(C)CC(C)(C)[NH3+])CC1 ZINC000346835814 355131472 /nfs/dbraw/zinc/13/14/72/355131472.db2.gz OEATVRONFUTSBD-UHFFFAOYSA-N 2 0 227.396 1.530 20 0 BDADRP Cc1noc([C@@H]2CCCN(CC(C)(C)[NH3+])C2)n1 ZINC000346841309 355133597 /nfs/dbraw/zinc/13/35/97/355133597.db2.gz VNPSPQKAQBJHPL-SNVBAGLBSA-N 2 0 238.335 1.295 20 0 BDADRP CC[N@@H+]1CC[C@H](N(C)CC(C)(C)[NH3+])[C@H](C)C1 ZINC000346973902 355209275 /nfs/dbraw/zinc/20/92/75/355209275.db2.gz IMHYYNQKJWRSLO-NEPJUHHUSA-N 2 0 227.396 1.386 20 0 BDADRP C[N@H+](C[C@H]1CCC[C@H]1O)CC1CC[NH2+]CC1 ZINC000346988579 355189406 /nfs/dbraw/zinc/18/94/06/355189406.db2.gz RJPIZXXFOCGQJG-CHWSQXEVSA-N 2 0 226.364 1.079 20 0 BDADRP CCCc1nccn1CCN1CCOC[C@@H]1C ZINC000412996550 191332593 /nfs/dbraw/zinc/33/25/93/191332593.db2.gz FMVYTSRYBWZWQT-LBPRGKRZSA-N 2 0 237.347 1.556 20 0 BDADRP CC[NH2+]CC1CC[NH+](Cc2c[nH]nc2C)CC1 ZINC000347004690 355201885 /nfs/dbraw/zinc/20/18/85/355201885.db2.gz AOMCTGQSPSJYDZ-UHFFFAOYSA-N 2 0 236.363 1.540 20 0 BDADRP CC[C@@H](C[N@H+](C)C[C@@H]1CCC[NH+](C)C1)OC ZINC000412979335 191347965 /nfs/dbraw/zinc/34/79/65/191347965.db2.gz TYBJFWRAPFJTKG-OLZOCXBDSA-N 2 0 228.380 1.685 20 0 BDADRP CCCCOCC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113516119 355252849 /nfs/dbraw/zinc/25/28/49/355252849.db2.gz ICJAZTPLRUNNPB-ZDUSSCGKSA-N 2 0 228.380 1.687 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c[nH]nc3c2)CC[NH2+]1 ZINC000335641648 355330752 /nfs/dbraw/zinc/33/07/52/355330752.db2.gz VFVZUTVLYLTKAD-ZWNOBZJWSA-N 2 0 244.342 1.793 20 0 BDADRP CCOC(=O)[C@H](CC)[NH+]1CCC(CC[NH3+])CC1 ZINC000084105482 355287789 /nfs/dbraw/zinc/28/77/89/355287789.db2.gz WVZMJFFECGEOEY-LBPRGKRZSA-N 2 0 242.363 1.389 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@H]2CCC[C@H]([NH3+])C2)CCO1 ZINC000388975921 355382301 /nfs/dbraw/zinc/38/23/01/355382301.db2.gz ZAIUJDDRNDOUKH-NDBYEHHHSA-N 2 0 226.364 1.661 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000414700309 191549986 /nfs/dbraw/zinc/54/99/86/191549986.db2.gz JMGKEJKKPCCIIB-ZIAGYGMSSA-N 2 0 241.423 1.633 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN(C)C1(C[NH3+])CCC1 ZINC000414798861 191570473 /nfs/dbraw/zinc/57/04/73/191570473.db2.gz ZNHYZKYXUXWVGJ-LLVKDONJSA-N 2 0 213.369 1.173 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000414831708 191592049 /nfs/dbraw/zinc/59/20/49/191592049.db2.gz DMGOJPVZFJPGCJ-AVGNSLFASA-N 2 0 228.380 1.635 20 0 BDADRP C[N@H+](CCCCO)CCC[NH+]1CCCCC1 ZINC000349954446 355536667 /nfs/dbraw/zinc/53/66/67/355536667.db2.gz LCHUPYQWUQDIPO-UHFFFAOYSA-N 2 0 228.380 1.567 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414909360 191622271 /nfs/dbraw/zinc/62/22/71/191622271.db2.gz RPVYISCJKQVYBP-OLZOCXBDSA-N 3 0 239.407 1.496 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1C[C@@H]([NH3+])Cc2ccccc21 ZINC000415133764 191683994 /nfs/dbraw/zinc/68/39/94/191683994.db2.gz GCHTUTVZMLGMPN-KGLIPLIRSA-N 2 0 247.386 1.750 20 0 BDADRP CCC[C@H](C[N@H+](C)CC1CN(C)C1)OC ZINC000639310001 355666609 /nfs/dbraw/zinc/66/66/09/355666609.db2.gz QHZPZSIDEWSWBP-GFCCVEGCSA-N 2 0 214.353 1.295 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1CC1(F)F ZINC000639313492 355690961 /nfs/dbraw/zinc/69/09/61/355690961.db2.gz WFJRYZTXRPDFSE-ZNSHCXBVSA-N 2 0 232.318 1.960 20 0 BDADRP CO[C@@](C)(C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)C1CC1 ZINC000639312630 355675946 /nfs/dbraw/zinc/67/59/46/355675946.db2.gz LLHIRSXJWNNPNQ-YUTCNCBUSA-N 2 0 240.391 1.731 20 0 BDADRP CSCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129640835 355765703 /nfs/dbraw/zinc/76/57/03/355765703.db2.gz ZHOJNMNVQOYGNL-NXEZZACHSA-N 2 0 202.367 1.422 20 0 BDADRP C[C@@]1(O)C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000417413860 191834940 /nfs/dbraw/zinc/83/49/40/191834940.db2.gz XWCFIZHVCSNZSW-WUHRBBMRSA-N 2 0 224.348 1.116 20 0 BDADRP CC(C)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000070585083 535290796 /nfs/dbraw/zinc/29/07/96/535290796.db2.gz ANZKXSWTJPJAMV-LBPRGKRZSA-N 2 0 225.380 1.153 20 0 BDADRP CN1CC[N@H+](CC2CC[NH2+]CC2)C(C)(C)C1 ZINC000336053395 134061101 /nfs/dbraw/zinc/06/11/01/134061101.db2.gz PEVGDCYPJNHAFX-UHFFFAOYSA-N 2 0 225.380 1.012 20 0 BDADRP CC(C)[N@@H+]1CCCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000336054938 134066040 /nfs/dbraw/zinc/06/60/40/134066040.db2.gz PPHOVGFBAKYFMH-CQSZACIVSA-N 2 0 239.407 1.402 20 0 BDADRP CC1([NH2+]Cc2cc(-n3ccnc3)cs2)COC1 ZINC000639380451 355917831 /nfs/dbraw/zinc/91/78/31/355917831.db2.gz FOEGUJIFIBZEJU-UHFFFAOYSA-N 2 0 249.339 1.812 20 0 BDADRP CC(C)n1ccnc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351496328 356002809 /nfs/dbraw/zinc/00/28/09/356002809.db2.gz RBIRTZAKHPHQNS-RWMBFGLXSA-N 2 0 248.374 1.633 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCN(C)c2ccccc2)C1 ZINC000351863475 356100071 /nfs/dbraw/zinc/10/00/71/356100071.db2.gz UBWTYRIOBSURGO-KBPBESRZSA-N 2 0 247.386 1.792 20 0 BDADRP CCn1ccnc1CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000335917576 356158117 /nfs/dbraw/zinc/15/81/17/356158117.db2.gz DLKLPUSAEQNWRC-CQSZACIVSA-N 2 0 248.374 1.431 20 0 BDADRP C(C[N@H+](C[C@@H]1CCOC1)C1CC1)[C@@H]1CC[NH2+]C1 ZINC000420299072 192205667 /nfs/dbraw/zinc/20/56/67/192205667.db2.gz GFHBKJWRODWHCY-STQMWFEESA-N 2 0 238.375 1.487 20 0 BDADRP FCCC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000420320998 192195464 /nfs/dbraw/zinc/19/54/64/192195464.db2.gz UZHDBOXPYMWWKL-LBPRGKRZSA-N 2 0 214.328 1.668 20 0 BDADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1cc[nH]n1 ZINC000420318650 192195860 /nfs/dbraw/zinc/19/58/60/192195860.db2.gz OHSUPZNGDOTANC-LLVKDONJSA-N 2 0 222.336 1.231 20 0 BDADRP CCOC(=O)CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420318636 192195867 /nfs/dbraw/zinc/19/58/67/192195867.db2.gz OEJAQKRAFVVZMW-FOSCPWQOSA-N 2 0 240.347 1.154 20 0 BDADRP C[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC000639490388 356308026 /nfs/dbraw/zinc/30/80/26/356308026.db2.gz YWGRLADUKLTNOV-OLZOCXBDSA-N 2 0 240.391 1.685 20 0 BDADRP C[NH2+]C[C@@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000420281885 192199637 /nfs/dbraw/zinc/19/96/37/192199637.db2.gz ASFZSVBNGMDCQI-AWEZNQCLSA-N 2 0 239.407 1.404 20 0 BDADRP CC[NH+](CC)CCCN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000420289665 192201320 /nfs/dbraw/zinc/20/13/20/192201320.db2.gz KPWIEKHIXHZSIF-KBPBESRZSA-N 3 0 241.423 1.778 20 0 BDADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420288584 192201335 /nfs/dbraw/zinc/20/13/35/192201335.db2.gz JIERRYFZIFDHPJ-STQMWFEESA-N 3 0 227.396 1.291 20 0 BDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420288583 192202048 /nfs/dbraw/zinc/20/20/48/192202048.db2.gz JIERRYFZIFDHPJ-QWHCGFSZSA-N 3 0 227.396 1.291 20 0 BDADRP CCCCC[N@H+](CCO)CC[C@@H]1CCC[NH2+]C1 ZINC000420295468 192203087 /nfs/dbraw/zinc/20/30/87/192203087.db2.gz AKWSLNFABUACBX-AWEZNQCLSA-N 2 0 242.407 1.861 20 0 BDADRP C[C@@H]1NCC[N@H+](CC[C@@H]2CCC[NH2+]C2)[C@H]1C ZINC000420315856 192213264 /nfs/dbraw/zinc/21/32/64/192213264.db2.gz SBIOGFCUXHULIB-AVGNSLFASA-N 2 0 225.380 1.058 20 0 BDADRP C[N@H+](CCC1CC[NH2+]CC1)C1(CN)CCC1 ZINC000420333899 192214092 /nfs/dbraw/zinc/21/40/92/192214092.db2.gz TXOLFOKTUYKQKD-UHFFFAOYSA-N 2 0 225.380 1.189 20 0 BDADRP C(CN1CC[C@@H]2C[NH2+]C[C@@H]21)[C@@H]1CCCCO1 ZINC000420330529 192214820 /nfs/dbraw/zinc/21/48/20/192214820.db2.gz ASYBJBGFIKIFBG-AGIUHOORSA-N 2 0 224.348 1.239 20 0 BDADRP CC(C)[C@H](C(=O)N(C)CC(C)(C)C[NH3+])[C@H](C)[NH3+] ZINC000422905480 192500999 /nfs/dbraw/zinc/50/09/99/192500999.db2.gz ZDSTWYGTWTWSRB-QWRGUYRKSA-N 2 0 243.395 1.049 20 0 BDADRP COCCCC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420338923 192216129 /nfs/dbraw/zinc/21/61/29/192216129.db2.gz YHANMGKEPJOHEE-ZIAGYGMSSA-N 2 0 240.391 1.735 20 0 BDADRP C(CN1CC[C@@H]2C[NH2+]C[C@@H]21)C[NH+]1CCCCC1 ZINC000420344651 192216204 /nfs/dbraw/zinc/21/62/04/192216204.db2.gz UMEFUECITLJIFG-KGLIPLIRSA-N 2 0 237.391 1.156 20 0 BDADRP Cc1nccn1CCC[N@@H+](C)C1CC([NH3+])C1 ZINC000420344335 192216399 /nfs/dbraw/zinc/21/63/99/192216399.db2.gz XUIHAZWVJGEQFS-UHFFFAOYSA-N 2 0 222.336 1.003 20 0 BDADRP C[C@@H]1CN(CCC[NH+]2CCCCC2)[C@H](C)C[NH2+]1 ZINC000420338748 192216531 /nfs/dbraw/zinc/21/65/31/192216531.db2.gz OTGQVRNIQHPZJM-ZIAGYGMSSA-N 2 0 239.407 1.545 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCO[C@H]2C)C1 ZINC000639510519 356343628 /nfs/dbraw/zinc/34/36/28/356343628.db2.gz BBRGJSVHTBKSRB-MELADBBJSA-N 2 0 240.391 1.685 20 0 BDADRP CC[C@@H]1Cc2ccccc2C[N@@H+]1CCOCC[NH3+] ZINC000420353236 192218175 /nfs/dbraw/zinc/21/81/75/192218175.db2.gz BLERLNCHJMRJAI-OAHLLOKOSA-N 2 0 248.370 1.799 20 0 BDADRP CC[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000420299500 192207907 /nfs/dbraw/zinc/20/79/07/192207907.db2.gz GQVMDDBADIEIHW-HZSPNIEDSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCCc2ccncc2)C1 ZINC000420305508 192208439 /nfs/dbraw/zinc/20/84/39/192208439.db2.gz KKEZKQSIEJNQDL-GXTWGEPZSA-N 2 0 233.359 1.683 20 0 BDADRP CCOC(=O)CCCC[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000420306999 192208473 /nfs/dbraw/zinc/20/84/73/192208473.db2.gz LOQWOKNKEHXERE-RYUDHWBXSA-N 2 0 242.363 1.389 20 0 BDADRP CCOC(=O)[C@@H](C)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000420307014 192208481 /nfs/dbraw/zinc/20/84/81/192208481.db2.gz LPRRYAAFLZCDOO-LLVKDONJSA-N 2 0 240.347 1.014 20 0 BDADRP CCOC[C@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420307643 192208778 /nfs/dbraw/zinc/20/87/78/192208778.db2.gz RPVLXTDNNKBTHP-KBPBESRZSA-N 2 0 240.391 1.735 20 0 BDADRP CC(C)(C)C[N@H+](CCCO)CC[C@@H]1CC[NH2+]C1 ZINC000420306621 192209740 /nfs/dbraw/zinc/20/97/40/192209740.db2.gz QOMVPFHKHXTKKN-ZDUSSCGKSA-N 2 0 242.407 1.717 20 0 BDADRP CC(C)OC(=O)CC[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000420312896 192210112 /nfs/dbraw/zinc/21/01/12/192210112.db2.gz JBNHJXMBFJJRTR-GFCCVEGCSA-N 2 0 242.363 1.531 20 0 BDADRP CCC[C@@H]1CNCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420310881 192210210 /nfs/dbraw/zinc/21/02/10/192210210.db2.gz QHBGVFNJNWOBJL-CHWSQXEVSA-N 2 0 225.380 1.060 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC[C@H]3CCC[NH2+]C3)C[C@H]12 ZINC000420314679 192212132 /nfs/dbraw/zinc/21/21/32/192212132.db2.gz WAVAWXIEZASFAC-YIYPIFLZSA-N 3 0 237.391 1.045 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCCc3ccncc3)C[C@H]12 ZINC000420315697 192212392 /nfs/dbraw/zinc/21/23/92/192212392.db2.gz XGDXWIFVEGIEGX-QLFBSQMISA-N 2 0 245.370 1.683 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cccnc1 ZINC000420369361 192226017 /nfs/dbraw/zinc/22/60/17/192226017.db2.gz ISFFFSWAMMAPBG-NEPJUHHUSA-N 2 0 219.332 1.732 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCC[C@@H]1c1c(C)n[nH]c1C ZINC000420367621 192226340 /nfs/dbraw/zinc/22/63/40/192226340.db2.gz HGBYXPPKJPZBDO-GFCCVEGCSA-N 2 0 236.363 1.773 20 0 BDADRP C[N@H+](CC[C@H]1CCCCO1)C1CC([NH3+])C1 ZINC000420322647 192227321 /nfs/dbraw/zinc/22/73/21/192227321.db2.gz AQJMXBSRCCBTHL-HTAVTVPLSA-N 2 0 212.337 1.367 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420322060 192227927 /nfs/dbraw/zinc/22/79/27/192227927.db2.gz RXXLKYPLOZHKJC-UPJWGTAASA-N 3 0 225.380 1.045 20 0 BDADRP COCCC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420324815 192229445 /nfs/dbraw/zinc/22/94/45/192229445.db2.gz HQDAAEHTFGVYSK-OLZOCXBDSA-N 2 0 226.364 1.344 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000383740018 491090497 /nfs/dbraw/zinc/09/04/97/491090497.db2.gz IDYGMBAKTWMGNB-MCIONIFRSA-N 2 0 240.391 1.419 20 0 BDADRP C[C@H]1CC[N@H+](CCC2CC[NH2+]CC2)[C@H](CN)C1 ZINC000420324554 192230189 /nfs/dbraw/zinc/23/01/89/192230189.db2.gz ATYDFJYKJIFIDX-JSGCOSHPSA-N 2 0 239.407 1.435 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420324884 192230561 /nfs/dbraw/zinc/23/05/61/192230561.db2.gz VPDJHLRXZHCAOU-UONOGXRCSA-N 3 0 239.407 1.260 20 0 BDADRP CC[NH+](CC)CCCN[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420357846 192219555 /nfs/dbraw/zinc/21/95/55/192219555.db2.gz DUHVZINIVAMFSW-BFHYXJOUSA-N 2 0 241.423 1.694 20 0 BDADRP C[NH2+]CCC[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000420358533 192220968 /nfs/dbraw/zinc/22/09/68/192220968.db2.gz JJQRKPYYCKAIKD-CYBMUJFWSA-N 2 0 226.364 1.487 20 0 BDADRP CC(C)(C)[C@H](CN)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000420359721 192221711 /nfs/dbraw/zinc/22/17/11/192221711.db2.gz KFJPBZLFUNJSNW-NEPJUHHUSA-N 2 0 227.396 1.339 20 0 BDADRP C[N@H+](C[C@H](O)C[NH3+])[C@@H]1CCc2ccc(F)cc21 ZINC000420361027 192221866 /nfs/dbraw/zinc/22/18/66/192221866.db2.gz XQDAWKPOXCWWBQ-DGCLKSJQSA-N 2 0 238.306 1.064 20 0 BDADRP CCOCCC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420361979 192222689 /nfs/dbraw/zinc/22/26/89/192222689.db2.gz HKYBUZAGRDDZPT-ZDUSSCGKSA-N 2 0 226.364 1.489 20 0 BDADRP C[C@@H]1CCN[C@H](C)[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000420365348 192223193 /nfs/dbraw/zinc/22/31/93/192223193.db2.gz LAUGORMZBJQBEE-BZPMIXESSA-N 2 0 239.407 1.352 20 0 BDADRP CCC[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000420364347 192223784 /nfs/dbraw/zinc/22/37/84/192223784.db2.gz QOKGUGJDFHQEFP-CQSZACIVSA-N 2 0 240.391 1.877 20 0 BDADRP CCC(C)(C)[C@@H]1CCC[N@@H+]1CCOCC[NH3+] ZINC000420365504 192224645 /nfs/dbraw/zinc/22/46/45/192224645.db2.gz DXSRLBBNIPWBHP-LBPRGKRZSA-N 2 0 228.380 1.862 20 0 BDADRP CCN1C[C@H](C)[N@H+](CC[C@@H]2CC[NH2+]C2)C[C@@H]1C ZINC000420366400 192225341 /nfs/dbraw/zinc/22/53/41/192225341.db2.gz ULPIZEQUXZINPV-IHRRRGAJSA-N 2 0 239.407 1.401 20 0 BDADRP COCC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420383692 192234812 /nfs/dbraw/zinc/23/48/12/192234812.db2.gz DNRSSHIOGOYZMU-NEPJUHHUSA-N 2 0 212.337 1.097 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000420404232 192237936 /nfs/dbraw/zinc/23/79/36/192237936.db2.gz LZGZEKAHQHMDRV-GJZGRUSLSA-N 2 0 248.370 1.963 20 0 BDADRP FCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420409950 192238845 /nfs/dbraw/zinc/23/88/45/192238845.db2.gz XRTGPZVEICGTFY-VXGBXAGGSA-N 2 0 214.328 1.810 20 0 BDADRP CC[C@H](C)[N@H+](CC[C@H]1CC[NH2+]C1)CC(=O)OC ZINC000420377075 192231180 /nfs/dbraw/zinc/23/11/80/192231180.db2.gz RNYCDYNOYVAPPM-NWDGAFQWSA-N 2 0 242.363 1.260 20 0 BDADRP C(CN1CC[C@@]12CCOC2)C[NH+]1CCCCC1 ZINC000421014364 192302080 /nfs/dbraw/zinc/30/20/80/192302080.db2.gz HIVYHGAPLCQUHK-AWEZNQCLSA-N 2 0 238.375 1.727 20 0 BDADRP C[C@@H]1CC[C@@H](O)C[N@@H+]1CCC[NH+]1CCCCC1 ZINC000421033302 192308951 /nfs/dbraw/zinc/30/89/51/192308951.db2.gz XNICENHWWFUMPG-ZIAGYGMSSA-N 2 0 240.391 1.708 20 0 BDADRP CS[C@H](C)C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422937199 192511936 /nfs/dbraw/zinc/51/19/36/192511936.db2.gz NVXICCATPZQWCA-MXWKQRLJSA-N 2 0 216.394 1.716 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCc1ccccc1O ZINC000422976878 192514700 /nfs/dbraw/zinc/51/47/00/192514700.db2.gz VTBVDZKFBHYOLJ-WDEREUQCSA-N 2 0 222.332 1.650 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000422923075 192507349 /nfs/dbraw/zinc/50/73/49/192507349.db2.gz VCNQMDIZQKPBJR-WDEREUQCSA-N 2 0 241.379 1.103 20 0 BDADRP [NH3+]CC1CCC([NH2+]CC2(CCO)CCC2)CC1 ZINC000422986376 192518560 /nfs/dbraw/zinc/51/85/60/192518560.db2.gz CHUGKMBYHZSIJR-UHFFFAOYSA-N 2 0 240.391 1.646 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000423013479 192538707 /nfs/dbraw/zinc/53/87/07/192538707.db2.gz MWTRHVRVVHTYCE-DTWKUNHWSA-N 2 0 242.285 1.407 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@@H]2CCO[C@H]2C2CC2)CC1 ZINC000423014026 192540234 /nfs/dbraw/zinc/54/02/34/192540234.db2.gz NVSFWVSFJITLIU-HOFDXXJLSA-N 2 0 238.375 1.661 20 0 BDADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000423019277 192541756 /nfs/dbraw/zinc/54/17/56/192541756.db2.gz UYXVSEJGKQRFJD-UMSGYPCISA-N 2 0 226.364 1.519 20 0 BDADRP C[C@H]([NH2+][C@@H](CO)CC1CCCC1)[C@H]1CC[NH2+]C1 ZINC000423023697 192543598 /nfs/dbraw/zinc/54/35/98/192543598.db2.gz KELJSRRPHJMFFE-FPMFFAJLSA-N 2 0 240.391 1.515 20 0 BDADRP CC(C)(C)[C@H](CCO)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423037877 192548539 /nfs/dbraw/zinc/54/85/39/192548539.db2.gz NJFPDISBHDVSND-BPCQOVAHSA-N 2 0 242.407 1.891 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000423086401 192562384 /nfs/dbraw/zinc/56/23/84/192562384.db2.gz LYFGPYVUCODJTD-GFCCVEGCSA-N 2 0 240.391 1.646 20 0 BDADRP COC[C@H]([NH2+][C@H](C)CCCC[NH3+])[C@@H]1CCCO1 ZINC000423090263 192564834 /nfs/dbraw/zinc/56/48/34/192564834.db2.gz XBINKVQUNMVRKE-AGIUHOORSA-N 2 0 244.379 1.288 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000423063505 192555901 /nfs/dbraw/zinc/55/59/01/192555901.db2.gz OUXMMBSYUSVAAY-JHJVBQTASA-N 2 0 228.380 1.645 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCOC[C@@H]1C ZINC000423111881 192571965 /nfs/dbraw/zinc/57/19/65/192571965.db2.gz RCILQPKMXCFACO-YNEHKIRRSA-N 2 0 228.380 1.766 20 0 BDADRP Cn1ccnc1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639754548 356656402 /nfs/dbraw/zinc/65/64/02/356656402.db2.gz CBCMBLOOZJCCAT-UHFFFAOYSA-N 2 0 248.374 1.338 20 0 BDADRP Clc1cccc(CN2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000088287548 356657152 /nfs/dbraw/zinc/65/71/52/356657152.db2.gz BWXWOTWPTUWXIY-TXEJJXNPSA-N 2 0 236.746 1.991 20 0 BDADRP CO[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423117147 192573384 /nfs/dbraw/zinc/57/33/84/192573384.db2.gz UARBJPZRCIHBDT-BJDJZHNGSA-N 2 0 214.353 1.659 20 0 BDADRP COCC[C@H](C)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639758922 356669747 /nfs/dbraw/zinc/66/97/47/356669747.db2.gz XXNRXHAWQRVKHL-ZDUSSCGKSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@H](CO)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639758869 356669905 /nfs/dbraw/zinc/66/99/05/356669905.db2.gz XVKREQXVDNXXJX-LBPRGKRZSA-N 2 0 226.364 1.033 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCC[C@@H](CO)C1)[C@@H]1CC[NH2+]C1 ZINC000423121099 192574850 /nfs/dbraw/zinc/57/48/50/192574850.db2.gz IDTMDIMYKFQDOT-XJFOESAGSA-N 2 0 240.391 1.373 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCCSC1)[C@H]1CCC[NH2+]1 ZINC000423121759 192575804 /nfs/dbraw/zinc/57/58/04/192575804.db2.gz IVLLSZTVJVCXQI-GRYCIOLGSA-N 2 0 228.405 1.860 20 0 BDADRP COCC(C)(C)CCC[NH2+][C@H](C)C1C[NH2+]C1 ZINC000423124501 192576253 /nfs/dbraw/zinc/57/62/53/192576253.db2.gz MOUDVSGDGIXJJU-LLVKDONJSA-N 2 0 228.380 1.637 20 0 BDADRP CCOCCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623335651 356722093 /nfs/dbraw/zinc/72/20/93/356722093.db2.gz WYAHGMJBAQCEHT-LBPRGKRZSA-N 2 0 228.380 1.875 20 0 BDADRP CCC[C@H](O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000450434631 202167456 /nfs/dbraw/zinc/16/74/56/202167456.db2.gz DLPWFLNNLZGHNC-KBPBESRZSA-N 2 0 242.407 1.954 20 0 BDADRP CC[N@@H+]1CC[C@H](CN[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000130264030 325032111 /nfs/dbraw/zinc/03/21/11/325032111.db2.gz KPBMKOMEARGXFF-MGPQQGTHSA-N 2 0 239.407 1.401 20 0 BDADRP COC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623335384 356716970 /nfs/dbraw/zinc/71/69/70/356716970.db2.gz KXDIYPHACVHTLS-GHMZBOCLSA-N 2 0 214.353 1.484 20 0 BDADRP CC[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000383698762 538664519 /nfs/dbraw/zinc/66/45/19/538664519.db2.gz VGLADBNNUUTJCX-KGLIPLIRSA-N 2 0 242.407 1.952 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CCC[C@H]1O ZINC000423168578 192603442 /nfs/dbraw/zinc/60/34/42/192603442.db2.gz UOAVSFNPZLISRJ-SDDRHHMPSA-N 2 0 214.353 1.255 20 0 BDADRP C[C@H](NCC1([NH3+])CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000423187884 192616277 /nfs/dbraw/zinc/61/62/77/192616277.db2.gz YJMSIRZXVIZQRT-RYUDHWBXSA-N 2 0 225.380 1.378 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000353466582 538743332 /nfs/dbraw/zinc/74/33/32/538743332.db2.gz ZRIKLKNRQSFIAV-KGLIPLIRSA-N 2 0 242.407 1.979 20 0 BDADRP C[N@@H+]1CCC[C@H](N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000156056386 538761198 /nfs/dbraw/zinc/76/11/98/538761198.db2.gz KOMYMQCDAUTKKJ-HZSPNIEDSA-N 2 0 237.391 1.297 20 0 BDADRP C[NH2+]CCCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423197800 192622801 /nfs/dbraw/zinc/62/28/01/192622801.db2.gz BFYRDFRMMKOLFY-OLZOCXBDSA-N 2 0 219.332 1.330 20 0 BDADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCO[C@H]2C)CC1 ZINC000120057941 357031185 /nfs/dbraw/zinc/03/11/85/357031185.db2.gz CLPVBBSZNJIBLU-GXTWGEPZSA-N 2 0 240.391 1.874 20 0 BDADRP CC[NH+]1CCC([NH2+]CCCn2ccnc2)CC1 ZINC000020305975 357005192 /nfs/dbraw/zinc/00/51/92/357005192.db2.gz IGSXUBAZMOQKFY-UHFFFAOYSA-N 2 0 236.363 1.347 20 0 BDADRP COCC1(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000656200525 538784133 /nfs/dbraw/zinc/78/41/33/538784133.db2.gz OJRSSFDGSIYNEJ-WDEREUQCSA-N 2 0 212.337 1.143 20 0 BDADRP CC(C)C[C@@H](C[NH3+])N[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423258616 192655821 /nfs/dbraw/zinc/65/58/21/192655821.db2.gz CCOILPDVXYPRCN-WOPDTQHZSA-N 2 0 213.369 1.090 20 0 BDADRP COC[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000423248385 192650447 /nfs/dbraw/zinc/65/04/47/192650447.db2.gz NGBBUYXXYRWDPZ-JSGCOSHPSA-N 2 0 240.391 1.781 20 0 BDADRP Cc1noc(C)c1CNCCC[NH+]1CCC1 ZINC000390775491 357116063 /nfs/dbraw/zinc/11/60/63/357116063.db2.gz FBIMKNGJLCBCRC-UHFFFAOYSA-N 2 0 223.320 1.477 20 0 BDADRP CC(F)(F)CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000393596600 357288205 /nfs/dbraw/zinc/28/82/05/357288205.db2.gz AVRSPGXMJQZZDC-RKDXNWHRSA-N 2 0 206.280 1.891 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCC1(CO)CC1 ZINC000582719682 357370541 /nfs/dbraw/zinc/37/05/41/357370541.db2.gz BXMZKBAOAWZOJX-VXGBXAGGSA-N 2 0 226.364 1.399 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000582540558 357338786 /nfs/dbraw/zinc/33/87/86/357338786.db2.gz ZBALEWDJJIYHJR-RDBSUJKOSA-N 2 0 239.407 1.306 20 0 BDADRP C[C@@H](O)[C@@H](C)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000582541361 357340667 /nfs/dbraw/zinc/34/06/67/357340667.db2.gz AAUVFJIHPRUIQA-VXGBXAGGSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@H]([NH3+])c1ccc(C(=O)N(C)[C@H]2CC[NH2+]C2)cc1 ZINC000582899624 357425197 /nfs/dbraw/zinc/42/51/97/357425197.db2.gz PMJAWJZTABSVMT-GWCFXTLKSA-N 2 0 247.342 1.140 20 0 BDADRP Cc1cccc(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)n1 ZINC000359016915 538848633 /nfs/dbraw/zinc/84/86/33/538848633.db2.gz UHQASYCJYSIFPN-SWLSCSKDSA-N 2 0 247.386 1.862 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000230500743 357551841 /nfs/dbraw/zinc/55/18/41/357551841.db2.gz SJMXUIZQXVHHDM-FRRDWIJNSA-N 2 0 228.380 1.501 20 0 BDADRP CCN1CCC[C@@H]1C[NH2+]C1CCC(O)CC1 ZINC000233476121 357724853 /nfs/dbraw/zinc/72/48/53/357724853.db2.gz ZWKCNRNNXZRMLF-OTTFEQOBSA-N 2 0 226.364 1.364 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@@](C)(O)C2CC2)CC1(C)C ZINC000623415537 357764350 /nfs/dbraw/zinc/76/43/50/357764350.db2.gz OJUQDARWLQYNLL-TZMCWYRMSA-N 2 0 240.391 1.610 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CCCC[C@H]1CCO ZINC000191479557 357773752 /nfs/dbraw/zinc/77/37/52/357773752.db2.gz KDRCWYYLZLTDBW-AWEZNQCLSA-N 2 0 242.407 1.955 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CCc1ccsc1 ZINC000234786803 357828756 /nfs/dbraw/zinc/82/87/56/357828756.db2.gz WPNCGWDLSNQLSA-LBPRGKRZSA-N 2 0 242.388 1.634 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)C1CCCC1 ZINC000234810151 357831890 /nfs/dbraw/zinc/83/18/90/357831890.db2.gz XSNBFFFRQAUTRQ-YPMHNXCESA-N 2 0 228.380 1.909 20 0 BDADRP COC[C@H]1CCC[N@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000234736071 357833811 /nfs/dbraw/zinc/83/38/11/357833811.db2.gz LSUVDGXHOYKLNN-STQMWFEESA-N 2 0 228.380 1.718 20 0 BDADRP Cc1c[nH+]ccc1NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000192558956 357844075 /nfs/dbraw/zinc/84/40/75/357844075.db2.gz NAPZICICHVHGIO-CYBMUJFWSA-N 2 0 248.374 1.438 20 0 BDADRP Cc1n[nH]cc1C[NH2+]C(C)(C)CCC[NH+](C)C ZINC000387312143 357915783 /nfs/dbraw/zinc/91/57/83/357915783.db2.gz LJBVDBOBPJTEEC-UHFFFAOYSA-N 2 0 238.379 1.928 20 0 BDADRP C[C@@]1(C(=O)Nc2ccc3c(c2)C[NH2+]C3)CCC[NH2+]1 ZINC000583742290 357932500 /nfs/dbraw/zinc/93/25/00/357932500.db2.gz DVFYQIBSRPCJEU-AWEZNQCLSA-N 2 0 245.326 1.370 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@]2(C)CCOC2)CC1(C)C ZINC000623417752 357957909 /nfs/dbraw/zinc/95/79/09/357957909.db2.gz NLBPRCIGEXQOTI-GXTWGEPZSA-N 2 0 240.391 1.875 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@]2(C)CCOC2)CC1(C)C ZINC000623417754 357958340 /nfs/dbraw/zinc/95/83/40/357958340.db2.gz NLBPRCIGEXQOTI-OCCSQVGLSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[N@H+](C)C1CCOCC1 ZINC000036321664 358019986 /nfs/dbraw/zinc/01/99/86/358019986.db2.gz DCUOZTVDHNTVFU-LLVKDONJSA-N 2 0 214.353 1.471 20 0 BDADRP C[N@H+](CCC1CC[NH2+]CC1)C1CCOCC1 ZINC000036321360 358020232 /nfs/dbraw/zinc/02/02/32/358020232.db2.gz UUYFJBPOULWRCZ-UHFFFAOYSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H]1C[C@H](NCc2cncnc2)CC[N@@H+]1C ZINC000090721350 363596254 /nfs/dbraw/zinc/59/62/54/363596254.db2.gz RACUEQXDSTXVQA-ZYHUDNBSSA-N 2 0 220.320 1.049 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)CCc1ccco1 ZINC000584584749 358097345 /nfs/dbraw/zinc/09/73/45/358097345.db2.gz NZWSMUPFYZNLBE-QWRGUYRKSA-N 2 0 210.321 1.928 20 0 BDADRP CCn1nccc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000584719970 358161376 /nfs/dbraw/zinc/16/13/76/358161376.db2.gz OHZDRPXKROVRND-VHSXEESVSA-N 2 0 210.325 1.118 20 0 BDADRP CC[N@@H+]1CC[C@H](CN[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000222964138 358216553 /nfs/dbraw/zinc/21/65/53/358216553.db2.gz YVYHYWCLCNZAMP-JHJVBQTASA-N 2 0 225.380 1.188 20 0 BDADRP CC[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH+](C)C ZINC000040855292 358247368 /nfs/dbraw/zinc/24/73/68/358247368.db2.gz CWSMDGJUUUOHGX-CYBMUJFWSA-N 2 0 249.358 1.102 20 0 BDADRP NC(=O)c1ccc(C[NH2+]C2CCC([NH3+])CC2)cc1 ZINC000051694417 181296599 /nfs/dbraw/zinc/29/65/99/181296599.db2.gz XSJFZYVBVOYRAK-UHFFFAOYSA-N 2 0 247.342 1.145 20 0 BDADRP C[C@@H](CO)[C@@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000450738125 202251879 /nfs/dbraw/zinc/25/18/79/202251879.db2.gz LYBLVGGSFFORLA-QWHCGFSZSA-N 2 0 228.380 1.469 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCCCCO)C1 ZINC000229106707 358345277 /nfs/dbraw/zinc/34/52/77/358345277.db2.gz ROCOLGQTIBMMFJ-WDEREUQCSA-N 2 0 200.326 1.009 20 0 BDADRP CC(C)[N@@H+](C)CC1CC[NH+](CC[C@H](C)O)CC1 ZINC000578217416 366452929 /nfs/dbraw/zinc/45/29/29/366452929.db2.gz QCHZRFOQVGPDOC-ZDUSSCGKSA-N 2 0 242.407 1.810 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCCC[NH+](C)C)CN1C1CC1 ZINC000130025139 358605688 /nfs/dbraw/zinc/60/56/88/358605688.db2.gz WDVATWQGLRNHJK-STQMWFEESA-N 3 0 239.407 1.543 20 0 BDADRP COC[C@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000049332221 358683211 /nfs/dbraw/zinc/68/32/11/358683211.db2.gz QWIZVXLTFUFZGH-NSHDSACASA-N 2 0 200.326 1.097 20 0 BDADRP COC(C)(C)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000133671671 358762683 /nfs/dbraw/zinc/76/26/83/358762683.db2.gz MDUIJXTUAGIJLC-NWDGAFQWSA-N 2 0 226.364 1.628 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H](C)[C@H](C)OC)CC1 ZINC000132243569 358713690 /nfs/dbraw/zinc/71/36/90/358713690.db2.gz KIRKVSSGXONOHF-NEPJUHHUSA-N 2 0 228.380 1.874 20 0 BDADRP CCC[C@H](CC)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000050403931 358729233 /nfs/dbraw/zinc/72/92/33/358729233.db2.gz AGIJJEYFSKJXCT-QWHCGFSZSA-N 2 0 228.380 1.611 20 0 BDADRP CC[N@H+](C[C@@H]1CCCO1)C[C@@]1(C)CC[NH2+]C1 ZINC000219860297 134292405 /nfs/dbraw/zinc/29/24/05/134292405.db2.gz PJWPFKQNUXFPQN-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCn2cccn2)[C@H](C)C1 ZINC000134076852 358779015 /nfs/dbraw/zinc/77/90/15/358779015.db2.gz CNRNDYLSULFQQC-CHWSQXEVSA-N 2 0 236.363 1.203 20 0 BDADRP CCC[C@H](O)C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000134360440 358787491 /nfs/dbraw/zinc/78/74/91/358787491.db2.gz JAVBHRHMNUEONP-BPNCWPANSA-N 2 0 234.343 1.882 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](CCOCCC(C)C)C1 ZINC000053034244 358805990 /nfs/dbraw/zinc/80/59/90/358805990.db2.gz OGFSEWOHIHJPEH-CYBMUJFWSA-N 2 0 228.380 1.590 20 0 BDADRP [NH3+]C[C@@H]1CCCN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000578329425 366519800 /nfs/dbraw/zinc/51/98/00/366519800.db2.gz CGPDPEDKQJOMON-HNNXBMFYSA-N 2 0 245.370 1.255 20 0 BDADRP COCC[C@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000086404500 358968648 /nfs/dbraw/zinc/96/86/48/358968648.db2.gz FMQYTJARATZKAY-DCAQKATOSA-N 2 0 200.326 1.271 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC[C@@H]2O)CC1(C)C ZINC000623433104 358946544 /nfs/dbraw/zinc/94/65/44/358946544.db2.gz ZYCCRYWONJHBPA-AGIUHOORSA-N 2 0 240.391 1.610 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCSC2)C1 ZINC000299969713 358958401 /nfs/dbraw/zinc/95/84/01/358958401.db2.gz RNEYXZANGSFHNR-BBBLOLIVSA-N 2 0 200.351 1.351 20 0 BDADRP COCCC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000177944801 134302261 /nfs/dbraw/zinc/30/22/61/134302261.db2.gz IVFKVAKCPRADMW-CHWSQXEVSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)CCO1 ZINC000069857078 359034344 /nfs/dbraw/zinc/03/43/44/359034344.db2.gz HVZPHMNXUALGHQ-NWDGAFQWSA-N 2 0 228.380 1.731 20 0 BDADRP COCCC[C@@H](C)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423326981 192707855 /nfs/dbraw/zinc/70/78/55/192707855.db2.gz KWOAFVMFGQFGOM-GFCCVEGCSA-N 2 0 228.380 1.781 20 0 BDADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCC1([NH3+])CCC1 ZINC000423331446 192711190 /nfs/dbraw/zinc/71/11/90/192711190.db2.gz OKIORZILUMQIMR-OCCSQVGLSA-N 2 0 247.386 1.416 20 0 BDADRP C[NH2+][C@@H](C)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000423404333 192745094 /nfs/dbraw/zinc/74/50/94/192745094.db2.gz YBFDRJGHHBWMRQ-IRCOFANPSA-N 2 0 224.348 1.142 20 0 BDADRP CC[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1CC1(C)C ZINC000423434082 192768046 /nfs/dbraw/zinc/76/80/46/192768046.db2.gz PSMXKHRBJKDFEJ-LVEVGFFFSA-N 2 0 208.349 1.619 20 0 BDADRP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H](C)CCC[NH3+] ZINC000423449187 192773617 /nfs/dbraw/zinc/77/36/17/192773617.db2.gz FYXRYCKSBPYXEC-VXGBXAGGSA-N 2 0 243.395 1.350 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000423495155 192793967 /nfs/dbraw/zinc/79/39/67/192793967.db2.gz DYBPOCPGHREQQE-RFGFWPKPSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)CN(C)C ZINC000379521003 359535307 /nfs/dbraw/zinc/53/53/07/359535307.db2.gz CQPGBEVZVQBKCZ-QWRGUYRKSA-N 2 0 201.358 1.044 20 0 BDADRP C[C@@H]1C[C@@H](NCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000379652682 359574554 /nfs/dbraw/zinc/57/45/54/359574554.db2.gz XRHVHBKABIFHNC-HIFRSBDPSA-N 2 0 247.386 1.588 20 0 BDADRP [NH3+]CC1(O)CC[NH+](C[C@H]2CCC(F)(F)C2)CC1 ZINC000397067261 359643191 /nfs/dbraw/zinc/64/31/91/359643191.db2.gz VRMMYFKZPJPDGV-JTQLQIEISA-N 2 0 248.317 1.207 20 0 BDADRP CC[NH2+]CCC[NH2+][C@H]1C[C@@H](OC)C12CCC2 ZINC000578433830 366566666 /nfs/dbraw/zinc/56/66/66/366566666.db2.gz JJPAHQZOJHAWCE-NWDGAFQWSA-N 2 0 226.364 1.533 20 0 BDADRP [NH3+]CCCC[NH2+]Cc1cccc2c1NCC2 ZINC000087723855 359925434 /nfs/dbraw/zinc/92/54/34/359925434.db2.gz KHBMWXJFCKIYDK-UHFFFAOYSA-N 2 0 219.332 1.483 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1ccccn1 ZINC000089139536 359991601 /nfs/dbraw/zinc/99/16/01/359991601.db2.gz QCQYJKVQQQKFPC-GXTWGEPZSA-N 2 0 233.359 1.731 20 0 BDADRP C[N@H+](CCN[C@H]1CCC[C@@H]1C[NH3+])C1CCCC1 ZINC000089150672 359993687 /nfs/dbraw/zinc/99/36/87/359993687.db2.gz HUVUKTCLWYTOIN-OCCSQVGLSA-N 2 0 239.407 1.578 20 0 BDADRP COc1cc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])ccn1 ZINC000089146305 359993047 /nfs/dbraw/zinc/99/30/47/359993047.db2.gz WQNJWAPADNKPNZ-OLZOCXBDSA-N 2 0 249.358 1.697 20 0 BDADRP COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cn1 ZINC000089140517 359993068 /nfs/dbraw/zinc/99/30/68/359993068.db2.gz DBUPZUMLDANGEA-QWHCGFSZSA-N 2 0 249.358 1.697 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC1(O)CCCCC1 ZINC000089146685 359993204 /nfs/dbraw/zinc/99/32/04/359993204.db2.gz YYEFIKSUSJVZRJ-QWHCGFSZSA-N 2 0 240.391 1.789 20 0 BDADRP CC[N@H+](CC[C@@H]1CCCC[NH+]1C)CC(C)(C)O ZINC000092982004 360208718 /nfs/dbraw/zinc/20/87/18/360208718.db2.gz NGTMBXNIVWDHLU-ZDUSSCGKSA-N 2 0 242.407 1.954 20 0 BDADRP CC[C@H](C)C[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000093067114 360213306 /nfs/dbraw/zinc/21/33/06/360213306.db2.gz MWXQDJRLHSZUJL-KBPBESRZSA-N 2 0 241.423 1.506 20 0 BDADRP CCOCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000093451107 360244074 /nfs/dbraw/zinc/24/40/74/360244074.db2.gz NOPXQGZKWNOZFH-MCIONIFRSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H](CCO)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000093461799 360245520 /nfs/dbraw/zinc/24/55/20/360245520.db2.gz KTGCNXWPRLQPKE-YIYPIFLZSA-N 2 0 240.391 1.515 20 0 BDADRP C[C@H]1CCC[C@H](C[N@H+](C)CCOCC[NH3+])C1 ZINC000381036287 360536739 /nfs/dbraw/zinc/53/67/39/360536739.db2.gz FHNTUEZNTUHSHG-STQMWFEESA-N 2 0 228.380 1.720 20 0 BDADRP NC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000093211102 181302993 /nfs/dbraw/zinc/30/29/93/181302993.db2.gz RBPQELAJXBXJSJ-QWHCGFSZSA-N 2 0 247.342 1.145 20 0 BDADRP CC(C)[C@H]([NH3+])CCN(C)CC[NH2+]C(C)(C)C ZINC000414665419 200757445 /nfs/dbraw/zinc/75/74/45/200757445.db2.gz VLMXAOBJVMSDTH-GFCCVEGCSA-N 2 0 229.412 1.680 20 0 BDADRP CCCn1nc(C)c(C[NH2+]CCCC[NH3+])c1C ZINC000414901694 200779717 /nfs/dbraw/zinc/77/97/17/200779717.db2.gz JDOVJVOTKZPXER-UHFFFAOYSA-N 2 0 238.379 1.738 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CCCO1 ZINC000415089259 200793918 /nfs/dbraw/zinc/79/39/18/200793918.db2.gz YQUPMYRFPLQHGC-YIYPIFLZSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H]1Cc2ccccc2[C@H]1[NH2+]CCC[NH3+] ZINC000415089122 200794095 /nfs/dbraw/zinc/79/40/95/200794095.db2.gz MTEUZNRLPABENH-GWCFXTLKSA-N 2 0 204.317 1.858 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000629388728 361035199 /nfs/dbraw/zinc/03/51/99/361035199.db2.gz PFRRPFYLMRLMFJ-YXCITZCRSA-N 2 0 237.391 1.199 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000629391977 361041259 /nfs/dbraw/zinc/04/12/59/361041259.db2.gz GVYYXXGXGYLJSQ-NEPJUHHUSA-N 2 0 214.353 1.391 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000629393229 361042123 /nfs/dbraw/zinc/04/21/23/361042123.db2.gz ZMLKUXFMAHINND-GHMZBOCLSA-N 2 0 200.326 1.001 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CC[C@H](C)C1 ZINC000629393232 361042531 /nfs/dbraw/zinc/04/25/31/361042531.db2.gz ZMLKUXFMAHINND-WDEREUQCSA-N 2 0 200.326 1.001 20 0 BDADRP C[C@H]1CCCC[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629397817 361047901 /nfs/dbraw/zinc/04/79/01/361047901.db2.gz DAIJPAATWKAYAS-NWDGAFQWSA-N 2 0 214.353 1.520 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H]1CCCC1(C)C ZINC000629404427 361049925 /nfs/dbraw/zinc/04/99/25/361049925.db2.gz MLANTWXJIRZXNY-NSHDSACASA-N 2 0 214.353 1.391 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000629404041 361050057 /nfs/dbraw/zinc/05/00/57/361050057.db2.gz HTSXGOZWILOAPO-KGLIPLIRSA-N 2 0 240.391 1.781 20 0 BDADRP CC[C@H]1CCC[C@@H]([NH2+]CCOCC[NH2+]C)C1 ZINC000629404464 361050341 /nfs/dbraw/zinc/05/03/41/361050341.db2.gz NUIREOJJBIMSLK-QWHCGFSZSA-N 2 0 228.380 1.781 20 0 BDADRP C[C@@H]1CCCC[C@H]1C[NH2+]CCOCCC[NH3+] ZINC000629400542 361052088 /nfs/dbraw/zinc/05/20/88/361052088.db2.gz CZEKWLKMWYVSMP-OLZOCXBDSA-N 2 0 228.380 1.768 20 0 BDADRP C[C@H]([NH2+]CC(C)(C)CCO)C1CC[NH+](C)CC1 ZINC000224396817 491154322 /nfs/dbraw/zinc/15/43/22/491154322.db2.gz KIZCITHXDFEBSH-LBPRGKRZSA-N 2 0 242.407 1.715 20 0 BDADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629410582 361060623 /nfs/dbraw/zinc/06/06/23/361060623.db2.gz HBWHGHPAIILXEY-OPDFLTKYSA-N 2 0 237.391 1.199 20 0 BDADRP CC(C)[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C)NC2)CCO1 ZINC000629418386 361063097 /nfs/dbraw/zinc/06/30/97/361063097.db2.gz XNZFGHAYUURGIG-YIYPIFLZSA-N 2 0 240.391 1.920 20 0 BDADRP [NH3+]C1(C[NH2+][C@@H]2CC[C@H]2C2CCC2)CCOCC1 ZINC000629521234 361117777 /nfs/dbraw/zinc/11/77/77/361117777.db2.gz OGSWEJJJOYIOFI-QWHCGFSZSA-N 2 0 238.375 1.663 20 0 BDADRP CC[C@H]([NH2+]CC1([NH3+])CCOCC1)C1CCC1 ZINC000629521005 361118176 /nfs/dbraw/zinc/11/81/76/361118176.db2.gz NRQZDEWTDLBATQ-LBPRGKRZSA-N 2 0 226.364 1.663 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CC[C@H]1CCCOC1 ZINC000629509690 361103249 /nfs/dbraw/zinc/10/32/49/361103249.db2.gz HWIQAIWKBWKLAY-CHWSQXEVSA-N 2 0 244.379 1.147 20 0 BDADRP C1=CCC(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000629515345 361112984 /nfs/dbraw/zinc/11/29/84/361112984.db2.gz OTWQCZDOLXPVKD-MGPQQGTHSA-N 2 0 220.360 1.930 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000629527578 361131119 /nfs/dbraw/zinc/13/11/19/361131119.db2.gz ZEFNIHDHCLILKF-ZDEQEGDKSA-N 2 0 226.364 1.532 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000629527906 361135280 /nfs/dbraw/zinc/13/52/80/361135280.db2.gz JAFFFARJWVAKQV-WUHRBBMRSA-N 2 0 225.380 1.377 20 0 BDADRP CC[C@@H]([NH2+]CCOCC[NH2+]C)C1CC1 ZINC000629528563 361136949 /nfs/dbraw/zinc/13/69/49/361136949.db2.gz CIHXSUBNYCFAPS-LLVKDONJSA-N 2 0 200.326 1.001 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1cccs1 ZINC000629529190 361138014 /nfs/dbraw/zinc/13/80/14/361138014.db2.gz UWBQBNGTJCEWDM-JTQLQIEISA-N 2 0 228.361 1.635 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H]1CCCc2ccccc21 ZINC000629529016 361138345 /nfs/dbraw/zinc/13/83/45/361138345.db2.gz PGMIHRNNNXCQLT-HNNXBMFYSA-N 2 0 248.370 1.890 20 0 BDADRP CC[C@@H](C)[C@@H](C)[NH2+]CCOCC[NH2+]C ZINC000629529284 361138520 /nfs/dbraw/zinc/13/85/20/361138520.db2.gz XTCZQOPBWSJRBQ-GHMZBOCLSA-N 2 0 202.342 1.247 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC000629529276 361138845 /nfs/dbraw/zinc/13/88/45/361138845.db2.gz XMOQHZHCHVVCET-LLVKDONJSA-N 2 0 240.322 1.712 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H](C)C1C(C)(C)C1(C)C ZINC000629529565 361143689 /nfs/dbraw/zinc/14/36/89/361143689.db2.gz HFDNGCDCWPRWII-NSHDSACASA-N 2 0 242.407 1.883 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C ZINC000629530501 361144339 /nfs/dbraw/zinc/14/43/39/361144339.db2.gz IJIMMHGCSXWKRH-FRRDWIJNSA-N 2 0 228.380 1.637 20 0 BDADRP CC[C@@H]([NH2+]CCOCC[NH2+]C)c1ccncc1 ZINC000629530315 361144458 /nfs/dbraw/zinc/14/44/58/361144458.db2.gz CJBZQPWGBQNSES-CYBMUJFWSA-N 2 0 237.347 1.358 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000629530721 361145681 /nfs/dbraw/zinc/14/56/81/361145681.db2.gz PBELITOBPHWGGJ-NEPJUHHUSA-N 2 0 228.380 1.637 20 0 BDADRP CCO[C@H](C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)C1CC1 ZINC000629532307 361151258 /nfs/dbraw/zinc/15/12/58/361151258.db2.gz UVKKJMIJNWKQRS-HZSPNIEDSA-N 2 0 238.375 1.485 20 0 BDADRP CC[C@H]([NH2+]CC1([NH3+])CCOCC1)[C@H]1C[C@H]1C ZINC000629522293 361123641 /nfs/dbraw/zinc/12/36/41/361123641.db2.gz ZGLALCHDFXXKLR-WOPDTQHZSA-N 2 0 226.364 1.519 20 0 BDADRP [NH3+]C1(C[NH2+][C@H]2CCc3ccccc32)CCOCC1 ZINC000629524691 361125702 /nfs/dbraw/zinc/12/57/02/361125702.db2.gz TZBDUWIAQIAVAB-AWEZNQCLSA-N 2 0 246.354 1.771 20 0 BDADRP [NH3+]C1(C[NH2+][C@H]2CCC23CCCC3)CCOCC1 ZINC000629525584 361126165 /nfs/dbraw/zinc/12/61/65/361126165.db2.gz XBVOOCNRNVEHGO-LBPRGKRZSA-N 2 0 238.375 1.807 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000629525877 361126986 /nfs/dbraw/zinc/12/69/86/361126986.db2.gz FECOYQIYVAHWOS-FVCCEPFGSA-N 2 0 225.380 1.199 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](CCOCC(C)C)C1 ZINC000158916805 361214065 /nfs/dbraw/zinc/21/40/65/361214065.db2.gz LZYINYSQXHKLHP-LBPRGKRZSA-N 2 0 214.353 1.200 20 0 BDADRP C[C@@H](O)CC[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640534055 361303342 /nfs/dbraw/zinc/30/33/42/361303342.db2.gz JZXWTNJKSYDFMX-CQSZACIVSA-N 2 0 242.407 1.955 20 0 BDADRP C[C@@H](CCCCO)[NH2+]CC1CC[NH+](C)CC1 ZINC000309781234 491156429 /nfs/dbraw/zinc/15/64/29/491156429.db2.gz RGEXFNXUIYBEBW-LBPRGKRZSA-N 2 0 228.380 1.469 20 0 BDADRP CO[C@H]1CCC[C@H]([NH2+]CC[C@H](C)[NH3+])C1 ZINC000622044520 370676873 /nfs/dbraw/zinc/67/68/73/370676873.db2.gz JAWHPTUBKKXMET-DCAQKATOSA-N 2 0 200.326 1.271 20 0 BDADRP CC[N@@H+]1CC[C@H](NCC[C@H](C)[NH3+])[C@H](C)C1 ZINC000622045686 370680169 /nfs/dbraw/zinc/68/01/69/370680169.db2.gz OFNKNZHENGEGKZ-WOPDTQHZSA-N 2 0 213.369 1.044 20 0 BDADRP CCC[N@H+](C)CC(=O)Nc1ccccc1C[NH2+]C ZINC000428556767 201027860 /nfs/dbraw/zinc/02/78/60/201027860.db2.gz GNJSOTQQGTXHCA-UHFFFAOYSA-N 2 0 249.358 1.686 20 0 BDADRP Cc1nn(C(C)C)cc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000579354235 366768136 /nfs/dbraw/zinc/76/81/36/366768136.db2.gz UWKOMIKFYPHFHC-QWRGUYRKSA-N 2 0 238.379 1.988 20 0 BDADRP CCC[C@H](C)[C@@H](CO)[NH2+]C1CCN(CC)CC1 ZINC000579363968 366771858 /nfs/dbraw/zinc/77/18/58/366771858.db2.gz NNTHQUISDPFTPX-GXTWGEPZSA-N 2 0 242.407 1.857 20 0 BDADRP C[NH+](C)[C@H]1CCC[N@H+](CC[C@@H]2CCCO2)CC1 ZINC000429528673 201113024 /nfs/dbraw/zinc/11/30/24/201113024.db2.gz NFCIRHWZMNOEOZ-KBPBESRZSA-N 2 0 240.391 1.972 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000629538573 361403583 /nfs/dbraw/zinc/40/35/83/361403583.db2.gz OJXRXYVJCPEAJI-MOLYVOAJSA-N 2 0 228.380 1.905 20 0 BDADRP CCO[C@@H]1C[C@@H](N[C@@H]2CC[NH2+][C@H]2C)C1(C)C ZINC000629543533 361411386 /nfs/dbraw/zinc/41/13/86/361411386.db2.gz BHJDSNKUZWQSHZ-IRCOFANPSA-N 2 0 226.364 1.530 20 0 BDADRP COCC1CCC([NH2+][C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000629543939 361412924 /nfs/dbraw/zinc/41/29/24/361412924.db2.gz DTZUXRPHAPFGCX-YWPUVAFDSA-N 2 0 226.364 1.532 20 0 BDADRP CC1(C)CC[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629534941 361408527 /nfs/dbraw/zinc/40/85/27/361408527.db2.gz BBCYDIYTCZKYDI-JTQLQIEISA-N 2 0 200.326 1.130 20 0 BDADRP C[C@@H]([NH2+]CCOCCC[NH3+])C(C)(C)C ZINC000629535689 361409997 /nfs/dbraw/zinc/40/99/97/361409997.db2.gz FAJNCTZWSGAVCW-SNVBAGLBSA-N 2 0 202.342 1.376 20 0 BDADRP C[C@@H]1C[C@H]1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000430111931 201145190 /nfs/dbraw/zinc/14/51/90/201145190.db2.gz APMCJQUPOYXZTR-AGIUHOORSA-N 2 0 208.349 1.670 20 0 BDADRP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H]1CC[NH2+][C@H]1C ZINC000629547850 361431962 /nfs/dbraw/zinc/43/19/62/361431962.db2.gz VQDSPWWKXHTUGR-COPLHBTASA-N 2 0 248.374 1.250 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000629549552 361441200 /nfs/dbraw/zinc/44/12/00/361441200.db2.gz RYALJJLFKUZFAF-HOFDXXJLSA-N 2 0 238.375 1.661 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000629554350 361441460 /nfs/dbraw/zinc/44/14/60/361441460.db2.gz HYHXPJGKRGDGJE-FVCCEPFGSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000629549972 361442436 /nfs/dbraw/zinc/44/24/36/361442436.db2.gz UMQQSSRYKSDPSC-RAIGVLPGSA-N 2 0 226.364 1.661 20 0 BDADRP CN(CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1)CC(F)F ZINC000629555360 361447275 /nfs/dbraw/zinc/44/72/75/361447275.db2.gz VIXRZCPURKZACI-VHSXEESVSA-N 2 0 235.322 1.043 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)Cc1ccc(C)cc1 ZINC000629568414 361460705 /nfs/dbraw/zinc/46/07/05/361460705.db2.gz VGVHOFOTRNJPEC-UHFFFAOYSA-N 2 0 236.359 1.663 20 0 BDADRP C[C@H]1CC(F)(F)CC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000629576773 361467288 /nfs/dbraw/zinc/46/72/88/361467288.db2.gz SXIMZBLDWRAODI-UWVGGRQHSA-N 2 0 218.291 1.716 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](CCOc2cccc(F)c2)C1 ZINC000430944702 201159340 /nfs/dbraw/zinc/15/93/40/201159340.db2.gz UPBUDZFSQSLXDT-LLVKDONJSA-N 2 0 238.306 1.485 20 0 BDADRP CC(C)OCCC[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584611 361473525 /nfs/dbraw/zinc/47/35/25/361473525.db2.gz CCECFRIXGWPAAC-OKILXGFUSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1cccc(N)c1)C2 ZINC000629592366 361484668 /nfs/dbraw/zinc/48/46/68/361484668.db2.gz AXTNZJGNRMELOT-GASCZTMLSA-N 2 0 245.370 1.700 20 0 BDADRP C[C@@H]1C[C@@H]1C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629593213 361484801 /nfs/dbraw/zinc/48/48/01/361484801.db2.gz ITGCTSFYSLNRGJ-LPWJVIDDSA-N 2 0 208.349 1.574 20 0 BDADRP [NH3+]Cc1cccc2c1N(C[C@@H]1CC[NH2+]C1)CCC2 ZINC000629558306 361452961 /nfs/dbraw/zinc/45/29/61/361452961.db2.gz FOMVTMPRLVGJGY-GFCCVEGCSA-N 2 0 245.370 1.507 20 0 BDADRP C(C[N@@H+]1CCO[C@@H]2CCC[C@@H]21)[C@H]1CCC[NH2+]C1 ZINC000629567788 361457501 /nfs/dbraw/zinc/45/75/01/361457501.db2.gz LFKHSYNDUJJOKI-HZSPNIEDSA-N 2 0 238.375 1.629 20 0 BDADRP COC[C@H]([NH2+]CCN1CC[C@@H](C)C1)C1CC1 ZINC000309969978 491158700 /nfs/dbraw/zinc/15/87/00/491158700.db2.gz OYIAUVSVGLNHRR-YPMHNXCESA-N 2 0 226.364 1.343 20 0 BDADRP CC[C@@H](C(=O)Nc1ccc2c(c1)C[NH2+]C2)[NH+](C)C ZINC000629615444 361503255 /nfs/dbraw/zinc/50/32/55/361503255.db2.gz PDLOGGSGURGPSK-ZDUSSCGKSA-N 2 0 247.342 1.569 20 0 BDADRP CC[N@@H+]1CC[C@@H](NCCC[NH+](C)C)[C@H](C)C1 ZINC000151922074 201187580 /nfs/dbraw/zinc/18/75/80/201187580.db2.gz WHINNSFCBLSKAR-CHWSQXEVSA-N 2 0 227.396 1.258 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)Cc1scnc1C ZINC000629654908 361558057 /nfs/dbraw/zinc/55/80/57/361558057.db2.gz UIMKLDQYXAFHDX-UHFFFAOYSA-N 2 0 243.376 1.119 20 0 BDADRP Cn1ccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000629648748 361542439 /nfs/dbraw/zinc/54/24/39/361542439.db2.gz ULHBYYWRVAJDAJ-ZDUSSCGKSA-N 2 0 233.359 1.789 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000629660097 361564896 /nfs/dbraw/zinc/56/48/96/361564896.db2.gz NSTSVWMHRQKPMB-SDDRHHMPSA-N 2 0 213.369 1.090 20 0 BDADRP Cc1cnccc1C[NH2+]C1(C)CC[NH2+]CC1 ZINC000629649545 361544408 /nfs/dbraw/zinc/54/44/08/361544408.db2.gz VPHZTOXYANLVQU-UHFFFAOYSA-N 2 0 219.332 1.622 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccn(C)c2)CC[NH2+]1 ZINC000629649319 361544773 /nfs/dbraw/zinc/54/47/73/361544773.db2.gz PPCFLIIINHMAAN-PWSUYJOCSA-N 2 0 207.321 1.255 20 0 BDADRP COC1(C[NH2+]CCC2(C[NH3+])CC2)CCCC1 ZINC000629650419 361548381 /nfs/dbraw/zinc/54/83/81/361548381.db2.gz VBRPLRMFCQGVJQ-UHFFFAOYSA-N 2 0 226.364 1.664 20 0 BDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccn(C)c1 ZINC000629652181 361549638 /nfs/dbraw/zinc/54/96/38/361549638.db2.gz XKOFVEDURXWLAQ-CYBMUJFWSA-N 2 0 223.364 1.830 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1NCC1=CCCOC1 ZINC000629653253 361553368 /nfs/dbraw/zinc/55/33/68/361553368.db2.gz JPBXDNBUBAJXFN-NWDGAFQWSA-N 2 0 210.321 1.063 20 0 BDADRP Cn1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000629653840 361554255 /nfs/dbraw/zinc/55/42/55/361554255.db2.gz KTZDUZWSCAQWAZ-OLZOCXBDSA-N 2 0 221.348 1.632 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](CC2=CCCOC2)C1 ZINC000629653852 361554298 /nfs/dbraw/zinc/55/42/98/361554298.db2.gz LBTFXRSXCGYFMZ-LBPRGKRZSA-N 2 0 224.348 1.394 20 0 BDADRP C[N@@H+](C/C=C\c1ccccc1)CCOCC[NH3+] ZINC000629663030 361595568 /nfs/dbraw/zinc/59/55/68/361595568.db2.gz JEJDQADWFUEFJK-YVMONPNESA-N 2 0 234.343 1.607 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]C1(C(C)C)CC1 ZINC000448552543 201243957 /nfs/dbraw/zinc/24/39/57/201243957.db2.gz HFTUQCPFMWTSLW-LLVKDONJSA-N 2 0 214.353 1.519 20 0 BDADRP CC[N@H+](C[C@@H]1CCCOC1)[C@H]1CCC[NH2+]CC1 ZINC000435388714 201267768 /nfs/dbraw/zinc/26/77/68/201267768.db2.gz GWEIRQQMOCSVOY-KBPBESRZSA-N 2 0 240.391 1.877 20 0 BDADRP [NH3+]C1CCC([NH2+]CCOc2ccccc2)CC1 ZINC000094088419 181341722 /nfs/dbraw/zinc/34/17/22/181341722.db2.gz XOJOXPZMOILGRF-UHFFFAOYSA-N 2 0 234.343 1.925 20 0 BDADRP CCN(Cc1ncc(C)o1)[C@H]1CCC[NH2+]CC1 ZINC000435613459 201279251 /nfs/dbraw/zinc/27/92/51/201279251.db2.gz JZDGVZLIXYMEMK-LBPRGKRZSA-N 2 0 237.347 1.947 20 0 BDADRP [NH3+][C@@H]1C[C@H]1c1cccc(C2=CC[NH2+]CC2)c1 ZINC000629722636 361662489 /nfs/dbraw/zinc/66/24/89/361662489.db2.gz DOJMZAPUQLGZGS-UONOGXRCSA-N 2 0 214.312 1.878 20 0 BDADRP c1cc([C@H]2C[NH2+]CCO2)ccc1C1=CC[NH2+]CC1 ZINC000629722900 361663361 /nfs/dbraw/zinc/66/33/61/361663361.db2.gz GVHIOSZGZUFOTB-OAHLLOKOSA-N 2 0 244.338 1.724 20 0 BDADRP c1cc(C2=CC[NH2+]CC2)cc([C@H]2C[NH2+]CCO2)c1 ZINC000629722812 361663672 /nfs/dbraw/zinc/66/36/72/361663672.db2.gz FDBVHWJSHBAZRB-OAHLLOKOSA-N 2 0 244.338 1.724 20 0 BDADRP C[NH2+]CCC[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000435884477 201296162 /nfs/dbraw/zinc/29/61/62/201296162.db2.gz SUNAWMBFEHGZCO-CQSZACIVSA-N 2 0 233.359 1.782 20 0 BDADRP CCCO[C@@H]1CCC[N@H+](CCC[NH2+]C)CC1 ZINC000435883425 201296886 /nfs/dbraw/zinc/29/68/86/201296886.db2.gz KTVINGGARLPMFV-CYBMUJFWSA-N 2 0 228.380 1.877 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000435881999 201294655 /nfs/dbraw/zinc/29/46/55/201294655.db2.gz RJMGFOIXLBHMLX-ZDUSSCGKSA-N 2 0 236.363 1.265 20 0 BDADRP C[NH2+]CCC[N@H+](C)[C@@H]1C[C@](C)(OC)C1(C)C ZINC000435885753 201294933 /nfs/dbraw/zinc/29/49/33/201294933.db2.gz NTMPZBJGCCQLKC-YPMHNXCESA-N 2 0 228.380 1.731 20 0 BDADRP CCCO[C@H]1CCC[N@H+](CCC[NH2+]C)CC1 ZINC000435883426 201295155 /nfs/dbraw/zinc/29/51/55/201295155.db2.gz KTVINGGARLPMFV-ZDUSSCGKSA-N 2 0 228.380 1.877 20 0 BDADRP C[NH2+]CCCN1CCC([NH2+]C(C)C)CC1 ZINC000435883259 201295501 /nfs/dbraw/zinc/29/55/01/201295501.db2.gz JWJSDSWRTXNOMZ-UHFFFAOYSA-N 2 0 213.369 1.058 20 0 BDADRP [NH3+]C1CC[NH+](C[C@H]2CCSC2)CC1 ZINC000224608346 181344270 /nfs/dbraw/zinc/34/42/70/181344270.db2.gz PECSOIITNIVHCE-SECBINFHSA-N 2 0 200.351 1.163 20 0 BDADRP C[C@@H]1C[C@@H]([N@H+](C)CC[C@H]2CCOC2)CCN1C ZINC000438105835 201389661 /nfs/dbraw/zinc/38/96/61/201389661.db2.gz PEFHJSHXFNIHSO-RDBSUJKOSA-N 2 0 240.391 1.828 20 0 BDADRP [NH3+]CC1(c2ccccc2Cl)CC[NH2+]CC1 ZINC000071531990 181363069 /nfs/dbraw/zinc/36/30/69/181363069.db2.gz LDLBMIZFRPBZNG-UHFFFAOYSA-N 2 0 224.735 1.920 20 0 BDADRP [NH3+]CC1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000044511930 181364861 /nfs/dbraw/zinc/36/48/61/181364861.db2.gz ARSYIEPHCWGSGH-SNVBAGLBSA-N 2 0 200.351 1.163 20 0 BDADRP CCC[NH+]1CCC(N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000398996086 364667455 /nfs/dbraw/zinc/66/74/55/364667455.db2.gz PIQGKAZFZAXFHP-OCCSQVGLSA-N 2 0 239.407 1.591 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000573505317 364850840 /nfs/dbraw/zinc/85/08/40/364850840.db2.gz DYHJSEKTZJQUFY-WRWGMCAJSA-N 2 0 212.337 1.413 20 0 BDADRP O[C@@H]1CCCC[C@H]1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000328317588 364826098 /nfs/dbraw/zinc/82/60/98/364826098.db2.gz CVZLSHZRIXVGMF-MJBXVCDLSA-N 2 0 238.375 1.223 20 0 BDADRP C[C@H](Cc1ccoc1)[NH2+]CC1CC[NH2+]CC1 ZINC000573474186 364842531 /nfs/dbraw/zinc/84/25/31/364842531.db2.gz RLYIJUNNSLMFGU-LLVKDONJSA-N 2 0 222.332 1.800 20 0 BDADRP C[NH2+]C[C@@H](C)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000573476123 364842693 /nfs/dbraw/zinc/84/26/93/364842693.db2.gz NGORFWIFHHSFLW-MNOVXSKESA-N 2 0 249.358 1.178 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1C[C@H]1CCCC[C@H]1O ZINC000328533578 364868909 /nfs/dbraw/zinc/86/89/09/364868909.db2.gz ZCNUTKSFCHQFGP-FDYHWXHSSA-N 2 0 226.364 1.207 20 0 BDADRP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H](C)CC[NH3+])cc1 ZINC000573682677 364892167 /nfs/dbraw/zinc/89/21/67/364892167.db2.gz QLDXDEKKXOGSEZ-UWVGGRQHSA-N 2 0 235.331 1.173 20 0 BDADRP CC[NH2+]Cc1ccccc1NC(=O)[C@H](C)C[NH3+] ZINC000573834047 364926763 /nfs/dbraw/zinc/92/67/63/364926763.db2.gz QNVCUXNVAQONDM-SNVBAGLBSA-N 2 0 235.331 1.329 20 0 BDADRP C[NH+](C)Cc1cccc(C[NH2+]CC(C)(C)O)c1 ZINC000574032669 364971409 /nfs/dbraw/zinc/97/14/09/364971409.db2.gz NZGXPDHUFYPOQC-UHFFFAOYSA-N 2 0 236.359 1.609 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CC2(CO)CCCC2)C1 ZINC000168590188 364964830 /nfs/dbraw/zinc/96/48/30/364964830.db2.gz ZCCDMXXTSCRRKS-RYUDHWBXSA-N 2 0 226.364 1.399 20 0 BDADRP CCOC[C@H](C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000574084629 364984066 /nfs/dbraw/zinc/98/40/66/364984066.db2.gz PLBQRSQLMLIXLZ-NSHDSACASA-N 2 0 222.332 1.660 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H]2CNCC[C@@H]2C)CC1 ZINC000574188349 365006958 /nfs/dbraw/zinc/00/69/58/365006958.db2.gz BBJVXDOILGNKQP-GXTWGEPZSA-N 2 0 239.407 1.306 20 0 BDADRP CCN(C)C[C@@H](O)C[N@@H+]1CCCCC(C)(C)C1 ZINC000574529364 365083221 /nfs/dbraw/zinc/08/32/21/365083221.db2.gz CITFKJNXVQLZHU-CYBMUJFWSA-N 2 0 242.407 1.811 20 0 BDADRP O[C@@H]1CCCC[C@@H]1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000574643916 365110723 /nfs/dbraw/zinc/11/07/23/365110723.db2.gz CQXATUXQYCLENY-CHWSQXEVSA-N 2 0 238.375 1.365 20 0 BDADRP Cc1ccc(CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)nc1 ZINC000574822633 365153058 /nfs/dbraw/zinc/15/30/58/365153058.db2.gz MOKKYJXCCJBTQT-OCCSQVGLSA-N 2 0 233.359 1.792 20 0 BDADRP [NH3+][C@@H]1C[C@H](NCC[C@H]2CCC[NH2+]2)c2ccccc21 ZINC000575051822 365179392 /nfs/dbraw/zinc/17/93/92/365179392.db2.gz KYXRQTGYZNZNTN-DFBGVHRSSA-N 2 0 245.370 1.863 20 0 BDADRP CC(C)[C@](C)(C[NH3+])[NH2+]CCOC[C@H]1CCCO1 ZINC000575060264 365182812 /nfs/dbraw/zinc/18/28/12/365182812.db2.gz ARJWHJYZKZGABV-OLZOCXBDSA-N 2 0 244.379 1.145 20 0 BDADRP Cc1ccc(-c2n[nH]cc2C[N@H+](C)CCC[NH3+])o1 ZINC000575923091 365414920 /nfs/dbraw/zinc/41/49/20/365414920.db2.gz WBVUBEQZXKCMER-UHFFFAOYSA-N 2 0 248.330 1.759 20 0 BDADRP CN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000379902046 365462160 /nfs/dbraw/zinc/46/21/60/365462160.db2.gz IRVVVOVANUVBCL-UMSGYPCISA-N 2 0 208.349 1.859 20 0 BDADRP COC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCCO1 ZINC000576052482 365466529 /nfs/dbraw/zinc/46/65/29/365466529.db2.gz MDOXNXJTVIXZCC-FVCCEPFGSA-N 2 0 242.363 1.040 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000576002981 365445293 /nfs/dbraw/zinc/44/52/93/365445293.db2.gz IHTONSIYTFQQKK-CHWFTXMASA-N 2 0 200.326 1.269 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CCN(C(C)(C)C)C1=O ZINC000576041196 365459297 /nfs/dbraw/zinc/45/92/97/365459297.db2.gz TZXVAOGBQTUQIF-QWRGUYRKSA-N 2 0 241.379 1.103 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCOCC2CCC2)CC[N@@H+]1C ZINC000576203766 365520042 /nfs/dbraw/zinc/52/00/42/365520042.db2.gz QKTZEQDOXVQSFT-JSGCOSHPSA-N 2 0 240.391 1.875 20 0 BDADRP CCN1CCC[C@H]([NH2+][C@@H]2CCN(C)C[C@H]2C)C1 ZINC000360242549 366917474 /nfs/dbraw/zinc/91/74/74/366917474.db2.gz PIEQDAZPTBSEOY-HZSPNIEDSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@H]1[C@@H]([NH3+])CCN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000579846869 367046683 /nfs/dbraw/zinc/04/66/83/367046683.db2.gz KWFFDKOBPAPBRU-NHYWBVRUSA-N 2 0 245.370 1.254 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000580963531 367220934 /nfs/dbraw/zinc/22/09/34/367220934.db2.gz SHLDGJQHHFFLNE-WOPDTQHZSA-N 3 0 213.369 1.363 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cc(O)cc(F)c1 ZINC000581011676 367234529 /nfs/dbraw/zinc/23/45/29/367234529.db2.gz NUQRMEDKSQTDDI-DTWKUNHWSA-N 2 0 226.295 1.747 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+][C@H]1CCCOC1 ZINC000381354409 367386547 /nfs/dbraw/zinc/38/65/47/367386547.db2.gz CAXILOIFHYMSSX-MROQNXINSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@H]1CCCOC1 ZINC000381354410 367386808 /nfs/dbraw/zinc/38/68/08/367386808.db2.gz CAXILOIFHYMSSX-VOAKCMCISA-N 2 0 226.364 1.484 20 0 BDADRP C[N@H+](CCC[NH3+])Cc1ccc2c[nH]nc2c1 ZINC000382062905 367483261 /nfs/dbraw/zinc/48/32/61/367483261.db2.gz GVTDBASNXDICJI-UHFFFAOYSA-N 2 0 218.304 1.344 20 0 BDADRP COC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)C(C)C ZINC000381745153 367453290 /nfs/dbraw/zinc/45/32/90/367453290.db2.gz PWDVBEXTHIIRLC-CHWSQXEVSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@H]([NH2+]CCC[NH2+]C1CC1)C1CCOCC1 ZINC000382581147 367544912 /nfs/dbraw/zinc/54/49/12/367544912.db2.gz MDSVFZVQDPJSHN-NSHDSACASA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)[C@@H](C)O1 ZINC000384561651 367700957 /nfs/dbraw/zinc/70/09/57/367700957.db2.gz HVPSZACPIQWXFY-NQBHXWOUSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000384279111 367681916 /nfs/dbraw/zinc/68/19/16/367681916.db2.gz AZNDCPASFFCDJR-JHJVBQTASA-N 2 0 240.391 1.610 20 0 BDADRP Cc1cnccc1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000385041701 367776635 /nfs/dbraw/zinc/77/66/35/367776635.db2.gz OCJVQOWEBUDJMT-GXTWGEPZSA-N 2 0 233.359 1.949 20 0 BDADRP Cc1cnccc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000385034826 367776909 /nfs/dbraw/zinc/77/69/09/367776909.db2.gz LXANKJRKWAUGPG-UHFFFAOYSA-N 2 0 233.359 1.951 20 0 BDADRP C[N@H+](CCCOCC(F)(F)F)C1CC([NH3+])C1 ZINC000385091714 367788218 /nfs/dbraw/zinc/78/82/18/367788218.db2.gz YCWIFQLEQDRKLB-UHFFFAOYSA-N 2 0 240.269 1.377 20 0 BDADRP C[C@H](CC(C)(C)O)[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000385965630 367891567 /nfs/dbraw/zinc/89/15/67/367891567.db2.gz GAYVGDNKEFPNLM-IJLUTSLNSA-N 2 0 228.380 1.656 20 0 BDADRP C[C@@H]1CC[C@H](NC2CC[NH+](C3CC3)CC2)C[NH2+]1 ZINC000399192904 367897886 /nfs/dbraw/zinc/89/78/86/367897886.db2.gz QRJVCCLGOBOMHZ-YPMHNXCESA-N 2 0 237.391 1.343 20 0 BDADRP CO[C@H](C)CC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386542698 367989044 /nfs/dbraw/zinc/98/90/44/367989044.db2.gz DTAFXKHOWHGAQH-IJLUTSLNSA-N 2 0 214.353 1.532 20 0 BDADRP CC[N@H+](C)CCN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386575480 367993968 /nfs/dbraw/zinc/99/39/68/367993968.db2.gz NBHLPOKCNABZMG-NEPJUHHUSA-N 2 0 213.369 1.058 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC000566244666 326022738 /nfs/dbraw/zinc/02/27/38/326022738.db2.gz NPWUPEHQDXRDII-LBPRGKRZSA-N 3 0 225.380 1.060 20 0 BDADRP CC[C@H](CN[C@H](C)[C@H]1CCCC[NH2+]1)OC ZINC000386612511 368001317 /nfs/dbraw/zinc/00/13/17/368001317.db2.gz WWFQEBMXFVEMOK-IJLUTSLNSA-N 2 0 214.353 1.532 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CC12CCCC2 ZINC000386983632 368040941 /nfs/dbraw/zinc/04/09/41/368040941.db2.gz COCLWWKPLMRJPL-VXGBXAGGSA-N 2 0 226.364 1.663 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)O1 ZINC000252866633 368161146 /nfs/dbraw/zinc/16/11/46/368161146.db2.gz QLQLWIOACUPGDD-BJJPWKGXSA-N 2 0 238.375 1.613 20 0 BDADRP NC(=[NH2+])NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000073757077 368814307 /nfs/dbraw/zinc/81/43/07/368814307.db2.gz XWZZPWKESMQFKC-LBPRGKRZSA-N 2 0 232.331 1.307 20 0 BDADRP COC[C@@H]([NH2+]CC1CC[NH2+]CC1)C(C)C ZINC000086701402 368884025 /nfs/dbraw/zinc/88/40/25/368884025.db2.gz GKIAOUIDOXVMKB-GFCCVEGCSA-N 2 0 214.353 1.247 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)CCO1 ZINC000623657231 368997127 /nfs/dbraw/zinc/99/71/27/368997127.db2.gz LSWQXAYDKFHDEC-RDBSUJKOSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](C[C@@H]1CCCCO1)C2 ZINC000631830680 369009201 /nfs/dbraw/zinc/00/92/01/369009201.db2.gz YWSDOPVFFKJBHP-MELADBBJSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@H]1NC[C@@H]1CCCC[NH+](C)C1 ZINC000623655867 368991387 /nfs/dbraw/zinc/99/13/87/368991387.db2.gz HUQJDWARACYUHJ-HZSPNIEDSA-N 2 0 239.407 1.258 20 0 BDADRP C[C@@H]1C[N@H+](CCCC2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000631836494 369080324 /nfs/dbraw/zinc/08/03/24/369080324.db2.gz AFOMYUMHUMIWRH-TZMCWYRMSA-N 2 0 239.407 1.293 20 0 BDADRP [NH3+]Cc1ccc(OCC[C@H]2CC[NH2+]C2)cc1 ZINC000567492475 326203769 /nfs/dbraw/zinc/20/37/69/326203769.db2.gz AHZVIMLQVGTJJZ-GFCCVEGCSA-N 2 0 220.316 1.524 20 0 BDADRP CCO[C@@H]1C[C@@H]1[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000567640425 326236716 /nfs/dbraw/zinc/23/67/16/326236716.db2.gz HXZIWSHHKDMQLM-WHOHXGKFSA-N 2 0 212.337 1.142 20 0 BDADRP C[C@@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000459358583 203266574 /nfs/dbraw/zinc/26/65/74/203266574.db2.gz BHGUNCJDHYMXCJ-DYEKYZERSA-N 2 0 238.375 1.316 20 0 BDADRP C[C@@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000459358584 203266934 /nfs/dbraw/zinc/26/69/34/203266934.db2.gz BHGUNCJDHYMXCJ-MBNYWOFBSA-N 2 0 238.375 1.316 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@H](C)O)C[C@H]1C ZINC000459356595 203268142 /nfs/dbraw/zinc/26/81/42/203268142.db2.gz LNZMECABCNOBID-GRYCIOLGSA-N 2 0 214.353 1.172 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@@H](C)O)[C@@H](C)C1 ZINC000459382365 203270124 /nfs/dbraw/zinc/27/01/24/203270124.db2.gz SYKDGORQPBJIEC-QJPTWQEYSA-N 2 0 214.353 1.029 20 0 BDADRP C[NH+](C)CC(C)(C)NCC[C@@H]1CCC[N@@H+]1C ZINC000459551565 203298439 /nfs/dbraw/zinc/29/84/39/203298439.db2.gz SFUWGQBPACLPQI-LBPRGKRZSA-N 2 0 227.396 1.401 20 0 BDADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cc[nH]c2)C1 ZINC000459732819 203344763 /nfs/dbraw/zinc/34/47/63/203344763.db2.gz NBFATLXYFBUYHI-LBPRGKRZSA-N 2 0 221.348 1.836 20 0 BDADRP CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000459746818 203354574 /nfs/dbraw/zinc/35/45/74/203354574.db2.gz VJAKRBPJQGIHTK-OXHZDVMGSA-N 2 0 238.375 1.769 20 0 BDADRP C[C@H]1C[C@H]([NH3+])CN1Cc1cccc2c1CC[NH2+]C2 ZINC000631863033 369594877 /nfs/dbraw/zinc/59/48/77/369594877.db2.gz WVEOGRSLAXCEAD-FZMZJTMJSA-N 3 0 245.370 1.254 20 0 BDADRP Cc1cc(C)c(CN2C[C@H]([NH3+])C[C@H]2C)c(C)n1 ZINC000631863405 369613567 /nfs/dbraw/zinc/61/35/67/369613567.db2.gz ZWIMIJUPLUBSOJ-DGCLKSJQSA-N 2 0 233.359 1.928 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000568180937 326321809 /nfs/dbraw/zinc/32/18/09/326321809.db2.gz GRFRIMGAOIQHOG-NDBYEHHHSA-N 2 0 226.364 1.077 20 0 BDADRP C[C@H](C[S@](C)=O)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000252803748 370134103 /nfs/dbraw/zinc/13/41/03/370134103.db2.gz CBGNXDQGYRUZIW-UVWXRNBGSA-N 2 0 246.420 1.073 20 0 BDADRP Cc1cc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)ccn1 ZINC000621774520 370519900 /nfs/dbraw/zinc/51/99/00/370519900.db2.gz WFLNJOMUNDWTIV-GXTWGEPZSA-N 2 0 233.359 1.949 20 0 BDADRP CCc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000079054203 370620143 /nfs/dbraw/zinc/62/01/43/370620143.db2.gz OWRLYXWUMORUJS-HUUCEWRRSA-N 2 0 230.355 1.900 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2CCCCO2)C1 ZINC000623867090 371134831 /nfs/dbraw/zinc/13/48/31/371134831.db2.gz QQJQFOGHRXIEGW-MCIONIFRSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@@H]1CCC[C@H]([NH2+]CCN2CC[C@H](O)C2)C1 ZINC000623836819 371119366 /nfs/dbraw/zinc/11/93/66/371119366.db2.gz KTDUXTCPADZVIA-RDBSUJKOSA-N 2 0 240.391 1.611 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCSC)[C@H](C)C1 ZINC000154756556 371159659 /nfs/dbraw/zinc/15/96/59/371159659.db2.gz KWWOFWUPDSJOMM-GHMZBOCLSA-N 2 0 216.394 1.669 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000631057139 371181809 /nfs/dbraw/zinc/18/18/09/371181809.db2.gz YGYHNRQVMJIKOD-ZDUSSCGKSA-N 2 0 249.358 1.607 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)[C@@H]1CCOC1 ZINC000624120537 371321321 /nfs/dbraw/zinc/32/13/21/371321321.db2.gz BKGAUVXZRUMSKN-BFHYXJOUSA-N 2 0 240.391 1.733 20 0 BDADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2COC(C)(C)C2)C1 ZINC000624124140 371324370 /nfs/dbraw/zinc/32/43/70/371324370.db2.gz YHYMGVRBLXJBCG-OLZOCXBDSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H](CC1CCCC1)[NH2+]CCN1CC[C@H](O)C1 ZINC000624336662 371486749 /nfs/dbraw/zinc/48/67/49/371486749.db2.gz WLKHVWBZZCJASO-JSGCOSHPSA-N 2 0 240.391 1.611 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H](OC)C2)[C@@H](C)C1 ZINC000624309599 371471854 /nfs/dbraw/zinc/47/18/54/371471854.db2.gz RSMXPCCUVOPGBK-FQUUOJAGSA-N 2 0 240.391 1.731 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@]2(CCOC2)C1 ZINC000163263215 371962253 /nfs/dbraw/zinc/96/22/53/371962253.db2.gz POZQOGOLHROHTF-KBPBESRZSA-N 2 0 238.375 1.583 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC[C@@H](O)C(F)F)CN1C1CC1 ZINC000631216574 372238877 /nfs/dbraw/zinc/23/88/77/372238877.db2.gz LKGUGJHMTMBBOL-WCABBAIRSA-N 2 0 248.317 1.217 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CCC[C@@H]2O)CC1(C)C ZINC000631250901 372260535 /nfs/dbraw/zinc/26/05/35/372260535.db2.gz CBZGSMRXIRICSH-WOPDTQHZSA-N 2 0 226.364 1.362 20 0 BDADRP C[C@H]1OCC[C@H]1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000631829638 372611122 /nfs/dbraw/zinc/61/11/22/372611122.db2.gz WNSIVSKVZWOFPN-RFGFWPKPSA-N 2 0 238.375 1.472 20 0 BDADRP C[C@H]1OCC[C@H]1C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000631829657 372613216 /nfs/dbraw/zinc/61/32/16/372613216.db2.gz WZYAIWYTKQNGMI-YIYPIFLZSA-N 2 0 240.391 1.861 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000631830531 372613335 /nfs/dbraw/zinc/61/33/35/372613335.db2.gz UZRMBZNSXJWZLB-LOWDOPEQSA-N 2 0 224.348 1.225 20 0 BDADRP N[C@@H]1CCCCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000631833607 372618340 /nfs/dbraw/zinc/61/83/40/372618340.db2.gz DRGJAJXFGGRDON-CQSZACIVSA-N 2 0 239.407 1.579 20 0 BDADRP C[C@H]1C[N@H+](Cc2cccnc2)C[C@H]1C[NH3+] ZINC000631840757 372636437 /nfs/dbraw/zinc/63/64/37/372636437.db2.gz VGJMSUJULZLNQX-CMPLNLGQSA-N 2 0 205.305 1.108 20 0 BDADRP C[C@H](c1cccnc1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841053 372637816 /nfs/dbraw/zinc/63/78/16/372637816.db2.gz XNCBJRYFVSRNOG-NQBHXWOUSA-N 2 0 219.332 1.669 20 0 BDADRP C(C[C@H]1CCCO1)[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631866874 372667800 /nfs/dbraw/zinc/66/78/00/372667800.db2.gz BEABSICALBDIKO-UPJWGTAASA-N 2 0 224.348 1.287 20 0 BDADRP C(CC1CC[NH2+]CC1)[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631868075 372670695 /nfs/dbraw/zinc/67/06/95/372670695.db2.gz VTEGUPHNYQEPQW-KGLIPLIRSA-N 3 0 237.391 1.108 20 0 BDADRP C([C@H]1CCCCO1)[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631890095 372685877 /nfs/dbraw/zinc/68/58/77/372685877.db2.gz MCWNEHULHGQGNZ-MGPQQGTHSA-N 2 0 238.375 1.629 20 0 BDADRP CC(C)COCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631890900 372687229 /nfs/dbraw/zinc/68/72/29/372687229.db2.gz ULAQVZPTWJLAMY-UONOGXRCSA-N 2 0 240.391 1.733 20 0 BDADRP Cc1ccc(NC(=O)N2C[C@@H]([NH3+])C[C@H]2C)c(C)n1 ZINC000632920229 373220125 /nfs/dbraw/zinc/22/01/25/373220125.db2.gz USDLCLVDUOGQOU-KOLCDFICSA-N 2 0 248.330 1.652 20 0 BDADRP F[C@H](c1nc([C@H]2CCC[NH2+]2)no1)[C@@H]1CC[NH2+]C1 ZINC000634556660 374314668 /nfs/dbraw/zinc/31/46/68/374314668.db2.gz AMKVXYSRLRRIDN-HLTSFMKQSA-N 2 0 240.282 1.114 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424369347 206038546 /nfs/dbraw/zinc/03/85/46/206038546.db2.gz BLIXVLYXMKMZPY-LNFKQOIKSA-N 2 0 200.326 1.269 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424378132 206039000 /nfs/dbraw/zinc/03/90/00/206039000.db2.gz SFCSOMCDABTUED-MROQNXINSA-N 2 0 208.349 1.892 20 0 BDADRP CC[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425893750 206045999 /nfs/dbraw/zinc/04/59/99/206045999.db2.gz DZQSKVQVEUAFTA-UHFFFAOYSA-N 2 0 209.293 1.251 20 0 BDADRP CCc1cc(N2CC[N@H+](CCO)[C@@H](C)C2)cc[nH+]1 ZINC000450449893 206103706 /nfs/dbraw/zinc/10/37/06/206103706.db2.gz FRHFIBPSMLRFRW-LBPRGKRZSA-N 2 0 249.358 1.147 20 0 BDADRP CC(C)C[C@H]1COCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000178972823 134314360 /nfs/dbraw/zinc/31/43/60/134314360.db2.gz GYZOKNVCVRMAQA-AWEZNQCLSA-N 2 0 240.391 1.733 20 0 BDADRP CCC[N@H+](C)CC(=O)NCCC[NH+](C)C(C)C ZINC000359340640 169070561 /nfs/dbraw/zinc/07/05/61/169070561.db2.gz LGLBLIXXXYYHLM-UHFFFAOYSA-N 2 0 243.395 1.175 20 0 BDADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCC[C@H](C)O)C1 ZINC000336701867 169077377 /nfs/dbraw/zinc/07/73/77/169077377.db2.gz JYTVYSSVAOGTKD-UONOGXRCSA-N 2 0 242.407 1.811 20 0 BDADRP O[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128026242 183189430 /nfs/dbraw/zinc/18/94/30/183189430.db2.gz LQGUNSNPUSZUJB-YIYPIFLZSA-N 2 0 238.375 1.506 20 0 BDADRP CCC[N@H+](CC)CCNC(=O)[C@@H]([NH3+])CC(C)C ZINC000226406809 169120329 /nfs/dbraw/zinc/12/03/29/169120329.db2.gz NCHATSLYTYTWDX-LBPRGKRZSA-N 2 0 243.395 1.208 20 0 BDADRP CCC[NH+]1CCC(C[NH2+]Cc2ncc[nH]2)CC1 ZINC000066593900 169186420 /nfs/dbraw/zinc/18/64/20/169186420.db2.gz HVGNWGVHUZMBET-UHFFFAOYSA-N 2 0 236.363 1.621 20 0 BDADRP CCC[NH+]1CCC(N(C)C(=O)CCC[NH3+])CC1 ZINC000038100744 169187604 /nfs/dbraw/zinc/18/76/04/169187604.db2.gz XTTNBKLLNCUEJH-UHFFFAOYSA-N 2 0 241.379 1.058 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@H](OC)C2CC2)CC1 ZINC000340489144 169188073 /nfs/dbraw/zinc/18/80/73/169188073.db2.gz QYKMBRLNJUIQBQ-AWEZNQCLSA-N 2 0 240.391 1.875 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000038043757 169188184 /nfs/dbraw/zinc/18/81/84/169188184.db2.gz MCIKGKVPNRLTCW-ZDUSSCGKSA-N 2 0 240.391 1.877 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@]2(C)CCOC2)CC1 ZINC000360245442 169188390 /nfs/dbraw/zinc/18/83/90/169188390.db2.gz ONQLYHGCLWQMQC-AWEZNQCLSA-N 2 0 240.391 1.877 20 0 BDADRP CCC[NH+]1CCC(NC[C@H](C)C[NH3+])CC1 ZINC000309013358 169188638 /nfs/dbraw/zinc/18/86/38/169188638.db2.gz YHYJUHWAYPUJGW-LLVKDONJSA-N 2 0 213.369 1.045 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H](CC)CO)CC1 ZINC000020194543 169189105 /nfs/dbraw/zinc/18/91/05/169189105.db2.gz SDVABVCOTZNZGD-LLVKDONJSA-N 2 0 214.353 1.221 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2O)CC1 ZINC000042237126 169190083 /nfs/dbraw/zinc/19/00/83/169190083.db2.gz OSUAMMWRDROPNK-STQMWFEESA-N 2 0 226.364 1.364 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@@H]2C[C@H]2C)C1 ZINC000336764431 169209257 /nfs/dbraw/zinc/20/92/57/169209257.db2.gz PXSSUWJPSMANDS-UPJWGTAASA-N 2 0 210.365 1.964 20 0 BDADRP CCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363256498 169211415 /nfs/dbraw/zinc/21/14/15/169211415.db2.gz LGGQIRCURAUPAC-UPJWGTAASA-N 2 0 208.349 1.813 20 0 BDADRP c1cc2c(c(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)c1)NCC2 ZINC000359456867 183364929 /nfs/dbraw/zinc/36/49/29/183364929.db2.gz NBPFWVMZORYGFI-KBPBESRZSA-N 2 0 243.354 1.306 20 0 BDADRP c1ccc(CC[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000041231977 183392691 /nfs/dbraw/zinc/39/26/91/183392691.db2.gz SWSMFPHBGCLFFH-CQSZACIVSA-N 2 0 218.344 1.818 20 0 BDADRP CCC[C@@H]([NH3+])C(=O)N1CCC[N@H+](CCC)CC1 ZINC000370782200 169388297 /nfs/dbraw/zinc/38/82/97/169388297.db2.gz RZUYTUKRWZABEK-GFCCVEGCSA-N 2 0 241.379 1.058 20 0 BDADRP CCC[C@@H](C[NH2+][C@H](C)CCC[NH3+])OC ZINC000356338707 169385553 /nfs/dbraw/zinc/38/55/53/169385553.db2.gz JLLVBTLHBIRYHZ-MNOVXSKESA-N 2 0 202.342 1.519 20 0 BDADRP CCC[C@@H]([NH3+])C(=O)N(CCC)C1CC[NH2+]CC1 ZINC000236899698 169386633 /nfs/dbraw/zinc/38/66/33/169386633.db2.gz IQUYIFHMJYHYBV-GFCCVEGCSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@@H]1CCC[C@H](CO)[N@@H+]1CCCn1ccnc1 ZINC000181402806 134336149 /nfs/dbraw/zinc/33/61/49/134336149.db2.gz GGSOPCSISLJDLL-CHWSQXEVSA-N 2 0 237.347 1.509 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)OC)[C@@H](C)C1 ZINC000224571754 134348687 /nfs/dbraw/zinc/34/86/87/134348687.db2.gz GHASHWZEUONMTI-NWDGAFQWSA-N 2 0 228.380 1.731 20 0 BDADRP CC[C@@H](C)[N@H+](C)CCNC1CC[NH+](C)CC1 ZINC000226318232 134360354 /nfs/dbraw/zinc/36/03/54/134360354.db2.gz OJZHXRFVNMJZQX-GFCCVEGCSA-N 2 0 227.396 1.401 20 0 BDADRP C[C@@H]1CCC[C@@H]([NH2+]CCOCC[NH+](C)C)C1 ZINC000226745125 134370665 /nfs/dbraw/zinc/37/06/65/134370665.db2.gz DHBJZWXZOPLNFW-CHWSQXEVSA-N 2 0 228.380 1.733 20 0 BDADRP CC(C)CCC[N@H+](C)CCOCC[NH3+] ZINC000301013127 383842626 /nfs/dbraw/zinc/84/26/26/383842626.db2.gz GYZOEMRRYHOYSG-UHFFFAOYSA-N 2 0 202.342 1.330 20 0 BDADRP CC(C)N(C)C[C@H](C)[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000309328938 383880039 /nfs/dbraw/zinc/88/00/39/383880039.db2.gz HGYPIKBXHMEASL-AVGNSLFASA-N 2 0 228.380 1.730 20 0 BDADRP CC[C@H](O)[C@H](CC)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000313090356 383867331 /nfs/dbraw/zinc/86/73/31/383867331.db2.gz ACQLIBKQBBEQLB-MQYQWHSLSA-N 2 0 240.391 1.752 20 0 BDADRP CCOC[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000308654779 383881113 /nfs/dbraw/zinc/88/11/13/383881113.db2.gz MWVHSLLLQRZLFJ-WDEREUQCSA-N 2 0 202.342 1.519 20 0 BDADRP COC[C@@H](C)C[NH2+]CCC[N@H+](C)C(C)C ZINC000220565350 383882999 /nfs/dbraw/zinc/88/29/99/383882999.db2.gz BAKNOOMEROTBOI-LBPRGKRZSA-N 2 0 216.369 1.589 20 0 BDADRP CC[C@H](O)[C@H](CC)[NH2+][C@H](C)CCCC[NH3+] ZINC000313103688 383884792 /nfs/dbraw/zinc/88/47/92/383884792.db2.gz WFXPUBKQMVESJN-WOPDTQHZSA-N 2 0 216.369 1.643 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000643542752 383984292 /nfs/dbraw/zinc/98/42/92/383984292.db2.gz UHCSRYMSYGYQCL-MROQNXINSA-N 2 0 226.364 1.661 20 0 BDADRP Cc1n[nH]cc1[C@@H](C)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000643541904 383941542 /nfs/dbraw/zinc/94/15/42/383941542.db2.gz PCDNVGVRGBBJGV-ZYHUDNBSSA-N 2 0 236.363 1.901 20 0 BDADRP C[C@H](CCCCO)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000643541905 383941773 /nfs/dbraw/zinc/94/17/73/383941773.db2.gz PNFBDJXBWJKEAB-CHWSQXEVSA-N 2 0 228.380 1.659 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCC(F)(F)F)C1 ZINC000070911435 383959993 /nfs/dbraw/zinc/95/99/93/383959993.db2.gz SWQJYOPGFQXUOB-DTWKUNHWSA-N 2 0 224.270 1.998 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](CCC(F)(F)F)CC1 ZINC000070911473 383960089 /nfs/dbraw/zinc/96/00/89/383960089.db2.gz ZQWWCAGQUKFESP-QMMMGPOBSA-N 2 0 224.270 1.998 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCC(F)(F)F)C1 ZINC000070911442 383960167 /nfs/dbraw/zinc/96/01/67/383960167.db2.gz SWQJYOPGFQXUOB-RKDXNWHRSA-N 2 0 224.270 1.998 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)[C@H](C)O1 ZINC000643548388 384035825 /nfs/dbraw/zinc/03/58/25/384035825.db2.gz OPNGYRFNHITFTH-VOAKCMCISA-N 2 0 238.375 1.817 20 0 BDADRP CC[N@H+](CCO)CC[C@@H]1CCCC[NH+]1C ZINC000049754617 384037423 /nfs/dbraw/zinc/03/74/23/384037423.db2.gz FKQVRLQBOKXBES-LBPRGKRZSA-N 2 0 214.353 1.175 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCO[C@@H]1C ZINC000308712433 384059374 /nfs/dbraw/zinc/05/93/74/384059374.db2.gz ZMZVWBNZWMGDEA-MXWKQRLJSA-N 2 0 200.326 1.271 20 0 BDADRP [NH3+][C@@H](CC(=O)N1CCC([NH3+])CC1)c1ccccc1 ZINC000569455531 384060987 /nfs/dbraw/zinc/06/09/87/384060987.db2.gz JWQRYHWOIUMACO-ZDUSSCGKSA-N 2 0 247.342 1.026 20 0 BDADRP Cn1cc(CCC[NH2+]CC2=CC[N@H+](C)CC2)cn1 ZINC000314550146 384114140 /nfs/dbraw/zinc/11/41/40/384114140.db2.gz RTQALPVHTKUVDT-UHFFFAOYSA-N 2 0 248.374 1.204 20 0 BDADRP CC(C)[C@H](O)CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000569503107 384136065 /nfs/dbraw/zinc/13/60/65/384136065.db2.gz NUIYAPVASXGNNK-GRYCIOLGSA-N 2 0 214.353 1.253 20 0 BDADRP C[NH+](C)CCSCC[NH+]1CCCCC1 ZINC000007056147 384172971 /nfs/dbraw/zinc/17/29/71/384172971.db2.gz KGWZHXLPGRAGRL-UHFFFAOYSA-N 2 0 216.394 1.767 20 0 BDADRP C[C@H](C[NH2+][C@H](C)CCC[NH3+])C[NH+]1CCCCC1 ZINC000310403440 384159152 /nfs/dbraw/zinc/15/91/52/384159152.db2.gz NQTKBZDUKILNGI-ZIAGYGMSSA-N 3 0 241.423 1.825 20 0 BDADRP C[C@H]([NH2+]CCc1cn(C)cn1)c1ccco1 ZINC000313253358 384164135 /nfs/dbraw/zinc/16/41/35/384164135.db2.gz PJKRVYMEFSFCEQ-JTQLQIEISA-N 2 0 219.288 1.906 20 0 BDADRP C[C@H](C(=O)N(C)[C@@H](C)C[NH3+])[NH+]1CCCCCC1 ZINC000237437055 384195368 /nfs/dbraw/zinc/19/53/68/384195368.db2.gz RUBNPIMIOAYDKZ-NWDGAFQWSA-N 2 0 241.379 1.057 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](CC2(OC)CCCC2)C1 ZINC000319461191 384250200 /nfs/dbraw/zinc/25/02/00/384250200.db2.gz OZHIJWLRROJZPT-ZDUSSCGKSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@@H]1C[C@H](N(C)Cc2cccn2C)CC[N@@H+]1C ZINC000093644981 384254974 /nfs/dbraw/zinc/25/49/74/384254974.db2.gz OXZREWARIPNRNU-CHWSQXEVSA-N 2 0 235.375 1.940 20 0 BDADRP Cc1noc(C)c1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228471493 384258036 /nfs/dbraw/zinc/25/80/36/384258036.db2.gz XPJKLPCOWUGVSN-IACUBPJLSA-N 2 0 249.358 1.851 20 0 BDADRP C[NH2+]CC1CC[NH+](CC2(OC)CCCC2)CC1 ZINC000319525390 384260006 /nfs/dbraw/zinc/26/00/06/384260006.db2.gz ZQONMZGFXGMZSH-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@@H](C[N@@H+]1CCCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000313345219 384274430 /nfs/dbraw/zinc/27/44/30/384274430.db2.gz FFUOYEDQWSYOMJ-DZGCQCFKSA-N 2 0 248.370 1.840 20 0 BDADRP CC[C@H](O)C[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000174210837 384308828 /nfs/dbraw/zinc/30/88/28/384308828.db2.gz PZJICEQLUCNXIF-OLZOCXBDSA-N 2 0 228.380 1.421 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]C[C@H](C)CO)CC1 ZINC000083215785 384289408 /nfs/dbraw/zinc/28/94/08/384289408.db2.gz ZHGYTDWEDMKZRW-NSHDSACASA-N 2 0 214.353 1.077 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCC3(O)CCC3)C2)C1 ZINC000335473944 384290682 /nfs/dbraw/zinc/29/06/82/384290682.db2.gz FWAYGLLNKLFXNB-CYBMUJFWSA-N 2 0 238.375 1.319 20 0 BDADRP COC[C@@H](C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173955228 384291110 /nfs/dbraw/zinc/29/11/10/384291110.db2.gz JAODHPZISLFHQD-OLZOCXBDSA-N 2 0 228.380 1.828 20 0 BDADRP Cc1cccc(NC[C@H](C)C[NH+](C)C)[nH+]1 ZINC000291656918 384297085 /nfs/dbraw/zinc/29/70/85/384297085.db2.gz CLUVSAWNOGGZKQ-JTQLQIEISA-N 2 0 207.321 2.000 20 0 BDADRP C[NH+]1CCC(C[NH2+]Cc2cc[nH]c2)CC1 ZINC000085579628 134406327 /nfs/dbraw/zinc/40/63/27/134406327.db2.gz CXFZBDUVSMUSBN-UHFFFAOYSA-N 2 0 207.321 1.446 20 0 BDADRP CC(C)OC(=O)CC[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000566412116 384398050 /nfs/dbraw/zinc/39/80/50/384398050.db2.gz CCQVMAVRXWQPME-MNOVXSKESA-N 2 0 228.336 1.140 20 0 BDADRP CC(C)OC(=O)CC[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000566412118 384398238 /nfs/dbraw/zinc/39/82/38/384398238.db2.gz CCQVMAVRXWQPME-WDEREUQCSA-N 2 0 228.336 1.140 20 0 BDADRP Nc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cn1 ZINC000647512005 384400342 /nfs/dbraw/zinc/40/03/42/384400342.db2.gz YXXMUAZJACWIHT-RWMBFGLXSA-N 2 0 246.358 1.053 20 0 BDADRP C[NH+](C)CCCC[NH2+]Cc1cccc(O)c1 ZINC000045663560 384402504 /nfs/dbraw/zinc/40/25/04/384402504.db2.gz WMNZAVOHOQGRMK-UHFFFAOYSA-N 2 0 222.332 1.824 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC(C)(C)CCO ZINC000122121764 384458690 /nfs/dbraw/zinc/45/86/90/384458690.db2.gz QVUQVTGUCCZOPM-RYUDHWBXSA-N 2 0 228.380 1.325 20 0 BDADRP CO[C@H](C)CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400380167 533070166 /nfs/dbraw/zinc/07/01/66/533070166.db2.gz JWYBTGXTGLAWRA-VWYCJHECSA-N 2 0 200.326 1.142 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000019843422 384546345 /nfs/dbraw/zinc/54/63/45/384546345.db2.gz FCFNXRHHFWNXTN-LBPRGKRZSA-N 2 0 205.305 1.252 20 0 BDADRP COCCCCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428030579 384554054 /nfs/dbraw/zinc/55/40/54/384554054.db2.gz IOEFXVGIPXTFHG-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP CCCC[N@H+](C)CCNC(=O)[C@@H]([NH3+])[C@H](C)CC ZINC000236712409 384558650 /nfs/dbraw/zinc/55/86/50/384558650.db2.gz OQKSSRZMUJCFNW-NEPJUHHUSA-N 2 0 243.395 1.208 20 0 BDADRP CC(C)OCCCN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428033711 384560929 /nfs/dbraw/zinc/56/09/29/384560929.db2.gz MTYLXNOYOXAAEM-QWHCGFSZSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(CC3CC3)C2)CO1 ZINC000647181870 384561044 /nfs/dbraw/zinc/56/10/44/384561044.db2.gz WOBJEYUUUBHIHD-RTXFEEFZSA-N 2 0 224.348 1.238 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)Cn1cccn1 ZINC000309738874 384568441 /nfs/dbraw/zinc/56/84/41/384568441.db2.gz HEIMYJVRQFWIKJ-NEPJUHHUSA-N 2 0 224.352 1.201 20 0 BDADRP C[C@@H]1[C@H]([NH2+]C2CCC(O)CC2)CCCN1C ZINC000309734487 384572746 /nfs/dbraw/zinc/57/27/46/384572746.db2.gz BZYJBTXFPZFWQR-IKWCTNDRSA-N 2 0 226.364 1.362 20 0 BDADRP COC(=O)[C@H](C)C[N@H+](C)CCCn1ccnc1 ZINC000050068887 384590613 /nfs/dbraw/zinc/59/06/13/384590613.db2.gz HKBDRCUGXBWSOK-LLVKDONJSA-N 2 0 239.319 1.014 20 0 BDADRP C(CN1CC[C@@H]2CC[NH2+][C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000643066835 384578515 /nfs/dbraw/zinc/57/85/15/384578515.db2.gz UJPLQVQKTJPVOE-MELADBBJSA-N 2 0 237.391 1.060 20 0 BDADRP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)C1(C)CC1 ZINC000151323170 384566160 /nfs/dbraw/zinc/56/61/60/384566160.db2.gz CVXOOLNKMMOKFR-CHWSQXEVSA-N 2 0 240.391 1.611 20 0 BDADRP CCC[NH+]1CCC([N@H+](C)C[C@@H](C)O)CC1 ZINC000171594678 384610977 /nfs/dbraw/zinc/61/09/77/384610977.db2.gz JHMDXFKPOHALEN-LLVKDONJSA-N 2 0 214.353 1.173 20 0 BDADRP CC(C)[C@H]1C[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)CCN1 ZINC000647531656 384633879 /nfs/dbraw/zinc/63/38/79/384633879.db2.gz PBVLFSZABSQFCN-HZSPNIEDSA-N 2 0 239.407 1.304 20 0 BDADRP CC[NH2+]CCC[NH2+][C@@H]1C[C@H](OCC)C12CCC2 ZINC000564822253 384631700 /nfs/dbraw/zinc/63/17/00/384631700.db2.gz JHZAAUBEBFFVBM-OLZOCXBDSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](Cc2cncn2C)C[C@H]1C[NH3+] ZINC000397414453 384601630 /nfs/dbraw/zinc/60/16/30/384601630.db2.gz XILXWYUNYQLAMY-GRYCIOLGSA-N 2 0 236.363 1.225 20 0 BDADRP CC[C@@H](C)C[N@H+](C)C[C@H](O)CN(C)C1CC1 ZINC000336657383 384665989 /nfs/dbraw/zinc/66/59/89/384665989.db2.gz LVVLFYGGMIKREI-YPMHNXCESA-N 2 0 228.380 1.419 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCOc1ccccc1 ZINC000042896793 384645997 /nfs/dbraw/zinc/64/59/97/384645997.db2.gz DQPXIWALSRBRSJ-CHWSQXEVSA-N 2 0 234.343 1.877 20 0 BDADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cnn(C)c1 ZINC000271847171 384647521 /nfs/dbraw/zinc/64/75/21/384647521.db2.gz ICFVOBFNIUIVTE-NSHDSACASA-N 2 0 234.347 1.333 20 0 BDADRP C[NH+](C)CCOCC[NH2+][C@H]1CCC12CCC2 ZINC000309836331 384651252 /nfs/dbraw/zinc/65/12/52/384651252.db2.gz BENXHTIUBMTAAF-LBPRGKRZSA-N 2 0 226.364 1.487 20 0 BDADRP CCC1CC([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000309619457 384656023 /nfs/dbraw/zinc/65/60/23/384656023.db2.gz CUPZQTZITFTBBC-WXRRBKDZSA-N 2 0 226.364 1.221 20 0 BDADRP COC[C@H](C)C[NH2+]CC1([NH3+])CCCCC1 ZINC000556934306 384661934 /nfs/dbraw/zinc/66/19/34/384661934.db2.gz UPWADBQGRJKKCI-LLVKDONJSA-N 2 0 214.353 1.520 20 0 BDADRP C[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)[C@H](C)[NH3+] ZINC000449604762 384693919 /nfs/dbraw/zinc/69/39/19/384693919.db2.gz UPEILVXZBCFEJI-TUAOUCFPSA-N 2 0 241.379 1.103 20 0 BDADRP CC[C@](C)(O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000335918561 384700366 /nfs/dbraw/zinc/70/03/66/384700366.db2.gz ZLPHDWKELSQZAS-QWHCGFSZSA-N 2 0 226.364 1.175 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@@H]1C[N@H+](C)C[C@H]1C ZINC000309929947 384728768 /nfs/dbraw/zinc/72/87/68/384728768.db2.gz XLDPRLKNKDWMGV-JHJVBQTASA-N 2 0 227.396 1.256 20 0 BDADRP CCC([NH3+])(CC)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647546238 384729035 /nfs/dbraw/zinc/72/90/35/384729035.db2.gz GLDRAKBMGBRFKC-RWMBFGLXSA-N 3 0 239.407 1.482 20 0 BDADRP C([NH2+][C@H]1CC[C@@H]1C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000423221236 384779082 /nfs/dbraw/zinc/77/90/82/384779082.db2.gz ZLCUXBNLKABNEC-RTXFEEFZSA-N 2 0 208.349 1.764 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@H]2CCn3ccnc32)CC1 ZINC000335953903 384735858 /nfs/dbraw/zinc/73/58/58/384735858.db2.gz GXVIGQLBZFOWRO-GFCCVEGCSA-N 2 0 234.347 1.259 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CCCCS1 ZINC000308477123 384741591 /nfs/dbraw/zinc/74/15/91/384741591.db2.gz FDDKNSYEHRPVFJ-QWRGUYRKSA-N 2 0 216.394 1.989 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CN[C@@H]1C[NH2+]C[C@H](C)C1 ZINC000647549877 384748308 /nfs/dbraw/zinc/74/83/08/384748308.db2.gz WKCWKXKITFJVCU-HZSPNIEDSA-N 2 0 239.407 1.448 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CN[C@H]1C[NH2+]C[C@H](C)C1 ZINC000647549879 384748544 /nfs/dbraw/zinc/74/85/44/384748544.db2.gz WKCWKXKITFJVCU-MGPQQGTHSA-N 2 0 239.407 1.448 20 0 BDADRP CCc1ncc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])s1 ZINC000647552537 384761922 /nfs/dbraw/zinc/76/19/22/384761922.db2.gz FTMLEWWIAKDSKN-IUCAKERBSA-N 2 0 227.377 1.921 20 0 BDADRP CC(=O)Nc1ccccc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000647552819 384762132 /nfs/dbraw/zinc/76/21/32/384762132.db2.gz ZAUFGCHVXIRPSS-GHMZBOCLSA-N 2 0 249.358 1.860 20 0 BDADRP CC[NH+](CC)C[C@H]1CCN(CCOC)C1 ZINC000174211358 384766547 /nfs/dbraw/zinc/76/65/47/384766547.db2.gz AQSLVJMVQBIPNP-GFCCVEGCSA-N 2 0 214.353 1.297 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](NCc2ccc(C[NH3+])cc2)C1 ZINC000647553163 384767953 /nfs/dbraw/zinc/76/79/53/384767953.db2.gz FSGSNZPUHZKORM-FZMZJTMJSA-N 2 0 233.359 1.233 20 0 BDADRP C1=C(C[NH2+][C@@H]2CC[C@@H]2C2CC2)CC[NH2+]C1 ZINC000423343503 384817836 /nfs/dbraw/zinc/81/78/36/384817836.db2.gz DNQDHYNCVKBMAV-CHWSQXEVSA-N 2 0 206.333 1.684 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H]1CC[C@@H](C)O1 ZINC000398153384 384824464 /nfs/dbraw/zinc/82/44/64/384824464.db2.gz HLZBKGIGKMPHQB-MXWKQRLJSA-N 2 0 200.326 1.271 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)C1(C)C ZINC000310100022 384832610 /nfs/dbraw/zinc/83/26/10/384832610.db2.gz BBLJPVKBPHAGGU-JHJVBQTASA-N 2 0 242.407 1.977 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCSC1)[C@@H]1CCC[NH2+]1 ZINC000306577040 384782666 /nfs/dbraw/zinc/78/26/66/384782666.db2.gz KYAVVZFGFCDWJD-AXFHLTTASA-N 2 0 214.378 1.612 20 0 BDADRP COC[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)C1CC1 ZINC000398082284 384795888 /nfs/dbraw/zinc/79/58/88/384795888.db2.gz HASZUNXUAZRUID-QWHCGFSZSA-N 2 0 226.364 1.533 20 0 BDADRP c1ccc(COCC[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000390011223 384807226 /nfs/dbraw/zinc/80/72/26/384807226.db2.gz JDKAEBOCEAMTET-OAHLLOKOSA-N 2 0 248.370 1.792 20 0 BDADRP COC[C@H](C)[NH2+][C@@H]1CCCN(C)[C@H]1C ZINC000308627966 384870689 /nfs/dbraw/zinc/87/06/89/384870689.db2.gz XOGDLGCJOTYFPT-GARJFASQSA-N 2 0 200.326 1.094 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCC(C)(C)O ZINC000308643089 384885087 /nfs/dbraw/zinc/88/50/87/384885087.db2.gz FCPPUGXAEHFMQL-SNVBAGLBSA-N 2 0 202.342 1.255 20 0 BDADRP C(C[C@H]1CCC[NH2+]1)[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000423363678 384841041 /nfs/dbraw/zinc/84/10/41/384841041.db2.gz UVWDXGNQIWFQFI-JHJVBQTASA-N 2 0 208.349 1.907 20 0 BDADRP CC(C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000186600362 384858634 /nfs/dbraw/zinc/85/86/34/384858634.db2.gz DRIBOFGPZJYZGX-GFCCVEGCSA-N 2 0 213.369 1.010 20 0 BDADRP O=C1OCC[C@]12CCC[N@@H+]2CCCn1ccnc1 ZINC000186620105 384859761 /nfs/dbraw/zinc/85/97/61/384859761.db2.gz CRDSVOLIWXHWQB-CYBMUJFWSA-N 2 0 249.314 1.055 20 0 BDADRP CCC[NH+](CCC)CCC[NH2+][C@H](C)[C@@H](C)O ZINC000644543964 384953937 /nfs/dbraw/zinc/95/39/37/384953937.db2.gz DSLJGZZMQDYFPS-CHWSQXEVSA-N 2 0 230.396 1.857 20 0 BDADRP CC(C)C[C@H](CNC(=O)[C@@H](C)[C@@H](C)[NH3+])[NH+](C)C ZINC000156772196 384954980 /nfs/dbraw/zinc/95/49/80/384954980.db2.gz NUDRSZRLAFNYFK-QJPTWQEYSA-N 2 0 243.395 1.062 20 0 BDADRP CC(C)[C@@H](CO)[NH2+]CCC[NH+]1CCCCC1 ZINC000118956521 384955297 /nfs/dbraw/zinc/95/52/97/384955297.db2.gz OMSCBMWDHOSPQP-CYBMUJFWSA-N 2 0 228.380 1.469 20 0 BDADRP CCCC[NH+]1CCC([NH2+]C[C@@H](C)O)CC1 ZINC000644557040 384958308 /nfs/dbraw/zinc/95/83/08/384958308.db2.gz WVSYOJYOQPPPAM-LLVKDONJSA-N 2 0 214.353 1.221 20 0 BDADRP c1cncc([C@@H]2CC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)c1 ZINC000568512258 384908941 /nfs/dbraw/zinc/90/89/41/384908941.db2.gz RJMOLRKMHXJEOO-DZGCQCFKSA-N 2 0 245.370 1.871 20 0 BDADRP c1cncc([C@H]2CC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)c1 ZINC000568512264 384909411 /nfs/dbraw/zinc/90/94/11/384909411.db2.gz RJMOLRKMHXJEOO-ZFWWWQNUSA-N 2 0 245.370 1.871 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1=CC[NH+](C)CC1 ZINC000336145830 384923138 /nfs/dbraw/zinc/92/31/38/384923138.db2.gz NKWMORNLNRXPAB-GXTWGEPZSA-N 3 0 237.391 1.178 20 0 BDADRP COC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000401143504 533095797 /nfs/dbraw/zinc/09/57/97/533095797.db2.gz NHNXRRKYCVNFFY-DGAVXFQQSA-N 2 0 238.375 1.389 20 0 BDADRP C[C@@H]([NH3+])CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000257742234 384925207 /nfs/dbraw/zinc/92/52/07/384925207.db2.gz CCFKBYVPZMWFJW-OLZOCXBDSA-N 2 0 225.380 1.284 20 0 BDADRP CCN1C[C@H](C)[C@H]([NH2+]CCC[C@H]2CCOC2)C1 ZINC000449685125 384938905 /nfs/dbraw/zinc/93/89/05/384938905.db2.gz RLYWBSVXBNZAAG-MELADBBJSA-N 2 0 240.391 1.733 20 0 BDADRP c1cc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)ccn1 ZINC000258718857 384940435 /nfs/dbraw/zinc/94/04/35/384940435.db2.gz LNWKBHIIEPJADJ-LBPRGKRZSA-N 2 0 219.332 1.561 20 0 BDADRP CC(C)CCC[NH2+]CCCN1CC[NH2+]CC1 ZINC000258903539 384945131 /nfs/dbraw/zinc/94/51/31/384945131.db2.gz LEAXKROMONPMKK-UHFFFAOYSA-N 2 0 227.396 1.308 20 0 BDADRP CC[C@@H](O)C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000644569900 384966149 /nfs/dbraw/zinc/96/61/49/384966149.db2.gz MGBMSZMVRXMYNJ-VXGBXAGGSA-N 2 0 230.396 1.713 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C)[C@H](C)C2)CO1 ZINC000401870425 384994983 /nfs/dbraw/zinc/99/49/83/384994983.db2.gz BOJCYLBFUMJNOH-KKOKHZNYSA-N 2 0 212.337 1.236 20 0 BDADRP COC1(CC[NH2+][C@H]2CN(C)C[C@@H]2C)CCC1 ZINC000339444114 385000195 /nfs/dbraw/zinc/00/01/95/385000195.db2.gz DBSMRGXTOAOWLZ-RYUDHWBXSA-N 2 0 226.364 1.485 20 0 BDADRP C[NH+]1CCC(C[NH2+]Cc2ccns2)CC1 ZINC000404456057 385004065 /nfs/dbraw/zinc/00/40/65/385004065.db2.gz PISBPBVXBZTZIJ-UHFFFAOYSA-N 2 0 225.361 1.575 20 0 BDADRP C[C@@H](CC[NH+](C)C)NCc1ccns1 ZINC000404444726 385006220 /nfs/dbraw/zinc/00/62/20/385006220.db2.gz BSMKNHSDCNRXEV-VIFPVBQESA-N 2 0 213.350 1.573 20 0 BDADRP Cc1nc(CC[NH2+]C[C@]2(C)CC[NH2+]C2)cs1 ZINC000226467893 385016379 /nfs/dbraw/zinc/01/63/79/385016379.db2.gz DSCBBBRTZOWWLO-LBPRGKRZSA-N 2 0 239.388 1.583 20 0 BDADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000423500183 385017078 /nfs/dbraw/zinc/01/70/78/385017078.db2.gz IHPFNIDBQWPBIQ-GWNIPJSYSA-N 2 0 208.349 1.892 20 0 BDADRP CCSCC[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000130007509 385017181 /nfs/dbraw/zinc/01/71/81/385017181.db2.gz UYALTSQUKJDBFK-LLVKDONJSA-N 2 0 216.394 1.943 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCCN(Cc2ccns2)C1 ZINC000404489648 385019623 /nfs/dbraw/zinc/01/96/23/385019623.db2.gz GQQYDGSOJAYVNA-VHSXEESVSA-N 2 0 225.361 1.702 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CC1(N(C)C)CCCC1 ZINC000310444147 385062833 /nfs/dbraw/zinc/06/28/33/385062833.db2.gz WLNPHHOLOTVHAJ-ZDUSSCGKSA-N 2 0 241.423 1.968 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CCCN1C ZINC000336699830 385126330 /nfs/dbraw/zinc/12/63/30/385126330.db2.gz OYBDHCWRMSAYON-RYUDHWBXSA-N 2 0 213.369 1.188 20 0 BDADRP FC1(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000568883143 385098083 /nfs/dbraw/zinc/09/80/83/385098083.db2.gz RRMXAVDYSFQYSV-GFCCVEGCSA-N 2 0 226.339 1.810 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000404844523 385104840 /nfs/dbraw/zinc/10/48/40/385104840.db2.gz OJDMYHCZZKTFAQ-AXFHLTTASA-N 2 0 212.337 1.271 20 0 BDADRP CC(C)[C@@](C)(O)C[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000178117512 385184528 /nfs/dbraw/zinc/18/45/28/385184528.db2.gz YPCJOOZUGQEMBP-MQYQWHSLSA-N 2 0 242.407 1.712 20 0 BDADRP [NH3+][C@@H]1CCN(Cc2cccc3cnccc32)C1 ZINC000206899414 385187106 /nfs/dbraw/zinc/18/71/06/385187106.db2.gz OEJORZOTJQVBGI-CYBMUJFWSA-N 2 0 227.311 1.768 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@@H]1CCCCC[C@H]1[NH3+] ZINC000422715473 385195406 /nfs/dbraw/zinc/19/54/06/385195406.db2.gz MHVAQNMIELSCDK-BFHYXJOUSA-N 2 0 241.423 1.966 20 0 BDADRP FCCCCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000308829307 385197175 /nfs/dbraw/zinc/19/71/75/385197175.db2.gz IXJVEZKPHYLQNQ-NEPJUHHUSA-N 2 0 214.328 1.810 20 0 BDADRP C[NH+](C)Cc1cccc(NC(=O)[C@H]2CC[NH2+]C2)c1 ZINC000062113542 385157036 /nfs/dbraw/zinc/15/70/36/385157036.db2.gz VPSZJUSUQTZCIY-LBPRGKRZSA-N 2 0 247.342 1.296 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN(C1CC1)C1CC[NH2+]CC1 ZINC000647482562 385208676 /nfs/dbraw/zinc/20/86/76/385208676.db2.gz POVYXBXQRDDKNO-GFCCVEGCSA-N 2 0 239.407 1.576 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@@H]1CCC[NH+]1C ZINC000252712654 385211777 /nfs/dbraw/zinc/21/17/77/385211777.db2.gz MZQCBTLRXTZREW-FRRDWIJNSA-N 2 0 225.380 1.010 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)[C@H]1CCOC1 ZINC000252712530 385212558 /nfs/dbraw/zinc/21/25/58/385212558.db2.gz MRENFTPBBKJRQZ-MROQNXINSA-N 2 0 226.364 1.484 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)NCCC[NH+](CC)CC ZINC000037621299 385232310 /nfs/dbraw/zinc/23/23/10/385232310.db2.gz HGAYAKBRTNPRGR-CYBMUJFWSA-N 2 0 243.395 1.352 20 0 BDADRP CC[N@H+](CCN1CC[NH2+]CC1)C1CCCCC1 ZINC000037632017 385236262 /nfs/dbraw/zinc/23/62/62/385236262.db2.gz NQSWPZCUTPPXIW-UHFFFAOYSA-N 2 0 239.407 1.546 20 0 BDADRP COCC[C@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC000045044548 385239567 /nfs/dbraw/zinc/23/95/67/385239567.db2.gz RRJQICLALHRMHF-JTQLQIEISA-N 2 0 200.326 1.082 20 0 BDADRP Cc1cnn(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000336691729 385251238 /nfs/dbraw/zinc/25/12/38/385251238.db2.gz HEGRMUVDNYNBSV-CHWSQXEVSA-N 2 0 236.363 1.121 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000252711246 385204988 /nfs/dbraw/zinc/20/49/88/385204988.db2.gz IYRVQPZFDDFCSY-IJLUTSLNSA-N 2 0 214.353 1.341 20 0 BDADRP CO[C@H](C)CC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000308962108 385314737 /nfs/dbraw/zinc/31/47/37/385314737.db2.gz ZZQAFPWNJXECMF-UTUOFQBUSA-N 2 0 214.353 1.519 20 0 BDADRP COC[C@H]([NH2+]C[C@H](C)C[NH+](C)C)C1CC1 ZINC000308902992 385273805 /nfs/dbraw/zinc/27/38/05/385273805.db2.gz KQPVYRUOAKCURK-JQWIXIFHSA-N 2 0 214.353 1.199 20 0 BDADRP Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)nc1 ZINC000228061593 385323587 /nfs/dbraw/zinc/32/35/87/385323587.db2.gz DBSWSTIUFVOFMN-VXGBXAGGSA-N 2 0 219.332 1.559 20 0 BDADRP CCOC[C@@H]1CCC[N@H+](CCC[NH3+])C1 ZINC000409425674 385333280 /nfs/dbraw/zinc/33/32/80/385333280.db2.gz GLNVIOLIMUBKJY-LLVKDONJSA-N 2 0 200.326 1.084 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCCN1C)C1CC[NH+](C)CC1 ZINC000154647919 385344859 /nfs/dbraw/zinc/34/48/59/385344859.db2.gz FEOZJDKLGFAQGH-OCCSQVGLSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCCCCO)CC[N@@H+]1C ZINC000158101008 385346753 /nfs/dbraw/zinc/34/67/53/385346753.db2.gz BUQQEEWUMNJXES-VXGBXAGGSA-N 2 0 214.353 1.221 20 0 BDADRP Cc1ccc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)nc1 ZINC000228150717 385349185 /nfs/dbraw/zinc/34/91/85/385349185.db2.gz BBFMODDXZNQUIC-NWDGAFQWSA-N 2 0 219.332 1.559 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cccnc1 ZINC000309025428 385367517 /nfs/dbraw/zinc/36/75/17/385367517.db2.gz XQCNOGOCJDYRTJ-NSHDSACASA-N 2 0 207.321 1.689 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCOC(F)(F)F)CC[N@@H+]1C ZINC000158226197 385370410 /nfs/dbraw/zinc/37/04/10/385370410.db2.gz YZMAXNISVMVEHE-IUCAKERBSA-N 2 0 240.269 1.595 20 0 BDADRP CC(C)(O)C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000168539239 385374199 /nfs/dbraw/zinc/37/41/99/385374199.db2.gz PRKUZNSJTNZYMP-UHFFFAOYSA-N 2 0 226.364 1.221 20 0 BDADRP CC1(C)[C@H]([NH2+]CCOCc2ccccc2)C[C@@H]1[NH3+] ZINC000405237793 385391351 /nfs/dbraw/zinc/39/13/51/385391351.db2.gz URADVVMSVBHESR-UONOGXRCSA-N 2 0 248.370 1.919 20 0 BDADRP C=Cn1cc(CN(C)C[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000193723041 385409014 /nfs/dbraw/zinc/40/90/14/385409014.db2.gz HPPNKDJJJOMHAN-CYBMUJFWSA-N 2 0 248.374 1.757 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@H]2[NH2+]CC2(C)C)cc1 ZINC000644072848 385420398 /nfs/dbraw/zinc/42/03/98/385420398.db2.gz KCFJNPHOBMKFAM-BXKDBHETSA-N 2 0 247.342 1.643 20 0 BDADRP CO[C@H](C)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000182187420 385433208 /nfs/dbraw/zinc/43/32/08/385433208.db2.gz ZXSAYAPZPNXNSJ-VXGBXAGGSA-N 2 0 214.353 1.295 20 0 BDADRP CC(C)CCOCC[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000405315201 385483080 /nfs/dbraw/zinc/48/30/80/385483080.db2.gz OYJSJGZANMMTTF-NEPJUHHUSA-N 2 0 228.380 1.765 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCc2ccncc2)CC[N@@H+]1C ZINC000156642213 385461900 /nfs/dbraw/zinc/46/19/00/385461900.db2.gz QQEQQSXKUOYMDS-TZMCWYRMSA-N 2 0 233.359 1.696 20 0 BDADRP COCCCC[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000405336716 385501283 /nfs/dbraw/zinc/50/12/83/385501283.db2.gz ZUAIBRUTYLGHGB-UWVGGRQHSA-N 2 0 200.326 1.128 20 0 BDADRP C[C@H]1CN(c2cc(NC3CC3)ncn2)CC[C@H]1[NH3+] ZINC000643009776 385506657 /nfs/dbraw/zinc/50/66/57/385506657.db2.gz KSFHHRXFJDFMSQ-GXSJLCMTSA-N 2 0 247.346 1.224 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CCN(C)C1CCCC1 ZINC000309297736 385516253 /nfs/dbraw/zinc/51/62/53/385516253.db2.gz XLOBXOBQGWDTGI-GFCCVEGCSA-N 2 0 227.396 1.578 20 0 BDADRP c1cn2c(n1)C[C@@H]([NH2+]C[C@@H]1CCSC1)CC2 ZINC000309337592 385538816 /nfs/dbraw/zinc/53/88/16/385538816.db2.gz AXQGLEXKCOQEGC-QWRGUYRKSA-N 2 0 237.372 1.541 20 0 BDADRP Cc1cc(N2CC[C@H]3CC[NH2+][C@@H]3C2)cc[nH+]1 ZINC000643031069 385527447 /nfs/dbraw/zinc/52/74/47/385527447.db2.gz GLQCBGKBNORSIB-DGCLKSJQSA-N 2 0 217.316 1.578 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+][C@@H](C)CCCC[NH3+])C1(C)C ZINC000309378313 385557495 /nfs/dbraw/zinc/55/74/95/385557495.db2.gz QOWZSHGHFWLKBY-SDDRHHMPSA-N 2 0 228.380 1.907 20 0 BDADRP CN(C[C@@H](O)C[N@H+](C)CCC1CC1)C1CC1 ZINC000309465119 385595708 /nfs/dbraw/zinc/59/57/08/385595708.db2.gz SNRGICZWQKWIBL-ZDUSSCGKSA-N 2 0 226.364 1.173 20 0 BDADRP CCN(CC)CC[NH2+][C@H](C)CCCC[NH3+] ZINC000336676694 385603790 /nfs/dbraw/zinc/60/37/90/385603790.db2.gz HUERCNRIXIBMCU-GFCCVEGCSA-N 2 0 215.385 1.435 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CC(C)(C)COC ZINC000309455672 385588698 /nfs/dbraw/zinc/58/86/98/385588698.db2.gz QUICVAKHULREEK-LLVKDONJSA-N 2 0 232.368 1.003 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CC(=O)NC(C)(C)C ZINC000336648704 385589321 /nfs/dbraw/zinc/58/93/21/385589321.db2.gz GIJBYXBCRUATAK-SNVBAGLBSA-N 2 0 229.368 1.008 20 0 BDADRP Cc1cnccc1NC(=O)NCC[NH+](C)C ZINC000181645234 385590006 /nfs/dbraw/zinc/59/00/06/385590006.db2.gz AIEXNTUNWVLCPL-UHFFFAOYSA-N 2 0 222.292 1.073 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCN2CCCC[C@H]12 ZINC000309459427 385590361 /nfs/dbraw/zinc/59/03/61/385590361.db2.gz RLVHBXXXSOYWAR-FRRDWIJNSA-N 3 0 225.380 1.330 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCSC1)[C@@H]1CCC[NH2+]C1 ZINC000414849101 385617795 /nfs/dbraw/zinc/61/77/95/385617795.db2.gz HDDLHIHCJWVYKQ-QJPTWQEYSA-N 2 0 228.405 1.860 20 0 BDADRP C(N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000414849486 385622130 /nfs/dbraw/zinc/62/21/30/385622130.db2.gz RIHZYAPFFZASKR-IGQOVBAYSA-N 2 0 237.391 1.249 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCCOC1 ZINC000336681020 385631742 /nfs/dbraw/zinc/63/17/42/385631742.db2.gz HFAFSBDXZMVRMR-MNOVXSKESA-N 2 0 200.326 1.273 20 0 BDADRP COCC1([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647791735 385669491 /nfs/dbraw/zinc/66/94/91/385669491.db2.gz LLSYSJCOVDETPF-SDDRHHMPSA-N 2 0 224.348 1.143 20 0 BDADRP Cc1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)ncn1 ZINC000647793774 385728907 /nfs/dbraw/zinc/72/89/07/385728907.db2.gz HXRKPLKLJQOFMJ-JHJVBQTASA-N 2 0 246.358 1.263 20 0 BDADRP C[N@H+](CCCn1ccnc1)[C@@H]1CCSC1 ZINC000183065615 385735323 /nfs/dbraw/zinc/73/53/23/385735323.db2.gz OTLWFEIYLLXAEB-LLVKDONJSA-N 2 0 225.361 1.711 20 0 BDADRP C[NH2+]CCC[NH2+]C[C@@H](C)CC1CCOCC1 ZINC000414859779 385739345 /nfs/dbraw/zinc/73/93/45/385739345.db2.gz NSZCNFUVNRKEOV-LBPRGKRZSA-N 2 0 228.380 1.638 20 0 BDADRP C[NH2+]CCC[NH2+][C@H](C)Cc1ccccc1OC ZINC000414861064 385744959 /nfs/dbraw/zinc/74/49/59/385744959.db2.gz RIVDWOOXDIDZKD-GFCCVEGCSA-N 2 0 236.359 1.825 20 0 BDADRP C[C@]1(CNCC2([NH3+])CCCCCC2)CC[NH2+]C1 ZINC000414861680 385751551 /nfs/dbraw/zinc/75/15/51/385751551.db2.gz SVAZJJZMRKORLS-ZDUSSCGKSA-N 2 0 239.407 1.627 20 0 BDADRP CC[C@@H]1C[C@@H](C[NH2+]CCC[NH2+]C)CCO1 ZINC000414861650 385751901 /nfs/dbraw/zinc/75/19/01/385751901.db2.gz SPXBEOQWERFWER-NWDGAFQWSA-N 2 0 214.353 1.391 20 0 BDADRP CCC[NH2+]CCNC1CC[NH+](C(C)C)CC1 ZINC000414863414 385759480 /nfs/dbraw/zinc/75/94/80/385759480.db2.gz BNZCLJMKBCSPLL-UHFFFAOYSA-N 2 0 227.396 1.448 20 0 BDADRP CCN(CC[NH2+][C@H](C)CCC[NH3+])C1CC1 ZINC000336655828 385764773 /nfs/dbraw/zinc/76/47/73/385764773.db2.gz ABGQRYVPXDYMLN-LLVKDONJSA-N 2 0 213.369 1.188 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccn(C)n1 ZINC000647799763 385802081 /nfs/dbraw/zinc/80/20/81/385802081.db2.gz QDFCBAAQPXBKOB-WUHRBBMRSA-N 2 0 248.374 1.459 20 0 BDADRP C1CC12C[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647799757 385803595 /nfs/dbraw/zinc/80/35/95/385803595.db2.gz QAPFBKGPYJKPJE-KXNHARMFSA-N 2 0 206.333 1.517 20 0 BDADRP CC(C)CC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000521426619 385814205 /nfs/dbraw/zinc/81/42/05/385814205.db2.gz JOMMKFXASQDQEJ-MCIONIFRSA-N 2 0 242.407 1.856 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000414950899 385819683 /nfs/dbraw/zinc/81/96/83/385819683.db2.gz PEARLJAUWGVNME-SYQHCUMBSA-N 2 0 240.391 1.920 20 0 BDADRP CC[NH2+][C@H](C)CNC1CC[NH+](CC)CC1 ZINC000414951207 385827725 /nfs/dbraw/zinc/82/77/25/385827725.db2.gz HGMYDXUEAHMGFK-LLVKDONJSA-N 2 0 213.369 1.058 20 0 BDADRP Cc1noc(C)c1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000337928631 385827938 /nfs/dbraw/zinc/82/79/38/385827938.db2.gz RDPZURAOXHKEBH-GFCCVEGCSA-N 2 0 237.347 1.913 20 0 BDADRP Nc1ccc(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000262536197 385857868 /nfs/dbraw/zinc/85/78/68/385857868.db2.gz BASIZRPMWXHPNI-RKDXNWHRSA-N 2 0 234.303 1.120 20 0 BDADRP CCC1(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)CCOCC1 ZINC000414954099 385834151 /nfs/dbraw/zinc/83/41/51/385834151.db2.gz SFDOTRAKNBOMHH-STQMWFEESA-N 2 0 240.391 1.923 20 0 BDADRP CCC1(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)CCOCC1 ZINC000414954097 385834812 /nfs/dbraw/zinc/83/48/12/385834812.db2.gz SFDOTRAKNBOMHH-QWHCGFSZSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]1C[C@H](NC2CC[NH+](C)CC2)C[N@@H+]1C1CC1 ZINC000128576009 385835031 /nfs/dbraw/zinc/83/50/31/385835031.db2.gz YPVXAYLRRFTJQM-YPMHNXCESA-N 2 0 237.391 1.295 20 0 BDADRP CCCC[N@H+](C)CCNC(=O)C[NH+](C)C(C)C ZINC000112310182 385839647 /nfs/dbraw/zinc/83/96/47/385839647.db2.gz HCDJZPXXJXULDS-UHFFFAOYSA-N 2 0 243.395 1.175 20 0 BDADRP C[NH+](C)C[C@@H]1CN(CCC(C)(C)C)CCO1 ZINC000112697949 385843560 /nfs/dbraw/zinc/84/35/60/385843560.db2.gz GIXMMNQAFMJXAK-GFCCVEGCSA-N 2 0 228.380 1.685 20 0 BDADRP CC(C)[NH2+]CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647799195 385796733 /nfs/dbraw/zinc/79/67/33/385796733.db2.gz AIZDIJSYFWTCNP-HZSPNIEDSA-N 3 0 239.407 1.352 20 0 BDADRP C[C@H]1[NH2+]CCC[C@@H]1NCc1ccccc1N(C)C ZINC000414961766 385887848 /nfs/dbraw/zinc/88/78/48/385887848.db2.gz WDLQTLSSGDMEMJ-OCCSQVGLSA-N 2 0 247.386 1.983 20 0 BDADRP COC[C@@]1(C[NH2+][C@@H](C)C2CCC2)CCC[NH2+]1 ZINC000414962400 385891286 /nfs/dbraw/zinc/89/12/86/385891286.db2.gz WBCDHRZYYSKBCY-AAEUAGOBSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H](CC(N)=O)[NH2+]CCCCC[NH+]1CCCC1 ZINC000340479865 385892121 /nfs/dbraw/zinc/89/21/21/385892121.db2.gz NHLSTCKRIHPSJP-GFCCVEGCSA-N 2 0 241.379 1.106 20 0 BDADRP C[NH2+]Cc1cccc(N[C@H]2CCC[NH2+]C2)c1 ZINC000414875387 385893739 /nfs/dbraw/zinc/89/37/39/385893739.db2.gz ZSUXKUSQTNGYNC-ZDUSSCGKSA-N 2 0 219.332 1.570 20 0 BDADRP CC[NH2+][C@H](C)CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000414962854 385896096 /nfs/dbraw/zinc/89/60/96/385896096.db2.gz SNMBDFCOBWSXHE-ZOBORPQBSA-N 2 0 239.407 1.495 20 0 BDADRP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@H]1CCCCO1 ZINC000308880163 385902519 /nfs/dbraw/zinc/90/25/19/385902519.db2.gz VLCJCVCNJPKBNV-VXGBXAGGSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)Cc1ccccc1F ZINC000414876600 385908496 /nfs/dbraw/zinc/90/84/96/385908496.db2.gz LTUDCHJYNZLMRB-QWRGUYRKSA-N 2 0 224.323 1.941 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414964713 385909682 /nfs/dbraw/zinc/90/96/82/385909682.db2.gz MRZAFJYGDSKQNT-MGPQQGTHSA-N 3 0 239.407 1.639 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CCn2ccnc2C1 ZINC000336767939 385918638 /nfs/dbraw/zinc/91/86/38/385918638.db2.gz QFQMEBOHXPNBLA-GMTAPVOTSA-N 2 0 223.320 1.211 20 0 BDADRP COC(=O)C(C)(C)CC[NH2+]CC1([NH3+])CCC1 ZINC000414877384 385921322 /nfs/dbraw/zinc/92/13/22/385921322.db2.gz MUHSBIGPYFOHSQ-UHFFFAOYSA-N 2 0 228.336 1.047 20 0 BDADRP CCC[NH2+]CCN[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000414871760 385859811 /nfs/dbraw/zinc/85/98/11/385859811.db2.gz OLAWCXQWWRGZAF-OLZOCXBDSA-N 2 0 227.396 1.306 20 0 BDADRP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H](C)C[NH3+])CC2 ZINC000414873672 385878211 /nfs/dbraw/zinc/87/82/11/385878211.db2.gz HSPSCQZOVMTXCT-BXUZGUMPSA-N 2 0 248.370 1.737 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@@H]2CC[C@@H](F)C2)CC1 ZINC000335017823 385976295 /nfs/dbraw/zinc/97/62/95/385976295.db2.gz NTQJOVWTCFZOLA-RUJICJSRSA-N 2 0 214.328 1.984 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2O)[C@H]2CCC[C@H]21 ZINC000414128214 385976785 /nfs/dbraw/zinc/97/67/85/385976785.db2.gz RUFCAFJZHJSFOI-XVIXHAIJSA-N 2 0 238.375 1.362 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000295141165 385977867 /nfs/dbraw/zinc/97/78/67/385977867.db2.gz PXUJHNWISADJMU-NWDGAFQWSA-N 2 0 247.342 1.601 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[NH2+]C[C@H]2C)cc1 ZINC000335020735 385980212 /nfs/dbraw/zinc/98/02/12/385980212.db2.gz PGXYVPTULUEKIJ-GHMZBOCLSA-N 2 0 247.342 1.140 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](OC)C2CC2)C1 ZINC000425417307 385992701 /nfs/dbraw/zinc/99/27/01/385992701.db2.gz HKGOQSWKQQNBCI-OCCSQVGLSA-N 2 0 240.391 1.685 20 0 BDADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000335039232 385931160 /nfs/dbraw/zinc/93/11/60/385931160.db2.gz AZTOYETYAUMFFJ-KBPBESRZSA-N 3 0 237.391 1.498 20 0 BDADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000335039234 385931782 /nfs/dbraw/zinc/93/17/82/385931782.db2.gz AZTOYETYAUMFFJ-UONOGXRCSA-N 3 0 237.391 1.498 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCOCC3CC3)C[C@H]21 ZINC000342088595 385937161 /nfs/dbraw/zinc/93/71/61/385937161.db2.gz ADRCXNCNJJPVPY-BFHYXJOUSA-N 2 0 238.375 1.472 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+]CC[C@H]1CCOC1 ZINC000414967503 385947555 /nfs/dbraw/zinc/94/75/55/385947555.db2.gz XKKYVTLCQAKNHQ-MNOVXSKESA-N 2 0 200.326 1.001 20 0 BDADRP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)[C@H]1C[C@H]1C ZINC000414080234 385949491 /nfs/dbraw/zinc/94/94/91/385949491.db2.gz UKFJPBBVKKJJGD-RFGFWPKPSA-N 2 0 240.391 1.467 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414973501 385993622 /nfs/dbraw/zinc/99/36/22/385993622.db2.gz ZTQLZTJKFKWQIM-CHWSQXEVSA-N 3 0 227.396 1.482 20 0 BDADRP Cc1cccc(C)c1C[NH2+]C[C@H](C)C[NH3+] ZINC000414879858 385951071 /nfs/dbraw/zinc/95/10/71/385951071.db2.gz PZIWNXVVRIISAH-SNVBAGLBSA-N 2 0 206.333 1.988 20 0 BDADRP COCC[C@H](C)[NH2+][C@H]1CCCN(C)[C@@H]1C ZINC000336768459 385958532 /nfs/dbraw/zinc/95/85/32/385958532.db2.gz UFXCBJVVHBMGNU-TUAOUCFPSA-N 2 0 214.353 1.484 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)O1 ZINC000309256105 385998328 /nfs/dbraw/zinc/99/83/28/385998328.db2.gz GKCQIWUERKJXDV-LPWJVIDDSA-N 2 0 224.348 1.238 20 0 BDADRP COc1ncc(C[NH2+]CCCC[NH+](C)C)s1 ZINC000309265064 385999890 /nfs/dbraw/zinc/99/98/90/385999890.db2.gz COOFIDXRCGYBAF-UHFFFAOYSA-N 2 0 243.376 1.583 20 0 BDADRP CC[C@H]([NH3+])C[NH2+]C[C@H]1CCO[C@H](CC)C1 ZINC000414973292 386003131 /nfs/dbraw/zinc/00/31/31/386003131.db2.gz CBYBNZDGPFZSJZ-SDDRHHMPSA-N 2 0 214.353 1.519 20 0 BDADRP CC[C@H]([NH3+])C[NH2+]C[C@H]1CCO[C@@H](CC)C1 ZINC000414973294 386003180 /nfs/dbraw/zinc/00/31/80/386003180.db2.gz CBYBNZDGPFZSJZ-SRVKXCTJSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@H](C[NH2+][C@H]1CC[NH2+]C1)CC1CCOCC1 ZINC000414882391 386012380 /nfs/dbraw/zinc/01/23/80/386012380.db2.gz MHZCKWUBPSYYSR-AAEUAGOBSA-N 2 0 226.364 1.391 20 0 BDADRP CCCC[C@H](COC)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414882581 386017429 /nfs/dbraw/zinc/01/74/29/386017429.db2.gz BXOWSJFZLRDPKT-VXGBXAGGSA-N 2 0 214.353 1.519 20 0 BDADRP CC(C)[C@@](C)(CN)[NH2+]CCCC1CC[NH2+]CC1 ZINC000647869520 386019406 /nfs/dbraw/zinc/01/94/06/386019406.db2.gz LFOWPBPRQNZNLZ-CQSZACIVSA-N 2 0 241.423 1.729 20 0 BDADRP COC1(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCCC1 ZINC000309637898 386020349 /nfs/dbraw/zinc/02/03/49/386020349.db2.gz JXEZGKXPLVODAA-TXEJJXNPSA-N 2 0 224.348 1.097 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000345160842 386020928 /nfs/dbraw/zinc/02/09/28/386020928.db2.gz QDUPLACHYUQKOW-RDBSUJKOSA-N 2 0 242.407 1.857 20 0 BDADRP Cc1n[nH]c(C)c1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414976753 386025798 /nfs/dbraw/zinc/02/57/98/386025798.db2.gz QENKPBXRSFWXGL-LBPRGKRZSA-N 2 0 236.363 1.648 20 0 BDADRP CC[C@@H]([NH3+])CNCc1cnn(C(C)C)c1 ZINC000414977044 386029980 /nfs/dbraw/zinc/02/99/80/386029980.db2.gz JMNKNTKXQCALFM-LLVKDONJSA-N 2 0 210.325 1.291 20 0 BDADRP CCOC[C@H](C)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414979141 386052166 /nfs/dbraw/zinc/05/21/66/386052166.db2.gz VCGOKWHTUZMJQY-RYUDHWBXSA-N 2 0 214.353 1.533 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000414148306 385996577 /nfs/dbraw/zinc/99/65/77/385996577.db2.gz RWAXPOQXPYSROJ-XHJNMGKDSA-N 2 0 240.391 1.872 20 0 BDADRP Cc1cc(CN(C)CC[C@@H]([NH3+])C(C)C)nn1C ZINC000414664818 386108221 /nfs/dbraw/zinc/10/82/21/386108221.db2.gz UCNZQCVYSAMRJQ-CYBMUJFWSA-N 2 0 238.379 1.534 20 0 BDADRP CC[N@H+](C)[C@H](C(=O)N[C@H](C)C[NH3+])c1ccccc1 ZINC000274460346 386109105 /nfs/dbraw/zinc/10/91/05/386109105.db2.gz VBVBOJGAEATARM-YPMHNXCESA-N 2 0 249.358 1.143 20 0 BDADRP CC(C)C[C@H]([NH3+])CN(C)CC(C)(C)C[NH3+] ZINC000414666260 386110140 /nfs/dbraw/zinc/11/01/40/386110140.db2.gz WNNHDKVGEZDZQL-NSHDSACASA-N 2 0 215.385 1.277 20 0 BDADRP COCC[C@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000414209259 386062670 /nfs/dbraw/zinc/06/26/70/386062670.db2.gz SJFDNYQYLJWHRS-REWJHTLYSA-N 2 0 242.407 1.977 20 0 BDADRP CSC[C@H](O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365404930 386079713 /nfs/dbraw/zinc/07/97/13/386079713.db2.gz RLQJCHUSQOKUTO-NWDGAFQWSA-N 2 0 246.420 1.126 20 0 BDADRP C[C@@H](C[NH+](C)C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC000286893598 386081495 /nfs/dbraw/zinc/08/14/95/386081495.db2.gz GKBOSRCXIYYCIT-JTQLQIEISA-N 2 0 246.314 1.014 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)C1CCOCC1 ZINC000336738499 386086032 /nfs/dbraw/zinc/08/60/32/386086032.db2.gz KGHHJQLNRIHQPB-NEPJUHHUSA-N 2 0 228.380 1.731 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000414663381 386096975 /nfs/dbraw/zinc/09/69/75/386096975.db2.gz RKNOUODISAHTCG-SRVKXCTJSA-N 2 0 213.369 1.029 20 0 BDADRP CC[C@@H]([NH3+])CNCc1cc(-c2ccccc2)n[nH]1 ZINC000414987913 386123334 /nfs/dbraw/zinc/12/33/34/386123334.db2.gz ZKZUJRNLERTKKO-GFCCVEGCSA-N 2 0 244.342 1.904 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CC[NH2+]C1 ZINC000414893212 386150839 /nfs/dbraw/zinc/15/08/39/386150839.db2.gz YSQLWJCGNZOSCU-AGIUHOORSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](CO)C2)CC[NH2+]1 ZINC000414677510 386156619 /nfs/dbraw/zinc/15/66/19/386156619.db2.gz WOFVIKMVOFRFBK-JHJVBQTASA-N 2 0 226.364 1.079 20 0 BDADRP C[C@H](CC[NH3+])[NH2+]Cc1c[nH]nc1C(C)(C)C ZINC000414893147 386156717 /nfs/dbraw/zinc/15/67/17/386156717.db2.gz XXGDWVUWGLIRQE-SECBINFHSA-N 2 0 224.352 1.534 20 0 BDADRP CC(C)C[C@H]([NH3+])C[N@H+](CCO)C1CCCC1 ZINC000414679478 386161999 /nfs/dbraw/zinc/16/19/99/386161999.db2.gz ZXBJJZQEEKYIOR-LBPRGKRZSA-N 2 0 228.380 1.597 20 0 BDADRP CCC[N@H+](CCO)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414681683 386165327 /nfs/dbraw/zinc/16/53/27/386165327.db2.gz PRWYYGXEDWZNTH-NWDGAFQWSA-N 2 0 214.353 1.079 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+](CCCCO)C2CC2)CC[NH2+]1 ZINC000414687252 386170589 /nfs/dbraw/zinc/17/05/89/386170589.db2.gz BYENULWURVXEGC-CHWSQXEVSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414994381 386171360 /nfs/dbraw/zinc/17/13/60/386171360.db2.gz DIRXHHUPWIZOSV-JHJVBQTASA-N 2 0 236.363 1.379 20 0 BDADRP Cc1nn(C)cc1C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414995806 386178714 /nfs/dbraw/zinc/17/87/14/386178714.db2.gz NXOKVBYOGQAQTB-YPMHNXCESA-N 2 0 236.363 1.336 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)CC[NH2+]1 ZINC000414690638 386185690 /nfs/dbraw/zinc/18/56/90/386185690.db2.gz HXCQMDMVCHNOOU-RDBSUJKOSA-N 2 0 239.407 1.258 20 0 BDADRP CC[NH+](CC)CCCN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000365509194 386139706 /nfs/dbraw/zinc/13/97/06/386139706.db2.gz IWCOMTORSCGIQZ-OKILXGFUSA-N 2 0 239.407 1.212 20 0 BDADRP C[C@H]1CN(c2ccnc(N(C)C)n2)C[C@H](C)[NH+]1C ZINC000338783933 386140084 /nfs/dbraw/zinc/14/00/84/386140084.db2.gz IKXWDPUEOMPHAJ-QWRGUYRKSA-N 2 0 249.362 1.071 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)CCC(C)(C)[NH3+] ZINC000647874470 386141634 /nfs/dbraw/zinc/14/16/34/386141634.db2.gz YUIQWVGORMOYDB-SNVBAGLBSA-N 2 0 229.368 1.138 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000414990110 386143072 /nfs/dbraw/zinc/14/30/72/386143072.db2.gz OSENLSHZAYMIJR-CQSZACIVSA-N 2 0 248.370 1.881 20 0 BDADRP CC(C)[N@H+](C[C@H](C)O)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414702898 386210038 /nfs/dbraw/zinc/21/00/38/386210038.db2.gz VLDSVXYJOGXELS-FRRDWIJNSA-N 2 0 228.380 1.466 20 0 BDADRP [NH3+]CCC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000414704585 386213944 /nfs/dbraw/zinc/21/39/44/386213944.db2.gz WFHJOHYVJGDMQY-LBPRGKRZSA-N 2 0 248.326 1.901 20 0 BDADRP [NH3+][C@H]1C[C@H](NCCn2ccnc2)c2ccccc21 ZINC000132045428 386219225 /nfs/dbraw/zinc/21/92/25/386219225.db2.gz RXJQXGXXNHKQFH-KBPBESRZSA-N 3 0 242.326 1.618 20 0 BDADRP CCC[N@H+](CCC[NH3+])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000414706024 386220048 /nfs/dbraw/zinc/22/00/48/386220048.db2.gz OFTDSZWOFVUFQU-XQQFMLRXSA-N 2 0 240.391 1.861 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000347112725 386232573 /nfs/dbraw/zinc/23/25/73/386232573.db2.gz RRAKFUFSLRCTLW-LBPRGKRZSA-N 2 0 244.342 1.604 20 0 BDADRP COC(=O)CC1([NH2+]C[C@@H]([NH3+])CC(C)C)CCC1 ZINC000414717499 386244097 /nfs/dbraw/zinc/24/40/97/386244097.db2.gz ZPHJLDMVAOXLIW-NSHDSACASA-N 2 0 242.363 1.435 20 0 BDADRP COCC[N@H+](C[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000647883385 386245523 /nfs/dbraw/zinc/24/55/23/386245523.db2.gz MXRXNAUIUZFUEM-GFCCVEGCSA-N 2 0 226.364 1.487 20 0 BDADRP Cc1c(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cnn1C ZINC000415003272 386253753 /nfs/dbraw/zinc/25/37/53/386253753.db2.gz FQIYQEIOKWKQKT-UONOGXRCSA-N 2 0 248.374 1.206 20 0 BDADRP CCC1(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])COC1 ZINC000393959545 386258908 /nfs/dbraw/zinc/25/89/08/386258908.db2.gz BESVJSFVJQOXSD-VXGBXAGGSA-N 2 0 226.364 1.520 20 0 BDADRP CN(CC[NH2+]C(C)(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000414731217 386286077 /nfs/dbraw/zinc/28/60/77/386286077.db2.gz FMWODPKRTKNLOC-GFCCVEGCSA-N 2 0 227.396 1.448 20 0 BDADRP c1cncc([C@@H]2CCC[N@H+]2C[C@H]2CC[NH2+]C2)c1 ZINC000647988131 386292413 /nfs/dbraw/zinc/29/24/13/386292413.db2.gz SERWTXNALLLDCC-JSGCOSHPSA-N 2 0 231.343 1.828 20 0 BDADRP CN(C)[C@@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000091393701 386296285 /nfs/dbraw/zinc/29/62/85/386296285.db2.gz ZRHNBLGBOZTKMT-CQSZACIVSA-N 2 0 239.407 1.402 20 0 BDADRP CC[N@H+](CCCO)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414737725 386317108 /nfs/dbraw/zinc/31/71/08/386317108.db2.gz HPPKHCAIYBPMJJ-VXGBXAGGSA-N 2 0 214.353 1.079 20 0 BDADRP C([C@H]1CC[NH2+]C1)[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000647988757 386318449 /nfs/dbraw/zinc/31/84/49/386318449.db2.gz IGFJSTFNIFFJTI-GXTWGEPZSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)[C@@H](C)O1 ZINC000297539753 386264003 /nfs/dbraw/zinc/26/40/03/386264003.db2.gz OPJIUFYYDGHJMG-GYSYKLTISA-N 2 0 245.326 1.990 20 0 BDADRP COC1CCC([NH2+]C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000414900018 386265219 /nfs/dbraw/zinc/26/52/19/386265219.db2.gz CZACTXXIQAQAHZ-JXQTWKCFSA-N 2 0 240.391 1.923 20 0 BDADRP OCCC[N@H+](CCCC1CC[NH2+]CC1)C1CC1 ZINC000647885021 386271519 /nfs/dbraw/zinc/27/15/19/386271519.db2.gz YKJURHFBPRDRMK-UHFFFAOYSA-N 2 0 240.391 1.613 20 0 BDADRP C[C@@H]1CN(CCCC2CC[NH2+]CC2)[C@@H](C)C[NH2+]1 ZINC000647987570 386276667 /nfs/dbraw/zinc/27/66/67/386276667.db2.gz DMZVFFKTKQWHJH-OLZOCXBDSA-N 2 0 239.407 1.448 20 0 BDADRP CO[C@H](C)C[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000336682269 386341112 /nfs/dbraw/zinc/34/11/12/386341112.db2.gz JIZAJPNDZDJXSE-NEPJUHHUSA-N 2 0 214.353 1.437 20 0 BDADRP CC(C)(C)[NH2+]CCN1CC[C@H]([C@H]2CCOC2)C1 ZINC000414745670 386351289 /nfs/dbraw/zinc/35/12/89/386351289.db2.gz PUUUFCVNMDVRKM-STQMWFEESA-N 2 0 240.391 1.733 20 0 BDADRP c1cn(CC[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)cn1 ZINC000336687680 386351730 /nfs/dbraw/zinc/35/17/30/386351730.db2.gz AYSJSKFDRHFTLJ-KGLIPLIRSA-N 2 0 249.358 1.632 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414905086 386352841 /nfs/dbraw/zinc/35/28/41/386352841.db2.gz LDYPBXAAQLCJPO-CHWSQXEVSA-N 2 0 236.363 1.251 20 0 BDADRP Cc1cnc(CC[N@@H+](C)C[C@@H]2CC[NH2+]C2)s1 ZINC000647989708 386361692 /nfs/dbraw/zinc/36/16/92/386361692.db2.gz ZOCRDQVXEQPZLW-LLVKDONJSA-N 2 0 239.388 1.535 20 0 BDADRP Cc1cnc(CC[N@@H+](C)C[C@H]2CC[NH2+]C2)s1 ZINC000647989709 386362373 /nfs/dbraw/zinc/36/23/73/386362373.db2.gz ZOCRDQVXEQPZLW-NSHDSACASA-N 2 0 239.388 1.535 20 0 BDADRP C[C@]1(C[NH2+]C[C@@H]2CCCOC2)CCC[NH2+]C1 ZINC000414902898 386326940 /nfs/dbraw/zinc/32/69/40/386326940.db2.gz HVJDSVNONMEFHV-STQMWFEESA-N 2 0 226.364 1.392 20 0 BDADRP CCC[C@H]([NH3+])C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000236938664 386328037 /nfs/dbraw/zinc/32/80/37/386328037.db2.gz IWFKIMLDJZCUTD-LBPRGKRZSA-N 2 0 235.331 1.472 20 0 BDADRP COCC(C)(C)C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414902945 386328492 /nfs/dbraw/zinc/32/84/92/386328492.db2.gz IYFBHQIZTXSFQS-LLVKDONJSA-N 2 0 214.353 1.391 20 0 BDADRP Cc1c[nH]nc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000414742903 386329747 /nfs/dbraw/zinc/32/97/47/386329747.db2.gz UQKVXOMJVGDKIO-LLVKDONJSA-N 2 0 222.336 1.279 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)C(C)(C)C)C1 ZINC000336677914 386329780 /nfs/dbraw/zinc/32/97/80/386329780.db2.gz ACYQAHLJMIWIHS-QWHCGFSZSA-N 2 0 242.407 1.667 20 0 BDADRP Cc1ccc(-c2n[nH]cc2C[NH2+][C@H](C)CC[NH3+])o1 ZINC000414902539 386329967 /nfs/dbraw/zinc/32/99/67/386329967.db2.gz YOXKJPTVIUIZAX-SECBINFHSA-N 2 0 248.330 1.805 20 0 BDADRP CC(C)[C@H](O)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000336684010 386331637 /nfs/dbraw/zinc/33/16/37/386331637.db2.gz CPCPPGLJZLPUEB-CQSZACIVSA-N 2 0 242.407 1.808 20 0 BDADRP C[C@H](O)CCC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000336681460 386336233 /nfs/dbraw/zinc/33/62/33/386336233.db2.gz DSBQANXYHWMJLU-UONOGXRCSA-N 2 0 242.407 1.954 20 0 BDADRP CC(C)(C)[NH2+]CCN1CC[C@](C)(C[NH3+])C1 ZINC000414743259 386336395 /nfs/dbraw/zinc/33/63/95/386336395.db2.gz UROOZYAVWYQSEF-GFCCVEGCSA-N 2 0 213.369 1.045 20 0 BDADRP CO[C@H](C)CC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000336754446 386438258 /nfs/dbraw/zinc/43/82/58/386438258.db2.gz HIBQMXHUHBQYMI-TUAOUCFPSA-N 2 0 214.353 1.484 20 0 BDADRP CC[C@H]1C[C@H](C[N@H+](C)C2CC([NH3+])C2)CCO1 ZINC000414768080 386442424 /nfs/dbraw/zinc/44/24/24/386442424.db2.gz HEWVPTLLSVDGHJ-XVSSEFHLSA-N 2 0 226.364 1.613 20 0 BDADRP C[NH+](C)CC1CC[NH+](CCn2ccnc2)CC1 ZINC000336716578 386443095 /nfs/dbraw/zinc/44/30/95/386443095.db2.gz VUIMCTLIFXXMJR-UHFFFAOYSA-N 2 0 236.363 1.157 20 0 BDADRP C[C@@H](CN1CCCCC1)[NH2+]C1CCC([NH3+])CC1 ZINC000094085792 386444209 /nfs/dbraw/zinc/44/42/09/386444209.db2.gz CABKESYKZONYMJ-HSBZDZAISA-N 2 0 239.407 1.720 20 0 BDADRP C([NH2+][C@H]1CCCC12CCOCC2)[C@@H]1CC[NH2+]C1 ZINC000647992572 386447857 /nfs/dbraw/zinc/44/78/57/386447857.db2.gz PKPXTYUURNKMRD-OLZOCXBDSA-N 2 0 238.375 1.535 20 0 BDADRP COC[C@H]([NH2+]CC1=CC[N@H+](C)CC1)C1CC1 ZINC000336775478 386388494 /nfs/dbraw/zinc/38/84/94/386388494.db2.gz ZEBSWOZAQZDGMW-ZDUSSCGKSA-N 2 0 224.348 1.263 20 0 BDADRP CCCN(CCC[NH3+])[C@H](CC)C(=O)OCC ZINC000414753601 386388627 /nfs/dbraw/zinc/38/86/27/386388627.db2.gz DYYLLIFNXJFLPU-LLVKDONJSA-N 2 0 230.352 1.389 20 0 BDADRP COc1cccc(C[C@@H](C)[NH2+]CCCC[NH3+])n1 ZINC000414907669 386390091 /nfs/dbraw/zinc/39/00/91/386390091.db2.gz PUPSDYALDNDCAU-LLVKDONJSA-N 2 0 237.347 1.350 20 0 BDADRP C[C@H]1CC2(C[N@@H+]1C[C@@H]1CCOC1)CC[NH2+]CC2 ZINC000335280007 386394241 /nfs/dbraw/zinc/39/42/41/386394241.db2.gz QHMNPXVQUSLDQS-STQMWFEESA-N 2 0 238.375 1.487 20 0 BDADRP C[C@H]1C[C@H](C[N@H+]2C[C@H]3CCC[C@@H](C2)N3)CC[NH2+]1 ZINC000414754823 386395073 /nfs/dbraw/zinc/39/50/73/386395073.db2.gz SJGRTVBYHXQYCL-RFQIPJPRSA-N 2 0 237.391 1.201 20 0 BDADRP CCC[C@@]1(CO)CCC[N@@H+]1C[C@H]([NH3+])CC(C)C ZINC000414756515 386399762 /nfs/dbraw/zinc/39/97/62/386399762.db2.gz JXGDUYUMNZEIAX-KGLIPLIRSA-N 2 0 242.407 1.987 20 0 BDADRP Cc1ccc(CCC[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cn1 ZINC000339411219 386415034 /nfs/dbraw/zinc/41/50/34/386415034.db2.gz VYFLHTYLEAVAAC-WFASDCNBSA-N 2 0 247.386 1.992 20 0 BDADRP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414909365 386415799 /nfs/dbraw/zinc/41/57/99/386415799.db2.gz RPVYISCJKQVYBP-QWHCGFSZSA-N 3 0 239.407 1.496 20 0 BDADRP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]CCc1ccccn1 ZINC000093462305 386416458 /nfs/dbraw/zinc/41/64/58/386416458.db2.gz QKVNAHRSROSOSH-JSGCOSHPSA-N 2 0 233.359 1.744 20 0 BDADRP CCOC1CC([N@H+](C)CC[C@@H]2CCC[NH+]2C)C1 ZINC000347464520 386416562 /nfs/dbraw/zinc/41/65/62/386416562.db2.gz NXJGXSHWASLAPI-HSBZDZAISA-N 2 0 240.391 1.970 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000414762475 386426174 /nfs/dbraw/zinc/42/61/74/386426174.db2.gz BENXJXZFZOQXOF-FRRDWIJNSA-N 2 0 225.380 1.044 20 0 BDADRP C[C@H]1CCN(CC[NH2+]C(C)(C)C)[C@@H](C[NH3+])C1 ZINC000414766522 386435930 /nfs/dbraw/zinc/43/59/30/386435930.db2.gz HTFQTRWNRTVRPO-NWDGAFQWSA-N 2 0 227.396 1.434 20 0 BDADRP [NH3+]CC1(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000414775042 386472978 /nfs/dbraw/zinc/47/29/78/386472978.db2.gz GBARUHLFJMYRAF-STQMWFEESA-N 2 0 237.391 1.047 20 0 BDADRP CC[C@@H]1CN(CCC[NH+](CC)CC)CC[C@@H]1[NH3+] ZINC000647934963 386483182 /nfs/dbraw/zinc/48/31/82/386483182.db2.gz VSCYTGCFELANLY-KGLIPLIRSA-N 2 0 241.423 1.778 20 0 BDADRP COC[C@H](Cc1ccccc1)[NH2+]C1CC[NH2+]CC1 ZINC000414777691 386483980 /nfs/dbraw/zinc/48/39/80/386483980.db2.gz HFUUBUWNUKHCQE-HNNXBMFYSA-N 2 0 248.370 1.586 20 0 BDADRP Clc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)C2 ZINC000415042348 386529263 /nfs/dbraw/zinc/52/92/63/386529263.db2.gz SICHVLDWHBZBDD-IGQOVBAYSA-N 2 0 248.757 1.615 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000415013284 386495472 /nfs/dbraw/zinc/49/54/72/386495472.db2.gz KFBUXHJISWIHSQ-NSHDSACASA-N 2 0 249.358 1.393 20 0 BDADRP C[C@@H](C[NH2+]C1CC[NH2+]CC1)CC1CCOCC1 ZINC000414780430 386495467 /nfs/dbraw/zinc/49/54/67/386495467.db2.gz BBADUMMJVZOVDR-GFCCVEGCSA-N 2 0 240.391 1.781 20 0 BDADRP CC[N@H+](CCC[NH+]1CCCCC1)[C@@H](C)CO ZINC000339634120 386502412 /nfs/dbraw/zinc/50/24/12/386502412.db2.gz LSHYBUDKHZNDRS-ZDUSSCGKSA-N 2 0 228.380 1.565 20 0 BDADRP Cc1ncccc1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000415017554 386502535 /nfs/dbraw/zinc/50/25/35/386502535.db2.gz SJSVGALRKHCGHJ-NSHDSACASA-N 2 0 221.348 1.997 20 0 BDADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cccc3c[nH]nc32)C1 ZINC000415051838 386508087 /nfs/dbraw/zinc/50/80/87/386508087.db2.gz ZVAIBYOSWPAJOG-ZWNOBZJWSA-N 2 0 244.342 1.780 20 0 BDADRP c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)C2 ZINC000415021018 386510385 /nfs/dbraw/zinc/51/03/85/386510385.db2.gz BJRBGPNDDTXDRH-KBXIAJHMSA-N 2 0 228.339 1.351 20 0 BDADRP CC(=O)Nc1ccc(C[NH2+][C@@H](C)CCC[NH3+])cc1 ZINC000415021794 386510532 /nfs/dbraw/zinc/51/05/32/386510532.db2.gz KQWKPUBEYWXWSI-NSHDSACASA-N 2 0 249.358 1.862 20 0 BDADRP Cc1ccncc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000135498962 386514039 /nfs/dbraw/zinc/51/40/39/386514039.db2.gz DAVPUYUDSIRUAU-GFCCVEGCSA-N 2 0 219.332 1.561 20 0 BDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)CCCC[NH3+] ZINC000519641838 386514887 /nfs/dbraw/zinc/51/48/87/386514887.db2.gz HQXGBIGXFALMPK-LBPRGKRZSA-N 2 0 241.379 1.106 20 0 BDADRP C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415029789 386516040 /nfs/dbraw/zinc/51/60/40/386516040.db2.gz BOLVPACZDKSPKO-JHJVBQTASA-N 2 0 226.364 1.533 20 0 BDADRP COC(=O)C(C)(C)CC[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415029579 386516091 /nfs/dbraw/zinc/51/60/91/386516091.db2.gz DXLPANPHLITPAP-MNOVXSKESA-N 2 0 242.363 1.293 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(N(C)C)nc1 ZINC000415027100 386516291 /nfs/dbraw/zinc/51/62/91/386516291.db2.gz WACOQXVOXHKRFS-LLVKDONJSA-N 2 0 236.363 1.365 20 0 BDADRP COC(=O)C(C)(C)CC[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415029581 386516995 /nfs/dbraw/zinc/51/69/95/386516995.db2.gz DXLPANPHLITPAP-WDEREUQCSA-N 2 0 242.363 1.293 20 0 BDADRP COC[C@@H](CC(C)C)[NH2+][C@@H](C)CCC[NH3+] ZINC000415028006 386517456 /nfs/dbraw/zinc/51/74/56/386517456.db2.gz XRVVXXNRSNCAFR-NWDGAFQWSA-N 2 0 216.369 1.765 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C[C@@H](C)C1 ZINC000415030246 386518454 /nfs/dbraw/zinc/51/84/54/386518454.db2.gz CICWIYZEFQEMRK-ZOBORPQBSA-N 2 0 240.391 1.779 20 0 BDADRP C1CC1[C@@H]1CCC[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000415032019 386519620 /nfs/dbraw/zinc/51/96/20/386519620.db2.gz GYIQKMBPLKJSFE-BJJPWKGXSA-N 2 0 220.360 1.763 20 0 BDADRP C1CC1[C@H]1CCCC[C@@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415042969 386530354 /nfs/dbraw/zinc/53/03/54/386530354.db2.gz TWLHPCAYDZADDD-DGTMBMJNSA-N 2 0 220.360 1.763 20 0 BDADRP Cc1ccncc1C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415034171 386521158 /nfs/dbraw/zinc/52/11/58/386521158.db2.gz JOVJWJRIWRQLNG-AAEUAGOBSA-N 2 0 219.332 1.607 20 0 BDADRP COc1ccccc1C[C@@H](C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415036170 386521899 /nfs/dbraw/zinc/52/18/99/386521899.db2.gz LLFFFDOHMJOSKB-PBOSXPJTSA-N 2 0 246.354 1.434 20 0 BDADRP CCn1cc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cn1 ZINC000414786405 386524991 /nfs/dbraw/zinc/52/49/91/386524991.db2.gz BBEWUVXZWDZDSO-NWDGAFQWSA-N 2 0 222.336 1.120 20 0 BDADRP C[C@H](CCc1ccc(F)cc1)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415037671 386525187 /nfs/dbraw/zinc/52/51/87/386525187.db2.gz NAELLECIRUOMKD-RABLLNBGSA-N 2 0 248.345 1.954 20 0 BDADRP C[C@]1(C[NH2+]CC[C@@H]2CCOC2)CCC[NH2+]C1 ZINC000414917007 386525936 /nfs/dbraw/zinc/52/59/36/386525936.db2.gz QUAWTBPJHSORBC-OLZOCXBDSA-N 2 0 226.364 1.392 20 0 BDADRP C[C@]1(C[NH2+]CC[C@H]2CCOC2)CCC[NH2+]C1 ZINC000414917009 386525972 /nfs/dbraw/zinc/52/59/72/386525972.db2.gz QUAWTBPJHSORBC-STQMWFEESA-N 2 0 226.364 1.392 20 0 BDADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)C1CCC1 ZINC000414797190 386577173 /nfs/dbraw/zinc/57/71/73/386577173.db2.gz OSVNGAHKBPWOPG-GFCCVEGCSA-N 2 0 225.380 1.060 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]([NH3+])CC(C)C)[C@H]1CCCO1 ZINC000415076907 386577528 /nfs/dbraw/zinc/57/75/28/386577528.db2.gz GYFIPGPTJLYYMJ-RWMBFGLXSA-N 2 0 228.380 1.907 20 0 BDADRP C[C@H]1C[N@H+](C)C[C@@H]1NC1CC[NH+](C2CC2)CC1 ZINC000335412841 386577652 /nfs/dbraw/zinc/57/76/52/386577652.db2.gz NFRWELBJHANRSA-FZMZJTMJSA-N 2 0 237.391 1.153 20 0 BDADRP C[C@H]1C[N@H+](C)C[C@H]1NC1CC[NH+](C2CC2)CC1 ZINC000335412845 386578600 /nfs/dbraw/zinc/57/86/00/386578600.db2.gz NFRWELBJHANRSA-SMDDNHRTSA-N 2 0 237.391 1.153 20 0 BDADRP NC(=O)c1ccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000414798286 386583953 /nfs/dbraw/zinc/58/39/53/386583953.db2.gz QBTFJVIPLGVTBW-STQMWFEESA-N 2 0 247.342 1.003 20 0 BDADRP C[C@H]([NH2+]CCC[NH3+])c1cccc(-n2cccn2)c1 ZINC000415082400 386598502 /nfs/dbraw/zinc/59/85/02/386598502.db2.gz LYUBNYBFPWYITC-LBPRGKRZSA-N 2 0 244.342 1.872 20 0 BDADRP c1nc2ccccc2n1CC[NH2+]C1CC[NH2+]CC1 ZINC000415080102 386586347 /nfs/dbraw/zinc/58/63/47/386586347.db2.gz IUQUFMRAHJFXFP-UHFFFAOYSA-N 2 0 244.342 1.378 20 0 BDADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C[C@@H]1C[C@@H]1C ZINC000336781539 386590281 /nfs/dbraw/zinc/59/02/81/386590281.db2.gz UWTBKVMNMJXCDJ-RWMBFGLXSA-N 2 0 228.380 1.589 20 0 BDADRP CC(C)(C)[NH2+]CCN1CCCC[C@H]1CC[NH3+] ZINC000414801104 386591195 /nfs/dbraw/zinc/59/11/95/386591195.db2.gz ZLIBBYXYKUUZNO-LBPRGKRZSA-N 2 0 227.396 1.578 20 0 BDADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C[C@H]1C[C@@H]1C ZINC000336781540 386591586 /nfs/dbraw/zinc/59/15/86/386591586.db2.gz UWTBKVMNMJXCDJ-YNEHKIRRSA-N 2 0 228.380 1.589 20 0 BDADRP CN(C)c1ncc(CN[C@@H](C[NH3+])C2CC2)s1 ZINC000414803731 386598835 /nfs/dbraw/zinc/59/88/35/386598835.db2.gz NXWNVYLYOPTQNZ-JTQLQIEISA-N 2 0 240.376 1.036 20 0 BDADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccc3c[nH]nc3c2)C1 ZINC000415045924 386532082 /nfs/dbraw/zinc/53/20/82/386532082.db2.gz UQXGHLDUKGEOIE-MFKMUULPSA-N 2 0 244.342 1.780 20 0 BDADRP CCC1(C)CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000062954049 386536081 /nfs/dbraw/zinc/53/60/81/386536081.db2.gz XDFRUWUHZLRJTI-UHFFFAOYSA-N 2 0 239.407 1.404 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCCC1CCOCC1 ZINC000414790885 386536248 /nfs/dbraw/zinc/53/62/48/386536248.db2.gz AOYYUEJLCXEXPC-KGLIPLIRSA-N 2 0 240.391 1.910 20 0 BDADRP [NH3+]CCCN(CCC[NH3+])CC1CCCC1 ZINC000414789373 386536359 /nfs/dbraw/zinc/53/63/59/386536359.db2.gz OLBKQHMBWSVPJF-UHFFFAOYSA-N 2 0 213.369 1.176 20 0 BDADRP CC(C)(C)[NH2+]CCN[C@@H](C[NH3+])C(C)(C)C ZINC000415057331 386536632 /nfs/dbraw/zinc/53/66/32/386536632.db2.gz SCUBRBCEZBYOIP-JTQLQIEISA-N 2 0 215.385 1.338 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000414789553 386538565 /nfs/dbraw/zinc/53/85/65/386538565.db2.gz OJCQJWOHDFMHHK-RWMBFGLXSA-N 2 0 225.380 1.044 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CCC=C(C)C ZINC000397886663 386538713 /nfs/dbraw/zinc/53/87/13/386538713.db2.gz QDLPFNJAOZIBIK-GFCCVEGCSA-N 2 0 214.353 1.686 20 0 BDADRP C[N@H+](CC1CC[NH2+]CC1)CC1CC[NH+](C)CC1 ZINC000063120872 386538909 /nfs/dbraw/zinc/53/89/09/386538909.db2.gz OVSDWTGCAWAEFL-UHFFFAOYSA-N 3 0 239.407 1.260 20 0 BDADRP [NH3+]CCC[C@@H](N[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000415060684 386540307 /nfs/dbraw/zinc/54/03/07/386540307.db2.gz XHGGWWUEYKAFBE-ZIAGYGMSSA-N 3 0 233.359 1.418 20 0 BDADRP c1[nH]nc2c1cccc2C[NH2+]CCC[NH2+]C1CC1 ZINC000415063594 386545548 /nfs/dbraw/zinc/54/55/48/386545548.db2.gz AMTQWIMFDGNNQX-UHFFFAOYSA-N 2 0 244.342 1.795 20 0 BDADRP C[C@H](CCO)[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000332045855 386546281 /nfs/dbraw/zinc/54/62/81/386546281.db2.gz VDVCKBRDRMILMN-VWYCJHECSA-N 2 0 200.326 1.007 20 0 BDADRP CC[NH+](CC)CCCN[C@H]1C[N@H+](C)C[C@H]1C ZINC000336755830 386546672 /nfs/dbraw/zinc/54/66/72/386546672.db2.gz GNLGIAKQYNXRBD-OLZOCXBDSA-N 2 0 227.396 1.258 20 0 BDADRP CC[C@H](C[N@H+](C)C[C@@H](O)C[NH3+])c1ccccc1 ZINC000415067771 386546865 /nfs/dbraw/zinc/54/68/65/386546865.db2.gz LMKOASYGEAHEMI-OCCSQVGLSA-N 2 0 236.359 1.432 20 0 BDADRP c1ccc2c(c1)CC[C@@H]([NH2+]CC1C[NH2+]C1)CO2 ZINC000335463454 386547296 /nfs/dbraw/zinc/54/72/96/386547296.db2.gz UXVVFZHFHOLIQM-CYBMUJFWSA-N 2 0 232.327 1.189 20 0 BDADRP CC(C)(C)[NH2+]CCN[C@@H](C[NH3+])C1CCCC1 ZINC000415070741 386548709 /nfs/dbraw/zinc/54/87/09/386548709.db2.gz VKKJMUKLEKTNAG-LBPRGKRZSA-N 2 0 227.396 1.482 20 0 BDADRP C[C@H](Cc1ccccc1)C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000415068006 386550844 /nfs/dbraw/zinc/55/08/44/386550844.db2.gz LXWYNIGBTQBTJK-OCCSQVGLSA-N 2 0 236.359 1.117 20 0 BDADRP [NH3+]C[C@@H](NC[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000415068170 386551109 /nfs/dbraw/zinc/55/11/09/386551109.db2.gz QJFZOWQHACVOMP-WCQYABFASA-N 3 0 225.380 1.093 20 0 BDADRP CC(C)(C[NH2+][C@H]1CCCCC[C@H]1[NH3+])C(N)=O ZINC000332058571 386556086 /nfs/dbraw/zinc/55/60/86/386556086.db2.gz XYWBJVYADPOVPA-ZJUUUORDSA-N 2 0 227.352 1.797 20 0 BDADRP COC(=O)C(C)(C)CC[NH2+]CCC[NH2+]C1CC1 ZINC000415071454 386556802 /nfs/dbraw/zinc/55/68/02/386556802.db2.gz TYUIAIMZWDTDNZ-UHFFFAOYSA-N 2 0 242.363 1.307 20 0 BDADRP CC(C)[C@H]([NH3+])C[NH2+]C1CCC(C[NH3+])CC1 ZINC000414794278 386557547 /nfs/dbraw/zinc/55/75/47/386557547.db2.gz LQOUCJJFZBSJNW-HTAVTVPLSA-N 3 0 213.369 1.077 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+]C[C@@]2(C)CCC[NH2+]C2)CC[NH2+]1 ZINC000414919827 386562720 /nfs/dbraw/zinc/56/27/20/386562720.db2.gz XWYZNRUVJIDVKW-RDBSUJKOSA-N 3 0 239.407 1.354 20 0 BDADRP [NH3+]CC1CCC([NH2+]CCC[NH2+]C2CC2)CC1 ZINC000415072229 386564724 /nfs/dbraw/zinc/56/47/24/386564724.db2.gz VVVRJTADJDWFBL-UHFFFAOYSA-N 3 0 225.380 1.236 20 0 BDADRP COCc1cccc(C[NH2+]C[C@@]2(C)CC[NH2+]C2)c1 ZINC000415075450 386569579 /nfs/dbraw/zinc/56/95/79/386569579.db2.gz BKGGAFPQFIDEGC-HNNXBMFYSA-N 2 0 248.370 1.922 20 0 BDADRP CC[C@@H]1CCC[C@@H](C[N@H+](C)C[C@@H](O)C[NH3+])C1 ZINC000415073869 386572056 /nfs/dbraw/zinc/57/20/56/386572056.db2.gz YZGYODJPVZMNFR-UPJWGTAASA-N 2 0 228.380 1.454 20 0 BDADRP CCC([NH3+])(CC)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000414809708 386620863 /nfs/dbraw/zinc/62/08/63/386620863.db2.gz MSKVNLMNMGHWLZ-UHFFFAOYSA-N 2 0 227.396 1.611 20 0 BDADRP C[C@@]1(C[NH2+]C[C@@H]2CCCCO2)CC[NH2+]C1 ZINC000062912052 386655797 /nfs/dbraw/zinc/65/57/97/386655797.db2.gz FOJFSDNPZGRIHB-NWDGAFQWSA-N 2 0 212.337 1.145 20 0 BDADRP CCC([NH3+])(CC)CNC1CC[NH+](C(C)C)CC1 ZINC000414813778 386637289 /nfs/dbraw/zinc/63/72/89/386637289.db2.gz UMYADMXMVRBZSS-UHFFFAOYSA-N 3 0 241.423 1.966 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000414811627 386637793 /nfs/dbraw/zinc/63/77/93/386637793.db2.gz PZTASMLQRGKKIM-OCCSQVGLSA-N 3 0 247.386 1.796 20 0 BDADRP COCC(C)(C)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415132763 386639195 /nfs/dbraw/zinc/63/91/95/386639195.db2.gz ULGPPXCKXJKGKV-VXGBXAGGSA-N 2 0 228.380 1.576 20 0 BDADRP COCC(C)(C)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415132761 386639482 /nfs/dbraw/zinc/63/94/82/386639482.db2.gz ULGPPXCKXJKGKV-RYUDHWBXSA-N 2 0 228.380 1.576 20 0 BDADRP C([NH2+]C1CCSCC1)[C@H]1CCC[NH2+]1 ZINC000232463221 386645522 /nfs/dbraw/zinc/64/55/22/386645522.db2.gz QFCQSLJGLMAVTC-SNVBAGLBSA-N 2 0 200.351 1.224 20 0 BDADRP CCCC[C@@H](C[NH3+])NC1CC[NH+](CC)CC1 ZINC000414814509 386645858 /nfs/dbraw/zinc/64/58/58/386645858.db2.gz NYFWOEKOFVVTKN-ZDUSSCGKSA-N 2 0 227.396 1.578 20 0 BDADRP CC[C@H]([NH2+]C1CCC([NH3+])CC1)[C@@H]1CCCO1 ZINC000415084800 386599718 /nfs/dbraw/zinc/59/97/18/386599718.db2.gz RNWJSJUSEOKYBT-TYUFSLCMSA-N 2 0 226.364 1.804 20 0 BDADRP CCC(CC)[C@@H](O)C[NH2+]C[C@H]([NH3+])CC(C)C ZINC000415087314 386606868 /nfs/dbraw/zinc/60/68/68/386606868.db2.gz SSKSESSZZWLDSH-OLZOCXBDSA-N 2 0 230.396 1.747 20 0 BDADRP C(CN1CCC2(CC[NH2+]2)CC1)C1CC[NH2+]CC1 ZINC000335489366 386607557 /nfs/dbraw/zinc/60/75/57/386607557.db2.gz USCWHPUCNOKAMT-UHFFFAOYSA-N 2 0 237.391 1.204 20 0 BDADRP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)C1CCOCC1 ZINC000415092087 386609945 /nfs/dbraw/zinc/60/99/45/386609945.db2.gz SAPBKIDEBYQCKF-DCBWTQNWSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)C1CCOCC1 ZINC000415092088 386610317 /nfs/dbraw/zinc/61/03/17/386610317.db2.gz SAPBKIDEBYQCKF-LKSINWNRSA-N 2 0 240.391 1.909 20 0 BDADRP COC(=O)c1cccc2c1CCN(CCC[NH3+])C2 ZINC000415090386 386611141 /nfs/dbraw/zinc/61/11/41/386611141.db2.gz AKCJZSOAFOGETL-UHFFFAOYSA-N 2 0 248.326 1.180 20 0 BDADRP CC(C)OCCC[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC000415090964 386611822 /nfs/dbraw/zinc/61/18/22/386611822.db2.gz ZZYSACIIPXTKPK-GFCCVEGCSA-N 2 0 214.353 1.391 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+]C2CCC(C[NH3+])CC2)O1 ZINC000415096235 386614612 /nfs/dbraw/zinc/61/46/12/386614612.db2.gz PNBBXAUGGAABOQ-IKWCTNDRSA-N 2 0 226.364 1.661 20 0 BDADRP CCC([NH3+])(CC)CNCc1cc(C)n(C)n1 ZINC000414809416 386617022 /nfs/dbraw/zinc/61/70/22/386617022.db2.gz MJMVDSBLWGOEES-UHFFFAOYSA-N 2 0 224.352 1.336 20 0 BDADRP C[C@@H]([NH3+])c1ccc(CN[C@H]2CC[NH2+]C2)cc1 ZINC000414807361 386617231 /nfs/dbraw/zinc/61/72/31/386617231.db2.gz CSHDRVSFLJGOHW-MFKMUULPSA-N 3 0 219.332 1.158 20 0 BDADRP CC(C)([NH3+])CNCc1ccc(N2CCCC2)nc1 ZINC000414807522 386618272 /nfs/dbraw/zinc/61/82/72/386618272.db2.gz RKYUZLBELVDFPZ-UHFFFAOYSA-N 2 0 248.374 1.509 20 0 BDADRP C[NH2+]CCN[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000414820666 386666346 /nfs/dbraw/zinc/66/63/46/386666346.db2.gz CNMJEXLKZCGXDO-HIFRSBDPSA-N 2 0 247.386 1.631 20 0 BDADRP C[NH2+]CCNC[C@@H](C)c1ccc(F)cc1 ZINC000414823627 386676869 /nfs/dbraw/zinc/67/68/69/386676869.db2.gz IPHLONGSQUCIDW-SNVBAGLBSA-N 2 0 210.296 1.738 20 0 BDADRP Cc1ccc(O)c(C[NH2+]CC[C@@H]2CC[NH2+]C2)n1 ZINC000414831293 386709668 /nfs/dbraw/zinc/70/96/68/386709668.db2.gz NATFKMGRYKKYRG-NSHDSACASA-N 2 0 235.331 1.185 20 0 BDADRP C[NH+]1CCC(N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000414830669 386710088 /nfs/dbraw/zinc/71/00/88/386710088.db2.gz BIVPOJOMBOCATH-CQSZACIVSA-N 2 0 239.407 1.578 20 0 BDADRP CC1(C)CCC[NH2+][C@@H]1CNC[C@@H]1CCC[NH2+]C1 ZINC000414927228 386684630 /nfs/dbraw/zinc/68/46/30/386684630.db2.gz LUGDRSAQGCRCRZ-CHWSQXEVSA-N 2 0 239.407 1.354 20 0 BDADRP N[C@H](C[NH2+]C1CCC(C[NH3+])CC1)c1ccccc1 ZINC000414825215 386688618 /nfs/dbraw/zinc/68/86/18/386688618.db2.gz BYVCDIFKKZUWFS-PESDSKBTSA-N 2 0 247.386 1.794 20 0 BDADRP COc1ccc2c(c1)C[C@H]([NH2+]CC[C@H](C)[NH3+])CC2 ZINC000414825347 386690450 /nfs/dbraw/zinc/69/04/50/386690450.db2.gz SGMGYWSRDLZBEL-SMDDNHRTSA-N 2 0 248.370 1.879 20 0 BDADRP CCC[C@H]1[C@H](C)CCC[N@@H+]1CCOCC[NH3+] ZINC000357071215 386711945 /nfs/dbraw/zinc/71/19/45/386711945.db2.gz JNGSCYUIFPOOLH-OLZOCXBDSA-N 2 0 228.380 1.862 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CC1(C)CCOCC1 ZINC000336648756 386698090 /nfs/dbraw/zinc/69/80/90/386698090.db2.gz GQVBINDLEPJXRB-GFCCVEGCSA-N 2 0 228.380 1.910 20 0 BDADRP C[C@@H]1C[C@H]1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357051053 386703322 /nfs/dbraw/zinc/70/33/22/386703322.db2.gz MNTDGPKWGYPJLX-XBFCOCLRSA-N 2 0 222.376 1.964 20 0 BDADRP CC[NH2+]CCNCc1ccc(NC(C)=O)cc1 ZINC000414830217 386705915 /nfs/dbraw/zinc/70/59/15/386705915.db2.gz NPWVRZBCORWNTM-UHFFFAOYSA-N 2 0 235.331 1.344 20 0 BDADRP CC(C)n1cc(CNC[C@H]2CCC[NH2+]C2)cn1 ZINC000414830569 386706365 /nfs/dbraw/zinc/70/63/65/386706365.db2.gz OXHWCDPWUBCLGD-LBPRGKRZSA-N 2 0 236.363 1.553 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]CC[C@@H]2CC[NH2+]C2)CC1 ZINC000414830687 386708627 /nfs/dbraw/zinc/70/86/27/386708627.db2.gz MGGAVUVOBSYAEA-ZDUSSCGKSA-N 3 0 239.407 1.448 20 0 BDADRP C[C@@H]1Cc2ccccc2C[N@@H+]1CCOCC[NH3+] ZINC000357090981 386715745 /nfs/dbraw/zinc/71/57/45/386715745.db2.gz VPUKBOGCWZWHRT-GFCCVEGCSA-N 2 0 234.343 1.409 20 0 BDADRP [NH3+][C@H](CN[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000414834733 386723682 /nfs/dbraw/zinc/72/36/82/386723682.db2.gz QTECQCFNXBTEIV-QWHCGFSZSA-N 2 0 219.332 1.028 20 0 BDADRP C[C@H](CCn1cccn1)[NH2+][C@H]1CCN(C2CC2)C1 ZINC000353541356 386756430 /nfs/dbraw/zinc/75/64/30/386756430.db2.gz JNRHRMKDFAQYAU-OLZOCXBDSA-N 2 0 248.374 1.488 20 0 BDADRP CCC[NH+]1CCC(N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000414931205 386759979 /nfs/dbraw/zinc/75/99/79/386759979.db2.gz PRXYZYCYJFCJNG-TZMCWYRMSA-N 2 0 239.407 1.448 20 0 BDADRP CCCCC[N@H+](CCO)C[C@@]1(C)CC[NH2+]C1 ZINC000340714192 386760570 /nfs/dbraw/zinc/76/05/70/386760570.db2.gz RQRDWNRWEKIXKV-ZDUSSCGKSA-N 2 0 228.380 1.471 20 0 BDADRP COC[C@H](CC(C)C)[NH2+][C@H](C)CC[NH+](C)C ZINC000336761491 386765319 /nfs/dbraw/zinc/76/53/19/386765319.db2.gz KOIJBXYJAKRQJE-OLZOCXBDSA-N 2 0 230.396 1.977 20 0 BDADRP Cc1noc(C)c1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000122319849 386742521 /nfs/dbraw/zinc/74/25/21/386742521.db2.gz WWQCWEMEGJKIDX-GZMMTYOYSA-N 2 0 223.320 1.461 20 0 BDADRP CC[C@H]([NH3+])C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417831770 386793282 /nfs/dbraw/zinc/79/32/82/386793282.db2.gz KVQNRECUZOGDIA-QWHCGFSZSA-N 2 0 249.358 1.320 20 0 BDADRP Cc1nnc(CN2CCC[C@H](c3ncc[nH]3)C2)[nH]1 ZINC000293092078 386776726 /nfs/dbraw/zinc/77/67/26/386776726.db2.gz INVBQZMPMZXFRU-JTQLQIEISA-N 2 0 246.318 1.216 20 0 BDADRP CC(C)N(CC[NH2+][C@H](C)CCC[NH3+])C(C)C ZINC000336666940 386780157 /nfs/dbraw/zinc/78/01/57/386780157.db2.gz QIIUXJSHMJCECQ-CYBMUJFWSA-N 2 0 229.412 1.822 20 0 BDADRP C[C@@H](C1CCC1)[N@H+](C)C[C@@H](O)CN(C)C1CC1 ZINC000325330953 386784243 /nfs/dbraw/zinc/78/42/43/386784243.db2.gz HKBMGRUNLQQSAP-SMDDNHRTSA-N 2 0 240.391 1.562 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000398387937 386819048 /nfs/dbraw/zinc/81/90/48/386819048.db2.gz PRONCKDEUFUWFF-FRRDWIJNSA-N 2 0 228.380 1.645 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000398387938 386819271 /nfs/dbraw/zinc/81/92/71/386819271.db2.gz PRONCKDEUFUWFF-JHJVBQTASA-N 2 0 228.380 1.645 20 0 BDADRP C([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)[C@@H]1CCC[NH2+]1 ZINC000414846096 386810716 /nfs/dbraw/zinc/81/07/16/386810716.db2.gz NADDWAFESZCCTR-UMSGYPCISA-N 2 0 236.359 1.286 20 0 BDADRP C(C[N@@H+]1CC[C@]2(CCOC2)C1)[C@@H]1CC[NH2+]C1 ZINC000334783903 386842344 /nfs/dbraw/zinc/84/23/44/386842344.db2.gz DMSPJYNOFPQBCC-STQMWFEESA-N 2 0 224.348 1.098 20 0 BDADRP C(C[N@@H+]1CC[C@@]2(CCOC2)C1)[C@H]1CCC[NH2+]C1 ZINC000334785346 386844877 /nfs/dbraw/zinc/84/48/77/386844877.db2.gz OMDSCAFZWAFUIS-ZIAGYGMSSA-N 2 0 238.375 1.489 20 0 BDADRP C[N@@H+]1CCC[C@@]2(CC[NH+]([C@@H]3CCCOC3)C2)C1 ZINC000645187920 386850525 /nfs/dbraw/zinc/85/05/25/386850525.db2.gz LDQXSMMQPIDCDJ-ZIAGYGMSSA-N 2 0 238.375 1.583 20 0 BDADRP C[N@@H+]1CCC[C@]2(CC[NH+]([C@H]3CCCOC3)C2)C1 ZINC000645187917 386850813 /nfs/dbraw/zinc/85/08/13/386850813.db2.gz LDQXSMMQPIDCDJ-KBPBESRZSA-N 2 0 238.375 1.583 20 0 BDADRP Cc1cnc(CN[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)n1C ZINC000341291116 386863191 /nfs/dbraw/zinc/86/31/91/386863191.db2.gz RJIDSNQERQMFBH-ZYHUDNBSSA-N 2 0 248.374 1.443 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2O)c2ccccc21 ZINC000331598217 386873637 /nfs/dbraw/zinc/87/36/37/386873637.db2.gz NXFMYDPCONJKEE-RFQIPJPRSA-N 2 0 232.327 1.634 20 0 BDADRP C[C@H]1C[N@H+](CCC2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000335759064 386887975 /nfs/dbraw/zinc/88/79/75/386887975.db2.gz UOSNEHHBHCYMAP-WCQYABFASA-N 3 0 225.380 1.045 20 0 BDADRP [NH3+]C1CC[NH+](Cc2cccc3c2NCC3)CC1 ZINC000335760240 386897214 /nfs/dbraw/zinc/89/72/14/386897214.db2.gz JHGCCHSQBQSMOL-UHFFFAOYSA-N 2 0 231.343 1.578 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000331870909 386919580 /nfs/dbraw/zinc/91/95/80/386919580.db2.gz BFVIWKSHRCQTFD-TUAOUCFPSA-N 2 0 214.353 1.397 20 0 BDADRP CC1(C)CCC[NH2+][C@H]1CN[C@@H]1CCC[NH2+]CC1 ZINC000334865309 386922485 /nfs/dbraw/zinc/92/24/85/386922485.db2.gz SIVODXRWOJWLND-OLZOCXBDSA-N 2 0 239.407 1.496 20 0 BDADRP CC[C@H](O)CC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000331903091 386924140 /nfs/dbraw/zinc/92/41/40/386924140.db2.gz FJMLYWRIQJIRDM-QJPTWQEYSA-N 2 0 214.353 1.397 20 0 BDADRP [NH3+][C@@H]1C[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)c2ccccc21 ZINC000331968983 386933498 /nfs/dbraw/zinc/93/34/98/386933498.db2.gz JLLKMCKEAIZPDB-BVIHXZOGSA-N 2 0 245.370 1.991 20 0 BDADRP C[C@](O)(C[NH2+]C1CCC(C[NH3+])CC1)C1CC1 ZINC000332138404 386964208 /nfs/dbraw/zinc/96/42/08/386964208.db2.gz GGHVRLFNFPPANM-GDKBPFBDSA-N 2 0 226.364 1.255 20 0 BDADRP c1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)on1 ZINC000334931199 387007525 /nfs/dbraw/zinc/00/75/25/387007525.db2.gz YZWFKPRQDWJUSV-UHFFFAOYSA-N 2 0 221.304 1.250 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000332342360 386971546 /nfs/dbraw/zinc/97/15/46/386971546.db2.gz PZYKIPCOHVDZGY-RFQIPJPRSA-N 2 0 240.391 1.787 20 0 BDADRP [NH3+][C@@H]1C[C@H](NC[C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000332316094 386972241 /nfs/dbraw/zinc/97/22/41/386972241.db2.gz YMACLVFONBKDDI-GLQYFDAESA-N 2 0 245.370 1.720 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CC[C@@H]2SC)C1 ZINC000425363735 386972819 /nfs/dbraw/zinc/97/28/19/386972819.db2.gz XTVCDTNMNPLTEN-WOPDTQHZSA-N 2 0 228.405 1.812 20 0 BDADRP CC(C)(C)[NH+]1CCC([NH2+]CC2(O)CCC2)CC1 ZINC000358715082 387001110 /nfs/dbraw/zinc/00/11/10/387001110.db2.gz MPHHXEKRLQHJTQ-UHFFFAOYSA-N 2 0 240.391 1.754 20 0 BDADRP Cc1c[nH]nc1CN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000334820657 386949417 /nfs/dbraw/zinc/94/94/17/386949417.db2.gz MECNUFBBIDXEOP-MWLCHTKSSA-N 2 0 222.336 1.135 20 0 BDADRP CC(C)(CO)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000168597032 387036649 /nfs/dbraw/zinc/03/66/49/387036649.db2.gz SCDDMVXOQUBKGQ-GHMZBOCLSA-N 2 0 214.353 1.112 20 0 BDADRP COCCC1(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000400733710 533209559 /nfs/dbraw/zinc/20/95/59/533209559.db2.gz RGIMRXPECUYQJS-RYUDHWBXSA-N 2 0 226.364 1.533 20 0 BDADRP CC1(C)CN(CC[NH3+])CC[C@@H]1C(F)(F)F ZINC000334967692 387051602 /nfs/dbraw/zinc/05/16/02/387051602.db2.gz JBSXJPQRAFHWCL-QMMMGPOBSA-N 2 0 224.270 1.856 20 0 BDADRP CC(C)([NH3+])CCC(=O)NCC1(C)CC[NH2+]CC1 ZINC000648108596 387060162 /nfs/dbraw/zinc/06/01/62/387060162.db2.gz AWUDBWRXSCWHBS-UHFFFAOYSA-N 2 0 241.379 1.010 20 0 BDADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H](C[NH3+])C(C)C ZINC000228005516 387060680 /nfs/dbraw/zinc/06/06/80/387060680.db2.gz TXPMSMVGWISGFH-RYUDHWBXSA-N 2 0 243.395 1.064 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000333119184 387018545 /nfs/dbraw/zinc/01/85/45/387018545.db2.gz HVNZLUYJRXNVRK-YNEHKIRRSA-N 3 0 225.380 1.236 20 0 BDADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)NCC1([NH3+])CCC1 ZINC000333186116 387021255 /nfs/dbraw/zinc/02/12/55/387021255.db2.gz SYERAVZPNPMIKD-QWHCGFSZSA-N 3 0 239.407 1.768 20 0 BDADRP CS[C@@H]1CC[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000425366084 387024779 /nfs/dbraw/zinc/02/47/79/387024779.db2.gz ZGNJGQNOOGRSRC-NWDGAFQWSA-N 2 0 228.405 1.812 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000333328227 387028600 /nfs/dbraw/zinc/02/86/00/387028600.db2.gz VRYVJRMXTKUFJI-RYUDHWBXSA-N 2 0 238.375 1.399 20 0 BDADRP CC[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000334981536 387068731 /nfs/dbraw/zinc/06/87/31/387068731.db2.gz RMGLNTYCFYALBV-NWDGAFQWSA-N 2 0 226.364 1.472 20 0 BDADRP Cc1c[nH+]ccc1N1CCC2(CC[NH2+]C2)CC1 ZINC000334992469 387082131 /nfs/dbraw/zinc/08/21/31/387082131.db2.gz RIBHYOGDGAQRBQ-UHFFFAOYSA-N 2 0 231.343 1.970 20 0 BDADRP Cc1ccnc([C@H](C)[NH2+]C[C@H](C)C[NH3+])c1 ZINC000423299288 387130757 /nfs/dbraw/zinc/13/07/57/387130757.db2.gz BPXDKBRMLGHZQV-MNOVXSKESA-N 2 0 207.321 1.635 20 0 BDADRP C(C[NH+]1CCC2(CC[NH2+]C2)CC1)[C@@H]1CC[NH2+]C1 ZINC000334996041 387087415 /nfs/dbraw/zinc/08/74/15/387087415.db2.gz KIBPLGXHYRXKCS-ZDUSSCGKSA-N 3 0 237.391 1.062 20 0 BDADRP Cc1cnc(CN[C@H]2CC[N@@H+](C)C[C@H]2C)s1 ZINC000228430631 387093262 /nfs/dbraw/zinc/09/32/62/387093262.db2.gz TVFDTYWVXYPBEY-KOLCDFICSA-N 2 0 239.388 1.881 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C1CC(C)(F)C1 ZINC000335004743 387099214 /nfs/dbraw/zinc/09/92/14/387099214.db2.gz DTPPEROUUJBIKA-QTAHKJALSA-N 2 0 214.328 1.855 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+]CC2C[NH2+]C2)C1(CC)CC ZINC000423300098 387131582 /nfs/dbraw/zinc/13/15/82/387131582.db2.gz DHELWANEVVCYBV-OLZOCXBDSA-N 2 0 240.391 1.779 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CC1=CCOCC1 ZINC000335010654 387105172 /nfs/dbraw/zinc/10/51/72/387105172.db2.gz JBCMLIIDTSJAAZ-STQMWFEESA-N 2 0 224.348 1.583 20 0 BDADRP C[C@H]1COCC[C@@H]1[NH2+]CC1([NH3+])CCCCC1 ZINC000335011460 387107540 /nfs/dbraw/zinc/10/75/40/387107540.db2.gz SSMGDRFOMQHEOI-RYUDHWBXSA-N 2 0 226.364 1.663 20 0 BDADRP C[N@@H+](C[C@H]1CCCCO1)C[C@H]1CCC[NH2+]C1 ZINC000250366122 387115149 /nfs/dbraw/zinc/11/51/49/387115149.db2.gz FYAUPBBJHNIWSV-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]CC2C[NH2+]C2)C1(CC)CC ZINC000423300097 387132410 /nfs/dbraw/zinc/13/24/10/387132410.db2.gz DHELWANEVVCYBV-CHWSQXEVSA-N 2 0 240.391 1.779 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CCCC[C@@H](CO)C1 ZINC000370622369 387129130 /nfs/dbraw/zinc/12/91/30/387129130.db2.gz NHFHIHASMMCROV-CQSZACIVSA-N 2 0 242.407 1.813 20 0 BDADRP FC(F)(F)[C@H]1CCC[C@H]([NH2+]CC2C[NH2+]C2)C1 ZINC000423305827 387141767 /nfs/dbraw/zinc/14/17/67/387141767.db2.gz RSXPXLPZWQLXKU-UWVGGRQHSA-N 2 0 236.281 1.917 20 0 BDADRP C[C@@H]1[C@@H]([NH2+]CC2C[NH2+]C2)C[C@@H]1c1ccccc1 ZINC000423305548 387142285 /nfs/dbraw/zinc/14/22/85/387142285.db2.gz RDNHVXJRWKJIRG-CQDKDKBSSA-N 2 0 230.355 1.988 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000459631826 387143555 /nfs/dbraw/zinc/14/35/55/387143555.db2.gz KSEZDVZKHZGETA-SYQHCUMBSA-N 2 0 238.375 1.770 20 0 BDADRP C[C@H](C[NH3+])CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000423310894 387149176 /nfs/dbraw/zinc/14/91/76/387149176.db2.gz SOJUAPBSTWAODV-LPWJVIDDSA-N 2 0 225.380 1.044 20 0 BDADRP CCC[NH2+]CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000423311023 387149248 /nfs/dbraw/zinc/14/92/48/387149248.db2.gz OWSNKIGPKQGVCU-MGPQQGTHSA-N 2 0 239.407 1.448 20 0 BDADRP Nc1ncc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)s1 ZINC000571762392 387164141 /nfs/dbraw/zinc/16/41/41/387164141.db2.gz IDKQNENHCZATLL-VIFPVBQESA-N 2 0 240.376 1.116 20 0 BDADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000423321489 387164482 /nfs/dbraw/zinc/16/44/82/387164482.db2.gz GELAOQLSDBMPAU-RYUDHWBXSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000423322917 387166152 /nfs/dbraw/zinc/16/61/52/387166152.db2.gz HLZGRRMOXCMWSV-NEPJUHHUSA-N 3 0 225.380 1.106 20 0 BDADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)C1CCOCC1 ZINC000423343646 387193631 /nfs/dbraw/zinc/19/36/31/387193631.db2.gz XAMKXUDSJZDISP-LBPRGKRZSA-N 2 0 240.391 1.781 20 0 BDADRP Cc1ccnc([C@@H](C)[NH2+]CCCC[NH3+])c1 ZINC000423332065 387178687 /nfs/dbraw/zinc/17/86/87/387178687.db2.gz QOARKLLGYLQTAN-LLVKDONJSA-N 2 0 207.321 1.780 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCC[C@H]1C ZINC000300243547 387182878 /nfs/dbraw/zinc/18/28/78/387182878.db2.gz SXXDTJXAJIEUQK-AGIUHOORSA-N 2 0 228.380 1.766 20 0 BDADRP [NH3+]CCCC[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000423339132 387187413 /nfs/dbraw/zinc/18/74/13/387187413.db2.gz WNAQRSIAYFIDGZ-MELADBBJSA-N 2 0 240.391 1.910 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+]CC2=CC[NH2+]CC2)C1(C)C ZINC000423341237 387190949 /nfs/dbraw/zinc/19/09/49/387190949.db2.gz KDJFGPFITWYYRF-STQMWFEESA-N 2 0 238.375 1.699 20 0 BDADRP COc1ccc2c(c1)[C@H]([NH2+]CC1C[NH2+]C1)CC2 ZINC000423300033 387133010 /nfs/dbraw/zinc/13/30/10/387133010.db2.gz CWOKSTHCWVHGRS-CQSZACIVSA-N 2 0 232.327 1.492 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423426966 387252460 /nfs/dbraw/zinc/25/24/60/387252460.db2.gz PZPGYXODMVLIRH-RNJOBUHISA-N 3 0 227.396 1.467 20 0 BDADRP C[C@@H](NC[C@]1(C)CCC[NH2+]C1)[C@H]1CCC[NH2+]1 ZINC000423351571 387204152 /nfs/dbraw/zinc/20/41/52/387204152.db2.gz ZFHGPMUUJIKVSF-JHJVBQTASA-N 2 0 225.380 1.106 20 0 BDADRP C(C[C@H]1CCC[NH2+]1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000423355434 387205770 /nfs/dbraw/zinc/20/57/70/387205770.db2.gz FLGVDRNFKQILJC-RDBSUJKOSA-N 2 0 237.391 1.345 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CC2=CC[NH2+]CC2)[C@@H]2CCC[C@@H]21 ZINC000423355241 387205964 /nfs/dbraw/zinc/20/59/64/387205964.db2.gz OSCOZKKZHSHQAL-KKUMJFAQSA-N 3 0 249.402 1.369 20 0 BDADRP CC[C@@H](NCC[C@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000423356497 387206626 /nfs/dbraw/zinc/20/66/26/387206626.db2.gz JZYMZMFLFGAJBC-UPJWGTAASA-N 2 0 225.380 1.249 20 0 BDADRP C[C@H](NCC1=CC[NH2+]CC1)[C@H]1CCCC[NH2+]1 ZINC000423357020 387207255 /nfs/dbraw/zinc/20/72/55/387207255.db2.gz RRBPXCMVZSBHDW-WCQYABFASA-N 2 0 223.364 1.026 20 0 BDADRP CC[C@H]([NH2+]CC1=CC[NH2+]CC1)[C@@H]1C[C@@H]1C ZINC000423357667 387208182 /nfs/dbraw/zinc/20/81/82/387208182.db2.gz SMPPFJLPBKKOOF-UHTWSYAYSA-N 2 0 208.349 1.930 20 0 BDADRP CC[C@H](NCC[C@H]1CCC[NH2+]1)[C@H]1CCCC[NH2+]1 ZINC000423355935 387208691 /nfs/dbraw/zinc/20/86/91/387208691.db2.gz JCZMPKLPPGAYHM-HZSPNIEDSA-N 2 0 239.407 1.639 20 0 BDADRP COCCC[C@@H](C)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423356719 387208704 /nfs/dbraw/zinc/20/87/04/387208704.db2.gz HGAJHYCGWJFPIP-VXGBXAGGSA-N 2 0 214.353 1.533 20 0 BDADRP CN(CCN(C)[C@H](C[NH3+])C1CC1)c1ccccc1 ZINC000360003976 387211422 /nfs/dbraw/zinc/21/14/22/387211422.db2.gz WEAMJDKHIFNPSB-OAHLLOKOSA-N 2 0 247.386 1.792 20 0 BDADRP COC[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353500033 387214594 /nfs/dbraw/zinc/21/45/94/387214594.db2.gz VRJUGGLHNSNIRM-SYQHCUMBSA-N 2 0 240.391 1.731 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353504586 387217976 /nfs/dbraw/zinc/21/79/76/387217976.db2.gz SBONQPMAPHVPOE-CRWXNKLISA-N 2 0 240.391 1.610 20 0 BDADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)[C@@H]1CCOC1 ZINC000353521971 387220402 /nfs/dbraw/zinc/22/04/02/387220402.db2.gz SUWQAWXBACUVNZ-IWMBGFJWSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccccc1CO ZINC000572027031 387223748 /nfs/dbraw/zinc/22/37/48/387223748.db2.gz VVIIXPQBWDBJKF-GHMZBOCLSA-N 2 0 222.332 1.394 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]CCC[NH2+]C2CC2)C1(C)C ZINC000300652487 387234559 /nfs/dbraw/zinc/23/45/59/387234559.db2.gz ZORKIDBEMZOPOP-QWHCGFSZSA-N 2 0 240.391 1.922 20 0 BDADRP COCC1(C[NH2+][C@H](C)C2(C)CC2)CC[NH2+]CC1 ZINC000423401713 387237239 /nfs/dbraw/zinc/23/72/39/387237239.db2.gz GSCVXJRTAMOTHZ-GFCCVEGCSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@@H]1C[C@@H](N[C@H]2CCC[NH2+][C@H]2C)C[N@@H+]1C1CC1 ZINC000423403610 387240447 /nfs/dbraw/zinc/24/04/47/387240447.db2.gz YQXCHVDGZGMPDU-CZXHOFHRSA-N 2 0 237.391 1.342 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)[C@H]1CCC[NH2+]1 ZINC000423420663 387248340 /nfs/dbraw/zinc/24/83/40/387248340.db2.gz JMRBZCUKFVNRRT-AAVRWANBSA-N 3 0 239.407 1.482 20 0 BDADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H]2CCC[C@H]2[NH3+])CC1 ZINC000423415255 387249149 /nfs/dbraw/zinc/24/91/49/387249149.db2.gz AKDNJIBSLQVRKF-LPWJVIDDSA-N 3 0 225.380 1.221 20 0 BDADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000352488929 387251009 /nfs/dbraw/zinc/25/10/09/387251009.db2.gz WEAYTHSNLFSKBE-CQSZACIVSA-N 3 0 239.407 1.579 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])[C@H]1CCCC[NH2+]1 ZINC000423427130 387251991 /nfs/dbraw/zinc/25/19/91/387251991.db2.gz IEIXUYWTQBLZTN-YNEHKIRRSA-N 3 0 227.396 1.624 20 0 BDADRP CC[C@H](NC[C@@]1(C)CCC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423345501 387195190 /nfs/dbraw/zinc/19/51/90/387195190.db2.gz OZPMSWCZVWOHMF-IHRRRGAJSA-N 2 0 239.407 1.496 20 0 BDADRP CC[C@H](NC[C@]1(C)CCC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423345502 387195991 /nfs/dbraw/zinc/19/59/91/387195991.db2.gz OZPMSWCZVWOHMF-MELADBBJSA-N 2 0 239.407 1.496 20 0 BDADRP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)[C@H]1CCCO1 ZINC000423348300 387197305 /nfs/dbraw/zinc/19/73/05/387197305.db2.gz SXGDSCZWSVEFRL-XQQFMLRXSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCC[NH2+]1 ZINC000423461967 387310424 /nfs/dbraw/zinc/31/04/24/387310424.db2.gz DAXXMXQLFQRZJO-UMSGYPCISA-N 3 0 225.380 1.234 20 0 BDADRP C[C@@H]1CC[C@@H](C)[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000423467571 387314191 /nfs/dbraw/zinc/31/41/91/387314191.db2.gz XTSZMUIPCUWLPO-HKLHZYFVSA-N 2 0 208.349 1.619 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NC[C@H]1[NH2+]CCCC1(C)C ZINC000423385239 387269209 /nfs/dbraw/zinc/26/92/09/387269209.db2.gz KJGMORDOQZTZDR-QJPTWQEYSA-N 2 0 227.396 1.480 20 0 BDADRP CC1(C)CCC[NH2+][C@@H]1CN[C@@H]1CCC[C@H]1C[NH3+] ZINC000423387541 387272383 /nfs/dbraw/zinc/27/23/83/387272383.db2.gz MCMCRJATVQDCRP-YNEHKIRRSA-N 2 0 239.407 1.482 20 0 BDADRP CC[NH2+][C@H](C)CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423388042 387273182 /nfs/dbraw/zinc/27/31/82/387273182.db2.gz MOKMOMRIWOFJDI-IPYPFGDCSA-N 2 0 249.402 1.533 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cccn2C)C1 ZINC000161851514 387273498 /nfs/dbraw/zinc/27/34/98/387273498.db2.gz DMAMVTJHHTVAJB-CYBMUJFWSA-N 2 0 235.375 1.847 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]C[C@@H]1NCCCC1(C)C ZINC000423391475 387276333 /nfs/dbraw/zinc/27/63/33/387276333.db2.gz PMISUJXWHTXCJD-RYUDHWBXSA-N 2 0 227.396 1.482 20 0 BDADRP C[NH2+]CCC[NH2+][C@H](C)c1ccc(C)nc1C ZINC000643498462 387277673 /nfs/dbraw/zinc/27/76/73/387277673.db2.gz BGSYMPGEUAJBSM-LLVKDONJSA-N 2 0 221.348 1.959 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+][C@H](CC)[C@@H]1CCOC1 ZINC000423393600 387278706 /nfs/dbraw/zinc/27/87/06/387278706.db2.gz YYVCWDJUGYICBW-IJLUTSLNSA-N 2 0 214.353 1.389 20 0 BDADRP C[C@H](O)CC(C)(C)C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000393694719 259709915 /nfs/dbraw/zinc/70/99/15/259709915.db2.gz OFBZNYAXEMFYFG-TUAOUCFPSA-N 2 0 228.380 1.501 20 0 BDADRP C[C@H]1C[C@H](N[C@H]2CC[NH2+]C[C@H]2C)C[N@@H+]1C1CC1 ZINC000423395170 387282198 /nfs/dbraw/zinc/28/21/98/387282198.db2.gz NGAGPHVSSLNMBN-UHXUPSOCSA-N 2 0 237.391 1.199 20 0 BDADRP CC[C@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)C1CC1 ZINC000423432131 387284546 /nfs/dbraw/zinc/28/45/46/387284546.db2.gz QRQZOKPHESTWGB-QWHCGFSZSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423434760 387285707 /nfs/dbraw/zinc/28/57/07/387285707.db2.gz QMQWAKGKXFNUAA-RZFFKMDDSA-N 2 0 245.370 1.600 20 0 BDADRP FCCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423434777 387285903 /nfs/dbraw/zinc/28/59/03/387285903.db2.gz QPFRBXQDQDUEEH-KIJLLGNVSA-N 2 0 226.339 1.712 20 0 BDADRP COc1cc(C[NH2+][C@H]2CCC[NH2+]CC2)ccn1 ZINC000162229372 387285929 /nfs/dbraw/zinc/28/59/29/387285929.db2.gz HGPGYDRJALRPKF-LBPRGKRZSA-N 2 0 235.331 1.322 20 0 BDADRP CCC1(CC)[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])C[C@H]1OC ZINC000423442800 387292710 /nfs/dbraw/zinc/29/27/10/387292710.db2.gz KBKWNZFNMBBXEF-DDHJBXDOSA-N 2 0 228.380 1.905 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1NC[C@H]1[NH2+]CCc2ccccc21 ZINC000423443325 387293049 /nfs/dbraw/zinc/29/30/49/387293049.db2.gz WYNSXBLWKGHEFA-RBSFLKMASA-N 2 0 245.370 1.343 20 0 BDADRP C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000643461975 387295227 /nfs/dbraw/zinc/29/52/27/387295227.db2.gz IICODKLRDQKENP-MROQNXINSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H](Cc1ccccc1)[C@H](C)N ZINC000423444582 387295788 /nfs/dbraw/zinc/29/57/88/387295788.db2.gz BCFKNXMMTDFWMJ-IPYPFGDCSA-N 2 0 249.402 1.662 20 0 BDADRP Cc1cnn(C)c1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000285949375 387296064 /nfs/dbraw/zinc/29/60/64/387296064.db2.gz MPCLFDAFWSNKRF-UHFFFAOYSA-N 2 0 234.347 1.080 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1C[NH2+]CCC1(F)F ZINC000423480465 387297653 /nfs/dbraw/zinc/29/76/53/387297653.db2.gz NHYPKXFKSOWPIP-DCAQKATOSA-N 2 0 247.333 1.091 20 0 BDADRP CCOC1CC([NH2+]CC[C@H]2CCC[N@H+](C)C2)C1 ZINC000459791758 387298530 /nfs/dbraw/zinc/29/85/30/387298530.db2.gz RVXWTYINDBNFGW-IYXRBSQSSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2)C1C[NH2+]C1 ZINC000423452677 387298702 /nfs/dbraw/zinc/29/87/02/387298702.db2.gz WOEJJKFMRFFKAU-LLVKDONJSA-N 2 0 245.370 1.742 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000423455513 387303673 /nfs/dbraw/zinc/30/36/73/387303673.db2.gz CPBQWLGRGYKPOA-XDQVBPFNSA-N 2 0 240.391 1.909 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000423455518 387304511 /nfs/dbraw/zinc/30/45/11/387304511.db2.gz CPBQWLGRGYKPOA-ZOBORPQBSA-N 2 0 240.391 1.909 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000423459343 387306793 /nfs/dbraw/zinc/30/67/93/387306793.db2.gz HTRPFFBVUBUGSI-CHWSQXEVSA-N 2 0 234.343 1.707 20 0 BDADRP CC[C@H]([NH2+][C@H](C)CCC[NH3+])[C@@H]1CCC[NH2+]1 ZINC000423457740 387307165 /nfs/dbraw/zinc/30/71/65/387307165.db2.gz PKBBMXGPQYMJQW-WOPDTQHZSA-N 3 0 213.369 1.234 20 0 BDADRP C[C@@H]1C[C@H]([NH+]2CCSCC2)CC[NH2+]1 ZINC000575512060 387384098 /nfs/dbraw/zinc/38/40/98/387384098.db2.gz KNXDTVJNZSBNQJ-NXEZZACHSA-N 2 0 200.351 1.176 20 0 BDADRP CC[C@@H]1CCC[N@H+](C[C@](C)(O)C[NH2+]C)CC1 ZINC000515305616 387361791 /nfs/dbraw/zinc/36/17/91/387361791.db2.gz CEBUMBFIBUJULP-CHWSQXEVSA-N 2 0 228.380 1.469 20 0 BDADRP COc1ccc(C[C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])cn1 ZINC000423481128 387363202 /nfs/dbraw/zinc/36/32/02/387363202.db2.gz WQVYIZFFXFRLFU-GARJFASQSA-N 2 0 237.347 1.347 20 0 BDADRP Cc1n[nH]cc1CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000336540837 387363631 /nfs/dbraw/zinc/36/36/31/387363631.db2.gz GUJMJYFXCLLFRF-CYBMUJFWSA-N 2 0 236.363 1.634 20 0 BDADRP C[C@H](NC[C@H]1CCCC[NH2+]1)c1c[nH+]ccc1N ZINC000643502534 387365429 /nfs/dbraw/zinc/36/54/29/387365429.db2.gz JKTABLJWEREFFY-WDEREUQCSA-N 2 0 234.347 1.287 20 0 BDADRP CC[C@@H](NC[C@@H]1CCCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000643502482 387366569 /nfs/dbraw/zinc/36/65/69/387366569.db2.gz HREGYNRFXBPKKF-XQQFMLRXSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@H]1OCC[C@@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423543255 387368997 /nfs/dbraw/zinc/36/89/97/387368997.db2.gz UUEIKJRBAIWIIV-PWSUYJOCSA-N 2 0 210.321 1.063 20 0 BDADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+]CCC[NH2+]C2CC2)C1(C)C ZINC000423549169 387369946 /nfs/dbraw/zinc/36/99/46/387369946.db2.gz HMRSLQAHAVHUQQ-RAIGVLPGSA-N 2 0 240.391 1.778 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC2=CC[NH2+]CC2)[C@H]1C ZINC000423546105 387370199 /nfs/dbraw/zinc/37/01/99/387370199.db2.gz YQLPXSCOZGITFH-MDZLAQPJSA-N 2 0 208.349 1.930 20 0 BDADRP CC[C@H](C)C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423549297 387370679 /nfs/dbraw/zinc/37/06/79/387370679.db2.gz NHUREWSUAFDUOD-XDQVBPFNSA-N 2 0 240.391 1.779 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC[C@@H]2C)CCO1 ZINC000423559057 387374857 /nfs/dbraw/zinc/37/48/57/387374857.db2.gz SXSWFJRQXKBDMI-DGAVXFQQSA-N 2 0 240.391 1.922 20 0 BDADRP CC[C@H]([NH2+][C@H]1CCCC[NH2+]C1)[C@@H]1CCOC1 ZINC000423572636 387379268 /nfs/dbraw/zinc/37/92/68/387379268.db2.gz YMQRESVQEGRMPD-AGIUHOORSA-N 2 0 226.364 1.533 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000423570049 387379377 /nfs/dbraw/zinc/37/93/77/387379377.db2.gz WSNAXNLHEDEXMT-JSGCOSHPSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)[C@@H]1CCOC1 ZINC000423571991 387379748 /nfs/dbraw/zinc/37/97/48/387379748.db2.gz YAQQMXBUPYFJRJ-QJPTWQEYSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000643462872 387322303 /nfs/dbraw/zinc/32/23/03/387322303.db2.gz PXONHHBTUQVDBE-KWCYVHTRSA-N 2 0 237.391 1.058 20 0 BDADRP CC[C@H](N[C@H]1C[NH2+]CCC1(F)F)[C@@H]1CCC[NH2+]1 ZINC000423475390 387322474 /nfs/dbraw/zinc/32/24/74/387322474.db2.gz HWJPTOUECIOJGG-DCAQKATOSA-N 2 0 247.333 1.104 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCN(CC2CC2)C1 ZINC000643462724 387326896 /nfs/dbraw/zinc/32/68/96/387326896.db2.gz IEWVVWOEQUQMKD-GXTWGEPZSA-N 3 0 239.407 1.578 20 0 BDADRP CC[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000423480092 387327947 /nfs/dbraw/zinc/32/79/47/387327947.db2.gz MVIKJZQMFUMSDR-MJBXVCDLSA-N 3 0 239.407 1.639 20 0 BDADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)[C@H]1CCC[NH2+]1 ZINC000423487933 387333917 /nfs/dbraw/zinc/33/39/17/387333917.db2.gz UVVBHIVKOAHVTH-RWMBFGLXSA-N 3 0 225.380 1.249 20 0 BDADRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccnn1C ZINC000423491192 387335758 /nfs/dbraw/zinc/33/57/58/387335758.db2.gz YSIRJVAHIAXHDB-VXGBXAGGSA-N 2 0 236.363 1.603 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCOC[C@@H]2C)C1 ZINC000354148598 387335877 /nfs/dbraw/zinc/33/58/77/387335877.db2.gz YBHYIDWGSXZZSM-MJBXVCDLSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H](CC(C)(C)C)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423495737 387337540 /nfs/dbraw/zinc/33/75/40/387337540.db2.gz VEGBYMBAEREAIX-NEPJUHHUSA-N 2 0 228.380 1.779 20 0 BDADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000423495397 387339060 /nfs/dbraw/zinc/33/90/60/387339060.db2.gz FBQSFUPUOPQZPF-MROQNXINSA-N 3 0 225.380 1.221 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)[C@@H]1CCCO1 ZINC000423499648 387340491 /nfs/dbraw/zinc/34/04/91/387340491.db2.gz HWAUGPCUJLLTIW-YFKTTZPYSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000423498054 387341358 /nfs/dbraw/zinc/34/13/58/387341358.db2.gz ZUFCTYHSAWTOEN-NMKXLXIOSA-N 2 0 237.391 1.186 20 0 BDADRP Cc1ccncc1CN1CCC([NH+](C)C)CC1 ZINC000336522961 387349282 /nfs/dbraw/zinc/34/92/82/387349282.db2.gz RGFTWZISIIVTKP-UHFFFAOYSA-N 2 0 233.359 1.916 20 0 BDADRP CC[C@H]([NH2+][C@H](C)CC[NH+](C)C)[C@H]1CCOC1 ZINC000303393174 387349310 /nfs/dbraw/zinc/34/93/10/387349310.db2.gz KDKBTLPHCJBNRJ-AGIUHOORSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCC[NH2+]C1CC1 ZINC000423520106 387352605 /nfs/dbraw/zinc/35/26/05/387352605.db2.gz DQCTZCJCGXSENO-DYEKYZERSA-N 2 0 239.407 1.447 20 0 BDADRP CCC[NH2+][C@@H](C)C(=O)N(CC)CCC[NH+](C)C ZINC000423797343 387429541 /nfs/dbraw/zinc/42/95/41/387429541.db2.gz NXVXBEQNBDRBKB-LBPRGKRZSA-N 2 0 243.395 1.175 20 0 BDADRP C[N@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1CCC[C@H]1O ZINC000352699402 387442445 /nfs/dbraw/zinc/44/24/45/387442445.db2.gz QRINWZYJSIESRI-JHJVBQTASA-N 2 0 226.364 1.316 20 0 BDADRP C[C@@H](NC(=O)[C@H]([NH3+])CC1CCCCC1)[C@H](C)[NH3+] ZINC000423676280 387395017 /nfs/dbraw/zinc/39/50/17/387395017.db2.gz IQJFJWCKYYGPSX-HOSYDEDBSA-N 2 0 241.379 1.136 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000643475461 387509677 /nfs/dbraw/zinc/50/96/77/387509677.db2.gz UZMNUYFYVLDVTQ-SYCZCVCYSA-N 2 0 238.375 1.817 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@H]1COC(C)(C)C1 ZINC000396894518 387510189 /nfs/dbraw/zinc/51/01/89/387510189.db2.gz RYVXHEFPOVHPAX-GFCCVEGCSA-N 2 0 228.380 1.875 20 0 BDADRP CC[NH+](CC)CCN1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000375215794 387517411 /nfs/dbraw/zinc/51/74/11/387517411.db2.gz PQNXBDVMSVAEAF-KBPBESRZSA-N 2 0 239.407 1.354 20 0 BDADRP CC(C)[NH+]1CCC(NCC[NH2+]C2CC2)CC1 ZINC000643505848 387463665 /nfs/dbraw/zinc/46/36/65/387463665.db2.gz BLFFNRJBLSGILZ-UHFFFAOYSA-N 2 0 225.380 1.201 20 0 BDADRP C[NH+](C)CC1(C[NH2+]CC2(C)COC2)CCCC1 ZINC000352733786 387464109 /nfs/dbraw/zinc/46/41/09/387464109.db2.gz TYJLXLRYJSXHBH-UHFFFAOYSA-N 2 0 240.391 1.735 20 0 BDADRP CC[N@@H+]1CC[C@H](NCC[NH2+]C2CC2)[C@H](C)C1 ZINC000643506291 387465630 /nfs/dbraw/zinc/46/56/30/387465630.db2.gz QZFWTWMABQTAOI-YPMHNXCESA-N 2 0 225.380 1.058 20 0 BDADRP CC[C@H]([NH2+]C1CCC(CO)CC1)[C@@H]1CCC[NH2+]1 ZINC000643471300 387480384 /nfs/dbraw/zinc/48/03/84/387480384.db2.gz PKZGIRJODPOWMZ-HOAMVYINSA-N 2 0 240.391 1.658 20 0 BDADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCC[NH2+]C1CC1 ZINC000643508209 387481909 /nfs/dbraw/zinc/48/19/09/387481909.db2.gz SZTHLKXPSSMKAW-WFASDCNBSA-N 2 0 247.386 1.287 20 0 BDADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)NCC[NH2+]C1CC1 ZINC000643508060 387482013 /nfs/dbraw/zinc/48/20/13/387482013.db2.gz HQTBSHCMDFAFJV-GXTWGEPZSA-N 2 0 239.407 1.639 20 0 BDADRP C[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)C[NH+]1CCCC1 ZINC000400725154 387592057 /nfs/dbraw/zinc/59/20/57/387592057.db2.gz PEECWFMMPJGNEX-HZSPNIEDSA-N 2 0 239.407 1.448 20 0 BDADRP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc(C2CC2)c1 ZINC000422555918 387599354 /nfs/dbraw/zinc/59/93/54/387599354.db2.gz RKAMCQQHHCKROX-HUUCEWRRSA-N 2 0 246.354 1.234 20 0 BDADRP C[C@@H]1C[C@@H](C)[N@H+](CC2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000422560693 387602526 /nfs/dbraw/zinc/60/25/26/387602526.db2.gz HPJZAZIKPIZKGK-BZPMIXESSA-N 3 0 239.407 1.291 20 0 BDADRP COCCCCC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422640210 387611443 /nfs/dbraw/zinc/61/14/43/387611443.db2.gz VAZNRCBXLSFTTO-UHFFFAOYSA-N 2 0 226.364 1.631 20 0 BDADRP Fc1cccc(F)c1CC[NH2+]C1CC[NH2+]CC1 ZINC000422695381 387612276 /nfs/dbraw/zinc/61/22/76/387612276.db2.gz PTOJTADHYQDFJC-UHFFFAOYSA-N 2 0 240.297 1.849 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422715147 387629363 /nfs/dbraw/zinc/62/93/63/387629363.db2.gz RVUBJJKFDAUQQX-WUHRBBMRSA-N 2 0 228.380 1.371 20 0 BDADRP CC[N@@H+]1CC[C@@H](CN[C@@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000422695585 387612878 /nfs/dbraw/zinc/61/28/78/387612878.db2.gz QAVVDMFQRATZKP-IHRRRGAJSA-N 2 0 239.407 1.448 20 0 BDADRP CC[N@@H+]1CC[C@@H](CN[C@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000422694302 387613257 /nfs/dbraw/zinc/61/32/57/387613257.db2.gz NSQCTRMRPMOITA-FRRDWIJNSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H](Cc1ccsc1)[NH2+]CC1C[NH2+]C1 ZINC000643516038 387618512 /nfs/dbraw/zinc/61/85/12/387618512.db2.gz QZPYZXNXXZVYIY-VIFPVBQESA-N 2 0 210.346 1.488 20 0 BDADRP CCCC[N@H+](C)CCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422707204 387620573 /nfs/dbraw/zinc/62/05/73/387620573.db2.gz GSTHYIVRRXRSJG-UONOGXRCSA-N 2 0 241.423 1.696 20 0 BDADRP C[C@@H](NCC[N@H+](C)C1CCCCC1)C1C[NH2+]C1 ZINC000422708499 387622505 /nfs/dbraw/zinc/62/25/05/387622505.db2.gz XXEPYWXRSCMSNT-GFCCVEGCSA-N 2 0 239.407 1.448 20 0 BDADRP Cc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)nc1 ZINC000399680618 387566238 /nfs/dbraw/zinc/56/62/38/387566238.db2.gz QJIPFAUCDBQOJT-HIFRSBDPSA-N 2 0 247.386 1.862 20 0 BDADRP Cc1ccc(C[NH2+][C@H](C)CCC[NH3+])nc1 ZINC000400845415 387573619 /nfs/dbraw/zinc/57/36/19/387573619.db2.gz ZIJHLSDTFVCRJR-LLVKDONJSA-N 2 0 207.321 1.607 20 0 BDADRP [NH3+][C@@H](CN[C@@H]1CCCc2cccnc21)C1CC1 ZINC000643516800 387630679 /nfs/dbraw/zinc/63/06/79/387630679.db2.gz WMOHXXMXLOSBTI-QWHCGFSZSA-N 2 0 231.343 1.786 20 0 BDADRP CC(C)C[C@@H](C[NH+](C)C)N[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422717126 387631670 /nfs/dbraw/zinc/63/16/70/387631670.db2.gz OGVDQHSTVGMRHD-MELADBBJSA-N 2 0 241.423 1.693 20 0 BDADRP Cc1cn[nH]c1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000356234342 387632161 /nfs/dbraw/zinc/63/21/61/387632161.db2.gz SXVWEEWYMYEEBR-UHFFFAOYSA-N 2 0 236.363 1.492 20 0 BDADRP C[C@H](CN[C@@H](C)C[C@H](C)[NH3+])C[NH+]1CCCCC1 ZINC000422719504 387633649 /nfs/dbraw/zinc/63/36/49/387633649.db2.gz YHEVJRFIKYWPMB-RDBSUJKOSA-N 2 0 241.423 1.824 20 0 BDADRP Cc1nccn1CCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000422724546 387634205 /nfs/dbraw/zinc/63/42/05/387634205.db2.gz VYQDRJDHWBNTRY-OLZOCXBDSA-N 2 0 236.363 1.299 20 0 BDADRP CC[C@@H]1CCCCN1CC[NH2+][C@H](C)CCC[NH3+] ZINC000422727589 387635532 /nfs/dbraw/zinc/63/55/32/387635532.db2.gz HNAFLEQPNKEFQT-ZIAGYGMSSA-N 2 0 241.423 1.968 20 0 BDADRP CC[C@@H]1CCCC[N@@H+]1CCN[C@H]1CCC[C@@H]1[NH3+] ZINC000422725475 387635847 /nfs/dbraw/zinc/63/58/47/387635847.db2.gz BMGOUNKUYOTKHU-RDBSUJKOSA-N 2 0 239.407 1.720 20 0 BDADRP C[C@@H]([NH3+])CCC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000430635476 387636463 /nfs/dbraw/zinc/63/64/63/387636463.db2.gz VOLFKJZMQDISHY-MNOVXSKESA-N 2 0 241.379 1.008 20 0 BDADRP COC[C@H](C)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000124906872 387636770 /nfs/dbraw/zinc/63/67/70/387636770.db2.gz BIUYRWQLVQRLJF-LBPRGKRZSA-N 2 0 228.380 1.733 20 0 BDADRP CCCCOCCC[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422729548 387637747 /nfs/dbraw/zinc/63/77/47/387637747.db2.gz KWRQGXLSRQXWND-RYUDHWBXSA-N 2 0 216.369 1.909 20 0 BDADRP CCCC[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000422732038 387641143 /nfs/dbraw/zinc/64/11/43/387641143.db2.gz NDEIVSQBIITESC-OUAUKWLOSA-N 2 0 200.326 1.128 20 0 BDADRP C[N@H+](CCN[C@H]1CCC[C@@H]1[NH3+])C1CCCC1 ZINC000422739856 387646707 /nfs/dbraw/zinc/64/67/07/387646707.db2.gz MAWYYMCSQXKWNT-STQMWFEESA-N 2 0 225.380 1.330 20 0 BDADRP CC[C@H](NCCC[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000422745287 387648152 /nfs/dbraw/zinc/64/81/52/387648152.db2.gz LUIDTAUGZZGIBC-RYUDHWBXSA-N 2 0 213.369 1.058 20 0 BDADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCO1 ZINC000422746153 387650388 /nfs/dbraw/zinc/65/03/88/387650388.db2.gz NLCNGWLWNIGZQL-QEJZJMRPSA-N 2 0 248.370 1.714 20 0 BDADRP CC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000430795687 387651442 /nfs/dbraw/zinc/65/14/42/387651442.db2.gz HKONPHPLPALHIG-SRVKXCTJSA-N 2 0 241.379 1.055 20 0 BDADRP C[C@@H](CN[C@@H](C)c1c[nH+]ccc1N)[N@H+](C)C1CC1 ZINC000422747883 387651547 /nfs/dbraw/zinc/65/15/47/387651547.db2.gz ZSSIWNRFMGLENZ-QWRGUYRKSA-N 2 0 248.374 1.627 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc2c1OCO2 ZINC000422746366 387651656 /nfs/dbraw/zinc/65/16/56/387651656.db2.gz ZKECSZQSGDRGCC-ZJUUUORDSA-N 2 0 236.315 1.631 20 0 BDADRP CCCC[NH+]1CCC(N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000422795209 387695643 /nfs/dbraw/zinc/69/56/43/387695643.db2.gz ZZBCWBREBHPSPI-STQMWFEESA-N 2 0 241.423 1.966 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCCNc1ccccc1 ZINC000422756473 387660972 /nfs/dbraw/zinc/66/09/72/387660972.db2.gz LNWPQPFTCUAZHM-KGLIPLIRSA-N 2 0 233.359 1.958 20 0 BDADRP CSC[C@H](C)[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422756900 387661250 /nfs/dbraw/zinc/66/12/50/387661250.db2.gz MCIMTRNJFXBYKF-GARJFASQSA-N 2 0 216.394 1.988 20 0 BDADRP CC(C)[C@H](C)C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000422760688 387662541 /nfs/dbraw/zinc/66/25/41/387662541.db2.gz GYVKNACAFRDWLL-MROQNXINSA-N 2 0 228.380 1.620 20 0 BDADRP CC[C@@H]([NH2+]CCCOCCOC)[C@@H]1CCC[NH2+]1 ZINC000422788733 387663446 /nfs/dbraw/zinc/66/34/46/387663446.db2.gz RHLPSKAYKRQYMJ-OLZOCXBDSA-N 2 0 244.379 1.160 20 0 BDADRP CCC[C@H](C(=O)NC1CCC([NH3+])CC1)[NH+](C)C ZINC000422767767 387668147 /nfs/dbraw/zinc/66/81/47/387668147.db2.gz RMXVOQQTNHDZCO-HTAVTVPLSA-N 2 0 241.379 1.103 20 0 BDADRP CC[C@@H](NC1CC[NH+](CC)CC1)[C@@H]1CCC[NH2+]1 ZINC000422773715 387669633 /nfs/dbraw/zinc/66/96/33/387669633.db2.gz USQMIDRTQQWPBQ-KGLIPLIRSA-N 2 0 239.407 1.591 20 0 BDADRP CC(C)OCCC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422773241 387670280 /nfs/dbraw/zinc/67/02/80/387670280.db2.gz ZNFFDQKSURHMMS-OLZOCXBDSA-N 2 0 228.380 1.779 20 0 BDADRP COc1ccc([C@@H](C)[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000422776079 387671634 /nfs/dbraw/zinc/67/16/34/387671634.db2.gz CDAWUJICTIBYHK-GHMZBOCLSA-N 2 0 234.343 1.954 20 0 BDADRP C[NH+](C)C1CC[NH+](C[C@H](O)C(C)(C)C)CC1 ZINC000044132957 387672748 /nfs/dbraw/zinc/67/27/48/387672748.db2.gz ZHRIUQARLPMMIN-LBPRGKRZSA-N 2 0 228.380 1.419 20 0 BDADRP CSCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000362925754 387673346 /nfs/dbraw/zinc/67/33/46/387673346.db2.gz LXDWCRLSNGSDNW-JHJVBQTASA-N 2 0 240.416 1.766 20 0 BDADRP C[C@@H](CN[C@@H](C)C1C[NH2+]C1)[NH+]1CCC(C)CC1 ZINC000422778338 387674480 /nfs/dbraw/zinc/67/44/80/387674480.db2.gz HHOKMELXBBZBNV-STQMWFEESA-N 2 0 239.407 1.304 20 0 BDADRP C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000422780565 387679035 /nfs/dbraw/zinc/67/90/35/387679035.db2.gz KIZAVDJXCZAMKT-ZOBORPQBSA-N 2 0 239.407 1.589 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCCOCC1CC1 ZINC000422782942 387680098 /nfs/dbraw/zinc/68/00/98/387680098.db2.gz KHESJBUCDZRDHE-GHMZBOCLSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2CCCCC[C@@H]2[NH3+])CC[N@@H+]1C ZINC000422784078 387684810 /nfs/dbraw/zinc/68/48/10/387684810.db2.gz PFYHGSQHOQRGNX-YIYPIFLZSA-N 2 0 239.407 1.719 20 0 BDADRP C[NH+](C)C1(CN[C@@H]2CCC[C@H]2[NH3+])CCCC1 ZINC000422786439 387687377 /nfs/dbraw/zinc/68/73/77/387687377.db2.gz ORQDCXIKGGNQAZ-VXGBXAGGSA-N 2 0 225.380 1.330 20 0 BDADRP C[C@H](CN[C@@H]1CCCCC[C@@H]1[NH3+])[N@H+](C)C1CC1 ZINC000422743904 387690231 /nfs/dbraw/zinc/69/02/31/387690231.db2.gz SDDZISNOVSUJHI-KWCYVHTRSA-N 2 0 239.407 1.719 20 0 BDADRP CC[C@H]([NH2+]C[C@H](C)C[C@H](C)O)[C@@H]1CCC[NH2+]1 ZINC000422792518 387693217 /nfs/dbraw/zinc/69/32/17/387693217.db2.gz XCWWCCBTHGSHMB-VOAKCMCISA-N 2 0 228.380 1.514 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1CCCC[C@H]1O)[C@@H]1CCC[NH2+]1 ZINC000422790540 387693690 /nfs/dbraw/zinc/69/36/90/387693690.db2.gz UXZGAVJDUAELRF-XDQVBPFNSA-N 2 0 240.391 1.658 20 0 BDADRP CCCCOCC[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422791447 387693889 /nfs/dbraw/zinc/69/38/89/387693889.db2.gz YMCNWMWNCRLUDN-GHMZBOCLSA-N 2 0 202.342 1.519 20 0 BDADRP CC[C@H]([NH2+][C@H](C)CCCC[NH3+])[C@@H]1CCOC1 ZINC000422791497 387693991 /nfs/dbraw/zinc/69/39/91/387693991.db2.gz QGHHSMUVIJPSAD-UPJWGTAASA-N 2 0 228.380 1.909 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]2[NH3+])C[N@@H+]1C1CC1 ZINC000422861762 387744654 /nfs/dbraw/zinc/74/46/54/387744654.db2.gz JNNRUFPINIRTRQ-RSLMWUCJSA-N 2 0 223.364 1.081 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@H]1C[NH2+]CC[C@H]1C ZINC000422877132 387756299 /nfs/dbraw/zinc/75/62/99/387756299.db2.gz RBJJWJFLIZZDDN-MHDGFBEUSA-N 2 0 237.391 1.057 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](CCCO)C1 ZINC000452117849 387745705 /nfs/dbraw/zinc/74/57/05/387745705.db2.gz IQBMBTLROCOSAB-KGLIPLIRSA-N 2 0 240.391 1.565 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)NCC[NH+]1CCC(C)CC1 ZINC000422867007 387745990 /nfs/dbraw/zinc/74/59/90/387745990.db2.gz RNQDATOUGXOURR-CHWSQXEVSA-N 2 0 227.396 1.434 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000422865695 387747436 /nfs/dbraw/zinc/74/74/36/387747436.db2.gz PIMPWJOENGWABA-BJDJZHNGSA-N 2 0 225.380 1.327 20 0 BDADRP C[C@H](C[NH2+][C@H]1CCC[C@H]1[NH3+])N(C)c1ccccc1 ZINC000422870573 387748490 /nfs/dbraw/zinc/74/84/90/387748490.db2.gz YYHGCASHGKSWOF-YUELXQCFSA-N 2 0 247.386 1.981 20 0 BDADRP CCN(CC[NH2+][C@H](C)CCCC[NH3+])C(C)C ZINC000422875759 387752037 /nfs/dbraw/zinc/75/20/37/387752037.db2.gz DDJJNZQDZFGNOZ-CYBMUJFWSA-N 2 0 229.412 1.824 20 0 BDADRP C[C@H](N[C@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H]1CCC[NH2+]1 ZINC000422873822 387752251 /nfs/dbraw/zinc/75/22/51/387752251.db2.gz BFVOKIRQKHPTGC-XUXIUFHCSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000422873142 387753696 /nfs/dbraw/zinc/75/36/96/387753696.db2.gz KFPWOXUBBHAWJX-BZPMIXESSA-N 2 0 237.391 1.201 20 0 BDADRP CC[N@H+](CCN[C@@H](C)C[C@H](C)[NH3+])C1CC1 ZINC000422876909 387754783 /nfs/dbraw/zinc/75/47/83/387754783.db2.gz GRKZTBBYPVUQPH-QWRGUYRKSA-N 2 0 213.369 1.186 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1Cc2ccccc2O1)C1C[NH2+]C1 ZINC000422804941 387703267 /nfs/dbraw/zinc/70/32/67/387703267.db2.gz IMEBPJYTZLOXHP-ZWNOBZJWSA-N 2 0 232.327 1.188 20 0 BDADRP CO[C@H](C[NH2+][C@@H](C)CCC[NH3+])C(C)(C)C ZINC000422806611 387705117 /nfs/dbraw/zinc/70/51/17/387705117.db2.gz IMKZEYKXDCKMQL-WDEREUQCSA-N 2 0 216.369 1.765 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])C(C)(C)C ZINC000422809357 387706919 /nfs/dbraw/zinc/70/69/19/387706919.db2.gz MCHPEJRABPPMAC-IJLUTSLNSA-N 2 0 228.380 1.765 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](OC)C(C)(C)C ZINC000422811268 387707219 /nfs/dbraw/zinc/70/72/19/387707219.db2.gz OWVLHTJHKSVOFL-NEPJUHHUSA-N 2 0 246.395 1.391 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H](OC)C(C)(C)C ZINC000422811275 387707245 /nfs/dbraw/zinc/70/72/45/387707245.db2.gz OWVLHTJHKSVOFL-RYUDHWBXSA-N 2 0 246.395 1.391 20 0 BDADRP Cc1cccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])c1 ZINC000422810954 387707541 /nfs/dbraw/zinc/70/75/41/387707541.db2.gz VAKHVAHCXXZXLX-NWANDNLSSA-N 2 0 248.370 1.837 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000422810947 387708016 /nfs/dbraw/zinc/70/80/16/387708016.db2.gz SPPRGAXYSZDCFU-GMXVVIOVSA-N 2 0 234.343 1.706 20 0 BDADRP CCO[C@@]1(C)C[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000527782538 387709174 /nfs/dbraw/zinc/70/91/74/387709174.db2.gz FVUWMFVFFDIKHV-FQUUOJAGSA-N 2 0 238.375 1.770 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CC1(CCO)CCCC1 ZINC000422808913 387709725 /nfs/dbraw/zinc/70/97/25/387709725.db2.gz LNJZPKBDDGWGRL-LBPRGKRZSA-N 2 0 228.380 1.646 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000422813902 387710401 /nfs/dbraw/zinc/71/04/01/387710401.db2.gz YXEPZSZBNWFPIF-OLZOCXBDSA-N 3 0 249.402 1.964 20 0 BDADRP C[C@@H]([NH2+]CC1(c2ccccc2)CC1)C1C[NH2+]C1 ZINC000422815346 387713591 /nfs/dbraw/zinc/71/35/91/387713591.db2.gz XLDVCJXSKUIQNL-GFCCVEGCSA-N 2 0 230.355 1.916 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCSC1 ZINC000422820267 387716407 /nfs/dbraw/zinc/71/64/07/387716407.db2.gz PSSNENWBHBVAMP-UTUOFQBUSA-N 2 0 228.405 1.860 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCSC1 ZINC000422821192 387717633 /nfs/dbraw/zinc/71/76/33/387717633.db2.gz UXJSWDFBCJHCGZ-OPRDCNLKSA-N 2 0 200.351 1.351 20 0 BDADRP CC(C)C[C@H](CN[C@H]1C[NH2+]CC[C@@H]1C)[NH+](C)C ZINC000422821689 387717974 /nfs/dbraw/zinc/71/79/74/387717974.db2.gz XVVCJVKNXTZNKS-MJBXVCDLSA-N 2 0 241.423 1.550 20 0 BDADRP COC[C@@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000045655908 387718720 /nfs/dbraw/zinc/71/87/20/387718720.db2.gz CWRCDNMOCWCAQV-WODVXLOZSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])CCCC[C@@H]1O ZINC000422823366 387720594 /nfs/dbraw/zinc/72/05/94/387720594.db2.gz LJCPFGUSRQNEKY-QNWHQSFQSA-N 2 0 226.364 1.397 20 0 BDADRP C[C@H]([NH2+]C[C@]1(C)CCCC[C@H]1O)[C@@H]1CCC[NH2+]1 ZINC000422826353 387720792 /nfs/dbraw/zinc/72/07/92/387720792.db2.gz QVOCRZRFVRNYCS-FQUUOJAGSA-N 2 0 240.391 1.658 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@]1(C)CCCC[C@H]1O ZINC000422824856 387721082 /nfs/dbraw/zinc/72/10/82/387721082.db2.gz OSNUEOOCFVQDTC-UPJWGTAASA-N 2 0 228.380 1.645 20 0 BDADRP C[C@H](C[NH+]1CCCCC1)N[C@@H](C)C1C[NH2+]C1 ZINC000422829707 387723972 /nfs/dbraw/zinc/72/39/72/387723972.db2.gz HSHTVWODOPKVJY-NEPJUHHUSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H](N[C@@H]1CCC[NH2+]CC1)[C@@H]1CCCC[NH2+]1 ZINC000643523069 387724164 /nfs/dbraw/zinc/72/41/64/387724164.db2.gz UXUCXIAEXMBRQL-UPJWGTAASA-N 2 0 225.380 1.249 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000452071836 387726074 /nfs/dbraw/zinc/72/60/74/387726074.db2.gz SIQVKLFOPMJSFY-STQMWFEESA-N 2 0 228.380 1.421 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000422834282 387726199 /nfs/dbraw/zinc/72/61/99/387726199.db2.gz NREZZSVEPVHBOF-BZPMIXESSA-N 2 0 237.391 1.058 20 0 BDADRP C[NH+](C)CCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127722135 387726625 /nfs/dbraw/zinc/72/66/25/387726625.db2.gz VUALUSZOYMUJJE-QWHCGFSZSA-N 2 0 225.380 1.155 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000422835446 387727725 /nfs/dbraw/zinc/72/77/25/387727725.db2.gz IYKBCSLNJTUEBV-FRRDWIJNSA-N 3 0 227.396 1.576 20 0 BDADRP COC1CCC(C[NH2+][C@H](C)CCC[NH3+])CC1 ZINC000422839784 387728570 /nfs/dbraw/zinc/72/85/70/387728570.db2.gz RHKZEASAGXPCLY-PNESKVBLSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1nccs1 ZINC000422839818 387729331 /nfs/dbraw/zinc/72/93/31/387729331.db2.gz RMFKMTXRUZIBNA-GHMZBOCLSA-N 2 0 239.388 1.663 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCCc2c1cnn2C ZINC000422838554 387729357 /nfs/dbraw/zinc/72/93/57/387729357.db2.gz XMAQHUMKIQWQLF-JBLDHEPKSA-N 2 0 236.363 1.513 20 0 BDADRP C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)[C@@H]1CCC[NH2+]1 ZINC000422841176 387732644 /nfs/dbraw/zinc/73/26/44/387732644.db2.gz VKHMEIBIUJSVBG-CRWXNKLISA-N 2 0 239.407 1.589 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CCCS1 ZINC000422878481 387755834 /nfs/dbraw/zinc/75/58/34/387755834.db2.gz TWWNFQHZKKZRAG-LPEHRKFASA-N 2 0 202.367 1.597 20 0 BDADRP Cc1cccc(O[C@H](C)C[NH2+][C@@H](C)C2C[NH2+]C2)c1 ZINC000422789343 387732970 /nfs/dbraw/zinc/73/29/70/387732970.db2.gz OEDAQOHNDVQIFW-OLZOCXBDSA-N 2 0 248.370 1.960 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC[C@@H]2C)C1(C)C ZINC000422849387 387735653 /nfs/dbraw/zinc/73/56/53/387735653.db2.gz LTTRTUCAXRRJHO-ZDEQEGDKSA-N 2 0 240.391 1.778 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@H](C)N1CCC[C@@H](C)C1 ZINC000422855564 387737597 /nfs/dbraw/zinc/73/75/97/387737597.db2.gz FCWKSFFXUFLEFR-MCIONIFRSA-N 2 0 241.423 1.824 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2C)C1 ZINC000643524444 387737767 /nfs/dbraw/zinc/73/77/67/387737767.db2.gz FSQJFAUZUMRQPA-RVMXOQNASA-N 2 0 226.364 1.532 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000643524233 387738873 /nfs/dbraw/zinc/73/88/73/387738873.db2.gz XBFLSVBUTRCPKP-ZDEQEGDKSA-N 2 0 226.364 1.804 20 0 BDADRP C[C@H]([NH3+])C[NH2+][C@@H](C)CCc1n[nH]c2ccccc21 ZINC000643527371 387762443 /nfs/dbraw/zinc/76/24/43/387762443.db2.gz LRMOMODDCXJDJM-QWRGUYRKSA-N 2 0 246.358 1.821 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)[NH3+])C12CCCC2 ZINC000643527160 387763362 /nfs/dbraw/zinc/76/33/62/387763362.db2.gz KFVSNHAONOYAKJ-QJPTWQEYSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@H](NCC[NH+]1[C@H](C)CCC[C@H]1C)C1C[NH2+]C1 ZINC000422892432 387764407 /nfs/dbraw/zinc/76/44/07/387764407.db2.gz YNYLHUIDMYPZCY-UPJWGTAASA-N 2 0 239.407 1.447 20 0 BDADRP CC(C)CO[C@@H]1C[C@H]([NH2+]C[C@H](C)[NH3+])C1(C)C ZINC000643527522 387765732 /nfs/dbraw/zinc/76/57/32/387765732.db2.gz NWPUWFPYVHMYCU-SDDRHHMPSA-N 2 0 228.380 1.763 20 0 BDADRP CC[C@H]([NH2+]CC[C@@H](C)OC)[C@@H]1CCC[NH2+]1 ZINC000422908853 387768299 /nfs/dbraw/zinc/76/82/99/387768299.db2.gz ZQFNEOFPMCPMEV-WOPDTQHZSA-N 2 0 214.353 1.532 20 0 BDADRP CCN1CCCC[C@H]1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000422911857 387770780 /nfs/dbraw/zinc/77/07/80/387770780.db2.gz UOQUHBNBBUOJHS-KBPBESRZSA-N 2 0 241.423 1.968 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422915042 387772872 /nfs/dbraw/zinc/77/28/72/387772872.db2.gz AMJMKPUFFJMUPM-RWMBFGLXSA-N 2 0 228.380 1.515 20 0 BDADRP CC(C)N1C[C@@H]([NH2+][C@H](C)CCCC[NH3+])CC1=O ZINC000422918987 387775355 /nfs/dbraw/zinc/77/53/55/387775355.db2.gz JIWZYBISKGCPBW-NEPJUHHUSA-N 2 0 241.379 1.103 20 0 BDADRP C[C@H]([NH2+]CCc1cccc(F)c1F)C1C[NH2+]C1 ZINC000422961246 387812295 /nfs/dbraw/zinc/81/22/95/387812295.db2.gz YTCZWDQJRLLCSU-VIFPVBQESA-N 2 0 240.297 1.705 20 0 BDADRP CC[C@H](CN[C@H]1C[NH2+]CC[C@H]1C)[NH+]1CCCC1 ZINC000422961229 387812533 /nfs/dbraw/zinc/81/25/33/387812533.db2.gz BEEJXBVQOQOPTQ-MCIONIFRSA-N 2 0 239.407 1.448 20 0 BDADRP CCc1nc(CC[NH2+][C@H](C)C[C@@H](C)[NH3+])cs1 ZINC000422901178 387785380 /nfs/dbraw/zinc/78/53/80/387785380.db2.gz KNULCRXEBGQPEF-NXEZZACHSA-N 2 0 241.404 1.963 20 0 BDADRP CCC[N@@H+]1CC[C@H](CN[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000422978536 387788957 /nfs/dbraw/zinc/78/89/57/387788957.db2.gz ZNMGWQDNXFYPGQ-JHJVBQTASA-N 2 0 225.380 1.188 20 0 BDADRP CCC[N@@H+]1CC[C@H](CN[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000422978594 387789197 /nfs/dbraw/zinc/78/91/97/387789197.db2.gz ZSQZQKNYOKHCSR-MCIONIFRSA-N 2 0 239.407 1.306 20 0 BDADRP CC[C@H](CCO)[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422981444 387791852 /nfs/dbraw/zinc/79/18/52/387791852.db2.gz SVCUTSXMPUNFJN-TUAOUCFPSA-N 2 0 214.353 1.125 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+]C2CCC(C[NH3+])CC2)CCO1 ZINC000422985705 387795168 /nfs/dbraw/zinc/79/51/68/387795168.db2.gz FVXUBVPRVQVBRV-ZIHBUVQPSA-N 2 0 240.391 1.909 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC1(CCO)CCC1 ZINC000422989602 387797950 /nfs/dbraw/zinc/79/79/50/387797950.db2.gz LYPUMYBOFIITRO-STQMWFEESA-N 2 0 240.391 1.646 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCc1ccc(O)cc1 ZINC000422988266 387798648 /nfs/dbraw/zinc/79/86/48/387798648.db2.gz KCHBFYSXIZYKPU-QWHCGFSZSA-N 2 0 220.316 1.404 20 0 BDADRP CCOCCC1(C[NH2+][C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000423002795 387801972 /nfs/dbraw/zinc/80/19/72/387801972.db2.gz JSEDVMCTARTOLN-VXGBXAGGSA-N 2 0 226.364 1.663 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCCc1ccccn1 ZINC000422994529 387803057 /nfs/dbraw/zinc/80/30/57/387803057.db2.gz IBIXWCCNRSHPKI-UKRRQHHQSA-N 2 0 247.386 1.992 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC(C)(C)CCCO ZINC000422999801 387804481 /nfs/dbraw/zinc/80/44/81/387804481.db2.gz YLGKIUNACRPLDV-WDEREUQCSA-N 2 0 216.369 1.501 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)CCO1 ZINC000422999334 387804940 /nfs/dbraw/zinc/80/49/40/387804940.db2.gz XSQVMBIGPQHPDI-DGAVXFQQSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCCc1ccccn1 ZINC000423000039 387804997 /nfs/dbraw/zinc/80/49/97/387804997.db2.gz ULKDPPQFERMXHI-RYUDHWBXSA-N 2 0 221.348 1.730 20 0 BDADRP CC(C)O[C@@]1(C)C[C@H]1[NH2+][C@H]1CCN(C)C[C@@H]1C ZINC000527998236 387805803 /nfs/dbraw/zinc/80/58/03/387805803.db2.gz KXDQACVWTAULRE-FQUUOJAGSA-N 2 0 240.391 1.872 20 0 BDADRP CCOCCC1(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000422999018 387805941 /nfs/dbraw/zinc/80/59/41/387805941.db2.gz DLTGEXYOBNWBJB-CHWSQXEVSA-N 2 0 240.391 1.923 20 0 BDADRP CC(C)O[C@@]1(C)C[C@H]1[NH2+][C@H]1CCN(C)C[C@H]1C ZINC000527998237 387806262 /nfs/dbraw/zinc/80/62/62/387806262.db2.gz KXDQACVWTAULRE-RQJABVFESA-N 2 0 240.391 1.872 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC(C)(C)CCO ZINC000423002630 387806548 /nfs/dbraw/zinc/80/65/48/387806548.db2.gz GHZITGUZFMRKTN-RYUDHWBXSA-N 2 0 228.380 1.373 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1(C)CCCC1 ZINC000422951888 387806590 /nfs/dbraw/zinc/80/65/90/387806590.db2.gz AQOQOUBPVPMZGV-AVGNSLFASA-N 2 0 240.391 1.909 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000423001997 387808282 /nfs/dbraw/zinc/80/82/82/387808282.db2.gz FNGYGIOXNILQJO-XDQVBPFNSA-N 2 0 240.391 1.515 20 0 BDADRP COc1cccc(CCC[NH2+][C@@H](C)C2C[NH2+]C2)c1 ZINC000422949254 387808304 /nfs/dbraw/zinc/80/83/04/387808304.db2.gz UOZCPOXYDZQZJC-LBPRGKRZSA-N 2 0 248.370 1.825 20 0 BDADRP CC[N@H+](CCN[C@@H]1CC[NH2+]CC[C@@H]1C)C(C)C ZINC000422885943 387759825 /nfs/dbraw/zinc/75/98/25/387759825.db2.gz ZPAWDGGXORLVIB-UONOGXRCSA-N 2 0 241.423 1.694 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)[NH3+])C12CCC2 ZINC000643526968 387761008 /nfs/dbraw/zinc/76/10/08/387761008.db2.gz IAUOIHKNGCPNDX-GMTAPVOTSA-N 2 0 212.337 1.271 20 0 BDADRP CC[N@H+](CCN[C@H]1CC[NH2+]CC[C@@H]1C)C(C)C ZINC000422885941 387761298 /nfs/dbraw/zinc/76/12/98/387761298.db2.gz ZPAWDGGXORLVIB-KBPBESRZSA-N 2 0 241.423 1.694 20 0 BDADRP COCCC1(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)CCC1 ZINC000422886860 387761564 /nfs/dbraw/zinc/76/15/64/387761564.db2.gz JUPXUBSBDGGJNW-OLZOCXBDSA-N 2 0 240.391 1.923 20 0 BDADRP CC[C@](C)(O)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422972688 387820838 /nfs/dbraw/zinc/82/08/38/387820838.db2.gz AHJRHHLFFIRHQA-MCIGGMRASA-N 2 0 214.353 1.255 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422972622 387820961 /nfs/dbraw/zinc/82/09/61/387820961.db2.gz AATUPBSKVCDZBU-MXWKQRLJSA-N 2 0 200.326 1.007 20 0 BDADRP CCC(O)(CC)C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422973659 387823793 /nfs/dbraw/zinc/82/37/93/387823793.db2.gz PFAWALWHMUAVDR-ZJUUUORDSA-N 2 0 200.326 1.007 20 0 BDADRP COc1cccc(CC[NH2+][C@H](C)[C@H]2CC[NH2+]C2)n1 ZINC000423003618 387825585 /nfs/dbraw/zinc/82/55/85/387825585.db2.gz IGZUEUWJEUJNLM-NEPJUHHUSA-N 2 0 249.358 1.220 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CC1(CCO)CCCCC1 ZINC000423005897 387828653 /nfs/dbraw/zinc/82/86/53/387828653.db2.gz NMYVLEPIQFLQJY-STQMWFEESA-N 2 0 240.391 1.789 20 0 BDADRP C[C@@H]([NH2+]CC1(CCO)CCCCC1)C1C[NH2+]C1 ZINC000423007755 387829038 /nfs/dbraw/zinc/82/90/38/387829038.db2.gz RMDBIZOXYAJVNM-GFCCVEGCSA-N 2 0 240.391 1.517 20 0 BDADRP CCC[C@@H](CCO)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423005211 387829254 /nfs/dbraw/zinc/82/92/54/387829254.db2.gz LVRGVUPQFUATLO-FRRDWIJNSA-N 2 0 228.380 1.515 20 0 BDADRP CC(C)CN1CCC[C@@H]1C[NH2+][C@H](C)CCC[NH3+] ZINC000423005396 387829390 /nfs/dbraw/zinc/82/93/90/387829390.db2.gz RWQMUXTWTQSRDX-ZIAGYGMSSA-N 2 0 241.423 1.824 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCc2cn(C)cn2)CC[N@@H+]1C ZINC000313313860 387829513 /nfs/dbraw/zinc/82/95/13/387829513.db2.gz ZSGGOFHFLBSNCA-RYUDHWBXSA-N 2 0 236.363 1.035 20 0 BDADRP CC[C@H](C[C@H](C)CO)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423007121 387829615 /nfs/dbraw/zinc/82/96/15/387829615.db2.gz PVGOYGPEICNXID-LOWDOPEQSA-N 2 0 228.380 1.514 20 0 BDADRP COc1cccnc1N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000528026254 387829748 /nfs/dbraw/zinc/82/97/48/387829748.db2.gz NWOXKBXNGXDUNK-AWEZNQCLSA-N 2 0 247.342 1.622 20 0 BDADRP C[C@H](CO)CCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000423008619 387832323 /nfs/dbraw/zinc/83/23/23/387832323.db2.gz ARMVYETVUNYDCY-HIFPTAJRSA-N 2 0 228.380 1.502 20 0 BDADRP C[C@](O)(C[NH2+][C@H]1CCC[C@@H]1C[NH3+])C(F)(F)F ZINC000423011335 387833070 /nfs/dbraw/zinc/83/30/70/387833070.db2.gz IQIOMKMACSITBD-VGMNWLOBSA-N 2 0 240.269 1.017 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H](O)C1)[C@H]1CCCC[NH2+]1 ZINC000423010101 387834363 /nfs/dbraw/zinc/83/43/63/387834363.db2.gz WYYTUBNNADSIGZ-IGQOVBAYSA-N 2 0 240.391 1.658 20 0 BDADRP CCc1noc(C)c1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442752675 387835002 /nfs/dbraw/zinc/83/50/02/387835002.db2.gz FGTAVSBSJXBWSL-GXSJLCMTSA-N 2 0 237.347 1.715 20 0 BDADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423013772 387835942 /nfs/dbraw/zinc/83/59/42/387835942.db2.gz GRGAIKQMQUPUJV-IRCOFANPSA-N 2 0 214.353 1.517 20 0 BDADRP CC[C@H]([NH2+]CCC[C@H](C)CO)[C@@H]1CCC[NH2+]1 ZINC000423012794 387837091 /nfs/dbraw/zinc/83/70/91/387837091.db2.gz LKZZENXQXZXWFH-AVGNSLFASA-N 2 0 228.380 1.515 20 0 BDADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423015353 387838822 /nfs/dbraw/zinc/83/88/22/387838822.db2.gz KMSXIKURVNJKTD-FDYHWXHSSA-N 2 0 226.364 1.532 20 0 BDADRP CC[C@H]([NH2+][C@H](C)CCC[NH3+])[C@@H](O)C(F)(F)F ZINC000423015966 387838942 /nfs/dbraw/zinc/83/89/42/387838942.db2.gz ARQZSJISWJPFDL-HRDYMLBCSA-N 2 0 242.285 1.405 20 0 BDADRP C[C@H](CCO)C1(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])CCC1 ZINC000423015003 387839006 /nfs/dbraw/zinc/83/90/06/387839006.db2.gz JUOJNPMOBHREIS-FRRDWIJNSA-N 2 0 240.391 1.645 20 0 BDADRP C[C@@H](CO)CCC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423014878 387839084 /nfs/dbraw/zinc/83/90/84/387839084.db2.gz PZQXYSRMPNJULF-IJLUTSLNSA-N 2 0 214.353 1.125 20 0 BDADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000423018726 387841436 /nfs/dbraw/zinc/84/14/36/387841436.db2.gz RZLZJCGRXWLNDJ-RFQIPJPRSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H]1[C@@H]([NH2+]C2CCC([NH3+])CC2)CCCN1C ZINC000423026201 387844522 /nfs/dbraw/zinc/84/45/22/387844522.db2.gz AYNIZMOYWOHTFY-XVSSEFHLSA-N 2 0 225.380 1.329 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000423031536 387845279 /nfs/dbraw/zinc/84/52/79/387845279.db2.gz LGIRFAKMHDCHKU-JHJVBQTASA-N 2 0 226.364 1.391 20 0 BDADRP COCCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000423029439 387846003 /nfs/dbraw/zinc/84/60/03/387846003.db2.gz AHGVUDLLOPBZSI-WDEREUQCSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1CCCCS1 ZINC000423032370 387848642 /nfs/dbraw/zinc/84/86/42/387848642.db2.gz MHCRAJMVTXDBEE-HBNTYKKESA-N 2 0 216.394 1.988 20 0 BDADRP C[C@@H]1[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[N@@H+]1C ZINC000423034160 387849013 /nfs/dbraw/zinc/84/90/13/387849013.db2.gz PMIFKRZYGLBJDQ-SYCZCVCYSA-N 2 0 237.391 1.342 20 0 BDADRP FC(F)(F)OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423073723 387874011 /nfs/dbraw/zinc/87/40/11/387874011.db2.gz SAYFPGUGBFXYSG-JVHMLUBASA-N 2 0 238.253 1.395 20 0 BDADRP C[NH+](C)CC1(CN[C@H]2CCC[C@H]2[NH3+])CCCC1 ZINC000423035458 387850653 /nfs/dbraw/zinc/85/06/53/387850653.db2.gz JNJDQIJOKYENEL-OLZOCXBDSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CCOC1)[C@H]1CCC[NH2+]1 ZINC000423036294 387850687 /nfs/dbraw/zinc/85/06/87/387850687.db2.gz TUDWYYXZFVCVKT-IJLUTSLNSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H]([NH2+]C[C@@H](O)CCc1ccccc1)C1C[NH2+]C1 ZINC000423038389 387852814 /nfs/dbraw/zinc/85/28/14/387852814.db2.gz YPMYQUNTEZFXKD-WFASDCNBSA-N 2 0 248.370 1.178 20 0 BDADRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)[C@H]1CCCO1 ZINC000643535393 387855416 /nfs/dbraw/zinc/85/54/16/387855416.db2.gz LOOFSFZOZPOSMK-TUAOUCFPSA-N 2 0 224.348 1.286 20 0 BDADRP C/C=C/C[C@H](CO)[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423045323 387856246 /nfs/dbraw/zinc/85/62/46/387856246.db2.gz BZPBOJBOEJMYJP-VMZVSEJASA-N 2 0 200.326 1.029 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H](C)C(F)(F)F ZINC000423051895 387859237 /nfs/dbraw/zinc/85/92/37/387859237.db2.gz OOGKCFGRXOOMBW-BIIVOSGPSA-N 2 0 212.259 1.900 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])N[C@H](C)C[NH+]1CCCCCC1 ZINC000423050914 387860277 /nfs/dbraw/zinc/86/02/77/387860277.db2.gz MHTUIFXOHKPYGV-BFHYXJOUSA-N 2 0 241.423 1.966 20 0 BDADRP C1CC1C([NH2+][C@H]1CC12CC[NH2+]CC2)C1CC1 ZINC000643534734 387860385 /nfs/dbraw/zinc/86/03/85/387860385.db2.gz BEOJZANFWOVLTN-LBPRGKRZSA-N 2 0 220.360 1.907 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@H](CO)Cc1ccccc1 ZINC000423056782 387862963 /nfs/dbraw/zinc/86/29/63/387862963.db2.gz GGZRUESVYYMBOJ-BZPMIXESSA-N 2 0 236.359 1.305 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC1(CO)CCCC1 ZINC000423057597 387863419 /nfs/dbraw/zinc/86/34/19/387863419.db2.gz ZRBHUZOHJKMCGK-QWRGUYRKSA-N 2 0 214.353 1.255 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@H]12)[C@@H]1CCC[NH2+]1 ZINC000423061660 387864871 /nfs/dbraw/zinc/86/48/71/387864871.db2.gz RDNVZIQOMOXLEX-OBPIAQAESA-N 2 0 224.348 1.284 20 0 BDADRP CO[C@H](C)C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423061530 387865009 /nfs/dbraw/zinc/86/50/09/387865009.db2.gz RCACSCYVTULACC-OUAUKWLOSA-N 2 0 200.326 1.271 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@H]12)[C@H]1CCC[NH2+]1 ZINC000423061656 387865259 /nfs/dbraw/zinc/86/52/59/387865259.db2.gz RDNVZIQOMOXLEX-CLPYTZEMSA-N 2 0 224.348 1.284 20 0 BDADRP C[C@@H](N[C@@H]1CC12CC[NH2+]CC2)[C@H]1CCCC[NH2+]1 ZINC000643535850 387865338 /nfs/dbraw/zinc/86/53/38/387865338.db2.gz JWDGDHCQNIULNB-JHJVBQTASA-N 2 0 237.391 1.249 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643535898 387866385 /nfs/dbraw/zinc/86/63/85/387866385.db2.gz KVUGDAPPDVMNDP-AVGNSLFASA-N 3 0 237.391 1.236 20 0 BDADRP C[NH+](C)C1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000423063189 387866795 /nfs/dbraw/zinc/86/67/95/387866795.db2.gz VXEOODWSIWIPSU-FUNVUKJBSA-N 2 0 237.391 1.343 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+][C@H]2CC23CC[NH2+]CC3)C1 ZINC000643536434 387867149 /nfs/dbraw/zinc/86/71/49/387867149.db2.gz QUMFGXVTODFCPO-UPJWGTAASA-N 2 0 238.375 1.676 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)[C@@H]1CCC[NH2+]1 ZINC000423062142 387867350 /nfs/dbraw/zinc/86/73/50/387867350.db2.gz MGUSJRLDQOMPPK-RQJABVFESA-N 2 0 240.391 1.658 20 0 BDADRP CO[C@H]1CC[C@@H]([NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000423066430 387869308 /nfs/dbraw/zinc/86/93/08/387869308.db2.gz DOQZEWSXLYRVNA-TUUUFIMRSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CCC[C@@H]1CCO ZINC000423066546 387869636 /nfs/dbraw/zinc/86/96/36/387869636.db2.gz XAJHJONNXFLHIG-MQYQWHSLSA-N 2 0 240.391 1.515 20 0 BDADRP CC1(C)[C@@H](O)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423066159 387869811 /nfs/dbraw/zinc/86/98/11/387869811.db2.gz WFBXNLWWRQGKNF-CFKCVQHJSA-N 2 0 224.348 1.018 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000423068004 387870210 /nfs/dbraw/zinc/87/02/10/387870210.db2.gz JEBGUOBKIARBBH-OUAUKWLOSA-N 2 0 202.342 1.517 20 0 BDADRP CCOC[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])C(C)C ZINC000423071149 387872033 /nfs/dbraw/zinc/87/20/33/387872033.db2.gz OCOVSXUUSMLGHR-SRVKXCTJSA-N 2 0 216.369 1.763 20 0 BDADRP CC1(C)CCC[N@H+](CCN[C@H]2CCC[C@H]2[NH3+])C1 ZINC000423070515 387872580 /nfs/dbraw/zinc/87/25/80/387872580.db2.gz CYLYFIVCZFSKIJ-OLZOCXBDSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000423071863 387872717 /nfs/dbraw/zinc/87/27/17/387872717.db2.gz GCNVRHCNGMCGJL-SCRDCRAPSA-N 2 0 239.407 1.719 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CCc1ccccc1O ZINC000422970522 387819069 /nfs/dbraw/zinc/81/90/69/387819069.db2.gz GNJMOBWRXMWQGW-LLVKDONJSA-N 2 0 222.332 1.652 20 0 BDADRP FC(F)O[C@@H]1CCC[C@H]1[NH2+]C1CC[NH2+]CC1 ZINC000423110457 387892714 /nfs/dbraw/zinc/89/27/14/387892714.db2.gz IDYPFRMFKLDMIF-NXEZZACHSA-N 2 0 234.290 1.488 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423109697 387892864 /nfs/dbraw/zinc/89/28/64/387892864.db2.gz NZXIYQRIBCLMJB-XQHKEYJVSA-N 2 0 226.364 1.389 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000423112172 387895665 /nfs/dbraw/zinc/89/56/65/387895665.db2.gz RNMPJWGVGJHGRW-RGOKHQFPSA-N 2 0 218.291 1.747 20 0 BDADRP Cc1cccc(CCC[NH2+][C@H]2CCC[C@@H]2[NH3+])n1 ZINC000423112827 387896109 /nfs/dbraw/zinc/89/61/09/387896109.db2.gz YBPCIVIGPDDNGU-KBPBESRZSA-N 2 0 233.359 1.792 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CCC1(F)CCC1 ZINC000423115248 387896529 /nfs/dbraw/zinc/89/65/29/387896529.db2.gz XOGSPMBLOKTZHP-LLVKDONJSA-N 2 0 232.343 1.612 20 0 BDADRP C[C@H](O)C[NH+]1CCC(Cc2nccn2C)CC1 ZINC000194953178 387898976 /nfs/dbraw/zinc/89/89/76/387898976.db2.gz DUFPYYIFDSVZFJ-NSHDSACASA-N 2 0 237.347 1.055 20 0 BDADRP CSC1(C[NH2+][C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000423079812 387876151 /nfs/dbraw/zinc/87/61/51/387876151.db2.gz BAGIZXDIIQSSIX-RKDXNWHRSA-N 2 0 200.351 1.351 20 0 BDADRP [NH3+]CCCC[NH2+]Cc1cc(F)c(F)cc1F ZINC000236210414 387877541 /nfs/dbraw/zinc/87/75/41/387877541.db2.gz WFVOEOHUXWMIKG-UHFFFAOYSA-N 2 0 232.249 1.932 20 0 BDADRP CC[C@@H]([NH2+]C[C@H]1CCSC1)[C@@H]1CCC[NH2+]1 ZINC000423084806 387878057 /nfs/dbraw/zinc/87/80/57/387878057.db2.gz IZCZVYVLYZQVSZ-UTUOFQBUSA-N 2 0 228.405 1.860 20 0 BDADRP COC(=O)[C@H]1CC[C@@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])C1 ZINC000423084305 387878835 /nfs/dbraw/zinc/87/88/35/387878835.db2.gz HQGUDRDPGSSQMT-CHWFTXMASA-N 2 0 228.336 1.044 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCCCCO ZINC000423082862 387879468 /nfs/dbraw/zinc/87/94/68/387879468.db2.gz DXCYNHBRRVJDJQ-NWDGAFQWSA-N 2 0 214.353 1.399 20 0 BDADRP CCSCCC[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000423117902 387898456 /nfs/dbraw/zinc/89/84/56/387898456.db2.gz XTIWEDPJXXDWRD-GRYCIOLGSA-N 2 0 246.420 1.472 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCSC1)[C@@H]1CCCC[NH2+]1 ZINC000423088991 387880525 /nfs/dbraw/zinc/88/05/25/387880525.db2.gz UCTBKQQUKXKCMU-WOPDTQHZSA-N 2 0 228.405 1.860 20 0 BDADRP C[C@@H](O)CC(C)(C)C[NH2+][C@H](C)CCCC[NH3+] ZINC000393689808 387888133 /nfs/dbraw/zinc/88/81/33/387888133.db2.gz DNKQZPWOZJUMGF-VXGBXAGGSA-N 2 0 230.396 1.891 20 0 BDADRP CC[C@@H]([NH2+]C[C@H](CO)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423141224 387918870 /nfs/dbraw/zinc/91/88/70/387918870.db2.gz OPMNXTGGGZZYRC-UPJWGTAASA-N 2 0 226.364 1.125 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCCCF ZINC000423142027 387919107 /nfs/dbraw/zinc/91/91/07/387919107.db2.gz SZCSARRRDRBECL-GHMZBOCLSA-N 2 0 202.317 1.986 20 0 BDADRP CCC[N@@H+]1CCC[C@H]1CN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423116116 387899342 /nfs/dbraw/zinc/89/93/42/387899342.db2.gz ZPJMGJAPMFLHLB-IHRRRGAJSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H]([NH2+]CCc1cccc2[nH]ccc21)C1C[NH2+]C1 ZINC000423117590 387899483 /nfs/dbraw/zinc/89/94/83/387899483.db2.gz WDZIKBMHIWNUMY-LLVKDONJSA-N 2 0 243.354 1.908 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2cc[nH]c2n1 ZINC000423120191 387901307 /nfs/dbraw/zinc/90/13/07/387901307.db2.gz FWZKDRHMFKKQPL-AAEUAGOBSA-N 2 0 244.342 1.780 20 0 BDADRP COCC(C)(C)C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000423123873 387902072 /nfs/dbraw/zinc/90/20/72/387902072.db2.gz FJMVBDSFKNJEFZ-NEPJUHHUSA-N 2 0 228.380 1.909 20 0 BDADRP C1CC1C([NH2+][C@H]1CCC[NH2+]CC1)C1CC1 ZINC000168709767 387905009 /nfs/dbraw/zinc/90/50/09/387905009.db2.gz HGOMFZNNIHBKKV-LBPRGKRZSA-N 2 0 208.349 1.907 20 0 BDADRP [NH3+]CC1CCC([NH2+]CCCCF)CC1 ZINC000423125549 387905427 /nfs/dbraw/zinc/90/54/27/387905427.db2.gz ADJCDVJMIYDFFX-UHFFFAOYSA-N 2 0 202.317 1.843 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1COc2ccccc21)[C@H]1CC[NH2+]C1 ZINC000423125960 387905508 /nfs/dbraw/zinc/90/55/08/387905508.db2.gz RAXTUHUCWIZRQS-RWMBFGLXSA-N 2 0 246.354 1.750 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@H]1COc2ccccc21 ZINC000423129656 387908163 /nfs/dbraw/zinc/90/81/63/387908163.db2.gz XMZXCTKTZBSKJN-CYZMBNFOSA-N 2 0 232.327 1.632 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)[C@@H]1CCC[NH2+]1 ZINC000423130811 387908322 /nfs/dbraw/zinc/90/83/22/387908322.db2.gz SEDNGZQCUDNCLZ-ZDCRXTMVSA-N 2 0 200.301 1.607 20 0 BDADRP C[C@H]([NH3+])c1ccc(C(=O)N[C@H](C[NH3+])C2CC2)cc1 ZINC000514668013 387908917 /nfs/dbraw/zinc/90/89/17/387908917.db2.gz RHZJSPINWIISGZ-TVQRCGJNSA-N 2 0 247.342 1.173 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)C1CC1 ZINC000423133445 387912610 /nfs/dbraw/zinc/91/26/10/387912610.db2.gz KMNCWPMVABKWOE-CYZMBNFOSA-N 2 0 226.364 1.389 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)N[C@@H]1CCC[C@H]1[NH3+] ZINC000423144673 387919847 /nfs/dbraw/zinc/91/98/47/387919847.db2.gz ZJDCDAMNVSYKNE-YNEHKIRRSA-N 2 0 227.396 1.576 20 0 BDADRP CCC[N@H+](CC)C[C@@H](C)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000423139461 387915552 /nfs/dbraw/zinc/91/55/52/387915552.db2.gz KTNVFEDCEVRGQQ-FRRDWIJNSA-N 2 0 229.412 1.822 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)N[C@H](C)C[C@@H](C)[NH3+] ZINC000423139464 387916080 /nfs/dbraw/zinc/91/60/80/387916080.db2.gz KTNVFEDCEVRGQQ-UPJWGTAASA-N 2 0 229.412 1.822 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](CO)C1CC1 ZINC000423141851 387917605 /nfs/dbraw/zinc/91/76/05/387917605.db2.gz RZXXFTOMSNTETG-PWSUYJOCSA-N 2 0 214.353 1.112 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000423163797 387917771 /nfs/dbraw/zinc/91/77/71/387917771.db2.gz NKCVDOAHHVYEAK-WUHRBBMRSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCCC[C@H]1O)[C@H]1CCC[NH2+]1 ZINC000423151017 387930478 /nfs/dbraw/zinc/93/04/78/387930478.db2.gz CJPFSDRMOHPKLP-YVECIDJPSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@@H](CC(C)(C)O)[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423153073 387932221 /nfs/dbraw/zinc/93/22/21/387932221.db2.gz GAYVGDNKEFPNLM-SDDRHHMPSA-N 2 0 228.380 1.656 20 0 BDADRP CC[C@@H]([NH2+]CCC(C)(C)CO)[C@@H]1CCC[NH2+]1 ZINC000423155638 387934495 /nfs/dbraw/zinc/93/44/95/387934495.db2.gz JPXBBUVABRIIAK-NEPJUHHUSA-N 2 0 228.380 1.515 20 0 BDADRP O[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423157105 387936957 /nfs/dbraw/zinc/93/69/57/387936957.db2.gz AHKJAXNJDIJJKY-FPYNETTCSA-N 2 0 224.348 1.020 20 0 BDADRP COCC1(C[NH2+][C@@H](C)C2C[NH2+]C2)CCCCC1 ZINC000423143723 387920007 /nfs/dbraw/zinc/92/00/07/387920007.db2.gz XOXWERBVHFPLOF-LBPRGKRZSA-N 2 0 240.391 1.781 20 0 BDADRP CCC[N@H+](CC)C[C@@H](C)N[C@H]1CCC[C@H]1[NH3+] ZINC000423144670 387920207 /nfs/dbraw/zinc/92/02/07/387920207.db2.gz ZJDCDAMNVSYKNE-UPJWGTAASA-N 2 0 227.396 1.576 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](CO)C1CCCC1 ZINC000423144275 387920692 /nfs/dbraw/zinc/92/06/92/387920692.db2.gz YONFHGBUSGLXOT-HOSYDEDBSA-N 2 0 214.353 1.253 20 0 BDADRP C[C@@H]([NH2+]C[C@H](CO)C1CC1)[C@H]1CCCC[NH2+]1 ZINC000423142770 387920754 /nfs/dbraw/zinc/92/07/54/387920754.db2.gz VWJLEPXZGXRVHP-RAIGVLPGSA-N 2 0 226.364 1.125 20 0 BDADRP C[C@H](CCO)CC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000423146088 387921780 /nfs/dbraw/zinc/92/17/80/387921780.db2.gz NYGHVQLTIXOAES-YNEHKIRRSA-N 2 0 228.380 1.373 20 0 BDADRP C[C@H](CCO)CC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423146086 387923482 /nfs/dbraw/zinc/92/34/82/387923482.db2.gz NYGHVQLTIXOAES-RWMBFGLXSA-N 2 0 228.380 1.373 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCC[C@H]1F)[C@H]1CC[NH2+]C1 ZINC000423147475 387924646 /nfs/dbraw/zinc/92/46/46/387924646.db2.gz SECPRWXSCBYXCF-YTWAJWBKSA-N 2 0 200.301 1.465 20 0 BDADRP CC[C@@H]([NH2+][C@H](C)CCCCO)[C@@H]1CCC[NH2+]1 ZINC000423150246 387926826 /nfs/dbraw/zinc/92/68/26/387926826.db2.gz BIPIUBGHQBRGOX-UPJWGTAASA-N 2 0 228.380 1.658 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCC[C@H]1F ZINC000423149169 387927052 /nfs/dbraw/zinc/92/70/52/387927052.db2.gz XHOQXBIRCFNMEK-AXFHLTTASA-N 2 0 218.316 1.221 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCCC1CCOCC1 ZINC000423148569 387927410 /nfs/dbraw/zinc/92/74/10/387927410.db2.gz VYXOZUMWQCGOMV-VXGBXAGGSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)CCCCO)[C@@H]1CCC[NH2+]1 ZINC000423149699 387928207 /nfs/dbraw/zinc/92/82/07/387928207.db2.gz AXLIXYVZLMKXNI-TUAOUCFPSA-N 2 0 214.353 1.268 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCCC1CCOCC1 ZINC000423148568 387928509 /nfs/dbraw/zinc/92/85/09/387928509.db2.gz VYXOZUMWQCGOMV-RYUDHWBXSA-N 2 0 228.380 1.909 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000423167069 387951770 /nfs/dbraw/zinc/95/17/70/387951770.db2.gz WDZOKLLONBHSJY-ZOBORPQBSA-N 2 0 240.391 1.645 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCOCC(F)F ZINC000424283814 387952026 /nfs/dbraw/zinc/95/20/26/387952026.db2.gz CGNNADCONNOOKH-RKDXNWHRSA-N 2 0 222.279 1.128 20 0 BDADRP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H](C)C1C[NH2+]C1 ZINC000423167173 387952656 /nfs/dbraw/zinc/95/26/56/387952656.db2.gz DPKVMPHWOGNWQT-KMUNFCNLSA-N 2 0 246.354 1.496 20 0 BDADRP CC1(C)CCC[N@@H+]1CCN[C@H]1CCC[C@@H]1[NH3+] ZINC000423168338 387953089 /nfs/dbraw/zinc/95/30/89/387953089.db2.gz UKWBBGMRVCDJME-RYUDHWBXSA-N 2 0 225.380 1.330 20 0 BDADRP COc1cccc2c1C[C@H]([NH2+][C@@H](C)CCC[NH3+])C2 ZINC000423168977 387954017 /nfs/dbraw/zinc/95/40/17/387954017.db2.gz IHLMAACBVYIPEV-WCQYABFASA-N 2 0 248.370 1.879 20 0 BDADRP Cc1ncsc1CC[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424293029 387954417 /nfs/dbraw/zinc/95/44/17/387954417.db2.gz PGMGTLATBYOSRE-GHMZBOCLSA-N 2 0 239.388 1.854 20 0 BDADRP COc1cccc2c1C[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])C2 ZINC000423170004 387954694 /nfs/dbraw/zinc/95/46/94/387954694.db2.gz KZLKOMMEDWTRQT-NQBHXWOUSA-N 2 0 248.370 1.878 20 0 BDADRP COc1cccc2c1C[C@H]([NH2+][C@H](C)CCC[NH3+])C2 ZINC000423168976 387955668 /nfs/dbraw/zinc/95/56/68/387955668.db2.gz IHLMAACBVYIPEV-DGCLKSJQSA-N 2 0 248.370 1.879 20 0 BDADRP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](CCC[NH3+])COC ZINC000423158841 387938674 /nfs/dbraw/zinc/93/86/74/387938674.db2.gz DOEFTEUNHCIAAX-YNEHKIRRSA-N 2 0 244.379 1.288 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]C[C@H]2CCCO2)c2ccccc21 ZINC000423157981 387939369 /nfs/dbraw/zinc/93/93/69/387939369.db2.gz NJNJLDKYGPFIOA-SWHYSGLUSA-N 2 0 232.327 1.900 20 0 BDADRP CC1(C)CCC[N@@H+]1CCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000423160402 387940753 /nfs/dbraw/zinc/94/07/53/387940753.db2.gz HCTHRZFOHAOHSK-OLZOCXBDSA-N 2 0 239.407 1.578 20 0 BDADRP Cc1ccc(CC[NH2+][C@H](C)C[C@H](C)[NH3+])nc1 ZINC000423162388 387942942 /nfs/dbraw/zinc/94/29/42/387942942.db2.gz KYWBNHQTKWTRKJ-NWDGAFQWSA-N 2 0 221.348 1.648 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000423161761 387942946 /nfs/dbraw/zinc/94/29/46/387942946.db2.gz JNYMTTYZXZOIHJ-RYUDHWBXSA-N 3 0 227.396 1.576 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1C[C@@H](O)C1 ZINC000423161638 387943393 /nfs/dbraw/zinc/94/33/93/387943393.db2.gz JLYBHDWGDOQXEB-XQHKEYJVSA-N 2 0 226.364 1.410 20 0 BDADRP C[NH2+]CCC(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424252831 387944602 /nfs/dbraw/zinc/94/46/02/387944602.db2.gz ZNZVORAHXLGNJH-UHFFFAOYSA-N 2 0 221.304 1.002 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C2CCC([NH3+])CC2)c2nccn21 ZINC000329257046 387944740 /nfs/dbraw/zinc/94/47/40/387944740.db2.gz DUPKSXVPPMPCLD-HBIQZDMRSA-N 2 0 234.347 1.748 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCOCC1CCCC1 ZINC000423163022 387946403 /nfs/dbraw/zinc/94/64/03/387946403.db2.gz MEBCXHXGCCKHET-CHWSQXEVSA-N 2 0 226.364 1.663 20 0 BDADRP CCN(C)C(=O)[C@@H]([NH2+][C@H](C)C[C@H](C)[NH3+])C(C)C ZINC000423163986 387946454 /nfs/dbraw/zinc/94/64/54/387946454.db2.gz WIQCOMIWYQCKDX-TUAOUCFPSA-N 2 0 243.395 1.205 20 0 BDADRP C[N@H+](CCOc1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC000226434398 387946765 /nfs/dbraw/zinc/94/67/65/387946765.db2.gz VZSHMLDXRAMFKG-AWEZNQCLSA-N 2 0 248.370 1.997 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])C12CCC2 ZINC000423165224 387947366 /nfs/dbraw/zinc/94/73/66/387947366.db2.gz AUXQUBCEJSMQHF-WHOHXGKFSA-N 2 0 224.348 1.413 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H](O)C1CCC1 ZINC000423165717 387947755 /nfs/dbraw/zinc/94/77/55/387947755.db2.gz QEVVMHUCPSCKPZ-KGYLQXTDSA-N 2 0 226.364 1.125 20 0 BDADRP COC(=O)CC1CC([NH2+]C[C@H]2CCCN2C)C1 ZINC000424271215 387948196 /nfs/dbraw/zinc/94/81/96/387948196.db2.gz RPYQLVFGVMVHDP-HTAVTVPLSA-N 2 0 240.347 1.012 20 0 BDADRP C[C@@H](NCC[N@@H+]1CCCC1(C)C)[C@@H]1CCC[NH2+]1 ZINC000423170393 387956422 /nfs/dbraw/zinc/95/64/22/387956422.db2.gz XYFMNDQJRZYKBO-OLZOCXBDSA-N 2 0 239.407 1.591 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCCO2)C1 ZINC000245452908 387949543 /nfs/dbraw/zinc/94/95/43/387949543.db2.gz QUMBPHPURSNYRJ-QWHCGFSZSA-N 2 0 226.364 1.439 20 0 BDADRP Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])nc1C ZINC000423165900 387949748 /nfs/dbraw/zinc/94/97/48/387949748.db2.gz BRRXGZOUJRHHKK-QWRGUYRKSA-N 2 0 221.348 1.914 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000423166368 387949839 /nfs/dbraw/zinc/94/98/39/387949839.db2.gz CLNAHPQYCFETSQ-VOAKCMCISA-N 2 0 226.364 1.519 20 0 BDADRP Cc1cnn(CC[NH2+][C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000424282804 387950133 /nfs/dbraw/zinc/95/01/33/387950133.db2.gz APVWHFVKYQJEJS-VXGBXAGGSA-N 2 0 222.336 1.051 20 0 BDADRP COCC1(C[NH2+][C@H]2CCC[C@H]2C[NH3+])CCCC1 ZINC000423166185 387950221 /nfs/dbraw/zinc/95/02/21/387950221.db2.gz QUVRZTLDGUOGBF-STQMWFEESA-N 2 0 240.391 1.910 20 0 BDADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)[C@@H]1C[C@H]1C ZINC000321140180 387951690 /nfs/dbraw/zinc/95/16/90/387951690.db2.gz VCZYUSSGCRETCA-HZSPNIEDSA-N 2 0 239.407 1.258 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2([NH3+])CCCCC2)[C@@H](C)O1 ZINC000423176605 387963008 /nfs/dbraw/zinc/96/30/08/387963008.db2.gz HGDWZIFVHBZAJI-IJLUTSLNSA-N 2 0 226.364 1.804 20 0 BDADRP C[C@@H](CC(C)(C)C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423177921 387964040 /nfs/dbraw/zinc/96/40/40/387964040.db2.gz FFDTTZBIFOIKBR-ZDUSSCGKSA-N 2 0 241.423 1.696 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@H]1CCO ZINC000245581645 387964206 /nfs/dbraw/zinc/96/42/06/387964206.db2.gz CPJFBVIWRCCDNV-KGLIPLIRSA-N 2 0 240.391 1.708 20 0 BDADRP C[C@H](CC(C)(C)C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423177920 387965042 /nfs/dbraw/zinc/96/50/42/387965042.db2.gz FFDTTZBIFOIKBR-CYBMUJFWSA-N 2 0 241.423 1.696 20 0 BDADRP CCC[C@H]([NH2+]CCC[NH3+])c1cccnc1 ZINC000423181083 387966637 /nfs/dbraw/zinc/96/66/37/387966637.db2.gz FIRIZCPTPNZKMK-LBPRGKRZSA-N 2 0 207.321 1.861 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]CC[C@H]2C)CS1 ZINC000423183549 387968556 /nfs/dbraw/zinc/96/85/56/387968556.db2.gz MOPVDDHFZMDUNR-WISYIIOYSA-N 2 0 228.405 1.858 20 0 BDADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCC[NH3+] ZINC000423183826 387969475 /nfs/dbraw/zinc/96/94/75/387969475.db2.gz HWDZNGNJJCWFQO-YPMHNXCESA-N 2 0 222.332 1.701 20 0 BDADRP COCC[C@H](C)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423171410 387956945 /nfs/dbraw/zinc/95/69/45/387956945.db2.gz OITYWNWIDJJVBT-XQQFMLRXSA-N 2 0 228.380 1.779 20 0 BDADRP COc1cccc2c1C[C@H]([NH2+][C@H]1CCC[C@H]1[NH3+])C2 ZINC000423170909 387957084 /nfs/dbraw/zinc/95/70/84/387957084.db2.gz NDEKUZZXBKJJLT-BNOWGMLFSA-N 2 0 246.354 1.632 20 0 BDADRP CC(C)CCOCC[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424336381 387979167 /nfs/dbraw/zinc/97/91/67/387979167.db2.gz QGBQFUMQVKCFGZ-CHWSQXEVSA-N 2 0 228.380 1.909 20 0 BDADRP [NH3+]Cc1ccc(-c2noc([C@@H]3C[C@@H]3[NH3+])n2)cc1 ZINC000424338126 387980909 /nfs/dbraw/zinc/98/09/09/387980909.db2.gz MUWXMFNIJWMVES-ZJUUUORDSA-N 2 0 230.271 1.010 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)[C@@H](O)C(C)C ZINC000423190924 387975357 /nfs/dbraw/zinc/97/53/57/387975357.db2.gz SERDGWXZLGSZSY-CYDGBPFRSA-N 2 0 228.380 1.512 20 0 BDADRP CC(C)[C@H]([NH2+]CCC[NH3+])c1ccc(F)cn1 ZINC000423190051 387975973 /nfs/dbraw/zinc/97/59/73/387975973.db2.gz NHASDESRMITYOD-LBPRGKRZSA-N 2 0 225.311 1.856 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423202602 387987562 /nfs/dbraw/zinc/98/75/62/387987562.db2.gz BCUPMWWTDATXNN-IHRRRGAJSA-N 2 0 240.391 1.781 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000423202253 387988089 /nfs/dbraw/zinc/98/80/89/387988089.db2.gz QLBJZNBLAIEPCB-MELADBBJSA-N 2 0 240.391 1.781 20 0 BDADRP c1cc2c(o1)CCC[C@H]2[NH2+]CCN1CC[NH2+]CC1 ZINC000423201129 387988478 /nfs/dbraw/zinc/98/84/78/387988478.db2.gz HPVDGHSBAKBMRI-CYBMUJFWSA-N 2 0 249.358 1.152 20 0 BDADRP C[C@H]([NH2+]CC1(C)CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000400518999 387995870 /nfs/dbraw/zinc/99/58/70/387995870.db2.gz GWGLIBNUILZUST-RYUDHWBXSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]1CC[C@H](C)C[N@H+]1CCOCC[NH3+] ZINC000086435902 135084174 /nfs/dbraw/zinc/08/41/74/135084174.db2.gz CYAZNSCOQXMAGU-WDEREUQCSA-N 2 0 200.326 1.082 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000424368148 387992592 /nfs/dbraw/zinc/99/25/92/387992592.db2.gz AREMZWHLJUZQPC-QPHKQPEJSA-N 2 0 224.348 1.127 20 0 BDADRP CCN1C[C@@H](C)[C@@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000423211341 387994724 /nfs/dbraw/zinc/99/47/24/387994724.db2.gz GXHBGHIOBSGKTJ-XVSSEFHLSA-N 3 0 225.380 1.186 20 0 BDADRP C[C@@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]1 ZINC000423213594 387995368 /nfs/dbraw/zinc/99/53/68/387995368.db2.gz KAVDDINJOACRDF-QNWHQSFQSA-N 3 0 225.380 1.105 20 0 BDADRP [NH3+]CCC[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000423196073 387982166 /nfs/dbraw/zinc/98/21/66/387982166.db2.gz UQEHDPCIXVSFOZ-CYBMUJFWSA-N 2 0 219.332 1.861 20 0 BDADRP CCC[N@@H+]1CC[C@H](CN[C@@H](C)c2ccncn2)C1 ZINC000453090654 387982488 /nfs/dbraw/zinc/98/24/88/387982488.db2.gz KQIVCKKOCCUEGX-QWHCGFSZSA-N 2 0 248.374 1.859 20 0 BDADRP C[C@H]([NH2+]CCCn1cccn1)[C@H]1CCC[NH2+]1 ZINC000400507688 387983435 /nfs/dbraw/zinc/98/34/35/387983435.db2.gz ICJKDDYCTUVTJM-NWDGAFQWSA-N 2 0 222.336 1.003 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+]CCC[NH2+]C)C12CCC2 ZINC000423197676 387983775 /nfs/dbraw/zinc/98/37/75/387983775.db2.gz ANWMBBUFCMRWMQ-NEPJUHHUSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCCOC1 ZINC000245805208 387984018 /nfs/dbraw/zinc/98/40/18/387984018.db2.gz CAXILOIFHYMSSX-FVCCEPFGSA-N 2 0 226.364 1.484 20 0 BDADRP CNC(=O)C[C@@H](C)[NH2+]CC1([NH3+])CCCCCC1 ZINC000423200515 387985695 /nfs/dbraw/zinc/98/56/95/387985695.db2.gz MHKJMTFCXNXSGR-LLVKDONJSA-N 2 0 241.379 1.152 20 0 BDADRP C[NH2+]CCC[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000423199315 387986733 /nfs/dbraw/zinc/98/67/33/387986733.db2.gz JQUJDVXILLNSPE-NWDGAFQWSA-N 2 0 228.380 1.778 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2CCCC[C@H]2[NH3+])C[N@@H+]1C1CC1 ZINC000424371336 387996977 /nfs/dbraw/zinc/99/69/77/387996977.db2.gz FUPJNEBRRXIZKG-ZMJPVWNMSA-N 2 0 237.391 1.471 20 0 BDADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCCO2)C1 ZINC000246115984 388010956 /nfs/dbraw/zinc/01/09/56/388010956.db2.gz CMBPLRFARNKODR-UONOGXRCSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]1 ZINC000423213598 387998284 /nfs/dbraw/zinc/99/82/84/387998284.db2.gz KAVDDINJOACRDF-WUHRBBMRSA-N 2 0 225.380 1.105 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000424375411 387999273 /nfs/dbraw/zinc/99/92/73/387999273.db2.gz NBTJCQZACCZERZ-IGQOVBAYSA-N 3 0 237.391 1.473 20 0 BDADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423216597 387999610 /nfs/dbraw/zinc/99/96/10/387999610.db2.gz RWTGPVVEYPTMTG-IHRRRGAJSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@@H]1CCC[NH2+]C1 ZINC000423220288 388001252 /nfs/dbraw/zinc/00/12/52/388001252.db2.gz XWTRNTLBWXVTME-SYQHCUMBSA-N 2 0 239.407 1.304 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000246015476 388003178 /nfs/dbraw/zinc/00/31/78/388003178.db2.gz SSCZUFZLJGZCTH-AVGNSLFASA-N 2 0 226.364 1.364 20 0 BDADRP CC[C@H]([NH2+]CC[C@H](C)[NH3+])c1ccncc1 ZINC000423222866 388003525 /nfs/dbraw/zinc/00/35/25/388003525.db2.gz CZWOKWCOLFGSRJ-JQWIXIFHSA-N 2 0 207.321 1.860 20 0 BDADRP C[C@H](Cc1cnccn1)[NH2+][C@@H]1CCCN(C)[C@@H]1C ZINC000453195195 388006200 /nfs/dbraw/zinc/00/62/00/388006200.db2.gz PENRRDRYOSRWKG-YRGRVCCFSA-N 2 0 248.374 1.480 20 0 BDADRP C[C@H]([NH3+])CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000423225284 388008413 /nfs/dbraw/zinc/00/84/13/388008413.db2.gz MBHVUGDSAHSBBK-WUHRBBMRSA-N 2 0 225.380 1.186 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423227568 388010599 /nfs/dbraw/zinc/01/05/99/388010599.db2.gz WFOWKAMUCQZZTI-UMSGYPCISA-N 2 0 238.375 1.661 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC[C@H]1CCC[NH2+]C1 ZINC000423214252 387996679 /nfs/dbraw/zinc/99/66/79/387996679.db2.gz ONFHYTGPMPNHSH-DYEKYZERSA-N 2 0 237.391 1.058 20 0 BDADRP C[C@H](NC[C@H]1CCC[NH2+]C1)[C@@H]1CCCC[NH2+]1 ZINC000423214864 387996822 /nfs/dbraw/zinc/99/68/22/387996822.db2.gz PUGYRBNEUYADPU-AVGNSLFASA-N 2 0 225.380 1.106 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000423227567 388012163 /nfs/dbraw/zinc/01/21/63/388012163.db2.gz WFOWKAMUCQZZTI-RVMXOQNASA-N 2 0 238.375 1.661 20 0 BDADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC[C@H](C)[NH3+])[C@@H]1C ZINC000423227825 388013137 /nfs/dbraw/zinc/01/31/37/388013137.db2.gz XEAXPEJAXKXSKK-USZNOCQGSA-N 2 0 242.363 1.291 20 0 BDADRP C[NH2+]CCN[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000423228078 388013473 /nfs/dbraw/zinc/01/34/73/388013473.db2.gz YCCAZDZJTJOUQN-ZFWWWQNUSA-N 2 0 247.386 1.458 20 0 BDADRP Cc1ccnc([C@@H](C)[NH2+]CC[C@@H](C)[NH3+])c1 ZINC000423228287 388013930 /nfs/dbraw/zinc/01/39/30/388013930.db2.gz YZLPMYNUXSNLKS-GHMZBOCLSA-N 2 0 207.321 1.778 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@H]1NC[C@H]([NH3+])c1ccccc1 ZINC000423233610 388018077 /nfs/dbraw/zinc/01/80/77/388018077.db2.gz DVEWCZDDYQWVNT-KWCYVHTRSA-N 2 0 233.359 1.226 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@@H]([NH3+])c1ccccc1 ZINC000423249335 388032312 /nfs/dbraw/zinc/03/23/12/388032312.db2.gz ORRZXNSMHJUKDK-ZNMIVQPWSA-N 2 0 247.386 1.794 20 0 BDADRP CC[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cnn(C)c1 ZINC000423250880 388034142 /nfs/dbraw/zinc/03/41/42/388034142.db2.gz RDMLMKPVAGDFIQ-AAEUAGOBSA-N 2 0 236.363 1.460 20 0 BDADRP C(C[C@H]1CC[NH2+]C1)[NH2+][C@@H]1CCC12CCC2 ZINC000423254532 388034992 /nfs/dbraw/zinc/03/49/92/388034992.db2.gz YHWSQRRMSJCYOP-VXGBXAGGSA-N 2 0 208.349 1.908 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](N)c1ccccc1 ZINC000423254165 388035453 /nfs/dbraw/zinc/03/54/53/388035453.db2.gz XIUMDQIRFFUDMU-TZMCWYRMSA-N 2 0 235.375 1.794 20 0 BDADRP CCC[N@H+](CC)CCN[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000156794499 388035702 /nfs/dbraw/zinc/03/57/02/388035702.db2.gz UCSIHKNYUFXXSP-UONOGXRCSA-N 2 0 241.423 1.648 20 0 BDADRP COCC[C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423254469 388036154 /nfs/dbraw/zinc/03/61/54/388036154.db2.gz YDEJNGAPSJMDOV-HZSPNIEDSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)CC[N@@H+]1C ZINC000423255112 388037587 /nfs/dbraw/zinc/03/75/87/388037587.db2.gz AUOQVPMLUWKPOI-HZSPNIEDSA-N 3 0 239.407 1.448 20 0 BDADRP CC(C)C[C@@H](C[NH3+])N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423258613 388038415 /nfs/dbraw/zinc/03/84/15/388038415.db2.gz CCOILPDVXYPRCN-SRVKXCTJSA-N 2 0 213.369 1.090 20 0 BDADRP COC1CC([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000446882573 388042143 /nfs/dbraw/zinc/04/21/43/388042143.db2.gz AMLSSSKXIWSEHS-UHFFFAOYSA-N 2 0 238.375 1.628 20 0 BDADRP COC[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)C1CCCC1 ZINC000423263255 388042382 /nfs/dbraw/zinc/04/23/82/388042382.db2.gz ANFOEDWXLZCSFB-QWHCGFSZSA-N 2 0 228.380 1.765 20 0 BDADRP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)Cc1ccoc1 ZINC000423264219 388042425 /nfs/dbraw/zinc/04/24/25/388042425.db2.gz BTJYTUBRIIUMAR-ZYHUDNBSSA-N 2 0 210.321 1.784 20 0 BDADRP CC(C)SCC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000261527406 135151729 /nfs/dbraw/zinc/15/17/29/135151729.db2.gz AUCNTZVSKBYIFJ-QWRGUYRKSA-N 2 0 216.394 1.845 20 0 BDADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@H](C[NH3+])CC(C)C)C1 ZINC000423265356 388044088 /nfs/dbraw/zinc/04/40/88/388044088.db2.gz QVGYGPYEOYFBRB-RWMBFGLXSA-N 2 0 227.396 1.290 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)CN1C1CC1 ZINC000423245462 388028627 /nfs/dbraw/zinc/02/86/27/388028627.db2.gz IYHLTHHCWBZAOJ-AGIUHOORSA-N 2 0 237.391 1.201 20 0 BDADRP C[C@@H](Cc1ccoc1)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423247916 388030197 /nfs/dbraw/zinc/03/01/97/388030197.db2.gz MEIUMHOIPFGERX-RYUDHWBXSA-N 2 0 222.332 1.800 20 0 BDADRP CC[C@H](NC[C@@H]([NH3+])c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423249307 388031392 /nfs/dbraw/zinc/03/13/92/388031392.db2.gz OPFZOBFNLSCNRV-ILXRZTDVSA-N 2 0 247.386 1.807 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@@H]1C[NH3+])c1ccncc1F ZINC000423271859 388050912 /nfs/dbraw/zinc/05/09/12/388050912.db2.gz JMMWOUQKIYNZGT-CWSCBRNRSA-N 2 0 237.322 1.999 20 0 BDADRP C[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])[C@@H]1CCC[NH2+]1 ZINC000423274090 388052761 /nfs/dbraw/zinc/05/27/61/388052761.db2.gz JUGYDUFAUOPDCR-ZDEQEGDKSA-N 2 0 225.380 1.234 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000423273875 388052976 /nfs/dbraw/zinc/05/29/76/388052976.db2.gz LBFMCVAVJZCHRW-AAVRWANBSA-N 2 0 239.407 1.432 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCC[NH2+]1 ZINC000423275215 388056166 /nfs/dbraw/zinc/05/61/66/388056166.db2.gz MXMAMTUOJHTFFA-IHRRRGAJSA-N 3 0 239.407 1.496 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423275557 388057153 /nfs/dbraw/zinc/05/71/53/388057153.db2.gz LTNPUVOKDLCLKZ-IRCOFANPSA-N 2 0 214.353 1.517 20 0 BDADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H](C)C[NH2+]C ZINC000423281961 388063438 /nfs/dbraw/zinc/06/34/38/388063438.db2.gz VZVJINYIGPCMGU-VXGBXAGGSA-N 2 0 243.395 1.079 20 0 BDADRP C[C@@H]1CN(C)C[C@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453398162 388070703 /nfs/dbraw/zinc/07/07/03/388070703.db2.gz KGMQPTSGPNHIGX-TZMCWYRMSA-N 2 0 239.407 1.401 20 0 BDADRP CC(C)O[C@H]1C[C@H]([NH2+]CC(C)(C)[NH3+])C1(C)C ZINC000423287788 388072832 /nfs/dbraw/zinc/07/28/32/388072832.db2.gz OOMBPVNZSCXLPL-QWRGUYRKSA-N 2 0 228.380 1.905 20 0 BDADRP CCOC[C@H]1CCC[C@H]1[NH2+]CC(C)(C)[NH3+] ZINC000423288825 388073289 /nfs/dbraw/zinc/07/32/89/388073289.db2.gz VGGRVOKBQRSJTF-GHMZBOCLSA-N 2 0 214.353 1.519 20 0 BDADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC(C)(C)[NH3+])[C@@H]1C ZINC000423287718 388073595 /nfs/dbraw/zinc/07/35/95/388073595.db2.gz NZTVBTHPKOKROI-OUAUKWLOSA-N 2 0 242.363 1.291 20 0 BDADRP CCC([NH3+])(CC)C[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000423288722 388073625 /nfs/dbraw/zinc/07/36/25/388073625.db2.gz UQTJQGSUMJYFGG-WDEREUQCSA-N 2 0 214.353 1.661 20 0 BDADRP CC(C)([NH3+])C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000423289324 388074376 /nfs/dbraw/zinc/07/43/76/388074376.db2.gz WTQBLWRGYPYSTG-TUAOUCFPSA-N 2 0 238.375 1.661 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCc1ccccn1 ZINC000084217587 388074800 /nfs/dbraw/zinc/07/48/00/388074800.db2.gz TZXRQPSWHSXFOB-YPMHNXCESA-N 2 0 219.332 1.341 20 0 BDADRP CCOC[C@H](C)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453404793 388075129 /nfs/dbraw/zinc/07/51/29/388075129.db2.gz PXNOBIJNQSNGHM-LBPRGKRZSA-N 2 0 228.380 1.875 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCOC1CCCC1 ZINC000084222067 388075719 /nfs/dbraw/zinc/07/57/19/388075719.db2.gz NIHQFJTZPGDDDD-YPMHNXCESA-N 2 0 226.364 1.663 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@H]1C[NH2+]CC[C@@H]1C ZINC000423293575 388075911 /nfs/dbraw/zinc/07/59/11/388075911.db2.gz AFFUOLVTRRQTKA-TUAOUCFPSA-N 2 0 213.369 1.092 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cc1 ZINC000423291639 388076437 /nfs/dbraw/zinc/07/64/37/388076437.db2.gz JERALCMCHDZGTP-QJPTWQEYSA-N 3 0 235.375 1.922 20 0 BDADRP CC[C@H]([NH2+]C[C@@H](C)C[NH3+])c1cnn(C)c1 ZINC000423294291 388077078 /nfs/dbraw/zinc/07/70/78/388077078.db2.gz BSWMFZKMHTVUAW-ONGXEEELSA-N 2 0 210.325 1.056 20 0 BDADRP COCCN(C)CC[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000084469341 388077693 /nfs/dbraw/zinc/07/76/93/388077693.db2.gz HAFXRAXICKSMKV-STQMWFEESA-N 2 0 242.407 1.979 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000423297367 388079488 /nfs/dbraw/zinc/07/94/88/388079488.db2.gz KAJOYTAACUWRRW-LPWJVIDDSA-N 2 0 238.375 1.519 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000423298223 388079711 /nfs/dbraw/zinc/07/97/11/388079711.db2.gz NRVCNWSCHPCZNY-QJPTWQEYSA-N 2 0 213.369 1.044 20 0 BDADRP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000453430596 388081652 /nfs/dbraw/zinc/08/16/52/388081652.db2.gz RAIMPTGXIIWEFF-JHJVBQTASA-N 2 0 240.391 1.731 20 0 BDADRP C[NH+](C)CCC[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000085670698 388093311 /nfs/dbraw/zinc/09/33/11/388093311.db2.gz TTYRODJTALHHOS-UPJWGTAASA-N 2 0 240.391 1.731 20 0 BDADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)[C@H]1CCCC[NH2+]1 ZINC000333286309 388101074 /nfs/dbraw/zinc/10/10/74/388101074.db2.gz NKBQXYZOLQSCIT-IKWCTNDRSA-N 3 0 225.380 1.377 20 0 BDADRP CC[C@H]([NH2+]C[C@H](C)C[NH2+]C)c1cnn(C)c1 ZINC000423271273 388049694 /nfs/dbraw/zinc/04/96/94/388049694.db2.gz IVBZWYJBKLRQAF-PWSUYJOCSA-N 2 0 224.352 1.316 20 0 BDADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NC[C@H](C)[NH+](C)C ZINC000449331744 388174534 /nfs/dbraw/zinc/17/45/34/388174534.db2.gz APPIRZNNMXJWOL-WCQYABFASA-N 2 0 249.358 1.061 20 0 BDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)CCCC[NH3+] ZINC000646012635 388124428 /nfs/dbraw/zinc/12/44/28/388124428.db2.gz UNAKMBKXFTZGOU-GFCCVEGCSA-N 2 0 241.379 1.106 20 0 BDADRP COCC1CCC([NH2+]C[C@H]2CCCN2C)CC1 ZINC000449099854 388142157 /nfs/dbraw/zinc/14/21/57/388142157.db2.gz ABKWGZGHELWPIG-JXQTWKCFSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)=CC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103422 388143337 /nfs/dbraw/zinc/14/33/37/388143337.db2.gz FQFVQQSGYWASBE-UHFFFAOYSA-N 2 0 238.375 1.749 20 0 BDADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)CC[NH3+] ZINC000449109970 388143537 /nfs/dbraw/zinc/14/35/37/388143537.db2.gz ZWIPGUJDKYSAQB-UHFFFAOYSA-N 2 0 241.379 1.058 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000449138669 388147959 /nfs/dbraw/zinc/14/79/59/388147959.db2.gz ISHHXUXEHWZSTA-NEPJUHHUSA-N 2 0 243.395 1.206 20 0 BDADRP COCC[C@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000166567922 388254922 /nfs/dbraw/zinc/25/49/22/388254922.db2.gz SRCBFKQHQDVCIW-LBPRGKRZSA-N 2 0 216.369 1.731 20 0 BDADRP C[C@@H]1[C@H](CO)CC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000488750517 388194337 /nfs/dbraw/zinc/19/43/37/388194337.db2.gz UMCUWDLYZCPCGF-KGLIPLIRSA-N 2 0 240.391 1.565 20 0 BDADRP C[C@@H](CNC1CC[NH+](C(C)(C)C)CC1)[NH+](C)C ZINC000449557385 388232095 /nfs/dbraw/zinc/23/20/95/388232095.db2.gz QLROQGRTYAOIDX-LBPRGKRZSA-N 2 0 241.423 1.789 20 0 BDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H](C)CCC[NH3+] ZINC000449574542 388236972 /nfs/dbraw/zinc/23/69/72/388236972.db2.gz XMZQBMHADMYVND-GHMZBOCLSA-N 2 0 243.395 1.254 20 0 BDADRP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000449578483 388237023 /nfs/dbraw/zinc/23/70/23/388237023.db2.gz MWZXCTLPIRUPOF-LPWJVIDDSA-N 2 0 226.364 1.077 20 0 BDADRP C[C@H](C[NH2+]C/C=C\c1ccncc1)C[NH+](C)C ZINC000491597210 388304808 /nfs/dbraw/zinc/30/48/08/388304808.db2.gz SHBFLHBNTHGQME-DSYXLKISSA-N 2 0 233.359 1.882 20 0 BDADRP COC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)C(C)C ZINC000336662761 388261412 /nfs/dbraw/zinc/26/14/12/388261412.db2.gz CPKPLUPSNKASLC-TUAOUCFPSA-N 2 0 214.353 1.245 20 0 BDADRP Cc1cncc(CN2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000300050117 388347000 /nfs/dbraw/zinc/34/70/00/388347000.db2.gz XIZKWSCYUIOJBY-ZYHUDNBSSA-N 2 0 205.305 1.169 20 0 BDADRP COCC[C@@H](C)[NH2+]C[C@H]1CCCN1CCOC ZINC000163431129 388361681 /nfs/dbraw/zinc/36/16/81/388361681.db2.gz BFOQBLCIRWHZCE-CHWSQXEVSA-N 2 0 244.379 1.112 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCCn2cccn2)C1 ZINC000163723197 388367014 /nfs/dbraw/zinc/36/70/14/388367014.db2.gz WKOXTYDTZYMVKW-NWDGAFQWSA-N 2 0 222.336 1.133 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@](C)(O)C1 ZINC000228219649 388379799 /nfs/dbraw/zinc/37/97/99/388379799.db2.gz TVGZXACRYXXBJO-ZIAGYGMSSA-N 2 0 240.391 1.708 20 0 BDADRP CCCC[C@@H]([NH3+])C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000236748663 388382549 /nfs/dbraw/zinc/38/25/49/388382549.db2.gz ATPLIFOTZCYCBF-VXGBXAGGSA-N 2 0 241.379 1.010 20 0 BDADRP [NH3+]Cc1cccc(NC(=O)CC2(C[NH3+])CC2)c1 ZINC000646579802 388388352 /nfs/dbraw/zinc/38/83/52/388388352.db2.gz PXZHPKHJZLJYLE-UHFFFAOYSA-N 2 0 233.315 1.213 20 0 BDADRP C[NH2+]Cc1ccccc1NC(=O)[C@H](C)C[NH2+]C ZINC000237253260 388392201 /nfs/dbraw/zinc/39/22/01/388392201.db2.gz WBCSRNIIADXMLQ-SNVBAGLBSA-N 2 0 235.331 1.200 20 0 BDADRP CCC[C@@H](C)C[N@H+](C)CCOCC[NH3+] ZINC000300769816 388392555 /nfs/dbraw/zinc/39/25/55/388392555.db2.gz AQBQPEMTSZUWEN-LLVKDONJSA-N 2 0 202.342 1.330 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000300861954 388399679 /nfs/dbraw/zinc/39/96/79/388399679.db2.gz PIUBPIKVNSPJER-TUAOUCFPSA-N 2 0 226.364 1.389 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000394078301 388450711 /nfs/dbraw/zinc/45/07/11/388450711.db2.gz WVNPFRLJWLKJKS-TUKIKUTGSA-N 2 0 248.370 1.985 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000336679179 388462478 /nfs/dbraw/zinc/46/24/78/388462478.db2.gz FTFHPAYQSNAHKM-VWYCJHECSA-N 2 0 200.326 1.271 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@H](C)CCC[NH3+] ZINC000336711060 388466894 /nfs/dbraw/zinc/46/68/94/388466894.db2.gz UGCWMOYPYZWPOX-GFCCVEGCSA-N 3 0 215.385 1.435 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCN2CCCC[C@@H]12 ZINC000336722197 388469059 /nfs/dbraw/zinc/46/90/59/388469059.db2.gz STUSRHCUKPBNMU-RDBSUJKOSA-N 3 0 239.407 1.720 20 0 BDADRP CN(C[C@@H](O)C[N@H+](C)CC1CCCC1)C1CC1 ZINC000336723561 388469321 /nfs/dbraw/zinc/46/93/21/388469321.db2.gz UDHADHVTLWILAK-AWEZNQCLSA-N 2 0 240.391 1.564 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000573058835 388414936 /nfs/dbraw/zinc/41/49/36/388414936.db2.gz FIERLNXUEIDLDO-RFQIPJPRSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC(C)(C)C(C)(C)O ZINC000393578946 388434186 /nfs/dbraw/zinc/43/41/86/388434186.db2.gz DJADZCGQBBLDGM-NEPJUHHUSA-N 2 0 242.407 1.713 20 0 BDADRP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000393633847 388435799 /nfs/dbraw/zinc/43/57/99/388435799.db2.gz LJBUGROSDCADHJ-RWMBFGLXSA-N 2 0 242.407 1.891 20 0 BDADRP C[C@H]([NH2+]CCC[NH+](C)C)[C@]1(C)CCCO1 ZINC000340168208 388487494 /nfs/dbraw/zinc/48/74/94/388487494.db2.gz RGZONGXIKNPRBL-RYUDHWBXSA-N 2 0 214.353 1.485 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@H](C)[NH+](C)C)cc1 ZINC000649273289 388487627 /nfs/dbraw/zinc/48/76/27/388487627.db2.gz AQOMKTJUJYDFPE-UWVGGRQHSA-N 2 0 235.331 1.595 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)[C@]1(C)CCCO1)C[NH+](C)C ZINC000340392662 388489364 /nfs/dbraw/zinc/48/93/64/388489364.db2.gz ZWQHATJJWFPRDJ-AGIUHOORSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@H](F)CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000340467028 388490649 /nfs/dbraw/zinc/49/06/49/388490649.db2.gz NWNVTRXLRWMESY-SDDRHHMPSA-N 2 0 214.328 1.951 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000397776169 388498243 /nfs/dbraw/zinc/49/82/43/388498243.db2.gz MXOKQXZIDXYRTM-IEECTRCBSA-N 2 0 208.349 1.892 20 0 BDADRP C[C@H](CCO)CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000397800445 388500446 /nfs/dbraw/zinc/50/04/46/388500446.db2.gz WCJJSXUQVIGSTF-REWJHTLYSA-N 2 0 242.407 1.713 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NCC1([NH+](C)C)CC1 ZINC000397860843 388507691 /nfs/dbraw/zinc/50/76/91/388507691.db2.gz YEABWGIHOOOONL-NEPJUHHUSA-N 2 0 225.380 1.010 20 0 BDADRP CCc1cnc(C[NH+]2CCC(C[NH3+])CC2)s1 ZINC000346683206 388520749 /nfs/dbraw/zinc/52/07/49/388520749.db2.gz FXIFRHJXDHSAGR-UHFFFAOYSA-N 2 0 239.388 1.876 20 0 BDADRP CC(C)C[C@H](CCO)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000520838199 256815647 /nfs/dbraw/zinc/81/56/47/256815647.db2.gz SWYVQKRQCYSHFQ-BFHYXJOUSA-N 2 0 242.407 1.891 20 0 BDADRP C[NH2+][C@@H](C)c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000517038676 388535008 /nfs/dbraw/zinc/53/50/08/388535008.db2.gz JTUOJMPNINKWOC-QMMMGPOBSA-N 2 0 232.287 1.476 20 0 BDADRP C[C@@H](c1cccnc1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841054 388604520 /nfs/dbraw/zinc/60/45/20/388604520.db2.gz XNCBJRYFVSRNOG-NTZNESFSSA-N 2 0 219.332 1.669 20 0 BDADRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)[C@H]1CCCOC1 ZINC000356836048 388550953 /nfs/dbraw/zinc/55/09/53/388550953.db2.gz CUSSNQJIFBRIOY-KGLIPLIRSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@H]([NH2+]CCC[NH+]1CCCC1)[C@@H]1CCCOC1 ZINC000356836050 388551076 /nfs/dbraw/zinc/55/10/76/388551076.db2.gz CUSSNQJIFBRIOY-UONOGXRCSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000356697476 388551375 /nfs/dbraw/zinc/55/13/75/388551375.db2.gz NFKHCJLEBYFQON-GRYCIOLGSA-N 2 0 214.353 1.661 20 0 BDADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)C1CC1 ZINC000186601355 256865901 /nfs/dbraw/zinc/86/59/01/256865901.db2.gz UQGYMTQYYXXBKQ-STQMWFEESA-N 2 0 239.407 1.401 20 0 BDADRP CC[NH+](CC)CCCN[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000359287283 388556365 /nfs/dbraw/zinc/55/63/65/388556365.db2.gz OAPNRKWKLKWDAX-ZIAGYGMSSA-N 2 0 241.423 1.648 20 0 BDADRP CO[C@](C)(C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)C1CC1 ZINC000361011334 388559144 /nfs/dbraw/zinc/55/91/44/388559144.db2.gz SGRQKKLHZZYGFD-KWCYVHTRSA-N 2 0 240.391 1.731 20 0 BDADRP COc1cc(C)nc(CN2[C@H](C)C[NH2+]C[C@@H]2C)c1 ZINC000214127314 388566623 /nfs/dbraw/zinc/56/66/23/388566623.db2.gz WGWYCMHFPVFNLX-TXEJJXNPSA-N 2 0 249.358 1.581 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCCO2)CC[N@@H+]1C ZINC000224547498 388666162 /nfs/dbraw/zinc/66/61/62/388666162.db2.gz OFNBQZFSERYFTR-FRRDWIJNSA-N 2 0 226.364 1.628 20 0 BDADRP CC[NH+](CC)CCCN1CCOCC1(C)C ZINC000191778012 388670604 /nfs/dbraw/zinc/67/06/04/388670604.db2.gz XGUGLJKSNXELQO-UHFFFAOYSA-N 2 0 228.380 1.829 20 0 BDADRP C[C@H]([NH3+])CCNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000621702205 388677229 /nfs/dbraw/zinc/67/72/29/388677229.db2.gz LBTLXMNYHCMQJH-GXFFZTMASA-N 2 0 247.342 1.075 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](C)OC)[C@@H](C)C1 ZINC000248416165 388678260 /nfs/dbraw/zinc/67/82/60/388678260.db2.gz IOFRTIOQOZPPFE-AVGNSLFASA-N 2 0 228.380 1.683 20 0 BDADRP CCN1CC[C@H]([NH2+][C@H](C)C[S@@](C)=O)[C@H](C)C1 ZINC000248443737 388680587 /nfs/dbraw/zinc/68/05/87/388680587.db2.gz BFEYKUZOITUWDF-LSSIXWDNSA-N 2 0 246.420 1.073 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1CO ZINC000521609707 388618660 /nfs/dbraw/zinc/61/86/60/388618660.db2.gz IJVXIFZYRBGXMP-RISCZKNCSA-N 2 0 234.343 1.396 20 0 BDADRP C1CC2(C1)[NH2+]CC[C@@H]2N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000530177841 388621432 /nfs/dbraw/zinc/62/14/32/388621432.db2.gz IMDZYZDLDBLVCJ-MCIONIFRSA-N 2 0 249.402 1.487 20 0 BDADRP Cc1ncc(CN[C@@H]2CC[NH2+]C23CCC3)s1 ZINC000530178405 388621481 /nfs/dbraw/zinc/62/14/81/388621481.db2.gz LAKRBEFDBGMGHB-LLVKDONJSA-N 2 0 237.372 1.826 20 0 BDADRP C1CC2(C1)[NH2+]CC[C@H]2N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000530177840 388621887 /nfs/dbraw/zinc/62/18/87/388621887.db2.gz IMDZYZDLDBLVCJ-BFHYXJOUSA-N 2 0 249.402 1.487 20 0 BDADRP COC1CCC([NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000530176843 388622153 /nfs/dbraw/zinc/62/21/53/388622153.db2.gz DCTWFGLGMJLHDU-WXRRBKDZSA-N 2 0 238.375 1.818 20 0 BDADRP C[C@@H]1C[C@@H](N[C@H]2CC[NH2+]C23CCC3)C[N@@H+]1C1CC1 ZINC000530179944 388622702 /nfs/dbraw/zinc/62/27/02/388622702.db2.gz ZAEJYUAEVZIECD-BZPMIXESSA-N 2 0 249.402 1.486 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCCOC2)CC[NH2+]1 ZINC000530213016 388627483 /nfs/dbraw/zinc/62/74/83/388627483.db2.gz SUBAAPHHJYUASD-AGIUHOORSA-N 2 0 226.364 1.533 20 0 BDADRP CC1(C)C[C@H]([NH2+]CC[C@H]2CCCOC2)CC[NH2+]1 ZINC000530212954 388627501 /nfs/dbraw/zinc/62/75/01/388627501.db2.gz SGFNHPLIWZYNBT-CHWSQXEVSA-N 2 0 240.391 1.923 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CCCOC1 ZINC000530210989 388628189 /nfs/dbraw/zinc/62/81/89/388628189.db2.gz KVQXBOZTANSRAC-UTUOFQBUSA-N 2 0 212.337 1.273 20 0 BDADRP C[C@@H](N[C@@H]1CC[NH2+]C12CCC2)[C@H]1CCC[NH2+]1 ZINC000530215868 388628690 /nfs/dbraw/zinc/62/86/90/388628690.db2.gz JVIIZJCKGIEKLG-IJLUTSLNSA-N 2 0 223.364 1.001 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc2cn(C)nc2c1 ZINC000530219013 388632025 /nfs/dbraw/zinc/63/20/25/388632025.db2.gz OOKKEVLGDAJSLE-MNOVXSKESA-N 2 0 246.358 1.789 20 0 BDADRP C[N@H+](CC[C@@H]1CCCO1)C[C@@H]1CCC[NH+](C)C1 ZINC000189378289 388632374 /nfs/dbraw/zinc/63/23/74/388632374.db2.gz WVBDELDAFGVLOG-KGLIPLIRSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@H]1CC(F)(F)CC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000530231178 388637171 /nfs/dbraw/zinc/63/71/71/388637171.db2.gz FMJHNMNNBNPYFH-NSHDSACASA-N 2 0 247.333 1.011 20 0 BDADRP CCOCC[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000246479291 388637476 /nfs/dbraw/zinc/63/74/76/388637476.db2.gz HNOYXUSXEGZNQP-QWHCGFSZSA-N 2 0 228.380 1.685 20 0 BDADRP C(O[C@@H]1CC[NH2+]C1)C1CC[NH+](CC2CC2)CC1 ZINC000530242400 388637596 /nfs/dbraw/zinc/63/75/96/388637596.db2.gz UHRGTZSSPSXQHL-CQSZACIVSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)CC[NH2+]1 ZINC000530245086 388639243 /nfs/dbraw/zinc/63/92/43/388639243.db2.gz SSRBUQXHDGVEHA-AGIUHOORSA-N 3 0 237.391 1.249 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000251469883 388644467 /nfs/dbraw/zinc/64/44/67/388644467.db2.gz VRLUZAMIMVJPDT-RNJOBUHISA-N 2 0 226.364 1.255 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCc2cnn(C)c2)CN1C1CC1 ZINC000127915803 388734016 /nfs/dbraw/zinc/73/40/16/388734016.db2.gz HJMUGFMABSOXCZ-DGCLKSJQSA-N 2 0 248.374 1.177 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCc2cnn(C)c2)CN1C1CC1 ZINC000127915591 388734457 /nfs/dbraw/zinc/73/44/57/388734457.db2.gz HJMUGFMABSOXCZ-AAEUAGOBSA-N 2 0 248.374 1.177 20 0 BDADRP O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128025793 388736592 /nfs/dbraw/zinc/73/65/92/388736592.db2.gz LQGUNSNPUSZUJB-AAVRWANBSA-N 2 0 238.375 1.506 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCCS1 ZINC000250838232 388741623 /nfs/dbraw/zinc/74/16/23/388741623.db2.gz LGBOJPPCTGFUNF-QJPTWQEYSA-N 2 0 228.405 1.989 20 0 BDADRP C[C@@H](CO)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227536228 388752293 /nfs/dbraw/zinc/75/22/93/388752293.db2.gz UHWHQDPSACDLKS-AXTRIDKLSA-N 2 0 206.289 1.102 20 0 BDADRP C/C=C/C[C@H](CO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000248639521 388688093 /nfs/dbraw/zinc/68/80/93/388688093.db2.gz MVWZRMHOXCJXBK-LZLIAMDJSA-N 2 0 238.375 1.530 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)[C@@H]1CCOC1 ZINC000223400189 388691830 /nfs/dbraw/zinc/69/18/30/388691830.db2.gz USUKVTKOCDWPBC-YNEHKIRRSA-N 2 0 226.364 1.343 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000249088827 388708109 /nfs/dbraw/zinc/70/81/09/388708109.db2.gz NPSLIAGNODBOFK-RGDJUOJXSA-N 2 0 240.391 1.466 20 0 BDADRP C[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000249163160 388711545 /nfs/dbraw/zinc/71/15/45/388711545.db2.gz ZPGBZRCKPWKFRT-JHJVBQTASA-N 2 0 226.364 1.343 20 0 BDADRP COC[C@@H](C)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000249452211 388721832 /nfs/dbraw/zinc/72/18/32/388721832.db2.gz CPTQOTDBTDMPPK-KBPBESRZSA-N 2 0 240.391 1.687 20 0 BDADRP CCSCC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000229514197 388792460 /nfs/dbraw/zinc/79/24/60/388792460.db2.gz MLGUESVIURUJTG-QWRGUYRKSA-N 2 0 216.394 1.812 20 0 BDADRP Cc1cc(N2CC[C@H]([NH3+])[C@@H](C)C2)cc[nH+]1 ZINC000229576616 388795021 /nfs/dbraw/zinc/79/50/21/388795021.db2.gz DBPBHHBDZMQKGD-CABZTGNLSA-N 2 0 205.305 1.564 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000229971564 388808753 /nfs/dbraw/zinc/80/87/53/388808753.db2.gz IBIXLGQASCBINE-GRYCIOLGSA-N 2 0 214.353 1.110 20 0 BDADRP CC[C@]1(CO)CCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000251980460 388758531 /nfs/dbraw/zinc/75/85/31/388758531.db2.gz VJBQEEIQVLEXDQ-ZIAGYGMSSA-N 2 0 240.391 1.708 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)CCO1 ZINC000252143671 388762190 /nfs/dbraw/zinc/76/21/90/388762190.db2.gz NOVIOXLJPNQALI-UPJWGTAASA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C[C@@](C)(O)C[NH+](C)C)C1 ZINC000228138138 388771150 /nfs/dbraw/zinc/77/11/50/388771150.db2.gz KGNQRJLOOZDEMS-GRYCIOLGSA-N 2 0 214.353 1.077 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1cscn1 ZINC000252710788 388773230 /nfs/dbraw/zinc/77/32/30/388773230.db2.gz HRVZGNMDGYFDEX-ZYHUDNBSSA-N 2 0 239.388 1.615 20 0 BDADRP CC(C)[C@@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000228738394 388773502 /nfs/dbraw/zinc/77/35/02/388773502.db2.gz HDMZDYKCWPQSPH-OLZOCXBDSA-N 2 0 210.365 1.964 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1cccnc1 ZINC000252715190 388774585 /nfs/dbraw/zinc/77/45/85/388774585.db2.gz UWNTXNVPEVMXSD-TZMCWYRMSA-N 2 0 233.359 1.554 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+][C@H]1CC[C@H](O)CC1 ZINC000252732389 388778697 /nfs/dbraw/zinc/77/86/97/388778697.db2.gz UWRPUIFLBSUQPP-XVIXHAIJSA-N 2 0 240.391 1.608 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@H]1CC[C@H](O)CC1 ZINC000252732387 388778800 /nfs/dbraw/zinc/77/88/00/388778800.db2.gz UWRPUIFLBSUQPP-ITGHMWBKSA-N 2 0 240.391 1.608 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCOC1)C[NH+]1CCCC1 ZINC000129155386 388821819 /nfs/dbraw/zinc/82/18/19/388821819.db2.gz HVGJPHPBMFMEEN-HZSPNIEDSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H](C[NH2+]Cc1ccc2[nH]cnc2c1)C[NH+](C)C ZINC000555582198 388855573 /nfs/dbraw/zinc/85/55/73/388855573.db2.gz DQCXVMUHHXNVAQ-NSHDSACASA-N 2 0 246.358 1.850 20 0 BDADRP CS[C@H]1CC[N@H+](CCC[NH+]2CCCC2)C1 ZINC000556111483 388868011 /nfs/dbraw/zinc/86/80/11/388868011.db2.gz UZBZXMWXCQODBJ-LBPRGKRZSA-N 2 0 228.405 1.910 20 0 BDADRP C[C@@H]1C[C@H](NCC[NH+]2CCCC2)CC[N@@H+]1C ZINC000129731591 388868578 /nfs/dbraw/zinc/86/85/78/388868578.db2.gz NWNMNMZTWHLIBD-CHWSQXEVSA-N 2 0 225.380 1.155 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000300006944 388845656 /nfs/dbraw/zinc/84/56/56/388845656.db2.gz WZTRCIHZRCNMBQ-QWHCGFSZSA-N 2 0 238.375 1.759 20 0 BDADRP CN(C[C@@H]1CCC2(CCCC2)O1)[C@H]1CC[NH2+]C1 ZINC000300002769 388847937 /nfs/dbraw/zinc/84/79/37/388847937.db2.gz RRKZXXGZXBUXCW-STQMWFEESA-N 2 0 238.375 1.772 20 0 BDADRP CO[C@@H]1CC[C@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000564440438 388876331 /nfs/dbraw/zinc/87/63/31/388876331.db2.gz FHHOQZCXAZQGPQ-ZDEQEGDKSA-N 2 0 226.364 1.532 20 0 BDADRP CC1(C)C[N@H+](CCC[NH+]2CCCCC2)C[C@H]1O ZINC000564527341 388877170 /nfs/dbraw/zinc/87/71/70/388877170.db2.gz HFTYLDCIYYCXQI-CYBMUJFWSA-N 2 0 240.391 1.565 20 0 BDADRP CCCCC[NH+]1CCC([NH2+]CCOC)CC1 ZINC000565095640 388913964 /nfs/dbraw/zinc/91/39/64/388913964.db2.gz HBBUHZVSMMQYAX-UHFFFAOYSA-N 2 0 228.380 1.877 20 0 BDADRP CC[NH2+]CCC[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000566004137 388982259 /nfs/dbraw/zinc/98/22/59/388982259.db2.gz WNYQZSYZZCUVIS-QWHCGFSZSA-N 2 0 228.380 1.779 20 0 BDADRP CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000566088977 388986959 /nfs/dbraw/zinc/98/69/59/388986959.db2.gz XDVYXDMCWSAXJR-XHJNMGKDSA-N 2 0 238.375 1.674 20 0 BDADRP C([C@H]1CCSC1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257641398 533376373 /nfs/dbraw/zinc/37/63/73/533376373.db2.gz AZZBCXLCSLVXBO-NEPJUHHUSA-N 2 0 226.389 1.425 20 0 BDADRP CO[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000300056925 533414978 /nfs/dbraw/zinc/41/49/78/533414978.db2.gz WMSUZVHOTOKHIO-IJLUTSLNSA-N 2 0 212.337 1.095 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)C1CCOCC1)[C@H]1CCC[NH2+]1 ZINC000400709338 533495451 /nfs/dbraw/zinc/49/54/51/533495451.db2.gz LWASCNCEWQBUGW-DMDPSCGWSA-N 2 0 226.364 1.532 20 0 BDADRP CSCCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400494526 533572373 /nfs/dbraw/zinc/57/23/73/533572373.db2.gz HBWLCYPPVQEDRL-UWVGGRQHSA-N 2 0 202.367 1.470 20 0 BDADRP C[C@@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000494645811 533536869 /nfs/dbraw/zinc/53/68/69/533536869.db2.gz DLCYIJBACVHSGX-AAEUAGOBSA-N 2 0 249.358 1.320 20 0 BDADRP C[C@@H](CCCC[NH3+])NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000494673905 533536937 /nfs/dbraw/zinc/53/69/37/533536937.db2.gz NBCMTQYTWGTVAR-QJPTWQEYSA-N 2 0 241.379 1.008 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2O)CC1 ZINC000042237404 322837066 /nfs/dbraw/zinc/83/70/66/322837066.db2.gz JVHJSHRWYPBGTE-ZIAGYGMSSA-N 2 0 240.391 1.754 20 0 BDADRP c1ccc(N2CCC([NH2+][C@@H]3CCOC3)CC2)nc1 ZINC000109429675 132267699 /nfs/dbraw/zinc/26/76/99/132267699.db2.gz BSCAMJCUDBMXFE-CYBMUJFWSA-N 2 0 247.342 1.429 20 0 BDADRP C[C@@H]1C[N@H+](CCOc2ccccc2)CC[C@H]1[NH3+] ZINC000251866428 133647824 /nfs/dbraw/zinc/64/78/24/133647824.db2.gz SYFLEGHKHAFYIJ-TZMCWYRMSA-N 2 0 234.343 1.735 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc(N)c2)C1 ZINC000335964115 134027677 /nfs/dbraw/zinc/02/76/77/134027677.db2.gz QUZSZADBNGOKGV-ZYHUDNBSSA-N 2 0 219.332 1.438 20 0 BDADRP C[N@@H+]1CC[C@]2(CCN(Cc3ccc(F)cn3)C2)C1 ZINC000336125038 134092694 /nfs/dbraw/zinc/09/26/94/134092694.db2.gz UMEJSMXQIZZPRN-AWEZNQCLSA-N 2 0 249.333 1.748 20 0 BDADRP CC[C@H](F)CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000336125080 134092728 /nfs/dbraw/zinc/09/27/28/134092728.db2.gz ZPOLEWSTYKDLMH-NWDGAFQWSA-N 2 0 214.328 1.762 20 0 BDADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2C[C@@H](O)C2)CC1 ZINC000336210476 134134087 /nfs/dbraw/zinc/13/40/87/134134087.db2.gz TUJGASAXFLVQQY-TXEJJXNPSA-N 2 0 226.364 1.362 20 0 BDADRP Cc1c[nH+]ccc1N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000167681155 134154026 /nfs/dbraw/zinc/15/40/26/134154026.db2.gz WBLKBINMYCWUIK-ZYHUDNBSSA-N 2 0 219.332 1.811 20 0 BDADRP CS[C@@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000169072385 134249057 /nfs/dbraw/zinc/24/90/57/134249057.db2.gz GRCBIVJOYXCVDQ-YEJSDXFRSA-N 2 0 228.405 1.953 20 0 BDADRP CS[C@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000169072484 134249095 /nfs/dbraw/zinc/24/90/95/134249095.db2.gz GRCBIVJOYXCVDQ-WAAKLRNESA-N 2 0 228.405 1.953 20 0 BDADRP [NH3+]CCCC[NH2+][C@@H]1CCCc2occc21 ZINC000169203517 134250095 /nfs/dbraw/zinc/25/00/95/134250095.db2.gz HSRUMIYKBLHRQS-LLVKDONJSA-N 2 0 208.305 1.986 20 0 BDADRP CCC[N@H+](CC)CCN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000217722584 134250681 /nfs/dbraw/zinc/25/06/81/134250681.db2.gz YMMNEKXDEXDPPE-CHWSQXEVSA-N 2 0 227.396 1.435 20 0 BDADRP COC[C@@H]1CCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000220372964 134306273 /nfs/dbraw/zinc/30/62/73/134306273.db2.gz FFQPPOQSNNTSNE-SNVBAGLBSA-N 2 0 200.326 1.082 20 0 BDADRP CC[NH+](CC)CCC[NH2+]C1CC(OC)C1 ZINC000221253189 134322329 /nfs/dbraw/zinc/32/23/29/134322329.db2.gz FWJVLCJHLCBQQG-UHFFFAOYSA-N 2 0 214.353 1.485 20 0 BDADRP CC(C)OCCC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000221755457 134326240 /nfs/dbraw/zinc/32/62/40/134326240.db2.gz BCQBUUXAKQUQPI-QWHCGFSZSA-N 2 0 228.380 1.731 20 0 BDADRP CCC(O)(CC)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000222934068 134336087 /nfs/dbraw/zinc/33/60/87/134336087.db2.gz SXSJSETXRGJOQE-NWDGAFQWSA-N 2 0 228.380 1.610 20 0 BDADRP CC[C@H](COC)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000223020433 134336137 /nfs/dbraw/zinc/33/61/37/134336137.db2.gz OJDOEFKKROWIHP-GMTAPVOTSA-N 2 0 200.326 1.271 20 0 BDADRP CCC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000223483986 134340142 /nfs/dbraw/zinc/34/01/42/134340142.db2.gz LPMGKFTVJOXSES-QNWHQSFQSA-N 2 0 228.380 1.466 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCSC2)CC[N@@H+]1C ZINC000224451441 134347488 /nfs/dbraw/zinc/34/74/88/134347488.db2.gz VCDSWLSTSXNZJF-GRYCIOLGSA-N 2 0 228.405 1.812 20 0 BDADRP CN(C)c1ccncc1C[NH2+]C[C@]1(C)CCCO1 ZINC000185211122 134374890 /nfs/dbraw/zinc/37/48/90/134374890.db2.gz NGLGEOYUBVVAAQ-AWEZNQCLSA-N 2 0 249.358 1.806 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)CCO1 ZINC000227328748 134378346 /nfs/dbraw/zinc/37/83/46/134378346.db2.gz NKUCSMXLLAJPDX-QWHCGFSZSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]1OCC[C@@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000227497676 134381231 /nfs/dbraw/zinc/38/12/31/134381231.db2.gz FHQQTKQXARKCTA-NEPJUHHUSA-N 2 0 226.364 1.485 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+][C@H](C)CN(C)C)CCO1 ZINC000227964353 134395413 /nfs/dbraw/zinc/39/54/13/134395413.db2.gz KGTNVKVDKXEYTQ-UPJWGTAASA-N 2 0 228.380 1.730 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CC1(O)CCCCC1 ZINC000234780084 134583545 /nfs/dbraw/zinc/58/35/45/134583545.db2.gz BTMJQAYRTUEETK-LBPRGKRZSA-N 2 0 244.379 1.025 20 0 BDADRP Cc1c[nH+]ccc1NC[C@@H](C)C[NH+]1CCOCC1 ZINC000192613533 134586141 /nfs/dbraw/zinc/58/61/41/134586141.db2.gz CWHDHZYVSJDWQQ-GFCCVEGCSA-N 2 0 249.358 1.770 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCCOC1 ZINC000071012021 135017341 /nfs/dbraw/zinc/01/73/41/135017341.db2.gz CAXILOIFHYMSSX-FDYHWXHSSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)O1 ZINC000248863063 135023444 /nfs/dbraw/zinc/02/34/44/135023444.db2.gz BMKDGMXEKBTNEG-FRRDWIJNSA-N 2 0 226.364 1.437 20 0 BDADRP C[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000249384318 135037647 /nfs/dbraw/zinc/03/76/47/135037647.db2.gz BHGUNCJDHYMXCJ-OBJOEFQTSA-N 2 0 238.375 1.316 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCO[C@@H](C)C2)C1 ZINC000250358136 135052817 /nfs/dbraw/zinc/05/28/17/135052817.db2.gz SPUHRECXDWQPIQ-XQQFMLRXSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1C[C@@H](C)C[NH+](CC[C@H]2CC[NH2+]C2)C1 ZINC000251736850 135077043 /nfs/dbraw/zinc/07/70/43/135077043.db2.gz CPUNHUFRAFTJEP-JHJVBQTASA-N 2 0 210.365 1.964 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCOC2)CC[C@H]1[NH3+] ZINC000251914471 135080912 /nfs/dbraw/zinc/08/09/12/135080912.db2.gz XLLLBAVUSWFOFR-GRYCIOLGSA-N 2 0 212.337 1.082 20 0 BDADRP Cc1n[nH]cc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000086403339 135082995 /nfs/dbraw/zinc/08/29/95/135082995.db2.gz BSIIWIGZDGBCKL-WDEREUQCSA-N 2 0 208.309 1.078 20 0 BDADRP C[C@H]1CCC[N@H+](CCOCC[NH3+])CC1 ZINC000086435779 135084255 /nfs/dbraw/zinc/08/42/55/135084255.db2.gz PNXIIQRVSKHWQL-NSHDSACASA-N 2 0 200.326 1.084 20 0 BDADRP C[N@H+](CCOCC[NH3+])Cc1cccs1 ZINC000086435391 135084265 /nfs/dbraw/zinc/08/42/65/135084265.db2.gz LKFZRBOMWNHYKZ-UHFFFAOYSA-N 2 0 214.334 1.155 20 0 BDADRP C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000252166564 135085615 /nfs/dbraw/zinc/08/56/15/135085615.db2.gz QNPRAFJMGYZFPL-SJHCENCUSA-N 2 0 208.349 1.905 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCCCO1 ZINC000252430360 135089203 /nfs/dbraw/zinc/08/92/03/135089203.db2.gz LKQWPZJICNIJLN-SYQHCUMBSA-N 2 0 240.391 1.874 20 0 BDADRP CC[C@@H](C)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000086723505 135094986 /nfs/dbraw/zinc/09/49/86/135094986.db2.gz QHOJAWDEDKDVTG-LLVKDONJSA-N 2 0 214.353 1.615 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCO[C@@H]2C)C1 ZINC000252689866 135097076 /nfs/dbraw/zinc/09/70/76/135097076.db2.gz SLDVMTLEWAVPDO-UTUOFQBUSA-N 2 0 212.337 1.095 20 0 BDADRP CCSCCN1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000252686180 135097093 /nfs/dbraw/zinc/09/70/93/135097093.db2.gz JGFHZTVZSZUCKB-GHMZBOCLSA-N 2 0 216.394 1.799 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252691600 135097300 /nfs/dbraw/zinc/09/73/00/135097300.db2.gz YMSOLVLADSQKEY-CYDGBPFRSA-N 2 0 224.348 1.380 20 0 BDADRP CC(C)OCC[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086886966 135100302 /nfs/dbraw/zinc/10/03/02/135100302.db2.gz BMIQDNYLZYSYMO-MNOVXSKESA-N 2 0 200.326 1.081 20 0 BDADRP C[C@H]1CN(C)CC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000257772796 135100607 /nfs/dbraw/zinc/10/06/07/135100607.db2.gz DOALNLRSWXMMOR-QWHCGFSZSA-N 2 0 225.380 1.012 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000252712382 135100686 /nfs/dbraw/zinc/10/06/86/135100686.db2.gz MHTDNIYVGZITHB-MQYQWHSLSA-N 3 0 239.407 1.399 20 0 BDADRP CCN(C)CC[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000086902850 135101757 /nfs/dbraw/zinc/10/17/57/135101757.db2.gz JHSMPKLIFSACSB-LBPRGKRZSA-N 2 0 226.364 1.629 20 0 BDADRP C[C@H](O)CC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000252745820 135106233 /nfs/dbraw/zinc/10/62/33/135106233.db2.gz PPHOWPQNJJQMOL-QWHCGFSZSA-N 2 0 228.380 1.564 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H](C)[C@H](C)O)CC1 ZINC000087128986 135107387 /nfs/dbraw/zinc/10/73/87/135107387.db2.gz HIXTZXJSBQGDNL-QWRGUYRKSA-N 2 0 214.353 1.220 20 0 BDADRP CCC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000253020461 135119202 /nfs/dbraw/zinc/11/92/02/135119202.db2.gz JSWWDOPBEFBJRN-REWJHTLYSA-N 2 0 240.391 1.658 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCC(C)(C)O ZINC000253165759 135123281 /nfs/dbraw/zinc/12/32/81/135123281.db2.gz ZLOVZKQVJMYLKU-WDEREUQCSA-N 2 0 214.353 1.077 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(O)CCCCC1 ZINC000253178617 135123357 /nfs/dbraw/zinc/12/33/57/135123357.db2.gz CAXDQOZPOIJOLC-CHWSQXEVSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1CCOCC1 ZINC000253196203 135123659 /nfs/dbraw/zinc/12/36/59/135123659.db2.gz SOCVWICKNNQHHR-DGCLKSJQSA-N 2 0 226.364 1.343 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1CCOCC1 ZINC000253196204 135124122 /nfs/dbraw/zinc/12/41/22/135124122.db2.gz SOCVWICKNNQHHR-WCQYABFASA-N 2 0 226.364 1.343 20 0 BDADRP CC[C@@H](CCO)C[NH2+]C1CC[NH+](CC)CC1 ZINC000087362485 135126984 /nfs/dbraw/zinc/12/69/84/135126984.db2.gz HKRPPHHSTHPWNP-LBPRGKRZSA-N 2 0 228.380 1.469 20 0 BDADRP C[C@@]1(F)CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000258206893 135132287 /nfs/dbraw/zinc/13/22/87/135132287.db2.gz XGXQDCCWUPBLGU-LLVKDONJSA-N 2 0 200.301 1.420 20 0 BDADRP C([C@H]1CCCOC1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257673719 135138382 /nfs/dbraw/zinc/13/83/82/135138382.db2.gz JEOCGPBGTNUWTB-ZIAGYGMSSA-N 2 0 238.375 1.489 20 0 BDADRP C[NH2+]CCCN(C)C1CC[NH+](C(C)C)CC1 ZINC000087472352 135142921 /nfs/dbraw/zinc/14/29/21/135142921.db2.gz LBZYAEPQTSPHIO-UHFFFAOYSA-N 3 0 227.396 1.401 20 0 BDADRP C[NH2+]CCCN(C)CC[C@H]1CCCC[N@@H+]1C ZINC000087472573 135143562 /nfs/dbraw/zinc/14/35/62/135143562.db2.gz ACXQLODOWBIGGA-CYBMUJFWSA-N 3 0 227.396 1.402 20 0 BDADRP C[NH2+]CCN(C)c1cc[nH+]c(C)c1Cl ZINC000261527744 135151870 /nfs/dbraw/zinc/15/18/70/135151870.db2.gz GOWORTBQANAKTO-UHFFFAOYSA-N 2 0 213.712 1.699 20 0 BDADRP CCSCC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261528441 135153509 /nfs/dbraw/zinc/15/35/09/135153509.db2.gz LRYWBNLZRJVLCS-WDEREUQCSA-N 2 0 214.378 1.281 20 0 BDADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccsc1 ZINC000261529149 135154696 /nfs/dbraw/zinc/15/46/96/135154696.db2.gz PJKIYYLGGUBRHH-ONGXEEELSA-N 2 0 210.346 1.836 20 0 BDADRP Cc1ncccc1CN1CC[C@H]([NH3+])[C@@H]1C ZINC000261529237 135154775 /nfs/dbraw/zinc/15/47/75/135154775.db2.gz AKZTZPOARFOYGF-JQWIXIFHSA-N 2 0 205.305 1.312 20 0 BDADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccsc3)C[C@@H]12 ZINC000261531457 135159901 /nfs/dbraw/zinc/15/99/01/135159901.db2.gz GOSNKUFOSOYWGI-QJPTWQEYSA-N 2 0 222.357 1.917 20 0 BDADRP CCC[NH+]1CCC(N(C)C[C@@H](C)[NH3+])CC1 ZINC000261532109 135161651 /nfs/dbraw/zinc/16/16/51/135161651.db2.gz JDUNJOFVPRPBQJ-LLVKDONJSA-N 2 0 213.369 1.140 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)CCO1 ZINC000261532442 135162270 /nfs/dbraw/zinc/16/22/70/135162270.db2.gz BMEWYWSUQLJXTR-RWMBFGLXSA-N 2 0 226.364 1.485 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@H]3CCSC3)C[C@@H]12 ZINC000261532768 135163702 /nfs/dbraw/zinc/16/37/02/135163702.db2.gz KDBJUIBLSMESAE-DDHJBXDOSA-N 2 0 226.389 1.409 20 0 BDADRP C[N@H+](CC[C@H]1CCCO1)C[C@H]1CCC[NH2+]C1 ZINC000261533688 135165891 /nfs/dbraw/zinc/16/58/91/135165891.db2.gz KAQNKDPROJECQL-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC3CCCC3)C[C@H]12 ZINC000261533790 135166030 /nfs/dbraw/zinc/16/60/30/135166030.db2.gz LESRRZMLUOCCKF-FRRDWIJNSA-N 2 0 208.349 1.846 20 0 BDADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC3CCCC3)C[C@@H]12 ZINC000261533793 135166214 /nfs/dbraw/zinc/16/62/14/135166214.db2.gz LESRRZMLUOCCKF-YNEHKIRRSA-N 2 0 208.349 1.846 20 0 BDADRP COCC(C)(C)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000261534912 135168978 /nfs/dbraw/zinc/16/89/78/135168978.db2.gz NJPZKYIVEGKNRB-WDEREUQCSA-N 2 0 214.353 1.247 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCS[C@H](C)C2)CC[NH2+]1 ZINC000261535374 135170040 /nfs/dbraw/zinc/17/00/40/135170040.db2.gz OIQXNOOHCWVUKV-IJLUTSLNSA-N 2 0 228.405 1.812 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@H]2CCSC2)C[C@@H]1C[NH3+] ZINC000261535779 135170554 /nfs/dbraw/zinc/17/05/54/135170554.db2.gz PDHGBUKNOZAVBG-UTUOFQBUSA-N 2 0 228.405 1.656 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+]C[C@H]2CCCO2)CC[NH2+]1 ZINC000261537069 135173010 /nfs/dbraw/zinc/17/30/10/135173010.db2.gz USODSFRUTGQRPT-IJLUTSLNSA-N 2 0 212.337 1.143 20 0 BDADRP CC(C)OCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261537854 135174435 /nfs/dbraw/zinc/17/44/35/135174435.db2.gz WLOKXUNHFYPQAR-TUAOUCFPSA-N 2 0 212.337 1.081 20 0 BDADRP Cc1noc(C)c1C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000261538313 135175766 /nfs/dbraw/zinc/17/57/66/135175766.db2.gz ZELCKBZFYYUCOG-VXGBXAGGSA-N 2 0 237.347 1.899 20 0 BDADRP CCS[C@@H]1CC[C@H]([N@H+](C)C[C@H](C)[NH3+])C1 ZINC000261538539 135176355 /nfs/dbraw/zinc/17/63/55/135176355.db2.gz YMJFVABIZOGHOM-GARJFASQSA-N 2 0 216.394 1.940 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000261538993 135177035 /nfs/dbraw/zinc/17/70/35/135177035.db2.gz BHQKFWYAGSLIER-STQMWFEESA-N 2 0 208.349 1.860 20 0 BDADRP CSC[C@@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261539267 135177847 /nfs/dbraw/zinc/17/78/47/135177847.db2.gz BZNSXUIEKIOBLO-RYUDHWBXSA-N 2 0 228.405 1.813 20 0 BDADRP CO[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CC[C@H]1C ZINC000261539751 135178491 /nfs/dbraw/zinc/17/84/91/135178491.db2.gz BLCNNEUYHAWRPF-AAVRWANBSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@@H]1C[C@@H](C[N@H+](C)C[C@H]2CCCOC2)CC[NH2+]1 ZINC000261540298 135179218 /nfs/dbraw/zinc/17/92/18/135179218.db2.gz FSOIHWPROGGADR-HZSPNIEDSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCN1Cc1cccc(N)c1 ZINC000261540560 135180395 /nfs/dbraw/zinc/18/03/95/135180395.db2.gz FCRWUSUGJQEHPM-BXKDBHETSA-N 2 0 205.305 1.190 20 0 BDADRP CCOC[C@H]1CCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000261556894 135197272 /nfs/dbraw/zinc/19/72/72/135197272.db2.gz WNPNUMKJGCIHBG-NSHDSACASA-N 2 0 214.353 1.472 20 0 BDADRP c1cncc(CC[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261557793 135198463 /nfs/dbraw/zinc/19/84/63/135198463.db2.gz SBRUGBYNWDLMOC-KGLIPLIRSA-N 2 0 231.343 1.165 20 0 BDADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3F)C[C@H]12 ZINC000261558080 135198468 /nfs/dbraw/zinc/19/84/68/135198468.db2.gz SGCLQFMCTRFHNB-VHRBIJSZSA-N 2 0 234.318 1.995 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3F)C[C@H]12 ZINC000261558079 135198502 /nfs/dbraw/zinc/19/85/02/135198502.db2.gz SGCLQFMCTRFHNB-SCDSUCTJSA-N 2 0 234.318 1.995 20 0 BDADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCOc3ccccc3)C[C@H]12 ZINC000261558204 135198631 /nfs/dbraw/zinc/19/86/31/135198631.db2.gz CZMBIXKLBILUPF-AEGPPILISA-N 2 0 246.354 1.735 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CC[C@H](C2CC2)C1 ZINC000261560069 135201505 /nfs/dbraw/zinc/20/15/05/135201505.db2.gz ZMCNCLMPIYBPAL-YPMHNXCESA-N 2 0 208.349 1.718 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000261561194 135201691 /nfs/dbraw/zinc/20/16/91/135201691.db2.gz ALNNCEDSSFGSJB-GFCCVEGCSA-N 2 0 212.337 1.226 20 0 BDADRP CC(C)n1cc(CN2CC[C@](C)(C[NH3+])C2)cn1 ZINC000261563416 135205445 /nfs/dbraw/zinc/20/54/45/135205445.db2.gz XCBNLMHDXKKJKK-CYBMUJFWSA-N 2 0 236.363 1.635 20 0 BDADRP C[C@H](c1cccnc1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261564410 135206112 /nfs/dbraw/zinc/20/61/12/135206112.db2.gz CMVCVCWRLGHVSC-DGCLKSJQSA-N 2 0 219.332 1.813 20 0 BDADRP COCC1(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])CCC1 ZINC000261568738 135210753 /nfs/dbraw/zinc/21/07/53/135210753.db2.gz FURRKIAPTHYYGC-NEPJUHHUSA-N 2 0 226.364 1.520 20 0 BDADRP Cc1nc(C)c(C[NH2+][C@@H]2CCC[NH2+]CC2)s1 ZINC000261569721 135212382 /nfs/dbraw/zinc/21/23/82/135212382.db2.gz GMOOFXAADDQXIZ-LLVKDONJSA-N 2 0 239.388 1.992 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCS1 ZINC000164153399 135214611 /nfs/dbraw/zinc/21/46/11/135214611.db2.gz WJFIIPBTTLAHOK-NEPJUHHUSA-N 2 0 228.405 1.813 20 0 BDADRP C[C@](C[NH3+])([NH2+]CCOCC1CC1)C1CC1 ZINC000261585462 135226746 /nfs/dbraw/zinc/22/67/46/135226746.db2.gz QJTOLVWZJGRPNJ-GFCCVEGCSA-N 2 0 212.337 1.130 20 0 BDADRP Cc1[nH+]ccc(NC[C@H]2C[NH2+]CCO2)c1Cl ZINC000261587335 135228714 /nfs/dbraw/zinc/22/87/14/135228714.db2.gz RSYDNZLDXLLISA-SECBINFHSA-N 2 0 241.722 1.444 20 0 BDADRP [NH3+]CC[C@@H]1CCCCN1Cc1ccon1 ZINC000261590595 135230990 /nfs/dbraw/zinc/23/09/90/135230990.db2.gz UQJZDCNTQWXKAD-NSHDSACASA-N 2 0 209.293 1.378 20 0 BDADRP [NH3+]CC[C@H]1CCCCN1Cc1ccon1 ZINC000261590589 135231088 /nfs/dbraw/zinc/23/10/88/135231088.db2.gz UQJZDCNTQWXKAD-LLVKDONJSA-N 2 0 209.293 1.378 20 0 BDADRP [NH3+]C[C@H]1CCC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000261595782 135236244 /nfs/dbraw/zinc/23/62/44/135236244.db2.gz YLVXPRZFJUJMTH-VXGBXAGGSA-N 2 0 212.337 1.084 20 0 BDADRP C(C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)[C@@H]1CCCO1 ZINC000261596882 135237239 /nfs/dbraw/zinc/23/72/39/135237239.db2.gz ZAWUGJVUASMIOZ-STQMWFEESA-N 2 0 224.348 1.241 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccon2)C1 ZINC000261599739 135237403 /nfs/dbraw/zinc/23/74/03/135237403.db2.gz ZZSPWHLPWWFHHG-JTQLQIEISA-N 2 0 209.293 1.235 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CC[C@H]2CCOC2)C1 ZINC000261546385 135238262 /nfs/dbraw/zinc/23/82/62/135238262.db2.gz KZVWCQQQRNJSFT-SRVKXCTJSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@@H]1[N@H+](CC(C)(C)[NH3+])CCC12CCOCC2 ZINC000261652208 135242302 /nfs/dbraw/zinc/24/23/02/135242302.db2.gz BCEADHIQDUXBDC-NSHDSACASA-N 2 0 226.364 1.615 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)CN1C[C@H]1CCC[NH2+]C1 ZINC000261654268 135242576 /nfs/dbraw/zinc/24/25/76/135242576.db2.gz BGTBJKWNSHSIJM-UPJWGTAASA-N 2 0 225.380 1.010 20 0 BDADRP COCC1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000084386027 135244598 /nfs/dbraw/zinc/24/45/98/135244598.db2.gz TXHGLFCNUMHILR-GFCCVEGCSA-N 2 0 226.364 1.344 20 0 BDADRP C[C@H]1CSCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000084386037 135244644 /nfs/dbraw/zinc/24/46/44/135244644.db2.gz JJIOIRDRJFWAGN-QWRGUYRKSA-N 2 0 214.378 1.423 20 0 BDADRP CCC[C@H]1CNCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261683610 135245783 /nfs/dbraw/zinc/24/57/83/135245783.db2.gz INTWQAPYQPDGSV-ZDUSSCGKSA-N 2 0 225.380 1.060 20 0 BDADRP Cc1cc(C[NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)on1 ZINC000261728682 135248369 /nfs/dbraw/zinc/24/83/69/135248369.db2.gz ODOKIPLFGAXXRU-ONGXEEELSA-N 2 0 223.320 1.461 20 0 BDADRP CC[C@]1(CO)CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261780266 135252801 /nfs/dbraw/zinc/25/28/01/135252801.db2.gz FIGVGHYNORPXBU-CYBMUJFWSA-N 2 0 226.364 1.223 20 0 BDADRP CC(C)n1nccc1CN1C[C@H](C[NH3+])C[C@H]1C ZINC000261796103 135253764 /nfs/dbraw/zinc/25/37/64/135253764.db2.gz GPHJXQAIDFGZEA-NEPJUHHUSA-N 2 0 236.363 1.633 20 0 BDADRP C[C@H]([NH3+])CC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000261812100 135255092 /nfs/dbraw/zinc/25/50/92/135255092.db2.gz LXDYQWYLXCOVMM-QJPTWQEYSA-N 2 0 241.379 1.103 20 0 BDADRP CC[C@@]1(C)COCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261813327 135255604 /nfs/dbraw/zinc/25/56/04/135255604.db2.gz HUQFQBFHJUOKQN-ZDUSSCGKSA-N 2 0 226.364 1.487 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000261833773 135255854 /nfs/dbraw/zinc/25/58/54/135255854.db2.gz JIIBOUWMLFHXBU-MCIONIFRSA-N 2 0 238.375 1.344 20 0 BDADRP CC[C@@H]1C[C@@H](C[N@@H+]2CC[C@@](C)(C[NH3+])C2)CCO1 ZINC000261897894 135260973 /nfs/dbraw/zinc/26/09/73/135260973.db2.gz WDMBXGIHBGSXFA-MJBXVCDLSA-N 2 0 240.391 1.862 20 0 BDADRP C([C@H]1CCC[NH2+]C1)[N@@H+]1CCOCC2(CCC2)C1 ZINC000261923024 135263878 /nfs/dbraw/zinc/26/38/78/135263878.db2.gz KSTGIVQOWBEKKU-ZDUSSCGKSA-N 2 0 238.375 1.489 20 0 BDADRP C[N@H+](CC[C@H]1CCCO1)C[C@@]1(C)CC[NH2+]C1 ZINC000261948453 135265493 /nfs/dbraw/zinc/26/54/93/135265493.db2.gz FQPVHTSTAKKGPG-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)[C@@H](C)C2C[NH2+]C2)c1 ZINC000262009935 135272061 /nfs/dbraw/zinc/27/20/61/135272061.db2.gz BWAPFUAKUKZEHW-JTQLQIEISA-N 2 0 247.342 1.200 20 0 BDADRP COC[C@@H]1CCCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262044697 135275827 /nfs/dbraw/zinc/27/58/27/135275827.db2.gz PPJNTWBATUJNHI-KGLIPLIRSA-N 2 0 240.391 1.735 20 0 BDADRP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]CC1CCCCCC1 ZINC000262069754 135276469 /nfs/dbraw/zinc/27/64/69/135276469.db2.gz BZLVTNNNLHSCIB-QWHCGFSZSA-N 2 0 226.364 1.127 20 0 BDADRP CCOC[C@H]1CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262144618 135281296 /nfs/dbraw/zinc/28/12/96/135281296.db2.gz ZKTXBLNUGNXVJE-KBPBESRZSA-N 2 0 240.391 1.735 20 0 BDADRP CCCN(CCOCC(F)F)[C@@H]1CC[NH2+]C1 ZINC000262193409 135285619 /nfs/dbraw/zinc/28/56/19/135285619.db2.gz ZBKXRLQIFHOAAA-SNVBAGLBSA-N 2 0 236.306 1.342 20 0 BDADRP C[N@H+](CC1CC[NH2+]CC1)C[C@H]1CCCC[C@H]1O ZINC000262288860 135290871 /nfs/dbraw/zinc/29/08/71/135290871.db2.gz VUCZFVXYVPGQQJ-ZIAGYGMSSA-N 2 0 240.391 1.469 20 0 BDADRP CC[C@@H]1CCC[N@H+](CCN2CC[NH2+]CC2)CC1 ZINC000079342598 135307011 /nfs/dbraw/zinc/30/70/11/135307011.db2.gz VCDZMYNMZPVNAI-CQSZACIVSA-N 2 0 239.407 1.404 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000262589639 135307545 /nfs/dbraw/zinc/30/75/45/135307545.db2.gz QNCJRQHLHDBQIS-LOWVWBTDSA-N 2 0 241.379 1.090 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)C2([NH3+])CCCCC2)C1 ZINC000262757960 135317037 /nfs/dbraw/zinc/31/70/37/135317037.db2.gz FAEJVLVDHGRYEL-GHMZBOCLSA-N 2 0 239.363 1.034 20 0 BDADRP Cc1cccc(NC[C@@H]2CCN(CC[NH3+])C2)[nH+]1 ZINC000263000811 135326847 /nfs/dbraw/zinc/32/68/47/135326847.db2.gz OSCQIVILKNYFAW-LBPRGKRZSA-N 2 0 234.347 1.083 20 0 BDADRP Cc1cnc(CN2CC[N@@H+]3CCCC[C@@H]3C2)n1C ZINC000342773459 135327475 /nfs/dbraw/zinc/32/74/75/135327475.db2.gz CPRHPUMOQSIVKR-CYBMUJFWSA-N 2 0 248.374 1.399 20 0 BDADRP C[C@H]1CCN(CC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000263021747 135327643 /nfs/dbraw/zinc/32/76/43/135327643.db2.gz QZBXIGSCFOQZBC-AWEZNQCLSA-N 2 0 247.386 1.542 20 0 BDADRP C[C@@H](C[NH2+]Cc1cc[nH]c1)C[NH+]1CCCC1 ZINC000080774054 135385153 /nfs/dbraw/zinc/38/51/53/135385153.db2.gz GVTKVOCWUIQCKD-LBPRGKRZSA-N 2 0 221.348 1.836 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H](C)C[C@@H](C)O)CC1 ZINC000164516159 135386900 /nfs/dbraw/zinc/38/69/00/135386900.db2.gz JCEZDKJIAJBBDQ-NWDGAFQWSA-N 2 0 228.380 1.610 20 0 BDADRP O[C@@H]1CC[N@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000334406053 135394343 /nfs/dbraw/zinc/39/43/43/135394343.db2.gz HRDYJPPNKYMVRP-LLVKDONJSA-N 2 0 249.339 1.500 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCc2cn[nH]c2)C1 ZINC000347733283 136004313 /nfs/dbraw/zinc/00/43/13/136004313.db2.gz BTERZNBFKOYIJQ-ZDUSSCGKSA-N 2 0 236.363 1.226 20 0 BDADRP CC[C@H]1CC[C@H]1[NH2+]CC1CC[NH+](CCO)CC1 ZINC000348103423 136036550 /nfs/dbraw/zinc/03/65/50/136036550.db2.gz BOVTTYSCUVMUID-UONOGXRCSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CCC[NH2+]CC2)cc1 ZINC000335390031 136090731 /nfs/dbraw/zinc/09/07/31/136090731.db2.gz KSFRJRXRFBDTKV-LLVKDONJSA-N 2 0 247.342 1.142 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCC[C@H]2[NH3+])CC1 ZINC000335562276 136106677 /nfs/dbraw/zinc/10/66/77/136106677.db2.gz BKQHDQJJTXBGKT-NEPJUHHUSA-N 3 0 225.380 1.188 20 0 BDADRP CN(C[C@H]1CCC[N@@H+]1C)C[C@H]1CCC[NH+](C)C1 ZINC000649539489 397933541 /nfs/dbraw/zinc/93/35/41/397933541.db2.gz XDJDHCACNSTFRO-UONOGXRCSA-N 2 0 239.407 1.354 20 0 BDADRP C1C[NH2+][C@H](c2noc([C@H]3CCC[NH2+]CC3)n2)C1 ZINC000650227977 397997963 /nfs/dbraw/zinc/99/79/63/397997963.db2.gz PYEUHMCAEIAZAC-UWVGGRQHSA-N 2 0 236.319 1.351 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[N@H+](C)CC[C@@H]1C ZINC000414690018 398019875 /nfs/dbraw/zinc/01/98/75/398019875.db2.gz HFLVHVMSLWPQMG-STQMWFEESA-N 2 0 227.396 1.386 20 0 BDADRP [NH3+]CCC[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000414705537 398021815 /nfs/dbraw/zinc/02/18/15/398021815.db2.gz KMGFRADJNYXWSU-LLVKDONJSA-N 2 0 249.362 1.210 20 0 BDADRP C[C@H]1C[C@@H](C[N@@H+]2CCO[C@H]3CCC[C@H]32)CC[NH2+]1 ZINC000414763669 398028198 /nfs/dbraw/zinc/02/81/98/398028198.db2.gz NFLYSROMDVKDLP-FQUUOJAGSA-N 2 0 238.375 1.628 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000414774257 398033212 /nfs/dbraw/zinc/03/32/12/398033212.db2.gz BBWMZMUOEGOJKB-UONOGXRCSA-N 2 0 239.407 1.435 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)NC[C@@H]1CCC[NH2+]C1 ZINC000414853937 398060992 /nfs/dbraw/zinc/06/09/92/398060992.db2.gz LNCOVSVLUGYGAB-UPJWGTAASA-N 2 0 225.380 1.106 20 0 BDADRP C[C@@H]1CCC[C@H](C[NH2+]CCN2CC[NH2+]CC2)C1 ZINC000414887988 398082741 /nfs/dbraw/zinc/08/27/41/398082741.db2.gz RPLTZLHPENXDCM-KGLIPLIRSA-N 2 0 239.407 1.308 20 0 BDADRP COCC[N@H+](C)CCC[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638358992 398085152 /nfs/dbraw/zinc/08/51/52/398085152.db2.gz DQYBXCGKOJDTRO-BTTYYORXSA-N 2 0 240.391 1.590 20 0 BDADRP COCC(C)(C)C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000414948258 398122284 /nfs/dbraw/zinc/12/22/84/398122284.db2.gz LYHVJAXHLXMOIQ-QWRGUYRKSA-N 2 0 214.353 1.389 20 0 BDADRP COC(=O)C(C)(C)CC[NH2+]C1(C)CC[NH2+]CC1 ZINC000414948462 398122830 /nfs/dbraw/zinc/12/28/30/398122830.db2.gz YKNCBUXONWGZQR-UHFFFAOYSA-N 2 0 242.363 1.307 20 0 BDADRP CCC[C@@H](C)C[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000414948281 398122930 /nfs/dbraw/zinc/12/29/30/398122930.db2.gz WYQCWYMMPBUXLR-CHWSQXEVSA-N 2 0 228.380 1.781 20 0 BDADRP C[C@H](CCC1CC1)[NH2+]CCN1CC[NH2+]CC1 ZINC000398108273 322864603 /nfs/dbraw/zinc/86/46/03/322864603.db2.gz WTGHPJHIFWNVFW-GFCCVEGCSA-N 2 0 225.380 1.060 20 0 BDADRP CO[C@@H](C[NH2+][C@H]1CC[NH2+]CC1(C)C)C1CCC1 ZINC000662275549 487529354 /nfs/dbraw/zinc/52/93/54/487529354.db2.gz BVXAROKVTMWQGG-STQMWFEESA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCOC1(C)C)C1CC[NH+](C)CC1 ZINC000392897976 487557712 /nfs/dbraw/zinc/55/77/12/487557712.db2.gz YJLSKXFTUFLBIC-DGCLKSJQSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]([NH2+]CC1(CO)CCC1)C1CC[NH+](C)CC1 ZINC000680354688 487573143 /nfs/dbraw/zinc/57/31/43/487573143.db2.gz IZDTVGAWKGHFTB-GFCCVEGCSA-N 2 0 240.391 1.469 20 0 BDADRP CC(C)OCCC[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000336679603 167214772 /nfs/dbraw/zinc/21/47/72/167214772.db2.gz ALMQLIAUOJWWLK-NEPJUHHUSA-N 2 0 214.353 1.471 20 0 BDADRP CC(C)OCC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000370696377 167232344 /nfs/dbraw/zinc/23/23/44/167232344.db2.gz GDDSQZYAOCKWGY-ZDUSSCGKSA-N 2 0 228.380 1.828 20 0 BDADRP COCC[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000532291111 487601724 /nfs/dbraw/zinc/60/17/24/487601724.db2.gz HYHXUJUGUIIRMQ-KBPBESRZSA-N 2 0 240.391 1.829 20 0 BDADRP CO[C@H](C)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000223866033 487604188 /nfs/dbraw/zinc/60/41/88/487604188.db2.gz YPZVJCODTWSTJS-MNOVXSKESA-N 2 0 214.353 1.341 20 0 BDADRP C[C@@H](NC(=O)[C@H](C)[NH+](C)C)C(C)(C)C[NH+](C)C ZINC000674716246 487608638 /nfs/dbraw/zinc/60/86/38/487608638.db2.gz ZOQSGYRYENPBIR-WDEREUQCSA-N 2 0 243.395 1.029 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1)C1CCCC1 ZINC000662265843 409559307 /nfs/dbraw/zinc/55/93/07/409559307.db2.gz JEVUVYFEKZQZTR-FPMFFAJLSA-N 2 0 240.391 1.861 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1)C1CCC1 ZINC000662264210 409562209 /nfs/dbraw/zinc/56/22/09/409562209.db2.gz CGIUPBSCYXOKQU-WCFLWFBJSA-N 2 0 226.364 1.471 20 0 BDADRP C[NH2+]CC1CC[NH+](Cc2cc(C3CC3)no2)CC1 ZINC000662245624 409538286 /nfs/dbraw/zinc/53/82/86/409538286.db2.gz MDUPRKOTYJTKHB-UHFFFAOYSA-N 2 0 249.358 1.983 20 0 BDADRP CN(Cc1cc(C2CC2)no1)C1CC([NH3+])C1 ZINC000662274683 409585220 /nfs/dbraw/zinc/58/52/20/409585220.db2.gz WBZDUDHGXMYANR-UHFFFAOYSA-N 2 0 221.304 1.474 20 0 BDADRP C([C@@H]1C[C@H]2C[C@H]2C1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000662275052 409586332 /nfs/dbraw/zinc/58/63/32/409586332.db2.gz QNZFIJFOTYWLMK-PDWCTOEPSA-N 2 0 220.360 1.716 20 0 BDADRP C[C@@H]1CCCC[C@@H]1C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662283815 409614825 /nfs/dbraw/zinc/61/48/25/409614825.db2.gz KSDATWNZTSILGE-CHWSQXEVSA-N 2 0 240.391 1.517 20 0 BDADRP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H]([NH3+])C(C)C ZINC000662422303 409709844 /nfs/dbraw/zinc/70/98/44/409709844.db2.gz HLIPSTPSLGLKLI-RYUDHWBXSA-N 2 0 243.395 1.097 20 0 BDADRP COCCC[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404313865 409665262 /nfs/dbraw/zinc/66/52/62/409665262.db2.gz MYRDUWOPQHKILM-VXGBXAGGSA-N 2 0 214.353 1.472 20 0 BDADRP C[C@H](CCNC(=O)[C@@H]([NH3+])c1ccccc1)[NH+](C)C ZINC000662636592 409807090 /nfs/dbraw/zinc/80/70/90/409807090.db2.gz ZJOVPYZLIYMBBH-YPMHNXCESA-N 2 0 249.358 1.143 20 0 BDADRP CC(C)C[N@H+](C)CCCNC(=O)CC(C)(C)[NH3+] ZINC000653175821 410153182 /nfs/dbraw/zinc/15/31/82/410153182.db2.gz BXNRCFHWRZKIJR-UHFFFAOYSA-N 2 0 243.395 1.208 20 0 BDADRP C[NH2+]CCCC(=O)NCCC[N@H+](C)CC(C)C ZINC000653176244 410151844 /nfs/dbraw/zinc/15/18/44/410151844.db2.gz NWFJBOCDPHQADN-UHFFFAOYSA-N 2 0 243.395 1.080 20 0 BDADRP Cc1ccncc1C[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000663502398 410278922 /nfs/dbraw/zinc/27/89/22/410278922.db2.gz HZJMDFFHTUSOLI-CYBMUJFWSA-N 2 0 221.348 1.853 20 0 BDADRP C[NH2+]C[C@H](C)N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000663512943 410283862 /nfs/dbraw/zinc/28/38/62/410283862.db2.gz HWXDIXIJRHGFAZ-UMSGYPCISA-N 2 0 225.380 1.105 20 0 BDADRP Cc1n[nH]c(C)c1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709135 410340546 /nfs/dbraw/zinc/34/05/46/410340546.db2.gz FLWVQPYDUYLHGI-JSGCOSHPSA-N 2 0 248.374 1.587 20 0 BDADRP C[C@@H]1CCCN(CC[NH2+]C(C)(C)C)[C@@H]1CC[NH3+] ZINC000650712121 410341536 /nfs/dbraw/zinc/34/15/36/410341536.db2.gz RCJSFEFWQRDKNK-CHWSQXEVSA-N 2 0 241.423 1.824 20 0 BDADRP Cc1n[nH]cc1C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000650711540 410342422 /nfs/dbraw/zinc/34/24/22/410342422.db2.gz WPTIVBZEYCZTLC-GWCFXTLKSA-N 2 0 236.363 1.667 20 0 BDADRP CC(C)n1cc(C[NH2+]CCC2(C[NH3+])CC2)cn1 ZINC000650712631 410342721 /nfs/dbraw/zinc/34/27/21/410342721.db2.gz MOAQDOZBNAQMTD-UHFFFAOYSA-N 2 0 236.363 1.683 20 0 BDADRP C[C@@H](CO)C1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000650714926 410347969 /nfs/dbraw/zinc/34/79/69/410347969.db2.gz HPZMFVYAMXXKCE-JSGCOSHPSA-N 2 0 240.391 1.326 20 0 BDADRP CC[C@H](COC)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650717405 410353021 /nfs/dbraw/zinc/35/30/21/410353021.db2.gz ZNBJGVMDSNUANP-GFCCVEGCSA-N 2 0 240.322 1.799 20 0 BDADRP c1ccc2c(c1)C[C@H]([NH2+]CC1CC[NH2+]CC1)CN2 ZINC000650716322 410353666 /nfs/dbraw/zinc/35/36/66/410353666.db2.gz XPYHNWGBSDNIDF-AWEZNQCLSA-N 2 0 245.370 1.612 20 0 BDADRP COCC(C)(C)C[NH+]1CCC(CC[NH3+])CC1 ZINC000650722052 410360331 /nfs/dbraw/zinc/36/03/31/410360331.db2.gz JOVBGKOUUGHHOV-UHFFFAOYSA-N 2 0 228.380 1.720 20 0 BDADRP Nc1ccc(C[NH+]2CCC(CC[NH3+])CC2)cn1 ZINC000650721692 410361604 /nfs/dbraw/zinc/36/16/04/410361604.db2.gz YGFYNZBUMKVNCM-UHFFFAOYSA-N 2 0 234.347 1.055 20 0 BDADRP CC(C)C[N@H+](C)CCCN[C@H](C)C[C@H](C)[NH3+] ZINC000650740728 410375648 /nfs/dbraw/zinc/37/56/48/410375648.db2.gz PIVPCNOKKQGYGI-QWHCGFSZSA-N 2 0 229.412 1.680 20 0 BDADRP COC[C@H]([NH2+]CCC1(C[NH3+])CC1)C(C)C ZINC000650744048 410379825 /nfs/dbraw/zinc/37/98/25/410379825.db2.gz DZFZMZXPLJFEQZ-NSHDSACASA-N 2 0 214.353 1.376 20 0 BDADRP Cc1nn(C)cc1[C@@H](C)[NH2+]CCC1(C[NH3+])CC1 ZINC000650744379 410380507 /nfs/dbraw/zinc/38/05/07/410380507.db2.gz MTWRPSZBRYRXPB-SNVBAGLBSA-N 2 0 236.363 1.508 20 0 BDADRP CC[C@H]([NH2+]CCC1(C[NH3+])CC1)c1cnn(C)c1 ZINC000650744521 410380591 /nfs/dbraw/zinc/38/05/91/410380591.db2.gz PCEYNUYGUMTUDH-LBPRGKRZSA-N 2 0 236.363 1.590 20 0 BDADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+]CCC1(C[NH3+])CC1 ZINC000650747123 410384727 /nfs/dbraw/zinc/38/47/27/410384727.db2.gz SEPUQRPLUBNUMO-LBPRGKRZSA-N 2 0 248.374 1.516 20 0 BDADRP Cn1cc2c(n1)CCC[C@H]2[NH2+]CCC1(C[NH3+])CC1 ZINC000650747122 410385287 /nfs/dbraw/zinc/38/52/87/410385287.db2.gz SEPUQRPLUBNUMO-GFCCVEGCSA-N 2 0 248.374 1.516 20 0 BDADRP [NH3+]CC1(CC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000650748654 410390316 /nfs/dbraw/zinc/39/03/16/410390316.db2.gz YWJXASOXWJKIPA-VXGBXAGGSA-N 3 0 225.380 1.365 20 0 BDADRP [NH3+]Cc1ccc(CN[C@@H]2CCC[C@@H]2[NH3+])c(F)c1 ZINC000650756182 410402730 /nfs/dbraw/zinc/40/27/30/410402730.db2.gz WBHKXTAADOWUQQ-QWHCGFSZSA-N 2 0 237.322 1.254 20 0 BDADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1cnccc1N ZINC000650762148 410411691 /nfs/dbraw/zinc/41/16/91/410411691.db2.gz VDKCDUVYQXSNQQ-LLVKDONJSA-N 2 0 248.374 1.534 20 0 BDADRP CC[C@H]([NH2+]CCC1CC[NH2+]CC1)[C@H]1CCOC1 ZINC000650764190 410414290 /nfs/dbraw/zinc/41/42/90/410414290.db2.gz SEELGOCKJDHMFQ-KBPBESRZSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1cnn(C)c1 ZINC000650763975 410414520 /nfs/dbraw/zinc/41/45/20/410414520.db2.gz NFRQAHJQTARALR-LLVKDONJSA-N 2 0 236.363 1.460 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC2CC[NH2+]CC2)CC[N@@H+]1C ZINC000650763925 410414646 /nfs/dbraw/zinc/41/46/46/410414646.db2.gz MHEFBVQRRGAGIU-TZMCWYRMSA-N 3 0 239.407 1.448 20 0 BDADRP CCCN1CC[C@@H]([NH2+][C@@H](COC)C(C)C)C1 ZINC000328149609 487617216 /nfs/dbraw/zinc/61/72/16/487617216.db2.gz DCTWMWGLJLUQTD-OLZOCXBDSA-N 2 0 228.380 1.731 20 0 BDADRP COC[C@H](CC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)OC ZINC000665234782 410726665 /nfs/dbraw/zinc/72/66/65/410726665.db2.gz KBBMURKPGUYZQS-RWMBFGLXSA-N 2 0 244.379 1.016 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1ccoc1 ZINC000665261890 410734269 /nfs/dbraw/zinc/73/42/69/410734269.db2.gz NYSCHLJEXUHEBN-WCQYABFASA-N 2 0 222.332 1.800 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCC[C@H](C)O1 ZINC000665264968 410737075 /nfs/dbraw/zinc/73/70/75/410737075.db2.gz NDIKOCLGBRAKPY-AVGNSLFASA-N 2 0 244.379 1.288 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)C1C[NH2+]C1 ZINC000665265035 410737182 /nfs/dbraw/zinc/73/71/82/410737182.db2.gz OCRIBDGTMVFGCU-FOGDFJRCSA-N 2 0 212.337 1.142 20 0 BDADRP C[C@]1(CC[NH2+][C@@H]2CCC[C@@H]2[NH3+])CC1(F)F ZINC000665266662 410739786 /nfs/dbraw/zinc/73/97/86/410739786.db2.gz HDMRCKCLZAYPFN-AEJSXWLSSA-N 2 0 218.291 1.891 20 0 BDADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000653299342 410817010 /nfs/dbraw/zinc/81/70/10/410817010.db2.gz PSAKQDUBHNWCGT-GXTWGEPZSA-N 3 0 239.407 1.578 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000039185973 410808033 /nfs/dbraw/zinc/80/80/33/410808033.db2.gz QLCKKEDDTGRAGL-VXGBXAGGSA-N 2 0 204.317 1.947 20 0 BDADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCOCCF ZINC000665298821 410831174 /nfs/dbraw/zinc/83/11/74/410831174.db2.gz AIEOBAZHMGKZLD-QWHCGFSZSA-N 2 0 246.370 1.873 20 0 BDADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCOCCF ZINC000665298822 410831489 /nfs/dbraw/zinc/83/14/89/410831489.db2.gz AIEOBAZHMGKZLD-STQMWFEESA-N 2 0 246.370 1.873 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)C(=O)NC ZINC000020309004 169776766 /nfs/dbraw/zinc/77/67/66/169776766.db2.gz ZLGIRMAYOUBNAU-RYUDHWBXSA-N 2 0 243.395 1.221 20 0 BDADRP C[C@H]([NH3+])CC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000040803428 410890945 /nfs/dbraw/zinc/89/09/45/410890945.db2.gz VMLVMDGSEJYTIM-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP CC[C@H](C)[C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C ZINC000309238501 410903944 /nfs/dbraw/zinc/90/39/44/410903944.db2.gz KCKDXCXPEGOUFB-RWMBFGLXSA-N 2 0 230.396 1.712 20 0 BDADRP CC[C@H](O)[C@H](CC)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000313085688 410898307 /nfs/dbraw/zinc/89/83/07/410898307.db2.gz KNPIIQWCXJOWAE-WYUUTHIRSA-N 2 0 214.353 1.395 20 0 BDADRP CC(C)OCCC[NH2+][C@@H](C)CCCC[NH3+] ZINC000336713639 167223608 /nfs/dbraw/zinc/22/36/08/167223608.db2.gz VRKAHDPFBQJDPV-LBPRGKRZSA-N 2 0 216.369 1.909 20 0 BDADRP CC(C)OCC[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000250581194 167231102 /nfs/dbraw/zinc/23/11/02/167231102.db2.gz IVRGDSBDPPXOST-NWDGAFQWSA-N 2 0 214.353 1.471 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@H](CO)CCF)[C@H](C)C1 ZINC000652019087 410999113 /nfs/dbraw/zinc/99/91/13/410999113.db2.gz JIYCNMMVPJLCQP-WOPDTQHZSA-N 2 0 232.343 1.027 20 0 BDADRP CCO[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000042425530 411002848 /nfs/dbraw/zinc/00/28/48/411002848.db2.gz SYSLCEUOTBKLJA-CYBMUJFWSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H]1C[C@H](NC[C@H]2CCCC[NH2+]2)CC[N@@H+]1C ZINC000300055902 411077787 /nfs/dbraw/zinc/07/77/87/411077787.db2.gz JQVNWBDCISTCRL-JHJVBQTASA-N 2 0 225.380 1.201 20 0 BDADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000651864884 411147656 /nfs/dbraw/zinc/14/76/56/411147656.db2.gz HXGVCHPODZXCEK-UONOGXRCSA-N 2 0 242.407 1.979 20 0 BDADRP CC(C)C[N@H+](C)CCCN[C@H]1C[NH+](C)C[C@@H]1C ZINC000651865663 411147762 /nfs/dbraw/zinc/14/77/62/411147762.db2.gz CPUZCZURDWCWFF-KBPBESRZSA-N 2 0 241.423 1.504 20 0 BDADRP CC[C@@H]1C[N@H+](CC[C@H]2CCOC2)CC[C@H]1[NH3+] ZINC000400676889 411158508 /nfs/dbraw/zinc/15/85/08/411158508.db2.gz UZWHSHJJBILITO-YNEHKIRRSA-N 2 0 226.364 1.472 20 0 BDADRP C([C@H]1CC[NH2+]C1)[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000655945730 411160987 /nfs/dbraw/zinc/16/09/87/411160987.db2.gz GAMITFYJASFUME-JSGCOSHPSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@@H](O)C[N@H+](CC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000655949219 411161350 /nfs/dbraw/zinc/16/13/50/411161350.db2.gz PZOHAHFESDXGAV-NEPJUHHUSA-N 2 0 226.364 1.221 20 0 BDADRP C([C@@H]1CC[NH2+]C1)[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000655945732 411161800 /nfs/dbraw/zinc/16/18/00/411161800.db2.gz GAMITFYJASFUME-TZMCWYRMSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400997144 411168652 /nfs/dbraw/zinc/16/86/52/411168652.db2.gz JGCAXEMWYQVPII-QSLWVIQJSA-N 2 0 240.391 1.371 20 0 BDADRP C(C[C@@H]1CCOC1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401072261 411176214 /nfs/dbraw/zinc/17/62/14/411176214.db2.gz BJSRHICKVFQIAR-AAVRWANBSA-N 2 0 238.375 1.391 20 0 BDADRP FCCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401152634 411177922 /nfs/dbraw/zinc/17/79/22/411177922.db2.gz QBUDOPQDJNTQCN-QJPTWQEYSA-N 2 0 214.328 1.714 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1C1CC1 ZINC000659879980 411177956 /nfs/dbraw/zinc/17/79/56/411177956.db2.gz YYGSTXKBUTXNJP-ZIAGYGMSSA-N 2 0 240.391 1.562 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CO[C@H](C)C1 ZINC000402033844 411193421 /nfs/dbraw/zinc/19/34/21/411193421.db2.gz ZUPGSLGRMMQRJX-GMTAPVOTSA-N 2 0 200.326 1.271 20 0 BDADRP C[C@H](Cc1ccccn1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000656193227 411199547 /nfs/dbraw/zinc/19/95/47/411199547.db2.gz ALBXDCPCBDYGIJ-DYEKYZERSA-N 2 0 233.359 1.872 20 0 BDADRP C[C@H](Cc1ccccn1)[NH2+]CC1CC[NH2+]CC1 ZINC000656193953 411199840 /nfs/dbraw/zinc/19/98/40/411199840.db2.gz ZWHGHVPCONMVMD-GFCCVEGCSA-N 2 0 233.359 1.602 20 0 BDADRP C[C@@H](Cc1ccccn1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000656193912 411200089 /nfs/dbraw/zinc/20/00/89/411200089.db2.gz YGGPNMFYWXXPOK-STQMWFEESA-N 2 0 233.359 1.744 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000656197371 411203378 /nfs/dbraw/zinc/20/33/78/411203378.db2.gz DCVJUIJKSHSDFB-HZSPNIEDSA-N 3 0 237.391 1.330 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000656199746 411203834 /nfs/dbraw/zinc/20/38/34/411203834.db2.gz BXSTWBRZTVVREK-LPWJVIDDSA-N 3 0 225.380 1.186 20 0 BDADRP CO[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000656200185 411203841 /nfs/dbraw/zinc/20/38/41/411203841.db2.gz GSBUQFFCUPZMLK-WUHRBBMRSA-N 2 0 226.364 1.804 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000656200119 411204823 /nfs/dbraw/zinc/20/48/23/411204823.db2.gz JXZVQXYICSEAFW-CRWXNKLISA-N 3 0 239.407 1.576 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]1CCC[NH2+]1 ZINC000656200084 411205149 /nfs/dbraw/zinc/20/51/49/411205149.db2.gz JKLPVUFXWGAHQJ-FVCCEPFGSA-N 3 0 225.380 1.057 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652340885 411205456 /nfs/dbraw/zinc/20/54/56/411205456.db2.gz KWFFDKOBPAPBRU-IAQYHMDHSA-N 2 0 245.370 1.254 20 0 BDADRP C[C@H](Cc1ccccn1)N[C@H](C)[C@H]1CCC[NH2+]1 ZINC000656201238 411206665 /nfs/dbraw/zinc/20/66/65/411206665.db2.gz LADZTLZSCVLJQC-YRGRVCCFSA-N 2 0 233.359 1.743 20 0 BDADRP CCC[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652345369 411208911 /nfs/dbraw/zinc/20/89/11/411208911.db2.gz ANFGABXSIWROHG-YNEHKIRRSA-N 2 0 226.364 1.615 20 0 BDADRP CCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652360823 411216467 /nfs/dbraw/zinc/21/64/67/411216467.db2.gz RDHTZALBVBFYBW-UPJWGTAASA-N 2 0 226.364 1.757 20 0 BDADRP COC1CC(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000658057869 411223507 /nfs/dbraw/zinc/22/35/07/411223507.db2.gz ZWUKZFRBWAVCSY-AHPWVWPOSA-N 2 0 240.391 1.874 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCc1ccccc1O ZINC000422976275 411234967 /nfs/dbraw/zinc/23/49/67/411234967.db2.gz UVKRISYYFKVXKD-NWDGAFQWSA-N 2 0 220.316 1.404 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)C1CCCCC1 ZINC000310345244 411235101 /nfs/dbraw/zinc/23/51/01/411235101.db2.gz FUMDCIDWELPIHU-CQSZACIVSA-N 2 0 242.407 1.952 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[NH3+])Oc1ccccc1 ZINC000422976462 411236498 /nfs/dbraw/zinc/23/64/98/411236498.db2.gz DHHZKIBLTMFQEI-MRVWCRGKSA-N 2 0 234.343 1.923 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)CC1CCCC1 ZINC000310508475 411239254 /nfs/dbraw/zinc/23/92/54/411239254.db2.gz JRIJQCHYQWAVJS-CQSZACIVSA-N 2 0 242.407 1.810 20 0 BDADRP c1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)co1 ZINC000400947320 411165717 /nfs/dbraw/zinc/16/57/17/411165717.db2.gz DEIHEMLXYLGPTF-RWMBFGLXSA-N 2 0 220.316 1.757 20 0 BDADRP Cc1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000400947880 411165729 /nfs/dbraw/zinc/16/57/29/411165729.db2.gz BAOPKSUQQPILDH-BFHYXJOUSA-N 2 0 245.370 1.868 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCOC1 ZINC000400969183 411166434 /nfs/dbraw/zinc/16/64/34/411166434.db2.gz LXJOZZMODXCWRV-MQLXINIDSA-N 2 0 238.375 1.389 20 0 BDADRP COCCCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400974494 411167091 /nfs/dbraw/zinc/16/70/91/411167091.db2.gz RBEIKJMVQIILKH-MELADBBJSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400984872 411167172 /nfs/dbraw/zinc/16/71/72/411167172.db2.gz VXKDEGRWPBPFHH-RGDJUOJXSA-N 2 0 238.375 1.389 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400974541 411167296 /nfs/dbraw/zinc/16/72/96/411167296.db2.gz OJCPVLGQMKQPNC-MELADBBJSA-N 3 0 239.407 1.306 20 0 BDADRP CC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)COC1 ZINC000400980756 411167824 /nfs/dbraw/zinc/16/78/24/411167824.db2.gz VIDHYMQSVLXEES-QJPTWQEYSA-N 2 0 224.348 1.001 20 0 BDADRP CC[N@H+](CCC[NH2+]C)[C@@H]1CCCOC1 ZINC000402594353 411270977 /nfs/dbraw/zinc/27/09/77/411270977.db2.gz NIIMEAHTZFHLJX-LLVKDONJSA-N 2 0 200.326 1.097 20 0 BDADRP Cc1cc(C)n(CCN2CC[C@H]3CC[NH2+][C@H]3C2)n1 ZINC000649419194 411284191 /nfs/dbraw/zinc/28/41/91/411284191.db2.gz HWQNIAKNTBJBPX-KGLIPLIRSA-N 2 0 248.374 1.184 20 0 BDADRP CC[C@@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000658189989 411286103 /nfs/dbraw/zinc/28/61/03/411286103.db2.gz BAIVNXGAASJQIW-FDYHWXHSSA-N 2 0 226.364 1.220 20 0 BDADRP COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000219754763 411314080 /nfs/dbraw/zinc/31/40/80/411314080.db2.gz KFNFSPZBMNIOGG-SMDDNHRTSA-N 2 0 234.343 1.864 20 0 BDADRP COC[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402819578 411317702 /nfs/dbraw/zinc/31/77/02/411317702.db2.gz AMERIRAXSCCHQN-WOPDTQHZSA-N 2 0 212.337 1.082 20 0 BDADRP Cc1cc(C)cc(OCC[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000050247460 411255561 /nfs/dbraw/zinc/25/55/61/411255561.db2.gz UHIUEDQBGGEEHU-CQSZACIVSA-N 2 0 248.370 1.963 20 0 BDADRP Cc1cc(N[C@H](C)c2ncc[nH]2)nc(C)n1 ZINC000125260465 411357026 /nfs/dbraw/zinc/35/70/26/411357026.db2.gz VKGUDEDDFHIHTO-MRVPVSSYSA-N 2 0 217.276 1.990 20 0 BDADRP CC(C)C[C@H]([NH3+])CNCC1([NH3+])CCCC1 ZINC000656788926 411368754 /nfs/dbraw/zinc/36/87/54/411368754.db2.gz GJJXHYFFJBMBHE-NSHDSACASA-N 2 0 213.369 1.221 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCOC2(C)C)CC[N@@H+]1C ZINC000658330416 411338364 /nfs/dbraw/zinc/33/83/64/411338364.db2.gz JGPXGNFKBMKDHN-JHJVBQTASA-N 2 0 240.391 1.874 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH2+]CCc1ccoc1 ZINC000656714147 411338748 /nfs/dbraw/zinc/33/87/48/411338748.db2.gz LSLYYWPTBUSWIQ-ZDUSSCGKSA-N 2 0 240.347 1.113 20 0 BDADRP c1cc([C@H]2C[NH2+]CCO2)ccc1N[C@@H]1CC[NH2+]C1 ZINC000656793258 411372465 /nfs/dbraw/zinc/37/24/65/411372465.db2.gz SBMXXVUNSXSABO-ZIAGYGMSSA-N 2 0 247.342 1.121 20 0 BDADRP [NH3+]C1(c2noc([C@@H]3C[C@@]34CCC[NH2+]C4)n2)CCC1 ZINC000653490617 411381106 /nfs/dbraw/zinc/38/11/06/411381106.db2.gz PWBJLIIHHRVNGD-JOYOIKCWSA-N 2 0 248.330 1.265 20 0 BDADRP C1[C@@H](c2nc([C@@H]3CCC[NH2+]3)no2)[C@@]12CCC[NH2+]C2 ZINC000653491045 411381692 /nfs/dbraw/zinc/38/16/92/411381692.db2.gz IIELOJVPCLBBHK-KWBADKCTSA-N 2 0 248.330 1.351 20 0 BDADRP C[C@H]1OCC[C@@H]1[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000119912959 168179668 /nfs/dbraw/zinc/17/96/68/168179668.db2.gz XWHDGIPELOSKPD-KGLIPLIRSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000034978435 168183547 /nfs/dbraw/zinc/18/35/47/168183547.db2.gz ZMTMEYMLSLLNRK-GFCCVEGCSA-N 2 0 214.353 1.077 20 0 BDADRP CC[NH2+]Cc1ccccc1NC(=O)C[NH2+]C(C)C ZINC000659302299 411391268 /nfs/dbraw/zinc/39/12/68/411391268.db2.gz DOTPPRYWGWVMGN-UHFFFAOYSA-N 2 0 249.358 1.733 20 0 BDADRP C[C@H](c1ccncc1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000309436174 411383354 /nfs/dbraw/zinc/38/33/54/411383354.db2.gz MWQBFPHAKWZNMD-DGCLKSJQSA-N 2 0 219.332 1.813 20 0 BDADRP CC(C)[C@H](O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000644996388 411386569 /nfs/dbraw/zinc/38/65/69/411386569.db2.gz HHPCVJNZANDDON-CQSZACIVSA-N 2 0 249.358 1.221 20 0 BDADRP Cc1c[nH]c(CN[C@@H]2CC[N@@H+]3CCCC[C@H]23)n1 ZINC000657312911 411460742 /nfs/dbraw/zinc/46/07/42/411460742.db2.gz MCAPRYBMXCEVPY-VXGBXAGGSA-N 2 0 234.347 1.435 20 0 BDADRP COCCCC[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404427704 411396335 /nfs/dbraw/zinc/39/63/35/411396335.db2.gz MRNCJLMHBREFJU-QWHCGFSZSA-N 2 0 228.380 1.862 20 0 BDADRP [NH3+]Cc1cccc(NC(=O)C[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000653043242 411401861 /nfs/dbraw/zinc/40/18/61/411401861.db2.gz JHULKHWVLDVAMF-WCQYABFASA-N 2 0 247.342 1.601 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)CCO1 ZINC000070360488 411407826 /nfs/dbraw/zinc/40/78/26/411407826.db2.gz OZEKCYFLCXXNNV-MELADBBJSA-N 2 0 240.391 1.875 20 0 BDADRP CCO[C@@H]1C[N@H+](CCc2ccccc2)C[C@H]1C[NH3+] ZINC000405442265 411429574 /nfs/dbraw/zinc/42/95/74/411429574.db2.gz LNDKGCONHSCTCV-HUUCEWRRSA-N 2 0 248.370 1.525 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000414765632 411445175 /nfs/dbraw/zinc/44/51/75/411445175.db2.gz PWRCUYRKDUWJBP-CHWSQXEVSA-N 2 0 225.380 1.045 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]CC2=CC[N@H+](C)CC2)CO1 ZINC000657427393 411503585 /nfs/dbraw/zinc/50/35/85/411503585.db2.gz MXPKQVXYEYEVGF-QWHCGFSZSA-N 2 0 224.348 1.405 20 0 BDADRP CO[C@H](C)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657447849 411514085 /nfs/dbraw/zinc/51/40/85/411514085.db2.gz UYCBKZRWWOLAFW-LLVKDONJSA-N 2 0 246.314 1.392 20 0 BDADRP C[NH+](C)C1CC(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000655793040 411515686 /nfs/dbraw/zinc/51/56/86/411515686.db2.gz MWRRPUHGXOIQDX-AHPWVWPOSA-N 2 0 237.391 1.295 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c2nccn21 ZINC000655803878 411518428 /nfs/dbraw/zinc/51/84/28/411518428.db2.gz GWFRJLSBNHOUFF-RVMXOQNASA-N 2 0 248.374 1.819 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)[C@@H](C)O1 ZINC000655804312 411519042 /nfs/dbraw/zinc/51/90/42/411519042.db2.gz UDMRWVFZFWBDGO-KVSVUVNWSA-N 2 0 226.364 1.482 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2CCC(O)CC2)C1 ZINC000655804300 411519098 /nfs/dbraw/zinc/51/90/98/411519098.db2.gz SRQAWAHHJNGFOL-UODQLWRSSA-N 2 0 226.364 1.220 20 0 BDADRP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805011 411519214 /nfs/dbraw/zinc/51/92/14/411519214.db2.gz IFHLSCXPIFFHKB-ZMLRMANQSA-N 2 0 236.363 1.709 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCn3ccnc32)C1 ZINC000655804567 411519253 /nfs/dbraw/zinc/51/92/53/411519253.db2.gz ZRQLSMVYGDVDBA-TUAOUCFPSA-N 2 0 234.347 1.258 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2CCOCC2)C1 ZINC000655805782 411520536 /nfs/dbraw/zinc/52/05/36/411520536.db2.gz LDQGQEVOGJFYQW-KLPPZKSPSA-N 2 0 212.337 1.095 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CO1 ZINC000657483148 411528707 /nfs/dbraw/zinc/52/87/07/411528707.db2.gz KUFJLTWDULRXNI-URSGVKGYSA-N 2 0 238.375 1.769 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cscn2)C1 ZINC000655826571 411529755 /nfs/dbraw/zinc/52/97/55/411529755.db2.gz JGUPDAVQCNBPPJ-JGZJWPJOSA-N 2 0 225.361 1.573 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2[C@H]3COC[C@H]32)[C@@H](C)C1 ZINC000367708934 170020102 /nfs/dbraw/zinc/02/01/02/170020102.db2.gz QTAFCPINXOAFFO-YHQUGGNUSA-N 2 0 238.375 1.199 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@H](O)C(C)C)[C@H](C)C1 ZINC000305121222 170021553 /nfs/dbraw/zinc/02/15/53/170021553.db2.gz HEBDKSWVSAQXIV-RDBSUJKOSA-N 2 0 242.407 1.713 20 0 BDADRP CCN1C[C@H](C)[C@H]([NH2+]C[C@H]2CCCN2C)C1 ZINC000336780804 170038590 /nfs/dbraw/zinc/03/85/90/170038590.db2.gz SDSHSFHEPLOPMR-YNEHKIRRSA-N 2 0 225.380 1.010 20 0 BDADRP CC[NH2+]CC1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000053659218 170111884 /nfs/dbraw/zinc/11/18/84/170111884.db2.gz YMXZBQJKGXVIFF-UHFFFAOYSA-N 2 0 236.363 1.242 20 0 BDADRP CC[NH2+]CCNC(=O)CC1(C[NH3+])CCCCC1 ZINC000184131829 170113814 /nfs/dbraw/zinc/11/38/14/170113814.db2.gz WQPZYNFYRXHXCN-UHFFFAOYSA-N 2 0 241.379 1.011 20 0 BDADRP CC[NH2+]Cc1cccc(NC(=O)CCC[NH2+]C)c1 ZINC000178421783 170128364 /nfs/dbraw/zinc/12/83/64/170128364.db2.gz GDBGCBLXOAEUQQ-UHFFFAOYSA-N 2 0 249.358 1.734 20 0 BDADRP CC[NH2+]Cc1cccc(NC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000131641492 170128651 /nfs/dbraw/zinc/12/86/51/170128651.db2.gz DSYICEXVGCDCPB-ZDUSSCGKSA-N 2 0 247.342 1.487 20 0 BDADRP C[C@H](C[NH2+][C@H]1CN(C)C[C@@H]1C)c1ccccn1 ZINC000657533827 411545096 /nfs/dbraw/zinc/54/50/96/411545096.db2.gz DDIUNVYRKVMEMX-DYEKYZERSA-N 2 0 233.359 1.725 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H](C)C1 ZINC000660310611 411567223 /nfs/dbraw/zinc/56/72/23/411567223.db2.gz OUGNRKKVIPUIBY-UONOGXRCSA-N 2 0 242.407 1.810 20 0 BDADRP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@H]1CCC[C@@H](C)O1 ZINC000657662604 411575876 /nfs/dbraw/zinc/57/58/76/411575876.db2.gz BONFVYSSVXROLN-FDYHWXHSSA-N 2 0 226.364 1.484 20 0 BDADRP CCOCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127725121 170383307 /nfs/dbraw/zinc/38/33/07/170383307.db2.gz VASQPDOOOQYKPS-QWHCGFSZSA-N 2 0 226.364 1.629 20 0 BDADRP CCOCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747037 170388832 /nfs/dbraw/zinc/38/88/32/170388832.db2.gz SBQHYVOYIJLSAC-FOSCPWQOSA-N 2 0 212.337 1.238 20 0 BDADRP CCOCC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063200539 170398233 /nfs/dbraw/zinc/39/82/33/170398233.db2.gz OLGPJGZZVMDSAZ-CYBMUJFWSA-N 2 0 226.364 1.487 20 0 BDADRP COC[C@H](C)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663345872 411633443 /nfs/dbraw/zinc/63/34/43/411633443.db2.gz NDQPFBGKYNVRGH-GXTWGEPZSA-N 2 0 240.391 1.733 20 0 BDADRP COC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663345875 411633771 /nfs/dbraw/zinc/63/37/71/411633771.db2.gz NDQPFBGKYNVRGH-TZMCWYRMSA-N 2 0 240.391 1.733 20 0 BDADRP C[NH+](C)[C@@H]1CCC[N@@H+]([C@@H]2COC(C)(C)C2)CC1 ZINC000660415159 411581247 /nfs/dbraw/zinc/58/12/47/411581247.db2.gz ALDRBSOLWOIQSS-OLZOCXBDSA-N 2 0 240.391 1.970 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+]([C@@H]3COC(C)(C)C3)C2)C1 ZINC000660616122 411608081 /nfs/dbraw/zinc/60/80/81/411608081.db2.gz GYRYAQIMWJEQFC-GXTWGEPZSA-N 2 0 238.375 1.582 20 0 BDADRP COC[C@@H](C)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660659190 411614358 /nfs/dbraw/zinc/61/43/58/411614358.db2.gz NLYSBKXYQBSYSD-OLZOCXBDSA-N 2 0 226.364 1.439 20 0 BDADRP CC[C@H](O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660660024 411614920 /nfs/dbraw/zinc/61/49/20/411614920.db2.gz SLEBMCJAUFAYRZ-STQMWFEESA-N 2 0 226.364 1.175 20 0 BDADRP CO[C@@H](C)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660665122 411616031 /nfs/dbraw/zinc/61/60/31/411616031.db2.gz UMBIYJKXVPAACV-QWHCGFSZSA-N 2 0 226.364 1.439 20 0 BDADRP C[C@@H]1CCCN(C[C@@]23C[C@@H]2C[NH2+]C3)[C@@H]1CC[NH3+] ZINC000663497471 411678389 /nfs/dbraw/zinc/67/83/89/411678389.db2.gz OSSMQFGFGZRKAH-SYQHCUMBSA-N 2 0 237.391 1.045 20 0 BDADRP CCn1cc(C[NH2+]CC[C@@H]([NH3+])C(C)C)cn1 ZINC000663498097 411682250 /nfs/dbraw/zinc/68/22/50/411682250.db2.gz LDNBLUDRCMOECS-GFCCVEGCSA-N 2 0 224.352 1.366 20 0 BDADRP c1ccc2c(c1)C[C@H]([NH2+]C[C@]13C[C@H]1C[NH2+]C3)CN2 ZINC000663499470 411683102 /nfs/dbraw/zinc/68/31/02/411683102.db2.gz WGXLNDRMOSUXTM-KCQAQPDRSA-N 2 0 243.354 1.222 20 0 BDADRP CC(C)C[C@@H]([NH3+])CNCC[C@@H]([NH3+])C(C)C ZINC000663502080 411686050 /nfs/dbraw/zinc/68/60/50/411686050.db2.gz FJKXGKMCENERIK-VXGBXAGGSA-N 2 0 215.385 1.323 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cnc(N)s1 ZINC000663503379 411687519 /nfs/dbraw/zinc/68/75/19/411687519.db2.gz QMTGHIZSHLYUTH-SECBINFHSA-N 2 0 228.365 1.188 20 0 BDADRP CC[N@H+]1C[C@H](Nc2cc(CO)cc(C)n2)[C@@H](C)C1 ZINC000663709757 411729033 /nfs/dbraw/zinc/72/90/33/411729033.db2.gz ZCKAXRWJMPQZCO-GWCFXTLKSA-N 2 0 249.358 1.634 20 0 BDADRP CN(CC1C[NH+](C)C1)c1[nH+]ccc2[nH]ccc21 ZINC000664328967 411922375 /nfs/dbraw/zinc/92/23/75/411922375.db2.gz HQIUQINYGLPBRE-UHFFFAOYSA-N 2 0 230.315 1.561 20 0 BDADRP C[C@H](O)[C@H]1CCC[N@@H+]1CCCn1ccnc1 ZINC000661767594 411879074 /nfs/dbraw/zinc/87/90/74/411879074.db2.gz MTARTRXPSSDUDP-NWDGAFQWSA-N 2 0 223.320 1.118 20 0 BDADRP Cc1nccn1CC[N@H+]1CCC[C@@H]1[C@H](C)O ZINC000661767682 411879579 /nfs/dbraw/zinc/87/95/79/411879579.db2.gz OFJHZNXGJCWVSB-CMPLNLGQSA-N 2 0 223.320 1.037 20 0 BDADRP C(C[N@@H+]1CCC2(COC2)C1)C[NH+]1CCCCC1 ZINC000662071759 411971088 /nfs/dbraw/zinc/97/10/88/411971088.db2.gz BQAAIXUXSFSPSE-UHFFFAOYSA-N 2 0 238.375 1.585 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000662139322 412001151 /nfs/dbraw/zinc/00/11/51/412001151.db2.gz ATYGBXMJHXKGHU-ZIAGYGMSSA-N 2 0 242.407 1.669 20 0 BDADRP O[C@H]1CC[N@@H+](C2CC[NH+](CCC3CC3)CC2)C1 ZINC000662152612 412008442 /nfs/dbraw/zinc/00/84/42/412008442.db2.gz VRHIPBOYRVHONI-AWEZNQCLSA-N 2 0 238.375 1.318 20 0 BDADRP CCC[N@H+](C)CC(C)(C)NC(=O)CCC[NH2+]C ZINC000664719826 412014750 /nfs/dbraw/zinc/01/47/50/412014750.db2.gz DZYGYEQGCVEIET-UHFFFAOYSA-N 2 0 243.395 1.223 20 0 BDADRP CO[C@H](C[NH+]1CCC(C[NH3+])CC1)C1CCC1 ZINC000662235778 412034816 /nfs/dbraw/zinc/03/48/16/412034816.db2.gz SNILRUKISOWKMU-CYBMUJFWSA-N 2 0 226.364 1.472 20 0 BDADRP C[C@]1(C(F)F)C[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000662239048 412035225 /nfs/dbraw/zinc/03/52/25/412035225.db2.gz UNEUGXVDSAGFHV-GFCCVEGCSA-N 2 0 248.317 1.342 20 0 BDADRP C[NH2+][C@H]1CCN(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662239708 412037318 /nfs/dbraw/zinc/03/73/18/412037318.db2.gz FSXFYNIYRBNBIX-AWEZNQCLSA-N 2 0 245.370 1.126 20 0 BDADRP CC(C)[C@@](C)(C[NH3+])[NH2+]CCO[C@@H]1CC1(F)F ZINC000662249942 412046550 /nfs/dbraw/zinc/04/65/50/412046550.db2.gz VWUABVZFMKHDGO-NXEZZACHSA-N 2 0 236.306 1.374 20 0 BDADRP C([C@@H]1CCC2(C[NH2+]C2)O1)[NH+]1CCCCCC1 ZINC000662248922 412047345 /nfs/dbraw/zinc/04/73/45/412047345.db2.gz FNKQGGRZEZBSTA-LBPRGKRZSA-N 2 0 224.348 1.383 20 0 BDADRP CC1(C)CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662256128 412052024 /nfs/dbraw/zinc/05/20/24/412052024.db2.gz GRVPXTIUHQCFLW-GFCCVEGCSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@@H]1c2ccccc2CC[N@H+]1C[C@H]1CNCCO1 ZINC000662258626 412054713 /nfs/dbraw/zinc/05/47/13/412054713.db2.gz VZMYMDRZUUGDJA-TZMCWYRMSA-N 2 0 246.354 1.594 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000662264958 412056147 /nfs/dbraw/zinc/05/61/47/412056147.db2.gz FOCWNSDPSBUGNR-YYHQMBLXSA-N 2 0 208.349 1.702 20 0 BDADRP C[C@@H]1CN(Cc2cccc3c2CC[NH2+]C3)C[C@H]1[NH3+] ZINC000662276227 412066969 /nfs/dbraw/zinc/06/69/69/412066969.db2.gz HMJBEJHMWLUBOW-IAQYHMDHSA-N 2 0 245.370 1.111 20 0 BDADRP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000662276257 412068578 /nfs/dbraw/zinc/06/85/78/412068578.db2.gz IAIVDJAZCQJVGX-QWQWKMKNSA-N 2 0 208.349 1.844 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCO[C@H]1CC1(F)F ZINC000662283931 412074268 /nfs/dbraw/zinc/07/42/68/412074268.db2.gz RMMCMTRUDRGATF-BBBLOLIVSA-N 2 0 234.290 1.270 20 0 BDADRP CC[C@@H](C)[N@H+](CC)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662290194 412080520 /nfs/dbraw/zinc/08/05/20/412080520.db2.gz MSBCVIWVCLKBIG-VXGBXAGGSA-N 2 0 226.364 1.628 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662315092 412095563 /nfs/dbraw/zinc/09/55/63/412095563.db2.gz GJAMQQZVIWVXIR-CHWSQXEVSA-N 3 0 227.396 1.435 20 0 BDADRP C[C@@H]1CCC[N@H+](C[C@@H]2CCOC2)[C@@H]1CCC[NH3+] ZINC000662314116 412095597 /nfs/dbraw/zinc/09/55/97/412095597.db2.gz CFHGSXHEPAYOSA-HZSPNIEDSA-N 2 0 240.391 1.862 20 0 BDADRP Cc1ccc(CN2CCO[C@@H]([C@@H](C)[NH3+])C2)cc1C ZINC000132592003 412108290 /nfs/dbraw/zinc/10/82/90/412108290.db2.gz COKXBAMHGVFZTH-UKRRQHHQSA-N 2 0 248.370 1.851 20 0 BDADRP CC[C@H](C[NH2+][C@H](C)CCCC[NH3+])OC ZINC000336697588 171440794 /nfs/dbraw/zinc/44/07/94/171440794.db2.gz UTEPEKSGAOGLTQ-GHMZBOCLSA-N 2 0 202.342 1.519 20 0 BDADRP COC[C@@H](CC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)OC ZINC000665235017 412175209 /nfs/dbraw/zinc/17/52/09/412175209.db2.gz OEOACJZHYGZLNX-UPJWGTAASA-N 2 0 244.379 1.158 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000665236812 412177219 /nfs/dbraw/zinc/17/72/19/412177219.db2.gz VBTIMUMDIFLIKX-QJPTWQEYSA-N 2 0 227.396 1.575 20 0 BDADRP [NH3+]C1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCC1 ZINC000665248555 412195673 /nfs/dbraw/zinc/19/56/73/412195673.db2.gz ZDKHAGIQYFHNSX-QWHCGFSZSA-N 2 0 237.391 1.474 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1ccoc1 ZINC000665262949 412205100 /nfs/dbraw/zinc/20/51/00/412205100.db2.gz CKSSJDGEDRLIQG-OLZOCXBDSA-N 2 0 222.332 1.929 20 0 BDADRP COCc1csc(C[NH2+][C@H](C)C2C[NH2+]C2)c1 ZINC000665263056 412205210 /nfs/dbraw/zinc/20/52/10/412205210.db2.gz FIDRBJXXCMKSPM-SECBINFHSA-N 2 0 240.372 1.592 20 0 BDADRP CC[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000665262167 412205991 /nfs/dbraw/zinc/20/59/91/412205991.db2.gz VTIFRUBFSBJSOY-FDYHWXHSSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@@H]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)O1 ZINC000665265062 412208759 /nfs/dbraw/zinc/20/87/59/412208759.db2.gz OMRKNQAYRKSCJI-SYCZCVCYSA-N 2 0 238.375 1.817 20 0 BDADRP Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000665272939 412213315 /nfs/dbraw/zinc/21/33/15/412213315.db2.gz NUJMXLDEZHPHBN-CQDKDKBSSA-N 2 0 245.370 1.973 20 0 BDADRP C[C@H](C[NH+]1CCC(C)CC1)N[C@H](C)C1C[NH2+]C1 ZINC000665272443 412213340 /nfs/dbraw/zinc/21/33/40/412213340.db2.gz FOKNHGMUDPUNGJ-CHWSQXEVSA-N 2 0 239.407 1.304 20 0 BDADRP CC[C@H]([NH2+]C)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000662418897 412159586 /nfs/dbraw/zinc/15/95/86/412159586.db2.gz XYNUFISJZFYCNV-RYUDHWBXSA-N 2 0 241.379 1.008 20 0 BDADRP COC[C@@H](CC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)OC ZINC000665235019 412164477 /nfs/dbraw/zinc/16/44/77/412164477.db2.gz OEOACJZHYGZLNX-YNEHKIRRSA-N 2 0 244.379 1.158 20 0 BDADRP OC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CCC1 ZINC000665234661 412174015 /nfs/dbraw/zinc/17/40/15/412174015.db2.gz IJGAXOVFKXMPDL-FQUUOJAGSA-N 2 0 238.375 1.125 20 0 BDADRP COC[C@@H](CC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)OC ZINC000665235015 412174080 /nfs/dbraw/zinc/17/40/80/412174080.db2.gz OEOACJZHYGZLNX-JHJVBQTASA-N 2 0 244.379 1.158 20 0 BDADRP OC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCC1 ZINC000665235155 412174099 /nfs/dbraw/zinc/17/40/99/412174099.db2.gz QNLYFXMNCSELCU-HNGCFSAESA-N 2 0 224.348 1.020 20 0 BDADRP CO[C@H](C[NH2+][C@H](C)CCCC[NH3+])[C@@H]1CCOC1 ZINC000665234426 412174784 /nfs/dbraw/zinc/17/47/84/412174784.db2.gz CPZLUMLRNMLUOI-JHJVBQTASA-N 2 0 244.379 1.145 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000665274381 412217321 /nfs/dbraw/zinc/21/73/21/412217321.db2.gz PAEQJILZUDEYCT-FRRDWIJNSA-N 2 0 225.380 1.058 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@]1(C)CC1(C)C ZINC000665275255 412218996 /nfs/dbraw/zinc/21/89/96/412218996.db2.gz GGIRPLVGMCCGAS-JQWIXIFHSA-N 2 0 214.353 1.519 20 0 BDADRP COC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)C1CCCC1 ZINC000665278609 412220197 /nfs/dbraw/zinc/22/01/97/412220197.db2.gz JYLVSHOCPPDQNC-QRMWWUJWSA-N 2 0 238.375 1.533 20 0 BDADRP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)[C@@H]1CCCOC1 ZINC000665279047 412223015 /nfs/dbraw/zinc/22/30/15/412223015.db2.gz VSOLYPMAGROIAD-GMKTYKIGSA-N 2 0 224.348 1.143 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1cnn(C)c1 ZINC000665280518 412225032 /nfs/dbraw/zinc/22/50/32/412225032.db2.gz FCOBDDJLLHFPMR-CMPLNLGQSA-N 2 0 224.352 1.444 20 0 BDADRP CCn1cc([C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)cn1 ZINC000665281047 412226823 /nfs/dbraw/zinc/22/68/23/412226823.db2.gz SJNZQLZYYYGXGS-WCQYABFASA-N 2 0 238.379 1.927 20 0 BDADRP CC[C@@H](NCC[C@@H]([NH3+])C(C)C)[C@@H]1CCC[NH2+]1 ZINC000665282018 412226928 /nfs/dbraw/zinc/22/69/28/412226928.db2.gz OXOGJMHYDFHWBT-UPJWGTAASA-N 2 0 227.396 1.480 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1C[C@@H](C)O[C@@H]1C ZINC000665282407 412227963 /nfs/dbraw/zinc/22/79/63/412227963.db2.gz XPEONEGTZDPBAC-KKOKHZNYSA-N 2 0 214.353 1.515 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCCc1ccco1 ZINC000665283850 412228612 /nfs/dbraw/zinc/22/86/12/412228612.db2.gz WEFPFRBSQAHSGC-AAEUAGOBSA-N 2 0 222.332 1.929 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCCc1ccco1 ZINC000665283853 412229328 /nfs/dbraw/zinc/22/93/28/412229328.db2.gz WEFPFRBSQAHSGC-YPMHNXCESA-N 2 0 222.332 1.929 20 0 BDADRP CN(CC(C)(C)[NH3+])C(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000662605730 412237126 /nfs/dbraw/zinc/23/71/26/412237126.db2.gz ROHJYTZQTXHGPX-GWCFXTLKSA-N 2 0 241.379 1.090 20 0 BDADRP CN(CC(C)(C)[NH3+])C(=O)[C@](C)([NH3+])c1ccccc1 ZINC000662845583 412319886 /nfs/dbraw/zinc/31/98/86/412319886.db2.gz VCYZKUCQLGYVDE-CQSZACIVSA-N 2 0 249.358 1.056 20 0 BDADRP C[NH2+]C[C@@H](C)NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000662952341 412352473 /nfs/dbraw/zinc/35/24/73/412352473.db2.gz CVUHMIZTEGGGER-YPMHNXCESA-N 2 0 249.358 1.191 20 0 BDADRP Cc1nc[nH]c1CNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662753701 412291020 /nfs/dbraw/zinc/29/10/20/412291020.db2.gz VNQGHFGPIHAGAG-UHFFFAOYSA-N 2 0 248.330 1.009 20 0 BDADRP CC1(C)CC[NH2+][C@H]1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000662767540 412295837 /nfs/dbraw/zinc/29/58/37/412295837.db2.gz VURLPRBPKGBCNO-LBPRGKRZSA-N 2 0 247.342 1.472 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCNc1cnccn1 ZINC000519595483 412303749 /nfs/dbraw/zinc/30/37/49/412303749.db2.gz FXNKZRNVXLXGFQ-NWDGAFQWSA-N 2 0 249.362 1.138 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCOC2)[C@H](C)C1 ZINC000133048360 412393069 /nfs/dbraw/zinc/39/30/69/412393069.db2.gz ZXVVOTLLGNNSHJ-IJLUTSLNSA-N 2 0 212.337 1.095 20 0 BDADRP CCn1cc(CN2CC[C@H]([NH3+])[C@@H](C)C2)cn1 ZINC000227073403 172164355 /nfs/dbraw/zinc/16/43/55/172164355.db2.gz QYKHWGGVZQNPKY-JQWIXIFHSA-N 2 0 222.336 1.072 20 0 BDADRP CCn1cc(CN2CC[C@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000229084944 172164222 /nfs/dbraw/zinc/16/42/22/172164222.db2.gz DWCASYPNOGTYRM-AAEUAGOBSA-N 2 0 236.363 1.320 20 0 BDADRP C[NH+](C)C1(CN[C@@H]2CCC[C@@H]2C[NH3+])CCCC1 ZINC000131983772 172403066 /nfs/dbraw/zinc/40/30/66/172403066.db2.gz HHIPFBORZUXROC-CHWSQXEVSA-N 2 0 239.407 1.578 20 0 BDADRP C[NH+](C)CC1CCC([NH2+]CC2(C)COC2)CC1 ZINC000352756422 172425455 /nfs/dbraw/zinc/42/54/55/172425455.db2.gz QJNCKEGNCOQIKU-UHFFFAOYSA-N 2 0 240.391 1.733 20 0 BDADRP CN(CCC[NH+]1CCCC1)CC(C)(C)[NH3+] ZINC000309468314 172705721 /nfs/dbraw/zinc/70/57/21/172705721.db2.gz QLZMTYLZVWLMMI-UHFFFAOYSA-N 2 0 213.369 1.141 20 0 BDADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCCOC2)CC1 ZINC000122140050 172983677 /nfs/dbraw/zinc/98/36/77/172983677.db2.gz ZDTDPVDGUHNIAO-CYBMUJFWSA-N 2 0 226.364 1.487 20 0 BDADRP Cn1nccc1C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000336622783 173003121 /nfs/dbraw/zinc/00/31/21/173003121.db2.gz PTGDYFFSQKZCRW-UHFFFAOYSA-N 2 0 248.374 1.480 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](CO)CC1 ZINC000339750624 173028490 /nfs/dbraw/zinc/02/84/90/173028490.db2.gz OIRKECHBJWMBGP-UONOGXRCSA-N 2 0 240.391 1.565 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1CO ZINC000119137993 173029536 /nfs/dbraw/zinc/02/95/36/173029536.db2.gz JIMIIOMNKFYVJP-CHWSQXEVSA-N 2 0 226.364 1.318 20 0 BDADRP C[N@H+](C[C@@H]1CCCO1)C[C@H]1CCC[NH+](C)C1 ZINC000336699994 173040565 /nfs/dbraw/zinc/04/05/65/173040565.db2.gz JZWDFBGAOIMWCU-STQMWFEESA-N 2 0 226.364 1.439 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+](CCO)CC1CC1 ZINC000336702087 173051191 /nfs/dbraw/zinc/05/11/91/173051191.db2.gz MZJKKHFUTTVGAQ-ZDUSSCGKSA-N 2 0 226.364 1.175 20 0 BDADRP C[NH+]1CCN(CCC[NH2+]C2CCCC2)CC1 ZINC000020128323 173080753 /nfs/dbraw/zinc/08/07/53/173080753.db2.gz SWTIXKJUVNBFKR-UHFFFAOYSA-N 2 0 225.380 1.156 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCOC2)[C@H]2CCC[C@H]21 ZINC000367884930 173154674 /nfs/dbraw/zinc/15/46/74/173154674.db2.gz IXZCQJASWFEMET-RFQIPJPRSA-N 2 0 238.375 1.628 20 0 BDADRP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccn2)C1 ZINC000334153031 173162846 /nfs/dbraw/zinc/16/28/46/173162846.db2.gz NHJUILMIEKSZHM-ZFWWWQNUSA-N 2 0 245.370 1.998 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+](CC[C@@H]3CCCO3)C2)C1 ZINC000336510789 173168376 /nfs/dbraw/zinc/16/83/76/173168376.db2.gz MMXNXYPOJLYYHC-KBPBESRZSA-N 2 0 238.375 1.583 20 0 BDADRP CNC(=O)C(C)(C)C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000331978390 173220547 /nfs/dbraw/zinc/22/05/47/173220547.db2.gz MDSYIZVRTQUHON-WDEREUQCSA-N 2 0 241.379 1.008 20 0 BDADRP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCCOC1 ZINC000054629100 173323837 /nfs/dbraw/zinc/32/38/37/173323837.db2.gz OTAFQXNMFTYENI-FUDCBSFHSA-N 2 0 238.375 1.628 20 0 BDADRP C[NH2+]CCC1CC[NH+](Cc2ccccn2)CC1 ZINC000070188746 173342701 /nfs/dbraw/zinc/34/27/01/173342701.db2.gz ZVXLABZQMLUKEN-UHFFFAOYSA-N 2 0 233.359 1.903 20 0 BDADRP C[NH2+]CCC[NH2+]C[C@H](C)c1ccccc1 ZINC000010435507 173349258 /nfs/dbraw/zinc/34/92/58/173349258.db2.gz NHDRMFQVTZVFDA-LBPRGKRZSA-N 2 0 206.333 1.989 20 0 BDADRP C[NH2+]C[C@@H]1CCCN1CCc1cccnc1 ZINC000133282573 173368881 /nfs/dbraw/zinc/36/88/81/173368881.db2.gz DCLIDXUGANAHMR-ZDUSSCGKSA-N 2 0 219.332 1.308 20 0 BDADRP C[NH2+]C[C@@H]1CCCN1CCc1ccc(OC)cc1 ZINC000019933367 173369307 /nfs/dbraw/zinc/36/93/07/173369307.db2.gz BUCCWSAVYHTNIS-AWEZNQCLSA-N 2 0 248.370 1.922 20 0 BDADRP C[NH2+]C[C@@H]1CCN(c2cc[nH+]c(C)c2)C1 ZINC000229574967 173371188 /nfs/dbraw/zinc/37/11/88/173371188.db2.gz IDKALMHRLPKLNU-NSHDSACASA-N 2 0 205.305 1.436 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](CCc2cccnc2)C1 ZINC000053031390 173371243 /nfs/dbraw/zinc/37/12/43/173371243.db2.gz XFYCRZGEJMAWSQ-ZDUSSCGKSA-N 2 0 219.332 1.165 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@H+](CC[C@H]2CCCO2)C1 ZINC000250702078 173379200 /nfs/dbraw/zinc/37/92/00/173379200.db2.gz DBHZOSFHPBCUEE-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP C[NH2+]C[C@H]1CCCN1CCc1ccc(OC)cc1 ZINC000019933369 173379925 /nfs/dbraw/zinc/37/99/25/173379925.db2.gz BUCCWSAVYHTNIS-CQSZACIVSA-N 2 0 248.370 1.922 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)[C@@H]([NH3+])C(C)C)cc1 ZINC000295206318 173388928 /nfs/dbraw/zinc/38/89/28/173388928.db2.gz KUUHOQZCJQVSLL-LBPRGKRZSA-N 2 0 235.331 1.328 20 0 BDADRP COC1CC[NH+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000234590957 174028313 /nfs/dbraw/zinc/02/83/13/174028313.db2.gz JDTLXNICTUXAOR-NWDGAFQWSA-N 2 0 226.364 1.485 20 0 BDADRP COCC1(C[NH2+]C2CCCC2)CC[NH2+]CC1 ZINC000234710831 174103203 /nfs/dbraw/zinc/10/32/03/174103203.db2.gz URARDYTXYZFMBV-UHFFFAOYSA-N 2 0 226.364 1.535 20 0 BDADRP COCCC(C)(C)C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000234690984 174143410 /nfs/dbraw/zinc/14/34/10/174143410.db2.gz OSGBJNPNEVCXNE-LBPRGKRZSA-N 2 0 228.380 1.781 20 0 BDADRP COCCC1(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000234892895 174156784 /nfs/dbraw/zinc/15/67/84/174156784.db2.gz FKKMHQICUYODFP-STQMWFEESA-N 2 0 240.391 1.910 20 0 BDADRP COCCCC[NH2+][C@](C)(CN)C1CC1 ZINC000336770712 174203645 /nfs/dbraw/zinc/20/36/45/174203645.db2.gz WVPBCYJTSKICNP-LLVKDONJSA-N 2 0 200.326 1.130 20 0 BDADRP COCCC[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000120411397 174216367 /nfs/dbraw/zinc/21/63/67/174216367.db2.gz LKKOHVOQPRFJOJ-GFCCVEGCSA-N 2 0 214.353 1.439 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@H]1CCC1(C)C ZINC000336776148 174274678 /nfs/dbraw/zinc/27/46/78/174274678.db2.gz DWUKPZDFFMLCOQ-LBPRGKRZSA-N 2 0 228.380 1.733 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCOC1(C)C ZINC000340176227 174274964 /nfs/dbraw/zinc/27/49/64/174274964.db2.gz KVNWNVCEZYWBHM-GFCCVEGCSA-N 2 0 244.379 1.112 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000336778279 174275170 /nfs/dbraw/zinc/27/51/70/174275170.db2.gz KXPJTFWTUYGRGX-YNEHKIRRSA-N 2 0 228.380 1.589 20 0 BDADRP COCC[N@H+](C)CCC[NH2+]C1CC(C)(C)C1 ZINC000309836996 174275660 /nfs/dbraw/zinc/27/56/60/174275660.db2.gz BKYHICNURTWJLO-UHFFFAOYSA-N 2 0 228.380 1.733 20 0 BDADRP COC[C@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000045655910 174532967 /nfs/dbraw/zinc/53/29/67/174532967.db2.gz CWRCDNMOCWCAQV-ODWCKFRGSA-N 2 0 226.364 1.484 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])C(C)C ZINC000362976518 174868743 /nfs/dbraw/zinc/86/87/43/174868743.db2.gz KTBUXGCTHGMEDO-QJPTWQEYSA-N 2 0 214.353 1.374 20 0 BDADRP COc1ccc(CC[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000128847769 175091422 /nfs/dbraw/zinc/09/14/22/175091422.db2.gz UTVBQSBRQWKRAQ-CQSZACIVSA-N 2 0 248.370 1.969 20 0 BDADRP COc1ccc(CC[NH2+]C2CC[NH2+]CC2)cc1 ZINC000038040527 175091520 /nfs/dbraw/zinc/09/15/20/175091520.db2.gz KZVPOXMWEVDSCS-UHFFFAOYSA-N 2 0 234.343 1.579 20 0 BDADRP COc1ccc(CC[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000107787460 175091767 /nfs/dbraw/zinc/09/17/67/175091767.db2.gz RYXUSNOHUPXYDD-AWEZNQCLSA-N 2 0 248.370 1.827 20 0 BDADRP COc1ccc(C[NH2+]CCCC[NH3+])cc1 ZINC000037714620 175106776 /nfs/dbraw/zinc/10/67/76/175106776.db2.gz BRTGYDCMBRQALO-UHFFFAOYSA-N 2 0 208.305 1.524 20 0 BDADRP COc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000131991867 175107535 /nfs/dbraw/zinc/10/75/35/175107535.db2.gz YFCIRBFEBOEXDY-CYBMUJFWSA-N 2 0 234.343 1.784 20 0 BDADRP COc1ccc(OC)c([C@H](C)[NH2+]CCC[NH3+])c1 ZINC000037713253 175169234 /nfs/dbraw/zinc/16/92/34/175169234.db2.gz SWERUFZINXRWFQ-JTQLQIEISA-N 2 0 238.331 1.703 20 0 BDADRP COc1cccc([C@@H](C)[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000090320505 175287065 /nfs/dbraw/zinc/28/70/65/175287065.db2.gz STAWXCCJSNNQBM-BNOWGMLFSA-N 2 0 246.354 1.907 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@H](CCO)C(C)(C)C ZINC000336645907 175664556 /nfs/dbraw/zinc/66/45/56/175664556.db2.gz DIBVTKJYHCHHRN-NWDGAFQWSA-N 2 0 230.396 1.891 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CCC1CC[NH+](C)CC1 ZINC000336674317 175665483 /nfs/dbraw/zinc/66/54/83/175665483.db2.gz UMQMVTLIOBWGKP-LBPRGKRZSA-N 3 0 227.396 1.435 20 0 BDADRP C[C@@H](C[NH3+])C(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000262357876 175704482 /nfs/dbraw/zinc/70/44/82/175704482.db2.gz JZMUCHUQCKQXCD-LBPRGKRZSA-N 2 0 249.358 1.176 20 0 BDADRP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]CCc1ccccn1 ZINC000093462307 175766917 /nfs/dbraw/zinc/76/69/17/175766917.db2.gz QKVNAHRSROSOSH-GXTWGEPZSA-N 2 0 233.359 1.744 20 0 BDADRP C[C@@H](c1ccccc1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000070069805 176021175 /nfs/dbraw/zinc/02/11/75/176021175.db2.gz YPCKPHUGOPICNA-AWEZNQCLSA-N 2 0 247.386 1.585 20 0 BDADRP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000310480781 176081047 /nfs/dbraw/zinc/08/10/47/176081047.db2.gz CXSNBSLTVGMLNS-BNOWGMLFSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)[C@@H]1CO ZINC000305705904 176097846 /nfs/dbraw/zinc/09/78/46/176097846.db2.gz YEKXBHLNCLOALY-MGPQQGTHSA-N 2 0 240.391 1.564 20 0 BDADRP C[C@@H]1CCOCC[N@@H+]1Cc1cccc2nccn21 ZINC000367710884 176189643 /nfs/dbraw/zinc/18/96/43/176189643.db2.gz WRUBPYPUFRXHKM-GFCCVEGCSA-N 2 0 245.326 1.945 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000336678281 176268276 /nfs/dbraw/zinc/26/82/76/176268276.db2.gz BPKKZIWCBDMJJN-NDBYEHHHSA-N 2 0 226.364 1.077 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CC1(C)C ZINC000336773084 176269279 /nfs/dbraw/zinc/26/92/79/176269279.db2.gz YQJYYXSRQUDIQT-WOPDTQHZSA-N 2 0 210.365 1.962 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCc1ccccn1 ZINC000358310762 176269989 /nfs/dbraw/zinc/26/99/89/176269989.db2.gz WXRHNZLLGZYCOD-HIFRSBDPSA-N 2 0 247.386 1.944 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCC1CC(O)C1 ZINC000309803725 176270924 /nfs/dbraw/zinc/27/09/24/176270924.db2.gz RQTITTXLHOGSLX-IKWCTNDRSA-N 2 0 226.364 1.077 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000356911287 176271088 /nfs/dbraw/zinc/27/10/88/176271088.db2.gz IRILDYYTWSEIKM-MGPQQGTHSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000045663920 176278661 /nfs/dbraw/zinc/27/86/61/176278661.db2.gz SWGJRMYSHFCPFX-MCIONIFRSA-N 3 0 241.423 1.647 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](CO)C1CC1 ZINC000353484282 176278905 /nfs/dbraw/zinc/27/89/05/176278905.db2.gz JGKVKPHUXWZPFG-RFHZTLPTSA-N 2 0 240.391 1.323 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)CCS1 ZINC000161644169 176292590 /nfs/dbraw/zinc/29/25/90/176292590.db2.gz FFAHLMFXPGDBOF-NEPJUHHUSA-N 2 0 228.405 1.908 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000305855738 176341315 /nfs/dbraw/zinc/34/13/15/176341315.db2.gz BMZSLFVOERXFKK-MQYQWHSLSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@@H]1CSC[C@@H]1[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000336773825 176353305 /nfs/dbraw/zinc/35/33/05/176353305.db2.gz ZFRSRHNHIQRAAK-WOPDTQHZSA-N 2 0 228.405 1.812 20 0 BDADRP C[C@@H]1C[C@@H](C[N@H+](C)C[C@@H]2CCCO2)CC[NH2+]1 ZINC000235379347 176367480 /nfs/dbraw/zinc/36/74/80/176367480.db2.gz YTTYXAJJWPTPPX-AGIUHOORSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1C[C@@H](C[NH+]2CCC([NH+](C)C)CC2)CC[NH2+]1 ZINC000235380741 176369250 /nfs/dbraw/zinc/36/92/50/176369250.db2.gz NKQKUGNGRXWKKA-OLZOCXBDSA-N 3 0 239.407 1.401 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCc2cn[nH]c2)CC[N@@H+]1C ZINC000289740572 176376498 /nfs/dbraw/zinc/37/64/98/176376498.db2.gz KOXMEOLSQLDEGO-PWSUYJOCSA-N 2 0 222.336 1.025 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccn(C)c2)CC[N@@H+]1C ZINC000156609784 176378382 /nfs/dbraw/zinc/37/83/82/176378382.db2.gz GFNDAEOGPGMGDF-YPMHNXCESA-N 2 0 221.348 1.597 20 0 BDADRP C[C@H](CO)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000336737175 176694152 /nfs/dbraw/zinc/69/41/52/176694152.db2.gz JFCUVJCDLZKWNK-WUHRBBMRSA-N 2 0 226.364 1.077 20 0 BDADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000310484193 176835338 /nfs/dbraw/zinc/83/53/38/176835338.db2.gz FNNDGLRCYPXTPK-QWHCGFSZSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H](O)C[C@H]1CCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000336682270 177002497 /nfs/dbraw/zinc/00/24/97/177002497.db2.gz DCSVBYNZANCCEL-BFHYXJOUSA-N 2 0 240.391 1.706 20 0 BDADRP C[C@H](O)[C@@H]1CC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000305823743 177008977 /nfs/dbraw/zinc/00/89/77/177008977.db2.gz RRZVZBUWHLZVDN-YNEHKIRRSA-N 2 0 226.364 1.173 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCOCC1CC1 ZINC000359614572 177233574 /nfs/dbraw/zinc/23/35/74/177233574.db2.gz BHQYLRYRRSOQRP-GXTWGEPZSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCC1CC(O)C1 ZINC000309803733 177234285 /nfs/dbraw/zinc/23/42/85/177234285.db2.gz RQTITTXLHOGSLX-YWPUVAFDSA-N 2 0 226.364 1.077 20 0 BDADRP C[C@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CC(C)(C)O1 ZINC000251672308 177253900 /nfs/dbraw/zinc/25/39/00/177253900.db2.gz LRWULZNGZSAONH-NWDGAFQWSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H]1C[N@@H+]2CCC[C@H]2CN1CC[NH2+]C(C)(C)C ZINC000251600840 177280013 /nfs/dbraw/zinc/28/00/13/177280013.db2.gz DCJDWBJJPLJOTI-STQMWFEESA-N 2 0 239.407 1.543 20 0 BDADRP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000223223508 177301651 /nfs/dbraw/zinc/30/16/51/177301651.db2.gz ONCCOLGQBLIQFL-WDEREUQCSA-N 2 0 212.337 1.095 20 0 BDADRP C[C@H]1CSC[C@H]1[NH2+]CCCC[NH+](C)C ZINC000336687406 177306552 /nfs/dbraw/zinc/30/65/52/177306552.db2.gz MTOHBQZGKCIVLV-WDEREUQCSA-N 2 0 216.394 1.669 20 0 BDADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(N)=[NH2+])C1 ZINC000303252844 177312055 /nfs/dbraw/zinc/31/20/55/177312055.db2.gz CCHHICYQEBFFCK-AOOOYVTPSA-N 2 0 226.368 1.226 20 0 BDADRP C[C@H](CO)C[N@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000678043913 487637850 /nfs/dbraw/zinc/63/78/50/487637850.db2.gz JDEMJAHIDCQLAO-TUAOUCFPSA-N 2 0 214.353 1.029 20 0 BDADRP C[C@H]1C[C@@H](C[N@@H+]2CCCOCC2)CC[NH2+]1 ZINC000235698967 177324719 /nfs/dbraw/zinc/32/47/19/177324719.db2.gz LABWZZZYTRIHGJ-RYUDHWBXSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C2CCC([NH3+])CC2)CN1C1CC1 ZINC000122945916 177331172 /nfs/dbraw/zinc/33/11/72/177331172.db2.gz SBCCVRYZGINZJH-YWPUVAFDSA-N 2 0 237.391 1.471 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCC(C)(C)O ZINC000336680917 177331423 /nfs/dbraw/zinc/33/14/23/177331423.db2.gz XVHATPDBINZPTJ-GRYCIOLGSA-N 2 0 228.380 1.466 20 0 BDADRP C[C@H]1C[C@H](C[N@H+](C)Cc2nccn2C)CC[NH2+]1 ZINC000235660341 177361033 /nfs/dbraw/zinc/36/10/33/177361033.db2.gz RRYWZNJHCXTATK-NWDGAFQWSA-N 2 0 236.363 1.240 20 0 BDADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccnc1 ZINC000122328973 177361132 /nfs/dbraw/zinc/36/11/32/177361132.db2.gz SDQQBWIEYVEAPQ-CMPLNLGQSA-N 2 0 205.305 1.251 20 0 BDADRP C[C@H]1C[C@H](N(C)Cc2ccncc2)CC[N@@H+]1C ZINC000177059537 177364620 /nfs/dbraw/zinc/36/46/20/177364620.db2.gz BDUPTCVCHYHBDH-GXTWGEPZSA-N 2 0 233.359 1.996 20 0 BDADRP C[C@H](CC[NH+](C)C)N[C@H]1C[C@H](C)n2ccnc21 ZINC000345361951 177371178 /nfs/dbraw/zinc/37/11/78/177371178.db2.gz UWIGJPGBLDALAP-WOPDTQHZSA-N 2 0 236.363 1.819 20 0 BDADRP C[C@H]1C[C@H]1C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000336777889 177381996 /nfs/dbraw/zinc/38/19/96/177381996.db2.gz JTJDEQUTWQVTCC-RYUDHWBXSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN2C)CS1 ZINC000226014026 487643884 /nfs/dbraw/zinc/64/38/84/487643884.db2.gz HKANFNBLDFAWTL-MXWKQRLJSA-N 2 0 214.378 1.564 20 0 BDADRP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H]1CC[C@H](O)CC1 ZINC000493601511 226245454 /nfs/dbraw/zinc/24/54/54/226245454.db2.gz IHTDUQYDWLHYMO-IMIFBBOLSA-N 2 0 238.375 1.362 20 0 BDADRP C[NH+](C)CC1(NC(=O)/C=C/c2ncc[nH]2)CCC1 ZINC000493682960 226249146 /nfs/dbraw/zinc/24/91/46/226249146.db2.gz BQWNOHKPCKWZPV-SNAWJCMRSA-N 2 0 248.330 1.023 20 0 BDADRP C[C@H](C[NH+]1CCCCC1)N[C@H](C)[C@H]1CCC[NH2+]1 ZINC000400736117 226350786 /nfs/dbraw/zinc/35/07/86/226350786.db2.gz RSVWBQZQMZQGIB-MGPQQGTHSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401005576 226352572 /nfs/dbraw/zinc/35/25/72/226352572.db2.gz DFXRUEDIUMDRAI-AAVRWANBSA-N 2 0 248.374 1.249 20 0 BDADRP C([C@H]1CCOC1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225877951 487650282 /nfs/dbraw/zinc/65/02/82/487650282.db2.gz NZGKLXVHEHVFJR-MCIONIFRSA-N 2 0 238.375 1.487 20 0 BDADRP Cn1cncc1CCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000314961866 487669237 /nfs/dbraw/zinc/66/92/37/487669237.db2.gz VMINSILHOCEJIC-GXTWGEPZSA-N 2 0 248.374 1.037 20 0 BDADRP CC[C@H](C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)OC ZINC000395000930 262759231 /nfs/dbraw/zinc/75/92/31/262759231.db2.gz JKJVSJYIESRHFE-DGAVXFQQSA-N 2 0 242.407 1.977 20 0 BDADRP C[C@@H]([NH2+]C[C@@H](C)CCCO)C1CC[NH+](C)CC1 ZINC000384394276 487713424 /nfs/dbraw/zinc/71/34/24/487713424.db2.gz SCNHRSYMXOWVAQ-QWHCGFSZSA-N 2 0 242.407 1.715 20 0 BDADRP C[C@@H](C[NH3+])CNC[C@H]([NH3+])CCC(C)(C)C ZINC000904353015 584869967 /nfs/dbraw/zinc/86/99/67/584869967.db2.gz GDUKWXFMQKVMBI-WDEREUQCSA-N 3 0 215.385 1.324 20 0 BDADRP C/C=C\C[C@H](CO)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000681142285 487737186 /nfs/dbraw/zinc/73/71/86/487737186.db2.gz SIRVDYUOMQJXJI-YKEDUJKTSA-N 2 0 240.391 1.633 20 0 BDADRP CCOC1CC[NH+](C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000233783285 487743465 /nfs/dbraw/zinc/74/34/65/487743465.db2.gz LUGGUGMBKRTBFT-STQMWFEESA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H](c1ccncc1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000222999295 487749205 /nfs/dbraw/zinc/74/92/05/487749205.db2.gz VHAOIEBUEBQWHF-MNOVXSKESA-N 2 0 205.305 1.423 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)CCC1CC1 ZINC000390557452 487756541 /nfs/dbraw/zinc/75/65/41/487756541.db2.gz IXTIQRWEWHPUAU-CYBMUJFWSA-N 2 0 228.380 1.419 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000251517073 487760892 /nfs/dbraw/zinc/76/08/92/487760892.db2.gz JAKQKYTUGYYCBE-MRVWCRGKSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H](O)C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000141877809 487765117 /nfs/dbraw/zinc/76/51/17/487765117.db2.gz OZNXKLKFHKOIKP-SECBINFHSA-N 2 0 214.353 1.266 20 0 BDADRP CC[NH+](CC)CCCNC(=O)C[NH+](CC)CC ZINC000357411815 487766294 /nfs/dbraw/zinc/76/62/94/487766294.db2.gz JABIZCGJGMELKW-UHFFFAOYSA-N 2 0 243.395 1.176 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]CCCC[NH+]1CCOCC1 ZINC000675750299 487773096 /nfs/dbraw/zinc/77/30/96/487773096.db2.gz BXALISNGYDEPLS-QWHCGFSZSA-N 2 0 244.379 1.112 20 0 BDADRP C[NH2+]C[C@@H](C)NC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000662968021 487775987 /nfs/dbraw/zinc/77/59/87/487775987.db2.gz QBOVGDDXUPOJKI-PWSUYJOCSA-N 2 0 241.379 1.008 20 0 BDADRP CC[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000309242868 487806015 /nfs/dbraw/zinc/80/60/15/487806015.db2.gz LDYHAHBALMJDTE-CHWSQXEVSA-N 2 0 228.380 1.419 20 0 BDADRP CC[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000309242870 487805867 /nfs/dbraw/zinc/80/58/67/487805867.db2.gz LDYHAHBALMJDTE-OLZOCXBDSA-N 2 0 228.380 1.419 20 0 BDADRP CC[C@@H]1C[N@@H+]([C@@H](C)COC)CC[C@@H]1[NH3+] ZINC000211212551 487806450 /nfs/dbraw/zinc/80/64/50/487806450.db2.gz KHFKDFUCOOHEBR-AXFHLTTASA-N 2 0 200.326 1.081 20 0 BDADRP CCC[C@H](C)[N@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000309256100 487808610 /nfs/dbraw/zinc/80/86/10/487808610.db2.gz OGMNRBBAFKUGAK-QWHCGFSZSA-N 2 0 230.396 1.808 20 0 BDADRP C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000307587422 487819255 /nfs/dbraw/zinc/81/92/55/487819255.db2.gz TXQUJQUDJHWLLK-ZDCRXTMVSA-N 2 0 214.378 1.740 20 0 BDADRP CC[C@H]1CN(c2ccccc2)CC[N@@H+]1CCC[NH3+] ZINC000414730741 487820214 /nfs/dbraw/zinc/82/02/14/487820214.db2.gz ARCGOHDXFDFHTQ-AWEZNQCLSA-N 2 0 247.386 1.936 20 0 BDADRP CC(C)(C)[C@@H]1CC[N@H+](CCC[NH3+])C[C@H]1O ZINC000414755679 487821084 /nfs/dbraw/zinc/82/10/84/487821084.db2.gz ICYJUMAPIBTHMK-GHMZBOCLSA-N 2 0 214.353 1.064 20 0 BDADRP [NH3+]CCC[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000414754087 487821255 /nfs/dbraw/zinc/82/12/55/487821255.db2.gz FQULRPDDKMETCV-LBPRGKRZSA-N 2 0 212.337 1.226 20 0 BDADRP C[C@@H]1C[C@@H](c2cccnc2)[N@H+](CCC[NH3+])C1 ZINC000414748525 487821574 /nfs/dbraw/zinc/82/15/74/487821574.db2.gz WRDYGDWUMHDZGH-YPMHNXCESA-N 2 0 219.332 1.813 20 0 BDADRP C[C@@H]1[C@H](C)SCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000252682477 487828807 /nfs/dbraw/zinc/82/88/07/487828807.db2.gz CCSVXVCDJIGQOH-VWYCJHECSA-N 2 0 214.378 1.422 20 0 BDADRP CC1(C)C[N@H+](Cc2cnc3n2CCC3)C[C@H]1O ZINC000668088754 487831728 /nfs/dbraw/zinc/83/17/28/487831728.db2.gz GJOGDXIGSLMTQV-LLVKDONJSA-N 2 0 235.331 1.032 20 0 BDADRP [NH3+]CCC[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000415134399 487838280 /nfs/dbraw/zinc/83/82/80/487838280.db2.gz DSIJWYGLAZSVJN-GFCCVEGCSA-N 2 0 237.322 1.343 20 0 BDADRP CCOCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000309429036 487844742 /nfs/dbraw/zinc/84/47/42/487844742.db2.gz FUFOIDBUOJGZKR-UPJWGTAASA-N 2 0 226.364 1.485 20 0 BDADRP COCCCCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000234623876 487844758 /nfs/dbraw/zinc/84/47/58/487844758.db2.gz JFWGBVVRZHNWDU-NWDGAFQWSA-N 2 0 214.353 1.663 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+](CCCO)C2CC2)CC[NH2+]1 ZINC000666640276 487848280 /nfs/dbraw/zinc/84/82/80/487848280.db2.gz RDZBRWVLQXNRSC-VXGBXAGGSA-N 2 0 226.364 1.221 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CCC[C@@H](CCO)C1 ZINC000666638413 487849525 /nfs/dbraw/zinc/84/95/25/487849525.db2.gz LXZPYHRXDVZWRN-STQMWFEESA-N 2 0 228.380 1.454 20 0 BDADRP CC(C)C[C@H]([NH3+])CN(CCO)CC(C)(C)C ZINC000666639266 487849789 /nfs/dbraw/zinc/84/97/89/487849789.db2.gz WIOXMNLGSVIXMK-LBPRGKRZSA-N 2 0 230.396 1.700 20 0 BDADRP CC[C@@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000379855762 487850218 /nfs/dbraw/zinc/85/02/18/487850218.db2.gz BZDFGLUQKGDQFI-NEPJUHHUSA-N 2 0 216.369 1.418 20 0 BDADRP C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CCC[NH3+] ZINC000666654515 487852264 /nfs/dbraw/zinc/85/22/64/487852264.db2.gz LVDCRDHVOGZZBC-IUCAKERBSA-N 2 0 224.270 1.998 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@@H](O)CC(F)(F)F ZINC000923423191 644420276 /nfs/dbraw/zinc/42/02/76/644420276.db2.gz VTXAQCNHGRFQSK-RNJXMRFFSA-N 2 0 240.269 1.015 20 0 BDADRP CC[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)[C@H](C)CO1 ZINC000403809734 487891534 /nfs/dbraw/zinc/89/15/34/487891534.db2.gz KJHULAXKYXSEMQ-HZSPNIEDSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)C1CCC1 ZINC000666955458 487892790 /nfs/dbraw/zinc/89/27/90/487892790.db2.gz LXCCLHFODZLDBN-JQWIXIFHSA-N 2 0 208.349 1.907 20 0 BDADRP COc1ccccc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666950928 487912977 /nfs/dbraw/zinc/91/29/77/487912977.db2.gz QVNBEUDCKLFAIL-AWEZNQCLSA-N 2 0 246.354 1.927 20 0 BDADRP CCCC[C@H](COC)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666953570 487915014 /nfs/dbraw/zinc/91/50/14/487915014.db2.gz BHNDKZIOOHDADC-OLZOCXBDSA-N 2 0 240.391 1.923 20 0 BDADRP CC[C@@H](COC)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666954605 487915969 /nfs/dbraw/zinc/91/59/69/487915969.db2.gz YSEBIFZUDGRVHV-WDEREUQCSA-N 2 0 212.337 1.143 20 0 BDADRP CC[C@H](COC)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995317 487925403 /nfs/dbraw/zinc/92/54/03/487925403.db2.gz KBFDSPZHHDZQSL-NEPJUHHUSA-N 2 0 226.364 1.676 20 0 BDADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)CCN1CCCCC1 ZINC000652363555 487932623 /nfs/dbraw/zinc/93/26/23/487932623.db2.gz HRTWHSLEFLLWTE-AWEZNQCLSA-N 2 0 239.407 1.404 20 0 BDADRP C[C@@H]1CN(CC[NH3+])CCc2ccc(F)cc21 ZINC000652363471 487933148 /nfs/dbraw/zinc/93/31/48/487933148.db2.gz FMLYGTYVEQKDRJ-SNVBAGLBSA-N 2 0 222.307 1.746 20 0 BDADRP C[C@H]1CC[N@H+](CC2(F)CC2)C[C@H]1C[NH3+] ZINC000667040110 487933296 /nfs/dbraw/zinc/93/32/96/487933296.db2.gz OBOGBXBPVBRPLN-VHSXEESVSA-N 2 0 200.301 1.405 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CS1 ZINC000306873753 323032465 /nfs/dbraw/zinc/03/24/65/323032465.db2.gz YHVBKUSZKZTBLS-YTWAJWBKSA-N 2 0 214.378 1.740 20 0 BDADRP C(C[C@H]1CCC[NH2+]1)[NH2+][C@H]1CCC12CCOCC2 ZINC000562962311 323036316 /nfs/dbraw/zinc/03/63/16/323036316.db2.gz ROIIROPNQOBOGL-OLZOCXBDSA-N 2 0 238.375 1.677 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CC2(CF)CCOCC2)C1 ZINC000569708978 323038040 /nfs/dbraw/zinc/03/80/40/323038040.db2.gz WZJKCDCLEVFDKS-NWDGAFQWSA-N 2 0 244.354 1.612 20 0 BDADRP Cc1cccc(CC[NH2+]CC(C)(C)[NH3+])n1 ZINC000570093715 323049626 /nfs/dbraw/zinc/04/96/26/323049626.db2.gz PQLMMGMEMGOZJQ-UHFFFAOYSA-N 2 0 207.321 1.259 20 0 BDADRP C[NH2+]CCSCC[C@@H]1CCC[N@@H+]1C ZINC000570276957 323054700 /nfs/dbraw/zinc/05/47/00/323054700.db2.gz QWEFLFZAPHFWIW-JTQLQIEISA-N 2 0 202.367 1.423 20 0 BDADRP Cc1cc(C[C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)[nH]n1 ZINC000570739980 323069152 /nfs/dbraw/zinc/06/91/52/323069152.db2.gz XIIGTSLJJOXZOQ-MVWJERBFSA-N 2 0 236.363 1.509 20 0 BDADRP [NH3+]Cc1ccc(CN[C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000570802241 323070774 /nfs/dbraw/zinc/07/07/74/323070774.db2.gz BKVQMOAXQBZUOM-CABCVRRESA-N 2 0 247.386 1.895 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC[C@@H]1CCOC1 ZINC000563135048 323094672 /nfs/dbraw/zinc/09/46/72/323094672.db2.gz DECLVUKOMZXHLD-HBNTYKKESA-N 2 0 200.326 1.128 20 0 BDADRP Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])ccn1 ZINC000391165269 323099467 /nfs/dbraw/zinc/09/94/67/323099467.db2.gz OTNLDHNSMAMALE-UONOGXRCSA-N 2 0 233.359 1.997 20 0 BDADRP C[NH+](C)C1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000397903896 323100798 /nfs/dbraw/zinc/10/07/98/323100798.db2.gz WEKMFCLXONTNLH-STQMWFEESA-N 2 0 237.391 1.297 20 0 BDADRP C[NH+](C)C1CC([NH2+][C@H]2CCOC3(CCC3)C2)C1 ZINC000563418572 323123789 /nfs/dbraw/zinc/12/37/89/323123789.db2.gz PQQVSBRNXPVHBT-HIFPTAJRSA-N 2 0 238.375 1.770 20 0 BDADRP FC1(C[NH2+]CC[C@H]2CCC[NH2+]C2)CC1 ZINC000563421333 323124108 /nfs/dbraw/zinc/12/41/08/323124108.db2.gz ZZZWXFMLHKTKRW-SNVBAGLBSA-N 2 0 200.301 1.468 20 0 BDADRP C(C[NH2+][C@@H]1CCOC2(CCC2)C1)CN1CCC1 ZINC000563639029 323133362 /nfs/dbraw/zinc/13/33/62/323133362.db2.gz WTRLOHPVMHFIBF-CYBMUJFWSA-N 2 0 238.375 1.774 20 0 BDADRP Cc1cccc(C[NH2+]CCCN2CC[NH2+]CC2)c1 ZINC000258837411 323146570 /nfs/dbraw/zinc/14/65/70/323146570.db2.gz BXXXZEHIANQMDW-UHFFFAOYSA-N 2 0 247.386 1.380 20 0 BDADRP Cc1nccn1CC[N@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000535034729 323164215 /nfs/dbraw/zinc/16/42/15/323164215.db2.gz IYMILHFVEQFJQK-WCQYABFASA-N 2 0 237.347 1.284 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCOCC1CCC1 ZINC000563804493 323178357 /nfs/dbraw/zinc/17/83/57/323178357.db2.gz POOKHLCXPHPGGE-NWDGAFQWSA-N 2 0 212.337 1.273 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)C1 ZINC000395158490 323189406 /nfs/dbraw/zinc/18/94/06/323189406.db2.gz MRQMNAQRAACVMK-WUHRBBMRSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CCCOC1)[C@@H]1CCCC[NH2+]1 ZINC000530211539 323211660 /nfs/dbraw/zinc/21/16/60/323211660.db2.gz METULNBIFRYAIH-RDBSUJKOSA-N 2 0 240.391 1.923 20 0 BDADRP O[C@@H](C[NH2+]C(C1CC1)C1CC1)C[NH+]1CCCC1 ZINC000042238396 323247008 /nfs/dbraw/zinc/24/70/08/323247008.db2.gz MTGRYLJRFZCJRH-ZDUSSCGKSA-N 2 0 238.375 1.221 20 0 BDADRP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@H](C)CCc1ccco1 ZINC000309125173 323318174 /nfs/dbraw/zinc/31/81/74/323318174.db2.gz WALLEHHLKNDVTB-GMTAPVOTSA-N 2 0 210.321 1.926 20 0 BDADRP CCC1CC[NH+](C[C@@H](O)C[N@H+](C)CC)CC1 ZINC000309214834 323329033 /nfs/dbraw/zinc/32/90/33/323329033.db2.gz FHUQSSPYJBOIPW-ZDUSSCGKSA-N 2 0 228.380 1.421 20 0 BDADRP CN(C[C@@H](O)C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC000563953327 323333727 /nfs/dbraw/zinc/33/37/27/323333727.db2.gz HZWMOYMZHYJXDT-ZDUSSCGKSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N[C@H]1CCC[NH2+][C@H]1C ZINC000396623824 323393775 /nfs/dbraw/zinc/39/37/75/323393775.db2.gz VTPQKXJLKTUOBF-VOAKCMCISA-N 2 0 225.380 1.057 20 0 BDADRP [NH3+]C1(c2noc([C@H]3CC34CC[NH2+]CC4)n2)CCC1 ZINC000564085558 323427410 /nfs/dbraw/zinc/42/74/10/323427410.db2.gz XSJZUCUZZHISSX-SECBINFHSA-N 2 0 248.330 1.265 20 0 BDADRP C[NH+](C)CCN(CC[NH+](C)C)CC1(C)CC1 ZINC000572286522 323588287 /nfs/dbraw/zinc/58/82/87/323588287.db2.gz NFVWDAFFLRKHCP-UHFFFAOYSA-N 2 0 227.396 1.212 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCCO)[C@H](C)C1 ZINC000122885430 324057716 /nfs/dbraw/zinc/05/77/16/324057716.db2.gz HCNHUGKKHGTDTL-AGIUHOORSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CSC[C@H]1C ZINC000398012113 324215902 /nfs/dbraw/zinc/21/59/02/324215902.db2.gz ZBEBQTXSNVTIPP-OPRDCNLKSA-N 2 0 202.367 1.455 20 0 BDADRP c1cc2ccc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)cc2[nH]1 ZINC000529536848 324330219 /nfs/dbraw/zinc/33/02/19/324330219.db2.gz NTMRNNNVMSZYMW-ZIAGYGMSSA-N 2 0 241.338 1.819 20 0 BDADRP CC[C@@H](N[C@H]1CC[NH2+]C12CCC2)[C@@H]1CCC[NH2+]1 ZINC000530215706 324531254 /nfs/dbraw/zinc/53/12/54/324531254.db2.gz IDFYMGYJFKRFSO-AGIUHOORSA-N 2 0 237.391 1.391 20 0 BDADRP CC(C)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530237586 324553016 /nfs/dbraw/zinc/55/30/16/324553016.db2.gz FQIIHNCBSVMQRV-ZDUSSCGKSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000530242275 324553438 /nfs/dbraw/zinc/55/34/38/324553438.db2.gz BCAQBNRDSUXRLQ-JHJVBQTASA-N 2 0 237.391 1.391 20 0 BDADRP C[C@H](C[NH2+]C[C@]1(C)CC[NH2+]C1)c1ccncc1 ZINC000530244956 324555326 /nfs/dbraw/zinc/55/53/26/324555326.db2.gz RIBCLUOAOBDKBV-TZMCWYRMSA-N 2 0 233.359 1.774 20 0 BDADRP c1cc2c(cc1N[C@H]1CCC[NH2+]C1)OCC[NH2+]C2 ZINC000530246060 324556314 /nfs/dbraw/zinc/55/63/14/324556314.db2.gz AIZWJDXZICBGIT-ZDUSSCGKSA-N 2 0 247.342 1.333 20 0 BDADRP [NH3+]CCCCNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000071401083 325073236 /nfs/dbraw/zinc/07/32/36/325073236.db2.gz OWUBUWQPUYWWFL-CYBMUJFWSA-N 2 0 249.358 1.322 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)C[C@H]2CCC[NH2+]2)cc1 ZINC000131646811 325173074 /nfs/dbraw/zinc/17/30/74/325173074.db2.gz RZWAPTXCISBBAH-GFCCVEGCSA-N 2 0 233.315 1.226 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+][C@@H]2CCCOC2)c2ccccc21 ZINC000132109897 325199988 /nfs/dbraw/zinc/19/99/88/325199988.db2.gz KUXJKMIIFIGTHT-DDTOSNHZSA-N 2 0 232.327 1.900 20 0 BDADRP CCOC1CC[NH+](CCC[NH2+]C)CC1 ZINC000042409710 487968395 /nfs/dbraw/zinc/96/83/95/487968395.db2.gz ZPWWFMVOKIULPD-UHFFFAOYSA-N 2 0 200.326 1.097 20 0 BDADRP C[NH+](C)CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000082262502 325534918 /nfs/dbraw/zinc/53/49/18/325534918.db2.gz XTUYGDABXPTEHQ-UHFFFAOYSA-N 2 0 249.358 1.040 20 0 BDADRP CCOCCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000086402146 325614556 /nfs/dbraw/zinc/61/45/56/325614556.db2.gz AQJRTGQIYDJXMZ-MNOVXSKESA-N 2 0 200.326 1.273 20 0 BDADRP C[C@H]([NH3+])c1ccc(C(=O)NC[C@@H]([NH3+])C2CC2)cc1 ZINC000565421311 325909067 /nfs/dbraw/zinc/90/90/67/325909067.db2.gz VUGZPNGLRIAQMD-TVQRCGJNSA-N 2 0 247.342 1.173 20 0 BDADRP CC(C)[NH2+]CCCN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000566004077 325982546 /nfs/dbraw/zinc/98/25/46/325982546.db2.gz MXUIDKRMDRBMEN-QWHCGFSZSA-N 2 0 227.396 1.495 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)C[C@H](C)O1 ZINC000566090656 325992827 /nfs/dbraw/zinc/99/28/27/325992827.db2.gz HHKCRRHXFFXRJQ-PDWCTOEPSA-N 2 0 240.391 1.920 20 0 BDADRP CC(C)[NH+](CCCNC(=O)CCC[NH3+])C(C)C ZINC000566181413 326008181 /nfs/dbraw/zinc/00/81/81/326008181.db2.gz YRPXHTQNQBQFOF-UHFFFAOYSA-N 2 0 243.395 1.350 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000566229872 326019123 /nfs/dbraw/zinc/01/91/23/326019123.db2.gz QSQAAPSRKBAXPC-HTVCTNPSSA-N 2 0 239.407 1.623 20 0 BDADRP C[NH2+]Cc1ccccc1NC(=O)CC[C@@H](C)[NH3+] ZINC000566240011 326021140 /nfs/dbraw/zinc/02/11/40/326021140.db2.gz CEGNEWUPDZDDEQ-SNVBAGLBSA-N 2 0 235.331 1.472 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000566245581 326022643 /nfs/dbraw/zinc/02/26/43/326022643.db2.gz VPOLNWAKJXJWDM-GFCCVEGCSA-N 3 0 235.375 1.752 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000566482927 326056488 /nfs/dbraw/zinc/05/64/88/326056488.db2.gz QQGDRLLIFSBVKR-IRCOFANPSA-N 2 0 211.353 1.116 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](CO)CC2CCCC2)C1 ZINC000566571454 326065311 /nfs/dbraw/zinc/06/53/11/326065311.db2.gz BJFGLXYVEDGNDW-RDBSUJKOSA-N 2 0 240.391 1.787 20 0 BDADRP CC[NH2+]CCC[NH2+][C@@H]1CCC[C@H]1COCC ZINC000566614424 326067851 /nfs/dbraw/zinc/06/78/51/326067851.db2.gz RIVPDDYRNJXMHD-QWHCGFSZSA-N 2 0 228.380 1.781 20 0 BDADRP C[C@@H]1CCC[N@H+](CCN[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000566689808 326075125 /nfs/dbraw/zinc/07/51/25/326075125.db2.gz VKEDBPZXVWWSSW-RDBSUJKOSA-N 3 0 239.407 1.578 20 0 BDADRP CC[C@H](N[C@@H]1CO[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000566738677 326078382 /nfs/dbraw/zinc/07/83/82/326078382.db2.gz GZHQZYLKHGYFCZ-BJDJZHNGSA-N 2 0 212.337 1.284 20 0 BDADRP C[C@@H](O)[C@@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000567161372 326126118 /nfs/dbraw/zinc/12/61/18/326126118.db2.gz XFCZOGKSEBVODO-GHMZBOCLSA-N 2 0 226.364 1.220 20 0 BDADRP CCOC[C@@H]1CCC[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000567226685 326145723 /nfs/dbraw/zinc/14/57/23/326145723.db2.gz IOZSSWMQNAXDPB-UONOGXRCSA-N 2 0 240.391 1.781 20 0 BDADRP CC[C@@H](C)[NH2+]CCCC[NH+]1CCN(CC)CC1 ZINC000154513722 326147987 /nfs/dbraw/zinc/14/79/87/326147987.db2.gz JEXRTBOQFYXLRM-CQSZACIVSA-N 2 0 241.423 1.792 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CC2(CCO)CC2)C1 ZINC000156735406 326241200 /nfs/dbraw/zinc/24/12/00/326241200.db2.gz JCHJREHFLYAOLI-WDEREUQCSA-N 2 0 212.337 1.009 20 0 BDADRP C[C@@H]1CN([C@H]2CCC[C@@H]([NH3+])C2)C[C@@]1(C)C[NH3+] ZINC000567752459 326255424 /nfs/dbraw/zinc/25/54/24/326255424.db2.gz LHSAVWLWUDBZIY-FVCCEPFGSA-N 2 0 225.380 1.173 20 0 BDADRP C[C@@H]1CN([C@H]2CCC[C@H]([NH3+])C2)C[C@@]1(C)C[NH3+] ZINC000567752460 326255465 /nfs/dbraw/zinc/25/54/65/326255465.db2.gz LHSAVWLWUDBZIY-MROQNXINSA-N 2 0 225.380 1.173 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000567925223 326284251 /nfs/dbraw/zinc/28/42/51/326284251.db2.gz GFUPKAUBUADJBY-GARJFASQSA-N 2 0 241.379 1.007 20 0 BDADRP c1cn(C2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000567990630 326292666 /nfs/dbraw/zinc/29/26/66/326292666.db2.gz POFPHAZLDLHYKR-ZDUSSCGKSA-N 2 0 248.374 1.520 20 0 BDADRP CC[C@@H](C)C[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000568175093 326319969 /nfs/dbraw/zinc/31/99/69/326319969.db2.gz RHWKLOFPXBOTSQ-CYBMUJFWSA-N 2 0 242.407 1.857 20 0 BDADRP Cc1cncc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000568247886 326334121 /nfs/dbraw/zinc/33/41/21/326334121.db2.gz ZUUWAEHPYXBLFP-QWHCGFSZSA-N 2 0 219.332 1.750 20 0 BDADRP Cc1ncc(C[NH2+]C[C@H]2CCOC[C@H]2C)n1C ZINC000568269295 326337509 /nfs/dbraw/zinc/33/75/09/326337509.db2.gz GRELDMGAOOTDRU-ZYHUDNBSSA-N 2 0 237.347 1.491 20 0 BDADRP CC1(C)CCC[NH2+][C@@H]1CNCC1(F)CC1 ZINC000568367632 326350259 /nfs/dbraw/zinc/35/02/59/326350259.db2.gz BROQWVFCSZMAQX-SNVBAGLBSA-N 2 0 214.328 1.856 20 0 BDADRP COCC1(CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000568415243 326356182 /nfs/dbraw/zinc/35/61/82/326356182.db2.gz MACQJSVTUHBRJM-RYUDHWBXSA-N 2 0 226.364 1.663 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C(C)C)C1 ZINC000568649543 326369260 /nfs/dbraw/zinc/36/92/60/326369260.db2.gz MPBIDPHNJBGXRA-KBPBESRZSA-N 2 0 242.407 1.667 20 0 BDADRP OCC[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000220371111 487980066 /nfs/dbraw/zinc/98/00/66/487980066.db2.gz MNAZKHIBMDCHRI-LBPRGKRZSA-N 2 0 226.364 1.080 20 0 BDADRP O[C@H](C[NH2+][C@H]1CC=CCC1)C[NH+]1CCCC1 ZINC000084067845 487992011 /nfs/dbraw/zinc/99/20/11/487992011.db2.gz DQFOQFAXRBNOFV-QWHCGFSZSA-N 2 0 224.348 1.141 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000659924786 488001807 /nfs/dbraw/zinc/00/18/07/488001807.db2.gz GOUXQGUCZGWAEN-FQUUOJAGSA-N 2 0 222.376 1.916 20 0 BDADRP C1[NH2+]C[C@H]2C[C@H]([NH2+][C@@H]3CCCOC3)CC[C@H]12 ZINC000400964671 488011528 /nfs/dbraw/zinc/01/15/28/488011528.db2.gz MOVFYQAHRIOBOL-FDYHWXHSSA-N 2 0 224.348 1.143 20 0 BDADRP C1[NH2+]C[C@H]2C[C@H]([NH2+][C@@H]3CCCOC3)CC[C@@H]12 ZINC000400964673 488011537 /nfs/dbraw/zinc/01/15/37/488011537.db2.gz MOVFYQAHRIOBOL-UMSGYPCISA-N 2 0 224.348 1.143 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401008864 488015492 /nfs/dbraw/zinc/01/54/92/488015492.db2.gz GADWJGYRSDXZCW-AAVRWANBSA-N 2 0 240.391 1.373 20 0 BDADRP CCOCCC[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000147449588 488024342 /nfs/dbraw/zinc/02/43/42/488024342.db2.gz YPIQQQOWGFMRJP-NEPJUHHUSA-N 2 0 214.353 1.472 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401067080 488025502 /nfs/dbraw/zinc/02/55/02/488025502.db2.gz ZKEIVBKDGARMJV-RQJABVFESA-N 2 0 240.391 1.515 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CS1 ZINC000401065077 488025226 /nfs/dbraw/zinc/02/52/26/488025226.db2.gz YUQRNVBCJFSTSL-VEGXAWMVSA-N 2 0 240.416 1.858 20 0 BDADRP Cc1nnsc1CN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000380115944 488027361 /nfs/dbraw/zinc/02/73/61/488027361.db2.gz TVPHMPONCPALCR-CBAPKCEASA-N 2 0 226.349 1.016 20 0 BDADRP Cc1ccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])o1 ZINC000084221521 488038643 /nfs/dbraw/zinc/03/86/43/488038643.db2.gz IHKNJUZNLYPUEQ-JQWIXIFHSA-N 2 0 208.305 1.805 20 0 BDADRP Cc1csc(CC[NH2+][C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000084221772 488038659 /nfs/dbraw/zinc/03/86/59/488038659.db2.gz OIGBYRWSIAUOEA-WDEREUQCSA-N 2 0 239.388 1.711 20 0 BDADRP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C[N@H+](C)C(C)C ZINC000388608805 488049750 /nfs/dbraw/zinc/04/97/50/488049750.db2.gz XBHSNMJBVILWJH-MCIONIFRSA-N 2 0 242.407 1.856 20 0 BDADRP Cc1cc(CN2CC[C@@]3(CC[NH2+]C3)C2)nc(C)n1 ZINC000257709062 488085396 /nfs/dbraw/zinc/08/53/96/488085396.db2.gz SICURRHLXFKSMJ-CQSZACIVSA-N 2 0 246.358 1.279 20 0 BDADRP CCCN1CC[C@@H]([NH2+]Cc2cc[nH]c2)C1 ZINC000389308938 488088685 /nfs/dbraw/zinc/08/86/85/488088685.db2.gz DTXPXJOQEWLNKH-GFCCVEGCSA-N 2 0 207.321 1.589 20 0 BDADRP Cc1ccnc(CN2CC[C@H](C[NH+](C)C)C2)c1 ZINC000683009064 488089285 /nfs/dbraw/zinc/08/92/85/488089285.db2.gz HIPBZJHZCMCTDX-CYBMUJFWSA-N 2 0 233.359 1.774 20 0 BDADRP CC[C@H]([NH3+])C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000236954662 488097951 /nfs/dbraw/zinc/09/79/51/488097951.db2.gz DEMGRSBIPSXISF-NSHDSACASA-N 2 0 221.304 1.082 20 0 BDADRP CCC[N@@H+]1CC[C@@H](NC(=O)CCC(C)(C)[NH3+])C1 ZINC000389715082 488108694 /nfs/dbraw/zinc/10/86/94/488108694.db2.gz GFTCVLJAUVTYNZ-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)[C@H]2CC[NH2+][C@H]2C)c1 ZINC000669509258 488109232 /nfs/dbraw/zinc/10/92/32/488109232.db2.gz VWNSTDKCOCIONG-GWCFXTLKSA-N 2 0 247.342 1.343 20 0 BDADRP C[C@@H]1CC[NH2+][C@@H](C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000669508371 488109136 /nfs/dbraw/zinc/10/91/36/488109136.db2.gz OVRVEYPHFBOUOE-ZWNOBZJWSA-N 2 0 247.342 1.472 20 0 BDADRP [NH3+]Cc1cccc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000669508352 488109145 /nfs/dbraw/zinc/10/91/45/488109145.db2.gz NSOANRKHPKFAJX-NEPJUHHUSA-N 2 0 247.342 1.601 20 0 BDADRP CC(C)(C[NH3+])NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000669510496 488112294 /nfs/dbraw/zinc/11/22/94/488112294.db2.gz UPUIZHDCWXZBLM-LBPRGKRZSA-N 2 0 249.358 1.320 20 0 BDADRP C[C@@H](C(=O)N(C)CCC[NH3+])[C@H]([NH3+])c1ccccc1 ZINC000669511872 488117257 /nfs/dbraw/zinc/11/72/57/488117257.db2.gz KRGKEFADZWLLGU-YPMHNXCESA-N 2 0 249.358 1.130 20 0 BDADRP C[C@@H](O)C1([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000668699694 488132207 /nfs/dbraw/zinc/13/22/07/488132207.db2.gz QMMHGOJDOWJCOZ-LLVKDONJSA-N 2 0 238.375 1.364 20 0 BDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C)[NH3+] ZINC000166371824 488133147 /nfs/dbraw/zinc/13/31/47/488133147.db2.gz MEUXJKOCCJVNPM-RYUDHWBXSA-N 2 0 241.379 1.104 20 0 BDADRP CC(C)OC(=O)CC[C@@H](C)[NH2+]CCCC[NH3+] ZINC001172756640 974930927 /nfs/dbraw/zinc/93/09/27/974930927.db2.gz PGXVZUMONMSENY-LLVKDONJSA-N 2 0 230.352 1.435 20 0 BDADRP CCc1nn(C)cc1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000168876307 487549324 /nfs/dbraw/zinc/54/93/24/487549324.db2.gz LZTDHYPPNCAICU-WDEREUQCSA-N 2 0 236.363 1.152 20 0 BDADRP CC[NH+](CC)C[C@H](C)NC(=O)CCC(C)(C)[NH3+] ZINC000070088327 487549343 /nfs/dbraw/zinc/54/93/43/487549343.db2.gz NVFQJSYZFPXARB-NSHDSACASA-N 2 0 243.395 1.350 20 0 BDADRP Cc1ncc(C[N@H+]2C[C@H](O)CC[C@H]2C)n1C ZINC000668245118 487549540 /nfs/dbraw/zinc/54/95/40/487549540.db2.gz UDYNYVVLTDILKX-BXKDBHETSA-N 2 0 223.320 1.074 20 0 BDADRP [NH3+]Cc1ccc(C(=O)NC[C@H]2CCCC[NH2+]2)cc1 ZINC000237916711 487533599 /nfs/dbraw/zinc/53/35/99/487533599.db2.gz YVEUCVQJXVYSOB-CYBMUJFWSA-N 2 0 247.342 1.017 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C2CC2)C1 ZINC000399987480 487498816 /nfs/dbraw/zinc/49/88/16/487498816.db2.gz CYNUDQSWNUAYJE-KBPBESRZSA-N 2 0 240.391 1.419 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@@H](CO)CC2CC2)CC1 ZINC000679999854 487512290 /nfs/dbraw/zinc/51/22/90/487512290.db2.gz SDDLSJNHTIKXLN-CQSZACIVSA-N 2 0 240.391 1.610 20 0 BDADRP CO[C@H](C[N@@H+]1CCC[C@H](CC[NH3+])C1)C1CCC1 ZINC000662271761 487518890 /nfs/dbraw/zinc/51/88/90/487518890.db2.gz ISJAJKYTCUGDNY-TZMCWYRMSA-N 2 0 240.391 1.862 20 0 BDADRP CC(C)C[C@@H]([NH3+])C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000161879188 487523103 /nfs/dbraw/zinc/52/31/03/487523103.db2.gz KOIKJYZNRUUXPF-NWDGAFQWSA-N 2 0 243.395 1.192 20 0 BDADRP CC[NH+](CC)CCCNC(=O)CC1([NH3+])CCC1 ZINC000094293458 487523907 /nfs/dbraw/zinc/52/39/07/487523907.db2.gz RLNNOYUOWJHJOW-UHFFFAOYSA-N 2 0 241.379 1.106 20 0 BDADRP Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cnn1C ZINC000222962585 488138016 /nfs/dbraw/zinc/13/80/16/488138016.db2.gz GGEATQIWEYXZSY-MVWJERBFSA-N 2 0 236.363 1.649 20 0 BDADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCc1ccnn1C ZINC000230775503 488156659 /nfs/dbraw/zinc/15/66/59/488156659.db2.gz MNQRXEJHLNDSML-ZDUSSCGKSA-N 2 0 238.379 1.268 20 0 BDADRP C[NH2+]CCC[N@@H+]1Cc2ccccc2N(C)C[C@H]1C ZINC000435878876 488186059 /nfs/dbraw/zinc/18/60/59/488186059.db2.gz HAMOYOUDAMJFAS-CYBMUJFWSA-N 2 0 247.386 1.936 20 0 BDADRP CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H](C)CCC[NH3+] ZINC000662568450 490095390 /nfs/dbraw/zinc/09/53/90/490095390.db2.gz NZMWGQZFFMQHSO-RYUDHWBXSA-N 2 0 243.395 1.241 20 0 BDADRP CN1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000401013327 490181029 /nfs/dbraw/zinc/18/10/29/490181029.db2.gz STTRZOQNWYCCHO-OUCADQQQSA-N 2 0 237.391 1.058 20 0 BDADRP CC[C@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000383723844 490200286 /nfs/dbraw/zinc/20/02/86/490200286.db2.gz YVWFAUSKVNIABO-UONOGXRCSA-N 2 0 242.407 1.810 20 0 BDADRP CC(C)n1cc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000414924355 490213587 /nfs/dbraw/zinc/21/35/87/490213587.db2.gz JYWQTAZPDRRZDC-CHWSQXEVSA-N 2 0 236.363 1.824 20 0 BDADRP CN(C[C@@H](O)C[N@H+]1C[C@@H]2[C@H](C1)C2(C)C)C1CC1 ZINC000351527265 490223730 /nfs/dbraw/zinc/22/37/30/490223730.db2.gz ZECZUUBFWUMMCW-UPJWGTAASA-N 2 0 238.375 1.029 20 0 BDADRP C[C@H]([NH2+][C@H]1CCCN(C)C1)C1CCOCC1 ZINC000222589074 490647926 /nfs/dbraw/zinc/64/79/26/490647926.db2.gz CSKMSACLJVKNQS-AAEUAGOBSA-N 2 0 226.364 1.485 20 0 BDADRP CC[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000387967034 491058633 /nfs/dbraw/zinc/05/86/33/491058633.db2.gz FEGQKIBHYAJQLM-NDBYEHHHSA-N 2 0 210.365 1.962 20 0 BDADRP C[C@@H]([NH2+]CCCCCO)C1CC[NH+](C)CC1 ZINC000228735735 491103125 /nfs/dbraw/zinc/10/31/25/491103125.db2.gz MKAKROPOLZTBHR-GFCCVEGCSA-N 2 0 228.380 1.469 20 0 BDADRP C[NH+](C)CCCN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000084500828 491121965 /nfs/dbraw/zinc/12/19/65/491121965.db2.gz UHZWWBRECBLHHV-GFCCVEGCSA-N 3 0 227.396 1.401 20 0 BDADRP COCc1cccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000090320306 491124454 /nfs/dbraw/zinc/12/44/54/491124454.db2.gz JJNIREMRYUCALP-HUUCEWRRSA-N 2 0 246.354 1.484 20 0 BDADRP C[N@@H+](Cc1cncnc1)CC1CC[NH+](C)CC1 ZINC000132203192 491134675 /nfs/dbraw/zinc/13/46/75/491134675.db2.gz XHERXUPBHAYNJL-UHFFFAOYSA-N 2 0 234.347 1.250 20 0 BDADRP C[C@H](CCCCO)[NH2+]CCN1CCCC1 ZINC000309002031 491142174 /nfs/dbraw/zinc/14/21/74/491142174.db2.gz OJXOHKVAAQYZAP-GFCCVEGCSA-N 2 0 214.353 1.223 20 0 BDADRP COc1cccc(CN(C)CCC[NH3+])c1OC ZINC000133721122 491159944 /nfs/dbraw/zinc/15/99/44/491159944.db2.gz DCERONRITBYXNU-UHFFFAOYSA-N 2 0 238.331 1.484 20 0 BDADRP C[C@H](NCC1([NH+](C)C)CCC1)[C@@H]1CCC[NH2+]1 ZINC000400502475 533834018 /nfs/dbraw/zinc/83/40/18/533834018.db2.gz CLFOGIFZAPOPJR-RYUDHWBXSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@H](NCCC[NH+]1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000400715984 533846021 /nfs/dbraw/zinc/84/60/21/533846021.db2.gz NHFHMXKOWJNFDU-KBPBESRZSA-N 2 0 239.407 1.593 20 0 BDADRP C[C@H](NCC[N@H+](C)C1CCCC1)[C@H]1CCC[NH2+]1 ZINC000400754882 533854891 /nfs/dbraw/zinc/85/48/91/533854891.db2.gz WRNTZSLFVBYTOQ-GXTWGEPZSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCCSC1)[C@@H]1CCC[NH2+]1 ZINC000400345734 533883120 /nfs/dbraw/zinc/88/31/20/533883120.db2.gz IVLLSZTVJVCXQI-SRVKXCTJSA-N 2 0 228.405 1.860 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2C[NH3+])CS1 ZINC000306767019 533961500 /nfs/dbraw/zinc/96/15/00/533961500.db2.gz CBAOOTYRTNSYNR-VPOLOUISSA-N 2 0 214.378 1.597 20 0 BDADRP C[C@H](O)C[C@H](C)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400464437 534099611 /nfs/dbraw/zinc/09/96/11/534099611.db2.gz VQFJWXLPVWJUJJ-BJDJZHNGSA-N 2 0 214.353 1.124 20 0 BDADRP C[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)CCCO1 ZINC000891916770 582737784 /nfs/dbraw/zinc/73/77/84/582737784.db2.gz ORUFWEMLUZATNR-GFCCVEGCSA-N 2 0 226.364 1.439 20 0 BDADRP CC(C)(C)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000257680727 534605227 /nfs/dbraw/zinc/60/52/27/534605227.db2.gz GXOVKIPWUKIJEY-GFCCVEGCSA-N 2 0 225.380 1.012 20 0 BDADRP C[C@H](O)CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000238851043 525729261 /nfs/dbraw/zinc/72/92/61/525729261.db2.gz DUQNWNUTORGVJR-FIQHERPVSA-N 2 0 214.353 1.076 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)N[C@H](C)CCCC[NH3+] ZINC000494686566 527894507 /nfs/dbraw/zinc/89/45/07/527894507.db2.gz OVYRDIGQNGEYPF-ZYHUDNBSSA-N 2 0 229.368 1.138 20 0 BDADRP COC[C@@H](C)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000261545468 536521939 /nfs/dbraw/zinc/52/19/39/536521939.db2.gz KBKSTSGYUIXRSP-VXGBXAGGSA-N 2 0 212.337 1.097 20 0 BDADRP CCC[C@H](CCO)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400438637 528126616 /nfs/dbraw/zinc/12/66/16/528126616.db2.gz LVRGVUPQFUATLO-YNEHKIRRSA-N 2 0 228.380 1.515 20 0 BDADRP CC[N@H+](CCN[C@@H](C)[C@H]1CCC[NH2+]1)C1CC1 ZINC000400721422 528512605 /nfs/dbraw/zinc/51/26/05/528512605.db2.gz OPQZJLAHFPCJKX-WCQYABFASA-N 2 0 225.380 1.201 20 0 BDADRP CC[N@H+](CCN[C@H](C)[C@H]1CCC[NH2+]1)C1CC1 ZINC000400721421 528517451 /nfs/dbraw/zinc/51/74/51/528517451.db2.gz OPQZJLAHFPCJKX-DGCLKSJQSA-N 2 0 225.380 1.201 20 0 BDADRP CCCC[C@@H]([NH3+])C(=O)N[C@@H](C)CCCC[NH3+] ZINC000495100840 528835554 /nfs/dbraw/zinc/83/55/54/528835554.db2.gz KJFCALJUXXPCBF-WDEREUQCSA-N 2 0 229.368 1.138 20 0 BDADRP CC(C)[NH+]1CCC(O)(C[NH2+]C[C@H]2C[C@@H]2C)CC1 ZINC000488439349 529004730 /nfs/dbraw/zinc/00/47/30/529004730.db2.gz ZRBSDXQNJYXTBU-QWHCGFSZSA-N 2 0 240.391 1.467 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]C[C@H](C)CCO)CC1 ZINC000085126605 535161942 /nfs/dbraw/zinc/16/19/42/535161942.db2.gz SMRFRDPVSHYPRL-GFCCVEGCSA-N 2 0 228.380 1.467 20 0 BDADRP CC(C)COCC[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000261591123 535176504 /nfs/dbraw/zinc/17/65/04/535176504.db2.gz VBQZYCBCAHQAHS-GFCCVEGCSA-N 2 0 228.380 1.637 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000261809964 535353043 /nfs/dbraw/zinc/35/30/43/535353043.db2.gz GNXFNTAQLJKLNY-RYUDHWBXSA-N 2 0 241.379 1.010 20 0 BDADRP CC[NH+](CC)CCCN1C[C@@H](C)[NH2+]C[C@H]1C ZINC000249921930 535510400 /nfs/dbraw/zinc/51/04/00/535510400.db2.gz AZFWAXBYHHDTHF-CHWSQXEVSA-N 2 0 227.396 1.401 20 0 BDADRP CCOCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000084216115 535627790 /nfs/dbraw/zinc/62/77/90/535627790.db2.gz BONGANRAPBWHLJ-QWRGUYRKSA-N 2 0 200.326 1.130 20 0 BDADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)C2CC2)CC1 ZINC000177216837 535741654 /nfs/dbraw/zinc/74/16/54/535741654.db2.gz FJCGEGBAEOOKMZ-CHWSQXEVSA-N 2 0 239.407 1.401 20 0 BDADRP CCC[C@]1(CO)CCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261811346 535767347 /nfs/dbraw/zinc/76/73/47/535767347.db2.gz HRIHHOKRPPIRET-UONOGXRCSA-N 2 0 240.391 1.613 20 0 BDADRP CC[N@H+]1C[C@H](NCCC[NH+](C)C(C)C)[C@@H](C)C1 ZINC000343153627 535783829 /nfs/dbraw/zinc/78/38/29/535783829.db2.gz DOGZDUYSWFMMMR-KBPBESRZSA-N 2 0 241.423 1.647 20 0 BDADRP CC[C@@H]1CC[C@H]1[NH2+]CCCC[NH+]1CCOCC1 ZINC000348091941 535824755 /nfs/dbraw/zinc/82/47/55/535824755.db2.gz ZEIYYZLLEUULJD-ZIAGYGMSSA-N 2 0 240.391 1.877 20 0 BDADRP CCc1nn(C)cc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000168661600 535828701 /nfs/dbraw/zinc/82/87/01/535828701.db2.gz NBCWIIHPRMJVLA-GXFFZTMASA-N 2 0 236.363 1.200 20 0 BDADRP CC[C@H](C)[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000249052762 535895389 /nfs/dbraw/zinc/89/53/89/535895389.db2.gz XUXIEZKAWCCLOE-WYTNZGFTSA-N 2 0 240.391 1.608 20 0 BDADRP CC[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000252724115 535995331 /nfs/dbraw/zinc/99/53/31/535995331.db2.gz WKXYHMTWPWFCEF-NOOOWODRSA-N 2 0 214.353 1.076 20 0 BDADRP C[NH+](C)Cc1cccc(C(=O)NC(C)(C)C[NH3+])c1 ZINC000262549490 536024566 /nfs/dbraw/zinc/02/45/66/536024566.db2.gz PZXRVEKHWVFWFZ-UHFFFAOYSA-N 2 0 249.358 1.215 20 0 BDADRP C[N@H+](CCC1CCOCC1)C[C@@H]1CCC[NH2+]C1 ZINC000258942761 536326203 /nfs/dbraw/zinc/32/62/03/536326203.db2.gz IATAZRYMMFJBQI-CQSZACIVSA-N 2 0 240.391 1.735 20 0 BDADRP CN1CCC([NH2+]CC2(C)CC[NH+](C)CC2)CC1 ZINC000227497314 536343728 /nfs/dbraw/zinc/34/37/28/536343728.db2.gz BTFNZTFQZDGRHJ-UHFFFAOYSA-N 2 0 239.407 1.402 20 0 BDADRP C[NH2+][C@@H]1CCCN(CCC2CC[NH2+]CC2)C1 ZINC000261776938 536361851 /nfs/dbraw/zinc/36/18/51/536361851.db2.gz OUCUSHHLQCLNCE-CYBMUJFWSA-N 2 0 225.380 1.060 20 0 BDADRP COCCC[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000086500635 536591697 /nfs/dbraw/zinc/59/16/97/536591697.db2.gz FCPMHAXNEHBALT-OLZOCXBDSA-N 2 0 228.380 1.923 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CCCS1 ZINC000234725034 536596283 /nfs/dbraw/zinc/59/62/83/536596283.db2.gz VXKPPPFLVFRKLC-MNOVXSKESA-N 2 0 232.393 1.226 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])C1CC1 ZINC000261967510 536646306 /nfs/dbraw/zinc/64/63/06/536646306.db2.gz BSSYFLCJQOIDJX-QJPTWQEYSA-N 2 0 212.337 1.128 20 0 BDADRP COCC[C@@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000251275311 536767606 /nfs/dbraw/zinc/76/76/06/536767606.db2.gz CNELLXXHFDQRMY-NEPJUHHUSA-N 2 0 216.369 1.717 20 0 BDADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CC[C@H]2C)CC1 ZINC000783226076 582949718 /nfs/dbraw/zinc/94/97/18/582949718.db2.gz ZIOJJKJLEJEIJF-MGPQQGTHSA-N 2 0 239.407 1.401 20 0 BDADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CC[C@@H]2C2CC2)CC1 ZINC000348105145 566264926 /nfs/dbraw/zinc/26/49/26/566264926.db2.gz FSOXVFMBKOTXLC-OLZOCXBDSA-N 2 0 238.375 1.221 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H](C)COC(C)=O)CC1 ZINC000892939568 583012476 /nfs/dbraw/zinc/01/24/76/583012476.db2.gz SLZLSTMCNYJQBW-LLVKDONJSA-N 2 0 242.363 1.260 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+]C[C@@H]1CCCOC1 ZINC000853247434 588729033 /nfs/dbraw/zinc/72/90/33/588729033.db2.gz PJCUUANPKRTIJW-NWDGAFQWSA-N 2 0 214.353 1.376 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1C[C@H](O)c2ccccc21 ZINC000854228540 588780977 /nfs/dbraw/zinc/78/09/77/588780977.db2.gz AFUJGEUKUFJHKA-NUZBWSBOSA-N 2 0 234.343 1.880 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@@H](O)c2ccccc21 ZINC000854229307 588780991 /nfs/dbraw/zinc/78/09/91/588780991.db2.gz KRPXOVJBXNYWOJ-FBUXBERBSA-N 2 0 246.354 1.882 20 0 BDADRP Cc1cc(NCC2CC[NH+](C)CC2)nc(N)[nH+]1 ZINC000112013426 588780222 /nfs/dbraw/zinc/78/02/22/588780222.db2.gz SUGVDMXLHUWMFA-UHFFFAOYSA-N 2 0 235.335 1.121 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@H]1C=CCC1 ZINC000854221731 588780246 /nfs/dbraw/zinc/78/02/46/588780246.db2.gz UBQHAPBOAFURHH-FIQHERPVSA-N 2 0 210.321 1.047 20 0 BDADRP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCC12CCOCC2 ZINC000854232250 588781180 /nfs/dbraw/zinc/78/11/80/588781180.db2.gz OQFHLBPQVGHAGU-MNOVXSKESA-N 2 0 212.337 1.143 20 0 BDADRP C[NH+](C)C1(CNC(=[NH2+])NC(C)(C)C)CCCC1 ZINC000112800641 588817349 /nfs/dbraw/zinc/81/73/49/588817349.db2.gz HKFMQFODPLMNCP-UHFFFAOYSA-N 2 0 240.395 1.773 20 0 BDADRP C[N@@H+](Cc1cc[nH]c(=O)c1)CC1CC[NH+](C)CC1 ZINC000891933295 582739718 /nfs/dbraw/zinc/73/97/18/582739718.db2.gz FJRYSXFPCGMAQU-UHFFFAOYSA-N 2 0 249.358 1.561 20 0 BDADRP CC[NH+](CC)C[C@H](C)Nc1cc[nH+]cc1CO ZINC000892033964 582767283 /nfs/dbraw/zinc/76/72/83/582767283.db2.gz YJNIPLAYVGNHMJ-NSHDSACASA-N 2 0 237.347 1.138 20 0 BDADRP C[C@H]1C[NH+](CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000892068312 582782877 /nfs/dbraw/zinc/78/28/77/582782877.db2.gz KLANFNVVVDYVCD-RYUDHWBXSA-N 2 0 210.365 1.916 20 0 BDADRP COC1(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCCCC1 ZINC000319189525 582855442 /nfs/dbraw/zinc/85/54/42/582855442.db2.gz OKKQRPJSPUZYEU-BETUJISGSA-N 2 0 238.375 1.487 20 0 BDADRP COc1ccc(CNCCC[NH+](C)C)o1 ZINC000892429946 582885991 /nfs/dbraw/zinc/88/59/91/582885991.db2.gz VSFFWUNEUYYQLB-UHFFFAOYSA-N 2 0 212.293 1.330 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)COC(C)=O)C1 ZINC000892668842 582946498 /nfs/dbraw/zinc/94/64/98/582946498.db2.gz RIDFHIRHNXMKNE-WCQYABFASA-N 2 0 242.363 1.260 20 0 BDADRP COCCC[NH+]1CCC([NH2+][C@@H]2CC[C@H]2C)CC1 ZINC000783235746 582952008 /nfs/dbraw/zinc/95/20/08/582952008.db2.gz BRFOEFNNUSUALA-TZMCWYRMSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@](C)(CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000893323326 583100788 /nfs/dbraw/zinc/10/07/88/583100788.db2.gz BQOCKMNGLRVCTO-PSEXLTFBSA-N 2 0 226.364 1.362 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](CC[C@@H](O)C(C)C)C1 ZINC000878166778 583365344 /nfs/dbraw/zinc/36/53/44/583365344.db2.gz FNJGCUFGWSWBPQ-ZIAGYGMSSA-N 2 0 242.407 1.667 20 0 BDADRP OCC[C@H](C[NH2+]Cc1cnc[nH]1)c1ccccc1 ZINC000894289478 583412258 /nfs/dbraw/zinc/41/22/58/583412258.db2.gz NLBXCNRYNDLALM-CYBMUJFWSA-N 2 0 245.326 1.666 20 0 BDADRP Cc1ncoc1CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000894565326 583483993 /nfs/dbraw/zinc/48/39/93/583483993.db2.gz DJHWIILWRCFVMC-GFCCVEGCSA-N 2 0 237.347 1.899 20 0 BDADRP COCC(C)(C)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000894591592 583490609 /nfs/dbraw/zinc/49/06/09/583490609.db2.gz OJGKAXIWFQCKHY-UHFFFAOYSA-N 2 0 228.380 1.685 20 0 BDADRP C[NH+]1CCC(C[NH+]2CC(C(F)F)C2)CC1 ZINC000894829155 583527156 /nfs/dbraw/zinc/52/71/56/583527156.db2.gz YXTZENPKPGIEOB-UHFFFAOYSA-N 2 0 218.291 1.525 20 0 BDADRP C[NH+]1CCC(C[NH+]2CC(C(C)(C)O)C2)CC1 ZINC000894830091 583527209 /nfs/dbraw/zinc/52/72/09/583527209.db2.gz IZGWCSFVYNPECL-UHFFFAOYSA-N 2 0 226.364 1.031 20 0 BDADRP CC[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@H](O)C(C)C ZINC000894915421 583555283 /nfs/dbraw/zinc/55/52/83/583555283.db2.gz LFRWNFXHKIGCGV-UONOGXRCSA-N 2 0 242.407 1.713 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCC[C@@H](F)C2)CC1 ZINC000895191620 583621720 /nfs/dbraw/zinc/62/17/20/583621720.db2.gz QOSSLVUZUYBOML-GFCCVEGCSA-N 2 0 214.328 1.762 20 0 BDADRP C[C@H](CC[NH2+][C@@H](C)C1CCOCC1)[NH+](C)C ZINC000895292555 583636984 /nfs/dbraw/zinc/63/69/84/583636984.db2.gz GUUONFIFZULHCR-NEPJUHHUSA-N 2 0 228.380 1.731 20 0 BDADRP Cc1ccnc(N)c1CNCC[C@H](C)[NH+](C)C ZINC000895290521 583637481 /nfs/dbraw/zinc/63/74/81/583637481.db2.gz KHWKEYOCWWNJKT-NSHDSACASA-N 2 0 236.363 1.402 20 0 BDADRP CC1=NO[C@@H](CN[C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000895302969 583644873 /nfs/dbraw/zinc/64/48/73/583644873.db2.gz XZGMUNKUIHBKGN-NWDGAFQWSA-N 2 0 239.363 1.614 20 0 BDADRP CC1=NO[C@@H](CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000895302972 583645011 /nfs/dbraw/zinc/64/50/11/583645011.db2.gz XZGMUNKUIHBKGN-VXGBXAGGSA-N 2 0 239.363 1.614 20 0 BDADRP C[C@H](CC[NH2+]C1CC2(C1)CO[C@@H](C)C2)[NH+](C)C ZINC000895429263 583669088 /nfs/dbraw/zinc/66/90/88/583669088.db2.gz LZWXOCKJHHMGEE-KBHBFKLGSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]1[C@@H](Nc2cc[nH+]c(CO)c2)CC[N@@H+]1C ZINC000895738011 583717725 /nfs/dbraw/zinc/71/77/25/583717725.db2.gz RVLQNBJLHDNMGV-SKDRFNHKSA-N 2 0 221.304 1.078 20 0 BDADRP CC1(C)CC([NH2+]C[C@H](O)C2CC2)CC(C)(C)[NH2+]1 ZINC000840732611 583945624 /nfs/dbraw/zinc/94/56/24/583945624.db2.gz FWVHXDCEEDRCFQ-LBPRGKRZSA-N 2 0 240.391 1.656 20 0 BDADRP CC[NH+]1CCC(Nc2cc[nH+]c(CO)c2)CC1 ZINC000858327105 588945952 /nfs/dbraw/zinc/94/59/52/588945952.db2.gz HMUHISDTOXNFLY-UHFFFAOYSA-N 2 0 235.331 1.470 20 0 BDADRP C[C@H]1CCCC[N@@H+]1CCNc1cc[nH+]c(CO)c1 ZINC000858348395 588947954 /nfs/dbraw/zinc/94/79/54/588947954.db2.gz AEFBZSVSRXVLOH-LBPRGKRZSA-N 2 0 249.358 1.860 20 0 BDADRP OCc1cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc[nH+]1 ZINC000858355833 588948411 /nfs/dbraw/zinc/94/84/11/588948411.db2.gz WNGXHJPZPGOEGY-TZMCWYRMSA-N 2 0 247.342 1.613 20 0 BDADRP CCC(CC)NC(=[NH2+])NC[C@H]1CC[N@H+](CC)C1 ZINC000864452298 584005317 /nfs/dbraw/zinc/00/53/17/584005317.db2.gz MHKYVBLCXKCOFP-LLVKDONJSA-N 2 0 240.395 1.631 20 0 BDADRP C[N@@H+]1C[C@@H]2C[NH+](CCC[C@@H]3CCO3)C[C@]2(C)C1 ZINC000897620075 584032444 /nfs/dbraw/zinc/03/24/44/584032444.db2.gz GKNFWMBHCDDDMU-MCIONIFRSA-N 2 0 238.375 1.439 20 0 BDADRP Cc1ncccc1CC[NH2+][C@H]1CN(C)C[C@H]1C ZINC000898255284 584101691 /nfs/dbraw/zinc/10/16/91/584101691.db2.gz JOAYRDUBQYODGF-RISCZKNCSA-N 2 0 233.359 1.472 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1cc[nH+]c(CO)c1 ZINC000858464599 588957432 /nfs/dbraw/zinc/95/74/32/588957432.db2.gz OYNLJEOSQMQPKE-WDEREUQCSA-N 2 0 235.331 1.103 20 0 BDADRP CC[N@@H+]1C[C@H](C)N(c2cc[nH+]c(CO)c2)C[C@H]1C ZINC000858462951 588957533 /nfs/dbraw/zinc/95/75/33/588957533.db2.gz ZHMSPMOFEILBCM-NEPJUHHUSA-N 2 0 249.358 1.493 20 0 BDADRP CCC1(CC)[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C[C@@H]1OC ZINC000873256290 584128295 /nfs/dbraw/zinc/12/82/95/584128295.db2.gz MRCBYFZQDWPUPB-LPWJVIDDSA-N 2 0 240.391 1.907 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1)C1C[NH2+]C1 ZINC000873281881 584128655 /nfs/dbraw/zinc/12/86/55/584128655.db2.gz QHEQROHBYUACRI-XRRVDJEJSA-N 2 0 224.348 1.142 20 0 BDADRP CC[N@@H+]1CC[C@@H](CNC(=[NH2+])N[C@@H](C)C2CC2)C1 ZINC000899266371 584189503 /nfs/dbraw/zinc/18/95/03/584189503.db2.gz SLADHOODEUWXTK-QWRGUYRKSA-N 2 0 238.379 1.241 20 0 BDADRP CC[N@@H+]1CC[C@@H](CNC(=[NH2+])N[C@H](C)C2CC2)C1 ZINC000899266370 584189656 /nfs/dbraw/zinc/18/96/56/584189656.db2.gz SLADHOODEUWXTK-MNOVXSKESA-N 2 0 238.379 1.241 20 0 BDADRP C[C@@H](NC(=[NH2+])NCC1=CC[N@H+](C)CC1)C1CC1 ZINC000899270940 584191163 /nfs/dbraw/zinc/19/11/63/584191163.db2.gz QRZFOFWLKBWHLF-SNVBAGLBSA-N 2 0 236.363 1.161 20 0 BDADRP C[NH+](C)C1(CNc2cc[nH+]c(CO)c2)CC1 ZINC000858572761 588967758 /nfs/dbraw/zinc/96/77/58/588967758.db2.gz SZVKKHLFFQCWEZ-UHFFFAOYSA-N 2 0 221.304 1.080 20 0 BDADRP C[C@@H]1C[C@H](c2nc([C@H]3CCC[NH2+]3)no2)CC[NH2+]1 ZINC000900009291 584265045 /nfs/dbraw/zinc/26/50/45/584265045.db2.gz GAYSDVSPHGPRSY-OPRDCNLKSA-N 2 0 236.319 1.350 20 0 BDADRP C1=C(c2nc([C@@H]3CCC[NH2+]3)no2)CC[NH2+]CC1 ZINC000900010149 584265566 /nfs/dbraw/zinc/26/55/66/584265566.db2.gz OKOXDKPJPHANJR-JTQLQIEISA-N 2 0 234.303 1.261 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902321137 584551908 /nfs/dbraw/zinc/55/19/08/584551908.db2.gz UXISSJKIGLVDCJ-YNEHKIRRSA-N 2 0 242.407 1.761 20 0 BDADRP C[C@@H](CN[C@@H]1CC[NH2+]CC(C)(C)C1)[NH+](C)C ZINC000902316175 584555980 /nfs/dbraw/zinc/55/59/80/584555980.db2.gz FGLZAIZUCLTQHC-NWDGAFQWSA-N 2 0 227.396 1.304 20 0 BDADRP CSCC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902326136 584560277 /nfs/dbraw/zinc/56/02/77/584560277.db2.gz BCAUPAJNUYDSNL-SNVBAGLBSA-N 2 0 216.394 1.717 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902371746 584566768 /nfs/dbraw/zinc/56/67/68/584566768.db2.gz UOYCUDGQOMJBRR-SRVKXCTJSA-N 2 0 228.380 1.514 20 0 BDADRP [NH3+][C@H]1C[C@H](NCC2([NH3+])CC2)c2ccccc21 ZINC000902405586 584573199 /nfs/dbraw/zinc/57/31/99/584573199.db2.gz JAYCXBFKDLPZPY-RYUDHWBXSA-N 2 0 217.316 1.212 20 0 BDADRP CC(C)O[C@@H]1C[C@H]([NH2+]CC2([NH3+])CC2)C1(C)C ZINC000902407196 584574865 /nfs/dbraw/zinc/57/48/65/584574865.db2.gz QALSAETUIQKKAI-WDEREUQCSA-N 2 0 226.364 1.659 20 0 BDADRP CC(C)O[C@@H]1C[C@@H]([NH2+]CC2([NH3+])CC2)C1(C)C ZINC000902407190 584575045 /nfs/dbraw/zinc/57/50/45/584575045.db2.gz QALSAETUIQKKAI-GHMZBOCLSA-N 2 0 226.364 1.659 20 0 BDADRP C[C@@H](CCCO)C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902386404 584578207 /nfs/dbraw/zinc/57/82/07/584578207.db2.gz DESIMKAQVHOJJE-STQMWFEESA-N 2 0 242.407 1.763 20 0 BDADRP C[C@H](CCO)CC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902387273 584579178 /nfs/dbraw/zinc/57/91/78/584579178.db2.gz IXRBISYNBOBVDU-QWHCGFSZSA-N 2 0 242.407 1.763 20 0 BDADRP C[C@@H](CCO)CC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902387272 584579238 /nfs/dbraw/zinc/57/92/38/584579238.db2.gz IXRBISYNBOBVDU-OLZOCXBDSA-N 2 0 242.407 1.763 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@H]2CCC[C@H]2O)C1 ZINC000902389667 584580707 /nfs/dbraw/zinc/58/07/07/584580707.db2.gz ZCOZMBVMSUIMSN-YNEHKIRRSA-N 2 0 240.391 1.515 20 0 BDADRP CC1(C)C[NH2+]CC[C@H](NCCC[NH2+]C2CC2)C1 ZINC000902391989 584582720 /nfs/dbraw/zinc/58/27/20/584582720.db2.gz DIEZXMGGKOJEFZ-ZDUSSCGKSA-N 2 0 239.407 1.496 20 0 BDADRP CC1(C)C[NH2+]CC[C@H](NCC[NH2+]C2CC2)C1 ZINC000902392150 584583065 /nfs/dbraw/zinc/58/30/65/584583065.db2.gz FNANKCIOZSLMIO-LBPRGKRZSA-N 2 0 225.380 1.106 20 0 BDADRP CC(C)C[C@H](C[NH3+])N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902392884 584584036 /nfs/dbraw/zinc/58/40/36/584584036.db2.gz LOVFMEZKFCBCSD-QWHCGFSZSA-N 2 0 241.423 1.728 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2ccc[nH]c2=O)C1 ZINC000902395500 584584691 /nfs/dbraw/zinc/58/46/91/584584691.db2.gz GHZRQHCPSQAQKW-GFCCVEGCSA-N 2 0 249.358 1.655 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CO1 ZINC000902394519 584584741 /nfs/dbraw/zinc/58/47/41/584584741.db2.gz YLQTXNWOTHZCGS-WOPDTQHZSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCC1([NH3+])CC1 ZINC000902405552 584589932 /nfs/dbraw/zinc/58/99/32/584589932.db2.gz ITMMYYMLIPCJJR-DGCLKSJQSA-N 2 0 233.359 1.026 20 0 BDADRP CC1(C)C[NH2+]C[C@@H]1N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902441242 584597887 /nfs/dbraw/zinc/59/78/87/584597887.db2.gz CZFQNHLAVNLNGC-NEPJUHHUSA-N 2 0 239.407 1.352 20 0 BDADRP C[C@H](NC[C@H]1CCCCC[NH2+]1)[C@@H]1CCCC[NH2+]1 ZINC000902477733 584603427 /nfs/dbraw/zinc/60/34/27/584603427.db2.gz RIIMISOKJUWBRF-MJBXVCDLSA-N 2 0 239.407 1.639 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)[NH2+]2 ZINC000902453297 584607905 /nfs/dbraw/zinc/60/79/05/584607905.db2.gz OVTNGYKDPWDXNE-ICTWVBNZSA-N 2 0 248.370 1.281 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)[NH2+]2 ZINC000902453296 584608299 /nfs/dbraw/zinc/60/82/99/584608299.db2.gz OVTNGYKDPWDXNE-FKGQBLIQSA-N 2 0 248.370 1.281 20 0 BDADRP CC1(C)CC[N@H+](CCN[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000902455170 584609274 /nfs/dbraw/zinc/60/92/74/584609274.db2.gz KDPJOKLTQSSLAW-CHWSQXEVSA-N 2 0 239.407 1.435 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000902459091 584610850 /nfs/dbraw/zinc/61/08/50/584610850.db2.gz BAPVFOIQWVFAOJ-NZEXEKPDSA-N 2 0 237.391 1.375 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cn(C)cn1 ZINC000902460672 584611486 /nfs/dbraw/zinc/61/14/86/584611486.db2.gz IHUMRMPKRZMVFA-JTQLQIEISA-N 2 0 210.325 1.027 20 0 BDADRP C[C@@H]1C[C@@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C[N@@H+]1C1CC1 ZINC000902465015 584613096 /nfs/dbraw/zinc/61/30/96/584613096.db2.gz FPECVYALCYHSLE-XBNNWQEZSA-N 2 0 235.375 1.094 20 0 BDADRP [NH3+][C@H]1C[C@@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c2ccccc21 ZINC000902465673 584613943 /nfs/dbraw/zinc/61/39/43/584613943.db2.gz HWFPTYHXSKXUSG-FDHZTJNISA-N 2 0 243.354 1.614 20 0 BDADRP C[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C1CC[NH+](C)CC1 ZINC000902467236 584614600 /nfs/dbraw/zinc/61/46/00/584614600.db2.gz NWSJJXBUOQXJRJ-YXCITZCRSA-N 3 0 237.391 1.199 20 0 BDADRP COCC1CCC([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC000902469448 584615404 /nfs/dbraw/zinc/61/54/04/584615404.db2.gz QTRJXTSBXRQJHF-PNKMZZHYSA-N 2 0 238.375 1.674 20 0 BDADRP C1CC1[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902470256 584616928 /nfs/dbraw/zinc/61/69/28/584616928.db2.gz VNFWWUHNTLXKQT-JZRPKSSGSA-N 2 0 206.333 1.658 20 0 BDADRP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cccc(O)c1 ZINC000902491370 584618208 /nfs/dbraw/zinc/61/82/08/584618208.db2.gz WFLJXTROJAKKNA-NHCYSSNCSA-N 2 0 220.316 1.780 20 0 BDADRP O[C@H](CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000902505848 584621284 /nfs/dbraw/zinc/62/12/84/584621284.db2.gz VMGRNIVAOALBCV-IGQOVBAYSA-N 2 0 238.375 1.125 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC[C@H](O)C2CC2)C12CCC2 ZINC000902504610 584621399 /nfs/dbraw/zinc/62/13/99/584621399.db2.gz OYNFGDSDQDMKJR-QJPTWQEYSA-N 2 0 224.348 1.007 20 0 BDADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000902488941 584627479 /nfs/dbraw/zinc/62/74/79/584627479.db2.gz OTGNKSWGZGCCFL-XGFWRYKXSA-N 3 0 237.391 1.234 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)[C@H]2CCC[C@H]21 ZINC000902488672 584627733 /nfs/dbraw/zinc/62/77/33/584627733.db2.gz ZOAFSPGCDKGIIC-XGFWRYKXSA-N 3 0 237.391 1.186 20 0 BDADRP C[C@H]([NH2+][C@@H](c1ccncc1)C1CC1)C1C[NH2+]C1 ZINC000902521685 584631301 /nfs/dbraw/zinc/63/13/01/584631301.db2.gz SQHAISOBHULSIB-IINYFYTJSA-N 2 0 231.343 1.730 20 0 BDADRP CC[N@@H+]1CCC[C@H]1CNC1CC[NH+](C)CC1 ZINC000019959653 584654868 /nfs/dbraw/zinc/65/48/68/584654868.db2.gz TZVQHGIYHKBLAT-ZDUSSCGKSA-N 2 0 225.380 1.155 20 0 BDADRP CN1CC[C@](O)(C[NH2+]C2C[C@H]3CCC[C@@H]3C2)C1 ZINC000902953232 584704515 /nfs/dbraw/zinc/70/45/15/584704515.db2.gz BIPQVDZOTIZXQU-BZPMIXESSA-N 2 0 238.375 1.221 20 0 BDADRP C[N@@H+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000903091107 584725738 /nfs/dbraw/zinc/72/57/38/584725738.db2.gz NHXWBDDBPQOSBA-IKKMQULASA-N 2 0 249.402 1.438 20 0 BDADRP CO[C@@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903158088 584731292 /nfs/dbraw/zinc/73/12/92/584731292.db2.gz QNKYWYSWFIDREN-CRMUJIHISA-N 2 0 238.375 1.769 20 0 BDADRP CN1CC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903224158 584738313 /nfs/dbraw/zinc/73/83/13/584738313.db2.gz QTWSGJPLOPDBCM-CHEQUFIKSA-N 2 0 249.402 1.438 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000903287376 584745860 /nfs/dbraw/zinc/74/58/60/584745860.db2.gz REBPNEUSOWESDG-BVYDJPLYSA-N 2 0 248.370 1.092 20 0 BDADRP CN1CC[C@@H]1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000903324042 584747382 /nfs/dbraw/zinc/74/73/82/584747382.db2.gz UDKWVXYFPSTWJA-CYBMUJFWSA-N 2 0 239.407 1.543 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000903431203 584761516 /nfs/dbraw/zinc/76/15/16/584761516.db2.gz IKAZRKOTIFACPA-UPJWGTAASA-N 2 0 238.375 1.343 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CCCCN1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903422092 584763488 /nfs/dbraw/zinc/76/34/88/584763488.db2.gz VWWMURGMUOZBDK-FVCCEPFGSA-N 2 0 225.380 1.044 20 0 BDADRP CC(C)[C@@H]([NH3+])CCN(C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903425025 584765120 /nfs/dbraw/zinc/76/51/20/584765120.db2.gz PAIZDMXHNMNOGC-AGIUHOORSA-N 2 0 227.396 1.147 20 0 BDADRP C[C@@H]1C[C@@H](C)N(C[C@H]2CCC[NH2+]2)C[C@H]1C[NH3+] ZINC000903459585 584766108 /nfs/dbraw/zinc/76/61/08/584766108.db2.gz LREFBHYGGPBBCC-FDYHWXHSSA-N 2 0 225.380 1.044 20 0 BDADRP c1cc(CCN2CCC3(CC[NH2+]3)CC2)sn1 ZINC000903459860 584766382 /nfs/dbraw/zinc/76/63/82/584766382.db2.gz OZNTVNBIXAMRHC-UHFFFAOYSA-N 2 0 237.372 1.514 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000903444730 584769293 /nfs/dbraw/zinc/76/92/93/584769293.db2.gz VMXGHARJWKZLER-YIYPIFLZSA-N 2 0 239.407 1.256 20 0 BDADRP CCCN(C[C@@H]1C[NH2+]C[C@H]1C)C1CC[NH2+]CC1 ZINC000903445924 584769804 /nfs/dbraw/zinc/76/98/04/584769804.db2.gz ODDSDIGNUXLJHV-OLZOCXBDSA-N 2 0 239.407 1.306 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000903447273 584770810 /nfs/dbraw/zinc/77/08/10/584770810.db2.gz MERICQXYBQHYQM-PDWCTOEPSA-N 3 0 237.391 1.173 20 0 BDADRP [NH3+]CC[C@H]1CCCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903451708 584771901 /nfs/dbraw/zinc/77/19/01/584771901.db2.gz CPGIRDBITYMORD-FRRDWIJNSA-N 3 0 225.380 1.317 20 0 BDADRP OC[C@@H]1CCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000903453811 584772578 /nfs/dbraw/zinc/77/25/78/584772578.db2.gz MPDYGIKQGWNSCH-ZDUSSCGKSA-N 2 0 226.364 1.223 20 0 BDADRP C(C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)OC1CC1 ZINC000903453989 584772628 /nfs/dbraw/zinc/77/26/28/584772628.db2.gz QTEUSEYRRLFQQM-OLZOCXBDSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN1CCCC[C@@H]1CC[NH3+] ZINC000903452852 584772630 /nfs/dbraw/zinc/77/26/30/584772630.db2.gz STAWORLLMGOBJU-FRRDWIJNSA-N 2 0 225.380 1.045 20 0 BDADRP C([C@H]1CCC[NH2+]1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000903453920 584772876 /nfs/dbraw/zinc/77/28/76/584772876.db2.gz PLBYSFZHUFRPEF-HZSPNIEDSA-N 2 0 237.391 1.060 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@@H](c3ccccn3)C2)C1 ZINC000903454584 584773373 /nfs/dbraw/zinc/77/33/73/584773373.db2.gz CYPSNJQWLDYQTD-BFHYXJOUSA-N 2 0 245.370 1.998 20 0 BDADRP C[N@H+](CCc1cnccn1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903457104 584774109 /nfs/dbraw/zinc/77/41/09/584774109.db2.gz NPHRLJVMCPOOBH-NEPJUHHUSA-N 2 0 234.347 1.078 20 0 BDADRP COC(=O)CCCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903471319 584775426 /nfs/dbraw/zinc/77/54/26/584775426.db2.gz IMGJSTMTJYTXMY-NSHDSACASA-N 2 0 240.347 1.204 20 0 BDADRP C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903472931 584775956 /nfs/dbraw/zinc/77/59/56/584775956.db2.gz XDWTWHUTAWVCLC-SRVKXCTJSA-N 2 0 224.348 1.286 20 0 BDADRP COCCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903481861 584778162 /nfs/dbraw/zinc/77/81/62/584778162.db2.gz OOOACIQVDBLPSB-NSHDSACASA-N 2 0 212.337 1.287 20 0 BDADRP COC[C@H](C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C)C(C)C ZINC000903482589 584779121 /nfs/dbraw/zinc/77/91/21/584779121.db2.gz LVQKGBYORNJOGJ-SRVKXCTJSA-N 2 0 228.380 1.620 20 0 BDADRP CCOCCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903483247 584779496 /nfs/dbraw/zinc/77/94/96/584779496.db2.gz GJCHTIKOCQJXNK-LBPRGKRZSA-N 2 0 226.364 1.677 20 0 BDADRP C([NH2+][C@H]1CC[NH2+]C12CCCC2)[C@H]1CCOC1 ZINC000903484450 584779653 /nfs/dbraw/zinc/77/96/53/584779653.db2.gz RMTCLUSGTWBVPM-NEPJUHHUSA-N 2 0 224.348 1.287 20 0 BDADRP CO[C@@H](C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1)C1CCC1 ZINC000903498564 584780029 /nfs/dbraw/zinc/78/00/29/584780029.db2.gz KRXSYKBMOLRLJL-BNOWGMLFSA-N 2 0 240.391 1.718 20 0 BDADRP C[NH2+]CCN(CC[C@@H]1CCC[NH2+]C1)C(C)C ZINC000903572992 584783783 /nfs/dbraw/zinc/78/37/83/584783783.db2.gz KWJRYUZBBYTLIC-ZDUSSCGKSA-N 2 0 227.396 1.306 20 0 BDADRP C[C@@H]1CCCN(C[C@H]2CCCC[NH2+]C2)[C@H]1C[NH3+] ZINC000903716685 584791761 /nfs/dbraw/zinc/79/17/61/584791761.db2.gz BRZQTGOSVQCACN-RDBSUJKOSA-N 2 0 239.407 1.435 20 0 BDADRP C[NH2+]C[C@@H]1CCCN1C[C@H]1CCCC[NH2+]C1 ZINC000903716677 584791782 /nfs/dbraw/zinc/79/17/82/584791782.db2.gz BQZZEALRYMTPHD-STQMWFEESA-N 2 0 225.380 1.060 20 0 BDADRP CCCN(C[C@H]1CCCC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000903717098 584792124 /nfs/dbraw/zinc/79/21/24/584792124.db2.gz ZQWMENQNNFFMQE-KBPBESRZSA-N 2 0 239.407 1.450 20 0 BDADRP C[N@H+](C[C@@H]1CCCC[NH2+]C1)C1CCC([NH3+])CC1 ZINC000903717397 584792412 /nfs/dbraw/zinc/79/24/12/584792412.db2.gz QGHPRGYXDAQRPV-IYXRBSQSSA-N 3 0 239.407 1.578 20 0 BDADRP C[C@@](C[NH3+])(NC[C@H]1CCCC[NH2+]C1)C1CC1 ZINC000903717291 584792441 /nfs/dbraw/zinc/79/24/41/584792441.db2.gz MPCSUVIZFFUPQA-AAEUAGOBSA-N 2 0 225.380 1.093 20 0 BDADRP C[NH2+]C1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903716881 584792488 /nfs/dbraw/zinc/79/24/88/584792488.db2.gz VPACVBAWAVISAS-GFCCVEGCSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903732306 584792902 /nfs/dbraw/zinc/79/29/02/584792902.db2.gz FGMQOYPNYKOWLZ-RFGFWPKPSA-N 2 0 238.375 1.485 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903732308 584792928 /nfs/dbraw/zinc/79/29/28/584792928.db2.gz FGMQOYPNYKOWLZ-XJFOESAGSA-N 2 0 238.375 1.485 20 0 BDADRP CN(C[C@H]1CCCC[NH2+]C1)C1CC[NH2+]CC1 ZINC000903713560 584793518 /nfs/dbraw/zinc/79/35/18/584793518.db2.gz VRIAAMLOHQNWNP-LBPRGKRZSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@@H]1CN(C[C@H]2CCCC[NH2+]C2)CC[C@H]1[NH3+] ZINC000903715816 584793963 /nfs/dbraw/zinc/79/39/63/584793963.db2.gz AHDHOWXHVMLKHT-FRRDWIJNSA-N 2 0 225.380 1.045 20 0 BDADRP C[NH2+][C@H]1CCCN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000903715883 584793979 /nfs/dbraw/zinc/79/39/79/584793979.db2.gz BDUUHJBVQLLQFT-STQMWFEESA-N 2 0 225.380 1.060 20 0 BDADRP OCC[C@@H]1CCCC[N@@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903768681 584798082 /nfs/dbraw/zinc/79/80/82/584798082.db2.gz PABONHHAMZYOOX-KBPBESRZSA-N 2 0 240.391 1.613 20 0 BDADRP CC1(C)C[C@@H](O)C[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903778024 584799867 /nfs/dbraw/zinc/79/98/67/584799867.db2.gz IUGZKINHEJKNOG-CHWSQXEVSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@H](O)C[N@@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903810327 584803621 /nfs/dbraw/zinc/80/36/21/584803621.db2.gz BAJHZAIDODHXOU-NWDGAFQWSA-N 2 0 226.364 1.351 20 0 BDADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CC=CC1)C2 ZINC000903842990 584807741 /nfs/dbraw/zinc/80/77/41/584807741.db2.gz ZYJVMTOJSYOEAQ-AVGNSLFASA-N 2 0 206.333 1.764 20 0 BDADRP NC[C@@]12CC[C@@H]1CC[N@@H+]2CCC1CC[NH2+]CC1 ZINC000903854127 584809052 /nfs/dbraw/zinc/80/90/52/584809052.db2.gz IDILPSJETCNEKE-KGLIPLIRSA-N 2 0 237.391 1.189 20 0 BDADRP CCc1noc(C)c1CN1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903855574 584809159 /nfs/dbraw/zinc/80/91/59/584809159.db2.gz NNMIWDFXJMHUAK-BXUZGUMPSA-N 2 0 249.358 1.859 20 0 BDADRP C([C@@H]1C[C@@]12CCOC2)[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903869632 584814356 /nfs/dbraw/zinc/81/43/56/584814356.db2.gz JCNCLTASDPIAGA-BFHYXJOUSA-N 2 0 236.359 1.241 20 0 BDADRP CC[NH2+]CC1CCN(C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903874352 584815967 /nfs/dbraw/zinc/81/59/67/584815967.db2.gz YMCMABJFFLBGOH-NSHDSACASA-N 2 0 249.349 1.290 20 0 BDADRP C[C@@H]([NH3+])C1CCN(C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903874135 584815973 /nfs/dbraw/zinc/81/59/73/584815973.db2.gz SWCWLPMVQPYXND-SCZZXKLOSA-N 2 0 235.322 1.028 20 0 BDADRP [NH3+][C@H](CC(F)F)CN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000903873869 584816230 /nfs/dbraw/zinc/81/62/30/584816230.db2.gz MYVSNDHQUDZAFF-LNFKQOIKSA-N 2 0 247.333 1.028 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCCN(C[C@H]([NH3+])CC(F)F)C1 ZINC000903874037 584816240 /nfs/dbraw/zinc/81/62/40/584816240.db2.gz QXNIQDSYXIHCNK-LPEHRKFASA-N 2 0 235.322 1.028 20 0 BDADRP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000903895919 584819631 /nfs/dbraw/zinc/81/96/31/584819631.db2.gz RYSUMPAEULVMDR-SCXOTVEISA-N 2 0 249.402 1.201 20 0 BDADRP CCC[C@@](C)(CO)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903898912 584820206 /nfs/dbraw/zinc/82/02/06/584820206.db2.gz PFRFTCNCDJNXNY-GSPSYOTPSA-N 2 0 240.391 1.658 20 0 BDADRP CC[N@@H+]1C[C@H](C)N(C[C@H]([NH3+])CC(F)F)C[C@@H]1C ZINC000903909987 584822049 /nfs/dbraw/zinc/82/20/49/584822049.db2.gz ZCDFNKQKWSMOEY-GARJFASQSA-N 2 0 249.349 1.383 20 0 BDADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903919325 584823155 /nfs/dbraw/zinc/82/31/55/584823155.db2.gz MCJUBLHRIKDDNC-IUKMKKQMSA-N 3 0 237.391 1.234 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC000903920408 584823227 /nfs/dbraw/zinc/82/32/27/584823227.db2.gz UPWIWZKKMSGTJM-RFLLOBDJSA-N 3 0 237.391 1.247 20 0 BDADRP c1nnn([C@H]2CCC[NH2+]C2)c1C[NH2+]CCC1CC1 ZINC000903923515 584823508 /nfs/dbraw/zinc/82/35/08/584823508.db2.gz WBQNYCJYFBUNIZ-LBPRGKRZSA-N 2 0 249.362 1.092 20 0 BDADRP CC(C)OCCC[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903926426 584824090 /nfs/dbraw/zinc/82/40/90/584824090.db2.gz SAFKQTNVYVXREI-AGUYFDCRSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]1C[C@H](C)N(C[C@@H]([NH3+])CC(F)F)C[C@@H]1C[NH3+] ZINC000903930130 584824211 /nfs/dbraw/zinc/82/42/11/584824211.db2.gz STDPFMXGBSEGPI-RCWTZXSCSA-N 2 0 249.349 1.274 20 0 BDADRP C[C@@H](C[NH2+]C[C@@H]([NH3+])CC(F)F)c1ccccn1 ZINC000903932375 584824830 /nfs/dbraw/zinc/82/48/30/584824830.db2.gz CECQDDOUUMHTDR-UWVGGRQHSA-N 2 0 243.301 1.757 20 0 BDADRP CC(C)([NH3+])CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000903939319 584825055 /nfs/dbraw/zinc/82/50/55/584825055.db2.gz FXMYSQRDVIPFCA-GRYCIOLGSA-N 3 0 225.380 1.092 20 0 BDADRP C[C@@H](C[NH2+]C[C@H]([NH3+])CC(F)F)c1ccccn1 ZINC000903932376 584825186 /nfs/dbraw/zinc/82/51/86/584825186.db2.gz CECQDDOUUMHTDR-VHSXEESVSA-N 2 0 243.301 1.757 20 0 BDADRP Cc1c(C[C@H](C[NH3+])C[NH2+][C@@H]2C=CCC2)cnn1C ZINC000903933318 584825315 /nfs/dbraw/zinc/82/53/15/584825315.db2.gz OVBURYZDIWQIQE-TZMCWYRMSA-N 2 0 248.374 1.154 20 0 BDADRP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000903917510 584826771 /nfs/dbraw/zinc/82/67/71/584826771.db2.gz MRRUIEKDENGWHE-DKUMPPAJSA-N 2 0 249.402 1.202 20 0 BDADRP CC(C)[C@H]([NH3+])C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903916516 584826845 /nfs/dbraw/zinc/82/68/45/584826845.db2.gz HFKSWPGUANWRFN-PSEXLTFBSA-N 3 0 225.380 1.090 20 0 BDADRP CCC1([NH3+])CCN([C@@H](C)C[C@H]2CCC[NH2+]2)CC1 ZINC000903947635 584829403 /nfs/dbraw/zinc/82/94/03/584829403.db2.gz CYGQDKSERKFCNV-QWHCGFSZSA-N 2 0 239.407 1.720 20 0 BDADRP FC1(F)CC[NH2+]C[C@H]1C[NH2+]CC[C@H]1CCOC1 ZINC000903956183 584831866 /nfs/dbraw/zinc/83/18/66/584831866.db2.gz ILECAQPUNWVRAE-WDEREUQCSA-N 2 0 248.317 1.247 20 0 BDADRP CC(C)[C@H](C[NH3+])C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903978418 584832888 /nfs/dbraw/zinc/83/28/88/584832888.db2.gz FAYQMWZIYFQIMJ-JHJVBQTASA-N 3 0 227.396 1.053 20 0 BDADRP CC(C)[C@@H](C[NH3+])C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903978402 584833099 /nfs/dbraw/zinc/83/30/99/584833099.db2.gz OGOBUOOIFPKTRP-UPJWGTAASA-N 3 0 227.396 1.134 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cocn1 ZINC000903978689 584833211 /nfs/dbraw/zinc/83/32/11/584833211.db2.gz KQEPQUWTWDLCLC-NXEZZACHSA-N 2 0 209.293 1.010 20 0 BDADRP COc1cccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903964563 584833999 /nfs/dbraw/zinc/83/39/99/584833999.db2.gz LETBKVINBIAXIF-YPMHNXCESA-N 2 0 234.343 1.640 20 0 BDADRP C[C@@H]1CN(Cc2ccc(C[NH3+])cc2)C[C@H](C)[NH2+]1 ZINC000904299386 584860052 /nfs/dbraw/zinc/86/00/52/584860052.db2.gz CDHIFPKIMQQXAO-TXEJJXNPSA-N 2 0 233.359 1.328 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CN1CC[NH2+]CC1 ZINC000904297667 584860199 /nfs/dbraw/zinc/86/01/99/584860199.db2.gz NOSGBZJTZKFMSA-LLVKDONJSA-N 2 0 213.369 1.045 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC000904299707 584860848 /nfs/dbraw/zinc/86/08/48/584860848.db2.gz MDDHFADAUOGDAY-SWLSCSKDSA-N 3 0 247.386 1.705 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC000904300000 584860864 /nfs/dbraw/zinc/86/08/64/584860864.db2.gz TXIIRXPRMAQROP-GFCCVEGCSA-N 2 0 227.396 1.563 20 0 BDADRP C[NH2+]C[C@H]1CCCN1C[C@@]1(C)CCC[NH2+]C1 ZINC000904301498 584861404 /nfs/dbraw/zinc/86/14/04/584861404.db2.gz MIANKRTYFDTGDB-OLZOCXBDSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@@]1(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCC[NH2+]C1 ZINC000904301150 584861423 /nfs/dbraw/zinc/86/14/23/584861423.db2.gz HUCGCOIYUQYJTP-HZSPNIEDSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCN(C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904300830 584861462 /nfs/dbraw/zinc/86/14/62/584861462.db2.gz BURZKLFXYDKOCF-YNEHKIRRSA-N 2 0 225.380 1.045 20 0 BDADRP C[C@@]1(C[N@@H+]2CCC[C@@H](CO)C2)CCC[NH2+]C1 ZINC000904301552 584861636 /nfs/dbraw/zinc/86/16/36/584861636.db2.gz NRRORSCUCNEWEZ-CHWSQXEVSA-N 2 0 226.364 1.080 20 0 BDADRP CC[NH2+]CC1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904301760 584861727 /nfs/dbraw/zinc/86/17/27/584861727.db2.gz QLQGXWDTCYLSKM-BETUJISGSA-N 3 0 225.380 1.045 20 0 BDADRP CC[C@H]1C[N@H+](Cc2ccc(C[NH3+])cc2)CC[C@@H]1[NH3+] ZINC000904302054 584861823 /nfs/dbraw/zinc/86/18/23/584861823.db2.gz UKGMLMLWAAYOAT-GJZGRUSLSA-N 2 0 247.386 1.705 20 0 BDADRP C[C@@H]1[C@H](C)[NH2+]CCN1Cc1ccc(C[NH3+])cc1 ZINC000904301719 584862326 /nfs/dbraw/zinc/86/23/26/584862326.db2.gz PQJKWSVTMGWJMI-NWDGAFQWSA-N 2 0 233.359 1.328 20 0 BDADRP CC[N@H+](C[C@H]1CCOC1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904310017 584862581 /nfs/dbraw/zinc/86/25/81/584862581.db2.gz UVZBZHNELGPPLF-KGLIPLIRSA-N 2 0 240.391 1.735 20 0 BDADRP Cc1cc(C[N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)no1 ZINC000904310249 584862631 /nfs/dbraw/zinc/86/26/31/584862631.db2.gz YJSZCKKRXLXTTR-AOOOYVTPSA-N 2 0 209.293 1.152 20 0 BDADRP CC(C)(C)C[N@H+](CCCO)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904317941 584863919 /nfs/dbraw/zinc/86/39/19/584863919.db2.gz KHPUGECDSJNUCO-TXEJJXNPSA-N 2 0 228.380 1.454 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCc3c(F)cccc3C2)C1 ZINC000904318707 584863979 /nfs/dbraw/zinc/86/39/79/584863979.db2.gz TZGISFXSCUZCIV-KLPPZKSPSA-N 2 0 234.318 1.921 20 0 BDADRP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)CCN1C ZINC000904323287 584864532 /nfs/dbraw/zinc/86/45/32/584864532.db2.gz NSQXFFVFGXJFPR-FVCCEPFGSA-N 2 0 225.380 1.138 20 0 BDADRP C[C@H](O)C[C@@H]1CCC[N@@H+]1C[C@]1(C)CCC[NH2+]C1 ZINC000904321942 584864699 /nfs/dbraw/zinc/86/46/99/584864699.db2.gz KXNCWNHRFDHVNY-MELADBBJSA-N 2 0 240.391 1.611 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@]2(CO)CCc3ccccc32)C1 ZINC000904329465 584865870 /nfs/dbraw/zinc/86/58/70/584865870.db2.gz NWMINUYBWWHBRY-LNSITVRQSA-N 2 0 246.354 1.147 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CN1CC[C@@](C)(C[NH3+])C1 ZINC000904334556 584866540 /nfs/dbraw/zinc/86/65/40/584866540.db2.gz ZBBQSWMXPOUMSF-JSGCOSHPSA-N 2 0 241.423 1.811 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@]2(C)CCC[NH2+]C2)CC[C@@H]1O ZINC000904341479 584867500 /nfs/dbraw/zinc/86/75/00/584867500.db2.gz RWKLUHKDQLUERY-AGIUHOORSA-N 2 0 226.364 1.079 20 0 BDADRP COc1ccc(NC[C@H]2C[C@@H]([NH3+])C2)cc1N ZINC000904353192 584869861 /nfs/dbraw/zinc/86/98/61/584869861.db2.gz IDWWHVILNNMVNM-DTORHVGOSA-N 2 0 221.304 1.427 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000904353593 584870436 /nfs/dbraw/zinc/87/04/36/584870436.db2.gz OFPKNLNJYLVEDQ-STQMWFEESA-N 3 0 241.423 1.729 20 0 BDADRP C[C@@]1(CNC[C@]2(C)CCC[NH2+]C2)CCC[NH2+]C1 ZINC000904355172 584870676 /nfs/dbraw/zinc/87/06/76/584870676.db2.gz LFULMUGOMSTYBL-ZIAGYGMSSA-N 2 0 239.407 1.355 20 0 BDADRP [NH3+]CC1CC([NH2+]Cc2ccc3c(c2)CCCN3)C1 ZINC000904356035 584871166 /nfs/dbraw/zinc/87/11/66/584871166.db2.gz ZZOBUYJFUHVRKU-UHFFFAOYSA-N 2 0 245.370 1.872 20 0 BDADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904355474 584871246 /nfs/dbraw/zinc/87/12/46/584871246.db2.gz ODQFXRSJFKURAQ-FZMZJTMJSA-N 3 0 233.359 1.233 20 0 BDADRP CCOc1ccccc1CC[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904362235 584872159 /nfs/dbraw/zinc/87/21/59/584872159.db2.gz JURYUVZKZWGZBU-XBXGTLAGSA-N 2 0 248.370 1.955 20 0 BDADRP C[C@@H](COCC(F)(F)F)[NH2+]C1CC(C[NH3+])C1 ZINC000904362052 584872183 /nfs/dbraw/zinc/87/21/83/584872183.db2.gz GSVRPOUGORDEHQ-UEJVZZJDSA-N 2 0 240.269 1.281 20 0 BDADRP CN(C)[C@@H](C[NH2+]C1CC(C[NH3+])C1)c1ccccc1 ZINC000904367589 584872849 /nfs/dbraw/zinc/87/28/49/584872849.db2.gz FRLZITPMVBFWJM-ZALBZXLWSA-N 2 0 247.386 1.616 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+]CC2CCC(F)CC2)C1 ZINC000904373104 584873704 /nfs/dbraw/zinc/87/37/04/584873704.db2.gz AXOOGOJEXRLPMG-NGMURSQQSA-N 2 0 214.328 1.842 20 0 BDADRP CC(C)OCC(C)(C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904374046 584874054 /nfs/dbraw/zinc/87/40/54/584874054.db2.gz YYNJNWZOHICFJT-PHIMTYICSA-N 2 0 214.353 1.517 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+]CCc2cccs2)C1 ZINC000904364222 584874455 /nfs/dbraw/zinc/87/44/55/584874455.db2.gz IVZSFHXIFZYANZ-AOOOYVTPSA-N 2 0 210.346 1.618 20 0 BDADRP [NH3+]Cc1ccc(CNCC2([NH3+])CCCC2)cc1 ZINC000904377179 584876361 /nfs/dbraw/zinc/87/63/61/584876361.db2.gz KLZPEHTUYOZEHG-UHFFFAOYSA-N 2 0 233.359 1.506 20 0 BDADRP C[C@@]12COC[C@H]1C[N@H+](C[C@@]1(C)CCC[NH2+]C1)C2 ZINC000904379811 584876592 /nfs/dbraw/zinc/87/65/92/584876592.db2.gz XWFZFFVFOUWFGU-HZSPNIEDSA-N 2 0 238.375 1.344 20 0 BDADRP C[C@@H]1CC[C@H](NC[C@@]2(C)CCC[NH2+]C2)C[NH2+]1 ZINC000904380814 584876852 /nfs/dbraw/zinc/87/68/52/584876852.db2.gz HMOFUHBBNGJHQQ-AGIUHOORSA-N 2 0 225.380 1.106 20 0 BDADRP C[C@H]([NH2+]Cc1nccn1C1CC1)C1CC[NH2+]CC1 ZINC000904383995 584877291 /nfs/dbraw/zinc/87/72/91/584877291.db2.gz GEQQKFGRKUPOKU-NSHDSACASA-N 2 0 248.374 1.696 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C[C@@H]1CO ZINC000904381587 584877429 /nfs/dbraw/zinc/87/74/29/584877429.db2.gz ZERDAMOKVKWUSE-MCIONIFRSA-N 2 0 240.391 1.326 20 0 BDADRP [NH3+]CC1CC([NH2+][C@@H]2CCCn3nccc32)C1 ZINC000904384840 584877473 /nfs/dbraw/zinc/87/74/73/584877473.db2.gz NOZLIIFIYGWMLP-VQXHTEKXSA-N 2 0 220.320 1.045 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CN1C[C@@H]2COC[C@@H]2C1 ZINC000904385324 584877936 /nfs/dbraw/zinc/87/79/36/584877936.db2.gz VPTVVMZASHHUIS-XQQFMLRXSA-N 2 0 240.391 1.718 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCCC[C@@H]2F)C1 ZINC000904385180 584877958 /nfs/dbraw/zinc/87/79/58/584877958.db2.gz UPSQUIFVBZGRQA-ZRUFSTJUSA-N 2 0 200.301 1.594 20 0 BDADRP C[C@H]1C[N@H+](CC2(F)CC2)CC[C@H]1C[NH3+] ZINC000904409744 584879073 /nfs/dbraw/zinc/87/90/73/584879073.db2.gz HMDWKTTZKSMIMH-UWVGGRQHSA-N 2 0 200.301 1.405 20 0 BDADRP Cc1nn(C)cc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000904412178 584879550 /nfs/dbraw/zinc/87/95/50/584879550.db2.gz RUTMRIOKRARMCU-JQWIXIFHSA-N 2 0 236.363 1.145 20 0 BDADRP CC[C@H]1C[C@H](C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)CCO1 ZINC000904417423 584881562 /nfs/dbraw/zinc/88/15/62/584881562.db2.gz BOSXQUGZEJGJKO-SYQHCUMBSA-N 2 0 240.391 1.718 20 0 BDADRP C[C@@H](CO)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000815144943 584972876 /nfs/dbraw/zinc/97/28/76/584972876.db2.gz SMEFJXKFHXDXSE-OLZOCXBDSA-N 2 0 226.364 1.033 20 0 BDADRP C[N@H+](C[C@@H]1CCOC1)CC1CC[NH+](C)CC1 ZINC000738312911 585042787 /nfs/dbraw/zinc/04/27/87/585042787.db2.gz ZCDQJVQTCVGFLC-ZDUSSCGKSA-N 2 0 226.364 1.297 20 0 BDADRP CC(C)[NH+]1CCC(N(C)CC2OCCO2)CC1 ZINC000741157504 585110496 /nfs/dbraw/zinc/11/04/96/585110496.db2.gz WAAUOMCRTFVOMX-UHFFFAOYSA-N 2 0 242.363 1.164 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@@]12CCOC2 ZINC000886830505 585180742 /nfs/dbraw/zinc/18/07/42/585180742.db2.gz RSBXBIAZUVOMSC-RWMBFGLXSA-N 2 0 224.348 1.097 20 0 BDADRP C[NH2+][C@@H]1CCCN(C[C@@H]2C[C@]23CCOC3)C1 ZINC000886827002 585180746 /nfs/dbraw/zinc/18/07/46/585180746.db2.gz BLFDMQATCXPKAD-XQQFMLRXSA-N 2 0 224.348 1.097 20 0 BDADRP FCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000759340105 585368416 /nfs/dbraw/zinc/36/84/16/585368416.db2.gz PYEIVQLEYNSNAL-UHFFFAOYSA-N 2 0 214.328 1.764 20 0 BDADRP CC[N@H+](C)C[C@H]1CCN(CC[NH+]2CCCC2)C1 ZINC000760841857 585398657 /nfs/dbraw/zinc/39/86/57/585398657.db2.gz ADMPFLLDHLFOGR-CQSZACIVSA-N 2 0 239.407 1.356 20 0 BDADRP Cc1nccn1CCC[NH2+][C@@H](CCO)C1CC1 ZINC000763069127 585442810 /nfs/dbraw/zinc/44/28/10/585442810.db2.gz SEGQLNYOXTWANY-ZDUSSCGKSA-N 2 0 237.347 1.332 20 0 BDADRP C[N@@H+]1CCCC[C@H]1CC[NH2+][C@H](CCO)C1CC1 ZINC000771799069 585600475 /nfs/dbraw/zinc/60/04/75/585600475.db2.gz JEWRGIVRSVOHTM-UONOGXRCSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@@H](CCO)[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000779342027 585751868 /nfs/dbraw/zinc/75/18/68/585751868.db2.gz QBSWFSFSVLHYCF-MJBXVCDLSA-N 2 0 242.407 1.715 20 0 BDADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)CCO)C1 ZINC000779346095 585752183 /nfs/dbraw/zinc/75/21/83/585752183.db2.gz UHNSWFLGDFINJL-STQMWFEESA-N 2 0 228.380 1.467 20 0 BDADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cc[nH]c(=O)c1 ZINC000788694063 585929115 /nfs/dbraw/zinc/92/91/15/585929115.db2.gz UQGPNPKQGPRXBG-NSHDSACASA-N 2 0 247.342 1.700 20 0 BDADRP Cc1cc([C@@H](C)[NH2+]CCCC[NH+](C)C)n(C)n1 ZINC000793530872 586021847 /nfs/dbraw/zinc/02/18/47/586021847.db2.gz YWZHLCVOBLQIKF-GFCCVEGCSA-N 2 0 238.379 1.721 20 0 BDADRP C[C@@H]1CC[C@@H](C)C1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000794605228 586045582 /nfs/dbraw/zinc/04/55/82/586045582.db2.gz RPWQJCXWGYPYDI-JHJVBQTASA-N 2 0 240.391 1.467 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CSCCS1 ZINC000817898553 586831434 /nfs/dbraw/zinc/83/14/34/586831434.db2.gz ISNKCBAHHVABKB-AEJSXWLSSA-N 2 0 232.418 1.304 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000817888751 586831950 /nfs/dbraw/zinc/83/19/50/586831950.db2.gz KCSRDXFTTFHNJD-CWSCBRNRSA-N 2 0 240.322 1.575 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1COc2ccccc2C1 ZINC000817892645 586833177 /nfs/dbraw/zinc/83/31/77/586833177.db2.gz VWFSFBNPLMNDDX-AVGNSLFASA-N 2 0 248.370 1.953 20 0 BDADRP CSCC[C@H](C)[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000817894116 586833985 /nfs/dbraw/zinc/83/39/85/586833985.db2.gz BRHJXSWVENREKN-LPEHRKFASA-N 2 0 204.383 1.843 20 0 BDADRP c1ccc(NCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000817901421 586835973 /nfs/dbraw/zinc/83/59/73/586835973.db2.gz VGWXHBVBUGCKKA-YIONKMFJSA-N 2 0 245.370 1.971 20 0 BDADRP C[C@H](CN[C@H](C)[C@@H]1CCC[NH2+]1)[NH+]1CCCCC1 ZINC000817913185 586838155 /nfs/dbraw/zinc/83/81/55/586838155.db2.gz HHVFZHVXUMJGRW-MCIONIFRSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@H](CN[C@H](C)[C@H]1CCC[NH2+]1)[NH+]1CCCCC1 ZINC000817913186 586838464 /nfs/dbraw/zinc/83/84/64/586838464.db2.gz HHVFZHVXUMJGRW-MGPQQGTHSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H](CCO)C1CC1 ZINC000817918680 586840365 /nfs/dbraw/zinc/84/03/65/586840365.db2.gz MONIXOSCGKDAFT-ZYHUDNBSSA-N 2 0 214.353 1.255 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(F)n1 ZINC000817916903 586840825 /nfs/dbraw/zinc/84/08/25/586840825.db2.gz JPTOPFFAILMAMX-ZYHUDNBSSA-N 2 0 237.322 1.828 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCC=CO1 ZINC000817924872 586840933 /nfs/dbraw/zinc/84/09/33/586840933.db2.gz ZPQOUIAKIIOGDZ-UPJWGTAASA-N 2 0 224.348 1.657 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccnc1F ZINC000817926843 586841111 /nfs/dbraw/zinc/84/11/11/586841111.db2.gz AUKKLDYREVSMEA-JQWIXIFHSA-N 2 0 237.322 1.828 20 0 BDADRP [NH3+]CC1CCC([NH2+]C[C@@H]2CCC=CO2)CC1 ZINC000817924459 586841707 /nfs/dbraw/zinc/84/17/07/586841707.db2.gz RRJLGHJFHZPGAZ-BPCQOVAHSA-N 2 0 224.348 1.786 20 0 BDADRP C1CC1[C@@H]1CC[C@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000817928619 586842419 /nfs/dbraw/zinc/84/24/19/586842419.db2.gz ZEROTPHYRUURRK-FRRDWIJNSA-N 2 0 208.349 1.907 20 0 BDADRP C[C@H]1COCC[C@H]1[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817949133 586847419 /nfs/dbraw/zinc/84/74/19/586847419.db2.gz OFGXHIZOEWENAQ-SWLSCSKDSA-N 2 0 248.370 1.702 20 0 BDADRP CCOc1cccc([C@H](C)[NH2+]CC2C[NH2+]C2)c1 ZINC000817965754 586855153 /nfs/dbraw/zinc/85/51/53/586855153.db2.gz UWYYHYRMTJANQI-NSHDSACASA-N 2 0 234.343 1.955 20 0 BDADRP Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)n(C)n1 ZINC000817970157 586858224 /nfs/dbraw/zinc/85/82/24/586858224.db2.gz MTMLYCUIBBEXTR-SDDRHHMPSA-N 2 0 236.363 1.649 20 0 BDADRP C[C@H]([NH3+])C[NH2+][C@@H](C)CSC(C)(C)C ZINC000817971783 586859621 /nfs/dbraw/zinc/85/96/21/586859621.db2.gz PZQVZVXJONTRGC-IUCAKERBSA-N 2 0 204.383 1.843 20 0 BDADRP C1CC1[C@@H]1CC[C@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000817976770 586860149 /nfs/dbraw/zinc/86/01/49/586860149.db2.gz SXGZYGMOROEYJO-XQQFMLRXSA-N 2 0 220.360 1.907 20 0 BDADRP [NH3+]Cc1cccc(C(=O)N2CCCC[C@@H]2C[NH3+])c1 ZINC000818533011 586898357 /nfs/dbraw/zinc/89/83/57/586898357.db2.gz ZVWFOGSFNNWZKJ-CYBMUJFWSA-N 2 0 247.342 1.099 20 0 BDADRP C[C@](C[NH3+])(NC(=O)c1cccc(C[NH3+])c1)C1CC1 ZINC000818554556 586900015 /nfs/dbraw/zinc/90/00/15/586900015.db2.gz WKSYFRDTBWUNKH-CQSZACIVSA-N 2 0 247.342 1.003 20 0 BDADRP CC(C)(CCC[NH3+])NC(=O)c1cccc(C[NH3+])c1 ZINC000818602626 586904623 /nfs/dbraw/zinc/90/46/23/586904623.db2.gz OYYOBRPGSYGVCY-UHFFFAOYSA-N 2 0 249.358 1.393 20 0 BDADRP C[C@H]([NH2+]C[C@H](O)C1CC1)C(C)(C)C[NH+](C)C ZINC000819101544 586930879 /nfs/dbraw/zinc/93/08/79/586930879.db2.gz AOZISKVYDCKXEX-JQWIXIFHSA-N 2 0 228.380 1.323 20 0 BDADRP C[C@H](O)C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000820803373 587072632 /nfs/dbraw/zinc/07/26/32/587072632.db2.gz OBIUWAFBAOGTAC-RYUDHWBXSA-N 2 0 236.359 1.780 20 0 BDADRP CN(C)c1cc(NC(=O)Cc2ncc[nH]2)ccn1 ZINC000829644862 587507552 /nfs/dbraw/zinc/50/75/52/587507552.db2.gz YYIUOOWNJMHQPK-UHFFFAOYSA-N 2 0 245.286 1.052 20 0 BDADRP C[C@H]([NH3+])C1CCN(C(=O)CCCCC[NH3+])CC1 ZINC000832591740 587668226 /nfs/dbraw/zinc/66/82/26/587668226.db2.gz JMDZXFLMUWZFDF-NSHDSACASA-N 2 0 241.379 1.091 20 0 BDADRP CN(CC[NH2+]C[C@@H](O)C1CC1)Cc1ccccc1 ZINC000840746437 587919480 /nfs/dbraw/zinc/91/94/80/587919480.db2.gz DHXHKDQRJWPUFY-OAHLLOKOSA-N 2 0 248.370 1.479 20 0 BDADRP COC(=O)CC(C)(C)[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000841009847 587935069 /nfs/dbraw/zinc/93/50/69/587935069.db2.gz IBIQWKLNBAQGJU-WDEREUQCSA-N 2 0 242.363 1.306 20 0 BDADRP CC[C@@](C)(CC(=O)OC)[NH2+]C[C@@H]([NH3+])CC(C)C ZINC000841011837 587935636 /nfs/dbraw/zinc/93/56/36/587935636.db2.gz OTLYVKLEBGJUPP-AAEUAGOBSA-N 2 0 244.379 1.681 20 0 BDADRP C1[NH2+]C[C@@H]2[C@H]1[C@H]2[NH2+]C1CCCCCCC1 ZINC000841078957 587945016 /nfs/dbraw/zinc/94/50/16/587945016.db2.gz FTBOHGQGDADQJL-ITGUQSILSA-N 2 0 208.349 1.907 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)CCCCC[NH3+] ZINC000841848672 587978057 /nfs/dbraw/zinc/97/80/57/587978057.db2.gz WALXZGQWQRWGDZ-LLVKDONJSA-N 2 0 229.368 1.139 20 0 BDADRP CC[C@](C)(CC(=O)OC)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000842478925 588029782 /nfs/dbraw/zinc/02/97/82/588029782.db2.gz RFYMOZBDFOCAON-WCQYABFASA-N 2 0 242.363 1.307 20 0 BDADRP [NH3+]CCCCCCc1nc([C@@H]2CCC[NH2+]2)no1 ZINC000842642426 588048244 /nfs/dbraw/zinc/04/82/44/588048244.db2.gz DVAMUOZXCHVKIE-JTQLQIEISA-N 2 0 238.335 1.556 20 0 BDADRP C[N@H+](Cc1cnc(N)s1)C1CCC([NH3+])CC1 ZINC000843054922 588077998 /nfs/dbraw/zinc/07/79/98/588077998.db2.gz NRXGIXJLEBFWKG-UHFFFAOYSA-N 2 0 240.376 1.427 20 0 BDADRP C[N@H+](C[C@H]1CCC[NH2+]C1)C1CCC([NH3+])CC1 ZINC000843055915 588078048 /nfs/dbraw/zinc/07/80/48/588078048.db2.gz RYBHDTVYCJLTPX-HIFPTAJRSA-N 3 0 225.380 1.188 20 0 BDADRP CC[C@](C)(CC(=O)OC)[NH2+]CC1CC[NH2+]CC1 ZINC000843065482 588078364 /nfs/dbraw/zinc/07/83/64/588078364.db2.gz FYHYDCPWURJIJJ-CYBMUJFWSA-N 2 0 242.363 1.307 20 0 BDADRP [NH3+]CCOc1ccc(N[C@@H]2CCC[NH2+]C2)cc1 ZINC000843126686 588084403 /nfs/dbraw/zinc/08/44/03/588084403.db2.gz UGRRVBPRUWPWRY-GFCCVEGCSA-N 2 0 235.331 1.188 20 0 BDADRP Cn1nccc1C[NH2+]CCCCCC[NH3+] ZINC000843127833 588084894 /nfs/dbraw/zinc/08/48/94/588084894.db2.gz JBTUCOLRUFRBFI-UHFFFAOYSA-N 2 0 210.325 1.029 20 0 BDADRP C([NH2+][C@@H]1CC[NH2+]C12CCCC2)[C@H]1CCCOC1 ZINC000843128351 588084955 /nfs/dbraw/zinc/08/49/55/588084955.db2.gz KHNQHIIWBXQQQS-CHWSQXEVSA-N 2 0 238.375 1.677 20 0 BDADRP C[C@H]([NH2+]CCCCCC[NH3+])c1cnn(C)c1 ZINC000843343470 588101264 /nfs/dbraw/zinc/10/12/64/588101264.db2.gz UWXRBACSDCDXBU-NSHDSACASA-N 2 0 224.352 1.590 20 0 BDADRP C[C@@H]([NH2+]CCCCCC[NH3+])[C@H]1CCC[NH2+]1 ZINC000843343682 588101422 /nfs/dbraw/zinc/10/14/22/588101422.db2.gz CUAUAWJLSIMVAO-VXGBXAGGSA-N 3 0 213.369 1.236 20 0 BDADRP [NH3+]CCCCCC[NH2+][C@@H]1CCn2ccnc21 ZINC000843342943 588101573 /nfs/dbraw/zinc/10/15/73/588101573.db2.gz VPHJRESTVZNPPF-LLVKDONJSA-N 2 0 222.336 1.437 20 0 BDADRP C[C@@H]1CCC[N@H+](CCCCCCC[NH3+])[C@H]1CN ZINC000843350891 588102309 /nfs/dbraw/zinc/10/23/09/588102309.db2.gz ATHNCCSUPUYYTF-KGLIPLIRSA-N 2 0 241.423 1.955 20 0 BDADRP C[C@@](CN)([NH2+]CCCCCCC[NH3+])C1CC1 ZINC000843355834 588103237 /nfs/dbraw/zinc/10/32/37/588103237.db2.gz KFDMVYBYPNRCDE-ZDUSSCGKSA-N 2 0 227.396 1.613 20 0 BDADRP C[C@@H]1C[N@H+](CCCCCCC[NH3+])CC[C@@H]1[NH3+] ZINC000843354287 588103259 /nfs/dbraw/zinc/10/32/59/588103259.db2.gz XNYIWZODGKSEAZ-OLZOCXBDSA-N 3 0 227.396 1.565 20 0 BDADRP C[C@@H]1[C@H](C)NCC[N@@H+]1CCCCCCC[NH3+] ZINC000843377346 588105116 /nfs/dbraw/zinc/10/51/16/588105116.db2.gz OSXIPHSCSFIINF-QWHCGFSZSA-N 2 0 227.396 1.578 20 0 BDADRP C[N@H+](CCCCCCC[NH3+])[C@@H](CN)C1CC1 ZINC000843387032 588105531 /nfs/dbraw/zinc/10/55/31/588105531.db2.gz NZFRYIPXEHAIKU-ZDUSSCGKSA-N 2 0 227.396 1.565 20 0 BDADRP CC[NH2+]CC(=O)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000843491368 588115450 /nfs/dbraw/zinc/11/54/50/588115450.db2.gz RGQHALHNJPXCPK-UHFFFAOYSA-N 2 0 249.358 1.605 20 0 BDADRP [NH3+]CCCCCCNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000843506222 588117206 /nfs/dbraw/zinc/11/72/06/588117206.db2.gz QLWIRRGXJNNLEJ-ZDUSSCGKSA-N 2 0 249.358 1.322 20 0 BDADRP CC(C)[C@H](C(=O)NCCCCCC[NH3+])[C@@H](C)[NH3+] ZINC000843511989 588117709 /nfs/dbraw/zinc/11/77/09/588117709.db2.gz UDTRYXLXSUWNPT-NEPJUHHUSA-N 2 0 243.395 1.241 20 0 BDADRP C[C@@H](C[NH3+])N(C)C(=O)CCCC[NH+]1CCCC1 ZINC000844164216 588171476 /nfs/dbraw/zinc/17/14/76/588171476.db2.gz NFZYOHKUMFZPGJ-LBPRGKRZSA-N 2 0 241.379 1.058 20 0 BDADRP Cn1c(Cl)cnc1C[NH2+]CCC1(C[NH3+])CC1 ZINC000844903904 588219093 /nfs/dbraw/zinc/21/90/93/588219093.db2.gz RJENFYPDQGEPEB-UHFFFAOYSA-N 2 0 242.754 1.292 20 0 BDADRP Cl/C=C\C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000846219669 588260663 /nfs/dbraw/zinc/26/06/63/588260663.db2.gz FAIBVDXYDUNICG-KTAJNNJTSA-N 2 0 214.740 1.814 20 0 BDADRP C[N@H+](CCC[NH3+])[C@@H]1C[C@H]1c1ccccc1 ZINC000846222012 588261003 /nfs/dbraw/zinc/26/10/03/588261003.db2.gz KHCDUOHRJVKMOI-QWHCGFSZSA-N 2 0 204.317 1.823 20 0 BDADRP [NH3+]CCCCCC[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000846223680 588261675 /nfs/dbraw/zinc/26/16/75/588261675.db2.gz MBNUCCNQIVRSKI-VXGBXAGGSA-N 3 0 213.369 1.365 20 0 BDADRP CN1CCC(CCO)([NH2+]C2CCCC2)CC1 ZINC000848560072 588397618 /nfs/dbraw/zinc/39/76/18/588397618.db2.gz YDIYZCSRBUXLRC-UHFFFAOYSA-N 2 0 226.364 1.365 20 0 BDADRP [NH3+]CCOc1ccc(N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000848714500 588408071 /nfs/dbraw/zinc/40/80/71/588408071.db2.gz CMHQHVZPXHXOCR-AAEUAGOBSA-N 2 0 249.358 1.706 20 0 BDADRP CC[C@@H](C)NC(=[NH2+])NCC[NH+]1CCC(C)CC1 ZINC000848987610 588426303 /nfs/dbraw/zinc/42/63/03/588426303.db2.gz KUBXMOYHFWAKKW-GFCCVEGCSA-N 2 0 240.395 1.631 20 0 BDADRP CC[C@H](C)NC(=[NH2+])NCC[N@@H+]1CCC[C@H](C)C1 ZINC000848987498 588426453 /nfs/dbraw/zinc/42/64/53/588426453.db2.gz BHJNRVFAQDPHFV-RYUDHWBXSA-N 2 0 240.395 1.631 20 0 BDADRP CC(C)(C)[NH2+]CCCNC(=[NH2+])NCC1CCC1 ZINC000848994069 588428429 /nfs/dbraw/zinc/42/84/29/588428429.db2.gz MKTDVXFPNJDYLP-UHFFFAOYSA-N 2 0 240.395 1.679 20 0 BDADRP CC[C@@H](C)NC(=[NH2+])NC[C@H](C)[NH+]1CCCCC1 ZINC000848995657 588428507 /nfs/dbraw/zinc/42/85/07/588428507.db2.gz ZRMMQGJYJPYLAF-NEPJUHHUSA-N 2 0 240.395 1.773 20 0 BDADRP CCNC(=[NH2+])NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000848997225 588429716 /nfs/dbraw/zinc/42/97/16/588429716.db2.gz LVHJSCYINYHMGR-LLVKDONJSA-N 2 0 240.395 1.631 20 0 BDADRP CCNC(=[NH2+])NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000849012718 588436018 /nfs/dbraw/zinc/43/60/18/588436018.db2.gz VCMLBRTUSGUEPN-NSHDSACASA-N 2 0 226.368 1.098 20 0 BDADRP CC[C@H](C)NC(=[NH2+])NCC[N@@H+]1CCCC1(C)C ZINC000849039304 588446867 /nfs/dbraw/zinc/44/68/67/588446867.db2.gz REWIYKYGFSRHDE-NSHDSACASA-N 2 0 240.395 1.773 20 0 BDADRP C[N@@H+]1CCC[C@@H](CCNC(=[NH2+])NC(C)(C)C)C1 ZINC000849041610 588448045 /nfs/dbraw/zinc/44/80/45/588448045.db2.gz SORZNUYUWFINQQ-NSHDSACASA-N 2 0 240.395 1.631 20 0 BDADRP CCCNC(=[NH2+])NCCC[N@H+](C)CC(C)C ZINC000849047055 588450357 /nfs/dbraw/zinc/45/03/57/588450357.db2.gz OEXMJYKLWBFEJD-UHFFFAOYSA-N 2 0 228.384 1.488 20 0 BDADRP CC(C)C[N@H+](C)CCCNC(=[NH2+])NC(C)(C)C ZINC000849046501 588450428 /nfs/dbraw/zinc/45/04/28/588450428.db2.gz HVJAVBZYCRSKMH-UHFFFAOYSA-N 2 0 242.411 1.877 20 0 BDADRP CC(C)[C@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000108324329 588460719 /nfs/dbraw/zinc/46/07/19/588460719.db2.gz GZYFNWQUVTYFCN-STQMWFEESA-N 2 0 210.365 1.964 20 0 BDADRP Cc1nnc(CN(C)CC2CC[NH+](C)CC2)o1 ZINC000110117045 588611916 /nfs/dbraw/zinc/61/19/16/588611916.db2.gz DGVMBDXZQYGZLT-UHFFFAOYSA-N 2 0 238.335 1.152 20 0 BDADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)C1CC1)C2 ZINC000852107453 588664242 /nfs/dbraw/zinc/66/42/42/588664242.db2.gz LLNVHQWJLKBRTB-ZIAGYGMSSA-N 2 0 238.375 1.175 20 0 BDADRP C[N@H+](CCOC(F)F)C1CCC([NH3+])CC1 ZINC000852740636 588698275 /nfs/dbraw/zinc/69/82/75/588698275.db2.gz HDGUGPUFNPQFPA-UHFFFAOYSA-N 2 0 222.279 1.427 20 0 BDADRP CCc1nocc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000852746678 588698767 /nfs/dbraw/zinc/69/87/67/588698767.db2.gz OGVVWHCMZAZXLB-UHFFFAOYSA-N 2 0 249.358 1.813 20 0 BDADRP CO[C@@H](C[N@@H+]1CCC[C@@H](C[NH3+])C1)C1CCCC1 ZINC000852744317 588698829 /nfs/dbraw/zinc/69/88/29/588698829.db2.gz YIQGFIHCBLVXAL-JSGCOSHPSA-N 2 0 240.391 1.862 20 0 BDADRP C[C@@]12COC[C@H]1C[N@H+](CCCCCC[NH3+])C2 ZINC000852758854 588700676 /nfs/dbraw/zinc/70/06/76/588700676.db2.gz FUOGWAWVKDTPQM-CHWSQXEVSA-N 2 0 226.364 1.474 20 0 BDADRP Cc1ccncc1CCC[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000862483767 589217120 /nfs/dbraw/zinc/21/71/20/589217120.db2.gz TUMKIFNDTDIFPH-JOCQHMNTSA-N 2 0 247.342 1.176 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C[C@H](C)O1 ZINC000863483058 589292394 /nfs/dbraw/zinc/29/23/94/589292394.db2.gz POYYYZCHYOKUQE-YVECIDJPSA-N 2 0 238.375 1.817 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000863481986 589292578 /nfs/dbraw/zinc/29/25/78/589292578.db2.gz ORJQQBLUYDDANE-SDDRHHMPSA-N 2 0 212.337 1.143 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000863544401 589297030 /nfs/dbraw/zinc/29/70/30/589297030.db2.gz SQWOIVMYFCNHHE-NEPJUHHUSA-N 2 0 214.353 1.247 20 0 BDADRP COC(=O)C1=CC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000863541413 589297278 /nfs/dbraw/zinc/29/72/78/589297278.db2.gz IHVILBQLUOPBSO-CMPLNLGQSA-N 2 0 240.347 1.355 20 0 BDADRP [NH3+]CCCOCC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000863547014 589297985 /nfs/dbraw/zinc/29/79/85/589297985.db2.gz NQXRTDTWDBLEGQ-VXGBXAGGSA-N 2 0 212.337 1.130 20 0 BDADRP CC(C)C[C@H](CNC(=[NH2+])N[C@H]1C[C@H]1C)[NH+](C)C ZINC000864450594 589364264 /nfs/dbraw/zinc/36/42/64/589364264.db2.gz RASNDDARIYRRJJ-UTUOFQBUSA-N 2 0 240.395 1.485 20 0 BDADRP CC(C)(C)[NH2+]CCCNC(=[NH2+])NCCC1CC1 ZINC000864453920 589365919 /nfs/dbraw/zinc/36/59/19/589365919.db2.gz DQYOIYPVAGRGPX-UHFFFAOYSA-N 2 0 240.395 1.679 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](CNC(=[NH2+])N[C@H]2C[C@H]2C)C1 ZINC000864455269 589366534 /nfs/dbraw/zinc/36/65/34/589366534.db2.gz LIXWZUDFJMJRGE-UTUOFQBUSA-N 2 0 238.379 1.239 20 0 BDADRP CC[C@@H]1CCN(C(=[NH2+])NC[C@@H](C)C[NH+](C)C)C1 ZINC000864465833 589370705 /nfs/dbraw/zinc/37/07/05/589370705.db2.gz BYUIFMLIYSVMHC-VXGBXAGGSA-N 2 0 240.395 1.440 20 0 BDADRP C[C@@H](CNc1cc[nH+]cc1C(F)(F)F)[NH+](C)C ZINC000865438056 589435888 /nfs/dbraw/zinc/43/58/88/589435888.db2.gz YHMRKVXCLBSMDR-QMMMGPOBSA-N 2 0 247.264 1.884 20 0 BDADRP CC[C@H](C)C[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000865660063 589454998 /nfs/dbraw/zinc/45/49/98/589454998.db2.gz VLDYUODNEBEYHS-RYUDHWBXSA-N 2 0 228.380 1.467 20 0 BDADRP C[N@@H+]1CC[C@@H]2CN(CC3CC[NH2+]CC3)CC[C@@H]21 ZINC000866704566 589513340 /nfs/dbraw/zinc/51/33/40/589513340.db2.gz WIOFOLYBUMKIMO-KGLIPLIRSA-N 2 0 237.391 1.012 20 0 BDADRP [NH3+]CCC[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000866704196 589513756 /nfs/dbraw/zinc/51/37/56/589513756.db2.gz RJSDDRIZNCHHFZ-UWVGGRQHSA-N 2 0 200.351 1.020 20 0 BDADRP C(CN1CCC[C@H]2[NH2+]CC[C@H]21)[C@@H]1CCC[NH2+]C1 ZINC000866722925 589514934 /nfs/dbraw/zinc/51/49/34/589514934.db2.gz ASYKBOZIJORAKR-BFHYXJOUSA-N 2 0 237.391 1.202 20 0 BDADRP [NH3+]CCCCCCN1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866725306 589516440 /nfs/dbraw/zinc/51/64/40/589516440.db2.gz RWQXDGSBXRVNSL-STQMWFEESA-N 2 0 225.380 1.332 20 0 BDADRP CC1(C)[C@@H]([NH3+])c2ccccc2N1C(=O)[C@H]1CC[NH2+]1 ZINC000867987165 589542763 /nfs/dbraw/zinc/54/27/63/589542763.db2.gz HWNSNVIGODYQCK-PWSUYJOCSA-N 2 0 245.326 1.174 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])CN1Cc1cccc(Cl)n1 ZINC000122308740 589577683 /nfs/dbraw/zinc/57/76/83/589577683.db2.gz KTCNVNOULDEYSV-NXEZZACHSA-N 2 0 239.750 1.904 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])CN1Cc1ccc(Cl)nc1 ZINC000122333674 589581911 /nfs/dbraw/zinc/58/19/11/589581911.db2.gz ZQHXBWSCVCDKFW-KOLCDFICSA-N 2 0 239.750 1.904 20 0 BDADRP C[C@H](CCCC[NH3+])NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870947723 589700872 /nfs/dbraw/zinc/70/08/72/589700872.db2.gz SAVRTUUVOCXZDU-UTUOFQBUSA-N 2 0 241.379 1.138 20 0 BDADRP [NH3+]C1(Cc2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)CC1 ZINC000871800775 589820213 /nfs/dbraw/zinc/82/02/13/589820213.db2.gz UBDYCNVLBRIRLG-PBINXNQUSA-N 2 0 248.330 1.101 20 0 BDADRP C[N@H+](C[C@H]1CC2(CCC2)CO1)CC(C)(C)C[NH3+] ZINC000872141847 589882565 /nfs/dbraw/zinc/88/25/65/589882565.db2.gz WEHOGRGZIQXQII-GFCCVEGCSA-N 2 0 240.391 1.862 20 0 BDADRP COCC[C@H](C)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000872253883 589899534 /nfs/dbraw/zinc/89/95/34/589899534.db2.gz LRUMXUDRYJLDON-RYUDHWBXSA-N 2 0 228.380 1.779 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872300225 589908225 /nfs/dbraw/zinc/90/82/25/589908225.db2.gz HWTQLWHLWVIGTK-KXNHARMFSA-N 2 0 241.379 1.136 20 0 BDADRP C[N@H+](CCC1OCCO1)C[C@H]1CCC[NH+](C)C1 ZINC000124399497 589984395 /nfs/dbraw/zinc/98/43/95/589984395.db2.gz KKHRNAOCDLYJFV-LBPRGKRZSA-N 2 0 242.363 1.023 20 0 BDADRP [NH3+][C@@H]1C[C@H]1c1ccc(NC2CC[NH2+]CC2)cc1 ZINC000873216834 589998171 /nfs/dbraw/zinc/99/81/71/589998171.db2.gz YWMUMYCYMPLBSG-UONOGXRCSA-N 2 0 231.343 1.665 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873220360 589998952 /nfs/dbraw/zinc/99/89/52/589998952.db2.gz LHNUADRYMGTCCQ-WCQYABFASA-N 3 0 227.396 1.338 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)C1CC[NH2+]CC1 ZINC000873220101 589998974 /nfs/dbraw/zinc/99/89/74/589998974.db2.gz JJWYPPGYZLKSOH-RTXFEEFZSA-N 3 0 225.380 1.234 20 0 BDADRP C[N@@H+]1CC[C@@H]2CN(C[C@]3(C)CC[NH2+]C3)CC[C@@H]21 ZINC000873221830 589999614 /nfs/dbraw/zinc/99/96/14/589999614.db2.gz RKOCQKONDVINDX-HZSPNIEDSA-N 3 0 237.391 1.012 20 0 BDADRP C(C[C@@H]1CCOC1)[NH2+][C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000873231051 590002890 /nfs/dbraw/zinc/00/28/90/590002890.db2.gz FQEALWBLVPQNCM-FRRDWIJNSA-N 2 0 224.348 1.287 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccnc(F)c2)C1 ZINC000873240580 590005493 /nfs/dbraw/zinc/00/54/93/590005493.db2.gz BMKWGQVYYGKKKN-WDEREUQCSA-N 2 0 223.295 1.580 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000873239109 590005825 /nfs/dbraw/zinc/00/58/25/590005825.db2.gz OAJFOXFOEJKBGA-WGSKYGEUSA-N 2 0 236.359 1.127 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCCC[C@@H]1F ZINC000873239095 590006112 /nfs/dbraw/zinc/00/61/12/590006112.db2.gz NPUWUWNYYDTAOJ-SDDRHHMPSA-N 2 0 232.343 1.611 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccnc(F)c1 ZINC000873242351 590006216 /nfs/dbraw/zinc/00/62/16/590006216.db2.gz PJLAKDSBCHJIRQ-NWDGAFQWSA-N 2 0 237.322 1.828 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccnc(F)c1 ZINC000873243144 590006265 /nfs/dbraw/zinc/00/62/65/590006265.db2.gz VLRMKHOFQDFJFL-JTQLQIEISA-N 2 0 225.311 1.828 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)C1CC[NH+](C)CC1 ZINC000873254428 590006485 /nfs/dbraw/zinc/00/64/85/590006485.db2.gz SWFLXIJJPPVDLT-WZRBSPASSA-N 3 0 225.380 1.044 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccnc(F)c1 ZINC000873242706 590006811 /nfs/dbraw/zinc/00/68/11/590006811.db2.gz RHAOSMCDZNNYRY-WDEREUQCSA-N 2 0 223.295 1.438 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000873249070 590007364 /nfs/dbraw/zinc/00/73/64/590007364.db2.gz ICBXMNGXYULHMX-XVIXHAIJSA-N 3 0 237.391 1.234 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000873251035 590008131 /nfs/dbraw/zinc/00/81/31/590008131.db2.gz ICLSBLKVLBCXPC-IGQOVBAYSA-N 2 0 238.375 1.519 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CC[C@H]2C2CCC2)C1 ZINC000873250597 590008176 /nfs/dbraw/zinc/00/81/76/590008176.db2.gz QBSDGRAPSUMKCZ-RYDUCSDGSA-N 2 0 208.349 1.892 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cccc(CO)c1 ZINC000873253077 590009046 /nfs/dbraw/zinc/00/90/46/590009046.db2.gz YWKXTAUMBUTKOW-QKCSRTOESA-N 2 0 234.343 1.567 20 0 BDADRP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873253901 590009874 /nfs/dbraw/zinc/00/98/74/590009874.db2.gz GXILHBQUBHAMIM-INTQDDNPSA-N 2 0 222.336 1.116 20 0 BDADRP CCCC[C@H](COC)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873255139 590010310 /nfs/dbraw/zinc/01/03/10/590010310.db2.gz DTTBHMDDIVIUMR-IJLUTSLNSA-N 2 0 214.353 1.519 20 0 BDADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000873255599 590010680 /nfs/dbraw/zinc/01/06/80/590010680.db2.gz ICBXMNGXYULHMX-HTVCTNPSSA-N 3 0 237.391 1.234 20 0 BDADRP CO[C@H]1CCC[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C1 ZINC000873255840 590011020 /nfs/dbraw/zinc/01/10/20/590011020.db2.gz IUJHXAGNMZQQHD-BJDJZHNGSA-N 2 0 212.337 1.271 20 0 BDADRP CN1CCC([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000873257452 590012164 /nfs/dbraw/zinc/01/21/64/590012164.db2.gz HULCYMKYDGLYGZ-UBSAEIQESA-N 2 0 237.391 1.201 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)[C@H](C)C1 ZINC000873258191 590012388 /nfs/dbraw/zinc/01/23/88/590012388.db2.gz NUTDJRLHINSUDI-FDYHWXHSSA-N 3 0 225.380 1.044 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873261762 590014007 /nfs/dbraw/zinc/01/40/07/590014007.db2.gz RJCRKKULBYXHBC-NWBUJAPZSA-N 3 0 225.380 1.232 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873261763 590014295 /nfs/dbraw/zinc/01/42/95/590014295.db2.gz RJCRKKULBYXHBC-OFTGVCEQSA-N 3 0 225.380 1.232 20 0 BDADRP CN1Cc2ccccc2[C@@H]1C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000873266786 590014689 /nfs/dbraw/zinc/01/46/89/590014689.db2.gz QNOZSFUPUXFVAX-ILXRZTDVSA-N 2 0 245.370 1.643 20 0 BDADRP COC[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000873264811 590014841 /nfs/dbraw/zinc/01/48/41/590014841.db2.gz RXYLHRBEAAFCRL-XJFOESAGSA-N 2 0 240.391 1.778 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCOC[C@@H]1C)C1CC[NH2+]CC1 ZINC000873269555 590015477 /nfs/dbraw/zinc/01/54/77/590015477.db2.gz RSFOXFLACWGEJB-LOWVWBTDSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1cnccn1 ZINC000873270066 590016014 /nfs/dbraw/zinc/01/60/14/590016014.db2.gz OPVNVBKZJVXNQT-WDEREUQCSA-N 2 0 234.347 1.515 20 0 BDADRP C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccn(C)n1 ZINC000873272051 590016146 /nfs/dbraw/zinc/01/61/46/590016146.db2.gz OEQZJXNQAHTCPU-QWRGUYRKSA-N 2 0 236.363 1.459 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)C1CC[NH2+]CC1 ZINC000873270584 590016485 /nfs/dbraw/zinc/01/64/85/590016485.db2.gz XWPAWUDGTVLWQB-OUCADQQQSA-N 3 0 239.407 1.352 20 0 BDADRP C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccnn1C ZINC000873271870 590016501 /nfs/dbraw/zinc/01/65/01/590016501.db2.gz MXRPDOOFOJUFJN-QWRGUYRKSA-N 2 0 236.363 1.459 20 0 BDADRP C([NH2+]C1CCCC1)[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873288926 590022230 /nfs/dbraw/zinc/02/22/30/590022230.db2.gz CPFGGZNSIHHJNV-ZDUSSCGKSA-N 2 0 238.375 1.677 20 0 BDADRP C[C@@H]([NH2+]Cc1cc(N)cc(F)c1)C1C[NH2+]C1 ZINC000873291843 590023630 /nfs/dbraw/zinc/02/36/30/590023630.db2.gz YMRBDQNGUQSFBW-MRVPVSSYSA-N 2 0 223.295 1.105 20 0 BDADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)C1CC1 ZINC000020128418 590077695 /nfs/dbraw/zinc/07/76/95/590077695.db2.gz WAABWVBFFRCPSH-GFCCVEGCSA-N 2 0 225.380 1.012 20 0 BDADRP C[C@@H]([NH3+])CN(C)C(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000877104060 590284107 /nfs/dbraw/zinc/28/41/07/590284107.db2.gz AUNVUGNVWNZWTP-NXEZZACHSA-N 2 0 235.331 1.126 20 0 BDADRP CC[C@H]([NH3+])C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877133688 590291217 /nfs/dbraw/zinc/29/12/17/590291217.db2.gz GZIBILVTVCKOOV-SDDRHHMPSA-N 2 0 233.315 1.177 20 0 BDADRP C[C@H](C[NH3+])C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877136699 590291227 /nfs/dbraw/zinc/29/12/27/590291227.db2.gz KKOCESYJPYTAAE-JFUSQASVSA-N 2 0 233.315 1.035 20 0 BDADRP CN(CCCCCC[NH3+])C(=O)C[C@@H]1CCC[NH2+]1 ZINC000877443088 590328953 /nfs/dbraw/zinc/32/89/53/590328953.db2.gz CBPFECJBQZSRJF-LBPRGKRZSA-N 2 0 241.379 1.106 20 0 BDADRP C[NH+](C)C[C@@H]1CN(CC2CC2)C[C@H]1C[NH+](C)C ZINC000877669548 590389131 /nfs/dbraw/zinc/38/91/31/590389131.db2.gz OBZSZFDCJQJIJZ-ZIAGYGMSSA-N 3 0 239.407 1.068 20 0 BDADRP CO[C@H](C)C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877741280 590408247 /nfs/dbraw/zinc/40/82/47/590408247.db2.gz MKAOZVTZYPZFLU-IJLUTSLNSA-N 2 0 212.337 1.047 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1)C1CC1 ZINC000877741385 590408624 /nfs/dbraw/zinc/40/86/24/590408624.db2.gz VLNLIRDDHFYOLF-MELADBBJSA-N 2 0 238.375 1.437 20 0 BDADRP CO[C@H]1C[C@@H](C[NH+]2CCC(C[NH+](C)C)CC2)C1 ZINC000877970049 590462356 /nfs/dbraw/zinc/46/23/56/590462356.db2.gz KJVIGUIBRSXEQL-OKILXGFUSA-N 2 0 240.391 1.685 20 0 BDADRP COCC[N@H+](CCCF)CC1CC[NH+](C)CC1 ZINC000879124817 590699333 /nfs/dbraw/zinc/69/93/33/590699333.db2.gz FBFNDEMJPMGARU-UHFFFAOYSA-N 2 0 246.370 1.636 20 0 BDADRP CC(C)[C@H](O)CC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580864 590820122 /nfs/dbraw/zinc/82/01/22/590820122.db2.gz VDCBAHXXZBFNKK-BFHYXJOUSA-N 2 0 240.391 1.419 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000880148322 590946209 /nfs/dbraw/zinc/94/62/09/590946209.db2.gz VNKYGAGQPGOQMO-CYBMUJFWSA-N 2 0 242.407 1.811 20 0 BDADRP CO[C@@H](C)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880260028 590979608 /nfs/dbraw/zinc/97/96/08/590979608.db2.gz MJQUFRYTHVBLOG-STQMWFEESA-N 2 0 249.358 1.627 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000883261806 591600053 /nfs/dbraw/zinc/60/00/53/591600053.db2.gz NBRKPEBHVKVUNN-JHJVBQTASA-N 2 0 240.391 1.874 20 0 BDADRP COC[C@H]1C[C@@H]([NH2+]Cc2cccc3nccn32)C1 ZINC000883315898 591612345 /nfs/dbraw/zinc/61/23/45/591612345.db2.gz CMXAOCRVCYUHJN-TXEJJXNPSA-N 2 0 245.326 1.849 20 0 BDADRP C=C/C=C\CCN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000883433834 591664048 /nfs/dbraw/zinc/66/40/48/591664048.db2.gz ZXWCKKWWQFIVJL-SCOBNMCVSA-N 2 0 206.333 1.947 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000883459310 591673523 /nfs/dbraw/zinc/67/35/23/591673523.db2.gz RMOKKMCSTFZREA-UHFFFAOYSA-N 3 0 239.407 1.724 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]C2CCOCC2)c2ccccc21 ZINC000131982553 591682798 /nfs/dbraw/zinc/68/27/98/591682798.db2.gz DLOPNMXUBUBJRR-UONOGXRCSA-N 2 0 232.327 1.900 20 0 BDADRP [NH3+]Cc1cccc(NC(=O)[C@H]([NH3+])CC2CC2)c1 ZINC000884007278 591795379 /nfs/dbraw/zinc/79/53/79/591795379.db2.gz VUSYHVLHUFYYCR-GFCCVEGCSA-N 2 0 233.315 1.211 20 0 BDADRP C[NH2+][C@@H](CC(C)C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000884253509 591885143 /nfs/dbraw/zinc/88/51/43/591885143.db2.gz MJDLOQKXWRPQKO-ZDUSSCGKSA-N 2 0 249.358 1.718 20 0 BDADRP COC(=O)[C@H]1CC[C@@H]([NH2+]CCCC[NH+](C)C)C1 ZINC000886517983 592241857 /nfs/dbraw/zinc/24/18/57/592241857.db2.gz YVMFBZXIKIYMNF-NWDGAFQWSA-N 2 0 242.363 1.260 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](C[C@H]2C[C@]23CCOC3)C1 ZINC000886838384 592358648 /nfs/dbraw/zinc/35/86/48/592358648.db2.gz WOHIEHLOPGQCNB-MJBXVCDLSA-N 2 0 238.375 1.474 20 0 BDADRP C(C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1)[C@@H]1CC[NH2+]C1 ZINC000886859947 592371208 /nfs/dbraw/zinc/37/12/08/592371208.db2.gz LNPSLCCICXHDMP-IHRRRGAJSA-N 2 0 238.375 1.487 20 0 BDADRP CC(C)OCC[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886868080 592374995 /nfs/dbraw/zinc/37/49/95/592374995.db2.gz VHWQPADKYPMKOA-AWEZNQCLSA-N 2 0 240.391 1.877 20 0 BDADRP CC(=O)CC[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887131494 592449120 /nfs/dbraw/zinc/44/91/20/592449120.db2.gz ZBNKHOILCIUXTR-LBPRGKRZSA-N 2 0 247.342 1.571 20 0 BDADRP C[N@H+](CCCCNC(=[NH2+])NCC(F)F)C1CC1 ZINC000887362163 592491360 /nfs/dbraw/zinc/49/13/60/592491360.db2.gz ZNCYVMRMJHOGTD-UHFFFAOYSA-N 2 0 248.321 1.240 20 0 BDADRP CC[C@H]1C[N@H+](CCCCCCO)CC[C@H]1[NH3+] ZINC000300333966 592507623 /nfs/dbraw/zinc/50/76/23/592507623.db2.gz VCHLNCUGOOMGCH-QWHCGFSZSA-N 2 0 228.380 1.598 20 0 BDADRP C[C@H]([NH3+])[C@H](NCCC[NH2+]C1CC1)c1ccccc1 ZINC000925704294 634384434 /nfs/dbraw/zinc/38/44/34/634384434.db2.gz FZXCLAAUOYNRHC-WFASDCNBSA-N 2 0 247.386 1.807 20 0 BDADRP C[C@@H]([NH3+])[C@H](N[C@@H](C)[C@H](C)[NH3+])c1ccccc1 ZINC000925705024 634385440 /nfs/dbraw/zinc/38/54/40/634385440.db2.gz HJKABALGKQZTGM-NOHGZBONSA-N 2 0 221.348 1.400 20 0 BDADRP CCCCC[C@H](CC)[NH2+]C[C@@H](O)C[NH3+] ZINC001258430282 991358223 /nfs/dbraw/zinc/35/82/23/991358223.db2.gz LKKRKSJUMQVJJR-QWRGUYRKSA-N 2 0 202.342 1.255 20 0 BDADRP C[C@@H]([NH3+])[C@@H](N[C@@H](C)[C@H](C)[NH3+])c1ccccc1 ZINC000925705026 634387116 /nfs/dbraw/zinc/38/71/16/634387116.db2.gz HJKABALGKQZTGM-SRRSOLGSSA-N 2 0 221.348 1.400 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C12CCC2 ZINC000925706592 634390494 /nfs/dbraw/zinc/39/04/94/634390494.db2.gz MZYBUABYGGXULN-MRTXSQPYSA-N 3 0 249.402 1.234 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000925707353 634394045 /nfs/dbraw/zinc/39/40/45/634394045.db2.gz PNMWRYZRECZELU-GFCCVEGCSA-N 3 0 223.364 1.026 20 0 BDADRP CO[C@H]1CCC[N@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000299917462 634401691 /nfs/dbraw/zinc/40/16/91/634401691.db2.gz UJEBMIZBUIFVCS-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP Cc1cc(N)cc(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925710577 634407890 /nfs/dbraw/zinc/40/78/90/634407890.db2.gz QGFBPYNQNPATPF-KBPBESRZSA-N 2 0 245.370 1.937 20 0 BDADRP COC1CC(CC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925713148 634413972 /nfs/dbraw/zinc/41/39/72/634413972.db2.gz KCAPJIUPFNXNLJ-FIYWTHMPSA-N 2 0 238.375 1.661 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1COCC1(C)C ZINC000313075184 634448105 /nfs/dbraw/zinc/44/81/05/634448105.db2.gz ITVFBJXWSATILV-GFCCVEGCSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000257708508 634477284 /nfs/dbraw/zinc/47/72/84/634477284.db2.gz NEAXZHIDEMPHGG-NWDGAFQWSA-N 2 0 219.332 1.813 20 0 BDADRP C[C@H]1C[N@H+](C[C@@H](O)c2ccccc2)CC[C@H]1[NH3+] ZINC000313561039 634490737 /nfs/dbraw/zinc/49/07/37/634490737.db2.gz UFJSFHSBECHLDI-IACUBPJLSA-N 2 0 234.343 1.389 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000925724515 634495174 /nfs/dbraw/zinc/49/51/74/634495174.db2.gz ZJLZTADSPQETIW-GHMZBOCLSA-N 2 0 223.364 1.001 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)C1 ZINC000925726763 634522498 /nfs/dbraw/zinc/52/24/98/634522498.db2.gz LNGATNBCLPEERS-QSLWVIQJSA-N 2 0 238.375 1.519 20 0 BDADRP C[NH2+]C[C@@H]1CCN(Cc2oc(C)nc2C)C1 ZINC000311660148 635199892 /nfs/dbraw/zinc/19/98/92/635199892.db2.gz FYPDVVBHRKASPD-NSHDSACASA-N 2 0 223.320 1.333 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@]1(C)CC1(C)C ZINC000925732498 634574660 /nfs/dbraw/zinc/57/46/60/634574660.db2.gz BYQQQSYRRFKOIR-FMSGJZPZSA-N 2 0 240.391 1.765 20 0 BDADRP FC1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000258153356 634578063 /nfs/dbraw/zinc/57/80/63/634578063.db2.gz SDSOAENSQJQTED-SNVBAGLBSA-N 2 0 200.301 1.420 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)C12CCC2 ZINC000925736206 634590174 /nfs/dbraw/zinc/59/01/74/634590174.db2.gz ZUBUKTWLFCAING-FNCVBFRFSA-N 2 0 234.265 1.797 20 0 BDADRP CCN(CC)C(=O)C[C@H](C)[NH2+]CCC(C)(C)[NH3+] ZINC000925742229 634602989 /nfs/dbraw/zinc/60/29/89/634602989.db2.gz ZVWOYKKISNORLN-NSHDSACASA-N 2 0 243.395 1.350 20 0 BDADRP COCCC[C@@H](C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925798129 635337243 /nfs/dbraw/zinc/33/72/43/635337243.db2.gz PYTMMYMWNUJCLC-JHJVBQTASA-N 2 0 228.380 1.637 20 0 BDADRP C[NH+](C)C1CC[NH+](CCCCCCO)CC1 ZINC000226834494 635443851 /nfs/dbraw/zinc/44/38/51/635443851.db2.gz ZRKTUUIILGTZNR-UHFFFAOYSA-N 2 0 228.380 1.565 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)[C@H]1CCC[NH2+]1 ZINC000925829326 635458139 /nfs/dbraw/zinc/45/81/39/635458139.db2.gz CDEGCGKJGCRCRC-PDWCTOEPSA-N 2 0 236.359 1.308 20 0 BDADRP C[N@H+](CCCCO)CC1CC[NH+](C)CC1 ZINC000063121309 635468260 /nfs/dbraw/zinc/46/82/60/635468260.db2.gz HNAHWUHJLMZXCT-UHFFFAOYSA-N 2 0 214.353 1.033 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000925831808 635468687 /nfs/dbraw/zinc/46/86/87/635468687.db2.gz MDCOLXWNEYWBBO-DOLQZWNJSA-N 2 0 236.281 1.772 20 0 BDADRP CC(C)N1CC[NH+](CCCCCCC[NH3+])CC1 ZINC000036190210 635494895 /nfs/dbraw/zinc/49/48/95/635494895.db2.gz YCAJWFVGPOKJQY-UHFFFAOYSA-N 2 0 241.423 1.922 20 0 BDADRP C(N[C@H]1CCC[NH2+]CC1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925840646 635506157 /nfs/dbraw/zinc/50/61/57/635506157.db2.gz NEQOZARMGZMRQS-BFHYXJOUSA-N 2 0 237.391 1.250 20 0 BDADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCc2cccnc21 ZINC000234264021 635551959 /nfs/dbraw/zinc/55/19/59/635551959.db2.gz SLQJMTRGNUOANS-CYBMUJFWSA-N 2 0 249.358 1.237 20 0 BDADRP C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000157434761 631348573 /nfs/dbraw/zinc/34/85/73/631348573.db2.gz NBUHZLGPWAINLL-MGPQQGTHSA-N 2 0 237.391 1.202 20 0 BDADRP COCC(C)(C)C[NH2+]CCC(C)(C)[NH3+] ZINC000308486592 631390845 /nfs/dbraw/zinc/39/08/45/631390845.db2.gz OLLKNDKVTRIHBW-UHFFFAOYSA-N 2 0 202.342 1.376 20 0 BDADRP CC(C)OC1CC([NH2+]CCOCC[NH+](C)C)C1 ZINC000926254586 631510356 /nfs/dbraw/zinc/51/03/56/631510356.db2.gz LYVNMXYWCGNPEE-UHFFFAOYSA-N 2 0 244.379 1.110 20 0 BDADRP [NH3+]CCC[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000051356164 631566025 /nfs/dbraw/zinc/56/60/25/631566025.db2.gz AXEZEKUEJFOZMO-OAHLLOKOSA-N 2 0 244.338 1.812 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CCC1CCC1 ZINC000234715087 631669093 /nfs/dbraw/zinc/66/90/93/631669093.db2.gz GTHWGZWUTRAJSU-GFCCVEGCSA-N 2 0 214.353 1.520 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+](C)Cc2cccnc2)CC[NH2+]1 ZINC000235366074 632028660 /nfs/dbraw/zinc/02/86/60/632028660.db2.gz ZRBXBSPSLCKLNR-CHWSQXEVSA-N 2 0 233.359 1.902 20 0 BDADRP CCNC(=[NH2+])NC[C@@H](C)C[NH+]1CCCCC1 ZINC000052042974 632054156 /nfs/dbraw/zinc/05/41/56/632054156.db2.gz KMSGOVDBUKOXKN-LLVKDONJSA-N 2 0 226.368 1.242 20 0 BDADRP C[NH+](C)CCCCNC(=[NH2+])NC1CCCCC1 ZINC000052048291 632056925 /nfs/dbraw/zinc/05/69/25/632056925.db2.gz VGLQZHXSHHWQQO-UHFFFAOYSA-N 2 0 240.395 1.775 20 0 BDADRP C[N@H+](C[C@H](N)CC(F)F)CC1CC[NH+](C)CC1 ZINC000310374053 635760457 /nfs/dbraw/zinc/76/04/57/635760457.db2.gz OSSHEYRISKCUHA-LLVKDONJSA-N 2 0 249.349 1.243 20 0 BDADRP Cc1cc(N2CCC(C[NH+](C)C)CC2)nc(N)[nH+]1 ZINC000052404296 632400700 /nfs/dbraw/zinc/40/07/00/632400700.db2.gz QHPJKUFBHZZBIK-UHFFFAOYSA-N 2 0 249.362 1.145 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1NCC[NH+]1CCCCCC1 ZINC000089150315 632658394 /nfs/dbraw/zinc/65/83/94/632658394.db2.gz JACMSRULYNUOCA-UONOGXRCSA-N 2 0 239.407 1.579 20 0 BDADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CC[C@@H]1C ZINC000309945016 632686206 /nfs/dbraw/zinc/68/62/06/632686206.db2.gz DAKISTURPQKUNL-YNEHKIRRSA-N 2 0 228.380 1.731 20 0 BDADRP CC[C@H](C[C@@](C)(O)CC)[NH2+]CCC[NH+](C)C ZINC000924542083 632793248 /nfs/dbraw/zinc/79/32/48/632793248.db2.gz YWKZNKWQSURHKO-OLZOCXBDSA-N 2 0 230.396 1.857 20 0 BDADRP CCNC(NCC[N@@H+]1CCC[C@H](C)C1)=[NH+]CC ZINC000066243428 632861604 /nfs/dbraw/zinc/86/16/04/632861604.db2.gz RAYIDTVGTAFJLP-LBPRGKRZSA-N 2 0 240.395 1.293 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](CCCCCCO)C1 ZINC000236258224 632904014 /nfs/dbraw/zinc/90/40/14/632904014.db2.gz VHURJCJISBHZCH-LBPRGKRZSA-N 2 0 214.353 1.210 20 0 BDADRP C[C@H]([NH3+])CN(C)C[C@@H]1CCOc2ccccc21 ZINC000162815206 633039986 /nfs/dbraw/zinc/03/99/86/633039986.db2.gz AFGZYFQAJDRWLK-RYUDHWBXSA-N 2 0 234.343 1.832 20 0 BDADRP C[C@@H]1C[C@H]1C[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000167536142 633130876 /nfs/dbraw/zinc/13/08/76/633130876.db2.gz RWGVUDQHJUWRHB-RISCZKNCSA-N 2 0 218.344 1.933 20 0 BDADRP c1ccc(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)cc1 ZINC000328491659 633773077 /nfs/dbraw/zinc/77/30/77/633773077.db2.gz OAVOQLGKAKWNMY-RFBLXINOSA-N 2 0 242.366 1.815 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328546028 633774577 /nfs/dbraw/zinc/77/45/77/633774577.db2.gz NHNBUTJCHWHBFB-XDSHMYFISA-N 2 0 249.402 1.057 20 0 BDADRP COCCCCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328572548 633778420 /nfs/dbraw/zinc/77/84/20/633778420.db2.gz URKGFPNCNVBVGA-YHQUGGNUSA-N 2 0 238.375 1.389 20 0 BDADRP CC(C)C[NH+]1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000019933585 633804610 /nfs/dbraw/zinc/80/46/10/633804610.db2.gz WVPKVEYCBJIBLZ-CYBMUJFWSA-N 2 0 225.380 1.012 20 0 BDADRP C[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)C[C@H](C)O ZINC000925511007 633852520 /nfs/dbraw/zinc/85/25/20/633852520.db2.gz DKVNANZJTSIHGE-FRRDWIJNSA-N 2 0 240.391 1.658 20 0 BDADRP CCCC[NH+]1CCC([NH2+][C@H](C)COC)CC1 ZINC000053174555 633876630 /nfs/dbraw/zinc/87/66/30/633876630.db2.gz NYXDXBGFWNKVEL-GFCCVEGCSA-N 2 0 228.380 1.875 20 0 BDADRP CC(C)COCCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925520350 633882506 /nfs/dbraw/zinc/88/25/06/633882506.db2.gz RPRMYRVTWPNSRO-ZDUSSCGKSA-N 2 0 240.391 1.923 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CCNc2ccccc2)C12CCC2 ZINC000925537575 633940485 /nfs/dbraw/zinc/94/04/85/633940485.db2.gz MHJUGFUDEALUNY-KGLIPLIRSA-N 2 0 245.370 1.958 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCOCC2CC2)C1 ZINC000925559661 634039127 /nfs/dbraw/zinc/03/91/27/634039127.db2.gz ZZJNPRXNNXRRML-CHWSQXEVSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@H]([NH3+])[C@H](NC[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000925563057 634043992 /nfs/dbraw/zinc/04/39/92/634043992.db2.gz AACJZCUQYCLISH-CFVMTHIKSA-N 2 0 247.386 1.759 20 0 BDADRP [NH3+]CCC[C@H]([NH2+]CCO)c1ccccc1 ZINC000925613039 634152643 /nfs/dbraw/zinc/15/26/43/634152643.db2.gz WSAZXLFUDWBEGI-LBPRGKRZSA-N 2 0 208.305 1.049 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2ccccc2O)C12CCC2 ZINC000925616233 634161897 /nfs/dbraw/zinc/16/18/97/634161897.db2.gz LLCUSLYVGIRMFA-UONOGXRCSA-N 2 0 246.354 1.794 20 0 BDADRP CC1(C)C[C@@H]([NH2+][C@@H]2CCOC2)C[C@@H]([NH3+])C1 ZINC000925620513 634178145 /nfs/dbraw/zinc/17/81/45/634178145.db2.gz BKOWGCCPACUHHF-MXWKQRLJSA-N 2 0 212.337 1.271 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925662395 634229371 /nfs/dbraw/zinc/22/93/71/634229371.db2.gz HQNHLSRXUFJWFN-JHJVBQTASA-N 2 0 239.407 1.576 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)N[C@@H]1CC[NH2+]C1(C)C ZINC000925676479 634265931 /nfs/dbraw/zinc/26/59/31/634265931.db2.gz MIDDNORGERTOGV-QWHCGFSZSA-N 2 0 241.423 1.837 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H]1CC12CCOCC2 ZINC000925682120 634285809 /nfs/dbraw/zinc/28/58/09/634285809.db2.gz SZQWTKZTAYSGOP-NEPJUHHUSA-N 2 0 238.375 1.533 20 0 BDADRP Cc1cnc(CC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)cn1 ZINC000925683700 634286868 /nfs/dbraw/zinc/28/68/68/634286868.db2.gz AHLWDJAXMQPZIM-STQMWFEESA-N 2 0 246.358 1.187 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@H]1CCC[C@H](CO)C1 ZINC000925691141 634315839 /nfs/dbraw/zinc/31/58/39/634315839.db2.gz LWIRFUBRPBOIBO-SRVKXCTJSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@H]1[NH2+]CCC[C@H]1NCc1ccc2c[nH+]cn2c1 ZINC000925691724 634318889 /nfs/dbraw/zinc/31/88/89/634318889.db2.gz IYVHADQNWVKDAC-BXUZGUMPSA-N 2 0 244.342 1.564 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000925694169 634335506 /nfs/dbraw/zinc/33/55/06/634335506.db2.gz RANWZCZGEDXSRX-MVKMKZAISA-N 3 0 239.407 1.752 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H](N[C@H]2CCC[NH2+]C2)C1 ZINC000925694373 634337502 /nfs/dbraw/zinc/33/75/02/634337502.db2.gz TXYFULPJSWCELC-GRYCIOLGSA-N 2 0 225.380 1.234 20 0 BDADRP [NH3+]CCCN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925694366 634338647 /nfs/dbraw/zinc/33/86/47/634338647.db2.gz TXIGAAUBAKJCND-QWHCGFSZSA-N 2 0 225.380 1.093 20 0 BDADRP [NH3+][C@H](CN[C@H]1C[C@H]([NH3+])C12CCC2)c1ccccc1 ZINC000925695255 634344809 /nfs/dbraw/zinc/34/48/09/634344809.db2.gz VAMFOZOGTJZLHK-RDBSUJKOSA-N 2 0 245.370 1.546 20 0 BDADRP C[C@H](N)[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000925695350 634346679 /nfs/dbraw/zinc/34/66/79/634346679.db2.gz WAALFEVUCDRMHD-KCQAQPDRSA-N 2 0 247.386 1.664 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@H]2O)C12CCC2 ZINC000925696143 634352022 /nfs/dbraw/zinc/35/20/22/634352022.db2.gz YZFLTSFHUVTPPV-USZNOCQGSA-N 2 0 224.348 1.007 20 0 BDADRP CCC([NH3+])(CC)CN[C@@H]1CCC[NH2+][C@H]1C ZINC000925697068 634359703 /nfs/dbraw/zinc/35/97/03/634359703.db2.gz DIKGNGFXLMWOPC-WDEREUQCSA-N 2 0 213.369 1.234 20 0 BDADRP CCC([NH3+])(CC)CN[C@H]1CCC[NH2+][C@@H]1C ZINC000925697064 634360707 /nfs/dbraw/zinc/36/07/07/634360707.db2.gz DIKGNGFXLMWOPC-MNOVXSKESA-N 2 0 213.369 1.234 20 0 BDADRP C[C@@H]([NH3+])[C@H](N[C@@H]1CC[NH2+][C@H](C)C1)c1ccccc1 ZINC000925697954 634362562 /nfs/dbraw/zinc/36/25/62/634362562.db2.gz BPXPXMMBBPLSKN-GBOPCIDUSA-N 2 0 247.386 1.805 20 0 BDADRP C[C@H](C[NH3+])CN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925698738 634365384 /nfs/dbraw/zinc/36/53/84/634365384.db2.gz MCCATCNBDCUFAB-GMTAPVOTSA-N 2 0 213.369 1.077 20 0 BDADRP C[C@]1(CN[C@H]2CC[NH2+]C23CCC3)CCC[NH2+]C1 ZINC000925699093 634367125 /nfs/dbraw/zinc/36/71/25/634367125.db2.gz MSKIPTIZCUIOLS-STQMWFEESA-N 2 0 237.391 1.250 20 0 BDADRP CC[NH2+][C@H](C)CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925699636 634368999 /nfs/dbraw/zinc/36/89/99/634368999.db2.gz LLGHSGWEMFOQGK-VXGBXAGGSA-N 2 0 225.380 1.249 20 0 BDADRP CCCC[C@@H](C[NH3+])N[C@@H]1CC[NH2+]C12CCC2 ZINC000925700063 634369476 /nfs/dbraw/zinc/36/94/76/634369476.db2.gz REALUHFXUODCPD-NWDGAFQWSA-N 2 0 225.380 1.378 20 0 BDADRP CCCC[C@@H](C[NH3+])N[C@@H]1CC[NH2+]C12CCCC2 ZINC000925700618 634371427 /nfs/dbraw/zinc/37/14/27/634371427.db2.gz VYHMLLFTOFHDBD-QWHCGFSZSA-N 2 0 239.407 1.768 20 0 BDADRP C[C@H](C[NH3+])CN[C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925701139 634374122 /nfs/dbraw/zinc/37/41/22/634374122.db2.gz ZUVVEIIMSUYBLW-NQBHXWOUSA-N 2 0 221.348 1.259 20 0 BDADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2CC[NH+]1CCCC1 ZINC000931622066 635132393 /nfs/dbraw/zinc/13/23/93/635132393.db2.gz ODOPUORFFQVQME-ZIAGYGMSSA-N 2 0 237.391 1.251 20 0 BDADRP C[N@H+](CCC[NH3+])CCc1cccc(F)c1 ZINC000258805191 635204928 /nfs/dbraw/zinc/20/49/28/635204928.db2.gz RVHRTHWCRJNLET-UHFFFAOYSA-N 2 0 210.296 1.649 20 0 BDADRP C(C[C@H]1CCCO1)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925773292 635225743 /nfs/dbraw/zinc/22/57/43/635225743.db2.gz CDVKBNWMNJKOIU-GMDXDWKASA-N 2 0 236.359 1.142 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CCC12CCCC2 ZINC000925785655 635301765 /nfs/dbraw/zinc/30/17/65/635301765.db2.gz QBYATTDCXGZDEI-UTUOFQBUSA-N 2 0 208.349 1.907 20 0 BDADRP CC(C)OCCC[NH2+]CC1CC[NH+](C)CC1 ZINC000054240443 636235990 /nfs/dbraw/zinc/23/59/90/636235990.db2.gz BCDNKYOXPYEMRM-UHFFFAOYSA-N 2 0 228.380 1.733 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC(F)(F)F ZINC000925236612 636480460 /nfs/dbraw/zinc/48/04/60/636480460.db2.gz QLKMPSAPPNKEIJ-ULKQDVFKSA-N 2 0 236.281 1.869 20 0 BDADRP C[C@@H]([NH3+])CC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000040803431 636943537 /nfs/dbraw/zinc/94/35/37/636943537.db2.gz VMLVMDGSEJYTIM-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@H](C[NH2+][C@H](C)C(C)(C)CO)C[NH+]1CCCC1 ZINC000924718535 637032169 /nfs/dbraw/zinc/03/21/69/637032169.db2.gz ZKOVJQDABHEYLI-CHWSQXEVSA-N 2 0 242.407 1.715 20 0 BDADRP CC[NH+](CC)CCC[NH2+]C1CCN(OC)CC1 ZINC000323524140 637084185 /nfs/dbraw/zinc/08/41/85/637084185.db2.gz VARPPUDTKPKNKI-UHFFFAOYSA-N 2 0 243.395 1.334 20 0 BDADRP COCC1([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902363383 637297789 /nfs/dbraw/zinc/29/77/89/637297789.db2.gz LWXIRRCGRPJASD-NSHDSACASA-N 2 0 226.364 1.533 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCCC[C@@H]2CCO)C1 ZINC000903463963 637364230 /nfs/dbraw/zinc/36/42/30/637364230.db2.gz UMTQPRWHOJNKRB-YNEHKIRRSA-N 2 0 226.364 1.351 20 0 BDADRP CC(C)(C)OC[C@@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000903565380 637370624 /nfs/dbraw/zinc/37/06/24/637370624.db2.gz IOEFPVSRINWHQK-OLZOCXBDSA-N 2 0 240.391 1.875 20 0 BDADRP CCCCC[N@H+](CCO)C[C@@H]1CCCC[NH2+]C1 ZINC000903725092 637379099 /nfs/dbraw/zinc/37/90/99/637379099.db2.gz WKMDSPNGTQAONI-CQSZACIVSA-N 2 0 242.407 1.861 20 0 BDADRP CC[N@H+](CC(C)C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903722950 637379470 /nfs/dbraw/zinc/37/94/70/637379470.db2.gz QWQVROUTYHXAOZ-KBPBESRZSA-N 2 0 240.391 1.733 20 0 BDADRP CC[N@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C(C)C ZINC000903722633 637379612 /nfs/dbraw/zinc/37/96/12/637379612.db2.gz BZNHIEZUUHRHLZ-QWHCGFSZSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCC[NH2+]C2)CC[C@H]1C[NH3+] ZINC000903789452 637383375 /nfs/dbraw/zinc/38/33/75/637383375.db2.gz XIQYUJPLCIVBQN-MCIONIFRSA-N 3 0 239.407 1.293 20 0 BDADRP CC1CC(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)C1 ZINC000903789065 637383419 /nfs/dbraw/zinc/38/34/19/637383419.db2.gz UBTUCISRMNKBBZ-POOIEITISA-N 2 0 210.365 1.949 20 0 BDADRP CCO[C@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000904428941 637398624 /nfs/dbraw/zinc/39/86/24/637398624.db2.gz RQAGYPXMKSPNBS-UPJWGTAASA-N 2 0 226.364 1.485 20 0 BDADRP CCc1onc(C)c1C[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904433704 637399943 /nfs/dbraw/zinc/39/99/43/637399943.db2.gz PZHYEGRIXBQSML-AOOOYVTPSA-N 2 0 223.320 1.372 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CN[C@@H]1C[NH2+]CC1(C)C ZINC000904462319 637407365 /nfs/dbraw/zinc/40/73/65/637407365.db2.gz URHHYBRDANBFOT-VXGBXAGGSA-N 2 0 241.423 1.728 20 0 BDADRP C([NH2+]C1([C@@H]2CCCCO2)CC1)C1CC[NH2+]CC1 ZINC000904445058 637414869 /nfs/dbraw/zinc/41/48/69/637414869.db2.gz VPDZZGGKZASHNF-ZDUSSCGKSA-N 2 0 238.375 1.677 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](N[C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000904458242 637420713 /nfs/dbraw/zinc/42/07/13/637420713.db2.gz CQBZOGCNMMTXNF-OBCWZRDOSA-N 2 0 245.370 1.199 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H]1COC[C@H]1C1CC1 ZINC000904475128 637426566 /nfs/dbraw/zinc/42/65/66/637426566.db2.gz ISTGYNQRZMGIGN-VZZFWQQMSA-N 2 0 238.375 1.532 20 0 BDADRP C[C@H]1C[C@@H](CNc2ccccc2C[NH3+])CC[NH2+]1 ZINC000904484044 637428240 /nfs/dbraw/zinc/42/82/40/637428240.db2.gz CRXALRDKMYMMTK-RYUDHWBXSA-N 2 0 233.359 1.945 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000904916559 637522802 /nfs/dbraw/zinc/52/28/02/637522802.db2.gz ISTONIKCYAGVON-QWHCGFSZSA-N 2 0 243.395 1.384 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)N(C)C1CCC([NH3+])CC1 ZINC000904918727 637524893 /nfs/dbraw/zinc/52/48/93/637524893.db2.gz JFWAATJDIFPPKI-GCZXYKMCSA-N 2 0 241.379 1.232 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)Nc1ccccc1C[NH2+]C ZINC000904926295 637528336 /nfs/dbraw/zinc/52/83/36/637528336.db2.gz SJXDYUNYAFAFTH-AWEZNQCLSA-N 2 0 249.358 1.862 20 0 BDADRP C[C@@H]([NH2+]C[C@@](C)(O)C(F)F)C1=CC[N@H+](C)CC1 ZINC000905202194 637693707 /nfs/dbraw/zinc/69/37/07/637693707.db2.gz GFVBYGGXPDCHNF-BXKDBHETSA-N 2 0 248.317 1.243 20 0 BDADRP O[C@H](C[NH2+][C@@H]1C[C@@H]2CCC[C@H]12)C[NH+]1CCCC1 ZINC000905665039 637875505 /nfs/dbraw/zinc/87/55/05/637875505.db2.gz GGIWRQUBKUTUAH-RFQIPJPRSA-N 2 0 238.375 1.221 20 0 BDADRP [NH3+]C1CC(NCc2cccc3c2OCCCO3)C1 ZINC000906510034 638182213 /nfs/dbraw/zinc/18/22/13/638182213.db2.gz LINSSNYRAPNLPV-UHFFFAOYSA-N 2 0 248.326 1.427 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CNC1CC([NH3+])C1 ZINC000906510879 638183513 /nfs/dbraw/zinc/18/35/13/638183513.db2.gz NQXHXXHDCVLRBL-KPPDAEKUSA-N 2 0 213.369 1.219 20 0 BDADRP Cn1cnc2cc(C[NH2+]C3CC([NH3+])C3)ccc21 ZINC000906510175 638184599 /nfs/dbraw/zinc/18/45/99/638184599.db2.gz PKBDIJGGGGEFBL-UHFFFAOYSA-N 2 0 230.315 1.153 20 0 BDADRP COC(=O)c1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)cc1C ZINC000906519258 638187589 /nfs/dbraw/zinc/18/75/89/638187589.db2.gz WPOSTLSXVSSPDG-HAQNSBGRSA-N 2 0 248.326 1.361 20 0 BDADRP C[C@@H](Cc1ccccc1F)[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC000906518861 638188304 /nfs/dbraw/zinc/18/83/04/638188304.db2.gz SLOWPCHLHJLUDH-DLOVCJGASA-N 2 0 222.307 1.836 20 0 BDADRP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000054626879 639116900 /nfs/dbraw/zinc/11/69/00/639116900.db2.gz LKZHXYPTMFZYCP-YHWZYXNKSA-N 2 0 226.364 1.628 20 0 BDADRP C[C@@H]1CC[C@@H](C[N@H+](C)C2CCC([NH3+])CC2)O1 ZINC000149779902 639136062 /nfs/dbraw/zinc/13/60/62/639136062.db2.gz HBLFLKWNDHSNAF-XVSSEFHLSA-N 2 0 226.364 1.756 20 0 BDADRP [NH3+]Cc1cccc(NC(=O)[C@@H]2C[C@H]([NH3+])[C@H]3C[C@H]32)c1 ZINC000911649460 639703240 /nfs/dbraw/zinc/70/32/40/639703240.db2.gz SAEFKKLMASHQBW-XQHKEYJVSA-N 2 0 245.326 1.067 20 0 BDADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000911831622 639842489 /nfs/dbraw/zinc/84/24/89/639842489.db2.gz LWIAPPFGFHEDIA-GMXVVIOVSA-N 2 0 243.395 1.240 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H]2C[C@@H]2C[NH3+])cc1 ZINC000911845469 639854999 /nfs/dbraw/zinc/85/49/99/639854999.db2.gz LCIBGSFRNUHWGX-HLUHBDAQSA-N 2 0 233.315 1.240 20 0 BDADRP C[C@H]1[C@@H]([NH+](C)C)CCN1CC[NH+]1CCCC1 ZINC000931038232 640034311 /nfs/dbraw/zinc/03/43/11/640034311.db2.gz PGMVLSBJEJFAAM-STQMWFEESA-N 2 0 225.380 1.107 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](CCCF)C[C@@H]2C1 ZINC000931438041 640203205 /nfs/dbraw/zinc/20/32/05/640203205.db2.gz YFBDVLDNONYOMW-MNOVXSKESA-N 2 0 200.301 1.230 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931442124 640205507 /nfs/dbraw/zinc/20/55/07/640205507.db2.gz VLCFXRWZLTUUQN-RFQIPJPRSA-N 2 0 238.375 1.295 20 0 BDADRP Cc1cnccc1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000931441577 640205595 /nfs/dbraw/zinc/20/55/95/640205595.db2.gz KOFYLMFSWPZFEA-CABCVRRESA-N 2 0 245.370 1.774 20 0 BDADRP COCCCC[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931440645 640206667 /nfs/dbraw/zinc/20/66/67/640206667.db2.gz ZKMBCMAUDUTMGS-QWHCGFSZSA-N 2 0 226.364 1.297 20 0 BDADRP Nc1ccnc2c1C[N@H+](CC1(O)CCCC1)CC2 ZINC000931511937 640244127 /nfs/dbraw/zinc/24/41/27/640244127.db2.gz DKWZDMJOJXXFMY-UHFFFAOYSA-N 2 0 247.342 1.327 20 0 BDADRP CN1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@H]1CCCOC1 ZINC000931724886 640338591 /nfs/dbraw/zinc/33/85/91/640338591.db2.gz KFJSNLUOBBHNSW-HZSPNIEDSA-N 2 0 238.375 1.582 20 0 BDADRP CO[C@@H]1CCCC[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000044516828 640399249 /nfs/dbraw/zinc/39/92/49/640399249.db2.gz ZJVNSCKAGFKOGX-ZIAGYGMSSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]1CC[N@H+](CC[C@@H]2CCCC[NH+]2C)CCO1 ZINC000932348973 640489705 /nfs/dbraw/zinc/48/97/05/640489705.db2.gz CWLZMKAEWZITGZ-KBPBESRZSA-N 2 0 240.391 1.972 20 0 BDADRP CC(C)C[C@@H](C[NH+](C)C)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000222962258 640520803 /nfs/dbraw/zinc/52/08/03/640520803.db2.gz PSQJLECAXLHYHP-MCIONIFRSA-N 2 0 241.423 1.822 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H]1CCSC1 ZINC000224621949 640630189 /nfs/dbraw/zinc/63/01/89/640630189.db2.gz IXLJKJWLZKRZTF-QWRGUYRKSA-N 2 0 214.378 1.423 20 0 BDADRP CC[NH+](CC)C[C@@H](C)NC1CC[NH2+]CC1 ZINC000045693472 640638178 /nfs/dbraw/zinc/63/81/78/640638178.db2.gz WMWJBUVJZKIHLN-LLVKDONJSA-N 2 0 213.369 1.058 20 0 BDADRP Cc1nc(CC[NH2+][C@@H]2CCC[NH2+]CC2)cs1 ZINC000226313432 640745736 /nfs/dbraw/zinc/74/57/36/640745736.db2.gz GTGQABQOGKMMLP-LLVKDONJSA-N 2 0 239.388 1.726 20 0 BDADRP Cc1c(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cnn1C ZINC000226299300 640746233 /nfs/dbraw/zinc/74/62/33/640746233.db2.gz KBLWNZRNRPYUCU-NWDGAFQWSA-N 2 0 222.336 1.088 20 0 BDADRP C[N@@H+]1C[C@@H]2C[NH+](C[C@H]3CCCCO3)C[C@]2(C)C1 ZINC000933741583 640757167 /nfs/dbraw/zinc/75/71/67/640757167.db2.gz XQPGNPKFWUPMJS-MCIONIFRSA-N 2 0 238.375 1.439 20 0 BDADRP CC[C@@H](C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)OC ZINC000933734477 640757329 /nfs/dbraw/zinc/75/73/29/640757329.db2.gz TZTNIYBNPTYWQI-RWMBFGLXSA-N 2 0 226.364 1.295 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCc2cnn(C)c2)C1 ZINC000226422547 640762816 /nfs/dbraw/zinc/76/28/16/640762816.db2.gz LKLUOWMHUZADJF-YPMHNXCESA-N 2 0 236.363 1.022 20 0 BDADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCCCCCO ZINC000227257736 640822436 /nfs/dbraw/zinc/82/24/36/640822436.db2.gz VQFBFKWTHTVWJW-NWDGAFQWSA-N 2 0 214.353 1.351 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(CO)c1 ZINC000227456445 640834229 /nfs/dbraw/zinc/83/42/29/640834229.db2.gz NTZCOEQGXMMQJZ-GJZGRUSLSA-N 2 0 248.370 1.786 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000229255351 640940212 /nfs/dbraw/zinc/94/02/12/640940212.db2.gz FGXJMZWAERCDLY-NEPJUHHUSA-N 2 0 212.337 1.226 20 0 BDADRP CCC(CC)(CO)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000087647101 640956360 /nfs/dbraw/zinc/95/63/60/640956360.db2.gz QQPLNARKHLRPRD-LLVKDONJSA-N 2 0 214.353 1.127 20 0 BDADRP C[NH+]1CCC(CC[NH2+][C@H]2CCC[NH2+]CC2)CC1 ZINC000229938332 640997254 /nfs/dbraw/zinc/99/72/54/640997254.db2.gz KCQUCWLSGWGJEI-AWEZNQCLSA-N 3 0 239.407 1.450 20 0 BDADRP C[C@H](CC[S@@](C)=O)[NH2+]CC1CC[NH+](C)CC1 ZINC000230088983 641025705 /nfs/dbraw/zinc/02/57/05/641025705.db2.gz IEBZPLDBASLGLS-BDJLRTHQSA-N 2 0 246.420 1.075 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000230687850 641087249 /nfs/dbraw/zinc/08/72/49/641087249.db2.gz AHAILEMNOCMUBN-WOPDTQHZSA-N 2 0 214.353 1.255 20 0 BDADRP Cn1cc(CC[N@@H+]2CCC[C@H](CC[NH3+])C2)cn1 ZINC000230774832 641093094 /nfs/dbraw/zinc/09/30/94/641093094.db2.gz IJZGXGRXAAFFIR-GFCCVEGCSA-N 2 0 236.363 1.023 20 0 BDADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)CCO)C1 ZINC000779340191 641189264 /nfs/dbraw/zinc/18/92/64/641189264.db2.gz HJKHRHKHGBTXJA-RYUDHWBXSA-N 2 0 214.353 1.079 20 0 BDADRP Cc1noc(C)c1CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000231671005 641192710 /nfs/dbraw/zinc/19/27/10/641192710.db2.gz FCLPNGNOPQTBQA-GFCCVEGCSA-N 2 0 237.347 1.865 20 0 BDADRP O[C@H](C[NH2+]CC1CC[NH2+]CC1)c1ccsc1 ZINC000231979808 641225790 /nfs/dbraw/zinc/22/57/90/641225790.db2.gz XJUNMOBVUCGGHP-GFCCVEGCSA-N 2 0 240.372 1.371 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H](O)CC2CCCC2)CC[C@@H]1[NH3+] ZINC000232121860 641242342 /nfs/dbraw/zinc/24/23/42/641242342.db2.gz PPNUBXAHVAWBPK-XBFCOCLRSA-N 2 0 240.391 1.597 20 0 BDADRP C[N@H+](CCC[NH3+])C[C@H](O)CC1CCCC1 ZINC000232148807 641249542 /nfs/dbraw/zinc/24/95/42/641249542.db2.gz NFNUGZYOSVYTMP-GFCCVEGCSA-N 2 0 214.353 1.208 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)NC(=O)CC[NH2+]C ZINC000043599790 641568734 /nfs/dbraw/zinc/56/87/34/641568734.db2.gz DDKGBNRLTFBEBU-LBPRGKRZSA-N 2 0 243.395 1.223 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CC1(CCO)CC1 ZINC000156741656 641610247 /nfs/dbraw/zinc/61/02/47/641610247.db2.gz CVKCXMJDZZCYSN-NEPJUHHUSA-N 2 0 226.364 1.256 20 0 BDADRP OCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000090079516 641696049 /nfs/dbraw/zinc/69/60/49/641696049.db2.gz FRUWOLCPYSGRER-RDBSUJKOSA-N 2 0 238.375 1.364 20 0 BDADRP CC[C@@H]1CCCC[N@@H+]1CCOCC[NH3+] ZINC000032009952 641706937 /nfs/dbraw/zinc/70/69/37/641706937.db2.gz NOIHJEXVAYIGOR-LLVKDONJSA-N 2 0 200.326 1.226 20 0 BDADRP C[NH+](C)CCSC[C@@H]1CCC[N@@H+]1C ZINC000917193753 642028846 /nfs/dbraw/zinc/02/88/46/642028846.db2.gz LDYYVQIRIJKRTQ-JTQLQIEISA-N 2 0 202.367 1.375 20 0 BDADRP CCC[C@@H](C)C[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405832176 642500045 /nfs/dbraw/zinc/50/00/45/642500045.db2.gz BHRWICXSWOPPTF-JHJVBQTASA-N 2 0 228.380 1.718 20 0 BDADRP C[NH+](C)C1(CNC(=[NH2+])NC2CCCC2)CCC1 ZINC000097925060 642641032 /nfs/dbraw/zinc/64/10/32/642641032.db2.gz FAUOHMJQPBCIJX-UHFFFAOYSA-N 2 0 238.379 1.527 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH2+]CC2)C1(C)C ZINC000233782127 642694990 /nfs/dbraw/zinc/69/49/90/642694990.db2.gz DCYAHDZGSJRFIQ-VXGBXAGGSA-N 2 0 226.364 1.532 20 0 BDADRP CC[C@H]1C[N@H+](C[C@@]2(C)CCC[NH2+]C2)CCCO1 ZINC000305915235 642711478 /nfs/dbraw/zinc/71/14/78/642711478.db2.gz FUSYZYKRNSWOFM-KBPBESRZSA-N 2 0 240.391 1.877 20 0 BDADRP CN(CC[NH3+])Cc1ccc2c(c1)CCC2 ZINC000070621887 643048566 /nfs/dbraw/zinc/04/85/66/643048566.db2.gz APGXKFGNVOGUOK-UHFFFAOYSA-N 2 0 204.317 1.566 20 0 BDADRP CC(C)[C@@H](CNC(=[NH2+])NC1CC1)[NH+]1CCCC1 ZINC000066245127 643165377 /nfs/dbraw/zinc/16/53/77/643165377.db2.gz AXGXTDHPIRTZFB-GFCCVEGCSA-N 2 0 238.379 1.174 20 0 BDADRP C[N@@H+]1CCN(CC[NH2+]C(C)(C)C)CC1(C)C ZINC000082478059 643319177 /nfs/dbraw/zinc/31/91/77/643319177.db2.gz QJQDQOJJTPQRNI-UHFFFAOYSA-N 2 0 227.396 1.401 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CC[N@H+](C)C(C)(C)C1 ZINC000082485464 643320958 /nfs/dbraw/zinc/32/09/58/643320958.db2.gz XVIXYQYWJITSHT-GFCCVEGCSA-N 2 0 227.396 1.386 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccs1 ZINC000082560498 643343234 /nfs/dbraw/zinc/34/32/34/643343234.db2.gz NDAFLDYXHKCVGS-ZJUUUORDSA-N 2 0 210.346 1.693 20 0 BDADRP C[C@H]([NH2+]CCCCCC[NH3+])[C@H]1CCCC[NH2+]1 ZINC000843344397 643343957 /nfs/dbraw/zinc/34/39/57/643343957.db2.gz YYBXALKYEBPCJM-QWHCGFSZSA-N 3 0 227.396 1.626 20 0 BDADRP OC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC[NH2+]C1CC1 ZINC000082598212 643354124 /nfs/dbraw/zinc/35/41/24/643354124.db2.gz NFYJWIGQIBQAQK-FUNVUKJBSA-N 2 0 224.348 1.116 20 0 BDADRP CCC[N@H+](CC)CCNC(=[NH2+])N(CC)CC ZINC000083052929 643403901 /nfs/dbraw/zinc/40/39/01/643403901.db2.gz ZOGZLGYLEWAHGZ-UHFFFAOYSA-N 2 0 228.384 1.375 20 0 BDADRP C1SCC1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000307279701 643428662 /nfs/dbraw/zinc/42/86/62/643428662.db2.gz XPJCZGMMLGDIPQ-MWLCHTKSSA-N 2 0 212.362 1.318 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1nccs1 ZINC000085016153 643524223 /nfs/dbraw/zinc/52/42/23/643524223.db2.gz JDVYBYDDFMSCQG-AEJSXWLSSA-N 2 0 225.361 1.921 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCOCC(F)(F)F ZINC000084222081 643650997 /nfs/dbraw/zinc/65/09/97/643650997.db2.gz LUSSOFCNCGCDJO-RKDXNWHRSA-N 2 0 240.269 1.282 20 0 BDADRP C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C[C@@H]1CCCOC1 ZINC000085015965 643678573 /nfs/dbraw/zinc/67/85/73/643678573.db2.gz KTHNHDMOEJDSFY-AGIUHOORSA-N 2 0 226.364 1.472 20 0 BDADRP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H](C)S1 ZINC000085016071 643681257 /nfs/dbraw/zinc/68/12/57/643681257.db2.gz XHFGPQMUOBLBCM-KXNHARMFSA-N 2 0 228.405 1.940 20 0 BDADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)[C@H]1CCCO1 ZINC000086725811 644167546 /nfs/dbraw/zinc/16/75/46/644167546.db2.gz LDAYFXSYYMANCO-HBIQZDMRSA-N 2 0 212.337 1.413 20 0 BDADRP CCc1onc(C)c1CNC1CC[NH+](C)CC1 ZINC000922987267 644216201 /nfs/dbraw/zinc/21/62/01/644216201.db2.gz CTAYTPRPSBVWIH-UHFFFAOYSA-N 2 0 237.347 1.729 20 0 BDADRP CC1(NC(=O)CCCCCC[NH3+])CC[NH2+]CC1 ZINC000193356157 644236031 /nfs/dbraw/zinc/23/60/31/644236031.db2.gz JZPWDVFGHDGKHK-UHFFFAOYSA-N 2 0 241.379 1.154 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC000923280938 644314955 /nfs/dbraw/zinc/31/49/55/644314955.db2.gz KHKGPZYFMKSRQK-ZWNOBZJWSA-N 2 0 238.306 1.140 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)CC[C@H]1[NH3+] ZINC000923291429 644318004 /nfs/dbraw/zinc/31/80/04/644318004.db2.gz SGYSPEZMXQWBAF-BPLDGKMQSA-N 2 0 248.370 1.259 20 0 BDADRP Cc1ccc([C@H](O)C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000923286846 644320432 /nfs/dbraw/zinc/32/04/32/644320432.db2.gz ARGXGGDRKJTYEO-VHDGCEQUSA-N 2 0 248.370 1.698 20 0 BDADRP CC(C)CC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000923287385 644321302 /nfs/dbraw/zinc/32/13/02/644321302.db2.gz DROOUVPBZRZJJV-AGIUHOORSA-N 2 0 228.380 1.453 20 0 BDADRP CCCCCC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000923289792 644322257 /nfs/dbraw/zinc/32/22/57/644322257.db2.gz LZJFASCAHNUPAJ-MELADBBJSA-N 2 0 242.407 1.987 20 0 BDADRP CCCCCC[C@H](O)C[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000923288748 644323385 /nfs/dbraw/zinc/32/33/85/644323385.db2.gz CEFJUKNVQGSCEX-KGLIPLIRSA-N 2 0 242.407 1.859 20 0 BDADRP CCC[NH+](CCC)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923300032 644327264 /nfs/dbraw/zinc/32/72/64/644327264.db2.gz MMSZVYRQXVEJTL-LBPRGKRZSA-N 2 0 226.364 1.487 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](C[C@H](O)c2ccc(C)cc2)C1 ZINC000923290969 644327414 /nfs/dbraw/zinc/32/74/14/644327414.db2.gz PSNHWMXEMYKGLG-HIFRSBDPSA-N 2 0 248.370 1.570 20 0 BDADRP C[N@H+](CCC[NH2+]C1CC1)C1CCC([NH3+])CC1 ZINC000923294743 644333291 /nfs/dbraw/zinc/33/32/91/644333291.db2.gz OURVOAHPYYGPAJ-UHFFFAOYSA-N 3 0 225.380 1.330 20 0 BDADRP CC[N@H+](Cc1ccccc1C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923303017 644339684 /nfs/dbraw/zinc/33/96/84/644339684.db2.gz GZRROOLLADFSMO-KKUMJFAQSA-N 2 0 248.370 1.668 20 0 BDADRP C[C@@H]1CC[C@H](C)[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923317929 644342843 /nfs/dbraw/zinc/34/28/43/644342843.db2.gz HEORFABTWMTCKF-GRYCIOLGSA-N 2 0 224.348 1.238 20 0 BDADRP Cc1ccc([C@H](O)C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000923330773 644348765 /nfs/dbraw/zinc/34/87/65/644348765.db2.gz IOCNDTFWJVXEMD-AEGPPILISA-N 2 0 248.370 1.698 20 0 BDADRP CC(C)[NH2+]C1CCN(CCC[NH2+]C2CC2)CC1 ZINC000923325927 644351091 /nfs/dbraw/zinc/35/10/91/644351091.db2.gz GYXQNSCAVDKRHH-UHFFFAOYSA-N 2 0 239.407 1.591 20 0 BDADRP C[NH2+]CCC1CC[NH+](C[C@H](O)CSC)CC1 ZINC000923325793 644351992 /nfs/dbraw/zinc/35/19/92/644351992.db2.gz CTTMZGYFYSCWHE-LBPRGKRZSA-N 2 0 246.420 1.032 20 0 BDADRP CCCCCC[C@H](O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000923333862 644353597 /nfs/dbraw/zinc/35/35/97/644353597.db2.gz YMHSPJZXRXWRQT-MJBXVCDLSA-N 2 0 242.407 1.987 20 0 BDADRP CN(CCC[NH2+]C1CC1)[C@@H]1CCC[NH2+]CC1 ZINC000923333976 644353751 /nfs/dbraw/zinc/35/37/51/644353751.db2.gz DRNRSMFQGZCRGP-CYBMUJFWSA-N 2 0 225.380 1.202 20 0 BDADRP CCc1onc(C)c1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000923331925 644360782 /nfs/dbraw/zinc/36/07/82/644360782.db2.gz JKADCPABCDQIHT-CYZMBNFOSA-N 2 0 249.358 1.715 20 0 BDADRP C[C@@H](NC(C[NH3+])C[NH3+])c1ccc2ccccc2c1 ZINC000923351388 644366544 /nfs/dbraw/zinc/36/65/44/644366544.db2.gz KLCLRVUWVQJENE-LLVKDONJSA-N 2 0 243.354 1.776 20 0 BDADRP CC[C@H](O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000923356278 644371993 /nfs/dbraw/zinc/37/19/93/644371993.db2.gz GWBOUMXXLCFTQM-OLZOCXBDSA-N 2 0 226.364 1.079 20 0 BDADRP CCSc1ccccc1CNC(C[NH3+])C[NH3+] ZINC000923357246 644376153 /nfs/dbraw/zinc/37/61/53/644376153.db2.gz VJOYYVBZTFMTRS-UHFFFAOYSA-N 2 0 239.388 1.174 20 0 BDADRP CC(C)CC[C@H](O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000923368345 644381463 /nfs/dbraw/zinc/38/14/63/644381463.db2.gz AWJKUZHNOYPQIG-QWHCGFSZSA-N 2 0 242.407 1.761 20 0 BDADRP C[C@@H]1CN(CCC[NH2+]C2CC2)[C@@H](C)C[N@@H+]1C ZINC000923370157 644382306 /nfs/dbraw/zinc/38/23/06/644382306.db2.gz DDXCQLFFDCPWIV-NEPJUHHUSA-N 2 0 225.380 1.153 20 0 BDADRP CC[C@@H]1CC[C@@H](C)[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923373349 644388504 /nfs/dbraw/zinc/38/85/04/644388504.db2.gz MXHPYMONWYVEEY-JHJVBQTASA-N 2 0 238.375 1.628 20 0 BDADRP C[C@H]1CCCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923373606 644390235 /nfs/dbraw/zinc/39/02/35/644390235.db2.gz QNQRPPLTVMODPN-QWHCGFSZSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1)c1ccccn1 ZINC000923376453 644392613 /nfs/dbraw/zinc/39/26/13/644392613.db2.gz AXEVGETUNHYUTL-RYUDHWBXSA-N 2 0 247.342 1.111 20 0 BDADRP CSC[C@H](O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000923383488 644395942 /nfs/dbraw/zinc/39/59/42/644395942.db2.gz SIJNEXYYHQEOHL-WHOHXGKFSA-N 2 0 246.420 1.016 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC000923384245 644396449 /nfs/dbraw/zinc/39/64/49/644396449.db2.gz VIPNVLIBEFZNLE-MGPQQGTHSA-N 2 0 234.343 1.580 20 0 BDADRP [NH3+]CC12CCC(CC1)CN2CCC[NH2+]C1CC1 ZINC000923393768 644401158 /nfs/dbraw/zinc/40/11/58/644401158.db2.gz XPJUCCVIMQTZKO-UHFFFAOYSA-N 2 0 237.391 1.332 20 0 BDADRP FC1(F)CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923402359 644407501 /nfs/dbraw/zinc/40/75/01/644407501.db2.gz FKOJVUMKHJHJOD-SNVBAGLBSA-N 2 0 246.301 1.096 20 0 BDADRP CCc1onc(C)c1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000923412269 644413567 /nfs/dbraw/zinc/41/35/67/644413567.db2.gz QQRNKRCQTKOHDP-GXSJLCMTSA-N 2 0 237.347 1.572 20 0 BDADRP C/C=C\C[C@@H]1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923413612 644415573 /nfs/dbraw/zinc/41/55/73/644415573.db2.gz WGRMDSWATWPQKN-UOVDFCGCSA-N 2 0 238.375 1.515 20 0 BDADRP CC(C)CC[C@@H](O)C[N@@H+]1CC[NH2+]CCC1(C)C ZINC000923413877 644416435 /nfs/dbraw/zinc/41/64/35/644416435.db2.gz JJPKBRQHAATNIF-CYBMUJFWSA-N 2 0 242.407 1.857 20 0 BDADRP C[N@@H+]1CC[C@@H]2CCN(CCC[NH2+]C3CC3)[C@@H]2C1 ZINC000923432673 644426357 /nfs/dbraw/zinc/42/63/57/644426357.db2.gz PAAVEXXDZXSPNE-TZMCWYRMSA-N 2 0 237.391 1.155 20 0 BDADRP C[NH+]1CCC(C[NH2+]CCC(C)(C)O)CC1 ZINC000086235700 644458709 /nfs/dbraw/zinc/45/87/09/644458709.db2.gz WXVUWWPIIAOZQS-UHFFFAOYSA-N 2 0 214.353 1.079 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CCCCO2)CC[C@H]1C[NH3+] ZINC000923489848 644464937 /nfs/dbraw/zinc/46/49/37/644464937.db2.gz MECNTGHIISYAEK-FRRDWIJNSA-N 2 0 226.364 1.472 20 0 BDADRP Cc1cc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c(C)nn1 ZINC000923490566 644465692 /nfs/dbraw/zinc/46/56/92/644465692.db2.gz DNLNAHJCOMEJAH-GXFFZTMASA-N 2 0 248.374 1.510 20 0 BDADRP Cc1nc(C)c(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)o1 ZINC000923490505 644465821 /nfs/dbraw/zinc/46/58/21/644465821.db2.gz NYRWGTZHCLTXRK-SKDRFNHKSA-N 2 0 237.347 1.708 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C2CCC(O)CC2)C1 ZINC000086401873 644466783 /nfs/dbraw/zinc/46/67/83/644466783.db2.gz FGUDLXUDTWXFCL-UZEXVOJHSA-N 2 0 212.337 1.149 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cccnc2)C1 ZINC000086402370 644467256 /nfs/dbraw/zinc/46/72/56/644467256.db2.gz PXXHYJARKNJULX-NWDGAFQWSA-N 2 0 205.305 1.441 20 0 BDADRP COc1cc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)on1 ZINC000923492922 644467848 /nfs/dbraw/zinc/46/78/48/644467848.db2.gz ZMHBXMOQILXSKJ-NXEZZACHSA-N 2 0 239.319 1.100 20 0 BDADRP C[C@H]1C[N@H+](Cc2cccnc2)CC[C@@H]1C[NH3+] ZINC000923501993 644469571 /nfs/dbraw/zinc/46/95/71/644469571.db2.gz VFHCPKDVZLWQPY-WCQYABFASA-N 2 0 219.332 1.498 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1C[NH3+] ZINC000923499462 644472541 /nfs/dbraw/zinc/47/25/41/644472541.db2.gz KZHAQRZULDTPCC-RYUDHWBXSA-N 2 0 219.332 1.498 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccon2)CC[C@H]1C[NH3+] ZINC000923500776 644473546 /nfs/dbraw/zinc/47/35/46/644473546.db2.gz PBPZDPRCDLLGEX-UWVGGRQHSA-N 2 0 209.293 1.091 20 0 BDADRP Cc1cnc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)o1 ZINC000923500303 644473634 /nfs/dbraw/zinc/47/36/34/644473634.db2.gz NHVRKPULMVTGSL-MWLCHTKSSA-N 2 0 223.320 1.400 20 0 BDADRP C[C@H]1C[N@H+](CCc2cccnc2)CC[C@H]1C[NH3+] ZINC000923500256 644473970 /nfs/dbraw/zinc/47/39/70/644473970.db2.gz MWNHBKZQTJTHKP-JSGCOSHPSA-N 2 0 233.359 1.541 20 0 BDADRP CCSCC[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923500922 644475161 /nfs/dbraw/zinc/47/51/61/644475161.db2.gz RXVCPKWUQUUORN-QWRGUYRKSA-N 2 0 216.394 1.656 20 0 BDADRP FC1(F)CC[C@@H](C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000923516346 644479784 /nfs/dbraw/zinc/47/97/84/644479784.db2.gz ZXQTXKQBNJICBD-GRYCIOLGSA-N 2 0 244.329 1.963 20 0 BDADRP Cc1ncccc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518931 644484078 /nfs/dbraw/zinc/48/40/78/644484078.db2.gz GPCHZPBIEYXSJL-UONOGXRCSA-N 2 0 231.343 1.431 20 0 BDADRP COC[C@H]1COCC[N@@H+]1CCCCCCC[NH3+] ZINC000923557009 644500735 /nfs/dbraw/zinc/50/07/35/644500735.db2.gz IXPVYJOPMVLMPI-ZDUSSCGKSA-N 2 0 244.379 1.243 20 0 BDADRP [NH3+]C1CCN(CC[NH2+]C2CCCCCC2)CC1 ZINC000092721295 644667007 /nfs/dbraw/zinc/66/70/07/644667007.db2.gz KSJBDOFUUFZDTG-UHFFFAOYSA-N 2 0 239.407 1.722 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCC=CO2)C1 ZINC000248886216 644703871 /nfs/dbraw/zinc/70/38/71/644703871.db2.gz MEXJAPOOADEFHW-QWHCGFSZSA-N 2 0 224.348 1.563 20 0 BDADRP C[N@H+](CC[C@H]1CC[NH2+]C1)C[C@H]1CCCO1 ZINC000249952148 644745115 /nfs/dbraw/zinc/74/51/15/644745115.db2.gz ACHTYNPLBYCOLM-VXGBXAGGSA-N 2 0 212.337 1.097 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000250058165 644747730 /nfs/dbraw/zinc/74/77/30/644747730.db2.gz ZEAGHRDPZUBYFT-MELADBBJSA-N 2 0 241.423 1.824 20 0 BDADRP c1cn(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cn1 ZINC000250249956 644749953 /nfs/dbraw/zinc/74/99/53/644749953.db2.gz OQSMGLOUNNHOLZ-BFHYXJOUSA-N 2 0 248.374 1.393 20 0 BDADRP C[N@H+](C[C@H]1CCOC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250388679 644756291 /nfs/dbraw/zinc/75/62/91/644756291.db2.gz KOMBDRFDMLUDRU-FKJOKYEKSA-N 2 0 224.348 1.238 20 0 BDADRP CCOCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250386764 644757035 /nfs/dbraw/zinc/75/70/35/644757035.db2.gz KQPRSWXKQFCHCR-YNEHKIRRSA-N 2 0 226.364 1.533 20 0 BDADRP CO[C@@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000250598270 644769251 /nfs/dbraw/zinc/76/92/51/644769251.db2.gz JHMUZKBZONZGNM-YEKKKDRXSA-N 2 0 238.375 1.769 20 0 BDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)OCCC[NH+](C)C ZINC000792202744 644791511 /nfs/dbraw/zinc/79/15/11/644791511.db2.gz FSKCZRQZXQRZNL-VXGBXAGGSA-N 2 0 242.363 1.354 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000251187410 644795576 /nfs/dbraw/zinc/79/55/76/644795576.db2.gz ADVYWARKJGOFNL-SRVKXCTJSA-N 2 0 214.353 1.255 20 0 BDADRP C[C@@H]1C[N@H+](CCc2cccs2)CC[C@H]1[NH3+] ZINC000251891184 644830184 /nfs/dbraw/zinc/83/01/84/644830184.db2.gz VPECSFKSULBOID-ZYHUDNBSSA-N 2 0 224.373 1.960 20 0 BDADRP C[C@@H]1CCC[C@](CN[C@H]2CC[NH2+]C2)([NH+](C)C)C1 ZINC000251954370 644833041 /nfs/dbraw/zinc/83/30/41/644833041.db2.gz XBXNEEQNHSHKOY-RDBSUJKOSA-N 2 0 239.407 1.448 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1NC(=O)CCCCCC[NH3+] ZINC000841855357 645230358 /nfs/dbraw/zinc/23/03/58/645230358.db2.gz DYSWGNXMALYFOA-LLVKDONJSA-N 2 0 241.379 1.152 20 0 BDADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)C(C)(C)CO ZINC000926561015 645265287 /nfs/dbraw/zinc/26/52/87/645265287.db2.gz WFJCDYSRTADETK-GFCCVEGCSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@@H]1OC[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)[C@@H]1C ZINC000926566884 645286423 /nfs/dbraw/zinc/28/64/23/645286423.db2.gz GGYMALMQRRVNEN-UHIISALHSA-N 2 0 245.326 1.847 20 0 BDADRP CC(C)C[N@H+](C)CCC[NH2+][C@H]1COC[C@H]1C ZINC000926644648 645332230 /nfs/dbraw/zinc/33/22/30/645332230.db2.gz IAIJHHBJMKQQJP-OLZOCXBDSA-N 2 0 228.380 1.589 20 0 BDADRP [NH3+]CC1(CC[NH2+][C@H]2CC[C@H]2C2CC2)CC1 ZINC000844919262 645349163 /nfs/dbraw/zinc/34/91/63/645349163.db2.gz DAXTXBGEVDHWKN-RYUDHWBXSA-N 2 0 208.349 1.894 20 0 BDADRP C/C=C/C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000926771099 645416568 /nfs/dbraw/zinc/41/65/68/645416568.db2.gz YVTCGJGKYCVXCC-RXVMTUIBSA-N 2 0 238.375 1.794 20 0 BDADRP C[N@@H+]1CC[C@@H](N[C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925487226 645463843 /nfs/dbraw/zinc/46/38/43/645463843.db2.gz LYJLVFDMTFCKSB-FVCCEPFGSA-N 2 0 237.391 1.057 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000927015017 645514211 /nfs/dbraw/zinc/51/42/11/645514211.db2.gz DUMZDDXJBXTDAS-FPMFFAJLSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@H]1COC[C@H](C)C1[NH2+]CC(C)(C)C[NH+](C)C ZINC000924525273 646046113 /nfs/dbraw/zinc/04/61/13/646046113.db2.gz FBFKYUHTDGYUKA-RYUDHWBXSA-N 2 0 242.407 1.835 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)C(C)(C)CO ZINC000924618380 646078919 /nfs/dbraw/zinc/07/89/19/646078919.db2.gz ZAUFOGGWBJAGIW-LBPRGKRZSA-N 2 0 230.396 1.713 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+]C1[C@H](C)COC[C@H]1C ZINC000924616681 646079227 /nfs/dbraw/zinc/07/92/27/646079227.db2.gz FMJDBTJEFXCBFB-CHWSQXEVSA-N 2 0 242.407 1.977 20 0 BDADRP C1CN2CCCC[C@H]2[C@H]1[NH2+][C@@H]1CN2C[C@@H]1CCC2 ZINC000924682858 646090731 /nfs/dbraw/zinc/09/07/31/646090731.db2.gz XXTQTIRXPCXCSC-XQLPTFJDSA-N 2 0 249.402 1.297 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C(C)(C)CO ZINC000924697318 646091311 /nfs/dbraw/zinc/09/13/11/646091311.db2.gz KTERKOAZRBAXJX-AVGNSLFASA-N 2 0 240.391 1.610 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@H]1C[NH+]2C[C@@H]1CCC2 ZINC000924916455 646132240 /nfs/dbraw/zinc/13/22/40/646132240.db2.gz LPLUWQDXKSKKHJ-IHRRRGAJSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@H]1COC[C@H](C)C1[NH2+]CC1CC[NH+](C)CC1 ZINC000924963538 646144661 /nfs/dbraw/zinc/14/46/61/646144661.db2.gz KQGKAYQKWZLIML-RYUDHWBXSA-N 2 0 240.391 1.589 20 0 BDADRP C[C@@H]1COC[C@@H](C)C1[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000925012809 646158691 /nfs/dbraw/zinc/15/86/91/646158691.db2.gz WQYVNWMURXQGKN-UPJWGTAASA-N 2 0 240.391 1.589 20 0 BDADRP CC[C@@H]1COC[C@H]1[NH2+]C[C@@H]1CCCn2ccnc21 ZINC000925170106 646199576 /nfs/dbraw/zinc/19/95/76/646199576.db2.gz KRXZZVDQRCTMAC-FRRDWIJNSA-N 2 0 249.358 1.775 20 0 BDADRP CC[N@@H+]1CC[C@H](CN[C@H]2CC[NH2+]C2(C)C)C1 ZINC000925471873 646289608 /nfs/dbraw/zinc/28/96/08/646289608.db2.gz BLZOWIMTOAWLKU-NEPJUHHUSA-N 2 0 225.380 1.058 20 0 BDADRP COC[C@H](C)C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925480393 646292587 /nfs/dbraw/zinc/29/25/87/646292587.db2.gz JZLGNGVJLRKDCG-NDBYEHHHSA-N 2 0 240.391 1.635 20 0 BDADRP CC1(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)COC1 ZINC000925483456 646295353 /nfs/dbraw/zinc/29/53/53/646295353.db2.gz SXLVGZZTGRUTAD-MNOVXSKESA-N 2 0 226.364 1.519 20 0 BDADRP Cc1cc(CN[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)on1 ZINC000925490060 646298498 /nfs/dbraw/zinc/29/84/98/646298498.db2.gz AITYRILEJVIVPQ-WDEREUQCSA-N 2 0 237.347 1.979 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925492007 646299153 /nfs/dbraw/zinc/29/91/53/646299153.db2.gz GRIMCTLLCQBIOV-ZDUSSCGKSA-N 3 0 237.391 1.202 20 0 BDADRP Cc1cc(CN[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)on1 ZINC000925490057 646300108 /nfs/dbraw/zinc/30/01/08/646300108.db2.gz AITYRILEJVIVPQ-MNOVXSKESA-N 2 0 237.347 1.979 20 0 BDADRP c1cncc(OCCN[C@@H]2CC[NH2+]C23CCC3)c1 ZINC000925488488 646300143 /nfs/dbraw/zinc/30/01/43/646300143.db2.gz JGNABGHJZSDLJU-CYBMUJFWSA-N 2 0 247.342 1.335 20 0 BDADRP C1CC1[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925492830 646300181 /nfs/dbraw/zinc/30/01/81/646300181.db2.gz IIYQQHLOCHWNMW-QWHCGFSZSA-N 2 0 208.349 1.907 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CCCn1ccnc1 ZINC000925496114 646301616 /nfs/dbraw/zinc/30/16/16/646301616.db2.gz XTKSRPLBNDMEDG-LLVKDONJSA-N 2 0 222.336 1.003 20 0 BDADRP COCCC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925497018 646302508 /nfs/dbraw/zinc/30/25/08/646302508.db2.gz ZMCAFSAPWIMMHU-GHMZBOCLSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@@H](CN[C@@H]1CC[NH2+]C1(C)C)[N@H+](C)C1CC1 ZINC000925496296 646302561 /nfs/dbraw/zinc/30/25/61/646302561.db2.gz PZSQRZBCHMYRDY-CMPLNLGQSA-N 2 0 225.380 1.199 20 0 BDADRP C[N@H+](CCN[C@@H]1CC[NH2+]C1(C)C)C1CCCC1 ZINC000925499081 646303493 /nfs/dbraw/zinc/30/34/93/646303493.db2.gz MMEQKHADFZCGEC-CYBMUJFWSA-N 2 0 239.407 1.591 20 0 BDADRP O[C@@H]1CCC[C@H]([NH2+][C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925505693 646306987 /nfs/dbraw/zinc/30/69/87/646306987.db2.gz UMLIIDAXAPJOAF-XQQFMLRXSA-N 2 0 238.375 1.554 20 0 BDADRP C[C@@H](C[NH2+][C@H]1CC[NH2+]C1(C)C)C[C@H](C)O ZINC000925511467 646308613 /nfs/dbraw/zinc/30/86/13/646308613.db2.gz NNMSRXDEWWTNNQ-VWYCJHECSA-N 2 0 214.353 1.124 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOC2CC2)C[C@H]1C ZINC000929783030 646309315 /nfs/dbraw/zinc/30/93/15/646309315.db2.gz YHRRUZBNEYEBEK-OLZOCXBDSA-N 2 0 240.391 1.970 20 0 BDADRP CC(C)COCCC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925516768 646310530 /nfs/dbraw/zinc/31/05/30/646310530.db2.gz FKDYRHLYAQQLHV-GFCCVEGCSA-N 2 0 228.380 1.779 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)C(C)(C)C ZINC000925525929 646317529 /nfs/dbraw/zinc/31/75/29/646317529.db2.gz GIMULOBUXAJPQA-IJLUTSLNSA-N 2 0 240.391 1.907 20 0 BDADRP CO[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)C(C)(C)C ZINC000925525927 646318247 /nfs/dbraw/zinc/31/82/47/646318247.db2.gz GIMULOBUXAJPQA-GRYCIOLGSA-N 2 0 240.391 1.907 20 0 BDADRP CC1(C)[C@@H]([NH2+][C@H]2CCCOC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925549502 646326096 /nfs/dbraw/zinc/32/60/96/646326096.db2.gz LTVYYYCUOUSREG-RNJOBUHISA-N 2 0 238.375 1.532 20 0 BDADRP C[C@@H]1CCCC[N@@H+]1CCN[C@H]1CC[NH2+]C1(C)C ZINC000925550453 646329606 /nfs/dbraw/zinc/32/96/06/646329606.db2.gz MPVBHHYCGLSLAZ-OLZOCXBDSA-N 2 0 239.407 1.591 20 0 BDADRP CC(C)[N@H+](C)CCN[C@@H]1CC[NH2+]C12CCC2 ZINC000925558361 646332930 /nfs/dbraw/zinc/33/29/30/646332930.db2.gz QSLRPLSVAGHMTM-GFCCVEGCSA-N 2 0 225.380 1.201 20 0 BDADRP C(C1CC1)[N@@H+]1CC[C@H](N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000925557810 646333166 /nfs/dbraw/zinc/33/31/66/646333166.db2.gz QPUDUVZXPWFQTE-KBPBESRZSA-N 2 0 249.402 1.345 20 0 BDADRP CCOCC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925559792 646335329 /nfs/dbraw/zinc/33/53/29/646335329.db2.gz CPUSWAYLDKRMJA-MNOVXSKESA-N 2 0 214.353 1.519 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCc3n[nH]cc3C2)C12CCC2 ZINC000925582519 646346506 /nfs/dbraw/zinc/34/65/06/646346506.db2.gz GNLRBWPXAAVBOR-CYZMBNFOSA-N 2 0 246.358 1.127 20 0 BDADRP CC[C@H](CN[C@@H]1CCC[NH2+][C@@H]1C)[NH+]1CCCC1 ZINC000925606334 646358493 /nfs/dbraw/zinc/35/84/93/646358493.db2.gz NHHPYKTYOHSYFR-MGPQQGTHSA-N 2 0 239.407 1.591 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+][C@@H]2C=C[C@H](CO)C2)C1 ZINC000925614488 646363042 /nfs/dbraw/zinc/36/30/42/646363042.db2.gz JJZJYQIMGYVPRP-RVMXOQNASA-N 2 0 238.375 1.419 20 0 BDADRP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)[C@H]1CCCO1 ZINC000925626287 646372102 /nfs/dbraw/zinc/37/21/02/646372102.db2.gz PJBJDEDSXMOKRK-UMSGYPCISA-N 2 0 238.375 1.804 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925631081 646375977 /nfs/dbraw/zinc/37/59/77/646375977.db2.gz UMGMKVDLHOUBJD-XQQFMLRXSA-N 2 0 242.407 1.891 20 0 BDADRP COC[C@H](C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)OC ZINC000925631538 646376243 /nfs/dbraw/zinc/37/62/43/646376243.db2.gz HYYOWOBVTBCHIT-SRVKXCTJSA-N 2 0 244.379 1.143 20 0 BDADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[NH2+]C2(C)C)CCO1 ZINC000925638277 646383073 /nfs/dbraw/zinc/38/30/73/646383073.db2.gz ZNNXYKSKXISDPI-JHJVBQTASA-N 2 0 240.391 1.922 20 0 BDADRP OCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925644539 646384187 /nfs/dbraw/zinc/38/41/87/646384187.db2.gz NELWLBQSPXEDCP-AVGNSLFASA-N 2 0 238.375 1.412 20 0 BDADRP CO[C@H](C)C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925645209 646386559 /nfs/dbraw/zinc/38/65/59/646386559.db2.gz OSFXFJSYYKNPEP-KWCYVHTRSA-N 2 0 240.391 1.779 20 0 BDADRP CC[C@@H](CO)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925645657 646386716 /nfs/dbraw/zinc/38/67/16/646386716.db2.gz RUSAAYMNRXITPX-VWYCJHECSA-N 2 0 214.353 1.253 20 0 BDADRP C1=CC[N@H+](CCN[C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925661802 646395889 /nfs/dbraw/zinc/39/58/89/646395889.db2.gz DXHSGQYIQXIXOZ-CQSZACIVSA-N 2 0 249.402 1.513 20 0 BDADRP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CCCOC1)[NH2+]2 ZINC000925667706 646397660 /nfs/dbraw/zinc/39/76/60/646397660.db2.gz DYCPQVFOXOROTN-NWBUJAPZSA-N 2 0 224.348 1.284 20 0 BDADRP CC1CCC(C)(C[NH2+][C@H]2CNCCOC2)CC1 ZINC000925662466 646398157 /nfs/dbraw/zinc/39/81/57/646398157.db2.gz IQKWAVYOWBDNEY-MOKVOYLWSA-N 2 0 240.391 1.781 20 0 BDADRP COCC1(C[NH2+][C@H]2CC[NH2+]C23CCC3)CCC1 ZINC000925662694 646399092 /nfs/dbraw/zinc/39/90/92/646399092.db2.gz LUBGRVOFQIDBFQ-LBPRGKRZSA-N 2 0 238.375 1.677 20 0 BDADRP C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925670120 646401239 /nfs/dbraw/zinc/40/12/39/646401239.db2.gz IDPJKLRRSUEQQW-FVCCEPFGSA-N 2 0 238.375 1.519 20 0 BDADRP CC(C)[N@@H+](C)C[C@H](C)N[C@H]1CC[NH2+]C12CCC2 ZINC000925668606 646401521 /nfs/dbraw/zinc/40/15/21/646401521.db2.gz IOOJVYYFLRSZPW-STQMWFEESA-N 2 0 239.407 1.589 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CC2=CCCOC2)C1 ZINC000925672413 646403770 /nfs/dbraw/zinc/40/37/70/646403770.db2.gz INTOYXBSFSAWHB-STQMWFEESA-N 2 0 238.375 1.829 20 0 BDADRP CC[C@@H](C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)OC ZINC000925675529 646404969 /nfs/dbraw/zinc/40/49/69/646404969.db2.gz JAPJKLGZXNKPHJ-QNWHQSFQSA-N 2 0 240.391 1.778 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+][C@H]2CCCOC2)C12CCC2 ZINC000925675092 646405756 /nfs/dbraw/zinc/40/57/56/646405756.db2.gz UWHFAFOSQSTVLJ-DCAQKATOSA-N 2 0 210.321 1.025 20 0 BDADRP C[C@@H](CCCO)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925680768 646408982 /nfs/dbraw/zinc/40/89/82/646408982.db2.gz UBKHLSICSHWPIN-RYUDHWBXSA-N 2 0 226.364 1.269 20 0 BDADRP C[C@@H](CCCCO)[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925681526 646409449 /nfs/dbraw/zinc/40/94/49/646409449.db2.gz ZQAWEEZGKOKWKF-QWRGUYRKSA-N 2 0 214.353 1.268 20 0 BDADRP CCC1(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)COC1 ZINC000925685014 646410576 /nfs/dbraw/zinc/41/05/76/646410576.db2.gz CJKQUPWNDUMIDE-RYUDHWBXSA-N 2 0 240.391 1.909 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[C@H]2O)C12CCC2 ZINC000925687513 646412556 /nfs/dbraw/zinc/41/25/56/646412556.db2.gz KPXRNNGFPZOIHF-UMSGYPCISA-N 2 0 238.375 1.397 20 0 BDADRP CCC1(C[NH2+][C@@H]2CC[NH2+]C2(C)C)COC1 ZINC000925687465 646415168 /nfs/dbraw/zinc/41/51/68/646415168.db2.gz KBZSRAKYLMUURL-SNVBAGLBSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@H]([NH3+])c1ccccc1 ZINC000925691070 646416706 /nfs/dbraw/zinc/41/67/06/646416706.db2.gz IHSZMEFDOLPTTG-UBHSHLNASA-N 2 0 233.359 1.417 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925693246 646417728 /nfs/dbraw/zinc/41/77/28/646417728.db2.gz QRTPWEGVPFZXOH-JWJHRALTSA-N 3 0 249.402 1.375 20 0 BDADRP C(N[C@H]1CC[NH2+]C12CCC2)[C@@H]1CCCC[NH2+]1 ZINC000925693152 646418239 /nfs/dbraw/zinc/41/82/39/646418239.db2.gz OUAPTQGFOBPWDY-RYUDHWBXSA-N 2 0 223.364 1.003 20 0 BDADRP C[C@@H]([NH3+])CCN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925695735 646421543 /nfs/dbraw/zinc/42/15/43/646421543.db2.gz WIFVILUHZOHZCC-WISYIIOYSA-N 2 0 225.380 1.090 20 0 BDADRP [NH3+][C@@H](CN[C@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000925695793 646421832 /nfs/dbraw/zinc/42/18/32/646421832.db2.gz XOSGOILXEBHXFL-KBPBESRZSA-N 2 0 245.370 1.561 20 0 BDADRP CC1(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CC[NH2+]CC1 ZINC000925697401 646422018 /nfs/dbraw/zinc/42/20/18/646422018.db2.gz FTJCDVVXMSZQKB-NEPJUHHUSA-N 3 0 237.391 1.236 20 0 BDADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000925695786 646422166 /nfs/dbraw/zinc/42/21/66/646422166.db2.gz XLXWIAMYLCSILE-IGQOVBAYSA-N 2 0 240.391 1.765 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@H]1N[C@@H]1CC[NH2+]C12CCCC2 ZINC000925698702 646423178 /nfs/dbraw/zinc/42/31/78/646423178.db2.gz GWNMQWCEQQDODH-JHJVBQTASA-N 2 0 237.391 1.249 20 0 BDADRP C[NH2+][C@H](C)CN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925697831 646423391 /nfs/dbraw/zinc/42/33/91/646423391.db2.gz AWLQNVJRLMNGOL-XBFCOCLRSA-N 2 0 239.407 1.352 20 0 BDADRP COCC1(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925702104 646424696 /nfs/dbraw/zinc/42/46/96/646424696.db2.gz LEDAYEWJNLVIRF-GFCCVEGCSA-N 2 0 238.375 1.677 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000925703649 646425224 /nfs/dbraw/zinc/42/52/24/646425224.db2.gz DOQPHWUJTROYQR-VXGBXAGGSA-N 3 0 225.380 1.249 20 0 BDADRP [NH3+]C[C@H](N[C@@H]1C[C@@H]([NH3+])C12CCC2)C1CCCC1 ZINC000925702488 646427157 /nfs/dbraw/zinc/42/71/57/646427157.db2.gz AOAGLYGMWJXAAD-YNEHKIRRSA-N 2 0 237.391 1.363 20 0 BDADRP CC1(C)C[C@@H](NC[C@@H]2C[C@H](F)C[NH2+]2)C[C@@H]([NH3+])C1 ZINC000925704991 646428350 /nfs/dbraw/zinc/42/83/50/646428350.db2.gz HFWOCVCOGIRMFC-USZNOCQGSA-N 2 0 243.370 1.182 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000925705589 646430291 /nfs/dbraw/zinc/43/02/91/646430291.db2.gz KHEBKZBDGORSLL-VXGBXAGGSA-N 2 0 237.391 1.391 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000925705587 646430804 /nfs/dbraw/zinc/43/08/04/646430804.db2.gz KHEBKZBDGORSLL-RYUDHWBXSA-N 2 0 237.391 1.391 20 0 BDADRP [NH3+][C@@H]1C[C@H](NCC2([NH3+])CCCC2)C12CCC2 ZINC000925708864 646432308 /nfs/dbraw/zinc/43/23/08/646432308.db2.gz DMIJSPZFGDFYIQ-MNOVXSKESA-N 2 0 223.364 1.117 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@H]2CC[NH2+]C2(C)C)C1 ZINC000925708245 646432381 /nfs/dbraw/zinc/43/23/81/646432381.db2.gz REBWWOABXNGTOX-RYUDHWBXSA-N 2 0 225.380 1.201 20 0 BDADRP [NH3+]C1(CN[C@@H]2CC[NH2+]C23CCC3)CCCC1 ZINC000925710208 646434700 /nfs/dbraw/zinc/43/47/00/646434700.db2.gz IFQQOFSZZJPKIH-LLVKDONJSA-N 2 0 223.364 1.132 20 0 BDADRP CO[C@@H](C)C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925712092 646436312 /nfs/dbraw/zinc/43/63/12/646436312.db2.gz OSFXFJSYYKNPEP-FPMFFAJLSA-N 2 0 240.391 1.779 20 0 BDADRP COCC1(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925712498 646438711 /nfs/dbraw/zinc/43/87/11/646438711.db2.gz HEDWCWZCZFIIKR-VXGBXAGGSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@@H]1C[C@H]3CC[C@@H]1O3)[NH2+]2 ZINC000925713477 646439452 /nfs/dbraw/zinc/43/94/52/646439452.db2.gz UBDFJPNXWQSJNQ-DKYFYASOSA-N 2 0 236.359 1.425 20 0 BDADRP c1coc(CCC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)c1 ZINC000925716048 646440413 /nfs/dbraw/zinc/44/04/13/646440413.db2.gz OQDVQBUYXWUAFK-XSXPHNMFSA-N 2 0 246.354 1.798 20 0 BDADRP C[NH2+]C[C@@H](C)N[C@H](CCC[NH3+])c1ccccc1 ZINC000925716196 646441433 /nfs/dbraw/zinc/44/14/33/646441433.db2.gz LSJOCIWSVLWGBP-TZMCWYRMSA-N 2 0 235.375 1.664 20 0 BDADRP Cc1cn(C)nc1C[N@H+](C)CCCn1ccnc1 ZINC000930128057 646450292 /nfs/dbraw/zinc/45/02/92/646450292.db2.gz YRSDXAWGRAEBGU-UHFFFAOYSA-N 2 0 247.346 1.447 20 0 BDADRP [NH3+]CCC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccccc1 ZINC000925728449 646453381 /nfs/dbraw/zinc/45/33/81/646453381.db2.gz VGSNLNUEOHAWSE-VHDGCEQUSA-N 3 0 247.386 1.794 20 0 BDADRP CC1(C)CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[NH3+])OC1 ZINC000925729875 646454667 /nfs/dbraw/zinc/45/46/67/646454667.db2.gz ACNAJSKSTCXJBZ-GRYCIOLGSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1C=CCC1 ZINC000925729885 646454896 /nfs/dbraw/zinc/45/48/96/646454896.db2.gz AFNPWFAVROFPTD-CYDGBPFRSA-N 2 0 224.348 1.295 20 0 BDADRP CC(C)([NH3+])CCN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925736958 646460355 /nfs/dbraw/zinc/46/03/55/646460355.db2.gz LWUOPWINXIXCQT-GHMZBOCLSA-N 3 0 227.396 1.609 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+]CCC(C)(C)[NH3+] ZINC000925739179 646462289 /nfs/dbraw/zinc/46/22/89/646462289.db2.gz UQBKAZZHBZFGER-RYUDHWBXSA-N 2 0 228.380 1.909 20 0 BDADRP CO[C@@H]1[C@@H](C)[C@H]([NH2+]CCC(C)(C)[NH3+])C1(C)C ZINC000925742679 646464186 /nfs/dbraw/zinc/46/41/86/646464186.db2.gz WTKRUWPNJIDQFJ-GARJFASQSA-N 2 0 228.380 1.763 20 0 BDADRP CC(C)([NH3+])CC[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000925742505 646465120 /nfs/dbraw/zinc/46/51/20/646465120.db2.gz UXVQYZCRYMPXHO-QJPTWQEYSA-N 2 0 240.391 1.907 20 0 BDADRP CCC1([NH3+])CCN([C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000925760167 646465963 /nfs/dbraw/zinc/46/59/63/646465963.db2.gz LBEFYQAYLUGXFB-NWDGAFQWSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H](CO)C[C@@H]1CCCO1 ZINC000925768784 646471239 /nfs/dbraw/zinc/47/12/39/646471239.db2.gz XDZWSNFNQWFJSD-AGIUHOORSA-N 2 0 244.379 1.024 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@]12CCCO2)[C@@H]1CC[NH2+]C1 ZINC000925773005 646472134 /nfs/dbraw/zinc/47/21/34/646472134.db2.gz LQSHVNLQRQNXJE-DGAVXFQQSA-N 2 0 238.375 1.676 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000925775018 646472309 /nfs/dbraw/zinc/47/23/09/646472309.db2.gz YWLLULGNHZUMMF-IJLUTSLNSA-N 2 0 224.348 1.415 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)C1C[NH2+]C1 ZINC000925772738 646472910 /nfs/dbraw/zinc/47/29/10/646472910.db2.gz JOTHSMFAQAFQSI-PWSUYJOCSA-N 2 0 224.348 1.143 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CCCO1)[C@@H]1CC[NH2+]C1 ZINC000925775133 646475072 /nfs/dbraw/zinc/47/50/72/646475072.db2.gz OJSXLKOLHWQHNB-IJLUTSLNSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CCCO1)[C@H]1CC[NH2+]C1 ZINC000925775132 646476227 /nfs/dbraw/zinc/47/62/27/646476227.db2.gz OJSXLKOLHWQHNB-GRYCIOLGSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCCc2c1cnn2C ZINC000925790830 646485755 /nfs/dbraw/zinc/48/57/55/646485755.db2.gz KXOQOIDKTLYDCN-NTZNESFSSA-N 2 0 248.374 1.243 20 0 BDADRP CN(C)c1cc[nH+]c(CN[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000925807838 646489758 /nfs/dbraw/zinc/48/97/58/646489758.db2.gz DLHBYEFUBRODFK-STQMWFEESA-N 2 0 234.347 1.117 20 0 BDADRP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccccc1 ZINC000925808034 646490399 /nfs/dbraw/zinc/49/03/99/646490399.db2.gz JMUAPXNRCBCXLU-ZDUSSCGKSA-N 2 0 247.386 1.760 20 0 BDADRP C[C@@H](NCc1cc(N(C)C)cc[nH+]1)[C@@H]1CC[NH2+]C1 ZINC000925813544 646491392 /nfs/dbraw/zinc/49/13/92/646491392.db2.gz UYXWNVHVQFJVAL-VXGBXAGGSA-N 2 0 248.374 1.235 20 0 BDADRP C[NH+](C)CCC[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000723661193 711532661 /nfs/dbraw/zinc/53/26/61/711532661.db2.gz DICVXPOBOLFJQU-HZSPNIEDSA-N 2 0 240.391 1.733 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@H]1[C@@H]1C[C@H]1C ZINC000925821732 646495137 /nfs/dbraw/zinc/49/51/37/646495137.db2.gz IIVYHLMNNFLONR-RXGFPQBGSA-N 2 0 226.364 1.374 20 0 BDADRP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925823841 646497219 /nfs/dbraw/zinc/49/72/19/646497219.db2.gz PPNJMPBDBPKJBI-LYUGOTMTSA-N 2 0 220.360 1.890 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000925830877 646500933 /nfs/dbraw/zinc/50/09/33/646500933.db2.gz IDTZKWNWTHDCCU-YRGRVCCFSA-N 2 0 238.375 1.676 20 0 BDADRP C([NH2+][C@H]1CCC[NH2+]CC1)[C@]12CCC[C@H]1OCC2 ZINC000925831436 646501675 /nfs/dbraw/zinc/50/16/75/646501675.db2.gz JYEXVGIWHUGZBK-BFHYXJOUSA-N 2 0 238.375 1.677 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCN1CCc2ccccc21 ZINC000925838546 646504959 /nfs/dbraw/zinc/50/49/59/646504959.db2.gz YQZJARGGZPWRNY-UONOGXRCSA-N 2 0 245.370 1.519 20 0 BDADRP CCOC[C@H](C)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925840899 646506031 /nfs/dbraw/zinc/50/60/31/646506031.db2.gz DELKGVBNRGFOGD-YNEHKIRRSA-N 2 0 226.364 1.533 20 0 BDADRP CC[C@H](COC)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925844513 646508091 /nfs/dbraw/zinc/50/80/91/646508091.db2.gz TVUDPFYKFVMDEA-JHJVBQTASA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cccnc1 ZINC000925874967 646526343 /nfs/dbraw/zinc/52/63/43/646526343.db2.gz ANQGJSVAGYWSMM-LOWVWBTDSA-N 2 0 219.332 1.860 20 0 BDADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925875299 646526543 /nfs/dbraw/zinc/52/65/43/646526543.db2.gz FUZZQBOORONEAT-NMKXLXIOSA-N 2 0 237.391 1.186 20 0 BDADRP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)n(C)n1 ZINC000925879956 646528768 /nfs/dbraw/zinc/52/87/68/646528768.db2.gz NBEKDAVKMVPGAW-UTUOFQBUSA-N 2 0 236.363 1.507 20 0 BDADRP C[C@H](N)[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000925879416 646529413 /nfs/dbraw/zinc/52/94/13/646529413.db2.gz DLDRNCCOOGWOBU-NEBZKDRISA-N 2 0 247.386 1.792 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925880634 646530433 /nfs/dbraw/zinc/53/04/33/646530433.db2.gz UWOQUDAQCSWHMY-WYUUTHIRSA-N 2 0 212.337 1.128 20 0 BDADRP C[C@@H](CCCCO)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925881526 646531594 /nfs/dbraw/zinc/53/15/94/646531594.db2.gz CHQQPBQNSSLQEY-TUAOUCFPSA-N 2 0 214.353 1.255 20 0 BDADRP [NH3+]C1CCC([NH2+]C2([C@@H]3CCCCO3)CC2)CC1 ZINC000925892811 646535691 /nfs/dbraw/zinc/53/56/91/646535691.db2.gz FIZBSPPTAJDVKV-BPCQOVAHSA-N 2 0 238.375 1.948 20 0 BDADRP Cc1nc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)oc1C ZINC000723701527 711534918 /nfs/dbraw/zinc/53/49/18/711534918.db2.gz KITIJRJJQPWKAG-LLVKDONJSA-N 2 0 223.320 1.462 20 0 BDADRP C[C@H](CN[C@@H]1CCC[NH2+][C@@H]1C)C[NH+]1CCCC1 ZINC000396597880 711702675 /nfs/dbraw/zinc/70/26/75/711702675.db2.gz MDVSVENYXJBLLR-MGPQQGTHSA-N 2 0 239.407 1.448 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925716029 711712745 /nfs/dbraw/zinc/71/27/45/711712745.db2.gz OGIRRMSIYKWIBA-JHJVBQTASA-N 2 0 241.423 1.855 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCO[C@@H]1CCOC1 ZINC000925875389 711761519 /nfs/dbraw/zinc/76/15/19/711761519.db2.gz SKFRBPRZLZLKJS-JHJVBQTASA-N 2 0 242.363 1.042 20 0 BDADRP COC[C@H](C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1)C(C)C ZINC000721909651 711814588 /nfs/dbraw/zinc/81/45/88/711814588.db2.gz AZZFHHYXGUPTRB-GRYCIOLGSA-N 2 0 214.353 1.184 20 0 BDADRP COC[C@@H](C[N@@H+]1CCC[C@H](CC[NH3+])C1)C(C)C ZINC000721965239 711845236 /nfs/dbraw/zinc/84/52/36/711845236.db2.gz YSLBHDNDSHAISQ-ZIAGYGMSSA-N 2 0 242.407 1.966 20 0 BDADRP C[N@H+](C[C@@H]1CCCO1)C[C@H]1CCCC[NH2+]C1 ZINC000700403420 711991890 /nfs/dbraw/zinc/99/18/90/711991890.db2.gz INRYKXFDOQSIEW-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP COC1(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)CCCC1 ZINC000702123429 712039467 /nfs/dbraw/zinc/03/94/67/712039467.db2.gz CLUQXVSPPZSNJD-QWHCGFSZSA-N 2 0 238.375 1.487 20 0 BDADRP CC[C@@H]1C[N@H+](CC2CC(OC)C2)CC[C@@H]1[NH3+] ZINC000703909240 712093759 /nfs/dbraw/zinc/09/37/59/712093759.db2.gz YLSAMDBBCMMBOZ-KPFVRQRISA-N 2 0 226.364 1.471 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CCSC1 ZINC000704813535 712118525 /nfs/dbraw/zinc/11/85/25/712118525.db2.gz IIEMOSUYGYBFKN-GRYCIOLGSA-N 2 0 228.405 1.847 20 0 BDADRP C[N@H+](CCCCCC[NH3+])Cc1ccno1 ZINC000710713737 712254651 /nfs/dbraw/zinc/25/46/51/712254651.db2.gz KAAIHFUZYYHKLO-UHFFFAOYSA-N 2 0 211.309 1.626 20 0 BDADRP C[N@H+](CCCCCC[NH3+])[C@@H]1CCCCNC1=O ZINC000710748390 712255650 /nfs/dbraw/zinc/25/56/50/712255650.db2.gz BOODWBHAZZQNIK-GFCCVEGCSA-N 2 0 241.379 1.106 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1COC[C@@H]1C ZINC000710852594 712259558 /nfs/dbraw/zinc/25/95/58/712259558.db2.gz MCSOUBSSCNXZGD-CRWXNKLISA-N 2 0 240.391 1.922 20 0 BDADRP CC[N@@H+]1CC[C@@H](CN[C@H]2CCC2(OC)OC)C1 ZINC000710959215 712268320 /nfs/dbraw/zinc/26/83/20/712268320.db2.gz LFSMURHBGHCLEN-RYUDHWBXSA-N 2 0 242.363 1.069 20 0 BDADRP CC1(C)CC[C@@H](C[NH2+]CC2([NH3+])CCC2)OC1 ZINC000711282409 712293247 /nfs/dbraw/zinc/29/32/47/712293247.db2.gz NFXKEWFPNFNONR-NSHDSACASA-N 2 0 226.364 1.663 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000711465550 712302034 /nfs/dbraw/zinc/30/20/34/712302034.db2.gz BNGFEFBHZGEXEE-STQMWFEESA-N 2 0 238.375 1.629 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H](CF)C1 ZINC000711454812 712303805 /nfs/dbraw/zinc/30/38/05/712303805.db2.gz NJRQTCAVEXUZRC-UTUOFQBUSA-N 2 0 214.328 1.523 20 0 BDADRP C[C@@]1(C[N@@H+]2CCC[C@H](CF)C2)CC[NH2+]C1 ZINC000711454825 712303996 /nfs/dbraw/zinc/30/39/96/712303996.db2.gz NKDZCOTZKJSTFP-VXGBXAGGSA-N 2 0 214.328 1.668 20 0 BDADRP C[C@@H]1CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000379787188 712399511 /nfs/dbraw/zinc/39/95/11/712399511.db2.gz IENXQESMUOOYPU-XYTAGDGMSA-N 2 0 208.349 2.000 20 0 BDADRP CCN1CC[C@@H]1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000712584458 712434021 /nfs/dbraw/zinc/43/40/21/712434021.db2.gz BCGNNZYUPSELFF-CQSZACIVSA-N 2 0 239.407 1.543 20 0 BDADRP C[C@H]1CC[C@H](C[N@@H+]2CC[NH2+]CCC2(C)C)O1 ZINC000712555628 712445089 /nfs/dbraw/zinc/44/50/89/712445089.db2.gz WYYIDXXHOAEZSP-NWDGAFQWSA-N 2 0 226.364 1.628 20 0 BDADRP CC1(C)CC[C@@H](C[N@@H+]2CC[C@H](CC[NH3+])C2)OC1 ZINC000713597993 712466198 /nfs/dbraw/zinc/46/61/98/712466198.db2.gz XFJLLBSZHJKWCM-STQMWFEESA-N 2 0 240.391 1.862 20 0 BDADRP COCC[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714408953 712485844 /nfs/dbraw/zinc/48/58/44/712485844.db2.gz GBDAEFKKKXKFFO-UHFFFAOYSA-N 2 0 214.353 1.330 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000714612399 712488243 /nfs/dbraw/zinc/48/82/43/712488243.db2.gz GFTYIFYIAVYXDS-BJDJZHNGSA-N 2 0 212.337 1.142 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000714692776 712495693 /nfs/dbraw/zinc/49/56/93/712495693.db2.gz WBQHUEFPGDIOBM-FVCCEPFGSA-N 2 0 226.364 1.484 20 0 BDADRP CC[C@H](C[C@H](C)O)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000716854746 712578915 /nfs/dbraw/zinc/57/89/15/712578915.db2.gz UHPPNINDEMFVHI-QWHCGFSZSA-N 2 0 242.407 1.998 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1CC(C)(C)CO1 ZINC000717316249 712646728 /nfs/dbraw/zinc/64/67/28/712646728.db2.gz DOUKDMHSEGZDQH-VXGBXAGGSA-N 2 0 244.379 1.145 20 0 BDADRP CC1(C)CO[C@H](C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000717612271 712662325 /nfs/dbraw/zinc/66/23/25/712662325.db2.gz DSGYBBQMGLIHCJ-SDDRHHMPSA-N 2 0 238.375 1.661 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH2+]C1(C2CC2)CCC1 ZINC000717818591 712681533 /nfs/dbraw/zinc/68/15/33/712681533.db2.gz ARXQIRKMTBBNNP-ZDUSSCGKSA-N 2 0 240.391 1.610 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH2+]C1(C2CC2)CCC1 ZINC000717885479 712731226 /nfs/dbraw/zinc/73/12/26/712731226.db2.gz SPPJDLAQOVGWOU-GFCCVEGCSA-N 2 0 226.364 1.221 20 0 BDADRP CC(F)(F)CCC[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000718610929 712773106 /nfs/dbraw/zinc/77/31/06/712773106.db2.gz JJLXVMMACHNYIV-SNVBAGLBSA-N 2 0 236.306 1.471 20 0 BDADRP C[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1C[NH3+] ZINC000719872993 712824640 /nfs/dbraw/zinc/82/46/40/712824640.db2.gz ONUJMEFTHBMYNM-NXEZZACHSA-N 2 0 225.361 1.212 20 0 BDADRP CC[C@H]1C[N@H+](CCc2ccns2)CC[C@H]1[NH3+] ZINC000719845909 712825476 /nfs/dbraw/zinc/82/54/76/712825476.db2.gz QRERWWNAKNTMOO-CMPLNLGQSA-N 2 0 239.388 1.745 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCc2ccns2)C1 ZINC000719845570 712825662 /nfs/dbraw/zinc/82/56/62/712825662.db2.gz JPFRHGWSZWGILN-WDEREUQCSA-N 2 0 239.388 1.745 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H](CCO)C2CC2)CCN1C ZINC000381729335 710689050 /nfs/dbraw/zinc/68/90/50/710689050.db2.gz NDNBIDHVMQJOLV-RAIGVLPGSA-N 2 0 226.364 1.220 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H](CCO)C2CC2)CCN1C ZINC000381729337 710689182 /nfs/dbraw/zinc/68/91/82/710689182.db2.gz NDNBIDHVMQJOLV-RTXFEEFZSA-N 2 0 226.364 1.220 20 0 BDADRP C[C@@]1(C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)CC[NH2+]C1 ZINC000381570520 710655713 /nfs/dbraw/zinc/65/57/13/710655713.db2.gz WXEAFNKBQXSPPM-HZSPNIEDSA-N 2 0 220.360 1.884 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1CC[NH3+] ZINC000723881554 710733154 /nfs/dbraw/zinc/73/31/54/710733154.db2.gz ACUCPYTYYITBOW-VXGBXAGGSA-N 2 0 219.332 1.498 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cccc(O)c2)C[C@H]1CC[NH3+] ZINC000723909240 710734169 /nfs/dbraw/zinc/73/41/69/710734169.db2.gz OAUQBEOLSORXKR-DGCLKSJQSA-N 2 0 234.343 1.809 20 0 BDADRP CC(C)OC[C@H](C)[NH2+]CCN1CCC[C@@H]1C ZINC000393808883 710759927 /nfs/dbraw/zinc/75/99/27/710759927.db2.gz QYWWEXNICRYBLZ-STQMWFEESA-N 2 0 228.380 1.874 20 0 BDADRP CC[C@H]1C[C@@H](C)C[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000399117507 710913836 /nfs/dbraw/zinc/91/38/36/710913836.db2.gz NFMCSEHGNDHODF-NDBYEHHHSA-N 2 0 210.365 1.962 20 0 BDADRP CCOCCC[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000133089270 710968375 /nfs/dbraw/zinc/96/83/75/710968375.db2.gz WCFZFUMNLKKCJT-VXGBXAGGSA-N 2 0 214.353 1.330 20 0 BDADRP COCc1ccc(CN2CCC[C@@H](C[NH3+])C2)o1 ZINC000382719890 710974897 /nfs/dbraw/zinc/97/48/97/710974897.db2.gz HKVIATSRHUXKGF-NSHDSACASA-N 2 0 238.331 1.597 20 0 BDADRP C[C@@H](C[NH3+])N(C)C[C@@H](O)CC1CCCC1 ZINC000382977582 710975898 /nfs/dbraw/zinc/97/58/98/710975898.db2.gz NWIOMBVKRPMKDC-JQWIXIFHSA-N 2 0 214.353 1.207 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC[N@@H+]1C ZINC000385477739 711012702 /nfs/dbraw/zinc/01/27/02/711012702.db2.gz DZHWIIFHIKQSNP-UCGZNOEMSA-N 2 0 249.402 1.055 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC[N@@H+]1C ZINC000385477728 711012758 /nfs/dbraw/zinc/01/27/58/711012758.db2.gz DZHWIIFHIKQSNP-FXWFOLBNSA-N 2 0 249.402 1.055 20 0 BDADRP C[NH+]1CCC(C[NH2+]CCC(C)(C)CO)CC1 ZINC000385734825 711017809 /nfs/dbraw/zinc/01/78/09/711017809.db2.gz AZOFNNLFYAQXDW-UHFFFAOYSA-N 2 0 228.380 1.326 20 0 BDADRP c1ccc(OCC[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000386077290 711021849 /nfs/dbraw/zinc/02/18/49/711021849.db2.gz GTOQQBVREUUTQY-UONOGXRCSA-N 2 0 246.354 1.607 20 0 BDADRP C[N@@H+]1CC[C@]2(CCN(c3cc[nH+]cc3CO)C2)C1 ZINC000386612892 711034125 /nfs/dbraw/zinc/03/41/25/711034125.db2.gz MUZKWXGMQMSWNQ-AWEZNQCLSA-N 2 0 247.342 1.106 20 0 BDADRP CCCCOCCN1C[C@@H]([NH3+])C(C)(C)C1 ZINC000388040022 711049403 /nfs/dbraw/zinc/04/94/03/711049403.db2.gz ISDNVBUTCOMVEA-LLVKDONJSA-N 2 0 214.353 1.472 20 0 BDADRP C[C@@H]([NH2+]CCC(C)(C)[NH3+])[C@H]1CCCO1 ZINC000389254831 711074279 /nfs/dbraw/zinc/07/42/79/711074279.db2.gz DNUDUEVUHQPPDX-NXEZZACHSA-N 2 0 200.326 1.271 20 0 BDADRP COC[C@@H]([NH2+]CCC(C)(C)[NH3+])C(C)C ZINC000389267202 711074867 /nfs/dbraw/zinc/07/48/67/711074867.db2.gz JZLPFEFQLJVPIU-SNVBAGLBSA-N 2 0 202.342 1.374 20 0 BDADRP CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C(C)C ZINC000389600488 711082650 /nfs/dbraw/zinc/08/26/50/711082650.db2.gz UFOXCOKFSIUXOM-LBPRGKRZSA-N 2 0 216.369 1.418 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CSC[C@@H]2C)C1 ZINC000389630401 711083618 /nfs/dbraw/zinc/08/36/18/711083618.db2.gz LZWCANVUMKNPJG-TUAOUCFPSA-N 2 0 228.405 1.669 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C)C[NH+](C)C ZINC000389730469 711088312 /nfs/dbraw/zinc/08/83/12/711088312.db2.gz SEWKETZUJIFMSK-IJLUTSLNSA-N 2 0 214.353 1.341 20 0 BDADRP CCOC(=O)CCCCC[N@H+](C)C[C@@H](C)[NH3+] ZINC000390081306 711105115 /nfs/dbraw/zinc/10/51/15/711105115.db2.gz BVVJXTOFGXIRJB-LLVKDONJSA-N 2 0 230.352 1.389 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H](O)c1ccsc1 ZINC000390503064 711121772 /nfs/dbraw/zinc/12/17/72/711121772.db2.gz VAWJFKOWIGSFAR-CMPLNLGQSA-N 2 0 242.388 1.889 20 0 BDADRP C[C@H](CCO)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000390567826 711125163 /nfs/dbraw/zinc/12/51/63/711125163.db2.gz UGWQIQHBLKZINQ-LLVKDONJSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ncc(Cl)n1C ZINC000393271126 711156599 /nfs/dbraw/zinc/15/65/99/711156599.db2.gz AEYONXSLYZRFIA-VIFPVBQESA-N 2 0 244.770 1.681 20 0 BDADRP C[C@@H]1CC[C@@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000393826199 711177390 /nfs/dbraw/zinc/17/73/90/711177390.db2.gz OPVKKAFSDIPLGX-OLZOCXBDSA-N 2 0 225.380 1.012 20 0 BDADRP CC1(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000393930930 711179457 /nfs/dbraw/zinc/17/94/57/711179457.db2.gz KDHKEQDMXINHFU-RNWYCLNJSA-N 2 0 206.333 1.373 20 0 BDADRP C[C@H](F)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000393953514 711180341 /nfs/dbraw/zinc/18/03/41/711180341.db2.gz RSGPFTWTSAONLL-YEJSDXFRSA-N 2 0 214.328 1.949 20 0 BDADRP CC(C)C[C@H](CN[C@@H]1CCC[NH2+][C@H]1C)[NH+](C)C ZINC000396621598 711360956 /nfs/dbraw/zinc/36/09/56/711360956.db2.gz VACIYSUPMUVEGZ-BFHYXJOUSA-N 2 0 241.423 1.693 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000396592735 711355966 /nfs/dbraw/zinc/35/59/66/711355966.db2.gz UNNCKVRBVNQBID-OUCADQQQSA-N 2 0 237.391 1.201 20 0 BDADRP C[C@H]1COCC[N@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000399172623 711423390 /nfs/dbraw/zinc/42/33/90/711423390.db2.gz OXWDXISEIWWLGY-CHWSQXEVSA-N 2 0 226.364 1.344 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+]Cc1cc[nH]c(=O)c1 ZINC000380979017 710596319 /nfs/dbraw/zinc/59/63/19/710596319.db2.gz HXIQPEJSBUIDRA-SNVBAGLBSA-N 2 0 223.320 1.217 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+]C1CCC(C)(O)CC1 ZINC000381129545 710603228 /nfs/dbraw/zinc/60/32/28/710603228.db2.gz KIJVODZDELKVHM-HIFPTAJRSA-N 2 0 228.380 1.610 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH2+][C@H](CCO)C1CC1 ZINC000381431303 710636757 /nfs/dbraw/zinc/63/67/57/710636757.db2.gz BPEDKULMRUURPF-QWHCGFSZSA-N 2 0 226.364 1.221 20 0 BDADRP COC[C@H](C[N@H+](C)CC(C)(C)C[NH3+])C(C)C ZINC000721913131 710693045 /nfs/dbraw/zinc/69/30/45/710693045.db2.gz OEGHSSVLLGBHSH-LBPRGKRZSA-N 2 0 230.396 1.822 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](C)N1CCCCC1 ZINC000383610362 710985131 /nfs/dbraw/zinc/98/51/31/710985131.db2.gz SMYWMSHWBCRZPI-KGLIPLIRSA-N 2 0 241.423 1.968 20 0 BDADRP C[C@H](CC(C)(C)O)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000385070814 711004475 /nfs/dbraw/zinc/00/44/75/711004475.db2.gz VRMIHODGBDFBNC-JIMTYQMOSA-N 2 0 238.375 1.122 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc[nH]c(=O)c2)C1 ZINC000392655237 711149718 /nfs/dbraw/zinc/14/97/18/711149718.db2.gz XGHUUMZBSJIMEE-LBPRGKRZSA-N 2 0 235.331 1.219 20 0 BDADRP Cl/C=C\C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000394289322 711188885 /nfs/dbraw/zinc/18/88/85/711188885.db2.gz MSOGKODCBYTKFR-PHVWZEQKSA-N 2 0 214.740 1.670 20 0 BDADRP C(CC1CC1)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000394487068 711194217 /nfs/dbraw/zinc/19/42/17/711194217.db2.gz IGLJZTWOXYHXQK-CHWSQXEVSA-N 2 0 208.349 1.860 20 0 BDADRP CC[C@H](C)[C@H](CN[C@H]1CCC[NH2+][C@H]1C)OC ZINC000396724009 711364337 /nfs/dbraw/zinc/36/43/37/711364337.db2.gz VBIYEYQZLVQXMJ-CYDGBPFRSA-N 2 0 228.380 1.778 20 0 BDADRP C[C@H]1[NH2+]CCC[C@@H]1NCCOCc1ccccc1 ZINC000396684189 711364957 /nfs/dbraw/zinc/36/49/57/711364957.db2.gz XILZNFAKCBOLKY-HIFRSBDPSA-N 2 0 248.370 1.933 20 0 BDADRP C[C@H](CN[C@H]1CCC[NH2+][C@H]1C)[N@H+](C)C1CC1 ZINC000396713666 711366719 /nfs/dbraw/zinc/36/67/19/711366719.db2.gz QKQQMLYGQAXFRN-MDZLAQPJSA-N 2 0 225.380 1.199 20 0 BDADRP C[C@@H](CCO)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000397609223 711387685 /nfs/dbraw/zinc/38/76/85/711387685.db2.gz BOUGVOIOVHONIZ-RLAWYHOSSA-N 2 0 240.391 1.610 20 0 BDADRP C[N@H+](CCCCCC[NH3+])C[C@@H]1CCOC1 ZINC000399703039 711433676 /nfs/dbraw/zinc/43/36/76/711433676.db2.gz BQDBQVSDMUFSIC-LBPRGKRZSA-N 2 0 214.353 1.474 20 0 BDADRP CC[C@@H]1C[C@H]1C[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000723081304 711501233 /nfs/dbraw/zinc/50/12/33/711501233.db2.gz UKYVGYWZJSBNBK-UPJWGTAASA-N 2 0 210.365 1.964 20 0 BDADRP Cc1nc(C)c(C[N@@H+]2CC[C@H](CC[NH3+])C2)o1 ZINC000723653731 711531192 /nfs/dbraw/zinc/53/11/92/711531192.db2.gz DEACLRCZGPMGAN-NSHDSACASA-N 2 0 223.320 1.462 20 0 BDADRP COc1ccc(C[N@@H+]2CC[C@H](CC[NH3+])C2)cn1 ZINC000723671200 711533266 /nfs/dbraw/zinc/53/32/66/711533266.db2.gz XYUAFOIPYAHFDV-NSHDSACASA-N 2 0 235.331 1.261 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000723703724 711535678 /nfs/dbraw/zinc/53/56/78/711535678.db2.gz VJNBKKGSZHEGKQ-LLVKDONJSA-N 2 0 244.342 1.734 20 0 BDADRP C[C@@H]1C[N@H+](Cc2nccs2)C[C@H]1CC[NH3+] ZINC000723910898 711544937 /nfs/dbraw/zinc/54/49/37/711544937.db2.gz YOCHWOJISRMJIQ-NXEZZACHSA-N 2 0 225.361 1.560 20 0 BDADRP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)[C@@H]1CCCOC1 ZINC000723957065 711547522 /nfs/dbraw/zinc/54/75/22/711547522.db2.gz SYOZPSRLIDWIKG-YIYPIFLZSA-N 2 0 240.391 1.922 20 0 BDADRP CO[C@@H]1CC[C@@H]1[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000724154700 711565538 /nfs/dbraw/zinc/56/55/38/711565538.db2.gz YRLBVXXLCLSXGT-RWMBFGLXSA-N 2 0 226.364 1.485 20 0 BDADRP CO[C@H]1CC[C@@H]1[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000724155054 711565547 /nfs/dbraw/zinc/56/55/47/711565547.db2.gz JXISMOGLYNRYKA-RHYQMDGZSA-N 2 0 212.337 1.223 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H](CC)C[C@H](C)O)CC1 ZINC000716855819 711585529 /nfs/dbraw/zinc/58/55/29/711585529.db2.gz XJELBXZPZULHER-STQMWFEESA-N 2 0 242.407 2.000 20 0 BDADRP CC[C@@H]([NH2+]C[C@H]1C[C@H](OC)C1)[C@H]1CCCC[NH2+]1 ZINC000925735865 711731666 /nfs/dbraw/zinc/73/16/66/711731666.db2.gz IYUYVZIDPLTYFP-AAVRWANBSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC[C@H](C2CC2)O1)C1C[NH2+]C1 ZINC000722325349 711737432 /nfs/dbraw/zinc/73/74/32/711737432.db2.gz PPAAEPCRZLBFCZ-TVYUQYBPSA-N 2 0 224.348 1.142 20 0 BDADRP C[C@@H]1COCC[N@H+](CCCCCCC[NH3+])C1 ZINC000399187071 711744644 /nfs/dbraw/zinc/74/46/44/711744644.db2.gz UHQVUUKRWYWXKA-ZDUSSCGKSA-N 2 0 228.380 1.864 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000925787334 711751308 /nfs/dbraw/zinc/75/13/08/711751308.db2.gz YNPUBBPXXBXCHA-XJFOESAGSA-N 2 0 237.391 1.058 20 0 BDADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]C[C@]12C[C@H]1CCC2 ZINC000925880296 711762143 /nfs/dbraw/zinc/76/21/43/711762143.db2.gz IOYXQFFSYAOFDU-ZSLBOAEBSA-N 2 0 238.375 1.519 20 0 BDADRP C[C@H]1COCC[C@@H]1C[NH2+]CC1CC[NH+](C)CC1 ZINC000894420285 711771443 /nfs/dbraw/zinc/77/14/43/711771443.db2.gz QENSAKPPACRZOP-GXTWGEPZSA-N 2 0 240.391 1.590 20 0 BDADRP CCOCCC[NH2+]CC1CC[NH+](C)CC1 ZINC000054239979 711782552 /nfs/dbraw/zinc/78/25/52/711782552.db2.gz YLWVUTNZOPGGLW-UHFFFAOYSA-N 2 0 214.353 1.344 20 0 BDADRP COC[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC000721870053 711792987 /nfs/dbraw/zinc/79/29/87/711792987.db2.gz AYGPUEDLHIENEZ-IHRRRGAJSA-N 2 0 242.407 1.977 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@H](COC)C(C)C)CC[C@@H]1[NH3+] ZINC000721913811 711918169 /nfs/dbraw/zinc/91/81/69/711918169.db2.gz QDNNNIHELPZHOJ-MCIONIFRSA-N 2 0 242.407 1.964 20 0 BDADRP C[C@H]1CCCC[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000721937301 711941102 /nfs/dbraw/zinc/94/11/02/711941102.db2.gz DWWAMVXXGXSMSA-GXTWGEPZSA-N 2 0 239.407 1.578 20 0 BDADRP C([C@@H]1CCCC[NH2+]C1)[N@@H+]1CCCOCC1 ZINC000700257776 711988925 /nfs/dbraw/zinc/98/89/25/711988925.db2.gz RBVOUCKZLJNXGM-GFCCVEGCSA-N 2 0 212.337 1.098 20 0 BDADRP COC[C@@H](C)C[NH2+]CC[C@H](C)[NH+](C)C ZINC000700489456 711994215 /nfs/dbraw/zinc/99/42/15/711994215.db2.gz RMWISZVAAXLOPZ-QWRGUYRKSA-N 2 0 202.342 1.199 20 0 BDADRP C[NH+]1CCC(C[NH2+]C[C@]2(C)CC2(F)F)CC1 ZINC000701636796 712026023 /nfs/dbraw/zinc/02/60/23/712026023.db2.gz XMSUTUAURMAMKF-NSHDSACASA-N 2 0 232.318 1.963 20 0 BDADRP CCO[C@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000701719440 712028011 /nfs/dbraw/zinc/02/80/11/712028011.db2.gz VCOZWMUKKQKOAE-RYUDHWBXSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@H]1CCCCO1)C2 ZINC000702054555 712037227 /nfs/dbraw/zinc/03/72/27/712037227.db2.gz WEHDTEGKDUKAJG-YNEHKIRRSA-N 2 0 224.348 1.097 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCC1SCCS1 ZINC000703396004 712075043 /nfs/dbraw/zinc/07/50/43/712075043.db2.gz IUHSLBVWXPFRPA-VHSXEESVSA-N 2 0 246.445 1.900 20 0 BDADRP C[C@@H]([NH2+]C1CCC(C)(O)CC1)[C@@H]1CCC[NH2+]1 ZINC000703603089 712082092 /nfs/dbraw/zinc/08/20/92/712082092.db2.gz CJLWYCXSJDIRFL-IGJPJIBNSA-N 2 0 226.364 1.410 20 0 BDADRP COCCC1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000704161895 712100170 /nfs/dbraw/zinc/10/01/70/712100170.db2.gz OAXRNVKARVDIMZ-BETUJISGSA-N 2 0 226.364 1.472 20 0 BDADRP CSC1CC([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000706928690 712161874 /nfs/dbraw/zinc/16/18/74/712161874.db2.gz MPLDTRGPHLGYHX-ZBOXLXRLSA-N 2 0 240.416 1.954 20 0 BDADRP CCOC[C@@H]1CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000707525832 712171403 /nfs/dbraw/zinc/17/14/03/712171403.db2.gz UAPFHVKRKRXLPP-ZIAGYGMSSA-N 2 0 240.391 1.735 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC000708333193 712188266 /nfs/dbraw/zinc/18/82/66/712188266.db2.gz UTOVGSAJNCNORB-NEPJUHHUSA-N 2 0 226.364 1.343 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1C[NH3+] ZINC000708348311 712189780 /nfs/dbraw/zinc/18/97/80/712189780.db2.gz MLFOAIQXHICKMT-UPJWGTAASA-N 2 0 240.391 1.718 20 0 BDADRP CN(C[C@@H]1CC(C)(C)CO1)CC(C)(C)[NH3+] ZINC000708354642 712190235 /nfs/dbraw/zinc/19/02/35/712190235.db2.gz KYLZKJUNDMJBBK-JTQLQIEISA-N 2 0 214.353 1.471 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000708678837 712196319 /nfs/dbraw/zinc/19/63/19/712196319.db2.gz CCAYYUCLEXBHLB-WHOHXGKFSA-N 2 0 224.348 1.271 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1NC1CC[NH+](C)CC1)[NH2+]2 ZINC000709284693 712219013 /nfs/dbraw/zinc/21/90/13/712219013.db2.gz NZZWAXHLMVXJPK-YXCITZCRSA-N 2 0 237.391 1.199 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1CC1(C)C)[NH2+]2 ZINC000709384122 712220515 /nfs/dbraw/zinc/22/05/15/712220515.db2.gz HFLDCHKWMAUOHK-ROHXPCBUSA-N 2 0 208.349 1.904 20 0 BDADRP CCC[C@H](O)C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000709802296 712227257 /nfs/dbraw/zinc/22/72/57/712227257.db2.gz UTNCQBWJHXGEJH-LBPRGKRZSA-N 2 0 228.380 1.564 20 0 BDADRP Cn1nccc1CC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000710012323 712240813 /nfs/dbraw/zinc/24/08/13/712240813.db2.gz AEVJGAUHBASLLA-CQSZACIVSA-N 2 0 248.374 1.038 20 0 BDADRP COCC[C@H](C)[N@H+](C)CCCCCC[NH3+] ZINC000710712968 712254753 /nfs/dbraw/zinc/25/47/53/712254753.db2.gz FWDULXGMLQDUAB-LBPRGKRZSA-N 2 0 216.369 1.862 20 0 BDADRP C[N@H+](CCCCCC[NH3+])[C@H]1CCN(C2CC2)C1 ZINC000710724969 712255678 /nfs/dbraw/zinc/25/56/78/712255678.db2.gz POOJYBHONLWVPL-AWEZNQCLSA-N 2 0 239.407 1.674 20 0 BDADRP CO[C@@H]1COCC[C@@H]1[N@H+](C)CCCCCC[NH3+] ZINC000710724465 712255723 /nfs/dbraw/zinc/25/57/23/712255723.db2.gz MHAGBLGRBWGSOY-QWHCGFSZSA-N 2 0 244.379 1.241 20 0 BDADRP CC1(C)[C@H]([NH2+]C[C@H]2CCC(C)(C)CO2)C[C@@H]1[NH3+] ZINC000711251112 712290643 /nfs/dbraw/zinc/29/06/43/712290643.db2.gz PRMLBXQXDRAWIM-GRYCIOLGSA-N 2 0 240.391 1.907 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCC3(CCC3)O2)CC[C@@H]1[NH3+] ZINC000711473209 712302900 /nfs/dbraw/zinc/30/29/00/712302900.db2.gz XZQBUPVAVADESA-AGIUHOORSA-N 2 0 238.375 1.757 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1C=CCC1 ZINC000711671730 712315744 /nfs/dbraw/zinc/31/57/44/712315744.db2.gz ZOAHLAIEUMWLAN-NEPJUHHUSA-N 2 0 212.337 1.296 20 0 BDADRP CC[NH2+]CC1CC[NH+](CCOC2CC2)CC1 ZINC000711757203 712325576 /nfs/dbraw/zinc/32/55/76/712325576.db2.gz BCEYVFHZYKMKDJ-UHFFFAOYSA-N 2 0 226.364 1.487 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](CCCCCF)C1 ZINC000379503501 712386025 /nfs/dbraw/zinc/38/60/25/712386025.db2.gz OHFBPQBRGCDZEJ-LLVKDONJSA-N 2 0 202.317 1.797 20 0 BDADRP C[C@H]1CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000379787186 712399363 /nfs/dbraw/zinc/39/93/63/712399363.db2.gz IENXQESMUOOYPU-OFIBSPLFSA-N 2 0 208.349 2.000 20 0 BDADRP CCN1CC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000712584369 712434313 /nfs/dbraw/zinc/43/43/13/712434313.db2.gz YDKFBFKFRIRUGU-WTUNAVPPSA-N 2 0 237.391 1.295 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CCC(C)(C)CO2)CC[C@H]1[NH3+] ZINC000713596610 712466107 /nfs/dbraw/zinc/46/61/07/712466107.db2.gz NALBJVFUQAAKQR-JHJVBQTASA-N 2 0 240.391 1.861 20 0 BDADRP CC1(C)CC[C@H](C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)OC1 ZINC000713585570 712466345 /nfs/dbraw/zinc/46/63/45/712466345.db2.gz JTJCUVSMYUWJGE-RWMBFGLXSA-N 2 0 238.375 1.343 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000714607172 712488223 /nfs/dbraw/zinc/48/82/23/712488223.db2.gz VMGYQAGMNXPKJI-FQUUOJAGSA-N 2 0 238.375 1.628 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cc[nH]c(=O)c2)C1 ZINC000715217474 712513868 /nfs/dbraw/zinc/51/38/68/712513868.db2.gz HXTIMBWDOPAQKC-QWHCGFSZSA-N 2 0 249.358 1.750 20 0 BDADRP CC1(C)CN(C[C@@H]2CC[C@@H](C3CC3)O2)C[C@H]1[NH3+] ZINC000715412082 712517573 /nfs/dbraw/zinc/51/75/73/712517573.db2.gz FPYDRHMKDFZWJX-RWMBFGLXSA-N 2 0 238.375 1.613 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@@H]2CC[C@@H](C3CC3)O2)C1 ZINC000715434024 712518956 /nfs/dbraw/zinc/51/89/56/712518956.db2.gz FGBUQCDKJKGHSQ-XBFCOCLRSA-N 2 0 238.375 1.615 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CC[C@@H](C3CC3)O2)CC[C@@H]1[NH3+] ZINC000715479650 712520602 /nfs/dbraw/zinc/52/06/02/712520602.db2.gz HWNYQVHBMHWCHG-SAXRGWBVSA-N 2 0 238.375 1.613 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H](C3CC3)O2)C[C@H]1C[NH3+] ZINC000715391229 712522173 /nfs/dbraw/zinc/52/21/73/712522173.db2.gz DKCRZJWMJRFSFD-RUZUBIRVSA-N 2 0 238.375 1.471 20 0 BDADRP C[NH+](C)C1(C)CCC([NH2+][C@H]2CC[NH2+]C2)CC1 ZINC000715489064 712523077 /nfs/dbraw/zinc/52/30/77/712523077.db2.gz CIUIXHDANKQURO-CPCZMJQVSA-N 3 0 225.380 1.201 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](C[C@@H]2CC[C@@H](C3CC3)O2)C1 ZINC000715493417 712523515 /nfs/dbraw/zinc/52/35/15/712523515.db2.gz BYFRHEVXVUFTFA-MELADBBJSA-N 2 0 238.375 1.615 20 0 BDADRP C[N@H+](CCC[NH3+])C[C@H]1CC[C@H](C2CC2)O1 ZINC000715493409 712523668 /nfs/dbraw/zinc/52/36/68/712523668.db2.gz BXFCQEHIFDGKGC-VXGBXAGGSA-N 2 0 212.337 1.225 20 0 BDADRP [NH3+]CC1CC[NH+](C[C@@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000715510631 712524507 /nfs/dbraw/zinc/52/45/07/712524507.db2.gz QAAHWTRKKNGQNQ-KBPBESRZSA-N 2 0 238.375 1.615 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@H]2CC[C@H](C3CC3)O2)C1 ZINC000715513045 712524517 /nfs/dbraw/zinc/52/45/17/712524517.db2.gz YAWBFWRQYZKYGQ-IACUBPJLSA-N 2 0 238.375 1.485 20 0 BDADRP C[C@H]1COC[C@@H]1[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715584763 712527281 /nfs/dbraw/zinc/52/72/81/712527281.db2.gz RBKLUZQOOCVBTH-AHPWVWPOSA-N 2 0 240.391 1.874 20 0 BDADRP C[NH+](C)C1CCC([NH2+]Cc2cnc[nH]2)CC1 ZINC000715574713 712529160 /nfs/dbraw/zinc/52/91/60/712529160.db2.gz WBGGELGQVHQKOD-UHFFFAOYSA-N 2 0 222.336 1.372 20 0 BDADRP Cc1cc(N[C@H]2CCC[C@@H]([NH+](C)C)C2)nc(N)[nH+]1 ZINC000715570010 712529370 /nfs/dbraw/zinc/52/93/70/712529370.db2.gz JMFVPPFNGVIBMO-WDEREUQCSA-N 2 0 249.362 1.652 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CCCS1 ZINC000715750837 712531360 /nfs/dbraw/zinc/53/13/60/712531360.db2.gz BWQYMJDCZJWGKX-QJPTWQEYSA-N 2 0 228.405 1.989 20 0 BDADRP CC[C@H](C[C@H](C)O)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000716853569 712578658 /nfs/dbraw/zinc/57/86/58/712578658.db2.gz PPYUFTGPLFPDKB-REWJHTLYSA-N 2 0 240.391 1.752 20 0 BDADRP CC[C@H](C)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000717008756 712604129 /nfs/dbraw/zinc/60/41/29/712604129.db2.gz CUQOSTOBVQNTFK-DTWKUNHWSA-N 2 0 206.280 1.619 20 0 BDADRP C1=CCC(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000717355926 712650467 /nfs/dbraw/zinc/65/04/67/712650467.db2.gz KMHFPGSXWMWZLR-YHQUGGNUSA-N 2 0 218.344 1.539 20 0 BDADRP C[C@H](CNC(=[NH2+])NC1CCCC1)[N@H+](C)C1CC1 ZINC000221247193 712658544 /nfs/dbraw/zinc/65/85/44/712658544.db2.gz HHPPXBFYPKTSGX-SNVBAGLBSA-N 2 0 238.379 1.526 20 0 BDADRP CC1(C)CO[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000717601024 712662175 /nfs/dbraw/zinc/66/21/75/712662175.db2.gz PIAGCUFOJBJYLX-ZGVCCVRISA-N 2 0 238.375 1.674 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](CCOc2ccccc2)C1 ZINC000042896929 712720805 /nfs/dbraw/zinc/72/08/05/712720805.db2.gz CLRDXJPHMYNTOX-LBPRGKRZSA-N 2 0 220.316 1.346 20 0 BDADRP CN1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H]1CC[C@H]([NH3+])C1 ZINC000717955156 712734587 /nfs/dbraw/zinc/73/45/87/712734587.db2.gz YQQSQUYPRTXUGH-XJFOESAGSA-N 3 0 237.391 1.282 20 0 BDADRP CC(C)[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000717973255 712736161 /nfs/dbraw/zinc/73/61/61/712736161.db2.gz GACGVSXPAKHPDQ-FRRDWIJNSA-N 2 0 226.364 1.471 20 0 BDADRP O[C@@H](C[NH2+]C1CCC=CCC1)C[NH+]1CCCC1 ZINC000718065508 712739835 /nfs/dbraw/zinc/73/98/35/712739835.db2.gz AUPHCTBMNOHLLR-AWEZNQCLSA-N 2 0 238.375 1.532 20 0 BDADRP COCC(C)(C)CC[NH2+][C@H](C)C1C[NH2+]C1 ZINC000718741388 712779989 /nfs/dbraw/zinc/77/99/89/712779989.db2.gz OUOBIMOQKTXQHM-SNVBAGLBSA-N 2 0 214.353 1.247 20 0 BDADRP C[C@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000719777655 712823887 /nfs/dbraw/zinc/82/38/87/712823887.db2.gz HPFULGVLGHYGEA-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000719768437 712823952 /nfs/dbraw/zinc/82/39/52/712823952.db2.gz IFIXNCAQYANVGN-LLVKDONJSA-N 2 0 212.337 1.097 20 0 BDADRP [NH3+]C[C@@H]1C[N@H+](CC2CC2)C[C@@H]1C(F)(F)F ZINC000720872090 712871500 /nfs/dbraw/zinc/87/15/00/712871500.db2.gz OCGDHNWCJSYAQE-BDAKNGLRSA-N 2 0 222.254 1.465 20 0 BDADRP C[C@H](C[NH3+])N(C)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000720868270 712871828 /nfs/dbraw/zinc/87/18/28/712871828.db2.gz XJNLYTULDSJLKR-WYUUTHIRSA-N 2 0 212.337 1.223 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000720875877 712872456 /nfs/dbraw/zinc/87/24/56/712872456.db2.gz XXVYBZYOUDATJM-XGFWRYKXSA-N 2 0 238.375 1.756 20 0 BDADRP [NH3+]CC1CC[NH+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC1 ZINC000720874080 712873365 /nfs/dbraw/zinc/87/33/65/712873365.db2.gz SBPJUYIWLCEXQW-IHRRRGAJSA-N 2 0 238.375 1.615 20 0 BDADRP C[N@H+](C[C@@H]1C[C@@H]2CCC[C@H]2O1)C1CC([NH3+])C1 ZINC000720893096 712874343 /nfs/dbraw/zinc/87/43/43/712874343.db2.gz JFUIWZHVHJGWAE-HQXFNHHZSA-N 2 0 224.348 1.366 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H]2CCC[C@H]2OC)CC1 ZINC000384006802 712893237 /nfs/dbraw/zinc/89/32/37/712893237.db2.gz PIKKJLBYVMCJOU-UONOGXRCSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]1C[N@H+](C)[C@@H](C)CN1c1cc(N)cc[nH+]1 ZINC001164632159 719149009 /nfs/dbraw/zinc/14/90/09/719149009.db2.gz PXFBQEHTOSRWBC-UWVGGRQHSA-N 2 0 220.320 1.193 20 0 BDADRP CCC[NH+]1C[C@H]2C[NH+](CCCCOC)C[C@@H]2C1 ZINC001209219032 957366263 /nfs/dbraw/zinc/36/62/63/957366263.db2.gz AFFIGWISBVJZST-KBPBESRZSA-N 2 0 240.391 1.687 20 0 BDADRP COC[C@H](C)C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693703806 959206260 /nfs/dbraw/zinc/20/62/60/959206260.db2.gz JZLGNGVJLRKDCG-FVCCEPFGSA-N 2 0 240.391 1.635 20 0 BDADRP C[C@H](CN[C@@H]1C[C@H]([NH3+])C12CCC2)[N@H+](C)C1CC1 ZINC000405238373 959425274 /nfs/dbraw/zinc/42/52/74/959425274.db2.gz VBHCKBJEIZUSPJ-KGYLQXTDSA-N 2 0 237.391 1.329 20 0 BDADRP [NH3+][C@@H]1C[C@H](NCC[NH+]2CCCCC2)C12CCC2 ZINC000405218055 959415591 /nfs/dbraw/zinc/41/55/91/959415591.db2.gz LFDMRAOXUGKMNK-OLZOCXBDSA-N 2 0 237.391 1.332 20 0 BDADRP C[NH2+]CCNc1cc[nH+]c2c1ccn2C ZINC001167725957 960245007 /nfs/dbraw/zinc/24/50/07/960245007.db2.gz PCXRSXBLFSZFHZ-UHFFFAOYSA-N 2 0 204.277 1.205 20 0 BDADRP C[C@H](C[C@H]1CCOC1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000689794503 960366089 /nfs/dbraw/zinc/36/60/89/960366089.db2.gz OICNBKSSDJRGNQ-TZMCWYRMSA-N 2 0 238.375 1.653 20 0 BDADRP C[NH+](C)CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709387207 960554624 /nfs/dbraw/zinc/55/46/24/960554624.db2.gz AADGCRIULGOHOM-FUNVUKJBSA-N 3 0 225.380 1.201 20 0 BDADRP C[N@H+](CC1CCOCC1)C[C@@H]1CCCC[NH2+]C1 ZINC000697079097 963708215 /nfs/dbraw/zinc/70/82/15/963708215.db2.gz IMMKBVQHLGHUMW-CQSZACIVSA-N 2 0 240.391 1.735 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1nccc2ncsc21 ZINC001159786576 964201371 /nfs/dbraw/zinc/20/13/71/964201371.db2.gz DVLPLGHXHDTRLU-MRVPVSSYSA-N 2 0 237.332 1.127 20 0 BDADRP Cc1cc(Cl)cc(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001159780053 964197349 /nfs/dbraw/zinc/19/73/49/964197349.db2.gz OTWIACYSEHJWJB-VIFPVBQESA-N 2 0 228.727 1.479 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2CC[C@H](F)C2)CC1 ZINC001168314449 964418285 /nfs/dbraw/zinc/41/82/85/964418285.db2.gz LGOFFKNRBHGAAY-UNXYVOJBSA-N 2 0 214.328 1.903 20 0 BDADRP CCCN(CCC)C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001160858520 964423487 /nfs/dbraw/zinc/42/34/87/964423487.db2.gz HKJLQNFPVHVLAO-NSHDSACASA-N 2 0 229.368 1.091 20 0 BDADRP Cc1cc(N(C)C)[nH+]cc1NCC[NH+](C)C ZINC001161668835 964651250 /nfs/dbraw/zinc/65/12/50/964651250.db2.gz QOURITMUJUZOJG-UHFFFAOYSA-N 2 0 222.336 1.430 20 0 BDADRP C[C@H](CCN[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+](C)C ZINC000697909257 964676790 /nfs/dbraw/zinc/67/67/90/964676790.db2.gz OPBZYSCCGWPZIU-JHJVBQTASA-N 2 0 227.396 1.399 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2CSC2)CC[N@@H+]1C ZINC000697967395 964806573 /nfs/dbraw/zinc/80/65/73/964806573.db2.gz HQNHGOYFLRKGKX-KOLCDFICSA-N 2 0 214.378 1.422 20 0 BDADRP C([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CSC1 ZINC000697998431 964860695 /nfs/dbraw/zinc/86/06/95/964860695.db2.gz BDDYAPBGSSRDCU-VXGBXAGGSA-N 2 0 226.389 1.566 20 0 BDADRP C[C@@H](C[N@@H+]1CCC[C@H]([NH3+])CC1)C(F)(F)F ZINC001205094138 965723109 /nfs/dbraw/zinc/72/31/09/965723109.db2.gz IVSKNFCOHLFKOO-IUCAKERBSA-N 2 0 224.270 1.998 20 0 BDADRP COCC[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699305499 965839621 /nfs/dbraw/zinc/83/96/21/965839621.db2.gz MXVVYPQWVSTKDT-YOGCLGLASA-N 2 0 212.337 1.095 20 0 BDADRP CC1(C[NH3+])C[NH+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001206710944 966185714 /nfs/dbraw/zinc/18/57/14/966185714.db2.gz BJJXCCZGGAXSHN-TUAOUCFPSA-N 2 0 206.333 1.479 20 0 BDADRP C[C@@H]1CC[NH2+]CCN1CC[C@@H]1CCCC[NH2+]1 ZINC001205325994 967546058 /nfs/dbraw/zinc/54/60/58/967546058.db2.gz SQMQUXBBBIGXSC-OLZOCXBDSA-N 2 0 225.380 1.202 20 0 BDADRP COC(C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1)OC ZINC001206295642 968200611 /nfs/dbraw/zinc/20/06/11/968200611.db2.gz MPSZYLKHGGIORA-GFCCVEGCSA-N 2 0 230.352 1.056 20 0 BDADRP C[N@H+](C[C@H](O)C1CC1)C[C@@H]1CCC[NH+](C)C1 ZINC000685985632 968220547 /nfs/dbraw/zinc/22/05/47/968220547.db2.gz WRGWHNMSGLRMIH-YPMHNXCESA-N 2 0 226.364 1.031 20 0 BDADRP C[C@@H](CC[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1)CC(C)(C)C ZINC001206511842 968344976 /nfs/dbraw/zinc/34/49/76/968344976.db2.gz DKNSNPCGUNRRFR-AVGNSLFASA-N 2 0 242.407 1.700 20 0 BDADRP [NH3+]C[C@@H]1CCCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC001206606539 968413507 /nfs/dbraw/zinc/41/35/07/968413507.db2.gz ONAQIGIQEVXAOC-KBPBESRZSA-N 2 0 239.407 1.437 20 0 BDADRP CC1(C)C[N@H+](CCCC[NH3+])[C@](C)(CO)C1 ZINC001206745264 968452050 /nfs/dbraw/zinc/45/20/50/968452050.db2.gz RWCBBLOZTAMVFG-LBPRGKRZSA-N 2 0 214.353 1.208 20 0 BDADRP CCCC[C@H](O)C[NH2+]CCCC[NH+](C)C ZINC001252077059 968493318 /nfs/dbraw/zinc/49/33/18/968493318.db2.gz DAVFCQBSHHARLP-LBPRGKRZSA-N 2 0 216.369 1.469 20 0 BDADRP CCCC[C@@H](O)C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001252087003 968508642 /nfs/dbraw/zinc/50/86/42/968508642.db2.gz VOVBGFTVQBGEOU-HZSPNIEDSA-N 2 0 240.391 1.421 20 0 BDADRP CC[NH+](CC)CCCC[NH2+]CC(C)(C)O ZINC001252365263 968642109 /nfs/dbraw/zinc/64/21/09/968642109.db2.gz OQODWRNJPYXZSD-UHFFFAOYSA-N 2 0 216.369 1.469 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)CN1CC(C)(C)C[NH+](C)C ZINC001207280318 968710124 /nfs/dbraw/zinc/71/01/24/968710124.db2.gz VACSWTWRNONNQW-QWHCGFSZSA-N 2 0 241.423 1.599 20 0 BDADRP C[NH+](C)CC(C)(C)C[N@@H+]1CCCC[C@H](O)C1 ZINC001207275023 968708267 /nfs/dbraw/zinc/70/82/67/968708267.db2.gz INJVVAQHHDXZEQ-LBPRGKRZSA-N 2 0 228.380 1.421 20 0 BDADRP O[C@]1(CF)CCCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC001207436996 968769570 /nfs/dbraw/zinc/76/95/70/968769570.db2.gz ZGXGSBUKUNZKIZ-ZDUSSCGKSA-N 2 0 244.354 1.173 20 0 BDADRP CCC[C@H](O)C[NH2+]CCC[NH+](CC)CC ZINC001252772276 968941490 /nfs/dbraw/zinc/94/14/90/968941490.db2.gz YLYUWMWPINXIAJ-LBPRGKRZSA-N 2 0 216.369 1.469 20 0 BDADRP C[NH+]1CCC(C)(C[N@@H+]2CC[C@](C)(O)C2)CC1 ZINC001208108187 969001956 /nfs/dbraw/zinc/00/19/56/969001956.db2.gz QXKKJCRMIORUAD-ZDUSSCGKSA-N 2 0 226.364 1.175 20 0 BDADRP CC[NH+](CC)C[C@H](O)C[NH2+]C[C@@H]1CC[C@@H](F)C1 ZINC001253202080 969109197 /nfs/dbraw/zinc/10/91/97/969109197.db2.gz CUMQOSVRZYYXTF-JHJVBQTASA-N 2 0 246.370 1.417 20 0 BDADRP C[C@@H]1COCC[N@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208607909 969161184 /nfs/dbraw/zinc/16/11/84/969161184.db2.gz NUXNRRMEFDHZDV-QWHCGFSZSA-N 2 0 226.364 1.297 20 0 BDADRP CC(C)[C@H](O)C[NH2+]CCC[NH+]1CCC(C)CC1 ZINC001253777935 969400154 /nfs/dbraw/zinc/40/01/54/969400154.db2.gz XJAQGKXYIRSSQG-CQSZACIVSA-N 2 0 242.407 1.715 20 0 BDADRP CO[C@@H]1CCC[N@@H+]([C@H]2CCC[NH+](C)CC2)CC1 ZINC001254525799 969716365 /nfs/dbraw/zinc/71/63/65/969716365.db2.gz MFLLZWVNNKMTPC-UONOGXRCSA-N 2 0 240.391 1.972 20 0 BDADRP C[N@@H+]1CCC[C@@H](N2C[C@@H]3C[C@@H]3[C@@H](F)C2)CC1 ZINC001254521770 969713803 /nfs/dbraw/zinc/71/38/03/969713803.db2.gz XFQUDSXJVGXPMF-RNJOBUHISA-N 2 0 226.339 1.761 20 0 BDADRP C[N@@H+]1CC[C@H](Nc2ccc(C[NH3+])c(F)c2)C1 ZINC001255418354 970138432 /nfs/dbraw/zinc/13/84/32/970138432.db2.gz AUIJDMLUWHBJIJ-NSHDSACASA-N 2 0 223.295 1.400 20 0 BDADRP C[NH+](C)[C@@H]1CCCN([C@@H]2CCC[N@H+](C)C2)C1 ZINC001255485337 970232196 /nfs/dbraw/zinc/23/21/96/970232196.db2.gz BLGFLTUYRUXHHJ-CHWSQXEVSA-N 2 0 225.380 1.107 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])CCO1 ZINC001170204895 970570022 /nfs/dbraw/zinc/57/00/22/970570022.db2.gz TUVKCTMDDXTJAA-WISYIIOYSA-N 2 0 212.337 1.413 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H]1C[C@@](C)(O)C1 ZINC001255945353 970575785 /nfs/dbraw/zinc/57/57/85/970575785.db2.gz KLVFQKYWOUOZIF-UPJWGTAASA-N 2 0 228.380 1.610 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]CCSCC[NH3+] ZINC001255952429 970586922 /nfs/dbraw/zinc/58/69/22/970586922.db2.gz UKTRMKQEFAHVIF-LBPRGKRZSA-N 3 0 247.452 1.388 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]C[C@H](O)CF ZINC001255954172 970589052 /nfs/dbraw/zinc/58/90/52/970589052.db2.gz ASLRQKVGPRGEBJ-GHMZBOCLSA-N 2 0 220.332 1.027 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+][C@H](C)CC(=O)OC ZINC001255953182 970591366 /nfs/dbraw/zinc/59/13/66/970591366.db2.gz YJZBZEHDIZJXLD-NWDGAFQWSA-N 2 0 244.379 1.648 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC001255956497 970597761 /nfs/dbraw/zinc/59/77/61/970597761.db2.gz KUHREPAXKKQSCK-HZSPNIEDSA-N 2 0 242.407 1.810 20 0 BDADRP C[C@H]([NH2+][C@H]1CCO[C@H](C)C1)C1CC[NH2+]CC1 ZINC000400668386 970615952 /nfs/dbraw/zinc/61/59/52/970615952.db2.gz RKFXUOIUTQSEEA-MDZLAQPJSA-N 2 0 226.364 1.532 20 0 BDADRP C[NH+]1CC(CNc2cc[nH+]cc2C(F)(F)F)C1 ZINC001170254759 970665921 /nfs/dbraw/zinc/66/59/21/970665921.db2.gz QZBWXPYAPIRQEY-UHFFFAOYSA-N 2 0 245.248 1.496 20 0 BDADRP CCCOC1CCC([NH2+]C2CC([NH3+])C2)CC1 ZINC001173094019 975018512 /nfs/dbraw/zinc/01/85/12/975018512.db2.gz FTRILDUIDMAXOJ-UHFFFAOYSA-N 2 0 226.364 1.804 20 0 BDADRP CCSC[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC001173301855 975202485 /nfs/dbraw/zinc/20/24/85/975202485.db2.gz LZIHFOZSCGHTNU-KXUCPTDWSA-N 2 0 202.367 1.597 20 0 BDADRP CC[N@@H+]1CC[C@H](N2CC[C@H]([NH+](C)C(C)C)C2)C1 ZINC001173366581 975353185 /nfs/dbraw/zinc/35/31/85/975353185.db2.gz ARZVHZAHHIVACX-KBPBESRZSA-N 2 0 239.407 1.495 20 0 BDADRP COCCC[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC001206286081 978239520 /nfs/dbraw/zinc/23/95/20/978239520.db2.gz HWGWXEQYRHJOSN-UHFFFAOYSA-N 2 0 244.379 1.066 20 0 BDADRP [NH3+]CCCC[N@@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001235187463 978994201 /nfs/dbraw/zinc/99/42/01/978994201.db2.gz ZLNFQXAUKDWUOM-NEPJUHHUSA-N 2 0 212.337 1.226 20 0 BDADRP CC(C)[NH+]1CCC(C[N@H+](C)CCCC[NH3+])CC1 ZINC001235673691 979111968 /nfs/dbraw/zinc/11/19/68/979111968.db2.gz CPCXDWIVAXSYTI-UHFFFAOYSA-N 3 0 241.423 1.778 20 0 BDADRP CC[C@H]([NH3+])CN1CCC(C2CC[NH2+]CC2)CC1 ZINC001235703002 979128733 /nfs/dbraw/zinc/12/87/33/979128733.db2.gz ZZXSWPLBAQHQQX-AWEZNQCLSA-N 2 0 239.407 1.435 20 0 BDADRP CC[C@@H]1CNCC[N@@H+]1CCCCCC[NH3+] ZINC001235769921 979144578 /nfs/dbraw/zinc/14/45/78/979144578.db2.gz ZTCIWJCRVYRSMF-GFCCVEGCSA-N 2 0 213.369 1.189 20 0 BDADRP CN(CC[C@H]1CCCC[NH2+]1)C[C@H]1CCC[NH2+]C1 ZINC001235951866 979201495 /nfs/dbraw/zinc/20/14/95/979201495.db2.gz USBRRMUYDAUIDU-UONOGXRCSA-N 2 0 239.407 1.450 20 0 BDADRP CC(C)N(CC[NH3+])CCC[NH2+]C1CCCCC1 ZINC001235947760 979221859 /nfs/dbraw/zinc/22/18/59/979221859.db2.gz FOVVMHSTENYPDG-UHFFFAOYSA-N 2 0 241.423 1.968 20 0 BDADRP CCCN(C[C@H]1CCCC[NH2+]1)C1CC[NH2+]CC1 ZINC001236180469 979439959 /nfs/dbraw/zinc/43/99/59/979439959.db2.gz JLQYXTXASSDCAZ-CYBMUJFWSA-N 2 0 239.407 1.593 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCCN1CC[C@H]1CCCC[NH2+]1 ZINC001236415645 979586080 /nfs/dbraw/zinc/58/60/80/979586080.db2.gz PFSXMXQDORBGNM-JHJVBQTASA-N 2 0 225.380 1.330 20 0 BDADRP C[C@@H]1CC[C@H](NC(=O)C[C@H]([NH3+])C(C)(C)C)C[NH2+]1 ZINC001342230214 979722122 /nfs/dbraw/zinc/72/21/22/979722122.db2.gz YTPYRRINYZCHAS-VWYCJHECSA-N 2 0 241.379 1.007 20 0 BDADRP CN(CC[NH3+])C1CC[NH+](C2CCCCC2)CC1 ZINC001236849879 979759046 /nfs/dbraw/zinc/75/90/46/979759046.db2.gz XHYICPFIHIPPLX-UHFFFAOYSA-N 2 0 239.407 1.674 20 0 BDADRP [NH3+]C[C@H]1CCC(F)(F)CN1C[C@@H]1CCCC[NH2+]1 ZINC001237120741 979821371 /nfs/dbraw/zinc/82/13/71/979821371.db2.gz NWMZFLCFKTXXAE-WDEREUQCSA-N 2 0 247.333 1.187 20 0 BDADRP c1ccc([C@H]2C[NH2+]C[C@]23CCC[NH2+]3)cc1 ZINC001239331624 980538766 /nfs/dbraw/zinc/53/87/66/980538766.db2.gz IVDOUHFTFNIPBY-CHWSQXEVSA-N 2 0 202.301 1.496 20 0 BDADRP O[C@H]1CCCC[C@H]1CC[NH2+]C1CC2(C[NH2+]C2)C1 ZINC001580886101 981706202 /nfs/dbraw/zinc/70/62/02/981706202.db2.gz YDADECVDUONIGC-AAEUAGOBSA-N 2 0 238.375 1.269 20 0 BDADRP CC(C)(C)[C@H]([NH3+])CC(=O)NCCC[NH2+]C1CC1 ZINC001354133096 983168045 /nfs/dbraw/zinc/16/80/45/983168045.db2.gz ZIGPHLWDLLDNON-LLVKDONJSA-N 2 0 241.379 1.008 20 0 BDADRP CC[C@@H](C)C[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001201516766 983314379 /nfs/dbraw/zinc/31/43/79/983314379.db2.gz AZKLPVCEAPWBGF-JHJVBQTASA-N 2 0 210.365 1.916 20 0 BDADRP CCCC[C@H](O)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC001252107152 983671854 /nfs/dbraw/zinc/67/18/54/983671854.db2.gz FUCLJJBCIQBNFA-AWEZNQCLSA-N 2 0 242.407 2.000 20 0 BDADRP CC(C)C[C@@H]([NH3+])CC(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC001358003258 983812934 /nfs/dbraw/zinc/81/29/34/983812934.db2.gz HEDBSMAODXRJGS-IJLUTSLNSA-N 2 0 241.379 1.136 20 0 BDADRP CC(C)OCC[C@H](C)[NH2+]CCSCC[NH3+] ZINC001172441727 974802037 /nfs/dbraw/zinc/80/20/37/974802037.db2.gz OWNADHYVIPEAFI-NSHDSACASA-N 2 0 234.409 1.472 20 0 BDADRP CC(C)OCC[C@@H](C)[N@H+](C)C[C@H](C)C[NH3+] ZINC001172442085 974802311 /nfs/dbraw/zinc/80/23/11/974802311.db2.gz RHIJNENBSCWHAU-VXGBXAGGSA-N 2 0 216.369 1.717 20 0 BDADRP CC(C)COCC[C@H](C)[NH2+]CCSCC[NH3+] ZINC001172463354 974828779 /nfs/dbraw/zinc/82/87/79/974828779.db2.gz MSEWVWQLARYDDK-LBPRGKRZSA-N 2 0 248.436 1.719 20 0 BDADRP C[C@H]1C[C@@H]([N@@H+]2CCC[C@@](C)(C[NH3+])CC2)CC[NH2+]1 ZINC001246579274 972914883 /nfs/dbraw/zinc/91/48/83/972914883.db2.gz UAQNBBQHRXTQQA-MELADBBJSA-N 3 0 239.407 1.578 20 0 BDADRP C[NH2+]CC[C@@H](C)N1CCC2(CCCC[NH2+]2)CC1 ZINC001246606334 973022938 /nfs/dbraw/zinc/02/29/38/973022938.db2.gz AACVVKKPCYYGRZ-CYBMUJFWSA-N 2 0 239.407 1.593 20 0 BDADRP CC(C)CC[C@H](C)[NH2+]C1(CO)CCN(C)CC1 ZINC001256366193 970773823 /nfs/dbraw/zinc/77/38/23/970773823.db2.gz PHHSKMNCUGHONC-ZDUSSCGKSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@@H](Cc1ccccn1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC001256403765 970810481 /nfs/dbraw/zinc/81/04/81/970810481.db2.gz ALBXDCPCBDYGIJ-OBJOEFQTSA-N 2 0 233.359 1.872 20 0 BDADRP CN(C1CC[NH+](C(C)(C)C)CC1)C(C)(C)C[NH3+] ZINC001256564808 970862127 /nfs/dbraw/zinc/86/21/27/970862127.db2.gz UKQYFOKZUFIGLX-UHFFFAOYSA-N 2 0 241.423 1.918 20 0 BDADRP COCC(C)(C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256614841 970877762 /nfs/dbraw/zinc/87/77/62/970877762.db2.gz KVAFAIUCTCUUTB-YOGCLGLASA-N 2 0 226.364 1.626 20 0 BDADRP [NH3+]C[C@@H]1C[N@H+](CC2CC2)CCC1(F)F ZINC000403206867 970892142 /nfs/dbraw/zinc/89/21/42/970892142.db2.gz DAOIFRFQZKFEHE-SECBINFHSA-N 2 0 204.264 1.312 20 0 BDADRP CCO[C@@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001256629765 970892266 /nfs/dbraw/zinc/89/22/66/970892266.db2.gz TYZJKAQGSPDIGC-QNMSZWNNSA-N 2 0 238.375 1.722 20 0 BDADRP CC1([NH2+]C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC001256675592 970914131 /nfs/dbraw/zinc/91/41/31/970914131.db2.gz DNWPUTLYAPNJFT-UHFFFAOYSA-N 2 0 238.375 1.772 20 0 BDADRP C[C@@H](Cc1ccncc1)[NH2+]C[C@H]1CC[N@H+](C)C1 ZINC001256719818 970939919 /nfs/dbraw/zinc/93/99/19/970939919.db2.gz UATANOAYWFCISI-GXTWGEPZSA-N 2 0 233.359 1.554 20 0 BDADRP C[C@H](Cc1ccncc1)[N@@H+](C)C[C@@H](C)C[NH3+] ZINC001256726732 970948650 /nfs/dbraw/zinc/94/86/50/970948650.db2.gz BLLOASLMTXXPHI-NWDGAFQWSA-N 2 0 221.348 1.539 20 0 BDADRP C[C@H](Cc1ccncc1)[N@H+](C)CCC[NH+](C)C ZINC001256732595 970956937 /nfs/dbraw/zinc/95/69/37/970956937.db2.gz FTFIRUUPVFDYDW-CYBMUJFWSA-N 2 0 235.375 1.896 20 0 BDADRP [NH3+]CC1([NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC001256804078 970991680 /nfs/dbraw/zinc/99/16/80/970991680.db2.gz LOHWHJMNUPNCES-ZIAGYGMSSA-N 2 0 246.354 1.988 20 0 BDADRP c1cc(N2CCC([NH2+]C[C@@H]3CCO3)CC2)cc[nH+]1 ZINC001256848697 970998014 /nfs/dbraw/zinc/99/80/14/970998014.db2.gz SKIZXNHSDDAREL-AWEZNQCLSA-N 2 0 247.342 1.429 20 0 BDADRP C[N@H+](CCF)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256865729 971000951 /nfs/dbraw/zinc/00/09/51/971000951.db2.gz TWKSREJZXSBTAC-UHFFFAOYSA-N 2 0 237.322 1.952 20 0 BDADRP [NH3+]Cc1ccnn1[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256894372 971011872 /nfs/dbraw/zinc/01/18/72/971011872.db2.gz HUPYEJZHONNQKN-AWEZNQCLSA-N 2 0 248.374 1.921 20 0 BDADRP C[C@@H](C[NH3+])CN[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256910400 971018560 /nfs/dbraw/zinc/01/85/60/971018560.db2.gz ZFQDKGGBFGRYCZ-QWHCGFSZSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@H](C[NH3+])CN[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256910396 971019804 /nfs/dbraw/zinc/01/98/04/971019804.db2.gz ZFQDKGGBFGRYCZ-CHWSQXEVSA-N 2 0 239.407 1.578 20 0 BDADRP COC(=O)[C@@H]1CC[C@@H]([NH+]2CCC(C)([NH3+])CC2)C1 ZINC001170519777 971085475 /nfs/dbraw/zinc/08/54/75/971085475.db2.gz OTZQPTNVPQVHSI-GHMZBOCLSA-N 2 0 240.347 1.141 20 0 BDADRP C[C@H]1CC([N@H+](C)C2CCN(C)CC2)C[C@H](C)O1 ZINC001257088151 971095583 /nfs/dbraw/zinc/09/55/83/971095583.db2.gz WWAJEOFSQCFNME-RYUDHWBXSA-N 2 0 240.391 1.968 20 0 BDADRP C[C@@H]1C[C@@H]([N@H+](C)C2CCN(C)CC2)C[C@H](C)O1 ZINC001257088149 971097741 /nfs/dbraw/zinc/09/77/41/971097741.db2.gz WWAJEOFSQCFNME-DABQJJPHSA-N 2 0 240.391 1.968 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@@]2(C)CCOC2)CC1 ZINC001257213378 971123525 /nfs/dbraw/zinc/12/35/25/971123525.db2.gz LRBRXYONUJOJHO-ZDUSSCGKSA-N 2 0 226.364 1.628 20 0 BDADRP CC(C)[NH+]1CCC(N(C)C[C@H](C)C[NH3+])CC1 ZINC001257209985 971127196 /nfs/dbraw/zinc/12/71/96/971127196.db2.gz DSDYJSMIHFPENQ-GFCCVEGCSA-N 2 0 227.396 1.386 20 0 BDADRP Cc1cnc(C[NH3+])n1C1CC[NH+](C(C)C)CC1 ZINC001257207840 971129653 /nfs/dbraw/zinc/12/96/53/971129653.db2.gz NOODDSVBTISRLP-UHFFFAOYSA-N 2 0 236.363 1.696 20 0 BDADRP CC(C)[NH+]1CCC(N2CC(C)(CO)C2)CC1 ZINC001257215148 971135655 /nfs/dbraw/zinc/13/56/55/971135655.db2.gz SZUIKXXVFNXSGF-UHFFFAOYSA-N 2 0 226.364 1.173 20 0 BDADRP CCC(CC)[NH2+]C[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+] ZINC001257290042 971174957 /nfs/dbraw/zinc/17/49/57/971174957.db2.gz LCBIEHCRVJPDRB-UPJWGTAASA-N 2 0 244.379 1.489 20 0 BDADRP C[C@@H](Nc1cccn2c[nH+]cc12)[C@H]1C[NH2+]CCO1 ZINC001170569584 971205437 /nfs/dbraw/zinc/20/54/37/971205437.db2.gz JVMIPCWHCWNLOC-ZWNOBZJWSA-N 2 0 246.314 1.123 20 0 BDADRP CSCC[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405206615 971205930 /nfs/dbraw/zinc/20/59/30/971205930.db2.gz AOTIERKLMUJXSB-DCAQKATOSA-N 2 0 228.405 1.988 20 0 BDADRP CSCC[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405206618 971205967 /nfs/dbraw/zinc/20/59/67/971205967.db2.gz AOTIERKLMUJXSB-GARJFASQSA-N 2 0 228.405 1.988 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)O1 ZINC000405212248 971207526 /nfs/dbraw/zinc/20/75/26/971207526.db2.gz IOOXAQYQRUNWGO-WYUUTHIRSA-N 2 0 224.348 1.413 20 0 BDADRP CC[C@H](C)[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)OC ZINC000405215559 971207666 /nfs/dbraw/zinc/20/76/66/971207666.db2.gz JUQZVMAZRNYVGD-WUHRBBMRSA-N 2 0 240.391 1.907 20 0 BDADRP C[C@]1(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CCOC1 ZINC000405207208 971208535 /nfs/dbraw/zinc/20/85/35/971208535.db2.gz GPFXFATUVLKTRP-SDDRHHMPSA-N 2 0 224.348 1.273 20 0 BDADRP C[N@@H+]1CCC[C@H](CN[C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000405227129 971215797 /nfs/dbraw/zinc/21/57/97/971215797.db2.gz PAWKPZQQGNGIBX-JHJVBQTASA-N 2 0 237.391 1.188 20 0 BDADRP CCC[C@H](C)N(CC[NH+](C)C)CC[NH+](C)C ZINC001257320235 971217183 /nfs/dbraw/zinc/21/71/83/971217183.db2.gz HYMDXTUYIYOCKA-ZDUSSCGKSA-N 2 0 229.412 1.600 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCCn2cccn2)C12CCC2 ZINC000405242582 971219495 /nfs/dbraw/zinc/21/94/95/971219495.db2.gz CAJJXLFLRLZWAW-VXGBXAGGSA-N 2 0 234.347 1.133 20 0 BDADRP CC(C)(O)CC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405313186 971230220 /nfs/dbraw/zinc/23/02/20/971230220.db2.gz PZROGHCTWUJDKN-UWVGGRQHSA-N 2 0 212.337 1.007 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CCCCCO)C12CCC2 ZINC000405304381 971231574 /nfs/dbraw/zinc/23/15/74/971231574.db2.gz LISGSUIQRZWMIZ-MNOVXSKESA-N 2 0 212.337 1.009 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCCn2ccnc2)C12CCC2 ZINC000405303896 971231851 /nfs/dbraw/zinc/23/18/51/971231851.db2.gz JWTLNODCBBBKJC-VXGBXAGGSA-N 2 0 234.347 1.133 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]CCC2(O)CCC2)C12CCC2 ZINC000405299741 971232883 /nfs/dbraw/zinc/23/28/83/971232883.db2.gz ITVJWORILYGEBO-QWRGUYRKSA-N 2 0 224.348 1.151 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]CCN2CC=CCC2)C12CCC2 ZINC000405335837 971238680 /nfs/dbraw/zinc/23/86/80/971238680.db2.gz ZFTAWSBLVQOFEY-QWHCGFSZSA-N 2 0 235.375 1.108 20 0 BDADRP CCOCCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405340425 971237107 /nfs/dbraw/zinc/23/71/07/971237107.db2.gz HTFZDBARJRQQMS-WDEREUQCSA-N 2 0 212.337 1.273 20 0 BDADRP CC(C)[N@@H+](C)C[C@@H](C)N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405352401 971241292 /nfs/dbraw/zinc/24/12/92/971241292.db2.gz OZRSJGHLGWTCGT-UPJWGTAASA-N 2 0 239.407 1.575 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CC2CCOCC2)C12CCC2 ZINC000405346242 971242168 /nfs/dbraw/zinc/24/21/68/971242168.db2.gz LCLSJALXFUAKHE-NEPJUHHUSA-N 2 0 224.348 1.273 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405378836 971245940 /nfs/dbraw/zinc/24/59/40/971245940.db2.gz CGSYAVGMFXXYSM-WOPDTQHZSA-N 2 0 226.364 1.397 20 0 BDADRP CCC(O)(CC)C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405388010 971246362 /nfs/dbraw/zinc/24/63/62/971246362.db2.gz FPOXILWSTAIDBR-QWRGUYRKSA-N 2 0 226.364 1.397 20 0 BDADRP C[C@H](CC(C)(C)O)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405393507 971246852 /nfs/dbraw/zinc/24/68/52/971246852.db2.gz HNPWSCLJDLJURB-VWYCJHECSA-N 2 0 226.364 1.395 20 0 BDADRP CC(C)[N@H+](C)CCN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405424671 971253657 /nfs/dbraw/zinc/25/36/57/971253657.db2.gz QOIUYZLAFRGPRN-VXGBXAGGSA-N 2 0 225.380 1.186 20 0 BDADRP COCC(C)(C)C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405440892 971254953 /nfs/dbraw/zinc/25/49/53/971254953.db2.gz VNYUPGQVZXFNNB-MNOVXSKESA-N 2 0 226.364 1.519 20 0 BDADRP CCCCCC[C@H](C)[NH2+]C[C@@H](O)C[NH3+] ZINC001257360170 971274248 /nfs/dbraw/zinc/27/42/48/971274248.db2.gz KGMJIZLSCDBNJM-QWRGUYRKSA-N 2 0 202.342 1.255 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CO[C@H](C)[C@H]1C)C[NH+]1CCCC1 ZINC000405565408 971275314 /nfs/dbraw/zinc/27/53/14/971275314.db2.gz ZZJYHBNKSIYQSL-AAVRWANBSA-N 2 0 240.391 1.731 20 0 BDADRP CCCCCC[C@@H](C)[NH2+]C[C@H](O)C[NH3+] ZINC001257360168 971276250 /nfs/dbraw/zinc/27/62/50/971276250.db2.gz KGMJIZLSCDBNJM-GHMZBOCLSA-N 2 0 202.342 1.255 20 0 BDADRP CN(CCC[NH+](C)C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352913334 971294756 /nfs/dbraw/zinc/29/47/56/971294756.db2.gz GZESOQTZEBBQLC-PBWFPOADSA-N 2 0 239.407 1.495 20 0 BDADRP Cc1ccc(CN2CC[C@@](C)([NH3+])C2)s1 ZINC000405782360 971306545 /nfs/dbraw/zinc/30/65/45/971306545.db2.gz HZNOENQNIJFTAF-LLVKDONJSA-N 2 0 210.346 1.980 20 0 BDADRP C[C@]1([NH3+])CCN(CCc2ccc3c(c2)CCO3)C1 ZINC000405912862 971318609 /nfs/dbraw/zinc/31/86/09/971318609.db2.gz ZALUNGLFLWODIP-HNNXBMFYSA-N 2 0 246.354 1.587 20 0 BDADRP CC[C@@H](C)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001257442520 971355446 /nfs/dbraw/zinc/35/54/46/971355446.db2.gz JSOXWWAFEGYYBR-CQSZACIVSA-N 2 0 243.439 1.990 20 0 BDADRP F[C@H]1CC[NH2+]C[C@@H]1OCC[C@@H]1CCC[NH2+]C1 ZINC001217768036 971380187 /nfs/dbraw/zinc/38/01/87/971380187.db2.gz SEEBBFQBJJRTPO-SRVKXCTJSA-N 2 0 230.327 1.093 20 0 BDADRP C(CO[C@H]1CCCC[NH2+]C1)C[C@@H]1CCC[NH2+]C1 ZINC001217774070 971397131 /nfs/dbraw/zinc/39/71/31/971397131.db2.gz SYGPWRMENCQRKV-KBPBESRZSA-N 2 0 240.391 1.925 20 0 BDADRP CC(C)[C@H]([NH3+])CO[C@@H]1C[NH2+]CCC[C@H]1F ZINC001217776561 971400158 /nfs/dbraw/zinc/40/01/58/971400158.db2.gz YDDGBHOSWDJCCL-GMTAPVOTSA-N 2 0 218.316 1.076 20 0 BDADRP C[C@@H]1C[C@H](OCCC[C@@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001217790719 971410969 /nfs/dbraw/zinc/41/09/69/971410969.db2.gz XQGRPBJSEYQNOV-AGIUHOORSA-N 2 0 226.364 1.533 20 0 BDADRP CC[N@@H+]1CC[C@@H](OC[C@@H]2CCC[NH2+]C2)C1 ZINC001217832842 971425726 /nfs/dbraw/zinc/42/57/26/971425726.db2.gz KYJOANHXYGLJIL-VXGBXAGGSA-N 2 0 212.337 1.097 20 0 BDADRP C(O[C@H]1C[NH+]2CCC1CC2)[C@H]1CCC[NH2+]C1 ZINC001217858803 971451730 /nfs/dbraw/zinc/45/17/30/971451730.db2.gz WFTIPHYQKLDNJI-AAEUAGOBSA-N 2 0 224.348 1.097 20 0 BDADRP [NH3+]CCCCCCCO[C@H]1CCC[NH2+]C1 ZINC001217859349 971452234 /nfs/dbraw/zinc/45/22/34/971452234.db2.gz GXMNLTNOJVDCJE-LBPRGKRZSA-N 2 0 214.353 1.664 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+][C@@H]1CCCSC1 ZINC001257668743 971469646 /nfs/dbraw/zinc/46/96/46/971469646.db2.gz UXJSWDFBCJHCGZ-KXUCPTDWSA-N 2 0 200.351 1.351 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]1OCC[C@H]1CCC[NH2+]C1 ZINC001217879378 971474323 /nfs/dbraw/zinc/47/43/23/971474323.db2.gz RWRGEQWQWKYDDN-OLZOCXBDSA-N 2 0 240.391 1.781 20 0 BDADRP C1=C[C@H](OCc2ccc3c(c2)CC[NH2+]C3)C[NH2+]C1 ZINC001217883860 971480596 /nfs/dbraw/zinc/48/05/96/971480596.db2.gz UVWRFNAAISWLKW-HNNXBMFYSA-N 2 0 244.338 1.377 20 0 BDADRP [NH3+]Cc1cccc(CO[C@H]2C[NH2+]CCC23CC3)c1 ZINC001217912210 971513386 /nfs/dbraw/zinc/51/33/86/971513386.db2.gz HRBGDCDWUPPPJR-AWEZNQCLSA-N 2 0 246.354 1.804 20 0 BDADRP FC1(F)CC[NH2+]C[C@H]1OCCC1CC[NH2+]CC1 ZINC001217928143 971531487 /nfs/dbraw/zinc/53/14/87/971531487.db2.gz SEHPUGACHDCHIJ-LLVKDONJSA-N 2 0 248.317 1.390 20 0 BDADRP [NH3+]Cc1ccc(O[C@@H]2CCC[NH2+]C[C@H]2F)cc1 ZINC001217949753 971540421 /nfs/dbraw/zinc/54/04/21/971540421.db2.gz LZGXWOCXUZRKJF-CHWSQXEVSA-N 2 0 238.306 1.614 20 0 BDADRP [NH3+]CCCCCCCO[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001217934452 971536766 /nfs/dbraw/zinc/53/67/66/971536766.db2.gz IZDYXPRWFVKCRC-YNEHKIRRSA-N 2 0 226.364 1.805 20 0 BDADRP CC1(C)[NH2+][C@H](CO[C@@H]2CC[NH2+]C(C)(C)C2)CO1 ZINC001217936258 971539447 /nfs/dbraw/zinc/53/94/47/971539447.db2.gz DMNQBDHXNXUVBZ-GHMZBOCLSA-N 2 0 242.363 1.258 20 0 BDADRP C[NH2+][C@H]1C[C@H](Oc2ccc3c(c2)C[NH2+]C3)C1 ZINC001217955119 971541965 /nfs/dbraw/zinc/54/19/65/971541965.db2.gz WZBJCXFBUFRVMC-AULYBMBSSA-N 2 0 218.300 1.419 20 0 BDADRP [NH3+]Cc1ccccc1O[C@@H]1CCC[NH2+]C[C@@H]1F ZINC001217947575 971543120 /nfs/dbraw/zinc/54/31/20/971543120.db2.gz JEFKQAYVMNSWTN-WCQYABFASA-N 2 0 238.306 1.614 20 0 BDADRP [NH3+]Cc1cccc(O[C@H]2C[NH2+]CC[C@@H]2F)c1 ZINC001217960441 971547183 /nfs/dbraw/zinc/54/71/83/971547183.db2.gz ZSQPIAMYBVTOSP-RYUDHWBXSA-N 2 0 224.279 1.224 20 0 BDADRP CO[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC(C)C)CC2)C1 ZINC001258003033 971549253 /nfs/dbraw/zinc/54/92/53/971549253.db2.gz VOGTVSAMTJPBLB-OKILXGFUSA-N 2 0 240.391 1.874 20 0 BDADRP CC(C)C[NH+]1CCC([N@@H+]2CCC[C@H]2CO)CC1 ZINC001258013805 971551293 /nfs/dbraw/zinc/55/12/93/971551293.db2.gz XONKWKLXELZTBG-AWEZNQCLSA-N 2 0 240.391 1.564 20 0 BDADRP CC(C)C[NH+]1CCC(n2cnc(C[NH3+])c2)CC1 ZINC001258001632 971552420 /nfs/dbraw/zinc/55/24/20/971552420.db2.gz XVAZQQKMQZTGTF-UHFFFAOYSA-N 2 0 236.363 1.635 20 0 BDADRP C[C@H]1C[NH2+]CCC[C@H]1Oc1ccc(C[NH3+])cc1 ZINC001217990123 971562033 /nfs/dbraw/zinc/56/20/33/971562033.db2.gz HGTXWKFTQMAQTG-SMDDNHRTSA-N 2 0 234.343 1.912 20 0 BDADRP C[C@H]([NH3+])c1ccc(O[C@@H]2C[NH2+]C[C@@H]2F)cc1 ZINC001218003182 971566645 /nfs/dbraw/zinc/56/66/45/971566645.db2.gz ZGFKLPVCFURTAG-KPXOXKRLSA-N 2 0 224.279 1.395 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1Oc1cccc2c1C[NH2+]C2 ZINC001218033527 971577383 /nfs/dbraw/zinc/57/73/83/971577383.db2.gz BERLNWIWWNCGAM-NOZJJQNGSA-N 2 0 218.300 1.277 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1Oc1cccc(C[NH3+])c1 ZINC001218034487 971582047 /nfs/dbraw/zinc/58/20/47/971582047.db2.gz SSRQZRQUQOZLBP-BXKDBHETSA-N 2 0 206.289 1.132 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1Oc1ccccc1C[NH3+] ZINC001218043060 971583800 /nfs/dbraw/zinc/58/38/00/971583800.db2.gz CCWYCTCXMPMIMA-ZWNOBZJWSA-N 2 0 220.316 1.522 20 0 BDADRP [NH3+]Cc1cccc(OC2CC3(C2)CC[NH2+]C3)c1 ZINC001218063773 971594439 /nfs/dbraw/zinc/59/44/39/971594439.db2.gz NKTTWNHCLYYKJM-UHFFFAOYSA-N 2 0 232.327 1.666 20 0 BDADRP C[C@H]1C[C@H](Oc2ccc3c(n2)CC[NH2+]C3)CC[NH2+]1 ZINC001218059053 971594783 /nfs/dbraw/zinc/59/47/83/971594783.db2.gz IPWZIHOCKDEOLE-CMPLNLGQSA-N 2 0 247.342 1.247 20 0 BDADRP [NH3+][C@@H]1CCN(CC[C@@H]2CCCC[NH2+]2)CC[C@@H]1F ZINC001206155422 974267713 /nfs/dbraw/zinc/26/77/13/974267713.db2.gz LJCCLLCNVYQCGG-RWMBFGLXSA-N 2 0 243.370 1.280 20 0 BDADRP C[C@H]1C[C@@H](Oc2ccc3c(n2)CC[NH2+]C3)CC[NH2+]1 ZINC001218059055 971592950 /nfs/dbraw/zinc/59/29/50/971592950.db2.gz IPWZIHOCKDEOLE-JQWIXIFHSA-N 2 0 247.342 1.247 20 0 BDADRP [NH3+]Cc1cccc(O[C@H]2CC[NH2+]C[C@@H]2F)c1 ZINC001218073683 971597828 /nfs/dbraw/zinc/59/78/28/971597828.db2.gz VQFSXQWQRGTADM-RYUDHWBXSA-N 2 0 224.279 1.224 20 0 BDADRP [NH3+]Cc1ccccc1O[C@H]1CC[C@@]12CC[NH2+]C2 ZINC001218117780 971600696 /nfs/dbraw/zinc/60/06/96/971600696.db2.gz MOWXYPLRRKCKCL-KBPBESRZSA-N 2 0 232.327 1.666 20 0 BDADRP [NH3+]Cc1cccc(O[C@@H]2CC[C@]23CC[NH2+]C3)c1 ZINC001218120033 971603881 /nfs/dbraw/zinc/60/38/81/971603881.db2.gz SALBOIZSHVAOTO-ZIAGYGMSSA-N 2 0 232.327 1.666 20 0 BDADRP C[C@H]([NH3+])c1ccc(O[C@H]2[C@@H]3C[C@H]2C[NH2+]C3)cc1 ZINC001218150689 971606880 /nfs/dbraw/zinc/60/68/80/971606880.db2.gz PCIWQBQKWOSGST-PQFRYHKHSA-N 2 0 232.327 1.693 20 0 BDADRP Cc1cc2[nH]ccc2c(NC[C@H]2COCC[NH2+]2)[nH+]1 ZINC001159043661 971643501 /nfs/dbraw/zinc/64/35/01/971643501.db2.gz GJMWKWJHEWXOKZ-JTQLQIEISA-N 2 0 246.314 1.272 20 0 BDADRP CC1(C)[C@@H]2C[C@@H](NC(=[NH2+])NCCCC[NH3+])C[C@@H]21 ZINC001170721022 971651270 /nfs/dbraw/zinc/65/12/70/971651270.db2.gz PSLTXHNAMVKXJK-RTCCRHLQSA-N 2 0 238.379 1.274 20 0 BDADRP C[C@@H]1[NH2+]C[C@H]1Oc1ccc2c(c1)CC[NH2+]C2 ZINC001218381352 971759027 /nfs/dbraw/zinc/75/90/27/971759027.db2.gz DONMTMYDGZPXQU-TVQRCGJNSA-N 2 0 218.300 1.071 20 0 BDADRP C[C@H]1CC[C@H](Oc2ccc3c(c2)CC[NH2+]C3)C[NH2+]1 ZINC001218396038 971772549 /nfs/dbraw/zinc/77/25/49/971772549.db2.gz ZCBTYNCYMSNBSA-NHYWBVRUSA-N 2 0 246.354 1.852 20 0 BDADRP C[C@H]1CC[C@@H](Oc2cccc(C[NH3+])c2)C[NH2+]1 ZINC001218398163 971775637 /nfs/dbraw/zinc/77/56/37/971775637.db2.gz JCSHUPAMLKLVKJ-GXFFZTMASA-N 2 0 220.316 1.665 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C2C[C@@H]3C=C[C@H](C2)O3)C1 ZINC001172228070 974463062 /nfs/dbraw/zinc/46/30/62/974463062.db2.gz DWHOAAVRVMZBSZ-GJHMDTBVSA-N 2 0 222.332 1.332 20 0 BDADRP C[C@H]1CC[C@@H](Oc2ccc3c(c2)C[NH2+]C3)C[NH2+]1 ZINC001218409950 971783169 /nfs/dbraw/zinc/78/31/69/971783169.db2.gz ZLNVAZFNWFPKNI-IINYFYTJSA-N 2 0 232.327 1.809 20 0 BDADRP [NH3+]Cc1ccccc1O[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]12 ZINC001218462828 971823879 /nfs/dbraw/zinc/82/38/79/971823879.db2.gz XYXUBSMYPPWVFM-YRGRVCCFSA-N 2 0 232.327 1.522 20 0 BDADRP C[C@H](C[NH3+])C[N@H+](C)[C@H]1CCCOCC1 ZINC001170792822 971832050 /nfs/dbraw/zinc/83/20/50/971832050.db2.gz TXSNANOTDBPMGD-MNOVXSKESA-N 2 0 200.326 1.082 20 0 BDADRP [NH3+]CC1(F)CCN(CC[C@H]2CCCC[NH2+]2)CC1 ZINC001222526514 972541540 /nfs/dbraw/zinc/54/15/40/972541540.db2.gz CLTQUCVEBLIJPQ-GFCCVEGCSA-N 2 0 243.370 1.281 20 0 BDADRP [NH3+]CC1(F)CC[NH+](C[C@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC001222527631 972542232 /nfs/dbraw/zinc/54/22/32/972542232.db2.gz NNODRWMQNNEROI-YNEHKIRRSA-N 2 0 238.350 1.961 20 0 BDADRP C[NH+](C)C1CC[NH+]([C@@H]2CCCOCC2)CC1 ZINC001170803795 971852159 /nfs/dbraw/zinc/85/21/59/971852159.db2.gz KWIFHPVPDJJSGJ-CYBMUJFWSA-N 2 0 226.364 1.582 20 0 BDADRP [NH3+]CC1(F)CC[NH+](Cc2ccco2)CC1 ZINC001222532071 972544896 /nfs/dbraw/zinc/54/48/96/972544896.db2.gz JPFHOGUNGIEGMI-UHFFFAOYSA-N 2 0 212.268 1.542 20 0 BDADRP CC(C)[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001135378102 971880980 /nfs/dbraw/zinc/88/09/80/971880980.db2.gz IGEMIHYZSRSXFR-NWDGAFQWSA-N 2 0 243.395 1.219 20 0 BDADRP CN1CC[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC000309970021 971901859 /nfs/dbraw/zinc/90/18/59/971901859.db2.gz OZPVBGBZFHVQAI-OTTFEQOBSA-N 2 0 225.380 1.153 20 0 BDADRP C[C@H](Nc1[nH+]ccc2[nH]ccc21)[C@@H]1C[NH2+]CCO1 ZINC001159488190 971912635 /nfs/dbraw/zinc/91/26/35/971912635.db2.gz ATWLAIKLPWSSHT-CABZTGNLSA-N 2 0 246.314 1.352 20 0 BDADRP CN1CCC[C@@H]2C[N@@H+]([C@H]3CCCOCC3)C[C@H]21 ZINC001170832574 971941092 /nfs/dbraw/zinc/94/10/92/971941092.db2.gz BFVQGSRYXSMNRK-HZSPNIEDSA-N 2 0 238.375 1.582 20 0 BDADRP CCn1cncc1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC000310147660 971950894 /nfs/dbraw/zinc/95/08/94/971950894.db2.gz LYEQLSYKOGQGJO-GFCCVEGCSA-N 2 0 236.363 1.464 20 0 BDADRP C[NH2+]CCC(=O)Nc1ccc(C(C)(C)C[NH3+])cc1 ZINC001218898566 971961408 /nfs/dbraw/zinc/96/14/08/971961408.db2.gz PMBPJANKKLSUKP-UHFFFAOYSA-N 2 0 249.358 1.471 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])C(=O)Nc1ccc2cc[nH]c2c1 ZINC001218942331 971966878 /nfs/dbraw/zinc/96/68/78/971966878.db2.gz HKPCSFMPUGONAH-NSHDSACASA-N 2 0 246.314 1.173 20 0 BDADRP [NH3+]C1(C(=O)Nc2ccc([C@H]3CC[NH2+]C3)cc2)CC1 ZINC001218995525 971971270 /nfs/dbraw/zinc/97/12/70/971971270.db2.gz RCKHJGNUNITPTI-NSHDSACASA-N 2 0 245.326 1.193 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC001219345261 972003436 /nfs/dbraw/zinc/00/34/36/972003436.db2.gz FZOCFGOERRTKKB-VXGBXAGGSA-N 2 0 233.315 1.211 20 0 BDADRP Cc1cc(NC2CC2)nc(NCC[C@@H](C)[NH3+])[nH+]1 ZINC001170886516 972031000 /nfs/dbraw/zinc/03/10/00/972031000.db2.gz HFWJQRWLVAMGLV-MRVPVSSYSA-N 2 0 235.335 1.509 20 0 BDADRP Cc1cc2cc(N[C@@H]([NH3+])CCC[NH3+])ncc2[nH]1 ZINC001170896875 972050125 /nfs/dbraw/zinc/05/01/25/972050125.db2.gz BAEAMEZLTVNPCE-LLVKDONJSA-N 2 0 233.319 1.307 20 0 BDADRP Cc1cc2nc(C)nc(N[C@H]([NH3+])CCC[NH3+])c2[nH]1 ZINC001170898309 972053966 /nfs/dbraw/zinc/05/39/66/972053966.db2.gz SNZZESRTUFNPFJ-JTQLQIEISA-N 2 0 248.334 1.010 20 0 BDADRP CC(C)Oc1ccc(N[C@@H]([NH3+])CCC[NH3+])cn1 ZINC001170899726 972060053 /nfs/dbraw/zinc/06/00/53/972060053.db2.gz LXGGEUJASKHHCH-LLVKDONJSA-N 2 0 238.335 1.304 20 0 BDADRP C=Cc1cccc(N[C@@H]([NH3+])CCC[NH3+])c1 ZINC001170900382 972063519 /nfs/dbraw/zinc/06/35/19/972063519.db2.gz SZFUMXURXXAULX-GFCCVEGCSA-N 2 0 205.305 1.765 20 0 BDADRP Cc1[nH]c2ncc(N[C@@H]([NH3+])CCC[NH3+])cc2c1C ZINC001170900343 972064005 /nfs/dbraw/zinc/06/40/05/972064005.db2.gz KIIHLWQNKWHSFZ-GFCCVEGCSA-N 2 0 247.346 1.615 20 0 BDADRP Cc1ccc(N[C@H]([NH3+])CCC[NH3+])c2cc[nH]c21 ZINC001170900411 972064846 /nfs/dbraw/zinc/06/48/46/972064846.db2.gz KYDFHLBGYNBACX-LBPRGKRZSA-N 2 0 232.331 1.912 20 0 BDADRP Cc1cnc(Cl)cc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170900617 972067262 /nfs/dbraw/zinc/06/72/62/972067262.db2.gz MQEHXCKRUPPKJG-SNVBAGLBSA-N 2 0 228.727 1.479 20 0 BDADRP CCc1cc2cc(N[C@H]([NH3+])CCC[NH3+])cnc2[nH]1 ZINC001170900759 972069318 /nfs/dbraw/zinc/06/93/18/972069318.db2.gz XVPHSFIECZFMNX-LBPRGKRZSA-N 2 0 247.346 1.561 20 0 BDADRP CC(C)(C)c1ncc(N[C@H]([NH3+])CCC[NH3+])cn1 ZINC001170900715 972070307 /nfs/dbraw/zinc/07/03/07/972070307.db2.gz OYFKANSNRQCYCF-JTQLQIEISA-N 2 0 237.351 1.210 20 0 BDADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC(C)(C)C1CC1 ZINC001219671925 972073581 /nfs/dbraw/zinc/07/35/81/972073581.db2.gz WHZQUPIWNKBYDA-NSHDSACASA-N 2 0 241.379 1.008 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccccc1C1CC1 ZINC001170902118 972075151 /nfs/dbraw/zinc/07/51/51/972075151.db2.gz BEKGDVIGHZXDEG-ZDUSSCGKSA-N 2 0 219.332 2.000 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1nccc2ccoc21 ZINC001159779899 972108646 /nfs/dbraw/zinc/10/86/46/972108646.db2.gz KOBIWYAVSVCQHL-SECBINFHSA-N 2 0 220.276 1.263 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])N[C@H](F)c1ccnc(Cl)c1 ZINC001159784466 972110735 /nfs/dbraw/zinc/11/07/35/972110735.db2.gz JBRDUKWUOSLBHW-UWVGGRQHSA-N 2 0 246.717 1.316 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H](O)C(C)(C)C)CC[C@@H]1C[NH3+] ZINC001246018686 972117301 /nfs/dbraw/zinc/11/73/01/972117301.db2.gz FMZKVJQIQTVNPP-JHJVBQTASA-N 2 0 242.407 1.700 20 0 BDADRP CC(C)[C@H]1C[C@H](N[C@H]2CC[C@H](C)[NH2+]C2)CC[NH2+]1 ZINC001246075351 972128403 /nfs/dbraw/zinc/12/84/03/972128403.db2.gz FGNGWMXCSQWLBK-RFQIPJPRSA-N 2 0 239.407 1.493 20 0 BDADRP C[C@@H](Cc1ccncc1)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246074709 972129513 /nfs/dbraw/zinc/12/95/13/972129513.db2.gz BTFZBRMCZUDODH-OBJOEFQTSA-N 2 0 233.359 1.743 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](F)CC2)CC[NH2+]1 ZINC001246090493 972143005 /nfs/dbraw/zinc/14/30/05/972143005.db2.gz YBQVRBWLHOAEFF-WYUUTHIRSA-N 2 0 214.328 1.997 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](CN[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246095505 972149035 /nfs/dbraw/zinc/14/90/35/972149035.db2.gz BLPFLHFPLATWEM-MEBFFEOJSA-N 2 0 237.391 1.105 20 0 BDADRP CC[C@@H]1CC(N[C@@H]2CC[NH2+][C@@H]2C)C[C@@H](CC)[NH2+]1 ZINC001246100354 972155220 /nfs/dbraw/zinc/15/52/20/972155220.db2.gz CRBYPSXFKIEFFS-HKUMRIAESA-N 2 0 239.407 1.636 20 0 BDADRP CCCC[C@@H]1C[C@H](NCC(C)(C)[NH3+])CC[NH2+]1 ZINC001246102018 972160667 /nfs/dbraw/zinc/16/06/67/972160667.db2.gz QRLUGRJPVRQSFY-VXGBXAGGSA-N 2 0 227.396 1.624 20 0 BDADRP C[C@H]1[NH2+]CCC[C@@H]1CNC1CC[NH+](C)CC1 ZINC001246106120 972170127 /nfs/dbraw/zinc/17/01/27/972170127.db2.gz CTOAIVRYTHBFHB-VXGBXAGGSA-N 2 0 225.380 1.058 20 0 BDADRP CC[NH+]1CCC(NC[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC001246106789 972170253 /nfs/dbraw/zinc/17/02/53/972170253.db2.gz FTFLTENTOGJJOR-STQMWFEESA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246106681 972168384 /nfs/dbraw/zinc/16/83/84/972168384.db2.gz DXKKBSVZILMTNH-MEBFFEOJSA-N 2 0 237.391 1.247 20 0 BDADRP C[C@H]1[NH2+]CCC[C@H]1C[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001246110355 972174775 /nfs/dbraw/zinc/17/47/75/972174775.db2.gz LKZXDNDVMGHFIY-YJBUHQLJSA-N 2 0 236.359 1.450 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1CN[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246115638 972181783 /nfs/dbraw/zinc/18/17/83/972181783.db2.gz ZIQGQQONVORYIR-RWMBFGLXSA-N 2 0 239.407 1.495 20 0 BDADRP [NH3+]CC1([NH2+][C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001170973448 972196781 /nfs/dbraw/zinc/19/67/81/972196781.db2.gz CLFMLRZZEOTALA-LLVKDONJSA-N 2 0 234.318 1.764 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])C(=O)NCCC1=CCCCC1 ZINC001220253750 972197843 /nfs/dbraw/zinc/19/78/43/972197843.db2.gz BITDOSUGTGRNAM-LBPRGKRZSA-N 2 0 239.363 1.059 20 0 BDADRP CCOC(=O)CCCC[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC001246185487 972210320 /nfs/dbraw/zinc/21/03/20/972210320.db2.gz FCZRXOBYBDACLN-RYUDHWBXSA-N 2 0 242.363 1.450 20 0 BDADRP C[C@@]1(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[NH2+]C1 ZINC001246191681 972211366 /nfs/dbraw/zinc/21/13/66/972211366.db2.gz XBFZLZOFOAKVSY-ZGVCCVRISA-N 2 0 223.364 1.001 20 0 BDADRP C([NH2+]C1CCC2(C[NH2+]C2)CC1)[C@@H]1CCC[NH2+]C1 ZINC001246198506 972214501 /nfs/dbraw/zinc/21/45/01/972214501.db2.gz PYKQJWOYAWERGQ-GFCCVEGCSA-N 3 0 237.391 1.108 20 0 BDADRP CC[C@@H]1C[C@@H](N[C@H]2C[C@H]([NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246192060 972215873 /nfs/dbraw/zinc/21/58/73/972215873.db2.gz YLAXBZSCVQTTQP-XXCSZPINSA-N 2 0 225.380 1.375 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]C2CN(C3CC[NH2+]CC3)C2)C1 ZINC001246217384 972219418 /nfs/dbraw/zinc/21/94/18/972219418.db2.gz GABWTEQHKJHXEY-VXGBXAGGSA-N 2 0 237.391 1.201 20 0 BDADRP CC(C)(C)[C@H]([NH3+])CC(=O)NCC1([NH3+])CCCC1 ZINC001220497345 972231752 /nfs/dbraw/zinc/23/17/52/972231752.db2.gz RHSDHHCVFSPELZ-SNVBAGLBSA-N 2 0 241.379 1.138 20 0 BDADRP CS[C@@H](C)CC[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001208152549 957033174 /nfs/dbraw/zinc/03/31/74/957033174.db2.gz IABRTPGGVGLZAC-SDDRHHMPSA-N 2 0 228.405 1.621 20 0 BDADRP CC/C=C/NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001220560358 972240429 /nfs/dbraw/zinc/24/04/29/972240429.db2.gz FEUNNKPPPVUIIU-NKLKJHRZSA-N 2 0 227.352 1.086 20 0 BDADRP CCC1(N[C@H]2CC[NH2+][C@@H](C(C)C)C2)C[NH2+]C1 ZINC001246236217 972241841 /nfs/dbraw/zinc/24/18/41/972241841.db2.gz NWVQZMQXVGPAMA-NWDGAFQWSA-N 2 0 225.380 1.105 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cccc3c2OCC3)C1 ZINC000692963579 957107147 /nfs/dbraw/zinc/10/71/47/957107147.db2.gz DXZCGIIPCNHJJG-KGLIPLIRSA-N 2 0 246.354 1.981 20 0 BDADRP [NH3+]CCc1nn([C@@H]2CCC[NH2+]C2)c2ccccc12 ZINC001246262077 972251760 /nfs/dbraw/zinc/25/17/60/972251760.db2.gz AAZXEPIUFSCRCA-LLVKDONJSA-N 2 0 244.342 1.462 20 0 BDADRP COC1CC(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000705481734 957264164 /nfs/dbraw/zinc/26/41/64/957264164.db2.gz KRQZONJTCUDQFD-UZEXVOJHSA-N 2 0 212.337 1.142 20 0 BDADRP Cc1ncccc1C[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC000705532328 957305311 /nfs/dbraw/zinc/30/53/11/957305311.db2.gz MMDDUCPHUVDBLX-AWEZNQCLSA-N 2 0 233.359 1.964 20 0 BDADRP C[N@H+]([C@@H]1COC(C)(C)C1)C1CCC([NH3+])CC1 ZINC000396951555 957395492 /nfs/dbraw/zinc/39/54/92/957395492.db2.gz YTQHJUQQZMEBSP-MCIGGMRASA-N 2 0 226.364 1.756 20 0 BDADRP CC(C)C[NH+]1CCC(NCC[C@H](C)[NH3+])CC1 ZINC001246306952 972266813 /nfs/dbraw/zinc/26/68/13/972266813.db2.gz UJDMLEVJWXBIKW-LBPRGKRZSA-N 2 0 227.396 1.434 20 0 BDADRP CC[NH+]1C[C@@H]2C[NH+](C[C@@H]3C[C@@H]3C)C[C@H]2C1 ZINC001209428279 957455888 /nfs/dbraw/zinc/45/58/88/957455888.db2.gz RSVRKJFEQRTLNZ-WUHRBBMRSA-N 2 0 208.349 1.526 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)Cc1cccnc1 ZINC001246306894 972267672 /nfs/dbraw/zinc/26/76/72/972267672.db2.gz UDQHZZKXUQXGLZ-QWRGUYRKSA-N 2 0 207.321 1.340 20 0 BDADRP CC[C@@H]1C[C@H](N[C@H]2CCC[C@@H]2[NH3+])C[C@H](CC)[NH2+]1 ZINC001246310117 972271395 /nfs/dbraw/zinc/27/13/95/972271395.db2.gz MQIIKAYRXCSHRA-ZSLBOAEBSA-N 2 0 239.407 1.765 20 0 BDADRP Cc1ccc(N2C[C@H]3COC[C@@H](C2)C3[NH3+])[nH+]c1C ZINC001167185309 957527018 /nfs/dbraw/zinc/52/70/18/957527018.db2.gz BYUHFHLLZQSPCQ-ONXXMXGDSA-N 2 0 247.342 1.108 20 0 BDADRP C[NH2+]Cc1cccc(CN[C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC001246321216 972277000 /nfs/dbraw/zinc/27/70/00/972277000.db2.gz AVFXKHQPHXEISD-WFASDCNBSA-N 2 0 247.386 1.636 20 0 BDADRP C[C@H]([NH3+])c1cccc(C(=O)N[C@@H]2CCC[NH2+]C2)c1 ZINC001220896271 972277116 /nfs/dbraw/zinc/27/71/16/972277116.db2.gz HWNQKMZOLUYFCM-GXFFZTMASA-N 2 0 247.342 1.188 20 0 BDADRP CC[C@H](C[NH3+])N[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246319240 972277176 /nfs/dbraw/zinc/27/71/76/972277176.db2.gz UCYOSYIOIQKZTP-QLFBSQMISA-N 2 0 247.386 1.807 20 0 BDADRP Cc1cc2cc[nH]c2c(N[C@H]2CC[N@@H+](C)C2)n1 ZINC001167270009 957613054 /nfs/dbraw/zinc/61/30/54/957613054.db2.gz IPXMSVMLGOTIDJ-NSHDSACASA-N 2 0 230.315 1.987 20 0 BDADRP CCOC(=O)[C@@H]1CCC[C@H]([NH2+]C[C@H]([NH3+])CC)C1 ZINC001246320109 972279092 /nfs/dbraw/zinc/27/90/92/972279092.db2.gz XSDXGHHZRJXBNA-UTUOFQBUSA-N 2 0 242.363 1.435 20 0 BDADRP CNc1ccc(N[C@H]2CC[N@H+](C)C2)cn1 ZINC001167278628 957625381 /nfs/dbraw/zinc/62/53/81/957625381.db2.gz OUZAUPKYTWHXDF-JTQLQIEISA-N 2 0 206.293 1.239 20 0 BDADRP [NH3+][C@@]12CC[C@@]([NH2+][C@H]3CCCOC3)(C1)CCC2 ZINC001246331888 972294213 /nfs/dbraw/zinc/29/42/13/972294213.db2.gz GDMSOMHDBQNCJT-RWMBFGLXSA-N 2 0 224.348 1.559 20 0 BDADRP c1cc2c(cn1)CCC[C@H]2[NH2+]C1CC[NH2+]CC1 ZINC001246464873 972341402 /nfs/dbraw/zinc/34/14/02/972341402.db2.gz UODDJABORZACEJ-CQSZACIVSA-N 2 0 231.343 1.801 20 0 BDADRP C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)NCC3)CC[NH2+]1 ZINC001246475062 972348196 /nfs/dbraw/zinc/34/81/96/972348196.db2.gz REQLGVXXQKPKQS-SMDDNHRTSA-N 2 0 245.370 1.885 20 0 BDADRP CCC[C@H](C)C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222081469 972359752 /nfs/dbraw/zinc/35/97/52/972359752.db2.gz YCCZUEIFYGSTOU-ZDUSSCGKSA-N 2 0 239.407 1.450 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]2C(C)(C)O)CC[NH2+]1 ZINC000707564120 958589495 /nfs/dbraw/zinc/58/94/95/958589495.db2.gz KIWREYDVEYAZHL-WOPDTQHZSA-N 2 0 226.364 1.362 20 0 BDADRP OCC[NH+]1CCCC2(CCCC[NH2+]C2)CCC1 ZINC001222109970 972371923 /nfs/dbraw/zinc/37/19/23/972371923.db2.gz TWZQMDPCQCMPQQ-UHFFFAOYSA-N 2 0 240.391 1.615 20 0 BDADRP C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H](C)S1 ZINC000693564134 958814551 /nfs/dbraw/zinc/81/45/51/958814551.db2.gz ZULSNWDUYDEKAA-DTIDVZRVSA-N 2 0 214.378 1.550 20 0 BDADRP CO[C@H](C)C1CN(CC(C)(C)C[NH+](C)C)C1 ZINC001207289142 958889532 /nfs/dbraw/zinc/88/95/32/958889532.db2.gz ZWPJBVYWNXZWCX-LLVKDONJSA-N 2 0 228.380 1.541 20 0 BDADRP C[N@@H+](Cc1ccc(F)cc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693595709 958915175 /nfs/dbraw/zinc/91/51/75/958915175.db2.gz MABAFHNNPAASTK-BJHJDKERSA-N 2 0 222.307 1.995 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cscn1 ZINC000693599093 958925297 /nfs/dbraw/zinc/92/52/97/958925297.db2.gz RQUNYUPXFBDVLK-CIUDSAMLSA-N 2 0 211.334 1.531 20 0 BDADRP [NH3+]Cc1cccn1-c1cccc2c1C[NH2+]CC2 ZINC001167592767 958988994 /nfs/dbraw/zinc/98/89/94/958988994.db2.gz DFIKDUIRUFNOAU-UHFFFAOYSA-N 2 0 227.311 1.582 20 0 BDADRP C[C@@H]([NH3+])CN1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222160603 972399202 /nfs/dbraw/zinc/39/92/02/972399202.db2.gz GQQSIPDWBLPVHC-KGLIPLIRSA-N 2 0 239.407 1.579 20 0 BDADRP Cn1c[nH+]cc1N1C(C)(C)CC([NH3+])CC1(C)C ZINC001167625020 959110477 /nfs/dbraw/zinc/11/04/77/959110477.db2.gz PXNDDACHPGGUNZ-UHFFFAOYSA-N 2 0 236.363 1.905 20 0 BDADRP [NH3+][C@H](CN1CC[C@]12CCC[NH2+]C2)c1ccccc1 ZINC001222191313 972402581 /nfs/dbraw/zinc/40/25/81/972402581.db2.gz KFDZVXNXFWHITF-CABCVRRESA-N 2 0 245.370 1.514 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)N1CCC[C@@]12CCC[NH2+]C2 ZINC001222230953 972413773 /nfs/dbraw/zinc/41/37/73/972413773.db2.gz HQVXDWROYPLWEC-ZIAGYGMSSA-N 2 0 237.391 1.204 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@H](C)CC[C@H]1C ZINC000300356547 959376921 /nfs/dbraw/zinc/37/69/21/959376921.db2.gz MYLUIQFYIVDTAN-LPWJVIDDSA-N 2 0 210.365 1.962 20 0 BDADRP CO[C@H]1C[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)CC[C@@H]1C ZINC000300354912 959378270 /nfs/dbraw/zinc/37/82/70/959378270.db2.gz FIPIVYQXKZEJCS-RNJOBUHISA-N 2 0 226.364 1.199 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405211212 959415184 /nfs/dbraw/zinc/41/51/84/959415184.db2.gz IDSMPQDMWRXEOQ-UPJWGTAASA-N 2 0 237.391 1.330 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405230094 959420964 /nfs/dbraw/zinc/42/09/64/959420964.db2.gz QJDOUXXUIYHLMJ-SRVKXCTJSA-N 2 0 226.364 1.397 20 0 BDADRP C([C@H]1CCC[NH2+]1)N1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222258519 972428096 /nfs/dbraw/zinc/42/80/96/972428096.db2.gz BYJIKVVBDDUBFC-KGLIPLIRSA-N 2 0 237.391 1.204 20 0 BDADRP Cc1cccnc1CC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405241445 959424285 /nfs/dbraw/zinc/42/42/85/959424285.db2.gz WJAJOWMXKRKGKU-ZIAGYGMSSA-N 2 0 245.370 1.792 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H](CO)C2CCCC2)C12CCC2 ZINC000405496700 959452253 /nfs/dbraw/zinc/45/22/53/959452253.db2.gz QBLJHPPPZDJIAJ-YNEHKIRRSA-N 2 0 238.375 1.397 20 0 BDADRP [NH3+]CCCCCCNC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC001327134529 972432946 /nfs/dbraw/zinc/43/29/46/972432946.db2.gz NKPGCBUKFIKJIE-VXGBXAGGSA-N 2 0 241.379 1.139 20 0 BDADRP CC(C)CC[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000308988750 959551256 /nfs/dbraw/zinc/55/12/56/959551256.db2.gz KMDDFVXNAJKTKS-UHFFFAOYSA-N 2 0 214.353 1.079 20 0 BDADRP [NH3+][C@H]1CC[C@H](CO[C@H]2C[NH2+]CCC[C@@H]2F)CC1 ZINC001217773628 959586314 /nfs/dbraw/zinc/58/63/14/959586314.db2.gz JSRKTTFQJKXZTL-CYDGBPFRSA-N 2 0 244.354 1.611 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC1(C)C)C2 ZINC000308966541 959602008 /nfs/dbraw/zinc/60/20/08/959602008.db2.gz MRFDAAIASNKLII-USZNOCQGSA-N 2 0 208.349 2.000 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCCC(C)(C)CO)CC[NH2+]1 ZINC000709334048 959631983 /nfs/dbraw/zinc/63/19/83/959631983.db2.gz XBJYIOGQJOSSJM-NWDGAFQWSA-N 2 0 228.380 1.515 20 0 BDADRP C(CO[C@@H]1CCC12C[NH2+]C2)C[C@@H]1CCC[NH2+]C1 ZINC001217850064 959658022 /nfs/dbraw/zinc/65/80/22/959658022.db2.gz QMDCHCVGPIYFRR-QWHCGFSZSA-N 2 0 238.375 1.535 20 0 BDADRP CC1(CO[C@H]2C[NH2+]CC[C@H]2F)CC[NH2+]CC1 ZINC001217876800 959699300 /nfs/dbraw/zinc/69/93/00/959699300.db2.gz SMQWIKWFJVIXNR-MNOVXSKESA-N 2 0 230.327 1.093 20 0 BDADRP COC(=O)CC(C)(C)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000694066886 959711335 /nfs/dbraw/zinc/71/13/35/959711335.db2.gz YNDGDUZOJADMKF-NSHDSACASA-N 2 0 242.363 1.402 20 0 BDADRP [NH3+]CCCCN1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385051 972451339 /nfs/dbraw/zinc/45/13/39/972451339.db2.gz DPJQJEMOGRFMSP-CYBMUJFWSA-N 3 0 225.380 1.333 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1Oc1cccc(C[NH3+])c1 ZINC001218031855 959838436 /nfs/dbraw/zinc/83/84/36/959838436.db2.gz UEMMBXSUUYTEQK-BXUZGUMPSA-N 2 0 234.343 1.912 20 0 BDADRP C[C@H]1C[C@@H](Oc2ccc3c(c2)CC[NH2+]C3)CC[NH2+]1 ZINC001218049934 959845585 /nfs/dbraw/zinc/84/55/85/959845585.db2.gz NWKPTUOHIKWLIX-NHYWBVRUSA-N 2 0 246.354 1.852 20 0 BDADRP C[C@@H]1C[C@H](Oc2ccc3c(c2)CC[NH2+]C3)CC[NH2+]1 ZINC001218049931 959846360 /nfs/dbraw/zinc/84/63/60/959846360.db2.gz NWKPTUOHIKWLIX-IAQYHMDHSA-N 2 0 246.354 1.852 20 0 BDADRP C[C@H]1C[C@H](Oc2ccc3c(c2)C[NH2+]C3)CC[NH2+]1 ZINC001218058746 959852107 /nfs/dbraw/zinc/85/21/07/959852107.db2.gz YXZXJTQZFQTUCQ-IINYFYTJSA-N 2 0 232.327 1.809 20 0 BDADRP C[NH2+]CCNc1cc(C[NH+]2CCCCC2)ccn1 ZINC001167723129 960222952 /nfs/dbraw/zinc/22/29/52/960222952.db2.gz KMWOFIWTVPLGCS-UHFFFAOYSA-N 2 0 248.374 1.699 20 0 BDADRP [NH3+]CCc1ccn(-c2cc[nH+]c(C3CC3)c2)n1 ZINC001167731202 960271462 /nfs/dbraw/zinc/27/14/62/960271462.db2.gz BQHSSFUSZNCALB-UHFFFAOYSA-N 2 0 228.299 1.646 20 0 BDADRP C[C@H]1CCCC[N@@H+]1CCN[C@H]1CCC[NH2+][C@H]1C ZINC000925549974 960326242 /nfs/dbraw/zinc/32/62/42/960326242.db2.gz JYNBHWZWBURKAV-IHRRRGAJSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925633264 960483988 /nfs/dbraw/zinc/48/39/88/960483988.db2.gz CTTMYWIZPOICRR-WJTVCTBASA-N 2 0 240.391 1.512 20 0 BDADRP C[C@H]1OCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709401422 960577876 /nfs/dbraw/zinc/57/78/76/960577876.db2.gz BYZIHMXGHNFORV-NXQJVVEESA-N 2 0 210.321 1.036 20 0 BDADRP C[C@H]1COCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709488526 960623123 /nfs/dbraw/zinc/62/31/23/960623123.db2.gz QPPJKAXTMXFTHC-UVYIHGJDSA-N 2 0 224.348 1.284 20 0 BDADRP C[C@H]([NH3+])[C@H](NCC1([NH3+])CCC1)c1ccccc1 ZINC000925701051 960690244 /nfs/dbraw/zinc/69/02/44/960690244.db2.gz ZELXTGQBHSPGLF-AAEUAGOBSA-N 2 0 233.359 1.546 20 0 BDADRP C[NH+](C)CC1CC[NH+](CCC2OCCO2)CC1 ZINC000686606761 960735753 /nfs/dbraw/zinc/73/57/53/960735753.db2.gz DPPNJBMEGQWEJA-UHFFFAOYSA-N 2 0 242.363 1.023 20 0 BDADRP [NH2+]=C(NCCCC[NH3+])Nc1cccc2c1CCN2 ZINC001167881977 961465218 /nfs/dbraw/zinc/46/52/18/961465218.db2.gz ONOKDSZJHJZAIH-UHFFFAOYSA-N 2 0 247.346 1.330 20 0 BDADRP CC(C)[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001268670557 962262705 /nfs/dbraw/zinc/26/27/05/962262705.db2.gz FAXYEQVFABEEAX-VXGBXAGGSA-N 2 0 243.395 1.075 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCCOCC1 ZINC000710454342 962379031 /nfs/dbraw/zinc/37/90/31/962379031.db2.gz LTUJFPWQXNYCQW-QWHCGFSZSA-N 2 0 226.364 1.629 20 0 BDADRP C(C1CC1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000710814967 962481832 /nfs/dbraw/zinc/48/18/32/962481832.db2.gz OUCQJCHONKGQHB-YIONKMFJSA-N 2 0 249.402 1.297 20 0 BDADRP CCC[NH+]1CCC(C[NH2+][C@@H]2COC[C@H]2C)CC1 ZINC000924953841 962611692 /nfs/dbraw/zinc/61/16/92/962611692.db2.gz DRQKTWMZGRHAMV-TZMCWYRMSA-N 2 0 240.391 1.733 20 0 BDADRP Cc1c[nH+]c(N[C@@]23CCC[C@@H]2[NH2+]CC3)cc1N ZINC001155410710 963069042 /nfs/dbraw/zinc/06/90/42/963069042.db2.gz LLZRWRYVCTWWQP-WCQYABFASA-N 2 0 232.331 1.669 20 0 BDADRP CC(C)N(CCC[NH3+])c1cc(N(C)C)cc[nH+]1 ZINC001156118215 963257690 /nfs/dbraw/zinc/25/76/90/963257690.db2.gz XYNNQLXLUUVBCW-UHFFFAOYSA-N 2 0 236.363 1.711 20 0 BDADRP COC[C@@H]1CCCC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000696594045 963268422 /nfs/dbraw/zinc/26/84/22/963268422.db2.gz LDOKEBVBKDBYEA-MCIONIFRSA-N 2 0 240.391 1.590 20 0 BDADRP Cc1ccnc(NC(=[NH2+])NCCCC[NH3+])c1F ZINC001157095944 963531163 /nfs/dbraw/zinc/53/11/63/963531163.db2.gz BAPQEMOPNPIQCL-UHFFFAOYSA-N 2 0 239.298 1.204 20 0 BDADRP N=C(Nc1[nH+]ccc2[nH]ccc21)SCC[NH3+] ZINC001157128156 963534094 /nfs/dbraw/zinc/53/40/94/963534094.db2.gz DEYFEFWXSQBIMW-UHFFFAOYSA-N 2 0 235.316 1.601 20 0 BDADRP F[C@@H]1CC[NH2+]C[C@@H]1Nc1cc2[nH]ccc2c[nH+]1 ZINC001157445311 963608099 /nfs/dbraw/zinc/60/80/99/963608099.db2.gz DLXRZPOQCGRUON-KOLCDFICSA-N 2 0 234.278 1.675 20 0 BDADRP F[C@@H]1CC[NH2+]C[C@@H]1Nc1[nH+]ccc2[nH]ccc21 ZINC001157446144 963608147 /nfs/dbraw/zinc/60/81/47/963608147.db2.gz VIGHKZNRXBOBNG-KOLCDFICSA-N 2 0 234.278 1.675 20 0 BDADRP Cc1ccc(N2CC[C@@](F)(C[NH3+])C2)[nH+]c1C ZINC001157813371 963733678 /nfs/dbraw/zinc/73/36/78/963733678.db2.gz RYACOSHKADBFGS-GFCCVEGCSA-N 2 0 223.295 1.576 20 0 BDADRP CCN(c1cc(N(C)C)cc[nH+]1)[C@H]1CCC[NH2+]C1 ZINC001158203668 963831766 /nfs/dbraw/zinc/83/17/66/963831766.db2.gz BQRGHKNPXQDWDB-ZDUSSCGKSA-N 2 0 248.374 1.726 20 0 BDADRP C[C@]1(C[NH3+])CCCN(c2cc(N)cc[nH+]2)C1 ZINC001158674523 963900003 /nfs/dbraw/zinc/90/00/03/963900003.db2.gz XRWZVUVZCMZHNO-GFCCVEGCSA-N 2 0 220.320 1.229 20 0 BDADRP Cn1ccc2c1cc[nH+]c2N1CC2(C1)C[NH+](C)C2 ZINC001158864568 963946441 /nfs/dbraw/zinc/94/64/41/963946441.db2.gz STDXZSGRVIHXHK-UHFFFAOYSA-N 2 0 242.326 1.325 20 0 BDADRP COc1cc[nH+]c(N2CC3(C2)CCC[NH2+]C3)c1 ZINC001159017401 963973327 /nfs/dbraw/zinc/97/33/27/963973327.db2.gz DRWZALYQAQCERU-UHFFFAOYSA-N 2 0 233.315 1.280 20 0 BDADRP CCOc1cc[nH+]c(N2CCC3(C[NH2+]C3)CC2)c1 ZINC001159042385 963980407 /nfs/dbraw/zinc/98/04/07/963980407.db2.gz TZNWCZJNGLZVKK-UHFFFAOYSA-N 2 0 247.342 1.670 20 0 BDADRP CC1CCC([NH2+]CCSCC[NH3+])CC1 ZINC001168204511 963981538 /nfs/dbraw/zinc/98/15/38/963981538.db2.gz VBFTXNARENAYRT-UHFFFAOYSA-N 2 0 216.394 1.847 20 0 BDADRP C(Nc1ccc2c(c1)C[NH2+]C2)=C1CC[NH2+]CC1 ZINC001159470450 964106713 /nfs/dbraw/zinc/10/67/13/964106713.db2.gz FIHZMLREUFTHCM-UHFFFAOYSA-N 2 0 229.327 1.969 20 0 BDADRP [NH3+]CCOc1ccc(NC=C2CC[NH2+]CC2)cc1 ZINC001159686688 964154340 /nfs/dbraw/zinc/15/43/40/964154340.db2.gz NZMKUJKYLYBJGG-UHFFFAOYSA-N 2 0 247.342 1.703 20 0 BDADRP C1=C(Nc2ccc([C@@H]3CC[NH2+]C3)cc2)C[NH2+]C1 ZINC001159776648 964190818 /nfs/dbraw/zinc/19/08/18/964190818.db2.gz VHDXFWKKTALJSB-GFCCVEGCSA-N 2 0 229.327 1.663 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1cc(Cl)ccn1 ZINC001159780090 964195432 /nfs/dbraw/zinc/19/54/32/964195432.db2.gz PSKNVUFTGHWEKK-MRVPVSSYSA-N 2 0 214.700 1.171 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc2c(n1)CCCC2 ZINC001159784927 964195636 /nfs/dbraw/zinc/19/56/36/964195636.db2.gz MOFIBEWHTWXUAT-GFCCVEGCSA-N 2 0 234.347 1.396 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1cnc2ccccc2n1 ZINC001159780198 964196723 /nfs/dbraw/zinc/19/67/23/964196723.db2.gz UFFAPJCODDLHDZ-NSHDSACASA-N 2 0 231.303 1.065 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc2occc2n1 ZINC001159786329 964199762 /nfs/dbraw/zinc/19/97/62/964199762.db2.gz YGEMWAFPYXVSAV-SNVBAGLBSA-N 2 0 220.276 1.263 20 0 BDADRP Cc1cccc2ccnc(N[C@H]([NH3+])CCC[NH3+])c12 ZINC001159789548 964201928 /nfs/dbraw/zinc/20/19/28/964201928.db2.gz VKIHLPGPPTUEBE-LBPRGKRZSA-N 2 0 244.342 1.979 20 0 BDADRP C1=C(Nc2ccc3c(c2)C[NH2+]CCO3)C[NH2+]C1 ZINC001159796777 964207315 /nfs/dbraw/zinc/20/73/15/964207315.db2.gz JKUHQHNGPLAFEV-UHFFFAOYSA-N 2 0 231.299 1.068 20 0 BDADRP C[N@H+](Cc1ccc(NCC(C)(C)[NH3+])nc1)C1CC1 ZINC001160032379 964241989 /nfs/dbraw/zinc/24/19/89/964241989.db2.gz UGQKRTYNBOHLNO-UHFFFAOYSA-N 2 0 248.374 1.825 20 0 BDADRP CCC[C@@H](CO)[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168298431 964386426 /nfs/dbraw/zinc/38/64/26/964386426.db2.gz SRILJOUAPNXXFA-CPCZMJQVSA-N 2 0 228.380 1.610 20 0 BDADRP CC(C)[N@H+](CCC[NH3+])C1CCC([NH+](C)C)CC1 ZINC001168294986 964389994 /nfs/dbraw/zinc/38/99/94/964389994.db2.gz MHMUZGBGEAEYBL-UHFFFAOYSA-N 3 0 241.423 1.918 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC001168299282 964393114 /nfs/dbraw/zinc/39/31/14/964393114.db2.gz JCWBNMLMRNBRLZ-NGEZQELSSA-N 2 0 224.348 1.094 20 0 BDADRP CC(C)[NH+]1CC(Nc2ccccc2CC[NH3+])C1 ZINC001168314358 964420176 /nfs/dbraw/zinc/42/01/76/964420176.db2.gz MEQOAVNPIZIVMB-UHFFFAOYSA-N 2 0 233.359 1.692 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2CC[C@@H](F)[C@H](O)C2)CC1 ZINC001168313366 964421198 /nfs/dbraw/zinc/42/11/98/964421198.db2.gz AMSJTKKOYTXNHR-FIYWTHMPSA-N 2 0 244.354 1.264 20 0 BDADRP C[C@H]1COCC[N@@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168315367 964425004 /nfs/dbraw/zinc/42/50/04/964425004.db2.gz VJZZLEZXJHJYBL-IYXRBSQSSA-N 2 0 240.391 1.828 20 0 BDADRP C[C@@H]1C[C@@H](O)CC[N@@H+]1C1CCC([NH+](C)C)CC1 ZINC001168327885 964458723 /nfs/dbraw/zinc/45/87/23/964458723.db2.gz RULUJDMJRRJSKO-RYSNWHEDSA-N 2 0 240.391 1.704 20 0 BDADRP CCO[C@@H]1CC[N@@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168329568 964459930 /nfs/dbraw/zinc/45/99/30/964459930.db2.gz XYMOQMDWAHKBSQ-JXQTWKCFSA-N 2 0 240.391 1.970 20 0 BDADRP C[NH+](C)Cc1ccnc(NC/C=C/C[NH3+])c1 ZINC001160982069 964467344 /nfs/dbraw/zinc/46/73/44/964467344.db2.gz BWRAJKHUFJZGTB-ONEGZZNKSA-N 2 0 220.320 1.070 20 0 BDADRP CC[C@@H](C)[N@H+](C)CCNC1=[NH+]CCCCN1 ZINC000697708352 964502347 /nfs/dbraw/zinc/50/23/47/964502347.db2.gz ZVRDOBGJKKVILA-LLVKDONJSA-N 2 0 226.368 1.046 20 0 BDADRP COCC1(C[NH2+]CC[C@H](C)[NH+](C)C)CCC1 ZINC000697854638 964567708 /nfs/dbraw/zinc/56/77/08/964567708.db2.gz ZMRLYTXFJQFSNO-LBPRGKRZSA-N 2 0 228.380 1.733 20 0 BDADRP C[C@H](CC[NH2+]CC[C@H]1CCOC1)[NH+](C)C ZINC000697874489 964599186 /nfs/dbraw/zinc/59/91/86/964599186.db2.gz ZHGVEVUPQNSRKQ-NEPJUHHUSA-N 2 0 214.353 1.343 20 0 BDADRP C[C@H](CC[NH2+]C[C@H]1CCSC1)[NH+](C)C ZINC000697873159 964599285 /nfs/dbraw/zinc/59/92/85/964599285.db2.gz UCHPWALQMLUFQY-GHMZBOCLSA-N 2 0 216.394 1.669 20 0 BDADRP C[C@@H](CC[NH2+]CCCc1cnn(C)c1)[NH+](C)C ZINC000697871141 964600360 /nfs/dbraw/zinc/60/03/60/964600360.db2.gz NWTDRGVCFDSQGA-LBPRGKRZSA-N 2 0 238.379 1.283 20 0 BDADRP C[NH+](C)/C=C/c1ccncc1NCC[NH+](C)C ZINC001161673050 964676654 /nfs/dbraw/zinc/67/66/54/964676654.db2.gz VQRLBXVUOZQPJP-RMKNXTFCSA-N 2 0 234.347 1.587 20 0 BDADRP Cc1ccc(NCCCC[NH+](C)C)[nH+]c1N ZINC001161724964 964716691 /nfs/dbraw/zinc/71/66/91/964716691.db2.gz SFAJIJHMFCVFBU-UHFFFAOYSA-N 2 0 222.336 1.726 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2CSC2)CC[N@@H+]1C ZINC000697967396 964805856 /nfs/dbraw/zinc/80/58/56/964805856.db2.gz HQNHGOYFLRKGKX-MWLCHTKSSA-N 2 0 214.378 1.422 20 0 BDADRP Cc1cc(-n2cnc(C[NH3+])c2)cc(C)[nH+]1 ZINC001162302503 964917944 /nfs/dbraw/zinc/91/79/44/964917944.db2.gz UCTJDKUZMHAFNX-UHFFFAOYSA-N 2 0 202.261 1.343 20 0 BDADRP [NH3+]Cc1cn(-c2ccc([C@@H]3CCC[NH2+]3)cc2)cn1 ZINC001162303953 964919329 /nfs/dbraw/zinc/91/93/29/964919329.db2.gz BGLJFVFUMIRNPH-AWEZNQCLSA-N 2 0 242.326 1.756 20 0 BDADRP Nc1cc[nH+]c(NC[C@]2(CC3CC3)CCC[NH2+]2)c1 ZINC001162349545 964941884 /nfs/dbraw/zinc/94/18/84/964941884.db2.gz BKRKOCQVNFQILJ-CQSZACIVSA-N 2 0 246.358 1.998 20 0 BDADRP Cc1c(N)cc[nH+]c1N[C@H]1CCC[C@H]([NH3+])C1 ZINC001162393017 964952827 /nfs/dbraw/zinc/95/28/27/964952827.db2.gz SMOXWKJEZHMUTP-UWVGGRQHSA-N 2 0 220.320 1.654 20 0 BDADRP Cc1[nH]c2ccc(NC[C@@H]3C[C@H](F)C[NH2+]3)cc2[nH+]1 ZINC001162477738 964991738 /nfs/dbraw/zinc/99/17/38/964991738.db2.gz OKYIMYMNFMRJFZ-ONGXEEELSA-N 2 0 248.305 1.983 20 0 BDADRP C[C@@H]1C[C@@H](CNc2cnc3c(c2)C[NH2+]CC3)C[NH2+]1 ZINC001162556694 965048346 /nfs/dbraw/zinc/04/83/46/965048346.db2.gz QWMKQILPRDDXKI-GHMZBOCLSA-N 2 0 246.358 1.137 20 0 BDADRP [NH3+]Cc1ccnn1-c1ccc([C@H]2CCC[NH2+]2)cc1 ZINC001162593231 965062096 /nfs/dbraw/zinc/06/20/96/965062096.db2.gz DHJYWRYUFZBWMG-CQSZACIVSA-N 2 0 242.326 1.756 20 0 BDADRP [NH3+]C[C@H]1CCCCN1C[C@@H]([NH3+])c1ccccc1 ZINC001204925209 965090292 /nfs/dbraw/zinc/09/02/92/965090292.db2.gz NGIDIGYWLDCCEP-ZIAGYGMSSA-N 2 0 233.359 1.500 20 0 BDADRP CC(C)(C)C(=[NH2+])Nc1cccnc1OC1C[NH2+]C1 ZINC001162665577 965101710 /nfs/dbraw/zinc/10/17/10/965101710.db2.gz JAGHUYOHGIAKCA-UHFFFAOYSA-N 2 0 248.330 1.867 20 0 BDADRP C[C@H]1[NH2+]CC[C@H]1Nc1[nH+]ccc2c1CCN2 ZINC001162667050 965102216 /nfs/dbraw/zinc/10/22/16/965102216.db2.gz UONUUCJHYNGFLF-PSASIEDQSA-N 2 0 218.304 1.212 20 0 BDADRP C1=C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000698205073 965106366 /nfs/dbraw/zinc/10/63/66/965106366.db2.gz NMYDZAAWFJFNCH-AVGNSLFASA-N 2 0 206.333 1.921 20 0 BDADRP C[NH+]1C(C)(C)CC([NH2+]CCO)CC1(C)C ZINC000165454378 965129955 /nfs/dbraw/zinc/12/99/55/965129955.db2.gz ILJDXKORJWWJLG-UHFFFAOYSA-N 2 0 214.353 1.220 20 0 BDADRP CCOc1cc[nH+]c(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)c1 ZINC001162791450 965179749 /nfs/dbraw/zinc/17/97/49/965179749.db2.gz BLCPIJUINDXCGC-KGYLQXTDSA-N 2 0 245.326 1.666 20 0 BDADRP Cc1c[nH+]c(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)cc1C ZINC001162801099 965187205 /nfs/dbraw/zinc/18/72/05/965187205.db2.gz GININLWEVQSUEG-YNEHKIRRSA-N 2 0 229.327 1.884 20 0 BDADRP Cc1c[nH+]c(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)c(N)c1 ZINC001162797892 965187265 /nfs/dbraw/zinc/18/72/65/965187265.db2.gz PRIVPHBUJBBTFF-CKYFFXLPSA-N 2 0 230.315 1.158 20 0 BDADRP CC[NH+]1CCC(OCCCC[NH+](C)C)CC1 ZINC001224992657 965202266 /nfs/dbraw/zinc/20/22/66/965202266.db2.gz RSZRTUZCAMHXPH-UHFFFAOYSA-N 2 0 228.380 1.829 20 0 BDADRP C[C@@H]1CN(C[C@H]2CCC[NH2+]2)C[C@@H](C)S1 ZINC000226670138 965241950 /nfs/dbraw/zinc/24/19/50/965241950.db2.gz WFZLWYKFLLIITL-GMTAPVOTSA-N 2 0 214.378 1.564 20 0 BDADRP CCOCC[C@H](C)N1CCC[C@@H]([NH3+])C1 ZINC001172412590 974677286 /nfs/dbraw/zinc/67/72/86/974677286.db2.gz ZFOOMLLWZJTGNO-WDEREUQCSA-N 2 0 200.326 1.225 20 0 BDADRP CCC[N@H+](CC1CC[NH2+]CC1)C1CCOCC1 ZINC000094011944 965370792 /nfs/dbraw/zinc/37/07/92/965370792.db2.gz CGLULLFPVYPYCF-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP CC[N@@H+](Cc1cccnc1)CC1CC[NH2+]CC1 ZINC000094011519 965371516 /nfs/dbraw/zinc/37/15/16/965371516.db2.gz NIRDOBXJXKXZOR-UHFFFAOYSA-N 2 0 233.359 1.903 20 0 BDADRP C[C@]1(C(F)F)C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000698812064 965528510 /nfs/dbraw/zinc/52/85/10/965528510.db2.gz KJJWEAVHZSLHQA-JFGNBEQYSA-N 2 0 248.317 1.470 20 0 BDADRP Cc1c(N)cc[nH+]c1N[C@@H](C)C[NH+](C)C ZINC001163772473 965577924 /nfs/dbraw/zinc/57/79/24/965577924.db2.gz MXAHZZZRPDUMLN-QMMMGPOBSA-N 2 0 208.309 1.334 20 0 BDADRP C[C@H](C[NH+](C)C)Nc1cccc2c1C[NH2+]CC2 ZINC001163782398 965586900 /nfs/dbraw/zinc/58/69/00/965586900.db2.gz GZBYBVWBXSWARO-LLVKDONJSA-N 2 0 233.359 1.694 20 0 BDADRP [NH3+]C[C@H]1C[N@H+](CC2CCC2)CCC1(F)F ZINC000403248230 965604412 /nfs/dbraw/zinc/60/44/12/965604412.db2.gz RRUGAAGZCATUAI-JTQLQIEISA-N 2 0 218.291 1.702 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@H]([NH3+])CC2)CC1 ZINC001205093698 965718995 /nfs/dbraw/zinc/71/89/95/965718995.db2.gz FBTCYTGNAJYQEL-AWEZNQCLSA-N 3 0 239.407 1.532 20 0 BDADRP C[C@@H](C[N@@H+]1CCC[C@@H]([NH3+])CC1)C(F)(F)F ZINC001205094137 965722771 /nfs/dbraw/zinc/72/27/71/965722771.db2.gz IVSKNFCOHLFKOO-DTWKUNHWSA-N 2 0 224.270 1.998 20 0 BDADRP [NH3+][C@H]1CCC[N@H+](CCCc2cccnc2)CC1 ZINC001205095505 965752437 /nfs/dbraw/zinc/75/24/37/965752437.db2.gz YIQFBVQIRADSJH-AWEZNQCLSA-N 2 0 233.359 1.827 20 0 BDADRP C[C@@]1(C[NH3+])CCCN(c2ccnc(N)n2)CC1 ZINC001164247377 965809054 /nfs/dbraw/zinc/80/90/54/965809054.db2.gz IBAOBBJAEVPJJE-GFCCVEGCSA-N 2 0 235.335 1.014 20 0 BDADRP CC[C@H]1COCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699209216 965813653 /nfs/dbraw/zinc/81/36/53/965813653.db2.gz IAKJHGIWASCBDR-GSPSYOTPSA-N 2 0 238.375 1.628 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2CCC[C@@H]2CN)CC1 ZINC000715196649 965820999 /nfs/dbraw/zinc/82/09/99/965820999.db2.gz XNOZXMAWIGWOFB-WXRRBKDZSA-N 2 0 225.380 1.282 20 0 BDADRP Cc1c[nH]c(=O)c(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205117907 965874002 /nfs/dbraw/zinc/87/40/02/965874002.db2.gz YPTTVHQVUFYVBP-GFCCVEGCSA-N 2 0 235.331 1.409 20 0 BDADRP [NH3+]CCONc1ccc([C@H]2CCC[NH2+]2)cc1 ZINC001164428821 965880616 /nfs/dbraw/zinc/88/06/16/965880616.db2.gz IZXCSYAABSFYNA-GFCCVEGCSA-N 2 0 221.304 1.413 20 0 BDADRP [NH3+][C@@H]1CCCN(Cc2cccc3c[nH+]cn32)CC1 ZINC001205124010 965886481 /nfs/dbraw/zinc/88/64/81/965886481.db2.gz IMPCGQUXNRRXJH-GFCCVEGCSA-N 2 0 244.342 1.648 20 0 BDADRP CC[C@@H]1COC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000699500004 965923169 /nfs/dbraw/zinc/92/31/69/965923169.db2.gz ZOPDAKVBMZWGOL-MQYQWHSLSA-N 2 0 238.375 1.628 20 0 BDADRP Cc1cnc(N2CCC[C@H]2C[NH+](C)C)c(C[NH3+])c1 ZINC001165075596 965958440 /nfs/dbraw/zinc/95/84/40/965958440.db2.gz AHMVZXFZQDRVAS-ZDUSSCGKSA-N 2 0 248.374 1.379 20 0 BDADRP CN(C)c1cccc(N2C[C@H]3C[NH+](C)C[C@@H]3C2)[nH+]1 ZINC001165145836 965972809 /nfs/dbraw/zinc/97/28/09/965972809.db2.gz YBWARSCGLDTZII-VXGBXAGGSA-N 2 0 246.358 1.145 20 0 BDADRP CC1(CN2CC[C@@H]3[NH2+]CC[C@H]32)CCOCC1 ZINC001235039607 965989794 /nfs/dbraw/zinc/98/97/94/965989794.db2.gz VWOJQCFMFFRIRV-NWDGAFQWSA-N 2 0 224.348 1.239 20 0 BDADRP C[C@@H]1C[C@@H](CN2CC[C@@H]3[NH2+]CC[C@H]32)C[C@H](C)O1 ZINC001235039706 965993279 /nfs/dbraw/zinc/99/32/79/965993279.db2.gz XMPUGZMZCVSXPY-ZUWCUPBKSA-N 2 0 238.375 1.626 20 0 BDADRP C(CN1CCCCC12C[NH2+]C2)[C@H]1CCC[NH2+]C1 ZINC001235104115 966007712 /nfs/dbraw/zinc/00/77/12/966007712.db2.gz SIWWAOQBALAYBO-CYBMUJFWSA-N 2 0 237.391 1.204 20 0 BDADRP Cc1cccc(CN(CC[NH3+])CC[NH3+])c1Cl ZINC001235879560 966126927 /nfs/dbraw/zinc/12/69/27/966126927.db2.gz CVRKRMADIRZEJJ-UHFFFAOYSA-N 2 0 241.766 1.368 20 0 BDADRP C[C@@H](C[NH+](C)C)OCC[NH+]1CCCCC1 ZINC001206709513 966157405 /nfs/dbraw/zinc/15/74/05/966157405.db2.gz NCFLEBNPDHHKFS-LBPRGKRZSA-N 2 0 214.353 1.439 20 0 BDADRP C[C@@H]1CC(C[NH+]2CC(C)(C[NH3+])C2)C[C@@H](C)O1 ZINC001206711287 966197116 /nfs/dbraw/zinc/19/71/16/966197116.db2.gz HWAKMKUTKCIZNS-GHMZBOCLSA-N 2 0 226.364 1.471 20 0 BDADRP [NH3+][C@@]12CC[C@H]1CN(CCC[NH+]1CCCCC1)C2 ZINC001235979513 966197379 /nfs/dbraw/zinc/19/73/79/966197379.db2.gz MMBHVPABXHLESB-UONOGXRCSA-N 2 0 237.391 1.286 20 0 BDADRP CN(C[C@@H]1CCC[NH2+]1)CC1(C)CC[NH+](C)CC1 ZINC001236116939 966273162 /nfs/dbraw/zinc/27/31/62/966273162.db2.gz LDOXJLGKVSGUNB-ZDUSSCGKSA-N 2 0 239.407 1.402 20 0 BDADRP CN(CCC1CC[NH2+]CC1)[C@]1(C)CCC[NH2+]C1 ZINC001236201939 966308610 /nfs/dbraw/zinc/30/86/10/966308610.db2.gz OTSXGAQNUXOSCZ-CQSZACIVSA-N 2 0 239.407 1.450 20 0 BDADRP CCOc1cc[nH+]c(N2CCC([NH3+])CC2)c1 ZINC001166661927 966350616 /nfs/dbraw/zinc/35/06/16/966350616.db2.gz AOMOYGMUTRRWOR-UHFFFAOYSA-N 2 0 221.304 1.408 20 0 BDADRP Cn1ccc2c1cc[nH+]c2N1C[C@@H]([NH3+])[C@@H](F)C1 ZINC001166928530 966436275 /nfs/dbraw/zinc/43/62/75/966436275.db2.gz BTVACRZGEBIQEY-VHSXEESVSA-N 2 0 234.278 1.059 20 0 BDADRP [NH3+][C@@H]1CN(c2cc3[nH]ccc3c[nH+]2)C[C@@H]1F ZINC001166927638 966436552 /nfs/dbraw/zinc/43/65/52/966436552.db2.gz HCBVQVYXJAXMKT-DTWKUNHWSA-N 2 0 220.251 1.048 20 0 BDADRP Cc1[nH+]c(N(C)C[C@@H]2CC[NH2+]C2)cc2[nH]ccc21 ZINC001166957529 966487572 /nfs/dbraw/zinc/48/75/72/966487572.db2.gz FGJAQLGEKMUDLD-LLVKDONJSA-N 2 0 244.342 1.917 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+](Cc1ccco1)CC2 ZINC001203283570 966594898 /nfs/dbraw/zinc/59/48/98/966594898.db2.gz JZKNJLASZPBTGI-UHFFFAOYSA-N 2 0 220.316 1.807 20 0 BDADRP C[C@H]([NH3+])CN(C)CC1(C[NH+](C)C)CCCC1 ZINC001236885218 966608325 /nfs/dbraw/zinc/60/83/25/966608325.db2.gz AURPGEPUCKRNOK-LBPRGKRZSA-N 2 0 227.396 1.387 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237384730 966654254 /nfs/dbraw/zinc/65/42/54/966654254.db2.gz XSBIGMBTGCZHEW-ZIAGYGMSSA-N 3 0 239.407 1.579 20 0 BDADRP C[N@H+]1CC[C@H]2C[NH+](CC3(C)COC3)C[C@H]2CC1 ZINC001276415800 966737917 /nfs/dbraw/zinc/73/79/17/966737917.db2.gz SDNGXBFOALJHCD-BETUJISGSA-N 2 0 238.375 1.297 20 0 BDADRP C[N@@H+]1CCC2(C1)CC[NH+](CC1(C)COC1)CC2 ZINC001276415851 966738976 /nfs/dbraw/zinc/73/89/76/966738976.db2.gz TXBOAAXCHYHZBF-UHFFFAOYSA-N 2 0 238.375 1.441 20 0 BDADRP c1cc(C2=CCC[NH2+]CC2)ncc1OC1C[NH2+]C1 ZINC001238945262 966798878 /nfs/dbraw/zinc/79/88/78/966798878.db2.gz JSSWCCCUJLLXKC-UHFFFAOYSA-N 2 0 245.326 1.199 20 0 BDADRP C[NH+](C)C1CCC([NH2+]CC(F)F)CC1 ZINC000715498825 966919603 /nfs/dbraw/zinc/91/96/03/966919603.db2.gz BFYOZYGQHGTFQI-UHFFFAOYSA-N 2 0 206.280 1.714 20 0 BDADRP c1c(CN2CCC[NH2+]CC2)[nH]c2cc[nH+]cc12 ZINC001204675130 967133557 /nfs/dbraw/zinc/13/35/57/967133557.db2.gz HWKUWPRCTMRHAT-UHFFFAOYSA-N 2 0 230.315 1.358 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@@H](N[C@H]2CCC[NH2+]C2)C1 ZINC000715575080 967189572 /nfs/dbraw/zinc/18/95/72/967189572.db2.gz WLZIGENYWKVMKZ-FRRDWIJNSA-N 2 0 225.380 1.201 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2cnc3[nH]ccc3c2)CC1 ZINC001205033384 967221423 /nfs/dbraw/zinc/22/14/23/967221423.db2.gz DJTWJDBREYMDDR-UHFFFAOYSA-N 2 0 244.342 1.734 20 0 BDADRP C[C@]1([NH3+])CCCN(C[C@H]([NH3+])Cc2ccccc2)C1 ZINC001204939468 967246169 /nfs/dbraw/zinc/24/61/69/967246169.db2.gz RRKRAPJOFVDYNH-CABCVRRESA-N 2 0 247.386 1.370 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2cc(O)ccc2F)CC1 ZINC001205040557 967261441 /nfs/dbraw/zinc/26/14/41/967261441.db2.gz GEODBXDDEMJNNE-UHFFFAOYSA-N 2 0 238.306 1.702 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2cc3cc[nH]c3cn2)CC1 ZINC001205046351 967301854 /nfs/dbraw/zinc/30/18/54/967301854.db2.gz FKBZEAYYSMULSS-UHFFFAOYSA-N 2 0 244.342 1.734 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2cccn3ccnc23)CC1 ZINC001205046319 967302058 /nfs/dbraw/zinc/30/20/58/967302058.db2.gz CXAIIGGIEUSPMB-UHFFFAOYSA-N 2 0 244.342 1.505 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2cc3ccncc3[nH]2)CC1 ZINC001205047473 967305801 /nfs/dbraw/zinc/30/58/01/967305801.db2.gz VQHSBNGIJMHJIX-UHFFFAOYSA-N 2 0 244.342 1.734 20 0 BDADRP Cc1c[nH]c(=O)c(C[NH+]2CCC(C[NH3+])CC2)c1 ZINC001205053034 967306387 /nfs/dbraw/zinc/30/63/87/967306387.db2.gz HKEODUSWHHVPAD-UHFFFAOYSA-N 2 0 235.331 1.266 20 0 BDADRP Nc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1F ZINC001205053884 967308560 /nfs/dbraw/zinc/30/85/60/967308560.db2.gz SGARVOOVUSPWAG-UHFFFAOYSA-N 2 0 237.322 1.579 20 0 BDADRP C[NH+](C)CC(C)(C)CN1CCC[C@@H]([NH3+])CC1 ZINC001205088759 967339719 /nfs/dbraw/zinc/33/97/19/967339719.db2.gz SMIYGNNVVDZALS-GFCCVEGCSA-N 3 0 227.396 1.387 20 0 BDADRP [NH3+][C@H](CN1CCC[C@@H]([NH3+])CC1)c1ccccc1 ZINC001205094839 967342847 /nfs/dbraw/zinc/34/28/47/967342847.db2.gz QZWPYMQYWFMWJH-ZIAGYGMSSA-N 2 0 233.359 1.500 20 0 BDADRP [NH3+][C@H]1CCC[N@H+](Cc2ccc3n[nH]cc3c2)CC1 ZINC001205110136 967356283 /nfs/dbraw/zinc/35/62/83/967356283.db2.gz PJJZRABBMRUCJY-ZDUSSCGKSA-N 2 0 244.342 1.876 20 0 BDADRP Cc1nc(N)ccc1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205117960 967369414 /nfs/dbraw/zinc/36/94/14/967369414.db2.gz ZPUXWHMZWNJCQX-LBPRGKRZSA-N 2 0 234.347 1.285 20 0 BDADRP Cc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)[nH]1 ZINC001205136141 967382302 /nfs/dbraw/zinc/38/23/02/967382302.db2.gz QPXYIZWRHWLGHM-GXSJLCMTSA-N 2 0 207.321 1.350 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccc3cc[nH]c3n2)C[C@H]1C[NH3+] ZINC001205145700 967390726 /nfs/dbraw/zinc/39/07/26/967390726.db2.gz BFIIMTRIQSVMEN-CMPLNLGQSA-N 2 0 244.342 1.590 20 0 BDADRP C[C@H]1C[N@H+](Cc2cccc3c2CCN3)C[C@H]1C[NH3+] ZINC001205150701 967393146 /nfs/dbraw/zinc/39/31/46/967393146.db2.gz HYKMDYRXDZHXSK-WCQYABFASA-N 2 0 245.370 1.681 20 0 BDADRP CCOc1cncc(CN2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205150424 967393857 /nfs/dbraw/zinc/39/38/57/967393857.db2.gz BPCGROCYGNLVBT-WCQYABFASA-N 2 0 249.358 1.507 20 0 BDADRP C[C@@H]1C[C@H](O)C[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000691359012 967401652 /nfs/dbraw/zinc/40/16/52/967401652.db2.gz JSCABNPBTGKVFH-YPMHNXCESA-N 2 0 226.364 1.031 20 0 BDADRP C[C@@H]1C[C@H](CO)C[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000691359760 967401754 /nfs/dbraw/zinc/40/17/54/967401754.db2.gz NMPXFWMZAYUTAM-OCCSQVGLSA-N 2 0 240.391 1.279 20 0 BDADRP CC[NH+]1CCC(CN2CC[C@@H]([NH3+])[C@H]2C)CC1 ZINC001205170673 967404760 /nfs/dbraw/zinc/40/47/60/967404760.db2.gz AYISADXUSOJDCA-DGCLKSJQSA-N 2 0 225.380 1.140 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCN1Cc1ccn2ccnc2c1 ZINC001205190380 967419772 /nfs/dbraw/zinc/41/97/72/967419772.db2.gz NVQBPIQYFNPUTJ-ZYHUDNBSSA-N 2 0 230.315 1.256 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCN1Cc1cccc2c[nH+]cn21 ZINC001205202899 967426096 /nfs/dbraw/zinc/42/60/96/967426096.db2.gz WRMLFWNJBHIOPL-ZWNOBZJWSA-N 2 0 230.315 1.256 20 0 BDADRP CCOC(=O)CC[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205256532 967448444 /nfs/dbraw/zinc/44/84/44/967448444.db2.gz PEBOZOJSYQRWED-GFCCVEGCSA-N 2 0 228.336 1.143 20 0 BDADRP C[C@@]1([NH3+])CCC[N@H+](Cc2ccncc2N)CC1 ZINC001205274050 967467388 /nfs/dbraw/zinc/46/73/88/967467388.db2.gz SOJNWIFJTNHXMH-CYBMUJFWSA-N 2 0 234.347 1.367 20 0 BDADRP Cc1nc(C)c(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)o1 ZINC001205288370 967482320 /nfs/dbraw/zinc/48/23/20/967482320.db2.gz JUUDPWRIGBDFPX-CYBMUJFWSA-N 2 0 237.347 1.995 20 0 BDADRP Cc1cc(C)c(C[NH+]2CCC(C[NH3+])CC2)cn1 ZINC001205046289 967594634 /nfs/dbraw/zinc/59/46/34/967594634.db2.gz BHYDYNUMBXAYFP-UHFFFAOYSA-N 2 0 233.359 1.869 20 0 BDADRP C[C@H]1CC[N@H+](CCCC[NH3+])CC[C@@]1(C)O ZINC001205539373 967677153 /nfs/dbraw/zinc/67/71/53/967677153.db2.gz XSSBCAWHLGCZKQ-NWDGAFQWSA-N 2 0 214.353 1.208 20 0 BDADRP Cc1n[nH]cc1C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205545335 967688050 /nfs/dbraw/zinc/68/80/50/967688050.db2.gz DLGGWZMXDDQCLG-GFCCVEGCSA-N 2 0 240.326 1.371 20 0 BDADRP Cn1cc(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)cn1 ZINC001205545385 967691297 /nfs/dbraw/zinc/69/12/97/967691297.db2.gz FZGLDSVSCHRRRL-GFCCVEGCSA-N 2 0 240.326 1.073 20 0 BDADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2ccncn2)CC1 ZINC001205558999 967696818 /nfs/dbraw/zinc/69/68/18/967696818.db2.gz MUZHXNRAMXHSMZ-GFCCVEGCSA-N 2 0 238.310 1.130 20 0 BDADRP C[C@H]1CC[N@H+](CC23CC([NH3+])(C2)C3)CC[C@H]1C[NH3+] ZINC001205602530 967718676 /nfs/dbraw/zinc/71/86/76/967718676.db2.gz JFVNDYNCVQWBQR-FEPKRQSRSA-N 3 0 237.391 1.175 20 0 BDADRP C[C@@H]1CC[N@H+](CC23CC([NH3+])(C2)C3)CC[C@H]1C[NH3+] ZINC001205602532 967719657 /nfs/dbraw/zinc/71/96/57/967719657.db2.gz JFVNDYNCVQWBQR-KBHBFKLGSA-N 3 0 237.391 1.175 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2CCCO2)CC[C@@H]1C[NH3+] ZINC001205601929 967720592 /nfs/dbraw/zinc/72/05/92/967720592.db2.gz GSUWZYXKGUURFP-UPJWGTAASA-N 2 0 226.364 1.472 20 0 BDADRP Cc1nccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)n1 ZINC001205618402 967725013 /nfs/dbraw/zinc/72/50/13/967725013.db2.gz VTDZUAHQULKGDM-AAEUAGOBSA-N 2 0 248.374 1.592 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2cnccn2)CC[C@@H]1C[NH3+] ZINC001205617889 967728493 /nfs/dbraw/zinc/72/84/93/967728493.db2.gz OUAYIWULYZEWBR-VXGBXAGGSA-N 2 0 234.347 1.283 20 0 BDADRP C[C@H]1CC[N@H+](Cc2ccns2)CC[C@H]1C[NH3+] ZINC001205637900 967734539 /nfs/dbraw/zinc/73/45/39/967734539.db2.gz JUFNEAMZLPJNKB-QWRGUYRKSA-N 2 0 239.388 1.950 20 0 BDADRP C[C@H]1CC[N@H+](Cc2cc[nH]c2)CC[C@@H]1C[NH3+] ZINC001205627223 967737470 /nfs/dbraw/zinc/73/74/70/967737470.db2.gz NYSDRROPXXMONT-WCQYABFASA-N 2 0 221.348 1.822 20 0 BDADRP C[C@H]([NH3+])CN(C)CCC[NH+]1CCCCC1 ZINC000695655769 967774409 /nfs/dbraw/zinc/77/44/09/967774409.db2.gz HCZSBFJHCSYANA-LBPRGKRZSA-N 2 0 213.369 1.141 20 0 BDADRP C[NH+](C)Cc1cccc(N[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC001162396487 967827621 /nfs/dbraw/zinc/82/76/21/967827621.db2.gz JYBYCHUTMUXVPO-NWDGAFQWSA-N 2 0 248.374 1.825 20 0 BDADRP C[C@@H]1CC[C@@H](CN)[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC001205803899 967829023 /nfs/dbraw/zinc/82/90/23/967829023.db2.gz KISLLIJVTGSCSQ-MCIONIFRSA-N 2 0 239.407 1.435 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH3+])N(CC(C)(C)C[NH+](C)C)C1 ZINC001205805681 967829121 /nfs/dbraw/zinc/82/91/21/967829121.db2.gz RJHDDPLTFCCMOD-OLZOCXBDSA-N 2 0 241.423 1.633 20 0 BDADRP [NH3+][C@@H]1CC[N@H+](CCCCc2ccccc2)C[C@H]1O ZINC001205946174 967895898 /nfs/dbraw/zinc/89/58/98/967895898.db2.gz JPUHHZSKDOKZBJ-HUUCEWRRSA-N 2 0 248.370 1.403 20 0 BDADRP CCC1(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)COC1 ZINC001205981490 967920689 /nfs/dbraw/zinc/92/06/89/967920689.db2.gz DSMCPRSJNVYKEY-STQMWFEESA-N 2 0 240.391 1.720 20 0 BDADRP COc1cc[nH+]c(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)c1 ZINC001162790690 967920393 /nfs/dbraw/zinc/92/03/93/967920393.db2.gz VRPXIIVLWDMMFN-ZMLRMANQSA-N 2 0 231.299 1.276 20 0 BDADRP C[C@@H]1C[N@H+](CC2CCOCC2)CCC[C@H]1C[NH3+] ZINC001205981135 967923374 /nfs/dbraw/zinc/92/33/74/967923374.db2.gz BUYCPSSMAKVLLK-OCCSQVGLSA-N 2 0 240.391 1.720 20 0 BDADRP COCCCC[N@@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205985669 967940254 /nfs/dbraw/zinc/94/02/54/967940254.db2.gz ZMBJLNLPKWEANY-CHWSQXEVSA-N 2 0 228.380 1.720 20 0 BDADRP C[C@@H]1C[N@H+](Cc2nccn2C)CCC[C@@H]1C[NH3+] ZINC001205996738 967949151 /nfs/dbraw/zinc/94/91/51/967949151.db2.gz XZVSMFPHAPTWGE-VXGBXAGGSA-N 2 0 236.363 1.227 20 0 BDADRP C[C@H]1C[N@H+](Cc2nccs2)CCC[C@@H]1C[NH3+] ZINC001205992928 967951146 /nfs/dbraw/zinc/95/11/46/967951146.db2.gz GFIAOJLOJIKNQU-WDEREUQCSA-N 2 0 239.388 1.950 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccon2)CCC[C@H]1C[NH3+] ZINC001205996561 967952232 /nfs/dbraw/zinc/95/22/32/967952232.db2.gz XGPOYRVXVRELQI-QWRGUYRKSA-N 2 0 223.320 1.481 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccncn2)CCC[C@H]1C[NH3+] ZINC001206003900 967957812 /nfs/dbraw/zinc/95/78/12/967957812.db2.gz NKHFSXQWGAPMEU-RYUDHWBXSA-N 2 0 234.347 1.283 20 0 BDADRP Cc1nccnc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206003697 967961535 /nfs/dbraw/zinc/96/15/35/967961535.db2.gz LJITUMPZFVQSEM-YPMHNXCESA-N 2 0 248.374 1.592 20 0 BDADRP C[NH+]1CCC(C[NH2+]CC2CSC2)CC1 ZINC000697969330 968050318 /nfs/dbraw/zinc/05/03/18/968050318.db2.gz WUSABSXFFHGFIZ-UHFFFAOYSA-N 2 0 214.378 1.281 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CC[C@@H](N)[C@@H](F)CC2)CC1 ZINC001206154228 968094133 /nfs/dbraw/zinc/09/41/33/968094133.db2.gz HQEIAXNFOBGNKS-QWHCGFSZSA-N 2 0 243.370 1.089 20 0 BDADRP CCC[NH2+]CCNC(=O)[C@@H]([NH3+])C1CCCCC1 ZINC001118265994 968101520 /nfs/dbraw/zinc/10/15/20/968101520.db2.gz JAYPOVIAWKUNCQ-LBPRGKRZSA-N 2 0 241.379 1.010 20 0 BDADRP [NH3+][C@H]1CC[N@H+](Cc2ccncc2[O-])CC[C@H]1F ZINC001206175663 968108657 /nfs/dbraw/zinc/10/86/57/968108657.db2.gz WYUROWSQWVWQHG-MNOVXSKESA-N 2 0 239.294 1.048 20 0 BDADRP C[C@H]1C[NH2+]CCN(CC[C@@H]2CCCC[NH2+]2)C1 ZINC001206269859 968186814 /nfs/dbraw/zinc/18/68/14/968186814.db2.gz WUVDSGFOOCSZHT-STQMWFEESA-N 2 0 225.380 1.060 20 0 BDADRP C[C@@H]1C[NH2+]CCN(C[C@@H]([NH3+])c2ccccc2)C1 ZINC001206269119 968188508 /nfs/dbraw/zinc/18/85/08/968188508.db2.gz BUFXVFMBWOHLQJ-TZMCWYRMSA-N 2 0 233.359 1.228 20 0 BDADRP C[C@H]1C[NH2+]CCN(Cc2cccc3c2CCN3)C1 ZINC001206276040 968190347 /nfs/dbraw/zinc/19/03/47/968190347.db2.gz AUMYWBMCENNBFN-LBPRGKRZSA-N 2 0 245.370 1.696 20 0 BDADRP COC(=O)CCC[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206296997 968206838 /nfs/dbraw/zinc/20/68/38/968206838.db2.gz WBTDSQNSUUYTML-CYBMUJFWSA-N 2 0 242.363 1.391 20 0 BDADRP Cc1cnc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)cn1 ZINC001206305401 968214893 /nfs/dbraw/zinc/21/48/93/968214893.db2.gz YJRJSPWLIDBJEZ-AWEZNQCLSA-N 2 0 248.374 1.736 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cnccc2N)CC1 ZINC001206305424 968216171 /nfs/dbraw/zinc/21/61/71/968216171.db2.gz ZAAIXCPPGQXSSD-CQSZACIVSA-N 2 0 248.374 1.445 20 0 BDADRP NC[C@]1(F)CCCC[N@H+](CC2CC2)C1 ZINC001206334977 968236747 /nfs/dbraw/zinc/23/67/47/968236747.db2.gz BQJYRLRPNFBNLG-LLVKDONJSA-N 2 0 200.301 1.549 20 0 BDADRP CN(C)c1cc[nH+]c(N2C[C@H]3C[NH+](C)C[C@@H]3C2)c1 ZINC001165147034 968268212 /nfs/dbraw/zinc/26/82/12/968268212.db2.gz HKCMASZMAFHDGS-VXGBXAGGSA-N 2 0 246.358 1.145 20 0 BDADRP CC[C@H](C(=O)NCc1ccccc1C[NH3+])[NH+](C)C ZINC001119236195 968292356 /nfs/dbraw/zinc/29/23/56/968292356.db2.gz XWHNXOJIWJNHLR-CYBMUJFWSA-N 2 0 249.358 1.102 20 0 BDADRP Cc1cccc(C)c1C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206518634 968351267 /nfs/dbraw/zinc/35/12/67/968351267.db2.gz BCTGGTKSDFVBFP-JSGCOSHPSA-N 2 0 234.343 1.055 20 0 BDADRP Cc1cc(C)c(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1C ZINC001206525367 968356101 /nfs/dbraw/zinc/35/61/01/968356101.db2.gz ODTONBIMZQDGBI-GJZGRUSLSA-N 2 0 248.370 1.363 20 0 BDADRP COC(=O)CCC[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206542115 968366878 /nfs/dbraw/zinc/36/68/78/968366878.db2.gz RQXIZSXPBMHLER-CYBMUJFWSA-N 2 0 242.363 1.391 20 0 BDADRP Cc1cc2[nH]ccc2c(N(C)C2C[NH2+]C2)[nH+]1 ZINC001166978232 968413427 /nfs/dbraw/zinc/41/34/27/968413427.db2.gz KHIILPTWNPKXON-UHFFFAOYSA-N 2 0 216.288 1.279 20 0 BDADRP C[C@H](O)C[NH2+]CCCC1CC[NH+](C)CC1 ZINC001251973976 968414814 /nfs/dbraw/zinc/41/48/14/968414814.db2.gz PZZJLHCYVZAURO-NSHDSACASA-N 2 0 214.353 1.079 20 0 BDADRP [NH3+]C[C@H]1CCCC[N@H+](Cc2ccc[nH]c2=O)C1 ZINC001206616848 968419296 /nfs/dbraw/zinc/41/92/96/968419296.db2.gz RKBKPTYFEZRXIF-LLVKDONJSA-N 2 0 235.331 1.348 20 0 BDADRP CC[NH+](CC)[C@H]1CC[C@@H]([NH2+]C[C@H](C)O)CC1 ZINC001251978312 968420918 /nfs/dbraw/zinc/42/09/18/968420918.db2.gz RCSQHROKTNGZBA-RWMBFGLXSA-N 2 0 228.380 1.610 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCCC(F)(F)[C@H](F)C1 ZINC001206744193 968451710 /nfs/dbraw/zinc/45/17/10/968451710.db2.gz GXWFXLVAGIZJIR-SECBINFHSA-N 2 0 224.270 1.795 20 0 BDADRP CC(C)C[NH+]1CCC(C[NH2+]CC(C)(C)O)CC1 ZINC001252370716 968651833 /nfs/dbraw/zinc/65/18/33/968651833.db2.gz YCXPDWRWDNWWFE-UHFFFAOYSA-N 2 0 242.407 1.715 20 0 BDADRP C[NH+](C)CC(C)(C)C[NH+]1CCC(C)(O)CC1 ZINC001207275937 968711271 /nfs/dbraw/zinc/71/12/71/968711271.db2.gz RFEXQIPWOZINAS-UHFFFAOYSA-N 2 0 228.380 1.421 20 0 BDADRP CCOC(=O)CC[N@H+](C)CC(C)(C)C[NH+](C)C ZINC001207285377 968718981 /nfs/dbraw/zinc/71/89/81/968718981.db2.gz ITISSFKAJIOJHO-UHFFFAOYSA-N 2 0 244.379 1.459 20 0 BDADRP C[C@@H]1CO[C@@H]2C[N@H+](CC3CC[NH+](C)CC3)C[C@H]12 ZINC001207399071 968749761 /nfs/dbraw/zinc/74/97/61/968749761.db2.gz YLQXLTOFPGJAMG-MRVWCRGKSA-N 2 0 238.375 1.295 20 0 BDADRP CN(C)C[C@@H]1CCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC001207398358 968751730 /nfs/dbraw/zinc/75/17/30/968751730.db2.gz JWCHOHUMQKGQRQ-AWEZNQCLSA-N 2 0 239.407 1.354 20 0 BDADRP CC[N@H+](CC1CC[NH+](C)CC1)C1COC1 ZINC001207399060 968752537 /nfs/dbraw/zinc/75/25/37/968752537.db2.gz XKQRMJMHEMERFI-UHFFFAOYSA-N 2 0 212.337 1.049 20 0 BDADRP COC[C@H]1CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC001207394774 968752957 /nfs/dbraw/zinc/75/29/57/968752957.db2.gz LZKDUPDOXLSKKM-ZDUSSCGKSA-N 2 0 226.364 1.297 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001207436257 968768138 /nfs/dbraw/zinc/76/81/38/968768138.db2.gz YVQNDGNPYYFQPB-UONOGXRCSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@H]1C[C@H]2C[N@H+](CC3CC[NH2+]CC3)CC[C@H]2O1 ZINC001207435790 968768304 /nfs/dbraw/zinc/76/83/04/968768304.db2.gz MUGRLIVELYFHGD-FPMFFAJLSA-N 2 0 238.375 1.485 20 0 BDADRP FC(F)[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC001207437659 968770386 /nfs/dbraw/zinc/77/03/86/968770386.db2.gz NUHQZSDRMTWMKJ-NSHDSACASA-N 2 0 232.318 1.963 20 0 BDADRP c1cncc(OC2C[NH+](CC3CC[NH2+]CC3)C2)c1 ZINC001207437550 968770425 /nfs/dbraw/zinc/77/04/25/968770425.db2.gz JWUVNSMDFXUMDY-UHFFFAOYSA-N 2 0 247.342 1.144 20 0 BDADRP C[N@@H+]1C[C@H]2CCCN(CC3CC[NH2+]CC3)[C@@H]2C1 ZINC001207439102 968773541 /nfs/dbraw/zinc/77/35/41/968773541.db2.gz MPOTZLMRDGXPLB-ZIAGYGMSSA-N 2 0 237.391 1.012 20 0 BDADRP CC1(C)C[N@H+](CC2CC[NH2+]CC2)CCC1=O ZINC001207439080 968774531 /nfs/dbraw/zinc/77/45/31/968774531.db2.gz LIBAOSBBAGARHS-UHFFFAOYSA-N 2 0 224.348 1.287 20 0 BDADRP C[NH+]1CCC(CC[N@@H+]2CCC[C@@H](O)CC2)CC1 ZINC001207479372 968793243 /nfs/dbraw/zinc/79/32/43/968793243.db2.gz GXRFVMRYYWJKCT-CQSZACIVSA-N 2 0 240.391 1.565 20 0 BDADRP C[C@@H]1C[NH+](CCC2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC001207479015 968793449 /nfs/dbraw/zinc/79/34/49/968793449.db2.gz ARVUCGYAMMUJLH-CHWSQXEVSA-N 2 0 240.391 1.828 20 0 BDADRP C[NH+]1CCC(CC[N@@H+]2CC[C@](C)(O)C2)CC1 ZINC001207481758 968796711 /nfs/dbraw/zinc/79/67/11/968796711.db2.gz OEEZSZSEBFHLNC-ZDUSSCGKSA-N 2 0 226.364 1.175 20 0 BDADRP CCN1CC[NH+](CCC2CC[NH+](C)CC2)CC1 ZINC001207480097 968798610 /nfs/dbraw/zinc/79/86/10/968798610.db2.gz UFZYWKAGDBDDPK-UHFFFAOYSA-N 2 0 239.407 1.356 20 0 BDADRP CC(=O)[C@@H]1CCC[N@H+]1CCC1CC[NH+](C)CC1 ZINC001207489217 968801184 /nfs/dbraw/zinc/80/11/84/968801184.db2.gz VLOIYUJHVZMBKH-AWEZNQCLSA-N 2 0 238.375 1.772 20 0 BDADRP CC(C)OC1C[NH+](CCC2CC[NH+](C)CC2)C1 ZINC001207487521 968802556 /nfs/dbraw/zinc/80/25/56/968802556.db2.gz MAZHCNKDPYBJBV-UHFFFAOYSA-N 2 0 240.391 1.828 20 0 BDADRP CO[C@@H]1CCC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000829274887 968825797 /nfs/dbraw/zinc/82/57/97/968825797.db2.gz IFVZBKLZUZTLMK-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP C[NH+]1CCC2(C[NH+](C[C@@H]3CCCO3)C2)CC1 ZINC001207887225 968913385 /nfs/dbraw/zinc/91/33/85/968913385.db2.gz FFISUQRGJXGTKM-LBPRGKRZSA-N 2 0 224.348 1.193 20 0 BDADRP CCC[NH+]1C[C@@H]2C[NH+](C[C@@H]3CCCO3)C[C@H]2C1 ZINC001207894597 968919697 /nfs/dbraw/zinc/91/96/97/968919697.db2.gz QWVCVSOXJLVYMQ-MCIONIFRSA-N 2 0 238.375 1.439 20 0 BDADRP C[NH+]1CCC(C)(C[NH+]2CCC(CO)CC2)CC1 ZINC001208109358 969002556 /nfs/dbraw/zinc/00/25/56/969002556.db2.gz KTQREDIKEYROSM-UHFFFAOYSA-N 2 0 240.391 1.423 20 0 BDADRP CCN(CC[NH+](C)C)CC[NH+]1CCCCC1 ZINC001208127757 969026956 /nfs/dbraw/zinc/02/69/56/969026956.db2.gz MOIFZNPYESYVHI-UHFFFAOYSA-N 2 0 227.396 1.356 20 0 BDADRP CC[NH+](CC)C[C@@H](O)C[N@H+](C)C1CC(C)C1 ZINC001253181531 969102189 /nfs/dbraw/zinc/10/21/89/969102189.db2.gz WLPBDRWIQRYPOJ-BPCQOVAHSA-N 2 0 228.380 1.419 20 0 BDADRP CC[NH+](CC)C[C@H](O)C[NH2+][C@H]1CC[C@@H](F)C1 ZINC001253202547 969108588 /nfs/dbraw/zinc/10/85/88/969108588.db2.gz KAZYSMWEIXXJSP-GRYCIOLGSA-N 2 0 232.343 1.169 20 0 BDADRP CC[NH+]1CCC(C[N@H+](C)CC(OC)OC)CC1 ZINC001208597232 969151827 /nfs/dbraw/zinc/15/18/27/969151827.db2.gz FHPJVAZVNOESNP-UHFFFAOYSA-N 2 0 244.379 1.269 20 0 BDADRP CC[NH+]1CCC(C[N@H+](CCCO)C(C)C)CC1 ZINC001208599053 969151872 /nfs/dbraw/zinc/15/18/72/969151872.db2.gz DCZWRFSEZAMBOM-UHFFFAOYSA-N 2 0 242.407 1.811 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@]3(CCO3)C2)C1 ZINC001208613437 969170009 /nfs/dbraw/zinc/17/00/09/969170009.db2.gz UENYJDBIZUMZBF-KBPBESRZSA-N 2 0 238.375 1.583 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1CN(C[C@H]1CCC[NH+](C)C1)C2 ZINC001208617552 969175236 /nfs/dbraw/zinc/17/52/36/969175236.db2.gz PXDCZJJWOOLQRX-MELADBBJSA-N 2 0 237.391 1.107 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccc(=O)[nH]c2)CCC[C@@H]1C[NH3+] ZINC001205994848 969248140 /nfs/dbraw/zinc/24/81/40/969248140.db2.gz MNQSUPRMGVJSQV-WCQYABFASA-N 2 0 249.358 1.594 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccc[nH]c2=O)CCC[C@@H]1C[NH3+] ZINC001205995846 969266980 /nfs/dbraw/zinc/26/69/80/969266980.db2.gz RBCYZLOXNIHVCX-VXGBXAGGSA-N 2 0 249.358 1.594 20 0 BDADRP CO[C@H]1CCC[C@@H]([N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC000723470240 969318824 /nfs/dbraw/zinc/31/88/24/969318824.db2.gz RNBWMODQHZIIDR-WISYIIOYSA-N 2 0 212.337 1.223 20 0 BDADRP Cc1cnc(C[NH3+])n1-c1ccc2[nH]c(N)[nH+]c2c1 ZINC001169029452 969348066 /nfs/dbraw/zinc/34/80/66/969348066.db2.gz QLZNLUFJRMIDBL-UHFFFAOYSA-N 2 0 242.286 1.098 20 0 BDADRP C[NH+](C)CCCCC[NH2+]C[C@@H](O)C(C)(C)C ZINC001253740689 969358734 /nfs/dbraw/zinc/35/87/34/969358734.db2.gz HMMWSTBIPBKHCI-GFCCVEGCSA-N 2 0 230.396 1.715 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](CO)C(C)(C)C)C2 ZINC001169098420 969393975 /nfs/dbraw/zinc/39/39/75/969393975.db2.gz HVFRSQGGUOSWAT-RVMXOQNASA-N 2 0 240.391 1.608 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCCC[C@@H]1O)C2 ZINC001169080419 969402463 /nfs/dbraw/zinc/40/24/63/969402463.db2.gz NGGJODPQQHRGRN-HPCHECBXSA-N 2 0 238.375 1.505 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CC[C@H](O)C1)C2 ZINC001169082314 969403376 /nfs/dbraw/zinc/40/33/76/969403376.db2.gz YOZYXSMGICOMPV-NWBUJAPZSA-N 2 0 224.348 1.115 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C(C)C)C[C@@H]1C ZINC001253787586 969406240 /nfs/dbraw/zinc/40/62/40/969406240.db2.gz COSRKKKZPMFAHW-BFHYXJOUSA-N 2 0 242.407 1.712 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCn1cccc1)C2 ZINC001169091276 969407585 /nfs/dbraw/zinc/40/75/85/969407585.db2.gz QAUAOHWVCAMADG-ZSOGYDGISA-N 2 0 233.359 1.703 20 0 BDADRP CCCOCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169091677 969408435 /nfs/dbraw/zinc/40/84/35/969408435.db2.gz UNVFMZZTKPDVHH-XYYAHUGASA-N 2 0 226.364 1.628 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(CO)CCC1)C2 ZINC001169091142 969410691 /nfs/dbraw/zinc/41/06/91/969410691.db2.gz ODXHWJYKKNPHRD-CLLJXQQHSA-N 2 0 238.375 1.364 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1cnoc1)C2 ZINC001169116374 969411681 /nfs/dbraw/zinc/41/16/81/969411681.db2.gz QASQXWCKEJFESQ-CLLJXQQHSA-N 2 0 235.331 1.432 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1C[C@@H]1C1CC1)C2 ZINC001169123709 969421898 /nfs/dbraw/zinc/42/18/98/969421898.db2.gz MPKDTWVBKZRKPV-ITGHMWBKSA-N 2 0 220.360 2.000 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@@](C)(O)C1)C2 ZINC001169127140 969432484 /nfs/dbraw/zinc/43/24/84/969432484.db2.gz ZYTKEHUATOLYML-YVECIDJPSA-N 2 0 224.348 1.068 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC[NH+](C)CC1)C2 ZINC001169126968 969433499 /nfs/dbraw/zinc/43/34/99/969433499.db2.gz YMMGWKLXAQZHFA-WDNDVIMCSA-N 2 0 237.391 1.249 20 0 BDADRP CC[C@@H](COC)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169109455 969444809 /nfs/dbraw/zinc/44/48/09/969444809.db2.gz IRKVWCZGBHLILB-RVMXOQNASA-N 2 0 226.364 1.626 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](n1cccc1CC[NH3+])C2 ZINC001169107179 969446584 /nfs/dbraw/zinc/44/65/84/969446584.db2.gz FTVXYFGXNBCFKA-BTTYYORXSA-N 2 0 233.359 1.787 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169108170 969446874 /nfs/dbraw/zinc/44/68/74/969446874.db2.gz OZNOFEVCEPWIHF-RGDJUOJXSA-N 2 0 238.375 1.626 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[NH+]3CCC[C@H]3C1)C2 ZINC001169139638 969450171 /nfs/dbraw/zinc/45/01/71/969450171.db2.gz CNJIRVOYFBDMIX-XGUBFFRZSA-N 2 0 249.402 1.392 20 0 BDADRP CCC[C@@H](CCO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169112831 969458254 /nfs/dbraw/zinc/45/82/54/969458254.db2.gz TYQXRXSZISWNDF-FQUUOJAGSA-N 2 0 240.391 1.752 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)C2 ZINC001169114089 969458541 /nfs/dbraw/zinc/45/85/41/969458541.db2.gz WQQMHYKTLKRCPD-MLGHIDQZSA-N 2 0 238.375 1.361 20 0 BDADRP C[C@@H]1CN([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@@H+]1C ZINC001169144138 969461665 /nfs/dbraw/zinc/46/16/65/969461665.db2.gz JTCZAENEDZGHIQ-MQYQWHSLSA-N 2 0 237.391 1.248 20 0 BDADRP C[NH+](C)C1(C)CN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169145942 969463269 /nfs/dbraw/zinc/46/32/69/969463269.db2.gz NMODRKZTFUQNSL-CLLJXQQHSA-N 2 0 237.391 1.248 20 0 BDADRP CC[N@H+](CC(C)(C)O)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169147487 969468368 /nfs/dbraw/zinc/46/83/68/969468368.db2.gz UGGAVJMQVQOCBG-ITGUQSILSA-N 2 0 240.391 1.704 20 0 BDADRP Cc1cc(NC[C@@H]2CC[N@@H+]2C(C)(C)C)nc(N)[nH+]1 ZINC000690358577 969469468 /nfs/dbraw/zinc/46/94/68/969469468.db2.gz TYHQADWVURZGDI-JTQLQIEISA-N 2 0 249.362 1.652 20 0 BDADRP C/C=C(\NC=[NH2+])n1ncc2c1cccc2C[NH3+] ZINC001169194259 969477749 /nfs/dbraw/zinc/47/77/49/969477749.db2.gz AIAYSGCWAUUOTO-SWGQDTFXSA-N 2 0 229.287 1.510 20 0 BDADRP CCN1CCC([NH2+]C(C)(C)CCO)CC1 ZINC001169224285 969493009 /nfs/dbraw/zinc/49/30/09/969493009.db2.gz HLGFZVZKGISPMH-UHFFFAOYSA-N 2 0 214.353 1.221 20 0 BDADRP CC[NH+]1CCC(n2ccc(C[NH3+])cc2=N)CC1 ZINC001169224682 969494147 /nfs/dbraw/zinc/49/41/47/969494147.db2.gz KMXSOFOSHZGREH-UHFFFAOYSA-N 2 0 234.347 1.083 20 0 BDADRP CC[NH+]1CCC(Nc2cccnc2C[NH3+])CC1 ZINC001169233947 969515493 /nfs/dbraw/zinc/51/54/93/969515493.db2.gz YQRKCXSGFMQCJS-UHFFFAOYSA-N 2 0 234.347 1.437 20 0 BDADRP C[NH2+][C@@]12CC[C@@]([NH2+]CC(OC)OC)(C1)CCC2 ZINC001276644753 969522216 /nfs/dbraw/zinc/52/22/16/969522216.db2.gz WHMZUKLUGOFJGJ-QWHCGFSZSA-N 2 0 242.363 1.260 20 0 BDADRP CCC[NH+](CCC)Cc1cn(C[C@H](C)[NH3+])nn1 ZINC001254163023 969534442 /nfs/dbraw/zinc/53/44/42/969534442.db2.gz LIQKMUBCOMLEPI-NSHDSACASA-N 2 0 239.367 1.247 20 0 BDADRP [NH2+]=C(NCCCC[NH3+])NC1CCC(F)(F)CC1 ZINC001254208576 969540478 /nfs/dbraw/zinc/54/04/78/969540478.db2.gz SGAQZLAODQYLPB-UHFFFAOYSA-N 2 0 248.321 1.417 20 0 BDADRP C([NH2+][C@H]1CCCOC1)C12CC[NH+](CC1)CC2 ZINC001254366040 969579548 /nfs/dbraw/zinc/57/95/48/969579548.db2.gz MTJXLWNUFRFNFT-LBPRGKRZSA-N 2 0 224.348 1.241 20 0 BDADRP C[N@@H+]1C[C@@H]2CCCN(Cc3c[nH+]ccc3N)[C@@H]2C1 ZINC001209729939 969586572 /nfs/dbraw/zinc/58/65/72/969586572.db2.gz BQTNPOTTWQTCBF-SMDDNHRTSA-N 2 0 246.358 1.020 20 0 BDADRP CC[N@@H+]1CCN(Cc2c[nH+]ccc2N)C[C@H]1C ZINC001209732690 969596273 /nfs/dbraw/zinc/59/62/73/969596273.db2.gz BTJSAPRVEKBEKI-LLVKDONJSA-N 2 0 234.347 1.020 20 0 BDADRP C[N@H+](C1CC1)[C@H]1CCN(Cc2c[nH+]ccc2N)C1 ZINC001209732995 969596602 /nfs/dbraw/zinc/59/66/02/969596602.db2.gz OQJZZVZVJMCVCS-ZDUSSCGKSA-N 2 0 246.358 1.163 20 0 BDADRP CCN(CC)C(=O)C[C@H](C)N1CCC[C@H]([NH3+])C1 ZINC001169438294 969631849 /nfs/dbraw/zinc/63/18/49/969631849.db2.gz USLVEAOBPDHQQA-RYUDHWBXSA-N 2 0 241.379 1.057 20 0 BDADRP [NH3+]CCOCC[NH2+]C1CCc2ccccc2CC1 ZINC001254451088 969642944 /nfs/dbraw/zinc/64/29/44/969642944.db2.gz JSGDFEGLAHHMOW-UHFFFAOYSA-N 2 0 248.370 1.499 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+]CCCCCCC[NH3+])CC1 ZINC001254507057 969655259 /nfs/dbraw/zinc/65/52/59/969655259.db2.gz DYGNHIJBSUIPEL-AWEZNQCLSA-N 3 0 241.423 1.970 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+]C2CC3(COC3)C2)CC1 ZINC001254504010 969668036 /nfs/dbraw/zinc/66/80/36/969668036.db2.gz QHJBRRMADUGHRV-LLVKDONJSA-N 2 0 224.348 1.239 20 0 BDADRP CCCC[C@H](CO)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001254505062 969670965 /nfs/dbraw/zinc/67/09/65/969670965.db2.gz YRLGNSHBFQEMPL-CHWSQXEVSA-N 2 0 228.380 1.611 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccccc2C[NH3+])CC1 ZINC001254506827 969672654 /nfs/dbraw/zinc/67/26/54/969672654.db2.gz AYNHMAFNYIKLOT-OAHLLOKOSA-N 3 0 247.386 1.719 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+]C[C@H]2C[C@H](F)C2)CC1 ZINC001254504848 969675508 /nfs/dbraw/zinc/67/55/08/969675508.db2.gz XTJKKFRZIZEYMB-IJLUTSLNSA-N 2 0 214.328 1.808 20 0 BDADRP C[N@@H+]1CCC[C@H](N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001254508623 969677705 /nfs/dbraw/zinc/67/77/05/969677705.db2.gz KPLYMHLQZRLPHN-AVGNSLFASA-N 2 0 225.380 1.330 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+][C@]2(C)CCOC2)CC1 ZINC001254512196 969678209 /nfs/dbraw/zinc/67/82/09/969678209.db2.gz KGYLEINKYXRCMR-NWDGAFQWSA-N 2 0 212.337 1.239 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+]C[C@H]2CC[C@H](O)CC2)CC1 ZINC001254512199 969683995 /nfs/dbraw/zinc/68/39/95/969683995.db2.gz KHYAOSVLFFZLNM-IHRRRGAJSA-N 2 0 240.391 1.611 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH+]2CCC[C@@H](O)CC2)CC1 ZINC001254516462 969689405 /nfs/dbraw/zinc/68/94/05/969689405.db2.gz MPMTZMSEJRHHLA-QWHCGFSZSA-N 2 0 226.364 1.318 20 0 BDADRP C[C@@H]1CC[C@H](O)C[N@@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254517351 969697029 /nfs/dbraw/zinc/69/70/29/969697029.db2.gz URQINRJUQIHFIY-AGIUHOORSA-N 2 0 226.364 1.316 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH+]2C[C@@H]3CCO[C@@H]3C2)CC1 ZINC001254525469 969718003 /nfs/dbraw/zinc/71/80/03/969718003.db2.gz JIRAMXCESJVBHF-RWMBFGLXSA-N 2 0 224.348 1.191 20 0 BDADRP C[NH+](C)C1(C)CN([C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254525415 969723344 /nfs/dbraw/zinc/72/33/44/969723344.db2.gz HZABREIDOADINJ-GFCCVEGCSA-N 2 0 225.380 1.107 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH+]2C[C@@H]3C[C@H]2C[C@@H]3F)CC1 ZINC001254529621 969728252 /nfs/dbraw/zinc/72/82/52/969728252.db2.gz OTSBJTOMEHHNQU-RNJOBUHISA-N 2 0 226.339 1.903 20 0 BDADRP C[N@@H+]1CC[C@H](CN[C@@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254836496 969798257 /nfs/dbraw/zinc/79/82/57/969798257.db2.gz LZWWNUQSCAKIOB-ZIAGYGMSSA-N 2 0 237.391 1.012 20 0 BDADRP Cc1cnc(C[NH3+])n1[C@H]1CC2CC[NH+](CC2)C1 ZINC001254840711 969801752 /nfs/dbraw/zinc/80/17/52/969801752.db2.gz MJYRJOCLLYWSOJ-LBPRGKRZSA-N 2 0 234.347 1.307 20 0 BDADRP CN([C@H]1CC2CC[NH+](CC2)C1)C(C)(C)C[NH3+] ZINC001254847099 969802984 /nfs/dbraw/zinc/80/29/84/969802984.db2.gz DBMLVMLOTMTRBC-LBPRGKRZSA-N 2 0 225.380 1.140 20 0 BDADRP CC1([NH3+])CC[NH+](C2C[C@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001254926798 969824032 /nfs/dbraw/zinc/82/40/32/969824032.db2.gz GVSRMJRUWBSQBK-QWRGUYRKSA-N 2 0 236.359 1.557 20 0 BDADRP c1ccc([C@H]2CNCC[N@H+]2CCC2C[NH2+]C2)cc1 ZINC001210197128 969829142 /nfs/dbraw/zinc/82/91/42/969829142.db2.gz VYXZANXHPOZFEZ-OAHLLOKOSA-N 2 0 245.370 1.242 20 0 BDADRP C[C@@H]1CCN(Cc2cccc3c2CCN3)CC[NH2+]1 ZINC001210496540 969906286 /nfs/dbraw/zinc/90/62/86/969906286.db2.gz HYCZDEDWNKGORJ-GFCCVEGCSA-N 2 0 245.370 1.838 20 0 BDADRP C[C@H]1CCN(Cc2ccc(C[NH3+])cc2)CC[NH2+]1 ZINC001210499680 969910076 /nfs/dbraw/zinc/91/00/76/969910076.db2.gz VMVQASBCWZACRA-LBPRGKRZSA-N 2 0 233.359 1.329 20 0 BDADRP CC[NH+](CC)CCN(CC[NH3+])[C@H]1CCSC1 ZINC001255270438 970023792 /nfs/dbraw/zinc/02/37/92/970023792.db2.gz DSUALUFQFBGHSJ-LBPRGKRZSA-N 2 0 245.436 1.094 20 0 BDADRP CN(c1[nH+]ccc2c1CCN2)C(C)(C)C[NH3+] ZINC001170052626 970091071 /nfs/dbraw/zinc/09/10/71/970091071.db2.gz IYMCWSUTHJRAPY-UHFFFAOYSA-N 2 0 220.320 1.223 20 0 BDADRP C[N@@H+]1CC[C@@H](n2c(C[NH3+])cc3ccccc32)C1 ZINC001255411038 970131507 /nfs/dbraw/zinc/13/15/07/970131507.db2.gz CBUWGAIMRCDNKZ-GFCCVEGCSA-N 2 0 229.327 1.977 20 0 BDADRP CN1CC[C@@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)C1 ZINC001255412728 970132116 /nfs/dbraw/zinc/13/21/16/970132116.db2.gz UWOYQEBTQXKMEQ-QWHCGFSZSA-N 2 0 225.380 1.012 20 0 BDADRP C[NH+](C)CCC(C)(C)N[C@@H]1CC[N@H+](C)C1 ZINC001255419216 970138687 /nfs/dbraw/zinc/13/86/87/970138687.db2.gz ZWROSTLBYZLBOF-LLVKDONJSA-N 2 0 213.369 1.010 20 0 BDADRP CN1CC[C@H]([NH2+]CCCCC[NH+]2CCCC2)C1 ZINC001255417315 970139432 /nfs/dbraw/zinc/13/94/32/970139432.db2.gz KFZXSTXNOWTBJB-AWEZNQCLSA-N 2 0 239.407 1.546 20 0 BDADRP C[N@@H+]1CC[C@@H](n2cc3ccc(C[NH3+])cc3n2)C1 ZINC001255419453 970141380 /nfs/dbraw/zinc/14/13/80/970141380.db2.gz CGUBZZCDTUGBBI-GFCCVEGCSA-N 2 0 230.315 1.372 20 0 BDADRP C[N@@H+]1CC[C@H](N(CC[NH3+])c2ccc(F)cc2)C1 ZINC001255422062 970148191 /nfs/dbraw/zinc/14/81/91/970148191.db2.gz NBFPNWHQLPXNHV-ZDUSSCGKSA-N 2 0 237.322 1.295 20 0 BDADRP CN1CC[C@@H]([NH2+][C@H]2CC[C@@H]([NH+](C)C)CC2)C1 ZINC001255422068 970148209 /nfs/dbraw/zinc/14/82/09/970148209.db2.gz OZPVBGBZFHVQAI-UPJWGTAASA-N 2 0 225.380 1.153 20 0 BDADRP CC(C)[C@@H]1[NH2+]CCc2ncn([C@H]3CC[N@H+](C)C3)c21 ZINC001255444528 970181354 /nfs/dbraw/zinc/18/13/54/970181354.db2.gz MUYNXENSNLSPDS-AAEUAGOBSA-N 2 0 248.374 1.603 20 0 BDADRP C[C@@H]([NH3+])c1nccn1[C@@H]1CCC[N@H+](C)C1 ZINC001255466197 970193167 /nfs/dbraw/zinc/19/31/67/970193167.db2.gz IYDRKRMTTOCQGP-NXEZZACHSA-N 2 0 208.309 1.170 20 0 BDADRP Cc1ccc(C[NH3+])nc1N(C)[C@H]1CCC[N@H+](C)C1 ZINC001255466663 970196338 /nfs/dbraw/zinc/19/63/38/970196338.db2.gz XSZPEUWAJZBWJS-ZDUSSCGKSA-N 2 0 248.374 1.379 20 0 BDADRP CN1CCC[C@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)C1 ZINC001255469890 970196904 /nfs/dbraw/zinc/19/69/04/970196904.db2.gz GITYFWLHGHXPEM-KBPBESRZSA-N 2 0 239.407 1.402 20 0 BDADRP COc1c[nH+]ccc1Nc1c[nH+]ccc1N(C)C ZINC001211256848 970199219 /nfs/dbraw/zinc/19/92/19/970199219.db2.gz CEJHFKKSIVXBHZ-UHFFFAOYSA-N 2 0 244.298 1.717 20 0 BDADRP CN1CCC[C@H]([NH2+]CCCCCCC[NH3+])C1 ZINC001255473014 970203360 /nfs/dbraw/zinc/20/33/60/970203360.db2.gz MYAJPIAWUCHPMO-ZDUSSCGKSA-N 2 0 227.396 1.579 20 0 BDADRP C[N@@H+]1CCC[C@H](N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC001255487774 970234277 /nfs/dbraw/zinc/23/42/77/970234277.db2.gz VGWBOWCAWIGTJN-UONOGXRCSA-N 2 0 237.391 1.251 20 0 BDADRP CC(C)[N@@H+]1CCN([C@H]2CCC[NH+](C)C2)C[C@@H]1C ZINC001255493631 970250772 /nfs/dbraw/zinc/25/07/72/970250772.db2.gz DWPLXUYCEFVHDN-KBPBESRZSA-N 2 0 239.407 1.495 20 0 BDADRP C[NH+]1CC2(C1)CCN([C@H]1CCC[N@H+](C)C1)CC2 ZINC001255492921 970255626 /nfs/dbraw/zinc/25/56/26/970255626.db2.gz NXHKGQWIIBMOAK-ZDUSSCGKSA-N 2 0 237.391 1.108 20 0 BDADRP C[N@H+](C1CC1)[C@@H]1CCN([C@@H]2CCC[NH+](C)C2)C1 ZINC001255492887 970256024 /nfs/dbraw/zinc/25/60/24/970256024.db2.gz NDOWYYFYJBIYGB-ZIAGYGMSSA-N 2 0 237.391 1.249 20 0 BDADRP C[C@H]1CC[C@@H]([NH+]2CCN(CCC[NH3+])CC2)C1 ZINC001170101697 970290394 /nfs/dbraw/zinc/29/03/94/970290394.db2.gz OWERXUQTXOJKCB-QWHCGFSZSA-N 2 0 225.380 1.141 20 0 BDADRP [NH3+][C@@H]1CCc2c1cccc2C1=CC[NH2+]C1 ZINC001243110194 970350573 /nfs/dbraw/zinc/35/05/73/970350573.db2.gz BKQGXLYJXQTCQI-CYBMUJFWSA-N 2 0 200.285 1.619 20 0 BDADRP COC[C@@H](C)[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001255579135 970384005 /nfs/dbraw/zinc/38/40/05/970384005.db2.gz STKSSECYJKHIET-CYBMUJFWSA-N 2 0 249.358 1.547 20 0 BDADRP CCC1([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)COC1 ZINC001255667762 970448881 /nfs/dbraw/zinc/44/88/81/970448881.db2.gz QVNDUHKMWPJDRG-YHWZYXNKSA-N 2 0 238.375 1.770 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N[C@@H](C)C[NH+](C)C ZINC001255943418 970566944 /nfs/dbraw/zinc/56/69/44/970566944.db2.gz MIHQVUAJECTXBN-STQMWFEESA-N 2 0 229.412 1.647 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]CCCC(=O)OC ZINC001255940778 970568502 /nfs/dbraw/zinc/56/85/02/970568502.db2.gz GKAAJSOSOMAJRY-GFCCVEGCSA-N 2 0 244.379 1.650 20 0 BDADRP C[C@H]([NH2+][C@H]1CCCSC1)C1CC[NH2+]CC1 ZINC000400331065 970578738 /nfs/dbraw/zinc/57/87/38/970578738.db2.gz FYPMLXVEEKODKT-JQWIXIFHSA-N 2 0 228.405 1.860 20 0 BDADRP C[C@H]([NH2+]CCCCCCO)[C@@H]1CCC[NH2+]1 ZINC000400360361 970581696 /nfs/dbraw/zinc/58/16/96/970581696.db2.gz CXNLCCWEVQWCGS-RYUDHWBXSA-N 2 0 214.353 1.269 20 0 BDADRP CCN1CCC([NH2+][C@@H](C)C2CC[NH2+]CC2)CC1 ZINC000400472297 970591650 /nfs/dbraw/zinc/59/16/50/970591650.db2.gz YKQZVKHKWNJBMA-LBPRGKRZSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCCOC1)C1CC[NH2+]CC1 ZINC000400475811 970594081 /nfs/dbraw/zinc/59/40/81/970594081.db2.gz ZQRSTEFXMBXLKN-NWDGAFQWSA-N 2 0 226.364 1.391 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CC[C@@](C)(CO)C1 ZINC001255956510 970597520 /nfs/dbraw/zinc/59/75/20/970597520.db2.gz KUSNERYUAWSEKL-ZIAGYGMSSA-N 2 0 242.407 1.811 20 0 BDADRP CSCC[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400634345 970600903 /nfs/dbraw/zinc/60/09/03/970600903.db2.gz MKOBGKNOAKEIGD-GARJFASQSA-N 2 0 216.394 1.858 20 0 BDADRP C[C@H]([NH2+]C1CCOCC1)C1CC[NH2+]CC1 ZINC000400743640 970623336 /nfs/dbraw/zinc/62/33/36/970623336.db2.gz UCBFTNIQNRJWRF-JTQLQIEISA-N 2 0 212.337 1.143 20 0 BDADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N[C@@H](C)CC[NH+](C)C ZINC000400783448 970627284 /nfs/dbraw/zinc/62/72/84/970627284.db2.gz IFRCVLMTPKHINF-SDDRHHMPSA-N 2 0 243.395 1.206 20 0 BDADRP F[C@H]1COCC[C@@H]1[NH2+]C1CCN(C2CC2)CC1 ZINC001256068719 970635473 /nfs/dbraw/zinc/63/54/73/970635473.db2.gz GMTILYVVPTYMID-STQMWFEESA-N 2 0 242.338 1.330 20 0 BDADRP Cn1ccc2c1[nH+]ccc2NCC1C[NH+](C)C1 ZINC001170258241 970647469 /nfs/dbraw/zinc/64/74/69/970647469.db2.gz HKWWRDMHKXOFFE-UHFFFAOYSA-N 2 0 230.315 1.547 20 0 BDADRP CC(C)C[C@H](O)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400954788 970648096 /nfs/dbraw/zinc/64/80/96/970648096.db2.gz IYTPJYBLAHWZGF-DGAVXFQQSA-N 2 0 240.391 1.371 20 0 BDADRP CN([C@@H]1CC[N@H+](C)C1)C1CC[NH+](C2CC2)CC1 ZINC001256078892 970651507 /nfs/dbraw/zinc/65/15/07/970651507.db2.gz DNRWIWONQVVAOG-CQSZACIVSA-N 2 0 237.391 1.249 20 0 BDADRP C[NH+]1CCC(n2cc3cc(C[NH3+])ccc3n2)CC1 ZINC001256195244 970690200 /nfs/dbraw/zinc/69/02/00/970690200.db2.gz GJEJXGAIGCPWBQ-UHFFFAOYSA-N 2 0 244.342 1.762 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C1CC[NH+](C)CC1 ZINC001256203583 970706393 /nfs/dbraw/zinc/70/63/93/970706393.db2.gz JRCMQHPZWWXGNY-NWDGAFQWSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)CO1 ZINC000401858528 970740082 /nfs/dbraw/zinc/74/00/82/970740082.db2.gz HFXCGTZALAWLJT-UTUOFQBUSA-N 2 0 224.348 1.238 20 0 BDADRP CC(C)CC[C@H](C)NC(=[NH2+])NCCCC[NH3+] ZINC001256354977 970748758 /nfs/dbraw/zinc/74/87/58/970748758.db2.gz PWDYDNRQKWBHPL-NSHDSACASA-N 2 0 228.384 1.664 20 0 BDADRP [NH3+]CC1(F)CC[NH+](Cc2cccnc2)CC1 ZINC001222532331 972547944 /nfs/dbraw/zinc/54/79/44/972547944.db2.gz KPTTVGHHMKKBMW-UHFFFAOYSA-N 2 0 223.295 1.344 20 0 BDADRP C[C@H]1CN([C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[C@H]1C[NH3+] ZINC001246539807 972549799 /nfs/dbraw/zinc/54/97/99/972549799.db2.gz ITGLCBLLQXTJBN-MEBFFEOJSA-N 3 0 237.391 1.186 20 0 BDADRP C[C@H](Cc1ccncc1)[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246541736 972562299 /nfs/dbraw/zinc/56/22/99/972562299.db2.gz NENIYJAEVCLMOR-OUCADQQQSA-N 2 0 233.359 1.539 20 0 BDADRP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CCC[C@H]([NH3+])CC2)C1 ZINC001246543074 972592984 /nfs/dbraw/zinc/59/29/84/972592984.db2.gz SHACYYPRQUSZIO-WOPDTQHZSA-N 2 0 240.347 1.141 20 0 BDADRP CCCC(C)(C)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001144124261 972602040 /nfs/dbraw/zinc/60/20/40/972602040.db2.gz XAAZNHIOBRJKBN-UHFFFAOYSA-N 2 0 242.367 1.274 20 0 BDADRP [NH3+][C@H]1CCC[N@@H+](C2CCC3(C[NH2+]C3)CC2)CC1 ZINC001246548098 972681831 /nfs/dbraw/zinc/68/18/31/972681831.db2.gz QPGUQTIHCMLDCA-LBPRGKRZSA-N 3 0 237.391 1.332 20 0 BDADRP C[C@@H](Cc1ccncc1)N1CC[C@@H]([NH3+])[C@H]1C ZINC001246552180 972735090 /nfs/dbraw/zinc/73/50/90/972735090.db2.gz VZBCKRJNQOYSDJ-DMDPSCGWSA-N 2 0 219.332 1.434 20 0 BDADRP CN1CCC[C@@H]([N@@H+]2CCC[C@@](F)(C[NH3+])CC2)C1 ZINC001246553498 972751305 /nfs/dbraw/zinc/75/13/05/972751305.db2.gz YPFYJCYWAIVVFF-OLZOCXBDSA-N 2 0 243.370 1.234 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH3+])N([C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246553546 972751651 /nfs/dbraw/zinc/75/16/51/972751651.db2.gz BDIGKGYSBQTSRC-VOAKCMCISA-N 2 0 225.380 1.186 20 0 BDADRP C[NH2+][C@H](C)CCN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC001327839926 972755433 /nfs/dbraw/zinc/75/54/33/972755433.db2.gz ORWLWUBCOUZRLI-MCIONIFRSA-N 2 0 241.423 1.885 20 0 BDADRP C[NH2+][C@H](C)CCN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC001327839928 972756073 /nfs/dbraw/zinc/75/60/73/972756073.db2.gz ORWLWUBCOUZRLI-MGPQQGTHSA-N 2 0 241.423 1.885 20 0 BDADRP [NH3+]C[C@H]1C[N@@H+]([C@H]2CCSC2)CCC1(F)F ZINC001246559957 972785639 /nfs/dbraw/zinc/78/56/39/972785639.db2.gz OIKCSATXQAZZKT-IUCAKERBSA-N 2 0 236.331 1.408 20 0 BDADRP C[C@@H]1CN([C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)C[C@H]1[NH3+] ZINC001246569540 972822925 /nfs/dbraw/zinc/82/29/25/972822925.db2.gz VXJWDGXXFKZOFJ-YVECIDJPSA-N 2 0 239.407 1.432 20 0 BDADRP C[C@H]1C[C@@H](CF)[N@@H+]([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246580862 972933311 /nfs/dbraw/zinc/93/33/11/972933311.db2.gz NYLGPPXPBUDYKP-USZNOCQGSA-N 2 0 214.328 1.807 20 0 BDADRP [NH3+]C[C@H]1CCCC[N@@H+](C2C[C@@H]3C=C[C@H](C2)O3)C1 ZINC001246581346 972944692 /nfs/dbraw/zinc/94/46/92/972944692.db2.gz JEBXRSMYDNDRSW-RLAWYHOSSA-N 2 0 236.359 1.533 20 0 BDADRP CC1(C[NH3+])C[NH+](C2CCC3(CC[NH2+]C3)CC2)C1 ZINC001246595463 973006649 /nfs/dbraw/zinc/00/66/49/973006649.db2.gz HRWOHJHCRXTUJF-UHFFFAOYSA-N 3 0 237.391 1.189 20 0 BDADRP C[NH2+]CC[C@H](C)[N@@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001246604640 973028132 /nfs/dbraw/zinc/02/81/32/973028132.db2.gz HYAOMXZWLVQXPQ-KBPBESRZSA-N 3 0 239.407 1.593 20 0 BDADRP C1C[NH2+][C@@]2(C1)CCCN([C@H]1CCCC[NH2+]C1)C2 ZINC001246615660 973035851 /nfs/dbraw/zinc/03/58/51/973035851.db2.gz DUAHYXNNEAGSQU-KBPBESRZSA-N 2 0 237.391 1.347 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[C@@H]3[NH2+]CC[C@H]31)C2 ZINC001246636129 973050400 /nfs/dbraw/zinc/05/04/00/973050400.db2.gz TXSNCEUPALNLGU-ZUWCUPBKSA-N 2 0 235.375 1.048 20 0 BDADRP [NH3+][C@@]12C[C@@H]1CCN([C@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)C2 ZINC001246660516 973077851 /nfs/dbraw/zinc/07/78/51/973077851.db2.gz SZTMHFYWVXYQOJ-ODXJTPSBSA-N 2 0 235.375 1.083 20 0 BDADRP FC1(F)C[C@]12CC[N@@H+](C1CC[NH2+]CC1)C2 ZINC001246810500 973108296 /nfs/dbraw/zinc/10/82/96/973108296.db2.gz XAJLXPWBBSRUEC-JTQLQIEISA-N 2 0 216.275 1.470 20 0 BDADRP CCc1ccc(C[C@@H](C)N(CC[NH3+])CC[NH3+])cc1 ZINC001246835436 973130842 /nfs/dbraw/zinc/13/08/42/973130842.db2.gz XQHTUSAALQTGSM-CYBMUJFWSA-N 2 0 249.402 1.399 20 0 BDADRP C[NH2+]Cc1c(C)nn([C@H]2CC[C@H](C)[NH2+]C2)c1C ZINC001246845920 973150715 /nfs/dbraw/zinc/15/07/15/973150715.db2.gz MLIFOMGPKNIPPW-CABZTGNLSA-N 2 0 236.363 1.532 20 0 BDADRP [NH3+][C@]12CC[C@H]1C[N@@H+]([C@H]1CCc3ncsc3C1)C2 ZINC001246851271 973152161 /nfs/dbraw/zinc/15/21/61/973152161.db2.gz FBWJRAYDEHXMSH-KWBADKCTSA-N 2 0 249.383 1.424 20 0 BDADRP C[C@H]1CC[C@@H]([N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])C1 ZINC001246861913 973177191 /nfs/dbraw/zinc/17/71/91/973177191.db2.gz RJOLEMPSAYYRBA-DMRUHBNHSA-N 2 0 224.348 1.081 20 0 BDADRP CCOC1CCC([N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001246860588 973180838 /nfs/dbraw/zinc/18/08/38/973180838.db2.gz NHAGWQIEPHKEEN-GFJIZPEISA-N 2 0 238.375 1.757 20 0 BDADRP C[C@H]1CC[C@@H](n2cncc2C2CC[NH2+]CC2)C[NH2+]1 ZINC001246862815 973182024 /nfs/dbraw/zinc/18/20/24/973182024.db2.gz DSWFWFUJKMAJBI-WCQYABFASA-N 2 0 248.374 1.663 20 0 BDADRP CCCCC[NH2+]CCNC(=O)CC[N@H+](C)CC ZINC001146710292 973218117 /nfs/dbraw/zinc/21/81/17/973218117.db2.gz JXAZBKIWDLPQGY-UHFFFAOYSA-N 2 0 243.395 1.224 20 0 BDADRP C[C@H]1C[C@H](N(C)[C@@]2(C)CCC[NH2+]C2)CC[NH2+]1 ZINC001246913580 973436578 /nfs/dbraw/zinc/43/65/78/973436578.db2.gz RCCIQNUFONUSKN-XQQFMLRXSA-N 2 0 225.380 1.201 20 0 BDADRP CC(C)(C)[C@@H]1C[C@H](N2C[C@H]3C[NH2+][C@H]3C2)CC[NH2+]1 ZINC001246916576 973468709 /nfs/dbraw/zinc/46/87/09/973468709.db2.gz IJJQUWNYESLKPC-NDBYEHHHSA-N 2 0 237.391 1.057 20 0 BDADRP CC[C@@H]1C[C@@H](N2C[C@H]3C[NH2+][C@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246921585 973520669 /nfs/dbraw/zinc/52/06/69/973520669.db2.gz SUCWOAKGXWSKET-RGDJUOJXSA-N 2 0 237.391 1.199 20 0 BDADRP O[C@@H](C[NH2+][C@@H]1C=CCCC1)C[NH+]1CCCC1 ZINC001329223765 973576134 /nfs/dbraw/zinc/57/61/34/973576134.db2.gz UZIIJZPUFVDBHI-OLZOCXBDSA-N 2 0 224.348 1.141 20 0 BDADRP C1CC2(C1)CCC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246937795 973617704 /nfs/dbraw/zinc/61/77/04/973617704.db2.gz CMDAQYSTKRKCFG-ZDUSSCGKSA-N 2 0 249.402 1.347 20 0 BDADRP CC[C@@H](C)OCC[C@H](C)[N@H+](C)C[C@H](C)[NH3+] ZINC001246981809 973747950 /nfs/dbraw/zinc/74/79/50/973747950.db2.gz SCOGNXVJJKQFLV-SDDRHHMPSA-N 2 0 216.369 1.859 20 0 BDADRP CC(C)[C@H]1C[C@@H](N2CC[NH2+]CC[C@H]2C)CC[NH2+]1 ZINC001246982004 973748362 /nfs/dbraw/zinc/74/83/62/973748362.db2.gz AJTANPLYLPLSAV-HZSPNIEDSA-N 2 0 239.407 1.447 20 0 BDADRP CC[C@H](C)OCC[C@@H](C)[N@H+](C)C[C@H](C)[NH3+] ZINC001246981827 973751745 /nfs/dbraw/zinc/75/17/45/973751745.db2.gz SCOGNXVJJKQFLV-TUAOUCFPSA-N 2 0 216.369 1.859 20 0 BDADRP C1=C2[NH2+]CCN([C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@H]2CCC1 ZINC001246991155 973772160 /nfs/dbraw/zinc/77/21/60/973772160.db2.gz AAEIRGVWTFNPJV-JLNYLFASSA-N 2 0 247.386 1.611 20 0 BDADRP C1=C2NCC[N@@H+]([C@@H]3CCC4(C[NH2+]C4)C3)[C@H]2CCC1 ZINC001246991465 973782223 /nfs/dbraw/zinc/78/22/23/973782223.db2.gz BAVRKVQZCGBKNJ-OCCSQVGLSA-N 2 0 247.386 1.470 20 0 BDADRP C[C@@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])C1CCCCC1 ZINC001329498617 973799832 /nfs/dbraw/zinc/79/98/32/973799832.db2.gz FJZSZLRYEPRQIN-JQWIXIFHSA-N 2 0 241.379 1.138 20 0 BDADRP C[NH+](C)Cc1cccc(NC[C@@H]2CCCC[NH2+]2)n1 ZINC001171330516 973834393 /nfs/dbraw/zinc/83/43/93/973834393.db2.gz UVIZYXJMUKFNBS-LBPRGKRZSA-N 2 0 248.374 1.697 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1CO[C@H]1CCC[NH+](C)CC1 ZINC001224703172 973869333 /nfs/dbraw/zinc/86/93/33/973869333.db2.gz QUKZZFPQOUQZTK-KGLIPLIRSA-N 2 0 240.391 1.972 20 0 BDADRP C(CO[C@H]1C[NH+]2CCC1CC2)C[NH+]1CCCC1 ZINC001224745087 973902935 /nfs/dbraw/zinc/90/29/35/973902935.db2.gz WNNMOBSJZCIYEL-AWEZNQCLSA-N 2 0 238.375 1.583 20 0 BDADRP C[N@@H+]1CCC[C@H](OCCC[NH+]2CCCC2)C1 ZINC001224743492 973903746 /nfs/dbraw/zinc/90/37/46/973903746.db2.gz ATOISIAUNKOSOZ-ZDUSSCGKSA-N 2 0 226.364 1.583 20 0 BDADRP Cn1c[nH+]cc1N1c2ccccc2OC[C@@H]1C[NH3+] ZINC001171400700 974005765 /nfs/dbraw/zinc/00/57/65/974005765.db2.gz NVJRSZWJXQTOMP-JTQLQIEISA-N 2 0 244.298 1.278 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCc2c(F)cccc2C1 ZINC001171412441 974022557 /nfs/dbraw/zinc/02/25/57/974022557.db2.gz WZMMNFUYTIONEP-ZYHUDNBSSA-N 2 0 236.334 1.867 20 0 BDADRP CCC[NH2+]CCCNC(=O)CCCC[NH+](C)C ZINC001171585093 974092177 /nfs/dbraw/zinc/09/21/77/974092177.db2.gz JHAPBYUCHHPPSL-UHFFFAOYSA-N 2 0 243.395 1.224 20 0 BDADRP CCC[N@H+](CCC[NH3+])[C@@H]1CCN(CC)C(=O)C1 ZINC001172023689 974278997 /nfs/dbraw/zinc/27/89/97/974278997.db2.gz PSFZFQBTUBNPAB-GFCCVEGCSA-N 2 0 241.379 1.058 20 0 BDADRP C[NH+](C)CC(C)(C)CN1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206154044 974315341 /nfs/dbraw/zinc/31/53/41/974315341.db2.gz GOGNMNIOJPFYQG-NEPJUHHUSA-N 2 0 245.386 1.335 20 0 BDADRP [NH3+][C@H]1CCN(Cc2ccc[nH]2)CC[C@@H]1F ZINC001206155594 974331593 /nfs/dbraw/zinc/33/15/93/974331593.db2.gz MODYWXHOCALZML-QWRGUYRKSA-N 2 0 211.284 1.276 20 0 BDADRP N[C@@H]1CC[N@H+](C[C@H]2CCCCO2)CC[C@@H]1F ZINC001206156937 974333718 /nfs/dbraw/zinc/33/37/18/974333718.db2.gz UOEICFQMQFIJQR-GRYCIOLGSA-N 2 0 230.327 1.317 20 0 BDADRP Cn1nccc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172099822 974343431 /nfs/dbraw/zinc/34/34/31/974343431.db2.gz KRTDONHLIZEQJW-XYYAHUGASA-N 2 0 248.374 1.525 20 0 BDADRP COC1(C[N@H+](C)CC2CC[NH+](C)CC2)CCC1 ZINC001330601208 974348314 /nfs/dbraw/zinc/34/83/14/974348314.db2.gz UTWSMZUXMIMNSW-UHFFFAOYSA-N 2 0 240.391 1.829 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCC1COC1)C2 ZINC001172106016 974365183 /nfs/dbraw/zinc/36/51/83/974365183.db2.gz MHLYJLVTJFMCBD-ZSOGYDGISA-N 2 0 238.375 1.628 20 0 BDADRP C[C@H](C[NH+](C)C)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172103666 974370207 /nfs/dbraw/zinc/37/02/07/974370207.db2.gz WKQZYDKUPPMYIT-SYQHCUMBSA-N 2 0 239.407 1.541 20 0 BDADRP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1[C@@H]3COC[C@@H]31)C2 ZINC001172111156 974372085 /nfs/dbraw/zinc/37/20/85/974372085.db2.gz SQTVJDHMGJWESQ-QYVRYILPSA-N 2 0 236.359 1.236 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCc1cnoc1)C2 ZINC001172112553 974372449 /nfs/dbraw/zinc/37/24/49/974372449.db2.gz XNYHFUGWZSOLTE-BTTYYORXSA-N 2 0 249.358 1.822 20 0 BDADRP CN1CC(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172110299 974374114 /nfs/dbraw/zinc/37/41/14/974374114.db2.gz MKDLWTCTVCXASM-BTTYYORXSA-N 2 0 237.391 1.153 20 0 BDADRP C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C)C(C)(C)O ZINC001172110311 974375858 /nfs/dbraw/zinc/37/58/58/974375858.db2.gz LGBKPQOJPODDRD-FVCCEPFGSA-N 2 0 240.391 1.751 20 0 BDADRP C[C@H](O)CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172113028 974381624 /nfs/dbraw/zinc/38/16/24/974381624.db2.gz DYTNPJGCWHQILX-ZDEQEGDKSA-N 2 0 226.364 1.362 20 0 BDADRP C[C@H](C[NH3+])CN(C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172119216 974382652 /nfs/dbraw/zinc/38/26/52/974382652.db2.gz WDSUHVXXQMHMSL-MQYQWHSLSA-N 2 0 239.407 1.528 20 0 BDADRP CC[N@H+](CCC[NH+](C)C)C1C[C@H]2CC[C@@H](C1)O2 ZINC001172226730 974465477 /nfs/dbraw/zinc/46/54/77/974465477.db2.gz HURXSBBNXCCAFM-AGUYFDCRSA-N 2 0 240.391 1.970 20 0 BDADRP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](C1C[C@@H]3C=C[C@H](C1)O3)C2 ZINC001172244165 974509052 /nfs/dbraw/zinc/50/90/52/974509052.db2.gz JUGHAZRQZOJMSG-VAQLIOGMSA-N 2 0 248.370 1.356 20 0 BDADRP COCCC[NH+]1CCC([NH+]2CC(C)C2)CC1 ZINC001172249210 974513447 /nfs/dbraw/zinc/51/34/47/974513447.db2.gz GEZGHVIGCOWPIO-UHFFFAOYSA-N 2 0 226.364 1.439 20 0 BDADRP CC[C@H](C)OCC[C@H](C)NC(=[NH2+])SCC[NH3+] ZINC001172318665 974528718 /nfs/dbraw/zinc/52/87/18/974528718.db2.gz KRPCZBCAZCTVHA-UWVGGRQHSA-N 2 0 247.408 1.796 20 0 BDADRP CCOCC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C)C1 ZINC001172409622 974671719 /nfs/dbraw/zinc/67/17/19/974671719.db2.gz XWMGVRGVPDSLDH-RYUDHWBXSA-N 2 0 214.353 1.343 20 0 BDADRP CC(C)C[NH2+]CC(=O)NC1(C[NH3+])CCCCC1 ZINC001331724480 974803948 /nfs/dbraw/zinc/80/39/48/974803948.db2.gz FISACSXAQPGLIL-UHFFFAOYSA-N 2 0 241.379 1.010 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@@H](C)CC1CCOCC1 ZINC001331823421 974827443 /nfs/dbraw/zinc/82/74/43/974827443.db2.gz WODLICJSKIOHII-NEPJUHHUSA-N 2 0 228.380 1.779 20 0 BDADRP C[NH2+][C@@H](C)CC[NH2+][C@H](C)CC1CCOCC1 ZINC001331823423 974828427 /nfs/dbraw/zinc/82/84/27/974828427.db2.gz WODLICJSKIOHII-NWDGAFQWSA-N 2 0 228.380 1.779 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@H](C)[C@H]1CCCOC1 ZINC001331835293 974830700 /nfs/dbraw/zinc/83/07/00/974830700.db2.gz QIAAZQZTPFYPFG-UTUOFQBUSA-N 2 0 214.353 1.389 20 0 BDADRP [NH3+]CCOCC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172550892 974866936 /nfs/dbraw/zinc/86/69/36/974866936.db2.gz JAFFLVBBHSLPQI-HUUCEWRRSA-N 2 0 248.370 1.888 20 0 BDADRP [NH3+]CCCCCC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC001332110251 974956063 /nfs/dbraw/zinc/95/60/63/974956063.db2.gz YMIQGDXLRSNUBK-NWDGAFQWSA-N 2 0 241.379 1.139 20 0 BDADRP [NH3+]CCCCCC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC001332110250 974956903 /nfs/dbraw/zinc/95/69/03/974956903.db2.gz YMIQGDXLRSNUBK-NEPJUHHUSA-N 2 0 241.379 1.139 20 0 BDADRP C[NH+](C)C1CCC(Oc2cc[nH+]c(N)c2)CC1 ZINC001226657423 975004860 /nfs/dbraw/zinc/00/48/60/975004860.db2.gz PNTIUZACUVOFMS-UHFFFAOYSA-N 2 0 235.331 1.915 20 0 BDADRP CC[NH+](CC)C1CCC(N2CC[C@H]([NH3+])C2)CC1 ZINC001173101488 975022037 /nfs/dbraw/zinc/02/20/37/975022037.db2.gz ISYZPVZZSRLGIW-HSBZDZAISA-N 2 0 239.407 1.672 20 0 BDADRP CC[NH+](CC)C1CCC([NH2+][C@@H](C)CO)CC1 ZINC001173105597 975025305 /nfs/dbraw/zinc/02/53/05/975025305.db2.gz KTRNNGQPABKYDA-HIFPTAJRSA-N 2 0 228.380 1.610 20 0 BDADRP CC[NH+](CC)C1CCC([NH2+]CC2COC2)CC1 ZINC001173105193 975026954 /nfs/dbraw/zinc/02/69/54/975026954.db2.gz GYRPLVQFWOWDIU-UHFFFAOYSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@H]1CCc2ncsc2C1 ZINC001173128144 975037264 /nfs/dbraw/zinc/03/72/64/975037264.db2.gz HJZBFCFFMUKCQE-BDAKNGLRSA-N 2 0 225.361 1.185 20 0 BDADRP CC[NH+]1C[C@@H]2C[NH+]([C@H]3CCO[C@@H](C)C3)C[C@H]2C1 ZINC001173174742 975053672 /nfs/dbraw/zinc/05/36/72/975053672.db2.gz YSRBUTJJMJSDBO-DGAVXFQQSA-N 2 0 238.375 1.437 20 0 BDADRP C[C@]1(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)CC[NH2+]C1 ZINC001332338374 975061284 /nfs/dbraw/zinc/06/12/84/975061284.db2.gz CURGSCINSVJWIA-MJBXVCDLSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@@H]1CN(C)CC[C@H]1[NH2+][C@H]1CCO[C@@H](C)C1 ZINC001173171493 975066541 /nfs/dbraw/zinc/06/65/41/975066541.db2.gz XMGKHLIQBKAUEV-MROQNXINSA-N 2 0 226.364 1.484 20 0 BDADRP CCSC[C@@H](C)[NH+]1CCC(C)([NH3+])CC1 ZINC001173293805 975172058 /nfs/dbraw/zinc/17/20/58/975172058.db2.gz GPAKGCJPSOYOBV-SNVBAGLBSA-N 2 0 216.394 1.941 20 0 BDADRP CCSC[C@H](C)[NH2+]CCC[N@H+](C)CCO ZINC001173297106 975183858 /nfs/dbraw/zinc/18/38/58/975183858.db2.gz BXPSUYSYTZVNFZ-NSHDSACASA-N 2 0 234.409 1.032 20 0 BDADRP CC[N@@H+]1CC[C@@H](n2nc(C[NH3+])c3ccccc32)C1 ZINC001173352510 975299515 /nfs/dbraw/zinc/29/95/15/975299515.db2.gz OKAUWNCFVFDJOT-LLVKDONJSA-N 2 0 244.342 1.762 20 0 BDADRP CC[N@@H+]1CC[C@H](n2c(C[NH3+])nc3cnccc32)C1 ZINC001173356867 975314955 /nfs/dbraw/zinc/31/49/55/975314955.db2.gz GYHTWDSESQQQMA-JTQLQIEISA-N 2 0 245.330 1.157 20 0 BDADRP CC[N@@H+]1CC[C@@H](N2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC001173370270 975356250 /nfs/dbraw/zinc/35/62/50/975356250.db2.gz GIJJTKQLFZRANN-ZIAGYGMSSA-N 2 0 237.391 1.108 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+]C2CCC(C[NH3+])CC2)C1 ZINC001333596702 975878688 /nfs/dbraw/zinc/87/86/88/975878688.db2.gz LZSPITGQYVVZMS-FLWUZPLOSA-N 2 0 226.364 1.519 20 0 BDADRP CC[C@H](C)[C@@H](O)C[NH2+]CC1CC[NH+](C)CC1 ZINC001333670731 975969178 /nfs/dbraw/zinc/96/91/78/975969178.db2.gz LRZRIVZTXVUNOF-AAEUAGOBSA-N 2 0 228.380 1.325 20 0 BDADRP Cc1[nH+]cn(-c2ccccc2C[NH+](C)C)c1N ZINC001173930209 976041810 /nfs/dbraw/zinc/04/18/10/976041810.db2.gz QQBGKMXZFCLNJE-UHFFFAOYSA-N 2 0 230.315 1.825 20 0 BDADRP [NH3+]CCCC[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC001334391807 976487846 /nfs/dbraw/zinc/48/78/46/976487846.db2.gz ZVJOTBDXCOVTQD-AWEZNQCLSA-N 3 0 235.375 1.795 20 0 BDADRP C[NH2+]C[C@@H](C)CN[C@@H]1CC[NH2+]C12CCCC2 ZINC001334389757 976488736 /nfs/dbraw/zinc/48/87/36/976488736.db2.gz JGVMZXCYSCOZSM-VXGBXAGGSA-N 2 0 225.380 1.106 20 0 BDADRP Cc1[nH+]c(C)n(C[C@@H](O)C[N@@H+](C)C(C)C)c1C ZINC001334890577 976777833 /nfs/dbraw/zinc/77/78/33/976777833.db2.gz BWZTULYUGRWAOI-ZDUSSCGKSA-N 2 0 239.363 1.509 20 0 BDADRP [NH3+]CCCC[NH2+][C@@H]1CCc2ncsc2C1 ZINC000147855968 976952945 /nfs/dbraw/zinc/95/29/45/976952945.db2.gz CUMONMVXZADRHF-SECBINFHSA-N 2 0 225.361 1.329 20 0 BDADRP COc1ccc(CC[NH2+][C@H](C)C[C@@H](C)[NH3+])cn1 ZINC001335380381 977010562 /nfs/dbraw/zinc/01/05/62/977010562.db2.gz FRJMKPQPZVYSLV-GHMZBOCLSA-N 2 0 237.347 1.348 20 0 BDADRP CC[NH+](CC)C[C@@H](C)Nc1nccnc1C[NH3+] ZINC001336491535 977721955 /nfs/dbraw/zinc/72/19/55/977721955.db2.gz NBLIPXQATVSEEQ-SNVBAGLBSA-N 2 0 237.351 1.078 20 0 BDADRP c1cc(Nc2[nH]cc[nH+]2)n(-c2cc[nH+]cc2)n1 ZINC001176082374 977879717 /nfs/dbraw/zinc/87/97/17/977879717.db2.gz HWUKYMLPSFPVPF-UHFFFAOYSA-N 2 0 226.243 1.734 20 0 BDADRP Cc1cc(N)nc(N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)[nH+]1 ZINC001336870253 978012546 /nfs/dbraw/zinc/01/25/46/978012546.db2.gz FLBKLBGDURLLGI-HBNTYKKESA-N 2 0 247.346 1.119 20 0 BDADRP C[C@H](CNc1cc[nH+]cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001336915858 978053050 /nfs/dbraw/zinc/05/30/50/978053050.db2.gz GNNSNERVQVYRKC-UPJWGTAASA-N 2 0 249.358 1.413 20 0 BDADRP C[N@@H+]1CC[C@@H]2CN(c3cc[nH+]cc3)CC[C@@H]21 ZINC001336934053 978070544 /nfs/dbraw/zinc/07/05/44/978070544.db2.gz RGYHMPQPIGNKKY-YPMHNXCESA-N 2 0 217.316 1.612 20 0 BDADRP CC[C@@H](CNc1cc[nH+]cc1CO)[NH+]1CCCC1 ZINC001336970578 978092801 /nfs/dbraw/zinc/09/28/01/978092801.db2.gz RAUUEUNBOXPPDS-ZDUSSCGKSA-N 2 0 249.358 1.282 20 0 BDADRP CC[N@@H+]1CCC[C@H](OCC[NH+](C)C)C1 ZINC001206278737 978147519 /nfs/dbraw/zinc/14/75/19/978147519.db2.gz RYYDVBVKUUUBPP-NSHDSACASA-N 2 0 200.326 1.049 20 0 BDADRP C[NH+](C)CCOC1CC[NH+](C(C)(C)C)CC1 ZINC001206284996 978186817 /nfs/dbraw/zinc/18/68/17/978186817.db2.gz AEAXZDVNRIMQCA-UHFFFAOYSA-N 2 0 228.380 1.828 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@H+](C[C@@H]2CCOC2)CC1 ZINC001206292432 978283314 /nfs/dbraw/zinc/28/33/14/978283314.db2.gz ALULPKQHVUDIQN-QWHCGFSZSA-N 2 0 226.364 1.474 20 0 BDADRP CCC1(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)COC1 ZINC001206292627 978287983 /nfs/dbraw/zinc/28/79/83/978287983.db2.gz CYPMDZLCNTXKMD-ZDUSSCGKSA-N 2 0 240.391 1.864 20 0 BDADRP C[C@]1(C[NH3+])CCCN(C[C@H]2CCCC[NH2+]2)CC1 ZINC001206296471 978305864 /nfs/dbraw/zinc/30/58/64/978305864.db2.gz SWJNGXGRXBYPMV-KGLIPLIRSA-N 2 0 239.407 1.579 20 0 BDADRP C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC001206302544 978331384 /nfs/dbraw/zinc/33/13/84/978331384.db2.gz LMZDGSZVGSUCMK-UHFFFAOYSA-N 2 0 212.337 1.193 20 0 BDADRP Cn1cncc1C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206305409 978387803 /nfs/dbraw/zinc/38/78/03/978387803.db2.gz YNCIOUWWCGVFFZ-CYBMUJFWSA-N 2 0 236.363 1.371 20 0 BDADRP CN(C[C@H]1CCC[N@@H+]1C)c1cc[nH+]cc1 ZINC001337707794 978468725 /nfs/dbraw/zinc/46/87/25/978468725.db2.gz RMZQGGOCAVSSNI-GFCCVEGCSA-N 2 0 205.305 1.612 20 0 BDADRP Cn1cccc1CN1CCCC[C@](F)(C[NH3+])C1 ZINC001206334929 978590296 /nfs/dbraw/zinc/59/02/96/978590296.db2.gz AXMWHNVNMVJAEE-ZDUSSCGKSA-N 2 0 239.338 1.678 20 0 BDADRP CC(C)[N@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001277798738 978666056 /nfs/dbraw/zinc/66/60/56/978666056.db2.gz ABDGLYUCJIJHOP-BETUJISGSA-N 2 0 225.380 1.105 20 0 BDADRP CC[C@H](C)[NH+]1CC2(CCN2CCn2ccnc2)C1 ZINC001277807020 978695163 /nfs/dbraw/zinc/69/51/63/978695163.db2.gz KFEXQOUOILNNAE-ZDUSSCGKSA-N 2 0 248.374 1.442 20 0 BDADRP CC(C)(C)[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)C2CC2)C1 ZINC001338491141 978696360 /nfs/dbraw/zinc/69/63/60/978696360.db2.gz FHTXRBVIIAXTDS-DGCLKSJQSA-N 2 0 240.391 1.467 20 0 BDADRP Cc1ccncc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001179816640 978760841 /nfs/dbraw/zinc/76/08/41/978760841.db2.gz MNGPELRFFQKYIM-VHDGCEQUSA-N 2 0 245.370 1.820 20 0 BDADRP Cc1ccncc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001179816637 978760860 /nfs/dbraw/zinc/76/08/60/978760860.db2.gz MNGPELRFFQKYIM-NWANDNLSSA-N 2 0 245.370 1.820 20 0 BDADRP C[NH+]1CCC(CCN2C[C@H]([NH3+])C[C@@H](F)C2)CC1 ZINC001206405119 978799893 /nfs/dbraw/zinc/79/98/93/978799893.db2.gz OSPPZQXKUZKIGC-CHWSQXEVSA-N 2 0 243.370 1.089 20 0 BDADRP CC[NH+](CC)CC(=O)NCCCCC[NH+](C)C ZINC001180390431 978873634 /nfs/dbraw/zinc/87/36/34/978873634.db2.gz UEGXIVYMQABQKU-UHFFFAOYSA-N 2 0 243.395 1.176 20 0 BDADRP C([C@H]1CCC[NH2+]1)N1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235038293 978957243 /nfs/dbraw/zinc/95/72/43/978957243.db2.gz FMFIMZVDEICFAG-ZIAGYGMSSA-N 2 0 237.391 1.347 20 0 BDADRP C(C1CC2(C1)CC[NH2+]CC2)N1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235071816 978967947 /nfs/dbraw/zinc/96/79/47/978967947.db2.gz CWQPWXZZVPHEPA-ZIAGYGMSSA-N 2 0 249.402 1.202 20 0 BDADRP c1cc(CN2CCCC23C[NH2+]C3)cc2c1C[NH2+]C2 ZINC001235089096 978974209 /nfs/dbraw/zinc/97/42/09/978974209.db2.gz GHJPMWLLJZXVEC-UHFFFAOYSA-N 2 0 243.354 1.228 20 0 BDADRP CC1(C[N@@H+]2CCC[C@@]23CC[NH2+]C3)CC[NH2+]CC1 ZINC001235112216 978977022 /nfs/dbraw/zinc/97/70/22/978977022.db2.gz YXJCUSGQZCRYBF-AWEZNQCLSA-N 3 0 237.391 1.204 20 0 BDADRP C[NH+]1CCC(CCN2CC[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001235165789 978986135 /nfs/dbraw/zinc/98/61/35/978986135.db2.gz LTSZCWPGMNTPFL-UONOGXRCSA-N 2 0 237.391 1.141 20 0 BDADRP CN(CC[C@H]1CCCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC001235342036 979023088 /nfs/dbraw/zinc/02/30/88/979023088.db2.gz GRALBNOFVUGEMX-OLZOCXBDSA-N 2 0 225.380 1.202 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CCOC[C@H]2C)CC1 ZINC001181266612 979030701 /nfs/dbraw/zinc/03/07/01/979030701.db2.gz LSAQIDPFFZRDMO-GFCCVEGCSA-N 2 0 226.364 1.439 20 0 BDADRP CN(CC[C@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC001235342032 979031147 /nfs/dbraw/zinc/03/11/47/979031147.db2.gz GQSZECAQXKMQHM-OLZOCXBDSA-N 2 0 225.380 1.060 20 0 BDADRP CC[NH2+]CCN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235429512 979046129 /nfs/dbraw/zinc/04/61/29/979046129.db2.gz YVUUKJZTYFOUQF-KBPBESRZSA-N 2 0 239.407 1.308 20 0 BDADRP CC(C)[C@@H]1CN(CC2(F)CC[NH2+]CC2)CC[NH2+]1 ZINC001235470863 979053689 /nfs/dbraw/zinc/05/36/89/979053689.db2.gz HGABEURJWHMPER-LBPRGKRZSA-N 2 0 243.370 1.008 20 0 BDADRP CCc1ncnc2c1CC[N@H+](CCCC[NH3+])CC2 ZINC001235563515 979100411 /nfs/dbraw/zinc/10/04/11/979100411.db2.gz KTUSXZFOUJBFPF-UHFFFAOYSA-N 2 0 248.374 1.179 20 0 BDADRP CO[C@@H]1CCC[C@@H]2C[N@H+](CCCC[NH3+])C[C@@H]21 ZINC001235626282 979105251 /nfs/dbraw/zinc/10/52/51/979105251.db2.gz UISYESVRQFXCDT-FRRDWIJNSA-N 2 0 226.364 1.472 20 0 BDADRP [NH3+]CCCC[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC001235673224 979113273 /nfs/dbraw/zinc/11/32/73/979113273.db2.gz MWLIWPUDRQSRNW-CYBMUJFWSA-N 2 0 219.332 1.610 20 0 BDADRP [NH3+]CCCCN1CCCC[C@H]1C[NH+]1CCCC1 ZINC001235679928 979121166 /nfs/dbraw/zinc/12/11/66/979121166.db2.gz SGJNBTXINUXCHS-AWEZNQCLSA-N 2 0 239.407 1.676 20 0 BDADRP [NH3+]CCCC[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC001235715884 979132967 /nfs/dbraw/zinc/13/29/67/979132967.db2.gz WZLJRNGBJVIEDY-CYBMUJFWSA-N 2 0 219.332 1.610 20 0 BDADRP [NH3+]CCCC(=O)N1C[C@H](CC[NH3+])c2ccccc21 ZINC001340899157 979147881 /nfs/dbraw/zinc/14/78/81/979147881.db2.gz BDMKCHQWPAKGAS-NSHDSACASA-N 2 0 247.342 1.205 20 0 BDADRP CC1(C)C[N@H+](CCC2CC[NH2+]CC2)CCN1 ZINC001235832832 979163613 /nfs/dbraw/zinc/16/36/13/979163613.db2.gz HQUPIHFTDIOYLN-UHFFFAOYSA-N 2 0 225.380 1.060 20 0 BDADRP CC1(C)C[N@H+](CC2(C)CC[NH2+]CC2)CCN1 ZINC001235833507 979165305 /nfs/dbraw/zinc/16/53/05/979165305.db2.gz QLTAQXNDKCRNCE-UHFFFAOYSA-N 2 0 225.380 1.060 20 0 BDADRP CC1(C)CN(Cc2ccc3c(c2)C[NH2+]C3)CC[NH2+]1 ZINC001235837709 979168710 /nfs/dbraw/zinc/16/87/10/979168710.db2.gz JPCXWMOOYQXZJX-UHFFFAOYSA-N 2 0 245.370 1.474 20 0 BDADRP c1ccc([C@H]2CN(C[C@H]3CC[NH2+]C3)CC[NH2+]2)cc1 ZINC001235859828 979175221 /nfs/dbraw/zinc/17/52/21/979175221.db2.gz PNVGMRFWUQIVOO-DZGCQCFKSA-N 2 0 245.370 1.242 20 0 BDADRP CC(C)(CCN(CC[NH3+])CC[NH3+])c1ccccc1 ZINC001235876773 979176258 /nfs/dbraw/zinc/17/62/58/979176258.db2.gz IQFOUHYSYFEPTJ-UHFFFAOYSA-N 2 0 249.402 1.574 20 0 BDADRP CC/C=C\CCCCCN(CC[NH3+])CC[NH3+] ZINC001235876888 979177119 /nfs/dbraw/zinc/17/71/19/979177119.db2.gz KCAVUCIQHONLCG-ARJAWSKDSA-N 2 0 227.396 1.732 20 0 BDADRP Cc1ccc2c(CN(CC[NH3+])CC[NH3+])c[nH]c2c1 ZINC001235875263 979178322 /nfs/dbraw/zinc/17/83/22/979178322.db2.gz DEYBRFOIXOASIY-UHFFFAOYSA-N 2 0 246.358 1.196 20 0 BDADRP C[C@H]1CC[C@@H]([NH3+])CN1C[C@@H]([NH3+])c1ccccc1 ZINC001235892393 979183408 /nfs/dbraw/zinc/18/34/08/979183408.db2.gz PIWDYLNVBNFRTN-IACUBPJLSA-N 2 0 233.359 1.498 20 0 BDADRP [NH3+][C@@H]1CN(Cc2ccc3c(c2)C[NH2+]C3)CC[C@H]1F ZINC001235910345 979200014 /nfs/dbraw/zinc/20/00/14/979200014.db2.gz FYEXBRFDYDGCMZ-ZIAGYGMSSA-N 2 0 249.333 1.161 20 0 BDADRP CN(C[C@@H]([NH3+])c1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC001235951803 979217884 /nfs/dbraw/zinc/21/78/84/979217884.db2.gz TYMZHSBRMWYLFH-DZGCQCFKSA-N 2 0 247.386 1.618 20 0 BDADRP CC1(C)C[C@H](C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)CCO1 ZINC001235977321 979240958 /nfs/dbraw/zinc/24/09/58/979240958.db2.gz GNBDFIITDLRFLJ-BZPMIXESSA-N 2 0 238.375 1.615 20 0 BDADRP [NH3+][C@@]12CC[C@H]1C[N@H+](CCC1CCOCC1)C2 ZINC001235978174 979249430 /nfs/dbraw/zinc/24/94/30/979249430.db2.gz JAUWTTRUQSGYHU-QWHCGFSZSA-N 2 0 224.348 1.226 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)c1ccccc1C[NH3+] ZINC001341165005 979260809 /nfs/dbraw/zinc/26/08/09/979260809.db2.gz OSIMGUJSNABTHZ-VHSXEESVSA-N 2 0 235.331 1.001 20 0 BDADRP CC1(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)CCOCC1 ZINC001235980867 979263733 /nfs/dbraw/zinc/26/37/33/979263733.db2.gz RYIFFDCKNHANHJ-DGCLKSJQSA-N 2 0 224.348 1.226 20 0 BDADRP [NH3+][C@]12CC[C@H]1CN(Cc1ccc3c(c1)C[NH2+]C3)C2 ZINC001235986368 979267368 /nfs/dbraw/zinc/26/73/68/979267368.db2.gz DURJTBSRXWLDCD-GJZGRUSLSA-N 2 0 243.354 1.213 20 0 BDADRP Cc1cccc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1 ZINC001235992783 979278052 /nfs/dbraw/zinc/27/80/52/979278052.db2.gz LSFIAROFTANLID-YIONKMFJSA-N 2 0 246.354 1.401 20 0 BDADRP [NH3+]Cc1cccc(CN2C[C@@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235995620 979286638 /nfs/dbraw/zinc/28/66/38/979286638.db2.gz VLIWVMSRROSGCQ-UONOGXRCSA-N 2 0 231.343 1.068 20 0 BDADRP CCN(C[C@H]1CCCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC001236003834 979291181 /nfs/dbraw/zinc/29/11/81/979291181.db2.gz ARDWNWITNPKHJC-CHWSQXEVSA-N 2 0 225.380 1.202 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CN(Cc2cccc(C[NH3+])c2)C1 ZINC001236052283 979344295 /nfs/dbraw/zinc/34/42/95/979344295.db2.gz PXFDFQCTJFCMOU-BXUZGUMPSA-N 2 0 233.359 1.314 20 0 BDADRP C[C@@H]1CN(CCC[NH2+]C2CCCCC2)C[C@@H]1[NH3+] ZINC001236094796 979382438 /nfs/dbraw/zinc/38/24/38/979382438.db2.gz XCIHPBPHJHCLQJ-OCCSQVGLSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@@H]1CNC[C@@H](C)[NH+]1CC[C@H]1CCC[NH2+]C1 ZINC001236103677 979394441 /nfs/dbraw/zinc/39/44/41/979394441.db2.gz BZKXBRYBSJHIQN-JHJVBQTASA-N 2 0 225.380 1.058 20 0 BDADRP Nc1ccc2c(c1)CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001236106912 979394704 /nfs/dbraw/zinc/39/47/04/979394704.db2.gz JPSFJDASNDBDGF-UHFFFAOYSA-N 2 0 245.370 1.627 20 0 BDADRP Fc1ccc([C@H]2C[NH2+]CCN2C[C@H]2CC[NH2+]2)cc1 ZINC001236131143 979403749 /nfs/dbraw/zinc/40/37/49/979403749.db2.gz VGZUDFWHYRLOBF-ZIAGYGMSSA-N 2 0 249.333 1.134 20 0 BDADRP CN(CC1(F)CC[NH2+]CC1)[C@@]1(C)CCC[NH2+]C1 ZINC001236200571 979445921 /nfs/dbraw/zinc/44/59/21/979445921.db2.gz IBUSCMKFUQTNRQ-LBPRGKRZSA-N 2 0 243.370 1.152 20 0 BDADRP C[NH2+]C1CCC(N(C)C[C@@H]2CCCC[NH2+]2)CC1 ZINC001236211984 979452596 /nfs/dbraw/zinc/45/25/96/979452596.db2.gz AZZJTBLUFOFGFN-MOKVOYLWSA-N 2 0 239.407 1.591 20 0 BDADRP C[NH2+]CCCC(=O)Nc1ccccc1C[NH3+] ZINC001341573325 979475661 /nfs/dbraw/zinc/47/56/61/979475661.db2.gz GZKHFGZPXWVDSH-UHFFFAOYSA-N 2 0 221.304 1.083 20 0 BDADRP [NH3+]CCN(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236285807 979490205 /nfs/dbraw/zinc/49/02/05/979490205.db2.gz GXSJYCLXDWMFHN-UHFFFAOYSA-N 2 0 233.359 1.199 20 0 BDADRP CN(CC[N@H+](C)CCCC[NH3+])Cc1ccccc1 ZINC001236307927 979511949 /nfs/dbraw/zinc/51/19/49/979511949.db2.gz PQUATUHSRGCTFH-UHFFFAOYSA-N 2 0 249.402 1.789 20 0 BDADRP C[C@@H]([NH3+])CN(C)CC[N@H+](C)Cc1ccccc1 ZINC001236308592 979512011 /nfs/dbraw/zinc/51/20/11/979512011.db2.gz UDHOVBNLJPJRSH-CYBMUJFWSA-N 2 0 235.375 1.397 20 0 BDADRP C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccccc1C[NH3+] ZINC001341671985 979518553 /nfs/dbraw/zinc/51/85/53/979518553.db2.gz WGRZSPYWILRYAT-IUCAKERBSA-N 2 0 221.304 1.067 20 0 BDADRP CC(C)(C)C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314988 979522909 /nfs/dbraw/zinc/52/29/09/979522909.db2.gz UDJKSSSHPRVSEB-TXEJJXNPSA-N 2 0 210.365 1.964 20 0 BDADRP Cc1cccnc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314339 979523799 /nfs/dbraw/zinc/52/37/99/979523799.db2.gz BGBRXYADBWPAQB-OKILXGFUSA-N 2 0 245.370 1.821 20 0 BDADRP Oc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1 ZINC001236314462 979525821 /nfs/dbraw/zinc/52/58/21/979525821.db2.gz NKERFCDNAGTTPM-OKILXGFUSA-N 2 0 246.354 1.824 20 0 BDADRP CC[C@@H](C)C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314152 979526217 /nfs/dbraw/zinc/52/62/17/979526217.db2.gz HZXNBBBZCPXRJX-UPJWGTAASA-N 2 0 210.365 1.964 20 0 BDADRP C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1C(=O)CCC(C)(C)[NH3+] ZINC001341763631 979539317 /nfs/dbraw/zinc/53/93/17/979539317.db2.gz FYMKVHFTKRTYMZ-OUAUKWLOSA-N 2 0 241.379 1.101 20 0 BDADRP CN1CC[C@@H]2CC[C@H](C1)[N@@H+]2CC[C@H]1CCOC1 ZINC001341856074 979577800 /nfs/dbraw/zinc/57/78/00/979577800.db2.gz LVWOYPANPQSCAS-MELADBBJSA-N 2 0 238.375 1.582 20 0 BDADRP c1cc(CN2C[C@@H]3CC[C@H]2C[NH2+]3)cc2c1C[NH2+]C2 ZINC001236428372 979596137 /nfs/dbraw/zinc/59/61/37/979596137.db2.gz SBOAZENGDSUOJB-GJZGRUSLSA-N 2 0 243.354 1.226 20 0 BDADRP [NH3+]CCN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001236442194 979598362 /nfs/dbraw/zinc/59/83/62/979598362.db2.gz ZVCKNMUGMSJLDI-CABCVRRESA-N 2 0 245.370 1.151 20 0 BDADRP C[C@H]([NH3+])CN(CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236458749 979602912 /nfs/dbraw/zinc/60/29/12/979602912.db2.gz XOBZYAHPEVIEAP-NSHDSACASA-N 2 0 227.396 1.434 20 0 BDADRP CC(C)[N@H+](CC1CC[NH2+]CC1)[C@@H]1CCCNC1 ZINC001236468913 979604990 /nfs/dbraw/zinc/60/49/90/979604990.db2.gz NWWFINDLPDAXME-CQSZACIVSA-N 2 0 239.407 1.448 20 0 BDADRP CC[C@@H](C)C[C@@H]([NH3+])C(=O)NCCC[NH2+]C1CC1 ZINC001342124519 979670427 /nfs/dbraw/zinc/67/04/27/979670427.db2.gz JXOHXGJJUHUQEZ-ZYHUDNBSSA-N 2 0 241.379 1.008 20 0 BDADRP Cc1cccnc1O[C@@H]1CC[N@H+](CCCC[NH3+])C1 ZINC001236664000 979687602 /nfs/dbraw/zinc/68/76/02/979687602.db2.gz NODBGYDBOAAMGI-CYBMUJFWSA-N 2 0 249.358 1.582 20 0 BDADRP CCC[N@H+](CCCCO)C[C@@H]1CC[NH2+]C1 ZINC001236827675 979748646 /nfs/dbraw/zinc/74/86/46/979748646.db2.gz GLRNEZIDLDUGRA-GFCCVEGCSA-N 2 0 214.353 1.080 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC[C@H]3CCCC[NH2+]3)C[C@@H]12 ZINC001236821645 979746229 /nfs/dbraw/zinc/74/62/29/979746229.db2.gz WARWIKMLZKFUFV-AAVRWANBSA-N 3 0 237.391 1.188 20 0 BDADRP C[NH+](C)Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001236886244 979784118 /nfs/dbraw/zinc/78/41/18/979784118.db2.gz AGCBWAZYEPMFET-UHFFFAOYSA-N 2 0 233.359 1.500 20 0 BDADRP C[C@H]([NH3+])CN(C)Cc1cc2c[nH+]ccc2[nH]1 ZINC001236903416 979786232 /nfs/dbraw/zinc/78/62/32/979786232.db2.gz CACFCCNSBKSQLC-VIFPVBQESA-N 2 0 218.304 1.342 20 0 BDADRP [NH3+]CCN1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236947254 979795708 /nfs/dbraw/zinc/79/57/08/979795708.db2.gz IFVIUWNCGVKLHK-UHFFFAOYSA-N 2 0 225.380 1.047 20 0 BDADRP CC(C)N1CC[N@H+](CCCC[NH3+])C[C@@H]1C ZINC001236950676 979796761 /nfs/dbraw/zinc/79/67/61/979796761.db2.gz OPNHJSOMXGPYGQ-LBPRGKRZSA-N 2 0 213.369 1.140 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1CC[NH3+] ZINC001236998063 979798860 /nfs/dbraw/zinc/79/88/60/979798860.db2.gz BRPOUAIOXRZNQO-ZIAGYGMSSA-N 2 0 247.386 1.540 20 0 BDADRP C[C@]1([NH3+])CCC[N@H+](Cc2ccc(=O)[nH]c2)CC1 ZINC001205263790 979813538 /nfs/dbraw/zinc/81/35/38/979813538.db2.gz CBNFXSHLRPHGML-ZDUSSCGKSA-N 2 0 235.331 1.491 20 0 BDADRP C1=C2[NH2+]CCN(CC[C@@H]3CCCC[NH2+]3)[C@@H]2CCC1 ZINC001237220501 979851686 /nfs/dbraw/zinc/85/16/86/979851686.db2.gz RQVJFZFKLINPCZ-DZGCQCFKSA-N 2 0 249.402 1.860 20 0 BDADRP C[NH+]1CCC2(C[NH+](Cc3cccc(N)c3)C2)CC1 ZINC001237220702 979852058 /nfs/dbraw/zinc/85/20/58/979852058.db2.gz ZPKLXXMLTZDVQX-UHFFFAOYSA-N 2 0 245.370 1.796 20 0 BDADRP C1=C2[NH2+]CCN(CC[C@H]3CCCC[NH2+]3)[C@@H]2CCC1 ZINC001237220503 979853018 /nfs/dbraw/zinc/85/30/18/979853018.db2.gz RQVJFZFKLINPCZ-UKRRQHHQSA-N 2 0 249.402 1.860 20 0 BDADRP [NH3+]CCCC[N@@H+]1C[C@H]2CCCC(=O)[C@@H]2C1 ZINC001237276377 979858244 /nfs/dbraw/zinc/85/82/44/979858244.db2.gz VQUNRHZROASYDF-GHMZBOCLSA-N 2 0 210.321 1.026 20 0 BDADRP [NH3+]CCCC[N@@H+]1C[C@@H]2CCCC(=O)[C@@H]2C1 ZINC001237276420 979858626 /nfs/dbraw/zinc/85/86/26/979858626.db2.gz VQUNRHZROASYDF-WDEREUQCSA-N 2 0 210.321 1.026 20 0 BDADRP C[C@@]1([NH3+])CCCN(Cc2ccc(O)cn2)CC1 ZINC001205281156 979878774 /nfs/dbraw/zinc/87/87/74/979878774.db2.gz QKQIUPPKBCDIAV-CYBMUJFWSA-N 2 0 235.331 1.491 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)N1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237375344 979878875 /nfs/dbraw/zinc/87/88/75/979878875.db2.gz MANRXXKOTBVZSZ-MCIONIFRSA-N 2 0 237.391 1.060 20 0 BDADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001343084061 980000940 /nfs/dbraw/zinc/00/09/40/980000940.db2.gz BOCWJSBFDDEEGM-UTUOFQBUSA-N 2 0 241.379 1.008 20 0 BDADRP CCc1n[nH]cc1C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001237652129 980009852 /nfs/dbraw/zinc/00/98/52/980009852.db2.gz FJYFNIMZKFXHIL-UHFFFAOYSA-N 2 0 248.374 1.500 20 0 BDADRP [NH3+]Cc1ccccc1NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC001343110904 980011061 /nfs/dbraw/zinc/01/10/61/980011061.db2.gz ZLCYGWJDBGFRNT-LBPRGKRZSA-N 2 0 247.342 1.616 20 0 BDADRP C[NH2+]CCCC(=O)N(C)CC(C)(C)C[NH+](C)C ZINC001343143403 980020590 /nfs/dbraw/zinc/02/05/90/980020590.db2.gz SERAMJGHVXFERQ-UHFFFAOYSA-N 2 0 243.395 1.032 20 0 BDADRP CC(C)(C[NH3+])CC(=O)Nc1ccccc1C[NH3+] ZINC001343218941 980039636 /nfs/dbraw/zinc/03/96/36/980039636.db2.gz YNRYUGKUXVYNPE-UHFFFAOYSA-N 2 0 235.331 1.459 20 0 BDADRP CC(C)CC[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001184387969 980060179 /nfs/dbraw/zinc/06/01/79/980060179.db2.gz OCCXOEJXKHLHGN-YNEHKIRRSA-N 2 0 210.365 1.962 20 0 BDADRP C[NH+](C)CCc1cnn(C2CC[NH+](C)CC2)c1 ZINC001250157142 980112523 /nfs/dbraw/zinc/11/25/23/980112523.db2.gz ALFFEIYDXDUUSF-UHFFFAOYSA-N 2 0 236.363 1.254 20 0 BDADRP C[NH+](C)CCc1cccc(N2CC[NH+](C)CC2)c1 ZINC001250159833 980115216 /nfs/dbraw/zinc/11/52/16/980115216.db2.gz MRKUPHRIDFWATK-UHFFFAOYSA-N 2 0 247.386 1.543 20 0 BDADRP CC(C)(C)[C@H]([NH3+])CC(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC001343528267 980142522 /nfs/dbraw/zinc/14/25/22/980142522.db2.gz ZHDDUCQMCWLUNO-NXEZZACHSA-N 2 0 241.379 1.007 20 0 BDADRP C[C@H]1CC[N@H+](Cc2cccc(C[NH3+])c2)C[C@H]1C[NH3+] ZINC001205317987 980154631 /nfs/dbraw/zinc/15/46/31/980154631.db2.gz RKMOUOKOQSJBOR-SWLSCSKDSA-N 3 0 247.386 1.562 20 0 BDADRP C[C@H]1CC[NH2+]CCN1C[C@@H]([NH3+])c1ccccc1 ZINC001205326079 980193481 /nfs/dbraw/zinc/19/34/81/980193481.db2.gz URMKIPZYUYPSOG-GXTWGEPZSA-N 2 0 233.359 1.370 20 0 BDADRP CC1(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)OCCO1 ZINC001345098076 980545043 /nfs/dbraw/zinc/54/50/43/980545043.db2.gz QKMXINNGTQOQNS-LLVKDONJSA-N 2 0 242.363 1.117 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@](C)(CO)C2)CC[NH2+]1 ZINC001345100909 980546830 /nfs/dbraw/zinc/54/68/30/980546830.db2.gz VVRWOIDPGFLETD-MCIONIFRSA-N 2 0 240.391 1.469 20 0 BDADRP [NH3+]CCCC[NH2+]C[C@@H]1CCOc2ccccc21 ZINC001345104661 980550145 /nfs/dbraw/zinc/55/01/45/980550145.db2.gz MUDDAHYHSBOXBN-LBPRGKRZSA-N 2 0 234.343 1.881 20 0 BDADRP C[NH2+][C@@H](C)CC[NH2+]CCC(C)(C)C(=O)OC ZINC001345103165 980551209 /nfs/dbraw/zinc/55/12/09/980551209.db2.gz DAEBEXYICCZNDN-JTQLQIEISA-N 2 0 230.352 1.163 20 0 BDADRP CC(C)([NH3+])c1ccc(NC(=O)CC[NH3+])cc1 ZINC001345603730 980643953 /nfs/dbraw/zinc/64/39/53/980643953.db2.gz SXCULSZYSVGFEH-UHFFFAOYSA-N 2 0 221.304 1.168 20 0 BDADRP [NH3+]Cc1ccccc1NC(=O)CCC1C[NH2+]C1 ZINC001345705021 980674309 /nfs/dbraw/zinc/67/43/09/980674309.db2.gz CCEKJTAZMBNPMR-UHFFFAOYSA-N 2 0 233.315 1.083 20 0 BDADRP C[NH2+][C@H](C)Cc1noc([C@H]2CCCC[C@@H]2[NH3+])n1 ZINC001345929665 980711306 /nfs/dbraw/zinc/71/13/06/980711306.db2.gz CHEYKSRDDCDLHR-UTLUCORTSA-N 2 0 238.335 1.205 20 0 BDADRP C[NH+](C)Cc1ccccc1C[NH2+]C[C@@H](O)C1CC1 ZINC001346123694 980759701 /nfs/dbraw/zinc/75/97/01/980759701.db2.gz VHFRSJKDUNQKHT-OAHLLOKOSA-N 2 0 248.370 1.609 20 0 BDADRP [NH3+]C[C@]1(F)CCC[N@H+](CC2CC[NH2+]CC2)CC1 ZINC001205537957 980911865 /nfs/dbraw/zinc/91/18/65/980911865.db2.gz KVVPMNULFVFESD-ZDUSSCGKSA-N 3 0 243.370 1.139 20 0 BDADRP C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205545622 980948546 /nfs/dbraw/zinc/94/85/46/980948546.db2.gz KRVOOFPWKOHQPQ-WOPDTQHZSA-N 2 0 214.328 1.795 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@H]2CCOC2)CC[C@H]1C[NH3+] ZINC001205600406 981155158 /nfs/dbraw/zinc/15/51/58/981155158.db2.gz BGARMFSBVMPVIJ-UPJWGTAASA-N 2 0 226.364 1.330 20 0 BDADRP CC(C)(C)[NH2+]CCN1CC[C@H]2OCCC[C@H]2C1 ZINC001348511809 981378588 /nfs/dbraw/zinc/37/85/88/981378588.db2.gz WLHHTQYWRLXRME-QWHCGFSZSA-N 2 0 240.391 1.875 20 0 BDADRP [NH3+]Cc1ncc(-c2ccc3c(c2)CC[NH2+]C3)cn1 ZINC001240457274 981391987 /nfs/dbraw/zinc/39/19/87/981391987.db2.gz ZAIMPHXOHNGISV-UHFFFAOYSA-N 2 0 240.310 1.248 20 0 BDADRP C[C@]1(C[NH2+][C@H]2CC[NH2+]C23CCCC3)CCOC1 ZINC000925485086 981446698 /nfs/dbraw/zinc/44/66/98/981446698.db2.gz APTBLJHEUMAGJL-QWHCGFSZSA-N 2 0 238.375 1.677 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2c[nH]ccc2=O)CC[C@@H]1C[NH3+] ZINC001205652257 981546036 /nfs/dbraw/zinc/54/60/36/981546036.db2.gz OSZUYEDZMWJYSN-VXGBXAGGSA-N 2 0 249.358 1.182 20 0 BDADRP O[C@@]1(C[NH2+]CCC2CCCCC2)CC[NH2+]C1 ZINC001580879427 981676319 /nfs/dbraw/zinc/67/63/19/981676319.db2.gz AGKFCGXGJGQCHF-CYBMUJFWSA-N 2 0 226.364 1.271 20 0 BDADRP OC[C@@H](CC1CCC1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001580882681 981691449 /nfs/dbraw/zinc/69/14/49/981691449.db2.gz WVTSOQKOYJQEAQ-CHWSQXEVSA-N 2 0 226.364 1.127 20 0 BDADRP OC[C@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001580884406 981694725 /nfs/dbraw/zinc/69/47/25/981694725.db2.gz ADLTZSDULAMGBP-RKQHYHRCSA-N 2 0 238.375 1.125 20 0 BDADRP OCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001580883567 981699112 /nfs/dbraw/zinc/69/91/12/981699112.db2.gz UXJWEYPXYWFJJC-FRRDWIJNSA-N 2 0 226.364 1.127 20 0 BDADRP c1cc(C[NH2+]C[C@H]2CCC[NH2+]CC2)no1 ZINC001580888031 981717785 /nfs/dbraw/zinc/71/77/85/981717785.db2.gz OYNQEFANIURFKZ-JTQLQIEISA-N 2 0 209.293 1.154 20 0 BDADRP c1ccc2c(c1)CC(C[NH2+]C[C@@H]1CC[NH2+]1)C2 ZINC001580896101 981726806 /nfs/dbraw/zinc/72/68/06/981726806.db2.gz ZMKVECSPGCHBKK-AWEZNQCLSA-N 2 0 216.328 1.353 20 0 BDADRP c1cnc([C@@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)cn1 ZINC001580896857 981733802 /nfs/dbraw/zinc/73/38/02/981733802.db2.gz VPNHEROZOQRORJ-CYBMUJFWSA-N 2 0 246.358 1.266 20 0 BDADRP c1cnc([C@H]2CC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)cn1 ZINC001580896700 981737067 /nfs/dbraw/zinc/73/70/67/981737067.db2.gz NNAFIUSFCMFTGY-STQMWFEESA-N 2 0 246.358 1.266 20 0 BDADRP [NH3+]Cc1cccc(C=C2CC[NH2+]CC2)n1 ZINC001240873349 981912979 /nfs/dbraw/zinc/91/29/79/981912979.db2.gz BARCHSBGUSAXDT-UHFFFAOYSA-N 2 0 203.289 1.307 20 0 BDADRP CCN(CC[NH2+]C(C)C)C(=O)CC[N@H+](C)CC ZINC001273693904 982148547 /nfs/dbraw/zinc/14/85/47/982148547.db2.gz ATOSCEKOOWGEDU-UHFFFAOYSA-N 2 0 243.395 1.175 20 0 BDADRP C[N@H+]1CC=C(c2ccccc2CC[NH3+])CC1 ZINC001241327706 982487639 /nfs/dbraw/zinc/48/76/39/982487639.db2.gz PJEOOPIEVYHNLY-UHFFFAOYSA-N 2 0 216.328 1.907 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH3+])N(CC[C@@H]2CCCC[NH2+]2)C1 ZINC001205803637 982558001 /nfs/dbraw/zinc/55/80/01/982558001.db2.gz IHYPQANCVFZDID-RDBSUJKOSA-N 2 0 239.407 1.578 20 0 BDADRP [NH3+]CC1CCC([NH2+]C/C=C/Cl)CC1 ZINC001352762625 982570572 /nfs/dbraw/zinc/57/05/72/982570572.db2.gz WWFIZOWTEVWQHG-LZCJLJQNSA-N 2 0 202.729 1.846 20 0 BDADRP [NH3+]C[C@]12CC[C@@H]1CCCN2C[C@@H]1CCC[NH2+]C1 ZINC001352776656 982570942 /nfs/dbraw/zinc/57/09/42/982570942.db2.gz DEALFCXJKVWMEG-HZSPNIEDSA-N 2 0 237.391 1.189 20 0 BDADRP COC1(C[NH2+]C[C@H](C)C[NH+]2CCCC2)CCC1 ZINC001352848809 982595536 /nfs/dbraw/zinc/59/55/36/982595536.db2.gz DKYGAFYHVJJIEO-ZDUSSCGKSA-N 2 0 240.391 1.877 20 0 BDADRP CC(C)([NH3+])CCNC(=O)c1cccc2c1C[NH2+]C2 ZINC001353125852 982706239 /nfs/dbraw/zinc/70/62/39/982706239.db2.gz JGQCGRQMCNLCIM-UHFFFAOYSA-N 2 0 247.342 1.147 20 0 BDADRP [NH3+]CCc1ccc(-c2cnn(C3C[NH2+]C3)c2)cc1 ZINC001241615421 982851086 /nfs/dbraw/zinc/85/10/86/982851086.db2.gz RFGSEGBKZHSKGE-UHFFFAOYSA-N 2 0 242.326 1.196 20 0 BDADRP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC001205905219 983131652 /nfs/dbraw/zinc/13/16/52/983131652.db2.gz ZJNWWDAJWTXZHG-GXTWGEPZSA-N 3 0 239.407 1.435 20 0 BDADRP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC001205905220 983133626 /nfs/dbraw/zinc/13/36/26/983133626.db2.gz ZJNWWDAJWTXZHG-JSGCOSHPSA-N 3 0 239.407 1.435 20 0 BDADRP Cn1cc[nH+]c1Nc1ccc(C[NH3+])cc1 ZINC000082639201 983133969 /nfs/dbraw/zinc/13/39/69/983133969.db2.gz PUAAARJNDPCKOV-UHFFFAOYSA-N 2 0 202.261 1.622 20 0 BDADRP CC[C@H](CNc1nccnc1C[NH3+])[NH+]1CCCC1 ZINC001354070097 983137144 /nfs/dbraw/zinc/13/71/44/983137144.db2.gz KKJWIXWNCOTRRI-LLVKDONJSA-N 2 0 249.362 1.222 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC001354232821 983213757 /nfs/dbraw/zinc/21/37/57/983213757.db2.gz BZLPDUDJJCPXHK-ZDEQEGDKSA-N 2 0 237.391 1.363 20 0 BDADRP CC[NH+](CC)CC[C@H](C)Nc1cc[nH+]c(N)n1 ZINC001354495184 983315135 /nfs/dbraw/zinc/31/51/35/983315135.db2.gz FVIGVCVJBGGQGG-JTQLQIEISA-N 2 0 237.351 1.591 20 0 BDADRP [NH3+][C@@H](CC(=O)Nc1cccc2c1C[NH2+]C2)C1CC1 ZINC001354661167 983339390 /nfs/dbraw/zinc/33/93/90/983339390.db2.gz SUNHOCYZUQQUSU-LBPRGKRZSA-N 2 0 245.326 1.356 20 0 BDADRP CC(C)CC[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001201623937 983381439 /nfs/dbraw/zinc/38/14/39/983381439.db2.gz GGYBOAJYUCXYPJ-UHFFFAOYSA-N 2 0 227.396 1.212 20 0 BDADRP CC1(C)C[NH2+]C[C@@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC001356049440 983565098 /nfs/dbraw/zinc/56/50/98/983565098.db2.gz IPYZEAWSCAPGCN-MCIGGMRASA-N 3 0 225.380 1.092 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001357457913 983719064 /nfs/dbraw/zinc/71/90/64/983719064.db2.gz PYVXAUXAJJFLPG-GRYCIOLGSA-N 2 0 241.379 1.136 20 0 BDADRP C[NH2+]C[C@@H](C)NC(=O)[C@@H]([NH3+])C1CCCCCC1 ZINC001357888590 983801761 /nfs/dbraw/zinc/80/17/61/983801761.db2.gz FEGCRLLCJXESGH-PWSUYJOCSA-N 2 0 241.379 1.008 20 0 BDADRP COCC1(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000691832286 983815297 /nfs/dbraw/zinc/81/52/97/983815297.db2.gz WTFRCFIYIFKXAN-GHMZBOCLSA-N 2 0 224.348 1.273 20 0 BDADRP [NH3+]C1(CC(=O)Nc2cccc3c2C[NH2+]C3)CC1 ZINC001358060357 983821550 /nfs/dbraw/zinc/82/15/50/983821550.db2.gz WIDKMDYTHDNZNR-UHFFFAOYSA-N 2 0 231.299 1.110 20 0 BDADRP C([C@@H]1CC[NH2+]C1)[N@@H+]1CCCC[C@]12CCOC2 ZINC001574799655 984116975 /nfs/dbraw/zinc/11/69/75/984116975.db2.gz FHXHCMHTUDSGER-CHWSQXEVSA-N 2 0 224.348 1.241 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]CC(C)(C)F ZINC001575932896 984137789 /nfs/dbraw/zinc/13/77/89/984137789.db2.gz BUAGHOUHXLQFJE-ZJUUUORDSA-N 2 0 202.317 1.855 20 0 BDADRP C[C@H](Cc1ccsc1)[N@H+](C)C[C@@H](O)CC[NH3+] ZINC001576064991 984143223 /nfs/dbraw/zinc/14/32/23/984143223.db2.gz ABIWLTZTADTGCW-PWSUYJOCSA-N 2 0 242.388 1.321 20 0 BDADRP C[C@H](O)[C@H](C)[N@@H+]1C[C@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001576261775 984157601 /nfs/dbraw/zinc/15/76/01/984157601.db2.gz AXDLPMVBRMZZNJ-WUHRBBMRSA-N 2 0 226.364 1.207 20 0 BDADRP C[C@H]1CCC[C@@H]([NH2+]C[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC001576680965 984179619 /nfs/dbraw/zinc/17/96/19/984179619.db2.gz XMSPSHMOLRLYLI-UMSGYPCISA-N 2 0 226.364 1.125 20 0 BDADRP CCC[C@H](CCO)[NH2+]CC(C)(C)C[NH3+] ZINC001577358162 984193843 /nfs/dbraw/zinc/19/38/43/984193843.db2.gz RVVYESONVSKWFT-SNVBAGLBSA-N 2 0 202.342 1.112 20 0 BDADRP CCCCC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC001253551553 984203799 /nfs/dbraw/zinc/20/37/99/984203799.db2.gz PJFPQUHRJNSLEX-UONOGXRCSA-N 2 0 242.407 1.859 20 0 BDADRP CCO[C@@]1(C)C[C@H]1N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001578160956 984204929 /nfs/dbraw/zinc/20/49/29/984204929.db2.gz FVBIFUHSPIEZBB-KXNHARMFSA-N 2 0 212.337 1.284 20 0 BDADRP C[N@@H+]1CCCC[C@H]1CN[C@H]1CC[NH2+]C12CCC2 ZINC001578528757 984217233 /nfs/dbraw/zinc/21/72/33/984217233.db2.gz KZKWWBDBEXAYQQ-STQMWFEESA-N 2 0 237.391 1.345 20 0 BDADRP CO[C@]1(C)CCC[N@H+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC001578924961 984232501 /nfs/dbraw/zinc/23/25/01/984232501.db2.gz WGJODFXKBNNELH-ZIAGYGMSSA-N 2 0 240.391 1.877 20 0 BDADRP COCC[C@@H]([NH3+])C[NH2+][C@@H]1C[C@H]1CC(C)C ZINC001579004108 984244662 /nfs/dbraw/zinc/24/46/62/984244662.db2.gz PQWVSBLYXYMJPM-IJLUTSLNSA-N 2 0 214.353 1.374 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+]C[C@H](O)Cc1ccccc1)C2 ZINC001580164407 984409370 /nfs/dbraw/zinc/40/93/70/984409370.db2.gz IEEOADJWSLWGDQ-PIOWNMBXSA-N 2 0 246.354 1.059 20 0 BDADRP Cc1n[nH]c(C)c1C[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000718338337 984437839 /nfs/dbraw/zinc/43/78/39/984437839.db2.gz JASIXRQMFIHDMC-SECBINFHSA-N 2 0 236.363 1.504 20 0 BDADRP CC[NH+]1CCC2(C[NH+](Cc3cn[nH]c3)C2)CC1 ZINC001275085003 984477694 /nfs/dbraw/zinc/47/76/94/984477694.db2.gz LCWNGASDCPWGOR-UHFFFAOYSA-N 2 0 234.347 1.327 20 0 BDADRP CC(C)CC[NH+]1CC2(CCN2CC[NH+](C)C)C1 ZINC001275103247 984488121 /nfs/dbraw/zinc/48/81/21/984488121.db2.gz YTSMIXAZBMXGFD-UHFFFAOYSA-N 2 0 239.407 1.354 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+]CCc2cnoc2)CC1 ZINC000718827378 984547340 /nfs/dbraw/zinc/54/73/40/984547340.db2.gz OZOYLFYVZFILCM-GFCCVEGCSA-N 2 0 223.320 1.291 20 0 BDADRP Cc1cc(C2=CC[NH2+]C2)nc2c1C[NH2+]CC2 ZINC001243107950 984554366 /nfs/dbraw/zinc/55/43/66/984554366.db2.gz JBCLQHXAOGHOFZ-UHFFFAOYSA-N 2 0 215.300 1.022 20 0 BDADRP CC(C)C[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001275459484 984569131 /nfs/dbraw/zinc/56/91/31/984569131.db2.gz QGAHRCZVJNIARG-LBPRGKRZSA-N 2 0 243.395 1.077 20 0 BDADRP CC(C)([NH3+])c1ccccc1C1=CC[NH2+]C1 ZINC001243112087 984582901 /nfs/dbraw/zinc/58/29/01/984582901.db2.gz QVWDKOFPMIOJSZ-UHFFFAOYSA-N 2 0 202.301 1.867 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N[C@@H](C)C1C[NH2+]C1 ZINC001577687894 984642113 /nfs/dbraw/zinc/64/21/13/984642113.db2.gz UZAQQMQNWUCZBT-NEPJUHHUSA-N 2 0 227.396 1.304 20 0 BDADRP CC[NH+]1CCC(C[NH2+]CCC[S@@](C)=O)CC1 ZINC001308950876 984642960 /nfs/dbraw/zinc/64/29/60/984642960.db2.gz MZYSYNYMXYMHOW-MRXNPFEDSA-N 2 0 246.420 1.077 20 0 BDADRP CC[N@H+](CCC(=O)OC)C[C@@H]1CCCC[NH2+]C1 ZINC001577710930 984648975 /nfs/dbraw/zinc/64/89/75/984648975.db2.gz JFBNPJQLHAGNDK-GFCCVEGCSA-N 2 0 242.363 1.261 20 0 BDADRP CCN(Cc1cccc(N(C)C)n1)[C@@H]1CC[NH2+]C1 ZINC001577738272 984695958 /nfs/dbraw/zinc/69/59/58/984695958.db2.gz QKWVZFDYCCOXFA-CYBMUJFWSA-N 2 0 248.374 1.331 20 0 BDADRP C[N@H+]1CC[C@H]2C[NH+](Cc3ncc[nH]3)C[C@H]2CC1 ZINC001275842505 984697886 /nfs/dbraw/zinc/69/78/86/984697886.db2.gz JFHXKJMTLSBQFT-TXEJJXNPSA-N 2 0 234.347 1.183 20 0 BDADRP CC[NH+]1CCC(CN2CC3(C2)CC[NH2+]C3)CC1 ZINC001577764195 984722483 /nfs/dbraw/zinc/72/24/83/984722483.db2.gz UBUFIWLGGKWHHE-UHFFFAOYSA-N 2 0 237.391 1.014 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H]2C[C@H](C[NH3+])C2)CC1 ZINC001577764271 984728177 /nfs/dbraw/zinc/72/81/77/984728177.db2.gz WJBBFFGHMWGMLA-JOCQHMNTSA-N 3 0 225.380 1.045 20 0 BDADRP C[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000380153751 984734074 /nfs/dbraw/zinc/73/40/74/984734074.db2.gz JCZANIQBYKQHIO-KGLIPLIRSA-N 2 0 240.391 1.565 20 0 BDADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC(C)(C)[NH3+] ZINC001577770149 984746929 /nfs/dbraw/zinc/74/69/29/984746929.db2.gz APHZKYSDULZAKS-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP CC[N@@H+]1CCC[C@@H](N[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC001577771332 984781363 /nfs/dbraw/zinc/78/13/63/984781363.db2.gz VBBATKGBFJJYJQ-GHMZBOCLSA-N 2 0 247.333 1.058 20 0 BDADRP CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]CC1(C[NH3+])CCC1 ZINC001577908433 984814957 /nfs/dbraw/zinc/81/49/57/984814957.db2.gz IVEATRGMRUTVPU-WDEREUQCSA-N 2 0 242.363 1.293 20 0 BDADRP CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC001577908368 984819376 /nfs/dbraw/zinc/81/93/76/984819376.db2.gz HEIIOKWFWGQJNU-YTWAJWBKSA-N 2 0 242.363 1.290 20 0 BDADRP CCOC(=O)[C@H](C)[C@H](C)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001577908614 984819938 /nfs/dbraw/zinc/81/99/38/984819938.db2.gz NEYZWUNABKUBLC-WISYIIOYSA-N 2 0 242.363 1.304 20 0 BDADRP CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC001577908366 984820020 /nfs/dbraw/zinc/82/00/20/984820020.db2.gz HEIIOKWFWGQJNU-RCWTZXSCSA-N 2 0 242.363 1.290 20 0 BDADRP CCOC(OCC)[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC001578075736 984838249 /nfs/dbraw/zinc/83/82/49/984838249.db2.gz QRRDJICTUSLDCY-GARJFASQSA-N 2 0 244.379 1.489 20 0 BDADRP CCOC(OCC)[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC001578075734 984840010 /nfs/dbraw/zinc/84/00/10/984840010.db2.gz QRRDJICTUSLDCY-AXFHLTTASA-N 2 0 244.379 1.489 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]C(C)(C)C[NH3+])[C@H]1SC ZINC001578093779 984846488 /nfs/dbraw/zinc/84/64/88/984846488.db2.gz JWPBSLFXRLPYHL-OPRDCNLKSA-N 2 0 232.393 1.222 20 0 BDADRP CCOC1CCC([NH2+][C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001578097743 984847807 /nfs/dbraw/zinc/84/78/07/984847807.db2.gz ITJMPHXMRPBLEQ-CIWCUSHGSA-N 2 0 212.337 1.413 20 0 BDADRP CCO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC001578161684 984863216 /nfs/dbraw/zinc/86/32/16/984863216.db2.gz VPODMTYEUZXGNH-UTUOFQBUSA-N 2 0 212.337 1.286 20 0 BDADRP CCO[C@@]1(C)C[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC001578160896 984864150 /nfs/dbraw/zinc/86/41/50/984864150.db2.gz FBWGRALUOPBJPW-NEPJUHHUSA-N 2 0 212.337 1.143 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+]C[C@H](C[NH3+])C(C)C)C1 ZINC001578161853 984864224 /nfs/dbraw/zinc/86/42/24/984864224.db2.gz ZHEAATIOQCAZPE-SDDRHHMPSA-N 2 0 214.353 1.374 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+]CC2(C[NH3+])CCC2)C1 ZINC001578161828 984865225 /nfs/dbraw/zinc/86/52/25/984865225.db2.gz XPEZCRMXDBAIHR-PHIMTYICSA-N 2 0 212.337 1.273 20 0 BDADRP CCC[C@H](CC)[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001257266376 984866114 /nfs/dbraw/zinc/86/61/14/984866114.db2.gz OBSISJYIKDOWHM-AWEZNQCLSA-N 2 0 241.423 1.744 20 0 BDADRP CCc1cn(CCC2CC[NH2+]CC2)cn1 ZINC001578283158 984922590 /nfs/dbraw/zinc/92/25/90/984922590.db2.gz ZKFBEEZQWVBPPU-UHFFFAOYSA-N 2 0 207.321 1.835 20 0 BDADRP C[C@@H](O)CC[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000691913212 984939372 /nfs/dbraw/zinc/93/93/72/984939372.db2.gz UYYRYANYAUXMQB-CYBMUJFWSA-N 2 0 240.391 1.565 20 0 BDADRP C[NH+](C)C1(CNCC2(C[NH3+])CCC2)CCC1 ZINC001578409585 985044105 /nfs/dbraw/zinc/04/41/05/985044105.db2.gz ZCVRMITXIYSEDP-UHFFFAOYSA-N 2 0 225.380 1.189 20 0 BDADRP CN(CC(C)(C)C[NH+](C)C)CC12CC(C1)C[NH2+]2 ZINC001578413570 985049289 /nfs/dbraw/zinc/04/92/89/985049289.db2.gz PTFPMVVDPJEKHM-UHFFFAOYSA-N 2 0 239.407 1.258 20 0 BDADRP C[N@H+](C[C@@]1(C)CC[NH2+]C1)[C@@H]1CCCC[C@H]1O ZINC001578445670 985078345 /nfs/dbraw/zinc/07/83/45/985078345.db2.gz SCYAIONXHBTXQN-UPJWGTAASA-N 2 0 226.364 1.221 20 0 BDADRP C[N@@H+](C[C@H]1CCC[C@@H]1O)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578453282 985088389 /nfs/dbraw/zinc/08/83/89/985088389.db2.gz ZOBTWFTWCVSKHD-LOWDOPEQSA-N 2 0 226.364 1.207 20 0 BDADRP Cn1ncc(C[NH3+])c1C[N@H+](C)C[C@H]1CC1(C)C ZINC001578486383 985111565 /nfs/dbraw/zinc/11/15/65/985111565.db2.gz OPYGJXIMMYAXQP-LLVKDONJSA-N 2 0 236.363 1.357 20 0 BDADRP C[N@H+](C[C@H]1COC(C)(C)O1)CC(C)(C)C[NH3+] ZINC001578486297 985114413 /nfs/dbraw/zinc/11/44/13/985114413.db2.gz KVFZEDHERJLNNJ-JTQLQIEISA-N 2 0 230.352 1.055 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@@H]2C1 ZINC001578520348 985133479 /nfs/dbraw/zinc/13/34/79/985133479.db2.gz ANHBHSXNTZAVFA-OFCMCXEBSA-N 2 0 249.402 1.199 20 0 BDADRP CN1CC[C@H]1C[NH2+]C[C@H]([NH3+])CCC(C)(C)C ZINC001578526062 985152328 /nfs/dbraw/zinc/15/23/28/985152328.db2.gz YMZOVWOAICALTI-NEPJUHHUSA-N 2 0 227.396 1.434 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CN[C@@H](C[NH3+])C1CCCC1 ZINC001578530733 985162328 /nfs/dbraw/zinc/16/23/28/985162328.db2.gz NIIVMKPZFZPNFM-OLZOCXBDSA-N 2 0 225.380 1.188 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CN[C@H](C[NH3+])C1CCCC1 ZINC001578530732 985165418 /nfs/dbraw/zinc/16/54/18/985165418.db2.gz NIIVMKPZFZPNFM-CHWSQXEVSA-N 2 0 225.380 1.188 20 0 BDADRP C[N@@H+]1CC[C@@H]2CN(Cc3cccc(C[NH3+])c3)C[C@@H]21 ZINC001578541252 985177309 /nfs/dbraw/zinc/17/73/09/985177309.db2.gz YBFCRBSNTXWXHR-CABCVRRESA-N 2 0 245.370 1.281 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+]Cc1ccc(COC)cc1 ZINC001578571215 985210676 /nfs/dbraw/zinc/21/06/76/985210676.db2.gz LCMAKWHSHULMMX-GFCCVEGCSA-N 2 0 236.359 1.921 20 0 BDADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC001578622343 985234271 /nfs/dbraw/zinc/23/42/71/985234271.db2.gz SCGWUHOIHVAJQI-DGCLKSJQSA-N 2 0 228.380 1.325 20 0 BDADRP C[NH2+]C[C@@H](O)C[NH2+][C@@H](C)C1CCCCCC1 ZINC001578654269 985271091 /nfs/dbraw/zinc/27/10/91/985271091.db2.gz LQQPSQAXBGGZSE-WCQYABFASA-N 2 0 228.380 1.515 20 0 BDADRP C[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001578654627 985273050 /nfs/dbraw/zinc/27/30/50/985273050.db2.gz VEDHULSKGOUROR-IHRRRGAJSA-N 2 0 238.375 1.077 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@]2(C)CCCCO2)C1 ZINC001578657302 985278028 /nfs/dbraw/zinc/27/80/28/985278028.db2.gz UVANSRMGNNFYOJ-UONOGXRCSA-N 2 0 240.391 1.877 20 0 BDADRP C[NH2+]CC1CC[NH+](Cc2ncccc2F)CC1 ZINC001578663538 985281319 /nfs/dbraw/zinc/28/13/19/985281319.db2.gz DOGHOFRMBCJIHC-UHFFFAOYSA-N 2 0 237.322 1.652 20 0 BDADRP [NH3+]CCCc1nccn1C1CCC2(COC2)CC1 ZINC001257904818 985305203 /nfs/dbraw/zinc/30/52/03/985305203.db2.gz NLRVLJSEJSBFPR-UHFFFAOYSA-N 2 0 249.358 1.906 20 0 BDADRP CO[C@@](C)(CN1CC[C@H]2C[NH2+]C[C@H]21)C1CC1 ZINC001578897980 985471245 /nfs/dbraw/zinc/47/12/45/985471245.db2.gz PEXJDQHEWORIRE-UHTWSYAYSA-N 2 0 224.348 1.095 20 0 BDADRP C[C@H]1COC[C@@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000688026150 985501099 /nfs/dbraw/zinc/50/10/99/985501099.db2.gz UHCYQBWLRGKUTH-AAEUAGOBSA-N 2 0 240.391 1.874 20 0 BDADRP CO[C@H](C[NH2+][C@H](C)[C@@H](C)[NH3+])CC(C)C ZINC001578912317 985518366 /nfs/dbraw/zinc/51/83/66/985518366.db2.gz CGPMABCMAHIINM-MXWKQRLJSA-N 2 0 202.342 1.373 20 0 BDADRP C[C@@H]1COC[C@H]1[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000688046311 985525822 /nfs/dbraw/zinc/52/58/22/985525822.db2.gz BEPMYGLSYCJRJD-NQBHXWOUSA-N 2 0 224.348 1.095 20 0 BDADRP CO[C@@H]1CC[C@H]([N@@H+]2C[C@H]3C[NH2+]C[C@@]3(C)C2)C1 ZINC001578937118 985545939 /nfs/dbraw/zinc/54/59/39/985545939.db2.gz GTDZWKICPIPCGZ-XQHKEYJVSA-N 2 0 224.348 1.095 20 0 BDADRP C(=C/C1CC[NH2+]CC1)\c1cc2c(nn1)CC[NH2+]C2 ZINC001243892180 985552526 /nfs/dbraw/zinc/55/25/26/985552526.db2.gz HKXYEVUIAJLUPS-OWOJBTEDSA-N 2 0 244.342 1.135 20 0 BDADRP COC1CCC([NH2+]CC2([NH3+])CCC2)CC1 ZINC001578938197 985553582 /nfs/dbraw/zinc/55/35/82/985553582.db2.gz PDGXPYYZPTZLEI-UHFFFAOYSA-N 2 0 212.337 1.415 20 0 BDADRP Cc1cnc(/C=C/C2CC[NH2+]CC2)c(C[NH3+])c1 ZINC001243893951 985571400 /nfs/dbraw/zinc/57/14/00/985571400.db2.gz WZENYWCOKLUESQ-NSCUHMNNSA-N 2 0 231.343 1.862 20 0 BDADRP COC[C@H](C[NH2+]C1CC2(C[C@@H]2[NH3+])C1)C(C)C ZINC001578961375 985585751 /nfs/dbraw/zinc/58/57/51/985585751.db2.gz IZIGYNIQIWEGBV-QCXCNERSSA-N 2 0 226.364 1.374 20 0 BDADRP COCC[C@H](C)[NH2+]CCC1(C[NH3+])CC1 ZINC001578994597 985622155 /nfs/dbraw/zinc/62/21/55/985622155.db2.gz IROZGZVYFLTNKU-JTQLQIEISA-N 2 0 200.326 1.130 20 0 BDADRP c1cc(C2=C[NH2+]CCC2)ncc1N1CC[NH2+]CC1 ZINC001243948684 985627516 /nfs/dbraw/zinc/62/75/16/985627516.db2.gz DCBZIYFNHWTPLZ-UHFFFAOYSA-N 2 0 244.342 1.216 20 0 BDADRP c1cc(N2CC[NH2+]CC2)ncc1C1=C[NH2+]CCC1 ZINC001243952690 985663607 /nfs/dbraw/zinc/66/36/07/985663607.db2.gz NQXIVLMLCJCQKF-UHFFFAOYSA-N 2 0 244.342 1.216 20 0 BDADRP C[C@H]([NH3+])c1ccc(C2=C[NH2+]CCC2)cn1 ZINC001243953878 985665074 /nfs/dbraw/zinc/66/50/74/985665074.db2.gz NYKGIGGWTYOMDG-VIFPVBQESA-N 2 0 203.289 1.826 20 0 BDADRP CO[C@@H]1C[NH2+]C[C@H]1N[C@@H](C)C1CCCC1 ZINC001579123819 985741353 /nfs/dbraw/zinc/74/13/53/985741353.db2.gz UFFKNGDTVGPHJR-MVWJERBFSA-N 2 0 212.337 1.142 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC001579113999 985746384 /nfs/dbraw/zinc/74/63/84/985746384.db2.gz DOUSMRQPLMCCJN-IRCOFANPSA-N 2 0 212.337 1.271 20 0 BDADRP C[S@](=O)[C@@H]1CC[C@H]([NH2+]C2CC(CC[NH3+])C2)C1 ZINC001579354683 985854772 /nfs/dbraw/zinc/85/47/72/985854772.db2.gz FLIBYJNEAYUABJ-CPQRFJPVSA-N 2 0 244.404 1.003 20 0 BDADRP CSc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])C2)cc1 ZINC001579388429 985868759 /nfs/dbraw/zinc/86/87/59/985868759.db2.gz VCLVVDDBXGQSAN-PHIMTYICSA-N 2 0 222.357 1.988 20 0 BDADRP CC[C@@H]1C[C@H]1C[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001460865462 985919400 /nfs/dbraw/zinc/91/94/00/985919400.db2.gz WHDQBIVEYWFFQR-RQJABVFESA-N 2 0 222.376 1.916 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccc(=O)[nH]c2)C[C@H]1CC[NH3+] ZINC001579440486 985930786 /nfs/dbraw/zinc/93/07/86/985930786.db2.gz CUZWUOSJGMFKDU-ZYHUDNBSSA-N 2 0 235.331 1.204 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)[C@@H](CO)C(C)(C)C ZINC001579454503 985941844 /nfs/dbraw/zinc/94/18/44/985941844.db2.gz HSIOMQXYYWYYHI-WOPDTQHZSA-N 2 0 228.380 1.181 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(C2(O)CC2)CC1 ZINC001579454422 985942930 /nfs/dbraw/zinc/94/29/30/985942930.db2.gz AYPPHUMSWSKPAL-NEPJUHHUSA-N 2 0 238.375 1.079 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC001579454660 985945215 /nfs/dbraw/zinc/94/52/15/985945215.db2.gz TVIOAQQXCCMHBY-XJFOESAGSA-N 2 0 238.375 1.485 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC001579454720 985949549 /nfs/dbraw/zinc/94/95/49/985949549.db2.gz XXSNCHCGNXSUJC-MQYQWHSLSA-N 2 0 238.375 1.200 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)CCO1 ZINC001579470869 985973608 /nfs/dbraw/zinc/97/36/08/985973608.db2.gz KVAVJNHNBUCSTA-XQHKEYJVSA-N 2 0 224.348 1.367 20 0 BDADRP C[C@@H](Cc1cccnc1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC001258612776 985985954 /nfs/dbraw/zinc/98/59/54/985985954.db2.gz FYMRKYYJFLMOEI-ZFWWWQNUSA-N 2 0 247.386 1.944 20 0 BDADRP C[C@H]([NH3+])CC(=O)Nc1ccc2c[nH+]cn2c1 ZINC001579479444 985999412 /nfs/dbraw/zinc/99/94/12/985999412.db2.gz RGXPHLDXGSFTPN-QMMMGPOBSA-N 2 0 218.260 1.010 20 0 BDADRP C[C@H](O)CN[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC001579484779 986007515 /nfs/dbraw/zinc/00/75/15/986007515.db2.gz LEWQZEHSJJQXFE-IACUBPJLSA-N 2 0 234.343 1.103 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@]23C[C@H]2C[NH2+]C3)C[C@H](C)O1 ZINC001579490522 986014447 /nfs/dbraw/zinc/01/44/47/986014447.db2.gz SVCLUZFJNGMQQN-MROQNXINSA-N 2 0 224.348 1.095 20 0 BDADRP C[C@H]1[NH2+]CC[C@@H]1[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC001579504953 986044096 /nfs/dbraw/zinc/04/40/96/986044096.db2.gz ACYRLRVHXHFROW-LZRJYULZSA-N 2 0 236.359 1.140 20 0 BDADRP C[C@H]1[NH2+]CC[C@@H]1NC1CC[NH+](CC2CC2)CC1 ZINC001579505247 986049352 /nfs/dbraw/zinc/04/93/52/986049352.db2.gz RQKRBSFKPSBCRC-RISCZKNCSA-N 2 0 237.391 1.201 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)CC(C)C)[C@H](C)C1 ZINC000305135520 986078161 /nfs/dbraw/zinc/07/81/61/986078161.db2.gz OJWDJLQDNIQFOR-RDBSUJKOSA-N 2 0 242.407 1.713 20 0 BDADRP Cc1cc(C[NH2+]C2CC3(CC([NH3+])C3)C2)[nH]n1 ZINC001579600814 986115957 /nfs/dbraw/zinc/11/59/57/986115957.db2.gz ATMQMHTUGUBZRU-UHFFFAOYSA-N 2 0 220.320 1.078 20 0 BDADRP Cc1ccc(C[C@@H](C)[NH2+]C[C@@]2(O)CC[NH2+]C2)cc1 ZINC001579684736 986178820 /nfs/dbraw/zinc/17/88/20/986178820.db2.gz QVSKFKBDVYEDMW-UKRRQHHQSA-N 2 0 248.370 1.240 20 0 BDADRP Cc1ccc(C[NH2+]C[C@H]2CC[C@@H]([NH3+])C2)nn1 ZINC001579696927 986193191 /nfs/dbraw/zinc/19/31/91/986193191.db2.gz NERHYPYJUUVZIG-WDEREUQCSA-N 2 0 220.320 1.002 20 0 BDADRP Cc1cccc([C@H](C)[NH2+]CCOCC[NH3+])c1 ZINC001579777285 986220285 /nfs/dbraw/zinc/22/02/85/986220285.db2.gz YKPHJQXLZPJKPC-LBPRGKRZSA-N 2 0 222.332 1.621 20 0 BDADRP Cc1nc(C[NH2+]C[C@H]2CC[C@@H]([NH3+])C2)[nH]c1C ZINC001579858522 986274360 /nfs/dbraw/zinc/27/43/60/986274360.db2.gz CFANDLZGUXJNHD-WDEREUQCSA-N 2 0 222.336 1.244 20 0 BDADRP C[N@H+]1C[C@@H]2C[NH+](C[C@]3(C)CCCCO3)C[C@@H]2C1 ZINC001462170542 986300597 /nfs/dbraw/zinc/30/05/97/986300597.db2.gz KKRVRYAYERQCMB-MJBXVCDLSA-N 2 0 238.375 1.439 20 0 BDADRP Cc1nnc([C@H](C)[NH2+]C2CC3(C[C@H]3[NH3+])C2)s1 ZINC001579897035 986314250 /nfs/dbraw/zinc/31/42/50/986314250.db2.gz KVBNPHCYCSNJFG-FRJYUPQVSA-N 2 0 238.360 1.377 20 0 BDADRP CC[NH+]1CCC(C[NH2+]C[C@H](O)C2CCC2)CC1 ZINC001462350893 986360840 /nfs/dbraw/zinc/36/08/40/986360840.db2.gz ZLVRAZSPEINZCR-AWEZNQCLSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@@H](Cc1ccno1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001462383042 986368399 /nfs/dbraw/zinc/36/83/99/986368399.db2.gz LYHUJKMXRWRUFT-SDDRHHMPSA-N 2 0 237.347 1.535 20 0 BDADRP Cn1cc([C@@H]2C[C@H]2C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cn1 ZINC001579969418 986368507 /nfs/dbraw/zinc/36/85/07/986368507.db2.gz IZRDOEREVLDMIL-IGHBBLSQSA-N 2 0 248.374 1.383 20 0 BDADRP CO[C@H](C)C[N@@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001462656295 986490269 /nfs/dbraw/zinc/49/02/69/986490269.db2.gz WJZPPWVSAYOUQX-ZOBORPQBSA-N 2 0 240.391 1.683 20 0 BDADRP CCN1CCC[C@H]([NH2+]CC[C@@H](O)C2CC2)C1 ZINC001462663397 986493914 /nfs/dbraw/zinc/49/39/14/986493914.db2.gz RVRVNDJQNNSUIM-QWHCGFSZSA-N 2 0 226.364 1.221 20 0 BDADRP Cc1cccc(CC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)n1 ZINC000689406951 986582254 /nfs/dbraw/zinc/58/22/54/986582254.db2.gz USFSBCWRSFRWDN-KBPBESRZSA-N 2 0 245.370 1.792 20 0 BDADRP C[C@@]1(C[NH+]2CCC(F)CC2)CCC[NH2+]C1 ZINC000689434336 986605125 /nfs/dbraw/zinc/60/51/25/986605125.db2.gz CCKILVZEBMXOSI-GFCCVEGCSA-N 2 0 214.328 1.810 20 0 BDADRP [NH3+]C1(C[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)CCOCC1 ZINC001580152286 986623707 /nfs/dbraw/zinc/62/37/07/986623707.db2.gz CYBSURSYJPVFFE-SDDRHHMPSA-N 2 0 224.348 1.273 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+]CC[C@@H](O)C1CCCC1)C2 ZINC001580164814 986636485 /nfs/dbraw/zinc/63/64/85/986636485.db2.gz JWIUTWNQWPIQCH-CEUNDQEZSA-N 2 0 238.375 1.397 20 0 BDADRP [NH3+][C@H]1CC12CC([NH2+][C@H](CO)C1CCCC1)C2 ZINC001580163349 986637333 /nfs/dbraw/zinc/63/73/33/986637333.db2.gz AAJPACQNRHKTQF-QBHFIFKDSA-N 2 0 224.348 1.007 20 0 BDADRP [NH3+]C1CC2(C1)CC([NH2+][C@H]1CCSC1)C2 ZINC001580166601 986642007 /nfs/dbraw/zinc/64/20/07/986642007.db2.gz SHISHIMDAHZWBQ-ZQOALKFFSA-N 2 0 212.362 1.351 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+]C[C@@H]1C[C@H]3CCC[C@@H]3O1)C2 ZINC001580167312 986643071 /nfs/dbraw/zinc/64/30/71/986643071.db2.gz XYWQOWFOAZLCHP-AKZQGKDSSA-N 2 0 236.359 1.413 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+][C@H](c1ncccn1)C1CC1)C2 ZINC001580167227 986643202 /nfs/dbraw/zinc/64/32/02/986643202.db2.gz VWTGKGPFFTWEKV-BEVNXUHPSA-N 2 0 244.342 1.397 20 0 BDADRP C[NH+](C)C1CCN([C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254515988 986650097 /nfs/dbraw/zinc/65/00/97/986650097.db2.gz IHRDKAYNNPNJFK-AWEZNQCLSA-N 2 0 239.407 1.497 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH+]2CCC[C@](C)(O)CC2)CC1 ZINC001254515981 986652200 /nfs/dbraw/zinc/65/22/00/986652200.db2.gz IBCLIWQAMCFIQA-KGLIPLIRSA-N 2 0 240.391 1.708 20 0 BDADRP COCC1C[NH+]([C@H]2CCC[N@H+](C)CC2)C1 ZINC001254515881 986671712 /nfs/dbraw/zinc/67/17/12/986671712.db2.gz FXJWWBLVOSSFDZ-LBPRGKRZSA-N 2 0 212.337 1.049 20 0 BDADRP CC(C)O[C@@H]1CC[N@@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254530578 986675165 /nfs/dbraw/zinc/67/51/65/986675165.db2.gz YUJJXSHIRAHVNY-UONOGXRCSA-N 2 0 240.391 1.970 20 0 BDADRP [NH3+]C[C@@H]1CCCC[N@H+](C[C@H]2CCCO2)C1 ZINC000379995667 986692117 /nfs/dbraw/zinc/69/21/17/986692117.db2.gz IFPVFWCUCFCPEL-NWDGAFQWSA-N 2 0 212.337 1.226 20 0 BDADRP [NH3+]CC1(C[NH2+][C@@H]2C[C@H]2C(F)(F)F)CC1 ZINC001580243515 986694597 /nfs/dbraw/zinc/69/45/97/986694597.db2.gz JFZKGFNBAXGUGC-RNFRBKRXSA-N 2 0 208.227 1.266 20 0 BDADRP [NH3+]C[C@@]12CN(Cc3cc[nH]n3)C[C@@H]1CCCC2 ZINC001580256861 986707988 /nfs/dbraw/zinc/70/79/88/986707988.db2.gz YNXUMRXOQKKZPE-AAEUAGOBSA-N 2 0 234.347 1.361 20 0 BDADRP [NH3+]C[C@]12C[N@H+](CC3(O)CCC3)C[C@@H]1CCCC2 ZINC001580256242 986711809 /nfs/dbraw/zinc/71/18/09/986711809.db2.gz RUBJXMIZFPVOGP-QWHCGFSZSA-N 2 0 238.375 1.352 20 0 BDADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC001580334172 986777807 /nfs/dbraw/zinc/77/78/07/986777807.db2.gz XQHMTIJFQGEDBR-NWBUJAPZSA-N 2 0 236.359 1.271 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H](CCO)c2ccco2)C1 ZINC001580389938 986816522 /nfs/dbraw/zinc/81/65/22/986816522.db2.gz ZFTJOJFEFYQYGG-TUAOUCFPSA-N 2 0 238.331 1.420 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+]C2CC(C(F)F)C2)C1 ZINC001580389222 986817187 /nfs/dbraw/zinc/81/71/87/986817187.db2.gz DRDCMFDNFYYNGW-QGVKSAJWSA-N 2 0 218.291 1.747 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+][C@@H]2CCCSCC2)C1 ZINC001580423461 986842738 /nfs/dbraw/zinc/84/27/38/986842738.db2.gz ZVBSIZKSABESJT-BBBLOLIVSA-N 2 0 200.351 1.351 20 0 BDADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC001580427826 986844348 /nfs/dbraw/zinc/84/43/48/986844348.db2.gz TYBOKGCPORMSBF-VLJOUNFMSA-N 2 0 236.359 1.271 20 0 BDADRP [NH3+]Cc1ccnc(-c2ccncc2C[NH3+])c1 ZINC001245555427 986939732 /nfs/dbraw/zinc/93/97/32/986939732.db2.gz ICUOXXPHUQZAMU-UHFFFAOYSA-N 2 0 214.272 1.061 20 0 BDADRP C[N@@H+]1CC[C@H](N2C[C@@H](C[NH3+])c3ccccc32)C1 ZINC001255419587 986941845 /nfs/dbraw/zinc/94/18/45/986941845.db2.gz DFHPNADVDXCADO-NEPJUHHUSA-N 2 0 231.343 1.253 20 0 BDADRP CC(C)[N@H+](C)[C@H]1CCN([C@@H]2CC[NH+](C)C2)C1 ZINC001255441039 986961972 /nfs/dbraw/zinc/96/19/72/986961972.db2.gz KFUROTQXKMMROZ-QWHCGFSZSA-N 2 0 225.380 1.105 20 0 BDADRP C/C=C(\NC=[NH2+])c1ccc2c[nH+]cn2c1 ZINC001245895912 987111674 /nfs/dbraw/zinc/11/16/74/987111674.db2.gz JZQPBCMNBWTILG-FUQNDXKWSA-N 2 0 200.245 1.892 20 0 BDADRP [NH3+]Cc1ncc(-c2ccc3c[nH+]cn3c2)cn1 ZINC001245896397 987117787 /nfs/dbraw/zinc/11/77/87/987117787.db2.gz NNCUBSWUCAWNJU-UHFFFAOYSA-N 2 0 225.255 1.250 20 0 BDADRP [NH3+]CCc1cnn(C2CC[NH+](C3CC3)CC2)c1 ZINC001256069039 987125596 /nfs/dbraw/zinc/12/55/96/987125596.db2.gz OCSFLPUMDLYZFD-UHFFFAOYSA-N 2 0 234.347 1.184 20 0 BDADRP CCC[C@H](O)C[NH2+]C[C@H]1CCC[NH2+][C@H]1C ZINC001245981546 987256557 /nfs/dbraw/zinc/25/65/57/987256557.db2.gz HZPXYOZOVRYYHB-TUAOUCFPSA-N 2 0 214.353 1.125 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+]C[C@@H](O)c2ccccc2)C[NH2+]1 ZINC001245977613 987253451 /nfs/dbraw/zinc/25/34/51/987253451.db2.gz WVGLFKZNBLUKFI-UMVBOHGHSA-N 2 0 248.370 1.698 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+]C[C@H](O)C(C)(C)C)C[NH2+]1 ZINC001245977098 987254102 /nfs/dbraw/zinc/25/41/02/987254102.db2.gz VJGQFQYRULRUFH-UTUOFQBUSA-N 2 0 228.380 1.371 20 0 BDADRP CC[C@H](O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000692872969 987297828 /nfs/dbraw/zinc/29/78/28/987297828.db2.gz MTXQIQSTBQUFED-KGLIPLIRSA-N 2 0 240.391 1.469 20 0 BDADRP CC(C)(O)C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246020989 987302225 /nfs/dbraw/zinc/30/22/25/987302225.db2.gz KUCAJCJAEFRJTN-GFCCVEGCSA-N 2 0 214.353 1.208 20 0 BDADRP C[C@]1([NH3+])CCC[N@H+](C[C@H](O)c2ccccc2)CC1 ZINC001246022919 987313759 /nfs/dbraw/zinc/31/37/59/987313759.db2.gz QYFVLABNFKUADZ-GJZGRUSLSA-N 2 0 248.370 1.923 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](CCC2SCCS2)C1 ZINC000693776855 987314850 /nfs/dbraw/zinc/31/48/50/987314850.db2.gz KSGYPEGHWXIEOE-JTQLQIEISA-N 2 0 246.445 1.724 20 0 BDADRP C[C@H](CO)[C@@H]1CCCC[N@@H+]1CCCCCC[NH3+] ZINC000696789854 987343487 /nfs/dbraw/zinc/34/34/87/987343487.db2.gz RKQQAYCYMIBWAK-KGLIPLIRSA-N 2 0 242.407 1.988 20 0 BDADRP CCOC1CC[NH+](C[C@H]2CCCC[NH2+]C2)CC1 ZINC000697089091 987351992 /nfs/dbraw/zinc/35/19/92/987351992.db2.gz UUHPXBKTPIIDCO-ZDUSSCGKSA-N 2 0 240.391 1.877 20 0 BDADRP CNCC[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246073213 987359761 /nfs/dbraw/zinc/35/97/61/987359761.db2.gz RFAPUCQKFVWEQQ-UHFFFAOYSA-N 2 0 225.380 1.108 20 0 BDADRP CCCC[C@H]1C[C@@H](NCC[NH2+]C)CC[NH2+]1 ZINC001246073659 987359776 /nfs/dbraw/zinc/35/97/76/987359776.db2.gz XXNLMZKHHZSGNG-RYUDHWBXSA-N 2 0 213.369 1.106 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@](C)(O)c2ccccc2)CC[NH2+]1 ZINC001246073412 987359869 /nfs/dbraw/zinc/35/98/69/987359869.db2.gz VJCBJTSVLLBBTJ-BPLDGKMQSA-N 2 0 248.370 1.624 20 0 BDADRP C[NH2+]CC[C@H](C)N[C@@H](C[NH3+])c1ccccc1 ZINC001246075952 987363106 /nfs/dbraw/zinc/36/31/06/987363106.db2.gz MHHRVKHSUDUDFB-AAEUAGOBSA-N 2 0 221.348 1.274 20 0 BDADRP [NH3+]C[C@H](N[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC001246074264 987363946 /nfs/dbraw/zinc/36/39/46/987363946.db2.gz BXPIMKJKBVCRKJ-STQMWFEESA-N 2 0 219.332 1.028 20 0 BDADRP CC(C)(C)[C@H]1C[C@@H](NC2CC[NH2+]CC2)CC[NH2+]1 ZINC001246077996 987366931 /nfs/dbraw/zinc/36/69/31/987366931.db2.gz LXYWGQLYSNSYLR-QWHCGFSZSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@H]([NH2+][C@H]1CCO[C@H]1C)C1CC[NH2+]CC1 ZINC000400760107 987368227 /nfs/dbraw/zinc/36/82/27/987368227.db2.gz XXWCFBGTLKHSPY-NHCYSSNCSA-N 2 0 212.337 1.142 20 0 BDADRP CCOC(=O)[C@H]1CC[C@@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC001246077860 987369158 /nfs/dbraw/zinc/36/91/58/987369158.db2.gz LBWAGTBCVGGOER-CMPLNLGQSA-N 2 0 240.347 1.060 20 0 BDADRP C[C@@H]1C[C@@H](N[C@@H](C[NH3+])c2ccccc2)C[C@H](C)[NH2+]1 ZINC001246079547 987370736 /nfs/dbraw/zinc/37/07/36/987370736.db2.gz ZYEWZEJMPBLJJG-NEBZKDRISA-N 2 0 247.386 1.805 20 0 BDADRP CC(C)[C@H]1C[C@@H](NC2CC[NH2+]CC2)CC[NH2+]1 ZINC001246079479 987372843 /nfs/dbraw/zinc/37/28/43/987372843.db2.gz PVJKBOAFSRFKQC-QWHCGFSZSA-N 2 0 225.380 1.105 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)NC1CC[NH2+]CC1 ZINC001246082514 987376652 /nfs/dbraw/zinc/37/66/52/987376652.db2.gz WXHABNCAEZGPFB-GFCCVEGCSA-N 2 0 227.396 1.448 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C2(C)CCOCC2)CC[NH2+]1 ZINC001246088227 987388636 /nfs/dbraw/zinc/38/86/36/987388636.db2.gz SPUUQGMZBAXMQM-QWRGUYRKSA-N 2 0 212.337 1.286 20 0 BDADRP CC(C)OCC[C@@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246090121 987393717 /nfs/dbraw/zinc/39/37/17/987393717.db2.gz JATSFPWULMOYNW-CHWSQXEVSA-N 2 0 228.380 1.922 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CCCNC2)CCC[NH2+]CC1 ZINC001246093031 987401524 /nfs/dbraw/zinc/40/15/24/987401524.db2.gz GRCCZCBSMWTVKM-OLZOCXBDSA-N 2 0 225.380 1.108 20 0 BDADRP COC1CCC([NH2+]C[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246095578 987405350 /nfs/dbraw/zinc/40/53/50/987405350.db2.gz LGMOGJXLYYQXMD-MRFVTOPCSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+][C@H]2CCCOC2)C[NH2+]1 ZINC001246096882 987408590 /nfs/dbraw/zinc/40/85/90/987408590.db2.gz NGVXFUOHZUNREP-UTUOFQBUSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H]1CC[C@@H](CN[C@@H]2CC[NH2+][C@H](C)C2)C[NH2+]1 ZINC001246096839 987410200 /nfs/dbraw/zinc/41/02/00/987410200.db2.gz NAYSBABUHDRKKL-FDYHWXHSSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1CC[C@H](CN[C@@H]2CC[NH2+][C@@H](C)C2)C[NH2+]1 ZINC001246096843 987410349 /nfs/dbraw/zinc/41/03/49/987410349.db2.gz NAYSBABUHDRKKL-MROQNXINSA-N 2 0 225.380 1.105 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N[C@H]2C[NH2+]CC[C@H]2C)CC[NH2+]1 ZINC001246098772 987411794 /nfs/dbraw/zinc/41/17/94/987411794.db2.gz SPTMQABKVNIHCT-RFGFWPKPSA-N 2 0 239.407 1.351 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+][C@H]2CCOC(C)(C)C2)C[NH2+]1 ZINC001246102141 987422901 /nfs/dbraw/zinc/42/29/01/987422901.db2.gz WNTKZQITPPAUCK-UPJWGTAASA-N 2 0 240.391 1.922 20 0 BDADRP CCOCC[C@H](C)[NH2+]C[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246100974 987423219 /nfs/dbraw/zinc/42/32/19/987423219.db2.gz USHNNUGLDRRXHK-AVGNSLFASA-N 2 0 228.380 1.779 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@H]2CCOC(C)(C)C2)C[NH2+]1 ZINC001246102108 987424699 /nfs/dbraw/zinc/42/46/99/987424699.db2.gz WNTKZQITPPAUCK-AGIUHOORSA-N 2 0 240.391 1.922 20 0 BDADRP COC1CCC([NH2+]C[C@H]2C[NH2+]C[C@@H](C)C2)CC1 ZINC001246103754 987426628 /nfs/dbraw/zinc/42/66/28/987426628.db2.gz TVDCROSFLSQLDQ-MRFVTOPCSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+][C@@H]2COC(C)(C)C2)C[NH2+]1 ZINC001246104027 987428603 /nfs/dbraw/zinc/42/86/03/987428603.db2.gz ZOCLKUIIJNOBOH-UTUOFQBUSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@H]1[NH2+]CC[C@H]1N[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246103905 987429872 /nfs/dbraw/zinc/42/98/72/987429872.db2.gz YXWGHYKFPAYHHB-XQHKEYJVSA-N 2 0 239.407 1.493 20 0 BDADRP CC[C@@H]1C[C@@H](N[C@@H]2C[NH2+]CC[C@H]2C)CC[NH2+]1 ZINC001246103517 987430117 /nfs/dbraw/zinc/43/01/17/987430117.db2.gz WCMZDTFIHVIQDO-FVCCEPFGSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1CC[C@@H](NC[C@]2(F)CCCC[NH2+]C2)C[NH2+]1 ZINC001246105291 987433308 /nfs/dbraw/zinc/43/33/08/987433308.db2.gz BCJZKCLQWXUJAX-UPJWGTAASA-N 2 0 243.370 1.198 20 0 BDADRP C[C@H]1C[NH2+]C[C@@H](C[NH2+]C2C[C@@H]3C=C[C@H](C2)O3)C1 ZINC001246106320 987433993 /nfs/dbraw/zinc/43/39/93/987433993.db2.gz XBXGWNKMFNGMBC-YJBUHQLJSA-N 2 0 236.359 1.308 20 0 BDADRP C[C@H]1CC[C@@H]([NH2+]CCC2CC[NH2+]CC2)CN1 ZINC001246105513 987434467 /nfs/dbraw/zinc/43/44/67/987434467.db2.gz MQKYXCOQVLZMBU-WCQYABFASA-N 2 0 225.380 1.106 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCCSC1 ZINC001246109792 987440248 /nfs/dbraw/zinc/44/02/48/987440248.db2.gz HACDRABCEUFTDW-UTUOFQBUSA-N 2 0 228.405 1.717 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1C[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001246110353 987440915 /nfs/dbraw/zinc/44/09/15/987440915.db2.gz LKZXDNDVMGHFIY-WSOGJNRSSA-N 2 0 236.359 1.450 20 0 BDADRP C[C@H](Cc1ccncc1)NC[C@H]1CC[C@@H](C)C[NH2+]1 ZINC001246111244 987444508 /nfs/dbraw/zinc/44/45/08/987444508.db2.gz IOTYWSMDYGJSMG-UMVBOHGHSA-N 2 0 247.386 1.990 20 0 BDADRP C[C@@H]1C[C@@H](NC[C@@H]2C[NH2+]CC[C@H]2C)C[C@H](C)[NH2+]1 ZINC001246112118 987445985 /nfs/dbraw/zinc/44/59/85/987445985.db2.gz NBBYLIVMZKRPGO-PEBLQZBPSA-N 3 0 239.407 1.351 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[NH2+]CC[C@H]2C)CN1 ZINC001246113364 987448964 /nfs/dbraw/zinc/44/89/64/987448964.db2.gz SWFWNAUWNAXDKC-MQYQWHSLSA-N 2 0 239.407 1.352 20 0 BDADRP COC1CCC([NH2+]C[C@@H]2CC[C@@H](C)C[NH2+]2)CC1 ZINC001246113320 987450480 /nfs/dbraw/zinc/45/04/80/987450480.db2.gz NRQAJKNHTAAMKO-ZIHBUVQPSA-N 2 0 240.391 1.922 20 0 BDADRP CC[C@@H]1CC(N[C@@H]2CC[NH2+]C2)C[C@@H](CC)[NH2+]1 ZINC001246115921 987453217 /nfs/dbraw/zinc/45/32/17/987453217.db2.gz KTYFULUQXHWDBW-IJLUTSLNSA-N 2 0 225.380 1.247 20 0 BDADRP C[C@@H]1CC[C@@H](CN[C@H]2CCC[N@H+](C)CC2)[NH2+]C1 ZINC001246115629 987453916 /nfs/dbraw/zinc/45/39/16/987453916.db2.gz RRBZKYGNFZUMRG-RDBSUJKOSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]1C[C@H](NC[C@@H]2CCC[NH2+][C@@H]2C)CC[NH2+]1 ZINC001246114464 987455207 /nfs/dbraw/zinc/45/52/07/987455207.db2.gz WQOOWWMCIZZXSF-FVCCEPFGSA-N 2 0 225.380 1.105 20 0 BDADRP CC[C@@H]1C[C@@H](N[C@H]2CC[NH2+]C2)C[C@H](CC)[NH2+]1 ZINC001246115923 987456467 /nfs/dbraw/zinc/45/64/67/987456467.db2.gz KTYFULUQXHWDBW-RNJOBUHISA-N 2 0 225.380 1.247 20 0 BDADRP C[C@H]1C[NH2+]C[C@@H]1N[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246118076 987462635 /nfs/dbraw/zinc/46/26/35/987462635.db2.gz VJOOIJKFINVKAI-QNWHQSFQSA-N 2 0 239.407 1.351 20 0 BDADRP C[C@H]1C[NH2+]C[C@@H]1N[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246118051 987464605 /nfs/dbraw/zinc/46/46/05/987464605.db2.gz VJOOIJKFINVKAI-CYDGBPFRSA-N 2 0 239.407 1.351 20 0 BDADRP CCOC(=O)CC[C@H](C)N[C@H]1CCC[NH2+]C1 ZINC001246121290 987467695 /nfs/dbraw/zinc/46/76/95/987467695.db2.gz WGDZGJRACOPULO-QWRGUYRKSA-N 2 0 228.336 1.060 20 0 BDADRP C[C@H]1C[C@@H](NC[C@]23CCC[C@H]2C[NH2+]C3)CC[NH2+]1 ZINC001246127394 987470870 /nfs/dbraw/zinc/47/08/70/987470870.db2.gz KKIOMTJLYRLMAF-XDQVBPFNSA-N 2 0 237.391 1.106 20 0 BDADRP C[NH2+]CC[C@H](C)[NH2+]CC1CC2(C1)CC[NH2+]CC2 ZINC001246126495 987471096 /nfs/dbraw/zinc/47/10/96/987471096.db2.gz LPSJTWJYWUVMHZ-LBPRGKRZSA-N 3 0 239.407 1.354 20 0 BDADRP CC(C)(C)[C@H]1C[C@H](N[C@H]2C[NH2+]C[C@H]2F)CC[NH2+]1 ZINC001246126698 987472097 /nfs/dbraw/zinc/47/20/97/987472097.db2.gz NDVOHPMQRQUJOF-WISYIIOYSA-N 2 0 243.370 1.053 20 0 BDADRP C[C@H]1C[C@H](N(CC[NH3+])Cc2ccccc2)CC[NH2+]1 ZINC001246132504 987482853 /nfs/dbraw/zinc/48/28/53/987482853.db2.gz YPJXPCBPKKATLC-DZGCQCFKSA-N 2 0 247.386 1.588 20 0 BDADRP CCCC[C@H]1C[C@H](N[C@@H]2C[NH2+]C[C@H]2F)CC[NH2+]1 ZINC001246131158 987484326 /nfs/dbraw/zinc/48/43/26/987484326.db2.gz VTVWROHYPLUBCO-UMSGYPCISA-N 2 0 243.370 1.197 20 0 BDADRP C[NH2+]CC[C@@H](C)[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246133740 987489958 /nfs/dbraw/zinc/48/99/58/987489958.db2.gz VJWHPCVEUICVOV-OLZOCXBDSA-N 3 0 239.407 1.496 20 0 BDADRP C1CC2(C[C@@H]1[NH2+][C@@H]1CCCOC1)CC[NH2+]CC2 ZINC001246137655 987493872 /nfs/dbraw/zinc/49/38/72/987493872.db2.gz WZEVRFLUHNLVQB-CHWSQXEVSA-N 2 0 238.375 1.677 20 0 BDADRP C[C@@H]1C[C@@H](N[C@H]2C[NH2+]Cc3ccsc32)C[NH2+]1 ZINC001246142175 987498317 /nfs/dbraw/zinc/49/83/17/987498317.db2.gz MUPAWDVKJFFEJD-IEBDPFPHSA-N 2 0 237.372 1.232 20 0 BDADRP CC[NH+](CC)CCCC[NH2+][C@H]1CC[C@H](C)NC1 ZINC001246162356 987523690 /nfs/dbraw/zinc/52/36/90/987523690.db2.gz PBYAIOSJCHAUFY-KBPBESRZSA-N 2 0 241.423 1.839 20 0 BDADRP C(CC[NH+]1CCCC1)C[NH2+]C1CC[NH2+]CC1 ZINC001246162595 987524273 /nfs/dbraw/zinc/52/42/73/987524273.db2.gz PNPZIHVLICNLJU-UHFFFAOYSA-N 3 0 225.380 1.204 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C23CCC([NH3+])(CC2)CC3)CC[NH2+]1 ZINC001246163641 987529324 /nfs/dbraw/zinc/52/93/24/987529324.db2.gz OLQBFAWRNCERRF-FEPKRQSRSA-N 3 0 237.391 1.521 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C2CC3(C2)CC[NH2+]CC3)CC[NH2+]1 ZINC001246168596 987532688 /nfs/dbraw/zinc/53/26/88/987532688.db2.gz DYVJZSOMHNRMRX-NWDGAFQWSA-N 3 0 237.391 1.249 20 0 BDADRP C[C@@H]1C[C@@H](Nc2cccc(F)c2C[NH3+])CC[NH2+]1 ZINC001246173829 987537026 /nfs/dbraw/zinc/53/70/26/987537026.db2.gz VTUTWHIRYGSFSZ-ZJUUUORDSA-N 2 0 237.322 1.837 20 0 BDADRP CC[C@@H]1C[C@@H](NC[C@@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001246172123 987538278 /nfs/dbraw/zinc/53/82/78/987538278.db2.gz ZOBLTYPNMXTAHL-AGIUHOORSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@H]1CC[C@@H]([NH2+]CCCCC[NH+](C)C)CN1 ZINC001246174815 987542644 /nfs/dbraw/zinc/54/26/44/987542644.db2.gz XFHVDXSBHKUTDI-QWHCGFSZSA-N 2 0 227.396 1.448 20 0 BDADRP CCCN(CCC[NH3+])[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246180951 987552613 /nfs/dbraw/zinc/55/26/13/987552613.db2.gz UWGILIVCJMSGBL-VXGBXAGGSA-N 2 0 213.369 1.188 20 0 BDADRP CCCC[C@@H]1C[C@H](N[C@H]2C[NH2+]C[C@H]2F)CC[NH2+]1 ZINC001246187648 987557726 /nfs/dbraw/zinc/55/77/26/987557726.db2.gz VTVWROHYPLUBCO-LPWJVIDDSA-N 2 0 243.370 1.197 20 0 BDADRP CC[C@H]1CC(NC[C@H]2CCC[NH2+]2)C[C@H](CC)[NH2+]1 ZINC001246186000 987561515 /nfs/dbraw/zinc/56/15/15/987561515.db2.gz CYSSONGYVXUSFR-RWMBFGLXSA-N 2 0 239.407 1.637 20 0 BDADRP CCCC[C@@H]1C[C@@H](NC[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC001246187217 987564731 /nfs/dbraw/zinc/56/47/31/987564731.db2.gz MQMKGKSHLDHIQY-HZSPNIEDSA-N 2 0 239.407 1.639 20 0 BDADRP CC[C@@H]1C[C@@H](N[C@]2(C)CCC[NH2+]C2)CC[NH2+]1 ZINC001246191136 987579831 /nfs/dbraw/zinc/57/98/31/987579831.db2.gz UVYIWTXLSUTGCK-FRRDWIJNSA-N 2 0 225.380 1.249 20 0 BDADRP CCOC(=O)CC[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001246196981 987589432 /nfs/dbraw/zinc/58/94/32/987589432.db2.gz JDZUWFKZWZTOLT-NWDGAFQWSA-N 2 0 242.363 1.307 20 0 BDADRP C(N[C@@H]1CC2CC[NH+](CC2)C1)[C@H]1CCC[NH2+]C1 ZINC001246197568 987591971 /nfs/dbraw/zinc/59/19/71/987591971.db2.gz BIQSTNOBUJQVDU-UONOGXRCSA-N 2 0 237.391 1.060 20 0 BDADRP CC1(C)C[C@@H](NC[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246197743 987592321 /nfs/dbraw/zinc/59/23/21/987592321.db2.gz LMCZQUXWPJNGEN-RYUDHWBXSA-N 2 0 225.380 1.106 20 0 BDADRP CC(C)[C@@H]1C[C@@H](NC[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246200943 987594718 /nfs/dbraw/zinc/59/47/18/987594718.db2.gz STHIZSVNDFQJSM-IHRRRGAJSA-N 2 0 239.407 1.352 20 0 BDADRP O=C1C[C@H]2C[C@H]([NH2+]C[C@H]3CCC[NH2+]C3)C[C@H]2C1 ZINC001246199694 987594949 /nfs/dbraw/zinc/59/49/49/987594949.db2.gz NCNNBMCEFZVGBI-WUHRBBMRSA-N 2 0 236.359 1.333 20 0 BDADRP CC(C)[C@@H]1C[C@@H](NC[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246200946 987595793 /nfs/dbraw/zinc/59/57/93/987595793.db2.gz STHIZSVNDFQJSM-RDBSUJKOSA-N 2 0 239.407 1.352 20 0 BDADRP C[C@H]1CC[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CN1 ZINC001246203461 987597876 /nfs/dbraw/zinc/59/78/76/987597876.db2.gz AVMBQERDJZMAAZ-XUXIUFHCSA-N 2 0 239.407 1.482 20 0 BDADRP c1ccc(C2(NC3CC[NH2+]CC3)CC2)nc1 ZINC001246209094 987601872 /nfs/dbraw/zinc/60/18/72/987601872.db2.gz DKKHJHPOVFAEER-UHFFFAOYSA-N 2 0 217.316 1.412 20 0 BDADRP Clc1cccc(CNC2CC[NH2+]CC2)n1 ZINC001246208362 987604655 /nfs/dbraw/zinc/60/46/55/987604655.db2.gz HXMGHSWNKQOTMV-UHFFFAOYSA-N 2 0 225.723 1.577 20 0 BDADRP C[NH2+]CC[C@H](C)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC001246209919 987607216 /nfs/dbraw/zinc/60/72/16/987607216.db2.gz KBPNGIVKLSNMMW-AVGNSLFASA-N 3 0 227.396 1.339 20 0 BDADRP CCC[C@@H](C)[NH2+]C1CN(C2CC[NH2+]CC2)C1 ZINC001246215376 987609723 /nfs/dbraw/zinc/60/97/23/987609723.db2.gz OFOFNUYXGHDLEH-LLVKDONJSA-N 2 0 225.380 1.201 20 0 BDADRP CC[C@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)CCO1 ZINC001246217213 987615089 /nfs/dbraw/zinc/61/50/89/987615089.db2.gz YJNZRADZDVWPMA-XQQFMLRXSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+]CC2)CC[NH2+]1 ZINC001246223263 987620126 /nfs/dbraw/zinc/62/01/26/987620126.db2.gz JPBPCFJCFKSELH-JHJVBQTASA-N 3 0 225.380 1.106 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC001246223679 987623485 /nfs/dbraw/zinc/62/34/85/987623485.db2.gz UPWIWZKKMSGTJM-HTVCTNPSSA-N 3 0 237.391 1.247 20 0 BDADRP C[C@@H]1C[C@H](NCc2ccccc2CO)CC[NH2+]1 ZINC001246227560 987627293 /nfs/dbraw/zinc/62/72/93/987627293.db2.gz DNWQRQIBIQOPPB-BXUZGUMPSA-N 2 0 234.343 1.409 20 0 BDADRP CC[C@@H]1C[C@H](NC2(CC)C[NH2+]C2)C[C@H](CC)[NH2+]1 ZINC001246235883 987635273 /nfs/dbraw/zinc/63/52/73/987635273.db2.gz MPVVKGVJNOZBBZ-ITGUQSILSA-N 2 0 239.407 1.637 20 0 BDADRP O[C@H](C[NH2+]C1CC[NH2+]CC1)c1ccccc1F ZINC001246241622 987640879 /nfs/dbraw/zinc/64/08/79/987640879.db2.gz UHIWSCGHURSZPX-CYBMUJFWSA-N 2 0 238.306 1.201 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC[C@@H](C)NC1)C1CC[NH2+]CC1 ZINC001246251993 987654030 /nfs/dbraw/zinc/65/40/30/987654030.db2.gz PWIYDUBDPYDVJC-WZRBSPASSA-N 2 0 225.380 1.105 20 0 BDADRP CCC[NH2+]CCN[C@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246270534 987656581 /nfs/dbraw/zinc/65/65/81/987656581.db2.gz ORIXIBRWXJPMNY-STQMWFEESA-N 2 0 227.396 1.352 20 0 BDADRP CCOC(=O)[C@H]1C[C@@H]([NH2+][C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246263030 987657792 /nfs/dbraw/zinc/65/77/92/987657792.db2.gz FGXPFHKOKMPBQR-FIQHERPVSA-N 2 0 240.347 1.058 20 0 BDADRP [NH3+][C@@H]1CCN(C2CC[NH2+]CC2)c2ccccc21 ZINC001246264395 987658917 /nfs/dbraw/zinc/65/89/17/987658917.db2.gz SLWOZGCIXPBLIR-CYBMUJFWSA-N 2 0 231.343 1.649 20 0 BDADRP CCC[NH2+]CCN[C@@H]1CC[NH2+][C@@H](CC)C1 ZINC001246267996 987662296 /nfs/dbraw/zinc/66/22/96/987662296.db2.gz GNUDEZHMVQSBAV-NWDGAFQWSA-N 2 0 213.369 1.106 20 0 BDADRP C[C@H]1CC[C@H](NC(C)(C)CC[NH+](C)C)C[NH2+]1 ZINC001246268974 987662426 /nfs/dbraw/zinc/66/24/26/987662426.db2.gz XTHHMKZMVSEXCC-RYUDHWBXSA-N 2 0 227.396 1.447 20 0 BDADRP CCC[NH2+]CCN[C@H]1CC[NH2+][C@H](CC)C1 ZINC001246267994 987663306 /nfs/dbraw/zinc/66/33/06/987663306.db2.gz GNUDEZHMVQSBAV-NEPJUHHUSA-N 2 0 213.369 1.106 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCc2ccccc2O)CC[NH2+]1 ZINC001246267647 987663397 /nfs/dbraw/zinc/66/33/97/987663397.db2.gz VDMIYQUPNUGVPE-YPMHNXCESA-N 2 0 234.343 1.665 20 0 BDADRP CC(C)([NH3+])CCN[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246269935 987664593 /nfs/dbraw/zinc/66/45/93/987664593.db2.gz CISBGCJQVDALRH-VXGBXAGGSA-N 2 0 241.423 1.870 20 0 BDADRP CCC[NH2+]CC[NH2+][C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246269826 987664939 /nfs/dbraw/zinc/66/49/39/987664939.db2.gz LLJFTNVBBTWYOM-KBPBESRZSA-N 3 0 239.407 1.498 20 0 BDADRP CC[C@H]1CC(N[C@H]2CC[C@H]([NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246275610 987668782 /nfs/dbraw/zinc/66/87/82/987668782.db2.gz AWTSERPHDZGDCV-CYDGBPFRSA-N 2 0 239.407 1.765 20 0 BDADRP CCNCC[NH2+][C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246274647 987669884 /nfs/dbraw/zinc/66/98/84/987669884.db2.gz YUMVPKSWZIBOFI-QWHCGFSZSA-N 2 0 225.380 1.108 20 0 BDADRP CC(C)[C@H]1C[C@H](NCC[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC001246274956 987670250 /nfs/dbraw/zinc/67/02/50/987670250.db2.gz XMJGHYMWUWPIST-MGPQQGTHSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@H]1CC[C@H](n2nnc3ccc(C[NH3+])cc32)C[NH2+]1 ZINC001246280354 987675605 /nfs/dbraw/zinc/67/56/05/987675605.db2.gz RJCKHXSBMZRWOP-ONGXEEELSA-N 2 0 245.330 1.203 20 0 BDADRP CC1(C)C[C@H](N[C@H]2CCC[NH2+]C2)C(C)(C)N1O ZINC001246285190 987679627 /nfs/dbraw/zinc/67/96/27/987679627.db2.gz GOAFJTCBSIXZOX-QWRGUYRKSA-N 2 0 241.379 1.349 20 0 BDADRP CC(C)(O)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246302063 987697014 /nfs/dbraw/zinc/69/70/14/987697014.db2.gz VRIAICIUJOCZOJ-FOSCPWQOSA-N 2 0 226.364 1.410 20 0 BDADRP C[C@H]([NH3+])CC[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246303850 987700013 /nfs/dbraw/zinc/70/00/13/987700013.db2.gz JRYIBGGYPDUXSC-LBPRGKRZSA-N 3 0 239.407 1.626 20 0 BDADRP CC(C)C[NH+]1CCC(N[C@@H]2CCC[NH2+]C2)CC1 ZINC001246307117 987703716 /nfs/dbraw/zinc/70/37/16/987703716.db2.gz BKGZBIVYADGNJP-CQSZACIVSA-N 2 0 239.407 1.448 20 0 BDADRP C[NH2+]C1CCC([NH2+]C[C@H]([NH3+])CC(C)C)CC1 ZINC001246304741 987704961 /nfs/dbraw/zinc/70/49/61/987704961.db2.gz BCUCLHSCCRZVBG-PNESKVBLSA-N 3 0 227.396 1.480 20 0 BDADRP C[C@H]([NH3+])CCN[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001246307327 987707420 /nfs/dbraw/zinc/70/74/20/987707420.db2.gz WPVIQCAJRFHVSQ-STQMWFEESA-N 2 0 239.407 1.720 20 0 BDADRP CC[C@H]([NH3+])CNC1CC[NH+](CC2CC2)CC1 ZINC001246312077 987710877 /nfs/dbraw/zinc/71/08/77/987710877.db2.gz FMQQVDDJSXUIEI-LBPRGKRZSA-N 2 0 225.380 1.188 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246310951 987711937 /nfs/dbraw/zinc/71/19/37/987711937.db2.gz AWHUNVMVHMBYFU-AVGNSLFASA-N 3 0 225.380 1.236 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H](C)CCOCC(C)C ZINC001246313666 987714768 /nfs/dbraw/zinc/71/47/68/987714768.db2.gz JYSPYTJMPFPSJR-RYUDHWBXSA-N 2 0 216.369 1.765 20 0 BDADRP CC[C@@H](C)OCC[C@H](C)[NH2+]C[C@@H]([NH3+])CC ZINC001246312593 987716515 /nfs/dbraw/zinc/71/65/15/987716515.db2.gz GNHBWQDEFLWTQM-TUAOUCFPSA-N 2 0 216.369 1.907 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@H](C)CCOC(C)C ZINC001246313751 987717563 /nfs/dbraw/zinc/71/75/63/987717563.db2.gz KUWZQWMFWHHJRY-MNOVXSKESA-N 2 0 202.342 1.517 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@H]1Cc2ccc(OC)cc2C1 ZINC001246312694 987717781 /nfs/dbraw/zinc/71/77/81/987717781.db2.gz GYGTZZAIGQNBNU-STQMWFEESA-N 2 0 234.343 1.489 20 0 BDADRP CC[C@H]([NH3+])CN[C@@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246314082 987717847 /nfs/dbraw/zinc/71/78/47/987717847.db2.gz OJRCGEBXDJJDDX-TUAOUCFPSA-N 2 0 213.369 1.090 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[NH2+]C1CCC2(C[NH2+]C2)CC1 ZINC001246314875 987719099 /nfs/dbraw/zinc/71/90/99/987719099.db2.gz ZSULJXUWVUETSQ-GFCCVEGCSA-N 3 0 239.407 1.482 20 0 BDADRP CC[C@H]1C[C@H](N[C@@H](C[NH3+])c2ccccc2)CC[NH2+]1 ZINC001246316817 987720696 /nfs/dbraw/zinc/72/06/96/987720696.db2.gz NQOFNBQCJHKAGR-ZNMIVQPWSA-N 2 0 247.386 1.807 20 0 BDADRP C[C@H]1C[C@H](N[C@@H](C[NH3+])c2ccccc2)CC[NH2+]1 ZINC001246316113 987721244 /nfs/dbraw/zinc/72/12/44/987721244.db2.gz LYVKZVNRXZWOJK-YUTCNCBUSA-N 2 0 233.359 1.417 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@@H](C)CCC(=O)OC(C)C ZINC001246316401 987721545 /nfs/dbraw/zinc/72/15/45/987721545.db2.gz ZGVMTLUIQGIZCO-WDEREUQCSA-N 2 0 230.352 1.434 20 0 BDADRP CCCc1cc(C[NH3+])nn1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246318715 987723293 /nfs/dbraw/zinc/72/32/93/987723293.db2.gz BRTAPVQBLLLCKN-BVUQATHDSA-N 2 0 248.374 1.750 20 0 BDADRP CC[C@@H]([NH3+])CN[C@@H](C)CC[NH+](CC)CC ZINC001246317544 987726101 /nfs/dbraw/zinc/72/61/01/987726101.db2.gz MWYLKXUWJBGOKD-NWDGAFQWSA-N 2 0 215.385 1.434 20 0 BDADRP C[C@H]1CC(N[C@@H](C[NH3+])c2ccccc2)C[C@H](C)[NH2+]1 ZINC001246320456 987727304 /nfs/dbraw/zinc/72/73/04/987727304.db2.gz ZYEWZEJMPBLJJG-HUBLWGQQSA-N 2 0 247.386 1.805 20 0 BDADRP CCCc1cc(C[NH3+])nn1[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246320940 987728268 /nfs/dbraw/zinc/72/82/68/987728268.db2.gz LSEHPBGNNYNAMD-GXFFZTMASA-N 2 0 236.363 1.607 20 0 BDADRP C[C@H]1C[C@@H](n2cnc3cccc(C[NH3+])c32)CC[NH2+]1 ZINC001246324666 987731265 /nfs/dbraw/zinc/73/12/65/987731265.db2.gz YZXTXZJCAMIESS-JQWIXIFHSA-N 2 0 244.342 1.808 20 0 BDADRP C[NH2+]Cc1cccc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)c1 ZINC001246324357 987732483 /nfs/dbraw/zinc/73/24/83/987732483.db2.gz NLFOGDRNPKHDOZ-DOMZBBRYSA-N 3 0 247.386 1.636 20 0 BDADRP C[C@@H]1CC[C@@H](Nc2ccc(C[NH3+])nc2)C[NH2+]1 ZINC001246328502 987733884 /nfs/dbraw/zinc/73/38/84/987733884.db2.gz YIPBYUJYJJZBNO-MWLCHTKSSA-N 2 0 220.320 1.093 20 0 BDADRP C[C@H]1[NH2+]CCC[C@H]1NC1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246329083 987734833 /nfs/dbraw/zinc/73/48/33/987734833.db2.gz OKDISISQJBTOHP-MEWQQHAOSA-N 2 0 225.380 1.246 20 0 BDADRP CC[C@@H]1C[C@@H](NC[C@@H](C)C[NH3+])C[C@H](CC)[NH2+]1 ZINC001246328773 987736185 /nfs/dbraw/zinc/73/61/85/987736185.db2.gz SGZUTAOYKUWEDD-RVMXOQNASA-N 2 0 227.396 1.480 20 0 BDADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246334625 987741526 /nfs/dbraw/zinc/74/15/26/987741526.db2.gz VQCXZEAGDWMZSA-MGPQQGTHSA-N 3 0 239.407 1.482 20 0 BDADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246334624 987742520 /nfs/dbraw/zinc/74/25/20/987742520.db2.gz VQCXZEAGDWMZSA-MCIONIFRSA-N 3 0 239.407 1.482 20 0 BDADRP CC[C@@H]1C[C@H](N[C@@H]2C[NH2+]CCC2(C)C)CC[NH2+]1 ZINC001246334524 987743131 /nfs/dbraw/zinc/74/31/31/987743131.db2.gz ZXWDGBGUHLEZEF-JHJVBQTASA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCC2CCC(O)CC2)CC[NH2+]1 ZINC001246336607 987745772 /nfs/dbraw/zinc/74/57/72/987745772.db2.gz PRQUSJAVRUQCHJ-ZIHBUVQPSA-N 2 0 240.391 1.658 20 0 BDADRP CC1(C)C[C@@H]([NH2+][C@@]23CC[C@@]([NH3+])(C2)CCC3)CO1 ZINC001246337590 987746060 /nfs/dbraw/zinc/74/60/60/987746060.db2.gz AWZKGWHNJMEWIC-BNOWGMLFSA-N 2 0 238.375 1.948 20 0 BDADRP [NH3+]CCC1CCC([NH2+][C@@H]2CCCNC2)CC1 ZINC001246335767 987746682 /nfs/dbraw/zinc/74/66/82/987746682.db2.gz MDYYECHKLZLIPA-WXRRBKDZSA-N 2 0 225.380 1.236 20 0 BDADRP FC1(F)CCCN(CC[NH2+]C2CC[NH2+]CC2)C1 ZINC001246338959 987749078 /nfs/dbraw/zinc/74/90/78/987749078.db2.gz BGYLBKHKEJTOOI-UHFFFAOYSA-N 2 0 247.333 1.059 20 0 BDADRP CN1CC[C@@H]([NH2+][C@@]23CC[C@@]([NH3+])(C2)CCC3)C1 ZINC001246341683 987751588 /nfs/dbraw/zinc/75/15/88/987751588.db2.gz QAOYQDYDZSCJBX-UPJWGTAASA-N 2 0 223.364 1.084 20 0 BDADRP C[C@@H]1CC[C@@H](NCC[NH+]2CCC(F)CC2)C[NH2+]1 ZINC001246342307 987753282 /nfs/dbraw/zinc/75/32/82/987753282.db2.gz RGILMEVJZXCEMH-DGCLKSJQSA-N 2 0 243.370 1.150 20 0 BDADRP C[NH2+]CC[C@H](C)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001246342160 987753508 /nfs/dbraw/zinc/75/35/08/987753508.db2.gz RITSRJXXHHAAOL-XQQFMLRXSA-N 2 0 225.380 1.378 20 0 BDADRP COC[C@@H](C)[NH2+][C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001246342236 987753810 /nfs/dbraw/zinc/75/38/10/987753810.db2.gz SALHGEFXXSTPFN-UTUOFQBUSA-N 2 0 212.337 1.415 20 0 BDADRP CCOCC[C@@H](C)[NH2+][C@@H]1CCCNC1 ZINC001246359665 987760925 /nfs/dbraw/zinc/76/09/25/987760925.db2.gz UPVUQNPCKUVLAF-GHMZBOCLSA-N 2 0 200.326 1.143 20 0 BDADRP COC(=O)CCCC[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC001246357418 987765740 /nfs/dbraw/zinc/76/57/40/987765740.db2.gz UJFDHWXZJUWMEZ-GHMZBOCLSA-N 2 0 228.336 1.060 20 0 BDADRP C[C@@H]1CC[C@@H](N[C@H]2CC[N@H+](CC3CC3)C2)C[NH2+]1 ZINC001246361157 987767488 /nfs/dbraw/zinc/76/74/88/987767488.db2.gz KBICCCLAOZNTQY-BNOWGMLFSA-N 2 0 237.391 1.201 20 0 BDADRP C[C@H]1C[C@@H](Nc2cccc(CC[NH3+])c2)CC[NH2+]1 ZINC001246362989 987769371 /nfs/dbraw/zinc/76/93/71/987769371.db2.gz JSFJPFYUWZJYNT-FZMZJTMJSA-N 2 0 233.359 1.740 20 0 BDADRP C[NH+]1CCC(CCC[NH2+]C2CC[NH2+]CC2)CC1 ZINC001246364767 987770675 /nfs/dbraw/zinc/77/06/75/987770675.db2.gz UFSPLEOIGRGIGV-UHFFFAOYSA-N 3 0 239.407 1.450 20 0 BDADRP CCCC[C@H]1C[C@H](N[C@H]2C[NH2+][C@H](C)C2)CC[NH2+]1 ZINC001246367112 987771881 /nfs/dbraw/zinc/77/18/81/987771881.db2.gz YUEVETRSPXGPIY-XJFOESAGSA-N 2 0 239.407 1.637 20 0 BDADRP C[C@@H]1CC[C@@H](N[C@@H]2CC[NH2+]CC2(C)C)C[NH2+]1 ZINC001246375442 987776583 /nfs/dbraw/zinc/77/65/83/987776583.db2.gz ZRPDJJOSFGOPQA-IJLUTSLNSA-N 2 0 225.380 1.105 20 0 BDADRP CCC1(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)CC[NH2+]CC1 ZINC001246420162 987795278 /nfs/dbraw/zinc/79/52/78/987795278.db2.gz FQMRAZIGXGRGEM-OLZOCXBDSA-N 3 0 239.407 1.496 20 0 BDADRP CCC1(C[NH2+][C@@H]2C[NH2+][C@H](C)C2)CC[NH2+]CC1 ZINC001246423895 987795977 /nfs/dbraw/zinc/79/59/77/987795977.db2.gz RRVQYRKGWRXCMM-NEPJUHHUSA-N 3 0 225.380 1.106 20 0 BDADRP CCC1(C[NH2+][C@@H]2CCCNC2)CC[NH2+]CC1 ZINC001246422806 987796453 /nfs/dbraw/zinc/79/64/53/987796453.db2.gz OCCUIYCBXBABDT-GFCCVEGCSA-N 2 0 225.380 1.108 20 0 BDADRP C1[C@@H](N[C@H]2CC[NH2+]C3(CCCCC3)C2)C12C[NH2+]C2 ZINC001246441842 987797594 /nfs/dbraw/zinc/79/75/94/987797594.db2.gz AFOBXXUCJREQLO-QWHCGFSZSA-N 2 0 249.402 1.393 20 0 BDADRP Cc1cccc(C2(CN[C@H]3CCC[NH2+]C3)CC2)n1 ZINC001246440440 987799285 /nfs/dbraw/zinc/79/92/85/987799285.db2.gz TYKVSGUDGJRULH-ZDUSSCGKSA-N 2 0 245.370 1.763 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CC12C[NH2+]C2 ZINC001246443593 987803982 /nfs/dbraw/zinc/80/39/82/987803982.db2.gz HLVNLCLIMRHSHD-STQMWFEESA-N 3 0 239.407 1.448 20 0 BDADRP CCCC[C@@H]1C[C@@H](N[C@H]2CC23C[NH2+]C3)CC[NH2+]1 ZINC001246446663 987805205 /nfs/dbraw/zinc/80/52/05/987805205.db2.gz SSRLKUAGJWBDNT-AGIUHOORSA-N 2 0 237.391 1.249 20 0 BDADRP C[C@H]1C[C@H](n2c(C[NH3+])nc3cnccc32)CC[NH2+]1 ZINC001246446210 987806825 /nfs/dbraw/zinc/80/68/25/987806825.db2.gz KSXFHHAMOFPFBH-VHSXEESVSA-N 2 0 245.330 1.203 20 0 BDADRP COc1cccc(C[C@H](C)[NH2+][C@H]2CC23C[NH2+]C3)c1 ZINC001246447762 987807049 /nfs/dbraw/zinc/80/70/49/987807049.db2.gz WPGSPWDZGAMVAB-FZMZJTMJSA-N 2 0 246.354 1.578 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C2(Cc3cccnc3)CC2)CC[NH2+]1 ZINC001246447724 987807404 /nfs/dbraw/zinc/80/74/04/987807404.db2.gz QVBFWWDGNCLBRL-GXTWGEPZSA-N 2 0 245.370 1.887 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2C3)CC[NH2+]1 ZINC001246454031 987808265 /nfs/dbraw/zinc/80/82/65/987808265.db2.gz BXLPBDGIAYMQSM-NAWOPXAZSA-N 2 0 208.349 1.905 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[C@@H](C[NH3+])C2)CN1 ZINC001246451001 987809773 /nfs/dbraw/zinc/80/97/73/987809773.db2.gz SQBHSDDKZNLNMR-MQYQWHSLSA-N 2 0 239.407 1.482 20 0 BDADRP CC(C)[NH2+]CCN[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246454480 987809995 /nfs/dbraw/zinc/80/99/95/987809995.db2.gz UNRNEVHKYXBTPG-OLZOCXBDSA-N 2 0 241.423 1.741 20 0 BDADRP C[C@]1(CN[C@H]2CC[NH2+]C(C)(C)C2)CCC[NH2+]1 ZINC001246455818 987813083 /nfs/dbraw/zinc/81/30/83/987813083.db2.gz KIEBKSOBHXYYFV-WCQYABFASA-N 2 0 225.380 1.249 20 0 BDADRP C[C@H]1CCC[C@@H]([NH2+]CCC[NH2+]CCCC[NH3+])C1 ZINC001246455964 987814450 /nfs/dbraw/zinc/81/44/50/987814450.db2.gz HAMQBZYTJIBTGJ-UONOGXRCSA-N 3 0 241.423 1.873 20 0 BDADRP C[C@@H]1CSC[C@H]1[NH2+]C[C@@H]1C[NH+]2CCC1CC2 ZINC001474735478 987814439 /nfs/dbraw/zinc/81/44/39/987814439.db2.gz QKQHFKBPOISFOQ-RAIGVLPGSA-N 2 0 240.416 1.669 20 0 BDADRP CC[C@@H]1C[C@H](NC[C@]2(CC)CCC[NH2+]2)CC[NH2+]1 ZINC001246458589 987815845 /nfs/dbraw/zinc/81/58/45/987815845.db2.gz ZUNLPTIWDHPKEL-MCIONIFRSA-N 2 0 239.407 1.639 20 0 BDADRP CC1CCC([NH2+]CCC[NH2+]CCCC[NH3+])CC1 ZINC001246457633 987816095 /nfs/dbraw/zinc/81/60/95/987816095.db2.gz PHEYYBXHOYTCPS-UHFFFAOYSA-N 3 0 241.423 1.873 20 0 BDADRP C[C@@]1([NH3+])C[C@H]([NH2+][C@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246458497 987816153 /nfs/dbraw/zinc/81/61/53/987816153.db2.gz GTBJLIZATKUMDA-IGQOVBAYSA-N 3 0 237.391 1.378 20 0 BDADRP C[NH2+][C@H]1C[C@H](N[C@H]2CC[NH2+][C@H](C(C)(C)C)C2)C1 ZINC001246459310 987817415 /nfs/dbraw/zinc/81/74/15/987817415.db2.gz FFWHMGLNKABFJJ-CYDGBPFRSA-N 2 0 239.407 1.493 20 0 BDADRP C[C@H]1C[C@@H](Nc2ccc(C[NH3+])c(F)c2)CC[NH2+]1 ZINC001246461072 987820899 /nfs/dbraw/zinc/82/08/99/987820899.db2.gz BXQWWKTVKIEBQD-CABZTGNLSA-N 2 0 237.322 1.837 20 0 BDADRP F[C@H]1C[NH2+]CC[C@H]1C[NH2+][C@@H]1CCCSC1 ZINC001246475464 987830696 /nfs/dbraw/zinc/83/06/96/987830696.db2.gz GHMVWOPEGXHZDG-AXFHLTTASA-N 2 0 232.368 1.419 20 0 BDADRP [NH3+][C@@H]1CCCC[C@@H]1[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001246474503 987831364 /nfs/dbraw/zinc/83/13/64/987831364.db2.gz AHMWWAMOJBADTB-LLUNPGSJSA-N 2 0 222.332 1.332 20 0 BDADRP [NH3+][C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCSC1 ZINC001246475345 987832075 /nfs/dbraw/zinc/83/20/75/987832075.db2.gz FZMBMJOCUMIKPQ-AEJSXWLSSA-N 2 0 200.351 1.351 20 0 BDADRP C[C@H]1CC[C@H]([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)C1 ZINC001246477308 987834719 /nfs/dbraw/zinc/83/47/19/987834719.db2.gz NWARXFLDHBVNSZ-BJDJZHNGSA-N 2 0 214.328 1.712 20 0 BDADRP F[C@H]1C[NH2+]CC[C@H]1C[NH2+][C@H]1CCCOCC1 ZINC001246476724 987835206 /nfs/dbraw/zinc/83/52/06/987835206.db2.gz MEROLUCEVUPBRR-SRVKXCTJSA-N 2 0 230.327 1.093 20 0 BDADRP CC[C@H]1C[C@@H]([NH2+][C@H]2CCCC[C@H]2[NH3+])CCO1 ZINC001246479917 987838852 /nfs/dbraw/zinc/83/88/52/987838852.db2.gz WDFYFDJUHJJESN-RVMXOQNASA-N 2 0 226.364 1.804 20 0 BDADRP C[NH2+]CC[C@@H](C)[NH2+]CC[C@H]1CCNCC1(F)F ZINC001246493310 987846770 /nfs/dbraw/zinc/84/67/70/987846770.db2.gz YAVIZLIYSZQXKC-GHMZBOCLSA-N 2 0 249.349 1.209 20 0 BDADRP C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246494844 987851463 /nfs/dbraw/zinc/85/14/63/987851463.db2.gz LTNBIKKMZYLJIX-QNWHQSFQSA-N 2 0 237.391 1.105 20 0 BDADRP [NH3+]C12CC([NH2+]C3CCC4(CC[NH2+]CC4)CC3)(C1)C2 ZINC001246501124 987855646 /nfs/dbraw/zinc/85/56/46/987855646.db2.gz KWRZFRAUUUUCEN-UHFFFAOYSA-N 3 0 249.402 1.522 20 0 BDADRP CC[C@H]1C[C@@H](N[C@H](C[NH3+])CC(C)C)CC[NH2+]1 ZINC001246503934 987855710 /nfs/dbraw/zinc/85/57/10/987855710.db2.gz NXROMTZRKAKLNQ-AVGNSLFASA-N 2 0 227.396 1.480 20 0 BDADRP CC(C)C[C@@H](CN)[NH2+]C1CCC2(C[NH2+]C2)CC1 ZINC001246503004 987856706 /nfs/dbraw/zinc/85/67/06/987856706.db2.gz JCCVVAMPUAYSRL-ZDUSSCGKSA-N 2 0 239.407 1.482 20 0 BDADRP c1cc(OCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccn1 ZINC001246505433 987859859 /nfs/dbraw/zinc/85/98/59/987859859.db2.gz WEIYQIOCVQJCED-FUNVUKJBSA-N 2 0 247.342 1.333 20 0 BDADRP C[C@H]1C[C@H](NC[C@@H]2Cc3ccccc3C[NH2+]2)C[NH2+]1 ZINC001246504921 987859982 /nfs/dbraw/zinc/85/99/82/987859982.db2.gz GPKNZODMKIPFGV-CQDKDKBSSA-N 2 0 245.370 1.041 20 0 BDADRP COc1cccc([C@H](C[NH3+])NC2CC[NH2+]CC2)c1 ZINC001246509451 987861590 /nfs/dbraw/zinc/86/15/90/987861590.db2.gz HZPFNJDXCCPRSV-AWEZNQCLSA-N 2 0 249.358 1.037 20 0 BDADRP C1CC([C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C2C[NH2+]C2)C1 ZINC001246519347 987865311 /nfs/dbraw/zinc/86/53/11/987865311.db2.gz RYSRSJLCFOBQIO-IZGVIRRGSA-N 2 0 249.402 1.247 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](NC2CC[NH2+]CC2)[C@H](C)C1 ZINC001246516458 987866634 /nfs/dbraw/zinc/86/66/34/987866634.db2.gz UCQHFWWUUMKUKF-TZMCWYRMSA-N 2 0 239.407 1.447 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)[C@@H]1CCCO1 ZINC001246522567 987873136 /nfs/dbraw/zinc/87/31/36/987873136.db2.gz DEOYSYIDAHYXJM-BJDJZHNGSA-N 2 0 212.337 1.284 20 0 BDADRP CCCC[C@H]1C[C@@H](N(C)CC[NH2+]C)CC[NH2+]1 ZINC001246524824 987876104 /nfs/dbraw/zinc/87/61/04/987876104.db2.gz SJEKMMYGWBKGTM-STQMWFEESA-N 2 0 227.396 1.448 20 0 BDADRP c1ccc2c(c1)C[NH+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246525525 987877754 /nfs/dbraw/zinc/87/77/54/987877754.db2.gz SKTLQTINZFLCOD-AWEZNQCLSA-N 2 0 243.354 1.096 20 0 BDADRP C[C@]1([NH3+])CC[N@@H+](C2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001246526402 987879511 /nfs/dbraw/zinc/87/95/11/987879511.db2.gz BLGNPDQRYCWQNX-YATPEIPISA-N 2 0 210.321 1.120 20 0 BDADRP C[C@@H]1C[C@H](n2ccnc2CCC[NH3+])CC[NH2+]1 ZINC001246528303 987882329 /nfs/dbraw/zinc/88/23/29/987882329.db2.gz VUJPJYMZGFDCPT-GHMZBOCLSA-N 2 0 222.336 1.087 20 0 BDADRP CCC[N@H+](CCOC)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246530922 987885493 /nfs/dbraw/zinc/88/54/93/987885493.db2.gz QKQLHFKBUFGZPQ-NEPJUHHUSA-N 2 0 214.353 1.485 20 0 BDADRP CC(C)OC(=O)CC[C@@H](C)N1CCC[NH2+]CC1 ZINC001246530427 987885850 /nfs/dbraw/zinc/88/58/50/987885850.db2.gz YACWUOBCQOSDGH-GFCCVEGCSA-N 2 0 242.363 1.402 20 0 BDADRP C[C@]1([NH3+])CC[N@@H+]([C@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001246530597 987887058 /nfs/dbraw/zinc/88/70/58/987887058.db2.gz NERGKGVIUXQZEB-IHRRRGAJSA-N 3 0 237.391 1.332 20 0 BDADRP C[N@H+](CCN)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246529952 987887360 /nfs/dbraw/zinc/88/73/60/987887360.db2.gz VGXAKQZTVJNWPV-UHFFFAOYSA-N 2 0 225.380 1.189 20 0 BDADRP CC(C)(C)[C@@H]1C[C@H](N2CCC[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246533741 987889032 /nfs/dbraw/zinc/88/90/32/987889032.db2.gz GNLXKUBYNRBXKC-XQQFMLRXSA-N 2 0 239.407 1.576 20 0 BDADRP CC1(C)CC[C@@H]([N@@H+]2CCC[C@](O)(C[NH3+])CC2)C1 ZINC001246539144 987899192 /nfs/dbraw/zinc/89/91/92/987899192.db2.gz AZSKVKPSTMARBQ-TZMCWYRMSA-N 2 0 240.391 1.741 20 0 BDADRP C[NH2+]C1CCC([N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)CC1 ZINC001246539732 987900884 /nfs/dbraw/zinc/90/08/84/987900884.db2.gz IPGKWJORBCEYEO-ZFDZMSFRSA-N 3 0 225.380 1.044 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1C1C[C@H]2CC[C@@H](C1)O2 ZINC001246543807 987912629 /nfs/dbraw/zinc/91/26/29/987912629.db2.gz OBNWRYLMWJVUKR-RIEIUKCASA-N 2 0 210.321 1.118 20 0 BDADRP CSCC[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246547601 987928184 /nfs/dbraw/zinc/92/81/84/987928184.db2.gz FCOONWXPJUDJBP-IVZWLZJFSA-N 2 0 202.367 1.550 20 0 BDADRP CCSC[C@@H](C)[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246547735 987930018 /nfs/dbraw/zinc/93/00/18/987930018.db2.gz MXCCFOHKHKJQSS-HBNTYKKESA-N 2 0 216.394 1.655 20 0 BDADRP CC[C@@H]1C[C@H](N2CCC[C@@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246548055 987936560 /nfs/dbraw/zinc/93/65/60/987936560.db2.gz FGPPGNMBUGNAQT-MGPQQGTHSA-N 2 0 239.407 1.720 20 0 BDADRP C[C@@H]1[C@H](N)CC[N@@H+]1[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246549504 987937684 /nfs/dbraw/zinc/93/76/84/987937684.db2.gz LBWARYWIOGPWNI-AAVRWANBSA-N 2 0 237.391 1.330 20 0 BDADRP C[NH2+]C1CCC([N@@H+]2CCC[C@](C)([NH3+])CC2)CC1 ZINC001246551676 987949765 /nfs/dbraw/zinc/94/97/65/987949765.db2.gz MGGYNZWASWFAOF-RUXDESIVSA-N 3 0 239.407 1.720 20 0 BDADRP [NH3+]C[C@]1(F)CCC[N@@H+]([C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001246552269 987951727 /nfs/dbraw/zinc/95/17/27/987951727.db2.gz UCFHMUDHFZYGJG-RNJOBUHISA-N 2 0 226.339 1.938 20 0 BDADRP CC[C@@H]1CC(N2CC[C@@H]([NH3+])[C@H]2C)C[C@@H](CC)[NH2+]1 ZINC001246552719 987953805 /nfs/dbraw/zinc/95/38/05/987953805.db2.gz ZDPMWUSZOCWIPD-HKUMRIAESA-N 2 0 239.407 1.717 20 0 BDADRP C[N@@H+]1CCC[C@@H](N2CCC[C@@](C)([NH3+])CC2)C1 ZINC001246553442 987959981 /nfs/dbraw/zinc/95/99/81/987959981.db2.gz SFTVROFWFAIXRX-CHWSQXEVSA-N 2 0 225.380 1.284 20 0 BDADRP COC[C@@H](C)[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246553457 987962922 /nfs/dbraw/zinc/96/29/22/987962922.db2.gz SJPZZPIPAWNCTD-MNOVXSKESA-N 2 0 200.326 1.225 20 0 BDADRP C[C@@H]1CC[N@@H+]([C@H]2CCCN(C)C2)CC[C@H]1C[NH3+] ZINC001246555714 987970983 /nfs/dbraw/zinc/97/09/83/987970983.db2.gz FUARHRIWEPLCCR-RDBSUJKOSA-N 2 0 239.407 1.387 20 0 BDADRP [NH3+][C@@H]1CC[N@@H+](C2CCCCCCC2)C[C@H]1O ZINC001246558725 987984435 /nfs/dbraw/zinc/98/44/35/987984435.db2.gz MVKZOKDZCRSVQJ-CHWSQXEVSA-N 2 0 226.364 1.493 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]CC[C@H](C)[NH2+]C)C12CCC2 ZINC001118121218 988018126 /nfs/dbraw/zinc/01/81/26/988018126.db2.gz CBNSEXAHTMQRII-YNEHKIRRSA-N 2 0 240.391 1.922 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC001118118932 988021155 /nfs/dbraw/zinc/02/11/55/988021155.db2.gz KREFREBCMUMDHC-FRRDWIJNSA-N 2 0 228.380 1.778 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC001118118936 988022870 /nfs/dbraw/zinc/02/28/70/988022870.db2.gz KREFREBCMUMDHC-UPJWGTAASA-N 2 0 228.380 1.778 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246569500 988041445 /nfs/dbraw/zinc/04/14/45/988041445.db2.gz VHDNJFSJFMOHIO-MGPQQGTHSA-N 3 0 241.423 1.776 20 0 BDADRP CC[C@@H]1C[C@H](N2C[C@H]([NH3+])CC(F)(F)C2)CC[NH2+]1 ZINC001246572042 988063164 /nfs/dbraw/zinc/06/31/64/988063164.db2.gz JTFJEXZWOWAQSJ-GMTAPVOTSA-N 2 0 247.333 1.185 20 0 BDADRP C[C@@H]1CN([C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)CC[NH2+]1 ZINC001246573172 988072238 /nfs/dbraw/zinc/07/22/38/988072238.db2.gz HXRINZGQLARKNV-JHJVBQTASA-N 2 0 239.407 1.447 20 0 BDADRP COC(=O)C[N@H+](CC(C)C)CC1CC[NH2+]CC1 ZINC001118179599 988074625 /nfs/dbraw/zinc/07/46/25/988074625.db2.gz ZMDSDKLPODAPOS-UHFFFAOYSA-N 2 0 242.363 1.117 20 0 BDADRP C[C@@H]1C[C@@H](N2CCCC[C@@](C)(C[NH3+])C2)CC[NH2+]1 ZINC001246578790 988100537 /nfs/dbraw/zinc/10/05/37/988100537.db2.gz CDRDBMXQOIDGNI-RDBSUJKOSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@@H+]([C@@H]2CCC[NH2+]CC2)CC1 ZINC001246581078 988110506 /nfs/dbraw/zinc/11/05/06/988110506.db2.gz XQYLRRORUJOBMW-KGLIPLIRSA-N 3 0 239.407 1.579 20 0 BDADRP CCCCC[C@@H](C)[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246582407 988111592 /nfs/dbraw/zinc/11/15/92/988111592.db2.gz XQTIKJSSXCLNDE-WOPDTQHZSA-N 2 0 214.353 1.207 20 0 BDADRP CCCCC[C@@H](CC)[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246585291 988130777 /nfs/dbraw/zinc/13/07/77/988130777.db2.gz NHCKIKKIRRWEGH-YNEHKIRRSA-N 2 0 228.380 1.597 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CC(C)(C)C1 ZINC001246586171 988131182 /nfs/dbraw/zinc/13/11/82/988131182.db2.gz RGSBJDUSWQZTGG-VOAKCMCISA-N 2 0 240.391 1.453 20 0 BDADRP C[C@]1(C[NH3+])CCCCN([C@H]2CCC[NH2+]C2)C1 ZINC001246584521 988133278 /nfs/dbraw/zinc/13/32/78/988133278.db2.gz NHYHETMDWAXSOX-QWHCGFSZSA-N 2 0 225.380 1.189 20 0 BDADRP CC(C)(C)[C@H]1C[C@H](N2CC(C)(C[NH3+])C2)CC[NH2+]1 ZINC001246588084 988148936 /nfs/dbraw/zinc/14/89/36/988148936.db2.gz IYFJLRDKCAENFE-VXGBXAGGSA-N 2 0 239.407 1.434 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CC(C)(C)C[C@]2(C)CO)CC[NH2+]1 ZINC001246588099 988156892 /nfs/dbraw/zinc/15/68/92/988156892.db2.gz JHEFWSRSBLQCKY-MBNYWOFBSA-N 2 0 240.391 1.610 20 0 BDADRP CCCC[C@@H]1C[C@H](N2CC(C)(C[NH3+])C2)CC[NH2+]1 ZINC001246590348 988162602 /nfs/dbraw/zinc/16/26/02/988162602.db2.gz SRNXFUIAVUWDHO-CHWSQXEVSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@H]1CCC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246589853 988165733 /nfs/dbraw/zinc/16/57/33/988165733.db2.gz GZOAJSFRWIWDHP-QWHCGFSZSA-N 2 0 237.391 1.202 20 0 BDADRP C[NH2+]CC1C[NH+]([C@@H]2CC[C@H](C)[C@H](C)C2)C1 ZINC001246593227 988173847 /nfs/dbraw/zinc/17/38/47/988173847.db2.gz AXJQVGUPZRTYHT-DMDPSCGWSA-N 2 0 210.365 1.962 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H](C)[C@](C)(O)C2)CC[NH2+]1 ZINC001246593018 988175872 /nfs/dbraw/zinc/17/58/72/988175872.db2.gz RJPDQIQJFHSFCG-FDYHWXHSSA-N 2 0 226.364 1.220 20 0 BDADRP C[C@@H]1C[C@@H](N2C[C@H](C[NH3+])CC[C@H]2C)CC[NH2+]1 ZINC001246593307 988177070 /nfs/dbraw/zinc/17/70/70/988177070.db2.gz RZEMEXWOQOHHFO-NDBYEHHHSA-N 2 0 225.380 1.186 20 0 BDADRP [NH3+]C[C@@H]1CCCCN([C@H]2CCCC[NH2+]C2)C1 ZINC001246595199 988189391 /nfs/dbraw/zinc/18/93/91/988189391.db2.gz SCFGWJYYUHBULC-STQMWFEESA-N 2 0 225.380 1.189 20 0 BDADRP C[C@@H]1CC[C@H](N2CCCC[C@H](C[NH3+])C2)C[NH2+]1 ZINC001246597498 988193456 /nfs/dbraw/zinc/19/34/56/988193456.db2.gz WXPXBMRMBMGCJC-UPJWGTAASA-N 2 0 225.380 1.188 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N1CC(C)(C[NH3+])C1 ZINC001246599881 988203372 /nfs/dbraw/zinc/20/33/72/988203372.db2.gz RMQODIRXYQSAJC-GFCCVEGCSA-N 2 0 227.396 1.387 20 0 BDADRP C1C[C@H]2CC(N3CC[C@]4(C3)CCC[NH2+]C4)C[C@@H]1[NH2+]2 ZINC001246599224 988204680 /nfs/dbraw/zinc/20/46/80/988204680.db2.gz BGNJSUVJXKKYGT-IZGVIRRGSA-N 2 0 249.402 1.345 20 0 BDADRP C[C@@H](CC1CC1)[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246599756 988205180 /nfs/dbraw/zinc/20/51/80/988205180.db2.gz DJKJEIXAFZIGJR-LBPRGKRZSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@@H]1CC[C@@H](N2CCC[C@]23CCC[NH2+]C3)C[NH2+]1 ZINC001246605739 988212673 /nfs/dbraw/zinc/21/26/73/988212673.db2.gz CQOVSUACKQQJGL-MCIONIFRSA-N 2 0 237.391 1.345 20 0 BDADRP C1C[NH2+]C[C@@]2(C1)CCCN(C1CC[NH2+]CC1)C2 ZINC001246605287 988215120 /nfs/dbraw/zinc/21/51/20/988215120.db2.gz BALNENCPHCBDQR-CQSZACIVSA-N 3 0 237.391 1.204 20 0 BDADRP C[C@H]1C[C@H](N2CCC[C@@]23CCC[NH2+]C3)CC[NH2+]1 ZINC001246613371 988238463 /nfs/dbraw/zinc/23/84/63/988238463.db2.gz YUMWIAPGVGDONT-BFHYXJOUSA-N 2 0 237.391 1.345 20 0 BDADRP C1[NH2+]CC12CN([C@@H]1CC[NH2+]C3(CCCCC3)C1)C2 ZINC001246612267 988244001 /nfs/dbraw/zinc/24/40/01/988244001.db2.gz GIEXYVYVVNIVOP-CYBMUJFWSA-N 2 0 249.402 1.347 20 0 BDADRP C[NH2+]CC[C@H](C)N1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246617176 988259990 /nfs/dbraw/zinc/25/99/90/988259990.db2.gz YHJAUKPUZRGLKN-UONOGXRCSA-N 2 0 239.407 1.593 20 0 BDADRP CCC[C@H](C)[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246619609 988269709 /nfs/dbraw/zinc/26/97/09/988269709.db2.gz SKWXPOJQZYXCIP-AVGNSLFASA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H]1CC[C@H](N2CCC[C@]3(CC[NH2+]C3)C2)C[NH2+]1 ZINC001246628501 988288873 /nfs/dbraw/zinc/28/88/73/988288873.db2.gz LYCMIIKHPVWHBB-HZSPNIEDSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@@H]1C[C@H](N2CCC[C@]3(CCC[NH2+]3)C2)CC[NH2+]1 ZINC001246627885 988293570 /nfs/dbraw/zinc/29/35/70/988293570.db2.gz ZXOLNVVFTVOBNQ-MGPQQGTHSA-N 2 0 237.391 1.345 20 0 BDADRP C[C@H]1C[C@@H](N2CC[C@H]3C[NH2+]C[C@H]3CC2)CC[NH2+]1 ZINC001246630825 988301618 /nfs/dbraw/zinc/30/16/18/988301618.db2.gz PJNQXTAWTPSUDG-FQUUOJAGSA-N 2 0 237.391 1.058 20 0 BDADRP CC(C)[C@H]1C[C@@H](N2CC[C@@H]3[NH2+]CC[C@H]32)CC[NH2+]1 ZINC001246634776 988313299 /nfs/dbraw/zinc/31/32/99/988313299.db2.gz PHMJBBOBIRHQNS-IGQOVBAYSA-N 2 0 237.391 1.199 20 0 BDADRP C1C[C@@H]2[C@H](CC[N@@H+]2[C@H]2CCCSC2)[NH2+]1 ZINC001246633135 988317257 /nfs/dbraw/zinc/31/72/57/988317257.db2.gz JVZOBGIUXVEWIA-GARJFASQSA-N 2 0 212.362 1.318 20 0 BDADRP C[NH2+]CC[C@H](C)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246633487 988319934 /nfs/dbraw/zinc/31/99/34/988319934.db2.gz YKNCAIOKINEVKG-QWHCGFSZSA-N 3 0 225.380 1.060 20 0 BDADRP C[NH2+]CC[C@@H](C)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246633483 988321129 /nfs/dbraw/zinc/32/11/29/988321129.db2.gz YKNCAIOKINEVKG-CHWSQXEVSA-N 3 0 225.380 1.060 20 0 BDADRP CC[C@@H]1CC[C@@H]([N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)C1 ZINC001246638305 988336481 /nfs/dbraw/zinc/33/64/81/988336481.db2.gz RTCRUKWZFLVFPA-MCIONIFRSA-N 2 0 237.391 1.202 20 0 BDADRP CC[C@@H]1CC[C@H]([N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)C1 ZINC001246638310 988340556 /nfs/dbraw/zinc/34/05/56/988340556.db2.gz RTCRUKWZFLVFPA-RDBSUJKOSA-N 2 0 237.391 1.202 20 0 BDADRP C[NH2+]C1CCC(N2CCCCC23C[NH2+]C3)CC1 ZINC001246642559 988350464 /nfs/dbraw/zinc/35/04/64/988350464.db2.gz MZBNSNWSKDISPA-UHFFFAOYSA-N 2 0 237.391 1.345 20 0 BDADRP CCC[NH+]1CCC(N2CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001246641113 988351173 /nfs/dbraw/zinc/35/11/73/988351173.db2.gz WAMYIUHMKGAMKC-ZIAGYGMSSA-N 2 0 237.391 1.297 20 0 BDADRP C[C@@H]1CCC[C@@H]([N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246644243 988353124 /nfs/dbraw/zinc/35/31/24/988353124.db2.gz RHLWSDRQMQGRMN-MGPQQGTHSA-N 2 0 237.391 1.202 20 0 BDADRP CCC[NH2+]CC[C@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001497269035 988368744 /nfs/dbraw/zinc/36/87/44/988368744.db2.gz SUECAZSZMROWEY-RYUDHWBXSA-N 2 0 243.395 1.221 20 0 BDADRP C[C@H]1CC[C@@H](N2CCCC23CC[NH2+]CC3)C[NH2+]1 ZINC001246652047 988379072 /nfs/dbraw/zinc/37/90/72/988379072.db2.gz HIBJMVOTNVGNNP-QWHCGFSZSA-N 2 0 237.391 1.345 20 0 BDADRP Cc1nc2c(n1[C@@H]1CC[C@@H](C)[NH2+]C1)CC[NH2+]CC2 ZINC001246660603 988392484 /nfs/dbraw/zinc/39/24/84/988392484.db2.gz DPNYRIHQCZSHER-ZYHUDNBSSA-N 2 0 248.374 1.193 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2CCC[C@@H]3[NH2+]C[C@@H]32)CC[NH2+]1 ZINC001246662890 988396505 /nfs/dbraw/zinc/39/65/05/988396505.db2.gz OBZADNCWWNLAMI-RFGFWPKPSA-N 2 0 237.391 1.199 20 0 BDADRP C[C@H]1C[C@H]([N@@H+]2CC[C@H]3CCCO[C@@H]3C2)CC[NH2+]1 ZINC001246661746 988400531 /nfs/dbraw/zinc/40/05/31/988400531.db2.gz HWWDQJPFDIZDQZ-REWJHTLYSA-N 2 0 238.375 1.628 20 0 BDADRP Cc1nc2c(n1[C@@H]1CC[NH2+][C@@H](C)C1)CC[NH2+]CC2 ZINC001246668408 988410615 /nfs/dbraw/zinc/41/06/15/988410615.db2.gz YGDPAVOOMPTAOH-CMPLNLGQSA-N 2 0 248.374 1.193 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2CC[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC001246672933 988416589 /nfs/dbraw/zinc/41/65/89/988416589.db2.gz MWJUVUZLERJMFT-XQQFMLRXSA-N 2 0 225.380 1.057 20 0 BDADRP CCCC[C@@H]1C[C@@H](N2C[C@H]3C[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC001246674842 988418568 /nfs/dbraw/zinc/41/85/68/988418568.db2.gz BOUISGIWUVRBIX-MQYQWHSLSA-N 2 0 237.391 1.343 20 0 BDADRP CCCC[C@H]1C[C@@H](N2CC[NH2+][C@H](C)C2)CC[NH2+]1 ZINC001246676581 988422635 /nfs/dbraw/zinc/42/26/35/988422635.db2.gz CKWIPXNYPGWQOV-RDBSUJKOSA-N 2 0 239.407 1.591 20 0 BDADRP CC(C)[C@@H]1C[C@H](N(C)[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246676110 988422699 /nfs/dbraw/zinc/42/26/99/988422699.db2.gz CHRQWTOSQVWTHU-RDBSUJKOSA-N 2 0 239.407 1.447 20 0 BDADRP CCCC[C@H]1C[C@@H](N(C)CCC[NH3+])CC[NH2+]1 ZINC001246682578 988428639 /nfs/dbraw/zinc/42/86/39/988428639.db2.gz WEIUPBHQEWHWBS-STQMWFEESA-N 2 0 227.396 1.578 20 0 BDADRP CC[C@H]1C[C@@H](N2CC[NH2+][C@H](C(C)C)C2)CC[NH2+]1 ZINC001246684569 988431114 /nfs/dbraw/zinc/43/11/14/988431114.db2.gz HLTPCHMYYYGNBI-IHRRRGAJSA-N 2 0 239.407 1.447 20 0 BDADRP CC[C@@H]1C[C@@H](N(C)[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246680024 988432484 /nfs/dbraw/zinc/43/24/84/988432484.db2.gz SCRRDJVSFVFGCL-FRRDWIJNSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H]1C[NH2+][C@@H](C)CN1[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246690428 988437102 /nfs/dbraw/zinc/43/71/02/988437102.db2.gz NCHZXKFTKYGNMT-QJPTWQEYSA-N 2 0 225.380 1.199 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)CC[NH2+]1 ZINC001246704418 988449422 /nfs/dbraw/zinc/44/94/22/988449422.db2.gz VKRNDHKLQPBMHG-MQYQWHSLSA-N 2 0 237.391 1.010 20 0 BDADRP CCCO[C@H]1CC[N@@H+]([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246780609 988462019 /nfs/dbraw/zinc/46/20/19/988462019.db2.gz MWEYIHZUGWXTFW-AGIUHOORSA-N 2 0 226.364 1.628 20 0 BDADRP CCCO[C@H]1CC[N@@H+]([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246780611 988463989 /nfs/dbraw/zinc/46/39/89/988463989.db2.gz MWEYIHZUGWXTFW-UPJWGTAASA-N 2 0 226.364 1.628 20 0 BDADRP c1ccc(O[C@H]2CC[N@@H+](C3CC[NH2+]CC3)C2)cc1 ZINC001246784633 988464695 /nfs/dbraw/zinc/46/46/95/988464695.db2.gz HFRCRPXMNNFREQ-HNNXBMFYSA-N 2 0 246.354 1.892 20 0 BDADRP C[C@H]1CC[C@@H](N(C)CCC2CC[NH2+]CC2)C[NH2+]1 ZINC001246793166 988466775 /nfs/dbraw/zinc/46/67/75/988466775.db2.gz AYTCWPJTQBMSRY-GXTWGEPZSA-N 2 0 239.407 1.448 20 0 BDADRP COCC[C@@H]1CCCC[N@@H+]1C1CC[NH2+]CC1 ZINC001246788594 988468786 /nfs/dbraw/zinc/46/87/86/988468786.db2.gz UKNVZYIHQXCSRK-LBPRGKRZSA-N 2 0 226.364 1.629 20 0 BDADRP CCN(CC[NH+](CC)CC)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246792800 988469108 /nfs/dbraw/zinc/46/91/08/988469108.db2.gz WYXFARDKTUCOQE-KGLIPLIRSA-N 2 0 241.423 1.791 20 0 BDADRP c1ccc(C[C@@H]2CCC[N@@H+]2C2CC[NH2+]CC2)nc1 ZINC001246802093 988483585 /nfs/dbraw/zinc/48/35/85/988483585.db2.gz JFVTVZAIHPCIFO-HNNXBMFYSA-N 2 0 245.370 1.841 20 0 BDADRP CC[C@H]1C[NH2+]CCN1C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246803120 988485843 /nfs/dbraw/zinc/48/58/43/988485843.db2.gz LTBFGHIPTALWHR-UTUOFQBUSA-N 2 0 225.380 1.199 20 0 BDADRP C[C@@H]1CC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)[C@@H](C)C1 ZINC001246810494 988491371 /nfs/dbraw/zinc/49/13/71/988491371.db2.gz NRUJNTYWPQJYMT-FRRDWIJNSA-N 2 0 237.391 1.201 20 0 BDADRP C[NH2+][C@@H]1CCN([C@H]2CC[NH2+][C@@H](C(C)C)C2)C1 ZINC001246811959 988497397 /nfs/dbraw/zinc/49/73/97/988497397.db2.gz FPWSUXFQPXTXBZ-FRRDWIJNSA-N 2 0 225.380 1.057 20 0 BDADRP C[NH2+][C@@H]1CCN([C@@H]2CC[NH2+][C@@H](C(C)C)C2)C1 ZINC001246811961 988497490 /nfs/dbraw/zinc/49/74/90/988497490.db2.gz FPWSUXFQPXTXBZ-JHJVBQTASA-N 2 0 225.380 1.057 20 0 BDADRP CC(=O)C1CCN(C2CC[NH2+]CC2)CC1 ZINC001246817790 988501200 /nfs/dbraw/zinc/50/12/00/988501200.db2.gz UUGAXMKVBWUINM-UHFFFAOYSA-N 2 0 210.321 1.039 20 0 BDADRP CC1(C)CN([C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC001246816311 988502859 /nfs/dbraw/zinc/50/28/59/988502859.db2.gz ISELCQWXIYWCEH-ITGUQSILSA-N 2 0 237.391 1.343 20 0 BDADRP C[NH2+]CC[C@H](C)N1CC[NH2+][C@@H](CC(C)C)C1 ZINC001246819349 988504848 /nfs/dbraw/zinc/50/48/48/988504848.db2.gz CYWGJCVQMAISJE-STQMWFEESA-N 2 0 227.396 1.304 20 0 BDADRP CC1(C)CN([C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC001246816309 988505002 /nfs/dbraw/zinc/50/50/02/988505002.db2.gz ISELCQWXIYWCEH-CLLJXQQHSA-N 2 0 237.391 1.343 20 0 BDADRP CC(=O)C1CC[NH+]([C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246816241 988505189 /nfs/dbraw/zinc/50/51/89/988505189.db2.gz HZRWYZSSHJAOOR-GXFFZTMASA-N 2 0 224.348 1.428 20 0 BDADRP c1ccc([C@H]2CN([C@H]3CCC[NH2+]C3)CC[NH2+]2)cc1 ZINC001246827970 988514061 /nfs/dbraw/zinc/51/40/61/988514061.db2.gz PBTQHMGLNJYFCU-LSDHHAIUSA-N 2 0 245.370 1.385 20 0 BDADRP CC(C)C[C@H]1CN([C@H]2C[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC001246826240 988517984 /nfs/dbraw/zinc/51/79/84/988517984.db2.gz YDSPQUXNVOBAFD-RWMBFGLXSA-N 2 0 225.380 1.057 20 0 BDADRP C[C@@H]1CC[C@H](N2CCC[C@@H]3C[N@H+](C)C[C@@H]32)C[NH2+]1 ZINC001246830984 988520130 /nfs/dbraw/zinc/52/01/30/988520130.db2.gz JMZQMECMLZZUIJ-MQYQWHSLSA-N 2 0 237.391 1.153 20 0 BDADRP CCCC[C@@H](CC(C)C)N(CC[NH3+])CC[NH3+] ZINC001246832087 988529758 /nfs/dbraw/zinc/52/97/58/988529758.db2.gz PYMSFODQMDEZMN-ZDUSSCGKSA-N 2 0 229.412 1.811 20 0 BDADRP CC[C@@H]1C[C@@H](N2CC3(C2)CCCC[NH2+]3)CC[NH2+]1 ZINC001246834939 988532153 /nfs/dbraw/zinc/53/21/53/988532153.db2.gz WGGJHOKFOLTCEG-OLZOCXBDSA-N 2 0 237.391 1.345 20 0 BDADRP CC[C@H](C)C[C@H](CC)N(CC[NH3+])CC[NH3+] ZINC001246834443 988534259 /nfs/dbraw/zinc/53/42/59/988534259.db2.gz UVZSHZLTJRLBFH-RYUDHWBXSA-N 2 0 215.385 1.421 20 0 BDADRP C[C@@H]1C[C@H](N(C)C[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246839670 988538743 /nfs/dbraw/zinc/53/87/43/988538743.db2.gz DLSZHVLOPINKHJ-FRRDWIJNSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@H]1C[C@@H]([NH+]2CCC(n3cnnc3)CC2)CC[NH2+]1 ZINC001246842218 988546743 /nfs/dbraw/zinc/54/67/43/988546743.db2.gz XMJCXDYBORXXSG-AAEUAGOBSA-N 2 0 249.362 1.056 20 0 BDADRP C[NH2+]Cc1c(C)nn([C@@H]2CC[NH2+][C@H](C)C2)c1C ZINC001246843151 988548185 /nfs/dbraw/zinc/54/81/85/988548185.db2.gz BGSAXCQBIBQDON-BXKDBHETSA-N 2 0 236.363 1.532 20 0 BDADRP CC[C@H]1CCCC[N@@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246845832 988555167 /nfs/dbraw/zinc/55/51/67/988555167.db2.gz MGABMFKQSOSDOM-STQMWFEESA-N 2 0 237.391 1.345 20 0 BDADRP C[C@@H]1C[C@H](n2ccnc2[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246848807 988565278 /nfs/dbraw/zinc/56/52/78/988565278.db2.gz OIBIPSWUKALYNB-FRRDWIJNSA-N 2 0 248.374 1.663 20 0 BDADRP CC1CCC([N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)CC1 ZINC001246851737 988568456 /nfs/dbraw/zinc/56/84/56/988568456.db2.gz HCELYAANEFMLBT-MVKMKZAISA-N 2 0 208.349 1.988 20 0 BDADRP CC1CCC([N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)CC1 ZINC001246851736 988572494 /nfs/dbraw/zinc/57/24/94/988572494.db2.gz HCELYAANEFMLBT-KPFVRQRISA-N 2 0 208.349 1.988 20 0 BDADRP C[C@@H]1CC[C@H](N2CC3(C2)CCC[NH2+]CC3)C[NH2+]1 ZINC001246854673 988577768 /nfs/dbraw/zinc/57/77/68/988577768.db2.gz QOJJWPFURYWBCB-OLZOCXBDSA-N 2 0 237.391 1.202 20 0 BDADRP CC[C@H]1C[NH2+]CCN1[C@@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246856886 988578124 /nfs/dbraw/zinc/57/81/24/988578124.db2.gz HUWKXQMFWJSDGG-BFHYXJOUSA-N 2 0 239.407 1.447 20 0 BDADRP CC[C@@H]1C[C@@H](N(CC)[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246856217 988579779 /nfs/dbraw/zinc/57/97/79/988579779.db2.gz ZRFHVXANGUIODV-HZSPNIEDSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@H](CC1CC1)[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246858865 988585072 /nfs/dbraw/zinc/58/50/72/988585072.db2.gz IWGIPQLVOBDQAD-MDFVCYEDSA-N 2 0 224.348 1.081 20 0 BDADRP C[C@H]1CC[C@H](n2cncc2C2CC[NH2+]CC2)C[NH2+]1 ZINC001246862809 988602214 /nfs/dbraw/zinc/60/22/14/988602214.db2.gz DSWFWFUJKMAJBI-AAEUAGOBSA-N 2 0 248.374 1.663 20 0 BDADRP CC[C@H]1CC[C@@H]([N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])C1 ZINC001246861093 988602635 /nfs/dbraw/zinc/60/26/35/988602635.db2.gz QKNUFLZNAUPLJE-UKIXVXPJSA-N 2 0 238.375 1.471 20 0 BDADRP C1CC1N(C1C[NH2+]C1)[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246861778 988604176 /nfs/dbraw/zinc/60/41/76/988604176.db2.gz DUEINCQLLLIUSH-HIFRSBDPSA-N 2 0 249.402 1.345 20 0 BDADRP [NH3+][C@@]12CC[C@@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC001246864164 988610597 /nfs/dbraw/zinc/61/05/97/988610597.db2.gz UOZZDIHPYSOAHC-UKRRQHHQSA-N 2 0 228.339 1.577 20 0 BDADRP C[C@@H]1C[C@@H]([NH+]2CC3(C2)CC[NH+](C)CC3)CC[NH2+]1 ZINC001246871860 988636991 /nfs/dbraw/zinc/63/69/91/988636991.db2.gz NYKBDOUHIUFJAO-OLZOCXBDSA-N 3 0 237.391 1.155 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](C)N1C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246883875 988649255 /nfs/dbraw/zinc/64/92/55/988649255.db2.gz PPIIMWMWUFVJCK-NNYUYHANSA-N 2 0 225.380 1.198 20 0 BDADRP CC(C)[C@H]1[NH2+]CCc2ncn(C3CC[NH2+]CC3)c21 ZINC001246882928 988651179 /nfs/dbraw/zinc/65/11/79/988651179.db2.gz KFAKUZBNVGIFRY-CYBMUJFWSA-N 2 0 248.374 1.650 20 0 BDADRP CC(C)[C@H]1C[C@H](N2[C@H](C)C[NH2+]C[C@H]2C)CC[NH2+]1 ZINC001246882107 988651335 /nfs/dbraw/zinc/65/13/35/988651335.db2.gz HGMDBBVNCINAQT-AAVRWANBSA-N 2 0 239.407 1.445 20 0 BDADRP CC(C)[C@@H]1CCC[N@@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246887312 988653997 /nfs/dbraw/zinc/65/39/97/988653997.db2.gz LJVJYMMMKJAFPV-STQMWFEESA-N 2 0 237.391 1.201 20 0 BDADRP C[NH2+]CC[C@H](C)[N@@H+]1CCc2cc(N)ccc2C1 ZINC001246890398 988660697 /nfs/dbraw/zinc/66/06/97/988660697.db2.gz ULTGNMNISWNIQY-NSHDSACASA-N 2 0 233.359 1.625 20 0 BDADRP CCCN([C@H]1C[NH2+][C@H](C)C1)C1CC[NH2+]CC1 ZINC001246893982 988665715 /nfs/dbraw/zinc/66/57/15/988665715.db2.gz MHHHIHVATDPFBH-DGCLKSJQSA-N 2 0 225.380 1.201 20 0 BDADRP CCC1([NH3+])CN([C@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246896703 988670048 /nfs/dbraw/zinc/67/00/48/988670048.db2.gz ZHZUNELCTJOATB-QWHCGFSZSA-N 2 0 237.391 1.332 20 0 BDADRP CC[C@@H]1C[C@H](N2CC([NH3+])(CC)C2)C[C@H](CC)[NH2+]1 ZINC001246900847 988676839 /nfs/dbraw/zinc/67/68/39/988676839.db2.gz IZXPVQQIBOLIIA-ITGUQSILSA-N 2 0 239.407 1.719 20 0 BDADRP C[C@@H]1C[C@@H](N(C2CC2)[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246905040 988681076 /nfs/dbraw/zinc/68/10/76/988681076.db2.gz KDQSDJFHTCQQCG-KWCYVHTRSA-N 2 0 237.391 1.343 20 0 BDADRP C1[NH2+]CC12C[C@H]([NH+]1C3CCCC1CCC3)CCN2 ZINC001246906668 988681968 /nfs/dbraw/zinc/68/19/68/988681968.db2.gz RNHYFRZZVJUHQR-JXQTWKCFSA-N 2 0 249.402 1.487 20 0 BDADRP CN([C@H]1CCCC[NH2+]C1)C1(C)CC[NH2+]CC1 ZINC001246909740 988691650 /nfs/dbraw/zinc/69/16/50/988691650.db2.gz KFBJWEZRPMMUAE-LBPRGKRZSA-N 2 0 225.380 1.202 20 0 BDADRP C1CC1N([C@H]1CCC[NH2+]C1)[C@H]1CCCC[NH2+]C1 ZINC001246911698 988699612 /nfs/dbraw/zinc/69/96/12/988699612.db2.gz DGXOYFCRRFDSQC-KBPBESRZSA-N 2 0 237.391 1.345 20 0 BDADRP C1CC1N(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCC[NH2+]C1 ZINC001246915051 988702047 /nfs/dbraw/zinc/70/20/47/988702047.db2.gz JYIBBTOGTYOUEE-ZDGFDOJISA-N 2 0 249.402 1.486 20 0 BDADRP CC[C@@H]1C[C@@H]([N@H+](C)CCO)C[C@H](CC)[NH2+]1 ZINC001246915952 988702441 /nfs/dbraw/zinc/70/24/41/988702441.db2.gz ZJRLMPSCWPUVLY-ZSBIGDGJSA-N 2 0 214.353 1.220 20 0 BDADRP C[C@@H]1CC[C@@H](N(C2CC2)[C@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001246913820 988707822 /nfs/dbraw/zinc/70/78/22/988707822.db2.gz HBVSEYXVYSSVPQ-KWCYVHTRSA-N 2 0 237.391 1.343 20 0 BDADRP CCCC[C@@H]1C[C@H](N2C[C@@H]3C[NH2+]C[C@@H]32)CC[NH2+]1 ZINC001246916482 988719646 /nfs/dbraw/zinc/71/96/46/988719646.db2.gz HUMIPWFNQHDXJU-DGAVXFQQSA-N 2 0 237.391 1.201 20 0 BDADRP CC(C)[C@H]1C[C@@H](N2CCC[C@@H]2C[NH3+])CC[NH2+]1 ZINC001246918880 988729019 /nfs/dbraw/zinc/72/90/19/988729019.db2.gz YCFJMRAGSGFDAH-YNEHKIRRSA-N 2 0 225.380 1.186 20 0 BDADRP CN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCC[C@@H]1[NH3+] ZINC001246923389 988734453 /nfs/dbraw/zinc/73/44/53/988734453.db2.gz WSLAZQVEAARYHE-AEBFUODCSA-N 2 0 237.391 1.471 20 0 BDADRP C1CC1[NH2+][C@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246924172 988754532 /nfs/dbraw/zinc/75/45/32/988754532.db2.gz ZIKFQQAVVBYHFM-MBOZISHXSA-N 2 0 249.402 1.486 20 0 BDADRP CCC[C@@H]1C[NH2+]CCN1[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246932536 988759635 /nfs/dbraw/zinc/75/96/35/988759635.db2.gz RGKOILYACVJVLE-XJFOESAGSA-N 2 0 237.391 1.343 20 0 BDADRP CCCN([C@H]1CC[NH2+]C1)C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246930366 988760510 /nfs/dbraw/zinc/76/05/10/988760510.db2.gz UQJLWJCHWGGOCS-UPJWGTAASA-N 2 0 239.407 1.589 20 0 BDADRP C1C[C@H]2C[C@@H]([N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)C[C@@H]1[NH2+]2 ZINC001246933173 988762591 /nfs/dbraw/zinc/76/25/91/988762591.db2.gz QVSJPJCLHRVHQX-OYQDBORRSA-N 3 0 249.402 1.201 20 0 BDADRP C[NH2+]CC[C@@H](C)[N@@H+]1CCc2c(N)cccc2C1 ZINC001246936723 988767359 /nfs/dbraw/zinc/76/73/59/988767359.db2.gz YJRUMFFSNIZFIX-LLVKDONJSA-N 2 0 233.359 1.625 20 0 BDADRP CC[C@@H]1C[C@H](N2CCC[C@H]([NH3+])[C@H]2C)CC[NH2+]1 ZINC001246935869 988767929 /nfs/dbraw/zinc/76/79/29/988767929.db2.gz CFDGOGFAFDFVSG-LPWJVIDDSA-N 2 0 225.380 1.329 20 0 BDADRP C[C@H]1CN([C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[C@H](C)[NH2+]1 ZINC001246943123 988773948 /nfs/dbraw/zinc/77/39/48/988773948.db2.gz KEWKSLCYQLQHMU-QSLWVIQJSA-N 2 0 237.391 1.342 20 0 BDADRP CC(C)N([C@@H]1CC[NH2+]C1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246959477 988779306 /nfs/dbraw/zinc/77/93/06/988779306.db2.gz IUHFRJMJIVMMIZ-JHJVBQTASA-N 2 0 225.380 1.199 20 0 BDADRP CC(C)N([C@@H]1CC[NH2+]C1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246959476 988783501 /nfs/dbraw/zinc/78/35/01/988783501.db2.gz IUHFRJMJIVMMIZ-FRRDWIJNSA-N 2 0 225.380 1.199 20 0 BDADRP C[NH2+]CC[C@H](C)N(CC(C)C)[C@@H]1CCC[NH2+]C1 ZINC001246953102 988786087 /nfs/dbraw/zinc/78/60/87/988786087.db2.gz PWISIFRJYKHONC-UONOGXRCSA-N 2 0 241.423 1.694 20 0 BDADRP C[NH2+]CCN([C@H]1CC[C@@H](C)[NH2+]C1)C(C)(C)C ZINC001246949856 988786942 /nfs/dbraw/zinc/78/69/42/988786942.db2.gz RAGWIOOLUAEMBY-NEPJUHHUSA-N 2 0 227.396 1.447 20 0 BDADRP C1CC1N([C@@H]1CC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246970253 988800805 /nfs/dbraw/zinc/80/08/05/988800805.db2.gz YRKUKUMKRBUQEK-QZGMINCNSA-N 2 0 235.375 1.096 20 0 BDADRP CCCN(C[C@@H]1CC[NH2+]C1)[C@H]1CCCC[NH2+]C1 ZINC001246973892 988803514 /nfs/dbraw/zinc/80/35/14/988803514.db2.gz JAUDEXSPOVAICZ-KGLIPLIRSA-N 2 0 239.407 1.450 20 0 BDADRP CC[C@H]([NH3+])CN(C)C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246973478 988806836 /nfs/dbraw/zinc/80/68/36/988806836.db2.gz JOYYHDRQHFSPJT-DCAQKATOSA-N 2 0 213.369 1.185 20 0 BDADRP C[C@H]([NH3+])CN(C)C1CC[NH+](CC2CC2)CC1 ZINC001246981871 988809486 /nfs/dbraw/zinc/80/94/86/988809486.db2.gz SMQUGKWJTYTVNB-NSHDSACASA-N 2 0 225.380 1.140 20 0 BDADRP CC(C)[N@@H+]1CCN([C@H]2CC[C@H](C)[NH2+]C2)C[C@@H]1C ZINC001246980770 988809677 /nfs/dbraw/zinc/80/96/77/988809677.db2.gz SMYFBYCJTRUOMJ-IHRRRGAJSA-N 2 0 239.407 1.541 20 0 BDADRP CC[N@H+]1C[C@H]2CN([C@@H]3CC[C@H](C)[NH2+]C3)C[C@H]2C1 ZINC001246979047 988811023 /nfs/dbraw/zinc/81/10/23/988811023.db2.gz LLRBQHMMXMGQQN-IGQOVBAYSA-N 2 0 237.391 1.010 20 0 BDADRP C1CC(N(C2CC[NH2+]CC2)[C@H]2CCC[NH2+]C2)C1 ZINC001246978714 988812643 /nfs/dbraw/zinc/81/26/43/988812643.db2.gz VMVAYACHDLIJGT-AWEZNQCLSA-N 2 0 237.391 1.345 20 0 BDADRP CO[C@@H]1C[N@@H+]([C@H](C)CCCC(C)C)C[C@@H]1N ZINC001246984131 988815191 /nfs/dbraw/zinc/81/51/91/988815191.db2.gz YIJAWQFRJWFAAT-FRRDWIJNSA-N 2 0 228.380 1.859 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N(C)C[C@H](C)[NH3+] ZINC001246982526 988816806 /nfs/dbraw/zinc/81/68/06/988816806.db2.gz XNACCOUHLURLCO-RYUDHWBXSA-N 2 0 215.385 1.386 20 0 BDADRP C[NH2+]CC[C@H](C)N(C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001246989040 988820450 /nfs/dbraw/zinc/82/04/50/988820450.db2.gz RTNVTFBTHULVBZ-JSGCOSHPSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H]1CC[C@H](N2CC[NH2+]C3=CCCC[C@H]32)C[NH2+]1 ZINC001246991802 988826529 /nfs/dbraw/zinc/82/65/29/988826529.db2.gz BZKFOJPVBXJVOT-MBNYWOFBSA-N 2 0 235.375 1.469 20 0 BDADRP CC[N@@H+]1CCN(C2CC[NH2+]CC2)C(C)(C)C1 ZINC001246994540 988828194 /nfs/dbraw/zinc/82/81/94/988828194.db2.gz PJHADTLECJAQKJ-UHFFFAOYSA-N 2 0 225.380 1.155 20 0 BDADRP COC(=O)[C@]1(C)CC[N@@H+]([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001247000382 988832089 /nfs/dbraw/zinc/83/20/89/988832089.db2.gz ICXCBLVSZAKXHT-NQBHXWOUSA-N 2 0 240.347 1.012 20 0 BDADRP C[C@@H]1C[C@H](N2CCC3(CC[C@H]3[NH3+])CC2)CC[NH2+]1 ZINC001247004833 988835191 /nfs/dbraw/zinc/83/51/91/988835191.db2.gz VPPHCTYEXXAGJQ-JHJVBQTASA-N 2 0 237.391 1.330 20 0 BDADRP C[C@@H]([NH3+])c1nc2cc(-n3ccnc3)c(F)cc2[nH]1 ZINC001247020071 988845432 /nfs/dbraw/zinc/84/54/32/988845432.db2.gz KRMHKLAYLYBJJN-SSDOTTSWSA-N 2 0 245.261 1.907 20 0 BDADRP C1C[C@H]2C[C@@H](N3CC[C@H]4[NH2+]CCC[C@H]4C3)C[C@@H]1[NH2+]2 ZINC001247016983 988845799 /nfs/dbraw/zinc/84/57/99/988845799.db2.gz ZLQNYRLSQZGNNV-VQJWOFKYSA-N 2 0 249.402 1.343 20 0 BDADRP CC(C)([NH3+])c1ccc(NC(=O)C(C)(C)C[NH3+])cc1 ZINC001514529836 988895047 /nfs/dbraw/zinc/89/50/47/988895047.db2.gz KGWLWPHGMAPCDH-UHFFFAOYSA-N 2 0 249.358 1.804 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)Nc1ccccc1C[NH3+] ZINC001514696541 988927338 /nfs/dbraw/zinc/92/73/38/988927338.db2.gz PQNCYOGUNWFWBB-ZYHUDNBSSA-N 2 0 247.342 1.329 20 0 BDADRP C(C[N@@H+]1CCCC2(CC[NH2+]CC2)C1)OC1CC1 ZINC001119539586 989141582 /nfs/dbraw/zinc/14/15/82/989141582.db2.gz BEHWMWUAUPEUMZ-UHFFFAOYSA-N 2 0 238.375 1.631 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+]C[C@@H]1CCOc2ccccc21 ZINC001325319558 989154814 /nfs/dbraw/zinc/15/48/14/989154814.db2.gz LNIXFOOGYOTYBD-STQMWFEESA-N 2 0 248.370 1.998 20 0 BDADRP C[N@H+]1C[C@H]2CN(Cc3ccc4n3CCC4)C[C@H]2C1 ZINC001248824230 989184589 /nfs/dbraw/zinc/18/45/89/989184589.db2.gz DRTSYJJSDXMOHF-BETUJISGSA-N 2 0 245.370 1.428 20 0 BDADRP C[C@@H]([NH3+])CN1CCC[C@H]1COC(C)(C)C ZINC001119607235 989233242 /nfs/dbraw/zinc/23/32/42/989233242.db2.gz ZGZDMSOQPQRPBT-MNOVXSKESA-N 2 0 214.353 1.613 20 0 BDADRP C[NH2+][C@@H](C)CC[NH2+]C1CCC(OC)CC1 ZINC001325718810 989237529 /nfs/dbraw/zinc/23/75/29/989237529.db2.gz UGTJWOQXWICQLH-UNXYVOJBSA-N 2 0 214.353 1.532 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC001326035213 989330994 /nfs/dbraw/zinc/33/09/94/989330994.db2.gz FTUKQIUKRFORRR-GRYCIOLGSA-N 2 0 214.353 1.532 20 0 BDADRP CC(=O)OC[C@H](C)[NH2+]CCC1CC[NH+](C)CC1 ZINC001120007854 989557676 /nfs/dbraw/zinc/55/76/76/989557676.db2.gz YSGKRWKXYAZUGU-NSHDSACASA-N 2 0 242.363 1.260 20 0 BDADRP CC[C@H]([NH2+]CC[C@@H](C)[NH2+]C)[C@@H]1CCOC1 ZINC001326474560 989572456 /nfs/dbraw/zinc/57/24/56/989572456.db2.gz YOSVKNFSHZDNIK-UTUOFQBUSA-N 2 0 214.353 1.389 20 0 BDADRP C[C@@H]([NH2+]CCc1ccc(N(C)C)cc1)C1C[NH2+]C1 ZINC001326458792 989569498 /nfs/dbraw/zinc/56/94/98/989569498.db2.gz KRUDHKNIZKABGC-GFCCVEGCSA-N 2 0 247.386 1.493 20 0 BDADRP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3cnc[nH]3)C[C@H]2C1 ZINC001120072145 989587684 /nfs/dbraw/zinc/58/76/84/989587684.db2.gz RSUBSCMTIFAMAF-OUCADQQQSA-N 2 0 248.374 1.572 20 0 BDADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC001326688534 989652098 /nfs/dbraw/zinc/65/20/98/989652098.db2.gz SOBVYCRYRQUVEM-SDDRHHMPSA-N 2 0 241.379 1.103 20 0 BDADRP CC(C)C[N@H+](C)CCC[NH2+]CC1(O)CCC1 ZINC001120503570 989688831 /nfs/dbraw/zinc/68/88/31/989688831.db2.gz UHPYLKMIRRVRJB-UHFFFAOYSA-N 2 0 228.380 1.469 20 0 BDADRP CC[C@H](O)C[NH2+]Cc1ccccc1C[NH+](C)C ZINC001120558793 989726062 /nfs/dbraw/zinc/72/60/62/989726062.db2.gz JYJYTTFMBWXEJI-AWEZNQCLSA-N 2 0 236.359 1.609 20 0 BDADRP C[C@H]([NH3+])CNC(=O)CCCCC1CC[NH2+]CC1 ZINC001521534515 989732627 /nfs/dbraw/zinc/73/26/27/989732627.db2.gz YAZUGCIWARBGCB-NSHDSACASA-N 2 0 241.379 1.010 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+]C[C@@H](O)C1CC1 ZINC001120569578 989739734 /nfs/dbraw/zinc/73/97/34/989739734.db2.gz BYNJXMYVYAFRPT-GFCCVEGCSA-N 2 0 214.353 1.077 20 0 BDADRP C[C@H](c1nc(C2([NH3+])CCC2)no1)n1ccnc1 ZINC001326979607 989792025 /nfs/dbraw/zinc/79/20/25/989792025.db2.gz TVKKLWNYPGSBKL-MRVPVSSYSA-N 2 0 233.275 1.213 20 0 BDADRP [NH3+]CCC(=O)NCCCCCC1CC[NH2+]CC1 ZINC001522639774 989868309 /nfs/dbraw/zinc/86/83/09/989868309.db2.gz NTXXCJBXHACJPG-UHFFFAOYSA-N 2 0 241.379 1.011 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001523524620 989927159 /nfs/dbraw/zinc/92/71/59/989927159.db2.gz DKDQSYIMKJBKFB-DGCLKSJQSA-N 2 0 241.379 1.152 20 0 BDADRP C[NH2+][C@@H](C)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC001523568430 989938686 /nfs/dbraw/zinc/93/86/86/989938686.db2.gz VYRCDJQURJIULR-VIFPVBQESA-N 2 0 235.331 1.427 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccccc1C[NH3+] ZINC001523617913 989940262 /nfs/dbraw/zinc/94/02/62/989940262.db2.gz YFXLOECYIKFNQH-NEPJUHHUSA-N 2 0 247.342 1.472 20 0 BDADRP C[NH2+]CCCCC(=O)NCc1ccc(C[NH3+])cc1 ZINC001122008104 990178702 /nfs/dbraw/zinc/17/87/02/990178702.db2.gz UPNWUYYSOVEJCR-UHFFFAOYSA-N 2 0 249.358 1.151 20 0 BDADRP CC(C)(C[NH3+])CC(=O)N1CCCC[C@@H]1CC[NH3+] ZINC001122018668 990188209 /nfs/dbraw/zinc/18/82/09/990188209.db2.gz SOOQHBDJSUIMFZ-LLVKDONJSA-N 2 0 241.379 1.091 20 0 BDADRP CC(C)C[C@@H]([NH3+])CC(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC001122047017 990203593 /nfs/dbraw/zinc/20/35/93/990203593.db2.gz JZXBPVZFMSSCEV-QJPTWQEYSA-N 2 0 241.379 1.088 20 0 BDADRP CC(C)C[C@@H]([NH3+])CC(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC001122047018 990206349 /nfs/dbraw/zinc/20/63/49/990206349.db2.gz JZXBPVZFMSSCEV-SDDRHHMPSA-N 2 0 241.379 1.088 20 0 BDADRP C[NH2+]CCCN(C)C(=O)[C@@](C)(C[NH3+])CC(C)C ZINC001122069292 990217519 /nfs/dbraw/zinc/21/75/19/990217519.db2.gz BGOZQHPFYLCPOA-CYBMUJFWSA-N 2 0 243.395 1.065 20 0 BDADRP CC(C)C[C@@](C)(C[NH3+])C(=O)N(C)CC(C)(C)[NH3+] ZINC001122135114 990252901 /nfs/dbraw/zinc/25/29/01/990252901.db2.gz FQXGOSCAFXDQPZ-ZDUSSCGKSA-N 2 0 243.395 1.193 20 0 BDADRP CN(CCCCCC[NH3+])C(=O)C1([NH+](C)C)CC1 ZINC001122208338 990293781 /nfs/dbraw/zinc/29/37/81/990293781.db2.gz LTWYJWPFIGCIDU-UHFFFAOYSA-N 2 0 241.379 1.058 20 0 BDADRP [NH3+]Cc1ccccc1NC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC001122346343 990351266 /nfs/dbraw/zinc/35/12/66/990351266.db2.gz PPJPANJTVBPBEQ-FZMZJTMJSA-N 2 0 245.326 1.083 20 0 BDADRP CC[NH+]1CCC(C[N@H+](CCO)C2CC2)CC1 ZINC001308609496 991056998 /nfs/dbraw/zinc/05/69/98/991056998.db2.gz QEAQTRVOPIEKDN-UHFFFAOYSA-N 2 0 226.364 1.175 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@]2(C)CCCCO2)C1 ZINC001308838316 991169712 /nfs/dbraw/zinc/16/97/12/991169712.db2.gz ISBZEEBDNTXHAH-MJBXVCDLSA-N 2 0 240.391 1.875 20 0 BDADRP CCC[N@H+](CCC[NH3+])[C@H](C)CCC(=O)OC ZINC001258346342 991271551 /nfs/dbraw/zinc/27/15/51/991271551.db2.gz BXKCOSMCJKDURY-LLVKDONJSA-N 2 0 230.352 1.389 20 0 BDADRP CC[N@H+]1C[C@H]2CN(Cc3ccc(C)nc3)C[C@H]2C1 ZINC001139933927 991427671 /nfs/dbraw/zinc/42/76/71/991427671.db2.gz YXBFJCVHYSVQHB-GASCZTMLSA-N 2 0 245.370 1.774 20 0 BDADRP CCOC(=O)CC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C)C1 ZINC001258477025 991450238 /nfs/dbraw/zinc/45/02/38/991450238.db2.gz YUSJAOQQWVGRAX-RYUDHWBXSA-N 2 0 242.363 1.260 20 0 BDADRP CCOC(=O)CC[C@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC001258483440 991452560 /nfs/dbraw/zinc/45/25/60/991452560.db2.gz HUGDJRZSIQVFJH-SRVKXCTJSA-N 2 0 242.363 1.578 20 0 BDADRP CCOC(=O)CC[C@H](C)[NH+]1CCC(C)([NH3+])CC1 ZINC001258482115 991454153 /nfs/dbraw/zinc/45/41/53/991454153.db2.gz QGXFPXSPYOCEBG-NSHDSACASA-N 2 0 242.363 1.531 20 0 BDADRP C[N@@H+]1CC[C@]2(CCN(Cc3ccnnc3)C2)C1 ZINC001139985826 991464615 /nfs/dbraw/zinc/46/46/15/991464615.db2.gz ZHIVADKQUPXOET-ZDUSSCGKSA-N 2 0 232.331 1.004 20 0 BDADRP C[C@H](Cc1cccnc1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC001258615162 991541383 /nfs/dbraw/zinc/54/13/83/991541383.db2.gz DEECSDMXUMHLEH-XBFCOCLRSA-N 2 0 233.359 1.872 20 0 BDADRP C[C@@H](Cc1cccnc1)[NH2+]C1CC([NH3+])C1 ZINC001258616710 991544843 /nfs/dbraw/zinc/54/48/43/991544843.db2.gz NTUKAWZMYQZRBS-GCVQQVDUSA-N 2 0 205.305 1.092 20 0 BDADRP C[C@H](Cc1cccnc1)[NH2+]C1CC([NH3+])C1 ZINC001258616729 991547630 /nfs/dbraw/zinc/54/76/30/991547630.db2.gz NTUKAWZMYQZRBS-OIKLOGQESA-N 2 0 205.305 1.092 20 0 BDADRP CCC[NH+]1CCC([NH2+]C(C)(C)COC)CC1 ZINC001258764804 991723331 /nfs/dbraw/zinc/72/33/31/991723331.db2.gz JGCXSCOVNHOHDY-UHFFFAOYSA-N 2 0 228.380 1.875 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@]2(C)CCOC2)CC1 ZINC001258770866 991730193 /nfs/dbraw/zinc/73/01/93/991730193.db2.gz SQNYOTYLKBXBLX-ZDUSSCGKSA-N 2 0 226.364 1.629 20 0 BDADRP CCC[NH+]1CCC([N@@H+]2CC[C@H](COC)C2)CC1 ZINC001258772723 991735910 /nfs/dbraw/zinc/73/59/10/991735910.db2.gz XTQATMCKYLURFV-ZDUSSCGKSA-N 2 0 240.391 1.829 20 0 BDADRP CCC[NH+]1CCC([N@@H+]2CC[C@@](C)(O)C2)CC1 ZINC001258772599 991738783 /nfs/dbraw/zinc/73/87/83/991738783.db2.gz UQLBLILWKGCKJF-CYBMUJFWSA-N 2 0 226.364 1.318 20 0 BDADRP CC[C@@H](C)C[C@@H](CC)[NH2+]CCN(C)CC[NH3+] ZINC001258783558 991756994 /nfs/dbraw/zinc/75/69/94/991756994.db2.gz FYPBKDSVHOMGCR-CHWSQXEVSA-N 2 0 229.412 1.681 20 0 BDADRP C[C@@H]1CCC[C@@H]([NH2+]CCSCC[NH3+])C1 ZINC001258815922 991830329 /nfs/dbraw/zinc/83/03/29/991830329.db2.gz VLFRDBKUARAEQI-GHMZBOCLSA-N 2 0 216.394 1.847 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C[C@H]1C[C@@H](O)C1 ZINC001258899896 991891941 /nfs/dbraw/zinc/89/19/41/991891941.db2.gz VTHZLTJLMNXWSA-MELADBBJSA-N 2 0 242.407 1.857 20 0 BDADRP CC[NH2+]C[C@@H](C)N(C)C(=O)CCCC[NH+](C)C ZINC001319563677 991892614 /nfs/dbraw/zinc/89/26/14/991892614.db2.gz WCBSGQAPCWFWHE-GFCCVEGCSA-N 2 0 243.395 1.175 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(O)CC1 ZINC001258908477 991901866 /nfs/dbraw/zinc/90/18/66/991901866.db2.gz WBHHGMLBMDAAJG-CYBMUJFWSA-N 2 0 242.407 1.954 20 0 BDADRP CC[C@H](C(=O)N[C@H](C)CC[NH2+]C(C)C)[NH+](C)C ZINC001320606430 992270495 /nfs/dbraw/zinc/27/04/95/992270495.db2.gz GLHANLGRHPSRFP-VXGBXAGGSA-N 2 0 243.395 1.219 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+]CC2(OC)CCC2)C1 ZINC001262008497 992593347 /nfs/dbraw/zinc/59/33/47/992593347.db2.gz OOKAOYVHTSNLJH-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N1CCC([NH3+])(CC)CC1 ZINC001262043914 992630299 /nfs/dbraw/zinc/63/02/99/992630299.db2.gz LVWPLNBVABZYKZ-LBPRGKRZSA-N 2 0 241.379 1.234 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](Cc2cccc3c[nH]nc32)C1 ZINC001262487786 992892912 /nfs/dbraw/zinc/89/29/12/992892912.db2.gz FZUOTMYAFDSYPD-NSHDSACASA-N 2 0 244.342 1.734 20 0 BDADRP C([NH2+][C@]12CCC[C@H]1OCC2)[C@H]1CCC[NH2+]C1 ZINC001574801805 992913095 /nfs/dbraw/zinc/91/30/95/992913095.db2.gz XIOOJVXPQURVOO-XQQFMLRXSA-N 2 0 224.348 1.287 20 0 BDADRP C1[NH2+]CC12C[C@@H]([NH2+][C@@H]1C[C@@H]3CC[C@@H](C3)C1)CO2 ZINC001574816482 992918425 /nfs/dbraw/zinc/91/84/25/992918425.db2.gz FZIGBCYUZPEVHM-YVECIDJPSA-N 2 0 236.359 1.286 20 0 BDADRP CC(=O)OC[C@@H](C)[NH2+]CC[C@H]1CCC[NH2+]CC1 ZINC001575029856 992966813 /nfs/dbraw/zinc/96/68/13/992966813.db2.gz RBAKENZNMSRTQO-YPMHNXCESA-N 2 0 242.363 1.307 20 0 BDADRP CC(C)(C)[C@H](CN)[NH2+]Cc1cc[nH]c(=O)c1 ZINC001575107521 992990266 /nfs/dbraw/zinc/99/02/66/992990266.db2.gz DIDRROYNDOXWLH-JTQLQIEISA-N 2 0 223.320 1.250 20 0 BDADRP CC(C)(C)CC[C@@H](CO)[NH2+]CC1(C[NH3+])CC1 ZINC001575131803 992993068 /nfs/dbraw/zinc/99/30/68/992993068.db2.gz WUPWHYBFPCILEH-NSHDSACASA-N 2 0 228.380 1.502 20 0 BDADRP CC(C)(C[NH3+])C[NH2+]C[C@H](CO)Cc1ccoc1 ZINC001575315702 993003490 /nfs/dbraw/zinc/00/34/90/993003490.db2.gz WITQPYYSELKLJL-GFCCVEGCSA-N 2 0 240.347 1.005 20 0 BDADRP CC(C)(C[NH3+])C[N@@H+]1CCc2cc(O)ccc2C1 ZINC001575315427 993009348 /nfs/dbraw/zinc/00/93/48/993009348.db2.gz PCZORGVFJKBMQM-UHFFFAOYSA-N 2 0 234.343 1.735 20 0 BDADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1cc[nH+]cc1 ZINC001262686404 993027986 /nfs/dbraw/zinc/02/79/86/993027986.db2.gz IVPZJJQCKCSVPF-GWCFXTLKSA-N 2 0 217.316 1.398 20 0 BDADRP CC(C)[C@H](C[NH3+])C[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC001575423832 993039697 /nfs/dbraw/zinc/03/96/97/993039697.db2.gz YVLIYFWFRFWLAF-MQYQWHSLSA-N 2 0 240.391 1.765 20 0 BDADRP CC(C)[C@H](C[NH3+])C[NH2+][C@@H](CO)CC1CCC1 ZINC001575423492 993039974 /nfs/dbraw/zinc/03/99/74/993039974.db2.gz VLZNXFGIPYAAQX-CHWSQXEVSA-N 2 0 228.380 1.358 20 0 BDADRP CC(C)[C@@H]([NH2+]C1CC([NH3+])C1)[C@@H](CO)C(C)C ZINC001575431621 993041032 /nfs/dbraw/zinc/04/10/32/993041032.db2.gz DGIZWPOESDXKJE-IFWUJCSASA-N 2 0 228.380 1.355 20 0 BDADRP CC(C)[C@H](CO)[C@@H]([NH2+]C1CC([NH3+])C1)C(C)C ZINC001575431626 993042003 /nfs/dbraw/zinc/04/20/03/993042003.db2.gz DGIZWPOESDXKJE-TYUFSLCMSA-N 2 0 228.380 1.355 20 0 BDADRP CC(C)[C@@H](O)CC[NH2+][C@](C)(CN)C(C)C ZINC001575473635 993053999 /nfs/dbraw/zinc/05/39/99/993053999.db2.gz VXZVVSBKMRWQTP-NWDGAFQWSA-N 2 0 216.369 1.356 20 0 BDADRP CC(C)C1(O)CC[NH+](C[C@@]23C[C@@H]2C[NH2+]C3)CC1 ZINC001575496513 993057643 /nfs/dbraw/zinc/05/76/43/993057643.db2.gz PCPCHQNIPAGNSX-OLZOCXBDSA-N 2 0 238.375 1.079 20 0 BDADRP CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@]1(O)CC[NH2+]C1 ZINC001575499837 993058382 /nfs/dbraw/zinc/05/83/82/993058382.db2.gz YCUNDKUPIOCRLD-XQQFMLRXSA-N 2 0 226.364 1.125 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)CCO1 ZINC001575498432 993059039 /nfs/dbraw/zinc/05/90/39/993059039.db2.gz JPXLFXIBOOCRHN-DGAVXFQQSA-N 2 0 240.391 1.907 20 0 BDADRP CC(C)CC[C@H](CO)[NH2+][C@@H](C)C[C@H]1CCC[NH2+]1 ZINC001575555331 993071958 /nfs/dbraw/zinc/07/19/58/993071958.db2.gz RMQHAEBXYDNTPP-BFHYXJOUSA-N 2 0 242.407 1.904 20 0 BDADRP CC(C)CC[C@H](C)[NH2+]C[C@@]1(O)CC[NH2+]C1 ZINC001575555689 993073245 /nfs/dbraw/zinc/07/32/45/993073245.db2.gz SNFGMNUVXCEYAJ-NWDGAFQWSA-N 2 0 214.353 1.125 20 0 BDADRP CC(C)N(C)C[C@H](C)[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001575689580 993093866 /nfs/dbraw/zinc/09/38/66/993093866.db2.gz RLJPEBRGQHUCPZ-QCXCNERSSA-N 2 0 225.380 1.185 20 0 BDADRP CC(C)[C@H](CO)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001575831313 993109760 /nfs/dbraw/zinc/10/97/60/993109760.db2.gz KEMCIZXTJKPRCU-WVMKXHBISA-N 2 0 226.364 1.124 20 0 BDADRP C[C@@H](NC(=O)[C@H]([NH3+])C1CCCCCC1)[C@H](C)[NH3+] ZINC001263110468 993120322 /nfs/dbraw/zinc/12/03/22/993120322.db2.gz WVHCZTIAAPZXHS-HOSYDEDBSA-N 2 0 241.379 1.136 20 0 BDADRP CC(C)(CC[NH3+])NC(=O)c1ccc(CC[NH3+])cc1 ZINC001263130832 993127931 /nfs/dbraw/zinc/12/79/31/993127931.db2.gz GDAQYTMSOSXIPP-UHFFFAOYSA-N 2 0 249.358 1.045 20 0 BDADRP C[C@H](CC(C)(C)O)[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001575932099 993129573 /nfs/dbraw/zinc/12/95/73/993129573.db2.gz OEINLWDMHZOALT-HUXNSBQSSA-N 2 0 212.337 1.005 20 0 BDADRP C[C@@H](C[C@H]1CCOC1)[NH2+]CC1CC[NH2+]CC1 ZINC001575941175 993133368 /nfs/dbraw/zinc/13/33/68/993133368.db2.gz LFXXYSFNHZNBOT-WCQYABFASA-N 2 0 226.364 1.391 20 0 BDADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H](C)CC[NH+](C)C ZINC001575951943 993135811 /nfs/dbraw/zinc/13/58/11/993135811.db2.gz AISZGYGAFSIINT-AAEUAGOBSA-N 2 0 243.395 1.064 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)CCn1cccn1 ZINC001575943477 993136251 /nfs/dbraw/zinc/13/62/51/993136251.db2.gz XCSNWVOEWQAQPR-CHWSQXEVSA-N 2 0 238.379 1.769 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)CCn1cccn1 ZINC001575943482 993136393 /nfs/dbraw/zinc/13/63/93/993136393.db2.gz XCSNWVOEWQAQPR-STQMWFEESA-N 2 0 238.379 1.769 20 0 BDADRP C[C@@H](CCc1ccccc1)[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC001575966925 993143498 /nfs/dbraw/zinc/14/34/98/993143498.db2.gz TUSPQBAYUUARKL-NWANDNLSSA-N 2 0 248.370 1.178 20 0 BDADRP C[C@@H](CC[NH3+])[NH2+]Cc1cc(-c2ccccn2)n[nH]1 ZINC001575962787 993143873 /nfs/dbraw/zinc/14/38/73/993143873.db2.gz XUAQGIIOQMYIGH-JTQLQIEISA-N 2 0 245.330 1.299 20 0 BDADRP C[C@@H]([NH3+])CN1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC001576157454 993195940 /nfs/dbraw/zinc/19/59/40/993195940.db2.gz RCQZVHAJRVNEBF-VHDGCEQUSA-N 2 0 248.370 1.432 20 0 BDADRP C[C@@H]([NH3+])CN1CC[N@H+](C2CCCC2)[C@H](C)C1 ZINC001576157158 993196722 /nfs/dbraw/zinc/19/67/22/993196722.db2.gz OFJAZHXMSIDRAY-VXGBXAGGSA-N 2 0 225.380 1.282 20 0 BDADRP C[C@@H]([NH2+]C(C)(C)C[NH3+])[C@H]1CCCCO1 ZINC001576234348 993221806 /nfs/dbraw/zinc/22/18/06/993221806.db2.gz WCAFLTIWYIKDHS-NXEZZACHSA-N 2 0 200.326 1.271 20 0 BDADRP C[C@H]([NH2+]C1CC2(C[C@@H]2[NH3+])C1)[C@@H]1CCCOC1 ZINC001576239923 993224626 /nfs/dbraw/zinc/22/46/26/993224626.db2.gz UCGTVCKVEUHMHI-SZQBSXBZSA-N 2 0 224.348 1.271 20 0 BDADRP C[C@@H]([NH2+]C1CC2(CC([NH3+])C2)C1)[C@H]1CCCO1 ZINC001576238005 993225727 /nfs/dbraw/zinc/22/57/27/993225727.db2.gz BUBSJWTVLWMINZ-IELNECDZSA-N 2 0 224.348 1.413 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CC[C@@H]([NH3+])C1)[C@@H]1CCCOC1 ZINC001576243918 993229023 /nfs/dbraw/zinc/22/90/23/993229023.db2.gz GZPSWXSJZBELQE-WUHRBBMRSA-N 2 0 226.364 1.519 20 0 BDADRP CC(C)N1CC(N[C@H]2CCC[N@H+](C)CC2)C1 ZINC000379228582 993232931 /nfs/dbraw/zinc/23/29/31/993232931.db2.gz YCEZQBIENSGRNM-LBPRGKRZSA-N 2 0 225.380 1.153 20 0 BDADRP C[C@@H](O)[C@H]1CCCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC001576268736 993239916 /nfs/dbraw/zinc/23/99/16/993239916.db2.gz FPHHUUZGAJFFCB-FVCCEPFGSA-N 2 0 226.364 1.077 20 0 BDADRP COC[C@H](C)[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC000379581625 993258396 /nfs/dbraw/zinc/25/83/96/993258396.db2.gz KWURKAQCAJXSRR-WDEREUQCSA-N 2 0 200.326 1.082 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1ccc2c[nH]nc2c1 ZINC001576380281 993286128 /nfs/dbraw/zinc/28/61/28/993286128.db2.gz MLAOSNRUNMXPEK-CHWSQXEVSA-N 2 0 244.342 1.778 20 0 BDADRP CC1(C)C[C@@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)CO1 ZINC001576392885 993295225 /nfs/dbraw/zinc/29/52/25/993295225.db2.gz AGSLEDXPAUIKDL-HBNTYKKESA-N 2 0 212.337 1.271 20 0 BDADRP C[C@@]1(CCCO)CCC[N@@H+]1CCC[NH2+]C1CC1 ZINC001576500949 993321485 /nfs/dbraw/zinc/32/14/85/993321485.db2.gz ONFDWGTZUIVRSU-AWEZNQCLSA-N 2 0 240.391 1.756 20 0 BDADRP C[C@]1(C[NH+]2CCC3(CC[NH2+]3)CC2)CCCCO1 ZINC001576502633 993324847 /nfs/dbraw/zinc/32/48/47/993324847.db2.gz DFYHSGGAWQJCTC-CYBMUJFWSA-N 2 0 238.375 1.774 20 0 BDADRP C[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H]2CO)CC[NH2+]1 ZINC001576596882 993362072 /nfs/dbraw/zinc/36/20/72/993362072.db2.gz BLQQEUQLYRFSMZ-WUHRBBMRSA-N 2 0 226.364 1.125 20 0 BDADRP C[C@@H]1C[C@@H](CO)C[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001576596866 993362095 /nfs/dbraw/zinc/36/20/95/993362095.db2.gz BEFKNWCDHXYQAJ-YVECIDJPSA-N 2 0 226.364 1.064 20 0 BDADRP CC[NH+](CC)C[C@@H](O)C[N@H+](C)CC1CCC1 ZINC000381034163 993362588 /nfs/dbraw/zinc/36/25/88/993362588.db2.gz DWPNMDLAXPXXPY-ZDUSSCGKSA-N 2 0 228.380 1.421 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+]CC2)CO1 ZINC001576622624 993372860 /nfs/dbraw/zinc/37/28/60/993372860.db2.gz FUDWTHCBQCOMOS-WOPDTQHZSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)CCO1 ZINC001576624998 993374127 /nfs/dbraw/zinc/37/41/27/993374127.db2.gz VQSJUNKADDXNPP-IJLUTSLNSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)CCO1 ZINC001576625429 993376538 /nfs/dbraw/zinc/37/65/38/993376538.db2.gz YXSOQYNTUHPGEQ-WRWGMCAJSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@H](Cc1ccno1)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC001576625571 993377028 /nfs/dbraw/zinc/37/70/28/993377028.db2.gz ZUAKFEAJVNJVRI-MXWKQRLJSA-N 2 0 223.320 1.336 20 0 BDADRP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@H](C)C1 ZINC000381243531 993381858 /nfs/dbraw/zinc/38/18/58/993381858.db2.gz MPQBUQRLVBTQPD-STQMWFEESA-N 2 0 228.380 1.421 20 0 BDADRP C[C@@H]1CC[C@@](CO)([N@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC001576650835 993384623 /nfs/dbraw/zinc/38/46/23/993384623.db2.gz NOKWBISHSBNCDO-YIYPIFLZSA-N 2 0 240.391 1.325 20 0 BDADRP C[C@@H]1CC[C@@](CO)([N@H+](C)CCCCCC[NH3+])C1 ZINC001576652796 993384739 /nfs/dbraw/zinc/38/47/39/993384739.db2.gz YUKFBHWIVMAPMJ-ZIAGYGMSSA-N 2 0 242.407 1.988 20 0 BDADRP C[C@@H]1CCCN1CC[NH2+]Cc1cccc(C[NH3+])c1 ZINC001576712562 993399834 /nfs/dbraw/zinc/39/98/34/993399834.db2.gz CNIYNJBITWGJLM-CYBMUJFWSA-N 2 0 247.386 1.719 20 0 BDADRP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC[C@H]1CCC[N@@H+]1C ZINC001576750092 993415097 /nfs/dbraw/zinc/41/50/97/993415097.db2.gz VGOAHIBOAQYHEQ-XQHKEYJVSA-N 2 0 225.380 1.057 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCC[NH2+]C2)C[C@]1(C)CO ZINC001576800576 993423222 /nfs/dbraw/zinc/42/32/22/993423222.db2.gz KHOQLFUDCWQQGV-MGPQQGTHSA-N 2 0 240.391 1.326 20 0 BDADRP C[C@@H]1C[N@H+](C[C@]2(O)CC[NH2+]C2)CC(C)(C)C1 ZINC001576799780 993424888 /nfs/dbraw/zinc/42/48/88/993424888.db2.gz CNZPXQFCLVDGIT-AAEUAGOBSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H]1C[NH+](C[C@H]2CC[C@@H]([NH3+])C2)C[C@@H](C)C1O ZINC001576806546 993427457 /nfs/dbraw/zinc/42/74/57/993427457.db2.gz HROYJPSMUKFMEK-WISYIIOYSA-N 2 0 226.364 1.063 20 0 BDADRP C[C@H]1C[NH+](C[C@H]2CC[C@@H]([NH3+])C2)C[C@H](C)C1O ZINC001576806544 993428971 /nfs/dbraw/zinc/42/89/71/993428971.db2.gz HROYJPSMUKFMEK-FIQHERPVSA-N 2 0 226.364 1.063 20 0 BDADRP C[C@@H]1C[N@H+](CC23CC(C)(C2)OC3)CC[C@H]1[NH3+] ZINC001576801685 993429063 /nfs/dbraw/zinc/42/90/63/993429063.db2.gz SWVNYJYLQZXZOL-OKZRHMCRSA-N 2 0 224.348 1.225 20 0 BDADRP C[C@H]1C[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C[C@@]1(C)CO ZINC001576807429 993429127 /nfs/dbraw/zinc/42/91/27/993429127.db2.gz PWPAVUUGMNMRNC-RVMXOQNASA-N 2 0 226.364 1.064 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC001576903535 993450926 /nfs/dbraw/zinc/45/09/26/993450926.db2.gz LNCCFRWYECEAJP-LOWDOPEQSA-N 2 0 224.348 1.286 20 0 BDADRP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001576903347 993451550 /nfs/dbraw/zinc/45/15/50/993451550.db2.gz IIOQIURMAHRXEV-WHSFUNPISA-N 2 0 224.348 1.268 20 0 BDADRP C[C@@H]1SCC[C@H]1[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001576913931 993452563 /nfs/dbraw/zinc/45/25/63/993452563.db2.gz MHARIURTGSLIID-YJPZDHHCSA-N 2 0 212.362 1.350 20 0 BDADRP Cc1c(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)cnn1C ZINC000382511222 993462122 /nfs/dbraw/zinc/46/21/22/993462122.db2.gz YXMLSPKRKBSANE-LBPRGKRZSA-N 2 0 236.363 1.289 20 0 BDADRP CC[C@H](C)[C@@H](C[N@H+](C)CCC[NH2+]C)OC ZINC001576960480 993468711 /nfs/dbraw/zinc/46/87/11/993468711.db2.gz DVXJZADGRIWVGR-NWDGAFQWSA-N 2 0 216.369 1.589 20 0 BDADRP CC[C@H](C)C[C@H](CO)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC001576969362 993472307 /nfs/dbraw/zinc/47/23/07/993472307.db2.gz BJFUVWAGQMVUBF-UMSGYPCISA-N 2 0 240.391 1.643 20 0 BDADRP CC[C@H](C)C[C@@H](CO)[NH2+]CC1(C[NH3+])CC1 ZINC001576972545 993477439 /nfs/dbraw/zinc/47/74/39/993477439.db2.gz WAVPFNSPJUDPLW-QWRGUYRKSA-N 2 0 214.353 1.112 20 0 BDADRP CCC(CC)(C[NH3+])C[NH2+]CCC(C)(C)O ZINC001577051899 993489695 /nfs/dbraw/zinc/48/96/95/993489695.db2.gz FGRUBYZPAOHLMJ-UHFFFAOYSA-N 2 0 216.369 1.502 20 0 BDADRP CCC(CC)(C[NH3+])C[NH2+]C[C@H](O)C1CC1 ZINC001577051924 993490344 /nfs/dbraw/zinc/49/03/44/993490344.db2.gz GOZQBZBCHXMUMA-NSHDSACASA-N 2 0 214.353 1.112 20 0 BDADRP C[C@@H]1CN(C2CC[NH+](C3CC3)CC2)C[C@H](C)[NH2+]1 ZINC000383784869 993516834 /nfs/dbraw/zinc/51/68/34/993516834.db2.gz PUYWOELVPZBHAW-TXEJJXNPSA-N 2 0 237.391 1.295 20 0 BDADRP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@H](C)C[C@H]1C ZINC000384000677 993534465 /nfs/dbraw/zinc/53/44/65/993534465.db2.gz OLLAPCJVVJXYOE-MJBXVCDLSA-N 2 0 242.407 1.810 20 0 BDADRP CC[C@]1(C)C[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)CCO1 ZINC001577208864 993548400 /nfs/dbraw/zinc/54/84/00/993548400.db2.gz NOBOUIAPQOVIKP-BFHYXJOUSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)CO1 ZINC001577240360 993553283 /nfs/dbraw/zinc/55/32/83/993553283.db2.gz FUUXYMURMQKHBL-IRCOFANPSA-N 2 0 212.337 1.271 20 0 BDADRP CC[C@H]1[C@H](CO)CC[N@@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001577240401 993555382 /nfs/dbraw/zinc/55/53/82/993555382.db2.gz GJAXRDSFZYSUFL-RVMXOQNASA-N 2 0 226.364 1.207 20 0 BDADRP CC[C@H]1[C@@H](CO)CC[N@@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001577240400 993557033 /nfs/dbraw/zinc/55/70/33/993557033.db2.gz GJAXRDSFZYSUFL-LOWDOPEQSA-N 2 0 226.364 1.207 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N1CC[C@@H]([N@H+](C)CC)C1 ZINC001577328614 993599837 /nfs/dbraw/zinc/59/98/37/993599837.db2.gz UGEBTIWZEXQEMH-YPMHNXCESA-N 2 0 241.379 1.057 20 0 BDADRP CCC[C@H](O)C[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC001577368920 993619222 /nfs/dbraw/zinc/61/92/22/993619222.db2.gz LTHJJMCRQMQVBL-RYUDHWBXSA-N 2 0 214.353 1.351 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)[C@H](C)CC[NH+](C)C ZINC001577390369 993637164 /nfs/dbraw/zinc/63/71/64/993637164.db2.gz LFICJRNYMHZZFS-NEPJUHHUSA-N 2 0 243.395 1.208 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)C[N@H+](C)C1CCC1 ZINC001577390795 993637903 /nfs/dbraw/zinc/63/79/03/993637903.db2.gz XIOSOYCAZNHEMU-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP CCCC[C@H](C(=O)OC)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC001577387950 993638255 /nfs/dbraw/zinc/63/82/55/993638255.db2.gz CNOHTNBKUHXDFD-NWDGAFQWSA-N 2 0 242.363 1.389 20 0 BDADRP CCCCN(C)C[C@H](C)[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001577447497 993661566 /nfs/dbraw/zinc/66/15/66/993661566.db2.gz HGVYGRULECMRQY-RJZJGCCBSA-N 2 0 239.407 1.576 20 0 BDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)[NH2+]CC ZINC001577444548 993662648 /nfs/dbraw/zinc/66/26/48/993662648.db2.gz AKGBIQRHQHKFFU-NEPJUHHUSA-N 2 0 243.395 1.221 20 0 BDADRP CCCN(CC[NH+](CC)CC)C(=O)[C@H](C)C[NH3+] ZINC001577519858 993682010 /nfs/dbraw/zinc/68/20/10/993682010.db2.gz YGGVYWHTINWCTJ-GFCCVEGCSA-N 2 0 243.395 1.162 20 0 BDADRP CCCOC(=O)[C@@H](C)[N@H+](C)CC1CC[NH2+]CC1 ZINC001577574870 993691982 /nfs/dbraw/zinc/69/19/82/993691982.db2.gz WVXWCNZZFBYKRM-LLVKDONJSA-N 2 0 242.363 1.260 20 0 BDADRP CC[N@H+](C)[C@H]1CCN(C[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC001577654716 993706703 /nfs/dbraw/zinc/70/67/03/993706703.db2.gz GUIVDPCXFVXWEO-QWRGUYRKSA-N 2 0 247.333 1.010 20 0 BDADRP CC[N@H+](CC(=O)NCC([NH3+])(CC)CC)C1CC1 ZINC001577663434 993713309 /nfs/dbraw/zinc/71/33/09/993713309.db2.gz SKNKPLRTHOGFFH-UHFFFAOYSA-N 2 0 241.379 1.104 20 0 BDADRP CCCC[C@H](C)[NH2+]CCSCC[NH3+] ZINC000389702078 993761312 /nfs/dbraw/zinc/76/13/12/993761312.db2.gz JQFWGJHQVLDUAU-JTQLQIEISA-N 2 0 204.383 1.847 20 0 BDADRP CC[C@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](CC)CC ZINC000390599917 993798763 /nfs/dbraw/zinc/79/87/63/993798763.db2.gz VQKCXHLYTQBIQH-STQMWFEESA-N 2 0 228.380 1.564 20 0 BDADRP C[C@@H]1C[C@@H](N2CCC([NH+]3CCC3)CC2)CC[NH2+]1 ZINC000700401580 993834932 /nfs/dbraw/zinc/83/49/32/993834932.db2.gz VTLYEPMLFMQSLP-OCCSQVGLSA-N 2 0 237.391 1.297 20 0 BDADRP CC[C@H](C)C[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C ZINC001265818990 993951541 /nfs/dbraw/zinc/95/15/41/993951541.db2.gz WVCIDJWIYQVBFT-RYUDHWBXSA-N 2 0 243.395 1.079 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC000702217695 993971731 /nfs/dbraw/zinc/97/17/31/993971731.db2.gz XBJVYZZQRKFBSC-UTLUCORTSA-N 2 0 200.326 1.127 20 0 BDADRP CCOC(C)(C)C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC000702665519 994031862 /nfs/dbraw/zinc/03/18/62/994031862.db2.gz YRGAJGOXYZUFFC-OLZOCXBDSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@H](C(=O)NC[C@H](C)[N@H+](C)C(C)C)[NH+](C)C ZINC001282413816 994231519 /nfs/dbraw/zinc/23/15/19/994231519.db2.gz TWHRGGUKBUPQQD-NWDGAFQWSA-N 2 0 243.395 1.172 20 0 BDADRP Cc1cc(N[C@H]2CCCC[C@H]2[NH+](C)C)nc(N)[nH+]1 ZINC001333601753 994484388 /nfs/dbraw/zinc/48/43/88/994484388.db2.gz JZQHQMCYQHPPPX-WDEREUQCSA-N 2 0 249.362 1.652 20 0 BDADRP C[NH+](C)CC1CC[NH+](CC2=NOCC2)CC1 ZINC001307416420 995352193 /nfs/dbraw/zinc/35/21/93/995352193.db2.gz WJEGGGQXNLRMGD-UHFFFAOYSA-N 2 0 225.336 1.036 20 0 BDADRP CCN1C[C@@H](C)[C@H]([NH2+][C@@H]2CCO[C@@H]2C)C1 ZINC000378685712 346808060 /nfs/dbraw/zinc/80/80/60/346808060.db2.gz DROXZQAYZMKXPP-DDHJBXDOSA-N 2 0 212.337 1.094 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000161563064 349473243 /nfs/dbraw/zinc/47/32/43/349473243.db2.gz ZYIPPUXKDDEGAL-VXGBXAGGSA-N 2 0 228.380 1.872 20 0 BDADRP CC[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000563201402 398146584 /nfs/dbraw/zinc/14/65/84/398146584.db2.gz UDIVDUDBZVDEGY-QJPTWQEYSA-N 2 0 241.379 1.103 20 0 BDADRP C[C@@H]([NH2+]Cc1ccc2c[nH+]cn2c1)[C@H](C)O ZINC000518519350 398146813 /nfs/dbraw/zinc/14/68/13/398146813.db2.gz RHGYTMJCKQGJMK-ZJUUUORDSA-N 2 0 219.288 1.193 20 0 BDADRP CCO[C@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000161965703 538920199 /nfs/dbraw/zinc/92/01/99/538920199.db2.gz YMVWZCYQOGVULW-KBPBESRZSA-N 2 0 240.391 1.972 20 0 BDADRP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)on1 ZINC000130880820 178007907 /nfs/dbraw/zinc/00/79/07/178007907.db2.gz AIHQDCGVYRSLOW-UHTWSYAYSA-N 2 0 235.331 1.542 20 0 BDADRP C[C@H](CCO)[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000649869709 398155643 /nfs/dbraw/zinc/15/56/43/398155643.db2.gz KJFLMZISFSGHIS-VXGBXAGGSA-N 2 0 214.353 1.173 20 0 BDADRP C[C@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C(C)(C)C ZINC000379841934 398173950 /nfs/dbraw/zinc/17/39/50/398173950.db2.gz DEFMTCJKDMAKNV-UTUOFQBUSA-N 2 0 210.365 1.820 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC1([C@H](C)CCO)CCC1 ZINC000423019854 398161000 /nfs/dbraw/zinc/16/10/00/398161000.db2.gz XLUSTZMQCUQUIU-FRRDWIJNSA-N 2 0 242.407 1.891 20 0 BDADRP C[C@H]([NH2+][C@@H](CO)CC1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000423023698 398163042 /nfs/dbraw/zinc/16/30/42/398163042.db2.gz KELJSRRPHJMFFE-IACUBPJLSA-N 2 0 240.391 1.515 20 0 BDADRP COCCC[C@H](C)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423326983 398166333 /nfs/dbraw/zinc/16/63/33/398166333.db2.gz KWOAFVMFGQFGOM-LBPRGKRZSA-N 2 0 228.380 1.781 20 0 BDADRP Cc1cc(N(C)CC[N@H+](C)C2CC2)cc[nH+]1 ZINC000274758213 178098152 /nfs/dbraw/zinc/09/81/52/178098152.db2.gz JNBQMVXUVOVWGH-UHFFFAOYSA-N 2 0 219.332 1.920 20 0 BDADRP Cc1cncc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000386208580 398199926 /nfs/dbraw/zinc/19/99/26/398199926.db2.gz MLAFOMVLRNNNHH-GASCZTMLSA-N 2 0 245.370 1.821 20 0 BDADRP CCN(CC[NH2+][C@@H](C)CCCC[NH3+])C1CC1 ZINC000309417997 398195136 /nfs/dbraw/zinc/19/51/36/398195136.db2.gz WLADLSLTJQRNSZ-LBPRGKRZSA-N 2 0 227.396 1.578 20 0 BDADRP Cc1cc(C)n(CC[NH2+][C@](C)(C[NH3+])C2CC2)n1 ZINC000649410448 398209496 /nfs/dbraw/zinc/20/94/96/398209496.db2.gz BLZWDYBBZPICFY-CYBMUJFWSA-N 2 0 236.363 1.217 20 0 BDADRP CN(CC[NH+]1CCC(C)([NH3+])CC1)c1ccccc1 ZINC000649415933 398216184 /nfs/dbraw/zinc/21/61/84/398216184.db2.gz BPLMYFKSUPGXNI-UHFFFAOYSA-N 2 0 247.386 1.936 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC000576346978 365573689 /nfs/dbraw/zinc/57/36/89/365573689.db2.gz VKJMUXGFLQAORI-UPJWGTAASA-N 3 0 225.380 1.045 20 0 BDADRP CC[C@@H](NCCC[NH2+]C(C)C)[C@@H]1CCC[NH2+]1 ZINC000576386736 365581438 /nfs/dbraw/zinc/58/14/38/365581438.db2.gz VBTAAOVKLBADEQ-OLZOCXBDSA-N 2 0 227.396 1.495 20 0 BDADRP c1nc(C2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)c[nH]1 ZINC000649413624 398212074 /nfs/dbraw/zinc/21/20/74/398212074.db2.gz SMDUEBMMQURJHA-NSHDSACASA-N 3 0 234.347 1.199 20 0 BDADRP c1ccc([C@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]C2)nc1 ZINC000649411671 398212855 /nfs/dbraw/zinc/21/28/55/398212855.db2.gz PWIZTKUDHSGLQK-TZMCWYRMSA-N 2 0 231.343 1.828 20 0 BDADRP CC[C@@H]([NH3+])C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000576450960 365598301 /nfs/dbraw/zinc/59/83/01/365598301.db2.gz KVQNRECUZOGDIA-CHWSQXEVSA-N 2 0 249.358 1.320 20 0 BDADRP C[NH+](C)C1CCC([NH2+]Cc2cc[nH]c2)CC1 ZINC000421370135 192335789 /nfs/dbraw/zinc/33/57/89/192335789.db2.gz JBZVQCQLIZFNEF-UHFFFAOYSA-N 2 0 221.348 1.977 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CC[C@@H](C)[NH3+] ZINC000092630085 398235487 /nfs/dbraw/zinc/23/54/87/398235487.db2.gz WNOFEWCRYPRBHQ-VXGBXAGGSA-N 2 0 241.379 1.057 20 0 BDADRP CC[N@@H+]1CCC[C@H]1CN(C)C[C@]1(C)CC[NH2+]C1 ZINC000092633599 398235585 /nfs/dbraw/zinc/23/55/85/398235585.db2.gz HXYUOFYHKYPEHS-UONOGXRCSA-N 2 0 239.407 1.402 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+][C@@H](CO)Cc1ccccc1 ZINC000089150660 259308150 /nfs/dbraw/zinc/30/81/50/259308150.db2.gz AFJDUXITULVNIY-RBSFLKMASA-N 2 0 248.370 1.307 20 0 BDADRP CC[C@H](C)[C@H](C[NH2+]CCC[NH+](C)C)OC ZINC000381267028 398242365 /nfs/dbraw/zinc/24/23/65/398242365.db2.gz GNZJKDRBUSRXFK-RYUDHWBXSA-N 2 0 216.369 1.589 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H](C)CCc1ccco1 ZINC000571669384 398243145 /nfs/dbraw/zinc/24/31/45/398243145.db2.gz JPSNTPNGZPNSLQ-NSHDSACASA-N 2 0 210.321 1.800 20 0 BDADRP COC(C)(C)[C@@H](C)[NH2+][C@@H]1CCN(CC2CC2)C1 ZINC000645406963 398246451 /nfs/dbraw/zinc/24/64/51/398246451.db2.gz MQRDWELAGXBECP-DGCLKSJQSA-N 2 0 240.391 1.874 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000566087935 398250212 /nfs/dbraw/zinc/25/02/12/398250212.db2.gz FRSLKCFUAIEYGQ-NILFDRSVSA-N 3 0 245.370 1.720 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCC1(C)C ZINC000379912570 365640764 /nfs/dbraw/zinc/64/07/64/365640764.db2.gz NTMQMCVTNHJNIH-MNOVXSKESA-N 2 0 214.353 1.077 20 0 BDADRP [NH3+]CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000576703093 365662527 /nfs/dbraw/zinc/66/25/27/365662527.db2.gz AMWOUYPHNRKBAS-NEPJUHHUSA-N 2 0 212.337 1.226 20 0 BDADRP C[NH2+]C[C@](C)(O)C[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000576708097 365665422 /nfs/dbraw/zinc/66/54/22/365665422.db2.gz DKQLMQUQAIADNT-LOWDOPEQSA-N 2 0 228.380 1.371 20 0 BDADRP [NH3+]CC[C@H]1CCC[N@H+](C[C@H]2CCOC2)C1 ZINC000251323928 398269182 /nfs/dbraw/zinc/26/91/82/398269182.db2.gz OLYAJENJVRUXJK-VXGBXAGGSA-N 2 0 212.337 1.084 20 0 BDADRP CC1(C[NH2+]CCCC[NH+]2CCOCC2)CC1 ZINC000381757021 346827639 /nfs/dbraw/zinc/82/76/39/346827639.db2.gz SJYOAIIDABDUPI-UHFFFAOYSA-N 2 0 226.364 1.489 20 0 BDADRP CC[C@H](COC)[NH2+]CCC[N@H+](C)C(C)C ZINC000166568530 361852770 /nfs/dbraw/zinc/85/27/70/361852770.db2.gz XZQRQOCCKRYUSJ-GFCCVEGCSA-N 2 0 216.369 1.731 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@@H](C)OC)CC1 ZINC000167040566 361860211 /nfs/dbraw/zinc/86/02/11/361860211.db2.gz HCOYLQADBGGDFW-LLVKDONJSA-N 2 0 214.353 1.485 20 0 BDADRP CN1CCC[C@@H]1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000649488634 398283629 /nfs/dbraw/zinc/28/36/29/398283629.db2.gz UKMMKCGTOKXEBO-CQSZACIVSA-N 2 0 239.407 1.354 20 0 BDADRP CCC[NH+]1CCC(N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000040671748 538972478 /nfs/dbraw/zinc/97/24/78/538972478.db2.gz AAUUYEYZWOATCV-CQSZACIVSA-N 2 0 239.407 1.545 20 0 BDADRP O[C@@H]1CC[N@H+](CCNc2[nH+]ccc3[nH]ccc32)C1 ZINC000624677783 342818002 /nfs/dbraw/zinc/81/80/02/342818002.db2.gz DVDGHOHNODCNHM-SNVBAGLBSA-N 2 0 246.314 1.041 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)C2([NH3+])CCCC2)cc1 ZINC000335681658 398292869 /nfs/dbraw/zinc/29/28/69/398292869.db2.gz QSINVWKYCNZGMB-UHFFFAOYSA-N 2 0 233.315 1.355 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1NCC1([NH3+])CCCCC1 ZINC000335623798 136240482 /nfs/dbraw/zinc/24/04/82/136240482.db2.gz GBRLQLKFCGWAOV-GHMZBOCLSA-N 2 0 211.353 1.117 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000381479041 539001589 /nfs/dbraw/zinc/00/15/89/539001589.db2.gz RZLPJVYCFNNJJS-IJLUTSLNSA-N 2 0 228.380 1.730 20 0 BDADRP C[C@@]1(C[NH3+])CC[N@H+](CCOCc2ccccc2)C1 ZINC000390783767 539027357 /nfs/dbraw/zinc/02/73/57/539027357.db2.gz TXKBPAGTHBNSJV-HNNXBMFYSA-N 2 0 248.370 1.874 20 0 BDADRP CCSCC[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252767115 398302792 /nfs/dbraw/zinc/30/27/92/398302792.db2.gz JJZAOMFPFCVFCV-UWVGGRQHSA-N 2 0 202.367 1.409 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H](CO)C2CCCC2)C1 ZINC000385999957 342895822 /nfs/dbraw/zinc/89/58/22/342895822.db2.gz KKTAIUASODTSBX-UPJWGTAASA-N 2 0 226.364 1.397 20 0 BDADRP CCO[C@@H](C[N@@H+]1CC[C@@H](C[NH+](C)C)C1)C1CC1 ZINC000625166751 342898929 /nfs/dbraw/zinc/89/89/29/342898929.db2.gz LHXUCVRXDONLTH-JSGCOSHPSA-N 2 0 240.391 1.685 20 0 BDADRP CC[NH2+]CCC[NH2+][C@H]1C[C@@H](OCC)C1(C)C ZINC000233510838 342910049 /nfs/dbraw/zinc/91/00/49/342910049.db2.gz GOCJIGTUJLKIGF-NWDGAFQWSA-N 2 0 228.380 1.779 20 0 BDADRP COc1cccc([C@@H](C)N[C@H](C)C[NH3+])c1 ZINC000234870309 259328416 /nfs/dbraw/zinc/32/84/16/259328416.db2.gz DYKXDJFOQKTGHU-NXEZZACHSA-N 2 0 208.305 1.693 20 0 BDADRP CC[C@H](O)[C@H](CC)[NH2+]C1CCC([NH3+])CC1 ZINC000313094055 259330725 /nfs/dbraw/zinc/33/07/25/259330725.db2.gz QMMWLTHKNQUJLJ-QQFIATSDSA-N 2 0 214.353 1.395 20 0 BDADRP [NH3+]CC1(O)CC[NH+](CC2CCCCCC2)CC1 ZINC000335625672 398342043 /nfs/dbraw/zinc/34/20/43/398342043.db2.gz MDSCTSIUXLCOSG-UHFFFAOYSA-N 2 0 240.391 1.742 20 0 BDADRP CCCCC[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313357859 259334065 /nfs/dbraw/zinc/33/40/65/259334065.db2.gz UIAXMBSBHMBPRN-LLVKDONJSA-N 2 0 200.326 1.226 20 0 BDADRP CC[N@@H+]1CCN(CC[C@@H]2CCC[NH+]2C)C[C@H]1C ZINC000678081881 488192499 /nfs/dbraw/zinc/19/24/99/488192499.db2.gz GDVPCYAIGKKEQS-KGLIPLIRSA-N 2 0 239.407 1.497 20 0 BDADRP CC[C@@]1(O)CC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000495259540 529573755 /nfs/dbraw/zinc/57/37/55/529573755.db2.gz APGXOXLCYNSNJG-UONOGXRCSA-N 2 0 240.391 1.708 20 0 BDADRP CCC[C@H]([NH3+])C(=O)NCC[NH+](C(C)C)C(C)C ZINC000036872642 342992751 /nfs/dbraw/zinc/99/27/51/342992751.db2.gz XOOMUUQWABAWOQ-LBPRGKRZSA-N 2 0 243.395 1.349 20 0 BDADRP CC(C)C[C@H]([NH3+])c1noc([C@@H]2CC23C[NH2+]C3)n1 ZINC000576822904 365694608 /nfs/dbraw/zinc/69/46/08/365694608.db2.gz QBPODBVVIDTYTH-IUCAKERBSA-N 2 0 236.319 1.192 20 0 BDADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCCc1ccncc1 ZINC000576834438 365698918 /nfs/dbraw/zinc/69/89/18/365698918.db2.gz LCCSOBDYMVZVSV-GXTWGEPZSA-N 2 0 233.359 1.826 20 0 BDADRP CCC[C@H](CCO)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386485989 343068147 /nfs/dbraw/zinc/06/81/47/343068147.db2.gz SWYAAAPNFIXKBN-BFHYXJOUSA-N 2 0 242.407 1.905 20 0 BDADRP CC(C)[NH2+]CCCN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000562956208 323035045 /nfs/dbraw/zinc/03/50/45/323035045.db2.gz JVBIMJHBJHMBDO-RYUDHWBXSA-N 2 0 213.369 1.105 20 0 BDADRP CC[N@@H+]1CCC[C@H](N[C@@H]2CCC[NH2+]CC2)C1 ZINC000168734013 136269852 /nfs/dbraw/zinc/26/98/52/136269852.db2.gz WWOYQSKTVRKWQE-OLZOCXBDSA-N 2 0 225.380 1.202 20 0 BDADRP COC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])C(C)C ZINC000569684672 323036895 /nfs/dbraw/zinc/03/68/95/323036895.db2.gz WGIXEBPAWBPNBL-MXWKQRLJSA-N 2 0 202.342 1.373 20 0 BDADRP CC(C)[C@@H](C[NH2+]C[C@H](C)O)N1CCCCCC1 ZINC000576936804 365723862 /nfs/dbraw/zinc/72/38/62/365723862.db2.gz SNBXQWKBZUETFN-UONOGXRCSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000157707205 343200443 /nfs/dbraw/zinc/20/04/43/343200443.db2.gz NMJODPFECKVZHB-YVECIDJPSA-N 2 0 225.380 1.329 20 0 BDADRP Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cnn1C ZINC000132173599 343187650 /nfs/dbraw/zinc/18/76/50/343187650.db2.gz JVXPBCXEVFZXBZ-CMPLNLGQSA-N 2 0 236.363 1.379 20 0 BDADRP FCCC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000088026346 136283718 /nfs/dbraw/zinc/28/37/18/136283718.db2.gz OZXZRYJNUBTSAM-GFCCVEGCSA-N 2 0 214.328 1.810 20 0 BDADRP C[N@@H+]1CCC[C@@H]2C[NH+](CC(C)(C)O)CC[C@@H]21 ZINC000088091299 136284205 /nfs/dbraw/zinc/28/42/05/136284205.db2.gz GGQHODPQEGBCAE-NEPJUHHUSA-N 2 0 226.364 1.173 20 0 BDADRP CC(C)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000070585082 136278561 /nfs/dbraw/zinc/27/85/61/136278561.db2.gz ANZKXSWTJPJAMV-GFCCVEGCSA-N 2 0 225.380 1.153 20 0 BDADRP Cc1nccn1CCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000348750732 136297044 /nfs/dbraw/zinc/29/70/44/136297044.db2.gz PNKWLWTYJHZBCE-MELADBBJSA-N 2 0 248.374 1.251 20 0 BDADRP C[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000037042497 343331611 /nfs/dbraw/zinc/33/16/11/343331611.db2.gz RSMVYKSRMNYPGO-SECBINFHSA-N 2 0 221.304 1.034 20 0 BDADRP Cn1ccnc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000335635225 136300790 /nfs/dbraw/zinc/30/07/90/136300790.db2.gz SBROSVGWARVCTJ-QWHCGFSZSA-N 2 0 248.374 1.242 20 0 BDADRP C(C1CC1)[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335638033 136302866 /nfs/dbraw/zinc/30/28/66/136302866.db2.gz ZWWIKHWDARFXKY-CHWSQXEVSA-N 2 0 208.349 1.718 20 0 BDADRP CCCCOCC[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000166228020 136314344 /nfs/dbraw/zinc/31/43/44/136314344.db2.gz YUBOLZSXFJALAC-VXGBXAGGSA-N 2 0 214.353 1.472 20 0 BDADRP CCc1nc(CN2CC[C@@H]([C@@H](C)[NH3+])C2)cs1 ZINC000166228291 136314556 /nfs/dbraw/zinc/31/45/56/136314556.db2.gz ANEXETAWBWAKEF-NXEZZACHSA-N 2 0 239.388 1.875 20 0 BDADRP Cc1n[nH]cc1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000335688940 136324365 /nfs/dbraw/zinc/32/43/65/136324365.db2.gz QWFSPTDPNFQYJK-SECBINFHSA-N 2 0 222.336 1.277 20 0 BDADRP CCCN1CC[C@@H]([NH2+][C@H](C)CCCCO)C1 ZINC000398376475 488216280 /nfs/dbraw/zinc/21/62/80/488216280.db2.gz KYLXNGOBGJSTRK-CHWSQXEVSA-N 2 0 228.380 1.611 20 0 BDADRP C[N@@H+]1CCCC12CCN(C[C@H]1CCOC1)CC2 ZINC000335737080 136350900 /nfs/dbraw/zinc/35/09/00/136350900.db2.gz QICJDYLGMCYZEV-CYBMUJFWSA-N 2 0 238.375 1.583 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](Cc2cccc3c2NCC3)C1 ZINC000335712715 136337828 /nfs/dbraw/zinc/33/78/28/136337828.db2.gz KFDPMLVFYHRRED-LBPRGKRZSA-N 2 0 245.370 1.825 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](O)CC1 ZINC000335888782 136358162 /nfs/dbraw/zinc/35/81/62/136358162.db2.gz XVRYKUDFYAFNHO-OLZOCXBDSA-N 2 0 226.364 1.318 20 0 BDADRP CCOCC[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000082601499 343454447 /nfs/dbraw/zinc/45/44/47/343454447.db2.gz RAXHYFAWKOJTJI-NSHDSACASA-N 2 0 200.326 1.226 20 0 BDADRP CC[C@H](O)[C@H](CC)[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400338075 529712189 /nfs/dbraw/zinc/71/21/89/529712189.db2.gz HYOCWSNXJRFILL-WYUUTHIRSA-N 2 0 214.353 1.124 20 0 BDADRP CCC[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)CCOC ZINC000310563681 343537618 /nfs/dbraw/zinc/53/76/18/343537618.db2.gz WPLHPBDRFVTCAR-OLZOCXBDSA-N 2 0 246.395 1.046 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)Cc1ccsc1 ZINC000379621690 343586115 /nfs/dbraw/zinc/58/61/15/343586115.db2.gz GFJWXSHIRCTXHE-UWVGGRQHSA-N 2 0 212.362 1.864 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2nccs2)C1 ZINC000087393683 343647130 /nfs/dbraw/zinc/64/71/30/343647130.db2.gz PCXJMFWRUQRUAW-JTQLQIEISA-N 2 0 225.361 1.704 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000556952981 343628016 /nfs/dbraw/zinc/62/80/16/343628016.db2.gz JHPCCMNCSVYMEW-NFMDPKQHSA-N 3 0 237.391 1.234 20 0 BDADRP CCCC[N@H+](CCO)CC1CC[NH2+]CC1 ZINC000087647803 343656114 /nfs/dbraw/zinc/65/61/14/343656114.db2.gz YXNDGEREJANAGU-UHFFFAOYSA-N 2 0 214.353 1.080 20 0 BDADRP C[C@@H](c1ccncc1)N1CCc2nc[nH]c2C1 ZINC000625437886 343740100 /nfs/dbraw/zinc/74/01/00/343740100.db2.gz PSIDYWLMSIYOKX-JTQLQIEISA-N 2 0 228.299 1.924 20 0 BDADRP CC1(C)CCC[N@@H+]1CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000584182716 343770908 /nfs/dbraw/zinc/77/09/08/343770908.db2.gz IZLCBYCJDRHDRR-QWHCGFSZSA-N 2 0 239.407 1.720 20 0 BDADRP CC[NH2+]CCCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000576506727 343751813 /nfs/dbraw/zinc/75/18/13/343751813.db2.gz DNNKIRQEKLBKEF-MCIONIFRSA-N 2 0 239.407 1.448 20 0 BDADRP C1C[C@]2(C[N@@H+]1C1CC[NH2+]CC1)CCCCO2 ZINC000409431419 343823708 /nfs/dbraw/zinc/82/37/08/343823708.db2.gz SFSZXKRFQNOACU-ZDUSSCGKSA-N 2 0 224.348 1.383 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000577062433 365798862 /nfs/dbraw/zinc/79/88/62/365798862.db2.gz FGGIVERFWJSGNC-DOMZBBRYSA-N 3 0 247.386 1.623 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)N(C)C ZINC000038087978 537834336 /nfs/dbraw/zinc/83/43/36/537834336.db2.gz RRLAOMMJUGFHCA-NEPJUHHUSA-N 2 0 227.396 1.256 20 0 BDADRP C[N@H+](CC[C@@H]1CCCC[NH+]1C)[C@@H]1CCC[C@H]1O ZINC000511608050 529929812 /nfs/dbraw/zinc/92/98/12/529929812.db2.gz BBJDJFMQACOZJA-BFHYXJOUSA-N 2 0 240.391 1.706 20 0 BDADRP CCN(C)C[C@@H](O)C[N@H+](CC(C)C)C(C)C ZINC000381059542 343918835 /nfs/dbraw/zinc/91/88/35/343918835.db2.gz KNCCAHUOZAKTEY-CYBMUJFWSA-N 2 0 230.396 1.665 20 0 BDADRP Cc1cc(N[C@@H](C)C2CC[NH+](C)CC2)cc[nH+]1 ZINC000396462010 347017471 /nfs/dbraw/zinc/01/74/71/347017471.db2.gz JKNWLFFBJOZLEW-LBPRGKRZSA-N 2 0 233.359 1.954 20 0 BDADRP CCC[C@H]([NH3+])c1cn(CC2CC[NH2+]CC2)nn1 ZINC000641232320 362287972 /nfs/dbraw/zinc/28/79/72/362287972.db2.gz BTOWLNXTOTXKQX-NSHDSACASA-N 2 0 237.351 1.078 20 0 BDADRP CCOC[C@H](C)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732286 344107043 /nfs/dbraw/zinc/10/70/43/344107043.db2.gz CFCRNJQRPVZLGE-NWDGAFQWSA-N 2 0 228.380 1.779 20 0 BDADRP Cn1ccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000634733220 344113336 /nfs/dbraw/zinc/11/33/36/344113336.db2.gz ACCRPTMJRYJVCH-CYBMUJFWSA-N 2 0 235.375 1.893 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2CCCOCC2)C1 ZINC000634733677 344114094 /nfs/dbraw/zinc/11/40/94/344114094.db2.gz KXYPYDSYXXIGAO-STQMWFEESA-N 2 0 240.391 1.923 20 0 BDADRP CCSCCN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000299893277 344117668 /nfs/dbraw/zinc/11/76/68/344117668.db2.gz JSDKKVFSKFDAFQ-WDEREUQCSA-N 2 0 214.378 1.423 20 0 BDADRP Fc1cnccc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000641308980 362359564 /nfs/dbraw/zinc/35/95/64/362359564.db2.gz LMDRUPQFBUKPCJ-SECBINFHSA-N 2 0 221.279 1.291 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000131887806 344237501 /nfs/dbraw/zinc/23/75/01/344237501.db2.gz UOZKGEMYXMWWFF-WDEREUQCSA-N 2 0 216.369 1.587 20 0 BDADRP Cc1ncc(C[NH+]2CCC(C[NH+](C)C)CC2)o1 ZINC000628134700 344188789 /nfs/dbraw/zinc/18/87/89/344188789.db2.gz YTTHILDYQOCXRB-UHFFFAOYSA-N 2 0 237.347 1.757 20 0 BDADRP Cc1n[nH]cc1CCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000093215727 344312465 /nfs/dbraw/zinc/31/24/65/344312465.db2.gz PMHQSYSVHCCGRZ-CHWSQXEVSA-N 2 0 236.363 1.510 20 0 BDADRP CC(C)[NH2+]CCC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000131626991 344315332 /nfs/dbraw/zinc/31/53/32/344315332.db2.gz ITIRYCUTEYXYIQ-NEPJUHHUSA-N 2 0 241.379 1.103 20 0 BDADRP CC(C)CCOCCN1C[C@H]([NH3+])C[C@@H]1C ZINC000385083480 344320566 /nfs/dbraw/zinc/32/05/66/344320566.db2.gz KFPJEOKPPCCYAL-NWDGAFQWSA-N 2 0 214.353 1.471 20 0 BDADRP Cc1ncccc1CN1C[C@@H]([NH3+])C[C@@H]1C ZINC000385095687 344323682 /nfs/dbraw/zinc/32/36/82/344323682.db2.gz NQQPJDWCWYTLJP-CABZTGNLSA-N 2 0 205.305 1.312 20 0 BDADRP CC(C)[NH2+]CCC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000131826545 344334077 /nfs/dbraw/zinc/33/40/77/344334077.db2.gz LOMAASXCSMNCAK-CYBMUJFWSA-N 2 0 249.358 1.191 20 0 BDADRP COC(=O)CCCC[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000600699734 344359630 /nfs/dbraw/zinc/35/96/30/344359630.db2.gz CQNIZDPWNRHACN-NWDGAFQWSA-N 2 0 242.363 1.389 20 0 BDADRP COC(=O)CCCC[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000600710072 344360825 /nfs/dbraw/zinc/36/08/25/344360825.db2.gz NZQOESFUSKKFEO-GHMZBOCLSA-N 2 0 228.336 1.189 20 0 BDADRP CC[NH+]1CCC(C[NH2+]Cc2cn[nH]c2)CC1 ZINC000381700348 344537595 /nfs/dbraw/zinc/53/75/95/344537595.db2.gz IHJHRJNRNYNYSF-UHFFFAOYSA-N 2 0 222.336 1.231 20 0 BDADRP C1CC([NH2+]C2CCSCC2)CC[NH2+]1 ZINC000220683636 344567228 /nfs/dbraw/zinc/56/72/28/344567228.db2.gz JCJLQJCJBDIRDE-UHFFFAOYSA-N 2 0 200.351 1.224 20 0 BDADRP CC[NH+](CC)CCN(CC(C)C)C(=O)CC[NH3+] ZINC000037812229 344591105 /nfs/dbraw/zinc/59/11/05/344591105.db2.gz YAAGZRIILUCDLS-UHFFFAOYSA-N 2 0 243.395 1.162 20 0 BDADRP C[C@@H]1C[C@H]1C[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000583357553 344763100 /nfs/dbraw/zinc/76/31/00/344763100.db2.gz YSJSPQNRRKPCJB-KGLIPLIRSA-N 2 0 239.407 1.260 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](C[C@H]2CCCC[C@H]2O)C1 ZINC000382030636 347073385 /nfs/dbraw/zinc/07/33/85/347073385.db2.gz DGEJQYLXLBRLEN-JHJVBQTASA-N 2 0 226.364 1.208 20 0 BDADRP CCOCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075835623 344792620 /nfs/dbraw/zinc/79/26/20/344792620.db2.gz KQUXUZNNYKKWQT-AWEZNQCLSA-N 2 0 240.391 1.831 20 0 BDADRP [NH3+]Cc1cccc(OCC[C@@H]2CC[NH2+]C2)c1 ZINC000562981055 323077809 /nfs/dbraw/zinc/07/78/09/323077809.db2.gz QJVVQVYJQTZCEM-NSHDSACASA-N 2 0 220.316 1.524 20 0 BDADRP Cc1c[nH]c(CN2CC[N@@H+]3CCCC[C@@H]3C2)n1 ZINC000628157097 344851242 /nfs/dbraw/zinc/85/12/42/344851242.db2.gz UUIIPEKFKSYMSF-GFCCVEGCSA-N 2 0 234.347 1.388 20 0 BDADRP CN(CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000583391709 344877641 /nfs/dbraw/zinc/87/76/41/344877641.db2.gz DLCODUPQGSQOCF-KGLIPLIRSA-N 2 0 247.386 1.982 20 0 BDADRP CCO[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000578497198 344888208 /nfs/dbraw/zinc/88/82/08/344888208.db2.gz BDIWJIAFXYDEGC-LEWSCRJBSA-N 2 0 249.358 1.677 20 0 BDADRP CC[C@@H](C(=O)N[C@@H](C)C[NH+](CC)CC)[NH+](C)C ZINC000338970430 537872467 /nfs/dbraw/zinc/87/24/67/537872467.db2.gz SWNVKMDIXUOTFC-RYUDHWBXSA-N 2 0 243.395 1.173 20 0 BDADRP CC[NH2+]CCC[NH2+][C@@H]1CCC[C@@H]1CCOC ZINC000579342108 344951277 /nfs/dbraw/zinc/95/12/77/344951277.db2.gz YEKOBDYDZQHCNR-CHWSQXEVSA-N 2 0 228.380 1.781 20 0 BDADRP Cn1cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cn1 ZINC000248131982 345051022 /nfs/dbraw/zinc/05/10/22/345051022.db2.gz OOIIJDVXAFDBBI-KBPBESRZSA-N 2 0 248.374 1.336 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](C)C[C@H]1C ZINC000359594410 345090720 /nfs/dbraw/zinc/09/07/20/345090720.db2.gz UAIXQRHKPYCGPB-MGPQQGTHSA-N 2 0 239.407 1.401 20 0 BDADRP C(N1CCCC[C@@H]1[C@H]1CCC[NH2+]1)C12CC(C1)C[NH2+]2 ZINC000634990754 345173642 /nfs/dbraw/zinc/17/36/42/345173642.db2.gz AWVBHABZGBPVNR-PIOWNMBXSA-N 2 0 249.402 1.345 20 0 BDADRP C(N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)C12CC(C1)C[NH2+]2 ZINC000634991233 345174005 /nfs/dbraw/zinc/17/40/05/345174005.db2.gz VOINAGPZTIIZRU-PIOWNMBXSA-N 2 0 249.402 1.202 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2CC[N@H+](C)[C@H](C)C2)CC[NH+]1C ZINC000156555064 345175955 /nfs/dbraw/zinc/17/59/55/345175955.db2.gz JDNMREHDHUXTKN-SYQHCUMBSA-N 3 0 239.407 1.541 20 0 BDADRP C[N@@H+]1CCC[C@@H]2CN(CC34CC(C3)C[NH2+]4)CC[C@H]21 ZINC000634993481 345190305 /nfs/dbraw/zinc/19/03/05/345190305.db2.gz WBBRXVGBVHKRLH-PIOWNMBXSA-N 2 0 249.402 1.155 20 0 BDADRP CC(C)[C@H](C[NH3+])CN(CC[NH3+])Cc1ccccc1 ZINC000634991572 345177600 /nfs/dbraw/zinc/17/76/00/345177600.db2.gz JLFGUCZNPKFMFJ-OAHLLOKOSA-N 2 0 249.402 1.678 20 0 BDADRP CC(C)[N@@H+]1CCCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634991594 345177964 /nfs/dbraw/zinc/17/79/64/345177964.db2.gz KHPLLHRZCSNTCL-UHFFFAOYSA-N 2 0 237.391 1.155 20 0 BDADRP C[C@H]([NH3+])c1ccc(NCC23CC(C2)C[NH2+]3)cc1 ZINC000634994536 345182049 /nfs/dbraw/zinc/18/20/49/345182049.db2.gz GVHSGZQOERIENT-IFQILLTASA-N 2 0 231.343 1.870 20 0 BDADRP C([N@@H+]1CCC[C@@H]2COCC[C@@H]21)C12CC(C1)C[NH2+]2 ZINC000634994787 345182724 /nfs/dbraw/zinc/18/27/24/345182724.db2.gz MSLIWDIFYUGIRE-DKNRTOFZSA-N 2 0 236.359 1.239 20 0 BDADRP C[C@@H]([NH3+])c1ccc(CNCC23CC(C2)C[NH2+]3)cc1 ZINC000634995209 345183455 /nfs/dbraw/zinc/18/34/55/345183455.db2.gz YFYRMHODHJJOSF-NUYPLMSZSA-N 2 0 245.370 1.548 20 0 BDADRP [NH3+]Cc1ccc(CNCC23CC(C2)C[NH2+]3)c(F)c1 ZINC000634996844 345184339 /nfs/dbraw/zinc/18/43/39/345184339.db2.gz WXUKPQUYVOGDRU-UHFFFAOYSA-N 3 0 249.333 1.126 20 0 BDADRP Cc1noc(C)c1C[C@@H](C)NCC12CC(C1)C[NH2+]2 ZINC000634995392 345184458 /nfs/dbraw/zinc/18/44/58/345184458.db2.gz CPXXQIZIRDHARU-JTZLXEIQSA-N 2 0 249.358 1.564 20 0 BDADRP CC(C)[C@H](C[NH3+])C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000634995611 345185184 /nfs/dbraw/zinc/18/51/84/345185184.db2.gz KJNNMQZNADFENM-GFCCVEGCSA-N 3 0 227.396 1.197 20 0 BDADRP CC(C)OCCC[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634995794 345185847 /nfs/dbraw/zinc/18/58/47/345185847.db2.gz PBYKDDOKQACREY-UHFFFAOYSA-N 2 0 212.337 1.143 20 0 BDADRP [NH3+][C@@H]1CCCCCN(CC2=CCCOC2)C1 ZINC000634997183 345194684 /nfs/dbraw/zinc/19/46/84/345194684.db2.gz FQCAPUVVJSXIES-CYBMUJFWSA-N 2 0 224.348 1.536 20 0 BDADRP CC(C)[C@H](C[NH3+])CN1CCCCC[C@H]([NH3+])C1 ZINC000634997157 345194772 /nfs/dbraw/zinc/19/47/72/345194772.db2.gz FDAOHKQFDGLEOI-OLZOCXBDSA-N 2 0 227.396 1.421 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccc3c(c2)CCO3)C[C@H]1C[NH3+] ZINC000634999232 345199306 /nfs/dbraw/zinc/19/93/06/345199306.db2.gz RJQPPFQZMXHFBB-SMDDNHRTSA-N 2 0 246.354 1.648 20 0 BDADRP COCc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)o1 ZINC000634999506 345200768 /nfs/dbraw/zinc/20/07/68/345200768.db2.gz VPFLZGYKTDLLKJ-GHMZBOCLSA-N 2 0 238.331 1.453 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)[C@H](C)O1 ZINC000635001081 345202768 /nfs/dbraw/zinc/20/27/68/345202768.db2.gz FSYPSDSPROFZSF-UJPOAAIJSA-N 2 0 226.364 1.530 20 0 BDADRP c1cc2n(n1)CCC[C@@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000635001746 345203027 /nfs/dbraw/zinc/20/30/27/345203027.db2.gz FMNTVTCQFQFKRK-LBPRGKRZSA-N 2 0 234.347 1.307 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCCn3nccc32)CC[NH2+]1 ZINC000635002007 345203552 /nfs/dbraw/zinc/20/35/52/345203552.db2.gz KQYOWRXXKAQITG-JHJVBQTASA-N 2 0 248.374 1.696 20 0 BDADRP CC(C)(F)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000635003802 345207182 /nfs/dbraw/zinc/20/71/82/345207182.db2.gz LTDHCCAOZIXOKF-UWVGGRQHSA-N 2 0 202.317 1.842 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000635004524 345207633 /nfs/dbraw/zinc/20/76/33/345207633.db2.gz IQOKZTVMCKJFSC-FBDQPXRJSA-N 2 0 200.326 1.268 20 0 BDADRP C[C@@H]1CCNC[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635005095 345209156 /nfs/dbraw/zinc/20/91/56/345209156.db2.gz MBSJGRGYVAYKSC-LPWJVIDDSA-N 2 0 225.380 1.092 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)[C@H]1CCOC1 ZINC000635006144 345210686 /nfs/dbraw/zinc/21/06/86/345210686.db2.gz LHIUXRMAALAZBD-CYDGBPFRSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccn(C)n1 ZINC000635006832 345211044 /nfs/dbraw/zinc/21/10/44/345211044.db2.gz TXAFBOUUTMWXFC-IJLUTSLNSA-N 2 0 236.363 1.588 20 0 BDADRP Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])o1 ZINC000635009467 345212198 /nfs/dbraw/zinc/21/21/98/345212198.db2.gz NKDJYUKVMQSPGC-RAIGVLPGSA-N 2 0 238.331 1.430 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635011882 345213619 /nfs/dbraw/zinc/21/36/19/345213619.db2.gz PXACSZVVTSTCSF-AGIUHOORSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H](CCCCO)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635012608 345214512 /nfs/dbraw/zinc/21/45/12/345214512.db2.gz UMZVBXAUEHFWPJ-QWHCGFSZSA-N 2 0 242.407 1.905 20 0 BDADRP COC[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)C1CC1 ZINC000635012719 345215007 /nfs/dbraw/zinc/21/50/07/345215007.db2.gz VKCMSLOWLVBRKI-QWHCGFSZSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)[C@H]1CCC[NH2+]1 ZINC000635008056 345215664 /nfs/dbraw/zinc/21/56/64/345215664.db2.gz YPUBBINCOJAVOA-FDYHWXHSSA-N 2 0 225.380 1.234 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)CC1CCC1 ZINC000635014260 345219128 /nfs/dbraw/zinc/21/91/28/345219128.db2.gz ZZQZNDWQFNTYCP-YPMHNXCESA-N 2 0 228.380 1.909 20 0 BDADRP CCC1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000042308253 168525894 /nfs/dbraw/zinc/52/58/94/168525894.db2.gz VGVBUPFDRHRSPD-UHFFFAOYSA-N 2 0 225.380 1.014 20 0 BDADRP COC[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158553620 345347820 /nfs/dbraw/zinc/34/78/20/345347820.db2.gz IPELLCJSXGBUQM-YNEHKIRRSA-N 2 0 226.364 1.437 20 0 BDADRP C[C@H]([NH2+]CC1([NH3+])CCCCC1)[C@H]1CCOC1 ZINC000158627507 345357704 /nfs/dbraw/zinc/35/77/04/345357704.db2.gz AZGQLMGDBVJVFD-RYUDHWBXSA-N 2 0 226.364 1.663 20 0 BDADRP CC[C@H](C)C[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000093074807 345656446 /nfs/dbraw/zinc/65/64/46/345656446.db2.gz JWVBLSZZWSIOFU-JSGCOSHPSA-N 2 0 242.407 1.715 20 0 BDADRP C[NH+]1CCC(C[NH2+]Cc2ccncc2N)CC1 ZINC000641717928 362639833 /nfs/dbraw/zinc/63/98/33/362639833.db2.gz RYLNLOLACOMBFA-UHFFFAOYSA-N 2 0 234.347 1.095 20 0 BDADRP C[NH+](C)CCCC[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000390294706 259385017 /nfs/dbraw/zinc/38/50/17/259385017.db2.gz QHRYQDWIJVRARI-UHFFFAOYSA-N 2 0 246.358 1.994 20 0 BDADRP C[NH+](C)CCCC[NH2+]Cc1cnc(C2CC2)o1 ZINC000628210433 345811603 /nfs/dbraw/zinc/81/16/03/345811603.db2.gz XBSJIYYGFBABGI-UHFFFAOYSA-N 2 0 237.347 1.983 20 0 BDADRP Cc1ncc(C[NH2+]CCC2CC[NH+](C)CC2)o1 ZINC000628214176 345888240 /nfs/dbraw/zinc/88/82/40/345888240.db2.gz NIAACOGRTPDQGA-UHFFFAOYSA-N 2 0 237.347 1.805 20 0 BDADRP C[N@@H+]1CCC[C@H]1CCN1CC[NH+](C)C(C)(C)C1 ZINC000581377368 345942913 /nfs/dbraw/zinc/94/29/13/345942913.db2.gz ABKUUPOKQDCSDQ-ZDUSSCGKSA-N 2 0 239.407 1.497 20 0 BDADRP [NH3+]C1(C[NH2+]C2CCCCCC2)CCOCC1 ZINC000149778493 346154669 /nfs/dbraw/zinc/15/46/69/346154669.db2.gz BMHDRCCYQHTLML-UHFFFAOYSA-N 2 0 226.364 1.807 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@H](O)CC(F)(F)F ZINC000307944334 346298714 /nfs/dbraw/zinc/29/87/14/346298714.db2.gz WEOJIGJWNNGRIV-RKDXNWHRSA-N 2 0 242.285 1.230 20 0 BDADRP CSC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401159318 346332013 /nfs/dbraw/zinc/33/20/13/346332013.db2.gz SFLSVNRFZOQDGB-IRCOFANPSA-N 2 0 228.405 1.716 20 0 BDADRP CC[NH+](CC)CC[C@@H](CO)[NH2+]CC(C)C ZINC000641770928 362708479 /nfs/dbraw/zinc/70/84/79/362708479.db2.gz ABBIUVGHXHUFMB-LBPRGKRZSA-N 2 0 216.369 1.325 20 0 BDADRP COC(=O)CC1(C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000603431866 349953291 /nfs/dbraw/zinc/95/32/91/349953291.db2.gz HMPKJPKCIVQCEU-ZJUUUORDSA-N 2 0 240.347 1.045 20 0 BDADRP CC[C@@H](C)C[NH2+][C@H](CO)CC[NH+](CC)CC ZINC000641773664 362712755 /nfs/dbraw/zinc/71/27/55/362712755.db2.gz ZAXWPYRJICBPDS-OLZOCXBDSA-N 2 0 230.396 1.715 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccncc2N)C1 ZINC000641773179 362713236 /nfs/dbraw/zinc/71/32/36/362713236.db2.gz VRWVHVUOXNJHJQ-KLPPZKSPSA-N 2 0 234.347 1.094 20 0 BDADRP CO[C@H](CC(C)C)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000419200961 192103031 /nfs/dbraw/zinc/10/30/31/192103031.db2.gz FCMFTEBRAKELNH-ZIAGYGMSSA-N 2 0 242.407 1.931 20 0 BDADRP Cc1cccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1C ZINC000090320631 179083931 /nfs/dbraw/zinc/08/39/31/179083931.db2.gz VLTOXGJKLZXXNQ-GASCZTMLSA-N 2 0 230.355 1.955 20 0 BDADRP C[C@@H]1CC[C@H](CN)[N@H+](CC[C@@H]2CC[NH2+]C2)[C@@H]1C ZINC000641804066 362761822 /nfs/dbraw/zinc/76/18/22/362761822.db2.gz AJMNCJYMPIUZOI-YIYPIFLZSA-N 2 0 239.407 1.434 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH3+])N(CCOCC2CC2)[C@H]1C ZINC000641808330 362762997 /nfs/dbraw/zinc/76/29/97/362762997.db2.gz MWBKRLTYFDWYHG-DYEKYZERSA-N 2 0 240.391 1.861 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCOC2)C1 ZINC000070013729 349970960 /nfs/dbraw/zinc/97/09/60/349970960.db2.gz FLHPXKHEBATCSN-QWHCGFSZSA-N 2 0 226.364 1.485 20 0 BDADRP CCn1nccc1CC[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641800782 362753137 /nfs/dbraw/zinc/75/31/37/362753137.db2.gz FWJVJBDWMOMYKP-RYUDHWBXSA-N 2 0 236.363 1.161 20 0 BDADRP CCn1nccc1CC[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641800780 362753719 /nfs/dbraw/zinc/75/37/19/362753719.db2.gz FWJVJBDWMOMYKP-NEPJUHHUSA-N 2 0 236.363 1.161 20 0 BDADRP Cc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)c(C)n1 ZINC000641801848 362758118 /nfs/dbraw/zinc/75/81/18/362758118.db2.gz FSQQJXZBUGJZRV-STQMWFEESA-N 2 0 233.359 1.914 20 0 BDADRP CC1(C)C[N@H+](CCCn2ccnc2)CCO1 ZINC000182615187 347100218 /nfs/dbraw/zinc/10/02/18/347100218.db2.gz KSBPXLNAFIBQBS-UHFFFAOYSA-N 2 0 223.320 1.384 20 0 BDADRP Cn1cncc1CCC[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000577122723 365827084 /nfs/dbraw/zinc/82/70/84/365827084.db2.gz WWORVCPEDNCRBE-BETUJISGSA-N 2 0 233.359 1.941 20 0 BDADRP CC(C)(C)[C@H](CCO)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000300403434 346612183 /nfs/dbraw/zinc/61/21/83/346612183.db2.gz ZLYQDKGDMLIYBG-TUAOUCFPSA-N 2 0 228.380 1.643 20 0 BDADRP COCC(C)(C)C[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622005080 370655122 /nfs/dbraw/zinc/65/51/22/370655122.db2.gz YIMYEPSBENNWBS-WCQYABFASA-N 2 0 226.364 1.472 20 0 BDADRP Cc1ccc(O)c(CN2C[C@@H]3CCC[C@]3([NH3+])C2)n1 ZINC000622004843 370655447 /nfs/dbraw/zinc/65/54/47/370655447.db2.gz VMSCXZFBLRNVBJ-FZMZJTMJSA-N 2 0 247.342 1.409 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](C)[C@@H](CO)C2)CC[NH2+]1 ZINC000622004394 370655555 /nfs/dbraw/zinc/65/55/55/370655555.db2.gz OBCVKMZFSRDONT-AAVRWANBSA-N 2 0 240.391 1.325 20 0 BDADRP C[NH2+]CCCN1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000582063415 347157268 /nfs/dbraw/zinc/15/72/68/347157268.db2.gz FMFVBIPQTJPDIZ-CHWSQXEVSA-N 2 0 225.380 1.202 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)CC[NH2+]1 ZINC000582062275 347160168 /nfs/dbraw/zinc/16/01/68/347160168.db2.gz APPYGLXUGVAWFY-RQJABVFESA-N 2 0 238.375 1.485 20 0 BDADRP CC[NH+]1CCC([NH2+]CC2(CO)CCC2)CC1 ZINC000309653357 347130123 /nfs/dbraw/zinc/13/01/23/347130123.db2.gz OXNKKISFSCPJMH-UHFFFAOYSA-N 2 0 226.364 1.223 20 0 BDADRP CC[NH+]1CCC([NH2+]CCC2(O)CCC2)CC1 ZINC000309676212 347131507 /nfs/dbraw/zinc/13/15/07/347131507.db2.gz XWAHNUUUXSIQHF-UHFFFAOYSA-N 2 0 226.364 1.365 20 0 BDADRP Cc1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)on1 ZINC000631158547 347288398 /nfs/dbraw/zinc/28/83/98/347288398.db2.gz WIDCBPCRJNFIHO-LBPRGKRZSA-N 2 0 237.347 1.805 20 0 BDADRP FC(F)C1CCC([NH2+][C@@H]2CC[NH2+]C2)CC1 ZINC000335616252 136741867 /nfs/dbraw/zinc/74/18/67/136741867.db2.gz UVMGXGGQUSNMKG-UDNWOFFPSA-N 2 0 218.291 1.762 20 0 BDADRP CCC(C)(C)[C@H](C)[NH2+]CCN1CC[NH2+]CC1 ZINC000582116159 347377622 /nfs/dbraw/zinc/37/76/22/347377622.db2.gz SEAIZVMRFVETRO-LBPRGKRZSA-N 2 0 227.396 1.306 20 0 BDADRP CC[C@@H](C)C[NH2+]CC1([NH3+])CCOCC1 ZINC000149801277 347521857 /nfs/dbraw/zinc/52/18/57/347521857.db2.gz DTCUKAVZXKLFHS-SNVBAGLBSA-N 2 0 200.326 1.130 20 0 BDADRP CCOC(=O)CCCC[N@H+](C)CCC[NH3+] ZINC000592474260 347790650 /nfs/dbraw/zinc/79/06/50/347790650.db2.gz MYSCNUBZAADYOG-UHFFFAOYSA-N 2 0 216.325 1.000 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C[C@H]1C ZINC000252981188 347832862 /nfs/dbraw/zinc/83/28/62/347832862.db2.gz QAZVJORZQAIJIY-UPJWGTAASA-N 2 0 210.365 1.964 20 0 BDADRP CC(C)CN(CC[NH+](C)C)C(=O)CCCC[NH3+] ZINC000070202745 349977024 /nfs/dbraw/zinc/97/70/24/349977024.db2.gz MAKQYEDEQPFTJY-UHFFFAOYSA-N 2 0 243.395 1.162 20 0 BDADRP Cc1cccnc1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000161771354 179374018 /nfs/dbraw/zinc/37/40/18/179374018.db2.gz FQJFFGJVACAOKI-CHWSQXEVSA-N 2 0 233.359 1.949 20 0 BDADRP CSCC[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595508826 348264732 /nfs/dbraw/zinc/26/47/32/348264732.db2.gz YLYWVMMAFDVFQT-LBPRGKRZSA-N 2 0 228.405 1.767 20 0 BDADRP CSCC[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595508812 348265179 /nfs/dbraw/zinc/26/51/79/348265179.db2.gz YLYWVMMAFDVFQT-GFCCVEGCSA-N 2 0 228.405 1.767 20 0 BDADRP C([NH2+]C1CCCCCC1)[C@@H]1C[NH2+]CCCO1 ZINC000335628626 187393815 /nfs/dbraw/zinc/39/38/15/187393815.db2.gz OBDCBBYJFSQKOI-ZDUSSCGKSA-N 2 0 226.364 1.677 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@H]2COCC2(C)C)CC1 ZINC000313133195 187392795 /nfs/dbraw/zinc/39/27/95/187392795.db2.gz ZUOVZTCFFYNPCH-ZDUSSCGKSA-N 2 0 240.391 1.874 20 0 BDADRP CCC[N@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000669381994 538002261 /nfs/dbraw/zinc/00/22/61/538002261.db2.gz CWZOHZYLUMYOSC-RYUDHWBXSA-N 2 0 212.337 1.097 20 0 BDADRP COC(=O)c1cc(CN(C)CCC[NH3+])cs1 ZINC000595890363 348389954 /nfs/dbraw/zinc/38/99/54/348389954.db2.gz GXNSGIBPXGDBSO-UHFFFAOYSA-N 2 0 242.344 1.315 20 0 BDADRP CSCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000596648800 348604322 /nfs/dbraw/zinc/60/43/22/348604322.db2.gz AKSFACCISOQENG-ULKQDVFKSA-N 2 0 200.351 1.222 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623507569 362930752 /nfs/dbraw/zinc/93/07/52/362930752.db2.gz QPTDUJDPJINFLC-UPJWGTAASA-N 2 0 240.391 1.874 20 0 BDADRP CC[C@@H]1C[N@H+](C)CCN1CCC[NH+](CC)CC ZINC000518706637 538016838 /nfs/dbraw/zinc/01/68/38/538016838.db2.gz QTGPYOQACSCBLX-CQSZACIVSA-N 2 0 241.423 1.744 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCCO2)C1 ZINC000250816723 349180502 /nfs/dbraw/zinc/18/05/02/349180502.db2.gz FKBUMPCKCICVAL-IJLUTSLNSA-N 2 0 212.337 1.415 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCOCC2)C1 ZINC000250502139 349173926 /nfs/dbraw/zinc/17/39/26/349173926.db2.gz LTIRHYOKNSVPJE-KBPBESRZSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)CO[C@@H]1C[C@H]([NH2+]CCC[NH3+])C1(C)C ZINC000082923083 349221683 /nfs/dbraw/zinc/22/16/83/349221683.db2.gz PFOQUZRKFXBZOO-NWDGAFQWSA-N 2 0 228.380 1.765 20 0 BDADRP FC(F)COCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400942553 538034867 /nfs/dbraw/zinc/03/48/67/538034867.db2.gz DHHDLOWAEAMTNV-HBNTYKKESA-N 2 0 248.317 1.246 20 0 BDADRP CCC[C@H](O)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000253019856 349226360 /nfs/dbraw/zinc/22/63/60/349226360.db2.gz JJQKOKQOVPDDHL-DCAQKATOSA-N 2 0 200.326 1.007 20 0 BDADRP CC[C@@H]1CCC[C@H]1[NH2+][C@@H](CCC[NH3+])COC ZINC000388608741 349256791 /nfs/dbraw/zinc/25/67/91/349256791.db2.gz WYZIHIUNFLMBPJ-FRRDWIJNSA-N 2 0 228.380 1.909 20 0 BDADRP [NH3+][C@H]1CCN(Cc2ccnc3ccccc23)C1 ZINC000060310747 349283887 /nfs/dbraw/zinc/28/38/87/349283887.db2.gz SJLVDMAYJKFQJG-LBPRGKRZSA-N 2 0 227.311 1.768 20 0 BDADRP C[NH2+]CCC[NH+]1CCC(SC)CC1 ZINC000300840344 349362057 /nfs/dbraw/zinc/36/20/57/349362057.db2.gz MAQGCPGZYSXPHO-UHFFFAOYSA-N 2 0 202.367 1.423 20 0 BDADRP C[C@H](c1cnccn1)[NH+]1CCC(CC[NH3+])CC1 ZINC000070480075 350014834 /nfs/dbraw/zinc/01/48/34/350014834.db2.gz JQLYRSDCZRFONJ-LLVKDONJSA-N 2 0 234.347 1.598 20 0 BDADRP CC[C@@H](COC)[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000070656684 350039822 /nfs/dbraw/zinc/03/98/22/350039822.db2.gz WQNKMXCKBMGFDT-OLZOCXBDSA-N 2 0 228.380 1.731 20 0 BDADRP CC[C@H](COC)[NH2+]CC1CC[NH+](CC)CC1 ZINC000070656741 350040010 /nfs/dbraw/zinc/04/00/10/350040010.db2.gz AXCNRYPERFVHBY-CYBMUJFWSA-N 2 0 228.380 1.733 20 0 BDADRP C[C@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)C[NH+](C)C ZINC000623530245 362949609 /nfs/dbraw/zinc/94/96/09/362949609.db2.gz RIYNLJQEFPPHPT-CHWSQXEVSA-N 2 0 241.423 1.647 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCOC2)CC[N@@H+]1C ZINC000132480995 191031205 /nfs/dbraw/zinc/03/12/05/191031205.db2.gz YMZJWUJAHKSKON-AGIUHOORSA-N 2 0 226.364 1.485 20 0 BDADRP COCCCC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000132406616 191031361 /nfs/dbraw/zinc/03/13/61/191031361.db2.gz RVWATYPRWVQBFE-NEPJUHHUSA-N 2 0 214.353 1.343 20 0 BDADRP CCC(CC)(CC)[NH2+]CCN1CC[NH2+]CC1 ZINC000083388640 350193433 /nfs/dbraw/zinc/19/34/33/350193433.db2.gz GOFAOQFDBGSCMN-UHFFFAOYSA-N 2 0 227.396 1.450 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000083525770 350236850 /nfs/dbraw/zinc/23/68/50/350236850.db2.gz LCMICLSKRHQQCU-WCQYABFASA-N 2 0 226.364 1.615 20 0 BDADRP Cn1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000126372909 191083358 /nfs/dbraw/zinc/08/33/58/191083358.db2.gz SIAFUAWUGSZIKD-ZIAGYGMSSA-N 2 0 235.375 1.988 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(O)CCCC2)[C@@H](C)C1 ZINC000305112951 490437675 /nfs/dbraw/zinc/43/76/75/490437675.db2.gz GQYLQMJBXMFWBQ-QWHCGFSZSA-N 2 0 240.391 1.611 20 0 BDADRP CC[C@@H]1C[C@@H](C)C[N@@H+]1C[C@@H](O)CN(C)CC ZINC000309305994 350274421 /nfs/dbraw/zinc/27/44/21/350274421.db2.gz ZRFAOMHQWGBULA-UPJWGTAASA-N 2 0 228.380 1.419 20 0 BDADRP Cc1ccc(CN2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000026472784 350278100 /nfs/dbraw/zinc/27/81/00/350278100.db2.gz FAAJGRKBWPZWPV-AWEZNQCLSA-N 2 0 234.343 1.545 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000038043751 350302862 /nfs/dbraw/zinc/30/28/62/350302862.db2.gz KKGOVLHBWDIJRY-LBPRGKRZSA-N 2 0 226.364 1.487 20 0 BDADRP CC(C)(C)[C@H](CO)[NH2+]CCC[NH+]1CCCC1 ZINC000309352579 350350766 /nfs/dbraw/zinc/35/07/66/350350766.db2.gz NFLSHIJBGZXNHO-LBPRGKRZSA-N 2 0 228.380 1.469 20 0 BDADRP C([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCSC1 ZINC000300234458 191097176 /nfs/dbraw/zinc/09/71/76/191097176.db2.gz VBKYCHRLJVRKNW-JHJVBQTASA-N 2 0 240.416 1.956 20 0 BDADRP CCC1CC[NH+](C[C@H](O)C[N@H+](C)CC)CC1 ZINC000309214833 323329620 /nfs/dbraw/zinc/32/96/20/323329620.db2.gz FHUQSSPYJBOIPW-CYBMUJFWSA-N 2 0 228.380 1.421 20 0 BDADRP C[NH2+]CCC[N@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000328166085 350377011 /nfs/dbraw/zinc/37/70/11/350377011.db2.gz IXJMVKMMLOXKKG-NEPJUHHUSA-N 2 0 214.353 1.079 20 0 BDADRP C[C@H](CC1CC1)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000069665521 350377053 /nfs/dbraw/zinc/37/70/53/350377053.db2.gz HRRXNKDAHHATNY-YPMHNXCESA-N 2 0 226.364 1.221 20 0 BDADRP COCC[C@@H](C)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069723873 350392423 /nfs/dbraw/zinc/39/24/23/350392423.db2.gz SBMBDAOSCFIDFJ-VXGBXAGGSA-N 2 0 214.353 1.472 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C2CCC([NH3+])CC2)[C@@H](C)O1 ZINC000384661178 350443588 /nfs/dbraw/zinc/44/35/88/350443588.db2.gz WAOAEQHGLASMKV-GQYKCQBRSA-N 2 0 212.337 1.412 20 0 BDADRP CCCCOCC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000577492645 365968396 /nfs/dbraw/zinc/96/83/96/365968396.db2.gz HPQXEJLYGYYBIG-AWEZNQCLSA-N 2 0 240.391 1.879 20 0 BDADRP COCCN1CCC[C@H]1C[NH2+][C@H](C)C1(C)CC1 ZINC000163419415 350521232 /nfs/dbraw/zinc/52/12/32/350521232.db2.gz CBJZNMHINYDZME-OLZOCXBDSA-N 2 0 240.391 1.875 20 0 BDADRP CC1(C)CC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000336652740 350586319 /nfs/dbraw/zinc/58/63/19/350586319.db2.gz IWXWJWVFDDOJQV-RYUDHWBXSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)O1 ZINC000251898935 362980906 /nfs/dbraw/zinc/98/09/06/362980906.db2.gz SJLGAHGNYGNTEG-DDHJBXDOSA-N 2 0 212.337 1.223 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CCCCO2)CC[C@H]1[NH3+] ZINC000251929352 362987537 /nfs/dbraw/zinc/98/75/37/362987537.db2.gz YPLLHDHUWPWLPF-IJLUTSLNSA-N 2 0 212.337 1.225 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000422793345 192472579 /nfs/dbraw/zinc/47/25/79/192472579.db2.gz XZTCFHUNCSWIKR-ZOBORPQBSA-N 2 0 240.391 1.515 20 0 BDADRP CO[C@@]1(C)C[C@H]1[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623574626 363004943 /nfs/dbraw/zinc/00/49/43/363004943.db2.gz SFBAETYPCVNSKZ-LOWVWBTDSA-N 2 0 226.364 1.626 20 0 BDADRP COCC[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000224436952 259418250 /nfs/dbraw/zinc/41/82/50/259418250.db2.gz JHYCFXPLYKIYBW-RWMBFGLXSA-N 2 0 228.380 1.874 20 0 BDADRP C[C@H]1C[C@@H]([NH3+])CCN1CCC(F)(F)F ZINC000063100441 351140791 /nfs/dbraw/zinc/14/07/91/351140791.db2.gz FHGMCPAUAMWOLK-YUMQZZPRSA-N 2 0 210.243 1.750 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)[C@H](C)OC)C1 ZINC000252715827 538100648 /nfs/dbraw/zinc/10/06/48/538100648.db2.gz WVAISFWRELLGNY-FRRDWIJNSA-N 2 0 228.380 1.731 20 0 BDADRP CC(C)CC[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000571653109 351588087 /nfs/dbraw/zinc/58/80/87/351588087.db2.gz FWVWMAWIPHMDRE-UHFFFAOYSA-N 2 0 242.407 1.857 20 0 BDADRP CC[NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000637841295 351697466 /nfs/dbraw/zinc/69/74/66/351697466.db2.gz OEKKUVHLVHRBQH-JTQLQIEISA-N 2 0 247.342 1.269 20 0 BDADRP CC[NH2+][C@H](C)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000637843368 351702419 /nfs/dbraw/zinc/70/24/19/351702419.db2.gz DUETYQRIFVIGEH-ZYHUDNBSSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C2=CC[C@@H]([NH3+])C2)cc1 ZINC000637856763 351716695 /nfs/dbraw/zinc/71/66/95/351716695.db2.gz QZNBQHMMVMDLMQ-BXKDBHETSA-N 2 0 245.326 1.692 20 0 BDADRP CC(C)CC[C@@H]([NH3+])C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000637852230 351711518 /nfs/dbraw/zinc/71/15/18/351711518.db2.gz VCRNKUYXUYXGGQ-DGCLKSJQSA-N 2 0 243.395 1.240 20 0 BDADRP COCCC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000178029847 366079460 /nfs/dbraw/zinc/07/94/60/366079460.db2.gz YEAVDVBCGMSAAH-CHWSQXEVSA-N 2 0 228.380 1.733 20 0 BDADRP CC[NH2+][C@@H](C)C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000638058408 351934461 /nfs/dbraw/zinc/93/44/61/351934461.db2.gz BPDAEMLXLVKEHK-NWDGAFQWSA-N 2 0 243.395 1.077 20 0 BDADRP CC[NH2+][C@H](C)C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000638058401 351934481 /nfs/dbraw/zinc/93/44/81/351934481.db2.gz BPDAEMLXLVKEHK-NEPJUHHUSA-N 2 0 243.395 1.077 20 0 BDADRP [NH3+]C[C@@H](N[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000414854746 351905835 /nfs/dbraw/zinc/90/58/35/351905835.db2.gz VJBHTNWMGASQNG-QWHCGFSZSA-N 2 0 225.380 1.236 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](CCC[C@H]2CCO2)C1 ZINC000638131750 352001726 /nfs/dbraw/zinc/00/17/26/352001726.db2.gz DRBJMQCOCROVAD-KGLIPLIRSA-N 2 0 240.391 1.829 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000638208375 352070783 /nfs/dbraw/zinc/07/07/83/352070783.db2.gz FAQAEQIBPVETCB-SRVKXCTJSA-N 2 0 241.379 1.007 20 0 BDADRP CCC[C@H](C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638297871 352130016 /nfs/dbraw/zinc/13/00/16/352130016.db2.gz CMSKGZDCIFURCB-LBPRGKRZSA-N 2 0 242.407 2.000 20 0 BDADRP CC(C)C[C@@H](CCO)C[NH2+][C@H](C)CCC[NH3+] ZINC000422800738 192473189 /nfs/dbraw/zinc/47/31/89/192473189.db2.gz AFFHSDUUCAOTGH-CHWSQXEVSA-N 2 0 230.396 1.748 20 0 BDADRP CO[C@H](C[NH2+]CCCC[NH+](C)C)CC(C)C ZINC000638452269 352263037 /nfs/dbraw/zinc/26/30/37/352263037.db2.gz WNPANBAXXGGRPG-ZDUSSCGKSA-N 2 0 230.396 1.979 20 0 BDADRP CCN(CC[NH3+])C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000638522454 352355863 /nfs/dbraw/zinc/35/58/63/352355863.db2.gz HFMKJSPUXXOWJX-ZDUSSCGKSA-N 2 0 249.358 1.274 20 0 BDADRP CO[C@@H](C[NH2+]CC1CC[NH+](C)CC1)CC(C)C ZINC000638567147 352393756 /nfs/dbraw/zinc/39/37/56/352393756.db2.gz XXTHIEVABVEZQD-CQSZACIVSA-N 2 0 242.407 1.979 20 0 BDADRP CC[NH+]1CCC([NH2+]CCc2nccnc2C)CC1 ZINC000295130181 352398241 /nfs/dbraw/zinc/39/82/41/352398241.db2.gz ZUCUWYFZQKRTJZ-UHFFFAOYSA-N 2 0 248.374 1.401 20 0 BDADRP C[NH+](C)CC(C)(C)C[NH2+]C[C@@H]1CCSC1 ZINC000224277981 363190163 /nfs/dbraw/zinc/19/01/63/363190163.db2.gz RYWMVHJNRZWKND-NSHDSACASA-N 2 0 230.421 1.917 20 0 BDADRP CCOC1CC(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000638707693 352544061 /nfs/dbraw/zinc/54/40/61/352544061.db2.gz KGLFZJSXXZGMOU-RJZJGCCBSA-N 2 0 240.391 1.874 20 0 BDADRP CCOC[C@H](C)[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000415014127 352550517 /nfs/dbraw/zinc/55/05/17/352550517.db2.gz ZHQLWVRXYMSYSR-SRVKXCTJSA-N 2 0 214.353 1.519 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000300368873 352561088 /nfs/dbraw/zinc/56/10/88/352561088.db2.gz UZZOZJXRNHKHMM-RWMBFGLXSA-N 2 0 227.396 1.576 20 0 BDADRP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000638764428 352703484 /nfs/dbraw/zinc/70/34/84/352703484.db2.gz CLPHSKBORXNLGF-OUJBWJOFSA-N 2 0 247.342 1.187 20 0 BDADRP C[C@@H]1CCN(CC[NH2+][C@@H]2CS[C@@H](C)C2)C1 ZINC000638870641 353042772 /nfs/dbraw/zinc/04/27/72/353042772.db2.gz DUYYZDZBYAVQDV-WOPDTQHZSA-N 2 0 228.405 1.812 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000357022733 188066087 /nfs/dbraw/zinc/06/60/87/188066087.db2.gz BTIHKGOBRACICP-HNNXBMFYSA-N 2 0 248.370 1.669 20 0 BDADRP C(C[NH+]1CCCC1)C[N@@H+]1CCC[C@]12CCOC2 ZINC000367458993 188072218 /nfs/dbraw/zinc/07/22/18/188072218.db2.gz PXEZBFYROKVCLR-CQSZACIVSA-N 2 0 238.375 1.727 20 0 BDADRP CC(C)C[C@H](CNC(=O)[C@H]([NH3+])C(C)C)[NH+](C)C ZINC000040831274 188084150 /nfs/dbraw/zinc/08/41/50/188084150.db2.gz LRLBUXOXKUELGP-VXGBXAGGSA-N 2 0 243.395 1.062 20 0 BDADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)C(C)(C)C[NH3+] ZINC000044752119 188084885 /nfs/dbraw/zinc/08/48/85/188084885.db2.gz HUHXXAOPEWFMLY-LLVKDONJSA-N 2 0 243.395 1.064 20 0 BDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(C)(C)C[NH3+] ZINC000044752117 188085432 /nfs/dbraw/zinc/08/54/32/188085432.db2.gz HUHXXAOPEWFMLY-NSHDSACASA-N 2 0 243.395 1.064 20 0 BDADRP C(CN1CCCCCC1)[NH2+][C@@H]1CCSC1 ZINC000040767083 188145928 /nfs/dbraw/zinc/14/59/28/188145928.db2.gz HREXRCAWGNGAAI-GFCCVEGCSA-N 2 0 228.405 1.958 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+]C[C@H]1CCCO1 ZINC000040410264 188129162 /nfs/dbraw/zinc/12/91/62/188129162.db2.gz OHHNRONDYRMNFD-WDEREUQCSA-N 2 0 200.326 1.128 20 0 BDADRP C(C[N@@H+]1CCC[C@H]2CCC[C@@H]21)N1CC[NH2+]CC1 ZINC000227167827 188155585 /nfs/dbraw/zinc/15/55/85/188155585.db2.gz XYLYITNETPZYED-KGLIPLIRSA-N 2 0 237.391 1.156 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@H]1CCC[C@H]1C[NH3+] ZINC000300366729 188157044 /nfs/dbraw/zinc/15/70/44/188157044.db2.gz FWPKUXLHASIMMX-STQMWFEESA-N 2 0 227.396 1.434 20 0 BDADRP Cc1ccc(CN(C)CC(C)(C)C[NH3+])cn1 ZINC000162303528 188159328 /nfs/dbraw/zinc/15/93/28/188159328.db2.gz XJNTYNTWUIGMLW-UHFFFAOYSA-N 2 0 221.348 1.807 20 0 BDADRP C(C[NH+]1CCC2(CC[NH2+]C2)CC1)[C@H]1CC[NH2+]C1 ZINC000334996039 188160391 /nfs/dbraw/zinc/16/03/91/188160391.db2.gz KIBPLGXHYRXKCS-CYBMUJFWSA-N 3 0 237.391 1.062 20 0 BDADRP COc1ccccc1C[C@@H](C)[NH2+]CCC[NH3+] ZINC000037713774 188161219 /nfs/dbraw/zinc/16/12/19/188161219.db2.gz PUKUEFBGSOEMQP-LLVKDONJSA-N 2 0 222.332 1.565 20 0 BDADRP CC(C)[NH+]1CCC(O)(C[NH2+]CC2CC2)CC1 ZINC000309542833 188168158 /nfs/dbraw/zinc/16/81/58/188168158.db2.gz GUIXBFGTKAUIEM-UHFFFAOYSA-N 2 0 226.364 1.221 20 0 BDADRP CC(C)[N@@H+](C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000236648000 188148861 /nfs/dbraw/zinc/14/88/61/188148861.db2.gz OEAUQWQCVKNWER-VXGBXAGGSA-N 2 0 241.379 1.055 20 0 BDADRP C[C@@H]([NH2+]CCOCc1ccccc1)C1C[NH2+]C1 ZINC000422824158 192481393 /nfs/dbraw/zinc/48/13/93/192481393.db2.gz NEKPEYNQNGHCET-GFCCVEGCSA-N 2 0 234.343 1.401 20 0 BDADRP C([NH2+]C[C@@H]1CCCOC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000111319962 188176280 /nfs/dbraw/zinc/17/62/80/188176280.db2.gz CUKDYYXYEAOMDQ-STQMWFEESA-N 2 0 238.375 1.487 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000331966779 188190342 /nfs/dbraw/zinc/19/03/42/188190342.db2.gz KYLSMSPCRIIFFL-IJLUTSLNSA-N 2 0 213.369 1.219 20 0 BDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)CC[C@H](C)[NH3+] ZINC000070315056 188219967 /nfs/dbraw/zinc/21/99/67/188219967.db2.gz FSRZWLNFPASERK-RYUDHWBXSA-N 2 0 243.395 1.206 20 0 BDADRP C1C[NH2+][C@H]([C@@H]2CCC[C@@H]2[NH2+][C@H]2CCOC2)C1 ZINC000250667622 188220861 /nfs/dbraw/zinc/22/08/61/188220861.db2.gz SHPHRNBJMHHZFP-CYDGBPFRSA-N 2 0 224.348 1.286 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@@H]1CCC[C@H]1C[NH3+] ZINC000250224449 353269831 /nfs/dbraw/zinc/26/98/31/353269831.db2.gz FFHSXKIHQBZPJP-YNEHKIRRSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@H]1C[N@H+](CCC2CC[NH2+]CC2)C[C@H]1N(C)C ZINC000251798448 353287955 /nfs/dbraw/zinc/28/79/55/353287955.db2.gz NVEKYAWKJLHEMG-GXTWGEPZSA-N 2 0 239.407 1.258 20 0 BDADRP C(CN1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCC[NH2+]C1 ZINC000094460855 188223122 /nfs/dbraw/zinc/22/31/22/188223122.db2.gz RPGQEPPOLHEAMO-ZIAGYGMSSA-N 2 0 237.391 1.156 20 0 BDADRP C([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)C1CC1 ZINC000096731407 188224018 /nfs/dbraw/zinc/22/40/18/188224018.db2.gz UPMZANQJTXOCIL-CYBMUJFWSA-N 2 0 238.375 1.487 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC[C@H]3CCCO3)C[C@@H]21 ZINC000252862674 353311859 /nfs/dbraw/zinc/31/18/59/353311859.db2.gz ODVDMYXIPXTOQR-YIYPIFLZSA-N 2 0 238.375 1.615 20 0 BDADRP OC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CCC1 ZINC000252978273 353313965 /nfs/dbraw/zinc/31/39/65/353313965.db2.gz BCBZDFQFMSRBHI-YNEHKIRRSA-N 2 0 238.375 1.412 20 0 BDADRP CC(C)CN1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000055079588 353346371 /nfs/dbraw/zinc/34/63/71/353346371.db2.gz SFFHKYBRIXEFMP-UHFFFAOYSA-N 2 0 239.407 1.260 20 0 BDADRP COCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000226422411 363217990 /nfs/dbraw/zinc/21/79/90/363217990.db2.gz YJVBPVVAPZAPNA-NWDGAFQWSA-N 2 0 214.353 1.472 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@]1(CC)CCC[NH2+]1 ZINC000134369932 353495182 /nfs/dbraw/zinc/49/51/82/353495182.db2.gz DRDORNODFRBRII-WCQYABFASA-N 2 0 241.379 1.152 20 0 BDADRP C[C@H](Cn1cccn1)NCC[NH2+]C(C)(C)C ZINC000230972162 353556114 /nfs/dbraw/zinc/55/61/14/353556114.db2.gz CVSQYUWNZIDWBJ-LLVKDONJSA-N 2 0 224.352 1.249 20 0 BDADRP CC[C@](C)(C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)OC ZINC000639113234 353710381 /nfs/dbraw/zinc/71/03/81/353710381.db2.gz LMEDGOZJHHTJGE-FRRDWIJNSA-N 2 0 226.364 1.295 20 0 BDADRP Fc1cncc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000300420082 181021272 /nfs/dbraw/zinc/02/12/72/181021272.db2.gz MRNZXRQORUFKBU-KBPBESRZSA-N 2 0 249.333 1.937 20 0 BDADRP CC[NH2+]CCCNC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000577951754 366135418 /nfs/dbraw/zinc/13/54/18/366135418.db2.gz PLLIRBHLSZOSCW-NSHDSACASA-N 2 0 249.358 1.436 20 0 BDADRP Fc1cncc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000334592054 354246064 /nfs/dbraw/zinc/24/60/64/354246064.db2.gz XWQJCPNWORJLLR-UHFFFAOYSA-N 2 0 249.333 1.796 20 0 BDADRP C=Cn1cc(CN[C@H]2CC[N@H+](C)[C@@H](C)C2)cn1 ZINC000235712145 358485304 /nfs/dbraw/zinc/48/53/04/358485304.db2.gz WAIUHRNTJILVOM-AAEUAGOBSA-N 2 0 234.347 1.556 20 0 BDADRP COC1CCC([NH2+][C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000334615703 354302518 /nfs/dbraw/zinc/30/25/18/354302518.db2.gz MPPJQJNUYZYMSE-FIYWTHMPSA-N 2 0 226.364 1.804 20 0 BDADRP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000344435290 354272896 /nfs/dbraw/zinc/27/28/96/354272896.db2.gz CSKYMYVMPOQEPU-MJBXVCDLSA-N 2 0 242.407 1.713 20 0 BDADRP CCC[C@H](O)C[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000167555032 134011318 /nfs/dbraw/zinc/01/13/18/134011318.db2.gz XXCHPIHEZIFPIM-AVGNSLFASA-N 2 0 228.380 1.467 20 0 BDADRP COCC(C)(C)C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415001701 229709375 /nfs/dbraw/zinc/70/93/75/229709375.db2.gz LFCSATHGFCMPLS-NEPJUHHUSA-N 2 0 228.380 1.766 20 0 BDADRP C[C@H]1CC[C@H](C)[NH+]1Cc1cnc(N(C)C)n1C ZINC000335085886 354620116 /nfs/dbraw/zinc/62/01/16/354620116.db2.gz OIGQJTGDVMUPLS-QWRGUYRKSA-N 2 0 236.363 1.859 20 0 BDADRP CC[C@](C)(C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1)OC ZINC000639204159 354620606 /nfs/dbraw/zinc/62/06/06/354620606.db2.gz PKGMTXJOGBVMSN-KGLIPLIRSA-N 2 0 240.391 1.829 20 0 BDADRP CC(C)CCC[NH2+]CCOCC[NH+](C)C ZINC000232543544 363374944 /nfs/dbraw/zinc/37/49/44/363374944.db2.gz CODMVRVBGQINLL-UHFFFAOYSA-N 2 0 216.369 1.590 20 0 BDADRP C[C@@]1(CCCO)CCC[N@@H+]1CCn1ccnc1 ZINC000345955696 354820063 /nfs/dbraw/zinc/82/00/63/354820063.db2.gz KZDHSTZWHBWUEM-ZDUSSCGKSA-N 2 0 237.347 1.510 20 0 BDADRP C[C@H](CC[NH2+]C[C@@H]1C[NH2+]C[C@H]1O)c1ccccc1 ZINC000345998387 354836201 /nfs/dbraw/zinc/83/62/01/354836201.db2.gz WHSBGUWMVOEFOF-BPLDGKMQSA-N 2 0 248.370 1.350 20 0 BDADRP C[C@H](C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O)Cc1ccccc1 ZINC000346005435 354837865 /nfs/dbraw/zinc/83/78/65/354837865.db2.gz GHZFTUQTETXHQV-NWANDNLSSA-N 2 0 248.370 1.035 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C2(C)C[NH2+]C2)cc1 ZINC000335145945 354856734 /nfs/dbraw/zinc/85/67/34/354856734.db2.gz LCBPRSAHNHZGDV-SECBINFHSA-N 2 0 233.315 1.254 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1cccs1 ZINC000234733012 363428686 /nfs/dbraw/zinc/42/86/86/363428686.db2.gz QABNDRBYFNFJIN-SNVBAGLBSA-N 2 0 228.361 1.592 20 0 BDADRP C[C@H]([NH3+])c1ccc(N[C@H]2CCC[NH2+]C2)cc1 ZINC000335177379 354946705 /nfs/dbraw/zinc/94/67/05/354946705.db2.gz JSDUYSJXMSDJOL-GWCFXTLKSA-N 2 0 219.332 1.870 20 0 BDADRP CC[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H]2C[NH2+]C)CCO1 ZINC000346678600 355010011 /nfs/dbraw/zinc/01/00/11/355010011.db2.gz MEEKTWBJDDQKBM-BFHYXJOUSA-N 2 0 240.391 1.875 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000346681249 355010673 /nfs/dbraw/zinc/01/06/73/355010673.db2.gz CPUWZQADWPENCN-UHFFFAOYSA-N 2 0 248.326 1.586 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc3c2OCO3)C1 ZINC000346633551 355014877 /nfs/dbraw/zinc/01/48/77/355014877.db2.gz FMJFVAYXTNKPBS-MNOVXSKESA-N 2 0 248.326 1.584 20 0 BDADRP CC[C@@H]1C[C@H](C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)CCO1 ZINC000346645630 355017242 /nfs/dbraw/zinc/01/72/42/355017242.db2.gz DZMNFRCXGUYGDQ-YIYPIFLZSA-N 2 0 240.391 1.861 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCc2ccccc2C1)C1C[NH2+]C1 ZINC000335220890 355061153 /nfs/dbraw/zinc/06/11/53/355061153.db2.gz VUOQNMODXBCXKN-IAQYHMDHSA-N 2 0 230.355 1.741 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2CCC[NH+](C)[C@H]2C)CC[N@@H+]1C ZINC000346803366 355109073 /nfs/dbraw/zinc/10/90/73/355109073.db2.gz VJOMGJCGGFCHSX-XJFOESAGSA-N 2 0 239.407 1.541 20 0 BDADRP C[N@H+](CCc1ccccc1O)C[C@H]1CCC[NH2+]C1 ZINC000346975531 355209073 /nfs/dbraw/zinc/20/90/73/355209073.db2.gz JHPCGXDWADDHDN-ZDUSSCGKSA-N 2 0 248.370 1.866 20 0 BDADRP CC[N@@H+]1CC[C@@H](N(C)CC(C)(C)[NH3+])[C@H](C)C1 ZINC000346973907 355209130 /nfs/dbraw/zinc/20/91/30/355209130.db2.gz IMHYYNQKJWRSLO-VXGBXAGGSA-N 2 0 227.396 1.386 20 0 BDADRP C[N@H+](C[C@H]1CCC[C@@H]1O)CC1CC[NH2+]CC1 ZINC000346989424 355189283 /nfs/dbraw/zinc/18/92/83/355189283.db2.gz RJPIZXXFOCGQJG-OLZOCXBDSA-N 2 0 226.364 1.079 20 0 BDADRP CC[N@H+](C)C[C@@H]1CCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000347005398 355201948 /nfs/dbraw/zinc/20/19/48/355201948.db2.gz PFIXQZHRGQTQTN-KBPBESRZSA-N 2 0 239.407 1.260 20 0 BDADRP CO[C@@H](C[NH2+]CC[C@H]1CCC[N@H+](C)C1)C1CC1 ZINC000639256710 355300199 /nfs/dbraw/zinc/30/01/99/355300199.db2.gz DTRLFVRGCCDLHT-OCCSQVGLSA-N 2 0 240.391 1.733 20 0 BDADRP CO[C@@H](C[NH2+]CC[C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000639256709 355300215 /nfs/dbraw/zinc/30/02/15/355300215.db2.gz DTRLFVRGCCDLHT-JSGCOSHPSA-N 2 0 240.391 1.733 20 0 BDADRP NC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000372692415 181189665 /nfs/dbraw/zinc/18/96/65/181189665.db2.gz HEYZOPCDSUAXHT-ZDUSSCGKSA-N 2 0 246.358 1.177 20 0 BDADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CC23CC3)CC1 ZINC000639277579 355357422 /nfs/dbraw/zinc/35/74/22/355357422.db2.gz QLUCCCAZRMNIOJ-GFCCVEGCSA-N 2 0 238.375 1.364 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CCCCN1CC[NH2+]C(C)(C)C ZINC000414647789 191542262 /nfs/dbraw/zinc/54/22/62/191542262.db2.gz AEYZNNBUTPBUOP-VXGBXAGGSA-N 2 0 227.396 1.576 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+](C)[C@H](CO)C(C)(C)C)CC[NH2+]1 ZINC000414698590 191548153 /nfs/dbraw/zinc/54/81/53/191548153.db2.gz DFNABZFIMCPKBT-JHJVBQTASA-N 2 0 242.407 1.713 20 0 BDADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCO[C@H]1C ZINC000349725946 355420488 /nfs/dbraw/zinc/42/04/88/355420488.db2.gz YZVBMBUYHXMBJC-QWHCGFSZSA-N 2 0 244.379 1.112 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[C@H](C)C[C@H]1C[NH3+] ZINC000414766898 191564496 /nfs/dbraw/zinc/56/44/96/191564496.db2.gz IRMYMDFNGMVHQS-AVGNSLFASA-N 2 0 227.396 1.419 20 0 BDADRP c1ccc2c(c1)C[NH2+]CCN2C[C@@H]1CCC[NH2+]C1 ZINC000335801419 355494770 /nfs/dbraw/zinc/49/47/70/355494770.db2.gz ZATIHYPIMDJKFD-CYBMUJFWSA-N 2 0 245.370 1.596 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+]C[C@@H](N)c2ccccc2)CC[NH2+]1 ZINC000414828576 191589823 /nfs/dbraw/zinc/58/98/23/191589823.db2.gz IXQXZGYONCHNRR-UMVBOHGHSA-N 2 0 247.386 1.664 20 0 BDADRP Clc1cnc(C[NH2+]CC[C@@H]2CC[NH2+]C2)s1 ZINC000414840938 191597034 /nfs/dbraw/zinc/59/70/34/191597034.db2.gz XMCJFZRFUHGGOV-QMMMGPOBSA-N 2 0 245.779 1.886 20 0 BDADRP COc1ccc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000415050263 191652164 /nfs/dbraw/zinc/65/21/64/191652164.db2.gz YETJSGXHQIAXJI-QWHCGFSZSA-N 2 0 234.343 1.912 20 0 BDADRP COc1ccc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000415050259 191652776 /nfs/dbraw/zinc/65/27/76/191652776.db2.gz YETJSGXHQIAXJI-CHWSQXEVSA-N 2 0 234.343 1.912 20 0 BDADRP CC[C@H](COC)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415025468 191655727 /nfs/dbraw/zinc/65/57/27/191655727.db2.gz QCGFVUUZUPGBBC-JHJVBQTASA-N 2 0 228.380 1.766 20 0 BDADRP C[C@H](CC1CCOCC1)[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415038894 191660225 /nfs/dbraw/zinc/66/02/25/191660225.db2.gz NULYHXJAQCODPO-XBFCOCLRSA-N 2 0 240.391 1.909 20 0 BDADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3c[nH]nc3c2)C1 ZINC000415045926 191661883 /nfs/dbraw/zinc/66/18/83/191661883.db2.gz UQXGHLDUKGEOIE-ZWNOBZJWSA-N 2 0 244.342 1.780 20 0 BDADRP Cc1n[nH]cc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350174511 355619900 /nfs/dbraw/zinc/61/99/00/355619900.db2.gz BVXSPLQTKJMAJL-UHFFFAOYSA-N 2 0 236.363 1.492 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]1CC1(F)F ZINC000639313489 355690946 /nfs/dbraw/zinc/69/09/46/355690946.db2.gz WFJRYZTXRPDFSE-CHWFTXMASA-N 2 0 232.318 1.960 20 0 BDADRP C[NH+](C)Cc1ccc(-c2noc(CC[NH3+])n2)cc1 ZINC000350724192 355749223 /nfs/dbraw/zinc/74/92/23/355749223.db2.gz IGCGYFNCSUIQDW-UHFFFAOYSA-N 2 0 246.314 1.299 20 0 BDADRP CCc1noc(C)c1CN1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000336022273 134056083 /nfs/dbraw/zinc/05/60/83/134056083.db2.gz JYIJRXUYCVDQQZ-NWDGAFQWSA-N 2 0 249.358 1.587 20 0 BDADRP COc1ccccc1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000216026804 355797088 /nfs/dbraw/zinc/79/70/88/355797088.db2.gz ICLRNIILWSLOKQ-VXGBXAGGSA-N 2 0 234.343 1.864 20 0 BDADRP C[C@H]1C[N@H+](Cc2cccc3c2NCC3)CC[C@H]1[NH3+] ZINC000336055832 134066349 /nfs/dbraw/zinc/06/63/49/134066349.db2.gz PIQNPUOWVIIDOJ-SMDDNHRTSA-N 2 0 245.370 1.824 20 0 BDADRP CC[C@@H](C)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000040770003 358499625 /nfs/dbraw/zinc/49/96/25/358499625.db2.gz CFIQCXGAJGBKNW-ZIAGYGMSSA-N 2 0 241.423 1.647 20 0 BDADRP CO[C@H]1CC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000351331654 355980447 /nfs/dbraw/zinc/98/04/47/355980447.db2.gz RUVLSNBPZLYNGZ-STQMWFEESA-N 2 0 226.364 1.582 20 0 BDADRP CC(C)n1ccnc1CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351496327 356003133 /nfs/dbraw/zinc/00/31/33/356003133.db2.gz RBIRTZAKHPHQNS-AVGNSLFASA-N 2 0 248.374 1.633 20 0 BDADRP CC[C@H](C)[C@H](C)[NH2+]C[C@H](O)C[N@H+](C)CC ZINC000393725605 355948625 /nfs/dbraw/zinc/94/86/25/355948625.db2.gz YVOXMKFGCUPKTA-SRVKXCTJSA-N 2 0 216.369 1.323 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1cnn(C)c1 ZINC000335919117 356166239 /nfs/dbraw/zinc/16/62/39/356166239.db2.gz IKJIXAQIBITZQU-WCQYABFASA-N 2 0 236.363 1.192 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[NH+]1CCC([NH+](C)C)CC1 ZINC000639450512 356234778 /nfs/dbraw/zinc/23/47/78/356234778.db2.gz QJRRRRNIPILGEG-NWDGAFQWSA-N 2 0 226.364 1.437 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCCCN1CC[C@@H]1CC[NH2+]C1 ZINC000420265198 192192498 /nfs/dbraw/zinc/19/24/98/192192498.db2.gz BHZKFSGFFIPMAY-AVGNSLFASA-N 2 0 225.380 1.188 20 0 BDADRP C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H]1CCCCO1 ZINC000420318533 192194891 /nfs/dbraw/zinc/19/48/91/192194891.db2.gz QCUAZTXAQCNBOP-HZSPNIEDSA-N 2 0 238.375 1.487 20 0 BDADRP C[NH2+][C@H]1CCCN(CCC[NH+]2CCCCC2)C1 ZINC000420296680 192205412 /nfs/dbraw/zinc/20/54/12/192205412.db2.gz QMTCNATWZYPOPV-AWEZNQCLSA-N 2 0 239.407 1.546 20 0 BDADRP CC[NH+](CC)CCCN[C@@](C)(C[NH3+])C(C)C ZINC000420303450 192207498 /nfs/dbraw/zinc/20/74/98/192207498.db2.gz KIWLFKUNBDCXGQ-ZDUSSCGKSA-N 2 0 229.412 1.681 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](CCCc2ccsc2)C1 ZINC000420300849 192206886 /nfs/dbraw/zinc/20/68/86/192206886.db2.gz VHXNZFLHNNDHQI-GFCCVEGCSA-N 2 0 224.373 1.961 20 0 BDADRP C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCCCO1 ZINC000420318532 192196135 /nfs/dbraw/zinc/19/61/35/192196135.db2.gz QCUAZTXAQCNBOP-BFHYXJOUSA-N 2 0 238.375 1.487 20 0 BDADRP CC[NH+](CC)CCN(CC(C)C)C[C@H](C)[NH3+] ZINC000420321182 192196449 /nfs/dbraw/zinc/19/64/49/192196449.db2.gz QVVPYUZTWHPOLJ-ZDUSSCGKSA-N 2 0 229.412 1.633 20 0 BDADRP C[NH+](C)[C@@H]1CCC[N@H+](CC2CCOCC2)CC1 ZINC000336119419 134089694 /nfs/dbraw/zinc/08/96/94/134089694.db2.gz NAQMRNHHZWFPMM-CQSZACIVSA-N 2 0 240.391 1.829 20 0 BDADRP COc1cccc(OCCN(C)[C@H](C)C[NH3+])c1 ZINC000420290980 192201248 /nfs/dbraw/zinc/20/12/48/192201248.db2.gz MUKZIPKWHHYSJQ-LLVKDONJSA-N 2 0 238.331 1.353 20 0 BDADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@H]2CCCOC2)CC1 ZINC000336120974 134091108 /nfs/dbraw/zinc/09/11/08/134091108.db2.gz GRXLJLRHXGXXKA-ZIAGYGMSSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@]1(C[NH3+])CCN(CCC[NH+]2CCCCC2)C1 ZINC000420315836 192213066 /nfs/dbraw/zinc/21/30/66/192213066.db2.gz MVHBJSMOYOOBBN-CQSZACIVSA-N 2 0 239.407 1.533 20 0 BDADRP c1cnn([C@H]2CCC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)c1 ZINC000420315764 192213279 /nfs/dbraw/zinc/21/32/79/192213279.db2.gz LLADMKJTPKRDFY-KBPBESRZSA-N 2 0 248.374 1.520 20 0 BDADRP C[NH2+]CCC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420336118 192214898 /nfs/dbraw/zinc/21/48/98/192214898.db2.gz LHINNPMBDUALCT-ZDUSSCGKSA-N 3 0 225.380 1.060 20 0 BDADRP COCCCC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420338922 192215714 /nfs/dbraw/zinc/21/57/14/192215714.db2.gz YHANMGKEPJOHEE-UONOGXRCSA-N 2 0 240.391 1.735 20 0 BDADRP COCCCC[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420338918 192215742 /nfs/dbraw/zinc/21/57/42/192215742.db2.gz YHANMGKEPJOHEE-KBPBESRZSA-N 2 0 240.391 1.735 20 0 BDADRP C(CN1CCC[C@H]2C[NH2+]C[C@H]21)[C@H]1CCC[NH2+]C1 ZINC000420346055 192215986 /nfs/dbraw/zinc/21/59/86/192215986.db2.gz XIHUHYAFIWRHDQ-HZSPNIEDSA-N 2 0 237.391 1.060 20 0 BDADRP C([C@H]1CCOC1)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420338945 192216634 /nfs/dbraw/zinc/21/66/34/192216634.db2.gz YIXUYSQYHDNWJA-RDBSUJKOSA-N 2 0 238.375 1.344 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc[nH]c(=O)c2)C1 ZINC000639512735 356350001 /nfs/dbraw/zinc/35/00/01/356350001.db2.gz XMQFXBNAYAJRFE-CYBMUJFWSA-N 2 0 249.358 1.561 20 0 BDADRP CCOC(=O)CCCC[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000420306996 192208533 /nfs/dbraw/zinc/20/85/33/192208533.db2.gz LOQWOKNKEHXERE-NEPJUHHUSA-N 2 0 242.363 1.389 20 0 BDADRP CC(C)C[C@H]1COCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420305235 192209339 /nfs/dbraw/zinc/20/93/39/192209339.db2.gz PEPSHRYMUBDABT-KGLIPLIRSA-N 2 0 240.391 1.733 20 0 BDADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)[C@@H](CN)C1CC1 ZINC000420312872 192210202 /nfs/dbraw/zinc/21/02/02/192210202.db2.gz IUWDNXLDHXPAAH-YPMHNXCESA-N 2 0 225.380 1.045 20 0 BDADRP CCOC[C@@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420312813 192210713 /nfs/dbraw/zinc/21/07/13/192210713.db2.gz XITUOUAFCMQOMR-ZIAGYGMSSA-N 2 0 240.391 1.735 20 0 BDADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420312954 192211567 /nfs/dbraw/zinc/21/15/67/192211567.db2.gz JHWFDLRXPSTUHM-KGLIPLIRSA-N 3 0 239.407 1.579 20 0 BDADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCCc3ccncc3)C[C@H]12 ZINC000420315702 192212136 /nfs/dbraw/zinc/21/21/36/192212136.db2.gz XGDXWIFVEGIEGX-SOUVJXGZSA-N 2 0 245.370 1.683 20 0 BDADRP COCC[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420324981 192229958 /nfs/dbraw/zinc/22/99/58/192229958.db2.gz HTICSNMMVPMNRA-IHRRRGAJSA-N 2 0 240.391 1.733 20 0 BDADRP COCC[C@@H]1CCCC[N@H+](CCOCC[NH3+])C1 ZINC000420363719 192223431 /nfs/dbraw/zinc/22/34/31/192223431.db2.gz CCKUFGMSSKCHIX-ZDUSSCGKSA-N 2 0 244.379 1.100 20 0 BDADRP COCC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420383698 192234710 /nfs/dbraw/zinc/23/47/10/192234710.db2.gz DNRSSHIOGOYZMU-RYUDHWBXSA-N 2 0 212.337 1.097 20 0 BDADRP CC(C)OCCC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420391197 192236619 /nfs/dbraw/zinc/23/66/19/192236619.db2.gz YTJBFZYDJCTZPM-AWEZNQCLSA-N 2 0 240.391 1.877 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420394009 192237610 /nfs/dbraw/zinc/23/76/10/192237610.db2.gz CHPMIDZHIBXKEP-KBPBESRZSA-N 2 0 241.423 1.635 20 0 BDADRP C[C@@H]([NH2+]C[C@H](C)[NH3+])[C@@H]1COc2ccccc21 ZINC000420401891 192237932 /nfs/dbraw/zinc/23/79/32/192237932.db2.gz JRIPUHHMPWYXPX-UMNHJUIQSA-N 2 0 220.316 1.488 20 0 BDADRP FCCC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420409949 192239090 /nfs/dbraw/zinc/23/90/90/192239090.db2.gz XRTGPZVEICGTFY-RYUDHWBXSA-N 2 0 214.328 1.810 20 0 BDADRP COCCCC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420406915 192239164 /nfs/dbraw/zinc/23/91/64/192239164.db2.gz UUFPDJFXYOWBBK-KGLIPLIRSA-N 2 0 240.391 1.877 20 0 BDADRP COCCCC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420406916 192239290 /nfs/dbraw/zinc/23/92/90/192239290.db2.gz UUFPDJFXYOWBBK-UONOGXRCSA-N 2 0 240.391 1.877 20 0 BDADRP CC(C)C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](C)[NH3+] ZINC000420411529 192239412 /nfs/dbraw/zinc/23/94/12/192239412.db2.gz RTOPUFWRLFNPGC-TUAOUCFPSA-N 2 0 214.353 1.517 20 0 BDADRP COC[C@@H](NC[C@H](C)[NH3+])c1ccc(F)c(F)c1 ZINC000420406365 192239765 /nfs/dbraw/zinc/23/97/65/192239765.db2.gz NTWVGPTZIFWYCO-QPUJVOFHSA-N 2 0 244.285 1.589 20 0 BDADRP C[C@H]([NH3+])CN[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000420412512 192241204 /nfs/dbraw/zinc/24/12/04/192241204.db2.gz SGYNQWJREWEEJN-FPMFFAJLSA-N 2 0 233.359 1.369 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCOC1 ZINC000420414071 192241237 /nfs/dbraw/zinc/24/12/37/192241237.db2.gz UGXDEWPLUVGMDG-MELADBBJSA-N 2 0 240.391 1.781 20 0 BDADRP CC[C@H](C)[N@H+](CC[C@@H]1CC[NH2+]C1)CC(=O)OC ZINC000420377076 192231455 /nfs/dbraw/zinc/23/14/55/192231455.db2.gz RNYCDYNOYVAPPM-RYUDHWBXSA-N 2 0 242.363 1.260 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000420373388 192231918 /nfs/dbraw/zinc/23/19/18/192231918.db2.gz YYKXLJNJZFUOGJ-ZDUSSCGKSA-N 3 0 239.407 1.354 20 0 BDADRP C[C@H]([NH2+][C@H]1CCOC1)C1CC[NH+](C)CC1 ZINC000087783990 491092213 /nfs/dbraw/zinc/09/22/13/491092213.db2.gz PGXMRHMAFUXDLL-JQWIXIFHSA-N 2 0 212.337 1.095 20 0 BDADRP CC[NH+]1CCC([NH2+]CC(C)(C)CO)CC1 ZINC000088170520 491094985 /nfs/dbraw/zinc/09/49/85/491094985.db2.gz VXODWYKRHVICHH-UHFFFAOYSA-N 2 0 214.353 1.079 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)COCC(F)(F)F ZINC000422949760 192524626 /nfs/dbraw/zinc/52/46/26/192524626.db2.gz WGKPGVIBIPVWDJ-RKDXNWHRSA-N 2 0 242.285 1.671 20 0 BDADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@@H](C)CC1 ZINC000422955126 192525154 /nfs/dbraw/zinc/52/51/54/192525154.db2.gz IRIVEFQYRXZPOH-YHQUGGNUSA-N 2 0 240.391 1.907 20 0 BDADRP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H](C)CCC[NH3+] ZINC000423005054 192534838 /nfs/dbraw/zinc/53/48/38/192534838.db2.gz QJXCOFDJKZIZPI-RYUDHWBXSA-N 2 0 230.396 1.747 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CCCC[C@@H]1O ZINC000423061421 192556267 /nfs/dbraw/zinc/55/62/67/192556267.db2.gz KTBFDPOZLOTSKL-VLEAKVRGSA-N 2 0 200.326 1.005 20 0 BDADRP CCC(O)(CC)CC[NH2+][C@@H](C)CCC[NH3+] ZINC000423071462 192558864 /nfs/dbraw/zinc/55/88/64/192558864.db2.gz OHGBCDDYUANXDA-NSHDSACASA-N 2 0 216.369 1.645 20 0 BDADRP C[C@@H](C[NH+]1CCCCCC1)NC1CC[NH2+]CC1 ZINC000423052490 192553066 /nfs/dbraw/zinc/55/30/66/192553066.db2.gz QBTSJLBCUPYFSX-ZDUSSCGKSA-N 2 0 239.407 1.593 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])C(F)(F)F ZINC000423053179 192553500 /nfs/dbraw/zinc/55/35/00/192553500.db2.gz RGKBWHHBNPCOME-HRDYMLBCSA-N 2 0 224.270 1.902 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000423065321 192555711 /nfs/dbraw/zinc/55/57/11/192555711.db2.gz UBQONFUTLYKTHR-NOOOWODRSA-N 2 0 226.364 1.124 20 0 BDADRP C[C@H](CO)[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000167641177 134153118 /nfs/dbraw/zinc/15/31/18/134153118.db2.gz LLWSBTZKBUWYNG-QJPTWQEYSA-N 2 0 214.353 1.268 20 0 BDADRP C[C@H](CO)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000167635765 134153361 /nfs/dbraw/zinc/15/33/61/134153361.db2.gz UHWHQDPSACDLKS-FXAINCCUSA-N 2 0 206.289 1.102 20 0 BDADRP C[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000216609342 134154401 /nfs/dbraw/zinc/15/44/01/134154401.db2.gz QKERXBLQQZVXJC-MGPQQGTHSA-N 2 0 240.391 1.611 20 0 BDADRP CC[NH+]1CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000355453530 356760457 /nfs/dbraw/zinc/76/04/57/356760457.db2.gz HEEGYTPGHPFZOX-AWEZNQCLSA-N 2 0 239.407 1.498 20 0 BDADRP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)CCC[NH3+] ZINC000423160829 192597796 /nfs/dbraw/zinc/59/77/96/192597796.db2.gz IALATLXEEVACNJ-QJPTWQEYSA-N 2 0 214.353 1.661 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1C[C@@H](OC(C)C)C1 ZINC000423157679 192595097 /nfs/dbraw/zinc/59/50/97/192595097.db2.gz BKSDFXAZWOWVJT-UPJWGTAASA-N 2 0 244.379 1.286 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CCn2cccn2)CC1(C)C ZINC000623371795 356880878 /nfs/dbraw/zinc/88/08/78/356880878.db2.gz SVSYVEHLCXEKGL-LBPRGKRZSA-N 2 0 236.363 1.346 20 0 BDADRP COCC[C@H](C)C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000423167730 192604181 /nfs/dbraw/zinc/60/41/81/192604181.db2.gz FRRSZBOOCVAUCF-SDDRHHMPSA-N 2 0 214.353 1.376 20 0 BDADRP CC[C@H]([NH2+][C@H](C)CCC[NH3+])[C@H](O)C(C)C ZINC000423184118 192613500 /nfs/dbraw/zinc/61/35/00/192613500.db2.gz MXLSFZMKEFWRTM-GRYCIOLGSA-N 2 0 216.369 1.499 20 0 BDADRP C[C@@H](NCC1([NH3+])CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000423187648 192616010 /nfs/dbraw/zinc/61/60/10/192616010.db2.gz YJMSIRZXVIZQRT-NEPJUHHUSA-N 2 0 225.380 1.378 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)[C@H]1CCCC[NH2+]1 ZINC000582295310 357028616 /nfs/dbraw/zinc/02/86/16/357028616.db2.gz WBQVDPGBACOUTH-DGCLKSJQSA-N 3 0 225.380 1.106 20 0 BDADRP CC[C@H](C)C[N@H+](CC)C[C@](C)(O)C[NH2+]C ZINC000582306188 357043619 /nfs/dbraw/zinc/04/36/19/357043619.db2.gz FLXAQLXAMJNZSW-NWDGAFQWSA-N 2 0 216.369 1.325 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)[C@H]1C ZINC000389614525 357002784 /nfs/dbraw/zinc/00/27/84/357002784.db2.gz FYIKYOYKFABFGN-VOAKCMCISA-N 2 0 210.365 1.962 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CCSC2)C[C@@]1(C)C[NH3+] ZINC000389722422 357020542 /nfs/dbraw/zinc/02/05/42/357020542.db2.gz PTTAZTUSFQYMBG-IJLUTSLNSA-N 2 0 228.405 1.656 20 0 BDADRP CC[C@@H]1CN(C[C@H](O)C[N@H+](C)CC)CCS1 ZINC000390587760 357102384 /nfs/dbraw/zinc/10/23/84/357102384.db2.gz RJJOPLMHXPVDEI-VXGBXAGGSA-N 2 0 246.420 1.126 20 0 BDADRP CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000390678168 357111131 /nfs/dbraw/zinc/11/11/31/357111131.db2.gz YMCQCQMFIIHPGQ-QNWHQSFQSA-N 2 0 226.364 1.484 20 0 BDADRP Cc1ncc([C@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)c(C)n1 ZINC000423245086 192648768 /nfs/dbraw/zinc/64/87/68/192648768.db2.gz INHVLQZVPBKJDY-GWCFXTLKSA-N 2 0 248.374 1.744 20 0 BDADRP CC(C)C[C@@H](C[NH3+])N[C@H](C)[C@H]1CCC[NH2+]1 ZINC000423258609 192655807 /nfs/dbraw/zinc/65/58/07/192655807.db2.gz CCOILPDVXYPRCN-GRYCIOLGSA-N 2 0 213.369 1.090 20 0 BDADRP C[NH+](C)C1CCC([NH2+]C[C@H]2CCC[NH2+]C2)CC1 ZINC000582420334 357143831 /nfs/dbraw/zinc/14/38/31/357143831.db2.gz NEYGPTQBGONHEB-HSBZDZAISA-N 3 0 239.407 1.448 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCCOCC2)cc1 ZINC000582420909 357144294 /nfs/dbraw/zinc/14/42/94/357144294.db2.gz OEUYTXYOPBYKDE-CQSZACIVSA-N 2 0 234.343 1.804 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)C1CCOCC1 ZINC000423261880 192657696 /nfs/dbraw/zinc/65/76/96/192657696.db2.gz TTXZPRGONUEAHS-QWHCGFSZSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@H](NC[C@@H]([NH3+])c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000423244547 192649413 /nfs/dbraw/zinc/64/94/13/192649413.db2.gz HRSQNVZJZVXTPU-CFVMTHIKSA-N 2 0 247.386 1.807 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1cnn(C)c1 ZINC000423257150 192654329 /nfs/dbraw/zinc/65/43/29/192654329.db2.gz HTTJJGNGZNGZBS-RYUDHWBXSA-N 2 0 236.363 1.460 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H]2CCCC[C@H]2O)C1 ZINC000393337401 357281395 /nfs/dbraw/zinc/28/13/95/357281395.db2.gz UIRILFSMGCTAND-MELADBBJSA-N 2 0 240.391 1.469 20 0 BDADRP CCc1cc(C[NH2+][C@@H](C)CCCC[NH3+])on1 ZINC000582719730 357370816 /nfs/dbraw/zinc/37/08/16/357370816.db2.gz FTPZPJIAIWBLJV-JTQLQIEISA-N 2 0 225.336 1.844 20 0 BDADRP CCCC[C@@H](C[NH3+])N[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423297763 192686723 /nfs/dbraw/zinc/68/67/23/192686723.db2.gz LTQRGNRWVHPCQS-WOPDTQHZSA-N 2 0 213.369 1.234 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@@H]1C[N@H+](C)C[C@H]1C ZINC000423298222 192687136 /nfs/dbraw/zinc/68/71/36/192687136.db2.gz NRVCNWSCHPCZNY-IJLUTSLNSA-N 2 0 213.369 1.044 20 0 BDADRP CC1(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000583179639 357503375 /nfs/dbraw/zinc/50/33/75/357503375.db2.gz KJHFOHXATLJLAA-CYBMUJFWSA-N 2 0 240.391 1.613 20 0 BDADRP CC[NH+](CC)CCN(CC[NH3+])CC(C)C ZINC000231360960 357613748 /nfs/dbraw/zinc/61/37/48/357613748.db2.gz DTASEUJUPMDJEA-UHFFFAOYSA-N 2 0 215.385 1.245 20 0 BDADRP CCC[C@@H](CCO)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000631667456 357697986 /nfs/dbraw/zinc/69/79/86/357697986.db2.gz PLDAADQHEKPFJN-OCCSQVGLSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)[C@@H]1CCC[NH2+]C1 ZINC000583263196 357738647 /nfs/dbraw/zinc/73/86/47/357738647.db2.gz OGMCMQMMJZGUKN-IUODEOHRSA-N 3 0 247.386 1.623 20 0 BDADRP C[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000192766645 357850868 /nfs/dbraw/zinc/85/08/68/357850868.db2.gz BHGUNCJDHYMXCJ-OUCADQQQSA-N 2 0 238.375 1.316 20 0 BDADRP CCn1cncc1CNCC[N@H+](C)C(C)C ZINC000085183945 134225151 /nfs/dbraw/zinc/22/51/51/134225151.db2.gz KUEDTAHVGXBKDD-UHFFFAOYSA-N 2 0 224.352 1.333 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCCC1(C)C ZINC000234753728 357827147 /nfs/dbraw/zinc/82/71/47/357827147.db2.gz QJAHIPPJKHTVBW-NEPJUHHUSA-N 2 0 228.380 1.909 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCCCS1 ZINC000234791870 357828836 /nfs/dbraw/zinc/82/88/36/357828836.db2.gz SIXBLHBZIWBPGY-NWDGAFQWSA-N 2 0 246.420 1.616 20 0 BDADRP CC(C)[N@H+](CCC[NH3+])Cc1ccccn1 ZINC000036731985 358046477 /nfs/dbraw/zinc/04/64/77/358046477.db2.gz NKZDWMPMXAZLPE-UHFFFAOYSA-N 2 0 207.321 1.641 20 0 BDADRP CC(C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000037482872 358072900 /nfs/dbraw/zinc/07/29/00/358072900.db2.gz LVFRWJBOFOMDEF-UHFFFAOYSA-N 2 0 213.369 1.012 20 0 BDADRP C[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000037017263 358064445 /nfs/dbraw/zinc/06/44/45/358064445.db2.gz UYOMQUWQWMQLEH-LLVKDONJSA-N 2 0 247.342 1.568 20 0 BDADRP CCC1([NH+](C)C)CC[NH+](CCC[C@@H](C)O)CC1 ZINC000640016078 358068597 /nfs/dbraw/zinc/06/85/97/358068597.db2.gz SDBNFXZZZZVHPS-CYBMUJFWSA-N 2 0 242.407 1.954 20 0 BDADRP CC[NH+](CC)CCCNC(=O)CC[NH2+]C(C)C ZINC000037618217 358084212 /nfs/dbraw/zinc/08/42/12/358084212.db2.gz RXBZZWHOFDZIHU-UHFFFAOYSA-N 2 0 243.395 1.223 20 0 BDADRP CCCN1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000038124786 358117241 /nfs/dbraw/zinc/11/72/41/358117241.db2.gz QBBDWXRCRLCXNE-UHFFFAOYSA-N 2 0 226.364 1.223 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](CO)C2)[C@H](C)C1 ZINC000631669176 358183299 /nfs/dbraw/zinc/18/32/99/358183299.db2.gz HIPINKUMHUPDSN-FVCCEPFGSA-N 2 0 226.364 1.077 20 0 BDADRP C[N@@H+]1CCC[C@H](CN[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000222989872 358217198 /nfs/dbraw/zinc/21/71/98/358217198.db2.gz CESWUKKBVMLPFO-JHJVBQTASA-N 2 0 225.380 1.188 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000226343871 358337668 /nfs/dbraw/zinc/33/76/68/358337668.db2.gz FSUPZLPYGARFEX-OLZOCXBDSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCCN([C@@H](C)c2cnccn2)C1 ZINC000226969396 358346615 /nfs/dbraw/zinc/34/66/15/358346615.db2.gz QEDBWNVHVXBPST-SRVKXCTJSA-N 2 0 234.347 1.597 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)[C@@H]1CCCO1 ZINC000227071103 358348302 /nfs/dbraw/zinc/34/83/02/358348302.db2.gz QYZRBZHJMVXFMN-XQQFMLRXSA-N 2 0 226.364 1.485 20 0 BDADRP COC[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173601044 134276121 /nfs/dbraw/zinc/27/61/21/134276121.db2.gz OCPOSKNVEZFTKM-UONOGXRCSA-N 2 0 240.391 1.829 20 0 BDADRP COCc1cccc(C[N@H+](C)CCC[NH3+])c1 ZINC000227744652 358363224 /nfs/dbraw/zinc/36/32/24/358363224.db2.gz LRXRTZXVQWSMBJ-UHFFFAOYSA-N 2 0 222.332 1.614 20 0 BDADRP C[NH2+]C1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000044510306 358388636 /nfs/dbraw/zinc/38/86/36/358388636.db2.gz RQWNHYFHXKSDOL-LBPRGKRZSA-N 2 0 212.337 1.239 20 0 BDADRP CC[C@H](O)C[NH2+]CC1CC[NH+](CC)CC1 ZINC000044518466 358390108 /nfs/dbraw/zinc/39/01/08/358390108.db2.gz BXXYKQHKRUEBIF-LBPRGKRZSA-N 2 0 214.353 1.079 20 0 BDADRP C[C@@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C[C@H](C)O ZINC000623427855 358438383 /nfs/dbraw/zinc/43/83/83/358438383.db2.gz PFJPPHJUBNDYFK-AGIUHOORSA-N 2 0 242.407 1.856 20 0 BDADRP CCC[NH+]1CCC([NH2+]CC2(O)CCC2)CC1 ZINC000130784025 358643560 /nfs/dbraw/zinc/64/35/60/358643560.db2.gz CYLIYAJUDSPXJT-UHFFFAOYSA-N 2 0 226.364 1.365 20 0 BDADRP C[C@@H](Cn1cccn1)[NH2+]CCC[NH+]1CCCC1 ZINC000049332675 358683220 /nfs/dbraw/zinc/68/32/20/358683220.db2.gz WBMTWFPSYDHRJC-ZDUSSCGKSA-N 2 0 236.363 1.347 20 0 BDADRP C[N@H+](CCC[NH3+])CCOc1cccc(Cl)c1 ZINC000133222899 358748851 /nfs/dbraw/zinc/74/88/51/358748851.db2.gz DLLVDOYYEXZRCR-UHFFFAOYSA-N 2 0 242.750 1.999 20 0 BDADRP C[C@H](CCCO)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132183793 358709709 /nfs/dbraw/zinc/70/97/09/358709709.db2.gz JAYGPSSXPGPFIK-SWHYSGLUSA-N 2 0 234.343 1.882 20 0 BDADRP CC1(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)COC1 ZINC000132179241 358709759 /nfs/dbraw/zinc/70/97/59/358709759.db2.gz WPLGYONWEFQHOZ-STQMWFEESA-N 2 0 232.327 1.757 20 0 BDADRP CO[C@@H](C)[C@@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000132248155 358714058 /nfs/dbraw/zinc/71/40/58/358714058.db2.gz NXRFOZHTJZBVFP-OLZOCXBDSA-N 2 0 228.380 1.875 20 0 BDADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CC2)[C@H](C)C1 ZINC000132687427 358732966 /nfs/dbraw/zinc/73/29/66/358732966.db2.gz KZACCRYISZBHSO-TZMCWYRMSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H](C[NH3+])CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423305133 192694741 /nfs/dbraw/zinc/69/47/41/192694741.db2.gz KEMALWVBYVUBBR-DYEKYZERSA-N 2 0 235.375 1.129 20 0 BDADRP COc1ccc(C[NH2+][C@H](C)CC[NH3+])c(OC)c1 ZINC000136138305 358865070 /nfs/dbraw/zinc/86/50/70/358865070.db2.gz MVCADFPONYYGOE-SNVBAGLBSA-N 2 0 238.331 1.531 20 0 BDADRP COCCCC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000578323818 366513234 /nfs/dbraw/zinc/51/32/34/366513234.db2.gz XUOCDGMRCDMDIK-CYBMUJFWSA-N 2 0 226.364 1.489 20 0 BDADRP CCCCOCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000086403469 358967829 /nfs/dbraw/zinc/96/78/29/358967829.db2.gz CZZPYHAMGQHVQE-NEPJUHHUSA-N 2 0 214.353 1.663 20 0 BDADRP COCC[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000086404496 358968070 /nfs/dbraw/zinc/96/80/70/358968070.db2.gz FMQYTJARATZKAY-GARJFASQSA-N 2 0 200.326 1.271 20 0 BDADRP C[NH2+]CCC1CC[NH+](CCCC(=O)OC)CC1 ZINC000070189911 359044791 /nfs/dbraw/zinc/04/47/91/359044791.db2.gz DOCIARLBHCAHQH-UHFFFAOYSA-N 2 0 242.363 1.261 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1nccn1C ZINC000070445353 359055780 /nfs/dbraw/zinc/05/57/80/359055780.db2.gz MGSVVHKLFMHTKW-LLVKDONJSA-N 2 0 236.363 1.413 20 0 BDADRP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)[C@H]1CCCOC1 ZINC000423349277 192724707 /nfs/dbraw/zinc/72/47/07/192724707.db2.gz VICIJDDWJJEKIW-IHRRRGAJSA-N 2 0 240.391 1.781 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2CCOC2)C1 ZINC000247186354 359200742 /nfs/dbraw/zinc/20/07/42/359200742.db2.gz VMTVFTDPBUCSTM-MGPQQGTHSA-N 2 0 240.391 1.733 20 0 BDADRP C1C[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H]([C@H]2CCCC[NH2+]2)C1 ZINC000423422491 192750580 /nfs/dbraw/zinc/75/05/80/192750580.db2.gz CUSWBSBOJLUUNM-BBZRCZKMSA-N 2 0 249.402 1.105 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)CCC[NH3+] ZINC000423466695 192781660 /nfs/dbraw/zinc/78/16/60/192781660.db2.gz XIZNPKKVQBTZKW-AVGNSLFASA-N 2 0 228.380 1.909 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1ccnn1C ZINC000423476770 192787281 /nfs/dbraw/zinc/78/72/81/192787281.db2.gz RJFAJQSZADVUOB-SRVKXCTJSA-N 2 0 236.363 1.588 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccn(C)n1 ZINC000423498120 192794748 /nfs/dbraw/zinc/79/47/48/192794748.db2.gz GMEOBVPDCMTGFU-TUAOUCFPSA-N 2 0 236.363 1.588 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423539759 192807766 /nfs/dbraw/zinc/80/77/66/192807766.db2.gz ISMNQDGOTYWHBI-ZOLYEBIHSA-N 2 0 226.364 1.388 20 0 BDADRP Cc1ncc(C[NH2+]CC[C@@H](O)C(C)C)n1C ZINC000580451843 359559539 /nfs/dbraw/zinc/55/95/39/359559539.db2.gz LVQCAJKFAZMVEW-GFCCVEGCSA-N 2 0 225.336 1.225 20 0 BDADRP [NH3+][C@@H]1C[C@H](NCCC[NH2+]C2CC2)c2ccccc21 ZINC000423572522 192814352 /nfs/dbraw/zinc/81/43/52/192814352.db2.gz YHIMFPGWNZXUTJ-CABCVRRESA-N 2 0 245.370 1.863 20 0 BDADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCCO)C1 ZINC000081636114 359609354 /nfs/dbraw/zinc/60/93/54/359609354.db2.gz ZBEXXIRFEITADC-ZDUSSCGKSA-N 2 0 226.364 1.033 20 0 BDADRP COC[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C1CC1 ZINC000623470274 359770411 /nfs/dbraw/zinc/77/04/11/359770411.db2.gz HBARHLMYAWJOSD-OLZOCXBDSA-N 2 0 240.391 1.874 20 0 BDADRP Cc1nccn1CCC[N@@H+]1CC[C@H](F)C1 ZINC000451203480 202380039 /nfs/dbraw/zinc/38/00/39/202380039.db2.gz ZDQDQWXAYDNPFX-NSHDSACASA-N 2 0 211.284 1.625 20 0 BDADRP Cc1nn(C)cc1[C@@H](C)[NH2+]CCCC[NH+](C)C ZINC000087409641 359911268 /nfs/dbraw/zinc/91/12/68/359911268.db2.gz IVFXKKOHNWPPGQ-LLVKDONJSA-N 2 0 238.379 1.721 20 0 BDADRP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000578549642 366594401 /nfs/dbraw/zinc/59/44/01/366594401.db2.gz UNPJMOQACMBHGW-XQHKEYJVSA-N 2 0 226.364 1.804 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cccnc1 ZINC000087646144 359922204 /nfs/dbraw/zinc/92/22/04/359922204.db2.gz KCNXCVLFVBDOSV-VXGBXAGGSA-N 2 0 219.332 1.732 20 0 BDADRP CCCOc1ccc(CN[C@H](C)C[NH3+])cc1 ZINC000578619045 366608480 /nfs/dbraw/zinc/60/84/80/366608480.db2.gz KUGAGUMIKVXQMA-LLVKDONJSA-N 2 0 222.332 1.912 20 0 BDADRP [NH3+]Cc1ccc(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000578625815 366611050 /nfs/dbraw/zinc/61/10/50/366611050.db2.gz NVYTZZWCEOULCV-YPMHNXCESA-N 2 0 247.342 1.003 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)C1([NH3+])CC1 ZINC000088129668 359936952 /nfs/dbraw/zinc/93/69/52/359936952.db2.gz CDKRFEZMNQOZOL-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cn1 ZINC000089146294 359992911 /nfs/dbraw/zinc/99/29/11/359992911.db2.gz TXIJEWCBEJHXEV-ZIAGYGMSSA-N 2 0 233.359 1.997 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCCOCC1CC1 ZINC000089140583 359992923 /nfs/dbraw/zinc/99/29/23/359992923.db2.gz UWTHAWMYKCWFCI-KBPBESRZSA-N 2 0 240.391 1.910 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+][C@H](CO)CC2CC2)CC1(C)C ZINC000623472214 360048702 /nfs/dbraw/zinc/04/87/02/360048702.db2.gz ILIUDPLBKDPTTP-OLZOCXBDSA-N 2 0 240.391 1.610 20 0 BDADRP CC(C)[NH+]1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000089424649 360019374 /nfs/dbraw/zinc/01/93/74/360019374.db2.gz WIUIKPHUUCAQNV-CQSZACIVSA-N 2 0 239.407 1.497 20 0 BDADRP C1C[C@@H]2C[C@H]([NH2+]C3CCOCC3)CC[N@@H+]2C1 ZINC000090714578 360084885 /nfs/dbraw/zinc/08/48/85/360084885.db2.gz BVZBHRHPPHGKLX-CHWSQXEVSA-N 2 0 224.348 1.382 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](CC2=CCCOC2)C1 ZINC000093770601 360274163 /nfs/dbraw/zinc/27/41/63/360274163.db2.gz HTVXYTHSXVPXMV-ZDUSSCGKSA-N 2 0 238.375 1.607 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000094948728 360328635 /nfs/dbraw/zinc/32/86/35/360328635.db2.gz KRIBUFXQKPPORH-IGQOVBAYSA-N 2 0 242.407 1.713 20 0 BDADRP CC(C)(C)[NH2+]CCN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000414664926 200756936 /nfs/dbraw/zinc/75/69/36/200756936.db2.gz DBACGNLZBITYMC-QJPTWQEYSA-N 2 0 225.380 1.044 20 0 BDADRP C[C@@H]1CCCC[C@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629388741 361035161 /nfs/dbraw/zinc/03/51/61/361035161.db2.gz WMZBNGQWFOQCQS-VXGBXAGGSA-N 2 0 226.364 1.663 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000629388725 361035507 /nfs/dbraw/zinc/03/55/07/361035507.db2.gz PFRRPFYLMRLMFJ-CABNGKKXSA-N 2 0 237.391 1.199 20 0 BDADRP CCC[C@@H](CC)[NH2+]CC1([NH3+])CCOCC1 ZINC000629389085 361035596 /nfs/dbraw/zinc/03/55/96/361035596.db2.gz TYUPUNZABVYDMO-LLVKDONJSA-N 2 0 214.353 1.663 20 0 BDADRP CC(C)[C@H]1CCC[C@@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629389922 361036242 /nfs/dbraw/zinc/03/62/42/361036242.db2.gz XHGHCASDRDIMOE-OLZOCXBDSA-N 2 0 240.391 1.909 20 0 BDADRP CCCC[C@H](C)[NH2+]CCOCC[NH2+]C ZINC000629392281 361040958 /nfs/dbraw/zinc/04/09/58/361040958.db2.gz KOZMHVRZTQAHLD-NSHDSACASA-N 2 0 202.342 1.391 20 0 BDADRP Cc1cccc(C[NH2+]CCOCCC[NH3+])c1 ZINC000629397584 361047864 /nfs/dbraw/zinc/04/78/64/361047864.db2.gz ACGCOJNYCFBUKF-UHFFFAOYSA-N 2 0 222.332 1.450 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CCOCCC[NH3+])C1 ZINC000629398163 361048628 /nfs/dbraw/zinc/04/86/28/361048628.db2.gz NUFNVZODTHUBGR-GHMZBOCLSA-N 2 0 200.326 1.130 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CCOCCC[NH3+])C[C@H]1C ZINC000629398828 361050120 /nfs/dbraw/zinc/05/01/20/361050120.db2.gz ICXPBMGPFQIBES-UPJWGTAASA-N 2 0 228.380 1.766 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000629401527 361052104 /nfs/dbraw/zinc/05/21/04/361052104.db2.gz CFXOJYKUBGEAGZ-RWMBFGLXSA-N 2 0 228.380 1.637 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H]1CCC(C)(C)C1 ZINC000629402739 361052282 /nfs/dbraw/zinc/05/22/82/361052282.db2.gz DSVVBOPKGKXHTH-NSHDSACASA-N 2 0 214.353 1.391 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1NC1CC[NH+](C(C)(C)C)CC1 ZINC000629405677 361054121 /nfs/dbraw/zinc/05/41/21/361054121.db2.gz DNGQJAOMEZAAIM-WCQYABFASA-N 2 0 239.407 1.589 20 0 BDADRP C[NH2+]CCC1CC[NH+](Cc2cccnc2N)CC1 ZINC000629521090 361118056 /nfs/dbraw/zinc/11/80/56/361118056.db2.gz OPXOHHCYKFLASC-UHFFFAOYSA-N 2 0 248.374 1.485 20 0 BDADRP [NH3+]C1(C[NH2+][C@@H]2CCC23CCC3)CCOCC1 ZINC000629518873 361118652 /nfs/dbraw/zinc/11/86/52/361118652.db2.gz CEFNFIYBJSEQRW-LLVKDONJSA-N 2 0 224.348 1.417 20 0 BDADRP [NH3+]C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)C1CCCC1 ZINC000579024116 366686212 /nfs/dbraw/zinc/68/62/12/366686212.db2.gz BAPBFRBKUFSKDO-XQQFMLRXSA-N 2 0 225.380 1.363 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000629528138 361132249 /nfs/dbraw/zinc/13/22/49/361132249.db2.gz QFEJMSNECBCIMJ-MROQNXINSA-N 2 0 225.380 1.234 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000629528082 361135079 /nfs/dbraw/zinc/13/50/79/361135079.db2.gz OQUGYRVHOWRNJT-XQLPTFJDSA-N 2 0 245.370 1.861 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1csc(C)c1 ZINC000629530510 361144342 /nfs/dbraw/zinc/14/43/42/361144342.db2.gz IPNAQCALFYMHCA-NSHDSACASA-N 2 0 242.388 1.943 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H]1CCC[C@H]1CCOC ZINC000629530334 361144424 /nfs/dbraw/zinc/14/44/24/361144424.db2.gz CUHDDTULMSXXKS-STQMWFEESA-N 2 0 244.379 1.017 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H]1CCCC12CCCC2 ZINC000629530301 361144469 /nfs/dbraw/zinc/14/44/69/361144469.db2.gz CBXQIORDARTRTH-ZDUSSCGKSA-N 2 0 240.391 1.925 20 0 BDADRP CCO[C@@H](C[N@@H+]1CCC[C@H](CC[NH3+])C1)C1CC1 ZINC000629530160 361147790 /nfs/dbraw/zinc/14/77/90/361147790.db2.gz XAFWZDMNHVNSOT-OCCSQVGLSA-N 2 0 240.391 1.862 20 0 BDADRP CCO[C@H](C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)C1CC1 ZINC000629532308 361152069 /nfs/dbraw/zinc/15/20/69/361152069.db2.gz UVKKJMIJNWKQRS-MELADBBJSA-N 2 0 238.375 1.485 20 0 BDADRP CC[C@H]1CCC[C@@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629524778 361125469 /nfs/dbraw/zinc/12/54/69/361125469.db2.gz PGRJWZGDGOBNKA-RYUDHWBXSA-N 2 0 226.364 1.663 20 0 BDADRP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccccc1 ZINC000629524663 361125917 /nfs/dbraw/zinc/12/59/17/361125917.db2.gz SOSBLWNKEBFDGL-LBPRGKRZSA-N 2 0 234.343 1.845 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000629526148 361126622 /nfs/dbraw/zinc/12/66/22/361126622.db2.gz LQBOZUYVGBGXHT-XJFOESAGSA-N 2 0 239.407 1.447 20 0 BDADRP C[C@H]1SCC[N@H+](CC2CC[NH2+]CC2)[C@H]1C ZINC000158589929 361205384 /nfs/dbraw/zinc/20/53/84/361205384.db2.gz KLYSPFIISZCWLJ-WDEREUQCSA-N 2 0 228.405 1.812 20 0 BDADRP COCCCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000158522885 361202026 /nfs/dbraw/zinc/20/20/26/361202026.db2.gz FYFNDIISHNPASG-VXGBXAGGSA-N 2 0 214.353 1.472 20 0 BDADRP COCCCC[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000158708211 361210260 /nfs/dbraw/zinc/21/02/60/361210260.db2.gz YMLZEYJKBHTYDD-WDEREUQCSA-N 2 0 200.326 1.082 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](CCOCC(C)C)C1 ZINC000158916668 361215453 /nfs/dbraw/zinc/21/54/53/361215453.db2.gz LZYINYSQXHKLHP-GFCCVEGCSA-N 2 0 214.353 1.200 20 0 BDADRP C[C@@H](CCCCO)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000309810840 491156374 /nfs/dbraw/zinc/15/63/74/491156374.db2.gz YXSHRFSJYPRXRN-QWHCGFSZSA-N 2 0 228.380 1.469 20 0 BDADRP CC(C)[NH2+]CCCN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000579225129 366736515 /nfs/dbraw/zinc/73/65/15/366736515.db2.gz FYPQRTIGVRTUIQ-QWHCGFSZSA-N 2 0 227.396 1.447 20 0 BDADRP CC(C)[NH2+]CCCN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000579225128 366737022 /nfs/dbraw/zinc/73/70/22/366737022.db2.gz FYPQRTIGVRTUIQ-OLZOCXBDSA-N 2 0 227.396 1.447 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CC[C@@H]1CC1(F)F ZINC000622043476 370674376 /nfs/dbraw/zinc/67/43/76/370674376.db2.gz BQDKRTNDURQSKB-NXEZZACHSA-N 2 0 236.306 1.375 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CC1(F)F ZINC000622044244 370675200 /nfs/dbraw/zinc/67/52/00/370675200.db2.gz ZSZNCRIUGXLPEY-IWSPIJDZSA-N 2 0 204.264 1.501 20 0 BDADRP CC(C)C[C@H]([NH3+])C(=O)NCC1([NH3+])CCCCC1 ZINC000428475530 201023091 /nfs/dbraw/zinc/02/30/91/201023091.db2.gz AHNCDGQYGFTVMY-NSHDSACASA-N 2 0 241.379 1.138 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000622044784 370676818 /nfs/dbraw/zinc/67/68/18/370676818.db2.gz SKIAMXYDJHZFHJ-ONGXEEELSA-N 2 0 222.336 1.124 20 0 BDADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC1([NH3+])CCCCC1 ZINC000428488175 201025328 /nfs/dbraw/zinc/02/53/28/201025328.db2.gz YZRCUVPLCXPJRV-WDEREUQCSA-N 2 0 241.379 1.138 20 0 BDADRP C[C@H](CC1CCOCC1)[NH2+]CC[C@H](C)[NH3+] ZINC000622045465 370680282 /nfs/dbraw/zinc/68/02/82/370680282.db2.gz WOTPKBBXWUIJOS-WDEREUQCSA-N 2 0 214.353 1.519 20 0 BDADRP [NH3+]CCC[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000162525442 361354110 /nfs/dbraw/zinc/35/41/10/361354110.db2.gz ZSPIDHUIFDBBNS-GFCCVEGCSA-N 2 0 208.280 1.751 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCCC(C)(C)CO)CC[N@@H+]1C ZINC000163169855 361388268 /nfs/dbraw/zinc/38/82/68/361388268.db2.gz GKKKQOSVWMMGMN-CHWSQXEVSA-N 2 0 242.407 1.857 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000429387057 201105818 /nfs/dbraw/zinc/10/58/18/201105818.db2.gz YJPTWDSFHYTXFI-AAEUAGOBSA-N 2 0 241.379 1.010 20 0 BDADRP [NH3+]CCCOCCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000629539408 361405018 /nfs/dbraw/zinc/40/50/18/361405018.db2.gz QYJRRTWHMXUBNL-KBPBESRZSA-N 2 0 249.358 1.086 20 0 BDADRP COC[C@@]1(C[NH2+]C(C2CC2)C2CC2)CCC[NH2+]1 ZINC000579342323 366761912 /nfs/dbraw/zinc/76/19/12/366761912.db2.gz FVOUAAVHPJNDPF-AWEZNQCLSA-N 2 0 238.375 1.533 20 0 BDADRP C[C@H]([NH2+]CCOCCC[NH3+])c1ccco1 ZINC000629536069 361398756 /nfs/dbraw/zinc/39/87/56/361398756.db2.gz DQFAPXRTVOMUOO-JTQLQIEISA-N 2 0 212.293 1.296 20 0 BDADRP C[C@H]1CCC[C@H](C)C1[NH2+]CCOCCC[NH3+] ZINC000629536475 361398965 /nfs/dbraw/zinc/39/89/65/361398965.db2.gz GQLYWPHPKSVVEJ-RYUDHWBXSA-N 2 0 228.380 1.766 20 0 BDADRP Cc1ccncc1[C@H](C)[NH2+]CCOCCC[NH3+] ZINC000629536308 361398999 /nfs/dbraw/zinc/39/89/99/361398999.db2.gz GFEKKMGSHHSLNK-LBPRGKRZSA-N 2 0 237.347 1.406 20 0 BDADRP CC[C@H]([NH2+]CCOCCC[NH3+])C1CC1 ZINC000629535257 361410295 /nfs/dbraw/zinc/41/02/95/361410295.db2.gz DEMGSGSSBNLJCL-NSHDSACASA-N 2 0 200.326 1.130 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000429570595 201119644 /nfs/dbraw/zinc/11/96/44/201119644.db2.gz BHLORHTWHUYLKR-ZMLRMANQSA-N 2 0 247.342 1.772 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc[nH]c1=O ZINC000629544153 361412708 /nfs/dbraw/zinc/41/27/08/361412708.db2.gz HLHDULKZOKZTMP-RKDXNWHRSA-N 2 0 209.293 1.003 20 0 BDADRP [NH3+]CCCOCC[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000629539999 361413292 /nfs/dbraw/zinc/41/32/92/361413292.db2.gz RPYVFBPDQUSNGE-OLZOCXBDSA-N 2 0 226.364 1.520 20 0 BDADRP CCC[N@H+](C)CC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000429629964 201124504 /nfs/dbraw/zinc/12/45/04/201124504.db2.gz WQJZZORTBMQVJI-LBPRGKRZSA-N 2 0 243.395 1.160 20 0 BDADRP CC[C@H]([NH2+]CCOCCC[NH3+])c1ccncc1 ZINC000629535620 361410091 /nfs/dbraw/zinc/41/00/91/361410091.db2.gz CYVLCDJIWLSLII-ZDUSSCGKSA-N 2 0 237.347 1.488 20 0 BDADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)N[C@@H]1CC[NH2+][C@H]1C ZINC000629544827 361424442 /nfs/dbraw/zinc/42/44/42/361424442.db2.gz JTFMVLJHAZZXMN-AYRXBEOTSA-N 2 0 247.386 1.285 20 0 BDADRP CC[C@@H](C)C[NH+]1CCC([NH2+]CCOC)CC1 ZINC000579480368 366825483 /nfs/dbraw/zinc/82/54/83/366825483.db2.gz RPYNUGPTHLSCKV-GFCCVEGCSA-N 2 0 228.380 1.733 20 0 BDADRP Cc1cnc(CN2CC[C@]3(CC[N@H+](C)C3)C2)n1C ZINC000430173101 201149791 /nfs/dbraw/zinc/14/97/91/201149791.db2.gz YHEONOIOKFRCQA-AWEZNQCLSA-N 2 0 248.374 1.256 20 0 BDADRP CCO[C@H](C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1)C1CC1 ZINC000629545853 361427022 /nfs/dbraw/zinc/42/70/22/361427022.db2.gz AEDKFTGXJNPMPD-MGPQQGTHSA-N 2 0 238.375 1.615 20 0 BDADRP COCC[C@H]1CCC[C@H]1[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629547121 361430910 /nfs/dbraw/zinc/43/09/10/361430910.db2.gz RPPKCBOJNDQKED-UMSGYPCISA-N 2 0 226.364 1.532 20 0 BDADRP C[N@@H+]1CCC[C@H]1CN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000629548114 361433437 /nfs/dbraw/zinc/43/34/37/361433437.db2.gz CXBHBOLGZQBFBY-YNEHKIRRSA-N 2 0 225.380 1.330 20 0 BDADRP C1C[C@@H]([NH2+][C@H]2CCCC[C@@H]2[C@H]2CCOC2)C[NH2+]1 ZINC000629553036 361438001 /nfs/dbraw/zinc/43/80/01/361438001.db2.gz HKCRTAXGVWBOMN-DGAVXFQQSA-N 2 0 238.375 1.533 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC000629553629 361439016 /nfs/dbraw/zinc/43/90/16/361439016.db2.gz BULVSWBRPDLIMS-YFKTTZPYSA-N 2 0 212.337 1.128 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]CCOCCC[NH3+])C1(C)C ZINC000629542514 361419305 /nfs/dbraw/zinc/41/93/05/361419305.db2.gz ZQBHZVNURAJEFY-VXGBXAGGSA-N 2 0 244.379 1.145 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)Cc1cnc(C)s1 ZINC000629571595 361463205 /nfs/dbraw/zinc/46/32/05/361463205.db2.gz XXXRBXCMADRMTE-UHFFFAOYSA-N 2 0 243.376 1.119 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](CCOCC2CC2)CC1 ZINC000430947388 201158843 /nfs/dbraw/zinc/15/88/43/201158843.db2.gz DOMCGMSTVNRRSJ-NSHDSACASA-N 2 0 226.364 1.472 20 0 BDADRP C[C@H](c1cccnc1)[N@H+](C)CCOCC[NH3+] ZINC000629578563 361464987 /nfs/dbraw/zinc/46/49/87/361464987.db2.gz RIQLWTOJFGYUAH-LLVKDONJSA-N 2 0 223.320 1.050 20 0 BDADRP C(C[NH2+]C[C@@H]1CCSC1)C[NH2+]C1CC1 ZINC000163434583 361480206 /nfs/dbraw/zinc/48/02/06/361480206.db2.gz CUTPIMSXMIHUDB-JTQLQIEISA-N 2 0 214.378 1.471 20 0 BDADRP C/C=C\C[C@@H]1CCC[N@@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000629594411 361486217 /nfs/dbraw/zinc/48/62/17/361486217.db2.gz CDBFRZAUHCUEPM-UUSXEQNQSA-N 2 0 240.391 1.635 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)Cc1ccccc1F ZINC000629562708 361455935 /nfs/dbraw/zinc/45/59/35/361455935.db2.gz FLJFVGITDWTBRG-UHFFFAOYSA-N 2 0 240.322 1.494 20 0 BDADRP CC[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629561336 361456360 /nfs/dbraw/zinc/45/63/60/361456360.db2.gz ILSWGWYMEDFHDR-JGVFFNPUSA-N 2 0 210.243 1.465 20 0 BDADRP CC[C@H](C(=O)Nc1cccc(C[NH2+]C)c1)[NH+](C)C ZINC000629610780 361499926 /nfs/dbraw/zinc/49/99/26/361499926.db2.gz IGTKQDFGSHQMEL-CYBMUJFWSA-N 2 0 249.358 1.685 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000629655566 361560014 /nfs/dbraw/zinc/56/00/14/361560014.db2.gz ZTMOBAVEBBUPDG-MROQNXINSA-N 3 0 225.380 1.105 20 0 BDADRP Cn1ccc(C[NH2+][C@@H](CN)C2CCCC2)c1 ZINC000629648203 361540588 /nfs/dbraw/zinc/54/05/88/361540588.db2.gz HOHQIIWOBGHAMX-ZDUSSCGKSA-N 2 0 221.348 1.632 20 0 BDADRP Cc1cnccc1CN[C@H](C[NH3+])CC(C)C ZINC000629648338 361540749 /nfs/dbraw/zinc/54/07/49/361540749.db2.gz STTJXWZZULCKNU-ZDUSSCGKSA-N 2 0 221.348 1.853 20 0 BDADRP C[C@H]1CC[N@H+](Cc2ccn(C)c2)C[C@H]1C[NH3+] ZINC000629648483 361540866 /nfs/dbraw/zinc/54/08/66/361540866.db2.gz PCWWUCKCESPWID-WCQYABFASA-N 2 0 221.348 1.442 20 0 BDADRP Cn1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000629649223 361543709 /nfs/dbraw/zinc/54/37/09/361543709.db2.gz MMJAMDWEJKLXQR-CABCVRRESA-N 2 0 247.386 1.989 20 0 BDADRP Cc1cnccc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000629650643 361547589 /nfs/dbraw/zinc/54/75/89/361547589.db2.gz YNFJFBAZTHWEHK-QWRGUYRKSA-N 2 0 207.321 1.605 20 0 BDADRP C[C@@H]1CCC[N@H+](Cc2ccn(C)c2)[C@@H]1CC[NH3+] ZINC000629650704 361547693 /nfs/dbraw/zinc/54/76/93/361547693.db2.gz ZTAASMMBWUNKBA-TZMCWYRMSA-N 2 0 235.375 1.974 20 0 BDADRP C[C@H]1CCC[N@H+](CC2=CCCOC2)[C@@H]1CC[NH3+] ZINC000629650553 361548087 /nfs/dbraw/zinc/54/80/87/361548087.db2.gz VYTGZDOGCHKYDS-GXTWGEPZSA-N 2 0 238.375 1.782 20 0 BDADRP Cn1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000629652167 361549484 /nfs/dbraw/zinc/54/94/84/361549484.db2.gz XIPYMGUOWLAXEZ-CABCVRRESA-N 2 0 247.386 1.989 20 0 BDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CC1=CCCOC1 ZINC000629652211 361549742 /nfs/dbraw/zinc/54/97/42/361549742.db2.gz YAYHBDFALFHDOG-CYBMUJFWSA-N 2 0 226.364 1.638 20 0 BDADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC1=CCCOC1 ZINC000629652212 361550500 /nfs/dbraw/zinc/55/05/00/361550500.db2.gz YAYHBDFALFHDOG-ZDUSSCGKSA-N 2 0 226.364 1.638 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000629653777 361554858 /nfs/dbraw/zinc/55/48/58/361554858.db2.gz NMALCXCSMVPVQG-QNWHQSFQSA-N 2 0 225.380 1.247 20 0 BDADRP C[N@H+](CC1=CCCOC1)CC(C)(C)C[NH3+] ZINC000629651830 361557135 /nfs/dbraw/zinc/55/71/35/361557135.db2.gz LBZJSDKTKXODBJ-UHFFFAOYSA-N 2 0 212.337 1.250 20 0 BDADRP CC[C@H]([NH2+]CCC[N@H+](C)CCOC)C(C)C ZINC000153769778 201247804 /nfs/dbraw/zinc/24/78/04/201247804.db2.gz ZRCAKAROQJYSQP-ZDUSSCGKSA-N 2 0 230.396 1.979 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CCCCO)C1 ZINC000309978848 491159239 /nfs/dbraw/zinc/15/92/39/491159239.db2.gz VGKXQSOYJNQDFK-STQMWFEESA-N 2 0 228.380 1.469 20 0 BDADRP CCC(CC)(C[NH3+])C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000434703268 201233016 /nfs/dbraw/zinc/23/30/16/201233016.db2.gz RJRNVILLDGNINW-QWRGUYRKSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@@H]([NH3+])CCC(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000434688710 201233668 /nfs/dbraw/zinc/23/36/68/201233668.db2.gz OYMADRABRCXYAR-NXEZZACHSA-N 2 0 235.331 1.772 20 0 BDADRP COCCCCC[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435623425 201279942 /nfs/dbraw/zinc/27/99/42/201279942.db2.gz UZLPRWHFRWUAHO-ZDUSSCGKSA-N 2 0 228.380 1.877 20 0 BDADRP C[NH2+]CCC[NH+]1CCC(OCC2CC2)CC1 ZINC000435880574 201292292 /nfs/dbraw/zinc/29/22/92/201292292.db2.gz PZGZBNINSBHKKF-UHFFFAOYSA-N 2 0 226.364 1.487 20 0 BDADRP C[NH2+]CCCN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000435880920 201291472 /nfs/dbraw/zinc/29/14/72/201291472.db2.gz RHZGQZXJYINOKZ-CQSZACIVSA-N 2 0 239.407 1.404 20 0 BDADRP CCN1C[C@H](C)[C@H]([NH2+]CC2(N(C)C)CCC2)C1 ZINC000437107529 201343932 /nfs/dbraw/zinc/34/39/32/201343932.db2.gz PPPWGUYDTXOXFT-QWHCGFSZSA-N 2 0 239.407 1.401 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@H+](CC[C@H]2CCOC2)C1 ZINC000437782785 201371806 /nfs/dbraw/zinc/37/18/06/201371806.db2.gz HCGJOALJKUHSFE-STQMWFEESA-N 2 0 226.364 1.297 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000438179530 201395920 /nfs/dbraw/zinc/39/59/20/201395920.db2.gz OOPHXZQVVJUYHX-MGPQQGTHSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)[C@H]([NH3+])c1cn(-c2cccc(C[NH3+])c2)nn1 ZINC000630607075 364331752 /nfs/dbraw/zinc/33/17/52/364331752.db2.gz BZUCNPKEKXYAAE-ZDUSSCGKSA-N 2 0 245.330 1.382 20 0 BDADRP C[NH2+]C(C)(C)c1cn(-c2cccc(C[NH3+])c2)nn1 ZINC000630607616 364332961 /nfs/dbraw/zinc/33/29/61/364332961.db2.gz LERAAGFXTDWDJY-UHFFFAOYSA-N 2 0 245.330 1.181 20 0 BDADRP C[C@@H]1CC[C@H](N[C@@H]2CC[N@H+](C)[C@H](C)C2)C[NH2+]1 ZINC000399080705 364782398 /nfs/dbraw/zinc/78/23/98/364782398.db2.gz RRZGPSISTSJJBD-LPWJVIDDSA-N 2 0 225.380 1.199 20 0 BDADRP [NH3+]CCC1CC[NH+](C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000328141556 364811476 /nfs/dbraw/zinc/81/14/76/364811476.db2.gz BCGJEYXIOMUPIC-KBPBESRZSA-N 2 0 240.391 1.598 20 0 BDADRP CN(C)c1cc[nH+]cc1CNC1CC([NH+](C)C)C1 ZINC000573385999 364822004 /nfs/dbraw/zinc/82/20/04/364822004.db2.gz PMXIZYAFBZAQMN-UHFFFAOYSA-N 2 0 248.374 1.330 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)C1 ZINC000573696606 364889077 /nfs/dbraw/zinc/88/90/77/364889077.db2.gz KNZDFSMCYAABPQ-SJHCENCUSA-N 2 0 224.348 1.413 20 0 BDADRP [NH3+]C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)C1CCCCC1 ZINC000573742438 364907591 /nfs/dbraw/zinc/90/75/91/364907591.db2.gz VFLYYESULPKSRJ-MCIONIFRSA-N 2 0 239.407 1.754 20 0 BDADRP [NH3+]CCCC[NH2+][C@H]1CCc2ccccc2C1 ZINC000037715493 181377965 /nfs/dbraw/zinc/37/79/65/181377965.db2.gz SLXCZCCVSPAMHA-AWEZNQCLSA-N 2 0 218.344 1.872 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000574563098 365089309 /nfs/dbraw/zinc/08/93/09/365089309.db2.gz QEHLIVZRRSZRBC-DYEKYZERSA-N 2 0 239.407 1.304 20 0 BDADRP NCC[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000134103875 181396807 /nfs/dbraw/zinc/39/68/07/181396807.db2.gz WILNUTZAZLDUQX-LLVKDONJSA-N 2 0 210.708 1.356 20 0 BDADRP [NH3+][C@@H]1CCCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000574882741 365167986 /nfs/dbraw/zinc/16/79/86/365167986.db2.gz TVAUDSSMJYIZTJ-OAHLLOKOSA-N 3 0 245.370 1.255 20 0 BDADRP CC(C)[NH2+]CCCNC1CC[NH+](C2CC2)CC1 ZINC000575038355 365173992 /nfs/dbraw/zinc/17/39/92/365173992.db2.gz WVWBLQWDJVWIHP-UHFFFAOYSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000443066963 193012458 /nfs/dbraw/zinc/01/24/58/193012458.db2.gz KMEAYPIKFMLVJT-CHWSQXEVSA-N 2 0 239.407 1.258 20 0 BDADRP [NH3+]CC[C@H]1CCC[N@H+](CCOCC2CC2)C1 ZINC000443068982 193012858 /nfs/dbraw/zinc/01/28/58/193012858.db2.gz JCERXWVVVKLPLL-GFCCVEGCSA-N 2 0 226.364 1.474 20 0 BDADRP CC(C)n1cncc1CNC1CC([NH+](C)C)C1 ZINC000575329838 365292448 /nfs/dbraw/zinc/29/24/48/365292448.db2.gz SDLBLSSHNJWTIF-UHFFFAOYSA-N 2 0 236.363 1.646 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000575924945 365416653 /nfs/dbraw/zinc/41/66/53/365416653.db2.gz ZVWXPTBVEGDUFQ-GVXVVHGQSA-N 2 0 249.358 1.319 20 0 BDADRP CC(C)[NH2+]CCCN[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000575980126 365433047 /nfs/dbraw/zinc/43/30/47/365433047.db2.gz UTHDCHIRKXVEBU-GXTWGEPZSA-N 2 0 239.407 1.447 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@H](OC)C2CC2)CC1 ZINC000340488344 365491788 /nfs/dbraw/zinc/49/17/88/365491788.db2.gz NZRVSZWRYKWABE-ZDUSSCGKSA-N 2 0 226.364 1.485 20 0 BDADRP CCO[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000576122153 365494769 /nfs/dbraw/zinc/49/47/69/365494769.db2.gz XUHSMHVJIJABDE-WUHRBBMRSA-N 2 0 226.364 1.804 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]CC(C)(C)O)C1 ZINC000576149152 365500060 /nfs/dbraw/zinc/50/00/60/365500060.db2.gz LWUHPYNFALRDBW-WDEREUQCSA-N 2 0 214.353 1.220 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCOCC1CCC1 ZINC000564826486 325813026 /nfs/dbraw/zinc/81/30/26/325813026.db2.gz OYTVSWFIGYATEV-GFCCVEGCSA-N 2 0 228.380 1.910 20 0 BDADRP CC(C)[C@@H](C(=O)NCC[NH2+]C(C)(C)C)[C@@H](C)[NH3+] ZINC000579709577 366986836 /nfs/dbraw/zinc/98/68/36/366986836.db2.gz WZCNRHBITOUCOT-GHMZBOCLSA-N 2 0 243.395 1.110 20 0 BDADRP CC(C)C[C@H]([NH3+])c1noc(CC[NH2+]C(C)C)n1 ZINC000564959574 325835326 /nfs/dbraw/zinc/83/53/26/325835326.db2.gz NEHCDGPEGJUFCP-JTQLQIEISA-N 2 0 240.351 1.656 20 0 BDADRP C[C@@H]([NH2+]CCCO)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185709768 367140354 /nfs/dbraw/zinc/14/03/54/367140354.db2.gz BEJYEARRYAQAPZ-CHWSQXEVSA-N 2 0 240.391 1.611 20 0 BDADRP FC1(C[NH2+]CCCCn2ccnc2)CC1 ZINC000380352002 367189812 /nfs/dbraw/zinc/18/98/12/367189812.db2.gz VNYMGYYRPLZURQ-UHFFFAOYSA-N 2 0 211.284 1.755 20 0 BDADRP CC[C@@]1(C)CCC[N@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000580897312 367201651 /nfs/dbraw/zinc/20/16/51/367201651.db2.gz KRYSHKHBYINUHI-STQMWFEESA-N 2 0 228.380 1.469 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@@H](C)[C@@H]2C)CC[NH2+]1 ZINC000380565359 367244762 /nfs/dbraw/zinc/24/47/62/367244762.db2.gz OJDMCLRZBCSMGE-MROQNXINSA-N 2 0 226.364 1.484 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000381470009 367413858 /nfs/dbraw/zinc/41/38/58/367413858.db2.gz NZQAICPEASKCPZ-NDBYEHHHSA-N 2 0 226.364 1.626 20 0 BDADRP C[NH2+]CCC[NH+]1CCC(OC(C)C)CC1 ZINC000381508578 367421923 /nfs/dbraw/zinc/42/19/23/367421923.db2.gz MZAYIRYRKYXPMP-UHFFFAOYSA-N 2 0 214.353 1.485 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000382166834 367492914 /nfs/dbraw/zinc/49/29/14/367492914.db2.gz VCSNGDKCUSDPKM-PYJNHQTQSA-N 2 0 222.376 1.962 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000382166835 367492947 /nfs/dbraw/zinc/49/29/47/367492947.db2.gz VCSNGDKCUSDPKM-VZZFWQQMSA-N 2 0 222.376 1.962 20 0 BDADRP COC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000381745161 367454181 /nfs/dbraw/zinc/45/41/81/367454181.db2.gz PWDVBEXTHIIRLC-STQMWFEESA-N 2 0 228.380 1.731 20 0 BDADRP C[C@H](O)[C@@H]1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000581489209 367519812 /nfs/dbraw/zinc/51/98/12/367519812.db2.gz PJBQJACLSLIDAG-YNEHKIRRSA-N 2 0 226.364 1.079 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC000383114513 367597329 /nfs/dbraw/zinc/59/73/29/367597329.db2.gz ATFRMYOXTQQSGA-UWVGGRQHSA-N 2 0 218.291 1.891 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@@H]3CCCC[C@H]3O)C[C@H]12 ZINC000383264909 367609489 /nfs/dbraw/zinc/60/94/89/367609489.db2.gz GLSZTQZNFPHBPQ-MBJXGIAVSA-N 2 0 238.375 1.207 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)C1 ZINC000383377162 367617535 /nfs/dbraw/zinc/61/75/35/367617535.db2.gz AADXZFJTRMKATR-DGAVXFQQSA-N 2 0 240.391 1.645 20 0 BDADRP CC[C@H]1[C@@H](C)CC[N@@H+]1CCOCC[NH3+] ZINC000384048549 367669489 /nfs/dbraw/zinc/66/94/89/367669489.db2.gz RTCBXWCUYYTDLR-QWRGUYRKSA-N 2 0 200.326 1.082 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)[C@H](C)O1 ZINC000384527853 367697913 /nfs/dbraw/zinc/69/79/13/367697913.db2.gz CDNIQSNFKVJMFE-VOAKCMCISA-N 2 0 226.364 1.484 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2C[NH3+])[C@H](C)O1 ZINC000384714286 367719154 /nfs/dbraw/zinc/71/91/54/367719154.db2.gz GZPXOLGZGSELHY-IIRVCBMXSA-N 2 0 212.337 1.269 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)[C@H](C)O1 ZINC000384749389 367726431 /nfs/dbraw/zinc/72/64/31/367726431.db2.gz MNIXROADKXUCFV-KXNHARMFSA-N 2 0 212.337 1.142 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000384854449 367744955 /nfs/dbraw/zinc/74/49/55/367744955.db2.gz GHICESIPIPCZDA-FRRDWIJNSA-N 2 0 228.380 1.874 20 0 BDADRP C[C@H](C[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C)C[NH+]1CCCC1 ZINC000384871275 367746864 /nfs/dbraw/zinc/74/68/64/367746864.db2.gz ILMAGUZIKLLHBZ-AAVRWANBSA-N 2 0 240.391 1.874 20 0 BDADRP C[N@H+](CCc1cccnc1)C1CC([NH3+])C1 ZINC000384705397 367717306 /nfs/dbraw/zinc/71/73/06/367717306.db2.gz BZZUDVKHKOQTRE-UHFFFAOYSA-N 2 0 205.305 1.046 20 0 BDADRP Cc1cnccc1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000385041706 367777299 /nfs/dbraw/zinc/77/72/99/367777299.db2.gz OCJVQOWEBUDJMT-OCCSQVGLSA-N 2 0 233.359 1.949 20 0 BDADRP CC[C@@H]1C[N@H+](Cc2ccncc2C)CC[C@@H]1[NH3+] ZINC000385057077 367780728 /nfs/dbraw/zinc/78/07/28/367780728.db2.gz SJIQACVGYOZINR-OCCSQVGLSA-N 2 0 233.359 1.949 20 0 BDADRP CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000581720385 367783030 /nfs/dbraw/zinc/78/30/30/367783030.db2.gz PYGDJBGEBGJAPM-WHOHXGKFSA-N 2 0 212.337 1.271 20 0 BDADRP Cc1cccc(OCC[N@@H+](C)C2CC([NH3+])C2)c1 ZINC000385075060 367784432 /nfs/dbraw/zinc/78/44/32/367784432.db2.gz WAJNCUQTFUGJLX-UHFFFAOYSA-N 2 0 234.343 1.795 20 0 BDADRP CCC[NH+]1CCC([NH2+]CCC(C)(C)CO)CC1 ZINC000385872194 367872819 /nfs/dbraw/zinc/87/28/19/367872819.db2.gz JMRHIWMHKJCSDB-UHFFFAOYSA-N 2 0 242.407 1.859 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCO[C@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000386136536 367917465 /nfs/dbraw/zinc/91/74/65/367917465.db2.gz PSJWPCNQLTZBIR-LPWJVIDDSA-N 2 0 226.364 1.674 20 0 BDADRP CC(C)(CO)CC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000385953190 367889440 /nfs/dbraw/zinc/88/94/40/367889440.db2.gz XVBQOVYPHYGQEP-NWDGAFQWSA-N 2 0 228.380 1.502 20 0 BDADRP C[C@H](CC(C)(C)O)[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000385965628 367891709 /nfs/dbraw/zinc/89/17/09/367891709.db2.gz GAYVGDNKEFPNLM-GRYCIOLGSA-N 2 0 228.380 1.656 20 0 BDADRP C[C@@H](NCC1([NH+](C)C)CCC1)[C@H]1CCCC[NH2+]1 ZINC000385991376 367894300 /nfs/dbraw/zinc/89/43/00/367894300.db2.gz JCVLKBVQTPPIPD-CHWSQXEVSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H](CO)C1CCCC1 ZINC000386021971 367898942 /nfs/dbraw/zinc/89/89/42/367898942.db2.gz OVBAJZIRHHOHIX-DGCLKSJQSA-N 2 0 228.380 1.645 20 0 BDADRP C[C@H](NC[C@H](O)CC(C)(C)C)[C@@H]1CCCC[NH2+]1 ZINC000386419447 367967370 /nfs/dbraw/zinc/96/73/70/367967370.db2.gz JZFONUKJWVAJPA-XQQFMLRXSA-N 2 0 242.407 1.904 20 0 BDADRP Cc1ncccc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000581943536 367971066 /nfs/dbraw/zinc/97/10/66/367971066.db2.gz LFDPDRREHMSTKM-ZJUUUORDSA-N 2 0 207.321 1.605 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCCOC1)[C@H]1CCCC[NH2+]1 ZINC000386504052 367981664 /nfs/dbraw/zinc/98/16/64/367981664.db2.gz WDKOPOCBQHBDJH-RWMBFGLXSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H]([NH2+]CC(C)(C)CCCO)[C@@H]1CCCC[NH2+]1 ZINC000386518715 367984613 /nfs/dbraw/zinc/98/46/13/367984613.db2.gz YJKHEHMIZJQKHD-STQMWFEESA-N 2 0 242.407 1.905 20 0 BDADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@H](C(C)C)CC1 ZINC000566352132 326035838 /nfs/dbraw/zinc/03/58/38/326035838.db2.gz XGEMUSPXBHNWGT-UONOGXRCSA-N 2 0 242.407 1.715 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)O1 ZINC000253196853 368613223 /nfs/dbraw/zinc/61/32/23/368613223.db2.gz UDXGIRJMVKRDEN-QNWHQSFQSA-N 2 0 226.364 1.471 20 0 BDADRP C[C@@H]([NH2+]C(C)(C)CNC(N)=[NH2+])c1ccccc1 ZINC000069672703 368757456 /nfs/dbraw/zinc/75/74/56/368757456.db2.gz KWCKOJRMCMMEJM-SNVBAGLBSA-N 2 0 234.347 1.599 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000086403730 368880250 /nfs/dbraw/zinc/88/02/50/368880250.db2.gz MMSLHJUZTVPHSI-QWHCGFSZSA-N 3 0 225.380 1.188 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000089145858 368937556 /nfs/dbraw/zinc/93/75/56/368937556.db2.gz QNHGDAWSKDRIJP-MGPQQGTHSA-N 3 0 239.407 1.435 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@H]1C[NH3+] ZINC000631837770 369101833 /nfs/dbraw/zinc/10/18/33/369101833.db2.gz WRMIZCRVWIEOLT-UTUOFQBUSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@@H](O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000459358582 203267434 /nfs/dbraw/zinc/26/74/34/203267434.db2.gz BHGUNCJDHYMXCJ-BZPMIXESSA-N 2 0 238.375 1.316 20 0 BDADRP CCC[N@@H+]1CC[C@@H](C[NH2+]CC2(O)CCC2)C1 ZINC000567680990 326244423 /nfs/dbraw/zinc/24/44/23/326244423.db2.gz JYRGOKQUZCUXOR-LBPRGKRZSA-N 2 0 226.364 1.223 20 0 BDADRP COC(C)(C)C[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000404296516 369425704 /nfs/dbraw/zinc/42/57/04/369425704.db2.gz CWBVTNBPXLMXAW-LBPRGKRZSA-N 2 0 228.380 1.733 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCSC2)C1 ZINC000459722419 203341775 /nfs/dbraw/zinc/34/17/75/203341775.db2.gz BHQAUPXNXXKSQU-VXGBXAGGSA-N 2 0 228.405 1.813 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccccn2)C1 ZINC000459729352 203343625 /nfs/dbraw/zinc/34/36/25/203343625.db2.gz JCMYMINLBBUGNC-CYBMUJFWSA-N 2 0 233.359 1.903 20 0 BDADRP Cn1ccnc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459734837 203347616 /nfs/dbraw/zinc/34/76/16/203347616.db2.gz OPJSYLQVXALIQN-GFCCVEGCSA-N 2 0 236.363 1.242 20 0 BDADRP C[C@H]1C[C@@H]([NH3+])CN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000631862353 369517140 /nfs/dbraw/zinc/51/71/40/369517140.db2.gz OFUKAGVAAZEESD-XHDPSFHLSA-N 2 0 245.370 1.254 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1C[C@@H]2C[C@H]1CS2 ZINC000459784629 203367500 /nfs/dbraw/zinc/36/75/00/203367500.db2.gz AHFGUQBRRAHFRS-SRVKXCTJSA-N 2 0 226.389 1.660 20 0 BDADRP [NH3+]Cc1ccc(C(=O)NC2(C[NH3+])CCCC2)cc1 ZINC000262462645 181480643 /nfs/dbraw/zinc/48/06/43/181480643.db2.gz WMVIFSRXAYKRMH-UHFFFAOYSA-N 2 0 247.342 1.147 20 0 BDADRP COCC1(CC[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000567893667 326278279 /nfs/dbraw/zinc/27/82/79/326278279.db2.gz ICHCRAQDWZEUKX-STQMWFEESA-N 2 0 240.391 1.781 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000568165559 326317895 /nfs/dbraw/zinc/31/78/95/326317895.db2.gz QOJHBSWHKQPYDM-MCIONIFRSA-N 2 0 242.407 1.667 20 0 BDADRP CSCC[C@H](C)[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000252687783 370115931 /nfs/dbraw/zinc/11/59/31/370115931.db2.gz MHYJDWZOSZXQEO-QWRGUYRKSA-N 2 0 216.394 1.669 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000252678985 370111345 /nfs/dbraw/zinc/11/13/45/370111345.db2.gz WDZOKLLONBHSJY-CRWXNKLISA-N 2 0 240.391 1.645 20 0 BDADRP CC1(F)CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000631867420 370229469 /nfs/dbraw/zinc/22/94/69/370229469.db2.gz UFMVPOQWBNDOFF-NSHDSACASA-N 2 0 242.338 1.331 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C(C)C)CC1 ZINC000310336479 370336265 /nfs/dbraw/zinc/33/62/65/370336265.db2.gz CTUDUULIBZDTSY-CQSZACIVSA-N 2 0 242.407 1.667 20 0 BDADRP Cc1cc(CN(C)C2CC[NH2+]CC2)ccn1 ZINC000621773814 370518262 /nfs/dbraw/zinc/51/82/62/370518262.db2.gz CLQGEMQNRGNDFM-UHFFFAOYSA-N 2 0 219.332 1.574 20 0 BDADRP [NH3+][C@]12CCC[C@@H]1C[N@H+](CC[C@H]1CCCO1)C2 ZINC000621784124 370536483 /nfs/dbraw/zinc/53/64/83/370536483.db2.gz KHLZEESPXFLSRY-UPJWGTAASA-N 2 0 224.348 1.369 20 0 BDADRP CC[NH+](CC)CCCN1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621784836 370537060 /nfs/dbraw/zinc/53/70/60/370537060.db2.gz VTMGEUJASONDFA-KBPBESRZSA-N 2 0 239.407 1.532 20 0 BDADRP Cc1cc(CN2CC[C@@H](C)C[C@H]2C[NH3+])ccn1 ZINC000621776657 370525372 /nfs/dbraw/zinc/52/53/72/370525372.db2.gz RQBYUQOQIQJOPV-RISCZKNCSA-N 2 0 233.359 1.949 20 0 BDADRP CCOCCC[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621782199 370530439 /nfs/dbraw/zinc/53/04/39/370530439.db2.gz NMMJSDXWUSXPSO-VXGBXAGGSA-N 2 0 212.337 1.226 20 0 BDADRP CCOCCC[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621782196 370530730 /nfs/dbraw/zinc/53/07/30/370530730.db2.gz NMMJSDXWUSXPSO-NEPJUHHUSA-N 2 0 212.337 1.226 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)[C@@H]1CCOC1 ZINC000624120539 371321008 /nfs/dbraw/zinc/32/10/08/371321008.db2.gz BKGAUVXZRUMSKN-MELADBBJSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624122902 371324634 /nfs/dbraw/zinc/32/46/34/371324634.db2.gz AVLLPKVRGDJPOX-MGPQQGTHSA-N 2 0 240.391 1.733 20 0 BDADRP C[N@@H+]1CCCC[C@@H](C[NH2+][C@H]2CCOC2(C)C)C1 ZINC000624123525 371324853 /nfs/dbraw/zinc/32/48/53/371324853.db2.gz NPUUGENICQTFPM-STQMWFEESA-N 2 0 240.391 1.875 20 0 BDADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2CCOC2(C)C)C1 ZINC000624123523 371325200 /nfs/dbraw/zinc/32/52/00/371325200.db2.gz NPUUGENICQTFPM-OLZOCXBDSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC[C@@H](O)C(F)F)CN1C1CC1 ZINC000631216556 372238868 /nfs/dbraw/zinc/23/88/68/372238868.db2.gz LKGUGJHMTMBBOL-FXPVBKGRSA-N 2 0 248.317 1.217 20 0 BDADRP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1O ZINC000631811276 372588508 /nfs/dbraw/zinc/58/85/08/372588508.db2.gz WYCUGMJGNKRGAH-GHYVTOPFSA-N 2 0 238.375 1.362 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@H]2CCO[C@@H]2C)C1 ZINC000631821374 372595085 /nfs/dbraw/zinc/59/50/85/372595085.db2.gz WJROGGZVZZHCAB-FRRDWIJNSA-N 2 0 226.364 1.343 20 0 BDADRP CC(C)OCCC[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839088 372607607 /nfs/dbraw/zinc/60/76/07/372607607.db2.gz AAPGWXSXSNHPNN-VXGBXAGGSA-N 2 0 214.353 1.328 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631828452 372609689 /nfs/dbraw/zinc/60/96/89/372609689.db2.gz PGVHPCOJPVSGSX-VOAKCMCISA-N 2 0 226.364 1.328 20 0 BDADRP C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000631828884 372610709 /nfs/dbraw/zinc/61/07/09/372610709.db2.gz AVLKNNBJXCLRNI-NNYUYHANSA-N 2 0 212.337 1.271 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCCO1 ZINC000631828898 372611717 /nfs/dbraw/zinc/61/17/17/372611717.db2.gz BAQQVRLVRWATRJ-IJLUTSLNSA-N 2 0 212.337 1.415 20 0 BDADRP [NH3+][C@H]1CCCCCN(CCOCC2CC2)C1 ZINC000631833883 372618271 /nfs/dbraw/zinc/61/82/71/372618271.db2.gz KWKKBEVTJSMAEP-ZDUSSCGKSA-N 2 0 226.364 1.616 20 0 BDADRP N[C@@H]1CCCCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000631834877 372619945 /nfs/dbraw/zinc/61/99/45/372619945.db2.gz HOHUINMVUGPJPS-ZIAGYGMSSA-N 2 0 239.407 1.579 20 0 BDADRP Cc1nc(C)c(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)s1 ZINC000631837892 372630409 /nfs/dbraw/zinc/63/04/09/372630409.db2.gz GWNTVCGQXKZWRH-GZMMTYOYSA-N 2 0 239.388 1.787 20 0 BDADRP C[C@@H]1C[N@H+](CCCc2ccncc2)C[C@H]1C[NH3+] ZINC000631837975 372632344 /nfs/dbraw/zinc/63/23/44/372632344.db2.gz HXFPEZKJRWTNGH-TZMCWYRMSA-N 2 0 233.359 1.541 20 0 BDADRP C([C@H]1CCCCO1)[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631890093 372687312 /nfs/dbraw/zinc/68/73/12/372687312.db2.gz MCWNEHULHGQGNZ-BFHYXJOUSA-N 2 0 238.375 1.629 20 0 BDADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](C/C=C\Cl)C2 ZINC000379663999 373037019 /nfs/dbraw/zinc/03/70/19/373037019.db2.gz UITIKJHIMDXKGN-FZJVJALKSA-N 2 0 214.740 1.800 20 0 BDADRP CC1(C)OCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000336888323 206040346 /nfs/dbraw/zinc/04/03/46/206040346.db2.gz FFIIVFFWQNUEOZ-XQQFMLRXSA-N 2 0 238.375 1.770 20 0 BDADRP COC[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C1CC1 ZINC000424379624 206040420 /nfs/dbraw/zinc/04/04/20/206040420.db2.gz VUNNKMSNEIWWQE-IJLUTSLNSA-N 2 0 212.337 1.271 20 0 BDADRP C[NH+]1CCC(NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000437740542 206070919 /nfs/dbraw/zinc/07/09/19/206070919.db2.gz YRCWXWCUEORYQG-CQSZACIVSA-N 2 0 233.359 1.370 20 0 BDADRP CC[C@H](COC)[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000224437158 259574944 /nfs/dbraw/zinc/57/49/44/259574944.db2.gz JKSPJOMOMDJICK-FRRDWIJNSA-N 2 0 228.380 1.874 20 0 BDADRP OCCCC[N@H+](CCC1CC[NH2+]CC1)C1CC1 ZINC000359211644 183049040 /nfs/dbraw/zinc/04/90/40/183049040.db2.gz DGXXVNGCNYKKKU-UHFFFAOYSA-N 2 0 240.391 1.613 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)C(CC)(CC)C[NH3+] ZINC000337532938 169002546 /nfs/dbraw/zinc/00/25/46/169002546.db2.gz DWCVTMLVVIBLBI-LLVKDONJSA-N 2 0 243.395 1.385 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)N(C)CC[NH+]1CCCC1 ZINC000063052829 169006102 /nfs/dbraw/zinc/00/61/02/169006102.db2.gz INLVGMKUUYOBKT-LBPRGKRZSA-N 2 0 241.379 1.058 20 0 BDADRP OC[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000129245335 183143060 /nfs/dbraw/zinc/14/30/60/183143060.db2.gz RQXAORMLXYMKRV-KBPBESRZSA-N 2 0 234.343 1.452 20 0 BDADRP OC[C@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000049474443 183152692 /nfs/dbraw/zinc/15/26/92/183152692.db2.gz WQMHQPZLICOLAY-ZDUSSCGKSA-N 2 0 226.364 1.177 20 0 BDADRP OCc1cccc(C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000227455929 183166764 /nfs/dbraw/zinc/16/67/64/183166764.db2.gz ZCURBSCPLPITMH-AWEZNQCLSA-N 2 0 234.343 1.411 20 0 BDADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)C(C)C)C1 ZINC000336720570 169077179 /nfs/dbraw/zinc/07/71/79/169077179.db2.gz WYXGAVJSYUHIFG-KGLIPLIRSA-N 2 0 242.407 1.667 20 0 BDADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)C(C)C)C1 ZINC000336720571 169077204 /nfs/dbraw/zinc/07/72/04/169077204.db2.gz WYXGAVJSYUHIFG-UONOGXRCSA-N 2 0 242.407 1.667 20 0 BDADRP CCC[NH+](CCC)CCCNC(=O)[C@H](C)C[NH3+] ZINC000357199690 169147523 /nfs/dbraw/zinc/14/75/23/169147523.db2.gz LQKPGJYMNIXLAM-GFCCVEGCSA-N 2 0 243.395 1.210 20 0 BDADRP CCC[N@H+](CCO)CC[C@@H]1CCC[NH+]1C ZINC000305707179 169165260 /nfs/dbraw/zinc/16/52/60/169165260.db2.gz YVGWAXIDRBFTEG-LBPRGKRZSA-N 2 0 214.353 1.175 20 0 BDADRP CCC[NH+]1CCC([NH2+]CCc2cn[nH]c2)CC1 ZINC000353632762 169188238 /nfs/dbraw/zinc/18/82/38/169188238.db2.gz USCSTXCLVWPWQU-UHFFFAOYSA-N 2 0 236.363 1.416 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H]2CCSC2)CC1 ZINC000020189566 169189177 /nfs/dbraw/zinc/18/91/77/169189177.db2.gz WHQZRWKCQKNBBP-LBPRGKRZSA-N 2 0 228.405 1.956 20 0 BDADRP CCC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000109754421 169203365 /nfs/dbraw/zinc/20/33/65/169203365.db2.gz TYFGSDMLIVLEHZ-AWEZNQCLSA-N 2 0 239.407 1.498 20 0 BDADRP CCC[NH+]1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000369155768 169203855 /nfs/dbraw/zinc/20/38/55/169203855.db2.gz LXZYBHMSTJZPRI-UHFFFAOYSA-N 2 0 239.407 1.498 20 0 BDADRP CCC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000374429009 169204451 /nfs/dbraw/zinc/20/44/51/169204451.db2.gz NNFCPVMWZSBNDK-FRRDWIJNSA-N 2 0 226.364 1.580 20 0 BDADRP CCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363256497 169210110 /nfs/dbraw/zinc/21/01/10/169210110.db2.gz LGGQIRCURAUPAC-JHJVBQTASA-N 2 0 208.349 1.813 20 0 BDADRP CCC[NH2+][C@@H](C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000295188063 169274475 /nfs/dbraw/zinc/27/44/75/169274475.db2.gz WVJZSXQGWUCAMJ-JTQLQIEISA-N 2 0 235.331 1.472 20 0 BDADRP CCC[C@@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128368513 169369889 /nfs/dbraw/zinc/36/98/89/169369889.db2.gz AHJXEIVUWGTEGC-CQSZACIVSA-N 2 0 241.423 1.792 20 0 BDADRP C([NH2+]C1CC[NH2+]CC1)[C@@H]1CCCCS1 ZINC000087683981 383858688 /nfs/dbraw/zinc/85/86/88/383858688.db2.gz MZDOBHDHHMJOMA-NSHDSACASA-N 2 0 214.378 1.614 20 0 BDADRP CC[C@H]([NH3+])C(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000037825059 383865980 /nfs/dbraw/zinc/86/59/80/383865980.db2.gz DIIOFCRXCVDYJN-LBPRGKRZSA-N 2 0 241.379 1.057 20 0 BDADRP CC[NH+]1CCC(C[NH2+]C[C@@H](OC)C2CC2)CC1 ZINC000400193650 383866889 /nfs/dbraw/zinc/86/68/89/383866889.db2.gz YJXQHGXPVQQOCQ-CQSZACIVSA-N 2 0 240.391 1.733 20 0 BDADRP COC[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC000347795102 383875598 /nfs/dbraw/zinc/87/55/98/383875598.db2.gz ZSDLWABDJDLXAN-ZIAGYGMSSA-N 2 0 240.391 1.875 20 0 BDADRP COC[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC000347795101 383875919 /nfs/dbraw/zinc/87/59/19/383875919.db2.gz ZSDLWABDJDLXAN-UONOGXRCSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCc2cccnc2)C1 ZINC000111695579 383877493 /nfs/dbraw/zinc/87/74/93/383877493.db2.gz RXVCTGGENBYTOL-GXTWGEPZSA-N 2 0 233.359 1.683 20 0 BDADRP C[NH+](C)CCC[NH2+]C1CCSCC1 ZINC000035120768 383830558 /nfs/dbraw/zinc/83/05/58/383830558.db2.gz PFMZIUZLXQQRKA-UHFFFAOYSA-N 2 0 202.367 1.423 20 0 BDADRP C[C@H]1OCC[C@H]1[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000336420609 383832618 /nfs/dbraw/zinc/83/26/18/383832618.db2.gz WPWOAJWJVJIADI-BXUZGUMPSA-N 2 0 238.375 1.770 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H]2COCC2(C)C)CC1 ZINC000313127829 383920985 /nfs/dbraw/zinc/92/09/85/383920985.db2.gz WFNWORVFOUWKBX-ZDUSSCGKSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@@](C)(C[NH3+])c1nc([C@H]2CCC[NH2+]2)no1 ZINC000647148031 383890518 /nfs/dbraw/zinc/89/05/18/383890518.db2.gz DJURQPFHRYBSOF-KCJUWKMLSA-N 2 0 224.308 1.121 20 0 BDADRP [NH3+]Cc1cc(-c2nc([C@@H]3CCC[NH2+]3)no2)co1 ZINC000647148087 383892289 /nfs/dbraw/zinc/89/22/89/383892289.db2.gz GGEOPPFPOWHTEP-VIFPVBQESA-N 2 0 234.259 1.213 20 0 BDADRP C(C[C@H]1CC[NH2+]C1)c1nc([C@H]2CCC[NH2+]2)no1 ZINC000647148180 383892823 /nfs/dbraw/zinc/89/28/23/383892823.db2.gz IOEPVZSVXAPXCV-VHSXEESVSA-N 2 0 236.319 1.036 20 0 BDADRP C1[C@H](c2nc([C@@H]3CCC[NH2+]3)no2)C12CC[NH2+]CC2 ZINC000647148710 383897224 /nfs/dbraw/zinc/89/72/24/383897224.db2.gz VRLQOCUZMJHGKN-ZJUUUORDSA-N 2 0 248.330 1.351 20 0 BDADRP Cc1cnc(CC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c(C)c1 ZINC000401131485 383980793 /nfs/dbraw/zinc/98/07/93/383980793.db2.gz QHZDDEONCDWVMB-ZIAGYGMSSA-N 2 0 245.370 1.392 20 0 BDADRP C[C@H](CCCCO)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000643541906 383940161 /nfs/dbraw/zinc/94/01/61/383940161.db2.gz PNFBDJXBWJKEAB-OLZOCXBDSA-N 2 0 228.380 1.659 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)CO1 ZINC000647216428 384018943 /nfs/dbraw/zinc/01/89/43/384018943.db2.gz JTJULTKEMUHUFX-NWDGAFQWSA-N 2 0 226.364 1.628 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+]CCC[NH2+]C2CC2)C1 ZINC000643545079 384008819 /nfs/dbraw/zinc/00/88/19/384008819.db2.gz LUIYXKVVOJRZCN-CHWSQXEVSA-N 2 0 226.364 1.676 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCC[NH2+]C2)C1 ZINC000643545433 384010001 /nfs/dbraw/zinc/01/00/01/384010001.db2.gz UCILWVBNVLATRL-FRRDWIJNSA-N 2 0 226.364 1.676 20 0 BDADRP COCCCC[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397326256 384083460 /nfs/dbraw/zinc/08/34/60/384083460.db2.gz ORZUOLYBNOORSX-AGIUHOORSA-N 2 0 228.380 1.718 20 0 BDADRP CC(C)[C@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)C(C)(C)O ZINC000357799161 384056357 /nfs/dbraw/zinc/05/63/57/384056357.db2.gz IWUMLCXWDMCLMB-AGIUHOORSA-N 2 0 242.407 1.854 20 0 BDADRP Cc1noc(CCCN2CC[C@H]([NH3+])C[C@H]2C)n1 ZINC000517754723 384096324 /nfs/dbraw/zinc/09/63/24/384096324.db2.gz FNMYCAPWGRTPLC-KOLCDFICSA-N 2 0 238.335 1.122 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000394103405 384101655 /nfs/dbraw/zinc/10/16/55/384101655.db2.gz WLPPEHDXZWXZBM-RWMBFGLXSA-N 2 0 228.380 1.358 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CO1 ZINC000401846956 384122810 /nfs/dbraw/zinc/12/28/10/384122810.db2.gz UUOLOCOEYLMSOH-NZISVWNOSA-N 2 0 224.348 1.379 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CCOCC1CCCC1 ZINC000313251193 384154791 /nfs/dbraw/zinc/15/47/91/384154791.db2.gz ITYWKBVJXKNZAD-GFCCVEGCSA-N 2 0 228.380 1.910 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)[C@H]1CCCO1)C[NH+]1CCCC1 ZINC000310341334 384139134 /nfs/dbraw/zinc/13/91/34/384139134.db2.gz MTOQQUSCADXTHP-HZSPNIEDSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)([NH3+])CCC(=O)N1CCCC[C@H]1CC[NH3+] ZINC000648136758 384158883 /nfs/dbraw/zinc/15/88/83/384158883.db2.gz KPBSMDAODKPCNY-NSHDSACASA-N 2 0 241.379 1.234 20 0 BDADRP CCOC[C@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000313265895 384183185 /nfs/dbraw/zinc/18/31/85/384183185.db2.gz MXQYDALODUCJEV-CQSZACIVSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@@H](CCCCO)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000644166672 384257799 /nfs/dbraw/zinc/25/77/99/384257799.db2.gz STWWVXVNKGRROH-QJPTWQEYSA-N 2 0 214.353 1.397 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cccnc3)C[C@H]21 ZINC000228471456 384257844 /nfs/dbraw/zinc/25/78/44/384257844.db2.gz PLVZZJICBWFQJI-BFHYXJOUSA-N 2 0 231.343 1.641 20 0 BDADRP COC[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000173778217 384259966 /nfs/dbraw/zinc/25/99/66/384259966.db2.gz YTEHTAJESPWLGV-NEPJUHHUSA-N 2 0 230.396 1.977 20 0 BDADRP Cc1ccc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)c(C)c1 ZINC000313343432 384272704 /nfs/dbraw/zinc/27/27/04/384272704.db2.gz BSSSAFOTJUPSIL-HNNXBMFYSA-N 2 0 248.370 1.853 20 0 BDADRP C[C@H]1CN(C)CC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000235578608 384302227 /nfs/dbraw/zinc/30/22/27/384302227.db2.gz RXNCCEYZWMKPIZ-LBPRGKRZSA-N 2 0 225.380 1.012 20 0 BDADRP [NH3+]C[C@@H]1CCCN(Cc2cncs2)C1 ZINC000095072564 384343517 /nfs/dbraw/zinc/34/35/17/384343517.db2.gz JQFIHNUESDYILQ-VIFPVBQESA-N 2 0 211.334 1.314 20 0 BDADRP C(CC1CCCCC1)[NH2+]CCN1CC[NH2+]CC1 ZINC000035635556 384416862 /nfs/dbraw/zinc/41/68/62/384416862.db2.gz BUPOZLVNTMLNFA-UHFFFAOYSA-N 2 0 239.407 1.452 20 0 BDADRP C[C@H]1NCCC[C@@H]1[NH2+]C1Cc2ccccc2C1 ZINC000335642708 384417972 /nfs/dbraw/zinc/41/79/72/384417972.db2.gz HLFDFWLLHDNUDV-ABAIWWIYSA-N 2 0 230.355 1.884 20 0 BDADRP CC(C)[NH+]1CCC(N[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000335644710 384420044 /nfs/dbraw/zinc/42/00/44/384420044.db2.gz YFWUMKIRWUEMGT-GXTWGEPZSA-N 2 0 239.407 1.589 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1NCc1nccs1 ZINC000084216414 384376894 /nfs/dbraw/zinc/37/68/94/384376894.db2.gz ROUSAOOXFRIRJD-ZJUUUORDSA-N 2 0 225.361 1.750 20 0 BDADRP CCCCOCC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000084220397 384377047 /nfs/dbraw/zinc/37/70/47/384377047.db2.gz PPACKNTYMHRLSH-RYUDHWBXSA-N 2 0 214.353 1.520 20 0 BDADRP CC[C@H](C)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000181128005 384451011 /nfs/dbraw/zinc/45/10/11/384451011.db2.gz UMVOHTZEVCGZBA-LBPRGKRZSA-N 2 0 228.380 1.564 20 0 BDADRP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]CCCC[NH3+] ZINC000305968093 384451406 /nfs/dbraw/zinc/45/14/06/384451406.db2.gz GHYPUSIGAWYJEH-LBPRGKRZSA-N 2 0 249.358 1.732 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cn[nH]c1 ZINC000305972633 384451843 /nfs/dbraw/zinc/45/18/43/384451843.db2.gz QCROLWFFRFJQQL-QWRGUYRKSA-N 2 0 234.347 1.545 20 0 BDADRP C[NH2+][C@H]1CCN(CCCCC2CCOCC2)C1 ZINC000305894896 384433208 /nfs/dbraw/zinc/43/32/08/384433208.db2.gz CJVPGPXFFDCYFR-AWEZNQCLSA-N 2 0 240.391 1.877 20 0 BDADRP CC[C@@H](C)N1CCO[C@H](C[NH+](C)C)C1 ZINC000181061063 384433572 /nfs/dbraw/zinc/43/35/72/384433572.db2.gz YBNUPTAIDQIACL-GHMZBOCLSA-N 2 0 200.326 1.047 20 0 BDADRP CC(C)OCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150808469 384513456 /nfs/dbraw/zinc/51/34/56/384513456.db2.gz QIFNJFSPQJDATQ-AWEZNQCLSA-N 2 0 240.391 1.829 20 0 BDADRP CC[N@H+](CC[C@H]1CCC[NH2+]C1)C[C@@H]1CCOC1 ZINC000643056778 384557963 /nfs/dbraw/zinc/55/79/63/384557963.db2.gz DPYFNAONGKKWHL-KGLIPLIRSA-N 2 0 240.391 1.735 20 0 BDADRP CC1(C)C[N@H+](CC[C@H]2CC[NH2+]C2)C(C)(C)CO1 ZINC000643057821 384561577 /nfs/dbraw/zinc/56/15/77/384561577.db2.gz BFOQJPFGMLEAHE-GFCCVEGCSA-N 2 0 240.391 1.875 20 0 BDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000236753528 384571349 /nfs/dbraw/zinc/57/13/49/384571349.db2.gz CQBODRZSWHXWTB-LBPRGKRZSA-N 2 0 241.379 1.106 20 0 BDADRP C[C@H]1[C@@H]([NH2+]C2CCC(O)CC2)CCCN1C ZINC000309734488 384572153 /nfs/dbraw/zinc/57/21/53/384572153.db2.gz BZYJBTXFPZFWQR-WTIISPKJSA-N 2 0 226.364 1.362 20 0 BDADRP CC[NH+](CC)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000236837560 384590656 /nfs/dbraw/zinc/59/06/56/384590656.db2.gz RPEDGLGBBYICMC-NEPJUHHUSA-N 2 0 241.379 1.057 20 0 BDADRP C[N@H+](CCC[NH+]1CCCC1)C[C@H]1CCOC1 ZINC000162170214 384582833 /nfs/dbraw/zinc/58/28/33/384582833.db2.gz OUSJYKRXRGBSBH-CYBMUJFWSA-N 2 0 226.364 1.441 20 0 BDADRP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C1(C)CC1 ZINC000151323036 384563754 /nfs/dbraw/zinc/56/37/54/384563754.db2.gz CVXOOLNKMMOKFR-OLZOCXBDSA-N 2 0 240.391 1.611 20 0 BDADRP CC(C)CN1CCO[C@H](C[NH2+]C(C)C)C1 ZINC000176361569 384610751 /nfs/dbraw/zinc/61/07/51/384610751.db2.gz WJNPFBMLVSGJIA-GFCCVEGCSA-N 2 0 214.353 1.341 20 0 BDADRP [NH3+]Cc1cn([C@@H]2CCC[N@H+](CC3CCC3)C2)nn1 ZINC000643080236 384619951 /nfs/dbraw/zinc/61/99/51/384619951.db2.gz KZCHNLIPMCBHKK-CYBMUJFWSA-N 2 0 249.362 1.174 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCn2cnnc2C2CC2)C1 ZINC000568249462 384620625 /nfs/dbraw/zinc/62/06/25/384620625.db2.gz QYKLETMECXIOCC-NEPJUHHUSA-N 2 0 249.362 1.015 20 0 BDADRP CC[NH+](CC)CCCCNC(=O)[C@@H](C)C[NH2+]C ZINC000236844399 384596804 /nfs/dbraw/zinc/59/68/04/384596804.db2.gz MIZJEXRZTFODFJ-LBPRGKRZSA-N 2 0 243.395 1.080 20 0 BDADRP CCCC[C@@H](C)[NH2+]CCN1CC[NH2+]CC1 ZINC000050889979 384600610 /nfs/dbraw/zinc/60/06/10/384600610.db2.gz GKYQSSJLGINDGY-GFCCVEGCSA-N 2 0 213.369 1.060 20 0 BDADRP Cc1ncc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000086403505 384645754 /nfs/dbraw/zinc/64/57/54/384645754.db2.gz XZJVRBZQODGJKE-NXEZZACHSA-N 2 0 225.361 1.811 20 0 BDADRP Cc1cccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])n1 ZINC000564823796 384661087 /nfs/dbraw/zinc/66/10/87/384661087.db2.gz COPRTXCZHWMSTJ-ONGXEEELSA-N 2 0 207.321 1.605 20 0 BDADRP Cn1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000647545753 384725882 /nfs/dbraw/zinc/72/58/82/384725882.db2.gz MHNPNSOBVQQDTK-QWHCGFSZSA-N 2 0 248.374 1.242 20 0 BDADRP CC(C)[N@H+](C[C@@H](C)O)CC1CC[NH2+]CC1 ZINC000086703525 384678459 /nfs/dbraw/zinc/67/84/59/384678459.db2.gz AUWMOBUYOZAFGJ-LLVKDONJSA-N 2 0 214.353 1.077 20 0 BDADRP C[NH+](C)CCc1ccc(NC(=O)[C@H]2CC[NH2+]2)cc1 ZINC000444173125 384681904 /nfs/dbraw/zinc/68/19/04/384681904.db2.gz SYFVDISQXLPXFA-CYBMUJFWSA-N 2 0 247.342 1.091 20 0 BDADRP C[C@H](O)CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000101635533 384683237 /nfs/dbraw/zinc/68/32/37/384683237.db2.gz DUQNWNUTORGVJR-WHOHXGKFSA-N 2 0 214.353 1.076 20 0 BDADRP C[N@H+](CC1CC[NH2+]CC1)C[C@@H]1CCCOC1 ZINC000082544746 384690350 /nfs/dbraw/zinc/69/03/50/384690350.db2.gz ODILVNLIPGOXSN-ZDUSSCGKSA-N 2 0 226.364 1.344 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2=CCCOC2)CC[N@@H+]1C ZINC000309660045 384699680 /nfs/dbraw/zinc/69/96/80/384699680.db2.gz ASCXPOCDAAOIFU-DGCLKSJQSA-N 2 0 224.348 1.405 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCCC(F)(F)[C@H]1O ZINC000423182971 384720240 /nfs/dbraw/zinc/72/02/40/384720240.db2.gz MDDODENHYHIVBM-RGOKHQFPSA-N 2 0 236.306 1.251 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]CC[C@H](C)[NH3+])C1(C)C ZINC000300380760 384732499 /nfs/dbraw/zinc/73/24/99/384732499.db2.gz DJEGGWAAHCEMMQ-HBNTYKKESA-N 2 0 214.353 1.517 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](NC[C@H]([NH3+])c2ccccc2)C1 ZINC000647546573 384732718 /nfs/dbraw/zinc/73/27/18/384732718.db2.gz PWPMNEZCKJYVLB-YUTCNCBUSA-N 2 0 233.359 1.274 20 0 BDADRP C[C@@H]1NCCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647546952 384732952 /nfs/dbraw/zinc/73/29/52/384732952.db2.gz IBTYYRQRJIWPCC-QNSTZXKLSA-N 2 0 237.391 1.105 20 0 BDADRP C[C@@H](O)CC[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000082993024 384735046 /nfs/dbraw/zinc/73/50/46/384735046.db2.gz DUQNWNUTORGVJR-KKOKHZNYSA-N 2 0 214.353 1.076 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](N[C@H](C[NH3+])C2CCCC2)C1 ZINC000647547940 384750355 /nfs/dbraw/zinc/75/03/55/384750355.db2.gz MJEMUYZMCCPTAI-WCFLWFBJSA-N 2 0 225.380 1.092 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000565661577 384766986 /nfs/dbraw/zinc/76/69/86/384766986.db2.gz ULCAJRNTBBYWQY-ZDUSSCGKSA-N 2 0 235.331 1.194 20 0 BDADRP CC(C)[C@H](O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000335571627 384772690 /nfs/dbraw/zinc/77/26/90/384772690.db2.gz QHHDVLIENWCSOO-CHWSQXEVSA-N 2 0 226.364 1.031 20 0 BDADRP CC(C)[C@H]1CC[C@@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000423351310 384823196 /nfs/dbraw/zinc/82/31/96/384823196.db2.gz HXIPFEWYFVREHA-OLZOCXBDSA-N 2 0 208.349 1.930 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C[C@@H]1CC[C@H](C)O1 ZINC000398179713 384829863 /nfs/dbraw/zinc/82/98/63/384829863.db2.gz SBKFKQLHCZBTJM-VOAKCMCISA-N 2 0 226.364 1.674 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCSC1)[C@H]1CCC[NH2+]1 ZINC000306577043 384781839 /nfs/dbraw/zinc/78/18/39/384781839.db2.gz KYAVVZFGFCDWJD-HBNTYKKESA-N 2 0 214.378 1.612 20 0 BDADRP C[C@@H](CCC1CC1)[NH2+]CCN1CC[NH2+]CC1 ZINC000398108276 384806972 /nfs/dbraw/zinc/80/69/72/384806972.db2.gz WTGHPJHIFWNVFW-LBPRGKRZSA-N 2 0 225.380 1.060 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC1(O)CCCCC1 ZINC000335040214 384813501 /nfs/dbraw/zinc/81/35/01/384813501.db2.gz CNDNDVJDCMPHFT-GHMZBOCLSA-N 2 0 212.337 1.151 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000423398876 384853561 /nfs/dbraw/zinc/85/35/61/384853561.db2.gz PCRXSMZIEMODMQ-IXOXFDKPSA-N 2 0 208.349 1.763 20 0 BDADRP CC(C)(C)CCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000300766376 384889042 /nfs/dbraw/zinc/88/90/42/384889042.db2.gz DXJQXGREESKDBH-TXEJJXNPSA-N 2 0 210.365 1.964 20 0 BDADRP CCC[C@H]([NH3+])C(=O)Nc1ccccc1C[NH2+]CC ZINC000236941007 384865816 /nfs/dbraw/zinc/86/58/16/384865816.db2.gz LUIHSUPRWNSAEQ-LBPRGKRZSA-N 2 0 249.358 1.862 20 0 BDADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)CCC1CCOCC1 ZINC000259039972 384953214 /nfs/dbraw/zinc/95/32/14/384953214.db2.gz PLQZZVWAQCHDBK-AWEZNQCLSA-N 2 0 240.391 1.735 20 0 BDADRP O[C@H](C[NH2+]C1CC2(CCC2)C1)C[NH+]1CCCC1 ZINC000448060422 384904477 /nfs/dbraw/zinc/90/44/77/384904477.db2.gz LAUOAJLNWWRPBD-CYBMUJFWSA-N 2 0 238.375 1.365 20 0 BDADRP O[C@@H](C[NH2+]C1CC2(CCC2)C1)C[NH+]1CCCC1 ZINC000448060423 384904507 /nfs/dbraw/zinc/90/45/07/384904507.db2.gz LAUOAJLNWWRPBD-ZDUSSCGKSA-N 2 0 238.375 1.365 20 0 BDADRP c1cncc([C@@H]2CC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)c1 ZINC000568512262 384907380 /nfs/dbraw/zinc/90/73/80/384907380.db2.gz RJMOLRKMHXJEOO-UKRRQHHQSA-N 2 0 245.370 1.871 20 0 BDADRP C[NH2+]CCCN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000257770774 384924789 /nfs/dbraw/zinc/92/47/89/384924789.db2.gz KVRUWGSAUCPBGC-AWEZNQCLSA-N 2 0 239.407 1.546 20 0 BDADRP C[NH2+]CCCN1CCC([NH+]2CCCC2)CC1 ZINC000257768992 384926047 /nfs/dbraw/zinc/92/60/47/384926047.db2.gz GZBIFDCTCISMAU-UHFFFAOYSA-N 2 0 225.380 1.156 20 0 BDADRP C[C@@H](O)C[NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000644522508 384927523 /nfs/dbraw/zinc/92/75/23/384927523.db2.gz JUUJXEJQHSKVIN-MELADBBJSA-N 2 0 242.407 1.715 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC12CC2)C1CC[NH+](C)CC1 ZINC000643907537 384930114 /nfs/dbraw/zinc/93/01/14/384930114.db2.gz RTTJJISXQQUVTG-CMPLNLGQSA-N 2 0 208.349 1.859 20 0 BDADRP CCC(CC)(C[NH3+])C(=O)Nc1cccc(C[NH3+])c1 ZINC000647607544 384934573 /nfs/dbraw/zinc/93/45/73/384934573.db2.gz VUWUBGMHFRVRJZ-UHFFFAOYSA-N 2 0 249.358 1.849 20 0 BDADRP C[NH+]1CCC(CC[NH2+][C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000258801012 384935444 /nfs/dbraw/zinc/93/54/44/384935444.db2.gz CECKVSZIMPOKOY-STQMWFEESA-N 3 0 225.380 1.188 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1NCC[NH+]1CCCCC1 ZINC000128241775 384938757 /nfs/dbraw/zinc/93/87/57/384938757.db2.gz YAPSHFDAYZPXIJ-KBPBESRZSA-N 2 0 239.407 1.402 20 0 BDADRP Cc1ccc(C[NH2+]C[C@H]2CNCCO2)c(C)c1 ZINC000258847261 384947477 /nfs/dbraw/zinc/94/74/77/384947477.db2.gz FOVRRIIUNCJLCE-CQSZACIVSA-N 2 0 234.343 1.381 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000087362984 384974631 /nfs/dbraw/zinc/97/46/31/384974631.db2.gz HHRAMLWQPCMAKD-GRYCIOLGSA-N 2 0 214.353 1.255 20 0 BDADRP CC(C)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177374086 384989938 /nfs/dbraw/zinc/98/99/38/384989938.db2.gz PGWRJCFDFDVJEE-UHFFFAOYSA-N 2 0 241.423 1.600 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C(C)C ZINC000309986451 385002370 /nfs/dbraw/zinc/00/23/70/385002370.db2.gz YMQWNUGIIBWUOT-JHJVBQTASA-N 2 0 228.380 1.730 20 0 BDADRP C[NH+]1CCC(CC[NH2+]Cc2cc[nH]c2)CC1 ZINC000086252919 385002360 /nfs/dbraw/zinc/00/23/60/385002360.db2.gz KYOWAEMXZNQFJW-UHFFFAOYSA-N 2 0 221.348 1.836 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccoc1 ZINC000130614003 385048476 /nfs/dbraw/zinc/04/84/76/385048476.db2.gz PUOVNZRSOXHBRH-NWDGAFQWSA-N 2 0 208.305 1.887 20 0 BDADRP Cc1ccncc1C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000404773912 385055904 /nfs/dbraw/zinc/05/59/04/385055904.db2.gz KLHKWFYLDOKEDV-VXGBXAGGSA-N 2 0 219.332 1.605 20 0 BDADRP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)c1ccncc1 ZINC000404768033 385056372 /nfs/dbraw/zinc/05/63/72/385056372.db2.gz HVOCNDVDBXUMRI-WCQGTBRESA-N 2 0 219.332 1.858 20 0 BDADRP C[C@H](F)CC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000340458292 385066005 /nfs/dbraw/zinc/06/60/05/385066005.db2.gz FRTKVSBCXGONLH-DCAQKATOSA-N 2 0 202.317 1.807 20 0 BDADRP c1cnc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000341879434 385113797 /nfs/dbraw/zinc/11/37/97/385113797.db2.gz UUGHODMPJPHRIA-TZMCWYRMSA-N 2 0 246.358 1.236 20 0 BDADRP CCCC[NH+]1CCC([NH2+][C@H](C)[C@@H](C)O)CC1 ZINC000564857896 385117663 /nfs/dbraw/zinc/11/76/63/385117663.db2.gz ZTNNJUFWJTYKMX-VXGBXAGGSA-N 2 0 228.380 1.610 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]C[C@H]1CCCCO1 ZINC000404879256 385120763 /nfs/dbraw/zinc/12/07/63/385120763.db2.gz YVXSEIUFXBWDFK-GMTAPVOTSA-N 2 0 212.337 1.271 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cncs1 ZINC000131428067 385085964 /nfs/dbraw/zinc/08/59/64/385085964.db2.gz SWDVSIKVSCQOBH-KOLCDFICSA-N 2 0 225.361 1.750 20 0 BDADRP COCCC[C@@H](C)[NH2+]CCC[NH+](C)C ZINC000178115335 385183138 /nfs/dbraw/zinc/18/31/38/385183138.db2.gz VJQAMKDYIUJGHI-LLVKDONJSA-N 2 0 202.342 1.343 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1COCC1(C)C ZINC000313026670 385196874 /nfs/dbraw/zinc/19/68/74/385196874.db2.gz IGENAJSBJGGYRY-CHWSQXEVSA-N 2 0 240.391 1.875 20 0 BDADRP CC[N@H+](C)CCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227540417 385159419 /nfs/dbraw/zinc/15/94/19/385159419.db2.gz WWZYGKBGEIAKAZ-KGLIPLIRSA-N 2 0 233.359 1.673 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@@]1(C)C[NH3+] ZINC000309187577 385200588 /nfs/dbraw/zinc/20/05/88/385200588.db2.gz HGOIYWYGXKYDFG-JHJVBQTASA-N 2 0 226.364 1.330 20 0 BDADRP CCCCOCC[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000404916710 385173760 /nfs/dbraw/zinc/17/37/60/385173760.db2.gz WOTPBDGGABEBAW-QWRGUYRKSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCOc1ccccc1 ZINC000252714058 385220621 /nfs/dbraw/zinc/22/06/21/385220621.db2.gz QXFSWXYKJWRIFG-UKRRQHHQSA-N 2 0 248.370 1.995 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1ccco1 ZINC000252713893 385222288 /nfs/dbraw/zinc/22/22/88/385222288.db2.gz QLHHBHRJUQJNRZ-WCQYABFASA-N 2 0 222.332 1.752 20 0 BDADRP [NH3+]C1(CC(=O)Nc2ccc3c(c2)C[NH2+]C3)CCC1 ZINC000647076304 385234218 /nfs/dbraw/zinc/23/42/18/385234218.db2.gz PKMNBKICWIICPQ-UHFFFAOYSA-N 2 0 245.326 1.500 20 0 BDADRP COc1c(C)cnc(CN2CCC[C@@H]2C[NH3+])c1C ZINC000019844462 385260191 /nfs/dbraw/zinc/26/01/91/385260191.db2.gz YCFCNGFXKMGSJO-GFCCVEGCSA-N 2 0 249.358 1.630 20 0 BDADRP C[NH+](C)CCCC[NH2+]C1CCSCC1 ZINC000045598326 385270161 /nfs/dbraw/zinc/27/01/61/385270161.db2.gz ATJDYMLRMCLNOA-UHFFFAOYSA-N 2 0 216.394 1.813 20 0 BDADRP CCOC(=O)CC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000158081418 385335434 /nfs/dbraw/zinc/33/54/34/385335434.db2.gz HTNYYIGEUYCTQX-GFCCVEGCSA-N 2 0 242.363 1.213 20 0 BDADRP C[C@H]([NH3+])C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000165113186 385351071 /nfs/dbraw/zinc/35/10/71/385351071.db2.gz UIDBOKOTWWIKAX-RYUDHWBXSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(N)nc2)C1 ZINC000647496548 385390388 /nfs/dbraw/zinc/39/03/88/385390388.db2.gz SXPLKBWGRFSJQX-JQWIXIFHSA-N 2 0 234.347 1.053 20 0 BDADRP C[C@@H]([NH2+]CCCC[NH+](C)C)[C@@H]1CCCO1 ZINC000309031283 385379444 /nfs/dbraw/zinc/37/94/44/385379444.db2.gz BTZLTQXNNAANBC-NEPJUHHUSA-N 2 0 214.353 1.485 20 0 BDADRP C[N@@H+]1C[C@H]2CCN(CC[NH+]3CCCCC3)[C@@H]2C1 ZINC000644736611 385387283 /nfs/dbraw/zinc/38/72/83/385387283.db2.gz OHVOVXHMZAVVEM-ZIAGYGMSSA-N 2 0 237.391 1.108 20 0 BDADRP C[N@H+]1CC=C(C[NH2+]C[C@H]2CCSC2)CC1 ZINC000308971375 385328265 /nfs/dbraw/zinc/32/82/65/385328265.db2.gz ZQMGTDKZMHVNDP-GFCCVEGCSA-N 2 0 226.389 1.591 20 0 BDADRP Cc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)ccn1 ZINC000405243528 385399817 /nfs/dbraw/zinc/39/98/17/385399817.db2.gz XSQRZJPHWLAKBN-NEPJUHHUSA-N 2 0 219.332 1.605 20 0 BDADRP CC[C@@H]1CN(C[C@@H]([NH3+])CC(C)C)CC[C@H]1[NH3+] ZINC000647497439 385410021 /nfs/dbraw/zinc/41/00/21/385410021.db2.gz HWVQLNOSIRCVIS-FRRDWIJNSA-N 2 0 227.396 1.419 20 0 BDADRP CC[C@H]1CN(Cc2n[nH]cc2C)CC[C@@H]1[NH3+] ZINC000647497503 385410689 /nfs/dbraw/zinc/41/06/89/385410689.db2.gz JOXNAOWBYQXPLZ-QWRGUYRKSA-N 2 0 222.336 1.277 20 0 BDADRP C[C@H]1CCCC[C@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000334430280 385421030 /nfs/dbraw/zinc/42/10/30/385421030.db2.gz VADFYAQFQWJMOF-QWHCGFSZSA-N 2 0 240.391 1.611 20 0 BDADRP CCC[NH+]1CCC([N@H+](C)C[C@H](C)OC)CC1 ZINC000182212423 385434538 /nfs/dbraw/zinc/43/45/38/385434538.db2.gz JRSNAEKYGNZJAQ-LBPRGKRZSA-N 2 0 228.380 1.828 20 0 BDADRP CCOCCC[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000405318847 385482598 /nfs/dbraw/zinc/48/25/98/385482598.db2.gz QHUCKOPRTRJETA-ZJUUUORDSA-N 2 0 200.326 1.128 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)[C@@H]2[NH2+]CC2(C)C)c1 ZINC000644097367 385462304 /nfs/dbraw/zinc/46/23/04/385462304.db2.gz GKCYKUQRYILTSQ-LBPRGKRZSA-N 2 0 247.342 1.343 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CCc1cccnc1 ZINC000309262581 385502531 /nfs/dbraw/zinc/50/25/31/385502531.db2.gz QNALLQNKXJGPKR-LBPRGKRZSA-N 2 0 221.348 1.731 20 0 BDADRP Nc1ncnc(N[C@@H]2CCC[C@H]([NH3+])C2)c1Cl ZINC000643030304 385525151 /nfs/dbraw/zinc/52/51/51/385525151.db2.gz LNOMBYXNIJNNTA-NKWVEPMBSA-N 2 0 241.726 1.394 20 0 BDADRP COC1(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)CCCC1 ZINC000319151420 385550594 /nfs/dbraw/zinc/55/05/94/385550594.db2.gz JMMJKBZBIRNEGJ-ZDUSSCGKSA-N 2 0 238.375 1.631 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCC[C@H](CO)C1 ZINC000336676847 385606558 /nfs/dbraw/zinc/60/65/58/385606558.db2.gz VQOCUUIBWFFESE-AGIUHOORSA-N 2 0 228.380 1.645 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC2CCOCC2)C1 ZINC000082645562 385627412 /nfs/dbraw/zinc/62/74/12/385627412.db2.gz HZUHCUBNNLRXTF-AAEUAGOBSA-N 2 0 226.364 1.472 20 0 BDADRP [NH3+]C1(C[NH2+]CC2CC[NH2+]CC2)CCCCC1 ZINC000414847970 385607685 /nfs/dbraw/zinc/60/76/85/385607685.db2.gz VMUUPPKVCRPUMN-UHFFFAOYSA-N 3 0 225.380 1.237 20 0 BDADRP CCC1(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)COC1 ZINC000393984398 385609397 /nfs/dbraw/zinc/60/93/97/385609397.db2.gz JBUHAJUAUVEQOK-VXGBXAGGSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+]CC[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000414848512 385609547 /nfs/dbraw/zinc/60/95/47/385609547.db2.gz XCKHBAXQKWJPKJ-MCIONIFRSA-N 3 0 239.407 1.354 20 0 BDADRP CCC[NH+]1CCC(NC[C@@H](C)C[NH2+]C)CC1 ZINC000414848080 385609641 /nfs/dbraw/zinc/60/96/41/385609641.db2.gz WRIQIZOKOABKED-LBPRGKRZSA-N 2 0 227.396 1.306 20 0 BDADRP CN(CCC[NH+]1CCCC1)Cc1ccn(C)c1 ZINC000281136954 385638184 /nfs/dbraw/zinc/63/81/84/385638184.db2.gz DLFKEKBUGDZLHC-UHFFFAOYSA-N 2 0 235.375 1.943 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H](O)CC(C)(C)C ZINC000336681981 385639243 /nfs/dbraw/zinc/63/92/43/385639243.db2.gz YIYHNGGKZSJSOL-RYUDHWBXSA-N 2 0 230.396 1.891 20 0 BDADRP CC(C)c1ccc([C@H]([NH3+])CN[C@@H]2CC[NH2+]C2)cc1 ZINC000414851333 385653077 /nfs/dbraw/zinc/65/30/77/385653077.db2.gz UBEGVIBWKDFRQI-HUUCEWRRSA-N 2 0 247.386 1.761 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCCCF ZINC000336684389 385671690 /nfs/dbraw/zinc/67/16/90/385671690.db2.gz JYCNMLCZLYNURH-QWRGUYRKSA-N 2 0 202.317 1.843 20 0 BDADRP CC[NH2+]CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000414854279 385691805 /nfs/dbraw/zinc/69/18/05/385691805.db2.gz ZBDGOGJFEBZEHQ-YNEHKIRRSA-N 2 0 225.380 1.106 20 0 BDADRP CCCCN(C)CC[NH2+]CC[C@H]1CCOC1 ZINC000336735312 385694104 /nfs/dbraw/zinc/69/41/04/385694104.db2.gz LQGFYDNOWMXEFR-ZDUSSCGKSA-N 2 0 228.380 1.735 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCCO1 ZINC000336687730 385705956 /nfs/dbraw/zinc/70/59/56/385705956.db2.gz GRXXTLVGJNRQSZ-SGMGOOAPSA-N 2 0 238.375 1.628 20 0 BDADRP CC(C)C[C@H](C[NH3+])N[C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000414856750 385716005 /nfs/dbraw/zinc/71/60/05/385716005.db2.gz ZKZAIVPVTYTYCX-RWMBFGLXSA-N 3 0 227.396 1.480 20 0 BDADRP C[NH2+]CCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000414857982 385730091 /nfs/dbraw/zinc/73/00/91/385730091.db2.gz GYWLIVGJJIWCIX-XQQFMLRXSA-N 2 0 225.380 1.106 20 0 BDADRP Fc1cccnc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647794155 385733474 /nfs/dbraw/zinc/73/34/74/385733474.db2.gz SEDCIVXFVBRMFH-IJLUTSLNSA-N 2 0 249.333 1.698 20 0 BDADRP CC[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000414859677 385735935 /nfs/dbraw/zinc/73/59/35/385735935.db2.gz URUPQHDWLJUKDD-MCIONIFRSA-N 2 0 239.407 1.306 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000414860714 385743711 /nfs/dbraw/zinc/74/37/11/385743711.db2.gz QIYZDKXSDGUWNR-TUAOUCFPSA-N 2 0 224.348 1.143 20 0 BDADRP CC[C@H]1C[C@@H](C[NH2+]CCC[NH2+]C)CCO1 ZINC000414861651 385752860 /nfs/dbraw/zinc/75/28/60/385752860.db2.gz SPXBEOQWERFWER-RYUDHWBXSA-N 2 0 214.353 1.391 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@](C)(CO)C(C)C ZINC000309670764 385784515 /nfs/dbraw/zinc/78/45/15/385784515.db2.gz VWMKGGMAQHICLG-CYBMUJFWSA-N 2 0 230.396 1.715 20 0 BDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H](C)C[NH3+] ZINC000414944799 385785430 /nfs/dbraw/zinc/78/54/30/385785430.db2.gz OUNVJDGSQYMXES-GRYCIOLGSA-N 2 0 213.369 1.234 20 0 BDADRP O=C(Nc1cccc2c1CC[NH2+]C2)[C@H]1CCC[NH2+]1 ZINC000647799688 385800906 /nfs/dbraw/zinc/80/09/06/385800906.db2.gz OAXMPMURROTVLK-CYBMUJFWSA-N 2 0 245.326 1.023 20 0 BDADRP COC[C@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000335570842 385806025 /nfs/dbraw/zinc/80/60/25/385806025.db2.gz VTNYHRZSSFXXBT-RYUDHWBXSA-N 2 0 212.337 1.049 20 0 BDADRP COC[C@]1(C[NH2+][C@H]2CC[C@@H](C)C2)CCC[NH2+]1 ZINC000414947985 385806717 /nfs/dbraw/zinc/80/67/17/385806717.db2.gz WIWVGQCLRHRCKK-FRRDWIJNSA-N 2 0 226.364 1.533 20 0 BDADRP Nc1ccc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000262536196 385856762 /nfs/dbraw/zinc/85/67/62/385856762.db2.gz BASIZRPMWXHPNI-IUCAKERBSA-N 2 0 234.303 1.120 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)C1C[NH2+]C1)CC(F)F ZINC000647800731 385808573 /nfs/dbraw/zinc/80/85/73/385808573.db2.gz JOGRKBWZJBKVSL-YUMQZZPRSA-N 2 0 206.280 1.475 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H](C)CC(F)F ZINC000647801583 385811973 /nfs/dbraw/zinc/81/19/73/385811973.db2.gz YRNQFLREZYXPHN-CIUDSAMLSA-N 2 0 208.296 1.993 20 0 BDADRP C[NH2+][C@H](C)CNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000261681368 385826667 /nfs/dbraw/zinc/82/66/67/385826667.db2.gz HOGBHBHQTYRSJS-NTZNESFSSA-N 2 0 249.358 1.047 20 0 BDADRP C[N@H+](C[C@@H](O)C[NH3+])CC1CCC(C)(C)CC1 ZINC000336738094 385828437 /nfs/dbraw/zinc/82/84/37/385828437.db2.gz JZEKECZWBLVJHG-LBPRGKRZSA-N 2 0 228.380 1.454 20 0 BDADRP CC[NH2+][C@H](C)CN[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000414954780 385829632 /nfs/dbraw/zinc/82/96/32/385829632.db2.gz KWAQZSLNWXVIPT-YNEHKIRRSA-N 2 0 227.396 1.304 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000414869145 385833391 /nfs/dbraw/zinc/83/33/91/385833391.db2.gz AEJYYZNWZNFCED-GFCCVEGCSA-N 2 0 248.370 1.739 20 0 BDADRP C[C@@H]1SCC[C@H]1[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000647804185 385840951 /nfs/dbraw/zinc/84/09/51/385840951.db2.gz KYEOWSKAYOUSOY-NOOOWODRSA-N 2 0 228.405 1.858 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCS[C@H]1C)C1C[NH2+]C1 ZINC000647804173 385841388 /nfs/dbraw/zinc/84/13/88/385841388.db2.gz KQJFBEXCNDLTOJ-OYNCUSHFSA-N 2 0 200.351 1.078 20 0 BDADRP CC(C)[C@H](O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000366630315 385855770 /nfs/dbraw/zinc/85/57/70/385855770.db2.gz QPNUOTUPCKJBOI-CHWSQXEVSA-N 2 0 228.380 1.419 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647797964 385791886 /nfs/dbraw/zinc/79/18/86/385791886.db2.gz ISMNQDGOTYWHBI-SYLRKERUSA-N 2 0 226.364 1.388 20 0 BDADRP COCCNCC[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000414867152 385793363 /nfs/dbraw/zinc/79/33/63/385793363.db2.gz BPUDJJYMXKEWEX-ITGUQSILSA-N 2 0 228.380 1.637 20 0 BDADRP CO[C@](C)(C[N@@H+]1CC[C@H](C[NH+](C)C)C1)C1CC1 ZINC000638076901 385795367 /nfs/dbraw/zinc/79/53/67/385795367.db2.gz OSNZQNAMEQRXJP-TZMCWYRMSA-N 2 0 240.391 1.685 20 0 BDADRP CC(C)[NH2+]CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647799196 385796659 /nfs/dbraw/zinc/79/66/59/385796659.db2.gz AIZDIJSYFWTCNP-MELADBBJSA-N 3 0 239.407 1.352 20 0 BDADRP Cc1noc([C@@H](C)N2CCC([C@@H](C)[NH3+])CC2)n1 ZINC000647832474 385883637 /nfs/dbraw/zinc/88/36/37/385883637.db2.gz KQTXERKGICJQIO-RKDXNWHRSA-N 2 0 238.335 1.498 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)cc1 ZINC000647840236 385888051 /nfs/dbraw/zinc/88/80/51/385888051.db2.gz WKXTZBWGDMVCJW-DXLKZPDWSA-N 2 0 245.326 1.395 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000414875164 385891543 /nfs/dbraw/zinc/89/15/43/385891543.db2.gz JJDUHJSWQVJXRC-SNVBAGLBSA-N 2 0 224.352 1.323 20 0 BDADRP COC[C@]1(C[NH2+][C@H](C)C2CCC2)CCC[NH2+]1 ZINC000414962406 385892513 /nfs/dbraw/zinc/89/25/13/385892513.db2.gz WBCDHRZYYSKBCY-DGCLKSJQSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H](CN)[N@H+](C)CCCC1CC[NH2+]CC1 ZINC000647843181 385893565 /nfs/dbraw/zinc/89/35/65/385893565.db2.gz BWOYIQOWKAQGFW-NSHDSACASA-N 2 0 213.369 1.045 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]C1CCC2(CCOCC2)CC1 ZINC000414875608 385895050 /nfs/dbraw/zinc/89/50/50/385895050.db2.gz KBERJIHZXKWGIK-GFCCVEGCSA-N 2 0 240.391 1.910 20 0 BDADRP CC[NH2+][C@H](C)CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000414962851 385896134 /nfs/dbraw/zinc/89/61/34/385896134.db2.gz SNMBDFCOBWSXHE-AAVRWANBSA-N 2 0 239.407 1.495 20 0 BDADRP CC[C@H]1C[C@@H](C[NH2+]CC2([NH3+])CCC2)CCO1 ZINC000414876172 385904726 /nfs/dbraw/zinc/90/47/26/385904726.db2.gz KWELMALXZXHYBZ-RYUDHWBXSA-N 2 0 226.364 1.663 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccnc1 ZINC000335039027 385930186 /nfs/dbraw/zinc/93/01/86/385930186.db2.gz KYGBZWYRAXWJQQ-DGCLKSJQSA-N 2 0 219.332 1.559 20 0 BDADRP C(C[N@H+](C1CC1)C1CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC000647815526 385867988 /nfs/dbraw/zinc/86/79/88/385867988.db2.gz XXMDDOGFONQHJA-LBPRGKRZSA-N 2 0 237.391 1.202 20 0 BDADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CC[C@H]1CCCO1 ZINC000250840549 385927877 /nfs/dbraw/zinc/92/78/77/385927877.db2.gz LUNUTPOMGLQPCF-CHWSQXEVSA-N 2 0 226.364 1.759 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)CCC(C)(C)[NH3+])C1 ZINC000647818359 385870553 /nfs/dbraw/zinc/87/05/53/385870553.db2.gz PVXIAIUCKHMVLY-QWRGUYRKSA-N 2 0 241.379 1.090 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)CCC(C)(C)[NH3+])C1 ZINC000647818358 385870710 /nfs/dbraw/zinc/87/07/10/385870710.db2.gz PVXIAIUCKHMVLY-MNOVXSKESA-N 2 0 241.379 1.090 20 0 BDADRP [NH3+]C[C@@H]1CCCCN1CCCC1CC[NH2+]CC1 ZINC000647827987 385876544 /nfs/dbraw/zinc/87/65/44/385876544.db2.gz UHSVUSKURAEOJG-AWEZNQCLSA-N 2 0 239.407 1.579 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@H]2CC[C@H](O)C2)CC1 ZINC000189316052 385975141 /nfs/dbraw/zinc/97/51/41/385975141.db2.gz CKDRTOWTSCMYMD-JSGCOSHPSA-N 2 0 240.391 1.611 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2O)[C@@H]2CCC[C@H]21 ZINC000414128211 385976928 /nfs/dbraw/zinc/97/69/28/385976928.db2.gz RUFCAFJZHJSFOI-ODXJTPSBSA-N 2 0 238.375 1.362 20 0 BDADRP [NH3+]C1(C[NH2+][C@H]2CCc3ccccc3OC2)CCC1 ZINC000335021088 385980498 /nfs/dbraw/zinc/98/04/98/385980498.db2.gz AYPMQPIRKNGXSH-ZDUSSCGKSA-N 2 0 246.354 1.851 20 0 BDADRP CO[C@H](C[N@H+](C)CCCn1ccnc1)C1CC1 ZINC000425413447 385980427 /nfs/dbraw/zinc/98/04/27/385980427.db2.gz BGFGNRQTNKSDGJ-CYBMUJFWSA-N 2 0 237.347 1.630 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCOCC3CC3)C[C@@H]21 ZINC000342088606 385936092 /nfs/dbraw/zinc/93/60/92/385936092.db2.gz ADRCXNCNJJPVPY-MELADBBJSA-N 2 0 238.375 1.472 20 0 BDADRP Cc1cnccc1CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000294991975 385938105 /nfs/dbraw/zinc/93/81/05/385938105.db2.gz YGKJKIJUQWVIPL-UONOGXRCSA-N 2 0 231.343 1.574 20 0 BDADRP CC[NH2+][C@H](C)CN[C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000414968968 385943690 /nfs/dbraw/zinc/94/36/90/385943690.db2.gz YUIWJQGILMCMCX-UTUOFQBUSA-N 2 0 213.369 1.105 20 0 BDADRP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)[C@H]1C[C@H]1C ZINC000414077930 385949030 /nfs/dbraw/zinc/94/90/30/385949030.db2.gz RNTWHPJMIYYEMC-XQHKEYJVSA-N 2 0 226.364 1.077 20 0 BDADRP CC[NH+](CC)CCC[N@H+](C)[C@H]1CCCC[C@@H]1O ZINC000338305382 385951046 /nfs/dbraw/zinc/95/10/46/385951046.db2.gz JWWZXQOLDMPPLV-KBPBESRZSA-N 2 0 242.407 1.954 20 0 BDADRP CC[NH+](CC)CCC[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000338305394 385952678 /nfs/dbraw/zinc/95/26/78/385952678.db2.gz JWWZXQOLDMPPLV-ZIAGYGMSSA-N 2 0 242.407 1.954 20 0 BDADRP CCc1cc(N2CCC[N@@H+](CC)CC2)nc(C)n1 ZINC000272938001 385952936 /nfs/dbraw/zinc/95/29/36/385952936.db2.gz WKTGGXYXUPYQHF-UHFFFAOYSA-N 2 0 248.374 1.879 20 0 BDADRP c1cc(C[NH2+][C@@H]2CCCOCC2)cc2c1C[NH2+]C2 ZINC000335057838 385958935 /nfs/dbraw/zinc/95/89/35/385958935.db2.gz DVMWJUKORDSTKL-OAHLLOKOSA-N 2 0 246.354 1.949 20 0 BDADRP [NH3+]CC1CCC([NH2+]CCC[C@@H]2CCC[NH2+]2)CC1 ZINC000414970454 385959547 /nfs/dbraw/zinc/95/95/47/385959547.db2.gz UTOQTZMBTPTGJT-MOKVOYLWSA-N 3 0 239.407 1.626 20 0 BDADRP CC[NH+](CC)CCCN1CC[N@H+](C)C[C@@H]1C ZINC000338317191 385965737 /nfs/dbraw/zinc/96/57/37/385965737.db2.gz MRCYLYGMPJATBH-ZDUSSCGKSA-N 2 0 227.396 1.354 20 0 BDADRP C1C[C@@H](N2CCC[C@@]3(CCSC3)C2)C[NH2+]1 ZINC000335012526 385968541 /nfs/dbraw/zinc/96/85/41/385968541.db2.gz ZHJUPVAJKNCJMB-VXGBXAGGSA-N 2 0 226.389 1.567 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CC1=CCCOC1 ZINC000335015765 385974089 /nfs/dbraw/zinc/97/40/89/385974089.db2.gz AEAIDKZZPYBWTL-STQMWFEESA-N 2 0 224.348 1.583 20 0 BDADRP COCC1(C[NH2+]CCCC[NH+](C)C)CCC1 ZINC000309297901 386004974 /nfs/dbraw/zinc/00/49/74/386004974.db2.gz SAWWIOAKKUAGOC-UHFFFAOYSA-N 2 0 228.380 1.735 20 0 BDADRP CC(C)CCC[C@@H](C)[NH2+]CCN1CC[NH2+]CC1 ZINC000414882428 386012720 /nfs/dbraw/zinc/01/27/20/386012720.db2.gz MMOCMKUCQCTBSM-CQSZACIVSA-N 2 0 241.423 1.696 20 0 BDADRP COC1(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)CCCC1 ZINC000309504239 386013354 /nfs/dbraw/zinc/01/33/54/386013354.db2.gz MOAJWTLPQBCLRA-NEPJUHHUSA-N 2 0 226.364 1.615 20 0 BDADRP CC1(C)[C@H]([NH2+]C2CCC(C[NH3+])CC2)C[C@@H]1O ZINC000335061649 386026995 /nfs/dbraw/zinc/02/69/95/386026995.db2.gz BXWKYIBYXWVPLQ-HCWSGVFWSA-N 2 0 226.364 1.253 20 0 BDADRP CC[C@H]([NH3+])CNCc1cnn(C(C)C)c1 ZINC000414977045 386029310 /nfs/dbraw/zinc/02/93/10/386029310.db2.gz JMNKNTKXQCALFM-NSHDSACASA-N 2 0 210.325 1.291 20 0 BDADRP CC[C@H]([NH3+])CNCc1c(C)cc(OC)nc1C ZINC000414976976 386030051 /nfs/dbraw/zinc/03/00/51/386030051.db2.gz IZULUAYZAXFETC-NSHDSACASA-N 2 0 237.347 1.534 20 0 BDADRP CO[C@H](C[N@H+](C)C[C@H]1CCC[NH+](C)C1)C1CC1 ZINC000425424215 386043053 /nfs/dbraw/zinc/04/30/53/386043053.db2.gz WADZOEZLBPWHNN-GXTWGEPZSA-N 2 0 240.391 1.685 20 0 BDADRP c1ccc(C[NH2+]CCC[C@H]2CCC[NH2+]2)nc1 ZINC000414979467 386045503 /nfs/dbraw/zinc/04/55/03/386045503.db2.gz VEMRTOSOZJCPHT-LBPRGKRZSA-N 2 0 219.332 1.703 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]C[C@@H](C)CC1CCOCC1 ZINC000414884243 386045585 /nfs/dbraw/zinc/04/55/85/386045585.db2.gz VXRPFNAZNVAERO-RYUDHWBXSA-N 2 0 228.380 1.624 20 0 BDADRP Cn1ncc2c1CCC[C@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000129054905 386046725 /nfs/dbraw/zinc/04/67/25/386046725.db2.gz HZRJNHJWUYWZDB-DGCLKSJQSA-N 2 0 248.374 1.529 20 0 BDADRP COC(=O)c1ccc(C[NH2+]C[C@H](C)C[NH3+])cc1 ZINC000414884793 386050002 /nfs/dbraw/zinc/05/00/02/386050002.db2.gz WGXVRYVOCNDXCX-SNVBAGLBSA-N 2 0 236.315 1.158 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCOC2)CC[N@@H+]1C ZINC000336728133 386051492 /nfs/dbraw/zinc/05/14/92/386051492.db2.gz CIUYYDMVPBTAFL-JHJVBQTASA-N 2 0 226.364 1.485 20 0 BDADRP CC(C)(C)[NH2+]CCN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000414664928 386109411 /nfs/dbraw/zinc/10/94/11/386109411.db2.gz DBACGNLZBITYMC-SDDRHHMPSA-N 2 0 225.380 1.044 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN(C)CC(C)(C)C[NH3+] ZINC000414666247 386110326 /nfs/dbraw/zinc/11/03/26/386110326.db2.gz WNNHDKVGEZDZQL-LLVKDONJSA-N 2 0 215.385 1.277 20 0 BDADRP C[NH2+][C@@H]1CCCN(C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414665593 386114314 /nfs/dbraw/zinc/11/43/14/386114314.db2.gz FCGIJGCIIJJKFN-FRRDWIJNSA-N 2 0 225.380 1.058 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC000414986861 386114915 /nfs/dbraw/zinc/11/49/15/386114915.db2.gz JQXDLIKDHKELNA-ZIAGYGMSSA-N 2 0 248.370 1.879 20 0 BDADRP Cc1cc(C[NH2+]CC2CC[NH+](C)CC2)nn1C ZINC000414324559 386120936 /nfs/dbraw/zinc/12/09/36/386120936.db2.gz IUGDYDAHNYZFFS-UHFFFAOYSA-N 2 0 236.363 1.160 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H](C)Cc1cccc(OC)n1 ZINC000414981011 386058985 /nfs/dbraw/zinc/05/89/85/386058985.db2.gz BCVTZORKSKMZOH-QWRGUYRKSA-N 2 0 237.347 1.348 20 0 BDADRP C[NH+](C)C1CC[NH+](CC2(O)CCCC2)CC1 ZINC000083587867 386059344 /nfs/dbraw/zinc/05/93/44/386059344.db2.gz GOXRMUYMUKWRDL-UHFFFAOYSA-N 2 0 226.364 1.318 20 0 BDADRP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)Cn1cccn1 ZINC000345224154 386070938 /nfs/dbraw/zinc/07/09/38/386070938.db2.gz CBUNPLWGCCFQOH-ZDUSSCGKSA-N 2 0 238.379 1.592 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414651755 386072632 /nfs/dbraw/zinc/07/26/32/386072632.db2.gz GDBKRLJNFOJCQL-RDBSUJKOSA-N 3 0 239.407 1.306 20 0 BDADRP CO[C@@H](C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1)C1CC1 ZINC000425449769 386083047 /nfs/dbraw/zinc/08/30/47/386083047.db2.gz TZWMMFVCSJFROB-UONOGXRCSA-N 2 0 238.375 1.439 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+][C@H]2CC[NH2+]CC2(C)C)CC[NH2+]1 ZINC000414983444 386085225 /nfs/dbraw/zinc/08/52/25/386085225.db2.gz ZQVHSSDJXAKEJU-AGIUHOORSA-N 3 0 239.407 1.352 20 0 BDADRP CCC[C@@H]1CNCC[N@@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414657332 386086276 /nfs/dbraw/zinc/08/62/76/386086276.db2.gz HQLPRJHTQKPQBF-MELADBBJSA-N 2 0 239.407 1.448 20 0 BDADRP CC(C)C[C@H]([NH3+])CN(C)CC[C@@H]([NH3+])C(C)C ZINC000414660125 386092215 /nfs/dbraw/zinc/09/22/15/386092215.db2.gz MGKNRFPSJYGNLX-QWHCGFSZSA-N 2 0 229.412 1.665 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000414663385 386096798 /nfs/dbraw/zinc/09/67/98/386096798.db2.gz RKNOUODISAHTCG-WOPDTQHZSA-N 2 0 213.369 1.029 20 0 BDADRP CCC[NH+]1CCC(NC[C@H]([NH3+])CC)CC1 ZINC000414985893 386097783 /nfs/dbraw/zinc/09/77/83/386097783.db2.gz IGLIPCRSUYBJLP-LLVKDONJSA-N 2 0 213.369 1.188 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000414662231 386098612 /nfs/dbraw/zinc/09/86/12/386098612.db2.gz QRKVHUGOXHQXJQ-AVGNSLFASA-N 2 0 227.396 1.419 20 0 BDADRP COC(=O)[C@@H]1CCC[N@@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414673870 386146107 /nfs/dbraw/zinc/14/61/07/386146107.db2.gz CZLBAFWGFWMELO-WOPDTQHZSA-N 2 0 240.347 1.012 20 0 BDADRP Cc1n[nH]cc1C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000335262700 386149269 /nfs/dbraw/zinc/14/92/69/386149269.db2.gz OXPXHFPDDHNEEC-BXKDBHETSA-N 2 0 222.336 1.135 20 0 BDADRP COc1ccc(CNC[C@@H]([NH3+])C2CC2)cc1O ZINC000414893387 386162455 /nfs/dbraw/zinc/16/24/55/386162455.db2.gz KGHFPXKZRFTBBG-LLVKDONJSA-N 2 0 236.315 1.228 20 0 BDADRP C[C@@H]1CCC[C@H]([NH2+]CCN2CC[NH2+]CC2)[C@@H]1C ZINC000414893936 386168401 /nfs/dbraw/zinc/16/84/01/386168401.db2.gz ZRGJJZAQGIWPHH-MCIONIFRSA-N 2 0 239.407 1.306 20 0 BDADRP COC1(CC[NH+]2CCC([NH+](C)C)CC2)CCC1 ZINC000338901030 386171645 /nfs/dbraw/zinc/17/16/45/386171645.db2.gz CRICZSYZPIXSGK-UHFFFAOYSA-N 2 0 240.391 1.972 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@H]1CCOC1 ZINC000414994720 386172539 /nfs/dbraw/zinc/17/25/39/386172539.db2.gz MMVZCMWXDMLQDS-OMXXWXSESA-N 2 0 238.375 1.519 20 0 BDADRP C[C@H](O)C[C@@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414692613 386181748 /nfs/dbraw/zinc/18/17/48/386181748.db2.gz CUVDJJIYGQDXOP-RQJABVFESA-N 2 0 240.391 1.610 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000414692227 386183238 /nfs/dbraw/zinc/18/32/38/386183238.db2.gz KLDMQOQYBSFLEH-OCCSQVGLSA-N 2 0 239.407 1.528 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000414699228 386203609 /nfs/dbraw/zinc/20/36/09/386203609.db2.gz JPDOJUCKPWKAMK-YNEHKIRRSA-N 2 0 225.380 1.044 20 0 BDADRP CS[C@@H]1CCCC[N@H+](CCC[NH3+])C1 ZINC000414699762 386203907 /nfs/dbraw/zinc/20/39/07/386203907.db2.gz FJMNTHFANUMNAJ-SNVBAGLBSA-N 2 0 202.367 1.553 20 0 BDADRP Cc1n[nH]cc1C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414897044 386209603 /nfs/dbraw/zinc/20/96/03/386209603.db2.gz CYKUMDYSXWMVEB-UHFFFAOYSA-N 2 0 222.336 1.197 20 0 BDADRP CCn1nccc1C[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000414999682 386211940 /nfs/dbraw/zinc/21/19/40/386211940.db2.gz SCEWHUVJFQOFLW-RYUDHWBXSA-N 2 0 236.363 1.510 20 0 BDADRP CC1(C)C[N@H+](CC2CC[NH2+]CC2)C(C)(C)CO1 ZINC000648406552 386221615 /nfs/dbraw/zinc/22/16/15/386221615.db2.gz RMMQQQGGOGASSE-UHFFFAOYSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H](CC1CCOCC1)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000347038900 386225742 /nfs/dbraw/zinc/22/57/42/386225742.db2.gz IYWPGSUJJUDAEK-GXTWGEPZSA-N 2 0 240.391 1.720 20 0 BDADRP Cc1cnccc1CC[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000339059597 386230318 /nfs/dbraw/zinc/23/03/18/386230318.db2.gz VRSFFHOKODCJQD-TZMCWYRMSA-N 2 0 233.359 1.472 20 0 BDADRP C[C@@H]1CN(C)C[C@H]1[NH2+]CCN1CCCCCC1 ZINC000343195061 386236940 /nfs/dbraw/zinc/23/69/40/386236940.db2.gz ZSBMVUMVIULPOX-ZIAGYGMSSA-N 2 0 239.407 1.402 20 0 BDADRP CN(CC[NH2+]C(C)(C)C)C[C@H]1CCC[N@H+](C)C1 ZINC000414717455 386238919 /nfs/dbraw/zinc/23/89/19/386238919.db2.gz ZLMMUZUVFGPIFE-ZDUSSCGKSA-N 2 0 241.423 1.648 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](CC[C@@H](C)O)C1 ZINC000336645519 386250679 /nfs/dbraw/zinc/25/06/79/386250679.db2.gz IBWQEJSMLWCNPN-NEPJUHHUSA-N 2 0 214.353 1.031 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000414997886 386197362 /nfs/dbraw/zinc/19/73/62/386197362.db2.gz ZYVKXENPHOAPCZ-QCNOEVLYSA-N 2 0 224.348 1.271 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000414997880 386197379 /nfs/dbraw/zinc/19/73/79/386197379.db2.gz ZYVKXENPHOAPCZ-IRCOFANPSA-N 2 0 224.348 1.271 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@](C)(C[NH3+])C2)CC[NH2+]1 ZINC000414729355 386280467 /nfs/dbraw/zinc/28/04/67/386280467.db2.gz DXVZOFREDYAVAZ-UPJWGTAASA-N 3 0 225.380 1.045 20 0 BDADRP C[C@@H](CC[NH3+])[NH2+]Cc1ccnn1-c1ccccc1 ZINC000414900599 386280574 /nfs/dbraw/zinc/28/05/74/386280574.db2.gz WDBAQAIYAZXEGS-LBPRGKRZSA-N 2 0 244.342 1.699 20 0 BDADRP C[C@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000336662282 386281876 /nfs/dbraw/zinc/28/18/76/386281876.db2.gz JBBYBZVPGOBKGE-AAEUAGOBSA-N 2 0 226.364 1.031 20 0 BDADRP [NH3+]CCCN1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000414729954 386282237 /nfs/dbraw/zinc/28/22/37/386282237.db2.gz FRWULKMLPACBQM-CYBMUJFWSA-N 2 0 237.322 1.121 20 0 BDADRP CC[NH2+]CC1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000347199354 386282485 /nfs/dbraw/zinc/28/24/85/386282485.db2.gz JEQIWHVTQPJIRR-AWEZNQCLSA-N 3 0 239.407 1.308 20 0 BDADRP CC(C)C[C@H]([NH2+]C(C)C)C(=O)NCC[NH+](C)C ZINC000347217258 386286394 /nfs/dbraw/zinc/28/63/94/386286394.db2.gz ZIYWPEPYOVPWJO-LBPRGKRZSA-N 2 0 243.395 1.077 20 0 BDADRP C[C@@H]1c2cccn2CC[N@H+]1CCc1cncn1C ZINC000289348900 386286672 /nfs/dbraw/zinc/28/66/72/386286672.db2.gz MTWOZVCLVPHKND-GFCCVEGCSA-N 2 0 244.342 1.841 20 0 BDADRP C([C@@H]1CC[NH2+]C1)[N@@H+]1CCCC2(CCOCC2)C1 ZINC000647885953 386292043 /nfs/dbraw/zinc/29/20/43/386292043.db2.gz SZGYRYAYGJLLAN-CYBMUJFWSA-N 2 0 238.375 1.489 20 0 BDADRP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000414734437 386298915 /nfs/dbraw/zinc/29/89/15/386298915.db2.gz DWGLUNKDVXNYLK-MCIONIFRSA-N 2 0 240.391 1.718 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)NC[C@]1(C)CCC[NH2+]C1 ZINC000414901565 386307607 /nfs/dbraw/zinc/30/76/07/386307607.db2.gz GEMXWHOYWSOVIQ-MGPQQGTHSA-N 2 0 239.407 1.496 20 0 BDADRP CC[NH+](CC)CC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000236842318 386318557 /nfs/dbraw/zinc/31/85/57/386318557.db2.gz PFDXRPNLWSMZLR-CYBMUJFWSA-N 2 0 249.358 1.144 20 0 BDADRP [NH3+]CCC[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000414740823 386322153 /nfs/dbraw/zinc/32/21/53/386322153.db2.gz KFHQCNVYPNCBDK-GFCCVEGCSA-N 2 0 212.337 1.084 20 0 BDADRP C[C@H](O)CC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000336653357 386269220 /nfs/dbraw/zinc/26/92/20/386269220.db2.gz YESKFSHIFRBIGX-RYUDHWBXSA-N 2 0 214.353 1.031 20 0 BDADRP Cc1nccn1CCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428039474 386271089 /nfs/dbraw/zinc/27/10/89/386271089.db2.gz FGLYGPVADCYIQD-KBPBESRZSA-N 2 0 248.374 1.265 20 0 BDADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CC[C@@H](C)O)C1 ZINC000336661824 386279448 /nfs/dbraw/zinc/27/94/48/386279448.db2.gz CGDXQDQZKPBSQT-OLZOCXBDSA-N 2 0 228.380 1.421 20 0 BDADRP CC[N@H+](CCCO)CC[C@H]1CCC[NH+]1C ZINC000336644640 386280082 /nfs/dbraw/zinc/28/00/82/386280082.db2.gz GVIUMDOEIVMXKN-GFCCVEGCSA-N 2 0 214.353 1.175 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cn2ccccc2n1 ZINC000415006824 386341164 /nfs/dbraw/zinc/34/11/64/386341164.db2.gz AMBRQUPPMCLSIL-GFCCVEGCSA-N 2 0 246.358 1.941 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CCN1CCC[C@@](F)(CO)C1 ZINC000347351528 386346804 /nfs/dbraw/zinc/34/68/04/386346804.db2.gz XJLNTRMMIDNNRT-OLZOCXBDSA-N 2 0 244.354 1.267 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@](C)(O)C2CC2)[C@@H](C)C1 ZINC000347308493 386350569 /nfs/dbraw/zinc/35/05/69/386350569.db2.gz BSBCAHQIWSUVSJ-FPMFFAJLSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCNC(C)(C)C2)CC[NH2+]1 ZINC000335270740 386355840 /nfs/dbraw/zinc/35/58/40/386355840.db2.gz RSSOVJCAQMEFSO-VXGBXAGGSA-N 2 0 225.380 1.058 20 0 BDADRP C[NH+](C)CCC1CC[NH+](CC2(C)COC2)CC1 ZINC000336689836 386356485 /nfs/dbraw/zinc/35/64/85/386356485.db2.gz HWBDQPIINYXHHE-UHFFFAOYSA-N 2 0 240.391 1.687 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@@H](C3CC3)C2)CC[NH2+]1 ZINC000414748042 386360346 /nfs/dbraw/zinc/36/03/46/386360346.db2.gz UBGTXONFJMMING-MBNYWOFBSA-N 2 0 238.375 1.485 20 0 BDADRP Cc1noc(C)c1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000092329365 386365751 /nfs/dbraw/zinc/36/57/51/386365751.db2.gz WBWRRLZIIKRHGT-AAEUAGOBSA-N 2 0 237.347 1.899 20 0 BDADRP Cc1cnc(C[N@H+](C)CCCn2ccnc2)cn1 ZINC000336694095 386368750 /nfs/dbraw/zinc/36/87/50/386368750.db2.gz DIBJGDIQAWBNPO-UHFFFAOYSA-N 2 0 245.330 1.504 20 0 BDADRP CC[C@H](C(=O)Nc1ccccc1C[NH2+]C)[NH+](C)C ZINC000637808267 386371926 /nfs/dbraw/zinc/37/19/26/386371926.db2.gz YWHHDSKVVMYOFW-CYBMUJFWSA-N 2 0 249.358 1.685 20 0 BDADRP C[NH+](C)C1CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC000347377561 386372574 /nfs/dbraw/zinc/37/25/74/386372574.db2.gz DARINCGXIXLGEQ-AWEZNQCLSA-N 2 0 240.391 1.972 20 0 BDADRP CO[C@]1(C)C[C@H]([N@H+](C)C[C@H]2CC[NH2+]C2)C1(C)C ZINC000647890707 386380952 /nfs/dbraw/zinc/38/09/52/386380952.db2.gz HVSCLYQPKLDMRQ-SGMGOOAPSA-N 2 0 240.391 1.731 20 0 BDADRP CO[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000336698621 386385482 /nfs/dbraw/zinc/38/54/82/386385482.db2.gz WVSBZASHWCNEOI-MELADBBJSA-N 2 0 240.391 1.970 20 0 BDADRP Cc1cccn2c(CN[C@@H](C)[C@H](C)[NH3+])cnc12 ZINC000415006633 386332562 /nfs/dbraw/zinc/33/25/62/386332562.db2.gz KTTHIVGJIRHNBN-QWRGUYRKSA-N 2 0 232.331 1.468 20 0 BDADRP CCOCC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000336684296 386332869 /nfs/dbraw/zinc/33/28/69/386332869.db2.gz DZJLXDYEPLOSNY-AWEZNQCLSA-N 2 0 240.391 1.687 20 0 BDADRP COc1cccc2c1CC[N@H+](CCC[NH3+])CC2 ZINC000414743153 386334476 /nfs/dbraw/zinc/33/44/76/386334476.db2.gz ODNZWZFPRLMHGF-UHFFFAOYSA-N 2 0 234.343 1.445 20 0 BDADRP Cc1cc(C)cc(C[N@H+](C)C[C@H](O)C[NH3+])c1 ZINC000336754343 386438271 /nfs/dbraw/zinc/43/82/71/386438271.db2.gz WXRBSVLPDCYWEB-CYBMUJFWSA-N 2 0 222.332 1.055 20 0 BDADRP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H]1CCOC1 ZINC000336718828 386442739 /nfs/dbraw/zinc/44/27/39/386442739.db2.gz XIGIDLCRUHVMAK-ZIAGYGMSSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@H](O)CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000336703717 386390461 /nfs/dbraw/zinc/39/04/61/386390461.db2.gz BQJAMSMSJSVKOC-KBPBESRZSA-N 2 0 240.391 1.565 20 0 BDADRP C[C@H](O)CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000336703722 386390531 /nfs/dbraw/zinc/39/05/31/386390531.db2.gz BQJAMSMSJSVKOC-UONOGXRCSA-N 2 0 240.391 1.565 20 0 BDADRP CC[C@](C)(CO)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000336704252 386393054 /nfs/dbraw/zinc/39/30/54/386393054.db2.gz PTAFEPPPCQQHOD-RWMBFGLXSA-N 2 0 226.364 1.364 20 0 BDADRP Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000647990748 386394589 /nfs/dbraw/zinc/39/45/89/386394589.db2.gz BTECKEBVLRDDJU-STQMWFEESA-N 2 0 248.374 1.773 20 0 BDADRP CCC[C@]1(CO)CCC[N@@H+]1C[C@@H]([NH3+])CC(C)C ZINC000414756516 386399659 /nfs/dbraw/zinc/39/96/59/386399659.db2.gz JXGDUYUMNZEIAX-UONOGXRCSA-N 2 0 242.407 1.987 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000093232461 386406119 /nfs/dbraw/zinc/40/61/19/386406119.db2.gz KHSCZBYSPAZYPZ-CQSZACIVSA-N 2 0 234.343 1.451 20 0 BDADRP COCC[C@H]1CCCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647991126 386409653 /nfs/dbraw/zinc/40/96/53/386409653.db2.gz AWJYLKWSHQQHQG-KGLIPLIRSA-N 2 0 240.391 1.735 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1C[C@@H](C)[NH2+]C[C@H]1C ZINC000414760162 386412980 /nfs/dbraw/zinc/41/29/80/386412980.db2.gz GLWHNIOBLBIJGR-UTUOFQBUSA-N 2 0 213.369 1.042 20 0 BDADRP C[C@H](O)CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000336708511 386417172 /nfs/dbraw/zinc/41/71/72/386417172.db2.gz IJIDWPRRDJAYOK-UONOGXRCSA-N 2 0 240.391 1.708 20 0 BDADRP C[C@H]1C[C@H]1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414762695 386425347 /nfs/dbraw/zinc/42/53/47/386425347.db2.gz AVURYEFEPRQIDM-RVMXOQNASA-N 2 0 208.349 1.574 20 0 BDADRP C[C@@H]1CCN(C[C@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000414774601 386470079 /nfs/dbraw/zinc/47/00/79/386470079.db2.gz YOQSTCXCVRSECF-AGIUHOORSA-N 2 0 225.380 1.045 20 0 BDADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC[C@@H](C)O)C1 ZINC000336732591 386470914 /nfs/dbraw/zinc/47/09/14/386470914.db2.gz ZTIQETXGFGDPML-KGLIPLIRSA-N 2 0 242.407 1.811 20 0 BDADRP C[C@@H]1C[C@H](CN2CC[C@H]3[NH2+]CC[C@H]3C2)CC[NH2+]1 ZINC000414775860 386475466 /nfs/dbraw/zinc/47/54/66/386475466.db2.gz WDSSGBXRWUARHV-YIYPIFLZSA-N 2 0 237.391 1.058 20 0 BDADRP CC(C)(C)C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415042519 386529215 /nfs/dbraw/zinc/52/92/15/386529215.db2.gz QPWNUKHBOUPOBG-SNVBAGLBSA-N 2 0 200.326 1.001 20 0 BDADRP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]CCC1CCCCCC1 ZINC000414778188 386486673 /nfs/dbraw/zinc/48/66/73/386486673.db2.gz DYCWTNKQZYLULR-UONOGXRCSA-N 2 0 240.391 1.517 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CC[NH2+]C(C)(C)C ZINC000415011696 386490156 /nfs/dbraw/zinc/49/01/56/386490156.db2.gz HXBKAUDKOSPGKQ-LLVKDONJSA-N 3 0 215.385 1.482 20 0 BDADRP C[C@@H]([NH2+]C[C@@H](C)CC1CCOCC1)[C@H](C)[NH3+] ZINC000415011816 386493453 /nfs/dbraw/zinc/49/34/53/386493453.db2.gz IGZYQLKXJOFOTO-SDDRHHMPSA-N 2 0 228.380 1.765 20 0 BDADRP CCC(CC)(CC)C[NH2+]CCN1CC[NH2+]CC1 ZINC000391249233 386495164 /nfs/dbraw/zinc/49/51/64/386495164.db2.gz YANIAIVAGLQMDD-UHFFFAOYSA-N 2 0 241.423 1.698 20 0 BDADRP Cc1ccc(F)cc1CN[C@H](C)[C@H](C)[NH3+] ZINC000415017692 386503744 /nfs/dbraw/zinc/50/37/44/386503744.db2.gz QKBRCYBPDWGHDN-VHSXEESVSA-N 2 0 210.296 1.959 20 0 BDADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)[C@@]1(C)CCCO1 ZINC000340366519 386505148 /nfs/dbraw/zinc/50/51/48/386505148.db2.gz PJPPKTBEBSSSSA-CHWSQXEVSA-N 2 0 244.379 1.112 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C[C@@]1(C)C[NH3+] ZINC000415050197 386505491 /nfs/dbraw/zinc/50/54/91/386505491.db2.gz FMRQNJCLQPWZLR-AAVRWANBSA-N 3 0 239.407 1.291 20 0 BDADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]CC[C@H]2CCOC2)CC1 ZINC000415020040 386509114 /nfs/dbraw/zinc/50/91/14/386509114.db2.gz FYWLCIDFTNASQF-IHRRRGAJSA-N 2 0 240.391 1.768 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000415025829 386513754 /nfs/dbraw/zinc/51/37/54/386513754.db2.gz RUKHCVDFEUYHLI-FDYHWXHSSA-N 2 0 238.375 1.661 20 0 BDADRP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415029790 386517371 /nfs/dbraw/zinc/51/73/71/386517371.db2.gz BOLVPACZDKSPKO-UPJWGTAASA-N 2 0 226.364 1.533 20 0 BDADRP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000415032517 386519037 /nfs/dbraw/zinc/51/90/37/386519037.db2.gz HMDRKUCFZVKHEH-FHUSYTEZSA-N 2 0 208.349 1.763 20 0 BDADRP COc1cc(C)nc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)c1 ZINC000415030719 386519467 /nfs/dbraw/zinc/51/94/67/386519467.db2.gz FYSGOMBXFJGSOP-RYUDHWBXSA-N 2 0 249.358 1.616 20 0 BDADRP CCOc1cccc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)n1 ZINC000415033148 386520937 /nfs/dbraw/zinc/52/09/37/386520937.db2.gz IQFWMXFNALLKJA-VXGBXAGGSA-N 2 0 249.358 1.697 20 0 BDADRP C[C@@H]1OCC[C@]1(C)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000336780164 386521375 /nfs/dbraw/zinc/52/13/75/386521375.db2.gz QPSFPMYUBBIAGJ-XQQFMLRXSA-N 2 0 226.364 1.628 20 0 BDADRP CC[C@@H]1C[C@@H](C[NH2+][C@@H]2CC[NH2+]C2(C)C)CCO1 ZINC000415037984 386523924 /nfs/dbraw/zinc/52/39/24/386523924.db2.gz LRDCIOADEIILRO-YNEHKIRRSA-N 2 0 240.391 1.922 20 0 BDADRP CCCC[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415035973 386524377 /nfs/dbraw/zinc/52/43/77/386524377.db2.gz JMDQVDROYMRDPJ-VXGBXAGGSA-N 2 0 214.353 1.533 20 0 BDADRP CCc1ccccc1[C@@H]([NH3+])CN[C@@H]1CCC[NH2+]C1 ZINC000415044218 386530434 /nfs/dbraw/zinc/53/04/34/386530434.db2.gz BLLZTOIJQRQPJO-HIFRSBDPSA-N 2 0 247.386 1.590 20 0 BDADRP CC[N@H+](C)C[C@@H]1CCN(c2ccccn2)C1 ZINC000267294158 386524620 /nfs/dbraw/zinc/52/46/20/386524620.db2.gz YSOVNQWCRMSDAD-LBPRGKRZSA-N 2 0 219.332 1.860 20 0 BDADRP CC(C)(C)[NH2+]CCN[C@@H]1CC[NH2+]C1(C)C ZINC000415038954 386526990 /nfs/dbraw/zinc/52/69/90/386526990.db2.gz MPEBYWWSBSYDFQ-SNVBAGLBSA-N 2 0 213.369 1.105 20 0 BDADRP COC[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156093473 386527689 /nfs/dbraw/zinc/52/76/89/386527689.db2.gz USLBHJZIYQYGLI-IJLUTSLNSA-N 2 0 214.353 1.341 20 0 BDADRP C[C@H]1CCN(Cc2cnc(N)s2)[C@@H](C[NH3+])C1 ZINC000414770661 386453137 /nfs/dbraw/zinc/45/31/37/386453137.db2.gz PIRMJAWHZLLPMA-DTWKUNHWSA-N 2 0 240.376 1.115 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)CC[NH2+]1 ZINC000414770130 386455363 /nfs/dbraw/zinc/45/53/63/386455363.db2.gz XTROPQCYCOZFIP-HZSPNIEDSA-N 3 0 237.391 1.060 20 0 BDADRP C(C[C@H]1CCC[NH2+]1)[NH2+]CC[C@H]1CCOC1 ZINC000414911574 386456394 /nfs/dbraw/zinc/45/63/94/386456394.db2.gz WNPDJUHNQOCWDC-NWDGAFQWSA-N 2 0 212.337 1.145 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)CC[NH2+]1 ZINC000414770139 386456667 /nfs/dbraw/zinc/45/66/67/386456667.db2.gz XTROPQCYCOZFIP-RDBSUJKOSA-N 3 0 237.391 1.060 20 0 BDADRP C([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@@H]1CCCOC1 ZINC000415010411 386465493 /nfs/dbraw/zinc/46/54/93/386465493.db2.gz PBFJTFJMZFAZKN-FPMFFAJLSA-N 2 0 238.375 1.391 20 0 BDADRP CC[NH+](CC)CCCN1CCC[C@@H]([NH3+])C1 ZINC000070584509 386574980 /nfs/dbraw/zinc/57/49/80/386574980.db2.gz CWSBDBLCGFEEFQ-GFCCVEGCSA-N 2 0 213.369 1.141 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CNC[C@]1(C)CC[NH2+]C1 ZINC000415074297 386574975 /nfs/dbraw/zinc/57/49/75/386574975.db2.gz CGCOERKZDCZCHT-ZIAGYGMSSA-N 2 0 239.407 1.450 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@H]1NC1CC[NH+](C2CC2)CC1 ZINC000335412832 386577401 /nfs/dbraw/zinc/57/74/01/386577401.db2.gz NFRWELBJHANRSA-BXUZGUMPSA-N 2 0 237.391 1.153 20 0 BDADRP COCCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978046 386577701 /nfs/dbraw/zinc/57/77/01/386577701.db2.gz LPLCNSTZSUGYPR-KBPBESRZSA-N 2 0 240.391 1.735 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977612 386578204 /nfs/dbraw/zinc/57/82/04/386578204.db2.gz FEVXJIIRLGZDJT-ZIAGYGMSSA-N 3 0 239.407 1.308 20 0 BDADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)C1CCC1 ZINC000414797192 386578205 /nfs/dbraw/zinc/57/82/05/386578205.db2.gz OSVNGAHKBPWOPG-LBPRGKRZSA-N 2 0 225.380 1.060 20 0 BDADRP Cc1ccc(F)c(CNCC(C)(C)[NH3+])c1 ZINC000414798074 386581480 /nfs/dbraw/zinc/58/14/80/386581480.db2.gz DMFUYPYAMPWHTI-UHFFFAOYSA-N 2 0 210.296 1.961 20 0 BDADRP CC(C)(C)[NH2+]CCN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000414799206 386590208 /nfs/dbraw/zinc/59/02/08/386590208.db2.gz JWVOKGOUXNSTJD-NEPJUHHUSA-N 2 0 227.396 1.482 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000414799957 386594649 /nfs/dbraw/zinc/59/46/49/386594649.db2.gz KKSNVLIYXOSRMM-MQYQWHSLSA-N 3 0 239.407 1.624 20 0 BDADRP Cc1ccc(CN(CC[NH3+])CCO)cc1Cl ZINC000414917262 386531336 /nfs/dbraw/zinc/53/13/36/386531336.db2.gz VQZIRBKTWBHLCR-UHFFFAOYSA-N 2 0 242.750 1.401 20 0 BDADRP CC(C)n1cc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cn1 ZINC000415045001 386531444 /nfs/dbraw/zinc/53/14/44/386531444.db2.gz SWRGQXRSDHUPPI-WCQYABFASA-N 2 0 236.363 1.681 20 0 BDADRP c1ccc2c(c1)CCC([NH2+]CC1C[NH2+]C1)CC2 ZINC000335459736 386541004 /nfs/dbraw/zinc/54/10/04/386541004.db2.gz CXRBZWGPWXOBKU-UHFFFAOYSA-N 2 0 230.355 1.743 20 0 BDADRP Cc1nn(C)cc1CN[C@@H](C[NH3+])C(C)(C)C ZINC000415058373 386541215 /nfs/dbraw/zinc/54/12/15/386541215.db2.gz VRLJGZXNNQEBMD-NSHDSACASA-N 2 0 224.352 1.192 20 0 BDADRP [NH3+]CCC[C@H](N[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000415060677 386542621 /nfs/dbraw/zinc/54/26/21/386542621.db2.gz XHGGWWUEYKAFBE-KBPBESRZSA-N 3 0 233.359 1.418 20 0 BDADRP C([C@@H]1CC[NH2+]C1)[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000647995245 386545823 /nfs/dbraw/zinc/54/58/23/386545823.db2.gz IZWXZKPPCASQOD-MCIONIFRSA-N 2 0 238.375 1.487 20 0 BDADRP C[NH+]1CCC(N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000415070854 386557047 /nfs/dbraw/zinc/55/70/47/386557047.db2.gz VRDPNMUBSIGKLZ-ZDUSSCGKSA-N 2 0 225.380 1.188 20 0 BDADRP COC[C@H](CC(C)C)[NH2+]CCC[NH2+]C1CC1 ZINC000415072532 386562786 /nfs/dbraw/zinc/56/27/86/386562786.db2.gz WMQURSBURURFAZ-ZDUSSCGKSA-N 2 0 228.380 1.779 20 0 BDADRP CCc1ccccc1[C@@H]([NH3+])CNC1CC[NH2+]CC1 ZINC000415072394 386562890 /nfs/dbraw/zinc/56/28/90/386562890.db2.gz YCLWRYSNRBWVAS-HNNXBMFYSA-N 2 0 247.386 1.590 20 0 BDADRP C[NH2+]CCCN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647902715 386563416 /nfs/dbraw/zinc/56/34/16/386563416.db2.gz BKSSPYVLHJXTKO-OLZOCXBDSA-N 3 0 225.380 1.060 20 0 BDADRP CCC(CC)[C@@H](O)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000415074841 386566309 /nfs/dbraw/zinc/56/63/09/386566309.db2.gz AWXDZTMCJVUXNG-UBHUBRDASA-N 2 0 242.407 1.891 20 0 BDADRP CC[N@@H+]1CCCC[C@H]1CNCC[NH2+]C(C)(C)C ZINC000415075421 386569552 /nfs/dbraw/zinc/56/95/52/386569552.db2.gz FGPZWQIGKXGACU-ZDUSSCGKSA-N 2 0 241.423 1.839 20 0 BDADRP CC(C)C[C@H]([NH3+])C[N@H+](CC1CCC1)[C@H](C)CO ZINC000415110834 386621553 /nfs/dbraw/zinc/62/15/53/386621553.db2.gz SXPCFTFCQJBNTO-OCCSQVGLSA-N 2 0 242.407 1.843 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)C1CCOCC1 ZINC000335497932 386622955 /nfs/dbraw/zinc/62/29/55/386622955.db2.gz AZYAWOANITWPRQ-YPMHNXCESA-N 2 0 226.364 1.533 20 0 BDADRP CC[N@@H+]1CC[C@@H](NCC([NH3+])(CC)CC)[C@@H](C)C1 ZINC000414808909 386625643 /nfs/dbraw/zinc/62/56/43/386625643.db2.gz LJRWINHYWPHTCZ-QWHCGFSZSA-N 2 0 241.423 1.824 20 0 BDADRP C[C@H]1CCN(CC[NH2+]C(C)(C)C)C[C@H]1C[NH3+] ZINC000415123692 386626655 /nfs/dbraw/zinc/62/66/55/386626655.db2.gz JNICLFZBRFNGNZ-NWDGAFQWSA-N 2 0 227.396 1.291 20 0 BDADRP C[C@H]1C[C@@H](C[NH2+]Cc2cccnc2)CC[NH2+]1 ZINC000415106597 386627633 /nfs/dbraw/zinc/62/76/33/386627633.db2.gz MXDIDRNYSCKLCJ-RYUDHWBXSA-N 2 0 219.332 1.559 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC[NH2+]1 ZINC000414811858 386628524 /nfs/dbraw/zinc/62/85/24/386628524.db2.gz WTYJSZJKDJRABW-AAVRWANBSA-N 3 0 239.407 1.482 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](O)CC1 ZINC000339779886 386628957 /nfs/dbraw/zinc/62/89/57/386628957.db2.gz MPQQZDVBIHETGP-CYBMUJFWSA-N 2 0 228.380 1.565 20 0 BDADRP CC[C@H]1C[C@H](C[NH2+]CC(C)(C)[NH3+])CCO1 ZINC000414810507 386631428 /nfs/dbraw/zinc/63/14/28/386631428.db2.gz XDNRMOAOIGAHRG-MNOVXSKESA-N 2 0 214.353 1.519 20 0 BDADRP CCCC[C@H](CN)[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414814569 386647506 /nfs/dbraw/zinc/64/75/06/386647506.db2.gz OBQWLINHRMOBQT-RWMBFGLXSA-N 2 0 227.396 1.482 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000414816396 386647767 /nfs/dbraw/zinc/64/77/67/386647767.db2.gz PSYHABNFTCJIFZ-YNEHKIRRSA-N 2 0 227.396 1.624 20 0 BDADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCO[C@H]2C)cc1 ZINC000414815573 386650303 /nfs/dbraw/zinc/65/03/03/386650303.db2.gz XQKJDJWAFYMYGN-COPLHBTASA-N 2 0 234.343 1.973 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+]C[C@@H]([NH3+])CC(C)C ZINC000415087316 386606837 /nfs/dbraw/zinc/60/68/37/386606837.db2.gz SSKSESSZZWLDSH-QWHCGFSZSA-N 2 0 230.396 1.747 20 0 BDADRP C([NH2+][C@@H]1CCC12CCC2)[C@@H]1C[NH2+]CCCO1 ZINC000335489392 386607923 /nfs/dbraw/zinc/60/79/23/386607923.db2.gz VLJHLKIBNXEJSO-NWDGAFQWSA-N 2 0 224.348 1.287 20 0 BDADRP C[C@H]1CC[C@H](C[NH2+]C2CCC(C[NH3+])CC2)O1 ZINC000415096238 386614909 /nfs/dbraw/zinc/61/49/09/386614909.db2.gz PNBBXAUGGAABOQ-YWPUVAFDSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@H]1C[C@@H](C[N@@H+]2C[C@@H]3C[C@H]2CS3)CC[NH2+]1 ZINC000415108994 386615590 /nfs/dbraw/zinc/61/55/90/386615590.db2.gz LLTUIYZNMKWGTI-BJDJZHNGSA-N 2 0 226.389 1.564 20 0 BDADRP C[C@@H]([NH3+])c1ccc(CN[C@@H]2CC[NH2+]C2)cc1 ZINC000414807365 386617215 /nfs/dbraw/zinc/61/72/15/386617215.db2.gz CSHDRVSFLJGOHW-ZWNOBZJWSA-N 3 0 219.332 1.158 20 0 BDADRP C[C@H]([NH3+])CCN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000414820865 386673736 /nfs/dbraw/zinc/67/37/36/386673736.db2.gz KBSUFSJYZIVWKI-AEGPPILISA-N 2 0 247.386 1.807 20 0 BDADRP C[N@H+](CCOCC[NH3+])CCc1ccc(F)cc1 ZINC000357079020 386710381 /nfs/dbraw/zinc/71/03/81/386710381.db2.gz CHMHVHDQEBANCY-UHFFFAOYSA-N 2 0 240.322 1.275 20 0 BDADRP CC1(C)CCC[NH2+][C@@H]1CNC[C@H]1CCC[NH2+]C1 ZINC000414927232 386684468 /nfs/dbraw/zinc/68/44/68/386684468.db2.gz LUGDRSAQGCRCRZ-QWHCGFSZSA-N 2 0 239.407 1.354 20 0 BDADRP CC[N@H+](C[C@@H]1CCCO1)C[C@@H]1CCC[NH2+]C1 ZINC000042471338 386686525 /nfs/dbraw/zinc/68/65/25/386686525.db2.gz LEQPRSXEEDVMLO-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+]CC[C@H]2CC[NH2+]C2)CCO1 ZINC000414826610 386688456 /nfs/dbraw/zinc/68/84/56/386688456.db2.gz FUGPCZSGIRZGBZ-MGPQQGTHSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@H](C[NH3+])N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000414926992 386689393 /nfs/dbraw/zinc/68/93/93/386689393.db2.gz KODUQBAEAAICHC-VNHYZAJKSA-N 2 0 247.386 1.759 20 0 BDADRP C[N@H+](CCOCC[NH3+])Cc1cc2ccccc2o1 ZINC000357074691 386711956 /nfs/dbraw/zinc/71/19/56/386711956.db2.gz NCXXHCLXUQPCLR-UHFFFAOYSA-N 2 0 248.326 1.840 20 0 BDADRP COCc1cccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)c1 ZINC000414828634 386696974 /nfs/dbraw/zinc/69/69/74/386696974.db2.gz JCTMHIHUIPFJDB-ZDUSSCGKSA-N 2 0 248.370 1.922 20 0 BDADRP C[C@@H]([NH3+])CC[NH2+]C[C@H](C)CC1CCOCC1 ZINC000414828061 386699621 /nfs/dbraw/zinc/69/96/21/386699621.db2.gz YVHZTWHDUFOMIK-VXGBXAGGSA-N 2 0 228.380 1.766 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000414832243 386716655 /nfs/dbraw/zinc/71/66/55/386716655.db2.gz FEMNKDLDPNNREA-UMSGYPCISA-N 2 0 238.375 1.389 20 0 BDADRP CCCC[C@@H](COC)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414832701 386720311 /nfs/dbraw/zinc/72/03/11/386720311.db2.gz OPKCKHVCGMDRLX-OLZOCXBDSA-N 2 0 228.380 1.781 20 0 BDADRP c1cnn([C@H]2CCCC[C@H]2[NH2+]C2CC[NH2+]CC2)c1 ZINC000335541662 386723232 /nfs/dbraw/zinc/72/32/32/386723232.db2.gz DRHMKCWRGCAQIP-KGLIPLIRSA-N 2 0 248.374 1.708 20 0 BDADRP Cn1ccc(C[N@@H+]2CCCC[C@H]2CC[NH3+])cc1=O ZINC000647964947 386749282 /nfs/dbraw/zinc/74/92/82/386749282.db2.gz QOEIGAUKYYASED-ZDUSSCGKSA-N 2 0 249.358 1.089 20 0 BDADRP COC1CCC([NH2+]C[C@@H]2CCC[NH2+]2)CC1 ZINC000414841203 386752217 /nfs/dbraw/zinc/75/22/17/386752217.db2.gz HLFMYQCHRMZILL-CXQJBGSLSA-N 2 0 212.337 1.286 20 0 BDADRP Cc1cn[nH]c1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000352860968 386769628 /nfs/dbraw/zinc/76/96/28/386769628.db2.gz DEZPEFLYHVOKRT-UHFFFAOYSA-N 2 0 248.374 1.682 20 0 BDADRP CC(C)OCCCN1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000430576943 386755569 /nfs/dbraw/zinc/75/55/69/386755569.db2.gz SZYSHFFGVBQZJU-CHWSQXEVSA-N 2 0 228.380 1.861 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+]C1Cc2ccccc2C1 ZINC000414841389 386755551 /nfs/dbraw/zinc/75/55/51/386755551.db2.gz NVDLEEYWPRJWBF-NSHDSACASA-N 2 0 218.344 1.599 20 0 BDADRP C(C[C@@H]1CCOC1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414839248 386742004 /nfs/dbraw/zinc/74/20/04/386742004.db2.gz MBZVJUFUSRAOLL-CHWSQXEVSA-N 2 0 226.364 1.392 20 0 BDADRP CC(C)[C@](C)(CO)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000336667554 386789807 /nfs/dbraw/zinc/78/98/07/386789807.db2.gz MGKHNVYJFNDRBA-STQMWFEESA-N 2 0 228.380 1.467 20 0 BDADRP COCC(C)(C)C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414844401 386773005 /nfs/dbraw/zinc/77/30/05/386773005.db2.gz RCXPJVHEMPVFJO-LBPRGKRZSA-N 2 0 228.380 1.638 20 0 BDADRP Cc1ccc2ncc(C[NH2+]C[C@@H](O)C3CC3)n2c1 ZINC000269326899 386778181 /nfs/dbraw/zinc/77/81/81/386778181.db2.gz AEDZMQKRVHDNGI-CYBMUJFWSA-N 2 0 245.326 1.503 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)CC1CCOCC1 ZINC000414844977 386786729 /nfs/dbraw/zinc/78/67/29/386786729.db2.gz RZTYCMHGNOIUOJ-RYUDHWBXSA-N 2 0 228.380 1.637 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCCCCO)CN1C1CC1 ZINC000192906932 386789373 /nfs/dbraw/zinc/78/93/73/386789373.db2.gz ZZJKICWLZVDBEZ-NEPJUHHUSA-N 2 0 226.364 1.364 20 0 BDADRP CC[C@H]1C[C@H](C[NH2+]C2(C)CC[NH2+]CC2)CCO1 ZINC000414936112 386823249 /nfs/dbraw/zinc/82/32/49/386823249.db2.gz GOPQDPZPZPODIV-OLZOCXBDSA-N 2 0 240.391 1.923 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCCCO)[C@H](C)C1 ZINC000192935129 386803030 /nfs/dbraw/zinc/80/30/30/386803030.db2.gz NCFYUCDKFQUMNX-CHWSQXEVSA-N 2 0 228.380 1.469 20 0 BDADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000417845544 386804525 /nfs/dbraw/zinc/80/45/25/386804525.db2.gz RZPAKIABZLGOTN-DRZSPHRISA-N 2 0 247.342 1.025 20 0 BDADRP C[C@@H](CCCC[NH3+])NC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000417858232 386805233 /nfs/dbraw/zinc/80/52/33/386805233.db2.gz UWAKKMFHLQMCNF-GRYCIOLGSA-N 2 0 241.379 1.008 20 0 BDADRP Nc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1(C[NH3+])CC1 ZINC000414936475 386831282 /nfs/dbraw/zinc/83/12/82/386831282.db2.gz UXZDZDMTKHNFBZ-AWEZNQCLSA-N 2 0 245.370 1.975 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCCC[NH+](C)C)[C@H](C)O1 ZINC000395077009 386844836 /nfs/dbraw/zinc/84/48/36/386844836.db2.gz UKBGYVYPIYUVGQ-WOPDTQHZSA-N 2 0 214.353 1.484 20 0 BDADRP Cc1ncccc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000334845197 386892174 /nfs/dbraw/zinc/89/21/74/386892174.db2.gz JOFPFTFREVLZSF-OLZOCXBDSA-N 2 0 219.332 1.750 20 0 BDADRP C[C@@H](C[NH3+])N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000414942723 386893716 /nfs/dbraw/zinc/89/37/16/386893716.db2.gz KODUQBAEAAICHC-KCQAQPDRSA-N 2 0 247.386 1.759 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1NCC[NH2+]C1CCCCCC1 ZINC000331534399 386866924 /nfs/dbraw/zinc/86/69/24/386866924.db2.gz PVMCACHSJVIAPP-UONOGXRCSA-N 2 0 239.407 1.768 20 0 BDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@@H](C)C[NH3+])C1 ZINC000414942721 386894655 /nfs/dbraw/zinc/89/46/55/386894655.db2.gz KODUQBAEAAICHC-GUTXKFCHSA-N 2 0 247.386 1.759 20 0 BDADRP C[NH+]1CCC(NCC2([NH3+])CCCCCC2)CC1 ZINC000334836256 386879272 /nfs/dbraw/zinc/87/92/72/386879272.db2.gz DOZKMOQHKJDLGP-UHFFFAOYSA-N 2 0 239.407 1.722 20 0 BDADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000331668052 386882460 /nfs/dbraw/zinc/88/24/60/386882460.db2.gz RHQDHYQKSSQBTN-XQHKEYJVSA-N 3 0 225.380 1.363 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000334853581 386904145 /nfs/dbraw/zinc/90/41/45/386904145.db2.gz DTBQVMNIYBOVLG-ZWNOBZJWSA-N 2 0 244.342 1.651 20 0 BDADRP COc1cccc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000414943412 386906222 /nfs/dbraw/zinc/90/62/22/386906222.db2.gz FNTGPAICDCROJN-YPMHNXCESA-N 2 0 234.343 1.925 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc2c1NCC2 ZINC000334858355 386910706 /nfs/dbraw/zinc/91/07/06/386910706.db2.gz RVARNAHTQDOLSX-BXUZGUMPSA-N 2 0 245.370 1.742 20 0 BDADRP CC(C)[C@](C)(CO)[NH2+]CCC[NH+]1CCCCC1 ZINC000352893251 386927546 /nfs/dbraw/zinc/92/75/46/386927546.db2.gz OKOBIDDYQQCEGW-AWEZNQCLSA-N 2 0 242.407 1.859 20 0 BDADRP c1ccc2c(c1)CC([NH2+]C[C@@H]1C[NH2+]CCCO1)C2 ZINC000334875553 386937081 /nfs/dbraw/zinc/93/70/81/386937081.db2.gz VCCUXRHLNZVXLR-HNNXBMFYSA-N 2 0 246.354 1.122 20 0 BDADRP Cc1cc(N[C@H]2CCC[N@H+](C)[C@@H]2C)cc[nH+]1 ZINC000336745732 387007408 /nfs/dbraw/zinc/00/74/08/387007408.db2.gz QWEVWPKSGOUKLH-YPMHNXCESA-N 2 0 219.332 1.707 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H]2SC)C1 ZINC000425363733 386972628 /nfs/dbraw/zinc/97/26/28/386972628.db2.gz XTVCDTNMNPLTEN-IJLUTSLNSA-N 2 0 228.405 1.812 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000332432681 386978569 /nfs/dbraw/zinc/97/85/69/386978569.db2.gz VOEHPQZEWPUVMT-AAVRWANBSA-N 2 0 239.407 1.480 20 0 BDADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000341871437 386979347 /nfs/dbraw/zinc/97/93/47/386979347.db2.gz FVFATLZXXZTDAN-RFQIPJPRSA-N 2 0 240.391 1.874 20 0 BDADRP CC(C)[NH+](CCC[NH2+][C@@H](C)CC(N)=O)C(C)C ZINC000341984983 387008041 /nfs/dbraw/zinc/00/80/41/387008041.db2.gz YNJVEUSIGYNLMA-LBPRGKRZSA-N 2 0 243.395 1.349 20 0 BDADRP Cc1cnccc1NC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000334821299 386950442 /nfs/dbraw/zinc/95/04/42/386950442.db2.gz MJWSECCXRXSZPX-WDEREUQCSA-N 2 0 248.330 1.061 20 0 BDADRP CC1(C)CN(CC[NH3+])CC[C@H]1C(F)(F)F ZINC000334967691 387051250 /nfs/dbraw/zinc/05/12/50/387051250.db2.gz JBSXJPQRAFHWCL-MRVPVSSYSA-N 2 0 224.270 1.856 20 0 BDADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)C1(C(N)=O)CCCC1 ZINC000333710361 387051785 /nfs/dbraw/zinc/05/17/85/387051785.db2.gz SFYPUUOLQLFMNO-NSHDSACASA-N 2 0 239.363 1.766 20 0 BDADRP CC(C)[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000334969149 387052796 /nfs/dbraw/zinc/05/27/96/387052796.db2.gz OUXALMQDADGQPY-QWHCGFSZSA-N 2 0 226.364 1.613 20 0 BDADRP CC(C)([NH3+])CCC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000648108637 387059385 /nfs/dbraw/zinc/05/93/85/387059385.db2.gz ILIQQOFUVDMCSO-CYBMUJFWSA-N 2 0 241.379 1.010 20 0 BDADRP CS[C@@H]1CC[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000425366086 387024197 /nfs/dbraw/zinc/02/41/97/387024197.db2.gz ZGNJGQNOOGRSRC-VXGBXAGGSA-N 2 0 228.405 1.812 20 0 BDADRP C(C[N@H+]1C[C@H]2CC[C@@H](C1)O2)C1CC[NH2+]CC1 ZINC000085540536 387069110 /nfs/dbraw/zinc/06/91/10/387069110.db2.gz FOBRRZZDXZFERZ-BETUJISGSA-N 2 0 224.348 1.239 20 0 BDADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCC3CC[NH2+]CC3)C[C@H]12 ZINC000359223267 387070864 /nfs/dbraw/zinc/07/08/64/387070864.db2.gz QYZVIOFNJCBZQR-MELADBBJSA-N 3 0 237.391 1.045 20 0 BDADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCc1cccnc1 ZINC000111380888 387077905 /nfs/dbraw/zinc/07/79/05/387077905.db2.gz ONRBDRUNBOBSPW-AWEZNQCLSA-N 2 0 233.359 1.827 20 0 BDADRP CCCC[C@H](COC)[NH2+]CC1C[NH2+]C1 ZINC000423299141 387130558 /nfs/dbraw/zinc/13/05/58/387130558.db2.gz BMVFOGUQSTYYFZ-LLVKDONJSA-N 2 0 200.326 1.001 20 0 BDADRP CC[C@@H](C(=O)NCCC[NH+](CC)CC)[NH+](C)C ZINC000359362357 387090593 /nfs/dbraw/zinc/09/05/93/387090593.db2.gz KDEGNQBSRYTOKC-LBPRGKRZSA-N 2 0 243.395 1.175 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]C1CC(F)(F)C1 ZINC000335008202 387102171 /nfs/dbraw/zinc/10/21/71/387102171.db2.gz IIRNXYNUYZDRLZ-SCZZXKLOSA-N 2 0 218.291 1.891 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCS2)CC[N@@H+]1C ZINC000247190938 387131791 /nfs/dbraw/zinc/13/17/91/387131791.db2.gz UKZGSURRWGIAJM-GRYCIOLGSA-N 2 0 228.405 1.954 20 0 BDADRP C[N@H+](C[C@H]1CCCOC1)[C@H]1CCC[NH2+]CC1 ZINC000250454860 387124944 /nfs/dbraw/zinc/12/49/44/387124944.db2.gz WFWLODQYNNXXKN-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@H]([NH3+])c1ccc(C(=O)N2CCC[C@@H]([NH3+])C2)cc1 ZINC000335031410 387127383 /nfs/dbraw/zinc/12/73/83/387127383.db2.gz UGEQFBBNXLXJEB-GXFFZTMASA-N 2 0 247.342 1.270 20 0 BDADRP CC[C@@H]([NH2+]C[C@H](C)C[NH3+])C1(C(=O)OC)CCC1 ZINC000423299562 387129517 /nfs/dbraw/zinc/12/95/17/387129517.db2.gz BWRRIARKUKGBNB-GHMZBOCLSA-N 2 0 242.363 1.293 20 0 BDADRP c1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)no1 ZINC000334980289 387067755 /nfs/dbraw/zinc/06/77/55/387067755.db2.gz MBPJUUKJQFVGAP-VXGBXAGGSA-N 2 0 235.331 1.496 20 0 BDADRP Cc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)on1 ZINC000334980888 387067981 /nfs/dbraw/zinc/06/79/81/387067981.db2.gz QCLYUTPIYHIILU-OLZOCXBDSA-N 2 0 249.358 1.805 20 0 BDADRP CC[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000334981538 387068513 /nfs/dbraw/zinc/06/85/13/387068513.db2.gz RMGLNTYCFYALBV-VXGBXAGGSA-N 2 0 226.364 1.472 20 0 BDADRP CC(C)O[C@H]1C[C@@H]([NH2+]CC2C[NH2+]C2)C1(C)C ZINC000423306160 387142118 /nfs/dbraw/zinc/14/21/18/387142118.db2.gz SFURGYDZYVDAGX-NEPJUHHUSA-N 2 0 226.364 1.388 20 0 BDADRP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@H](C)C[NH3+] ZINC000423307194 387143974 /nfs/dbraw/zinc/14/39/74/387143974.db2.gz MWGKRMUKJHAUCD-VXGBXAGGSA-N 2 0 224.352 1.092 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H]2C2CC2)CC[NH2+]1 ZINC000423374082 387192427 /nfs/dbraw/zinc/19/24/27/387192427.db2.gz HQFFHRKZUINGCO-XEZLXBQYSA-N 2 0 208.349 1.905 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000423310574 387146443 /nfs/dbraw/zinc/14/64/43/387146443.db2.gz SAOSUZOAAIEFGC-KKOKHZNYSA-N 2 0 226.364 1.374 20 0 BDADRP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423310953 387149331 /nfs/dbraw/zinc/14/93/31/387149331.db2.gz AZXLSPHWCFMOLL-YNEHKIRRSA-N 2 0 226.364 1.519 20 0 BDADRP CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@@H]([NH3+])C2CC2)C1(C)C ZINC000423313317 387151794 /nfs/dbraw/zinc/15/17/94/387151794.db2.gz FLZCVFVXQQKQTM-JHJVBQTASA-N 2 0 240.391 1.905 20 0 BDADRP CCC[NH2+]CC[NH2+][C@@H](C)C1CCOCC1 ZINC000423314883 387154910 /nfs/dbraw/zinc/15/49/10/387154910.db2.gz WSDQBFNZHXWGOE-NSHDSACASA-N 2 0 214.353 1.391 20 0 BDADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH3+])cc1 ZINC000423314373 387155134 /nfs/dbraw/zinc/15/51/34/387155134.db2.gz YKBGVGUHMKRDSN-WDEREUQCSA-N 2 0 249.358 1.890 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423316417 387155883 /nfs/dbraw/zinc/15/58/83/387155883.db2.gz ASNIIYUOODJBSP-LBPRGKRZSA-N 3 0 227.396 1.483 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)C1CCSCC1 ZINC000423330173 387175165 /nfs/dbraw/zinc/17/51/65/387175165.db2.gz UAHZEZAGADNFQS-BXKDBHETSA-N 2 0 228.405 1.845 20 0 BDADRP Cc1ccncc1[C@H](C)[NH2+]CC1=CC[NH2+]CC1 ZINC000423333342 387179423 /nfs/dbraw/zinc/17/94/23/387179423.db2.gz FEDRKUCKXGCABO-LBPRGKRZSA-N 2 0 231.343 1.960 20 0 BDADRP C[C@@H]1C[C@H](NC[C@]2(C)CCC[NH2+]C2)CC[N@@H+]1C ZINC000423335893 387182985 /nfs/dbraw/zinc/18/29/85/387182985.db2.gz SIAGTIOZCLHHGI-MGPQQGTHSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2=CC[NH2+]CC2)[C@@H](C)O1 ZINC000423340004 387188289 /nfs/dbraw/zinc/18/82/89/387188289.db2.gz BTNNHBZUJAWFRE-FOGDFJRCSA-N 2 0 210.321 1.062 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423341750 387191058 /nfs/dbraw/zinc/19/10/58/387191058.db2.gz MUUSXMWUHDPBOG-CHWSQXEVSA-N 3 0 227.396 1.483 20 0 BDADRP Cc1ccccc1C[C@H](C)[NH2+]CC1C[NH2+]C1 ZINC000423300392 387133309 /nfs/dbraw/zinc/13/33/09/387133309.db2.gz DOJXTLBVJMEOTO-LBPRGKRZSA-N 2 0 218.344 1.735 20 0 BDADRP C[C@H](C[NH3+])CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423302030 387134806 /nfs/dbraw/zinc/13/48/06/387134806.db2.gz GQHDCXNIPFKKDR-OASPWFOLSA-N 2 0 219.332 1.316 20 0 BDADRP C[C@@H](c1ccccc1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088287712 387137974 /nfs/dbraw/zinc/13/79/74/387137974.db2.gz IKADZZUFCZJQOE-FPMFFAJLSA-N 2 0 216.328 1.899 20 0 BDADRP C[C@H](C[NH3+])CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423304113 387138215 /nfs/dbraw/zinc/13/82/15/387138215.db2.gz JXJYTCVCKOJLET-AAVRWANBSA-N 2 0 239.407 1.482 20 0 BDADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1CCC[NH2+]C1 ZINC000423306233 387141055 /nfs/dbraw/zinc/14/10/55/387141055.db2.gz SSCGBXDQFOZERN-SNPRPXQTSA-N 2 0 247.386 1.287 20 0 BDADRP CC[C@H](NCC1=CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000423351988 387202448 /nfs/dbraw/zinc/20/24/48/387202448.db2.gz JIZHSPZOMWZKJY-STQMWFEESA-N 2 0 223.364 1.026 20 0 BDADRP C[C@@H](NCC1=CC[NH2+]CC1)[C@@H]1CCCC[NH2+]1 ZINC000423357021 387208634 /nfs/dbraw/zinc/20/86/34/387208634.db2.gz RRBPXCMVZSBHDW-YPMHNXCESA-N 2 0 223.364 1.026 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423425480 387252850 /nfs/dbraw/zinc/25/28/50/387252850.db2.gz GUSFZPZFMTXWLU-UTUOFQBUSA-N 3 0 213.369 1.234 20 0 BDADRP C[C@H]1C[C@H](NCC[C@H]2CCC[NH2+]2)C[N@@H+]1C1CC1 ZINC000423364706 387215062 /nfs/dbraw/zinc/21/50/62/387215062.db2.gz OXYMJFOMSTUPDF-XQQFMLRXSA-N 2 0 237.391 1.343 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+][C@H]1CCC[C@H]1COCC ZINC000423367733 387219417 /nfs/dbraw/zinc/21/94/17/387219417.db2.gz ALXFQKJLEMABRS-AGIUHOORSA-N 2 0 228.380 1.779 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423367791 387220142 /nfs/dbraw/zinc/22/01/42/387220142.db2.gz RKPKLHJBXHHITC-AAVRWANBSA-N 2 0 239.407 1.447 20 0 BDADRP C[NH+](C)CCOCC[NH2+]Cc1ccccc1F ZINC000230004792 387225566 /nfs/dbraw/zinc/22/55/66/387225566.db2.gz NBNYGRHHVFKNHN-UHFFFAOYSA-N 2 0 240.322 1.494 20 0 BDADRP CC[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)OC ZINC000353554857 387228644 /nfs/dbraw/zinc/22/86/44/387228644.db2.gz APYQYAXNBGEDPW-SYQHCUMBSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@]1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[NH2+]C1 ZINC000423325936 387229328 /nfs/dbraw/zinc/22/93/28/387229328.db2.gz CGJHGRZPALVUCC-QNMSZWNNSA-N 2 0 237.391 1.249 20 0 BDADRP CC(C)(O)C(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000393673908 387231806 /nfs/dbraw/zinc/23/18/06/387231806.db2.gz SCJOQYHKMRJNOF-VXGBXAGGSA-N 2 0 242.407 1.891 20 0 BDADRP COC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)C(C)C ZINC000423403574 387241257 /nfs/dbraw/zinc/24/12/57/387241257.db2.gz YOZMGIPTIBMQMM-SRVKXCTJSA-N 2 0 214.353 1.388 20 0 BDADRP COC[C@@]1(C[NH2+][C@H]2CCC23CCC3)CCC[NH2+]1 ZINC000423408451 387243700 /nfs/dbraw/zinc/24/37/00/387243700.db2.gz AKJQXTXKVVIYQO-JSGCOSHPSA-N 2 0 238.375 1.677 20 0 BDADRP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000423413608 387246780 /nfs/dbraw/zinc/24/67/80/387246780.db2.gz LAQSPKCJXJOSFS-FRRDWIJNSA-N 2 0 226.364 1.533 20 0 BDADRP COC[C@]1(C[NH2+][C@H](C)[C@@H]2CC2(C)C)CCC[NH2+]1 ZINC000423414000 387246817 /nfs/dbraw/zinc/24/68/17/387246817.db2.gz LVEKMQZXEPERPQ-MBNYWOFBSA-N 2 0 240.391 1.779 20 0 BDADRP COCCC[C@H](C)[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000423419189 387249262 /nfs/dbraw/zinc/24/92/62/387249262.db2.gz IILIUMWRRROLMX-QWHCGFSZSA-N 2 0 244.379 1.160 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])[C@@H]1CCC[NH2+]1 ZINC000423425479 387252137 /nfs/dbraw/zinc/25/21/37/387252137.db2.gz GUSFZPZFMTXWLU-TUAOUCFPSA-N 3 0 213.369 1.234 20 0 BDADRP CC[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)[C@@H]1CCOC1 ZINC000423344846 387195447 /nfs/dbraw/zinc/19/54/47/387195447.db2.gz YJEOUFFQSKKICF-HZSPNIEDSA-N 2 0 240.391 1.781 20 0 BDADRP COc1cccc([C@@H](C)[NH2+]C[C@H]2CC[NH2+]C2)c1 ZINC000423348453 387200979 /nfs/dbraw/zinc/20/09/79/387200979.db2.gz TVTWDFQATNVVMR-NEPJUHHUSA-N 2 0 234.343 1.955 20 0 BDADRP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]([NH3+])CC ZINC000423462165 387310147 /nfs/dbraw/zinc/31/01/47/387310147.db2.gz KNDYISUNLRDYCG-SDDRHHMPSA-N 2 0 214.353 1.519 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000423466290 387314114 /nfs/dbraw/zinc/31/41/14/387314114.db2.gz NIKRTBWCKBOCSP-RFQIPJPRSA-N 2 0 240.391 1.909 20 0 BDADRP CC[C@@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)C(C)C ZINC000423428384 387254643 /nfs/dbraw/zinc/25/46/43/387254643.db2.gz ONWVXPVXISZBMT-CHWSQXEVSA-N 2 0 228.380 1.779 20 0 BDADRP C[C@H](CCCC[NH3+])N[C@@H]1C[NH2+]CCC1(F)F ZINC000423469559 387316991 /nfs/dbraw/zinc/31/69/91/387316991.db2.gz COMHRGBVGLERHU-NXEZZACHSA-N 2 0 235.322 1.091 20 0 BDADRP C[C@@H](CCCC[NH3+])N[C@H]1C[NH2+]CCC1(F)F ZINC000423469560 387317262 /nfs/dbraw/zinc/31/72/62/387317262.db2.gz COMHRGBVGLERHU-UWVGGRQHSA-N 2 0 235.322 1.091 20 0 BDADRP C[C@H](CC1CCOCC1)[NH2+]CC1CC[NH2+]CC1 ZINC000643497627 387267639 /nfs/dbraw/zinc/26/76/39/387267639.db2.gz JKMSOLNGZPPBFI-GFCCVEGCSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@H](Cc1ccoc1)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000423385385 387268046 /nfs/dbraw/zinc/26/80/46/387268046.db2.gz QWGOVWQWFPHOHE-WZRBSPASSA-N 2 0 222.332 1.941 20 0 BDADRP C[C@@H]1CN(C)C[C@H]1[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423470433 387317482 /nfs/dbraw/zinc/31/74/82/387317482.db2.gz DKCPGXRPVSYXJR-JHJVBQTASA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)[C@H]1CCC[NH2+]1 ZINC000423387444 387270394 /nfs/dbraw/zinc/27/03/94/387270394.db2.gz MURRADBSURACRK-IAQYHMDHSA-N 2 0 245.370 1.520 20 0 BDADRP CC[NH2+][C@H](C)CN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000423386522 387271368 /nfs/dbraw/zinc/27/13/68/387271368.db2.gz LJIYLQHIWWZYCJ-GRYCIOLGSA-N 2 0 213.369 1.092 20 0 BDADRP COC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)C1CCCC1 ZINC000423386503 387272399 /nfs/dbraw/zinc/27/23/99/387272399.db2.gz SAGLCSGRKJQSJA-YUTCNCBUSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCC[NH2+][C@@H]1C ZINC000423390694 387276818 /nfs/dbraw/zinc/27/68/18/387276818.db2.gz KEMNOLPVDIFXGG-POQQGIQPSA-N 2 0 239.407 1.445 20 0 BDADRP CC[C@H](N[C@@H]1CC[NH2+]C[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423394653 387281029 /nfs/dbraw/zinc/28/10/29/387281029.db2.gz MVXCRJPCTDMTPG-XQHKEYJVSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2CC[NH2+]C[C@H]2C)C[N@@H+]1C1CC1 ZINC000423395169 387281350 /nfs/dbraw/zinc/28/13/50/387281350.db2.gz NGAGPHVSSLNMBN-NMKXLXIOSA-N 2 0 237.391 1.199 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000423431501 387283334 /nfs/dbraw/zinc/28/33/34/387283334.db2.gz LPSLLVQNPSAYGV-YIYPIFLZSA-N 3 0 241.423 1.822 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccn(C)n1 ZINC000423431984 387284479 /nfs/dbraw/zinc/28/44/79/387284479.db2.gz MDJIQJRULOKEFP-RYUDHWBXSA-N 2 0 238.379 1.978 20 0 BDADRP CC(C)O[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])C1(C)C ZINC000423437673 387287891 /nfs/dbraw/zinc/28/78/91/387287891.db2.gz GLDSZZQKZLKIFZ-WISYIIOYSA-N 2 0 228.380 1.904 20 0 BDADRP Cc1n[nH]cc1C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000352526384 387288122 /nfs/dbraw/zinc/28/81/22/387288122.db2.gz NBUUGZRFMAPANS-LBPRGKRZSA-N 2 0 222.336 1.421 20 0 BDADRP CC[NH+](CC)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000088397291 387296488 /nfs/dbraw/zinc/29/64/88/387296488.db2.gz IDAXCKORJAHJIM-KBPBESRZSA-N 2 0 236.359 1.259 20 0 BDADRP COC[C@@]1(C[NH2+][C@H](C)C2CC2)CCC[NH2+]1 ZINC000423447554 387297106 /nfs/dbraw/zinc/29/71/06/387297106.db2.gz ZWNODUMLMCYHAG-PWSUYJOCSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423447943 387297585 /nfs/dbraw/zinc/29/75/85/387297585.db2.gz PJEAZODMLHPDBM-KIJLLGNVSA-N 2 0 238.375 1.659 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000423455583 387304882 /nfs/dbraw/zinc/30/48/82/387304882.db2.gz MQTIUKDALPWDGA-AAVRWANBSA-N 3 0 239.407 1.576 20 0 BDADRP CCC[NH+]1CCC(C[NH2+]Cc2cnccn2)CC1 ZINC000514918596 387308726 /nfs/dbraw/zinc/30/87/26/387308726.db2.gz BKYZNTAGCUMXPQ-UHFFFAOYSA-N 2 0 248.374 1.688 20 0 BDADRP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1cccc(CO)c1 ZINC000423527083 387356744 /nfs/dbraw/zinc/35/67/44/387356744.db2.gz MCBXFEVECNECHT-GFCCVEGCSA-N 2 0 248.370 1.972 20 0 BDADRP C[C@H](Cc1ccoc1)[NH2+]CCC[NH2+]C1CC1 ZINC000423542038 387365880 /nfs/dbraw/zinc/36/58/80/387365880.db2.gz ANMCHJASFURGRE-LLVKDONJSA-N 2 0 222.332 1.942 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423543253 387367650 /nfs/dbraw/zinc/36/76/50/387367650.db2.gz UUEIKJRBAIWIIV-JQWIXIFHSA-N 2 0 210.321 1.063 20 0 BDADRP CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CCC[NH2+]C2CC2)C1(C)C ZINC000423549167 387370863 /nfs/dbraw/zinc/37/08/63/387370863.db2.gz HMRSLQAHAVHUQQ-CYZMBNFOSA-N 2 0 240.391 1.778 20 0 BDADRP COCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423551011 387373984 /nfs/dbraw/zinc/37/39/84/387373984.db2.gz JDAHFUIBMBTYSY-BFHYXJOUSA-N 2 0 240.391 1.923 20 0 BDADRP COCC[C@H]1CCC[C@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000423570051 387379214 /nfs/dbraw/zinc/37/92/14/387379214.db2.gz WSNAXNLHEDEXMT-TZMCWYRMSA-N 2 0 240.391 1.923 20 0 BDADRP CC[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)[C@@H]1CCOC1 ZINC000423474811 387321218 /nfs/dbraw/zinc/32/12/18/387321218.db2.gz HNKPSIADOKTYIT-RDBSUJKOSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC[C@H]2CCC[NH2+]2)[C@@H](C)O1 ZINC000423474842 387322813 /nfs/dbraw/zinc/32/28/13/387322813.db2.gz HSIUHSIHLBLBQG-LPWJVIDDSA-N 2 0 226.364 1.674 20 0 BDADRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cnccc1N ZINC000423482639 387329478 /nfs/dbraw/zinc/32/94/78/387329478.db2.gz PLRREBRRNCRBGJ-VXGBXAGGSA-N 2 0 248.374 1.677 20 0 BDADRP CC(C)[C@H](Cn1cccn1)[NH2+][C@@H](C)[C@@H](C)[NH3+] ZINC000423482990 387329817 /nfs/dbraw/zinc/32/98/17/387329817.db2.gz XQTKPCMEISEPDF-WOPDTQHZSA-N 2 0 224.352 1.233 20 0 BDADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000354088220 387329969 /nfs/dbraw/zinc/32/99/69/387329969.db2.gz MMDZGDXMMYMUMQ-CQSZACIVSA-N 2 0 240.391 1.829 20 0 BDADRP CCN1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])C2)C1 ZINC000423485663 387330521 /nfs/dbraw/zinc/33/05/21/387330521.db2.gz BBXRHCYWUSOAOR-ZDEQEGDKSA-N 2 0 225.380 1.044 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)C1CCC1 ZINC000423486262 387331262 /nfs/dbraw/zinc/33/12/62/387331262.db2.gz BTOBNOSZDNOLTM-STQMWFEESA-N 2 0 226.364 1.533 20 0 BDADRP CCn1cc([C@H](C)[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cn1 ZINC000423486124 387331410 /nfs/dbraw/zinc/33/14/10/387331410.db2.gz BNPKNDIFTWQSOT-DMDPSCGWSA-N 2 0 236.363 1.681 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]([NH3+])CC)C12CCC2 ZINC000423484561 387331955 /nfs/dbraw/zinc/33/19/55/387331955.db2.gz YOMPYIVYWZRSSJ-SDDRHHMPSA-N 2 0 226.364 1.661 20 0 BDADRP CC(C)C1CC([NH2+]C[C@H]2C[NH2+]CCCO2)C1 ZINC000423485155 387332266 /nfs/dbraw/zinc/33/22/66/387332266.db2.gz ANTWZLQUSCRUDS-WXRRBKDZSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])C2)CN1C1CC1 ZINC000423486701 387334344 /nfs/dbraw/zinc/33/43/44/387334344.db2.gz BXHJQDJUXRYZAQ-VOAKCMCISA-N 2 0 237.391 1.329 20 0 BDADRP CCC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)C1CCC1 ZINC000423492199 387335457 /nfs/dbraw/zinc/33/54/57/387335457.db2.gz MBCYADYBKQODTP-UONOGXRCSA-N 2 0 240.391 1.923 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1cnn(C)c1 ZINC000423491820 387336532 /nfs/dbraw/zinc/33/65/32/387336532.db2.gz KLHXIISJAQPDCN-RTXFEEFZSA-N 2 0 236.363 1.588 20 0 BDADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C1 ZINC000423492545 387337124 /nfs/dbraw/zinc/33/71/24/387337124.db2.gz NODGROTYBCBVJY-XJFOESAGSA-N 2 0 240.391 1.779 20 0 BDADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000336514522 387339716 /nfs/dbraw/zinc/33/97/16/387339716.db2.gz XNJQCYYDLLTLML-OLZOCXBDSA-N 2 0 226.364 1.582 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)C1CC1 ZINC000423498174 387340035 /nfs/dbraw/zinc/34/00/35/387340035.db2.gz BOTCXPBROAAOHJ-NEPJUHHUSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@H](CN)C1CCCC1 ZINC000423503918 387342798 /nfs/dbraw/zinc/34/27/98/387342798.db2.gz NEXAQOPJXUJNOO-WCQYABFASA-N 2 0 227.396 1.611 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)C(C)C ZINC000423504538 387343448 /nfs/dbraw/zinc/34/34/48/387343448.db2.gz GDPMVKKQOPPGMH-RYUDHWBXSA-N 2 0 214.353 1.389 20 0 BDADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@H](C[NH3+])C2CCCC2)C1 ZINC000423506818 387345456 /nfs/dbraw/zinc/34/54/56/387345456.db2.gz PMSZOCGDTYHYOM-IACUBPJLSA-N 2 0 239.407 1.434 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)C(C)(C)C ZINC000423516156 387349760 /nfs/dbraw/zinc/34/97/60/387349760.db2.gz NMRARJOHXAKMSW-GHMZBOCLSA-N 2 0 214.353 1.389 20 0 BDADRP C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)[C@H]1CCOC1 ZINC000400645133 387352387 /nfs/dbraw/zinc/35/23/87/387352387.db2.gz UIBKSPQRAJANGF-XQQFMLRXSA-N 2 0 224.348 1.097 20 0 BDADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H](C)C[NH3+])c1 ZINC000423786486 387424866 /nfs/dbraw/zinc/42/48/66/387424866.db2.gz QDYDFVZROSOBCI-LLVKDONJSA-N 2 0 249.358 1.590 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000643469328 387426541 /nfs/dbraw/zinc/42/65/41/387426541.db2.gz LNAFLAYTVYOBNS-CHWSQXEVSA-N 2 0 243.314 1.559 20 0 BDADRP C[C@@H](NC(=O)[C@@H]([NH3+])CC1CCCCC1)[C@H](C)[NH3+] ZINC000423676285 387395000 /nfs/dbraw/zinc/39/50/00/387395000.db2.gz IQJFJWCKYYGPSX-UMNHJUIQSA-N 2 0 241.379 1.136 20 0 BDADRP C[C@@H](C[NH2+][C@H]1COC(C)(C)C1)C[NH+]1CCCC1 ZINC000396870045 387506138 /nfs/dbraw/zinc/50/61/38/387506138.db2.gz XBYLSKAMJLQAAK-QWHCGFSZSA-N 2 0 240.391 1.875 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC000643475311 387509871 /nfs/dbraw/zinc/50/98/71/387509871.db2.gz FPIPXKSMTGBPLQ-RVMXOQNASA-N 2 0 226.364 1.661 20 0 BDADRP C[C@@H]([NH2+]CCc1ccc(F)c(F)c1)C1C[NH2+]C1 ZINC000516449637 387510530 /nfs/dbraw/zinc/51/05/30/387510530.db2.gz BGZQWNPOIKHHKQ-SECBINFHSA-N 2 0 240.297 1.705 20 0 BDADRP C[C@@H](C[NH2+][C@@H](C)CC1CCOCC1)C[NH+](C)C ZINC000425948683 387533884 /nfs/dbraw/zinc/53/38/84/387533884.db2.gz DOYIYNGTFSNHDL-STQMWFEESA-N 2 0 242.407 1.979 20 0 BDADRP CC(C)C[C@@H](C)C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000397053586 387534234 /nfs/dbraw/zinc/53/42/34/387534234.db2.gz LSKGJPSUWFMGEV-GFCCVEGCSA-N 2 0 228.380 1.454 20 0 BDADRP CC[C@@H](c1ccccc1)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000397087885 387536981 /nfs/dbraw/zinc/53/69/81/387536981.db2.gz IYGNPZXCEQKQQB-AWEZNQCLSA-N 2 0 248.370 1.923 20 0 BDADRP COC1(C[NH+]2CCC([NH+](C)C)CC2)CCCC1 ZINC000361500728 387474519 /nfs/dbraw/zinc/47/45/19/387474519.db2.gz IOSNDIHZIOQJJI-UHFFFAOYSA-N 2 0 240.391 1.972 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000643471070 387477805 /nfs/dbraw/zinc/47/78/05/387477805.db2.gz XQAMMTMTDIDGGE-RQJABVFESA-N 2 0 240.391 1.787 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C1CCC(CO)CC1 ZINC000643471374 387480033 /nfs/dbraw/zinc/48/00/33/387480033.db2.gz XQAMMTMTDIDGGE-NWINJMCUSA-N 2 0 240.391 1.787 20 0 BDADRP CO[C@@H]1CCN(CCCCCF)[C@H](C[NH3+])C1 ZINC000304460025 387482459 /nfs/dbraw/zinc/48/24/59/387482459.db2.gz ZUABBUWVQTZWOS-NWDGAFQWSA-N 2 0 232.343 1.564 20 0 BDADRP CCC1(O)CCC([NH2+][C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000643474266 387488713 /nfs/dbraw/zinc/48/87/13/387488713.db2.gz ZGWJMJVAGSEDDB-NELGMTEASA-N 2 0 240.391 1.787 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)C1 ZINC000643510518 387583314 /nfs/dbraw/zinc/58/33/14/387583314.db2.gz CBZBJWCUFCTPIZ-HZSPNIEDSA-N 2 0 240.391 1.923 20 0 BDADRP CCCC[N@H+](C)CCN[C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422714375 387628420 /nfs/dbraw/zinc/62/84/20/387628420.db2.gz QUURTEDEZQRGOY-KGLIPLIRSA-N 2 0 241.423 1.839 20 0 BDADRP COC(CN1CCC[C@H]([NH+](C)C)CC1)OC ZINC000375934886 387594625 /nfs/dbraw/zinc/59/46/25/387594625.db2.gz XUQOKOQALRFWIK-NSHDSACASA-N 2 0 230.352 1.021 20 0 BDADRP C1CC2(C1)[NH2+]CC[C@H]2N[C@@H]1CCC[NH2+]CC1 ZINC000527532174 387598990 /nfs/dbraw/zinc/59/89/90/387598990.db2.gz JVHYRTHLPROKNF-VXGBXAGGSA-N 2 0 223.364 1.003 20 0 BDADRP CC(C)(CC[NH3+])[NH2+]Cc1cc(O)cc(F)c1 ZINC000422557581 387600366 /nfs/dbraw/zinc/60/03/66/387600366.db2.gz WJIUXCPBJFOLEC-UHFFFAOYSA-N 2 0 226.295 1.748 20 0 BDADRP C[C@@H]1C[C@H]1C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422561072 387602447 /nfs/dbraw/zinc/60/24/47/387602447.db2.gz IVZHOGMHWBPNQJ-BNDIWNMDSA-N 2 0 210.365 1.948 20 0 BDADRP CC(C)(C)C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422698645 387616378 /nfs/dbraw/zinc/61/63/78/387616378.db2.gz AIOHEIAXOYBEKY-YNEHKIRRSA-N 2 0 240.391 1.779 20 0 BDADRP C[NH+](C)C[C@H]1CC[N@H+](CCCn2ccnc2)C1 ZINC000124472019 387618693 /nfs/dbraw/zinc/61/86/93/387618693.db2.gz UVZHBBMFDCODLH-CYBMUJFWSA-N 3 0 236.363 1.157 20 0 BDADRP CCCC[N@H+](C)CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422705185 387620294 /nfs/dbraw/zinc/62/02/94/387620294.db2.gz BIPJQVHTQCPYRO-PBWFPOADSA-N 2 0 239.407 1.591 20 0 BDADRP CCCC[N@H+](C)CCN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000422707909 387620804 /nfs/dbraw/zinc/62/08/04/387620804.db2.gz IKFQGLSGKGAHLA-UONOGXRCSA-N 2 0 241.423 1.825 20 0 BDADRP C[C@H](CCc1ccco1)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000643516435 387622541 /nfs/dbraw/zinc/62/25/41/387622541.db2.gz CPBIAUGMYNHOJK-ZWNOBZJWSA-N 2 0 222.332 1.928 20 0 BDADRP Cn1cc(CC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cn1 ZINC000422708686 387623186 /nfs/dbraw/zinc/62/31/86/387623186.db2.gz CFWFEBROOFPOKK-CHWSQXEVSA-N 2 0 236.363 1.212 20 0 BDADRP CCCC[NH+]1CCC(NC2CC[NH2+]CC2)CC1 ZINC000038041401 387569633 /nfs/dbraw/zinc/56/96/33/387569633.db2.gz ZYAGZWWKFDMDJM-UHFFFAOYSA-N 2 0 239.407 1.593 20 0 BDADRP Cc1ccc(C[NH2+][C@@H](C)CCC[NH3+])nc1 ZINC000400845416 387573230 /nfs/dbraw/zinc/57/32/30/387573230.db2.gz ZIJHLSDTFVCRJR-NSHDSACASA-N 2 0 207.321 1.607 20 0 BDADRP CCCCNC(=O)CC[NH2+][C@](C)(CN)C1CC1 ZINC000430592965 387630178 /nfs/dbraw/zinc/63/01/78/387630178.db2.gz NZYPFERAJCKPPJ-CYBMUJFWSA-N 2 0 241.379 1.010 20 0 BDADRP CC(C)OCCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430578845 387630246 /nfs/dbraw/zinc/63/02/46/387630246.db2.gz BNWJDQBJGXJZDU-CHWSQXEVSA-N 2 0 228.380 1.861 20 0 BDADRP CC[C@H](NCC[N@H+](C)CC)[C@@H]1CCC[NH2+]1 ZINC000422723032 387633599 /nfs/dbraw/zinc/63/35/99/387633599.db2.gz ZLBAYJCPPGRCHZ-RYUDHWBXSA-N 2 0 213.369 1.058 20 0 BDADRP C[C@@H]([NH2+]C[C@]1(C)CCOC1)[C@@H]1CCC[NH2+]1 ZINC000422725081 387635114 /nfs/dbraw/zinc/63/51/14/387635114.db2.gz ALJWLHPLVNZKSY-WOPDTQHZSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])CCOC1 ZINC000422725345 387636563 /nfs/dbraw/zinc/63/65/63/387636563.db2.gz BDZANZRDQDIFEY-JHJVBQTASA-N 2 0 226.364 1.663 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCCn1ccnc1 ZINC000422726926 387636884 /nfs/dbraw/zinc/63/68/84/387636884.db2.gz AVPZUEXPICXSNG-CHWSQXEVSA-N 2 0 236.363 1.523 20 0 BDADRP C[C@@H]([NH2+]C[C@@]1(C)CCOC1)[C@H]1CCCC[NH2+]1 ZINC000422728324 387637505 /nfs/dbraw/zinc/63/75/05/387637505.db2.gz JBUORPYCKOUSRI-JHJVBQTASA-N 2 0 226.364 1.533 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCc1ccccn1 ZINC000422731849 387640146 /nfs/dbraw/zinc/64/01/46/387640146.db2.gz MSAIWRNGRAWMTM-KBPBESRZSA-N 2 0 233.359 1.874 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCc1ccccn1 ZINC000422731851 387640588 /nfs/dbraw/zinc/64/05/88/387640588.db2.gz MSAIWRNGRAWMTM-UONOGXRCSA-N 2 0 233.359 1.874 20 0 BDADRP C[C@H](CN[C@H](Cc1ccccc1)[C@H](C)[NH3+])[NH+](C)C ZINC000422736579 387643320 /nfs/dbraw/zinc/64/33/20/387643320.db2.gz GQQQNFDNMVKPHP-VNHYZAJKSA-N 2 0 249.402 1.485 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@H]2CCN(C3CC3)C2)CC1 ZINC000422734806 387643809 /nfs/dbraw/zinc/64/38/09/387643809.db2.gz CWRRLXZZEHPCSZ-BPCQOVAHSA-N 2 0 237.391 1.330 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@@H]2CCN(C3CC3)C2)CC1 ZINC000422734807 387643993 /nfs/dbraw/zinc/64/39/93/387643993.db2.gz CWRRLXZZEHPCSZ-WXRRBKDZSA-N 2 0 237.391 1.330 20 0 BDADRP CCCCOCCC[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422738632 387646010 /nfs/dbraw/zinc/64/60/10/387646010.db2.gz ZBEDJRZWKVIYFX-RYUDHWBXSA-N 2 0 214.353 1.663 20 0 BDADRP C[C@H](CNC(=O)C(C)(C)[NH3+])[N@@H+]1CCCC[C@H]1C ZINC000430749868 387646946 /nfs/dbraw/zinc/64/69/46/387646946.db2.gz XTFAACKQDDHCQH-GHMZBOCLSA-N 2 0 241.379 1.103 20 0 BDADRP C[NH+](C)CCCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000422741895 387648591 /nfs/dbraw/zinc/64/85/91/387648591.db2.gz FLPLWARPYPZKHG-RYUDHWBXSA-N 2 0 213.369 1.188 20 0 BDADRP C[C@H]1CC[NH2+]C[C@@H]1NCC[N@H+](C)C1CCCC1 ZINC000422744953 387648951 /nfs/dbraw/zinc/64/89/51/387648951.db2.gz ULNHMXKGGOQHQF-JSGCOSHPSA-N 2 0 239.407 1.448 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@@H]1CCCO1 ZINC000422741928 387649219 /nfs/dbraw/zinc/64/92/19/387649219.db2.gz FQVQUWJJORXZPC-QJPTWQEYSA-N 2 0 212.337 1.415 20 0 BDADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000422747409 387650627 /nfs/dbraw/zinc/65/06/27/387650627.db2.gz YMOKRHUWDOQSSO-ZIAGYGMSSA-N 3 0 239.407 1.578 20 0 BDADRP C[C@H](CN[C@@H](C)c1c[nH+]ccc1N)[N@H+](C)C1CC1 ZINC000422747882 387651153 /nfs/dbraw/zinc/65/11/53/387651153.db2.gz ZSSIWNRFMGLENZ-MNOVXSKESA-N 2 0 248.374 1.627 20 0 BDADRP C[C@H](CN[C@H](C)c1c[nH+]ccc1N)[N@H+](C)C1CC1 ZINC000422747881 387651469 /nfs/dbraw/zinc/65/14/69/387651469.db2.gz ZSSIWNRFMGLENZ-GHMZBOCLSA-N 2 0 248.374 1.627 20 0 BDADRP C[C@H](CCCCO)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000643518694 387651700 /nfs/dbraw/zinc/65/17/00/387651700.db2.gz LZNPGWZXVDIFCG-OLZOCXBDSA-N 2 0 228.380 1.517 20 0 BDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C[C@@H](C)[NH3+] ZINC000430805622 387654536 /nfs/dbraw/zinc/65/45/36/387654536.db2.gz FULHQRCQHURXDN-LLVKDONJSA-N 2 0 249.358 1.732 20 0 BDADRP Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000422753267 387657582 /nfs/dbraw/zinc/65/75/82/387657582.db2.gz FYHSSXNBZVJJET-BPLDGKMQSA-N 2 0 248.370 1.837 20 0 BDADRP CSCCCC[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422755584 387658778 /nfs/dbraw/zinc/65/87/78/387658778.db2.gz KRCOFPIPLFQBHE-NXEZZACHSA-N 2 0 204.383 1.845 20 0 BDADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(C)(C)[NH3+] ZINC000430895380 387658899 /nfs/dbraw/zinc/65/88/99/387658899.db2.gz UFVIMEKOAJSPDC-QWRGUYRKSA-N 2 0 241.379 1.103 20 0 BDADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(C)(C)[NH3+] ZINC000430895378 387659108 /nfs/dbraw/zinc/65/91/08/387659108.db2.gz UFVIMEKOAJSPDC-GHMZBOCLSA-N 2 0 241.379 1.103 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCn1cnc2ccccc21 ZINC000422755271 387659404 /nfs/dbraw/zinc/65/94/04/387659404.db2.gz GOEXXAFJXAQZEN-NWDGAFQWSA-N 2 0 244.342 1.506 20 0 BDADRP CSCCCC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422755589 387659446 /nfs/dbraw/zinc/65/94/46/387659446.db2.gz KRCOFPIPLFQBHE-ZJUUUORDSA-N 2 0 204.383 1.845 20 0 BDADRP C[C@H]([NH2+]CCOC1CCCC1)C1C[NH2+]C1 ZINC000422759372 387660604 /nfs/dbraw/zinc/66/06/04/387660604.db2.gz JWAHZGVXGSOIRA-JTQLQIEISA-N 2 0 212.337 1.143 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@@H](C)C[C@H](C)[NH3+] ZINC000422756878 387661091 /nfs/dbraw/zinc/66/10/91/387661091.db2.gz MATOIFNESNIGJV-SDDRHHMPSA-N 2 0 213.369 1.186 20 0 BDADRP C[C@H]1C[N@H+](CCN(C)c2ccccc2)CC[C@H]1[NH3+] ZINC000430918481 387661209 /nfs/dbraw/zinc/66/12/09/387661209.db2.gz NEJRHVROUONIPJ-DZGCQCFKSA-N 2 0 247.386 1.792 20 0 BDADRP CC(C)(C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422758329 387661240 /nfs/dbraw/zinc/66/12/40/387661240.db2.gz JIGXQOREUIBAHZ-GARJFASQSA-N 2 0 214.353 1.253 20 0 BDADRP C[C@@H](NC[C@H](c1ccccc1)[NH+](C)C)C1C[NH2+]C1 ZINC000422756463 387661280 /nfs/dbraw/zinc/66/12/80/387661280.db2.gz LMWRBPVKFHNMNG-IUODEOHRSA-N 2 0 247.386 1.487 20 0 BDADRP Cc1ccc(NC(=O)[C@@H]2C[C@@H]2[NH3+])c(C[NH+](C)C)c1 ZINC000424137027 387661878 /nfs/dbraw/zinc/66/18/78/387661878.db2.gz BNWJLHWGQZXWAW-NEPJUHHUSA-N 2 0 247.342 1.342 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NCCC[N@@H+]1CCCC[C@@H]1C ZINC000422759734 387663655 /nfs/dbraw/zinc/66/36/55/387663655.db2.gz GARNEAVVGJKHTE-MJBXVCDLSA-N 2 0 241.423 1.966 20 0 BDADRP Cc1cc(C)n(CCC[NH2+][C@@H](C)C[C@@H](C)[NH3+])n1 ZINC000422764983 387664700 /nfs/dbraw/zinc/66/47/00/387664700.db2.gz VQWIAPYAGDNIPZ-MNOVXSKESA-N 2 0 238.379 1.605 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422765514 387666224 /nfs/dbraw/zinc/66/62/24/387666224.db2.gz WJAGNYYNFOFBRB-BFHYXJOUSA-N 2 0 239.407 1.448 20 0 BDADRP Cc1ccccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000422764854 387666525 /nfs/dbraw/zinc/66/65/25/387666525.db2.gz OPYGIDLVZYROAJ-NWANDNLSSA-N 2 0 248.370 1.837 20 0 BDADRP CC[N@@H+]1CCC[C@H]1CN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422766502 387667955 /nfs/dbraw/zinc/66/79/55/387667955.db2.gz XLQNYODLPBOUSB-RWMBFGLXSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCOC1CCCC1 ZINC000422773647 387671369 /nfs/dbraw/zinc/67/13/69/387671369.db2.gz ZBTIWTSKAJDROL-GHMZBOCLSA-N 2 0 214.353 1.661 20 0 BDADRP COc1cccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c1 ZINC000422770968 387671539 /nfs/dbraw/zinc/67/15/39/387671539.db2.gz QXFHGSKCZVUICQ-WDEREUQCSA-N 2 0 222.332 1.911 20 0 BDADRP CC(C)Cn1ccnc1C[NH2+][C@H](C)CCC[NH3+] ZINC000422777435 387674785 /nfs/dbraw/zinc/67/47/85/387674785.db2.gz FWJDHZWMCVIAGI-GFCCVEGCSA-N 2 0 238.379 1.756 20 0 BDADRP COCCOCCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422777345 387676101 /nfs/dbraw/zinc/67/61/01/387676101.db2.gz CFBYQLUQDUWITK-UHFFFAOYSA-N 2 0 244.379 1.147 20 0 BDADRP C[C@H]1CC[NH2+]C[C@H]1NCC1([NH+](C)C)CCCC1 ZINC000422781331 387681020 /nfs/dbraw/zinc/68/10/20/387681020.db2.gz ILYYKHBRWIFDEW-QWHCGFSZSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422786115 387687444 /nfs/dbraw/zinc/68/74/44/387687444.db2.gz SBCMXWLZTMSTBV-CYDGBPFRSA-N 2 0 225.380 1.199 20 0 BDADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)CCC[NH3+])CC1 ZINC000422743540 387688502 /nfs/dbraw/zinc/68/85/02/387688502.db2.gz RQXORLDICHRSDE-ZDUSSCGKSA-N 3 0 241.423 1.825 20 0 BDADRP CC[C@@H](NC[C@H](C)[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000422743536 387689883 /nfs/dbraw/zinc/68/98/83/387689883.db2.gz RQRNQHIFNPKYEI-TUAOUCFPSA-N 2 0 213.369 1.057 20 0 BDADRP C[C@H](CN[C@H]1CCCCC[C@@H]1[NH3+])[N@H+](C)C1CC1 ZINC000422743906 387690575 /nfs/dbraw/zinc/69/05/75/387690575.db2.gz SDDZISNOVSUJHI-XBFCOCLRSA-N 2 0 239.407 1.719 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]2[NH3+])C[N@@H+]1C1CC1 ZINC000422861760 387745072 /nfs/dbraw/zinc/74/50/72/387745072.db2.gz JNNRUFPINIRTRQ-LYIQGSDWSA-N 2 0 223.364 1.081 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NCC[NH+]1CCC(C)CC1 ZINC000422867010 387746245 /nfs/dbraw/zinc/74/62/45/387746245.db2.gz RNQDATOUGXOURR-STQMWFEESA-N 2 0 227.396 1.434 20 0 BDADRP Cc1cc(F)ccc1CC[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422864968 387746457 /nfs/dbraw/zinc/74/64/57/387746457.db2.gz NZLJPWDNRSIGMS-LLVKDONJSA-N 2 0 236.334 1.874 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]2C[NH3+])C[N@@H+]1C1CC1 ZINC000422863802 387746522 /nfs/dbraw/zinc/74/65/22/387746522.db2.gz MBHYSJFDLURPIO-NRWUCQMLSA-N 2 0 237.391 1.329 20 0 BDADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422863383 387746865 /nfs/dbraw/zinc/74/68/65/387746865.db2.gz LJPRHXXUGZATLS-RWMBFGLXSA-N 3 0 245.411 1.059 20 0 BDADRP C[C@@H](NCC[N@@H+]1CCC[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422871385 387750271 /nfs/dbraw/zinc/75/02/71/387750271.db2.gz ZYKKWJFGZYPKMM-MJBXVCDLSA-N 2 0 239.407 1.448 20 0 BDADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H](C)[NH3+])c1 ZINC000643526320 387750731 /nfs/dbraw/zinc/75/07/31/387750731.db2.gz ZGYGTQRNTYSSMT-RYUDHWBXSA-N 2 0 249.358 1.649 20 0 BDADRP CC(C)C[C@H](CCO)C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000422804887 387702535 /nfs/dbraw/zinc/70/25/35/387702535.db2.gz IFEDIEVIJCCXLO-BFHYXJOUSA-N 2 0 242.407 1.748 20 0 BDADRP [NH3+]CC1CCC([NH2+]CCCn2cccn2)CC1 ZINC000422805079 387702878 /nfs/dbraw/zinc/70/28/78/387702878.db2.gz GELCVJSEMIICLU-UHFFFAOYSA-N 2 0 236.363 1.380 20 0 BDADRP CC[C@H](NCC[NH+]1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000422810217 387708505 /nfs/dbraw/zinc/70/85/05/387708505.db2.gz MZTLIPFACYBUKD-KBPBESRZSA-N 2 0 239.407 1.593 20 0 BDADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCC1CCCC1 ZINC000422809283 387708943 /nfs/dbraw/zinc/70/89/43/387708943.db2.gz RRTWXIHIIUVAKS-IACUBPJLSA-N 2 0 240.391 1.909 20 0 BDADRP CCC1(C[NH2+][C@H]2CCC[C@H]2[NH3+])CCOCC1 ZINC000422814173 387710924 /nfs/dbraw/zinc/71/09/24/387710924.db2.gz TYBJYKMWSCYIKI-NEPJUHHUSA-N 2 0 226.364 1.663 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC1(CCO)CCCC1 ZINC000422812829 387711339 /nfs/dbraw/zinc/71/13/39/387711339.db2.gz RBGZPTZLSXAPEW-VXGBXAGGSA-N 2 0 228.380 1.645 20 0 BDADRP CCO[C@H](CC[NH2+][C@@H](C)C1C[NH2+]C1)C(C)C ZINC000422815562 387714539 /nfs/dbraw/zinc/71/45/39/387714539.db2.gz XXCOMHHLWVHWNK-WCQYABFASA-N 2 0 228.380 1.635 20 0 BDADRP CC(C)C[NH+]1CCC(N[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000422817130 387715375 /nfs/dbraw/zinc/71/53/75/387715375.db2.gz GUJCDSSWYHIEMC-QWHCGFSZSA-N 2 0 241.423 1.822 20 0 BDADRP CC(C)C[C@H](CN[C@H](C)C[C@@H](C)[NH3+])[NH+](C)C ZINC000422820792 387716781 /nfs/dbraw/zinc/71/67/81/387716781.db2.gz SFYWYZNACNKXAQ-JHJVBQTASA-N 2 0 229.412 1.678 20 0 BDADRP CCC[N@H+](CC)CCN[C@H](C)C[C@@H](C)[NH3+] ZINC000422824120 387719597 /nfs/dbraw/zinc/71/95/97/387719597.db2.gz MYIDCHLRENINNO-VXGBXAGGSA-N 2 0 215.385 1.434 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000643526029 387755473 /nfs/dbraw/zinc/75/54/73/387755473.db2.gz NYDDPDBFCYJZRD-ZDEQEGDKSA-N 2 0 226.364 1.674 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCOCc1ccccc1 ZINC000422824999 387720585 /nfs/dbraw/zinc/72/05/85/387720585.db2.gz OVRAXVUOGNXEFO-OLZOCXBDSA-N 2 0 236.359 1.919 20 0 BDADRP CC[N@H+](CCN[C@@H](C)[C@H]1CCC[NH2+]1)C(C)C ZINC000422876682 387755548 /nfs/dbraw/zinc/75/55/48/387755548.db2.gz GHPJUCKDWKNYKV-QWHCGFSZSA-N 2 0 227.396 1.447 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CCCNc1ccccn1 ZINC000422828852 387723350 /nfs/dbraw/zinc/72/33/50/387723350.db2.gz BMTYBKDAZHJTJW-GFCCVEGCSA-N 2 0 236.363 1.601 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCCNc1ccccn1 ZINC000422831123 387723508 /nfs/dbraw/zinc/72/35/08/387723508.db2.gz JETWGUIKDSVOFS-RYUDHWBXSA-N 2 0 236.363 1.599 20 0 BDADRP C[C@H](N[C@H]1CCC[NH2+]CC1)[C@H]1CCCC[NH2+]1 ZINC000643523068 387725132 /nfs/dbraw/zinc/72/51/32/387725132.db2.gz UXUCXIAEXMBRQL-RWMBFGLXSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000422832851 387727026 /nfs/dbraw/zinc/72/70/26/387727026.db2.gz GHOGTYFOHSXTLS-RDBSUJKOSA-N 3 0 241.423 1.966 20 0 BDADRP COC1CCC(C[NH2+][C@H](C)C[C@H](C)[NH3+])CC1 ZINC000422841721 387731770 /nfs/dbraw/zinc/73/17/70/387731770.db2.gz WRSWCUZNNIEZQX-ZFDZMSFRSA-N 2 0 228.380 1.907 20 0 BDADRP CC[C@@H]([NH2+]CC1CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000422841322 387731865 /nfs/dbraw/zinc/73/18/65/387731865.db2.gz CTKIHMDSIHOAGY-OLZOCXBDSA-N 2 0 226.364 1.533 20 0 BDADRP Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000643524156 387739058 /nfs/dbraw/zinc/73/90/58/387739058.db2.gz RKBISGDMKYNEKU-GDPRMGEGSA-N 2 0 222.336 1.639 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@H](C)C[C@@H](C)[NH3+] ZINC000422910130 387768963 /nfs/dbraw/zinc/76/89/63/387768963.db2.gz PVWLZNAGFHXQQP-UTUOFQBUSA-N 2 0 215.385 1.432 20 0 BDADRP CC[N@@H+]1CCCC[C@H]1CN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422909512 387770141 /nfs/dbraw/zinc/77/01/41/387770141.db2.gz OEZNWYRHNOBTCS-RDBSUJKOSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H]([NH2+]CCCc1cnn(C)c1)[C@@H]1CCC[NH2+]1 ZINC000422911492 387771640 /nfs/dbraw/zinc/77/16/40/387771640.db2.gz TVTJZVAIOXEQAW-YPMHNXCESA-N 2 0 236.363 1.083 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000422912037 387771776 /nfs/dbraw/zinc/77/17/76/387771776.db2.gz VABUOIXBAKLJSJ-BFHYXJOUSA-N 2 0 241.423 1.966 20 0 BDADRP Cc1cccc(NCC[NH2+][C@H](C)CCC[NH3+])n1 ZINC000422920405 387775176 /nfs/dbraw/zinc/77/51/76/387775176.db2.gz MSFQQUVBQYGNEP-LLVKDONJSA-N 2 0 236.363 1.519 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1CCSC1 ZINC000422920229 387776349 /nfs/dbraw/zinc/77/63/49/387776349.db2.gz LZCYFABOSPRDJU-GMTAPVOTSA-N 2 0 214.378 1.470 20 0 BDADRP C[C@H]([NH3+])CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000643529638 387777047 /nfs/dbraw/zinc/77/70/47/387777047.db2.gz IETRNXOEBDIVGT-WUHRBBMRSA-N 2 0 225.380 1.234 20 0 BDADRP CC[C@@H](O)CCC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422923815 387777390 /nfs/dbraw/zinc/77/73/90/387777390.db2.gz SPHQPHVFBSXHKP-YNEHKIRRSA-N 2 0 228.380 1.658 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1CC=CC1 ZINC000527945425 387782144 /nfs/dbraw/zinc/78/21/44/387782144.db2.gz RCMJDFMVJFTTNM-WCQYABFASA-N 2 0 208.349 1.882 20 0 BDADRP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000422899667 387784694 /nfs/dbraw/zinc/78/46/94/387784694.db2.gz IBFQQMRIRLDDQN-FVCCEPFGSA-N 2 0 226.364 1.661 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@H](CCC)[NH+](C)C ZINC000422900909 387786364 /nfs/dbraw/zinc/78/63/64/387786364.db2.gz KHZJJHONDZPAHT-NEPJUHHUSA-N 2 0 243.395 1.350 20 0 BDADRP CCc1nc(CC[NH2+][C@@H]2CCC[C@H]2[NH3+])cs1 ZINC000422903373 387787337 /nfs/dbraw/zinc/78/73/37/387787337.db2.gz OLFMJCTYXSERLQ-GHMZBOCLSA-N 2 0 239.388 1.717 20 0 BDADRP CO[C@H](C)CC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422901981 387787451 /nfs/dbraw/zinc/78/74/51/387787451.db2.gz MBGAJKXEGFLKDM-UTUOFQBUSA-N 2 0 214.353 1.661 20 0 BDADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CCC1CC(O)C1 ZINC000432421610 387788298 /nfs/dbraw/zinc/78/82/98/387788298.db2.gz QFYHAXXJHYFZTK-UZRPSVAASA-N 2 0 238.375 1.220 20 0 BDADRP CCC(O)(CC)C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422977262 387789250 /nfs/dbraw/zinc/78/92/50/387789250.db2.gz WNPJEYYENANQAN-NXEZZACHSA-N 2 0 202.342 1.253 20 0 BDADRP CS[C@@H](CO)[C@@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422977105 387789895 /nfs/dbraw/zinc/78/98/95/387789895.db2.gz JLXCRKCHAWZTFP-YYJSSNLHSA-N 2 0 246.420 1.206 20 0 BDADRP [NH3+]CC1CCC([NH2+]CCSCCCO)CC1 ZINC000422979914 387791348 /nfs/dbraw/zinc/79/13/48/387791348.db2.gz NWAYWABKXQCLDY-UHFFFAOYSA-N 2 0 246.420 1.209 20 0 BDADRP CC[C@@H]([NH2+]CCSCCCO)[C@@H]1CCC[NH2+]1 ZINC000422982733 387793406 /nfs/dbraw/zinc/79/34/06/387793406.db2.gz XTCSJXAEDFKSBY-NEPJUHHUSA-N 2 0 246.420 1.222 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCC[C@H]1CCCC[C@@H]1O ZINC000422988178 387797493 /nfs/dbraw/zinc/79/74/93/387797493.db2.gz IMBYVDJZLGYKME-MQYQWHSLSA-N 2 0 240.391 1.787 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCC(C)(C)CO ZINC000422989718 387797611 /nfs/dbraw/zinc/79/76/11/387797611.db2.gz BGEWDJPQRQCFMH-OLZOCXBDSA-N 2 0 242.407 1.763 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCc1ccc(O)cc1 ZINC000422988264 387797842 /nfs/dbraw/zinc/79/78/42/387797842.db2.gz KCHBFYSXIZYKPU-CHWSQXEVSA-N 2 0 220.316 1.404 20 0 BDADRP Cc1cc(C[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])[nH]n1 ZINC000422987924 387798062 /nfs/dbraw/zinc/79/80/62/387798062.db2.gz HVEQISBDMOUCNF-WDEREUQCSA-N 2 0 238.379 1.756 20 0 BDADRP COc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)cn1 ZINC000422964042 387813192 /nfs/dbraw/zinc/81/31/92/387813192.db2.gz KHQZDZCLZYZCTM-WCQYABFASA-N 2 0 249.358 1.568 20 0 BDADRP CC[C@H](CN[C@@H]1CCC[C@@H]1[NH3+])[NH+]1CCCC1 ZINC000422965262 387813285 /nfs/dbraw/zinc/81/32/85/387813285.db2.gz OFIZJJDCORFBGH-FRRDWIJNSA-N 2 0 225.380 1.330 20 0 BDADRP CC(C)O[C@@]1(C)C[C@H]1[NH2+][C@@H]1CCN(C)C[C@@H]1C ZINC000527998235 387805230 /nfs/dbraw/zinc/80/52/30/387805230.db2.gz KXDQACVWTAULRE-DGAVXFQQSA-N 2 0 240.391 1.872 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000442604246 387808041 /nfs/dbraw/zinc/80/80/41/387808041.db2.gz XKYPZUMCSWWSBS-DGCLKSJQSA-N 2 0 241.379 1.091 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CC1(C)C ZINC000422956502 387809837 /nfs/dbraw/zinc/80/98/37/387809837.db2.gz PSYFZFXUWRQXCH-FIQHERPVSA-N 2 0 226.364 1.374 20 0 BDADRP CC[C@@H](CN[C@H](C)[C@@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000422964891 387813540 /nfs/dbraw/zinc/81/35/40/387813540.db2.gz MYWUHQHYJYPNBQ-RDBSUJKOSA-N 2 0 239.407 1.591 20 0 BDADRP CC[N@H+](CCN[C@H]1C[NH2+]CC[C@H]1C)C(C)C ZINC000422881971 387757449 /nfs/dbraw/zinc/75/74/49/387757449.db2.gz RLKKSGAYLGCPLS-OLZOCXBDSA-N 2 0 227.396 1.304 20 0 BDADRP C[C@H]([NH3+])CN[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000643527048 387759529 /nfs/dbraw/zinc/75/95/29/387759529.db2.gz CGFGHOLDIPYJPE-GZBFAFLISA-N 2 0 247.386 1.586 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)[C@H]1CCC[NH2+]1 ZINC000422887633 387760343 /nfs/dbraw/zinc/76/03/43/387760343.db2.gz LDBZJGHUGZUBTD-ODXJTPSBSA-N 2 0 238.375 1.674 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CCN1[C@H](C)CCC[C@@H]1C ZINC000422888322 387761056 /nfs/dbraw/zinc/76/10/56/387761056.db2.gz MRAHAVHSCPRMSY-MCIONIFRSA-N 2 0 241.423 1.966 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1NCCOCC1CC1 ZINC000422889019 387761341 /nfs/dbraw/zinc/76/13/41/387761341.db2.gz ONZNCENIBCQCQF-ZYHUDNBSSA-N 2 0 212.337 1.001 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCc1ccccc1O ZINC000422972317 387820640 /nfs/dbraw/zinc/82/06/40/387820640.db2.gz KZQAVHPNUALONM-QWHCGFSZSA-N 2 0 234.343 1.652 20 0 BDADRP CCC[N@@H+]1CC[C@@H](CN[C@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000422975080 387823812 /nfs/dbraw/zinc/82/38/12/387823812.db2.gz SHROYWZXLZCQRG-HZSPNIEDSA-N 2 0 239.407 1.448 20 0 BDADRP Cc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cn1 ZINC000162304559 387825658 /nfs/dbraw/zinc/82/56/58/387825658.db2.gz JKJUWQZSVRBYSR-AAEUAGOBSA-N 2 0 219.332 1.559 20 0 BDADRP CC[C@@H]([NH2+]CC(CC)(CC)CO)[C@@H]1CCC[NH2+]1 ZINC000423004873 387825867 /nfs/dbraw/zinc/82/58/67/387825867.db2.gz QCGKPFZEXZBUKJ-OLZOCXBDSA-N 2 0 242.407 1.905 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000423004263 387826788 /nfs/dbraw/zinc/82/67/88/387826788.db2.gz JKGHPAVXUXXRDP-FQUUOJAGSA-N 2 0 240.391 1.787 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]CC2COC2)CC1 ZINC000528023263 387828623 /nfs/dbraw/zinc/82/86/23/387828623.db2.gz PPEZXXSAXPNBMV-UHFFFAOYSA-N 2 0 212.337 1.095 20 0 BDADRP CCOCCC1(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000423005781 387828756 /nfs/dbraw/zinc/82/87/56/387828756.db2.gz STLHZIDUAAQMNU-NEPJUHHUSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)[C@H]1COc2ccccc21 ZINC000423006155 387828892 /nfs/dbraw/zinc/82/88/92/387828892.db2.gz UIAIZFHUOFYVSQ-MISXGVKJSA-N 2 0 246.354 1.749 20 0 BDADRP CC[C@H]([NH2+]C[C@@H](C)CCO)[C@@H]1CCC[NH2+]1 ZINC000423007128 387829244 /nfs/dbraw/zinc/82/92/44/387829244.db2.gz PWHZFMHQEOVSKP-SRVKXCTJSA-N 2 0 214.353 1.125 20 0 BDADRP CCCC[C@@H]([NH3+])C(=O)NCC([NH3+])(CC)CC ZINC000442721427 387829368 /nfs/dbraw/zinc/82/93/68/387829368.db2.gz VDLOHGSEVJJWPM-SNVBAGLBSA-N 2 0 229.368 1.138 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1CCC[C@@H](O)C1)[C@@H]1CCC[NH2+]1 ZINC000423006056 387829996 /nfs/dbraw/zinc/82/99/96/387829996.db2.gz NVDGMAOUVPZCRZ-CRWXNKLISA-N 2 0 240.391 1.658 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1ccncc1 ZINC000423010792 387833572 /nfs/dbraw/zinc/83/35/72/387833572.db2.gz YIQCIHYQFBEVQM-TZMCWYRMSA-N 2 0 233.359 1.602 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCNc1ccccn1 ZINC000423009634 387834188 /nfs/dbraw/zinc/83/41/88/387834188.db2.gz WBYIAJVCMMKAHR-NWDGAFQWSA-N 2 0 234.347 1.211 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@H]2CCO[C@H]2C2CC2)CC1 ZINC000423014025 387835769 /nfs/dbraw/zinc/83/57/69/387835769.db2.gz NVSFWVSFJITLIU-FFKWVLBGSA-N 2 0 238.375 1.661 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC1(CO)CC1 ZINC000643459331 387836503 /nfs/dbraw/zinc/83/65/03/387836503.db2.gz NZNXRPVDMCFLQH-MNOVXSKESA-N 2 0 212.337 1.009 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CCO1 ZINC000423014728 387838812 /nfs/dbraw/zinc/83/88/12/387838812.db2.gz JDZAJNZPLVQFLP-FVCCEPFGSA-N 2 0 226.364 1.804 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000423015244 387838904 /nfs/dbraw/zinc/83/89/04/387838904.db2.gz QOEORXVTPXHPSZ-AVGNSLFASA-N 2 0 228.380 1.645 20 0 BDADRP CO[C@@H]1CCC[C@H]1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000423015153 387839066 /nfs/dbraw/zinc/83/90/66/387839066.db2.gz KAHQIOKSAFWXJA-GNRIBBGQSA-N 2 0 240.391 1.909 20 0 BDADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000423019275 387840482 /nfs/dbraw/zinc/84/04/82/387840482.db2.gz UYXVSEJGKQRFJD-FVCCEPFGSA-N 2 0 226.364 1.519 20 0 BDADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000423019274 387840682 /nfs/dbraw/zinc/84/06/82/387840682.db2.gz UYXVSEJGKQRFJD-FDYHWXHSSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCC[C@@H]2[NH3+])CCO1 ZINC000423027641 387842963 /nfs/dbraw/zinc/84/29/63/387842963.db2.gz DUAHGIWSTNTKMU-NDBYEHHHSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H](CO)CC1CCCC1 ZINC000423024865 387843360 /nfs/dbraw/zinc/84/33/60/387843360.db2.gz MYTOZAOCCYMYEP-YPMHNXCESA-N 2 0 228.380 1.645 20 0 BDADRP C[C@H](CCN[C@@H]1CCC[C@@H]1[NH3+])[NH+]1CCCCC1 ZINC000423026152 387843712 /nfs/dbraw/zinc/84/37/12/387843712.db2.gz ARYZCBTVXQFRSQ-HZSPNIEDSA-N 2 0 239.407 1.720 20 0 BDADRP C[C@H](Cc1ccoc1)[NH2+][C@H]1CCCN(C)C1 ZINC000648432499 387844097 /nfs/dbraw/zinc/84/40/97/387844097.db2.gz OWPJCEXGNQBQNJ-YPMHNXCESA-N 2 0 222.332 1.894 20 0 BDADRP CC1=CCN(CC[NH2+][C@H](C)CCC[NH3+])CC1 ZINC000423029959 387846427 /nfs/dbraw/zinc/84/64/27/387846427.db2.gz AWDSIFWIVUXAMT-CYBMUJFWSA-N 2 0 225.380 1.355 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000423032672 387848492 /nfs/dbraw/zinc/84/84/92/387848492.db2.gz MYQJUZHBYVZMLA-RFGFWPKPSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1CCCCS1 ZINC000423032367 387849690 /nfs/dbraw/zinc/84/96/90/387849690.db2.gz MHCRAJMVTXDBEE-AXFHLTTASA-N 2 0 216.394 1.988 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000423037434 387851628 /nfs/dbraw/zinc/85/16/28/387851628.db2.gz BQWGHCUFXTXQEW-NEPJUHHUSA-N 3 0 227.396 1.434 20 0 BDADRP CCC[NH+]1CCC(N[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000396634441 387854023 /nfs/dbraw/zinc/85/40/23/387854023.db2.gz YYOLNBKFUCCBPZ-JSGCOSHPSA-N 2 0 239.407 1.591 20 0 BDADRP Cc1ccc(F)c(C[NH2+]CCCC[NH3+])c1 ZINC000235756222 387855583 /nfs/dbraw/zinc/85/55/83/387855583.db2.gz DJRPWPWMZJHHKB-UHFFFAOYSA-N 2 0 210.296 1.963 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@H](C)C(F)(F)F ZINC000423048398 387858250 /nfs/dbraw/zinc/85/82/50/387858250.db2.gz HVGAVVZURBDTOH-JGVFFNPUSA-N 2 0 212.259 1.902 20 0 BDADRP Cc1nccn1CC[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000235792556 387858526 /nfs/dbraw/zinc/85/85/26/387858526.db2.gz CBTMZVCGBROSMO-STQMWFEESA-N 2 0 235.331 1.349 20 0 BDADRP CC[C@H]([NH2+]CC1(CO)CCCC1)[C@@H]1CCC[NH2+]1 ZINC000423052222 387859489 /nfs/dbraw/zinc/85/94/89/387859489.db2.gz PFIUFERNXJDAFI-STQMWFEESA-N 2 0 240.391 1.659 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCCC[C@H]1O ZINC000423050104 387859622 /nfs/dbraw/zinc/85/96/22/387859622.db2.gz KTBFDPOZLOTSKL-LNFKQOIKSA-N 2 0 200.326 1.005 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1O ZINC000423050105 387859882 /nfs/dbraw/zinc/85/98/82/387859882.db2.gz KTBFDPOZLOTSKL-UKKRHICBSA-N 2 0 200.326 1.005 20 0 BDADRP CCn1cc([C@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)cn1 ZINC000643534805 387860659 /nfs/dbraw/zinc/86/06/59/387860659.db2.gz DALJZUOOVJFSEC-AAEUAGOBSA-N 2 0 248.374 1.696 20 0 BDADRP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+][C@H](C)C1C[NH2+]C1 ZINC000423051460 387860858 /nfs/dbraw/zinc/86/08/58/387860858.db2.gz NJWHGJCFGRTCMQ-XBFCOCLRSA-N 2 0 240.391 1.778 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])N[C@@H](C)C[NH+]1CCCCCC1 ZINC000423050917 387861108 /nfs/dbraw/zinc/86/11/08/387861108.db2.gz MHTUIFXOHKPYGV-MJBXVCDLSA-N 2 0 241.423 1.966 20 0 BDADRP COC[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)C(C)C ZINC000643535095 387861282 /nfs/dbraw/zinc/86/12/82/387861282.db2.gz IYGJKELYLYARGN-RYUDHWBXSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)CN1CCCCCC1 ZINC000423055450 387861855 /nfs/dbraw/zinc/86/18/55/387861855.db2.gz WCZWQZFLVCRKQH-KBPBESRZSA-N 2 0 241.423 1.968 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000423054705 387862580 /nfs/dbraw/zinc/86/25/80/387862580.db2.gz CCFVKDALUDVPNU-VJTDZRGJSA-N 2 0 238.375 1.661 20 0 BDADRP CO[C@H](C)C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423056506 387862693 /nfs/dbraw/zinc/86/26/93/387862693.db2.gz GAYISZGOEVQYQK-MBNYWOFBSA-N 2 0 236.359 1.569 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC23CC[NH2+]CC3)[C@@H]1C ZINC000643535741 387864291 /nfs/dbraw/zinc/86/42/91/387864291.db2.gz IICGJQBHDKXSQK-WYUUTHIRSA-N 2 0 208.349 1.763 20 0 BDADRP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000423060916 387864944 /nfs/dbraw/zinc/86/49/44/387864944.db2.gz PSQDXARLKGIDGM-RBSFLKMASA-N 2 0 248.370 1.368 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1CCO ZINC000423059216 387865173 /nfs/dbraw/zinc/86/51/73/387865173.db2.gz FIHJZLVYPXSGDJ-FQUUOJAGSA-N 2 0 240.391 1.645 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@H]2CCC[C@@H]2CCO)CC1 ZINC000423061233 387865462 /nfs/dbraw/zinc/86/54/62/387865462.db2.gz KGXJMODDLNPACH-HHTDUIENSA-N 2 0 240.391 1.645 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1C[C@H]2OCCC[C@H]12 ZINC000423060698 387865562 /nfs/dbraw/zinc/86/55/62/387865562.db2.gz PASANMSELWYRJS-RKQHYHRCSA-N 2 0 238.375 1.532 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@H]12)[C@H]1CCCC[NH2+]1 ZINC000423062124 387867057 /nfs/dbraw/zinc/86/70/57/387867057.db2.gz SMKNEUGHOXZNDK-RYMFRWLXSA-N 2 0 238.375 1.674 20 0 BDADRP CC[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)[C@@H]1CCC[NH2+]1 ZINC000643536259 387867414 /nfs/dbraw/zinc/86/74/14/387867414.db2.gz PIHKCBDVOVWVFS-AGIUHOORSA-N 3 0 237.391 1.249 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NCC1([NH+](C)C)CCC1 ZINC000423063120 387867563 /nfs/dbraw/zinc/86/75/63/387867563.db2.gz VNGLZRGTHRVOBQ-QWRGUYRKSA-N 2 0 213.369 1.186 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643536422 387868003 /nfs/dbraw/zinc/86/80/03/387868003.db2.gz QSBOSGMPWDYXEK-FRRDWIJNSA-N 3 0 237.391 1.378 20 0 BDADRP Cc1ccc(C[C@@H](CO)[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000423063439 387867966 /nfs/dbraw/zinc/86/79/66/387867966.db2.gz WQDJUFBAGYZNMX-DOMZBBRYSA-N 2 0 248.370 1.096 20 0 BDADRP CO[C@@H]1CC[C@@H]([NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000423066007 387870146 /nfs/dbraw/zinc/87/01/46/387870146.db2.gz COVBNHSHWQUBHU-UMSGYPCISA-N 2 0 226.364 1.674 20 0 BDADRP CCC(O)(CC)CC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000423069827 387871735 /nfs/dbraw/zinc/87/17/35/387871735.db2.gz MJJVDYPTFOZCEF-NEPJUHHUSA-N 2 0 228.380 1.645 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1ccco1 ZINC000422963127 387814243 /nfs/dbraw/zinc/81/42/43/387814243.db2.gz HPBJKKBRWDEBSN-WCQYABFASA-N 2 0 222.332 1.800 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCc1ccc(CO)cc1 ZINC000643478217 387814656 /nfs/dbraw/zinc/81/46/56/387814656.db2.gz FVMHSBAQQWTISF-UONOGXRCSA-N 2 0 234.343 1.191 20 0 BDADRP COc1cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])ccn1 ZINC000422968231 387816155 /nfs/dbraw/zinc/81/61/55/387816155.db2.gz VSQAKIFXDUGYPP-NXEZZACHSA-N 2 0 223.320 1.306 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000422969729 387818710 /nfs/dbraw/zinc/81/87/10/387818710.db2.gz DKACSLRJIUZNGR-RFQIPJPRSA-N 2 0 238.375 1.685 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422968406 387819640 /nfs/dbraw/zinc/81/96/40/387819640.db2.gz WTDUYZNFDNKONJ-UONOGXRCSA-N 2 0 241.423 1.694 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCC[C@H]1OC(F)F)[C@@H]1CC[NH2+]C1 ZINC000423109502 387893876 /nfs/dbraw/zinc/89/38/76/387893876.db2.gz HIZKPJFOQANXLX-GWOFURMSSA-N 2 0 248.317 1.734 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCOC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423109691 387894001 /nfs/dbraw/zinc/89/40/01/387894001.db2.gz NZXIYQRIBCLMJB-LPWJVIDDSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000423108418 387894246 /nfs/dbraw/zinc/89/42/46/387894246.db2.gz MDGQSNCNFDWQMA-SYQHCUMBSA-N 2 0 240.391 1.766 20 0 BDADRP C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423108416 387894254 /nfs/dbraw/zinc/89/42/54/387894254.db2.gz MDGQSNCNFDWQMA-AAVRWANBSA-N 2 0 240.391 1.766 20 0 BDADRP C[C@@H]([NH2+]CCC1C[C@@H](C)O[C@H](C)C1)C1C[NH2+]C1 ZINC000423116284 387898293 /nfs/dbraw/zinc/89/82/93/387898293.db2.gz PEYVNBKLFNGXAH-IJLUTSLNSA-N 2 0 240.391 1.778 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCSC1)[C@H]1CCC[NH2+]1 ZINC000423080747 387876724 /nfs/dbraw/zinc/87/67/24/387876724.db2.gz AIIOVTMWDGJVSH-GMTAPVOTSA-N 2 0 214.378 1.470 20 0 BDADRP CSC1(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000423079810 387877145 /nfs/dbraw/zinc/87/71/45/387877145.db2.gz BAGIZXDIIQSSIX-DTWKUNHWSA-N 2 0 200.351 1.351 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000423083194 387878144 /nfs/dbraw/zinc/87/81/44/387878144.db2.gz FMYJULMJNQJKGA-MGPQQGTHSA-N 2 0 241.423 1.694 20 0 BDADRP CC(C)[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)C(C)(C)O ZINC000423083134 387878174 /nfs/dbraw/zinc/87/81/74/387878174.db2.gz YIKPYRHNFFROCH-UTUOFQBUSA-N 2 0 228.380 1.512 20 0 BDADRP COC1CCC(C)(C[NH2+][C@H](C)C2C[NH2+]C2)CC1 ZINC000423083737 387878619 /nfs/dbraw/zinc/87/86/19/387878619.db2.gz GOOFYRKJWILWKX-LMWSTFAQSA-N 2 0 240.391 1.779 20 0 BDADRP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])C1 ZINC000423084307 387879015 /nfs/dbraw/zinc/87/90/15/387879015.db2.gz HQGUDRDPGSSQMT-XWLWVQCSSA-N 2 0 228.336 1.044 20 0 BDADRP COC1CCC(C)(C[NH2+]C2CC[NH2+]CC2)CC1 ZINC000423088015 387879937 /nfs/dbraw/zinc/87/99/37/387879937.db2.gz QWQJLWKFOOBSAU-UHFFFAOYSA-N 2 0 240.391 1.923 20 0 BDADRP CSC1(C[NH2+][C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000423086643 387880629 /nfs/dbraw/zinc/88/06/29/387880629.db2.gz MJFDWVZGOWSPQG-IUCAKERBSA-N 2 0 202.367 1.597 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000423116615 387898500 /nfs/dbraw/zinc/89/85/00/387898500.db2.gz QPUCOKBBCBTICK-AXTSPUMRSA-N 2 0 236.306 1.862 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423090002 387883637 /nfs/dbraw/zinc/88/36/37/387883637.db2.gz WITFDHBGUSQKDM-MGPQQGTHSA-N 2 0 241.423 1.824 20 0 BDADRP Cc1csc(CC[NH2+][C@@H](C)C[C@@H](C)[NH3+])n1 ZINC000643460673 387885682 /nfs/dbraw/zinc/88/56/82/387885682.db2.gz CLQXORAIXOIFIK-BDAKNGLRSA-N 2 0 227.377 1.709 20 0 BDADRP CCC[N@@H+]1CCC[C@H]1CN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423116118 387898661 /nfs/dbraw/zinc/89/86/61/387898661.db2.gz ZPJMGJAPMFLHLB-MELADBBJSA-N 2 0 239.407 1.591 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000423099025 387887165 /nfs/dbraw/zinc/88/71/65/387887165.db2.gz ABHOXLUJXYFAHI-AGIUHOORSA-N 2 0 228.380 1.229 20 0 BDADRP CC(C)SCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000423099766 387887941 /nfs/dbraw/zinc/88/79/41/387887941.db2.gz AYRKPPJCROVKPF-IJLUTSLNSA-N 2 0 246.420 1.470 20 0 BDADRP CCCN1CCC[C@H]1C[NH2+][C@H](C)CCCC[NH3+] ZINC000423103225 387889083 /nfs/dbraw/zinc/88/90/83/387889083.db2.gz FZLRKYXQPCSKBE-KGLIPLIRSA-N 3 0 241.423 1.968 20 0 BDADRP C[C@H]([NH2+]CCC1(F)CCC1)C1C[NH2+]C1 ZINC000423101181 387889229 /nfs/dbraw/zinc/88/92/29/387889229.db2.gz COYZKPUMCLWPKJ-VIFPVBQESA-N 2 0 200.301 1.466 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000423163795 387918210 /nfs/dbraw/zinc/91/82/10/387918210.db2.gz NKCVDOAHHVYEAK-NDBYEHHHSA-N 2 0 226.364 1.661 20 0 BDADRP CCC[C@H](C[NH2+][C@H](C)C[C@@H](C)[NH3+])OC ZINC000423142410 387918449 /nfs/dbraw/zinc/91/84/49/387918449.db2.gz AKBGJVLDILINTR-GMTAPVOTSA-N 2 0 202.342 1.517 20 0 BDADRP CCC[N@H+](CC)C[C@@H](C)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000423141909 387918584 /nfs/dbraw/zinc/91/85/84/387918584.db2.gz SJBCBHYYYCUREI-MCIONIFRSA-N 2 0 241.423 1.824 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCCOC1 ZINC000423119491 387900721 /nfs/dbraw/zinc/90/07/21/387900721.db2.gz CODPDARBERRPKO-WOPDTQHZSA-N 2 0 212.337 1.415 20 0 BDADRP CC(C)[N@@H+](C)C[C@H](C)N[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423120413 387901670 /nfs/dbraw/zinc/90/16/70/387901670.db2.gz GLBKPGAOWRIHRY-RWMBFGLXSA-N 2 0 227.396 1.445 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H](CO)C1)[C@H]1CCC[NH2+]1 ZINC000423125156 387903027 /nfs/dbraw/zinc/90/30/27/387903027.db2.gz NCMWIJAEARGBMI-IGQOVBAYSA-N 2 0 240.391 1.515 20 0 BDADRP COCC(C)(C)C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423123830 387903539 /nfs/dbraw/zinc/90/35/39/387903539.db2.gz FIGBBCICXFGZPD-NWDGAFQWSA-N 2 0 228.380 1.637 20 0 BDADRP CO[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)C1CC1 ZINC000423125824 387904552 /nfs/dbraw/zinc/90/45/52/387904552.db2.gz AKDFKBOJBVNVSN-GDKBPFBDSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@H](CO)CC1CCC1 ZINC000423126886 387904826 /nfs/dbraw/zinc/90/48/26/387904826.db2.gz JFQJSEAYEGJXED-AAEUAGOBSA-N 2 0 228.380 1.645 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](CO)CC1CCC1 ZINC000423126887 387905521 /nfs/dbraw/zinc/90/55/21/387905521.db2.gz JFQJSEAYEGJXED-DGCLKSJQSA-N 2 0 228.380 1.645 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCC1(F)CCC1 ZINC000423127305 387905752 /nfs/dbraw/zinc/90/57/52/387905752.db2.gz PFPGKQRXDLECKQ-ZJUUUORDSA-N 2 0 202.317 1.984 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)[C@H]1CCC[NH2+]1 ZINC000423130405 387906797 /nfs/dbraw/zinc/90/67/97/387906797.db2.gz SEDNGZQCUDNCLZ-LNFKQOIKSA-N 2 0 200.301 1.607 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000423130986 387908329 /nfs/dbraw/zinc/90/83/29/387908329.db2.gz HIZQBVKTZJGBOT-KGLIPLIRSA-N 3 0 239.407 1.722 20 0 BDADRP C1C[NH2+][C@H]([C@@H]2CCC[C@H]2[NH2+][C@H]2CCCOC2)C1 ZINC000423133117 387910012 /nfs/dbraw/zinc/91/00/12/387910012.db2.gz VLLHPIXBQIXUPB-XDQVBPFNSA-N 2 0 238.375 1.676 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]C[C@@H](CO)C1CCCCC1 ZINC000423135883 387913990 /nfs/dbraw/zinc/91/39/90/387913990.db2.gz OLDPVHZIZJRIRK-JSGCOSHPSA-N 2 0 242.407 1.892 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H](CO)C1CCCCC1 ZINC000423135884 387914246 /nfs/dbraw/zinc/91/42/46/387914246.db2.gz OLDPVHZIZJRIRK-OCCSQVGLSA-N 2 0 242.407 1.892 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@@H](CO)C1CCCCC1 ZINC000423138795 387916747 /nfs/dbraw/zinc/91/67/47/387916747.db2.gz UDTLETZVNUDORD-BFHYXJOUSA-N 2 0 240.391 1.645 20 0 BDADRP CC[C@H]([NH2+]C[C@H](CO)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423141222 387917527 /nfs/dbraw/zinc/91/75/27/387917527.db2.gz OPMNXTGGGZZYRC-AGIUHOORSA-N 2 0 226.364 1.125 20 0 BDADRP CC[C@@H]([NH2+]CCC1(CO)CC1)[C@@H]1CCC[NH2+]1 ZINC000423152906 387932130 /nfs/dbraw/zinc/93/21/30/387932130.db2.gz GJXUVMOKYHZDRW-NEPJUHHUSA-N 2 0 226.364 1.269 20 0 BDADRP CC[C@H]([NH2+]C1CCC(C[NH3+])CC1)[C@@H](C)O ZINC000423153936 387932415 /nfs/dbraw/zinc/93/24/15/387932415.db2.gz OELXQPQTYQUMQW-YYJSSNLHSA-N 2 0 214.353 1.253 20 0 BDADRP C[C@H]([NH2+]C[C@H](CO)C1CC1)[C@H]1CCCC[NH2+]1 ZINC000423142767 387920652 /nfs/dbraw/zinc/92/06/52/387920652.db2.gz VWJLEPXZGXRVHP-CYZMBNFOSA-N 2 0 226.364 1.125 20 0 BDADRP COC[C@](C)(O)CC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000423147946 387926198 /nfs/dbraw/zinc/92/61/98/387926198.db2.gz UCWWMTAPCFJLDG-FRRDWIJNSA-N 2 0 244.379 1.024 20 0 BDADRP CC(C)[C@@H]1C[C@H]1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000423149796 387927108 /nfs/dbraw/zinc/92/71/08/387927108.db2.gz IBQBUEXRZXPLSK-VOAKCMCISA-N 2 0 210.365 1.996 20 0 BDADRP CC[C@@H]([NH2+][C@H]1CC[C@@H](CO)C1)[C@H]1CCCC[NH2+]1 ZINC000423150107 387927279 /nfs/dbraw/zinc/92/72/79/387927279.db2.gz AXVAMKPXAACZGH-XJFOESAGSA-N 2 0 240.391 1.658 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CCC[C@H]1[NH3+])Cc1ccccc1 ZINC000423157269 387937548 /nfs/dbraw/zinc/93/75/48/387937548.db2.gz MJIFIOZBRMPQDZ-RRFJBIMHSA-N 2 0 248.370 1.714 20 0 BDADRP COc1cccnc1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000423159043 387938887 /nfs/dbraw/zinc/93/88/87/387938887.db2.gz FBIMOIIQZABEOH-NSHDSACASA-N 2 0 237.347 1.697 20 0 BDADRP Cc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[NH3+])nc1 ZINC000423158824 387939259 /nfs/dbraw/zinc/93/92/59/387939259.db2.gz DNMXTBLACVNNDO-CHWSQXEVSA-N 2 0 219.332 1.402 20 0 BDADRP O[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000423159284 387939323 /nfs/dbraw/zinc/93/93/23/387939323.db2.gz FPUABAIRCIDWRU-MEBFFEOJSA-N 2 0 238.375 1.410 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCC(C)(C)CO ZINC000423160024 387940710 /nfs/dbraw/zinc/94/07/10/387940710.db2.gz QHNVXTRJGNNUSU-NWDGAFQWSA-N 2 0 228.380 1.373 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000423160491 387941075 /nfs/dbraw/zinc/94/10/75/387941075.db2.gz HLZRYGDGBXNRJV-RVMXOQNASA-N 2 0 226.364 1.532 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000423159757 387941149 /nfs/dbraw/zinc/94/11/49/387941149.db2.gz GGBSONZHUJGTER-VOAKCMCISA-N 2 0 208.349 1.750 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)[C@@H]1CCC[NH2+]1 ZINC000423161325 387942657 /nfs/dbraw/zinc/94/26/57/387942657.db2.gz IYIKNKUVERORLK-ZDEQEGDKSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@H](CCC[NH3+])[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000423162284 387944492 /nfs/dbraw/zinc/94/44/92/387944492.db2.gz OZKKJEQVSPKXOL-OLZOCXBDSA-N 2 0 226.364 1.616 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@H+](CCC[C@@H]2CCOC2)C1 ZINC000645802428 387945224 /nfs/dbraw/zinc/94/52/24/387945224.db2.gz MVTPCVHTVDMUBU-KGLIPLIRSA-N 2 0 240.391 1.687 20 0 BDADRP CO[C@@H]([C@H](C)[NH2+][C@@H](C)C[C@H](C)[NH3+])C1CC1 ZINC000423163944 387946784 /nfs/dbraw/zinc/94/67/84/387946784.db2.gz RVZPCVWZTHHEBS-GMOBBJLQSA-N 2 0 214.353 1.515 20 0 BDADRP CCn1cc([C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cn1 ZINC000423164935 387947681 /nfs/dbraw/zinc/94/76/81/387947681.db2.gz UBVPSOOXTFZHCT-YPMHNXCESA-N 2 0 236.363 1.696 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CCN1CCCC1(C)C ZINC000423165006 387948636 /nfs/dbraw/zinc/94/86/36/387948636.db2.gz PGWLQGBABBTMDW-LBPRGKRZSA-N 2 0 227.396 1.578 20 0 BDADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000423164677 387948653 /nfs/dbraw/zinc/94/86/53/387948653.db2.gz OSOIMYLURCYHLX-IGQOVBAYSA-N 2 0 240.391 1.920 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000423167065 387949695 /nfs/dbraw/zinc/94/96/95/387949695.db2.gz WDZOKLLONBHSJY-IGQOVBAYSA-N 2 0 240.391 1.645 20 0 BDADRP CCOCC[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424298324 387958053 /nfs/dbraw/zinc/95/80/53/387958053.db2.gz UKVMRTPIGNINGR-LBPRGKRZSA-N 2 0 226.364 1.487 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC000423172955 387959502 /nfs/dbraw/zinc/95/95/02/387959502.db2.gz WCLFXXPBXNESNO-RDBSUJKOSA-N 3 0 239.407 1.435 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2C[NH3+])C12CCC2 ZINC000423172846 387960139 /nfs/dbraw/zinc/96/01/39/387960139.db2.gz VQJRZUFFRKIGOZ-FVCCEPFGSA-N 2 0 238.375 1.661 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2([NH3+])CCCCC2)[C@H](C)O1 ZINC000423176607 387962040 /nfs/dbraw/zinc/96/20/40/387962040.db2.gz HGDWZIFVHBZAJI-WOPDTQHZSA-N 2 0 226.364 1.804 20 0 BDADRP CC(C)O[C@@H]1C[C@@H]([NH2+]CCC[NH3+])C1(C)C ZINC000423179387 387965112 /nfs/dbraw/zinc/96/51/12/387965112.db2.gz CZUSIIDHORQBSF-GHMZBOCLSA-N 2 0 214.353 1.517 20 0 BDADRP CC[C@H]([NH2+][C@H]1CCC[C@@H](CO)C1)[C@@H]1CCC[NH2+]1 ZINC000423179765 387966571 /nfs/dbraw/zinc/96/65/71/387966571.db2.gz KCSGHMIURRYGHI-RFGFWPKPSA-N 2 0 240.391 1.658 20 0 BDADRP C[C@H]([NH2+]CCC[NH3+])c1ccc(F)cc1N(C)C ZINC000423181132 387967944 /nfs/dbraw/zinc/96/79/44/387967944.db2.gz FRFATCVBXOEKIM-JTQLQIEISA-N 2 0 239.338 1.891 20 0 BDADRP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)[C@@H]1CCCO1 ZINC000423181282 387968525 /nfs/dbraw/zinc/96/85/25/387968525.db2.gz OQDPSUPPYYXJLU-NEPJUHHUSA-N 2 0 226.364 1.805 20 0 BDADRP c1coc([C@@H]2C[C@H]2[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000423185622 387969614 /nfs/dbraw/zinc/96/96/14/387969614.db2.gz NZCFFZFYEGQGEH-IJLUTSLNSA-N 2 0 220.316 1.867 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1F)C1C[NH2+]C1 ZINC000423187434 387970797 /nfs/dbraw/zinc/97/07/97/387970797.db2.gz PLYVRZOOKPZQHM-JMJZKYOTSA-N 2 0 200.301 1.465 20 0 BDADRP C[C@@H]([NH2+]CCC[NH3+])c1cccc(CO)c1 ZINC000423195183 387979482 /nfs/dbraw/zinc/97/94/82/387979482.db2.gz SLTQEZOSZAJJKW-SNVBAGLBSA-N 2 0 208.305 1.178 20 0 BDADRP [NH3+]CCN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424329347 387975460 /nfs/dbraw/zinc/97/54/60/387975460.db2.gz GBQHBKXELXVIOL-LSDHHAIUSA-N 2 0 245.370 1.151 20 0 BDADRP [NH3+]CCC[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000423192595 387977834 /nfs/dbraw/zinc/97/78/34/387977834.db2.gz PTHYANITMKBCLN-RWMBFGLXSA-N 2 0 226.364 1.520 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)O1 ZINC000423204493 387989685 /nfs/dbraw/zinc/98/96/85/387989685.db2.gz BAFREBWHTDHARV-FXMAPVFUSA-N 2 0 224.348 1.425 20 0 BDADRP C[NH2+]CCCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000423205085 387991135 /nfs/dbraw/zinc/99/11/35/387991135.db2.gz VGBOLNCYDCUUFC-XQQFMLRXSA-N 2 0 225.380 1.058 20 0 BDADRP C[NH2+]CCCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000423205084 387991939 /nfs/dbraw/zinc/99/19/39/387991939.db2.gz VGBOLNCYDCUUFC-UPJWGTAASA-N 2 0 225.380 1.058 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN[C@@H]1CCCC[C@H]1[NH3+] ZINC000424368204 387992418 /nfs/dbraw/zinc/99/24/18/387992418.db2.gz PFGXUAFCJYTHMB-IJLUTSLNSA-N 2 0 213.369 1.219 20 0 BDADRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccsc1 ZINC000423208310 387993230 /nfs/dbraw/zinc/99/32/30/387993230.db2.gz SUBVIARCEBCZMW-NSHDSACASA-N 2 0 239.388 1.304 20 0 BDADRP OCC[N@H+](CCC[NH+]1CCCCC1)C1CCC1 ZINC000439300610 387993526 /nfs/dbraw/zinc/99/35/26/387993526.db2.gz ZFCMOGUJEPJGJJ-UHFFFAOYSA-N 2 0 240.391 1.709 20 0 BDADRP C[C@H]([NH2+]CC1CC(F)(F)C1)[C@H]1CCC[NH2+]1 ZINC000400518920 387995421 /nfs/dbraw/zinc/99/54/21/387995421.db2.gz GTPSUJAKQJFEPO-WCBMZHEXSA-N 2 0 218.291 1.762 20 0 BDADRP C[C@@H]([NH3+])[C@H](C)c1nc(C2([NH3+])CCCCC2)no1 ZINC000424340736 387982353 /nfs/dbraw/zinc/98/23/53/387982353.db2.gz HITHXXVGQQYIKN-DTWKUNHWSA-N 2 0 238.335 1.638 20 0 BDADRP C[NH2+]CCC[NH2+][C@H](C)[C@@H](OC)c1ccccc1 ZINC000423197845 387984077 /nfs/dbraw/zinc/98/40/77/387984077.db2.gz BLXBPUNAOHKQGM-TZMCWYRMSA-N 2 0 236.359 1.962 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000423198859 387984594 /nfs/dbraw/zinc/98/45/94/387984594.db2.gz IIPVJZZUKYWWGN-NSHDSACASA-N 2 0 234.343 1.977 20 0 BDADRP FCCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[NH2+]C1 ZINC000423215133 387997293 /nfs/dbraw/zinc/99/72/93/387997293.db2.gz NLKILTPBWONLSC-SDDRHHMPSA-N 2 0 214.328 1.856 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])[C@@H]1CCOC1 ZINC000424370900 387997557 /nfs/dbraw/zinc/99/75/57/387997557.db2.gz DYYAJPBJUJIDGE-FVCCEPFGSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@@H](NC[C@@H]1CCC[NH2+]C1)[C@H]1CCCC[NH2+]1 ZINC000423214868 387997729 /nfs/dbraw/zinc/99/77/29/387997729.db2.gz PUGYRBNEUYADPU-JHJVBQTASA-N 2 0 225.380 1.106 20 0 BDADRP C(C[N@H+]1C[C@H]2CCC[C@@H](C1)N2)[C@@H]1CCC[NH2+]C1 ZINC000420406562 387999447 /nfs/dbraw/zinc/99/94/47/387999447.db2.gz UPUOGCYILAYHQV-MELADBBJSA-N 2 0 237.391 1.202 20 0 BDADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000423221688 388001550 /nfs/dbraw/zinc/00/15/50/388001550.db2.gz XQOCZJYYHVVVBH-XDQVBPFNSA-N 2 0 239.407 1.304 20 0 BDADRP C[C@@H](Cc1ccoc1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423221444 388001857 /nfs/dbraw/zinc/00/18/57/388001857.db2.gz ZWAYDMRHTGEFOY-AAEUAGOBSA-N 2 0 222.332 1.800 20 0 BDADRP Cc1cncc([C@H](C)[NH2+]CC[C@H](C)[NH3+])c1 ZINC000423224745 388008355 /nfs/dbraw/zinc/00/83/55/388008355.db2.gz KCRSSGRXPXIEJB-QWRGUYRKSA-N 2 0 207.321 1.778 20 0 BDADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCC[C@H](C)[NH3+] ZINC000423225880 388009702 /nfs/dbraw/zinc/00/97/02/388009702.db2.gz OPMMCSZEBOBWSW-OUCADQQQSA-N 2 0 235.375 1.272 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+]C[C@H](C)COC)C1 ZINC000309671744 388010916 /nfs/dbraw/zinc/01/09/16/388010916.db2.gz WFZZUAOJLDDSHW-QWHCGFSZSA-N 2 0 228.380 1.590 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000424372374 387996373 /nfs/dbraw/zinc/99/63/73/387996373.db2.gz GXOMAVRUVZSUSG-LBELIVKGSA-N 2 0 208.349 1.763 20 0 BDADRP CCN(CC[NH2+][C@H](C)CCOC)C(C)C ZINC000156640930 388012615 /nfs/dbraw/zinc/01/26/15/388012615.db2.gz YBXSHBKZMKOMAG-GFCCVEGCSA-N 2 0 216.369 1.731 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@@H]1CCC[NH2+]1 ZINC000423229384 388015618 /nfs/dbraw/zinc/01/56/18/388015618.db2.gz BCEGHWRUOSGYHV-NDBYEHHHSA-N 2 0 225.380 1.057 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423230871 388015646 /nfs/dbraw/zinc/01/56/46/388015646.db2.gz FMLLWODLBMXIGT-XQQFMLRXSA-N 2 0 226.364 1.533 20 0 BDADRP C[NH+](C)CCOCC[NH2+][C@H](C1CC1)C1CCC1 ZINC000453227605 388015812 /nfs/dbraw/zinc/01/58/12/388015812.db2.gz RVYBMIAMOGVKQZ-AWEZNQCLSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@H]1NC[C@@H]([NH3+])c1ccccc1 ZINC000423233612 388019482 /nfs/dbraw/zinc/01/94/82/388019482.db2.gz DVEWCZDDYQWVNT-MRVWCRGKSA-N 2 0 233.359 1.226 20 0 BDADRP C[C@@H]1C[C@H](NC[C@H]([NH3+])c2ccccc2)CC[N@@H+]1C ZINC000423253657 388035572 /nfs/dbraw/zinc/03/55/72/388035572.db2.gz ZGUCUVSIMQVVQP-YUELXQCFSA-N 2 0 247.386 1.759 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccn(C)n1 ZINC000423255626 388036377 /nfs/dbraw/zinc/03/63/77/388036377.db2.gz AKHHDPNJLBFJQV-NEPJUHHUSA-N 2 0 236.363 1.460 20 0 BDADRP C[NH2+]C[C@H](C)CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423256394 388036932 /nfs/dbraw/zinc/03/69/32/388036932.db2.gz BUVYLFJSVAGMPD-BPNCWPANSA-N 2 0 233.359 1.576 20 0 BDADRP COCCC[C@@H](C)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423258879 388039354 /nfs/dbraw/zinc/03/93/54/388039354.db2.gz MYPVTQGCBGARSL-CHWSQXEVSA-N 2 0 228.380 1.781 20 0 BDADRP CC(C)C[C@H](C[NH3+])N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000423264266 388042761 /nfs/dbraw/zinc/04/27/61/388042761.db2.gz PRTNANDUMCWNTP-YRGRVCCFSA-N 2 0 239.407 1.432 20 0 BDADRP CC[C@H]([NH2+]C[C@H](C)C[NH2+]C)[C@H]1CCOC1 ZINC000423266099 388043489 /nfs/dbraw/zinc/04/34/89/388043489.db2.gz CTBUPHSHZMZNSS-WOPDTQHZSA-N 2 0 214.353 1.247 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423244980 388028746 /nfs/dbraw/zinc/02/87/46/388028746.db2.gz IGTDZHKWGXYCCX-AAVRWANBSA-N 3 0 239.407 1.304 20 0 BDADRP C[C@H](Cc1ccoc1)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423247914 388029752 /nfs/dbraw/zinc/02/97/52/388029752.db2.gz MEIUMHOIPFGERX-NEPJUHHUSA-N 2 0 222.332 1.800 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)[C@@H](C)O1 ZINC000423246007 388030529 /nfs/dbraw/zinc/03/05/29/388030529.db2.gz JOFHCTHDWOIQCK-KKOKHZNYSA-N 2 0 212.337 1.142 20 0 BDADRP CC[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423249986 388031503 /nfs/dbraw/zinc/03/15/03/388031503.db2.gz PSJAAYMBUCKVGE-UPJWGTAASA-N 3 0 225.380 1.106 20 0 BDADRP Cc1nccnc1[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423274406 388054560 /nfs/dbraw/zinc/05/45/60/388054560.db2.gz KIZFMCMGVGAYHJ-YNEHKIRRSA-N 2 0 248.374 1.953 20 0 BDADRP COC[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)C(C)C ZINC000423274186 388055253 /nfs/dbraw/zinc/05/52/53/388055253.db2.gz LNURKHDFWUUESR-MNOVXSKESA-N 2 0 202.342 1.230 20 0 BDADRP C[C@@H]1CSCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000261527743 135152049 /nfs/dbraw/zinc/15/20/49/135152049.db2.gz GOPGYDPRZAEDMZ-VIFPVBQESA-N 2 0 202.367 1.409 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)[C@H]1CCCC[NH2+]1 ZINC000423275218 388056676 /nfs/dbraw/zinc/05/66/76/388056676.db2.gz MXMAMTUOJHTFFA-MGPQQGTHSA-N 3 0 239.407 1.496 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000453362443 388060254 /nfs/dbraw/zinc/06/02/54/388060254.db2.gz RFFNKVPHQKLESH-CRWXNKLISA-N 2 0 240.391 1.467 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]([NH3+])C(C)C ZINC000423281966 388063018 /nfs/dbraw/zinc/06/30/18/388063018.db2.gz VOYXCANMLDQYRV-XQQFMLRXSA-N 2 0 228.380 1.765 20 0 BDADRP CC(C)[C@@H]([NH3+])CN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423282264 388065372 /nfs/dbraw/zinc/06/53/72/388065372.db2.gz VRNQCYXQEQWGOZ-SDDRHHMPSA-N 2 0 213.369 1.090 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000423284246 388067480 /nfs/dbraw/zinc/06/74/80/388067480.db2.gz WTVBCWRFRZDVIV-GRYCIOLGSA-N 3 0 213.369 1.221 20 0 BDADRP C[NH2+]C[C@H](C)CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000423285407 388069895 /nfs/dbraw/zinc/06/98/95/388069895.db2.gz ZMTSQMIMEBELPP-REWJHTLYSA-N 2 0 239.407 1.304 20 0 BDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453398161 388070777 /nfs/dbraw/zinc/07/07/77/388070777.db2.gz KGMQPTSGPNHIGX-OCCSQVGLSA-N 2 0 239.407 1.401 20 0 BDADRP CCC([NH3+])(CC)C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000423286850 388070799 /nfs/dbraw/zinc/07/07/99/388070799.db2.gz JCUHDZSZNOJJBW-GHMZBOCLSA-N 2 0 214.353 1.661 20 0 BDADRP CC(C)([NH3+])CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423288540 388072901 /nfs/dbraw/zinc/07/29/01/388072901.db2.gz SQRLUKNGWLDSTP-RWMBFGLXSA-N 2 0 239.407 1.624 20 0 BDADRP COC[C@H]([NH2+]CCCC[N@H+](C)C1CC1)C1CC1 ZINC000453402821 388073820 /nfs/dbraw/zinc/07/38/20/388073820.db2.gz NYDKSRVNCKOPEJ-AWEZNQCLSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cn1 ZINC000084221726 388074979 /nfs/dbraw/zinc/07/49/79/388074979.db2.gz VCKJGWHCNOEEHO-CHWSQXEVSA-N 2 0 219.332 1.607 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCOC1CCCC1 ZINC000084222078 388075394 /nfs/dbraw/zinc/07/53/94/388075394.db2.gz NIHQFJTZPGDDDD-AAEUAGOBSA-N 2 0 226.364 1.663 20 0 BDADRP C[N@H+](CCCC[NH2+][C@H]1CCSC1)C1CC1 ZINC000453409404 388075979 /nfs/dbraw/zinc/07/59/79/388075979.db2.gz UBSBVDVKDVTEOQ-NSHDSACASA-N 2 0 228.405 1.956 20 0 BDADRP CCC([NH3+])(CC)CN[C@H](C)C[C@H](C)[NH3+] ZINC000423294322 388077718 /nfs/dbraw/zinc/07/77/18/388077718.db2.gz UAJXFWMZJOOSPA-VHSXEESVSA-N 2 0 201.358 1.219 20 0 BDADRP CC[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)OC ZINC000336659229 388082856 /nfs/dbraw/zinc/08/28/56/388082856.db2.gz IYKDDJLESCUBBV-JHJVBQTASA-N 2 0 226.364 1.628 20 0 BDADRP CC[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)OC ZINC000336659232 388083399 /nfs/dbraw/zinc/08/33/99/388083399.db2.gz IYKDDJLESCUBBV-YNEHKIRRSA-N 2 0 226.364 1.628 20 0 BDADRP Cc1n[nH]cc1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453596971 388088824 /nfs/dbraw/zinc/08/88/24/388088824.db2.gz MQIJRNGHCOQXGH-UHFFFAOYSA-N 2 0 236.363 1.682 20 0 BDADRP COC1CC([NH2+]CCCC[N@H+](C)C2CC2)C1 ZINC000453600300 388090435 /nfs/dbraw/zinc/09/04/35/388090435.db2.gz SQYOXDJTWFZGFR-UHFFFAOYSA-N 2 0 226.364 1.628 20 0 BDADRP CC(C)(C)[NH+]1CCC(N[C@H]2CC[NH2+]C2)CC1 ZINC000086728842 388107680 /nfs/dbraw/zinc/10/76/80/388107680.db2.gz DBYNVBSGUFORGO-LBPRGKRZSA-N 2 0 225.380 1.201 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@H](O)C1CCC1 ZINC000643493530 388109347 /nfs/dbraw/zinc/10/93/47/388109347.db2.gz VFAPUHXEJKPVCE-AGIUHOORSA-N 2 0 226.364 1.397 20 0 BDADRP CC[C@@H]([NH2+]C[C@H](C)C[NH2+]C)c1ccncc1 ZINC000423269501 388049317 /nfs/dbraw/zinc/04/93/17/388049317.db2.gz GZFQPBSNCOBWIZ-DGCLKSJQSA-N 2 0 221.348 1.978 20 0 BDADRP C[N@H+](C[C@@H]1CCC[NH2+]C1)[C@H]1CCSC1 ZINC000250354308 388174631 /nfs/dbraw/zinc/17/46/31/388174631.db2.gz BHQASQCQSITTFV-MNOVXSKESA-N 2 0 214.378 1.423 20 0 BDADRP C[N@H+](C[C@@]1(C)CC[NH2+]C1)[C@H]1CCSC1 ZINC000250807218 388186558 /nfs/dbraw/zinc/18/65/58/388186558.db2.gz RSARKQKEBHRUND-QWRGUYRKSA-N 2 0 214.378 1.423 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000449665136 388250205 /nfs/dbraw/zinc/25/02/05/388250205.db2.gz MQNUOZFQLYYJNY-CQSZACIVSA-N 2 0 247.342 1.746 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000449680523 388251253 /nfs/dbraw/zinc/25/12/53/388251253.db2.gz BZSUCJGPLSCWLN-WCQYABFASA-N 2 0 241.379 1.152 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCCN1CCCO)C1CC1 ZINC000449387918 388190617 /nfs/dbraw/zinc/19/06/17/388190617.db2.gz NMPLBVQCUIGHII-YPMHNXCESA-N 2 0 226.364 1.221 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000449549428 388229724 /nfs/dbraw/zinc/22/97/24/388229724.db2.gz XWGHSAXDMTZTRR-WDEREUQCSA-N 2 0 229.368 1.008 20 0 BDADRP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CCC1(CO)CC1 ZINC000449579671 388237732 /nfs/dbraw/zinc/23/77/32/388237732.db2.gz IRBASXJKYVJZEP-AAEUAGOBSA-N 2 0 238.375 1.221 20 0 BDADRP C[C@@H](C(=O)N[C@@H](C)[C@H](C)[NH3+])[C@@H]([NH3+])c1ccccc1 ZINC000449597075 388239702 /nfs/dbraw/zinc/23/97/02/388239702.db2.gz YQEBIFGUYBKMOU-MPPDQPJWSA-N 2 0 249.358 1.174 20 0 BDADRP COc1ccc([C@H](C)N[C@H](C)C[NH3+])cc1OC ZINC000234860332 388361588 /nfs/dbraw/zinc/36/15/88/388361588.db2.gz YEDMMRUDZMSTSX-ZJUUUORDSA-N 2 0 238.331 1.702 20 0 BDADRP CC[NH2+]CC1CC[NH+](C[C@@H](C)COC)CC1 ZINC000163550755 388363991 /nfs/dbraw/zinc/36/39/91/388363991.db2.gz DYRGPQHKUKXQGA-GFCCVEGCSA-N 2 0 228.380 1.590 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)C(C)(C)C[NH3+])c1 ZINC000237104999 388390172 /nfs/dbraw/zinc/39/01/72/388390172.db2.gz QDQRFOUPAFCSDW-UHFFFAOYSA-N 2 0 235.331 1.329 20 0 BDADRP C[N@H+](CCNC(=O)CCC[NH3+])C1CCCCC1 ZINC000237141967 388390964 /nfs/dbraw/zinc/39/09/64/388390964.db2.gz XUYZLINILXUBPM-UHFFFAOYSA-N 2 0 241.379 1.106 20 0 BDADRP CCCN1CCC[C@H]1C[NH2+][C@H]1CCO[C@@H]1C ZINC000393796630 388442935 /nfs/dbraw/zinc/44/29/35/388442935.db2.gz PHZNSNASYPYCJU-AGIUHOORSA-N 2 0 226.364 1.628 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2O)[C@@H](C)C1 ZINC000309674172 388460634 /nfs/dbraw/zinc/46/06/34/388460634.db2.gz XEJNGIGRZMELJT-WUHRBBMRSA-N 2 0 226.364 1.220 20 0 BDADRP COCCC[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397350028 388461280 /nfs/dbraw/zinc/46/12/80/388461280.db2.gz ZQSUFYQGTVFYBI-WOPDTQHZSA-N 2 0 214.353 1.328 20 0 BDADRP CC[C@@H](C[NH2+][C@@H](C)CCCC[NH3+])OC ZINC000336697591 388464702 /nfs/dbraw/zinc/46/47/02/388464702.db2.gz UTEPEKSGAOGLTQ-QWRGUYRKSA-N 2 0 202.342 1.519 20 0 BDADRP Cc1[nH+]ccc(NC[C@H](C)[NH+](C)C)c1Cl ZINC000336711042 388466397 /nfs/dbraw/zinc/46/63/97/388466397.db2.gz UFNPAUKGGGKGRQ-QMMMGPOBSA-N 2 0 227.739 1.827 20 0 BDADRP C([NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)C12CCC(CC1)C2 ZINC000649253091 388470455 /nfs/dbraw/zinc/47/04/55/388470455.db2.gz HYCASZSEYRJFDZ-CEUNDQEZSA-N 2 0 220.360 1.718 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[C@H](C[NH3+])C2)cc1 ZINC000646669932 388410283 /nfs/dbraw/zinc/41/02/83/388410283.db2.gz HDGQVUVPCRGFDU-GHMZBOCLSA-N 2 0 247.342 1.127 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[C@@H](C[NH3+])C2)cc1 ZINC000646669933 388410290 /nfs/dbraw/zinc/41/02/90/388410290.db2.gz HDGQVUVPCRGFDU-MNOVXSKESA-N 2 0 247.342 1.127 20 0 BDADRP CCOCC[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000261538727 135176552 /nfs/dbraw/zinc/17/65/52/135176552.db2.gz ZCDDJQRWQUUQBB-NEPJUHHUSA-N 2 0 214.353 1.343 20 0 BDADRP NC[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000573075977 388417884 /nfs/dbraw/zinc/41/78/84/388417884.db2.gz SYJMLXRLEKPOTF-TZMCWYRMSA-N 2 0 239.407 1.483 20 0 BDADRP C[C@]1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCOC1 ZINC000339075576 388479395 /nfs/dbraw/zinc/47/93/95/388479395.db2.gz PKHIRWCOAYHIIC-MELADBBJSA-N 2 0 238.375 1.629 20 0 BDADRP CC[C@](C)(C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)OC ZINC000322491558 388435815 /nfs/dbraw/zinc/43/58/15/388435815.db2.gz CFGBNIWWMXILIK-YNEHKIRRSA-N 2 0 228.380 1.874 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000352558863 388537532 /nfs/dbraw/zinc/53/75/32/388537532.db2.gz ZWVAIWNRMSQHGB-RDBSUJKOSA-N 2 0 240.391 1.754 20 0 BDADRP C[C@@H]([NH3+])CC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000646805969 388538834 /nfs/dbraw/zinc/53/88/34/388538834.db2.gz SMLWIAPYGCQSBT-ZJUUUORDSA-N 2 0 235.331 1.060 20 0 BDADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@H]1CC1(C)C ZINC000397594459 388482309 /nfs/dbraw/zinc/48/23/09/388482309.db2.gz COASDONWYIQMNK-VXGBXAGGSA-N 2 0 240.391 1.467 20 0 BDADRP CC[NH+](CC)CCC[N@H+](CC)[C@@H](C)CO ZINC000339626980 388486306 /nfs/dbraw/zinc/48/63/06/388486306.db2.gz KFDXPKBWRRBGQR-LBPRGKRZSA-N 2 0 216.369 1.421 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000340490008 388492084 /nfs/dbraw/zinc/49/20/84/388492084.db2.gz TWAAIWXRGDHOLC-BFHYXJOUSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@H]([NH2+]CC1CCOCC1)[C@H]1CCC[NH2+]1 ZINC000400668768 256795434 /nfs/dbraw/zinc/79/54/34/256795434.db2.gz UBKUJKHUKNUUCS-CMPLNLGQSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H](CCO)CC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000397787274 388498910 /nfs/dbraw/zinc/49/89/10/388498910.db2.gz RDUAVVDWTREICH-YNEHKIRRSA-N 2 0 228.380 1.502 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCC1([NH+](C)C)CC1 ZINC000397802284 388500369 /nfs/dbraw/zinc/50/03/69/388500369.db2.gz CWPXIRJMHNUOLI-JHJVBQTASA-N 2 0 239.407 1.399 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CSC[C@@H]1C ZINC000397805623 388501086 /nfs/dbraw/zinc/50/10/86/388501086.db2.gz NAJVBDMVTFMLSV-GARJFASQSA-N 2 0 232.393 1.081 20 0 BDADRP CN(CCC[NH3+])C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000646782053 388502122 /nfs/dbraw/zinc/50/21/22/388502122.db2.gz BWEQYVBPHOBGEJ-GFCCVEGCSA-N 2 0 241.379 1.058 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2=CC[N@H+](C)CC2)CN1C1CC1 ZINC000344308496 388505997 /nfs/dbraw/zinc/50/59/97/388505997.db2.gz YTPAZAWHDNYXON-OCCSQVGLSA-N 2 0 249.402 1.463 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CSC[C@H]1C ZINC000397986550 388513564 /nfs/dbraw/zinc/51/35/64/388513564.db2.gz MRYKGCOTKFSGNP-GMTAPVOTSA-N 2 0 216.394 1.845 20 0 BDADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]CCC(N)=O ZINC000516921892 388523586 /nfs/dbraw/zinc/52/35/86/388523586.db2.gz UWUJILIJVSOTAE-GFCCVEGCSA-N 2 0 241.379 1.106 20 0 BDADRP CC[C@H]1CC[C@@H](C)[N@@H+]1CCOCC[NH3+] ZINC000136250702 388528232 /nfs/dbraw/zinc/52/82/32/388528232.db2.gz NCTYCWHIQAYBIX-MNOVXSKESA-N 2 0 200.326 1.225 20 0 BDADRP Cc1ccc(CCC[N@@H+]2CCC[C@H](C[NH3+])C2)cn1 ZINC000517030087 388533105 /nfs/dbraw/zinc/53/31/05/388533105.db2.gz NBGAEDUZEIDJEV-OAHLLOKOSA-N 2 0 247.386 1.993 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@](C)(O)C1 ZINC000245570701 388590812 /nfs/dbraw/zinc/59/08/12/388590812.db2.gz GOHGRIBFTPUJTC-OLZOCXBDSA-N 2 0 226.364 1.318 20 0 BDADRP CO[C@@H](C[N@@H+]1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000379221208 388600159 /nfs/dbraw/zinc/60/01/59/388600159.db2.gz PVBSCTATORFXQW-JSGCOSHPSA-N 2 0 234.343 1.655 20 0 BDADRP C[C@@H](C[N@H+](C)CCOCC[NH3+])c1ccccc1 ZINC000357084602 388552648 /nfs/dbraw/zinc/55/26/48/388552648.db2.gz RSZYHPNDOHWUDT-ZDUSSCGKSA-N 2 0 236.359 1.697 20 0 BDADRP C[C@H](NCC[C@H]1CCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC000517712903 388556898 /nfs/dbraw/zinc/55/68/98/388556898.db2.gz QEHOFGURYGXELK-RWMBFGLXSA-N 2 0 225.380 1.106 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@@H]1CC[NH+](C)C[C@H]1C ZINC000359644404 388557049 /nfs/dbraw/zinc/55/70/49/388557049.db2.gz ZZKJQFTUOHHEOJ-ZIAGYGMSSA-N 2 0 241.423 1.647 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000137438116 388560867 /nfs/dbraw/zinc/56/08/67/388560867.db2.gz UCEJQZSSGDBJCG-OLZOCXBDSA-N 2 0 248.374 1.346 20 0 BDADRP CC[C@@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000367615124 388565516 /nfs/dbraw/zinc/56/55/16/388565516.db2.gz JXQJRZLVWVEMIZ-WUHRBBMRSA-N 2 0 226.364 1.220 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H](O)Cc2ccccc2)C1 ZINC000521271337 388568400 /nfs/dbraw/zinc/56/84/00/388568400.db2.gz GQYMPYXRLDRSHO-RBSFLKMASA-N 2 0 248.370 1.450 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@@H]2CCSC2)C1 ZINC000224613811 388667482 /nfs/dbraw/zinc/66/74/82/388667482.db2.gz CBVLBBYWTZOBLK-SRVKXCTJSA-N 2 0 228.405 1.799 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[C@@H]2F)C1 ZINC000522014317 388674891 /nfs/dbraw/zinc/67/48/91/388674891.db2.gz RYMGLNWJUBUONJ-CHWFTXMASA-N 2 0 200.301 1.737 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](C)OC)C1 ZINC000248436950 388680335 /nfs/dbraw/zinc/68/03/35/388680335.db2.gz SHSOXAKXSQBCLE-RYUDHWBXSA-N 2 0 214.353 1.295 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2CC[NH2+]C23CCC3)C[N@@H+]1C1CC1 ZINC000530179948 388622967 /nfs/dbraw/zinc/62/29/67/388622967.db2.gz ZAEJYUAEVZIECD-MBNYWOFBSA-N 2 0 249.402 1.486 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CCCOC1 ZINC000530210988 388627559 /nfs/dbraw/zinc/62/75/59/388627559.db2.gz KVQXBOZTANSRAC-TUAOUCFPSA-N 2 0 212.337 1.273 20 0 BDADRP C[C@@H](N[C@H]1CC[NH2+]C12CCC2)c1c[nH+]ccc1N ZINC000530215215 388628676 /nfs/dbraw/zinc/62/86/76/388628676.db2.gz FKCTXUFDGQYPSP-MFKMUULPSA-N 2 0 246.358 1.429 20 0 BDADRP C[C@@H](N[C@H]1CC[NH2+]C12CCC2)[C@@H]1CCC[NH2+]1 ZINC000530215874 388629093 /nfs/dbraw/zinc/62/90/93/388629093.db2.gz JVIIZJCKGIEKLG-WOPDTQHZSA-N 2 0 223.364 1.001 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)[C@H]1C[C@H]1C ZINC000530216468 388629847 /nfs/dbraw/zinc/62/98/47/388629847.db2.gz PDVIIQJZFPALBC-RHYQMDGZSA-N 2 0 208.349 1.905 20 0 BDADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[NH3+])cn1 ZINC000530218105 388630298 /nfs/dbraw/zinc/63/02/98/388630298.db2.gz FDSDLAGQZBNMAC-NWDGAFQWSA-N 2 0 235.331 1.102 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000530217047 388630940 /nfs/dbraw/zinc/63/09/40/388630940.db2.gz RVTXAMBJAZUAPJ-FRRDWIJNSA-N 2 0 237.391 1.521 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)C1CCOCC1 ZINC000530221196 388633172 /nfs/dbraw/zinc/63/31/72/388633172.db2.gz OTNAFIFMJNTGMF-DGCLKSJQSA-N 2 0 238.375 1.676 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)[C@H]1CCOC1 ZINC000530223524 388634279 /nfs/dbraw/zinc/63/42/79/388634279.db2.gz SQUOGZFMKWBKKA-SRVKXCTJSA-N 2 0 224.348 1.286 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+][C@@]12C[C@@H]1COC2(C)C ZINC000530243229 388637972 /nfs/dbraw/zinc/63/79/72/388637972.db2.gz FZKVFLODAWQHJL-MDZLAQPJSA-N 2 0 226.364 1.517 20 0 BDADRP CC[C@H](O)CC[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000246907795 388654952 /nfs/dbraw/zinc/65/49/52/388654952.db2.gz FODIPNPJHKUMQB-FRRDWIJNSA-N 2 0 228.380 1.467 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247075111 388658938 /nfs/dbraw/zinc/65/89/38/388658938.db2.gz QJLZJUBUBXQEIY-IHRRRGAJSA-N 2 0 241.423 1.789 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@H](C)COC)C1 ZINC000249948403 388735658 /nfs/dbraw/zinc/73/56/58/388735658.db2.gz USMVYLLRWOPXOT-QWHCGFSZSA-N 2 0 228.380 1.590 20 0 BDADRP C[C@H]1C[C@@H](NCC[NH+]2CCCCC2)CC[N@@H+]1C ZINC000128218469 388740826 /nfs/dbraw/zinc/74/08/26/388740826.db2.gz YUVQGINIXMYXRM-KBPBESRZSA-N 2 0 239.407 1.545 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCOc1ccccc1 ZINC000128283716 388744368 /nfs/dbraw/zinc/74/43/68/388744368.db2.gz QXFSWXYKJWRIFG-HIFRSBDPSA-N 2 0 248.370 1.995 20 0 BDADRP CC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C1CC1 ZINC000227799464 388757892 /nfs/dbraw/zinc/75/78/92/388757892.db2.gz LIDZIEVPQYDDPB-GJZGRUSLSA-N 2 0 248.370 1.402 20 0 BDADRP CC[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000126350279 388695320 /nfs/dbraw/zinc/69/53/20/388695320.db2.gz JEFBUAAHNVGYDD-KGLIPLIRSA-N 2 0 240.391 1.733 20 0 BDADRP CCC[N@@H+]1CC[C@@H](C[NH2+]CC2=CCCOC2)C1 ZINC000126739824 388700355 /nfs/dbraw/zinc/70/03/55/388700355.db2.gz YHPIPTBYEPDXIH-ZDUSSCGKSA-N 2 0 238.375 1.655 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](CC[C@H]2CCCO2)C1 ZINC000249489792 388724318 /nfs/dbraw/zinc/72/43/18/388724318.db2.gz VBVHIQYDJUAVFV-UONOGXRCSA-N 2 0 240.391 1.829 20 0 BDADRP COC[C@H](C)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000249769176 388733428 /nfs/dbraw/zinc/73/34/28/388733428.db2.gz JFGGHWWMLBSGSR-NEPJUHHUSA-N 2 0 214.353 1.152 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCOC1 ZINC000128979414 388808623 /nfs/dbraw/zinc/80/86/23/388808623.db2.gz DEOBRWRSTKWYAF-RWMBFGLXSA-N 2 0 238.375 1.485 20 0 BDADRP CC[C@@H](CO)[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000253207578 388810719 /nfs/dbraw/zinc/81/07/19/388810719.db2.gz HNZZFHSYVRSVSB-UMSGYPCISA-N 2 0 226.364 1.268 20 0 BDADRP C[C@H](CC1CC1)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000128630161 388777310 /nfs/dbraw/zinc/77/73/10/388777310.db2.gz DHQNYUBVZHDZLE-CYBMUJFWSA-N 2 0 239.407 1.402 20 0 BDADRP CO[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000231692847 388841006 /nfs/dbraw/zinc/84/10/06/388841006.db2.gz SWCCVTKYEMONAZ-MEBFFEOJSA-N 2 0 240.391 1.872 20 0 BDADRP Cn1ccnc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000093939093 388857218 /nfs/dbraw/zinc/85/72/18/388857218.db2.gz QDHYZSPJVPIILK-GFCCVEGCSA-N 2 0 234.347 1.090 20 0 BDADRP C[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000564989691 388905538 /nfs/dbraw/zinc/90/55/38/388905538.db2.gz XJPXFIZENBMYTF-FZMZJTMJSA-N 2 0 234.343 1.660 20 0 BDADRP C[C@H](CC(=O)N(C)C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000564973639 388904246 /nfs/dbraw/zinc/90/42/46/388904246.db2.gz MHHRYXQETOJABN-LLVKDONJSA-N 2 0 249.358 1.102 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H]([NH3+])C2CC2)cc1 ZINC000565421309 388943815 /nfs/dbraw/zinc/94/38/15/388943815.db2.gz VUGZPNGLRIAQMD-RNCFNFMXSA-N 2 0 247.342 1.173 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000565599133 388957053 /nfs/dbraw/zinc/95/70/53/388957053.db2.gz MKXDTHJDUHCYBA-GJZGRUSLSA-N 3 0 247.386 1.752 20 0 BDADRP CC[NH2+]CCCNC(=O)[C@H]([NH3+])c1ccc(C)cc1 ZINC000565882113 388976514 /nfs/dbraw/zinc/97/65/14/388976514.db2.gz VLWWWQUUSBRIOJ-CYBMUJFWSA-N 2 0 249.358 1.111 20 0 BDADRP CSCC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000335571591 136109662 /nfs/dbraw/zinc/10/96/62/136109662.db2.gz MKXMYUDVHFZZHI-NSHDSACASA-N 2 0 214.378 1.377 20 0 BDADRP COCCCC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400423309 533265852 /nfs/dbraw/zinc/26/58/52/533265852.db2.gz XPNHJQZQHVZTCF-GHMZBOCLSA-N 2 0 200.326 1.143 20 0 BDADRP C(CN1CCC[C@H]2C[NH2+]C[C@H]21)C1CC[NH2+]CC1 ZINC000335624168 533360061 /nfs/dbraw/zinc/36/00/61/533360061.db2.gz MLSUFMPCKYYLPS-UONOGXRCSA-N 2 0 237.391 1.060 20 0 BDADRP CSC1(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000400510597 533511554 /nfs/dbraw/zinc/51/15/54/533511554.db2.gz IXEGKMBURBQHKV-UWVGGRQHSA-N 2 0 214.378 1.612 20 0 BDADRP [NH3+]C[C@@H]1CN(c2cc[nH+]c3ccccc32)CCO1 ZINC000041720080 132224121 /nfs/dbraw/zinc/22/41/21/132224121.db2.gz VLYHGOQFLPICAR-LLVKDONJSA-N 2 0 243.310 1.399 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1CCCSC1 ZINC000061589228 133518905 /nfs/dbraw/zinc/51/89/05/133518905.db2.gz KDIZTDVAHBYBPK-WDEREUQCSA-N 2 0 216.394 1.812 20 0 BDADRP CC(C)[C@H]([NH3+])CNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000347512055 133837410 /nfs/dbraw/zinc/83/74/10/133837410.db2.gz JEURODHWZFQDEC-CYBMUJFWSA-N 2 0 247.342 1.003 20 0 BDADRP CSC1(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)CC1 ZINC000336117789 134089012 /nfs/dbraw/zinc/08/90/12/134089012.db2.gz SZVOSIOZXIVMAJ-GFCCVEGCSA-N 2 0 240.416 1.910 20 0 BDADRP C[C@@H](F)CC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000336198510 134127550 /nfs/dbraw/zinc/12/75/50/134127550.db2.gz SDYGZAHZGMHKSA-VXGBXAGGSA-N 2 0 214.328 1.762 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc(O)c2)C1 ZINC000168511898 134224862 /nfs/dbraw/zinc/22/48/62/134224862.db2.gz CGBNBFZGKPAGSI-PWSUYJOCSA-N 2 0 220.316 1.561 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)C1CCC1 ZINC000177879393 134304356 /nfs/dbraw/zinc/30/43/56/134304356.db2.gz INRVUPVXIHVRJJ-LBPRGKRZSA-N 2 0 240.391 1.469 20 0 BDADRP COc1ccc(C)cc1C[NH2+][C@@H](C)CC[NH3+] ZINC000220524829 134309599 /nfs/dbraw/zinc/30/95/99/134309599.db2.gz ZBKDLHQNNYHPTP-NSHDSACASA-N 2 0 222.332 1.831 20 0 BDADRP [NH3+]C1CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC000223645543 134341013 /nfs/dbraw/zinc/34/10/13/134341013.db2.gz XJFLGQCGXYEVIU-GFCCVEGCSA-N 2 0 212.337 1.369 20 0 BDADRP CCC[N@H+](CC)CCNC1CC[NH+](CC)CC1 ZINC000224417318 134347279 /nfs/dbraw/zinc/34/72/79/134347279.db2.gz YWIMPMRVBGNGOL-UHFFFAOYSA-N 2 0 241.423 1.792 20 0 BDADRP COC(C)(C)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000224572258 134348542 /nfs/dbraw/zinc/34/85/42/134348542.db2.gz LWKQILSUPXENCC-SDDRHHMPSA-N 2 0 228.380 1.730 20 0 BDADRP C[C@@H]1OCC[C@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000227497683 134381276 /nfs/dbraw/zinc/38/12/76/134381276.db2.gz FHQQTKQXARKCTA-NWDGAFQWSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)C1(C)CC1 ZINC000151865276 134487939 /nfs/dbraw/zinc/48/79/39/134487939.db2.gz FYNRXLUKKWIVFG-GFCCVEGCSA-N 2 0 240.391 1.469 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@]1(C)CCCS1 ZINC000234793098 134584019 /nfs/dbraw/zinc/58/40/19/134584019.db2.gz TYBKYOOBSRDZAW-RYUDHWBXSA-N 2 0 246.420 1.616 20 0 BDADRP COCC[C@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000133297873 134746070 /nfs/dbraw/zinc/74/60/70/134746070.db2.gz CNELLXXHFDQRMY-NWDGAFQWSA-N 2 0 216.369 1.717 20 0 BDADRP CC[C@H](COC)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000070656621 135005524 /nfs/dbraw/zinc/00/55/24/135005524.db2.gz QANLJWLTTJVSAC-VXGBXAGGSA-N 2 0 226.364 1.485 20 0 BDADRP C[NH+]1[C@@H]2CC[C@H]1CC(NC[C@@H]1CCC[N@H+]1C)C2 ZINC000248880399 135025047 /nfs/dbraw/zinc/02/50/47/135025047.db2.gz KPVJYQLYUFYEDH-GSPSYOTPSA-N 2 0 237.391 1.295 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)CC(C)C ZINC000234737870 135043891 /nfs/dbraw/zinc/04/38/91/135043891.db2.gz OIOOCRYUYAEZPI-NWDGAFQWSA-N 2 0 216.369 1.765 20 0 BDADRP COCC[C@H](C)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251162536 135065313 /nfs/dbraw/zinc/06/53/13/135065313.db2.gz CJWZJWKVFHNYDL-SRVKXCTJSA-N 2 0 214.353 1.471 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)O1 ZINC000251919959 135081405 /nfs/dbraw/zinc/08/14/05/135081405.db2.gz UOSWVQVZQOZHBW-QNWHQSFQSA-N 2 0 226.364 1.626 20 0 BDADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCOCC[NH3+] ZINC000086435359 135084143 /nfs/dbraw/zinc/08/41/43/135084143.db2.gz YWQMVTYSKZQKFR-GHMZBOCLSA-N 2 0 200.326 1.225 20 0 BDADRP C[C@H](C[NH+](C)C)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000252138037 135084819 /nfs/dbraw/zinc/08/48/19/135084819.db2.gz MTROGMRTUGCPBV-UTUOFQBUSA-N 2 0 213.369 1.009 20 0 BDADRP CCC1CCC([N@H+](C)CCOCC[NH3+])CC1 ZINC000086435509 135084860 /nfs/dbraw/zinc/08/48/60/135084860.db2.gz KKQXSOCFZKKLRJ-UHFFFAOYSA-N 2 0 228.380 1.862 20 0 BDADRP C[C@H](Cn1ccnc1)[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000252191054 135086918 /nfs/dbraw/zinc/08/69/18/135086918.db2.gz UYBNLMMLNRWGKD-JHJVBQTASA-N 3 0 236.363 1.344 20 0 BDADRP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]CCn1ccnc1 ZINC000086495849 135087393 /nfs/dbraw/zinc/08/73/93/135087393.db2.gz UBKLEUNTRNMGMP-RYUDHWBXSA-N 2 0 222.336 1.003 20 0 BDADRP C[C@H](CC[NH+](C)C)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000252214102 135088169 /nfs/dbraw/zinc/08/81/69/135088169.db2.gz YUMQSZFHNVZGQL-JHJVBQTASA-N 2 0 227.396 1.399 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000252647147 135093562 /nfs/dbraw/zinc/09/35/62/135093562.db2.gz TWESCIUDKREBGZ-MJBXVCDLSA-N 2 0 239.407 1.528 20 0 BDADRP CCOCCC[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252698145 135097862 /nfs/dbraw/zinc/09/78/62/135097862.db2.gz LHTWJDQJAFYMFG-MNOVXSKESA-N 2 0 200.326 1.082 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252703213 135098089 /nfs/dbraw/zinc/09/80/89/135098089.db2.gz KQNWNHQFQMWAFK-NDBYEHHHSA-N 2 0 208.349 1.859 20 0 BDADRP C[C@H](CO)[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252703276 135098232 /nfs/dbraw/zinc/09/82/32/135098232.db2.gz PNDZPQWNBJDJML-XQHKEYJVSA-N 2 0 226.364 1.220 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)CCO)[C@H](C)C1 ZINC000252711203 135099085 /nfs/dbraw/zinc/09/90/85/135099085.db2.gz IVHRTAKALYNPJQ-UPJWGTAASA-N 2 0 228.380 1.325 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCOC1 ZINC000252709511 135099408 /nfs/dbraw/zinc/09/94/08/135099408.db2.gz DBNRQVQADPTEBZ-FQUUOJAGSA-N 2 0 238.375 1.628 20 0 BDADRP CC(C)CC[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000257669395 135100998 /nfs/dbraw/zinc/10/09/98/135100998.db2.gz DIPONYSFWFQIJE-CYBMUJFWSA-N 2 0 225.380 1.012 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000252743088 135106694 /nfs/dbraw/zinc/10/66/94/135106694.db2.gz LGCQEHODKJERLN-BJDJZHNGSA-N 2 0 212.337 1.271 20 0 BDADRP CC(C)CCOCC[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252769804 135108510 /nfs/dbraw/zinc/10/85/10/135108510.db2.gz KRSCNJXARALWMJ-STQMWFEESA-N 2 0 228.380 1.718 20 0 BDADRP CCCCOCC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252871722 135113800 /nfs/dbraw/zinc/11/38/00/135113800.db2.gz SZDAQJWGADSQOH-IHRRRGAJSA-N 2 0 240.391 1.862 20 0 BDADRP Cc1cccnc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252875785 135114649 /nfs/dbraw/zinc/11/46/49/135114649.db2.gz VUUJMUSKLITTDT-MELADBBJSA-N 2 0 245.370 1.949 20 0 BDADRP CS[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000252951549 135117826 /nfs/dbraw/zinc/11/78/26/135117826.db2.gz FCCMTBDJNQJSFL-OUAUKWLOSA-N 2 0 216.394 1.845 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)C1([NH3+])CCCCC1 ZINC000262448583 135119035 /nfs/dbraw/zinc/11/90/35/135119035.db2.gz QHRBVPYUOXHEQR-NSHDSACASA-N 2 0 241.379 1.282 20 0 BDADRP CCC[C@H](O)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000253020462 135119487 /nfs/dbraw/zinc/11/94/87/135119487.db2.gz JSWWDOPBEFBJRN-XDQVBPFNSA-N 2 0 240.391 1.658 20 0 BDADRP CC(C)COCC[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000253063559 135120517 /nfs/dbraw/zinc/12/05/17/135120517.db2.gz GUAFHDFOOHVJFA-VXGBXAGGSA-N 2 0 214.353 1.328 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@H](C)CCCO)CC1 ZINC000087358611 135125194 /nfs/dbraw/zinc/12/51/94/135125194.db2.gz DVPWCJRQKJOGLE-GFCCVEGCSA-N 2 0 228.380 1.610 20 0 BDADRP C[C@@H]([NH3+])C[N@H+](C)CCC1CCOCC1 ZINC000258787538 135133795 /nfs/dbraw/zinc/13/37/95/135133795.db2.gz PSWXKBJSIFHQOZ-SNVBAGLBSA-N 2 0 200.326 1.082 20 0 BDADRP C([C@@H]1CCCOC1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257673717 135138223 /nfs/dbraw/zinc/13/82/23/135138223.db2.gz JEOCGPBGTNUWTB-UONOGXRCSA-N 2 0 238.375 1.489 20 0 BDADRP C([C@@H]1CCCOC1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257673712 135138462 /nfs/dbraw/zinc/13/84/62/135138462.db2.gz JEOCGPBGTNUWTB-KBPBESRZSA-N 2 0 238.375 1.489 20 0 BDADRP Cc1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)on1 ZINC000257662082 135138640 /nfs/dbraw/zinc/13/86/40/135138640.db2.gz GNPXRKRFKGBJNE-UHFFFAOYSA-N 2 0 235.331 1.559 20 0 BDADRP c1cncc(CC[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000257724706 135141109 /nfs/dbraw/zinc/14/11/09/135141109.db2.gz WGOWFTAFGNBNON-OAHLLOKOSA-N 2 0 245.370 1.700 20 0 BDADRP c1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)nc1 ZINC000259379363 135142724 /nfs/dbraw/zinc/14/27/24/135142724.db2.gz VYTXNFREEZVCSF-CQSZACIVSA-N 2 0 245.370 1.903 20 0 BDADRP C[NH2+]CCC[N@H+](C)CCCOCC(F)(F)F ZINC000087472567 135143051 /nfs/dbraw/zinc/14/30/51/135143051.db2.gz YCJYFNQGPGEFHZ-UHFFFAOYSA-N 2 0 242.285 1.497 20 0 BDADRP C[NH2+]CCCN(C)[C@H](C)c1cccc(O)c1 ZINC000087472296 135143665 /nfs/dbraw/zinc/14/36/65/135143665.db2.gz HZDXKSXQHVFNMI-LLVKDONJSA-N 2 0 222.332 1.995 20 0 BDADRP COC[C@@H]([NH2+][C@H](C)CC[NH+](C)C)C1CC1 ZINC000087479648 135144380 /nfs/dbraw/zinc/14/43/80/135144380.db2.gz ACILWCICUGHTEN-ZYHUDNBSSA-N 2 0 214.353 1.341 20 0 BDADRP CCC1(C[NH2+][C@H]2CCC[C@H]2C[NH3+])CCOCC1 ZINC000261545623 135149231 /nfs/dbraw/zinc/14/92/31/135149231.db2.gz GDIUMEGEIMVSEA-STQMWFEESA-N 2 0 240.391 1.910 20 0 BDADRP CO[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000261529142 135155343 /nfs/dbraw/zinc/15/53/43/135155343.db2.gz PILAFLIPZYKKBG-OUAUKWLOSA-N 2 0 200.326 1.128 20 0 BDADRP COCC(C)(C)C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000261531331 135159945 /nfs/dbraw/zinc/15/99/45/135159945.db2.gz GDQQGIPRXWNGIC-LLVKDONJSA-N 2 0 214.353 1.391 20 0 BDADRP C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1CCCC1 ZINC000261531403 135160127 /nfs/dbraw/zinc/16/01/27/135160127.db2.gz GIVTVEFUPVMFFI-BETUJISGSA-N 2 0 208.349 1.718 20 0 BDADRP c1csc(CC[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000087646051 135161427 /nfs/dbraw/zinc/16/14/27/135161427.db2.gz VPISYGLHZLRPNY-NSHDSACASA-N 2 0 224.373 1.880 20 0 BDADRP C(C1CCCC1)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261532165 135162801 /nfs/dbraw/zinc/16/28/01/135162801.db2.gz JLSYJFHIBGTAGB-QWHCGFSZSA-N 2 0 208.349 1.718 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]CC2([NH3+])CCC2)C1(C)C ZINC000261533355 135165200 /nfs/dbraw/zinc/16/52/00/135165200.db2.gz HEWGKXKIYRYGRK-WDEREUQCSA-N 2 0 226.364 1.661 20 0 BDADRP CO[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000261533650 135165223 /nfs/dbraw/zinc/16/52/23/135165223.db2.gz JCWFGZBISMHGNK-RWMBFGLXSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H](C)OC[C@H]2C)CC[NH2+]1 ZINC000261535033 135168859 /nfs/dbraw/zinc/16/88/59/135168859.db2.gz VZHXFYDLZVSCJQ-FDYHWXHSSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2CCSC2)C[C@H]1C[NH3+] ZINC000261535777 135170831 /nfs/dbraw/zinc/17/08/31/135170831.db2.gz PDHGBUKNOZAVBG-GRYCIOLGSA-N 2 0 228.405 1.656 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCSC[C@H]2C)CC[NH2+]1 ZINC000261536833 135172924 /nfs/dbraw/zinc/17/29/24/135172924.db2.gz TWUNLLMMFUVFAB-IJLUTSLNSA-N 2 0 228.405 1.812 20 0 BDADRP COCC(C)(C)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000261536778 135173350 /nfs/dbraw/zinc/17/33/50/135173350.db2.gz SWLOTMUTYOIZHX-QWRGUYRKSA-N 2 0 214.353 1.519 20 0 BDADRP CC(C)OCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261537851 135175109 /nfs/dbraw/zinc/17/51/09/135175109.db2.gz WLOKXUNHFYPQAR-QJPTWQEYSA-N 2 0 212.337 1.081 20 0 BDADRP Cc1noc(C)c1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000261538149 135175708 /nfs/dbraw/zinc/17/57/08/135175708.db2.gz JMDYZTNZTCAARQ-GFCCVEGCSA-N 2 0 237.347 1.771 20 0 BDADRP C[C@@H]1C[C@H](CN2CC[N@@H+]3CCC[C@@H]3C2)CC[NH2+]1 ZINC000261540665 135179900 /nfs/dbraw/zinc/17/99/00/135179900.db2.gz GZPYEVHOCPTPKL-MGPQQGTHSA-N 2 0 237.391 1.155 20 0 BDADRP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)nc1 ZINC000261544297 135185303 /nfs/dbraw/zinc/18/53/03/135185303.db2.gz DQJQKBUVSNTOIJ-FPMFFAJLSA-N 2 0 231.343 1.559 20 0 BDADRP C(C1CCC1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000261552878 135192122 /nfs/dbraw/zinc/19/21/22/135192122.db2.gz RZNDBXZXRRWVJG-UHFFFAOYSA-N 2 0 208.349 1.862 20 0 BDADRP CCCCOCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000084216374 135192991 /nfs/dbraw/zinc/19/29/91/135192991.db2.gz RJMHDMDKFSENPY-STQMWFEESA-N 2 0 228.380 1.910 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000084220970 135193397 /nfs/dbraw/zinc/19/33/97/135193397.db2.gz GOCIWWDFYQOGSE-QWHCGFSZSA-N 3 0 225.380 1.045 20 0 BDADRP Oc1cccc(CN2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261557185 135197772 /nfs/dbraw/zinc/19/77/72/135197772.db2.gz RMKGOUANGOQELV-OLZOCXBDSA-N 2 0 232.327 1.434 20 0 BDADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000261559322 135200382 /nfs/dbraw/zinc/20/03/82/135200382.db2.gz TXAUUFNXIRKWLB-XHDPSFHLSA-N 2 0 230.355 1.741 20 0 BDADRP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cn1 ZINC000261560165 135200853 /nfs/dbraw/zinc/20/08/53/135200853.db2.gz UGYPXYMGCCGBDF-BFHYXJOUSA-N 2 0 231.343 1.559 20 0 BDADRP COCC1(C[NH2+][C@@H]2CCC2(C)C)CC[NH2+]CC1 ZINC000261560228 135201115 /nfs/dbraw/zinc/20/11/15/135201115.db2.gz UPCWXTQZFCMGCM-GFCCVEGCSA-N 2 0 240.391 1.781 20 0 BDADRP Cc1ncccc1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000261561432 135202417 /nfs/dbraw/zinc/20/24/17/135202417.db2.gz VLGRFMLBHPUJSX-WCQYABFASA-N 2 0 233.359 1.949 20 0 BDADRP C[C@@H]([NH3+])CN(C)CCOc1ccccc1F ZINC000261563778 135204904 /nfs/dbraw/zinc/20/49/04/135204904.db2.gz BZLJDNYBHLIFBB-SNVBAGLBSA-N 2 0 226.295 1.484 20 0 BDADRP C[C@H]1CC[N@H+](CCc2cccnc2)C[C@@H]1C[NH3+] ZINC000163921371 135210631 /nfs/dbraw/zinc/21/06/31/135210631.db2.gz NNVRMDKQDSEFFF-JSGCOSHPSA-N 2 0 233.359 1.541 20 0 BDADRP Cc1nc(C)c(C[NH2+]CC[C@@H]2CC[NH2+]C2)s1 ZINC000261578184 135219324 /nfs/dbraw/zinc/21/93/24/135219324.db2.gz LNOOFFWNRAYEBW-NSHDSACASA-N 2 0 239.388 1.849 20 0 BDADRP Cc1cc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc[nH+]1 ZINC000261578853 135219606 /nfs/dbraw/zinc/21/96/06/135219606.db2.gz LWUNCMNMAZKSKD-DGCLKSJQSA-N 2 0 217.316 1.578 20 0 BDADRP Cc1cc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc[nH+]1 ZINC000261578855 135219849 /nfs/dbraw/zinc/21/98/49/135219849.db2.gz LWUNCMNMAZKSKD-YPMHNXCESA-N 2 0 217.316 1.578 20 0 BDADRP Cc1nn(C)c(C)c1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261579700 135220507 /nfs/dbraw/zinc/22/05/07/135220507.db2.gz PQOGSUVXDXWWLJ-IACUBPJLSA-N 2 0 248.374 1.206 20 0 BDADRP Cc1ccncc1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261583291 135223992 /nfs/dbraw/zinc/22/39/92/135223992.db2.gz OXFORJXZPVBTDS-CYBMUJFWSA-N 2 0 219.332 1.561 20 0 BDADRP Cc1c[nH+]ccc1N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261584893 135226449 /nfs/dbraw/zinc/22/64/49/135226449.db2.gz QDNXWVBQAFVUQL-RYUDHWBXSA-N 2 0 217.316 1.578 20 0 BDADRP Cc1ncc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)s1 ZINC000261585503 135227096 /nfs/dbraw/zinc/22/70/96/135227096.db2.gz QMOCIELQQQDHRM-ZMLRMANQSA-N 2 0 237.372 1.621 20 0 BDADRP c1ccc(OCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261587394 135228126 /nfs/dbraw/zinc/22/81/26/135228126.db2.gz UZVBSVJFEJNJJT-ZIAGYGMSSA-N 2 0 246.354 1.607 20 0 BDADRP Cc1ncccc1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000261587927 135228726 /nfs/dbraw/zinc/22/87/26/135228726.db2.gz RYUNGSWYDMZDAM-CMPLNLGQSA-N 2 0 219.332 1.559 20 0 BDADRP CC1(C)C[N@H+](C[C@@H]2CCC[NH2+]C2)CC[C@H]1O ZINC000261589401 135230144 /nfs/dbraw/zinc/23/01/44/135230144.db2.gz TXSJBVKHDCIDHU-VXGBXAGGSA-N 2 0 226.364 1.079 20 0 BDADRP COCC1(CNc2cc[nH+]c(C)c2)CC[NH2+]CC1 ZINC000261589272 135230556 /nfs/dbraw/zinc/23/05/56/135230556.db2.gz WFJAOBLHDBGHGN-UHFFFAOYSA-N 2 0 249.358 1.818 20 0 BDADRP Cc1[nH+]ccc(N2CCO[C@@H](C[NH3+])C2)c1Cl ZINC000261594933 135235202 /nfs/dbraw/zinc/23/52/02/135235202.db2.gz XUMXMCGIIVZDAL-VIFPVBQESA-N 2 0 241.722 1.207 20 0 BDADRP CCC1(C[NH2+][C@H]2CCC[NH2+]CC2)CCOCC1 ZINC000261545913 135237938 /nfs/dbraw/zinc/23/79/38/135237938.db2.gz GJNLDDQPTZGVRF-ZDUSSCGKSA-N 2 0 240.391 1.925 20 0 BDADRP C[C@@H]1CSCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261547012 135239682 /nfs/dbraw/zinc/23/96/82/135239682.db2.gz LOERQXDSPGWNMX-RYUDHWBXSA-N 2 0 228.405 1.671 20 0 BDADRP COC(=O)c1cccc(CN(C)[C@H](C)C[NH3+])c1 ZINC000261648373 135242430 /nfs/dbraw/zinc/24/24/30/135242430.db2.gz AWHFEEWEYWETKU-SNVBAGLBSA-N 2 0 236.315 1.252 20 0 BDADRP CC(C)[N@@H+]1CCC[C@@H](CNC2=[NH+]CCCN2)C1 ZINC000261724169 135248124 /nfs/dbraw/zinc/24/81/24/135248124.db2.gz GJYRKBMILXCMFN-LBPRGKRZSA-N 2 0 238.379 1.046 20 0 BDADRP C[C@@H]([NH3+])CN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261750571 135250088 /nfs/dbraw/zinc/25/00/88/135250088.db2.gz NJJQMVILUKOQMD-BNOWGMLFSA-N 2 0 233.359 1.008 20 0 BDADRP C[C@]1(C[NH+]2CCC(C)(CO)CC2)CC[NH2+]C1 ZINC000261776693 135251989 /nfs/dbraw/zinc/25/19/89/135251989.db2.gz NJHRMKMZWLNFKE-ZDUSSCGKSA-N 2 0 226.364 1.080 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](CCC(C)(C)C(=O)OC)C1 ZINC000261807387 135254131 /nfs/dbraw/zinc/25/41/31/135254131.db2.gz HIUMKVSZRQCNDO-NSHDSACASA-N 2 0 242.363 1.117 20 0 BDADRP COCC(C)(C)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000261924072 135263414 /nfs/dbraw/zinc/26/34/14/135263414.db2.gz KUTPJNPWLQDBKU-XQQFMLRXSA-N 2 0 240.391 1.718 20 0 BDADRP COC(=O)C(C)(C)CC[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000261922857 135263610 /nfs/dbraw/zinc/26/36/10/135263610.db2.gz KRECXHWALBYCLY-GHMZBOCLSA-N 2 0 242.363 1.245 20 0 BDADRP COCC(C)(C)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000261924074 135263780 /nfs/dbraw/zinc/26/37/80/135263780.db2.gz KUTPJNPWLQDBKU-YNEHKIRRSA-N 2 0 240.391 1.718 20 0 BDADRP CC(C)([NH3+])CN(CC[NH3+])CCc1ccccc1 ZINC000261944096 135265567 /nfs/dbraw/zinc/26/55/67/135265567.db2.gz FAKBIAUTIWKRGV-UHFFFAOYSA-N 2 0 235.375 1.227 20 0 BDADRP C[C@@H](C[NH3+])C(=O)NCC[NH2+]C1CCCCCC1 ZINC000262008617 135272270 /nfs/dbraw/zinc/27/22/70/135272270.db2.gz BSKHUIPWGHKZPW-NSHDSACASA-N 2 0 241.379 1.010 20 0 BDADRP COCC[N@H+](CC(C)(C)[NH3+])[C@H]1CC[C@H](C)C1 ZINC000262014930 135272822 /nfs/dbraw/zinc/27/28/22/135272822.db2.gz VPEMEUILPKLQSC-RYUDHWBXSA-N 2 0 228.380 1.861 20 0 BDADRP CC[N@@H+]1C[C@H](C)N(C[C@H]2CCC[NH2+]C2)C[C@@H]1C ZINC000262030877 135274066 /nfs/dbraw/zinc/27/40/66/135274066.db2.gz XDKRHSCEZAEDFG-IHRRRGAJSA-N 2 0 239.407 1.401 20 0 BDADRP COC(=O)C(C)(C)CC[N@H+](C)C1CC[NH2+]CC1 ZINC000262025128 135274144 /nfs/dbraw/zinc/27/41/44/135274144.db2.gz WOSCQGZZDAUYAT-UHFFFAOYSA-N 2 0 242.363 1.260 20 0 BDADRP CC[C@]1(CO)CCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000262023505 135274263 /nfs/dbraw/zinc/27/42/63/135274263.db2.gz WLHBXXPUDYEHFO-QWHCGFSZSA-N 2 0 226.364 1.223 20 0 BDADRP C[C@]1(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)CC[NH2+]C1 ZINC000262028448 135274297 /nfs/dbraw/zinc/27/42/97/135274297.db2.gz NUTJSLOUFBOJST-MCIONIFRSA-N 2 0 238.375 1.344 20 0 BDADRP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@H](C2CC2)O1 ZINC000262054006 135277029 /nfs/dbraw/zinc/27/70/29/135277029.db2.gz ZXAQCQYWNLQBNU-BXUZGUMPSA-N 2 0 238.375 1.485 20 0 BDADRP COCC(C)(C)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262092220 135278807 /nfs/dbraw/zinc/27/88/07/135278807.db2.gz UXBVZFUHSMLAQZ-ZDUSSCGKSA-N 2 0 226.364 1.344 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262185000 135284963 /nfs/dbraw/zinc/28/49/63/135284963.db2.gz JCXPDCMXBCMVKH-UHFFFAOYSA-N 3 0 237.391 1.062 20 0 BDADRP C[C@@H]([NH3+])CN1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000262297475 135291138 /nfs/dbraw/zinc/29/11/38/135291138.db2.gz WWPUUXALLLTQBY-MFKMUULPSA-N 2 0 237.322 1.119 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000262408691 135295046 /nfs/dbraw/zinc/29/50/46/135295046.db2.gz CJRUYJVGTDAJQU-OLZOCXBDSA-N 2 0 249.358 1.320 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@](C)([NH3+])CCC ZINC000262615214 135308742 /nfs/dbraw/zinc/30/87/42/135308742.db2.gz XWTKFGVSCOWVDX-JQWIXIFHSA-N 2 0 229.368 1.138 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000342752434 135311069 /nfs/dbraw/zinc/31/10/69/135311069.db2.gz OVDAUHUMQALNDG-STQMWFEESA-N 2 0 241.379 1.010 20 0 BDADRP CC(C)c1nccc(NCC2=CC[N@H+](C)CC2)n1 ZINC000342777747 135327396 /nfs/dbraw/zinc/32/73/96/135327396.db2.gz BCHDEIUXVGKCGA-UHFFFAOYSA-N 2 0 246.358 1.696 20 0 BDADRP Cc1cccc(NCC[C@H]2CC[NH2+]C2)[nH+]1 ZINC000082487620 135438259 /nfs/dbraw/zinc/43/82/59/135438259.db2.gz OZEFNFAMULYOHT-LLVKDONJSA-N 2 0 205.305 1.802 20 0 BDADRP NC(=O)c1cccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])c1 ZINC000089148193 135531958 /nfs/dbraw/zinc/53/19/58/135531958.db2.gz SUARHMJXPZSGCR-STQMWFEESA-N 2 0 247.342 1.003 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@H]1CCC[C@H]1CCO ZINC000348157203 136040548 /nfs/dbraw/zinc/04/05/48/136040548.db2.gz FHDZAQISDWSKHF-KBPBESRZSA-N 2 0 242.407 1.859 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1C[C@H]1C(F)F ZINC000348156667 136040947 /nfs/dbraw/zinc/04/09/47/136040947.db2.gz ITHHUOWOUMUFOI-MVCUBJFGSA-N 2 0 232.318 1.958 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)C(C)C)[C@@H](C)C1 ZINC000348270739 136058532 /nfs/dbraw/zinc/05/85/32/136058532.db2.gz HTOZOMDPEONFDZ-MJBXVCDLSA-N 2 0 242.407 1.571 20 0 BDADRP C[C@@]1(CN2C[C@H]([NH3+])Cc3ccccc32)CC[NH2+]C1 ZINC000335354882 136070922 /nfs/dbraw/zinc/07/09/22/136070922.db2.gz CAKGZTNOJUABRZ-UKRRQHHQSA-N 2 0 245.370 1.376 20 0 BDADRP C[C@H]1COCC[C@@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000335368092 136081901 /nfs/dbraw/zinc/08/19/01/136081901.db2.gz XKEYIYRAMVIJSP-ABXWRUBCSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000335368098 136082008 /nfs/dbraw/zinc/08/20/08/136082008.db2.gz XKEYIYRAMVIJSP-RYSNWHEDSA-N 2 0 240.391 1.874 20 0 BDADRP F[C@H]1CCC[C@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC000335386121 136088867 /nfs/dbraw/zinc/08/88/67/136088867.db2.gz MZXYFYWKPNEAIU-ONGXEEELSA-N 2 0 200.301 1.609 20 0 BDADRP C[C@H](C(N)=O)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000335393375 136091902 /nfs/dbraw/zinc/09/19/02/136091902.db2.gz BZHFNZVWVDQABE-KOLCDFICSA-N 2 0 225.336 1.232 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335400320 136094177 /nfs/dbraw/zinc/09/41/77/136094177.db2.gz CTXDQASMABGALJ-CQSZACIVSA-N 2 0 237.391 1.062 20 0 BDADRP Fc1ccc2c(c1)CC[C@H]2[NH2+]CC1C[NH2+]C1 ZINC000335551598 136098004 /nfs/dbraw/zinc/09/80/04/136098004.db2.gz KEVGUQAZBZXYJB-CYBMUJFWSA-N 2 0 220.291 1.622 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000335568339 136108244 /nfs/dbraw/zinc/10/82/44/136108244.db2.gz KCCSQLSVAIEJQQ-STQMWFEESA-N 3 0 239.407 1.354 20 0 BDADRP CC(C)([NH3+])C[NH2+][C@H]1CCc2ccccc2OC1 ZINC000335598720 136113796 /nfs/dbraw/zinc/11/37/96/136113796.db2.gz LYTLGSLPRIMCPM-LBPRGKRZSA-N 2 0 234.343 1.707 20 0 BDADRP CCC(CC)C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000422860801 397758172 /nfs/dbraw/zinc/75/81/72/397758172.db2.gz NCMSDKJTIZJJAM-WCFLWFBJSA-N 2 0 228.380 1.765 20 0 BDADRP C[C@]1(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)CC[NH2+]C1 ZINC000647514049 397771921 /nfs/dbraw/zinc/77/19/21/397771921.db2.gz DHNLECZQGVWBJP-OCCSQVGLSA-N 2 0 248.374 1.589 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCCCO1 ZINC000382300546 397934261 /nfs/dbraw/zinc/93/42/61/397934261.db2.gz TUOAXGLYGORCEJ-RVMXOQNASA-N 2 0 226.364 1.804 20 0 BDADRP CC[N@H+](C)C[C@@H]1CCN(C[C@H]2CCC[NH+]2C)C1 ZINC000649548348 397939794 /nfs/dbraw/zinc/93/97/94/397939794.db2.gz UWWMPPOECQTEQN-UONOGXRCSA-N 2 0 239.407 1.354 20 0 BDADRP COCCC[C@@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629545377 397969026 /nfs/dbraw/zinc/96/90/26/397969026.db2.gz DCCCTNQIPQLCLI-OUAUKWLOSA-N 2 0 200.326 1.142 20 0 BDADRP CC[NH2+]CCCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000564822288 398044911 /nfs/dbraw/zinc/04/49/11/398044911.db2.gz KAMYKRSIBONFCE-KGLIPLIRSA-N 2 0 233.359 1.720 20 0 BDADRP C[NH2+][C@@H](C)Cc1noc([C@H]2CCC[NH2+]CC2)n1 ZINC000650227941 397997978 /nfs/dbraw/zinc/99/79/78/397997978.db2.gz PCUOMFGLRBJDBJ-UWVGGRQHSA-N 2 0 238.335 1.077 20 0 BDADRP CC[C@H]1C[N@H+](C)CCN1C[C@H]1CCC[NH+]1C ZINC000649618728 398003706 /nfs/dbraw/zinc/00/37/06/398003706.db2.gz LUAGAXHZLFMWQG-QWHCGFSZSA-N 2 0 225.380 1.107 20 0 BDADRP CCC[C@@H]1C[NH2+]CCN1C[C@@H]([NH3+])CC(C)C ZINC000414657981 398009278 /nfs/dbraw/zinc/00/92/78/398009278.db2.gz IRJUTTRTLYDONX-QWHCGFSZSA-N 2 0 227.396 1.434 20 0 BDADRP C[C@H]1CCC[C@]1(O)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000383194383 398009626 /nfs/dbraw/zinc/00/96/26/398009626.db2.gz SRHLGPWKPZOEAP-DGAVXFQQSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCC1([NH3+])CCCCCC1 ZINC000375438180 398023788 /nfs/dbraw/zinc/02/37/88/398023788.db2.gz QLGMLENEJBOXMY-WDEREUQCSA-N 2 0 241.379 1.138 20 0 BDADRP CN(C)c1ccccc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414826301 398048040 /nfs/dbraw/zinc/04/80/40/398048040.db2.gz FJZICYSXRBJHLT-CYBMUJFWSA-N 2 0 247.386 1.842 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)COC2 ZINC000414792307 398039774 /nfs/dbraw/zinc/03/97/74/398039774.db2.gz CCCVVFGBYFONNQ-WFASDCNBSA-N 2 0 246.354 1.934 20 0 BDADRP COCc1ccc(CN2CC[C@@H]([NH3+])[C@H](C)C2)o1 ZINC000382764335 397972466 /nfs/dbraw/zinc/97/24/66/397972466.db2.gz SHVOXUGOPMZQPF-ZWNOBZJWSA-N 2 0 238.331 1.595 20 0 BDADRP O[C@@H](C[NH2+]CC1=CCCC1)C[NH+]1CCCC1 ZINC000629585501 397977571 /nfs/dbraw/zinc/97/75/71/397977571.db2.gz VWWNOOCQBJBZIK-ZDUSSCGKSA-N 2 0 224.348 1.143 20 0 BDADRP CC(C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186600348 398069997 /nfs/dbraw/zinc/06/99/97/398069997.db2.gz DRIBOFGPZJYZGX-LBPRGKRZSA-N 2 0 213.369 1.010 20 0 BDADRP CC1(C)CCC[NH2+][C@@H]1C[NH2+]C[C@H]1CCCOC1 ZINC000414923801 398100292 /nfs/dbraw/zinc/10/02/92/398100292.db2.gz GBJPJNBROVCTOY-CHWSQXEVSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@H](c1ccc(Cl)cc1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000062013618 398110482 /nfs/dbraw/zinc/11/04/82/398110482.db2.gz AUGOLHCDEJQADW-BXKDBHETSA-N 2 0 242.750 1.652 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC1(CCO)CC1 ZINC000643483004 398125419 /nfs/dbraw/zinc/12/54/19/398125419.db2.gz YZHRJRQFXHZTMC-NEPJUHHUSA-N 2 0 226.364 1.399 20 0 BDADRP Fc1cccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)c1 ZINC000258919275 322879707 /nfs/dbraw/zinc/87/97/07/322879707.db2.gz FYDVSSHHKUOSFR-NSHDSACASA-N 2 0 222.307 1.915 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCOC1(C)C)C1CC[NH+](C)CC1 ZINC000392897982 487557683 /nfs/dbraw/zinc/55/76/83/487557683.db2.gz YJLSKXFTUFLBIC-YPMHNXCESA-N 2 0 240.391 1.874 20 0 BDADRP C[C@H](O)C[N@H+](C)Cc1ccc(-n2ccnc2)nc1 ZINC000156308318 487559570 /nfs/dbraw/zinc/55/95/70/487559570.db2.gz LDRLCBROFKDMNJ-NSHDSACASA-N 2 0 246.314 1.080 20 0 BDADRP C(NC1CC[NH+](C2CC2)CC1)[C@H]1CCCC[NH2+]1 ZINC000232459791 487595464 /nfs/dbraw/zinc/59/54/64/487595464.db2.gz HFXGELLRDOMLEM-CYBMUJFWSA-N 2 0 237.391 1.345 20 0 BDADRP CC[N@H+](CCc1cncn1C)C[C@H](C)OC ZINC000297659042 487603494 /nfs/dbraw/zinc/60/34/94/487603494.db2.gz NRJUCPYBAJWPKK-NSHDSACASA-N 2 0 225.336 1.319 20 0 BDADRP C[C@H](C[NH3+])N(C)C(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662417623 487604494 /nfs/dbraw/zinc/60/44/94/487604494.db2.gz LZSYZATUJLBCSN-MFKMUULPSA-N 2 0 247.342 1.027 20 0 BDADRP C[NH2+][C@H]1CCN(C[C@H](OC)C2CCC2)C1 ZINC000662241051 409528433 /nfs/dbraw/zinc/52/84/33/409528433.db2.gz QGNASPOHFVFIRA-RYUDHWBXSA-N 2 0 212.337 1.095 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH2+]C1(CCO)CCCC1 ZINC000660682938 409541571 /nfs/dbraw/zinc/54/15/71/409541571.db2.gz XGGXFIXRLPCEBN-ZDUSSCGKSA-N 2 0 240.391 1.756 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH2+]C1(CCO)CCCC1 ZINC000660682936 409541953 /nfs/dbraw/zinc/54/19/53/409541953.db2.gz XGGXFIXRLPCEBN-CYBMUJFWSA-N 2 0 240.391 1.756 20 0 BDADRP C[C@@H]1CC[C@H](C)[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662253733 409553314 /nfs/dbraw/zinc/55/33/14/409553314.db2.gz CAMVOEVSNSBECC-FRRDWIJNSA-N 2 0 238.375 1.628 20 0 BDADRP CCC1(CC)CCC[N@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000662308600 409632904 /nfs/dbraw/zinc/63/29/04/409632904.db2.gz BTJHVCGSXTVLLI-ZDUSSCGKSA-N 2 0 242.407 1.859 20 0 BDADRP C[N@@H+](CC1=CCSC1)C[C@@H]1CCC[NH2+]C1 ZINC000662326780 409642656 /nfs/dbraw/zinc/64/26/56/409642656.db2.gz BWIBNYZWUWUVTF-LLVKDONJSA-N 2 0 226.389 1.591 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCO[C@@H]1CC1(F)F ZINC000662276549 409590935 /nfs/dbraw/zinc/59/09/35/409590935.db2.gz KHKVJLARXLQVKN-VHSXEESVSA-N 2 0 248.317 1.388 20 0 BDADRP CC(C)c1cccc(C[N@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000662277228 409594253 /nfs/dbraw/zinc/59/42/53/409594253.db2.gz NLCYEEDVBYQMJY-AWEZNQCLSA-N 2 0 236.359 1.561 20 0 BDADRP CC(C)c1cccc(C[N@H+](C)C[C@H](O)C[NH3+])c1 ZINC000662277230 409594653 /nfs/dbraw/zinc/59/46/53/409594653.db2.gz NLCYEEDVBYQMJY-CQSZACIVSA-N 2 0 236.359 1.561 20 0 BDADRP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CCCO1 ZINC000662282869 409606313 /nfs/dbraw/zinc/60/63/13/409606313.db2.gz YHLQRPNNULRCEH-YVECIDJPSA-N 2 0 224.348 1.082 20 0 BDADRP [NH3+]CC1(O)CC[NH+](CCCC2CCC2)CC1 ZINC000662283368 409611469 /nfs/dbraw/zinc/61/14/69/409611469.db2.gz MWSAEHZDTWRYGA-UHFFFAOYSA-N 2 0 226.364 1.352 20 0 BDADRP CO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422969165 409757597 /nfs/dbraw/zinc/75/75/97/409757597.db2.gz UARBJPZRCIHBDT-DDHJBXDOSA-N 2 0 214.353 1.659 20 0 BDADRP CN(CC(C)(C)[NH3+])C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000662605967 409780510 /nfs/dbraw/zinc/78/05/10/409780510.db2.gz VSDDXCRPHUJMCP-GFCCVEGCSA-N 2 0 249.358 1.272 20 0 BDADRP CC(C)C[N@H+](C)CCC[NH2+]CC1(C)COC1 ZINC000651975877 409968258 /nfs/dbraw/zinc/96/82/58/409968258.db2.gz QDVZSTGLOOUVNC-UHFFFAOYSA-N 2 0 228.380 1.590 20 0 BDADRP C[NH2+]Cc1ccc(NC[C@@]23C[C@@H]2C[NH2+]C3)cc1 ZINC000663495713 410274484 /nfs/dbraw/zinc/27/44/84/410274484.db2.gz AVSNYUZVAWWAGJ-OCCSQVGLSA-N 2 0 231.343 1.427 20 0 BDADRP Cc1ncccc1C[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000663498505 410275669 /nfs/dbraw/zinc/27/56/69/410275669.db2.gz NZYYSQWPUCMWGD-CYBMUJFWSA-N 2 0 221.348 1.853 20 0 BDADRP CC[N@@H+]1CCC[C@H]1CN[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000156566393 410331004 /nfs/dbraw/zinc/33/10/04/410331004.db2.gz UAIXQRHKPYCGPB-MELADBBJSA-N 2 0 239.407 1.401 20 0 BDADRP Nc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cn1 ZINC000650709150 410339289 /nfs/dbraw/zinc/33/92/89/410339289.db2.gz GEINJSJDSHQNFE-JSGCOSHPSA-N 2 0 246.358 1.055 20 0 BDADRP C[C@]1(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC[NH2+]C1 ZINC000650709721 410340504 /nfs/dbraw/zinc/34/05/04/410340504.db2.gz NVMDTCJVAXSAEX-IHRRRGAJSA-N 3 0 237.391 1.047 20 0 BDADRP C[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)[C@H]1CC[NH3+] ZINC000650712145 410342169 /nfs/dbraw/zinc/34/21/69/410342169.db2.gz SJDCVVJKDZBZGI-OCCSQVGLSA-N 3 0 239.407 1.435 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[NH2+][C@@H]1CNc2ccccc2C1 ZINC000650715329 410349499 /nfs/dbraw/zinc/34/94/99/410349499.db2.gz YNJBZXPIHXYQPG-KGLIPLIRSA-N 2 0 247.386 1.986 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000650742956 410377063 /nfs/dbraw/zinc/37/70/63/410377063.db2.gz JADGOAOMJBMBCS-OOCWMUITSA-N 2 0 210.321 1.023 20 0 BDADRP C1C[C@@H]2O[C@H]1C[C@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000650742805 410377648 /nfs/dbraw/zinc/37/76/48/410377648.db2.gz DUZDEMNLRHYTDP-UQPQVDFHSA-N 2 0 236.359 1.284 20 0 BDADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)C1CCOCC1 ZINC000650744711 410380979 /nfs/dbraw/zinc/38/09/79/410380979.db2.gz URMBSMCVMXGEHX-LLVKDONJSA-N 2 0 226.364 1.520 20 0 BDADRP CO[C@@H](C)[C@H](C)[NH2+]CCC1(C[NH3+])CC1 ZINC000650745314 410382869 /nfs/dbraw/zinc/38/28/69/410382869.db2.gz DGESOKCNZPZTEF-UWVGGRQHSA-N 2 0 200.326 1.128 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCC2(C[NH3+])CC2)CCO1 ZINC000650745791 410383280 /nfs/dbraw/zinc/38/32/80/410383280.db2.gz NYVSCOSDVISPLD-MNOVXSKESA-N 2 0 212.337 1.273 20 0 BDADRP C[C@H](COCC1CC1)[NH2+][C@@H](C)CCCC[NH3+] ZINC000650760676 410407512 /nfs/dbraw/zinc/40/75/12/410407512.db2.gz JYMNGFLCYGTJSO-NWDGAFQWSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCC2CC[NH2+]CC2)[C@H](C)O1 ZINC000650761634 410409449 /nfs/dbraw/zinc/40/94/49/410409449.db2.gz FWVPLNZJLQXCSN-NTZNESFSSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC2CC[NH2+]CC2)[C@H](C)O1 ZINC000650761632 410409488 /nfs/dbraw/zinc/40/94/88/410409488.db2.gz FWVPLNZJLQXCSN-MDZLAQPJSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650761688 410410125 /nfs/dbraw/zinc/41/01/25/410410125.db2.gz HWKZNTLVAHJIHI-YPMHNXCESA-N 2 0 226.364 1.391 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCC2CC[NH2+]CC2)CCO1 ZINC000650762686 410411892 /nfs/dbraw/zinc/41/18/92/410411892.db2.gz HUBCAIBPEXXWRB-WCQYABFASA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650762162 410411990 /nfs/dbraw/zinc/41/19/90/410411990.db2.gz VQDXMSHBHBAEAO-GHMZBOCLSA-N 3 0 213.369 1.092 20 0 BDADRP CCCN1CC[C@H]([NH2+][C@H](COC)C(C)C)C1 ZINC000328149610 487617195 /nfs/dbraw/zinc/61/71/95/487617195.db2.gz DCTWMWGLJLUQTD-QWHCGFSZSA-N 2 0 228.380 1.731 20 0 BDADRP COC[C@H](CC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)OC ZINC000665234780 410726799 /nfs/dbraw/zinc/72/67/99/410726799.db2.gz KBBMURKPGUYZQS-AVGNSLFASA-N 2 0 244.379 1.016 20 0 BDADRP C[C@H]1COCC[C@@H]1[NH2+]CC1([NH3+])CCCC1 ZINC000665246288 410728876 /nfs/dbraw/zinc/72/88/76/410728876.db2.gz AUOLVNRNJKZNCH-QWRGUYRKSA-N 2 0 212.337 1.273 20 0 BDADRP CCC[NH+](CCC)C[C@@H](O)C[N@H+](C)C(C)C ZINC000309295637 410745080 /nfs/dbraw/zinc/74/50/80/410745080.db2.gz WWTYIALAYKUNIE-ZDUSSCGKSA-N 2 0 230.396 1.810 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@@H]([NH3+])C[C@H]1C ZINC000653299375 410814965 /nfs/dbraw/zinc/81/49/65/410814965.db2.gz RGOJROFGCOQRMH-CHWSQXEVSA-N 2 0 227.396 1.530 20 0 BDADRP CC[C@@H]1C[N@H+](CCc2cn[nH]c2)CC[C@H]1[NH3+] ZINC000393760415 410760281 /nfs/dbraw/zinc/76/02/81/410760281.db2.gz KVXFDTACKKDBGB-VXGBXAGGSA-N 2 0 222.336 1.011 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000665282919 410764264 /nfs/dbraw/zinc/76/42/64/410764264.db2.gz DWSHDBIXRVHROF-YNEHKIRRSA-N 2 0 227.396 1.467 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)C(=O)NC ZINC000020309002 169775710 /nfs/dbraw/zinc/77/57/10/169775710.db2.gz ZLGIRMAYOUBNAU-NEPJUHHUSA-N 2 0 243.395 1.221 20 0 BDADRP CC(C)[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000360928407 167035786 /nfs/dbraw/zinc/03/57/86/167035786.db2.gz UBACTOHFIHUTLQ-XQQFMLRXSA-N 2 0 208.349 1.811 20 0 BDADRP CC(C)NC(=O)CC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000228332357 167044824 /nfs/dbraw/zinc/04/48/24/167044824.db2.gz IEDZLQPEHCUIGZ-RYUDHWBXSA-N 2 0 241.379 1.008 20 0 BDADRP CC(C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000119268236 167095920 /nfs/dbraw/zinc/09/59/20/167095920.db2.gz CIISFTSCLFYBLJ-KBPBESRZSA-N 2 0 240.391 1.752 20 0 BDADRP CC(C)OCC[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000250581198 167231707 /nfs/dbraw/zinc/23/17/07/167231707.db2.gz IVRGDSBDPPXOST-RYUDHWBXSA-N 2 0 214.353 1.471 20 0 BDADRP CC[NH+](CC)C[C@@H](C)NC(=O)C1([NH3+])CCCC1 ZINC000041680115 169784923 /nfs/dbraw/zinc/78/49/23/169784923.db2.gz KQTCZDDCTIDAGS-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP CC(C)OC[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000309528406 167254399 /nfs/dbraw/zinc/25/43/99/167254399.db2.gz CYMHWASZXFWCRR-GFCCVEGCSA-N 2 0 228.380 1.731 20 0 BDADRP CC(C)OC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000337330327 167265042 /nfs/dbraw/zinc/26/50/42/167265042.db2.gz GNOFIBFUAZROJU-QWHCGFSZSA-N 2 0 240.391 1.874 20 0 BDADRP CCCN(CC[NH+](C)C)C(=O)[C@H]([NH3+])CC(C)C ZINC000041680293 410933771 /nfs/dbraw/zinc/93/37/71/410933771.db2.gz TXBWHZHASAMRPN-GFCCVEGCSA-N 2 0 243.395 1.160 20 0 BDADRP CC(C)[C@@H](O)C1(C[NH2+]C2CCC([NH3+])CC2)CC1 ZINC000331947560 167445367 /nfs/dbraw/zinc/44/53/67/167445367.db2.gz JOGYGRIIMJXVDD-WXRRBKDZSA-N 2 0 240.391 1.643 20 0 BDADRP CCO[C@@H]1CCC[N@H+](CCC[NH2+]C)C1 ZINC000042424615 411003456 /nfs/dbraw/zinc/00/34/56/411003456.db2.gz MFRXAGZFLXCETM-LLVKDONJSA-N 2 0 200.326 1.097 20 0 BDADRP CCO[C@H]1CCCN(CC(C)(C)[NH3+])C1 ZINC000042425559 411005631 /nfs/dbraw/zinc/00/56/31/411005631.db2.gz NWISSPOWZRFQTP-JTQLQIEISA-N 2 0 200.326 1.225 20 0 BDADRP C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCCC[NH2+]1 ZINC000300136692 411078280 /nfs/dbraw/zinc/07/82/80/411078280.db2.gz RLGWJVDBYMKCFX-MGPQQGTHSA-N 2 0 237.391 1.345 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@H](CO)CCF)CC1 ZINC000652020118 411022346 /nfs/dbraw/zinc/02/23/46/411022346.db2.gz LCKSSVDRKFIJJS-LBPRGKRZSA-N 2 0 232.343 1.169 20 0 BDADRP CC[NH+](CC)CCC[N@H+](C)C[C@H](O)C1CC1 ZINC000683140596 487620091 /nfs/dbraw/zinc/62/00/91/487620091.db2.gz BHWIBPOUPNWVRK-ZDUSSCGKSA-N 2 0 228.380 1.421 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400919759 411162853 /nfs/dbraw/zinc/16/28/53/411162853.db2.gz IVWGAYDEDPPSQQ-NZEXEKPDSA-N 2 0 208.349 1.620 20 0 BDADRP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400939111 411162976 /nfs/dbraw/zinc/16/29/76/411162976.db2.gz ALHNJRYWDOWORG-IEECTRCBSA-N 2 0 238.375 1.124 20 0 BDADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000651864882 411147887 /nfs/dbraw/zinc/14/78/87/411147887.db2.gz HXGVCHPODZXCEK-KBPBESRZSA-N 2 0 242.407 1.979 20 0 BDADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000401005388 411169639 /nfs/dbraw/zinc/16/96/39/411169639.db2.gz BMNFXPDMDCKPOW-QLFBSQMISA-N 3 0 249.402 1.226 20 0 BDADRP Cc1ccncc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401014103 411172292 /nfs/dbraw/zinc/17/22/92/411172292.db2.gz NSVMFHYEIAHBOZ-UMVBOHGHSA-N 2 0 245.370 1.868 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cnn(C)c1 ZINC000401038175 411173638 /nfs/dbraw/zinc/17/36/38/411173638.db2.gz SEZUEAWCQNAJPN-KZVDOYCCSA-N 2 0 248.374 1.459 20 0 BDADRP c1cnn(CCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000401039019 411173651 /nfs/dbraw/zinc/17/36/51/411173651.db2.gz SOQRNDSDYWDKBX-BFHYXJOUSA-N 2 0 248.374 1.251 20 0 BDADRP C[C@H](O)CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401060092 411174724 /nfs/dbraw/zinc/17/47/24/411174724.db2.gz JGASFFCFGFAGIA-ZDEQEGDKSA-N 2 0 226.364 1.125 20 0 BDADRP C[C@H](O)CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401060089 411174864 /nfs/dbraw/zinc/17/48/64/411174864.db2.gz JGASFFCFGFAGIA-UMSGYPCISA-N 2 0 226.364 1.125 20 0 BDADRP CC(C)C[N@H+](C)CCC[NH2+]C1CCC(O)CC1 ZINC000652222757 411175345 /nfs/dbraw/zinc/17/53/45/411175345.db2.gz WUGFJULVRSMRCO-UHFFFAOYSA-N 2 0 242.407 1.857 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401063816 411175640 /nfs/dbraw/zinc/17/56/40/411175640.db2.gz KLNJRYIJJAUEDR-RVMXOQNASA-N 2 0 226.364 1.125 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1C1CC1 ZINC000659879973 411177562 /nfs/dbraw/zinc/17/75/62/411177562.db2.gz YYGSTXKBUTXNJP-KBPBESRZSA-N 2 0 240.391 1.562 20 0 BDADRP FCCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401152632 411177739 /nfs/dbraw/zinc/17/77/39/411177739.db2.gz QBUDOPQDJNTQCN-IJLUTSLNSA-N 2 0 214.328 1.714 20 0 BDADRP OCCCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401091139 411178332 /nfs/dbraw/zinc/17/83/32/411178332.db2.gz XZEXFMAYPHEHFO-RWMBFGLXSA-N 2 0 226.364 1.127 20 0 BDADRP CCC[C@H](C)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000070800426 411183861 /nfs/dbraw/zinc/18/38/61/411183861.db2.gz JRAGWWSEEAJTDP-ZDUSSCGKSA-N 2 0 227.396 1.260 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](N[C@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC000656193031 411198694 /nfs/dbraw/zinc/19/86/94/411198694.db2.gz JEYROLRJAAZTRY-AGIUHOORSA-N 2 0 237.391 1.521 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000656193700 411199586 /nfs/dbraw/zinc/19/95/86/411199586.db2.gz PPMFPGAFWHMNOQ-LSDHHAIUSA-N 3 0 247.386 1.766 20 0 BDADRP COC[C@@H](CC(C)(C)C)[NH2+]CCC[NH3+] ZINC000656193312 411201026 /nfs/dbraw/zinc/20/10/26/411201026.db2.gz FTLFHCHGWOKARE-SNVBAGLBSA-N 2 0 202.342 1.376 20 0 BDADRP Cc1nccnc1CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000656199079 411201746 /nfs/dbraw/zinc/20/17/46/411201746.db2.gz KFTLZHUVKYQGHY-RYUDHWBXSA-N 2 0 234.347 1.187 20 0 BDADRP C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000656197436 411202784 /nfs/dbraw/zinc/20/27/84/411202784.db2.gz JDIJCPILGFTLIW-MROQNXINSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1CCC[NH2+]1 ZINC000656200085 411203950 /nfs/dbraw/zinc/20/39/50/411203950.db2.gz JKLPVUFXWGAHQJ-NDBYEHHHSA-N 3 0 225.380 1.057 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000656199748 411204317 /nfs/dbraw/zinc/20/43/17/411204317.db2.gz BXSTWBRZTVVREK-WUHRBBMRSA-N 3 0 225.380 1.186 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656199708 411204735 /nfs/dbraw/zinc/20/47/35/411204735.db2.gz BFZHDRSRPXKUTP-KXNHARMFSA-N 3 0 213.369 1.042 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656200284 411204972 /nfs/dbraw/zinc/20/49/72/411204972.db2.gz KUVSRYHOFXRSCE-RWMBFGLXSA-N 3 0 227.396 1.434 20 0 BDADRP FC1(F)CCC(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000656417017 411245523 /nfs/dbraw/zinc/24/55/23/411245523.db2.gz IVKQUVJJTSICOI-TXEJJXNPSA-N 2 0 244.329 1.963 20 0 BDADRP Cc1c[nH+]ccc1NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656211240 411210444 /nfs/dbraw/zinc/21/04/44/411210444.db2.gz ACOZMMPXGWTREH-TXEJJXNPSA-N 2 0 219.332 1.564 20 0 BDADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CCCF)C2)C1 ZINC000652349205 411211151 /nfs/dbraw/zinc/21/11/51/411211151.db2.gz FMEPZIPHOAGZQQ-YNEHKIRRSA-N 2 0 244.354 1.564 20 0 BDADRP C[NH2+]C[C@](C)(O)C[NH+]1CCC2(CC2(F)F)CC1 ZINC000652353151 411212440 /nfs/dbraw/zinc/21/24/40/411212440.db2.gz IVHVYDNDSIFXLC-JTQLQIEISA-N 2 0 248.317 1.078 20 0 BDADRP C[C@H](CO)C1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000652358579 411216580 /nfs/dbraw/zinc/21/65/80/411216580.db2.gz TXTWZWFMHIFYEP-OLZOCXBDSA-N 2 0 240.391 1.326 20 0 BDADRP C[C@@H](O)C[N@H+](CC[C@H]1CCC[NH+]1C)C1CC1 ZINC000653902542 411217308 /nfs/dbraw/zinc/21/73/08/411217308.db2.gz VYKLAABVVIHJGR-VXGBXAGGSA-N 2 0 226.364 1.316 20 0 BDADRP C[C@@H]1CSC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656269751 411220671 /nfs/dbraw/zinc/22/06/71/411220671.db2.gz UIIMLJCLPBMFQG-WISYIIOYSA-N 2 0 228.405 1.668 20 0 BDADRP CC(C)[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1CCC1 ZINC000660079947 411221386 /nfs/dbraw/zinc/22/13/86/411221386.db2.gz VCRLERWNSBHSQU-AWEZNQCLSA-N 2 0 242.407 1.950 20 0 BDADRP COC[C@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)C1CC1 ZINC000658056494 411222300 /nfs/dbraw/zinc/22/23/00/411222300.db2.gz LNIHEAFLWKNFRW-STQMWFEESA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCN[C@@H]1CCC[C@H]1[NH3+] ZINC000422884899 411233110 /nfs/dbraw/zinc/23/31/10/411233110.db2.gz FVDZGMWWIFECDP-XJFOESAGSA-N 2 0 239.407 1.719 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@H]1c1ccco1)[C@H]1CC[NH2+]C1 ZINC000423173924 411237684 /nfs/dbraw/zinc/23/76/84/411237684.db2.gz AOVKHKHUQUBIHQ-NNYUYHANSA-N 2 0 220.316 1.723 20 0 BDADRP O[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CCC1 ZINC000400909980 411165536 /nfs/dbraw/zinc/16/55/36/411165536.db2.gz DZMSHMCSFJJKOI-AAVRWANBSA-N 2 0 238.375 1.125 20 0 BDADRP Cc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000400909329 411165577 /nfs/dbraw/zinc/16/55/77/411165577.db2.gz AUKAVVXFNOAULX-RRFJBIMHSA-N 2 0 245.370 1.868 20 0 BDADRP FCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400909854 411165608 /nfs/dbraw/zinc/16/56/08/411165608.db2.gz DVWXIDOAQTUQGT-OUAUKWLOSA-N 2 0 200.301 1.324 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H]1CCOC1 ZINC000400969180 411166524 /nfs/dbraw/zinc/16/65/24/411166524.db2.gz LXJOZZMODXCWRV-MEBFFEOJSA-N 2 0 238.375 1.389 20 0 BDADRP O[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000400978008 411167633 /nfs/dbraw/zinc/16/76/33/411167633.db2.gz SOIYYYJLGQASHC-ODXJTPSBSA-N 2 0 238.375 1.125 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@H]2CCCn3ccnc32)CC1 ZINC000655714483 411268086 /nfs/dbraw/zinc/26/80/86/411268086.db2.gz FFGGFRJAIZWYLO-ZDUSSCGKSA-N 2 0 248.374 1.649 20 0 BDADRP CO[C@@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000658170235 411279903 /nfs/dbraw/zinc/27/99/03/411279903.db2.gz SXJQCWPLRJPNCF-LOWDOPEQSA-N 2 0 226.364 1.484 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](C)OC)[C@@H](C)C1 ZINC000658175249 411282137 /nfs/dbraw/zinc/28/21/37/411282137.db2.gz MVYMPXPVNGPWEO-QJPTWQEYSA-N 2 0 214.353 1.341 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCc2ccoc2)CC[N@@H+]1C ZINC000658202065 411291068 /nfs/dbraw/zinc/29/10/68/411291068.db2.gz UPFZLGNAFRIDLK-AAEUAGOBSA-N 2 0 222.332 1.894 20 0 BDADRP CC[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1CCCOC1 ZINC000402782038 411316452 /nfs/dbraw/zinc/31/64/52/411316452.db2.gz OAQHUHWXUPYEMW-MGPQQGTHSA-N 2 0 240.391 1.875 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403660839 411353161 /nfs/dbraw/zinc/35/31/61/411353161.db2.gz LVFBJTKEFPDCGD-MLGHIDQZSA-N 2 0 208.349 1.892 20 0 BDADRP C[C@@]1(C[NH2+]Cc2cccc(N)c2)CC[NH2+]C1 ZINC000656784270 411361084 /nfs/dbraw/zinc/36/10/84/411361084.db2.gz DBTNCQSOSHJKKA-CYBMUJFWSA-N 2 0 219.332 1.358 20 0 BDADRP Cc1nn(C)c(C)c1CN(C)CC(C)(C)[NH3+] ZINC000656784036 411361200 /nfs/dbraw/zinc/36/12/00/411361200.db2.gz XYEMGQYSEZKRQC-UHFFFAOYSA-N 2 0 224.352 1.206 20 0 BDADRP C[C@@]12COC[C@]1(C)C[N@@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000656788055 411366832 /nfs/dbraw/zinc/36/68/32/411366832.db2.gz NPUGGCWVEIEMHF-MCIONIFRSA-N 2 0 238.375 1.344 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@]23C[C@H]2CCC3)CC[NH2+]1 ZINC000656787743 411366991 /nfs/dbraw/zinc/36/69/91/411366991.db2.gz UAYNWGGEPDSWBH-FDYHWXHSSA-N 2 0 208.349 1.907 20 0 BDADRP C[C@@H](Cn1cccn1)[NH2+]CC1([NH3+])CCCC1 ZINC000656789337 411368775 /nfs/dbraw/zinc/36/87/75/411368775.db2.gz NEGWNHFGUMCRCX-NSHDSACASA-N 2 0 222.336 1.133 20 0 BDADRP CC(C)(C)[NH2+]CCNCC1([NH3+])CCCC1 ZINC000656789630 411368932 /nfs/dbraw/zinc/36/89/32/411368932.db2.gz TWOOPDOLQLXYHF-UHFFFAOYSA-N 2 0 213.369 1.236 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H]3COC[C@]3(C)C2)CC[NH2+]1 ZINC000656791490 411370980 /nfs/dbraw/zinc/37/09/80/411370980.db2.gz HRRUAOJCMURFOV-SYQHCUMBSA-N 2 0 238.375 1.343 20 0 BDADRP CO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000658331688 411339320 /nfs/dbraw/zinc/33/93/20/411339320.db2.gz MISLCBUYIUMPAF-UHTWSYAYSA-N 2 0 226.364 1.484 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C2CCC2)C1 ZINC000653763487 411344601 /nfs/dbraw/zinc/34/46/01/411344601.db2.gz LZDFPVCYYDQNOS-UONOGXRCSA-N 2 0 240.391 1.421 20 0 BDADRP CC1(C)[C@H](O)C[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000163362195 168009209 /nfs/dbraw/zinc/00/92/09/168009209.db2.gz HYKLYGYCFDTWPP-JPPWEJMLSA-N 2 0 212.337 1.005 20 0 BDADRP CC1(C[NH2+]C2CC([NH+]3CCCCC3)C2)COC1 ZINC000377159394 168041576 /nfs/dbraw/zinc/04/15/76/168041576.db2.gz WTTARCDPXWWEEB-UHFFFAOYSA-N 2 0 238.375 1.629 20 0 BDADRP CC[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)[C@H](C)CO1 ZINC000404068217 411374418 /nfs/dbraw/zinc/37/44/18/411374418.db2.gz LCVFLMYDEZISJP-FRRDWIJNSA-N 2 0 226.364 1.485 20 0 BDADRP CC(C)[C@H](O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660662433 411375726 /nfs/dbraw/zinc/37/57/26/411375726.db2.gz KDQUBGKKSSUHEG-KGLIPLIRSA-N 2 0 240.391 1.421 20 0 BDADRP C[C@H]1OCC[C@H]1[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000119912826 168179691 /nfs/dbraw/zinc/17/96/91/168179691.db2.gz XWHDGIPELOSKPD-ZIAGYGMSSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CO1 ZINC000657308333 411457632 /nfs/dbraw/zinc/45/76/32/411457632.db2.gz ZLDKPKVDGYBSDE-SGMGOOAPSA-N 2 0 238.375 1.628 20 0 BDADRP CC[C@H]1C[C@@H]([NH2+]CCC[N@H+](C)CCOC)CO1 ZINC000657308052 411460021 /nfs/dbraw/zinc/46/00/21/411460021.db2.gz LUDYLLYRULUBLR-OLZOCXBDSA-N 2 0 244.379 1.112 20 0 BDADRP Cc1c[nH]c(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)n1 ZINC000657312908 411460206 /nfs/dbraw/zinc/46/02/06/411460206.db2.gz MCAPRYBMXCEVPY-NEPJUHHUSA-N 2 0 234.347 1.435 20 0 BDADRP C[C@@H]1CCC[N@H+](C[C@H]2CCOC2)[C@H]1CC[NH3+] ZINC000404409885 411394313 /nfs/dbraw/zinc/39/43/13/411394313.db2.gz BYPHBYIXBKEEHY-UPJWGTAASA-N 2 0 226.364 1.472 20 0 BDADRP CCC(CC)(C[NH3+])NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653050113 411404936 /nfs/dbraw/zinc/40/49/36/411404936.db2.gz BFTAZJJNLBDWLS-LLVKDONJSA-N 2 0 241.379 1.010 20 0 BDADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2nccs2)C1 ZINC000657182825 411417321 /nfs/dbraw/zinc/41/73/21/411417321.db2.gz GEUJRMWOBBYSOF-NSHDSACASA-N 2 0 239.388 1.965 20 0 BDADRP CC[C@H]1C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)CO1 ZINC000657285432 411444572 /nfs/dbraw/zinc/44/45/72/411444572.db2.gz FPRXKFMTBRFMPY-NEPJUHHUSA-N 2 0 228.380 1.731 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000414765635 411445220 /nfs/dbraw/zinc/44/52/20/411445220.db2.gz PWRCUYRKDUWJBP-QWHCGFSZSA-N 2 0 225.380 1.045 20 0 BDADRP CC(C)(CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000405972847 411448313 /nfs/dbraw/zinc/44/83/13/411448313.db2.gz VVFHRZRCNCRECG-RYUDHWBXSA-N 2 0 222.376 1.964 20 0 BDADRP CC[C@H]1C[C@H]([NH2+]CC2CC[NH+](CC)CC2)CO1 ZINC000657346676 411470222 /nfs/dbraw/zinc/47/02/22/411470222.db2.gz HCNAFQUNJHTYPY-KBPBESRZSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)(C)[NH2+]CCN[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415001505 411481730 /nfs/dbraw/zinc/48/17/30/411481730.db2.gz CKUCRQOKZVLIHZ-QWHCGFSZSA-N 2 0 239.407 1.352 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccn(C)n1 ZINC000655803886 411518754 /nfs/dbraw/zinc/51/87/54/411518754.db2.gz GYYYSVGOHXGBQM-SDDRHHMPSA-N 2 0 236.363 1.411 20 0 BDADRP COC(C)(C)[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655803765 411518870 /nfs/dbraw/zinc/51/88/70/411518870.db2.gz DBOKUIZUFWVPSC-UTUOFQBUSA-N 2 0 228.380 1.730 20 0 BDADRP COCC1(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000655818773 411525622 /nfs/dbraw/zinc/52/56/22/411525622.db2.gz UEPODBGEFWIPFY-VXGBXAGGSA-N 2 0 226.364 1.485 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2nccs2)C1 ZINC000655826479 411526900 /nfs/dbraw/zinc/52/69/00/411526900.db2.gz FWKGMZWDTARPIS-AOOOYVTPSA-N 2 0 225.361 1.573 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccccn2)C1 ZINC000655825310 411527050 /nfs/dbraw/zinc/52/70/50/411527050.db2.gz DGYRNTGYSXKXJD-BJHJDKERSA-N 2 0 219.332 1.511 20 0 BDADRP COCC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000655817704 411528366 /nfs/dbraw/zinc/52/83/66/411528366.db2.gz ODAFBAYGPCGBAQ-STQMWFEESA-N 2 0 238.375 1.629 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)CO1 ZINC000657487411 411530832 /nfs/dbraw/zinc/53/08/32/411530832.db2.gz ARCYGIATJDCWPH-GXTWGEPZSA-N 2 0 245.326 1.991 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)CO1 ZINC000657491137 411531610 /nfs/dbraw/zinc/53/16/10/411531610.db2.gz CGUIKWMHSPFDJX-HZSPNIEDSA-N 2 0 240.391 1.875 20 0 BDADRP CC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371299444 170005179 /nfs/dbraw/zinc/00/51/79/170005179.db2.gz HAWMDVSBFFVRPD-IJLUTSLNSA-N 2 0 212.337 1.190 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccncc2)[C@H](C)C1 ZINC000268988998 170011279 /nfs/dbraw/zinc/01/12/79/170011279.db2.gz FSDOJYBFMIGVKM-UKRRQHHQSA-N 2 0 247.386 1.944 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cnccn2)[C@@H](C)C1 ZINC000341887055 170013108 /nfs/dbraw/zinc/01/31/08/170013108.db2.gz KEFQGJDNPRKXLA-GXTWGEPZSA-N 2 0 248.374 1.339 20 0 BDADRP CC[N@@H+]1CC[C@H](CN[C@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000360416467 170016482 /nfs/dbraw/zinc/01/64/82/170016482.db2.gz IFGADPOCTBRJGY-MJBXVCDLSA-N 2 0 239.407 1.258 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cccn2C)C1 ZINC000050595867 170016524 /nfs/dbraw/zinc/01/65/24/170016524.db2.gz HFPNKLHBXNRHLT-GFCCVEGCSA-N 2 0 221.348 1.457 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CCOC2)[C@H](C)C1 ZINC000336717183 170018443 /nfs/dbraw/zinc/01/84/43/170018443.db2.gz WEQIMNQLBVDWTG-MCIONIFRSA-N 2 0 240.391 1.685 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CCCO2)[C@H](C)C1 ZINC000336712197 170019115 /nfs/dbraw/zinc/01/91/15/170019115.db2.gz RPLOZQBBNNFJSL-MCIONIFRSA-N 2 0 240.391 1.828 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCO2)C[C@@H]1C ZINC000336682229 170019366 /nfs/dbraw/zinc/01/93/66/170019366.db2.gz DAQXADRQWFUXPO-IHRRRGAJSA-N 2 0 240.391 1.970 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H](C)OC)[C@@H](C)C1 ZINC000336777494 170020488 /nfs/dbraw/zinc/02/04/88/170020488.db2.gz IQJZUEDFBXPHOY-XQQFMLRXSA-N 2 0 228.380 1.731 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CCC(C)(C)O)[C@H](C)C1 ZINC000336776240 170020585 /nfs/dbraw/zinc/02/05/85/170020585.db2.gz FFWPGSMREZODJT-NEPJUHHUSA-N 2 0 228.380 1.467 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@H](C)OC)[C@H](C)C1 ZINC000336777491 170020896 /nfs/dbraw/zinc/02/08/96/170020896.db2.gz IQJZUEDFBXPHOY-AGIUHOORSA-N 2 0 228.380 1.731 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](OC)C2CC2)[C@H](C)C1 ZINC000340492604 170020932 /nfs/dbraw/zinc/02/09/32/170020932.db2.gz RJNOZLQZJHMGHT-XBFCOCLRSA-N 2 0 240.391 1.731 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)C2CC2)[C@H](C)C1 ZINC000353517826 170021404 /nfs/dbraw/zinc/02/14/04/170021404.db2.gz ZELYBVZGALCHAD-BNOWGMLFSA-N 2 0 240.391 1.325 20 0 BDADRP CC[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CO1 ZINC000657505446 411540000 /nfs/dbraw/zinc/54/00/00/411540000.db2.gz ZLSBTXDKXLFZGA-RVMXOQNASA-N 2 0 226.364 1.484 20 0 BDADRP CC[N@H+]1C[C@H](N[C@H](C)C[NH+](C)C(C)C)[C@@H](C)C1 ZINC000353568076 170037510 /nfs/dbraw/zinc/03/75/10/170037510.db2.gz OTNJAMHLSINZLD-MJBXVCDLSA-N 2 0 241.423 1.645 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN2C(C)(C)C)CO1 ZINC000657526153 411542709 /nfs/dbraw/zinc/54/27/09/411542709.db2.gz BIXHVIIJGDNUNH-IJLUTSLNSA-N 2 0 226.364 1.626 20 0 BDADRP CC[NH2+]Cc1cccc(NC(=O)[C@H]([NH3+])C(C)C)c1 ZINC000131647023 170128229 /nfs/dbraw/zinc/12/82/29/170128229.db2.gz MKHXFXGSVWFZTE-CYBMUJFWSA-N 2 0 249.358 1.718 20 0 BDADRP CC[NH2+][C@@H](C)CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC000358915475 170139547 /nfs/dbraw/zinc/13/95/47/170139547.db2.gz OVFFYFKSUMMCNU-NWDGAFQWSA-N 2 0 243.395 1.221 20 0 BDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCCOC(C)(C)C ZINC000657638068 411567528 /nfs/dbraw/zinc/56/75/28/411567528.db2.gz POCQFCBQBOVRBM-NEPJUHHUSA-N 2 0 228.380 1.731 20 0 BDADRP CCOCCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000336658804 170374375 /nfs/dbraw/zinc/37/43/75/170374375.db2.gz BFXSTWXBGJIGIW-NEPJUHHUSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@H](O)C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000663374841 411641333 /nfs/dbraw/zinc/64/13/33/411641333.db2.gz PDBDPTLFOSDCCO-NSHDSACASA-N 2 0 226.364 1.079 20 0 BDADRP C[NH+](C)CCC[NH2+]C1CC(CF)(CF)C1 ZINC000657815400 411604937 /nfs/dbraw/zinc/60/49/37/411604937.db2.gz CJLZHNWOEHTJHT-UHFFFAOYSA-N 2 0 220.307 1.616 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+]([C@@H]3COC(C)(C)C3)C2)C1 ZINC000660616123 411608155 /nfs/dbraw/zinc/60/81/55/411608155.db2.gz GYRYAQIMWJEQFC-JSGCOSHPSA-N 2 0 238.375 1.582 20 0 BDADRP CC[C@](C)(O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660662658 411615925 /nfs/dbraw/zinc/61/59/25/411615925.db2.gz KNHNZHFDAVSFAH-UONOGXRCSA-N 2 0 240.391 1.565 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1[C@H](C)CCC1(C)C ZINC000660754535 411620997 /nfs/dbraw/zinc/62/09/97/411620997.db2.gz INDUYACNACKHLR-CHWSQXEVSA-N 2 0 242.407 1.950 20 0 BDADRP Cc1cc(CO)cc(N[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000663424542 411656093 /nfs/dbraw/zinc/65/60/93/411656093.db2.gz DZSCEQJFDICMMF-LBPRGKRZSA-N 2 0 247.342 1.531 20 0 BDADRP C([NH2+]CC12CC(C1)C[NH2+]2)C1CCCCC1 ZINC000663497803 411678804 /nfs/dbraw/zinc/67/88/04/411678804.db2.gz KEGFMXIHQLBYHC-UHFFFAOYSA-N 2 0 208.349 1.908 20 0 BDADRP CC(C)C[C@H]([NH3+])CNCC[C@@H]([NH3+])C(C)C ZINC000663502075 411685133 /nfs/dbraw/zinc/68/51/33/411685133.db2.gz FJKXGKMCENERIK-NWDGAFQWSA-N 2 0 215.385 1.323 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCCOCC1 ZINC000663502693 411685558 /nfs/dbraw/zinc/68/55/58/411685558.db2.gz KALZLQCGIANJBJ-VXGBXAGGSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCc3nccnc3C2)CC[NH2+]1 ZINC000663503591 411687166 /nfs/dbraw/zinc/68/71/66/411687166.db2.gz PYKLKTWGYGOMMU-VXGBXAGGSA-N 2 0 246.358 1.223 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000663503288 411687528 /nfs/dbraw/zinc/68/75/28/411687528.db2.gz NHZKVQFABMDTBZ-REWJHTLYSA-N 3 0 239.407 1.338 20 0 BDADRP C[N@H+]1C[C@H]2CN(c3[nH+]ccc4[nH]ccc43)C[C@H]2C1 ZINC000663852531 411762540 /nfs/dbraw/zinc/76/25/40/411762540.db2.gz WWILECLLDXPOFT-PHIMTYICSA-N 2 0 242.326 1.561 20 0 BDADRP CN(CC[NH+](C)C)c1[nH+]ccc2[nH]ccc21 ZINC000663679695 411721350 /nfs/dbraw/zinc/72/13/50/411721350.db2.gz JLOGKDRHMAXWHC-UHFFFAOYSA-N 2 0 218.304 1.561 20 0 BDADRP C[NH2+]CC1CC[NH+](Cc2cnc(N)s2)CC1 ZINC000519650838 411901879 /nfs/dbraw/zinc/90/18/79/411901879.db2.gz KMPCPISHQBSIQC-UHFFFAOYSA-N 2 0 240.376 1.157 20 0 BDADRP O[C@H]1CC[N@@H+](C2CC[NH+](C3CCCC3)CC2)C1 ZINC000662153747 412009050 /nfs/dbraw/zinc/00/90/50/412009050.db2.gz ULDBRDRRTVYQGS-AWEZNQCLSA-N 2 0 238.375 1.460 20 0 BDADRP CCC[N@H+](C)CC(C)(C)NC(=O)C[NH2+]C(C)C ZINC000664718353 412014736 /nfs/dbraw/zinc/01/47/36/412014736.db2.gz CKUHIFHUQCASHA-UHFFFAOYSA-N 2 0 243.395 1.221 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@H]2COC[C@H]2C1 ZINC000662034511 411953790 /nfs/dbraw/zinc/95/37/90/411953790.db2.gz NPRIXJHNLGYKKI-BFHYXJOUSA-N 2 0 238.375 1.439 20 0 BDADRP C[C@@H](CO)[C@@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000662215025 412027600 /nfs/dbraw/zinc/02/76/00/412027600.db2.gz DSAQPNPWDIGGOC-JSGCOSHPSA-N 2 0 240.391 1.469 20 0 BDADRP CCc1nocc1C[NH+]1CCC(C[NH3+])CC1 ZINC000662236228 412034579 /nfs/dbraw/zinc/03/45/79/412034579.db2.gz VZRVTZHKOKFNNW-UHFFFAOYSA-N 2 0 223.320 1.408 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H](OC)C2CCC2)CC[C@H]1[NH3+] ZINC000662270439 412059319 /nfs/dbraw/zinc/05/93/19/412059319.db2.gz KTWIITSETNQHAL-MRVWCRGKSA-N 2 0 240.391 1.861 20 0 BDADRP C[NH2+][C@H]1CCCN(C[C@H](OC)C2CCCC2)C1 ZINC000662245038 412040810 /nfs/dbraw/zinc/04/08/10/412040810.db2.gz HJVPEGCYBULLGG-KBPBESRZSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1cc(CN2CC[C@H]([NH3+])[C@H](C)C2)nc(C)n1 ZINC000662244878 412041226 /nfs/dbraw/zinc/04/12/26/412041226.db2.gz OJSYWVGGKYLRKD-RNCFNFMXSA-N 2 0 234.347 1.263 20 0 BDADRP CO[C@H](C[N@H+](C)CC(C)(C)C[NH3+])C1CCC1 ZINC000662246776 412043853 /nfs/dbraw/zinc/04/38/53/412043853.db2.gz COGYQRPYXPZHIC-GFCCVEGCSA-N 2 0 228.380 1.718 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@@H](C[NH3+])C1)C1CCCC1 ZINC000662247557 412045144 /nfs/dbraw/zinc/04/51/44/412045144.db2.gz XPUFULZXVOHERZ-WCQYABFASA-N 2 0 226.364 1.472 20 0 BDADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249399 412046369 /nfs/dbraw/zinc/04/63/69/412046369.db2.gz MDJWWBMLZNMSSF-NEPJUHHUSA-N 2 0 224.348 1.382 20 0 BDADRP CC(C)CC[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662250263 412046415 /nfs/dbraw/zinc/04/64/15/412046415.db2.gz COOULHHSJVQQBP-LBPRGKRZSA-N 2 0 226.364 1.485 20 0 BDADRP CC[C@H]1CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662252874 412048918 /nfs/dbraw/zinc/04/89/18/412048918.db2.gz QTIWYRXRCXMLDM-QWHCGFSZSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@@H]([N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1)C1(C)CC1 ZINC000662257724 412052340 /nfs/dbraw/zinc/05/23/40/412052340.db2.gz FWKDFMYYRYMZRF-VXGBXAGGSA-N 2 0 238.375 1.628 20 0 BDADRP CC[C@H]1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662259032 412053641 /nfs/dbraw/zinc/05/36/41/412053641.db2.gz OMYURUKUEAANPA-RYUDHWBXSA-N 2 0 224.348 1.239 20 0 BDADRP CC(C)[C@H]1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662259144 412054998 /nfs/dbraw/zinc/05/49/98/412054998.db2.gz QUCPLVLMFXRJNR-STQMWFEESA-N 2 0 238.375 1.485 20 0 BDADRP CO[C@H](C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C)C1CCC1 ZINC000662264731 412055695 /nfs/dbraw/zinc/05/56/95/412055695.db2.gz JZZIBWUBGCERCY-NQBHXWOUSA-N 2 0 226.364 1.471 20 0 BDADRP CC1(C)CCCC[C@@H]1C[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC000662265176 412056102 /nfs/dbraw/zinc/05/61/02/412056102.db2.gz GCNLPGQAGFULKP-CHWSQXEVSA-N 2 0 240.391 1.862 20 0 BDADRP CC1(C)CCC[C@H]1[NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662280438 412071627 /nfs/dbraw/zinc/07/16/27/412071627.db2.gz DNAWVCROTLGIQO-NWDGAFQWSA-N 2 0 238.375 1.676 20 0 BDADRP Cc1nc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)co1 ZINC000662273486 412064597 /nfs/dbraw/zinc/06/45/97/412064597.db2.gz NMAXUPLLENRMFJ-CHWSQXEVSA-N 2 0 249.358 1.805 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662282554 412072634 /nfs/dbraw/zinc/07/26/34/412072634.db2.gz CFLYARCHRNWRHZ-LBELIVKGSA-N 2 0 208.349 1.844 20 0 BDADRP Cc1cc(C[NH+]2CCC(CC[NH3+])CC2)nc(C)n1 ZINC000662283747 412075182 /nfs/dbraw/zinc/07/51/82/412075182.db2.gz KDBZZXVLVQSLGZ-UHFFFAOYSA-N 2 0 248.374 1.654 20 0 BDADRP CC[C@H](C)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000304496334 171281340 /nfs/dbraw/zinc/28/13/40/171281340.db2.gz CERHYWJVOMMFPP-QWHCGFSZSA-N 2 0 225.380 1.012 20 0 BDADRP C[C@H](N)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294688 412082353 /nfs/dbraw/zinc/08/23/53/412082353.db2.gz RVWOFMLASURNBT-AAEUAGOBSA-N 2 0 225.380 1.045 20 0 BDADRP CC(C)[NH2+]CC(=O)Nc1cccc(C[NH3+])c1 ZINC000662392943 412143203 /nfs/dbraw/zinc/14/32/03/412143203.db2.gz OJUDRIZVYYYQLT-UHFFFAOYSA-N 2 0 221.304 1.082 20 0 BDADRP FCC[C@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000662312189 412093861 /nfs/dbraw/zinc/09/38/61/412093861.db2.gz XAZLQCWLYBTLIF-VXGBXAGGSA-N 2 0 214.328 1.668 20 0 BDADRP C[NH2+]CCC[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000662317243 412097641 /nfs/dbraw/zinc/09/76/41/412097641.db2.gz WFPYXFCKGUGULA-CQSZACIVSA-N 2 0 240.391 1.877 20 0 BDADRP C[N@H+](CCOCC[NH3+])C[C@@H]1CCc2ccccc21 ZINC000662321095 412100091 /nfs/dbraw/zinc/10/00/91/412100091.db2.gz GXOFSAOZBPDVKZ-AWEZNQCLSA-N 2 0 248.370 1.624 20 0 BDADRP CC1(C)CC[NH2+][C@@H]1C(=O)Nc1cccc(C[NH3+])c1 ZINC000662392277 412142954 /nfs/dbraw/zinc/14/29/54/412142954.db2.gz HIQAPWSHQRXMAQ-GFCCVEGCSA-N 2 0 247.342 1.472 20 0 BDADRP COC[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])C1CCOCC1 ZINC000665236380 412177187 /nfs/dbraw/zinc/17/71/87/412177187.db2.gz LNSSRMWDYIHQJW-GVXVVHGQSA-N 2 0 244.379 1.143 20 0 BDADRP CC[C@H](C)CC[NH2+][C@@H](CCC[NH3+])COC ZINC000665238106 412178643 /nfs/dbraw/zinc/17/86/43/412178643.db2.gz QRRBYYKQUYMUGB-RYUDHWBXSA-N 2 0 216.369 1.766 20 0 BDADRP Cc1ccncc1CC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000665238767 412179020 /nfs/dbraw/zinc/17/90/20/412179020.db2.gz DAXDBSVDUJGMQZ-NWDGAFQWSA-N 2 0 221.348 1.648 20 0 BDADRP C([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCO1 ZINC000665237446 412179110 /nfs/dbraw/zinc/17/91/10/412179110.db2.gz BAMGLMFKXOAZDY-AYLPWXGPSA-N 2 0 210.321 1.038 20 0 BDADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C/C=C/CO ZINC000665239142 412180091 /nfs/dbraw/zinc/18/00/91/412180091.db2.gz MWKWKMWSWOPRKU-FSIBCCDJSA-N 2 0 235.331 1.048 20 0 BDADRP C[C@@H](CC[NH3+])NC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662552893 412214662 /nfs/dbraw/zinc/21/46/62/412214662.db2.gz UZORQYZPQKSTQM-GXFFZTMASA-N 2 0 247.342 1.075 20 0 BDADRP FC1(F)C[C@@H]1OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000665244072 412186689 /nfs/dbraw/zinc/18/66/89/412186689.db2.gz FXLZISSKLUIJQA-IXMYILBSSA-N 2 0 246.301 1.283 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCO[C@@H]2CC2(F)F)C1 ZINC000665244702 412188566 /nfs/dbraw/zinc/18/85/66/412188566.db2.gz TYCPBXLXOWCWLH-OPRDCNLKSA-N 2 0 234.290 1.270 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)C1C[NH2+]C1 ZINC000665273691 412214904 /nfs/dbraw/zinc/21/49/04/412214904.db2.gz BQVFXCIEMHJLBE-VXNVDRBHSA-N 2 0 218.291 1.475 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1NCC1([NH3+])CCCC1 ZINC000665246690 412191468 /nfs/dbraw/zinc/19/14/68/412191468.db2.gz LORQHYSPJDATNZ-RYUDHWBXSA-N 2 0 225.380 1.508 20 0 BDADRP C[C@@H]([NH2+]CC1([NH3+])CCCC1)[C@H]1CCCO1 ZINC000665247975 412193759 /nfs/dbraw/zinc/19/37/59/412193759.db2.gz MXPNGGBNYFCZFZ-GHMZBOCLSA-N 2 0 212.337 1.415 20 0 BDADRP CC[C@@H]([NH2+]C)C(=O)Nc1ccc2[nH]c(C)nc2c1 ZINC000662493187 412194278 /nfs/dbraw/zinc/19/42/78/412194278.db2.gz ZEOKHJPWNGQRPB-SNVBAGLBSA-N 2 0 246.314 1.808 20 0 BDADRP CC[C@@H](O)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000665261851 412204361 /nfs/dbraw/zinc/20/43/61/412204361.db2.gz NCFAYMQSUVPCPF-ZOBORPQBSA-N 2 0 240.391 1.658 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CCC[C@@H](C)O1 ZINC000665265118 412208573 /nfs/dbraw/zinc/20/85/73/412208573.db2.gz PRCQIFYBYSHCPM-NNYUYHANSA-N 2 0 214.353 1.659 20 0 BDADRP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2C[NH3+])O1 ZINC000665265115 412208732 /nfs/dbraw/zinc/20/87/32/412208732.db2.gz PQJSCCIVXHPZQT-YVECIDJPSA-N 2 0 226.364 1.661 20 0 BDADRP CC[NH2+]Cc1cccc(NC(=O)[C@H]2C[C@H]([NH3+])C2)c1 ZINC000662398904 412147477 /nfs/dbraw/zinc/14/74/77/412147477.db2.gz LDEPDMIHUVGLQS-HAQNSBGRSA-N 2 0 247.342 1.472 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCc2cc(N)ccc21)C1C[NH2+]C1 ZINC000665271249 412213796 /nfs/dbraw/zinc/21/37/96/412213796.db2.gz JULKOCNJCGRVFU-LKFCYVNXSA-N 2 0 231.343 1.454 20 0 BDADRP CC[C@@H]([NH2+]C)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000662418893 412160097 /nfs/dbraw/zinc/16/00/97/412160097.db2.gz XYNUFISJZFYCNV-NEPJUHHUSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@H]([NH2+][C@H]1CCc2cc(N)ccc21)C1C[NH2+]C1 ZINC000665271251 412214299 /nfs/dbraw/zinc/21/42/99/412214299.db2.gz JULKOCNJCGRVFU-XPTSAGLGSA-N 2 0 231.343 1.454 20 0 BDADRP COC[C@H](CC[NH2+][C@H]1CCCC[C@H]1C[NH3+])OC ZINC000665234957 412173539 /nfs/dbraw/zinc/17/35/39/412173539.db2.gz MWORFKALBQMTPK-AVGNSLFASA-N 2 0 244.379 1.145 20 0 BDADRP COC[C@H](CC[NH2+][C@H]1CCCC[C@@H]1C[NH3+])OC ZINC000665234956 412174134 /nfs/dbraw/zinc/17/41/34/412174134.db2.gz MWORFKALBQMTPK-AGIUHOORSA-N 2 0 244.379 1.145 20 0 BDADRP [NH3+][C@H](C(=O)NCC1([NH3+])CCCC1)c1ccccc1 ZINC000662654563 412258588 /nfs/dbraw/zinc/25/85/88/412258588.db2.gz JISSZZCBVGEISM-LBPRGKRZSA-N 2 0 247.342 1.074 20 0 BDADRP Cc1cncc(CC[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)n1 ZINC000665274485 412217469 /nfs/dbraw/zinc/21/74/69/412217469.db2.gz QYULAMWOQGFMAU-FZMZJTMJSA-N 2 0 248.374 1.305 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000665274141 412217949 /nfs/dbraw/zinc/21/79/49/412217949.db2.gz KPBKTTHBRUULMV-MELADBBJSA-N 2 0 239.407 1.720 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000665274662 412218043 /nfs/dbraw/zinc/21/80/43/412218043.db2.gz VLXFNISJNCAOQS-CIUDSAMLSA-N 2 0 220.307 1.993 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CCC[C@H]1[NH3+])C1CCCC1 ZINC000665275437 412218500 /nfs/dbraw/zinc/21/85/00/412218500.db2.gz KUEFUDXVMMIKDA-FRRDWIJNSA-N 2 0 226.364 1.661 20 0 BDADRP C([NH2+][C@@H]1CC[C@@H]1C1CCC1)C12CC(C1)C[NH2+]2 ZINC000665279467 412220519 /nfs/dbraw/zinc/22/05/19/412220519.db2.gz CWZWDUSDONIJRP-ATDZDNBSSA-N 2 0 220.360 1.907 20 0 BDADRP C([NH2+][C@H]1CC[C@H]1C1CCC1)C12CC(C1)C[NH2+]2 ZINC000665279468 412221081 /nfs/dbraw/zinc/22/10/81/412221081.db2.gz CWZWDUSDONIJRP-IFFXXYNGSA-N 2 0 220.360 1.907 20 0 BDADRP C[N@@H+]1CC[C@H](NCC23CC(C2)C[NH2+]3)[C@H]2CCC[C@@H]21 ZINC000665279623 412222425 /nfs/dbraw/zinc/22/24/25/412222425.db2.gz HNFNXGLDEPXQDN-IUWDBWQKSA-N 2 0 249.402 1.201 20 0 BDADRP CC[C@H]([NH2+]C)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000662569485 412223668 /nfs/dbraw/zinc/22/36/68/412223668.db2.gz QSAFRKGNNNWBQS-LBPRGKRZSA-N 2 0 233.315 1.226 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CCO[C@H](C)C1 ZINC000665280513 412224319 /nfs/dbraw/zinc/22/43/19/412224319.db2.gz DXIAUCAKZSPSQL-GRYCIOLGSA-N 2 0 214.353 1.517 20 0 BDADRP C([NH2+][C@H](C1CC1)C1CCC1)C12CC(C1)C[NH2+]2 ZINC000665280069 412224960 /nfs/dbraw/zinc/22/49/60/412224960.db2.gz SFGPJYLKUTWHKU-AWAWDMARSA-N 2 0 220.360 1.907 20 0 BDADRP [NH3+][C@H]1C[C@@H](NCC23CC(C2)C[NH2+]3)c2ccccc21 ZINC000665280208 412225268 /nfs/dbraw/zinc/22/52/68/412225268.db2.gz VUJOBJPOBIXYRH-NSDPGXDNSA-N 2 0 243.354 1.473 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000665280455 412225337 /nfs/dbraw/zinc/22/53/37/412225337.db2.gz BWJUHNHPQMLPLV-FRRDWIJNSA-N 2 0 227.396 1.432 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccnn1C ZINC000665281441 412225813 /nfs/dbraw/zinc/22/58/13/412225813.db2.gz CEOVBUQOQHSMBD-WDEREUQCSA-N 2 0 224.352 1.444 20 0 BDADRP CCCC[C@H](C)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665289435 412234978 /nfs/dbraw/zinc/23/49/78/412234978.db2.gz NXBZRVGVJPSPIT-VIFPVBQESA-N 2 0 238.335 1.309 20 0 BDADRP CC(C)C[C@H](C)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665289403 412235097 /nfs/dbraw/zinc/23/50/97/412235097.db2.gz NKAZCPKQGZWAOS-VIFPVBQESA-N 2 0 238.335 1.165 20 0 BDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC(C)(C)[NH3+] ZINC000662845561 412320101 /nfs/dbraw/zinc/32/01/01/412320101.db2.gz UORPTWFGNPXOHR-LLVKDONJSA-N 2 0 241.379 1.057 20 0 BDADRP CCc1nccn1Cc1cc(OC)ccn1 ZINC000158499102 172027582 /nfs/dbraw/zinc/02/75/82/172027582.db2.gz BZFVPTWQISTTOM-UHFFFAOYSA-N 2 0 217.272 1.897 20 0 BDADRP CCc1nocc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000339342022 172098482 /nfs/dbraw/zinc/09/84/82/172098482.db2.gz YHBNZAZTJGBVLC-UHFFFAOYSA-N 2 0 235.331 1.589 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH2+]C2CCOCC2)C1 ZINC000044533439 173042869 /nfs/dbraw/zinc/04/28/69/173042869.db2.gz SYVKJBXYMPBTCB-LLVKDONJSA-N 2 0 212.337 1.097 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCC[C@@H](CO)C1 ZINC000372880294 173049483 /nfs/dbraw/zinc/04/94/83/173049483.db2.gz KUYRQVZDYORSQP-KGLIPLIRSA-N 2 0 240.391 1.565 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(CO)CC1 ZINC000305100214 173050489 /nfs/dbraw/zinc/05/04/89/173050489.db2.gz BDTUDDKTOQYZJV-ZDUSSCGKSA-N 2 0 226.364 1.175 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1C[C@H](O)C(C)(C)C1 ZINC000336250374 173052362 /nfs/dbraw/zinc/05/23/62/173052362.db2.gz LGXMCUYQHYORPA-RYUDHWBXSA-N 2 0 226.364 1.173 20 0 BDADRP C[N@@H+]1CC[C@@H](CNC(N)=[NH2+])[C@@H]1c1cccs1 ZINC000361940765 173111473 /nfs/dbraw/zinc/11/14/73/173111473.db2.gz CFRBOCYRDOHLNZ-WCBMZHEXSA-N 2 0 238.360 1.224 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CCF)[C@H]2CCC[C@@H]21 ZINC000306939467 173151675 /nfs/dbraw/zinc/15/16/75/173151675.db2.gz KMAWFFWXGOEKAX-VWYCJHECSA-N 2 0 200.301 1.418 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CCn2cccn2)[C@H]2CCC[C@@H]21 ZINC000353391234 173153091 /nfs/dbraw/zinc/15/30/91/173153091.db2.gz BILIBESGWFOOQJ-RDBSUJKOSA-N 2 0 248.374 1.346 20 0 BDADRP C[NH2+]CC1CC[NH+](Cc2cnccc2C)CC1 ZINC000135499298 173338671 /nfs/dbraw/zinc/33/86/71/173338671.db2.gz GDHZODYZYGEMIQ-UHFFFAOYSA-N 2 0 233.359 1.821 20 0 BDADRP C[NH2+]CCC(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000262355590 173342316 /nfs/dbraw/zinc/34/23/16/173342316.db2.gz JQITZFFDNNSQES-UHFFFAOYSA-N 2 0 249.358 1.339 20 0 BDADRP C[NH2+]CCN(C)C(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000131770751 173352083 /nfs/dbraw/zinc/35/20/83/173352083.db2.gz MEZFOOJVSSWFJT-DGCLKSJQSA-N 2 0 249.358 1.000 20 0 BDADRP C[NH2+]CCN(C)C(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000131770367 173352355 /nfs/dbraw/zinc/35/23/55/173352355.db2.gz MEZFOOJVSSWFJT-YPMHNXCESA-N 2 0 249.358 1.000 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000082581717 173367640 /nfs/dbraw/zinc/36/76/40/173367640.db2.gz NQYSYHOCEJEYKG-STQMWFEESA-N 2 0 226.364 1.344 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](Cc2cccs2)C1 ZINC000053030937 173381493 /nfs/dbraw/zinc/38/14/93/173381493.db2.gz JOLSFSOSHYGCQN-SNVBAGLBSA-N 2 0 210.346 1.789 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000011891984 173381977 /nfs/dbraw/zinc/38/19/77/173381977.db2.gz WAIOZZUVVFJNJE-CQSZACIVSA-N 2 0 218.344 1.770 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000295252211 173388944 /nfs/dbraw/zinc/38/89/44/173388944.db2.gz QKYJSGQQHPIUIW-NEPJUHHUSA-N 2 0 247.342 1.472 20 0 BDADRP CC[NH2+]CCC[NH2+][C@H]1C[C@H](OCC)C12CCC2 ZINC000564822260 322930833 /nfs/dbraw/zinc/93/08/33/322930833.db2.gz JHZAAUBEBFFVBM-STQMWFEESA-N 2 0 240.391 1.923 20 0 BDADRP COC1(C[NH2+]C[C@H](C)C[NH+](C)C)CCCC1 ZINC000336763198 174002031 /nfs/dbraw/zinc/00/20/31/174002031.db2.gz MBYXCAZAOQIMLB-LBPRGKRZSA-N 2 0 228.380 1.733 20 0 BDADRP COCC(C)(C)C[NH2+][C@@H](C)CCC[NH3+] ZINC000336694421 174074838 /nfs/dbraw/zinc/07/48/38/174074838.db2.gz RPJCAGTXRWIJCC-JTQLQIEISA-N 2 0 202.342 1.376 20 0 BDADRP COCC(C)(C)C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000336762511 174076881 /nfs/dbraw/zinc/07/68/81/174076881.db2.gz LKJTWSKSEZLPAL-RYUDHWBXSA-N 2 0 228.380 1.589 20 0 BDADRP COCC1(C[NH2+]CC2CC2)CC[NH2+]CC1 ZINC000234711419 174103898 /nfs/dbraw/zinc/10/38/98/174103898.db2.gz WDFAEAWCUNSEMB-UHFFFAOYSA-N 2 0 212.337 1.002 20 0 BDADRP COCCC1(C[NH2+][C@H](C)CCCC[NH3+])CC1 ZINC000309341410 174156788 /nfs/dbraw/zinc/15/67/88/174156788.db2.gz KTBQUJIWSORYMS-GFCCVEGCSA-N 2 0 228.380 1.910 20 0 BDADRP COCCC[C@@H](C)[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000309942348 174261861 /nfs/dbraw/zinc/26/18/61/174261861.db2.gz CBMJBWREHWUYPS-VXGBXAGGSA-N 2 0 226.364 1.628 20 0 BDADRP COCC[N@H+](CC(C)C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000234627389 174287278 /nfs/dbraw/zinc/28/72/78/174287278.db2.gz SUTCLAISVNXZNU-UONOGXRCSA-N 2 0 242.407 1.979 20 0 BDADRP COCC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063199671 174305213 /nfs/dbraw/zinc/30/52/13/174305213.db2.gz ZQAZRKSMSYRGLN-GFCCVEGCSA-N 2 0 212.337 1.097 20 0 BDADRP COCC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374172517 174305283 /nfs/dbraw/zinc/30/52/83/174305283.db2.gz FTWRPMREULQZMO-UHFFFAOYSA-N 2 0 226.364 1.441 20 0 BDADRP COCC[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000045038810 174382367 /nfs/dbraw/zinc/38/23/67/174382367.db2.gz NDNMLGROEKHAES-LLVKDONJSA-N 2 0 214.353 1.343 20 0 BDADRP COC[C@H](C)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063197327 174539011 /nfs/dbraw/zinc/53/90/11/174539011.db2.gz JQGDBFJQYQCHAS-WCQYABFASA-N 2 0 226.364 1.485 20 0 BDADRP COCc1cccc(C[NH2+]C[C@H](C)C[NH3+])c1 ZINC000336649418 174630259 /nfs/dbraw/zinc/63/02/59/174630259.db2.gz DEXPAWZRRHUJMH-LLVKDONJSA-N 2 0 222.332 1.517 20 0 BDADRP CO[C@H](C[NH2+][C@H](C)CCC[NH3+])C(C)C ZINC000362976089 174869317 /nfs/dbraw/zinc/86/93/17/174869317.db2.gz JDWNRQNJWZGMFL-GHMZBOCLSA-N 2 0 202.342 1.374 20 0 BDADRP COc1ccc(C[NH2+][C@@H](C)CCC[NH3+])cc1 ZINC000309420011 175109418 /nfs/dbraw/zinc/10/94/18/175109418.db2.gz LFLVGDMEKRHVND-NSHDSACASA-N 2 0 222.332 1.912 20 0 BDADRP COc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cn1 ZINC000162224608 175112261 /nfs/dbraw/zinc/11/22/61/175112261.db2.gz JBTNUVQGUHRAPF-LBPRGKRZSA-N 2 0 235.331 1.322 20 0 BDADRP COc1cccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000011888384 175259142 /nfs/dbraw/zinc/25/91/42/175259142.db2.gz ZCGDLFYNBVNLPX-CYBMUJFWSA-N 2 0 234.343 1.866 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CO[C@@H](C3CC3)C2)C1 ZINC000668294742 487631320 /nfs/dbraw/zinc/63/13/20/487631320.db2.gz BTUCOMQICDDVOT-RUZUBIRVSA-N 2 0 238.375 1.484 20 0 BDADRP C[C@@H](c1ccccn1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527869 176027355 /nfs/dbraw/zinc/02/73/55/176027355.db2.gz VBWYLAFWDFPCCZ-NWDGAFQWSA-N 2 0 219.332 1.813 20 0 BDADRP C[C@@H]1CCCC[C@H]1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000309461374 176084760 /nfs/dbraw/zinc/08/47/60/176084760.db2.gz OWMHBMYXQLSWLO-RQJABVFESA-N 2 0 222.376 1.964 20 0 BDADRP C[C@@H]1CCC[C@@H](C[N@H+](C)C[C@@H](O)C[NH3+])C1 ZINC000336766001 176117868 /nfs/dbraw/zinc/11/78/68/176117868.db2.gz RRTVQAPNOBEAIV-UTUOFQBUSA-N 2 0 214.353 1.064 20 0 BDADRP C[C@@H]1CCC[C@@H]([N@H+](C)CCN2CC[NH2+]CC2)C1 ZINC000042318336 176120583 /nfs/dbraw/zinc/12/05/83/176120583.db2.gz VPTBAQGAJQIDPT-ZIAGYGMSSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@@H]1CCC[C@@H]([NH2+]C[C@](C)(O)C[NH+](C)C)C1 ZINC000125909137 176123386 /nfs/dbraw/zinc/12/33/86/176123386.db2.gz BZXPSSROKQXMKQ-UPJWGTAASA-N 2 0 228.380 1.467 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CC(C)(F)C1 ZINC000335004746 176185629 /nfs/dbraw/zinc/18/56/29/176185629.db2.gz DTPPEROUUJBIKA-ZYGVAYEYSA-N 2 0 214.328 1.855 20 0 BDADRP C[C@@H]1CC[C@@H](C)[NH+]1C[C@H](O)CN(C)C1CC1 ZINC000336674178 176200273 /nfs/dbraw/zinc/20/02/73/176200273.db2.gz UKFKASZJLGEMRL-NQBHXWOUSA-N 2 0 226.364 1.314 20 0 BDADRP C[C@@H]1CC[C@@H](N2CCC(C[NH+](C)C)CC2)C[NH2+]1 ZINC000062948856 176208704 /nfs/dbraw/zinc/20/87/04/176208704.db2.gz NBSXSYRRANOGET-TZMCWYRMSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCn1cccn1 ZINC000127051777 176268971 /nfs/dbraw/zinc/26/89/71/176268971.db2.gz FBJAMFOJVQVQHN-OLZOCXBDSA-N 2 0 236.363 1.203 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000305118725 176269404 /nfs/dbraw/zinc/26/94/04/176269404.db2.gz GIQLZURUDCBUDA-SYQHCUMBSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCNc1ccccn1 ZINC000361881822 176269507 /nfs/dbraw/zinc/26/95/07/176269507.db2.gz WXZISAPZROZEBG-OLZOCXBDSA-N 2 0 248.374 1.423 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cccc(CO)c1 ZINC000361184537 176269633 /nfs/dbraw/zinc/26/96/33/176269633.db2.gz SIWYSGKGQUFRHK-DOMZBBRYSA-N 2 0 248.370 1.609 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCN1CC=CCC1 ZINC000359075424 176271011 /nfs/dbraw/zinc/27/10/11/176271011.db2.gz ZIBLBICMTMDSFS-ZIAGYGMSSA-N 2 0 237.391 1.178 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1cccnc1 ZINC000037718075 176277972 /nfs/dbraw/zinc/27/79/72/176277972.db2.gz FOAGROGKXPAVDW-UMVBOHGHSA-N 2 0 247.386 1.942 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCOCC1CC1 ZINC000300409613 176278090 /nfs/dbraw/zinc/27/80/90/176278090.db2.gz AUISGBRQZWNARA-YRGRVCCFSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCOCC1CC1 ZINC000300409611 176278375 /nfs/dbraw/zinc/27/83/75/176278375.db2.gz AUISGBRQZWNARA-BZPMIXESSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCN1CCC1 ZINC000336783271 176278517 /nfs/dbraw/zinc/27/85/17/176278517.db2.gz ZYHNOMRDLOTUFT-UPJWGTAASA-N 2 0 225.380 1.010 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1cnccn1 ZINC000341901520 176278765 /nfs/dbraw/zinc/27/87/65/176278765.db2.gz YWNSGEWQDQZGNX-BZPMIXESSA-N 2 0 248.374 1.337 20 0 BDADRP C[C@@H]1C[N@H+](CCCCCC[NH3+])CCO1 ZINC000020072038 176287844 /nfs/dbraw/zinc/28/78/44/176287844.db2.gz NHHOKGTZTMXXSZ-LLVKDONJSA-N 2 0 200.326 1.226 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)CCCO1 ZINC000336339499 176292206 /nfs/dbraw/zinc/29/22/06/176292206.db2.gz DMCIAUJLENBEFD-KGLIPLIRSA-N 2 0 240.391 1.972 20 0 BDADRP C[C@@H]1COCC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000336453312 176332585 /nfs/dbraw/zinc/33/25/85/176332585.db2.gz JMMOBBXRSYFFOS-STQMWFEESA-N 2 0 226.364 1.439 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCOC[C@H]1C ZINC000300853952 176342480 /nfs/dbraw/zinc/34/24/80/176342480.db2.gz MGHREHGTMCQQNG-UTUOFQBUSA-N 2 0 214.353 1.341 20 0 BDADRP C[C@@H]1CSCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000069760986 176351431 /nfs/dbraw/zinc/35/14/31/176351431.db2.gz FHLDLVBBIKCMIF-SNVBAGLBSA-N 2 0 214.378 1.423 20 0 BDADRP C[C@@H]1CSCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000069760974 176351706 /nfs/dbraw/zinc/35/17/06/176351706.db2.gz FHAXUIDBHUFNHA-GHMZBOCLSA-N 2 0 214.378 1.423 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccccc1F ZINC000122305890 176367777 /nfs/dbraw/zinc/36/77/77/176367777.db2.gz RTTHBULMCQWFEZ-MNOVXSKESA-N 2 0 222.307 1.995 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H](N(C)C)C2)CC[NH2+]1 ZINC000235381353 176369031 /nfs/dbraw/zinc/36/90/31/176369031.db2.gz BCMKPXANTOKINI-HZSPNIEDSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(CO)CCC1 ZINC000336781017 177234111 /nfs/dbraw/zinc/23/41/11/177234111.db2.gz SZLIKELGLHQLOS-NWDGAFQWSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCC[NH+](C)C ZINC000336781218 177235131 /nfs/dbraw/zinc/23/51/31/177235131.db2.gz UCIYIYDWDSGYRQ-QWHCGFSZSA-N 3 0 227.396 1.258 20 0 BDADRP C[C@H]1C[N@H+](C)C[C@H]1NCCC[NH+]1CCCC1 ZINC000336775795 177237642 /nfs/dbraw/zinc/23/76/42/177237642.db2.gz CSFAFHIOJIJHDV-QWHCGFSZSA-N 2 0 225.380 1.012 20 0 BDADRP C[C@H]1C[N@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000020593523 177246141 /nfs/dbraw/zinc/24/61/41/177246141.db2.gz MOPRGPJPFXJIDQ-NSHDSACASA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H]1C[C@H](C)C[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000062910919 177312584 /nfs/dbraw/zinc/31/25/84/177312584.db2.gz VBRYHUGSDUOQLK-FRRDWIJNSA-N 2 0 210.365 1.964 20 0 BDADRP C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000019516123 177313642 /nfs/dbraw/zinc/31/36/42/177313642.db2.gz BZNDIWKLEZLXFA-FRRDWIJNSA-N 2 0 210.365 1.964 20 0 BDADRP C[C@H]1C[C@@H](C[N@H+](C)Cc2cnn(C)c2)CC[NH2+]1 ZINC000235698093 177323378 /nfs/dbraw/zinc/32/33/78/177323378.db2.gz XMTQVRCUQVIQIJ-RYUDHWBXSA-N 2 0 236.363 1.240 20 0 BDADRP C[C@H]1C[C@@H](C[N@H+](C)CCc2ccncc2)CC[NH2+]1 ZINC000235697434 177323472 /nfs/dbraw/zinc/32/34/72/177323472.db2.gz HANPSVVASNAOPF-ZFWWWQNUSA-N 2 0 247.386 1.944 20 0 BDADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccncc1 ZINC000126714123 177324499 /nfs/dbraw/zinc/32/44/99/177324499.db2.gz AWEFBCCWZRHCNQ-JQWIXIFHSA-N 2 0 205.305 1.251 20 0 BDADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccnc1 ZINC000122329415 177324731 /nfs/dbraw/zinc/32/47/31/177324731.db2.gz SDQQBWIEYVEAPQ-JQWIXIFHSA-N 2 0 205.305 1.251 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C[C@H](C)O1 ZINC000235699691 177325081 /nfs/dbraw/zinc/32/50/81/177325081.db2.gz JLKIDSWYXTVNJX-RVMXOQNASA-N 2 0 226.364 1.484 20 0 BDADRP C[C@H]1C[C@@H]([N@H+](C)CC2CC[NH2+]CC2)CCN1C ZINC000132992990 177326518 /nfs/dbraw/zinc/32/65/18/177326518.db2.gz NKXJFJKKLJMUBG-JSGCOSHPSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1cccnc1 ZINC000037718076 177332693 /nfs/dbraw/zinc/33/26/93/177332693.db2.gz FOAGROGKXPAVDW-VNHYZAJKSA-N 2 0 247.386 1.942 20 0 BDADRP C[C@H]1C[C@@H]1C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000336777888 177345165 /nfs/dbraw/zinc/34/51/65/177345165.db2.gz JTJDEQUTWQVTCC-NWDGAFQWSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCC(C)(C)O)CN1C1CC1 ZINC000336659702 177369129 /nfs/dbraw/zinc/36/91/29/177369129.db2.gz NJCZXSCIOYELOL-QWRGUYRKSA-N 2 0 226.364 1.362 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC2=CC[N@H+](C)CC2)CCO1 ZINC000309809391 177369159 /nfs/dbraw/zinc/36/91/59/177369159.db2.gz TVRMEVCSVAESAC-WCQYABFASA-N 2 0 224.348 1.405 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCc2cccnc2)CC[N@@H+]1C ZINC000130003275 177370398 /nfs/dbraw/zinc/37/03/98/177370398.db2.gz WYNUODVGAAGAPC-GXTWGEPZSA-N 2 0 233.359 1.696 20 0 BDADRP C[C@H](C[NH2+]C[C@@H]1C[C@@H]1C)C[NH+]1CCCC1 ZINC000336765718 177381810 /nfs/dbraw/zinc/38/18/10/177381810.db2.gz RKBDWUYFRGHQBB-AGIUHOORSA-N 2 0 210.365 1.964 20 0 BDADRP C[C@H]1OCC[N@H+](CCC2CC[NH2+]CC2)[C@@H]1C ZINC000335663077 177398497 /nfs/dbraw/zinc/39/84/97/177398497.db2.gz LFPMDVKKJPZGNC-VXGBXAGGSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H](C[N@@H+]1CCCO[C@@H](C[NH3+])C1)C(C)(C)C ZINC000313339231 487640536 /nfs/dbraw/zinc/64/05/36/487640536.db2.gz BWIOLBFBDXUMMN-NEPJUHHUSA-N 2 0 228.380 1.718 20 0 BDADRP COCC[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400391890 225149960 /nfs/dbraw/zinc/14/99/60/225149960.db2.gz NMUPEBJRPDIANY-GARJFASQSA-N 2 0 200.326 1.142 20 0 BDADRP C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1CCC[NH2+]1 ZINC000400358533 226341588 /nfs/dbraw/zinc/34/15/88/226341588.db2.gz BFVOKIRQKHPTGC-REWJHTLYSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000400360918 226341855 /nfs/dbraw/zinc/34/18/55/226341855.db2.gz BWYITTKGILZKKP-OUCADQQQSA-N 2 0 237.391 1.201 20 0 BDADRP C[C@@H]([NH2+]CC(C)(C)C(C)(C)O)[C@@H]1CCC[NH2+]1 ZINC000400407134 226342729 /nfs/dbraw/zinc/34/27/29/226342729.db2.gz SBMJZLDVTFKQIA-MNOVXSKESA-N 2 0 228.380 1.514 20 0 BDADRP C[C@H]([NH2+]CC(C)(C)CCCO)[C@H]1CCC[NH2+]1 ZINC000400464197 226344092 /nfs/dbraw/zinc/34/40/92/226344092.db2.gz SIKXITQALNNFRM-NWDGAFQWSA-N 2 0 228.380 1.515 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCC[C@@H]1CCOC1 ZINC000400541956 226346101 /nfs/dbraw/zinc/34/61/01/226346101.db2.gz KUKJULOLJIJHHQ-MCIONIFRSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400770005 226351639 /nfs/dbraw/zinc/35/16/39/226351639.db2.gz ZZHMEQGNZCZOEZ-WOPDTQHZSA-N 2 0 214.353 1.125 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400770002 226351659 /nfs/dbraw/zinc/35/16/59/226351659.db2.gz ZZHMEQGNZCZOEZ-GRYCIOLGSA-N 2 0 214.353 1.125 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cccc(O)c2)C1 ZINC000335588918 487652741 /nfs/dbraw/zinc/65/27/41/487652741.db2.gz AFQXEGQMDSYAEI-RYUDHWBXSA-N 2 0 220.316 1.752 20 0 BDADRP CC(C)C[NH2+]CCCN(C)CC[NH+](C)C ZINC000082540768 487670064 /nfs/dbraw/zinc/67/00/64/487670064.db2.gz AGRBQTLETHOTNR-UHFFFAOYSA-N 2 0 215.385 1.116 20 0 BDADRP CC[NH+](CC)CCCN[C@H]1C[NH2+]C[C@@H](C)C1 ZINC000401706985 487682846 /nfs/dbraw/zinc/68/28/46/487682846.db2.gz FJSPHDCGSTWPIY-QWHCGFSZSA-N 2 0 227.396 1.306 20 0 BDADRP Cc1cncc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000228622785 487696457 /nfs/dbraw/zinc/69/64/57/487696457.db2.gz BVKWSKHIMZGGMB-DGCLKSJQSA-N 2 0 219.332 1.559 20 0 BDADRP Cc1cc(C)c(C[NH2+][C@H]2CCC[C@H]2C[NH3+])cn1 ZINC000396973369 262829786 /nfs/dbraw/zinc/82/97/86/262829786.db2.gz IFPUXHSPNCWFIP-JSGCOSHPSA-N 2 0 233.359 1.915 20 0 BDADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@H]1C[C@H]1C ZINC000397549945 262926665 /nfs/dbraw/zinc/92/66/65/262926665.db2.gz RXQHYUINZMFLIL-WOPDTQHZSA-N 2 0 226.364 1.077 20 0 BDADRP C[C@H](CCCC[NH3+])NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000653141950 487702200 /nfs/dbraw/zinc/70/22/00/487702200.db2.gz TXLNXKMKSJLZNR-GRYCIOLGSA-N 2 0 241.379 1.138 20 0 BDADRP C[C@@H](CO)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000121030156 490073319 /nfs/dbraw/zinc/07/33/19/490073319.db2.gz RKGFBIOCJDOXAH-CHWSQXEVSA-N 2 0 226.364 1.033 20 0 BDADRP CCCN1CC[C@@H]([NH2+]C[C@@H](C)COC)C1 ZINC000328533606 487707172 /nfs/dbraw/zinc/70/71/72/487707172.db2.gz ZCVQBORUDPGVQN-VXGBXAGGSA-N 2 0 214.353 1.343 20 0 BDADRP CCC[C@@H]1C[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000233306609 487708570 /nfs/dbraw/zinc/70/85/70/487708570.db2.gz PEJGGNSBLZWBIX-JHJVBQTASA-N 2 0 226.364 1.221 20 0 BDADRP COCC[C@@H](C)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000675499770 487742615 /nfs/dbraw/zinc/74/26/15/487742615.db2.gz JFXHAWYULOYCEG-CYBMUJFWSA-N 2 0 249.358 1.629 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CCCO1 ZINC000251276242 487752970 /nfs/dbraw/zinc/75/29/70/487752970.db2.gz MIHCVYPIPSIDOL-XQQFMLRXSA-N 2 0 226.364 1.663 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CC2(CO)CC2)[C@H]2CCC[C@H]21 ZINC000671749742 487765267 /nfs/dbraw/zinc/76/52/67/487765267.db2.gz NCSOZURWYMQWPA-FRRDWIJNSA-N 2 0 238.375 1.221 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000158613590 487770219 /nfs/dbraw/zinc/77/02/19/487770219.db2.gz QQABFKAWRLVJCR-QJPTWQEYSA-N 2 0 214.353 1.374 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]CCCC[NH+]1CCOCC1 ZINC000675750297 487774858 /nfs/dbraw/zinc/77/48/58/487774858.db2.gz BXALISNGYDEPLS-CHWSQXEVSA-N 2 0 244.379 1.112 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](CC[C@H]2CCCCO2)C1 ZINC000300367516 487779170 /nfs/dbraw/zinc/77/91/70/487779170.db2.gz KWTCGFSWGBFBBW-VXGBXAGGSA-N 2 0 212.337 1.226 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)CCO1 ZINC000251676229 487788841 /nfs/dbraw/zinc/78/88/41/487788841.db2.gz OZEKCYFLCXXNNV-HZSPNIEDSA-N 2 0 240.391 1.875 20 0 BDADRP C[NH+](C)CC1CC[NH+]([C@H]2CCCOC2)CC1 ZINC000674300849 487795476 /nfs/dbraw/zinc/79/54/76/487795476.db2.gz HNMUWTDILSVTKW-ZDUSSCGKSA-N 2 0 226.364 1.439 20 0 BDADRP CCOCC[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000251924423 487807982 /nfs/dbraw/zinc/80/79/82/487807982.db2.gz YRYLSENWZNCVFI-GHMZBOCLSA-N 2 0 200.326 1.082 20 0 BDADRP CCC[N@@H+]1CC[C@@H](NC2CC[NH+](CC)CC2)C1 ZINC000383151956 487818360 /nfs/dbraw/zinc/81/83/60/487818360.db2.gz JWFWDMDAIUJLDO-CQSZACIVSA-N 2 0 239.407 1.545 20 0 BDADRP [NH3+]CCC[NH2+]C1(c2cccc(F)c2)CC1 ZINC000414708284 487818497 /nfs/dbraw/zinc/81/84/97/487818497.db2.gz NOUIORAKFUXYSX-UHFFFAOYSA-N 2 0 208.280 1.753 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+]C2(CO)CCCCC2)CC[NH2+]1 ZINC000666654994 487851671 /nfs/dbraw/zinc/85/16/71/487851671.db2.gz YHPQYVBUCSTGCF-OLZOCXBDSA-N 2 0 240.391 1.659 20 0 BDADRP COCCC(C)(C)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000234684093 487853046 /nfs/dbraw/zinc/85/30/46/487853046.db2.gz DQKWXTDPTDQLAK-NWDGAFQWSA-N 2 0 228.380 1.909 20 0 BDADRP [NH3+]CC1CCC([NH2+]C[C@H]2CCCCN2)CC1 ZINC000666770902 487855001 /nfs/dbraw/zinc/85/50/01/487855001.db2.gz ZCCPGKNPHFHSCE-WXRRBKDZSA-N 2 0 225.380 1.236 20 0 BDADRP CCOCC[N@H+](C)CC1CC[NH+](C)CC1 ZINC000151033680 640276142 /nfs/dbraw/zinc/27/61/42/640276142.db2.gz GLOZHVKQLTYNHZ-UHFFFAOYSA-N 2 0 214.353 1.297 20 0 BDADRP Cn1cnc(CC[NH2+]CC2(C)CCC2)c1 ZINC000313249249 487862533 /nfs/dbraw/zinc/86/25/33/487862533.db2.gz DPSPRMWOTPEJET-UHFFFAOYSA-N 2 0 207.321 1.742 20 0 BDADRP C[NH2+]CCC[NH2+]Cc1ccc2cnccc2c1 ZINC000666808048 487866058 /nfs/dbraw/zinc/86/60/58/487866058.db2.gz BJLVBCCLDDTNGS-UHFFFAOYSA-N 2 0 229.327 1.934 20 0 BDADRP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)CC)C1CC1 ZINC000323803437 487873886 /nfs/dbraw/zinc/87/38/86/487873886.db2.gz HCWJLQHBQSMWHG-VXGBXAGGSA-N 2 0 214.353 1.077 20 0 BDADRP C[C@H](CC[NH3+])[NH2+]Cc1cnc2ccccn12 ZINC000666831917 487882453 /nfs/dbraw/zinc/88/24/53/487882453.db2.gz IHVVDMOSLFDTSA-SNVBAGLBSA-N 2 0 218.304 1.161 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@@H]1CCC[NH2+]CC1 ZINC000666859015 487893352 /nfs/dbraw/zinc/89/33/52/487893352.db2.gz VOPOUUFLXWVVKX-NWDGAFQWSA-N 2 0 213.369 1.092 20 0 BDADRP C[C@H](O)[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925671701 646400197 /nfs/dbraw/zinc/40/01/97/646400197.db2.gz DTKHJFGMAARYMN-NAKRPEOUSA-N 2 0 214.353 1.251 20 0 BDADRP CC[N@@H+]1CC[C@H](NC[C@@H]2C[C@H](F)C[NH2+]2)[C@H](C)C1 ZINC000666947807 487912445 /nfs/dbraw/zinc/91/24/45/487912445.db2.gz IRJSNLRGAOPMBI-VOAKCMCISA-N 2 0 243.370 1.006 20 0 BDADRP c1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000666950853 487913363 /nfs/dbraw/zinc/91/33/63/487913363.db2.gz NASQQLWVNHKZSE-CYBMUJFWSA-N 2 0 216.328 1.918 20 0 BDADRP c1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000666950854 487913461 /nfs/dbraw/zinc/91/34/61/487913461.db2.gz NASQQLWVNHKZSE-ZDUSSCGKSA-N 2 0 216.328 1.918 20 0 BDADRP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666954542 487916169 /nfs/dbraw/zinc/91/61/69/487916169.db2.gz XSNBUBKGBWCBPA-GRYCIOLGSA-N 2 0 208.349 1.907 20 0 BDADRP COC[C@H](C)C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666993784 487923762 /nfs/dbraw/zinc/92/37/62/487923762.db2.gz JVSFHRIJMRTNBY-NEPJUHHUSA-N 2 0 226.364 1.533 20 0 BDADRP CN(CC[NH+]1CCCCC1)C[C@@H]1CC[NH2+]C1 ZINC000652363488 487932667 /nfs/dbraw/zinc/93/26/67/487932667.db2.gz FYVPIPQBSDWDEI-CYBMUJFWSA-N 2 0 225.380 1.014 20 0 BDADRP C[C@@H](C[NH3+])C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000054339699 322934412 /nfs/dbraw/zinc/93/44/12/322934412.db2.gz QTOTVPGUPXKCPU-JTQLQIEISA-N 2 0 235.331 1.282 20 0 BDADRP CC[NH2+]CCC[NH2+][C@H](C)Cc1ccoc1 ZINC000564722719 323007515 /nfs/dbraw/zinc/00/75/15/323007515.db2.gz QYYPTZVSPUVJPI-LLVKDONJSA-N 2 0 210.321 1.800 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CCCF)[C@@H](C)C1 ZINC000247027403 323011983 /nfs/dbraw/zinc/01/19/83/323011983.db2.gz QNZUJADVSUATHW-QWRGUYRKSA-N 2 0 202.317 1.666 20 0 BDADRP CC(C)[C@H]1CCC[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000562603555 323025410 /nfs/dbraw/zinc/02/54/10/323025410.db2.gz PZSCEOBCHHVPFS-KGLIPLIRSA-N 2 0 242.407 1.979 20 0 BDADRP C[C@@H]1C[C@@H](NCc2ccccc2CO)CC[N@@H+]1C ZINC000151774812 323026852 /nfs/dbraw/zinc/02/68/52/323026852.db2.gz QUPNLMQCCJDXSY-DOMZBBRYSA-N 2 0 248.370 1.751 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1CO ZINC000151790453 323028004 /nfs/dbraw/zinc/02/80/04/323028004.db2.gz HXUSPCWQAHRVJE-WFASDCNBSA-N 2 0 248.370 1.609 20 0 BDADRP C[C@H](CCCC[NH3+])NC(=O)[C@H]1CCCCC[NH2+]1 ZINC000562809781 323031173 /nfs/dbraw/zinc/03/11/73/323031173.db2.gz KEIITDWKEHSWQE-VXGBXAGGSA-N 2 0 241.379 1.152 20 0 BDADRP CC[N@@H+]1CCC[C@@H](C[NH2+]CC[C@@H]2CCOC2)C1 ZINC000569658367 323035751 /nfs/dbraw/zinc/03/57/51/323035751.db2.gz CEKJLMPJZFVHQD-KGLIPLIRSA-N 2 0 240.391 1.735 20 0 BDADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000562962862 323036648 /nfs/dbraw/zinc/03/66/48/323036648.db2.gz UUZMCCOCFUTKAS-GVXVVHGQSA-N 2 0 248.374 1.657 20 0 BDADRP Cc1nccc(N2CC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000525706577 323038633 /nfs/dbraw/zinc/03/86/33/323038633.db2.gz GQBQVXAZYUUBPS-GFCCVEGCSA-N 2 0 232.331 1.460 20 0 BDADRP OC1(C[NH2+]C2CC([NH+]3CCCCC3)C2)CCC1 ZINC000569837490 323042088 /nfs/dbraw/zinc/04/20/88/323042088.db2.gz RQGZHTJRNYCEHO-UHFFFAOYSA-N 2 0 238.375 1.508 20 0 BDADRP CC(C)[NH2+]C1(CO)CC[NH+](CCC2CC2)CC1 ZINC000569862596 323042895 /nfs/dbraw/zinc/04/28/95/323042895.db2.gz ITJXMXMINCGXGU-UHFFFAOYSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000570273719 323054623 /nfs/dbraw/zinc/05/46/23/323054623.db2.gz MPKGLSGDONDBGQ-NRUUGDAUSA-N 2 0 247.342 1.268 20 0 BDADRP CC(C)C[C@@H]([NH3+])c1noc(Cn2ccnc2)n1 ZINC000570569195 323063460 /nfs/dbraw/zinc/06/34/60/323063460.db2.gz HEHPZVNTYVNBMV-SECBINFHSA-N 2 0 235.291 1.360 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC2(CCO)CCCC2)C1 ZINC000570649962 323066135 /nfs/dbraw/zinc/06/61/35/323066135.db2.gz NPRIAOCWJDODMP-OLZOCXBDSA-N 2 0 240.391 1.789 20 0 BDADRP Cc1cc(C[C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)[nH]n1 ZINC000570739983 323069143 /nfs/dbraw/zinc/06/91/43/323069143.db2.gz XIIGTSLJJOXZOQ-ZMLRMANQSA-N 2 0 236.363 1.509 20 0 BDADRP CCc1noc([C@@H](C)N2CCC[C@@H](C[NH3+])C2)n1 ZINC000570843601 323072239 /nfs/dbraw/zinc/07/22/39/323072239.db2.gz LFKGCKBPBVMYEV-ZJUUUORDSA-N 2 0 238.335 1.364 20 0 BDADRP C[C@](O)(C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)C(F)(F)F ZINC000570942297 323076189 /nfs/dbraw/zinc/07/61/89/323076189.db2.gz PQIIRSKLPHGSGP-VGMNWLOBSA-N 2 0 240.269 1.159 20 0 BDADRP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)[C@@H]1CC1(C)C ZINC000397817746 323097148 /nfs/dbraw/zinc/09/71/48/323097148.db2.gz JYDHLGKGDQXFKN-AVGNSLFASA-N 2 0 240.391 1.467 20 0 BDADRP Cc1ccc(CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000563427344 323126178 /nfs/dbraw/zinc/12/61/78/323126178.db2.gz YZGBQJOUZSUZGR-KGLIPLIRSA-N 2 0 233.359 1.792 20 0 BDADRP Cc1ncc(C[NH2+]C[C@@H](C)CCCO)n1C ZINC000563441544 323126770 /nfs/dbraw/zinc/12/67/70/323126770.db2.gz SCZOHLHENXUJKR-JTQLQIEISA-N 2 0 225.336 1.227 20 0 BDADRP CC(C)[NH2+]CC(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000571107235 323135764 /nfs/dbraw/zinc/13/57/64/323135764.db2.gz ZNPPIJSMZCGXFA-JTQLQIEISA-N 2 0 235.331 1.643 20 0 BDADRP C[NH2+]C[C@@H](C)CNC1CC[NH+](CC2CC2)CC1 ZINC000571532169 323147154 /nfs/dbraw/zinc/14/71/54/323147154.db2.gz WDUILWMNUVJIQN-GFCCVEGCSA-N 2 0 239.407 1.306 20 0 BDADRP CC(C)[C@@H]([NH3+])CCN(C)CC1(C[NH3+])CC1 ZINC000414654565 323150975 /nfs/dbraw/zinc/15/09/75/323150975.db2.gz CFHGDQGXGXGWIR-NSHDSACASA-N 2 0 213.369 1.031 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])CN1CC[NH2+]C(C)(C)C ZINC000414654286 323150984 /nfs/dbraw/zinc/15/09/84/323150984.db2.gz BUXVTNNUJMLNBL-MNOVXSKESA-N 2 0 213.369 1.044 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CC[NH2+]1 ZINC000414668582 323151168 /nfs/dbraw/zinc/15/11/68/323151168.db2.gz JILMNXHNECIXPP-RGDJUOJXSA-N 3 0 237.391 1.044 20 0 BDADRP CC(C)[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)C1CC1 ZINC000531978921 323162134 /nfs/dbraw/zinc/16/21/34/323162134.db2.gz HHPRHMZEZDIKDC-ZDUSSCGKSA-N 2 0 240.391 1.467 20 0 BDADRP CC(C)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000546716624 323169767 /nfs/dbraw/zinc/16/97/67/323169767.db2.gz APHWGYAQZDDRRN-UHFFFAOYSA-N 2 0 234.347 1.654 20 0 BDADRP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cn[nH]c1 ZINC000571669739 323177400 /nfs/dbraw/zinc/17/74/00/323177400.db2.gz QGNQDPWEKRSAGM-JIMOISOXSA-N 2 0 234.347 1.448 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000328277922 323186664 /nfs/dbraw/zinc/18/66/64/323186664.db2.gz RFFNKVPHQKLESH-ZOBORPQBSA-N 2 0 240.391 1.467 20 0 BDADRP CCOC[C@H](C)[NH2+]CCN1CC[C@@H](C)C1 ZINC000309034814 323197304 /nfs/dbraw/zinc/19/73/04/323197304.db2.gz HNKWPTPBPKNUEW-NEPJUHHUSA-N 2 0 214.353 1.343 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CCCOC1)[C@H]1CCCC[NH2+]1 ZINC000530211536 323211645 /nfs/dbraw/zinc/21/16/45/323211645.db2.gz METULNBIFRYAIH-MELADBBJSA-N 2 0 240.391 1.923 20 0 BDADRP C[NH2+]CCC[NH+]1CCC(CCOC)CC1 ZINC000530225238 323218977 /nfs/dbraw/zinc/21/89/77/323218977.db2.gz URYOZPQTSHSSNW-UHFFFAOYSA-N 2 0 214.353 1.344 20 0 BDADRP C[C@]1(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])CCOC1 ZINC000397223499 324113168 /nfs/dbraw/zinc/11/31/68/324113168.db2.gz LUGROXMSQLXNFD-GRYCIOLGSA-N 2 0 212.337 1.130 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+]C[C@@]2(C)CC[NH2+]C2)O1 ZINC000398093002 324216797 /nfs/dbraw/zinc/21/67/97/324216797.db2.gz STEAIXBAGZVLQO-UTUOFQBUSA-N 2 0 212.337 1.143 20 0 BDADRP COCCC1CC[NH+]([C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000530212335 324525918 /nfs/dbraw/zinc/52/59/18/324525918.db2.gz QIRWIUCNFLERAK-RYUDHWBXSA-N 2 0 228.380 1.861 20 0 BDADRP CC[C@H](C)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530239769 324552451 /nfs/dbraw/zinc/55/24/51/324552451.db2.gz HRUFVCPXGLKIGW-GXTWGEPZSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H](C[NH2+]CC1CC[NH2+]CC1)c1ccncc1 ZINC000530245706 324556263 /nfs/dbraw/zinc/55/62/63/324556263.db2.gz ZWKYYGWEDYWCCG-GFCCVEGCSA-N 2 0 233.359 1.774 20 0 BDADRP CC[C@H]([NH2+]C[C@@H](C)N(C)C1CC1)[C@@H]1CCOC1 ZINC000131072441 325112450 /nfs/dbraw/zinc/11/24/50/325112450.db2.gz GVYOTPSPQWIYFO-BZPMIXESSA-N 2 0 240.391 1.874 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)CC2(C[NH3+])CC2)cc1 ZINC000564320904 325356259 /nfs/dbraw/zinc/35/62/59/325356259.db2.gz GXJFRIDBCPFNSO-UHFFFAOYSA-N 2 0 233.315 1.213 20 0 BDADRP CCC[NH+]1CCC([NH2+]CC2CC(O)C2)CC1 ZINC000084445918 325583472 /nfs/dbraw/zinc/58/34/72/325583472.db2.gz FNRSSDWOSRNJLO-UHFFFAOYSA-N 2 0 226.364 1.221 20 0 BDADRP CCOCCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000086402144 325614429 /nfs/dbraw/zinc/61/44/29/325614429.db2.gz AQJRTGQIYDJXMZ-GHMZBOCLSA-N 2 0 200.326 1.273 20 0 BDADRP CC[C@@H](CO)[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000253629477 325729380 /nfs/dbraw/zinc/72/93/80/325729380.db2.gz PUXUXUZWSPHCIN-REWJHTLYSA-N 2 0 240.391 1.658 20 0 BDADRP CC(C)[NH2+]CCC[NH2+][C@H]1CCCOCC1 ZINC000564822865 325812352 /nfs/dbraw/zinc/81/23/52/325812352.db2.gz OJPVSWYSLVWPFB-LBPRGKRZSA-N 2 0 214.353 1.533 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CC1CC(C)(C)C1 ZINC000564826613 325813800 /nfs/dbraw/zinc/81/38/00/325813800.db2.gz YKYXBDOTRLTMLJ-LBPRGKRZSA-N 2 0 228.380 1.766 20 0 BDADRP C[C@H]([NH3+])c1ccc(C(=O)NC[C@H]([NH3+])C2CC2)cc1 ZINC000565421314 325909158 /nfs/dbraw/zinc/90/91/58/325909158.db2.gz VUGZPNGLRIAQMD-ZANVPECISA-N 2 0 247.342 1.173 20 0 BDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000566245029 326022665 /nfs/dbraw/zinc/02/26/65/326022665.db2.gz XIXDRVJDWJVSFN-RISCZKNCSA-N 2 0 233.359 1.185 20 0 BDADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@H](C(C)C)CC1 ZINC000566352130 326036331 /nfs/dbraw/zinc/03/63/31/326036331.db2.gz XGEMUSPXBHNWGT-KBPBESRZSA-N 2 0 242.407 1.715 20 0 BDADRP CC1CC[NH+](CCN2CCC[N@H+](C)CC2)CC1 ZINC000567350817 326171644 /nfs/dbraw/zinc/17/16/44/326171644.db2.gz OTGQLKCHZSXNGM-UHFFFAOYSA-N 2 0 239.407 1.356 20 0 BDADRP CC[NH2+]CCCNC1CC[NH+](CC)CC1 ZINC000567375318 326178087 /nfs/dbraw/zinc/17/80/87/326178087.db2.gz QXXTXJPPKBUZRE-UHFFFAOYSA-N 2 0 213.369 1.060 20 0 BDADRP CC[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)C(C)C ZINC000155052902 326182463 /nfs/dbraw/zinc/18/24/63/326182463.db2.gz FESSEWLVSUKNGM-KGLIPLIRSA-N 2 0 241.423 1.647 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cnc(N)s1 ZINC000567870824 326273639 /nfs/dbraw/zinc/27/36/39/326273639.db2.gz PIXCQHSRZJQVAL-MRVPVSSYSA-N 2 0 228.365 1.163 20 0 BDADRP CCC[C@@H](C)[C@@H]1CCC[N@@H+]1CCOCC[NH3+] ZINC000568051607 326300586 /nfs/dbraw/zinc/30/05/86/326300586.db2.gz UEIUOIBCSCTIFQ-OLZOCXBDSA-N 2 0 228.380 1.862 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]CC2(F)CC2)C1 ZINC000568053502 326301197 /nfs/dbraw/zinc/30/11/97/326301197.db2.gz JRAZJZMFSMCUEW-VHSXEESVSA-N 2 0 200.301 1.596 20 0 BDADRP C[C@@H]1CCCC[N@@H+]1CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000568248510 326334286 /nfs/dbraw/zinc/33/42/86/326334286.db2.gz SXMHPSRBMRXWRT-MGPQQGTHSA-N 2 0 239.407 1.720 20 0 BDADRP CC[C@H]1CCC[C@@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000568617224 326367752 /nfs/dbraw/zinc/36/77/52/326367752.db2.gz XCHPPNIZHOWXNA-KBPBESRZSA-N 2 0 239.407 1.450 20 0 BDADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)[C@H](C)O ZINC000569230351 326396147 /nfs/dbraw/zinc/39/61/47/326396147.db2.gz VRVQGKOUWNKIIV-MCIONIFRSA-N 2 0 242.407 2.000 20 0 BDADRP [NH3+][C@@H](C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000446398477 487980358 /nfs/dbraw/zinc/98/03/58/487980358.db2.gz YKBHLYPKZROHOY-FRRDWIJNSA-N 2 0 247.342 1.073 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000235581460 487987086 /nfs/dbraw/zinc/98/70/86/487987086.db2.gz JXEBAUYMGZKLKM-NNYUYHANSA-N 2 0 212.337 1.223 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cncs2)C1 ZINC000655827649 488011085 /nfs/dbraw/zinc/01/10/85/488011085.db2.gz WIHKUQASHGPWRA-AOOOYVTPSA-N 2 0 225.361 1.573 20 0 BDADRP C(CN1CCCC1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400962527 488011970 /nfs/dbraw/zinc/01/19/70/488011970.db2.gz GKKSASOTRDVWJL-HZSPNIEDSA-N 2 0 237.391 1.060 20 0 BDADRP CC[C@@H]1C[N@H+](CCCOC)CC[C@@H]1[NH3+] ZINC000147417243 488015326 /nfs/dbraw/zinc/01/53/26/488015326.db2.gz AAOVAPLQARYOGN-MNOVXSKESA-N 2 0 200.326 1.082 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+]C1CCSCC1 ZINC000049553882 488018294 /nfs/dbraw/zinc/01/82/94/488018294.db2.gz XXGCBYOMBYUBCO-JTQLQIEISA-N 2 0 216.394 1.812 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C(C)C ZINC000401061363 488024737 /nfs/dbraw/zinc/02/47/37/488024737.db2.gz GJMUTNAZVLBELD-IGQOVBAYSA-N 2 0 240.391 1.635 20 0 BDADRP CC(C)OCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401066052 488025228 /nfs/dbraw/zinc/02/52/28/488025228.db2.gz LLZWBVUNSZHAHS-RWMBFGLXSA-N 2 0 226.364 1.389 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[C@@H](O)C2)C1 ZINC000227551908 488028691 /nfs/dbraw/zinc/02/86/91/488028691.db2.gz LMWXXQQTELARQU-WISYIIOYSA-N 2 0 212.337 1.007 20 0 BDADRP Cc1csc(CC[NH2+][C@H]2CCC[C@H]2C[NH3+])n1 ZINC000084221778 488038743 /nfs/dbraw/zinc/03/87/43/488038743.db2.gz OIGBYRWSIAUOEA-QWRGUYRKSA-N 2 0 239.388 1.711 20 0 BDADRP C[C@H]1CCCC[C@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663497477 488046419 /nfs/dbraw/zinc/04/64/19/488046419.db2.gz GBVZVIVQBNZPEL-GMKTYKIGSA-N 2 0 208.349 1.907 20 0 BDADRP COCCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000084480756 488053576 /nfs/dbraw/zinc/05/35/76/488053576.db2.gz HPENQJORPIRZDY-LLVKDONJSA-N 2 0 214.353 1.485 20 0 BDADRP C[C@]1(CN2CCO[C@@](C)(C(F)F)C2)CC[NH2+]C1 ZINC000663515093 488058647 /nfs/dbraw/zinc/05/86/47/488058647.db2.gz ZYKYELNTCTVXMR-NWDGAFQWSA-N 2 0 248.317 1.342 20 0 BDADRP C[C@@H]1CCC[N@@H+]1Cc1cnc2n1CCC2 ZINC000667618917 488060540 /nfs/dbraw/zinc/06/05/40/488060540.db2.gz NFPJEFRJJQOFOC-SNVBAGLBSA-N 2 0 205.305 1.814 20 0 BDADRP C([C@@H]1CCOC1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257651316 488074840 /nfs/dbraw/zinc/07/48/40/488074840.db2.gz DIZMWEKKWPSAKQ-STQMWFEESA-N 2 0 224.348 1.098 20 0 BDADRP CC(C)[NH2+][C@@H]1CCCN(CC[C@@H](C)O)C1 ZINC000257768453 488087108 /nfs/dbraw/zinc/08/71/08/488087108.db2.gz FUKDVJPRHWJBFP-VXGBXAGGSA-N 2 0 214.353 1.220 20 0 BDADRP CCc1cccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000682517933 488090498 /nfs/dbraw/zinc/09/04/98/488090498.db2.gz LMZQLSWZWUKOMT-GJZGRUSLSA-N 2 0 230.355 1.900 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC2(CCC2)C1 ZINC000310222028 488107608 /nfs/dbraw/zinc/10/76/08/488107608.db2.gz GDIOVPLDUPKHDC-ZDUSSCGKSA-N 2 0 240.391 1.564 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](CCO)C1 ZINC000683141240 488117732 /nfs/dbraw/zinc/11/77/32/488117732.db2.gz RZZKFDHUORWCPU-AWEZNQCLSA-N 2 0 242.407 1.813 20 0 BDADRP C[C@@H](CCCCO)[NH2+]CCC1(C[NH3+])CC1 ZINC000650745890 488119816 /nfs/dbraw/zinc/11/98/16/488119816.db2.gz QEJYUXDXOBOTGO-NSHDSACASA-N 2 0 214.353 1.256 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CO[C@H](C3CC3)C2)C1 ZINC000667792815 488122387 /nfs/dbraw/zinc/12/23/87/488122387.db2.gz JYHIIETUSBQHAU-XBFCOCLRSA-N 2 0 238.375 1.485 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000428291038 487538649 /nfs/dbraw/zinc/53/86/49/487538649.db2.gz PJHCKDIJPFWKEB-OLZOCXBDSA-N 2 0 247.342 1.472 20 0 BDADRP [NH3+]C1CCC([NH2+][C@@H]2CCCC[C@H]2O)CC1 ZINC000086729748 487540346 /nfs/dbraw/zinc/54/03/46/487540346.db2.gz JOBUUVFUXODWLR-KIDURHIOSA-N 2 0 212.337 1.149 20 0 BDADRP C[C@H](CCO)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000121324004 490081997 /nfs/dbraw/zinc/08/19/97/490081997.db2.gz OUOIBHRIQFIPHZ-GHMZBOCLSA-N 2 0 214.353 1.077 20 0 BDADRP CCN(CC[NH3+])Cc1cc(F)ccc1C ZINC000231819514 487477526 /nfs/dbraw/zinc/47/75/26/487477526.db2.gz VKRARNSBPSMOFV-UHFFFAOYSA-N 2 0 210.296 1.915 20 0 BDADRP CC[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000381079295 487494390 /nfs/dbraw/zinc/49/43/90/487494390.db2.gz QYDZFXGRVQLZRZ-OLZOCXBDSA-N 2 0 228.380 1.562 20 0 BDADRP CC(C)(CC[NH+]1CCC(O)(C[NH3+])CC1)C1CC1 ZINC000406010723 487496711 /nfs/dbraw/zinc/49/67/11/487496711.db2.gz VJEFXXWPQUXXRP-UHFFFAOYSA-N 2 0 240.391 1.598 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]C2CCC(CO)CC2)C1 ZINC000304569954 487511558 /nfs/dbraw/zinc/51/15/58/487511558.db2.gz HUNOTZJMADKSIZ-MVKMKZAISA-N 2 0 226.364 1.397 20 0 BDADRP C[NH2+]C[C@H]1CCCN(Cc2snnc2C)C1 ZINC000381458451 487508443 /nfs/dbraw/zinc/50/84/43/487508443.db2.gz JAYXOHVNEXUYER-SNVBAGLBSA-N 2 0 240.376 1.278 20 0 BDADRP Cc1nocc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000662267799 487509811 /nfs/dbraw/zinc/50/98/11/487509811.db2.gz YTQJAHXYBKQJPR-UHTWSYAYSA-N 2 0 235.331 1.542 20 0 BDADRP C([C@@H]1C[C@H]2C[C@H]2C1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000662274178 487523235 /nfs/dbraw/zinc/52/32/35/487523235.db2.gz RQYZEJXCFPYXGW-RGDJUOJXSA-N 2 0 220.360 1.716 20 0 BDADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCO[C@H]1CC1(F)F ZINC000662274657 487523663 /nfs/dbraw/zinc/52/36/63/487523663.db2.gz ZGCYBKBQOMCOSJ-QWRGUYRKSA-N 2 0 248.317 1.614 20 0 BDADRP CC(C)C[N@H+](CCC[NH3+])Cc1cnn(C)c1 ZINC000050539240 487534750 /nfs/dbraw/zinc/53/47/50/487534750.db2.gz BQVXMPCUWQYGON-UHFFFAOYSA-N 2 0 224.352 1.227 20 0 BDADRP Cc1nnc([C@@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)[nH]1 ZINC000662273808 490044677 /nfs/dbraw/zinc/04/46/77/490044677.db2.gz PNSILRPHFWCOAW-JLLWLGSASA-N 2 0 249.362 1.106 20 0 BDADRP Cc1nc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000666950679 487890496 /nfs/dbraw/zinc/89/04/96/487890496.db2.gz AKMJNJJQEFOHGK-LLVKDONJSA-N 2 0 237.372 1.683 20 0 BDADRP c1ccc2c(c1)OCC[C@H]2C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000666939746 487908545 /nfs/dbraw/zinc/90/85/45/487908545.db2.gz JYFPIEJVWAREAU-MUYACECFSA-N 2 0 244.338 1.360 20 0 BDADRP Nc1cccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000652352313 487930138 /nfs/dbraw/zinc/93/01/38/487930138.db2.gz BGZQBVIYZCRZIM-ZFWWWQNUSA-N 2 0 245.370 1.830 20 0 BDADRP CNC(=O)[C@H](CC(C)C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000222961430 488138359 /nfs/dbraw/zinc/13/83/59/488138359.db2.gz OMOQIKADIJFHSZ-WOPDTQHZSA-N 2 0 241.379 1.007 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)[C@H]([NH3+])CC(C)C)cc1 ZINC000669520231 488138898 /nfs/dbraw/zinc/13/88/98/488138898.db2.gz GKJBVYSMNLQFDZ-CYBMUJFWSA-N 2 0 249.358 1.718 20 0 BDADRP CO[C@@H](C)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000167125914 488140793 /nfs/dbraw/zinc/14/07/93/488140793.db2.gz SIUSUDKEISOSDJ-SDDRHHMPSA-N 2 0 212.337 1.238 20 0 BDADRP C[C@H]1C[N@H+](Cc2cnc3n2CCC3)CC[C@@H]1O ZINC000668011438 488184518 /nfs/dbraw/zinc/18/45/18/488184518.db2.gz BBJDMYOPGSENOX-JQWIXIFHSA-N 2 0 235.331 1.032 20 0 BDADRP CO[C@@H](C)C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000223896251 488188766 /nfs/dbraw/zinc/18/87/66/488188766.db2.gz VBSACFWNWZXJHX-ZWKOPEQDSA-N 2 0 220.316 1.756 20 0 BDADRP CC[C@@H](C)C[C@H](CO)[NH2+]C1CCN(CC)CC1 ZINC000647336113 488192466 /nfs/dbraw/zinc/19/24/66/488192466.db2.gz MPDGYYHVIGYHAJ-TZMCWYRMSA-N 2 0 242.407 1.857 20 0 BDADRP CC[N@@H+]1CC[C@H](N(C)Cc2cn[nH]c2)C[C@@H]1C ZINC000678277138 488235616 /nfs/dbraw/zinc/23/56/16/488235616.db2.gz RLTIHDYIUBTOIH-AAEUAGOBSA-N 2 0 236.363 1.714 20 0 BDADRP c1n[nH]cc1CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000678280162 488236376 /nfs/dbraw/zinc/23/63/76/488236376.db2.gz GEVNDUXXJQBYQH-CYBMUJFWSA-N 2 0 248.374 1.718 20 0 BDADRP c1cc(N2CC[NH+](CC3CC3)CC2)cc[nH+]1 ZINC000673709411 488304924 /nfs/dbraw/zinc/30/49/24/488304924.db2.gz PVPRLDTWANMABD-UHFFFAOYSA-N 2 0 217.316 1.614 20 0 BDADRP CC(C)[N@H+](C)CC(=O)N(C)CCCC[NH+](C)C ZINC000673839204 488309217 /nfs/dbraw/zinc/30/92/17/488309217.db2.gz CPPIKKONRWRBQN-UHFFFAOYSA-N 2 0 243.395 1.127 20 0 BDADRP CCC[N@H+](C)CC(=O)N(C)CCCC[NH+](C)C ZINC000673840297 488309428 /nfs/dbraw/zinc/30/94/28/488309428.db2.gz IKKCNRBPMZNTMX-UHFFFAOYSA-N 2 0 243.395 1.128 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@H](C)C[C@@H](C)[NH3+] ZINC000665283033 490096206 /nfs/dbraw/zinc/09/62/06/490096206.db2.gz GLDNGFHPKLHVFB-GMTAPVOTSA-N 2 0 201.358 1.075 20 0 BDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)CC(C)(C)[NH3+] ZINC000084165180 490377653 /nfs/dbraw/zinc/37/76/53/490377653.db2.gz AIZZFGNYODFCLM-NSHDSACASA-N 2 0 243.395 1.206 20 0 BDADRP C[C@@H]1CCNC[C@@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000335516681 490394691 /nfs/dbraw/zinc/39/46/91/490394691.db2.gz RZHINHCZPVQNDU-RYSNWHEDSA-N 2 0 239.407 1.447 20 0 BDADRP CC(C)[C@@H](CO)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000086121628 491057992 /nfs/dbraw/zinc/05/79/92/491057992.db2.gz ASGUNOKCCWBMRD-WCQYABFASA-N 2 0 228.380 1.323 20 0 BDADRP C[C@@H]([NH2+]CC1(O)CCCC1)C1CC[NH+](C)CC1 ZINC000087016216 491065355 /nfs/dbraw/zinc/06/53/55/491065355.db2.gz JXSBCARIZZIQSD-GFCCVEGCSA-N 2 0 240.391 1.611 20 0 BDADRP Cc1ccc(O)c(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)n1 ZINC000414852574 491111165 /nfs/dbraw/zinc/11/11/65/491111165.db2.gz KBPTWTWKIAMYON-VXGBXAGGSA-N 2 0 249.358 1.573 20 0 BDADRP C[C@@H](CN(C)C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000130171659 491119304 /nfs/dbraw/zinc/11/93/04/491119304.db2.gz GBLZVOUAIYQKLF-RYUDHWBXSA-N 2 0 227.396 1.256 20 0 BDADRP Cc1csc(C[NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)n1 ZINC000235705853 491125829 /nfs/dbraw/zinc/12/58/29/491125829.db2.gz HIWQTFBVBBFWAG-ONGXEEELSA-N 2 0 239.388 1.929 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(O)cc2)CC[N@@H+]1C ZINC000130261613 491127028 /nfs/dbraw/zinc/12/70/28/491127028.db2.gz DEHGQQMMXMBRIL-AAEUAGOBSA-N 2 0 234.343 1.965 20 0 BDADRP COCC[C@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000081706944 491136231 /nfs/dbraw/zinc/13/62/31/491136231.db2.gz DVQNKOVGBURHRM-RYUDHWBXSA-N 2 0 228.380 1.731 20 0 BDADRP C([NH2+]C1CSC1)C1CC[NH+](C2CC2)CC1 ZINC000309010194 491142329 /nfs/dbraw/zinc/14/23/29/491142329.db2.gz ROBJNRHNISWERD-UHFFFAOYSA-N 2 0 226.389 1.566 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@H](C)CCCCO ZINC000309381690 491147686 /nfs/dbraw/zinc/14/76/86/491147686.db2.gz SAUGKNWZFLLQSD-CYBMUJFWSA-N 2 0 230.396 1.857 20 0 BDADRP C[C@@H](NCC1([NH+](C)C)CCC1)c1ncc[nH]1 ZINC000309535239 491150317 /nfs/dbraw/zinc/15/03/17/491150317.db2.gz DWZAUOHWBHUVCU-SNVBAGLBSA-N 2 0 222.336 1.545 20 0 BDADRP COC(=O)[C@H]1CCC[C@@H]([NH2+]CCCC[NH3+])CC1 ZINC001172775099 974940206 /nfs/dbraw/zinc/94/02/06/974940206.db2.gz ZIVKPNZHTMBDQT-NWDGAFQWSA-N 2 0 242.363 1.437 20 0 BDADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)[C@H]1CCC[NH2+]1 ZINC000400744808 533841726 /nfs/dbraw/zinc/84/17/26/533841726.db2.gz UHDOIBFJXULVMU-GXTWGEPZSA-N 3 0 239.407 1.448 20 0 BDADRP C[C@H](CCCC[NH3+])NC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000494669516 533843255 /nfs/dbraw/zinc/84/32/55/533843255.db2.gz BXVWVFWJSKLNPY-YPMHNXCESA-N 2 0 241.379 1.010 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCC[C@H]1O ZINC000309020810 533846901 /nfs/dbraw/zinc/84/69/01/533846901.db2.gz UOAVSFNPZLISRJ-GRYCIOLGSA-N 2 0 214.353 1.255 20 0 BDADRP C[C@H]([NH2+]CCCn1ccnc1)[C@@H]1CCC[NH2+]1 ZINC000400643753 533854718 /nfs/dbraw/zinc/85/47/18/533854718.db2.gz OOQRYQCBSHNKFK-RYUDHWBXSA-N 2 0 222.336 1.003 20 0 BDADRP C[C@H]([NH2+]C[C@@]1(C)CCOC1)[C@H]1CCC[NH2+]1 ZINC000400323013 533891937 /nfs/dbraw/zinc/89/19/37/533891937.db2.gz ALJWLHPLVNZKSY-QJPTWQEYSA-N 2 0 212.337 1.143 20 0 BDADRP CC[C@@H](COC)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000227496720 535760872 /nfs/dbraw/zinc/76/08/72/535760872.db2.gz YQFIXPGVFGRISQ-LBPRGKRZSA-N 2 0 228.380 1.733 20 0 BDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)CCC[NH3+] ZINC000178829680 518188797 /nfs/dbraw/zinc/18/87/97/518188797.db2.gz YUUPEGYFELLVAO-UHFFFAOYSA-N 2 0 249.358 1.734 20 0 BDADRP CC(C)CNC(=[NH2+])NCC[C@H]1CCC[N@H+](C)C1 ZINC000849041644 582839072 /nfs/dbraw/zinc/83/90/72/582839072.db2.gz UMCYBJZIDLXCTB-GFCCVEGCSA-N 2 0 240.395 1.488 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2C[C@@H]2C)C1 ZINC000488355148 527818433 /nfs/dbraw/zinc/81/84/33/527818433.db2.gz RONBSJMKVOGAAF-AVGNSLFASA-N 2 0 210.365 1.916 20 0 BDADRP COC[C@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000261535022 536522697 /nfs/dbraw/zinc/52/26/97/536522697.db2.gz VTJRIAQGNDUQJL-OLZOCXBDSA-N 2 0 226.364 1.344 20 0 BDADRP CC(C)C[C@@H](C[NH3+])NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494573669 528296556 /nfs/dbraw/zinc/29/65/56/528296556.db2.gz HCMSBJRCWSJMID-RYUDHWBXSA-N 2 0 241.379 1.008 20 0 BDADRP CCCCOCCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400342160 528587710 /nfs/dbraw/zinc/58/77/10/528587710.db2.gz HRYCIDXMANLPHP-STQMWFEESA-N 2 0 228.380 1.923 20 0 BDADRP CCC(O)(CC)CC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000471782154 528964572 /nfs/dbraw/zinc/96/45/72/528964572.db2.gz RHZHTGSMXWIDCQ-QWHCGFSZSA-N 2 0 242.407 1.857 20 0 BDADRP CC[C@H]1C[C@@H](C[N@@H+]2CCC[C@@H]([NH3+])C2)CCO1 ZINC000469463101 529317376 /nfs/dbraw/zinc/31/73/76/529317376.db2.gz QSUKYNCTVXFONZ-XQQFMLRXSA-N 2 0 226.364 1.615 20 0 BDADRP CC[C@H]1C[C@H](C[N@@H+]2CCC[C@@H]([NH3+])C2)CCO1 ZINC000469463100 529326926 /nfs/dbraw/zinc/32/69/26/529326926.db2.gz QSUKYNCTVXFONZ-UPJWGTAASA-N 2 0 226.364 1.615 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]C[C@H](O)C2CC2)CC1 ZINC000070879960 535162105 /nfs/dbraw/zinc/16/21/05/535162105.db2.gz AONVDBMDFYFMOX-ZDUSSCGKSA-N 2 0 226.364 1.220 20 0 BDADRP CC(C)CO[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000178977383 535210339 /nfs/dbraw/zinc/21/03/39/535210339.db2.gz IFOKHXCCNUHWAH-AWEZNQCLSA-N 2 0 240.391 1.733 20 0 BDADRP CC(C)[C@H]1CN(C[C@@H]2CCC[NH2+]C2)CC[N@@H+]1C ZINC000261937002 535236805 /nfs/dbraw/zinc/23/68/05/535236805.db2.gz MFDGBZADELVYAV-ZIAGYGMSSA-N 2 0 239.407 1.258 20 0 BDADRP CC(C)[C@H]1CN(C[C@@]2(C)CC[NH2+]C2)CC[N@@H+]1C ZINC000261716670 535237828 /nfs/dbraw/zinc/23/78/28/535237828.db2.gz FFDPNGIOEKEVCC-KGLIPLIRSA-N 2 0 239.407 1.258 20 0 BDADRP CC[C@@H](C)C[NH2+][C@@H](CCC[NH3+])COC ZINC000233830215 535525055 /nfs/dbraw/zinc/52/50/55/535525055.db2.gz NWUKJVBVILAWSS-MNOVXSKESA-N 2 0 202.342 1.376 20 0 BDADRP CC[C@@H](C)[C@@H](C)[NH2+]CCOCC[NH+](C)C ZINC000219313063 535642833 /nfs/dbraw/zinc/64/28/33/535642833.db2.gz CFHIWTXPNYNICR-VXGBXAGGSA-N 2 0 216.369 1.589 20 0 BDADRP CCSCC[NH2+]CC1CC[NH+](C)CC1 ZINC000128920611 535684129 /nfs/dbraw/zinc/68/41/29/535684129.db2.gz XLCDUBPIJIFPIR-UHFFFAOYSA-N 2 0 216.394 1.671 20 0 BDADRP CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000348119180 535823662 /nfs/dbraw/zinc/82/36/62/535823662.db2.gz NEAAMQSENODRPR-MJBXVCDLSA-N 2 0 239.407 1.401 20 0 BDADRP CC[C@@H]1CC[C@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000348107149 535824858 /nfs/dbraw/zinc/82/48/58/535824858.db2.gz VBFZRMPRCFBXGR-ZIAGYGMSSA-N 2 0 239.407 1.402 20 0 BDADRP CC[C@@H]1CO[C@H](C)C[N@@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000261542841 535853826 /nfs/dbraw/zinc/85/38/26/535853826.db2.gz QQAGEOOBHRBZGQ-RFQIPJPRSA-N 2 0 240.391 1.874 20 0 BDADRP CCn1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cn1 ZINC000261989288 536050485 /nfs/dbraw/zinc/05/04/85/536050485.db2.gz KCHDQVGRGHCOIZ-UHFFFAOYSA-N 2 0 248.374 1.479 20 0 BDADRP CC[C@H](COC)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000084216993 536122654 /nfs/dbraw/zinc/12/26/54/536122654.db2.gz XFKHZQORYUWMIY-UTUOFQBUSA-N 2 0 214.353 1.519 20 0 BDADRP CN1CCC([NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000084215962 536344367 /nfs/dbraw/zinc/34/43/67/536344367.db2.gz IAONFDYUWWRLCP-WCQYABFASA-N 2 0 225.380 1.188 20 0 BDADRP CN1CCC([NH2+][C@@H]2CCC[C@H](F)C2)CC1 ZINC000335372751 536344619 /nfs/dbraw/zinc/34/46/19/536344619.db2.gz PAFKTPAUGGAYFL-CMPLNLGQSA-N 2 0 214.328 1.951 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CC1CCC1 ZINC000234713864 536594597 /nfs/dbraw/zinc/59/45/97/536594597.db2.gz FCUUWGPCFAELJB-LLVKDONJSA-N 2 0 200.326 1.130 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000252716170 536878218 /nfs/dbraw/zinc/87/82/18/536878218.db2.gz XTNOGULTLXJWDX-RNJOBUHISA-N 2 0 228.380 1.872 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000252716169 536878722 /nfs/dbraw/zinc/87/87/22/536878722.db2.gz XTNOGULTLXJWDX-QNWHQSFQSA-N 2 0 228.380 1.872 20 0 BDADRP COc1ccccc1CC[NH2+]CC1CC[NH2+]CC1 ZINC000230285947 537038943 /nfs/dbraw/zinc/03/89/43/537038943.db2.gz ANDXMJRVCJXQAO-UHFFFAOYSA-N 2 0 248.370 1.827 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCC2SCCS2)C1 ZINC000853023508 588716739 /nfs/dbraw/zinc/71/67/39/588716739.db2.gz ZLVOGPLFGFRQJP-NXEZZACHSA-N 2 0 246.445 1.852 20 0 BDADRP CC(C)[C@@H]1CC[C@@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000854226601 588780660 /nfs/dbraw/zinc/78/06/60/588780660.db2.gz IQZUQMOZMNUEBW-ZFQMDJOTSA-N 2 0 208.349 1.763 20 0 BDADRP [NH3+]C1(C[NH2+][C@@H]2CCC23CCOCC3)CCCC1 ZINC000854224402 588780681 /nfs/dbraw/zinc/78/06/81/588780681.db2.gz WADZBGPYGGWLKN-GFCCVEGCSA-N 2 0 238.375 1.807 20 0 BDADRP C[C@H]1COCC[C@@H]1[NH2+]CCCCCC[NH3+] ZINC000843343254 582524125 /nfs/dbraw/zinc/52/41/25/582524125.db2.gz YKFILHBXCXSANC-RYUDHWBXSA-N 2 0 214.353 1.520 20 0 BDADRP C[C@H]1COCC[C@H]1[NH2+]CCCCCC[NH3+] ZINC000843343253 582524140 /nfs/dbraw/zinc/52/41/40/582524140.db2.gz YKFILHBXCXSANC-NWDGAFQWSA-N 2 0 214.353 1.520 20 0 BDADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)C[C@@H]1CCCOC1 ZINC000113370873 588838255 /nfs/dbraw/zinc/83/82/55/588838255.db2.gz LXRAYOBCOLJKFC-KGLIPLIRSA-N 2 0 240.391 1.735 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCCOCC2)CC1 ZINC000891721314 582714136 /nfs/dbraw/zinc/71/41/36/582714136.db2.gz WYMUMXMJMFGEBD-UHFFFAOYSA-N 2 0 212.337 1.051 20 0 BDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])NCC ZINC000848998842 582821059 /nfs/dbraw/zinc/82/10/59/582821059.db2.gz BQUOHRUJQMQHNX-GFCCVEGCSA-N 2 0 240.395 1.775 20 0 BDADRP Cc1cc(N)nc(N2CCC([NH2+]C(C)C)CC2)[nH+]1 ZINC000892288558 582828354 /nfs/dbraw/zinc/82/83/54/582828354.db2.gz RGSVDYBAUQCGCG-UHFFFAOYSA-N 2 0 249.362 1.334 20 0 BDADRP COCCC[NH+]1CCC([NH2+][C@H]2CC[C@H]2C)CC1 ZINC000783235745 582952078 /nfs/dbraw/zinc/95/20/78/582952078.db2.gz BRFOEFNNUSUALA-OCCSQVGLSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]([NH2+]C[C@@]1(C)CCOC1)C1CC[NH+](C)CC1 ZINC000397186104 583098493 /nfs/dbraw/zinc/09/84/93/583098493.db2.gz MFVIZKONDOTWCE-GXTWGEPZSA-N 2 0 240.391 1.733 20 0 BDADRP COCCC1([NH2+]CC2CC[NH+](C)CC2)CCC1 ZINC000894169357 583325134 /nfs/dbraw/zinc/32/51/34/583325134.db2.gz IQKUMLHYHMVTAC-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP Cc1ncoc1CNC[C@@H](C)C[NH+]1CCCC1 ZINC000894193510 583333557 /nfs/dbraw/zinc/33/35/57/583333557.db2.gz RFXDHMJNCIGIOJ-LLVKDONJSA-N 2 0 237.347 1.805 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CCCCO3)CC[C@H]21 ZINC000877742085 583345734 /nfs/dbraw/zinc/34/57/34/583345734.db2.gz OKONTYMDENYIAI-MGPQQGTHSA-N 2 0 238.375 1.582 20 0 BDADRP CO[C@H]1C[C@@H]([N@H+](C)CC2CC[NH+](C)CC2)C1 ZINC000894398604 583448747 /nfs/dbraw/zinc/44/87/47/583448747.db2.gz VPHYIGJKGVAPKZ-BETUJISGSA-N 2 0 226.364 1.437 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CC[C@H](n3cccn3)C2)CC1 ZINC000894568717 583484915 /nfs/dbraw/zinc/48/49/15/583484915.db2.gz NMFGQZXOSUANIK-AWEZNQCLSA-N 2 0 248.374 1.472 20 0 BDADRP C[NH+]1CCC(C[N@H+](C2CC2)C2COC2)CC1 ZINC000894658669 583500066 /nfs/dbraw/zinc/50/00/66/583500066.db2.gz JHJQOMCQGDSBMR-UHFFFAOYSA-N 2 0 224.348 1.191 20 0 BDADRP CC(C)[C@@H]1C[C@@H](C[NH2+]Cc2cnc[nH]2)CCO1 ZINC000894899558 583551464 /nfs/dbraw/zinc/55/14/64/583551464.db2.gz WPEICQFRKKHVLZ-AAEUAGOBSA-N 2 0 237.347 1.951 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cnccn1 ZINC000894984871 583564560 /nfs/dbraw/zinc/56/45/60/583564560.db2.gz MPDDKDDRUVQEGF-STQMWFEESA-N 2 0 248.374 1.859 20 0 BDADRP CCc1nc(C)cc(N[C@H]2Cc3cncn3C2)n1 ZINC000894995976 583565690 /nfs/dbraw/zinc/56/56/90/583565690.db2.gz HZZKSSHCJSOTMP-JTQLQIEISA-N 2 0 243.314 1.581 20 0 BDADRP CCc1nc(C)cc(N[C@@H]2Cc3cncn3C2)n1 ZINC000894995977 583565871 /nfs/dbraw/zinc/56/58/71/583565871.db2.gz HZZKSSHCJSOTMP-SNVBAGLBSA-N 2 0 243.314 1.581 20 0 BDADRP COCC1CCC([NH2+]Cc2cnc[nH]2)CC1 ZINC000894995090 583566081 /nfs/dbraw/zinc/56/60/81/583566081.db2.gz XVQZYHNRXNQQFJ-UHFFFAOYSA-N 2 0 223.320 1.705 20 0 BDADRP CC[N@H+](CC1CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC000895154288 583607287 /nfs/dbraw/zinc/60/72/87/583607287.db2.gz WISMQPFKRZDCAU-AWEZNQCLSA-N 2 0 240.391 1.829 20 0 BDADRP Cc1ccnc(N)c1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000895188207 583619442 /nfs/dbraw/zinc/61/94/42/583619442.db2.gz PFKOZFZEARJJRU-TXEJJXNPSA-N 2 0 248.374 1.402 20 0 BDADRP C([NH2+]C1CC[NH+](CC2CC2)CC1)C1CSC1 ZINC000895421659 583673235 /nfs/dbraw/zinc/67/32/35/583673235.db2.gz RTLNDXPUZHKROK-UHFFFAOYSA-N 2 0 240.416 1.813 20 0 BDADRP CN(C)Cc1cnc(CN(C)CCCF)s1 ZINC000895896191 583743537 /nfs/dbraw/zinc/74/35/37/583743537.db2.gz QHOCRLLHFAJFCK-UHFFFAOYSA-N 2 0 245.367 1.996 20 0 BDADRP CC(C)OC1C[NH+](CC2CC[NH+](C)CC2)C1 ZINC000895955161 583752592 /nfs/dbraw/zinc/75/25/92/583752592.db2.gz ARXVXVFHBJPZMU-UHFFFAOYSA-N 2 0 226.364 1.437 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000883441101 583813674 /nfs/dbraw/zinc/81/36/74/583813674.db2.gz HDQVFKYVSDSDCT-MLGHIDQZSA-N 2 0 238.375 1.659 20 0 BDADRP C[N@@H+]1CC[C@H](N[C@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000858127596 588934602 /nfs/dbraw/zinc/93/46/02/588934602.db2.gz JRVKPMQUPFJKBG-RYUDHWBXSA-N 2 0 225.380 1.153 20 0 BDADRP Cc1cc(N2CCN(C)CC[N@@H+](C)CC2)cc[nH+]1 ZINC000897094339 583879442 /nfs/dbraw/zinc/87/94/42/583879442.db2.gz JDGWBQGIXTXVMO-UHFFFAOYSA-N 2 0 248.374 1.074 20 0 BDADRP CC[NH+](CC)CCNc1cc[nH+]c(CO)c1 ZINC000858308796 588943646 /nfs/dbraw/zinc/94/36/46/588943646.db2.gz QLNXHIZHFFJYBP-UHFFFAOYSA-N 2 0 223.320 1.328 20 0 BDADRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])N[C@H]2C[C@H]2C)C1 ZINC000864456269 584006056 /nfs/dbraw/zinc/00/60/56/584006056.db2.gz HKLINPXQDOGCFG-UTUOFQBUSA-N 2 0 238.379 1.241 20 0 BDADRP CC[NH+](CC)C[C@@H](C)Nc1cc[nH+]c(CO)c1 ZINC000858364672 588948641 /nfs/dbraw/zinc/94/86/41/588948641.db2.gz GWOIDXYRGZTATR-LLVKDONJSA-N 2 0 237.347 1.716 20 0 BDADRP CC[C@H](C)[N@H+](C)CCNc1cc[nH+]c(CO)c1 ZINC000858386281 588950312 /nfs/dbraw/zinc/95/03/12/588950312.db2.gz ITTGHKXRSBKUMT-NSHDSACASA-N 2 0 237.347 1.716 20 0 BDADRP [NH3+]CCc1ccc(C[NH2+]CC[C@H]2CCOC2)cc1 ZINC000841033090 584031909 /nfs/dbraw/zinc/03/19/09/584031909.db2.gz KIOFSVLLXTTZER-HNNXBMFYSA-N 2 0 248.370 1.704 20 0 BDADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897819454 584051562 /nfs/dbraw/zinc/05/15/62/584051562.db2.gz SCSIVNUNMSJVIV-PBWLOKPWSA-N 2 0 248.370 1.235 20 0 BDADRP C[NH+]1CCC(C[NH2+]C2CC(CCO)C2)CC1 ZINC000898014405 584074335 /nfs/dbraw/zinc/07/43/35/584074335.db2.gz BORJAQWFYVUOIZ-UHFFFAOYSA-N 2 0 226.364 1.079 20 0 BDADRP O[C@H](CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000898203182 584090569 /nfs/dbraw/zinc/09/05/69/584090569.db2.gz GJNTYSFQVSPHLQ-MELADBBJSA-N 2 0 238.375 1.364 20 0 BDADRP Cc1ncccc1CC[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000898255286 584101516 /nfs/dbraw/zinc/10/15/16/584101516.db2.gz JOAYRDUBQYODGF-SMDDNHRTSA-N 2 0 233.359 1.472 20 0 BDADRP CC[N@@H+]1C[C@H](C)N(c2cc[nH+]c(CO)c2)C[C@@H]1C ZINC000858462957 588957215 /nfs/dbraw/zinc/95/72/15/588957215.db2.gz ZHMSPMOFEILBCM-RYUDHWBXSA-N 2 0 249.358 1.493 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000873237868 584127847 /nfs/dbraw/zinc/12/78/47/584127847.db2.gz USKXGLUUUIBSTF-JHJVBQTASA-N 2 0 239.407 1.352 20 0 BDADRP CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C1(C)C ZINC000873254876 584128030 /nfs/dbraw/zinc/12/80/30/584128030.db2.gz APLMUJZWUFOGIX-FDYHWXHSSA-N 2 0 240.391 1.905 20 0 BDADRP CCO[C@@]1(C)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000858502676 588961135 /nfs/dbraw/zinc/96/11/35/588961135.db2.gz NNVNPFQVDVPQKQ-YUSLTOFOSA-N 2 0 238.375 1.769 20 0 BDADRP CC[NH+](CC)CCCNC(=[NH2+])N[C@H](C)C1CC1 ZINC000899263666 584191091 /nfs/dbraw/zinc/19/10/91/584191091.db2.gz IGFJJLSZLUSEOI-LLVKDONJSA-N 2 0 240.395 1.631 20 0 BDADRP CC(C)[NH+](Cc1cn(C[C@@H](C)[NH3+])nn1)C(C)C ZINC000899725541 584230232 /nfs/dbraw/zinc/23/02/32/584230232.db2.gz XFSSEERPSVUXAK-LLVKDONJSA-N 2 0 239.367 1.244 20 0 BDADRP [NH3+]C1(c2noc(C34CCC(CC3)[NH2+]4)n2)CCC1 ZINC000900008318 584264890 /nfs/dbraw/zinc/26/48/90/584264890.db2.gz DRMDWKUNVVZAIY-UHFFFAOYSA-N 2 0 234.303 1.149 20 0 BDADRP CC(C)C[C@H]([NH3+])Cc1nc(C2([NH3+])CCC2)no1 ZINC000900009107 584265059 /nfs/dbraw/zinc/26/50/59/584265059.db2.gz USGQBDFFLPXBQU-VIFPVBQESA-N 2 0 238.335 1.323 20 0 BDADRP CC[C@@H](O)CC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902348402 584559037 /nfs/dbraw/zinc/55/90/37/584559037.db2.gz LMJSEHJRAKZXNR-NWDGAFQWSA-N 2 0 228.380 1.515 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCC2CC(O)C2)C1 ZINC000902377550 584568381 /nfs/dbraw/zinc/56/83/81/584568381.db2.gz UPRMTPIDDRAXDA-OTTFEQOBSA-N 2 0 240.391 1.515 20 0 BDADRP C[C@H]([NH2+]CC1([NH3+])CC1)C1CCSCC1 ZINC000902406517 584574002 /nfs/dbraw/zinc/57/40/02/584574002.db2.gz NHEDHFNKLYBETD-VIFPVBQESA-N 2 0 214.378 1.599 20 0 BDADRP CC(C)CO[C@@H]1C[C@@H]([NH2+]CC2([NH3+])CC2)C1(C)C ZINC000902412463 584576424 /nfs/dbraw/zinc/57/64/24/584576424.db2.gz AHGMHUBCFLNHBQ-VXGBXAGGSA-N 2 0 240.391 1.907 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902386402 584578200 /nfs/dbraw/zinc/57/82/00/584578200.db2.gz DESIMKAQVHOJJE-OLZOCXBDSA-N 2 0 242.407 1.763 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H](NC[C@H]2CCCC[NH2+]2)C1 ZINC000902389897 584581071 /nfs/dbraw/zinc/58/10/71/584581071.db2.gz CMTXFPZMSDIMCI-CHWSQXEVSA-N 2 0 239.407 1.496 20 0 BDADRP CC1(C)C[NH2+]CC[C@H](NC[C@H]2CCCC[NH2+]2)C1 ZINC000902389936 584581324 /nfs/dbraw/zinc/58/13/24/584581324.db2.gz CMTXFPZMSDIMCI-QWHCGFSZSA-N 2 0 239.407 1.496 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)O1 ZINC000902390031 584581405 /nfs/dbraw/zinc/58/14/05/584581405.db2.gz FSCPPWAOCNERAK-AGIUHOORSA-N 2 0 240.391 1.922 20 0 BDADRP CC1(C)C[NH2+]CC[C@H](NCC2([NH3+])CCCC2)C1 ZINC000902400826 584586759 /nfs/dbraw/zinc/58/67/59/584586759.db2.gz WALXCPQUPFXQFA-LBPRGKRZSA-N 2 0 239.407 1.626 20 0 BDADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)NCC1([NH3+])CC1 ZINC000902403767 584588226 /nfs/dbraw/zinc/58/82/26/584588226.db2.gz BCXHNIMNHRQQBM-NWDGAFQWSA-N 2 0 225.380 1.378 20 0 BDADRP CCC[C@@H](O)CC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902404055 584588840 /nfs/dbraw/zinc/58/88/40/584588840.db2.gz ISPPLPSYMQRLJV-QWHCGFSZSA-N 2 0 242.407 1.905 20 0 BDADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCON ZINC000902415784 584589929 /nfs/dbraw/zinc/58/99/29/584589929.db2.gz QZFDDIVQTZPLKH-RYUDHWBXSA-N 2 0 229.368 1.167 20 0 BDADRP NOCCC[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000902417346 584591178 /nfs/dbraw/zinc/59/11/78/584591178.db2.gz YHWMRFJLQYCQQC-ZDUSSCGKSA-N 2 0 237.347 1.337 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CC(C)(C)C1CC1 ZINC000902429715 584594883 /nfs/dbraw/zinc/59/48/83/584594883.db2.gz FSTWSEZWOIDNTC-GFCCVEGCSA-N 2 0 228.380 1.766 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000902429562 584594932 /nfs/dbraw/zinc/59/49/32/584594932.db2.gz MSEPJQNWRBVQKL-DGAVXFQQSA-N 2 0 240.391 1.645 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902430039 584595025 /nfs/dbraw/zinc/59/50/25/584595025.db2.gz CCSPXOJUUIHTON-XJFOESAGSA-N 2 0 231.343 1.081 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000902433289 584595902 /nfs/dbraw/zinc/59/59/02/584595902.db2.gz ZWSKIHFKESQAFV-CYDGBPFRSA-N 2 0 226.364 1.397 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902437977 584596690 /nfs/dbraw/zinc/59/66/90/584596690.db2.gz LHGJZLRTGTVJGQ-QPKOPYBWSA-N 2 0 245.370 1.151 20 0 BDADRP CC1(C)C[NH2+]C[C@@H]1[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000902444260 584598145 /nfs/dbraw/zinc/59/81/45/584598145.db2.gz MXZPBWGIYGJVGD-UTUOFQBUSA-N 2 0 208.349 1.763 20 0 BDADRP CC1(C)[C@H]([NH2+]CC2([NH3+])CC2)[C@H]2CCCO[C@H]21 ZINC000902414105 584599518 /nfs/dbraw/zinc/59/95/18/584599518.db2.gz SOCCUDFCYNWVFE-GMTAPVOTSA-N 2 0 224.348 1.271 20 0 BDADRP CC[N@@H+]1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)[C@H](C)C1 ZINC000902472935 584601168 /nfs/dbraw/zinc/60/11/68/584601168.db2.gz LZPMZDLMKOMZNI-XGFWRYKXSA-N 2 0 237.391 1.199 20 0 BDADRP C(N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)[C@@H]1CCCCC[NH2+]1 ZINC000902476275 584602869 /nfs/dbraw/zinc/60/28/69/584602869.db2.gz LAIASDXSFAEVSD-PMKSJIGOSA-N 2 0 249.402 1.105 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902447275 584605183 /nfs/dbraw/zinc/60/51/83/584605183.db2.gz XUOPLVYDYIWIKS-WDEREUQCSA-N 3 0 213.369 1.092 20 0 BDADRP C[C@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)[NH2+]2 ZINC000902453295 584607696 /nfs/dbraw/zinc/60/76/96/584607696.db2.gz OVTNGYKDPWDXNE-CGGCUGCTSA-N 2 0 248.370 1.281 20 0 BDADRP COc1nn(C)cc1C[NH2+][C@H](C)CCCC[NH3+] ZINC000902453595 584608316 /nfs/dbraw/zinc/60/83/16/584608316.db2.gz CHRANZUCHUXIKI-SNVBAGLBSA-N 2 0 240.351 1.036 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC000902455837 584609244 /nfs/dbraw/zinc/60/92/44/584609244.db2.gz NEGHSZJJIWHJFS-YFKTTZPYSA-N 2 0 208.349 1.905 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@@H]2CCC[C@@H]12)[C@H]1CCC[NH2+]1 ZINC000902456442 584610208 /nfs/dbraw/zinc/61/02/08/584610208.db2.gz OZEDXLKNYFJKSH-KIJLLGNVSA-N 2 0 208.349 1.905 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]C[C@]12C[C@H]1COC21CCC1 ZINC000902462326 584612135 /nfs/dbraw/zinc/61/21/35/584612135.db2.gz UPYMUJRYSVNCKP-MROQNXINSA-N 2 0 238.375 1.661 20 0 BDADRP C1CCC2(C1)[NH2+]CC[C@H]2N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902466800 584614199 /nfs/dbraw/zinc/61/41/99/584614199.db2.gz MXJPJIOHUMMOLR-YVECIDJPSA-N 2 0 235.375 1.144 20 0 BDADRP C1C[NH2+][C@H]([C@@H]2CCC[C@H]2N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC000902468236 584614540 /nfs/dbraw/zinc/61/45/40/584614540.db2.gz RYVKVTVASFOMKP-ULXLPNHUSA-N 2 0 249.402 1.390 20 0 BDADRP C[N@@H+]1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)[C@@H]2CCC[C@@H]21 ZINC000902469194 584615389 /nfs/dbraw/zinc/61/53/89/584615389.db2.gz YXFWHCNSIRCEOQ-DBWOOVFOSA-N 2 0 249.402 1.342 20 0 BDADRP CC(C)[C@H]1CC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902469224 584615716 /nfs/dbraw/zinc/61/57/16/584615716.db2.gz ZHLKRBOALATZSU-NJMOYASZSA-N 2 0 208.349 1.904 20 0 BDADRP CC[NH+]1CCC(NC[C@H]2CCCCC[NH2+]2)CC1 ZINC000902491253 584618426 /nfs/dbraw/zinc/61/84/26/584618426.db2.gz WGOSRYCCDXJLQI-CQSZACIVSA-N 2 0 239.407 1.593 20 0 BDADRP Cc1ncccc1CC[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000902511093 584622888 /nfs/dbraw/zinc/62/28/88/584622888.db2.gz BUTPTIXSYTWZKY-QWRGUYRKSA-N 2 0 221.348 1.648 20 0 BDADRP C([NH2+]C1CCOCC1)[C@H]1CCCCC[NH2+]1 ZINC000902481956 584624146 /nfs/dbraw/zinc/62/41/46/584624146.db2.gz ISWMUSHEANTKAW-GFCCVEGCSA-N 2 0 212.337 1.287 20 0 BDADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H](c2cncc(F)c2)C2CC2)C1 ZINC000902487371 584626905 /nfs/dbraw/zinc/62/69/05/584626905.db2.gz UCCGPUFAIPQPTP-HERUPUMHSA-N 2 0 249.333 1.999 20 0 BDADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000902487652 584627000 /nfs/dbraw/zinc/62/70/00/584627000.db2.gz LEILEBGCZXHSGY-OASPWFOLSA-N 2 0 208.349 1.892 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1COC[C@@H]1C1CC1 ZINC000902517532 584629812 /nfs/dbraw/zinc/62/98/12/584629812.db2.gz JBVCWMMCCFPNHV-RUZUBIRVSA-N 2 0 238.375 1.389 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]C/C=C\Cl ZINC000902517566 584630258 /nfs/dbraw/zinc/63/02/58/584630258.db2.gz JNTRJKABXSEWSA-AZVKUDOFSA-N 2 0 206.717 1.082 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C/C=C\Cl ZINC000902519814 584631689 /nfs/dbraw/zinc/63/16/89/584631689.db2.gz MPYYZVSFUWELAF-ICFXRCHLSA-N 2 0 202.729 1.717 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCOC1CCSCC1 ZINC000902521393 584631800 /nfs/dbraw/zinc/63/18/00/584631800.db2.gz RXUXKUPZUODSHN-MNOVXSKESA-N 2 0 246.420 1.614 20 0 BDADRP CCn1cnc(CN[C@@H](C)C[N@H+](C)C(C)C)c1 ZINC000902569036 584636202 /nfs/dbraw/zinc/63/62/02/584636202.db2.gz GONYARFELUGSIO-LBPRGKRZSA-N 2 0 238.379 1.721 20 0 BDADRP CN1CC[C@](O)(C[NH2+]C2C[C@@H]3CCC[C@H]3C2)C1 ZINC000902953234 584704561 /nfs/dbraw/zinc/70/45/61/584704561.db2.gz BIPQVDZOTIZXQU-OBJOEFQTSA-N 2 0 238.375 1.221 20 0 BDADRP C[NH+](C)CCOCC[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902971179 584712577 /nfs/dbraw/zinc/71/25/77/584712577.db2.gz UICWWXSIFKDVAR-BTTYYORXSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@](C[NH3+])([NH2+]CCc1ccns1)C1CC1 ZINC000903426507 584761029 /nfs/dbraw/zinc/76/10/29/584761029.db2.gz NITDQXLWYBJTKE-LLVKDONJSA-N 2 0 225.361 1.403 20 0 BDADRP CC(C)[C@](C)(C[NH3+])[NH2+]CCc1ccns1 ZINC000903426472 584761261 /nfs/dbraw/zinc/76/12/61/584761261.db2.gz LDFOKZMNGJIOPU-NSHDSACASA-N 2 0 227.377 1.649 20 0 BDADRP C[C@H](c1ncccn1)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000903422436 584764516 /nfs/dbraw/zinc/76/45/16/584764516.db2.gz CPSWBZMWDZLJSN-WDEREUQCSA-N 2 0 234.347 1.597 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCCO1 ZINC000903458854 584765898 /nfs/dbraw/zinc/76/58/98/584765898.db2.gz LSMRMNKMXTYUMZ-USZNOCQGSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@@H]1C[C@@H](C)[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H]1C[NH3+] ZINC000903459197 584766020 /nfs/dbraw/zinc/76/60/20/584766020.db2.gz DQYZNSIPRHGITP-POQQGIQPSA-N 3 0 239.407 1.419 20 0 BDADRP C[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H]1CC[NH3+] ZINC000903461187 584766444 /nfs/dbraw/zinc/76/64/44/584766444.db2.gz OWEMMNFNNWDYCU-MQYQWHSLSA-N 3 0 239.407 1.563 20 0 BDADRP C[C@H](CO)C1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903461226 584766547 /nfs/dbraw/zinc/76/65/47/584766547.db2.gz QASALLPQUUQYRL-BZPMIXESSA-N 2 0 240.391 1.182 20 0 BDADRP [NH3+]CCOc1ccc(NC[C@H]2CCC[NH2+]2)cc1 ZINC000903447201 584770596 /nfs/dbraw/zinc/77/05/96/584770596.db2.gz JCGBNQQUBVYDOB-GFCCVEGCSA-N 2 0 235.331 1.188 20 0 BDADRP C[NH2+]CCC1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903447211 584770844 /nfs/dbraw/zinc/77/08/44/584770844.db2.gz JNKQIIIVSBPWDH-OCCSQVGLSA-N 3 0 239.407 1.163 20 0 BDADRP C([C@H]1CCC[NH2+]1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000903453605 584772547 /nfs/dbraw/zinc/77/25/47/584772547.db2.gz DJRHBJIMBRGKOM-MGPQQGTHSA-N 2 0 237.391 1.202 20 0 BDADRP C(C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)OC1CC1 ZINC000903453991 584772667 /nfs/dbraw/zinc/77/26/67/584772667.db2.gz QTEUSEYRRLFQQM-STQMWFEESA-N 2 0 238.375 1.487 20 0 BDADRP CCN1C[C@@H](C)[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H]1C ZINC000903455339 584773796 /nfs/dbraw/zinc/77/37/96/584773796.db2.gz UPTDOFRXUZZLCS-SYQHCUMBSA-N 2 0 239.407 1.528 20 0 BDADRP CCN1C[C@H](C)[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H]1C ZINC000903455337 584774288 /nfs/dbraw/zinc/77/42/88/584774288.db2.gz UPTDOFRXUZZLCS-FQUUOJAGSA-N 2 0 239.407 1.528 20 0 BDADRP COC(=O)CCCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903471318 584775281 /nfs/dbraw/zinc/77/52/81/584775281.db2.gz IMGJSTMTJYTXMY-LLVKDONJSA-N 2 0 240.347 1.204 20 0 BDADRP C(C[C@@H]1CCCO1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903471764 584775293 /nfs/dbraw/zinc/77/52/93/584775293.db2.gz MAUYZZGQBYSDMR-RYUDHWBXSA-N 2 0 224.348 1.430 20 0 BDADRP C(C[C@H]1CCC[NH2+]C1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903471863 584775322 /nfs/dbraw/zinc/77/53/22/584775322.db2.gz VDYKPXCIRLTZDK-OLZOCXBDSA-N 3 0 237.391 1.250 20 0 BDADRP C(C[C@@H]1CCCCO1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903470975 584775380 /nfs/dbraw/zinc/77/53/80/584775380.db2.gz FTVMIIGAJWGEPC-QWHCGFSZSA-N 2 0 238.375 1.820 20 0 BDADRP [NH3+]C[C@@H]1Cc2ccccc2N(C[C@H]2CCC[NH2+]2)C1 ZINC000903475864 584777012 /nfs/dbraw/zinc/77/70/12/584777012.db2.gz GKHJOTGZZBLKDD-GXTWGEPZSA-N 2 0 245.370 1.376 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH3+])N(C[C@H]2CCC[NH2+]2)[C@@H]1C ZINC000903482771 584778564 /nfs/dbraw/zinc/77/85/64/584778564.db2.gz SBXBWVLUGMUXRQ-LPWJVIDDSA-N 2 0 225.380 1.186 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@H]2CC[NH2+]C23CCCC3)C1 ZINC000903482157 584778864 /nfs/dbraw/zinc/77/88/64/584778864.db2.gz YNYVCXNOTQRORW-XQQFMLRXSA-N 2 0 238.375 1.676 20 0 BDADRP C(C[C@@H]1CCCO1)[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903484426 584779548 /nfs/dbraw/zinc/77/95/48/584779548.db2.gz QYZHYECSVVYCTC-QWHCGFSZSA-N 2 0 238.375 1.820 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2C[C@]23CCOC3)C[C@H]1CC[NH3+] ZINC000903499329 584779995 /nfs/dbraw/zinc/77/99/95/584779995.db2.gz RGMYHWLZVJEYLH-MQYQWHSLSA-N 2 0 238.375 1.330 20 0 BDADRP [NH3+]CCC[N@@H+]1C[C@@H]2COC[C@]2(c2ccccc2)C1 ZINC000903490690 584780822 /nfs/dbraw/zinc/78/08/22/584780822.db2.gz DJHOXEHKGUNRRJ-CABCVRRESA-N 2 0 246.354 1.235 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCC[C@@H]1COC(C)(C)C ZINC000903563789 584781979 /nfs/dbraw/zinc/78/19/79/584781979.db2.gz LHKIKUVJFQKIFW-GFCCVEGCSA-N 2 0 228.380 1.875 20 0 BDADRP C[NH2+]CCC[NH+]1CCC(c2ccn(C)n2)CC1 ZINC000903564022 584782057 /nfs/dbraw/zinc/78/20/57/584782057.db2.gz NXYQXNUXHMEOKO-UHFFFAOYSA-N 2 0 236.363 1.209 20 0 BDADRP CCCCOC(=O)CCN1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903557280 584783114 /nfs/dbraw/zinc/78/31/14/584783114.db2.gz MQMRHVGFOVALRT-LLVKDONJSA-N 2 0 242.363 1.389 20 0 BDADRP CN(CCN1C[C@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000903558156 584783227 /nfs/dbraw/zinc/78/32/27/584783227.db2.gz ITRIAJQMDBAKSR-AWEZNQCLSA-N 2 0 247.386 1.792 20 0 BDADRP C[NH2+]CCN(CCCCCC[NH3+])C(C)C ZINC000903574270 584783966 /nfs/dbraw/zinc/78/39/66/584783966.db2.gz ZCRZCWZHFADIIT-UHFFFAOYSA-N 2 0 215.385 1.435 20 0 BDADRP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[NH+]1CCCCCC1 ZINC000903717000 584792619 /nfs/dbraw/zinc/79/26/19/584792619.db2.gz GGHVRPLFQQLJEY-KBPBESRZSA-N 2 0 238.375 1.631 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCCCN1C[C@H]1CCCC[NH2+]C1 ZINC000903713319 584793463 /nfs/dbraw/zinc/79/34/63/584793463.db2.gz MRVXLEXWRIBTMM-IHRRRGAJSA-N 2 0 239.407 1.578 20 0 BDADRP [NH3+]C[C@H]1CCCCN1C[C@@H]1CCCC[NH2+]C1 ZINC000903713596 584793546 /nfs/dbraw/zinc/79/35/46/584793546.db2.gz XHARYWUDZVTCBT-CHWSQXEVSA-N 2 0 225.380 1.189 20 0 BDADRP CC1([NH3+])CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903745364 584794327 /nfs/dbraw/zinc/79/43/27/584794327.db2.gz DZXCCFBAPTWEPO-GFCCVEGCSA-N 2 0 225.380 1.189 20 0 BDADRP CC1CC(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000903749538 584794878 /nfs/dbraw/zinc/79/48/78/584794878.db2.gz LHEYRXGKKMPJIP-JXQTWKCFSA-N 2 0 237.391 1.012 20 0 BDADRP C[C@@H]1CN(C[C@H]2CCCC[NH2+]C2)[C@@H](C)C[NH2+]1 ZINC000903752387 584795705 /nfs/dbraw/zinc/79/57/05/584795705.db2.gz SDNNSOLDAUKXLL-AGIUHOORSA-N 2 0 225.380 1.058 20 0 BDADRP C([C@@H]1CC2(CO1)CC[NH2+]CC2)[NH+]1CCCCC1 ZINC000903734412 584795955 /nfs/dbraw/zinc/79/59/55/584795955.db2.gz ZBLFCUHNTHFJNJ-ZDUSSCGKSA-N 2 0 238.375 1.631 20 0 BDADRP CC[C@H](C)[N@H+](CC)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903767925 584798140 /nfs/dbraw/zinc/79/81/40/584798140.db2.gz JNDHCOJBXVXHGQ-IHRRRGAJSA-N 2 0 240.391 1.875 20 0 BDADRP C[N@H+](CCc1cnccn1)C[C@@H]1CCCC[NH2+]C1 ZINC000903755176 584798727 /nfs/dbraw/zinc/79/87/27/584798727.db2.gz BXJBGNSCFDGBJW-CYBMUJFWSA-N 2 0 248.374 1.341 20 0 BDADRP C([C@H]1CCCC[NH2+]C1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000903781340 584799468 /nfs/dbraw/zinc/79/94/68/584799468.db2.gz QSLQIYJAWGZDHS-BFHYXJOUSA-N 2 0 237.391 1.202 20 0 BDADRP C[N@H+](CCCF)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903784226 584800259 /nfs/dbraw/zinc/80/02/59/584800259.db2.gz LXUXCRAZVARDHB-VXGBXAGGSA-N 2 0 230.327 1.046 20 0 BDADRP C[C@@H](O)C[N@@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903810326 584803218 /nfs/dbraw/zinc/80/32/18/584803218.db2.gz BAJHZAIDODHXOU-NEPJUHHUSA-N 2 0 226.364 1.351 20 0 BDADRP FCCC[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818908 584803603 /nfs/dbraw/zinc/80/36/03/584803603.db2.gz XWYYWVAVJQSUEW-UHFFFAOYSA-N 2 0 230.327 1.191 20 0 BDADRP C[C@H]1CCOCC[N@@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903832994 584806058 /nfs/dbraw/zinc/80/60/58/584806058.db2.gz VAQWXEMMEFFOTO-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP Cc1cc(CN2CC[C@H]3CC[C@@]32C[NH3+])c(C)nn1 ZINC000903862633 584812987 /nfs/dbraw/zinc/81/29/87/584812987.db2.gz AXMJBNNUANQZAI-ZIAGYGMSSA-N 2 0 246.358 1.407 20 0 BDADRP C[NH2+]CCCN1CCCc2cc(CC[NH3+])ccc21 ZINC000903870743 584814366 /nfs/dbraw/zinc/81/43/66/584814366.db2.gz IBZPLSSIWPAFKI-UHFFFAOYSA-N 2 0 247.386 1.550 20 0 BDADRP C([C@@H]1C[C@H]2C[C@H]2C1)[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903869170 584814783 /nfs/dbraw/zinc/81/47/83/584814783.db2.gz CXEZWDNGXDHYGL-XJFOESAGSA-N 2 0 220.360 1.860 20 0 BDADRP CC(C)CC[C@@H](O)CN1CCC[C@@]12CC[NH2+]C2 ZINC000903871410 584815400 /nfs/dbraw/zinc/81/54/00/584815400.db2.gz UEZVTYBOIKBLDM-KGLIPLIRSA-N 2 0 240.391 1.611 20 0 BDADRP CCCN(C[C@H]([NH3+])CC(F)F)[C@@H]1CC[NH2+]C1 ZINC000903873834 584815865 /nfs/dbraw/zinc/81/58/65/584815865.db2.gz MOMMSLJZAFVHNK-NXEZZACHSA-N 2 0 235.322 1.043 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCCCN1C[C@@H]([NH3+])CC(F)F ZINC000903873348 584815918 /nfs/dbraw/zinc/81/59/18/584815918.db2.gz HMNGRMPFDHVOBC-LPEHRKFASA-N 2 0 235.322 1.171 20 0 BDADRP CCCN(C[C@H]([NH3+])CC(F)F)[C@H]1CC[NH2+]C1 ZINC000903873837 584815943 /nfs/dbraw/zinc/81/59/43/584815943.db2.gz MOMMSLJZAFVHNK-ZJUUUORDSA-N 2 0 235.322 1.043 20 0 BDADRP C[C@H]1C[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)N1 ZINC000903873701 584816107 /nfs/dbraw/zinc/81/61/07/584816107.db2.gz KVEGDHRICJEFFB-WSOGJNRSSA-N 2 0 237.391 1.199 20 0 BDADRP C[N@H+](C[C@H](N)CC(F)F)C1CCC([NH3+])CC1 ZINC000903873278 584816216 /nfs/dbraw/zinc/81/62/16/584816216.db2.gz GHSNIUBKVHLINV-HWOCKDDLSA-N 2 0 235.322 1.171 20 0 BDADRP [NH3+]CCC[N@@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000903875948 584816702 /nfs/dbraw/zinc/81/67/02/584816702.db2.gz UOANOEHQCYLEHK-CHWSQXEVSA-N 2 0 226.364 1.474 20 0 BDADRP CC[N@H+](C)C[C@@H]1CCN(C[C@@H]([NH3+])CC(F)F)C1 ZINC000903897967 584819866 /nfs/dbraw/zinc/81/98/66/584819866.db2.gz KTOIHFDSWJFSSV-QWRGUYRKSA-N 2 0 249.349 1.243 20 0 BDADRP C[C@@H]1C[C@H](N(C)C[C@H]([NH3+])CC(F)F)CC[N@@H+]1C ZINC000903895636 584820066 /nfs/dbraw/zinc/82/00/66/584820066.db2.gz PLBOLYHWQZNNJE-GMTAPVOTSA-N 2 0 249.349 1.383 20 0 BDADRP CC1([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]CC1 ZINC000903918658 584822281 /nfs/dbraw/zinc/82/22/81/584822281.db2.gz DTRSQEOYFGWPRX-YHWZYXNKSA-N 3 0 237.391 1.249 20 0 BDADRP CC(C)(C)[C@H](CN)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918733 584822376 /nfs/dbraw/zinc/82/23/76/584822376.db2.gz GPYJQCMPEZWUBD-WVMKXHBISA-N 2 0 239.407 1.480 20 0 BDADRP C[C@H]1C[C@@H](C[NH2+]CCC(C)(C)[NH3+])CC[NH2+]1 ZINC000903939514 584822603 /nfs/dbraw/zinc/82/26/03/584822603.db2.gz IBEMINULQSPKGY-QWRGUYRKSA-N 3 0 213.369 1.092 20 0 BDADRP c1cc(CN[C@@H]2CCC[NH2+]C2)c2c(c1)C[NH2+]CC2 ZINC000903918584 584822649 /nfs/dbraw/zinc/82/26/49/584822649.db2.gz CCRAGRILXMLTLY-CQSZACIVSA-N 2 0 245.370 1.174 20 0 BDADRP N[C@H](C[NH2+]CCC[C@@H]1CCC[NH2+]1)CC(F)F ZINC000903920970 584823033 /nfs/dbraw/zinc/82/30/33/584823033.db2.gz YXBGYKJQEKBNKF-VHSXEESVSA-N 2 0 235.322 1.091 20 0 BDADRP Cc1c(C[C@@H](C[NH3+])C[NH2+]CC(C)C)cnn1C ZINC000903924287 584823621 /nfs/dbraw/zinc/82/36/21/584823621.db2.gz BJSNCDZXSKKNQG-LBPRGKRZSA-N 2 0 238.379 1.092 20 0 BDADRP C[C@@H]1[C@H](CO)CCCN1C[C@H]([NH3+])CC(F)F ZINC000903929631 584824281 /nfs/dbraw/zinc/82/42/81/584824281.db2.gz IEDWMRUDTRTDDD-KXUCPTDWSA-N 2 0 236.306 1.062 20 0 BDADRP C1=C[C@@H]([NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000903934076 584825237 /nfs/dbraw/zinc/82/52/37/584825237.db2.gz ZPJVQEPYRNJEKY-VXGBXAGGSA-N 2 0 247.346 1.011 20 0 BDADRP C[NH2+]Cc1ccccc1NC[C@H]([NH3+])CC(F)F ZINC000903918236 584826935 /nfs/dbraw/zinc/82/69/35/584826935.db2.gz VNMSXFSLGBSREC-SNVBAGLBSA-N 2 0 243.301 1.800 20 0 BDADRP C([NH2+]C[C@@H]1CCCCN1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903917749 584827183 /nfs/dbraw/zinc/82/71/83/584827183.db2.gz MYYJIYWPPHSYAA-GSPSYOTPSA-N 2 0 237.391 1.249 20 0 BDADRP COC[C@H](C)C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903959908 584827550 /nfs/dbraw/zinc/82/75/50/584827550.db2.gz RPMCFGJTLHBBJR-KGLIPLIRSA-N 2 0 240.391 1.735 20 0 BDADRP CC(C)([NH3+])CCNC1CC[NH+](CC2CC2)CC1 ZINC000903940060 584829125 /nfs/dbraw/zinc/82/91/25/584829125.db2.gz VDCCBAVJECQJLG-UHFFFAOYSA-N 2 0 239.407 1.578 20 0 BDADRP CC(C)([NH3+])CC[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903940002 584829145 /nfs/dbraw/zinc/82/91/45/584829145.db2.gz SRLLCOAELSWKCD-YOGCLGLASA-N 3 0 225.380 1.234 20 0 BDADRP C[C@]1(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)CC[NH2+]C1 ZINC000903953381 584831324 /nfs/dbraw/zinc/83/13/24/584831324.db2.gz DQLSGVYUKRAKFJ-MJBXVCDLSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]CC1=CCCOC1 ZINC000903978798 584832854 /nfs/dbraw/zinc/83/28/54/584832854.db2.gz MPOTWSHLUJJUJU-DGCLKSJQSA-N 2 0 224.348 1.168 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C1CCC([NH3+])CC1 ZINC000903978902 584832917 /nfs/dbraw/zinc/83/29/17/584832917.db2.gz OQVUZWBKKGTCOC-OKZRHMCRSA-N 3 0 225.380 1.092 20 0 BDADRP CC[C@@H]1C[C@@H](C[NH2+][C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000903963716 584833749 /nfs/dbraw/zinc/83/37/49/584833749.db2.gz GQBSOCMSMBEXFO-YVECIDJPSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCCSC1 ZINC000903966764 584834539 /nfs/dbraw/zinc/83/45/39/584834539.db2.gz BMSMZHFUEQICKR-VWYCJHECSA-N 2 0 214.378 1.327 20 0 BDADRP CC(C)[NH+]1CCC(N[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903964788 584834736 /nfs/dbraw/zinc/83/47/36/584834736.db2.gz VUPWWLGHEVOZCC-DGCLKSJQSA-N 2 0 225.380 1.057 20 0 BDADRP CCCC[C@H](COC)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903967505 584835045 /nfs/dbraw/zinc/83/50/45/584835045.db2.gz KABYKXFHBBGOKF-FRRDWIJNSA-N 2 0 228.380 1.637 20 0 BDADRP CC[N@@H+]1CC[C@@H](NC[C@@H]2C[NH2+]C[C@H]2C)[C@@H](C)C1 ZINC000903967338 584835163 /nfs/dbraw/zinc/83/51/63/584835163.db2.gz HMOONSDVPNVLFM-ZOBORPQBSA-N 2 0 239.407 1.162 20 0 BDADRP [NH3+][C@@H](C[NH2+][C@@H]1CCO[C@H]1C1CC1)CC(F)F ZINC000903986582 584835649 /nfs/dbraw/zinc/83/56/49/584835649.db2.gz MQYHHABUBKLIEZ-KKZNHRDASA-N 2 0 234.290 1.126 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)C1 ZINC000903986418 584835696 /nfs/dbraw/zinc/83/56/96/584835696.db2.gz JFVIRNZTIXDQLG-RVMXOQNASA-N 2 0 224.348 1.413 20 0 BDADRP C[NH2+][C@@H]1CCN(C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC000904297216 584860061 /nfs/dbraw/zinc/86/00/61/584860061.db2.gz IWUQPNVYGFPFBZ-VXGBXAGGSA-N 2 0 227.396 1.434 20 0 BDADRP CC(C)N1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904301452 584861037 /nfs/dbraw/zinc/86/10/37/584861037.db2.gz IJPHRPIOHOBEHG-BETUJISGSA-N 2 0 225.380 1.140 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccc(C[NH3+])cc2)CC[C@@H]1[NH3+] ZINC000904300199 584861185 /nfs/dbraw/zinc/86/11/85/584861185.db2.gz YRFITZKYCKYYMQ-RISCZKNCSA-N 3 0 233.359 1.314 20 0 BDADRP C[C@]1(C[N@@H+]2CCC[C@@H](CO)C2)CCC[NH2+]C1 ZINC000904301553 584861212 /nfs/dbraw/zinc/86/12/12/584861212.db2.gz NRRORSCUCNEWEZ-OLZOCXBDSA-N 2 0 226.364 1.080 20 0 BDADRP CCCN(CCO)C[C@H]([NH3+])CCC(C)(C)C ZINC000904303876 584862212 /nfs/dbraw/zinc/86/22/12/584862212.db2.gz KLPPBLKYZJTUDM-GFCCVEGCSA-N 2 0 230.396 1.844 20 0 BDADRP C[N@H+](CCOc1ccccc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904302732 584862267 /nfs/dbraw/zinc/86/22/67/584862267.db2.gz YEKJOUTWRNBPOE-BETUJISGSA-N 2 0 234.343 1.735 20 0 BDADRP C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C[C@H]1CCCC[C@H]1O ZINC000904328561 584865919 /nfs/dbraw/zinc/86/59/19/584865919.db2.gz GXHDIDZPQFNPIG-FVCCEPFGSA-N 2 0 226.364 1.207 20 0 BDADRP CC1(CO)CC[NH+](C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904331522 584866130 /nfs/dbraw/zinc/86/61/30/584866130.db2.gz JBRFSIVGFNEBNU-CQSZACIVSA-N 2 0 240.391 1.471 20 0 BDADRP C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C[C@@H]1CCCC[C@@H]1O ZINC000904328565 584866161 /nfs/dbraw/zinc/86/61/61/584866161.db2.gz GXHDIDZPQFNPIG-RVMXOQNASA-N 2 0 226.364 1.207 20 0 BDADRP CCN(CCCO)C[C@@H]([NH3+])CCC(C)(C)C ZINC000904340752 584866398 /nfs/dbraw/zinc/86/63/98/584866398.db2.gz CFRRAJFPROTWHW-LBPRGKRZSA-N 2 0 230.396 1.844 20 0 BDADRP CC1([NH3+])CCN(C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000904333766 584866527 /nfs/dbraw/zinc/86/65/27/584866527.db2.gz FQMDDCOMUASGNB-LBPRGKRZSA-N 2 0 225.380 1.189 20 0 BDADRP [NH3+]Cc1ccc(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000904334156 584866581 /nfs/dbraw/zinc/86/65/81/584866581.db2.gz NMEHCOHTULNSMP-GASCZTMLSA-N 2 0 245.370 1.472 20 0 BDADRP C[N@H+](CCCCO)C[C@]1(C)CCC[NH2+]C1 ZINC000904341350 584867023 /nfs/dbraw/zinc/86/70/23/584867023.db2.gz OCYMJTGAJOMLQG-GFCCVEGCSA-N 2 0 214.353 1.080 20 0 BDADRP CCCC[C@@H](C[NH3+])NCc1ccc(C[NH3+])cc1 ZINC000904350094 584869187 /nfs/dbraw/zinc/86/91/87/584869187.db2.gz HWRYNFRFBMEAAT-AWEZNQCLSA-N 2 0 235.375 1.752 20 0 BDADRP C[C@]1(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)CCC[NH2+]C1 ZINC000904350850 584869304 /nfs/dbraw/zinc/86/93/04/584869304.db2.gz QPCGHPRCNWZOQN-MCIONIFRSA-N 2 0 237.391 1.060 20 0 BDADRP C[C@@]1(CN2CC[C@]3(CC[NH2+]C3)C2)CCC[NH2+]C1 ZINC000904351178 584869562 /nfs/dbraw/zinc/86/95/62/584869562.db2.gz VUXZOOKJBLVNON-KGLIPLIRSA-N 2 0 237.391 1.062 20 0 BDADRP C[NH2+]Cc1ccccc1NC[C@H]1C[C@@H]([NH3+])C1 ZINC000904352776 584870053 /nfs/dbraw/zinc/87/00/53/584870053.db2.gz AKBLBIDTDURTMR-KLPPZKSPSA-N 2 0 219.332 1.555 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CNC[C@@H]1CCC[NH2+]1 ZINC000904353775 584870275 /nfs/dbraw/zinc/87/02/75/584870275.db2.gz QXNWDOGTOGZAER-RYUDHWBXSA-N 2 0 227.396 1.482 20 0 BDADRP N[C@H](C[NH2+]C1CC(C[NH3+])C1)c1ccccc1 ZINC000904353602 584870328 /nfs/dbraw/zinc/87/03/28/584870328.db2.gz OJQCHXCGPXWISO-KGPNIALWSA-N 2 0 219.332 1.013 20 0 BDADRP [NH3+]Cc1ccc(CNC[C@@H]2CCCC[NH2+]2)cc1 ZINC000904354079 584870506 /nfs/dbraw/zinc/87/05/06/584870506.db2.gz VVIYBIOQTBOJIP-AWEZNQCLSA-N 2 0 233.359 1.377 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000904354851 584870638 /nfs/dbraw/zinc/87/06/38/584870638.db2.gz JTCDUNRFUXVCLP-RWMBFGLXSA-N 3 0 241.423 1.857 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]Cc1nccn1C1CC1 ZINC000904354893 584870896 /nfs/dbraw/zinc/87/08/96/584870896.db2.gz KRGHKZIDCIOCEK-SNVBAGLBSA-N 2 0 222.336 1.435 20 0 BDADRP [NH3+]CCOc1ccc(NC2CC(C[NH3+])C2)cc1 ZINC000904355160 584870922 /nfs/dbraw/zinc/87/09/22/584870922.db2.gz KVDAZFRBLPYUAF-UHFFFAOYSA-N 2 0 235.331 1.173 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CNC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000904355475 584871235 /nfs/dbraw/zinc/87/12/35/584871235.db2.gz SEDOPQIOMJLIOI-SRVKXCTJSA-N 2 0 245.386 1.430 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CN[C@H]1CCC[NH2+]CC1 ZINC000904356326 584871492 /nfs/dbraw/zinc/87/14/92/584871492.db2.gz VUGTWRJAQZOOPC-STQMWFEESA-N 2 0 241.423 1.872 20 0 BDADRP CN(CC[NH2+]C[C@H]1C[C@@H]([NH3+])C1)C1CCCC1 ZINC000904362249 584871967 /nfs/dbraw/zinc/87/19/67/584871967.db2.gz KJPVCNOFKHYAAJ-TXEJJXNPSA-N 2 0 225.380 1.188 20 0 BDADRP COCc1ccccc1C[NH2+]C1CC(C[NH3+])C1 ZINC000904361034 584872006 /nfs/dbraw/zinc/87/20/06/584872006.db2.gz SVICNGKDJWQCSV-UHFFFAOYSA-N 2 0 234.343 1.660 20 0 BDADRP COCc1ccccc1C[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904361083 584872133 /nfs/dbraw/zinc/87/21/33/584872133.db2.gz UXPLKGFOGGSIAV-VDISTLRHSA-N 2 0 234.343 1.660 20 0 BDADRP Cc1ccc(C[C@H](CO)[NH2+]C2CC(C[NH3+])C2)cc1 ZINC000904369037 584872491 /nfs/dbraw/zinc/87/24/91/584872491.db2.gz QHQRTOJVMILUJH-YMAMQOFZSA-N 2 0 248.370 1.225 20 0 BDADRP Cc1csc(C[NH2+]C2CC(C[NH3+])C2)n1 ZINC000904367210 584872863 /nfs/dbraw/zinc/87/28/63/584872863.db2.gz WPBYSGUHHFBFRP-UHFFFAOYSA-N 2 0 211.334 1.278 20 0 BDADRP C[C@@H]1CC2(C[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1)CC[NH2+]CC2 ZINC000904374088 584873800 /nfs/dbraw/zinc/87/38/00/584873800.db2.gz MOFAHMAOIYZDQB-UPJWGTAASA-N 3 0 237.391 1.188 20 0 BDADRP C[NH2+]CCCN(C)Cc1ccc(C[NH3+])cc1 ZINC000904373791 584873972 /nfs/dbraw/zinc/87/39/72/584873972.db2.gz WGKHMKVZXFFZLZ-UHFFFAOYSA-N 2 0 221.348 1.187 20 0 BDADRP C[C@H]1CCCC[C@H]1[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904362999 584874230 /nfs/dbraw/zinc/87/42/30/584874230.db2.gz VWWFGAHNINRYLA-GXTWGEPZSA-N 2 0 239.407 1.578 20 0 BDADRP Cc1nc(CC[NH2+]C2CC(C[NH3+])C2)cs1 ZINC000904366643 584875025 /nfs/dbraw/zinc/87/50/25/584875025.db2.gz NTIOPQMTUSAADR-UHFFFAOYSA-N 2 0 225.361 1.321 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+]CCC2(C[NH3+])CC2)cc1 ZINC000904375576 584875593 /nfs/dbraw/zinc/87/55/93/584875593.db2.gz CCEIHIKTBNZKTG-UHFFFAOYSA-N 3 0 233.359 1.364 20 0 BDADRP [NH3+]Cc1ccc(CN[C@H](C[NH3+])C(F)(F)F)cc1 ZINC000904377341 584875837 /nfs/dbraw/zinc/87/58/37/584875837.db2.gz NWETYCITLMKLMF-SNVBAGLBSA-N 2 0 247.264 1.125 20 0 BDADRP C[C@H](O)C[N@H+](C[C@@]1(C)CCC[NH2+]C1)C1CC1 ZINC000904377058 584876213 /nfs/dbraw/zinc/87/62/13/584876213.db2.gz IRLUNJCKGGVWOV-AAEUAGOBSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(C[NH3+])cc1 ZINC000904376503 584876404 /nfs/dbraw/zinc/87/64/04/584876404.db2.gz UVNDMPQARZSZDY-BXUZGUMPSA-N 3 0 233.359 1.457 20 0 BDADRP C[C@@]12COC[C@@H]1C[N@H+](C[C@@]1(C)CCC[NH2+]C1)C2 ZINC000904379813 584876470 /nfs/dbraw/zinc/87/64/70/584876470.db2.gz XWFZFFVFOUWFGU-MELADBBJSA-N 2 0 238.375 1.344 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CN1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000904379816 584876549 /nfs/dbraw/zinc/87/65/49/584876549.db2.gz XZYZQSLBVGTYPW-QJPTWQEYSA-N 2 0 245.386 1.511 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1NC[C@@H]([NH3+])CCC(C)(C)C ZINC000904381491 584876790 /nfs/dbraw/zinc/87/67/90/584876790.db2.gz WMUOKEASTAAMLK-RWMBFGLXSA-N 2 0 241.423 1.870 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C[C@H]1CO ZINC000904381589 584877046 /nfs/dbraw/zinc/87/70/46/584877046.db2.gz ZERDAMOKVKWUSE-RDBSUJKOSA-N 2 0 240.391 1.326 20 0 BDADRP CC1(C)C[C@H](O)C[N@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904383926 584877331 /nfs/dbraw/zinc/87/73/31/584877331.db2.gz DDWVXYZLCTUESB-GXTWGEPZSA-N 2 0 240.391 1.469 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C2CC(C[NH3+])C2)C1 ZINC000904385407 584877983 /nfs/dbraw/zinc/87/79/83/584877983.db2.gz XUGRRXHTUOMYAZ-CXQJBGSLSA-N 2 0 225.380 1.092 20 0 BDADRP CCOc1cccc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)n1 ZINC000904405666 584878667 /nfs/dbraw/zinc/87/86/67/584878667.db2.gz MHQLGHYYWCWWTA-GFCCVEGCSA-N 2 0 249.358 1.651 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000904407110 584878882 /nfs/dbraw/zinc/87/88/82/584878882.db2.gz NJGQMKMVVWFLDN-NWDGAFQWSA-N 3 0 213.369 1.031 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](CC2=CCCOC2)C1 ZINC000904407329 584878998 /nfs/dbraw/zinc/87/89/98/584878998.db2.gz TYFUSASIPDRIEX-LLVKDONJSA-N 2 0 210.321 1.004 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cocn2)CC[C@@H]1C[NH3+] ZINC000904411966 584879484 /nfs/dbraw/zinc/87/94/84/584879484.db2.gz YKDQRANDJBWHCO-NXEZZACHSA-N 2 0 209.293 1.091 20 0 BDADRP CCn1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cn1 ZINC000904411090 584879816 /nfs/dbraw/zinc/87/98/16/584879816.db2.gz JYDYSCQYVGDWFK-YPMHNXCESA-N 2 0 236.363 1.320 20 0 BDADRP C/C=C/C[C@H](CO)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000186521716 584912153 /nfs/dbraw/zinc/91/21/53/584912153.db2.gz GSUYBGPBSXGVHX-ISZGNANSSA-N 2 0 240.391 1.776 20 0 BDADRP Cc1ccc([C@H](O)C[NH2+][C@H](C)CCCC[NH3+])o1 ZINC000817911983 584990915 /nfs/dbraw/zinc/99/09/15/584990915.db2.gz CZGXSEZCINOYGQ-ZYHUDNBSSA-N 2 0 240.347 1.729 20 0 BDADRP CC[NH+](CC)CCOCC[NH2+]Cc1ccoc1 ZINC000757945213 585347367 /nfs/dbraw/zinc/34/73/67/585347367.db2.gz ZXYKWHJNWDRWTA-UHFFFAOYSA-N 2 0 240.347 1.728 20 0 BDADRP FCC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000759344152 585369524 /nfs/dbraw/zinc/36/95/24/585369524.db2.gz CJYQFVLVYQUDML-UHFFFAOYSA-N 2 0 244.354 1.533 20 0 BDADRP CC(C)[N@@H+]1CCCN(CC[NH+]2CCCC2)CC1 ZINC000760827737 585398429 /nfs/dbraw/zinc/39/84/29/585398429.db2.gz NKFWONDHNUCVHU-UHFFFAOYSA-N 2 0 239.407 1.498 20 0 BDADRP CC1CCN(CC[NH2+][C@@H](CCO)C2CC2)CC1 ZINC000763067748 585442718 /nfs/dbraw/zinc/44/27/18/585442718.db2.gz PZJJNJYAKFURRN-AWEZNQCLSA-N 2 0 240.391 1.469 20 0 BDADRP COC1CC([NH2+]C2CCC(C[NH+](C)C)CC2)C1 ZINC000769534058 585559121 /nfs/dbraw/zinc/55/91/21/585559121.db2.gz YQLGCSGAHXHJSJ-UHFFFAOYSA-N 2 0 240.391 1.874 20 0 BDADRP C[N@H+](CC1CC[NH+](C)CC1)[C@@H]1CCSC1 ZINC000770510794 585575210 /nfs/dbraw/zinc/57/52/10/585575210.db2.gz QMJSHBBQONWYOO-GFCCVEGCSA-N 2 0 228.405 1.766 20 0 BDADRP C(C[N@@H+]1CC[C@@H]2C[C@@H]21)C[NH+]1CCCCC1 ZINC000781904734 585805130 /nfs/dbraw/zinc/80/51/30/585805130.db2.gz SHCKROHUKAPCJV-OLZOCXBDSA-N 2 0 208.349 1.957 20 0 BDADRP CN(C)c1ccnc(NCC2([NH+](C)C)CCC2)n1 ZINC000782391679 585817038 /nfs/dbraw/zinc/81/70/38/585817038.db2.gz LMSJVXPRWMKBHB-UHFFFAOYSA-N 2 0 249.362 1.439 20 0 BDADRP C[C@H]1C[N@H+](CC2CC[NH+](C)CC2)CC(C)(C)O1 ZINC000788478855 585925095 /nfs/dbraw/zinc/92/50/95/585925095.db2.gz KCPJGVIFLSKGMC-LBPRGKRZSA-N 2 0 240.391 1.828 20 0 BDADRP C[N@@H+]1CC[C@H](NCc2ccon2)[C@H]2CCC[C@@H]21 ZINC000796788362 586112638 /nfs/dbraw/zinc/11/26/38/586112638.db2.gz JLSZVDOMDRRHCI-AGIUHOORSA-N 2 0 235.331 1.637 20 0 BDADRP CC(=O)OC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000798181762 586138555 /nfs/dbraw/zinc/13/85/55/586138555.db2.gz YHTWJCAQFJBMBJ-CMPLNLGQSA-N 2 0 240.347 1.012 20 0 BDADRP CC(=O)OC[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000798181588 586138664 /nfs/dbraw/zinc/13/86/64/586138664.db2.gz MHWPZFNLRWSROB-NSHDSACASA-N 2 0 242.363 1.400 20 0 BDADRP CC[NH+](CC)CCOC(=O)[C@H](C(C)C)[NH+](C)C ZINC000803495328 586362058 /nfs/dbraw/zinc/36/20/58/586362058.db2.gz NSVDQGNLWMRBBD-LBPRGKRZSA-N 2 0 244.379 1.458 20 0 BDADRP C[N@@H+]1CCC=C(c2cccc(C[NH3+])c2)C1 ZINC000757571812 586462460 /nfs/dbraw/zinc/46/24/60/586462460.db2.gz MUZKDYXBDATRPV-UHFFFAOYSA-N 2 0 202.301 1.864 20 0 BDADRP Cc1cc(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)nc(N)[nH+]1 ZINC000811811429 586567235 /nfs/dbraw/zinc/56/72/35/586567235.db2.gz BVKJUAUVGGCPCP-NXEZZACHSA-N 2 0 247.346 1.404 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H](O)c1ccccc1 ZINC000817892690 586832886 /nfs/dbraw/zinc/83/28/86/586832886.db2.gz BPLFKBFIJJHZJR-SNPRPXQTSA-N 2 0 248.370 1.698 20 0 BDADRP CS[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000817897653 586834941 /nfs/dbraw/zinc/83/49/41/586834941.db2.gz URVMBPKVFIMSPP-ZRUFSTJUSA-N 2 0 214.378 1.740 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCc1ccc(Cl)nc1 ZINC000817902299 586836282 /nfs/dbraw/zinc/83/62/82/586836282.db2.gz MUMQQADOZOMEAO-VHSXEESVSA-N 2 0 241.766 1.993 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCNc1ccccc1 ZINC000817901949 586836353 /nfs/dbraw/zinc/83/63/53/586836353.db2.gz ZXHWQUMTVHPZMX-GXTWGEPZSA-N 2 0 233.359 1.816 20 0 BDADRP C[C@@H](CN[C@@H]1C[NH2+]CC[C@H]1C)[NH+]1CCCCC1 ZINC000817913144 586838059 /nfs/dbraw/zinc/83/80/59/586838059.db2.gz FYRULMNWGPEFRZ-HZSPNIEDSA-N 2 0 239.407 1.448 20 0 BDADRP CC1(O)CCC([NH2+][C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000817912525 586838228 /nfs/dbraw/zinc/83/82/28/586838228.db2.gz JRZKYUGHXNFGOB-DKNRTOFZSA-N 2 0 240.391 1.930 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC[C@H](C)[NH+]1CCCCC1 ZINC000817913895 586839049 /nfs/dbraw/zinc/83/90/49/586839049.db2.gz PZCPYQDQJCSTOA-AVGNSLFASA-N 2 0 227.396 1.576 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@@]1(O)CCc2ccccc21 ZINC000817916309 586839492 /nfs/dbraw/zinc/83/94/92/586839492.db2.gz DFVFBEHRBJVXFB-KFWWJZLASA-N 2 0 246.354 1.290 20 0 BDADRP C[C@@H]([NH2+]C[C@]1(O)CCc2ccccc21)C1C[NH2+]C1 ZINC000817918514 586840197 /nfs/dbraw/zinc/84/01/97/586840197.db2.gz VLTXQBJERCJMRY-IAQYHMDHSA-N 2 0 246.354 1.018 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cccc(F)n1 ZINC000817918473 586840306 /nfs/dbraw/zinc/84/03/06/586840306.db2.gz UWFRYFJKLIZFKN-SNVBAGLBSA-N 2 0 225.311 1.828 20 0 BDADRP C[C@](O)(CC[NH2+][C@@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000817924786 586840939 /nfs/dbraw/zinc/84/09/39/586840939.db2.gz YDHMWAWKYOFPAI-ZNMIVQPWSA-N 2 0 248.370 1.754 20 0 BDADRP Cc1ccc([C@@H](O)C[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000817926495 586841002 /nfs/dbraw/zinc/84/10/02/586841002.db2.gz KHCJXEGVNGCJLB-KKUMJFAQSA-N 2 0 248.370 1.745 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cccnc1F ZINC000817927362 586841748 /nfs/dbraw/zinc/84/17/48/586841748.db2.gz JXTGSXCCNVJXKE-JTQLQIEISA-N 2 0 225.311 1.828 20 0 BDADRP C[C@@H]([NH2+]C[C@@]1(C)CC1(Cl)Cl)C1C[NH2+]C1 ZINC000817935700 586844430 /nfs/dbraw/zinc/84/44/30/586844430.db2.gz DAPZERNYPLYUNQ-VXNVDRBHSA-N 2 0 237.174 1.768 20 0 BDADRP [NH3+]CCc1ccc(CN[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000817947611 586846852 /nfs/dbraw/zinc/84/68/52/586846852.db2.gz CBDDFVNZRLWXOC-UONOGXRCSA-N 2 0 233.359 1.157 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817949131 586847052 /nfs/dbraw/zinc/84/70/52/586847052.db2.gz OFGXHIZOEWENAQ-DOMZBBRYSA-N 2 0 248.370 1.702 20 0 BDADRP CCOc1cccc([C@@H](C)[NH2+]CC2C[NH2+]C2)c1 ZINC000817965753 586855753 /nfs/dbraw/zinc/85/57/53/586855753.db2.gz UWYYHYRMTJANQI-LLVKDONJSA-N 2 0 234.343 1.955 20 0 BDADRP C[NH+](C)Cc1cccc(C[NH2+]C[C@H](O)C2CC2)c1 ZINC000818954096 586917401 /nfs/dbraw/zinc/91/74/01/586917401.db2.gz SIUKTHBTWBUDDN-HNNXBMFYSA-N 2 0 248.370 1.609 20 0 BDADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)C2CC2)C1 ZINC000818981216 586920189 /nfs/dbraw/zinc/92/01/89/586920189.db2.gz STIIILNIMOIQIB-AAEUAGOBSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H](CC[NH2+]C[C@H](O)C1CC1)[NH+]1CCCCC1 ZINC000819231512 586940949 /nfs/dbraw/zinc/94/09/49/586940949.db2.gz XNUZXQUTSVUHQD-JSGCOSHPSA-N 2 0 240.391 1.611 20 0 BDADRP CC(C)(C[NH2+]C[C@@H](O)C1CC1)C[NH+]1CCCC1 ZINC000819260500 586944582 /nfs/dbraw/zinc/94/45/82/586944582.db2.gz UAOUSQLGMQPDJU-CYBMUJFWSA-N 2 0 240.391 1.469 20 0 BDADRP O[C@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)C1CC1 ZINC000819267533 586945385 /nfs/dbraw/zinc/94/53/85/586945385.db2.gz KYWDWZYYQSNCRF-CQSZACIVSA-N 2 0 238.375 1.221 20 0 BDADRP C[N@H+](CCCC[NH2+]C[C@@H](O)C1CC1)C1CC1 ZINC000819363327 586956855 /nfs/dbraw/zinc/95/68/55/586956855.db2.gz VLHRJHYVMQJUSU-CYBMUJFWSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H](CCO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000820810950 587074187 /nfs/dbraw/zinc/07/41/87/587074187.db2.gz HZMATWWWJJSNNX-CRMUJIHISA-N 2 0 238.375 1.505 20 0 BDADRP CO[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000821401978 587117017 /nfs/dbraw/zinc/11/70/17/587117017.db2.gz JXJHIECFRBYICY-YNEHKIRRSA-N 2 0 226.364 1.437 20 0 BDADRP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCN(CCCO)C1 ZINC000824583832 587277917 /nfs/dbraw/zinc/27/79/17/587277917.db2.gz RVJWSWWTMMTVIV-AGIUHOORSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCCCN1CCO ZINC000824582981 587278126 /nfs/dbraw/zinc/27/81/26/587278126.db2.gz GLWKDGJMXGTBBE-AGIUHOORSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@H]1CCC[N@@H+]1CCNC(=O)CCCCC[NH3+] ZINC000831970493 587639997 /nfs/dbraw/zinc/63/99/97/587639997.db2.gz HHMFHTHPPMRAFA-LBPRGKRZSA-N 2 0 241.379 1.106 20 0 BDADRP CN(CC[N@H+](C)C1CC1)C(=O)CCCCC[NH3+] ZINC000832082473 587644608 /nfs/dbraw/zinc/64/46/08/587644608.db2.gz NDXKDCZYDMHBKA-UHFFFAOYSA-N 2 0 241.379 1.058 20 0 BDADRP C[C@H]([NH2+]C1CC1)C(=O)Nc1cccc(C[NH3+])c1 ZINC000832223765 587651936 /nfs/dbraw/zinc/65/19/36/587651936.db2.gz VDXIDLAXZIMCHG-VIFPVBQESA-N 2 0 233.315 1.224 20 0 BDADRP C[C@H](NC(=O)CCCCC[NH3+])[C@H]1CCC[NH2+]C1 ZINC000832498449 587663773 /nfs/dbraw/zinc/66/37/73/587663773.db2.gz ZUXSQRQWIJBILZ-RYUDHWBXSA-N 2 0 241.379 1.010 20 0 BDADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@H]([NH3+])C1 ZINC000832526387 587664942 /nfs/dbraw/zinc/66/49/42/587664942.db2.gz CPTWVHHUJOWIJJ-LBPRGKRZSA-N 2 0 241.379 1.058 20 0 BDADRP CCCCCC[N@H+](C)CC(=O)N(C)[C@H](C)C[NH3+] ZINC000832726320 587679724 /nfs/dbraw/zinc/67/97/24/587679724.db2.gz OEENKDDHYXLACY-GFCCVEGCSA-N 2 0 243.395 1.304 20 0 BDADRP CCCCCC[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000834821896 587767668 /nfs/dbraw/zinc/76/76/68/587767668.db2.gz UQFGRHXDDYPCMF-VXGBXAGGSA-N 2 0 243.395 1.350 20 0 BDADRP [NH3+]Cc1cccc(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c1 ZINC000834861522 587768706 /nfs/dbraw/zinc/76/87/06/587768706.db2.gz JDMCHPRZMSQVJY-WCQYABFASA-N 2 0 247.342 1.003 20 0 BDADRP COC(=O)CC(C)(C)[NH2+]C[C@@H]([NH3+])CC(C)C ZINC000841010775 587934650 /nfs/dbraw/zinc/93/46/50/587934650.db2.gz URBLCNVYXMVPRD-JTQLQIEISA-N 2 0 230.352 1.291 20 0 BDADRP [NH3+]CCC[N@@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000841007341 587934803 /nfs/dbraw/zinc/93/48/03/587934803.db2.gz PHILTCYFODETEY-HUUCEWRRSA-N 2 0 248.370 1.923 20 0 BDADRP CC[C@](C)(CC(=O)OC)[NH2+]C[C@@H]([NH3+])CC(C)C ZINC000841011839 587935680 /nfs/dbraw/zinc/93/56/80/587935680.db2.gz OTLYVKLEBGJUPP-WCQYABFASA-N 2 0 244.379 1.681 20 0 BDADRP Cc1cc(C[NH2+]C[C@H](C)C[NH3+])cnc1Cl ZINC000841049498 587939715 /nfs/dbraw/zinc/93/97/15/587939715.db2.gz SOWFYHNWHVCVLJ-MRVPVSSYSA-N 2 0 227.739 1.728 20 0 BDADRP CC(C)(CN(CC[NH3+])CCO)c1ccccc1 ZINC000841059182 587940674 /nfs/dbraw/zinc/94/06/74/587940674.db2.gz MMKZGTBQJZASEX-UHFFFAOYSA-N 2 0 236.359 1.217 20 0 BDADRP CCCCC[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000841088388 587942901 /nfs/dbraw/zinc/94/29/01/587942901.db2.gz ZULYAENZMJQNLY-CHWSQXEVSA-N 2 0 228.380 1.923 20 0 BDADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)nc2)C1 ZINC000841083387 587945780 /nfs/dbraw/zinc/94/57/80/587945780.db2.gz BTUDMAGNRVQYKJ-MWLCHTKSSA-N 2 0 239.750 1.952 20 0 BDADRP [NH3+]CCCCCC(=O)NCC1([NH3+])CCCCC1 ZINC000841845391 587977163 /nfs/dbraw/zinc/97/71/63/587977163.db2.gz VJOSMKAVYNTKLR-UHFFFAOYSA-N 2 0 241.379 1.283 20 0 BDADRP CCC(CC)(C[NH3+])NC(=O)c1cccc(C[NH3+])c1 ZINC000841848726 587977754 /nfs/dbraw/zinc/97/77/54/587977754.db2.gz QIDXJLNTCLEHJY-UHFFFAOYSA-N 2 0 249.358 1.393 20 0 BDADRP C[C@@H]1CC[N@H+](CCCCCCC[NH3+])C[C@@H]1C[NH3+] ZINC000842478545 588030007 /nfs/dbraw/zinc/03/00/07/588030007.db2.gz KQBOTJMBYJYMGJ-KGLIPLIRSA-N 3 0 241.423 1.812 20 0 BDADRP C[NH2+][C@H](C)Cc1noc(CCCCCC[NH3+])n1 ZINC000842623625 588046401 /nfs/dbraw/zinc/04/64/01/588046401.db2.gz WPMGGMQEQCTRLV-SNVBAGLBSA-N 2 0 240.351 1.282 20 0 BDADRP c1ccc([C@H]2CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)nc1 ZINC000843113924 588082415 /nfs/dbraw/zinc/08/24/15/588082415.db2.gz BOCOUEUZNCGUQY-KBPBESRZSA-N 2 0 245.370 1.871 20 0 BDADRP Cn1cncc1C[NH2+]CCCCCC[NH3+] ZINC000843126865 588084190 /nfs/dbraw/zinc/08/41/90/588084190.db2.gz KHEGNYAYRFMKJC-UHFFFAOYSA-N 2 0 210.325 1.029 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CCCCCC[NH3+])[C@@H](C)C1 ZINC000843126542 588084625 /nfs/dbraw/zinc/08/46/25/588084625.db2.gz IOFGVLJKQOKKAB-KBPBESRZSA-N 2 0 241.423 1.825 20 0 BDADRP CO[C@@H](C)[C@H](C)[NH2+]CCCCCC[NH3+] ZINC000843341940 588100916 /nfs/dbraw/zinc/10/09/16/588100916.db2.gz LXXSQRMRHNXQRD-QWRGUYRKSA-N 2 0 202.342 1.519 20 0 BDADRP C[C@H]([NH2+]CCCCCC[NH3+])c1ccc(=O)[nH]n1 ZINC000843341209 588100937 /nfs/dbraw/zinc/10/09/37/588100937.db2.gz HKYYWQJBICQPKI-JTQLQIEISA-N 2 0 238.335 1.352 20 0 BDADRP C[C@@H]1CN(C)C[C@H]1[NH2+]CCCCCC[NH3+] ZINC000843342131 588101059 /nfs/dbraw/zinc/10/10/59/588101059.db2.gz NKOXSOZHHXQBJX-VXGBXAGGSA-N 2 0 213.369 1.045 20 0 BDADRP C[C@H]([NH2+]CCCCCC[NH3+])c1cnccn1 ZINC000843343642 588101304 /nfs/dbraw/zinc/10/13/04/588101304.db2.gz WLGCQKRXPOQLEG-NSHDSACASA-N 2 0 222.336 1.646 20 0 BDADRP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CCCCCC[NH3+] ZINC000843342739 588101558 /nfs/dbraw/zinc/10/15/58/588101558.db2.gz SXJHKCDSLTULLC-JSGCOSHPSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCCCCC[NH3+])[C@H](C)O1 ZINC000843342945 588101564 /nfs/dbraw/zinc/10/15/64/588101564.db2.gz VPSGQUAXCWQVRL-GRYCIOLGSA-N 2 0 214.353 1.661 20 0 BDADRP C[C@H]([NH2+]CCCCCC[NH3+])c1cnccc1N ZINC000843344264 588101628 /nfs/dbraw/zinc/10/16/28/588101628.db2.gz SLRLAJBKRGUFDX-NSHDSACASA-N 2 0 236.363 1.664 20 0 BDADRP CC[C@@H]([NH2+]CCCCCC[NH3+])[C@@H]1CCC[NH2+]1 ZINC000843343933 588101643 /nfs/dbraw/zinc/10/16/43/588101643.db2.gz MGRWWWJFUFMLJU-OLZOCXBDSA-N 3 0 227.396 1.626 20 0 BDADRP [NH3+]C[C@H]1CCC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000843347725 588102573 /nfs/dbraw/zinc/10/25/73/588102573.db2.gz IULSNUFPYNJIAI-CQSZACIVSA-N 3 0 239.407 1.437 20 0 BDADRP C[C@H]1CCC[N@H+](CCCCCCC[NH3+])[C@H]1CN ZINC000843350890 588102701 /nfs/dbraw/zinc/10/27/01/588102701.db2.gz ATHNCCSUPUYYTF-KBPBESRZSA-N 2 0 241.423 1.955 20 0 BDADRP C[NH2+]C[C@H]1CCCN1CCCCCCC[NH3+] ZINC000843352488 588102935 /nfs/dbraw/zinc/10/29/35/588102935.db2.gz HFIYJZJUHMKTFS-CYBMUJFWSA-N 2 0 227.396 1.579 20 0 BDADRP NC[C@H]1CCC[N@@H+]1CCCCCCC[NH3+] ZINC000843352713 588103054 /nfs/dbraw/zinc/10/30/54/588103054.db2.gz SLGYDGZINHRTPD-GFCCVEGCSA-N 2 0 213.369 1.319 20 0 BDADRP Cc1cccc2c1CC[N@H+](CCOCC[NH3+])C2 ZINC000843358501 588103677 /nfs/dbraw/zinc/10/36/77/588103677.db2.gz POCYSNSFACKEGF-UHFFFAOYSA-N 2 0 234.343 1.328 20 0 BDADRP CCCCOC(=O)[C@H](C)N1CC[C@@](C)(C[NH3+])C1 ZINC000843382777 588105685 /nfs/dbraw/zinc/10/56/85/588105685.db2.gz RXMLBZXPWDQPMP-AAEUAGOBSA-N 2 0 242.363 1.389 20 0 BDADRP COC(=O)C[C@@H]1CCC[N@@H+]1CCCCCC[NH3+] ZINC000846221397 588260139 /nfs/dbraw/zinc/26/01/39/588260139.db2.gz YHWFMSGUTUGOIH-LBPRGKRZSA-N 2 0 242.363 1.533 20 0 BDADRP C[C@@H]1CCC[N@H+](CCCCCC[NH3+])[C@@H]1CN ZINC000846217425 588260416 /nfs/dbraw/zinc/26/04/16/588260416.db2.gz HJKAKZBOKBPDHZ-CHWSQXEVSA-N 2 0 227.396 1.565 20 0 BDADRP C[C@](CN)([NH2+]CCCCCC[NH3+])C1CC1 ZINC000846217364 588260478 /nfs/dbraw/zinc/26/04/78/588260478.db2.gz FPGSXZGBEZRSRB-GFCCVEGCSA-N 2 0 213.369 1.223 20 0 BDADRP CCCN(CCCCCC[NH3+])[C@H]1CC[NH2+]C1 ZINC000846217202 588260498 /nfs/dbraw/zinc/26/04/98/588260498.db2.gz CNTWCHYLAFRRRV-ZDUSSCGKSA-N 2 0 227.396 1.579 20 0 BDADRP CCC[C@@H]1CNCC[N@@H+]1CCCCCC[NH3+] ZINC000846220205 588260670 /nfs/dbraw/zinc/26/06/70/588260670.db2.gz KPWJWOKRVYONIZ-CYBMUJFWSA-N 2 0 227.396 1.579 20 0 BDADRP C[N@H+](Cc1cc2n(n1)CCC2)C1CCC([NH3+])CC1 ZINC000846218003 588260720 /nfs/dbraw/zinc/26/07/20/588260720.db2.gz RLMWVXMYJNRTTA-UHFFFAOYSA-N 2 0 248.374 1.531 20 0 BDADRP C[N@H+](CCC[NH3+])[C@H]1C[C@@H]1c1ccccc1 ZINC000846222011 588261082 /nfs/dbraw/zinc/26/10/82/588261082.db2.gz KHCDUOHRJVKMOI-OLZOCXBDSA-N 2 0 204.317 1.823 20 0 BDADRP C[NH2+]CCC1CC[NH+](CCCCCC[NH3+])CC1 ZINC000846220660 588261161 /nfs/dbraw/zinc/26/11/61/588261161.db2.gz TUVBZUJLDWNAQS-UHFFFAOYSA-N 3 0 241.423 1.827 20 0 BDADRP C[N@H+](CCCCCC[NH3+])[C@H](CN)C1CC1 ZINC000846221080 588261202 /nfs/dbraw/zinc/26/12/02/588261202.db2.gz RZCNDHROYAJEGB-GFCCVEGCSA-N 2 0 213.369 1.175 20 0 BDADRP C[NH2+]CCC[N@H+](C)CCCCCC[NH3+] ZINC000846222488 588261528 /nfs/dbraw/zinc/26/15/28/588261528.db2.gz DPDHXVQPRHMSAO-UHFFFAOYSA-N 3 0 201.358 1.047 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1cccc(C[NH3+])c1 ZINC000846744354 588284335 /nfs/dbraw/zinc/28/43/35/588284335.db2.gz YXTYAPAIKVECBS-MFKMUULPSA-N 2 0 247.342 1.097 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@H]2CCCOC2)C1 ZINC000848562360 588397743 /nfs/dbraw/zinc/39/77/43/588397743.db2.gz IEKMPQPATBDCIS-UPJWGTAASA-N 2 0 226.364 1.343 20 0 BDADRP C[NH+](C)C1(CNC(=[NH2+])NC2CCC2)CCCC1 ZINC000848981254 588423841 /nfs/dbraw/zinc/42/38/41/588423841.db2.gz LNVYPTDUJJBZDU-UHFFFAOYSA-N 2 0 238.379 1.527 20 0 BDADRP CC[C@@H](C)NC(=[NH2+])NCC[NH+](CC)CC ZINC000848980642 588423874 /nfs/dbraw/zinc/42/38/74/588423874.db2.gz XWYBOEVQSGBXNU-SNVBAGLBSA-N 2 0 214.357 1.241 20 0 BDADRP CCNC(=[NH2+])NC[C@@H](CC(C)C)[NH+](CC)CC ZINC000848984136 588424859 /nfs/dbraw/zinc/42/48/59/588424859.db2.gz RYRANPODLABTPI-GFCCVEGCSA-N 2 0 242.411 1.877 20 0 BDADRP CC[C@@H](CNC(=[NH2+])N1CCC1)[NH+]1CCCC1 ZINC000848986464 588425577 /nfs/dbraw/zinc/42/55/77/588425577.db2.gz UTDHYVRLHGDQLG-NSHDSACASA-N 2 0 224.352 1.091 20 0 BDADRP C[C@@H](CNC(=[NH2+])N1CCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000848986958 588425900 /nfs/dbraw/zinc/42/59/00/588425900.db2.gz BREVXVCFWDEHMO-RYUDHWBXSA-N 2 0 238.379 1.337 20 0 BDADRP CC(C)[N@H+](C)CCCNC(=[NH2+])N(C)C1CC1 ZINC000848987537 588426151 /nfs/dbraw/zinc/42/61/51/588426151.db2.gz DTNVARJAARDUOC-UHFFFAOYSA-N 2 0 226.368 1.335 20 0 BDADRP CC[C@@H](C)NC(=[NH2+])NCC[NH+]1CCCCCC1 ZINC000848987768 588426189 /nfs/dbraw/zinc/42/61/89/588426189.db2.gz YXHBDPYQRGOUCA-GFCCVEGCSA-N 2 0 240.395 1.775 20 0 BDADRP CNC(=[NH2+])NCCCC[NH+]1CCC(C)CC1 ZINC000848989238 588426853 /nfs/dbraw/zinc/42/68/53/588426853.db2.gz IECSCFIAFQXZST-UHFFFAOYSA-N 2 0 226.368 1.242 20 0 BDADRP CC[C@@H](C)NC(=[NH2+])NCCC[NH2+]C(C)(C)C ZINC000848994134 588428312 /nfs/dbraw/zinc/42/83/12/588428312.db2.gz VXISITBDAABUGG-SNVBAGLBSA-N 2 0 228.384 1.677 20 0 BDADRP C[C@H](CNC(=[NH2+])N1CCC1)C[NH+]1CCCCC1 ZINC000848995216 588428760 /nfs/dbraw/zinc/42/87/60/588428760.db2.gz HDCPTIJSSIIFSW-GFCCVEGCSA-N 2 0 238.379 1.338 20 0 BDADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=[NH2+])N2CCC2)C1 ZINC000848998937 588429832 /nfs/dbraw/zinc/42/98/32/588429832.db2.gz JXFJCZDDTCHXTR-LBPRGKRZSA-N 2 0 238.379 1.337 20 0 BDADRP CC[C@H](C)NC(=[NH2+])NCC[N@@H+]1CC[C@@H](C)C1 ZINC000849004258 588431543 /nfs/dbraw/zinc/43/15/43/588431543.db2.gz JQXRNHFKZYNXCJ-MNOVXSKESA-N 2 0 226.368 1.241 20 0 BDADRP CC[C@H](C)NC(=[NH2+])NCC1([NH+](C)C)CCC1 ZINC000849020707 588438842 /nfs/dbraw/zinc/43/88/42/588438842.db2.gz YHCKQKQUHFWWNB-JTQLQIEISA-N 2 0 226.368 1.383 20 0 BDADRP CCNC(=[NH2+])NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000849024006 588440017 /nfs/dbraw/zinc/44/00/17/588440017.db2.gz NXRPGILNISGSIC-JTQLQIEISA-N 2 0 226.368 1.241 20 0 BDADRP C[C@@H](CNC(=[NH2+])N1CCCCCC1)C[NH+](C)C ZINC000849030451 588442761 /nfs/dbraw/zinc/44/27/61/588442761.db2.gz ONVFLWQDDHJKLN-LBPRGKRZSA-N 2 0 240.395 1.584 20 0 BDADRP CC(C)NC(=[NH2+])NCCCC[N@H+](C)C1CC1 ZINC000849039777 588447117 /nfs/dbraw/zinc/44/71/17/588447117.db2.gz RCBMMTUEUIDGHP-UHFFFAOYSA-N 2 0 226.368 1.383 20 0 BDADRP CN(C(=[NH2+])NCC[C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000849040715 588447483 /nfs/dbraw/zinc/44/74/83/588447483.db2.gz CNWRHSUQLQGIOS-NSHDSACASA-N 2 0 238.379 1.337 20 0 BDADRP CC[C@@H](C)NC(=[NH2+])NCCC[N@H+](C)CC(C)C ZINC000849046210 588450009 /nfs/dbraw/zinc/45/00/09/588450009.db2.gz AFYOJWQIEROQIB-GFCCVEGCSA-N 2 0 242.411 1.877 20 0 BDADRP C[C@H](C[NH2+]C1CC(CF)(CF)C1)C[NH+](C)C ZINC000850472458 588549219 /nfs/dbraw/zinc/54/92/19/588549219.db2.gz ZCAAZCZTYZRHRK-SNVBAGLBSA-N 2 0 234.334 1.862 20 0 BDADRP C[C@]12COC[C@@H]1C[N@H+](CCCCCC[NH3+])C2 ZINC000852758857 588700385 /nfs/dbraw/zinc/70/03/85/588700385.db2.gz FUOGWAWVKDTPQM-STQMWFEESA-N 2 0 226.364 1.474 20 0 BDADRP C[C@@H]1CCN(C(=O)CCCCC[NH3+])[C@H](C[NH3+])C1 ZINC000852863374 588708827 /nfs/dbraw/zinc/70/88/27/588708827.db2.gz MWPQFURUIISBCK-NEPJUHHUSA-N 2 0 241.379 1.091 20 0 BDADRP C[C@@H]1CC([NH2+][C@H]2CC[NH2+]C23CCC3)C[C@@H](C)O1 ZINC000863483057 589292422 /nfs/dbraw/zinc/29/24/22/589292422.db2.gz POYYYZCHYOKUQE-WZRBSPASSA-N 2 0 238.375 1.817 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)CCO1 ZINC000863483747 589293267 /nfs/dbraw/zinc/29/32/67/589293267.db2.gz ZRVVHVGFZLQSAX-UPJWGTAASA-N 2 0 238.375 1.676 20 0 BDADRP COC(=O)C1=CC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000863541454 589297019 /nfs/dbraw/zinc/29/70/19/589297019.db2.gz IXTBZLVADVWPDR-TUAOUCFPSA-N 2 0 238.331 1.108 20 0 BDADRP COc1cccc(OCCN(C)C[C@@H](C)[NH3+])c1 ZINC000863568683 589299971 /nfs/dbraw/zinc/29/99/71/589299971.db2.gz NHXHZSSLSHGKMP-LLVKDONJSA-N 2 0 238.331 1.353 20 0 BDADRP COC[C@]1(C)C[N@H+](CCCCCC[NH3+])CCO1 ZINC000863575144 589301015 /nfs/dbraw/zinc/30/10/15/589301015.db2.gz FEPJUQUYXUSIQN-ZDUSSCGKSA-N 2 0 244.379 1.243 20 0 BDADRP CC(C)C[C@H](CNC(=[NH2+])N[C@@H]1C[C@@H]1C)[NH+](C)C ZINC000864450592 589364064 /nfs/dbraw/zinc/36/40/64/589364064.db2.gz RASNDDARIYRRJJ-QJPTWQEYSA-N 2 0 240.395 1.485 20 0 BDADRP CC[C@H]1CCN(C(=[NH2+])NCC(C)(C)[NH+](C)C)C1 ZINC000864451357 589364498 /nfs/dbraw/zinc/36/44/98/589364498.db2.gz FPIZUWKSUHCHDD-NSHDSACASA-N 2 0 240.395 1.583 20 0 BDADRP C[C@H]1C[C@H]1NC(=[NH2+])NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000864450828 589364829 /nfs/dbraw/zinc/36/48/29/589364829.db2.gz CRTHIJQLJQHGGJ-GRYCIOLGSA-N 2 0 238.379 1.241 20 0 BDADRP C[C@H]1C[C@@H]1NC(=[NH2+])NCC1([NH+](C)C)CCCC1 ZINC000864451761 589365260 /nfs/dbraw/zinc/36/52/60/589365260.db2.gz JENUMUBUNKKOEO-QWRGUYRKSA-N 2 0 238.379 1.383 20 0 BDADRP C[C@@H](CNC(=[NH2+])N[C@H]1C[C@H]1C)[NH+]1CCCCC1 ZINC000864455463 589366631 /nfs/dbraw/zinc/36/66/31/589366631.db2.gz QHKDQZYPKHDTOD-WOPDTQHZSA-N 2 0 238.379 1.383 20 0 BDADRP CC[C@@H](C)[N@H+](C)CCNC(=[NH2+])NCCC1CC1 ZINC000864456513 589367316 /nfs/dbraw/zinc/36/73/16/589367316.db2.gz HWIVXKGGGXADCX-LLVKDONJSA-N 2 0 240.395 1.631 20 0 BDADRP CCC(CC)NC(=[NH2+])NC[C@@H]1CCC[N@H+](C)C1 ZINC000864459070 589368225 /nfs/dbraw/zinc/36/82/25/589368225.db2.gz ZSOSUDIXFBNXKM-NSHDSACASA-N 2 0 240.395 1.631 20 0 BDADRP C[C@H]1C[C@@H]1NC(=[NH2+])NCC1(C)CC[NH+](C)CC1 ZINC000864463072 589369727 /nfs/dbraw/zinc/36/97/27/589369727.db2.gz RDUMCGCMQMOIDG-QWRGUYRKSA-N 2 0 238.379 1.241 20 0 BDADRP C[C@@H]1C[C@@H]1NC(=[NH2+])NCC1(C)CC[NH+](C)CC1 ZINC000864463071 589369797 /nfs/dbraw/zinc/36/97/97/589369797.db2.gz RDUMCGCMQMOIDG-MNOVXSKESA-N 2 0 238.379 1.241 20 0 BDADRP C[C@H](CNc1cc[nH+]cc1C(F)(F)F)[NH+](C)C ZINC000865438055 589436165 /nfs/dbraw/zinc/43/61/65/589436165.db2.gz YHMRKVXCLBSMDR-MRVPVSSYSA-N 2 0 247.264 1.884 20 0 BDADRP CC[C@H](C[C@@H](C)O)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000865875064 589466789 /nfs/dbraw/zinc/46/67/89/589466789.db2.gz AVVXTIRFFZPMJJ-JHJVBQTASA-N 2 0 242.407 1.998 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000866665089 589509433 /nfs/dbraw/zinc/50/94/33/589509433.db2.gz SPAMCXRPFUWDTO-BFHYXJOUSA-N 2 0 238.375 1.487 20 0 BDADRP CC1(C)C[C@H](O)C[N@H+](CC2CC[NH2+]CC2)C1 ZINC000866702485 589513255 /nfs/dbraw/zinc/51/32/55/589513255.db2.gz CAFBNQFZRXTFSC-LBPRGKRZSA-N 2 0 226.364 1.079 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000866703722 589513838 /nfs/dbraw/zinc/51/38/38/589513838.db2.gz LABWXYJXPTWWAE-CHWSQXEVSA-N 2 0 240.416 1.671 20 0 BDADRP C[N@@H+]1CC[C@H]2CN(CC3CC[NH2+]CC3)CC[C@H]21 ZINC000866704569 589514021 /nfs/dbraw/zinc/51/40/21/589514021.db2.gz WIOFOLYBUMKIMO-UONOGXRCSA-N 2 0 237.391 1.012 20 0 BDADRP C[NH2+]CCCN1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705779 589514203 /nfs/dbraw/zinc/51/42/03/589514203.db2.gz AYRSAWGDMWGOEK-CYBMUJFWSA-N 2 0 227.396 1.293 20 0 BDADRP Cc1cncc([C@@H]2CCC[N@@H+]2CCC[NH3+])c1 ZINC000866721132 589515092 /nfs/dbraw/zinc/51/50/92/589515092.db2.gz RTOAUQQOZYDVGW-ZDUSSCGKSA-N 2 0 219.332 1.876 20 0 BDADRP [NH3+]CCCCCCCN1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866724408 589515976 /nfs/dbraw/zinc/51/59/76/589515976.db2.gz KDAIEIWTHTWMMU-UONOGXRCSA-N 2 0 239.407 1.722 20 0 BDADRP C[C@@H](C[NH3+])C(=O)N1c2ccccc2[C@H]([NH3+])C1(C)C ZINC000867988465 589542749 /nfs/dbraw/zinc/54/27/49/589542749.db2.gz MHHMONQKUBNLRX-CABZTGNLSA-N 2 0 247.342 1.406 20 0 BDADRP [NH3+]C1(c2noc(/C=C/[C@H]3CCC[NH2+]C3)n2)CCC1 ZINC000871787604 589818796 /nfs/dbraw/zinc/81/87/96/589818796.db2.gz YIHQADZNNCSEIM-ORAHPGNNSA-N 2 0 248.330 1.420 20 0 BDADRP [NH3+]C1CC[NH+](C[C@H]2CC3(CCC3)CO2)CC1 ZINC000872142493 589882928 /nfs/dbraw/zinc/88/29/28/589882928.db2.gz XWPVSBRZDONNPW-GFCCVEGCSA-N 2 0 224.348 1.369 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000872145593 589884074 /nfs/dbraw/zinc/88/40/74/589884074.db2.gz UKWHOJBUVFEMTP-WRWGMCAJSA-N 2 0 212.337 1.271 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000872144664 589884202 /nfs/dbraw/zinc/88/42/02/589884202.db2.gz IHPLYBZIBPWUHA-YNEHKIRRSA-N 2 0 238.375 1.805 20 0 BDADRP C[NH2+]CCC[N@@H+]1CC[C@H](c2nc(C)cs2)C1 ZINC000872149400 589885079 /nfs/dbraw/zinc/88/50/79/589885079.db2.gz VTGPUIWYBHMXGN-NSHDSACASA-N 2 0 239.388 1.850 20 0 BDADRP [NH3+]CCN1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872157554 589886230 /nfs/dbraw/zinc/88/62/30/589886230.db2.gz PPCXTHRXTKRYHE-OCCSQVGLSA-N 2 0 239.407 1.565 20 0 BDADRP C[NH2+]CCC[N@H+](C)C1(COC)CCC1 ZINC000872157063 589886250 /nfs/dbraw/zinc/88/62/50/589886250.db2.gz HQFGDWPUBGWTHL-UHFFFAOYSA-N 2 0 200.326 1.097 20 0 BDADRP CN1CCC[C@H]([N@H+](C)CCCCCC[NH3+])C1=O ZINC000872155168 589886396 /nfs/dbraw/zinc/88/63/96/589886396.db2.gz FFDABXSYODXXPX-LBPRGKRZSA-N 2 0 241.379 1.058 20 0 BDADRP CN(CC1C[NH+](C)C1)c1cc[nH+]cc1C1CC1 ZINC000872598869 589955431 /nfs/dbraw/zinc/95/54/31/589955431.db2.gz YCHSXQKNJVXQJP-UHFFFAOYSA-N 2 0 231.343 1.957 20 0 BDADRP C[N@H+](CCC1OCCO1)C[C@@H]1CCC[NH+](C)C1 ZINC000124399665 589984019 /nfs/dbraw/zinc/98/40/19/589984019.db2.gz KKHRNAOCDLYJFV-GFCCVEGCSA-N 2 0 242.363 1.023 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000873210941 589994916 /nfs/dbraw/zinc/99/49/16/589994916.db2.gz SVEOLWHPAFPVQE-SECBINFHSA-N 3 0 239.388 1.078 20 0 BDADRP CC(C)[C@@H](C[NH3+])C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000873209597 589995221 /nfs/dbraw/zinc/99/52/21/589995221.db2.gz PVYMHAPSUGYIPZ-UONOGXRCSA-N 3 0 239.407 1.293 20 0 BDADRP [NH3+][C@@H]1C[C@H]1c1ccc(N[C@H]2CCC[NH2+]C2)cc1 ZINC000873214859 589998016 /nfs/dbraw/zinc/99/80/16/589998016.db2.gz LCDXXGUQTFIYHW-MELADBBJSA-N 2 0 231.343 1.665 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873220735 589998493 /nfs/dbraw/zinc/99/84/93/589998493.db2.gz SFUUPFBQBZVTCV-YRGRVCCFSA-N 3 0 239.407 1.495 20 0 BDADRP C[C@@H]([NH2+]Cc1cnc(N)s1)C1CC[NH2+]CC1 ZINC000873220798 589998506 /nfs/dbraw/zinc/99/85/06/589998506.db2.gz UHUBVMXUBTUGOW-MRVPVSSYSA-N 2 0 240.376 1.203 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000873218051 589998672 /nfs/dbraw/zinc/99/86/72/589998672.db2.gz XVPFTYOBFVHPPM-XNBXPENISA-N 2 0 238.375 1.373 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873220712 589998800 /nfs/dbraw/zinc/99/88/00/589998800.db2.gz SFUUPFBQBZVTCV-DYEKYZERSA-N 3 0 239.407 1.495 20 0 BDADRP C[C@@]1(C[N@@H+]2C[C@H](O)CC(C)(C)C2)CC[NH2+]C1 ZINC000873218959 589999020 /nfs/dbraw/zinc/99/90/20/589999020.db2.gz BDXRXYNIDURMTA-DGCLKSJQSA-N 2 0 226.364 1.079 20 0 BDADRP C[N@@H+]1CC[C@H]2CN(Cc3ccc(N)nc3)CC[C@@H]21 ZINC000873222047 589999581 /nfs/dbraw/zinc/99/95/81/589999581.db2.gz XZYPOYGYTXUWGE-STQMWFEESA-N 2 0 246.358 1.190 20 0 BDADRP CC(C)(C)[C@]1(C[NH3+])CCN(CC2(C[NH3+])CC2)C1 ZINC000873223109 589999809 /nfs/dbraw/zinc/99/98/09/589999809.db2.gz HWNJSWOMCGCWQO-AWEZNQCLSA-N 3 0 239.407 1.422 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[N@H+](C)CCCCCC[NH3+] ZINC000873231620 590002550 /nfs/dbraw/zinc/00/25/50/590002550.db2.gz SQKONVOMLVTHRG-CYBMUJFWSA-N 3 0 229.412 1.811 20 0 BDADRP CC(C)(C)[NH2+]CCN[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000873231139 590002565 /nfs/dbraw/zinc/00/25/65/590002565.db2.gz IWMRENDLIJKXSL-DGCLKSJQSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)CC[NH2+]1 ZINC000873231855 590003347 /nfs/dbraw/zinc/00/33/47/590003347.db2.gz SAKYRSIBWZCTDL-SYQHCUMBSA-N 3 0 237.391 1.249 20 0 BDADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873249847 590007325 /nfs/dbraw/zinc/00/73/25/590007325.db2.gz MUXBTGFGENATCX-SPWCGHHHSA-N 3 0 247.386 1.272 20 0 BDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873249831 590007725 /nfs/dbraw/zinc/00/77/25/590007725.db2.gz MUIPFVIDHVNCOQ-YIYPIFLZSA-N 3 0 239.407 1.624 20 0 BDADRP COCC1CCC([NH2+]C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000873250009 590007856 /nfs/dbraw/zinc/00/78/56/590007856.db2.gz ONMZWAZQMJAITE-UNTZMWQOSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@@H](CC1CCOCC1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873254471 590010097 /nfs/dbraw/zinc/01/00/97/590010097.db2.gz UMWMOSRFSMDNTM-WCFLWFBJSA-N 2 0 226.364 1.519 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C1 ZINC000873255843 590010573 /nfs/dbraw/zinc/01/05/73/590010573.db2.gz IUJHXAGNMZQQHD-KKOKHZNYSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(F)cn1 ZINC000873255706 590010974 /nfs/dbraw/zinc/01/09/74/590010974.db2.gz IKWWDNKJBKHMBP-FXPVBKGRSA-N 2 0 223.295 1.609 20 0 BDADRP C[C@@H](CCc1ccco1)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873257028 590011674 /nfs/dbraw/zinc/01/16/74/590011674.db2.gz DBGQEXLRSKWVTC-SRVKXCTJSA-N 2 0 222.332 1.928 20 0 BDADRP COCCC[C@@H](C)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873257634 590012273 /nfs/dbraw/zinc/01/22/73/590012273.db2.gz UQPNOOAPQHLDRV-GMTAPVOTSA-N 2 0 200.326 1.128 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCO1 ZINC000873265157 590014645 /nfs/dbraw/zinc/01/46/45/590014645.db2.gz UQHXMVCSYHUDCQ-PDWCTOEPSA-N 2 0 238.375 1.674 20 0 BDADRP CC[C@H]([NH2+][C@H](C)C1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000873269095 590015400 /nfs/dbraw/zinc/01/54/00/590015400.db2.gz CNOHMTJGEGMPQF-XBFCOCLRSA-N 3 0 239.407 1.495 20 0 BDADRP C[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H]1C)C1CC[NH2+]CC1 ZINC000873268929 590015684 /nfs/dbraw/zinc/01/56/84/590015684.db2.gz AZKOAMVTIMPBQM-PRULPYPASA-N 2 0 226.364 1.530 20 0 BDADRP CC[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000873269094 590015692 /nfs/dbraw/zinc/01/56/92/590015692.db2.gz CNOHMTJGEGMPQF-BNOWGMLFSA-N 3 0 239.407 1.495 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000873268557 590015772 /nfs/dbraw/zinc/01/57/72/590015772.db2.gz XAIICRCUICEIGE-OUCADQQQSA-N 2 0 239.407 1.447 20 0 BDADRP CC1(C)CO[C@H](C[NH2+][C@H]2CCC[C@@H]2[NH3+])C1 ZINC000873281562 590018065 /nfs/dbraw/zinc/01/80/65/590018065.db2.gz LIQHIWJNLOFYQC-DCAQKATOSA-N 2 0 212.337 1.271 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCC[C@H]2CCOC2=O)C1 ZINC000873283625 590019314 /nfs/dbraw/zinc/01/93/14/590019314.db2.gz YKYPPBXFFLCUBB-QJPTWQEYSA-N 2 0 240.347 1.189 20 0 BDADRP Nc1cc(F)cc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000873290107 590022975 /nfs/dbraw/zinc/02/29/75/590022975.db2.gz OCGAIZVAZZFWEP-DGCLKSJQSA-N 2 0 237.322 1.767 20 0 BDADRP C[C@@H]1CC[C@@H](NC(=O)c2cccc(C[NH3+])c2)C[NH2+]1 ZINC000877052207 590274975 /nfs/dbraw/zinc/27/49/75/590274975.db2.gz QGHHCRZUFLRLRG-ZWNOBZJWSA-N 2 0 247.342 1.016 20 0 BDADRP C[C@H]([NH3+])CN(C)C(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000877104061 590284355 /nfs/dbraw/zinc/28/43/55/590284355.db2.gz AUNVUGNVWNZWTP-UWVGGRQHSA-N 2 0 235.331 1.126 20 0 BDADRP CC[NH2+]CC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877133453 590290892 /nfs/dbraw/zinc/29/08/92/590290892.db2.gz BJHBWRKHHVSAIL-NWDGAFQWSA-N 2 0 233.315 1.049 20 0 BDADRP C[NH2+]CCCC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877133710 590291123 /nfs/dbraw/zinc/29/11/23/590291123.db2.gz HNNINZKDFNCCTN-QWHCGFSZSA-N 2 0 247.342 1.439 20 0 BDADRP CC[NH2+][C@H](C)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877138466 590291725 /nfs/dbraw/zinc/29/17/25/590291725.db2.gz JDLOEDORLDXMNZ-JIMOISOXSA-N 2 0 247.342 1.438 20 0 BDADRP CN(CCCCCC[NH3+])C(=O)C[C@H]1CCC[NH2+]1 ZINC000877443086 590329146 /nfs/dbraw/zinc/32/91/46/590329146.db2.gz CBPFECJBQZSRJF-GFCCVEGCSA-N 2 0 241.379 1.106 20 0 BDADRP CC(C)C[C@H]([NH3+])C(=O)N(C)CCCCCC[NH3+] ZINC000877445616 590329164 /nfs/dbraw/zinc/32/91/64/590329164.db2.gz UYZCUGSUQIYDBY-LBPRGKRZSA-N 2 0 243.395 1.337 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](CC3(C)CC3)CC[C@H]21 ZINC000877738229 590404313 /nfs/dbraw/zinc/40/43/13/590404313.db2.gz ASHHRMGHGYPETP-VXGBXAGGSA-N 2 0 208.349 1.813 20 0 BDADRP C=C/C=C/CC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000878865978 590634800 /nfs/dbraw/zinc/63/48/00/590634800.db2.gz OSXLYAWUFTWRAE-GJBLVYBDSA-N 2 0 238.375 1.507 20 0 BDADRP CC[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1)OC ZINC000879581297 590802106 /nfs/dbraw/zinc/80/21/06/590802106.db2.gz XULYMWANUNYLQU-YNEHKIRRSA-N 2 0 226.364 1.437 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](CC3(O)CCCC3)CC[C@H]21 ZINC000879573335 590811423 /nfs/dbraw/zinc/81/14/23/590811423.db2.gz NSZRPQUCIBEIKW-CHWSQXEVSA-N 2 0 238.375 1.318 20 0 BDADRP C[NH+]1CCN(C2CC[NH+](CCCF)CC2)CC1 ZINC000879593047 590824050 /nfs/dbraw/zinc/82/40/50/590824050.db2.gz UAXQAZAZZFQOOW-UHFFFAOYSA-N 2 0 243.370 1.058 20 0 BDADRP CC(C)OCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C ZINC000880131233 590932044 /nfs/dbraw/zinc/93/20/44/590932044.db2.gz RZICWTNAWFOHAK-STQMWFEESA-N 2 0 226.364 1.580 20 0 BDADRP C[N@@H+]1CCC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC000880131855 590934208 /nfs/dbraw/zinc/93/42/08/590934208.db2.gz KASMABALDIFZNC-KGLIPLIRSA-N 2 0 231.343 1.750 20 0 BDADRP CO[C@H](C)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880260025 590979770 /nfs/dbraw/zinc/97/97/70/590979770.db2.gz MJQUFRYTHVBLOG-CHWSQXEVSA-N 2 0 249.358 1.627 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@H](CF)C1 ZINC000880297216 590991091 /nfs/dbraw/zinc/99/10/91/590991091.db2.gz KXMIQQDFWBVRRX-NEPJUHHUSA-N 2 0 214.328 1.762 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](CF)C1 ZINC000880297219 590991209 /nfs/dbraw/zinc/99/12/09/590991209.db2.gz KXMIQQDFWBVRRX-RYUDHWBXSA-N 2 0 214.328 1.762 20 0 BDADRP Cn1cncc1CCC[N@@H+]1CC[C@@H](CF)C1 ZINC000880299754 590995685 /nfs/dbraw/zinc/99/56/85/590995685.db2.gz LBPDOGBHQSJSRZ-NSHDSACASA-N 2 0 225.311 1.644 20 0 BDADRP CC(C)[C@@H](O)C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880473498 591053449 /nfs/dbraw/zinc/05/34/49/591053449.db2.gz GILVPXVFBYZVBF-ZDUSSCGKSA-N 2 0 240.391 1.564 20 0 BDADRP CC[C@H](O)C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000880516876 591083412 /nfs/dbraw/zinc/08/34/12/591083412.db2.gz BPYUHBJJWPUGQN-AWEZNQCLSA-N 2 0 242.407 1.955 20 0 BDADRP Cc1ncnc(NC[C@@H]2CC[N@@H+](C)C2)c1C ZINC000881916121 591277994 /nfs/dbraw/zinc/27/79/94/591277994.db2.gz VNORVVYKDJRYOQ-NSHDSACASA-N 2 0 220.320 1.457 20 0 BDADRP Cc1ncnc(NC[C@H](C)[N@H+](C)C2CC2)c1C ZINC000881911144 591278067 /nfs/dbraw/zinc/27/80/67/591278067.db2.gz CHDBFDWEVCJWSC-VIFPVBQESA-N 2 0 234.347 1.988 20 0 BDADRP CCN1CC[C@@H]1C[NH2+][C@@H](C)CC1CCOCC1 ZINC000883355882 591626393 /nfs/dbraw/zinc/62/63/93/591626393.db2.gz ZNEUVSFWKMLGPY-GXTWGEPZSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]1C[C@H](N(C)C[C@@H]2C[C@H](F)C[NH2+]2)CC[N@@H+]1C ZINC000883424545 591658893 /nfs/dbraw/zinc/65/88/93/591658893.db2.gz WHICXNDDBJOJEA-ZDEQEGDKSA-N 2 0 243.370 1.101 20 0 BDADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883424470 591659318 /nfs/dbraw/zinc/65/93/18/591659318.db2.gz UDLRGYWNHIEXRF-HNMFLPSRSA-N 2 0 241.354 1.031 20 0 BDADRP [NH3+]C[C@@H](NC[C@@H]1C[C@H](F)C[NH2+]1)C1CCCCC1 ZINC000883429796 591660859 /nfs/dbraw/zinc/66/08/59/591660859.db2.gz FJZRCRYSWRKMRF-RWMBFGLXSA-N 2 0 243.370 1.184 20 0 BDADRP C[N@H+](CC[C@@H]1CCCC1(F)F)C[C@@H](O)C[NH3+] ZINC000883430106 591661365 /nfs/dbraw/zinc/66/13/65/591661365.db2.gz NHOZWILPWWWEAR-UWVGGRQHSA-N 2 0 236.306 1.063 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000883434159 591663686 /nfs/dbraw/zinc/66/36/86/591663686.db2.gz IOZMATXKECZODW-JHJVBQTASA-N 2 0 238.375 1.948 20 0 BDADRP C[C@H]1CCCN(C[C@@H]2C[C@H](F)C[NH2+]2)[C@H]1CC[NH3+] ZINC000883435260 591665954 /nfs/dbraw/zinc/66/59/54/591665954.db2.gz NPHBDZUJHRVWCK-CYDGBPFRSA-N 2 0 243.370 1.136 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCCCCCC[NH3+] ZINC000883441939 591669496 /nfs/dbraw/zinc/66/94/96/591669496.db2.gz ASMAGEYKGGXDTN-NEPJUHHUSA-N 3 0 227.396 1.611 20 0 BDADRP CN(C[C@H]1CC[NH2+]C1)C1(C[NH3+])CCCCC1 ZINC000883452855 591672975 /nfs/dbraw/zinc/67/29/75/591672975.db2.gz GBUANFWYGYAEEI-LBPRGKRZSA-N 2 0 225.380 1.189 20 0 BDADRP Nc1cccc(C[N@@H+]2CC[NH2+]CCC23CCC3)c1 ZINC000883458913 591673730 /nfs/dbraw/zinc/67/37/30/591673730.db2.gz BDXJRACVEYNBFU-UHFFFAOYSA-N 2 0 245.370 1.987 20 0 BDADRP CC1(C)Nc2ccccc2[C@H]1[NH2+]CCOCC[NH3+] ZINC000883464099 591675593 /nfs/dbraw/zinc/67/55/93/591675593.db2.gz FOORSHVNHBEMNC-CYBMUJFWSA-N 2 0 249.358 1.497 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]C2CCOCC2)c2ccccc21 ZINC000131982340 591682140 /nfs/dbraw/zinc/68/21/40/591682140.db2.gz DLOPNMXUBUBJRR-ZIAGYGMSSA-N 2 0 232.327 1.900 20 0 BDADRP C[C@H](CN[C@H]1C[C@H]([NH3+])c2ccccc21)[NH+](C)C ZINC000132033163 591684539 /nfs/dbraw/zinc/68/45/39/591684539.db2.gz MSRNGOLBJHWBGG-SWHYSGLUSA-N 2 0 233.359 1.671 20 0 BDADRP C[NH2+][C@@H](CC(C)C)C(=O)NCCC[NH2+]C(C)C ZINC000884025773 591806760 /nfs/dbraw/zinc/80/67/60/591806760.db2.gz HMKASNNVNBIEHS-LBPRGKRZSA-N 2 0 243.395 1.125 20 0 BDADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000884032604 591815969 /nfs/dbraw/zinc/81/59/69/591815969.db2.gz XGSLNNOCPSUTAG-RYUDHWBXSA-N 2 0 243.395 1.110 20 0 BDADRP CC[NH2+][C@H](C)CNC(=O)C(C)(C)[C@@H]([NH3+])C(C)C ZINC000884275274 591890595 /nfs/dbraw/zinc/89/05/95/591890595.db2.gz HRITVUHWKIJDQR-MNOVXSKESA-N 2 0 243.395 1.110 20 0 BDADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000884371918 591919149 /nfs/dbraw/zinc/91/91/49/591919149.db2.gz BRBSKTCCPMHNGI-AXFHLTTASA-N 2 0 243.395 1.238 20 0 BDADRP C[C@@H](O)C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886487804 592235196 /nfs/dbraw/zinc/23/51/96/592235196.db2.gz VYMUXGHQYJAQHB-IYXRBSQSSA-N 2 0 240.391 1.754 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886568395 592261415 /nfs/dbraw/zinc/26/14/15/592261415.db2.gz IYRJDOJRICESRI-XQQFMLRXSA-N 2 0 240.416 1.766 20 0 BDADRP CCC1([NH+]2CCC2)CC[NH+](CCCOC)CC1 ZINC000886709152 592308753 /nfs/dbraw/zinc/30/87/53/592308753.db2.gz LNILVPUVGSAUMO-UHFFFAOYSA-N 2 0 240.391 1.973 20 0 BDADRP C1CSC[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000220672260 592321741 /nfs/dbraw/zinc/32/17/41/592321741.db2.gz KAAREGDEPKFPJD-GHMZBOCLSA-N 2 0 214.378 1.614 20 0 BDADRP C[N@H+](C[C@H]1C[C@]12CCOC2)CC(C)(C)C[NH3+] ZINC000886830910 592354031 /nfs/dbraw/zinc/35/40/31/592354031.db2.gz ZPZQLSBVGLWRSO-YPMHNXCESA-N 2 0 226.364 1.330 20 0 BDADRP CC1([NH3+])CC[NH+](C[C@H]2C[C@]23CCOC3)CC1 ZINC000886834812 592357195 /nfs/dbraw/zinc/35/71/95/592357195.db2.gz CZUHZJVBUHJGJU-YPMHNXCESA-N 2 0 224.348 1.226 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2C[C@@]23CCOC3)C[C@H]1C[NH3+] ZINC000886840345 592360137 /nfs/dbraw/zinc/36/01/37/592360137.db2.gz ZMGWDPQWFMAMKV-YIYPIFLZSA-N 2 0 238.375 1.330 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886859838 592372897 /nfs/dbraw/zinc/37/28/97/592372897.db2.gz HDGVUBVSASBEGR-KBPBESRZSA-N 2 0 238.375 1.487 20 0 BDADRP COCC[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886867512 592375958 /nfs/dbraw/zinc/37/59/58/592375958.db2.gz GZQCHEINZCUZBU-GFCCVEGCSA-N 2 0 212.337 1.098 20 0 BDADRP COC[C@H](C)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886872479 592377819 /nfs/dbraw/zinc/37/78/19/592377819.db2.gz SYQZLIMOVJOACB-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP COCC[C@H](C)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886872232 592377867 /nfs/dbraw/zinc/37/78/67/592377867.db2.gz NDRCXIIROMPVGA-UONOGXRCSA-N 2 0 240.391 1.877 20 0 BDADRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])NCC2CC2)C1 ZINC000887351387 592485275 /nfs/dbraw/zinc/48/52/75/592485275.db2.gz NXHGNGNJHWMQAQ-GFCCVEGCSA-N 2 0 238.379 1.242 20 0 BDADRP C[C@H](CNC(=[NH2+])NCC(F)F)[NH+]1CCCCC1 ZINC000887351664 592486334 /nfs/dbraw/zinc/48/63/34/592486334.db2.gz WTOUSVVHYPOBBY-SECBINFHSA-N 2 0 248.321 1.240 20 0 BDADRP CC1(C)CCC[N@@H+]1CCNC(=[NH2+])NCC(F)F ZINC000887361841 592491330 /nfs/dbraw/zinc/49/13/30/592491330.db2.gz LBPHTEGPQKGCSG-UHFFFAOYSA-N 2 0 248.321 1.240 20 0 BDADRP CS[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000300386902 592510377 /nfs/dbraw/zinc/51/03/77/592510377.db2.gz MALQGEAISUPWEJ-NNYUYHANSA-N 2 0 228.405 1.988 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@H](O)CC(C)C)CC1 ZINC000222936141 592511194 /nfs/dbraw/zinc/51/11/94/592511194.db2.gz FTIXRRWKTOPEBW-CQSZACIVSA-N 2 0 242.407 1.857 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)C12CCC2 ZINC000925705143 634386113 /nfs/dbraw/zinc/38/61/13/634386113.db2.gz HYQXUUQFIJNNKL-XQQFMLRXSA-N 3 0 237.391 1.378 20 0 BDADRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ncc[nH]1 ZINC000925705967 634387490 /nfs/dbraw/zinc/38/74/90/634387490.db2.gz JNVLOVIFQIEKLN-UWVGGRQHSA-N 2 0 220.320 1.202 20 0 BDADRP C1CC2(C1)C[C@@H](N[C@@H]1CC[NH2+]C13CCC3)CC[NH2+]2 ZINC000925707298 634394588 /nfs/dbraw/zinc/39/45/88/634394588.db2.gz OZISKGAAFSVMID-QWHCGFSZSA-N 2 0 249.402 1.535 20 0 BDADRP CO[C@@H]1C[N@H+](CCC[NH2+]C2CC2)CC[C@H]1C ZINC000299917034 634403038 /nfs/dbraw/zinc/40/30/38/634403038.db2.gz SYHNHFWALCQIQR-DGCLKSJQSA-N 2 0 226.364 1.485 20 0 BDADRP Cc1cc(N)cc(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925710579 634407750 /nfs/dbraw/zinc/40/77/50/634407750.db2.gz QGFBPYNQNPATPF-KGLIPLIRSA-N 2 0 245.370 1.937 20 0 BDADRP CC1(C)C[C@]1(C)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925710859 634408848 /nfs/dbraw/zinc/40/88/48/634408848.db2.gz XZIZFAIXBQDZRO-LEWPZCLHSA-N 2 0 220.360 1.761 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000925714457 634428061 /nfs/dbraw/zinc/42/80/61/634428061.db2.gz YTWSDSOZSBRGMJ-VEGXAWMVSA-N 2 0 238.375 1.802 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CO1 ZINC000925714590 634429947 /nfs/dbraw/zinc/42/99/47/634429947.db2.gz ZZUAJUZIABPXSV-RHYQMDGZSA-N 2 0 226.364 1.659 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@H]2COCC2(C)C)CC1 ZINC000313141461 634454957 /nfs/dbraw/zinc/45/49/57/634454957.db2.gz QNUFBAUMATWXMW-LBPRGKRZSA-N 2 0 226.364 1.343 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000925717380 634452728 /nfs/dbraw/zinc/45/27/28/634452728.db2.gz GARFFODFJRYBBY-QSLWVIQJSA-N 2 0 238.375 1.532 20 0 BDADRP C[C@@H]([NH3+])[C@H](N[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000925720621 634459534 /nfs/dbraw/zinc/45/95/34/634459534.db2.gz YWYRFVNKMFOMKA-RTXFEEFZSA-N 2 0 219.332 1.026 20 0 BDADRP C[NH+](C)[C@@H]1[C@H]2CN(C[C@@H](O)c3ccccc3)C[C@H]21 ZINC000313554692 634488166 /nfs/dbraw/zinc/48/81/66/634488166.db2.gz ULSQIXBDRHXWPT-BARDWOONSA-N 2 0 246.354 1.212 20 0 BDADRP C([C@H]1CCCCO1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257731721 634485581 /nfs/dbraw/zinc/48/55/81/634485581.db2.gz XHAZDQVFOVRNOO-KGLIPLIRSA-N 2 0 238.375 1.631 20 0 BDADRP C[C@@H](c1cccnc1)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000257750969 634492836 /nfs/dbraw/zinc/49/28/36/634492836.db2.gz UVSBBTGEYYVIHD-NWDGAFQWSA-N 2 0 219.332 1.813 20 0 BDADRP C[NH+](C)[C@@H]1[C@H]2CN(C[C@H](O)c3ccccc3)C[C@H]21 ZINC000313554694 634488617 /nfs/dbraw/zinc/48/86/17/634488617.db2.gz ULSQIXBDRHXWPT-LJISPDSOSA-N 2 0 246.354 1.212 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000925724518 634495154 /nfs/dbraw/zinc/49/51/54/634495154.db2.gz ZJLZTADSPQETIW-WDEREUQCSA-N 2 0 223.364 1.001 20 0 BDADRP CN(CC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)CC(F)F ZINC000925725229 634509211 /nfs/dbraw/zinc/50/92/11/634509211.db2.gz RWYVBNCDAOJDSX-VHSXEESVSA-N 2 0 247.333 1.043 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CC2CC([NH3+])C2)C1 ZINC000925730670 634557912 /nfs/dbraw/zinc/55/79/12/634557912.db2.gz PSXAHKMXWLBDQJ-QQFIATSDSA-N 3 0 225.380 1.219 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CC[N@H+](C)C1 ZINC000093516017 634559970 /nfs/dbraw/zinc/55/99/70/634559970.db2.gz CZBHCOBYFQXUSM-HZSPNIEDSA-N 2 0 239.407 1.591 20 0 BDADRP C1=C[C@@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925732233 634570339 /nfs/dbraw/zinc/57/03/39/634570339.db2.gz PDNCZBQZRILBGK-VXGBXAGGSA-N 2 0 206.333 1.827 20 0 BDADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[NH3+])C1CCOCC1 ZINC000259083852 635241752 /nfs/dbraw/zinc/24/17/52/635241752.db2.gz RHZJZTDIBOJHRM-CHWSQXEVSA-N 2 0 240.391 1.909 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CC[C@H]2C[C@H]21 ZINC000925805789 635359661 /nfs/dbraw/zinc/35/96/61/635359661.db2.gz VXGHHLHCOQCSMM-NWBUJAPZSA-N 2 0 208.349 1.892 20 0 BDADRP CC(C)[N@H+](C)CCNC(=O)c1cccc(C[NH3+])c1 ZINC000054110891 635393799 /nfs/dbraw/zinc/39/37/99/635393799.db2.gz NJAZNJGRFVELSD-UHFFFAOYSA-N 2 0 249.358 1.215 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000925829064 635458788 /nfs/dbraw/zinc/45/87/88/635458788.db2.gz ALCDJYXPBZXELA-OFTGVCEQSA-N 2 0 224.348 1.293 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000925829065 635459732 /nfs/dbraw/zinc/45/97/32/635459732.db2.gz ALCDJYXPBZXELA-SJHCENCUSA-N 2 0 224.348 1.293 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)[C@H](C)O1 ZINC000925841806 635505725 /nfs/dbraw/zinc/50/57/25/635505725.db2.gz SWPHYNABLDVINQ-MBJXGIAVSA-N 2 0 238.375 1.674 20 0 BDADRP CCO[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000233781704 635543031 /nfs/dbraw/zinc/54/30/31/635543031.db2.gz HAGJFAPKIIXKGO-AGIUHOORSA-N 2 0 226.364 1.343 20 0 BDADRP COC[C@@H](C[NH2+][C@@H]1CCC[NH2+]CC1)C(C)C ZINC000925873673 635592729 /nfs/dbraw/zinc/59/27/29/635592729.db2.gz MKGIOHGYUZOLPG-CHWSQXEVSA-N 2 0 228.380 1.637 20 0 BDADRP COC[C@@H](C[NH2+]C1CCC([NH3+])CC1)C(C)C ZINC000925874387 635596313 /nfs/dbraw/zinc/59/63/13/635596313.db2.gz RJVLJVRIPRRXSX-PNESKVBLSA-N 2 0 228.380 1.765 20 0 BDADRP Cc1ccc(NCC[NH2+][C@H]2CCC[NH2+]CC2)nc1 ZINC000925877684 635601657 /nfs/dbraw/zinc/60/16/57/635601657.db2.gz LZGSXDOSGXRNRM-ZDUSSCGKSA-N 2 0 248.374 1.534 20 0 BDADRP c1ccc2c(c1)CC[C@@H]2[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090319961 631246190 /nfs/dbraw/zinc/24/61/90/631246190.db2.gz PDMSULQHSGZRPK-GUTXKFCHSA-N 2 0 228.339 1.825 20 0 BDADRP C[C@@H](c1ccccc1)[NH+]1CCN(CCC[NH3+])CC1 ZINC000078626733 631344469 /nfs/dbraw/zinc/34/44/69/631344469.db2.gz MNSGBXAKNDLFPR-AWEZNQCLSA-N 2 0 247.386 1.714 20 0 BDADRP Cc1noc(C[N@@H+](C)C2CCC([NH3+])CC2)n1 ZINC000085869890 631464446 /nfs/dbraw/zinc/46/44/46/631464446.db2.gz PECIBGOMANAYHI-UHFFFAOYSA-N 2 0 224.308 1.080 20 0 BDADRP C[C@@H]1COC[C@@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000926309795 631583391 /nfs/dbraw/zinc/58/33/91/631583391.db2.gz RVZDXWJXXXWEGT-RISCZKNCSA-N 2 0 238.375 1.485 20 0 BDADRP CCC[N@@H+]1CC[C@H](CNc2nc(N)cc(C)[nH+]2)C1 ZINC000891967732 631652909 /nfs/dbraw/zinc/65/29/09/631652909.db2.gz QQNSIIKOFWRDHR-LLVKDONJSA-N 2 0 249.362 1.511 20 0 BDADRP COC[C@@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000234704073 631665921 /nfs/dbraw/zinc/66/59/21/631665921.db2.gz VTJRIAQGNDUQJL-QWHCGFSZSA-N 2 0 226.364 1.344 20 0 BDADRP CO[C@@H]1CC[C@H]1[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000934124118 631703267 /nfs/dbraw/zinc/70/32/67/631703267.db2.gz NFULXJBNGKAMMS-MGPQQGTHSA-N 2 0 240.391 1.970 20 0 BDADRP [NH3+]C1(C[NH2+]CCc2cccs2)CCC1 ZINC000309004720 631798920 /nfs/dbraw/zinc/79/89/20/631798920.db2.gz PIZANTGTJBKSJY-UHFFFAOYSA-N 2 0 210.346 1.762 20 0 BDADRP CC[C@@H](C)C[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000309056708 631833106 /nfs/dbraw/zinc/83/31/06/631833106.db2.gz ZMYCQXJMJYRZQZ-CHWSQXEVSA-N 2 0 228.380 1.421 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@H]1CCC=CO1 ZINC000050269606 631971873 /nfs/dbraw/zinc/97/18/73/631971873.db2.gz GHWLILQMMOOWET-VXGBXAGGSA-N 2 0 212.337 1.609 20 0 BDADRP CC(C)NC(=[NH2+])NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000052043288 632053026 /nfs/dbraw/zinc/05/30/26/632053026.db2.gz BRMMYIOLYZFGLD-LLVKDONJSA-N 2 0 226.368 1.239 20 0 BDADRP CCCC[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000309447725 632099794 /nfs/dbraw/zinc/09/97/94/632099794.db2.gz KFUKRPWUXSSQNT-UHFFFAOYSA-N 2 0 227.396 1.404 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227541437 632429295 /nfs/dbraw/zinc/42/92/95/632429295.db2.gz KFRXGCVVRHRXAS-MCIONIFRSA-N 2 0 234.343 1.882 20 0 BDADRP C[C@H]([NH2+][C@H]1C[C@@H](O)C1)c1cccc(C[NH+](C)C)c1 ZINC000926552678 632491003 /nfs/dbraw/zinc/49/10/03/632491003.db2.gz XBHPCYRIAQZWSA-TUKIKUTGSA-N 2 0 248.370 1.922 20 0 BDADRP CC[N@H+](C[C@H]1CCCO1)C[C@@]1(C)CCC[NH2+]C1 ZINC000219760312 632568292 /nfs/dbraw/zinc/56/82/92/632568292.db2.gz RPHNSGDJAUULST-KGLIPLIRSA-N 2 0 240.391 1.877 20 0 BDADRP CCC[C@@H](C)[N@H+](C)C[C@@H](O)CN1CCCC1 ZINC000309056085 632629735 /nfs/dbraw/zinc/62/97/35/632629735.db2.gz BKHSZXGZPGVZHT-CHWSQXEVSA-N 2 0 228.380 1.564 20 0 BDADRP CSC1(C[NH2+][C@H](C)CCO)CC[NH+](C)CC1 ZINC000309901783 632679074 /nfs/dbraw/zinc/67/90/74/632679074.db2.gz IAESANCSRWTZQO-LLVKDONJSA-N 2 0 246.420 1.174 20 0 BDADRP CC(=O)OC[C@@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000892461961 632731535 /nfs/dbraw/zinc/73/15/35/632731535.db2.gz LLIUETIKNVKYGA-GFCCVEGCSA-N 2 0 242.363 1.404 20 0 BDADRP C[C@@]1(C[NH3+])CC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000235438751 632735909 /nfs/dbraw/zinc/73/59/09/632735909.db2.gz PCDQAZNZUQFFBE-RYUDHWBXSA-N 2 0 212.337 1.226 20 0 BDADRP Cc1ccc(O)c(C[NH2+]C2CCC([NH3+])CC2)n1 ZINC000091995274 632772569 /nfs/dbraw/zinc/77/25/69/632772569.db2.gz XSNZWQLEGWXURT-UHFFFAOYSA-N 2 0 235.331 1.455 20 0 BDADRP C[C@H]1COC[C@H](C)C1[NH2+]CCC[NH+](C)C ZINC000924538844 632779365 /nfs/dbraw/zinc/77/93/65/632779365.db2.gz DCUKWZZMFQPZDC-QWRGUYRKSA-N 2 0 214.353 1.199 20 0 BDADRP C=CCNC(=[NH2+])NC[C@H](C(CC)CC)[NH+](C)C ZINC000066245159 632861592 /nfs/dbraw/zinc/86/15/92/632861592.db2.gz MZISMJWLSNOJEU-GFCCVEGCSA-N 2 0 240.395 1.443 20 0 BDADRP C1=CC[C@@H]2C[N@@H+](CC[C@H]3CC[NH2+]C3)C[C@@H]2C1 ZINC000309495277 633179423 /nfs/dbraw/zinc/17/94/23/633179423.db2.gz JWOHJGDPVZIDQR-MCIONIFRSA-N 2 0 220.360 1.884 20 0 BDADRP C([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)[C@@H]1CCCS1 ZINC000328460460 633764903 /nfs/dbraw/zinc/76/49/03/633764903.db2.gz UHFZPZZTPVNAMU-RJRAAQABSA-N 2 0 238.400 1.468 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328564648 633775573 /nfs/dbraw/zinc/77/55/73/633775573.db2.gz KRMAPPCQACORNU-AAOYHXPRSA-N 2 0 206.333 1.228 20 0 BDADRP CC1(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CCC1 ZINC000328558248 633776960 /nfs/dbraw/zinc/77/69/60/633776960.db2.gz CJXBUEWRIDRQMH-NWBUJAPZSA-N 2 0 220.360 1.763 20 0 BDADRP C[C@H](CCO)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000308918093 633833343 /nfs/dbraw/zinc/83/33/43/633833343.db2.gz BQEZNUJOHWJIQY-LLVKDONJSA-N 2 0 214.353 1.079 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CC[C@H]1CCCO1 ZINC000925536953 633936969 /nfs/dbraw/zinc/93/69/69/633936969.db2.gz UCGJCMWWCJHNOC-MNOVXSKESA-N 2 0 212.337 1.286 20 0 BDADRP [NH3+][C@@H]1C[C@H](N[C@@H]2CC[N@H+](CC3CC3)C2)C12CCC2 ZINC000925555159 634023739 /nfs/dbraw/zinc/02/37/39/634023739.db2.gz FRPPXAHRGHPNDL-MCIONIFRSA-N 2 0 249.402 1.330 20 0 BDADRP CC1(C)C[C@@H]([NH2+]CCOCC2CC2)C[C@@H]([NH3+])C1 ZINC000925559662 634038601 /nfs/dbraw/zinc/03/86/01/634038601.db2.gz ZZJNPRXNNXRRML-OLZOCXBDSA-N 2 0 240.391 1.909 20 0 BDADRP CO[C@@H](C)CC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925565671 634058994 /nfs/dbraw/zinc/05/89/94/634058994.db2.gz WAJYKJMAFGESQB-QNWHQSFQSA-N 2 0 240.391 1.778 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]C1CCC(CO)CC1 ZINC000925612303 634150375 /nfs/dbraw/zinc/15/03/75/634150375.db2.gz RDCSFYWIWDPZGT-MCIGGMRASA-N 2 0 226.364 1.268 20 0 BDADRP CC(C)[C@](C)(O)C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925611103 634151158 /nfs/dbraw/zinc/15/11/58/634151158.db2.gz KGFAEQUROXGYGP-MBNYWOFBSA-N 2 0 242.407 1.889 20 0 BDADRP CC[C@H](CO)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925612471 634151208 /nfs/dbraw/zinc/15/12/08/634151208.db2.gz RUSAAYMNRXITPX-MXWKQRLJSA-N 2 0 214.353 1.253 20 0 BDADRP CC(C)(CCCO)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925614760 634155815 /nfs/dbraw/zinc/15/58/15/634155815.db2.gz KGTVROZRBJROKK-LLVKDONJSA-N 2 0 228.380 1.515 20 0 BDADRP CC(C)(CO)C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925616219 634161094 /nfs/dbraw/zinc/16/10/94/634161094.db2.gz KXNDSEFLDMDDQB-QWRGUYRKSA-N 2 0 228.380 1.501 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2ccccc2O)C12CCC2 ZINC000925616232 634161311 /nfs/dbraw/zinc/16/13/11/634161311.db2.gz LLCUSLYVGIRMFA-KGLIPLIRSA-N 2 0 246.354 1.794 20 0 BDADRP OC[C@H]1CC[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925617193 634165552 /nfs/dbraw/zinc/16/55/52/634165552.db2.gz VUJOJSWPPTVNAQ-AVGNSLFASA-N 2 0 238.375 1.412 20 0 BDADRP CCC[C@@H](CCO)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925620787 634179758 /nfs/dbraw/zinc/17/97/58/634179758.db2.gz BGRVMQXDIARQLH-QWHCGFSZSA-N 2 0 240.391 1.659 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCCC[C@@H]2O)C12CCC2 ZINC000925645023 634198414 /nfs/dbraw/zinc/19/84/14/634198414.db2.gz OYFNWXMBSCAGOF-NNYUYHANSA-N 2 0 224.348 1.149 20 0 BDADRP CC1(C)[C@H](O)C[C@H]1[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925647531 634203921 /nfs/dbraw/zinc/20/39/21/634203921.db2.gz ZMPBHEYYNVTNIR-WRWGMCAJSA-N 2 0 240.391 1.641 20 0 BDADRP Cc1nccnc1CC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925677722 634271730 /nfs/dbraw/zinc/27/17/30/634271730.db2.gz ZLPJSRAKIFABRM-QWHCGFSZSA-N 2 0 246.358 1.187 20 0 BDADRP CCC1([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000925681422 634279931 /nfs/dbraw/zinc/27/99/31/634279931.db2.gz ZHFOADMKXVSLFU-RNWYCLNJSA-N 2 0 206.333 1.515 20 0 BDADRP COCC[C@H](C)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925686900 634299419 /nfs/dbraw/zinc/29/94/19/634299419.db2.gz XKPMUBHPGKYTIT-BSCCGWMCSA-N 2 0 238.375 1.245 20 0 BDADRP CC(C)C[C@H](C[NH3+])N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925693587 634330273 /nfs/dbraw/zinc/33/02/73/634330273.db2.gz PPWVZVVOCBVWHD-GRYCIOLGSA-N 2 0 225.380 1.219 20 0 BDADRP CC1(C)[C@H](NC2CC[NH2+]CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925694500 634334883 /nfs/dbraw/zinc/33/48/83/634334883.db2.gz UUSNHHAIAPWHHN-FRRDWIJNSA-N 2 0 237.391 1.105 20 0 BDADRP C[C@H]([NH3+])CCN[C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925694713 634338705 /nfs/dbraw/zinc/33/87/05/634338705.db2.gz SEIATHMUASPCCF-GMXVVIOVSA-N 2 0 221.348 1.402 20 0 BDADRP C[NH2+][C@H](C)CN[C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925698195 634363020 /nfs/dbraw/zinc/36/30/20/634363020.db2.gz CSVXPZLSMHLLLD-WZRBSPASSA-N 2 0 221.348 1.272 20 0 BDADRP C[C@H]([NH3+])[C@H](N[C@H]1CCC[NH2+][C@H]1C)c1ccccc1 ZINC000925698852 634364405 /nfs/dbraw/zinc/36/44/05/634364405.db2.gz HLJQGWVIBIWXKZ-JURCDPSOSA-N 2 0 247.386 1.805 20 0 BDADRP CCC([NH3+])(CC)CN[C@@H]1CC[NH2+]C12CCC2 ZINC000925699096 634365914 /nfs/dbraw/zinc/36/59/14/634365914.db2.gz MTLARXPZCCAGPG-LLVKDONJSA-N 2 0 225.380 1.378 20 0 BDADRP C[C@H](C[NH3+])CN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925698959 634366276 /nfs/dbraw/zinc/36/62/76/634366276.db2.gz MCCATCNBDCUFAB-OUAUKWLOSA-N 2 0 213.369 1.077 20 0 BDADRP C[NH2+][C@H](C)CN[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925698882 634366318 /nfs/dbraw/zinc/36/63/18/634366318.db2.gz HQZHCDCNFVGEAJ-VWYCJHECSA-N 2 0 213.369 1.090 20 0 BDADRP CC1(C)C[C@@H](NC[C@@H]([NH3+])C2CC2)C[C@@H]([NH3+])C1 ZINC000925699136 634366728 /nfs/dbraw/zinc/36/67/28/634366728.db2.gz NDACVBATHLYOQC-GRYCIOLGSA-N 2 0 225.380 1.219 20 0 BDADRP CC(C)([NH3+])CN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925699360 634367188 /nfs/dbraw/zinc/36/71/88/634367188.db2.gz OHZKAOZUIPMKDV-NXEZZACHSA-N 2 0 213.369 1.219 20 0 BDADRP C[C@H]([NH3+])[C@H](NC[C@@H]([NH3+])C1CC1)c1ccccc1 ZINC000925700010 634368546 /nfs/dbraw/zinc/36/85/46/634368546.db2.gz QXCCXROWOCXKLL-GDLCADMTSA-N 2 0 233.359 1.402 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@@H]1CC[NH2+]C12CCC2 ZINC000925700067 634368557 /nfs/dbraw/zinc/36/85/57/634368557.db2.gz REALUHFXUODCPD-VXGBXAGGSA-N 2 0 225.380 1.378 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000925699632 634369045 /nfs/dbraw/zinc/36/90/45/634369045.db2.gz LJTZWHLLBDHZKI-XJFOESAGSA-N 2 0 240.391 1.779 20 0 BDADRP CC1(C)C[C@@H](NCC2([NH3+])CCC2)C[C@@H]([NH3+])C1 ZINC000925699700 634369438 /nfs/dbraw/zinc/36/94/38/634369438.db2.gz PRHAFMJONIPJFW-MNOVXSKESA-N 2 0 225.380 1.363 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1=CC[NH2+]CC1 ZINC000925700579 634370681 /nfs/dbraw/zinc/37/06/81/634370681.db2.gz UXYFMDOIDCIXHZ-VTXSZYRJSA-N 3 0 235.375 1.012 20 0 BDADRP CN(CCC[NH+]1CCCC1)CC[NH+]1CCCC1 ZINC000162499296 635179474 /nfs/dbraw/zinc/17/94/74/635179474.db2.gz GTBQBWJTGBTNRF-UHFFFAOYSA-N 2 0 239.407 1.500 20 0 BDADRP COCC[C@@H](C)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000336651780 635202394 /nfs/dbraw/zinc/20/23/94/635202394.db2.gz ICMUPJQBVRYTEJ-GFCCVEGCSA-N 2 0 226.364 1.487 20 0 BDADRP CO[C@@H]1[C@H](C)[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)C1(C)C ZINC000925787217 635306234 /nfs/dbraw/zinc/30/62/34/635306234.db2.gz XPHSBXSAMHJWAI-NAWOPXAZSA-N 2 0 240.391 1.491 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ncc[nH]1 ZINC000925796487 635334600 /nfs/dbraw/zinc/33/46/00/635334600.db2.gz RKNHXKZRAKRPPF-GMTAPVOTSA-N 2 0 222.336 1.306 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000925802726 635350861 /nfs/dbraw/zinc/35/08/61/635350861.db2.gz IDZXOOOSRWZRGS-YIYPIFLZSA-N 2 0 240.391 1.779 20 0 BDADRP CC[C@@H]1CCC[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925814915 635382400 /nfs/dbraw/zinc/38/24/00/635382400.db2.gz MYYDTUZQJULZPW-TZMCWYRMSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)CN1C1CC1 ZINC000925874973 635595501 /nfs/dbraw/zinc/59/55/01/635595501.db2.gz ANQJHXAGUFPOFF-RNJOBUHISA-N 2 0 237.391 1.329 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+]CC1CC[NH+](C)CC1 ZINC000054243627 636242686 /nfs/dbraw/zinc/24/26/86/636242686.db2.gz LFLLKFBJKAJPRX-GFCCVEGCSA-N 3 0 227.396 1.258 20 0 BDADRP C[C@@H]1C[C@@H](C[N@H+](C)[C@@H]2CCOC2)CC[NH2+]1 ZINC000235380247 636603057 /nfs/dbraw/zinc/60/30/57/636603057.db2.gz PNJSQFKGUVGQGK-GRYCIOLGSA-N 2 0 212.337 1.095 20 0 BDADRP CC(C)[NH+](CCN[C@@H]1CCC[C@H]1C[NH3+])C(C)C ZINC000089147027 636904186 /nfs/dbraw/zinc/90/41/86/636904186.db2.gz GCSAFBCNJNSLNH-UONOGXRCSA-N 2 0 241.423 1.822 20 0 BDADRP C[C@H](O)C(C)(C)[NH2+]CC1CC[NH+](C)CC1 ZINC000128153349 637010264 /nfs/dbraw/zinc/01/02/64/637010264.db2.gz MRUDJPYPDWQUSL-JTQLQIEISA-N 2 0 214.353 1.077 20 0 BDADRP CCOCCOCC[NH2+]C1CC[NH+](CC)CC1 ZINC000927090096 637027828 /nfs/dbraw/zinc/02/78/28/637027828.db2.gz MOJWPMNSZFNVQL-UHFFFAOYSA-N 2 0 244.379 1.113 20 0 BDADRP CC(C)(C[NH3+])Cn1cc([C@@H]2CCCC[NH2+]2)nn1 ZINC000899718988 637125946 /nfs/dbraw/zinc/12/59/46/637125946.db2.gz MWNTZYFHWWNUCU-JTQLQIEISA-N 2 0 237.351 1.078 20 0 BDADRP C[C@](O)(C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)C1CC1 ZINC000902362716 637299006 /nfs/dbraw/zinc/29/90/06/637299006.db2.gz ZCHAZWDIVPHFTF-OCCSQVGLSA-N 2 0 240.391 1.515 20 0 BDADRP C[C@@](O)(C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)C1CC1 ZINC000902362709 637300837 /nfs/dbraw/zinc/30/08/37/637300837.db2.gz ZCHAZWDIVPHFTF-GXTWGEPZSA-N 2 0 240.391 1.515 20 0 BDADRP C[C@@H](N[C@H]1C[NH2+]CC1(C)C)[C@H]1CCCC[NH2+]1 ZINC000902446466 637306186 /nfs/dbraw/zinc/30/61/86/637306186.db2.gz SYZQCKSPSHCGOX-UTUOFQBUSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@H](N[C@@H]1C[NH2+]CC1(C)C)[C@H]1CCCC[NH2+]1 ZINC000902446451 637306557 /nfs/dbraw/zinc/30/65/57/637306557.db2.gz SYZQCKSPSHCGOX-QJPTWQEYSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)C[C@@H]1CC1(C)C ZINC000903464831 637361760 /nfs/dbraw/zinc/36/17/60/637361760.db2.gz YDFJJOPYCFSIAU-WOPDTQHZSA-N 2 0 210.365 1.820 20 0 BDADRP C[NH2+]C[C@@H]1CCCCN1CCC1CC[NH2+]CC1 ZINC000903528775 637369077 /nfs/dbraw/zinc/36/90/77/637369077.db2.gz VCVRIOXIQFJQKD-AWEZNQCLSA-N 2 0 239.407 1.450 20 0 BDADRP C[NH2+]C[C@@H]1CCCCN1CCCCCCC[NH3+] ZINC000903529217 637369727 /nfs/dbraw/zinc/36/97/27/637369727.db2.gz PNYXUYPORWFVQQ-AWEZNQCLSA-N 3 0 241.423 1.970 20 0 BDADRP C[N@H+](CC1CC1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903723020 637378199 /nfs/dbraw/zinc/37/81/99/637378199.db2.gz RYSHRWGNUOZHNC-QWHCGFSZSA-N 2 0 224.348 1.097 20 0 BDADRP CCC[C@H](C)[N@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903721937 637378276 /nfs/dbraw/zinc/37/82/76/637378276.db2.gz GGZAGHDORCOKFQ-IHRRRGAJSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1cnc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)nc1 ZINC000903788207 637382301 /nfs/dbraw/zinc/38/23/01/637382301.db2.gz FWYBQQFDQBGQAD-NEPJUHHUSA-N 2 0 234.347 1.202 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](Cc2cnn(CCF)c2)C1 ZINC000903788978 637383189 /nfs/dbraw/zinc/38/31/89/637383189.db2.gz SIUCHHSFHZGYNV-NSHDSACASA-N 2 0 240.326 1.023 20 0 BDADRP O[C@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C[C@H]1F ZINC000903841591 637385015 /nfs/dbraw/zinc/38/50/15/637385015.db2.gz YJHJBEJYKIRYSM-OLZOCXBDSA-N 2 0 244.354 1.171 20 0 BDADRP CCc1noc([C@H]2CC[C@@H]([NH2+]CCC[NH3+])C2)n1 ZINC000904428123 637397999 /nfs/dbraw/zinc/39/79/99/637397999.db2.gz DPASUTVFBBINRI-VHSXEESVSA-N 2 0 238.335 1.207 20 0 BDADRP CCO[C@H]1CC[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000904428939 637398287 /nfs/dbraw/zinc/39/82/87/637398287.db2.gz RQAGYPXMKSPNBS-AGIUHOORSA-N 2 0 226.364 1.485 20 0 BDADRP [NH3+]CC1CC([NH2+][C@H]2CCCc3cccnc32)C1 ZINC000904427962 637398981 /nfs/dbraw/zinc/39/89/81/637398981.db2.gz BSNIVWGFVKEBKF-GDKBPFBDSA-N 2 0 231.343 1.786 20 0 BDADRP C[C@@]1(CN2CC[C@@]3(C2)CCCC[NH2+]3)CC[NH2+]C1 ZINC000904431040 637399704 /nfs/dbraw/zinc/39/97/04/637399704.db2.gz WNTJNJLFNOEVPA-ZIAGYGMSSA-N 2 0 237.391 1.204 20 0 BDADRP CC(C)([NH3+])CN1CCC(C(C)(C)C[NH3+])CC1 ZINC000904444994 637415005 /nfs/dbraw/zinc/41/50/05/637415005.db2.gz UUKOUWJDSXISFA-UHFFFAOYSA-N 2 0 227.396 1.421 20 0 BDADRP CC1(C)C[NH2+]C[C@@H]1[NH2+]C[C@H]1CCCOC1 ZINC000904460633 637420597 /nfs/dbraw/zinc/42/05/97/637420597.db2.gz BDHWLMWFYYOTJA-MNOVXSKESA-N 2 0 212.337 1.001 20 0 BDADRP CC1(C)C[NH2+]C[C@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000904460691 637421015 /nfs/dbraw/zinc/42/10/15/637421015.db2.gz BWBDQIRLUSGMML-GHMZBOCLSA-N 2 0 212.337 1.001 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000904917427 637523703 /nfs/dbraw/zinc/52/37/03/637523703.db2.gz LZFCPMRLKHCJCM-WZRBSPASSA-N 2 0 241.379 1.090 20 0 BDADRP CCCN(C(=O)[C@](C)([NH3+])CCC)[C@H]1CC[NH2+]C1 ZINC000904926884 637530981 /nfs/dbraw/zinc/53/09/81/637530981.db2.gz YGRAEDHBUNNJAJ-WCQYABFASA-N 2 0 241.379 1.104 20 0 BDADRP CC1(C)C[NH2+]C[C@@H]1c1nc([C@H]2CCC[NH2+]2)no1 ZINC000905304974 637762652 /nfs/dbraw/zinc/76/26/52/637762652.db2.gz PRGSFUZWKJFNKG-RKDXNWHRSA-N 2 0 236.319 1.207 20 0 BDADRP C[NH2+][C@H](C)Cc1noc(-c2ccccc2C[NH3+])n1 ZINC000905305313 637763121 /nfs/dbraw/zinc/76/31/21/637763121.db2.gz SJFZOCXCSBPNJB-SECBINFHSA-N 2 0 246.314 1.346 20 0 BDADRP C[NH2+][C@@H](CC(C)C)c1nc(C2([NH3+])CCC2)no1 ZINC000905305721 637764811 /nfs/dbraw/zinc/76/48/11/637764811.db2.gz YHDYYDGMIGDPGU-VIFPVBQESA-N 2 0 238.335 1.714 20 0 BDADRP [NH3+]Cc1ccc(-c2noc([C@H]3C[C@H]3C[NH3+])n2)cc1 ZINC000905307877 637766453 /nfs/dbraw/zinc/76/64/53/637766453.db2.gz TXJCBQXVFUEUDV-QWRGUYRKSA-N 2 0 244.298 1.258 20 0 BDADRP CCC[C@@H](C)CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000905423873 637811530 /nfs/dbraw/zinc/81/15/30/637811530.db2.gz XQWYRNXZMSKHRD-KGLIPLIRSA-N 2 0 242.407 1.859 20 0 BDADRP COc1cc(C[NH2+]C2CC([NH3+])C2)cc(OC)c1 ZINC000906507651 638179026 /nfs/dbraw/zinc/17/90/26/638179026.db2.gz BHLVEAQXAMHVSR-UHFFFAOYSA-N 2 0 236.315 1.283 20 0 BDADRP [NH3+]C1CC(NCc2cnc(C3CC3)s2)C1 ZINC000906510043 638182227 /nfs/dbraw/zinc/18/22/27/638182227.db2.gz LLFBYGLMEJMOTD-UHFFFAOYSA-N 2 0 223.345 1.600 20 0 BDADRP Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2C[C@H]([NH3+])C2)o1 ZINC000906517324 638187335 /nfs/dbraw/zinc/18/73/35/638187335.db2.gz MNSHBFZRNZTHOP-XYPYZODXSA-N 2 0 246.314 1.557 20 0 BDADRP CC[C@H](CO)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000930309505 639696098 /nfs/dbraw/zinc/69/60/98/639696098.db2.gz KMBHLYWBLZEBNO-CYBMUJFWSA-N 2 0 240.391 1.565 20 0 BDADRP [NH3+]Cc1cccc(NC(=O)[C@]23CC[C@H]2C[NH2+]C3)c1 ZINC000911649888 639706776 /nfs/dbraw/zinc/70/67/76/639706776.db2.gz WWNIFMQPOFSXTN-FZMZJTMJSA-N 2 0 245.326 1.083 20 0 BDADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000911712740 639739195 /nfs/dbraw/zinc/73/91/95/639739195.db2.gz DCAWRLADWIGDDR-QJPTWQEYSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@H]([NH3+])CCNC(=O)[C@H]([NH3+])C1CCCCCC1 ZINC000911740043 639765952 /nfs/dbraw/zinc/76/59/52/639765952.db2.gz GTSKUPMLWCJOCV-CMPLNLGQSA-N 2 0 241.379 1.138 20 0 BDADRP C[NH2+]CCCCC(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000911829259 639841379 /nfs/dbraw/zinc/84/13/79/639841379.db2.gz IZIJFHMZZBJGEQ-ZDUSSCGKSA-N 2 0 243.395 1.256 20 0 BDADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000911831625 639842634 /nfs/dbraw/zinc/84/26/34/639842634.db2.gz LWIAPPFGFHEDIA-LOWVWBTDSA-N 2 0 243.395 1.240 20 0 BDADRP CCOCCC[N@@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931310988 640147810 /nfs/dbraw/zinc/14/78/10/640147810.db2.gz NEILWTZPHGLHCV-OKILXGFUSA-N 2 0 240.391 1.687 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCCO3)C[C@@H]2C1 ZINC000931431630 640200123 /nfs/dbraw/zinc/20/01/23/640200123.db2.gz CYKITESZBIJWKY-AGIUHOORSA-N 2 0 224.348 1.049 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC000931433401 640202219 /nfs/dbraw/zinc/20/22/19/640202219.db2.gz AUTOTDHZSJEBCK-OLZOCXBDSA-N 2 0 231.343 1.465 20 0 BDADRP C[N@@H+]1CC[C@H]2CN(CC[NH+]3CCCC3)CC[C@H]21 ZINC000931548269 640268125 /nfs/dbraw/zinc/26/81/25/640268125.db2.gz XIRXQWCKUWKYHG-UONOGXRCSA-N 2 0 237.391 1.108 20 0 BDADRP C[N@@H+]1CC[C@@H]2CN(CCOC3CC3)CC[C@H]21 ZINC000931548280 640268375 /nfs/dbraw/zinc/26/83/75/640268375.db2.gz XXXFOQYURXEDJO-DGCLKSJQSA-N 2 0 224.348 1.191 20 0 BDADRP CC[C@@H](CO)[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000931685067 640315641 /nfs/dbraw/zinc/31/56/41/640315641.db2.gz YICZWJQSWCUVPH-STQMWFEESA-N 2 0 249.358 1.363 20 0 BDADRP C[C@@H](C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000931717685 640333811 /nfs/dbraw/zinc/33/38/11/640333811.db2.gz AEMPUVKZSHCTMP-UHTWSYAYSA-N 2 0 208.349 1.953 20 0 BDADRP C[C@@H](O)C[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000164607644 640492986 /nfs/dbraw/zinc/49/29/86/640492986.db2.gz FGHMJZAXEOCMJU-WDEREUQCSA-N 2 0 214.353 1.077 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCCCC[NH2+]1)[C@@H]1CCOC1 ZINC000222848613 640510690 /nfs/dbraw/zinc/51/06/90/640510690.db2.gz SJZCSXXCVTXAQX-YNEHKIRRSA-N 2 0 226.364 1.533 20 0 BDADRP C[NH+](C)C1(CNC(=[NH2+])NC(C)(C)C)CCC1 ZINC000165124576 640540085 /nfs/dbraw/zinc/54/00/85/640540085.db2.gz RWCUZJKIYSNHAA-UHFFFAOYSA-N 2 0 226.368 1.383 20 0 BDADRP C[NH+]1CCC(C[NH2+]CC[C@@H]2CCCCO2)CC1 ZINC000223825721 640588633 /nfs/dbraw/zinc/58/86/33/640588633.db2.gz IAMDTJBYGIIKNP-AWEZNQCLSA-N 2 0 240.391 1.877 20 0 BDADRP C[N@H+](C[C@@H]1CCSC1)C1CCC([NH3+])CC1 ZINC000224618357 640629841 /nfs/dbraw/zinc/62/98/41/640629841.db2.gz BGFOTTVPPLHEOZ-UNXYVOJBSA-N 2 0 228.405 1.941 20 0 BDADRP C1=CO[C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000157452462 640686333 /nfs/dbraw/zinc/68/63/33/640686333.db2.gz SSZWOUTVAVIEGE-MJBXVCDLSA-N 2 0 236.359 1.896 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+]CC1CC[NH+](C)CC1 ZINC000226338494 640750149 /nfs/dbraw/zinc/75/01/49/640750149.db2.gz VLSJHOFCSRLXCE-UHFFFAOYSA-N 3 0 241.423 1.648 20 0 BDADRP CO[C@H]1CC[C@H]([N@@H+]2C[C@@H]3CN(C)C[C@]3(C)C2)C1 ZINC000933734494 640753044 /nfs/dbraw/zinc/75/30/44/640753044.db2.gz UGGXATAVBLLIHV-XDQVBPFNSA-N 2 0 238.375 1.437 20 0 BDADRP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3CCCCO3)C[C@]2(C)C1 ZINC000933741584 640755709 /nfs/dbraw/zinc/75/57/09/640755709.db2.gz XQPGNPKFWUPMJS-RDBSUJKOSA-N 2 0 238.375 1.439 20 0 BDADRP CC[C@H](C)C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933735172 640756681 /nfs/dbraw/zinc/75/66/81/640756681.db2.gz GDAFVMRAMPUTSN-RWMBFGLXSA-N 2 0 210.365 1.916 20 0 BDADRP C[N@@H+]1C[C@@H]2C[NH+](CC[C@@H]3CCOC3)C[C@]2(C)C1 ZINC000933734126 640760857 /nfs/dbraw/zinc/76/08/57/640760857.db2.gz PAPNMZGYYFKOJA-MCIONIFRSA-N 2 0 238.375 1.297 20 0 BDADRP C[C@H](O)C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227536208 640839142 /nfs/dbraw/zinc/83/91/42/640839142.db2.gz USSFRRDPOWPLCP-XXILOJSOSA-N 2 0 206.289 1.102 20 0 BDADRP CSCC[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000228911705 640904879 /nfs/dbraw/zinc/90/48/79/640904879.db2.gz SMVRPFKNPLRHGC-RYUDHWBXSA-N 2 0 246.420 1.174 20 0 BDADRP CO[C@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000230316158 641046974 /nfs/dbraw/zinc/04/69/74/641046974.db2.gz JHGVASOVXLBRGU-LBPRGKRZSA-N 2 0 212.337 1.239 20 0 BDADRP CC[C@@H]1CO[C@H](C)CN1C[C@]1(C)CCC[NH2+]C1 ZINC000062862445 641100867 /nfs/dbraw/zinc/10/08/67/641100867.db2.gz LSVQNWKYCGEZLV-MGPQQGTHSA-N 2 0 240.391 1.875 20 0 BDADRP C[N@H+](C[C@H](O)CC(F)(F)F)CC(C)(C)C[NH3+] ZINC000307936217 641194119 /nfs/dbraw/zinc/19/41/19/641194119.db2.gz IIFOFLCUPBCUEO-MRVPVSSYSA-N 2 0 242.285 1.216 20 0 BDADRP [NH3+]CC1CC[NH+](C[C@H](O)CC2CCCC2)CC1 ZINC000232148404 641248929 /nfs/dbraw/zinc/24/89/29/641248929.db2.gz ONBNXSPOSJUFFK-CQSZACIVSA-N 2 0 240.391 1.598 20 0 BDADRP C[NH2+]CCC[N@H+](C)C[C@@H](O)CC1CCCC1 ZINC000232148738 641249214 /nfs/dbraw/zinc/24/92/14/641249214.db2.gz OOEPBSDNVZEFCU-ZDUSSCGKSA-N 2 0 228.380 1.469 20 0 BDADRP COCc1cccc(C[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000088555217 641368910 /nfs/dbraw/zinc/36/89/10/641368910.db2.gz DOJXMDPPSNWEFG-CQSZACIVSA-N 2 0 234.343 1.614 20 0 BDADRP CC[C@@H](CO)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000929695176 641401393 /nfs/dbraw/zinc/40/13/93/641401393.db2.gz GDJHPRSMYIERGH-OLZOCXBDSA-N 2 0 226.364 1.175 20 0 BDADRP CC1CC[NH+](CCN[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089150325 641476875 /nfs/dbraw/zinc/47/68/75/641476875.db2.gz RATBHAAOKKUAFI-ZIAGYGMSSA-N 2 0 239.407 1.435 20 0 BDADRP CC[NH+]1CCN(CCC[NH2+]C2CCCC2)CC1 ZINC000047892522 641665551 /nfs/dbraw/zinc/66/55/51/641665551.db2.gz LRCAZIIMIUJDPY-UHFFFAOYSA-N 2 0 239.407 1.546 20 0 BDADRP C[C@H]([NH2+][C@H](CCO)C1CC1)C1CC[NH+](C)CC1 ZINC000090080776 641702021 /nfs/dbraw/zinc/70/20/21/641702021.db2.gz VEBMICRDRKNBFF-SMDDNHRTSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@@H]1CN(C(=O)CCCCCC[NH3+])C[C@H](C)[NH2+]1 ZINC000153218085 641732000 /nfs/dbraw/zinc/73/20/00/641732000.db2.gz YKYPMVUXUJNVNT-TXEJJXNPSA-N 2 0 241.379 1.104 20 0 BDADRP CSCC[C@@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000228880124 641747639 /nfs/dbraw/zinc/74/76/39/641747639.db2.gz UKOHTFXIXXPIFJ-SECBINFHSA-N 2 0 202.367 1.470 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000076672419 641820672 /nfs/dbraw/zinc/82/06/72/641820672.db2.gz ZYCJPPGHCMBZHY-LBPRGKRZSA-N 2 0 222.307 1.996 20 0 BDADRP C[N@H+](CCC[NH3+])CCSC(F)(F)F ZINC000123635928 641873595 /nfs/dbraw/zinc/87/35/95/641873595.db2.gz VJVASZNXPXQOCI-UHFFFAOYSA-N 2 0 216.272 1.520 20 0 BDADRP C[N@H+](CC1CC[NH+](C)CC1)C[C@H]1CCCCO1 ZINC000154750145 642223178 /nfs/dbraw/zinc/22/31/78/642223178.db2.gz YNICHUCADAMHMV-CQSZACIVSA-N 2 0 240.391 1.829 20 0 BDADRP C[NH+]1CCC(C[NH2+]C[C@H](O)c2ccco2)CC1 ZINC000070141777 642421185 /nfs/dbraw/zinc/42/11/85/642421185.db2.gz XBYBJKLHKJXAEI-LBPRGKRZSA-N 2 0 238.331 1.244 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC000036304483 642488986 /nfs/dbraw/zinc/48/89/86/642488986.db2.gz QQEZAUVFNNQFTN-UHFFFAOYSA-N 2 0 226.364 1.628 20 0 BDADRP CC1(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])CCOCC1 ZINC000233020406 642642936 /nfs/dbraw/zinc/64/29/36/642642936.db2.gz RESQARMMQDRHCN-QWHCGFSZSA-N 2 0 240.391 1.910 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]CCC(C)(C)[NH3+])C1(C)C ZINC000233764325 642690828 /nfs/dbraw/zinc/69/08/28/642690828.db2.gz FONHFJPAWIDMRO-WDEREUQCSA-N 2 0 228.380 1.907 20 0 BDADRP COCC1CC[NH+](CCCCCC[NH3+])CC1 ZINC000069633125 642887672 /nfs/dbraw/zinc/88/76/72/642887672.db2.gz ZMAFGLXSAWUFOP-UHFFFAOYSA-N 2 0 228.380 1.864 20 0 BDADRP CC[C@H]1COCC[N@@H+]1CCCCCC[NH3+] ZINC000036326935 643144545 /nfs/dbraw/zinc/14/45/45/643144545.db2.gz PGCKYAUQVISMQK-LBPRGKRZSA-N 2 0 214.353 1.616 20 0 BDADRP CCOCC[N@H+](CC)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000233741538 643244996 /nfs/dbraw/zinc/24/49/96/643244996.db2.gz NSWIHJXJOAPJLB-STQMWFEESA-N 2 0 228.380 1.733 20 0 BDADRP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCCCCC[NH3+] ZINC000035787495 643252572 /nfs/dbraw/zinc/25/25/72/643252572.db2.gz ZNXHJOOTSDQJRU-NEPJUHHUSA-N 2 0 214.353 1.615 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCCCCCO)C1 ZINC000175778432 643295158 /nfs/dbraw/zinc/29/51/58/643295158.db2.gz XJFACZQKOALODH-AWEZNQCLSA-N 2 0 242.407 1.813 20 0 BDADRP C[N@H+](C[C@H]1CCCOC1)C1CCC([NH3+])CC1 ZINC000082544763 643340357 /nfs/dbraw/zinc/34/03/57/643340357.db2.gz APYDWENXTOWEBX-PNESKVBLSA-N 2 0 226.364 1.615 20 0 BDADRP CC[NH2+]CC1CC[NH+](C[C@@H](O)CC)CC1 ZINC000082645672 643362890 /nfs/dbraw/zinc/36/28/90/643362890.db2.gz QGRBZAOSYRTOND-LBPRGKRZSA-N 2 0 214.353 1.079 20 0 BDADRP COC[C@@H]1CC[N@H+](CCCCCC[NH3+])C1 ZINC000081069479 643492851 /nfs/dbraw/zinc/49/28/51/643492851.db2.gz DUCSUFYHMYHNMA-GFCCVEGCSA-N 2 0 214.353 1.474 20 0 BDADRP [NH3+]C[C@@H]1C[N@H+](C/C=C/Cl)CC12CCOCC2 ZINC000846220381 643649564 /nfs/dbraw/zinc/64/95/64/643649564.db2.gz HUYARHJZOYJBBJ-CLUFZFBRSA-N 2 0 244.766 1.426 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](C/C=C/c2ccccc2)C1 ZINC000050247380 643662611 /nfs/dbraw/zinc/66/26/11/643662611.db2.gz WKJOTVVNGGDGPP-GBXSZLQWSA-N 2 0 216.328 1.980 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H]2CCC=CO2)C1 ZINC000050269652 643673184 /nfs/dbraw/zinc/67/31/84/643673184.db2.gz JWASPWOYHYZZEO-STQMWFEESA-N 2 0 224.348 1.611 20 0 BDADRP CC[C@H]1CO[C@@H](C)C[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000085015087 643679239 /nfs/dbraw/zinc/67/92/39/643679239.db2.gz IJILCLZVDGZALN-RNJOBUHISA-N 2 0 226.364 1.613 20 0 BDADRP CN(C(=O)CCCCC[NH3+])C1CC[NH+](C)CC1 ZINC000055368224 643679937 /nfs/dbraw/zinc/67/99/37/643679937.db2.gz ZUUVJYFLKRMMEW-UHFFFAOYSA-N 2 0 241.379 1.058 20 0 BDADRP CC[C@@H]1C[N@H+](Cc2ncccc2C)CC[C@@H]1[NH3+] ZINC000166344642 643812898 /nfs/dbraw/zinc/81/28/98/643812898.db2.gz PTVHWHHWDKVNTI-OLZOCXBDSA-N 2 0 233.359 1.949 20 0 BDADRP CCO[C@H](C[NH2+][C@@H]1CO[C@@H](CC)C1)CN(C)C ZINC000922756022 644087967 /nfs/dbraw/zinc/08/79/67/644087967.db2.gz KOCDOPBKGBTGOU-RWMBFGLXSA-N 2 0 244.379 1.110 20 0 BDADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2cc[nH]n2)CC1 ZINC000922847643 644118979 /nfs/dbraw/zinc/11/89/79/644118979.db2.gz VHMWDRVESDOEGU-UHFFFAOYSA-N 2 0 248.374 1.906 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C1CCC([NH3+])CC1 ZINC000086496123 644142578 /nfs/dbraw/zinc/14/25/78/644142578.db2.gz GUCHPOYAFVGROZ-XVSSEFHLSA-N 3 0 225.380 1.377 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@H+](C[C@@H](O)CCC(C)C)C1 ZINC000923280552 644314889 /nfs/dbraw/zinc/31/48/89/644314889.db2.gz BOMXGPHNQKFSLG-KGLIPLIRSA-N 2 0 242.407 1.715 20 0 BDADRP CCCCCC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000923282873 644319071 /nfs/dbraw/zinc/31/90/71/644319071.db2.gz YAIOFVFTRRBRGI-QWHCGFSZSA-N 2 0 228.380 1.598 20 0 BDADRP CC(C)CC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000923287387 644319773 /nfs/dbraw/zinc/31/97/73/644319773.db2.gz DROOUVPBZRZJJV-AVGNSLFASA-N 2 0 228.380 1.453 20 0 BDADRP CN(CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CC[NH2+]C1 ZINC000923288351 644320699 /nfs/dbraw/zinc/32/06/99/644320699.db2.gz VSPYUQXXCJKQPH-GSPSYOTPSA-N 2 0 237.391 1.201 20 0 BDADRP CC(C)CC[C@H](O)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000923288100 644320932 /nfs/dbraw/zinc/32/09/32/644320932.db2.gz HKMYJBJAMILVAN-MCIONIFRSA-N 2 0 242.407 1.843 20 0 BDADRP C[C@@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)Cc2ccccc21 ZINC000923299605 644325597 /nfs/dbraw/zinc/32/55/97/644325597.db2.gz XCGFVLPWHCCNAH-WCUVEOEZSA-N 2 0 246.354 1.456 20 0 BDADRP C[C@](C[NH3+])([NH2+]C[C@@H](O)CC(F)(F)F)C1CC1 ZINC000923296407 644335106 /nfs/dbraw/zinc/33/51/06/644335106.db2.gz RKUQQEGQYDMICD-DTWKUNHWSA-N 2 0 240.269 1.017 20 0 BDADRP Cc1ccc(C[N@@H+](C)[C@H]2C[C@H]([NH3+])C[C@@H]2O)cc1 ZINC000923298569 644337187 /nfs/dbraw/zinc/33/71/87/644337187.db2.gz VYWSVKXQOHTHHC-IHRRRGAJSA-N 2 0 234.343 1.277 20 0 BDADRP CC(C)[C@@H]1CCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923304228 644339737 /nfs/dbraw/zinc/33/97/37/644339737.db2.gz PMRPFURAGVPUGJ-STQMWFEESA-N 2 0 238.375 1.485 20 0 BDADRP CC(C)[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CCC1 ZINC000923314656 644342876 /nfs/dbraw/zinc/34/28/76/644342876.db2.gz XFVKBPGBTPSQQK-ZDUSSCGKSA-N 2 0 238.375 1.628 20 0 BDADRP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CCC2(CCC2)C1 ZINC000923315306 644343673 /nfs/dbraw/zinc/34/36/73/644343673.db2.gz GLXITOPZWNBTFG-LBPRGKRZSA-N 2 0 236.359 1.241 20 0 BDADRP CC(C)[C@@H]1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923315860 644343996 /nfs/dbraw/zinc/34/39/96/644343996.db2.gz NDKAZEDHUYABNB-RFGFWPKPSA-N 2 0 240.391 1.595 20 0 BDADRP CC[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)[C@H](C)C(C)C ZINC000923308934 644346427 /nfs/dbraw/zinc/34/64/27/644346427.db2.gz KCRDINUAJKDRQY-OLZOCXBDSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@@H]1CCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)[C@@H]1C ZINC000923310579 644346728 /nfs/dbraw/zinc/34/67/28/644346728.db2.gz KDYAURYKEWHYHF-JHJVBQTASA-N 2 0 238.375 1.485 20 0 BDADRP C[C@@H]1CCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)[C@@H]1C ZINC000923310580 644347611 /nfs/dbraw/zinc/34/76/11/644347611.db2.gz KDYAURYKEWHYHF-UPJWGTAASA-N 2 0 238.375 1.485 20 0 BDADRP c1cn(C2CC[NH+](CCC[NH2+]C3CC3)CC2)cn1 ZINC000923321380 644350550 /nfs/dbraw/zinc/35/05/50/644350550.db2.gz DHOSEERLFCHYKH-UHFFFAOYSA-N 2 0 248.374 1.662 20 0 BDADRP CCCCCC[C@H](O)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000923333861 644354183 /nfs/dbraw/zinc/35/41/83/644354183.db2.gz YMHSPJZXRXWRQT-MCIONIFRSA-N 2 0 242.407 1.987 20 0 BDADRP CC[C@H](O)C[N@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000923336968 644356449 /nfs/dbraw/zinc/35/64/49/644356449.db2.gz VKKFFAYGDFDBDU-NEPJUHHUSA-N 2 0 214.353 1.221 20 0 BDADRP CCc1onc(C)c1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000923331929 644359486 /nfs/dbraw/zinc/35/94/86/644359486.db2.gz JKADCPABCDQIHT-UHTWSYAYSA-N 2 0 249.358 1.715 20 0 BDADRP CC(C)CC[C@H](O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000923331547 644360609 /nfs/dbraw/zinc/36/06/09/644360609.db2.gz LSTZHZUYELFSSK-UONOGXRCSA-N 2 0 240.391 1.469 20 0 BDADRP CC1([NH3+])CC[NH+](C[C@H](O)Cc2ccccc2)CC1 ZINC000923345079 644365674 /nfs/dbraw/zinc/36/56/74/644365674.db2.gz HZAAFDIBLSHYQL-CQSZACIVSA-N 2 0 248.370 1.403 20 0 BDADRP C[C@H](O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000923358991 644368316 /nfs/dbraw/zinc/36/83/16/644368316.db2.gz NSPOZWFIEIKBLM-YNEHKIRRSA-N 2 0 226.364 1.079 20 0 BDADRP CC(C)CC[C@@H](O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000923356774 644375596 /nfs/dbraw/zinc/37/55/96/644375596.db2.gz ULHGJWLONJUHDK-OLZOCXBDSA-N 2 0 228.380 1.454 20 0 BDADRP CC[C@H](O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000923360327 644383019 /nfs/dbraw/zinc/38/30/19/644383019.db2.gz ZZXBQIMSCGUNLP-MJBXVCDLSA-N 2 0 240.391 1.469 20 0 BDADRP CC(C)c1cccc(CNC(C[NH3+])C[NH3+])c1 ZINC000923359894 644384045 /nfs/dbraw/zinc/38/40/45/644384045.db2.gz WDAKLLCLWKTCII-UHFFFAOYSA-N 2 0 221.348 1.186 20 0 BDADRP CC(C)CC[C@H](O)C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000923375872 644388236 /nfs/dbraw/zinc/38/82/36/644388236.db2.gz QUPMPCRLYCOJBJ-MJBXVCDLSA-N 2 0 242.407 1.700 20 0 BDADRP CC(C)CC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000923375873 644389558 /nfs/dbraw/zinc/38/95/58/644389558.db2.gz QUPMPCRLYCOJBJ-RDBSUJKOSA-N 2 0 242.407 1.700 20 0 BDADRP CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923379296 644392261 /nfs/dbraw/zinc/39/22/61/644392261.db2.gz OSPRIXLVGCUBMF-QJPTWQEYSA-N 2 0 226.364 1.389 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)CC(F)(F)F ZINC000923382560 644393826 /nfs/dbraw/zinc/39/38/26/644393826.db2.gz CWQKCADCOGCKBN-IWSPIJDZSA-N 2 0 240.269 1.159 20 0 BDADRP O[C@H]1CCC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923387480 644398723 /nfs/dbraw/zinc/39/87/23/644398723.db2.gz OOWKEXDUVYLEDR-GSPSYOTPSA-N 2 0 238.375 1.364 20 0 BDADRP [NH3+]CC12CC(C1)CN2CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923392301 644398931 /nfs/dbraw/zinc/39/89/31/644398931.db2.gz VADHJHGPCMSBBC-QRFUTXMCSA-N 2 0 249.402 1.330 20 0 BDADRP C[C@@H]1CCCN(CCC[NH2+]C2CC2)[C@H]1CC[NH3+] ZINC000923387962 644399036 /nfs/dbraw/zinc/39/90/36/644399036.db2.gz PNWQJTQHLVIKDO-OCCSQVGLSA-N 2 0 239.407 1.578 20 0 BDADRP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(C)(C)[NH3+] ZINC000923386003 644400463 /nfs/dbraw/zinc/40/04/63/644400463.db2.gz ITGPYTGFOUJKLG-YHWZYXNKSA-N 3 0 239.407 1.576 20 0 BDADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCC[C@@H](C3CCC3)C2)C1 ZINC000923396055 644401044 /nfs/dbraw/zinc/40/10/44/644401044.db2.gz UWGOOIQEEVOSFV-RFGFWPKPSA-N 2 0 238.375 1.349 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@@H](O)Cc1ccccc1 ZINC000923393294 644402208 /nfs/dbraw/zinc/40/22/08/644402208.db2.gz OBIGSSRMDYBPJQ-YUELXQCFSA-N 2 0 248.370 1.402 20 0 BDADRP CCC1(CC)CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923389553 644402401 /nfs/dbraw/zinc/40/24/01/644402401.db2.gz DHZQABCUPFEBGT-AVGNSLFASA-N 2 0 240.391 1.739 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CN1C[C@@H](O)CCc1ccccc1 ZINC000923411200 644410739 /nfs/dbraw/zinc/41/07/39/644410739.db2.gz ACUREGUPRYYZJU-SNPRPXQTSA-N 2 0 248.370 1.402 20 0 BDADRP C1=CC[C@@H]2C[N@@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)C[C@@H]2C1 ZINC000923415490 644417415 /nfs/dbraw/zinc/41/74/15/644417415.db2.gz QNZPIMCSXHZQKK-MJBXVCDLSA-N 2 0 248.370 1.263 20 0 BDADRP CC[NH+]1CCC(N[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000084220326 644420408 /nfs/dbraw/zinc/42/04/08/644420408.db2.gz SRMXHVVMPIANOE-DGCLKSJQSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@H]1CN[C@@H](C)[C@@H](C)[N@@H+]1CC1CC[NH2+]CC1 ZINC000923435918 644428480 /nfs/dbraw/zinc/42/84/80/644428480.db2.gz KVSKKVHLMHUQKH-GRYCIOLGSA-N 2 0 225.380 1.057 20 0 BDADRP CC[C@H](C)C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923450029 644439405 /nfs/dbraw/zinc/43/94/05/644439405.db2.gz DRTBUQVAKUVSBO-STQMWFEESA-N 2 0 240.391 1.862 20 0 BDADRP C[N@H+](C[C@@H](O)C(F)(F)F)C1CCC([NH3+])CC1 ZINC000085869833 644452522 /nfs/dbraw/zinc/45/25/22/644452522.db2.gz LACVKCVIWRJREY-AMDVSUOASA-N 2 0 240.269 1.111 20 0 BDADRP CCOc1ccc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)nc1 ZINC000923482647 644459044 /nfs/dbraw/zinc/45/90/44/644459044.db2.gz GYQJLGAPGIDBDE-GFCCVEGCSA-N 2 0 249.358 1.651 20 0 BDADRP [NH3+]CCCCCCC[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923483514 644460251 /nfs/dbraw/zinc/46/02/51/644460251.db2.gz BGPLUGJIZQFNIQ-ZDUSSCGKSA-N 3 0 227.396 1.566 20 0 BDADRP CCCCOC(=O)[C@H](C)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923484816 644461876 /nfs/dbraw/zinc/46/18/76/644461876.db2.gz NRASMPWUICGSJV-RYUDHWBXSA-N 2 0 242.363 1.389 20 0 BDADRP C[C@H]1C[N@H+](Cc2ncc(C3CC3)o2)CC[C@H]1C[NH3+] ZINC000923495883 644462519 /nfs/dbraw/zinc/46/25/19/644462519.db2.gz DVCZSFMOBIZZGM-JQWIXIFHSA-N 2 0 249.358 1.969 20 0 BDADRP Cc1ccncc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923488447 644464387 /nfs/dbraw/zinc/46/43/87/644464387.db2.gz FVWKPQROCNVFCO-STQMWFEESA-N 2 0 233.359 1.807 20 0 BDADRP CCO[C@H](C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1)C1CC1 ZINC000923489798 644464539 /nfs/dbraw/zinc/46/45/39/644464539.db2.gz LCHSPWCCKRFWQT-IACUBPJLSA-N 2 0 240.391 1.718 20 0 BDADRP C[C@H]1C[N@H+](Cc2cc(C3CC3)no2)CC[C@H]1C[NH3+] ZINC000923489402 644464578 /nfs/dbraw/zinc/46/45/78/644464578.db2.gz JNROOINFZBCKNR-JQWIXIFHSA-N 2 0 249.358 1.969 20 0 BDADRP Cc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)no1 ZINC000923490400 644465040 /nfs/dbraw/zinc/46/50/40/644465040.db2.gz NKBMFWMNJXQCKJ-ONGXEEELSA-N 2 0 223.320 1.400 20 0 BDADRP COC(=O)CCCC[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923490683 644465264 /nfs/dbraw/zinc/46/52/64/644465264.db2.gz OQKOZSFCUVXNQP-RYUDHWBXSA-N 2 0 242.363 1.246 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)C1 ZINC000923491945 644466945 /nfs/dbraw/zinc/46/69/45/644466945.db2.gz VIAKSFPDYTWUKP-WUHRBBMRSA-N 2 0 226.364 1.328 20 0 BDADRP CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923491974 644467636 /nfs/dbraw/zinc/46/76/36/644467636.db2.gz LODROAWEJYRNKU-NDBYEHHHSA-N 2 0 210.365 1.949 20 0 BDADRP C[C@@H]1C[N@H+](CCCCCCO)CC[C@@H]1C[NH3+] ZINC000923502249 644470440 /nfs/dbraw/zinc/47/04/40/644470440.db2.gz YIWQJGVEYDWMAK-CHWSQXEVSA-N 2 0 228.380 1.456 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccnc(N)c2)CC[C@H]1C[NH3+] ZINC000923497538 644472583 /nfs/dbraw/zinc/47/25/83/644472583.db2.gz LZZKQOHSOLOXTD-JQWIXIFHSA-N 2 0 234.347 1.081 20 0 BDADRP Cc1cnc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cn1 ZINC000923500855 644473265 /nfs/dbraw/zinc/47/32/65/644473265.db2.gz PPXJUXGMZIOESH-CMPLNLGQSA-N 2 0 234.347 1.202 20 0 BDADRP Cc1noc([C@H](C)[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)n1 ZINC000923498794 644473658 /nfs/dbraw/zinc/47/36/58/644473658.db2.gz LPVDSHWCIUJCCC-QXEWZRGKSA-N 2 0 238.335 1.356 20 0 BDADRP [NH3+]CCC[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923505821 644475302 /nfs/dbraw/zinc/47/53/02/644475302.db2.gz CQDLVAFAFSERAJ-ZDUSSCGKSA-N 3 0 239.407 1.437 20 0 BDADRP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)ccn1 ZINC000923515698 644479923 /nfs/dbraw/zinc/47/99/23/644479923.db2.gz KPVOKJLFLAQCDK-UONOGXRCSA-N 2 0 231.343 1.431 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)C1 ZINC000923530675 644488428 /nfs/dbraw/zinc/48/84/28/644488428.db2.gz MEGPTVPATUGLEN-MJBXVCDLSA-N 2 0 237.391 1.332 20 0 BDADRP C(CN1CC[C@]2(C1)CCCC[NH2+]2)[C@@H]1CC[NH2+]C1 ZINC000923532278 644488907 /nfs/dbraw/zinc/48/89/07/644488907.db2.gz AHPBJRCXQFUAGP-KBPBESRZSA-N 2 0 237.391 1.204 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923535793 644492019 /nfs/dbraw/zinc/49/20/19/644492019.db2.gz JKLQEKQXILXQKB-CQSZACIVSA-N 3 0 237.391 1.204 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923535792 644493138 /nfs/dbraw/zinc/49/31/38/644493138.db2.gz JKLQEKQXILXQKB-AWEZNQCLSA-N 3 0 237.391 1.204 20 0 BDADRP COc1cccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089149832 644535740 /nfs/dbraw/zinc/53/57/40/644535740.db2.gz QUBQNRYGLJNKQD-TZMCWYRMSA-N 2 0 234.343 1.912 20 0 BDADRP C[N@H+](CCOCC1CC1)C[C@]1(C)CCC[NH2+]C1 ZINC000094989955 644734218 /nfs/dbraw/zinc/73/42/18/644734218.db2.gz JQPUJSRUYANXHK-CQSZACIVSA-N 2 0 240.391 1.735 20 0 BDADRP CO[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250457343 644759480 /nfs/dbraw/zinc/75/94/80/644759480.db2.gz IZLQCRPEUYXUOL-ZOBORPQBSA-N 2 0 238.375 1.770 20 0 BDADRP CN1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000250646973 644773652 /nfs/dbraw/zinc/77/36/52/644773652.db2.gz VOVQYJIHGROAPL-REWJHTLYSA-N 2 0 237.391 1.201 20 0 BDADRP C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000251285492 644800305 /nfs/dbraw/zinc/80/03/05/644800305.db2.gz NBUHZLGPWAINLL-MCIONIFRSA-N 2 0 237.391 1.202 20 0 BDADRP CC[C@@H]1COCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000251873814 644828002 /nfs/dbraw/zinc/82/80/02/644828002.db2.gz UPYOKBKEEKUOLW-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(C)C2)[C@H](C)C1 ZINC000252709386 644888600 /nfs/dbraw/zinc/88/86/00/644888600.db2.gz CTSPHQPWKALSII-AGIUHOORSA-N 2 0 225.380 1.010 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000252739642 644897426 /nfs/dbraw/zinc/89/74/26/644897426.db2.gz FYQIRSCWRDWBLW-ZZIFITQXSA-N 2 0 224.348 1.379 20 0 BDADRP CC(C)OCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000252834053 644913719 /nfs/dbraw/zinc/91/37/19/644913719.db2.gz QDYZAWZNAVAKBX-MGPQQGTHSA-N 2 0 240.391 1.922 20 0 BDADRP [NH3+]CCCCCC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000834848673 645148743 /nfs/dbraw/zinc/14/87/43/645148743.db2.gz FLTRPAPYWWHHEX-GFCCVEGCSA-N 2 0 241.379 1.154 20 0 BDADRP CC[NH2+]CC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000841856823 645229896 /nfs/dbraw/zinc/22/98/96/645229896.db2.gz QDQFCEYTTBAVNR-ZDUSSCGKSA-N 2 0 249.358 1.192 20 0 BDADRP CN(C(=O)CCCCCC[NH3+])[C@H](C[NH3+])C1CC1 ZINC000841856295 645230225 /nfs/dbraw/zinc/23/02/25/645230225.db2.gz MOBGKGQBQRRZBE-GFCCVEGCSA-N 2 0 241.379 1.091 20 0 BDADRP CC[NH+](CC)C[C@@H]1CCN(C[C@@H]2CCC[NH2+]2)C1 ZINC000843061223 645260839 /nfs/dbraw/zinc/26/08/39/645260839.db2.gz CFMLJZIUPUXVSQ-KBPBESRZSA-N 2 0 239.407 1.402 20 0 BDADRP COCC(C)(C)C[NH2+]CCCCCC[NH3+] ZINC000843128730 645267443 /nfs/dbraw/zinc/26/74/43/645267443.db2.gz KYGFHOSFHODSGK-UHFFFAOYSA-N 2 0 216.369 1.768 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)CC[NH2+]1 ZINC000843129415 645267723 /nfs/dbraw/zinc/26/77/23/645267723.db2.gz UADQNHGSKWTZIM-BXUZGUMPSA-N 3 0 233.359 1.375 20 0 BDADRP CC[NH2+]Cc1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000843227033 645276270 /nfs/dbraw/zinc/27/62/70/645276270.db2.gz PQULOKUBPWVODE-UHFFFAOYSA-N 2 0 243.270 1.494 20 0 BDADRP [NH3+]CCCCCCC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000843367436 645287024 /nfs/dbraw/zinc/28/70/24/645287024.db2.gz HIKXYTXAJCOGPZ-CQSZACIVSA-N 3 0 239.407 1.581 20 0 BDADRP c1ccc([C@H]2CC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)nc1 ZINC000843388771 645287613 /nfs/dbraw/zinc/28/76/13/645287613.db2.gz FJRJJQUHMWEWQK-OLZOCXBDSA-N 2 0 231.343 1.480 20 0 BDADRP C[C@@H]1OC[C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)[C@@H]1C ZINC000926574358 645291356 /nfs/dbraw/zinc/29/13/56/645291356.db2.gz WEGOCYRXPYUKPE-RQJABVFESA-N 2 0 240.391 1.731 20 0 BDADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CO[C@@H](C)[C@H]1C ZINC000926646310 645330902 /nfs/dbraw/zinc/33/09/02/645330902.db2.gz XNALEVMXMKCSRI-HZSPNIEDSA-N 2 0 242.407 1.977 20 0 BDADRP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)C(C)(C)CO ZINC000926644076 645332207 /nfs/dbraw/zinc/33/22/07/645332207.db2.gz FFOKQDIWXLKBEL-CYBMUJFWSA-N 2 0 244.423 1.961 20 0 BDADRP C[C@H]([NH2+][C@H]1C[C@H](O)C1)c1cccc(C[NH+](C)C)c1 ZINC000926734170 645392202 /nfs/dbraw/zinc/39/22/02/645392202.db2.gz XBHPCYRIAQZWSA-CQDKDKBSSA-N 2 0 248.370 1.922 20 0 BDADRP CCC[C@H](O)CC[NH2+]C1CC[NH+](CC)CC1 ZINC000927031105 645529955 /nfs/dbraw/zinc/52/99/55/645529955.db2.gz YTMFFYXMOPRLDW-ZDUSSCGKSA-N 2 0 228.380 1.611 20 0 BDADRP C[C@H](CCO)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927040215 645531733 /nfs/dbraw/zinc/53/17/33/645531733.db2.gz ZIIUBLNOVBVHIG-IYXRBSQSSA-N 2 0 240.391 1.754 20 0 BDADRP COCCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925494191 645732191 /nfs/dbraw/zinc/73/21/91/645732191.db2.gz IZABAMKFXIHEMT-UONOGXRCSA-N 2 0 240.391 1.781 20 0 BDADRP CCCNC(=[NH2+])NCCC1CC[NH+](C)CC1 ZINC000221882594 645894279 /nfs/dbraw/zinc/89/42/79/645894279.db2.gz ZMGBNCLSBPYUJE-UHFFFAOYSA-N 2 0 226.368 1.242 20 0 BDADRP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)C(C)(C)CO ZINC000924526165 646046648 /nfs/dbraw/zinc/04/66/48/646046648.db2.gz IMSMMYMZBQDAPZ-LLVKDONJSA-N 2 0 230.396 1.571 20 0 BDADRP C[NH+](C)CCC[NH2+][C@H]1CCCC[C@H]1CCCO ZINC000924540958 646062232 /nfs/dbraw/zinc/06/22/32/646062232.db2.gz RQTJDHFAFNFKHI-KBPBESRZSA-N 2 0 242.407 1.859 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1cccnc1 ZINC000924632224 646082162 /nfs/dbraw/zinc/08/21/62/646082162.db2.gz BWUNWIBMSQDYLX-YIONKMFJSA-N 2 0 245.370 1.554 20 0 BDADRP C[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccnnc1 ZINC000924648598 646087433 /nfs/dbraw/zinc/08/74/33/646087433.db2.gz MFVAUZWVLVHGHH-VXGBXAGGSA-N 2 0 246.358 1.612 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)C(C)(C)CO)C1 ZINC000924755830 646102997 /nfs/dbraw/zinc/10/29/97/646102997.db2.gz XKCSKRVWFZTUCZ-QWHCGFSZSA-N 2 0 242.407 1.715 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000924852725 646116833 /nfs/dbraw/zinc/11/68/33/646116833.db2.gz KTBASHSJUOKYIB-IWMBGFJWSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@H]1COC[C@@H]1[NH2+]CCCCNc1ccccn1 ZINC000924927699 646134391 /nfs/dbraw/zinc/13/43/91/646134391.db2.gz QQWPIPBQLIQUHC-STQMWFEESA-N 2 0 249.358 1.898 20 0 BDADRP Cc1nonc1[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000924964265 646145296 /nfs/dbraw/zinc/14/52/96/646145296.db2.gz PUTLHPFMHIDEMD-VIFPVBQESA-N 2 0 238.335 1.370 20 0 BDADRP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000925012808 646157297 /nfs/dbraw/zinc/15/72/97/646157297.db2.gz WQYVNWMURXQGKN-RQJABVFESA-N 2 0 240.391 1.589 20 0 BDADRP CC[C@H](CO)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000929507247 646159745 /nfs/dbraw/zinc/15/97/45/646159745.db2.gz SJEMJSASMCMNFL-CQSZACIVSA-N 2 0 242.407 1.810 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925480657 646293256 /nfs/dbraw/zinc/29/32/56/646293256.db2.gz GNBUVCACCQCNGA-QNWHQSFQSA-N 2 0 242.407 1.889 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925482119 646294765 /nfs/dbraw/zinc/29/47/65/646294765.db2.gz LFMXJOLOYSMHDI-WHOHXGKFSA-N 2 0 226.364 1.253 20 0 BDADRP Cc1cc(CN[C@H]2C[C@H]([NH3+])CC(C)(C)C2)on1 ZINC000925490058 646298450 /nfs/dbraw/zinc/29/84/50/646298450.db2.gz AITYRILEJVIVPQ-QWRGUYRKSA-N 2 0 237.347 1.979 20 0 BDADRP C[C@@H](CN[C@H]1CC[NH2+]C12CCC2)[N@H+](C)C1CC1 ZINC000925497342 646301075 /nfs/dbraw/zinc/30/10/75/646301075.db2.gz VCMQMJLSXLETAL-AAEUAGOBSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@H](O)CC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925498474 646301591 /nfs/dbraw/zinc/30/15/91/646301591.db2.gz GLKFBZKAUZMMLR-HBNTYKKESA-N 2 0 214.353 1.253 20 0 BDADRP C[C@@H](O)CC[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925499194 646304194 /nfs/dbraw/zinc/30/41/94/646304194.db2.gz MQUXSDZXXGRPCU-TZMCWYRMSA-N 2 0 236.359 1.827 20 0 BDADRP CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925512858 646309955 /nfs/dbraw/zinc/30/99/55/646309955.db2.gz GIFPVEOHYSQPJJ-DCAQKATOSA-N 2 0 241.379 1.007 20 0 BDADRP CC(=O)NCCC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925521720 646314311 /nfs/dbraw/zinc/31/43/11/646314311.db2.gz ZXXOWAKIZPISMF-NEPJUHHUSA-N 2 0 241.379 1.008 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](CCOC2CC2)C1 ZINC000929792291 646321057 /nfs/dbraw/zinc/32/10/57/646321057.db2.gz YVIQYSUIXUXHFN-GFCCVEGCSA-N 2 0 226.364 1.439 20 0 BDADRP C[C@@H]1CCC[N@H+](CCN[C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000925548639 646325976 /nfs/dbraw/zinc/32/59/76/646325976.db2.gz DAWAOHMLOFEQCR-HZSPNIEDSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H](CCCO)[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925549406 646326660 /nfs/dbraw/zinc/32/66/60/646326660.db2.gz KVXDULQZABTKLT-NWDGAFQWSA-N 2 0 226.364 1.412 20 0 BDADRP CC1(C)C[C@@H]([NH2+]CC2CCOCC2)C[C@@H]([NH3+])C1 ZINC000925546618 646327259 /nfs/dbraw/zinc/32/72/59/646327259.db2.gz LNZPWYUZAXMHJM-OLZOCXBDSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H](CCCO)[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925549407 646327657 /nfs/dbraw/zinc/32/76/57/646327657.db2.gz KVXDULQZABTKLT-RYUDHWBXSA-N 2 0 226.364 1.412 20 0 BDADRP C[C@H]1CCC[N@H+](CCN[C@H]2CC[NH2+]C2(C)C)C1 ZINC000925548494 646327711 /nfs/dbraw/zinc/32/77/11/646327711.db2.gz CITWUOKPZTVIDN-STQMWFEESA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000925584276 646345803 /nfs/dbraw/zinc/34/58/03/646345803.db2.gz KHJPQOTYFNFSLG-CMPLNLGQSA-N 2 0 208.349 1.907 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCc3n[nH]cc3C2)C12CCC2 ZINC000925582520 646347649 /nfs/dbraw/zinc/34/76/49/646347649.db2.gz GNLRBWPXAAVBOR-RAIGVLPGSA-N 2 0 246.358 1.127 20 0 BDADRP CC[C@H](CN[C@@H]1CC[NH2+]C1(C)C)[NH+]1CCCC1 ZINC000925606771 646356746 /nfs/dbraw/zinc/35/67/46/646356746.db2.gz QGCJBDYNRWSXCE-CHWSQXEVSA-N 2 0 239.407 1.591 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1ccncc1 ZINC000925617926 646366058 /nfs/dbraw/zinc/36/60/58/646366058.db2.gz XWMUDVSNUHUFEQ-DGKWVBSXSA-N 2 0 245.370 1.730 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCCF)C1 ZINC000925619370 646367456 /nfs/dbraw/zinc/36/74/56/646367456.db2.gz MZAJUIXOBVWDDT-NXEZZACHSA-N 2 0 202.317 1.842 20 0 BDADRP CC(C)[C@@H](O)C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925621239 646368283 /nfs/dbraw/zinc/36/82/83/646368283.db2.gz ZTTSVANMJRFUJT-VOAKCMCISA-N 2 0 240.391 1.370 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925630049 646373540 /nfs/dbraw/zinc/37/35/40/646373540.db2.gz PYDWSHOPJKOGHM-RYUDHWBXSA-N 2 0 226.364 1.269 20 0 BDADRP CC(C)OCC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925647283 646375127 /nfs/dbraw/zinc/37/51/27/646375127.db2.gz BJEWNSCEBQNJQL-RYUDHWBXSA-N 2 0 228.380 1.907 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C2(C)C)CCO1 ZINC000925630966 646376026 /nfs/dbraw/zinc/37/60/26/646376026.db2.gz SWDPTUNMPQCKAY-GMTAPVOTSA-N 2 0 212.337 1.284 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]CCOCC2CCC2)C12CCC2 ZINC000925639710 646382150 /nfs/dbraw/zinc/38/21/50/646382150.db2.gz MWRMYYPQXJVJAH-QWHCGFSZSA-N 2 0 238.375 1.663 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CCOCC2CCC2)C12CCC2 ZINC000925639709 646382187 /nfs/dbraw/zinc/38/21/87/646382187.db2.gz MWRMYYPQXJVJAH-OLZOCXBDSA-N 2 0 238.375 1.663 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCCCO)C1 ZINC000925655752 646393553 /nfs/dbraw/zinc/39/35/53/646393553.db2.gz HLBBSCHXAHFLMR-GHMZBOCLSA-N 2 0 214.353 1.255 20 0 BDADRP C[C@@H](O)CCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925655739 646395366 /nfs/dbraw/zinc/39/53/66/646395366.db2.gz HCHMUJRPUTTYJX-VXGBXAGGSA-N 2 0 226.364 1.412 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCc3nc[nH]c3C2)C12CCC2 ZINC000925667203 646397717 /nfs/dbraw/zinc/39/77/17/646397717.db2.gz AORDABWWLNXTIQ-WQAKAFBOSA-N 2 0 246.358 1.127 20 0 BDADRP CC(C)[N@@H+](C)C[C@H](C)N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925669111 646399950 /nfs/dbraw/zinc/39/99/50/646399950.db2.gz OZRSJGHLGWTCGT-YNEHKIRRSA-N 2 0 239.407 1.575 20 0 BDADRP C[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925670547 646400532 /nfs/dbraw/zinc/40/05/32/646400532.db2.gz LXNGXPSMGPSITR-UPJWGTAASA-N 2 0 238.375 1.533 20 0 BDADRP CC(C)[N@@H+](C)C[C@H](C)N[C@@H]1CC[NH2+]C12CCC2 ZINC000925668605 646400900 /nfs/dbraw/zinc/40/09/00/646400900.db2.gz IOOJVYYFLRSZPW-QWHCGFSZSA-N 2 0 239.407 1.589 20 0 BDADRP COCC1(CC[NH2+][C@H]2CC[NH2+]C2(C)C)CCC1 ZINC000925674536 646403613 /nfs/dbraw/zinc/40/36/13/646403613.db2.gz BJKWUPNVZMBIBO-LBPRGKRZSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C1CC1 ZINC000925678921 646407359 /nfs/dbraw/zinc/40/73/59/646407359.db2.gz AWWZANVYOIMZMF-CCBLYANNSA-N 2 0 206.333 1.371 20 0 BDADRP C(C[NH2+][C@H]1CC[NH2+]C12CCC2)C[C@H]1CCOC1 ZINC000925687227 646412318 /nfs/dbraw/zinc/41/23/18/646412318.db2.gz GLIYOLTXSURJQB-STQMWFEESA-N 2 0 238.375 1.677 20 0 BDADRP C1[C@@H]2[C@H]1CCC[C@@H]2[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925687001 646412759 /nfs/dbraw/zinc/41/27/59/646412759.db2.gz YJPYBZRQASGGJS-LHFWTCQCSA-N 2 0 232.371 1.761 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H](O)C1CCC1 ZINC000925688604 646415221 /nfs/dbraw/zinc/41/52/21/646415221.db2.gz FIRBAOMPDCCDJR-NFMDPKQHSA-N 2 0 238.375 1.253 20 0 BDADRP CNC(=O)C[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925690410 646415787 /nfs/dbraw/zinc/41/57/87/646415787.db2.gz VEQIMPZIWSHKGB-GARJFASQSA-N 2 0 241.379 1.007 20 0 BDADRP CC(C)[NH2+]CCCN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925689530 646416198 /nfs/dbraw/zinc/41/61/98/646416198.db2.gz BLPMFWOYJJWEEH-QWHCGFSZSA-N 2 0 241.423 1.870 20 0 BDADRP C[C@H](N[C@@H]1C[C@H]([NH3+])C12CCC2)[C@H]1CCC[NH2+]C1 ZINC000925696333 646421292 /nfs/dbraw/zinc/42/12/92/646421292.db2.gz ZKDSDGOKFDWUAY-ZDEQEGDKSA-N 2 0 237.391 1.234 20 0 BDADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000925695787 646421630 /nfs/dbraw/zinc/42/16/30/646421630.db2.gz XLXWIAMYLCSILE-REWJHTLYSA-N 2 0 240.391 1.765 20 0 BDADRP C[C@@H]([NH3+])c1ccc(CN[C@@H]2CC[NH2+]C2(C)C)cc1 ZINC000925697364 646421994 /nfs/dbraw/zinc/42/19/94/646421994.db2.gz FBROYDNPEQTPCI-BXUZGUMPSA-N 2 0 247.386 1.936 20 0 BDADRP C[C@H]([NH3+])CN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925700218 646423100 /nfs/dbraw/zinc/42/31/00/646423100.db2.gz NTVMNTZARTVWTG-UHTWSYAYSA-N 2 0 225.380 1.092 20 0 BDADRP CC1(C)C[C@@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C[C@@H]([NH3+])C1 ZINC000925697812 646423255 /nfs/dbraw/zinc/42/32/55/646423255.db2.gz AOOUMCQPHXSZGO-LOWDOPEQSA-N 2 0 239.407 1.752 20 0 BDADRP CC(C)([NH3+])C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925699314 646423301 /nfs/dbraw/zinc/42/33/01/646423301.db2.gz NUZYLIDVKNCZPG-ZDUSSCGKSA-N 3 0 235.375 1.794 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@@H]1CCC[NH2+][C@H]1C ZINC000925700035 646423687 /nfs/dbraw/zinc/42/36/87/646423687.db2.gz RBZMLJUSYSTGHT-QJPTWQEYSA-N 2 0 213.369 1.234 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@@H]1CCC[C@@H]([NH3+])C1)[NH2+]2 ZINC000925699933 646423939 /nfs/dbraw/zinc/42/39/39/646423939.db2.gz MFYJUDCLQNKWHL-HUXGKSLCSA-N 2 0 237.391 1.375 20 0 BDADRP C[C@H]1NCCC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000925701651 646425726 /nfs/dbraw/zinc/42/57/26/646425726.db2.gz CUDWJEVVEPKNCX-NDBYEHHHSA-N 2 0 225.380 1.057 20 0 BDADRP Cc1cncc(CC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)n1 ZINC000925705940 646430313 /nfs/dbraw/zinc/43/03/13/646430313.db2.gz JCELPVSRLWFSRU-QWHCGFSZSA-N 2 0 246.358 1.187 20 0 BDADRP CC[C@H](C)CC[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2 ZINC000925708845 646432465 /nfs/dbraw/zinc/43/24/65/646432465.db2.gz SKCXHIUFYISEDK-PDWCTOEPSA-N 2 0 240.391 1.765 20 0 BDADRP C[C@H]([NH3+])[C@H](NCC1([NH3+])CCCC1)c1ccccc1 ZINC000925710246 646433974 /nfs/dbraw/zinc/43/39/74/646433974.db2.gz JBTRBSHOGICKBB-JSGCOSHPSA-N 2 0 247.386 1.936 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000925709692 646434606 /nfs/dbraw/zinc/43/46/06/646434606.db2.gz PSUQACDRECUXHD-NFMDPKQHSA-N 3 0 249.402 1.234 20 0 BDADRP CO[C@@H](C)C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925711575 646437660 /nfs/dbraw/zinc/43/76/60/646437660.db2.gz MXQOPHBVVVXYMH-HBNTYKKESA-N 2 0 214.353 1.517 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@@H](NCC2([NH3+])CCCC2)C1 ZINC000925713928 646438535 /nfs/dbraw/zinc/43/85/35/646438535.db2.gz YQSJHXPLJDBINH-NWDGAFQWSA-N 2 0 239.407 1.754 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@H](NCC2([NH3+])CCCC2)C1 ZINC000925713929 646439112 /nfs/dbraw/zinc/43/91/12/646439112.db2.gz YQSJHXPLJDBINH-RYUDHWBXSA-N 2 0 239.407 1.754 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@H]1CCC[NH2+][C@H]1C ZINC000925715150 646441122 /nfs/dbraw/zinc/44/11/22/646441122.db2.gz FBHJARGKRRLPIX-TUAOUCFPSA-N 3 0 213.369 1.090 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@@H]1CC[NH2+]C12CCC2 ZINC000925718717 646442168 /nfs/dbraw/zinc/44/21/68/646442168.db2.gz ZVSZMGKBIFFLGG-VXGBXAGGSA-N 2 0 225.380 1.234 20 0 BDADRP C1C[C@@H]([NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)C[NH2+]1 ZINC000925717864 646442254 /nfs/dbraw/zinc/44/22/54/646442254.db2.gz IKDLSDAPGWVDFN-WUHRBBMRSA-N 2 0 224.348 1.143 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@H]1CC[NH2+]C12CCC2 ZINC000925718716 646442681 /nfs/dbraw/zinc/44/26/81/646442681.db2.gz ZVSZMGKBIFFLGG-NEPJUHHUSA-N 2 0 225.380 1.234 20 0 BDADRP C[C@H]([NH3+])[C@@H](N[C@@H]1CC[NH2+][C@H]1C)c1ccccc1 ZINC000925719835 646444675 /nfs/dbraw/zinc/44/46/75/646444675.db2.gz UWWAEULSSNSIEX-CDGCEXEKSA-N 2 0 233.359 1.415 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C1 ZINC000925727444 646452100 /nfs/dbraw/zinc/45/21/00/646452100.db2.gz PSXAHKMXWLBDQJ-DDHJBXDOSA-N 3 0 225.380 1.219 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C12CCC2 ZINC000925726183 646452231 /nfs/dbraw/zinc/45/22/31/646452231.db2.gz FVCHYRRDXDVTNL-ZUWCUPBKSA-N 3 0 249.402 1.377 20 0 BDADRP C[C@H](N)[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccccc1 ZINC000925729232 646453588 /nfs/dbraw/zinc/45/35/88/646453588.db2.gz ZHEBSTXFQFSEGY-CDGCEXEKSA-N 2 0 233.359 1.402 20 0 BDADRP COCC1CC([NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925729014 646453908 /nfs/dbraw/zinc/45/39/08/646453908.db2.gz NTJAUXZRLPTSQH-KPFVRQRISA-N 2 0 240.391 1.907 20 0 BDADRP C[C@H]([NH2+]CC(C)(C)CC(F)F)C1C[NH2+]C1 ZINC000925733044 646456649 /nfs/dbraw/zinc/45/66/49/646456649.db2.gz FJISOADSACXTBP-QMMMGPOBSA-N 2 0 220.307 1.865 20 0 BDADRP CC[C@@H](NCCC(C)(C)[NH3+])[C@H]1CCCC[NH2+]1 ZINC000925738477 646460128 /nfs/dbraw/zinc/46/01/28/646460128.db2.gz VTKZXWGJCKCDHF-VXGBXAGGSA-N 2 0 227.396 1.624 20 0 BDADRP CC(C)[C@H](Cn1cccn1)[NH2+]CCC(C)(C)[NH3+] ZINC000925736556 646460948 /nfs/dbraw/zinc/46/09/48/646460948.db2.gz BIWUUVXIWAWNCN-LBPRGKRZSA-N 2 0 238.379 1.625 20 0 BDADRP CC(C)([NH3+])CC[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000925742506 646465374 /nfs/dbraw/zinc/46/53/74/646465374.db2.gz UXVQYZCRYMPXHO-TUAOUCFPSA-N 2 0 240.391 1.907 20 0 BDADRP CCC1([NH3+])CCN([C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925758572 646466571 /nfs/dbraw/zinc/46/65/71/646466571.db2.gz DGYGGNRVWAVVPZ-LBPRGKRZSA-N 2 0 237.391 1.474 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCC[C@]12CCCO2)[C@H]1CC[NH2+]C1 ZINC000925773011 646472382 /nfs/dbraw/zinc/47/23/82/646472382.db2.gz LQSHVNLQRQNXJE-RQJABVFESA-N 2 0 238.375 1.676 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000925773106 646473106 /nfs/dbraw/zinc/47/31/06/646473106.db2.gz LYLBRMAHHHWZCB-QJPTWQEYSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000925773110 646473431 /nfs/dbraw/zinc/47/34/31/646473431.db2.gz LYLBRMAHHHWZCB-TUAOUCFPSA-N 2 0 226.364 1.661 20 0 BDADRP COC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])[C@@H]1CCCOC1 ZINC000925778643 646477028 /nfs/dbraw/zinc/47/70/28/646477028.db2.gz KCZWDUSWJLJLDG-LOWDOPEQSA-N 2 0 244.379 1.143 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CCC12CCOCC2 ZINC000925783208 646479127 /nfs/dbraw/zinc/47/91/27/646479127.db2.gz JAFMDDTXKCHWHT-UTUOFQBUSA-N 2 0 224.348 1.143 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000925786680 646482825 /nfs/dbraw/zinc/48/28/25/646482825.db2.gz UINZTBUQTWAADK-GJQVQUKXSA-N 2 0 231.343 1.329 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1C[C@H]1C ZINC000925787836 646483563 /nfs/dbraw/zinc/48/35/63/646483563.db2.gz VNOWWYZSATVBMM-LBELIVKGSA-N 2 0 210.365 1.866 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cnccc1N ZINC000925802113 646486584 /nfs/dbraw/zinc/48/65/84/646486584.db2.gz DPVZVGNQTYMKAU-GRYCIOLGSA-N 2 0 248.374 1.390 20 0 BDADRP C[C@H](NCc1cc(N(C)C)cc[nH+]1)[C@@H]1CCC[NH2+]1 ZINC000925815730 646492132 /nfs/dbraw/zinc/49/21/32/646492132.db2.gz YVRFMZFFXCVALU-FZMZJTMJSA-N 2 0 248.374 1.378 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1NCc1cc(N(C)C)cc[nH+]1 ZINC000925814202 646492518 /nfs/dbraw/zinc/49/25/18/646492518.db2.gz YMVGACJSMWNEEN-BXUZGUMPSA-N 2 0 248.374 1.235 20 0 BDADRP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925824445 646496681 /nfs/dbraw/zinc/49/66/81/646496681.db2.gz TZGWZNKGVQIQRP-SNQJMGAGSA-N 2 0 232.371 1.617 20 0 BDADRP C[C@H]1[NH2+]CCC[C@@H]1NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925837169 646504868 /nfs/dbraw/zinc/50/48/68/646504868.db2.gz CDDCGFRMOXMKJC-XJFOESAGSA-N 2 0 237.391 1.249 20 0 BDADRP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925842299 646507904 /nfs/dbraw/zinc/50/79/04/646507904.db2.gz IVQBWCDYAWXZDQ-LERXQTSPSA-N 2 0 248.374 1.901 20 0 BDADRP CCC[C@@H](O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925855363 646509401 /nfs/dbraw/zinc/50/94/01/646509401.db2.gz GYTSACVZSVHLEZ-ZGVCCVRISA-N 2 0 226.364 1.410 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925846080 646509410 /nfs/dbraw/zinc/50/94/10/646509410.db2.gz OCJKJNBOVWUEGU-WUHRBBMRSA-N 2 0 224.348 1.286 20 0 BDADRP C[C@H]1OCC[C@H]1[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925846078 646509895 /nfs/dbraw/zinc/50/98/95/646509895.db2.gz OCJKJNBOVWUEGU-FDYHWXHSSA-N 2 0 224.348 1.286 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000925856722 646511558 /nfs/dbraw/zinc/51/15/58/646511558.db2.gz KRBXSTDJCVURSW-RWMBFGLXSA-N 2 0 228.380 1.515 20 0 BDADRP COC[C@H](C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1)C(C)C ZINC000925872959 646523717 /nfs/dbraw/zinc/52/37/17/646523717.db2.gz CAXYLHQSYWJRGT-UPJWGTAASA-N 2 0 228.380 1.493 20 0 BDADRP COC[C@@H](C[NH2+][C@@H]1CC[NH2+]C1(C)C)C(C)C ZINC000925875086 646524184 /nfs/dbraw/zinc/52/41/84/646524184.db2.gz YPPZAHWQVVKULL-VXGBXAGGSA-N 2 0 228.380 1.635 20 0 BDADRP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925875706 646526040 /nfs/dbraw/zinc/52/60/40/646526040.db2.gz MMEXAZDWZZXXMX-WCQGTBRESA-N 2 0 236.363 1.507 20 0 BDADRP Cc1ccc(NCC[NH2+][C@@H]2CCC[C@H]2C[NH3+])nc1 ZINC000925877046 646527717 /nfs/dbraw/zinc/52/77/17/646527717.db2.gz DNKGVHCNNKYVMA-QWHCGFSZSA-N 2 0 248.374 1.519 20 0 BDADRP COC[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)C(C)C ZINC000925876491 646528199 /nfs/dbraw/zinc/52/81/99/646528199.db2.gz ZQGGPHGGWVDKCG-GRYCIOLGSA-N 2 0 214.353 1.374 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879958 646529303 /nfs/dbraw/zinc/52/93/03/646529303.db2.gz NBGKTBJHKBMNDR-MROQNXINSA-N 3 0 225.380 1.221 20 0 BDADRP C[C@@H](Cc1cnccn1)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879912 646529668 /nfs/dbraw/zinc/52/96/68/646529668.db2.gz LYANHRBNIXOYKV-TUAOUCFPSA-N 2 0 234.347 1.125 20 0 BDADRP COCC1([NH2+][C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000925924384 646543001 /nfs/dbraw/zinc/54/30/01/646543001.db2.gz SYGTZKUIKWLMEP-CHWSQXEVSA-N 2 0 238.375 1.772 20 0 BDADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccnnc1 ZINC000926113018 646576526 /nfs/dbraw/zinc/57/65/26/646576526.db2.gz ADHKSKUWXYAEGW-LBPRGKRZSA-N 2 0 248.374 1.859 20 0 BDADRP CC(C)CC[NH+]1CCC([NH2+][C@@H](C)[C@@H](C)O)CC1 ZINC000926422052 646633660 /nfs/dbraw/zinc/63/36/60/646633660.db2.gz UQOUMDCKBVAYLQ-QWHCGFSZSA-N 2 0 242.407 1.856 20 0 BDADRP C[C@H]([NH2+]CCN(C)C)c1cccc(C[NH+](C)C)c1 ZINC000926422120 646634726 /nfs/dbraw/zinc/63/47/26/646634726.db2.gz WADGPQZESJFWBP-ZDUSSCGKSA-N 2 0 249.402 1.960 20 0 BDADRP C[C@H](C[NH2+][C@H](C)c1cc[nH]c(=O)c1)C[NH+](C)C ZINC000926475788 646654075 /nfs/dbraw/zinc/65/40/75/646654075.db2.gz WYARVTMCCIPXPJ-GHMZBOCLSA-N 2 0 237.347 1.636 20 0 BDADRP CCc1noc(C)c1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723708910 711535395 /nfs/dbraw/zinc/53/53/95/711535395.db2.gz IUPVRUGEZXWJGF-NSHDSACASA-N 2 0 237.347 1.716 20 0 BDADRP C[NH+](C)CC(C)(C)NC(=O)CC[NH2+]C(C)(C)C ZINC000308661759 711543034 /nfs/dbraw/zinc/54/30/34/711543034.db2.gz WIOAJWCHIGDEQA-UHFFFAOYSA-N 2 0 243.395 1.221 20 0 BDADRP C[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1CC[NH3+] ZINC000723881622 711543343 /nfs/dbraw/zinc/54/33/43/711543343.db2.gz BSOMQALPXNFVMG-QWZJGYIASA-N 2 0 202.729 1.656 20 0 BDADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925635736 711706657 /nfs/dbraw/zinc/70/66/57/711706657.db2.gz OQWPNNVTIZMXLH-LPWJVIDDSA-N 2 0 238.375 1.661 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@@H]1COCC1(C)C ZINC000313051185 711712756 /nfs/dbraw/zinc/71/27/56/711712756.db2.gz QYHVZEGSRMRAIC-LLVKDONJSA-N 2 0 214.353 1.343 20 0 BDADRP CC[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC000925880088 711761833 /nfs/dbraw/zinc/76/18/33/711761833.db2.gz NPYUOFVKTRHVAB-XQHKEYJVSA-N 3 0 225.380 1.234 20 0 BDADRP C[C@@H]1COCC[C@@H]1C[NH2+]CC1CC[NH+](C)CC1 ZINC000894420288 711771471 /nfs/dbraw/zinc/77/14/71/711771471.db2.gz QENSAKPPACRZOP-TZMCWYRMSA-N 2 0 240.391 1.590 20 0 BDADRP CO[C@H]1C[C@@H](C[NH+]2CCC(CC[NH3+])CC2)C1 ZINC000721926387 711937765 /nfs/dbraw/zinc/93/77/65/711937765.db2.gz FRKPTANPSZAJJB-BETUJISGSA-N 2 0 226.364 1.472 20 0 BDADRP C[C@H](CC[NH2+][C@H]1CCO[C@H](C)C1)[NH+](C)C ZINC000700421938 711993041 /nfs/dbraw/zinc/99/30/41/711993041.db2.gz HMOZGDLSJXWKKL-UTUOFQBUSA-N 2 0 214.353 1.484 20 0 BDADRP C[N@@H+]1C[C@@H]2C[NH+](CCC(C)(C)O)C[C@]2(C)C1 ZINC000702284103 712044572 /nfs/dbraw/zinc/04/45/72/712044572.db2.gz DLXUIVQMWNNCDF-YPMHNXCESA-N 2 0 226.364 1.031 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CCSC1 ZINC000704813536 712118181 /nfs/dbraw/zinc/11/81/81/712118181.db2.gz IIEMOSUYGYBFKN-SDDRHHMPSA-N 2 0 228.405 1.847 20 0 BDADRP C[NH+](C)C1(C)CC[NH+](C[C@H](O)C(C)(C)C)CC1 ZINC000709776355 712225228 /nfs/dbraw/zinc/22/52/28/712225228.db2.gz SJPRPNGWSIBXEI-LBPRGKRZSA-N 2 0 242.407 1.810 20 0 BDADRP C[N@H+](CCCCCC[NH3+])C[C@H](O)C(F)(F)F ZINC000710705108 712254808 /nfs/dbraw/zinc/25/48/08/712254808.db2.gz HZXXMIVGFSAXIW-VIFPVBQESA-N 2 0 242.285 1.361 20 0 BDADRP C[NH+](C)C[C@](C)(O)C[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000710895850 712262133 /nfs/dbraw/zinc/26/21/33/712262133.db2.gz HKSKPZAPHCLTQJ-XJFOESAGSA-N 2 0 240.391 1.467 20 0 BDADRP FC[C@@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000711417784 712299500 /nfs/dbraw/zinc/29/95/00/712299500.db2.gz UCOKXKJHDHMZPS-MNOVXSKESA-N 2 0 200.301 1.277 20 0 BDADRP FC[C@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000711456747 712304968 /nfs/dbraw/zinc/30/49/68/712304968.db2.gz UBLUKNRHUGKIRX-LLVKDONJSA-N 2 0 214.328 1.810 20 0 BDADRP C1=C[C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000711758240 712324833 /nfs/dbraw/zinc/32/48/33/712324833.db2.gz HDPUOUBJJLYBIM-XDQVBPFNSA-N 2 0 220.360 1.930 20 0 BDADRP C[N@H+](CCOCC[NH3+])C[C@@H]1CCC(C)(C)CO1 ZINC000713596807 712465883 /nfs/dbraw/zinc/46/58/83/712465883.db2.gz OUWIGCPZUNTVCD-LBPRGKRZSA-N 2 0 244.379 1.099 20 0 BDADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCOC1CC1 ZINC000714970937 712502917 /nfs/dbraw/zinc/50/29/17/712502917.db2.gz PZOSRGOUUMMCLU-YOGCLGLASA-N 2 0 224.348 1.510 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000715554073 712528213 /nfs/dbraw/zinc/52/82/13/712528213.db2.gz UZWAMPRMRAZIPJ-CRWXNKLISA-N 2 0 239.407 1.589 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)CO1 ZINC000715554632 712528331 /nfs/dbraw/zinc/52/83/31/712528331.db2.gz WTKDAKNQHCFVLM-VOAKCMCISA-N 2 0 226.364 1.626 20 0 BDADRP C([NH2+]C1CCC2(CC1)OCCO2)[C@@H]1CCC[NH2+]1 ZINC000715729847 712531378 /nfs/dbraw/zinc/53/13/78/712531378.db2.gz FTHKONZHGGVHFQ-LBPRGKRZSA-N 2 0 240.347 1.014 20 0 BDADRP CCCC[C@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000037229173 712554628 /nfs/dbraw/zinc/55/46/28/712554628.db2.gz KLNJNAKBKCAUMT-AWEZNQCLSA-N 2 0 241.423 1.792 20 0 BDADRP CC1(C)CO[C@@H](C[NH2+]CC2([NH3+])CCC2)C1 ZINC000717654269 712663103 /nfs/dbraw/zinc/66/31/03/712663103.db2.gz DSYBSURSWPXVML-SNVBAGLBSA-N 2 0 212.337 1.273 20 0 BDADRP C[NH2+]CCC[NH+]1CCC(CSC)CC1 ZINC000719297980 712804084 /nfs/dbraw/zinc/80/40/84/712804084.db2.gz GAUFECYLLVJYTN-UHFFFAOYSA-N 2 0 216.394 1.671 20 0 BDADRP CC(C)[NH+]1CCC(N[C@@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000719649982 712820809 /nfs/dbraw/zinc/82/08/09/712820809.db2.gz WKSJGIMEMSQEHL-GXTWGEPZSA-N 2 0 239.407 1.541 20 0 BDADRP COC(C)(C)[C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C ZINC000720184366 712828604 /nfs/dbraw/zinc/82/86/04/712828604.db2.gz KTLPDJWUZCJOTD-NWDGAFQWSA-N 2 0 246.395 1.091 20 0 BDADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1C[C@H](O)C1 ZINC000720951048 712881900 /nfs/dbraw/zinc/88/19/00/712881900.db2.gz HBBLKIMRUJSFMP-XUXIUFHCSA-N 2 0 240.391 1.658 20 0 BDADRP CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000723117399 710726431 /nfs/dbraw/zinc/72/64/31/710726431.db2.gz IAYCMOYTEVUDIU-NDBYEHHHSA-N 2 0 208.349 1.716 20 0 BDADRP CC[C@@H]1C[C@H]1C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000723102817 710726949 /nfs/dbraw/zinc/72/69/49/710726949.db2.gz NHVOPMQJZQCQSQ-GRYCIOLGSA-N 2 0 212.337 1.082 20 0 BDADRP CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000723080921 710727014 /nfs/dbraw/zinc/72/70/14/710727014.db2.gz SGCJCITYQZJFQD-FRRDWIJNSA-N 2 0 208.349 1.718 20 0 BDADRP C1[NH2+][C@@H]2[C@H]([NH2+]C3CCSCC3)[C@H]3C[C@@H]1[C@@H]2C3 ZINC000382061988 710769559 /nfs/dbraw/zinc/76/95/59/710769559.db2.gz PWKMGONNXHMALP-MNSQCTGESA-N 2 0 238.400 1.468 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@@H]1C ZINC000382945708 710976413 /nfs/dbraw/zinc/97/64/13/710976413.db2.gz SCJCZKIDQQJNFZ-RDBSUJKOSA-N 2 0 240.391 1.421 20 0 BDADRP CC[NH+](CC)[C@@H]1CCN(C[C@@H]([NH3+])CC(F)F)C1 ZINC000383320918 710980371 /nfs/dbraw/zinc/98/03/71/710980371.db2.gz CIQQIXCKJDHORX-WDEREUQCSA-N 2 0 249.349 1.385 20 0 BDADRP [NH3+][C@@H](CC(F)F)CN1CCC2(C1)CCOCC2 ZINC000383448198 710981735 /nfs/dbraw/zinc/98/17/35/710981735.db2.gz JDRRUIULMFIUOT-JTQLQIEISA-N 2 0 248.317 1.471 20 0 BDADRP CC(C)([NH3+])CC[NH2+]Cc1cccc(O)c1 ZINC000383909921 710986145 /nfs/dbraw/zinc/98/61/45/710986145.db2.gz FETVWJXOOAFKHU-UHFFFAOYSA-N 2 0 208.305 1.609 20 0 BDADRP C[C@H](CC(C)(C)O)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000385070815 711004592 /nfs/dbraw/zinc/00/45/92/711004592.db2.gz VRMIHODGBDFBNC-KQAFNVIJSA-N 2 0 238.375 1.122 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC[N@@H+]1C ZINC000385477722 711012781 /nfs/dbraw/zinc/01/27/81/711012781.db2.gz DZHWIIFHIKQSNP-CAJFQKGDSA-N 2 0 249.402 1.055 20 0 BDADRP CC(F)(F)CCC[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000390023059 711103974 /nfs/dbraw/zinc/10/39/74/711103974.db2.gz LPAXZYFSLGRFEB-SECBINFHSA-N 2 0 206.280 1.702 20 0 BDADRP CC(F)(F)CCC[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000390023127 711104335 /nfs/dbraw/zinc/10/43/35/711104335.db2.gz LPAXZYFSLGRFEB-VIFPVBQESA-N 2 0 206.280 1.702 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@H](CO)CC(C)(C)C)CC1 ZINC000393500866 711161577 /nfs/dbraw/zinc/16/15/77/711161577.db2.gz YNRZZIIPDUTWKU-CYBMUJFWSA-N 2 0 242.407 1.715 20 0 BDADRP C(CC1CC1)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000394504536 711193630 /nfs/dbraw/zinc/19/36/30/711193630.db2.gz UAZLSXCWYSZRJM-CYBMUJFWSA-N 2 0 208.349 1.862 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@H](CCO)C1CC1 ZINC000393775702 711173895 /nfs/dbraw/zinc/17/38/95/711173895.db2.gz KIXKAPUYEAXBSS-CYBMUJFWSA-N 2 0 228.380 1.469 20 0 BDADRP CSCC[C@H](C)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000393950992 711180288 /nfs/dbraw/zinc/18/02/88/711180288.db2.gz XBWBNJQVHQYMJF-RJRAAQABSA-N 2 0 240.416 1.714 20 0 BDADRP C[C@@H]([NH2+]CCC(C)(C)[NH3+])C1CC[NH+](C)CC1 ZINC000396466404 711220915 /nfs/dbraw/zinc/22/09/15/711220915.db2.gz SZQXLLGACZAKQK-LLVKDONJSA-N 3 0 227.396 1.434 20 0 BDADRP C[C@H]([NH2+]Cc1ncccn1)C1CC[NH+](C)CC1 ZINC000396469685 711221404 /nfs/dbraw/zinc/22/14/04/711221404.db2.gz ROQAFOLVJBTPDQ-NSHDSACASA-N 2 0 234.347 1.297 20 0 BDADRP CC[N@H+](CCN[C@@H]1CCC[NH2+][C@@H]1C)C1CC1 ZINC000396581834 711357072 /nfs/dbraw/zinc/35/70/72/711357072.db2.gz FQTWMVDNJJIFJR-DGCLKSJQSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@H]1[NH2+]CCC[C@H]1NCCC[NH+]1CCCCC1 ZINC000396576435 711358087 /nfs/dbraw/zinc/35/80/87/711358087.db2.gz CPPCMHISZROMOL-ZIAGYGMSSA-N 2 0 239.407 1.593 20 0 BDADRP C[C@@H]1NCCC[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000396602698 711359369 /nfs/dbraw/zinc/35/93/69/711359369.db2.gz BJGRAVNUFKNLLE-RYUDHWBXSA-N 2 0 213.369 1.058 20 0 BDADRP C[C@H]1[NH2+]CCC[C@@H]1NCC[N@H+](C)C1CCCC1 ZINC000396595156 711359755 /nfs/dbraw/zinc/35/97/55/711359755.db2.gz LGNBXGOBDQHDTD-OCCSQVGLSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@H]1NCCC[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000396715117 711367004 /nfs/dbraw/zinc/36/70/04/711367004.db2.gz QYNAHYUXEHZIBP-DGCLKSJQSA-N 2 0 225.380 1.058 20 0 BDADRP C[N@H+](C[C@@H]1CCOC1)C[C@@]1(C)CCC[NH2+]C1 ZINC000398879134 711416094 /nfs/dbraw/zinc/41/60/94/711416094.db2.gz GSPFETAAMVEQQJ-STQMWFEESA-N 2 0 226.364 1.344 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H](CO)C2CC2)CC1 ZINC000381321214 710621289 /nfs/dbraw/zinc/62/12/89/710621289.db2.gz OUYXPXBINZAMQW-ZDUSSCGKSA-N 2 0 226.364 1.221 20 0 BDADRP Cc1ccc(OCC[N@@H+](C)C2CC([NH3+])C2)cc1 ZINC000384995312 711002905 /nfs/dbraw/zinc/00/29/05/711002905.db2.gz LEGWWRVWJKQEPI-UHFFFAOYSA-N 2 0 234.343 1.795 20 0 BDADRP C[N@H+](CCCC1CC1)CCN1CC[NH2+]CC1 ZINC000394578123 711195033 /nfs/dbraw/zinc/19/50/33/711195033.db2.gz XNJUNADNSOFXJB-UHFFFAOYSA-N 2 0 225.380 1.014 20 0 BDADRP CCCCOCCC[NH2+][C@H]1CCCN[C@@H]1C ZINC000396638318 711362196 /nfs/dbraw/zinc/36/21/96/711362196.db2.gz LZUUOTHJXCEISR-OLZOCXBDSA-N 2 0 228.380 1.923 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1NC[C@H]1CCC[N@H+](C)C1 ZINC000396722086 711368392 /nfs/dbraw/zinc/36/83/92/711368392.db2.gz UISSNAOLXZGOLH-YNEHKIRRSA-N 2 0 225.380 1.058 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCOC(F)F ZINC000398128809 711401664 /nfs/dbraw/zinc/40/16/64/711401664.db2.gz IQORTGBKYPWSBY-QMMMGPOBSA-N 2 0 222.279 1.203 20 0 BDADRP C[C@@H](CC[NH+](C)C)NC(=O)c1cccc(C[NH3+])c1 ZINC000049551619 711448727 /nfs/dbraw/zinc/44/87/27/711448727.db2.gz VEUUVPXKDNLNMC-NSHDSACASA-N 2 0 249.358 1.215 20 0 BDADRP CCN1CC[C@H]1C[NH2+]CC1CC[NH+](C)CC1 ZINC000712554420 711472639 /nfs/dbraw/zinc/47/26/39/711472639.db2.gz BZMGKMYFFSSKKS-ZDUSSCGKSA-N 2 0 225.380 1.012 20 0 BDADRP C1CC([NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)CC[NH2+]1 ZINC000723648563 711530065 /nfs/dbraw/zinc/53/00/65/711530065.db2.gz VROGWZWZKJEUOG-MBNYWOFBSA-N 2 0 238.375 1.533 20 0 BDADRP CCC[C@@H](C(=O)OCC)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723711970 711535879 /nfs/dbraw/zinc/53/58/79/711535879.db2.gz BWEPGFUHDIDAEV-RYUDHWBXSA-N 2 0 242.363 1.389 20 0 BDADRP Cc1ccc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)nc1 ZINC000723713108 711536067 /nfs/dbraw/zinc/53/60/67/711536067.db2.gz SLLCVJHPLVRCGN-GFCCVEGCSA-N 2 0 219.332 1.561 20 0 BDADRP CO[C@H]1CC[C@@H]1[N@H+](C)CCC[NH2+]C1CC1 ZINC000724177177 711566952 /nfs/dbraw/zinc/56/69/52/711566952.db2.gz BULJQMNRPBEHRN-RYUDHWBXSA-N 2 0 212.337 1.238 20 0 BDADRP Cc1cc(C)nc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000723877633 711542381 /nfs/dbraw/zinc/54/23/81/711542381.db2.gz XFQXPGWXACRGEK-CHWSQXEVSA-N 2 0 233.359 1.868 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)C1 ZINC000723887928 711543932 /nfs/dbraw/zinc/54/39/32/711543932.db2.gz ZLRSAJYYRLNUDK-LPWJVIDDSA-N 2 0 226.364 1.328 20 0 BDADRP CC[C@H]([NH2+][C@H](C)C1C[NH2+]C1)[C@@H]1CCCOC1 ZINC000724013346 711556020 /nfs/dbraw/zinc/55/60/20/711556020.db2.gz QETODOALOSGDEU-WZRBSPASSA-N 2 0 226.364 1.389 20 0 BDADRP Cc1nc(C)c(C[NH2+]C(C)(C)CN(C)C)[nH]1 ZINC000724790034 711614860 /nfs/dbraw/zinc/61/48/60/711614860.db2.gz INRWDWFJLJZJEF-UHFFFAOYSA-N 2 0 224.352 1.456 20 0 BDADRP Cc1nc(C)c(C[NH2+][C@@H](CO)c2ccccc2)[nH]1 ZINC000724790225 711615025 /nfs/dbraw/zinc/61/50/25/711615025.db2.gz NEBLYGKMSXCEMN-AWEZNQCLSA-N 2 0 245.326 1.850 20 0 BDADRP CC1(C)[C@@H]([NH2+]C[C@@H]2CCCO2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925503002 711692878 /nfs/dbraw/zinc/69/28/78/711692878.db2.gz MJKVLGJZSSXZSG-RNJOBUHISA-N 2 0 238.375 1.532 20 0 BDADRP [NH3+]CCC[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccccc1 ZINC000925700942 711710563 /nfs/dbraw/zinc/71/05/63/711710563.db2.gz XQFWMKTZCICUAX-GJZGRUSLSA-N 3 0 247.386 1.794 20 0 BDADRP CC[C@H]([NH3+])CN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925711845 711711871 /nfs/dbraw/zinc/71/18/71/711711871.db2.gz SQPMYGGTJPAABH-HBNTYKKESA-N 2 0 213.369 1.219 20 0 BDADRP C[N@H+](C[C@@H]1CCCOC1)C[C@]1(C)CC[NH2+]C1 ZINC000082545716 711716674 /nfs/dbraw/zinc/71/66/74/711716674.db2.gz KBAPCZLUZXITHJ-QWHCGFSZSA-N 2 0 226.364 1.344 20 0 BDADRP CCC1([NH3+])CCN([C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000925759856 711735960 /nfs/dbraw/zinc/73/59/60/711735960.db2.gz IUBJYMHAEGMCJV-QSLWVIQJSA-N 2 0 249.402 1.186 20 0 BDADRP CN(C)c1cc[nH+]c(CN[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000925814300 711754800 /nfs/dbraw/zinc/75/48/00/711754800.db2.gz KFRWHDCPZXPVSK-NWDGAFQWSA-N 2 0 248.374 1.507 20 0 BDADRP C[C@H]([NH2+]C[C@]12C[C@H]1CCC2)[C@H]1CC[NH2+]C1 ZINC000925880005 711762127 /nfs/dbraw/zinc/76/21/27/711762127.db2.gz FVRFSGAGJNOYBO-RVMXOQNASA-N 2 0 208.349 1.764 20 0 BDADRP C[C@H]1C[N@H+](CC2CCOCC2)CC[C@H]1C[NH3+] ZINC000251693907 711764203 /nfs/dbraw/zinc/76/42/03/711764203.db2.gz ILFNAAFORSEAOE-AAEUAGOBSA-N 2 0 226.364 1.330 20 0 BDADRP CC(C)(O)CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401060940 711793441 /nfs/dbraw/zinc/79/34/41/711793441.db2.gz JKSONVGBCJSMJM-IJLUTSLNSA-N 2 0 226.364 1.125 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@H](COC)C(C)C)C1 ZINC000721914740 711918145 /nfs/dbraw/zinc/91/81/45/711918145.db2.gz SJVJJXTZBNYODV-QWHCGFSZSA-N 2 0 228.380 1.446 20 0 BDADRP C[C@H](CC[NH2+][C@@H]1CCCSC1)[NH+](C)C ZINC000700490161 711994346 /nfs/dbraw/zinc/99/43/46/711994346.db2.gz YHTSFEPBMUQARA-GHMZBOCLSA-N 2 0 216.394 1.812 20 0 BDADRP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000701019088 712012508 /nfs/dbraw/zinc/01/25/08/712012508.db2.gz LIFJUDNSRUJQMB-GFQSEFKGSA-N 2 0 240.391 1.730 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@]1(C)CC1(C)C ZINC000701988601 712034894 /nfs/dbraw/zinc/03/48/94/712034894.db2.gz UTXFEZRVFORSEF-WCQYABFASA-N 2 0 228.380 1.766 20 0 BDADRP FC1(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CCC1 ZINC000702479982 712054223 /nfs/dbraw/zinc/05/42/23/712054223.db2.gz RAGXACHCIJHMSZ-JZRPKSSGSA-N 2 0 238.350 1.855 20 0 BDADRP C[C@@H]([NH2+]C1CCC(C)(O)CC1)[C@H]1CCC[NH2+]1 ZINC000703603085 712081815 /nfs/dbraw/zinc/08/18/15/712081815.db2.gz CJLWYCXSJDIRFL-CQLXCSJHSA-N 2 0 226.364 1.410 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000705164023 712124673 /nfs/dbraw/zinc/12/46/73/712124673.db2.gz DMGLUGNGBLJOLF-MCIONIFRSA-N 3 0 239.407 1.116 20 0 BDADRP CCOC[C@H]1CC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000707525824 712171634 /nfs/dbraw/zinc/17/16/34/712171634.db2.gz UAPFHVKRKRXLPP-KBPBESRZSA-N 2 0 240.391 1.735 20 0 BDADRP CC1(C)CO[C@H](C[NH+]2CCC(C[NH3+])CC2)C1 ZINC000708331508 712187691 /nfs/dbraw/zinc/18/76/91/712187691.db2.gz NJBZHTKTCTYWOC-LBPRGKRZSA-N 2 0 226.364 1.472 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H](C)O1 ZINC000708390164 712191651 /nfs/dbraw/zinc/19/16/51/712191651.db2.gz QOMQXTGLBKHLGW-WISYIIOYSA-N 2 0 212.337 1.223 20 0 BDADRP C[C@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@H]1C[NH3+] ZINC000708851949 712201614 /nfs/dbraw/zinc/20/16/14/712201614.db2.gz GMZYKURPMVGZOP-IACUBPJLSA-N 2 0 234.343 1.247 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@@H]1C[C@H]3C[C@H]3C1)[NH2+]2 ZINC000709440456 712222069 /nfs/dbraw/zinc/22/20/69/712222069.db2.gz UQHYQVQROPLFFT-YJIVIRPOSA-N 2 0 220.360 1.904 20 0 BDADRP C[NH+](C)C1(C)CC[NH+](CCCCCCO)CC1 ZINC000709780329 712226854 /nfs/dbraw/zinc/22/68/54/712226854.db2.gz HVVAPVNVJNMCQE-UHFFFAOYSA-N 2 0 242.407 1.955 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCc2ccns2)CC[N@@H+]1C ZINC000709826015 712228735 /nfs/dbraw/zinc/22/87/35/712228735.db2.gz OSWSUXXEHZAVER-QWRGUYRKSA-N 2 0 239.388 1.758 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCc1ccns1 ZINC000709825440 712228854 /nfs/dbraw/zinc/22/88/54/712228854.db2.gz MQUXAZDMRRMGPH-LLVKDONJSA-N 2 0 239.388 1.663 20 0 BDADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCO[C@H]1CC1(F)F)C2 ZINC000709882687 712230616 /nfs/dbraw/zinc/23/06/16/712230616.db2.gz QTZYXAZUZNYJNO-NAKRPEOUSA-N 2 0 246.301 1.222 20 0 BDADRP C[NH+](C)CC1(O)CC[NH+](CCCC2CC2)CC1 ZINC000710571832 712254275 /nfs/dbraw/zinc/25/42/75/712254275.db2.gz WUSNOMCBCLQPCV-UHFFFAOYSA-N 2 0 240.391 1.565 20 0 BDADRP C[NH+](C)CC1(O)CC[NH+](CCC2CCC2)CC1 ZINC000710572681 712263594 /nfs/dbraw/zinc/26/35/94/712263594.db2.gz FWSBBORPAICGFC-UHFFFAOYSA-N 2 0 240.391 1.565 20 0 BDADRP C[C@@H]1NC[C@H](C)[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H]1C ZINC000923435002 712321966 /nfs/dbraw/zinc/32/19/66/712321966.db2.gz CUNQWPPCVADDEK-NWBUJAPZSA-N 2 0 225.380 1.185 20 0 BDADRP C[C@@H]1CCC[N@H+](CCOC2CC2)[C@@H]1CC[NH3+] ZINC000711776980 712328822 /nfs/dbraw/zinc/32/88/22/712328822.db2.gz PYLSVRUHZMWSLJ-DGCLKSJQSA-N 2 0 226.364 1.615 20 0 BDADRP C(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)OC1CC1 ZINC000711786895 712330490 /nfs/dbraw/zinc/33/04/90/712330490.db2.gz QGOOEFUQTDQOSH-CYBMUJFWSA-N 2 0 224.348 1.241 20 0 BDADRP C[C@@H](c1ncccn1)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923479451 712334264 /nfs/dbraw/zinc/33/42/64/712334264.db2.gz PBCSEKUUSRAOMI-WDEREUQCSA-N 2 0 220.320 1.208 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923479440 712334353 /nfs/dbraw/zinc/33/43/53/712334353.db2.gz OXGISVTZDVYDKM-SDDRHHMPSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCC3(CCC3)O2)C[C@H]1C[NH3+] ZINC000712483855 712379036 /nfs/dbraw/zinc/37/90/36/712379036.db2.gz DBOHCYYENRUFQO-UPJWGTAASA-N 2 0 238.375 1.615 20 0 BDADRP C[N@H+](CCC[NH3+])C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000721439875 712390420 /nfs/dbraw/zinc/39/04/20/712390420.db2.gz ZZBBAYYRZKJBDN-BDAKNGLRSA-N 2 0 240.269 1.377 20 0 BDADRP CCN1CC[C@@H]1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000712581730 712433397 /nfs/dbraw/zinc/43/33/97/712433397.db2.gz NSJVOPDBIAWRDN-HZSPNIEDSA-N 2 0 237.391 1.297 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@@H]2CCN2CC)CC1 ZINC000712584871 712434072 /nfs/dbraw/zinc/43/40/72/712434072.db2.gz CEZDBBPLLRRODM-AWEZNQCLSA-N 2 0 239.407 1.545 20 0 BDADRP CCSCC[N@@H+]1CC[NH2+]CCC1(C)C ZINC000712539301 712443313 /nfs/dbraw/zinc/44/33/13/712443313.db2.gz AHPMFWBTSMUAOQ-UHFFFAOYSA-N 2 0 216.394 1.813 20 0 BDADRP C(C[N@@H+]1CC[NH2+]CCC12CCC2)[C@H]1CCCO1 ZINC000713219040 712455162 /nfs/dbraw/zinc/45/51/62/712455162.db2.gz XEEPRVLJJVERCB-CYBMUJFWSA-N 2 0 238.375 1.774 20 0 BDADRP C(C1CCOCC1)[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000713209486 712455335 /nfs/dbraw/zinc/45/53/35/712455335.db2.gz AVSHLNHFFWNRRX-UHFFFAOYSA-N 2 0 238.375 1.631 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](C[C@@H]2CCC(C)(C)CO2)C1 ZINC000713585667 712466123 /nfs/dbraw/zinc/46/61/23/712466123.db2.gz KSMLQNWNSIQRDJ-OLZOCXBDSA-N 2 0 240.391 1.733 20 0 BDADRP CC1(C)CC[C@@H](C[N@@H+]2CC[C@@H](CC[NH3+])C2)OC1 ZINC000713597984 712466166 /nfs/dbraw/zinc/46/61/66/712466166.db2.gz XFJLLBSZHJKWCM-OLZOCXBDSA-N 2 0 240.391 1.862 20 0 BDADRP CC1(C)CC[C@@H](C[N@@H+]2CCC[C@H](C[NH3+])C2)OC1 ZINC000713586208 712466421 /nfs/dbraw/zinc/46/64/21/712466421.db2.gz MEPMXBGKDQRULX-OLZOCXBDSA-N 2 0 240.391 1.862 20 0 BDADRP C=C/C=C\CC[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000713751698 712471533 /nfs/dbraw/zinc/47/15/33/712471533.db2.gz ZXMXYLCVSNPBKW-NQHOJNORSA-N 2 0 235.375 1.098 20 0 BDADRP CC1(C)CCC[C@@H](C[NH+]2CCC([NH3+])CC2)O1 ZINC000714368594 712483729 /nfs/dbraw/zinc/48/37/29/712483729.db2.gz NYCMFKMKDLPTKQ-LBPRGKRZSA-N 2 0 226.364 1.757 20 0 BDADRP COC[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000714444217 712489140 /nfs/dbraw/zinc/48/91/40/712489140.db2.gz RWACTOFEIOCEDQ-YIYPIFLZSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@H](CCO)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715229010 712513852 /nfs/dbraw/zinc/51/38/52/712513852.db2.gz QIIWDJOZOOKELA-PNESKVBLSA-N 2 0 228.380 1.610 20 0 BDADRP C[C@@H](CC(N)=O)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715250795 712514536 /nfs/dbraw/zinc/51/45/36/712514536.db2.gz BBBLYWQEYKKPGR-ZBOXLXRLSA-N 2 0 241.379 1.103 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)C2CC2)C1 ZINC000715291466 712515858 /nfs/dbraw/zinc/51/58/58/712515858.db2.gz IJTUSWLADMRTCI-XQQFMLRXSA-N 2 0 226.364 1.220 20 0 BDADRP C([C@H]1CC[C@@H](C2CC2)O1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000715492794 712523575 /nfs/dbraw/zinc/52/35/75/712523575.db2.gz AJNBDOILBMXFHR-RQJABVFESA-N 2 0 236.359 1.095 20 0 BDADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cnccn1 ZINC000715511903 712524754 /nfs/dbraw/zinc/52/47/54/712524754.db2.gz XRAWYFSCFYPUTG-PNESKVBLSA-N 2 0 248.374 2.000 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](CCOC(F)F)C[C@H]1C[NH3+] ZINC000852752479 712612840 /nfs/dbraw/zinc/61/28/40/712612840.db2.gz ZZRCWDWOYSCHFP-KXUCPTDWSA-N 2 0 236.306 1.531 20 0 BDADRP C[C@H](C[C@H]1COCCN1)[NH2+]C[C@H]1CCC=CO1 ZINC000379974989 712643169 /nfs/dbraw/zinc/64/31/69/712643169.db2.gz FPKUORDFNMGWQP-FRRDWIJNSA-N 2 0 240.347 1.036 20 0 BDADRP CC1(C)CO[C@H](C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000717283748 712644624 /nfs/dbraw/zinc/64/46/24/712644624.db2.gz FRKWUWJCMLOXFR-TUAOUCFPSA-N 2 0 226.364 1.661 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC000717614026 712662548 /nfs/dbraw/zinc/66/25/48/712662548.db2.gz LCLSFRBJQFLHEE-AXFHLTTASA-N 2 0 226.364 1.517 20 0 BDADRP Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000222950050 712670516 /nfs/dbraw/zinc/67/05/16/712670516.db2.gz OLFCCVGRNYYJCG-WZRBSPASSA-N 2 0 248.374 1.657 20 0 BDADRP CO[C@@H]1CCC[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000380060960 712684455 /nfs/dbraw/zinc/68/44/55/712684455.db2.gz ZNCGMKKQCJHCFY-NWDGAFQWSA-N 2 0 214.353 1.485 20 0 BDADRP CC(F)(F)CCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000718721330 712778831 /nfs/dbraw/zinc/77/88/31/712778831.db2.gz GJSLTZAEDARGBZ-NXEZZACHSA-N 2 0 218.291 1.573 20 0 BDADRP c1ccc2c(c1)OC[C@H](C[NH2+]C1CC[NH2+]CC1)O2 ZINC000038040705 712801329 /nfs/dbraw/zinc/80/13/29/712801329.db2.gz SRWDPIQRFCTERK-LBPRGKRZSA-N 2 0 248.326 1.168 20 0 BDADRP C[C@@H]1[C@H](N[C@H]2CC[NH+]3CCC[C@H]3C2)CC[N@@H+]1C ZINC000719611181 712816602 /nfs/dbraw/zinc/81/66/02/712816602.db2.gz DTGJHFIEKIQCIM-ZOBORPQBSA-N 2 0 237.391 1.295 20 0 BDADRP C[C@@H]1[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@@H+]1C ZINC000719620162 712817416 /nfs/dbraw/zinc/81/74/16/712817416.db2.gz VEWMMZWNKFZYGI-RKFYDKJMSA-N 2 0 237.391 1.294 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)CCO1 ZINC000719784809 712824376 /nfs/dbraw/zinc/82/43/76/712824376.db2.gz YZUSZZUQSSPZJJ-VXGBXAGGSA-N 2 0 212.337 1.097 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000720754987 712863616 /nfs/dbraw/zinc/86/36/16/712863616.db2.gz HOHIVOKHQKHSAF-LBPRGKRZSA-N 2 0 246.354 1.792 20 0 BDADRP CN(C[C@@H]1C[C@H]2CCC[C@@H]2O1)CC(C)(C)[NH3+] ZINC000720792045 712865974 /nfs/dbraw/zinc/86/59/74/712865974.db2.gz BUYUPFOTPTUETQ-WOPDTQHZSA-N 2 0 226.364 1.613 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)C1 ZINC000720820798 712868951 /nfs/dbraw/zinc/86/89/51/712868951.db2.gz NJRIGZFFLYHBJZ-MQYQWHSLSA-N 2 0 238.375 1.615 20 0 BDADRP [NH3+]C1CC[NH+](C[C@@H]2C[C@H]3CCC[C@H]3O2)CC1 ZINC000720849273 712870816 /nfs/dbraw/zinc/87/08/16/712870816.db2.gz YOTWFJHHOAXJJZ-KGYLQXTDSA-N 2 0 224.348 1.367 20 0 BDADRP [NH3+]C1CC[NH+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC1 ZINC000720849271 712870872 /nfs/dbraw/zinc/87/08/72/712870872.db2.gz YOTWFJHHOAXJJZ-DRZSPHRISA-N 2 0 224.348 1.367 20 0 BDADRP C[N@H+](CCC[NH3+])C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000720868392 712872254 /nfs/dbraw/zinc/87/22/54/712872254.db2.gz XWFCJEUDSXMGGX-SRVKXCTJSA-N 2 0 212.337 1.225 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)C1 ZINC000720870797 712872266 /nfs/dbraw/zinc/87/22/66/712872266.db2.gz LPTZYMWRLUTZQS-ZOBORPQBSA-N 2 0 238.375 1.615 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)C1 ZINC000720875887 712872717 /nfs/dbraw/zinc/87/27/17/712872717.db2.gz XYCXBTIIDFWRDX-ZSLBOAEBSA-N 2 0 238.375 1.613 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)C1 ZINC000720875885 712873072 /nfs/dbraw/zinc/87/30/72/712873072.db2.gz XYCXBTIIDFWRDX-PDWCTOEPSA-N 2 0 238.375 1.613 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](C[C@@H]2C[C@H]3CCC[C@H]3O2)C1 ZINC000720873532 712873379 /nfs/dbraw/zinc/87/33/79/712873379.db2.gz QNLUBGZUGDVYCV-RFQIPJPRSA-N 2 0 238.375 1.615 20 0 BDADRP Cc1c[nH+]c(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1N ZINC001164638104 719229685 /nfs/dbraw/zinc/22/96/85/719229685.db2.gz NFYUKROZCKPCQO-GHMZBOCLSA-N 2 0 234.347 1.501 20 0 BDADRP CC1(C)C[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)CO1 ZINC000396511152 956897916 /nfs/dbraw/zinc/89/79/16/956897916.db2.gz XMPJXJIZPQHECS-MNOVXSKESA-N 2 0 212.337 1.143 20 0 BDADRP C[NH+](C)Cc1ccnc(N2CC[C@H]3C[C@@]3([NH3+])C2)c1 ZINC001164418900 718896706 /nfs/dbraw/zinc/89/67/06/718896706.db2.gz GLUSXLLMFBFYGA-GXTWGEPZSA-N 2 0 246.358 1.071 20 0 BDADRP Cc1cnc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c(C[NH3+])c1 ZINC001164633416 719225315 /nfs/dbraw/zinc/22/53/15/719225315.db2.gz DLRKJXDEKNQHQC-RYUDHWBXSA-N 2 0 248.374 1.378 20 0 BDADRP Cc1c[nH+]c(N(C)CC2CC[NH+](C)CC2)cc1N ZINC000133199664 721936219 /nfs/dbraw/zinc/93/62/19/721936219.db2.gz UJWJMJWVEVHEGT-UHFFFAOYSA-N 2 0 248.374 1.750 20 0 BDADRP CCN1CCC[N@H+](CC2CC[NH+](C)CC2)CC1 ZINC001207391274 959624917 /nfs/dbraw/zinc/62/49/17/959624917.db2.gz ARFRMPLWMXWREM-UHFFFAOYSA-N 2 0 239.407 1.356 20 0 BDADRP C[C@H]1C[N@@H+]([C@@H]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000708876883 960011150 /nfs/dbraw/zinc/01/11/50/960011150.db2.gz YBFIBKKXXOYUNK-YYHQMBLXSA-N 2 0 226.364 1.469 20 0 BDADRP CCC[N@H+](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001268742204 962330975 /nfs/dbraw/zinc/33/09/75/962330975.db2.gz FLCLPZYAOPUCNY-LBPRGKRZSA-N 2 0 243.395 1.175 20 0 BDADRP CC[N@H+](C1CCN(C)CC1)[C@H]1CCO[C@H](C)C1 ZINC001168127674 963803662 /nfs/dbraw/zinc/80/36/62/963803662.db2.gz IBSYGHHMDNIJTP-OCCSQVGLSA-N 2 0 240.391 1.970 20 0 BDADRP CSCc1ccnc(N[C@H]([NH3+])CCC[NH3+])c1 ZINC001159788433 964198492 /nfs/dbraw/zinc/19/84/92/964198492.db2.gz IIYWRZJUBSJOGY-JTQLQIEISA-N 2 0 240.376 1.380 20 0 BDADRP C[C@H](CC[NH2+]CCCc1cnn(C)c1)[NH+](C)C ZINC000697871139 964598225 /nfs/dbraw/zinc/59/82/25/964598225.db2.gz NWTDRGVCFDSQGA-GFCCVEGCSA-N 2 0 238.379 1.283 20 0 BDADRP C[C@@H](CC[NH2+][C@@H](C)[C@@H]1CCCO1)[NH+](C)C ZINC000697892051 964650965 /nfs/dbraw/zinc/65/09/65/964650965.db2.gz ZJQZVDWINFLJPI-SRVKXCTJSA-N 2 0 214.353 1.484 20 0 BDADRP C[NH+](C)CCCCNc1ccnc(C[NH3+])c1 ZINC001161731072 964714364 /nfs/dbraw/zinc/71/43/64/964714364.db2.gz ZONQASUGJWDWTH-UHFFFAOYSA-N 2 0 222.336 1.294 20 0 BDADRP C[C@H]([NH2+][C@H]1CCN(C)C1)C1CC[NH+](C)CC1 ZINC000042545374 964825552 /nfs/dbraw/zinc/82/55/52/964825552.db2.gz QDIKSJKPYLOFQK-AAEUAGOBSA-N 2 0 225.380 1.010 20 0 BDADRP C[NH+]1CCCC[C@@H]1CO[C@H]1CCC[N@@H+](C)C1 ZINC001224701126 964887261 /nfs/dbraw/zinc/88/72/61/964887261.db2.gz CZBUEFKQVDPKJK-OLZOCXBDSA-N 2 0 226.364 1.582 20 0 BDADRP C[NH+](C)CCN1CC2(CC[N@@H+]2C2CCCC2)C1 ZINC001276463185 966997506 /nfs/dbraw/zinc/99/75/06/966997506.db2.gz DGUKKKSIXHWVCR-UHFFFAOYSA-N 2 0 237.391 1.251 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2[C@@H](C)CC[C@H]2CN)CC1 ZINC001205058703 967315427 /nfs/dbraw/zinc/31/54/27/967315427.db2.gz RYYBWTIRYSGPAU-JSGCOSHPSA-N 2 0 239.407 1.530 20 0 BDADRP CS[C@@H](C)CC[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205094819 967338351 /nfs/dbraw/zinc/33/83/51/967338351.db2.gz QKZQCTUTWIIATB-WDEREUQCSA-N 2 0 216.394 1.941 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+]CC[C@@H](C)[NH+](C)C)C1 ZINC000697910330 968155702 /nfs/dbraw/zinc/15/57/02/968155702.db2.gz SUQWLCYSIBQAJU-JHJVBQTASA-N 2 0 228.380 1.874 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@H+](CC2CCOCC2)CC1 ZINC001206297652 968205688 /nfs/dbraw/zinc/20/56/88/968205688.db2.gz ZFPJPYNRVQQGDP-CQSZACIVSA-N 2 0 240.391 1.864 20 0 BDADRP [NH3+]C[C@H]1C[N@H+](CCC2CCCCC2)C[C@@H]1O ZINC001206506817 968342920 /nfs/dbraw/zinc/34/29/20/968342920.db2.gz RJTJSTNAFBGXFA-STQMWFEESA-N 2 0 226.364 1.208 20 0 BDADRP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@H](CCO)C1 ZINC001207283404 968716130 /nfs/dbraw/zinc/71/61/30/968716130.db2.gz XXDNIXYDDPSXJA-CYBMUJFWSA-N 2 0 242.407 1.669 20 0 BDADRP C[NH+]1CCC(C[N@H+]2CC[C@@H](F)[C@@H](O)CC2)CC1 ZINC001207391954 968744575 /nfs/dbraw/zinc/74/45/75/968744575.db2.gz RPKRTYKEKUNYIB-OLZOCXBDSA-N 2 0 244.354 1.123 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+](C[C@@H]1CCCOC1)CC2 ZINC001207471535 968781479 /nfs/dbraw/zinc/78/14/79/968781479.db2.gz PEFNMBKVIWISAO-ZDUSSCGKSA-N 2 0 238.375 1.441 20 0 BDADRP CC[C@H]1COCC[N@@H+]1CCC1CC[NH+](C)CC1 ZINC001207486566 968798398 /nfs/dbraw/zinc/79/83/98/968798398.db2.gz KMXVXGCBYMZJDR-AWEZNQCLSA-N 2 0 240.391 1.829 20 0 BDADRP C[NH+]1CCC(C)(C[N@@H+]2CC[C@]23CCOC3)CC1 ZINC001208110337 969007593 /nfs/dbraw/zinc/00/75/93/969007593.db2.gz AVIMJBFWTJUABV-CQSZACIVSA-N 2 0 238.375 1.583 20 0 BDADRP CC[NH+](CC)C[C@H](O)C[NH2+]C1[C@@H](C)CC[C@@H]1C ZINC001253216357 969115627 /nfs/dbraw/zinc/11/56/27/969115627.db2.gz MBOSKXVZGBRBGX-RWMBFGLXSA-N 2 0 242.407 1.713 20 0 BDADRP CC[NH+]1CCC(C[N@H+](C)Cc2ccno2)CC1 ZINC001208602464 969149600 /nfs/dbraw/zinc/14/96/00/969149600.db2.gz FDZYXSBEZVXWRS-UHFFFAOYSA-N 2 0 237.347 1.838 20 0 BDADRP C[C@H]1COCC[N@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208607907 969162986 /nfs/dbraw/zinc/16/29/86/969162986.db2.gz NUXNRRMEFDHZDV-CHWSQXEVSA-N 2 0 226.364 1.297 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2CCC[NH+](C)C2)C[C@]1(C)O ZINC001208606850 969166104 /nfs/dbraw/zinc/16/61/04/969166104.db2.gz HVRZWTCHFREGOG-MCIONIFRSA-N 2 0 240.391 1.421 20 0 BDADRP CCC[NH+]1CCN(C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001208608073 969167045 /nfs/dbraw/zinc/16/70/45/969167045.db2.gz FOMWXBHLKWYDJO-CQSZACIVSA-N 2 0 239.407 1.356 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@H]2CCC[NH+](C)C2)C[C@@]1(C)O ZINC001208606849 969165777 /nfs/dbraw/zinc/16/57/77/969165777.db2.gz HVRZWTCHFREGOG-HZSPNIEDSA-N 2 0 240.391 1.421 20 0 BDADRP CC(C)[C@@H](O)C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001253765474 969384113 /nfs/dbraw/zinc/38/41/13/969384113.db2.gz XZMKCLFBNARHOK-LBPRGKRZSA-N 2 0 226.364 1.031 20 0 BDADRP CC(C)[C@H](O)C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001253765473 969384633 /nfs/dbraw/zinc/38/46/33/969384633.db2.gz XZMKCLFBNARHOK-GFCCVEGCSA-N 2 0 226.364 1.031 20 0 BDADRP CO[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169099126 969392833 /nfs/dbraw/zinc/39/28/33/969392833.db2.gz NTYKRDFNCCTRQQ-UMBVQODESA-N 2 0 224.348 1.379 20 0 BDADRP CCCOCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169091675 969408822 /nfs/dbraw/zinc/40/88/22/969408822.db2.gz UNVFMZZTKPDVHH-CLLJXQQHSA-N 2 0 226.364 1.628 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCCOC1)C2 ZINC001169092265 969413647 /nfs/dbraw/zinc/41/36/47/969413647.db2.gz AXVDXSJFWAVAJL-LPWJVIDDSA-N 2 0 224.348 1.380 20 0 BDADRP C[N@H+]([C@H]1CCCOC1)[C@@H]1CCC[NH+](C)CC1 ZINC001254533635 969734596 /nfs/dbraw/zinc/73/45/96/969734596.db2.gz NZTGRQCNSBOHIJ-OLZOCXBDSA-N 2 0 226.364 1.582 20 0 BDADRP CCCC[C@H](C)[NH2+]CCN(C)CC[NH3+] ZINC001255315462 970084800 /nfs/dbraw/zinc/08/48/00/970084800.db2.gz LYQFGTLECNEASP-NSHDSACASA-N 2 0 201.358 1.045 20 0 BDADRP C[C@@H](C[NH2+][C@@H]1CCN(C)C1)CC(C)(C)CC[NH3+] ZINC001255422406 970144732 /nfs/dbraw/zinc/14/47/32/970144732.db2.gz XRBBLWLFUUUQIP-CHWSQXEVSA-N 2 0 241.423 1.681 20 0 BDADRP CC(C)N(CCC[NH3+])[C@H]1CCC[N@H+](C)C1 ZINC001255468904 970195717 /nfs/dbraw/zinc/19/57/17/970195717.db2.gz ZMMMLPYLDFADAU-LBPRGKRZSA-N 2 0 213.369 1.140 20 0 BDADRP C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1(C)C ZINC001255489556 970246588 /nfs/dbraw/zinc/24/65/88/970246588.db2.gz PESICASHXGDZHA-GFCCVEGCSA-N 2 0 225.380 1.107 20 0 BDADRP CC1(C)C[C@@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])CCO1 ZINC001255534029 970297155 /nfs/dbraw/zinc/29/71/55/970297155.db2.gz AGGXNNBTJDJSIT-GARJFASQSA-N 2 0 212.337 1.413 20 0 BDADRP COC[C@@H](C)[NH2+]CCCCC[NH+](C)C ZINC001255554086 970329797 /nfs/dbraw/zinc/32/97/97/970329797.db2.gz ICUWDTUBQQBAOH-LLVKDONJSA-N 2 0 202.342 1.343 20 0 BDADRP COC[C@H](C)[NH2+]C1CCC(CC[NH3+])CC1 ZINC001255563868 970354104 /nfs/dbraw/zinc/35/41/04/970354104.db2.gz RKUZATLLVHNIII-UNXYVOJBSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@@H](CC(F)(F)F)NC(=[NH2+])NCCCC[NH3+] ZINC001255634654 970409290 /nfs/dbraw/zinc/40/92/90/970409290.db2.gz BZHXTTOAHIYSHH-ZETCQYMHSA-N 2 0 240.273 1.180 20 0 BDADRP C[C@@H](CC(F)(F)F)[NH2+]CCC[N@H+](C)CCO ZINC001255646649 970425694 /nfs/dbraw/zinc/42/56/94/970425694.db2.gz QOYZIBXLRUURJC-VIFPVBQESA-N 2 0 242.285 1.231 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]CCn1ccnc1 ZINC001255940756 970562289 /nfs/dbraw/zinc/56/22/89/970562289.db2.gz GCMCHLPQTFNBCZ-CYBMUJFWSA-N 2 0 238.379 1.593 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)n1ccc(C[NH3+])n1 ZINC001255943659 970578882 /nfs/dbraw/zinc/57/88/82/970578882.db2.gz PQULGDIYKJVXSH-LLVKDONJSA-N 2 0 224.352 1.635 20 0 BDADRP COC[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)C1CC1 ZINC000400384337 970584881 /nfs/dbraw/zinc/58/48/81/970584881.db2.gz LJFWPAOYOVPZRI-GWCFXTLKSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@@H]([NH2+]Cc1ccncc1)C1CC[NH2+]CC1 ZINC000400421218 970585931 /nfs/dbraw/zinc/58/59/31/970585931.db2.gz WXNGJKGBBZNYQP-LLVKDONJSA-N 2 0 219.332 1.559 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC001255955566 970587452 /nfs/dbraw/zinc/58/74/52/970587452.db2.gz BTLCRPHLEGCEBO-HZSPNIEDSA-N 2 0 242.407 1.810 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H](C)CC(=O)OC ZINC001255953181 970590486 /nfs/dbraw/zinc/59/04/86/970590486.db2.gz YJZBZEHDIZJXLD-NEPJUHHUSA-N 2 0 244.379 1.648 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH+]1CCC(C)(O)CC1 ZINC001255956745 970598299 /nfs/dbraw/zinc/59/82/99/970598299.db2.gz MAOIOUHULJFGQW-CYBMUJFWSA-N 2 0 242.407 1.954 20 0 BDADRP CN1CCC([NH2+]C(C)(C)CC[NH+](C)C)CC1 ZINC001256197935 970692138 /nfs/dbraw/zinc/69/21/38/970692138.db2.gz VLNFRBIDEMABAZ-UHFFFAOYSA-N 2 0 227.396 1.401 20 0 BDADRP CCCC[C@H](CC(C)C)[NH2+]C[C@H](O)C[NH3+] ZINC001173245553 975082533 /nfs/dbraw/zinc/08/25/33/975082533.db2.gz HRPMHMHOWYJYIQ-VXGBXAGGSA-N 2 0 216.369 1.501 20 0 BDADRP CCSC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC001173301856 975201082 /nfs/dbraw/zinc/20/10/82/975201082.db2.gz LZIHFOZSCGHTNU-LPEHRKFASA-N 2 0 202.367 1.597 20 0 BDADRP CC[N@@H+]1CC[C@@H](N2CCC[NH+](CC)CC2)C1 ZINC001173356075 975316332 /nfs/dbraw/zinc/31/63/32/975316332.db2.gz FAQVCPZCZAVETP-CYBMUJFWSA-N 2 0 225.380 1.108 20 0 BDADRP CC[N@@H+]1CC[C@@H](N2CC[NH+](CC3CC3)CC2)C1 ZINC001173362979 975337086 /nfs/dbraw/zinc/33/70/86/975337086.db2.gz KMLCUASEAVKWSI-CQSZACIVSA-N 2 0 237.391 1.108 20 0 BDADRP CCC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH3+] ZINC001332980858 975352145 /nfs/dbraw/zinc/35/21/45/975352145.db2.gz IXTRMRDCJCYOFR-RYUDHWBXSA-N 2 0 241.379 1.057 20 0 BDADRP COC(=O)CCCC[C@H](C)[NH2+]CCC[NH+](C)C ZINC001173434496 975381258 /nfs/dbraw/zinc/38/12/58/975381258.db2.gz AUNIJHJZANBOLF-LBPRGKRZSA-N 2 0 244.379 1.650 20 0 BDADRP CC[N@H+](CCNc1nccnc1C[NH3+])C(C)C ZINC001337836566 978520277 /nfs/dbraw/zinc/52/02/77/978520277.db2.gz BOFOLPLWGKPWCJ-UHFFFAOYSA-N 2 0 237.351 1.078 20 0 BDADRP CCSCC[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001277914768 978959998 /nfs/dbraw/zinc/95/99/98/978959998.db2.gz WBMGLYTZAABJMT-UHFFFAOYSA-N 2 0 228.405 1.767 20 0 BDADRP CC[NH+]1CCC(CN2CC[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001235167369 978987277 /nfs/dbraw/zinc/98/72/77/978987277.db2.gz ZEBFUEUDDWMQMI-UONOGXRCSA-N 2 0 237.391 1.141 20 0 BDADRP CCOC[C@@]12CCC[C@@H]1C[N@H+](CCCC[NH3+])C2 ZINC001235496343 979056489 /nfs/dbraw/zinc/05/64/89/979056489.db2.gz XWAWZWCMNDJJSL-KGLIPLIRSA-N 2 0 240.391 1.864 20 0 BDADRP CC[C@H]1CNCC[N@@H+]1CC1(C)CC[NH2+]CC1 ZINC001235769658 979142753 /nfs/dbraw/zinc/14/27/53/979142753.db2.gz TYLKJIBAKZWQGB-LBPRGKRZSA-N 2 0 225.380 1.060 20 0 BDADRP [NH3+][C@]12CC[C@@H]1C[N@H+](C[C@H]1CC=CCC1)C2 ZINC001235981111 979255511 /nfs/dbraw/zinc/25/55/11/979255511.db2.gz UNNJOCKWFFSBOW-XQQFMLRXSA-N 2 0 206.333 1.766 20 0 BDADRP CC(C)[C@H]([NH3+])C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC001341606509 979486915 /nfs/dbraw/zinc/48/69/15/979486915.db2.gz CGXBXKLCVMLUCW-NSHDSACASA-N 2 0 243.395 1.016 20 0 BDADRP CC[NH2+]CCN([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236646386 979688142 /nfs/dbraw/zinc/68/81/42/979688142.db2.gz GSUMCRWGVULZTH-AWEZNQCLSA-N 2 0 239.407 1.593 20 0 BDADRP CC[C@H]([NH3+])C[N@H+](C)CCC1CC[NH+](C)CC1 ZINC001236860460 979764160 /nfs/dbraw/zinc/76/41/60/979764160.db2.gz POGXLVLAKKAZSJ-ZDUSSCGKSA-N 3 0 227.396 1.387 20 0 BDADRP CC[NH+](CC)CC[C@H](C)NC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC001342630280 979844863 /nfs/dbraw/zinc/84/48/63/979844863.db2.gz BDZFHHGRKRHQJF-SDDRHHMPSA-N 2 0 243.395 1.206 20 0 BDADRP C[C@@H]([NH3+])CN1CC[C@H]([NH+]2CCCCC2)[C@@H](F)C1 ZINC001237457620 979904761 /nfs/dbraw/zinc/90/47/61/979904761.db2.gz YEDSVAZYOZFXPL-AGIUHOORSA-N 2 0 243.370 1.232 20 0 BDADRP CC[C@H]([NH2+]C)C(=O)N[C@H](C)CC[NH+](CC)CC ZINC001343500443 980131227 /nfs/dbraw/zinc/13/12/27/980131227.db2.gz IYDWYWMSQNYKRE-NEPJUHHUSA-N 2 0 243.395 1.221 20 0 BDADRP [NH3+]CCCC[NH2+]Cc1cccnc1Cl ZINC001345104742 980550617 /nfs/dbraw/zinc/55/06/17/980550617.db2.gz NOVGZZLLEVFKFU-UHFFFAOYSA-N 2 0 213.712 1.564 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)[C@H](C)O)C1 ZINC001191391029 981024269 /nfs/dbraw/zinc/02/42/69/981024269.db2.gz UCDCSBCSRFSZNJ-SRVKXCTJSA-N 2 0 214.353 1.029 20 0 BDADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)N(CC)CC[NH3+] ZINC001349608935 981595550 /nfs/dbraw/zinc/59/55/50/981595550.db2.gz WDKUIYRQVWVXLG-GFCCVEGCSA-N 2 0 241.379 1.058 20 0 BDADRP CC[C@H](C)C[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001201499648 983266088 /nfs/dbraw/zinc/26/60/88/983266088.db2.gz NRGGXVSUJUALCM-ZDUSSCGKSA-N 2 0 227.396 1.212 20 0 BDADRP CC1(CN2CCCC[C@H]([NH3+])C2)CC[NH2+]CC1 ZINC001205922935 983323286 /nfs/dbraw/zinc/32/32/86/983323286.db2.gz DUGWTRPYMUDMIJ-LBPRGKRZSA-N 2 0 225.380 1.189 20 0 BDADRP COC(=O)CC[C@@H](C)[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246548327 972682741 /nfs/dbraw/zinc/68/27/41/972682741.db2.gz FXUDATRRRYWLJT-DGCLKSJQSA-N 2 0 242.363 1.531 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCCC[C@](O)(CF)C2)CC[NH2+]1 ZINC001246564054 972801300 /nfs/dbraw/zinc/80/13/00/972801300.db2.gz DBQVGNZHAWZGJA-UPJWGTAASA-N 2 0 244.354 1.313 20 0 BDADRP CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001146603285 973184389 /nfs/dbraw/zinc/18/43/89/973184389.db2.gz WOQIEYJWGLFCRQ-NWDGAFQWSA-N 2 0 243.395 1.219 20 0 BDADRP CC(C)C[NH+]1CCC([NH2+]C[C@H]2C[C@@H](O)C2)CC1 ZINC000720908063 973469498 /nfs/dbraw/zinc/46/94/98/973469498.db2.gz UAVYRLROQZLPAZ-XBXGTLAGSA-N 2 0 240.391 1.467 20 0 BDADRP CC[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCCOC1 ZINC000402579632 970806424 /nfs/dbraw/zinc/80/64/24/970806424.db2.gz BZKGTQMFYLHWNF-AGIUHOORSA-N 2 0 226.364 1.615 20 0 BDADRP C[C@H](Cc1ccccn1)NC(=[NH2+])SCC[NH3+] ZINC001256397331 970802654 /nfs/dbraw/zinc/80/26/54/970802654.db2.gz HMMPAWKHFKHSPD-SECBINFHSA-N 2 0 238.360 1.229 20 0 BDADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2C[C@](C)(O)C2)CC1 ZINC001256561469 970861504 /nfs/dbraw/zinc/86/15/04/970861504.db2.gz HRGVBAWDILWNJJ-MQMHXKEQSA-N 2 0 240.391 1.752 20 0 BDADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC001256563931 970864245 /nfs/dbraw/zinc/86/42/45/970864245.db2.gz JPDDZYAPGFHXBD-ITGUQSILSA-N 2 0 238.375 1.484 20 0 BDADRP COCC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCC1 ZINC001256614649 970878061 /nfs/dbraw/zinc/87/80/61/970878061.db2.gz FIMZEIXGTPEAFY-YHWZYXNKSA-N 2 0 238.375 1.770 20 0 BDADRP C[C@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)CCCO1 ZINC001256622343 970886994 /nfs/dbraw/zinc/88/69/94/970886994.db2.gz HMHNDUAAMNJCKF-ICIURTGMSA-N 2 0 238.375 1.722 20 0 BDADRP CN([C@H]1CC[N@H+](C)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256628221 970893497 /nfs/dbraw/zinc/89/34/97/970893497.db2.gz WUWYPGFOVNOBBB-WJLOJVBCSA-N 2 0 237.391 1.248 20 0 BDADRP [NH3+]CC1(F)CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC001222528523 972534104 /nfs/dbraw/zinc/53/41/04/972534104.db2.gz XAIBNYNOXOHCDD-NSHDSACASA-N 2 0 230.327 1.318 20 0 BDADRP CC(C)[N@H+](C)C1CCC([NH+]2CCOCC2)CC1 ZINC001256689145 970921253 /nfs/dbraw/zinc/92/12/53/970921253.db2.gz QRGYNQZCEQRPKF-UHFFFAOYSA-N 2 0 240.391 1.970 20 0 BDADRP C[C@H](Cc1ccncc1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001256745568 970977014 /nfs/dbraw/zinc/97/70/14/970977014.db2.gz NNWQBEGPVYOAHP-YUELXQCFSA-N 2 0 245.370 1.506 20 0 BDADRP [NH2+]=CNC1CCN(c2cc[nH+]cc2)CC1 ZINC001256849963 970996008 /nfs/dbraw/zinc/99/60/08/970996008.db2.gz QEVAAMCNGOYSQB-UHFFFAOYSA-N 2 0 204.277 1.247 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001256852720 970998604 /nfs/dbraw/zinc/99/86/04/970998604.db2.gz OXBSBQWQACHHHE-LBPRGKRZSA-N 3 0 248.374 1.235 20 0 BDADRP [NH3+]C1CC(N[C@@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256904865 971018650 /nfs/dbraw/zinc/01/86/50/971018650.db2.gz NIFKHYFXVVUBDM-OTTFEQOBSA-N 2 0 237.391 1.473 20 0 BDADRP CNc1cc(-n2c[nH+]c(C)c2N)cc[nH+]1 ZINC001216334238 971048597 /nfs/dbraw/zinc/04/85/97/971048597.db2.gz RIJUDRMTLNPERV-UHFFFAOYSA-N 2 0 203.249 1.200 20 0 BDADRP C[N@@H+]1CC[C@@H](OC[C@@H]2CCCC[NH+]2C)C1 ZINC001224704450 973871782 /nfs/dbraw/zinc/87/17/82/973871782.db2.gz YXEVTHAJHSAGNP-NWDGAFQWSA-N 2 0 212.337 1.191 20 0 BDADRP CCN(c1cc(N)cc[nH+]1)[C@@H]1CCC[NH2+]C1 ZINC001158201134 971102739 /nfs/dbraw/zinc/10/27/39/971102739.db2.gz UQQPIABQPRTVRI-LLVKDONJSA-N 2 0 220.320 1.242 20 0 BDADRP CC(C)[NH+]1CCC(Nc2ccc(C[NH3+])nc2)CC1 ZINC001257210627 971126814 /nfs/dbraw/zinc/12/68/14/971126814.db2.gz UZYBSWJOUIBCHC-UHFFFAOYSA-N 2 0 248.374 1.825 20 0 BDADRP CC(C)[NH+]1CCC(N[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC001257212889 971126363 /nfs/dbraw/zinc/12/63/63/971126363.db2.gz BPTAMDVZCLCBAT-QWHCGFSZSA-N 2 0 225.380 1.329 20 0 BDADRP CC(C)[NH+]1CCC([NH+]2CC(C3COC3)C2)CC1 ZINC001257213656 971129843 /nfs/dbraw/zinc/12/98/43/971129843.db2.gz RSOGETOAJPUXFW-UHFFFAOYSA-N 2 0 238.375 1.437 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@@]2(C)C[C@H](O)C2)CC1 ZINC001257206594 971130572 /nfs/dbraw/zinc/13/05/72/971130572.db2.gz ZSXSEVPNYZSQCI-JOCQHMNTSA-N 2 0 226.364 1.362 20 0 BDADRP CCN(CC[NH+](C)C)C1CC[NH+](C(C)C)CC1 ZINC001257213943 971130790 /nfs/dbraw/zinc/13/07/90/971130790.db2.gz XIVDGUHTPVPXCV-UHFFFAOYSA-N 2 0 241.423 1.743 20 0 BDADRP COC[C@@H]1CC[N@@H+](C2CC[NH+](C(C)C)CC2)C1 ZINC001257215707 971133592 /nfs/dbraw/zinc/13/35/92/971133592.db2.gz XNQZKMCYMLWHSH-CYBMUJFWSA-N 2 0 240.391 1.828 20 0 BDADRP [NH3+]C[C@H]1CCCN(Cc2ccns2)C1 ZINC000404483989 971171029 /nfs/dbraw/zinc/17/10/29/971171029.db2.gz ZDAPHXJNSGXDAZ-SECBINFHSA-N 2 0 211.334 1.314 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCSC(F)(F)F ZINC000404758079 971180716 /nfs/dbraw/zinc/18/07/16/971180716.db2.gz GRLRNTDNPPHWHF-RNFRBKRXSA-N 2 0 242.310 1.955 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CCOC1 ZINC000405207205 971209235 /nfs/dbraw/zinc/20/92/35/971209235.db2.gz GPFXFATUVLKTRP-IJLUTSLNSA-N 2 0 224.348 1.273 20 0 BDADRP CSCC[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405206622 971210134 /nfs/dbraw/zinc/21/01/34/971210134.db2.gz AOTIERKLMUJXSB-HBNTYKKESA-N 2 0 228.405 1.988 20 0 BDADRP [NH3+][C@@H]1C[C@@H](NC2CC[NH+](C3CC3)CC2)C12CCC2 ZINC000405245604 971222233 /nfs/dbraw/zinc/22/22/33/971222233.db2.gz ZRMKFIKIRBKFFJ-ZIAGYGMSSA-N 2 0 249.402 1.473 20 0 BDADRP COc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)cc1 ZINC000405287359 971225749 /nfs/dbraw/zinc/22/57/49/971225749.db2.gz HBTHUIZQTJFWRA-CHWSQXEVSA-N 2 0 234.343 1.911 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]CCOCC(F)F)C12CCC2 ZINC000405293391 971229943 /nfs/dbraw/zinc/22/99/43/971229943.db2.gz ZJUVNTZLMABWKM-DTWKUNHWSA-N 2 0 234.290 1.128 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CCCn2ccnc2)C12CCC2 ZINC000405303891 971231129 /nfs/dbraw/zinc/23/11/29/971231129.db2.gz JWTLNODCBBBKJC-NEPJUHHUSA-N 2 0 234.347 1.133 20 0 BDADRP CCSCCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405295543 971233112 /nfs/dbraw/zinc/23/31/12/971233112.db2.gz GLHHJNDFICVAED-WDEREUQCSA-N 2 0 228.405 1.989 20 0 BDADRP C[C@H](CCCO)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405344964 971235500 /nfs/dbraw/zinc/23/55/00/971235500.db2.gz KJVKMEOPSWMHDQ-MXWKQRLJSA-N 2 0 212.337 1.007 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC2(O)CCCCC2)C12CCC2 ZINC000405336933 971238233 /nfs/dbraw/zinc/23/82/33/971238233.db2.gz FVJKFQDUYRYZDC-VXGBXAGGSA-N 2 0 238.375 1.541 20 0 BDADRP NC(=[NH2+])SCCSC(=[NH2+])NC1CCCC1 ZINC001257345324 971239544 /nfs/dbraw/zinc/23/95/44/971239544.db2.gz PNRURYHTXSTCAN-UHFFFAOYSA-N 2 0 246.405 1.813 20 0 BDADRP CC[NH+](CC)CCCN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405355394 971240703 /nfs/dbraw/zinc/24/07/03/971240703.db2.gz QPHWKFXOQDPOAD-CHWSQXEVSA-N 2 0 239.407 1.578 20 0 BDADRP CC(C)[N@@H+](C)C[C@@H](C)N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405352397 971241008 /nfs/dbraw/zinc/24/10/08/971241008.db2.gz OZRSJGHLGWTCGT-AGIUHOORSA-N 2 0 239.407 1.575 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]C2CCOCC2)C12CCC2 ZINC000405459195 971257593 /nfs/dbraw/zinc/25/75/93/971257593.db2.gz IJKQPNSFZJWSIU-WDEREUQCSA-N 2 0 210.321 1.025 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CCC[C@@H]2CCOC2)C12CCC2 ZINC000405440849 971254847 /nfs/dbraw/zinc/25/48/47/971254847.db2.gz DNYUYGGJSHZHFL-UPJWGTAASA-N 2 0 238.375 1.663 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCCOCC2)C12CCC2 ZINC000405456805 971260394 /nfs/dbraw/zinc/26/03/94/971260394.db2.gz YWCTYIXWZIHEDL-TUAOUCFPSA-N 2 0 224.348 1.415 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CCO1 ZINC000405453818 971260418 /nfs/dbraw/zinc/26/04/18/971260418.db2.gz YEYVMJYNUPINQS-WISYIIOYSA-N 2 0 224.348 1.413 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2CCCO2)C12CCC2 ZINC000405506317 971267248 /nfs/dbraw/zinc/26/72/48/971267248.db2.gz RXYURRRVNDAPGO-AXFHLTTASA-N 2 0 210.321 1.025 20 0 BDADRP Cc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)cn1 ZINC000405552639 971268856 /nfs/dbraw/zinc/26/88/56/971268856.db2.gz BMQOKMFTWPORER-CYBMUJFWSA-N 2 0 219.332 1.703 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CCOc2ccccc2)C12CCC2 ZINC000405535452 971270908 /nfs/dbraw/zinc/27/09/08/971270908.db2.gz ZNKMEQDMZYMAOX-KGLIPLIRSA-N 2 0 246.354 1.925 20 0 BDADRP Cc1ccc(C[N@@H+]2CC[C@H](CC[NH3+])C2)cn1 ZINC000405677919 971290946 /nfs/dbraw/zinc/29/09/46/971290946.db2.gz SLYLYAFTGHWYGY-LBPRGKRZSA-N 2 0 219.332 1.561 20 0 BDADRP C[C@@H]1OC[C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)[C@@H]1C ZINC000405661024 971289454 /nfs/dbraw/zinc/28/94/54/971289454.db2.gz NZFAXFLNJHKVMC-CZXHOFHRSA-N 2 0 238.375 1.484 20 0 BDADRP COc1c(C)cnc(CN2CC[C@@](C)([NH3+])C2)c1C ZINC000405793895 971307869 /nfs/dbraw/zinc/30/78/69/971307869.db2.gz RRNCYIUPTVPKID-CQSZACIVSA-N 2 0 249.358 1.630 20 0 BDADRP CC[C@@H](C)[NH2+]CC1CC[NH+](C2COC2)CC1 ZINC001257435379 971346248 /nfs/dbraw/zinc/34/62/48/971346248.db2.gz BAOLBFYBDSBWMV-LLVKDONJSA-N 2 0 226.364 1.485 20 0 BDADRP [NH2+]=C(NCCCC[NH3+])NC1CCCCC1 ZINC001257449534 971367885 /nfs/dbraw/zinc/36/78/85/971367885.db2.gz HTLQKHXDBMILDU-UHFFFAOYSA-N 2 0 212.341 1.172 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1OCC[C@H]1CCC[NH2+]C1 ZINC001217789536 971407653 /nfs/dbraw/zinc/40/76/53/971407653.db2.gz PHDSQMTUXVCDEP-MGPQQGTHSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1OC[C@@H]1COC(C)(C)[NH2+]1 ZINC001217789681 971408937 /nfs/dbraw/zinc/40/89/37/971408937.db2.gz QCMCNUJRWMTNQR-IJLUTSLNSA-N 2 0 242.363 1.116 20 0 BDADRP C(O[C@@H]1CCC12CC[NH2+]CC2)[C@@H]1CCC[NH2+]C1 ZINC001217796397 971411438 /nfs/dbraw/zinc/41/14/38/971411438.db2.gz JVDSSPKGOCONSO-CHWSQXEVSA-N 2 0 238.375 1.535 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1OCC1(C)CC[NH2+]CC1 ZINC001217791955 971411770 /nfs/dbraw/zinc/41/17/70/971411770.db2.gz YXXFJDJJOSPFQR-OLZOCXBDSA-N 2 0 240.391 1.781 20 0 BDADRP C(OC1[C@@H]2CCC[C@H]1C[NH2+]C2)[C@@H]1CCC[NH2+]C1 ZINC001217813229 971416592 /nfs/dbraw/zinc/41/65/92/971416592.db2.gz ZYBUVUWSJRYHES-HABKJSAYSA-N 2 0 238.375 1.391 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](OCCCC[NH+](C)C)C1 ZINC001224991505 974123810 /nfs/dbraw/zinc/12/38/10/974123810.db2.gz USOWYMRRXLVZFK-ZDUSSCGKSA-N 2 0 228.380 1.828 20 0 BDADRP CCCCC[C@H](C)n1cncc1C[C@@H]([NH3+])CO ZINC001257501897 971418863 /nfs/dbraw/zinc/41/88/63/971418863.db2.gz ILUWYRIRTHHGBZ-NWDGAFQWSA-N 2 0 239.363 1.887 20 0 BDADRP CCCCC[C@H](C)NC(=[NH2+])NCCCC[NH3+] ZINC001257501176 971420039 /nfs/dbraw/zinc/42/00/39/971420039.db2.gz AKQBYBZFGGUFLZ-NSHDSACASA-N 2 0 228.384 1.808 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]1OC[C@@H]1CCC[NH2+]C1 ZINC001217877699 971473025 /nfs/dbraw/zinc/47/30/25/971473025.db2.gz BKUWWGAMLODDNV-VXGBXAGGSA-N 2 0 226.364 1.391 20 0 BDADRP C1=C[C@@H](OCc2ccc3c(c2)CC[NH2+]C3)C[NH2+]C1 ZINC001217883863 971479861 /nfs/dbraw/zinc/47/98/61/971479861.db2.gz UVWRFNAAISWLKW-OAHLLOKOSA-N 2 0 244.338 1.377 20 0 BDADRP C[C@H]1CC[C@H](OCc2cccc(C[NH3+])c2)C[NH2+]1 ZINC001217909444 971509692 /nfs/dbraw/zinc/50/96/92/971509692.db2.gz MKTRFLFHRPEBGJ-FZMZJTMJSA-N 2 0 234.343 1.802 20 0 BDADRP C[C@@H]1[NH2+]C[C@H]1OCCC[C@H]1CCC[NH2+]C1 ZINC001217909354 971509826 /nfs/dbraw/zinc/50/98/26/971509826.db2.gz SENICBDBGGGYIN-QJPTWQEYSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H]1[NH2+]C[C@@H]1OCCCC1CC[NH2+]CC1 ZINC001217905792 971510091 /nfs/dbraw/zinc/51/00/91/971510091.db2.gz DDGLRMNEYKEVCH-JQWIXIFHSA-N 2 0 212.337 1.143 20 0 BDADRP [NH3+]CCCC[NH2+]C1CCC2(COC2)CC1 ZINC001257897799 971529355 /nfs/dbraw/zinc/52/93/55/971529355.db2.gz QOEUEUIVAQBNBG-UHFFFAOYSA-N 2 0 212.337 1.274 20 0 BDADRP C(C[C@H]1CCC[NH2+]C1)O[C@@H]1[C@@H]2CC[C@H]1[NH2+]C2 ZINC001217925724 971530948 /nfs/dbraw/zinc/53/09/48/971530948.db2.gz VGVUADLVBATFKZ-FDYHWXHSSA-N 2 0 224.348 1.143 20 0 BDADRP CC1(C)C[C@@H](OCC[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001217937099 971539442 /nfs/dbraw/zinc/53/94/42/971539442.db2.gz JTXIZFBUXUMUDW-OLZOCXBDSA-N 2 0 240.391 1.923 20 0 BDADRP C[NH2+][C@H]1C[C@H](Oc2ccc(CC[NH3+])cc2)C1 ZINC001217949878 971542388 /nfs/dbraw/zinc/54/23/88/971542388.db2.gz HXEXGKHWONGHMU-AULYBMBSSA-N 2 0 220.316 1.317 20 0 BDADRP C[NH2+][C@H]1C[C@@H](Oc2ccc([C@H](C)[NH3+])cc2)C1 ZINC001217959382 971547213 /nfs/dbraw/zinc/54/72/13/971547213.db2.gz VFYASNQOFIVWCO-XHVZSJERSA-N 2 0 220.316 1.836 20 0 BDADRP CC(C)C[NH+]1CCC(NC2CC([NH3+])C2)CC1 ZINC001258005421 971552571 /nfs/dbraw/zinc/55/25/71/971552571.db2.gz RAPUQQAEMRVWLD-UHFFFAOYSA-N 2 0 225.380 1.186 20 0 BDADRP CC(C)C[NH+]1CCC([N@@H+]2CCC[C@@H]2CO)CC1 ZINC001258013806 971556680 /nfs/dbraw/zinc/55/66/80/971556680.db2.gz XONKWKLXELZTBG-CQSZACIVSA-N 2 0 240.391 1.564 20 0 BDADRP C[C@H]1C[NH2+]CCC[C@H]1Oc1ccccc1C[NH3+] ZINC001217994036 971561439 /nfs/dbraw/zinc/56/14/39/971561439.db2.gz YGSARDIGNCIXLB-WCQYABFASA-N 2 0 234.343 1.912 20 0 BDADRP C[C@H](Oc1ccc(CC[NH3+])cc1)C1CC[NH2+]CC1 ZINC001218003397 971564247 /nfs/dbraw/zinc/56/42/47/971564247.db2.gz UCFADXPNFFPXRC-LBPRGKRZSA-N 2 0 248.370 1.955 20 0 BDADRP CC(C)C[C@H](C)C[C@H](C)[NH2+]C[C@H](O)C[NH3+] ZINC001258053526 971577893 /nfs/dbraw/zinc/57/78/93/971577893.db2.gz VJXGASVCDOXPKP-SDDRHHMPSA-N 2 0 216.369 1.356 20 0 BDADRP [NH3+]Cc1cccc(O[C@H]2CC[NH2+]C[C@H]2F)c1 ZINC001218073678 971593597 /nfs/dbraw/zinc/59/35/97/971593597.db2.gz VQFSXQWQRGTADM-NEPJUHHUSA-N 2 0 224.279 1.224 20 0 BDADRP c1cc2c(cc1O[C@@H]1C[C@H]3C[C@@H]1C[NH2+]3)CC[NH2+]C2 ZINC001218111633 971602112 /nfs/dbraw/zinc/60/21/12/971602112.db2.gz FGJHCDRGALMEFG-UMVBOHGHSA-N 2 0 244.338 1.462 20 0 BDADRP [NH3+]CCc1ccc(O[C@H]2[C@@H]3C[C@H]2C[NH2+]C3)cc1 ZINC001218146216 971606270 /nfs/dbraw/zinc/60/62/70/971606270.db2.gz YEWJARAURQHGFJ-IMRBUKKESA-N 2 0 232.327 1.175 20 0 BDADRP c1cc2c(c(O[C@H]3[C@@H]4C[C@H]3C[NH2+]C4)c1)CC[NH2+]C2 ZINC001218145286 971606864 /nfs/dbraw/zinc/60/68/64/971606864.db2.gz ATSTZPDKTUDHSY-JYAVWHMHSA-N 2 0 244.338 1.319 20 0 BDADRP [NH3+]Cc1cccc(O[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001218185965 971621086 /nfs/dbraw/zinc/62/10/86/971621086.db2.gz KAGHIOIGQFMQCZ-DABQJJPHSA-N 2 0 232.327 1.807 20 0 BDADRP Cc1cc2[nH]ccc2c(NC[C@@H]2COCC[NH2+]2)[nH+]1 ZINC001159043662 971642881 /nfs/dbraw/zinc/64/28/81/971642881.db2.gz GJMWKWJHEWXOKZ-SNVBAGLBSA-N 2 0 246.314 1.272 20 0 BDADRP CC(C)CC[N@@H+]1CC[C@@H](N)[C@H](F)CC1 ZINC001206154257 974322390 /nfs/dbraw/zinc/32/23/90/974322390.db2.gz ICLYVAGYKXUPDA-GHMZBOCLSA-N 2 0 202.317 1.794 20 0 BDADRP Cc1ccc(CN2CC[C@@H]([NH3+])[C@@H](F)CC2)o1 ZINC001206156765 974329807 /nfs/dbraw/zinc/32/98/07/974329807.db2.gz SPQTWDVJSCKKJV-NWDGAFQWSA-N 2 0 226.295 1.849 20 0 BDADRP C[C@H]([NH3+])c1ccc(O[C@H]2CCC[NH2+]C2)cc1 ZINC001218287067 971682890 /nfs/dbraw/zinc/68/28/90/971682890.db2.gz KLQYENBSYZDJAT-GWCFXTLKSA-N 2 0 220.316 1.837 20 0 BDADRP COC(=O)CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172107504 974365522 /nfs/dbraw/zinc/36/55/22/974365522.db2.gz YXAVWSQJRCZVFE-ZSBIGDGJSA-N 2 0 240.347 1.154 20 0 BDADRP c1cc2c(c(O[C@@H]3C[C@@H]4C[NH2+]C[C@H]34)c1)CC[NH2+]C2 ZINC001218328849 971710483 /nfs/dbraw/zinc/71/04/83/971710483.db2.gz YKMVHPUCDHLKHQ-OSAQELSMSA-N 2 0 244.338 1.319 20 0 BDADRP C[C@@H]1[NH2+]C[C@@H]1Oc1ccc2c(c1)C[NH2+]C2 ZINC001218382703 971760493 /nfs/dbraw/zinc/76/04/93/971760493.db2.gz DJKZDZXISOXEIP-UFBFGSQYSA-N 2 0 204.273 1.029 20 0 BDADRP C[C@H]1C[NH2+]CC[C@H]1Oc1ccc2c(n1)CC[NH2+]C2 ZINC001218417348 971792833 /nfs/dbraw/zinc/79/28/33/971792833.db2.gz VWESSCVUBNLVNB-GXFFZTMASA-N 2 0 247.342 1.104 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCCOCC1)C2 ZINC001170777291 971804672 /nfs/dbraw/zinc/80/46/72/971804672.db2.gz WKIMXWYTIQZFJM-YIYPIFLZSA-N 2 0 238.375 1.770 20 0 BDADRP c1cc2c(c(O[C@@H]3[C@@H]4CC[C@H]3[NH2+]C4)c1)C[NH2+]C2 ZINC001218444546 971822606 /nfs/dbraw/zinc/82/26/06/971822606.db2.gz JXWZOSJOCWUCFK-MPKXVKKWSA-N 2 0 230.311 1.419 20 0 BDADRP [NH3+]Cc1ccccc1O[C@@H]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001218462826 971823620 /nfs/dbraw/zinc/82/36/20/971823620.db2.gz XYXUBSMYPPWVFM-OUCADQQQSA-N 2 0 232.327 1.522 20 0 BDADRP [NH3+]CCc1ccc(O[C@@H]2CC[C@H]3C[NH2+]C[C@@H]32)cc1 ZINC001218473320 971826513 /nfs/dbraw/zinc/82/65/13/971826513.db2.gz QNVGJBNPKNREIG-AEGPPILISA-N 2 0 246.354 1.565 20 0 BDADRP CCCCC[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222528304 972543421 /nfs/dbraw/zinc/54/34/21/972543421.db2.gz VJQITQHNNOAXSX-UHFFFAOYSA-N 2 0 202.317 1.939 20 0 BDADRP CC(C)[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001135378103 971879740 /nfs/dbraw/zinc/87/97/40/971879740.db2.gz IGEMIHYZSRSXFR-RYUDHWBXSA-N 2 0 243.395 1.219 20 0 BDADRP CC[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001135474340 971896412 /nfs/dbraw/zinc/89/64/12/971896412.db2.gz NNEKITRSIVKCGY-LBPRGKRZSA-N 2 0 243.395 1.079 20 0 BDADRP CC[C@@H](C)N(C)CC[NH2+]CC1CC[NH+](C)CC1 ZINC000217893438 971897227 /nfs/dbraw/zinc/89/72/27/971897227.db2.gz PAQBVEORWNXWGZ-CYBMUJFWSA-N 3 0 241.423 1.648 20 0 BDADRP C[C@H](Nc1[nH+]ccc2[nH]ccc21)[C@H]1C[NH2+]CCO1 ZINC001159488211 971914325 /nfs/dbraw/zinc/91/43/25/971914325.db2.gz ATWLAIKLPWSSHT-JOYOIKCWSA-N 2 0 246.314 1.352 20 0 BDADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)Nc1ccccc1 ZINC001218808145 971942439 /nfs/dbraw/zinc/94/24/39/971942439.db2.gz APDQELIKWNLIMV-NSHDSACASA-N 2 0 235.331 1.472 20 0 BDADRP Cc1ncccc1C[N@H+](C)CC1CC[NH2+]CC1 ZINC000310126623 971947829 /nfs/dbraw/zinc/94/78/29/971947829.db2.gz WRPRRZWHYKUUKO-UHFFFAOYSA-N 2 0 233.359 1.821 20 0 BDADRP Cc1cccc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)n1 ZINC000310399372 971973039 /nfs/dbraw/zinc/97/30/39/971973039.db2.gz MQPJCTKXNOYUGL-ZDUSSCGKSA-N 2 0 233.359 1.951 20 0 BDADRP C[NH2+]CCC(=O)Nc1ccc(C2([NH3+])CCC2)cc1 ZINC001218972797 971969862 /nfs/dbraw/zinc/96/98/62/971969862.db2.gz SFEGKOQXXYYDGE-UHFFFAOYSA-N 2 0 247.342 1.573 20 0 BDADRP CCn1cc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)cn1 ZINC000310308103 971969979 /nfs/dbraw/zinc/96/99/79/971969979.db2.gz VWVYKAQNGHPCGZ-GFCCVEGCSA-N 2 0 236.363 1.464 20 0 BDADRP CC[C@@]([NH3+])(CO)Nc1ccc([C@H]2CCC[NH2+]2)cc1 ZINC001170864705 971992855 /nfs/dbraw/zinc/99/28/55/971992855.db2.gz VXSQUWYBQMIGBJ-KGLIPLIRSA-N 2 0 249.358 1.580 20 0 BDADRP CC[C@H](C)[C@@H]([NH3+])CC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001219584930 972038013 /nfs/dbraw/zinc/03/80/13/972038013.db2.gz NAXQWXIQGUTKLE-BJDJZHNGSA-N 2 0 241.379 1.007 20 0 BDADRP Cc1ccc(C)c(N[C@H]([NH3+])CCC[NH3+])c1 ZINC001170897959 972052656 /nfs/dbraw/zinc/05/26/56/972052656.db2.gz AARUADANTSUJSU-LBPRGKRZSA-N 2 0 207.321 1.739 20 0 BDADRP CCc1nc(Cl)cc(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001170899234 972058067 /nfs/dbraw/zinc/05/80/67/972058067.db2.gz SSKNTAKXXHSCTG-MRVPVSSYSA-N 2 0 243.742 1.128 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ncc2ccsc2n1 ZINC001170899120 972059963 /nfs/dbraw/zinc/05/99/63/972059963.db2.gz RZAKPRBDXXTILM-QMMMGPOBSA-N 2 0 237.332 1.127 20 0 BDADRP Cc1cnc(N[C@H]([NH3+])CCC[NH3+])c2[nH]ccc21 ZINC001170899598 972060487 /nfs/dbraw/zinc/06/04/87/972060487.db2.gz XJMWPMSIQXURSH-JTQLQIEISA-N 2 0 233.319 1.307 20 0 BDADRP Cc1nc2ccccc2nc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170899847 972065059 /nfs/dbraw/zinc/06/50/59/972065059.db2.gz GBADXTDCAWFENS-GFCCVEGCSA-N 2 0 245.330 1.374 20 0 BDADRP COc1cccc(F)c1N[C@H]([NH3+])CCC[NH3+] ZINC001170900578 972065173 /nfs/dbraw/zinc/06/51/73/972065173.db2.gz WPPOPSRGTKVJGR-JTQLQIEISA-N 2 0 227.283 1.270 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc2c(c1)CCO2 ZINC001170900063 972065631 /nfs/dbraw/zinc/06/56/31/972065631.db2.gz ORNMQWIPOGWZTA-LBPRGKRZSA-N 2 0 221.304 1.057 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc(C(F)(F)F)cn1 ZINC001170900307 972066349 /nfs/dbraw/zinc/06/63/49/972066349.db2.gz ROKWWZZXTNOQPN-MRVPVSSYSA-N 2 0 248.252 1.536 20 0 BDADRP Cc1c[nH]c2cccc(N[C@@H]([NH3+])CCC[NH3+])c12 ZINC001170901359 972068793 /nfs/dbraw/zinc/06/87/93/972068793.db2.gz ZXMPSKGOBJGYIO-GFCCVEGCSA-N 2 0 232.331 1.912 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc(C2CC2)nc1 ZINC001170902856 972072967 /nfs/dbraw/zinc/07/29/67/972072967.db2.gz GEXLKPINAQUFGM-GFCCVEGCSA-N 2 0 220.320 1.395 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1cnc2c(c1)CN=N2 ZINC001170906833 972079540 /nfs/dbraw/zinc/07/95/40/972079540.db2.gz XYTCNXSWFROJOM-SECBINFHSA-N 2 0 220.280 1.115 20 0 BDADRP Cc1nc2c(ncc(N[C@H]([NH3+])CCC[NH3+])c2C)[nH]1 ZINC001170906753 972081261 /nfs/dbraw/zinc/08/12/61/972081261.db2.gz XMQOQIRRKHSREC-JTQLQIEISA-N 2 0 248.334 1.010 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1cnc2c(c1)CN=N2 ZINC001170906836 972081484 /nfs/dbraw/zinc/08/14/84/972081484.db2.gz XYTCNXSWFROJOM-VIFPVBQESA-N 2 0 220.280 1.115 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])N[C@@H](F)c1ccnc(Cl)c1 ZINC001159784465 972110449 /nfs/dbraw/zinc/11/04/49/972110449.db2.gz JBRDUKWUOSLBHW-NXEZZACHSA-N 2 0 246.717 1.316 20 0 BDADRP Cc1ccc2nc(N[C@H]([NH3+])CCC[NH3+])ncc2c1 ZINC001159784948 972112340 /nfs/dbraw/zinc/11/23/40/972112340.db2.gz MWQXPEOROQIEMB-LBPRGKRZSA-N 2 0 245.330 1.374 20 0 BDADRP CSc1cccnc1N[C@H]([NH3+])CCC[NH3+] ZINC001159785644 972112578 /nfs/dbraw/zinc/11/25/78/972112578.db2.gz RMIGGMVHCZLHTK-VIFPVBQESA-N 2 0 226.349 1.239 20 0 BDADRP C[C@H]1CCc2nnc(N[C@@H]([NH3+])CCC[NH3+])cc2C1 ZINC001159788759 972114891 /nfs/dbraw/zinc/11/48/91/972114891.db2.gz LMNLCTJBLUQOJV-JOYOIKCWSA-N 2 0 249.362 1.037 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@H](O)C(C)(C)C)CC[C@@H]1C[NH3+] ZINC001246018688 972116836 /nfs/dbraw/zinc/11/68/36/972116836.db2.gz FMZKVJQIQTVNPP-UPJWGTAASA-N 2 0 242.407 1.700 20 0 BDADRP Cc1cc2cccnc2c(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001159788497 972117718 /nfs/dbraw/zinc/11/77/18/972117718.db2.gz JHDLENVGFAVPNV-NSHDSACASA-N 2 0 245.330 1.374 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H](O)C(C)(C)C)CCC[C@H]1C[NH3+] ZINC001246031398 972121825 /nfs/dbraw/zinc/12/18/25/972121825.db2.gz PREKOQDQHTZHEJ-FRRDWIJNSA-N 2 0 242.407 1.700 20 0 BDADRP CCCCC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246029027 972122608 /nfs/dbraw/zinc/12/26/08/972122608.db2.gz KUZZREQFALRXMS-YNEHKIRRSA-N 2 0 246.370 1.689 20 0 BDADRP [NH3+]C1(C[NH2+][C@@H]2CCSC2)CCCC1 ZINC001246077682 972131444 /nfs/dbraw/zinc/13/14/44/972131444.db2.gz XFSBRUUVEDAVDQ-SECBINFHSA-N 2 0 200.351 1.353 20 0 BDADRP [NH3+]C1(CN[C@H]2CC[NH2+]C3(CCC3)C2)CCCC1 ZINC001246075603 972132791 /nfs/dbraw/zinc/13/27/91/972132791.db2.gz LNQFNJIBDZCHSC-LBPRGKRZSA-N 2 0 237.391 1.522 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@](C)(O)CC2)CC[NH2+]1 ZINC001246090442 972143067 /nfs/dbraw/zinc/14/30/67/972143067.db2.gz XPKSUJGPKJSMNU-FVCCEPFGSA-N 2 0 226.364 1.410 20 0 BDADRP C[C@@]1(CN[C@@H]2CCC[NH2+]C2)CCCC[NH2+]C1 ZINC001246090084 972144278 /nfs/dbraw/zinc/14/42/78/972144278.db2.gz INKOQQJXDVZCIO-CHWSQXEVSA-N 2 0 225.380 1.108 20 0 BDADRP C/C=C(\NC=[NH2+])[NH2+][C@H]1CCC[C@@H]1C(=O)OCC ZINC001170953193 972144471 /nfs/dbraw/zinc/14/44/71/972144471.db2.gz AXBMJIZQZDKBDX-YZYZJBAHSA-N 2 0 239.319 1.366 20 0 BDADRP Cc1ccc(C[NH3+])nc1N(C)C1CC[NH2+]CC1 ZINC001246089124 972144577 /nfs/dbraw/zinc/14/45/77/972144577.db2.gz ORJHJUDGGADTKU-UHFFFAOYSA-N 2 0 234.347 1.037 20 0 BDADRP CC(C)(C)[C@H]1C[C@H](NCC2(C)C[NH2+]C2)CC[NH2+]1 ZINC001246095225 972149174 /nfs/dbraw/zinc/14/91/74/972149174.db2.gz OWLRRWBQCOKNIA-VXGBXAGGSA-N 2 0 239.407 1.352 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001246095664 972150418 /nfs/dbraw/zinc/15/04/18/972150418.db2.gz BUXBTUXSBHKJKR-WSOGJNRSSA-N 2 0 238.375 1.532 20 0 BDADRP C[C@@H]1CC[C@H](CN[C@H]2CCC[N@H+](C)CC2)C[NH2+]1 ZINC001246102036 972161782 /nfs/dbraw/zinc/16/17/82/972161782.db2.gz WFAVTJRNHMMIJB-RDBSUJKOSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H](Cc1cccnc1)[NH2+]C[C@H]1CCC[NH2+][C@H]1C ZINC001246105020 972169955 /nfs/dbraw/zinc/16/99/55/972169955.db2.gz AICNNUFFMFSTBL-VNHYZAJKSA-N 2 0 247.386 1.990 20 0 BDADRP C[C@H](Cc1cccnc1)[NH2+]C[C@H]1CCC[NH2+][C@@H]1C ZINC001246105013 972168583 /nfs/dbraw/zinc/16/85/83/972168583.db2.gz AICNNUFFMFSTBL-UMVBOHGHSA-N 2 0 247.386 1.990 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1CN[C@H]1CCC[N@H+](C)CC1 ZINC001246108507 972172894 /nfs/dbraw/zinc/17/28/94/972172894.db2.gz IIYZXXUWRZSSRD-MJBXVCDLSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCOC(C)(C)C2)[NH2+]C1 ZINC001246115697 972182752 /nfs/dbraw/zinc/18/27/52/972182752.db2.gz SIEZPHOOOYCFFB-UPJWGTAASA-N 2 0 240.391 1.922 20 0 BDADRP CC(C)(C)[C@H]1C[C@@H](N[C@@H]2C[NH2+]C[C@H]2F)CC[NH2+]1 ZINC001246128064 972185330 /nfs/dbraw/zinc/18/53/30/972185330.db2.gz NDVOHPMQRQUJOF-IRCOFANPSA-N 2 0 243.370 1.053 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1C[NH2+]CC13CC3)C2 ZINC001246134147 972192236 /nfs/dbraw/zinc/19/22/36/972192236.db2.gz PIDGXXVXDKIMEK-XJFOESAGSA-N 2 0 249.402 1.343 20 0 BDADRP CC1(C)CCC([NH2+][C@H]2CO[C@@H]3C[NH2+]C[C@H]23)CC1 ZINC001246146809 972196393 /nfs/dbraw/zinc/19/63/93/972196393.db2.gz HPEXDRYUNPNFQG-FRRDWIJNSA-N 2 0 238.375 1.532 20 0 BDADRP [NH3+]CCc1nc2ccccc2n1[C@H]1CCC[NH2+]C1 ZINC001246169611 972200943 /nfs/dbraw/zinc/20/09/43/972200943.db2.gz CXWJTHVZPNVPQX-NSHDSACASA-N 2 0 244.342 1.462 20 0 BDADRP Cc1cnc(CC[NH3+])n1[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246175939 972205496 /nfs/dbraw/zinc/20/54/96/972205496.db2.gz JNYRJYQYJIGSHG-GXSJLCMTSA-N 2 0 222.336 1.006 20 0 BDADRP C[C@H]([NH2+]C1CC[NH2+]CC1)c1cccc(N)c1 ZINC001246178541 972208139 /nfs/dbraw/zinc/20/81/39/972208139.db2.gz YWSPMPDDMITNCN-JTQLQIEISA-N 2 0 219.332 1.671 20 0 BDADRP COC(=O)C1(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)CCC1 ZINC001246179710 972208794 /nfs/dbraw/zinc/20/87/94/972208794.db2.gz FFXBZYCOBOTTSG-MNOVXSKESA-N 2 0 240.347 1.060 20 0 BDADRP CC(C)[C@@H]1C[C@H](NC[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC001246194499 972212987 /nfs/dbraw/zinc/21/29/87/972212987.db2.gz MZJHRPDVJAFKDA-AGIUHOORSA-N 2 0 225.380 1.105 20 0 BDADRP CC(C)[C@@H]1C[C@@H](NC[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC001246194503 972213149 /nfs/dbraw/zinc/21/31/49/972213149.db2.gz MZJHRPDVJAFKDA-AVGNSLFASA-N 2 0 225.380 1.105 20 0 BDADRP CCCC[C@@H]1C[C@@H](N[C@H]2C[NH2+]C[C@H]2F)CC[NH2+]1 ZINC001246187652 972213296 /nfs/dbraw/zinc/21/32/96/972213296.db2.gz VTVWROHYPLUBCO-XQHKEYJVSA-N 2 0 243.370 1.197 20 0 BDADRP CC[C@@H]1C[C@H](N[C@H]2C[C@@H]([NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246192053 972214936 /nfs/dbraw/zinc/21/49/36/972214936.db2.gz YLAXBZSCVQTTQP-AQAXSTTCSA-N 2 0 225.380 1.375 20 0 BDADRP CC[C@@H]1CC(N[C@H]2C[C@@H]([NH3+])C2)C[C@@H](CC)[NH2+]1 ZINC001246192058 972215821 /nfs/dbraw/zinc/21/58/21/972215821.db2.gz YLAXBZSCVQTTQP-KKOKHZNYSA-N 2 0 225.380 1.375 20 0 BDADRP C[N@@H+]1CCC[C@H](NC[C@H]2CCC[NH2+]C2)CC1 ZINC001246197662 972215905 /nfs/dbraw/zinc/21/59/05/972215905.db2.gz BSJZOKCNZVFYPO-STQMWFEESA-N 2 0 225.380 1.060 20 0 BDADRP CCOCC[C@H](C)[NH2+]CCC[NH+](C)C ZINC001172405651 974660051 /nfs/dbraw/zinc/66/00/51/974660051.db2.gz AVQMJHUOPSLKNP-NSHDSACASA-N 2 0 202.342 1.343 20 0 BDADRP CC1(C)C[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)CO1 ZINC000396492298 956884433 /nfs/dbraw/zinc/88/44/33/956884433.db2.gz LNVVXNOWMNKOSO-DCAQKATOSA-N 2 0 212.337 1.413 20 0 BDADRP C[N@H+]1C[C@@H]2C[NH+](CCc3cccs3)C[C@@H]2C1 ZINC000193623281 972229705 /nfs/dbraw/zinc/22/97/05/972229705.db2.gz OEGIURPEJXYIAF-TXEJJXNPSA-N 2 0 236.384 1.784 20 0 BDADRP C[C@H]1CC[C@H](N[C@H]2CCCC[C@@H]2[NH+](C)C)C[NH2+]1 ZINC001246235364 972239542 /nfs/dbraw/zinc/23/95/42/972239542.db2.gz JZGKSLJYUNIDMA-XUXIUFHCSA-N 2 0 239.407 1.589 20 0 BDADRP CO[C@H]1CC[C@H]([NH2+][C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246235243 972240748 /nfs/dbraw/zinc/24/07/48/972240748.db2.gz GHLXCWWKQWSZAE-FVCCEPFGSA-N 2 0 226.364 1.674 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc2c1OCC2 ZINC000692967653 957161037 /nfs/dbraw/zinc/16/10/37/957161037.db2.gz RZKISLSLFGDYKU-JSGCOSHPSA-N 2 0 246.354 1.839 20 0 BDADRP C[C@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C1CCCC1 ZINC001246242479 972246388 /nfs/dbraw/zinc/24/63/88/972246388.db2.gz IYDRMROWASUTGX-AAEUAGOBSA-N 2 0 237.391 1.249 20 0 BDADRP C(C[C@@H]1CCCC[NH2+]1)N[C@H]1CCCC[NH2+]C1 ZINC001246242861 972246488 /nfs/dbraw/zinc/24/64/88/972246488.db2.gz HKXLJFXSKDOGKT-STQMWFEESA-N 2 0 225.380 1.250 20 0 BDADRP CC1(C)CCC[C@@H]1[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246283405 972256522 /nfs/dbraw/zinc/25/65/22/972256522.db2.gz BPKLBBXMULEHCN-NEPJUHHUSA-N 2 0 237.391 1.249 20 0 BDADRP C[NH2+]CCC(=O)NC[C@H](C)CC(C)(C)CC[NH3+] ZINC001220767001 972258371 /nfs/dbraw/zinc/25/83/71/972258371.db2.gz ZKCMCKQXXVEHCR-LLVKDONJSA-N 2 0 243.395 1.113 20 0 BDADRP [NH3+]CCCCCCCC(=O)N[C@H]1CCC[NH2+]C1 ZINC001220884427 972270699 /nfs/dbraw/zinc/27/06/99/972270699.db2.gz BSMQTVWVHPUHKL-LBPRGKRZSA-N 2 0 241.379 1.154 20 0 BDADRP CCOC(=O)C[C@H]1CCC[N@H+](CCCC[NH3+])C1 ZINC001209856679 957546380 /nfs/dbraw/zinc/54/63/80/957546380.db2.gz MMZWFLAIMBLJJG-GFCCVEGCSA-N 2 0 242.363 1.391 20 0 BDADRP CC[C@H]([NH3+])C[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246318532 972284816 /nfs/dbraw/zinc/28/48/16/972284816.db2.gz RQMYYKRXVIOKRH-LBPRGKRZSA-N 3 0 239.407 1.626 20 0 BDADRP C/C=C(\NC=[NH2+])n1ccc2cc(C[NH3+])cnc21 ZINC001167305271 957704180 /nfs/dbraw/zinc/70/41/80/957704180.db2.gz WJOMKPNGMYAIDJ-BIIKFXOESA-N 2 0 229.287 1.510 20 0 BDADRP C[NH+]1CCC(C[NH2+]C[C@@H](O)C2CCC2)CC1 ZINC000316573729 972288312 /nfs/dbraw/zinc/28/83/12/972288312.db2.gz MFTIKXRKPLOVSK-CYBMUJFWSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@H]1CCN(Cc2ccc3c(c2)C[NH2+]C3)CC[NH2+]1 ZINC001210498642 957767897 /nfs/dbraw/zinc/76/78/97/957767897.db2.gz RHVNKSJWNFLDPL-LBPRGKRZSA-N 2 0 245.370 1.474 20 0 BDADRP CC[C@H]1C[C@@H](N[C@H]2C[NH2+]CC[C@@H]2C)CC[NH2+]1 ZINC001246333630 972295813 /nfs/dbraw/zinc/29/58/13/972295813.db2.gz WCMZDTFIHVIQDO-CYDGBPFRSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@H]1C[C@@H]([NH2+][C@@]23CC[C@@]([NH3+])(C2)CCC3)CCO1 ZINC001246338931 972297226 /nfs/dbraw/zinc/29/72/26/972297226.db2.gz HIQWZBVVZUITSN-FQUUOJAGSA-N 2 0 238.375 1.948 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@]23C[C@H]2CCC3)CC1 ZINC000693214954 957930485 /nfs/dbraw/zinc/93/04/85/957930485.db2.gz ITTJMVRPSZFTDJ-CHWSQXEVSA-N 2 0 208.349 1.860 20 0 BDADRP Fc1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CC13C[NH2+]C3)C2 ZINC001246447918 972321277 /nfs/dbraw/zinc/32/12/77/972321277.db2.gz XQKOHNXREGSMJW-ZIAGYGMSSA-N 2 0 246.329 1.635 20 0 BDADRP COc1cc[nH+]c(N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000257642633 958331333 /nfs/dbraw/zinc/33/13/33/958331333.db2.gz FEMAZDYGHUITDS-NXEZZACHSA-N 2 0 221.304 1.772 20 0 BDADRP [NH3+][C@@H]1CCCC[C@@H]1N[C@H]1CC2CC[NH+](CC2)C1 ZINC001246477761 972347655 /nfs/dbraw/zinc/34/76/55/972347655.db2.gz KPSYZNZPXAMYEL-MJBXVCDLSA-N 2 0 237.391 1.330 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)C[C@H](C)[NH2+]1 ZINC001246478716 972350186 /nfs/dbraw/zinc/35/01/86/972350186.db2.gz XULZOCALWJGMAN-PPCPHDFISA-N 3 0 243.370 1.053 20 0 BDADRP C[C@H]1CC[C@@H](N(C)CCc2ccncc2)C[NH2+]1 ZINC000398981228 958474213 /nfs/dbraw/zinc/47/42/13/958474213.db2.gz DNJOOZFITFLTOS-GXTWGEPZSA-N 2 0 233.359 1.696 20 0 BDADRP C[C@@H](C[NH+]1CCCC1)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000399023516 958481068 /nfs/dbraw/zinc/48/10/68/958481068.db2.gz GITDNEJFVFLLQH-FRRDWIJNSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H]1CC[C@@H](NCC[NH+]2CCCCC2)C[NH2+]1 ZINC000399016543 958485887 /nfs/dbraw/zinc/48/58/87/958485887.db2.gz CJQIUPFPLHVUNT-CHWSQXEVSA-N 2 0 225.380 1.202 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCOC[C@@H](C)C2)CC[NH2+]1 ZINC000399033031 958493162 /nfs/dbraw/zinc/49/31/62/958493162.db2.gz MUZGLSWZSPBXGG-QJPTWQEYSA-N 2 0 212.337 1.095 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C1(C)C ZINC000693543479 958737390 /nfs/dbraw/zinc/73/73/90/958737390.db2.gz JKOXNUGYRDOTSC-WHOHXGKFSA-N 2 0 226.364 1.517 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@H](OC3CCC3)C2)C1 ZINC000693559741 958800468 /nfs/dbraw/zinc/80/04/68/958800468.db2.gz OLRIYNUOLBIBFC-SCRDCRAPSA-N 2 0 238.375 1.757 20 0 BDADRP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@@H](O)C1 ZINC001207274982 958843354 /nfs/dbraw/zinc/84/33/54/958843354.db2.gz ICQJOTDMWYUHAT-LLVKDONJSA-N 2 0 214.353 1.031 20 0 BDADRP C[C@@H]1C[N@H+](CC(C)(C)C[NH+](C)C)CCC[C@@H]1O ZINC001207276497 958849510 /nfs/dbraw/zinc/84/95/10/958849510.db2.gz YJMIXRRQYGOVLD-OLZOCXBDSA-N 2 0 242.407 1.667 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@H](CCF)C2)C1 ZINC000693566232 958857032 /nfs/dbraw/zinc/85/70/32/958857032.db2.gz DBLJWHOHQMSDPL-UTUOFQBUSA-N 2 0 214.328 1.795 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@H]3CCC[C@@H]32)C1 ZINC000693566966 958860250 /nfs/dbraw/zinc/86/02/50/958860250.db2.gz FFEZJLLNEHGDRK-NDBYEHHHSA-N 2 0 208.349 1.988 20 0 BDADRP C[NH2+]CCN1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222154403 972398326 /nfs/dbraw/zinc/39/83/26/972398326.db2.gz KYEHNHCWZINVEC-AWEZNQCLSA-N 2 0 239.407 1.452 20 0 BDADRP COc1cc(C[N@@H+]2CC[C@H](CC[NH3+])C2)sn1 ZINC000690757796 959226096 /nfs/dbraw/zinc/22/60/96/959226096.db2.gz WNKVABINDOWZRN-VIFPVBQESA-N 2 0 241.360 1.322 20 0 BDADRP C([C@H]1CCC[NH2+]1)N1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222258521 972428198 /nfs/dbraw/zinc/42/81/98/972428198.db2.gz BYJIKVVBDDUBFC-ZIAGYGMSSA-N 2 0 237.391 1.204 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC000405309087 959431919 /nfs/dbraw/zinc/43/19/19/959431919.db2.gz ZLGJFERGEBOEOL-UPJWGTAASA-N 2 0 234.343 1.435 20 0 BDADRP CSC[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405327638 959438657 /nfs/dbraw/zinc/43/86/57/959438657.db2.gz VBSHWMXPAUYSSD-IVZWLZJFSA-N 2 0 214.378 1.597 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CO[C@@H](C)[C@@H]1C ZINC000405575467 959463044 /nfs/dbraw/zinc/46/30/44/959463044.db2.gz HSBBEYZGYDJXGP-NOOOWODRSA-N 2 0 214.353 1.340 20 0 BDADRP [NH3+][C@@H]1CCC[N@H+](C[C@@H]2CCCOC2)CC1 ZINC000708503751 959525956 /nfs/dbraw/zinc/52/59/56/959525956.db2.gz KUWVNMXKWFIVFK-NWDGAFQWSA-N 2 0 212.337 1.226 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001246531418 972440308 /nfs/dbraw/zinc/44/03/08/972440308.db2.gz QTXKAOSPFHXHBY-KBPBESRZSA-N 3 0 241.423 1.920 20 0 BDADRP C[NH2+]CCCN1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385430 972451224 /nfs/dbraw/zinc/45/12/24/972451224.db2.gz MUWOFMBCBMXWRP-CYBMUJFWSA-N 2 0 225.380 1.204 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@H]1OC[C@@H]1CCC[NH2+]C1 ZINC001217915938 959750136 /nfs/dbraw/zinc/75/01/36/959750136.db2.gz BEFHHCOTDVFTSF-IJLUTSLNSA-N 2 0 212.337 1.001 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@H]1OCCCC1CC[NH2+]CC1 ZINC001217916773 959752540 /nfs/dbraw/zinc/75/25/40/959752540.db2.gz LSRLTGTYVQQVKH-TZMCWYRMSA-N 2 0 240.391 1.781 20 0 BDADRP CC(C)(C)[C@H]1C[C@@H](N2CC[C@](C)([NH3+])C2)CC[NH2+]1 ZINC001246531756 972455464 /nfs/dbraw/zinc/45/54/64/972455464.db2.gz TZUBOUWKYLXJIR-SCRDCRAPSA-N 2 0 239.407 1.576 20 0 BDADRP Cc1c(O[C@H]2C[NH2+]C[C@H]2C)ccc2c1CC[NH2+]C2 ZINC001217964598 959802985 /nfs/dbraw/zinc/80/29/85/959802985.db2.gz DJZFKPOXWRVADJ-BMIGLBTASA-N 2 0 246.354 1.627 20 0 BDADRP [NH3+]C[C@H]1CCC[N@H+](C[C@H](O)CC2CCCC2)C1 ZINC000300028619 959814456 /nfs/dbraw/zinc/81/44/56/959814456.db2.gz JMZAMOFSPQOQHK-ZIAGYGMSSA-N 2 0 240.391 1.598 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1Oc1ccc(CC[NH3+])cc1 ZINC001218028652 959839682 /nfs/dbraw/zinc/83/96/82/959839682.db2.gz WBSSHVPPUOZGFQ-WFASDCNBSA-N 2 0 248.370 1.955 20 0 BDADRP CCc1cc(-n2ccc(C[NH3+])cc2=N)cc[nH+]1 ZINC001167693299 959854383 /nfs/dbraw/zinc/85/43/83/959854383.db2.gz HGXVYDVVJCMUBM-UHFFFAOYSA-N 2 0 228.299 1.373 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccc(O)cc2)C[C@H]1C[NH3+] ZINC000708867803 959991331 /nfs/dbraw/zinc/99/13/31/959991331.db2.gz FMFCOEOWEGQCGW-CMPLNLGQSA-N 2 0 220.316 1.419 20 0 BDADRP C([C@@H]1CCCC[NH2+]1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222421557 972472234 /nfs/dbraw/zinc/47/22/34/972472234.db2.gz NBKYUDURSVXQEA-KBPBESRZSA-N 2 0 237.391 1.347 20 0 BDADRP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CCCC1=O ZINC001207436932 960087953 /nfs/dbraw/zinc/08/79/53/960087953.db2.gz XCHBZORQSODNSR-LLVKDONJSA-N 2 0 224.348 1.287 20 0 BDADRP C[NH2+]CCNc1cc[nH+]cc1C(F)(F)F ZINC001167724236 960235459 /nfs/dbraw/zinc/23/54/59/960235459.db2.gz LWRDSRSUOJNYHG-UHFFFAOYSA-N 2 0 219.210 1.154 20 0 BDADRP C[NH2+]CCNc1ccc2c(N)cc[nH+]c2c1 ZINC001167725699 960245042 /nfs/dbraw/zinc/24/50/42/960245042.db2.gz HBQYDURKGGBSCG-UHFFFAOYSA-N 2 0 216.288 1.448 20 0 BDADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ncc[nH]1)CC2 ZINC000709065238 960267537 /nfs/dbraw/zinc/26/75/37/960267537.db2.gz NFVOMRKZPABTFW-UHFFFAOYSA-N 2 0 248.374 1.718 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000709391228 960555862 /nfs/dbraw/zinc/55/58/62/960555862.db2.gz NIARZCJYSANXPL-BWOQGFTMSA-N 2 0 224.348 1.427 20 0 BDADRP CCCCCC[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222492119 972518915 /nfs/dbraw/zinc/51/89/15/972518915.db2.gz OUSHSDINSCPVIS-KBPBESRZSA-N 2 0 239.407 1.593 20 0 BDADRP CC[C@@H](C)C[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222491431 972516558 /nfs/dbraw/zinc/51/65/58/972516558.db2.gz AUHZYXGEFJAERY-AGIUHOORSA-N 2 0 225.380 1.058 20 0 BDADRP C1CC1[NH+]1CCC(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000709429562 960607768 /nfs/dbraw/zinc/60/77/68/960607768.db2.gz YZIYZNOJQJKAAD-PBWFPOADSA-N 2 0 249.402 1.486 20 0 BDADRP c1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1 ZINC000709446953 960613577 /nfs/dbraw/zinc/61/35/77/960613577.db2.gz LCAAGARQWVHKFW-PBWFPOADSA-N 2 0 231.343 1.497 20 0 BDADRP CC1(O)CC[NH+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000709484382 960618243 /nfs/dbraw/zinc/61/82/43/960618243.db2.gz ZFXLMJXNLCRYIM-FOSCPWQOSA-N 2 0 224.348 1.116 20 0 BDADRP O[C@@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000709489028 960621053 /nfs/dbraw/zinc/62/10/53/960621053.db2.gz GHQPGBWILSPWKO-ZGVCCVRISA-N 2 0 224.348 1.116 20 0 BDADRP C[NH+]1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000709488095 960622258 /nfs/dbraw/zinc/62/22/58/960622258.db2.gz NXXGXGBBFDACJA-PBWFPOADSA-N 3 0 237.391 1.201 20 0 BDADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCO1 ZINC000709486156 960628613 /nfs/dbraw/zinc/62/86/13/960628613.db2.gz DUFHCXCQCQRQHC-UVYIHGJDSA-N 2 0 224.348 1.427 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC[NH2+]1 ZINC000925701057 960691997 /nfs/dbraw/zinc/69/19/97/960691997.db2.gz UZTRVTUIQFFXNL-LPWJVIDDSA-N 2 0 239.407 1.623 20 0 BDADRP C[NH+]1CCC(O[C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001222504341 972526456 /nfs/dbraw/zinc/52/64/56/972526456.db2.gz RBXMZCSYMXKGSX-GFCCVEGCSA-N 2 0 226.364 1.582 20 0 BDADRP C[NH+]1CCC(O[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001222503703 972528633 /nfs/dbraw/zinc/52/86/33/972528633.db2.gz FGKFNIFQPDTEDF-ZDUSSCGKSA-N 2 0 224.348 1.191 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CCSC[C@@H]1CCO ZINC000689822466 960919259 /nfs/dbraw/zinc/91/92/59/960919259.db2.gz SKRUVZCUSDCTNV-LBPRGKRZSA-N 2 0 246.420 1.305 20 0 BDADRP CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]C(C)C)[NH+](C)C ZINC001268092806 961201754 /nfs/dbraw/zinc/20/17/54/961201754.db2.gz FVNGSDORJJCCSF-NEPJUHHUSA-N 2 0 243.395 1.172 20 0 BDADRP [NH2+]=CNc1ccc([C@@]23CC[NH2+][C@@H]2COCC3)cc1 ZINC001167864859 961331936 /nfs/dbraw/zinc/33/19/36/961331936.db2.gz KBMSEENEYDFNLY-KGLIPLIRSA-N 2 0 245.326 1.726 20 0 BDADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)CCCCC[NH3+] ZINC000841851624 961448507 /nfs/dbraw/zinc/44/85/07/961448507.db2.gz QXCGHBUAQQDODQ-WZRBSPASSA-N 2 0 241.379 1.008 20 0 BDADRP [NH2+]=C(NCCCC[NH3+])Nc1cncnc1C1CC1 ZINC001167880972 961460803 /nfs/dbraw/zinc/46/08/03/961460803.db2.gz BWMPDHKXLDSFRT-UHFFFAOYSA-N 2 0 248.334 1.029 20 0 BDADRP [NH2+]=C(NCCCC[NH3+])Nc1cccc2c1OCC2 ZINC001167881953 961463308 /nfs/dbraw/zinc/46/33/08/961463308.db2.gz NTRQXNJCGYFMNN-UHFFFAOYSA-N 2 0 248.330 1.297 20 0 BDADRP C[NH+]1CCN(CCC[NH2+][C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167891950 961490810 /nfs/dbraw/zinc/49/08/10/961490810.db2.gz QNUSQCGAINTFJI-WDNDVIMCSA-N 2 0 237.391 1.012 20 0 BDADRP C[N@H+]([C@@H]1C[C@H]2C[C@H]2C1)C1CCC([NH3+])CC1 ZINC001167901184 961607292 /nfs/dbraw/zinc/60/72/92/961607292.db2.gz CNUQVYQEUPHRDN-CFGBPNLYSA-N 2 0 208.349 1.987 20 0 BDADRP C[NH+](C)CC(C)(C)CNc1cc[nH+]c(N)n1 ZINC000087807885 961754576 /nfs/dbraw/zinc/75/45/76/961754576.db2.gz FSHKEPCUTOKGTM-UHFFFAOYSA-N 2 0 223.324 1.059 20 0 BDADRP Cc1c2cc[nH]c2ncc1NC(=[NH2+])SCC[NH3+] ZINC001167915578 961848775 /nfs/dbraw/zinc/84/87/75/961848775.db2.gz UUIZFHSFCOKHAE-UHFFFAOYSA-N 2 0 249.343 1.861 20 0 BDADRP CNc1ccccc1NC(=[NH2+])SCC[NH3+] ZINC001167916789 961871406 /nfs/dbraw/zinc/87/14/06/961871406.db2.gz XLPUWALISFHJDZ-UHFFFAOYSA-N 2 0 224.333 1.767 20 0 BDADRP CCC[N@H+](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001268742203 962331872 /nfs/dbraw/zinc/33/18/72/962331872.db2.gz FLCLPZYAOPUCNY-GFCCVEGCSA-N 2 0 243.395 1.175 20 0 BDADRP C[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167958513 962827450 /nfs/dbraw/zinc/82/74/50/962827450.db2.gz GHHWMHAZUVFVCF-HLVVYCRESA-N 2 0 238.375 1.362 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCc2ccsc2C1 ZINC000712307367 962855047 /nfs/dbraw/zinc/85/50/47/962855047.db2.gz ZIPAXGHUTJUZSX-UHFFFAOYSA-N 2 0 210.346 1.845 20 0 BDADRP Cc1[nH+]c(-n2cnc(C[NH3+])c2)cc2[nH]ccc21 ZINC001154908659 962898234 /nfs/dbraw/zinc/89/82/34/962898234.db2.gz COCWGDOSYQFPPO-UHFFFAOYSA-N 2 0 227.271 1.516 20 0 BDADRP C[NH+](C)CC1(CN2CC(C)([NH3+])C2)CCCC1 ZINC001204965996 962987958 /nfs/dbraw/zinc/98/79/58/962987958.db2.gz MUKGDVKDEMEKFA-UHFFFAOYSA-N 2 0 225.380 1.141 20 0 BDADRP [NH3+][C@H]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167964472 962993155 /nfs/dbraw/zinc/99/31/55/962993155.db2.gz QSEHRYSSSONYCZ-RDGKXADDSA-N 2 0 249.402 1.425 20 0 BDADRP c1cc2c(cc[nH+]c2NC[C@@]23C[NH2+][C@@H](CO2)C3)[nH]1 ZINC001155537520 963105474 /nfs/dbraw/zinc/10/54/74/963105474.db2.gz NHYZTHSXRZIEAO-NOZJJQNGSA-N 2 0 244.298 1.106 20 0 BDADRP C/C=C(\NC=[NH2+])N(C(N)=[NH2+])c1ccc(F)cc1 ZINC001167989690 963171834 /nfs/dbraw/zinc/17/18/34/963171834.db2.gz DFLTUTCSAISMQO-WTDSWWLTSA-N 2 0 235.266 1.584 20 0 BDADRP CC(C)[C@H]1CN(c2cc[nH+]cc2CO)CC[N@@H+]1C ZINC000895025955 963178996 /nfs/dbraw/zinc/17/89/96/963178996.db2.gz DMILCCKMWVKSOC-CQSZACIVSA-N 2 0 249.358 1.350 20 0 BDADRP C[C@H](C[NH+](C)C)Nc1cc(C[NH+](C)C)ccn1 ZINC001155922452 963203642 /nfs/dbraw/zinc/20/36/42/963203642.db2.gz WJRSKOKFZJXHBQ-LLVKDONJSA-N 2 0 236.363 1.505 20 0 BDADRP C[N@@H+]1CCC[C@@H](CCNc2cc(N)cc[nH+]2)C1 ZINC001156381284 963330998 /nfs/dbraw/zinc/33/09/98/963330998.db2.gz PVQFWOCHJNOVQJ-NSHDSACASA-N 2 0 234.347 1.808 20 0 BDADRP C[NH2+]CCNc1cc(N2CCCC2)cc[nH+]1 ZINC001156893661 963485555 /nfs/dbraw/zinc/48/55/55/963485555.db2.gz NNRUDFIWPQRLSY-UHFFFAOYSA-N 2 0 220.320 1.313 20 0 BDADRP C[NH2+]CCNc1ncccc1C[NH+]1CCCC1 ZINC001156897469 963487618 /nfs/dbraw/zinc/48/76/18/963487618.db2.gz ROLMJSRLUHVNTR-UHFFFAOYSA-N 2 0 234.347 1.309 20 0 BDADRP Cc1c[nH+]c(N2CC[C@H]([N@@H+](C)C(C)C)C2)cc1N ZINC001157022153 963514871 /nfs/dbraw/zinc/51/48/71/963514871.db2.gz UXUVRXUSANPHKL-LBPRGKRZSA-N 2 0 248.374 1.891 20 0 BDADRP Cc1ccc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)cn1 ZINC000310569059 963542722 /nfs/dbraw/zinc/54/27/22/963542722.db2.gz YRLWBHHUIMPCFG-ZDUSSCGKSA-N 2 0 233.359 1.951 20 0 BDADRP CC(C)[NH+]1CC(Nc2cc(N(C)C)cc[nH+]2)C1 ZINC001157532765 963647273 /nfs/dbraw/zinc/64/72/73/963647273.db2.gz ZLGHNFKDRNJQSC-UHFFFAOYSA-N 2 0 234.347 1.652 20 0 BDADRP CC[C@H]([NH3+])CNC(=O)[C@H]([NH3+])C1CCCCCC1 ZINC001357473943 963672547 /nfs/dbraw/zinc/67/25/47/963672547.db2.gz JNWJOZQUQGEOTL-NWDGAFQWSA-N 2 0 241.379 1.138 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(CC3CC3)C2)CCO1 ZINC001168093733 963697612 /nfs/dbraw/zinc/69/76/12/963697612.db2.gz OGHJCTAGRFATEM-XBFCOCLRSA-N 2 0 238.375 1.628 20 0 BDADRP Cc1c[nH+]c(N2CCC[C@H]([NH3+])[C@@H]2C)cc1N ZINC001157742930 963713328 /nfs/dbraw/zinc/71/33/28/963713328.db2.gz GIRYPBOAYLHLOP-UWVGGRQHSA-N 2 0 220.320 1.288 20 0 BDADRP CCC1(Nc2cc(-n3ccnc3)cc[nH+]2)C[NH2+]C1 ZINC001157787925 963724907 /nfs/dbraw/zinc/72/49/07/963724907.db2.gz QQKRCPSBTTZLFL-UHFFFAOYSA-N 2 0 243.314 1.431 20 0 BDADRP [NH3+][C@H]1CCC[N@@H+](C2CCSCC2)CC1 ZINC000725661063 963793380 /nfs/dbraw/zinc/79/33/80/963793380.db2.gz CFRKUHRPDAWWLL-JTQLQIEISA-N 2 0 214.378 1.695 20 0 BDADRP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H](O)C[NH3+] ZINC001168150156 963868916 /nfs/dbraw/zinc/86/89/16/963868916.db2.gz RHKHAXQRKNZWSN-SKDRFNHKSA-N 2 0 242.750 1.180 20 0 BDADRP Nc1cc[nH+]c(NCC[C@H]2CCC[NH2+]2)c1 ZINC001158628670 963898329 /nfs/dbraw/zinc/89/83/29/963898329.db2.gz IVXFVGABCHGSQJ-SNVBAGLBSA-N 2 0 206.293 1.218 20 0 BDADRP c1nc2c(cc1NC1=CCC[NH2+]CC1)C[NH2+]CC2 ZINC001159140995 964006785 /nfs/dbraw/zinc/00/67/85/964006785.db2.gz UAXUMHWABPICKM-UHFFFAOYSA-N 2 0 244.342 1.407 20 0 BDADRP CCOc1cc[nH+]c(NCC2C[NH+](C)C2)c1 ZINC001159218964 964015251 /nfs/dbraw/zinc/01/52/51/964015251.db2.gz UWOPCYQTFRPQTD-UHFFFAOYSA-N 2 0 221.304 1.454 20 0 BDADRP COc1ccc2c(c1)C[C@H](N1CCC[C@@H]([NH3+])C1)C2 ZINC001168234527 964026007 /nfs/dbraw/zinc/02/60/07/964026007.db2.gz BBHQTZGKQOQCAP-ZIAGYGMSSA-N 2 0 246.354 1.586 20 0 BDADRP COc1ccc2c(c1)C[C@H]([N@H+](C)C[C@H](C)C[NH3+])C2 ZINC001168245322 964054792 /nfs/dbraw/zinc/05/47/92/964054792.db2.gz WRQWEKDRFNNRFM-BXUZGUMPSA-N 2 0 248.370 1.689 20 0 BDADRP c1c(N=C2CC[NH2+]CC2)onc1[C@H]1CCCC[NH2+]1 ZINC001159309610 964059584 /nfs/dbraw/zinc/05/95/84/964059584.db2.gz WMRYRFLCDHNTOY-LLVKDONJSA-N 2 0 248.330 1.778 20 0 BDADRP C[C@@H](Nc1ccc2c([nH+]1)CCC2)[C@@H]1C[NH2+]CCO1 ZINC001159495551 964110822 /nfs/dbraw/zinc/11/08/22/964110822.db2.gz GAQDMFIUGFJNQY-MFKMUULPSA-N 2 0 247.342 1.359 20 0 BDADRP C[C@H](Nc1cc2[nH]ccc2c[nH+]1)[C@H]1C[NH2+]CCO1 ZINC001159488285 964113002 /nfs/dbraw/zinc/11/30/02/964113002.db2.gz BONGVLZUEYKGPL-JOYOIKCWSA-N 2 0 246.314 1.352 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1cc(Cl)cc(Cl)n1 ZINC001159779701 964182439 /nfs/dbraw/zinc/18/24/39/964182439.db2.gz IGUSZTZWWYHRQK-QMMMGPOBSA-N 2 0 249.145 1.824 20 0 BDADRP c1cc2c(c(NC3=C[NH2+]CCC3)c1)C[NH2+]C2 ZINC001159766690 964186787 /nfs/dbraw/zinc/18/67/87/964186787.db2.gz FBEONLCNGDWBEA-UHFFFAOYSA-N 2 0 215.300 1.927 20 0 BDADRP Cc1cc(C)nc(N[C@H]([NH3+])CCC[NH3+])c1 ZINC001159780228 964193840 /nfs/dbraw/zinc/19/38/40/964193840.db2.gz USPUYFQANIOKRF-JTQLQIEISA-N 2 0 208.309 1.134 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ncc(Cl)cc1F ZINC001159780342 964194749 /nfs/dbraw/zinc/19/47/49/964194749.db2.gz YBYTZLJZSNNUGR-MRVPVSSYSA-N 2 0 232.690 1.310 20 0 BDADRP COc1cc(Cl)nc(N[C@@H]([NH3+])CCC[NH3+])c1 ZINC001159784933 964196555 /nfs/dbraw/zinc/19/65/55/964196555.db2.gz MQVBIEUGZYZBTE-SECBINFHSA-N 2 0 244.726 1.179 20 0 BDADRP COc1ccc(Cl)nc1N[C@H]([NH3+])CCC[NH3+] ZINC001159786227 964198695 /nfs/dbraw/zinc/19/86/95/964198695.db2.gz XCXLEFPOKMSXKZ-VIFPVBQESA-N 2 0 244.726 1.179 20 0 BDADRP Cc1ccc2ccnc(N[C@@H]([NH3+])CCC[NH3+])c2c1 ZINC001159786330 964199923 /nfs/dbraw/zinc/19/99/23/964199923.db2.gz YITMDNYVIZQRIG-CYBMUJFWSA-N 2 0 244.342 1.979 20 0 BDADRP Cc1cnc(N[C@@H]([NH3+])CCC[NH3+])cc1C ZINC001159787672 964202031 /nfs/dbraw/zinc/20/20/31/964202031.db2.gz AZTTVEFMZBBNTA-SNVBAGLBSA-N 2 0 208.309 1.134 20 0 BDADRP Cc1cc(Cl)c(C)nc1N[C@H]([NH3+])CCC[NH3+] ZINC001159786572 964203050 /nfs/dbraw/zinc/20/30/50/964203050.db2.gz DUUDOBWRLSFPQV-JTQLQIEISA-N 2 0 242.754 1.787 20 0 BDADRP Cc1cc(N[C@@H]([NH3+])CCC[NH3+])nc(C2CC2)n1 ZINC001159789755 964205317 /nfs/dbraw/zinc/20/53/17/964205317.db2.gz WQNCUORHRFUVHP-SNVBAGLBSA-N 2 0 235.335 1.098 20 0 BDADRP c1cc2c(nc1NC[C@@H]1CCCC[NH2+]1)CC[NH2+]C2 ZINC001160144270 964253549 /nfs/dbraw/zinc/25/35/49/964253549.db2.gz ASLGDOXIMPEBJD-LBPRGKRZSA-N 2 0 246.358 1.281 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@H]2CC[C@H](O)C2)CC1 ZINC001168290250 964382372 /nfs/dbraw/zinc/38/23/72/964382372.db2.gz HAIXQHUBTGUFQB-MVKMKZAISA-N 2 0 226.364 1.362 20 0 BDADRP C[C@@H]([NH3+])c1ccn(C2CCC([NH+](C)C)CC2)n1 ZINC001168298182 964393954 /nfs/dbraw/zinc/39/39/54/964393954.db2.gz CVODYAJANDZMNL-VOMCLLRMSA-N 2 0 236.363 1.948 20 0 BDADRP CN(CC1CCCCC1)C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001160713637 964400803 /nfs/dbraw/zinc/40/08/03/964400803.db2.gz ISIGFKNUGSDDFH-LBPRGKRZSA-N 2 0 241.379 1.091 20 0 BDADRP CO[C@H]1CC[N@@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168315554 964424125 /nfs/dbraw/zinc/42/41/25/964424125.db2.gz YRCRXEOAWQYLCF-BPCQOVAHSA-N 2 0 226.364 1.580 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2CCC[C@@H](O)CC2)CC1 ZINC001168315557 964425332 /nfs/dbraw/zinc/42/53/32/964425332.db2.gz YVZWIFIYLLWREW-JXQTWKCFSA-N 2 0 240.391 1.706 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2CCCC(=O)CC2)CC1 ZINC001168318960 964435784 /nfs/dbraw/zinc/43/57/84/964435784.db2.gz JHHOCKUEKUDYKA-UHFFFAOYSA-N 2 0 238.375 1.914 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2CCC[C@H](CO)C2)CC1 ZINC001168316094 964438525 /nfs/dbraw/zinc/43/85/25/964438525.db2.gz VRKHPWJGGUIWCN-HSBZDZAISA-N 2 0 240.391 1.564 20 0 BDADRP CC(C)(C)[C@H](C[NH3+])Nc1ccc2c(n1)CC[NH2+]C2 ZINC001160912580 964441885 /nfs/dbraw/zinc/44/18/85/964441885.db2.gz QZNVFMOTUQAIJL-LBPRGKRZSA-N 2 0 248.374 1.513 20 0 BDADRP C[NH+](C)C1CCC([N@H+](C)CC2(C)COC2)CC1 ZINC001168324619 964446820 /nfs/dbraw/zinc/44/68/20/964446820.db2.gz RRHADIIOQFRHJT-UHFFFAOYSA-N 2 0 240.391 1.828 20 0 BDADRP CCOc1cc[nH+]c(NC/C=C/C[NH3+])c1 ZINC001160977305 964455556 /nfs/dbraw/zinc/45/55/56/964455556.db2.gz SYMGYDBFBCZPIT-ONEGZZNKSA-N 2 0 207.277 1.407 20 0 BDADRP C[C@H]([NH3+])c1cccc(C(=O)N2CC[NH2+][C@H](C)C2)c1 ZINC001161023213 964483229 /nfs/dbraw/zinc/48/32/29/964483229.db2.gz CDMLSKMBUBKCHP-MNOVXSKESA-N 2 0 247.342 1.140 20 0 BDADRP C[C@@H](CNC1=[NH+]CCCCN1)[NH+]1CCCCC1 ZINC000697669366 964493450 /nfs/dbraw/zinc/49/34/50/964493450.db2.gz GEOUHOSJBNOSLX-LBPRGKRZSA-N 2 0 238.379 1.190 20 0 BDADRP CC[C@@](C)(C[NH2+]CC[C@@H](C)[NH+](C)C)OC ZINC000697824912 964547173 /nfs/dbraw/zinc/54/71/73/964547173.db2.gz CTMGTTZKCPBFMS-NEPJUHHUSA-N 2 0 216.369 1.731 20 0 BDADRP C[C@H](CC[NH2+][C@@H]1CCO[C@H]1C)[NH+](C)C ZINC000697857872 964567444 /nfs/dbraw/zinc/56/74/44/964567444.db2.gz KWCLGVUINOGSQR-OUAUKWLOSA-N 2 0 200.326 1.094 20 0 BDADRP C[NH+](C)CCNc1cc(N)c(C(F)(F)F)c[nH+]1 ZINC001161666532 964668058 /nfs/dbraw/zinc/66/80/58/964668058.db2.gz RBWOVJNAIPUGDR-UHFFFAOYSA-N 2 0 248.252 1.656 20 0 BDADRP CCC[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001483138764 964765927 /nfs/dbraw/zinc/76/59/27/964765927.db2.gz QFQOJDDNVNQUKC-NEPJUHHUSA-N 2 0 243.395 1.077 20 0 BDADRP Cc1c[nH+]c(NC2C[NH+](C(C)(C)C)C2)cc1N ZINC001162225166 964878490 /nfs/dbraw/zinc/87/84/90/964878490.db2.gz CNULYKHJVDKUHQ-UHFFFAOYSA-N 2 0 234.347 1.867 20 0 BDADRP Cc1cc[nH+]c(NCCC[NH2+]CCCC[NH3+])c1 ZINC001162288985 964914081 /nfs/dbraw/zinc/91/40/81/964914081.db2.gz BYAJQMTUWYBAKH-UHFFFAOYSA-N 3 0 236.363 1.521 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](OCCC[NH+]2CCCC2)C1 ZINC001224745240 964916909 /nfs/dbraw/zinc/91/69/09/964916909.db2.gz ZBJFQTXIFAAAFK-CQSZACIVSA-N 2 0 240.391 1.972 20 0 BDADRP [NH3+]Cc1cc(N[C@@H]2CCC[C@@H]([NH3+])C2)ccn1 ZINC001162400282 964958408 /nfs/dbraw/zinc/95/84/08/964958408.db2.gz GUCRULBWQKKLEV-NXEZZACHSA-N 2 0 220.320 1.222 20 0 BDADRP C[C@H]([NH3+])c1ccc(N[C@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC001162406090 964964476 /nfs/dbraw/zinc/96/44/76/964964476.db2.gz ZESFGJYETDVEPV-AXFHLTTASA-N 2 0 234.347 1.783 20 0 BDADRP C[C@H]1C[NH2+]CCC[C@@H]1CNc1ccc[n+](C)c1 ZINC001162469470 964986782 /nfs/dbraw/zinc/98/67/82/964986782.db2.gz BVXHLAUKJDLTML-QWHCGFSZSA-N 2 0 234.367 1.559 20 0 BDADRP C[C@H]1C[NH2+]CCC[C@@H]1C[NH2+]c1cccc(=O)n1C ZINC001162465687 964989699 /nfs/dbraw/zinc/98/96/99/964989699.db2.gz JFKSSQDANAZTMR-NWDGAFQWSA-N 2 0 249.358 1.433 20 0 BDADRP CC[N@@H+]1CC[C@@H](OCCC[NH+]2CCCCC2)C1 ZINC001224856117 965030647 /nfs/dbraw/zinc/03/06/47/965030647.db2.gz XEBAQHBOKAMKLY-CQSZACIVSA-N 2 0 240.391 1.973 20 0 BDADRP CC(C)([NH3+])c1ccccc1-n1nccc1C[NH3+] ZINC001162598130 965067421 /nfs/dbraw/zinc/06/74/21/965067421.db2.gz PMDMJKGSVKRPDW-UHFFFAOYSA-N 2 0 230.315 1.525 20 0 BDADRP [NH3+]Cc1ccnn1-c1cc[nH+]c(C2CC2)c1 ZINC001162598366 965069640 /nfs/dbraw/zinc/06/96/40/965069640.db2.gz VNMNHKCHFVADOD-UHFFFAOYSA-N 2 0 214.272 1.603 20 0 BDADRP C[N@H+](CC1COC1)C1CC[NH+](CC2CC2)CC1 ZINC001168388027 965116432 /nfs/dbraw/zinc/11/64/32/965116432.db2.gz ZYEYZYZPUXYJDV-UHFFFAOYSA-N 2 0 238.375 1.439 20 0 BDADRP C[C@H]([NH3+])c1nc2ccccc2n1-c1c[nH+]cn1C ZINC001162765480 965159596 /nfs/dbraw/zinc/15/95/96/965159596.db2.gz HKCCKHNXFQXNDH-VIFPVBQESA-N 2 0 241.298 1.779 20 0 BDADRP CN(C)c1cccc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)[nH+]1 ZINC001162791070 965177689 /nfs/dbraw/zinc/17/76/89/965177689.db2.gz YVGXQOQLLRQGFQ-SDDRHHMPSA-N 2 0 244.342 1.334 20 0 BDADRP Cc1ccc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)[nH+]c1C ZINC001162792934 965182641 /nfs/dbraw/zinc/18/26/41/965182641.db2.gz JGUOMYPZJDMGQV-YNEHKIRRSA-N 2 0 229.327 1.884 20 0 BDADRP Nc1cc[nH+]c(NC[C@@H]2CC[NH2+]C[C@@H]2F)c1 ZINC001162803654 965186259 /nfs/dbraw/zinc/18/62/59/965186259.db2.gz TYEGBFJSOSYRBB-WPRPVWTQSA-N 2 0 224.283 1.023 20 0 BDADRP Cc1cnc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)c(C[NH3+])c1 ZINC001162799357 965188711 /nfs/dbraw/zinc/18/87/11/965188711.db2.gz YGTOFUYTCHPPDR-WCFLWFBJSA-N 2 0 244.342 1.035 20 0 BDADRP CCCC(C[NH3+])(CCC)Nc1cc(N)ncn1 ZINC001163040791 965237281 /nfs/dbraw/zinc/23/72/81/965237281.db2.gz RMEHCNGACNFMCR-UHFFFAOYSA-N 2 0 237.351 1.768 20 0 BDADRP c1cc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)cc(C2CC2)[nH+]1 ZINC001163147013 965265268 /nfs/dbraw/zinc/26/52/68/965265268.db2.gz BZMHGNSGLKURAA-MRVWCRGKSA-N 2 0 245.326 1.358 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CC2([NH3+])CC2)[C@@H](n2cncn2)C1 ZINC001120356856 965278647 /nfs/dbraw/zinc/27/86/47/965278647.db2.gz MIKOBCJXXZXLLI-WOPDTQHZSA-N 2 0 249.362 1.089 20 0 BDADRP [NH3+]C1CC([NH2+][C@H]2CCc3cc(F)ccc3C2)C1 ZINC001168412500 965294673 /nfs/dbraw/zinc/29/46/73/965294673.db2.gz OUHFNVWNAXQRMY-MOKVOYLWSA-N 2 0 234.318 1.762 20 0 BDADRP CCN(C)c1cccc(N2CCC([NH3+])CC2)[nH+]1 ZINC001163585351 965468313 /nfs/dbraw/zinc/46/83/13/965468313.db2.gz XELVDGNSAYUDJN-UHFFFAOYSA-N 2 0 234.347 1.465 20 0 BDADRP C[C@H]1CC[C@@H](C[NH3+])N1Cc1ccc2c[nH]nc2c1 ZINC001205076910 965497191 /nfs/dbraw/zinc/49/71/91/965497191.db2.gz ZEZZTOWZHOCETP-GWCFXTLKSA-N 2 0 244.342 1.875 20 0 BDADRP C[C@]1(C(F)F)C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000698767773 965497365 /nfs/dbraw/zinc/49/73/65/965497365.db2.gz UZHZSUNEBMUERX-WCABBAIRSA-N 2 0 234.290 1.080 20 0 BDADRP C[N@H+](CCOCC[NH3+])Cc1cccc(Cl)n1 ZINC000698884811 965584061 /nfs/dbraw/zinc/58/40/61/965584061.db2.gz YLQUIWFQSLNIIH-UHFFFAOYSA-N 2 0 243.738 1.142 20 0 BDADRP C[C@H]1CC[C@@H](C[NH3+])N1Cc1ccc2c(c1)C[NH2+]C2 ZINC001205083005 965608796 /nfs/dbraw/zinc/60/87/96/965608796.db2.gz MHWLIFREYFOVNU-NHYWBVRUSA-N 2 0 245.370 1.601 20 0 BDADRP [NH3+]C1CCN(c2cccc(N3CC=CC3)[nH+]2)CC1 ZINC001163918766 965628920 /nfs/dbraw/zinc/62/89/20/965628920.db2.gz PSGJKABUZKNSGB-UHFFFAOYSA-N 2 0 244.342 1.385 20 0 BDADRP C[C@]1(C[NH3+])CCCN(c2cccc(N)[nH+]2)CC1 ZINC001164242706 965808981 /nfs/dbraw/zinc/80/89/81/965808981.db2.gz OSNDBVQCKDSAAE-ZDUSSCGKSA-N 2 0 234.347 1.619 20 0 BDADRP Cc1c[nH+]c(N2CCC[C@@](C)(C[NH3+])CC2)cc1N ZINC001164249152 965810153 /nfs/dbraw/zinc/81/01/53/965810153.db2.gz VNKCQOWTTSWSNR-CQSZACIVSA-N 2 0 248.374 1.928 20 0 BDADRP C[NH+](C)C1CCC([NH2+]C[C@H]2CC[C@H](O)C2)CC1 ZINC000715184948 965815755 /nfs/dbraw/zinc/81/57/55/965815755.db2.gz IZMGWCBANWPZPA-ABXWRUBCSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCO1 ZINC000699211100 965815967 /nfs/dbraw/zinc/81/59/67/965815967.db2.gz POBBDEFGVAFFFF-RLAWYHOSSA-N 2 0 238.375 1.628 20 0 BDADRP [NH3+][C@@H]1CCC[N@H+](Cc2cc3cccnc3[nH]2)CC1 ZINC001205109717 965830356 /nfs/dbraw/zinc/83/03/56/965830356.db2.gz JZBVGIHITPECJI-GFCCVEGCSA-N 2 0 244.342 1.876 20 0 BDADRP [NH3+][C@@H]1CCN(c2cccc3c2CC[C@@H]3[NH3+])C1 ZINC001164286946 965830754 /nfs/dbraw/zinc/83/07/54/965830754.db2.gz ZQYSOAPEWUQJGG-SKDRFNHKSA-N 2 0 217.316 1.170 20 0 BDADRP [NH3+]CCONc1ccc(C2([NH3+])CCC2)cc1 ZINC001164429181 965879549 /nfs/dbraw/zinc/87/95/49/965879549.db2.gz LEKGOCFKLNABER-UHFFFAOYSA-N 2 0 221.304 1.327 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2COC[C@H]2CC)C1 ZINC000699485284 965909782 /nfs/dbraw/zinc/90/97/82/965909782.db2.gz OEBKMRWOZVLXID-MGPQQGTHSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H]1C[N@H+](CC2(C)CC[NH+](C)CC2)C[C@H]1C[NH3+] ZINC001205131207 965937856 /nfs/dbraw/zinc/93/78/56/965937856.db2.gz UHWHGTVBOBAEMX-QWHCGFSZSA-N 3 0 239.407 1.245 20 0 BDADRP CC[C@@H]1COC[C@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000699543808 965959796 /nfs/dbraw/zinc/95/97/96/965959796.db2.gz PCZAMBFSPJZTOE-CHWSQXEVSA-N 2 0 240.391 1.733 20 0 BDADRP CC[C@@H]1COC[C@@H]1[NH2+]CCC[N@H+](C)C(C)C ZINC000699552771 965967589 /nfs/dbraw/zinc/96/75/89/965967589.db2.gz LLGIZANELJUNEW-OLZOCXBDSA-N 2 0 228.380 1.731 20 0 BDADRP CC[C@H]1COC[C@H]1[NH2+]CCC[N@H+](C)C(C)C ZINC000699552772 965969185 /nfs/dbraw/zinc/96/91/85/965969185.db2.gz LLGIZANELJUNEW-QWHCGFSZSA-N 2 0 228.380 1.731 20 0 BDADRP CN(C[C@H]1CC[NH2+]C1)c1cc(C[NH+](C)C)ccn1 ZINC001165125920 965970670 /nfs/dbraw/zinc/97/06/70/965970670.db2.gz SNJPOKSHEKQNOJ-ZDUSSCGKSA-N 2 0 248.374 1.189 20 0 BDADRP C[NH+](C)C1CCC([NH2+]C[C@]2(C)CCOC2)CC1 ZINC000715223479 965973237 /nfs/dbraw/zinc/97/32/37/965973237.db2.gz KXYBCMQYKDJTAZ-RUXDESIVSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]1C[N@@H+](C2CCC([NH+](C)C)CC2)C[C@H]1C[NH3+] ZINC000715228921 965982167 /nfs/dbraw/zinc/98/21/67/965982167.db2.gz PABXELCQXMYIFU-MRFVTOPCSA-N 3 0 239.407 1.386 20 0 BDADRP C/C=C(\NC=[NH2+])NCC[C@@H]1CCC[N@H+](C)C1 ZINC001165263121 966012790 /nfs/dbraw/zinc/01/27/90/966012790.db2.gz ZSJIYPHZJDDNFH-AAJBVFMISA-N 2 0 224.352 1.366 20 0 BDADRP C[N@@H+]1CCC[C@@H](CCNc2cccc(C[NH3+])n2)C1 ZINC001165289419 966028343 /nfs/dbraw/zinc/02/83/43/966028343.db2.gz AORQILARDVDETL-LBPRGKRZSA-N 2 0 248.374 1.684 20 0 BDADRP C[N@@H+]1CCC[C@H](CCNc2cccc(C[NH3+])n2)C1 ZINC001165289418 966031501 /nfs/dbraw/zinc/03/15/01/966031501.db2.gz AORQILARDVDETL-GFCCVEGCSA-N 2 0 248.374 1.684 20 0 BDADRP c1cc2c(cc[nH+]c2N2CCC[C@@H]3[NH2+]C[C@H]32)[nH]1 ZINC001165388730 966085766 /nfs/dbraw/zinc/08/57/66/966085766.db2.gz ZOCZRKZEZNHIFK-NWDGAFQWSA-N 2 0 228.299 1.504 20 0 BDADRP Cc1cc2[nH]ccc2c(N2CCC[C@H]3[NH2+]C[C@@H]32)[nH+]1 ZINC001165390230 966087054 /nfs/dbraw/zinc/08/70/54/966087054.db2.gz DDZRSYLHYIGKGJ-YPMHNXCESA-N 2 0 242.326 1.812 20 0 BDADRP Nc1cccc(N2CCC(C3C[NH2+]C3)CC2)[nH+]1 ZINC001165411343 966097285 /nfs/dbraw/zinc/09/72/85/966097285.db2.gz SXEPXADQNVQCKG-UHFFFAOYSA-N 2 0 232.331 1.100 20 0 BDADRP [NH3+][C@@]12CC[C@@H]1CN(Cc1cccc3nonc31)C2 ZINC001235980555 966196982 /nfs/dbraw/zinc/19/69/82/966196982.db2.gz QBPJNNPRIWDWMB-ZWNOBZJWSA-N 2 0 244.298 1.146 20 0 BDADRP CC1(C[NH3+])C[NH+](C[C@@H]2CCOC(C)(C)C2)C1 ZINC001206711931 966260049 /nfs/dbraw/zinc/26/00/49/966260049.db2.gz QQCYPGZHOJUVRN-LLVKDONJSA-N 2 0 226.364 1.472 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](C)N1C[C@@H]([NH3+])c1ccccc1 ZINC001236104158 966268890 /nfs/dbraw/zinc/26/88/90/966268890.db2.gz HTENCNMAFOMWFS-YRGRVCCFSA-N 2 0 233.359 1.369 20 0 BDADRP CC[NH2+]CCC[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001485750776 966634126 /nfs/dbraw/zinc/63/41/26/966634126.db2.gz ATQIFQDJSYFORA-LBPRGKRZSA-N 2 0 243.395 1.221 20 0 BDADRP [NH3+]CCCCC[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237380764 966655584 /nfs/dbraw/zinc/65/55/84/966655584.db2.gz HKRUKVNEITXBOX-OLZOCXBDSA-N 3 0 225.380 1.189 20 0 BDADRP CS[C@H](C)CC[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205210624 966847234 /nfs/dbraw/zinc/84/72/34/966847234.db2.gz QDXIWKMPWPWURP-VXGBXAGGSA-N 2 0 246.420 1.304 20 0 BDADRP C[NH+]1CCC2(C[NH+](Cc3ccc(O)cc3)C2)CC1 ZINC001204097461 966895362 /nfs/dbraw/zinc/89/53/62/966895362.db2.gz YRCKABMFWDNNLL-UHFFFAOYSA-N 2 0 246.354 1.920 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@@H]2C[C@H](O)C2(C)C)CC1 ZINC000715490061 966919196 /nfs/dbraw/zinc/91/91/96/966919196.db2.gz ITZHLYUAONPCDL-TUUUFIMRSA-N 2 0 240.391 1.608 20 0 BDADRP CCC1(Nc2cc[nH+]c3c2ccn3C)C[NH2+]C1 ZINC001168582357 966923873 /nfs/dbraw/zinc/92/38/73/966923873.db2.gz OVXRATKSZMQRFX-UHFFFAOYSA-N 2 0 230.315 1.737 20 0 BDADRP C[NH+]1CCC(C)(CN2CC[C@](C)([NH3+])C2)CC1 ZINC001204763932 967150260 /nfs/dbraw/zinc/15/02/60/967150260.db2.gz TZDPZFWYUHCMCF-ZDUSSCGKSA-N 2 0 225.380 1.141 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC[NH2+]1 ZINC000715560171 967160562 /nfs/dbraw/zinc/16/05/62/967160562.db2.gz YWSVDNOYVKXQOZ-XJFOESAGSA-N 2 0 239.407 1.589 20 0 BDADRP CCOC(=O)CC[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715584735 967192218 /nfs/dbraw/zinc/19/22/18/967192218.db2.gz QUBLHMICEWHVHR-UHFFFAOYSA-N 2 0 242.363 1.402 20 0 BDADRP [NH3+][C@H]1CCCN(CCC[NH2+]C2CCCCC2)C1 ZINC001204877401 967211347 /nfs/dbraw/zinc/21/13/47/967211347.db2.gz ILXHDEVERHRVMA-ZDUSSCGKSA-N 2 0 239.407 1.722 20 0 BDADRP [NH3+][C@H]1CCCN(C[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC001204877404 967212695 /nfs/dbraw/zinc/21/26/95/967212695.db2.gz IMCQZWHNZWZINB-GJZGRUSLSA-N 2 0 245.370 1.124 20 0 BDADRP CNc1ncccc1C[NH+]1CCC(C[NH3+])CC1 ZINC001205033372 967220357 /nfs/dbraw/zinc/22/03/57/967220357.db2.gz CZKJADBBJAIEPV-UHFFFAOYSA-N 2 0 234.347 1.294 20 0 BDADRP [NH3+]Cc1cccc(CN2CCCC[C@@H]2C[NH3+])c1 ZINC001204932834 967241287 /nfs/dbraw/zinc/24/12/87/967241287.db2.gz NIOQJHNTILGHCC-CQSZACIVSA-N 2 0 233.359 1.459 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCC[C@](C)(O)CC2)CC1 ZINC000691348066 967253959 /nfs/dbraw/zinc/25/39/59/967253959.db2.gz BPBPMUXSKIXZIL-AWEZNQCLSA-N 2 0 240.391 1.565 20 0 BDADRP C[C@H](O)[C@@H]1CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000691351646 967262413 /nfs/dbraw/zinc/26/24/13/967262413.db2.gz UFUALMYCABXRBB-WCQYABFASA-N 2 0 226.364 1.031 20 0 BDADRP C[C@H](O)C1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC000691352456 967262525 /nfs/dbraw/zinc/26/25/25/967262525.db2.gz YZTGUHVFFZDESU-LBPRGKRZSA-N 2 0 240.391 1.421 20 0 BDADRP CCc1cc(C[NH+]2CCC(C[NH3+])CC2)on1 ZINC001205026184 967295189 /nfs/dbraw/zinc/29/51/89/967295189.db2.gz MPIUDCQVWBELJE-UHFFFAOYSA-N 2 0 223.320 1.408 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2ccc3ncoc3c2)CC1 ZINC001205046634 967301140 /nfs/dbraw/zinc/30/11/40/967301140.db2.gz GLPWDIRBHANPNW-UHFFFAOYSA-N 2 0 245.326 1.999 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2ccn3ccnc3c2)CC1 ZINC001205041440 967301643 /nfs/dbraw/zinc/30/16/43/967301643.db2.gz VBTNBHLRQAZMNB-UHFFFAOYSA-N 2 0 244.342 1.505 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2cc3ncccc3[nH]2)CC1 ZINC001205046746 967303861 /nfs/dbraw/zinc/30/38/61/967303861.db2.gz LTHVIAPYOOOSMT-UHFFFAOYSA-N 2 0 244.342 1.734 20 0 BDADRP C[C@H]1CC[C@@H](C[NH3+])N1Cc1cc2cc[nH]c2cn1 ZINC001205075220 967327841 /nfs/dbraw/zinc/32/78/41/967327841.db2.gz GAPBAIDFIYQHTH-GWCFXTLKSA-N 2 0 244.342 1.875 20 0 BDADRP [NH3+][C@@H]1CCC[N@H+](Cc2ccn3nccc3c2)CC1 ZINC001205124592 967372242 /nfs/dbraw/zinc/37/22/42/967372242.db2.gz WCRVNLJEURQKPW-CYBMUJFWSA-N 2 0 244.342 1.648 20 0 BDADRP Cc1c(O)cccc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205146389 967387233 /nfs/dbraw/zinc/38/72/33/967387233.db2.gz TZUNSHJGMWIZHM-GXFFZTMASA-N 2 0 234.343 1.727 20 0 BDADRP C[C@H]1C[N@H+](Cc2cccc3nccn32)C[C@H]1C[NH3+] ZINC001205151326 967395084 /nfs/dbraw/zinc/39/50/84/967395084.db2.gz RYNYQZFQFUQVJU-NWDGAFQWSA-N 2 0 244.342 1.361 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCN1Cc1cccc(C[NH3+])c1 ZINC001205197647 967421681 /nfs/dbraw/zinc/42/16/81/967421681.db2.gz XKQRMHQSEMPOTC-ZWNOBZJWSA-N 2 0 219.332 1.067 20 0 BDADRP Cc1cc(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)ccn1 ZINC001205220617 967430370 /nfs/dbraw/zinc/43/03/70/967430370.db2.gz LSPGXGBNZZQVJJ-AWEZNQCLSA-N 2 0 249.358 1.066 20 0 BDADRP C[C@]1([NH3+])CCC[N@H+](Cc2cccnc2)CC1 ZINC001205264312 967456993 /nfs/dbraw/zinc/45/69/93/967456993.db2.gz JWXNUVOFDKLKGY-ZDUSSCGKSA-N 2 0 219.332 1.785 20 0 BDADRP C[C@]1([NH3+])CCC[N@H+](Cc2c[nH]ccc2=O)CC1 ZINC001205288849 967479259 /nfs/dbraw/zinc/47/92/59/967479259.db2.gz PBAFSEQDEPVBGR-ZDUSSCGKSA-N 2 0 235.331 1.078 20 0 BDADRP COc1ccc(C[NH+]2CCC(C[NH3+])CC2)c(C)n1 ZINC001205046265 967591413 /nfs/dbraw/zinc/59/14/13/967591413.db2.gz AELZFQBLTPNXIA-UHFFFAOYSA-N 2 0 249.358 1.569 20 0 BDADRP [NH3+]C[C@]1(F)CCC[N@H+](C[C@H]2CCOC2)CC1 ZINC001205539385 967657879 /nfs/dbraw/zinc/65/78/79/967657879.db2.gz YDSGHVIJZFFGDR-NEPJUHHUSA-N 2 0 230.327 1.176 20 0 BDADRP [NH3+]C[C@@]1(F)CCC[N@H+](C[C@H]2CCCOC2)CC1 ZINC001205538818 967683982 /nfs/dbraw/zinc/68/39/82/967683982.db2.gz PTTXDKRDKDZWKD-CHWSQXEVSA-N 2 0 244.354 1.566 20 0 BDADRP COCCC[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205545447 967687370 /nfs/dbraw/zinc/68/73/70/967687370.db2.gz HKFSPZGUKJONHS-LLVKDONJSA-N 2 0 218.316 1.176 20 0 BDADRP C[C@@H]1CCN(C[C@H]2CCC[NH2+]2)CC[C@@H]1C[NH3+] ZINC001205600534 967717270 /nfs/dbraw/zinc/71/72/70/967717270.db2.gz CEYHUCJSYWHSCM-JHJVBQTASA-N 2 0 225.380 1.045 20 0 BDADRP C[C@@H]1CC[N@H+](CCCC[NH3+])CC[C@H]1C[NH3+] ZINC001205603629 967717485 /nfs/dbraw/zinc/71/74/85/967717485.db2.gz RIKVDRRUICXEPC-NEPJUHHUSA-N 3 0 213.369 1.032 20 0 BDADRP C[C@@H]1CC[N@H+](CC2(C)COC2)CC[C@H]1C[NH3+] ZINC001205603107 967717888 /nfs/dbraw/zinc/71/78/88/967717888.db2.gz NRVBGIMSTOSIGD-NEPJUHHUSA-N 2 0 226.364 1.330 20 0 BDADRP Cc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)[nH]n1 ZINC001205603030 967720398 /nfs/dbraw/zinc/72/03/98/967720398.db2.gz NAUANJDNHJGTHH-CMPLNLGQSA-N 2 0 236.363 1.525 20 0 BDADRP COCCCC[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205603118 967721272 /nfs/dbraw/zinc/72/12/72/967721272.db2.gz NUCVDPIXFQWBHK-STQMWFEESA-N 2 0 228.380 1.720 20 0 BDADRP C[C@H]1CC[N@H+](Cc2ccncn2)CC[C@@H]1C[NH3+] ZINC001205627494 967735964 /nfs/dbraw/zinc/73/59/64/967735964.db2.gz QCUODUKSGPGXCS-NWDGAFQWSA-N 2 0 234.347 1.283 20 0 BDADRP Cc1cnc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)nc1 ZINC001205654549 967740477 /nfs/dbraw/zinc/74/04/77/967740477.db2.gz XEDIUVCVCSHLFN-STQMWFEESA-N 2 0 248.374 1.592 20 0 BDADRP Cc1cccnc1C[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205671853 967765612 /nfs/dbraw/zinc/76/56/12/967765612.db2.gz FIQZYOMOURRCHJ-CQSZACIVSA-N 2 0 249.358 1.066 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+](Cc1cnoc1)CC2 ZINC001205724146 967802593 /nfs/dbraw/zinc/80/25/93/967802593.db2.gz GQOMWYPRGCKZFZ-UHFFFAOYSA-N 2 0 221.304 1.202 20 0 BDADRP CO[C@@]1(C)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000694337047 967802591 /nfs/dbraw/zinc/80/25/91/967802591.db2.gz YDUHQBKHHHNQGQ-LLUNPGSJSA-N 2 0 224.348 1.379 20 0 BDADRP Cc1cccnc1C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001205807423 967829014 /nfs/dbraw/zinc/82/90/14/967829014.db2.gz JJHIZHUQVVBZTI-UHFFFAOYSA-N 2 0 245.370 1.918 20 0 BDADRP C[C@H]1CC[C@H](C[NH3+])N(Cc2cc[nH]c2)C1 ZINC001205827982 967842372 /nfs/dbraw/zinc/84/23/72/967842372.db2.gz IXGVUSVWBQLMFQ-CMPLNLGQSA-N 2 0 207.321 1.574 20 0 BDADRP F[C@@H]1C[NH2+][C@H](CNc2ccc3c(c2)C[NH2+]C3)C1 ZINC001162477084 967843859 /nfs/dbraw/zinc/84/38/59/967843859.db2.gz DHRDCDFGNSQWMF-AAEUAGOBSA-N 2 0 235.306 1.402 20 0 BDADRP Cc1ccc(C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1 ZINC001205945735 967897993 /nfs/dbraw/zinc/89/79/93/967897993.db2.gz DCCJZSGOJUTVRG-ZIAGYGMSSA-N 2 0 234.343 1.197 20 0 BDADRP C[C@@H]1CCC[N@H+](Cc2cc[nH]n2)[C@@H]1CCC[NH3+] ZINC000694630218 967906611 /nfs/dbraw/zinc/90/66/11/967906611.db2.gz PWLXDQYZTCATIF-DGCLKSJQSA-N 2 0 236.363 1.749 20 0 BDADRP C[C@H]1C[N@H+](Cc2cn[nH]c2)CCC[C@@H]1C[NH3+] ZINC001205981821 967926832 /nfs/dbraw/zinc/92/68/32/967926832.db2.gz HPPWMDDSTCGRHO-CMPLNLGQSA-N 2 0 222.336 1.217 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ncccc2[O-])CCC[C@@H]1C[NH3+] ZINC001205992596 967942330 /nfs/dbraw/zinc/94/23/30/967942330.db2.gz FPFBQOLPXOQBMA-VXGBXAGGSA-N 2 0 249.358 1.594 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccn(C)n2)CCC[C@@H]1C[NH3+] ZINC001205996160 967950173 /nfs/dbraw/zinc/95/01/73/967950173.db2.gz VOHAPINWGRKFRN-NWDGAFQWSA-N 2 0 236.363 1.227 20 0 BDADRP C[C@H]1C[N@H+](Cc2cccnc2)CCC[C@H]1C[NH3+] ZINC001205994136 967951251 /nfs/dbraw/zinc/95/12/51/967951251.db2.gz JRPPOTYOJCCHRQ-JSGCOSHPSA-N 2 0 233.359 1.888 20 0 BDADRP c1csc([C@H]2CC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)n1 ZINC000710446794 967953698 /nfs/dbraw/zinc/95/36/98/967953698.db2.gz YPSPHOSESLFLFC-MNOVXSKESA-N 2 0 237.372 1.542 20 0 BDADRP C[C@H]1C[N@H+](Cc2cocn2)CCC[C@H]1C[NH3+] ZINC001206004469 967960693 /nfs/dbraw/zinc/96/06/93/967960693.db2.gz SMXZPYVCLIJXRK-QWRGUYRKSA-N 2 0 223.320 1.481 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cocn2)CCC[C@H]1C[NH3+] ZINC001206004467 967961626 /nfs/dbraw/zinc/96/16/26/967961626.db2.gz SMXZPYVCLIJXRK-MNOVXSKESA-N 2 0 223.320 1.481 20 0 BDADRP Cc1ncc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)o1 ZINC001206028230 967978887 /nfs/dbraw/zinc/97/88/87/967978887.db2.gz XVFBDQRXUSTIEO-PWSUYJOCSA-N 2 0 237.347 1.790 20 0 BDADRP Cc1nonc1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206036751 967994455 /nfs/dbraw/zinc/99/44/55/967994455.db2.gz PJWDXRFZGSWRIX-GXSJLCMTSA-N 2 0 238.335 1.185 20 0 BDADRP Cc1nonc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206036752 967996921 /nfs/dbraw/zinc/99/69/21/967996921.db2.gz PJWDXRFZGSWRIX-KOLCDFICSA-N 2 0 238.335 1.185 20 0 BDADRP C[C@@H]1CN(Cc2ccc3c(c2)CC[NH2+]C3)C[C@H]1[NH3+] ZINC001206058855 968029781 /nfs/dbraw/zinc/02/97/81/968029781.db2.gz SSNZUGCSSUAAST-IAQYHMDHSA-N 2 0 245.370 1.111 20 0 BDADRP CSCC[C@H](C)[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693563784 968080612 /nfs/dbraw/zinc/08/06/12/968080612.db2.gz WXKHRQWHSIEKSO-GARJFASQSA-N 2 0 216.394 1.797 20 0 BDADRP CC(C)N(C)c1cccc(N2CCC([NH3+])CC2)[nH+]1 ZINC001163621649 968083977 /nfs/dbraw/zinc/08/39/77/968083977.db2.gz KMGXFACUIDYQOF-UHFFFAOYSA-N 2 0 248.374 1.854 20 0 BDADRP [NH3+][C@@H]1CCN(Cc2cccnc2)CC[C@@H]1F ZINC001206167071 968100546 /nfs/dbraw/zinc/10/05/46/968100546.db2.gz WUULHLMQCZHEBI-NWDGAFQWSA-N 2 0 223.295 1.343 20 0 BDADRP C[C@H]1C[NH2+]CCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001206257282 968175728 /nfs/dbraw/zinc/17/57/28/968175728.db2.gz AFAZDCHLGAENHZ-QWHCGFSZSA-N 2 0 225.380 1.060 20 0 BDADRP C[NH+](C)CCOC1CC[NH+](C2CC2)CC1 ZINC001206277865 968189975 /nfs/dbraw/zinc/18/99/75/968189975.db2.gz HWGFBQUZEYBXAB-UHFFFAOYSA-N 2 0 212.337 1.191 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2ncccc2N)CC1 ZINC001206305461 968216074 /nfs/dbraw/zinc/21/60/74/968216074.db2.gz ZUNZZIORBJQIIE-AWEZNQCLSA-N 2 0 248.374 1.615 20 0 BDADRP NC[C@@]1(F)CCCC[N@H+](CC2CC2)C1 ZINC001206334978 968240398 /nfs/dbraw/zinc/24/03/98/968240398.db2.gz BQJYRLRPNFBNLG-NSHDSACASA-N 2 0 200.301 1.549 20 0 BDADRP NC[C@]1(F)CCCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC001206336050 968241411 /nfs/dbraw/zinc/24/14/11/968241411.db2.gz JVBZHXPLODLCOA-CYBMUJFWSA-N 2 0 243.370 1.139 20 0 BDADRP [NH3+]C[C@@]1(F)CCCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC001206337914 968245607 /nfs/dbraw/zinc/24/56/07/968245607.db2.gz WUNNTGWEKHYBAW-STQMWFEESA-N 2 0 243.370 1.139 20 0 BDADRP CCOC(C)(C)C[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206336715 968247309 /nfs/dbraw/zinc/24/73/09/968247309.db2.gz NQYOOPWMTFKSDM-CYBMUJFWSA-N 2 0 246.370 1.954 20 0 BDADRP CC1(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CCCCC1 ZINC001206464683 968326579 /nfs/dbraw/zinc/32/65/79/968326579.db2.gz RZLSBVLYGNHZMW-NWDGAFQWSA-N 2 0 226.364 1.208 20 0 BDADRP [NH3+]C[C@H]1C[N@H+](CCCCc2ccccc2)C[C@@H]1O ZINC001206506719 968345298 /nfs/dbraw/zinc/34/52/98/968345298.db2.gz MVTLNHUHZMHOOA-GJZGRUSLSA-N 2 0 248.370 1.261 20 0 BDADRP C[C@]1(C[NH3+])CCCC[N@H+](CCCCCC[NH3+])C1 ZINC001206541774 968366411 /nfs/dbraw/zinc/36/64/11/968366411.db2.gz JZDDHPXCYCTIHT-CQSZACIVSA-N 3 0 241.423 1.956 20 0 BDADRP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cccc(=O)[nH]2)C1 ZINC001206547618 968372598 /nfs/dbraw/zinc/37/25/98/968372598.db2.gz DOEBKGUQXYWFSX-AWEZNQCLSA-N 2 0 249.358 1.738 20 0 BDADRP Cc1n[nH]cc1C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206548139 968372887 /nfs/dbraw/zinc/37/28/87/968372887.db2.gz HMDOFKSJXPEJLT-CYBMUJFWSA-N 2 0 236.363 1.669 20 0 BDADRP CC1(C[N@@H+]2CCCC[C@H](C[NH3+])C2)CC[NH2+]CC1 ZINC001206606211 968417069 /nfs/dbraw/zinc/41/70/69/968417069.db2.gz HEWSYFWAEVJJOI-CYBMUJFWSA-N 2 0 239.407 1.437 20 0 BDADRP Cc1ccc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c(N)n1 ZINC001206624623 968423205 /nfs/dbraw/zinc/42/32/05/968423205.db2.gz XOGHQZNGZFWYRZ-GFCCVEGCSA-N 2 0 248.374 1.533 20 0 BDADRP Nc1cnccc1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206624892 968424945 /nfs/dbraw/zinc/42/49/45/968424945.db2.gz ZRBUDYLYBDCNTP-LLVKDONJSA-N 2 0 234.347 1.225 20 0 BDADRP C[N@@H+]1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC001206701330 968438420 /nfs/dbraw/zinc/43/84/20/968438420.db2.gz VYPYRNMAAIRJIW-GFCCVEGCSA-N 2 0 212.337 1.193 20 0 BDADRP CCCC[N@H+](C)CCC[NH2+]C[C@@H](O)COCC ZINC001252042547 968456557 /nfs/dbraw/zinc/45/65/57/968456557.db2.gz KRGOWUQRGODALG-CYBMUJFWSA-N 2 0 246.395 1.095 20 0 BDADRP Cc1ccnc(C[NH+]2CCC3(C[NH+](C)C3)CC2)c1 ZINC001206854040 968498767 /nfs/dbraw/zinc/49/87/67/968498767.db2.gz MHHCKZFDTCXNLX-UHFFFAOYSA-N 2 0 245.370 1.918 20 0 BDADRP CCCC[C@H](O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC001252090517 968512038 /nfs/dbraw/zinc/51/20/38/968512038.db2.gz LHJCSGGTTIEHDY-AWEZNQCLSA-N 2 0 242.407 1.955 20 0 BDADRP CCCC[C@@H](O)C[NH2+]CCc1[nH]cnc1C ZINC001252107915 968589123 /nfs/dbraw/zinc/58/91/23/968589123.db2.gz KANVBGAHZIOCLQ-LLVKDONJSA-N 2 0 225.336 1.401 20 0 BDADRP CCCC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001252118734 968603391 /nfs/dbraw/zinc/60/33/91/968603391.db2.gz JZJJMEJXDCZPQB-MCIONIFRSA-N 2 0 242.407 2.000 20 0 BDADRP CO[C@H]1CC[N@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207280355 968713273 /nfs/dbraw/zinc/71/32/73/968713273.db2.gz WDLKJNYSFGTPDE-NSHDSACASA-N 2 0 214.353 1.295 20 0 BDADRP C[C@@H]1CC[N@H+](CC2CC[NH+](C)CC2)CC[C@H]1O ZINC001207391665 968747205 /nfs/dbraw/zinc/74/72/05/968747205.db2.gz KSJUXIYTDPPDQY-TZMCWYRMSA-N 2 0 240.391 1.421 20 0 BDADRP C[NH+]1CCC(CN2CC[NH+]3CCC2CC3)CC1 ZINC001207399089 968753376 /nfs/dbraw/zinc/75/33/76/968753376.db2.gz ZDYVQZOGFSHHAH-UHFFFAOYSA-N 2 0 237.391 1.108 20 0 BDADRP Cc1ncc2n1CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001207435780 968769394 /nfs/dbraw/zinc/76/93/94/968769394.db2.gz MRMPVGRTYCKNEE-UHFFFAOYSA-N 2 0 234.347 1.007 20 0 BDADRP C[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C[C@]1(C)O ZINC001207437006 968769522 /nfs/dbraw/zinc/76/95/22/968769522.db2.gz ZITFFVUNFGVKBD-YPMHNXCESA-N 2 0 226.364 1.079 20 0 BDADRP Oc1ccc2c(c1)CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001207435210 968771258 /nfs/dbraw/zinc/77/12/58/968771258.db2.gz AJIXGYYXQWDCCQ-UHFFFAOYSA-N 2 0 246.354 1.750 20 0 BDADRP C[C@H]1C[N@H+](CC2CC[NH2+]CC2)CC[C@]1(C)O ZINC001207436505 968771303 /nfs/dbraw/zinc/77/13/03/968771303.db2.gz KULRJBCZPLIRCD-AAEUAGOBSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@]1(CO)CCC[N@H+](CC2CC[NH2+]CC2)CC1 ZINC001207436475 968771336 /nfs/dbraw/zinc/77/13/36/968771336.db2.gz JCPDDYOMVHNPRM-CQSZACIVSA-N 2 0 240.391 1.471 20 0 BDADRP c1cnc([C@@H]2CCC[N@H+]2CC2CC[NH2+]CC2)nc1 ZINC001207443240 968776364 /nfs/dbraw/zinc/77/63/64/968776364.db2.gz OQGIBBNYCIPLJH-ZDUSSCGKSA-N 2 0 246.358 1.613 20 0 BDADRP CN1CCC[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@H]21 ZINC001207470372 968786091 /nfs/dbraw/zinc/78/60/91/968786091.db2.gz QSVWENUIHJXAFM-BFHYXJOUSA-N 2 0 238.375 1.439 20 0 BDADRP [NH3+]CCc1ccccc1C=C1CC[NH2+]CC1 ZINC001240878947 968790384 /nfs/dbraw/zinc/79/03/84/968790384.db2.gz WIOREUXBGHMMOB-UHFFFAOYSA-N 2 0 216.328 1.955 20 0 BDADRP CO[C@@H]1CCC[N@H+](CCC2CC[NH+](C)CC2)C1 ZINC001207479731 968791984 /nfs/dbraw/zinc/79/19/84/968791984.db2.gz MCXRXWYINKOFIZ-CQSZACIVSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@@H]1C[C@H](O)C[N@@H+]1CCC1CC[NH+](C)CC1 ZINC001207479979 968794811 /nfs/dbraw/zinc/79/48/11/968794811.db2.gz RCCSRXIOIZUWIQ-YPMHNXCESA-N 2 0 226.364 1.173 20 0 BDADRP CC(C)[N@H+](CCCO)CCC1CC[NH+](C)CC1 ZINC001207484499 968797971 /nfs/dbraw/zinc/79/79/71/968797971.db2.gz NDUJCWUKRZSDMW-UHFFFAOYSA-N 2 0 242.407 1.811 20 0 BDADRP CCC[C@H](O)C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC001252804234 968987165 /nfs/dbraw/zinc/98/71/65/968987165.db2.gz ICDYLAGZOWQVBR-AWEZNQCLSA-N 2 0 240.391 1.754 20 0 BDADRP CCC[C@@H](O)C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC001252804235 968989023 /nfs/dbraw/zinc/98/90/23/968989023.db2.gz ICDYLAGZOWQVBR-CQSZACIVSA-N 2 0 240.391 1.754 20 0 BDADRP CCC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C(C)C)C[C@H]1C ZINC001252807999 968994680 /nfs/dbraw/zinc/99/46/80/968994680.db2.gz AVFVVQZLFSRJTQ-HZSPNIEDSA-N 2 0 242.407 1.856 20 0 BDADRP C[NH+]1CCC(C)(C[N@@H+]2C[C@@H]3C[C@@H]3C2)CC1 ZINC001208108093 969002249 /nfs/dbraw/zinc/00/22/49/969002249.db2.gz QESOABKUGNNJDB-TXEJJXNPSA-N 2 0 208.349 1.670 20 0 BDADRP C[C@@H]1C[C@H](O)CC[N@@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208113268 969006092 /nfs/dbraw/zinc/00/60/92/969006092.db2.gz FZDITONHESXWLT-CHWSQXEVSA-N 2 0 240.391 1.564 20 0 BDADRP C[N@@H+]1CCC=C(c2ccc(CC[NH3+])cc2)C1 ZINC001241570321 969061128 /nfs/dbraw/zinc/06/11/28/969061128.db2.gz HFTBMPNMRRMFER-UHFFFAOYSA-N 2 0 216.328 1.907 20 0 BDADRP CC[NH+](CC)C[C@@H](O)CN1CCC(C)(F)CC1 ZINC001253181874 969103743 /nfs/dbraw/zinc/10/37/43/969103743.db2.gz ZEXHUWCXHXXAPS-GFCCVEGCSA-N 2 0 246.370 1.513 20 0 BDADRP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H]1CC[C@@H](F)C1 ZINC001253202549 969108230 /nfs/dbraw/zinc/10/82/30/969108230.db2.gz KAZYSMWEIXXJSP-IJLUTSLNSA-N 2 0 232.343 1.169 20 0 BDADRP CCC[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC001324487951 969139775 /nfs/dbraw/zinc/13/97/75/969139775.db2.gz LVANWJAGQXHFEH-HZSPNIEDSA-N 2 0 242.407 1.810 20 0 BDADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C1CCCC1 ZINC001253383244 969146509 /nfs/dbraw/zinc/14/65/09/969146509.db2.gz CCYLIHPRQHMNRX-NSHDSACASA-N 2 0 214.353 1.268 20 0 BDADRP CC(C)[C@H](C)[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253384473 969148935 /nfs/dbraw/zinc/14/89/35/969148935.db2.gz VCDBRNLJFLTTHD-QWRGUYRKSA-N 2 0 216.369 1.370 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CCCOCC2)CC1 ZINC001208592802 969150084 /nfs/dbraw/zinc/15/00/84/969150084.db2.gz CIWMOGJWKVVGLQ-UHFFFAOYSA-N 2 0 226.364 1.441 20 0 BDADRP CSCCC[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253403309 969156193 /nfs/dbraw/zinc/15/61/93/969156193.db2.gz DLESLWABHBEEBN-JTQLQIEISA-N 2 0 234.409 1.078 20 0 BDADRP CN(C[C@@H]1CCC[N@H+](C)C1)C1CC[NH+](C)CC1 ZINC001208603312 969157361 /nfs/dbraw/zinc/15/73/61/969157361.db2.gz AXBFPFDSXFGWBM-CYBMUJFWSA-N 2 0 239.407 1.354 20 0 BDADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@@H]1CC1(C)C ZINC001253407719 969163400 /nfs/dbraw/zinc/16/34/00/969163400.db2.gz OLCAJWMQKARFFT-VHSXEESVSA-N 2 0 214.353 1.124 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H](O)C2)C1 ZINC001208607655 969166837 /nfs/dbraw/zinc/16/68/37/969166837.db2.gz MLWXGMJSNYTBFU-OLZOCXBDSA-N 2 0 226.364 1.175 20 0 BDADRP CO[C@H]1CCC[N@H+](C[C@H]2CCC[NH+](C)C2)CC1 ZINC001208613443 969168575 /nfs/dbraw/zinc/16/85/75/969168575.db2.gz UGJZPRXRUDXUAP-KBPBESRZSA-N 2 0 240.391 1.829 20 0 BDADRP C[N@H+](CCCC[NH3+])CC1CC(F)(F)C1 ZINC000383530377 969182787 /nfs/dbraw/zinc/18/27/87/969182787.db2.gz MNGPUISPFZOEGC-UHFFFAOYSA-N 2 0 206.280 1.702 20 0 BDADRP CCCCC[C@H](O)C[NH2+]CCCC[NH+](C)C ZINC001253520770 969197605 /nfs/dbraw/zinc/19/76/05/969197605.db2.gz XBZMCZLKYAUZQL-ZDUSSCGKSA-N 2 0 230.396 1.859 20 0 BDADRP C[C@H]1C[N@H+](Cc2cncnc2)CCC[C@@H]1C[NH3+] ZINC001205992024 969214901 /nfs/dbraw/zinc/21/49/01/969214901.db2.gz CXCUNVWQXSTTRW-WCQYABFASA-N 2 0 234.347 1.283 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccccn2)CCC[C@@H]1C[NH3+] ZINC001205993137 969223998 /nfs/dbraw/zinc/22/39/98/969223998.db2.gz HIFURAUWABYOMJ-CHWSQXEVSA-N 2 0 233.359 1.888 20 0 BDADRP Cc1c(N)cc[nH+]c1N(CC[NH3+])c1cccnc1 ZINC001168830177 969229499 /nfs/dbraw/zinc/22/94/99/969229499.db2.gz IZTFPFGCBSQSRR-UHFFFAOYSA-N 2 0 243.314 1.464 20 0 BDADRP [NH3+][C@H]1CCN(c2cc3[nH]ccc3c[nH+]2)C1 ZINC001156229394 969241562 /nfs/dbraw/zinc/24/15/62/969241562.db2.gz ZYTKYLAMFGFHFU-VIFPVBQESA-N 2 0 202.261 1.100 20 0 BDADRP C[C@H]([NH3+])c1ccc(-n2cc(CC[NH3+])cn2)cc1 ZINC001168948788 969289521 /nfs/dbraw/zinc/28/95/21/969289521.db2.gz BEEDXBBPWHPHTO-JTQLQIEISA-N 2 0 230.315 1.393 20 0 BDADRP [NH3+]CCc1cnn(-c2cccc3c2CC[C@H]3[NH3+])c1 ZINC001168952061 969292456 /nfs/dbraw/zinc/29/24/56/969292456.db2.gz CSLJJYOJEFUUTO-CYBMUJFWSA-N 2 0 242.326 1.320 20 0 BDADRP Cc1nc(CC[NH3+])nn1-c1cc[nH+]c(C2CC2)c1 ZINC001168989422 969344892 /nfs/dbraw/zinc/34/48/92/969344892.db2.gz MXLRCZWMHRJNCZ-UHFFFAOYSA-N 2 0 243.314 1.349 20 0 BDADRP CCC[C@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169098388 969388918 /nfs/dbraw/zinc/38/89/18/969388918.db2.gz HAVQRWIRMGXXNH-LPWJVIDDSA-N 2 0 226.364 1.362 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](n1cc(C[NH3+])cn1)C2 ZINC001169097515 969390456 /nfs/dbraw/zinc/39/04/56/969390456.db2.gz ATHMTQKGTAIEER-ZSBIGDGJSA-N 2 0 220.320 1.140 20 0 BDADRP Cc1cnc(C[NH3+])n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169098617 969390561 /nfs/dbraw/zinc/39/05/61/969390561.db2.gz JXJNFTWDVWMYBR-GDNZZTSVSA-N 2 0 234.347 1.448 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CC3(COC3)C1)C2 ZINC001169099447 969392627 /nfs/dbraw/zinc/39/26/27/969392627.db2.gz RQIYLTHDYKTEAJ-LMKPVCQUSA-N 2 0 236.359 1.380 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(O)CCCC1)C2 ZINC001169079188 969399800 /nfs/dbraw/zinc/39/98/00/969399800.db2.gz JNTNTCNNMLPQEQ-XYYAHUGASA-N 2 0 238.375 1.506 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)C2 ZINC001169080420 969403390 /nfs/dbraw/zinc/40/33/90/969403390.db2.gz NGGJODPQQHRGRN-NDKCEZKHSA-N 2 0 238.375 1.505 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)C2 ZINC001169080429 969404634 /nfs/dbraw/zinc/40/46/34/969404634.db2.gz NGSDBUOYFWRUQX-XGFWRYKXSA-N 2 0 238.375 1.505 20 0 BDADRP C[C@@H]1C[C@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169079816 969404643 /nfs/dbraw/zinc/40/46/43/969404643.db2.gz LRUYEFBXEIFNMJ-RXGFPQBGSA-N 2 0 208.349 1.857 20 0 BDADRP CC(C)[C@@H](O)C[NH2+]CCCCC[NH+]1CCCC1 ZINC001253783027 969405019 /nfs/dbraw/zinc/40/50/19/969405019.db2.gz UDEBSUSAQAYBLC-AWEZNQCLSA-N 2 0 242.407 1.859 20 0 BDADRP CCCC[C@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169091857 969407236 /nfs/dbraw/zinc/40/72/36/969407236.db2.gz WISAZADYZWVBHD-SYQHCUMBSA-N 2 0 240.391 1.752 20 0 BDADRP C[C@H]1COCC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169124208 969421213 /nfs/dbraw/zinc/42/12/13/969421213.db2.gz ASGGRXGJFFICMH-YIYPIFLZSA-N 2 0 238.375 1.580 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[NH+](C3CC3)CC1)C2 ZINC001169125607 969425852 /nfs/dbraw/zinc/42/58/52/969425852.db2.gz JSNJQUFESMVRAQ-FICVDOATSA-N 2 0 249.402 1.392 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H](O)C1)C2 ZINC001169125351 969427106 /nfs/dbraw/zinc/42/71/06/969427106.db2.gz ZQTKBZZXHCFVJQ-LOWDOPEQSA-N 2 0 224.348 1.068 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1C[C@@H]3COC[C@@H]3C1)C2 ZINC001169131639 969436237 /nfs/dbraw/zinc/43/62/37/969436237.db2.gz WTTPIXPCACRIGX-RVOPOGNISA-N 2 0 236.359 1.190 20 0 BDADRP CC[C@H](COC)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169109453 969448461 /nfs/dbraw/zinc/44/84/61/969448461.db2.gz IRKVWCZGBHLILB-FVCCEPFGSA-N 2 0 226.364 1.626 20 0 BDADRP CC[N@@H+]1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169114786 969456260 /nfs/dbraw/zinc/45/62/60/969456260.db2.gz YNCAJBMOCHARLB-SYQHCUMBSA-N 2 0 237.391 1.295 20 0 BDADRP C[NH+](C)C1(C)CN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169145944 969468067 /nfs/dbraw/zinc/46/80/67/969468067.db2.gz NMODRKZTFUQNSL-ITGUQSILSA-N 2 0 237.391 1.248 20 0 BDADRP C[n+]1cccc(-n2ncc3c2cccc3C[NH3+])c1 ZINC001169196092 969477244 /nfs/dbraw/zinc/47/72/44/969477244.db2.gz ZROHSCMZCXXYMI-UHFFFAOYSA-N 2 0 239.302 1.309 20 0 BDADRP CCC[NH+]1C[C@@H]2C[NH+](C[C@@H]3C[C@@H]3C)C[C@H]2C1 ZINC001209430012 969496663 /nfs/dbraw/zinc/49/66/63/969496663.db2.gz IYICIFHLGUBVEF-IGQOVBAYSA-N 2 0 222.376 1.916 20 0 BDADRP CC[NH+]1CCC(n2c(C)cnc2C[NH3+])CC1 ZINC001169230844 969501485 /nfs/dbraw/zinc/50/14/85/969501485.db2.gz MGKUCSDWRGIMNM-UHFFFAOYSA-N 2 0 222.336 1.307 20 0 BDADRP C[C@@H]([NH3+])c1ccn(-c2cccc(C[NH3+])c2)n1 ZINC001169231974 969508962 /nfs/dbraw/zinc/50/89/62/969508962.db2.gz XVFBELIXJCGBEQ-SECBINFHSA-N 2 0 216.288 1.351 20 0 BDADRP C[C@H]1C[C@@H](CO)[N@H+](CCC[NH+]2CCCCC2)C1 ZINC001209448436 969518239 /nfs/dbraw/zinc/51/82/39/969518239.db2.gz RUUXWBHOHUSPMH-KBPBESRZSA-N 2 0 240.391 1.565 20 0 BDADRP [NH2+]=C(NC1CCC(F)(F)CC1)SCC[NH3+] ZINC001254208495 969540476 /nfs/dbraw/zinc/54/04/76/969540476.db2.gz POPCSAAHVVATNF-UHFFFAOYSA-N 2 0 237.319 1.781 20 0 BDADRP Cc1n[nH]cc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001209557472 969542492 /nfs/dbraw/zinc/54/24/92/969542492.db2.gz VZLZILIWNBZYKM-UHFFFAOYSA-N 2 0 248.374 1.636 20 0 BDADRP C[N@@H+]1CCC[C@H]2CN(Cc3c[nH+]ccc3N)C[C@H]21 ZINC001209733022 969593445 /nfs/dbraw/zinc/59/34/45/969593445.db2.gz OYOWIZDCTCEUOQ-SMDDNHRTSA-N 2 0 246.358 1.020 20 0 BDADRP CC[N@@H+]1CCN(Cc2c[nH+]ccc2N)C(C)(C)C1 ZINC001209733487 969596081 /nfs/dbraw/zinc/59/60/81/969596081.db2.gz NKPKWJFUJJCBLS-UHFFFAOYSA-N 2 0 248.374 1.410 20 0 BDADRP C[NH+]1CCC2(C[NH+]([C@@H]3CCCOC3)C2)CC1 ZINC001254386395 969605121 /nfs/dbraw/zinc/60/51/21/969605121.db2.gz PZFDWXKKWDRXEO-GFCCVEGCSA-N 2 0 224.348 1.193 20 0 BDADRP [NH3+]CCN1CC[NH+](C2CCC3(CC3)CC2)CC1 ZINC001254433235 969618874 /nfs/dbraw/zinc/61/88/74/969618874.db2.gz HECQAYQOUXIDDE-UHFFFAOYSA-N 2 0 237.391 1.286 20 0 BDADRP C[N@H+](CCO)CCC[NH2+]C1CCC2(CC2)CC1 ZINC001254439149 969630132 /nfs/dbraw/zinc/63/01/32/969630132.db2.gz AVIJNBSIDJXHTB-UHFFFAOYSA-N 2 0 240.391 1.613 20 0 BDADRP Cc1nc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c[nH]1 ZINC001206011831 969637446 /nfs/dbraw/zinc/63/74/46/969637446.db2.gz GTFKVFVZHAJGTQ-PWSUYJOCSA-N 2 0 236.363 1.525 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+]CC2(F)CCOCC2)CC1 ZINC001254503365 969667059 /nfs/dbraw/zinc/66/70/59/969667059.db2.gz MTJFOBYNSGPGLM-GFCCVEGCSA-N 2 0 244.354 1.579 20 0 BDADRP C[C@@H](Cc1cnccn1)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001254504600 969670940 /nfs/dbraw/zinc/67/09/40/969670940.db2.gz VMRHBLYMRBPTJL-STQMWFEESA-N 2 0 248.374 1.482 20 0 BDADRP C[C@H]1COCC[N@@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254515674 969681181 /nfs/dbraw/zinc/68/11/81/969681181.db2.gz AQCCMOCDRRFTBB-CHWSQXEVSA-N 2 0 226.364 1.439 20 0 BDADRP CC(C)N([C@@H]1CCC[N@H+](C)CC1)C(C)(C)C[NH3+] ZINC001254514385 969687471 /nfs/dbraw/zinc/68/74/71/969687471.db2.gz KXMGDEKIZRDLSA-CYBMUJFWSA-N 2 0 241.423 1.918 20 0 BDADRP COC[C@@H]1CCCC[N@@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254515691 969691024 /nfs/dbraw/zinc/69/10/24/969691024.db2.gz AYJLHBLYEUEKEZ-KGLIPLIRSA-N 2 0 240.391 1.972 20 0 BDADRP COCC1CC[NH+]([C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254517955 969695952 /nfs/dbraw/zinc/69/59/52/969695952.db2.gz ZVQJNPFYQJPOJK-AWEZNQCLSA-N 2 0 240.391 1.829 20 0 BDADRP C[N@@H+]1CCC[C@H](N2CC[NH+]3CCC[C@@H]3C2)CC1 ZINC001254522959 969712562 /nfs/dbraw/zinc/71/25/62/969712562.db2.gz LCMUDPQXVCYXAJ-UONOGXRCSA-N 2 0 237.391 1.251 20 0 BDADRP CN1CC[C@H]2C[N@@H+]([C@H]3CCC[NH+](C)CC3)C[C@H]21 ZINC001254525456 969718470 /nfs/dbraw/zinc/71/84/70/969718470.db2.gz JCBBEUIDIFAHQA-MELADBBJSA-N 2 0 237.391 1.107 20 0 BDADRP C[C@@H]1CN([C@@H]2CCC[NH+](C)CC2)C[C@H](C)[N@H+]1C ZINC001254525718 969720083 /nfs/dbraw/zinc/72/00/83/969720083.db2.gz LJTGQHSZFMHDGS-HZSPNIEDSA-N 2 0 239.407 1.495 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1CN([C@@H]1CCC[NH+](C)CC1)C2 ZINC001254529860 969732090 /nfs/dbraw/zinc/73/20/90/969732090.db2.gz RTECDAVKWKXICE-MCIONIFRSA-N 2 0 237.391 1.249 20 0 BDADRP c1cc2c(c(NCC[C@H]3CCC[NH2+]3)c1)C[NH2+]CC2 ZINC001169566824 969764104 /nfs/dbraw/zinc/76/41/04/969764104.db2.gz GHWWSTOJTDSKSY-CYBMUJFWSA-N 2 0 245.370 1.886 20 0 BDADRP Cc1cnc(CC[NH3+])n1[C@H]1CC2CC[NH+](CC2)C1 ZINC001254837419 969799894 /nfs/dbraw/zinc/79/98/94/969799894.db2.gz UKZBNWIJFVLAEU-ZDUSSCGKSA-N 2 0 248.374 1.350 20 0 BDADRP C1CC1[NH+]1CCN([C@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254853328 969807954 /nfs/dbraw/zinc/80/79/54/969807954.db2.gz MZSIBEPCCJRMDG-HNNXBMFYSA-N 2 0 249.402 1.251 20 0 BDADRP C1C([NH+]2CCCC2)CN1[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254860897 969811344 /nfs/dbraw/zinc/81/13/44/969811344.db2.gz DDKJHMXRTXCIHC-CQSZACIVSA-N 2 0 249.402 1.251 20 0 BDADRP C1[C@H]2C[N@@H+]([C@@H]3CC4CCN(CC4)C3)C[C@@H]12 ZINC001254856944 969812148 /nfs/dbraw/zinc/81/21/48/969812148.db2.gz XYQFDTFIKZQAEU-FRRDWIJNSA-N 2 0 206.333 1.422 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+][C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)C1 ZINC001254937187 969827300 /nfs/dbraw/zinc/82/73/00/969827300.db2.gz ZNZJKGBEMFYDMU-FPYNETTCSA-N 2 0 236.359 1.604 20 0 BDADRP C[NH+](C)CCC(C)(C)Nc1cc[nH+]cc1 ZINC001169710934 969828820 /nfs/dbraw/zinc/82/88/20/969828820.db2.gz BHEIJDYWDCYQFH-UHFFFAOYSA-N 2 0 207.321 1.646 20 0 BDADRP [NH3+]Cc1ccn(-c2[nH+]ccc3c2CCN3)c1 ZINC001169717024 969831520 /nfs/dbraw/zinc/83/15/20/969831520.db2.gz UMXUQOXTVWOSRS-UHFFFAOYSA-N 2 0 214.272 1.299 20 0 BDADRP C([NH2+]C1CCOCC1)C12CC[NH+](CC1)CC2 ZINC001255033538 969857794 /nfs/dbraw/zinc/85/77/94/969857794.db2.gz KMMGFNUHINHTPS-UHFFFAOYSA-N 2 0 224.348 1.241 20 0 BDADRP CC[C@H]([NH3+])CN1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001210311691 969862306 /nfs/dbraw/zinc/86/23/06/969862306.db2.gz MVNRGOUEVVWQGN-GJZGRUSLSA-N 2 0 247.386 1.240 20 0 BDADRP C[NH+]1CCC2(CC[N@@H+](C3CCOCC3)C2)CC1 ZINC001255045226 969864323 /nfs/dbraw/zinc/86/43/23/969864323.db2.gz ZXVBQXFYCNWHBE-UHFFFAOYSA-N 2 0 238.375 1.583 20 0 BDADRP Cc1nc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)c[nH]1 ZINC001276682216 969866310 /nfs/dbraw/zinc/86/63/10/969866310.db2.gz GYTQVFXXABRDBA-UHFFFAOYSA-N 2 0 248.374 1.636 20 0 BDADRP [NH3+]CC1(N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001255106008 969938857 /nfs/dbraw/zinc/93/88/57/969938857.db2.gz JRTWNQCGWHEZGU-AWEZNQCLSA-N 2 0 245.370 1.342 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2c[nH]c3ncccc23)CC1 ZINC000091019437 970056617 /nfs/dbraw/zinc/05/66/17/970056617.db2.gz HUCOVYOSIXVRTF-UHFFFAOYSA-N 2 0 244.342 1.734 20 0 BDADRP Cc1cc2[nH+]ccn2cc1N(C)C(C)(C)C[NH3+] ZINC001170058743 970107657 /nfs/dbraw/zinc/10/76/57/970107657.db2.gz CZHTVZZMEOBLCL-UHFFFAOYSA-N 2 0 232.331 1.816 20 0 BDADRP CN1CC[C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)C1 ZINC001255412727 970131523 /nfs/dbraw/zinc/13/15/23/970131523.db2.gz UWOYQEBTQXKMEQ-OLZOCXBDSA-N 2 0 225.380 1.012 20 0 BDADRP C[N@@H+]1CC[C@H](n2c(C[NH3+])cc3ccccc32)C1 ZINC001255411039 970132334 /nfs/dbraw/zinc/13/23/34/970132334.db2.gz CBUWGAIMRCDNKZ-LBPRGKRZSA-N 2 0 229.327 1.977 20 0 BDADRP C[N@@H+]1CC[C@H](n2c(C[NH3+])cc3ccncc32)C1 ZINC001255422160 970145536 /nfs/dbraw/zinc/14/55/36/970145536.db2.gz VJIYQDAEVUDUPO-NSHDSACASA-N 2 0 230.315 1.372 20 0 BDADRP CC(C)N([C@@H]1CC[N@H+](C)C1)C(C)(C)C[NH3+] ZINC001255428490 970153109 /nfs/dbraw/zinc/15/31/09/970153109.db2.gz YOAYZPLWLHAFLO-LLVKDONJSA-N 2 0 213.369 1.138 20 0 BDADRP C[NH2+]Cc1ccc(N[C@@H]2CC[N@H+](C)C2)cc1 ZINC001255435041 970158177 /nfs/dbraw/zinc/15/81/77/970158177.db2.gz BEGSZSCKEJFZMU-CYBMUJFWSA-N 2 0 219.332 1.522 20 0 BDADRP CC(C)[C@H]1[NH2+]CCc2ncn([C@H]3CC[N@H+](C)C3)c21 ZINC001255444530 970180219 /nfs/dbraw/zinc/18/02/19/970180219.db2.gz MUYNXENSNLSPDS-WCQYABFASA-N 2 0 248.374 1.603 20 0 BDADRP CC(C)[C@@H]1[NH2+]CCc2ncn([C@@H]3CC[N@H+](C)C3)c21 ZINC001255444531 970181581 /nfs/dbraw/zinc/18/15/81/970181581.db2.gz MUYNXENSNLSPDS-YPMHNXCESA-N 2 0 248.374 1.603 20 0 BDADRP CC[NH+](CC)CCCC[NH2+][C@@H]1CCCN(C)C1 ZINC001255468239 970193539 /nfs/dbraw/zinc/19/35/39/970193539.db2.gz PYWSVTMMZZKHJR-CQSZACIVSA-N 2 0 241.423 1.792 20 0 BDADRP C[N@@H+]1CCC[C@@H](n2c3ccccc3nc2C[NH3+])C1 ZINC001255466454 970193583 /nfs/dbraw/zinc/19/35/83/970193583.db2.gz RHIBDJABWYCIHK-LLVKDONJSA-N 2 0 244.342 1.762 20 0 BDADRP Cn1c[nH+]cc1Nc1ccnn1-c1cc[nH+]cc1 ZINC001211247735 970194323 /nfs/dbraw/zinc/19/43/23/970194323.db2.gz AXLDCFYGSLKBBT-UHFFFAOYSA-N 2 0 240.270 1.744 20 0 BDADRP C[N@@H+]1CCC[C@H](n2ccc3cc(C[NH3+])cnc32)C1 ZINC001255469520 970197513 /nfs/dbraw/zinc/19/75/13/970197513.db2.gz CEVHCTMZNQELTI-ZDUSSCGKSA-N 2 0 244.342 1.762 20 0 BDADRP C[N@@H+]1CCC[C@H](N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC001255487772 970239100 /nfs/dbraw/zinc/23/91/00/970239100.db2.gz VGWBOWCAWIGTJN-KBPBESRZSA-N 2 0 237.391 1.251 20 0 BDADRP COC[C@@H](C)[NH2+]CC1CC[NH+](C2CCC2)CC1 ZINC001255562908 970347879 /nfs/dbraw/zinc/34/78/79/970347879.db2.gz PBICQXKCLCTEEQ-GFCCVEGCSA-N 2 0 240.391 1.875 20 0 BDADRP COC[C@H](C)[NH+]1CCC([NH3+])(CC2CC2)CC1 ZINC001255561832 970350789 /nfs/dbraw/zinc/35/07/89/970350789.db2.gz KIONNCSXZORLIR-NSHDSACASA-N 2 0 226.364 1.615 20 0 BDADRP [NH3+][C@H]1CCc2ccc(C3=CC[NH2+]C3)cc21 ZINC001243116641 970364846 /nfs/dbraw/zinc/36/48/46/970364846.db2.gz VSOLIQLWYIIDIW-ZDUSSCGKSA-N 2 0 200.285 1.619 20 0 BDADRP C[C@@H]1CC[C@@H]([NH+]2CCN(CC[NH+](C)C)CC2)C1 ZINC001170125333 970371417 /nfs/dbraw/zinc/37/14/17/970371417.db2.gz KCERQARRUPJYGL-ZIAGYGMSSA-N 2 0 239.407 1.354 20 0 BDADRP C[C@H](CC(F)(F)F)NC(=[NH2+])SCC[NH3+] ZINC001255637023 970413793 /nfs/dbraw/zinc/41/37/93/970413793.db2.gz WLMALJGHUAJISX-RXMQYKEDSA-N 2 0 229.271 1.544 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N[C@H](C)C[NH+](C)C ZINC001255943417 970562850 /nfs/dbraw/zinc/56/28/50/970562850.db2.gz MIHQVUAJECTXBN-QWHCGFSZSA-N 2 0 229.412 1.647 20 0 BDADRP CC[C@H](O)C[NH2+][C@H](C)CC[NH+](CC)CC ZINC001255942152 970566372 /nfs/dbraw/zinc/56/63/72/970566372.db2.gz DUDRSRJMJCQSSJ-NEPJUHHUSA-N 2 0 216.369 1.467 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]C(C)(C)CO ZINC001255939734 970572024 /nfs/dbraw/zinc/57/20/24/970572024.db2.gz IMIMHBUXJWZOCQ-NSHDSACASA-N 2 0 216.369 1.467 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H](CO)C(C)C ZINC001255941651 970572674 /nfs/dbraw/zinc/57/26/74/970572674.db2.gz WCKKKGWNIHGOLP-OLZOCXBDSA-N 2 0 230.396 1.713 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]CC(C)(C)O ZINC001255940891 970573590 /nfs/dbraw/zinc/57/35/90/970573590.db2.gz IAWWKBMQQPFXOB-NSHDSACASA-N 2 0 216.369 1.467 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H]1C[C@@H](OC)C1 ZINC001255942597 970575525 /nfs/dbraw/zinc/57/55/25/970575525.db2.gz GBJYLGAYXJJEQW-UPJWGTAASA-N 2 0 228.380 1.874 20 0 BDADRP C[C@H]([NH2+]C1CCC(O)CC1)C1CC[NH2+]CC1 ZINC000400345045 970582024 /nfs/dbraw/zinc/58/20/24/970582024.db2.gz ICEDMZPNGFOTNV-PKSQDBQZSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@@H]([NH2+]CC1=CCCOC1)C1CC[NH2+]CC1 ZINC000400362149 970583170 /nfs/dbraw/zinc/58/31/70/970583170.db2.gz DKQVWGIBIOPKEO-LLVKDONJSA-N 2 0 224.348 1.311 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCOC[C@H]1C)C1CC[NH2+]CC1 ZINC000400453535 970592285 /nfs/dbraw/zinc/59/22/85/970592285.db2.gz RSFOXFLACWGEJB-WZRBSPASSA-N 2 0 226.364 1.389 20 0 BDADRP CCN1CCC([NH2+][C@H](C)C2CC[NH2+]CC2)CC1 ZINC000400472295 970593518 /nfs/dbraw/zinc/59/35/18/970593518.db2.gz YKQZVKHKWNJBMA-GFCCVEGCSA-N 2 0 239.407 1.448 20 0 BDADRP Cc1ncn(C2CC[NH+](C3CC3)CC2)c1CC[NH3+] ZINC001256066998 970630838 /nfs/dbraw/zinc/63/08/38/970630838.db2.gz CXCOUGKBZXYJNA-UHFFFAOYSA-N 2 0 248.374 1.492 20 0 BDADRP CC(C)([NH3+])C(C)(C)NC1CC[NH+](C2CC2)CC1 ZINC001256070946 970635447 /nfs/dbraw/zinc/63/54/47/970635447.db2.gz IGSRGCXBQICRQN-UHFFFAOYSA-N 2 0 239.407 1.719 20 0 BDADRP C[C@@H](Cc1ccccc1Cl)[NH2+]C[C@@H](O)C[NH3+] ZINC001170248201 970653800 /nfs/dbraw/zinc/65/38/00/970653800.db2.gz NEXYSMHLRTXGFU-ONGXEEELSA-N 2 0 242.750 1.180 20 0 BDADRP c1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)no1 ZINC000400988457 970653944 /nfs/dbraw/zinc/65/39/44/970653944.db2.gz WQWWYFBAHHWWLV-GMTAPVOTSA-N 2 0 221.304 1.152 20 0 BDADRP COc1cccc(C[C@@H](C)[NH2+]C2CC([NH3+])C2)c1 ZINC001256150431 970673212 /nfs/dbraw/zinc/67/32/12/970673212.db2.gz HDNLHHFRDLNKNC-QFWMXSHPSA-N 2 0 234.343 1.706 20 0 BDADRP COc1cccc(C[C@@H](C)[NH2+]CCCC[NH3+])c1 ZINC001256146323 970673416 /nfs/dbraw/zinc/67/34/16/970673416.db2.gz WSEBLVFPPHDNPX-GFCCVEGCSA-N 2 0 236.359 1.955 20 0 BDADRP C[C@@H]([NH3+])c1ccn(C2CC[NH+](C)CC2)n1 ZINC001256196325 970691280 /nfs/dbraw/zinc/69/12/80/970691280.db2.gz JAHOKENXUFLZAO-SECBINFHSA-N 2 0 208.309 1.170 20 0 BDADRP C[NH+]1CCC([NH+]2CCC3(CCO3)CC2)CC1 ZINC001256208674 970712307 /nfs/dbraw/zinc/71/23/07/970712307.db2.gz MIRYSWBSVCJTHN-UHFFFAOYSA-N 2 0 224.348 1.336 20 0 BDADRP CN1CCC([N@@H+]2CC[C@H](c3ccccn3)C2)CC1 ZINC001256207919 970713206 /nfs/dbraw/zinc/71/32/06/970713206.db2.gz YUWJWNKPXLKNGL-ZDUSSCGKSA-N 2 0 245.370 1.965 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CO[C@H](C)C1 ZINC000401903149 970742984 /nfs/dbraw/zinc/74/29/84/970742984.db2.gz GGAYTNXSAWBLQV-MXWKQRLJSA-N 2 0 200.326 1.094 20 0 BDADRP [NH3+]CC1(F)CC[NH+](Cc2ccc(CO)o2)CC1 ZINC001222538436 972551249 /nfs/dbraw/zinc/55/12/49/972551249.db2.gz MYWZAVYAQAWYSC-UHFFFAOYSA-N 2 0 242.294 1.035 20 0 BDADRP C[C@@H](Cc1ccncc1)[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246541740 972565808 /nfs/dbraw/zinc/56/58/08/972565808.db2.gz NENIYJAEVCLMOR-SGMGOOAPSA-N 2 0 233.359 1.539 20 0 BDADRP [NH3+]CCCC[NH2+]Cc1cn(-c2ccccc2)nn1 ZINC001327416830 972570138 /nfs/dbraw/zinc/57/01/38/972570138.db2.gz UWPQSWUYXLPCFN-UHFFFAOYSA-N 2 0 245.330 1.096 20 0 BDADRP C[C@H]([NH3+])CN1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222596068 972597290 /nfs/dbraw/zinc/59/72/90/972597290.db2.gz PKCUZBYJHPZBJU-GXTWGEPZSA-N 2 0 245.370 1.023 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@](F)(C[NH3+])CC2)CC[NH2+]1 ZINC001246545287 972630438 /nfs/dbraw/zinc/63/04/38/972630438.db2.gz ASNPHBOTKZCUNO-JHJVBQTASA-N 3 0 243.370 1.280 20 0 BDADRP C[C@H]1C[C@H]([N@@H+]2CCC[C@@](F)(C[NH3+])CC2)CC[NH2+]1 ZINC001246545290 972631137 /nfs/dbraw/zinc/63/11/37/972631137.db2.gz ASNPHBOTKZCUNO-XQQFMLRXSA-N 3 0 243.370 1.280 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@](F)(C[NH3+])CC2)CC[NH2+]1 ZINC001246545284 972631723 /nfs/dbraw/zinc/63/17/23/972631723.db2.gz ASNPHBOTKZCUNO-AGIUHOORSA-N 3 0 243.370 1.280 20 0 BDADRP c1nc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)n[nH]1 ZINC001327562250 972638498 /nfs/dbraw/zinc/63/84/98/972638498.db2.gz KKIWOSHTZMRBQC-RYUDHWBXSA-N 2 0 249.362 1.016 20 0 BDADRP C[C@@H]1CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1C[NH3+] ZINC001246547371 972671004 /nfs/dbraw/zinc/67/10/04/972671004.db2.gz CSWRJCXTBNEPDD-LSGALXMHSA-N 2 0 237.391 1.186 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)CCO1 ZINC001246553612 972744413 /nfs/dbraw/zinc/74/44/13/972744413.db2.gz BNEOQQJGGNXRRC-MXWKQRLJSA-N 2 0 248.317 1.470 20 0 BDADRP C[C@@H]1CCN([C@H]2CC[NH2+]C3(CCC3)C2)C[C@@H]1[NH3+] ZINC001246561966 972797437 /nfs/dbraw/zinc/79/74/37/972797437.db2.gz HKKDIYKSMVBGNA-AGIUHOORSA-N 2 0 237.391 1.330 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH3+])N([C@H]2CC[NH2+]C(C)(C)C2)C1 ZINC001246564055 972802573 /nfs/dbraw/zinc/80/25/73/972802573.db2.gz DEPUBFBFDWPUEK-AGIUHOORSA-N 2 0 239.407 1.576 20 0 BDADRP C[C@@H]1CN([C@@H]2CCC[NH2+]C2)CCC[C@@H]1C[NH3+] ZINC001246567382 972817746 /nfs/dbraw/zinc/81/77/46/972817746.db2.gz KSKRDEMTNJDAHI-JHJVBQTASA-N 2 0 225.380 1.045 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@@H+](C2C[C@@H]3C=C[C@H](C2)[NH2+]3)CC1 ZINC001246582685 972945855 /nfs/dbraw/zinc/94/58/55/972945855.db2.gz SFDBJNVGCXJUKB-IZGVIRRGSA-N 3 0 249.402 1.496 20 0 BDADRP CC(C)=CCC[C@H](C)[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246586944 972978468 /nfs/dbraw/zinc/97/84/68/972978468.db2.gz UUGQLNHHLVIMFV-AVGNSLFASA-N 2 0 226.364 1.373 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](C)N1[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246587833 972979939 /nfs/dbraw/zinc/97/99/39/972979939.db2.gz UZNMUFMDQZHACK-XQQFMLRXSA-N 2 0 237.391 1.343 20 0 BDADRP C1CN([C@@H]2CCC[NH2+]C2)[C@]2(C1)CCC[NH2+]CC2 ZINC001246606877 973027290 /nfs/dbraw/zinc/02/72/90/973027290.db2.gz OFOUHPAVAUJOBR-KGLIPLIRSA-N 2 0 237.391 1.347 20 0 BDADRP C[C@@H]1CC[C@H](N2CCC[C@@]3(CCC[NH2+]3)C2)C[NH2+]1 ZINC001246616273 973037347 /nfs/dbraw/zinc/03/73/47/973037347.db2.gz GXAZXVBXSGRGFZ-RDBSUJKOSA-N 2 0 237.391 1.345 20 0 BDADRP C1C[C@@H]2[C@@H](CC[N@@H+]2[C@H]2CCC[C@]3(CC[NH2+]C3)C2)[NH2+]1 ZINC001246634745 973051761 /nfs/dbraw/zinc/05/17/61/973051761.db2.gz AWRPRQATZMDUOJ-YJNKXOJESA-N 3 0 249.402 1.345 20 0 BDADRP C1[NH2+]CC12CCCN2C1CCC2(CC[NH2+]C2)CC1 ZINC001246641073 973059440 /nfs/dbraw/zinc/05/94/40/973059440.db2.gz GRXDWIYPOGYMSR-UHFFFAOYSA-N 2 0 249.402 1.347 20 0 BDADRP CC[NH2+]CCCNC(=O)[C@@H]([NH3+])C1CCCCC1 ZINC001328449365 973065931 /nfs/dbraw/zinc/06/59/31/973065931.db2.gz CVEJWKNIWQEOMH-LBPRGKRZSA-N 2 0 241.379 1.010 20 0 BDADRP CC[NH2+]C1CCN([C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246800685 973100560 /nfs/dbraw/zinc/10/05/60/973100560.db2.gz GAMQZHIVQGYJPV-YPMHNXCESA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@]3(CCO3)C2)CC[NH2+]1 ZINC001246828661 973120007 /nfs/dbraw/zinc/12/00/07/973120007.db2.gz FMZWIVPRJVBWCH-AGIUHOORSA-N 2 0 224.348 1.382 20 0 BDADRP C[C@@H]1C[C@H](C)C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246836724 973133115 /nfs/dbraw/zinc/13/31/15/973133115.db2.gz BOHHDCDWFWTLDL-XQQFMLRXSA-N 2 0 237.391 1.058 20 0 BDADRP C[NH2+]Cc1cccc(N[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC001246848776 973155355 /nfs/dbraw/zinc/15/53/55/973155355.db2.gz DXDJYGKRVRTOSQ-SMDDNHRTSA-N 2 0 233.359 1.958 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001246854631 973169925 /nfs/dbraw/zinc/16/99/25/973169925.db2.gz QMDLOAKGZKHEMV-BLYZHGLHSA-N 3 0 237.391 1.282 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2C[C@@H]3CC[C@@]3([NH3+])C2)CC[NH2+]1 ZINC001246857757 973171464 /nfs/dbraw/zinc/17/14/64/973171464.db2.gz BRJPVOBUMMIXQE-RFQIPJPRSA-N 2 0 237.391 1.186 20 0 BDADRP C[C@H]1C[C@@H]([N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)CC[NH2+]1 ZINC001246874894 973265743 /nfs/dbraw/zinc/26/57/43/973265743.db2.gz WNZARWZSHAGUDY-UHFZAUJKSA-N 2 0 212.312 1.274 20 0 BDADRP C[C@@H]1C[C@@H](N2C[C@H](C)[NH2+]C[C@@H]2C)C[C@H](C)[NH2+]1 ZINC001246875431 973300105 /nfs/dbraw/zinc/30/01/05/973300105.db2.gz VRSICDZLVDGJLJ-PPCPHDFISA-N 2 0 225.380 1.198 20 0 BDADRP CCCC[C@H]1C[C@H](N2C[C@@H](C)[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246883559 973325953 /nfs/dbraw/zinc/32/59/53/973325953.db2.gz WNRPMTJBVQIVCK-RQJABVFESA-N 2 0 239.407 1.576 20 0 BDADRP CCC[C@H]1CN([C@@H]2CC[NH2+][C@@H](CC)C2)CC[NH2+]1 ZINC001246896941 973348741 /nfs/dbraw/zinc/34/87/41/973348741.db2.gz BVZJNTMNMNACJI-MELADBBJSA-N 2 0 239.407 1.591 20 0 BDADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C[C@@H]1CCC[NH2+]C1 ZINC000720891290 973379201 /nfs/dbraw/zinc/37/92/01/973379201.db2.gz DZMJXKMQTVSACY-HZSPNIEDSA-N 2 0 237.391 1.155 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[N@H+](C)CCO ZINC001246911766 973427265 /nfs/dbraw/zinc/42/72/65/973427265.db2.gz IMRUGSFUSVMRRW-LLVKDONJSA-N 2 0 202.342 1.031 20 0 BDADRP CCCC[C@@H]1C[C@H](N2C[C@H]3C[NH2+]C[C@@H]32)CC[NH2+]1 ZINC001246916487 973471504 /nfs/dbraw/zinc/47/15/04/973471504.db2.gz HUMIPWFNQHDXJU-SYQHCUMBSA-N 2 0 237.391 1.201 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)N1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001246920000 973490683 /nfs/dbraw/zinc/49/06/83/973490683.db2.gz OHARKKSWDRCHPN-IHRRRGAJSA-N 2 0 239.407 1.401 20 0 BDADRP CCCC(CCC)[N@@H+]1C[C@H](N)[C@@H](C(=O)OC)C1 ZINC001246929998 973571837 /nfs/dbraw/zinc/57/18/37/973571837.db2.gz JGNVGFDZZJTLCW-RYUDHWBXSA-N 2 0 242.363 1.387 20 0 BDADRP CCCC[C@H]1C[C@@H](N2C[C@@H]3C[NH2+][C@@H]3C2)CC[NH2+]1 ZINC001246937631 973619534 /nfs/dbraw/zinc/61/95/34/973619534.db2.gz ZVFCFIJHPATOBI-XDQVBPFNSA-N 2 0 237.391 1.201 20 0 BDADRP CCN(C[C@@H]1CC[NH2+]C1)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246942161 973635014 /nfs/dbraw/zinc/63/50/14/973635014.db2.gz NHRUZDXLSHRQSC-YNEHKIRRSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H]1C[C@H](N(C2CCC2)[C@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001246984821 973743157 /nfs/dbraw/zinc/74/31/57/973743157.db2.gz HNYOCYGNPLLKBV-XBFCOCLRSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@H]([NH3+])CN(C)[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246981792 973747039 /nfs/dbraw/zinc/74/70/39/973747039.db2.gz RFRFWCSHQODFOX-NWANDNLSSA-N 2 0 247.386 1.759 20 0 BDADRP C/C=C(\NC=[NH2+])n1cc2ccc(C[NH3+])cc2n1 ZINC001171315056 973777963 /nfs/dbraw/zinc/77/79/63/973777963.db2.gz LAXWHZKBFQUFKY-SWGQDTFXSA-N 2 0 229.287 1.510 20 0 BDADRP CC1(C)C[C@H](N2CC[NH2+]C3=CCCC[C@H]32)CC[NH2+]1 ZINC001246998476 973795807 /nfs/dbraw/zinc/79/58/07/973795807.db2.gz XHASJDNJJNKFDA-TZMCWYRMSA-N 2 0 249.402 1.859 20 0 BDADRP C[C@@H]1C[C@H](N2CC[NH2+]C3=CCCC[C@@H]32)C[NH2+]1 ZINC001246998477 973797194 /nfs/dbraw/zinc/79/71/94/973797194.db2.gz XISMPGUUIJICDB-MDZLAQPJSA-N 2 0 221.348 1.078 20 0 BDADRP C[N@@H+]1CC[C@H](OCCC[NH+]2CCCC2)C1 ZINC001224745069 973899615 /nfs/dbraw/zinc/89/96/15/973899615.db2.gz VYQDEXSVDHUWIO-LBPRGKRZSA-N 2 0 212.337 1.193 20 0 BDADRP Cn1c[nH+]cc1N1c2ccccc2OC[C@H]1C[NH3+] ZINC001171400701 974008296 /nfs/dbraw/zinc/00/82/96/974008296.db2.gz NVJRSZWJXQTOMP-SNVBAGLBSA-N 2 0 244.298 1.278 20 0 BDADRP C[N@@H+]1CC[C@@H](OCCC[NH+]2CCCCC2)C1 ZINC001224855757 974027578 /nfs/dbraw/zinc/02/75/78/974027578.db2.gz SETLPZBUGWKTPB-CYBMUJFWSA-N 2 0 226.364 1.583 20 0 BDADRP [NH3+][C@H]1CCCN([C@@H]2Cc3cccc(F)c3C2)C1 ZINC001171775126 974158728 /nfs/dbraw/zinc/15/87/28/974158728.db2.gz HWGUBCIGAFQXCD-NWDGAFQWSA-N 2 0 234.318 1.716 20 0 BDADRP CCN1CC[C@@H]([N@H+](CCC[NH3+])C(C)C)CC1=O ZINC001172024114 974281768 /nfs/dbraw/zinc/28/17/68/974281768.db2.gz VEGWLCORNBXHOW-GFCCVEGCSA-N 2 0 241.379 1.057 20 0 BDADRP C[NH2+][C@@H](C)CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001330579043 974332881 /nfs/dbraw/zinc/33/28/81/974332881.db2.gz VTGMIBZGJWQUQJ-NSHDSACASA-N 2 0 243.395 1.079 20 0 BDADRP C[N@@H+]1CC[C@@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172098342 974338773 /nfs/dbraw/zinc/33/87/73/974338773.db2.gz CBNXOANEULJXOW-YIYPIFLZSA-N 2 0 237.391 1.295 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1COC1)C2 ZINC001172098188 974341095 /nfs/dbraw/zinc/34/10/95/974341095.db2.gz BNSTZVOPUJCYBD-CLLJXQQHSA-N 2 0 224.348 1.238 20 0 BDADRP COC[C@@H]1CC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172130078 974350982 /nfs/dbraw/zinc/35/09/82/974350982.db2.gz HAGCLHZMQYZXSS-CRWXNKLISA-N 2 0 238.375 1.722 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@@H]3C[C@H]1CO3)C2 ZINC001172124914 974353463 /nfs/dbraw/zinc/35/34/63/974353463.db2.gz MXKGLIPRPOZOCJ-ZSLBOAEBSA-N 2 0 236.359 1.475 20 0 BDADRP CC(=O)OCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172110412 974372942 /nfs/dbraw/zinc/37/29/42/974372942.db2.gz MNRPFPFDTQBXSF-XYYAHUGASA-N 2 0 240.347 1.154 20 0 BDADRP N[C@@H]1CC[N@H+](CCC23CC([NH3+])(C2)C3)CC[C@H]1F ZINC001206157176 974375956 /nfs/dbraw/zinc/37/59/56/974375956.db2.gz XATFJFVOZTXADS-OKZRHMCRSA-N 2 0 241.354 1.019 20 0 BDADRP C[NH+]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172114697 974384375 /nfs/dbraw/zinc/38/43/75/974384375.db2.gz SIIUCMHNGYLTJW-WDNDVIMCSA-N 2 0 237.391 1.249 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1CCC[C@@H]1[NH3+])C2 ZINC001172114710 974384880 /nfs/dbraw/zinc/38/48/80/974384880.db2.gz SKEDYHATZOHEDC-ZUWCUPBKSA-N 2 0 237.391 1.471 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001172217641 974444269 /nfs/dbraw/zinc/44/42/69/974444269.db2.gz HMLHVGWCWVIPNN-RLAWYHOSSA-N 2 0 238.375 1.628 20 0 BDADRP C[NH+](C)CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172218227 974446167 /nfs/dbraw/zinc/44/61/67/974446167.db2.gz YFCDKQIUYYRQPZ-YHWZYXNKSA-N 2 0 226.364 1.628 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH2+]C2C[C@@H]3C=C[C@H](C2)O3)C1 ZINC001172232929 974476421 /nfs/dbraw/zinc/47/64/21/974476421.db2.gz NFZHBTMWHHLFLA-FUDCBSFHSA-N 2 0 236.359 1.404 20 0 BDADRP CC1(C)C[C@@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)CO1 ZINC001172279337 974504529 /nfs/dbraw/zinc/50/45/29/974504529.db2.gz LNVVXNOWMNKOSO-GARJFASQSA-N 2 0 212.337 1.413 20 0 BDADRP COCCC[NH+]1CCC([NH2+][C@@H]2CC2(C)C)CC1 ZINC001172246852 974512076 /nfs/dbraw/zinc/51/20/76/974512076.db2.gz XHPFGTXAZYPQJU-CYBMUJFWSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)([NH3+])CCNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC001330951137 974540573 /nfs/dbraw/zinc/54/05/73/974540573.db2.gz GNXPBFQUNRRVIV-LLVKDONJSA-N 2 0 241.379 1.010 20 0 BDADRP CC1(C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C[NH2+]C1 ZINC001331058072 974579028 /nfs/dbraw/zinc/57/90/28/974579028.db2.gz KQHMJZSLZVQJHF-NWDGAFQWSA-N 2 0 245.326 1.049 20 0 BDADRP CC[C@@H](C)OCC[C@@H](C)[NH2+]C1(C[NH3+])CC1 ZINC001172348587 974617978 /nfs/dbraw/zinc/61/79/78/974617978.db2.gz IUJQQFLZCOYJEM-GHMZBOCLSA-N 2 0 214.353 1.661 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CCC[N@H+](C)CCO)C[C@H]1C ZINC001172365439 974643998 /nfs/dbraw/zinc/64/39/98/974643998.db2.gz BPQZXKJSYXUTJI-MCIONIFRSA-N 2 0 242.407 1.715 20 0 BDADRP C[C@@H]([NH2+]CCCCCCC[NH+](C)C)[C@H](C)O ZINC001331974078 974900845 /nfs/dbraw/zinc/90/08/45/974900845.db2.gz ZQZLKQYYQWMSQP-OLZOCXBDSA-N 2 0 230.396 1.857 20 0 BDADRP COC(=O)[C@@H]1CCC[C@H]([NH2+]C[C@H](C)C[NH3+])CC1 ZINC001172802964 974956397 /nfs/dbraw/zinc/95/63/97/974956397.db2.gz ZHSSUKQEYQEBAF-UTUOFQBUSA-N 2 0 242.363 1.293 20 0 BDADRP CO[C@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC001172924654 974970498 /nfs/dbraw/zinc/97/04/98/974970498.db2.gz XBFLSVBUTRCPKP-CYDGBPFRSA-N 2 0 226.364 1.804 20 0 BDADRP CC[NH+](CC)C1CCC([NH+]2CCOCC2)CC1 ZINC001173108251 975024190 /nfs/dbraw/zinc/02/41/90/975024190.db2.gz HOYCNSIGNIUOJE-UHFFFAOYSA-N 2 0 240.391 1.972 20 0 BDADRP CC[NH+](CC)C1CCC([NH2+]CCO)CC1 ZINC001173105960 975026929 /nfs/dbraw/zinc/02/69/29/975026929.db2.gz OVVWEONZJSAARM-UHFFFAOYSA-N 2 0 214.353 1.221 20 0 BDADRP [NH3+]C[C@@H](O)C[NH2+]C1CCC2(CCCCC2)CC1 ZINC001173117004 975028286 /nfs/dbraw/zinc/02/82/86/975028286.db2.gz IKYUKGJQCFOIES-CYBMUJFWSA-N 2 0 240.391 1.789 20 0 BDADRP CC(C)(C[NH3+])[NH2+][C@@H]1CCc2ncsc2C1 ZINC001173122367 975032080 /nfs/dbraw/zinc/03/20/80/975032080.db2.gz YUSPVUZBXCXLGM-MRVPVSSYSA-N 2 0 225.361 1.327 20 0 BDADRP CC(C)(C[NH3+])[NH2+][C@H]1CCc2ncsc2C1 ZINC001173122368 975032720 /nfs/dbraw/zinc/03/27/20/975032720.db2.gz YUSPVUZBXCXLGM-QMMMGPOBSA-N 2 0 225.361 1.327 20 0 BDADRP C[C@H]1C[C@@H]([N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)CCO1 ZINC001173174364 975052982 /nfs/dbraw/zinc/05/29/82/975052982.db2.gz SDWMYLZXZGZXJN-IHRRRGAJSA-N 2 0 238.375 1.582 20 0 BDADRP C[C@@H](C[NH3+])C[N@H+](C)[C@H]1CCO[C@@H](C)C1 ZINC001173170023 975062632 /nfs/dbraw/zinc/06/26/32/975062632.db2.gz IENPGKILGLVKHE-DCAQKATOSA-N 2 0 200.326 1.081 20 0 BDADRP C[C@@H]1CN(C)CC[C@@H]1[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC001173171495 975064905 /nfs/dbraw/zinc/06/49/05/975064905.db2.gz XMGKHLIQBKAUEV-XQHKEYJVSA-N 2 0 226.364 1.484 20 0 BDADRP CC[N@@H+]1CCC[C@H](CNC(=[NH2+])NCC2CC2)C1 ZINC001332378119 975079837 /nfs/dbraw/zinc/07/98/37/975079837.db2.gz VNJMKKAGQKLQSD-GFCCVEGCSA-N 2 0 238.379 1.242 20 0 BDADRP C([C@@H]1CCCC[NH2+]1)N1CCC2(CCC[NH2+]2)CC1 ZINC001226783893 975080988 /nfs/dbraw/zinc/08/09/88/975080988.db2.gz HSHZDZGUBFSVBK-ZDUSSCGKSA-N 2 0 237.391 1.347 20 0 BDADRP CCCC[C@@H](CC(C)C)[NH2+]C[C@H](O)C[NH3+] ZINC001173245549 975082230 /nfs/dbraw/zinc/08/22/30/975082230.db2.gz HRPMHMHOWYJYIQ-NWDGAFQWSA-N 2 0 216.369 1.501 20 0 BDADRP CC[C@@H]1CC[C@@H]([NH+]2CCN(CC[NH3+])CC2)C1 ZINC001173268618 975137117 /nfs/dbraw/zinc/13/71/17/975137117.db2.gz ZEXTUONBPFMEDD-CHWSQXEVSA-N 2 0 225.380 1.141 20 0 BDADRP CC[NH+](CC)C[C@H](O)C[NH2+][C@H]1CC12CCC2 ZINC000721186835 975189571 /nfs/dbraw/zinc/18/95/71/975189571.db2.gz IBHZKLKOVYWJND-NEPJUHHUSA-N 2 0 226.364 1.221 20 0 BDADRP CC[NH+](CC)C[C@@H](O)C[NH2+][C@@H]1CC12CCC2 ZINC000721186836 975190082 /nfs/dbraw/zinc/19/00/82/975190082.db2.gz IBHZKLKOVYWJND-NWDGAFQWSA-N 2 0 226.364 1.221 20 0 BDADRP CCN1CC[C@@H]([NH2+][C@H]2CC[C@H]([NH+](C)C)CC2)C1 ZINC001173353231 975286147 /nfs/dbraw/zinc/28/61/47/975286147.db2.gz JXMQVYBZWVZUSE-MGPQQGTHSA-N 2 0 239.407 1.543 20 0 BDADRP [NH3+]CCCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC001332879379 975305329 /nfs/dbraw/zinc/30/53/29/975305329.db2.gz QLENHXCTNFZNKS-KBPBESRZSA-N 3 0 239.407 1.483 20 0 BDADRP CC[N@@H+]1CC[C@H](n2nnc3ccc(C[NH3+])cc32)C1 ZINC001173355000 975310085 /nfs/dbraw/zinc/31/00/85/975310085.db2.gz LYNWCKWCRGRHFL-NSHDSACASA-N 2 0 245.330 1.157 20 0 BDADRP CC[N@@H+]1CC[C@H](n2cc3ccc(C[NH3+])cc3n2)C1 ZINC001173356147 975315342 /nfs/dbraw/zinc/31/53/42/975315342.db2.gz BDGCSCLCHYWKRE-ZDUSSCGKSA-N 2 0 244.342 1.762 20 0 BDADRP CC[N@@H+]1CC[C@H](N2C[C@@H](C[NH3+])c3ccccc32)C1 ZINC001173361302 975334426 /nfs/dbraw/zinc/33/44/26/975334426.db2.gz USDWEDBJOFDXKQ-OLZOCXBDSA-N 2 0 245.370 1.643 20 0 BDADRP CC[N@@H+]1CC[C@@H](N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC001173365383 975347333 /nfs/dbraw/zinc/34/73/33/975347333.db2.gz HBNXIGZQWGJPPF-KGLIPLIRSA-N 2 0 237.391 1.251 20 0 BDADRP CC[N@H+](C)C1CCN([C@@H]2CC[NH+](CC)C2)CC1 ZINC001173375040 975363464 /nfs/dbraw/zinc/36/34/64/975363464.db2.gz QBJQHYJQKGMIGA-CQSZACIVSA-N 2 0 239.407 1.497 20 0 BDADRP CCC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@H](C)[NH3+] ZINC001333319911 975654047 /nfs/dbraw/zinc/65/40/47/975654047.db2.gz KQFGRRBLDSSGSB-RYUDHWBXSA-N 2 0 241.379 1.104 20 0 BDADRP COC1(C[NH2+][C@H](C)Cn2ccnc2)CCC1 ZINC001333338500 975677819 /nfs/dbraw/zinc/67/78/19/975677819.db2.gz ORVVLRMEEXNSRP-LLVKDONJSA-N 2 0 223.320 1.430 20 0 BDADRP CC(C)([NH3+])CC[NH2+]C1CCN(CC(F)F)CC1 ZINC001333583455 975868518 /nfs/dbraw/zinc/86/85/18/975868518.db2.gz RGUJXDQMKLLRLF-UHFFFAOYSA-N 2 0 249.349 1.433 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC001333623272 975898707 /nfs/dbraw/zinc/89/87/07/975898707.db2.gz YCOZTDIFYGCANM-KGLIPLIRSA-N 2 0 238.375 1.489 20 0 BDADRP CCC1([NH3+])CC[NH+](C2CCC(C[NH3+])CC2)CC1 ZINC001334829458 976727888 /nfs/dbraw/zinc/72/78/88/976727888.db2.gz VIWPMDUQZRIWEU-UHFFFAOYSA-N 3 0 239.407 1.707 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001335251062 976899415 /nfs/dbraw/zinc/89/94/15/976899415.db2.gz HREIYWDNYLFQCZ-QJPTWQEYSA-N 2 0 226.364 1.519 20 0 BDADRP C[N@@H+]1CC[C@H](Oc2cc3c(cc2O)C=NCC3)C1 ZINC001230915148 977379270 /nfs/dbraw/zinc/37/92/70/977379270.db2.gz NEOKIAOXACSFLR-LBPRGKRZSA-N 2 0 246.310 1.450 20 0 BDADRP C[C@]1(C2CC2)COCCN1C[C@@H]1CCC[NH2+]C1 ZINC001336096235 977499859 /nfs/dbraw/zinc/49/98/59/977499859.db2.gz RAYKXPDMHKYOHT-TZMCWYRMSA-N 2 0 238.375 1.487 20 0 BDADRP CCc1cc(NC2=CCC[N@H+](C)C2)cc[nH+]1 ZINC001175575977 977583175 /nfs/dbraw/zinc/58/31/75/977583175.db2.gz ALDLZFQUAHGXAN-UHFFFAOYSA-N 2 0 217.316 1.697 20 0 BDADRP C1CC1[N@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CCOC1)C2 ZINC001336269150 977606001 /nfs/dbraw/zinc/60/60/01/977606001.db2.gz AEUHGPXMHUUGMH-CRMUJIHISA-N 2 0 236.359 1.523 20 0 BDADRP c1cc(NC2CC[NH+]([C@H]3CCOC3)CC2)cc[nH+]1 ZINC001336391403 977655903 /nfs/dbraw/zinc/65/59/03/977655903.db2.gz KLCBEBPDAPXKRT-AWEZNQCLSA-N 2 0 247.342 1.169 20 0 BDADRP CCC[N@@H+]1CC[C@@H](CNc2nccnc2C[NH3+])C1 ZINC001336496036 977719195 /nfs/dbraw/zinc/71/91/95/977719195.db2.gz TXCUSTHINNEBSN-NSHDSACASA-N 2 0 249.362 1.079 20 0 BDADRP Cc1[nH+]cn(-c2ccc(C[NH3+])cc2)c1N ZINC001175966978 977836521 /nfs/dbraw/zinc/83/65/21/977836521.db2.gz XGYHYURQCCRUTM-UHFFFAOYSA-N 2 0 202.261 1.222 20 0 BDADRP C[C@H]1C[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C[C@@H]1O ZINC001232011304 977837991 /nfs/dbraw/zinc/83/79/91/977837991.db2.gz AQKSWYYGSLWTHW-ZANVPECISA-N 2 0 231.299 1.376 20 0 BDADRP C[C@H]1C[N@H+](Cc2cc3c[nH+]ccc3[nH]2)CC[C@H]1O ZINC001232011693 977840418 /nfs/dbraw/zinc/84/04/18/977840418.db2.gz OCZSJRAXQMOEHM-IINYFYTJSA-N 2 0 245.326 1.766 20 0 BDADRP C[C@H](O)[C@H](C)[NH2+]Cc1ccccc1C[NH+](C)C ZINC001336702813 977865075 /nfs/dbraw/zinc/86/50/75/977865075.db2.gz FTJMDIVMPJGJSB-RYUDHWBXSA-N 2 0 236.359 1.607 20 0 BDADRP C[NH+](C)CC1CC[NH+](Cc2cncc(O)c2)CC1 ZINC001232041778 977866186 /nfs/dbraw/zinc/86/61/86/977866186.db2.gz KTBIYHFTLPWITE-UHFFFAOYSA-N 2 0 249.358 1.561 20 0 BDADRP C[N@@H+]1CCC2(C1)CC[NH+](CC(F)F)CC2 ZINC001277645677 977998869 /nfs/dbraw/zinc/99/88/69/977998869.db2.gz YBHBKIYENMSQPB-UHFFFAOYSA-N 2 0 218.291 1.669 20 0 BDADRP CC[N@@H+]1CCC[C@@H](OCC[NH+](C)C)C1 ZINC001206278736 978149031 /nfs/dbraw/zinc/14/90/31/978149031.db2.gz RYYDVBVKUUUBPP-LLVKDONJSA-N 2 0 200.326 1.049 20 0 BDADRP C[NH+](C)CCCO[C@H]1CCC[N@H+](C)C1 ZINC001206287642 978253493 /nfs/dbraw/zinc/25/34/93/978253493.db2.gz SLDWSUSWZKHXCV-NSHDSACASA-N 2 0 200.326 1.049 20 0 BDADRP CC(C)C[NH2+]CCCNC(=O)C[N@H+](C)C(C)C ZINC001176985987 978268705 /nfs/dbraw/zinc/26/87/05/978268705.db2.gz AOIXLXDLYOUMAA-UHFFFAOYSA-N 2 0 243.395 1.079 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@H+](C[C@@H]2CCOC2)CC1 ZINC001206292433 978285094 /nfs/dbraw/zinc/28/50/94/978285094.db2.gz ALULPKQHVUDIQN-STQMWFEESA-N 2 0 226.364 1.474 20 0 BDADRP COCOCCC[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206292653 978286752 /nfs/dbraw/zinc/28/67/52/978286752.db2.gz DGZCYLYQNNHFNV-CYBMUJFWSA-N 2 0 244.379 1.448 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2ccnc(N)c2)CC1 ZINC001206310890 978482506 /nfs/dbraw/zinc/48/25/06/978482506.db2.gz DWSOMORVHGHSSU-CQSZACIVSA-N 2 0 248.374 1.615 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2ccnc(N)c2)CC1 ZINC001206310889 978482757 /nfs/dbraw/zinc/48/27/57/978482757.db2.gz DWSOMORVHGHSSU-AWEZNQCLSA-N 2 0 248.374 1.615 20 0 BDADRP CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC000722160166 978904190 /nfs/dbraw/zinc/90/41/90/978904190.db2.gz TUDHYWXUULSLLH-NEPJUHHUSA-N 2 0 243.395 1.221 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H](Nc3cc[nH+]cc3)[C@H]2C1 ZINC001339998988 978953584 /nfs/dbraw/zinc/95/35/84/978953584.db2.gz LMFBIVUGTJSHAC-DRZSPHRISA-N 2 0 217.316 1.256 20 0 BDADRP c1c(CN2CC[C@@H]3[NH2+]CC[C@H]32)[nH]c2cc[nH+]cc12 ZINC001235045541 978962357 /nfs/dbraw/zinc/96/23/57/978962357.db2.gz UMIVFQFYCQCQIM-UONOGXRCSA-N 2 0 242.326 1.499 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC001340062749 978962566 /nfs/dbraw/zinc/96/25/66/978962566.db2.gz HTJCZVUNIFXBAS-XDQVBPFNSA-N 2 0 240.391 1.637 20 0 BDADRP [NH3+]CCCC[N@@H+]1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001235092814 978974254 /nfs/dbraw/zinc/97/42/54/978974254.db2.gz WSBNBCIFXQMLKS-LLVKDONJSA-N 3 0 247.333 1.046 20 0 BDADRP CC[NH2+]CCN1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235153185 978981278 /nfs/dbraw/zinc/98/12/78/978981278.db2.gz QNAAHWIFWJTCPD-AWEZNQCLSA-N 2 0 239.407 1.450 20 0 BDADRP [NH3+]CCCC[NH+]1CCC2(CC(F)C2)CC1 ZINC001235134755 978981320 /nfs/dbraw/zinc/98/13/20/978981320.db2.gz CTCVRRKPYBQNTN-UHFFFAOYSA-N 2 0 214.328 1.939 20 0 BDADRP [NH3+][C@]12C[C@H]1CN(CCC[NH2+]C1CCCCC1)C2 ZINC001235148527 978981669 /nfs/dbraw/zinc/98/16/69/978981669.db2.gz XSSXQFIWGQPLRB-JSGCOSHPSA-N 2 0 237.391 1.332 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235127125 978982088 /nfs/dbraw/zinc/98/20/88/978982088.db2.gz XOHAMZHPPPTSHK-CQSZACIVSA-N 3 0 237.391 1.204 20 0 BDADRP OCCCC[N@@H+]1CCCCC12CC[NH2+]CC2 ZINC001235190434 978992704 /nfs/dbraw/zinc/99/27/04/978992704.db2.gz IBXQYFFKCRJQKH-UHFFFAOYSA-N 2 0 226.364 1.367 20 0 BDADRP C(CN1C[C@H]2CCC[NH2+][C@H]2C1)[C@@H]1CCCC[NH2+]1 ZINC001235208983 978997336 /nfs/dbraw/zinc/99/73/36/978997336.db2.gz FAIPVKITNUFMPQ-RDBSUJKOSA-N 2 0 237.391 1.202 20 0 BDADRP c1ncc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)[nH]1 ZINC001235229462 978998498 /nfs/dbraw/zinc/99/84/98/978998498.db2.gz MNRMFERZRLTLNB-CQSZACIVSA-N 2 0 248.374 1.764 20 0 BDADRP C[NH2+]CCC[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235232664 978998948 /nfs/dbraw/zinc/99/89/48/978998948.db2.gz KWYXXRWBHGPBIR-CQSZACIVSA-N 3 0 239.407 1.450 20 0 BDADRP CC[NH2+]CCN1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235232044 978999399 /nfs/dbraw/zinc/99/93/99/978999399.db2.gz GQQCXBOPSPAZRX-AWEZNQCLSA-N 2 0 239.407 1.450 20 0 BDADRP OCCCC[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235230351 978999881 /nfs/dbraw/zinc/99/98/81/978999881.db2.gz BCVLCKQZDOSOBD-CQSZACIVSA-N 2 0 240.391 1.613 20 0 BDADRP [NH3+]Cc1cccc(CN2C[C@H]3CCC[NH2+][C@H]3C2)c1 ZINC001235219640 979001029 /nfs/dbraw/zinc/00/10/29/979001029.db2.gz WEJADNYQFLMCRV-CABCVRRESA-N 2 0 245.370 1.329 20 0 BDADRP [NH3+]CCCC[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235234250 979001947 /nfs/dbraw/zinc/00/19/47/979001947.db2.gz WXRHIZMNOKDQIE-CQSZACIVSA-N 3 0 239.407 1.579 20 0 BDADRP OCCCCC[N@@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235400442 979035075 /nfs/dbraw/zinc/03/50/75/979035075.db2.gz CZEYOMUXEVVLRL-OLZOCXBDSA-N 2 0 244.354 1.173 20 0 BDADRP OCCCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235425514 979042084 /nfs/dbraw/zinc/04/20/84/979042084.db2.gz LNCYBYFGUCQWMS-KBPBESRZSA-N 2 0 240.391 1.471 20 0 BDADRP Cc1ccc(C[NH+]2CCN(C[C@@H](C)[NH3+])CC2)cc1 ZINC001235692472 979122422 /nfs/dbraw/zinc/12/24/22/979122422.db2.gz OAZQKOIZFZQQPT-CQSZACIVSA-N 2 0 247.386 1.460 20 0 BDADRP CC[NH2+]C1CCN(CC[C@@H]2CCCC[NH2+]2)CC1 ZINC001235726658 979123420 /nfs/dbraw/zinc/12/34/20/979123420.db2.gz VHRGWDXUBXMGGV-ZDUSSCGKSA-N 2 0 239.407 1.593 20 0 BDADRP O=C(CC[NH2+]C1CC1)Nc1cccc2c1C[NH2+]C2 ZINC001340881848 979139182 /nfs/dbraw/zinc/13/91/82/979139182.db2.gz QALBHRJANFFNRY-UHFFFAOYSA-N 2 0 245.326 1.370 20 0 BDADRP CCN(CC[C@@H]1CCCC[NH2+]1)C1CC[NH2+]CC1 ZINC001235762190 979143990 /nfs/dbraw/zinc/14/39/90/979143990.db2.gz WKZQLGOTHJYCIR-ZDUSSCGKSA-N 2 0 239.407 1.593 20 0 BDADRP C[NH2+][C@@H]1CCN(CC2CC3(C2)CC[NH2+]CC3)C1 ZINC001235828891 979161903 /nfs/dbraw/zinc/16/19/03/979161903.db2.gz KSQMBJTVZSEEDY-CYBMUJFWSA-N 2 0 237.391 1.060 20 0 BDADRP [NH3+]CCCC[N@@H+]1Cc2ccc(F)cc2C1 ZINC001235833899 979163356 /nfs/dbraw/zinc/16/33/56/979163356.db2.gz UUJVRQRMFWSRAM-UHFFFAOYSA-N 2 0 208.280 1.880 20 0 BDADRP CC[C@@H]([NH3+])CN1CC[NH2+]C[C@H]1Cc1ccccc1 ZINC001235847846 979167570 /nfs/dbraw/zinc/16/75/70/979167570.db2.gz MOKRKDHOJIRRMQ-HUUCEWRRSA-N 2 0 247.386 1.240 20 0 BDADRP c1ccc([C@H]2C[N@H+](CCC3C[NH2+]C3)CCN2)cc1 ZINC001235860853 979173401 /nfs/dbraw/zinc/17/34/01/979173401.db2.gz XNVIXPTXJKKVKD-OAHLLOKOSA-N 2 0 245.370 1.242 20 0 BDADRP CC[C@H]([NH3+])CN1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001235857975 979174468 /nfs/dbraw/zinc/17/44/68/979174468.db2.gz BZGSMUOYLFFKNJ-UONOGXRCSA-N 2 0 233.359 1.370 20 0 BDADRP C(CN1CC2(C1)CCCC[NH2+]2)[C@H]1CCCC[NH2+]1 ZINC001235924695 979206016 /nfs/dbraw/zinc/20/60/16/979206016.db2.gz XCJMGPCMNDLSOU-CYBMUJFWSA-N 2 0 237.391 1.347 20 0 BDADRP CC1(CN2CC3(C2)CCCC[NH2+]3)CC[NH2+]CC1 ZINC001235922132 979207849 /nfs/dbraw/zinc/20/78/49/979207849.db2.gz CNQWWUJUUSZBMT-UHFFFAOYSA-N 2 0 237.391 1.204 20 0 BDADRP C(CN1C[C@H]2C[NH2+]CC[C@@H]2C1)[C@H]1CCCC[NH2+]1 ZINC001235929301 979215684 /nfs/dbraw/zinc/21/56/84/979215684.db2.gz KWNAZKGRRNWQNV-MGPQQGTHSA-N 2 0 237.391 1.060 20 0 BDADRP CCN(Cc1cccc(C[NH3+])c1)[C@H]1CC[NH2+]C1 ZINC001235972900 979238326 /nfs/dbraw/zinc/23/83/26/979238326.db2.gz AUQXDUQPTLDEMU-AWEZNQCLSA-N 2 0 233.359 1.329 20 0 BDADRP [NH3+][C@H](CN1C[C@@H]2CC[C@]2([NH3+])C1)c1ccccc1 ZINC001235980827 979257503 /nfs/dbraw/zinc/25/75/03/979257503.db2.gz RRMLBLOPGIXLSZ-MJBXVCDLSA-N 2 0 231.343 1.110 20 0 BDADRP [NH3+]CCCC[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC001235986118 979268715 /nfs/dbraw/zinc/26/87/15/979268715.db2.gz NULINPGWICZIIL-LBPRGKRZSA-N 2 0 212.337 1.228 20 0 BDADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC001341241519 979292146 /nfs/dbraw/zinc/29/21/46/979292146.db2.gz LEPLAJDPMHBIGU-STQMWFEESA-N 2 0 249.358 1.176 20 0 BDADRP CCN(Cc1ccc(C[NH3+])cc1)[C@H]1CCC[NH2+]C1 ZINC001236009445 979297363 /nfs/dbraw/zinc/29/73/63/979297363.db2.gz YZEUSVUPNDYBOH-HNNXBMFYSA-N 2 0 247.386 1.719 20 0 BDADRP C[C@H]1C[C@H]([NH3+])CN(Cc2cccc(C[NH3+])c2)C1 ZINC001236052284 979343501 /nfs/dbraw/zinc/34/35/01/979343501.db2.gz PXFDFQCTJFCMOU-FZMZJTMJSA-N 2 0 233.359 1.314 20 0 BDADRP CC1(CN2C[C@H]3CC[C@@H](C2)[NH2+]C3)CC[NH2+]CC1 ZINC001236058817 979349189 /nfs/dbraw/zinc/34/91/89/979349189.db2.gz CBSQMRIFSAYPEM-STQMWFEESA-N 3 0 237.391 1.060 20 0 BDADRP C[C@H]1CN(C[C@@H]([NH3+])c2ccccc2)[C@@H](C)C[NH2+]1 ZINC001236079785 979366607 /nfs/dbraw/zinc/36/66/07/979366607.db2.gz YHXLKVXBVNFJCM-SGMGOOAPSA-N 2 0 233.359 1.369 20 0 BDADRP CC[C@H]([NH3+])CN1CC[NH2+]C[C@@H]1c1cccs1 ZINC001236114552 979394970 /nfs/dbraw/zinc/39/49/70/979394970.db2.gz NBUXAYHVHVYQRA-WDEREUQCSA-N 2 0 239.388 1.432 20 0 BDADRP CCCC[C@H]1CN(C[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC001236135444 979401500 /nfs/dbraw/zinc/40/15/00/979401500.db2.gz OMFPFIDELVQVQA-QWHCGFSZSA-N 2 0 225.380 1.202 20 0 BDADRP CCCC[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001236134338 979402129 /nfs/dbraw/zinc/40/21/29/979402129.db2.gz ANSXMSYTPFCSNH-ZIAGYGMSSA-N 2 0 239.407 1.450 20 0 BDADRP CCCC[C@H]1CN(CC[NH2+]CC)CC[NH2+]1 ZINC001236134516 979402830 /nfs/dbraw/zinc/40/28/30/979402830.db2.gz DZNPTVIVAYXYMW-LBPRGKRZSA-N 2 0 213.369 1.060 20 0 BDADRP CCC[C@@H]1CNCC[N@@H+]1CC1(C)CC[NH2+]CC1 ZINC001236132191 979405668 /nfs/dbraw/zinc/40/56/68/979405668.db2.gz GUFJLMWLNFEUNG-CYBMUJFWSA-N 2 0 239.407 1.450 20 0 BDADRP CCC[C@H]1CN(C[C@@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001236177032 979433774 /nfs/dbraw/zinc/43/37/74/979433774.db2.gz RATVOMKYZGMCOP-STQMWFEESA-N 2 0 225.380 1.202 20 0 BDADRP CCC1([NH3+])CN(Cc2ccc(C[NH3+])cc2)C1 ZINC001236185695 979442678 /nfs/dbraw/zinc/44/26/78/979442678.db2.gz RDZZHLJHZHQYHD-UHFFFAOYSA-N 2 0 219.332 1.068 20 0 BDADRP CN(CC1CC[NH2+]CC1)[C@]1(C)CCC[NH2+]C1 ZINC001236199943 979445439 /nfs/dbraw/zinc/44/54/39/979445439.db2.gz GQTLEVYHBJDYKM-CYBMUJFWSA-N 2 0 225.380 1.060 20 0 BDADRP CN(CCCCC[NH3+])[C@@]1(C)CCC[NH2+]C1 ZINC001236201250 979450661 /nfs/dbraw/zinc/45/06/61/979450661.db2.gz LIEDPZIGCYUDOG-LBPRGKRZSA-N 2 0 213.369 1.189 20 0 BDADRP C[C@H]([NH3+])CN(Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001236269693 979481759 /nfs/dbraw/zinc/48/17/59/979481759.db2.gz NEALWTPNQNQZSX-DZGCQCFKSA-N 2 0 247.386 1.588 20 0 BDADRP C[C@H]([NH3+])CN(Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001236269735 979481862 /nfs/dbraw/zinc/48/18/62/979481862.db2.gz NEALWTPNQNQZSX-ZFWWWQNUSA-N 2 0 247.386 1.588 20 0 BDADRP CC[NH2+]CC(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC001341590968 979483068 /nfs/dbraw/zinc/48/30/68/979483068.db2.gz LCWALSJZADHULO-UHFFFAOYSA-N 2 0 235.331 1.428 20 0 BDADRP CC[C@@H](C)C[C@@H]([NH3+])C(=O)N1CCCC[C@H]1C[NH3+] ZINC001341594736 979484908 /nfs/dbraw/zinc/48/49/08/979484908.db2.gz ROHWDKYAIUTFCC-GRYCIOLGSA-N 2 0 241.379 1.090 20 0 BDADRP OCCC[N@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236287255 979489747 /nfs/dbraw/zinc/48/97/47/979489747.db2.gz QMKFVJFCYPGKFZ-UHFFFAOYSA-N 2 0 248.370 1.623 20 0 BDADRP CC[NH2+]CCN(C)CC[N@H+](C)Cc1ccccc1 ZINC001236309011 979514900 /nfs/dbraw/zinc/51/49/00/979514900.db2.gz ZTRYFYGNSAPTHL-UHFFFAOYSA-N 2 0 249.402 1.660 20 0 BDADRP C([C@@H]1CCCC[NH2+]1)[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314140 979523856 /nfs/dbraw/zinc/52/38/56/979523856.db2.gz HIYDIABESVXTMI-MJBXVCDLSA-N 3 0 237.391 1.060 20 0 BDADRP CCc1cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)on1 ZINC001236314502 979524723 /nfs/dbraw/zinc/52/47/23/979524723.db2.gz PDHQMRCMKYUQKQ-TXEJJXNPSA-N 2 0 249.358 1.668 20 0 BDADRP C([C@@H]1CCCO1)[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314135 979525492 /nfs/dbraw/zinc/52/54/92/979525492.db2.gz HCMHFYLQWNQATK-XQQFMLRXSA-N 2 0 224.348 1.097 20 0 BDADRP c1cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)ccn1 ZINC001236314671 979525547 /nfs/dbraw/zinc/52/55/47/979525547.db2.gz RSQCEMLZCYVSBH-OKILXGFUSA-N 2 0 231.343 1.513 20 0 BDADRP Cc1cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)nn1C ZINC001236315544 979527122 /nfs/dbraw/zinc/52/71/22/979527122.db2.gz KVOOWDUKEOWIGH-BETUJISGSA-N 2 0 248.374 1.160 20 0 BDADRP Fc1ccnc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236321882 979531669 /nfs/dbraw/zinc/53/16/69/979531669.db2.gz OPLGIZQFAHHBEQ-TXEJJXNPSA-N 2 0 249.333 1.652 20 0 BDADRP CCn1cncc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321315 979532392 /nfs/dbraw/zinc/53/23/92/979532392.db2.gz PURAZUBUXCZLMM-BETUJISGSA-N 2 0 248.374 1.334 20 0 BDADRP Nc1ncccc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320685 979534232 /nfs/dbraw/zinc/53/42/32/979534232.db2.gz AWXSIIOXWXJQAS-TXEJJXNPSA-N 2 0 246.358 1.095 20 0 BDADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)NC1(C)CC[NH2+]CC1 ZINC001341766313 979553001 /nfs/dbraw/zinc/55/30/01/979553001.db2.gz NOXHDGSLFHVKNN-WDEREUQCSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@@H]1[C@@H]([NH3+])CCCN1CC[C@H]1CCCC[NH2+]1 ZINC001236415647 979588117 /nfs/dbraw/zinc/58/81/17/979588117.db2.gz PFSXMXQDORBGNM-UPJWGTAASA-N 2 0 225.380 1.330 20 0 BDADRP C[C@H]1[C@H]([NH3+])CCCN1C[C@H]([NH3+])Cc1ccccc1 ZINC001236417027 979589456 /nfs/dbraw/zinc/58/94/56/979589456.db2.gz WKFXWHNNJINALW-NWANDNLSSA-N 2 0 247.386 1.368 20 0 BDADRP CC(C)(C)CN(C[C@@H]1CC[NH2+]1)C1CC[NH2+]CC1 ZINC001236457364 979599501 /nfs/dbraw/zinc/59/95/01/979599501.db2.gz KGFPIQVCYIZHOP-LBPRGKRZSA-N 2 0 239.407 1.448 20 0 BDADRP CC(C)CN(C[C@H]1CC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC001236474948 979602769 /nfs/dbraw/zinc/60/27/69/979602769.db2.gz TYVDPBDLNDSGIZ-CHWSQXEVSA-N 2 0 225.380 1.058 20 0 BDADRP CC(C)CN(C[C@@H]1CC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC001236474950 979604235 /nfs/dbraw/zinc/60/42/35/979604235.db2.gz TYVDPBDLNDSGIZ-QWHCGFSZSA-N 2 0 225.380 1.058 20 0 BDADRP CO[C@H](C)C[NH2+]CCC[N@H+](C)CC(C)C ZINC001182715403 979616356 /nfs/dbraw/zinc/61/63/56/979616356.db2.gz QVHXTLKPFBJBEC-GFCCVEGCSA-N 2 0 216.369 1.589 20 0 BDADRP C(CN(C1CC1)[C@@H]1CC[NH2+]C1)[C@@H]1CCCC[NH2+]1 ZINC001236530372 979621399 /nfs/dbraw/zinc/62/13/99/979621399.db2.gz QXFSVJVHNMOGAD-GXTWGEPZSA-N 2 0 237.391 1.345 20 0 BDADRP C[C@]1(C[NH3+])CCCC[N@H+](C[C@H]2CCCO2)C1 ZINC001206542136 979649403 /nfs/dbraw/zinc/64/94/03/979649403.db2.gz SETURLQEQVSHPP-CHWSQXEVSA-N 2 0 226.364 1.616 20 0 BDADRP C[C@H]1CN(Cc2cccc3c[nH+]cn32)C[C@H](C)[NH2+]1 ZINC001236580556 979659985 /nfs/dbraw/zinc/65/99/85/979659985.db2.gz FFNGQJHLWJGUIB-RYUDHWBXSA-N 2 0 244.342 1.517 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCC[C@@H](Oc2ccncc2)C1 ZINC001236615915 979682335 /nfs/dbraw/zinc/68/23/35/979682335.db2.gz KSPYCHYKVFVPND-CQSZACIVSA-N 2 0 249.358 1.664 20 0 BDADRP CC(C)(C)C[N@H+](CCCO)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236766754 979721197 /nfs/dbraw/zinc/72/11/97/979721197.db2.gz CLXHJBKVYMTOAO-JOCQHMNTSA-N 2 0 242.407 1.987 20 0 BDADRP C[N@@H+]1CCC[C@H](CN2CCC[C@@](C)([NH3+])CC2)C1 ZINC001205254868 979730196 /nfs/dbraw/zinc/73/01/96/979730196.db2.gz CYEKORMZQNZYEX-UONOGXRCSA-N 2 0 239.407 1.532 20 0 BDADRP CC[C@H]([NH3+])CN(C)CCC[NH2+]C1CCCCC1 ZINC001236859067 979765472 /nfs/dbraw/zinc/76/54/72/979765472.db2.gz HJSCVJOVKJXGEQ-ZDUSSCGKSA-N 2 0 241.423 1.968 20 0 BDADRP CC[C@@H]([NH3+])CN1CC[NH2+]C2=CCCC[C@H]21 ZINC001237218172 979849761 /nfs/dbraw/zinc/84/97/61/979849761.db2.gz FWOIWOCVZSOVOF-ZYHUDNBSSA-N 2 0 209.337 1.065 20 0 BDADRP C[NH2+]CCN1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001237357903 979873699 /nfs/dbraw/zinc/87/36/99/979873699.db2.gz BACWGAVPWKEPPG-UHFFFAOYSA-N 2 0 245.370 1.300 20 0 BDADRP O=c1[nH]cccc1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237380029 979878590 /nfs/dbraw/zinc/87/85/90/979878590.db2.gz DXUQFHAINTXCJC-YPMHNXCESA-N 2 0 247.342 1.361 20 0 BDADRP COc1ccc(CN2CCC[C@](C)([NH3+])CC2)nc1 ZINC001205281043 979882081 /nfs/dbraw/zinc/88/20/81/979882081.db2.gz OOGWVEYWGORALL-AWEZNQCLSA-N 2 0 249.358 1.794 20 0 BDADRP CS[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1C[NH+]2CCC1CC2 ZINC001184134903 979945479 /nfs/dbraw/zinc/94/54/79/979945479.db2.gz JUJRUXGFBWUXQO-FRRDWIJNSA-N 2 0 240.416 1.812 20 0 BDADRP CC(C)CC[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001184387968 980057808 /nfs/dbraw/zinc/05/78/08/980057808.db2.gz OCCXOEJXKHLHGN-RWMBFGLXSA-N 2 0 210.365 1.962 20 0 BDADRP CC[N@H+](CCOC)Cc1cccc2c[nH+]cn21 ZINC001238102359 980151747 /nfs/dbraw/zinc/15/17/47/980151747.db2.gz BNTOIYMKWUMJPV-UHFFFAOYSA-N 2 0 233.315 1.803 20 0 BDADRP C[N@@H+](Cc1cccc2c[nH+]cn21)CC1COC1 ZINC001238112285 980159453 /nfs/dbraw/zinc/15/94/53/980159453.db2.gz BCWPFFHIJVPITQ-UHFFFAOYSA-N 2 0 231.299 1.413 20 0 BDADRP CN(Cc1cccc2c[nH+]cn21)[C@H]1CC[N@H+](C)C1 ZINC001238114753 980162027 /nfs/dbraw/zinc/16/20/27/980162027.db2.gz VTLNQNBBOXXFFA-ZDUSSCGKSA-N 2 0 244.342 1.470 20 0 BDADRP c1ncn2c1cccc2C[N@@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001238117845 980165627 /nfs/dbraw/zinc/16/56/27/980165627.db2.gz DIAQFEGMEBNRPF-SMDDNHRTSA-N 2 0 243.310 1.555 20 0 BDADRP C[NH+](C)Cc1cncc(C2=CCC[NH2+]CC2)c1 ZINC001238948458 980387744 /nfs/dbraw/zinc/38/77/44/980387744.db2.gz VZYJKZBQFNUMST-UHFFFAOYSA-N 2 0 231.343 1.910 20 0 BDADRP CC[NH+]1CCC(NCC[C@H](C)[NH2+]C)CC1 ZINC001345469410 980615066 /nfs/dbraw/zinc/61/50/66/980615066.db2.gz GUOHZOVLUNPXED-NSHDSACASA-N 2 0 213.369 1.058 20 0 BDADRP Nc1cc[nH+]cc1-c1cncc(C[NH3+])c1 ZINC001239799187 980938273 /nfs/dbraw/zinc/93/82/73/980938273.db2.gz ORIBBLZWAYLCHI-UHFFFAOYSA-N 2 0 200.245 1.015 20 0 BDADRP CCC[NH2+]CCN(CC)C(=O)[C@H](CC)[NH+](C)C ZINC001273609671 980939232 /nfs/dbraw/zinc/93/92/32/980939232.db2.gz CCHFCSLZQFNEGR-LBPRGKRZSA-N 2 0 243.395 1.175 20 0 BDADRP [NH3+]Cc1cncc(-c2cccc(C[NH3+])c2F)c1 ZINC001239804165 980941439 /nfs/dbraw/zinc/94/14/39/980941439.db2.gz NIWPCPRGJLVVGT-UHFFFAOYSA-N 2 0 231.274 1.805 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2cnoc2)CC[C@@H]1C[NH3+] ZINC001205601663 981161258 /nfs/dbraw/zinc/16/12/58/981161258.db2.gz FTJHRIKTYKAFTL-ZYHUDNBSSA-N 2 0 223.320 1.481 20 0 BDADRP C[C@H]1CC[N@H+](Cc2cnoc2)CC[C@H]1C[NH3+] ZINC001205601659 981162375 /nfs/dbraw/zinc/16/23/75/981162375.db2.gz FTJHRIKTYKAFTL-JQWIXIFHSA-N 2 0 223.320 1.481 20 0 BDADRP C[C@H]1C[C@H]1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205602414 981164856 /nfs/dbraw/zinc/16/48/56/981164856.db2.gz IWQZNPYRBHTPAE-VOAKCMCISA-N 2 0 210.365 1.949 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2cnn(C)c2)CC[C@@H]1C[NH3+] ZINC001205603542 981174237 /nfs/dbraw/zinc/17/42/37/981174237.db2.gz PZVIIMAQOTVHTH-DGCLKSJQSA-N 2 0 236.363 1.227 20 0 BDADRP CC[C@H](C[NH+]1CCCC1)Nc1nccnc1C[NH3+] ZINC001348000219 981242632 /nfs/dbraw/zinc/24/26/32/981242632.db2.gz ILHVRHBFKZVUNI-LLVKDONJSA-N 2 0 249.362 1.222 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)C[NH2+]CC(C)C)c1 ZINC001349420291 981550520 /nfs/dbraw/zinc/55/05/20/981550520.db2.gz IKXCOAHDWSQQBJ-UHFFFAOYSA-N 2 0 249.358 1.638 20 0 BDADRP OC1(C[N@@H+](Cc2ccccc2)CC2CC2)CNC1 ZINC001580878470 981672995 /nfs/dbraw/zinc/67/29/95/981672995.db2.gz PKWNHZPXRVFIMP-UHFFFAOYSA-N 2 0 246.354 1.233 20 0 BDADRP O[C@H]1C[NH2+]CC[C@@H]1[NH2+]CC1CCCCCC1 ZINC001580879969 981676853 /nfs/dbraw/zinc/67/68/53/981676853.db2.gz IHAMAGJFTFBQOG-STQMWFEESA-N 2 0 226.364 1.269 20 0 BDADRP Cc1ccccc1C[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205664111 981807270 /nfs/dbraw/zinc/80/72/70/981807270.db2.gz LTLGQLJHEJQSGS-HNNXBMFYSA-N 2 0 248.370 1.671 20 0 BDADRP Cc1ccccc1C[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205664112 981807959 /nfs/dbraw/zinc/80/79/59/981807959.db2.gz LTLGQLJHEJQSGS-OAHLLOKOSA-N 2 0 248.370 1.671 20 0 BDADRP C[C@H]([NH3+])c1ccc(C=C2CC[NH2+]CC2)cn1 ZINC001240879112 981935817 /nfs/dbraw/zinc/93/58/17/981935817.db2.gz KDIFPMOSRXEBDF-JTQLQIEISA-N 2 0 217.316 1.868 20 0 BDADRP CC1CC([NH2+]CCCCCN2CC[NH2+]CC2)C1 ZINC001350956162 982126171 /nfs/dbraw/zinc/12/61/71/982126171.db2.gz MFOAEKZDYQVVTP-UHFFFAOYSA-N 2 0 239.407 1.450 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@@H]([NH2+]2)[C@H]1C)C1CC1 ZINC001350955206 982133394 /nfs/dbraw/zinc/13/33/94/982133394.db2.gz HTXJJOBSCDUJHF-FWEIOOQHSA-N 2 0 208.349 1.904 20 0 BDADRP OCc1c[nH+]ccc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001351950554 982413221 /nfs/dbraw/zinc/41/32/21/982413221.db2.gz PXIDVAWNEGGDQF-OLZOCXBDSA-N 2 0 247.342 1.035 20 0 BDADRP COCCOC[C@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC001352010954 982433526 /nfs/dbraw/zinc/43/35/26/982433526.db2.gz DYIFLLFPOUSNCY-ZDUSSCGKSA-N 2 0 244.379 1.113 20 0 BDADRP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2CCO)CC1 ZINC001196934827 982502945 /nfs/dbraw/zinc/50/29/45/982502945.db2.gz FBYMQWJOYVTLIJ-AWEZNQCLSA-N 2 0 240.391 1.565 20 0 BDADRP C[C@@H]1CC[C@H](C[NH3+])N(CC[C@H]2CCCC[NH2+]2)C1 ZINC001205803636 982559869 /nfs/dbraw/zinc/55/98/69/982559869.db2.gz IHYPQANCVFZDID-MGPQQGTHSA-N 2 0 239.407 1.578 20 0 BDADRP Cc1c(N)ccnc1C1=C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001242020144 983228681 /nfs/dbraw/zinc/22/86/81/983228681.db2.gz GQTQXFZYZUOFAY-MNOVXSKESA-N 2 0 215.300 1.880 20 0 BDADRP Cc1cc(N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)nc(N)[nH+]1 ZINC001354393914 983298824 /nfs/dbraw/zinc/29/88/24/983298824.db2.gz DCBQEIRGAURPRI-GMTAPVOTSA-N 2 0 247.346 1.119 20 0 BDADRP CC[N@@H+]1CCC[C@]2(C1)COCCN(C(C)C)C2 ZINC001201576510 983342740 /nfs/dbraw/zinc/34/27/40/983342740.db2.gz ZDUQWHXJTJUGIY-CQSZACIVSA-N 2 0 240.391 1.829 20 0 BDADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3cc[nH]n3)C[C@H]2C1 ZINC001355374933 983480753 /nfs/dbraw/zinc/48/07/53/983480753.db2.gz WCNKMRYJLALQRJ-YRGRVCCFSA-N 2 0 248.374 1.572 20 0 BDADRP CC(C)[NH+]1CCC(N2CC([NH+](C)C)C2)CC1 ZINC000149608722 983950406 /nfs/dbraw/zinc/95/04/06/983950406.db2.gz GKRVPBOCXXLRJB-UHFFFAOYSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC=CO1)C1CC[NH+](C)CC1 ZINC000379966443 984064671 /nfs/dbraw/zinc/06/46/71/984064671.db2.gz HRVXNLLZCGOQSJ-JSGCOSHPSA-N 2 0 238.375 1.999 20 0 BDADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@H](C)CC[NH+](C)C ZINC001575541567 984127168 /nfs/dbraw/zinc/12/71/68/984127168.db2.gz WJGAAJIBTVTQRD-VXGBXAGGSA-N 2 0 243.395 1.064 20 0 BDADRP C[C@@]1([NH2+]CCC[NH2+]C2CC2)CCO[C@H]1C1CC1 ZINC001576545532 984174016 /nfs/dbraw/zinc/17/40/16/984174016.db2.gz NNDSSCFCROUGJL-UONOGXRCSA-N 2 0 238.375 1.676 20 0 BDADRP COC(=O)/C(C)=C/C[N@H+](C)CC1CC[NH2+]CC1 ZINC001578768638 984223424 /nfs/dbraw/zinc/22/34/24/984223424.db2.gz GDUMMJBTMYDOET-IZZDOVSWSA-N 2 0 240.347 1.037 20 0 BDADRP COC(=O)C[C@@H]1C[N@H+](CC(C)(C)C[NH3+])C[C@H]1C ZINC001578815364 984229897 /nfs/dbraw/zinc/22/98/97/984229897.db2.gz QOOCDXLANKIGIR-GHMZBOCLSA-N 2 0 242.363 1.102 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+]C(C)(C)COC(C)C ZINC001579001870 984251233 /nfs/dbraw/zinc/25/12/33/984251233.db2.gz MRGVUQFWHXQIFH-NSHDSACASA-N 2 0 232.368 1.143 20 0 BDADRP C[C@H]1[C@@H](O)CC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC001579508118 984284401 /nfs/dbraw/zinc/28/44/01/984284401.db2.gz SSJWCMITDZFRRM-NHYWBVRUSA-N 2 0 246.354 1.287 20 0 BDADRP C(C1CC[NH2+]CC1)[N@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC000718183855 984405751 /nfs/dbraw/zinc/40/57/51/984405751.db2.gz IGFKQMHHULBIAO-LVEBTZEWSA-N 2 0 236.359 1.095 20 0 BDADRP CC[C@H](C)C[NH+]1CC2(CCN2CC[NH+](C)C)C1 ZINC001275064473 984462319 /nfs/dbraw/zinc/46/23/19/984462319.db2.gz HKQNGYHWDYDPNQ-ZDUSSCGKSA-N 2 0 239.407 1.354 20 0 BDADRP CCCC[NH+]1CC2(C1)CCN(CC[NH+](C)C)C2 ZINC001275118345 984491692 /nfs/dbraw/zinc/49/16/92/984491692.db2.gz XMAAOZFJROVPDV-UHFFFAOYSA-N 2 0 239.407 1.356 20 0 BDADRP C[N@@H+]1CCCC2(CC[NH+](Cc3cn[nH]c3)CC2)C1 ZINC001275210969 984519972 /nfs/dbraw/zinc/51/99/72/984519972.db2.gz HXZFVQHOZYDHDN-UHFFFAOYSA-N 2 0 248.374 1.718 20 0 BDADRP C[NH+](C)Cc1ccc(C2=CC[NH2+]C2)nc1 ZINC001243110076 984564419 /nfs/dbraw/zinc/56/44/19/984564419.db2.gz WTCSXENQEKXRLJ-UHFFFAOYSA-N 2 0 203.289 1.130 20 0 BDADRP CC[NH+](CC)Cc1ccncc1C1=CC[NH2+]C1 ZINC001243114838 984584592 /nfs/dbraw/zinc/58/45/92/984584592.db2.gz GFZGCCJKUUSMKY-UHFFFAOYSA-N 2 0 231.343 1.910 20 0 BDADRP OCc1ccc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001580884529 984616124 /nfs/dbraw/zinc/61/61/24/984616124.db2.gz GMCMCBLEAQGRID-CABCVRRESA-N 2 0 246.354 1.220 20 0 BDADRP C[N@H+]1CC[C@H]2C[NH+](Cc3cccnn3)C[C@H]2CC1 ZINC001275875533 984715633 /nfs/dbraw/zinc/71/56/33/984715633.db2.gz XLKXCORBYBWVCZ-BETUJISGSA-N 2 0 246.358 1.250 20 0 BDADRP CC[NH+]1CCC(CN(C)C[C@H]2CC[NH2+]2)CC1 ZINC001577763455 984727923 /nfs/dbraw/zinc/72/79/23/984727923.db2.gz BQZLHMPUPMDGFK-CYBMUJFWSA-N 2 0 225.380 1.012 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H]2C[NH2+]CC2(C)C)CC1 ZINC001577763888 984730757 /nfs/dbraw/zinc/73/07/57/984730757.db2.gz LUSFEPPCOMPJDF-CYBMUJFWSA-N 2 0 239.407 1.306 20 0 BDADRP CCN1CCC[C@@H]([NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC001577770428 984774544 /nfs/dbraw/zinc/77/45/44/984774544.db2.gz IFYMQIYHLKXNDF-MGPQQGTHSA-N 2 0 239.407 1.306 20 0 BDADRP CC[N@@H+]1CCC[C@H](NCC2([NH3+])CCCC2)C1 ZINC001577770979 984784043 /nfs/dbraw/zinc/78/40/43/984784043.db2.gz QTFLOYCWEHYBGC-LBPRGKRZSA-N 2 0 225.380 1.332 20 0 BDADRP CC[NH2+][C@@H](C)C(=O)NCc1c[nH]c(C(C)C)n1 ZINC001577807025 984800812 /nfs/dbraw/zinc/80/08/12/984800812.db2.gz MWSVBDNGIRETNJ-VIFPVBQESA-N 2 0 238.335 1.147 20 0 BDADRP CCOC(=O)[C@H]1CC[N@H+](C[C@@H](C[NH3+])C(C)C)C1 ZINC001577936061 984822104 /nfs/dbraw/zinc/82/21/04/984822104.db2.gz NAPBDPUWCGFPQO-NWDGAFQWSA-N 2 0 242.363 1.102 20 0 BDADRP CCOC(=O)CCC[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC001577945407 984827233 /nfs/dbraw/zinc/82/72/33/984827233.db2.gz IBLMALNWDNQPNF-NSHDSACASA-N 2 0 228.336 1.000 20 0 BDADRP CCOC(=O)CC[N@H+](CC1(C[NH3+])CC1)C1CC1 ZINC001577948495 984827567 /nfs/dbraw/zinc/82/75/67/984827567.db2.gz GGEIDUULNFLULT-UHFFFAOYSA-N 2 0 240.347 1.143 20 0 BDADRP C[N@@H+]1CCC2(C1)CC[NH+](Cc1cnoc1)CC2 ZINC001276249940 984835904 /nfs/dbraw/zinc/83/59/04/984835904.db2.gz DXRVFXQCDJCKCR-UHFFFAOYSA-N 2 0 235.331 1.592 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]([NH3+])C2)C12CCC2 ZINC001578093273 984844169 /nfs/dbraw/zinc/84/41/69/984844169.db2.gz GORUZEDORXTPCM-FIQHERPVSA-N 2 0 224.348 1.413 20 0 BDADRP CCOC1CC([N@H+](C)C[C@H](C[NH3+])C(C)C)C1 ZINC001578088014 984845957 /nfs/dbraw/zinc/84/59/57/984845957.db2.gz XWAJKSZGSPYVEV-HIFPTAJRSA-N 2 0 228.380 1.717 20 0 BDADRP CCO[C@@H]1COCC[C@H]1[NH2+]CCCCCC[NH3+] ZINC001578100328 984851367 /nfs/dbraw/zinc/85/13/67/984851367.db2.gz REDHUERWPAVZLG-CHWSQXEVSA-N 2 0 244.379 1.289 20 0 BDADRP C[C@@H]1C[C@@H]([N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C[C@H](C)O1 ZINC001257100972 984853683 /nfs/dbraw/zinc/85/36/83/984853683.db2.gz YTWXBOQDPOSQSZ-RVOPOGNISA-N 2 0 238.375 1.436 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C2C[NH2+]C2)[C@@H]1SC ZINC001578158474 984857012 /nfs/dbraw/zinc/85/70/12/984857012.db2.gz CYJHBWCQVVXFAK-HKWIRBFKSA-N 2 0 244.404 1.093 20 0 BDADRP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C1C[NH2+]C1 ZINC001578151666 984857614 /nfs/dbraw/zinc/85/76/14/984857614.db2.gz ZFDAILGJDIBXPZ-MVWJERBFSA-N 2 0 212.337 1.142 20 0 BDADRP CC[C@H]1[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCCOC1 ZINC001578241855 984896347 /nfs/dbraw/zinc/89/63/47/984896347.db2.gz ORJQQBLUYDDANE-UTUOFQBUSA-N 2 0 212.337 1.143 20 0 BDADRP CC[C@H](C)[NH2+]C[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+] ZINC001257432995 985005964 /nfs/dbraw/zinc/00/59/64/985005964.db2.gz JISHVHWGBLEQEZ-QCNOEVLYSA-N 2 0 230.352 1.099 20 0 BDADRP C[N@H+](C[C@@H](O)C1CC1)C[C@H]1CCC[NH+](C)C1 ZINC000685985631 985024809 /nfs/dbraw/zinc/02/48/09/985024809.db2.gz WRGWHNMSGLRMIH-WCQYABFASA-N 2 0 226.364 1.031 20 0 BDADRP C[NH+](C)Cc1ccccc1NC(=O)[C@H]1C[C@H]1[NH3+] ZINC001578420972 985058148 /nfs/dbraw/zinc/05/81/48/985058148.db2.gz IJDLRECPUKOEJR-WDEREUQCSA-N 2 0 233.315 1.034 20 0 BDADRP CN(C)c1cccc(CN2CC[C@@](C)(C[NH3+])C2)n1 ZINC001578427265 985060053 /nfs/dbraw/zinc/06/00/53/985060053.db2.gz OIFYHOXATBADER-AWEZNQCLSA-N 2 0 248.374 1.318 20 0 BDADRP C[N@H+](C[C@@]1(C)CCCCO1)C1CC[NH2+]CC1 ZINC001578445162 985079110 /nfs/dbraw/zinc/07/91/10/985079110.db2.gz IELRJQLVWRJNSH-CYBMUJFWSA-N 2 0 226.364 1.629 20 0 BDADRP C[N@@H+](C[C@H]1CCC[C@H]1O)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578453284 985090497 /nfs/dbraw/zinc/09/04/97/985090497.db2.gz ZOBTWFTWCVSKHD-UMSGYPCISA-N 2 0 226.364 1.207 20 0 BDADRP C[N@H+](CCCc1cccnc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578468793 985097032 /nfs/dbraw/zinc/09/70/32/985097032.db2.gz MVCGOLOAGVKVDV-WDNDVIMCSA-N 2 0 231.343 1.164 20 0 BDADRP C[N@H+](CCC[NH3+])CCCCCn1cccn1 ZINC001578466714 985099753 /nfs/dbraw/zinc/09/97/53/985099753.db2.gz RQRNQHUIILBTMP-UHFFFAOYSA-N 2 0 224.352 1.334 20 0 BDADRP CN(CC[N@H+](C)C1CC1)C[C@H]1CC(F)(F)C[NH2+]1 ZINC001578470162 985107381 /nfs/dbraw/zinc/10/73/81/985107381.db2.gz QXDXOGVSQBOOBS-SNVBAGLBSA-N 2 0 247.333 1.010 20 0 BDADRP CN1CCC([NH2+]C[C@H]2CCC[NH2+]CC2)CC1 ZINC001578524657 985149048 /nfs/dbraw/zinc/14/90/48/985149048.db2.gz GZZRKKBDUXRULN-LBPRGKRZSA-N 2 0 225.380 1.060 20 0 BDADRP C[N@@H+]1CCC[C@H]1CCN[C@@H]1CCCC[C@H]1[NH3+] ZINC001578529065 985158437 /nfs/dbraw/zinc/15/84/37/985158437.db2.gz PTKPESGFPPXQPX-YNEHKIRRSA-N 2 0 225.380 1.330 20 0 BDADRP C[N@@H+]1CCCC[C@H]1CNCC1(C[NH3+])CCC1 ZINC001578529648 985158756 /nfs/dbraw/zinc/15/87/56/985158756.db2.gz WPCQIIKXEUSPOB-LBPRGKRZSA-N 2 0 225.380 1.189 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CCN[C@H]1CC[NH2+]C12CCC2 ZINC001578528719 985158911 /nfs/dbraw/zinc/15/89/11/985158911.db2.gz KOKLTRBQLWACQW-OLZOCXBDSA-N 2 0 237.391 1.345 20 0 BDADRP CN1Cc2ccccc2[C@@H]1C[NH2+]C1CC([NH3+])C1 ZINC001578543632 985187715 /nfs/dbraw/zinc/18/77/15/985187715.db2.gz ODTRIQIBOOPENM-YIZWMMSDSA-N 2 0 231.343 1.252 20 0 BDADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC001578622342 985237909 /nfs/dbraw/zinc/23/79/09/985237909.db2.gz SCGWUHOIHVAJQI-AAEUAGOBSA-N 2 0 228.380 1.325 20 0 BDADRP CO[C@H]1CC[C@H](C)[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000687191483 985253793 /nfs/dbraw/zinc/25/37/93/985253793.db2.gz BGWIHCSNOZIPHW-VOAKCMCISA-N 2 0 226.364 1.341 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@H+](CC[C@@H](O)C(C)C)C1 ZINC001578656330 985277276 /nfs/dbraw/zinc/27/72/76/985277276.db2.gz IWBYACLFZIWTDK-CHWSQXEVSA-N 2 0 228.380 1.325 20 0 BDADRP C[NH2+]CCC[N@H+](C)C[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001578687530 985298561 /nfs/dbraw/zinc/29/85/61/985298561.db2.gz WKMMVLCTPAGETR-WCQYABFASA-N 2 0 236.363 1.065 20 0 BDADRP C[NH2+]CCN(C(=O)[C@@H](C)CC[NH+](C)C)C(C)C ZINC001578699272 985303320 /nfs/dbraw/zinc/30/33/20/985303320.db2.gz YULHZMHOXJJRKR-LBPRGKRZSA-N 2 0 243.395 1.031 20 0 BDADRP COC(=O)C(C)(C)CC[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC001578766161 985330247 /nfs/dbraw/zinc/33/02/47/985330247.db2.gz ANDFSFRWZUATLA-ZJUUUORDSA-N 2 0 242.363 1.291 20 0 BDADRP COC(=O)C1(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC001578781341 985349859 /nfs/dbraw/zinc/34/98/59/985349859.db2.gz OFHBKLGPBPAZIL-LLVKDONJSA-N 2 0 242.363 1.245 20 0 BDADRP COC(=O)[C@@H]1CC[N@H+](CCC[NH2+]C2CC2)[C@@H]1C ZINC001578790515 985362808 /nfs/dbraw/zinc/36/28/08/985362808.db2.gz YDFVBOIREWDCPM-ZYHUDNBSSA-N 2 0 240.347 1.012 20 0 BDADRP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C[C@@H](C)[NH3+] ZINC001578795640 985365573 /nfs/dbraw/zinc/36/55/73/985365573.db2.gz BBNHADSNUWXBMP-ZJUUUORDSA-N 2 0 230.352 1.291 20 0 BDADRP COC(C)(C)CC[NH2+]C[C@@H]([NH3+])CC(F)F ZINC001578892760 985463837 /nfs/dbraw/zinc/46/38/37/985463837.db2.gz HKRYADDYZQOTCQ-QMMMGPOBSA-N 2 0 224.295 1.374 20 0 BDADRP COC(C)(C)[C@H](C)[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001578892619 985460939 /nfs/dbraw/zinc/46/09/39/985460939.db2.gz AOKPUDAFIDGDHJ-ZSWLNHAKSA-N 2 0 212.337 1.269 20 0 BDADRP CO[C@@H]([C@H](C)[NH2+]C1CC2(C[C@H]2[NH3+])C1)C1CC1 ZINC001578902293 985484668 /nfs/dbraw/zinc/48/46/68/985484668.db2.gz ZATKMNWJPZTFPI-AVUOOQRHSA-N 2 0 224.348 1.269 20 0 BDADRP C[C@@H]([NH2+][C@H]1COC[C@H]1C)C1CC[NH+](C)CC1 ZINC000688030687 985508431 /nfs/dbraw/zinc/50/84/31/985508431.db2.gz SLVPBKBEORYIND-WZRBSPASSA-N 2 0 226.364 1.341 20 0 BDADRP CO[C@@H](C[NH2+][C@@H](C)CC[NH3+])CC(C)C ZINC001578912888 985515280 /nfs/dbraw/zinc/51/52/80/985515280.db2.gz OIILNVCVCVRNLN-WDEREUQCSA-N 2 0 202.342 1.374 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H]2COC[C@H]2C)CC1 ZINC000688048757 985534315 /nfs/dbraw/zinc/53/43/15/985534315.db2.gz OOEAZZHIVGTTCC-YPMHNXCESA-N 2 0 226.364 1.485 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+][C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001578936459 985540174 /nfs/dbraw/zinc/54/01/74/985540174.db2.gz DIMCNVRSPQIPFT-WYUUTHIRSA-N 2 0 212.337 1.413 20 0 BDADRP C(=C/C1CC[NH2+]CC1)\c1nccc(C2C[NH2+]C2)n1 ZINC001243894296 985574316 /nfs/dbraw/zinc/57/43/16/985574316.db2.gz LQGAVDJKJOUAGD-OWOJBTEDSA-N 2 0 244.342 1.176 20 0 BDADRP COC[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]C1)C(C)C ZINC001578970376 985576494 /nfs/dbraw/zinc/57/64/94/985576494.db2.gz TXFYBUFSPPLSTP-CHWSQXEVSA-N 2 0 228.380 1.637 20 0 BDADRP COC[C@@H](C)C[NH2+]C[C@H]1CCC[NH2+]CC1 ZINC001578957493 985582262 /nfs/dbraw/zinc/58/22/62/985582262.db2.gz OUSXCSKFGVMHBW-RYUDHWBXSA-N 2 0 214.353 1.248 20 0 BDADRP COCC[C@@H](C)C[NH2+]CC1(C[NH3+])CCC1 ZINC001578994300 985619882 /nfs/dbraw/zinc/61/98/82/985619882.db2.gz FCKFWJLWBLTVQJ-LLVKDONJSA-N 2 0 214.353 1.378 20 0 BDADRP COC[C@H](C[NH2+]C1CC2(C[C@H]2[NH3+])C1)C(C)C ZINC001578961373 985588391 /nfs/dbraw/zinc/58/83/91/985588391.db2.gz IZIGYNIQIWEGBV-GMKTYKIGSA-N 2 0 226.364 1.374 20 0 BDADRP COCC1CCC([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC001578987158 985611046 /nfs/dbraw/zinc/61/10/46/985611046.db2.gz WDHRDLZBKALKCC-YIFLHPOLSA-N 2 0 240.391 1.909 20 0 BDADRP COCC1CCC([NH2+][C@H]2C[C@H]([NH3+])C2)CC1 ZINC001578986788 985611439 /nfs/dbraw/zinc/61/14/39/985611439.db2.gz PMTDFQBNVIKQMY-ANRVXECHSA-N 2 0 212.337 1.271 20 0 BDADRP COCC[C@@H](C)[NH2+]CCC1(C[NH3+])CC1 ZINC001578994598 985620978 /nfs/dbraw/zinc/62/09/78/985620978.db2.gz IROZGZVYFLTNKU-SNVBAGLBSA-N 2 0 200.326 1.130 20 0 BDADRP COCC[C@H](C)[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578995747 985630290 /nfs/dbraw/zinc/63/02/90/985630290.db2.gz VXZXKFKRRISLPC-GARJFASQSA-N 2 0 200.326 1.128 20 0 BDADRP C[NH+](C)C[C@H]1CCN(C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000688478807 985654639 /nfs/dbraw/zinc/65/46/39/985654639.db2.gz BMDVIBCUHIERJH-KGLIPLIRSA-N 2 0 239.407 1.260 20 0 BDADRP COCC[C@@H]([NH3+])C[NH2+][C@H](C)CCSC ZINC001579001704 985654908 /nfs/dbraw/zinc/65/49/08/985654908.db2.gz LEAIPUXXFRBAFT-NXEZZACHSA-N 2 0 220.382 1.081 20 0 BDADRP COCC[C@@H]([NH3+])C[NH2+][C@@H](C)CCSC ZINC001579001707 985656808 /nfs/dbraw/zinc/65/68/08/985656808.db2.gz LEAIPUXXFRBAFT-VHSXEESVSA-N 2 0 220.382 1.081 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+]C[C@@H](C)c1ccccn1 ZINC001579003059 985664719 /nfs/dbraw/zinc/66/47/19/985664719.db2.gz XISIKYNTZVQJFC-NEPJUHHUSA-N 2 0 237.347 1.139 20 0 BDADRP COCCSCCC[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC001579073032 985691330 /nfs/dbraw/zinc/69/13/30/985691330.db2.gz MICOBFMQAWZBBF-NSHDSACASA-N 2 0 232.393 1.037 20 0 BDADRP COc1cc(C[C@@H](C)[NH2+][C@H]2C[C@@H]([NH3+])C2)ccn1 ZINC001579146941 985811238 /nfs/dbraw/zinc/81/12/38/985811238.db2.gz WIFTXYGGRXKQCU-JLLWLGSASA-N 2 0 235.331 1.101 20 0 BDADRP CC[C@@](C)(O)C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001460609875 985869236 /nfs/dbraw/zinc/86/92/36/985869236.db2.gz ZVWLHKVHHRVYOU-FRRDWIJNSA-N 2 0 226.364 1.031 20 0 BDADRP C[C@@H]1CCC[N@H+](C[C@H]2CCCC[NH2+]C2)[C@@H]1CO ZINC001579423261 985900690 /nfs/dbraw/zinc/90/06/90/985900690.db2.gz WTDXRROEUJHOPC-HZSPNIEDSA-N 2 0 240.391 1.469 20 0 BDADRP COCCCC[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001460864759 985919957 /nfs/dbraw/zinc/91/99/57/985919957.db2.gz ROSFBMQIGDHSGD-OLZOCXBDSA-N 2 0 226.364 1.297 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H]1C(C)(C)O ZINC001579454621 985942715 /nfs/dbraw/zinc/94/27/15/985942715.db2.gz PDFNKLJJPQBQRG-WOPDTQHZSA-N 2 0 226.364 1.077 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCCOCC1 ZINC001579459668 985946485 /nfs/dbraw/zinc/94/64/85/985946485.db2.gz OXVOFSSRTKHXET-WOPDTQHZSA-N 2 0 212.337 1.001 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001579454731 985948928 /nfs/dbraw/zinc/94/89/28/985948928.db2.gz YNIHFIVCFKDTDJ-ZOBORPQBSA-N 2 0 238.375 1.343 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@](C)(CO)c1ccccc1 ZINC001579459544 985949098 /nfs/dbraw/zinc/94/90/98/985949098.db2.gz HEADPOTUHXYFSC-VNHYZAJKSA-N 2 0 248.370 1.339 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCCOCC1 ZINC001579459667 985951545 /nfs/dbraw/zinc/95/15/45/985951545.db2.gz OXVOFSSRTKHXET-GRYCIOLGSA-N 2 0 212.337 1.001 20 0 BDADRP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]C1CCN(CC[NH3+])CC1 ZINC001579470822 985970990 /nfs/dbraw/zinc/97/09/90/985970990.db2.gz HHBCHLJJYLKHRB-RUZUBIRVSA-N 2 0 237.391 1.044 20 0 BDADRP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]C[C@]12C[C@H]1C[NH2+]C2 ZINC001579470773 985976987 /nfs/dbraw/zinc/97/69/87/985976987.db2.gz DHGRRWQZLSJZJT-HDLKOFKZSA-N 2 0 206.333 1.230 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[NH2+]C2(C)C)C[C@H](C)O1 ZINC001579492579 986015219 /nfs/dbraw/zinc/01/52/19/986015219.db2.gz MLQKMMLZZVZWNN-MROQNXINSA-N 2 0 240.391 1.920 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@H](C)O1 ZINC001579492789 986025631 /nfs/dbraw/zinc/02/56/31/986025631.db2.gz YTSUNUURBLCYJN-ALUZDYTJSA-N 2 0 238.375 1.340 20 0 BDADRP CC[C@@H](C)C[C@H](CC)[N@H+](CCN)CCO ZINC001258778866 986166322 /nfs/dbraw/zinc/16/63/22/986166322.db2.gz MUBFVERDSLZQSC-NEPJUHHUSA-N 2 0 216.369 1.454 20 0 BDADRP Cc1nccnc1[C@@H](C)[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001579882583 986300420 /nfs/dbraw/zinc/30/04/20/986300420.db2.gz AQDZXCMIKXKIKS-JJOYANBFSA-N 2 0 232.331 1.315 20 0 BDADRP Cc1ncoc1C[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC001579887493 986305517 /nfs/dbraw/zinc/30/55/17/986305517.db2.gz DGHMRONJRNLNSX-VHSXEESVSA-N 2 0 209.293 1.200 20 0 BDADRP CC[NH+]1CCC(C[NH2+]C[C@@H]2CC[C@H](O)C2)CC1 ZINC001462190019 986309884 /nfs/dbraw/zinc/30/98/84/986309884.db2.gz IWKZYVPLHJDFKS-KGLIPLIRSA-N 2 0 240.391 1.469 20 0 BDADRP Cc1noc(C)c1C[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC001579920038 986335457 /nfs/dbraw/zinc/33/54/57/986335457.db2.gz GFONODBBWPDYGQ-WDEREUQCSA-N 2 0 223.320 1.508 20 0 BDADRP Cn1cc(C[N@@H+]2C[C@@H]3CCCC[C@@]3(C[NH3+])C2)cn1 ZINC001579961279 986362871 /nfs/dbraw/zinc/36/28/71/986362871.db2.gz HBQXGXVDDRDGDH-UONOGXRCSA-N 2 0 248.374 1.371 20 0 BDADRP Cn1ncc(Cl)c1C[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC001580004343 986402388 /nfs/dbraw/zinc/40/23/88/986402388.db2.gz IJXPTNYRWCCAHA-DTWKUNHWSA-N 2 0 242.754 1.291 20 0 BDADRP F[C@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001580027690 986426416 /nfs/dbraw/zinc/42/64/16/986426416.db2.gz RTYOLDUYAPLICR-GRYCIOLGSA-N 2 0 214.328 1.856 20 0 BDADRP CC(C)[C@@H](O)C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC001253788559 986433090 /nfs/dbraw/zinc/43/30/90/986433090.db2.gz VSHBEBHIANZDBD-RUXDESIVSA-N 2 0 242.407 1.713 20 0 BDADRP O=c1ccc(C[NH2+]C[C@@H]2C[NH+]3CCC2CC3)c[nH]1 ZINC001462637222 986470687 /nfs/dbraw/zinc/47/06/87/986470687.db2.gz RDXANDYUWJDZTE-CYBMUJFWSA-N 2 0 247.342 1.219 20 0 BDADRP FC1CC[NH+](C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000689421601 986592684 /nfs/dbraw/zinc/59/26/84/986592684.db2.gz LZFBYXRWNUAFGE-LLVKDONJSA-N 2 0 214.328 1.810 20 0 BDADRP [NH3+]C1CC([NH2+]C[C@@H]2C[C@H]2C2CCCC2)C1 ZINC001580162623 986634271 /nfs/dbraw/zinc/63/42/71/986634271.db2.gz CIZGRQFQESYBAO-WTIISPKJSA-N 2 0 208.349 1.892 20 0 BDADRP [NH3+]C1CC([NH2+][C@@H](CO)CC2CCCC2)C1 ZINC001580162515 986634875 /nfs/dbraw/zinc/63/48/75/986634875.db2.gz BFUVFJPYYWPVEQ-HTAVTVPLSA-N 2 0 212.337 1.007 20 0 BDADRP [NH3+][C@H]1CC12CC([NH2+]C[C@@H]1CCCC[C@H]1O)C2 ZINC001580164737 986635520 /nfs/dbraw/zinc/63/55/20/986635520.db2.gz IXKMDBQBZHIWFH-XNDORFDGSA-N 2 0 224.348 1.007 20 0 BDADRP [NH3+][C@H]1CC12CC([NH2+][C@@H]1CCCC(F)(F)[C@H]1O)C2 ZINC001580167030 986643023 /nfs/dbraw/zinc/64/30/23/986643023.db2.gz SKQKMCSISJASNY-PTMZYWAGSA-N 2 0 246.301 1.005 20 0 BDADRP C[C@@H]1C[N@@H+]([C@@H]2CCC[NH+](C)CC2)CCCO1 ZINC001254516531 986649466 /nfs/dbraw/zinc/64/94/66/986649466.db2.gz NVKAWFHICJKMJO-CHWSQXEVSA-N 2 0 226.364 1.582 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH+]2CCC[C@@]3(CCO3)C2)CC1 ZINC001254527549 986673782 /nfs/dbraw/zinc/67/37/82/986673782.db2.gz ZRKJEXCYPTZQFI-UONOGXRCSA-N 2 0 238.375 1.726 20 0 BDADRP [NH3+]C[C@H]1CCCC[N@H+](C[C@H]2CCCO2)C1 ZINC000379995673 986691882 /nfs/dbraw/zinc/69/18/82/986691882.db2.gz IFPVFWCUCFCPEL-VXGBXAGGSA-N 2 0 212.337 1.226 20 0 BDADRP [NH3+]C[C@H]1CCCC[N@H+](C[C@@H]2CCCO2)C1 ZINC000379995664 986692777 /nfs/dbraw/zinc/69/27/77/986692777.db2.gz IFPVFWCUCFCPEL-NEPJUHHUSA-N 2 0 212.337 1.226 20 0 BDADRP [NH3+]C[C@]12CN(Cc3ncccn3)C[C@@H]1CCCC2 ZINC001580256777 986707562 /nfs/dbraw/zinc/70/75/62/986707562.db2.gz XUVAZIJGUPPUOE-GXTWGEPZSA-N 2 0 246.358 1.428 20 0 BDADRP [NH3+]C[C@@]12CN(Cc3c[nH]cn3)C[C@@H]1CCCC2 ZINC001580256900 986711492 /nfs/dbraw/zinc/71/14/92/986711492.db2.gz ZOXQHRWNIHMLCE-AAEUAGOBSA-N 2 0 234.347 1.361 20 0 BDADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2O)C1 ZINC001580260579 986713999 /nfs/dbraw/zinc/71/39/99/986713999.db2.gz PZQBWFZUMSDJRA-OBCWZRDOSA-N 2 0 246.354 1.362 20 0 BDADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2O)C1 ZINC001580260577 986714922 /nfs/dbraw/zinc/71/49/22/986714922.db2.gz PZQBWFZUMSDJRA-DZGBDDFRSA-N 2 0 246.354 1.362 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](CC2(O)CCCCCC2)C1 ZINC001580265779 986720268 /nfs/dbraw/zinc/72/02/68/986720268.db2.gz QPKBBQGEZPVGKF-LBPRGKRZSA-N 2 0 226.364 1.352 20 0 BDADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cn(C3CC3)cn2)C1 ZINC001580286548 986730492 /nfs/dbraw/zinc/73/04/92/986730492.db2.gz JDVSWFJFQUQDGW-GFCCVEGCSA-N 2 0 248.374 1.779 20 0 BDADRP Nc1ncccc1C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC001580339680 986781288 /nfs/dbraw/zinc/78/12/88/986781288.db2.gz UCOGSQYGMRSYPL-UHFFFAOYSA-N 2 0 242.326 1.412 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@H](c3ccncc3)C2)C1 ZINC001580387371 986812475 /nfs/dbraw/zinc/81/24/75/986812475.db2.gz BOWZAYMFOGWTNF-AEGPPILISA-N 2 0 245.370 1.998 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+]Cc2cc[nH]c(=O)c2)C1 ZINC001580389453 986817069 /nfs/dbraw/zinc/81/70/69/986817069.db2.gz GZRHITCWAWTWDV-GXSJLCMTSA-N 2 0 221.304 1.004 20 0 BDADRP CC[NH+](CC)C[C@H](O)C[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000383746167 986827606 /nfs/dbraw/zinc/82/76/06/986827606.db2.gz JDVXYCRYLCWVTK-IHRRRGAJSA-N 2 0 242.407 1.952 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cccn2C2CC2)C1 ZINC001580423187 986843203 /nfs/dbraw/zinc/84/32/03/986843203.db2.gz SOCZNIAQZDQQDQ-AOOOYVTPSA-N 2 0 205.305 1.402 20 0 BDADRP Nc1ncccc1C[NH2+]C[C@@H]1CCC[NH2+]CC1 ZINC001580472555 986869691 /nfs/dbraw/zinc/86/96/91/986869691.db2.gz NEDOIVFORLLMFU-LLVKDONJSA-N 2 0 234.347 1.143 20 0 BDADRP CC(C)N(C[C@@H]1CCC[NH2+]1)[C@H]1CCC[NH2+]CC1 ZINC001206583323 986905698 /nfs/dbraw/zinc/90/56/98/986905698.db2.gz SPGHGNDDKYAOOZ-KBPBESRZSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@H](CC[NH+](C)C)C(=O)NC(C)(C)C[NH+](C)C ZINC001468727234 986932488 /nfs/dbraw/zinc/93/24/88/986932488.db2.gz YHEGEKGNAMPCCH-LLVKDONJSA-N 2 0 243.395 1.031 20 0 BDADRP C[N@@H+]1CC[C@H](n2cc(C[NH3+])c3ccccc32)C1 ZINC001255413141 986939541 /nfs/dbraw/zinc/93/95/41/986939541.db2.gz UECLCUZDIGBVFV-LBPRGKRZSA-N 2 0 229.327 1.977 20 0 BDADRP C[N@@H+]1CC[C@@H](N2C[C@@H](C[NH3+])c3ccccc32)C1 ZINC001255419697 986941876 /nfs/dbraw/zinc/94/18/76/986941876.db2.gz DFHPNADVDXCADO-VXGBXAGGSA-N 2 0 231.343 1.253 20 0 BDADRP C[N@@H+]1CC[C@H](N2C[C@H](C[NH3+])c3ccccc32)C1 ZINC001255419600 986941922 /nfs/dbraw/zinc/94/19/22/986941922.db2.gz DFHPNADVDXCADO-RYUDHWBXSA-N 2 0 231.343 1.253 20 0 BDADRP [NH3+]Cc1cnccc1-c1ccc2c[nH+]cn2c1 ZINC001245557044 986942286 /nfs/dbraw/zinc/94/22/86/986942286.db2.gz AFBTYPNGMZWNTP-UHFFFAOYSA-N 2 0 224.267 1.855 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N(C)CC[NH+](C)C ZINC001255954444 987099787 /nfs/dbraw/zinc/09/97/87/987099787.db2.gz DQYJLSUQSXRMRP-ZDUSSCGKSA-N 2 0 229.412 1.600 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N1CC(C)([NH+](C)C)C1 ZINC001255964423 987102609 /nfs/dbraw/zinc/10/26/09/987102609.db2.gz SBSGGEOIEZUADZ-ZDUSSCGKSA-N 2 0 241.423 1.743 20 0 BDADRP c1[nH+]cn2cc(-c3ncc4c(n3)C[NH2+]C4)ccc12 ZINC001245896941 987117974 /nfs/dbraw/zinc/11/79/74/987117974.db2.gz VIKPMLHEBCPSRP-UHFFFAOYSA-N 2 0 237.266 1.395 20 0 BDADRP CCCCC[C@H](O)C[NH2+]C[C@H]1CCC[NH2+][C@H]1C ZINC001245983195 987242492 /nfs/dbraw/zinc/24/24/92/987242492.db2.gz NLLVJWKBGUJTOE-MJBXVCDLSA-N 2 0 242.407 1.905 20 0 BDADRP CCCCC[C@H](O)C[NH2+]C[C@@H]1CCC[NH2+][C@@H]1C ZINC001245983196 987243638 /nfs/dbraw/zinc/24/36/38/987243638.db2.gz NLLVJWKBGUJTOE-RDBSUJKOSA-N 2 0 242.407 1.905 20 0 BDADRP CCCC[C@@H](O)C[NH2+]CC1([NH3+])CCCC1 ZINC001245977552 987254611 /nfs/dbraw/zinc/25/46/11/987254611.db2.gz YKRCFRNJSAVHKV-LLVKDONJSA-N 2 0 214.353 1.399 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1C[NH2+]C[C@H](O)c1ccccc1 ZINC001245983136 987260434 /nfs/dbraw/zinc/26/04/34/987260434.db2.gz MTCXXXCIZSZVNH-YUELXQCFSA-N 2 0 248.370 1.555 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](C[NH2+]C[C@H](O)C(C)(C)C)C1 ZINC001245989851 987263275 /nfs/dbraw/zinc/26/32/75/987263275.db2.gz HDSHKLKIOUSHMY-SRVKXCTJSA-N 2 0 228.380 1.229 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1C[NH2+]C[C@@H](O)C(C)(C)C ZINC001245985458 987264595 /nfs/dbraw/zinc/26/45/95/987264595.db2.gz UBJJWKNQMRGMQU-GRYCIOLGSA-N 2 0 228.380 1.229 20 0 BDADRP C[C@H]([NH3+])CC[NH2+]C[C@H](O)c1ccc(F)c(F)c1 ZINC001245990864 987271257 /nfs/dbraw/zinc/27/12/57/987271257.db2.gz BKSWWKBJLYDLRD-UFBFGSQYSA-N 2 0 244.285 1.325 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](C[NH2+]C[C@@H](O)c2ccccc2)C1 ZINC001245993068 987272654 /nfs/dbraw/zinc/27/26/54/987272654.db2.gz MPERWKFIBUEQEO-GZBFAFLISA-N 2 0 248.370 1.555 20 0 BDADRP CCCCC[C@@H](O)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC001245991872 987272798 /nfs/dbraw/zinc/27/27/98/987272798.db2.gz BIHRDXLMTROCET-YNEHKIRRSA-N 2 0 228.380 1.787 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCC[C@@H]2C(C)(C)O)CC1 ZINC000691642812 987288631 /nfs/dbraw/zinc/28/86/31/987288631.db2.gz IEIHZSFVEQDZTH-CYBMUJFWSA-N 2 0 240.391 1.564 20 0 BDADRP CCCC[C@@H](O)C[NH2+]C[C@@H]1CC[NH2+]C[C@@H]1F ZINC001246012726 987288805 /nfs/dbraw/zinc/28/88/05/987288805.db2.gz OKUDXMZJXPZOOR-TUAOUCFPSA-N 2 0 232.343 1.075 20 0 BDADRP CCCC[C@@H](O)C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246016543 987301789 /nfs/dbraw/zinc/30/17/89/987301789.db2.gz LWZLVZGBYABQBH-VXGBXAGGSA-N 2 0 214.353 1.351 20 0 BDADRP CCC[C@@H](O)C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246022119 987309971 /nfs/dbraw/zinc/30/99/71/987309971.db2.gz OWPOJPBODHRCSU-OLZOCXBDSA-N 2 0 228.380 1.598 20 0 BDADRP CC(C)[C@H](O)C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246022011 987310883 /nfs/dbraw/zinc/31/08/83/987310883.db2.gz ODGXZYLWNGPKAG-OLZOCXBDSA-N 2 0 228.380 1.454 20 0 BDADRP CCC[C@@H](O)C[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246022842 987314221 /nfs/dbraw/zinc/31/42/21/987314221.db2.gz PHPSBSYAJRLMKG-NEPJUHHUSA-N 2 0 232.343 1.300 20 0 BDADRP C[C@]1([NH3+])CCC[N@H+](C[C@@H](O)c2ccccc2)CC1 ZINC001246022917 987314759 /nfs/dbraw/zinc/31/47/59/987314759.db2.gz QYFVLABNFKUADZ-CABCVRRESA-N 2 0 248.370 1.923 20 0 BDADRP C[C@H](CCO)[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693758746 987314989 /nfs/dbraw/zinc/31/49/89/987314989.db2.gz CMSDJNUBCWJVRW-WISYIIOYSA-N 2 0 226.364 1.124 20 0 BDADRP CCCC[C@H](O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001246024436 987318716 /nfs/dbraw/zinc/31/87/16/987318716.db2.gz VRLLHPBILBQEMA-MJBXVCDLSA-N 2 0 242.407 1.844 20 0 BDADRP CCC[C@H](O)C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246030150 987333213 /nfs/dbraw/zinc/33/32/13/987333213.db2.gz FBCQEQSHVWNTBU-NEPJUHHUSA-N 2 0 214.353 1.208 20 0 BDADRP CC(C)(O)C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001246033160 987334912 /nfs/dbraw/zinc/33/49/12/987334912.db2.gz MWQRPCYAAOTOJF-ZDUSSCGKSA-N 2 0 240.391 1.611 20 0 BDADRP CC[C@@H](O)C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001246034749 987335139 /nfs/dbraw/zinc/33/51/39/987335139.db2.gz RYWDXPZJEROLFY-ZIAGYGMSSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@H](O)C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001246035325 987335143 /nfs/dbraw/zinc/33/51/43/987335143.db2.gz SREUVKTWAJZNFD-WCQYABFASA-N 2 0 226.364 1.221 20 0 BDADRP CC1(C)[C@@H]2C[N@@H+](C[C@H]3CCCC[NH2+]C3)C[C@@H]21 ZINC000697017506 987348150 /nfs/dbraw/zinc/34/81/50/987348150.db2.gz UIDUYTJNTXZTMP-RWMBFGLXSA-N 2 0 222.376 1.964 20 0 BDADRP C[N@H+](C[C@H]1CCOC1)C[C@H]1CCCC[NH2+]C1 ZINC000697034962 987348588 /nfs/dbraw/zinc/34/85/88/987348588.db2.gz QBRBQAWHPBABHV-QWHCGFSZSA-N 2 0 226.364 1.344 20 0 BDADRP CCCC[C@H](O)C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001246060956 987349846 /nfs/dbraw/zinc/34/98/46/987349846.db2.gz RZBFMBGLYYDTEQ-RDBSUJKOSA-N 2 0 240.391 1.611 20 0 BDADRP Fc1ccc(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)cc1 ZINC001246071123 987357439 /nfs/dbraw/zinc/35/74/39/987357439.db2.gz GZVCNQQOOHYDNW-ZDUSSCGKSA-N 2 0 249.333 1.009 20 0 BDADRP c1nc2c(s1)C[C@H]([NH2+]C1CC[NH2+]CC1)CC2 ZINC001246072949 987361652 /nfs/dbraw/zinc/36/16/52/987361652.db2.gz NJYNPHPTQVBKBN-SNVBAGLBSA-N 2 0 237.372 1.342 20 0 BDADRP [NH3+]C[C@@H](N[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC001246074263 987363351 /nfs/dbraw/zinc/36/33/51/987363351.db2.gz BXPIMKJKBVCRKJ-QWHCGFSZSA-N 2 0 219.332 1.028 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](CNC2=[NH+]CCCCN2)C1 ZINC000697670716 987364016 /nfs/dbraw/zinc/36/40/16/987364016.db2.gz NELKGPJXAIBVHE-LBPRGKRZSA-N 2 0 238.379 1.046 20 0 BDADRP CC(C)[C@H]1C[C@H](NCC2([NH3+])CCCC2)CC[NH2+]1 ZINC001246075115 987364461 /nfs/dbraw/zinc/36/44/61/987364461.db2.gz HUPCXUMCCBGGIK-CHWSQXEVSA-N 2 0 239.407 1.624 20 0 BDADRP C[C@H](Cc1ccncc1)[NH2+]CC1([NH3+])CCCC1 ZINC001246073991 987365633 /nfs/dbraw/zinc/36/56/33/987365633.db2.gz ANSHZFPKIYWABC-GFCCVEGCSA-N 2 0 233.359 1.874 20 0 BDADRP Cc1cc(NCC[C@H](C)[NH+](C)C)nc(N)[nH+]1 ZINC000697823574 987365910 /nfs/dbraw/zinc/36/59/10/987365910.db2.gz WRFVERBRZOVDSY-VIFPVBQESA-N 2 0 223.324 1.119 20 0 BDADRP O[C@@]1(C[NH2+]C2CCCCCC2)CC[NH2+]C[C@@H]1F ZINC001246078516 987366802 /nfs/dbraw/zinc/36/68/02/987366802.db2.gz BAOSBFYUBJGCCA-QWHCGFSZSA-N 2 0 244.354 1.361 20 0 BDADRP C[C@@H]1C[C@@H](N[C@H](C[NH3+])c2ccccc2)C[C@H](C)[NH2+]1 ZINC001246079540 987371082 /nfs/dbraw/zinc/37/10/82/987371082.db2.gz ZYEWZEJMPBLJJG-AYRXBEOTSA-N 2 0 247.386 1.805 20 0 BDADRP CC(C)CC[C@H](C)[NH2+][C@@H](C)CN1CC[NH2+]CC1 ZINC001246079159 987373119 /nfs/dbraw/zinc/37/31/19/987373119.db2.gz JFFOEDQIBXCALW-KBPBESRZSA-N 2 0 241.423 1.694 20 0 BDADRP C[N@H+](CCOCC[NH3+])CCSC(F)(F)F ZINC000698947372 987373413 /nfs/dbraw/zinc/37/34/13/987373413.db2.gz UPQACZXIMWYRET-UHFFFAOYSA-N 2 0 246.298 1.147 20 0 BDADRP O=C1C[C@H]2CC([NH2+]C3CC[NH2+]CC3)C[C@@H]2C1 ZINC001246082042 987377585 /nfs/dbraw/zinc/37/75/85/987377585.db2.gz VQVPYWCOAFQHAI-NXEZZACHSA-N 2 0 222.332 1.086 20 0 BDADRP C1C[C@@]2(C[NH2+]1)CCC[C@H]([NH2+]C1CC[NH2+]CC1)C2 ZINC001246082073 987378507 /nfs/dbraw/zinc/37/85/07/987378507.db2.gz VWUPPSXLDGSTKL-KBPBESRZSA-N 3 0 237.391 1.250 20 0 BDADRP C[N@@H+]1CCC[C@@H](NCC2([NH3+])CCCC2)CC1 ZINC001246084802 987382747 /nfs/dbraw/zinc/38/27/47/987382747.db2.gz RMNOXVLNZTVXDZ-GFCCVEGCSA-N 2 0 225.380 1.332 20 0 BDADRP Cc1oncc1CN[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246083610 987383096 /nfs/dbraw/zinc/38/30/96/987383096.db2.gz VCOKKXOAWNDDAA-LDYMZIIASA-N 2 0 209.293 1.213 20 0 BDADRP CC[C@H](CC(C)C)[NH2+]C[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001246086533 987385030 /nfs/dbraw/zinc/38/50/30/987385030.db2.gz DCZZSJLCJQSUHB-FRRDWIJNSA-N 2 0 246.370 1.463 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCNC[C@@H]2F)CC1 ZINC001246088847 987389908 /nfs/dbraw/zinc/38/99/08/987389908.db2.gz YBGOXPTYOOWSDI-IFWUJCSASA-N 2 0 243.370 1.149 20 0 BDADRP C[C@@H]1CC([NH2+][C@H]2CCCC[NH2+]C2)C[C@@H](C)O1 ZINC001246089957 987392573 /nfs/dbraw/zinc/39/25/73/987392573.db2.gz IEGSGNZHRIRSFQ-UTUOFQBUSA-N 2 0 226.364 1.674 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC001246090189 987392985 /nfs/dbraw/zinc/39/29/85/987392985.db2.gz FLYLWKIZVYGZKI-YIYPIFLZSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H]1CC[C@H](C[NH2+]C2CCOCC2)C[NH2+]1 ZINC001246092131 987398471 /nfs/dbraw/zinc/39/84/71/987398471.db2.gz HZUNJVGXYSKBIR-QWRGUYRKSA-N 2 0 212.337 1.143 20 0 BDADRP C[N@@H+]1CCC[C@@H](N[C@H]2CCCC[NH2+]C2)CC1 ZINC001246093078 987403211 /nfs/dbraw/zinc/40/32/11/987403211.db2.gz VCJZHEPRBRHJJD-OLZOCXBDSA-N 2 0 225.380 1.202 20 0 BDADRP C1C[C@H]2CC(N[C@H]3CCC[NH2+]CC3)C[C@@H]1[NH2+]2 ZINC001246096981 987411119 /nfs/dbraw/zinc/41/11/19/987411119.db2.gz MDNQOQSLTCJEGF-ACJTYDJDSA-N 2 0 223.364 1.001 20 0 BDADRP CC[C@@H]1C[C@@H](NCC(C)(C)[NH3+])C[C@H](CC)[NH2+]1 ZINC001246099321 987412498 /nfs/dbraw/zinc/41/24/98/987412498.db2.gz HHFVXUUURJMMFC-ZSBIGDGJSA-N 2 0 227.396 1.623 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](C[NH2+][C@@H]2CCCOC2)C1 ZINC001246099656 987416485 /nfs/dbraw/zinc/41/64/85/987416485.db2.gz MGMAEDHOTSTBQF-SDDRHHMPSA-N 2 0 212.337 1.001 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1N[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246100009 987417721 /nfs/dbraw/zinc/41/77/21/987417721.db2.gz CEMBTSOQRCXQRV-GRYCIOLGSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1CC[C@H](CN[C@H]2CC[C@H](C)[NH2+]C2)C[NH2+]1 ZINC001246099712 987418969 /nfs/dbraw/zinc/41/89/69/987418969.db2.gz RVBJOSLCSAHOJJ-VOAKCMCISA-N 2 0 225.380 1.105 20 0 BDADRP C[C@H]1CC[C@H](C[NH2+]C2C[C@@H]3C=C[C@H](C2)O3)C[NH2+]1 ZINC001246099430 987419003 /nfs/dbraw/zinc/41/90/03/987419003.db2.gz QZTUFPDVBLLDDN-WSOGJNRSSA-N 2 0 236.359 1.450 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](C[NH2+][C@@H]2CCSC2)C1 ZINC001246099715 987419911 /nfs/dbraw/zinc/41/99/11/987419911.db2.gz MLJXIBHGBVYXIO-HBNTYKKESA-N 2 0 214.378 1.327 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](C[NH2+][C@@H]2CCCOCC2)C1 ZINC001246103999 987426593 /nfs/dbraw/zinc/42/65/93/987426593.db2.gz UDPRNJVMHJZGSU-YNEHKIRRSA-N 2 0 226.364 1.391 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+][C@H]2CCCOCC2)[NH2+]C1 ZINC001246104105 987430312 /nfs/dbraw/zinc/43/03/12/987430312.db2.gz JHYMXCWWMMDJIS-AGIUHOORSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]1CC[C@H](NC[C@]2(F)CCCC[NH2+]C2)C[NH2+]1 ZINC001246105279 987431437 /nfs/dbraw/zinc/43/14/37/987431437.db2.gz BCJZKCLQWXUJAX-AGIUHOORSA-N 2 0 243.370 1.198 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1C[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001246106672 987432531 /nfs/dbraw/zinc/43/25/31/987432531.db2.gz DVRIDIYHLYTEGE-JZRPKSSGSA-N 2 0 208.349 1.763 20 0 BDADRP C[C@@H]1CC[C@@H](CN[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)[NH2+]C1 ZINC001246105451 987434361 /nfs/dbraw/zinc/43/43/61/987434361.db2.gz BMYMXJBHQSAZBO-DGTMBMJNSA-N 2 0 237.391 1.247 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCCC2CC[NH2+]CC2)CC[NH2+]1 ZINC001246106305 987436560 /nfs/dbraw/zinc/43/65/60/987436560.db2.gz PKEOJITZFBLBBC-TZMCWYRMSA-N 3 0 239.407 1.496 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1C[NH2+][C@H]1CCC2(C[NH2+]C2)C1 ZINC001246108452 987437852 /nfs/dbraw/zinc/43/78/52/987437852.db2.gz HVBYFSBGYOLSRA-AVGNSLFASA-N 3 0 237.391 1.106 20 0 BDADRP [NH3+]C1CC([NH2+]C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246107828 987438055 /nfs/dbraw/zinc/43/80/55/987438055.db2.gz AMQWUAPLVJLKHN-UHFFFAOYSA-N 3 0 237.391 1.378 20 0 BDADRP CC[C@@H]1C[C@@H](NCCC[NH2+]C)C[C@H](CC)[NH2+]1 ZINC001246112733 987449735 /nfs/dbraw/zinc/44/97/35/987449735.db2.gz MQPCDQQAMWDHOQ-CLLJXQQHSA-N 2 0 227.396 1.495 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246114157 987450142 /nfs/dbraw/zinc/45/01/42/987450142.db2.gz UTVLQYILWGJMMA-HZSPNIEDSA-N 3 0 239.407 1.354 20 0 BDADRP COC1CCC([NH2+]C[C@H]2CC[C@@H](C)C[NH2+]2)CC1 ZINC001246113316 987451310 /nfs/dbraw/zinc/45/13/10/987451310.db2.gz NRQAJKNHTAAMKO-NELGMTEASA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1C[NH2+]C1CCSCC1 ZINC001246117288 987458483 /nfs/dbraw/zinc/45/84/83/987458483.db2.gz YZGIDMKJPYHTLZ-GHMZBOCLSA-N 2 0 228.405 1.717 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1CN[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246116817 987460187 /nfs/dbraw/zinc/46/01/87/987460187.db2.gz XENNVWKZDNDHJP-UPJWGTAASA-N 2 0 239.407 1.352 20 0 BDADRP CCSC[C@H](C)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1C ZINC001246118788 987465242 /nfs/dbraw/zinc/46/52/42/987465242.db2.gz INNGTODNGXYJDC-SRVKXCTJSA-N 2 0 230.421 1.963 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCO[C@@H](C)C1 ZINC001246118661 987465304 /nfs/dbraw/zinc/46/53/04/987465304.db2.gz HVCNSPWYBJPERW-XQHKEYJVSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1C[NH2+][C@H]1COC(C)(C)C1 ZINC001246118009 987465444 /nfs/dbraw/zinc/46/54/44/987465444.db2.gz DUBCJCGSPQBKCD-GRYCIOLGSA-N 2 0 226.364 1.389 20 0 BDADRP c1cc(N2CC[NH+](C3CC3)CC2)cc[nH+]1 ZINC001116184452 987467096 /nfs/dbraw/zinc/46/70/96/987467096.db2.gz DCKXSLXARLXJHD-UHFFFAOYSA-N 2 0 203.289 1.366 20 0 BDADRP C[C@H]([NH3+])c1nc2ccccc2n1[C@@H]1CCC[NH2+]C1 ZINC001246121890 987468018 /nfs/dbraw/zinc/46/80/18/987468018.db2.gz UYTBTCKRFYUYIB-WDEREUQCSA-N 2 0 244.342 1.981 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC3(C2)CC[NH2+]CC3)C[NH2+]1 ZINC001246123490 987473546 /nfs/dbraw/zinc/47/35/46/987473546.db2.gz APUMSRVPVJLHCY-JHJVBQTASA-N 3 0 237.391 1.249 20 0 BDADRP C1CC12C[NH2+]C[C@H]2N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246127843 987477221 /nfs/dbraw/zinc/47/72/21/987477221.db2.gz CHYYIHBFRQEVNJ-VXGBXAGGSA-N 2 0 235.375 1.003 20 0 BDADRP C[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[NH2+]CC23CC3)C1 ZINC001246129751 987477915 /nfs/dbraw/zinc/47/79/15/987477915.db2.gz HVYKHKKGEDMLPD-IJLUTSLNSA-N 2 0 208.349 1.907 20 0 BDADRP CC(C)(C)[C@@H]1C[C@H](N[C@]23C[C@H]2C[NH2+]C3)CC[NH2+]1 ZINC001246132459 987485252 /nfs/dbraw/zinc/48/52/52/987485252.db2.gz CYRPFDLUJQJPIG-OPDFLTKYSA-N 2 0 237.391 1.105 20 0 BDADRP C[C@@H]1C[C@H](N[C@@]23CCC[C@@H]2[NH2+]CC3)CC[NH2+]1 ZINC001246136496 987493559 /nfs/dbraw/zinc/49/35/59/987493559.db2.gz RYQRYPMMBBCOCL-FVCCEPFGSA-N 2 0 223.364 1.001 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC23CC[NH2+]CC3)CC[NH2+]1 ZINC001246136929 987495673 /nfs/dbraw/zinc/49/56/73/987495673.db2.gz GVGALDKDXQXNCU-AGIUHOORSA-N 3 0 237.391 1.249 20 0 BDADRP C[C@H]1CC[C@@H]([NH2+]CCCC[NH+]2CCCC2)CN1 ZINC001246162354 987520834 /nfs/dbraw/zinc/52/08/34/987520834.db2.gz OZWGTRDCUMUHBX-UONOGXRCSA-N 2 0 239.407 1.593 20 0 BDADRP [NH3+]CCc1ccc(N[C@H]2CCC[NH2+]C2)cc1 ZINC001246162604 987521880 /nfs/dbraw/zinc/52/18/80/987521880.db2.gz PTQONFLAVFGERU-ZDUSSCGKSA-N 2 0 219.332 1.352 20 0 BDADRP [NH3+]CCc1ccc(NC2CC[NH2+]CC2)cc1 ZINC001246161370 987523670 /nfs/dbraw/zinc/52/36/70/987523670.db2.gz KMUCIZPYVOYRMS-UHFFFAOYSA-N 2 0 219.332 1.352 20 0 BDADRP CCCC[N@H+](C)CCN[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246169650 987532716 /nfs/dbraw/zinc/53/27/16/987532716.db2.gz IUCSYBTVUNOHHK-QWHCGFSZSA-N 2 0 227.396 1.448 20 0 BDADRP CCCC[N@H+](C)CCN[C@H]1CC[NH2+][C@H](C)C1 ZINC001246169649 987532902 /nfs/dbraw/zinc/53/29/02/987532902.db2.gz IUCSYBTVUNOHHK-OLZOCXBDSA-N 2 0 227.396 1.448 20 0 BDADRP C[NH+](C)CCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246171011 987534025 /nfs/dbraw/zinc/53/40/25/987534025.db2.gz POFXZQHUMUNMGI-PBWFPOADSA-N 3 0 239.407 1.591 20 0 BDADRP CC(C)N(CCC[NH3+])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246172615 987539460 /nfs/dbraw/zinc/53/94/60/987539460.db2.gz PGMDRHYWCLQHEF-FUNVUKJBSA-N 3 0 225.380 1.329 20 0 BDADRP CC[C@@H]1C[C@H](NC[C@@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001246172128 987539815 /nfs/dbraw/zinc/53/98/15/987539815.db2.gz ZOBLTYPNMXTAHL-UPJWGTAASA-N 2 0 225.380 1.249 20 0 BDADRP C[C@@H]1C[C@H](Nc2cccc(F)c2C[NH3+])CC[NH2+]1 ZINC001246173814 987540675 /nfs/dbraw/zinc/54/06/75/987540675.db2.gz VTUTWHIRYGSFSZ-NXEZZACHSA-N 2 0 237.322 1.837 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCn2cccc2)CC[NH2+]1 ZINC001246174464 987542920 /nfs/dbraw/zinc/54/29/20/987542920.db2.gz QKTGAOMMLBVJDJ-VXGBXAGGSA-N 2 0 207.321 1.218 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCCc2ccncc2)CC[NH2+]1 ZINC001246176249 987543501 /nfs/dbraw/zinc/54/35/01/987543501.db2.gz NUQDSWOGAVPHQO-JSGCOSHPSA-N 2 0 233.359 1.744 20 0 BDADRP [NH2+]=C(NC1CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC001246174180 987543951 /nfs/dbraw/zinc/54/39/51/987543951.db2.gz CSZIBBHCFZIAFG-UHFFFAOYSA-N 2 0 239.269 1.632 20 0 BDADRP Cc1ncn([C@H]2CC[NH2+][C@@H](C)C2)c1CC[NH3+] ZINC001246179253 987549158 /nfs/dbraw/zinc/54/91/58/987549158.db2.gz OXOWNSTZGGQUEE-ONGXEEELSA-N 2 0 222.336 1.006 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246182848 987552326 /nfs/dbraw/zinc/55/23/26/987552326.db2.gz AMQWUAPLVJLKHN-DUPPUEJBSA-N 3 0 237.391 1.378 20 0 BDADRP CCCC[N@H+](C)CCCN[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246183559 987553948 /nfs/dbraw/zinc/55/39/48/987553948.db2.gz FUTLCTXNSRXLOW-ZIAGYGMSSA-N 2 0 241.423 1.839 20 0 BDADRP CC[C@@H]1CC(NC[C@H]2CCC[NH2+]2)C[C@@H](CC)[NH2+]1 ZINC001246185996 987558198 /nfs/dbraw/zinc/55/81/98/987558198.db2.gz CYSSONGYVXUSFR-JHJVBQTASA-N 2 0 239.407 1.637 20 0 BDADRP C[C@@H]1C[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC[NH2+]1 ZINC001246185126 987561315 /nfs/dbraw/zinc/56/13/15/987561315.db2.gz RUJBKDBDXUGXMK-XHJNMGKDSA-N 2 0 237.391 1.342 20 0 BDADRP C([NH2+][C@H]1CCC[C@@]2(CC[NH2+]C2)C1)[C@H]1CCC[NH2+]1 ZINC001246186227 987568046 /nfs/dbraw/zinc/56/80/46/987568046.db2.gz GPUISYGIJRZHJR-BFHYXJOUSA-N 3 0 237.391 1.250 20 0 BDADRP CC(C)[C@@H]1C[C@H](NC[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC001246187233 987568918 /nfs/dbraw/zinc/56/89/18/987568918.db2.gz MZJHRPDVJAFKDA-UPJWGTAASA-N 2 0 225.380 1.105 20 0 BDADRP CC(C)[C@@H](O)CC[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001473843879 987571608 /nfs/dbraw/zinc/57/16/08/987571608.db2.gz OGFFPACOXPYTHE-RDBSUJKOSA-N 2 0 240.391 1.277 20 0 BDADRP CCOCC[C@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC001246188643 987575332 /nfs/dbraw/zinc/57/53/32/987575332.db2.gz ZGQKONRAYUZIEQ-WDEREUQCSA-N 2 0 200.326 1.143 20 0 BDADRP c1ccc(C2(C[NH2+]C3CC[NH2+]CC3)COC2)cc1 ZINC001246192095 987578827 /nfs/dbraw/zinc/57/88/27/987578827.db2.gz YYNMWBGMRHEZAD-UHFFFAOYSA-N 2 0 246.354 1.296 20 0 BDADRP C[C@H]1CC[C@@H](NCc2cccc(C[NH3+])c2)C[NH2+]1 ZINC001246196618 987592372 /nfs/dbraw/zinc/59/23/72/987592372.db2.gz VEAVEZVUWZJFGR-SMDDNHRTSA-N 2 0 233.359 1.375 20 0 BDADRP C[C@@H](Cc1cccnc1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC001246197502 987592441 /nfs/dbraw/zinc/59/24/41/987592441.db2.gz KVRVMGVEBBIRBC-JSGCOSHPSA-N 2 0 233.359 1.602 20 0 BDADRP C[C@@H]1CC(NC[C@@H]2CCC[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC001246199300 987595776 /nfs/dbraw/zinc/59/57/76/987595776.db2.gz UNADWJIHOKRRKP-IJLUTSLNSA-N 2 0 225.380 1.105 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC[C@@H]1CCC[NH2+]C1)C2 ZINC001246199578 987596493 /nfs/dbraw/zinc/59/64/93/987596493.db2.gz XIIYOPHLNIKOQY-SYQHCUMBSA-N 2 0 237.391 1.201 20 0 BDADRP C1C([NH2+]C2CCCCC2)CN1C1CC[NH2+]CC1 ZINC001246215929 987612760 /nfs/dbraw/zinc/61/27/60/987612760.db2.gz UCYNKGOHFDZLIO-UHFFFAOYSA-N 2 0 237.391 1.345 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)CN1 ZINC001246226743 987622014 /nfs/dbraw/zinc/62/20/14/987622014.db2.gz BODOQMNJNKIHMC-UPJWGTAASA-N 2 0 225.380 1.106 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)CN1 ZINC001246226739 987622297 /nfs/dbraw/zinc/62/22/97/987622297.db2.gz BODOQMNJNKIHMC-FRRDWIJNSA-N 2 0 225.380 1.106 20 0 BDADRP CC[C@@H]1C[C@@H](NC2(CC)C[NH2+]C2)C[C@H](CC)[NH2+]1 ZINC001246235882 987634669 /nfs/dbraw/zinc/63/46/69/987634669.db2.gz MPVVKGVJNOZBBZ-CLLJXQQHSA-N 2 0 239.407 1.637 20 0 BDADRP CC[C@@H]1C[C@H](NCC[C@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001246238899 987638289 /nfs/dbraw/zinc/63/82/89/987638289.db2.gz AUZGGSPBMHJYJH-MGPQQGTHSA-N 2 0 239.407 1.639 20 0 BDADRP Cc1cnc(C[NH3+])n1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246245967 987645134 /nfs/dbraw/zinc/64/51/34/987645134.db2.gz UNHMQJWSLWIGBH-ZACCUICWSA-N 2 0 220.320 1.106 20 0 BDADRP C[C@@H]1C[C@H](NCC[C@@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001246244234 987645963 /nfs/dbraw/zinc/64/59/63/987645963.db2.gz LGRCLCQUOUMUNZ-FRRDWIJNSA-N 2 0 225.380 1.249 20 0 BDADRP CC1(C)C[C@@H](NCC[C@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001246247278 987648836 /nfs/dbraw/zinc/64/88/36/987648836.db2.gz SUPGLLPWOLMQMG-OLZOCXBDSA-N 2 0 239.407 1.639 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2CCCCC2=O)CC[NH2+]1 ZINC001246262065 987649594 /nfs/dbraw/zinc/64/95/94/987649594.db2.gz HLTQHZITIXSWRG-MXWKQRLJSA-N 2 0 210.321 1.228 20 0 BDADRP Cc1ccnc(CC[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC001246255133 987652264 /nfs/dbraw/zinc/65/22/64/987652264.db2.gz KJCJQBDDQBBLTP-TZMCWYRMSA-N 2 0 233.359 1.663 20 0 BDADRP [NH3+]CCc1nn(C2CC[NH2+]CC2)c2ccccc12 ZINC001246263316 987658815 /nfs/dbraw/zinc/65/88/15/987658815.db2.gz FZRMFPFTINEGSR-UHFFFAOYSA-N 2 0 244.342 1.462 20 0 BDADRP CCC[NH2+]CCN[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246267351 987663134 /nfs/dbraw/zinc/66/31/34/987663134.db2.gz GIPFCUMSHHSEMY-ZSBIGDGJSA-N 2 0 213.369 1.105 20 0 BDADRP CC(C)[C@H]1C[C@@H](NCC[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC001246274953 987669552 /nfs/dbraw/zinc/66/95/52/987669552.db2.gz XMJGHYMWUWPIST-HZSPNIEDSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H]1C[C@H](NC[C@H]2Cc3ccccc3C[NH2+]2)C[NH2+]1 ZINC001246276977 987669707 /nfs/dbraw/zinc/66/97/07/987669707.db2.gz GPKNZODMKIPFGV-BYCMXARLSA-N 2 0 245.370 1.041 20 0 BDADRP C[C@@H]1C[C@@H](NC[C@H]2Cc3ccccc3C[NH2+]2)C[NH2+]1 ZINC001246276980 987669968 /nfs/dbraw/zinc/66/99/68/987669968.db2.gz GPKNZODMKIPFGV-KCPJHIHWSA-N 2 0 245.370 1.041 20 0 BDADRP C1CC([NH+]2CCC(N[C@@H]3CCC[NH2+]C3)CC2)C1 ZINC001246276486 987670455 /nfs/dbraw/zinc/67/04/55/987670455.db2.gz LMRDBHQCXXLZTE-CYBMUJFWSA-N 2 0 237.391 1.345 20 0 BDADRP C[C@@H]1C[C@@H](NCC2([NH3+])CCCCC2)C[C@H](C)[NH2+]1 ZINC001246278103 987672479 /nfs/dbraw/zinc/67/24/79/987672479.db2.gz DFZXCPLQDGRLDA-CLLJXQQHSA-N 2 0 239.407 1.767 20 0 BDADRP O=C(CC[NH2+]C1CC[NH2+]CC1)c1ccccc1 ZINC001246277477 987672565 /nfs/dbraw/zinc/67/25/65/987672565.db2.gz HSETWQXCTFMGDR-UHFFFAOYSA-N 2 0 232.327 1.601 20 0 BDADRP C[C@@H]1C[C@H](NC[C@@H]([NH3+])c2ccccc2)CC[NH2+]1 ZINC001246278901 987673267 /nfs/dbraw/zinc/67/32/67/987673267.db2.gz JPNUKBQDRPGXQO-MRVWCRGKSA-N 2 0 233.359 1.417 20 0 BDADRP CC(C)[C@H]1C[C@@H](NC[C@@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001246289726 987684142 /nfs/dbraw/zinc/68/41/42/987684142.db2.gz VPQRERAYULSEQX-MELADBBJSA-N 2 0 239.407 1.495 20 0 BDADRP CC[C@@H]1C[C@H](N[C@H](C)CC[NH3+])C[C@H](CC)[NH2+]1 ZINC001246301677 987698742 /nfs/dbraw/zinc/69/87/42/987698742.db2.gz UVSQUMQTHALNTE-NDBYEHHHSA-N 2 0 227.396 1.623 20 0 BDADRP CCCC[C@H]1C[C@@H](NCC[C@@H](C)[NH3+])CC[NH2+]1 ZINC001246303342 987701434 /nfs/dbraw/zinc/70/14/34/987701434.db2.gz HNPSPSMMJSMMAP-AGIUHOORSA-N 2 0 227.396 1.624 20 0 BDADRP O=C1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246307219 987703103 /nfs/dbraw/zinc/70/31/03/987703103.db2.gz KWDVMHFFYYTDKB-YIBTVLSRSA-N 2 0 222.332 1.371 20 0 BDADRP CC(C)(C)[C@H]1C[C@H](N[C@H]2CCC[C@@H]2[NH3+])CC[NH2+]1 ZINC001246309985 987709002 /nfs/dbraw/zinc/70/90/02/987709002.db2.gz KRVKLIAYYRVWOC-MROQNXINSA-N 2 0 239.407 1.623 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246311559 987710739 /nfs/dbraw/zinc/71/07/39/987710739.db2.gz PPXGJEKUMIAPDF-IGQOVBAYSA-N 2 0 239.407 1.623 20 0 BDADRP CC[C@@H]1C[C@@H](NC[C@H]([NH3+])CC(C)C)CC[NH2+]1 ZINC001246311662 987710784 /nfs/dbraw/zinc/71/07/84/987710784.db2.gz QQXQMZGZTRISNG-UPJWGTAASA-N 2 0 227.396 1.480 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246310954 987712687 /nfs/dbraw/zinc/71/26/87/987712687.db2.gz AWHUNVMVHMBYFU-YNEHKIRRSA-N 3 0 225.380 1.236 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@@H](C)CCOC(C)C ZINC001246313753 987714683 /nfs/dbraw/zinc/71/46/83/987714683.db2.gz KUWZQWMFWHHJRY-WDEREUQCSA-N 2 0 202.342 1.517 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@H]1CCC[C@H](C(=O)OC)CC1 ZINC001246312749 987715758 /nfs/dbraw/zinc/71/57/58/987715758.db2.gz HOHXIAVWERCLEH-SRVKXCTJSA-N 2 0 242.363 1.435 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@H](C)CCOCC(C)C ZINC001246313667 987716583 /nfs/dbraw/zinc/71/65/83/987716583.db2.gz JYSPYTJMPFPSJR-VXGBXAGGSA-N 2 0 216.369 1.765 20 0 BDADRP CO[C@H](C)C[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC001474426067 987718671 /nfs/dbraw/zinc/71/86/71/987718671.db2.gz QWQDEQOOCXRDGM-GFCCVEGCSA-N 2 0 228.380 1.733 20 0 BDADRP CC(C)C[C@H]([NH3+])CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246314805 987718873 /nfs/dbraw/zinc/71/88/73/987718873.db2.gz YYOXLCJFBSMQES-ACJTYDJDSA-N 2 0 225.380 1.232 20 0 BDADRP CC[C@H]([NH3+])C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001246316392 987720476 /nfs/dbraw/zinc/72/04/76/987720476.db2.gz ZFNPHNPHLQFBCO-LBPRGKRZSA-N 3 0 248.374 1.377 20 0 BDADRP CC[C@H]([NH3+])C[NH2+]C1Cc2cc(F)c(F)cc2C1 ZINC001246315369 987721464 /nfs/dbraw/zinc/72/14/64/987721464.db2.gz TUBRZHZIFRHOPK-JTQLQIEISA-N 2 0 240.297 1.759 20 0 BDADRP CCCC[C@@H]1C[C@H](N[C@@H](CC)C[NH3+])CC[NH2+]1 ZINC001246316975 987723580 /nfs/dbraw/zinc/72/35/80/987723580.db2.gz LHBBJSHFFLBTTM-YNEHKIRRSA-N 2 0 227.396 1.624 20 0 BDADRP CC[C@@H]([NH3+])CN[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001246319278 987724990 /nfs/dbraw/zinc/72/49/90/987724990.db2.gz UTKRTARNYLENGW-CABCVRRESA-N 2 0 247.386 1.588 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N[C@H]2CCC[NH2+][C@@H]2C)CC[NH2+]1 ZINC001246322581 987728692 /nfs/dbraw/zinc/72/86/92/987728692.db2.gz BBFHFFXUEFWZJC-RFGFWPKPSA-N 2 0 239.407 1.493 20 0 BDADRP [NH3+]Cc1ncccc1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246328508 987733873 /nfs/dbraw/zinc/73/38/73/987733873.db2.gz YLPILMAHPZRAKS-ZACCUICWSA-N 2 0 232.331 1.235 20 0 BDADRP CC1(C)CC[NH2+]C[C@H]1N[C@H]1CCC[NH2+]CC1 ZINC001246329169 987734035 /nfs/dbraw/zinc/73/40/35/987734035.db2.gz LZXZKEVRURXBMR-NWDGAFQWSA-N 2 0 225.380 1.106 20 0 BDADRP CC1(C)CC[NH2+]C[C@@H]1N[C@H]1CCC[NH2+]CC1 ZINC001246329173 987734946 /nfs/dbraw/zinc/73/49/46/987734946.db2.gz LZXZKEVRURXBMR-RYUDHWBXSA-N 2 0 225.380 1.106 20 0 BDADRP CC(C)[C@@H]([NH3+])C[NH2+]C1CCC2(CC[NH2+]C2)CC1 ZINC001246330116 987735013 /nfs/dbraw/zinc/73/50/13/987735013.db2.gz ALMQPFCHMPJIBX-MOKVOYLWSA-N 2 0 239.407 1.482 20 0 BDADRP CC(C)[C@H]1C[C@H](N[C@H]2C[NH2+]CC[C@@H]2C)CC[NH2+]1 ZINC001246332717 987737246 /nfs/dbraw/zinc/73/72/46/987737246.db2.gz SPTMQABKVNIHCT-DGAVXFQQSA-N 2 0 239.407 1.351 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C2CCC(CC[NH3+])CC2)CC[NH2+]1 ZINC001246332583 987738145 /nfs/dbraw/zinc/73/81/45/987738145.db2.gz FRJQVWFFDDOZLU-GFJIZPEISA-N 3 0 239.407 1.624 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246330740 987739111 /nfs/dbraw/zinc/73/91/11/987739111.db2.gz GBNHEDJAKGVLLE-JHJVBQTASA-N 2 0 227.396 1.336 20 0 BDADRP C[C@H]1CC[C@H](N[C@@]23CC[C@@]([NH3+])(C2)CCC3)C[NH2+]1 ZINC001246333313 987743273 /nfs/dbraw/zinc/74/32/73/987743273.db2.gz LLOSKQKYGLMYOK-FQUUOJAGSA-N 2 0 237.391 1.521 20 0 BDADRP CN1CCC([NH2+][C@@]23CC[C@@]([NH3+])(C2)CCC3)CC1 ZINC001246338194 987745744 /nfs/dbraw/zinc/74/57/44/987745744.db2.gz CSABYXIYCWFRNQ-KGLIPLIRSA-N 2 0 237.391 1.474 20 0 BDADRP CCN1CC[C@@H]([NH2+][C@@]23CC[C@@]([NH3+])(C2)CCC3)C1 ZINC001246338311 987748673 /nfs/dbraw/zinc/74/86/73/987748673.db2.gz FRAXFFUSUULBCS-MCIONIFRSA-N 2 0 237.391 1.474 20 0 BDADRP FC1(F)CCN(CC[NH2+]C2CC[NH2+]CC2)CC1 ZINC001246342781 987753956 /nfs/dbraw/zinc/75/39/56/987753956.db2.gz SMAOZTGYJASVQQ-UHFFFAOYSA-N 2 0 247.333 1.059 20 0 BDADRP CC1(C)CC[C@@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246345908 987755544 /nfs/dbraw/zinc/75/55/44/987755544.db2.gz BMNVDELZFXWCSU-NEPJUHHUSA-N 2 0 237.391 1.249 20 0 BDADRP CC(C)(C)[C@H](C[NH3+])N[C@@H]1CCCC[NH2+]C1 ZINC001246349253 987756658 /nfs/dbraw/zinc/75/66/58/987756658.db2.gz XNSIECQUCQYAQR-MNOVXSKESA-N 2 0 213.369 1.092 20 0 BDADRP C[C@@H](Cc1cccc(O)c1)[NH2+]C1CC[NH2+]CC1 ZINC001246345543 987757406 /nfs/dbraw/zinc/75/74/06/987757406.db2.gz FNCAJIFRVYTMJC-NSHDSACASA-N 2 0 234.343 1.665 20 0 BDADRP COC(=O)CCCC[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC001246357419 987763721 /nfs/dbraw/zinc/76/37/21/987763721.db2.gz UJFDHWXZJUWMEZ-MNOVXSKESA-N 2 0 228.336 1.060 20 0 BDADRP C[C@H]1CC[C@@H](N[C@H]2CC[N@@H+](C3CCC3)C2)C[NH2+]1 ZINC001246359453 987769322 /nfs/dbraw/zinc/76/93/22/987769322.db2.gz BPNIRWHXPYTQOT-XQQFMLRXSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@H]([NH+](C)C)CC2)CC[NH2+]1 ZINC001246366435 987770883 /nfs/dbraw/zinc/77/08/83/987770883.db2.gz IXQHHNKHHIOLSG-FQUUOJAGSA-N 3 0 239.407 1.589 20 0 BDADRP C[C@@H]1CC[C@@H](Nc2cccc(CC[NH3+])c2)C[NH2+]1 ZINC001246367150 987771243 /nfs/dbraw/zinc/77/12/43/987771243.db2.gz RZSSGFCSLSDUIT-BXUZGUMPSA-N 2 0 233.359 1.740 20 0 BDADRP [NH3+]Cc1cc2ccncc2n1[C@H]1CCC[NH2+]C1 ZINC001246364908 987771520 /nfs/dbraw/zinc/77/15/20/987771520.db2.gz VFGIQYBEFWGTOE-NSHDSACASA-N 2 0 230.315 1.420 20 0 BDADRP CC(C)(C)[C@H]1C[C@H](NC(C)(C)CC[NH3+])CC[NH2+]1 ZINC001246363997 987772803 /nfs/dbraw/zinc/77/28/03/987772803.db2.gz RLEUFCCYBHLACJ-VXGBXAGGSA-N 2 0 241.423 1.870 20 0 BDADRP CO[C@H](C)C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC001474648363 987774571 /nfs/dbraw/zinc/77/45/71/987774571.db2.gz YJMYZDKNWIHWIJ-GFCCVEGCSA-N 2 0 240.391 1.733 20 0 BDADRP CC1(C)CCC[C@H]([NH2+]CCNCC[NH3+])C1 ZINC001246402829 987782362 /nfs/dbraw/zinc/78/23/62/987782362.db2.gz BPDGNWRIZNXTFT-NSHDSACASA-N 2 0 213.369 1.093 20 0 BDADRP CC[C@H](Cc1ccccc1)[NH2+]CCNCC[NH3+] ZINC001246405241 987786333 /nfs/dbraw/zinc/78/63/33/987786333.db2.gz NICNRCZRALOEIF-CQSZACIVSA-N 2 0 235.375 1.146 20 0 BDADRP CC[C@H]1CC[C@@H]([NH2+]CCCC[C@H]([NH3+])C(N)=O)C1 ZINC001246407749 987786660 /nfs/dbraw/zinc/78/66/60/987786660.db2.gz ZJMYFCAULFHAJS-TUAOUCFPSA-N 2 0 241.379 1.138 20 0 BDADRP CCC[C@H](C)CC[C@H](C)[NH2+]CCNCC[NH3+] ZINC001246406285 987788416 /nfs/dbraw/zinc/78/84/16/987788416.db2.gz SVDFOINELWDZNR-STQMWFEESA-N 2 0 229.412 1.729 20 0 BDADRP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC12C[NH2+]C2 ZINC001246442838 987793422 /nfs/dbraw/zinc/79/34/22/987793422.db2.gz FBEBONDSKPVAJP-GXFFZTMASA-N 2 0 234.318 1.708 20 0 BDADRP CC[C@H]1CC(NCC[NH2+]C(C)C)C[C@H](CC)[NH2+]1 ZINC001246451892 987796008 /nfs/dbraw/zinc/79/60/08/987796008.db2.gz IDBHAKAWIBTBNK-STQMWFEESA-N 2 0 241.423 1.883 20 0 BDADRP c1ccc(CC2([NH2+]C3CC[NH2+]CC3)CCC2)nc1 ZINC001246434539 987798490 /nfs/dbraw/zinc/79/84/90/987798490.db2.gz MFEHRLQJTKGIAD-UHFFFAOYSA-N 2 0 245.370 1.888 20 0 BDADRP CSC(C)(C)C[C@H](C)[NH2+][C@H]1CC12C[NH2+]C2 ZINC001246444813 987801521 /nfs/dbraw/zinc/80/15/21/987801521.db2.gz LTWKWXONHNSMMZ-UWVGGRQHSA-N 2 0 228.405 1.858 20 0 BDADRP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC13C[NH2+]C3)C2 ZINC001246443991 987803019 /nfs/dbraw/zinc/80/30/19/987803019.db2.gz JCSNTVSDPJZDNE-TZMCWYRMSA-N 2 0 244.338 1.114 20 0 BDADRP CCOC1CCC([NH2+][C@@H]2CC23C[NH2+]C3)CC1 ZINC001246445272 987803778 /nfs/dbraw/zinc/80/37/78/987803778.db2.gz NKNJQARNDDDLNT-HTAVTVPLSA-N 2 0 224.348 1.286 20 0 BDADRP C[C@H]1CC[C@H]([NH2+]C[C@H]2CCC[C@@H](C[NH3+])C2)CN1 ZINC001246451000 987808595 /nfs/dbraw/zinc/80/85/95/987808595.db2.gz SQBHSDDKZNLNMR-CRWXNKLISA-N 2 0 239.407 1.482 20 0 BDADRP CC(C)[NH2+]CCN[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246454482 987809236 /nfs/dbraw/zinc/80/92/36/987809236.db2.gz UNRNEVHKYXBTPG-STQMWFEESA-N 2 0 241.423 1.741 20 0 BDADRP CCC[C@H](C)[NH2+]CCCNCCC[NH3+] ZINC001246453449 987809302 /nfs/dbraw/zinc/80/93/02/987809302.db2.gz ONCQONWFUPEDLW-NSHDSACASA-N 2 0 201.358 1.093 20 0 BDADRP CC(C)[NH2+]CCN[C@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246452311 987810014 /nfs/dbraw/zinc/81/00/14/987810014.db2.gz JVTWTJWYDRQFKQ-QWHCGFSZSA-N 2 0 227.396 1.351 20 0 BDADRP C[C@H](CC1CC1)[NH2+]CCCNCCC[NH3+] ZINC001246455943 987812854 /nfs/dbraw/zinc/81/28/54/987812854.db2.gz YOIVMZOVDBSPCW-LLVKDONJSA-N 2 0 213.369 1.093 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]Cc2cccc3c2CCN3)CC[NH2+]1 ZINC001246470253 987828627 /nfs/dbraw/zinc/82/86/27/987828627.db2.gz LFLHKWNRIBSKJL-DGCLKSJQSA-N 2 0 245.370 1.885 20 0 BDADRP CC(C)[C@H]1C[C@@H](N[C@@H]2C[NH2+]CC[C@@H]2F)CC[NH2+]1 ZINC001246481721 987841088 /nfs/dbraw/zinc/84/10/88/987841088.db2.gz JZJRQLMLBRJPPO-WUHRBBMRSA-N 2 0 243.370 1.053 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N[C@@H]2C[NH2+]CC[C@@H]2F)CC[NH2+]1 ZINC001246481724 987841718 /nfs/dbraw/zinc/84/17/18/987841718.db2.gz JZJRQLMLBRJPPO-ZDEQEGDKSA-N 2 0 243.370 1.053 20 0 BDADRP C[NH2+][C@H]1C[C@@H](N[C@H]2CC[NH2+][C@H](C(C)C)C2)C1 ZINC001246494924 987850915 /nfs/dbraw/zinc/85/09/15/987850915.db2.gz IHRBZBGNZDFQJU-RVMXOQNASA-N 2 0 225.380 1.103 20 0 BDADRP C[NH2+][C@H]1C[C@@H](N[C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)C1 ZINC001246494147 987851643 /nfs/dbraw/zinc/85/16/43/987851643.db2.gz FFWHMGLNKABFJJ-WUHRBBMRSA-N 2 0 239.407 1.493 20 0 BDADRP CC[C@@H]1C[C@H](N[C@H]2C[C@@H]([NH2+]C)C2)C[C@H](CC)[NH2+]1 ZINC001246498131 987853052 /nfs/dbraw/zinc/85/30/52/987853052.db2.gz UEYJACIKKFGOKB-KCLGILNXSA-N 2 0 239.407 1.636 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC[C@@H](O)c2ccccc2)CC[NH2+]1 ZINC001246498655 987854073 /nfs/dbraw/zinc/85/40/73/987854073.db2.gz JCJAFZJINCZHFL-NWANDNLSSA-N 2 0 248.370 1.840 20 0 BDADRP CC[C@@H]1CC(NC23CC([NH3+])(C2)C3)C[C@@H](CC)[NH2+]1 ZINC001246500436 987856204 /nfs/dbraw/zinc/85/62/04/987856204.db2.gz ICPWICHCNLSIRU-IENTYSSBSA-N 2 0 237.391 1.519 20 0 BDADRP CC(C)N([C@@H]1CC[C@H](C)[NH2+]C1)C(C)(C)C[NH3+] ZINC001246501740 987856911 /nfs/dbraw/zinc/85/69/11/987856911.db2.gz CQJIZIOKLWSHPI-NWDGAFQWSA-N 2 0 227.396 1.575 20 0 BDADRP CC(C)C[C@@H](C[NH3+])N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246503958 987857061 /nfs/dbraw/zinc/85/70/61/987857061.db2.gz OKOHNWFVHJQOCI-STQMWFEESA-N 2 0 239.407 1.624 20 0 BDADRP NC[C@@H]([NH2+][C@@H]1CCC2(C[NH2+]C2)C1)c1ccccc1 ZINC001246507457 987861002 /nfs/dbraw/zinc/86/10/02/987861002.db2.gz PMXWEEZFPXYGLU-ZIAGYGMSSA-N 2 0 245.370 1.418 20 0 BDADRP C[N@H+](Cc1ccccc1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246520710 987869988 /nfs/dbraw/zinc/86/99/88/987869988.db2.gz VJJSQULFLRERTH-AWEZNQCLSA-N 2 0 245.370 1.212 20 0 BDADRP C1C[N@@H+](C2CC[NH2+]CC2)CC2(C1)CC[NH2+]CC2 ZINC001246525309 987874938 /nfs/dbraw/zinc/87/49/38/987874938.db2.gz VZEBEHHMLUYZQE-UHFFFAOYSA-N 2 0 237.391 1.204 20 0 BDADRP C[NH2+]CCN(C)[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246525377 987875579 /nfs/dbraw/zinc/87/55/79/987875579.db2.gz WTMVNEZROKYMHA-CYBMUJFWSA-N 2 0 239.407 1.593 20 0 BDADRP CC(C)OC(=O)CC[C@H](C)N1CCC[NH2+]CC1 ZINC001246530429 987885592 /nfs/dbraw/zinc/88/55/92/987885592.db2.gz YACWUOBCQOSDGH-LBPRGKRZSA-N 2 0 242.363 1.402 20 0 BDADRP CC(C)(C)[C@H]1C[C@@H](N2CCC[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246533738 987889807 /nfs/dbraw/zinc/88/98/07/987889807.db2.gz GNLXKUBYNRBXKC-RWMBFGLXSA-N 2 0 239.407 1.576 20 0 BDADRP CC(C)(C)[C@H]1C[C@H](N2C[C@H]([NH3+])[C@@H](F)C2)CC[NH2+]1 ZINC001246532838 987890808 /nfs/dbraw/zinc/89/08/08/987890808.db2.gz KQFJLYIMQIDVML-NOOOWODRSA-N 2 0 243.370 1.134 20 0 BDADRP CCCC[C@H]1C[C@H](N2CCC[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246533449 987890857 /nfs/dbraw/zinc/89/08/57/987890857.db2.gz CZJZWBORHDHWIM-MELADBBJSA-N 2 0 239.407 1.720 20 0 BDADRP CC1(C)[C@@H]2C[C@H]([N@@H+]3CC[C@](C)([NH3+])C3)C[C@@H]21 ZINC001246532810 987891472 /nfs/dbraw/zinc/89/14/72/987891472.db2.gz YJBSGXRRLURASC-NOHGZBONSA-N 2 0 208.349 1.844 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[C@@](C)([NH3+])C1)C2 ZINC001246531698 987891852 /nfs/dbraw/zinc/89/18/52/987891852.db2.gz SHDATTLVWABENG-YVECIDJPSA-N 2 0 223.364 1.035 20 0 BDADRP CC[C@@H]1C[C@H](N2C[C@H](C)[C@H](C[NH3+])C2)CC[NH2+]1 ZINC001246540736 987904091 /nfs/dbraw/zinc/90/40/91/987904091.db2.gz KAMXNZYKHFLTAN-UMSGYPCISA-N 2 0 225.380 1.044 20 0 BDADRP CC[C@@H]1C[C@@H](N2[C@@H](C)CC[C@H]2C[NH3+])CC[NH2+]1 ZINC001246540590 987905842 /nfs/dbraw/zinc/90/58/42/987905842.db2.gz VTHFXESKLYAIRH-RNJOBUHISA-N 2 0 225.380 1.329 20 0 BDADRP C[C@@H]1CCC[C@@H]([N@@H+]2CCC[C@@](O)(C[NH3+])CC2)C1 ZINC001246541977 987911082 /nfs/dbraw/zinc/91/10/82/987911082.db2.gz HZPQOBKWTRFACI-MCIONIFRSA-N 2 0 240.391 1.741 20 0 BDADRP CSCC[C@H](C)[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246544885 987922872 /nfs/dbraw/zinc/92/28/72/987922872.db2.gz HUOAGUZGCKBSCZ-WDEREUQCSA-N 2 0 216.394 1.941 20 0 BDADRP C[C@]1(O)CCCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246547393 987924629 /nfs/dbraw/zinc/92/46/29/987924629.db2.gz HZDKCUKYDNBQPU-PIGZVRMJSA-N 2 0 238.375 1.506 20 0 BDADRP [NH3+]C[C@]1(F)CCCN([C@@H]2CCCC[NH2+]C2)CC1 ZINC001246549804 987933539 /nfs/dbraw/zinc/93/35/39/987933539.db2.gz NRECYQKKTUHXDV-OLZOCXBDSA-N 2 0 243.370 1.281 20 0 BDADRP C[C@@H]1CC(N2CC[C@H](C)[C@@H](C[NH3+])C2)C[C@@H](C)[NH2+]1 ZINC001246549688 987935273 /nfs/dbraw/zinc/93/52/73/987935273.db2.gz HQHALNSEQRGOFV-LOWDOPEQSA-N 2 0 239.407 1.432 20 0 BDADRP CCSC[C@@H](C)[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246549864 987935182 /nfs/dbraw/zinc/93/51/82/987935182.db2.gz INZXIRUYDNIPRV-VXGBXAGGSA-N 2 0 246.420 1.304 20 0 BDADRP C[C@@H]1CC(N2CC[C@@H](C)[C@H](C[NH3+])C2)C[C@@H](C)[NH2+]1 ZINC001246549685 987936235 /nfs/dbraw/zinc/93/62/35/987936235.db2.gz HQHALNSEQRGOFV-FDYHWXHSSA-N 2 0 239.407 1.432 20 0 BDADRP CC1(C)C[C@H](N2CCC[C@@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246549854 987938423 /nfs/dbraw/zinc/93/84/23/987938423.db2.gz IMNQMUKIKQEJOT-TZMCWYRMSA-N 2 0 239.407 1.720 20 0 BDADRP C[C@]1([NH3+])CCCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246547942 987940042 /nfs/dbraw/zinc/94/00/42/987940042.db2.gz DKHKXOGJPVOBOT-PIGZVRMJSA-N 2 0 237.391 1.473 20 0 BDADRP C[C@@]1([NH3+])CCC[N@@H+]([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC001246551075 987941679 /nfs/dbraw/zinc/94/16/79/987941679.db2.gz KMAFBWZMSHKQKV-ZOBORPQBSA-N 3 0 237.391 1.188 20 0 BDADRP [NH3+]C[C@@]1(F)CCC[N@@H+]([C@@H]2CCSC2)CC1 ZINC001246550857 987942522 /nfs/dbraw/zinc/94/25/22/987942522.db2.gz ORTWYJBIEJHBSK-GHMZBOCLSA-N 2 0 232.368 1.645 20 0 BDADRP C[NH2+]C1CCC([N@@H+]2CCC[C@@](C)([NH3+])CC2)CC1 ZINC001246551674 987955364 /nfs/dbraw/zinc/95/53/64/987955364.db2.gz MGGYNZWASWFAOF-JXQTWKCFSA-N 3 0 239.407 1.720 20 0 BDADRP C[C@]1([NH3+])CCC[N@@H+](C2CCOCC2)CC1 ZINC001246554510 987959715 /nfs/dbraw/zinc/95/97/15/987959715.db2.gz VUPKDJUPTBHJSW-LBPRGKRZSA-N 2 0 212.337 1.369 20 0 BDADRP C[C@@]1([NH3+])CCC[N@@H+]([C@H]2CCCOC2)CC1 ZINC001246553848 987963141 /nfs/dbraw/zinc/96/31/41/987963141.db2.gz SRPOZHDXVBAJTG-NWDGAFQWSA-N 2 0 212.337 1.369 20 0 BDADRP C[C@]1([NH3+])CCCN(C2C[C@@H]3C=C[C@H](C2)[NH2+]3)CC1 ZINC001246555437 987966244 /nfs/dbraw/zinc/96/62/44/987966244.db2.gz XPTZBXVIQNEZDU-PIGZVRMJSA-N 2 0 235.375 1.249 20 0 BDADRP C[C@@H]1CC[N@@H+](C2C[C@@H]3C=C[C@H](C2)[NH2+]3)CC[C@H]1C[NH3+] ZINC001246557400 987977076 /nfs/dbraw/zinc/97/70/76/987977076.db2.gz LMCASZDJVSFKQE-NLXYCFSDSA-N 3 0 249.402 1.352 20 0 BDADRP CCCC(CCC)[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246559328 987982466 /nfs/dbraw/zinc/98/24/66/987982466.db2.gz OSHZMOQXSPONPS-VXGBXAGGSA-N 2 0 214.353 1.349 20 0 BDADRP CCCCCC[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246559352 987983380 /nfs/dbraw/zinc/98/33/80/987983380.db2.gz PDRAQOGWRRBKQL-YNEHKIRRSA-N 2 0 228.380 1.739 20 0 BDADRP [NH3+][C@@H]1CC[N@@H+](C2CCCCCC2)C[C@H]1O ZINC001246559953 987986753 /nfs/dbraw/zinc/98/67/53/987986753.db2.gz QNUKIWWTOITINQ-VXGBXAGGSA-N 2 0 212.337 1.103 20 0 BDADRP CC[C@@H](CC(C)C)[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246560906 987995821 /nfs/dbraw/zinc/99/58/21/987995821.db2.gz QSZVVNPBENBVHW-KBPBESRZSA-N 2 0 242.407 1.987 20 0 BDADRP CC(C)C[C@@H](O)C[NH2+]C1CCC(C[NH3+])CC1 ZINC001118059393 987998290 /nfs/dbraw/zinc/99/82/90/987998290.db2.gz QIFNXAVJWOWKGO-WXRRBKDZSA-N 2 0 228.380 1.501 20 0 BDADRP C[C@@H]1C[N@@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)C[C@H]1[NH3+] ZINC001246563130 988001028 /nfs/dbraw/zinc/00/10/28/988001028.db2.gz OTQMTZXCGWHQBH-FRRDWIJNSA-N 3 0 237.391 1.188 20 0 BDADRP C[C@@H]1CCN([C@@H]2CCC[NH2+]C2)CC[C@H]1C[NH3+] ZINC001246563475 988008548 /nfs/dbraw/zinc/00/85/48/988008548.db2.gz XDLFYILOEWKHAN-FRRDWIJNSA-N 2 0 225.380 1.045 20 0 BDADRP C[C@@H]1C[N@@H+]([C@H]2CCCOCC2)CCC[C@@H]1C[NH3+] ZINC001246564887 988012806 /nfs/dbraw/zinc/01/28/06/988012806.db2.gz GQQAROKMJXOFHR-MCIONIFRSA-N 2 0 240.391 1.862 20 0 BDADRP C[C@@H]1C[N@@H+]([C@@H]2CCCOCC2)CCC[C@H]1C[NH3+] ZINC001246564884 988015077 /nfs/dbraw/zinc/01/50/77/988015077.db2.gz GQQAROKMJXOFHR-HZSPNIEDSA-N 2 0 240.391 1.862 20 0 BDADRP C[C@@H]1C[N@@H+]([C@@H]2COC(C)(C)C2)CCC[C@@H]1C[NH3+] ZINC001246564499 988017215 /nfs/dbraw/zinc/01/72/15/988017215.db2.gz XHXDAEVQWMTHBR-UPJWGTAASA-N 2 0 240.391 1.861 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC001118118934 988018346 /nfs/dbraw/zinc/01/83/46/988018346.db2.gz KREFREBCMUMDHC-JHJVBQTASA-N 2 0 228.380 1.778 20 0 BDADRP [NH3+]C[C@]1(O)CCCC[N@@H+](C2CCCC2)C1 ZINC001246564261 988019862 /nfs/dbraw/zinc/01/98/62/988019862.db2.gz WVEQCWIUGZCKIL-GFCCVEGCSA-N 2 0 212.337 1.105 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC001118121855 988022990 /nfs/dbraw/zinc/02/29/90/988022990.db2.gz KATXZRQBSKYZEP-NEPJUHHUSA-N 3 0 227.396 1.304 20 0 BDADRP C[C@@H]1CC[C@H](N2CCC[C@@](C)(C[NH3+])CC2)C[NH2+]1 ZINC001246574841 988080926 /nfs/dbraw/zinc/08/09/26/988080926.db2.gz JGCOLMDAIYQUQJ-HZSPNIEDSA-N 2 0 239.407 1.578 20 0 BDADRP [NH3+]C[C@]1(F)CCCCN([C@H]2CCCOC2)C1 ZINC001246575777 988084543 /nfs/dbraw/zinc/08/45/43/988084543.db2.gz IYUXOHDWOVFCJT-NWDGAFQWSA-N 2 0 230.327 1.318 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@@H+](C2CCOCC2)CC1 ZINC001246576656 988084634 /nfs/dbraw/zinc/08/46/34/988084634.db2.gz MFRJSGZUIJXAIN-ZDUSSCGKSA-N 2 0 226.364 1.616 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@](C)(C[NH3+])CC2)CC[NH2+]1 ZINC001246579271 988101545 /nfs/dbraw/zinc/10/15/45/988101545.db2.gz UAQNBBQHRXTQQA-HZSPNIEDSA-N 3 0 239.407 1.578 20 0 BDADRP CCCC[C@H](CC)[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246580191 988105652 /nfs/dbraw/zinc/10/56/52/988105652.db2.gz KYKMXSYOMKJKMV-SRVKXCTJSA-N 2 0 214.353 1.207 20 0 BDADRP C[C@@H]1C[C@H]([NH+]2CCC(CC[NH3+])CC2)CC[NH2+]1 ZINC001246580756 988108732 /nfs/dbraw/zinc/10/87/32/988108732.db2.gz OPCZSBFMLVZYFK-DGCLKSJQSA-N 3 0 225.380 1.188 20 0 BDADRP CC1(C)C[C@H](N2CC[C@@H]([NH3+])[C@@H](F)CC2)CC[NH2+]1 ZINC001246580704 988110018 /nfs/dbraw/zinc/11/00/18/988110018.db2.gz DTNIGCNYKJXUIW-GRYCIOLGSA-N 2 0 243.370 1.278 20 0 BDADRP C[C@@H]1C[C@@H](N2CCCC[C@@](F)(C[NH3+])C2)CC[NH2+]1 ZINC001246582182 988111209 /nfs/dbraw/zinc/11/12/09/988111209.db2.gz RIHXGEIVJAFOHR-FRRDWIJNSA-N 2 0 243.370 1.280 20 0 BDADRP CC[C@@H]1C[C@H]([N@H+]2CC[C@@H](F)[C@@H](N)CC2)CCO1 ZINC001246583492 988120274 /nfs/dbraw/zinc/12/02/74/988120274.db2.gz GYSZTULAABRBSH-LPWJVIDDSA-N 2 0 244.354 1.705 20 0 BDADRP CCCC[C@@H](CCC)[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246584025 988122851 /nfs/dbraw/zinc/12/28/51/988122851.db2.gz KYJKZKLLFAPHQF-YNEHKIRRSA-N 2 0 228.380 1.597 20 0 BDADRP C[C@@]1(C[NH3+])CCCC[N@@H+]([C@@H]2CCCOC2)C1 ZINC001246583758 988126659 /nfs/dbraw/zinc/12/66/59/988126659.db2.gz KIGFZWJEYJOPOZ-OLZOCXBDSA-N 2 0 226.364 1.616 20 0 BDADRP [NH3+]C[C@@]1(F)CCCCN([C@H]2CCCC[NH2+]C2)C1 ZINC001246585068 988130848 /nfs/dbraw/zinc/13/08/48/988130848.db2.gz YLEHRPWIZKWYMH-STQMWFEESA-N 2 0 243.370 1.281 20 0 BDADRP C[C@@H]1C[C@@H](N2CCCC[C@](C)(C[NH3+])C2)C[NH2+]1 ZINC001246586290 988143267 /nfs/dbraw/zinc/14/32/67/988143267.db2.gz SSLMKKIRPXRVQY-JHJVBQTASA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@](F)(CO)CC2)CC[NH2+]1 ZINC001246587705 988146089 /nfs/dbraw/zinc/14/60/89/988146089.db2.gz IMNLFICENMEXTP-AGIUHOORSA-N 2 0 244.354 1.313 20 0 BDADRP CCCCC[C@@H](CCC)[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246587165 988146739 /nfs/dbraw/zinc/14/67/39/988146739.db2.gz VOZCRQFYGMHNEC-MJBXVCDLSA-N 2 0 242.407 1.987 20 0 BDADRP C[C@@H]1C[C@H](N2C[C@H](C[NH3+])CC[C@@H]2C)CC[NH2+]1 ZINC001246590261 988170181 /nfs/dbraw/zinc/17/01/81/988170181.db2.gz RZEMEXWOQOHHFO-MROQNXINSA-N 2 0 225.380 1.186 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2CC[NH2+][C@H](C)CC2)CC[NH2+]1 ZINC001246592105 988173776 /nfs/dbraw/zinc/17/37/76/988173776.db2.gz FMCORBLWMWGNBW-MCIONIFRSA-N 2 0 239.407 1.447 20 0 BDADRP CC(C)[C@H]1C[C@H](N2CC[NH2+][C@H](C)CC2)CC[NH2+]1 ZINC001246592106 988175776 /nfs/dbraw/zinc/17/57/76/988175776.db2.gz FMCORBLWMWGNBW-MGPQQGTHSA-N 2 0 239.407 1.447 20 0 BDADRP CO[C@H]1CCC[C@H]([NH+]2CC(C)(C[NH3+])C2)C1 ZINC001246591777 988176782 /nfs/dbraw/zinc/17/67/82/988176782.db2.gz XPAJQOMSYLLTAD-QWRGUYRKSA-N 2 0 212.337 1.225 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CC(C)(C[NH3+])C1 ZINC001246592505 988180792 /nfs/dbraw/zinc/18/07/92/988180792.db2.gz CKAZQHKFSMQJCL-CYBMUJFWSA-N 3 0 241.423 1.778 20 0 BDADRP [NH3+]C[C@@H]1CCCC[N@@H+]([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC001246593745 988187201 /nfs/dbraw/zinc/18/72/01/988187201.db2.gz NTHQSXJJANKBBB-IGQOVBAYSA-N 3 0 237.391 1.045 20 0 BDADRP CC1(C[NH3+])C[NH+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001246602153 988206324 /nfs/dbraw/zinc/20/63/24/988206324.db2.gz VXCOOMOJRQAXCH-OCCSQVGLSA-N 3 0 237.391 1.189 20 0 BDADRP C[C@@H]1C[C@@H](N2CC[C@]3(C2)CCC[NH2+]C3)CC[NH2+]1 ZINC001246599118 988206851 /nfs/dbraw/zinc/20/68/51/988206851.db2.gz ARHCVOFCHZEXPS-HZSPNIEDSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@@H]1C[C@H](N2CCC3(CC([NH3+])C3)CC2)CC[NH2+]1 ZINC001246603872 988218306 /nfs/dbraw/zinc/21/83/06/988218306.db2.gz PALRBBWQXYWBPS-DGCLKSJQSA-N 2 0 237.391 1.330 20 0 BDADRP C[NH+](C)C1CCC([NH+]2CC(C)(C[NH3+])C2)CC1 ZINC001246603517 988218485 /nfs/dbraw/zinc/21/84/85/988218485.db2.gz ZHVPWLLRNYGCIF-UHFFFAOYSA-N 3 0 225.380 1.140 20 0 BDADRP C[NH2+]CC[C@H](C)N1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246617173 988249084 /nfs/dbraw/zinc/24/90/84/988249084.db2.gz YHJAUKPUZRGLKN-KBPBESRZSA-N 2 0 239.407 1.593 20 0 BDADRP C[C@H](CC1CC1)[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246618032 988260474 /nfs/dbraw/zinc/26/04/74/988260474.db2.gz JMELYKDBHDKVCO-XBFCOCLRSA-N 2 0 237.391 1.201 20 0 BDADRP C1C[NH2+]CC2(C1)CCN(C1CC[NH2+]CC1)CC2 ZINC001246621616 988263105 /nfs/dbraw/zinc/26/31/05/988263105.db2.gz LWWVIDNGLMOJEF-UHFFFAOYSA-N 2 0 237.391 1.204 20 0 BDADRP C1C[C@]2(CN1[C@H]1CCCC[NH2+]C1)CCCC[NH2+]2 ZINC001246623367 988286387 /nfs/dbraw/zinc/28/63/87/988286387.db2.gz QDXYRZHXQZOCIV-KBPBESRZSA-N 2 0 237.391 1.347 20 0 BDADRP C[C@H]1CC[C@H]([N@H+]2C[C@H]3[C@H](CC3(F)F)C2)C[NH2+]1 ZINC001246630158 988303741 /nfs/dbraw/zinc/30/37/41/988303741.db2.gz HICXIBDCTQHPCA-VLEAKVRGSA-N 2 0 230.302 1.714 20 0 BDADRP CC(C)[C@H]1C[C@H](N2CC[C@@H]3[NH2+]CC[C@H]32)CC[NH2+]1 ZINC001246634778 988315679 /nfs/dbraw/zinc/31/56/79/988315679.db2.gz PHMJBBOBIRHQNS-XJFOESAGSA-N 2 0 237.391 1.199 20 0 BDADRP C(C1CC1)[NH+]1CCC(N2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001246634465 988317119 /nfs/dbraw/zinc/31/71/19/988317119.db2.gz NTSHYBHEBOZARV-LSDHHAIUSA-N 2 0 249.402 1.297 20 0 BDADRP CC1(C)[C@@H]2C[C@@H]([N@@H+]3CC[C@H]4[NH2+]CC[C@H]43)C[C@@H]21 ZINC001246637801 988326213 /nfs/dbraw/zinc/32/62/13/988326213.db2.gz KTVRAWSLSRYGJP-UJPOAAIJSA-N 2 0 220.360 1.857 20 0 BDADRP c1ccc2c(c1)CC([N@H+]1CC[C@H]3[NH2+]CC[C@H]31)C2 ZINC001246635267 988329010 /nfs/dbraw/zinc/32/90/10/988329010.db2.gz JVKPSNLKFJTPKS-HUUCEWRRSA-N 2 0 228.339 1.590 20 0 BDADRP C1CC2(C1)C[C@@H](N1CC[C@H]3[NH2+]CC[C@H]31)CC[NH2+]2 ZINC001246636363 988333237 /nfs/dbraw/zinc/33/32/37/988333237.db2.gz GJAHNKLNLNVEDL-YNEHKIRRSA-N 2 0 235.375 1.097 20 0 BDADRP CC(C)[C@H]1C[C@H](N2CCCC23C[NH2+]C3)CC[NH2+]1 ZINC001246642725 988344154 /nfs/dbraw/zinc/34/41/54/988344154.db2.gz OEAJZBUSBIPPKP-CHWSQXEVSA-N 2 0 237.391 1.201 20 0 BDADRP CO[C@@H]1CCC[C@@H]([N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC001246641525 988346615 /nfs/dbraw/zinc/34/66/15/988346615.db2.gz JAMYRKQKNUTUBY-FVCCEPFGSA-N 2 0 224.348 1.380 20 0 BDADRP CC[C@H](CC(C)C)[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246643116 988354514 /nfs/dbraw/zinc/35/45/14/988354514.db2.gz OBIDBUDVHOYNNP-KGLIPLIRSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H]1C[C@@H]([N@@H+]2CCCC3(COC3)C2)CC[NH2+]1 ZINC001246645517 988361046 /nfs/dbraw/zinc/36/10/46/988361046.db2.gz BYHCNMRWUGTRTL-RYUDHWBXSA-N 2 0 224.348 1.239 20 0 BDADRP C1C[C@@]2(C[NH2+]1)CCCC[N@@H+]2[C@H]1CCCOCC1 ZINC001246645833 988362165 /nfs/dbraw/zinc/36/21/65/988362165.db2.gz WFBPQKFILOLXSQ-UONOGXRCSA-N 2 0 238.375 1.774 20 0 BDADRP C1C[C@]2(C[NH2+]1)CCCC[N@@H+]2[C@@H]1CCCOCC1 ZINC001246645832 988367301 /nfs/dbraw/zinc/36/73/01/988367301.db2.gz WFBPQKFILOLXSQ-KGLIPLIRSA-N 2 0 238.375 1.774 20 0 BDADRP CC1(C)[C@@H]2C[C@H]([N@@H+]3CCN[C@]4(CC[NH2+]C4)C3)C[C@@H]21 ZINC001246645351 988367405 /nfs/dbraw/zinc/36/74/05/988367405.db2.gz UMPMPPXRRSZKEW-XFMPKHEZSA-N 2 0 249.402 1.058 20 0 BDADRP CC1(C)C[C@H](N2C[C@H]3CCC[NH2+][C@H]3C2)CC[NH2+]1 ZINC001246656720 988382801 /nfs/dbraw/zinc/38/28/01/988382801.db2.gz KWOJNPZKPHWKGS-UPJWGTAASA-N 2 0 237.391 1.201 20 0 BDADRP C1[NH2+][C@H]2CCCN(C3CCC4(CC[NH2+]C4)CC3)[C@H]12 ZINC001246661174 988390629 /nfs/dbraw/zinc/39/06/29/988390629.db2.gz KDOPXDWIKBPADQ-RAFNIBEQSA-N 2 0 249.402 1.345 20 0 BDADRP C1[C@H]2[NH2+]CCN([C@@H]3CC[NH2+]C4(CCCCC4)C3)[C@@H]12 ZINC001246659170 988390865 /nfs/dbraw/zinc/39/08/65/988390865.db2.gz FNIZJQCLYOQGGD-MCIONIFRSA-N 2 0 249.402 1.487 20 0 BDADRP [NH3+][C@@]12C[C@@H]1CCN([C@H]1CC[NH2+]C3(CCC3)C1)C2 ZINC001246660196 988393242 /nfs/dbraw/zinc/39/32/42/988393242.db2.gz SEOSMBXBNHPBLU-SGMGOOAPSA-N 2 0 235.375 1.084 20 0 BDADRP C1[NH2+][C@H]2CCCN(C3CCC4(CC[NH2+]C4)CC3)[C@@H]12 ZINC001246661172 988393445 /nfs/dbraw/zinc/39/34/45/988393445.db2.gz KDOPXDWIKBPADQ-GQKFXUNGSA-N 2 0 249.402 1.345 20 0 BDADRP C1C[C@H]2CN([C@@H]3CCC4(C3)CC[NH2+]CC4)C[C@@H]1[NH2+]2 ZINC001246674179 988418550 /nfs/dbraw/zinc/41/85/50/988418550.db2.gz NFRSHUACNGLQBI-HZSPNIEDSA-N 2 0 249.402 1.345 20 0 BDADRP C[C@@H]1CC(N(C)[C@H]2CCC[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC001246679525 988424791 /nfs/dbraw/zinc/42/47/91/988424791.db2.gz QIYPPOYMXHVDOD-UTUOFQBUSA-N 2 0 225.380 1.199 20 0 BDADRP C[C@H]1CC[C@@H](N2CCC(C3C[NH2+]C3)CC2)C[NH2+]1 ZINC001246677873 988424942 /nfs/dbraw/zinc/42/49/42/988424942.db2.gz JHXDHVQEHHQSQT-SMDDNHRTSA-N 2 0 237.391 1.058 20 0 BDADRP CN(CCC[NH3+])[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246680086 988431209 /nfs/dbraw/zinc/43/12/09/988431209.db2.gz HGGGOMZPWHSBHN-CYBMUJFWSA-N 2 0 239.407 1.722 20 0 BDADRP CC(C)[C@@H]1C[NH2+]CCN1[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246689925 988436072 /nfs/dbraw/zinc/43/60/72/988436072.db2.gz BLCCAEMVWXQYHD-DGAVXFQQSA-N 2 0 237.391 1.199 20 0 BDADRP C[NH2+]CC[C@H](C)N1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001246692236 988438953 /nfs/dbraw/zinc/43/89/53/988438953.db2.gz NHRNMHLUGPQOJF-XQQFMLRXSA-N 2 0 243.370 1.008 20 0 BDADRP CC(C)[C@@H]1C[NH2+]CCN1[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246695092 988444129 /nfs/dbraw/zinc/44/41/29/988444129.db2.gz LSENCNAWXZCWIL-AVGNSLFASA-N 2 0 225.380 1.057 20 0 BDADRP C(C1CC1)[N@@H+]1CCC2(CN(C3CC[NH2+]CC3)C2)C1 ZINC001246720286 988451030 /nfs/dbraw/zinc/45/10/30/988451030.db2.gz MCSYNAQJQJWCEN-UHFFFAOYSA-N 2 0 249.402 1.156 20 0 BDADRP CCN(C1CC[NH+](C)CC1)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246781061 988461989 /nfs/dbraw/zinc/46/19/89/988461989.db2.gz BFVHEONALIGDEL-GXTWGEPZSA-N 2 0 239.407 1.543 20 0 BDADRP CC1(C)CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246782747 988463919 /nfs/dbraw/zinc/46/39/19/988463919.db2.gz KVNLQORBFZZUAL-GFCCVEGCSA-N 2 0 237.391 1.202 20 0 BDADRP CCN(CC[NH+]1CCCC1)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246797669 988477485 /nfs/dbraw/zinc/47/74/85/988477485.db2.gz PQSOLJRVEUEIRS-KGLIPLIRSA-N 2 0 239.407 1.545 20 0 BDADRP C[C@H]1C[C@H](N2CCC[C@H]2C[NH+](C)C)CC[NH2+]1 ZINC001246798195 988480436 /nfs/dbraw/zinc/48/04/36/988480436.db2.gz SQPXXIPXQKMVCW-XQQFMLRXSA-N 2 0 225.380 1.153 20 0 BDADRP CC[C@H]1C[NH2+]CCN1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246802607 988485687 /nfs/dbraw/zinc/48/56/87/988485687.db2.gz KJKQQRYOMXTVCS-CRWXNKLISA-N 2 0 237.391 1.343 20 0 BDADRP COC(=O)[C@H]1CC[C@@H](C)[N@@H+](C2CC[NH2+]CC2)C1 ZINC001246808098 988490391 /nfs/dbraw/zinc/49/03/91/988490391.db2.gz BJBMMNLZRNWFCH-MNOVXSKESA-N 2 0 240.347 1.012 20 0 BDADRP [NH3+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246809405 988492507 /nfs/dbraw/zinc/49/25/07/988492507.db2.gz RMBTXJXQKLGGJI-MPOCRNKUSA-N 3 0 235.375 1.224 20 0 BDADRP C1[NH2+]CC12C[C@@H]([N@@H+]1CCC[C@H]3CCC[C@H]31)CCN2 ZINC001246822290 988513073 /nfs/dbraw/zinc/51/30/73/988513073.db2.gz YCTVJRIZIZXZEV-HZSPNIEDSA-N 2 0 249.402 1.345 20 0 BDADRP CC(C)C[C@H]1CN([C@@H]2CCC[NH2+]CC2)CC[NH2+]1 ZINC001246826150 988518402 /nfs/dbraw/zinc/51/84/02/988518402.db2.gz XFBUEUFJNRXJEM-UONOGXRCSA-N 2 0 239.407 1.448 20 0 BDADRP CC(C)CC[C@H](C)N(CC[NH3+])CC[NH3+] ZINC001246830076 988522987 /nfs/dbraw/zinc/52/29/87/988522987.db2.gz IJXOUXYQXHTEHP-NSHDSACASA-N 2 0 201.358 1.031 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N2CC[NH2+]C3(CC3)C2)CC[NH2+]1 ZINC001246831215 988523760 /nfs/dbraw/zinc/52/37/60/988523760.db2.gz BXZYGDAWIQVCHW-STQMWFEESA-N 2 0 237.391 1.201 20 0 BDADRP CC[C@H]1C[C@@H](N2CC3(C2)CCCC[NH2+]3)CC[NH2+]1 ZINC001246834943 988530909 /nfs/dbraw/zinc/53/09/09/988530909.db2.gz WGGJHOKFOLTCEG-STQMWFEESA-N 2 0 237.391 1.345 20 0 BDADRP C[N@@H+]1C[C@H]2CCCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@H]2C1 ZINC001246834975 988533371 /nfs/dbraw/zinc/53/33/71/988533371.db2.gz RMBBFHRXIIPQMN-YYJFMHSASA-N 2 0 249.402 1.295 20 0 BDADRP CCCCC[C@@H](CC)N(CC[NH3+])CC[NH3+] ZINC001246835433 988533602 /nfs/dbraw/zinc/53/36/02/988533602.db2.gz XMVIAPFPVNVXPG-GFCCVEGCSA-N 2 0 215.385 1.565 20 0 BDADRP C[N@H+]1C[C@H]2[C@H](C1)CCCN2C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246834970 988534613 /nfs/dbraw/zinc/53/46/13/988534613.db2.gz RMBBFHRXIIPQMN-WQKZHXONSA-N 2 0 249.402 1.295 20 0 BDADRP CCCC1CCC(N(CC[NH3+])CC[NH3+])CC1 ZINC001246836063 988534646 /nfs/dbraw/zinc/53/46/46/988534646.db2.gz YKURYLMVWAJDGA-UHFFFAOYSA-N 2 0 227.396 1.565 20 0 BDADRP COC(=O)C[C@@H]1CCC[N@@H+]1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246838395 988537890 /nfs/dbraw/zinc/53/78/90/988537890.db2.gz HGGLFAHUGXJBTA-WOPDTQHZSA-N 2 0 240.347 1.154 20 0 BDADRP C[C@@H]1CC[C@@H](N(C)C[C@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001246845321 988555426 /nfs/dbraw/zinc/55/54/26/988555426.db2.gz FMGQBXGXJCTCSY-FRRDWIJNSA-N 2 0 225.380 1.058 20 0 BDADRP C[N@H+](CC1CCCC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246844166 988559815 /nfs/dbraw/zinc/55/98/15/988559815.db2.gz XULJNUIXRAUDJY-CYBMUJFWSA-N 2 0 237.391 1.202 20 0 BDADRP C[NH2+]Cc1cccc(N[C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC001246854440 988569239 /nfs/dbraw/zinc/56/92/39/988569239.db2.gz UDCVEQJFQHIIHE-RISCZKNCSA-N 2 0 233.359 1.958 20 0 BDADRP CCN([C@@H](C)CC[NH2+]C)[C@@H]1CCC[NH2+]C1 ZINC001246856125 988581873 /nfs/dbraw/zinc/58/18/73/988581873.db2.gz YNKCVKCVHMOQFG-NWDGAFQWSA-N 2 0 213.369 1.058 20 0 BDADRP CC(C)[C@H]1C[C@H](N2C[C@H](C)C[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246861452 988598359 /nfs/dbraw/zinc/59/83/59/988598359.db2.gz JQPGXKYUZHJABB-XJFOESAGSA-N 2 0 239.407 1.432 20 0 BDADRP Cc1nc2c(n1C1C[C@H]3CC[C@@H](C1)[NH2+]3)C[NH2+]CC2 ZINC001246863889 988607692 /nfs/dbraw/zinc/60/76/92/988607692.db2.gz NNWITQLMOLBQQT-FOSCPWQOSA-N 2 0 246.358 1.293 20 0 BDADRP C[C@H]1C[C@@H](n2cncc2C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246866981 988620378 /nfs/dbraw/zinc/62/03/78/988620378.db2.gz LPYGZTLPUXUOJJ-AAEUAGOBSA-N 2 0 248.374 1.663 20 0 BDADRP CC[C@@H]1C[C@@H](N2C[C@H]3CC[C@@H](C2)[NH2+]C3)CC[NH2+]1 ZINC001246867496 988621435 /nfs/dbraw/zinc/62/14/35/988621435.db2.gz OKWXPKLHYJUASQ-CRWXNKLISA-N 2 0 237.391 1.201 20 0 BDADRP C(OC[C@H]1CC[N@@H+](C2CC[NH2+]CC2)C1)C1CC1 ZINC001246867083 988622241 /nfs/dbraw/zinc/62/22/41/988622241.db2.gz WMEHXAHONMXLAI-ZDUSSCGKSA-N 2 0 238.375 1.487 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N2[C@H](C)C[NH2+]C[C@H]2C)CC[NH2+]1 ZINC001246882109 988650699 /nfs/dbraw/zinc/65/06/99/988650699.db2.gz HGMDBBVNCINAQT-MQYQWHSLSA-N 2 0 239.407 1.445 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCc3cc(N)ccc3C2)CC[NH2+]1 ZINC001246884379 988650834 /nfs/dbraw/zinc/65/08/34/988650834.db2.gz SRXDHCWAOWKCSZ-ABAIWWIYSA-N 2 0 245.370 1.767 20 0 BDADRP CC(C)[C@@H]1C[C@H](N(C)C[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC001246888195 988655784 /nfs/dbraw/zinc/65/57/84/988655784.db2.gz GZZKFTNXFKBVJQ-MJBXVCDLSA-N 2 0 239.407 1.447 20 0 BDADRP CCN(CC[NH2+]C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246890701 988659363 /nfs/dbraw/zinc/65/93/63/988659363.db2.gz KNWQMHYKHNTXAQ-CLLJXQQHSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H]1C[C@H](N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)CC[NH2+]1 ZINC001246890883 988659677 /nfs/dbraw/zinc/65/96/77/988659677.db2.gz AOGPSEAJOWDDJY-AAVRWANBSA-N 2 0 237.391 1.010 20 0 BDADRP CN(C[C@@H]1CCC[NH2+]1)[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246889377 988660470 /nfs/dbraw/zinc/66/04/70/988660470.db2.gz PBVULEMEJPMJDD-STQMWFEESA-N 2 0 237.391 1.345 20 0 BDADRP CC[C@@H]1C[C@@H](N2CC([NH3+])(CC)C2)C[C@H](CC)[NH2+]1 ZINC001246893241 988663311 /nfs/dbraw/zinc/66/33/11/988663311.db2.gz IZXPVQQIBOLIIA-CLLJXQQHSA-N 2 0 239.407 1.719 20 0 BDADRP CN([C@H]1CCCC[C@H]1[NH3+])[C@@H]1CCCC[NH2+]C1 ZINC001246907170 988673957 /nfs/dbraw/zinc/67/39/57/988673957.db2.gz DMHFNBVLZQBBSJ-UPJWGTAASA-N 2 0 225.380 1.330 20 0 BDADRP C[NH2+][C@@H]1CCN1C1CCC2(CCC[NH2+]C2)CC1 ZINC001246901496 988674586 /nfs/dbraw/zinc/67/45/86/988674586.db2.gz YIAXWSWUHBEDFS-MOKVOYLWSA-N 2 0 237.391 1.550 20 0 BDADRP CC[C@@H]1CC(N2CC[C@@H]2[NH2+]C)C[C@@H](CC)[NH2+]1 ZINC001246899909 988677440 /nfs/dbraw/zinc/67/74/40/988677440.db2.gz QWZCISLUGVPGHQ-NQBHXWOUSA-N 2 0 225.380 1.547 20 0 BDADRP C1[NH2+]CC12C[C@@H]([NH+]1C3CCCC1CCC3)CCN2 ZINC001246906670 988679304 /nfs/dbraw/zinc/67/93/04/988679304.db2.gz RNHYFRZZVJUHQR-RUXDESIVSA-N 2 0 249.402 1.487 20 0 BDADRP NC[C@H]1CCC[N@@H+]1C1CCC2(CC[NH2+]C2)CC1 ZINC001246906660 988681509 /nfs/dbraw/zinc/68/15/09/988681509.db2.gz FUZJHVXLQRYKEV-ROKHWSDSSA-N 2 0 237.391 1.332 20 0 BDADRP CCC[N@H+](CC(C)C)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246910269 988688387 /nfs/dbraw/zinc/68/83/87/988688387.db2.gz KJXIWGGCIJKXAC-CYBMUJFWSA-N 2 0 239.407 1.448 20 0 BDADRP C1CC1[NH2+][C@H]1CCCN([C@H]2CCCC[NH2+]C2)C1 ZINC001246918505 988711359 /nfs/dbraw/zinc/71/13/59/988711359.db2.gz KXAIJSMMPRVNAD-KBPBESRZSA-N 2 0 237.391 1.345 20 0 BDADRP C[NH2+]CC[C@H](C)N(C)[C@H]1CCCC[C@H]1[NH3+] ZINC001246918540 988711706 /nfs/dbraw/zinc/71/17/06/988711706.db2.gz KZHYDJPGWGQTET-TUAOUCFPSA-N 2 0 213.369 1.186 20 0 BDADRP C[NH2+]C1CCC([N@H+](C)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246917560 988712868 /nfs/dbraw/zinc/71/28/68/988712868.db2.gz KCHVGHPJXLJOJN-ABXWRUBCSA-N 3 0 239.407 1.589 20 0 BDADRP C[NH2+]C1CCC([N@H+](C)[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246917564 988716220 /nfs/dbraw/zinc/71/62/20/988716220.db2.gz KCHVGHPJXLJOJN-GFJIZPEISA-N 3 0 239.407 1.589 20 0 BDADRP CO[C@H](C)C1C[NH+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246920881 988724571 /nfs/dbraw/zinc/72/45/71/988724571.db2.gz GPQSIYHQSMUBST-MDFVCYEDSA-N 2 0 224.348 1.236 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2CCC[C@@H]2C[NH3+])CC[NH2+]1 ZINC001246918878 988725704 /nfs/dbraw/zinc/72/57/04/988725704.db2.gz YCFJMRAGSGFDAH-UPJWGTAASA-N 2 0 225.380 1.186 20 0 BDADRP CCCC[C@@H]1CN([C@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC001246920619 988727886 /nfs/dbraw/zinc/72/78/86/988727886.db2.gz HVJQRYAFLAXYHE-KGLIPLIRSA-N 2 0 239.407 1.593 20 0 BDADRP CC(C)C[NH+]1CCC(N2C[C@@H]3C[NH2+]C[C@H]32)CC1 ZINC001246920692 988732025 /nfs/dbraw/zinc/73/20/25/988732025.db2.gz QLBJJQNEUCMGCL-GXTWGEPZSA-N 2 0 237.391 1.010 20 0 BDADRP CN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCC[C@H]1[NH3+] ZINC001246923395 988742677 /nfs/dbraw/zinc/74/26/77/988742677.db2.gz WSLAZQVEAARYHE-YJBUHQLJSA-N 2 0 237.391 1.471 20 0 BDADRP CCCN([C@@H](C)CC[NH2+]C)[C@@H]1CC[NH2+]C1 ZINC001246929445 988748486 /nfs/dbraw/zinc/74/84/86/988748486.db2.gz OTVNQJXXJFXOER-NWDGAFQWSA-N 2 0 213.369 1.058 20 0 BDADRP [NH3+]CCCC[NH2+]CC1=Cc2ccccc2OC1 ZINC001118960329 988751042 /nfs/dbraw/zinc/75/10/42/988751042.db2.gz RYYWWJLQBSNTRW-UHFFFAOYSA-N 2 0 232.327 1.791 20 0 BDADRP c1cn([C@H]2CCC[NH2+]C2)c2c1C[NH2+]CC2 ZINC001246926111 988753606 /nfs/dbraw/zinc/75/36/06/988753606.db2.gz RFGVSFASRMQKND-NSHDSACASA-N 2 0 205.305 1.058 20 0 BDADRP CCCN([C@@H]1CC[NH2+]C1)[C@H]1CCCC[NH2+]C1 ZINC001246940150 988773308 /nfs/dbraw/zinc/77/33/08/988773308.db2.gz IGGIEZDEZHNLOM-QWHCGFSZSA-N 2 0 225.380 1.202 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2C[C@@H]3CC[C@H]2C[NH2+]3)CC[NH2+]1 ZINC001246943508 988774717 /nfs/dbraw/zinc/77/47/17/988774717.db2.gz KXCGROFOWOZGDK-CRWXNKLISA-N 2 0 237.391 1.199 20 0 BDADRP CCCN([C@@H]1CC[NH2+]C1)[C@@H]1CCCC[NH2+]C1 ZINC001246940128 988777049 /nfs/dbraw/zinc/77/70/49/988777049.db2.gz IGGIEZDEZHNLOM-CHWSQXEVSA-N 2 0 225.380 1.202 20 0 BDADRP C1C[C@]2(C[NH2+]1)CCC[C@@H]([N@@H+]1C[C@@H]3CC[C@H]1CN3)C2 ZINC001246946085 988780941 /nfs/dbraw/zinc/78/09/41/988780941.db2.gz ZUEFBUOHPZSCMD-LJISPDSOSA-N 2 0 249.402 1.345 20 0 BDADRP C1C[C@]2(CCOC2)[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246945789 988781104 /nfs/dbraw/zinc/78/11/04/988781104.db2.gz XZINAGOVEXVYHD-ZGVCCVRISA-N 2 0 222.332 1.134 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](n3ccnn3)C2)CC[NH2+]1 ZINC001246944560 988782491 /nfs/dbraw/zinc/78/24/91/988782491.db2.gz HVQWBOREVSHHAH-JHJVBQTASA-N 2 0 249.362 1.056 20 0 BDADRP CC(C)N([C@@H]1C[NH2+][C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC001246954168 988787137 /nfs/dbraw/zinc/78/71/37/988787137.db2.gz IZCGXCSHKGMGFG-XQQFMLRXSA-N 2 0 225.380 1.199 20 0 BDADRP CC(C)N([C@H]1CC[NH2+]C1)[C@@H]1CCCC[NH2+]C1 ZINC001246960895 988793654 /nfs/dbraw/zinc/79/36/54/988793654.db2.gz PFPNSMITRRKZGG-OLZOCXBDSA-N 2 0 225.380 1.201 20 0 BDADRP CC(C)N([C@@H]1CC[NH2+]C1)C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246966045 988795874 /nfs/dbraw/zinc/79/58/74/988795874.db2.gz JKTCVWFJHGIQNH-JHJVBQTASA-N 2 0 239.407 1.588 20 0 BDADRP C[C@@H]1C[NH+](C2CCC3(C[NH2+]C3)CC2)C[C@@H](C)N1 ZINC001246970831 988798659 /nfs/dbraw/zinc/79/86/59/988798659.db2.gz WQZORWUKEDNZGD-VXGBXAGGSA-N 2 0 237.391 1.201 20 0 BDADRP C[NH2+]CC[C@@H](C)N(C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001246971637 988799759 /nfs/dbraw/zinc/79/97/59/988799759.db2.gz HVFWBLSXYNXVHH-OLZOCXBDSA-N 2 0 239.407 1.448 20 0 BDADRP CC[C@H]([NH3+])CN(C)[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246972700 988800525 /nfs/dbraw/zinc/80/05/25/988800525.db2.gz FELBYAUFZCDPSV-NWDGAFQWSA-N 2 0 225.380 1.330 20 0 BDADRP CC(C)[N@H+](C1CC[NH2+]CC1)C1CCN(C)CC1 ZINC001246970937 988800678 /nfs/dbraw/zinc/80/06/78/988800678.db2.gz CUKGGSYCUBYSTP-UHFFFAOYSA-N 2 0 239.407 1.543 20 0 BDADRP C[NH2+]CC[C@@H](C)N(C(C)C)[C@@H]1CC[NH2+]C1 ZINC001246968935 988801339 /nfs/dbraw/zinc/80/13/39/988801339.db2.gz ROACMVTXLCKILF-VXGBXAGGSA-N 2 0 213.369 1.057 20 0 BDADRP CC[C@H]([NH3+])CN(C)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001246973506 988805747 /nfs/dbraw/zinc/80/57/47/988805747.db2.gz KFLWTMGBCOXTJJ-WUHRBBMRSA-N 2 0 225.380 1.281 20 0 BDADRP C[C@H](N)C[N@H+](C)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246981868 988809080 /nfs/dbraw/zinc/80/90/80/988809080.db2.gz SLGXQYXLXASCPL-RYUDHWBXSA-N 2 0 225.380 1.188 20 0 BDADRP CC[N@H+]1C[C@@H]2C[NH+]([C@H]3CC[NH2+][C@H](C)C3)C[C@@H]2C1 ZINC001246980687 988810350 /nfs/dbraw/zinc/81/03/50/988810350.db2.gz RQUDCGUBTPFJRG-MQYQWHSLSA-N 3 0 237.391 1.010 20 0 BDADRP CC[C@H]1C[C@@H](N2CC[NH2+]CC[C@H]2C)CC[NH2+]1 ZINC001246983520 988814496 /nfs/dbraw/zinc/81/44/96/988814496.db2.gz TUUPVXBAIJDCNX-AGIUHOORSA-N 2 0 225.380 1.201 20 0 BDADRP CC[C@H]1C[C@H](N2CC[NH2+]CC[C@H]2C)CC[NH2+]1 ZINC001246983521 988816348 /nfs/dbraw/zinc/81/63/48/988816348.db2.gz TUUPVXBAIJDCNX-FRRDWIJNSA-N 2 0 225.380 1.201 20 0 BDADRP C[NH2+]CC[C@@H](C)N(C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001246989042 988820834 /nfs/dbraw/zinc/82/08/34/988820834.db2.gz RTNVTFBTHULVBZ-TZMCWYRMSA-N 2 0 239.407 1.591 20 0 BDADRP C1=C2NCC[N@@H+]([C@H]3CCC4(C[NH2+]C4)C3)[C@H]2CCC1 ZINC001246991462 988823857 /nfs/dbraw/zinc/82/38/57/988823857.db2.gz BAVRKVQZCGBKNJ-JSGCOSHPSA-N 2 0 247.386 1.470 20 0 BDADRP CCCC[C@@H]1C[C@H](N2CC[NH2+]C2)CC[NH2+]1 ZINC001246993521 988825724 /nfs/dbraw/zinc/82/57/24/988825724.db2.gz NVMSQSGGCVTCQM-VXGBXAGGSA-N 2 0 211.353 1.160 20 0 BDADRP C[NH2+]C1CCC([N@@H+]2CCNC3=CCCC[C@H]32)CC1 ZINC001246993865 988829825 /nfs/dbraw/zinc/82/98/25/988829825.db2.gz IVIHMAYPWSZHFC-SSDMNJCBSA-N 2 0 249.402 1.859 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)CC[NH2+]1 ZINC001247000848 988832558 /nfs/dbraw/zinc/83/25/58/988832558.db2.gz HCJYAXDEXOKGLS-YVECIDJPSA-N 2 0 236.359 1.428 20 0 BDADRP COC(=O)[C@]1(C)CC[N@@H+]([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001247000383 988833276 /nfs/dbraw/zinc/83/32/76/988833276.db2.gz ICXCBLVSZAKXHT-NTZNESFSSA-N 2 0 240.347 1.012 20 0 BDADRP CN(CCCCCC[NH3+])C(=O)[C@H]([NH3+])CC1CC1 ZINC001119358351 989004086 /nfs/dbraw/zinc/00/40/86/989004086.db2.gz SXXCBESOCDPWSQ-GFCCVEGCSA-N 2 0 241.379 1.091 20 0 BDADRP C[C@H]([NH3+])CN1CCC[C@H]1COC(C)(C)C ZINC001119607237 989229506 /nfs/dbraw/zinc/22/95/06/989229506.db2.gz ZGZDMSOQPQRPBT-QWRGUYRKSA-N 2 0 214.353 1.613 20 0 BDADRP CC[N@@H+]1CCC[C@@H](CN[C@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC001325744298 989247397 /nfs/dbraw/zinc/24/73/97/989247397.db2.gz UGVPDPYYQKUMKK-RDBSUJKOSA-N 2 0 239.407 1.448 20 0 BDADRP CO[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCCC3)C1 ZINC001119629821 989260645 /nfs/dbraw/zinc/26/06/45/989260645.db2.gz BBGSTUHYHOOGGH-JHJVBQTASA-N 2 0 238.375 1.818 20 0 BDADRP CC1(C)[C@H]([NH2+]CCc2cn[nH]c2)[C@@H]2CCC[NH2+][C@@H]21 ZINC001119630779 989268310 /nfs/dbraw/zinc/26/83/10/989268310.db2.gz JVPGCCLVFMCCTR-FRRDWIJNSA-N 2 0 248.374 1.318 20 0 BDADRP C[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC001326038768 989336143 /nfs/dbraw/zinc/33/61/43/989336143.db2.gz MIJHEMCZASFMLZ-NQBHXWOUSA-N 2 0 241.379 1.008 20 0 BDADRP C[NH2+][C@H](C)CCN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC001326472611 989559692 /nfs/dbraw/zinc/55/96/92/989559692.db2.gz DJAKZHYSHOUCOD-IJLUTSLNSA-N 2 0 213.369 1.092 20 0 BDADRP CSC[C@H](O)C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC001120485547 989666847 /nfs/dbraw/zinc/66/68/47/989666847.db2.gz OQVJSJYQYAOVFH-VXGBXAGGSA-N 2 0 246.420 1.030 20 0 BDADRP CC(C)(C)[C@@H]([NH3+])CC(=O)Nc1ccc(C[NH3+])cc1 ZINC001521519961 989727039 /nfs/dbraw/zinc/72/70/39/989727039.db2.gz UYPLKOPKZVJRMO-LBPRGKRZSA-N 2 0 249.358 1.847 20 0 BDADRP C[NH2+]CCCCC(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001523519229 989925296 /nfs/dbraw/zinc/92/52/96/989925296.db2.gz JLSIAUQQOUBDTI-LBPRGKRZSA-N 2 0 241.379 1.025 20 0 BDADRP C[C@@H](CCCC[NH3+])NC(=O)C[C@@H]([NH3+])C(C)(C)C ZINC001122022388 990193220 /nfs/dbraw/zinc/19/32/20/990193220.db2.gz RUQROQDHVVFAPK-WDEREUQCSA-N 2 0 243.395 1.384 20 0 BDADRP C[C@@H](C[NH3+])C(=O)N1C[C@H](CC[NH3+])c2ccccc21 ZINC001122110710 990245015 /nfs/dbraw/zinc/24/50/15/990245015.db2.gz WSHRKPCVKDVMAW-QWRGUYRKSA-N 2 0 247.342 1.060 20 0 BDADRP CC(C)(C)[C@H]([NH3+])C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001122221106 990297482 /nfs/dbraw/zinc/29/74/82/990297482.db2.gz QNJCKDPYNIKBOJ-GFCCVEGCSA-N 2 0 247.342 1.602 20 0 BDADRP C[NH2+]CCN(C(=O)[C@@H]([NH3+])CCC(C)C)C(C)C ZINC001122255851 990309182 /nfs/dbraw/zinc/30/91/82/990309182.db2.gz ZQDGPSWAKOXSGO-LBPRGKRZSA-N 2 0 243.395 1.206 20 0 BDADRP CC(C)C[C@@H]([NH3+])C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001122392593 990370123 /nfs/dbraw/zinc/37/01/23/990370123.db2.gz WNIZHNFITKBVGO-VXGBXAGGSA-N 2 0 241.379 1.008 20 0 BDADRP [NH3+]Cc1ccccc1NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC001122433774 990385191 /nfs/dbraw/zinc/38/51/91/990385191.db2.gz XDQGBLXYSRNVPB-CMPLNLGQSA-N 2 0 247.342 1.601 20 0 BDADRP CC(C)=CCC[C@@H](C)[NH2+]C[C@@H](O)C[NH3+] ZINC001258079929 990978919 /nfs/dbraw/zinc/97/89/19/990978919.db2.gz VXFZTPGNDFOOOW-MNOVXSKESA-N 2 0 200.326 1.031 20 0 BDADRP CC[C@H]([NH2+]C1CCN(C)CC1)[C@@H](O)C(F)F ZINC001308791302 991119479 /nfs/dbraw/zinc/11/94/79/991119479.db2.gz HKRBYDBWXQGCTB-VHSXEESVSA-N 2 0 236.306 1.075 20 0 BDADRP C[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1C[NH+]2CCC1CC2 ZINC001308966226 991230973 /nfs/dbraw/zinc/23/09/73/991230973.db2.gz QDWOOODDABYHDJ-RTXFEEFZSA-N 2 0 208.349 1.716 20 0 BDADRP CCC1(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)COC1 ZINC001202964013 991341667 /nfs/dbraw/zinc/34/16/67/991341667.db2.gz GQCIYKCOJWXWHS-CQSZACIVSA-N 2 0 238.375 1.441 20 0 BDADRP CO[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C1 ZINC001560055495 991365852 /nfs/dbraw/zinc/36/58/52/991365852.db2.gz BVHLQKKKNZAMSU-XJFOESAGSA-N 2 0 238.375 1.437 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)O1 ZINC001560186515 991404405 /nfs/dbraw/zinc/40/44/05/991404405.db2.gz ILOLHMPFQCTRCF-SYQHCUMBSA-N 2 0 238.375 1.437 20 0 BDADRP C[C@H](CC1CC1)N(CC[NH+](C)C)CC[NH+](C)C ZINC001258463055 991417504 /nfs/dbraw/zinc/41/75/04/991417504.db2.gz LJZDXSIRXNXGLE-CYBMUJFWSA-N 2 0 241.423 1.600 20 0 BDADRP C[N@H+](CCO)CCC[NH2+][C@@H]1CCC(C)(C)C1 ZINC001258599550 991502588 /nfs/dbraw/zinc/50/25/88/991502588.db2.gz DJQMROGHNTYZPH-GFCCVEGCSA-N 2 0 228.380 1.469 20 0 BDADRP C[C@H](Cc1cccnc1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC001258611164 991533809 /nfs/dbraw/zinc/53/38/09/991533809.db2.gz FYMRKYYJFLMOEI-UKRRQHHQSA-N 2 0 247.386 1.944 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)Cc1cccnc1 ZINC001258615419 991542705 /nfs/dbraw/zinc/54/27/05/991542705.db2.gz IDHKWBDFMNXZQD-QWRGUYRKSA-N 2 0 207.321 1.197 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2C[C@@H](C)[C@H](O)C2)CC1 ZINC001561021935 991691322 /nfs/dbraw/zinc/69/13/22/991691322.db2.gz BWHOJGQMMOXZBO-DGCLKSJQSA-N 2 0 226.364 1.031 20 0 BDADRP CC[NH+]1CCC([NH2+]CCC2CSC2)CC1 ZINC001561053662 991710050 /nfs/dbraw/zinc/71/00/50/991710050.db2.gz YLIPEEATMVAPBL-UHFFFAOYSA-N 2 0 228.405 1.813 20 0 BDADRP CCC[NH+]1CCC([NH2+]CC[C@@H](C)CO)CC1 ZINC001258769152 991730846 /nfs/dbraw/zinc/73/08/46/991730846.db2.gz CISSXCWBEYZLDO-GFCCVEGCSA-N 2 0 228.380 1.469 20 0 BDADRP CCC[NH+]1CCC([N@H+](CC)CCOC)CC1 ZINC001258771512 991735524 /nfs/dbraw/zinc/73/55/24/991735524.db2.gz GWBSFEGMYFYDKE-UHFFFAOYSA-N 2 0 228.380 1.829 20 0 BDADRP CCC[NH+]1CCC([N@@H+]2CCCO[C@H](C)C2)CC1 ZINC001258771678 991736317 /nfs/dbraw/zinc/73/63/17/991736317.db2.gz OEIGILDVRZNJNL-CYBMUJFWSA-N 2 0 240.391 1.972 20 0 BDADRP CCC[NH+]1CCC([N@@H+]2C[C@H](C)[C@H](O)C2)CC1 ZINC001258772013 991737609 /nfs/dbraw/zinc/73/76/09/991737609.db2.gz GCXCNLAGJISMCG-WCQYABFASA-N 2 0 226.364 1.173 20 0 BDADRP CCC[NH+]1CCC([N@@H+]2CCC[C@@H](O)C2)CC1 ZINC001258771628 991739980 /nfs/dbraw/zinc/73/99/80/991739980.db2.gz MEEDPGJKGGRRKE-CYBMUJFWSA-N 2 0 226.364 1.318 20 0 BDADRP CCC[NH+]1CCC(n2ncc3c2CC[NH2+]C3)CC1 ZINC001258772694 991742153 /nfs/dbraw/zinc/74/21/53/991742153.db2.gz XBMBUKNJZFIPMJ-UHFFFAOYSA-N 2 0 248.374 1.576 20 0 BDADRP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@@H](O)C[NH3+] ZINC001258779096 991743939 /nfs/dbraw/zinc/74/39/39/991743939.db2.gz SKBNZEHCZLEIND-AXFHLTTASA-N 2 0 202.342 1.110 20 0 BDADRP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@H](O)C[NH3+] ZINC001258779099 991745705 /nfs/dbraw/zinc/74/57/05/991745705.db2.gz SKBNZEHCZLEIND-HBNTYKKESA-N 2 0 202.342 1.110 20 0 BDADRP CC[C@@H](C)C[C@H](CC)[NH2+]CCN(C)CC[NH3+] ZINC001258783559 991759517 /nfs/dbraw/zinc/75/95/17/991759517.db2.gz FYPBKDSVHOMGCR-OLZOCXBDSA-N 2 0 229.412 1.681 20 0 BDADRP Cc1cc(CNC[C@@H]2C[NH+]3CCC2CC3)on1 ZINC001474735785 991789037 /nfs/dbraw/zinc/78/90/37/991789037.db2.gz UWXULERXJITSMQ-GFCCVEGCSA-N 2 0 235.331 1.414 20 0 BDADRP CC1CC([NH2+]C[C@H]2C[NH+]3CCC2CC3)C1 ZINC001474735009 991797584 /nfs/dbraw/zinc/79/75/84/991797584.db2.gz IONCZGKRAMXOJZ-YDGIUTOCSA-N 2 0 208.349 1.716 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C[C@H]1CCO1 ZINC001258899020 991891810 /nfs/dbraw/zinc/89/18/10/991891810.db2.gz BBISKNYSOSTDKO-QWHCGFSZSA-N 2 0 228.380 1.875 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+]CC1COC1 ZINC001258897708 991892676 /nfs/dbraw/zinc/89/26/76/991892676.db2.gz NTTXJOOTUBISAX-LBPRGKRZSA-N 2 0 228.380 1.733 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@@H](O)C1 ZINC001258907840 991897756 /nfs/dbraw/zinc/89/77/56/991897756.db2.gz NIGDOLYNJJUFIC-CHWSQXEVSA-N 2 0 228.380 1.564 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@H]1CO ZINC001258910755 991898974 /nfs/dbraw/zinc/89/89/74/991898974.db2.gz UPKJGSPADMMTFQ-KBPBESRZSA-N 2 0 242.407 1.954 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@H](O)C[C@H]1C ZINC001258908642 991900293 /nfs/dbraw/zinc/90/02/93/991900293.db2.gz ZJDZUNCLSQKLAG-MGPQQGTHSA-N 2 0 242.407 1.952 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC001258909368 991901332 /nfs/dbraw/zinc/90/13/32/991901332.db2.gz DIJXSAWTJPOAJJ-MJBXVCDLSA-N 2 0 242.407 1.810 20 0 BDADRP CCCC[N@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001570734463 992516537 /nfs/dbraw/zinc/51/65/37/992516537.db2.gz UZNPFAORGQFYQU-LBPRGKRZSA-N 2 0 243.395 1.175 20 0 BDADRP COC[C@@H](C)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001261849760 992544231 /nfs/dbraw/zinc/54/42/31/992544231.db2.gz OHBGPTVDLQUDCN-GFCCVEGCSA-N 2 0 226.364 1.487 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC001262201701 992798069 /nfs/dbraw/zinc/79/80/69/992798069.db2.gz CUZAXYFDIVNSFS-XJFOESAGSA-N 2 0 240.391 1.779 20 0 BDADRP CS[C@H]1C[C@H]([NH2+]CC2CC[NH2+]CC2)C1 ZINC001574096306 992805578 /nfs/dbraw/zinc/80/55/78/992805578.db2.gz FWRLBSIZMJJVQK-XYPYZODXSA-N 2 0 214.378 1.470 20 0 BDADRP CC[NH+]1CCC(Nc2nc(N)cc(C)[nH+]2)CC1 ZINC001262354926 992855290 /nfs/dbraw/zinc/85/52/90/992855290.db2.gz CELCCMCETVQPFM-UHFFFAOYSA-N 2 0 235.335 1.263 20 0 BDADRP C([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CCC2(C[NH2+]C2)O1 ZINC001574794703 992906861 /nfs/dbraw/zinc/90/68/61/992906861.db2.gz IHDVCIVBFFNNMC-MROQNXINSA-N 2 0 236.359 1.286 20 0 BDADRP C1CC12CCC[C@@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001574795950 992911501 /nfs/dbraw/zinc/91/15/01/992911501.db2.gz QUXYNHBCSOGVBI-KXNHARMFSA-N 2 0 206.333 1.802 20 0 BDADRP C(CN1CC[NH2+]CC1)[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001574801656 992912750 /nfs/dbraw/zinc/91/27/50/992912750.db2.gz USTIABJVVPFORC-BTTYYORXSA-N 2 0 237.391 1.060 20 0 BDADRP C([NH2+][C@@H]1C[C@@H]2CCC[C@H]12)[C@H]1[C@@H]2C[NH2+]C[C@H]12 ZINC001574816392 992917814 /nfs/dbraw/zinc/91/78/14/992917814.db2.gz DMEFKSFECXCIBO-DVWMECQTSA-N 2 0 206.333 1.230 20 0 BDADRP C([NH2+][C@H]1C[C@@H]2COC[C@@H]21)[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001574817087 992922063 /nfs/dbraw/zinc/92/20/63/992922063.db2.gz QSWFLOYIKQYACL-PRFQISJJSA-N 2 0 236.359 1.142 20 0 BDADRP C/C(=C\c1ccccc1)C[N@H+](C)CCOCC[NH3+] ZINC001574980973 992958129 /nfs/dbraw/zinc/95/81/29/992958129.db2.gz WQKMALDCSDSYOM-WYMLVPIESA-N 2 0 248.370 1.997 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])C[NH2+]C[C@@H]1COCO1 ZINC001575130087 992992912 /nfs/dbraw/zinc/99/29/12/992992912.db2.gz FIBKUAMLQZKHDZ-GHMZBOCLSA-N 2 0 230.352 1.103 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC001575130437 992993098 /nfs/dbraw/zinc/99/30/98/992993098.db2.gz MIIBQSLEUKJFBT-UPJWGTAASA-N 2 0 239.407 1.291 20 0 BDADRP CC(C)(C)[NH2+]CC(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001575141057 992994828 /nfs/dbraw/zinc/99/48/28/992994828.db2.gz LHNKUFFRQGNBGS-LLVKDONJSA-N 2 0 241.379 1.023 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])C[NH2+]CCC1(CO)CC1 ZINC001575130254 992995104 /nfs/dbraw/zinc/99/51/04/992995104.db2.gz HUXDNEYTLHEOPG-LBPRGKRZSA-N 2 0 242.407 1.892 20 0 BDADRP CC(C)(C)OC1CC([NH2+][C@H]2C[C@H]([NH3+])C2)C1 ZINC001575246492 993000926 /nfs/dbraw/zinc/00/09/26/993000926.db2.gz IWWKAWIQXUSJLL-YMJNLTAUSA-N 2 0 212.337 1.412 20 0 BDADRP CC(C)(C)O[C@H]1C[C@H]([NH2+]C2CC3(C[C@H]3[NH3+])C2)C1 ZINC001575251972 993001607 /nfs/dbraw/zinc/00/16/07/993001607.db2.gz FSWJUGLHKWZFOD-BCXZHAGTSA-N 2 0 238.375 1.802 20 0 BDADRP CC(C)(C[NH3+])C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC001575315338 993009816 /nfs/dbraw/zinc/00/98/16/993009816.db2.gz NUDJJSSQBVFFEU-WCQYABFASA-N 2 0 226.364 1.066 20 0 BDADRP CC(C)[C@@](C)(C[NH3+])NC(=O)CCCC[NH+](C)C ZINC001575410399 993037001 /nfs/dbraw/zinc/03/70/01/993037001.db2.gz OVOPFUUMDMDYMB-CYBMUJFWSA-N 2 0 243.395 1.208 20 0 BDADRP CC(C)C(C[NH2+]C[C@]1(O)CC[NH2+]C1)C(C)C ZINC001575435007 993040454 /nfs/dbraw/zinc/04/04/54/993040454.db2.gz UIWHAVWZFXHFAY-ZDUSSCGKSA-N 2 0 228.380 1.229 20 0 BDADRP CC(C)[C@H](C[NH3+])C[N@H+](C)C1CCS(=O)CC1 ZINC001575422208 993042485 /nfs/dbraw/zinc/04/24/85/993042485.db2.gz FSOLSQJKSRTRPN-OPGSHWCFSA-N 2 0 246.420 1.060 20 0 BDADRP CC(C)C1(O)CC[NH+](C[C@]23C[C@H]2C[NH2+]C3)CC1 ZINC001575496516 993055875 /nfs/dbraw/zinc/05/58/75/993055875.db2.gz PCPCHQNIPAGNSX-QWHCGFSZSA-N 2 0 238.375 1.079 20 0 BDADRP CC(C)[C@]1(CO)CC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC001575495906 993057431 /nfs/dbraw/zinc/05/74/31/993057431.db2.gz GUBOSWHMSFHKQC-HZSPNIEDSA-N 2 0 240.391 1.182 20 0 BDADRP CC(C)C[C@H](CO)[N@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC001575546134 993069883 /nfs/dbraw/zinc/06/98/83/993069883.db2.gz SXNXCXWMHICNKB-FRRDWIJNSA-N 2 0 228.380 1.181 20 0 BDADRP CC(C)CC[C@H](C)[NH2+]C[C@]1(O)CC[NH2+]C1 ZINC001575555691 993071864 /nfs/dbraw/zinc/07/18/64/993071864.db2.gz SNFGMNUVXCEYAJ-RYUDHWBXSA-N 2 0 214.353 1.125 20 0 BDADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001263063333 993095596 /nfs/dbraw/zinc/09/55/96/993095596.db2.gz SMAVNHPFVVPCMI-VXGBXAGGSA-N 2 0 243.395 1.062 20 0 BDADRP CC(C)[C@@H]1C[C@H]1C[NH2+]CC1(C[NH3+])CCC1 ZINC001575829223 993109835 /nfs/dbraw/zinc/10/98/35/993109835.db2.gz XIFPHBMMPRMAML-RYUDHWBXSA-N 2 0 210.365 1.997 20 0 BDADRP CC(C)C[C@](C)(C[NH3+])C(=O)N[C@H](C)CCC[NH3+] ZINC001263108921 993119178 /nfs/dbraw/zinc/11/91/78/993119178.db2.gz KAVZMNXSMUMIRD-DGCLKSJQSA-N 2 0 243.395 1.241 20 0 BDADRP C[C@@H](CC(C)(C)C)[NH2+]C[C@]1(O)CC[NH2+]C1 ZINC001575920550 993126307 /nfs/dbraw/zinc/12/63/07/993126307.db2.gz ANTPJODKSSZHMK-JQWIXIFHSA-N 2 0 214.353 1.125 20 0 BDADRP C[C@H](CCn1cccn1)[NH2+][C@@H](C)CCCC[NH3+] ZINC001575943480 993136340 /nfs/dbraw/zinc/13/63/40/993136340.db2.gz XCSNWVOEWQAQPR-QWHCGFSZSA-N 2 0 238.379 1.769 20 0 BDADRP C[C@@H](CC[NH+](C)C)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC001575951980 993136694 /nfs/dbraw/zinc/13/66/94/993136694.db2.gz AQOXASYLDFZGQV-QWRGUYRKSA-N 2 0 243.395 1.064 20 0 BDADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@H](C)CC[NH+](C)C ZINC001575954333 993138005 /nfs/dbraw/zinc/13/80/05/993138005.db2.gz SEMWMJSWWSINPM-VXGBXAGGSA-N 2 0 243.395 1.064 20 0 BDADRP C[C@H](C[NH+]1CCCCC1)NCC12CC(C1)C[NH2+]2 ZINC001576008555 993157570 /nfs/dbraw/zinc/15/75/70/993157570.db2.gz QZTKAWNYRWBLHP-IYXRBSQSSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@@H]([NH3+])C[N@H+](C)CCCCCn1cccn1 ZINC001576150264 993192897 /nfs/dbraw/zinc/19/28/97/993192897.db2.gz WTCOQQUAFPWRJE-GFCCVEGCSA-N 2 0 224.352 1.332 20 0 BDADRP C[C@@H]([NH3+])CN1C[C@H]2COC[C@@]2(c2ccccc2)C1 ZINC001576157609 993197925 /nfs/dbraw/zinc/19/79/25/993197925.db2.gz SUWXATIFLWEZNG-VHDGCEQUSA-N 2 0 246.354 1.234 20 0 BDADRP C[C@H]([NH2+]C(C)(C)C[NH3+])[C@@H]1CCCCO1 ZINC001576234349 993222754 /nfs/dbraw/zinc/22/27/54/993222754.db2.gz WCAFLTIWYIKDHS-UWVGGRQHSA-N 2 0 200.326 1.271 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1COC(C)(C)O1 ZINC001576239545 993225920 /nfs/dbraw/zinc/22/59/20/993225920.db2.gz PGUHSEDDUVECDJ-IRCOFANPSA-N 2 0 242.363 1.386 20 0 BDADRP C[C@H]([NH2+]CC1([NH3+])CCCC1)[C@H]1COC(C)(C)O1 ZINC001576244250 993228005 /nfs/dbraw/zinc/22/80/05/993228005.db2.gz JJMXDJIJOSYIRG-WDEREUQCSA-N 2 0 242.363 1.388 20 0 BDADRP C[C@@H]([NH2+][C@]12CCC[C@H]1[NH2+]CC2)[C@@H]1CCOC1 ZINC001576251596 993231653 /nfs/dbraw/zinc/23/16/53/993231653.db2.gz MJAXBSVLEMINRZ-LPWJVIDDSA-N 2 0 224.348 1.286 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])[C@H]1COC(C)(C)O1 ZINC001576252094 993231893 /nfs/dbraw/zinc/23/18/93/993231893.db2.gz PJOWMAYFJDQZKP-DDHJBXDOSA-N 2 0 242.363 1.386 20 0 BDADRP C[C@@](O)(C[NH3+])C[N@@H+]1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1 ZINC001576260350 993236778 /nfs/dbraw/zinc/23/67/78/993236778.db2.gz UUILHKGNCJJZCU-MEBFFEOJSA-N 2 0 238.375 1.064 20 0 BDADRP C[C@H](O)[C@@H]1CCC[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001576269058 993245405 /nfs/dbraw/zinc/24/54/05/993245405.db2.gz LCHHLGFCIIPNAK-WUHRBBMRSA-N 2 0 226.364 1.207 20 0 BDADRP CC1(C)[C@H](C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)C1(F)F ZINC001576384046 993289431 /nfs/dbraw/zinc/28/94/31/993289431.db2.gz SUMOEZPIDUCDTK-DJLDLDEBSA-N 2 0 232.318 1.993 20 0 BDADRP [NH3+]C[C@@H]1CCCC[N@@H+]([C@@H]2CCCSC2)C1 ZINC000379936047 993296219 /nfs/dbraw/zinc/29/62/19/993296219.db2.gz XIHSAGLUKUFPAT-NWDGAFQWSA-N 2 0 228.405 1.943 20 0 BDADRP CC1(C)OC[C@H]2C[C@]21[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001576495497 993321878 /nfs/dbraw/zinc/32/18/78/993321878.db2.gz PTHGDMFTQMXTIL-WZRBSPASSA-N 2 0 224.348 1.143 20 0 BDADRP C[C@@H]1[C@@H](CO)CC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001576571906 993347879 /nfs/dbraw/zinc/34/78/79/993347879.db2.gz HDMIDCMIDHVLJW-FRRDWIJNSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H]1[C@H](CO)CC[N@@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC001576574816 993351505 /nfs/dbraw/zinc/35/15/05/993351505.db2.gz YUIDATYYBBHZBL-UPJWGTAASA-N 2 0 226.364 1.079 20 0 BDADRP C[C@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H]2CO)CC[NH2+]1 ZINC001576596881 993361462 /nfs/dbraw/zinc/36/14/62/993361462.db2.gz BLQQEUQLYRFSMZ-UMSGYPCISA-N 2 0 226.364 1.125 20 0 BDADRP CC[NH+](CC)C[C@H](O)C[N@H+](C)CC(C)(C)C ZINC000381059009 993366341 /nfs/dbraw/zinc/36/63/41/993366341.db2.gz KJFZXWUSMQRNNM-GFCCVEGCSA-N 2 0 230.396 1.667 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]2c2cnn(C)c2)CC[NH2+]1 ZINC001576623987 993372527 /nfs/dbraw/zinc/37/25/27/993372527.db2.gz NTTSYJCZQXZYJB-UVLXDEKHSA-N 2 0 248.374 1.254 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C2CC3(CC([NH3+])C3)C2)[C@@H](C)O1 ZINC001576622887 993372813 /nfs/dbraw/zinc/37/28/13/993372813.db2.gz HUFHNXVPICYBCB-FCVRJFRSSA-N 2 0 224.348 1.412 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]2c2cnn(C)c2)CC[NH2+]1 ZINC001576623988 993374171 /nfs/dbraw/zinc/37/41/71/993374171.db2.gz NTTSYJCZQXZYJB-ZMJPVWNMSA-N 2 0 248.374 1.254 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCN1C1CC[NH+](C2CC2)CC1 ZINC000381237093 993379922 /nfs/dbraw/zinc/37/99/22/993379922.db2.gz LAMZKNGFYPGKEO-ZWNOBZJWSA-N 2 0 223.364 1.035 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+]C2CC3(C[C@@H]3[NH3+])C2)O1 ZINC001576649972 993384868 /nfs/dbraw/zinc/38/48/68/993384868.db2.gz JHAAKXHMIMDQGS-NVTCQJSQSA-N 2 0 210.321 1.023 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C[C@H]1CO ZINC001576728988 993405813 /nfs/dbraw/zinc/40/58/13/993405813.db2.gz BKTZFCILYQWLCP-MCIONIFRSA-N 2 0 240.391 1.326 20 0 BDADRP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC[C@H]1CCC[N@@H+]1C ZINC001576750093 993413890 /nfs/dbraw/zinc/41/38/90/993413890.db2.gz VGOAHIBOAQYHEQ-YVECIDJPSA-N 2 0 225.380 1.057 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C[C@@H]1CCC[NH2+]C1 ZINC001576806095 993427475 /nfs/dbraw/zinc/42/74/75/993427475.db2.gz BGTBJKWNSHSIJM-YNEHKIRRSA-N 2 0 225.380 1.010 20 0 BDADRP C[C@H]1C[NH2+]C[C@H](NCc2cc(N(C)C)cc[nH+]2)C1 ZINC001576849893 993431894 /nfs/dbraw/zinc/43/18/94/993431894.db2.gz MGUCACKZXXZKFB-VXGBXAGGSA-N 2 0 248.374 1.235 20 0 BDADRP C[C@H]1Cc2cc(C[NH2+]C3CC([NH3+])C3)ccc2O1 ZINC001576863006 993439030 /nfs/dbraw/zinc/43/90/30/993439030.db2.gz RMRPEZFNKTXVII-ALXWSUNGSA-N 2 0 232.327 1.589 20 0 BDADRP C[C@@H]1CSC[C@@H]1[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC001576860046 993439224 /nfs/dbraw/zinc/43/92/24/993439224.db2.gz FHZIBRVLJXHMOT-ZNSHCXBVSA-N 2 0 214.378 1.183 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H](Nc2ccc3c([nH+]2)CCC3)C1 ZINC000382455513 993462084 /nfs/dbraw/zinc/46/20/84/993462084.db2.gz IWIAQTPNMKBZKO-VXGBXAGGSA-N 2 0 231.343 1.674 20 0 BDADRP CC[C@H](C)[C@@H](CN(C)[C@H](C)C[NH3+])OC ZINC001576960021 993467099 /nfs/dbraw/zinc/46/70/99/993467099.db2.gz AEHDZVBGVMGXJI-HBNTYKKESA-N 2 0 202.342 1.327 20 0 BDADRP CC[C@H](C)[C@H](CN(C)[C@H](C)C[NH3+])OC ZINC001576960018 993467991 /nfs/dbraw/zinc/46/79/91/993467991.db2.gz AEHDZVBGVMGXJI-AXFHLTTASA-N 2 0 202.342 1.327 20 0 BDADRP CC[C@@](C)(O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001576961398 993470403 /nfs/dbraw/zinc/47/04/03/993470403.db2.gz UQGNWKDOWVKMJU-GFCCVEGCSA-N 2 0 226.364 1.223 20 0 BDADRP CC[C@H](C)C[C@@H](CO)[NH2+]C[C@H]([NH3+])CC(F)F ZINC001576971903 993478275 /nfs/dbraw/zinc/47/82/75/993478275.db2.gz RVULCRRMSLTDKS-AEJSXWLSSA-N 2 0 238.322 1.356 20 0 BDADRP CCC(CC)(C[NH3+])C[NH+]1CC(C(C)(C)O)C1 ZINC001577050808 993490255 /nfs/dbraw/zinc/49/02/55/993490255.db2.gz FUTKXUUSXXKYIM-UHFFFAOYSA-N 2 0 228.380 1.454 20 0 BDADRP CCC(CC)CCC[N@H+](C)C[C@@](C)(O)C[NH3+] ZINC001577069840 993492859 /nfs/dbraw/zinc/49/28/59/993492859.db2.gz VUWVMXUKYLXBPJ-ZDUSSCGKSA-N 2 0 230.396 1.844 20 0 BDADRP CCC(CC)(CO)C[NH2+]C[C@H]([NH3+])CC(F)F ZINC001577059863 993492905 /nfs/dbraw/zinc/49/29/05/993492905.db2.gz HIIYAVPJPJGEBQ-SECBINFHSA-N 2 0 238.322 1.357 20 0 BDADRP CCC(CC)[N@H+](CC)C[C@H](O)CC[NH3+] ZINC001577069702 993493537 /nfs/dbraw/zinc/49/35/37/993493537.db2.gz RRKWGMYELPBLEZ-LLVKDONJSA-N 2 0 202.342 1.207 20 0 BDADRP CC[C@@H]([NH3+])CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001577115303 993508075 /nfs/dbraw/zinc/50/80/75/993508075.db2.gz MCTNOFHYXDDOHT-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP CC[C@@H]([NH2+]C[C@H]1C[NH2+]C[C@H]1O)C1CCCC1 ZINC001577176301 993533312 /nfs/dbraw/zinc/53/33/12/993533312.db2.gz YKMCEAJHAUBZNE-JHJVBQTASA-N 2 0 226.364 1.125 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]([NH3+])CCOC)C1CC1 ZINC001577175646 993533799 /nfs/dbraw/zinc/53/37/99/993533799.db2.gz DOQMAELCNAZAOA-QWRGUYRKSA-N 2 0 200.326 1.128 20 0 BDADRP CCC1(C[NH2+][C@H]2C[C@H]([NH3+])C2)CCOCC1 ZINC001577220807 993546185 /nfs/dbraw/zinc/54/61/85/993546185.db2.gz NNZCGGZKNDVJQL-XYPYZODXSA-N 2 0 212.337 1.273 20 0 BDADRP CC[C@@]1([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)CCOC1 ZINC001577234214 993550759 /nfs/dbraw/zinc/55/07/59/993550759.db2.gz YBFVQXFELFIWOD-QJPTWQEYSA-N 2 0 212.337 1.273 20 0 BDADRP CC[C@@H]1CCC[C@H]([NH2+]C[C@]2(O)CC[NH2+]C2)C1 ZINC001577246885 993561299 /nfs/dbraw/zinc/56/12/99/993561299.db2.gz VKVXHCNFAYLUBW-AGIUHOORSA-N 2 0 226.364 1.269 20 0 BDADRP CC[C@@H]1CC[N@H+](C[C@](C)(O)C[NH2+]C)[C@@H]1C ZINC001577263655 993568285 /nfs/dbraw/zinc/56/82/85/993568285.db2.gz UHOPAEKCMRLELB-IJLUTSLNSA-N 2 0 214.353 1.077 20 0 BDADRP CCC[C@H]1C[NH2+]CCN1C[C@H]1CCC[N@@H+]1C ZINC001577385258 993632084 /nfs/dbraw/zinc/63/20/84/993632084.db2.gz IAEVZKLQOWCBDZ-QWHCGFSZSA-N 2 0 225.380 1.155 20 0 BDADRP CCC[C@]1(COC)CCC[N@@H+]1CCC[NH2+]C ZINC001577374599 993634449 /nfs/dbraw/zinc/63/44/49/993634449.db2.gz ANDQLUIHNQKNOE-CYBMUJFWSA-N 2 0 228.380 1.877 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC001577410525 993649815 /nfs/dbraw/zinc/64/98/15/993649815.db2.gz MELMBJAKKOUUAT-RYUDHWBXSA-N 2 0 241.379 1.104 20 0 BDADRP CCCC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC001577410524 993651019 /nfs/dbraw/zinc/65/10/19/993651019.db2.gz MELMBJAKKOUUAT-NWDGAFQWSA-N 2 0 241.379 1.104 20 0 BDADRP CCC[N@H+](CCC[NH+](C)C)C[C@H]1C[C@@H]([NH3+])C1 ZINC001577519178 993674661 /nfs/dbraw/zinc/67/46/61/993674661.db2.gz HXQHNMMSVDNHFJ-BETUJISGSA-N 2 0 227.396 1.387 20 0 BDADRP CCC[N@@H+]1CCC[C@H]1CNCC1(C[NH3+])CCC1 ZINC001577535666 993680953 /nfs/dbraw/zinc/68/09/53/993680953.db2.gz FTAXRGZJQPAHCF-ZDUSSCGKSA-N 2 0 239.407 1.579 20 0 BDADRP CCC[N@@H+]1CC[C@H](NCC(C)(C)C[NH3+])C1 ZINC001577533759 993681917 /nfs/dbraw/zinc/68/19/17/993681917.db2.gz JOEAIRCYRQSSGF-NSHDSACASA-N 2 0 213.369 1.045 20 0 BDADRP CC[NH+]1CCC(n2cncc2CC[NH3+])CC1 ZINC000387379574 993707700 /nfs/dbraw/zinc/70/77/00/993707700.db2.gz NDWYYOJRUYWPRT-UHFFFAOYSA-N 2 0 222.336 1.041 20 0 BDADRP CC[N@H+](C)[C@H]1CCN(CCC[NH2+]C2CC2)C1 ZINC001577655175 993710004 /nfs/dbraw/zinc/71/00/04/993710004.db2.gz UPHCPCDUUOBWAO-ZDUSSCGKSA-N 2 0 225.380 1.155 20 0 BDADRP CC[N@@H+]1CC[C@@H](N[C@@H]2CCC[NH+](C)CC2)C1 ZINC000389556273 993746780 /nfs/dbraw/zinc/74/67/80/993746780.db2.gz RQDSKVAODQWHBR-CHWSQXEVSA-N 2 0 225.380 1.155 20 0 BDADRP [NH3+]C[C@H]1CCCC[N@@H+](C2CCSCC2)C1 ZINC000389752616 993763606 /nfs/dbraw/zinc/76/36/06/993763606.db2.gz ZKOPMGLBMGTVFG-LLVKDONJSA-N 2 0 228.405 1.943 20 0 BDADRP C[C@H](O)[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000700785188 993850704 /nfs/dbraw/zinc/85/07/04/993850704.db2.gz CNPYVRJUUMGGJZ-SRVKXCTJSA-N 2 0 214.353 1.077 20 0 BDADRP CCOC1CCC([NH2+]CCCC[NH3+])CC1 ZINC000701142268 993871950 /nfs/dbraw/zinc/87/19/50/993871950.db2.gz GQJQZYRPJBZBNF-UHFFFAOYSA-N 2 0 214.353 1.663 20 0 BDADRP Cc1cc(C[NH2+]CC2=CC[N@H+](C)CC2)n(C)n1 ZINC000392772484 993881446 /nfs/dbraw/zinc/88/14/46/993881446.db2.gz SQYJKWGDOUOYAG-UHFFFAOYSA-N 2 0 234.347 1.080 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000702217692 993970907 /nfs/dbraw/zinc/97/09/07/993970907.db2.gz XBJVYZZQRKFBSC-CHWFTXMASA-N 2 0 200.326 1.127 20 0 BDADRP CC1CC([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC001332395049 994069729 /nfs/dbraw/zinc/06/97/29/994069729.db2.gz DRWKRJCXFAERDM-WXRRBKDZSA-N 2 0 238.375 1.533 20 0 BDADRP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)C(C)C)[NH+](C)C ZINC001282462266 994240316 /nfs/dbraw/zinc/24/03/16/994240316.db2.gz TWHRGGUKBUPQQD-NEPJUHHUSA-N 2 0 243.395 1.172 20 0 BDADRP C[C@H]([NH3+])CN1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC001334337457 994586318 /nfs/dbraw/zinc/58/63/18/994586318.db2.gz JVZDTKYTFWCROP-QWHCGFSZSA-N 2 0 239.407 1.435 20 0 BDADRP C[N@@H+]1CCCC[C@@H](CNc2nccnc2C[NH3+])C1 ZINC001337238265 995154718 /nfs/dbraw/zinc/15/47/18/995154718.db2.gz WGUMWCMPHVELFK-NSHDSACASA-N 2 0 249.362 1.079 20 0 BDADRP C[C@H]1OCC[C@@H]1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001307989853 995517609 /nfs/dbraw/zinc/51/76/09/995517609.db2.gz VLCFXRWZLTUUQN-SYQHCUMBSA-N 2 0 238.375 1.295 20 0 BDADRP CCN1C[C@H]([NH2+][C@@H]2CCO[C@@H]2C)[C@@H](C)C1 ZINC000378685714 346808049 /nfs/dbraw/zinc/80/80/49/346808049.db2.gz DROXZQAYZMKXPP-QCNOEVLYSA-N 2 0 212.337 1.094 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCC1(O)CCC1 ZINC000643488734 398144930 /nfs/dbraw/zinc/14/49/30/398144930.db2.gz LIGBMHVVOMMVQQ-NEPJUHHUSA-N 2 0 226.364 1.541 20 0 BDADRP CC[C@@H]([NH3+])C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000563201403 398146478 /nfs/dbraw/zinc/14/64/78/398146478.db2.gz UDIVDUDBZVDEGY-SDDRHHMPSA-N 2 0 241.379 1.103 20 0 BDADRP COC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000422939742 398158599 /nfs/dbraw/zinc/15/85/99/398158599.db2.gz RNRJZSUDMKAEQG-WXHSDQCUSA-N 2 0 226.364 1.389 20 0 BDADRP C[N@H+](C[C@]1(C)CC[NH2+]C1)C1CCOCC1 ZINC000062911282 349495991 /nfs/dbraw/zinc/49/59/91/349495991.db2.gz ZZILMEWCPCWUTH-GFCCVEGCSA-N 2 0 212.337 1.097 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062980224 349503438 /nfs/dbraw/zinc/50/34/38/349503438.db2.gz NJSSGJDKAKSUAZ-ZIAGYGMSSA-N 2 0 237.391 1.156 20 0 BDADRP COC1(CC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000379838834 398173792 /nfs/dbraw/zinc/17/37/92/398173792.db2.gz FXIMTBPKXJMTFF-RYUDHWBXSA-N 2 0 224.348 1.097 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC1([C@@H](C)CCO)CCC1 ZINC000423019853 398160996 /nfs/dbraw/zinc/16/09/96/398160996.db2.gz XLUSTZMQCUQUIU-AVGNSLFASA-N 2 0 242.407 1.891 20 0 BDADRP OC[C@@H](CC1CCCC1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000423022697 398162282 /nfs/dbraw/zinc/16/22/82/398162282.db2.gz IEXIUSZEVLFIDS-ZIAGYGMSSA-N 2 0 240.391 1.659 20 0 BDADRP CCc1nnc([C@@H](C)[NH2+][C@H](C)CCCC[NH3+])[nH]1 ZINC000423021511 398162724 /nfs/dbraw/zinc/16/27/24/398162724.db2.gz FNDSFGJYUILOJZ-NXEZZACHSA-N 2 0 239.367 1.535 20 0 BDADRP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]CCC[NH3+] ZINC000423174790 398164046 /nfs/dbraw/zinc/16/40/46/398164046.db2.gz BWPWXKSEWYOOMQ-GFCCVEGCSA-N 2 0 249.358 1.366 20 0 BDADRP C[N@@H+]1CCCC12CC[NH+](CC(C)(C)O)CC2 ZINC000334196442 398193942 /nfs/dbraw/zinc/19/39/42/398193942.db2.gz MULGIBWKGLLTHB-UHFFFAOYSA-N 2 0 226.364 1.318 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC2=CCCOC2)CC[NH2+]1 ZINC000647796805 398201609 /nfs/dbraw/zinc/20/16/09/398201609.db2.gz OELRMJXWCFKDOE-CMPLNLGQSA-N 2 0 210.321 1.063 20 0 BDADRP CC(C)C[NH+]1CCN([C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000162661000 538923935 /nfs/dbraw/zinc/92/39/35/538923935.db2.gz JDZKZGHUUBDPBS-KGLIPLIRSA-N 2 0 239.407 1.401 20 0 BDADRP Cc1cc(N2C[C@H](C[NH3+])C[C@@H]2C)cc[nH+]1 ZINC000229577317 178122581 /nfs/dbraw/zinc/12/25/81/178122581.db2.gz LVTRFQZWDAERJB-QWRGUYRKSA-N 2 0 205.305 1.564 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@@H]2CCCOC2)C1 ZINC000082581087 136221712 /nfs/dbraw/zinc/22/17/12/136221712.db2.gz HWLYQCBYACABFC-OLZOCXBDSA-N 2 0 226.364 1.344 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCS[C@@H]1C ZINC000647803990 398214528 /nfs/dbraw/zinc/21/45/28/398214528.db2.gz GZZHWQWQBMSZBN-OSUNSFLBSA-N 2 0 244.404 1.222 20 0 BDADRP C[C@H]([NH2+]CC1CCC(F)CC1)C1C[NH2+]C1 ZINC000647803995 398214634 /nfs/dbraw/zinc/21/46/34/398214634.db2.gz HFPCJWGHMLZJFI-BMQDGWLCSA-N 2 0 214.328 1.712 20 0 BDADRP Cc1cc(C)n(CC[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000386750721 398219227 /nfs/dbraw/zinc/21/92/27/398219227.db2.gz GLZVNXHCCAOQHT-CHWSQXEVSA-N 2 0 236.363 1.169 20 0 BDADRP C[C@@H]1C[C@@H](N(C)C[C@@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000649413860 398211812 /nfs/dbraw/zinc/21/18/12/398211812.db2.gz NRBMPSOFPVMPGS-UPJWGTAASA-N 2 0 225.380 1.010 20 0 BDADRP Cc1cc(C)n(CC[NH2+][C@@H]2CCCC[C@H]2[NH3+])n1 ZINC000649420909 398223295 /nfs/dbraw/zinc/22/32/95/398223295.db2.gz RRPPTRLWZYGUKQ-CHWSQXEVSA-N 2 0 236.363 1.359 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@]1(CC)CO ZINC000191895039 361776631 /nfs/dbraw/zinc/77/66/31/361776631.db2.gz ZOHRRTDLSRIREZ-CQSZACIVSA-N 2 0 242.407 1.955 20 0 BDADRP CC[C@H]([NH3+])C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000430764840 398230981 /nfs/dbraw/zinc/23/09/81/398230981.db2.gz UDIVDUDBZVDEGY-WOPDTQHZSA-N 2 0 241.379 1.103 20 0 BDADRP C[C@H]1C[C@H](N(C)C2CC[NH+](C)CC2)CC[NH2+]1 ZINC000229539060 538939735 /nfs/dbraw/zinc/93/97/35/538939735.db2.gz KBXISIOZTSHBLY-WCQYABFASA-N 2 0 225.380 1.153 20 0 BDADRP CC[N@@H+]1CCC[C@H](N[C@H]2CCC[NH2+]CC2)C1 ZINC000252793263 136226855 /nfs/dbraw/zinc/22/68/55/136226855.db2.gz WWOYQSKTVRKWQE-STQMWFEESA-N 2 0 225.380 1.202 20 0 BDADRP CC[C@@](C)(C[NH2+][C@H](C)CC[NH+](C)C)OC ZINC000379987133 398243364 /nfs/dbraw/zinc/24/33/64/398243364.db2.gz VQRJWHUCUOGPMX-NEPJUHHUSA-N 2 0 216.369 1.731 20 0 BDADRP COC[C@H](C)C[NH+]1CCC(C)([NH3+])CC1 ZINC000380090705 398244164 /nfs/dbraw/zinc/24/41/64/398244164.db2.gz ITTJCVDWCYOAPS-SNVBAGLBSA-N 2 0 200.326 1.082 20 0 BDADRP C[C@H](CO)[N@H+](C)CCC[NH+]1CCCCC1 ZINC000162052476 349539151 /nfs/dbraw/zinc/53/91/51/349539151.db2.gz AWNVHPUQAJLVAR-GFCCVEGCSA-N 2 0 214.353 1.175 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCC1(C)C ZINC000379912573 365641286 /nfs/dbraw/zinc/64/12/86/365641286.db2.gz NTMQMCVTNHJNIH-WDEREUQCSA-N 2 0 214.353 1.077 20 0 BDADRP C[C@@H]1C[C@H]1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000381543971 398262763 /nfs/dbraw/zinc/26/27/63/398262763.db2.gz JIIGLTRAFJCVOM-FRRDWIJNSA-N 2 0 208.349 1.718 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCn2ccnc2)C1 ZINC000162096307 349562871 /nfs/dbraw/zinc/56/28/71/349562871.db2.gz JHFWVYXDCIGXDJ-ZDUSSCGKSA-N 2 0 236.363 1.157 20 0 BDADRP CCOC[C@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000162139545 349574218 /nfs/dbraw/zinc/57/42/18/349574218.db2.gz IHPXWKKVGKMWRH-KBPBESRZSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2cccc(N)c2)C[C@H]1C[NH3+] ZINC000335610921 136236987 /nfs/dbraw/zinc/23/69/87/136236987.db2.gz HCAXYXNUHMOGFA-DGCLKSJQSA-N 2 0 233.359 1.686 20 0 BDADRP CCC(CC)[NH2+]C[C@@H](C)N1CC[NH+](CC)CC1 ZINC000053487603 168388045 /nfs/dbraw/zinc/38/80/45/168388045.db2.gz GWCYAFINGFNCKS-CYBMUJFWSA-N 2 0 241.423 1.791 20 0 BDADRP CO[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)C(C)C ZINC000381779050 539006912 /nfs/dbraw/zinc/00/69/12/539006912.db2.gz KVPRNAUKRZSZFX-JSGCOSHPSA-N 2 0 242.407 1.977 20 0 BDADRP C[C@@H]([NH2+]C[C@@](C)(O)C1CC1)C1CC[NH+](C)CC1 ZINC000383927652 539012337 /nfs/dbraw/zinc/01/23/37/539012337.db2.gz SBCZTXBVZAGDTP-BXUZGUMPSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@H]([NH2+]C[C@@](C)(O)C1CC1)C1CC[NH+](C)CC1 ZINC000383927681 539012355 /nfs/dbraw/zinc/01/23/55/539012355.db2.gz SBCZTXBVZAGDTP-SMDDNHRTSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](CCOCc2ccccc2)C1 ZINC000390783768 539027394 /nfs/dbraw/zinc/02/73/94/539027394.db2.gz TXKBPAGTHBNSJV-OAHLLOKOSA-N 2 0 248.370 1.874 20 0 BDADRP Cn1nccc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335634215 136241539 /nfs/dbraw/zinc/24/15/39/136241539.db2.gz NSQXKOAFABTUCH-CHWSQXEVSA-N 2 0 248.374 1.242 20 0 BDADRP CCC[NH+]1CCC([NH2+]C2CSC2)CC1 ZINC000389340441 539015988 /nfs/dbraw/zinc/01/59/88/539015988.db2.gz XYYJVKIZNBZJAV-UHFFFAOYSA-N 2 0 214.378 1.566 20 0 BDADRP C[C@@H](CCCCO)[NH2+][C@@H](C)CC[NH+](C)C ZINC000389905326 539018160 /nfs/dbraw/zinc/01/81/60/539018160.db2.gz GSMIVQYQNJXZDS-RYUDHWBXSA-N 2 0 216.369 1.467 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)CCCCO ZINC000389905324 539018433 /nfs/dbraw/zinc/01/84/33/539018433.db2.gz GSMIVQYQNJXZDS-NWDGAFQWSA-N 2 0 216.369 1.467 20 0 BDADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H]2CCC[NH2+]CC2)CC1 ZINC000333175243 398316635 /nfs/dbraw/zinc/31/66/35/398316635.db2.gz QTTYOVBIJVJLJG-IHRRRGAJSA-N 3 0 239.407 1.483 20 0 BDADRP C[C@@H]1CC[C@@H]([N@H+](C)C[C@H](O)CN(C)C2CC2)C1 ZINC000351618782 136247880 /nfs/dbraw/zinc/24/78/80/136247880.db2.gz IMOIWONXUXTRHM-MRVWCRGKSA-N 2 0 240.391 1.562 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H](COC)C(C)C ZINC000234699680 342934352 /nfs/dbraw/zinc/93/43/52/342934352.db2.gz RKROJQITCKXKFK-NWDGAFQWSA-N 2 0 232.368 1.001 20 0 BDADRP CC[C@@H]([NH2+]C1CCC([NH3+])CC1)[C@@H](O)CC ZINC000313094048 259330862 /nfs/dbraw/zinc/33/08/62/259330862.db2.gz QMMWLTHKNQUJLJ-HCWSGVFWSA-N 2 0 214.353 1.395 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2Cc3ccccc3O2)C1 ZINC000222969820 259330977 /nfs/dbraw/zinc/33/09/77/259330977.db2.gz HDFITYVMLGNJQM-MCIONIFRSA-N 2 0 246.354 1.850 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CCCC1CC1 ZINC000234782142 342942449 /nfs/dbraw/zinc/94/24/49/342942449.db2.gz JWDSDBGUAGOIEN-LBPRGKRZSA-N 2 0 214.353 1.520 20 0 BDADRP CC[C@@H](C)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000053486168 346901986 /nfs/dbraw/zinc/90/19/86/346901986.db2.gz VMPLHXDXQGLLJJ-NEPJUHHUSA-N 2 0 213.369 1.010 20 0 BDADRP COCCC1(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000234889599 342957462 /nfs/dbraw/zinc/95/74/62/342957462.db2.gz GYNQFGQNEBVTCZ-NWDGAFQWSA-N 2 0 226.364 1.663 20 0 BDADRP CCc1cc(NC[C@H]2C[N@H+](C)CCN2C)cc[nH+]1 ZINC000307774993 529557653 /nfs/dbraw/zinc/55/76/53/529557653.db2.gz RWLNMRDHFGAHJL-AWEZNQCLSA-N 2 0 248.374 1.302 20 0 BDADRP COC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000602719991 349712249 /nfs/dbraw/zinc/71/22/49/349712249.db2.gz VPZIVCVTHGFNGK-KKOKHZNYSA-N 2 0 240.347 1.010 20 0 BDADRP CSC1(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000235120262 342987140 /nfs/dbraw/zinc/98/71/40/342987140.db2.gz FNYQQTIQPLKSMP-UWVGGRQHSA-N 2 0 214.378 1.742 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000372506330 168417595 /nfs/dbraw/zinc/41/75/95/168417595.db2.gz VBVLOEOWYADIGY-LLVKDONJSA-N 2 0 241.379 1.152 20 0 BDADRP C[C@@H](C[NH2+]C1CCSCC1)N(C)C ZINC000038087715 343060134 /nfs/dbraw/zinc/06/01/34/343060134.db2.gz HGXPWUYZITWJBK-VIFPVBQESA-N 2 0 202.367 1.422 20 0 BDADRP C[C@H](O)C[NH2+]CCCCC[NH+]1CCCC1 ZINC000576862908 365707704 /nfs/dbraw/zinc/70/77/04/365707704.db2.gz GMYSHHPOUGCFIP-LBPRGKRZSA-N 2 0 214.353 1.223 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCOCC2CC2)C1 ZINC000236303834 343091575 /nfs/dbraw/zinc/09/15/75/343091575.db2.gz HBYKKVYXLZDSCG-VXGBXAGGSA-N 2 0 212.337 1.273 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCOCC(F)F)C1 ZINC000236304314 343091637 /nfs/dbraw/zinc/09/16/37/343091637.db2.gz XTJXZXAHMCGNOP-RKDXNWHRSA-N 2 0 222.279 1.128 20 0 BDADRP CCC(C)(C)[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000576939640 365726676 /nfs/dbraw/zinc/72/66/76/365726676.db2.gz QZFYDZBLHAFNCI-QWHCGFSZSA-N 2 0 242.407 1.857 20 0 BDADRP CC[C@H](C)NC(=O)CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000093215219 343150987 /nfs/dbraw/zinc/15/09/87/343150987.db2.gz BGKLJHMLLWFNHA-SRVKXCTJSA-N 2 0 241.379 1.151 20 0 BDADRP CC(C)C[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)[NH+](C)C ZINC000093210719 343151259 /nfs/dbraw/zinc/15/12/59/343151259.db2.gz DDQXVMQNKOILGM-MELADBBJSA-N 2 0 241.423 1.822 20 0 BDADRP Cc1nc(CN2CC[C@H]([NH3+])C[C@@H]2C)oc1C ZINC000133604025 343184964 /nfs/dbraw/zinc/18/49/64/343184964.db2.gz FSAFOBAPZOOHOV-KWQFWETISA-N 2 0 223.320 1.603 20 0 BDADRP C[NH2+]CCCNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000121097895 343162204 /nfs/dbraw/zinc/16/22/04/343162204.db2.gz YFEKFSQXNPKGHK-CYBMUJFWSA-N 2 0 249.358 1.192 20 0 BDADRP C[NH+](C)C[C@@](C)(O)C[NH2+]C1CCCCCC1 ZINC000125897944 343167856 /nfs/dbraw/zinc/16/78/56/343167856.db2.gz UIWBMKYFJPVRNJ-ZDUSSCGKSA-N 2 0 228.380 1.611 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H](COC)C(C)C)CC1 ZINC000126465472 343170190 /nfs/dbraw/zinc/17/01/90/343170190.db2.gz VKJAZVHCWFWWIR-AWEZNQCLSA-N 2 0 242.407 1.979 20 0 BDADRP C[NH+](C)C1(CN[C@H]2CCC[C@H]([NH3+])C2)CCCC1 ZINC000131963335 343187322 /nfs/dbraw/zinc/18/73/22/343187322.db2.gz JXJUWSPQXANJDK-STQMWFEESA-N 2 0 239.407 1.720 20 0 BDADRP C[NH2+]C[C@@](C)(O)C[N@H+](C)C[C@@H](C)C(C)(C)C ZINC000634688260 343246326 /nfs/dbraw/zinc/24/63/26/343246326.db2.gz NHPGFJLJHNTELA-DGCLKSJQSA-N 2 0 230.396 1.571 20 0 BDADRP C[C@@H]1CC[C@@H](C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)O1 ZINC000634688273 343246579 /nfs/dbraw/zinc/24/65/79/343246579.db2.gz NMJDQOAJACJEDG-RDBSUJKOSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@@H]1CC[C@H](CN2C[C@@H]3CCC[C@@]3([NH3+])C2)O1 ZINC000634688070 343247142 /nfs/dbraw/zinc/24/71/42/343247142.db2.gz HEBOOCKBNCQPES-YVECIDJPSA-N 2 0 224.348 1.367 20 0 BDADRP Cn1nccc1CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000634688654 343248686 /nfs/dbraw/zinc/24/86/86/343248686.db2.gz ZQYVBMAZGCXCCH-JSGCOSHPSA-N 2 0 248.374 1.037 20 0 BDADRP Cn1nccc1CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000634688653 343248705 /nfs/dbraw/zinc/24/87/05/343248705.db2.gz ZQYVBMAZGCXCCH-GXTWGEPZSA-N 2 0 248.374 1.037 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCCCC1(C)C ZINC000310120611 343288667 /nfs/dbraw/zinc/28/86/67/343288667.db2.gz ACCHZIFXURZMAB-OLZOCXBDSA-N 2 0 242.407 1.857 20 0 BDADRP Cc1ccc(CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)o1 ZINC000572986027 323040027 /nfs/dbraw/zinc/04/00/27/323040027.db2.gz ZEEXCXJFRVHSSL-NEPJUHHUSA-N 2 0 222.332 1.990 20 0 BDADRP Cc1nccn1CCC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000348757314 136297504 /nfs/dbraw/zinc/29/75/04/136297504.db2.gz VAOCYXGZXCLIIY-CQSZACIVSA-N 2 0 248.374 1.267 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCC[NH+](C)C)CCO1 ZINC000069858511 343293246 /nfs/dbraw/zinc/29/32/46/343293246.db2.gz SGQCFRMVMNUDSC-QWRGUYRKSA-N 2 0 200.326 1.095 20 0 BDADRP Cc1n[nH]cc1C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000335613006 136295366 /nfs/dbraw/zinc/29/53/66/136295366.db2.gz QPXORSNGFYMYOC-BXKDBHETSA-N 2 0 222.336 1.196 20 0 BDADRP C[C@H](CNC(=O)C[C@H]([NH3+])c1ccccc1)[NH+](C)C ZINC000038089265 343370182 /nfs/dbraw/zinc/37/01/82/343370182.db2.gz INPSIGVZKBUJBA-YPMHNXCESA-N 2 0 249.358 1.143 20 0 BDADRP c1cncc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000335631347 136300235 /nfs/dbraw/zinc/30/02/35/136300235.db2.gz AZCSCEKPRAGRGM-LSDHHAIUSA-N 2 0 245.370 1.903 20 0 BDADRP c1cncc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000335631344 136300300 /nfs/dbraw/zinc/30/03/00/136300300.db2.gz AZCSCEKPRAGRGM-CABCVRRESA-N 2 0 245.370 1.903 20 0 BDADRP C[C@H]1C[C@H]([NH2+]Cc2cccc3c[nH]nc32)CC[NH2+]1 ZINC000335637732 136302892 /nfs/dbraw/zinc/30/28/92/136302892.db2.gz HIYLHYJLQBMERZ-GXFFZTMASA-N 2 0 244.342 1.793 20 0 BDADRP Cc1ccc(CN[C@@H]2CC[NH2+][C@@H](C)C2)nc1 ZINC000335641615 136308486 /nfs/dbraw/zinc/30/84/86/136308486.db2.gz URDMUCJGSNOPCF-NWDGAFQWSA-N 2 0 219.332 1.620 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000166216244 136309323 /nfs/dbraw/zinc/30/93/23/136309323.db2.gz FSUJYXLUYMHCNL-JSGCOSHPSA-N 2 0 218.344 1.898 20 0 BDADRP Cc1noc(C)c1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000166226784 136314095 /nfs/dbraw/zinc/31/40/95/136314095.db2.gz QOFSTNNYOOKLDP-LDYMZIIASA-N 2 0 223.320 1.461 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccccc2F)C1 ZINC000166229873 136314953 /nfs/dbraw/zinc/31/49/53/136314953.db2.gz AXZIYVHNZSKATD-WDEREUQCSA-N 2 0 222.307 1.995 20 0 BDADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cncn1C ZINC000335704743 136335338 /nfs/dbraw/zinc/33/53/38/136335338.db2.gz KLXUPCBNEQYNAT-OLZOCXBDSA-N 2 0 248.374 1.479 20 0 BDADRP C[N@@H+]1CCC[C@H]2C[NH+](CCCF)CC[C@H]21 ZINC000247969766 136373656 /nfs/dbraw/zinc/37/36/56/136373656.db2.gz HEOIZCGOJGKGKD-NWDGAFQWSA-N 2 0 214.328 1.762 20 0 BDADRP CC[N@H+](C)C[C@H](O)CN1CC(C)(C)[C@@H]1C1CC1 ZINC000570060697 323049028 /nfs/dbraw/zinc/04/90/28/323049028.db2.gz OHIXZIUWJZLTHL-STQMWFEESA-N 2 0 240.391 1.419 20 0 BDADRP CC[NH+]1CCC(C[NH2+]Cc2ncc[nH]2)CC1 ZINC000044517904 343505568 /nfs/dbraw/zinc/50/55/68/343505568.db2.gz KEESPUXRSFYAQP-UHFFFAOYSA-N 2 0 222.336 1.231 20 0 BDADRP [NH3+]C[C@H]1C[N@H+](CCC2CCC2)CCCO1 ZINC000398947574 488225653 /nfs/dbraw/zinc/22/56/53/488225653.db2.gz YUBTWFBXDVLLIZ-LBPRGKRZSA-N 2 0 212.337 1.226 20 0 BDADRP [NH3+]C[C@@H]1C[N@H+](CCC2CCC2)CCCO1 ZINC000398947572 488225669 /nfs/dbraw/zinc/22/56/69/488225669.db2.gz YUBTWFBXDVLLIZ-GFCCVEGCSA-N 2 0 212.337 1.226 20 0 BDADRP C[N@H+](CCC[NH3+])CCCc1ccc2c(c1)CCO2 ZINC000580563803 365782047 /nfs/dbraw/zinc/78/20/47/365782047.db2.gz CNBGNOLITRFUGU-UHFFFAOYSA-N 2 0 248.370 1.835 20 0 BDADRP C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000580580365 365790614 /nfs/dbraw/zinc/79/06/14/365790614.db2.gz AQHIBLMTDOKWFL-FDYHWXHSSA-N 2 0 242.363 1.040 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCOC[C@H]2CCCO2)C1 ZINC000576002863 343694295 /nfs/dbraw/zinc/69/42/95/343694295.db2.gz FOYNVVVQKXQVLW-JHJVBQTASA-N 2 0 242.363 1.042 20 0 BDADRP CCC(C)(C)CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000380182596 343688868 /nfs/dbraw/zinc/68/88/68/343688868.db2.gz GIKXCWZHNDMXRY-RYUDHWBXSA-N 2 0 210.365 1.964 20 0 BDADRP C[N@@H+]1CCC[C@H]1CCN1CCc2nc[nH]c2C1 ZINC000625436936 343734512 /nfs/dbraw/zinc/73/45/12/343734512.db2.gz OETSOIBRDPZMSK-NSHDSACASA-N 2 0 234.347 1.252 20 0 BDADRP C[C@@]1(C[NH3+])CCN(Cc2ncc(C3CC3)o2)C1 ZINC000584113964 343759478 /nfs/dbraw/zinc/75/94/78/343759478.db2.gz UAEZPJNXAMAFIX-ZDUSSCGKSA-N 2 0 235.331 1.723 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000577062436 365798633 /nfs/dbraw/zinc/79/86/33/365798633.db2.gz FGGIVERFWJSGNC-WFASDCNBSA-N 3 0 247.386 1.623 20 0 BDADRP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H]2C[C@H]2C)CC1 ZINC000625454028 343861344 /nfs/dbraw/zinc/86/13/44/343861344.db2.gz ZWOXEXSLHLKFGE-OLZOCXBDSA-N 2 0 240.391 1.467 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2ccc(N)nc2)C1 ZINC000634732203 344106771 /nfs/dbraw/zinc/10/67/71/344106771.db2.gz APJKETSHFGQESG-GFCCVEGCSA-N 2 0 248.374 1.362 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H](N[C@@H]2CCC[NH2+]C2)C1 ZINC000634734197 344114518 /nfs/dbraw/zinc/11/45/18/344114518.db2.gz ZGVGYOQKENMUQX-VXGBXAGGSA-N 2 0 225.380 1.106 20 0 BDADRP c1nc2c([nH]1)C[C@@H]([NH2+]Cc1cocn1)CC2 ZINC000309336189 347035250 /nfs/dbraw/zinc/03/52/50/347035250.db2.gz ASITYOZGNOODSW-QMMMGPOBSA-N 2 0 218.260 1.045 20 0 BDADRP C[C@@H]([NH2+]CC[C@H](C)[NH3+])[C@@H]1CCCOC1 ZINC000622045221 344229754 /nfs/dbraw/zinc/22/97/54/344229754.db2.gz HTEDGYFNRIRTRE-HBNTYKKESA-N 2 0 200.326 1.128 20 0 BDADRP C[C@H](C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000083683320 344181371 /nfs/dbraw/zinc/18/13/71/344181371.db2.gz MMJPWRUCOVCUFQ-BPLDGKMQSA-N 2 0 230.355 1.941 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H]2CCCC[C@@H]2O)C1 ZINC000328453350 344298440 /nfs/dbraw/zinc/29/84/40/344298440.db2.gz DQZDSIFVFSQFJH-RNJOBUHISA-N 2 0 226.364 1.207 20 0 BDADRP CC(C)[NH2+]CCC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000131626802 344315487 /nfs/dbraw/zinc/31/54/87/344315487.db2.gz ITIRYCUTEYXYIQ-VXGBXAGGSA-N 2 0 241.379 1.103 20 0 BDADRP CC(C)[NH2+]CCC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000131826342 344333910 /nfs/dbraw/zinc/33/39/10/344333910.db2.gz LOMAASXCSMNCAK-ZDUSSCGKSA-N 2 0 249.358 1.191 20 0 BDADRP CC(C)SCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000380533959 344418807 /nfs/dbraw/zinc/41/88/07/344418807.db2.gz FEVZGIQGDLAOHN-LBPRGKRZSA-N 2 0 246.420 1.174 20 0 BDADRP CC[C@H](O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000042396076 344452585 /nfs/dbraw/zinc/45/25/85/344452585.db2.gz NZIZAUVHPHUJTG-LBPRGKRZSA-N 2 0 214.353 1.031 20 0 BDADRP CCC[C@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000036999115 344484886 /nfs/dbraw/zinc/48/48/86/344484886.db2.gz FVKSRTGKUPTNGI-RYUDHWBXSA-N 2 0 241.379 1.104 20 0 BDADRP CC(C)OC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000381312341 344495069 /nfs/dbraw/zinc/49/50/69/344495069.db2.gz LXQJQXWPKQWJMG-STQMWFEESA-N 2 0 228.380 1.731 20 0 BDADRP CC1(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC000381612031 344525493 /nfs/dbraw/zinc/52/54/93/344525493.db2.gz SQFZJYHCKLVXCC-ZDUSSCGKSA-N 2 0 208.349 1.862 20 0 BDADRP C[C@H]1C[C@@H](NC[C@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000624100976 344538812 /nfs/dbraw/zinc/53/88/12/344538812.db2.gz AJSCCWPJWGCKSV-RWMBFGLXSA-N 2 0 225.380 1.153 20 0 BDADRP C[NH+](C)CCOCC[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000336782949 537852450 /nfs/dbraw/zinc/85/24/50/537852450.db2.gz ZBWYRSQDVNZBIL-STQMWFEESA-N 2 0 226.364 1.343 20 0 BDADRP CSCC[C@@H](C)[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000158594031 344689687 /nfs/dbraw/zinc/68/96/87/344689687.db2.gz MHYJDWZOSZXQEO-GHMZBOCLSA-N 2 0 216.394 1.669 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000574452557 344854770 /nfs/dbraw/zinc/85/47/70/344854770.db2.gz BVKAQDBITDJGSD-YPMHNXCESA-N 3 0 225.380 1.045 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000574452551 344854957 /nfs/dbraw/zinc/85/49/57/344854957.db2.gz BVKAQDBITDJGSD-AAEUAGOBSA-N 3 0 225.380 1.045 20 0 BDADRP C[NH+](C)C[C@H]1CCN(Cc2cnc(C3CC3)o2)C1 ZINC000628174097 344894835 /nfs/dbraw/zinc/89/48/35/344894835.db2.gz XAESEJPCTCBBFS-LLVKDONJSA-N 2 0 249.358 1.936 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000583441414 344966849 /nfs/dbraw/zinc/96/68/49/344966849.db2.gz APSBHRFSQJJWBK-KBPBESRZSA-N 3 0 233.359 1.362 20 0 BDADRP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)[NH+]1CCCCC1 ZINC000667585422 537884222 /nfs/dbraw/zinc/88/42/22/537884222.db2.gz AOLZXLBYBSULFL-CHWSQXEVSA-N 2 0 224.348 1.241 20 0 BDADRP CC[NH+](CC)CCCNCC12CC(C1)C[NH2+]2 ZINC000634996605 345189767 /nfs/dbraw/zinc/18/97/67/345189767.db2.gz PAWAHFUHEVMLBK-UHFFFAOYSA-N 2 0 225.380 1.060 20 0 BDADRP C(N1CCC([C@H]2CCC[NH2+]2)CC1)C12CC(C1)C[NH2+]2 ZINC000634990805 345173272 /nfs/dbraw/zinc/17/32/72/345173272.db2.gz CWVBPRTXNNMOJC-HNFVBEJKSA-N 2 0 249.402 1.202 20 0 BDADRP C(N1CCCC[C@H]1[C@@H]1CCC[NH2+]1)C12CC(C1)C[NH2+]2 ZINC000634990753 345173353 /nfs/dbraw/zinc/17/33/53/345173353.db2.gz AWVBHABZGBPVNR-GQKFXUNGSA-N 2 0 249.402 1.345 20 0 BDADRP CC(C)[C@H](C[NH3+])C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000634991598 345178619 /nfs/dbraw/zinc/17/86/19/345178619.db2.gz KHRBBZXVFYFJDK-RFQIPJPRSA-N 3 0 239.407 1.277 20 0 BDADRP CC(C)[C@@H](C[NH3+])CNC[C@H]([NH3+])c1ccccc1 ZINC000634995245 345184603 /nfs/dbraw/zinc/18/46/03/345184603.db2.gz YXAOTBQCUDPQLQ-KBPBESRZSA-N 2 0 235.375 1.507 20 0 BDADRP CC(C)[C@@H](C[NH3+])C[NH2+][C@@H](C)CCCC[NH3+] ZINC000634995992 345186120 /nfs/dbraw/zinc/18/61/20/345186120.db2.gz VXQOYSDPPYEPES-RYUDHWBXSA-N 3 0 215.385 1.324 20 0 BDADRP C(N[C@H]1CC[NH2+]C2(CCC2)C1)C12CC(C1)C[NH2+]2 ZINC000634996067 345186500 /nfs/dbraw/zinc/18/65/00/345186500.db2.gz YNYXXMUTVZLWGX-LXVYMNJGSA-N 2 0 235.375 1.003 20 0 BDADRP C[NH+]1CCC(CC[NH2+]Cc2ccon2)CC1 ZINC000634960133 345132540 /nfs/dbraw/zinc/13/25/40/345132540.db2.gz KCVQVTOOWXSDIM-UHFFFAOYSA-N 2 0 223.320 1.496 20 0 BDADRP C(N1CC[C@@H](C2CCC2)C1)C12CC(C1)C[NH2+]2 ZINC000634996453 345188312 /nfs/dbraw/zinc/18/83/12/345188312.db2.gz KKUYGMILHBKGDD-HRDQMINSSA-N 2 0 220.360 1.860 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000227062740 345246701 /nfs/dbraw/zinc/24/67/01/345246701.db2.gz SKEVRIHLDJNTOL-IHRRRGAJSA-N 2 0 246.354 1.707 20 0 BDADRP CC[C@]1(C)CCN(CC23CC(C2)C[NH2+]3)C1 ZINC000634993853 345191801 /nfs/dbraw/zinc/19/18/01/345191801.db2.gz IFFCYCYVEIULDL-OTTFEQOBSA-N 2 0 208.349 1.860 20 0 BDADRP CC(C)[C@@H](C[NH3+])CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000634993709 345192220 /nfs/dbraw/zinc/19/22/20/345192220.db2.gz CPDKWXZNZBXKSQ-RWMBFGLXSA-N 2 0 225.380 1.044 20 0 BDADRP C[C@@H](O)C[C@H]1CCCCN1CC12CC(C1)C[NH2+]2 ZINC000634994023 345192831 /nfs/dbraw/zinc/19/28/31/345192831.db2.gz OBASGQQXIXIKKU-NELGMTEASA-N 2 0 238.375 1.364 20 0 BDADRP CC(C)[C@H](C[NH3+])CN[C@@H]1CC[NH2+]C12CCC2 ZINC000634997649 345193521 /nfs/dbraw/zinc/19/35/21/345193521.db2.gz PUELYPFJCRBMSD-VXGBXAGGSA-N 2 0 225.380 1.092 20 0 BDADRP C([NH2+][C@H]1CCCC12CC2)C1CC[NH2+]CC1 ZINC000634999678 345200733 /nfs/dbraw/zinc/20/07/33/345200733.db2.gz XSIBNWUGMNXDAK-LBPRGKRZSA-N 2 0 208.349 1.908 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C2CCC(C[NH3+])CC2)[C@@H](C)O1 ZINC000635001664 345200779 /nfs/dbraw/zinc/20/07/79/345200779.db2.gz XUQYJLJDFZSVTG-KRDKVTMHSA-N 2 0 226.364 1.659 20 0 BDADRP C([NH2+][C@@]12C[C@@H]1CCCC2)C1CC[NH2+]CC1 ZINC000635001436 345201411 /nfs/dbraw/zinc/20/14/11/345201411.db2.gz SBZDSSOYNMXKHG-STQMWFEESA-N 2 0 208.349 1.908 20 0 BDADRP C[C@H]1C[N@H+](Cc2cccc(O)c2)C[C@H]1C[NH3+] ZINC000635000133 345202305 /nfs/dbraw/zinc/20/23/05/345202305.db2.gz HWONBRVQXCXUKM-CMPLNLGQSA-N 2 0 220.316 1.419 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CCN1C ZINC000635007589 345206471 /nfs/dbraw/zinc/20/64/71/345206471.db2.gz RLWNHFLSUAENOE-AAVRWANBSA-N 2 0 239.407 1.576 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)[C@H](C)O1 ZINC000635005435 345209413 /nfs/dbraw/zinc/20/94/13/345209413.db2.gz NNDNKKMNURGBQU-OFTGVCEQSA-N 2 0 226.364 1.530 20 0 BDADRP C[C@H]1OCC[C@@H]1[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635005997 345209596 /nfs/dbraw/zinc/20/95/96/345209596.db2.gz ANTBQOLATXWWQJ-ABAIWWIYSA-N 2 0 246.354 1.599 20 0 BDADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC(C)(C)F ZINC000635005564 345209785 /nfs/dbraw/zinc/20/97/85/345209785.db2.gz VDHXWKFOCROORL-AEJSXWLSSA-N 2 0 218.316 1.076 20 0 BDADRP Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])o1 ZINC000635009469 345212282 /nfs/dbraw/zinc/21/22/82/345212282.db2.gz NKDJYUKVMQSPGC-WCFLWFBJSA-N 2 0 238.331 1.430 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H](C[NH3+])CC1 ZINC000635007839 345215219 /nfs/dbraw/zinc/21/52/19/345215219.db2.gz XYHMLTLJQPHBRA-LPWJVIDDSA-N 3 0 225.380 1.221 20 0 BDADRP C[C@@H](NCC[C@H]([NH3+])Cc1ccccc1)C1C[NH2+]C1 ZINC000635008637 345216760 /nfs/dbraw/zinc/21/67/60/345216760.db2.gz RZFAPLBEBBIFRR-DOMZBBRYSA-N 2 0 247.386 1.144 20 0 BDADRP COCCCC[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000158525640 345344442 /nfs/dbraw/zinc/34/44/42/345344442.db2.gz SXDNLYHRAIDRIK-LBPRGKRZSA-N 2 0 216.369 1.718 20 0 BDADRP C[C@@H](CCNC(N)=[NH2+])[N@H+](C)Cc1ccccc1 ZINC000081781038 345492106 /nfs/dbraw/zinc/49/21/06/345492106.db2.gz DKOMZKDJPPQAOU-NSHDSACASA-N 2 0 234.347 1.380 20 0 BDADRP CC[C@H](C)C[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000093061527 345656349 /nfs/dbraw/zinc/65/63/49/345656349.db2.gz UCPBJGPOUIDSEN-AWEZNQCLSA-N 2 0 241.423 1.650 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1CC[NH3+] ZINC000115822085 345677113 /nfs/dbraw/zinc/67/71/13/345677113.db2.gz AXBRQZAHNADPAJ-CYBMUJFWSA-N 2 0 233.359 1.151 20 0 BDADRP CC[NH+](CC)CCCCNC(=O)[C@@H](C)[NH+](C)C ZINC000635555638 345697749 /nfs/dbraw/zinc/69/77/49/345697749.db2.gz GLTZLTJQMVPBLT-GFCCVEGCSA-N 2 0 243.395 1.175 20 0 BDADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H]1CCCO1 ZINC000138115399 345693989 /nfs/dbraw/zinc/69/39/89/345693989.db2.gz ISEFRBAIUMNGSI-APYLGABCSA-N 2 0 238.375 1.769 20 0 BDADRP CC[NH+](CC)CCCC1CCN(CC[NH3+])CC1 ZINC000149081385 345715188 /nfs/dbraw/zinc/71/51/88/345715188.db2.gz VOTNWGLOTJONDZ-UHFFFAOYSA-N 2 0 241.423 1.779 20 0 BDADRP CC[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000205144279 345732749 /nfs/dbraw/zinc/73/27/49/345732749.db2.gz VBYVLIDUYBHGIK-CYBMUJFWSA-N 2 0 225.380 1.107 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CCN1CC[NH+](C)C(C)(C)C1 ZINC000581377367 345942922 /nfs/dbraw/zinc/94/29/22/345942922.db2.gz ABKUUPOKQDCSDQ-CYBMUJFWSA-N 2 0 239.407 1.497 20 0 BDADRP CC(C)[N@@H+](C)C[C@H](C)N[C@H]1C[NH+](C)C[C@@H]1C ZINC000381470810 346002895 /nfs/dbraw/zinc/00/28/95/346002895.db2.gz MNWRYBNTBXWADJ-AVGNSLFASA-N 2 0 227.396 1.255 20 0 BDADRP CSC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000401020694 346034822 /nfs/dbraw/zinc/03/48/22/346034822.db2.gz KSEDRPAEFIKWFU-GRYCIOLGSA-N 2 0 240.416 1.860 20 0 BDADRP C[C@@H](C[NH+](C)C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC000635928537 346111044 /nfs/dbraw/zinc/11/10/44/346111044.db2.gz IJECNOLEPOOFQK-NSHDSACASA-N 2 0 243.395 1.031 20 0 BDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)[NH+](C)C ZINC000635939814 346124484 /nfs/dbraw/zinc/12/44/84/346124484.db2.gz FVBRQLAAYHTNMR-VXGBXAGGSA-N 2 0 243.395 1.173 20 0 BDADRP CCN(CCO)CC[NH2+]C[C@]1(C)CCCS1 ZINC000628240227 346202487 /nfs/dbraw/zinc/20/24/87/346202487.db2.gz VPXDMTJTIFILLD-LBPRGKRZSA-N 2 0 246.420 1.176 20 0 BDADRP C[N@H+]1C[C@@H]2C[NH+](C[C@@]3(C)CCCS3)C[C@@H]2C1 ZINC000628253307 346229709 /nfs/dbraw/zinc/22/97/09/346229709.db2.gz BEIXDWSRMWYCSA-FRRDWIJNSA-N 2 0 240.416 1.766 20 0 BDADRP CCN(CCO)CC[NH2+][C@@H]1CCC[C@H](C)CC1 ZINC000641748682 362677408 /nfs/dbraw/zinc/67/74/08/362677408.db2.gz RNJKQDKMZHMVGP-UONOGXRCSA-N 2 0 242.407 1.859 20 0 BDADRP Nc1cnccc1C[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000641755523 362681112 /nfs/dbraw/zinc/68/11/12/362681112.db2.gz LQEOAIDNIVUOPK-JTQLQIEISA-N 2 0 243.314 1.034 20 0 BDADRP CO[C@@H](CC(C)C)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000419200957 192102292 /nfs/dbraw/zinc/10/22/92/192102292.db2.gz FCMFTEBRAKELNH-KBPBESRZSA-N 2 0 242.407 1.931 20 0 BDADRP Cc1cccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000011891263 179079511 /nfs/dbraw/zinc/07/95/11/179079511.db2.gz BDSHSISUPPUKTE-ZDUSSCGKSA-N 2 0 204.317 1.776 20 0 BDADRP c1n[nH]cc1CC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000641798270 362742543 /nfs/dbraw/zinc/74/25/43/362742543.db2.gz DHNPFTWLMXSXNR-ZIAGYGMSSA-N 2 0 248.374 1.416 20 0 BDADRP Cn1cncc1CC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000641798966 362746357 /nfs/dbraw/zinc/74/63/57/362746357.db2.gz RTWNPMNIGWMLHC-IACUBPJLSA-N 2 0 248.374 1.022 20 0 BDADRP CCC[NH2+][C@H](C)c1nc(C[C@H](C)[NH2+]C)no1 ZINC000575058546 346466384 /nfs/dbraw/zinc/46/63/84/346466384.db2.gz HSUMHKBGNOPCBL-DTWKUNHWSA-N 2 0 226.324 1.281 20 0 BDADRP Cc1nccn1CCC[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641803941 362761288 /nfs/dbraw/zinc/76/12/88/362761288.db2.gz WEZJPDOKIJIBME-NWDGAFQWSA-N 2 0 236.363 1.297 20 0 BDADRP C[C@@H]1CC[C@H](C[NH3+])N(CCOCC2CC2)[C@@H]1C ZINC000641808332 362763317 /nfs/dbraw/zinc/76/33/17/362763317.db2.gz MWBKRLTYFDWYHG-YRGRVCCFSA-N 2 0 240.391 1.861 20 0 BDADRP Cc1cncc(C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)c1 ZINC000641800961 362753821 /nfs/dbraw/zinc/75/38/21/362753821.db2.gz JUFURIHPPMWOBM-NWDGAFQWSA-N 2 0 219.332 1.605 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)C1CCCC1 ZINC000641801352 362754818 /nfs/dbraw/zinc/75/48/18/362754818.db2.gz PUQORTUUBMSLCU-JHJVBQTASA-N 2 0 240.391 1.907 20 0 BDADRP CCn1ccnc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070170792 349967174 /nfs/dbraw/zinc/96/71/74/349967174.db2.gz RPKYZKUUKVDACI-GFCCVEGCSA-N 2 0 236.363 1.464 20 0 BDADRP CN(CC[NH2+][C@H]1C[C@H]([NH3+])C1(C)C)c1ccccc1 ZINC000641801841 362758711 /nfs/dbraw/zinc/75/87/11/362758711.db2.gz FRFFKYJQMZHHTD-KBPBESRZSA-N 2 0 247.386 1.838 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000641804303 362760926 /nfs/dbraw/zinc/76/09/26/362760926.db2.gz YAIIFWLYRXEFST-TUAOUCFPSA-N 3 0 225.380 1.092 20 0 BDADRP C[C@@H]1CC[C@H](C[NH3+])N(C[C@@H]2CC[NH2+]C2)[C@@H]1C ZINC000641809222 362764577 /nfs/dbraw/zinc/76/45/77/362764577.db2.gz PSTPSTQAIYXORJ-FDYHWXHSSA-N 2 0 225.380 1.044 20 0 BDADRP C[C@H](O)CCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000300374893 346530754 /nfs/dbraw/zinc/53/07/54/346530754.db2.gz CHNCINJCUVGBMF-GARJFASQSA-N 2 0 200.326 1.007 20 0 BDADRP CC(C)[NH+]1CCC(NCC(C)(C)[NH+](C)C)CC1 ZINC000020125692 187370282 /nfs/dbraw/zinc/37/02/82/187370282.db2.gz CAEWIOCHDYXYPU-UHFFFAOYSA-N 2 0 241.423 1.789 20 0 BDADRP CC[C@H]1CCCCC[N@@H+]1C[C@@H](O)CN(C)CC ZINC000380087973 365870910 /nfs/dbraw/zinc/87/09/10/365870910.db2.gz UETPJJKNFDXQNF-KBPBESRZSA-N 2 0 242.407 1.954 20 0 BDADRP COCC(C)(C)C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622005079 370655544 /nfs/dbraw/zinc/65/55/44/370655544.db2.gz YIMYEPSBENNWBS-DGCLKSJQSA-N 2 0 226.364 1.472 20 0 BDADRP CC[NH+]1CCN(CCC[NH2+]CC(C)(C)C)CC1 ZINC000236844913 347195703 /nfs/dbraw/zinc/19/57/03/347195703.db2.gz WDXAWLLHJYTDPG-UHFFFAOYSA-N 2 0 241.423 1.650 20 0 BDADRP CCOC(=O)CCCC[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601327356 347211577 /nfs/dbraw/zinc/21/15/77/347211577.db2.gz UFNUGORAJLJHIX-VXGBXAGGSA-N 2 0 242.363 1.246 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353533240 187372580 /nfs/dbraw/zinc/37/25/80/187372580.db2.gz XVVNQXDNVQUUJE-REWJHTLYSA-N 2 0 240.391 1.466 20 0 BDADRP CCCC[C@H](C)[N@H+](C)C[C@@H](O)CN(C)C1CC1 ZINC000310120213 347234434 /nfs/dbraw/zinc/23/44/34/347234434.db2.gz DJZWWAJUVDNHDJ-GXTWGEPZSA-N 2 0 242.407 1.952 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCC2(CO)CC2)CC[N@@H+]1C ZINC000395835959 362799478 /nfs/dbraw/zinc/79/94/78/362799478.db2.gz KJXBXTWGJTWWGZ-NWDGAFQWSA-N 2 0 226.364 1.221 20 0 BDADRP CCN1CCC[C@H]([NH2+][C@H]2CS[C@H](C)C2)C1 ZINC000250358938 362801011 /nfs/dbraw/zinc/80/10/11/362801011.db2.gz STIVIYYIKXZLID-GRYCIOLGSA-N 2 0 228.405 1.954 20 0 BDADRP Cc1cccc2c1CC[C@@H]2[NH2+]CC1C[NH2+]C1 ZINC000335551241 179214396 /nfs/dbraw/zinc/21/43/96/179214396.db2.gz CQAMFPSMOWAFOI-AWEZNQCLSA-N 2 0 216.328 1.791 20 0 BDADRP CCC[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)OC ZINC000382837307 347444844 /nfs/dbraw/zinc/44/48/44/347444844.db2.gz PYUYXZDUCSAYOS-JHJVBQTASA-N 2 0 228.380 1.731 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000357066992 187377094 /nfs/dbraw/zinc/37/70/94/187377094.db2.gz DJPRTPOTXOWYHH-GFCCVEGCSA-N 2 0 240.372 1.860 20 0 BDADRP CC[N@H+](C)CCNC1CC[NH+](CC)CC1 ZINC000054109770 347464764 /nfs/dbraw/zinc/46/47/64/347464764.db2.gz RYWAXTQWZAYABK-UHFFFAOYSA-N 2 0 213.369 1.012 20 0 BDADRP CC(C)C[C@@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000357075547 187377351 /nfs/dbraw/zinc/37/73/51/187377351.db2.gz NOJRGZQRAYVRTI-ZDUSSCGKSA-N 2 0 228.380 1.720 20 0 BDADRP CSCC[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000591567832 347671032 /nfs/dbraw/zinc/67/10/32/347671032.db2.gz VCKVVGFDQBTGLV-WCQYABFASA-N 2 0 238.400 1.898 20 0 BDADRP C[NH2+]CCSC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000592179285 347758927 /nfs/dbraw/zinc/75/89/27/347758927.db2.gz LQEJJNUFUPASQP-XYPYZODXSA-N 2 0 216.394 1.704 20 0 BDADRP CCC(CC)(C[NH2+]C[C@@H]1CC[NH2+]C1)C(=O)OC ZINC000592495529 347788134 /nfs/dbraw/zinc/78/81/34/347788134.db2.gz KZWFKCMMRPQYHN-LLVKDONJSA-N 2 0 242.363 1.165 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCOCC1CCC1 ZINC000577382532 365929601 /nfs/dbraw/zinc/92/96/01/365929601.db2.gz WRCIXKOWMOJINE-MNOVXSKESA-N 2 0 214.353 1.519 20 0 BDADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000358248992 179321260 /nfs/dbraw/zinc/32/12/60/179321260.db2.gz JRSXIGRDIZXTQY-HIFRSBDPSA-N 2 0 248.370 1.712 20 0 BDADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@]1(O)CCN(C)C1 ZINC000358248995 179321885 /nfs/dbraw/zinc/32/18/85/179321885.db2.gz JRSXIGRDIZXTQY-UKRRQHHQSA-N 2 0 248.370 1.712 20 0 BDADRP C[C@H](CSCCF)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000595025622 348172780 /nfs/dbraw/zinc/17/27/80/348172780.db2.gz HUYSEARBPUAEPU-LLVKDONJSA-N 2 0 246.395 1.929 20 0 BDADRP C[C@@H]1CN(CCOCC(F)(F)F)CC[C@@H]1[NH3+] ZINC000082627642 348189506 /nfs/dbraw/zinc/18/95/06/348189506.db2.gz CDYANNGZPRJCOK-BDAKNGLRSA-N 2 0 240.269 1.234 20 0 BDADRP Cc1cccnc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000336309135 179373674 /nfs/dbraw/zinc/37/36/74/179373674.db2.gz JXHLUSILWHDBBV-UHFFFAOYSA-N 2 0 245.370 1.966 20 0 BDADRP Cc1ncsc1CN(C)C[C@]1(C)CC[NH2+]C1 ZINC000082633621 348199611 /nfs/dbraw/zinc/19/96/11/348199611.db2.gz LVBXPJDRMMDYKF-GFCCVEGCSA-N 2 0 239.388 1.883 20 0 BDADRP Cc1nn(C)cc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000335269699 187393547 /nfs/dbraw/zinc/39/35/47/187393547.db2.gz NZYZBCJCJTUKLD-BETUJISGSA-N 2 0 248.374 1.160 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@H]1C[NH+](C)C[C@H]1C ZINC000336661612 187393087 /nfs/dbraw/zinc/39/30/87/187393087.db2.gz KCLCRAHUDNXKQB-OLZOCXBDSA-N 2 0 227.396 1.256 20 0 BDADRP C[C@H](CCO)CC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000397610207 362896369 /nfs/dbraw/zinc/89/63/69/362896369.db2.gz BTNNGNCRDUSMLR-YNEHKIRRSA-N 2 0 228.380 1.467 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CC[NH+](C2CC2)CC1 ZINC000042491222 187394709 /nfs/dbraw/zinc/39/47/09/187394709.db2.gz MFALHXPXOOMDRQ-GFCCVEGCSA-N 2 0 225.380 1.140 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2O)CC1(C)C ZINC000623496193 362920006 /nfs/dbraw/zinc/92/00/06/362920006.db2.gz MCLOHXQQQAFCBY-JHJVBQTASA-N 2 0 240.391 1.752 20 0 BDADRP CCSC1(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000596650440 348606144 /nfs/dbraw/zinc/60/61/44/348606144.db2.gz ISAFRGDSWCCUFN-VHSXEESVSA-N 2 0 214.378 1.742 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]CCCC[NH+](C)C)C1 ZINC000069847895 490188659 /nfs/dbraw/zinc/18/86/59/490188659.db2.gz DHERUSPPARWKRP-QWHCGFSZSA-N 2 0 228.380 1.875 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000054242674 348960953 /nfs/dbraw/zinc/96/09/53/348960953.db2.gz JNVCOPNYIUQQGU-CHWSQXEVSA-N 2 0 236.363 1.203 20 0 BDADRP CCC[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)OC ZINC000382189066 348963870 /nfs/dbraw/zinc/96/38/70/348963870.db2.gz BIMBWKNLQDOGOD-QJPTWQEYSA-N 2 0 214.353 1.661 20 0 BDADRP C[C@@H]1CN(Cc2ccsc2)CC[C@H]1[NH3+] ZINC000251844782 362936804 /nfs/dbraw/zinc/93/68/04/362936804.db2.gz QVXZTAKFVFRTKU-MWLCHTKSSA-N 2 0 210.346 1.917 20 0 BDADRP CCOC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000054243739 323203581 /nfs/dbraw/zinc/20/35/81/323203581.db2.gz UDTXPWJCQGCZNA-NEPJUHHUSA-N 2 0 214.353 1.343 20 0 BDADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@@H](C)CCC[NH3+] ZINC000449574544 201973760 /nfs/dbraw/zinc/97/37/60/201973760.db2.gz XMZQBMHADMYVND-QWRGUYRKSA-N 2 0 243.395 1.254 20 0 BDADRP C[N@@H+]1CCC[C@H](CN[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000250603088 349176825 /nfs/dbraw/zinc/17/68/25/349176825.db2.gz KOYWEZJWOHNORG-FRRDWIJNSA-N 3 0 225.380 1.045 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+]CCC[NH+](C)C)C1(C)C ZINC000082922700 349182731 /nfs/dbraw/zinc/18/27/31/349182731.db2.gz QINSXOSXGJQOBP-RYUDHWBXSA-N 2 0 228.380 1.731 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCOC2)C1 ZINC000250488064 349171227 /nfs/dbraw/zinc/17/12/27/349171227.db2.gz FLHPXKHEBATCSN-STQMWFEESA-N 2 0 226.364 1.485 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+]CCN(C)CC)C1(C)C ZINC000082922937 349208760 /nfs/dbraw/zinc/20/87/60/349208760.db2.gz RWUSWDOIEOPKCL-NEPJUHHUSA-N 2 0 228.380 1.731 20 0 BDADRP CCSCC[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000252688223 349210376 /nfs/dbraw/zinc/21/03/76/349210376.db2.gz NOXGUHBDLRKRQG-ZJUUUORDSA-N 2 0 202.367 1.551 20 0 BDADRP CC(C)CO[C@@H]1C[C@@H]([NH2+]CCC[NH3+])C1(C)C ZINC000082923085 349214456 /nfs/dbraw/zinc/21/44/56/349214456.db2.gz PFOQUZRKFXBZOO-VXGBXAGGSA-N 2 0 228.380 1.765 20 0 BDADRP C[C@H](c1cnccn1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252840451 349218655 /nfs/dbraw/zinc/21/86/55/349218655.db2.gz BPFRPQXEPYUVJX-VOAKCMCISA-N 2 0 246.358 1.597 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000252159221 349196955 /nfs/dbraw/zinc/19/69/55/349196955.db2.gz PPIFIUKUWLVFTM-FVCCEPFGSA-N 2 0 228.380 1.872 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)C(=O)NC(C)(C)C ZINC000252798651 349207249 /nfs/dbraw/zinc/20/72/49/349207249.db2.gz OYTLREYAXMDMPY-GARJFASQSA-N 2 0 241.379 1.149 20 0 BDADRP CSC1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000300832903 349357434 /nfs/dbraw/zinc/35/74/34/349357434.db2.gz KRJXKRVUFJGFIX-NSHDSACASA-N 2 0 228.405 1.813 20 0 BDADRP CC[C@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)OC ZINC000623528547 362946688 /nfs/dbraw/zinc/94/66/88/362946688.db2.gz SMZPSWIXISAJPH-VXGBXAGGSA-N 2 0 228.380 1.874 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)[C@H]([NH3+])C2CCC2)cc1 ZINC000422544994 192425783 /nfs/dbraw/zinc/42/57/83/192425783.db2.gz VYOZEAGEQPCIIR-GFCCVEGCSA-N 2 0 233.315 1.211 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422563140 192427456 /nfs/dbraw/zinc/42/74/56/192427456.db2.gz RWSUOFIYYGGQDO-CRWXNKLISA-N 2 0 241.423 1.665 20 0 BDADRP CC[C@@H](COC)[NH2+]CC1CC[NH+](CC)CC1 ZINC000070656740 350040112 /nfs/dbraw/zinc/04/01/12/350040112.db2.gz AXCNRYPERFVHBY-ZDUSSCGKSA-N 2 0 228.380 1.733 20 0 BDADRP CC[C@@H](COC)[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000070656682 350040129 /nfs/dbraw/zinc/04/01/29/350040129.db2.gz WQNKMXCKBMGFDT-STQMWFEESA-N 2 0 228.380 1.731 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)CO1 ZINC000402208864 350043923 /nfs/dbraw/zinc/04/39/23/350043923.db2.gz IXEAMSKMEXGYGD-RXGFPQBGSA-N 2 0 226.364 1.482 20 0 BDADRP CCCN(Cc1nccn1CC)[C@@H]1CC[NH2+]C1 ZINC000071332222 350101425 /nfs/dbraw/zinc/10/14/25/350101425.db2.gz XMAOOCXZINWXPH-GFCCVEGCSA-N 2 0 236.363 1.477 20 0 BDADRP CCCC[C@@H]([NH3+])C(=O)Nc1ccc(C[NH3+])cc1 ZINC000427310116 191057998 /nfs/dbraw/zinc/05/79/98/191057998.db2.gz XOXPRXMRESRXDL-GFCCVEGCSA-N 2 0 235.331 1.601 20 0 BDADRP [NH3+]CC[C@H]1CCC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000083528257 350237359 /nfs/dbraw/zinc/23/73/59/350237359.db2.gz INDFFHNGVQBPEB-OLZOCXBDSA-N 2 0 226.364 1.616 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)c1ccccn1 ZINC000422748900 192452172 /nfs/dbraw/zinc/45/21/72/192452172.db2.gz WRKVDOKFYIYJKZ-DCAQKATOSA-N 2 0 207.321 1.858 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc2c(c1)OCO2 ZINC000422748563 192453484 /nfs/dbraw/zinc/45/34/84/192453484.db2.gz VBDLRRXWTUJBOS-UWVGGRQHSA-N 2 0 236.315 1.631 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1NCCC[NH+]1CCCC1 ZINC000422776912 192463439 /nfs/dbraw/zinc/46/34/39/192463439.db2.gz BEWMJCSZOFPXPC-CHWSQXEVSA-N 2 0 225.380 1.060 20 0 BDADRP Cc1ccc(CN2CCC[NH2+]CC2)s1 ZINC000038086937 350304459 /nfs/dbraw/zinc/30/44/59/350304459.db2.gz LBEVVKMSFXGBCO-UHFFFAOYSA-N 2 0 210.346 1.852 20 0 BDADRP CCC[C@H]([NH2+]C[C@H](O)C[N@H+](C)CC)C1CCC1 ZINC000325109075 350313787 /nfs/dbraw/zinc/31/37/87/350313787.db2.gz YWDTZKXAJAQAPG-KBPBESRZSA-N 2 0 242.407 1.857 20 0 BDADRP [NH3+][C@H]1CCN(Cc2ccc(OC(F)F)cc2)C1 ZINC000050227796 350315403 /nfs/dbraw/zinc/31/54/03/350315403.db2.gz OJQMROCKYVANRS-JTQLQIEISA-N 2 0 242.269 1.821 20 0 BDADRP CCOC1CC([NH2+]CC2CC[NH+](C)CC2)C1 ZINC000162850946 350445068 /nfs/dbraw/zinc/44/50/68/350445068.db2.gz MUXLVWVXSCJOQV-UHFFFAOYSA-N 2 0 226.364 1.485 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@@H]1CCCSC1 ZINC000061589416 350519054 /nfs/dbraw/zinc/51/90/54/350519054.db2.gz OIICJHXGFRPGRE-LLVKDONJSA-N 2 0 216.394 1.813 20 0 BDADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1cnccn1 ZINC000070025703 350496071 /nfs/dbraw/zinc/49/60/71/350496071.db2.gz UMNILMINJXNNTR-NSHDSACASA-N 2 0 222.336 1.469 20 0 BDADRP COCCN1CCC[C@@H]1C[NH2+][C@@H](C)C1(C)CC1 ZINC000163419539 350521113 /nfs/dbraw/zinc/52/11/13/350521113.db2.gz CBJZNMHINYDZME-QWHCGFSZSA-N 2 0 240.391 1.875 20 0 BDADRP CC1(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)COC1 ZINC000070616971 350550296 /nfs/dbraw/zinc/55/02/96/350550296.db2.gz QXCMVNUMKBSSFF-LLVKDONJSA-N 2 0 224.348 1.097 20 0 BDADRP C[C@H](C[NH2+]CC1(C)COC1)C[NH+]1CCCC1 ZINC000070617526 350551130 /nfs/dbraw/zinc/55/11/30/350551130.db2.gz WEVRAFCUKQMEJK-GFCCVEGCSA-N 2 0 226.364 1.344 20 0 BDADRP CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000577528236 365977543 /nfs/dbraw/zinc/97/75/43/365977543.db2.gz GSBUQFFCUPZMLK-RNJOBUHISA-N 2 0 226.364 1.804 20 0 BDADRP CC(C)[C@H](O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000336158640 535150859 /nfs/dbraw/zinc/15/08/59/535150859.db2.gz IHTCSNPKXRIEML-ZIAGYGMSSA-N 2 0 240.391 1.421 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CO1 ZINC000623558885 362980787 /nfs/dbraw/zinc/98/07/87/362980787.db2.gz MDFHKLQHUSSYIB-IJLUTSLNSA-N 2 0 226.364 1.626 20 0 BDADRP CC(C)C[C@@H](C[NH2+][C@H](C)CCC[NH3+])N(C)C ZINC000336670240 191124694 /nfs/dbraw/zinc/12/46/94/191124694.db2.gz RQTRKBBSZVWRTF-OLZOCXBDSA-N 2 0 229.412 1.680 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCOC[C@@H]1C ZINC000300900130 191129218 /nfs/dbraw/zinc/12/92/18/191129218.db2.gz VZKYISKZYHTMRK-QWHCGFSZSA-N 2 0 228.380 1.731 20 0 BDADRP [NH3+]CCN1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC000616634371 351116971 /nfs/dbraw/zinc/11/69/71/351116971.db2.gz QQGOXZOSUKBGBA-LBPRGKRZSA-N 2 0 239.750 1.245 20 0 BDADRP COc1ccc(C[NH2+]CCCC[NH3+])c(F)c1 ZINC000404953120 351291483 /nfs/dbraw/zinc/29/14/83/351291483.db2.gz RCZTXHGAHUKWLA-UHFFFAOYSA-N 2 0 226.295 1.663 20 0 BDADRP CC[NH2+]Cc1cccc(NC(=O)[C@@H](C)[NH+](C)C)c1 ZINC000637808986 351645435 /nfs/dbraw/zinc/64/54/35/351645435.db2.gz ONFFMNUTKDCQSU-LLVKDONJSA-N 2 0 249.358 1.685 20 0 BDADRP CC[NH+]1CCN([C@@H](C)C[NH2+]CC2(C)CC2)CC1 ZINC000577693606 366036391 /nfs/dbraw/zinc/03/63/91/366036391.db2.gz PGRWITPZALJMOA-ZDUSSCGKSA-N 2 0 239.407 1.402 20 0 BDADRP CC[NH2+][C@H](C)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000637841296 351697287 /nfs/dbraw/zinc/69/72/87/351697287.db2.gz OEKKUVHLVHRBQH-SNVBAGLBSA-N 2 0 247.342 1.269 20 0 BDADRP C[C@H]([NH3+])CC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000637841598 351697523 /nfs/dbraw/zinc/69/75/23/351697523.db2.gz UXEFNLVQLPDCHP-VIFPVBQESA-N 2 0 233.315 1.008 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)[C@@H]([NH3+])CCC(C)C ZINC000637858487 351720502 /nfs/dbraw/zinc/72/05/02/351720502.db2.gz FKYBLXWFCJMJBA-NSHDSACASA-N 2 0 243.395 1.384 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]([NH3+])CCC(C)C ZINC000637867602 351731166 /nfs/dbraw/zinc/73/11/66/351731166.db2.gz VUMAHSJMVMMIGU-VXGBXAGGSA-N 2 0 243.395 1.384 20 0 BDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H](C)[NH3+])C[C@@H]1C ZINC000638123621 351996593 /nfs/dbraw/zinc/99/65/93/351996593.db2.gz RAKLQKVZCPBHIB-SDDRHHMPSA-N 2 0 241.379 1.055 20 0 BDADRP CC[N@H+](C)C[C@@H]1CCN(Cc2ccc(=O)[nH]c2)C1 ZINC000638131964 352001707 /nfs/dbraw/zinc/00/17/07/352001707.db2.gz FFLARHYDPZMPPC-ZDUSSCGKSA-N 2 0 249.358 1.561 20 0 BDADRP C[NH+](C)CC1(C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000638174454 352044547 /nfs/dbraw/zinc/04/45/47/352044547.db2.gz OGVHANWESNYONI-UHFFFAOYSA-N 2 0 247.342 1.426 20 0 BDADRP C[NH+](C)CCC[NH2+]CCC[C@@H]1CCO1 ZINC000638291018 352127391 /nfs/dbraw/zinc/12/73/91/352127391.db2.gz YFJXLHSMKRMNCI-LLVKDONJSA-N 2 0 200.326 1.097 20 0 BDADRP CC(C)CC[C@@H]([NH3+])C(=O)N[C@H](C)CCCC[NH3+] ZINC000638244702 352092434 /nfs/dbraw/zinc/09/24/34/352092434.db2.gz YCEBLNSSLFHNHW-VXGBXAGGSA-N 2 0 243.395 1.384 20 0 BDADRP CC(C)CC[C@@H]([NH3+])C(=O)NC(C)(C)CCC[NH3+] ZINC000638250897 352094791 /nfs/dbraw/zinc/09/47/91/352094791.db2.gz KVWZAXIRIGAYBW-LLVKDONJSA-N 2 0 243.395 1.384 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)C2=CC[C@H]([NH3+])C2)c1 ZINC000638366836 352178155 /nfs/dbraw/zinc/17/81/55/352178155.db2.gz SEOSIEASOHZSEM-LBPRGKRZSA-N 2 0 245.326 1.440 20 0 BDADRP CC[C@H](C(=O)NCc1ccc(C[NH3+])cc1)[NH+](C)C ZINC000638373717 352186401 /nfs/dbraw/zinc/18/64/01/352186401.db2.gz IFHDNXFUZRJTAD-CYBMUJFWSA-N 2 0 249.358 1.102 20 0 BDADRP CC[C@@H](C(=O)NCc1ccc(C[NH3+])cc1)[NH+](C)C ZINC000638373718 352186574 /nfs/dbraw/zinc/18/65/74/352186574.db2.gz IFHDNXFUZRJTAD-ZDUSSCGKSA-N 2 0 249.358 1.102 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+]CCC[C@H]2CCO2)C1 ZINC000638381001 352190925 /nfs/dbraw/zinc/19/09/25/352190925.db2.gz HCINXGGAFNTFPG-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP C1C[NH2+][C@H]([C@H]2CCC[C@H]2N[C@H]2CCC[NH2+]C2)C1 ZINC000414914966 352262713 /nfs/dbraw/zinc/26/27/13/352262713.db2.gz YTDYZJWSLIKSCR-RFQIPJPRSA-N 2 0 237.391 1.249 20 0 BDADRP C[C@]1(C[NH2+]C[C@@H]2CCSC2)CCC[NH2+]C1 ZINC000414918267 352273900 /nfs/dbraw/zinc/27/39/00/352273900.db2.gz UCRJJGQASZBBOQ-RYUDHWBXSA-N 2 0 228.405 1.719 20 0 BDADRP C[NH+]1CCC(C[NH2+]CCC[C@H]2CCO2)CC1 ZINC000638566985 352393621 /nfs/dbraw/zinc/39/36/21/352393621.db2.gz VAYDVPFYUBRHIT-ZDUSSCGKSA-N 2 0 226.364 1.487 20 0 BDADRP C[NH+]1CCC(C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000638568021 352395779 /nfs/dbraw/zinc/39/57/79/352395779.db2.gz VOCPBSLTSCVXCC-BTTYYORXSA-N 2 0 222.376 1.964 20 0 BDADRP C(C[NH2+][C@H]1CCN(CC2CC2)C1)C[C@@H]1CCO1 ZINC000638581599 352412759 /nfs/dbraw/zinc/41/27/59/352412759.db2.gz CJKFNWPQHBHOEE-UONOGXRCSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@H](C[NH2+]CCC[C@H]1CCO1)N(C)C1CC1 ZINC000638574380 352404770 /nfs/dbraw/zinc/40/47/70/352404770.db2.gz DDHOWRYJDXWIKX-YPMHNXCESA-N 2 0 226.364 1.628 20 0 BDADRP CCOC1CC(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000638707690 352544084 /nfs/dbraw/zinc/54/40/84/352544084.db2.gz KGLFZJSXXZGMOU-AHPWVWPOSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@H](O)CC[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000380172643 352558516 /nfs/dbraw/zinc/55/85/16/352558516.db2.gz DUQNWNUTORGVJR-RHYQMDGZSA-N 2 0 214.353 1.076 20 0 BDADRP CCOC[C@H](C)[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415014123 352550475 /nfs/dbraw/zinc/55/04/75/352550475.db2.gz ZHQLWVRXYMSYSR-QJPTWQEYSA-N 2 0 214.353 1.519 20 0 BDADRP C[N@H+](CCc1ccncc1)C[C@H]1CCC[NH2+]C1 ZINC000041261880 352605863 /nfs/dbraw/zinc/60/58/63/352605863.db2.gz BVAKBFHEZGCWMT-AWEZNQCLSA-N 2 0 233.359 1.556 20 0 BDADRP C[C@@H]1C[C@@H](N2CC([NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000307556031 352648088 /nfs/dbraw/zinc/64/80/88/352648088.db2.gz YQIAMNNJLARDCH-IUODEOHRSA-N 2 0 245.370 1.292 20 0 BDADRP Cc1nocc1CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000334349944 352981319 /nfs/dbraw/zinc/98/13/19/352981319.db2.gz FFVAJRKEXDRULV-JSGCOSHPSA-N 2 0 249.358 1.899 20 0 BDADRP CC[C@H](C(=O)N1CCCCC[C@@H]([NH3+])C1)[NH+](C)C ZINC000638816422 352997130 /nfs/dbraw/zinc/99/71/30/352997130.db2.gz SCDVPOSZJHWPEF-VXGBXAGGSA-N 2 0 241.379 1.057 20 0 BDADRP CC[C@@](C)(C[NH2+]CCN1CC[C@@H](C)C1)OC ZINC000638870670 353043048 /nfs/dbraw/zinc/04/30/48/353043048.db2.gz FMZCPCSPMGVQDR-OLZOCXBDSA-N 2 0 228.380 1.733 20 0 BDADRP CC[C@](C)(C[N@@H+]1CC[C@H]2CCN(C)C[C@H]21)OC ZINC000638918769 353083086 /nfs/dbraw/zinc/08/30/86/353083086.db2.gz TWFGPDYOHGTXES-MGPQQGTHSA-N 2 0 240.391 1.828 20 0 BDADRP CC(C)([NH3+])C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000261978172 535199494 /nfs/dbraw/zinc/19/94/94/535199494.db2.gz RBMURRHPGLKTIB-ZDUSSCGKSA-N 2 0 226.364 1.616 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000638938935 353121308 /nfs/dbraw/zinc/12/13/08/353121308.db2.gz ZFSRTLKYYSODQA-WXHSDQCUSA-N 2 0 247.342 1.025 20 0 BDADRP CC(C)(C[NH2+]C1CCOCC1)C[NH+]1CCCC1 ZINC000357843526 188067374 /nfs/dbraw/zinc/06/73/74/188067374.db2.gz CIWHWRYPPMUURR-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC2(C1)CCOCC2 ZINC000302636361 188074776 /nfs/dbraw/zinc/07/47/76/188074776.db2.gz DYDVKZODAYQPBB-CYBMUJFWSA-N 2 0 240.391 1.862 20 0 BDADRP CC(C)[C@@](C)(C[NH3+])[NH2+]CCC(F)(F)F ZINC000336695574 188082580 /nfs/dbraw/zinc/08/25/80/188082580.db2.gz SUJMXWHITGBCML-MRVPVSSYSA-N 2 0 212.259 1.902 20 0 BDADRP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C(C)C ZINC000042588493 188084624 /nfs/dbraw/zinc/08/46/24/188084624.db2.gz RNBSUQZETBOMIE-OLZOCXBDSA-N 2 0 228.380 1.467 20 0 BDADRP CC(C)[N@H+](C)CCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000250491745 188086845 /nfs/dbraw/zinc/08/68/45/188086845.db2.gz HHPAYLYTWCEPQT-NWDGAFQWSA-N 2 0 213.369 1.044 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CCN(C)c1ccccc1 ZINC000422814477 192478792 /nfs/dbraw/zinc/47/87/92/192478792.db2.gz VARMEYQNVZBYLC-ZDUSSCGKSA-N 2 0 235.375 1.840 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCCCO1)C1CC[NH+](C)CC1 ZINC000042815000 188120339 /nfs/dbraw/zinc/12/03/39/188120339.db2.gz PZPBIHXQCJXGHL-TZMCWYRMSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)[NH+]1CCC(N[C@@H]2CC[N@H+](C)C2)CC1 ZINC000042543889 188120694 /nfs/dbraw/zinc/12/06/94/188120694.db2.gz OXWLCVCIUZGFFF-CYBMUJFWSA-N 2 0 225.380 1.153 20 0 BDADRP Cc1cc(N[C@@H]2CCC[C@@H]2C[NH3+])cc[nH+]1 ZINC000229575996 188159418 /nfs/dbraw/zinc/15/94/18/188159418.db2.gz GZCSCSBCYAORAB-ZYHUDNBSSA-N 2 0 205.305 1.929 20 0 BDADRP COC[C@H](Cc1ccccc1)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422822396 192480466 /nfs/dbraw/zinc/48/04/66/192480466.db2.gz JVPMSIUFZPJEQE-WFASDCNBSA-N 2 0 248.370 1.442 20 0 BDADRP C([NH2+][C@H]1CCOC1)C1CC[NH+](C2CC2)CC1 ZINC000336652128 188163157 /nfs/dbraw/zinc/16/31/57/188163157.db2.gz FMLBGSXRDTYEOE-LBPRGKRZSA-N 2 0 224.348 1.239 20 0 BDADRP CC(C)(C[NH2+][C@H]1CCOC1)C[NH+]1CCCC1 ZINC000336663610 188163256 /nfs/dbraw/zinc/16/32/56/188163256.db2.gz KTTVCSQIKOABJC-LBPRGKRZSA-N 2 0 226.364 1.487 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)CCCCO)CC1 ZINC000352782251 188193580 /nfs/dbraw/zinc/19/35/80/188193580.db2.gz GREQILDDGQAKQB-ZDUSSCGKSA-N 2 0 242.407 2.000 20 0 BDADRP [NH3+]CC1(NC(=O)CC2([NH3+])CCC2)CCCCC1 ZINC000639002162 353250110 /nfs/dbraw/zinc/25/01/10/353250110.db2.gz YILYLBGMNIBMTM-UHFFFAOYSA-N 2 0 239.363 1.036 20 0 BDADRP C=Cn1cc(C[NH2+]CCCC[NH+](C)C)cn1 ZINC000234249454 188189751 /nfs/dbraw/zinc/18/97/51/188189751.db2.gz MTEUOSICCNKUHL-UHFFFAOYSA-N 2 0 222.336 1.415 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCO[C@@H]1C ZINC000125289241 188190764 /nfs/dbraw/zinc/19/07/64/188190764.db2.gz GVAXNYAVRNFRIV-NEPJUHHUSA-N 2 0 214.353 1.484 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@H]1CCCCC[C@H]1[NH3+] ZINC000331966789 188190815 /nfs/dbraw/zinc/19/08/15/188190815.db2.gz KYLSMSPCRIIFFL-UTUOFQBUSA-N 2 0 213.369 1.219 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000043427978 188216830 /nfs/dbraw/zinc/21/68/30/188216830.db2.gz NSKJYGFQPCMRSK-OLZOCXBDSA-N 2 0 224.348 1.239 20 0 BDADRP CC(C)[N@H+](C)CCNC(=O)c1ccc(C[NH3+])cc1 ZINC000054110890 188220095 /nfs/dbraw/zinc/22/00/95/188220095.db2.gz IHZXQUTVLISJTA-UHFFFAOYSA-N 2 0 249.358 1.215 20 0 BDADRP CC(C)[NH+](CCN[C@H]1CCC[NH2+]CC1)C(C)C ZINC000128836702 188221500 /nfs/dbraw/zinc/22/15/00/188221500.db2.gz QBERLQDCSICDDC-AWEZNQCLSA-N 2 0 241.423 1.837 20 0 BDADRP CN(C[C@H]1CCC[N@@H+]1C)C[C@H]1CCC[NH2+]C1 ZINC000252577828 353299848 /nfs/dbraw/zinc/29/98/48/353299848.db2.gz JTFKXJLLIMVYTB-QWHCGFSZSA-N 2 0 225.380 1.012 20 0 BDADRP CC[NH+]1CCC([NH2+]CC[C@@H](C)OC)CC1 ZINC000336772628 353316073 /nfs/dbraw/zinc/31/60/73/353316073.db2.gz XVYGDLFXNFSPFP-LLVKDONJSA-N 2 0 214.353 1.485 20 0 BDADRP C[C@H]([NH3+])CC(=O)N1CC[C@@H](C[NH3+])c2ccccc21 ZINC000639065779 353376897 /nfs/dbraw/zinc/37/68/97/353376897.db2.gz XLHOKVKJOZDHAY-QWRGUYRKSA-N 2 0 247.342 1.203 20 0 BDADRP CC[C@H]([NH3+])C(=O)N1CC[C@@H](C[NH3+])c2ccccc21 ZINC000639071159 353386978 /nfs/dbraw/zinc/38/69/78/353386978.db2.gz GKWBXSCARGTSHC-JQWIXIFHSA-N 2 0 247.342 1.203 20 0 BDADRP CC[NH+](CC)CCCCNC(=O)CC[C@H](C)[NH3+] ZINC000193299521 353589137 /nfs/dbraw/zinc/58/91/37/353589137.db2.gz VJCMXWUWEPFKLA-LBPRGKRZSA-N 2 0 243.395 1.352 20 0 BDADRP CC(C)(C)[NH2+]CCNCCc1ccccn1 ZINC000230968843 353556365 /nfs/dbraw/zinc/55/63/65/353556365.db2.gz XBKWZBFTIMHYRA-UHFFFAOYSA-N 2 0 221.348 1.602 20 0 BDADRP C[NH2+]C[C@H](C)c1nc(C2([NH3+])CCCC2)no1 ZINC000577869193 366092347 /nfs/dbraw/zinc/09/23/47/366092347.db2.gz ZOHCRNTXVRTTKG-QMMMGPOBSA-N 2 0 224.308 1.121 20 0 BDADRP C[NH2+]C[C@@H](C)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000178231304 366106726 /nfs/dbraw/zinc/10/67/26/366106726.db2.gz NRCWNFRQXYNKCP-ZJUUUORDSA-N 2 0 235.331 1.500 20 0 BDADRP C1=CCN(CC[NH2+]CCC[C@@H]2CCO2)CC1 ZINC000639124240 353807013 /nfs/dbraw/zinc/80/70/13/353807013.db2.gz RZMSIMILMJLNJC-CYBMUJFWSA-N 2 0 224.348 1.407 20 0 BDADRP C[C@H](C[NH2+]C1CCOCC1)C[NH+]1CCCCC1 ZINC000038041969 358481660 /nfs/dbraw/zinc/48/16/60/358481660.db2.gz LWTNIMAQRBBMFN-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP CCC[C@H](C[N@H+](C)CCC[NH+](C)C)OC ZINC000639168419 354073601 /nfs/dbraw/zinc/07/36/01/354073601.db2.gz UCFIMRHCVWTYRG-GFCCVEGCSA-N 2 0 216.369 1.685 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@H]1NCC[NH+](C)C1CCCC1 ZINC000344226792 354183964 /nfs/dbraw/zinc/18/39/64/354183964.db2.gz DMGVHZJJLBEOPF-TZMCWYRMSA-N 2 0 239.407 1.401 20 0 BDADRP C[N@H+](C[C@@H]1CCOC1)[C@@H]1CCC[NH2+]CC1 ZINC000231669131 363347200 /nfs/dbraw/zinc/34/72/00/363347200.db2.gz CGAIQBLTQDXZFI-NWDGAFQWSA-N 2 0 212.337 1.097 20 0 BDADRP CCSCC[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231670243 363347300 /nfs/dbraw/zinc/34/73/00/363347300.db2.gz MWAAMUJMZHWTOP-NSHDSACASA-N 2 0 216.394 1.813 20 0 BDADRP COC[C@@H](CC(C)C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000344300750 354211991 /nfs/dbraw/zinc/21/19/91/354211991.db2.gz QFZFJODDUSWQPU-CQSZACIVSA-N 2 0 240.391 1.899 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000334598693 354233725 /nfs/dbraw/zinc/23/37/25/354233725.db2.gz XIDAWGTWFTTZHA-DGCLKSJQSA-N 3 0 225.380 1.045 20 0 BDADRP CC(C)[NH+]1CCC(N[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000334617472 354305724 /nfs/dbraw/zinc/30/57/24/354305724.db2.gz YKTSVJUCQWIQJM-ZIAGYGMSSA-N 2 0 239.407 1.719 20 0 BDADRP CCN1C[C@H](C)[C@H]([NH2+]C[C@H]2CCCC[C@H]2O)C1 ZINC000344439122 354273522 /nfs/dbraw/zinc/27/35/22/354273522.db2.gz LAQQRFXBLLFFNY-REWJHTLYSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000344763282 354355820 /nfs/dbraw/zinc/35/58/20/354355820.db2.gz UEYAUDCDPOYPEM-SYQHCUMBSA-N 2 0 239.407 1.399 20 0 BDADRP CC[C@H](C(=O)NC[C@H](C)[NH+](C)C)[NH+](CC)CC ZINC000344651840 354337952 /nfs/dbraw/zinc/33/79/52/354337952.db2.gz GKYTXSUSSFBRRG-NWDGAFQWSA-N 2 0 243.395 1.173 20 0 BDADRP Cc1nc(C[NH2+][C@H]2CCc3nc[nH]c3C2)cs1 ZINC000334646502 354436546 /nfs/dbraw/zinc/43/65/46/354436546.db2.gz JBCNVWVQBYSDRN-VIFPVBQESA-N 2 0 248.355 1.822 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+]CCC[NH2+]C)C1(C)C ZINC000233760497 363407034 /nfs/dbraw/zinc/40/70/34/363407034.db2.gz PYCWGTHUKLRJLB-QWRGUYRKSA-N 2 0 214.353 1.389 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CC=CCC1 ZINC000234743951 363429385 /nfs/dbraw/zinc/42/93/85/363429385.db2.gz XSKRQHWZZUJDAI-NWDGAFQWSA-N 2 0 212.337 1.439 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C1CCCC1 ZINC000234776774 363430280 /nfs/dbraw/zinc/43/02/80/363430280.db2.gz BNFZYDNDKTUMPF-NSHDSACASA-N 2 0 200.326 1.273 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)CC(C)C ZINC000234810447 363431419 /nfs/dbraw/zinc/43/14/19/363431419.db2.gz OIOOCRYUYAEZPI-NEPJUHHUSA-N 2 0 216.369 1.765 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC1(C)C ZINC000234805718 363431841 /nfs/dbraw/zinc/43/18/41/363431841.db2.gz UHPNCAGOCXJCAA-VHSXEESVSA-N 2 0 200.326 1.128 20 0 BDADRP CSCCC[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000235048832 363435446 /nfs/dbraw/zinc/43/54/46/363435446.db2.gz KUPDSVRZVAFSCP-NSHDSACASA-N 2 0 216.394 1.671 20 0 BDADRP C[C@H]([NH2+][C@@H]1CSC1(C)C)C1C[NH2+]C1 ZINC000335167210 354926420 /nfs/dbraw/zinc/92/64/20/354926420.db2.gz DPMMXGJLAZHTGZ-IONNQARKSA-N 2 0 200.351 1.078 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCCOC2)CC[NH2+]1 ZINC000530213018 324529312 /nfs/dbraw/zinc/52/93/12/324529312.db2.gz SUBAAPHHJYUASD-JHJVBQTASA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H](CCC1CC1)[NH2+]C[C@@H]1CN(C)CCN1C ZINC000346593063 354986617 /nfs/dbraw/zinc/98/66/17/354986617.db2.gz KTVSHSOUXOFKNA-TZMCWYRMSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@@H](CC1CCOCC1)C[N@@H+]1CCC[NH2+]CC1 ZINC000346651334 355018904 /nfs/dbraw/zinc/01/89/04/355018904.db2.gz ODMMZDHSXRAASN-ZDUSSCGKSA-N 2 0 240.391 1.735 20 0 BDADRP Cc1ncccc1C[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC000530244784 324555762 /nfs/dbraw/zinc/55/57/62/324555762.db2.gz OJYYEEMRDKSUMI-ZDUSSCGKSA-N 2 0 219.332 1.479 20 0 BDADRP Cc1ncccc1C[NH2+]CC1CC[NH2+]CC1 ZINC000530245138 324555902 /nfs/dbraw/zinc/55/59/02/324555902.db2.gz USSPJSWUOYQVOC-UHFFFAOYSA-N 2 0 219.332 1.479 20 0 BDADRP CC[NH+]1CCC(N[C@@H]2CCC[N@H+](C)[C@H]2C)CC1 ZINC000346786426 355116895 /nfs/dbraw/zinc/11/68/95/355116895.db2.gz DZPDGHPZAFPQCG-GXTWGEPZSA-N 2 0 239.407 1.543 20 0 BDADRP Cc1cc(N)cc(C[NH2+]C2CCN(C)CC2)c1 ZINC000335236947 355098579 /nfs/dbraw/zinc/09/85/79/355098579.db2.gz DWYNBFHPBPSIQA-UHFFFAOYSA-N 2 0 233.359 1.761 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)[C@H]2CC[NH2+]C2)c1 ZINC000335238122 355100021 /nfs/dbraw/zinc/10/00/21/355100021.db2.gz LTEIBPDBCUFTIM-NSHDSACASA-N 2 0 233.315 1.002 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)[C@@]2(C)CC[NH2+]C2)c1 ZINC000335238262 355100062 /nfs/dbraw/zinc/10/00/62/355100062.db2.gz JQUSZOWAIFVYBM-AWEZNQCLSA-N 2 0 247.342 1.392 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)C2([NH3+])CCCC2)c1 ZINC000335238246 355100137 /nfs/dbraw/zinc/10/01/37/355100137.db2.gz IYTBUOAKAJJUPM-UHFFFAOYSA-N 2 0 247.342 1.664 20 0 BDADRP CCOC[C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346971036 355207494 /nfs/dbraw/zinc/20/74/94/355207494.db2.gz GUNLGCTXJYUUOD-UONOGXRCSA-N 2 0 240.391 1.735 20 0 BDADRP CC[N@@H+]1CC[C@@H](N(C)CC(C)(C)[NH3+])[C@@H](C)C1 ZINC000346973903 355209225 /nfs/dbraw/zinc/20/92/25/355209225.db2.gz IMHYYNQKJWRSLO-NWDGAFQWSA-N 2 0 227.396 1.386 20 0 BDADRP CCOC[C@@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346996101 355194796 /nfs/dbraw/zinc/19/47/96/355194796.db2.gz WJDWGJLQAHVVMS-QWHCGFSZSA-N 2 0 226.364 1.344 20 0 BDADRP CC[N@H+](C)C[C@H]1CCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000347005401 355201813 /nfs/dbraw/zinc/20/18/13/355201813.db2.gz PFIXQZHRGQTQTN-ZIAGYGMSSA-N 2 0 239.407 1.260 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]Cc1cccc(O)c1 ZINC000394939614 355292089 /nfs/dbraw/zinc/29/20/89/355292089.db2.gz FHSWYYAGWCHBLK-SNVBAGLBSA-N 2 0 208.305 1.609 20 0 BDADRP CC[NH+](CC)CCOCC[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000414132808 191438711 /nfs/dbraw/zinc/43/87/11/191438711.db2.gz MUVXVOXUJUKGGB-MGPQQGTHSA-N 2 0 242.407 1.979 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@H]2CCC[C@H]2C[NH3+])CCO1 ZINC000388887753 355319545 /nfs/dbraw/zinc/31/95/45/355319545.db2.gz KTBVINQEKJJXDV-NDBYEHHHSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)[C@H]1CCCO1 ZINC000414176989 191453750 /nfs/dbraw/zinc/45/37/50/191453750.db2.gz IQLNSFNCARFFNK-MELADBBJSA-N 2 0 240.391 1.875 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCOC2(C)C)CC1 ZINC000328275024 355373121 /nfs/dbraw/zinc/37/31/21/355373121.db2.gz XLYZPJQBJYEMLC-LBPRGKRZSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCCOC1 ZINC000389011780 355409167 /nfs/dbraw/zinc/40/91/67/355409167.db2.gz SPAZBJIGUWYLHL-QNWHQSFQSA-N 2 0 226.364 1.661 20 0 BDADRP [NH3+]CCN(Cc1ccccc1)CC1(C[NH3+])CC1 ZINC000414669599 191543875 /nfs/dbraw/zinc/54/38/75/191543875.db2.gz LAYQKJLLPNFKFG-UHFFFAOYSA-N 2 0 233.359 1.186 20 0 BDADRP COC1CC([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000349714948 355417945 /nfs/dbraw/zinc/41/79/45/355417945.db2.gz CFQCDHBAVBOHSR-UHFFFAOYSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@@H]1CCN(CC[NH2+]C(C)(C)C)[C@@H](C[NH3+])C1 ZINC000414766526 191564230 /nfs/dbraw/zinc/56/42/30/191564230.db2.gz HTFQTRWNRTVRPO-VXGBXAGGSA-N 2 0 227.396 1.434 20 0 BDADRP C1[C@@H]([NH2+][C@@H]2CCCSC2)[C@@H]1C1CC[NH2+]CC1 ZINC000415010626 191649131 /nfs/dbraw/zinc/64/91/31/191649131.db2.gz PNZUSMQIKNXPGG-FRRDWIJNSA-N 2 0 240.416 1.860 20 0 BDADRP C[C@H]1OCC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415015331 191651408 /nfs/dbraw/zinc/65/14/08/191651408.db2.gz YHXKCXSASLIEGI-LPTSXCQYSA-N 2 0 224.348 1.142 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]Cc1c[nH]nc1C(C)(C)C ZINC000415024395 191655493 /nfs/dbraw/zinc/65/54/93/191655493.db2.gz OYDHDAQWVNZIKP-SNVBAGLBSA-N 2 0 238.379 1.924 20 0 BDADRP C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415029326 191656293 /nfs/dbraw/zinc/65/62/93/191656293.db2.gz ASGJZXBJDSOONY-IJLUTSLNSA-N 2 0 212.337 1.143 20 0 BDADRP [NH2+]=C(NCC[NH+]1CCCC1)Nc1ccccc1 ZINC000054134796 181198923 /nfs/dbraw/zinc/19/89/23/181198923.db2.gz OCJCRUVNGBNBJX-UHFFFAOYSA-N 2 0 232.331 1.719 20 0 BDADRP CCC[NH+]1CCC(NCC2([NH3+])CCC2)CC1 ZINC000414876972 191612559 /nfs/dbraw/zinc/61/25/59/191612559.db2.gz MCIGZLDAQCXRFE-UHFFFAOYSA-N 2 0 225.380 1.332 20 0 BDADRP CC[C@H](C[C@@H](C)CC)[NH2+]CCN1CC[NH2+]CC1 ZINC000414886814 191615151 /nfs/dbraw/zinc/61/51/51/191615151.db2.gz QNWUCYLWOOOCEF-UONOGXRCSA-N 2 0 241.423 1.696 20 0 BDADRP C(C[C@H]1CCC[NH2+]1)[NH2+]C[C@H]1CCSC1 ZINC000414904837 191621085 /nfs/dbraw/zinc/62/10/85/191621085.db2.gz MCUPOEFMNXWDKD-GHMZBOCLSA-N 2 0 214.378 1.471 20 0 BDADRP Cc1ccn2c(C[NH2+][C@H](C)CCC[NH3+])cnc2c1 ZINC000415027102 191657017 /nfs/dbraw/zinc/65/70/17/191657017.db2.gz WBFCSOYMCGNCMX-GFCCVEGCSA-N 2 0 246.358 1.860 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+]CCC[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000414968608 191636111 /nfs/dbraw/zinc/63/61/11/191636111.db2.gz RUFGBDFXPRBLNP-MGPQQGTHSA-N 3 0 239.407 1.496 20 0 BDADRP CC[C@H]([NH3+])CN[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000414991040 191642345 /nfs/dbraw/zinc/64/23/45/191642345.db2.gz PYQHYIGQDZKPHE-KKUMJFAQSA-N 2 0 247.386 1.807 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000126209968 324687464 /nfs/dbraw/zinc/68/74/64/324687464.db2.gz VHYRCDYYMDUVDO-DGCLKSJQSA-N 2 0 226.364 1.343 20 0 BDADRP C[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C1 ZINC000415040906 191659940 /nfs/dbraw/zinc/65/99/40/191659940.db2.gz OQLNMMUURQCAFS-FRRDWIJNSA-N 2 0 226.364 1.533 20 0 BDADRP CC(C)[NH2+]CCC[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000582175473 355577325 /nfs/dbraw/zinc/57/73/25/355577325.db2.gz QYIMYGCQNKDNBQ-STQMWFEESA-N 2 0 228.380 1.779 20 0 BDADRP CC[C@@H](C)[C@H](C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)OC ZINC000639313534 355690728 /nfs/dbraw/zinc/69/07/28/355690728.db2.gz XCPMEOIQGGPIFS-MQYQWHSLSA-N 2 0 242.407 1.977 20 0 BDADRP COC[C@H]([NH2+]CCC[N@H+](C)C(C)C)C(C)C ZINC000166566105 355693627 /nfs/dbraw/zinc/69/36/27/355693627.db2.gz UYWJMZUTUMBNRW-ZDUSSCGKSA-N 2 0 230.396 1.977 20 0 BDADRP CN(C)c1cccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000608492893 355818509 /nfs/dbraw/zinc/81/85/09/355818509.db2.gz IPSHINKFRIVQSG-OKILXGFUSA-N 2 0 245.370 1.404 20 0 BDADRP CCC1(C[NH2+][C@@H]2CC[NH2+]C2)CCOCC1 ZINC000261536757 535297052 /nfs/dbraw/zinc/29/70/52/535297052.db2.gz SUZGWBIJXNUKBO-LLVKDONJSA-N 2 0 212.337 1.145 20 0 BDADRP [NH3+]CC1CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC000420267364 192193182 /nfs/dbraw/zinc/19/31/82/192193182.db2.gz FPWRHCGUGQRQDZ-ZDUSSCGKSA-N 2 0 226.364 1.616 20 0 BDADRP [NH3+]CC1CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC000420267362 192193301 /nfs/dbraw/zinc/19/33/01/192193301.db2.gz FPWRHCGUGQRQDZ-CYBMUJFWSA-N 2 0 226.364 1.616 20 0 BDADRP CC[N@H+](CCc1cncn1C)C[C@@H]1CCOC1 ZINC000639453609 356237990 /nfs/dbraw/zinc/23/79/90/356237990.db2.gz KEWMUOJBYCMBOU-LBPRGKRZSA-N 2 0 237.347 1.321 20 0 BDADRP CN(CCc1cnccn1)C[C@@H]1CCC[N@H+](C)C1 ZINC000639496083 356322417 /nfs/dbraw/zinc/32/24/17/356322417.db2.gz UOXXKWFWFQWXLX-CYBMUJFWSA-N 2 0 248.374 1.293 20 0 BDADRP C[C@H](O)CC[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420296755 192205313 /nfs/dbraw/zinc/20/53/13/192205313.db2.gz DTXVRDSDKZBVRV-NWDGAFQWSA-N 2 0 214.353 1.079 20 0 BDADRP CCC[N@H+](CC[C@H]1CC[NH2+]C1)C1CC[NH2+]CC1 ZINC000420318795 192195477 /nfs/dbraw/zinc/19/54/77/192195477.db2.gz OQDNBXOBOQWVEQ-CYBMUJFWSA-N 3 0 239.407 1.450 20 0 BDADRP c1n[nH]cc1[C@@H]1CCCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420319856 192196153 /nfs/dbraw/zinc/19/61/53/192196153.db2.gz PRZWTTDTDRIATC-OCCSQVGLSA-N 2 0 248.374 1.936 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC000420273941 192197414 /nfs/dbraw/zinc/19/74/14/192197414.db2.gz NZNLRDGYJRINIU-KBPBESRZSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@@H](CCNC(=O)CCCC[NH+](C)C)[NH+](C)C ZINC000617751680 356310665 /nfs/dbraw/zinc/31/06/65/356310665.db2.gz AJSWPNWFFSUFPB-LBPRGKRZSA-N 2 0 243.395 1.175 20 0 BDADRP CC(C)[C@H](C(=O)NCC[C@H](C)[NH+](C)C)[NH+](C)C ZINC000617751854 356310761 /nfs/dbraw/zinc/31/07/61/356310761.db2.gz DUUAEDGREWYYMD-NWDGAFQWSA-N 2 0 243.395 1.029 20 0 BDADRP CC(C)[C@@H](C(=O)NCC[C@@H](C)[NH+](C)C)[NH+](C)C ZINC000617751853 356310932 /nfs/dbraw/zinc/31/09/32/356310932.db2.gz DUUAEDGREWYYMD-NEPJUHHUSA-N 2 0 243.395 1.029 20 0 BDADRP C[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)[C@H]1CN ZINC000420289708 192201566 /nfs/dbraw/zinc/20/15/66/192201566.db2.gz KWGIPFUXGGLORH-MCIONIFRSA-N 2 0 239.407 1.435 20 0 BDADRP C[C@@H](C[NH3+])N(C)CCC[NH+]1CCCCC1 ZINC000420291006 192202289 /nfs/dbraw/zinc/20/22/89/192202289.db2.gz MWXHZRPJJJDYMF-LBPRGKRZSA-N 2 0 213.369 1.141 20 0 BDADRP C[NH2+]C[C@H]1CCCN1CC[C@@H]1CCC[NH2+]C1 ZINC000420294093 192203151 /nfs/dbraw/zinc/20/31/51/192203151.db2.gz SJAVCXBYSONOMI-QWHCGFSZSA-N 2 0 225.380 1.060 20 0 BDADRP COCCCC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420338920 192215705 /nfs/dbraw/zinc/21/57/05/192215705.db2.gz YHANMGKEPJOHEE-KGLIPLIRSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@@H]1CCN(CCOCC2CC2)[C@H](C[NH3+])C1 ZINC000420339638 192216763 /nfs/dbraw/zinc/21/67/63/192216763.db2.gz ONSWIQSLOGOWQK-YPMHNXCESA-N 2 0 226.364 1.472 20 0 BDADRP COC(=O)[C@H]1CCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000420352966 192217496 /nfs/dbraw/zinc/21/74/96/192217496.db2.gz BBTOOKVTCUODAA-GFCCVEGCSA-N 2 0 240.347 1.014 20 0 BDADRP CC(C)C[C@H]1COCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420305233 192208344 /nfs/dbraw/zinc/20/83/44/192208344.db2.gz PEPSHRYMUBDABT-KBPBESRZSA-N 2 0 240.391 1.733 20 0 BDADRP [NH3+]CCN(CC[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000420304017 192208413 /nfs/dbraw/zinc/20/84/13/192208413.db2.gz IHVZZSHFMAYEBT-CQSZACIVSA-N 2 0 247.386 1.447 20 0 BDADRP c1cnn([C@@H]2CCC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)c1 ZINC000420316177 192212145 /nfs/dbraw/zinc/21/21/45/192212145.db2.gz LLADMKJTPKRDFY-ZIAGYGMSSA-N 2 0 248.374 1.520 20 0 BDADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)[C@@H]1CCN(C2CC2)C1 ZINC000420317193 192212659 /nfs/dbraw/zinc/21/26/59/192212659.db2.gz MQIBHKWUPDXOKB-GXTWGEPZSA-N 2 0 237.391 1.155 20 0 BDADRP C[C@H]([NH2+]CCOCC[NH3+])c1ccccc1Cl ZINC000420366566 192225873 /nfs/dbraw/zinc/22/58/73/192225873.db2.gz GDILTMFVFQRFLL-JTQLQIEISA-N 2 0 242.750 1.966 20 0 BDADRP CC(C)[NH2+]C1CC[NH+](C[C@@H]2CCO[C@@H]2C)CC1 ZINC000639527510 356376580 /nfs/dbraw/zinc/37/65/80/356376580.db2.gz RRNJYFKTUNFHGE-OLZOCXBDSA-N 2 0 240.391 1.874 20 0 BDADRP CCOC(=O)[C@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000420329142 192229789 /nfs/dbraw/zinc/22/97/89/192229789.db2.gz GJWOBMKSXVTNRU-NSHDSACASA-N 2 0 240.347 1.014 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)[C@@H](C)CN1C ZINC000420355361 192220593 /nfs/dbraw/zinc/22/05/93/192220593.db2.gz FJKTUBMIPYNYQN-RDBSUJKOSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)[C@@H](C)CN1C ZINC000420355356 192220749 /nfs/dbraw/zinc/22/07/49/192220749.db2.gz FJKTUBMIPYNYQN-HZSPNIEDSA-N 2 0 239.407 1.401 20 0 BDADRP CC(C)[C@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000420359976 192221503 /nfs/dbraw/zinc/22/15/03/192221503.db2.gz LITUJIATPWDDOS-ZIAGYGMSSA-N 2 0 240.391 1.733 20 0 BDADRP CC1(C)C[N@H+](CCOCC[NH3+])Cc2ccccc21 ZINC000420360202 192221575 /nfs/dbraw/zinc/22/15/75/192221575.db2.gz LLOWSIDPWZGQQJ-UHFFFAOYSA-N 2 0 248.370 1.755 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000420361813 192222890 /nfs/dbraw/zinc/22/28/90/192222890.db2.gz MSZOTQDFYCQOHK-CHWSQXEVSA-N 3 0 239.407 1.354 20 0 BDADRP C[C@@H]([NH2+]CCOCC[NH3+])[C@H](C)c1ccccc1 ZINC000420399450 192238209 /nfs/dbraw/zinc/23/82/09/192238209.db2.gz HVQBXBBUZYYWLQ-QWHCGFSZSA-N 2 0 236.359 1.744 20 0 BDADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)[C@@H]1CCCOC1 ZINC000420402314 192238211 /nfs/dbraw/zinc/23/82/11/192238211.db2.gz KAPAMNJMUHCASA-GXTWGEPZSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)[C@@H]1CCCOC1 ZINC000420402319 192238706 /nfs/dbraw/zinc/23/87/06/192238706.db2.gz KAPAMNJMUHCASA-TZMCWYRMSA-N 2 0 240.391 1.781 20 0 BDADRP CC[C@@H]1CCC[C@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000420422415 192242554 /nfs/dbraw/zinc/24/25/54/192242554.db2.gz ZLBDOFOIWONEIQ-CHWSQXEVSA-N 2 0 225.380 1.060 20 0 BDADRP CC[N@@H+]1CCN(CC[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC000352676906 356401801 /nfs/dbraw/zinc/40/18/01/356401801.db2.gz VCQHGEUDAOXYIC-ZIAGYGMSSA-N 2 0 239.407 1.497 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCSC1 ZINC000049551862 356481112 /nfs/dbraw/zinc/48/11/12/356481112.db2.gz GSXFHLSOXLIOQA-NXEZZACHSA-N 2 0 202.367 1.422 20 0 BDADRP CC[C@H]1CO[C@@H](C)C[N@@H+]1CCC1CC[NH2+]CC1 ZINC000020593534 356489457 /nfs/dbraw/zinc/48/94/57/356489457.db2.gz OKGDFSXFMIYGJM-JSGCOSHPSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)[C@@](C)(O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192857493 356465195 /nfs/dbraw/zinc/46/51/95/356465195.db2.gz AXQYLDDBVQWUAS-GSPSYOTPSA-N 2 0 240.391 1.608 20 0 BDADRP CN(CC[NH+]1CCCCC1)C[C@H]1CCC[N@@H+]1C ZINC000420995712 192294817 /nfs/dbraw/zinc/29/48/17/192294817.db2.gz DWUJIIIQMQCYJZ-CQSZACIVSA-N 2 0 239.407 1.498 20 0 BDADRP C[C@@H]1CC[C@@H](O)C[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000421020962 192305954 /nfs/dbraw/zinc/30/59/54/192305954.db2.gz NTVMWDWRGOHVIW-JHJVBQTASA-N 2 0 226.364 1.316 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000639653424 356564536 /nfs/dbraw/zinc/56/45/36/356564536.db2.gz AGXORNPDHZCSTQ-BFHYXJOUSA-N 2 0 238.375 1.439 20 0 BDADRP CC(C)[C@](C)(O)C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422981183 192515791 /nfs/dbraw/zinc/51/57/91/192515791.db2.gz SDWHKBKLMYKLHE-HBNTYKKESA-N 2 0 202.342 1.109 20 0 BDADRP Cc1cccc(NCC[NH2+][C@@H](C)CCC[NH3+])n1 ZINC000422920411 192506845 /nfs/dbraw/zinc/50/68/45/192506845.db2.gz MSFQQUVBQYGNEP-NSHDSACASA-N 2 0 236.363 1.519 20 0 BDADRP CSCC[C@H](CO)[NH2+][C@@H](C)CCCC[NH3+] ZINC000422990308 192520564 /nfs/dbraw/zinc/52/05/64/192520564.db2.gz NHVPONOZOOVFAA-WDEREUQCSA-N 2 0 234.409 1.208 20 0 BDADRP CC[NH+]1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000041282612 358507347 /nfs/dbraw/zinc/50/73/47/358507347.db2.gz QCLAYCAZDWSRQZ-UHFFFAOYSA-N 2 0 239.407 1.500 20 0 BDADRP COc1cccc(CC[NH2+]C2CCC([NH3+])CC2)n1 ZINC000423010843 192538463 /nfs/dbraw/zinc/53/84/63/192538463.db2.gz YOQPTPZUUQZSEY-UHFFFAOYSA-N 2 0 249.358 1.492 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1NCC1([NH+](C)C)CCC1 ZINC000423059447 192554073 /nfs/dbraw/zinc/55/40/73/192554073.db2.gz LROBXBFALURHHI-QWHCGFSZSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CCC1(F)CCC1 ZINC000423107004 192570461 /nfs/dbraw/zinc/57/04/61/192570461.db2.gz KFPOUJVJFHICFP-SNVBAGLBSA-N 2 0 202.317 1.986 20 0 BDADRP Cn1cnc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639755418 356658547 /nfs/dbraw/zinc/65/85/47/356658547.db2.gz KJPJNOOKLKRPNK-UHFFFAOYSA-N 2 0 248.374 1.338 20 0 BDADRP Cn1nccc1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639758758 356670100 /nfs/dbraw/zinc/67/01/00/356670100.db2.gz VUEVJWHJIUJXMR-UHFFFAOYSA-N 2 0 248.374 1.338 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000423135929 192581209 /nfs/dbraw/zinc/58/12/09/192581209.db2.gz YKHIEJRUXKDHDS-QCNOEVLYSA-N 2 0 214.328 1.984 20 0 BDADRP CCC[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)OC ZINC000423142983 192585449 /nfs/dbraw/zinc/58/54/49/192585449.db2.gz CBNAPIDOHPQNRY-BPCQOVAHSA-N 2 0 228.380 1.909 20 0 BDADRP CC(C)CCC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639764800 356692156 /nfs/dbraw/zinc/69/21/56/356692156.db2.gz XJCDYUCDIFASMZ-AWEZNQCLSA-N 2 0 242.407 1.811 20 0 BDADRP CC[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000383698769 538664696 /nfs/dbraw/zinc/66/46/96/538664696.db2.gz VGLADBNNUUTJCX-UONOGXRCSA-N 2 0 242.407 1.952 20 0 BDADRP C([NH2+][C@@H]1CCCOC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000070013467 491103076 /nfs/dbraw/zinc/10/30/76/491103076.db2.gz FUMLCSKGSILTDK-NWDGAFQWSA-N 2 0 224.348 1.239 20 0 BDADRP CCC[C@H](O)C[N@H+](C)C1CC[NH+](CCC)CC1 ZINC000450473483 202178180 /nfs/dbraw/zinc/17/81/80/202178180.db2.gz ZRBSQVABUVQKLN-AWEZNQCLSA-N 2 0 242.407 1.954 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]C2CCOCC2)CC1(C)C ZINC000623363518 356813349 /nfs/dbraw/zinc/81/33/49/356813349.db2.gz ZMOJVRLSYJXPLC-LBPRGKRZSA-N 2 0 226.364 1.628 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCCOC2)CC1(C)C ZINC000623370372 356872437 /nfs/dbraw/zinc/87/24/37/356872437.db2.gz HXGSVGPRCZXYGR-QWHCGFSZSA-N 2 0 240.391 1.875 20 0 BDADRP CC1(C)CC[C@H](C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)O1 ZINC000166248065 538710032 /nfs/dbraw/zinc/71/00/32/538710032.db2.gz OXSLMKLYCHJKKN-GRYCIOLGSA-N 2 0 224.348 1.095 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCC(F)(F)[C@H]1O ZINC000423179730 192612409 /nfs/dbraw/zinc/61/24/09/192612409.db2.gz JWASFZUEGUJNFP-AEJSXWLSSA-N 2 0 236.306 1.252 20 0 BDADRP CC(C)[C@H]1CC[C@@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423179559 192612764 /nfs/dbraw/zinc/61/27/64/192612764.db2.gz HKZWBHQZEQFNHV-KGLIPLIRSA-N 2 0 239.407 1.306 20 0 BDADRP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000353494748 538746845 /nfs/dbraw/zinc/74/68/45/538746845.db2.gz DZQBCSWLDWEYIO-MELADBBJSA-N 2 0 240.391 1.467 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)CCC[NH3+])[C@H](O)C(C)C ZINC000423184119 192614449 /nfs/dbraw/zinc/61/44/49/192614449.db2.gz MXLSFZMKEFWRTM-SDDRHHMPSA-N 2 0 216.369 1.499 20 0 BDADRP CC1(C)[C@@H](O)CC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000361402228 356929709 /nfs/dbraw/zinc/92/97/09/356929709.db2.gz HGDHDCQOHASCDD-ZDUSSCGKSA-N 2 0 240.391 1.708 20 0 BDADRP CC1(C)CC[C@@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423185217 192615801 /nfs/dbraw/zinc/61/58/01/192615801.db2.gz NBOWARSSGROHDU-LBPRGKRZSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1C[C@@H](C)O[C@H]1C ZINC000423191045 192618943 /nfs/dbraw/zinc/61/89/43/192618943.db2.gz SISWYLSZNIPGAA-NDBYEHHHSA-N 2 0 228.380 1.907 20 0 BDADRP C[NH2+]CCC[NH2+][C@H](C)c1cccc(CO)c1 ZINC000423199562 192623698 /nfs/dbraw/zinc/62/36/98/192623698.db2.gz KBXHHHAYSNJZHC-LLVKDONJSA-N 2 0 222.332 1.439 20 0 BDADRP C([NH2+][C@H]1CC[C@H]1C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000423221237 192634013 /nfs/dbraw/zinc/63/40/13/192634013.db2.gz ZLCUXBNLKABNEC-WXHSDQCUSA-N 2 0 208.349 1.764 20 0 BDADRP CC(C)C[NH+]1CCC([NH2+][C@H]2CCO[C@@H]2C)CC1 ZINC000120058088 357031367 /nfs/dbraw/zinc/03/13/67/357031367.db2.gz CLPVBBSZNJIBLU-OCCSQVGLSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCN(C(C)(C)C)C1=O ZINC000582302004 357040151 /nfs/dbraw/zinc/04/01/51/357040151.db2.gz RDQBJZWKDFDBNB-DCAQKATOSA-N 2 0 241.379 1.101 20 0 BDADRP COCC1(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000656200523 538784392 /nfs/dbraw/zinc/78/43/92/538784392.db2.gz OJRSSFDGSIYNEJ-MNOVXSKESA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(F)cn1 ZINC000423254053 192654640 /nfs/dbraw/zinc/65/46/40/192654640.db2.gz WWZGUARRXDEGEE-QWRGUYRKSA-N 2 0 237.322 1.871 20 0 BDADRP C[C@@H](N[C@@H](C[NH3+])C1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000423258633 192656516 /nfs/dbraw/zinc/65/65/16/192656516.db2.gz CDWPYUOJIKYDTQ-XBFCOCLRSA-N 2 0 239.407 1.624 20 0 BDADRP Cc1cnccc1CC[N@@H+]1CCn2nncc2C1 ZINC000582429423 357148505 /nfs/dbraw/zinc/14/85/05/357148505.db2.gz SKHJZFXFHMWFID-UHFFFAOYSA-N 2 0 243.314 1.040 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262407548 535354792 /nfs/dbraw/zinc/35/47/92/535354792.db2.gz RWQQKBPKVPAIJS-SRVKXCTJSA-N 2 0 241.379 1.008 20 0 BDADRP Cc1cc(C[NH2+]CC2CC[NH+](C)CC2)ccn1 ZINC000391132000 357122957 /nfs/dbraw/zinc/12/29/57/357122957.db2.gz NRUSCUASLHDZJG-UHFFFAOYSA-N 2 0 233.359 1.821 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@H]1CCCC[C@H]1C[NH3+] ZINC000665282918 491107960 /nfs/dbraw/zinc/10/79/60/491107960.db2.gz DWSHDBIXRVHROF-XQQFMLRXSA-N 2 0 227.396 1.467 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCCC1(C)C ZINC000393754652 357296739 /nfs/dbraw/zinc/29/67/39/357296739.db2.gz VTJNWKAZWFGUGZ-NWDGAFQWSA-N 2 0 228.380 1.467 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C(C)C)C1 ZINC000393791332 357299064 /nfs/dbraw/zinc/29/90/64/357299064.db2.gz ZDHXDVGDXZWTNG-CHWSQXEVSA-N 2 0 228.380 1.277 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1cnccc1N ZINC000423283967 192676853 /nfs/dbraw/zinc/67/68/53/192676853.db2.gz XVBQHBPIWLMFBR-NEPJUHHUSA-N 2 0 248.374 1.534 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000628425448 357252984 /nfs/dbraw/zinc/25/29/84/357252984.db2.gz LIKXJDGTMGZRIH-JHJVBQTASA-N 2 0 210.365 1.964 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2CCCC[C@@H]2O)C[C@H]1C[NH3+] ZINC000393358737 357308363 /nfs/dbraw/zinc/30/83/63/357308363.db2.gz RNTPFJANOVWFOQ-RQJABVFESA-N 2 0 240.391 1.454 20 0 BDADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ccncn1 ZINC000423285232 192677237 /nfs/dbraw/zinc/67/72/37/192677237.db2.gz YBCLJHNAQJGQOR-GVXVVHGQSA-N 2 0 234.347 1.645 20 0 BDADRP Cc1ccc(CC[NH2+][C@@H](C)C[C@@H](C)[NH3+])cn1 ZINC000582839672 357412753 /nfs/dbraw/zinc/41/27/53/357412753.db2.gz HCAUKXYTJRQYKX-PWSUYJOCSA-N 2 0 221.348 1.648 20 0 BDADRP Nc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH2+]CC1 ZINC000582856791 357421560 /nfs/dbraw/zinc/42/15/60/357421560.db2.gz FYTVKVNGICKQGQ-AWEZNQCLSA-N 2 0 231.343 1.598 20 0 BDADRP CC(C)[NH2+]CCC[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000582899097 357424822 /nfs/dbraw/zinc/42/48/22/357424822.db2.gz WNQUYIOUYPUUAU-NWDGAFQWSA-N 2 0 214.353 1.532 20 0 BDADRP Cc1cccc(CC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)n1 ZINC000359016913 538848507 /nfs/dbraw/zinc/84/85/07/538848507.db2.gz UHQASYCJYSIFPN-DOMZBBRYSA-N 2 0 247.386 1.862 20 0 BDADRP COC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000583154255 357497805 /nfs/dbraw/zinc/49/78/05/357497805.db2.gz ZWKRXVMZIUGTHO-FIQHERPVSA-N 2 0 240.347 1.188 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CCOCC2CC2)CC1(C)C ZINC000623410102 357503749 /nfs/dbraw/zinc/50/37/49/357503749.db2.gz APHHAMTWAIAGPG-ZDUSSCGKSA-N 2 0 240.391 1.875 20 0 BDADRP CC[NH+]1CCC([NH2+]CCc2ccn(C)n2)CC1 ZINC000230897761 357578250 /nfs/dbraw/zinc/57/82/50/357578250.db2.gz CWLKMTSMHVFZAM-UHFFFAOYSA-N 2 0 236.363 1.037 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCc2ccn(C)n2)CC[N@@H+]1C ZINC000230898253 357578269 /nfs/dbraw/zinc/57/82/69/357578269.db2.gz WKWUASWJAZLGAA-AAEUAGOBSA-N 2 0 236.363 1.035 20 0 BDADRP CCN(CCC[NH+](CC)CC)C(=O)[C@@H](C)C[NH3+] ZINC000230705575 357572716 /nfs/dbraw/zinc/57/27/16/357572716.db2.gz CDLFARPNIBOYJK-LBPRGKRZSA-N 2 0 243.395 1.162 20 0 BDADRP CCN(CCC[NH+](C)C)C(=O)[C@@H]([NH3+])CC(C)C ZINC000230711140 357573066 /nfs/dbraw/zinc/57/30/66/357573066.db2.gz GIGQPZYAJALQDT-LBPRGKRZSA-N 2 0 243.395 1.160 20 0 BDADRP C(C[C@H]1CCOC1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000230393037 357533238 /nfs/dbraw/zinc/53/32/38/357533238.db2.gz OTAHEXMYSBKCOO-MELADBBJSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@@H]1CC[C@H](C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)O1 ZINC000188551665 357561954 /nfs/dbraw/zinc/56/19/54/357561954.db2.gz OAHFDQYZKPKABD-MGPQQGTHSA-N 2 0 240.391 1.828 20 0 BDADRP CC[C@@H]1CCC[C@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000397604955 357626551 /nfs/dbraw/zinc/62/65/51/357626551.db2.gz PLWCJSSZKHPSQK-CHWSQXEVSA-N 2 0 240.391 1.611 20 0 BDADRP CC[C@H]1CCC[C@@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000397604959 357626563 /nfs/dbraw/zinc/62/65/63/357626563.db2.gz PLWCJSSZKHPSQK-STQMWFEESA-N 2 0 240.391 1.611 20 0 BDADRP C[C@H](CCO)CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000397730456 357674333 /nfs/dbraw/zinc/67/43/33/357674333.db2.gz PXHNBLRBZCWBFF-SRVKXCTJSA-N 2 0 214.353 1.255 20 0 BDADRP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)C[NH3+] ZINC000423302124 192691109 /nfs/dbraw/zinc/69/11/09/192691109.db2.gz HCOGTPVHTBEBML-GRYCIOLGSA-N 2 0 214.353 1.376 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H](C)CCC[NH3+])cc1 ZINC000583262491 357749977 /nfs/dbraw/zinc/74/99/77/357749977.db2.gz GMFUVGONXGDQDT-WDEREUQCSA-N 2 0 249.358 1.564 20 0 BDADRP CC(C)[C@@](C)(O)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623415193 357763185 /nfs/dbraw/zinc/76/31/85/357763185.db2.gz CGZQWRFJRGTXAW-JSGCOSHPSA-N 2 0 242.407 1.856 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CCc1ccco1 ZINC000234721503 357820773 /nfs/dbraw/zinc/82/07/73/357820773.db2.gz FIZOXGGQYMZIIY-LLVKDONJSA-N 2 0 226.320 1.166 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CC1CCSCC1 ZINC000234780771 357828662 /nfs/dbraw/zinc/82/86/62/357828662.db2.gz OOCWKJMGDWARFN-LBPRGKRZSA-N 2 0 246.420 1.473 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CC=CCC1 ZINC000234788883 357828751 /nfs/dbraw/zinc/82/87/51/357828751.db2.gz YWKDTOYBZJOHQX-STQMWFEESA-N 2 0 226.364 1.686 20 0 BDADRP CCC[C@@H](O)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623416041 357828842 /nfs/dbraw/zinc/82/88/42/357828842.db2.gz GTKLDSLCUREWKI-VXGBXAGGSA-N 2 0 228.380 1.610 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccccc1 ZINC000234795397 357828961 /nfs/dbraw/zinc/82/89/61/357828961.db2.gz LUTZGQAZSRCHHB-ZDUSSCGKSA-N 2 0 222.332 1.530 20 0 BDADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCOC[C@@H]2C)C1 ZINC000192499128 357835500 /nfs/dbraw/zinc/83/55/00/357835500.db2.gz PTBSYXJZTINQMW-MELADBBJSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H](C[NH2+]C1CCC(O)CC1)C[NH+]1CCCC1 ZINC000235109262 357845696 /nfs/dbraw/zinc/84/56/96/357845696.db2.gz YUYZIUZEZJEBSC-HSBZDZAISA-N 2 0 240.391 1.611 20 0 BDADRP C[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000192604269 357846147 /nfs/dbraw/zinc/84/61/47/357846147.db2.gz JUWYQFPONZWPOL-YIYPIFLZSA-N 2 0 240.391 1.874 20 0 BDADRP CC(C)[NH2+]CCCN[C@H](C)C[C@H](C)[NH3+] ZINC000584404664 357912570 /nfs/dbraw/zinc/91/25/70/357912570.db2.gz JITAAVAFZPZJHW-WDEREUQCSA-N 2 0 201.358 1.090 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@H]2CCC[NH+]2C)[C@H](CO)C1 ZINC000639936195 357932292 /nfs/dbraw/zinc/93/22/92/357932292.db2.gz AJLMBTWJROFWTO-MCIONIFRSA-N 2 0 240.391 1.564 20 0 BDADRP CC(C)[C@H](c1nc(C2([NH3+])CCC2)no1)[C@H](C)[NH3+] ZINC000584469458 357989608 /nfs/dbraw/zinc/98/96/08/357989608.db2.gz GEGNOACNLCUALP-IUCAKERBSA-N 2 0 238.335 1.494 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCCOC1)C1CC[NH+](C)CC1 ZINC000071011944 491119889 /nfs/dbraw/zinc/11/98/89/491119889.db2.gz UVYDQSQSPQMPGM-DGCLKSJQSA-N 2 0 226.364 1.485 20 0 BDADRP CCC[C@@H](O)C[NH+]1CCC(CC)([NH+](C)C)CC1 ZINC000640016215 358068601 /nfs/dbraw/zinc/06/86/01/358068601.db2.gz WGQJYKWLTSBRSY-CYBMUJFWSA-N 2 0 242.407 1.954 20 0 BDADRP CC(C)[NH2+]CCC(=O)NCC(C)(C)C[NH+](C)C ZINC000037618144 358084210 /nfs/dbraw/zinc/08/42/10/358084210.db2.gz HCNFRQYWXICHSX-UHFFFAOYSA-N 2 0 243.395 1.079 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCC[C@H]2CCC[NH2+]2)C1 ZINC000583882662 358118106 /nfs/dbraw/zinc/11/81/06/358118106.db2.gz OWUONGRVVXXLFZ-UPJWGTAASA-N 3 0 225.380 1.378 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000222894590 358213015 /nfs/dbraw/zinc/21/30/15/358213015.db2.gz UHNURHIVYYERQM-JHJVBQTASA-N 2 0 225.380 1.330 20 0 BDADRP C[C@H](C[NH+]1CCCCC1)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000222959612 358216075 /nfs/dbraw/zinc/21/60/75/358216075.db2.gz QFJPMOUPCFTOPQ-MCIONIFRSA-N 2 0 239.407 1.720 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC[C@@H]1CCCCO1 ZINC000223636585 358229482 /nfs/dbraw/zinc/22/94/82/358229482.db2.gz LETKIBXSAXCIML-AGIUHOORSA-N 2 0 226.364 1.757 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC[C@@H]1CCCCO1 ZINC000223636704 358229608 /nfs/dbraw/zinc/22/96/08/358229608.db2.gz LETKIBXSAXCIML-UPJWGTAASA-N 2 0 226.364 1.757 20 0 BDADRP CCC[N@H+](CC)CCNC(=O)CC[NH2+]C(C)C ZINC000226407127 358339204 /nfs/dbraw/zinc/33/92/04/358339204.db2.gz ZJGSVAHRINGLSZ-UHFFFAOYSA-N 2 0 243.395 1.223 20 0 BDADRP CC(C)(CCO)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000227905684 358366071 /nfs/dbraw/zinc/36/60/71/358366071.db2.gz KUBVSPNWFAVNAL-GHMZBOCLSA-N 2 0 214.353 1.255 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCCO2)C1 ZINC000173895592 134278434 /nfs/dbraw/zinc/27/84/34/134278434.db2.gz QUMBPHPURSNYRJ-OLZOCXBDSA-N 2 0 226.364 1.439 20 0 BDADRP C[C@@H]1CCC[C@H]([NH2+]CCOCC[NH+](C)C)[C@@H]1C ZINC000219307037 134281167 /nfs/dbraw/zinc/28/11/67/134281167.db2.gz OXEHLQLLBOYZAB-MCIONIFRSA-N 2 0 242.407 1.979 20 0 BDADRP CC(C)(C)[C@H](CCO)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000231072998 358414525 /nfs/dbraw/zinc/41/45/25/358414525.db2.gz ZLYQDKGDMLIYBG-UTUOFQBUSA-N 2 0 228.380 1.643 20 0 BDADRP C[C@@H]1CC[N@H+](CCNC2CC[NH+](C)CC2)C1 ZINC000309423208 358544143 /nfs/dbraw/zinc/54/41/43/358544143.db2.gz KASBFSVLDIUYQN-GFCCVEGCSA-N 2 0 225.380 1.012 20 0 BDADRP CC[NH+]1CCC([NH2+]CCc2cnn(C)c2)CC1 ZINC000127992851 358568049 /nfs/dbraw/zinc/56/80/49/358568049.db2.gz BFCVLIMMYSGHQY-UHFFFAOYSA-N 2 0 236.363 1.037 20 0 BDADRP CCOC[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130213875 358615104 /nfs/dbraw/zinc/61/51/04/358615104.db2.gz IWGHKVDEDLWTBD-YNEHKIRRSA-N 2 0 226.364 1.628 20 0 BDADRP CCC[C@H](C(=O)OCC)[NH+]1CCC(C[NH3+])CC1 ZINC000212308225 358590148 /nfs/dbraw/zinc/59/01/48/358590148.db2.gz QVWWQKHMDFYGBJ-GFCCVEGCSA-N 2 0 242.363 1.389 20 0 BDADRP C[C@H]([NH2+]CCC[NH+]1CCCC1)[C@@H]1CCCO1 ZINC000049332462 358683322 /nfs/dbraw/zinc/68/33/22/358683322.db2.gz APOWJVVZSROMDE-STQMWFEESA-N 2 0 226.364 1.629 20 0 BDADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000049559679 358695309 /nfs/dbraw/zinc/69/53/09/358695309.db2.gz YDEHOUYNHABBRR-YPMHNXCESA-N 2 0 249.358 1.143 20 0 BDADRP C[NH+](C)CCCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000131910123 358700353 /nfs/dbraw/zinc/70/03/53/358700353.db2.gz FOSGYWVIFHAFOA-ZIAGYGMSSA-N 2 0 233.359 1.673 20 0 BDADRP C[C@@H](CC1CC1)[NH2+]C[C@@H]1CN(C)CCN1C ZINC000133450613 358755673 /nfs/dbraw/zinc/75/56/73/358755673.db2.gz YWBIBZOOPRFTMB-WCQYABFASA-N 2 0 225.380 1.010 20 0 BDADRP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C1CCC1 ZINC000132629269 358731053 /nfs/dbraw/zinc/73/10/53/358731053.db2.gz SXHQFQJEIYZYPC-YPMHNXCESA-N 2 0 226.364 1.221 20 0 BDADRP CCOCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000222050329 358769412 /nfs/dbraw/zinc/76/94/12/358769412.db2.gz DDNDQPWXNGZRSK-WDEREUQCSA-N 2 0 200.326 1.095 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCO[C@@H]2C)CC1 ZINC000134079076 358779325 /nfs/dbraw/zinc/77/93/25/358779325.db2.gz GYDLQLBTWVOPBE-YPMHNXCESA-N 2 0 226.364 1.626 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H](CC)CCO)CC1 ZINC000134196129 358782616 /nfs/dbraw/zinc/78/26/16/358782616.db2.gz FQIXYFITDUBXKF-LBPRGKRZSA-N 2 0 228.380 1.611 20 0 BDADRP COc1ccc(C[NH2+][C@H](C)CC[NH3+])cc1OC ZINC000136138792 358864858 /nfs/dbraw/zinc/86/48/58/358864858.db2.gz IFHQGMAQGPTELH-SNVBAGLBSA-N 2 0 238.331 1.531 20 0 BDADRP CC(C)CCOCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000086403850 358968533 /nfs/dbraw/zinc/96/85/33/358968533.db2.gz MDRPNNDBVAJWQO-OLZOCXBDSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@H]1CCc2ccccc2OC1 ZINC000423311437 192697558 /nfs/dbraw/zinc/69/75/58/192697558.db2.gz TVCDMWAVVJKTAJ-YPMHNXCESA-N 2 0 234.343 1.565 20 0 BDADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H](C)C[NH3+] ZINC000423314639 192701854 /nfs/dbraw/zinc/70/18/54/192701854.db2.gz YQKBDLKUXDFSJY-DYEKYZERSA-N 2 0 236.359 1.947 20 0 BDADRP C[NH+](C)CCC[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000247007223 359183150 /nfs/dbraw/zinc/18/31/50/359183150.db2.gz TTYRODJTALHHOS-YNEHKIRRSA-N 2 0 240.391 1.731 20 0 BDADRP COC(=O)[C@@H](C)C[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000248030635 359251082 /nfs/dbraw/zinc/25/10/82/359251082.db2.gz KEFYJNRRFMVCLE-NWDGAFQWSA-N 2 0 242.363 1.212 20 0 BDADRP CCOC[C@H](C)[NH2+]CC1CC[NH2+]CC1 ZINC000086700968 359355642 /nfs/dbraw/zinc/35/56/42/359355642.db2.gz UQJANBOHRJQLHG-JTQLQIEISA-N 2 0 200.326 1.001 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)[C@@H](C)O1 ZINC000423431884 192765657 /nfs/dbraw/zinc/76/56/57/192765657.db2.gz MBIDWPAYECSFFK-SJVBDLOYSA-N 2 0 238.375 1.530 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)CCO)CC1(C)C ZINC000623436029 359328439 /nfs/dbraw/zinc/32/84/39/359328439.db2.gz AMBPPJKGDYUYRE-LBPRGKRZSA-N 2 0 242.407 1.857 20 0 BDADRP Cc1cnccc1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000380692942 359352380 /nfs/dbraw/zinc/35/23/80/359352380.db2.gz JDEVEIIBKABAHK-WCQYABFASA-N 2 0 219.332 1.478 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423540547 192807646 /nfs/dbraw/zinc/80/76/46/192807646.db2.gz QRKNRBXFDSRYEX-UONOGXRCSA-N 3 0 237.391 1.403 20 0 BDADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)[C@H]1CCCO1 ZINC000423481808 192807659 /nfs/dbraw/zinc/80/76/59/192807659.db2.gz OODZXTZMVVBCBL-YNEHKIRRSA-N 2 0 226.364 1.676 20 0 BDADRP CC1(C)[C@@H]2C[N@@H+](CC[C@H]3CCC[NH2+]C3)C[C@@H]21 ZINC000379563061 359544458 /nfs/dbraw/zinc/54/44/58/359544458.db2.gz YQZOYMKPTPTHEF-UPJWGTAASA-N 2 0 222.376 1.964 20 0 BDADRP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000379549813 359548192 /nfs/dbraw/zinc/54/81/92/359548192.db2.gz MSKLUHWSHNPJKM-SDDRHHMPSA-N 2 0 210.365 1.948 20 0 BDADRP COC[C@@H](CC(C)C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423545627 192810213 /nfs/dbraw/zinc/81/02/13/192810213.db2.gz YDPDPJJHVAGJIG-CQSZACIVSA-N 2 0 240.391 1.947 20 0 BDADRP Cc1cnccc1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000380791336 359654656 /nfs/dbraw/zinc/65/46/56/359654656.db2.gz FFDQCKCIDXXDFW-LBPRGKRZSA-N 2 0 221.348 1.997 20 0 BDADRP CCC[C@@H](O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000450861099 202292035 /nfs/dbraw/zinc/29/20/35/202292035.db2.gz XVEWITVWLAMLRA-QWHCGFSZSA-N 2 0 228.380 1.564 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CCN2CCC2)CC1(C)C ZINC000623470211 359769522 /nfs/dbraw/zinc/76/95/22/359769522.db2.gz FEINWZMIYPQKAW-LBPRGKRZSA-N 2 0 225.380 1.155 20 0 BDADRP CC[C@H](CO)[N@H+](C)CCC[NH+]1CCCCC1 ZINC000451156569 202368203 /nfs/dbraw/zinc/36/82/03/202368203.db2.gz FKAPMBHWXSBLQR-CYBMUJFWSA-N 2 0 228.380 1.565 20 0 BDADRP CC(CN1CC[C@H](F)C1)C[N@@H+]1CC[C@H](F)C1 ZINC000451200708 202379162 /nfs/dbraw/zinc/37/91/62/202379162.db2.gz SYGYMGLSSHJUNX-RYUDHWBXSA-N 2 0 232.318 1.710 20 0 BDADRP CC[NH2+]CC1CC[NH+]([C@H](C)CCOC)CC1 ZINC000087645388 359921711 /nfs/dbraw/zinc/92/17/11/359921711.db2.gz BDBDWGDOVHEZOK-GFCCVEGCSA-N 2 0 228.380 1.733 20 0 BDADRP OCCC[C@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000087647866 359922176 /nfs/dbraw/zinc/92/21/76/359922176.db2.gz OYPBKJNZCRWFPE-CYBMUJFWSA-N 2 0 226.364 1.223 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000578626324 366612756 /nfs/dbraw/zinc/61/27/56/366612756.db2.gz JPBWYGBZEUMTNG-NNYUYHANSA-N 3 0 213.369 1.090 20 0 BDADRP COC[C@H](C)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000578726406 366632735 /nfs/dbraw/zinc/63/27/35/366632735.db2.gz KJHLZXXHRMRELD-GRYCIOLGSA-N 2 0 214.353 1.247 20 0 BDADRP C[NH+](C)C1CCC([NH2+]C[C@]2(C)CC[NH2+]C2)CC1 ZINC000578769438 366644831 /nfs/dbraw/zinc/64/48/31/366644831.db2.gz RKBDKIPBNWMELJ-JXQTWKCFSA-N 3 0 239.407 1.448 20 0 BDADRP CC[NH2+]CCC[NH2+][C@H](CC)[C@@H]1CCOC1 ZINC000578878307 366664983 /nfs/dbraw/zinc/66/49/83/366664983.db2.gz MVPPFHXYENNXDS-VXGBXAGGSA-N 2 0 214.353 1.391 20 0 BDADRP C[C@H]([NH3+])CCNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000578850054 366656612 /nfs/dbraw/zinc/65/66/12/366656612.db2.gz KEMRWSBRFSNLFO-AAEUAGOBSA-N 2 0 249.358 1.320 20 0 BDADRP CN(Cc1ccn(C)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000092253581 360159262 /nfs/dbraw/zinc/15/92/62/360159262.db2.gz OYCRWAFDYDHCKA-ZDUSSCGKSA-N 2 0 235.375 1.799 20 0 BDADRP C[NH+](C)CCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000093451083 360244900 /nfs/dbraw/zinc/24/49/00/360244900.db2.gz YOGFCDWFMPLNAP-MJBXVCDLSA-N 2 0 239.407 1.448 20 0 BDADRP CC(C)OCC[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094072971 360295293 /nfs/dbraw/zinc/29/52/93/360295293.db2.gz PMJBKGONYPYXQG-UHFFFAOYSA-N 2 0 244.379 1.241 20 0 BDADRP CC[NH+](CC)C[C@@H]1CCN(Cc2c[nH]cn2)C1 ZINC000093693245 360272511 /nfs/dbraw/zinc/27/25/11/360272511.db2.gz CXYGJXHMPMEPQF-LBPRGKRZSA-N 2 0 236.363 1.573 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](CC2=CCCOC2)C1 ZINC000093770602 360274409 /nfs/dbraw/zinc/27/44/09/360274409.db2.gz HTVXYTHSXVPXMV-CYBMUJFWSA-N 2 0 238.375 1.607 20 0 BDADRP Cc1cccc(C)c1C[NH2+]CC1([NH3+])CCOCC1 ZINC000629389119 361035490 /nfs/dbraw/zinc/03/54/90/361035490.db2.gz YBEOTJLTAUXPHU-UHFFFAOYSA-N 2 0 248.370 1.901 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000629390162 361037523 /nfs/dbraw/zinc/03/75/23/361037523.db2.gz LNTVBCYRECXNPB-XJFOESAGSA-N 2 0 240.391 1.920 20 0 BDADRP Cc1ccc(C[NH2+]CCOCCC[NH3+])c(C)c1 ZINC000629398197 361048686 /nfs/dbraw/zinc/04/86/86/361048686.db2.gz OOPKWJRUVGOPBP-UHFFFAOYSA-N 2 0 236.359 1.758 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H](C)CC1CC1 ZINC000629404415 361049822 /nfs/dbraw/zinc/04/98/22/361049822.db2.gz MCIPRQFNHRYSBR-SNVBAGLBSA-N 2 0 200.326 1.001 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H](C)CCC(F)(F)F ZINC000629404065 361049913 /nfs/dbraw/zinc/04/99/13/361049913.db2.gz IKPGMFPPVDNILZ-VIFPVBQESA-N 2 0 242.285 1.543 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CCOCCC[NH3+])[C@@H](C)C1 ZINC000629399575 361050859 /nfs/dbraw/zinc/05/08/59/361050859.db2.gz VDQBOFCLLMRNAX-FRRDWIJNSA-N 2 0 228.380 1.766 20 0 BDADRP CC1(C)CC[C@H]([NH2+]CCOCCC[NH3+])C1 ZINC000629399977 361051101 /nfs/dbraw/zinc/05/11/01/361051101.db2.gz NRQNSSGGPNAROH-NSHDSACASA-N 2 0 214.353 1.520 20 0 BDADRP [NH3+]CCCOCC[NH2+]CC1CCCCCC1 ZINC000629399670 361051142 /nfs/dbraw/zinc/05/11/42/361051142.db2.gz JXVRXQYQSZRQBY-UHFFFAOYSA-N 2 0 228.380 1.912 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629410580 361060809 /nfs/dbraw/zinc/06/08/09/361060809.db2.gz HBWHGHPAIILXEY-NMKXLXIOSA-N 2 0 237.391 1.199 20 0 BDADRP Oc1cccc2c1CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC000629500697 361101075 /nfs/dbraw/zinc/10/10/75/361101075.db2.gz FXXLHRVZMOLQTH-UHFFFAOYSA-N 2 0 246.354 1.750 20 0 BDADRP CCO[C@H](C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1)C1CC1 ZINC000629509366 361103720 /nfs/dbraw/zinc/10/37/20/361103720.db2.gz DKVMSEQDUOPGRR-CYZMBNFOSA-N 2 0 226.364 1.471 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC[C@@H]1CCCOC1 ZINC000629510948 361109996 /nfs/dbraw/zinc/10/99/96/361109996.db2.gz YNMDZZZTYLGKDK-SRVKXCTJSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)C1C[NH2+]C1 ZINC000629515091 361112430 /nfs/dbraw/zinc/11/24/30/361112430.db2.gz XKTJVWVUOJRDBV-ABAIWWIYSA-N 2 0 246.354 1.325 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000629515152 361112829 /nfs/dbraw/zinc/11/28/29/361112829.db2.gz ZFLWECABEGSULO-HUBLWGQQSA-N 2 0 248.370 1.843 20 0 BDADRP C[C@@H](Cc1ccoc1)[NH2+]CC1([NH3+])CCOCC1 ZINC000629520937 361116292 /nfs/dbraw/zinc/11/62/92/361116292.db2.gz NDMJIHOYISMGRZ-NSHDSACASA-N 2 0 238.331 1.308 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCOC[C@H]1C ZINC000629527033 361132297 /nfs/dbraw/zinc/13/22/97/361132297.db2.gz IGKBNWVCIHCBAX-WRWGMCAJSA-N 2 0 212.337 1.142 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H](C)C1CCCC1 ZINC000629528538 361136867 /nfs/dbraw/zinc/13/68/67/361136867.db2.gz BLLPONOXUUVNAK-LLVKDONJSA-N 2 0 214.353 1.391 20 0 BDADRP CC[C@H]([NH2+]CCOCC[NH2+]C)C1CC1 ZINC000629528564 361137278 /nfs/dbraw/zinc/13/72/78/361137278.db2.gz CIHXSUBNYCFAPS-NSHDSACASA-N 2 0 200.326 1.001 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000629528719 361138035 /nfs/dbraw/zinc/13/80/35/361138035.db2.gz HRGOWARQWOFZMV-DOMZBBRYSA-N 2 0 248.370 1.746 20 0 BDADRP C[NH2+]CCOCC[NH2+]C(C1CC1)C1CC1 ZINC000629529014 361138826 /nfs/dbraw/zinc/13/88/26/361138826.db2.gz PFZOSYDVNZRFPC-UHFFFAOYSA-N 2 0 212.337 1.001 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(CO)CC2)[C@@H](C)C1 ZINC000224420163 491154759 /nfs/dbraw/zinc/15/47/59/491154759.db2.gz LYZUVCCXMGRCLI-NWDGAFQWSA-N 2 0 226.364 1.079 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1cccc(O)c1 ZINC000629530196 361143469 /nfs/dbraw/zinc/14/34/69/361143469.db2.gz YTPYHLDLBCHURI-NSHDSACASA-N 2 0 238.331 1.279 20 0 BDADRP CCC[C@@H]([NH2+]CCOCC[NH2+]C)C1CCC1 ZINC000629530351 361144521 /nfs/dbraw/zinc/14/45/21/361144521.db2.gz DIFRWICQAMYOQX-CYBMUJFWSA-N 2 0 228.380 1.781 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C ZINC000629530504 361144787 /nfs/dbraw/zinc/14/47/87/361144787.db2.gz IJIMMHGCSXWKRH-YNEHKIRRSA-N 2 0 228.380 1.637 20 0 BDADRP Cc1ncccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000629532093 361152122 /nfs/dbraw/zinc/15/21/22/361152122.db2.gz LLJABDTUAKWRPJ-RRFJBIMHSA-N 2 0 245.370 1.868 20 0 BDADRP CCO[C@@H](C[N@H+](C)C1CC([NH3+])C1)C1CC1 ZINC000629532532 361152768 /nfs/dbraw/zinc/15/27/68/361152768.db2.gz GBBDRQKZBNXYMQ-MCIGGMRASA-N 2 0 212.337 1.223 20 0 BDADRP Cc1ccc(C(C)(C)C[NH2+][C@@H](C)C2C[NH2+]C2)nc1 ZINC000629523307 361124345 /nfs/dbraw/zinc/12/43/45/361124345.db2.gz LEQMIVDTEVBEJR-LBPRGKRZSA-N 2 0 247.386 1.865 20 0 BDADRP CC(C)CC[C@H](CO)[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000629524555 361124453 /nfs/dbraw/zinc/12/44/53/361124453.db2.gz SBRALMUVAWLBBX-QJPTWQEYSA-N 2 0 216.369 1.499 20 0 BDADRP CC(C)CC[C@H](CO)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000629525161 361126113 /nfs/dbraw/zinc/12/61/13/361126113.db2.gz WKSRKAGPPFIVIZ-FRRDWIJNSA-N 2 0 228.380 1.643 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000629526037 361126902 /nfs/dbraw/zinc/12/69/02/361126902.db2.gz JHVGZAISZYSROL-WISYIIOYSA-N 2 0 212.337 1.142 20 0 BDADRP C[C@@H]1[C@H](C)SCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000158590084 361205118 /nfs/dbraw/zinc/20/51/18/361205118.db2.gz SXSJKYREIGUMPP-GRYCIOLGSA-N 2 0 228.405 1.812 20 0 BDADRP COCCCC[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000158708476 361210241 /nfs/dbraw/zinc/21/02/41/361210241.db2.gz YMLZEYJKBHTYDD-QWRGUYRKSA-N 2 0 200.326 1.082 20 0 BDADRP FC1(F)C[C@H]1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000622043524 370673934 /nfs/dbraw/zinc/67/39/34/370673934.db2.gz CSUOFRQMWCUFPK-NFLHVTIKSA-N 2 0 230.302 1.904 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CC[C@H]1CC1(F)F ZINC000622043478 370674314 /nfs/dbraw/zinc/67/43/14/370674314.db2.gz BQDKRTNDURQSKB-VHSXEESVSA-N 2 0 236.306 1.375 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CC1(F)F ZINC000622044242 370675704 /nfs/dbraw/zinc/67/57/04/370675704.db2.gz ZSZNCRIUGXLPEY-DJLDLDEBSA-N 2 0 204.264 1.501 20 0 BDADRP CC(C)[C@@H]1C[C@@H]([NH2+]CC[C@H](C)[NH3+])CCO1 ZINC000622045147 370678588 /nfs/dbraw/zinc/67/85/88/370678588.db2.gz DCGZYSXKMWIVIO-SRVKXCTJSA-N 2 0 214.353 1.517 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCCC(C)(C)CO)CC[N@@H+]1C ZINC000163170077 361388758 /nfs/dbraw/zinc/38/87/58/361388758.db2.gz GKKKQOSVWMMGMN-OLZOCXBDSA-N 2 0 242.407 1.857 20 0 BDADRP CC[C@H]([NH2+]CCOCCC[NH3+])C1CCCC1 ZINC000629536047 361398473 /nfs/dbraw/zinc/39/84/73/361398473.db2.gz DWLAOASJRRWIPF-ZDUSSCGKSA-N 2 0 228.380 1.910 20 0 BDADRP CCC(C)(C)[C@@H](C)[NH2+]CCOCCC[NH3+] ZINC000629537011 361399842 /nfs/dbraw/zinc/39/98/42/361399842.db2.gz IAULDOPWGQKBEX-LLVKDONJSA-N 2 0 216.369 1.766 20 0 BDADRP CC[C@H]1CCC[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629535887 361411093 /nfs/dbraw/zinc/41/10/93/361411093.db2.gz FLFPKRHPBCRUSN-RYUDHWBXSA-N 2 0 214.353 1.520 20 0 BDADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1cncc(F)c1 ZINC000629534802 361408851 /nfs/dbraw/zinc/40/88/51/361408851.db2.gz BMYIFDDYJCQZQJ-SNVBAGLBSA-N 2 0 241.310 1.237 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000629545164 361425693 /nfs/dbraw/zinc/42/56/93/361425693.db2.gz CIFVHOQQARBKSH-USZNOCQGSA-N 2 0 210.321 1.023 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C1CC1)C1CCC1 ZINC000629546407 361427207 /nfs/dbraw/zinc/42/72/07/361427207.db2.gz PKQGSYNZHZWANQ-ZWKOPEQDSA-N 2 0 208.349 1.905 20 0 BDADRP CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)[C@H]1CCOC1 ZINC000629548517 361434672 /nfs/dbraw/zinc/43/46/72/361434672.db2.gz POCYDBMFNYFOOQ-NNYUYHANSA-N 2 0 212.337 1.142 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCCC12CC2 ZINC000629553566 361438730 /nfs/dbraw/zinc/43/87/30/361438730.db2.gz ADQRSDAYZKJAOO-OLZOCXBDSA-N 2 0 240.391 1.910 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000629554238 361439833 /nfs/dbraw/zinc/43/98/33/361439833.db2.gz GFTYIFYIAVYXDS-WISYIIOYSA-N 2 0 212.337 1.142 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000629554240 361440032 /nfs/dbraw/zinc/44/00/32/361440032.db2.gz GFTYIFYIAVYXDS-YFKTTZPYSA-N 2 0 212.337 1.142 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000629554347 361441370 /nfs/dbraw/zinc/44/13/70/361441370.db2.gz HVPVZQYEZCNOAX-WUHRBBMRSA-N 2 0 226.364 1.389 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000629554311 361441452 /nfs/dbraw/zinc/44/14/52/361441452.db2.gz HPQQLFVLCBYWTC-QNWHQSFQSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccccn1 ZINC000629542315 361419011 /nfs/dbraw/zinc/41/90/11/361419011.db2.gz YEZYBDJQHGCGFJ-LLVKDONJSA-N 2 0 223.320 1.098 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](CCN(C)c2ccccc2)C1 ZINC000430946578 201158549 /nfs/dbraw/zinc/15/85/49/201158549.db2.gz BABPRXMFTPSPAA-AWEZNQCLSA-N 2 0 247.386 1.664 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)CCC(C)(C)C1CC1 ZINC000629572576 361463844 /nfs/dbraw/zinc/46/38/44/361463844.db2.gz XNEWYLCRCUKPTC-UHFFFAOYSA-N 2 0 242.407 1.981 20 0 BDADRP CC1(C)CC(C[NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000629576603 361465415 /nfs/dbraw/zinc/46/54/15/361465415.db2.gz NPSXKURIVLWTEN-ZDUSSCGKSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@@H](c1cccc(F)c1)[N@H+](C)CCOCC[NH3+] ZINC000629578108 361468377 /nfs/dbraw/zinc/46/83/77/361468377.db2.gz GPOUSPWPOFJYJK-NSHDSACASA-N 2 0 240.322 1.794 20 0 BDADRP C[C@@H]([NH2+]CC[C@H](C)O)C1CC[NH+](C)CC1 ZINC000082993001 491158240 /nfs/dbraw/zinc/15/82/40/491158240.db2.gz CNWPGQWOMQWXEA-WDEREUQCSA-N 2 0 214.353 1.077 20 0 BDADRP COc1cccc2c1CN(C[C@@H]1CC[NH2+]C1)C2 ZINC000629580569 361469711 /nfs/dbraw/zinc/46/97/11/361469711.db2.gz UYBZECAQSVMHNS-LLVKDONJSA-N 2 0 232.327 1.620 20 0 BDADRP C[N@H+](CCOCC[NH3+])CC1CC(C)(C)C1 ZINC000629581338 361470954 /nfs/dbraw/zinc/47/09/54/361470954.db2.gz WRYVFYOTBZOLLD-UHFFFAOYSA-N 2 0 214.353 1.330 20 0 BDADRP Cc1cc(CN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)on1 ZINC000629595804 361482442 /nfs/dbraw/zinc/48/24/42/361482442.db2.gz QOUGYQZNQYKIFX-BETUJISGSA-N 2 0 235.331 1.414 20 0 BDADRP CCCCOCCN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629598047 361488306 /nfs/dbraw/zinc/48/83/06/361488306.db2.gz VRXVLTWRBHDDSE-OKILXGFUSA-N 2 0 240.391 1.735 20 0 BDADRP CCN(CC[NH3+])Cc1cccc2c1CC[NH2+]C2 ZINC000629559449 361454647 /nfs/dbraw/zinc/45/46/47/361454647.db2.gz RKABJMMDCADDPY-UHFFFAOYSA-N 2 0 233.359 1.113 20 0 BDADRP CC[C@H](C(=O)Nc1ccc(C[NH3+])cc1)[NH+](C)C ZINC000629611917 361502843 /nfs/dbraw/zinc/50/28/43/361502843.db2.gz KANLFEPIHRKYBD-GFCCVEGCSA-N 2 0 235.331 1.424 20 0 BDADRP C[C@H]([NH2+]CC1([NH3+])CCOCC1)C1CCC1 ZINC000629654668 361558578 /nfs/dbraw/zinc/55/85/78/361558578.db2.gz PDVOCCAVZNLLMK-JTQLQIEISA-N 2 0 212.337 1.273 20 0 BDADRP CS[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000448545869 201198462 /nfs/dbraw/zinc/19/84/62/201198462.db2.gz NWQWRBHOJPNUGX-NWDGAFQWSA-N 2 0 228.405 1.908 20 0 BDADRP Cn1ccc(CN[C@H](C[NH3+])C(C)(C)C)c1 ZINC000629647849 361538891 /nfs/dbraw/zinc/53/88/91/361538891.db2.gz BXIIENBAWZCHBX-LLVKDONJSA-N 2 0 209.337 1.488 20 0 BDADRP Cn1ccc(C[NH2+]CCC[NH2+]C2CC2)c1 ZINC000629648268 361540512 /nfs/dbraw/zinc/54/05/12/361540512.db2.gz KJTDMNYFOIXDHB-UHFFFAOYSA-N 2 0 207.321 1.257 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](CC2=CCCOC2)C[C@@H]1C[NH3+] ZINC000629648514 361541233 /nfs/dbraw/zinc/54/12/33/361541233.db2.gz QAGRBFPZLNJKRV-DYEKYZERSA-N 2 0 238.375 1.638 20 0 BDADRP Cn1ccc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000629649163 361543019 /nfs/dbraw/zinc/54/30/19/361543019.db2.gz KBJKFMWLYJVINZ-JOCQHMNTSA-N 2 0 235.375 1.880 20 0 BDADRP Cn1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)c1 ZINC000629648927 361543509 /nfs/dbraw/zinc/54/35/09/361543509.db2.gz CWDPILAWRDYIOI-LBPRGKRZSA-N 2 0 219.332 1.257 20 0 BDADRP Cn1ccc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000629649330 361544646 /nfs/dbraw/zinc/54/46/46/361544646.db2.gz PSMCCTCNMZXCEX-ZYHUDNBSSA-N 2 0 207.321 1.242 20 0 BDADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CC1=CCCOC1 ZINC000629652940 361551218 /nfs/dbraw/zinc/55/12/18/361551218.db2.gz FSTUPUMFNQBORP-CYBMUJFWSA-N 2 0 224.348 1.536 20 0 BDADRP COC1(C[NH2+]C[C@H]([NH3+])C(C)C)CCCC1 ZINC000629653898 361554387 /nfs/dbraw/zinc/55/43/87/361554387.db2.gz MFGJXIRDSMYHGK-NSHDSACASA-N 2 0 214.353 1.519 20 0 BDADRP C1=C(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)COCC1 ZINC000629653860 361554929 /nfs/dbraw/zinc/55/49/29/361554929.db2.gz LFLRWUVDLVMPHS-ZDUSSCGKSA-N 2 0 222.332 1.019 20 0 BDADRP CC1(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000629665302 361587472 /nfs/dbraw/zinc/58/74/72/361587472.db2.gz KOQCLJZPBUEBHD-BETUJISGSA-N 2 0 208.349 1.718 20 0 BDADRP Cc1ccc(F)c(C[N@H+](C)CCOCC[NH3+])c1 ZINC000629665998 361587770 /nfs/dbraw/zinc/58/77/70/361587770.db2.gz ZRWRVZQAIYDHLV-UHFFFAOYSA-N 2 0 240.322 1.541 20 0 BDADRP CCC(CC)(C[NH3+])C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000434703269 201234712 /nfs/dbraw/zinc/23/47/12/201234712.db2.gz RJRNVILLDGNINW-WDEREUQCSA-N 2 0 241.379 1.008 20 0 BDADRP CC[N@H+](C[C@H]1CCOC1)[C@@H]1CCC[NH2+]CC1 ZINC000435626575 201278673 /nfs/dbraw/zinc/27/86/73/201278673.db2.gz OXKBLVGRDNFVGX-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP CC[N@H+](CCOC(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435623105 201278897 /nfs/dbraw/zinc/27/88/97/201278897.db2.gz BUNRMZFTNRJROX-CYBMUJFWSA-N 2 0 228.380 1.875 20 0 BDADRP CCOCCC[N@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000435630671 201279520 /nfs/dbraw/zinc/27/95/20/201279520.db2.gz YIFFAKYXBAOWIR-ZDUSSCGKSA-N 2 0 228.380 1.877 20 0 BDADRP COCCCCC[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435623423 201280176 /nfs/dbraw/zinc/28/01/76/201280176.db2.gz UZLPRWHFRWUAHO-CYBMUJFWSA-N 2 0 228.380 1.877 20 0 BDADRP C[NH2+]CCC[NH+]1CCC(OCCCOC)CC1 ZINC000435874126 201291946 /nfs/dbraw/zinc/29/19/46/201291946.db2.gz IBCWDQGUARVFIQ-UHFFFAOYSA-N 2 0 244.379 1.113 20 0 BDADRP C[NH2+]CCC[NH2+][C@@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000435873142 201290132 /nfs/dbraw/zinc/29/01/32/201290132.db2.gz TYHNYAPAZZVXPW-OCCSQVGLSA-N 2 0 242.407 1.763 20 0 BDADRP C[NH2+]CCOc1ccc(C2=CC[NH2+]CC2)cc1 ZINC000629722907 361663844 /nfs/dbraw/zinc/66/38/44/361663844.db2.gz HGMPXNWTCILOSA-UHFFFAOYSA-N 2 0 232.327 1.662 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCOCC1)C1CC[NH+](C)CC1 ZINC000310493559 491161728 /nfs/dbraw/zinc/16/17/28/491161728.db2.gz PCZRRGQMMPUGES-GXTWGEPZSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCCOCC1)C1CC[NH+](C)CC1 ZINC000310493561 491161732 /nfs/dbraw/zinc/16/17/32/491161732.db2.gz PCZRRGQMMPUGES-OCCSQVGLSA-N 2 0 240.391 1.875 20 0 BDADRP CCN1C[C@@H](C)[C@H]([NH2+]CC2(N(C)C)CCC2)C1 ZINC000437107526 201343507 /nfs/dbraw/zinc/34/35/07/201343507.db2.gz PPPWGUYDTXOXFT-CHWSQXEVSA-N 2 0 239.407 1.401 20 0 BDADRP CC(C)[N@H+](C)CCN[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000155735742 201349394 /nfs/dbraw/zinc/34/93/94/201349394.db2.gz KHIMKAGBPJIWIM-CHWSQXEVSA-N 2 0 227.396 1.399 20 0 BDADRP CC[N@H+](CCN[C@@H]1CC[NH+](C)[C@H](C)C1)C1CC1 ZINC000155820330 201353222 /nfs/dbraw/zinc/35/32/22/201353222.db2.gz YVOLLRASIUISTF-CHWSQXEVSA-N 2 0 239.407 1.543 20 0 BDADRP C[NH+](C)C[C@H]1CC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000437782779 201373039 /nfs/dbraw/zinc/37/30/39/201373039.db2.gz HCGJOALJKUHSFE-CHWSQXEVSA-N 2 0 226.364 1.297 20 0 BDADRP C[C@H](CC(=O)N1CCCCCC1)[NH2+]CCC[NH3+] ZINC000437782082 201373051 /nfs/dbraw/zinc/37/30/51/201373051.db2.gz XPAWDFDILRGSJV-GFCCVEGCSA-N 2 0 241.379 1.106 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000438179527 201397411 /nfs/dbraw/zinc/39/74/11/201397411.db2.gz OOPHXZQVVJUYHX-BFHYXJOUSA-N 2 0 240.391 1.875 20 0 BDADRP [NH3+]CC1(c2ccccc2F)CC[NH2+]CC1 ZINC000071511189 181362777 /nfs/dbraw/zinc/36/27/77/181362777.db2.gz ASDHXHHYGOBQPI-UHFFFAOYSA-N 2 0 208.280 1.406 20 0 BDADRP [NH3+]CC1CCC([NH2+]C[C@@H](O)C2CCC2)CC1 ZINC000332438771 181363910 /nfs/dbraw/zinc/36/39/10/181363910.db2.gz DGIGKPHOBAMJQQ-KGPNIALWSA-N 2 0 226.364 1.255 20 0 BDADRP Nc1ccc2c(c1)CC[C@@H]2[NH2+]CC1(C[NH3+])CC1 ZINC000573339161 364804445 /nfs/dbraw/zinc/80/44/45/364804445.db2.gz GOYGDKGGAAKCFM-ZDUSSCGKSA-N 2 0 231.343 1.585 20 0 BDADRP CC(C)(C)[NH+]1CCC([NH2+]CCCCO)CC1 ZINC000194211610 219954060 /nfs/dbraw/zinc/95/40/60/219954060.db2.gz OVWMZYRPMVTYGR-UHFFFAOYSA-N 2 0 228.380 1.611 20 0 BDADRP CCc1nc(C[NH2+][C@H](C)CCC[NH3+])cs1 ZINC000336887218 364788489 /nfs/dbraw/zinc/78/84/89/364788489.db2.gz IBHABEWGOQHTBS-SECBINFHSA-N 2 0 227.377 1.923 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(C(N)=O)c1 ZINC000573445794 364835418 /nfs/dbraw/zinc/83/54/18/364835418.db2.gz VLXQWFWGTMIQDB-UWVGGRQHSA-N 2 0 235.331 1.001 20 0 BDADRP O[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000328376899 364841707 /nfs/dbraw/zinc/84/17/07/364841707.db2.gz UFSYIUORQXFZLU-YIYPIFLZSA-N 2 0 238.375 1.221 20 0 BDADRP C[NH2+]Cc1ccccc1NC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000573723930 364902302 /nfs/dbraw/zinc/90/23/02/364902302.db2.gz HGZOSLYYLOVMKU-PWSUYJOCSA-N 2 0 247.342 1.343 20 0 BDADRP [NH3+]CCCC[NH2+]Cc1ccc(F)c(F)c1 ZINC000037714651 181377929 /nfs/dbraw/zinc/37/79/29/181377929.db2.gz DDGIPLPFAZJVDL-UHFFFAOYSA-N 2 0 214.259 1.793 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C[C@H](C)O1 ZINC000574010074 364964863 /nfs/dbraw/zinc/96/48/63/364964863.db2.gz JBNHFINFLAHDBS-RQJABVFESA-N 2 0 240.391 1.874 20 0 BDADRP COC[C@@H](C)C[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000574021356 364968366 /nfs/dbraw/zinc/96/83/66/364968366.db2.gz GPHJDHVDYPILDO-QJPTWQEYSA-N 2 0 214.353 1.186 20 0 BDADRP C[C@H]1CC[NH2+]C[C@H]1NCc1ccc(C[NH3+])cc1 ZINC000574040575 364974217 /nfs/dbraw/zinc/97/42/17/364974217.db2.gz OORIXURZDLHDKY-SMDDNHRTSA-N 2 0 233.359 1.233 20 0 BDADRP CC[NH2+]CCCN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000574069898 364981445 /nfs/dbraw/zinc/98/14/45/364981445.db2.gz AZGBVNOVXQKRQN-UONOGXRCSA-N 2 0 241.423 1.886 20 0 BDADRP [NH3+]CCCOC1CC[NH+](CCCCCF)CC1 ZINC000310215602 181383261 /nfs/dbraw/zinc/38/32/61/181383261.db2.gz FSDWAOMXMWUGFE-UHFFFAOYSA-N 2 0 246.370 1.956 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)[C@@H](C[NH3+])C(C)C)c1 ZINC000433164891 192987404 /nfs/dbraw/zinc/98/74/04/192987404.db2.gz SQPGIRDPDMBUIX-ZDUSSCGKSA-N 2 0 249.358 1.575 20 0 BDADRP CC[C@H]([NH3+])C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000575121934 365210754 /nfs/dbraw/zinc/21/07/54/365210754.db2.gz QXULFWZDEVLAAP-SKDRFNHKSA-N 2 0 235.331 1.060 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)c1ccc2c[nH+]cn2c1 ZINC000575182658 365231364 /nfs/dbraw/zinc/23/13/64/365231364.db2.gz GYPMSBSSPJOIDA-VHSXEESVSA-N 2 0 246.314 1.190 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC000575182656 365231687 /nfs/dbraw/zinc/23/16/87/365231687.db2.gz GYPMSBSSPJOIDA-NXEZZACHSA-N 2 0 246.314 1.190 20 0 BDADRP FCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000379810899 365277979 /nfs/dbraw/zinc/27/79/79/365277979.db2.gz AEXNQBKGJOZKJT-UTUOFQBUSA-N 2 0 214.328 1.856 20 0 BDADRP CC(C)([NH3+])CNCc1cccc(-n2cccn2)c1 ZINC000575349655 365298683 /nfs/dbraw/zinc/29/86/83/365298683.db2.gz IJQOHMGZBYKDGY-UHFFFAOYSA-N 2 0 244.342 1.699 20 0 BDADRP COc1ccc(C[NH2+]C[C@H](C)C[NH3+])c(F)c1 ZINC000575409961 365312703 /nfs/dbraw/zinc/31/27/03/365312703.db2.gz BUMOMWCTMXRMOA-SECBINFHSA-N 2 0 226.295 1.519 20 0 BDADRP CCn1cccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1=O ZINC000575761967 365357910 /nfs/dbraw/zinc/35/79/10/365357910.db2.gz IMHOWEKQNXVIEU-CHWSQXEVSA-N 2 0 249.358 1.228 20 0 BDADRP CC[C@@H](O)CC[NH2+][C@@H](C)CCCC[NH3+] ZINC000336695554 365359844 /nfs/dbraw/zinc/35/98/44/365359844.db2.gz SQKDRCTXASOICP-WDEREUQCSA-N 2 0 202.342 1.255 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCOCC2CCC2)CC[N@@H+]1C ZINC000576203768 365520761 /nfs/dbraw/zinc/52/07/61/365520761.db2.gz QKTZEQDOXVQSFT-TZMCWYRMSA-N 2 0 240.391 1.875 20 0 BDADRP CCO[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000576122154 365494315 /nfs/dbraw/zinc/49/43/15/365494315.db2.gz XUHSMHVJIJABDE-YVECIDJPSA-N 2 0 226.364 1.804 20 0 BDADRP Cc1cnc(C)nc1NCC[N@H+]1CCC[C@@H](C)C1 ZINC000579770321 367002925 /nfs/dbraw/zinc/00/29/25/367002925.db2.gz UWSFHSZMLCIYFL-LLVKDONJSA-N 2 0 248.374 1.659 20 0 BDADRP Cc1nccn1CCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000580963633 367220977 /nfs/dbraw/zinc/22/09/77/367220977.db2.gz VDDQLHKLHWDXDE-OLZOCXBDSA-N 2 0 236.363 1.441 20 0 BDADRP C[C@H]1CCN(Cc2nc(C(C)(C)[NH3+])no2)[C@H]1C ZINC000380662475 367269748 /nfs/dbraw/zinc/26/97/48/367269748.db2.gz AYEBBCHGTBDBJV-IUCAKERBSA-N 2 0 238.335 1.494 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@H](C)[C@H]2C)CC[NH2+]1 ZINC000380565346 367244732 /nfs/dbraw/zinc/24/47/32/367244732.db2.gz OJDMCLRZBCSMGE-FDYHWXHSSA-N 2 0 226.364 1.484 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1C ZINC000381053197 367344130 /nfs/dbraw/zinc/34/41/30/367344130.db2.gz IMBHQSGNHAZSJF-JHJVBQTASA-N 2 0 228.380 1.467 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000581185260 367286394 /nfs/dbraw/zinc/28/63/94/367286394.db2.gz NMOUJQFOKYAYEP-KBPBESRZSA-N 3 0 237.391 1.546 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000581194254 367290379 /nfs/dbraw/zinc/29/03/79/367290379.db2.gz YFRLCPWIBWRMFN-WHOHXGKFSA-N 2 0 241.379 1.101 20 0 BDADRP CC(C)OCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000381402123 367395357 /nfs/dbraw/zinc/39/53/57/367395357.db2.gz APOKFIMRMJFODA-BETUJISGSA-N 2 0 226.364 1.343 20 0 BDADRP COCCN1CCC([NH2+]CC2(F)CC2)CC1 ZINC000381613266 367437917 /nfs/dbraw/zinc/43/79/17/367437917.db2.gz TXIMAYKVKHEPTG-UHFFFAOYSA-N 2 0 230.327 1.189 20 0 BDADRP C[C@@H](Cn1cccn1)[NH2+]CCC[NH2+]C1CC1 ZINC000382577883 367544014 /nfs/dbraw/zinc/54/40/14/367544014.db2.gz HZWLZMUOVJPAIU-NSHDSACASA-N 2 0 222.336 1.003 20 0 BDADRP [NH3+][C@H]1CCC[C@@H](NCC2([NH3+])CCCCCC2)C1 ZINC000581559254 367590055 /nfs/dbraw/zinc/59/00/55/367590055.db2.gz RTORIDBBTUPHMC-QWHCGFSZSA-N 2 0 239.407 1.898 20 0 BDADRP COC1CCC([NH2+]CCC[NH2+]C(C)C)CC1 ZINC000581601918 367625565 /nfs/dbraw/zinc/62/55/65/367625565.db2.gz YVPGIDOIQYBRMU-UHFFFAOYSA-N 2 0 228.380 1.922 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)CN(C)C(C)C ZINC000383271764 367610754 /nfs/dbraw/zinc/61/07/54/367610754.db2.gz JQRFRSZRTODEKA-STQMWFEESA-N 2 0 245.411 1.059 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)[C@@H](C)O1 ZINC000384561656 367700891 /nfs/dbraw/zinc/70/08/91/367700891.db2.gz HVPSZACPIQWXFY-WZRBSPASSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCCC2)[C@H](C)O1 ZINC000384571683 367702287 /nfs/dbraw/zinc/70/22/87/367702287.db2.gz JGQSUQBRFCIFGU-AGIUHOORSA-N 2 0 226.364 1.628 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CCCSC1 ZINC000384112824 367672355 /nfs/dbraw/zinc/67/23/55/367672355.db2.gz HUGZLWFXDNIPHO-QWRGUYRKSA-N 2 0 216.394 1.847 20 0 BDADRP C[C@@H](CC(C)(C)C)[NH2+]CCOCC[NH+](C)C ZINC000384519298 367696392 /nfs/dbraw/zinc/69/63/92/367696392.db2.gz ATDMEBYMJRXYQK-LBPRGKRZSA-N 2 0 230.396 1.979 20 0 BDADRP C[NH+](C)Cc1cccc(NC(=O)[C@H]2CC[NH2+]2)c1 ZINC000384816866 367736837 /nfs/dbraw/zinc/73/68/37/367736837.db2.gz MAVXHFRRBZOYGB-GFCCVEGCSA-N 2 0 233.315 1.049 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCC2CC[NH+](C)CC2)[C@@H](C)O1 ZINC000384869098 367748032 /nfs/dbraw/zinc/74/80/32/367748032.db2.gz IEPZPCCVWRPZOR-YRGRVCCFSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)[C@H](C)O1 ZINC000384685368 367716865 /nfs/dbraw/zinc/71/68/65/367716865.db2.gz BKEDZRHQPWZDSW-FRRDWIJNSA-N 2 0 240.391 1.874 20 0 BDADRP Cc1cnccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000385027911 367774193 /nfs/dbraw/zinc/77/41/93/367774193.db2.gz JSUVIYMKACWBCN-RRFJBIMHSA-N 2 0 245.370 1.949 20 0 BDADRP CC(C)(CO)CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000385881920 367874330 /nfs/dbraw/zinc/87/43/30/367874330.db2.gz LIBFHZMJZWYCPI-QWRGUYRKSA-N 2 0 214.353 1.255 20 0 BDADRP CC[NH+]1CCC(N[C@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000386067851 367908593 /nfs/dbraw/zinc/90/85/93/367908593.db2.gz YXSJAKQLQLLDLB-OCCSQVGLSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H]([NH2+]CC1(CCO)CC1)[C@H]1CCCC[NH2+]1 ZINC000385974072 367891010 /nfs/dbraw/zinc/89/10/10/367891010.db2.gz BUYWCTFLQQYIDD-VXGBXAGGSA-N 2 0 226.364 1.269 20 0 BDADRP COCC1(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000566219093 326016352 /nfs/dbraw/zinc/01/63/52/326016352.db2.gz ALNNJYIWEUISRO-CHWSQXEVSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(F)cn1 ZINC000581937744 367964644 /nfs/dbraw/zinc/96/46/44/367964644.db2.gz KSLWQDRMISCDEZ-JTQLQIEISA-N 2 0 237.322 1.871 20 0 BDADRP C[C@H](NC[C@H]1CCC[N@@H+]1C)[C@H]1CCCC[NH2+]1 ZINC000386430094 367969465 /nfs/dbraw/zinc/96/94/65/367969465.db2.gz LFZCXGQSDWFIDM-YNEHKIRRSA-N 2 0 225.380 1.201 20 0 BDADRP CCC(CC)(CO)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386452896 367976116 /nfs/dbraw/zinc/97/61/16/367976116.db2.gz OEQAFBOGGIXYPJ-OLZOCXBDSA-N 2 0 242.407 1.905 20 0 BDADRP C[C@@H]([NH2+]CC(C)(C)CCCO)[C@H]1CCCC[NH2+]1 ZINC000386518707 367984391 /nfs/dbraw/zinc/98/43/91/367984391.db2.gz YJKHEHMIZJQKHD-CHWSQXEVSA-N 2 0 242.407 1.905 20 0 BDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H](C)[NH+](C)C ZINC000387403180 368169110 /nfs/dbraw/zinc/16/91/10/368169110.db2.gz BAUBJLIVLGEUMV-GHMZBOCLSA-N 2 0 243.395 1.077 20 0 BDADRP CC[C@H](N[C@H]1CO[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000566738680 326078494 /nfs/dbraw/zinc/07/84/94/326078494.db2.gz GZHQZYLKHGYFCZ-WYUUTHIRSA-N 2 0 212.337 1.284 20 0 BDADRP C[NH+]1CCC(O)(C[NH2+]CC2CCCCC2)CC1 ZINC000059161714 368529546 /nfs/dbraw/zinc/52/95/46/368529546.db2.gz IJOJSGHWKZBADV-UHFFFAOYSA-N 2 0 240.391 1.613 20 0 BDADRP CC[NH+](CC)CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000086401883 368880155 /nfs/dbraw/zinc/88/01/55/368880155.db2.gz FHFMPTRGGSRJMV-RYUDHWBXSA-N 2 0 213.369 1.188 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCOCC(F)(F)F)C1 ZINC000086404278 368881440 /nfs/dbraw/zinc/88/14/40/368881440.db2.gz FPUISHNPRBJANS-BDAKNGLRSA-N 2 0 240.269 1.425 20 0 BDADRP COC[C@H]([NH2+]CC1CC[NH2+]CC1)C(C)C ZINC000086701403 368883537 /nfs/dbraw/zinc/88/35/37/368883537.db2.gz GKIAOUIDOXVMKB-LBPRGKRZSA-N 2 0 214.353 1.247 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089150429 368937119 /nfs/dbraw/zinc/93/71/19/368937119.db2.gz XVXLBZXTWOOEHD-UONOGXRCSA-N 3 0 239.407 1.435 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623657183 368997090 /nfs/dbraw/zinc/99/70/90/368997090.db2.gz KYKMQIYUBKZVCE-XQQFMLRXSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)CO1 ZINC000623657683 368999603 /nfs/dbraw/zinc/99/96/03/368999603.db2.gz WNNUXEHPIZMDFU-FRRDWIJNSA-N 2 0 226.364 1.485 20 0 BDADRP C(C1CC1)[NH+]1CCC(N[C@H]2CCC[NH2+]C2)CC1 ZINC000521580170 259536584 /nfs/dbraw/zinc/53/65/84/259536584.db2.gz LZKDWBXLWVENCT-AWEZNQCLSA-N 2 0 237.391 1.202 20 0 BDADRP Cc1cccc(OCC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000107572809 369354073 /nfs/dbraw/zinc/35/40/73/369354073.db2.gz IHKDXQISHCYOOC-ZIAGYGMSSA-N 2 0 246.354 1.525 20 0 BDADRP C[C@H]1C[C@@H]([NH3+])CN1CCCC1CC[NH2+]CC1 ZINC000631861733 369469629 /nfs/dbraw/zinc/46/96/29/369469629.db2.gz HZGRMGKPHJJMHK-WCQYABFASA-N 2 0 225.380 1.188 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCSC2)C1 ZINC000459722416 203342572 /nfs/dbraw/zinc/34/25/72/203342572.db2.gz BHQAUPXNXXKSQU-NEPJUHHUSA-N 2 0 228.405 1.813 20 0 BDADRP COC[C@H](C)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459783432 203344746 /nfs/dbraw/zinc/34/47/46/203344746.db2.gz NDWKDOYFNMFGDC-RYUDHWBXSA-N 2 0 214.353 1.343 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cc[nH]n2)C1 ZINC000459737684 203347132 /nfs/dbraw/zinc/34/71/32/203347132.db2.gz RPXUJXWJTVWPDY-LLVKDONJSA-N 2 0 222.336 1.231 20 0 BDADRP C[C@H]1C[C@@H]([NH3+])CN1Cc1cccc2c1CC[NH2+]C2 ZINC000631863035 369595546 /nfs/dbraw/zinc/59/55/46/369595546.db2.gz WVEOGRSLAXCEAD-SMDDNHRTSA-N 2 0 245.370 1.254 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]21 ZINC000252863542 370136536 /nfs/dbraw/zinc/13/65/36/370136536.db2.gz OSOIDHQLOYPUCS-FDYHWXHSSA-N 2 0 224.348 1.082 20 0 BDADRP CCSCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252865005 370137282 /nfs/dbraw/zinc/13/72/82/370137282.db2.gz POBWIWIYIVEXOM-SDDRHHMPSA-N 2 0 228.405 1.799 20 0 BDADRP C1=CCC(C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)C1 ZINC000631867232 370211904 /nfs/dbraw/zinc/21/19/04/370211904.db2.gz NCSNVSBWPBPNNZ-OLZOCXBDSA-N 2 0 206.333 1.684 20 0 BDADRP C(C[C@H]1CCCCO1)[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631867729 370342970 /nfs/dbraw/zinc/34/29/70/370342970.db2.gz ZVLHHDFMNGZXIP-MCIONIFRSA-N 2 0 238.375 1.677 20 0 BDADRP CCN(C)C[C@H](O)C[N@H+](C)[C@H]1CCCC[C@@H]1C ZINC000310489657 370347785 /nfs/dbraw/zinc/34/77/85/370347785.db2.gz FQMGMIOEBRCIJB-IHRRRGAJSA-N 2 0 242.407 1.810 20 0 BDADRP Cc1cc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)ccn1 ZINC000621774522 370520591 /nfs/dbraw/zinc/52/05/91/370520591.db2.gz WFLNJOMUNDWTIV-OCCSQVGLSA-N 2 0 233.359 1.949 20 0 BDADRP CCn1cc(CCN2CCC[C@H]2C[NH2+]C)cn1 ZINC000621773809 370518370 /nfs/dbraw/zinc/51/83/70/370518370.db2.gz CHSIILJIQMDTOH-ZDUSSCGKSA-N 2 0 236.363 1.129 20 0 BDADRP [NH3+][C@]12CCC[C@H]1C[N@H+](CC[C@H]1CCCCO1)C2 ZINC000621784752 370537851 /nfs/dbraw/zinc/53/78/51/370537851.db2.gz ULOIFBVVUPLEFZ-MJBXVCDLSA-N 2 0 238.375 1.759 20 0 BDADRP [NH3+][C@]12CCC[C@@H]1C[N@H+](CC[C@@H]1CCCCO1)C2 ZINC000621784753 370538367 /nfs/dbraw/zinc/53/83/67/370538367.db2.gz ULOIFBVVUPLEFZ-RDBSUJKOSA-N 2 0 238.375 1.759 20 0 BDADRP CC[C@@H]1C[N@H+](Cc2ccnc(C)c2)CC[C@H]1[NH3+] ZINC000621775350 370522646 /nfs/dbraw/zinc/52/26/46/370522646.db2.gz MQCPAHIKBWKTGK-ZIAGYGMSSA-N 2 0 233.359 1.949 20 0 BDADRP Cc1cc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)ccn1 ZINC000621775294 370523194 /nfs/dbraw/zinc/52/31/94/370523194.db2.gz LBEUEAMZUARWOA-ZDUSSCGKSA-N 2 0 233.359 1.951 20 0 BDADRP Cc1ncc(CN2C[C@@H]3CCC[C@]3([NH3+])C2)s1 ZINC000621781365 370530034 /nfs/dbraw/zinc/53/00/34/370530034.db2.gz COJLOMPZTHYSKV-JQWIXIFHSA-N 2 0 237.372 1.765 20 0 BDADRP [NH3+][C@]12CCC[C@H]1CN(Cc1ccccn1)C2 ZINC000621781664 370530525 /nfs/dbraw/zinc/53/05/25/370530525.db2.gz HPBUCGGWOUIDEE-AAEUAGOBSA-N 2 0 217.316 1.395 20 0 BDADRP C[C@H](c1ccccn1)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621781790 370530839 /nfs/dbraw/zinc/53/08/39/370530839.db2.gz IQSOEPAUSDEWDX-MBNYWOFBSA-N 2 0 231.343 1.956 20 0 BDADRP CCOCCC[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621782198 370530902 /nfs/dbraw/zinc/53/09/02/370530902.db2.gz NMMJSDXWUSXPSO-RYUDHWBXSA-N 2 0 212.337 1.226 20 0 BDADRP C[C@H](c1ccccn1)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621781791 370531052 /nfs/dbraw/zinc/53/10/52/370531052.db2.gz IQSOEPAUSDEWDX-YRGRVCCFSA-N 2 0 231.343 1.956 20 0 BDADRP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCCCCF)C2 ZINC000621784037 370535654 /nfs/dbraw/zinc/53/56/54/370535654.db2.gz IQQOOCCWWKJPGW-VXGBXAGGSA-N 2 0 214.328 1.939 20 0 BDADRP CC[C@H](C[NH2+]Cc1ccc(=O)[nH]c1)N1CCCC1 ZINC000631040038 370997586 /nfs/dbraw/zinc/99/75/86/370997586.db2.gz OBFJVEOIUYNIKC-CYBMUJFWSA-N 2 0 249.358 1.751 20 0 BDADRP C[C@@H]1OCC[C@@H]1CN1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631890873 371095896 /nfs/dbraw/zinc/09/58/96/371095896.db2.gz UFEXHDAMKQVRMW-IGQOVBAYSA-N 2 0 238.375 1.485 20 0 BDADRP Cc1cccc(C[NH2+]CCN2CC[C@H](O)C2)c1 ZINC000623836223 371119432 /nfs/dbraw/zinc/11/94/32/371119432.db2.gz PSBCBVCPPSBVNF-AWEZNQCLSA-N 2 0 234.343 1.151 20 0 BDADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@H]1CCCCO1 ZINC000623928209 371159153 /nfs/dbraw/zinc/15/91/53/371159153.db2.gz HYZDGAVUUMICPG-GXTWGEPZSA-N 2 0 238.375 1.796 20 0 BDADRP COCC1CCC([NH2+]C2CC([NH+](C)C)C2)CC1 ZINC000569259021 326398487 /nfs/dbraw/zinc/39/84/87/326398487.db2.gz RGNZGPYISBTXGL-UHFFFAOYSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)[C@@H]1CCCO1 ZINC000624122412 371323565 /nfs/dbraw/zinc/32/35/65/371323565.db2.gz QQXBFASUGHHXRZ-MJBXVCDLSA-N 2 0 240.391 1.875 20 0 BDADRP O[C@@H]1CCN(CC[NH2+][C@H]2CC[C@@H]2C2CCC2)C1 ZINC000624230850 371418220 /nfs/dbraw/zinc/41/82/20/371418220.db2.gz JGEXREUWFVTGER-MCIONIFRSA-N 2 0 238.375 1.221 20 0 BDADRP CO[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000624300602 371468310 /nfs/dbraw/zinc/46/83/10/371468310.db2.gz LZGQFRPPAVMFOM-KSTCHIGDSA-N 2 0 238.375 1.626 20 0 BDADRP COC(=O)c1cccc(C[N@H+](C)CCC[NH3+])c1 ZINC000133799706 372114167 /nfs/dbraw/zinc/11/41/67/372114167.db2.gz MNLJHOQUABGBJX-UHFFFAOYSA-N 2 0 236.315 1.254 20 0 BDADRP O[C@H]1CCC[C@@H]1[NH2+]Cc1cccc2nccn21 ZINC000631251967 372262533 /nfs/dbraw/zinc/26/25/33/372262533.db2.gz LZRWCHCASADHRO-RYUDHWBXSA-N 2 0 231.299 1.337 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](C[C@@H]2CCO[C@@H]2C)CC1 ZINC000631820858 372582711 /nfs/dbraw/zinc/58/27/11/372582711.db2.gz ITAAUDQKLBEFRK-LOWVWBTDSA-N 2 0 226.364 1.471 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[NH+]1CCC(C)([NH3+])CC1 ZINC000631824450 372590317 /nfs/dbraw/zinc/59/03/17/372590317.db2.gz GUCANGHXRSVJOQ-WDEREUQCSA-N 2 0 212.337 1.225 20 0 BDADRP C[NH2+]CC1CC[NH+](C[C@@H]2CCO[C@H]2C)CC1 ZINC000631821658 372597638 /nfs/dbraw/zinc/59/76/38/372597638.db2.gz FOBFOTQRXDSEBR-AAEUAGOBSA-N 2 0 226.364 1.343 20 0 BDADRP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1C[C@H]1CCO[C@H]1C ZINC000631822906 372599977 /nfs/dbraw/zinc/59/99/77/372599977.db2.gz RPWTXTPAHAUKMR-FIQHERPVSA-N 2 0 212.337 1.081 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000631827671 372608023 /nfs/dbraw/zinc/60/80/23/372608023.db2.gz UHOLKMFNFISUIP-IHRRRGAJSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@@H]([NH3+])CN1CCC(C)([NH+]2CCCC2)CC1 ZINC000631836764 372625843 /nfs/dbraw/zinc/62/58/43/372625843.db2.gz GLGHQBJOMLQFIT-GFCCVEGCSA-N 2 0 225.380 1.284 20 0 BDADRP FC(F)[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000631865239 372666627 /nfs/dbraw/zinc/66/66/27/372666627.db2.gz DJRUGGQQJUUDNN-NSHDSACASA-N 2 0 248.317 1.342 20 0 BDADRP FC(F)[C@@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000631866179 372666917 /nfs/dbraw/zinc/66/69/17/372666917.db2.gz UWQPDUWVMNFGTL-MNOVXSKESA-N 2 0 248.317 1.342 20 0 BDADRP CCC1([NH+](C)C)CCN(CCC[NH3+])CC1 ZINC000631866256 372667740 /nfs/dbraw/zinc/66/77/40/372667740.db2.gz VUOXDPOPVDQFPA-UHFFFAOYSA-N 2 0 213.369 1.141 20 0 BDADRP CC(C)[C@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CCN1C ZINC000631880029 372678147 /nfs/dbraw/zinc/67/81/47/372678147.db2.gz LOTPHAWJRQFNAB-ZIAGYGMSSA-N 2 0 239.407 1.258 20 0 BDADRP C(C1CC[NH2+]CC1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631884357 372680367 /nfs/dbraw/zinc/68/03/67/372680367.db2.gz ISLDVCVWIRHDII-UONOGXRCSA-N 2 0 237.391 1.060 20 0 BDADRP C[C@H]1C[N@H+](CC2=CCCOC2)CC[C@@H]1[NH3+] ZINC000379754779 373055997 /nfs/dbraw/zinc/05/59/97/373055997.db2.gz SUXOGWRBNMGPCR-JQWIXIFHSA-N 2 0 210.321 1.002 20 0 BDADRP CC(C)C[C@H]([NH3+])CNC[C@H]1[NH2+]CCCC1(C)C ZINC000414934835 205788740 /nfs/dbraw/zinc/78/87/40/205788740.db2.gz VMQLSOQWUUFGQJ-QWHCGFSZSA-N 2 0 241.423 1.728 20 0 BDADRP C[NH2+]C[C@@H]1CCCN1C[C@H]([NH3+])CC(C)C ZINC000414653622 205767863 /nfs/dbraw/zinc/76/78/63/205767863.db2.gz AYJLCZHYWTUPTH-NEPJUHHUSA-N 2 0 213.369 1.044 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000414774255 205770425 /nfs/dbraw/zinc/77/04/25/205770425.db2.gz BBWMZMUOEGOJKB-KGLIPLIRSA-N 2 0 239.407 1.435 20 0 BDADRP Cc1n[nH]cc1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459735856 206013524 /nfs/dbraw/zinc/01/35/24/206013524.db2.gz PVUZFGKCWNAEMY-LBPRGKRZSA-N 2 0 236.363 1.540 20 0 BDADRP C[C@H]1COCC[C@H]1[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424378096 206038717 /nfs/dbraw/zinc/03/87/17/206038717.db2.gz SBMWTJGLMJHDDA-IRCOFANPSA-N 2 0 212.337 1.271 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@]1(CC)CCC[NH2+]1 ZINC000134369917 169002283 /nfs/dbraw/zinc/00/22/83/169002283.db2.gz DRDORNODFRBRII-YPMHNXCESA-N 2 0 241.379 1.152 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@H](C(C)C)[NH+](C)C ZINC000162747682 169002520 /nfs/dbraw/zinc/00/25/20/169002520.db2.gz SBQQSSZVDAQKTM-NEPJUHHUSA-N 2 0 243.395 1.206 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)NC1CC[NH+](CC)CC1 ZINC000038098318 169006385 /nfs/dbraw/zinc/00/63/85/169006385.db2.gz HJCWQXSDOIJKBL-LBPRGKRZSA-N 2 0 241.379 1.104 20 0 BDADRP CCC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000220956823 134314788 /nfs/dbraw/zinc/31/47/88/134314788.db2.gz DBIZBRJBORRAFW-MELADBBJSA-N 2 0 240.391 1.564 20 0 BDADRP OC[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000353509716 183138858 /nfs/dbraw/zinc/13/88/58/183138858.db2.gz LGPJJDNBJVIJSP-IHRRRGAJSA-N 2 0 238.375 1.221 20 0 BDADRP CCC[N@H+](C)C[C@H]1CC[NH+](CC[C@H](C)O)C1 ZINC000336688733 169079483 /nfs/dbraw/zinc/07/94/83/169079483.db2.gz YQXIWZZFPUTYIQ-QWHCGFSZSA-N 2 0 228.380 1.421 20 0 BDADRP CCC[N@H+](CC)CCNC(=O)[C@@H](CC)[NH+](C)C ZINC000120892270 169120002 /nfs/dbraw/zinc/12/00/02/169120002.db2.gz GFSDHEMPCHSARK-GFCCVEGCSA-N 2 0 243.395 1.175 20 0 BDADRP CCC[NH+](CCC)CCCNC(=O)C1([NH3+])CC1 ZINC000236990816 169147876 /nfs/dbraw/zinc/14/78/76/169147876.db2.gz KMKFOCXRJSUGSA-UHFFFAOYSA-N 2 0 241.379 1.106 20 0 BDADRP CCC[NH+]1CCC(NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000132029544 169187939 /nfs/dbraw/zinc/18/79/39/169187939.db2.gz LGINVAAJUQMZOZ-CYBMUJFWSA-N 2 0 239.407 1.450 20 0 BDADRP CCC[NH+]1CCC(NC[C@H](C)[NH+](C)C)CC1 ZINC000038089003 169188122 /nfs/dbraw/zinc/18/81/22/169188122.db2.gz MMPQYBSAECUXMZ-LBPRGKRZSA-N 2 0 227.396 1.401 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H](CO)CC(C)C)CC1 ZINC000040773329 169189172 /nfs/dbraw/zinc/18/91/72/169189172.db2.gz JXYCWYVHFJOCPG-CQSZACIVSA-N 2 0 242.407 1.857 20 0 BDADRP CCC[NH+]1CCC(N[C@H]2CCC[NH2+]C2)CC1 ZINC000043325041 169189474 /nfs/dbraw/zinc/18/94/74/169189474.db2.gz AYENFEQBXXXHGK-ZDUSSCGKSA-N 2 0 225.380 1.202 20 0 BDADRP CCCN1CCC[C@@H]1C[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000353140668 169197076 /nfs/dbraw/zinc/19/70/76/169197076.db2.gz PPGQKBRPPPFTSZ-BFHYXJOUSA-N 2 0 239.407 1.401 20 0 BDADRP CCC[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107371932 169209116 /nfs/dbraw/zinc/20/91/16/169209116.db2.gz PRIWCRJLELUIOX-ZDUSSCGKSA-N 2 0 225.380 1.108 20 0 BDADRP c1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c[nH]1 ZINC000175699063 183350310 /nfs/dbraw/zinc/35/03/10/183350310.db2.gz DWQFIAKJTKIIFF-UHFFFAOYSA-N 2 0 233.359 1.979 20 0 BDADRP c1cc(C[NH2+]CCC[NH+]2CCCCC2)c[nH]1 ZINC000085578847 183350363 /nfs/dbraw/zinc/35/03/63/183350363.db2.gz AAFQHWPRKXTQOM-UHFFFAOYSA-N 2 0 221.348 1.980 20 0 BDADRP CCC[NH2+][C@@H](C)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000295310918 169273216 /nfs/dbraw/zinc/27/32/16/169273216.db2.gz YJJJNLZCIPVIBP-WCQYABFASA-N 2 0 249.358 1.191 20 0 BDADRP CCC[C@@H]([NH3+])C(=O)NCC1([NH+](C)C)CCCC1 ZINC000110374527 169388978 /nfs/dbraw/zinc/38/89/78/169388978.db2.gz GFEICUNAUXUQFA-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP [NH3+]CCCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000224129484 134341786 /nfs/dbraw/zinc/34/17/86/134341786.db2.gz SOFOEWPWPHHJPR-RWMBFGLXSA-N 2 0 225.380 1.236 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cscn2)C1 ZINC000069724125 383842482 /nfs/dbraw/zinc/84/24/82/383842482.db2.gz GNXFQUAJIMQOLN-JTQLQIEISA-N 2 0 225.361 1.704 20 0 BDADRP C[C@H]1C[C@@H](c2nc([C@H]3CCC[NH2+]3)no2)CC[NH2+]1 ZINC000647148081 383891900 /nfs/dbraw/zinc/89/19/00/383891900.db2.gz GAYSDVSPHGPRSY-LPEHRKFASA-N 2 0 236.319 1.350 20 0 BDADRP CCC[C@](C)([NH3+])c1nc(C[C@@H](C)[NH2+]C)no1 ZINC000569361512 383899549 /nfs/dbraw/zinc/89/95/49/383899549.db2.gz CMYPJWODGYGVGP-KCJUWKMLSA-N 2 0 226.324 1.194 20 0 BDADRP CCCN1CCC[C@H]1C[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000647210990 383902779 /nfs/dbraw/zinc/90/27/79/383902779.db2.gz LZRQWIGEAOZDQU-AVGNSLFASA-N 2 0 226.364 1.628 20 0 BDADRP CCCC[NH+]1CCC(NCc2cncnc2)CC1 ZINC000054767835 383979699 /nfs/dbraw/zinc/97/96/99/383979699.db2.gz ZNACYUVNWPDQHL-UHFFFAOYSA-N 2 0 248.374 1.831 20 0 BDADRP Cc1ccsc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050245291 383986257 /nfs/dbraw/zinc/98/62/57/383986257.db2.gz RVCCJDBXWCCRCM-SNVBAGLBSA-N 2 0 210.346 1.837 20 0 BDADRP CC[C@]1(C)CC[N@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000518547195 383997478 /nfs/dbraw/zinc/99/74/78/383997478.db2.gz YDTZXNKERHOTQT-NEPJUHHUSA-N 2 0 214.353 1.079 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCCC[N@H+](C)C2CC2)CO1 ZINC000647216427 384018860 /nfs/dbraw/zinc/01/88/60/384018860.db2.gz JTJULTKEMUHUFX-NEPJUHHUSA-N 2 0 226.364 1.628 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)CO1 ZINC000647216430 384019284 /nfs/dbraw/zinc/01/92/84/384019284.db2.gz JTJULTKEMUHUFX-VXGBXAGGSA-N 2 0 226.364 1.628 20 0 BDADRP Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000643549175 384038327 /nfs/dbraw/zinc/03/83/27/384038327.db2.gz OXUOKQWMJIGKHA-FTYKPCCVSA-N 2 0 248.374 1.757 20 0 BDADRP C[C@@H](C[NH3+])c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000647158865 384085302 /nfs/dbraw/zinc/08/53/02/384085302.db2.gz OXAUIZWTSOADNP-QMMMGPOBSA-N 2 0 232.287 1.258 20 0 BDADRP C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCN1CCCO ZINC000449384460 384126311 /nfs/dbraw/zinc/12/63/11/384126311.db2.gz BAZWQUWRWIDTHC-MGPQQGTHSA-N 2 0 240.391 1.611 20 0 BDADRP Cn1cnc(CC[NH2+]C2CC(C)(C)C2)c1 ZINC000313253508 384164034 /nfs/dbraw/zinc/16/40/34/384164034.db2.gz NCPBSCGWAIPEDI-UHFFFAOYSA-N 2 0 207.321 1.741 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000309775169 384170603 /nfs/dbraw/zinc/17/06/03/384170603.db2.gz LNBQMGYWEPZYHX-ONGXEEELSA-N 2 0 232.318 1.962 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CC[C@H](C)C1 ZINC000300244271 384230543 /nfs/dbraw/zinc/23/05/43/384230543.db2.gz WVGLFCBRFWMVDT-XQQFMLRXSA-N 2 0 228.380 1.766 20 0 BDADRP C[N@@H+](Cc1cc[nH]n1)CC1CC[NH+](C)CC1 ZINC000093089349 384210425 /nfs/dbraw/zinc/21/04/25/384210425.db2.gz JLJDPUOOMPWQAB-UHFFFAOYSA-N 2 0 222.336 1.183 20 0 BDADRP C[C@H]([NH3+])[C@H]1CN(C[C@H]2CCC(F)(F)C2)CCO1 ZINC000302509661 384217279 /nfs/dbraw/zinc/21/72/79/384217279.db2.gz VAZDHAMNCUSYBZ-GARJFASQSA-N 2 0 248.317 1.470 20 0 BDADRP C[C@@H]1C[C@H]([N@H+](C)CCCCCO)CCN1C ZINC000173528823 384225145 /nfs/dbraw/zinc/22/51/45/384225145.db2.gz SVJHTWCMDOBRNR-CHWSQXEVSA-N 2 0 228.380 1.564 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCCC2)CO1 ZINC000401909511 384247062 /nfs/dbraw/zinc/24/70/62/384247062.db2.gz VWQFWHIFIKIBBB-NEPJUHHUSA-N 2 0 212.337 1.239 20 0 BDADRP Cn1cccc1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093604559 384251953 /nfs/dbraw/zinc/25/19/53/384251953.db2.gz YSBFYUWWRIGZAT-AWEZNQCLSA-N 2 0 247.386 1.943 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CC[C@H](C)C1 ZINC000300024157 384277997 /nfs/dbraw/zinc/27/79/97/384277997.db2.gz LLJSUYYAQLFIQW-SRVKXCTJSA-N 2 0 214.353 1.519 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCC1(O)CCC1 ZINC000332469093 384312833 /nfs/dbraw/zinc/31/28/33/384312833.db2.gz MPLCQGHZNFPEMD-RYUDHWBXSA-N 2 0 226.364 1.399 20 0 BDADRP C[N@H+](CCOc1ccccc1)CC1CC[NH2+]CC1 ZINC000094024461 384285093 /nfs/dbraw/zinc/28/50/93/384285093.db2.gz WDOIIZGCFWVSTI-UHFFFAOYSA-N 2 0 248.370 1.997 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](CCOC(C)C)C1 ZINC000173921973 384288821 /nfs/dbraw/zinc/28/88/21/384288821.db2.gz UBOYXHDSIFYJKC-CYBMUJFWSA-N 2 0 228.380 1.685 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCSC1 ZINC000300230568 384332972 /nfs/dbraw/zinc/33/29/72/384332972.db2.gz BHQMOEHPLKPLMC-GRYCIOLGSA-N 2 0 228.405 1.669 20 0 BDADRP CC(C)OC1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000568087380 384385781 /nfs/dbraw/zinc/38/57/81/384385781.db2.gz CFZINNXDUJNFSE-AWEZNQCLSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@@H](C)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000181127986 384449559 /nfs/dbraw/zinc/44/95/59/384449559.db2.gz UMVOHTZEVCGZBA-GFCCVEGCSA-N 2 0 228.380 1.564 20 0 BDADRP [NH3+]CCCC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000147856036 384455474 /nfs/dbraw/zinc/45/54/74/384455474.db2.gz MFUKYKDHABELAJ-CHWSQXEVSA-N 3 0 219.332 1.460 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC1CCOCC1 ZINC000082544841 384430724 /nfs/dbraw/zinc/43/07/24/384430724.db2.gz VGZAXBZNHVMUBS-ZYHUDNBSSA-N 2 0 212.337 1.225 20 0 BDADRP CC[C@H](C)N1CCO[C@H](C[NH+](C)C)C1 ZINC000181061083 384435207 /nfs/dbraw/zinc/43/52/07/384435207.db2.gz YBNUPTAIDQIACL-WDEREUQCSA-N 2 0 200.326 1.047 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)CCC(C)(C)[NH3+])c1 ZINC000648180318 384462132 /nfs/dbraw/zinc/46/21/32/384462132.db2.gz VHTXKGXMVGHDRB-UHFFFAOYSA-N 2 0 249.358 1.910 20 0 BDADRP C[C@H]1OCC[N@H+](CCC2CC[NH2+]CC2)[C@H]1C ZINC000335663075 384472092 /nfs/dbraw/zinc/47/20/92/384472092.db2.gz LFPMDVKKJPZGNC-NWDGAFQWSA-N 2 0 226.364 1.485 20 0 BDADRP CC(C)C[C@H]([NH3+])C(=O)NCC(C)(C)C[NH+](C)C ZINC000019429215 384522892 /nfs/dbraw/zinc/52/28/92/384522892.db2.gz XAGHWALOSPFSNU-NSHDSACASA-N 2 0 243.395 1.064 20 0 BDADRP CC[N@H+](CC[C@@H]1CCC[NH2+]C1)C[C@@H]1CCOC1 ZINC000643056777 384559442 /nfs/dbraw/zinc/55/94/42/384559442.db2.gz DPYFNAONGKKWHL-KBPBESRZSA-N 2 0 240.391 1.735 20 0 BDADRP CC(C)C[C@H]([NH3+])C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000161879097 384537711 /nfs/dbraw/zinc/53/77/11/384537711.db2.gz KOIKJYZNRUUXPF-RYUDHWBXSA-N 2 0 243.395 1.192 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643066557 384580003 /nfs/dbraw/zinc/58/00/03/384580003.db2.gz QDVUUWQSFSNESK-KBPBESRZSA-N 2 0 239.407 1.402 20 0 BDADRP C[N@H+](CCOCC[NH3+])Cc1ccc2c(c1)CCC2 ZINC000306020791 384565451 /nfs/dbraw/zinc/56/54/51/384565451.db2.gz NWUMQTLKOUMEBW-UHFFFAOYSA-N 2 0 248.370 1.582 20 0 BDADRP Cc1cccc(CC[NH2+][C@@H](C)C[C@H](C)[NH3+])n1 ZINC000423090696 384566658 /nfs/dbraw/zinc/56/66/58/384566658.db2.gz YGIXQSNCALWCDJ-JQWIXIFHSA-N 2 0 221.348 1.648 20 0 BDADRP CC(C)CN1CCO[C@@H](C[NH2+]C(C)C)C1 ZINC000176361585 384611659 /nfs/dbraw/zinc/61/16/59/384611659.db2.gz WJNPFBMLVSGJIA-LBPRGKRZSA-N 2 0 214.353 1.341 20 0 BDADRP CC(C)[C@H]1CN(CC[NH2+]C(C)(C)C)CC[NH2+]1 ZINC000647531673 384634094 /nfs/dbraw/zinc/63/40/94/384634094.db2.gz QBVADBNYWXUPIC-GFCCVEGCSA-N 2 0 227.396 1.304 20 0 BDADRP CC(C)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000086723469 384679399 /nfs/dbraw/zinc/67/93/99/384679399.db2.gz KIODRGRHBJFUTG-UHFFFAOYSA-N 2 0 214.353 1.472 20 0 BDADRP C[N@@H+]1CCN(CC[NH2+]CC2CC2)CC1(C)C ZINC000082485267 384684835 /nfs/dbraw/zinc/68/48/35/384684835.db2.gz OQAWTSZFEWGGFW-UHFFFAOYSA-N 2 0 225.380 1.012 20 0 BDADRP c1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n[nH]1 ZINC000647542729 384703201 /nfs/dbraw/zinc/70/32/01/384703201.db2.gz AXWMETNRWZLWHF-CHWSQXEVSA-N 2 0 248.374 1.621 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCCC(F)(F)[C@H]1O ZINC000423182970 384718784 /nfs/dbraw/zinc/71/87/84/384718784.db2.gz MDDODENHYHIVBM-QEYWKRMJSA-N 2 0 236.306 1.251 20 0 BDADRP C[N@@H+]1CC[C@H](NCCC[NH3+])C[C@H]1c1ccccc1 ZINC000423187679 384719887 /nfs/dbraw/zinc/71/98/87/384719887.db2.gz LFBJXKYSXWWKCT-GJZGRUSLSA-N 3 0 247.386 1.760 20 0 BDADRP C[C@H]1CCC[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)C1 ZINC000336191131 384720681 /nfs/dbraw/zinc/72/06/81/384720681.db2.gz CBSJQKLKRRUMEL-STQMWFEESA-N 2 0 240.391 1.611 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)C1 ZINC000449094430 384721778 /nfs/dbraw/zinc/72/17/78/384721778.db2.gz RXROJPXUDDMRNB-AAVRWANBSA-N 2 0 240.391 1.874 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@H]1C[N@H+](C)C[C@@H]1C ZINC000309929952 384729136 /nfs/dbraw/zinc/72/91/36/384729136.db2.gz XLDPRLKNKDWMGV-XQQFMLRXSA-N 2 0 227.396 1.256 20 0 BDADRP Cc1nc2ccccn2c1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000518185873 384778934 /nfs/dbraw/zinc/77/89/34/384778934.db2.gz URQLVXULYGDVHE-MNOVXSKESA-N 2 0 246.358 1.858 20 0 BDADRP C[C@@H]([NH3+])c1ccc(CN[C@H]2C[NH2+]C[C@@H](C)C2)cc1 ZINC000647546720 384734453 /nfs/dbraw/zinc/73/44/53/384734453.db2.gz XOXBOCDKPCDYNX-YWPYICTPSA-N 2 0 247.386 1.794 20 0 BDADRP COC[C@H](C)C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000054243817 384738040 /nfs/dbraw/zinc/73/80/40/384738040.db2.gz HPZCPULEFGPAFR-VXGBXAGGSA-N 2 0 214.353 1.200 20 0 BDADRP C[C@H](NC[C@H](O)C[N@H+](C)C1CC1)c1ccccn1 ZINC000289577372 384755733 /nfs/dbraw/zinc/75/57/33/384755733.db2.gz QYODYHTUBKFYCQ-AAEUAGOBSA-N 2 0 249.358 1.187 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647552139 384756834 /nfs/dbraw/zinc/75/68/34/384756834.db2.gz HSDGJLKUXYTGKC-JZRPKSSGSA-N 3 0 225.380 1.090 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc2c(c1)ncn2C ZINC000647552262 384757567 /nfs/dbraw/zinc/75/75/67/384757567.db2.gz NUDLTIWKZDTFDM-WDEREUQCSA-N 2 0 246.358 1.789 20 0 BDADRP FCCC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000334996503 384780307 /nfs/dbraw/zinc/78/03/07/384780307.db2.gz ODAZWNGWKYDKFF-UHFFFAOYSA-N 2 0 200.301 1.422 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C(C)C ZINC000309986450 384767366 /nfs/dbraw/zinc/76/73/66/384767366.db2.gz YMQWNUGIIBWUOT-FRRDWIJNSA-N 2 0 228.380 1.730 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN[C@H]1CC[NH2+]C12CCCC2 ZINC000647554107 384772129 /nfs/dbraw/zinc/77/21/29/384772129.db2.gz RAAARWDFPBFJLE-OLZOCXBDSA-N 2 0 239.407 1.624 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)C(C)C ZINC000361816282 384817978 /nfs/dbraw/zinc/81/79/78/384817978.db2.gz XKEAPAPPRGEQJS-AAVRWANBSA-N 2 0 242.407 1.976 20 0 BDADRP C[C@H](C[NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000054343556 384833053 /nfs/dbraw/zinc/83/30/53/384833053.db2.gz PBWRUOYZBIZNOU-YPMHNXCESA-N 2 0 249.358 1.000 20 0 BDADRP C[C@H](C[NH3+])C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000054343562 384833336 /nfs/dbraw/zinc/83/33/36/384833336.db2.gz PBWRUOYZBIZNOU-DGCLKSJQSA-N 2 0 249.358 1.000 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000423294006 384788518 /nfs/dbraw/zinc/78/85/18/384788518.db2.gz AXQWSNLWIGRMBR-ZANVPECISA-N 2 0 222.307 1.997 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CCOC2)C[C@H]1C[NH3+] ZINC000397331968 384796076 /nfs/dbraw/zinc/79/60/76/384796076.db2.gz RHHZQBMFDJUKJK-MROQNXINSA-N 2 0 226.364 1.328 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@@]1(C)CCCS1 ZINC000308553857 384803750 /nfs/dbraw/zinc/80/37/50/384803750.db2.gz UFWMODVSNJBEHG-GHMZBOCLSA-N 2 0 216.394 1.989 20 0 BDADRP c1ccc(COCC[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000390011222 384806294 /nfs/dbraw/zinc/80/62/94/384806294.db2.gz JDKAEBOCEAMTET-HNNXBMFYSA-N 2 0 248.370 1.792 20 0 BDADRP COC[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000398123428 384806237 /nfs/dbraw/zinc/80/62/37/384806237.db2.gz QYDRURYOYODYEX-AAEUAGOBSA-N 2 0 226.364 1.391 20 0 BDADRP CC[NH+](CC)CCCN[C@@H]1C[N@H+](C)C[C@H]1C ZINC000336755829 384841831 /nfs/dbraw/zinc/84/18/31/384841831.db2.gz GNLGIAKQYNXRBD-CHWSQXEVSA-N 2 0 227.396 1.258 20 0 BDADRP CC(C)CCOCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000310120884 384844903 /nfs/dbraw/zinc/84/49/03/384844903.db2.gz DOTMKUBCLKMNJJ-ZIAGYGMSSA-N 2 0 240.391 1.590 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCC2CC[NH+](C)CC2)CCO1 ZINC000163690442 384846449 /nfs/dbraw/zinc/84/64/49/384846449.db2.gz SWBQYSQITGFGQY-JSGCOSHPSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)C1CC1 ZINC000151875032 384857381 /nfs/dbraw/zinc/85/73/81/384857381.db2.gz HLZRTEOEQAFNRM-CQSZACIVSA-N 2 0 240.391 1.469 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCCOC(F)F ZINC000398240930 384861512 /nfs/dbraw/zinc/86/15/12/384861512.db2.gz WXGCJTBLOKTHRB-VHSXEESVSA-N 2 0 236.306 1.723 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCc1cccc(F)c1 ZINC000259026904 384958973 /nfs/dbraw/zinc/95/89/73/384958973.db2.gz OOSWRNXEAWWVHD-CHWSQXEVSA-N 2 0 222.307 1.838 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCOC[C@H]2C)C1 ZINC000306016299 384916700 /nfs/dbraw/zinc/91/67/00/384916700.db2.gz RYPDKCRVIWFVOZ-RDBSUJKOSA-N 2 0 240.391 1.731 20 0 BDADRP CC(C)CN(CC[NH+](C)C)C(=O)[C@H](C)[C@H](C)[NH3+] ZINC000156663525 384920329 /nfs/dbraw/zinc/92/03/29/384920329.db2.gz QGRXGHKHYFEEMV-NEPJUHHUSA-N 2 0 243.395 1.016 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cccc2c1NCC2 ZINC000566230026 384959565 /nfs/dbraw/zinc/95/95/65/384959565.db2.gz AAYVNGZHROHGDM-GHMZBOCLSA-N 2 0 233.359 1.870 20 0 BDADRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccccc1 ZINC000258664969 384935125 /nfs/dbraw/zinc/93/51/25/384935125.db2.gz NWHNXCVCNDXCHN-CYBMUJFWSA-N 2 0 233.359 1.242 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]Cc1ccc2c(c1)ncn2C ZINC000258671683 384936531 /nfs/dbraw/zinc/93/65/31/384936531.db2.gz CUFWZYIBUXKPQJ-JTQLQIEISA-N 2 0 232.331 1.258 20 0 BDADRP C[C@@H](O)C1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000226437498 385021312 /nfs/dbraw/zinc/02/13/12/385021312.db2.gz FFDBCCRFMOCKGP-VXGBXAGGSA-N 2 0 226.364 1.079 20 0 BDADRP CC[C@H](O)C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000644569899 384967443 /nfs/dbraw/zinc/96/74/43/384967443.db2.gz MGBMSZMVRXMYNJ-RYUDHWBXSA-N 2 0 230.396 1.713 20 0 BDADRP Cn1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000128100626 384994020 /nfs/dbraw/zinc/99/40/20/384994020.db2.gz AWBOTEDFUAKKNQ-UONOGXRCSA-N 2 0 233.359 1.742 20 0 BDADRP CC[C@@H](O)C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000644606478 384999320 /nfs/dbraw/zinc/99/93/20/384999320.db2.gz CLXDSPTUHKTFHP-WXRRBKDZSA-N 2 0 228.380 1.467 20 0 BDADRP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423494609 385001284 /nfs/dbraw/zinc/00/12/84/385001284.db2.gz SIOZZULIONNINA-AVGNSLFASA-N 2 0 226.364 1.389 20 0 BDADRP C[C@@H]1C[C@@H](C)N(Cc2ccns2)C[C@@H]1C[NH3+] ZINC000404472526 385017669 /nfs/dbraw/zinc/01/76/69/385017669.db2.gz SIYWXXOEJHEMNF-MXWKQRLJSA-N 2 0 239.388 1.948 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCc1ccccc1 ZINC000404789848 385060766 /nfs/dbraw/zinc/06/07/66/385060766.db2.gz QVDRLMAACBDANJ-OLZOCXBDSA-N 2 0 218.344 1.945 20 0 BDADRP CC[C@@H](C[NH2+]C1CC[NH+](C(C)C)CC1)OC ZINC000336671078 385070699 /nfs/dbraw/zinc/07/06/99/385070699.db2.gz NOMAPTYZSLFULW-ZDUSSCGKSA-N 2 0 228.380 1.874 20 0 BDADRP Cc1cnccc1C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000404795527 385071376 /nfs/dbraw/zinc/07/13/76/385071376.db2.gz SRQOTAVRTJZVKN-RYUDHWBXSA-N 2 0 219.332 1.605 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC1CCOCC1 ZINC000404799784 385072798 /nfs/dbraw/zinc/07/27/98/385072798.db2.gz KFGISAPRDJWPJR-GHMZBOCLSA-N 2 0 212.337 1.128 20 0 BDADRP C(C[NH2+]C1CC1)C[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000423552369 385027000 /nfs/dbraw/zinc/02/70/00/385027000.db2.gz JSQRDBIZBGAGNW-QWHCGFSZSA-N 2 0 208.349 1.907 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)CO1 ZINC000647206349 385027525 /nfs/dbraw/zinc/02/75/25/385027525.db2.gz PSRFCCHJSYWWHR-OLZOCXBDSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@H](COC)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000310021037 385045171 /nfs/dbraw/zinc/04/51/71/385045171.db2.gz NHJDTYHTJNKYIR-PNESKVBLSA-N 2 0 228.380 1.874 20 0 BDADRP CC(C)C[C@@H]([NH3+])c1noc(CC[C@H](C)[NH3+])n1 ZINC000647132995 385046719 /nfs/dbraw/zinc/04/67/19/385046719.db2.gz HPCWEINIWJXZFM-DTWKUNHWSA-N 2 0 226.324 1.395 20 0 BDADRP CC(C)C[C@H]([NH3+])c1noc([C@@H]2C[C@H]3C[C@H]3[NH2+]2)n1 ZINC000647133089 385046996 /nfs/dbraw/zinc/04/69/96/385046996.db2.gz ZYCZWJNPGQAOER-RGOKHQFPSA-N 2 0 236.319 1.538 20 0 BDADRP C1CC12C[C@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000424181272 385109065 /nfs/dbraw/zinc/10/90/65/385109065.db2.gz BTJNLRXZRCSBOR-IJLUTSLNSA-N 2 0 206.333 1.755 20 0 BDADRP C1CC12C[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000424181278 385109500 /nfs/dbraw/zinc/10/95/00/385109500.db2.gz BTJNLRXZRCSBOR-UTUOFQBUSA-N 2 0 206.333 1.755 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCc2cnccn2)CC[N@@H+]1C ZINC000341883024 385114025 /nfs/dbraw/zinc/11/40/25/385114025.db2.gz TZKJPRVMKUMOMR-VXGBXAGGSA-N 2 0 234.347 1.091 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1NCCC[NH+]1CCCCC1 ZINC000404876716 385119768 /nfs/dbraw/zinc/11/97/68/385119768.db2.gz XCNACDNPTNBOEW-OLZOCXBDSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000404837771 385096995 /nfs/dbraw/zinc/09/69/95/385096995.db2.gz ASKNTAAGZFPOMS-ZRUFSTJUSA-N 2 0 212.337 1.127 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCc2ccccn2)CC[N@@H+]1C ZINC000129521972 385158584 /nfs/dbraw/zinc/15/85/84/385158584.db2.gz PMHDAMZRJLRMEV-TZMCWYRMSA-N 2 0 233.359 1.696 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC23CC3)[C@H](C)C1 ZINC000424320048 385160794 /nfs/dbraw/zinc/16/07/94/385160794.db2.gz IPTCDMJSBDZZMZ-GRYCIOLGSA-N 2 0 208.349 1.859 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)[C@@]1(C)CCCO1 ZINC000559767187 385165267 /nfs/dbraw/zinc/16/52/67/385165267.db2.gz QWXYEGPKTVCWID-BFHYXJOUSA-N 2 0 240.391 1.875 20 0 BDADRP COCCC[C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000178038727 385175246 /nfs/dbraw/zinc/17/52/46/385175246.db2.gz OUCVVYXBTZGOIT-GFCCVEGCSA-N 2 0 230.396 1.979 20 0 BDADRP C(C[N@H+](C1CC1)C1CC[NH2+]CC1)[C@@H]1CCOC1 ZINC000647482691 385211112 /nfs/dbraw/zinc/21/11/12/385211112.db2.gz YQXFEIDDGZWMDL-GFCCVEGCSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CC[C@H]1CCCCO1 ZINC000308871904 385228215 /nfs/dbraw/zinc/22/82/15/385228215.db2.gz SOILTJPUGDLHAM-VXGBXAGGSA-N 2 0 214.353 1.663 20 0 BDADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCOC2(C)C)CC1 ZINC000336352567 385240619 /nfs/dbraw/zinc/24/06/19/385240619.db2.gz YMWWKQCRULNQHY-LBPRGKRZSA-N 2 0 224.348 1.405 20 0 BDADRP C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCCC[NH2+]1 ZINC000333342311 385251921 /nfs/dbraw/zinc/25/19/21/385251921.db2.gz YJSAPJLKDFNBFJ-LOWDOPEQSA-N 2 0 225.380 1.377 20 0 BDADRP C(C1CC[NH2+]CC1)[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482504 385205425 /nfs/dbraw/zinc/20/54/25/385205425.db2.gz KLMDIUJMNVPOGW-UHFFFAOYSA-N 3 0 237.391 1.202 20 0 BDADRP CCOc1ccc(CN2CC[C@@H]([NH3+])C2)cc1 ZINC000050227806 385306619 /nfs/dbraw/zinc/30/66/19/385306619.db2.gz PAQPPUVZDFFFRI-GFCCVEGCSA-N 2 0 220.316 1.618 20 0 BDADRP Cc1occc1CNC1CC[NH+](C)CC1 ZINC000308966344 385317710 /nfs/dbraw/zinc/31/77/10/385317710.db2.gz VYNUMHJLFABJDX-UHFFFAOYSA-N 2 0 208.305 1.772 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C1CCSCC1 ZINC000220690497 385264721 /nfs/dbraw/zinc/26/47/21/385264721.db2.gz DHNAFYYILJJUMF-ONGXEEELSA-N 2 0 214.378 1.599 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CCN1CCCCC1 ZINC000308981487 385323561 /nfs/dbraw/zinc/32/35/61/385323561.db2.gz FAIQKNRALMEYPI-LBPRGKRZSA-N 2 0 213.369 1.189 20 0 BDADRP COCC(C)(C)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000179421905 385374015 /nfs/dbraw/zinc/37/40/15/385374015.db2.gz LRPCEKGMKSEOKJ-LLVKDONJSA-N 2 0 214.353 1.485 20 0 BDADRP Cc1cncc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000299932446 385326802 /nfs/dbraw/zinc/32/68/02/385326802.db2.gz YHTRSBVMKSCJRN-KKUMJFAQSA-N 2 0 245.370 1.949 20 0 BDADRP CC[C@H]1CN(Cc2c[nH]nc2C)CC[C@@H]1[NH3+] ZINC000647498436 385419966 /nfs/dbraw/zinc/41/99/66/385419966.db2.gz HBYCHEXNADCWDL-JQWIXIFHSA-N 2 0 222.336 1.277 20 0 BDADRP CC[C@@H]1CN(Cc2c[nH]nc2C)CC[C@H]1[NH3+] ZINC000647498438 385420428 /nfs/dbraw/zinc/42/04/28/385420428.db2.gz HBYCHEXNADCWDL-ZYHUDNBSSA-N 2 0 222.336 1.277 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[NH2+]CC1(C)C ZINC000647500504 385446083 /nfs/dbraw/zinc/44/60/83/385446083.db2.gz YUYSGLSPQJDOTA-NSHDSACASA-N 2 0 213.369 1.044 20 0 BDADRP CO[C@@H](C)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000182187394 385433038 /nfs/dbraw/zinc/43/30/38/385433038.db2.gz ZXSAYAPZPNXNSJ-NWDGAFQWSA-N 2 0 214.353 1.295 20 0 BDADRP COC1CC([NH2+]C[C@H]2N(C)CCCC2(C)C)C1 ZINC000448369487 385467089 /nfs/dbraw/zinc/46/70/89/385467089.db2.gz ZDRFFUIUSLOQDX-WXRRBKDZSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CC(C)(C)CCCO ZINC000309325228 385530631 /nfs/dbraw/zinc/53/06/31/385530631.db2.gz HTSCRDBHFXPEGK-GFCCVEGCSA-N 2 0 230.396 1.892 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000309307473 385525104 /nfs/dbraw/zinc/52/51/04/385525104.db2.gz DNNFFPBILZJLPG-FRRDWIJNSA-N 2 0 228.380 1.645 20 0 BDADRP CCOc1cccc(CN(C)CC[NH3+])c1 ZINC000054417081 385582897 /nfs/dbraw/zinc/58/28/97/385582897.db2.gz LPGZVRKVQRJSOO-UHFFFAOYSA-N 2 0 208.305 1.476 20 0 BDADRP CC[NH+](CC)[C@@H](C)CNCc1nccn1C ZINC000309460611 385592530 /nfs/dbraw/zinc/59/25/30/385592530.db2.gz NUBPWLUWMACBKO-NSHDSACASA-N 2 0 224.352 1.240 20 0 BDADRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]CC2(C)COC2)C1 ZINC000336678665 385616699 /nfs/dbraw/zinc/61/66/99/385616699.db2.gz BYQDXTXHYWMFDI-NEPJUHHUSA-N 2 0 226.364 1.485 20 0 BDADRP CC[NH+](CC)CCC[NH2+]CC(C)(C)COC ZINC000309499433 385624334 /nfs/dbraw/zinc/62/43/34/385624334.db2.gz ZICHYKFMOKNJGR-UHFFFAOYSA-N 2 0 230.396 1.981 20 0 BDADRP FCCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000336680074 385626138 /nfs/dbraw/zinc/62/61/38/385626138.db2.gz IUDCCRMJPNSTKJ-RYUDHWBXSA-N 2 0 214.328 1.953 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000082645556 385627172 /nfs/dbraw/zinc/62/71/72/385627172.db2.gz ZOSDDKYYVJHOQR-WCQYABFASA-N 2 0 219.332 1.641 20 0 BDADRP C(C[C@@H]1CCC[NH2+]C1)[NH2+][C@@H]1CCCSC1 ZINC000414847997 385608404 /nfs/dbraw/zinc/60/84/04/385608404.db2.gz WNYRFBLCQDNFLO-NWDGAFQWSA-N 2 0 228.405 1.861 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCCCCF)C1 ZINC000336681967 385638790 /nfs/dbraw/zinc/63/87/90/385638790.db2.gz HYFSCKLIHKJPIC-QWRGUYRKSA-N 2 0 202.317 1.795 20 0 BDADRP CO[C@H](C)C[N@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000182213341 385644906 /nfs/dbraw/zinc/64/49/06/385644906.db2.gz DIMRCJPPWALXQW-TUAOUCFPSA-N 2 0 214.353 1.436 20 0 BDADRP C[C@H](CCO)[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000309567736 385702751 /nfs/dbraw/zinc/70/27/51/385702751.db2.gz MRXMHTPKIKEBKT-LPWJVIDDSA-N 2 0 226.364 1.220 20 0 BDADRP C[C@@H](NC(=O)CCC(C)(C)[NH3+])[C@H]1CCC[NH2+]C1 ZINC000647718714 385667915 /nfs/dbraw/zinc/66/79/15/385667915.db2.gz GKQCUCJXAXKEPX-MNOVXSKESA-N 2 0 241.379 1.008 20 0 BDADRP C[NH2+]CCCN[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000414858212 385734164 /nfs/dbraw/zinc/73/41/64/385734164.db2.gz IDOQGPVIYPIDLP-GJZGRUSLSA-N 2 0 247.386 1.679 20 0 BDADRP CC[C@H](COC)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000336699649 385757329 /nfs/dbraw/zinc/75/73/29/385757329.db2.gz WUAALTMPLMDUKC-GHMZBOCLSA-N 2 0 202.342 1.199 20 0 BDADRP CCc1cc(OC)ccc1C[NH2+]CCC[NH2+]C ZINC000414863603 385758527 /nfs/dbraw/zinc/75/85/27/385758527.db2.gz XUALYZLZTBDGFB-UHFFFAOYSA-N 2 0 236.359 1.957 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC2CCC1CC2 ZINC000336655724 385764267 /nfs/dbraw/zinc/76/42/67/385764267.db2.gz JMKWWALSFVMRQP-CLRIEMFWSA-N 2 0 240.391 1.909 20 0 BDADRP C[NH+](C)CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000309648207 385767710 /nfs/dbraw/zinc/76/77/10/385767710.db2.gz MZPKXGUHUDYNGI-YNEHKIRRSA-N 2 0 225.380 1.010 20 0 BDADRP COC[C@H]([NH2+]CCC[NH+](C)C)C1CCCC1 ZINC000309651398 385769633 /nfs/dbraw/zinc/76/96/33/385769633.db2.gz OEAHIZTZPIKJIF-ZDUSSCGKSA-N 2 0 228.380 1.733 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@H](CCO)C(C)C ZINC000309666605 385781245 /nfs/dbraw/zinc/78/12/45/385781245.db2.gz ULGKZKYDEVAAEC-ZDUSSCGKSA-N 2 0 230.396 1.715 20 0 BDADRP CC[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+]C[C@H]2C)[C@H](C)C1 ZINC000414944723 385784259 /nfs/dbraw/zinc/78/42/59/385784259.db2.gz QGVHYMULYHWNDS-SYQHCUMBSA-N 2 0 239.407 1.304 20 0 BDADRP C[C@@H](CN(C)Cc1ccccc1)[NH2+][C@H]1CCOC1 ZINC000309697627 385798352 /nfs/dbraw/zinc/79/83/52/385798352.db2.gz FMRNHHSWHYEAMR-ZFWWWQNUSA-N 2 0 248.370 1.885 20 0 BDADRP CCCC[C@H](COC)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414945406 385799011 /nfs/dbraw/zinc/79/90/11/385799011.db2.gz RLOWHUKRHRQPFP-UPJWGTAASA-N 2 0 228.380 1.779 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647799962 385803558 /nfs/dbraw/zinc/80/35/58/385803558.db2.gz VSEJVLUJMWTILR-MQLXINIDSA-N 2 0 238.375 1.532 20 0 BDADRP CCC[C@H](C)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000336714235 385808850 /nfs/dbraw/zinc/80/88/50/385808850.db2.gz WAFNYOAZQIGPJA-AVGNSLFASA-N 2 0 210.365 1.964 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CCO[C@H](C)C1)C[NH+](C)C ZINC000336714747 385811608 /nfs/dbraw/zinc/81/16/08/385811608.db2.gz WEBKYTOZJAVIGZ-IJLUTSLNSA-N 2 0 214.353 1.341 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H](C)CC(F)F ZINC000647801588 385813009 /nfs/dbraw/zinc/81/30/09/385813009.db2.gz YRNQFLREZYXPHN-XHNCKOQMSA-N 2 0 208.296 1.993 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414954517 385829757 /nfs/dbraw/zinc/82/97/57/385829757.db2.gz SQMYNBHJRWLREK-SRVKXCTJSA-N 2 0 213.369 1.090 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000414869591 385837161 /nfs/dbraw/zinc/83/71/61/385837161.db2.gz ARVNRHJRABIEFV-CYBMUJFWSA-N 2 0 247.386 1.840 20 0 BDADRP COC[C@@H](CC(C)C)[NH2+]C[C@@H](C)C[NH3+] ZINC000414869227 385837224 /nfs/dbraw/zinc/83/72/24/385837224.db2.gz AIOCOPPCTLABLQ-WDEREUQCSA-N 2 0 202.342 1.232 20 0 BDADRP C[C@H]1SCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000647804411 385840520 /nfs/dbraw/zinc/84/05/20/385840520.db2.gz PYFLYCFFYYAVSE-NXQJVVEESA-N 2 0 226.389 1.753 20 0 BDADRP CC[NH2+][C@H](C)CNCc1c(C)nn(C)c1C ZINC000414955160 385841285 /nfs/dbraw/zinc/84/12/85/385841285.db2.gz LMXONFZFWQZICS-SECBINFHSA-N 2 0 224.352 1.125 20 0 BDADRP CC[N@H+](C[C@H](O)CN(C)C1CC1)CC(C)(C)C ZINC000336725451 385842572 /nfs/dbraw/zinc/84/25/72/385842572.db2.gz VCSZBLREVKEUBK-CYBMUJFWSA-N 2 0 242.407 1.810 20 0 BDADRP CC(C)[C@H](O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000366630317 385855137 /nfs/dbraw/zinc/85/51/37/385855137.db2.gz QPNUOTUPCKJBOI-QWHCGFSZSA-N 2 0 228.380 1.419 20 0 BDADRP C[C@H](CC[NH3+])[NH2+]Cc1cnc(N(C)C)s1 ZINC000414874524 385884319 /nfs/dbraw/zinc/88/43/19/385884319.db2.gz BDZITJTZYYDLNV-MRVPVSSYSA-N 2 0 228.365 1.036 20 0 BDADRP CC[N@H+](C)CCNC(=O)[C@H]([NH3+])c1ccccc1C ZINC000294716504 385888428 /nfs/dbraw/zinc/88/84/28/385888428.db2.gz BPEMOOBHVMMZNZ-CYBMUJFWSA-N 2 0 249.358 1.063 20 0 BDADRP C[C@@H]1CN(CCCC2CC[NH2+]CC2)CC[NH2+]1 ZINC000647842486 385892155 /nfs/dbraw/zinc/89/21/55/385892155.db2.gz BTTOKQMMCHUJHC-GFCCVEGCSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@H](CC[NH3+])[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000414875634 385896767 /nfs/dbraw/zinc/89/67/67/385896767.db2.gz CFWVGBZDLAOEEM-GFCCVEGCSA-N 2 0 248.374 1.509 20 0 BDADRP CC(C)C[C@@H](C)N(C)C(=O)CN(C)CCC[NH3+] ZINC000647848548 385898955 /nfs/dbraw/zinc/89/89/55/385898955.db2.gz TYRWEXAJAAKZKM-GFCCVEGCSA-N 2 0 243.395 1.160 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]Cc1cccc2c1OCCO2 ZINC000414875705 385900880 /nfs/dbraw/zinc/90/08/80/385900880.db2.gz KITMROBTSKOFNL-JTQLQIEISA-N 2 0 236.315 1.142 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000335037670 385929486 /nfs/dbraw/zinc/92/94/86/385929486.db2.gz DCSISZRXUWAKIS-TZMCWYRMSA-N 3 0 239.407 1.306 20 0 BDADRP COC[C@]1(C[NH2+][C@H](C)CC2CC2)CCC[NH2+]1 ZINC000414964872 385908690 /nfs/dbraw/zinc/90/86/90/385908690.db2.gz YTRLWMSMDKPUFY-DGCLKSJQSA-N 2 0 226.364 1.533 20 0 BDADRP COCC(C)(C)C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414964686 385909724 /nfs/dbraw/zinc/90/97/24/385909724.db2.gz MRGSUUBCGJGOHG-LBPRGKRZSA-N 2 0 228.380 1.781 20 0 BDADRP C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000294927473 385919336 /nfs/dbraw/zinc/91/93/36/385919336.db2.gz DBNUWWNZPIUXIU-VHSXEESVSA-N 2 0 247.342 1.254 20 0 BDADRP CCC[NH2+]CCN[C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000414877518 385919787 /nfs/dbraw/zinc/91/97/87/385919787.db2.gz XSROFRYVVLSFBW-NEPJUHHUSA-N 2 0 213.369 1.106 20 0 BDADRP C[C@@H](C(=O)Nc1ccc2c(c1)C[NH2+]CC2)[C@H](C)[NH3+] ZINC000294927477 385919833 /nfs/dbraw/zinc/91/98/33/385919833.db2.gz DBNUWWNZPIUXIU-ZJUUUORDSA-N 2 0 247.342 1.254 20 0 BDADRP C[C@@H]([NH2+][C@@H]1COc2ccccc2C1)C1C[NH2+]C1 ZINC000335032723 385921659 /nfs/dbraw/zinc/92/16/59/385921659.db2.gz YUVDBKQMKVPQCI-MFKMUULPSA-N 2 0 232.327 1.188 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000414872930 385871698 /nfs/dbraw/zinc/87/16/98/385871698.db2.gz GPDHHQXTDQSFBQ-LBPRGKRZSA-N 2 0 244.342 1.557 20 0 BDADRP COc1cccc(C[C@@H](C)[NH2+]CC2([NH3+])CCC2)n1 ZINC000414872921 385871772 /nfs/dbraw/zinc/87/17/72/385871772.db2.gz GNWRMISWQPLEQA-LLVKDONJSA-N 2 0 249.358 1.492 20 0 BDADRP CCCC[C@@H](CC)[NH2+]CCN1CC[NH2+]CC1 ZINC000414873592 385875628 /nfs/dbraw/zinc/87/56/28/385875628.db2.gz YDXKNTHWXQPUIS-CYBMUJFWSA-N 2 0 227.396 1.450 20 0 BDADRP Cc1ccc(O)c(C[NH2+]CCC[C@H]2CCC[NH2+]2)n1 ZINC000414967280 385928214 /nfs/dbraw/zinc/92/82/14/385928214.db2.gz HIGPXKWNNDFFEB-LBPRGKRZSA-N 2 0 249.358 1.717 20 0 BDADRP Nc1cc[nH+]cc1C(=O)NCC1([NH3+])CCCCC1 ZINC000294646408 385878663 /nfs/dbraw/zinc/87/86/63/385878663.db2.gz BPEGKGWVNXOVTL-UHFFFAOYSA-N 2 0 248.330 1.055 20 0 BDADRP Cc1noc([C@@H](C)N2CCC([C@H](C)[NH3+])CC2)n1 ZINC000647832472 385883340 /nfs/dbraw/zinc/88/33/40/385883340.db2.gz KQTXERKGICJQIO-DTWKUNHWSA-N 2 0 238.335 1.498 20 0 BDADRP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000335019578 385978430 /nfs/dbraw/zinc/97/84/30/385978430.db2.gz QQGXLVOFWDMUNC-DGCLKSJQSA-N 2 0 248.374 1.387 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC2(C)CC[NH2+]CC2)CC[N@@H+]1C ZINC000335021091 385980648 /nfs/dbraw/zinc/98/06/48/385980648.db2.gz BCCGSEAGSIWXJC-QWHCGFSZSA-N 3 0 239.407 1.448 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](OC)C2CC2)C1 ZINC000425417308 385992875 /nfs/dbraw/zinc/99/28/75/385992875.db2.gz HKGOQSWKQQNBCI-TZMCWYRMSA-N 2 0 240.391 1.685 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000335040008 385931886 /nfs/dbraw/zinc/93/18/86/385931886.db2.gz NYOKTZXOTSDIQM-ZIAGYGMSSA-N 3 0 239.407 1.578 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CC1(O)CCCCC1 ZINC000335040217 385934610 /nfs/dbraw/zinc/93/46/10/385934610.db2.gz CNDNDVJDCMPHFT-WDEREUQCSA-N 2 0 212.337 1.151 20 0 BDADRP OCC1([NH2+]CCC[NH+]2CCCCC2)CCCC1 ZINC000189121950 385937573 /nfs/dbraw/zinc/93/75/73/385937573.db2.gz FWHFYBGNFGTJAB-UHFFFAOYSA-N 2 0 240.391 1.757 20 0 BDADRP COc1cc(C[NH2+]C[C@H](C)C[NH3+])ccc1C ZINC000414879127 385947763 /nfs/dbraw/zinc/94/77/63/385947763.db2.gz PDHALTFISGORJA-SNVBAGLBSA-N 2 0 222.332 1.688 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@@H](C[NH+](C)C)C1)C1CC1 ZINC000425399847 385948623 /nfs/dbraw/zinc/94/86/23/385948623.db2.gz FDGKFPTYVTURIR-WCQYABFASA-N 2 0 226.364 1.295 20 0 BDADRP Cc1cnn(CC[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)c1 ZINC000304326607 385952352 /nfs/dbraw/zinc/95/23/52/385952352.db2.gz CXXKEOUASYVYRY-VXGBXAGGSA-N 2 0 222.336 1.003 20 0 BDADRP C[C@H]([NH3+])c1ccc(C(=O)N2CC[NH2+][C@@H](C)C2)cc1 ZINC000335058707 385958185 /nfs/dbraw/zinc/95/81/85/385958185.db2.gz JBJFOKMSOPVMBR-QWRGUYRKSA-N 2 0 247.342 1.140 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CC[C@](O)(CC)C1 ZINC000338326536 385959642 /nfs/dbraw/zinc/95/96/42/385959642.db2.gz ZWYKXIJERRAEEA-CYBMUJFWSA-N 2 0 228.380 1.565 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000251240668 385961185 /nfs/dbraw/zinc/96/11/85/385961185.db2.gz ITXSGTHRSHGYMT-FQUUOJAGSA-N 2 0 240.391 1.658 20 0 BDADRP COC[C@H]1CCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000220373039 385965122 /nfs/dbraw/zinc/96/51/22/385965122.db2.gz FFQPPOQSNNTSNE-JTQLQIEISA-N 2 0 200.326 1.082 20 0 BDADRP CC[C@H]([NH3+])CNCc1cc(F)ccc1C ZINC000414974275 386009367 /nfs/dbraw/zinc/00/93/67/386009367.db2.gz DIBCVKRVFBQJPV-LBPRGKRZSA-N 2 0 210.296 1.961 20 0 BDADRP C(CN1CC[NH2+]CC1)[NH2+][C@@H]1CCC[C@H]1C1CC1 ZINC000414882816 386009335 /nfs/dbraw/zinc/00/93/35/386009335.db2.gz MUFJJRJGVNVDKB-UONOGXRCSA-N 2 0 237.391 1.060 20 0 BDADRP C[C@H]([NH2+][C@H]1CN(C)C[C@@H]1C)c1cn[nH]c1 ZINC000336770367 386014526 /nfs/dbraw/zinc/01/45/26/386014526.db2.gz WPGQMBHASSQSOA-QXEWZRGKSA-N 2 0 208.309 1.010 20 0 BDADRP CCCC[C@@H](COC)[NH2+]C[C@@H](C)C[NH3+] ZINC000414882815 386020782 /nfs/dbraw/zinc/02/07/82/386020782.db2.gz UORRVYCWGRXHIY-QWRGUYRKSA-N 2 0 202.342 1.376 20 0 BDADRP Cc1nnsc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000309801534 386027754 /nfs/dbraw/zinc/02/77/54/386027754.db2.gz WOCCOMBDNZPLOU-UHFFFAOYSA-N 2 0 240.376 1.278 20 0 BDADRP C[C@H]1CC[NH2+]C[C@@H]1NCC1([NH3+])CCCCCC1 ZINC000335061915 386029437 /nfs/dbraw/zinc/02/94/37/386029437.db2.gz ZLEQOIOTNAZYFG-STQMWFEESA-N 2 0 239.407 1.626 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000414883523 386031882 /nfs/dbraw/zinc/03/18/82/386031882.db2.gz VGHGIDKFBGBGRT-LBPRGKRZSA-N 2 0 248.374 1.366 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000414883522 386032217 /nfs/dbraw/zinc/03/22/17/386032217.db2.gz VGHGIDKFBGBGRT-GFCCVEGCSA-N 2 0 248.374 1.366 20 0 BDADRP CCN1C[C@H](C)[C@H]([NH2+]C[C@@H]2C[C@@H](C)O[C@@H]2C)C1 ZINC000414251477 386057112 /nfs/dbraw/zinc/05/71/12/386057112.db2.gz ACMGCYDTSLWGNA-MQLXINIDSA-N 2 0 240.391 1.730 20 0 BDADRP CC(C)C[C@H](C)C[NH2+]CCN1CC[NH2+]CC1 ZINC000414884435 386041465 /nfs/dbraw/zinc/04/14/65/386041465.db2.gz OHDPPNZDAWFSDP-ZDUSSCGKSA-N 2 0 227.396 1.163 20 0 BDADRP CO[C@@H](C)C[NH2+]C1CCN(c2ccccn2)CC1 ZINC000223888312 386107257 /nfs/dbraw/zinc/10/72/57/386107257.db2.gz RKAKXQBUBWQLCX-LBPRGKRZSA-N 2 0 249.358 1.675 20 0 BDADRP C[NH2+]CC1CCN(C[C@H]([NH3+])CC(C)C)CC1 ZINC000414663668 386111180 /nfs/dbraw/zinc/11/11/80/386111180.db2.gz BQIGHBNQAIERCT-CYBMUJFWSA-N 2 0 227.396 1.291 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+](CC(C)(C)O)C1CC1 ZINC000189889580 386114920 /nfs/dbraw/zinc/11/49/20/386114920.db2.gz YIVWIDYWCOJAGT-LBPRGKRZSA-N 2 0 240.391 1.706 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@H](C)Cc1cccc(OC)n1 ZINC000414981009 386058528 /nfs/dbraw/zinc/05/85/28/386058528.db2.gz BCVTZORKSKMZOH-GHMZBOCLSA-N 2 0 237.347 1.348 20 0 BDADRP Cc1cccc(OCC[N@@H+](C)C[C@H]2CC[NH2+]C2)c1 ZINC000647873423 386121920 /nfs/dbraw/zinc/12/19/20/386121920.db2.gz HSMRWAGDYLPBKI-AWEZNQCLSA-N 2 0 248.370 1.915 20 0 BDADRP COCC[C@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000414209258 386062483 /nfs/dbraw/zinc/06/24/83/386062483.db2.gz SJFDNYQYLJWHRS-IGQOVBAYSA-N 2 0 242.407 1.977 20 0 BDADRP CC(C)C[C@H]([NH3+])CN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000414652637 386074766 /nfs/dbraw/zinc/07/47/66/386074766.db2.gz DPMOHGRPLCJGSO-AAEUAGOBSA-N 2 0 225.380 1.186 20 0 BDADRP CSC1(C[NH2+][C@H](C)CCC[NH3+])CC1 ZINC000336642496 386080507 /nfs/dbraw/zinc/08/05/07/386080507.db2.gz AOXNNMKPEHVOLE-SECBINFHSA-N 2 0 202.367 1.599 20 0 BDADRP Cc1ccn2c(C[NH2+]C[C@@H](C)C[NH3+])cnc2c1 ZINC000414887194 386089505 /nfs/dbraw/zinc/08/95/05/386089505.db2.gz ZBKGCXIMAVCUST-NSHDSACASA-N 2 0 232.331 1.327 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN(C)CC[C@@H]([NH3+])C(C)C ZINC000414660122 386091493 /nfs/dbraw/zinc/09/14/93/386091493.db2.gz MGKNRFPSJYGNLX-CHWSQXEVSA-N 2 0 229.412 1.665 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)[C@@H](C)O1 ZINC000414282469 386093255 /nfs/dbraw/zinc/09/32/55/386093255.db2.gz NXBJNCIQQDFOKC-RYMFRWLXSA-N 2 0 240.391 1.730 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)[C@H](C)O1 ZINC000414282467 386093940 /nfs/dbraw/zinc/09/39/40/386093940.db2.gz NXBJNCIQQDFOKC-RKQHYHRCSA-N 2 0 240.391 1.730 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414674934 386144394 /nfs/dbraw/zinc/14/43/94/386144394.db2.gz QEOMMTFJXBHUJS-UPJWGTAASA-N 3 0 239.407 1.434 20 0 BDADRP C[C@H](CC[NH3+])[NH2+]Cc1ccc2c(c1)ncn2C ZINC000414892832 386149830 /nfs/dbraw/zinc/14/98/30/386149830.db2.gz JPAFPCYHANSMIE-SNVBAGLBSA-N 2 0 232.331 1.400 20 0 BDADRP C[C@]1(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]C1 ZINC000414991929 386152089 /nfs/dbraw/zinc/15/20/89/386152089.db2.gz BHUXBEIBBZRXDK-UPJWGTAASA-N 3 0 225.380 1.093 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC[C@@H]3CCCO3)C[C@@H]21 ZINC000130951267 386190064 /nfs/dbraw/zinc/19/00/64/386190064.db2.gz ODVDMYXIPXTOQR-ZOBORPQBSA-N 2 0 238.375 1.615 20 0 BDADRP CC(C)[N@H+](CCO)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414677743 386156338 /nfs/dbraw/zinc/15/63/38/386156338.db2.gz JMKGCMONHNYVCE-VXGBXAGGSA-N 2 0 214.353 1.077 20 0 BDADRP CC[C@@H](C(=O)N[C@H](C)C[NH+](C)C)[NH+](CC)CC ZINC000346168576 386173591 /nfs/dbraw/zinc/17/35/91/386173591.db2.gz UARYRCQCCIBUIT-NEPJUHHUSA-N 2 0 243.395 1.173 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)CC[NH2+]1 ZINC000414998165 386202262 /nfs/dbraw/zinc/20/22/62/386202262.db2.gz HZVDDDQBATYLPF-RQJABVFESA-N 3 0 239.407 1.482 20 0 BDADRP COCc1cccc(CN2CCC[C@H]2C[NH3+])c1 ZINC000131354639 386203585 /nfs/dbraw/zinc/20/35/85/386203585.db2.gz ROBDZBYALSUGTJ-AWEZNQCLSA-N 2 0 234.343 1.756 20 0 BDADRP CCOC[C@@H]1CC[N@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000414699781 386204108 /nfs/dbraw/zinc/20/41/08/386204108.db2.gz FONVKUSYBKVNBU-CHWSQXEVSA-N 2 0 228.380 1.718 20 0 BDADRP CC(C)C[C@H]([NH3+])CN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000414700306 386205353 /nfs/dbraw/zinc/20/53/53/386205353.db2.gz JMGKEJKKPCCIIB-KBPBESRZSA-N 2 0 241.423 1.633 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C[C@@H](C)O1 ZINC000414699417 386205518 /nfs/dbraw/zinc/20/55/18/386205518.db2.gz YOGDCOJRSNNUPN-AAVRWANBSA-N 2 0 240.391 1.874 20 0 BDADRP [NH3+][C@@H]1C[C@H](NCCn2ccnc2)c2ccccc21 ZINC000132045178 386218986 /nfs/dbraw/zinc/21/89/86/386218986.db2.gz RXJQXGXXNHKQFH-KGLIPLIRSA-N 3 0 242.326 1.618 20 0 BDADRP CCC(CC)(CO)[NH2+]C[C@H]([NH3+])CC(C)C ZINC000414706956 386221479 /nfs/dbraw/zinc/22/14/79/386221479.db2.gz LWDKCJOUMMFUAP-LLVKDONJSA-N 2 0 216.369 1.501 20 0 BDADRP CC[C@](C)(CCO)[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414708925 386222080 /nfs/dbraw/zinc/22/20/80/386222080.db2.gz OFWJWGTUJJWOBZ-JHJVBQTASA-N 2 0 228.380 1.515 20 0 BDADRP CCS[C@@H]1CC[C@H]([N@H+](C)CCC[NH3+])C1 ZINC000414712646 386229762 /nfs/dbraw/zinc/22/97/62/386229762.db2.gz UXCMPICJZYUFFE-WDEREUQCSA-N 2 0 216.394 1.941 20 0 BDADRP Cc1cnccc1CC[NH2+][C@H]1CN(C)C[C@H]1C ZINC000339059596 386230258 /nfs/dbraw/zinc/23/02/58/386230258.db2.gz VRSFFHOKODCJQD-OCCSQVGLSA-N 2 0 233.359 1.472 20 0 BDADRP CCC1(C[N@@H+]2CCC[C@H](C[NH3+])C2)CCOCC1 ZINC000347112649 386232005 /nfs/dbraw/zinc/23/20/05/386232005.db2.gz RFYSPIMRVSRLMI-CYBMUJFWSA-N 2 0 240.391 1.864 20 0 BDADRP C[C@@H](O)C(C)(C)[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414714399 386233080 /nfs/dbraw/zinc/23/30/80/386233080.db2.gz VMUBWJSMTBWWEX-MXWKQRLJSA-N 2 0 214.353 1.124 20 0 BDADRP C[N@H+](CCC[NH3+])[C@H]1CCCN(c2ccccc2)C1 ZINC000414714492 386233332 /nfs/dbraw/zinc/23/33/32/386233332.db2.gz VTTFUQHIAZINMQ-HNNXBMFYSA-N 2 0 247.386 1.936 20 0 BDADRP C[C@H](O)C(C)(C)[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414714401 386233592 /nfs/dbraw/zinc/23/35/92/386233592.db2.gz VMUBWJSMTBWWEX-OUAUKWLOSA-N 2 0 214.353 1.124 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCCCN1C[C@H]1CCC[NH2+]C1 ZINC000347116825 386234304 /nfs/dbraw/zinc/23/43/04/386234304.db2.gz WMGJWOFIUOHSFC-RWMBFGLXSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+]CC2(C)CC[NH2+]CC2)CC[NH2+]1 ZINC000414898548 386235732 /nfs/dbraw/zinc/23/57/32/386235732.db2.gz GFXMMBIKUHTOER-CHWSQXEVSA-N 3 0 239.407 1.354 20 0 BDADRP Oc1ccc2c(c1)CC[N@@H+](C[C@H]1CC[NH2+]C1)CC2 ZINC000647883001 386241531 /nfs/dbraw/zinc/24/15/31/386241531.db2.gz YUVKUIKTSXDWFE-LBPRGKRZSA-N 2 0 246.354 1.402 20 0 BDADRP CC(C)Cn1cc(C[NH2+]CCCC[NH3+])cn1 ZINC000414899328 386245697 /nfs/dbraw/zinc/24/56/97/386245697.db2.gz FKUYDRZLMRGPGP-UHFFFAOYSA-N 2 0 224.352 1.368 20 0 BDADRP Cc1ccncc1C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415002817 386248148 /nfs/dbraw/zinc/24/81/48/386248148.db2.gz MMOVOKVKSONJHD-TZMCWYRMSA-N 2 0 233.359 1.997 20 0 BDADRP CCC[C@](C)(CO)[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414696248 386196061 /nfs/dbraw/zinc/19/60/61/386196061.db2.gz BJORURJIBNTUET-RWMBFGLXSA-N 2 0 228.380 1.515 20 0 BDADRP CC(C)C[C@H]([NH3+])CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000414696384 386196114 /nfs/dbraw/zinc/19/61/14/386196114.db2.gz HKQVSHASELNUAL-HZSPNIEDSA-N 2 0 241.423 1.774 20 0 BDADRP C[C@@H](CC[NH3+])[NH2+]C1Cc2ccccc2C1 ZINC000414900702 386285904 /nfs/dbraw/zinc/28/59/04/386285904.db2.gz WLWJFLCNCGFYDM-JTQLQIEISA-N 2 0 204.317 1.481 20 0 BDADRP C[N@H+](CCCCCO)CC[C@H]1CCC[NH+]1C ZINC000336667782 386295620 /nfs/dbraw/zinc/29/56/20/386295620.db2.gz OSRZZQDZZUBGSE-CYBMUJFWSA-N 2 0 228.380 1.565 20 0 BDADRP CC(C)C[C@@H](N)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000414733636 386295854 /nfs/dbraw/zinc/29/58/54/386295854.db2.gz JUYJYXRDJFQVOH-CHWSQXEVSA-N 2 0 227.396 1.421 20 0 BDADRP CC(C)C[C@H](N)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000414733642 386296259 /nfs/dbraw/zinc/29/62/59/386296259.db2.gz JUYJYXRDJFQVOH-STQMWFEESA-N 2 0 227.396 1.421 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414901567 386306685 /nfs/dbraw/zinc/30/66/85/386306685.db2.gz GEMXWHOYWSOVIQ-RDBSUJKOSA-N 2 0 239.407 1.496 20 0 BDADRP C[C@@H]1COCC[N@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414739816 386312479 /nfs/dbraw/zinc/31/24/79/386312479.db2.gz KMWGHAQLRWSNJM-QJPTWQEYSA-N 2 0 212.337 1.095 20 0 BDADRP C[C@@H]1COCC[N@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414739819 386313894 /nfs/dbraw/zinc/31/38/94/386313894.db2.gz KMWGHAQLRWSNJM-TUAOUCFPSA-N 2 0 212.337 1.095 20 0 BDADRP C[C@@H]1C[C@@H](C[N@H+](C)CC2(CO)CC2)CC[NH2+]1 ZINC000414739218 386320747 /nfs/dbraw/zinc/32/07/47/386320747.db2.gz KDBUXVZEQOJIQB-NEPJUHHUSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)CN1CC[NH2+]C(C)(C)C ZINC000414739144 386321525 /nfs/dbraw/zinc/32/15/25/386321525.db2.gz JYBMTERMIWWGRV-NWDGAFQWSA-N 2 0 227.396 1.399 20 0 BDADRP Cn1cncc1CC[N@H+](C)CCCn1ccnc1 ZINC000289523076 386322695 /nfs/dbraw/zinc/32/26/95/386322695.db2.gz GCTRAKCHEJLICD-UHFFFAOYSA-N 3 0 247.346 1.181 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@H](C)N(C)C[C@@H]2C)CC[NH2+]1 ZINC000414740957 386322886 /nfs/dbraw/zinc/32/28/86/386322886.db2.gz LYJQWQGZZFUPOG-ZOBORPQBSA-N 2 0 239.407 1.399 20 0 BDADRP Cc1nccn1CCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428039476 386269433 /nfs/dbraw/zinc/26/94/33/386269433.db2.gz FGLYGPVADCYIQD-UONOGXRCSA-N 2 0 248.374 1.265 20 0 BDADRP CC[N@H+](C)[C@H](C(=O)NCC[NH2+]C)c1ccccc1 ZINC000236887764 386324070 /nfs/dbraw/zinc/32/40/70/386324070.db2.gz XGSFDANIMPWQJO-ZDUSSCGKSA-N 2 0 249.358 1.015 20 0 BDADRP C([C@H]1CC[NH2+]C1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000647987697 386278233 /nfs/dbraw/zinc/27/82/33/386278233.db2.gz RVMXJXQHFGEHHU-GXTWGEPZSA-N 3 0 237.391 1.060 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000414744858 386340018 /nfs/dbraw/zinc/34/00/18/386340018.db2.gz QHKWDNZGWMOVIU-ZIAGYGMSSA-N 2 0 241.423 1.632 20 0 BDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C1([NH3+])CC1 ZINC000237050361 386347496 /nfs/dbraw/zinc/34/74/96/386347496.db2.gz AVBJGPFPITWBQD-UHFFFAOYSA-N 2 0 247.342 1.486 20 0 BDADRP Cc1n[nH]c(C)c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000335269151 386351263 /nfs/dbraw/zinc/35/12/63/386351263.db2.gz KJJZMIGXDMUTGQ-BETUJISGSA-N 2 0 248.374 1.458 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@H](CO)C(C)(C)C)CC[NH2+]1 ZINC000414747153 386352711 /nfs/dbraw/zinc/35/27/11/386352711.db2.gz SYZSMQSSAWJPFO-IJLUTSLNSA-N 2 0 228.380 1.371 20 0 BDADRP COC[C@H](CC(C)C)[NH2+]CCCC[NH3+] ZINC000414905808 386361959 /nfs/dbraw/zinc/36/19/59/386361959.db2.gz OKUKSXGWDSBUSI-NSHDSACASA-N 2 0 202.342 1.376 20 0 BDADRP CO[C@]1(C)C[C@H]([N@H+](C)C[C@@H]2CC[NH2+]C2)C1(C)C ZINC000647890705 386380647 /nfs/dbraw/zinc/38/06/47/386380647.db2.gz HVSCLYQPKLDMRQ-MBNYWOFBSA-N 2 0 240.391 1.731 20 0 BDADRP CC(C)COCC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000336697443 386381940 /nfs/dbraw/zinc/38/19/40/386381940.db2.gz SSWRIFNTCPBFLE-CQSZACIVSA-N 2 0 242.407 1.933 20 0 BDADRP CC[C@H]([NH3+])C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000236950523 386330786 /nfs/dbraw/zinc/33/07/86/386330786.db2.gz XPDSGIMVIVUTEM-LBPRGKRZSA-N 2 0 249.358 1.732 20 0 BDADRP C[C@H](CC[NH3+])[NH2+]C[C@@H](C)CC1CCOCC1 ZINC000414902982 386335210 /nfs/dbraw/zinc/33/52/10/386335210.db2.gz ZCPFBVKFSNVCKN-NWDGAFQWSA-N 2 0 228.380 1.766 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+](CCO)C2CCC2)CC[NH2+]1 ZINC000414744097 386338109 /nfs/dbraw/zinc/33/81/09/386338109.db2.gz HUMQKHLKXXMORA-VXGBXAGGSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](C[C@H]2CCCOC2)C[C@H]1C[NH3+] ZINC000397312741 386437120 /nfs/dbraw/zinc/43/71/20/386437120.db2.gz PKKOKHACEFXEJF-XJFOESAGSA-N 2 0 240.391 1.718 20 0 BDADRP C[C@H](CC1CCOCC1)C[N@@H+]1CC[C@H]([NH3+])[C@H]1C ZINC000414767185 386440843 /nfs/dbraw/zinc/44/08/43/386440843.db2.gz IPCQQBHSMYRYRP-BZPMIXESSA-N 2 0 240.391 1.861 20 0 BDADRP Cc1nc(C[NH2+]CC2CC[NH+](C)CC2)[nH]c1C ZINC000519426068 386443638 /nfs/dbraw/zinc/44/36/38/386443638.db2.gz DBMAXWHUGWNLSU-UHFFFAOYSA-N 2 0 236.363 1.458 20 0 BDADRP COc1ccncc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000311226173 386444140 /nfs/dbraw/zinc/44/41/40/386444140.db2.gz XHPZWKLNOCCECL-UHFFFAOYSA-N 2 0 249.358 1.651 20 0 BDADRP C[NH+](C)CC1CC[NH+](CCOCC2CC2)CC1 ZINC000336718881 386447475 /nfs/dbraw/zinc/44/74/75/386447475.db2.gz XLFYZICXOOGZFI-UHFFFAOYSA-N 2 0 240.391 1.687 20 0 BDADRP C[N@H+](CC[C@H]1CCCC[NH+]1C)CC1(C)COC1 ZINC000336700024 386387796 /nfs/dbraw/zinc/38/77/96/386387796.db2.gz KXMIBHBGZFXXHF-CYBMUJFWSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@H]1C[C@@H](C[N@H+]2C[C@H]3CCC[C@@H](C2)N3)CC[NH2+]1 ZINC000414754826 386394562 /nfs/dbraw/zinc/39/45/62/386394562.db2.gz SJGRTVBYHXQYCL-XDQVBPFNSA-N 2 0 237.391 1.201 20 0 BDADRP CC(C)C[C@@H]([NH3+])c1noc(CCn2ccnc2)n1 ZINC000339387800 386398175 /nfs/dbraw/zinc/39/81/75/386398175.db2.gz PWNQGXSGLIONBT-SNVBAGLBSA-N 2 0 249.318 1.555 20 0 BDADRP CCCC[C@@H](COC)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414909625 386410579 /nfs/dbraw/zinc/41/05/79/386410579.db2.gz TWNVBXLYFNFGJO-OLZOCXBDSA-N 2 0 228.380 1.923 20 0 BDADRP C[C@@H](O)CCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339427790 386420554 /nfs/dbraw/zinc/42/05/54/386420554.db2.gz BOZFJUJYPPSTQH-KGLIPLIRSA-N 2 0 240.391 1.565 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@H](C)O[C@H](C)[C@H]2C)CC[NH2+]1 ZINC000414761947 386422428 /nfs/dbraw/zinc/42/24/28/386422428.db2.gz VCJJASVTVYFENC-XVIXHAIJSA-N 2 0 240.391 1.872 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)[C@H](C)C1 ZINC000415042489 386529090 /nfs/dbraw/zinc/52/90/90/386529090.db2.gz QORNCTGESNTGEX-MQYQWHSLSA-N 2 0 240.391 1.779 20 0 BDADRP [NH3+]CCN(CCc1ccccc1)CC1(C[NH3+])CC1 ZINC000414781425 386501063 /nfs/dbraw/zinc/50/10/63/386501063.db2.gz HXKFZSMIXYDIEM-UHFFFAOYSA-N 2 0 247.386 1.229 20 0 BDADRP C[C@H]([NH2+]CCOCC[NH+](C)C)[C@@]1(C)CCCO1 ZINC000340366523 386504293 /nfs/dbraw/zinc/50/42/93/386504293.db2.gz PJPPKTBEBSSSSA-QWHCGFSZSA-N 2 0 244.379 1.112 20 0 BDADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]CC[C@@H]2CCOC2)CC1 ZINC000415020041 386508583 /nfs/dbraw/zinc/50/85/83/386508583.db2.gz FYWLCIDFTNASQF-MGPQQGTHSA-N 2 0 240.391 1.768 20 0 BDADRP C([C@H]1CC[NH2+]C1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899189 386509191 /nfs/dbraw/zinc/50/91/91/386509191.db2.gz CGSUNCAMWPRBDG-IHRRRGAJSA-N 2 0 237.391 1.060 20 0 BDADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cccnc2)CC1 ZINC000415021138 386511965 /nfs/dbraw/zinc/51/19/65/386511965.db2.gz HKRHIZUHVMUIFJ-JOCQHMNTSA-N 2 0 233.359 1.936 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]Cc1cccc2c[nH]nc21 ZINC000415025353 386513367 /nfs/dbraw/zinc/51/33/67/386513367.db2.gz QRIYBIXGYPEPRR-SNVBAGLBSA-N 2 0 232.331 1.780 20 0 BDADRP C[C@H]1OCC[C@@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415026004 386513494 /nfs/dbraw/zinc/51/34/94/386513494.db2.gz ROAILEXKEUZSQL-LPWJVIDDSA-N 2 0 226.364 1.519 20 0 BDADRP Cc1c[nH]nc1CN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000335447204 386514382 /nfs/dbraw/zinc/51/43/82/386514382.db2.gz ABZQENZPWNNTMM-QWRGUYRKSA-N 2 0 222.336 1.277 20 0 BDADRP Cc1[nH]nc2ncc(C[NH2+][C@@H](C)CCC[NH3+])cc12 ZINC000415027994 386516212 /nfs/dbraw/zinc/51/62/12/386516212.db2.gz XPZPGRONMUUZEI-VIFPVBQESA-N 2 0 247.346 1.483 20 0 BDADRP C[C@@H]1C[C@@H](C[N@H+](C)C2CC[NH2+]CC2)CC[NH2+]1 ZINC000335448072 386516861 /nfs/dbraw/zinc/51/68/61/386516861.db2.gz LRWFAAXFMMVHGU-NEPJUHHUSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415029325 386516809 /nfs/dbraw/zinc/51/68/09/386516809.db2.gz ASGJZXBJDSOONY-GRYCIOLGSA-N 2 0 212.337 1.143 20 0 BDADRP CCCC[C@H](COC)[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415027602 386517144 /nfs/dbraw/zinc/51/71/44/386517144.db2.gz BFYZOBXXCQIUCQ-JHJVBQTASA-N 2 0 228.380 1.909 20 0 BDADRP CC(C)C[C@H](C)C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415030196 386519252 /nfs/dbraw/zinc/51/92/52/386519252.db2.gz CFOKNZQYXQERHU-STQMWFEESA-N 2 0 228.380 1.637 20 0 BDADRP C[C@@H](CCc1ccccc1)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415032045 386519824 /nfs/dbraw/zinc/51/98/24/386519824.db2.gz HBWKDWYZBWEQLO-SPWCGHHHSA-N 2 0 230.355 1.815 20 0 BDADRP CCOC[C@@H](C)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414916247 386521269 /nfs/dbraw/zinc/52/12/69/386521269.db2.gz PGVGAMQKXASLIW-VXGBXAGGSA-N 2 0 214.353 1.391 20 0 BDADRP Cc1ccncc1C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415034172 386521643 /nfs/dbraw/zinc/52/16/43/386521643.db2.gz JOVJWJRIWRQLNG-DGCLKSJQSA-N 2 0 219.332 1.607 20 0 BDADRP C[C@@H]1CCC[C@@H](C[NH2+]C[C@@H]2C[NH2+]CCCO2)C1 ZINC000415036433 386525145 /nfs/dbraw/zinc/52/51/45/386525145.db2.gz JVRYZQGCTSUVOO-MCIONIFRSA-N 2 0 240.391 1.781 20 0 BDADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cc(O)cc(F)c2)C1 ZINC000415041995 386526002 /nfs/dbraw/zinc/52/60/02/386526002.db2.gz QJCICMZAPHHGPS-JOYOIKCWSA-N 2 0 238.306 1.748 20 0 BDADRP C1CC([C@H]2CC[C@H]2[NH2+]C2CC[NH2+]CC2)C1 ZINC000335452324 386526260 /nfs/dbraw/zinc/52/62/60/386526260.db2.gz OIMYWUVDHXPNIV-CHWSQXEVSA-N 2 0 208.349 1.907 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C1 ZINC000415042068 386526968 /nfs/dbraw/zinc/52/69/68/386526968.db2.gz QEADATFQGKNCQU-IJLUTSLNSA-N 2 0 212.337 1.143 20 0 BDADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cccc3c2NCC3)C1 ZINC000415040732 386527538 /nfs/dbraw/zinc/52/75/38/386527538.db2.gz PHFUQIHCDLAVCM-RISCZKNCSA-N 2 0 245.370 1.872 20 0 BDADRP C[C@H]1CCN(Cc2cnc(N)s2)[C@H](C[NH3+])C1 ZINC000414770662 386453927 /nfs/dbraw/zinc/45/39/27/386453927.db2.gz PIRMJAWHZLLPMA-IUCAKERBSA-N 2 0 240.376 1.115 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000094439573 386453915 /nfs/dbraw/zinc/45/39/15/386453915.db2.gz AGZNLTBKAXDPRZ-AWEZNQCLSA-N 2 0 237.391 1.156 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[C@H]2O)CC[N@@H+]1C ZINC000453348622 386459000 /nfs/dbraw/zinc/45/90/00/386459000.db2.gz FVDNQNUPZUIZCM-ZOBORPQBSA-N 2 0 240.391 1.610 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977610 386577027 /nfs/dbraw/zinc/57/70/27/386577027.db2.gz FEVXJIIRLGZDJT-KGLIPLIRSA-N 3 0 239.407 1.308 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CCCC[C@@H]1CC[NH3+] ZINC000414800222 386582919 /nfs/dbraw/zinc/58/29/19/386582919.db2.gz YXYHOQPDTPPVEA-QWHCGFSZSA-N 2 0 227.396 1.563 20 0 BDADRP CCC(CC)[C@@H](O)C[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC000415082387 386598570 /nfs/dbraw/zinc/59/85/70/386598570.db2.gz LQUIJKVEAKRJTD-STQMWFEESA-N 2 0 228.380 1.373 20 0 BDADRP CC[C@@H](Cc1ccccc1)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415046038 386530918 /nfs/dbraw/zinc/53/09/18/386530918.db2.gz WQNLPSKLDWUYSD-BYNSBNAKSA-N 2 0 230.355 1.815 20 0 BDADRP COCC(C)(C)C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414917288 386530926 /nfs/dbraw/zinc/53/09/26/386530926.db2.gz RDYIQROEDWYCFQ-CYBMUJFWSA-N 2 0 228.380 1.638 20 0 BDADRP CCCC[C@@H](COC)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415045156 386531091 /nfs/dbraw/zinc/53/10/91/386531091.db2.gz SPTJHFXFGLEKMW-QWHCGFSZSA-N 2 0 244.379 1.160 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)CCO1 ZINC000415045543 386531255 /nfs/dbraw/zinc/53/12/55/386531255.db2.gz UEYMQKOCHDFLMQ-YIYPIFLZSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@]1(CN2CC[NH+](CC3CC3)CC2)CC[NH2+]C1 ZINC000062911730 386531451 /nfs/dbraw/zinc/53/14/51/386531451.db2.gz WUVVEIQQPITVNI-CQSZACIVSA-N 2 0 237.391 1.014 20 0 BDADRP CC[C@@H](C)C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415046716 386532374 /nfs/dbraw/zinc/53/23/74/386532374.db2.gz VDMKCLACQHLWLC-GHMZBOCLSA-N 2 0 200.326 1.001 20 0 BDADRP c1ccc(OCCCC[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415048548 386534972 /nfs/dbraw/zinc/53/49/72/386534972.db2.gz ZNYXZXHPCXFFKJ-FICVDOATSA-N 2 0 246.354 1.653 20 0 BDADRP C[C@H]1CC([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@H](C)C1 ZINC000415046954 386535230 /nfs/dbraw/zinc/53/52/30/386535230.db2.gz YCJBRTPCEQSUQS-RPLXWKFWSA-N 2 0 208.349 1.619 20 0 BDADRP CCn1nccc1CN[C@H](C[NH3+])C(C)(C)C ZINC000415055580 386539163 /nfs/dbraw/zinc/53/91/63/386539163.db2.gz OKFFXWZWFKTTBQ-LLVKDONJSA-N 2 0 224.352 1.366 20 0 BDADRP C[C@@H]1CCC[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H]1C ZINC000415061948 386541389 /nfs/dbraw/zinc/54/13/89/386541389.db2.gz LUAPEEWCPHQXMW-PDWLFKFUSA-N 2 0 208.349 1.619 20 0 BDADRP NC[C@@H]([NH2+]CC1CC[NH2+]CC1)C1CCCC1 ZINC000415064992 386546835 /nfs/dbraw/zinc/54/68/35/386546835.db2.gz LXKKWEJYYOIKEX-CYBMUJFWSA-N 2 0 225.380 1.093 20 0 BDADRP C[N@H+](C[C@H](O)C[NH3+])CC1CCCCCC1 ZINC000415066447 386547299 /nfs/dbraw/zinc/54/72/99/386547299.db2.gz IQBHJFKERLWVQG-GFCCVEGCSA-N 2 0 214.353 1.208 20 0 BDADRP C[N@@H+](Cc1ccc(C2CC2)cc1)C[C@H](O)C[NH3+] ZINC000415069275 386550788 /nfs/dbraw/zinc/55/07/88/386550788.db2.gz OSJWXFQOSWCMEN-CQSZACIVSA-N 2 0 234.343 1.315 20 0 BDADRP [NH3+]C[C@@H](NC[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000415068169 386552450 /nfs/dbraw/zinc/55/24/50/386552450.db2.gz QJFZOWQHACVOMP-DGCLKSJQSA-N 3 0 225.380 1.093 20 0 BDADRP C[C@@H]1CN(CC[NH2+]C(C)(C)C)C[C@@]1(C)C[NH3+] ZINC000415053076 386554130 /nfs/dbraw/zinc/55/41/30/386554130.db2.gz JOEDDACXAKIJNQ-DGCLKSJQSA-N 2 0 227.396 1.291 20 0 BDADRP [NH3+]C[C@@H]1c2ccccc2CCN1C[C@@H]1CC[NH2+]C1 ZINC000647995784 386559344 /nfs/dbraw/zinc/55/93/44/386559344.db2.gz GFSFBTOVBKURQZ-IUODEOHRSA-N 2 0 245.370 1.154 20 0 BDADRP C[C@@H]1CCCC[C@@H]1C[N@H+](C)C[C@H](O)C[NH3+] ZINC000415072055 386562496 /nfs/dbraw/zinc/56/24/96/386562496.db2.gz VFXHSUYHKDJVSS-IJLUTSLNSA-N 2 0 214.353 1.064 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+][C@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC000415073544 386564778 /nfs/dbraw/zinc/56/47/78/386564778.db2.gz NPQCICIGZDHHSX-AGIUHOORSA-N 3 0 225.380 1.106 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCCC[C@@H]2CC[NH3+])CC[NH2+]1 ZINC000414794987 386570440 /nfs/dbraw/zinc/57/04/40/386570440.db2.gz UMRXENSFHNMGSD-HZSPNIEDSA-N 3 0 239.407 1.578 20 0 BDADRP C[C@@]1(C[NH2+]C2CCC(C[NH3+])CC2)CCCO1 ZINC000415113806 386620188 /nfs/dbraw/zinc/62/01/88/386620188.db2.gz SPXVWBKZLIRVJE-BPCQOVAHSA-N 2 0 226.364 1.663 20 0 BDADRP C([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CCC[NH2+]C1 ZINC000415103710 386624298 /nfs/dbraw/zinc/62/42/98/386624298.db2.gz CWLSWCRAZPMCMP-FVCCEPFGSA-N 2 0 208.349 1.764 20 0 BDADRP C[C@H](CO)[N@H+](CC1CCC1)CC1CC[NH2+]CC1 ZINC000415104765 386624474 /nfs/dbraw/zinc/62/44/74/386624474.db2.gz LNSWLANWAOUYCM-GFCCVEGCSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@@H]1CCN(CC[NH2+]C(C)(C)C)C[C@H]1C[NH3+] ZINC000415123696 386628009 /nfs/dbraw/zinc/62/80/09/386628009.db2.gz JNICLFZBRFNGNZ-VXGBXAGGSA-N 2 0 227.396 1.291 20 0 BDADRP Cc1nn(C)cc1[C@@H](C)NC[C@H]([NH3+])CC(C)C ZINC000415106161 386628932 /nfs/dbraw/zinc/62/89/32/386628932.db2.gz MRXLRLYRGNZNOV-ZYHUDNBSSA-N 2 0 238.379 1.753 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000415136228 386632959 /nfs/dbraw/zinc/63/29/59/386632959.db2.gz CLBDUKNCVVPAEB-FDYHWXHSSA-N 2 0 225.380 1.247 20 0 BDADRP COc1cccc(C[C@H](C)[NH2+]CC(C)(C)[NH3+])n1 ZINC000414810951 386634162 /nfs/dbraw/zinc/63/41/62/386634162.db2.gz YOFCDWQYIDQSBR-JTQLQIEISA-N 2 0 237.347 1.348 20 0 BDADRP CC(C)(C)[NH2+]CCN1C[C@@H]([NH3+])Cc2ccccc21 ZINC000415142863 386639863 /nfs/dbraw/zinc/63/98/63/386639863.db2.gz ZWLBDEOAGGXSCW-ZDUSSCGKSA-N 2 0 247.386 1.765 20 0 BDADRP C[NH2+]CCCN(C)Cc1cccc2c1NCC2 ZINC000415140711 386640268 /nfs/dbraw/zinc/64/02/68/386640268.db2.gz ZFZHHXOAJODMLK-UHFFFAOYSA-N 2 0 233.359 1.696 20 0 BDADRP C[NH2+]CCCN(C)Cc1sccc1OC ZINC000415139922 386640848 /nfs/dbraw/zinc/64/08/48/386640848.db2.gz XVYCESRVBLBCMY-UHFFFAOYSA-N 2 0 228.361 1.798 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CN(C)C[C@@H]1C)CC(C)C ZINC000417369576 386644531 /nfs/dbraw/zinc/64/45/31/386644531.db2.gz PLTQERSOMOECAO-RWMBFGLXSA-N 2 0 228.380 1.587 20 0 BDADRP CCCC[C@H](C[NH3+])NC1CC[NH+](CC)CC1 ZINC000414814507 386645032 /nfs/dbraw/zinc/64/50/32/386645032.db2.gz NYFWOEKOFVVTKN-CYBMUJFWSA-N 2 0 227.396 1.578 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000414816395 386645056 /nfs/dbraw/zinc/64/50/56/386645056.db2.gz PSYHABNFTCJIFZ-RWMBFGLXSA-N 2 0 227.396 1.624 20 0 BDADRP CCCC[C@H](C[NH3+])NC[C@@H]1CCC[NH2+]C1 ZINC000414813448 386647151 /nfs/dbraw/zinc/64/71/51/386647151.db2.gz MLZXQAWIAYWXNZ-VXGBXAGGSA-N 2 0 213.369 1.093 20 0 BDADRP C[C@H]([NH3+])c1ccc(C[NH2+]CC2(C[NH3+])CC2)cc1 ZINC000414817227 386652041 /nfs/dbraw/zinc/65/20/41/386652041.db2.gz RSLBBVJRJUQBQS-NSHDSACASA-N 3 0 233.359 1.535 20 0 BDADRP CC[C@@H]([NH2+]C1CCC([NH3+])CC1)[C@@H]1CCCO1 ZINC000415084799 386599508 /nfs/dbraw/zinc/59/95/08/386599508.db2.gz RNWJSJUSEOKYBT-TUUUFIMRSA-N 2 0 226.364 1.804 20 0 BDADRP C1C[C@@H]2[C@@H](CCC[C@H]2[NH2+][C@@H]2CCC[NH2+]CC2)O1 ZINC000415082214 386599814 /nfs/dbraw/zinc/59/98/14/386599814.db2.gz CSLMNUWKIFOOAW-XJFOESAGSA-N 2 0 238.375 1.676 20 0 BDADRP CC(C)([NH3+])C[NH2+]CCn1cnc2ccccc21 ZINC000415085737 386604024 /nfs/dbraw/zinc/60/40/24/386604024.db2.gz QQNKMDGMSWVVIS-UHFFFAOYSA-N 2 0 232.331 1.363 20 0 BDADRP C[NH+](C)C[C@@](C)(O)CNCc1ccc(F)cc1 ZINC000228723058 386604882 /nfs/dbraw/zinc/60/48/82/386604882.db2.gz HYUJDWOSXMCRJR-ZDUSSCGKSA-N 2 0 240.322 1.228 20 0 BDADRP CC1(C)CC[C@H]1[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000335489432 386606643 /nfs/dbraw/zinc/60/66/43/386606643.db2.gz WIFZFTLKGOHFGO-WDEREUQCSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000520230548 386608845 /nfs/dbraw/zinc/60/88/45/386608845.db2.gz TZFZJCAJQLLQSP-VHSXEESVSA-N 2 0 235.331 1.001 20 0 BDADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)C1CCOCC1 ZINC000415093234 386613063 /nfs/dbraw/zinc/61/30/63/386613063.db2.gz UUNIPZKUVZDQST-SGMGOOAPSA-N 2 0 240.391 1.779 20 0 BDADRP CN(CC[NH3+])Cc1ccc2c(c1)CC(C)(C)O2 ZINC000415107136 386615683 /nfs/dbraw/zinc/61/56/83/386615683.db2.gz KIZSBYCJFVQSDR-UHFFFAOYSA-N 2 0 234.343 1.791 20 0 BDADRP [NH3+]C[C@H](NCc1ccc(F)c(F)c1)C1CC1 ZINC000414807345 386618284 /nfs/dbraw/zinc/61/82/84/386618284.db2.gz QXESKMIDWOPMOM-LBPRGKRZSA-N 2 0 226.270 1.792 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)C[NH+](C)C ZINC000425928829 386667963 /nfs/dbraw/zinc/66/79/63/386667963.db2.gz WESTWERXZXOYMY-IHRRRGAJSA-N 2 0 242.407 1.979 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CN(C2CC2)C[C@@H]1C)C(C)C ZINC000352834690 386680839 /nfs/dbraw/zinc/68/08/39/386680839.db2.gz VWOZRISCUUQXPL-FPMFFAJLSA-N 2 0 240.391 1.730 20 0 BDADRP Cc1noc([C@H](C)[N@@H+]2CCC[C@H](CC[NH3+])C2)n1 ZINC000647951272 386657810 /nfs/dbraw/zinc/65/78/10/386657810.db2.gz UXZFFTDJGGDTMG-GXSJLCMTSA-N 2 0 238.335 1.500 20 0 BDADRP Cc1cn[nH]c1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414833021 386709205 /nfs/dbraw/zinc/70/92/05/386709205.db2.gz FVHAYSOKIDQVBF-NSHDSACASA-N 2 0 222.336 1.197 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(NC(C)=O)cc1 ZINC000414830743 386709341 /nfs/dbraw/zinc/70/93/41/386709341.db2.gz CJBAGSOYISFQMH-NSHDSACASA-N 2 0 249.358 1.590 20 0 BDADRP Cc1cn[nH]c1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414833020 386710814 /nfs/dbraw/zinc/71/08/14/386710814.db2.gz FVHAYSOKIDQVBF-LLVKDONJSA-N 2 0 222.336 1.197 20 0 BDADRP Cc1cn[nH]c1C[NH2+]CCC1CC[NH+](C)CC1 ZINC000352838037 386684498 /nfs/dbraw/zinc/68/44/98/386684498.db2.gz DGXKMIUJCUXOJP-UHFFFAOYSA-N 2 0 236.363 1.540 20 0 BDADRP CC[N@H+](C[C@@H]1CCCO1)C[C@H]1CCC[NH2+]C1 ZINC000042471341 386686823 /nfs/dbraw/zinc/68/68/23/386686823.db2.gz LEQPRSXEEDVMLO-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP COc1ccc2c(c1)C[C@@H]([NH2+]CC[C@H](C)[NH3+])CC2 ZINC000414825345 386690212 /nfs/dbraw/zinc/69/02/12/386690212.db2.gz SGMGYWSRDLZBEL-FZMZJTMJSA-N 2 0 248.370 1.879 20 0 BDADRP COC[C@H](CC(C)C)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414827756 386693809 /nfs/dbraw/zinc/69/38/09/386693809.db2.gz HRLWLIHSRPJKQG-OLZOCXBDSA-N 2 0 228.380 1.637 20 0 BDADRP Cc1ncccc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414827968 386696863 /nfs/dbraw/zinc/69/68/63/386696863.db2.gz LKDXXWXYQPEOEU-GFCCVEGCSA-N 2 0 219.332 1.479 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000414831711 386712541 /nfs/dbraw/zinc/71/25/41/386712541.db2.gz DMGOJPVZFJPGCJ-RWMBFGLXSA-N 2 0 228.380 1.635 20 0 BDADRP CC[NH+](CC)CCCN1C[C@@H](F)C[C@H]1C[NH2+]C ZINC000647958726 386702732 /nfs/dbraw/zinc/70/27/32/386702732.db2.gz YLKPFZKQXFAYHE-STQMWFEESA-N 2 0 245.386 1.350 20 0 BDADRP CN(C)c1ccccc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414827263 386704119 /nfs/dbraw/zinc/70/41/19/386704119.db2.gz KFEITNKMLJEPQO-ZDUSSCGKSA-N 2 0 247.386 1.842 20 0 BDADRP COC[C@@H](C)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357051167 386704304 /nfs/dbraw/zinc/70/43/04/386704304.db2.gz MSHWUUDENLJFIS-YPMHNXCESA-N 2 0 226.364 1.343 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+]Cc1c(C)nc2ccccn21 ZINC000414837649 386735760 /nfs/dbraw/zinc/73/57/60/386735760.db2.gz KRELRWYNIAVOHH-NSHDSACASA-N 2 0 246.358 1.588 20 0 BDADRP C[C@]1(CNCC2([NH3+])CCCCC2)CC[NH2+]C1 ZINC000414838542 386738031 /nfs/dbraw/zinc/73/80/31/386738031.db2.gz IHXWTQUCTDAWND-LBPRGKRZSA-N 2 0 225.380 1.237 20 0 BDADRP CC[C@@H]1C[C@@H](C[NH2+]C[C@H](C)C[NH2+]C)CCO1 ZINC000414838682 386738599 /nfs/dbraw/zinc/73/85/99/386738599.db2.gz LKTKBEOUWTZZEJ-FRRDWIJNSA-N 2 0 228.380 1.637 20 0 BDADRP C(C[C@@H]1CC[NH2+]C1)[NH2+][C@H]1CCCSC1 ZINC000414839906 386745317 /nfs/dbraw/zinc/74/53/17/386745317.db2.gz WSVXAEDALXAXPK-QWRGUYRKSA-N 2 0 214.378 1.471 20 0 BDADRP C[C@@H](Cn1cccn1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414842024 386750013 /nfs/dbraw/zinc/75/00/13/386750013.db2.gz OQZUQHCYKAKIJP-QWHCGFSZSA-N 2 0 236.363 1.251 20 0 BDADRP COc1ccsc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414840978 386752569 /nfs/dbraw/zinc/75/25/69/386752569.db2.gz XMQRFKRDVVLYJA-SNVBAGLBSA-N 2 0 240.372 1.846 20 0 BDADRP Cc1n[nH]c(C)c1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414843009 386757432 /nfs/dbraw/zinc/75/74/32/386757432.db2.gz BRRSDKDZJRDXDX-GFCCVEGCSA-N 2 0 236.363 1.506 20 0 BDADRP CCCC[N@H+](CCOC)C[C@]1(C)CC[NH2+]C1 ZINC000340712789 386759844 /nfs/dbraw/zinc/75/98/44/386759844.db2.gz NLYJYQZQUZPHJT-CYBMUJFWSA-N 2 0 228.380 1.735 20 0 BDADRP CCC[NH+]1CCC(N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000414931201 386761211 /nfs/dbraw/zinc/76/12/11/386761211.db2.gz PRXYZYCYJFCJNG-JSGCOSHPSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H](C[NH3+])C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000357229919 386741608 /nfs/dbraw/zinc/74/16/08/386741608.db2.gz WNFBRHXMXPFORA-QWRGUYRKSA-N 2 0 243.395 1.064 20 0 BDADRP C[C@H](C[NH3+])C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000357229917 386742621 /nfs/dbraw/zinc/74/26/21/386742621.db2.gz WNFBRHXMXPFORA-GHMZBOCLSA-N 2 0 243.395 1.064 20 0 BDADRP [NH3+][C@H](CNC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000414838917 386742595 /nfs/dbraw/zinc/74/25/95/386742595.db2.gz VXJGBLQAOSRJBV-TZMCWYRMSA-N 2 0 233.359 1.276 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000192469851 386773370 /nfs/dbraw/zinc/77/33/70/386773370.db2.gz YWMZWJDEXLUWDA-DYEKYZERSA-N 2 0 238.375 1.485 20 0 BDADRP COC[C@@]1(C[NH2+]C2CCSCC2)CCC[NH2+]1 ZINC000414934632 386797691 /nfs/dbraw/zinc/79/76/91/386797691.db2.gz ABUUTCWEQLWHIA-LBPRGKRZSA-N 2 0 244.404 1.240 20 0 BDADRP CO[C@@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000300039377 386801630 /nfs/dbraw/zinc/80/16/30/386801630.db2.gz GTXOWTFNCRTIRZ-VXGBXAGGSA-N 2 0 212.337 1.097 20 0 BDADRP CNC(=O)CCC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000398452088 386824351 /nfs/dbraw/zinc/82/43/51/386824351.db2.gz OIGPFFVLKUGHES-STQMWFEESA-N 2 0 247.342 1.247 20 0 BDADRP Cc1ccc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c(C)n1 ZINC000334785334 386844663 /nfs/dbraw/zinc/84/46/63/386844663.db2.gz ODFCHBGKCPPZHP-WCQYABFASA-N 2 0 233.359 1.868 20 0 BDADRP Cc1ncccc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000334845199 386891697 /nfs/dbraw/zinc/89/16/97/386891697.db2.gz JOFPFTFREVLZSF-STQMWFEESA-N 2 0 219.332 1.750 20 0 BDADRP C[C@H]1C[N@H+](Cc2cccc(N)c2)CC[C@@H]1[NH3+] ZINC000335747854 386871701 /nfs/dbraw/zinc/87/17/01/386871701.db2.gz VSULNPLIEPXWJD-GWCFXTLKSA-N 2 0 219.332 1.438 20 0 BDADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000331604045 386873857 /nfs/dbraw/zinc/87/38/57/386873857.db2.gz OJRNEHATODVNRW-BVIHXZOGSA-N 3 0 245.370 1.848 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[C@H]2O)c2ccccc21 ZINC000331727333 386885286 /nfs/dbraw/zinc/88/52/86/386885286.db2.gz NZWFOZASLSXFEW-CJYSPXJISA-N 2 0 246.354 1.882 20 0 BDADRP COc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414940989 386888775 /nfs/dbraw/zinc/88/87/75/386888775.db2.gz CFTXKPQBRMGGDN-YPMHNXCESA-N 2 0 234.343 1.925 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000331870890 386919239 /nfs/dbraw/zinc/91/92/39/386919239.db2.gz BFVIWKSHRCQTFD-SRVKXCTJSA-N 2 0 214.353 1.397 20 0 BDADRP COC(=O)C(C)(C)CC[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414944174 386902623 /nfs/dbraw/zinc/90/26/23/386902623.db2.gz GFRZHMATOFLJEV-GHMZBOCLSA-N 2 0 242.363 1.306 20 0 BDADRP COC(=O)C(C)(C)CC[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414944183 386903195 /nfs/dbraw/zinc/90/31/95/386903195.db2.gz GFRZHMATOFLJEV-WDEREUQCSA-N 2 0 242.363 1.306 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)N1CCO[C@H](C2CCC2)C1 ZINC000334856478 386908406 /nfs/dbraw/zinc/90/84/06/386908406.db2.gz YPNFWGYVXKXAIH-OCCSQVGLSA-N 2 0 238.375 1.487 20 0 BDADRP Cc1c[nH]nc1CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000334870977 386930885 /nfs/dbraw/zinc/93/08/85/386930885.db2.gz VXBIMFAHJURHJN-GXTWGEPZSA-N 2 0 248.374 1.682 20 0 BDADRP [NH3+]Cc1ccc(N[C@H]2CCC[NH2+]CC2)cc1 ZINC000334873298 386935364 /nfs/dbraw/zinc/93/53/64/386935364.db2.gz GMNAZHOAWDAADO-LBPRGKRZSA-N 2 0 219.332 1.699 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H](C)[C@H](C)[NH3+] ZINC000332001079 386939033 /nfs/dbraw/zinc/93/90/33/386939033.db2.gz OOIWFZIOLQPEFJ-VOAKCMCISA-N 2 0 227.396 1.623 20 0 BDADRP [NH3+]C1(C[NH2+][C@H]2CCCOCC2)CCCCC1 ZINC000334818969 386948103 /nfs/dbraw/zinc/94/81/03/386948103.db2.gz PQFQNKBQMZLBSW-LBPRGKRZSA-N 2 0 226.364 1.807 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000332249176 386969538 /nfs/dbraw/zinc/96/95/38/386969538.db2.gz XQAMMTMTDIDGGE-XDQVBPFNSA-N 2 0 240.391 1.787 20 0 BDADRP Cc1n[nH]c(C)c1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000334820056 386948325 /nfs/dbraw/zinc/94/83/25/386948325.db2.gz LCTKJRZYXZANSY-SKDRFNHKSA-N 2 0 236.363 1.443 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccncc2)C1 ZINC000162187919 386948494 /nfs/dbraw/zinc/94/84/94/386948494.db2.gz ZRXCTXRPLBVRIS-ZYHUDNBSSA-N 2 0 205.305 1.251 20 0 BDADRP CCC(CC)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313389017 387030288 /nfs/dbraw/zinc/03/02/88/387030288.db2.gz MCNBPFRRSOIPQN-GFCCVEGCSA-N 2 0 214.353 1.472 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cccc(C(N)=O)c1 ZINC000336788028 387030972 /nfs/dbraw/zinc/03/09/72/387030972.db2.gz GGVAGXXYSHLBRG-NSHDSACASA-N 2 0 249.358 1.393 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[N@H+](C)C[C@H]1CCOC1 ZINC000398993918 387034506 /nfs/dbraw/zinc/03/45/06/387034506.db2.gz QLENBNDODMFPFZ-VXGBXAGGSA-N 2 0 214.353 1.328 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](CCc2cccnc2)C1 ZINC000070074304 387043227 /nfs/dbraw/zinc/04/32/27/387043227.db2.gz QQKJXEKFLSDMRF-AWEZNQCLSA-N 2 0 233.359 1.685 20 0 BDADRP CCn1cncc1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000334964755 387044398 /nfs/dbraw/zinc/04/43/98/387044398.db2.gz CPPZVFZHQRNOCD-TZMCWYRMSA-N 2 0 249.358 1.904 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000359034318 387046754 /nfs/dbraw/zinc/04/67/54/387046754.db2.gz YSQPBSRTIRMHFU-MGPQQGTHSA-N 2 0 241.423 1.647 20 0 BDADRP COc1cccc2c1CCN(C[C@H](C)[NH3+])CC2 ZINC000334965995 387047058 /nfs/dbraw/zinc/04/70/58/387047058.db2.gz CYONRLJVGNXZQR-NSHDSACASA-N 2 0 234.343 1.443 20 0 BDADRP C[C@@H]([NH3+])CN1CC[C@H](n2ncc3ccccc32)C1 ZINC000334966842 387048667 /nfs/dbraw/zinc/04/86/67/387048667.db2.gz IBBAOUSMWIBKES-YPMHNXCESA-N 2 0 244.342 1.630 20 0 BDADRP Cc1cc(C)c2c(c1)CN(CC[NH3+])CC2 ZINC000334968959 387052130 /nfs/dbraw/zinc/05/21/30/387052130.db2.gz PKWOUAHSNRAFNW-UHFFFAOYSA-N 2 0 204.317 1.620 20 0 BDADRP C(C[NH+](CC1CC1)CC1CC1)N1CC[NH2+]CC1 ZINC000070505428 387067143 /nfs/dbraw/zinc/06/71/43/387067143.db2.gz OWSAEEKHNULAEX-UHFFFAOYSA-N 2 0 237.391 1.014 20 0 BDADRP C[C@@H](O)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000228029641 387059686 /nfs/dbraw/zinc/05/96/86/387059686.db2.gz UKEFBGYLBQOZJU-ODWCKFRGSA-N 2 0 226.364 1.362 20 0 BDADRP CC(C)([NH3+])CCC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000648108638 387060849 /nfs/dbraw/zinc/06/08/49/387060849.db2.gz ILIQQOFUVDMCSO-ZDUSSCGKSA-N 2 0 241.379 1.010 20 0 BDADRP Cc1cnc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)o1 ZINC000334980840 387068828 /nfs/dbraw/zinc/06/88/28/387068828.db2.gz OHKGWPYXCJBATE-QWHCGFSZSA-N 2 0 249.358 1.805 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)[C@H]1CCCC[NH2+]1 ZINC000333883493 387071040 /nfs/dbraw/zinc/07/10/40/387071040.db2.gz WRMJQEVCFCZWLT-WUHRBBMRSA-N 3 0 225.380 1.234 20 0 BDADRP CC(C)[C@H]([NH2+]C[C@@H](C)C[NH3+])c1cccnc1 ZINC000423299408 387130779 /nfs/dbraw/zinc/13/07/79/387130779.db2.gz QCUVLMGNILGPPV-AAEUAGOBSA-N 2 0 221.348 1.963 20 0 BDADRP C(C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)[C@H]1CC[NH2+]C1 ZINC000334994005 387084400 /nfs/dbraw/zinc/08/44/00/387084400.db2.gz REJSFCLWXLZLOX-KGLIPLIRSA-N 3 0 237.391 1.062 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCOCC(F)F)CC[N@@H+]1C ZINC000188744170 387088173 /nfs/dbraw/zinc/08/81/73/387088173.db2.gz RNUAPQAQWMJXAQ-UWVGGRQHSA-N 2 0 236.306 1.340 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]C1CC(F)(F)C1 ZINC000335008201 387102553 /nfs/dbraw/zinc/10/25/53/387102553.db2.gz IIRNXYNUYZDRLZ-PSASIEDQSA-N 2 0 218.291 1.891 20 0 BDADRP Cc1cncc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000335027371 387120832 /nfs/dbraw/zinc/12/08/32/387120832.db2.gz SQUDUHSSQSJVNE-TZMCWYRMSA-N 2 0 233.359 1.868 20 0 BDADRP C[C@]1(CN2CCO[C@H]3CCC[C@H]32)CC[NH2+]C1 ZINC000250789318 387122453 /nfs/dbraw/zinc/12/24/53/387122453.db2.gz HRIFCYHFENSZLC-AGIUHOORSA-N 2 0 224.348 1.239 20 0 BDADRP CCC1(CC)[C@H]([NH2+]CC2C[NH2+]C2)C[C@@H]1OC ZINC000423306452 387141475 /nfs/dbraw/zinc/14/14/75/387141475.db2.gz TWQYFSXZQKRYHQ-NEPJUHHUSA-N 2 0 226.364 1.389 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCCCCO)c2ccccc21 ZINC000229108661 387141532 /nfs/dbraw/zinc/14/15/32/387141532.db2.gz FHKVJWKMLLKFKT-ZIAGYGMSSA-N 2 0 234.343 1.883 20 0 BDADRP COc1ccccc1C[C@H](C)[NH2+]CC1C[NH2+]C1 ZINC000423306218 387141546 /nfs/dbraw/zinc/14/15/46/387141546.db2.gz SPAJSHGHBSUFEI-NSHDSACASA-N 2 0 234.343 1.435 20 0 BDADRP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H](C)C[NH3+] ZINC000423307191 387142712 /nfs/dbraw/zinc/14/27/12/387142712.db2.gz MWGKRMUKJHAUCD-NEPJUHHUSA-N 2 0 224.352 1.092 20 0 BDADRP COc1ccc2c(c1)C[C@@H]([NH2+]CC1C[NH2+]C1)CC2 ZINC000423308435 387143192 /nfs/dbraw/zinc/14/31/92/387143192.db2.gz XXTRUYPBNBQITR-AWEZNQCLSA-N 2 0 246.354 1.362 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000423310248 387147256 /nfs/dbraw/zinc/14/72/56/387147256.db2.gz ROAQLYXUYJCQST-AAVRWANBSA-N 2 0 240.391 1.766 20 0 BDADRP COCC1CCC([NH2+]C[C@H]([NH3+])C2CC2)CC1 ZINC000423312252 387149933 /nfs/dbraw/zinc/14/99/33/387149933.db2.gz CZPPZNSTAWIJIX-GDKBPFBDSA-N 2 0 226.364 1.519 20 0 BDADRP [NH3+][C@@H](C[NH2+][C@H](C1CC1)C1CCC1)C1CC1 ZINC000423314098 387153210 /nfs/dbraw/zinc/15/32/10/387153210.db2.gz GMQGYZRTMPLFJA-STQMWFEESA-N 2 0 208.349 1.892 20 0 BDADRP Cc1n[nH]cc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000336327798 387154194 /nfs/dbraw/zinc/15/41/94/387154194.db2.gz IBKHXWSEVKUDON-CQSZACIVSA-N 2 0 248.374 1.682 20 0 BDADRP CCC[NH2+]CC[NH2+][C@H]1CCC[C@@H]1CCOC ZINC000423316871 387157531 /nfs/dbraw/zinc/15/75/31/387157531.db2.gz YIRHWXBWBJQNQS-OLZOCXBDSA-N 2 0 228.380 1.781 20 0 BDADRP C[C@H]1C[C@@H](NCC2([NH3+])CCC2)C[N@@H+]1C1CC1 ZINC000423321345 387165159 /nfs/dbraw/zinc/16/51/59/387165159.db2.gz HISYTJULTXJXFS-WDEREUQCSA-N 2 0 223.364 1.083 20 0 BDADRP COCCC1(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000400733692 533212410 /nfs/dbraw/zinc/21/24/10/533212410.db2.gz RGIMRXPECUYQJS-NEPJUHHUSA-N 2 0 226.364 1.533 20 0 BDADRP CO[C@@H](C)C[N@H+](C)CCC[NH+]1CCCCC1 ZINC000353254894 387165970 /nfs/dbraw/zinc/16/59/70/387165970.db2.gz ODIAPFYFGYYUMS-ZDUSSCGKSA-N 2 0 228.380 1.829 20 0 BDADRP C[C@]1(CN[C@H]2CCC[C@H]2C[NH3+])CCC[NH2+]C1 ZINC000423323219 387168749 /nfs/dbraw/zinc/16/87/49/387168749.db2.gz ADSCUGKTQLSWOY-AVGNSLFASA-N 2 0 225.380 1.093 20 0 BDADRP C[C@H](C[NH3+])N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423330452 387175067 /nfs/dbraw/zinc/17/50/67/387175067.db2.gz PEZLAROCORIAFY-YVECIDJPSA-N 2 0 225.380 1.234 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423332812 387178574 /nfs/dbraw/zinc/17/85/74/387178574.db2.gz PKJVRKBPOLNJBU-TUAOUCFPSA-N 2 0 214.353 1.389 20 0 BDADRP [NH3+]CCCC[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000423335911 387182579 /nfs/dbraw/zinc/18/25/79/387182579.db2.gz UJKLATOHPVQMCA-MELADBBJSA-N 2 0 240.391 1.910 20 0 BDADRP C[N@@H+]1CC[C@H](NCC2([NH3+])CCC2)[C@H]2CCC[C@H]21 ZINC000423341200 387189716 /nfs/dbraw/zinc/18/97/16/387189716.db2.gz XUHMNGRVKFSCSH-FRRDWIJNSA-N 2 0 237.391 1.330 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CC2=CC[NH2+]CC2)CN1C1CC1 ZINC000423340357 387191197 /nfs/dbraw/zinc/19/11/97/387191197.db2.gz JKPMXQNTVQOMRV-WCQYABFASA-N 2 0 235.375 1.121 20 0 BDADRP COc1ccc2c(c1)[C@@H]([NH2+]CC1C[NH2+]C1)CCC2 ZINC000423300821 387133285 /nfs/dbraw/zinc/13/32/85/387133285.db2.gz FYXRJKSIHAOSOM-HNNXBMFYSA-N 2 0 246.354 1.882 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]CC2C[NH2+]C2)C1(CC)CC ZINC000423300099 387133438 /nfs/dbraw/zinc/13/34/38/387133438.db2.gz DHELWANEVVCYBV-QWHCGFSZSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@H](c1ccccc1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088287715 387137456 /nfs/dbraw/zinc/13/74/56/387137456.db2.gz IKADZZUFCZJQOE-BNOWGMLFSA-N 2 0 216.328 1.899 20 0 BDADRP COc1ccc([C@@H](C)[NH2+]CC2C[NH2+]C2)cc1 ZINC000423304932 387139272 /nfs/dbraw/zinc/13/92/72/387139272.db2.gz PYSNUXFPKMSHDC-SNVBAGLBSA-N 2 0 220.316 1.565 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000336312087 387139643 /nfs/dbraw/zinc/13/96/43/387139643.db2.gz AEAHWMFGYUHQQB-VXGBXAGGSA-N 3 0 225.380 1.045 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000423305035 387140360 /nfs/dbraw/zinc/14/03/60/387140360.db2.gz ZZNQAERXMFOKPV-YNEHKIRRSA-N 2 0 227.396 1.576 20 0 BDADRP CC[C@H]([NH2+]CC1=CC[NH2+]CC1)[C@@H]1C[C@H]1C ZINC000423357666 387208403 /nfs/dbraw/zinc/20/84/03/387208403.db2.gz SMPPFJLPBKKOOF-RTXFEEFZSA-N 2 0 208.349 1.930 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)C1CCOCC1 ZINC000423358305 387211144 /nfs/dbraw/zinc/21/11/44/387211144.db2.gz JIBGCYKFHSHVDP-DGCLKSJQSA-N 2 0 226.364 1.533 20 0 BDADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000336381654 387212389 /nfs/dbraw/zinc/21/23/89/387212389.db2.gz XNJQCYYDLLTLML-CHWSQXEVSA-N 2 0 226.364 1.582 20 0 BDADRP C[C@@H]1C[C@@H](NCC[C@H]2CCC[NH2+]2)C[N@@H+]1C1CC1 ZINC000423364704 387216860 /nfs/dbraw/zinc/21/68/60/387216860.db2.gz OXYMJFOMSTUPDF-JHJVBQTASA-N 2 0 237.391 1.343 20 0 BDADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000423366641 387218844 /nfs/dbraw/zinc/21/88/44/387218844.db2.gz CSFNHDVMNQQCBY-UMSGYPCISA-N 2 0 225.380 1.057 20 0 BDADRP CCCC[N@H+](C)CCNC(=O)C[NH+](C)CCC ZINC000352461259 387226605 /nfs/dbraw/zinc/22/66/05/387226605.db2.gz KTYPUJNLKMDDAN-UHFFFAOYSA-N 2 0 243.395 1.176 20 0 BDADRP C[C@H](Cc1cnccn1)[NH2+]C1CCN(C)CC1 ZINC000360170870 387236687 /nfs/dbraw/zinc/23/66/87/387236687.db2.gz PKIGPEBNFJFPPM-LLVKDONJSA-N 2 0 234.347 1.091 20 0 BDADRP CC[C@H]1CC[C@@H]1[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000423407867 387242866 /nfs/dbraw/zinc/24/28/66/387242866.db2.gz NMNSQMWXOIJHCK-STQMWFEESA-N 2 0 240.391 1.781 20 0 BDADRP C[C@H](Cc1ccoc1)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000423405832 387243023 /nfs/dbraw/zinc/24/30/23/387243023.db2.gz UBKXGZYHJRTWRO-DMDPSCGWSA-N 2 0 222.332 1.798 20 0 BDADRP COC[C@]1(C[NH2+][C@@H](C)[C@H]2CC2(C)C)CCC[NH2+]1 ZINC000423414001 387246772 /nfs/dbraw/zinc/24/67/72/387246772.db2.gz LVEKMQZXEPERPQ-OUCADQQQSA-N 2 0 240.391 1.779 20 0 BDADRP Cc1cnc(CN2CCCC[C@H]2CC[NH3+])cn1 ZINC000352487441 387246941 /nfs/dbraw/zinc/24/69/41/387246941.db2.gz FCFYRBWKGLGHHB-ZDUSSCGKSA-N 2 0 234.347 1.488 20 0 BDADRP COC[C@]1(C[NH2+][C@@H]2C[C@H](C)[C@H]2C)CCC[NH2+]1 ZINC000423411306 387247084 /nfs/dbraw/zinc/24/70/84/387247084.db2.gz FJCFKJZLMOESON-UMSGYPCISA-N 2 0 226.364 1.389 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423418629 387248232 /nfs/dbraw/zinc/24/82/32/387248232.db2.gz HSYOKJFLBJTPHF-MGPQQGTHSA-N 3 0 241.423 1.859 20 0 BDADRP C1CC2(C1)CCC[C@@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423422886 387250536 /nfs/dbraw/zinc/25/05/36/387250536.db2.gz CYJIHERABMLUSX-WHOHXGKFSA-N 2 0 206.333 1.517 20 0 BDADRP C[C@@H](NC[C@@H]1[NH2+]CCc2ccccc21)C1C[NH2+]C1 ZINC000423424941 387251868 /nfs/dbraw/zinc/25/18/68/387251868.db2.gz LYLTYJCRDSIHRM-ABAIWWIYSA-N 2 0 245.370 1.071 20 0 BDADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cnccc1N ZINC000423346201 387195847 /nfs/dbraw/zinc/19/58/47/387195847.db2.gz ZMCVGCYXJKWOIC-NSHDSACASA-N 2 0 248.374 1.534 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423427124 387252250 /nfs/dbraw/zinc/25/22/50/387252250.db2.gz IEIXUYWTQBLZTN-AVGNSLFASA-N 3 0 227.396 1.624 20 0 BDADRP CCCC[C@@H](COC)[NH2+]CC1=CC[NH2+]CC1 ZINC000423347445 387196909 /nfs/dbraw/zinc/19/69/09/387196909.db2.gz QMULPOIXUJTVKD-ZDUSSCGKSA-N 2 0 226.364 1.701 20 0 BDADRP CC(C)[NH2+][C@H]1CCCN(Cc2cc[nH]c(=O)c2)C1 ZINC000639529704 387312321 /nfs/dbraw/zinc/31/23/21/387312321.db2.gz KNJLHTRRUBELRX-ZDUSSCGKSA-N 2 0 249.358 1.750 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1C[C@@H](OC)C1(CC)CC ZINC000423464606 387312568 /nfs/dbraw/zinc/31/25/68/387312568.db2.gz MGLSPPFRYBHZIF-QJPTWQEYSA-N 2 0 228.380 1.907 20 0 BDADRP C[C@@H]1CCNC[C@@H]1[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423466481 387314357 /nfs/dbraw/zinc/31/43/57/387314357.db2.gz AQGCKFVVEMJDQP-AGIUHOORSA-N 2 0 225.380 1.106 20 0 BDADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)[C@@H]1CCCOC1 ZINC000423466003 387315154 /nfs/dbraw/zinc/31/51/54/387315154.db2.gz AKIJIXNOXOUINT-BFHYXJOUSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@H]1CCC[NH2+]1 ZINC000423429028 387254126 /nfs/dbraw/zinc/25/41/26/387254126.db2.gz JVRVXTYQRSEFEN-YXCITZCRSA-N 3 0 237.391 1.105 20 0 BDADRP COCCC[C@@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000423429325 387254744 /nfs/dbraw/zinc/25/47/44/387254744.db2.gz KEMVOYYBBHFKPI-VXGBXAGGSA-N 2 0 216.369 1.909 20 0 BDADRP C[C@@H](N[C@H]1CC[NH2+][C@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000423377866 387259331 /nfs/dbraw/zinc/25/93/31/387259331.db2.gz KOJWMUZEIGTNLP-NDBYEHHHSA-N 2 0 225.380 1.247 20 0 BDADRP COC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)C1CC1 ZINC000423379252 387260294 /nfs/dbraw/zinc/26/02/94/387260294.db2.gz MUMFYMRAJUCTGJ-WCQGTBRESA-N 2 0 212.337 1.142 20 0 BDADRP C[C@H](N[C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000423377869 387260556 /nfs/dbraw/zinc/26/05/56/387260556.db2.gz KOJWMUZEIGTNLP-XQHKEYJVSA-N 2 0 225.380 1.247 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2CCCC[C@@H]2C[NH3+])CC[NH2+]1 ZINC000423378296 387260564 /nfs/dbraw/zinc/26/05/64/387260564.db2.gz KSLDWGMPOJQIGG-FDYHWXHSSA-N 2 0 225.380 1.234 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000423385248 387268448 /nfs/dbraw/zinc/26/84/48/387268448.db2.gz KJGMORDOQZTZDR-SRVKXCTJSA-N 2 0 227.396 1.480 20 0 BDADRP CC[NH2+]Cc1cccc(NC(=O)[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000572243767 387275160 /nfs/dbraw/zinc/27/51/60/387275160.db2.gz LDEPDMIHUVGLQS-TXEJJXNPSA-N 2 0 247.342 1.472 20 0 BDADRP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423432693 387284119 /nfs/dbraw/zinc/28/41/19/387284119.db2.gz MRDBSQJYTBYEGS-LDTYRUFESA-N 2 0 208.349 1.619 20 0 BDADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCC(C)(C)O)C1 ZINC000360437259 387284802 /nfs/dbraw/zinc/28/48/02/387284802.db2.gz LWOOIJNTKMZHGJ-CYBMUJFWSA-N 2 0 242.407 1.811 20 0 BDADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000423439422 387291185 /nfs/dbraw/zinc/29/11/85/387291185.db2.gz AARRLJPBLJCDRI-ODXJTPSBSA-N 2 0 240.391 1.907 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccncc1F ZINC000423443379 387292819 /nfs/dbraw/zinc/29/28/19/387292819.db2.gz AIYNCXVPCQCNEV-UWVGGRQHSA-N 2 0 225.311 1.999 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ccncc1F ZINC000423443380 387292953 /nfs/dbraw/zinc/29/29/53/387292953.db2.gz AIYNCXVPCQCNEV-VHSXEESVSA-N 2 0 225.311 1.999 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423448625 387297060 /nfs/dbraw/zinc/29/70/60/387297060.db2.gz VGCFYQRMFCEONO-JULQROHOSA-N 2 0 226.364 1.388 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423454248 387301840 /nfs/dbraw/zinc/30/18/40/387301840.db2.gz BYPBILJPSJKJLE-MQYQWHSLSA-N 3 0 239.407 1.434 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000423455516 387303331 /nfs/dbraw/zinc/30/33/31/387303331.db2.gz CPBQWLGRGYKPOA-XJFOESAGSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@H]([NH3+])[C@H](C)N[C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423455805 387303530 /nfs/dbraw/zinc/30/35/30/387303530.db2.gz CXPHCVKBMVVALV-MNXVOIDGSA-N 2 0 235.375 1.270 20 0 BDADRP COC[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])C1CCCC1 ZINC000423457862 387305487 /nfs/dbraw/zinc/30/54/87/387305487.db2.gz GFXCFJLBFYJXLZ-FOGDFJRCSA-N 2 0 214.353 1.517 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@H](C)C1CCSCC1 ZINC000423457445 387306865 /nfs/dbraw/zinc/30/68/65/387306865.db2.gz FRVNQBCVYRSCCW-KOLCDFICSA-N 2 0 216.394 1.845 20 0 BDADRP Cc1cc(CC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)on1 ZINC000353995189 387307230 /nfs/dbraw/zinc/30/72/30/387307230.db2.gz HHHSDSFHKLFTLM-MFKMUULPSA-N 2 0 237.347 1.455 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1cnn(C)c1 ZINC000423458546 387307272 /nfs/dbraw/zinc/30/72/72/387307272.db2.gz KGGFRIDVRFTACI-LOWVWBTDSA-N 2 0 236.363 1.588 20 0 BDADRP CO[C@@H](C)[C@H](C)[NH2+]CCC[NH2+]C(C)C ZINC000514930519 387308461 /nfs/dbraw/zinc/30/84/61/387308461.db2.gz MYILGEFBWFGTNO-QWRGUYRKSA-N 2 0 202.342 1.388 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCC2=CC[NH2+]CC2)CN1C1CC1 ZINC000423537488 387363767 /nfs/dbraw/zinc/36/37/67/387363767.db2.gz KCBLVIKRLDBFEJ-TZMCWYRMSA-N 2 0 249.402 1.511 20 0 BDADRP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423538184 387364741 /nfs/dbraw/zinc/36/47/41/387364741.db2.gz MERJPZRIUSPJRD-SWLSCSKDSA-N 2 0 249.402 1.369 20 0 BDADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)[C@H]1C[C@H]1C ZINC000423541511 387365596 /nfs/dbraw/zinc/36/55/96/387365596.db2.gz SBFBCUIHTXNQSM-MDZLAQPJSA-N 2 0 208.349 1.930 20 0 BDADRP COC1CCC([NH2+]CCC2=CC[NH2+]CC2)CC1 ZINC000423540862 387366129 /nfs/dbraw/zinc/36/61/29/387366129.db2.gz QXTPUBQDDYTEGB-UHFFFAOYSA-N 2 0 238.375 1.843 20 0 BDADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)[C@H]1CCCO1 ZINC000423539708 387366641 /nfs/dbraw/zinc/36/66/41/387366641.db2.gz PCIAXRWSTMURHP-DGCLKSJQSA-N 2 0 224.348 1.453 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423474315 387319915 /nfs/dbraw/zinc/31/99/15/387319915.db2.gz HDMQXKOTQLYMMH-QWHCGFSZSA-N 3 0 227.396 1.626 20 0 BDADRP C[C@H](N[C@H]1C[NH2+]CCC1(F)F)[C@H]1CCCC[NH2+]1 ZINC000423474857 387321436 /nfs/dbraw/zinc/32/14/36/387321436.db2.gz HTRDWWIACRSSGL-AXFHLTTASA-N 2 0 247.333 1.104 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)[C@H](C)O1 ZINC000423474844 387321789 /nfs/dbraw/zinc/32/17/89/387321789.db2.gz HSIUHSIHLBLBQG-VOAKCMCISA-N 2 0 226.364 1.674 20 0 BDADRP C[C@H]([NH3+])[C@H](C)N[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423475106 387321960 /nfs/dbraw/zinc/32/19/60/387321960.db2.gz RMWSNEJBZMQHQX-HTVCTNPSSA-N 2 0 239.407 1.623 20 0 BDADRP CC[C@H]([NH3+])CN[C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423477362 387324694 /nfs/dbraw/zinc/32/46/94/387324694.db2.gz TVZWZLYEXWWADL-FPMFFAJLSA-N 2 0 235.375 1.272 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCC[C@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000423476603 387324929 /nfs/dbraw/zinc/32/49/29/387324929.db2.gz JBSGCONMFAHRQJ-MCIONIFRSA-N 3 0 239.407 1.591 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000643462675 387326807 /nfs/dbraw/zinc/32/68/07/387326807.db2.gz CRQYTDWASGZAAP-MJBXVCDLSA-N 2 0 237.391 1.188 20 0 BDADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)C1CCOCC1 ZINC000423482644 387329879 /nfs/dbraw/zinc/32/98/79/387329879.db2.gz PMAYRTZURAADAI-GXTWGEPZSA-N 2 0 240.391 1.923 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2C)C1 ZINC000321957013 387335083 /nfs/dbraw/zinc/33/50/83/387335083.db2.gz XXFGLYWWJITQGQ-FDYHWXHSSA-N 2 0 210.365 1.962 20 0 BDADRP C([NH2+][C@@H](C1CC1)C1CCC1)[C@H]1C[NH2+]CCCO1 ZINC000423492818 387335183 /nfs/dbraw/zinc/33/51/83/387335183.db2.gz OSOJHMQLTSWSAF-ZIAGYGMSSA-N 2 0 238.375 1.533 20 0 BDADRP COC[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)C1CC1 ZINC000423492677 387335669 /nfs/dbraw/zinc/33/56/69/387335669.db2.gz ODJOZGCEFGQDLF-JLLWLGSASA-N 2 0 212.337 1.128 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)[C@@H]1CC1(C)C ZINC000423492296 387336800 /nfs/dbraw/zinc/33/68/00/387336800.db2.gz MLQUQTGTXNOMOC-TUAOUCFPSA-N 2 0 226.364 1.389 20 0 BDADRP CC[NH+](CC)CCN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623337307 387337278 /nfs/dbraw/zinc/33/72/78/387337278.db2.gz CQKOZODSMLTBAJ-CYBMUJFWSA-N 2 0 241.423 1.791 20 0 BDADRP C[NH+](C)[C@H]1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000336514524 387339390 /nfs/dbraw/zinc/33/93/90/387339390.db2.gz XNJQCYYDLLTLML-STQMWFEESA-N 2 0 226.364 1.582 20 0 BDADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000423498055 387340249 /nfs/dbraw/zinc/34/02/49/387340249.db2.gz ZUFCTYHSAWTOEN-UHXUPSOCSA-N 2 0 237.391 1.186 20 0 BDADRP C[C@@H](C(=O)Nc1ccc2c(c1)C[NH2+]C2)C1C[NH2+]C1 ZINC000572362660 387347862 /nfs/dbraw/zinc/34/78/62/387347862.db2.gz YEEKMEHFICOUTB-SECBINFHSA-N 2 0 245.326 1.084 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C(=O)NCC2([NH3+])CCC2)cc1 ZINC000423513723 387348424 /nfs/dbraw/zinc/34/84/24/387348424.db2.gz RWMJRALWXIYMGX-SNVBAGLBSA-N 2 0 247.342 1.318 20 0 BDADRP Cc1n[nH]cc1CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000336523547 387348486 /nfs/dbraw/zinc/34/84/86/387348486.db2.gz XXPYVNZHTUCZAW-FUNVUKJBSA-N 2 0 234.347 1.433 20 0 BDADRP C[C@@H](c1cn[nH]c1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423513766 387348490 /nfs/dbraw/zinc/34/84/90/387348490.db2.gz SCSWEWRNEGRPGL-JFGNBEQYSA-N 2 0 222.336 1.387 20 0 BDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]([NH3+])CCC ZINC000423779587 387425488 /nfs/dbraw/zinc/42/54/88/387425488.db2.gz VMOGWENROUFHHN-NWDGAFQWSA-N 2 0 243.395 1.350 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)cc1 ZINC000336601226 387444444 /nfs/dbraw/zinc/44/44/44/387444444.db2.gz QFFONWYDGYUKEH-JSGCOSHPSA-N 2 0 245.326 1.083 20 0 BDADRP CSC1(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000304235124 387450623 /nfs/dbraw/zinc/45/06/23/387450623.db2.gz BTQLIFYCVGLHKD-NSHDSACASA-N 2 0 240.416 1.956 20 0 BDADRP CC[C@@H]([NH3+])CNC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000423675828 387395173 /nfs/dbraw/zinc/39/51/73/387395173.db2.gz ICXBICJTJYKKHD-NEPJUHHUSA-N 2 0 241.379 1.138 20 0 BDADRP CCC[C@H](C(=O)N[C@H](C)CCCC[NH3+])[NH+](C)C ZINC000423700726 387400279 /nfs/dbraw/zinc/40/02/79/387400279.db2.gz UQIWAUDJESFQFZ-VXGBXAGGSA-N 2 0 243.395 1.350 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000515634614 387404633 /nfs/dbraw/zinc/40/46/33/387404633.db2.gz UNWDAGQBPRRPSD-UPJWGTAASA-N 2 0 248.374 1.517 20 0 BDADRP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000643468301 387419544 /nfs/dbraw/zinc/41/95/44/387419544.db2.gz LJAOAYQVPRJURY-MDFVCYEDSA-N 2 0 208.349 1.905 20 0 BDADRP Cc1cc(C)c(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cn1 ZINC000396973373 387525336 /nfs/dbraw/zinc/52/53/36/387525336.db2.gz IFPUXHSPNCWFIP-TZMCWYRMSA-N 2 0 233.359 1.915 20 0 BDADRP CS[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000425364870 387526043 /nfs/dbraw/zinc/52/60/43/387526043.db2.gz ZSKDZBOBSHFZKA-KGYLQXTDSA-N 2 0 240.416 1.954 20 0 BDADRP CCOC1CC([NH2+]C[C@H]2CCC[N@H+](C)C2)C1 ZINC000162789536 387527239 /nfs/dbraw/zinc/52/72/39/387527239.db2.gz RQHZEVCBLQHIQZ-PNESKVBLSA-N 2 0 226.364 1.485 20 0 BDADRP CCOC1CC([NH2+]C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000162789406 387527898 /nfs/dbraw/zinc/52/78/98/387527898.db2.gz RQHZEVCBLQHIQZ-HIFPTAJRSA-N 2 0 226.364 1.485 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)C(C)(C)C ZINC000361804917 387538784 /nfs/dbraw/zinc/53/87/84/387538784.db2.gz PLKFJIIBWCYJEB-YNEHKIRRSA-N 2 0 242.407 1.977 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCCCO)C1 ZINC000304327533 387467005 /nfs/dbraw/zinc/46/70/05/387467005.db2.gz TXLKYEQBBORECQ-LBPRGKRZSA-N 2 0 214.353 1.033 20 0 BDADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC(C)(C)CC[NH3+] ZINC000424048885 387470709 /nfs/dbraw/zinc/47/07/09/387470709.db2.gz SSTGJYACYLJPBJ-QWRGUYRKSA-N 2 0 241.379 1.103 20 0 BDADRP CO[C@@H](C)[C@@H](C)[NH2+]CCC1CC[NH+](C)CC1 ZINC000122141104 387487596 /nfs/dbraw/zinc/48/75/96/387487596.db2.gz TXXZRQXZJCYDIM-NEPJUHHUSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000643474456 387489893 /nfs/dbraw/zinc/48/98/93/387489893.db2.gz PLFDAOFLLPBVCR-XUJVJEKNSA-N 2 0 248.370 1.349 20 0 BDADRP CC[C@@H](C)[C@@H](O)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422715983 387628189 /nfs/dbraw/zinc/62/81/89/387628189.db2.gz TYAYRZQVLYRDRS-XVSSEFHLSA-N 2 0 228.380 1.501 20 0 BDADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000643511629 387593498 /nfs/dbraw/zinc/59/34/98/387593498.db2.gz PLOALQUSLJYSNK-WCQYABFASA-N 3 0 227.396 1.290 20 0 BDADRP CC(C)(CC[NH3+])NC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000422543084 387597385 /nfs/dbraw/zinc/59/73/85/387597385.db2.gz RPFNEIVCLBNPPU-MNOVXSKESA-N 2 0 241.379 1.138 20 0 BDADRP C1CC2(C1)[NH2+]CC[C@H]2N[C@H]1CCC[NH2+]CC1 ZINC000527532170 387598796 /nfs/dbraw/zinc/59/87/96/387598796.db2.gz JVHYRTHLPROKNF-NWDGAFQWSA-N 2 0 223.364 1.003 20 0 BDADRP CCCC[C@H](CN)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000643514294 387599092 /nfs/dbraw/zinc/59/90/92/387599092.db2.gz DGEPXSWBWWOFMT-TZMCWYRMSA-N 2 0 241.423 1.824 20 0 BDADRP C[C@H]1C[C@H]1C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422561073 387602638 /nfs/dbraw/zinc/60/26/38/387602638.db2.gz IVZHOGMHWBPNQJ-MOLYVOAJSA-N 2 0 210.365 1.948 20 0 BDADRP CCOC(=O)CC[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422638738 387610527 /nfs/dbraw/zinc/61/05/27/387610527.db2.gz RHAQRPIDVSTSQP-WOPDTQHZSA-N 2 0 242.363 1.245 20 0 BDADRP CC[C@H](NC[C@@H]1CC[N@H+](CC)C1)[C@@H]1CCC[NH2+]1 ZINC000422695383 387612836 /nfs/dbraw/zinc/61/28/36/387612836.db2.gz PUDCUKLMWQUWEI-IHRRRGAJSA-N 2 0 239.407 1.448 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCc1c(F)cccc1F ZINC000422698040 387613950 /nfs/dbraw/zinc/61/39/50/387613950.db2.gz XIBMJZSUPXERST-OLZOCXBDSA-N 2 0 240.297 1.977 20 0 BDADRP CC[N@@H+]1CC[C@H](CN[C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000422698413 387616211 /nfs/dbraw/zinc/61/62/11/387616211.db2.gz ZESBWWUCXIWOBL-MGPQQGTHSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](O)C1CCCCC1 ZINC000422705768 387621370 /nfs/dbraw/zinc/62/13/70/387621370.db2.gz SDQXETTWEBVJGN-GVXVVHGQSA-N 2 0 228.380 1.643 20 0 BDADRP CCCC[N@H+](C)CCN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422708810 387622944 /nfs/dbraw/zinc/62/29/44/387622944.db2.gz JKDJKQCIRVZOOD-KGLIPLIRSA-N 2 0 241.423 1.839 20 0 BDADRP CCC[C@H](O)C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422708816 387624053 /nfs/dbraw/zinc/62/40/53/387624053.db2.gz JKQLLKFWCGRKJR-WOPDTQHZSA-N 2 0 214.353 1.125 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC1CC[NH+](CC2CC2)CC1 ZINC000422712533 387625478 /nfs/dbraw/zinc/62/54/78/387625478.db2.gz GUWJDJADSQPWPV-RYUDHWBXSA-N 2 0 239.407 1.576 20 0 BDADRP CC[N@H+](CC[C@H]1CCC[NH+]1C)CC(C)(C)O ZINC000305682218 387626744 /nfs/dbraw/zinc/62/67/44/387626744.db2.gz OFJDANUJOBLEDH-GFCCVEGCSA-N 2 0 228.380 1.564 20 0 BDADRP [NH3+]Cc1ccc(C(=O)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000376384514 387626924 /nfs/dbraw/zinc/62/69/24/387626924.db2.gz JSNFFSBDOVKEEU-CYBMUJFWSA-N 2 0 247.342 1.017 20 0 BDADRP CC[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000036871220 387557456 /nfs/dbraw/zinc/55/74/56/387557456.db2.gz WIPHJFHVYZLBHR-RYUDHWBXSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000168553645 387571789 /nfs/dbraw/zinc/57/17/89/387571789.db2.gz RKIAOQOSBHUMED-TUAOUCFPSA-N 2 0 212.337 1.225 20 0 BDADRP CC(C)C[C@@H](C[NH+](C)C)N[C@H](C)C1C[NH2+]C1 ZINC000422717118 387629983 /nfs/dbraw/zinc/62/99/83/387629983.db2.gz OGIVESAQWRURFA-YPMHNXCESA-N 2 0 227.396 1.160 20 0 BDADRP CC(C)[C@](C)(C[NH3+])NCc1cccc(C(N)=O)c1 ZINC000430590818 387630893 /nfs/dbraw/zinc/63/08/93/387630893.db2.gz MASMVCCFEWQBHL-AWEZNQCLSA-N 2 0 249.358 1.249 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCCOC1)[C@@H]1CCCC[NH2+]1 ZINC000422721840 387634187 /nfs/dbraw/zinc/63/41/87/387634187.db2.gz WDKOPOCBQHBDJH-AGIUHOORSA-N 2 0 226.364 1.533 20 0 BDADRP CC[NH+](CC)CCCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422725055 387636782 /nfs/dbraw/zinc/63/67/82/387636782.db2.gz AGTZEDRQRGKTFK-UONOGXRCSA-N 2 0 241.423 1.696 20 0 BDADRP C[C@]1(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])CCOC1 ZINC000422725344 387637100 /nfs/dbraw/zinc/63/71/00/387637100.db2.gz BDZANZRDQDIFEY-FRRDWIJNSA-N 2 0 226.364 1.663 20 0 BDADRP C[C@@H]([NH2+]C[C@]1(C)CCOC1)[C@@H]1CCCC[NH2+]1 ZINC000422728322 387637823 /nfs/dbraw/zinc/63/78/23/387637823.db2.gz JBUORPYCKOUSRI-AGIUHOORSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC1CCSCC1 ZINC000422730870 387638554 /nfs/dbraw/zinc/63/85/54/387638554.db2.gz MPGCTIHLRBDEEA-NXEZZACHSA-N 2 0 216.394 1.845 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC1CCSCC1 ZINC000422730872 387639252 /nfs/dbraw/zinc/63/92/52/387639252.db2.gz MPGCTIHLRBDEEA-VHSXEESVSA-N 2 0 216.394 1.845 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCc1ccccn1 ZINC000422731852 387640563 /nfs/dbraw/zinc/64/05/63/387640563.db2.gz MSAIWRNGRAWMTM-ZIAGYGMSSA-N 2 0 233.359 1.874 20 0 BDADRP COc1ccc(CC[NH2+][C@H](C)C[C@H](C)[NH3+])cc1 ZINC000422736406 387642724 /nfs/dbraw/zinc/64/27/24/387642724.db2.gz WCKAGILGUGIYIM-NWDGAFQWSA-N 2 0 236.359 1.953 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NC[C@H](C)[N@H+](C)C1CC1 ZINC000422735973 387644191 /nfs/dbraw/zinc/64/41/91/387644191.db2.gz FRONCIKYHXQGFU-AXFHLTTASA-N 2 0 213.369 1.185 20 0 BDADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)CCC[NH3+])C1 ZINC000422737098 387645907 /nfs/dbraw/zinc/64/59/07/387645907.db2.gz HLRDPLWHMAPJMI-KGLIPLIRSA-N 3 0 241.423 1.824 20 0 BDADRP CC[C@H](NCCC[NH+](CC)CC)[C@@H]1CCC[NH2+]1 ZINC000422737934 387646307 /nfs/dbraw/zinc/64/63/07/387646307.db2.gz XZUYVIYDNKSNEY-KBPBESRZSA-N 2 0 241.423 1.839 20 0 BDADRP CC(C)[N@@H+]1CCC[C@H](CN[C@H]2CCC[C@@H]2[NH3+])C1 ZINC000422745445 387648054 /nfs/dbraw/zinc/64/80/54/387648054.db2.gz VEENQLOZTAADBS-RDBSUJKOSA-N 2 0 239.407 1.576 20 0 BDADRP CCN(CC)CC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422747269 387649796 /nfs/dbraw/zinc/64/97/96/387649796.db2.gz PQCSYFLKFOJSML-UHFFFAOYSA-N 2 0 227.396 1.435 20 0 BDADRP CC[C@H](N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000422746703 387649868 /nfs/dbraw/zinc/64/98/68/387649868.db2.gz WYOYHQNTXVMIEF-XBFCOCLRSA-N 2 0 237.391 1.343 20 0 BDADRP CC[C@@H](NC[C@@H](C)[N@H+](C)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000422746220 387651725 /nfs/dbraw/zinc/65/17/25/387651725.db2.gz WEWVQQOOCRDDPK-BNOWGMLFSA-N 2 0 239.407 1.589 20 0 BDADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCCO1 ZINC000422746151 387652004 /nfs/dbraw/zinc/65/20/04/387652004.db2.gz NLCNGWLWNIGZQL-CFVMTHIKSA-N 2 0 248.370 1.714 20 0 BDADRP CCCC[NH+]1CCC(N[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000422795208 387695371 /nfs/dbraw/zinc/69/53/71/387695371.db2.gz ZZBCWBREBHPSPI-QWHCGFSZSA-N 2 0 241.423 1.966 20 0 BDADRP C[C@@H]([NH3+])CC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000430801969 387653892 /nfs/dbraw/zinc/65/38/92/387653892.db2.gz INRSRUFZGRUVMX-GHMZBOCLSA-N 2 0 243.395 1.206 20 0 BDADRP COC(C)(C)C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000123119891 387655541 /nfs/dbraw/zinc/65/55/41/387655541.db2.gz FPEWAMCRTXOYQM-QWRGUYRKSA-N 2 0 214.353 1.341 20 0 BDADRP CCCC[C@H](COC)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422749841 387655633 /nfs/dbraw/zinc/65/56/33/387655633.db2.gz BCTOMCQACMIFHK-ZYHUDNBSSA-N 2 0 214.353 1.389 20 0 BDADRP COC[C@@H]([NH2+]CCC1CC[NH+](C)CC1)C1CC1 ZINC000125490729 387657872 /nfs/dbraw/zinc/65/78/72/387657872.db2.gz ZOWHXQFIZRELCL-CQSZACIVSA-N 2 0 240.391 1.733 20 0 BDADRP [NH3+]CC1CCC([NH2+]CCN2CCCC2)CC1 ZINC000422753410 387657947 /nfs/dbraw/zinc/65/79/47/387657947.db2.gz CNMJVDSIGVYSSX-UHFFFAOYSA-N 2 0 225.380 1.189 20 0 BDADRP C[C@@H](NCC[N@H+](C)Cc1ccccc1)C1C[NH2+]C1 ZINC000422753316 387658398 /nfs/dbraw/zinc/65/83/98/387658398.db2.gz GDGZVFFVQHXUDY-CYBMUJFWSA-N 2 0 247.386 1.316 20 0 BDADRP CC[C@H](NC[C@H]1CCC[N@@H+]1CC)[C@@H]1CCC[NH2+]1 ZINC000422755601 387659185 /nfs/dbraw/zinc/65/91/85/387659185.db2.gz KRGHPSQDGCUDHO-RDBSUJKOSA-N 2 0 239.407 1.591 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@H](C)C[C@@H](C)[NH3+] ZINC000422756876 387660188 /nfs/dbraw/zinc/66/01/88/387660188.db2.gz MATOIFNESNIGJV-IJLUTSLNSA-N 2 0 213.369 1.186 20 0 BDADRP CC[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422792820 387695612 /nfs/dbraw/zinc/69/56/12/387695612.db2.gz ZMXSERPYVLNFRL-XUXIUFHCSA-N 2 0 239.407 1.589 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCOc1ccccc1F ZINC000422757844 387661616 /nfs/dbraw/zinc/66/16/16/387661616.db2.gz NAYJHMGBSYNUMY-QWRGUYRKSA-N 2 0 240.322 1.920 20 0 BDADRP C[C@@H]([NH2+]C[C@@H](CO)Cc1ccccc1)C1C[NH2+]C1 ZINC000422759717 387663373 /nfs/dbraw/zinc/66/33/73/387663373.db2.gz LFHFYRDYKNECRZ-OCCSQVGLSA-N 2 0 248.370 1.035 20 0 BDADRP CN(CCC[NH2+][C@@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000422763482 387664645 /nfs/dbraw/zinc/66/46/45/387664645.db2.gz OSLAWVLVMDYTTL-LSDHHAIUSA-N 2 0 247.386 1.982 20 0 BDADRP COc1ccccc1CC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422763557 387664753 /nfs/dbraw/zinc/66/47/53/387664753.db2.gz OVNWRXPNZSDWQC-NWDGAFQWSA-N 2 0 236.359 1.953 20 0 BDADRP C[C@@H]([NH2+]CCc1cccs1)C1C[NH2+]C1 ZINC000422763148 387664782 /nfs/dbraw/zinc/66/47/82/387664782.db2.gz TUGHGQRTSXJBAB-SECBINFHSA-N 2 0 210.346 1.488 20 0 BDADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@@H](C)C1C[NH2+]C1 ZINC000422769551 387667564 /nfs/dbraw/zinc/66/75/64/387667564.db2.gz VEJLPXUFSGYDJD-UPJWGTAASA-N 2 0 239.407 1.304 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H](O)CC(C)(C)C ZINC000422766623 387668874 /nfs/dbraw/zinc/66/88/74/387668874.db2.gz SAKJUFDZGRJVDL-AGIUHOORSA-N 2 0 242.407 1.761 20 0 BDADRP CCC[C@@H](C(=O)NC1CCC([NH3+])CC1)[NH+](C)C ZINC000422767768 387668983 /nfs/dbraw/zinc/66/89/83/387668983.db2.gz RMXVOQQTNHDZCO-MCIGGMRASA-N 2 0 241.379 1.103 20 0 BDADRP COCCCC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431025902 387669947 /nfs/dbraw/zinc/66/99/47/387669947.db2.gz QCLFGEYFXKBARI-UHFFFAOYSA-N 2 0 226.364 1.489 20 0 BDADRP COC[C@@H]([NH2+]CCC[NH+]1CCCCC1)C1CC1 ZINC000126037583 387672950 /nfs/dbraw/zinc/67/29/50/387672950.db2.gz MJJAKJPRNPPJEU-CQSZACIVSA-N 2 0 240.391 1.877 20 0 BDADRP Cc1ccccc1O[C@@H](C)C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422778602 387674706 /nfs/dbraw/zinc/67/47/06/387674706.db2.gz AUYJLPKKPLGBMG-QWHCGFSZSA-N 2 0 248.370 1.960 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1NCCC[NH+]1CCCC1 ZINC000422776913 387675914 /nfs/dbraw/zinc/67/59/14/387675914.db2.gz BEWMJCSZOFPXPC-OLZOCXBDSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000422780563 387678345 /nfs/dbraw/zinc/67/83/45/387678345.db2.gz KIZAVDJXCZAMKT-XDQVBPFNSA-N 2 0 239.407 1.589 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+]C2CC[NH2+]CC2)C12CCC2 ZINC000422779441 387678427 /nfs/dbraw/zinc/67/84/27/387678427.db2.gz ISXZPFKVGDOLKA-STQMWFEESA-N 2 0 238.375 1.676 20 0 BDADRP C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)[C@H]1CCC[NH2+]1 ZINC000422779641 387679303 /nfs/dbraw/zinc/67/93/03/387679303.db2.gz IOQCBBJTFLFKOX-CLPYTZEMSA-N 2 0 238.375 1.530 20 0 BDADRP C[C@@H](N[C@@H](C)CC[NH+](C)C)[C@H]1CCC[NH2+]1 ZINC000422782437 387680870 /nfs/dbraw/zinc/68/08/70/387680870.db2.gz MYVDPHLNIOTCHM-QJPTWQEYSA-N 2 0 213.369 1.057 20 0 BDADRP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)C[C@H](C)O ZINC000422783809 387683850 /nfs/dbraw/zinc/68/38/50/387683850.db2.gz NGNURYYVFSOICH-VOAKCMCISA-N 2 0 228.380 1.514 20 0 BDADRP C[C@@H](CN[C@H]1CC[NH2+]CC[C@H]1C)[N@H+](C)C1CC1 ZINC000422743256 387688831 /nfs/dbraw/zinc/68/88/31/387688831.db2.gz RFEHUNWBAVOESV-DYEKYZERSA-N 2 0 239.407 1.447 20 0 BDADRP C[C@@H](N[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422743780 387689025 /nfs/dbraw/zinc/68/90/25/387689025.db2.gz RVJYPWFCLFLZBD-DYEKYZERSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@H](Cc1ccccc1F)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422744469 387690775 /nfs/dbraw/zinc/69/07/75/387690775.db2.gz WDCKTYUMNSXSRG-GHMZBOCLSA-N 2 0 236.334 1.954 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCc1ccccc1 ZINC000422744016 387690961 /nfs/dbraw/zinc/69/09/61/387690961.db2.gz JONWPIXMNGEBLW-RYUDHWBXSA-N 2 0 206.333 1.945 20 0 BDADRP CC[C@H]([NH2+]C[C@@H](C)C[C@@H](C)O)[C@@H]1CCC[NH2+]1 ZINC000422792516 387692259 /nfs/dbraw/zinc/69/22/59/387692259.db2.gz XCWWCCBTHGSHMB-RNJOBUHISA-N 2 0 228.380 1.514 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1NCC[N@@H+]1CCCC[C@H]1C ZINC000422862913 387743209 /nfs/dbraw/zinc/74/32/09/387743209.db2.gz OECOOLQGXNDCLW-MGPQQGTHSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000422859744 387745373 /nfs/dbraw/zinc/74/53/73/387745373.db2.gz KFOIGPKWTNXLPZ-XUXIUFHCSA-N 2 0 241.423 1.965 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)C1C[NH2+]C1)N(C)c1ccccc1 ZINC000422866943 387747804 /nfs/dbraw/zinc/74/78/04/387747804.db2.gz RFNPLUYCEHWJNC-OLZOCXBDSA-N 2 0 247.386 1.709 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@]1(C)CCCS1 ZINC000422873051 387752319 /nfs/dbraw/zinc/75/23/19/387752319.db2.gz JPWNHOBGPIPSTR-GARJFASQSA-N 2 0 216.394 1.988 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)CC2(C[NH3+])CC2)cc1 ZINC000422874593 387752480 /nfs/dbraw/zinc/75/24/80/387752480.db2.gz NTUPHZUMFZFNML-SNVBAGLBSA-N 2 0 247.342 1.774 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)CCCO)[C@@H]1CCC[NH2+]1 ZINC000422874906 387753274 /nfs/dbraw/zinc/75/32/74/387753274.db2.gz OFLJTULDWGEPIP-SRVKXCTJSA-N 2 0 214.353 1.268 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000422873315 387753435 /nfs/dbraw/zinc/75/34/35/387753435.db2.gz KZKOYQCRYSZTAB-ZPFDUUQYSA-N 2 0 225.380 1.185 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C2CC([NH+](C)C)C2)CCO1 ZINC000521460740 387753819 /nfs/dbraw/zinc/75/38/19/387753819.db2.gz LELZDPJWMQDENI-JYBOHDQNSA-N 2 0 212.337 1.236 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000422793342 387696911 /nfs/dbraw/zinc/69/69/11/387696911.db2.gz XZTCFHUNCSWIKR-MQYQWHSLSA-N 2 0 240.391 1.515 20 0 BDADRP C(C1CCCC1)[N@@H+]1CC[C@@H](N[C@@H]2CC[NH2+]C2)C1 ZINC000422796377 387698348 /nfs/dbraw/zinc/69/83/48/387698348.db2.gz JEKQIWGGQYENJV-ZIAGYGMSSA-N 2 0 237.391 1.202 20 0 BDADRP Cc1nc(C)c(C[NH2+]C[C@@H]2CCCN2C)s1 ZINC000123458654 387699068 /nfs/dbraw/zinc/69/90/68/387699068.db2.gz BVGKTAXPOQMEHW-NSHDSACASA-N 2 0 239.388 1.944 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1n1cccn1)C1C[NH2+]C1 ZINC000422805107 387702187 /nfs/dbraw/zinc/70/21/87/387702187.db2.gz GGMNNLXWUVJLDL-IACUBPJLSA-N 2 0 248.374 1.564 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CCC[C@@H]1[NH3+])C(C)C ZINC000422807536 387704954 /nfs/dbraw/zinc/70/49/54/387704954.db2.gz MOQXIGAUPATXOO-GARJFASQSA-N 2 0 200.326 1.127 20 0 BDADRP CN(CC[NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000422805440 387705017 /nfs/dbraw/zinc/70/50/17/387705017.db2.gz GUIGMDFPLPIPNW-UKRRQHHQSA-N 2 0 247.386 1.840 20 0 BDADRP CC(C)C[C@@H](CCO)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422805515 387705309 /nfs/dbraw/zinc/70/53/09/387705309.db2.gz JGVRGZYESFFZFT-BFHYXJOUSA-N 2 0 242.407 1.761 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1NCC[NH+]1CCCCC1 ZINC000422808649 387708822 /nfs/dbraw/zinc/70/88/22/387708822.db2.gz LHKGKYXMFHNENW-OLZOCXBDSA-N 2 0 225.380 1.060 20 0 BDADRP CCO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000527782540 387709529 /nfs/dbraw/zinc/70/95/29/387709529.db2.gz FVUWMFVFFDIKHV-RQJABVFESA-N 2 0 238.375 1.770 20 0 BDADRP CCO[C@H](CC[NH2+][C@H]1CCC[C@H]1[NH3+])C(C)C ZINC000422813793 387711579 /nfs/dbraw/zinc/71/15/79/387711579.db2.gz SKSSUCUVEUCEPH-FRRDWIJNSA-N 2 0 228.380 1.907 20 0 BDADRP Cc1nc(CC[NH2+][C@@H](C)C[C@H](C)[NH3+])cs1 ZINC000422821906 387718477 /nfs/dbraw/zinc/71/84/77/387718477.db2.gz ZEQWAXABDCBPON-IUCAKERBSA-N 2 0 227.377 1.709 20 0 BDADRP CC[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cnn(C)c1 ZINC000643522606 387719027 /nfs/dbraw/zinc/71/90/27/387719027.db2.gz PWXRXQRFHCDZCP-STQMWFEESA-N 2 0 236.363 1.603 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cccc(CO)c1 ZINC000643522434 387719915 /nfs/dbraw/zinc/71/99/15/387719915.db2.gz NAOVSHFCERQLPY-WFASDCNBSA-N 2 0 248.370 1.972 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(N(C)C)nc1 ZINC000422825387 387720655 /nfs/dbraw/zinc/72/06/55/387720655.db2.gz ACYVJIXSSUEXIC-MNOVXSKESA-N 2 0 236.363 1.363 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CCC[C@H]2[NH3+])CCCC[C@H]1O ZINC000422823364 387720797 /nfs/dbraw/zinc/72/07/97/387720797.db2.gz LJCPFGUSRQNEKY-FDYHWXHSSA-N 2 0 226.364 1.397 20 0 BDADRP C[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000422826224 387721065 /nfs/dbraw/zinc/72/10/65/387721065.db2.gz BWYITTKGILZKKP-YRGRVCCFSA-N 2 0 237.391 1.201 20 0 BDADRP CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)C1CC1 ZINC000127774319 387725838 /nfs/dbraw/zinc/72/58/38/387725838.db2.gz IGVAXLXZMSWORQ-JSGCOSHPSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000422834284 387726368 /nfs/dbraw/zinc/72/63/68/387726368.db2.gz NREZZSVEPVHBOF-DYEKYZERSA-N 2 0 237.391 1.058 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]C[C@]1(N(C)C)CCSC1 ZINC000422832519 387726531 /nfs/dbraw/zinc/72/65/31/387726531.db2.gz XVMKAYIHYCXSFU-NWDGAFQWSA-N 2 0 245.436 1.141 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000422834288 387726750 /nfs/dbraw/zinc/72/67/50/387726750.db2.gz NREZZSVEPVHBOF-YRGRVCCFSA-N 2 0 237.391 1.058 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C)Cc1ccncc1 ZINC000422832821 387726847 /nfs/dbraw/zinc/72/68/47/387726847.db2.gz GDSSAGYDJFEBHU-TUAOUCFPSA-N 2 0 221.348 1.728 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])N[C@H](C)C[NH+]1CCCCC1 ZINC000422838090 387728981 /nfs/dbraw/zinc/72/89/81/387728981.db2.gz VZTUCJMTGTXXLE-YNEHKIRRSA-N 2 0 227.396 1.576 20 0 BDADRP Cc1c([C@H](C)[NH2+][C@H](C)C[C@H](C)[NH3+])cnn1C ZINC000422837904 387729205 /nfs/dbraw/zinc/72/92/05/387729205.db2.gz VRYPIAROHYQKHR-AEJSXWLSSA-N 2 0 224.352 1.505 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000643523846 387732731 /nfs/dbraw/zinc/73/27/31/387732731.db2.gz BHRCSWZZHQFMBG-IUODEOHRSA-N 3 0 245.370 1.507 20 0 BDADRP CC[N@H+](C)CCN[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000128028880 387733856 /nfs/dbraw/zinc/73/38/56/387733856.db2.gz VYFCIXVTBBAKCF-CHWSQXEVSA-N 2 0 225.380 1.155 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128054689 387734839 /nfs/dbraw/zinc/73/48/39/387734839.db2.gz SSCZUFZLJGZCTH-UPJWGTAASA-N 2 0 226.364 1.364 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000422850297 387734955 /nfs/dbraw/zinc/73/49/55/387734955.db2.gz CVUFHLCWFHOKLO-FRRDWIJNSA-N 2 0 239.407 1.719 20 0 BDADRP C[C@H](NCCC[NH+]1CCC(C)CC1)C1C[NH2+]C1 ZINC000422790061 387735152 /nfs/dbraw/zinc/73/51/52/387735152.db2.gz UPZUJZJFJUHSOH-ZDUSSCGKSA-N 2 0 239.407 1.306 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1CCCS1 ZINC000422878480 387755928 /nfs/dbraw/zinc/75/59/28/387755928.db2.gz TWWNFQHZKKZRAG-IVZWLZJFSA-N 2 0 202.367 1.597 20 0 BDADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@H]1CC12CC2 ZINC000527863781 387737997 /nfs/dbraw/zinc/73/79/97/387737997.db2.gz JCQHCWHZGUTTPC-NWDGAFQWSA-N 2 0 238.375 1.221 20 0 BDADRP C[N@H+](CCCO)C1CC[NH+](CC2CCC2)CC1 ZINC000441395358 387756024 /nfs/dbraw/zinc/75/60/24/387756024.db2.gz ODAKDYCZCOYMMP-UHFFFAOYSA-N 2 0 240.391 1.565 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cccnc1N(C)C ZINC000422859068 387740487 /nfs/dbraw/zinc/74/04/87/387740487.db2.gz JPAKVDVUSRFTBN-MNOVXSKESA-N 2 0 236.363 1.363 20 0 BDADRP C[C@H]([NH3+])C[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000643527388 387762267 /nfs/dbraw/zinc/76/22/67/387762267.db2.gz LZCIKTYABCDMAI-ZDEQEGDKSA-N 2 0 226.364 1.519 20 0 BDADRP CCCCO[C@@H]1C[C@H]([NH2+]C[C@H](C)[NH3+])C1(C)C ZINC000643527580 387764745 /nfs/dbraw/zinc/76/47/45/387764745.db2.gz OSVKSTPKAZYHHA-SDDRHHMPSA-N 2 0 228.380 1.907 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000422897807 387765896 /nfs/dbraw/zinc/76/58/96/387765896.db2.gz CXBHBOLGZQBFBY-JHJVBQTASA-N 2 0 225.380 1.330 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCCN1C)c1cnccc1N ZINC000422898005 387765961 /nfs/dbraw/zinc/76/59/61/387765961.db2.gz DGVXZGUHNBMAOG-MNOVXSKESA-N 2 0 234.347 1.239 20 0 BDADRP CC[C@@H]([NH2+]C[C@H]1CCOC1)[C@@H]1CCC[NH2+]1 ZINC000422904105 387767658 /nfs/dbraw/zinc/76/76/58/387767658.db2.gz WZRDWYUNYZHBDX-UTUOFQBUSA-N 2 0 212.337 1.143 20 0 BDADRP CC(C)N1C[C@H]([NH2+][C@H](C)CCCC[NH3+])CC1=O ZINC000422918990 387775769 /nfs/dbraw/zinc/77/57/69/387775769.db2.gz JIWZYBISKGCPBW-VXGBXAGGSA-N 2 0 241.379 1.103 20 0 BDADRP C[C@H]([NH3+])C[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000643529677 387777033 /nfs/dbraw/zinc/77/70/33/387777033.db2.gz LPWGKVHBZXPBJV-SMDDNHRTSA-N 2 0 218.344 1.871 20 0 BDADRP C[C@@H]([NH3+])C[NH2+][C@@H](C)CCCc1cccnc1 ZINC000643529716 387778004 /nfs/dbraw/zinc/77/80/04/387778004.db2.gz QIBALCDLDYVPFS-NEPJUHHUSA-N 2 0 221.348 1.730 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000422932982 387780878 /nfs/dbraw/zinc/78/08/78/387780878.db2.gz CWRMTUAVRJEYGZ-PWSUYJOCSA-N 2 0 236.363 1.894 20 0 BDADRP CN(C)C(=O)CCC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422931433 387782086 /nfs/dbraw/zinc/78/20/86/387782086.db2.gz BRTKOBKKBWFLCF-NEPJUHHUSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@@H]([NH2+]CCOc1cccc(F)c1)C1C[NH2+]C1 ZINC000422946097 387784598 /nfs/dbraw/zinc/78/45/98/387784598.db2.gz OKDPOIYMUGMQCS-SNVBAGLBSA-N 2 0 238.306 1.402 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000422899950 387785413 /nfs/dbraw/zinc/78/54/13/387785413.db2.gz INZKNYQZDDFTNG-TUAOUCFPSA-N 2 0 243.395 1.240 20 0 BDADRP C[C@@H](C[C@H]1CCCO1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422902764 387787668 /nfs/dbraw/zinc/78/76/68/387787668.db2.gz NMBNHLHZJBMVRC-BEUHCMRWSA-N 2 0 238.375 1.817 20 0 BDADRP CCCC(O)(CCC)C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422979165 387789481 /nfs/dbraw/zinc/78/94/81/387789481.db2.gz LNTUONDHSRUYIX-NSHDSACASA-N 2 0 228.380 1.515 20 0 BDADRP CS[C@@H](CO)[C@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422977104 387789540 /nfs/dbraw/zinc/78/95/40/387789540.db2.gz JLXCRKCHAWZTFP-XKGSQUFQSA-N 2 0 246.420 1.206 20 0 BDADRP CCC[N@@H+]1CC[C@H](CN[C@H]2CCC[C@@H]2[NH3+])C1 ZINC000422978534 387789864 /nfs/dbraw/zinc/78/98/64/387789864.db2.gz ZNMGWQDNXFYPGQ-AGIUHOORSA-N 2 0 225.380 1.188 20 0 BDADRP Cc1ccsc1[C@H](CO)[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422988063 387798093 /nfs/dbraw/zinc/79/80/93/387798093.db2.gz HZZJEGRBTZXNHF-VWYCJHECSA-N 2 0 242.388 1.805 20 0 BDADRP CC[C@H](C[C@H](C)CO)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422989308 387798881 /nfs/dbraw/zinc/79/88/81/387798881.db2.gz AVRMMBBQTQFQQL-RJZJGCCBSA-N 2 0 242.407 1.891 20 0 BDADRP COCCC1(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000422992078 387799411 /nfs/dbraw/zinc/79/94/11/387799411.db2.gz QQONRAFHMUEMQC-QWHCGFSZSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@H]([NH2+]CC1(CCO)CCC1)[C@H]1CCCC[NH2+]1 ZINC000422991831 387801005 /nfs/dbraw/zinc/80/10/05/387801005.db2.gz QEIVMLVFRSECMT-QWHCGFSZSA-N 2 0 240.391 1.659 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000422994210 387801818 /nfs/dbraw/zinc/80/18/18/387801818.db2.gz UXAGCQBLODCKIG-QJPTWQEYSA-N 2 0 213.369 1.044 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(CCO)CCC1 ZINC000422994787 387803124 /nfs/dbraw/zinc/80/31/24/387803124.db2.gz WFKTWHRNJMUDAA-CHWSQXEVSA-N 2 0 240.391 1.517 20 0 BDADRP CC(C)[C@@H](O)C(C)(C)C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000423000967 387805329 /nfs/dbraw/zinc/80/53/29/387805329.db2.gz HFCNATALJZWCST-ZYHUDNBSSA-N 2 0 228.380 1.227 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](CO)CC(C)(C)C ZINC000423000952 387805886 /nfs/dbraw/zinc/80/58/86/387805886.db2.gz WJMCEWJEIOBXFX-DCAQKATOSA-N 2 0 216.369 1.499 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCOC1CCCCC1 ZINC000422949162 387806661 /nfs/dbraw/zinc/80/66/61/387806661.db2.gz UFTWFYSCHANXEM-STQMWFEESA-N 2 0 226.364 1.805 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000423001995 387807415 /nfs/dbraw/zinc/80/74/15/387807415.db2.gz FNGYGIOXNILQJO-SYQHCUMBSA-N 2 0 240.391 1.515 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)[NH3+])C1(CC)CC ZINC000643526637 387757288 /nfs/dbraw/zinc/75/72/88/387757288.db2.gz CQVIHYBTMKDOHI-SDDRHHMPSA-N 2 0 228.380 1.907 20 0 BDADRP CC(C)[N@@H+](C)CCN[C@H](C)C[C@@H](C)[NH3+] ZINC000422880424 387757721 /nfs/dbraw/zinc/75/77/21/387757721.db2.gz OBCGODZNFONGFB-GHMZBOCLSA-N 2 0 201.358 1.042 20 0 BDADRP C[C@H]([NH2+]C[C@@]1(C)CCCS1)C1C[NH2+]C1 ZINC000422882278 387757790 /nfs/dbraw/zinc/75/77/90/387757790.db2.gz ZVUDBWDYSBZFFD-GXSJLCMTSA-N 2 0 214.378 1.470 20 0 BDADRP COc1cccc2c1CC[C@H]2[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422882846 387757993 /nfs/dbraw/zinc/75/79/93/387757993.db2.gz BDNVYGYGJCVLEJ-IINYFYTJSA-N 2 0 246.354 1.880 20 0 BDADRP CC[N@H+](CCN[C@H]1CC[NH2+]CC[C@H]1C)C(C)C ZINC000422885942 387759277 /nfs/dbraw/zinc/75/92/77/387759277.db2.gz ZPAWDGGXORLVIB-KGLIPLIRSA-N 2 0 241.423 1.694 20 0 BDADRP COCCC1(C[NH2+][C@H](C)C[C@@H](C)[NH3+])CCC1 ZINC000422887955 387759418 /nfs/dbraw/zinc/75/94/18/387759418.db2.gz LUOVBETXPCDZCK-VXGBXAGGSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000422887897 387761170 /nfs/dbraw/zinc/76/11/70/387761170.db2.gz LPWKZSLJCCYRNH-XDQVBPFNSA-N 2 0 241.423 1.965 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCc1ccccc1O ZINC000422972315 387821120 /nfs/dbraw/zinc/82/11/20/387821120.db2.gz KZQAVHPNUALONM-CHWSQXEVSA-N 2 0 234.343 1.652 20 0 BDADRP CC(C)[C@H]1OCC[C@H]1C[NH2+][C@H](C)CCC[NH3+] ZINC000422972136 387821637 /nfs/dbraw/zinc/82/16/37/387821637.db2.gz ZPIZYDPVXHGWIN-FRRDWIJNSA-N 2 0 228.380 1.765 20 0 BDADRP CC[C@H]([NH2+]C[C@@H](C)CO)[C@@H]1CCCC[NH2+]1 ZINC000422971512 387821963 /nfs/dbraw/zinc/82/19/63/387821963.db2.gz IVOSXLALHNFGJT-WOPDTQHZSA-N 2 0 214.353 1.125 20 0 BDADRP C[NH+](C)[C@@H]1CCC[N@H+](CC[C@@H]2CCOC2)CC1 ZINC000432795372 387822202 /nfs/dbraw/zinc/82/22/02/387822202.db2.gz WLPRXZIGDZLZMW-ZIAGYGMSSA-N 2 0 240.391 1.829 20 0 BDADRP CCCC(O)(CCC)C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422975005 387824221 /nfs/dbraw/zinc/82/42/21/387824221.db2.gz GCCUQIVGAIJADV-RYUDHWBXSA-N 2 0 228.380 1.787 20 0 BDADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]C1CC[NH2+]CC1 ZINC000422974277 387824390 /nfs/dbraw/zinc/82/43/90/387824390.db2.gz QTNSTEPANUPMCL-NSHDSACASA-N 2 0 234.343 1.665 20 0 BDADRP COC[C@H](C)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567110349 387824833 /nfs/dbraw/zinc/82/48/33/387824833.db2.gz AEODSVSDQFAYOH-CHWSQXEVSA-N 2 0 226.364 1.344 20 0 BDADRP C[C@H](Cc1ccoc1)[NH2+]C1CC[NH2+]CC1 ZINC000423004779 387825319 /nfs/dbraw/zinc/82/53/19/387825319.db2.gz KSCGBHAVNFCVLH-SNVBAGLBSA-N 2 0 208.305 1.552 20 0 BDADRP CCC[C@H](CCO)C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000423004145 387825445 /nfs/dbraw/zinc/82/54/45/387825445.db2.gz JIFHZHQLVICQEJ-MGPQQGTHSA-N 2 0 242.407 1.763 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[C@H](O)C1)[C@H]1CCC[NH2+]1 ZINC000423005038 387825793 /nfs/dbraw/zinc/82/57/93/387825793.db2.gz LOEZCUDIMHPADK-ZDEQEGDKSA-N 2 0 226.364 1.268 20 0 BDADRP CCC[C@@H](CCO)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423005209 387827107 /nfs/dbraw/zinc/82/71/07/387827107.db2.gz LVRGVUPQFUATLO-AGIUHOORSA-N 2 0 228.380 1.515 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H](CO)c1ccccc1 ZINC000423007345 387827908 /nfs/dbraw/zinc/82/79/08/387827908.db2.gz QKEGYXHMKDETCC-OCCSQVGLSA-N 2 0 236.359 1.480 20 0 BDADRP CCC(CC)(CO)C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000423006828 387828158 /nfs/dbraw/zinc/82/81/58/387828158.db2.gz WNNLXXSKKAEIAU-OLZOCXBDSA-N 2 0 242.407 1.763 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCCC(C)(C)CO ZINC000423006082 387828607 /nfs/dbraw/zinc/82/86/07/387828607.db2.gz NXUVPZJUWLEPAO-GHMZBOCLSA-N 2 0 216.369 1.501 20 0 BDADRP CC[NH2+]CCNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000151381519 387833170 /nfs/dbraw/zinc/83/31/70/387833170.db2.gz HFAJQVSQUWEGLT-NWDGAFQWSA-N 2 0 241.379 1.010 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCNc1ccccn1 ZINC000423010827 387833289 /nfs/dbraw/zinc/83/32/89/387833289.db2.gz YNXBKQPGMXJUKM-GHMZBOCLSA-N 2 0 222.336 1.209 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCNc1ccccn1 ZINC000423011386 387833636 /nfs/dbraw/zinc/83/36/36/387833636.db2.gz ZKJRVUKDJYKRML-QWHCGFSZSA-N 2 0 248.374 1.743 20 0 BDADRP CCC[C@H](CCO)C[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000423011373 387833860 /nfs/dbraw/zinc/83/38/60/387833860.db2.gz ZIYSLBWQQXKYSJ-RDBSUJKOSA-N 2 0 242.407 1.905 20 0 BDADRP CC(C)[C@H](O)C1(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000423011185 387833944 /nfs/dbraw/zinc/83/39/44/387833944.db2.gz APROJLBOGHVRNY-AGIUHOORSA-N 2 0 240.391 1.501 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)[C@@H]1CCCCO1 ZINC000643479107 387835575 /nfs/dbraw/zinc/83/55/75/387835575.db2.gz RAILPWMEATYOJL-CRWXNKLISA-N 2 0 240.391 1.922 20 0 BDADRP CC[C@@H](CSC)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423012441 387836444 /nfs/dbraw/zinc/83/64/44/387836444.db2.gz DAZBXTIJMIMIDN-DCAQKATOSA-N 2 0 216.394 1.858 20 0 BDADRP C[C@H]([NH2+]CCSCC(F)(F)F)C1C[NH2+]C1 ZINC000423013190 387837018 /nfs/dbraw/zinc/83/70/18/387837018.db2.gz FJQNPMMZCUFMTG-ZETCQYMHSA-N 2 0 242.310 1.479 20 0 BDADRP CCc1cnccc1[C@H](C)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000423015418 387838226 /nfs/dbraw/zinc/83/82/26/387838226.db2.gz KTARGGJSOOCMIX-QWRGUYRKSA-N 2 0 233.359 1.903 20 0 BDADRP C[C@@H]([NH2+]CC1(C)Cc2ccccc2C1)C1C[NH2+]C1 ZINC000423015833 387838912 /nfs/dbraw/zinc/83/89/12/387838912.db2.gz LJCYHHXWHZJZMH-GFCCVEGCSA-N 2 0 244.382 1.989 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(N(C)C)n1 ZINC000423015960 387839626 /nfs/dbraw/zinc/83/96/26/387839626.db2.gz RYLNROVSSUHYDC-MNOVXSKESA-N 2 0 236.363 1.363 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)CCC[NH3+])[C@@H]1CCCO1 ZINC000423016807 387841872 /nfs/dbraw/zinc/84/18/72/387841872.db2.gz UPBTZZRFAXTNHG-SRVKXCTJSA-N 2 0 214.353 1.661 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)cn1 ZINC000423018917 387842025 /nfs/dbraw/zinc/84/20/25/387842025.db2.gz SKAZJPMEVAGXQO-SKDRFNHKSA-N 2 0 239.750 1.952 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000423026874 387843381 /nfs/dbraw/zinc/84/33/81/387843381.db2.gz CKGZBKAQRZFRGA-BJDJZHNGSA-N 2 0 213.369 1.185 20 0 BDADRP C[C@H](Cc1ccoc1)[NH2+][C@@H]1CCCN(C)C1 ZINC000648432497 387844826 /nfs/dbraw/zinc/84/48/26/387844826.db2.gz OWPJCEXGNQBQNJ-DGCLKSJQSA-N 2 0 222.332 1.894 20 0 BDADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CCO1 ZINC000423030450 387846887 /nfs/dbraw/zinc/84/68/87/387846887.db2.gz JUVSESYGVVNYLC-AAVRWANBSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCC[C@H]2C[NH3+])CCO1 ZINC000423030451 387847248 /nfs/dbraw/zinc/84/72/48/387847248.db2.gz JUVSESYGVVNYLC-MQYQWHSLSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1cncc(F)c1 ZINC000423032883 387849302 /nfs/dbraw/zinc/84/93/02/387849302.db2.gz NJOKIKFPTBCUOC-UWVGGRQHSA-N 2 0 225.311 1.999 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CCCO1)[C@H]1CCC[NH2+]1 ZINC000643459641 387849993 /nfs/dbraw/zinc/84/99/93/387849993.db2.gz JRLRORFDHSTJDT-IJLUTSLNSA-N 2 0 212.337 1.286 20 0 BDADRP CC[C@@H]1CCC[C@@H]1[NH2+]CCOCC[NH2+]C ZINC000629529353 387874023 /nfs/dbraw/zinc/87/40/23/387874023.db2.gz AJFOYDUBOQDQGY-NEPJUHHUSA-N 2 0 214.353 1.391 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423036463 387851090 /nfs/dbraw/zinc/85/10/90/387851090.db2.gz UBNAFXKIAGYCOT-FIQHERPVSA-N 2 0 214.353 1.124 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)C[C@@H](C)O)[C@@H]1CCC[NH2+]1 ZINC000423037518 387851398 /nfs/dbraw/zinc/85/13/98/387851398.db2.gz WDVPKKQCRSXAGJ-USZNOCQGSA-N 2 0 214.353 1.266 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000423034960 387851656 /nfs/dbraw/zinc/85/16/56/387851656.db2.gz QXKCFUYWCPCEJD-ZIAGYGMSSA-N 3 0 241.423 1.968 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H](C(C)C)C1CC1 ZINC000629529367 387874105 /nfs/dbraw/zinc/87/41/05/387874105.db2.gz APSTWCMEAWIGGB-LBPRGKRZSA-N 2 0 214.353 1.247 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1ccncc1 ZINC000643460368 387874109 /nfs/dbraw/zinc/87/41/09/387874109.db2.gz WIPJVWSZUGCAER-MRVWCRGKSA-N 2 0 233.359 1.902 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC[C@@H]1CCCCO1 ZINC000423043584 387854608 /nfs/dbraw/zinc/85/46/08/387854608.db2.gz PDZSDXADORFORR-TUAOUCFPSA-N 2 0 214.353 1.661 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCOC(F)(F)F ZINC000423072890 387874913 /nfs/dbraw/zinc/87/49/13/387874913.db2.gz QKBPVQBXVNTADD-NKWVEPMBSA-N 2 0 214.231 1.238 20 0 BDADRP C[C@H](C[NH2+]C1CC(C)(C)C1)N1CC[NH+](C)CC1 ZINC000433115062 387865274 /nfs/dbraw/zinc/86/52/74/387865274.db2.gz HPBMLOBSOSSWLD-GFCCVEGCSA-N 2 0 239.407 1.401 20 0 BDADRP CN(C)C1(C[NH2+]C2CCC(C[NH3+])CC2)CCC1 ZINC000423063673 387867409 /nfs/dbraw/zinc/86/74/09/387867409.db2.gz XCGKPVQIVHOFAT-UHFFFAOYSA-N 2 0 239.407 1.578 20 0 BDADRP CC[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)[C@@H]1CCC[NH2+]1 ZINC000423062141 387867872 /nfs/dbraw/zinc/86/78/72/387867872.db2.gz MGUSJRLDQOMPPK-RFGFWPKPSA-N 2 0 240.391 1.658 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCOCC(F)F ZINC000423065804 387870608 /nfs/dbraw/zinc/87/06/08/387870608.db2.gz CMSWBSJCEXACQP-NXEZZACHSA-N 2 0 236.306 1.246 20 0 BDADRP CO[C@@H]1CC[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])C1 ZINC000423069038 387871563 /nfs/dbraw/zinc/87/15/63/387871563.db2.gz LIABQFNUOBZGQH-VPOLOUISSA-N 2 0 200.326 1.269 20 0 BDADRP CC[C@H](CN[C@H]1CCC[C@@H]1C[NH3+])[NH+]1CCCC1 ZINC000422962516 387814471 /nfs/dbraw/zinc/81/44/71/387814471.db2.gz FYWOADSPPDODMD-MCIONIFRSA-N 2 0 239.407 1.578 20 0 BDADRP CC[C@H](CN[C@H](C)[C@@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000422964887 387815042 /nfs/dbraw/zinc/81/50/42/387815042.db2.gz MYWUHQHYJYPNBQ-MCIONIFRSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCc1ccc(CO)cc1 ZINC000643478209 387815871 /nfs/dbraw/zinc/81/58/71/387815871.db2.gz FENOVRZHKWHHGT-RYUDHWBXSA-N 2 0 236.359 1.437 20 0 BDADRP COc1ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cn1 ZINC000422967578 387816655 /nfs/dbraw/zinc/81/66/55/387816655.db2.gz UCBOYZXNGYYAMP-VHSXEESVSA-N 2 0 223.320 1.306 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422969258 387819736 /nfs/dbraw/zinc/81/97/36/387819736.db2.gz ZIULBFXMUZZKFW-UONOGXRCSA-N 2 0 241.423 1.966 20 0 BDADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]C[C@H]1CC[C@@H](C)C1 ZINC000423105686 387892198 /nfs/dbraw/zinc/89/21/98/387892198.db2.gz ZHQFCQGEBQHTAS-MBJXGIAVSA-N 2 0 240.391 1.765 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@H]1OC(F)F)[C@H]1CC[NH2+]C1 ZINC000423109505 387892995 /nfs/dbraw/zinc/89/29/95/387892995.db2.gz HIZKPJFOQANXLX-UKKRHICBSA-N 2 0 248.317 1.734 20 0 BDADRP CC(C)[C@@H](CO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423110584 387894097 /nfs/dbraw/zinc/89/40/97/387894097.db2.gz PETATCLGQFPCTO-FKJOKYEKSA-N 2 0 226.364 1.124 20 0 BDADRP C[C@@H]([NH2+]CC1(C(F)(F)F)CCC1)C1C[NH2+]C1 ZINC000423109295 387894213 /nfs/dbraw/zinc/89/42/13/387894213.db2.gz NIMPJHDJUYWTOS-MRVPVSSYSA-N 2 0 236.281 1.917 20 0 BDADRP [NH3+]CC1CCC([NH2+]CCCOC(F)F)CC1 ZINC000423113754 387895696 /nfs/dbraw/zinc/89/56/96/387895696.db2.gz LEGGFJGXXQGFDS-UHFFFAOYSA-N 2 0 236.306 1.723 20 0 BDADRP FC(F)O[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH2+]CC1 ZINC000423114864 387896189 /nfs/dbraw/zinc/89/61/89/387896189.db2.gz MGPUYHYYNMQTJJ-GHMZBOCLSA-N 2 0 248.317 1.878 20 0 BDADRP COCC1(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)CCC1 ZINC000423113189 387896445 /nfs/dbraw/zinc/89/64/45/387896445.db2.gz KLSDIPFLCAPXIC-QWHCGFSZSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C[C@H](O)Cc1ccccc1 ZINC000423112589 387896681 /nfs/dbraw/zinc/89/66/81/387896681.db2.gz SBJKNGHRDXAMTI-YRGRVCCFSA-N 2 0 236.359 1.305 20 0 BDADRP CCC(O)(CC)CC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000423073358 387875016 /nfs/dbraw/zinc/87/50/16/387875016.db2.gz RDWSTJCJWQXVMQ-CHWSQXEVSA-N 2 0 242.407 1.905 20 0 BDADRP CC[C@H]([NH2+]CCC[C@@H](C)O)[C@@H]1CCC[NH2+]1 ZINC000423080973 387876674 /nfs/dbraw/zinc/87/66/74/387876674.db2.gz CBPWLQLEPZPFHP-WOPDTQHZSA-N 2 0 214.353 1.268 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423080298 387877155 /nfs/dbraw/zinc/87/71/55/387877155.db2.gz ZLTNCOBGSBGQLD-KXNHARMFSA-N 2 0 212.337 1.142 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@H](C)C[C@H](C)[NH3+] ZINC000423083348 387879077 /nfs/dbraw/zinc/87/90/77/387879077.db2.gz FWONTDHRZDFYDF-QJPTWQEYSA-N 2 0 215.385 1.432 20 0 BDADRP C[C@@H](O)CCC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423084206 387879357 /nfs/dbraw/zinc/87/93/57/387879357.db2.gz HSCUBWNSOWLDLL-WOPDTQHZSA-N 2 0 214.353 1.268 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCSC1 ZINC000423082912 387879398 /nfs/dbraw/zinc/87/93/98/387879398.db2.gz FEQBEHRTVLWSSP-UTUOFQBUSA-N 2 0 228.405 1.717 20 0 BDADRP C[C@H]([NH2+]C[C@](C)(O)C1CCCCC1)C1C[NH2+]C1 ZINC000423083884 387879477 /nfs/dbraw/zinc/87/94/77/387879477.db2.gz ZJEPPFDPBDLPQO-FZMZJTMJSA-N 2 0 240.391 1.515 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423086220 387881120 /nfs/dbraw/zinc/88/11/20/387881120.db2.gz MKYBVLLMBAHOBN-RDBSUJKOSA-N 2 0 241.423 1.837 20 0 BDADRP CSC1(C[NH2+][C@@H](C)C[C@H](C)[NH3+])CCC1 ZINC000423087715 387881613 /nfs/dbraw/zinc/88/16/13/387881613.db2.gz OTOHXJGDQCNQEV-UWVGGRQHSA-N 2 0 216.394 1.988 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000643540524 387881855 /nfs/dbraw/zinc/88/18/55/387881855.db2.gz NUSIBVMAEPOKFW-HBNTYKKESA-N 2 0 200.326 1.271 20 0 BDADRP CSC1(C[NH2+][C@@H]2CCC[C@H]2[NH3+])CCC1 ZINC000423089888 387882050 /nfs/dbraw/zinc/88/20/50/387882050.db2.gz TZSWVQQZHPSCCE-NXEZZACHSA-N 2 0 214.378 1.742 20 0 BDADRP CSC1(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])CCC1 ZINC000423089891 387882073 /nfs/dbraw/zinc/88/20/73/387882073.db2.gz TZSWVQQZHPSCCE-VHSXEESVSA-N 2 0 214.378 1.742 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@H]1CCCC[C@H]1C[NH3+] ZINC000423090003 387883022 /nfs/dbraw/zinc/88/30/22/387883022.db2.gz WITFDHBGUSQKDM-RDBSUJKOSA-N 2 0 241.423 1.824 20 0 BDADRP COCC1(C[NH2+][C@H](C)C[C@@H](C)[NH3+])CCC1 ZINC000423117073 387898603 /nfs/dbraw/zinc/89/86/03/387898603.db2.gz SUVGTCBJSCTUKQ-GHMZBOCLSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@H](CO)CC1CCCC1 ZINC000423093717 387885546 /nfs/dbraw/zinc/88/55/46/387885546.db2.gz AEJFMFGHJBAZPX-TZMCWYRMSA-N 2 0 242.407 1.892 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000423098512 387886632 /nfs/dbraw/zinc/88/66/32/387886632.db2.gz CYSIRUYQPNAJKG-OLZOCXBDSA-N 2 0 244.342 1.575 20 0 BDADRP CCC[N@@H+]1CCC[C@H]1CN[C@@H]1CCC[C@H]1C[NH3+] ZINC000423104220 387889029 /nfs/dbraw/zinc/88/90/29/387889029.db2.gz GWGVPDXYXLOEDS-MELADBBJSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc[nH]c(=O)c1 ZINC000423139855 387918188 /nfs/dbraw/zinc/91/81/88/387918188.db2.gz WQJMCSYGFCLILZ-MDFVCYEDSA-N 2 0 247.342 1.721 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@H](F)C1)[C@@H]1CCCC[NH2+]1 ZINC000423120082 387900363 /nfs/dbraw/zinc/90/03/63/387900363.db2.gz GEDONRQCRDQJGM-BJDJZHNGSA-N 2 0 214.328 1.997 20 0 BDADRP CC(C)[N@@H+](C)C[C@@H](C)N[C@H](C)C[C@@H](C)[NH3+] ZINC000423119456 387900636 /nfs/dbraw/zinc/90/06/36/387900636.db2.gz CKLIUTQPKVLITO-IJLUTSLNSA-N 2 0 215.385 1.431 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000423118181 387901685 /nfs/dbraw/zinc/90/16/85/387901685.db2.gz ZEANHXQWRHHELM-HOSYDEDBSA-N 2 0 236.363 1.513 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCSC1 ZINC000423119246 387901720 /nfs/dbraw/zinc/90/17/20/387901720.db2.gz DKOSXULDXLWZSM-HBNTYKKESA-N 2 0 214.378 1.599 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000423121491 387901724 /nfs/dbraw/zinc/90/17/24/387901724.db2.gz ILZFNMCWSHMBCX-RWMBFGLXSA-N 2 0 228.380 1.502 20 0 BDADRP COCC(C)(C)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000423127155 387904748 /nfs/dbraw/zinc/90/47/48/387904748.db2.gz JLIFDCIBFGHLIL-UHFFFAOYSA-N 2 0 228.380 1.766 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCc1cn[nH]c1 ZINC000423126619 387904948 /nfs/dbraw/zinc/90/49/48/387904948.db2.gz RYLVSZLXHAZGLU-VXGBXAGGSA-N 2 0 222.336 1.202 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CC[C@H](F)C1 ZINC000423125680 387905240 /nfs/dbraw/zinc/90/52/40/387905240.db2.gz NVVOSTSGDUTHPH-KXNHARMFSA-N 2 0 214.328 1.855 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])C1CC1 ZINC000423126077 387905388 /nfs/dbraw/zinc/90/53/88/387905388.db2.gz APFCDQNFECNUPZ-YNEHKIRRSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](CO)CC1CCC1 ZINC000423130620 387907344 /nfs/dbraw/zinc/90/73/44/387907344.db2.gz MZNBIUXFMOKRCT-CMPLNLGQSA-N 2 0 214.353 1.255 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@H](F)C1)[C@H]1CCC[NH2+]1 ZINC000423130810 387908286 /nfs/dbraw/zinc/90/82/86/387908286.db2.gz SEDNGZQCUDNCLZ-XWLWVQCSSA-N 2 0 200.301 1.607 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@H](F)C1)[C@@H]1CCC[NH2+]1 ZINC000423130407 387908357 /nfs/dbraw/zinc/90/83/57/387908357.db2.gz SEDNGZQCUDNCLZ-NAKRPEOUSA-N 2 0 200.301 1.607 20 0 BDADRP CCC[N@H+](CC)C[C@@H](C)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000423135204 387911759 /nfs/dbraw/zinc/91/17/59/387911759.db2.gz FNNZXLABHVHHKD-BFHYXJOUSA-N 2 0 241.423 1.694 20 0 BDADRP CC[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)C(C)(C)O ZINC000423135299 387914381 /nfs/dbraw/zinc/91/43/81/387914381.db2.gz NLBIWWXCFJQCPK-GMTAPVOTSA-N 2 0 214.353 1.266 20 0 BDADRP COCC1(CC[NH2+][C@@H]2CCC[C@@H]2[NH3+])CCC1 ZINC000423137812 387915499 /nfs/dbraw/zinc/91/54/99/387915499.db2.gz RTBQPXKTILDHCY-NWDGAFQWSA-N 2 0 226.364 1.663 20 0 BDADRP C[C@H](F)CC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000423138926 387915607 /nfs/dbraw/zinc/91/56/07/387915607.db2.gz UKLJPHNWMRVWBD-DCAQKATOSA-N 2 0 202.317 1.712 20 0 BDADRP CCC[N@H+](CC)C[C@@H](C)N[C@H]1CCC[C@H]1C[NH3+] ZINC000423141913 387917590 /nfs/dbraw/zinc/91/75/90/387917590.db2.gz SJBCBHYYYCUREI-RDBSUJKOSA-N 2 0 241.423 1.824 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCC1(F)F ZINC000423154928 387934219 /nfs/dbraw/zinc/93/42/19/387934219.db2.gz PPYXYFNQDCPBGO-BBBLOLIVSA-N 2 0 218.291 1.891 20 0 BDADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[NH3+])C1(O)CCCC1 ZINC000423157869 387936093 /nfs/dbraw/zinc/93/60/93/387936093.db2.gz BTICYTLJJLWTHB-VXGBXAGGSA-N 2 0 240.391 1.787 20 0 BDADRP CC/C=C\C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423157329 387936154 /nfs/dbraw/zinc/93/61/54/387936154.db2.gz MORANAVIZTXPDF-XJGNBYBUSA-N 2 0 238.375 1.699 20 0 BDADRP CCN(C)C(=O)[C@@H]([NH2+][C@@H](C)CCC[NH3+])C(C)C ZINC000423157001 387936909 /nfs/dbraw/zinc/93/69/09/387936909.db2.gz LYKZIYFKPYFSBQ-RYUDHWBXSA-N 2 0 243.395 1.206 20 0 BDADRP C[C@@H]([NH2+][C@@H](CO)C1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000423143532 387920519 /nfs/dbraw/zinc/92/05/19/387920519.db2.gz XBOHWZAOIBTCFG-WXHSDQCUSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCC[C@@H]1F ZINC000423145072 387923052 /nfs/dbraw/zinc/92/30/52/387923052.db2.gz IYMGIZSQADOHFC-OUAUKWLOSA-N 2 0 202.317 1.984 20 0 BDADRP C[C@@H](CCO)CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423146728 387924982 /nfs/dbraw/zinc/92/49/82/387924982.db2.gz QDZDQDRXDVKLHR-WOPDTQHZSA-N 2 0 214.353 1.125 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423148026 387925632 /nfs/dbraw/zinc/92/56/32/387925632.db2.gz DWJVVYZJKPTQCV-NRUFJFEESA-N 2 0 224.348 1.427 20 0 BDADRP C[C@@H](CCCO)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423167051 387952389 /nfs/dbraw/zinc/95/23/89/387952389.db2.gz ZZHMEQGNZCZOEZ-SDDRHHMPSA-N 2 0 214.353 1.125 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)O1 ZINC000423169887 387954499 /nfs/dbraw/zinc/95/44/99/387954499.db2.gz WUZQVCCSKFIOEN-OCIKQUFWSA-N 2 0 224.348 1.427 20 0 BDADRP COc1cccc2c1C[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])C2 ZINC000423170005 387954784 /nfs/dbraw/zinc/95/47/84/387954784.db2.gz KZLKOMMEDWTRQT-NTZNESFSSA-N 2 0 248.370 1.878 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1NCC[N@@H+]1CCCC1(C)C ZINC000423171331 387956672 /nfs/dbraw/zinc/95/66/72/387956672.db2.gz ZVABEJWSWUQHHJ-OLZOCXBDSA-N 2 0 239.407 1.448 20 0 BDADRP CC[C@H](C)C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000245528377 387955162 /nfs/dbraw/zinc/95/51/62/387955162.db2.gz DVXYWQZCEJVORA-KBPBESRZSA-N 2 0 242.407 1.859 20 0 BDADRP CC[N@H+](C)CCNc1nc2ccccc2n1C ZINC000079046934 387938036 /nfs/dbraw/zinc/93/80/36/387938036.db2.gz BGYZKYZTGXVARF-UHFFFAOYSA-N 2 0 232.331 1.937 20 0 BDADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]2[NH3+])C1 ZINC000423159194 387939057 /nfs/dbraw/zinc/93/90/57/387939057.db2.gz FMZTYCOWCVHJIY-KXNHARMFSA-N 2 0 212.337 1.412 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000423158763 387939556 /nfs/dbraw/zinc/93/95/56/387939556.db2.gz DFBZLVUDGNMGNN-UWVGGRQHSA-N 2 0 218.291 1.891 20 0 BDADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)[C@H]1CCC[NH2+]1 ZINC000423160085 387941247 /nfs/dbraw/zinc/94/12/47/387941247.db2.gz GUSMCLZFDRIIEQ-TZMCWYRMSA-N 3 0 239.407 1.591 20 0 BDADRP CC1(C)CCC[N@@H+]1CCN[C@H]1CCC[C@H]1C[NH3+] ZINC000423160404 387941469 /nfs/dbraw/zinc/94/14/69/387941469.db2.gz HCTHRZFOHAOHSK-STQMWFEESA-N 2 0 239.407 1.578 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)CC2(C[NH3+])CC2)c1 ZINC000424235959 387941800 /nfs/dbraw/zinc/94/18/00/387941800.db2.gz IXOIRWSPYFSJBK-UHFFFAOYSA-N 2 0 247.342 1.521 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC[C@@H](CO)C1)[C@H]1CCCC[NH2+]1 ZINC000423161158 387943527 /nfs/dbraw/zinc/94/35/27/387943527.db2.gz RLZUYJMDWKIIPY-FVCCEPFGSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@@H](CO)C1)[C@@H]1CCCC[NH2+]1 ZINC000423161161 387944430 /nfs/dbraw/zinc/94/44/30/387944430.db2.gz RLZUYJMDWKIIPY-RNJOBUHISA-N 2 0 226.364 1.268 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000423163119 387946251 /nfs/dbraw/zinc/94/62/51/387946251.db2.gz QTEPXAWQKDQFSW-RHYQMDGZSA-N 2 0 212.337 1.007 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCC[C@H]1CCOC1 ZINC000423163656 387946690 /nfs/dbraw/zinc/94/66/90/387946690.db2.gz RFOATUAFLMFXKC-SRVKXCTJSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCCO1 ZINC000423164566 387947342 /nfs/dbraw/zinc/94/73/42/387947342.db2.gz WXQAPKIGNZUZBM-TUAOUCFPSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H](CC(C)(C)O)[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000423165447 387947422 /nfs/dbraw/zinc/94/74/22/387947422.db2.gz XXTJBVLGEKRCCY-UTUOFQBUSA-N 2 0 228.380 1.514 20 0 BDADRP C[C@H](NCc1ccc2c[nH+]cn2c1)[C@H]1CCC[NH2+]1 ZINC000423172556 387960128 /nfs/dbraw/zinc/96/01/28/387960128.db2.gz UCUDCLHGSYKQHT-SMDDNHRTSA-N 2 0 244.342 1.564 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCCCCF ZINC000424302042 387962180 /nfs/dbraw/zinc/96/21/80/387962180.db2.gz YUOMDMVCGXVSMI-GHMZBOCLSA-N 2 0 202.317 1.986 20 0 BDADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)C(C)(C)C ZINC000423175012 387962792 /nfs/dbraw/zinc/96/27/92/387962792.db2.gz CPDPDJRFGQLJCD-GFCCVEGCSA-N 2 0 227.396 1.306 20 0 BDADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)C1CCCC1 ZINC000423179592 387965157 /nfs/dbraw/zinc/96/51/57/387965157.db2.gz MQDIZHRNBNQQRW-ZDUSSCGKSA-N 2 0 239.407 1.450 20 0 BDADRP CC(C)O[C@H]1C[C@H]([NH2+]CCC[NH3+])C1(C)C ZINC000423179389 387965246 /nfs/dbraw/zinc/96/52/46/387965246.db2.gz CZUSIIDHORQBSF-QWRGUYRKSA-N 2 0 214.353 1.517 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CCC[C@@H](CO)C1)[C@@H]1CCC[NH2+]1 ZINC000423179764 387965364 /nfs/dbraw/zinc/96/53/64/387965364.db2.gz KCSGHMIURRYGHI-MQYQWHSLSA-N 2 0 240.391 1.658 20 0 BDADRP C[C@H]([NH2+]CC1([NH3+])CCCCC1)[C@H]1CCCO1 ZINC000423181283 387967452 /nfs/dbraw/zinc/96/74/52/387967452.db2.gz OQDPSUPPYYXJLU-NWDGAFQWSA-N 2 0 226.364 1.805 20 0 BDADRP CC[C@H]([NH2+]CCCN1CC[NH2+]CC1)C1CCC1 ZINC000423182361 387967612 /nfs/dbraw/zinc/96/76/12/387967612.db2.gz KEQPCERYRMGONI-AWEZNQCLSA-N 2 0 239.407 1.450 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000423182890 387967895 /nfs/dbraw/zinc/96/78/95/387967895.db2.gz LXZRRTVNPXISBL-IJLUTSLNSA-N 2 0 238.331 1.479 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])[C@@H](C)O1 ZINC000423182296 387968562 /nfs/dbraw/zinc/96/85/62/387968562.db2.gz LKQZNOZQHHJJKU-RKQHYHRCSA-N 2 0 240.391 1.907 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1F ZINC000423184134 387969654 /nfs/dbraw/zinc/96/96/54/387969654.db2.gz MZQOGNPKKOLENL-LMLFDSFASA-N 2 0 202.317 1.983 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NCC1([NH3+])CCCCC1 ZINC000423185029 387969749 /nfs/dbraw/zinc/96/97/49/387969749.db2.gz UNQSFPROBHBSKE-QWRGUYRKSA-N 2 0 213.369 1.363 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCC[C@H]1F ZINC000423184937 387969849 /nfs/dbraw/zinc/96/98/49/387969849.db2.gz NPUWUWNYYDTAOJ-IJLUTSLNSA-N 2 0 232.343 1.611 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CC1([NH3+])CCCCC1 ZINC000423185039 387970141 /nfs/dbraw/zinc/97/01/41/387970141.db2.gz UPCHIASPHYBSAI-NSHDSACASA-N 3 0 213.369 1.365 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@@H](CO)C1)[C@H]1CCC[NH2+]1 ZINC000423188023 387971823 /nfs/dbraw/zinc/97/18/23/387971823.db2.gz PXMQFUQJIJENSZ-QNWHQSFQSA-N 2 0 226.364 1.268 20 0 BDADRP COCC[C@@H](C)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423171406 387956906 /nfs/dbraw/zinc/95/69/06/387956906.db2.gz OITYWNWIDJJVBT-FRRDWIJNSA-N 2 0 228.380 1.779 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000423195061 387979085 /nfs/dbraw/zinc/97/90/85/387979085.db2.gz XJPNZSYTQDVHGV-GMTAPVOTSA-N 2 0 208.305 1.853 20 0 BDADRP COC[C@@H]([NH2+]C1CC[NH2+]CC1)C1CCCC1 ZINC000423195210 387979270 /nfs/dbraw/zinc/97/92/70/387979270.db2.gz YVOQEDWVZHZFBU-CYBMUJFWSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@@H]1CCC[NH2+]C1 ZINC000423195495 387979404 /nfs/dbraw/zinc/97/94/04/387979404.db2.gz SSCGBXDQFOZERN-NWANDNLSSA-N 2 0 247.386 1.287 20 0 BDADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+]CCC[NH3+] ZINC000423196385 387981724 /nfs/dbraw/zinc/98/17/24/387981724.db2.gz VCJWLVYXTLTEGF-LBPRGKRZSA-N 2 0 238.306 1.760 20 0 BDADRP CCC[C@@H](N)c1nc(C2([NH3+])CCCCC2)no1 ZINC000424331315 387977689 /nfs/dbraw/zinc/97/76/89/387977689.db2.gz AEOYRXRCTPXUAY-SECBINFHSA-N 2 0 238.335 1.988 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000423192512 387977745 /nfs/dbraw/zinc/97/77/45/387977745.db2.gz VOBYRSDNGAWDGZ-NSHDSACASA-N 2 0 222.332 1.955 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH+]1C)[C@H]1CC[C@H](O)CC1 ZINC000439281023 387989811 /nfs/dbraw/zinc/98/98/11/387989811.db2.gz FQIMIEKUKJYIIQ-IHRRRGAJSA-N 2 0 240.391 1.706 20 0 BDADRP CCC[C@@H](C)[C@@H](CC)[NH2+]CCN1CC[NH2+]CC1 ZINC000423204812 387991065 /nfs/dbraw/zinc/99/10/65/387991065.db2.gz OPYQFESKSUCNFL-ZIAGYGMSSA-N 2 0 241.423 1.696 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H](C)C1CCSCC1 ZINC000423206972 387991471 /nfs/dbraw/zinc/99/14/71/387991471.db2.gz XLFKXMPUQOJFLS-JTQLQIEISA-N 2 0 216.394 1.717 20 0 BDADRP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000423207826 387993427 /nfs/dbraw/zinc/99/34/27/387993427.db2.gz SHHAPROLAAXBHO-CHWSQXEVSA-N 2 0 239.407 1.306 20 0 BDADRP c1ccc2c(c1)CC[C@H]2[NH2+]CCN1CC[NH2+]CC1 ZINC000423210199 387995375 /nfs/dbraw/zinc/99/53/75/387995375.db2.gz WGMVSNSTUNXTCY-OAHLLOKOSA-N 2 0 245.370 1.169 20 0 BDADRP CCC[N@@H+]1CC[C@@H](CN[C@@H](C)c2ccncn2)C1 ZINC000453090655 387982192 /nfs/dbraw/zinc/98/21/92/387982192.db2.gz KQIVCKKOCCUEGX-STQMWFEESA-N 2 0 248.374 1.859 20 0 BDADRP [NH3+]C1(c2noc([C@H]3CC[NH2+]3)n2)CCCCC1 ZINC000424347685 387983732 /nfs/dbraw/zinc/98/37/32/387983732.db2.gz RSZKGVCGGMEDDY-MRVPVSSYSA-N 2 0 222.292 1.222 20 0 BDADRP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CCC[NH2+]C ZINC000423198722 387984426 /nfs/dbraw/zinc/98/44/26/387984426.db2.gz HLVRTQJADOUUAV-NWDGAFQWSA-N 2 0 228.380 1.779 20 0 BDADRP CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])[C@H]1CCOC1 ZINC000424370902 387996814 /nfs/dbraw/zinc/99/68/14/387996814.db2.gz DYYAJPBJUJIDGE-UMSGYPCISA-N 2 0 226.364 1.661 20 0 BDADRP C[C@@H](NC[C@H]1CCC[NH2+]C1)[C@@H]1CCCC[NH2+]1 ZINC000423214862 387997457 /nfs/dbraw/zinc/99/74/57/387997457.db2.gz PUGYRBNEUYADPU-AGIUHOORSA-N 2 0 225.380 1.106 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])[C@H](C)O1 ZINC000424373223 387997818 /nfs/dbraw/zinc/99/78/18/387997818.db2.gz JDMIODVQJYAAPN-ROHXPCBUSA-N 2 0 212.337 1.412 20 0 BDADRP C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000423215795 387997914 /nfs/dbraw/zinc/99/79/14/387997914.db2.gz NNLDFNWZDYEMHZ-VEGXAWMVSA-N 2 0 226.364 1.530 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC[C@H]1CCC[NH2+]C1 ZINC000423214253 387998060 /nfs/dbraw/zinc/99/80/60/387998060.db2.gz ONFHYTGPMPNHSH-MBNYWOFBSA-N 2 0 237.391 1.058 20 0 BDADRP COCCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420406917 387999559 /nfs/dbraw/zinc/99/95/59/387999559.db2.gz UUFPDJFXYOWBBK-ZIAGYGMSSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@H]1C[C@H](N[C@@H]2CCCC[C@H]2[NH3+])CC[N@@H+]1C ZINC000424376491 388000061 /nfs/dbraw/zinc/00/00/61/388000061.db2.gz PKGURUYHTJNCMX-UMSGYPCISA-N 2 0 225.380 1.329 20 0 BDADRP CO[C@H](C)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000309660316 388001060 /nfs/dbraw/zinc/00/10/60/388001060.db2.gz RCRPCHGWEGNHJG-LLVKDONJSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000423223173 388003724 /nfs/dbraw/zinc/00/37/24/388003724.db2.gz FDXITHQVQZZEPR-REWJHTLYSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@H]([NH3+])CCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423225428 388007326 /nfs/dbraw/zinc/00/73/26/388007326.db2.gz MTURYUYKWFQINF-ZWKOPEQDSA-N 2 0 219.332 1.458 20 0 BDADRP Cc1ccncc1[C@@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC000423225237 388008212 /nfs/dbraw/zinc/00/82/12/388008212.db2.gz LVAXGGCZSWCSBD-WDEREUQCSA-N 2 0 207.321 1.778 20 0 BDADRP C[C@@H]([NH3+])CC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423227564 388010917 /nfs/dbraw/zinc/01/09/17/388010917.db2.gz WFOWKAMUCQZZTI-FVCCEPFGSA-N 2 0 238.375 1.661 20 0 BDADRP CC[NH2+]CCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423229365 388015249 /nfs/dbraw/zinc/01/52/49/388015249.db2.gz AZOKSELZJAAVRQ-STQMWFEESA-N 2 0 219.332 1.330 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cccc(CO)c1 ZINC000423250690 388032850 /nfs/dbraw/zinc/03/28/50/388032850.db2.gz QVAUHHARIFHIJK-CHWSQXEVSA-N 2 0 248.370 1.829 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccnn1C ZINC000423270090 388034874 /nfs/dbraw/zinc/03/48/74/388034874.db2.gz GAKUWKOZJJUVHM-SDDRHHMPSA-N 2 0 236.363 1.588 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000423256371 388036390 /nfs/dbraw/zinc/03/63/90/388036390.db2.gz BSTYDMJZMWZXGF-CHWSQXEVSA-N 2 0 240.391 1.781 20 0 BDADRP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)C[NH2+]C ZINC000423255527 388036488 /nfs/dbraw/zinc/03/64/88/388036488.db2.gz AHNYZVDOVKNEPG-FRRDWIJNSA-N 2 0 228.380 1.637 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000082645469 388038315 /nfs/dbraw/zinc/03/83/15/388038315.db2.gz ZKEQNRKDKINRNH-RYUDHWBXSA-N 2 0 219.332 1.641 20 0 BDADRP CC(C)C[C@@H](CN)[NH2+][C@H](C)CCCC[NH3+] ZINC000423262369 388040079 /nfs/dbraw/zinc/04/00/79/388040079.db2.gz MFYALEBPEUFAFM-NEPJUHHUSA-N 2 0 215.385 1.467 20 0 BDADRP C[NH2+]C[C@H](C)CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000423266133 388043338 /nfs/dbraw/zinc/04/33/38/388043338.db2.gz CWVURPARESZDEN-UMSGYPCISA-N 2 0 227.396 1.160 20 0 BDADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000423265249 388043607 /nfs/dbraw/zinc/04/36/07/388043607.db2.gz CRPZCCNKVGEYQS-ZDEQEGDKSA-N 2 0 225.380 1.044 20 0 BDADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000423265248 388043877 /nfs/dbraw/zinc/04/38/77/388043877.db2.gz CRPZCCNKVGEYQS-WUHRBBMRSA-N 2 0 225.380 1.044 20 0 BDADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423245397 388028294 /nfs/dbraw/zinc/02/82/94/388028294.db2.gz ITGZTIVIVAKOSF-DYEKYZERSA-N 2 0 237.391 1.058 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCCN(CCCO)C1)C1(C)CC1 ZINC000453271392 388030298 /nfs/dbraw/zinc/03/02/98/388030298.db2.gz UEXRQWGJFKIUDD-CHWSQXEVSA-N 2 0 240.391 1.611 20 0 BDADRP CC[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccn(C)n1 ZINC000423249060 388031425 /nfs/dbraw/zinc/03/14/25/388031425.db2.gz OECHOEUGUAWHBO-RYUDHWBXSA-N 2 0 236.363 1.460 20 0 BDADRP CC[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccn(C)n1 ZINC000423249058 388031737 /nfs/dbraw/zinc/03/17/37/388031737.db2.gz OECHOEUGUAWHBO-NWDGAFQWSA-N 2 0 236.363 1.460 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1cncc(C)c1 ZINC000423272020 388051669 /nfs/dbraw/zinc/05/16/69/388051669.db2.gz JOAOCHVYRMXZRV-RYUDHWBXSA-N 2 0 221.348 1.896 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1cccnc1 ZINC000423272064 388051926 /nfs/dbraw/zinc/05/19/26/388051926.db2.gz JQBAHXVZCDYRRU-MNOVXSKESA-N 2 0 207.321 1.588 20 0 BDADRP C[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])[C@H]1CCC[NH2+]1 ZINC000423274088 388053035 /nfs/dbraw/zinc/05/30/35/388053035.db2.gz JUGYDUFAUOPDCR-UMSGYPCISA-N 2 0 225.380 1.234 20 0 BDADRP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CCCOCC1 ZINC000083424309 388053228 /nfs/dbraw/zinc/05/32/28/388053228.db2.gz PFKNAKILDFCKOD-LBPRGKRZSA-N 2 0 228.380 1.733 20 0 BDADRP CCC[N@H+](CCCOCC)C1CC[NH2+]CC1 ZINC000083552466 388055500 /nfs/dbraw/zinc/05/55/00/388055500.db2.gz QXWLOQVPCPTBAT-UHFFFAOYSA-N 2 0 228.380 1.877 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])[C@@H]1CCOC1 ZINC000423274437 388055844 /nfs/dbraw/zinc/05/58/44/388055844.db2.gz KMUFSTWRWLPBDQ-RFQIPJPRSA-N 2 0 240.391 1.909 20 0 BDADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000423277769 388058858 /nfs/dbraw/zinc/05/88/58/388058858.db2.gz OPQDISZMBOAQHR-XDQVBPFNSA-N 2 0 239.407 1.434 20 0 BDADRP CC(C)[C@H]([NH3+])C[NH2+][C@H]1C[C@@H](C)O[C@H]1C ZINC000423278341 388060068 /nfs/dbraw/zinc/06/00/68/388060068.db2.gz QRNQTHVCACVUMO-YTWAJWBKSA-N 2 0 200.326 1.125 20 0 BDADRP [NH3+]C[C@H](N[C@@H]1C[C@@H]([NH3+])c2ccccc21)C1CC1 ZINC000423285450 388069675 /nfs/dbraw/zinc/06/96/75/388069675.db2.gz YCESZRNBISWFMD-MCIONIFRSA-N 2 0 231.343 1.458 20 0 BDADRP C[C@@H]1CC[C@@H](C)[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000084048030 388069702 /nfs/dbraw/zinc/06/97/02/388069702.db2.gz LQLUBQNFGDQOKT-CHWSQXEVSA-N 2 0 225.380 1.012 20 0 BDADRP CCC([NH3+])(CC)C[NH2+][C@H](C)CCCOC ZINC000423286438 388070940 /nfs/dbraw/zinc/07/09/40/388070940.db2.gz HHLVOPSZEKZNOM-LLVKDONJSA-N 2 0 216.369 1.909 20 0 BDADRP [NH3+]C[C@@H]1CCCN(Cc2ccncc2Cl)C1 ZINC000084085320 388071053 /nfs/dbraw/zinc/07/10/53/388071053.db2.gz GAVTXDXGEWRKRM-JTQLQIEISA-N 2 0 239.750 1.906 20 0 BDADRP COc1ccc(C[C@H](C)[NH2+]CC(C)(C)[NH3+])cn1 ZINC000423286636 388071606 /nfs/dbraw/zinc/07/16/06/388071606.db2.gz HXLCJOOOGWIOQX-JTQLQIEISA-N 2 0 237.347 1.348 20 0 BDADRP CCC([NH3+])(CC)C[NH2+][C@@H](C)C1CCOCC1 ZINC000423287818 388072622 /nfs/dbraw/zinc/07/26/22/388072622.db2.gz OSMFUWSSCUOSCX-NSHDSACASA-N 2 0 228.380 1.909 20 0 BDADRP COCC[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)[NH3+] ZINC000423287699 388073303 /nfs/dbraw/zinc/07/33/03/388073303.db2.gz NWUUCBJRIZULSR-WDEREUQCSA-N 2 0 214.353 1.519 20 0 BDADRP CCOC[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)[NH3+] ZINC000423288828 388073353 /nfs/dbraw/zinc/07/33/53/388073353.db2.gz VGGRVOKBQRSJTF-WDEREUQCSA-N 2 0 214.353 1.519 20 0 BDADRP CC(C)([NH3+])C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000423289325 388074140 /nfs/dbraw/zinc/07/41/40/388074140.db2.gz WTQBLWRGYPYSTG-UTUOFQBUSA-N 2 0 238.375 1.661 20 0 BDADRP CCOC[C@@H](C)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453404792 388075303 /nfs/dbraw/zinc/07/53/03/388075303.db2.gz PXNOBIJNQSNGHM-GFCCVEGCSA-N 2 0 228.380 1.875 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCc1ccccn1 ZINC000084217585 388075534 /nfs/dbraw/zinc/07/55/34/388075534.db2.gz TZXRQPSWHSXFOB-DGCLKSJQSA-N 2 0 219.332 1.341 20 0 BDADRP C[C@@H]([NH3+])c1ccc(CN[C@@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000423293148 388076023 /nfs/dbraw/zinc/07/60/23/388076023.db2.gz PZHKECAGRXWNQK-TYNCELHUSA-N 2 0 247.386 1.936 20 0 BDADRP CCC([NH3+])(CC)CN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423294590 388077329 /nfs/dbraw/zinc/07/73/29/388077329.db2.gz UXGTZVBWTQZYRM-VXGBXAGGSA-N 2 0 227.396 1.611 20 0 BDADRP CCC[NH2+]CC[NH2+][C@@H]1CCOC[C@@H]1C ZINC000423295501 388077689 /nfs/dbraw/zinc/07/76/89/388077689.db2.gz ASAQUIITJVPZEV-WDEREUQCSA-N 2 0 200.326 1.001 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000447576132 388079772 /nfs/dbraw/zinc/07/97/72/388079772.db2.gz APJIMBQJNHYSAV-VXGBXAGGSA-N 2 0 240.391 1.874 20 0 BDADRP C[NH+](C)CCOCC[NH2+][C@H]1CCC12CCCC2 ZINC000447602330 388081826 /nfs/dbraw/zinc/08/18/26/388081826.db2.gz UGCWZZYHHLDCPA-ZDUSSCGKSA-N 2 0 240.391 1.877 20 0 BDADRP C[N@H+](CCCC[NH2+]Cc1cc[nH]n1)C1CC1 ZINC000453593707 388088784 /nfs/dbraw/zinc/08/87/84/388088784.db2.gz HGKXROYOTGBIFT-UHFFFAOYSA-N 2 0 222.336 1.374 20 0 BDADRP C[N@H+](CCCC[NH2+]Cc1cc[nH]c1)C1CC1 ZINC000453603287 388091599 /nfs/dbraw/zinc/09/15/99/388091599.db2.gz XBOIUWCCVLAHEW-UHFFFAOYSA-N 2 0 221.348 1.979 20 0 BDADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)[C@@H]1CCCC[NH2+]1 ZINC000333286310 388101468 /nfs/dbraw/zinc/10/14/68/388101468.db2.gz NKBQXYZOLQSCIT-WTIISPKJSA-N 3 0 225.380 1.377 20 0 BDADRP CC[C@H](C)C[N@H+](CC)CCN1CC[NH2+]CC1 ZINC000086437732 388102135 /nfs/dbraw/zinc/10/21/35/388102135.db2.gz KVZFZGXEJBEIKO-ZDUSSCGKSA-N 2 0 227.396 1.260 20 0 BDADRP Cc1ccccc1CC[NH2+][C@@H]1CCCNC1 ZINC000086762851 388107413 /nfs/dbraw/zinc/10/74/13/388107413.db2.gz HACHFZGVGGCPJF-CQSZACIVSA-N 2 0 218.344 1.879 20 0 BDADRP C1C[C@H]([NH2+]C2C3CC4CC(C3)CC2C4)C[NH2+]1 ZINC000086727324 388108038 /nfs/dbraw/zinc/10/80/38/388108038.db2.gz MLBLKCCDCPNQKK-QBBLGZLKSA-N 2 0 220.360 1.763 20 0 BDADRP C[NH+](C)CCC[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000086901523 388111258 /nfs/dbraw/zinc/11/12/58/388111258.db2.gz LVOWYSRYTFIZSX-GFCCVEGCSA-N 2 0 226.364 1.629 20 0 BDADRP CC[C@@H]([NH2+]C[C@@H](C)C[NH2+]C)c1cnn(C)c1 ZINC000423271271 388048757 /nfs/dbraw/zinc/04/87/57/388048757.db2.gz IVBZWYJBKLRQAF-CMPLNLGQSA-N 2 0 224.352 1.316 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423272305 388050724 /nfs/dbraw/zinc/05/07/24/388050724.db2.gz JUOMCJIJPVSXPK-AVGNSLFASA-N 3 0 225.380 1.106 20 0 BDADRP CCN(CCO)CC[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C ZINC000449250163 388162350 /nfs/dbraw/zinc/16/23/50/388162350.db2.gz OCUKJFWTZPCDDF-HZSPNIEDSA-N 2 0 242.407 1.715 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCSC2)C1 ZINC000261528384 135153456 /nfs/dbraw/zinc/15/34/56/135153456.db2.gz LDITTWBDXHXOMJ-GMTAPVOTSA-N 2 0 214.378 1.599 20 0 BDADRP CC[NH+](CC)CCCCNC(=O)C1([NH3+])CCC1 ZINC000449324888 388173766 /nfs/dbraw/zinc/17/37/66/388173766.db2.gz HZKDGCRDPRDYIT-UHFFFAOYSA-N 2 0 241.379 1.106 20 0 BDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)CC(C)(C)[NH3+] ZINC000646012064 388124311 /nfs/dbraw/zinc/12/43/11/388124311.db2.gz FPHMVTUCGBQTMO-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)C[C@@H]1O ZINC000162225526 388128539 /nfs/dbraw/zinc/12/85/39/388128539.db2.gz ZJDMBRNBCPNDAA-KGLIPLIRSA-N 2 0 240.391 1.565 20 0 BDADRP C[C@H]1C[C@H]1C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000488585384 388186207 /nfs/dbraw/zinc/18/62/07/388186207.db2.gz UAHCOSLTQYHGKR-STQMWFEESA-N 2 0 239.407 1.258 20 0 BDADRP C[C@@H](NC(=O)CCCC[NH3+])C(C)(C)C[NH+](C)C ZINC000646074826 388137869 /nfs/dbraw/zinc/13/78/69/388137869.db2.gz NSJJCFQSQLGDJA-LLVKDONJSA-N 2 0 243.395 1.208 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000449076773 388139584 /nfs/dbraw/zinc/13/95/84/388139584.db2.gz HYIFKYCEDPGGGB-JHJVBQTASA-N 2 0 244.379 1.110 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)Nc1ccccc1C[NH2+]C ZINC000449080170 388139817 /nfs/dbraw/zinc/13/98/17/388139817.db2.gz TWDADZPRLZIYFF-LLVKDONJSA-N 2 0 249.358 1.733 20 0 BDADRP CCC[NH2+][C@@H](C)C(=O)NCC[N@H+](C)[C@H](C)CC ZINC000449112937 388144398 /nfs/dbraw/zinc/14/43/98/388144398.db2.gz DXLGBGDCSZVKCB-NEPJUHHUSA-N 2 0 243.395 1.221 20 0 BDADRP C[C@H]1C[N@H+](CCn2ccnc2)CC2(CCCC2)O1 ZINC000646134927 388151875 /nfs/dbraw/zinc/15/18/75/388151875.db2.gz ZHUISNULDZUAKW-ZDUSSCGKSA-N 2 0 249.358 1.917 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCCN1CCCO)C1CCC1 ZINC000449386665 388191273 /nfs/dbraw/zinc/19/12/73/388191273.db2.gz JBFVPOUKENPWJN-JSGCOSHPSA-N 2 0 240.391 1.611 20 0 BDADRP CCN1C[C@@H](C)[C@H]([NH2+]CCC(C)(C)CO)C1 ZINC000449410001 388197208 /nfs/dbraw/zinc/19/72/08/388197208.db2.gz XNMZWDHYUUCOAB-VXGBXAGGSA-N 2 0 228.380 1.325 20 0 BDADRP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@H]1CCCC1(F)F ZINC000449490537 388218009 /nfs/dbraw/zinc/21/80/09/388218009.db2.gz CGCVSWHYFLIFAL-GMTAPVOTSA-N 2 0 232.318 1.962 20 0 BDADRP C[C@H](CCC[NH3+])NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000449574040 388236189 /nfs/dbraw/zinc/23/61/89/388236189.db2.gz VGLWZLWOUDXBMN-UTUOFQBUSA-N 2 0 241.379 1.103 20 0 BDADRP C[C@@H]1[C@@H](O)CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000451463250 388275682 /nfs/dbraw/zinc/27/56/82/388275682.db2.gz UVEGWHZCQJEFHR-KGLIPLIRSA-N 2 0 240.391 1.708 20 0 BDADRP CC(C)[C@]1(C)C[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000397217745 388342629 /nfs/dbraw/zinc/34/26/29/388342629.db2.gz DDWHWIYCAJQPKU-RDBSUJKOSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@@H]1CN(C[C@H]2CCC3(CCCC3)O2)C[C@H]1[NH3+] ZINC000300050044 388346988 /nfs/dbraw/zinc/34/69/88/388346988.db2.gz WSKBEZAVJABCJB-JHJVBQTASA-N 2 0 238.375 1.757 20 0 BDADRP [NH3+]CCC[N@H+](CCCO)Cc1ccccc1 ZINC000230024567 388348954 /nfs/dbraw/zinc/34/89/54/388348954.db2.gz CLZZKMDWFPKKRT-UHFFFAOYSA-N 2 0 222.332 1.220 20 0 BDADRP C[C@H](Cc1ccncc1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000568532398 388355875 /nfs/dbraw/zinc/35/58/75/388355875.db2.gz GMVIVNNCFXTANV-XBFCOCLRSA-N 2 0 233.359 1.872 20 0 BDADRP C[N@@H+]1CCC[C@@H]2CN(Cc3cc[nH]n3)CC[C@H]21 ZINC000246194208 388440635 /nfs/dbraw/zinc/44/06/35/388440635.db2.gz LKCPXTLWLOUTBJ-DGCLKSJQSA-N 2 0 234.347 1.326 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CSC1(C)C ZINC000393834527 388443853 /nfs/dbraw/zinc/44/38/53/388443853.db2.gz MOANJBMOKYQUCC-ZJUUUORDSA-N 2 0 232.393 1.224 20 0 BDADRP c1cc(CCC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cs1 ZINC000309562456 388457486 /nfs/dbraw/zinc/45/74/86/388457486.db2.gz PFYXQCYYPLJURB-BETUJISGSA-N 2 0 236.384 1.832 20 0 BDADRP CCOCCC[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000405318841 388459074 /nfs/dbraw/zinc/45/90/74/388459074.db2.gz QHUCKOPRTRJETA-NXEZZACHSA-N 2 0 200.326 1.128 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000336679937 388462298 /nfs/dbraw/zinc/46/22/98/388462298.db2.gz DJEFIDUKZNCRAF-CYBMUJFWSA-N 3 0 241.423 1.825 20 0 BDADRP CSC1(C[NH2+]CCCC[NH+](C)C)CC1 ZINC000336698177 388462554 /nfs/dbraw/zinc/46/25/54/388462554.db2.gz VEAQBVUTYHGVEP-UHFFFAOYSA-N 2 0 216.394 1.813 20 0 BDADRP C[C@@H](C[NH2+]C1CCSCC1)C[NH+](C)C ZINC000336686639 388462782 /nfs/dbraw/zinc/46/27/82/388462782.db2.gz LOMSTFCJJIPKGF-JTQLQIEISA-N 2 0 216.394 1.669 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cccc(CO)c1 ZINC000336703154 388465153 /nfs/dbraw/zinc/46/51/53/388465153.db2.gz KIIACDUPAVHXKT-LBPRGKRZSA-N 2 0 236.359 1.786 20 0 BDADRP C[C@H](C[NH2+][C@H](C)CCCC[NH3+])C[NH+]1CCCC1 ZINC000336712617 388466066 /nfs/dbraw/zinc/46/60/66/388466066.db2.gz OBWBZMLBWMSODG-ZIAGYGMSSA-N 3 0 241.423 1.825 20 0 BDADRP FCCCCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000336708150 388466498 /nfs/dbraw/zinc/46/64/98/388466498.db2.gz SFZOYSQIGCXSMR-RYUDHWBXSA-N 2 0 214.328 1.668 20 0 BDADRP C([N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C12CCC(CC1)C2 ZINC000649253090 388470231 /nfs/dbraw/zinc/47/02/31/388470231.db2.gz HYCASZSEYRJFDZ-AKJUYKBHSA-N 2 0 220.360 1.718 20 0 BDADRP C[C@@H]1C[C@@H](C)[N@H+](CC2CCOCC2)C[C@H]1C[NH3+] ZINC000397486143 388474359 /nfs/dbraw/zinc/47/43/59/388474359.db2.gz UZXYSUQWDZDFKS-YRGRVCCFSA-N 2 0 240.391 1.718 20 0 BDADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@@H]1C[C@H]1C ZINC000397549942 388478325 /nfs/dbraw/zinc/47/83/25/388478325.db2.gz RXQHYUINZMFLIL-GRYCIOLGSA-N 2 0 226.364 1.077 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CCN1CCC[NH+]1CCCCC1 ZINC000575998886 388478420 /nfs/dbraw/zinc/47/84/20/388478420.db2.gz PTWUTWSNGQOZBN-ZIAGYGMSSA-N 2 0 239.407 1.674 20 0 BDADRP C[C@H]([NH3+])c1ccc(C(=O)N2CC[C@@H](C[NH3+])C2)cc1 ZINC000646669934 388410096 /nfs/dbraw/zinc/41/00/96/388410096.db2.gz HDGQVUVPCRGFDU-QWRGUYRKSA-N 2 0 247.342 1.127 20 0 BDADRP COC[C@H]([NH2+][C@H](C)CCC[NH3+])C1CC1 ZINC000397231484 388411169 /nfs/dbraw/zinc/41/11/69/388411169.db2.gz GFAZESDHGDJWSN-KOLCDFICSA-N 2 0 200.326 1.128 20 0 BDADRP C[C@@H]([NH2+]CCCC(C)(C)CO)[C@@H]1CCCC[NH2+]1 ZINC000393425028 388429509 /nfs/dbraw/zinc/42/95/09/388429509.db2.gz LMMAULJKZPHUJN-OLZOCXBDSA-N 2 0 242.407 1.905 20 0 BDADRP Cc1cc(CC[NH2+][C@H]2CCCC[C@H]2C[NH3+])on1 ZINC000573197672 388430940 /nfs/dbraw/zinc/43/09/40/388430940.db2.gz SEBFXEPYONPLHE-AAEUAGOBSA-N 2 0 237.347 1.633 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](CO)CC(C)(C)C ZINC000393520345 388432039 /nfs/dbraw/zinc/43/20/39/388432039.db2.gz OSHWAGJLGFIJLQ-NEPJUHHUSA-N 2 0 246.395 1.127 20 0 BDADRP Cc1ccncc1C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000404773908 388432836 /nfs/dbraw/zinc/43/28/36/388432836.db2.gz KLHKWFYLDOKEDV-NWDGAFQWSA-N 2 0 219.332 1.605 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000352558862 388537458 /nfs/dbraw/zinc/53/74/58/388537458.db2.gz ZWVAIWNRMSQHGB-MGPQQGTHSA-N 2 0 240.391 1.754 20 0 BDADRP c1n[nH]cc1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000353625289 388541974 /nfs/dbraw/zinc/54/19/74/388541974.db2.gz FXUDARNSPPVKCO-OLZOCXBDSA-N 2 0 234.347 1.169 20 0 BDADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC[C@H]1CCOC1 ZINC000339409395 388482945 /nfs/dbraw/zinc/48/29/45/388482945.db2.gz LZIWAJMCJBPEEM-STQMWFEESA-N 2 0 228.380 1.718 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000516634157 388484982 /nfs/dbraw/zinc/48/49/82/388484982.db2.gz AFMQNFCVTGOVPP-OUJBWJOFSA-N 2 0 247.342 1.643 20 0 BDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)CO ZINC000086500955 256795254 /nfs/dbraw/zinc/79/52/54/256795254.db2.gz LLWSBTZKBUWYNG-GRYCIOLGSA-N 2 0 214.353 1.268 20 0 BDADRP C[N@@H+]1CCC[C@H](CN[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000516861235 388520658 /nfs/dbraw/zinc/52/06/58/388520658.db2.gz CPCDAJXHDSDBES-HZSPNIEDSA-N 3 0 239.407 1.578 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1CCCCO1 ZINC000379260514 388602560 /nfs/dbraw/zinc/60/25/60/388602560.db2.gz MDKVIIBVXLVNFJ-OCCSQVGLSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@H]1CC[NH+](C)C[C@H]1C ZINC000359644402 388557203 /nfs/dbraw/zinc/55/72/03/388557203.db2.gz ZZKJQFTUOHHEOJ-KGLIPLIRSA-N 2 0 241.423 1.647 20 0 BDADRP CO[C@](C)(C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)C1CC1 ZINC000361011333 388559974 /nfs/dbraw/zinc/55/99/74/388559974.db2.gz SGRQKKLHZZYGFD-IACUBPJLSA-N 2 0 240.391 1.731 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](OC)C(C)C ZINC000362974773 388561768 /nfs/dbraw/zinc/56/17/68/388561768.db2.gz BVHWOMWBFCEFLP-NEPJUHHUSA-N 2 0 232.368 1.001 20 0 BDADRP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCOC1(C)C ZINC000328204555 388585763 /nfs/dbraw/zinc/58/57/63/388585763.db2.gz HKZPDLHXPIAYHJ-LLVKDONJSA-N 2 0 228.380 1.731 20 0 BDADRP CC[NH+]1CCC(N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000530179110 388622152 /nfs/dbraw/zinc/62/21/52/388622152.db2.gz TXTGKQXVEKSTBK-CYBMUJFWSA-N 2 0 237.391 1.345 20 0 BDADRP O[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000328344914 388625858 /nfs/dbraw/zinc/62/58/58/388625858.db2.gz LWIRWLIWONEWIF-YIYPIFLZSA-N 2 0 238.375 1.079 20 0 BDADRP CC1(C)C[C@@H]([NH2+]CC[C@H]2CCCOC2)CC[NH2+]1 ZINC000530212955 388627917 /nfs/dbraw/zinc/62/79/17/388627917.db2.gz SGFNHPLIWZYNBT-OLZOCXBDSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H](C[NH2+][C@H]1CCC[C@@H]1[NH3+])c1ccncc1 ZINC000530218795 388631455 /nfs/dbraw/zinc/63/14/55/388631455.db2.gz HFHWUOGHJOJVLP-WXHSDQCUSA-N 2 0 219.332 1.655 20 0 BDADRP C[C@@H](C[NH2+][C@@H](C)C1C[NH2+]C1)c1ccncc1 ZINC000530218689 388632121 /nfs/dbraw/zinc/63/21/21/388632121.db2.gz GRSSDLBHNFOFBG-QWRGUYRKSA-N 2 0 219.332 1.383 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)C1CCOCC1 ZINC000530221194 388633017 /nfs/dbraw/zinc/63/30/17/388633017.db2.gz OTNAFIFMJNTGMF-AAEUAGOBSA-N 2 0 238.375 1.676 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2CC[NH2+]C23CCC3)CC[N@@H+]1C ZINC000530222762 388633739 /nfs/dbraw/zinc/63/37/39/388633739.db2.gz RLYCTXTYNUNXGK-JHJVBQTASA-N 2 0 237.391 1.343 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1Cc2ccccc2NC1=O ZINC000530224860 388633834 /nfs/dbraw/zinc/63/38/34/388633834.db2.gz MWNTVBCSLSBIEW-GXFFZTMASA-N 2 0 247.342 1.267 20 0 BDADRP CC(C)[C@@H]1CNCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000530228870 388636327 /nfs/dbraw/zinc/63/63/27/388636327.db2.gz HEBNOZXXMFVEAC-AWEZNQCLSA-N 2 0 239.407 1.306 20 0 BDADRP COC[C@@H](C)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530245359 388638718 /nfs/dbraw/zinc/63/87/18/388638718.db2.gz WOQSXJGNZPETJE-QWRGUYRKSA-N 2 0 212.337 1.143 20 0 BDADRP CC[N@H+](C)CCN[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000247044205 388657299 /nfs/dbraw/zinc/65/72/99/388657299.db2.gz OJCBEEGCSPXYIX-QWHCGFSZSA-N 2 0 227.396 1.258 20 0 BDADRP COC[C@H](C)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247468594 388664244 /nfs/dbraw/zinc/66/42/44/388664244.db2.gz JAODHPZISLFHQD-QWHCGFSZSA-N 2 0 228.380 1.828 20 0 BDADRP COC[C@@H](C)C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000220869986 388664514 /nfs/dbraw/zinc/66/45/14/388664514.db2.gz BXUABXNRYJXLDS-LBPRGKRZSA-N 2 0 228.380 1.590 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000227084566 388739524 /nfs/dbraw/zinc/73/95/24/388739524.db2.gz QLFTYWJZDOZHEF-SDDRHHMPSA-N 2 0 212.337 1.273 20 0 BDADRP C[C@H]1C[C@H](NCC[NH+]2CCCCC2)CC[N@@H+]1C ZINC000128218004 388740935 /nfs/dbraw/zinc/74/09/35/388740935.db2.gz YUVQGINIXMYXRM-UONOGXRCSA-N 2 0 239.407 1.545 20 0 BDADRP C[C@@H]1C[C@@H](NCC[NH+]2CCCCC2)CC[N@@H+]1C ZINC000128218238 388741588 /nfs/dbraw/zinc/74/15/88/388741588.db2.gz YUVQGINIXMYXRM-KGLIPLIRSA-N 2 0 239.407 1.545 20 0 BDADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000423500189 388692902 /nfs/dbraw/zinc/69/29/02/388692902.db2.gz IHPFNIDBQWPBIQ-LPTSXCQYSA-N 2 0 208.349 1.892 20 0 BDADRP CO[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000249084018 388708667 /nfs/dbraw/zinc/70/86/67/388708667.db2.gz SWCCVTKYEMONAZ-MBJXGIAVSA-N 2 0 240.391 1.872 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCCn2cccn2)CC[N@@H+]1C ZINC000126982258 388710172 /nfs/dbraw/zinc/71/01/72/388710172.db2.gz ILUGDTKKZDJTBE-CHWSQXEVSA-N 2 0 236.363 1.346 20 0 BDADRP CCc1cnc(CN2CC[C@@H]([NH3+])[C@@H](C)C2)o1 ZINC000226422363 388718508 /nfs/dbraw/zinc/71/85/08/388718508.db2.gz HLOWIMSJTLEFQB-GXSJLCMTSA-N 2 0 223.320 1.406 20 0 BDADRP C([C@H]1CCC[NH2+]C1)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000226438442 388719946 /nfs/dbraw/zinc/71/99/46/388719946.db2.gz WITPJCBORFEEBZ-RWMBFGLXSA-N 2 0 208.349 1.718 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCCCO ZINC000229601846 388796561 /nfs/dbraw/zinc/79/65/61/388796561.db2.gz YKPGEGGCBLIIBH-NEPJUHHUSA-N 2 0 214.353 1.079 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000229971549 388808531 /nfs/dbraw/zinc/80/85/31/388808531.db2.gz IBIXLGQASCBINE-IJLUTSLNSA-N 2 0 214.353 1.110 20 0 BDADRP CC[C@@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128485521 388764951 /nfs/dbraw/zinc/76/49/51/388764951.db2.gz JNJCGIABNAEIFR-CYBMUJFWSA-N 2 0 227.396 1.402 20 0 BDADRP CO[C@H]1CCCN(C[C@@H]([NH3+])CC(C)C)C1 ZINC000230314874 388823234 /nfs/dbraw/zinc/82/32/34/388823234.db2.gz JNIGNSLGELRHJN-RYUDHWBXSA-N 2 0 214.353 1.471 20 0 BDADRP CO[C@@H]1CCCN(C[C@@H]([NH3+])CC(C)C)C1 ZINC000230314870 388824086 /nfs/dbraw/zinc/82/40/86/388824086.db2.gz JNIGNSLGELRHJN-NWDGAFQWSA-N 2 0 214.353 1.471 20 0 BDADRP CC[NH+](CC)CCCN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129458217 388844895 /nfs/dbraw/zinc/84/48/95/388844895.db2.gz PSPOBDYMHQGCPN-KGLIPLIRSA-N 2 0 241.423 1.791 20 0 BDADRP CCN1CC[C@H]([NH2+]C[C@@H](O)C2CCCCC2)C1 ZINC000564859561 388895546 /nfs/dbraw/zinc/89/55/46/388895546.db2.gz ZOMLCPWVYKWFHN-UONOGXRCSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@@H]([NH2+]CCOCC1CCC1)C1C[NH2+]C1 ZINC000564560227 388879064 /nfs/dbraw/zinc/87/90/64/388879064.db2.gz WWMTXKBRJXUCGH-SNVBAGLBSA-N 2 0 212.337 1.001 20 0 BDADRP C[NH2+]CCCN1CCC([NH2+]CC2CC2)CC1 ZINC000564989236 388905805 /nfs/dbraw/zinc/90/58/05/388905805.db2.gz FAXVEEZZWXJSOD-UHFFFAOYSA-N 2 0 225.380 1.060 20 0 BDADRP C[NH2+]C[C@](C)(O)C[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000565092825 388913719 /nfs/dbraw/zinc/91/37/19/388913719.db2.gz HGEIMXFDMCBNDA-RDBSUJKOSA-N 2 0 242.407 1.761 20 0 BDADRP C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000565298926 388935071 /nfs/dbraw/zinc/93/50/71/388935071.db2.gz CYQHJVUFYBGEQS-RKDXNWHRSA-N 2 0 221.304 1.067 20 0 BDADRP CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)CC)C(C)(C)C ZINC000565784157 388970144 /nfs/dbraw/zinc/97/01/44/388970144.db2.gz UXTXVZFZIIUEBM-NWDGAFQWSA-N 2 0 230.396 1.713 20 0 BDADRP CC[NH2+]CCC[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000566004136 388982041 /nfs/dbraw/zinc/98/20/41/388982041.db2.gz WNYQZSYZZCUVIS-OLZOCXBDSA-N 2 0 228.380 1.779 20 0 BDADRP CC[NH2+]CCC[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000566004135 388982402 /nfs/dbraw/zinc/98/24/02/388982402.db2.gz WNYQZSYZZCUVIS-CHWSQXEVSA-N 2 0 228.380 1.779 20 0 BDADRP CC[C@@H](NC[C@H]1CCC[N@H+](C)C1)[C@@H]1CCC[NH2+]1 ZINC000566089523 388986864 /nfs/dbraw/zinc/98/68/64/388986864.db2.gz KXCNXVKAJWESCN-MCIONIFRSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1cn[nH]c1 ZINC000275154026 389054073 /nfs/dbraw/zinc/05/40/73/389054073.db2.gz HHDJRORVKSHPKP-SNVBAGLBSA-N 2 0 210.325 1.402 20 0 BDADRP C[C@@H]([NH2+]CC1CCSCC1)[C@@H]1CCC[NH2+]1 ZINC000400611684 533367347 /nfs/dbraw/zinc/36/73/47/533367347.db2.gz YOQHENIUXSKKJN-PWSUYJOCSA-N 2 0 228.405 1.860 20 0 BDADRP C[C@@H]([NH2+]CCC1CCOCC1)[C@H]1CCC[NH2+]1 ZINC000400721302 533376491 /nfs/dbraw/zinc/37/64/91/533376491.db2.gz OMHPBKWBSBAISD-DGCLKSJQSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H](NCC[NH+]1CCCCCC1)[C@H]1CCC[NH2+]1 ZINC000400704792 533395112 /nfs/dbraw/zinc/39/51/12/533395112.db2.gz KQLLEOLCZGBVOZ-ZIAGYGMSSA-N 2 0 239.407 1.593 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)[C@H]1CCC[NH2+]1 ZINC000400342887 533499791 /nfs/dbraw/zinc/49/97/91/533499791.db2.gz IAFVKNMKBIPRLI-UMSGYPCISA-N 2 0 226.364 1.532 20 0 BDADRP CC[C@H](CO)[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC000274931737 132204408 /nfs/dbraw/zinc/20/44/08/132204408.db2.gz QZQZBISAQFVBCS-CYBMUJFWSA-N 2 0 249.358 1.283 20 0 BDADRP Cc1c[nH+]ccc1N1CCC[C@H](CC[NH3+])C1 ZINC000070047691 132229879 /nfs/dbraw/zinc/22/98/79/132229879.db2.gz ZBQFUJUNWAPJOD-GFCCVEGCSA-N 2 0 219.332 1.955 20 0 BDADRP Cc1cc(N2CC[NH+]([C@H]3CCOC3)CC2)cc[nH+]1 ZINC000372342959 132285890 /nfs/dbraw/zinc/28/58/90/132285890.db2.gz AUBTWKBPTYKYFY-AWEZNQCLSA-N 2 0 247.342 1.301 20 0 BDADRP CC[C@H](C)[NH+]1CCN(c2cc[nH+]c(CO)c2)CC1 ZINC000055069074 132365375 /nfs/dbraw/zinc/36/53/75/132365375.db2.gz MXVHWDYEGHIOSR-LBPRGKRZSA-N 2 0 249.358 1.494 20 0 BDADRP Cc1c[nH]nc1CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000336006215 134048811 /nfs/dbraw/zinc/04/88/11/134048811.db2.gz ANUPIQXNYRASPB-YHWZYXNKSA-N 2 0 248.374 1.823 20 0 BDADRP Cc1ccc2ncc(CN3CC[C@H]([NH3+])C3)n2c1 ZINC000336056418 134066316 /nfs/dbraw/zinc/06/63/16/134066316.db2.gz WUGYVNICNKEJOJ-NSHDSACASA-N 2 0 230.315 1.176 20 0 BDADRP C[C@H]1NCC[N@H+](CCC2CC[NH2+]CC2)[C@H]1C ZINC000336079457 134074073 /nfs/dbraw/zinc/07/40/73/134074073.db2.gz KNKFFXWEJKGFQW-NEPJUHHUSA-N 2 0 225.380 1.058 20 0 BDADRP CC[C@H]([NH3+])C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000168987468 134249052 /nfs/dbraw/zinc/24/90/52/134249052.db2.gz GLCSOLLWJFDPDN-WDEREUQCSA-N 2 0 243.395 1.206 20 0 BDADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCC(C)(C)C1 ZINC000219321029 134281532 /nfs/dbraw/zinc/28/15/32/134281532.db2.gz DOVCRRBLRMEWJT-GFCCVEGCSA-N 2 0 228.380 1.733 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@H]2CCCC[NH2+]2)cc1 ZINC000178188715 134304639 /nfs/dbraw/zinc/30/46/39/134304639.db2.gz QHDVBNCFAPSIGJ-GXFFZTMASA-N 2 0 247.342 1.787 20 0 BDADRP CCOc1ccc(C[NH2+][C@H](C)CC[NH3+])cc1 ZINC000220536578 134309876 /nfs/dbraw/zinc/30/98/76/134309876.db2.gz OABWEVMFQPVZMG-LLVKDONJSA-N 2 0 222.332 1.912 20 0 BDADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C1([NH3+])CCCC1 ZINC000178412124 134310031 /nfs/dbraw/zinc/31/00/31/134310031.db2.gz BUPISUXZQQJJTB-NSHDSACASA-N 2 0 241.379 1.090 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)C2CC[NH2+]CC2)cc1 ZINC000178411268 134310108 /nfs/dbraw/zinc/31/01/08/134310108.db2.gz DDBDSPQMRXAWQL-JTQLQIEISA-N 2 0 247.342 1.644 20 0 BDADRP C[C@@H]([NH3+])CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000178631485 134312164 /nfs/dbraw/zinc/31/21/64/134312164.db2.gz ZTJCXGSEZDFJGO-VXGBXAGGSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000223217730 134337786 /nfs/dbraw/zinc/33/77/86/134337786.db2.gz MHTDNIYVGZITHB-RQJABVFESA-N 3 0 239.407 1.399 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCSC2)CN1C1CC1 ZINC000226384432 134364928 /nfs/dbraw/zinc/36/49/28/134364928.db2.gz IJEOBYPSIULXLA-GRYCIOLGSA-N 2 0 240.416 1.954 20 0 BDADRP Cc1ccc(C[NH2+]CCOCC[NH+](C)C)cc1 ZINC000226744508 134370736 /nfs/dbraw/zinc/37/07/36/134370736.db2.gz TYGAZVLJXOZDPF-UHFFFAOYSA-N 2 0 236.359 1.663 20 0 BDADRP C[N@@H+]1CCC[C@H]2C[NH+](CCCCO)CC[C@H]21 ZINC000227342915 134378078 /nfs/dbraw/zinc/37/80/78/134378078.db2.gz YEAFRILIHGCUDH-QWHCGFSZSA-N 2 0 226.364 1.175 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+]Cc2ncc[nH]2)CC1 ZINC000227330683 134378172 /nfs/dbraw/zinc/37/81/72/134378172.db2.gz VCKSNIJOXQXCRP-UHFFFAOYSA-N 2 0 222.336 1.231 20 0 BDADRP [NH3+]CCCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000227538621 134382725 /nfs/dbraw/zinc/38/27/25/134382725.db2.gz IJELGDJMEFEGSI-RYUDHWBXSA-N 2 0 205.305 1.070 20 0 BDADRP [NH3+]CCC[NH2+][C@H]1CCc2c1cccc2F ZINC000214683963 134789893 /nfs/dbraw/zinc/78/98/93/134789893.db2.gz QQUDTZRIKSEJPY-LBPRGKRZSA-N 2 0 208.280 1.751 20 0 BDADRP CC(C)OCC[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000082475168 134970623 /nfs/dbraw/zinc/97/06/23/134970623.db2.gz DFMUDOSSCRNBJS-LLVKDONJSA-N 2 0 214.353 1.471 20 0 BDADRP c1cn(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000250249980 135052060 /nfs/dbraw/zinc/05/20/60/135052060.db2.gz ORZJBZHPQSLSCB-OLZOCXBDSA-N 3 0 234.347 1.100 20 0 BDADRP CC(C)OCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250575923 135053640 /nfs/dbraw/zinc/05/36/40/135053640.db2.gz DJMXOYUARCCXKW-OLZOCXBDSA-N 2 0 226.364 1.628 20 0 BDADRP c1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c[nH]1 ZINC000250789443 135058960 /nfs/dbraw/zinc/05/89/60/135058960.db2.gz POERNKBEYIUTOD-OLZOCXBDSA-N 2 0 219.332 1.731 20 0 BDADRP C(C[NH+]1CCCC1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250834356 135059447 /nfs/dbraw/zinc/05/94/47/135059447.db2.gz KJPGZQRINNWLQT-KBPBESRZSA-N 2 0 237.391 1.299 20 0 BDADRP COC[C@H](C)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251127694 135064260 /nfs/dbraw/zinc/06/42/60/135064260.db2.gz SROXFHWZBBOLIB-AGIUHOORSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H](C[NH+](C)C)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251135233 135065286 /nfs/dbraw/zinc/06/52/86/135065286.db2.gz VFEZPABTLHQQFR-AGIUHOORSA-N 2 0 225.380 1.153 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CCCOC2)CC[C@@H]1[NH3+] ZINC000251914477 135080933 /nfs/dbraw/zinc/08/09/33/135080933.db2.gz XLLLBAVUSWFOFR-UTUOFQBUSA-N 2 0 212.337 1.082 20 0 BDADRP C[N@H+](CCOCC[NH3+])CCc1ccccc1 ZINC000086435885 135084179 /nfs/dbraw/zinc/08/41/79/135084179.db2.gz RGVSKXBFKBEDID-UHFFFAOYSA-N 2 0 222.332 1.136 20 0 BDADRP CCOCC[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000086500999 135087313 /nfs/dbraw/zinc/08/73/13/135087313.db2.gz KKRXMIXOWUASTG-CHWSQXEVSA-N 2 0 228.380 1.923 20 0 BDADRP CCC[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252703346 135098621 /nfs/dbraw/zinc/09/86/21/135098621.db2.gz XPNRCKVGFIECDV-AVGNSLFASA-N 2 0 226.364 1.364 20 0 BDADRP CC[C@H](O)CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252703058 135098768 /nfs/dbraw/zinc/09/87/68/135098768.db2.gz DBIFVIOGBOMAEP-AGIUHOORSA-N 2 0 226.364 1.364 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1NCC[NH+]1CCCC1 ZINC000252712747 135099972 /nfs/dbraw/zinc/09/99/72/135099972.db2.gz NGNASSOGARBSRM-CHWSQXEVSA-N 2 0 225.380 1.012 20 0 BDADRP Cc1c[nH+]ccc1N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000086887141 135100717 /nfs/dbraw/zinc/10/07/17/135100717.db2.gz SCHDLDGDOFEOFN-GHMZBOCLSA-N 2 0 205.305 1.564 20 0 BDADRP C[C@]1(C[N@@H+]2CCC3(CCC3)C2)CC[NH2+]C1 ZINC000261554516 135108423 /nfs/dbraw/zinc/10/84/23/135108423.db2.gz UIQWWGVXLBYWJZ-LBPRGKRZSA-N 2 0 208.349 1.862 20 0 BDADRP CC(C)[C@](C)(O)C[NH2+]C1CCC([NH3+])CC1 ZINC000261533244 135108581 /nfs/dbraw/zinc/10/85/81/135108581.db2.gz KNCDNJIHUJZUSC-HTAVTVPLSA-N 2 0 214.353 1.253 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@H]2CCCOC2)C1 ZINC000252770674 135108877 /nfs/dbraw/zinc/10/88/77/135108877.db2.gz IBKCHMYWLIVBQT-TUAOUCFPSA-N 2 0 212.337 1.082 20 0 BDADRP Cc1cccnc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252875784 135115085 /nfs/dbraw/zinc/11/50/85/135115085.db2.gz VUUJMUSKLITTDT-IHRRRGAJSA-N 2 0 245.370 1.949 20 0 BDADRP C[C@@H]1[C@H](C)SCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000253074156 135120301 /nfs/dbraw/zinc/12/03/01/135120301.db2.gz PKUOKWUKAAIKER-GRYCIOLGSA-N 2 0 228.405 1.812 20 0 BDADRP C[C@H]([NH3+])C[N@H+](C)CCC1CCOCC1 ZINC000258787533 135134026 /nfs/dbraw/zinc/13/40/26/135134026.db2.gz PSWXKBJSIFHQOZ-JTQLQIEISA-N 2 0 200.326 1.082 20 0 BDADRP CCc1ccc(C[NH2+]C[C@H](C)C[NH3+])cc1 ZINC000258821875 135134756 /nfs/dbraw/zinc/13/47/56/135134756.db2.gz UKJLFUJQGDSKCX-LLVKDONJSA-N 2 0 206.333 1.933 20 0 BDADRP C([C@@H]1CCSC1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257644441 135137306 /nfs/dbraw/zinc/13/73/06/135137306.db2.gz BTVWAHQUGVFTNI-STQMWFEESA-N 2 0 240.416 1.815 20 0 BDADRP C(C1CCOCC1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257652052 135138377 /nfs/dbraw/zinc/13/83/77/135138377.db2.gz DNLAMNZJEOLYDF-CQSZACIVSA-N 2 0 238.375 1.489 20 0 BDADRP COC[C@@H]([NH2+]CC1CC[NH+](C)CC1)C1CC1 ZINC000087479763 135144010 /nfs/dbraw/zinc/14/40/10/135144010.db2.gz FIDWKWMKKVGUCY-CYBMUJFWSA-N 2 0 226.364 1.343 20 0 BDADRP CCC1(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])CCOCC1 ZINC000261545621 135149119 /nfs/dbraw/zinc/14/91/19/135149119.db2.gz GDIUMEGEIMVSEA-OLZOCXBDSA-N 2 0 240.391 1.910 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1cn[nH]c1 ZINC000261529713 135156690 /nfs/dbraw/zinc/15/66/90/135156690.db2.gz BLSFTKFCDGIVEZ-INTQDDNPSA-N 2 0 208.309 1.330 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](C[C@@H]2CCSC2)C1 ZINC000261530145 135157693 /nfs/dbraw/zinc/15/76/93/135157693.db2.gz XKHRNJLSPWVVKG-WDEREUQCSA-N 2 0 214.378 1.410 20 0 BDADRP CC(C)(C)CC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261531446 135159908 /nfs/dbraw/zinc/15/99/08/135159908.db2.gz GODWNTBNSCIRMF-NWDGAFQWSA-N 2 0 210.365 1.964 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccsc3)C[C@H]12 ZINC000261531455 135160232 /nfs/dbraw/zinc/16/02/32/135160232.db2.gz GOSNKUFOSOYWGI-GRYCIOLGSA-N 2 0 222.357 1.917 20 0 BDADRP C([C@@H]1CCSC1)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261531696 135160777 /nfs/dbraw/zinc/16/07/77/135160777.db2.gz HNCOLRYTGPZFEX-QJPTWQEYSA-N 2 0 226.389 1.423 20 0 BDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1(CO)CC1 ZINC000261532412 135162360 /nfs/dbraw/zinc/16/23/60/135162360.db2.gz BCXIEJMTHOKLGH-VXGBXAGGSA-N 2 0 226.364 1.412 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1(CO)CC1 ZINC000261532409 135162932 /nfs/dbraw/zinc/16/29/32/135162932.db2.gz BCXIEJMTHOKLGH-NEPJUHHUSA-N 2 0 226.364 1.412 20 0 BDADRP CO[C@H](C)C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000261533402 135164977 /nfs/dbraw/zinc/16/49/77/135164977.db2.gz IAHRMIUQCXLUEJ-JHJVBQTASA-N 2 0 228.380 1.922 20 0 BDADRP CO[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CC[C@H]1C ZINC000261534201 135166423 /nfs/dbraw/zinc/16/64/23/135166423.db2.gz ORDVUJSXEXLFQQ-JHJVBQTASA-N 2 0 226.364 1.343 20 0 BDADRP COC[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000261534470 135166539 /nfs/dbraw/zinc/16/65/39/135166539.db2.gz QWEVFCQQAKOYHE-JHJVBQTASA-N 2 0 226.364 1.343 20 0 BDADRP FCC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000087776591 135167822 /nfs/dbraw/zinc/16/78/22/135167822.db2.gz QXHQRBDJEUSINM-LLVKDONJSA-N 2 0 200.301 1.420 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])c1nccs1 ZINC000261534719 135168023 /nfs/dbraw/zinc/16/80/23/135168023.db2.gz TWDBSVVZTXHDOX-OUAUKWLOSA-N 2 0 239.388 1.964 20 0 BDADRP C[C@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])c1nccs1 ZINC000261534721 135168307 /nfs/dbraw/zinc/16/83/07/135168307.db2.gz TWDBSVVZTXHDOX-VWYCJHECSA-N 2 0 239.388 1.964 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+]C[C@H]2CCCCO2)CC[NH2+]1 ZINC000261534978 135168557 /nfs/dbraw/zinc/16/85/57/135168557.db2.gz VAUMYMISDRSWQE-FRRDWIJNSA-N 2 0 226.364 1.533 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)CCCO1 ZINC000261535506 135169634 /nfs/dbraw/zinc/16/96/34/135169634.db2.gz ZXVGZWMAOHXBOF-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]C[C@H]1CCSC1 ZINC000261535532 135170067 /nfs/dbraw/zinc/17/00/67/135170067.db2.gz OMAXGHYIUQOOGE-GHMZBOCLSA-N 2 0 228.405 1.717 20 0 BDADRP C[C@@]1(C[NH2+]C2CC[NH2+]CC2)CCCS1 ZINC000087792801 135171273 /nfs/dbraw/zinc/17/12/73/135171273.db2.gz CHPGVPPCQFIZQH-NSHDSACASA-N 2 0 214.378 1.614 20 0 BDADRP CC1(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CCC1 ZINC000261536325 135171385 /nfs/dbraw/zinc/17/13/85/135171385.db2.gz RGMJTHMAGCYOIY-TUAOUCFPSA-N 2 0 208.349 1.846 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)[C@@H]1CCCO1 ZINC000261536799 135172913 /nfs/dbraw/zinc/17/29/13/135172913.db2.gz TUFJUHWCBNOWQW-RHYQMDGZSA-N 2 0 212.337 1.142 20 0 BDADRP C[C@H]1C[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)C[C@H]1C ZINC000261537171 135173756 /nfs/dbraw/zinc/17/37/56/135173756.db2.gz VBXVUKZKLBGDIC-XQHKEYJVSA-N 2 0 210.365 1.962 20 0 BDADRP COCC(C)(C)C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000261538039 135175159 /nfs/dbraw/zinc/17/51/59/135175159.db2.gz XFPKDULDMOARFQ-MNOVXSKESA-N 2 0 214.353 1.376 20 0 BDADRP COCC(C)(C)C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000261538040 135175343 /nfs/dbraw/zinc/17/53/43/135175343.db2.gz XFPKDULDMOARFQ-QWRGUYRKSA-N 2 0 214.353 1.376 20 0 BDADRP CO[C@H]1C[N@H+](CCC2CC[NH2+]CC2)CC[C@H]1C ZINC000261539612 135178204 /nfs/dbraw/zinc/17/82/04/135178204.db2.gz ALRGZEZXOAFTLY-OCCSQVGLSA-N 2 0 240.391 1.733 20 0 BDADRP CC(C)n1cc(CN2CC[C@@H]([C@H](C)[NH3+])C2)cn1 ZINC000261539951 135178696 /nfs/dbraw/zinc/17/86/96/135178696.db2.gz CSPHSWJNPDHTAP-WCQYABFASA-N 2 0 236.363 1.633 20 0 BDADRP CCC[C@](C)(CO)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000261540209 135179441 /nfs/dbraw/zinc/17/94/41/135179441.db2.gz DUKHHSHTHNUTHV-VXGBXAGGSA-N 2 0 214.353 1.127 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)CCCO1 ZINC000261540744 135180422 /nfs/dbraw/zinc/18/04/22/135180422.db2.gz HQCVBHMGKNJZDQ-HZSPNIEDSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H](c1cccnc1)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261542125 135182550 /nfs/dbraw/zinc/18/25/50/135182550.db2.gz BVIWQPVHFLACGH-SAXRGWBVSA-N 2 0 231.343 1.812 20 0 BDADRP CC[N@H+](C[C@H]1CCCO1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261544128 135185444 /nfs/dbraw/zinc/18/54/44/135185444.db2.gz XAIQCHNTBQJXPS-MGPQQGTHSA-N 2 0 240.391 1.875 20 0 BDADRP CO[C@H](C)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000261544689 135186243 /nfs/dbraw/zinc/18/62/43/135186243.db2.gz YTTYLMAJYFGYSP-ZOBORPQBSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H]1C[C@H](NCC[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000261548898 135187353 /nfs/dbraw/zinc/18/73/53/135187353.db2.gz OAOPSRSJSOXDDF-JSGCOSHPSA-N 2 0 233.359 1.198 20 0 BDADRP COC[C@@]1(CNc2cc[nH+]cc2C)CCC[NH2+]1 ZINC000261549899 135188923 /nfs/dbraw/zinc/18/89/23/135188923.db2.gz KYBMEYXQYNVLJJ-ZDUSSCGKSA-N 2 0 235.331 1.571 20 0 BDADRP CCOCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000084216112 135192288 /nfs/dbraw/zinc/19/22/88/135192288.db2.gz BONGANRAPBWHLJ-WDEREUQCSA-N 2 0 200.326 1.130 20 0 BDADRP Cn1nccc1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000084216833 135193286 /nfs/dbraw/zinc/19/32/86/135193286.db2.gz HGHOCUSWHONLER-CMPLNLGQSA-N 2 0 222.336 1.027 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCc3cccnc3)C[C@@H]12 ZINC000261553894 135193451 /nfs/dbraw/zinc/19/34/51/135193451.db2.gz OKVXLMATTDHKSP-MGPQQGTHSA-N 2 0 231.343 1.293 20 0 BDADRP Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)n1 ZINC000261554641 135194263 /nfs/dbraw/zinc/19/42/63/135194263.db2.gz BAAHUFOLXLNSFE-SRVKXCTJSA-N 2 0 247.342 1.265 20 0 BDADRP CCc1nc(C)cc(N2CCC(C[NH2+]C)CC2)n1 ZINC000261555700 135195530 /nfs/dbraw/zinc/19/55/30/135195530.db2.gz BRGSPMPQVGFFBX-UHFFFAOYSA-N 2 0 248.374 1.783 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1cnn(C)c1 ZINC000261556471 135197154 /nfs/dbraw/zinc/19/71/54/135197154.db2.gz QUBVGYSTWYCJOQ-DMDPSCGWSA-N 2 0 236.363 1.588 20 0 BDADRP Oc1cccc(CN2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261557187 135197572 /nfs/dbraw/zinc/19/75/72/135197572.db2.gz RMKGOUANGOQELV-STQMWFEESA-N 2 0 232.327 1.434 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]C1Cc2ccccc2C1 ZINC000261559319 135200229 /nfs/dbraw/zinc/20/02/29/135200229.db2.gz TXAUUFNXIRKWLB-ABAIWWIYSA-N 2 0 230.355 1.741 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCc1cccnc1 ZINC000261564153 135206211 /nfs/dbraw/zinc/20/62/11/135206211.db2.gz XNEWWOAIUIWYGG-ZDUSSCGKSA-N 2 0 233.359 1.602 20 0 BDADRP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000261565556 135208045 /nfs/dbraw/zinc/20/80/45/135208045.db2.gz HSQWGFAXSTZEIZ-HNNXBMFYSA-N 2 0 246.354 1.792 20 0 BDADRP Cc1ccc(C[N@H+](C)CCOCC[NH3+])s1 ZINC000261570089 135211944 /nfs/dbraw/zinc/21/19/44/135211944.db2.gz GPIKYUJYROGTPI-UHFFFAOYSA-N 2 0 228.361 1.464 20 0 BDADRP C[C@H](O)C[C@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261570981 135212923 /nfs/dbraw/zinc/21/29/23/135212923.db2.gz HGIIEYRPNYLEAJ-WCQYABFASA-N 2 0 226.364 1.221 20 0 BDADRP Cc1ncsc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261571317 135213423 /nfs/dbraw/zinc/21/34/23/135213423.db2.gz HKSHJJNZBBGMAH-HBNTYKKESA-N 2 0 237.372 1.621 20 0 BDADRP CC[C@H]1COCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000084384878 135218212 /nfs/dbraw/zinc/21/82/12/135218212.db2.gz FZLHEQWEBGRSAA-RYUDHWBXSA-N 2 0 212.337 1.097 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cocn2)C1 ZINC000261577019 135218721 /nfs/dbraw/zinc/21/87/21/135218721.db2.gz KTNXOGHHROCEPJ-JTQLQIEISA-N 2 0 209.293 1.235 20 0 BDADRP C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCCO1 ZINC000261580705 135221852 /nfs/dbraw/zinc/22/18/52/135221852.db2.gz NCOPPTUZYVTCDG-AVGNSLFASA-N 2 0 224.348 1.097 20 0 BDADRP C[N@H+](CCOCC[NH3+])CCC1CCCCC1 ZINC000261582381 135223619 /nfs/dbraw/zinc/22/36/19/135223619.db2.gz OHVOYOXRCGCYPH-UHFFFAOYSA-N 2 0 228.380 1.864 20 0 BDADRP Cc1cc(N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc[nH+]1 ZINC000261586702 135227613 /nfs/dbraw/zinc/22/76/13/135227613.db2.gz RIXWMHSRCOFBOT-DRZSPHRISA-N 2 0 217.316 1.564 20 0 BDADRP C[C@@]1(C[NH3+])CC[N@H+](CC[C@H]2CCOC2)C1 ZINC000261596172 135236128 /nfs/dbraw/zinc/23/61/28/135236128.db2.gz YOVHKFXWZPGIFH-RYUDHWBXSA-N 2 0 212.337 1.084 20 0 BDADRP C[C@H]1CSCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261547010 135239078 /nfs/dbraw/zinc/23/90/78/135239078.db2.gz LOERQXDSPGWNMX-NEPJUHHUSA-N 2 0 228.405 1.671 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000261547455 135239945 /nfs/dbraw/zinc/23/99/45/135239945.db2.gz ICVYYPDXWJUJMP-OLZOCXBDSA-N 2 0 240.391 1.923 20 0 BDADRP Cc1nccn1CC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000261547813 135240906 /nfs/dbraw/zinc/24/09/06/135240906.db2.gz IOYNKAGDZPKHKC-STQMWFEESA-N 2 0 236.363 1.299 20 0 BDADRP C[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)[C@@H](C)C[N@@H+]1C ZINC000261654263 135242326 /nfs/dbraw/zinc/24/23/26/135242326.db2.gz BGTBJKWNSHSIJM-FRRDWIJNSA-N 2 0 225.380 1.010 20 0 BDADRP Cc1noc(C)c1C[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000261728459 135248418 /nfs/dbraw/zinc/24/84/18/135248418.db2.gz NZYUNJSRWRWYMM-SKDRFNHKSA-N 2 0 237.347 1.769 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@@H]21 ZINC000261785398 135252433 /nfs/dbraw/zinc/25/24/33/135252433.db2.gz PSHUDJCBYOYXDS-HZSPNIEDSA-N 3 0 237.391 1.045 20 0 BDADRP CC(C)n1nccc1CN1C[C@@H](C[NH3+])C[C@H]1C ZINC000261796115 135253275 /nfs/dbraw/zinc/25/32/75/135253275.db2.gz GPHJXQAIDFGZEA-VXGBXAGGSA-N 2 0 236.363 1.633 20 0 BDADRP CC(C)([NH3+])CN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261873949 135259097 /nfs/dbraw/zinc/25/90/97/135259097.db2.gz SQYDIRMHLJOGPL-KGLIPLIRSA-N 3 0 247.386 1.398 20 0 BDADRP C[C@]1(C[N@H+](C[C@H]2CCOC2)C2CC2)CC[NH2+]C1 ZINC000261871915 135259427 /nfs/dbraw/zinc/25/94/27/135259427.db2.gz OZWXSKINKUUBCX-OCCSQVGLSA-N 2 0 238.375 1.487 20 0 BDADRP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261882477 135260244 /nfs/dbraw/zinc/26/02/44/135260244.db2.gz UTJJXJNTGLIFIA-LBPRGKRZSA-N 2 0 222.336 1.197 20 0 BDADRP COC(=O)C(C)(C)CC[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261912853 135262751 /nfs/dbraw/zinc/26/27/51/135262751.db2.gz JMGCIFDGHCPXNU-CYBMUJFWSA-N 2 0 242.363 1.246 20 0 BDADRP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)[C@H](C)[C@H](C)O1 ZINC000261921900 135263765 /nfs/dbraw/zinc/26/37/65/135263765.db2.gz KPMAJPRVFJVTON-UTUOFQBUSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C[C@@H]1CCC[NH2+]C1 ZINC000261928562 135263771 /nfs/dbraw/zinc/26/37/71/135263771.db2.gz LGZTUIATVLDGDA-JHJVBQTASA-N 2 0 225.380 1.010 20 0 BDADRP C[C@@H]1[C@H](C)N(C[C@H]2CCC[NH2+]C2)CC[N@H+]1C ZINC000261928555 135263824 /nfs/dbraw/zinc/26/38/24/135263824.db2.gz LGZTUIATVLDGDA-AGIUHOORSA-N 2 0 225.380 1.010 20 0 BDADRP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)[C@@H](C)CN1C ZINC000261979636 135269005 /nfs/dbraw/zinc/26/90/05/135269005.db2.gz RDBKUZWYIAHCST-NEPJUHHUSA-N 2 0 225.380 1.010 20 0 BDADRP C[C@H](C[NH3+])C(=O)NCC[NH2+]C1CCCCCC1 ZINC000262008614 135272068 /nfs/dbraw/zinc/27/20/68/135272068.db2.gz BSKHUIPWGHKZPW-LLVKDONJSA-N 2 0 241.379 1.010 20 0 BDADRP CCC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000262080555 135277496 /nfs/dbraw/zinc/27/74/96/135277496.db2.gz AXOMRLMSFKEHPZ-NEPJUHHUSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@]1(CN(CC[NH3+])Cc2ccccc2)CC[NH2+]C1 ZINC000262115834 135279880 /nfs/dbraw/zinc/27/98/80/135279880.db2.gz WXUFSSDJCKILGA-HNNXBMFYSA-N 2 0 247.386 1.447 20 0 BDADRP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000262121908 135280268 /nfs/dbraw/zinc/28/02/68/135280268.db2.gz MDJBJVZKYSSVIB-RFQIPJPRSA-N 2 0 238.375 1.125 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCOCC(F)F)C1 ZINC000262129490 135280674 /nfs/dbraw/zinc/28/06/74/135280674.db2.gz NTRIIWMJRVOCAS-NXEZZACHSA-N 2 0 236.306 1.327 20 0 BDADRP C[C@]1(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC[NH2+]C1 ZINC000262144496 135281543 /nfs/dbraw/zinc/28/15/43/135281543.db2.gz ZKHSEAZLCJCXFU-FQUUOJAGSA-N 3 0 237.391 1.045 20 0 BDADRP C[NH2+]CCC(=O)NCC[NH2+]C1CCCCCC1 ZINC000262222937 135286600 /nfs/dbraw/zinc/28/66/00/135286600.db2.gz PJWZZCCLFDTLRF-UHFFFAOYSA-N 2 0 241.379 1.025 20 0 BDADRP CCc1ccc([C@H]2C[NH2+]CCN2CC[NH3+])cc1 ZINC000262311624 135292276 /nfs/dbraw/zinc/29/22/76/135292276.db2.gz ZBKYXYXOCBMZJI-CQSZACIVSA-N 2 0 233.359 1.154 20 0 BDADRP CCCC[N@H+](C)CCNC(=O)[C@H]([NH3+])[C@H](C)CC ZINC000262709231 135314729 /nfs/dbraw/zinc/31/47/29/135314729.db2.gz OQKSSRZMUJCFNW-VXGBXAGGSA-N 2 0 243.395 1.208 20 0 BDADRP C[C@@H]([NH3+])CCC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000262892753 135323454 /nfs/dbraw/zinc/32/34/54/135323454.db2.gz XAJDAAFDFAAHLM-ZYHUDNBSSA-N 2 0 241.379 1.138 20 0 BDADRP C[C@@H]1CCN(CC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000263021750 135327210 /nfs/dbraw/zinc/32/72/10/135327210.db2.gz QZBXIGSCFOQZBC-CQSZACIVSA-N 2 0 247.386 1.542 20 0 BDADRP CCC[NH2+]CCNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000263070178 135330650 /nfs/dbraw/zinc/33/06/50/135330650.db2.gz WMCAPZJSRIUBSG-DGCLKSJQSA-N 2 0 241.379 1.010 20 0 BDADRP CCC[C@H](C)C[N@H+](C)C1CCN(CCO)CC1 ZINC000342945327 135337903 /nfs/dbraw/zinc/33/79/03/135337903.db2.gz XKCKMVTWMQNPHN-ZDUSSCGKSA-N 2 0 242.407 1.811 20 0 BDADRP C([C@@H]1CCOC1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000334310849 135350759 /nfs/dbraw/zinc/35/07/59/135350759.db2.gz KZUGTPUJYFZDJZ-GXTWGEPZSA-N 2 0 238.375 1.344 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000334313163 135351703 /nfs/dbraw/zinc/35/17/03/135351703.db2.gz LOEUQYXXIJWQDD-LLVKDONJSA-N 3 0 225.380 1.045 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCSC1 ZINC000299962791 135383172 /nfs/dbraw/zinc/38/31/72/135383172.db2.gz GXEOXROYBYBUKJ-DDHJBXDOSA-N 2 0 228.405 1.810 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]C2CCSCC2)C1 ZINC000334848103 135822417 /nfs/dbraw/zinc/82/24/17/135822417.db2.gz HXCJPJGQKLWXBY-WDEREUQCSA-N 2 0 228.405 1.989 20 0 BDADRP CC[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000334967294 135852995 /nfs/dbraw/zinc/85/29/95/135852995.db2.gz IYFLBNGENUXWME-NWDGAFQWSA-N 2 0 212.337 1.225 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1C[C@@H]1C(F)F ZINC000348156668 136040760 /nfs/dbraw/zinc/04/07/60/136040760.db2.gz ITHHUOWOUMUFOI-SAVGLBRCSA-N 2 0 232.318 1.958 20 0 BDADRP C[C@]1(CN2C[C@H]([NH3+])Cc3ccccc32)CC[NH2+]C1 ZINC000335354881 136070997 /nfs/dbraw/zinc/07/09/97/136070997.db2.gz CAKGZTNOJUABRZ-HIFRSBDPSA-N 2 0 245.370 1.376 20 0 BDADRP c1ccc2c(c1)CCC[C@H]2[NH2+]CC1C[NH2+]C1 ZINC000335551941 136098472 /nfs/dbraw/zinc/09/84/72/136098472.db2.gz LPFJUATYCQJBJA-CQSZACIVSA-N 2 0 216.328 1.873 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@H]2CCCNC2)CC1 ZINC000335554134 136098834 /nfs/dbraw/zinc/09/88/34/136098834.db2.gz DKMGUXNYRYURIF-CPCZMJQVSA-N 2 0 225.380 1.201 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000335562278 136106576 /nfs/dbraw/zinc/10/65/76/136106576.db2.gz BKQHDQJJTXBGKT-RYUDHWBXSA-N 3 0 225.380 1.188 20 0 BDADRP COC[C@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000335570841 136109173 /nfs/dbraw/zinc/10/91/73/136109173.db2.gz VTNYHRZSSFXXBT-NWDGAFQWSA-N 2 0 212.337 1.049 20 0 BDADRP [NH3+][C@@H]1Cc2ccccc2N(CC[C@H]2CC[NH2+]C2)C1 ZINC000335599185 136114028 /nfs/dbraw/zinc/11/40/28/136114028.db2.gz OMYFBOBZFBHLFW-TZMCWYRMSA-N 2 0 245.370 1.376 20 0 BDADRP CC1(F)CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000257843661 397830580 /nfs/dbraw/zinc/83/05/80/397830580.db2.gz CLFCDRKBPADXQV-SNVBAGLBSA-N 2 0 200.301 1.420 20 0 BDADRP CN1CCC([NH2+]C2(CF)CCC2)CC1 ZINC000335448650 397873544 /nfs/dbraw/zinc/87/35/44/397873544.db2.gz CUEJXCIICKGMGQ-UHFFFAOYSA-N 2 0 200.301 1.562 20 0 BDADRP CN(C[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](C2CC2)C1 ZINC000649528508 397921090 /nfs/dbraw/zinc/92/10/90/397921090.db2.gz LSPUCVNHRPRWTL-ZIAGYGMSSA-N 2 0 237.391 1.249 20 0 BDADRP C[NH2+][C@H]1CCCN(C[C@@H]([NH3+])CC(C)C)C1 ZINC000414672237 398012201 /nfs/dbraw/zinc/01/22/01/398012201.db2.gz NLUAMCOHJSBRFJ-RYUDHWBXSA-N 2 0 213.369 1.044 20 0 BDADRP [NH3+]CCC[N@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000414689245 398018570 /nfs/dbraw/zinc/01/85/70/398018570.db2.gz FOOOBUKQIDYHEM-HNNXBMFYSA-N 2 0 248.370 1.707 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](C)O[C@H]2C)[C@H](C)C1 ZINC000649700276 398047692 /nfs/dbraw/zinc/04/76/92/398047692.db2.gz DZEUWCRBPCAUSY-IKOXMDCHSA-N 2 0 240.391 1.872 20 0 BDADRP CC[N@H+](C)C[C@H]1CCN(C[C@H]([NH3+])CC(C)C)C1 ZINC000414705283 398021110 /nfs/dbraw/zinc/02/11/10/398021110.db2.gz LIBPHHYBFXBYBA-ZIAGYGMSSA-N 2 0 241.423 1.633 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+]CCC2CCOCC2)C1 ZINC000383887214 398047877 /nfs/dbraw/zinc/04/78/77/398047877.db2.gz TXEYVJPFKJNIPF-AWEZNQCLSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@H]1C[C@@H](CN2CCC[C@H]3C[NH2+]C[C@H]32)CC[NH2+]1 ZINC000414781802 398037539 /nfs/dbraw/zinc/03/75/39/398037539.db2.gz DDCLLQBOIBXZNG-XDQVBPFNSA-N 2 0 237.391 1.058 20 0 BDADRP COCc1ccc(CN2CC[C@H]([NH3+])[C@@H](C)C2)o1 ZINC000382764332 397972020 /nfs/dbraw/zinc/97/20/20/397972020.db2.gz SHVOXUGOPMZQPF-GWCFXTLKSA-N 2 0 238.331 1.595 20 0 BDADRP C[N@H+](CCOc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000382750833 397972360 /nfs/dbraw/zinc/97/23/60/397972360.db2.gz FYAMTUIVYNVONO-CYBMUJFWSA-N 2 0 234.343 1.607 20 0 BDADRP CC[C@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186600287 398069592 /nfs/dbraw/zinc/06/95/92/398069592.db2.gz ATRPTZKCJRBTSW-STQMWFEESA-N 2 0 227.396 1.401 20 0 BDADRP CC[C@H]1CN(CC[C@@H]2CCC[N@@H+]2C)CCO1 ZINC000161700473 398070688 /nfs/dbraw/zinc/07/06/88/398070688.db2.gz RITFDEVZVYNPFS-STQMWFEESA-N 2 0 226.364 1.582 20 0 BDADRP CC1(C[NH+]2CCC3(CC[NH2+]C3)CC2)CC1 ZINC000379464869 398093990 /nfs/dbraw/zinc/09/39/90/398093990.db2.gz WKPUYDZXKDRHRZ-UHFFFAOYSA-N 2 0 208.349 1.862 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)[C@@H](C)O1 ZINC000384735924 398103332 /nfs/dbraw/zinc/10/33/32/398103332.db2.gz KPXOWCSAPUFSEB-ZIQFBCGOSA-N 2 0 212.337 1.412 20 0 BDADRP COC[C@@]1(C[NH2+][C@H](C)CCC2CC2)CCC[NH2+]1 ZINC000414957610 398126939 /nfs/dbraw/zinc/12/69/39/398126939.db2.gz QFHUPXVAXLYUQP-OCCSQVGLSA-N 2 0 240.391 1.923 20 0 BDADRP CC(C)[NH2+]C1CC[NH+](CC2(O)CCCC2)CC1 ZINC000336710253 167094960 /nfs/dbraw/zinc/09/49/60/167094960.db2.gz QLQQBMVRSOFKOO-UHFFFAOYSA-N 2 0 240.391 1.754 20 0 BDADRP CC(C)OC1CC([NH2+][C@@H](C)CC[NH+](C)C)C1 ZINC000336733783 167177120 /nfs/dbraw/zinc/17/71/20/167177120.db2.gz GVVBYNMUUHWCFI-HIFPTAJRSA-N 2 0 228.380 1.872 20 0 BDADRP CC(C)OCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000049260915 167228683 /nfs/dbraw/zinc/22/86/83/167228683.db2.gz QKAZGFJSYXLNMJ-FUNVUKJBSA-N 2 0 226.364 1.626 20 0 BDADRP CC(C)OC[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000309528407 167264322 /nfs/dbraw/zinc/26/43/22/167264322.db2.gz CYMHWASZXFWCRR-LBPRGKRZSA-N 2 0 228.380 1.731 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)[C@H]2C[C@H]([NH3+])C2)c1 ZINC000662400024 487598563 /nfs/dbraw/zinc/59/85/63/487598563.db2.gz YQMJZYIATAJKHG-XYPYZODXSA-N 2 0 233.315 1.082 20 0 BDADRP C[C@H](NC(=O)[C@H](C)[NH+](C)C)C(C)(C)C[NH+](C)C ZINC000674716245 487608612 /nfs/dbraw/zinc/60/86/12/487608612.db2.gz ZOQSGYRYENPBIR-QWRGUYRKSA-N 2 0 243.395 1.029 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H](OC)C2CCCC2)C1 ZINC000662244135 409536025 /nfs/dbraw/zinc/53/60/25/409536025.db2.gz CRKCLSGTRUXEJG-GXTWGEPZSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1C[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)C[C@H]1C ZINC000662253589 409553197 /nfs/dbraw/zinc/55/31/97/409553197.db2.gz ANXOVWXQOTXFRC-IJLUTSLNSA-N 2 0 224.348 1.095 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC1CC=CC1 ZINC000662276812 409589849 /nfs/dbraw/zinc/58/98/49/409589849.db2.gz LDVHUJGVRCWIBC-LBPRGKRZSA-N 2 0 208.349 1.930 20 0 BDADRP CC[N@H+](CCOC)[C@@H]1CCC[NH2+]CC1 ZINC000082666824 409850722 /nfs/dbraw/zinc/85/07/22/409850722.db2.gz IKIRWODBPLOELL-LLVKDONJSA-N 2 0 200.326 1.097 20 0 BDADRP CC(C)(CC[NH3+])NC(=O)c1cccc2c1C[NH2+]C2 ZINC000662818084 409932126 /nfs/dbraw/zinc/93/21/26/409932126.db2.gz OKIFVRASZMJSNW-UHFFFAOYSA-N 2 0 247.342 1.147 20 0 BDADRP CCO[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000051919264 409940911 /nfs/dbraw/zinc/94/09/11/409940911.db2.gz SRBCDBYEKNDQBF-UONOGXRCSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@@H]([NH2+]C[C@@H](O)C1CCC1)C1CC[NH+](C)CC1 ZINC000316009306 410095797 /nfs/dbraw/zinc/09/57/97/410095797.db2.gz RQORNEVDDLSWOZ-BXUZGUMPSA-N 2 0 240.391 1.467 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)C1 ZINC000309018455 410196866 /nfs/dbraw/zinc/19/68/66/410196866.db2.gz SCIREEXXSBUPKF-RYUDHWBXSA-N 2 0 214.353 1.029 20 0 BDADRP C[C@H]1OCC[C@H]1[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650718106 410355348 /nfs/dbraw/zinc/35/53/48/410355348.db2.gz YFZMDOMMAINWMC-NOZJJQNGSA-N 2 0 238.306 1.551 20 0 BDADRP CC(C)C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707259 410337755 /nfs/dbraw/zinc/33/77/55/410337755.db2.gz BVMLLJFRBGZEMV-MELADBBJSA-N 2 0 240.391 1.861 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+]CCC2(C[NH3+])CC2)CC[NH2+]1 ZINC000650713800 410345759 /nfs/dbraw/zinc/34/57/59/410345759.db2.gz CETMBCQEZAXIGZ-VXGBXAGGSA-N 3 0 225.380 1.093 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CCC2(C[NH3+])CC2)[C@H](C)C1 ZINC000650714315 410347349 /nfs/dbraw/zinc/34/73/49/410347349.db2.gz YMUXLSHHABIKBK-OLZOCXBDSA-N 3 0 239.407 1.435 20 0 BDADRP Cc1ncc([C@H](C)[NH2+]CCC2(C[NH3+])CC2)c(C)n1 ZINC000650744132 410379804 /nfs/dbraw/zinc/37/98/04/410379804.db2.gz GZXUGVGPRDEFMQ-JTQLQIEISA-N 2 0 248.374 1.873 20 0 BDADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)C1CCOCC1 ZINC000650744712 410381037 /nfs/dbraw/zinc/38/10/37/410381037.db2.gz URMBSMCVMXGEHX-NSHDSACASA-N 2 0 226.364 1.520 20 0 BDADRP Cc1ncc([C@@H](C)[NH2+]CCC2(C[NH3+])CC2)c(C)n1 ZINC000650744133 410381126 /nfs/dbraw/zinc/38/11/26/410381126.db2.gz GZXUGVGPRDEFMQ-SNVBAGLBSA-N 2 0 248.374 1.873 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCC2(C[NH3+])CC2)CC[N@@H+]1C ZINC000650744589 410381535 /nfs/dbraw/zinc/38/15/35/410381535.db2.gz RILJYGNFQLWRGG-NWDGAFQWSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650746168 410382833 /nfs/dbraw/zinc/38/28/33/410382833.db2.gz XQDSNHYYVZSJIL-AAEUAGOBSA-N 2 0 237.391 1.188 20 0 BDADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccncc1 ZINC000650745160 410383191 /nfs/dbraw/zinc/38/31/91/410383191.db2.gz AUDXJGIZAKRYCD-NSHDSACASA-N 2 0 219.332 1.861 20 0 BDADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1nccn1C ZINC000650746061 410384532 /nfs/dbraw/zinc/38/45/32/410384532.db2.gz VCRIJZBGDBTDDK-JTQLQIEISA-N 2 0 222.336 1.200 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650746937 410384880 /nfs/dbraw/zinc/38/48/80/410384880.db2.gz NQNLZDWHHJWJCZ-STQMWFEESA-N 2 0 240.391 1.910 20 0 BDADRP CCn1ccnc1[C@H](C)[NH2+]CCC1(C[NH3+])CC1 ZINC000650746893 410385070 /nfs/dbraw/zinc/38/50/70/410385070.db2.gz NBIJXZVESGLCFL-NSHDSACASA-N 2 0 236.363 1.683 20 0 BDADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1cccc(CO)c1 ZINC000650745951 410385726 /nfs/dbraw/zinc/38/57/26/410385726.db2.gz RVEVONJFKWQWHA-LBPRGKRZSA-N 2 0 248.370 1.959 20 0 BDADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)[C@H]1CCCC[NH2+]1 ZINC000650747710 410387791 /nfs/dbraw/zinc/38/77/91/410387791.db2.gz GDLIMMRQFMZSLK-NWDGAFQWSA-N 3 0 225.380 1.236 20 0 BDADRP [NH3+]CC1(CC[NH2+][C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000650748653 410390409 /nfs/dbraw/zinc/39/04/09/410390409.db2.gz YWJXASOXWJKIPA-RYUDHWBXSA-N 3 0 225.380 1.365 20 0 BDADRP C[NH2+]Cc1ccccc1CN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000650755871 410400987 /nfs/dbraw/zinc/40/09/87/410400987.db2.gz OPHWQLUTBFXTMT-SWLSCSKDSA-N 2 0 247.386 1.636 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000650756094 410401651 /nfs/dbraw/zinc/40/16/51/410401651.db2.gz UNHQWQVPSUKQJH-LLVKDONJSA-N 2 0 233.359 1.104 20 0 BDADRP CCOC[C@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650763500 410414318 /nfs/dbraw/zinc/41/43/18/410414318.db2.gz BYWMPUJJNCKHLB-NSHDSACASA-N 2 0 214.353 1.391 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000300398269 410533318 /nfs/dbraw/zinc/53/33/18/410533318.db2.gz SVQAUNBFXDIALG-RWMBFGLXSA-N 2 0 228.380 1.502 20 0 BDADRP CC[NH+](CC)CC(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000357361928 169764129 /nfs/dbraw/zinc/76/41/29/169764129.db2.gz GBZKTEVCMWEIJW-GFCCVEGCSA-N 2 0 241.379 1.058 20 0 BDADRP C[C@H]([NH2+]CCCc1ccco1)C1C[NH2+]C1 ZINC000665282708 410761636 /nfs/dbraw/zinc/76/16/36/410761636.db2.gz AFHWKBLLGJXQOT-JTQLQIEISA-N 2 0 208.305 1.410 20 0 BDADRP C[NH2+]C[C@H](C)N[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000665297812 410823797 /nfs/dbraw/zinc/82/37/97/410823797.db2.gz LZAFFJPLNYVOTE-UMSGYPCISA-N 2 0 225.380 1.057 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)[C@H](C)O1 ZINC000395042843 410834063 /nfs/dbraw/zinc/83/40/63/410834063.db2.gz JVSJPWKAAJOYTP-KXNHARMFSA-N 2 0 212.337 1.284 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H](C)C[NH3+] ZINC000044798942 169776351 /nfs/dbraw/zinc/77/63/51/169776351.db2.gz IEUYQRWLEYNNQC-RYUDHWBXSA-N 2 0 243.395 1.208 20 0 BDADRP CC(C)C[NH+]1CCN([C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000062949048 166973538 /nfs/dbraw/zinc/97/35/38/166973538.db2.gz NTHIVYFLPAFEAH-ZIAGYGMSSA-N 2 0 239.407 1.401 20 0 BDADRP CC[C@H](C)[C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C(C)C ZINC000309238503 410903925 /nfs/dbraw/zinc/90/39/25/410903925.db2.gz KCKDXCXPEGOUFB-XQQFMLRXSA-N 2 0 230.396 1.712 20 0 BDADRP CC[C@H](O)[C@H](CC)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000313085686 410899340 /nfs/dbraw/zinc/89/93/40/410899340.db2.gz KNPIIQWCXJOWAE-USZNOCQGSA-N 2 0 214.353 1.395 20 0 BDADRP CC(C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000037480282 167101762 /nfs/dbraw/zinc/10/17/62/167101762.db2.gz IRWKRNQXMCOPBC-UHFFFAOYSA-N 2 0 213.369 1.012 20 0 BDADRP CC(C)OCC[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252789916 167233886 /nfs/dbraw/zinc/23/38/86/167233886.db2.gz YHVYZVYHIKVTIX-QWRGUYRKSA-N 2 0 200.326 1.081 20 0 BDADRP CC(C)[C@@H](CCO)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000123738796 167391544 /nfs/dbraw/zinc/39/15/44/167391544.db2.gz UXVOGZUDVGZUSX-CQSZACIVSA-N 2 0 242.407 1.856 20 0 BDADRP Cc1cnccc1CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000397549057 410926501 /nfs/dbraw/zinc/92/65/01/410926501.db2.gz YURMLEVCLOVTBB-KBPBESRZSA-N 2 0 231.343 1.084 20 0 BDADRP CC[C@@H]1C[N@H+](CCc2cnn(C)c2)CC[C@H]1[NH3+] ZINC000300016276 411076793 /nfs/dbraw/zinc/07/67/93/411076793.db2.gz MFQBZAQSIBGTQS-CHWSQXEVSA-N 2 0 236.363 1.022 20 0 BDADRP C1=C(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)COCC1 ZINC000400922757 411163086 /nfs/dbraw/zinc/16/30/86/411163086.db2.gz GIAIZZKDPPFVQJ-MELADBBJSA-N 2 0 236.359 1.311 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400919762 411163260 /nfs/dbraw/zinc/16/32/60/411163260.db2.gz IVWGAYDEDPPSQQ-SYLRKERUSA-N 2 0 208.349 1.620 20 0 BDADRP c1coc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000400940069 411163796 /nfs/dbraw/zinc/16/37/96/411163796.db2.gz AVMLIRIVJZJOFN-IJLUTSLNSA-N 2 0 220.316 1.757 20 0 BDADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC[C@@H]1CCOC1)C2 ZINC000400634478 411157383 /nfs/dbraw/zinc/15/73/83/411157383.db2.gz QAOSFZNXXSHTJB-RDBSUJKOSA-N 2 0 238.375 1.474 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCCC[C@@H]1CO ZINC000653783941 411170080 /nfs/dbraw/zinc/17/00/80/411170080.db2.gz YTZKUOPWVFZKQD-UONOGXRCSA-N 2 0 240.391 1.708 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CCCCC[C@H]1CO ZINC000653784009 411171018 /nfs/dbraw/zinc/17/10/18/411171018.db2.gz BMTUADDBSLTIAB-AWEZNQCLSA-N 2 0 242.407 1.955 20 0 BDADRP C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401028658 411173697 /nfs/dbraw/zinc/17/36/97/411173697.db2.gz KKLQDNQWIYKBJE-LBELIVKGSA-N 2 0 240.416 1.716 20 0 BDADRP C[C@H](CCCO)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401037970 411173712 /nfs/dbraw/zinc/17/37/12/411173712.db2.gz ZQRHBCIKHDCOSD-YVECIDJPSA-N 2 0 226.364 1.125 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]CCC[N@H+](C)CC(C)C ZINC000652222110 411175986 /nfs/dbraw/zinc/17/59/86/411175986.db2.gz FVVNBDAJHKZTAS-QWHCGFSZSA-N 2 0 230.396 1.977 20 0 BDADRP C(CC1CC[NH2+]CC1)CN1CCC[NH2+]CC1 ZINC000401080187 411176787 /nfs/dbraw/zinc/17/67/87/411176787.db2.gz VSOYYKXRNLVKKD-UHFFFAOYSA-N 2 0 225.380 1.062 20 0 BDADRP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@@H]1CCCO1 ZINC000658098700 411244615 /nfs/dbraw/zinc/24/46/15/411244615.db2.gz SQSAFASVSBFMCQ-WCFLWFBJSA-N 2 0 224.348 1.238 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](NCC2([NH3+])CCCCC2)C1 ZINC000656192553 411198411 /nfs/dbraw/zinc/19/84/11/411198411.db2.gz BNWCBJQKNHJCTP-NEPJUHHUSA-N 2 0 225.380 1.508 20 0 BDADRP COc1cccc2c1OCC[C@@H]2[NH2+]CCC[NH3+] ZINC000656194183 411199411 /nfs/dbraw/zinc/19/94/11/411199411.db2.gz BZDKHHZVBBJWAV-NSHDSACASA-N 2 0 236.315 1.457 20 0 BDADRP C[C@H](O)C[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)C1CC1 ZINC000656194208 411199996 /nfs/dbraw/zinc/19/99/96/411199996.db2.gz DTIKEXNADARRQC-GRYCIOLGSA-N 2 0 226.364 1.220 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+][C@H]2CC[C@@H](CO)CC2)C1 ZINC000656198157 411203308 /nfs/dbraw/zinc/20/33/08/411203308.db2.gz HUNOTZJMADKSIZ-WUHRBBMRSA-N 2 0 226.364 1.397 20 0 BDADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC2(C1)CCCCC2 ZINC000652338156 411204131 /nfs/dbraw/zinc/20/41/31/411204131.db2.gz GULMOMJZGQMOJZ-ZDUSSCGKSA-N 2 0 240.391 1.613 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000656200122 411204905 /nfs/dbraw/zinc/20/49/05/411204905.db2.gz JXZVQXYICSEAFW-XJFOESAGSA-N 3 0 239.407 1.576 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000656199749 411204919 /nfs/dbraw/zinc/20/49/19/411204919.db2.gz BXSTWBRZTVVREK-ZDEQEGDKSA-N 3 0 225.380 1.186 20 0 BDADRP C[C@H](Cc1ccccn1)N[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000656201231 411206488 /nfs/dbraw/zinc/20/64/88/411206488.db2.gz LADZTLZSCVLJQC-BZPMIXESSA-N 2 0 233.359 1.743 20 0 BDADRP COCC1(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000656201709 411207487 /nfs/dbraw/zinc/20/74/87/411207487.db2.gz XRCWAHWNUZPESY-NWDGAFQWSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H](Cc1ccccn1)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000656201893 411207606 /nfs/dbraw/zinc/20/76/06/411207606.db2.gz USAMAPNGRFOHDX-SDDRHHMPSA-N 2 0 221.348 1.728 20 0 BDADRP C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)OCC1CCCC1 ZINC000656417110 411245808 /nfs/dbraw/zinc/24/58/08/411245808.db2.gz UZBICHOKXRAWES-ZIAGYGMSSA-N 2 0 238.375 1.344 20 0 BDADRP CC(C)[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652345922 411208919 /nfs/dbraw/zinc/20/89/19/411208919.db2.gz PAWPMZGNWWPIAA-XQQFMLRXSA-N 2 0 226.364 1.613 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652360798 411216001 /nfs/dbraw/zinc/21/60/01/411216001.db2.gz QOYXAVJEWNGDCJ-IJLUTSLNSA-N 2 0 212.337 1.367 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)C1(C)CC1 ZINC000310226850 411227617 /nfs/dbraw/zinc/22/76/17/411227617.db2.gz GXBCTAHBSTYIQL-STQMWFEESA-N 2 0 242.407 1.808 20 0 BDADRP COC[C@H](CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)OC ZINC000658082035 411233329 /nfs/dbraw/zinc/23/33/29/411233329.db2.gz FZAKDFGLNPDSPD-XQQFMLRXSA-N 2 0 244.379 1.110 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCC1(C)C ZINC000310327199 411234030 /nfs/dbraw/zinc/23/40/30/411234030.db2.gz AXFUIGJJKZFBHF-CHWSQXEVSA-N 2 0 242.407 1.856 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CN[C@@H](C)C1C[NH2+]C1 ZINC000422905644 411235216 /nfs/dbraw/zinc/23/52/16/411235216.db2.gz IMSZIKSIPWEXAY-WCQYABFASA-N 2 0 225.380 1.058 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000423173551 411236395 /nfs/dbraw/zinc/23/63/95/411236395.db2.gz ZDKHFHQPVKFAJX-OLZOCXBDSA-N 3 0 227.396 1.435 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CCC[NH2+]1 ZINC000423173583 411236576 /nfs/dbraw/zinc/23/65/76/411236576.db2.gz ZGYOWLUECJAZIS-OBPIAQAESA-N 2 0 208.349 1.905 20 0 BDADRP CC(C)OCCC[NH+]1CCC(C)([NH3+])CC1 ZINC000309401488 411242062 /nfs/dbraw/zinc/24/20/62/411242062.db2.gz HKHGFLDRPYVPSE-UHFFFAOYSA-N 2 0 214.353 1.615 20 0 BDADRP C(CC1CC1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400951443 411166326 /nfs/dbraw/zinc/16/63/26/411166326.db2.gz WXQFUBFSRPKSRY-JHJVBQTASA-N 2 0 208.349 1.764 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400958987 411166562 /nfs/dbraw/zinc/16/65/62/411166562.db2.gz KLZBTGLBYUJWHD-REWJHTLYSA-N 2 0 240.391 1.373 20 0 BDADRP OCCC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000400953606 411166712 /nfs/dbraw/zinc/16/67/12/411166712.db2.gz GGXXTNXBWNHQLB-RWMBFGLXSA-N 2 0 238.375 1.127 20 0 BDADRP C(CC1CC1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400951441 411166806 /nfs/dbraw/zinc/16/68/06/411166806.db2.gz WXQFUBFSRPKSRY-FRRDWIJNSA-N 2 0 208.349 1.764 20 0 BDADRP CCCCOCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400973546 411167489 /nfs/dbraw/zinc/16/74/89/411167489.db2.gz QNSXNWZBCFBCIY-BFHYXJOUSA-N 2 0 240.391 1.781 20 0 BDADRP C1[C@@H]2C[C@@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C[C@H]12 ZINC000400974915 411167774 /nfs/dbraw/zinc/16/77/74/411167774.db2.gz GDJHECUYHZYWKU-UYYXNEDZSA-N 2 0 220.360 1.763 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H](C)C2(CO)CC2)CC1 ZINC000658159426 411272670 /nfs/dbraw/zinc/27/26/70/411272670.db2.gz JTNYSCIYBKOPTD-GFCCVEGCSA-N 2 0 240.391 1.611 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC3(F)CC3)C[C@H]21 ZINC000309420161 411306976 /nfs/dbraw/zinc/30/69/76/411306976.db2.gz XUMCPRMISLXCHB-HBNTYKKESA-N 2 0 212.312 1.548 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@H](CO)CC2CC2)CC1 ZINC000658246488 411311047 /nfs/dbraw/zinc/31/10/47/411311047.db2.gz DIIWJGGSBYGUDK-CYBMUJFWSA-N 2 0 240.391 1.469 20 0 BDADRP O[C@@H]1CCCC[C@H]1[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000656696023 411333024 /nfs/dbraw/zinc/33/30/24/411333024.db2.gz CCLROUGAXBSXTD-BFHYXJOUSA-N 2 0 249.358 1.824 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)CCO1 ZINC000309801969 411252602 /nfs/dbraw/zinc/25/26/02/411252602.db2.gz WRATVHIIMPGLIZ-RWMBFGLXSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@H](C[NH2+]CC(C)(C)[NH3+])c1ccccn1 ZINC000656783386 411359794 /nfs/dbraw/zinc/35/97/94/411359794.db2.gz QRPMXDOOKNKWHW-SNVBAGLBSA-N 2 0 207.321 1.512 20 0 BDADRP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1cccc(N)c1 ZINC000656784924 411361163 /nfs/dbraw/zinc/36/11/63/411361163.db2.gz HYZXYBUKMRQZBZ-FZMZJTMJSA-N 2 0 233.359 1.889 20 0 BDADRP CC[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)[C@@H](CC)CO1 ZINC000403877489 411363036 /nfs/dbraw/zinc/36/30/36/411363036.db2.gz SXXCHGRHIGQUGH-MELADBBJSA-N 2 0 240.391 1.875 20 0 BDADRP Nc1cccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000656786013 411364108 /nfs/dbraw/zinc/36/41/08/411364108.db2.gz SWSZYEHRYWABKJ-CHWSQXEVSA-N 2 0 219.332 1.628 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]Cc1ccc2c(c1)C[NH2+]CC2 ZINC000656785447 411364142 /nfs/dbraw/zinc/36/41/42/411364142.db2.gz HMQZMUFGMXDFEA-NSHDSACASA-N 3 0 233.359 1.017 20 0 BDADRP CCOC[C@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC000656789540 411369242 /nfs/dbraw/zinc/36/92/42/411369242.db2.gz PVADMBAOJHJPLB-JTQLQIEISA-N 2 0 200.326 1.273 20 0 BDADRP [NH3+]C1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCCC1 ZINC000656789584 411369556 /nfs/dbraw/zinc/36/95/56/411369556.db2.gz RPZFGDLERZZWTF-YNEHKIRRSA-N 3 0 237.391 1.236 20 0 BDADRP [NH3+][C@H]1CCC[C@@H](NCC2([NH3+])CCCC2)C1 ZINC000656789383 411369568 /nfs/dbraw/zinc/36/95/68/411369568.db2.gz NOWJELAWBZMREA-WDEREUQCSA-N 2 0 211.353 1.117 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)CC[NH2+]1 ZINC000656790800 411370392 /nfs/dbraw/zinc/37/03/92/411370392.db2.gz ARLVBTCZGGQXHP-MQYQWHSLSA-N 2 0 240.391 1.874 20 0 BDADRP Nc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000656791663 411371255 /nfs/dbraw/zinc/37/12/55/411371255.db2.gz KTHHXEPYPUXEMD-DZGCQCFKSA-N 2 0 245.370 1.988 20 0 BDADRP c1cc([C@@H]2C[NH2+]CCO2)ccc1N[C@H]1CC[NH2+]C1 ZINC000656793255 411372128 /nfs/dbraw/zinc/37/21/28/411372128.db2.gz SBMXXVUNSXSABO-KBPBESRZSA-N 2 0 247.342 1.121 20 0 BDADRP CO[C@@]1(C)C[C@H]1[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000658335047 411343858 /nfs/dbraw/zinc/34/38/58/411343858.db2.gz ZZXJWRFSHNSEKI-OLZOCXBDSA-N 2 0 226.364 1.626 20 0 BDADRP COc1ccc2c(c1)CCN(CC(C)(C)[NH3+])C2 ZINC000656792445 411372555 /nfs/dbraw/zinc/37/25/55/411372555.db2.gz QYINZMMVFLGRMA-UHFFFAOYSA-N 2 0 234.343 1.791 20 0 BDADRP CC1(C)[C@H]([NH2+]C2CCC([NH3+])CC2)[C@@H]2CCO[C@H]21 ZINC000227072465 168004608 /nfs/dbraw/zinc/00/46/08/168004608.db2.gz OUNVKCQBZZBNLM-FQLQODGNSA-N 2 0 238.375 1.659 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000119913257 168179073 /nfs/dbraw/zinc/17/90/73/168179073.db2.gz XWHDGIPELOSKPD-KBPBESRZSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CCN1CCC(C)CC1 ZINC000336679858 168180241 /nfs/dbraw/zinc/18/02/41/168180241.db2.gz DIFPOXZSMHMUSH-AWEZNQCLSA-N 2 0 241.423 1.825 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CCN1CCC(C)CC1 ZINC000336648741 168180645 /nfs/dbraw/zinc/18/06/45/168180645.db2.gz GNIKOUCYNVKOQV-CYBMUJFWSA-N 2 0 227.396 1.435 20 0 BDADRP C[NH+](C)C[C@H]1CC[N@@H+]([C@H]2COC(C)(C)C2)C1 ZINC000659929118 411384616 /nfs/dbraw/zinc/38/46/16/411384616.db2.gz WYSOCGNDSODJNI-VXGBXAGGSA-N 2 0 226.364 1.437 20 0 BDADRP CC(C)[C@@H](O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000644996387 411386992 /nfs/dbraw/zinc/38/69/92/411386992.db2.gz HHPCVJNZANDDON-AWEZNQCLSA-N 2 0 249.358 1.221 20 0 BDADRP C[C@@H]1CCC[N@H+](Cc2cnn(C)c2)[C@H]1CC[NH3+] ZINC000404398664 411393390 /nfs/dbraw/zinc/39/33/90/411393390.db2.gz PURXOYVYUIZBRI-YPMHNXCESA-N 2 0 236.363 1.369 20 0 BDADRP CC(C)O[C@@H]1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000404503947 411399239 /nfs/dbraw/zinc/39/92/39/411399239.db2.gz FXKSPTMCYPSHLW-ZIAGYGMSSA-N 2 0 240.391 1.875 20 0 BDADRP [NH3+]Cc1cccc(NC(=O)[C@H]2CCC[NH2+]CC2)c1 ZINC000653043425 411401639 /nfs/dbraw/zinc/40/16/39/411401639.db2.gz VWIPNXATAIUGSZ-LBPRGKRZSA-N 2 0 247.342 1.474 20 0 BDADRP CC(C)O[C@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000404625106 411402477 /nfs/dbraw/zinc/40/24/77/411402477.db2.gz CDXAXNSWQYPPMP-OLZOCXBDSA-N 2 0 226.364 1.485 20 0 BDADRP C[NH2+]Cc1ccccc1NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000122746204 411435119 /nfs/dbraw/zinc/43/51/19/411435119.db2.gz XUZOXCXSFXHVLI-LBPRGKRZSA-N 2 0 247.342 1.487 20 0 BDADRP CCO[C@@H]1C[N@@H+]([C@@H](C)CC)C[C@H]1C[NH3+] ZINC000405593247 411435372 /nfs/dbraw/zinc/43/53/72/411435372.db2.gz NHRZSIBUICIUJY-HBNTYKKESA-N 2 0 200.326 1.081 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CCC([NH2+]C(C)C)CC1 ZINC000414705052 411440938 /nfs/dbraw/zinc/44/09/38/411440938.db2.gz ZZRWMRMSCDHWFB-CYBMUJFWSA-N 2 0 241.423 1.822 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000414819047 411446919 /nfs/dbraw/zinc/44/69/19/411446919.db2.gz GLVXJWZLIAJNJY-XJFOESAGSA-N 3 0 239.407 1.352 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414817603 411447203 /nfs/dbraw/zinc/44/72/03/411447203.db2.gz BAIQJMXCRSUWIZ-XQQFMLRXSA-N 2 0 227.396 1.338 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414817600 411447337 /nfs/dbraw/zinc/44/73/37/411447337.db2.gz BAIQJMXCRSUWIZ-AGIUHOORSA-N 2 0 227.396 1.338 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)CO1 ZINC000657359448 411477467 /nfs/dbraw/zinc/47/74/67/411477467.db2.gz UUELGMMXDFEWIF-FRRDWIJNSA-N 2 0 226.364 1.485 20 0 BDADRP CC(C)(O)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657357170 411478831 /nfs/dbraw/zinc/47/88/31/411478831.db2.gz YGHTVERSSHYJKY-UHFFFAOYSA-N 2 0 246.314 1.128 20 0 BDADRP C[NH+](C)[C@H]1CCC[N@@H+]([C@H]2COC(C)(C)C2)CC1 ZINC000660415160 411488673 /nfs/dbraw/zinc/48/86/73/411488673.db2.gz ALDRBSOLWOIQSS-QWHCGFSZSA-N 2 0 240.391 1.970 20 0 BDADRP C[C@@H]([NH2+]CCC[NH3+])[C@@H]1COc2ccccc21 ZINC000415088252 411490722 /nfs/dbraw/zinc/49/07/22/411490722.db2.gz VYJATYOEKRCNIY-PWSUYJOCSA-N 2 0 220.316 1.490 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@@H](CO)C2CC2)CC1 ZINC000309669568 169956338 /nfs/dbraw/zinc/95/63/38/169956338.db2.gz VNKBQZJQFZOMKB-LBPRGKRZSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H](CO)CCC[NH2+]Cc1cnc2n1CCC2 ZINC000657418589 411502452 /nfs/dbraw/zinc/50/24/52/411502452.db2.gz ARSSMHPGLNRJPO-LLVKDONJSA-N 2 0 237.347 1.328 20 0 BDADRP C[NH+](C)C[C@H]1CC[N@H+](CC2CC=CC2)C1 ZINC000659929016 411502472 /nfs/dbraw/zinc/50/24/72/411502472.db2.gz WIPCOOOROTWWLF-CYBMUJFWSA-N 2 0 208.349 1.836 20 0 BDADRP Cc1c[nH]c(C[NH2+]CC2(C)CC[NH+](C)CC2)n1 ZINC000657430855 411508371 /nfs/dbraw/zinc/50/83/71/411508371.db2.gz TZMDSNYVKOMIQT-UHFFFAOYSA-N 2 0 236.363 1.540 20 0 BDADRP OC1CC(CC[NH2+]Cc2cnc3n2CCC3)C1 ZINC000657450806 411511711 /nfs/dbraw/zinc/51/17/11/411511711.db2.gz WHNOZIIEUMLZGJ-UHFFFAOYSA-N 2 0 235.331 1.080 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@@]1(C)CCCO1 ZINC000655803798 411518760 /nfs/dbraw/zinc/51/87/60/411518760.db2.gz DOMGNGAYMYUEBM-YIYPIFLZSA-N 2 0 240.391 1.874 20 0 BDADRP CC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]1CCOC1 ZINC000655805553 411519051 /nfs/dbraw/zinc/51/90/51/411519051.db2.gz PCOMVBGDMLRAAD-IGQOVBAYSA-N 2 0 240.391 1.731 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCOC2(C)C)C1 ZINC000655804421 411519302 /nfs/dbraw/zinc/51/93/02/411519302.db2.gz YKZYIYBZHNTHPA-GRYCIOLGSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC000655804257 411519348 /nfs/dbraw/zinc/51/93/48/411519348.db2.gz REEOSGUHTMXXMH-KCLGILNXSA-N 2 0 240.391 1.872 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1CCCO1 ZINC000655805313 411519495 /nfs/dbraw/zinc/51/94/95/411519495.db2.gz LSWPMRZPZWIPSU-NDBYEHHHSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cn[nH]c1 ZINC000655804081 411519811 /nfs/dbraw/zinc/51/98/11/411519811.db2.gz ODKYOFXFDICVRX-JBLDHEPKSA-N 2 0 222.336 1.401 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCCSC2)C1 ZINC000655805826 411520396 /nfs/dbraw/zinc/52/03/96/411520396.db2.gz SXFWAULUTRMLOQ-SDDRHHMPSA-N 2 0 228.405 1.812 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805671 411520664 /nfs/dbraw/zinc/52/06/64/411520664.db2.gz RDSZXTNGHKIGSS-YFKTTZPYSA-N 2 0 212.337 1.094 20 0 BDADRP COCC[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805741 411520778 /nfs/dbraw/zinc/52/07/78/411520778.db2.gz KSNBJAUVRPLKDM-UTUOFQBUSA-N 2 0 214.353 1.341 20 0 BDADRP CC[C@H]1C[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)CO1 ZINC000657487414 411530972 /nfs/dbraw/zinc/53/09/72/411530972.db2.gz ARCYGIATJDCWPH-OCCSQVGLSA-N 2 0 245.326 1.991 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCSC2)C1 ZINC000250337727 170010381 /nfs/dbraw/zinc/01/03/81/170010381.db2.gz PHZLQACNPGKFEQ-RYUDHWBXSA-N 2 0 228.405 1.813 20 0 BDADRP CC[N@@H+]1CC[C@@H](NCc2c[nH]nc2C)[C@@H](C)C1 ZINC000358168931 170012288 /nfs/dbraw/zinc/01/22/88/170012288.db2.gz OIIOLGDOIKBMCO-GXFFZTMASA-N 2 0 236.363 1.538 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)C1 ZINC000336672811 170016150 /nfs/dbraw/zinc/01/61/50/170016150.db2.gz GOLAWFZXPUPVEV-YVECIDJPSA-N 2 0 210.365 1.962 20 0 BDADRP CC[N@@H+]1CC[C@H](CN[C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000360416465 170016377 /nfs/dbraw/zinc/01/63/77/170016377.db2.gz IFGADPOCTBRJGY-MCIONIFRSA-N 2 0 239.407 1.258 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)OC)C[C@@H]1C ZINC000362183645 170017579 /nfs/dbraw/zinc/01/75/79/170017579.db2.gz PWANSSTZAJVPHL-RYUDHWBXSA-N 2 0 242.363 1.354 20 0 BDADRP CC[N@@H+]1CC[C@H](N(C)CCC[NH3+])C[C@H]1C ZINC000309786297 170018664 /nfs/dbraw/zinc/01/86/64/170018664.db2.gz ODXBFKNCVVQDMC-NEPJUHHUSA-N 2 0 213.369 1.140 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CCCO2)C[C@@H]1C ZINC000336682230 170019925 /nfs/dbraw/zinc/01/99/25/170019925.db2.gz DAQXADRQWFUXPO-MELADBBJSA-N 2 0 240.391 1.970 20 0 BDADRP CC[N@@H+]1CC[C@H](N[C@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000336885761 170022274 /nfs/dbraw/zinc/02/22/74/170022274.db2.gz AWSZURGFQSPAHL-AVGNSLFASA-N 2 0 225.380 1.010 20 0 BDADRP CCN1C[C@@H](C)[C@H]([NH2+]CCCC[NH+](C)C)C1 ZINC000309611723 170031836 /nfs/dbraw/zinc/03/18/36/170031836.db2.gz BOXNRXSZFDPWAI-CHWSQXEVSA-N 2 0 227.396 1.258 20 0 BDADRP CC[NH2+]CC1CC[NH+](Cc2cccnc2)CC1 ZINC000053658984 170111988 /nfs/dbraw/zinc/11/19/88/170111988.db2.gz WBYGVHMLUACYIH-UHFFFAOYSA-N 2 0 233.359 1.903 20 0 BDADRP CC[NH2+]CCNC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000236946196 170114397 /nfs/dbraw/zinc/11/43/97/170114397.db2.gz NYCUCQLCIGSBPK-YPMHNXCESA-N 2 0 249.358 1.048 20 0 BDADRP CC[NH2+]Cc1cccc(NC(=O)[C@H](C)[C@H](C)[NH3+])c1 ZINC000191987280 170128227 /nfs/dbraw/zinc/12/82/27/170128227.db2.gz GPZRXLKQMOOWPX-MNOVXSKESA-N 2 0 249.358 1.718 20 0 BDADRP CO[C@@H](C)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657620908 411566614 /nfs/dbraw/zinc/56/66/14/411566614.db2.gz SIUSUDKEISOSDJ-TUAOUCFPSA-N 2 0 212.337 1.238 20 0 BDADRP C[C@@H]1CN(C)C[C@H]1[NH2+]CCCOC(C)(C)C ZINC000657638073 411567770 /nfs/dbraw/zinc/56/77/70/411567770.db2.gz POCQFCBQBOVRBM-VXGBXAGGSA-N 2 0 228.380 1.731 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+]C1(C2CC2)CC1 ZINC000660253648 411560046 /nfs/dbraw/zinc/56/00/46/411560046.db2.gz KPYQKXLTQARMNH-GFCCVEGCSA-N 2 0 226.364 1.220 20 0 BDADRP CCOC1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000051889584 170331938 /nfs/dbraw/zinc/33/19/38/170331938.db2.gz XXCJVHFWLKRBGL-NSHDSACASA-N 2 0 212.337 1.097 20 0 BDADRP CCOC1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000040690179 170331979 /nfs/dbraw/zinc/33/19/79/170331979.db2.gz OAUJPAYUYPWFMG-UHFFFAOYSA-N 2 0 226.364 1.487 20 0 BDADRP CCOCCC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000121036942 170370192 /nfs/dbraw/zinc/37/01/92/170370192.db2.gz WYMZCKPLFQKSRX-CYBMUJFWSA-N 2 0 228.380 1.687 20 0 BDADRP CCOCCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000308878687 170375091 /nfs/dbraw/zinc/37/50/91/170375091.db2.gz CFXLJPYGXQVCRZ-SRVKXCTJSA-N 2 0 212.337 1.082 20 0 BDADRP CCOCCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000121869959 170375215 /nfs/dbraw/zinc/37/52/15/170375215.db2.gz ORVICWBLGQONKC-AWEZNQCLSA-N 2 0 240.391 1.831 20 0 BDADRP CCOCC[N@H+](CC)CC[C@H]1CCC[NH+]1C ZINC000121116024 170394388 /nfs/dbraw/zinc/39/43/88/170394388.db2.gz RKWQJWBPEFJREY-CYBMUJFWSA-N 2 0 228.380 1.829 20 0 BDADRP CCOC[C@@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000308654776 170433069 /nfs/dbraw/zinc/43/30/69/170433069.db2.gz MWVHSLLLQRZLFJ-GHMZBOCLSA-N 2 0 202.342 1.519 20 0 BDADRP CO[C@@]1(C)C[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657790098 411596628 /nfs/dbraw/zinc/59/66/28/411596628.db2.gz NCXKADLYMLIZFJ-RVMXOQNASA-N 2 0 224.348 1.380 20 0 BDADRP c1ncn2c1C[N@H+](CCCc1ccncc1)CC2 ZINC000660581819 411602798 /nfs/dbraw/zinc/60/27/98/411602798.db2.gz KFNHFUPJMQOLAR-UHFFFAOYSA-N 2 0 242.326 1.727 20 0 BDADRP CCn1nccc1CC[N@@H+]1CCn2cncc2C1 ZINC000660581311 411602925 /nfs/dbraw/zinc/60/29/25/411602925.db2.gz ARWLNEXKFVTXQJ-UHFFFAOYSA-N 2 0 245.330 1.158 20 0 BDADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H]1CCOC1)C2 ZINC000660654865 411613625 /nfs/dbraw/zinc/61/36/25/411613625.db2.gz IQVSKNNCYPUUMY-KBPBESRZSA-N 2 0 238.375 1.441 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCOCCF)CC[N@@H+]1C ZINC000663460673 411662671 /nfs/dbraw/zinc/66/26/71/411662671.db2.gz CMFSLRZFOUERLC-QWRGUYRKSA-N 2 0 218.316 1.045 20 0 BDADRP C[C@H](CC1CCC1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663498367 411680904 /nfs/dbraw/zinc/68/09/04/411680904.db2.gz PGZIXGJBTRWQHE-QFWMXSHPSA-N 2 0 208.349 1.907 20 0 BDADRP c1ccc2c(c1)C[C@H]([NH2+]C[C@@]13C[C@@H]1C[NH2+]C3)CN2 ZINC000663499469 411684159 /nfs/dbraw/zinc/68/41/59/411684159.db2.gz WGXLNDRMOSUXTM-IPYPFGDCSA-N 2 0 243.354 1.222 20 0 BDADRP COC[C@@H](C)C[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000663502394 411685911 /nfs/dbraw/zinc/68/59/11/411685911.db2.gz HURKEYBUGSILET-WDEREUQCSA-N 2 0 202.342 1.232 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+]C[C@H]1CCSC1 ZINC000663503019 411686926 /nfs/dbraw/zinc/68/69/26/411686926.db2.gz LXAFLYCXHWZZAI-GHMZBOCLSA-N 2 0 216.394 1.703 20 0 BDADRP C[NH2+]C[C@H](C)N[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000663514216 411694316 /nfs/dbraw/zinc/69/43/16/411694316.db2.gz PAWGOIUTCXHKPH-RWMBFGLXSA-N 2 0 227.396 1.495 20 0 BDADRP CCn1nccc1C[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000663514243 411695592 /nfs/dbraw/zinc/69/55/92/411695592.db2.gz POGAEZUSRVENGR-NEPJUHHUSA-N 2 0 236.363 1.381 20 0 BDADRP Cn1cncc1CC[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000661173008 411728656 /nfs/dbraw/zinc/72/86/56/411728656.db2.gz VUWLLBGZNIKCEP-CQSZACIVSA-N 2 0 249.358 1.464 20 0 BDADRP C[NH+](C)C[C@H]1CCN(c2[nH+]ccc3[nH]ccc32)C1 ZINC000663788527 411747679 /nfs/dbraw/zinc/74/76/79/411747679.db2.gz SCWMNMQMXIHSSE-LLVKDONJSA-N 2 0 244.342 1.951 20 0 BDADRP C[C@@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)C[C@@H](C)C1O ZINC000661620990 411820448 /nfs/dbraw/zinc/82/04/48/411820448.db2.gz CADKCMKRECINNT-JHJVBQTASA-N 2 0 240.391 1.419 20 0 BDADRP CC[C@@H](C)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662152703 412009706 /nfs/dbraw/zinc/00/97/06/412009706.db2.gz XVSRAHBGBLTJPG-YPMHNXCESA-N 2 0 226.364 1.316 20 0 BDADRP CCC[N@H+](C)CC(C)(C)NC(=O)[C@H](CC)[NH2+]C ZINC000664719680 412013502 /nfs/dbraw/zinc/01/35/02/412013502.db2.gz VUFWNUOCSVCHDV-NSHDSACASA-N 2 0 243.395 1.221 20 0 BDADRP CC(C)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000220027801 412024463 /nfs/dbraw/zinc/02/44/63/412024463.db2.gz PCAHBCAULKRMRF-UHFFFAOYSA-N 2 0 220.320 1.312 20 0 BDADRP C[C@H](CO)[C@@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000662215026 412028354 /nfs/dbraw/zinc/02/83/54/412028354.db2.gz DSAQPNPWDIGGOC-OCCSQVGLSA-N 2 0 240.391 1.469 20 0 BDADRP C[N@H+](C[C@@H]1CC1(C)C)CC1CC[NH2+]CC1 ZINC000662237551 412034928 /nfs/dbraw/zinc/03/49/28/412034928.db2.gz WNFWQVFWGAZDQJ-LBPRGKRZSA-N 2 0 210.365 1.964 20 0 BDADRP C[C@@]1(C(F)F)C[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000662239049 412035491 /nfs/dbraw/zinc/03/54/91/412035491.db2.gz UNEUGXVDSAGFHV-LBPRGKRZSA-N 2 0 248.317 1.342 20 0 BDADRP CO[C@H](C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1)C1CCC1 ZINC000662246374 412042588 /nfs/dbraw/zinc/04/25/88/412042588.db2.gz ROPLTMHPPIZTQZ-IACUBPJLSA-N 2 0 240.391 1.861 20 0 BDADRP CO[C@@H](C[NH+]1CCC([C@H](C)[NH3+])CC1)C1CCC1 ZINC000662246724 412043012 /nfs/dbraw/zinc/04/30/12/412043012.db2.gz QQHPLXJIECOKAL-FZMZJTMJSA-N 2 0 240.391 1.861 20 0 BDADRP CO[C@H](C[NH+]1CCC([C@@H](C)[NH3+])CC1)C1CCC1 ZINC000662246722 412043442 /nfs/dbraw/zinc/04/34/42/412043442.db2.gz QQHPLXJIECOKAL-BXUZGUMPSA-N 2 0 240.391 1.861 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000662247551 412045370 /nfs/dbraw/zinc/04/53/70/412045370.db2.gz XICWIYNTAGLARJ-FVCCEPFGSA-N 2 0 208.349 1.574 20 0 BDADRP C[C@@H]1CCC[C@H](C)[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249935 412046223 /nfs/dbraw/zinc/04/62/23/412046223.db2.gz VSCRIIWQYKSUEZ-FRRDWIJNSA-N 2 0 238.375 1.770 20 0 BDADRP C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249936 412046601 /nfs/dbraw/zinc/04/66/01/412046601.db2.gz VSCRIIWQYKSUEZ-JHJVBQTASA-N 2 0 238.375 1.770 20 0 BDADRP CC(C)[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662251705 412048595 /nfs/dbraw/zinc/04/85/95/412048595.db2.gz IGNHEFBTNHVEDP-LBPRGKRZSA-N 2 0 224.348 1.380 20 0 BDADRP CCC[C@@H](C)[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252098 412049518 /nfs/dbraw/zinc/04/95/18/412049518.db2.gz JTJNUTCGQPFBRA-VXGBXAGGSA-N 2 0 226.364 1.628 20 0 BDADRP CC(C)[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662251703 412049644 /nfs/dbraw/zinc/04/96/44/412049644.db2.gz IGNHEFBTNHVEDP-GFCCVEGCSA-N 2 0 224.348 1.380 20 0 BDADRP C[C@H](O)CC[N@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000662255726 412050799 /nfs/dbraw/zinc/05/07/99/412050799.db2.gz QZDDKVJPNCGIFC-LBPRGKRZSA-N 2 0 248.370 1.535 20 0 BDADRP c1ccc([C@@H]2CCCN2C[C@H]2C[NH2+]CCO2)nc1 ZINC000662259737 412053519 /nfs/dbraw/zinc/05/35/19/412053519.db2.gz AVJNSAPCDJOMFK-OCCSQVGLSA-N 2 0 247.342 1.207 20 0 BDADRP CC(C)[C@@H]1CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662259141 412054229 /nfs/dbraw/zinc/05/42/29/412054229.db2.gz QUCPLVLMFXRJNR-CHWSQXEVSA-N 2 0 238.375 1.485 20 0 BDADRP CC(C)[C@@H]1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662259142 412054989 /nfs/dbraw/zinc/05/49/89/412054989.db2.gz QUCPLVLMFXRJNR-OLZOCXBDSA-N 2 0 238.375 1.485 20 0 BDADRP CC[C@@H]1CC[C@@H]1[NH2+]CCN(CC)CCO ZINC000309168463 171041574 /nfs/dbraw/zinc/04/15/74/171041574.db2.gz KBZOEUGYZKTWCJ-NEPJUHHUSA-N 2 0 214.353 1.079 20 0 BDADRP CC[C@@H]1COCC[N@@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000233940233 171107044 /nfs/dbraw/zinc/10/70/44/171107044.db2.gz JJWPHLROIHTELN-YNEHKIRRSA-N 2 0 226.364 1.485 20 0 BDADRP Cc1nocc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000662274207 412064848 /nfs/dbraw/zinc/06/48/48/412064848.db2.gz SBVFFVZJEVTSNA-TXEJJXNPSA-N 2 0 235.331 1.414 20 0 BDADRP CC[C@@H]1C[C@@H](C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000359463407 171120425 /nfs/dbraw/zinc/12/04/25/171120425.db2.gz ZGVJIBLVZMDXFN-IGQOVBAYSA-N 2 0 238.375 1.343 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC(CC)(CC)C[NH3+] ZINC000353179496 171149212 /nfs/dbraw/zinc/14/92/12/171149212.db2.gz BXKVUEFQBIRPEM-MNOVXSKESA-N 2 0 241.379 1.008 20 0 BDADRP Cc1cc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])ncn1 ZINC000662286621 412077712 /nfs/dbraw/zinc/07/77/12/412077712.db2.gz SFXJATJYABIPKI-FZMZJTMJSA-N 2 0 248.374 1.734 20 0 BDADRP Cc1nc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)co1 ZINC000662283378 412075676 /nfs/dbraw/zinc/07/56/76/412075676.db2.gz NAZWOQHNGVPKQP-LLVKDONJSA-N 2 0 249.358 1.947 20 0 BDADRP CCOCC[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298003 412084738 /nfs/dbraw/zinc/08/47/38/412084738.db2.gz SXWLGFVRXISMQV-CQSZACIVSA-N 2 0 240.391 1.735 20 0 BDADRP c1cc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)on1 ZINC000662290948 412079241 /nfs/dbraw/zinc/07/92/41/412079241.db2.gz ALRLDLRCYXJJCG-ZDUSSCGKSA-N 2 0 249.358 1.886 20 0 BDADRP c1cc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)on1 ZINC000662294021 412081048 /nfs/dbraw/zinc/08/10/48/412081048.db2.gz AECUZBFCDHBZFG-ZDUSSCGKSA-N 2 0 249.358 1.886 20 0 BDADRP CC(C)(O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294078 412081224 /nfs/dbraw/zinc/08/12/24/412081224.db2.gz OVAYWNRZQMWTRG-ZDUSSCGKSA-N 2 0 240.391 1.469 20 0 BDADRP CC[C@H](C)[C@@](C)(O)C[NH2+]C1CC[NH+](CC)CC1 ZINC000360241169 171382923 /nfs/dbraw/zinc/38/29/23/171382923.db2.gz YUEQKBUUZRBUGZ-JSGCOSHPSA-N 2 0 242.407 1.857 20 0 BDADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H](C)C[NH+](CC)CC ZINC000041680204 171395492 /nfs/dbraw/zinc/39/54/92/171395492.db2.gz FYDBLLLSVHWVDL-TUAOUCFPSA-N 2 0 243.395 1.206 20 0 BDADRP Cc1ccc2c(c1)C[N@@H+](C[C@@H]1CC[NH2+]C1)CC2 ZINC000662299068 412086206 /nfs/dbraw/zinc/08/62/06/412086206.db2.gz JSPCUELDINTLIL-CYBMUJFWSA-N 2 0 230.355 1.963 20 0 BDADRP CC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CC[NH2+]C1 ZINC000662319950 412100942 /nfs/dbraw/zinc/10/09/42/412100942.db2.gz RCTLZRKMFCJRDE-HYWTVENDSA-N 2 0 208.349 1.859 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CC2CC1(c1ccccc1)C2 ZINC000662328196 412104978 /nfs/dbraw/zinc/10/49/78/412104978.db2.gz PFJZVBDJRFDOAO-UHFFFAOYSA-N 2 0 246.354 1.583 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1C[C@H](C)n2ncnc21 ZINC000665236056 412177174 /nfs/dbraw/zinc/17/71/74/412177174.db2.gz GJHFSNQFJQHFGD-VWYCJHECSA-N 2 0 237.351 1.391 20 0 BDADRP CC(C)(C)[N@@H+]1CC[C@H](N[C@H]2CCC[C@@H]2[NH3+])C1 ZINC000665236818 412177232 /nfs/dbraw/zinc/17/72/32/412177232.db2.gz VCMIFKSZCQVIIO-SRVKXCTJSA-N 2 0 225.380 1.329 20 0 BDADRP FCCC[C@H]1CCC[C@@H]1[NH2+][C@H]1CC[NH2+]C1 ZINC000665241471 412185192 /nfs/dbraw/zinc/18/51/92/412185192.db2.gz NLKILTPBWONLSC-WOPDTQHZSA-N 2 0 214.328 1.856 20 0 BDADRP CO[C@@H](C)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000665244512 412189092 /nfs/dbraw/zinc/18/90/92/412189092.db2.gz PILAFLIPZYKKBG-DCAQKATOSA-N 2 0 200.326 1.128 20 0 BDADRP CO[C@@H](C)C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000665244795 412189682 /nfs/dbraw/zinc/18/96/82/412189682.db2.gz WUDHIAGOWDTOOS-VHSXEESVSA-N 2 0 237.347 1.534 20 0 BDADRP C[C@@H](NCC1([NH3+])CCCC1)[C@@H]1CCCC[NH2+]1 ZINC000665246573 412191165 /nfs/dbraw/zinc/19/11/65/412191165.db2.gz JBOZLOCRVFUOLP-NEPJUHHUSA-N 2 0 225.380 1.378 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CC2([NH3+])CCCC2)CCO1 ZINC000665248217 412193139 /nfs/dbraw/zinc/19/31/39/412193139.db2.gz RYLCAMMNYMESPW-QWRGUYRKSA-N 2 0 212.337 1.415 20 0 BDADRP CC(C)(F)CC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000665262021 412203706 /nfs/dbraw/zinc/20/37/06/412203706.db2.gz RMODRTXUJFMBFG-VHSXEESVSA-N 2 0 202.317 1.842 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CCC(C)(C)F ZINC000665261950 412204733 /nfs/dbraw/zinc/20/47/33/412204733.db2.gz PGPAKVDIFJAYLB-JTQLQIEISA-N 2 0 220.332 1.468 20 0 BDADRP C[C@@H]([NH2+]CC[C@@]1(C)CC1(F)F)C1C[NH2+]C1 ZINC000665266405 412209395 /nfs/dbraw/zinc/20/93/95/412209395.db2.gz APRFLYKZKWSISD-SCZZXKLOSA-N 2 0 218.291 1.619 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000665273387 412215552 /nfs/dbraw/zinc/21/55/52/412215552.db2.gz VSYMPGQZVBJLIM-RBZYPMLTSA-N 2 0 233.359 1.972 20 0 BDADRP CC[C@@H]([NH2+]C)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000662422105 412162575 /nfs/dbraw/zinc/16/25/75/412162575.db2.gz NCJUIUGYCWSAER-BXKDBHETSA-N 2 0 235.331 1.643 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662427888 412167386 /nfs/dbraw/zinc/16/73/86/412167386.db2.gz DLHKLSJMPAKTKW-GHMZBOCLSA-N 2 0 241.379 1.008 20 0 BDADRP COC1CC(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000665230007 412168666 /nfs/dbraw/zinc/16/86/66/412168666.db2.gz HKUHMYSVWBNLHQ-HPCMXSDISA-N 2 0 238.375 1.674 20 0 BDADRP COC[C@H](CC[NH2+][C@@H]1CCCCC[C@H]1[NH3+])OC ZINC000665235127 412173489 /nfs/dbraw/zinc/17/34/89/412173489.db2.gz QDKWXIAHQIBKOE-YNEHKIRRSA-N 2 0 244.379 1.288 20 0 BDADRP COC[C@H](CC[NH2+][C@H]1CCCCC[C@@H]1[NH3+])OC ZINC000665235124 412174532 /nfs/dbraw/zinc/17/45/32/412174532.db2.gz QDKWXIAHQIBKOE-AVGNSLFASA-N 2 0 244.379 1.288 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1=CCCC1 ZINC000665274877 412216656 /nfs/dbraw/zinc/21/66/56/412216656.db2.gz ZVRJHZYWNRTXNV-WCFLWFBJSA-N 2 0 224.348 1.439 20 0 BDADRP Cc1cncc(CC[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)n1 ZINC000665274484 412217429 /nfs/dbraw/zinc/21/74/29/412217429.db2.gz QYULAMWOQGFMAU-BXUZGUMPSA-N 2 0 248.374 1.305 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000665274142 412217539 /nfs/dbraw/zinc/21/75/39/412217539.db2.gz KPBKTTHBRUULMV-MJBXVCDLSA-N 2 0 239.407 1.720 20 0 BDADRP CCC[N@@H+]1CC[C@@H](N[C@@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000665274611 412217927 /nfs/dbraw/zinc/21/79/27/412217927.db2.gz UKMZCXYTGMCUMS-YNEHKIRRSA-N 2 0 225.380 1.201 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)C1CCOCC1 ZINC000665280501 412218636 /nfs/dbraw/zinc/21/86/36/412218636.db2.gz DROAHIGQHAVFDQ-WCQYABFASA-N 2 0 228.380 1.765 20 0 BDADRP CO[C@H](C[NH2+][C@H](C)C1C[NH2+]C1)C1CCCC1 ZINC000665275526 412219735 /nfs/dbraw/zinc/21/97/35/412219735.db2.gz MJOYAWJSWIAWCJ-ZWNOBZJWSA-N 2 0 226.364 1.389 20 0 BDADRP CC[C@@H]1CCC[C@@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665277941 412221044 /nfs/dbraw/zinc/22/10/44/412221044.db2.gz PYOYDBFKJIWMDY-QBHFIFKDSA-N 2 0 208.349 1.907 20 0 BDADRP CC[C@@H]([NH3+])CNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662565609 412221170 /nfs/dbraw/zinc/22/11/70/412221170.db2.gz DRDWNWMHKJRWAO-DGCLKSJQSA-N 2 0 247.342 1.075 20 0 BDADRP CC[C@H]1CCC[C@@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665277943 412221690 /nfs/dbraw/zinc/22/16/90/412221690.db2.gz PYOYDBFKJIWMDY-ZFQMDJOTSA-N 2 0 208.349 1.907 20 0 BDADRP COCC[C@H]1CCC[C@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665279824 412223101 /nfs/dbraw/zinc/22/31/01/412223101.db2.gz NBDNXCJTUQCTBT-CEUNDQEZSA-N 2 0 238.375 1.533 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000665280778 412225461 /nfs/dbraw/zinc/22/54/61/412225461.db2.gz LCPYQMJHPMWJRU-TZMCWYRMSA-N 3 0 241.423 1.680 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000665282096 412226574 /nfs/dbraw/zinc/22/65/74/412226574.db2.gz QOXFXXIJYPJRBA-TUAOUCFPSA-N 2 0 213.369 1.090 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000665284046 412229607 /nfs/dbraw/zinc/22/96/07/412229607.db2.gz ZKXSHVZAYRERGI-UTUOFQBUSA-N 2 0 213.369 1.077 20 0 BDADRP CN(CC(C)(C)[NH3+])C(=O)c1cccc2c1C[NH2+]C2 ZINC000662601157 412235072 /nfs/dbraw/zinc/23/50/72/412235072.db2.gz FMMHWZQNGCAKBY-UHFFFAOYSA-N 2 0 247.342 1.099 20 0 BDADRP CC[C@H](C)[C@H](C)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665289379 412236503 /nfs/dbraw/zinc/23/65/03/412236503.db2.gz MRDNGXJJGBKAKN-IUCAKERBSA-N 2 0 238.335 1.165 20 0 BDADRP CN(CC(C)(C)[NH3+])C(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000662605733 412237375 /nfs/dbraw/zinc/23/73/75/412237375.db2.gz ROHJYTZQTXHGPX-ZWNOBZJWSA-N 2 0 241.379 1.090 20 0 BDADRP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@H]2CCC23CCC3)n1 ZINC000665293162 412237452 /nfs/dbraw/zinc/23/74/52/412237452.db2.gz UAVGIAFDSNVSGW-JTQLQIEISA-N 2 0 248.330 1.063 20 0 BDADRP CN(CC(C)(C)[NH3+])C(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000662605732 412237628 /nfs/dbraw/zinc/23/76/28/412237628.db2.gz ROHJYTZQTXHGPX-MFKMUULPSA-N 2 0 241.379 1.090 20 0 BDADRP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000665298482 412245748 /nfs/dbraw/zinc/24/57/48/412245748.db2.gz WWAGENOBAOBNPH-AXFHLTTASA-N 2 0 200.326 1.142 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCOCCF ZINC000665299415 412247733 /nfs/dbraw/zinc/24/77/33/412247733.db2.gz MQUGZFPLDCYKMO-WDEREUQCSA-N 2 0 218.316 1.222 20 0 BDADRP FCCOCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000665299981 412248409 /nfs/dbraw/zinc/24/84/09/412248409.db2.gz VWOKHWSEYUXEQJ-YNEHKIRRSA-N 2 0 244.354 1.483 20 0 BDADRP C[NH2+]C[C@@H](C)N[C@H](C)c1ccc(C[NH3+])nc1C ZINC000665299507 412248616 /nfs/dbraw/zinc/24/86/16/412248616.db2.gz OKJTXLNRHCPACW-NXEZZACHSA-N 2 0 236.363 1.107 20 0 BDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CC(C)(C)[NH3+] ZINC000662845500 412319491 /nfs/dbraw/zinc/31/94/91/412319491.db2.gz SXOQHBKYERBFNM-PHIMTYICSA-N 2 0 241.379 1.055 20 0 BDADRP CC[C@H]([NH2+]C)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000662782302 412300521 /nfs/dbraw/zinc/30/05/21/412300521.db2.gz IYQAMSAPHCIHMV-LBPRGKRZSA-N 2 0 235.331 1.343 20 0 BDADRP C[NH+]1CCC(C[NH2+]Cc2ccc(CO)cc2)CC1 ZINC000133060331 412393200 /nfs/dbraw/zinc/39/32/00/412393200.db2.gz QJZSLTDFJNGDNA-UHFFFAOYSA-N 2 0 248.370 1.610 20 0 BDADRP CCn1nc(C)c([C@@H](C)[NH2+]CCCC[NH3+])c1C ZINC000045171486 172249180 /nfs/dbraw/zinc/24/91/80/172249180.db2.gz CDNVWIOWZRMJRY-SNVBAGLBSA-N 2 0 238.379 1.909 20 0 BDADRP CCn1nccc1C[N@H+](C)CC1CC[NH2+]CC1 ZINC000160249394 172263848 /nfs/dbraw/zinc/26/38/48/172263848.db2.gz FPLDTUHYDVPDAW-UHFFFAOYSA-N 2 0 236.363 1.334 20 0 BDADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCOC2(C)C)CC1 ZINC000336907018 172984113 /nfs/dbraw/zinc/98/41/13/172984113.db2.gz YOLAMUDIQMKFEE-CYBMUJFWSA-N 2 0 240.391 1.875 20 0 BDADRP C[NH+]1CCC(C[NH2+]C[C@@H]2CCC=CO2)CC1 ZINC000050269647 172985400 /nfs/dbraw/zinc/98/54/00/172985400.db2.gz CWPJMPRPPUXOKT-ZDUSSCGKSA-N 2 0 224.348 1.611 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@H]2CCCC[C@@H]2O)CC1 ZINC000044518024 172987265 /nfs/dbraw/zinc/98/72/65/172987265.db2.gz AKQHSFKGYFDQFC-STQMWFEESA-N 2 0 226.364 1.221 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1CC[NH+](CCO)CC1CC1 ZINC000352492604 173003946 /nfs/dbraw/zinc/00/39/46/173003946.db2.gz ZZVPDMQRQXCCNK-CQSZACIVSA-N 2 0 240.391 1.565 20 0 BDADRP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCCF)CC2)C1 ZINC000363479592 173021420 /nfs/dbraw/zinc/02/14/20/173021420.db2.gz TUESCLKPARXQSI-CYBMUJFWSA-N 2 0 243.370 1.058 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1C(C)(C)O ZINC000245613609 173028164 /nfs/dbraw/zinc/02/81/64/173028164.db2.gz LZWPCFPQKRSIJL-OLZOCXBDSA-N 2 0 240.391 1.706 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000336709959 173028713 /nfs/dbraw/zinc/02/87/13/173028713.db2.gz YJGLGJXUTCPSKC-UPJWGTAASA-N 2 0 224.348 1.334 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000368463267 173029257 /nfs/dbraw/zinc/02/92/57/173029257.db2.gz UAYBWNTVYIGULL-MGPQQGTHSA-N 2 0 238.375 1.628 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH2+]CCO)[C@H]1c1ccccc1 ZINC000367489443 173041442 /nfs/dbraw/zinc/04/14/42/173041442.db2.gz MHXURDUFSVWEGX-HUUCEWRRSA-N 2 0 248.370 1.651 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](CO)C1 ZINC000305635259 173051239 /nfs/dbraw/zinc/05/12/39/173051239.db2.gz GVXPOWVMAYHYKU-STQMWFEESA-N 2 0 226.364 1.175 20 0 BDADRP C[N@@H+]1CCC[C@]2(CC[NH+](CC3(C)COC3)C2)C1 ZINC000339426157 173062027 /nfs/dbraw/zinc/06/20/27/173062027.db2.gz LDDXZRBWCPTWEH-AWEZNQCLSA-N 2 0 238.375 1.441 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCc3ccncc3)C2)C1 ZINC000292155329 173140231 /nfs/dbraw/zinc/14/02/31/173140231.db2.gz NYBVMDZFFUYKRC-OAHLLOKOSA-N 2 0 245.370 1.652 20 0 BDADRP C[N@@H+]1CC[C@H](C[NH2+]C2Cc3ccccc3C2)C1 ZINC000037646636 173147500 /nfs/dbraw/zinc/14/75/00/173147500.db2.gz FXWHALFHOBFVHJ-GFCCVEGCSA-N 2 0 230.355 1.695 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CCn2ccnc2)[C@@H]2CCC[C@H]21 ZINC000368607980 173152154 /nfs/dbraw/zinc/15/21/54/173152154.db2.gz KCBWPPZTLSNUEG-MELADBBJSA-N 2 0 248.374 1.346 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CCC(C)(C)O)[C@@H]2CCC[C@H]21 ZINC000368610821 173152566 /nfs/dbraw/zinc/15/25/66/173152566.db2.gz BCXLDEHXOPVXJH-RWMBFGLXSA-N 2 0 240.391 1.610 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CCn2ccnc2)[C@@H]2CCC[C@@H]21 ZINC000368607979 173152645 /nfs/dbraw/zinc/15/26/45/173152645.db2.gz KCBWPPZTLSNUEG-IHRRRGAJSA-N 2 0 248.374 1.346 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CCCCCO)[C@H]2CCC[C@H]21 ZINC000353609586 173152716 /nfs/dbraw/zinc/15/27/16/173152716.db2.gz TZCHOLBZTOVEHM-HZSPNIEDSA-N 2 0 240.391 1.611 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCO2)[C@@H]2CCC[C@@H]21 ZINC000353433997 173152869 /nfs/dbraw/zinc/15/28/69/173152869.db2.gz HZNYEXNYTPONCJ-XUXIUFHCSA-N 2 0 238.375 1.628 20 0 BDADRP Cn1cccc1C[NH2+][C@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000368606789 173153516 /nfs/dbraw/zinc/15/35/16/173153516.db2.gz FVVPJHFFGTVOPR-QLFBSQMISA-N 2 0 247.386 1.988 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CCCCO)[C@H]2CCC[C@H]21 ZINC000375849204 173153573 /nfs/dbraw/zinc/15/35/73/173153573.db2.gz GGDLRTYASSENRF-FRRDWIJNSA-N 2 0 226.364 1.221 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+](C[C@@H](O)C(C)(C)C)C2)C1 ZINC000335569839 173167398 /nfs/dbraw/zinc/16/73/98/173167398.db2.gz IOHFXJDGNWSXFE-OCCSQVGLSA-N 2 0 240.391 1.421 20 0 BDADRP C[NH2+]CCC1CC[NH+](Cc2cncn2C)CC1 ZINC000090168744 173342661 /nfs/dbraw/zinc/34/26/61/173342661.db2.gz JGUMERAVTZLTPU-UHFFFAOYSA-N 2 0 236.363 1.242 20 0 BDADRP C[NH2+]CCC1CC[NH+](CCc2cccnc2)CC1 ZINC000070190049 173343315 /nfs/dbraw/zinc/34/33/15/173343315.db2.gz UWFFMIILDZIYMP-UHFFFAOYSA-N 2 0 247.386 1.946 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000336659450 173347362 /nfs/dbraw/zinc/34/73/62/173347362.db2.gz BXLKWVINXOTVKC-VXGBXAGGSA-N 2 0 212.337 1.097 20 0 BDADRP C[NH2+]C[C@H]1CCN(c2cc[nH+]cc2C)C1 ZINC000070047633 173382929 /nfs/dbraw/zinc/38/29/29/173382929.db2.gz ZNSLZQYOWCIMRB-LLVKDONJSA-N 2 0 205.305 1.436 20 0 BDADRP COC1CC([NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC000309661621 174016852 /nfs/dbraw/zinc/01/68/52/174016852.db2.gz RNPLPABPWXFLJL-UHFFFAOYSA-N 2 0 226.364 1.626 20 0 BDADRP COC1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000051918991 174029263 /nfs/dbraw/zinc/02/92/63/174029263.db2.gz RVVCUSJZSGCEKE-GFCCVEGCSA-N 2 0 226.364 1.487 20 0 BDADRP COCC(C)(C)C[NH2+]CCC[NH+]1CCCC1 ZINC000309401742 174071481 /nfs/dbraw/zinc/07/14/81/174071481.db2.gz JDCJYJZJZXFLPF-UHFFFAOYSA-N 2 0 228.380 1.735 20 0 BDADRP COCC1(CC[NH2+][C@H]2CN(C)C[C@H]2C)CCC1 ZINC000339457299 174095912 /nfs/dbraw/zinc/09/59/12/174095912.db2.gz JCOUNGWIJDQYBE-OLZOCXBDSA-N 2 0 240.391 1.733 20 0 BDADRP COCC1(C[NH2+][C@H](C)CCCC[NH3+])CCC1 ZINC000336677745 174105158 /nfs/dbraw/zinc/10/51/58/174105158.db2.gz QIILNWWVEYLZOT-GFCCVEGCSA-N 2 0 228.380 1.910 20 0 BDADRP COCC1CC[NH+](C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000234585493 174120486 /nfs/dbraw/zinc/12/04/86/174120486.db2.gz ALKBVOAXVMKQIM-JSGCOSHPSA-N 2 0 240.391 1.733 20 0 BDADRP COCCCCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357072310 174177768 /nfs/dbraw/zinc/17/77/68/174177768.db2.gz HDKRAXKPXKFDTA-OLZOCXBDSA-N 2 0 226.364 1.344 20 0 BDADRP COCCCCC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000122629438 174183993 /nfs/dbraw/zinc/18/39/93/174183993.db2.gz HTXPEDPJUIYREN-STQMWFEESA-N 2 0 228.380 1.875 20 0 BDADRP COCCCCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000122629235 174184767 /nfs/dbraw/zinc/18/47/67/174184767.db2.gz HTXPEDPJUIYREN-OLZOCXBDSA-N 2 0 228.380 1.875 20 0 BDADRP COCCC[N@@H+]1CC[C@@H]2CCN(C)C[C@H]21 ZINC000361109560 174233797 /nfs/dbraw/zinc/23/37/97/174233797.db2.gz TZBJWMQAPYHAAA-NWDGAFQWSA-N 2 0 212.337 1.049 20 0 BDADRP COCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000036908255 174250632 /nfs/dbraw/zinc/25/06/32/174250632.db2.gz RUCONMVFPSLODG-IJLUTSLNSA-N 2 0 214.353 1.341 20 0 BDADRP COCC[N@H+](C)CCCNc1cc(C)cc[nH+]1 ZINC000189429543 174276248 /nfs/dbraw/zinc/27/62/48/174276248.db2.gz UWVATCWZBMAODR-UHFFFAOYSA-N 2 0 237.347 1.770 20 0 BDADRP COCC[N@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000123095411 174282513 /nfs/dbraw/zinc/28/25/13/174282513.db2.gz UFQWBGWFGHEPGW-GHMZBOCLSA-N 2 0 200.326 1.047 20 0 BDADRP COCC[C@@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000308635898 174385078 /nfs/dbraw/zinc/38/50/78/174385078.db2.gz AWUSJGDIAQSSRQ-GHMZBOCLSA-N 2 0 202.342 1.519 20 0 BDADRP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCN1C ZINC000337516177 174397488 /nfs/dbraw/zinc/39/74/88/174397488.db2.gz LZQZTLQHENGRMN-BFHYXJOUSA-N 2 0 240.391 1.875 20 0 BDADRP COCC[C@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000308635899 174408152 /nfs/dbraw/zinc/40/81/52/174408152.db2.gz AWUSJGDIAQSSRQ-MNOVXSKESA-N 2 0 202.342 1.519 20 0 BDADRP COc1ccc(OC)c([C@@H](C)[NH2+]CCC[NH3+])c1 ZINC000037713254 175166721 /nfs/dbraw/zinc/16/67/21/175166721.db2.gz SWERUFZINXRWFQ-SNVBAGLBSA-N 2 0 238.331 1.703 20 0 BDADRP COc1cccc(C[N@H+](C)C2CC[NH2+]CC2)c1 ZINC000036301392 175253706 /nfs/dbraw/zinc/25/37/06/175253706.db2.gz GQKHNRQGJPWWFQ-UHFFFAOYSA-N 2 0 234.343 1.879 20 0 BDADRP COc1ccccc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000011891306 175327191 /nfs/dbraw/zinc/32/71/91/175327191.db2.gz WGNHHGPTAAQICU-NSHDSACASA-N 2 0 220.316 1.476 20 0 BDADRP Cc1cccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])n1 ZINC000564823790 322931514 /nfs/dbraw/zinc/93/15/14/322931514.db2.gz COPRTXCZHWMSTJ-GXSJLCMTSA-N 2 0 207.321 1.605 20 0 BDADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000336718140 175873223 /nfs/dbraw/zinc/87/32/23/175873223.db2.gz QWEXBSGGMWSXFM-TZMCWYRMSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCOC1)C1CC[NH+](C)CC1 ZINC000037738545 175889370 /nfs/dbraw/zinc/88/93/70/175889370.db2.gz GZRSINVWFQUXSF-NEPJUHHUSA-N 2 0 226.364 1.343 20 0 BDADRP C[C@@H](c1ccncc1)[NH+]1CCC(C[NH3+])CC1 ZINC000044511631 176036103 /nfs/dbraw/zinc/03/61/03/176036103.db2.gz BAUXKNZIPVQQKR-NSHDSACASA-N 2 0 219.332 1.813 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@H]2CCC[NH+]2C)C[C@H]1O ZINC000305759221 176170664 /nfs/dbraw/zinc/17/06/64/176170664.db2.gz HXJOSSJQEBXCHT-JHJVBQTASA-N 2 0 226.364 1.173 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CCOCC[NH+](C)C)[C@H](C)C1 ZINC000300424990 176213438 /nfs/dbraw/zinc/21/34/38/176213438.db2.gz OOEVUCUEQCJXDK-MGPQQGTHSA-N 2 0 242.407 1.979 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(C(F)F)CC1 ZINC000309750362 176269549 /nfs/dbraw/zinc/26/95/49/176269549.db2.gz GODXGLXDGAZTDP-NXEZZACHSA-N 2 0 232.318 1.962 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC(C)(C)CCCO ZINC000357839229 176269926 /nfs/dbraw/zinc/26/99/26/176269926.db2.gz HUKKCHGERCXPMP-CHWSQXEVSA-N 2 0 242.407 1.715 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC[C@H]1CCOC1 ZINC000336781326 176271530 /nfs/dbraw/zinc/27/15/30/176271530.db2.gz UJKXKOLGFDOWOF-FRRDWIJNSA-N 2 0 226.364 1.343 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCN1CCC1 ZINC000336783270 176279239 /nfs/dbraw/zinc/27/92/39/176279239.db2.gz ZYHNOMRDLOTUFT-JHJVBQTASA-N 2 0 225.380 1.010 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000367712371 176280106 /nfs/dbraw/zinc/28/01/06/176280106.db2.gz JKDKGLTVUUNYKY-UCKQBZRPSA-N 2 0 238.375 1.197 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@](C)(O)C1CC1 ZINC000336701909 176280342 /nfs/dbraw/zinc/28/03/42/176280342.db2.gz JZKNVSOCQZQXLF-HBJVGIJOSA-N 2 0 240.391 1.466 20 0 BDADRP C[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)CCCO1 ZINC000061919024 176287685 /nfs/dbraw/zinc/28/76/85/176287685.db2.gz REPRWEKBLNQSPZ-GFCCVEGCSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000251661605 176294038 /nfs/dbraw/zinc/29/40/38/176294038.db2.gz GWYJDDLMWLDDIN-VXGBXAGGSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)C[C@@H]1CO ZINC000362069876 176294594 /nfs/dbraw/zinc/29/45/94/176294594.db2.gz FXHFKHAZYMAUKK-MGPQQGTHSA-N 2 0 240.391 1.421 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCSC2)C[C@@H]1[NH3+] ZINC000224624184 176296894 /nfs/dbraw/zinc/29/68/94/176296894.db2.gz MQXPNUCEMJRQNO-UTLUCORTSA-N 2 0 200.351 1.019 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccc3c(c2)CCO3)CC[C@H]1[NH3+] ZINC000251619761 176304726 /nfs/dbraw/zinc/30/47/26/176304726.db2.gz DWOCUSGNTOAVIR-BXUZGUMPSA-N 2 0 246.354 1.791 20 0 BDADRP C[C@@H]1COCC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000336453311 176333399 /nfs/dbraw/zinc/33/33/99/176333399.db2.gz JMMOBBXRSYFFOS-QWHCGFSZSA-N 2 0 226.364 1.439 20 0 BDADRP C[C@@H]1CSC[C@H]1[NH2+]CCC[NH+](C)C ZINC000336643655 176354947 /nfs/dbraw/zinc/35/49/47/176354947.db2.gz JWVJLLLTJUTUSF-NXEZZACHSA-N 2 0 202.367 1.279 20 0 BDADRP C[C@H](O)[C@H]1CCCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000336679958 177013784 /nfs/dbraw/zinc/01/37/84/177013784.db2.gz CHYPEJYCABLDJB-MELADBBJSA-N 2 0 240.391 1.706 20 0 BDADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCOC1 ZINC000070963732 177075287 /nfs/dbraw/zinc/07/52/87/177075287.db2.gz ZWLAAUDIYCDONZ-QWHCGFSZSA-N 2 0 226.364 1.629 20 0 BDADRP C[C@H]1CCCC[C@H]1[N@H+](C)CCN1CC[NH2+]CC1 ZINC000042610970 177087118 /nfs/dbraw/zinc/08/71/18/177087118.db2.gz POBIOXPYGQSZDP-UONOGXRCSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCN1CC[NH2+]CC1 ZINC000037482553 177117397 /nfs/dbraw/zinc/11/73/97/177117397.db2.gz VNNOEILARNRWPI-BETUJISGSA-N 2 0 225.380 1.155 20 0 BDADRP C[C@H]1CC[C@H](C[NH2+]C2CCC([NH3+])CC2)O1 ZINC000148675826 177202668 /nfs/dbraw/zinc/20/26/68/177202668.db2.gz STTZQZWGJFOWOJ-WNYYMSAVSA-N 2 0 212.337 1.413 20 0 BDADRP C[C@H]1C[N@H+](CCC2CC[NH2+]CC2)C[C@@H]1N(C)C ZINC000124275683 177246370 /nfs/dbraw/zinc/24/63/70/177246370.db2.gz NVEKYAWKJLHEMG-JSGCOSHPSA-N 2 0 239.407 1.258 20 0 BDADRP C[C@@H]1C[N@@H+](CCCCCC[NH3+])C[C@H](C)O1 ZINC000020071750 177247627 /nfs/dbraw/zinc/24/76/27/177247627.db2.gz IVZFQBOMOAPJIM-TXEJJXNPSA-N 2 0 214.353 1.615 20 0 BDADRP C[C@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)CCS1 ZINC000123479242 177258604 /nfs/dbraw/zinc/25/86/04/177258604.db2.gz MZPWLMOHSKYRQO-WDEREUQCSA-N 2 0 214.378 1.423 20 0 BDADRP C[C@H]1C[C@@H](C[NH+]2CCSCC2)CC[NH2+]1 ZINC000235699505 177325010 /nfs/dbraw/zinc/32/50/10/177325010.db2.gz CGHUVRARBRLIRI-QWRGUYRKSA-N 2 0 214.378 1.423 20 0 BDADRP C[C@H]1C[C@@H](N(C)Cc2ccncc2)CC[N@@H+]1C ZINC000177059570 177326639 /nfs/dbraw/zinc/32/66/39/177326639.db2.gz BDUPTCVCHYHBDH-JSGCOSHPSA-N 2 0 233.359 1.996 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CCC(O)CC1 ZINC000036907812 177331154 /nfs/dbraw/zinc/33/11/54/177331154.db2.gz UWRPUIFLBSUQPP-XPXVYLNCSA-N 2 0 240.391 1.608 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CC2=CCCOC2)CC[N@@H+]1C ZINC000309660043 177331545 /nfs/dbraw/zinc/33/15/45/177331545.db2.gz ASCXPOCDAAOIFU-AAEUAGOBSA-N 2 0 224.348 1.405 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000336781093 177334399 /nfs/dbraw/zinc/33/43/99/177334399.db2.gz TXZZPWSEVLZXQR-VOAKCMCISA-N 2 0 225.380 1.009 20 0 BDADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccncc1 ZINC000126713700 177361125 /nfs/dbraw/zinc/36/11/25/177361125.db2.gz AWEFBCCWZRHCNQ-CMPLNLGQSA-N 2 0 205.305 1.251 20 0 BDADRP C[C@H]1C[C@H](NCCC[NH+]2CCCC2)c2nccn21 ZINC000345356747 177369083 /nfs/dbraw/zinc/36/90/83/177369083.db2.gz OSQHTQCSZDGPGG-STQMWFEESA-N 2 0 248.374 1.964 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC(C)(C)O ZINC000083461205 177369490 /nfs/dbraw/zinc/36/94/90/177369490.db2.gz BJXZTTMCGWJRHH-VWYCJHECSA-N 2 0 214.353 1.076 20 0 BDADRP C[C@H]1C[C@H](NCCC[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000309960589 177369550 /nfs/dbraw/zinc/36/95/50/177369550.db2.gz YEJDTUDZWWPDOO-ZFWWWQNUSA-N 2 0 247.386 1.588 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000082474959 487639197 /nfs/dbraw/zinc/63/91/97/487639197.db2.gz MEPYTLAKOFRHQH-DGCLKSJQSA-N 2 0 226.364 1.615 20 0 BDADRP C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCC[NH2+]1 ZINC000400362184 226341851 /nfs/dbraw/zinc/34/18/51/226341851.db2.gz CKWBIUWQIOMPDW-RFQIPJPRSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000400507462 226345229 /nfs/dbraw/zinc/34/52/29/226345229.db2.gz KKJDASUSAHUVBU-WRWGMCAJSA-N 2 0 212.337 1.284 20 0 BDADRP C[C@H](C[NH+]1CCCCC1)N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400736120 226350896 /nfs/dbraw/zinc/35/08/96/226350896.db2.gz RSVWBQZQMZQGIB-RDBSUJKOSA-N 2 0 239.407 1.591 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCC[C@@H]1CCOC1 ZINC000401949919 226363751 /nfs/dbraw/zinc/36/37/51/226363751.db2.gz YWAVXOOYEDKBQV-HZSPNIEDSA-N 2 0 240.391 1.910 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cccc(O)c2)C1 ZINC000335588920 487653118 /nfs/dbraw/zinc/65/31/18/487653118.db2.gz AFQXEGQMDSYAEI-VXGBXAGGSA-N 2 0 220.316 1.752 20 0 BDADRP CCCCOCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000226032719 487653747 /nfs/dbraw/zinc/65/37/47/487653747.db2.gz UKGVPPQRLZFALZ-QWHCGFSZSA-N 2 0 228.380 1.862 20 0 BDADRP CCOCC[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397307857 262744177 /nfs/dbraw/zinc/74/41/77/262744177.db2.gz HTLFHJKDZMOTFV-WOPDTQHZSA-N 2 0 214.353 1.328 20 0 BDADRP CC[NH+](CC)CCCN[C@H]1C[NH2+]C[C@H](C)C1 ZINC000401706983 487682549 /nfs/dbraw/zinc/68/25/49/487682549.db2.gz FJSPHDCGSTWPIY-CHWSQXEVSA-N 2 0 227.396 1.306 20 0 BDADRP C[C@@H](NC[C@@H]([NH3+])CCC(C)(C)C)[C@H](C)[NH3+] ZINC000904354142 584870388 /nfs/dbraw/zinc/87/03/88/584870388.db2.gz BEBPCMMCJQNEBC-AXFHLTTASA-N 2 0 215.385 1.465 20 0 BDADRP Cc1ccc2c(c1)C[N@@H+](CCC[NH3+])CC2 ZINC000082790870 487734269 /nfs/dbraw/zinc/73/42/69/487734269.db2.gz JPIZRVFDFDXWMH-UHFFFAOYSA-N 2 0 204.317 1.702 20 0 BDADRP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)C1CC1 ZINC000675510001 487743482 /nfs/dbraw/zinc/74/34/82/487743482.db2.gz LGVWLPJDEHBXCC-ZIAGYGMSSA-N 2 0 240.391 1.564 20 0 BDADRP COCC[C@H](C)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000666193980 487754156 /nfs/dbraw/zinc/75/41/56/487754156.db2.gz UEENTSSQYAYZBS-QWHCGFSZSA-N 2 0 242.407 1.979 20 0 BDADRP CC[C@H]1C[C@H]([NH2+]CCOCC[NH+](C)C)CCO1 ZINC000234053318 487758945 /nfs/dbraw/zinc/75/89/45/487758945.db2.gz QUUVMAAYDLIMHN-OLZOCXBDSA-N 2 0 244.379 1.112 20 0 BDADRP CC[C@](C)(C[NH2+]CCC[NH+]1CCCC1)OC ZINC000234097621 487760998 /nfs/dbraw/zinc/76/09/98/487760998.db2.gz XHVYJCUEJOGBHK-CYBMUJFWSA-N 2 0 228.380 1.877 20 0 BDADRP CC[N@@H+]1CC[C@@H](N(C)CCF)C[C@H]1C ZINC000759342290 585368900 /nfs/dbraw/zinc/36/89/00/585368900.db2.gz GUVJSPAATOGQIX-GHMZBOCLSA-N 2 0 202.317 1.761 20 0 BDADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2CCCOC2)C1 ZINC000459742404 487793063 /nfs/dbraw/zinc/79/30/63/487793063.db2.gz WDJVTHZIOPJMHZ-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP CC(C)(C)c1ccncc1C[NH2+]CCC[NH3+] ZINC000415124101 487810333 /nfs/dbraw/zinc/81/03/33/487810333.db2.gz NTYNLKVUHKNWNM-UHFFFAOYSA-N 2 0 221.348 1.818 20 0 BDADRP C[C@@H]1CC[N@H+](CCC[NH3+])C[C@@H]1n1ccnc1 ZINC000414709014 487818838 /nfs/dbraw/zinc/81/88/38/487818838.db2.gz OKPLVPBWFGQAKQ-NEPJUHHUSA-N 2 0 222.336 1.115 20 0 BDADRP [NH3+]CCC[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000414711133 487819240 /nfs/dbraw/zinc/81/92/40/487819240.db2.gz MAPFHOGOAIQGNC-ZDUSSCGKSA-N 2 0 234.343 1.736 20 0 BDADRP [NH3+]CCC[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000414731838 487819986 /nfs/dbraw/zinc/81/99/86/487819986.db2.gz BCABIIKEPIVRGQ-QMMMGPOBSA-N 2 0 210.243 1.610 20 0 BDADRP COCC[N@H+](CCC[NH3+])[C@H]1CC[C@@H](C)C1 ZINC000414752508 487821101 /nfs/dbraw/zinc/82/11/01/487821101.db2.gz KXMDRLQLZPTDEV-NEPJUHHUSA-N 2 0 214.353 1.472 20 0 BDADRP C[NH2+]Cc1ccccc1NC(=O)C[NH2+]C1CC1 ZINC000153908404 487828346 /nfs/dbraw/zinc/82/83/46/487828346.db2.gz XEOJLQLJIDOQBW-UHFFFAOYSA-N 2 0 233.315 1.097 20 0 BDADRP CC(C)n1nccc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414910560 487828465 /nfs/dbraw/zinc/82/84/65/487828465.db2.gz DDAUKRAPCFYQBP-VXGBXAGGSA-N 2 0 236.363 1.824 20 0 BDADRP CCc1nn(C)cc1CN1CC[C@@H]([NH3+])C[C@H]1C ZINC000252776618 487832596 /nfs/dbraw/zinc/83/25/96/487832596.db2.gz OIHZNXRVTPBZEE-ZYHUDNBSSA-N 2 0 236.363 1.294 20 0 BDADRP CC1(C)C[C@@H]([NH2+]CCC[NH3+])c2cc(N)ccc2O1 ZINC000415038534 487834372 /nfs/dbraw/zinc/83/43/72/487834372.db2.gz POSBBYQHJAJLIE-GFCCVEGCSA-N 2 0 249.358 1.809 20 0 BDADRP [NH3+]CCC[NH2+]CCc1cc2ccccc2o1 ZINC000415091221 487837281 /nfs/dbraw/zinc/83/72/81/487837281.db2.gz PZEMOXKIHGHLQO-UHFFFAOYSA-N 2 0 218.300 1.914 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCOC(F)F)C1 ZINC000852741586 588698377 /nfs/dbraw/zinc/69/83/77/588698377.db2.gz WDYDVPWJNBUOQD-IUCAKERBSA-N 2 0 222.279 1.285 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCOCc2ccccc2)C1 ZINC000309912010 487847447 /nfs/dbraw/zinc/84/74/47/487847447.db2.gz SEDOYZFCQPYMML-UKRRQHHQSA-N 2 0 248.370 1.872 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000564456834 322957023 /nfs/dbraw/zinc/95/70/23/322957023.db2.gz ZSGTVUCMWVWNBK-ZJUUUORDSA-N 2 0 247.342 1.145 20 0 BDADRP CC(C)([NH3+])C[NH2+]C[C@H]1CCOc2ccccc21 ZINC000666751859 487871680 /nfs/dbraw/zinc/87/16/80/487871680.db2.gz IYOIYHJCARVHFH-LLVKDONJSA-N 2 0 234.343 1.880 20 0 BDADRP CC(C)(C)[NH2+]CCNC[C@H]1CCCC[NH2+]1 ZINC000666770492 487876723 /nfs/dbraw/zinc/87/67/23/487876723.db2.gz DGVQYRPFSUWSOT-LLVKDONJSA-N 2 0 213.369 1.106 20 0 BDADRP CC(C)C[C@@H]([NH3+])CNC[C@H]1CCCC[NH2+]1 ZINC000666770478 487877774 /nfs/dbraw/zinc/87/77/74/487877774.db2.gz CLPLHKDYXIBDJC-VXGBXAGGSA-N 2 0 213.369 1.092 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](C)C1CC1 ZINC000234787687 487877963 /nfs/dbraw/zinc/87/79/63/487877963.db2.gz VJTNNMVRYVOMBY-PWSUYJOCSA-N 2 0 214.353 1.376 20 0 BDADRP COc1cccc(C[NH2+]C[C@@H](C)C[NH3+])c1F ZINC000666826683 487886995 /nfs/dbraw/zinc/88/69/95/487886995.db2.gz NLTYDPGUCMPVBK-VIFPVBQESA-N 2 0 226.295 1.519 20 0 BDADRP CC(C)n1cc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cn1 ZINC000666951993 487890203 /nfs/dbraw/zinc/89/02/03/487890203.db2.gz BFCSWFZDJVCGHP-ZDUSSCGKSA-N 2 0 248.374 1.696 20 0 BDADRP CC[C@H]1C[N@H+](CC2CC[NH2+]CC2)[C@@H](CC)CO1 ZINC000403806394 487891583 /nfs/dbraw/zinc/89/15/83/487891583.db2.gz LPHYOLWQBDUJBV-KBPBESRZSA-N 2 0 240.391 1.875 20 0 BDADRP COC[C@@H](CC(C)C)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666857866 487891748 /nfs/dbraw/zinc/89/17/48/487891748.db2.gz NFVFPDYZGKXZTR-CHWSQXEVSA-N 2 0 228.380 1.779 20 0 BDADRP COC[C@@H](CC(C)C)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666857868 487891968 /nfs/dbraw/zinc/89/19/68/487891968.db2.gz NFVFPDYZGKXZTR-QWHCGFSZSA-N 2 0 228.380 1.779 20 0 BDADRP CC[C@H]1C[N@H+](CCCCOC)CC[C@@H]1[NH3+] ZINC000164774529 487894868 /nfs/dbraw/zinc/89/48/68/487894868.db2.gz VWBGBWSKSPZLEW-RYUDHWBXSA-N 2 0 214.353 1.472 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666993844 487902036 /nfs/dbraw/zinc/90/20/36/487902036.db2.gz NXTKYPWVADBOKJ-UTUOFQBUSA-N 2 0 208.349 1.907 20 0 BDADRP COCC(C)(C)C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666955421 487917322 /nfs/dbraw/zinc/91/73/22/487917322.db2.gz JBJLINVOCMADRG-LLVKDONJSA-N 2 0 226.364 1.391 20 0 BDADRP C[C@@H]1CCC[N@H+](CC[C@H]2CCOC2)[C@@H]1CC[NH3+] ZINC000404296084 487917352 /nfs/dbraw/zinc/91/73/52/487917352.db2.gz DAKVIQLEJWDDIF-HZSPNIEDSA-N 2 0 240.391 1.862 20 0 BDADRP C[C@@H]([NH3+])C[N@@H+]1CCc2ccccc2[C@@H](C)C1 ZINC000404977941 487938874 /nfs/dbraw/zinc/93/88/74/487938874.db2.gz BSLRZFBBDWKIFJ-NWDGAFQWSA-N 2 0 218.344 1.995 20 0 BDADRP Cc1[nH]nc2ncc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc12 ZINC000566230125 322976576 /nfs/dbraw/zinc/97/65/76/322976576.db2.gz JPEPAMMZICUYIB-IUCAKERBSA-N 2 0 247.346 1.482 20 0 BDADRP Cc1cccc2ncc(C[NH2+][C@H](C)C[C@H](C)[NH3+])n21 ZINC000564973709 322985382 /nfs/dbraw/zinc/98/53/82/322985382.db2.gz ONYVUQUHERTBJJ-WDEREUQCSA-N 2 0 246.358 1.858 20 0 BDADRP CO[C@@H](C)CC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000561721385 323005898 /nfs/dbraw/zinc/00/58/98/323005898.db2.gz CEXJVZFYOPRUFR-LBPRGKRZSA-N 2 0 240.391 1.875 20 0 BDADRP COCC[NH2+]C1CC[NH+](C[C@@H]2C[C@H]2C)CC1 ZINC000565060445 323009411 /nfs/dbraw/zinc/00/94/11/323009411.db2.gz JHQKIPMFVMBBNH-NEPJUHHUSA-N 2 0 226.364 1.343 20 0 BDADRP CCCn1cc(CN(C)CCC[NH+](C)C)cn1 ZINC000561972033 323009633 /nfs/dbraw/zinc/00/96/33/323009633.db2.gz YQXHHSNMVWDGAL-UHFFFAOYSA-N 2 0 238.379 1.677 20 0 BDADRP CC[C@@H]([NH3+])C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000130525801 323011379 /nfs/dbraw/zinc/01/13/79/323011379.db2.gz GLCSOLLWJFDPDN-MNOVXSKESA-N 2 0 243.395 1.206 20 0 BDADRP COCC1([NH2+]CC2CC[NH2+]CC2)CCCC1 ZINC000570106429 323050034 /nfs/dbraw/zinc/05/00/34/323050034.db2.gz LATFLOMMVBVANC-UHFFFAOYSA-N 2 0 226.364 1.535 20 0 BDADRP C[NH2+]CCSCC[C@H]1CCC[N@@H+]1C ZINC000570276958 323054679 /nfs/dbraw/zinc/05/46/79/323054679.db2.gz QWEFLFZAPHFWIW-SNVBAGLBSA-N 2 0 202.367 1.423 20 0 BDADRP CO[C@@H]1C[C@@H]([NH2+]CC2CC[NH2+]CC2)C12CCC2 ZINC000570507859 323061706 /nfs/dbraw/zinc/06/17/06/323061706.db2.gz HYUQELPMLQEWGN-CHWSQXEVSA-N 2 0 238.375 1.533 20 0 BDADRP CC[C@H]([NH2+]CCC[NH2+]C(C)C)[C@H]1CCOC1 ZINC000570562027 323063151 /nfs/dbraw/zinc/06/31/51/323063151.db2.gz HDLXEQIRPWFMDR-STQMWFEESA-N 2 0 228.380 1.779 20 0 BDADRP CC(C)n1nccc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000570719701 323068549 /nfs/dbraw/zinc/06/85/49/323068549.db2.gz SGOLFPMBHIONGS-QWRGUYRKSA-N 2 0 224.352 1.679 20 0 BDADRP [NH3+]C1(c2noc([C@H]3CC34C[NH2+]C4)n2)CCCCC1 ZINC000562969337 323076140 /nfs/dbraw/zinc/07/61/40/323076140.db2.gz DKNJVXKETILRMS-SECBINFHSA-N 2 0 248.330 1.265 20 0 BDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)CCC[NH3+])cc1 ZINC000563101690 323092433 /nfs/dbraw/zinc/09/24/33/323092433.db2.gz GJMJATDWVZPEKC-SNVBAGLBSA-N 2 0 235.331 1.061 20 0 BDADRP CN(CCC[NH3+])Cc1c[nH]nc1C(C)(C)C ZINC000563130135 323094320 /nfs/dbraw/zinc/09/43/20/323094320.db2.gz SPQQAPZTIZIBOV-UHFFFAOYSA-N 2 0 224.352 1.488 20 0 BDADRP C[N@H+](CCC[NH3+])Cc1c[nH]nc1-c1ccccc1 ZINC000563130283 323094371 /nfs/dbraw/zinc/09/43/71/323094371.db2.gz VCYQRVFGQXJSNT-UHFFFAOYSA-N 2 0 244.342 1.857 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+]CC2(F)CC2)cc1 ZINC000563136362 323094948 /nfs/dbraw/zinc/09/49/48/323094948.db2.gz ZMKSSIGLOYCUMM-UHFFFAOYSA-N 2 0 208.280 1.737 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000567896416 323098016 /nfs/dbraw/zinc/09/80/16/323098016.db2.gz JVQOICJXHKWJBL-YNEHKIRRSA-N 3 0 225.380 1.045 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)[C@@H](C)O1 ZINC000563423635 323124191 /nfs/dbraw/zinc/12/41/91/323124191.db2.gz HRXLUPGPCDOHRH-SYLRKERUSA-N 2 0 226.364 1.659 20 0 BDADRP CC[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)[NH+]1CCCC1 ZINC000563423102 323124224 /nfs/dbraw/zinc/12/42/24/323124224.db2.gz DCLKLLXTQCHUDQ-BFHYXJOUSA-N 2 0 239.407 1.720 20 0 BDADRP COC[C@H](C)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000249499551 323139202 /nfs/dbraw/zinc/13/92/02/323139202.db2.gz HIODOOAIRIBOFF-HZSPNIEDSA-N 2 0 240.391 1.685 20 0 BDADRP O[C@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)C[NH+]1CCCC1 ZINC000571346390 323142262 /nfs/dbraw/zinc/14/22/62/323142262.db2.gz JKYXLPVKSKUELS-DGAVXFQQSA-N 2 0 238.375 1.221 20 0 BDADRP CC[NH2+]CCC[NH2+][C@@H](Cn1cccn1)C(C)C ZINC000571394711 323143279 /nfs/dbraw/zinc/14/32/79/323143279.db2.gz FDIUDNZICZAEKH-ZDUSSCGKSA-N 2 0 238.379 1.497 20 0 BDADRP CCNC(=O)C(C)(C)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000571417977 323144507 /nfs/dbraw/zinc/14/45/07/323144507.db2.gz QFJBDVOSNPIHJK-WDEREUQCSA-N 2 0 241.379 1.008 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3c[nH]nc3C2)C1 ZINC000571582002 323148586 /nfs/dbraw/zinc/14/85/86/323148586.db2.gz WRGTWFGPFRXIJT-UTUOFQBUSA-N 2 0 234.347 1.127 20 0 BDADRP COC(=O)CCC[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397263377 323152491 /nfs/dbraw/zinc/15/24/91/323152491.db2.gz IECPHKZERVVSHC-UTUOFQBUSA-N 2 0 242.363 1.245 20 0 BDADRP CC[C@@H](O)C[N@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000229854731 323153006 /nfs/dbraw/zinc/15/30/06/323153006.db2.gz VXDYQOGBMBFZCG-QJPTWQEYSA-N 2 0 214.353 1.172 20 0 BDADRP CCC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000070266498 323184487 /nfs/dbraw/zinc/18/44/87/323184487.db2.gz AJIZELBSXTUTJM-UHFFFAOYSA-N 2 0 243.395 1.128 20 0 BDADRP COCCCCC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000395097695 323186988 /nfs/dbraw/zinc/18/69/88/323186988.db2.gz DEVKSNYPDQHABM-STQMWFEESA-N 2 0 228.380 1.923 20 0 BDADRP CC(C)[C@@H](C(=O)N[C@H](C)CC[NH+](C)C)[C@@H](C)[NH3+] ZINC000399419826 323205957 /nfs/dbraw/zinc/20/59/57/323205957.db2.gz FBXOHHAEMRCMTF-IJLUTSLNSA-N 2 0 243.395 1.062 20 0 BDADRP CC(C)[C@H](C(=O)N[C@H](C)CC[NH+](C)C)[C@@H](C)[NH3+] ZINC000399419829 323206040 /nfs/dbraw/zinc/20/60/40/323206040.db2.gz FBXOHHAEMRCMTF-UTUOFQBUSA-N 2 0 243.395 1.062 20 0 BDADRP COCCC1CC[NH+]([C@@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000530209403 323209503 /nfs/dbraw/zinc/20/95/03/323209503.db2.gz HENUZDRJAUKZOO-JSGCOSHPSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CCCOC1)[C@H]1CCC[NH2+]1 ZINC000530214247 323216387 /nfs/dbraw/zinc/21/63/87/323216387.db2.gz VZTFQYPCAKDARV-RWMBFGLXSA-N 2 0 226.364 1.533 20 0 BDADRP Cc1ncccc1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000530223359 323218430 /nfs/dbraw/zinc/21/84/30/323218430.db2.gz UKDIJLWGXDIQOE-UHFFFAOYSA-N 2 0 233.359 1.997 20 0 BDADRP C[C@H]([NH2+]CC1(C)COC1)[C@H]1CCCC[NH2+]1 ZINC000395239142 323222645 /nfs/dbraw/zinc/22/26/45/323222645.db2.gz QCJCGVABAUUNQB-WDEREUQCSA-N 2 0 212.337 1.143 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]CCC2(CO)CC2)c2ccccc21 ZINC000395927033 323268209 /nfs/dbraw/zinc/26/82/09/323268209.db2.gz KIFMZXNJUDZACS-KBPBESRZSA-N 2 0 246.354 1.883 20 0 BDADRP CC[C@H]([NH2+]CC[C@H]1CCCOC1)[C@@H]1CCC[NH2+]1 ZINC000530208673 324525694 /nfs/dbraw/zinc/52/56/94/324525694.db2.gz GOZABVWXQBSAHG-RDBSUJKOSA-N 2 0 240.391 1.923 20 0 BDADRP CC1(C)OC[C@@H]2C[C@@]21[NH2+]CC1CC[NH2+]CC1 ZINC000530244520 324555674 /nfs/dbraw/zinc/55/56/74/324555674.db2.gz MBCNHCJHOLBFGA-WCQYABFASA-N 2 0 224.348 1.143 20 0 BDADRP [NH3+]CCCCNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000071401084 325073254 /nfs/dbraw/zinc/07/32/54/325073254.db2.gz OWUBUWQPUYWWFL-ZDUSSCGKSA-N 2 0 249.358 1.322 20 0 BDADRP CC[NH2+]Cc1ccccc1NC(=O)CCC[NH3+] ZINC000131652478 325173526 /nfs/dbraw/zinc/17/35/26/325173526.db2.gz UBCMNNIVASWPMX-UHFFFAOYSA-N 2 0 235.331 1.474 20 0 BDADRP COC[C@H](C)C[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000131706542 325178353 /nfs/dbraw/zinc/17/83/53/325178353.db2.gz UOPHLHYNWZKKSW-CQSZACIVSA-N 2 0 242.407 1.981 20 0 BDADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCCCCO)C1 ZINC000076001868 325325203 /nfs/dbraw/zinc/32/52/03/325325203.db2.gz DALDWTXIWOPNBS-AWEZNQCLSA-N 2 0 242.407 1.813 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)[C@@H](C)CO)CC1 ZINC000134183940 325347243 /nfs/dbraw/zinc/34/72/43/325347243.db2.gz BGEJJGXTMNOMDO-RYUDHWBXSA-N 2 0 228.380 1.466 20 0 BDADRP CC[C@H](O)C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000253037925 325704713 /nfs/dbraw/zinc/70/47/13/325704713.db2.gz YSYJIDAWXDDHMJ-UPJWGTAASA-N 2 0 228.380 1.658 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H]([NH3+])C2CC2)cc1 ZINC000565421306 325909072 /nfs/dbraw/zinc/90/90/72/325909072.db2.gz VUGZPNGLRIAQMD-NOZJJQNGSA-N 2 0 247.342 1.173 20 0 BDADRP COC[C@H](C)C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000153368096 325951463 /nfs/dbraw/zinc/95/14/63/325951463.db2.gz QQNJMUDWKSOCLK-QWHCGFSZSA-N 2 0 228.380 1.590 20 0 BDADRP C[NH+](C)C1CC([NH2+]C[C@@H]2CCSC2)C1 ZINC000566631410 326070767 /nfs/dbraw/zinc/07/07/67/326070767.db2.gz XFWLTFLSZLFOOV-WHXUTIOJSA-N 2 0 214.378 1.422 20 0 BDADRP C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)C1CC([NH3+])C1 ZINC000566351022 326036251 /nfs/dbraw/zinc/03/62/51/326036251.db2.gz GXTMSWOUDULPDQ-UHFFFAOYSA-N 3 0 245.370 1.254 20 0 BDADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CO[C@@H](C)C1 ZINC000566974498 326098771 /nfs/dbraw/zinc/09/87/71/326098771.db2.gz XNLITMPBEPYYEI-XHVZSJERSA-N 2 0 249.358 1.677 20 0 BDADRP CC[C@@](C)(O)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000154490648 326146454 /nfs/dbraw/zinc/14/64/54/326146454.db2.gz PRLLKWRBMBJHGJ-CQSZACIVSA-N 2 0 240.391 1.611 20 0 BDADRP CC(C)C[C@H](C[NH3+])N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000567521195 326209376 /nfs/dbraw/zinc/20/93/76/326209376.db2.gz UBENKYKCAFXSHO-GRYCIOLGSA-N 2 0 213.369 1.219 20 0 BDADRP COC[C@H]([NH2+]C1CCC(C[NH3+])CC1)C(C)C ZINC000567642666 326237532 /nfs/dbraw/zinc/23/75/32/326237532.db2.gz IUEFGUBVJUOOBP-BPCQOVAHSA-N 2 0 228.380 1.765 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000567654267 326239431 /nfs/dbraw/zinc/23/94/31/326239431.db2.gz KIMJIOJPESNIMG-STQMWFEESA-N 3 0 223.364 1.156 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)C(C)(C)C)C1 ZINC000567682913 326243902 /nfs/dbraw/zinc/24/39/02/326243902.db2.gz BQSCRYZPEBQRGV-XQQFMLRXSA-N 2 0 242.407 1.856 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)C(C)(C)C)C1 ZINC000567682912 326243981 /nfs/dbraw/zinc/24/39/81/326243981.db2.gz BQSCRYZPEBQRGV-UPJWGTAASA-N 2 0 242.407 1.856 20 0 BDADRP COC(=O)C(C)(C)CC[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000567748231 326255048 /nfs/dbraw/zinc/25/50/48/326255048.db2.gz OLZJTPSJOFXCSV-QWRGUYRKSA-N 2 0 242.363 1.387 20 0 BDADRP C[NH2+]CCC(=O)NCCC[NH+](C(C)C)C(C)C ZINC000567805525 326260211 /nfs/dbraw/zinc/26/02/11/326260211.db2.gz IYAAKOOKIWUJGJ-UHFFFAOYSA-N 2 0 243.395 1.221 20 0 BDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)CCCC[NH3+])cc1 ZINC000567831078 326265756 /nfs/dbraw/zinc/26/57/56/326265756.db2.gz LCDBWRYCLJNRNC-LLVKDONJSA-N 2 0 249.358 1.452 20 0 BDADRP O[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC000568243314 326333280 /nfs/dbraw/zinc/33/32/80/326333280.db2.gz UZWFWASSZJKQDG-AWEZNQCLSA-N 2 0 238.375 1.221 20 0 BDADRP Cc1cncc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000568247887 326334282 /nfs/dbraw/zinc/33/42/82/326334282.db2.gz ZUUWAEHPYXBLFP-STQMWFEESA-N 2 0 219.332 1.750 20 0 BDADRP Cc1ncc(C[NH2+][C@H]2CCSC2)n1C ZINC000569021254 326387372 /nfs/dbraw/zinc/38/73/72/326387372.db2.gz RVFIWPDSQWFSJO-VIFPVBQESA-N 2 0 211.334 1.324 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000666149190 487983497 /nfs/dbraw/zinc/98/34/97/487983497.db2.gz HSZMJTJYHHKKAD-BNOWGMLFSA-N 2 0 240.391 1.874 20 0 BDADRP COC[C@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000036960332 487996631 /nfs/dbraw/zinc/99/66/31/487996631.db2.gz SBDSQIRIQGBUIO-LBPRGKRZSA-N 2 0 249.358 1.675 20 0 BDADRP C[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000659924792 488002037 /nfs/dbraw/zinc/00/20/37/488002037.db2.gz GOUXQGUCZGWAEN-YIYPIFLZSA-N 2 0 222.376 1.916 20 0 BDADRP CCC[C@@H]([NH3+])c1cn(CC[NH+]2CCCC2)nn1 ZINC000229954897 488009746 /nfs/dbraw/zinc/00/97/46/488009746.db2.gz SERSEIJLUBHFBZ-LLVKDONJSA-N 2 0 237.351 1.174 20 0 BDADRP CC(C)[C@](C)(O)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400961341 488011661 /nfs/dbraw/zinc/01/16/61/488011661.db2.gz LCPJBJVZJZSDQJ-XJFOESAGSA-N 2 0 240.391 1.371 20 0 BDADRP C(CN1CCCC1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400962520 488011749 /nfs/dbraw/zinc/01/17/49/488011749.db2.gz GKKSASOTRDVWJL-BFHYXJOUSA-N 2 0 237.391 1.060 20 0 BDADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](C)CO)C1 ZINC000121084206 490074271 /nfs/dbraw/zinc/07/42/71/490074271.db2.gz YPUQHCICHQSSRA-OLZOCXBDSA-N 2 0 228.380 1.279 20 0 BDADRP Cc1cccc(OCC[NH2+]CCC[NH3+])c1 ZINC000135298804 488024004 /nfs/dbraw/zinc/02/40/04/488024004.db2.gz QQKVJOPACWUGDX-UHFFFAOYSA-N 2 0 208.305 1.312 20 0 BDADRP CC(C)OCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401066045 488024892 /nfs/dbraw/zinc/02/48/92/488024892.db2.gz LLZWBVUNSZHAHS-FRRDWIJNSA-N 2 0 226.364 1.389 20 0 BDADRP FC(F)(F)CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401061661 488024911 /nfs/dbraw/zinc/02/49/11/488024911.db2.gz JNWGMJYCIHYDRH-LPEHRKFASA-N 2 0 236.281 1.917 20 0 BDADRP O[C@H](C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000682717717 488024974 /nfs/dbraw/zinc/02/49/74/488024974.db2.gz YNKOETKRZPBNII-MELADBBJSA-N 2 0 238.375 1.079 20 0 BDADRP O[C@@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000682717719 488025475 /nfs/dbraw/zinc/02/54/75/488025475.db2.gz YNKOETKRZPBNII-MJBXVCDLSA-N 2 0 238.375 1.079 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401068000 488025391 /nfs/dbraw/zinc/02/53/91/488025391.db2.gz MDYQOSWEGOJVCF-JZRPKSSGSA-N 2 0 226.364 1.124 20 0 BDADRP CCC[NH+]1CCC(NC(=O)CC(C)(C)[NH3+])CC1 ZINC000084184256 488034942 /nfs/dbraw/zinc/03/49/42/488034942.db2.gz XHVPSAZGGDDAFX-UHFFFAOYSA-N 2 0 241.379 1.104 20 0 BDADRP CCOC1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000084385060 488049664 /nfs/dbraw/zinc/04/96/64/488049664.db2.gz HZTKXQLDSLDWNW-GFCCVEGCSA-N 2 0 226.364 1.487 20 0 BDADRP C([C@H]1CNCCO1)[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000221732280 488056013 /nfs/dbraw/zinc/05/60/13/488056013.db2.gz MEYRVKJNAKRSCV-MJBXVCDLSA-N 2 0 238.375 1.629 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000656200679 488067169 /nfs/dbraw/zinc/06/71/69/488067169.db2.gz UFRNJRBXXMIVRV-KQSJRHEJSA-N 2 0 210.321 1.166 20 0 BDADRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](C)CO)C1 ZINC000121084361 490074709 /nfs/dbraw/zinc/07/47/09/490074709.db2.gz YPUQHCICHQSSRA-CHWSQXEVSA-N 2 0 228.380 1.279 20 0 BDADRP CCO[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000677603301 488083865 /nfs/dbraw/zinc/08/38/65/488083865.db2.gz YMVWZCYQOGVULW-ZIAGYGMSSA-N 2 0 240.391 1.972 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000389253513 488085332 /nfs/dbraw/zinc/08/53/32/488085332.db2.gz NEFRJFHHLQVUGP-IHRRRGAJSA-N 2 0 239.407 1.591 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000389467087 488097812 /nfs/dbraw/zinc/09/78/12/488097812.db2.gz UBSRJWWTUICBRL-MELADBBJSA-N 2 0 239.407 1.578 20 0 BDADRP C[NH2+]Cc1ccccc1NC(=O)[C@H](C)[NH+](C)C ZINC000237153486 488106003 /nfs/dbraw/zinc/10/60/03/488106003.db2.gz AFRWPLKYXPAHIU-JTQLQIEISA-N 2 0 235.331 1.295 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)[C@@H]2CC[NH2+][C@H]2C)c1 ZINC000669509259 488108839 /nfs/dbraw/zinc/10/88/39/488108839.db2.gz VWNSTDKCOCIONG-GXFFZTMASA-N 2 0 247.342 1.343 20 0 BDADRP C[C@@]1(C(=O)Nc2cccc(C[NH3+])c2)CCC[NH2+]C1 ZINC000669508307 488108890 /nfs/dbraw/zinc/10/88/90/488108890.db2.gz CJVQFFRZLPCBRG-CQSZACIVSA-N 2 0 247.342 1.474 20 0 BDADRP C[NH+](C)CCC[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000667763018 488111782 /nfs/dbraw/zinc/11/17/82/488111782.db2.gz NONSFHHGHDUNGE-NEPJUHHUSA-N 2 0 212.337 1.095 20 0 BDADRP CC(C)OC(=O)CC[C@@H](C)N1CCC[C@@H]([NH3+])C1 ZINC001172756770 974928134 /nfs/dbraw/zinc/92/81/34/974928134.db2.gz QXUURVFTOHKTNN-VXGBXAGGSA-N 2 0 242.363 1.530 20 0 BDADRP CC(C)[NH+]1CCN(C(=O)CCC(C)(C)[NH3+])CC1 ZINC000070086677 487538046 /nfs/dbraw/zinc/53/80/46/487538046.db2.gz XNRXCPDTIFCNGG-UHFFFAOYSA-N 2 0 241.379 1.057 20 0 BDADRP CCN(CC[NH3+])CCOc1ccc(Cl)cc1 ZINC000231818913 487477691 /nfs/dbraw/zinc/47/76/91/487477691.db2.gz DMXGBXTUISMCFQ-UHFFFAOYSA-N 2 0 242.750 1.999 20 0 BDADRP C[C@@H](C(=O)NCC1([NH3+])CCCCCC1)[NH+](C)C ZINC000237610906 487492614 /nfs/dbraw/zinc/49/26/14/487492614.db2.gz OQRKAFWAJMXKMI-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)C1CC1 ZINC000381031930 487493079 /nfs/dbraw/zinc/49/30/79/487493079.db2.gz DMAPIFOYUSIELJ-WCQYABFASA-N 2 0 228.380 1.418 20 0 BDADRP CC1(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC000381263024 487502079 /nfs/dbraw/zinc/50/20/79/487502079.db2.gz SNEJTKOHDDLKBO-AAEUAGOBSA-N 2 0 208.349 1.847 20 0 BDADRP C[C@H](O)C[NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000666128657 487525050 /nfs/dbraw/zinc/52/50/50/487525050.db2.gz SXTZWCJYUFAAKD-AVGNSLFASA-N 2 0 228.380 1.325 20 0 BDADRP Cc1nc(CN(C)CC[C@H]([NH3+])C(C)C)co1 ZINC000381875059 487525488 /nfs/dbraw/zinc/52/54/88/487525488.db2.gz MBISXGDYXAHJAK-LBPRGKRZSA-N 2 0 225.336 1.788 20 0 BDADRP CC[C@H](C)[N@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000379855764 488155039 /nfs/dbraw/zinc/15/50/39/488155039.db2.gz BZDFGLUQKGDQFI-NWDGAFQWSA-N 2 0 216.369 1.418 20 0 BDADRP CC[C@@H]1C[N@H+](CCCCOC)CC[C@@H]1[NH3+] ZINC000164774424 487894796 /nfs/dbraw/zinc/89/47/96/487894796.db2.gz VWBGBWSKSPZLEW-NEPJUHHUSA-N 2 0 214.353 1.472 20 0 BDADRP c1ccc2c(c1)CC(C[N@H+]1C[C@H]3C[NH2+]C[C@H]3C1)C2 ZINC000685838990 488120074 /nfs/dbraw/zinc/12/00/74/488120074.db2.gz ASISRXREQPOWSB-IYBDPMFKSA-N 2 0 242.366 1.553 20 0 BDADRP c1ccc2c(c1)CC(C[NH+]1C[C@H]3C[NH2+]C[C@@H]3C1)C2 ZINC000685838989 488120167 /nfs/dbraw/zinc/12/01/67/488120167.db2.gz ASISRXREQPOWSB-HZPDHXFCSA-N 2 0 242.366 1.553 20 0 BDADRP CCC[N@H+](C)CC(C)(C)NC[C@H]1CCC[NH+]1C ZINC000662179095 488143940 /nfs/dbraw/zinc/14/39/40/488143940.db2.gz HHZGKUZIVSJRRZ-CYBMUJFWSA-N 2 0 241.423 1.791 20 0 BDADRP Cn1cc(CC[NH+]2CCC(CC[NH3+])CC2)cn1 ZINC000230764303 488155816 /nfs/dbraw/zinc/15/58/16/488155816.db2.gz KOISCWJLDBIHAJ-UHFFFAOYSA-N 2 0 236.363 1.023 20 0 BDADRP CCC[N@@H+]1CC[C@H](NC2CC[NH+](C)CC2)C1 ZINC000328160806 488166574 /nfs/dbraw/zinc/16/65/74/488166574.db2.gz HJWQEVAGGXCNMH-ZDUSSCGKSA-N 2 0 225.380 1.155 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH+]1C)C[C@@H](O)C1CC1 ZINC000678078391 488192720 /nfs/dbraw/zinc/19/27/20/488192720.db2.gz YFMNHFXIYORCQM-QWHCGFSZSA-N 2 0 226.364 1.173 20 0 BDADRP CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)C1CC1 ZINC000323765224 488221178 /nfs/dbraw/zinc/22/11/78/488221178.db2.gz WAVLDHZYJOZCNK-QWHCGFSZSA-N 2 0 228.380 1.466 20 0 BDADRP COC[C@]1(C)CC[N@H+](Cc2cnc(C)n2C)C1 ZINC000668203371 488223708 /nfs/dbraw/zinc/22/37/08/488223708.db2.gz GQLLEDSFFMHOJC-CYBMUJFWSA-N 2 0 237.347 1.587 20 0 BDADRP CC[C@@H]1C[C@H](C)C[N@@H+]1C[C@@H]1CNCCO1 ZINC000399148512 488228123 /nfs/dbraw/zinc/22/81/23/488228123.db2.gz GFFCKFGKZRTEOE-TUAOUCFPSA-N 2 0 212.337 1.095 20 0 BDADRP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C(C)(C)O ZINC000679016782 488303371 /nfs/dbraw/zinc/30/33/71/488303371.db2.gz QAMCKCDPMGORQG-NSHDSACASA-N 2 0 240.391 1.610 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H](C)CCCCO)CC1 ZINC000679340460 488341819 /nfs/dbraw/zinc/34/18/19/488341819.db2.gz TWYICKDPLMPPHQ-CYBMUJFWSA-N 2 0 242.407 1.859 20 0 BDADRP COC[C@H](C)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319718 490051450 /nfs/dbraw/zinc/05/14/50/490051450.db2.gz KZEQVZQOVVJRPG-STQMWFEESA-N 2 0 244.379 1.064 20 0 BDADRP COC[C@H](CC(C)(C)C)[NH2+]CCC[NH+](C)C ZINC000651666469 490129925 /nfs/dbraw/zinc/12/99/25/490129925.db2.gz CYTATTSKUVYSGY-LBPRGKRZSA-N 2 0 230.396 1.979 20 0 BDADRP CN1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000401013328 490180914 /nfs/dbraw/zinc/18/09/14/490180914.db2.gz STTRZOQNWYCCHO-SGMGOOAPSA-N 2 0 237.391 1.058 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCCOC1 ZINC000070013911 490197983 /nfs/dbraw/zinc/19/79/83/490197983.db2.gz BLHXSDUUCNGIBC-GHMZBOCLSA-N 2 0 200.326 1.095 20 0 BDADRP c1cn2c(n1)C[C@H]([NH2+][C@@H]1CO[C@@H](C3CC3)C1)CC2 ZINC000668012000 490318420 /nfs/dbraw/zinc/31/84/20/490318420.db2.gz PNWPLHWYCQHWNI-FRRDWIJNSA-N 2 0 247.342 1.355 20 0 BDADRP C[C@H]1CCNC[C@@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000335516669 490394800 /nfs/dbraw/zinc/39/48/00/490394800.db2.gz RZHINHCZPVQNDU-ABXWRUBCSA-N 2 0 239.407 1.447 20 0 BDADRP COC[C@H]([NH2+]CC1([NH3+])CCCC1)C1CC1 ZINC000397996580 490562991 /nfs/dbraw/zinc/56/29/91/490562991.db2.gz CBBVIVFFAQRAPF-NSHDSACASA-N 2 0 212.337 1.273 20 0 BDADRP Cc1ncsc1C[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000129270849 490618960 /nfs/dbraw/zinc/61/89/60/490618960.db2.gz BYNPONMUGLUEAO-SNVBAGLBSA-N 2 0 227.377 1.915 20 0 BDADRP C[N@@H+](Cc1ccc(O)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000131445986 490639005 /nfs/dbraw/zinc/63/90/05/490639005.db2.gz LWENVPRZQFWQFT-CYBMUJFWSA-N 2 0 234.343 1.776 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1C[C@@H]1CCCCO1 ZINC000216164780 491052787 /nfs/dbraw/zinc/05/27/87/491052787.db2.gz HLSTXJOTOCQHAY-WOPDTQHZSA-N 2 0 212.337 1.225 20 0 BDADRP C[NH+](C)[C@@H]1CCCN(C(=O)CCC(C)(C)[NH3+])C1 ZINC000091392366 491071693 /nfs/dbraw/zinc/07/16/93/491071693.db2.gz BPGMOQRKWUGNCM-LLVKDONJSA-N 2 0 241.379 1.057 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)C1CC[NH+](C)CC1 ZINC000228855336 491107290 /nfs/dbraw/zinc/10/72/90/491107290.db2.gz AMUXGMLPQMVXDL-CYZMBNFOSA-N 2 0 240.391 1.466 20 0 BDADRP C[NH2+]Cc1cccc(N[C@H]2CC[NH2+]C2)c1 ZINC000414868065 491112040 /nfs/dbraw/zinc/11/20/40/491112040.db2.gz OOMJWINDRIHUKX-LBPRGKRZSA-N 2 0 205.305 1.180 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)CN(C)C)C1CC[NH+](C)CC1 ZINC000130172082 491119277 /nfs/dbraw/zinc/11/92/77/491119277.db2.gz GBLZVOUAIYQKLF-NWDGAFQWSA-N 2 0 227.396 1.256 20 0 BDADRP CO[C@@H](C)CC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000309429589 491149193 /nfs/dbraw/zinc/14/91/93/491149193.db2.gz FWYZLTUHHLXBFR-NWDGAFQWSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000488426593 533727093 /nfs/dbraw/zinc/72/70/93/533727093.db2.gz WKEKIPQJCYZESO-CHWSQXEVSA-N 2 0 239.407 1.258 20 0 BDADRP C[C@H]([NH2+]CC(C)(C)C(C)(C)O)[C@H]1CCC[NH2+]1 ZINC000400407137 533828028 /nfs/dbraw/zinc/82/80/28/533828028.db2.gz SBMJZLDVTFKQIA-WDEREUQCSA-N 2 0 228.380 1.514 20 0 BDADRP C[C@@H]1C[C@H]1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000488333627 534016964 /nfs/dbraw/zinc/01/69/64/534016964.db2.gz OUBMOWAWBDDWAS-YPMHNXCESA-N 2 0 210.365 1.916 20 0 BDADRP C[C@@H]1C[C@H]1C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000488426594 534029221 /nfs/dbraw/zinc/02/92/21/534029221.db2.gz WKEKIPQJCYZESO-OLZOCXBDSA-N 2 0 239.407 1.258 20 0 BDADRP Cc1ccc(C[NH2+][C@@H](C)CCCC[NH3+])nc1 ZINC000400834679 534077657 /nfs/dbraw/zinc/07/76/57/534077657.db2.gz SDXFUNOAIVMBPS-LBPRGKRZSA-N 2 0 221.348 1.997 20 0 BDADRP COC(=O)[C@@H]1CCC[C@@H]([NH2+]CCCC[NH3+])CC1 ZINC001172775104 974940885 /nfs/dbraw/zinc/94/08/85/974940885.db2.gz ZIVKPNZHTMBDQT-VXGBXAGGSA-N 2 0 242.363 1.437 20 0 BDADRP C[NH+]1CCC(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC000892114656 582795020 /nfs/dbraw/zinc/79/50/20/582795020.db2.gz PXUBCPGLBJKNRM-BETUJISGSA-N 2 0 222.376 1.916 20 0 BDADRP C1[NH2+]C[C@H]2CC[C@@H]([NH2+][C@@H]3CCCSC3)C[C@@H]12 ZINC000401038970 526423665 /nfs/dbraw/zinc/42/36/65/526423665.db2.gz SNKYZAZZVBGQJF-YVECIDJPSA-N 2 0 240.416 1.860 20 0 BDADRP CC[N@@H+]1CC[C@H](CN[C@@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000400718408 527814304 /nfs/dbraw/zinc/81/43/04/527814304.db2.gz NSQCTRMRPMOITA-YNEHKIRRSA-N 2 0 225.380 1.058 20 0 BDADRP CC(C)OCCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400358300 527950122 /nfs/dbraw/zinc/95/01/22/527950122.db2.gz CALTYHUDRXIFRG-NEPJUHHUSA-N 2 0 214.353 1.532 20 0 BDADRP CCC[C@H](CCO)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400438635 528126518 /nfs/dbraw/zinc/12/65/18/528126518.db2.gz LVRGVUPQFUATLO-UPJWGTAASA-N 2 0 228.380 1.515 20 0 BDADRP CCOCCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000309545675 528670888 /nfs/dbraw/zinc/67/08/88/528670888.db2.gz ZRVVFHJNMIPYKY-BETUJISGSA-N 2 0 226.364 1.344 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400359296 529327884 /nfs/dbraw/zinc/32/78/84/529327884.db2.gz CLICCKGNOVGJJG-IJLUTSLNSA-N 2 0 214.353 1.125 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCOC[C@H]2C)C1 ZINC000249107072 534958898 /nfs/dbraw/zinc/95/88/98/534958898.db2.gz PTBSYXJZTINQMW-MGPQQGTHSA-N 2 0 240.391 1.733 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCOC[C@@H]2C)C1 ZINC000249107075 534959083 /nfs/dbraw/zinc/95/90/83/534959083.db2.gz PTBSYXJZTINQMW-MJBXVCDLSA-N 2 0 240.391 1.733 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000223024797 535004535 /nfs/dbraw/zinc/00/45/35/535004535.db2.gz SWPBKKKDAUYUAN-STQMWFEESA-N 2 0 228.380 1.874 20 0 BDADRP CC(C)n1cc(C[NH2+]CCCC[NH+](C)C)cn1 ZINC000226242993 535062244 /nfs/dbraw/zinc/06/22/44/535062244.db2.gz YTIFTWDCALYJIL-UHFFFAOYSA-N 2 0 238.379 1.895 20 0 BDADRP CC(C)[C@](C)(O)C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000261531932 535285002 /nfs/dbraw/zinc/28/50/02/535285002.db2.gz IKOGPMJAVXBCEB-GRYCIOLGSA-N 2 0 214.353 1.110 20 0 BDADRP CCOCCC[NH+]1CCC(CC[NH2+]C)CC1 ZINC000083552513 535516178 /nfs/dbraw/zinc/51/61/78/535516178.db2.gz VRXLAPRWRFAMHS-UHFFFAOYSA-N 2 0 228.380 1.735 20 0 BDADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)CCOC)C1 ZINC000252717090 535526958 /nfs/dbraw/zinc/52/69/58/535526958.db2.gz ZTRSPKDZLUDMAD-OLZOCXBDSA-N 2 0 228.380 1.733 20 0 BDADRP CC[NH+](CC)CCN[C@H]1CCC[NH2+]CC1 ZINC000168699237 535540392 /nfs/dbraw/zinc/54/03/92/535540392.db2.gz DBDCUPYGPJHMMJ-LBPRGKRZSA-N 2 0 213.369 1.060 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@H]1CCC[NH2+]CC1 ZINC000168745005 535590594 /nfs/dbraw/zinc/59/05/94/535590594.db2.gz OAKFUWZVGVNCNQ-STQMWFEESA-N 2 0 227.396 1.448 20 0 BDADRP CCOC1CC([NH2+]CCC[N@H+](C)C(C)C)C1 ZINC000224371649 535760512 /nfs/dbraw/zinc/76/05/12/535760512.db2.gz RINMCPXHAWAXAH-UHFFFAOYSA-N 2 0 228.380 1.874 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@H]1CCCOC1 ZINC000070014150 535832072 /nfs/dbraw/zinc/83/20/72/535832072.db2.gz RECVIGRZHZBXJW-NSHDSACASA-N 2 0 200.326 1.097 20 0 BDADRP CC[C@@H]1COCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000084384875 535834682 /nfs/dbraw/zinc/83/46/82/535834682.db2.gz FZLHEQWEBGRSAA-NWDGAFQWSA-N 2 0 212.337 1.097 20 0 BDADRP CC[C@]1(C)CC[N@H+](CCOCC[NH3+])C1 ZINC000261538600 535908373 /nfs/dbraw/zinc/90/83/73/535908373.db2.gz YRZHODPQAJDUEH-LLVKDONJSA-N 2 0 200.326 1.084 20 0 BDADRP C[NH+](C)[C@H]1CCCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000261775988 536137851 /nfs/dbraw/zinc/13/78/51/536137851.db2.gz FBKRDWNHVOSYDJ-KBPBESRZSA-N 2 0 239.407 1.402 20 0 BDADRP CCc1cc(N2CC[NH+]3CCC2CC3)cc[nH+]1 ZINC000336196005 536146258 /nfs/dbraw/zinc/14/62/58/536146258.db2.gz KMENFPSFILYYTM-UHFFFAOYSA-N 2 0 231.343 1.928 20 0 BDADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cocn3)C2)CC1 ZINC000349151818 536346075 /nfs/dbraw/zinc/34/60/75/536346075.db2.gz OPFFQAJTBNYVSX-ZDUSSCGKSA-N 2 0 249.358 1.838 20 0 BDADRP C[NH2+][C@@H](C)Cc1noc(C2CC[NH+](C)CC2)n1 ZINC000258049337 536348172 /nfs/dbraw/zinc/34/81/72/536348172.db2.gz OYWAJTXTVAWUOV-VIFPVBQESA-N 2 0 238.335 1.029 20 0 BDADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](O)C1 ZINC000217611701 536357374 /nfs/dbraw/zinc/35/73/74/536357374.db2.gz XTWZNTCZGIEMQK-QWHCGFSZSA-N 2 0 226.364 1.318 20 0 BDADRP C[NH2+][C@H](C)CNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000261865154 536399353 /nfs/dbraw/zinc/39/93/53/536399353.db2.gz YYJGZTXCZDCHBW-WOPDTQHZSA-N 2 0 241.379 1.008 20 0 BDADRP COCC[C@@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000226430076 536768113 /nfs/dbraw/zinc/76/81/13/536768113.db2.gz CNELLXXHFDQRMY-VXGBXAGGSA-N 2 0 216.369 1.717 20 0 BDADRP CO[C@H]1C[C@H]([NH2+]C2CC[NH2+]CC2)C1(C)C ZINC000261531114 536827224 /nfs/dbraw/zinc/82/72/24/536827224.db2.gz FFZFFMTUGSFDRL-QWRGUYRKSA-N 2 0 212.337 1.142 20 0 BDADRP COCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000036960317 536893205 /nfs/dbraw/zinc/89/32/05/536893205.db2.gz CGSVVMIABHKGEH-UHFFFAOYSA-N 2 0 235.331 1.286 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCC2SCCS2)C1 ZINC000853023509 588716674 /nfs/dbraw/zinc/71/66/74/588716674.db2.gz ZLVOGPLFGFRQJP-UWVGGRQHSA-N 2 0 246.445 1.852 20 0 BDADRP C([NH2+][C@H]1CCC12CCOCC2)C12CC(C1)C[NH2+]2 ZINC000854227096 588780540 /nfs/dbraw/zinc/78/05/40/588780540.db2.gz LQXAKCYFTIMDFQ-LXVYMNJGSA-N 2 0 236.359 1.287 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCCCCC[NH3+])CN1C1CC1 ZINC000843342774 582510927 /nfs/dbraw/zinc/51/09/27/582510927.db2.gz UKASBIQVPIAXMB-QWHCGFSZSA-N 2 0 239.407 1.720 20 0 BDADRP Cc1cc(N)nc(N2CCC(C[NH+](C)C)CC2)[nH+]1 ZINC000891882851 582734992 /nfs/dbraw/zinc/73/49/92/582734992.db2.gz IDQCZWITSVVUAX-UHFFFAOYSA-N 2 0 249.362 1.145 20 0 BDADRP CCN(CC)C(=[NH2+])NCC1([NH+](C)C)CCC1 ZINC000849020512 582828399 /nfs/dbraw/zinc/82/83/99/582828399.db2.gz AKMQKOLDLVSIMZ-UHFFFAOYSA-N 2 0 226.368 1.337 20 0 BDADRP C[C@@H]1COCCN1C1CC[NH+](CC2CC2)CC1 ZINC000584329504 582962792 /nfs/dbraw/zinc/96/27/92/582962792.db2.gz LVDQGLLWAYMPLW-GFCCVEGCSA-N 2 0 238.375 1.582 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@H]2CC[C@H](CO)CC2)CC1 ZINC000893125250 583053212 /nfs/dbraw/zinc/05/32/12/583053212.db2.gz DAEMTZKNTMRNTH-HDJSIYSDSA-N 2 0 240.391 1.469 20 0 BDADRP CC[C@@H]1CO[C@H](C)CN1Cc1c(C)ccnc1N ZINC000893894124 583244718 /nfs/dbraw/zinc/24/47/18/583244718.db2.gz AVPUJXQWEFJQSM-VXGBXAGGSA-N 2 0 249.358 1.972 20 0 BDADRP CC[C@@H]1CO[C@@H](C)CN1Cc1c(C)ccnc1N ZINC000893894122 583245357 /nfs/dbraw/zinc/24/53/57/583245357.db2.gz AVPUJXQWEFJQSM-NWDGAFQWSA-N 2 0 249.358 1.972 20 0 BDADRP C[C@H]1C[NH+](CC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000726844444 583378420 /nfs/dbraw/zinc/37/84/20/583378420.db2.gz PXRJMFMZVWLUNT-RYUDHWBXSA-N 2 0 226.364 1.437 20 0 BDADRP [NH3+][C@]12CCC[C@@H]1C[N@H+](C[C@H]1CCCOC1)C2 ZINC000857226503 588895814 /nfs/dbraw/zinc/89/58/14/588895814.db2.gz QDDMBJULAAGOHI-UPJWGTAASA-N 2 0 224.348 1.226 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCCCCCO ZINC000300836784 583463570 /nfs/dbraw/zinc/46/35/70/583463570.db2.gz LHVORABGDHDQAI-LBPRGKRZSA-N 2 0 228.380 1.517 20 0 BDADRP COC[C@@H]1CC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000894613425 583494559 /nfs/dbraw/zinc/49/45/59/583494559.db2.gz XKKIZGRUAVGKPH-LBPRGKRZSA-N 2 0 212.337 1.049 20 0 BDADRP CCn1ccc(C[NH2+]CC2CC[NH+](C)CC2)n1 ZINC000894893920 583549140 /nfs/dbraw/zinc/54/91/40/583549140.db2.gz JZKPWJMWGOCESF-UHFFFAOYSA-N 2 0 236.363 1.334 20 0 BDADRP c1cc2c(ncnc2N[C@H]2Cc3cncn3C2)[nH]1 ZINC000894995286 583565977 /nfs/dbraw/zinc/56/59/77/583565977.db2.gz AMDFOQDHMGVUPC-QMMMGPOBSA-N 2 0 240.270 1.191 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCC[C@H](F)C2)CC1 ZINC000895191638 583621917 /nfs/dbraw/zinc/62/19/17/583621917.db2.gz QOSSLVUZUYBOML-LBPRGKRZSA-N 2 0 214.328 1.762 20 0 BDADRP CSc1ccc(CN(C)CC2C[NH+](C)C2)o1 ZINC000895261052 583634453 /nfs/dbraw/zinc/63/44/53/583634453.db2.gz VRDAVQWYIWERLS-UHFFFAOYSA-N 2 0 240.372 1.995 20 0 BDADRP CS[C@@H]1CC[C@H]1[NH2+]CC[C@@H](C)[NH+](C)C ZINC000895291371 583636970 /nfs/dbraw/zinc/63/69/70/583636970.db2.gz FAJPIINLFCTBEI-GMTAPVOTSA-N 2 0 216.394 1.810 20 0 BDADRP CO[C@](C)(C[NH2+]CC[C@H](C)[NH+](C)C)C1CC1 ZINC000895294375 583638285 /nfs/dbraw/zinc/63/82/85/583638285.db2.gz VIUFPBICDPYMDD-WCQYABFASA-N 2 0 228.380 1.731 20 0 BDADRP Cc1cc(N2CC[C@H](CC[NH+](C)C)C2)nc(C)n1 ZINC000895331774 583653349 /nfs/dbraw/zinc/65/33/49/583653349.db2.gz XOLBSCXLRIJDPS-ZDUSSCGKSA-N 2 0 248.374 1.871 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@H]2C[C@H](O)C23CCC3)CC1 ZINC000895399615 583666134 /nfs/dbraw/zinc/66/61/34/583666134.db2.gz CKPJQBUWYORTMS-STQMWFEESA-N 2 0 238.375 1.221 20 0 BDADRP C[C@@H](CC[NH2+]C1CC2(C1)CO[C@H](C)C2)[NH+](C)C ZINC000895429264 583669127 /nfs/dbraw/zinc/66/91/27/583669127.db2.gz LZWXOCKJHHMGEE-MRFVTOPCSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H](O)C1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000895443772 583674453 /nfs/dbraw/zinc/67/44/53/583674453.db2.gz YWTPBTDLEMMIAE-WAAKLRNESA-N 2 0 224.348 1.115 20 0 BDADRP C[C@@H]([NH2+]CCC[NH3+])c1ccc(Cl)nc1 ZINC000147945038 583806160 /nfs/dbraw/zinc/80/61/60/583806160.db2.gz APVJZKHMPIXNRG-MRVPVSSYSA-N 2 0 213.712 1.734 20 0 BDADRP C[C@@H](C[NH+]1CCCCC1)Nc1cc[nH+]c(CO)c1 ZINC000858346207 588947644 /nfs/dbraw/zinc/94/76/44/588947644.db2.gz GDULIFDIBJBSQQ-LBPRGKRZSA-N 2 0 249.358 1.860 20 0 BDADRP CC(=O)CC[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000729921104 584029551 /nfs/dbraw/zinc/02/95/51/584029551.db2.gz XHHUWAYTDYQGGR-GFCCVEGCSA-N 2 0 221.304 1.499 20 0 BDADRP CC[C@](C)(C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)OC ZINC000897620192 584032245 /nfs/dbraw/zinc/03/22/45/584032245.db2.gz IPIHCFIQCATDFJ-BFHYXJOUSA-N 2 0 240.391 1.685 20 0 BDADRP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897819453 584051574 /nfs/dbraw/zinc/05/15/74/584051574.db2.gz SCSIVNUNMSJVIV-NVQREJKGSA-N 2 0 248.370 1.235 20 0 BDADRP C[C@@H]1C[C@H](Nc2cc[nH+]c(CO)c2)C[N@@H+]1C1CC1 ZINC000858441381 588954974 /nfs/dbraw/zinc/95/49/74/588954974.db2.gz PWRQIYLPZMTPQC-PWSUYJOCSA-N 2 0 247.342 1.611 20 0 BDADRP C[NH+]1CCC(C[NH2+]CC[C@H](O)C2CC2)CC1 ZINC000898191991 584095755 /nfs/dbraw/zinc/09/57/55/584095755.db2.gz BIRINFYVHIHRRB-ZDUSSCGKSA-N 2 0 226.364 1.079 20 0 BDADRP Cc1cc(NC[C@H](C2CC2)[NH+](C)C)nc(N)[nH+]1 ZINC000730107126 584123715 /nfs/dbraw/zinc/12/37/15/584123715.db2.gz XOVRTPXODSJANC-SNVBAGLBSA-N 2 0 235.335 1.119 20 0 BDADRP COC[C@H](C)C[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC000873231648 584127613 /nfs/dbraw/zinc/12/76/13/584127613.db2.gz PZEYBUMNGFTYTK-UTUOFQBUSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCCOC1 ZINC000873251401 584128027 /nfs/dbraw/zinc/12/80/27/584128027.db2.gz MKCUBRKIHJUDEE-KKOKHZNYSA-N 2 0 212.337 1.128 20 0 BDADRP Cc1ncc([C@@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)c(C)n1 ZINC000873258247 584128157 /nfs/dbraw/zinc/12/81/57/584128157.db2.gz YWXMNPGZYHGKHK-GGZOMVNGSA-N 2 0 234.347 1.481 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)[C@H]2CCC[C@@H]21 ZINC000873254922 584128184 /nfs/dbraw/zinc/12/81/84/584128184.db2.gz BJMZCZRMJCKUKG-POQQGIQPSA-N 3 0 237.391 1.186 20 0 BDADRP c1c([C@H]2CCCC[NH2+]2)nnn1CC[NH+]1CCCC1 ZINC000899729952 584231105 /nfs/dbraw/zinc/23/11/05/584231105.db2.gz DSHNVUJNXTVDHI-GFCCVEGCSA-N 2 0 249.362 1.189 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCc2ccccn2)C1 ZINC000902319968 584552433 /nfs/dbraw/zinc/55/24/33/584552433.db2.gz NRFNIZODKHBMHG-CQSZACIVSA-N 2 0 247.386 1.992 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000902375194 584567858 /nfs/dbraw/zinc/56/78/58/584567858.db2.gz BEYZXKSPEJYMED-JHJVBQTASA-N 2 0 240.391 1.658 20 0 BDADRP CC1(C)[C@H](O)C[C@H]1[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902376318 584567902 /nfs/dbraw/zinc/56/79/02/584567902.db2.gz JGZWSFGMNLBASF-QJPTWQEYSA-N 2 0 240.391 1.514 20 0 BDADRP CC(C)(O)CC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902376923 584568630 /nfs/dbraw/zinc/56/86/30/584568630.db2.gz NXJJKPLTPDXWNC-NSHDSACASA-N 2 0 228.380 1.515 20 0 BDADRP CC(C)(O)CC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902376922 584568641 /nfs/dbraw/zinc/56/86/41/584568641.db2.gz NXJJKPLTPDXWNC-LLVKDONJSA-N 2 0 228.380 1.515 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCC2(CO)CC2)C1 ZINC000902385989 584578283 /nfs/dbraw/zinc/57/82/83/584578283.db2.gz CKMBFOLSUXPBFT-GFCCVEGCSA-N 2 0 240.391 1.517 20 0 BDADRP CC[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)[C@H](C)O ZINC000902389165 584580380 /nfs/dbraw/zinc/58/03/80/584580380.db2.gz VOFBRGPQNLNTDZ-SRVKXCTJSA-N 2 0 228.380 1.514 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]CC2([NH3+])CC2)C12CCCC2 ZINC000902412781 584580922 /nfs/dbraw/zinc/58/09/22/584580922.db2.gz DTRSQQRNYOHDNM-NWDGAFQWSA-N 2 0 238.375 1.805 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H](N[C@H]2CCCC[NH2+]C2)C1 ZINC000902392285 584582941 /nfs/dbraw/zinc/58/29/41/584582941.db2.gz GTOXWLMNXPYJDT-OLZOCXBDSA-N 2 0 239.407 1.496 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H](N[C@@H]2CCCC[NH2+]C2)C1 ZINC000902392284 584583087 /nfs/dbraw/zinc/58/30/87/584583087.db2.gz GTOXWLMNXPYJDT-CHWSQXEVSA-N 2 0 239.407 1.496 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCOCCF)C1 ZINC000902400547 584587053 /nfs/dbraw/zinc/58/70/53/584587053.db2.gz SUHAESVZIHKSMI-NSHDSACASA-N 2 0 232.343 1.340 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902401783 584587571 /nfs/dbraw/zinc/58/75/71/584587571.db2.gz DKVFFRWUYWOXOX-JHJVBQTASA-N 2 0 240.391 1.779 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H](NCc2cc(N)cc[nH+]2)C1 ZINC000902403871 584588268 /nfs/dbraw/zinc/58/82/68/584588268.db2.gz TWUOLKXVKPSTFR-GFCCVEGCSA-N 2 0 248.374 1.532 20 0 BDADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCC1([NH3+])CC1 ZINC000902405555 584589604 /nfs/dbraw/zinc/58/96/04/584589604.db2.gz ITMMYYMLIPCJJR-YPMHNXCESA-N 2 0 233.359 1.026 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000902428002 584594085 /nfs/dbraw/zinc/59/40/85/584594085.db2.gz AEAZCAISSFEXGB-RNJOBUHISA-N 2 0 228.380 1.643 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[C@H](C2CC2)O1 ZINC000902428294 584594213 /nfs/dbraw/zinc/59/42/13/584594213.db2.gz BIQXRQXNVFILOB-FVCCEPFGSA-N 2 0 224.348 1.413 20 0 BDADRP C[C@H]1C[N@H+](C)C[C@H]1N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902437971 584596384 /nfs/dbraw/zinc/59/63/84/584596384.db2.gz LHGJZLRTGTVJGQ-CJYSPXJISA-N 2 0 245.370 1.151 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902436572 584596412 /nfs/dbraw/zinc/59/64/12/584596412.db2.gz ZWDQIYDJYCQVQF-QPKOPYBWSA-N 2 0 245.370 1.199 20 0 BDADRP CCC[NH+]1CCC(N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC000902473104 584600872 /nfs/dbraw/zinc/60/08/72/584600872.db2.gz QUPZAOWQNRMGQE-HZSPNIEDSA-N 2 0 237.391 1.343 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H](NC[C@@H]2CCCCC[NH2+]2)C1 ZINC000902474093 584601924 /nfs/dbraw/zinc/60/19/24/584601924.db2.gz AEIPFRBHONDXPA-UPJWGTAASA-N 2 0 225.380 1.378 20 0 BDADRP C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCCC[NH2+]1 ZINC000902474736 584602698 /nfs/dbraw/zinc/60/26/98/584602698.db2.gz FBJJKWXHZULPFY-WJLOJVBCSA-N 2 0 237.391 1.391 20 0 BDADRP COCCC[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902475956 584603021 /nfs/dbraw/zinc/60/30/21/584603021.db2.gz KJXKIPKLCJOAGC-WHOHXGKFSA-N 2 0 212.337 1.284 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1NC[C@@H]1CCCCC[NH2+]1 ZINC000902478714 584603759 /nfs/dbraw/zinc/60/37/59/584603759.db2.gz WJFGNDUAVFMYBK-NWDGAFQWSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)C1CC[NH+](C)CC1 ZINC000902449079 584605474 /nfs/dbraw/zinc/60/54/74/584605474.db2.gz LUZDHJHXEXDGDO-DGCLKSJQSA-N 3 0 239.407 1.304 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@H]1C[NH2+]CC1(C)C ZINC000902448562 584605705 /nfs/dbraw/zinc/60/57/05/584605705.db2.gz GNNAPCYBSNTHML-RTXFEEFZSA-N 2 0 237.391 1.057 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902451597 584607404 /nfs/dbraw/zinc/60/74/04/584607404.db2.gz GZBSTMPHOLHZAC-SRJSSNNKSA-N 2 0 236.359 1.269 20 0 BDADRP C[C@H]([NH2+][C@H]1C[NH2+]CC1(C)C)[C@@H]1CCCOC1 ZINC000902451387 584607574 /nfs/dbraw/zinc/60/75/74/584607574.db2.gz XEWKMVRBHCUYPU-TUAOUCFPSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@H](NCC[N@@H+]1CCC(C)(C)C1)[C@H]1CCC[NH2+]1 ZINC000902454168 584608735 /nfs/dbraw/zinc/60/87/35/584608735.db2.gz GPPIJCZPZFFECV-QWHCGFSZSA-N 2 0 239.407 1.448 20 0 BDADRP CC1(C)CC[N@H+](CCN[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000902453636 584608875 /nfs/dbraw/zinc/60/88/75/584608875.db2.gz CVPCRXLVYIQLNI-QWHCGFSZSA-N 2 0 239.407 1.578 20 0 BDADRP CC1(C)CC[N@H+](CCN[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000902455171 584609346 /nfs/dbraw/zinc/60/93/46/584609346.db2.gz KDPJOKLTQSSLAW-OLZOCXBDSA-N 2 0 239.407 1.435 20 0 BDADRP CC1(C)CC[N@H+](CCN[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000902455173 584609402 /nfs/dbraw/zinc/60/94/02/584609402.db2.gz KDPJOKLTQSSLAW-STQMWFEESA-N 2 0 239.407 1.435 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902454772 584609452 /nfs/dbraw/zinc/60/94/52/584609452.db2.gz VHQKLNGNTADZDP-SRJSSNNKSA-N 2 0 236.359 1.140 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902454782 584609649 /nfs/dbraw/zinc/60/96/49/584609649.db2.gz VQMFLDLOOAPDJK-DHGFIAHBSA-N 2 0 236.359 1.412 20 0 BDADRP C1C[NH2+][C@H]([C@H]2CCC[C@@H]2N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000902461997 584611848 /nfs/dbraw/zinc/61/18/48/584611848.db2.gz RYVKVTVASFOMKP-PMKSJIGOSA-N 2 0 249.402 1.390 20 0 BDADRP CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@@H]1C[C@H]1C ZINC000902465636 584614074 /nfs/dbraw/zinc/61/40/74/584614074.db2.gz HOCCHWYXSFGUBC-RBBWPXTMSA-N 2 0 208.349 1.904 20 0 BDADRP CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@H]1C[C@@H]1C ZINC000902465639 584614186 /nfs/dbraw/zinc/61/41/86/584614186.db2.gz HOCCHWYXSFGUBC-XALSLBCYSA-N 2 0 208.349 1.904 20 0 BDADRP COCC[C@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902468321 584614568 /nfs/dbraw/zinc/61/45/68/584614568.db2.gz VAKXACDOENEBQG-XGFWRYKXSA-N 2 0 238.375 1.674 20 0 BDADRP C[N@@H+]1CC[C@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)[C@H]2CCC[C@@H]21 ZINC000902470620 584616642 /nfs/dbraw/zinc/61/66/42/584616642.db2.gz YXFWHCNSIRCEOQ-QAIIKZMUSA-N 2 0 249.402 1.342 20 0 BDADRP C[N@@H+]1CC[C@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)[C@@H]2CCC[C@H]21 ZINC000902470619 584616697 /nfs/dbraw/zinc/61/66/97/584616697.db2.gz YXFWHCNSIRCEOQ-PKCACUDHSA-N 2 0 249.402 1.342 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C1 ZINC000902491342 584618188 /nfs/dbraw/zinc/61/81/88/584618188.db2.gz XUGRRXHTUOMYAZ-SRVKXCTJSA-N 3 0 225.380 1.092 20 0 BDADRP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cscn1 ZINC000902490869 584618261 /nfs/dbraw/zinc/61/82/61/584618261.db2.gz VPWJPMLRXIZLIJ-CIUDSAMLSA-N 2 0 211.334 1.531 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC[C@H](O)C2CC2)C1 ZINC000902505413 584621367 /nfs/dbraw/zinc/62/13/67/584621367.db2.gz RVXDUBYDNDJMJR-WOPDTQHZSA-N 2 0 212.337 1.007 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CC[C@H](O)C2CC2)C12CCC2 ZINC000902504612 584621586 /nfs/dbraw/zinc/62/15/86/584621586.db2.gz OYNFGDSDQDMKJR-TUAOUCFPSA-N 2 0 224.348 1.007 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC[C@@H](O)C1CC1 ZINC000902504583 584621606 /nfs/dbraw/zinc/62/16/06/584621606.db2.gz OVFHTCTYFJKLOA-JHJVBQTASA-N 2 0 226.364 1.397 20 0 BDADRP CC[C@H]([NH2+]CC[C@@H](O)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000902506205 584621939 /nfs/dbraw/zinc/62/19/39/584621939.db2.gz XIOPVHFPEIGPBU-RWMBFGLXSA-N 2 0 226.364 1.268 20 0 BDADRP Cc1ncccc1CC[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000902511090 584622979 /nfs/dbraw/zinc/62/29/79/584622979.db2.gz BUTPTIXSYTWZKY-GHMZBOCLSA-N 2 0 221.348 1.648 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCC[NH2+]2)CCO1 ZINC000902481548 584623827 /nfs/dbraw/zinc/62/38/27/584623827.db2.gz DKYJQWQVHZRUEV-UPJWGTAASA-N 2 0 226.364 1.676 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1CCCCC[NH2+]1)[C@@H]1CCOC1 ZINC000902482471 584623944 /nfs/dbraw/zinc/62/39/44/584623944.db2.gz LPNUVOPDUOEEKB-MCIONIFRSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H](NC[C@@H]1CCCCC[NH2+]1)c1c[nH+]ccc1N ZINC000902483254 584623947 /nfs/dbraw/zinc/62/39/47/584623947.db2.gz QDKLCNCLJARSRT-RYUDHWBXSA-N 2 0 248.374 1.677 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1NC[C@@H]1CCCCC[NH2+]1 ZINC000902484648 584624555 /nfs/dbraw/zinc/62/45/55/584624555.db2.gz XBSLUGYEPQKMHX-RWMBFGLXSA-N 2 0 225.380 1.236 20 0 BDADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H]2C2CCC2)C1 ZINC000902484191 584624591 /nfs/dbraw/zinc/62/45/91/584624591.db2.gz FJVAJHHVEMSSOJ-XYJRDEOASA-N 2 0 208.349 1.892 20 0 BDADRP Cc1cncc([C@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)c1 ZINC000902488203 584626549 /nfs/dbraw/zinc/62/65/49/584626549.db2.gz XEPLRKNIAYSSGZ-GVXVVHGQSA-N 2 0 219.332 1.778 20 0 BDADRP Cc1cncc([C@@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)c1 ZINC000902488210 584626915 /nfs/dbraw/zinc/62/69/15/584626915.db2.gz XEPLRKNIAYSSGZ-NQBHXWOUSA-N 2 0 219.332 1.778 20 0 BDADRP Cc1ncccc1CC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000902514149 584629643 /nfs/dbraw/zinc/62/96/43/584629643.db2.gz RAALDYZRISFGJE-IUODEOHRSA-N 2 0 247.386 1.910 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]C/C=C/Cl ZINC000902517975 584630225 /nfs/dbraw/zinc/63/02/25/584630225.db2.gz JNTRJKABXSEWSA-HYYFJVDXSA-N 2 0 206.717 1.082 20 0 BDADRP C[C@H]1C[C@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)CCN1C ZINC000903266142 584741198 /nfs/dbraw/zinc/74/11/98/584741198.db2.gz UDAZZPVCYSWMMR-ASEORRQLSA-N 2 0 238.375 1.626 20 0 BDADRP CC(C)[C@@](C)(C[NH3+])[NH2+]CCc1ccns1 ZINC000903426471 584761206 /nfs/dbraw/zinc/76/12/06/584761206.db2.gz LDFOKZMNGJIOPU-LLVKDONJSA-N 2 0 227.377 1.649 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)C(C1CC1)C1CC1 ZINC000903433016 584762226 /nfs/dbraw/zinc/76/22/26/584762226.db2.gz RAWLLBLATNNXIK-MFKMUULPSA-N 2 0 222.376 1.962 20 0 BDADRP Cn1nccc1[C@@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000903421122 584763887 /nfs/dbraw/zinc/76/38/87/584763887.db2.gz QGIYNSYKNCRMQB-AWEZNQCLSA-N 2 0 248.374 1.557 20 0 BDADRP COC[C@H](C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1)C(C)C ZINC000903459270 584765674 /nfs/dbraw/zinc/76/56/74/584765674.db2.gz FTXNQURCJJPIJF-KBPBESRZSA-N 2 0 240.391 1.733 20 0 BDADRP C[N@@H+](CC1=CCSC1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903464711 584765873 /nfs/dbraw/zinc/76/58/73/584765873.db2.gz XARNMCZZXWVGND-PWSUYJOCSA-N 2 0 226.389 1.719 20 0 BDADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C2 ZINC000903460850 584766851 /nfs/dbraw/zinc/76/68/51/584766851.db2.gz JYAPDNXFPQYGJO-RFGFWPKPSA-N 3 0 237.391 1.175 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000903443610 584768513 /nfs/dbraw/zinc/76/85/13/584768513.db2.gz FLPDVKOCLZXHPK-DYEKYZERSA-N 2 0 237.391 1.010 20 0 BDADRP C([C@H]1CCC[NH2+]1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000903453604 584772587 /nfs/dbraw/zinc/77/25/87/584772587.db2.gz DJRHBJIMBRGKOM-MCIONIFRSA-N 2 0 237.391 1.202 20 0 BDADRP [NH3+]CCN(CCc1ccccc1)C[C@H]1CCC[NH2+]1 ZINC000903452668 584772597 /nfs/dbraw/zinc/77/25/97/584772597.db2.gz PWTOQRAHIURBQL-OAHLLOKOSA-N 2 0 247.386 1.242 20 0 BDADRP [NH3+]CCCCCCC[N@@H+]1CCC[C@H]1CO ZINC000903453942 584773020 /nfs/dbraw/zinc/77/30/20/584773020.db2.gz PYGUMAZWKHKCQO-LBPRGKRZSA-N 2 0 214.353 1.352 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCOC[C@H]2C2CC2)C1 ZINC000903454960 584773672 /nfs/dbraw/zinc/77/36/72/584773672.db2.gz OWSNRWUCPVIYQV-UHTWSYAYSA-N 2 0 224.348 1.225 20 0 BDADRP COC[C@H](C[NH2+][C@H]1CC[NH2+]CC1(C)C)C(C)C ZINC000903455515 584774314 /nfs/dbraw/zinc/77/43/14/584774314.db2.gz XZALMHZTHDAJTJ-STQMWFEESA-N 2 0 242.407 1.883 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)CC1=CCSC1 ZINC000903464665 584774317 /nfs/dbraw/zinc/77/43/17/584774317.db2.gz VLIDMYUDAOXINS-PWSUYJOCSA-N 2 0 226.389 1.447 20 0 BDADRP [NH3+]CCCCCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903470798 584774877 /nfs/dbraw/zinc/77/48/77/584774877.db2.gz DBMYSDWXMHMPCI-LBPRGKRZSA-N 3 0 225.380 1.380 20 0 BDADRP [NH3+][C@@H]1CC[C@H](CN2CCC[C@@H]3C[NH2+]CC[C@H]32)C1 ZINC000903475716 584776879 /nfs/dbraw/zinc/77/68/79/584776879.db2.gz BBJSBWMCBYBGMH-REWJHTLYSA-N 2 0 237.391 1.188 20 0 BDADRP CC(C)(C)[C@]1(C[NH3+])CCN(C[C@H]2CCC[NH2+]2)C1 ZINC000903475802 584777043 /nfs/dbraw/zinc/77/70/43/584777043.db2.gz DJELRNZJIVRYTD-OCCSQVGLSA-N 2 0 239.407 1.435 20 0 BDADRP COCCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903481860 584778207 /nfs/dbraw/zinc/77/82/07/584778207.db2.gz OOOACIQVDBLPSB-LLVKDONJSA-N 2 0 212.337 1.287 20 0 BDADRP C[C@@H]1C[N@H+](CCCCCC[NH3+])C[C@H]1CC[NH3+] ZINC000903498308 584779953 /nfs/dbraw/zinc/77/99/53/584779953.db2.gz DCIMLMJGZVLJRQ-CHWSQXEVSA-N 3 0 227.396 1.422 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903500125 584780167 /nfs/dbraw/zinc/78/01/67/584780167.db2.gz SUNUYAGEEDWCGI-ZIAGYGMSSA-N 2 0 241.423 1.635 20 0 BDADRP OC[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000903491017 584780883 /nfs/dbraw/zinc/78/08/83/584780883.db2.gz RBGAMYWWZMUEJY-OAHLLOKOSA-N 2 0 246.354 1.289 20 0 BDADRP CC1(C)C[N@H+](CC[C@@H]2CCC[NH2+]C2)C[C@@H]1N ZINC000903558876 584783166 /nfs/dbraw/zinc/78/31/66/584783166.db2.gz SFSKPGPOTJFZLK-RYUDHWBXSA-N 2 0 225.380 1.045 20 0 BDADRP C[C@@H]1CCOCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000903708514 584791324 /nfs/dbraw/zinc/79/13/24/584791324.db2.gz XYTZUMHJRPFZAJ-LLVKDONJSA-N 2 0 212.337 1.097 20 0 BDADRP C[NH2+]C[C@H]1CCCN1C[C@H]1CCCC[NH2+]C1 ZINC000903716676 584791834 /nfs/dbraw/zinc/79/18/34/584791834.db2.gz BQZZEALRYMTPHD-QWHCGFSZSA-N 2 0 225.380 1.060 20 0 BDADRP C[NH2+]C[C@@H]1CCCN1C[C@@H]1CCCC[NH2+]C1 ZINC000903716675 584791889 /nfs/dbraw/zinc/79/18/89/584791889.db2.gz BQZZEALRYMTPHD-OLZOCXBDSA-N 2 0 225.380 1.060 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](CCOC2CCSCC2)C1 ZINC000903717097 584792079 /nfs/dbraw/zinc/79/20/79/584792079.db2.gz ZONVXYZCMAPKCW-NSHDSACASA-N 2 0 244.404 1.179 20 0 BDADRP CC[NH+](CC)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717143 584792268 /nfs/dbraw/zinc/79/22/68/584792268.db2.gz HPTJQSGVWFZOTE-GFCCVEGCSA-N 2 0 226.364 1.487 20 0 BDADRP C([C@@H]1CCCC[NH2+]C1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903716902 584792300 /nfs/dbraw/zinc/79/23/00/584792300.db2.gz DRHNEXKXYJZOIW-MCIONIFRSA-N 2 0 237.391 1.202 20 0 BDADRP CC1(C)CC[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903730838 584793085 /nfs/dbraw/zinc/79/30/85/584793085.db2.gz ZXGZBPFEPUEUPH-TZMCWYRMSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@H](O)CC[N@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000903730440 584793199 /nfs/dbraw/zinc/79/31/99/584793199.db2.gz WHFFVTWEJIZAGE-NWDGAFQWSA-N 2 0 214.353 1.079 20 0 BDADRP [NH3+]C[C@H]1CCCCN1C[C@H]1CCCC[NH2+]C1 ZINC000903713598 584793395 /nfs/dbraw/zinc/79/33/95/584793395.db2.gz XHARYWUDZVTCBT-QWHCGFSZSA-N 2 0 225.380 1.189 20 0 BDADRP [NH3+]CC1CC[NH+](C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903713114 584793676 /nfs/dbraw/zinc/79/36/76/584793676.db2.gz FLKLXMXAPFKEQR-ZDUSSCGKSA-N 3 0 225.380 1.047 20 0 BDADRP C[C@@H]1[NH2+]CCN(C[C@H]2CCCC[NH2+]C2)[C@H]1C ZINC000903747978 584795105 /nfs/dbraw/zinc/79/51/05/584795105.db2.gz XSDDJWKMUFPILL-AVGNSLFASA-N 2 0 225.380 1.058 20 0 BDADRP CC1CC(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000903751066 584795793 /nfs/dbraw/zinc/79/57/93/584795793.db2.gz DJEKCHSBCHYQJQ-JXQTWKCFSA-N 2 0 237.391 1.012 20 0 BDADRP C([C@@H]1CCCC[NH2+]C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000903744528 584796703 /nfs/dbraw/zinc/79/67/03/584796703.db2.gz UKNTUVKBKVQYPV-ZIAGYGMSSA-N 2 0 237.391 1.062 20 0 BDADRP [NH3+]C1(C[NH2+]CCOC2CCSCC2)CCC1 ZINC000903744901 584796782 /nfs/dbraw/zinc/79/67/82/584796782.db2.gz YVBDDSFIHKZHMU-UHFFFAOYSA-N 2 0 244.404 1.370 20 0 BDADRP C[N@@H+](CC1=CCCOC1)C[C@@H]1CCCC[NH2+]C1 ZINC000903766120 584797471 /nfs/dbraw/zinc/79/74/71/584797471.db2.gz PCILUGOMEFVXEG-CYBMUJFWSA-N 2 0 238.375 1.655 20 0 BDADRP C[C@@H]1CC[C@@H](O)C[N@@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903762800 584797659 /nfs/dbraw/zinc/79/76/59/584797659.db2.gz DITBEDAAERIHJO-FRRDWIJNSA-N 2 0 226.364 1.221 20 0 BDADRP CC1CC(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000903770028 584797903 /nfs/dbraw/zinc/79/79/03/584797903.db2.gz RRJMMMIREFHQDN-FIYWTHMPSA-N 2 0 208.349 1.846 20 0 BDADRP CC1CC(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000903770030 584797993 /nfs/dbraw/zinc/79/79/93/584797993.db2.gz RRJMMMIREFHQDN-IFWUJCSASA-N 2 0 208.349 1.846 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CCN1C[C@@H]1CCCC[NH2+]C1 ZINC000903769164 584798192 /nfs/dbraw/zinc/79/81/92/584798192.db2.gz YWVWVKKMZAEFTG-JHJVBQTASA-N 2 0 225.380 1.188 20 0 BDADRP CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903757289 584798452 /nfs/dbraw/zinc/79/84/52/584798452.db2.gz BQBGTCUQNJAOAN-XDQVBPFNSA-N 2 0 240.391 1.779 20 0 BDADRP CC[C@H](C)[C@H](C)[NH2+]C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903757287 584798509 /nfs/dbraw/zinc/79/85/09/584798509.db2.gz BQBGTCUQNJAOAN-FQUUOJAGSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]C1)[C@H]1CCCOC1 ZINC000903758517 584798616 /nfs/dbraw/zinc/79/86/16/584798616.db2.gz LQRIMCNUZKDSER-MJBXVCDLSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@H](O)C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793877 584799040 /nfs/dbraw/zinc/79/90/40/584799040.db2.gz WQNLMEFDVOUVKZ-ZDUSSCGKSA-N 2 0 248.370 1.360 20 0 BDADRP C([C@H]1CCCC[NH2+]C1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000903781342 584799735 /nfs/dbraw/zinc/79/97/35/584799735.db2.gz QSLQIYJAWGZDHS-MELADBBJSA-N 2 0 237.391 1.202 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@H]1CCCC[NH2+]C1 ZINC000903782444 584800114 /nfs/dbraw/zinc/80/01/14/584800114.db2.gz NDMFOHRVPNNNBP-TUAOUCFPSA-N 2 0 225.380 1.092 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@@H]1CCCC[NH2+]C1 ZINC000903782445 584800385 /nfs/dbraw/zinc/80/03/85/584800385.db2.gz NDMFOHRVPNNNBP-UTUOFQBUSA-N 2 0 225.380 1.092 20 0 BDADRP [NH3+]C[C@]12CC[C@@H]1CCCN2CC[C@H]1CC[NH2+]C1 ZINC000903803180 584802085 /nfs/dbraw/zinc/80/20/85/584802085.db2.gz WPPNPDUBCMEQQO-HZSPNIEDSA-N 2 0 237.391 1.189 20 0 BDADRP [NH3+]CCCN1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903811199 584803339 /nfs/dbraw/zinc/80/33/39/584803339.db2.gz JPITZIDWSRUABV-GFCCVEGCSA-N 2 0 225.380 1.319 20 0 BDADRP C([C@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000903831419 584806087 /nfs/dbraw/zinc/80/60/87/584806087.db2.gz JRHVCYHQHTXDSZ-FRRDWIJNSA-N 2 0 236.359 1.097 20 0 BDADRP C[NH2+]CCC[N@@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000903832987 584806207 /nfs/dbraw/zinc/80/62/07/584806207.db2.gz UVXHXNQWPVXLBA-NSHDSACASA-N 2 0 239.388 1.617 20 0 BDADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H]1C[C@@]13CCOC3)C2 ZINC000903838267 584806875 /nfs/dbraw/zinc/80/68/75/584806875.db2.gz AWPCUMPWGGZNDB-PDWCTOEPSA-N 2 0 236.359 1.225 20 0 BDADRP [NH3+]CCCCCCC[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000903840491 584807430 /nfs/dbraw/zinc/80/74/30/584807430.db2.gz RILNTFGKSXCMIB-NWDGAFQWSA-N 2 0 232.343 1.300 20 0 BDADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCCCCO)C2 ZINC000903845257 584807504 /nfs/dbraw/zinc/80/75/04/584807504.db2.gz GETFORMYACUBIA-AVGNSLFASA-N 2 0 226.364 1.351 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903859816 584810912 /nfs/dbraw/zinc/81/09/12/584810912.db2.gz OTVMNKJWJUVDKG-UONOGXRCSA-N 2 0 239.407 1.532 20 0 BDADRP CC(C)[NH2+]C1CCN(C[C@H]([NH3+])CC(F)F)CC1 ZINC000903889799 584813547 /nfs/dbraw/zinc/81/35/47/584813547.db2.gz VMHPRDUTYQDFJI-SNVBAGLBSA-N 2 0 249.349 1.431 20 0 BDADRP Cc1cnccc1CN1CCC[C@]12CC[NH2+]C2 ZINC000903869055 584813675 /nfs/dbraw/zinc/81/36/75/584813675.db2.gz AADLOADIURDBIQ-CQSZACIVSA-N 2 0 231.343 1.718 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903869960 584814350 /nfs/dbraw/zinc/81/43/50/584814350.db2.gz LCQMXGSLPKSMMY-YNEHKIRRSA-N 2 0 224.348 1.239 20 0 BDADRP C([C@@H]1C[C@]12CCOC2)[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903869634 584814467 /nfs/dbraw/zinc/81/44/67/584814467.db2.gz JCNCLTASDPIAGA-MELADBBJSA-N 2 0 236.359 1.241 20 0 BDADRP CCCN(C[C@@H]([NH3+])CC(F)F)C1CC[NH2+]CC1 ZINC000903873521 584815844 /nfs/dbraw/zinc/81/58/44/584815844.db2.gz JBMPTKXZMPDRAS-JTQLQIEISA-N 2 0 249.349 1.433 20 0 BDADRP [NH3+][C@H](CC(F)F)CN1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000903873729 584815881 /nfs/dbraw/zinc/81/58/81/584815881.db2.gz LUFXJDCHFJJOQA-OCPDBYLZSA-N 2 0 247.333 1.313 20 0 BDADRP CC[C@@H]1CN(C[C@H]([NH3+])CC(F)F)CC[C@H]1[NH3+] ZINC000903873712 584815948 /nfs/dbraw/zinc/81/59/48/584815948.db2.gz LFBFBKOUGNVZBC-OPRDCNLKSA-N 2 0 235.322 1.028 20 0 BDADRP C[C@@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@H]1[NH3+] ZINC000903873750 584815951 /nfs/dbraw/zinc/81/59/51/584815951.db2.gz MDMGLMMFRIVLEY-RKFYDKJMSA-N 3 0 237.391 1.186 20 0 BDADRP C[N@H+](C[C@@H](N)CC(F)F)C1CCC([NH3+])CC1 ZINC000903873279 584815979 /nfs/dbraw/zinc/81/59/79/584815979.db2.gz GHSNIUBKVHLINV-KYHHOPLUSA-N 2 0 235.322 1.171 20 0 BDADRP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000903874373 584816173 /nfs/dbraw/zinc/81/61/73/584816173.db2.gz YZOPLXGOAFHKOK-VYHDIPPYSA-N 2 0 249.402 1.343 20 0 BDADRP CC(C)(CCO)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903899208 584820702 /nfs/dbraw/zinc/82/07/02/584820702.db2.gz QVYQXJZMHLZBHE-UHFFFAOYSA-N 2 0 248.370 1.583 20 0 BDADRP [NH3+][C@H](C[NH2+]C1(CO)CCCCC1)CC(F)F ZINC000903905473 584821279 /nfs/dbraw/zinc/82/12/79/584821279.db2.gz GQUMPWOIWJOWLK-VIFPVBQESA-N 2 0 236.306 1.254 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](N)CC(F)F ZINC000903918610 584822555 /nfs/dbraw/zinc/82/25/55/584822555.db2.gz CQCGSQJZZWKEQF-DTWKUNHWSA-N 2 0 223.311 1.076 20 0 BDADRP C[C@H]1CCNC[C@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903919883 584823079 /nfs/dbraw/zinc/82/30/79/584823079.db2.gz QBXIYMFCFOCSGF-APYLGABCSA-N 2 0 237.391 1.105 20 0 BDADRP C[NH2+]Cc1cccc(NC[C@H]([NH3+])CC(F)F)c1 ZINC000903919862 584823318 /nfs/dbraw/zinc/82/33/18/584823318.db2.gz PVQIUFAUOIBVFX-SNVBAGLBSA-N 2 0 243.301 1.800 20 0 BDADRP CC[C@H](C)[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903925839 584823589 /nfs/dbraw/zinc/82/35/89/584823589.db2.gz HSRLMXPPVXWRKV-WDEREUQCSA-N 2 0 237.351 1.091 20 0 BDADRP c1ccc(CC[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1 ZINC000903925585 584823764 /nfs/dbraw/zinc/82/37/64/584823764.db2.gz OHTNYRWHSXJJTL-LQDVMPOASA-N 2 0 245.370 1.744 20 0 BDADRP C[C@@H]1[C@@H](CO)CCCN1C[C@@H]([NH3+])CC(F)F ZINC000903929630 584824245 /nfs/dbraw/zinc/82/42/45/584824245.db2.gz IEDWMRUDTRTDDD-BBBLOLIVSA-N 2 0 236.306 1.062 20 0 BDADRP C([NH2+][C@H]1CCCOCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903926592 584824385 /nfs/dbraw/zinc/82/43/85/584824385.db2.gz MUIUXSVQWMGIOP-PBNFFQIGSA-N 2 0 238.375 1.676 20 0 BDADRP C[C@@H]1C[C@H](C)N(C[C@H]([NH3+])CC(F)F)C[C@H]1C[NH3+] ZINC000903930129 584824563 /nfs/dbraw/zinc/82/45/63/584824563.db2.gz STDPFMXGBSEGPI-LMLFDSFASA-N 2 0 249.349 1.274 20 0 BDADRP C[NH+](C)C1CCC([NH2+]C[C@@H](N)CC(F)F)CC1 ZINC000903929237 584824567 /nfs/dbraw/zinc/82/45/67/584824567.db2.gz CMNPJRVBAWUWIG-WHXUTIOJSA-N 3 0 249.349 1.431 20 0 BDADRP C[C@@H]1CCCN(C[C@H]([NH3+])CC(F)F)[C@H]1CC[NH3+] ZINC000903931392 584824782 /nfs/dbraw/zinc/82/47/82/584824782.db2.gz CLNNAFYHBQGOCJ-MXWKQRLJSA-N 2 0 249.349 1.418 20 0 BDADRP C[N@@H+](Cc1cnc[nH]1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903931382 584825211 /nfs/dbraw/zinc/82/52/11/584825211.db2.gz CFMFDXFNQCGJHH-YOGCLGLASA-N 2 0 234.347 1.372 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H](NC[C@H]([NH3+])CC(F)F)C1 ZINC000903934768 584825608 /nfs/dbraw/zinc/82/56/08/584825608.db2.gz KCTCKJSBMRJCRT-NXEZZACHSA-N 2 0 249.349 1.337 20 0 BDADRP Cc1cccn2c(C[NH2+]CCC(C)(C)[NH3+])cnc12 ZINC000903938545 584826203 /nfs/dbraw/zinc/82/62/03/584826203.db2.gz FUQVIAMBOOJOJC-UHFFFAOYSA-N 2 0 246.358 1.860 20 0 BDADRP C([NH2+][C@]12CCC[C@@H]1[NH2+]CC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903937134 584826264 /nfs/dbraw/zinc/82/62/64/584826264.db2.gz BYAHIAWSJNVMRW-CHZLEKFTSA-N 3 0 249.402 1.391 20 0 BDADRP C[N@H+](CCCCCC[NH3+])C[C@@H](N)CC(F)F ZINC000903937868 584826325 /nfs/dbraw/zinc/82/63/25/584826325.db2.gz SZNJWHSGUHQYQL-JTQLQIEISA-N 2 0 237.338 1.420 20 0 BDADRP [NH3+][C@@H](CNC[C@H]([NH3+])c1ccccc1)CC(F)F ZINC000903918045 584826967 /nfs/dbraw/zinc/82/69/67/584826967.db2.gz QYPUHQUBVTYHMG-MNOVXSKESA-N 2 0 243.301 1.259 20 0 BDADRP CC(C)(C)[NH2+]CCNC[C@@H]1C[NH2+]CCC1(F)F ZINC000903958405 584827745 /nfs/dbraw/zinc/82/77/45/584827745.db2.gz ZLEUEXGORTXSLF-JTQLQIEISA-N 2 0 249.349 1.209 20 0 BDADRP CC[C@@H](COC)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903956970 584827773 /nfs/dbraw/zinc/82/77/73/584827773.db2.gz ODGHAWZTDVTJBC-ZJUUUORDSA-N 2 0 236.306 1.246 20 0 BDADRP CCOC[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903957900 584827814 /nfs/dbraw/zinc/82/78/14/584827814.db2.gz UJYSDNQQNWQYRS-NXEZZACHSA-N 2 0 236.306 1.246 20 0 BDADRP C(N1CCCC[C@@]2(CC[NH2+]C2)C1)C12CC(C1)C[NH2+]2 ZINC000903959604 584827853 /nfs/dbraw/zinc/82/78/53/584827853.db2.gz KRTCSEIVPWKKSL-SLTAFYQDSA-N 2 0 249.402 1.204 20 0 BDADRP CCC1([NH3+])CCN(C[C@@H](C[NH3+])C(C)C)CC1 ZINC000903948167 584830362 /nfs/dbraw/zinc/83/03/62/584830362.db2.gz MJBNHXWFSWVSFO-GFCCVEGCSA-N 2 0 227.396 1.421 20 0 BDADRP Nc1cc[nH+]c(CN[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000903954777 584832274 /nfs/dbraw/zinc/83/22/74/584832274.db2.gz VJLBNYJVTFYQDH-MWLCHTKSSA-N 2 0 220.320 1.023 20 0 BDADRP Nc1cc[nH+]c(CN[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000903954776 584832293 /nfs/dbraw/zinc/83/22/93/584832293.db2.gz VJLBNYJVTFYQDH-KOLCDFICSA-N 2 0 220.320 1.023 20 0 BDADRP COC[C@@H](C)C[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903956685 584832398 /nfs/dbraw/zinc/83/23/98/584832398.db2.gz MXBBYGCHXSCYSW-VHSXEESVSA-N 2 0 236.306 1.103 20 0 BDADRP CCn1ccnc1C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903974731 584832482 /nfs/dbraw/zinc/83/24/82/584832482.db2.gz QYCFIVOAEKPSRQ-VXGBXAGGSA-N 2 0 236.363 1.238 20 0 BDADRP Cc1nn(C)cc1C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903973759 584832493 /nfs/dbraw/zinc/83/24/93/584832493.db2.gz FRZHQFMNAVONSD-ZYHUDNBSSA-N 2 0 236.363 1.064 20 0 BDADRP Cc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000903964580 584833784 /nfs/dbraw/zinc/83/37/84/584833784.db2.gz LOLQEUMNJOPDKS-OCCSQVGLSA-N 2 0 218.344 1.940 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2C[C@@H](N)C(C)(C)C2)CC[NH2+]1 ZINC000903987033 584835754 /nfs/dbraw/zinc/83/57/54/584835754.db2.gz XBBQLRXBOXQKLX-GRYCIOLGSA-N 2 0 225.380 1.044 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)C1 ZINC000904297375 584860019 /nfs/dbraw/zinc/86/00/19/584860019.db2.gz KQNPVRIPXDJSMK-FQUUOJAGSA-N 3 0 237.391 1.188 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CN1CCC[NH2+]CC1 ZINC000904299961 584860503 /nfs/dbraw/zinc/86/05/03/584860503.db2.gz SJTGHMABJPCYKS-GFCCVEGCSA-N 2 0 227.396 1.435 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904299761 584860515 /nfs/dbraw/zinc/86/05/15/584860515.db2.gz NSZHCTZACSXAQW-GXTWGEPZSA-N 3 0 239.407 1.435 20 0 BDADRP [NH3+][C@H]1C[C@@H](CN2CCCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000904299960 584860756 /nfs/dbraw/zinc/86/07/56/584860756.db2.gz SJKRLNWBYZLNRD-XJFOESAGSA-N 2 0 237.391 1.330 20 0 BDADRP C[C@@H]1CN(C[C@@H]([NH3+])CCC(C)(C)C)CC[C@@H]1[NH3+] ZINC000904299579 584860775 /nfs/dbraw/zinc/86/07/75/584860775.db2.gz IRHMIBFIUJJWDD-AGIUHOORSA-N 2 0 241.423 1.809 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CN1CCC[C@@H]([NH3+])C1 ZINC000904299565 584860782 /nfs/dbraw/zinc/86/07/82/584860782.db2.gz IACJLHKTWQLZNU-NEPJUHHUSA-N 2 0 227.396 1.563 20 0 BDADRP C[NH2+]C[C@H]1CCCN1C[C@]1(C)CCC[NH2+]C1 ZINC000904301497 584861365 /nfs/dbraw/zinc/86/13/65/584861365.db2.gz MIANKRTYFDTGDB-CHWSQXEVSA-N 2 0 225.380 1.060 20 0 BDADRP C[NH2+]C[C@@H]1CCCN1C[C@]1(C)CCC[NH2+]C1 ZINC000904301499 584861567 /nfs/dbraw/zinc/86/15/67/584861567.db2.gz MIANKRTYFDTGDB-QWHCGFSZSA-N 2 0 225.380 1.060 20 0 BDADRP CC[C@H]1C[N@H+](Cc2ccc(C[NH3+])cc2)CC[C@H]1[NH3+] ZINC000904302056 584861715 /nfs/dbraw/zinc/86/17/15/584861715.db2.gz UKGMLMLWAAYOAT-LSDHHAIUSA-N 2 0 247.386 1.705 20 0 BDADRP C[C@@H]1[NH2+]CCN(Cc2ccc(C[NH3+])cc2)[C@H]1C ZINC000904301720 584861975 /nfs/dbraw/zinc/86/19/75/584861975.db2.gz PQJKWSVTMGWJMI-RYUDHWBXSA-N 2 0 233.359 1.328 20 0 BDADRP C[N@H+](CCC[NH+]1CCCC1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904338243 584863203 /nfs/dbraw/zinc/86/32/03/584863203.db2.gz PJAAQYUCHSJSLK-BETUJISGSA-N 3 0 225.380 1.141 20 0 BDADRP COC1CCC([N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904322256 584864909 /nfs/dbraw/zinc/86/49/09/584864909.db2.gz UHOAQYJOJPYVMU-MPEURRAXSA-N 2 0 226.364 1.613 20 0 BDADRP CN(C)c1cccc(C[N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000904327109 584865521 /nfs/dbraw/zinc/86/55/21/584865521.db2.gz ZBDUTJNAZZRHMP-OKILXGFUSA-N 2 0 247.386 1.922 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1n1ccnc1 ZINC000904327958 584865598 /nfs/dbraw/zinc/86/55/98/584865598.db2.gz JZQQUUAIOHJIHO-MQYQWHSLSA-N 2 0 248.374 1.503 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCOC[C@H]2c2ccccc2)C1 ZINC000904341556 584867032 /nfs/dbraw/zinc/86/70/32/584867032.db2.gz PFUOVXLJVCZSGN-CFVMTHIKSA-N 2 0 246.354 1.797 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC(OCC3CC3)CC2)C1 ZINC000904341534 584867191 /nfs/dbraw/zinc/86/71/91/584867191.db2.gz OHXDJUXXZXSZHW-BETUJISGSA-N 2 0 238.375 1.615 20 0 BDADRP CC(C)c1ncc(C[N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)cn1 ZINC000904342457 584867433 /nfs/dbraw/zinc/86/74/33/584867433.db2.gz IBJLPSIDDSITDD-BJHJDKERSA-N 2 0 248.374 1.769 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC([C@H]3CCCO3)CC2)C1 ZINC000904341483 584867536 /nfs/dbraw/zinc/86/75/36/584867536.db2.gz RWLSOYUIRZPDSB-KWCYVHTRSA-N 2 0 238.375 1.615 20 0 BDADRP CC(C)(C)[C@@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1O ZINC000904345273 584868098 /nfs/dbraw/zinc/86/80/98/584868098.db2.gz BXLGNHCSDRRPFW-XQHKEYJVSA-N 2 0 240.391 1.453 20 0 BDADRP CC(C)C[C@]1(CO)CCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904345813 584868521 /nfs/dbraw/zinc/86/85/21/584868521.db2.gz JISQKYPCSRLYOY-MJBXVCDLSA-N 2 0 240.391 1.597 20 0 BDADRP C[C@@H]1CN(Cc2ccc(C[NH3+])cc2)[C@H](C)C[NH2+]1 ZINC000904349812 584868901 /nfs/dbraw/zinc/86/89/01/584868901.db2.gz CKICVZCFUYDBFH-VXGBXAGGSA-N 2 0 233.359 1.328 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CNC1CC[NH2+]CC1 ZINC000904350284 584869171 /nfs/dbraw/zinc/86/91/71/584869171.db2.gz JZCUJXVMRBUMLP-LLVKDONJSA-N 2 0 227.396 1.482 20 0 BDADRP C[C@@H]1CN(C[C@H]([NH3+])CCC(C)(C)C)[C@@H](C)C[NH2+]1 ZINC000904351152 584869268 /nfs/dbraw/zinc/86/92/68/584869268.db2.gz VCERXRPGVWUNMK-FRRDWIJNSA-N 2 0 241.423 1.822 20 0 BDADRP C[C@@]1(CN2CC[C@@]3(CC[NH2+]C3)C2)CCC[NH2+]C1 ZINC000904351180 584869554 /nfs/dbraw/zinc/86/95/54/584869554.db2.gz VUXZOOKJBLVNON-ZIAGYGMSSA-N 2 0 237.391 1.062 20 0 BDADRP NC[C@H]([NH2+]C1CC(C[NH3+])C1)C1CCCCC1 ZINC000904352855 584869769 /nfs/dbraw/zinc/86/97/69/584869769.db2.gz DOYXRLPZOFXZLC-GDKBPFBDSA-N 3 0 225.380 1.221 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000904353174 584869821 /nfs/dbraw/zinc/86/98/21/584869821.db2.gz HQTJXXQOPFMQGU-CQSZACIVSA-N 3 0 233.359 1.235 20 0 BDADRP [NH3+][C@H]1C[C@@H](CN2CC[NH2+]Cc3ccccc32)C1 ZINC000904354041 584870360 /nfs/dbraw/zinc/87/03/60/584870360.db2.gz UUYNLVBEEWNAES-BJHJDKERSA-N 2 0 231.343 1.334 20 0 BDADRP C[NH2+]Cc1ccc(NC[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000904354691 584870630 /nfs/dbraw/zinc/87/06/30/584870630.db2.gz JKDYHLUZQDPTLC-TXEJJXNPSA-N 2 0 219.332 1.555 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@@H]([NH3+])CCC(C)(C)C ZINC000904354748 584870578 /nfs/dbraw/zinc/87/05/78/584870578.db2.gz DVNYJYAEIHRKQW-AVGNSLFASA-N 2 0 241.423 1.870 20 0 BDADRP [NH3+]CC1CC([NH2+]C[C@@H]2NCCc3ccccc32)C1 ZINC000904355650 584871106 /nfs/dbraw/zinc/87/11/06/584871106.db2.gz QFINKRICEKHBFI-HGMXIMQMSA-N 2 0 245.370 1.200 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000904355617 584871121 /nfs/dbraw/zinc/87/11/21/584871121.db2.gz UWHQHEUYQXNNAM-UPJWGTAASA-N 3 0 225.380 1.093 20 0 BDADRP C[C@]1(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000904355614 584871319 /nfs/dbraw/zinc/87/13/19/584871319.db2.gz UWHQHEUYQXNNAM-AGIUHOORSA-N 3 0 225.380 1.093 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H]([NH3+])CCC(C)(C)C ZINC000904356350 584871497 /nfs/dbraw/zinc/87/14/97/584871497.db2.gz WIYVLAGHRIWJAP-AGIUHOORSA-N 2 0 241.423 1.728 20 0 BDADRP Cc1noc(C)c1C[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904360684 584871819 /nfs/dbraw/zinc/87/18/19/584871819.db2.gz OBURGIRPHHTQNC-AOOOYVTPSA-N 2 0 209.293 1.118 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)C1 ZINC000904361265 584871978 /nfs/dbraw/zinc/87/19/78/584871978.db2.gz ZKYGUFKSAZTWMN-NZEXEKPDSA-N 2 0 224.348 1.271 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CNCCC[NH2+]C1CC1 ZINC000904358890 584872354 /nfs/dbraw/zinc/87/23/54/584872354.db2.gz UMZNQSNTORRRJL-GFCCVEGCSA-N 2 0 241.423 1.872 20 0 BDADRP [NH3+]CC1CC([NH2+]CCc2cn3ccccc3n2)C1 ZINC000904367771 584872741 /nfs/dbraw/zinc/87/27/41/584872741.db2.gz IKVJAPLGCLQTIO-UHFFFAOYSA-N 2 0 244.342 1.204 20 0 BDADRP CC[NH+](CC)CCCNC[C@]1(C)CCC[NH2+]C1 ZINC000904367764 584872910 /nfs/dbraw/zinc/87/29/10/584872910.db2.gz HZVDPYBRHPGEAL-CQSZACIVSA-N 2 0 241.423 1.698 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)C1 ZINC000904372096 584873437 /nfs/dbraw/zinc/87/34/37/584873437.db2.gz YMFCSVGSZCGGEZ-FAAHXZRKSA-N 2 0 246.354 1.532 20 0 BDADRP Cc1cccc(CC[NH2+]C2CC(C[NH3+])C2)c1 ZINC000904366114 584874684 /nfs/dbraw/zinc/87/46/84/584874684.db2.gz FLMVELSVSBZTLW-UHFFFAOYSA-N 2 0 218.344 1.864 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CNc3ccccc3C2)C1 ZINC000904375590 584875200 /nfs/dbraw/zinc/87/52/00/584875200.db2.gz CHLQGNHGQCRPTO-KGYLQXTDSA-N 2 0 231.343 1.350 20 0 BDADRP C[NH2+]C[C@H](C)NC[C@H]([NH3+])CCC(C)(C)C ZINC000904379986 584876751 /nfs/dbraw/zinc/87/67/51/584876751.db2.gz YUYMBUKLOPFXFA-WDEREUQCSA-N 2 0 215.385 1.338 20 0 BDADRP CC1(C)C[C@H](O)C[N@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904383927 584877243 /nfs/dbraw/zinc/87/72/43/584877243.db2.gz DDWVXYZLCTUESB-JSGCOSHPSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC000904383992 584877517 /nfs/dbraw/zinc/87/75/17/584877517.db2.gz GEGXQPAFVWHFFW-OCCSQVGLSA-N 3 0 239.407 1.354 20 0 BDADRP C[C@]1(CNCc2cc(N)cc[nH+]2)CCC[NH2+]C1 ZINC000904386302 584877701 /nfs/dbraw/zinc/87/77/01/584877701.db2.gz VVBBCMOHHMMBBP-ZDUSSCGKSA-N 2 0 234.347 1.143 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccc(C[NH3+])cc2)C[C@H]1C[NH3+] ZINC000904385507 584877945 /nfs/dbraw/zinc/87/79/45/584877945.db2.gz ZQCBGIVUHYLTRM-SMDDNHRTSA-N 3 0 233.359 1.172 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](Cc2cnc3ccccn23)C1 ZINC000904405594 584878452 /nfs/dbraw/zinc/87/84/52/584878452.db2.gz KCYPWRGABWZHMH-LBPRGKRZSA-N 2 0 244.342 1.505 20 0 BDADRP C[C@H]1C[N@H+](CC2=CCCOC2)CC[C@H]1C[NH3+] ZINC000904411263 584879057 /nfs/dbraw/zinc/87/90/57/584879057.db2.gz SZVDQIVDSLEWKE-AAEUAGOBSA-N 2 0 224.348 1.250 20 0 BDADRP C[C@@H]1CN(CC[NH2+]C(C)(C)C)CC[C@H]1C[NH3+] ZINC000904409707 584879085 /nfs/dbraw/zinc/87/90/85/584879085.db2.gz GYGROZOEHHCTPL-NEPJUHHUSA-N 2 0 227.396 1.291 20 0 BDADRP CC(C)[C@H](C[NH3+])C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000904410596 584879345 /nfs/dbraw/zinc/87/93/45/584879345.db2.gz PNOLQIMAPLSHCG-FRRDWIJNSA-N 3 0 227.396 1.134 20 0 BDADRP C[C@@]1(C[N@@H+]2CC[C@H](CC[NH3+])C2)CCC[NH2+]C1 ZINC000904407287 584879370 /nfs/dbraw/zinc/87/93/70/584879370.db2.gz SKUZCIDWLMVHEF-QWHCGFSZSA-N 3 0 225.380 1.047 20 0 BDADRP COC[C@H](C)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000904411317 584879611 /nfs/dbraw/zinc/87/96/11/584879611.db2.gz UMHHBDUGLWBDON-GRYCIOLGSA-N 2 0 214.353 1.186 20 0 BDADRP C[C@@H]1CCN[C@H](C)[C@@H]1[NH2+]CCCCCCC[NH3+] ZINC000842476778 584897814 /nfs/dbraw/zinc/89/78/14/584897814.db2.gz VKKKLURAHUVXHN-MGPQQGTHSA-N 2 0 241.423 1.872 20 0 BDADRP C[C@H](CO)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000815144949 584972900 /nfs/dbraw/zinc/97/29/00/584972900.db2.gz SMEFJXKFHXDXSE-STQMWFEESA-N 2 0 226.364 1.033 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)C2CC2)C1 ZINC000838862563 585075922 /nfs/dbraw/zinc/07/59/22/585075922.db2.gz KTBYRPWAGLWNTA-DGCLKSJQSA-N 2 0 226.364 1.031 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)C2CC2)[C@@H](C)C1 ZINC000838895417 585079395 /nfs/dbraw/zinc/07/93/95/585079395.db2.gz OHMPTSFVEULHKP-UBHSHLNASA-N 2 0 240.391 1.419 20 0 BDADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@H](O)C2CC2)CC1 ZINC000838969437 585082997 /nfs/dbraw/zinc/08/29/97/585082997.db2.gz XTWVLXZLTDSGHB-OLZOCXBDSA-N 2 0 226.364 1.173 20 0 BDADRP CCC[N@H+](C)CC(=O)N[C@@H](C[NH+](C)C)C(C)C ZINC000741215601 585111445 /nfs/dbraw/zinc/11/14/45/585111445.db2.gz IWPDQTUUSDJNHN-LBPRGKRZSA-N 2 0 243.395 1.031 20 0 BDADRP Cc1nc(C)c(C)c(NC[C@@H]2CCC[N@H+]2C)n1 ZINC000761888360 585422476 /nfs/dbraw/zinc/42/24/76/585422476.db2.gz UNSNALPWHQXRSB-LBPRGKRZSA-N 2 0 234.347 1.908 20 0 BDADRP CC[N@@H+]1C[C@H](C)N(CC[NH+]2CCCC2)C[C@H]1C ZINC000766254401 585499702 /nfs/dbraw/zinc/49/97/02/585499702.db2.gz QAAQCXOZTDBHST-KGLIPLIRSA-N 2 0 239.407 1.497 20 0 BDADRP C[C@@H]1[C@H](C)[N@H+](C)CCN1CC[NH+]1CCCC1 ZINC000771458169 585594758 /nfs/dbraw/zinc/59/47/58/585594758.db2.gz CZBPWWOVAGVOTF-QWHCGFSZSA-N 2 0 225.380 1.107 20 0 BDADRP C[N@@H+]1CCC[C@H]1CNC(=O)CCCCCC[NH3+] ZINC000224046845 585719690 /nfs/dbraw/zinc/71/96/90/585719690.db2.gz MVTSJBUEWLYBFZ-LBPRGKRZSA-N 2 0 241.379 1.106 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)CCO ZINC000779337614 585751433 /nfs/dbraw/zinc/75/14/33/585751433.db2.gz AEOXVEWNKMMYDM-OLZOCXBDSA-N 2 0 230.396 1.857 20 0 BDADRP C[C@H](CCO)[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000779342025 585751739 /nfs/dbraw/zinc/75/17/39/585751739.db2.gz QBSWFSFSVLHYCF-MGPQQGTHSA-N 2 0 242.407 1.715 20 0 BDADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)CCO)CC1 ZINC000779348509 585752342 /nfs/dbraw/zinc/75/23/42/585752342.db2.gz RGMCLJIMCPLKSR-LBPRGKRZSA-N 2 0 228.380 1.469 20 0 BDADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CCO)C1 ZINC000779393281 585753120 /nfs/dbraw/zinc/75/31/20/585753120.db2.gz RCYUWICCVGJMTL-NEPJUHHUSA-N 2 0 214.353 1.079 20 0 BDADRP CO[C@@H](C)C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000782475947 585818597 /nfs/dbraw/zinc/81/85/97/585818597.db2.gz PKKVSNRANBFUEY-NSHDSACASA-N 2 0 214.353 1.295 20 0 BDADRP C[C@@H]1CC[C@@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000783240804 585831841 /nfs/dbraw/zinc/83/18/41/585831841.db2.gz RQVMGUWTCGXSOD-KGLIPLIRSA-N 2 0 239.407 1.402 20 0 BDADRP CCCCC[N@H+](CCO)CC1CC[NH+](C)CC1 ZINC000788480898 585924847 /nfs/dbraw/zinc/92/48/47/585924847.db2.gz BWLMQBKHBSYZIR-UHFFFAOYSA-N 2 0 242.407 1.813 20 0 BDADRP C[C@@H](C[S@](C)=O)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000788490085 585925559 /nfs/dbraw/zinc/92/55/59/585925559.db2.gz XEKKSZILXCXXST-ZBEGNZNMSA-N 2 0 246.420 1.027 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cc[nH]c(=O)c1 ZINC000791135040 585974624 /nfs/dbraw/zinc/97/46/24/585974624.db2.gz HLWFYRMGRFCJQH-LLVKDONJSA-N 2 0 249.358 1.780 20 0 BDADRP CC[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000799308963 586169635 /nfs/dbraw/zinc/16/96/35/586169635.db2.gz HMNYCHOQBYGULE-FRRDWIJNSA-N 2 0 228.380 1.419 20 0 BDADRP COCC[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000815145562 586670526 /nfs/dbraw/zinc/67/05/26/586670526.db2.gz YRASEMYZGWLUPB-KBPBESRZSA-N 2 0 240.391 1.829 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CSCCS1 ZINC000817898554 586831112 /nfs/dbraw/zinc/83/11/12/586831112.db2.gz ISNKCBAHHVABKB-BBBLOLIVSA-N 2 0 232.418 1.304 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCSC(F)(F)F ZINC000817889509 586831985 /nfs/dbraw/zinc/83/19/85/586831985.db2.gz OIHFBVKVVADBAG-NKWVEPMBSA-N 2 0 228.283 1.709 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(Cl)nc1 ZINC000817891179 586832625 /nfs/dbraw/zinc/83/26/25/586832625.db2.gz HHFSJPYZBPATKY-IUCAKERBSA-N 2 0 227.739 1.950 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCOc1cccnc1 ZINC000817892245 586832901 /nfs/dbraw/zinc/83/29/01/586832901.db2.gz LRECDKHXWIZDHY-AAEUAGOBSA-N 2 0 235.331 1.177 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCOc1cccnc1 ZINC000817892248 586833188 /nfs/dbraw/zinc/83/31/88/586833188.db2.gz LRECDKHXWIZDHY-YPMHNXCESA-N 2 0 235.331 1.177 20 0 BDADRP Cc1ncc2c(n1)CCC[C@@H]2[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000817894760 586834392 /nfs/dbraw/zinc/83/43/92/586834392.db2.gz OARNFQDCTHIGMK-CWSCBRNRSA-N 2 0 248.374 1.878 20 0 BDADRP CSC(C)(C)C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000817901467 586835618 /nfs/dbraw/zinc/83/56/18/586835618.db2.gz VUVOMOJGESVGBB-OUAUKWLOSA-N 2 0 246.420 1.470 20 0 BDADRP Cc1cccc(OCCC[NH2+][C@H](C)C2C[NH2+]C2)c1 ZINC000817907802 586836731 /nfs/dbraw/zinc/83/67/31/586836731.db2.gz WRWQSICAWISNEF-CYBMUJFWSA-N 2 0 248.370 1.961 20 0 BDADRP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000817904546 586837162 /nfs/dbraw/zinc/83/71/62/586837162.db2.gz CQXKHLJDBZJSDD-BEAPCOKYSA-N 2 0 248.370 1.968 20 0 BDADRP Cc1cccc([C@H](O)C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000817909969 586837968 /nfs/dbraw/zinc/83/79/68/586837968.db2.gz FSGIDGNKZCWQTF-MBNYWOFBSA-N 2 0 236.359 1.744 20 0 BDADRP CC1(O)CCC([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000817912531 586838619 /nfs/dbraw/zinc/83/86/19/586838619.db2.gz JRZKYUGHXNFGOB-YIFLHPOLSA-N 2 0 240.391 1.930 20 0 BDADRP C[C@@H]1CCC[N@@H+]1CCN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000817914725 586838824 /nfs/dbraw/zinc/83/88/24/586838824.db2.gz YGNRHIPSVMYXOI-MGPQQGTHSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@H](Cc1ccco1)[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000817913855 586838886 /nfs/dbraw/zinc/83/88/86/586838886.db2.gz NGIDLANOKYUCIU-HBNTYKKESA-N 2 0 210.321 1.926 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@]1(O)CCc2ccccc21 ZINC000817916165 586839135 /nfs/dbraw/zinc/83/91/35/586839135.db2.gz AOHBZBWOKUJDIZ-HUBLWGQQSA-N 2 0 248.370 1.536 20 0 BDADRP [NH3+]CC1CCC([NH2+]CCCCCCO)CC1 ZINC000817919643 586840576 /nfs/dbraw/zinc/84/05/76/586840576.db2.gz WSUJTKHPHQBCTC-UHFFFAOYSA-N 2 0 228.380 1.646 20 0 BDADRP CC1(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])OCCCO1 ZINC000817926900 586841258 /nfs/dbraw/zinc/84/12/58/586841258.db2.gz WAYQYIHPIWVRLS-NWDGAFQWSA-N 2 0 242.363 1.247 20 0 BDADRP CCc1ccc([C@@H](O)C[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000817929270 586841999 /nfs/dbraw/zinc/84/19/99/586841999.db2.gz LSORZKOKMYOVRG-NHYWBVRUSA-N 2 0 248.370 1.480 20 0 BDADRP C[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817949132 586846752 /nfs/dbraw/zinc/84/67/52/586846752.db2.gz OFGXHIZOEWENAQ-IUODEOHRSA-N 2 0 248.370 1.702 20 0 BDADRP C[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)[C@@H]1CCCO1 ZINC000817948982 586847257 /nfs/dbraw/zinc/84/72/57/586847257.db2.gz MXEDJKPCPLLQNZ-DOMZBBRYSA-N 2 0 248.370 1.845 20 0 BDADRP C[C@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817950450 586847381 /nfs/dbraw/zinc/84/73/81/586847381.db2.gz YINNRKFOTDGSIL-SWLSCSKDSA-N 2 0 247.386 1.228 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCc3n[nH]cc32)C1 ZINC000817970019 586855859 /nfs/dbraw/zinc/85/58/59/586855859.db2.gz JNWAIHLIPFLACX-CKYFFXLPSA-N 2 0 234.347 1.647 20 0 BDADRP c1[nH]nc2c1[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)CCC2 ZINC000817969577 586856278 /nfs/dbraw/zinc/85/62/78/586856278.db2.gz XNONIJHGGMOTCW-JQWIXIFHSA-N 2 0 234.347 1.519 20 0 BDADRP Cc1cc([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)n(C)n1 ZINC000817970159 586857429 /nfs/dbraw/zinc/85/74/29/586857429.db2.gz MTMLYCUIBBEXTR-TUAOUCFPSA-N 2 0 236.363 1.649 20 0 BDADRP C1CC1[C@H]1CC[C@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000817976769 586859880 /nfs/dbraw/zinc/85/98/80/586859880.db2.gz SXGZYGMOROEYJO-UPJWGTAASA-N 2 0 220.360 1.907 20 0 BDADRP CCn1nc(C)c(C[NH2+][C@@H](C)CCCC[NH3+])n1 ZINC000818615831 586906293 /nfs/dbraw/zinc/90/62/93/586906293.db2.gz RIWYPSBKMACNQT-JTQLQIEISA-N 2 0 239.367 1.214 20 0 BDADRP CCC[NH+]1CCC(C[NH2+]C[C@H](O)C2CC2)CC1 ZINC000818990923 586919992 /nfs/dbraw/zinc/91/99/92/586919992.db2.gz SOUGCZJXJCONJT-AWEZNQCLSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCCCN1CCO ZINC000824582983 587278056 /nfs/dbraw/zinc/27/80/56/587278056.db2.gz GLWKDGJMXGTBBE-JHJVBQTASA-N 2 0 226.364 1.221 20 0 BDADRP [NH3+]CCCCCCC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000832458029 587661251 /nfs/dbraw/zinc/66/12/51/587661251.db2.gz ARIVBSRMQRIDGS-GFCCVEGCSA-N 2 0 241.379 1.093 20 0 BDADRP C[C@@H](NC(=O)CCCCC[NH3+])[C@H]1CCC[NH2+]C1 ZINC000832498447 587663719 /nfs/dbraw/zinc/66/37/19/587663719.db2.gz ZUXSQRQWIJBILZ-NEPJUHHUSA-N 2 0 241.379 1.010 20 0 BDADRP C[C@H](NC(=O)CCCCC[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000832498448 587663772 /nfs/dbraw/zinc/66/37/72/587663772.db2.gz ZUXSQRQWIJBILZ-NWDGAFQWSA-N 2 0 241.379 1.010 20 0 BDADRP CC[C@@H]1CN(C(=O)CCCCC[NH3+])CC[C@H]1[NH3+] ZINC000834646216 587762559 /nfs/dbraw/zinc/76/25/59/587762559.db2.gz AQNOPRPRZUPUAK-VXGBXAGGSA-N 2 0 241.379 1.091 20 0 BDADRP [NH3+]CCC[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000841004976 587935055 /nfs/dbraw/zinc/93/50/55/587935055.db2.gz VAEYQYGSMALEQP-OAHLLOKOSA-N 2 0 248.370 1.781 20 0 BDADRP CN1CCC([NH2+]Cc2ccc(CC[NH3+])cc2)CC1 ZINC000841032805 587936865 /nfs/dbraw/zinc/93/68/65/587936865.db2.gz YPGHVZCFYKPEFS-UHFFFAOYSA-N 2 0 247.386 1.372 20 0 BDADRP [NH3+]CCC[C@@H]([NH2+][C@@H]1CCOC1)c1ccccc1 ZINC000841087196 587945456 /nfs/dbraw/zinc/94/54/56/587945456.db2.gz PNFPDQMRTHLFHC-ZIAGYGMSSA-N 2 0 234.343 1.845 20 0 BDADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cccnc2Cl)C1 ZINC000841084438 587945849 /nfs/dbraw/zinc/94/58/49/587945849.db2.gz JKMHMTKHZBBIIL-KOLCDFICSA-N 2 0 239.750 1.952 20 0 BDADRP [NH3+]CCCCCCC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000841850717 587978358 /nfs/dbraw/zinc/97/83/58/587978358.db2.gz DWBYEEXPLJQJEV-GFCCVEGCSA-N 2 0 241.379 1.154 20 0 BDADRP CC(C)[N@H+](CCCCCCC[NH3+])CC(N)=O ZINC000842471707 588029361 /nfs/dbraw/zinc/02/93/61/588029361.db2.gz UIYCIDRCQRZPNG-UHFFFAOYSA-N 2 0 229.368 1.091 20 0 BDADRP [NH3+]CCCCCCCN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000842472973 588029420 /nfs/dbraw/zinc/02/94/20/588029420.db2.gz NVRRQZLDPIDEOO-OLZOCXBDSA-N 3 0 225.380 1.189 20 0 BDADRP CC[C@](C)(CC(=O)OC)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000842478924 588029789 /nfs/dbraw/zinc/02/97/89/588029789.db2.gz RFYMOZBDFOCAON-DGCLKSJQSA-N 2 0 242.363 1.307 20 0 BDADRP [NH3+]CCCCCCc1nc([C@H]2CCC[NH2+]2)no1 ZINC000842642429 588047990 /nfs/dbraw/zinc/04/79/90/588047990.db2.gz DVAMUOZXCHVKIE-SNVBAGLBSA-N 2 0 238.335 1.556 20 0 BDADRP CCn1nccc1C[NH2+]CCCCCC[NH3+] ZINC000843127079 588084717 /nfs/dbraw/zinc/08/47/17/588084717.db2.gz MZDOVOMVZWGWIE-UHFFFAOYSA-N 2 0 224.352 1.512 20 0 BDADRP Cn1ccnc1C[NH2+]CCCCCC[NH3+] ZINC000843127588 588085294 /nfs/dbraw/zinc/08/52/94/588085294.db2.gz QLLIJPGYUZKWOE-UHFFFAOYSA-N 2 0 210.325 1.029 20 0 BDADRP [NH3+]CCCCCC[NH2+]C1CCC([NH3+])CC1 ZINC000843130148 588085510 /nfs/dbraw/zinc/08/55/10/588085510.db2.gz YULIMACTZDOCPS-UHFFFAOYSA-N 3 0 213.369 1.365 20 0 BDADRP Cc1cn[nH]c1C[NH2+]CCCCCC[NH3+] ZINC000843130176 588085633 /nfs/dbraw/zinc/08/56/33/588085633.db2.gz ZJMOASYECLLBJY-UHFFFAOYSA-N 2 0 210.325 1.327 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+]CCCCCC[NH3+] ZINC000843129916 588085686 /nfs/dbraw/zinc/08/56/86/588085686.db2.gz UKPNIEUJKBERAL-LBPRGKRZSA-N 3 0 215.385 1.469 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCCCCC[NH3+])CCO1 ZINC000843342210 588101016 /nfs/dbraw/zinc/10/10/16/588101016.db2.gz ONFDIIAVHMSOOW-NEPJUHHUSA-N 2 0 214.353 1.663 20 0 BDADRP CCc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)[nH]n1 ZINC000843342216 588101154 /nfs/dbraw/zinc/10/11/54/588101154.db2.gz KSGRMPYULRPMII-GMXVVIOVSA-N 2 0 248.374 1.450 20 0 BDADRP [NH3+]CCCCCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000843344055 588101467 /nfs/dbraw/zinc/10/14/67/588101467.db2.gz OHKSZWIFCFWDCJ-VXGBXAGGSA-N 3 0 213.369 1.223 20 0 BDADRP [NH3+]CCCCCC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000843343653 588101577 /nfs/dbraw/zinc/10/15/77/588101577.db2.gz BUVJLDHPQDCFQB-CHWSQXEVSA-N 3 0 227.396 1.755 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCCCCC[NH3+] ZINC000843344311 588101951 /nfs/dbraw/zinc/10/19/51/588101951.db2.gz VCWUSZXJDJFULE-WDEREUQCSA-N 3 0 201.358 1.221 20 0 BDADRP CCCCOC(=O)CC[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000843353968 588103247 /nfs/dbraw/zinc/10/32/47/588103247.db2.gz SXMAKQMLIWACCH-NEPJUHHUSA-N 2 0 242.363 1.389 20 0 BDADRP C[C@@H]1C[N@H+](CCCCCCC[NH3+])CC[C@H]1[NH3+] ZINC000843354286 588103312 /nfs/dbraw/zinc/10/33/12/588103312.db2.gz XNYIWZODGKSEAZ-CHWSQXEVSA-N 3 0 227.396 1.565 20 0 BDADRP CC(C)([NH3+])CCC(=O)NCCCCCC[NH3+] ZINC000843505774 588117476 /nfs/dbraw/zinc/11/74/76/588117476.db2.gz MTTOKNSIKHQXFW-UHFFFAOYSA-N 2 0 229.368 1.139 20 0 BDADRP CC(C)[C@H](C(=O)NCCCCCC[NH3+])[C@H](C)[NH3+] ZINC000843511992 588117629 /nfs/dbraw/zinc/11/76/29/588117629.db2.gz UDTRYXLXSUWNPT-RYUDHWBXSA-N 2 0 243.395 1.241 20 0 BDADRP [NH3+]CC1(CC[NH2+][C@H]2CC[C@@H]2C2CC2)CC1 ZINC000844919260 588219130 /nfs/dbraw/zinc/21/91/30/588219130.db2.gz DAXTXBGEVDHWKN-NEPJUHHUSA-N 2 0 208.349 1.894 20 0 BDADRP C[C@H]1C[N@H+](CCCCCC[NH3+])CC[C@@H]1[NH3+] ZINC000846217706 588260285 /nfs/dbraw/zinc/26/02/85/588260285.db2.gz MMLLYFWTFRKPJX-RYUDHWBXSA-N 2 0 213.369 1.175 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](CCCCCC[NH3+])C1 ZINC000846213896 588260403 /nfs/dbraw/zinc/26/04/03/588260403.db2.gz DMRZKGIFNRUGNA-ZDUSSCGKSA-N 3 0 227.396 1.437 20 0 BDADRP C[C@@H](N)[C@H]1CCCC[N@@H+]1CCCCCC[NH3+] ZINC000846216093 588260432 /nfs/dbraw/zinc/26/04/32/588260432.db2.gz PKLFURDOLLNKRR-CHWSQXEVSA-N 2 0 227.396 1.707 20 0 BDADRP Cl/C=C/C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000846219671 588260689 /nfs/dbraw/zinc/26/06/89/588260689.db2.gz FAIBVDXYDUNICG-ORCRQEGFSA-N 2 0 214.740 1.814 20 0 BDADRP [NH3+]CCCCCCN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000846220420 588261225 /nfs/dbraw/zinc/26/12/25/588261225.db2.gz OSAZWKIGMDRBRT-ZDUSSCGKSA-N 2 0 225.380 1.332 20 0 BDADRP C[C@@]1(F)C[NH2+]CCN(CCCCCC[NH3+])C1 ZINC000846221271 588261341 /nfs/dbraw/zinc/26/13/41/588261341.db2.gz WEADUICWYWTRQK-GFCCVEGCSA-N 3 0 231.359 1.139 20 0 BDADRP [NH3+]CCCCCC(=O)NCCC1CC[NH2+]CC1 ZINC000846700396 588283365 /nfs/dbraw/zinc/28/33/65/588283365.db2.gz CLUUIEMAMMGMJP-UHFFFAOYSA-N 2 0 241.379 1.011 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCOc2cccnc2)C1 ZINC000848718120 588407943 /nfs/dbraw/zinc/40/79/43/588407943.db2.gz YHRSMEYSTGSOCU-NEPJUHHUSA-N 2 0 235.331 1.320 20 0 BDADRP [NH3+]CCCCCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000848714632 588408134 /nfs/dbraw/zinc/40/81/34/588408134.db2.gz RVKDIJYUOFSDPP-RYUDHWBXSA-N 3 0 213.369 1.365 20 0 BDADRP CC[C@H](C)NC(=[NH2+])NCC1([NH+](C)C)CCCC1 ZINC000848981278 588423557 /nfs/dbraw/zinc/42/35/57/588423557.db2.gz PIYJHHLVYDOFGR-NSHDSACASA-N 2 0 240.395 1.773 20 0 BDADRP CC[C@@H](C)[N@@H+](C)CCNC(=[NH2+])N[C@@H](C)CC ZINC000849000982 588430746 /nfs/dbraw/zinc/43/07/46/588430746.db2.gz KRAUVPAJIOJJRL-WDEREUQCSA-N 2 0 228.384 1.629 20 0 BDADRP CC[N@H+](CCNC(=[NH2+])NC1CCC1)C(C)C ZINC000849001016 588430995 /nfs/dbraw/zinc/43/09/95/588430995.db2.gz PEEHXYMYJMXUOD-UHFFFAOYSA-N 2 0 226.368 1.383 20 0 BDADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC[C@@H](C)F ZINC000849033600 588443943 /nfs/dbraw/zinc/44/39/43/588443943.db2.gz RHCFKFGDTJMLKO-MNOVXSKESA-N 2 0 244.358 1.333 20 0 BDADRP CC(C)C[N@H+](C)CCCNC(=[NH2+])N(C)C1CC1 ZINC000849046884 588450196 /nfs/dbraw/zinc/45/01/96/588450196.db2.gz MSBXWMYAGXPMFC-UHFFFAOYSA-N 2 0 240.395 1.583 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](CNC(=[NH2+])N2CCCCC2)C1 ZINC000849048512 588450898 /nfs/dbraw/zinc/45/08/98/588450898.db2.gz IHGGHVSYVIFZAU-TXEJJXNPSA-N 2 0 238.379 1.337 20 0 BDADRP CC(C)(C)N1CC[C@H]1C[NH2+]C[C@H](O)C1CC1 ZINC000849325158 588472553 /nfs/dbraw/zinc/47/25/53/588472553.db2.gz CLDBXVAMGSZDCV-RYUDHWBXSA-N 2 0 226.364 1.220 20 0 BDADRP Cc1ncc(C[NH2+][C@H](C)c2ccc[nH]2)n1C ZINC000850228604 588530761 /nfs/dbraw/zinc/53/07/61/588530761.db2.gz IBEYRUYBHFWESD-SECBINFHSA-N 2 0 218.304 1.907 20 0 BDADRP C[N@@H+]1CC[C@@]2(C1)CCCN(CCOC(F)F)C2 ZINC000852108282 588664033 /nfs/dbraw/zinc/66/40/33/588664033.db2.gz ZJLSEGNUOUCHKQ-GFCCVEGCSA-N 2 0 248.317 1.643 20 0 BDADRP CC[N@@H+]1CCCN(CC[NH+]2CCCC2)[C@@H](C)C1 ZINC000852165964 588668694 /nfs/dbraw/zinc/66/86/94/588668694.db2.gz NPJVCJHOCIGVDH-AWEZNQCLSA-N 2 0 239.407 1.498 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](CCOC(F)F)CC1 ZINC000852743809 588699190 /nfs/dbraw/zinc/69/91/90/588699190.db2.gz KPIYASUHGQOZKJ-MRVPVSSYSA-N 2 0 222.279 1.285 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCOC(F)F)C[C@H]21 ZINC000852746629 588699266 /nfs/dbraw/zinc/69/92/66/588699266.db2.gz MUWRXALALMMDTH-IVZWLZJFSA-N 2 0 234.290 1.285 20 0 BDADRP CO[C@H](CN1CC[C@@H]2C[NH2+]C[C@@H]21)C1CCC1 ZINC000852750148 588699851 /nfs/dbraw/zinc/69/98/51/588699851.db2.gz WSZGCEJTNDUQCU-FRRDWIJNSA-N 2 0 224.348 1.095 20 0 BDADRP Cc1ccc(NC(=O)C=C2CC[NH2+]CC2)c(C)n1 ZINC000852860515 588709064 /nfs/dbraw/zinc/70/90/64/588709064.db2.gz FMYHCTXEUVXTDO-UHFFFAOYSA-N 2 0 245.326 1.947 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C[C@H]1CCO[C@@H](CC)C1 ZINC000863482079 589292439 /nfs/dbraw/zinc/29/24/39/589292439.db2.gz RPVSJLPPUJFTSJ-XDQVBPFNSA-N 2 0 240.391 1.922 20 0 BDADRP CC(C)[C@H]1CC[C@@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000863540749 589296444 /nfs/dbraw/zinc/29/64/44/589296444.db2.gz HOIHJSMQMNVVTD-NEPJUHHUSA-N 2 0 226.364 1.519 20 0 BDADRP [NH3+]C1(C[NH2+][C@H]2CC[C@H]2C2CC2)CCOCC1 ZINC000863541309 589296961 /nfs/dbraw/zinc/29/69/61/589296961.db2.gz KGWCZDUBZJPUDO-RYUDHWBXSA-N 2 0 224.348 1.273 20 0 BDADRP CO[C@@H](CN(C)C[C@H](C)[NH3+])C1CCCCC1 ZINC000863568383 589300234 /nfs/dbraw/zinc/30/02/34/589300234.db2.gz KFZMKKKKDMRVGU-AAEUAGOBSA-N 2 0 228.380 1.861 20 0 BDADRP CCC(CC)NC(=[NH2+])NC[C@@H]1CC[N@H+](C)C1 ZINC000864450985 589364780 /nfs/dbraw/zinc/36/47/80/589364780.db2.gz FPTJNNQKDFKXSB-JTQLQIEISA-N 2 0 226.368 1.241 20 0 BDADRP CC[C@H]1CCN(C(=[NH2+])NCC[NH+](CC)CC)C1 ZINC000864451438 589364813 /nfs/dbraw/zinc/36/48/13/589364813.db2.gz GQBSFNRKSUPXJE-LBPRGKRZSA-N 2 0 240.395 1.584 20 0 BDADRP CC[NH+](CC)CCCNC(=[NH2+])N[C@H]1C[C@@H]1C ZINC000864451544 589364961 /nfs/dbraw/zinc/36/49/61/589364961.db2.gz HLXNGOSGEJQVLR-QWRGUYRKSA-N 2 0 226.368 1.241 20 0 BDADRP CCC(CC)NC(=[NH2+])NCCCC[NH+](C)C ZINC000864451961 589365300 /nfs/dbraw/zinc/36/53/00/589365300.db2.gz KBYOBXDRSHRLPX-UHFFFAOYSA-N 2 0 228.384 1.631 20 0 BDADRP CC[C@H]1CCN(C(=[NH2+])NCCCC[NH+](C)C)C1 ZINC000864453766 589365982 /nfs/dbraw/zinc/36/59/82/589365982.db2.gz ZPXVDKZSPBOFRL-LBPRGKRZSA-N 2 0 240.395 1.584 20 0 BDADRP C[C@@H](CNC(=[NH2+])NCCC1CC1)[NH+]1CCCC1 ZINC000864453327 589366232 /nfs/dbraw/zinc/36/62/32/589366232.db2.gz MMMVAWXWCVCZGW-NSHDSACASA-N 2 0 238.379 1.385 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](CNC(=[NH2+])N[C@@H]2C[C@H]2C)C1 ZINC000864455267 589366502 /nfs/dbraw/zinc/36/65/02/589366502.db2.gz LIXWZUDFJMJRGE-GRYCIOLGSA-N 2 0 238.379 1.239 20 0 BDADRP CC[C@H]1CCN(C(=[NH2+])NCC[N@H+](C)C(C)C)C1 ZINC000864456700 589367257 /nfs/dbraw/zinc/36/72/57/589367257.db2.gz KAVCYPVGOCEFKS-LBPRGKRZSA-N 2 0 240.395 1.583 20 0 BDADRP CCC(CC)NC(=[NH2+])NCC[NH2+]C(C)(C)C ZINC000864458826 589368408 /nfs/dbraw/zinc/36/84/08/589368408.db2.gz UHDPWXMBLWKXSC-UHFFFAOYSA-N 2 0 228.384 1.677 20 0 BDADRP CCCC[N@H+](C)CCNC(=[NH2+])N[C@@H]1C[C@H]1C ZINC000864459035 589368462 /nfs/dbraw/zinc/36/84/62/589368462.db2.gz YQKKUTWCVPOOCY-GHMZBOCLSA-N 2 0 226.368 1.241 20 0 BDADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)CCO)CC1 ZINC000866468017 589495003 /nfs/dbraw/zinc/49/50/03/589495003.db2.gz XNDUFCDQVRYPQI-CYBMUJFWSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@@H]([NH3+])CN(C)Cc1cccc2c1CCOC2 ZINC000866668022 589510220 /nfs/dbraw/zinc/51/02/20/589510220.db2.gz GPVWFFDRAHUXBC-LLVKDONJSA-N 2 0 234.343 1.538 20 0 BDADRP C[C@@H]1C[N@H+](CCCCCC[NH3+])C[C@H]1C[NH3+] ZINC000866671944 589510735 /nfs/dbraw/zinc/51/07/35/589510735.db2.gz DDHBRFPIGHWRQX-VXGBXAGGSA-N 3 0 213.369 1.032 20 0 BDADRP C[NH2+]CCCN1CCOc2cc(N)ccc2C1 ZINC000866689519 589512299 /nfs/dbraw/zinc/51/22/99/589512299.db2.gz KCELTODGQBLQNN-UHFFFAOYSA-N 2 0 235.331 1.073 20 0 BDADRP CC1(C)[C@H]([NH3+])c2ccccc2N1CCC[NH3+] ZINC000866701250 589512913 /nfs/dbraw/zinc/51/29/13/589512913.db2.gz GXTAGMZSIFUPHA-GFCCVEGCSA-N 2 0 219.332 1.634 20 0 BDADRP CC1(C)C[C@@H](O)C[N@H+](CCCCCC[NH3+])C1 ZINC000866703002 589513454 /nfs/dbraw/zinc/51/34/54/589513454.db2.gz IFIILFOMKDNOPO-GFCCVEGCSA-N 2 0 228.380 1.598 20 0 BDADRP CC1(C)[C@@H]([NH3+])c2ccccc2N1CCOCC[NH3+] ZINC000866701916 589513490 /nfs/dbraw/zinc/51/34/90/589513490.db2.gz RJEHWDKBNHQCSD-ZDUSSCGKSA-N 2 0 249.358 1.260 20 0 BDADRP C[N@@H+]1CC[C@@H]2CN(CC3CC[NH2+]CC3)CC[C@H]21 ZINC000866704571 589513558 /nfs/dbraw/zinc/51/35/58/589513558.db2.gz WIOFOLYBUMKIMO-ZIAGYGMSSA-N 2 0 237.391 1.012 20 0 BDADRP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc(N)c3)CC[C@@H]21 ZINC000866703719 589513617 /nfs/dbraw/zinc/51/36/17/589513617.db2.gz KTYGXBKQAHCKKH-ZFWWWQNUSA-N 2 0 245.370 1.795 20 0 BDADRP CC1(C)C[C@@H](O)C[N@H+](CC2CC[NH2+]CC2)C1 ZINC000866702484 589513736 /nfs/dbraw/zinc/51/37/36/589513736.db2.gz CAFBNQFZRXTFSC-GFCCVEGCSA-N 2 0 226.364 1.079 20 0 BDADRP CC1(C)C[C@@H](O)C[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000866702609 589513914 /nfs/dbraw/zinc/51/39/14/589513914.db2.gz DAFFQPRMVUBZLR-CHWSQXEVSA-N 2 0 240.391 1.469 20 0 BDADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](C[C@@H]2CCOC2)C1 ZINC000866707188 589514263 /nfs/dbraw/zinc/51/42/63/589514263.db2.gz SYZIWFPUEFUQEZ-GXTWGEPZSA-N 2 0 240.391 1.720 20 0 BDADRP C(CN1CCC[C@@H]2[NH2+]CC[C@H]21)C1CC[NH2+]CC1 ZINC000866724129 589515832 /nfs/dbraw/zinc/51/58/32/589515832.db2.gz INEYSXRDZHVCIA-UONOGXRCSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@@H]1C[N@H+](CCCCCC[NH3+])CCS1 ZINC000123467560 589719983 /nfs/dbraw/zinc/71/99/83/589719983.db2.gz NPXLNKUGTGQOIX-LLVKDONJSA-N 2 0 216.394 1.943 20 0 BDADRP C[NH2+][C@@H](C)Cc1noc([C@H]2CC[C@@H]([NH3+])CC2)n1 ZINC000871789167 589819085 /nfs/dbraw/zinc/81/90/85/589819085.db2.gz RAZRZIMKPBAQOL-LPEHRKFASA-N 2 0 238.335 1.205 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2C[C@H](O)C2)[C@@H](C)C1 ZINC000872125735 589875361 /nfs/dbraw/zinc/87/53/61/589875361.db2.gz CKMKAZWPJCMZFG-CYDGBPFRSA-N 2 0 226.364 1.077 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000872141315 589881752 /nfs/dbraw/zinc/88/17/52/589881752.db2.gz DIDQWGZZLAJVSD-QWHCGFSZSA-N 2 0 238.375 1.487 20 0 BDADRP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000872141814 589882168 /nfs/dbraw/zinc/88/21/68/589882168.db2.gz URENPENCVXGHOE-QWHCGFSZSA-N 2 0 240.391 1.909 20 0 BDADRP [NH3+]C1(C[NH2+]C[C@H]2CC3(CCC3)CO2)CCC1 ZINC000872142965 589883586 /nfs/dbraw/zinc/88/35/86/589883586.db2.gz GNCMNTRMBIPPGS-LLVKDONJSA-N 2 0 224.348 1.417 20 0 BDADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCCc1ccncc1)C2 ZINC000872154208 589886109 /nfs/dbraw/zinc/88/61/09/589886109.db2.gz NQYAUUUJWODCHM-LSDHHAIUSA-N 2 0 245.370 1.556 20 0 BDADRP C[N@H+](CCCCCC[NH3+])C[C@@H]1CCC[NH2+]C1 ZINC000872154937 589886363 /nfs/dbraw/zinc/88/63/63/589886363.db2.gz FXVRGHRNXGMSMU-CYBMUJFWSA-N 3 0 227.396 1.437 20 0 BDADRP CC[C@@H](O)C[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000872223180 589896730 /nfs/dbraw/zinc/89/67/30/589896730.db2.gz NDMJGKAGZWUZCQ-CQSZACIVSA-N 2 0 242.407 1.857 20 0 BDADRP COC[C@H](C)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000872254222 589901612 /nfs/dbraw/zinc/90/16/12/589901612.db2.gz WTYTWINQIIUHQR-WDEREUQCSA-N 2 0 214.353 1.389 20 0 BDADRP CC(C)([NH3+])CCC(=O)N1CC[NH2+]CCC1(C)C ZINC000872290647 589906397 /nfs/dbraw/zinc/90/63/97/589906397.db2.gz WYNXKCSLTOYQGN-UHFFFAOYSA-N 2 0 241.379 1.104 20 0 BDADRP C[NH+](C)CC(C)(C)CNC(=O)CCCCC[NH3+] ZINC000019473738 589930101 /nfs/dbraw/zinc/93/01/01/589930101.db2.gz ULTCIGVTEPWOAC-UHFFFAOYSA-N 2 0 243.395 1.210 20 0 BDADRP C[C@H]1CCCN(Cc2cnc(N)cn2)[C@@H]1CC[NH3+] ZINC000873213563 589997049 /nfs/dbraw/zinc/99/70/49/589997049.db2.gz HTDIMQYGWIQZHT-CMPLNLGQSA-N 2 0 249.362 1.008 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CC[NH2+][C@H](C)C1)C1CC[NH2+]CC1 ZINC000873219879 589998841 /nfs/dbraw/zinc/99/88/41/589998841.db2.gz GWKWTCJMOSUYBN-AGIUHOORSA-N 3 0 239.407 1.352 20 0 BDADRP [NH3+]C1CCC([NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)CC1 ZINC000873218184 589998936 /nfs/dbraw/zinc/99/89/36/589998936.db2.gz YWUGCTABZJQWHG-RMYICLKCSA-N 2 0 236.359 1.269 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)C1CC[NH2+]CC1 ZINC000873220104 589998960 /nfs/dbraw/zinc/99/89/60/589998960.db2.gz JJWYPPGYZLKSOH-WXHSDQCUSA-N 3 0 225.380 1.234 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)C1CC[NH2+]CC1 ZINC000873220691 589999050 /nfs/dbraw/zinc/99/90/50/589999050.db2.gz RIBFEMFVJCNJEI-YPMHNXCESA-N 3 0 225.380 1.106 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)C1CC[NH2+]CC1 ZINC000873219883 589999103 /nfs/dbraw/zinc/99/91/03/589999103.db2.gz GWKWTCJMOSUYBN-JHJVBQTASA-N 3 0 239.407 1.352 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccnc(F)c2)C1 ZINC000873240575 590005126 /nfs/dbraw/zinc/00/51/26/590005126.db2.gz BMKWGQVYYGKKKN-MNOVXSKESA-N 2 0 223.295 1.580 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccnc(F)c1 ZINC000873243145 590006825 /nfs/dbraw/zinc/00/68/25/590006825.db2.gz VLRMKHOFQDFJFL-SNVBAGLBSA-N 2 0 225.311 1.828 20 0 BDADRP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cn1 ZINC000873248535 590007409 /nfs/dbraw/zinc/00/74/09/590007409.db2.gz BVFYUZWIPPBPEC-RTXFEEFZSA-N 2 0 249.358 1.348 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000873248887 590007452 /nfs/dbraw/zinc/00/74/52/590007452.db2.gz GKZVLXXSHXNQHM-BIMULSAOSA-N 2 0 208.349 1.892 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C12CCC2 ZINC000873252862 590008885 /nfs/dbraw/zinc/00/88/85/590008885.db2.gz WRFUGSVMDDKZNJ-QNWHQSFQSA-N 2 0 238.375 1.661 20 0 BDADRP Cc1ccncc1[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873252676 590009165 /nfs/dbraw/zinc/00/91/65/590009165.db2.gz VDXKDWSMZZTSSV-UTUOFQBUSA-N 2 0 219.332 1.778 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)C1CCSCC1 ZINC000873251583 590009243 /nfs/dbraw/zinc/00/92/43/590009243.db2.gz WPHFUBJGJHCNLQ-JBLDHEPKSA-N 2 0 228.405 1.845 20 0 BDADRP COC1CCC([NH2+]C[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000873255864 590010948 /nfs/dbraw/zinc/01/09/48/590010948.db2.gz JEZOHAMTTAUJQG-LXHRWSGQSA-N 2 0 212.337 1.271 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000873256048 590010967 /nfs/dbraw/zinc/01/09/67/590010967.db2.gz LQOFYXHLGHROHE-TXEJJXNPSA-N 3 0 225.380 1.186 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cnn(C)c1 ZINC000873256375 590011580 /nfs/dbraw/zinc/01/15/80/590011580.db2.gz OEYQELWVDJXUAG-DLOVCJGASA-N 2 0 222.336 1.198 20 0 BDADRP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873257341 590012593 /nfs/dbraw/zinc/01/25/93/590012593.db2.gz GXILHBQUBHAMIM-LSJOCFKGSA-N 2 0 222.336 1.116 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccnn1C ZINC000873260998 590013345 /nfs/dbraw/zinc/01/33/45/590013345.db2.gz KARARZYXONWFTE-FVCCEPFGSA-N 2 0 248.374 1.601 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccn(C)n1 ZINC000873260546 590013739 /nfs/dbraw/zinc/01/37/39/590013739.db2.gz CPZVKNXNISGNJE-FVCCEPFGSA-N 2 0 248.374 1.601 20 0 BDADRP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873263510 590014478 /nfs/dbraw/zinc/01/44/78/590014478.db2.gz IRYXDIKZUGSWNL-FOUMNBMASA-N 2 0 248.374 1.899 20 0 BDADRP C[C@H](CCCCO)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873264472 590015069 /nfs/dbraw/zinc/01/50/69/590015069.db2.gz QEQJFMQNBFIBSS-YIYPIFLZSA-N 2 0 240.391 1.658 20 0 BDADRP C[C@@H](CCCCO)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873264471 590015138 /nfs/dbraw/zinc/01/51/38/590015138.db2.gz QEQJFMQNBFIBSS-FQUUOJAGSA-N 2 0 240.391 1.658 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)C1CC[NH2+]CC1 ZINC000873269590 590015296 /nfs/dbraw/zinc/01/52/96/590015296.db2.gz IFYDKCZDRMXBAK-NTZNESFSSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000873269104 590015467 /nfs/dbraw/zinc/01/54/67/590015467.db2.gz LWKMFYRSOSEMJU-WZRBSPASSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])C1CC[NH2+]CC1 ZINC000873269564 590015735 /nfs/dbraw/zinc/01/57/35/590015735.db2.gz IBKPKSOZOPUROZ-MRVWCRGKSA-N 3 0 239.407 1.482 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCC[C@H]1C[NH3+])C1CC[NH2+]CC1 ZINC000873270425 590015979 /nfs/dbraw/zinc/01/59/79/590015979.db2.gz UCGHNTSLTYOEEI-KGYLQXTDSA-N 3 0 225.380 1.092 20 0 BDADRP Cc1n[nH]cc1[C@H](C)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873270880 590016207 /nfs/dbraw/zinc/01/62/07/590016207.db2.gz BXLVAHGPSYUFJG-UWVGGRQHSA-N 2 0 236.363 1.757 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCC[C@H]1CCOC1=O ZINC000873282258 590018705 /nfs/dbraw/zinc/01/87/05/590018705.db2.gz GPRYQPFWHLBSIS-SDDRHHMPSA-N 2 0 240.347 1.047 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC000873282956 590019393 /nfs/dbraw/zinc/01/93/93/590019393.db2.gz XQPHJPDBIRYQMD-DCAQKATOSA-N 2 0 214.353 1.517 20 0 BDADRP CC(C)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291622 590023344 /nfs/dbraw/zinc/02/33/44/590023344.db2.gz LVDULOWBJBTMEF-NSHDSACASA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(N)cc(F)c1 ZINC000873291554 590023562 /nfs/dbraw/zinc/02/35/62/590023562.db2.gz XDHUCYNGWIJOIO-IUCAKERBSA-N 2 0 225.311 1.623 20 0 BDADRP Cc1cnccc1NC(=O)C=C[C@@H]1CCC[NH2+]C1 ZINC000876753766 590238308 /nfs/dbraw/zinc/23/83/08/590238308.db2.gz OCAPLBRRSBYQDS-ITKZLYELSA-N 2 0 245.326 1.306 20 0 BDADRP Cc1cc(C)cc(CC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000876818189 590246142 /nfs/dbraw/zinc/24/61/42/590246142.db2.gz REVRODDNIPBYQI-HOTGVXAUSA-N 2 0 244.382 1.997 20 0 BDADRP CC[NH2+][C@@H](C)C(=O)N1CCC[C@@H]1c1ncc[nH]1 ZINC000876903748 590255702 /nfs/dbraw/zinc/25/57/02/590255702.db2.gz PDPMZQMIPXPMNC-VHSXEESVSA-N 2 0 236.319 1.071 20 0 BDADRP CC[NH2+]CC(=O)N1CCCc2cccc(C[NH3+])c21 ZINC000877018238 590269525 /nfs/dbraw/zinc/26/95/25/590269525.db2.gz UDWJCOQYKGHPTD-UHFFFAOYSA-N 2 0 247.342 1.034 20 0 BDADRP [NH3+]CCCCCC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000877126880 590290104 /nfs/dbraw/zinc/29/01/04/590290104.db2.gz VDXLFCBMCBKALP-LBPRGKRZSA-N 2 0 241.379 1.235 20 0 BDADRP C[NH2+][C@@H](C)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877137957 590290928 /nfs/dbraw/zinc/29/09/28/590290928.db2.gz LLTAMLFXIMDFAL-KPXOXKRLSA-N 2 0 233.315 1.048 20 0 BDADRP CC(C)([NH3+])CC(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000877157923 590293784 /nfs/dbraw/zinc/29/37/84/590293784.db2.gz LRASFJCUEFLYOF-SNVBAGLBSA-N 2 0 241.379 1.008 20 0 BDADRP [NH3+]CCCCCCC(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000877291720 590307790 /nfs/dbraw/zinc/30/77/90/590307790.db2.gz MAGPMGDTFVGYNL-HAQNSBGRSA-N 2 0 241.379 1.282 20 0 BDADRP CN(CCCCCC[NH3+])C(=O)CC1(C[NH3+])CC1 ZINC000877437856 590328262 /nfs/dbraw/zinc/32/82/62/590328262.db2.gz ZAWRDJMQJOOTPY-UHFFFAOYSA-N 2 0 241.379 1.093 20 0 BDADRP C[C@H]1C[C@@H]1C[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000877665406 590388662 /nfs/dbraw/zinc/38/86/62/590388662.db2.gz UNYYGVHGJHWRFC-TUAOUCFPSA-N 2 0 226.364 1.077 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCCCO3)CC[C@H]21 ZINC000877742079 590409380 /nfs/dbraw/zinc/40/93/80/590409380.db2.gz OKONTYMDENYIAI-HZSPNIEDSA-N 2 0 238.375 1.582 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)C1 ZINC000878513254 590584018 /nfs/dbraw/zinc/58/40/18/590584018.db2.gz YNSZZJIIYHCXKD-MELADBBJSA-N 2 0 240.391 1.828 20 0 BDADRP CC[N@@H+]1CC[C@@H]1CNC(=O)Nc1ccnc(C)c1 ZINC000879071495 590691479 /nfs/dbraw/zinc/69/14/79/590691479.db2.gz UMHNMBMMZATTEP-GFCCVEGCSA-N 2 0 248.330 1.028 20 0 BDADRP CO[C@@H]1CC[C@@H](C)[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000879320217 590740756 /nfs/dbraw/zinc/74/07/56/590740756.db2.gz DPWBIFKQQQMUKW-MGPQQGTHSA-N 2 0 240.391 1.970 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](CCC(C)(C)O)CC[C@H]21 ZINC000879573995 590800081 /nfs/dbraw/zinc/80/00/81/590800081.db2.gz VJZRZARIKPKRBS-VXGBXAGGSA-N 2 0 226.364 1.173 20 0 BDADRP C[N@@H+]1CC[C@H]2C[NH+](CCCn3ccnc3)CC[C@@H]21 ZINC000879577841 590812678 /nfs/dbraw/zinc/81/26/78/590812678.db2.gz MXWCKGPUVHOSOI-KBPBESRZSA-N 2 0 248.374 1.299 20 0 BDADRP CCC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879578619 590818404 /nfs/dbraw/zinc/81/84/04/590818404.db2.gz FZHFTUVJLJFSLP-RWMBFGLXSA-N 2 0 226.364 1.173 20 0 BDADRP CC[C@H](C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1)OC ZINC000879581294 590820039 /nfs/dbraw/zinc/82/00/39/590820039.db2.gz XULYMWANUNYLQU-JHJVBQTASA-N 2 0 226.364 1.437 20 0 BDADRP COCC[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880260266 590981037 /nfs/dbraw/zinc/98/10/37/590981037.db2.gz OYIVMSISOBAYBC-GFCCVEGCSA-N 2 0 235.331 1.239 20 0 BDADRP Cc1ncnc(NC[C@@H](C)[N@H+](C)C2CC2)c1C ZINC000881911143 591277784 /nfs/dbraw/zinc/27/77/84/591277784.db2.gz CHDBFDWEVCJWSC-SECBINFHSA-N 2 0 234.347 1.988 20 0 BDADRP C[C@@H]1C[C@H](N(C)C[C@@H]2C[C@H](F)C[NH2+]2)CC[N@@H+]1C ZINC000883424543 591658363 /nfs/dbraw/zinc/65/83/63/591658363.db2.gz WHICXNDDBJOJEA-MROQNXINSA-N 2 0 243.370 1.101 20 0 BDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1ccc2c(c1)COC2 ZINC000883442676 591669928 /nfs/dbraw/zinc/66/99/28/591669928.db2.gz QFFNVEJYPXTOQT-KBPBESRZSA-N 2 0 246.354 1.932 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CCc2ncncc2C1 ZINC000883461826 591673818 /nfs/dbraw/zinc/67/38/18/591673818.db2.gz DWXWCIGYNGDMDM-UHFFFAOYSA-N 2 0 234.347 1.354 20 0 BDADRP c1ncc2c(n1)CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000883461692 591674614 /nfs/dbraw/zinc/67/46/14/591674614.db2.gz BATKZGTUDAQNHY-LBPRGKRZSA-N 2 0 246.358 1.224 20 0 BDADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000884032603 591816571 /nfs/dbraw/zinc/81/65/71/591816571.db2.gz XGSLNNOCPSUTAG-NEPJUHHUSA-N 2 0 243.395 1.110 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@H]([NH3+])CC2CC2)cc1 ZINC000884037830 591818680 /nfs/dbraw/zinc/81/86/80/591818680.db2.gz NHVYPPVBIAYUNC-NOZJJQNGSA-N 2 0 247.342 1.772 20 0 BDADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@H](C)CCC[NH3+] ZINC000884296074 591896801 /nfs/dbraw/zinc/89/68/01/591896801.db2.gz NXZQLRJETHNSLC-MNOVXSKESA-N 2 0 243.395 1.240 20 0 BDADRP C[C@@H](CO)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886532923 592248825 /nfs/dbraw/zinc/24/88/25/592248825.db2.gz RDHPOJJEOVYGDW-HSBZDZAISA-N 2 0 240.391 1.754 20 0 BDADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)C1 ZINC000886613722 592276427 /nfs/dbraw/zinc/27/64/27/592276427.db2.gz CPOJKDPJDOGNRE-QJPTWQEYSA-N 2 0 242.363 1.115 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](C[C@H]2C[C@@]23CCOC3)C1 ZINC000886828236 592350181 /nfs/dbraw/zinc/35/01/81/592350181.db2.gz ZZIWNHOJTBJRLD-YNEHKIRRSA-N 2 0 224.348 1.084 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC000886828234 592351070 /nfs/dbraw/zinc/35/10/70/592351070.db2.gz ZZIWNHOJTBJRLD-RWMBFGLXSA-N 2 0 224.348 1.084 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@H]2C[C@]23CCOC3)C1 ZINC000886832388 592353797 /nfs/dbraw/zinc/35/37/97/592353797.db2.gz HRHFIUUQCLNBDP-LOWDOPEQSA-N 2 0 224.348 1.082 20 0 BDADRP C[N@H+](CCCCCC[NH3+])C[C@H]1C[C@@]12CCOC2 ZINC000886841556 592363731 /nfs/dbraw/zinc/36/37/31/592363731.db2.gz OTPWDPAZWAQENS-ZIAGYGMSSA-N 2 0 240.391 1.864 20 0 BDADRP C[C@@H](CO)C[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887134990 592449528 /nfs/dbraw/zinc/44/95/28/592449528.db2.gz UCHRZVNFXKEILA-CHWSQXEVSA-N 2 0 249.358 1.221 20 0 BDADRP CC(C)[NH+](CCNC(=[NH2+])NCC1CC1)C(C)C ZINC000887346246 592483830 /nfs/dbraw/zinc/48/38/30/592483830.db2.gz WBRAGOPFRXFUCE-UHFFFAOYSA-N 2 0 240.395 1.629 20 0 BDADRP C[C@@H](CNC(=[NH2+])NCC1CC1)[NH+]1CCCCC1 ZINC000887351695 592486042 /nfs/dbraw/zinc/48/60/42/592486042.db2.gz XWMBLBUGFSZYKW-NSHDSACASA-N 2 0 238.379 1.385 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CNC(=O)CCCCCC[NH3+] ZINC000224046797 592550486 /nfs/dbraw/zinc/55/04/86/592550486.db2.gz MVTSJBUEWLYBFZ-GFCCVEGCSA-N 2 0 241.379 1.106 20 0 BDADRP C[C@@H](N)[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccccc1 ZINC000925703436 634381285 /nfs/dbraw/zinc/38/12/85/634381285.db2.gz USESVCMEQZMAAI-TZMCWYRMSA-N 3 0 247.386 1.794 20 0 BDADRP [NH3+][C@H]1C[C@@H](N[C@@H]2CCCC[C@H]2[NH3+])C12CCC2 ZINC000925704713 634383796 /nfs/dbraw/zinc/38/37/96/634383796.db2.gz JMAOMSOTFNISOD-WISYIIOYSA-N 2 0 223.364 1.116 20 0 BDADRP CC[C@H](C[C@H](C)CO)[NH2+]C[C@@H](N)CC(F)F ZINC001577044132 993486205 /nfs/dbraw/zinc/48/62/05/993486205.db2.gz OZOBNUHEZSCTTA-LPEHRKFASA-N 2 0 238.322 1.356 20 0 BDADRP CC[C@H](C)CC[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2 ZINC000925708847 634404461 /nfs/dbraw/zinc/40/44/61/634404461.db2.gz SKCXHIUFYISEDK-QNSTZXKLSA-N 2 0 240.391 1.765 20 0 BDADRP CC(C)(F)CC[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2 ZINC000925711664 634412297 /nfs/dbraw/zinc/41/22/97/634412297.db2.gz UXIBWLQUSCNNFH-NWRZOEAASA-N 2 0 244.354 1.467 20 0 BDADRP C[C@H]([NH3+])[C@H](C)N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925711795 634413374 /nfs/dbraw/zinc/41/33/74/634413374.db2.gz RQHLWKWHVVUSIR-XWLWVQCSSA-N 2 0 213.369 1.218 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925712877 634415896 /nfs/dbraw/zinc/41/58/96/634415896.db2.gz VSNCXXJERYPJEL-WOPDTQHZSA-N 3 0 227.396 1.609 20 0 BDADRP CC1(C)[C@@H](NCC23CC(C2)C[NH2+]3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925715533 634442862 /nfs/dbraw/zinc/44/28/62/634442862.db2.gz JSAGRRGCJBMWFF-NRYGQCTKSA-N 2 0 249.402 1.105 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2COCC2(C)C)C1 ZINC000313140425 634454355 /nfs/dbraw/zinc/45/43/55/634454355.db2.gz QKWPVRNTPZZPLO-RYUDHWBXSA-N 2 0 226.364 1.343 20 0 BDADRP CC[C@H](C(N)=O)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000335570319 634492753 /nfs/dbraw/zinc/49/27/53/634492753.db2.gz RKONCDYMQDBMOO-SNVBAGLBSA-N 2 0 225.336 1.376 20 0 BDADRP CC(C)[C@H]1CN(C[C@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000257767674 634495197 /nfs/dbraw/zinc/49/51/97/634495197.db2.gz AKGIWXKBIBRKCW-CHWSQXEVSA-N 2 0 225.380 1.010 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CC[C@H]1CCSC1 ZINC000925724982 634507096 /nfs/dbraw/zinc/50/70/96/634507096.db2.gz OVTITXZQBORZFI-QWRGUYRKSA-N 2 0 228.405 1.860 20 0 BDADRP C[C@@H]1NCCC[C@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925727989 634527812 /nfs/dbraw/zinc/52/78/12/634527812.db2.gz RTNKCPZLAWUPGK-PDWCTOEPSA-N 2 0 237.391 1.247 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](CCOc2ccccc2)C1 ZINC000125543053 634538569 /nfs/dbraw/zinc/53/85/69/634538569.db2.gz AAHFIDQAFHTUAZ-CYBMUJFWSA-N 2 0 234.343 1.736 20 0 BDADRP C[C@H]([NH2+][C@H]1CCCN[C@H]1C)C1CC[NH2+]CC1 ZINC000925730241 634554076 /nfs/dbraw/zinc/55/40/76/634554076.db2.gz VDQBRIGLPZNCIK-GVXVVHGQSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@]1(C)CC1(C)C ZINC000925732499 634573714 /nfs/dbraw/zinc/57/37/14/634573714.db2.gz BYQQQSYRRFKOIR-MNXVOIDGSA-N 2 0 240.391 1.765 20 0 BDADRP COCCC[N@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000062868058 635465033 /nfs/dbraw/zinc/46/50/33/635465033.db2.gz YYAUKVJXEXYGBW-LBPRGKRZSA-N 2 0 214.353 1.344 20 0 BDADRP C[C@]1(C[N@@H+]2CCCOCC2)CCC[NH2+]C1 ZINC000062868028 635465099 /nfs/dbraw/zinc/46/50/99/635465099.db2.gz ICQFFKFSQQMVJP-LBPRGKRZSA-N 2 0 212.337 1.098 20 0 BDADRP CCC[C@@H](O)CC[NH2+][C@H](C)CCCC[NH3+] ZINC000925853792 635542655 /nfs/dbraw/zinc/54/26/55/635542655.db2.gz BPNNOVQBCQFYSJ-VXGBXAGGSA-N 2 0 216.369 1.645 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)C1(C)C ZINC000233786490 635542769 /nfs/dbraw/zinc/54/27/69/635542769.db2.gz DAOLJYASBLZEFE-YVECIDJPSA-N 2 0 240.391 1.635 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000925858244 635550441 /nfs/dbraw/zinc/55/04/41/635550441.db2.gz OAEJBALZOAGRDB-WOPDTQHZSA-N 2 0 214.353 1.397 20 0 BDADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccnn1C ZINC000235495416 635577734 /nfs/dbraw/zinc/57/77/34/635577734.db2.gz XUWXZQLMOIGPHT-WHXUTIOJSA-N 2 0 222.336 1.341 20 0 BDADRP COC[C@H](C[NH2+][C@H]1CCC[NH2+]CC1)C(C)C ZINC000925873676 635593212 /nfs/dbraw/zinc/59/32/12/635593212.db2.gz MKGIOHGYUZOLPG-STQMWFEESA-N 2 0 228.380 1.637 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000925877949 635601219 /nfs/dbraw/zinc/60/12/19/635601219.db2.gz ZNJQHOXJUUXDNW-RFQIPJPRSA-N 3 0 239.407 1.434 20 0 BDADRP [NH3+]C1CCC([NH2+]CCOC2CCOCC2)CC1 ZINC000925878048 635604179 /nfs/dbraw/zinc/60/41/79/635604179.db2.gz PMJGGLYMBXSUCA-UHFFFAOYSA-N 2 0 242.363 1.042 20 0 BDADRP C[C@H]([NH2+]CCCCCC[NH3+])C1CC[NH+](C)CC1 ZINC000843340976 635625198 /nfs/dbraw/zinc/62/51/98/635625198.db2.gz AZTQFHAWYRQRMF-ZDUSSCGKSA-N 3 0 241.423 1.825 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)C[C@@H]1CCCOC1 ZINC000082560965 631407091 /nfs/dbraw/zinc/40/70/91/631407091.db2.gz CHVIQIIIMGPICZ-AGIUHOORSA-N 2 0 226.364 1.200 20 0 BDADRP Cc1cc(N(C)CC2([NH+](C)C)CCC2)nc(N)[nH+]1 ZINC000097936635 631674951 /nfs/dbraw/zinc/67/49/51/631674951.db2.gz PPASPDDJRVMFSC-UHFFFAOYSA-N 2 0 249.362 1.288 20 0 BDADRP C[C@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000309060179 631835147 /nfs/dbraw/zinc/83/51/47/631835147.db2.gz XIZFDLMKCJJTLR-QWHCGFSZSA-N 2 0 226.364 1.175 20 0 BDADRP C[C@@H]1CCCN1CC[NH2+]C[C@@H]1CCSC1 ZINC000309118152 631887340 /nfs/dbraw/zinc/88/73/40/631887340.db2.gz MLXIFAJKSABHHB-NEPJUHHUSA-N 2 0 228.405 1.813 20 0 BDADRP CCC([NH3+])(CC)C[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000158633647 631920014 /nfs/dbraw/zinc/92/00/14/631920014.db2.gz CRELKUGWGUKYCU-QWRGUYRKSA-N 2 0 214.353 1.519 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000091394770 631958261 /nfs/dbraw/zinc/95/82/61/631958261.db2.gz NQBFPSHBGYLLKE-AAEUAGOBSA-N 2 0 241.379 1.057 20 0 BDADRP OCCCCCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000309251973 631983214 /nfs/dbraw/zinc/98/32/14/631983214.db2.gz FFHAXUJTUWOQAV-OLZOCXBDSA-N 2 0 226.364 1.223 20 0 BDADRP c1csc(CC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000309286366 631991567 /nfs/dbraw/zinc/99/15/67/631991567.db2.gz OUHKAIWGAXBPGK-AAEUAGOBSA-N 2 0 236.384 1.974 20 0 BDADRP COCC[N@H+](CC[C@@H]1CCC[NH2+]C1)CC(C)C ZINC000051919226 632012156 /nfs/dbraw/zinc/01/21/56/632012156.db2.gz AADITROCXIFGGD-AWEZNQCLSA-N 2 0 242.407 1.981 20 0 BDADRP CC(C)NC(=[NH2+])NCCC[N@@H+]1CCCC[C@@H]1C ZINC000052041117 632052591 /nfs/dbraw/zinc/05/25/91/632052591.db2.gz VGKCLHQROZOKDJ-LBPRGKRZSA-N 2 0 240.395 1.773 20 0 BDADRP CCNC(=[NH2+])NC[C@H](C)C[NH+]1CCCCC1 ZINC000052042976 632053831 /nfs/dbraw/zinc/05/38/31/632053831.db2.gz KMSGOVDBUKOXKN-NSHDSACASA-N 2 0 226.368 1.242 20 0 BDADRP C[NH+]1CCC(CNC(=[NH2+])Nc2ccccc2)CC1 ZINC000052048599 632056390 /nfs/dbraw/zinc/05/63/90/632056390.db2.gz KZAOFLYMURSHRV-UHFFFAOYSA-N 2 0 246.358 1.965 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC=CO2)CC[N@@H+]1C ZINC000252181040 635708874 /nfs/dbraw/zinc/70/88/74/635708874.db2.gz SWWBMZWMMBPRSN-FRRDWIJNSA-N 2 0 224.348 1.751 20 0 BDADRP O[C@H](CC1CCCC1)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000232148661 632128825 /nfs/dbraw/zinc/12/88/25/632128825.db2.gz XGNGCFXZDFTOEX-MGPQQGTHSA-N 2 0 238.375 1.079 20 0 BDADRP CC1=CCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000894218904 635753149 /nfs/dbraw/zinc/75/31/49/635753149.db2.gz BKQABOPHGKTPPJ-UHFFFAOYSA-N 2 0 208.349 1.980 20 0 BDADRP CCN1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000250354586 632541566 /nfs/dbraw/zinc/54/15/66/632541566.db2.gz RXUXWUGHCRYSTH-RDBSUJKOSA-N 2 0 239.407 1.578 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000089144546 632657808 /nfs/dbraw/zinc/65/78/08/632657808.db2.gz PCDXNGMZHSFLMM-MGPQQGTHSA-N 3 0 239.407 1.435 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC000310369586 632736004 /nfs/dbraw/zinc/73/60/04/632736004.db2.gz NGJSZPRCFJYIMS-ZIAGYGMSSA-N 2 0 234.343 1.391 20 0 BDADRP CCC1(C[NH2+]CC2CC[NH+](C)CC2)COC1 ZINC000309428944 633059561 /nfs/dbraw/zinc/05/95/61/633059561.db2.gz FTDITLJHLVRHNO-UHFFFAOYSA-N 2 0 226.364 1.344 20 0 BDADRP CC[N@H+](C)C[C@H]1CCN(c2nc(N)cc(C)[nH+]2)C1 ZINC000892730054 633205348 /nfs/dbraw/zinc/20/53/48/633205348.db2.gz CZSZHVCDDZPLOH-LLVKDONJSA-N 2 0 249.362 1.145 20 0 BDADRP CC[N@H+](C)C[C@@H]1CCN(c2nc(N)cc(C)[nH+]2)C1 ZINC000892730057 633205768 /nfs/dbraw/zinc/20/57/68/633205768.db2.gz CZSZHVCDDZPLOH-NSHDSACASA-N 2 0 249.362 1.145 20 0 BDADRP CCCCCC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000310253827 636005951 /nfs/dbraw/zinc/00/59/51/636005951.db2.gz OTFWIFNAVQSWGR-AWEZNQCLSA-N 2 0 239.407 1.546 20 0 BDADRP FCCCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328240005 633747790 /nfs/dbraw/zinc/74/77/90/633747790.db2.gz AYHBMGUDNCWYOB-RNWYCLNJSA-N 2 0 212.312 1.322 20 0 BDADRP CC1(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CCC1 ZINC000328558247 633776290 /nfs/dbraw/zinc/77/62/90/633776290.db2.gz CJXBUEWRIDRQMH-JZRPKSSGSA-N 2 0 220.360 1.763 20 0 BDADRP CSCCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328563314 633776922 /nfs/dbraw/zinc/77/69/22/633776922.db2.gz JCFNWSMOGMFXCD-KKJSVHSVSA-N 2 0 226.389 1.326 20 0 BDADRP CCC[C@H]([NH3+])C(=O)N(CCC)C1CC[NH2+]CC1 ZINC000236794600 633824637 /nfs/dbraw/zinc/82/46/37/633824637.db2.gz IQUYIFHMJYHYBV-LBPRGKRZSA-N 2 0 241.379 1.104 20 0 BDADRP CCCC[NH+]1CCC([NH2+][C@@H](C)COC)CC1 ZINC000053174554 633877554 /nfs/dbraw/zinc/87/75/54/633877554.db2.gz NYXDXBGFWNKVEL-LBPRGKRZSA-N 2 0 228.380 1.875 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CC[C@H]1CCCO1 ZINC000925536952 633938246 /nfs/dbraw/zinc/93/82/46/633938246.db2.gz UCGJCMWWCJHNOC-GHMZBOCLSA-N 2 0 212.337 1.286 20 0 BDADRP C(N[C@H]1CC[NH2+]C12CCC2)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000925538580 633945067 /nfs/dbraw/zinc/94/50/67/633945067.db2.gz VGZCSPOLYJHBPH-OCCSQVGLSA-N 2 0 249.402 1.345 20 0 BDADRP C[C@H](CCCO)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925548033 633988557 /nfs/dbraw/zinc/98/85/57/633988557.db2.gz FSSSWIQLFBIXIQ-IJLUTSLNSA-N 2 0 228.380 1.643 20 0 BDADRP C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H](O)CN1CCCC1 ZINC000309983954 634058730 /nfs/dbraw/zinc/05/87/30/634058730.db2.gz YARCZRZJEUPNAY-MCIONIFRSA-N 2 0 240.391 1.706 20 0 BDADRP CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C2(C)C)CCO1 ZINC000925616380 634161019 /nfs/dbraw/zinc/16/10/19/634161019.db2.gz RXHHAIZNSAADEX-AVGNSLFASA-N 2 0 240.391 1.920 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@@H]1C=C[C@H](CO)C1)[NH2+]2 ZINC000925616612 634164832 /nfs/dbraw/zinc/16/48/32/634164832.db2.gz SGJSXOPLDXDHHP-QQOHENMQSA-N 2 0 236.359 1.042 20 0 BDADRP CC[C@@H](CCO)[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925621252 634180981 /nfs/dbraw/zinc/18/09/81/634180981.db2.gz CYCSPZXMKLWGHC-NWDGAFQWSA-N 2 0 226.364 1.412 20 0 BDADRP CC(C)(CCO)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925621665 634182269 /nfs/dbraw/zinc/18/22/69/634182269.db2.gz GCTRPLWTAYFRTK-LLVKDONJSA-N 2 0 226.364 1.269 20 0 BDADRP C[C@@H](C[NH2+]C1CCCCC1)N1CC[NH+](C)CC1 ZINC000053486255 634208517 /nfs/dbraw/zinc/20/85/17/634208517.db2.gz WUILQBXWWPEVFH-ZDUSSCGKSA-N 2 0 239.407 1.545 20 0 BDADRP CCC[N@H+](CC)C[C@@H](C)N[C@H]1CC[NH2+]C1(C)C ZINC000925676478 634265436 /nfs/dbraw/zinc/26/54/36/634265436.db2.gz MIDDNORGERTOGV-OLZOCXBDSA-N 2 0 241.423 1.837 20 0 BDADRP CO[C@H](C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)C1CC1 ZINC000925676233 634268122 /nfs/dbraw/zinc/26/81/22/634268122.db2.gz QBYIBYXCESSOSG-RWMBFGLXSA-N 2 0 240.391 1.907 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]C[C@H]2CCCO2)C12CCC2 ZINC000925680580 634280692 /nfs/dbraw/zinc/28/06/92/634280692.db2.gz RXYURRRVNDAPGO-VWYCJHECSA-N 2 0 210.321 1.025 20 0 BDADRP C[C@@H]1NCCC[C@@H]1[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000925686977 634302702 /nfs/dbraw/zinc/30/27/02/634302702.db2.gz YAGYTWSUVNGZRK-IHRRRGAJSA-N 3 0 239.407 1.448 20 0 BDADRP C1CCC([C@@H]2C[NH2+]CC[C@@H]2N[C@@H]2CC[NH2+]C2)C1 ZINC000925687756 634303653 /nfs/dbraw/zinc/30/36/53/634303653.db2.gz AUJRBTCSJJCNBV-RDBSUJKOSA-N 2 0 237.391 1.106 20 0 BDADRP O[C@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925694638 634334049 /nfs/dbraw/zinc/33/40/49/634334049.db2.gz VPEGXWCPKQYKIJ-RQJABVFESA-N 2 0 238.375 1.268 20 0 BDADRP C[C@@H]([NH3+])c1ccc(CN[C@H]2CC[NH2+]C2(C)C)cc1 ZINC000925697366 634359372 /nfs/dbraw/zinc/35/93/72/634359372.db2.gz FBROYDNPEQTPCI-RISCZKNCSA-N 2 0 247.386 1.936 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925697992 634361925 /nfs/dbraw/zinc/36/19/25/634361925.db2.gz BSGBBRGRXHBLMI-IJLUTSLNSA-N 3 0 225.380 1.363 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000398469093 634364272 /nfs/dbraw/zinc/36/42/72/634364272.db2.gz DNPCGPIOBNXRMW-OCCSQVGLSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@H](C[NH3+])CN[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925698962 634365886 /nfs/dbraw/zinc/36/58/86/634365886.db2.gz MCCATCNBDCUFAB-VWYCJHECSA-N 2 0 213.369 1.077 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000925699343 634366004 /nfs/dbraw/zinc/36/60/04/634366004.db2.gz OGGSQPIBRJJBJN-LLVKDONJSA-N 3 0 225.380 1.106 20 0 BDADRP CC(C)([NH3+])CN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925699184 634366690 /nfs/dbraw/zinc/36/66/90/634366690.db2.gz NTNKDYXXVIKEHJ-STQMWFEESA-N 2 0 239.407 1.482 20 0 BDADRP CCC([NH3+])(CC)CN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925699060 634366922 /nfs/dbraw/zinc/36/69/22/634366922.db2.gz MPYIDDNAHIJDJG-VXGBXAGGSA-N 2 0 241.423 2.000 20 0 BDADRP C[C@@H]([NH3+])[C@@H](NC[C@H](C)[NH3+])c1ccccc1 ZINC000925699674 634368612 /nfs/dbraw/zinc/36/86/12/634368612.db2.gz LNZDDEFUDMTFLG-HOSYDEDBSA-N 2 0 207.321 1.012 20 0 BDADRP C[C@@H]1NCCC[C@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000925700328 634369090 /nfs/dbraw/zinc/36/90/90/634369090.db2.gz RURFPPLQABIQKQ-NWDGAFQWSA-N 2 0 225.380 1.106 20 0 BDADRP C[C@H]([NH3+])CN[C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925699677 634369139 /nfs/dbraw/zinc/36/91/39/634369139.db2.gz LNZDDEFUDMTFLG-JBLDHEPKSA-N 2 0 207.321 1.012 20 0 BDADRP C[N@H+](C[C@@H](O)c1ccccc1)CC(C)(C)C[NH3+] ZINC000093874339 635133234 /nfs/dbraw/zinc/13/32/34/635133234.db2.gz GCGHGOXXDATGSS-CYBMUJFWSA-N 2 0 236.359 1.637 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)[C@@H](C)O)CC1 ZINC000309019935 635152661 /nfs/dbraw/zinc/15/26/61/635152661.db2.gz WLXZARSYNNBLQR-WDEREUQCSA-N 2 0 214.353 1.218 20 0 BDADRP C(C[C@H]1CCCO1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000925774237 635232985 /nfs/dbraw/zinc/23/29/85/635232985.db2.gz LOENNWGHGRCSHB-XJFOESAGSA-N 2 0 238.375 1.533 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCCO1 ZINC000925774304 635234256 /nfs/dbraw/zinc/23/42/56/635234256.db2.gz MIHCVYPIPSIDOL-JHJVBQTASA-N 2 0 226.364 1.663 20 0 BDADRP COC[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)C1CCCC1 ZINC000925786042 635303681 /nfs/dbraw/zinc/30/36/81/635303681.db2.gz RICQFNXVKFJPTE-KWCYVHTRSA-N 2 0 240.391 1.637 20 0 BDADRP CN(C)c1cc[nH+]c(CN[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000925813491 635374635 /nfs/dbraw/zinc/37/46/35/635374635.db2.gz UIMMVJVNXVIIIO-SMDDNHRTSA-N 2 0 248.374 1.365 20 0 BDADRP CN(C)c1cc[nH+]c(CN[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000925813488 635374728 /nfs/dbraw/zinc/37/47/28/635374728.db2.gz UIMMVJVNXVIIIO-BXUZGUMPSA-N 2 0 248.374 1.365 20 0 BDADRP CC[C@H]([NH2+]CCN1CCC([NH3+])CC1)[C@H]1C[C@H]1C ZINC000925817093 635387307 /nfs/dbraw/zinc/38/73/07/635387307.db2.gz MZFRXEXQBLEYGO-XBFCOCLRSA-N 2 0 239.407 1.434 20 0 BDADRP CC[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000233922399 636626190 /nfs/dbraw/zinc/62/61/90/636626190.db2.gz NQOSSNKQFRMFJO-UPJWGTAASA-N 2 0 210.365 1.964 20 0 BDADRP C[NH+]1CCC(CN2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000250615257 636753447 /nfs/dbraw/zinc/75/34/47/636753447.db2.gz NUCIEAGIRDMPPP-AWEZNQCLSA-N 2 0 237.391 1.108 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C2CC(CCO)C2)[C@H](C)C1 ZINC000898010411 636852379 /nfs/dbraw/zinc/85/23/79/636852379.db2.gz GDESALSWIMXMDM-RYSNWHEDSA-N 2 0 240.391 1.467 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccncc1 ZINC000084215718 636874390 /nfs/dbraw/zinc/87/43/90/636874390.db2.gz MYQOIQDYXODKDU-OLZOCXBDSA-N 2 0 219.332 1.689 20 0 BDADRP CC1(C)C[C@H](O)C[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000866704329 636934423 /nfs/dbraw/zinc/93/44/23/636934423.db2.gz SSVYOGQFPQVMEW-RYUDHWBXSA-N 2 0 226.364 1.079 20 0 BDADRP CC[C@@H](CO)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902363371 637300392 /nfs/dbraw/zinc/30/03/92/637300392.db2.gz LRELMQPAZHQODX-QWRGUYRKSA-N 2 0 214.353 1.125 20 0 BDADRP C[NH+]1CCC(N[C@@H]2Cc3ccccc3[C@H]2[NH3+])CC1 ZINC000902446196 637305345 /nfs/dbraw/zinc/30/53/45/637305345.db2.gz SHCDBSIWUAKVAO-HUUCEWRRSA-N 2 0 245.370 1.295 20 0 BDADRP CCOC[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903437064 637360608 /nfs/dbraw/zinc/36/06/08/637360608.db2.gz CRPLIFVCNRRYRO-MCIONIFRSA-N 2 0 240.391 1.590 20 0 BDADRP C[N@H+](CCCn1ccnc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903461466 637362337 /nfs/dbraw/zinc/36/23/37/637362337.db2.gz UUQFHKVACIBTCL-OLZOCXBDSA-N 2 0 236.363 1.332 20 0 BDADRP C[C@H](CO)[C@H]1CCCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903463592 637364125 /nfs/dbraw/zinc/36/41/25/637364125.db2.gz GEXPWAMAQGOXTG-YIYPIFLZSA-N 2 0 240.391 1.597 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(c2ccon2)CC1 ZINC000903464906 637365206 /nfs/dbraw/zinc/36/52/06/637365206.db2.gz ZNRWNALLONNQPN-YPMHNXCESA-N 2 0 249.358 1.710 20 0 BDADRP C[NH2+]C[C@@H]1CCCCN1CC[C@H]1CC[NH2+]C1 ZINC000903528997 637369402 /nfs/dbraw/zinc/36/94/02/637369402.db2.gz BBLDTENHCWACIH-OLZOCXBDSA-N 2 0 225.380 1.060 20 0 BDADRP CCCC[N@H+](CCO)C[C@@H]1CCCC[NH2+]C1 ZINC000903718591 637377109 /nfs/dbraw/zinc/37/71/09/637377109.db2.gz PHCXJHKCYSHXAV-CYBMUJFWSA-N 2 0 228.380 1.471 20 0 BDADRP CC(C)C[N@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903724950 637378593 /nfs/dbraw/zinc/37/85/93/637378593.db2.gz SWIHNUBTRQBHDQ-CYBMUJFWSA-N 2 0 240.391 1.733 20 0 BDADRP CC[N@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)C(C)C ZINC000903722632 637378751 /nfs/dbraw/zinc/37/87/51/637378751.db2.gz BZNHIEZUUHRHLZ-OLZOCXBDSA-N 2 0 226.364 1.485 20 0 BDADRP C[N@H+](C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)CC(C)(C)C ZINC000903721438 637379239 /nfs/dbraw/zinc/37/92/39/637379239.db2.gz AHPATWDKRAZGMH-TZMCWYRMSA-N 2 0 240.391 1.733 20 0 BDADRP CCC[N@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903724888 637379491 /nfs/dbraw/zinc/37/94/91/637379491.db2.gz RZIWTJQCDOUZMC-GFCCVEGCSA-N 2 0 226.364 1.487 20 0 BDADRP CC(C)[N@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903721807 637380072 /nfs/dbraw/zinc/38/00/72/637380072.db2.gz FICFPJYMPAXXSB-KBPBESRZSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@@]1(CN2CC[C@]3(C2)CCCC[NH2+]3)CC[NH2+]C1 ZINC000904431034 637400277 /nfs/dbraw/zinc/40/02/77/637400277.db2.gz WNTJNJLFNOEVPA-KGLIPLIRSA-N 2 0 237.391 1.204 20 0 BDADRP CC1(C)C[NH2+]C[C@H]1[NH2+]CC[C@H]1CCOC1 ZINC000904460695 637420215 /nfs/dbraw/zinc/42/02/15/637420215.db2.gz BWBDQIRLUSGMML-WDEREUQCSA-N 2 0 212.337 1.001 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@H]2COC[C@H]2C2CC2)CC[NH2+]1 ZINC000904475514 637425516 /nfs/dbraw/zinc/42/55/16/637425516.db2.gz LGOOCOZTBBWTNL-RFHZTLPTSA-N 2 0 238.375 1.389 20 0 BDADRP C([NH2+][C@H]1COC[C@@H]1C1CC1)C1CC[NH2+]CC1 ZINC000904475810 637425792 /nfs/dbraw/zinc/42/57/92/637425792.db2.gz MRMSDMKKAOFFOB-OLZOCXBDSA-N 2 0 224.348 1.001 20 0 BDADRP C[C@H]1C[C@H](CNc2ccccc2C[NH3+])CC[NH2+]1 ZINC000904484043 637428720 /nfs/dbraw/zinc/42/87/20/637428720.db2.gz CRXALRDKMYMMTK-NWDGAFQWSA-N 2 0 233.359 1.945 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000904925801 637528298 /nfs/dbraw/zinc/52/82/98/637528298.db2.gz MDBNHFUBUUAJSI-GVXVVHGQSA-N 2 0 241.379 1.232 20 0 BDADRP C[C@@](O)(C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)C(F)F ZINC000905058433 637590450 /nfs/dbraw/zinc/59/04/50/637590450.db2.gz GPHXDACETQVGPX-JOYOIKCWSA-N 2 0 248.317 1.076 20 0 BDADRP CC1(C)C[NH2+]C[C@@H]1c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000905304971 637762219 /nfs/dbraw/zinc/76/22/19/637762219.db2.gz PRGSFUZWKJFNKG-BDAKNGLRSA-N 2 0 236.319 1.207 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)OCCO3)C1 ZINC000906508307 638178858 /nfs/dbraw/zinc/17/88/58/638178858.db2.gz MHNOFVPERXUSCU-XYPYZODXSA-N 2 0 234.299 1.037 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2c[nH]nc2-c2ccccc2)C1 ZINC000906508059 638179425 /nfs/dbraw/zinc/17/94/25/638179425.db2.gz JPVJXOSMWBRRDW-JOCQHMNTSA-N 2 0 242.326 1.656 20 0 BDADRP Cc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)cc1C ZINC000906508737 638181854 /nfs/dbraw/zinc/18/18/54/638181854.db2.gz XFONRVUKYOYHAP-JOCQHMNTSA-N 2 0 204.317 1.883 20 0 BDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NC1CC([NH3+])C1 ZINC000906509961 638182981 /nfs/dbraw/zinc/18/29/81/638182981.db2.gz GHRPOHNJCQIUEL-CQLXCSJHSA-N 2 0 225.380 1.377 20 0 BDADRP [NH3+]C1CC([NH2+]C/C=C/c2ccccc2)C1 ZINC000906510744 638183297 /nfs/dbraw/zinc/18/32/97/638183297.db2.gz UJAREXSITVWDRX-QPJJXVBHSA-N 2 0 202.301 1.779 20 0 BDADRP Cc1cc(C[NH2+]C2CC([NH3+])C2)ccc1F ZINC000906510753 638183577 /nfs/dbraw/zinc/18/35/77/638183577.db2.gz UYJGEJYHTDSAPK-UHFFFAOYSA-N 2 0 208.280 1.713 20 0 BDADRP [NH3+]C1CC([NH2+]Cc2cnc3ccccc3c2)C1 ZINC000906511079 638183646 /nfs/dbraw/zinc/18/36/46/638183646.db2.gz SCERCUMSGKHVHM-UHFFFAOYSA-N 2 0 227.311 1.814 20 0 BDADRP [NH3+][C@H]1C[C@H](N[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000906518904 638187331 /nfs/dbraw/zinc/18/73/31/638187331.db2.gz UODZOTLCPKVPKT-KBUPBQIOSA-N 2 0 245.370 1.559 20 0 BDADRP CCCC[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000906528001 638192638 /nfs/dbraw/zinc/19/26/38/638192638.db2.gz QZQUTYCQUSUYJL-CYBMUJFWSA-N 2 0 228.380 1.877 20 0 BDADRP CCCC[NH2+]C1CC[NH+](CCCOC)CC1 ZINC000906528082 638192876 /nfs/dbraw/zinc/19/28/76/638192876.db2.gz UFFNODBQZQVYEL-UHFFFAOYSA-N 2 0 228.380 1.877 20 0 BDADRP CCCC[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000906529165 638194962 /nfs/dbraw/zinc/19/49/62/638194962.db2.gz GSMSEXDZHNDIMB-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP C[NH2+]CCCCC(=O)Nc1cccc(C[NH3+])c1 ZINC000911647627 639702249 /nfs/dbraw/zinc/70/22/49/639702249.db2.gz CYXDEMIJVAZOTR-UHFFFAOYSA-N 2 0 235.331 1.474 20 0 BDADRP CC(C)(C[NH3+])CC(=O)NCC1([NH3+])CCCCC1 ZINC000911651881 639707980 /nfs/dbraw/zinc/70/79/80/639707980.db2.gz IWGDJDLMLICSDO-UHFFFAOYSA-N 2 0 241.379 1.139 20 0 BDADRP C[C@H]([NH3+])CCNC(=O)[C@@H]([NH3+])C1CCCCCC1 ZINC000911740044 639766331 /nfs/dbraw/zinc/76/63/31/639766331.db2.gz GTSKUPMLWCJOCV-JQWIXIFHSA-N 2 0 241.379 1.138 20 0 BDADRP CC[C@@H](C)C[C@@H]([NH3+])C(=O)NC(CC)(CC)C[NH3+] ZINC000911800139 639822276 /nfs/dbraw/zinc/82/22/76/639822276.db2.gz OOQFXWRBHRTHHB-GHMZBOCLSA-N 2 0 243.395 1.384 20 0 BDADRP CC(C)(C)[C@H]([NH3+])CC(=O)NC1(C[NH3+])CCCC1 ZINC000911801041 639822839 /nfs/dbraw/zinc/82/28/39/639822839.db2.gz XHLHDADIWXRFTP-SNVBAGLBSA-N 2 0 241.379 1.138 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C23CC(C2)C[NH2+]3)cc1 ZINC000911843977 639838700 /nfs/dbraw/zinc/83/87/00/639838700.db2.gz DAGMHMAVDZQLNT-NAUIOFCNSA-N 2 0 245.326 1.397 20 0 BDADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000911831624 639842106 /nfs/dbraw/zinc/84/21/06/639842106.db2.gz LWIAPPFGFHEDIA-GVXVVHGQSA-N 2 0 243.395 1.240 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)c1ccccc1C[NH3+] ZINC000911857370 639860172 /nfs/dbraw/zinc/86/01/72/639860172.db2.gz IPGNKYYTHKGEFE-UHFFFAOYSA-N 2 0 249.358 1.393 20 0 BDADRP CC(C)CC[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931431790 640199164 /nfs/dbraw/zinc/19/91/64/640199164.db2.gz ORLJTPLSKXRSPQ-QWHCGFSZSA-N 2 0 210.365 1.916 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CCCO3)C[C@@H]2C1 ZINC000931431631 640199293 /nfs/dbraw/zinc/19/92/93/640199293.db2.gz CYKITESZBIJWKY-FRRDWIJNSA-N 2 0 224.348 1.049 20 0 BDADRP Cc1nc(C)c(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)o1 ZINC000931439262 640200978 /nfs/dbraw/zinc/20/09/78/640200978.db2.gz SESADULTVQBKNQ-OLZOCXBDSA-N 2 0 249.358 1.675 20 0 BDADRP Cc1cc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)ccn1 ZINC000931441241 640208449 /nfs/dbraw/zinc/20/84/49/640208449.db2.gz FGKVRYWCKYBDDZ-CABCVRRESA-N 2 0 245.370 1.774 20 0 BDADRP C[N@@H+]1CC[C@H]2CN(CC[NH+]3CCCC3)CC[C@@H]21 ZINC000931548267 640267688 /nfs/dbraw/zinc/26/76/88/640267688.db2.gz XIRXQWCKUWKYHG-KBPBESRZSA-N 2 0 237.391 1.108 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000924853525 640288549 /nfs/dbraw/zinc/28/85/49/640288549.db2.gz PABQWKWYKZWQGG-GHMZBOCLSA-N 2 0 237.347 1.778 20 0 BDADRP CCOCCC[N@@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000931725010 640340418 /nfs/dbraw/zinc/34/04/18/640340418.db2.gz RMVLGIIWHPKXJL-OLZOCXBDSA-N 2 0 226.364 1.582 20 0 BDADRP Cc1n[nH]cc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000044516381 640398782 /nfs/dbraw/zinc/39/87/82/640398782.db2.gz CQBPUKPNVILGAK-UHFFFAOYSA-N 2 0 222.336 1.150 20 0 BDADRP Cc1cc(NC[C@@H]2CC[N@@H+](C3CC3)C2)nc(N)[nH+]1 ZINC000221676695 640416228 /nfs/dbraw/zinc/41/62/28/640416228.db2.gz YHQWGCWIOIVIAX-JTQLQIEISA-N 2 0 247.346 1.263 20 0 BDADRP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3C[C@H]4C[C@H]4C3)C[C@]2(C)C1 ZINC000933734407 640755479 /nfs/dbraw/zinc/75/54/79/640755479.db2.gz PMMVAEJCQNLDEJ-KHMAMNHCSA-N 2 0 234.387 1.916 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCCCCCO)C1 ZINC000226540779 640774000 /nfs/dbraw/zinc/77/40/00/640774000.db2.gz KXTHJEVRMWPTET-NWDGAFQWSA-N 2 0 214.353 1.208 20 0 BDADRP C[C@H](CC[NH+](C)C)N[C@H]1CCc2cccnc21 ZINC000226817329 640793299 /nfs/dbraw/zinc/79/32/99/640793299.db2.gz BFPSNYGAKWHCKO-YPMHNXCESA-N 2 0 233.359 1.999 20 0 BDADRP C[C@@H](CC[NH+](C)C)N[C@H]1CCc2cccnc21 ZINC000226817323 640793330 /nfs/dbraw/zinc/79/33/30/640793330.db2.gz BFPSNYGAKWHCKO-AAEUAGOBSA-N 2 0 233.359 1.999 20 0 BDADRP C[NH+](C)CC1CC[NH+](CCCCCCO)CC1 ZINC000226834683 640799345 /nfs/dbraw/zinc/79/93/45/640799345.db2.gz KRFQTGBXSIESQZ-UHFFFAOYSA-N 2 0 242.407 1.813 20 0 BDADRP C[C@H]1C[N@H+](C[C@@H](O)c2ccccc2)CC[C@@H]1[NH3+] ZINC000227072431 640814131 /nfs/dbraw/zinc/81/41/31/640814131.db2.gz UFJSFHSBECHLDI-FPMFFAJLSA-N 2 0 234.343 1.389 20 0 BDADRP CCC[C@@H](CCO)C[NH2+]CC1CC[NH+](C)CC1 ZINC000227429960 640834451 /nfs/dbraw/zinc/83/44/51/640834451.db2.gz WJIKKVKCODNOFP-ZDUSSCGKSA-N 2 0 242.407 1.717 20 0 BDADRP COc1ccc(C[NH2+]C2CC([NH3+])C2)cc1 ZINC000087651088 640957049 /nfs/dbraw/zinc/95/70/49/640957049.db2.gz MVVVUIGTOUCDAO-UHFFFAOYSA-N 2 0 206.289 1.275 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CCSC1)C[NH+]1CCCC1 ZINC000062077973 641018325 /nfs/dbraw/zinc/01/83/25/641018325.db2.gz NQXHLOLIGDCGFR-VXGBXAGGSA-N 2 0 228.405 1.813 20 0 BDADRP Cn1cc(CC[N@@H+]2CCC[C@@H](CC[NH3+])C2)cn1 ZINC000230774829 641094046 /nfs/dbraw/zinc/09/40/46/641094046.db2.gz IJZGXGRXAAFFIR-LBPRGKRZSA-N 2 0 236.363 1.023 20 0 BDADRP C[C@@]1(C[NH2+]C[C@H]2CCCO2)CCC[NH2+]C1 ZINC000062862302 641100190 /nfs/dbraw/zinc/10/01/90/641100190.db2.gz CKQGKNZSKRGYIF-VXGBXAGGSA-N 2 0 212.337 1.145 20 0 BDADRP C[C@@H]1CN(C[C@]2(C)CCC[NH2+]C2)C[C@H](C)O1 ZINC000062861634 641101354 /nfs/dbraw/zinc/10/13/54/641101354.db2.gz HXGALBRIHKWGFP-FRRDWIJNSA-N 2 0 226.364 1.485 20 0 BDADRP CC[NH+](CC)[C@@H]1CCN(CCC[NH2+]C2CC2)C1 ZINC000062967708 641110852 /nfs/dbraw/zinc/11/08/52/641110852.db2.gz YFBZFDTYBLDNHI-CQSZACIVSA-N 2 0 239.407 1.545 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000232148829 641248922 /nfs/dbraw/zinc/24/89/22/641248922.db2.gz MLKGWJCMEIYFBK-YUTCNCBUSA-N 2 0 240.391 1.597 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000232148412 641249633 /nfs/dbraw/zinc/24/96/33/641249633.db2.gz MTADJXULERDSCG-STQMWFEESA-N 2 0 226.364 1.208 20 0 BDADRP C(C[C@H]1CCOC1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000232461832 641285565 /nfs/dbraw/zinc/28/55/65/641285565.db2.gz MMILEWMBEWYHIP-NWDGAFQWSA-N 2 0 212.337 1.002 20 0 BDADRP CC[N@H+](CCC1CC[NH2+]CC1)C[C@@H]1CCCO1 ZINC000042468761 641552004 /nfs/dbraw/zinc/55/20/04/641552004.db2.gz UGWIOPVDXPUDQV-AWEZNQCLSA-N 2 0 240.391 1.877 20 0 BDADRP CC[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000044293936 641595226 /nfs/dbraw/zinc/59/52/26/641595226.db2.gz SBGYZXLEPITOBH-ZDUSSCGKSA-N 2 0 249.358 1.015 20 0 BDADRP C[C@@H]([NH2+]CCCCCC[NH3+])[C@@H]1CCOC1 ZINC000158609109 641641572 /nfs/dbraw/zinc/64/15/72/641641572.db2.gz HRBLFQSCCJDGGY-VXGBXAGGSA-N 2 0 214.353 1.520 20 0 BDADRP C[C@@H]([NH2+]CCC(C)(C)[NH3+])[C@H]1CCOC1 ZINC000158612268 641641725 /nfs/dbraw/zinc/64/17/25/641641725.db2.gz MREONUHJSKDZEJ-ZJUUUORDSA-N 2 0 200.326 1.128 20 0 BDADRP CSC1(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000235088346 641824203 /nfs/dbraw/zinc/82/42/03/641824203.db2.gz ZILWMZWCUSNJNF-WDEREUQCSA-N 2 0 228.405 1.989 20 0 BDADRP C[N@H+](CCNC[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000234296860 642427217 /nfs/dbraw/zinc/42/72/17/642427217.db2.gz FFBADGIKTCPXQP-LBPRGKRZSA-N 2 0 225.380 1.202 20 0 BDADRP CCO[C@H]1CCC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000891401490 642472312 /nfs/dbraw/zinc/47/23/12/642472312.db2.gz XSQAEZPGXKRGLX-AWEZNQCLSA-N 2 0 240.391 1.829 20 0 BDADRP CC1(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])CCOCC1 ZINC000233027420 642645283 /nfs/dbraw/zinc/64/52/83/642645283.db2.gz RESQARMMQDRHCN-OLZOCXBDSA-N 2 0 240.391 1.910 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]CC(C)(C)[NH3+])C1(C)C ZINC000233741585 642692893 /nfs/dbraw/zinc/69/28/93/642692893.db2.gz IPQFVCPWIVBNNA-NXEZZACHSA-N 2 0 214.353 1.517 20 0 BDADRP CCCCCC[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000306116014 642722510 /nfs/dbraw/zinc/72/25/10/642722510.db2.gz YUCGXFUNUUXCIZ-CQSZACIVSA-N 2 0 239.407 1.546 20 0 BDADRP CC(C)[NH2+][C@H]1CCCN(CC[NH+]2CCCC2)C1 ZINC000071199494 643108382 /nfs/dbraw/zinc/10/83/82/643108382.db2.gz PFFORIRZRCFOBR-AWEZNQCLSA-N 2 0 239.407 1.545 20 0 BDADRP C[N@@H+]1CC[C@H](N[C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000252765248 643111022 /nfs/dbraw/zinc/11/10/22/643111022.db2.gz FSGVHGZVTFPSMO-BPNCWPANSA-N 2 0 231.343 1.425 20 0 BDADRP [NH3+]C[C@H]1CCC[N@H+](CCc2cccs2)C1 ZINC000082602401 643352571 /nfs/dbraw/zinc/35/25/71/643352571.db2.gz GPKLUXYQXOAJEU-LLVKDONJSA-N 2 0 224.373 1.961 20 0 BDADRP CC[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000234064823 643393980 /nfs/dbraw/zinc/39/39/80/643393980.db2.gz NQOSSNKQFRMFJO-AGIUHOORSA-N 2 0 210.365 1.964 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+]Cc1cc[nH]c(=O)c1 ZINC000921522409 643582228 /nfs/dbraw/zinc/58/22/28/643582228.db2.gz QHLJVOKLPLXTDD-UHFFFAOYSA-N 2 0 237.347 1.607 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCCCCCO ZINC000236212697 643619640 /nfs/dbraw/zinc/61/96/40/643619640.db2.gz PQKWESGDHDSOGZ-NEPJUHHUSA-N 2 0 214.353 1.256 20 0 BDADRP C[C@@H]1C[NH+](CC[C@@H]2CCC[NH2+]C2)C[C@H]1C ZINC000086010126 643628346 /nfs/dbraw/zinc/62/83/46/643628346.db2.gz DCNNKDRYHHZHSO-UPJWGTAASA-N 2 0 210.365 1.964 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccncc1 ZINC000084218145 643650083 /nfs/dbraw/zinc/65/00/83/643650083.db2.gz ZHTRZCMQAJFFHQ-NEPJUHHUSA-N 2 0 205.305 1.299 20 0 BDADRP Cc1ccc(C[NH2+]CCN2CC[NH2+]CC2)s1 ZINC000050226776 643651864 /nfs/dbraw/zinc/65/18/64/643651864.db2.gz QVBPHHWNKYBVHZ-UHFFFAOYSA-N 2 0 239.388 1.051 20 0 BDADRP C[NH+](C)CCCC[NH2+]C[C@@H]1CCC=CO1 ZINC000050269713 643673655 /nfs/dbraw/zinc/67/36/55/643673655.db2.gz WHNPZXBDCAKOQM-LBPRGKRZSA-N 2 0 212.337 1.611 20 0 BDADRP C[C@@H]1CSCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000085016057 643678942 /nfs/dbraw/zinc/67/89/42/643678942.db2.gz ZQNWILQGGKNDCP-MXWKQRLJSA-N 2 0 214.378 1.551 20 0 BDADRP CN1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC1(C)C ZINC000085015931 643679331 /nfs/dbraw/zinc/67/93/31/643679331.db2.gz NQMZTCROVCVLPV-NEPJUHHUSA-N 2 0 225.380 1.140 20 0 BDADRP CCOCC[N@H+](C)C1CCC([NH3+])CC1 ZINC000085869986 643823937 /nfs/dbraw/zinc/82/39/37/643823937.db2.gz UJVDZCHUAZMDLA-UHFFFAOYSA-N 2 0 200.326 1.225 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000922820756 644109939 /nfs/dbraw/zinc/10/99/39/644109939.db2.gz JIDJALRDXCYLIM-RDBSUJKOSA-N 2 0 240.391 1.754 20 0 BDADRP C[NH2+][C@@H]1CCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923277675 644308653 /nfs/dbraw/zinc/30/86/53/644308653.db2.gz JVRMJGBBGASIJO-WTUNAVPPSA-N 2 0 237.391 1.201 20 0 BDADRP C(C1CC1)[C@H]1COCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000923275794 644309992 /nfs/dbraw/zinc/30/99/92/644309992.db2.gz WWEGXWWNDLVCIN-AWEZNQCLSA-N 2 0 238.375 1.487 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@H+](C[C@H](O)CCC(C)C)C1 ZINC000923280557 644315548 /nfs/dbraw/zinc/31/55/48/644315548.db2.gz BOMXGPHNQKFSLG-ZIAGYGMSSA-N 2 0 242.407 1.715 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000923280936 644316206 /nfs/dbraw/zinc/31/62/06/644316206.db2.gz KHKGPZYFMKSRQK-MFKMUULPSA-N 2 0 238.306 1.140 20 0 BDADRP Cc1ccc([C@H](O)C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000923286844 644320534 /nfs/dbraw/zinc/32/05/34/644320534.db2.gz ARGXGGDRKJTYEO-NWANDNLSSA-N 2 0 248.370 1.698 20 0 BDADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923300081 644325785 /nfs/dbraw/zinc/32/57/85/644325785.db2.gz NQXBTPRJXNFACZ-NEPJUHHUSA-N 2 0 224.348 1.239 20 0 BDADRP CCOCCOCC[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000923290530 644326962 /nfs/dbraw/zinc/32/69/62/644326962.db2.gz YNUBTKUYJKVDIE-OLZOCXBDSA-N 2 0 244.379 1.099 20 0 BDADRP C[N@H+](CCC[NH3+])C[C@@H](O)c1ccc(F)c(F)c1 ZINC000923290838 644327233 /nfs/dbraw/zinc/32/72/33/644327233.db2.gz LSNUEHQTTRWKQA-GFCCVEGCSA-N 2 0 244.285 1.279 20 0 BDADRP CCC[N@H+](CC1CC1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923300295 644330397 /nfs/dbraw/zinc/33/03/97/644330397.db2.gz QNBGCWXPVKCUGO-ZDUSSCGKSA-N 2 0 238.375 1.487 20 0 BDADRP CC(C)OCC[C@H](O)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000923297067 644336177 /nfs/dbraw/zinc/33/61/77/644336177.db2.gz XJZVKTRPDDXQBE-QWHCGFSZSA-N 2 0 246.395 1.125 20 0 BDADRP CCC1(CC)CC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923312767 644341942 /nfs/dbraw/zinc/34/19/42/644341942.db2.gz LEPCDYKCLSRUBS-SRVKXCTJSA-N 2 0 226.364 1.349 20 0 BDADRP CCC[C@@]1(C)CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923315494 644343566 /nfs/dbraw/zinc/34/35/66/644343566.db2.gz HXICIJRDSRWTIV-XUXIUFHCSA-N 2 0 240.391 1.739 20 0 BDADRP C[C@H]([N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1)C1(C)CC1 ZINC000923317214 644345126 /nfs/dbraw/zinc/34/51/26/644345126.db2.gz BZWXJHOWKANBPZ-NWDGAFQWSA-N 2 0 238.375 1.485 20 0 BDADRP C[C@@H]1CC[C@@H](C)[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923316595 644345134 /nfs/dbraw/zinc/34/51/34/644345134.db2.gz PJCHNKKIEMQXAJ-UPJWGTAASA-N 2 0 238.375 1.485 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC000923331083 644349824 /nfs/dbraw/zinc/34/98/24/644349824.db2.gz KFTREHQGCCXEHR-QEJZJMRPSA-N 2 0 248.370 1.259 20 0 BDADRP C[C@@H]1C[C@@H](N(C)CCC[NH2+]C2CC2)CC[N@@H+]1C ZINC000923324341 644352902 /nfs/dbraw/zinc/35/29/02/644352902.db2.gz FKXSEZODCNLUIZ-OCCSQVGLSA-N 2 0 239.407 1.543 20 0 BDADRP CCc1ncc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)o1 ZINC000923333403 644354197 /nfs/dbraw/zinc/35/41/97/644354197.db2.gz QOVMZNYVLZJOMD-DRZSPHRISA-N 2 0 249.358 1.796 20 0 BDADRP C(C[NH2+]C1CC1)CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000923365214 644374471 /nfs/dbraw/zinc/37/44/71/644374471.db2.gz CVEODCMYXISXRK-CQSZACIVSA-N 2 0 237.391 1.204 20 0 BDADRP CC1(C)CCC[C@@H]1[NH2+][C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923376347 644391390 /nfs/dbraw/zinc/39/13/90/644391390.db2.gz AETOUCQKMGGOAL-NAKRPEOUSA-N 2 0 212.337 1.005 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1)c1ccccn1 ZINC000923376449 644391956 /nfs/dbraw/zinc/39/19/56/644391956.db2.gz AXEVGETUNHYUTL-NEPJUHHUSA-N 2 0 247.342 1.111 20 0 BDADRP C[N@H+](CCC(C)(C)C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923384718 644395544 /nfs/dbraw/zinc/39/55/44/644395544.db2.gz LTRYIMLZBSRSEL-DCAQKATOSA-N 2 0 214.353 1.205 20 0 BDADRP CSC[C@H](O)C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000923385391 644398274 /nfs/dbraw/zinc/39/82/74/644398274.db2.gz APDOCBFYKHQBSB-QJPTWQEYSA-N 2 0 246.420 1.160 20 0 BDADRP CC1(F)CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000923417837 644408928 /nfs/dbraw/zinc/40/89/28/644408928.db2.gz YIQWUAHNKUBKNC-UHFFFAOYSA-N 2 0 214.328 1.953 20 0 BDADRP CCc1onc(C)c1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923412272 644415036 /nfs/dbraw/zinc/41/50/36/644415036.db2.gz QQRNKRCQTKOHDP-MWLCHTKSSA-N 2 0 237.347 1.572 20 0 BDADRP COCC1([N@H+](C)CCC[NH2+]C2CC2)CCC1 ZINC000923422353 644419615 /nfs/dbraw/zinc/41/96/15/644419615.db2.gz QGEXMAUXDULGJT-UHFFFAOYSA-N 2 0 226.364 1.629 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000923422844 644420239 /nfs/dbraw/zinc/42/02/39/644420239.db2.gz TWUWCNWXICBORD-MJBXVCDLSA-N 2 0 248.370 1.305 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]C[C@H](O)CC(F)(F)F ZINC000923423188 644420483 /nfs/dbraw/zinc/42/04/83/644420483.db2.gz VTXAQCNHGRFQSK-BWZBUEFSSA-N 2 0 240.269 1.015 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]C[C@H](O)Cc1ccccc1 ZINC000923422843 644420629 /nfs/dbraw/zinc/42/06/29/644420629.db2.gz TWUWCNWXICBORD-MGPQQGTHSA-N 2 0 248.370 1.305 20 0 BDADRP C(CN[C@@H]1CC[NH2+]C12CCCC2)C[NH2+]C1CC1 ZINC000923428220 644421788 /nfs/dbraw/zinc/42/17/88/644421788.db2.gz NXKNSNJMDOHFSM-CYBMUJFWSA-N 2 0 237.391 1.393 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000923478515 644457360 /nfs/dbraw/zinc/45/73/60/644457360.db2.gz DCDPDLPWIOTFBN-OLZOCXBDSA-N 2 0 238.375 1.616 20 0 BDADRP COc1ccc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cn1 ZINC000923492131 644467017 /nfs/dbraw/zinc/46/70/17/644467017.db2.gz WFECFTXNQIEJHZ-WCQYABFASA-N 2 0 249.358 1.507 20 0 BDADRP Cc1ncc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)s1 ZINC000923491524 644467604 /nfs/dbraw/zinc/46/76/04/644467604.db2.gz IJNTWSCYKIBMPV-MWLCHTKSSA-N 2 0 239.388 1.868 20 0 BDADRP Cc1cncc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923492126 644467981 /nfs/dbraw/zinc/46/79/81/644467981.db2.gz WCQBAUJOMBFRTJ-JSGCOSHPSA-N 2 0 233.359 1.807 20 0 BDADRP CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923491972 644468494 /nfs/dbraw/zinc/46/84/94/644468494.db2.gz LODROAWEJYRNKU-LOWDOPEQSA-N 2 0 210.365 1.949 20 0 BDADRP CCc1ncc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)o1 ZINC000923493769 644470339 /nfs/dbraw/zinc/47/03/39/644470339.db2.gz VEKRNWSREHVWKS-GHMZBOCLSA-N 2 0 237.347 1.654 20 0 BDADRP C[C@@H]1C[N@H+](CCOC2CC2)CC[C@H]1C[NH3+] ZINC000923494139 644470982 /nfs/dbraw/zinc/47/09/82/644470982.db2.gz VWSVTDASHBKGGH-MNOVXSKESA-N 2 0 212.337 1.082 20 0 BDADRP Cc1noc([C@H](C)[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)n1 ZINC000923498792 644472484 /nfs/dbraw/zinc/47/24/84/644472484.db2.gz LPVDSHWCIUJCCC-ATZCPNFKSA-N 2 0 238.335 1.356 20 0 BDADRP C[C@@H]1C[N@H+](Cc2nccs2)CC[C@H]1C[NH3+] ZINC000923499861 644473322 /nfs/dbraw/zinc/47/33/22/644473322.db2.gz MNVSBTQMRLYCKX-ZJUUUORDSA-N 2 0 225.361 1.560 20 0 BDADRP CCCN(C(=O)CCCCC[NH3+])[C@H]1CC[NH2+]C1 ZINC000187176983 644473939 /nfs/dbraw/zinc/47/39/39/644473939.db2.gz DTFXBAWWJYXYKP-LBPRGKRZSA-N 2 0 241.379 1.106 20 0 BDADRP Cc1cnc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cn1 ZINC000923500858 644475146 /nfs/dbraw/zinc/47/51/46/644475146.db2.gz PPXJUXGMZIOESH-PWSUYJOCSA-N 2 0 234.347 1.202 20 0 BDADRP OCC[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923505896 644475694 /nfs/dbraw/zinc/47/56/94/644475694.db2.gz DGGPFAODBYRITI-GFCCVEGCSA-N 2 0 226.364 1.080 20 0 BDADRP CCSCC[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923500920 644475938 /nfs/dbraw/zinc/47/59/38/644475938.db2.gz RXVCPKWUQUUORN-GHMZBOCLSA-N 2 0 216.394 1.656 20 0 BDADRP [NH3+]CCN1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923508990 644477596 /nfs/dbraw/zinc/47/75/96/644477596.db2.gz YCFHYZGLHJGKFQ-GFCCVEGCSA-N 3 0 225.380 1.047 20 0 BDADRP CO[C@@H](C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1)C1CCCC1 ZINC000923515636 644480833 /nfs/dbraw/zinc/48/08/33/644480833.db2.gz COURQZODCCVTPV-BNOWGMLFSA-N 2 0 240.391 1.718 20 0 BDADRP [NH3+]CCCCCCN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923534011 644489242 /nfs/dbraw/zinc/48/92/42/644489242.db2.gz QJGKFHLQTKVSHV-CQSZACIVSA-N 2 0 239.407 1.724 20 0 BDADRP C([C@H]1CCC[NH2+]C1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923533386 644490015 /nfs/dbraw/zinc/49/00/15/644490015.db2.gz KTQCFXYRMHFLOE-KBPBESRZSA-N 2 0 237.391 1.204 20 0 BDADRP C(C[N@@H+]1CCOC[C@@H]1CC1CC1)[C@H]1CC[NH2+]C1 ZINC000923555236 644498057 /nfs/dbraw/zinc/49/80/57/644498057.db2.gz RXHLRUFMQVJSNM-KGLIPLIRSA-N 2 0 238.375 1.487 20 0 BDADRP CCn1cnc2c1CC[N@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000923558859 644498579 /nfs/dbraw/zinc/49/85/79/644498579.db2.gz YECPICBIMVTRLD-GFCCVEGCSA-N 2 0 248.374 1.261 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](CCc2ccc3c(c2)CCO3)C1 ZINC000088103060 644509590 /nfs/dbraw/zinc/50/95/90/644509590.db2.gz MNQGGGVWZRCXOS-CYBMUJFWSA-N 2 0 246.354 1.445 20 0 BDADRP CC(C)(C)[NH2+]CC[NH2+]C1CCC([NH3+])CC1 ZINC000230973755 644529871 /nfs/dbraw/zinc/52/98/71/644529871.db2.gz KBJWJJXLOWDEJA-UHFFFAOYSA-N 3 0 213.369 1.234 20 0 BDADRP CCN1CCC([N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091546525 644629351 /nfs/dbraw/zinc/62/93/51/644629351.db2.gz CJCWMAGNRFSVKL-OLZOCXBDSA-N 2 0 239.407 1.530 20 0 BDADRP c1cnn(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000093452815 644692426 /nfs/dbraw/zinc/69/24/26/644692426.db2.gz LMZKQSRGHPFMTO-MCIONIFRSA-N 2 0 248.374 1.393 20 0 BDADRP CC(C)(C)[NH2+]CCN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094439245 644718605 /nfs/dbraw/zinc/71/86/05/644718605.db2.gz BPOFBYPTHYYQNR-CYBMUJFWSA-N 2 0 239.407 1.545 20 0 BDADRP CN1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000250646972 644773217 /nfs/dbraw/zinc/77/32/17/644773217.db2.gz VOVQYJIHGROAPL-IGQOVBAYSA-N 2 0 237.391 1.201 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]CCCC[NH+](C)C)[C@H]1OC ZINC000252777097 644904683 /nfs/dbraw/zinc/90/46/83/644904683.db2.gz KSCMSMLDYOVXHE-YNEHKIRRSA-N 2 0 244.379 1.110 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)[C@H]1OC ZINC000252777096 644905674 /nfs/dbraw/zinc/90/56/74/644905674.db2.gz KSCMSMLDYOVXHE-JHJVBQTASA-N 2 0 244.379 1.110 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCCCC[NH2+]1)[C@H]1CCOC1 ZINC000253077771 644933805 /nfs/dbraw/zinc/93/38/05/644933805.db2.gz SJZCSXXCVTXAQX-RWMBFGLXSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H]1CC[N@H+](Cc2ccncc2)C[C@H]1C[NH3+] ZINC000253199137 644943398 /nfs/dbraw/zinc/94/33/98/644943398.db2.gz WENUFAAYZKWSAW-WCQYABFASA-N 2 0 219.332 1.498 20 0 BDADRP C[C@@H]1OC[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)[C@@H]1C ZINC000926566883 645286692 /nfs/dbraw/zinc/28/66/92/645286692.db2.gz GGYMALMQRRVNEN-SUNKGSAMSA-N 2 0 245.326 1.847 20 0 BDADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)C(C)(C)CO ZINC000926606428 645311810 /nfs/dbraw/zinc/31/18/10/645311810.db2.gz KMTAVEJQNSDNSS-HIFPTAJRSA-N 2 0 242.407 1.856 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000926645296 645332009 /nfs/dbraw/zinc/33/20/09/645332009.db2.gz BGUYQLFAMHKJKU-NTNDZAACSA-N 2 0 236.359 1.236 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)C(C)(C)CO ZINC000926751989 645401857 /nfs/dbraw/zinc/40/18/57/645401857.db2.gz BWDAUVRIPRBPCH-OLZOCXBDSA-N 2 0 242.407 1.715 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@@H]1CC[NH2+]C12CCC2 ZINC000925488016 645500041 /nfs/dbraw/zinc/50/00/41/645500041.db2.gz ANABVBQKHQMNMZ-QWHCGFSZSA-N 2 0 239.407 1.591 20 0 BDADRP COCCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925494192 645732145 /nfs/dbraw/zinc/73/21/45/645732145.db2.gz IZABAMKFXIHEMT-ZIAGYGMSSA-N 2 0 240.391 1.781 20 0 BDADRP COCCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925494186 645732166 /nfs/dbraw/zinc/73/21/66/645732166.db2.gz IZABAMKFXIHEMT-KGLIPLIRSA-N 2 0 240.391 1.781 20 0 BDADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000884371920 645874726 /nfs/dbraw/zinc/87/47/26/645874726.db2.gz BRBSKTCCPMHNGI-GARJFASQSA-N 2 0 243.395 1.238 20 0 BDADRP CC[N@H+](CCNC(=[NH2+])NC(C)(C)C)C1CC1 ZINC000221886985 645894238 /nfs/dbraw/zinc/89/42/38/645894238.db2.gz XSCOVWUJPGKVKC-UHFFFAOYSA-N 2 0 226.368 1.383 20 0 BDADRP COCC[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925500795 645943323 /nfs/dbraw/zinc/94/33/23/645943323.db2.gz FNAOIOFGYKNETG-CYBMUJFWSA-N 2 0 222.332 1.703 20 0 BDADRP C[NH+](C)CCC[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000924538907 646060438 /nfs/dbraw/zinc/06/04/38/646060438.db2.gz FMJKCWTYXVDYLM-XQQFMLRXSA-N 2 0 208.349 1.882 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCCC[NH+](C)C)c2ncnn21 ZINC000924853112 646118721 /nfs/dbraw/zinc/11/87/21/646118721.db2.gz IKUXGGWAWWNFMA-QWRGUYRKSA-N 2 0 237.351 1.215 20 0 BDADRP CC(C)[C@@H]1COCC[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000924854930 646119257 /nfs/dbraw/zinc/11/92/57/646119257.db2.gz OGICFSRLOXHNFT-KBPBESRZSA-N 2 0 242.407 1.979 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000924852724 646119972 /nfs/dbraw/zinc/11/99/72/646119972.db2.gz KTBASHSJUOKYIB-FEPKRQSRSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H](CN[C@H]1CC[NH2+]C1(C)C)C[NH+]1CCCC1 ZINC000925481082 646291517 /nfs/dbraw/zinc/29/15/17/646291517.db2.gz OFYHCBGUJNVMTM-STQMWFEESA-N 2 0 239.407 1.448 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1CCC1 ZINC000925484456 646297489 /nfs/dbraw/zinc/29/74/89/646297489.db2.gz FQBPZJLVEHDJRX-MPEURRAXSA-N 2 0 208.349 1.892 20 0 BDADRP c1cncc(OCCN[C@H]2CC[NH2+]C23CCC3)c1 ZINC000925488489 646299341 /nfs/dbraw/zinc/29/93/41/646299341.db2.gz JGNABGHJZSDLJU-ZDUSSCGKSA-N 2 0 247.342 1.335 20 0 BDADRP COCCC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925497019 646301503 /nfs/dbraw/zinc/30/15/03/646301503.db2.gz ZMCAFSAPWIMMHU-MNOVXSKESA-N 2 0 214.353 1.519 20 0 BDADRP C[C@H](O)CC[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925499192 646303237 /nfs/dbraw/zinc/30/32/37/646303237.db2.gz MQUXSDZXXGRPCU-JSGCOSHPSA-N 2 0 236.359 1.827 20 0 BDADRP C[C@@H](O)CC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925499033 646303380 /nfs/dbraw/zinc/30/33/80/646303380.db2.gz LRSMJBRUWMAUNR-WYUUTHIRSA-N 2 0 226.364 1.124 20 0 BDADRP C[C@H](O)CC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925499622 646303525 /nfs/dbraw/zinc/30/35/25/646303525.db2.gz RLZMDCBZYXVGCF-UBHSHLNASA-N 2 0 240.391 1.515 20 0 BDADRP C[C@@H]([NH3+])[C@H](NCCC[NH+](C)C)c1ccccc1 ZINC000925500652 646304591 /nfs/dbraw/zinc/30/45/91/646304591.db2.gz DJNIYLKMQTWAQR-OCCSQVGLSA-N 2 0 235.375 1.616 20 0 BDADRP CC[NH+](CC)CCN[C@@H]1CC[NH2+]C12CCC2 ZINC000925502596 646305499 /nfs/dbraw/zinc/30/54/99/646305499.db2.gz MESABDJDFQGRTG-GFCCVEGCSA-N 2 0 225.380 1.202 20 0 BDADRP C[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)C[C@H](C)O ZINC000925511184 646308131 /nfs/dbraw/zinc/30/81/31/646308131.db2.gz IGRAQTHYBAQFQN-GRYCIOLGSA-N 2 0 226.364 1.268 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccccc2CO)C12CCC2 ZINC000925507830 646308816 /nfs/dbraw/zinc/30/88/16/646308816.db2.gz NPFVQPPRXVGZAG-UONOGXRCSA-N 2 0 246.354 1.538 20 0 BDADRP C[C@H](O)C[C@H](C)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925511464 646309218 /nfs/dbraw/zinc/30/92/18/646309218.db2.gz NNMSRXDEWWTNNQ-DCAQKATOSA-N 2 0 214.353 1.124 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925517336 646312637 /nfs/dbraw/zinc/31/26/37/646312637.db2.gz ADIYWFAWKURPPE-LBPRGKRZSA-N 3 0 225.380 1.202 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925519888 646312734 /nfs/dbraw/zinc/31/27/34/646312734.db2.gz KEXVINQMZPIRQM-CHWSQXEVSA-N 3 0 241.423 1.824 20 0 BDADRP C[C@@H]1C[C@@H](N[C@@H]2CC[NH2+]C2(C)C)C[N@@H+]1C1CC1 ZINC000925542190 646324435 /nfs/dbraw/zinc/32/44/35/646324435.db2.gz NZMZVCXGVNYZIW-NQBHXWOUSA-N 2 0 237.391 1.342 20 0 BDADRP CC1CC[NH+](CCN[C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925548113 646326086 /nfs/dbraw/zinc/32/60/86/646326086.db2.gz QTOOHXRPZYZONO-ZDUSSCGKSA-N 2 0 239.407 1.448 20 0 BDADRP CC1CC[NH+](CCN[C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925548111 646327677 /nfs/dbraw/zinc/32/76/77/646327677.db2.gz QTOOHXRPZYZONO-CYBMUJFWSA-N 2 0 239.407 1.448 20 0 BDADRP COCCCC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925551619 646328416 /nfs/dbraw/zinc/32/84/16/646328416.db2.gz CMKIZHYIQBZMRP-NEPJUHHUSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925551608 646330028 /nfs/dbraw/zinc/33/00/28/646330028.db2.gz CGPRXPCFOUGNTJ-YVECIDJPSA-N 2 0 238.375 1.661 20 0 BDADRP Cc1ccc(CC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)cn1 ZINC000925573246 646341507 /nfs/dbraw/zinc/34/15/07/646341507.db2.gz NIWJXHUTAHPWLL-ZIAGYGMSSA-N 2 0 245.370 1.792 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000925584279 646347377 /nfs/dbraw/zinc/34/73/77/646347377.db2.gz KHJPQOTYFNFSLG-ZYHUDNBSSA-N 2 0 208.349 1.907 20 0 BDADRP CC(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925604120 646354769 /nfs/dbraw/zinc/35/47/69/646354769.db2.gz HTJORNCUTFHXEC-XQQFMLRXSA-N 2 0 240.391 1.778 20 0 BDADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCOC3CC3)CC[C@H]21 ZINC000929842875 646355952 /nfs/dbraw/zinc/35/59/52/646355952.db2.gz DYPYUUZPRMEATO-TZMCWYRMSA-N 2 0 238.375 1.582 20 0 BDADRP CC[C@@H](CN[C@H]1CC[NH2+]C1(C)C)[NH+]1CCCC1 ZINC000925606777 646357775 /nfs/dbraw/zinc/35/77/75/646357775.db2.gz QGCJBDYNRWSXCE-STQMWFEESA-N 2 0 239.407 1.591 20 0 BDADRP OCC1CCC([NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925612887 646363202 /nfs/dbraw/zinc/36/32/02/646363202.db2.gz VUJOJSWPPTVNAQ-BPCQOVAHSA-N 2 0 238.375 1.412 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C2(C)C)CCO1 ZINC000925631162 646369713 /nfs/dbraw/zinc/36/97/13/646369713.db2.gz SWDPTUNMPQCKAY-VWYCJHECSA-N 2 0 212.337 1.284 20 0 BDADRP C[C@@H](O)C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925629290 646373334 /nfs/dbraw/zinc/37/33/34/646373334.db2.gz IPBKKDKOVLQIOX-RTXFEEFZSA-N 2 0 226.364 1.125 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925630048 646374590 /nfs/dbraw/zinc/37/45/90/646374590.db2.gz PYDWSHOPJKOGHM-NWDGAFQWSA-N 2 0 226.364 1.269 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925633695 646377713 /nfs/dbraw/zinc/37/77/13/646377713.db2.gz GKFGSSHJHRXNMT-NNYUYHANSA-N 2 0 228.380 1.641 20 0 BDADRP C/C=C\C[C@H](CO)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925640737 646381771 /nfs/dbraw/zinc/38/17/71/646381771.db2.gz IYLLXTNIYBSQMI-RGIBJUCOSA-N 2 0 240.391 1.809 20 0 BDADRP CC[C@@H](CO)[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925643668 646383799 /nfs/dbraw/zinc/38/37/99/646383799.db2.gz GYVZRAMNGYGLDT-IHRRRGAJSA-N 2 0 240.391 1.515 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+][C@H]2CCCC[C@@H]2O)C1 ZINC000925646300 646386245 /nfs/dbraw/zinc/38/62/45/646386245.db2.gz SJHZHQJSRXHLQZ-CYDGBPFRSA-N 2 0 240.391 1.786 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOC2CC2)[C@@H](C)C1 ZINC000929998099 646389402 /nfs/dbraw/zinc/38/94/02/646389402.db2.gz BRKIODGYLBLTSR-JSGCOSHPSA-N 2 0 240.391 1.828 20 0 BDADRP CCOC1CC(CC[NH2+][C@H]2CC[NH2+]C2(C)C)C1 ZINC000925648612 646389369 /nfs/dbraw/zinc/38/93/69/646389369.db2.gz CZOPEWFGVZCITN-BPCQOVAHSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H](O)CCC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925657845 646391167 /nfs/dbraw/zinc/39/11/67/646391167.db2.gz QAVDYTYXKFYPFR-VOAKCMCISA-N 2 0 240.391 1.514 20 0 BDADRP CC(C)[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)C(C)(C)O ZINC000925657978 646393883 /nfs/dbraw/zinc/39/38/83/646393883.db2.gz MAYSDFVWRCKUMP-TUAOUCFPSA-N 2 0 240.391 1.641 20 0 BDADRP FC(F)OCCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925664855 646397938 /nfs/dbraw/zinc/39/79/38/646397938.db2.gz HKYLACJZSIPWJU-VIFPVBQESA-N 2 0 234.290 1.490 20 0 BDADRP C[C@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@@H]1CCCOC1)[NH2+]2 ZINC000925667704 646398943 /nfs/dbraw/zinc/39/89/43/646398943.db2.gz DYCPQVFOXOROTN-KIJLLGNVSA-N 2 0 224.348 1.284 20 0 BDADRP C[C@@H]1COCC[C@@H]1C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925670122 646399810 /nfs/dbraw/zinc/39/98/10/646399810.db2.gz IDPJKLRRSUEQQW-NDBYEHHHSA-N 2 0 238.375 1.519 20 0 BDADRP C[C@@H](C[NH+](C)C)N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925671753 646399916 /nfs/dbraw/zinc/39/99/16/646399916.db2.gz FPNSJTUYWPDHLM-QJPTWQEYSA-N 2 0 227.396 1.432 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000925671936 646402047 /nfs/dbraw/zinc/40/20/47/646402047.db2.gz FWPMWRIIPZXUKV-VIFPVBQESA-N 2 0 218.291 1.762 20 0 BDADRP FC1(F)CC(C[NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000925672596 646402065 /nfs/dbraw/zinc/40/20/65/646402065.db2.gz IJSBAWAMBZGNES-JTQLQIEISA-N 2 0 230.302 1.906 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925674607 646403591 /nfs/dbraw/zinc/40/35/91/646403591.db2.gz SJOZFVHCSMPANR-STQMWFEESA-N 2 0 240.391 1.515 20 0 BDADRP CC(C)(CO)CC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925678946 646407586 /nfs/dbraw/zinc/40/75/86/646407586.db2.gz GFETWHRKYLRRCL-NEPJUHHUSA-N 2 0 242.407 1.891 20 0 BDADRP COCC[C@@H](C)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925685335 646410826 /nfs/dbraw/zinc/41/08/26/646410826.db2.gz IJTFTOKFTXHWNJ-CHWSQXEVSA-N 2 0 240.391 1.923 20 0 BDADRP COCC[C@H](C)C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925686932 646413257 /nfs/dbraw/zinc/41/32/57/646413257.db2.gz XQEAVQGJTCPWBC-SDDRHHMPSA-N 2 0 226.364 1.519 20 0 BDADRP C(C[NH2+][C@H]1CC[NH2+]C12CCC2)C[C@@H]1CCOC1 ZINC000925687225 646413444 /nfs/dbraw/zinc/41/34/44/646413444.db2.gz GLIYOLTXSURJQB-OLZOCXBDSA-N 2 0 238.375 1.677 20 0 BDADRP CC(C)[NH2+]CCCN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925689529 646416048 /nfs/dbraw/zinc/41/60/48/646416048.db2.gz BLPMFWOYJJWEEH-OLZOCXBDSA-N 2 0 241.423 1.870 20 0 BDADRP C[C@H](N)[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccccc1 ZINC000925689533 646416664 /nfs/dbraw/zinc/41/66/64/646416664.db2.gz BLRBEMNOGAAKLZ-LLGZUXRYSA-N 2 0 247.386 1.934 20 0 BDADRP C[C@H]([NH3+])[C@@H](NC[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000925690190 646417027 /nfs/dbraw/zinc/41/70/27/646417027.db2.gz GDIFWBFXCZVNSZ-KCQAQPDRSA-N 2 0 247.386 1.664 20 0 BDADRP CC[NH2+]CCCN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925690515 646417289 /nfs/dbraw/zinc/41/72/89/646417289.db2.gz KDIWVGBSVXKOET-AGIUHOORSA-N 2 0 239.407 1.352 20 0 BDADRP O[C@@H]1CCC[C@H]1C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925692202 646418414 /nfs/dbraw/zinc/41/84/14/646418414.db2.gz NDXPBUYYPSEFFT-XQQFMLRXSA-N 2 0 238.375 1.412 20 0 BDADRP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)[C@@H](C)O ZINC000925694076 646418558 /nfs/dbraw/zinc/41/85/58/646418558.db2.gz SSKFBZXPLPUYCB-KXNHARMFSA-N 2 0 228.380 1.641 20 0 BDADRP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCC[C@H]2O)C[C@@H]([NH3+])C1 ZINC000925693016 646418565 /nfs/dbraw/zinc/41/85/65/646418565.db2.gz QMLFFXRCOYRRSM-QNWHQSFQSA-N 2 0 240.391 1.643 20 0 BDADRP C[C@H]([NH3+])c1ccc(CN[C@H]2CC[NH2+]C2(C)C)cc1 ZINC000925697365 646421265 /nfs/dbraw/zinc/42/12/65/646421265.db2.gz FBROYDNPEQTPCI-FZMZJTMJSA-N 2 0 247.386 1.936 20 0 BDADRP [NH3+][C@H](CN[C@@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000925695796 646422011 /nfs/dbraw/zinc/42/20/11/646422011.db2.gz XOSGOILXEBHXFL-ZIAGYGMSSA-N 2 0 245.370 1.561 20 0 BDADRP CC(C)[NH2+]CCCN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925695739 646422092 /nfs/dbraw/zinc/42/20/92/646422092.db2.gz WJZFHJYNZWASFM-NEPJUHHUSA-N 2 0 225.380 1.234 20 0 BDADRP C[C@H]([NH3+])[C@H](N[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000925700434 646424743 /nfs/dbraw/zinc/42/47/43/646424743.db2.gz PMDBFEZEFAGNLF-QEJZJMRPSA-N 2 0 247.386 1.807 20 0 BDADRP [NH3+][C@@H]1C[C@H]2COC[C@@H](C1)[C@@H]2[NH2+]CC1=CCCC1 ZINC000925704172 646428913 /nfs/dbraw/zinc/42/89/13/646428913.db2.gz BPHHVQKYICPGEX-COVPZLACSA-N 2 0 236.359 1.439 20 0 BDADRP COCC1(CC[NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925704703 646428950 /nfs/dbraw/zinc/42/89/50/646428950.db2.gz JHSGHXRUDBRINS-LBPRGKRZSA-N 2 0 238.375 1.677 20 0 BDADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)C(C)(C)CO ZINC000925704435 646428996 /nfs/dbraw/zinc/42/89/96/646428996.db2.gz GYTTUEUYRGHBPX-NSHDSACASA-N 2 0 226.364 1.245 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000925709311 646433961 /nfs/dbraw/zinc/43/39/61/646433961.db2.gz HVXNUAMVCCUZDC-VUMHABIHSA-N 2 0 236.359 1.412 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C/C=C/CO)C1 ZINC000925710358 646434062 /nfs/dbraw/zinc/43/40/62/646434062.db2.gz WTQMKBNMIKBNEC-YIZUVKHSSA-N 2 0 212.337 1.031 20 0 BDADRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ncc[nH]1 ZINC000925711818 646435671 /nfs/dbraw/zinc/43/56/71/646435671.db2.gz SHXQHORKBVTBDF-GHMZBOCLSA-N 2 0 222.336 1.593 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@H]2CC[NH2+]C2(C)C)C1 ZINC000925716588 646440275 /nfs/dbraw/zinc/44/02/75/646440275.db2.gz AUBYNPKNTQUZQA-AXFHLTTASA-N 2 0 212.337 1.142 20 0 BDADRP C[NH2+]C[C@H](C)N[C@H](CCC[NH3+])c1ccccc1 ZINC000925716193 646440345 /nfs/dbraw/zinc/44/03/45/646440345.db2.gz LSJOCIWSVLWGBP-GXTWGEPZSA-N 2 0 235.375 1.664 20 0 BDADRP C1C[C@@H]([NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)C[NH2+]1 ZINC000925717863 646441967 /nfs/dbraw/zinc/44/19/67/646441967.db2.gz IKDLSDAPGWVDFN-UMSGYPCISA-N 2 0 224.348 1.143 20 0 BDADRP C[NH2+]C[C@H](C)N[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925717385 646443014 /nfs/dbraw/zinc/44/30/14/646443014.db2.gz TYQVZHKQMOULDM-DCAQKATOSA-N 2 0 213.369 1.090 20 0 BDADRP C1CC2(C1)[NH2+]CC[C@H]2N[C@@H]1CC[NH2+]C12CCCC2 ZINC000925722932 646447882 /nfs/dbraw/zinc/44/78/82/646447882.db2.gz LTOGEHQMWSYLDW-CHWSQXEVSA-N 2 0 249.402 1.535 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000925726623 646452274 /nfs/dbraw/zinc/45/22/74/646452274.db2.gz VANBZDIUFKPUDN-AVGNSLFASA-N 2 0 239.407 1.495 20 0 BDADRP [NH3+]CCC[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccccc1 ZINC000925728447 646453785 /nfs/dbraw/zinc/45/37/85/646453785.db2.gz VGSNLNUEOHAWSE-CFVMTHIKSA-N 3 0 247.386 1.794 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCc1ccns1 ZINC000925730744 646454834 /nfs/dbraw/zinc/45/48/34/646454834.db2.gz IHDFRYFICFIQIB-BDAKNGLRSA-N 2 0 213.350 1.401 20 0 BDADRP COCC(C)(C)CC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925733029 646456415 /nfs/dbraw/zinc/45/64/15/646456415.db2.gz ZYYWNGUMVWOCMK-LLVKDONJSA-N 2 0 228.380 1.779 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925734566 646457995 /nfs/dbraw/zinc/45/79/95/646457995.db2.gz AUBYNPKNTQUZQA-GMTAPVOTSA-N 2 0 212.337 1.142 20 0 BDADRP Cc1nccnc1[C@@H](C)NCCC(C)(C)[NH3+] ZINC000925737427 646459997 /nfs/dbraw/zinc/45/99/97/646459997.db2.gz IKECIMAMJSVSOP-SECBINFHSA-N 2 0 222.336 1.563 20 0 BDADRP CC(C)([NH3+])CCN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925737355 646460435 /nfs/dbraw/zinc/46/04/35/646460435.db2.gz NBPUNJJUQYNGKW-WOPDTQHZSA-N 3 0 239.407 1.480 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@@H](C)C[C@@H](C)[NH3+])C1 ZINC000925736064 646460571 /nfs/dbraw/zinc/46/05/71/646460571.db2.gz KVQOJACLCLJAAU-LMLFDSFASA-N 2 0 200.326 1.127 20 0 BDADRP Cc1nn(C)cc1[C@@H](C)[NH2+]CCC(C)(C)[NH3+] ZINC000925741479 646462576 /nfs/dbraw/zinc/46/25/76/646462576.db2.gz SECFPJJKIXICPX-SECBINFHSA-N 2 0 224.352 1.507 20 0 BDADRP CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CCC(C)(C)[NH3+])C1(C)C ZINC000925742681 646464736 /nfs/dbraw/zinc/46/47/36/646464736.db2.gz WTKRUWPNJIDQFJ-HBNTYKKESA-N 2 0 228.380 1.763 20 0 BDADRP CCC1([NH3+])CC[NH+]([C@H](C)CCCCO)CC1 ZINC000925760918 646466645 /nfs/dbraw/zinc/46/66/45/646466645.db2.gz UGZDZEJPUVOKKY-GFCCVEGCSA-N 2 0 228.380 1.741 20 0 BDADRP Nc1cc[nH+]c(CN[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000925767412 646468422 /nfs/dbraw/zinc/46/84/22/646468422.db2.gz OLROJDOBNHVUOA-MFKMUULPSA-N 2 0 234.347 1.271 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000925773108 646472142 /nfs/dbraw/zinc/47/21/42/646472142.db2.gz LYLBRMAHHHWZCB-SRVKXCTJSA-N 2 0 226.364 1.661 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000925775020 646472406 /nfs/dbraw/zinc/47/24/06/646472406.db2.gz YWLLULGNHZUMMF-TUAOUCFPSA-N 2 0 224.348 1.415 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000925775021 646473295 /nfs/dbraw/zinc/47/32/95/646473295.db2.gz YWLLULGNHZUMMF-UTUOFQBUSA-N 2 0 224.348 1.415 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)[C@@H]1CCCO1 ZINC000925781583 646476845 /nfs/dbraw/zinc/47/68/45/646476845.db2.gz IPJUMMLGFYJGSW-AXFHLTTASA-N 2 0 248.317 1.388 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925781277 646478063 /nfs/dbraw/zinc/47/80/63/646478063.db2.gz WMUHEONMABZYJV-DDHJBXDOSA-N 2 0 225.380 1.090 20 0 BDADRP COCC[C@H]1CCC[C@H]1[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000925785602 646481001 /nfs/dbraw/zinc/48/10/01/646481001.db2.gz PYOPGUFSUZPAAM-FDYHWXHSSA-N 2 0 226.364 1.389 20 0 BDADRP Cc1cncc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000925785538 646481440 /nfs/dbraw/zinc/48/14/40/646481440.db2.gz NZOJCSGVTPNIQI-BZPMIXESSA-N 2 0 233.359 1.896 20 0 BDADRP COCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000925785609 646481473 /nfs/dbraw/zinc/48/14/73/646481473.db2.gz PYOPGUFSUZPAAM-YVECIDJPSA-N 2 0 226.364 1.389 20 0 BDADRP CC[C@@H](NC[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000925786044 646481748 /nfs/dbraw/zinc/48/17/48/646481748.db2.gz NIRXGBOLJDZSDF-RQJABVFESA-N 2 0 239.407 1.352 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000925800283 646486467 /nfs/dbraw/zinc/48/64/67/646486467.db2.gz YHIATTDEMVERIU-RQJABVFESA-N 3 0 239.407 1.304 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCCO1 ZINC000925797446 646486867 /nfs/dbraw/zinc/48/68/67/646486867.db2.gz NZSKORXXYSVBNQ-XQHKEYJVSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925799554 646487024 /nfs/dbraw/zinc/48/70/24/646487024.db2.gz ZICHWHQXKAKQTG-LSGALXMHSA-N 3 0 237.391 1.105 20 0 BDADRP C(CCN[C@@H]1CC[NH2+]C1)CCC1CC[NH2+]CC1 ZINC000925807479 646490801 /nfs/dbraw/zinc/49/08/01/646490801.db2.gz JXFDXKWSPARLHN-CQSZACIVSA-N 2 0 239.407 1.498 20 0 BDADRP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1cccnc1 ZINC000925814094 646491566 /nfs/dbraw/zinc/49/15/66/646491566.db2.gz FQLRGCRCFAZDRU-LBPRGKRZSA-N 2 0 248.374 1.155 20 0 BDADRP C1=C[C@@H](C[NH2+][C@H]2CCC[NH2+]CC2)[C@H]2CO[C@@H]1C2 ZINC000925830113 646499992 /nfs/dbraw/zinc/49/99/92/646499992.db2.gz JBLVXRLRVNXKLE-CRWXNKLISA-N 2 0 236.359 1.309 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000925833798 646502993 /nfs/dbraw/zinc/50/29/93/646502993.db2.gz YJDOWFDDFAILIG-FQUUOJAGSA-N 2 0 238.375 1.685 20 0 BDADRP C[NH+]1CCC(NC[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000925839703 646506230 /nfs/dbraw/zinc/50/62/30/646506230.db2.gz CKKHBNZNDLELJT-ZIAGYGMSSA-N 2 0 237.391 1.202 20 0 BDADRP C([NH2+]C1CCOCC1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925843528 646508294 /nfs/dbraw/zinc/50/82/94/646508294.db2.gz QVFXHHPUIFVBID-CHWSQXEVSA-N 2 0 224.348 1.287 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000925860409 646513503 /nfs/dbraw/zinc/51/35/03/646513503.db2.gz YEZJEQXCEJMKJN-AVGNSLFASA-N 2 0 228.380 1.515 20 0 BDADRP COC[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)C(C)C ZINC000925874216 646523911 /nfs/dbraw/zinc/52/39/11/646523911.db2.gz PPZANSLQZOZGNQ-HZSPNIEDSA-N 2 0 242.407 1.883 20 0 BDADRP COC[C@H](C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1)C(C)C ZINC000925872958 646524273 /nfs/dbraw/zinc/52/42/73/646524273.db2.gz CAXYLHQSYWJRGT-AVGNSLFASA-N 2 0 228.380 1.493 20 0 BDADRP COC[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)C(C)C ZINC000925874151 646524783 /nfs/dbraw/zinc/52/47/83/646524783.db2.gz OUHCTNFYGZGFIB-AVGNSLFASA-N 2 0 228.380 1.635 20 0 BDADRP COC[C@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1)C(C)C ZINC000925872938 646524825 /nfs/dbraw/zinc/52/48/25/646524825.db2.gz BNWCDTRIAGESQK-RDBSUJKOSA-N 2 0 242.407 1.883 20 0 BDADRP CC[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCOC1 ZINC000925875024 646525891 /nfs/dbraw/zinc/52/58/91/646525891.db2.gz BRPJVQKFHLVEAJ-MROQNXINSA-N 2 0 226.364 1.519 20 0 BDADRP Cc1ccc(NCC[NH2+][C@@H](C)C[C@H](C)[NH3+])nc1 ZINC000925877042 646528065 /nfs/dbraw/zinc/52/80/65/646528065.db2.gz DNDYQAUNYHJACX-RYUDHWBXSA-N 2 0 236.363 1.517 20 0 BDADRP CCn1ccnc1[C@@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925880084 646529583 /nfs/dbraw/zinc/52/95/83/646529583.db2.gz NPFQYXSVJULYLI-UTUOFQBUSA-N 2 0 236.363 1.681 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1nccn1C ZINC000925881747 646530633 /nfs/dbraw/zinc/53/06/33/646530633.db2.gz FNKYBVQJWXLTOW-WOPDTQHZSA-N 2 0 236.363 1.588 20 0 BDADRP CC(C)CC[NH+]1CCC([NH2+][C@H](C)[C@H](C)O)CC1 ZINC000926422051 646634044 /nfs/dbraw/zinc/63/40/44/646634044.db2.gz UQOUMDCKBVAYLQ-OLZOCXBDSA-N 2 0 242.407 1.856 20 0 BDADRP CC(C)[N@@H+](C)C[C@@H](C)N[C@@H]1C[NH+]2C[C@@H]1CCC2 ZINC000926450538 646641618 /nfs/dbraw/zinc/64/16/18/646641618.db2.gz OFVUCVODORSVRT-HZSPNIEDSA-N 2 0 239.407 1.399 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCc2nc[nH]c2C1)C(C)(C)CO ZINC000926450547 646642189 /nfs/dbraw/zinc/64/21/89/646642189.db2.gz OHUBIESOULAAFN-ZJUUUORDSA-N 2 0 237.347 1.264 20 0 BDADRP C[C@@H](C[NH2+]C1CC2(C1)CO[C@H](C)C2)C[NH+](C)C ZINC000926468244 646652550 /nfs/dbraw/zinc/65/25/50/646652550.db2.gz ASMABZFKGWFJJQ-MRFVTOPCSA-N 2 0 240.391 1.731 20 0 BDADRP Cn1ncc(Cl)c1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723679429 711533885 /nfs/dbraw/zinc/53/38/85/711533885.db2.gz DIZAJIGYJGGTFP-SECBINFHSA-N 2 0 242.754 1.244 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1CC[NH3+] ZINC000723901139 711544119 /nfs/dbraw/zinc/54/41/19/711544119.db2.gz OCUXUTCFARHFIN-JHJVBQTASA-N 2 0 226.364 1.330 20 0 BDADRP C[C@@H](C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)C(C)(C)C ZINC000385289642 711578397 /nfs/dbraw/zinc/57/83/97/711578397.db2.gz BYAQDMJEVUZNJM-TUAOUCFPSA-N 2 0 210.365 1.962 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000925724586 711728130 /nfs/dbraw/zinc/72/81/30/711728130.db2.gz BKMBRZGFUKLEBG-RYUDHWBXSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CC2(CCC2)CO1)[C@@H]1CC[NH2+]C1 ZINC000925773981 711745664 /nfs/dbraw/zinc/74/56/64/711745664.db2.gz QTNSXAAHGNNPDG-YNEHKIRRSA-N 2 0 238.375 1.533 20 0 BDADRP CC[NH2+]CC1CC[NH+](C[C@H]2C[C@@H](OC)C2)CC1 ZINC000721931500 711939798 /nfs/dbraw/zinc/93/97/98/711939798.db2.gz HSVSONTZGFWKBR-OKILXGFUSA-N 2 0 240.391 1.733 20 0 BDADRP CC1(C)C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCS1 ZINC000133344472 711957806 /nfs/dbraw/zinc/95/78/06/711957806.db2.gz DHSMEQBMIJREFE-MNOVXSKESA-N 2 0 228.405 1.941 20 0 BDADRP C(C[C@@H]1CCSC1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000704812831 712118114 /nfs/dbraw/zinc/11/81/14/712118114.db2.gz CRQQJCASRUCMKS-VXGBXAGGSA-N 2 0 228.405 1.861 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCSC1)[C@H]1CC[NH2+]C1 ZINC000704777985 712116499 /nfs/dbraw/zinc/11/64/99/712116499.db2.gz WLSIYADWASTHER-SRVKXCTJSA-N 2 0 228.405 1.717 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)CC[C@@H]1[NH3+] ZINC000708325833 712186940 /nfs/dbraw/zinc/18/69/40/712186940.db2.gz YESNWMVNFSIIAR-UTUOFQBUSA-N 2 0 226.364 1.471 20 0 BDADRP CC1(C)CO[C@@H](C[NH+]2CCC(C)([NH3+])CC2)C1 ZINC000708324663 712187025 /nfs/dbraw/zinc/18/70/25/712187025.db2.gz UERTYJWBBLFYBB-LLVKDONJSA-N 2 0 226.364 1.615 20 0 BDADRP CC1(C)CO[C@@H](C[NH+]2CCC([NH3+])CC2)C1 ZINC000708325735 712187620 /nfs/dbraw/zinc/18/76/20/712187620.db2.gz XWWHXJBWFTUJSB-LLVKDONJSA-N 2 0 212.337 1.225 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)OC2(C)C)C[C@H]1[NH3+] ZINC000709695121 712216020 /nfs/dbraw/zinc/21/60/20/712216020.db2.gz BYHNRJXVVNKKOP-GRYCIOLGSA-N 2 0 240.391 1.859 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCC[C@H](CO)CC2)CC1 ZINC000709508722 712223313 /nfs/dbraw/zinc/22/33/13/712223313.db2.gz KRDYHGLOWQVTCC-AWEZNQCLSA-N 2 0 240.391 1.423 20 0 BDADRP C[C@H]1C[C@H]([N@H+](C)CCCCCC[NH3+])CCN1C ZINC000710725078 712255572 /nfs/dbraw/zinc/25/55/72/712255572.db2.gz SGBRWKDEGVPIJI-UONOGXRCSA-N 2 0 241.423 1.920 20 0 BDADRP Cc1cc(CN(C)CCCCCC[NH3+])no1 ZINC000710729022 712255591 /nfs/dbraw/zinc/25/55/91/712255591.db2.gz FBTLITREZPDMOS-UHFFFAOYSA-N 2 0 225.336 1.934 20 0 BDADRP CCN1CC[C@H]([N@H+](C)CCCCCC[NH3+])C1=O ZINC000710804593 712257259 /nfs/dbraw/zinc/25/72/59/712257259.db2.gz NKTLVBQWUSEOGS-LBPRGKRZSA-N 2 0 241.379 1.058 20 0 BDADRP C[NH+](C)CC1(O)CC[NH+](CCC(C)(C)C)CC1 ZINC000710664574 712265258 /nfs/dbraw/zinc/26/52/58/712265258.db2.gz KZSOCQZMRVCLOJ-UHFFFAOYSA-N 2 0 242.407 1.811 20 0 BDADRP C[NH+](C)CC1(O)CC[NH+](CC2(C)CCC2)CC1 ZINC000710664590 712265273 /nfs/dbraw/zinc/26/52/73/712265273.db2.gz LHRODXNFMZBQLQ-UHFFFAOYSA-N 2 0 240.391 1.565 20 0 BDADRP COC1(OC)CC[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000710958381 712268141 /nfs/dbraw/zinc/26/81/41/712268141.db2.gz KBJXVILKKYSFJD-GFCCVEGCSA-N 2 0 242.363 1.069 20 0 BDADRP C[C@H](c1ncccn1)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923479449 712334308 /nfs/dbraw/zinc/33/43/08/712334308.db2.gz PBCSEKUUSRAOMI-MNOVXSKESA-N 2 0 220.320 1.208 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCCCCC1 ZINC000383671239 712383908 /nfs/dbraw/zinc/38/39/08/712383908.db2.gz OGDIYBWNRDZEAW-AWEZNQCLSA-N 2 0 242.407 1.954 20 0 BDADRP CC1(C)CCC[C@H](C[N@@H+]2CC[C@@H](C[NH3+])C2)O1 ZINC000714375667 712484770 /nfs/dbraw/zinc/48/47/70/712484770.db2.gz VWSGQDFUIHRVGP-NWDGAFQWSA-N 2 0 226.364 1.615 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC=CO1 ZINC000380214215 712727211 /nfs/dbraw/zinc/72/72/11/712727211.db2.gz IXPSJYMGLPOVSU-XQQFMLRXSA-N 2 0 224.348 1.786 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC=CO1 ZINC000380214213 712727230 /nfs/dbraw/zinc/72/72/30/712727230.db2.gz IXPSJYMGLPOVSU-AVGNSLFASA-N 2 0 224.348 1.786 20 0 BDADRP C[C@@H]1OCC[N@H+](CCCCCC[NH3+])[C@H]1C ZINC000380422782 712900624 /nfs/dbraw/zinc/90/06/24/712900624.db2.gz DBSHMNQOHITQCW-RYUDHWBXSA-N 2 0 214.353 1.615 20 0 BDADRP COC[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)C1CC1 ZINC000722564418 710717014 /nfs/dbraw/zinc/71/70/14/710717014.db2.gz CYBYGURNBVUOJS-RAIGVLPGSA-N 2 0 226.364 1.247 20 0 BDADRP C1[NH2+][C@H]2[C@H]([NH2+][C@@H]3CCCSC3)[C@H]3C[C@H]1[C@@H]2C3 ZINC000382044643 710767893 /nfs/dbraw/zinc/76/78/93/710767893.db2.gz KBFYIMRSCXZWAV-JSAZDUPASA-N 2 0 238.400 1.468 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H]2CCCN[C@@H]2C)CC1 ZINC000396577112 710907472 /nfs/dbraw/zinc/90/74/72/710907472.db2.gz CZEJCHWSRXMVQJ-OCCSQVGLSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C[C@H]1C ZINC000382945707 710976630 /nfs/dbraw/zinc/97/66/30/710976630.db2.gz SCJCZKIDQQJNFZ-MGPQQGTHSA-N 2 0 240.391 1.421 20 0 BDADRP CC[NH+](CC)[C@@H]1CCN(C[C@H]([NH3+])CC(F)F)C1 ZINC000383320900 710980011 /nfs/dbraw/zinc/98/00/11/710980011.db2.gz CIQQIXCKJDHORX-GHMZBOCLSA-N 2 0 249.349 1.385 20 0 BDADRP O[C@H](CC1CCCC1)CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000385408896 711013740 /nfs/dbraw/zinc/01/37/40/711013740.db2.gz YOFRBKGMWOYTJY-MCIONIFRSA-N 2 0 238.375 1.221 20 0 BDADRP CC[N@H+](CCCO)CCCCCC[NH3+] ZINC000385852643 711019129 /nfs/dbraw/zinc/01/91/29/711019129.db2.gz QDRLJOGCPFURGO-UHFFFAOYSA-N 2 0 202.342 1.210 20 0 BDADRP CCN(C[C@H]([NH3+])CC(F)F)C[C@H]1CCCO1 ZINC000390254015 711110267 /nfs/dbraw/zinc/11/02/67/711110267.db2.gz VLOMTAYHBVVWRC-NXEZZACHSA-N 2 0 236.306 1.470 20 0 BDADRP CC(C)C[C@H](CN[C@@H]1CCC[NH2+][C@@H]1C)[NH+](C)C ZINC000396621601 711361701 /nfs/dbraw/zinc/36/17/01/711361701.db2.gz VACIYSUPMUVEGZ-MGPQQGTHSA-N 2 0 241.423 1.693 20 0 BDADRP CC1CC[NH+](CCN[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000396602871 711358591 /nfs/dbraw/zinc/35/85/91/711358591.db2.gz NYNLALBWAKTKMN-KBPBESRZSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H]1[NH2+]CCC[C@@H]1NCc1ccc2c(c1)OCO2 ZINC000396631167 711360404 /nfs/dbraw/zinc/36/04/04/711360404.db2.gz JGCDFHVDQXSRKQ-PWSUYJOCSA-N 2 0 248.326 1.645 20 0 BDADRP C(C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)C1CCC1 ZINC000398666906 711414631 /nfs/dbraw/zinc/41/46/31/711414631.db2.gz QLSJNYSHOSPPDP-QWHCGFSZSA-N 2 0 208.349 1.718 20 0 BDADRP C[C@@H](C[NH2+]CC1CC[NH+](C)CC1)C[C@H](C)O ZINC000398699961 711415211 /nfs/dbraw/zinc/41/52/11/711415211.db2.gz VXNNHUPZKLJHCI-NEPJUHHUSA-N 2 0 228.380 1.325 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H](CCO)C1CC1 ZINC000381431304 710636225 /nfs/dbraw/zinc/63/62/25/710636225.db2.gz BPEDKULMRUURPF-STQMWFEESA-N 2 0 226.364 1.221 20 0 BDADRP CN1CCC[NH+]=C1NCC[N@H+](C)C1CCCC1 ZINC000386574478 711033046 /nfs/dbraw/zinc/03/30/46/711033046.db2.gz MSVXJLOSRCKRGD-UHFFFAOYSA-N 2 0 238.379 1.142 20 0 BDADRP C[NH+]1CCC(C[NH2+]Cc2cc[nH]c(=O)c2)CC1 ZINC000392646562 711150147 /nfs/dbraw/zinc/15/01/47/711150147.db2.gz RTWXXAGOOWLEPP-UHFFFAOYSA-N 2 0 235.331 1.219 20 0 BDADRP COC[C@H]([NH2+]CCC(C)(C)[NH3+])C1CC1 ZINC000397263622 711379066 /nfs/dbraw/zinc/37/90/66/711379066.db2.gz UHNNVJZKSFUGNB-JTQLQIEISA-N 2 0 200.326 1.128 20 0 BDADRP CN(C)C1(C[NH2+]CC2CC[NH+](C)CC2)CC1 ZINC000397810185 711392877 /nfs/dbraw/zinc/39/28/77/711392877.db2.gz YKSVRJHPLKIANX-UHFFFAOYSA-N 2 0 225.380 1.012 20 0 BDADRP CC(C)[NH+]1CCN(c2cc[nH+]c(CO)c2)CC1 ZINC000040878511 711483165 /nfs/dbraw/zinc/48/31/65/711483165.db2.gz ZDGOPISFINDXDW-UHFFFAOYSA-N 2 0 235.331 1.104 20 0 BDADRP C[C@@H]1CN(CCC[NH2+]C2CC2)CC(C)(C)O1 ZINC000045706590 711487929 /nfs/dbraw/zinc/48/79/29/711487929.db2.gz MZFVVFCGIGNTJY-LLVKDONJSA-N 2 0 226.364 1.628 20 0 BDADRP C([NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)C1C[NH2+]C1 ZINC000723638327 711528917 /nfs/dbraw/zinc/52/89/17/711528917.db2.gz WKOMUAIPEFOPFO-FRRDWIJNSA-N 2 0 224.348 1.001 20 0 BDADRP Cc1nocc1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723703184 711535652 /nfs/dbraw/zinc/53/56/52/711535652.db2.gz KZNQOXISQFWJAR-JTQLQIEISA-N 2 0 209.293 1.154 20 0 BDADRP Cc1cc(C)nc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)c1 ZINC000723880165 711542087 /nfs/dbraw/zinc/54/20/87/711542087.db2.gz YKYBVMFEUVTSMW-CYBMUJFWSA-N 2 0 233.359 1.869 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1CC[NH3+] ZINC000723884677 711543476 /nfs/dbraw/zinc/54/34/76/711543476.db2.gz VHSKEFDVJCQNLB-DGCLKSJQSA-N 2 0 219.332 1.498 20 0 BDADRP C[N@H+](C[C@]1(C)CCC[NH2+]C1)[C@@H]1CCOC1 ZINC000134713314 711543688 /nfs/dbraw/zinc/54/36/88/711543688.db2.gz UTCSNLJOYZSOLR-VXGBXAGGSA-N 2 0 212.337 1.097 20 0 BDADRP Cc1conc1C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723894490 711544345 /nfs/dbraw/zinc/54/43/45/711544345.db2.gz LSPDQAJAWMDWET-MWLCHTKSSA-N 2 0 223.320 1.400 20 0 BDADRP CO[C@@H]1CC[C@H]1[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000724155055 711565468 /nfs/dbraw/zinc/56/54/68/711565468.db2.gz JXISMOGLYNRYKA-WRWGMCAJSA-N 2 0 212.337 1.223 20 0 BDADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1c[nH]cn1)CC2 ZINC000724776219 711611576 /nfs/dbraw/zinc/61/15/76/711611576.db2.gz XXHXSYQVEIGLTF-UHFFFAOYSA-N 2 0 248.374 1.718 20 0 BDADRP Cc1nc(C)c(C[NH2+][C@H](CO)c2ccccc2)[nH]1 ZINC000724790226 711614596 /nfs/dbraw/zinc/61/45/96/711614596.db2.gz NEBLYGKMSXCEMN-CQSZACIVSA-N 2 0 245.326 1.850 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@@H]1CC[NH2+]C12CCC2 ZINC000925604853 711704926 /nfs/dbraw/zinc/70/49/26/711704926.db2.gz AVCBZRFAOGONLB-CYBMUJFWSA-N 2 0 239.407 1.591 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](CC3CCOCC3)C[C@@H]2C1 ZINC000931440609 711714338 /nfs/dbraw/zinc/71/43/38/711714338.db2.gz YKVCJLAJYJJFFC-KGLIPLIRSA-N 2 0 238.375 1.297 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)c2ccccc2)C1 ZINC000222920445 711753910 /nfs/dbraw/zinc/75/39/10/711753910.db2.gz TVUGDJLBDSZHKU-MGPQQGTHSA-N 2 0 234.343 1.580 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000925830968 711759601 /nfs/dbraw/zinc/75/96/01/711759601.db2.gz HMUYAQIOYKEIDQ-LURQLKTLSA-N 2 0 224.270 1.900 20 0 BDADRP Cc1ncc([C@@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)c(C)n1 ZINC000925875884 711761812 /nfs/dbraw/zinc/76/18/12/711761812.db2.gz OMQMEJNFVDAALK-WQAKAFBOSA-N 2 0 248.374 1.871 20 0 BDADRP CC[NH+](CC)CCC[NH2+]CC1CC[NH+](C)CC1 ZINC000054239908 711782541 /nfs/dbraw/zinc/78/25/41/711782541.db2.gz RJOIBRZXIJUZEM-UHFFFAOYSA-N 3 0 241.423 1.650 20 0 BDADRP C1[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C12CCCC2 ZINC000387294542 711787073 /nfs/dbraw/zinc/78/70/73/711787073.db2.gz OEWLHNBXQXHUBN-XNBXPENISA-N 2 0 232.371 1.905 20 0 BDADRP COC[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C(C)C ZINC000721870063 711792869 /nfs/dbraw/zinc/79/28/69/711792869.db2.gz AYGPUEDLHIENEZ-RDBSUJKOSA-N 2 0 242.407 1.977 20 0 BDADRP C[NH+]1CCC(C[NH2+]C[C@@H]2CCC(C)(C)O2)CC1 ZINC000160260399 711806056 /nfs/dbraw/zinc/80/60/56/711806056.db2.gz QVQDPJHCZBEIJY-ZDUSSCGKSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1ccc(O)c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000229066298 711837340 /nfs/dbraw/zinc/83/73/40/711837340.db2.gz JSDQYWJUGFUARG-JQWIXIFHSA-N 2 0 249.358 1.512 20 0 BDADRP COC[C@H](C[N@@H+]1CCC[C@H](C[NH3+])C1)C(C)C ZINC000721916467 711918898 /nfs/dbraw/zinc/91/88/98/711918898.db2.gz XMKTYMMDOILBNG-OLZOCXBDSA-N 2 0 228.380 1.576 20 0 BDADRP COc1cncc(CNC[C@H]2CCC[N@H+](C)C2)c1 ZINC000700055011 711984984 /nfs/dbraw/zinc/98/49/84/711984984.db2.gz BRNXDWLOAKLSPQ-GFCCVEGCSA-N 2 0 249.358 1.522 20 0 BDADRP C[C@H]1CSCC[N@@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000700239930 711988213 /nfs/dbraw/zinc/98/82/13/711988213.db2.gz XRSNJUALIQWMLD-NWDGAFQWSA-N 2 0 228.405 1.813 20 0 BDADRP C[C@H]1CSCC[N@@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000700239931 711988291 /nfs/dbraw/zinc/98/82/91/711988291.db2.gz XRSNJUALIQWMLD-RYUDHWBXSA-N 2 0 228.405 1.813 20 0 BDADRP C[C@H]1CC[N@H+](CC2CC[NH+](C)CC2)C[C@H]1CO ZINC000700402177 711992462 /nfs/dbraw/zinc/99/24/62/711992462.db2.gz ZCWDKRMJIICULP-JSGCOSHPSA-N 2 0 240.391 1.279 20 0 BDADRP COC[C@H](C)C[NH2+]CC[C@@H](C)[NH+](C)C ZINC000700489452 711994365 /nfs/dbraw/zinc/99/43/65/711994365.db2.gz RMWISZVAAXLOPZ-GHMZBOCLSA-N 2 0 202.342 1.199 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CCO[C@H](CCF)C1 ZINC000700589916 711999228 /nfs/dbraw/zinc/99/92/28/711999228.db2.gz DLWVODYQMCRFHE-GFCCVEGCSA-N 2 0 232.343 1.566 20 0 BDADRP CC[C@@H]1COC[C@@H]1[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000700809944 712006585 /nfs/dbraw/zinc/00/65/85/712006585.db2.gz WSCBSMWBDHEBSF-MCIONIFRSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000701017738 712011964 /nfs/dbraw/zinc/01/19/64/712011964.db2.gz QMJYEKWIDHGKDH-ASHHDVGLSA-N 2 0 238.375 1.658 20 0 BDADRP CC(C)CC1([NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000701425716 712022801 /nfs/dbraw/zinc/02/28/01/712022801.db2.gz AJVYSDQDNLRKEG-CYBMUJFWSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](CC[C@H]1CCCO1)C2 ZINC000702053738 712037291 /nfs/dbraw/zinc/03/72/91/712037291.db2.gz ONVNHZIVFDLGBX-YNEHKIRRSA-N 2 0 224.348 1.097 20 0 BDADRP [NH3+]CCCCCCC[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000702095005 712038848 /nfs/dbraw/zinc/03/88/48/712038848.db2.gz WWLIIQAPALIQEH-ZIAGYGMSSA-N 2 0 240.391 1.864 20 0 BDADRP CC1(C)C[C@@]1(C)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000702340601 712047628 /nfs/dbraw/zinc/04/76/28/712047628.db2.gz XHWMPXVDQQRERC-OCCSQVGLSA-N 2 0 240.391 1.469 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCCC3(CC3)CC2)C1 ZINC000702564363 712055592 /nfs/dbraw/zinc/05/55/92/712055592.db2.gz AXAUORPJGPCZGE-TXEJJXNPSA-N 2 0 208.349 1.990 20 0 BDADRP CC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C[C@H]1CCCO1 ZINC000703587908 712080038 /nfs/dbraw/zinc/08/00/38/712080038.db2.gz HYUJLHIZTCTMKF-GRYCIOLGSA-N 2 0 212.337 1.225 20 0 BDADRP CC[C@@H]1CO[C@@H](CC)C[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000703616587 712081488 /nfs/dbraw/zinc/08/14/88/712081488.db2.gz OIOSHUSQJGFCMG-XQHKEYJVSA-N 2 0 226.364 1.613 20 0 BDADRP CC1(O)CCC([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000703605259 712081894 /nfs/dbraw/zinc/08/18/94/712081894.db2.gz NFTDXPMKCYDJSX-CMOBGSAGSA-N 2 0 238.375 1.540 20 0 BDADRP C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000703808366 712089561 /nfs/dbraw/zinc/08/95/61/712089561.db2.gz VXGGBZVDEQGBEL-KVAMGIGCSA-N 2 0 208.349 1.905 20 0 BDADRP CC1([NH3+])CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000704579546 712112666 /nfs/dbraw/zinc/11/26/66/712112666.db2.gz WXBSUBRTWPODLR-CYBMUJFWSA-N 2 0 234.343 1.533 20 0 BDADRP C[NH+]1CCC(C[NH2+]C[C@@H]2C[C@H]2C2CC2)CC1 ZINC000705160232 712124001 /nfs/dbraw/zinc/12/40/01/712124001.db2.gz LEHBXOFIJSQINN-KBPBESRZSA-N 2 0 222.376 1.964 20 0 BDADRP CCOC[C@H]1C[N@H+](CCCCCC[NH3+])CCO1 ZINC000705822128 712136717 /nfs/dbraw/zinc/13/67/17/712136717.db2.gz ZIPUFWFXKJUKSQ-CYBMUJFWSA-N 2 0 244.379 1.243 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C2CC([NH+](C)C)C2)CS1 ZINC000706078531 712139737 /nfs/dbraw/zinc/13/97/37/712139737.db2.gz ILMFRUZAEAFTQI-QKEWWQLBSA-N 2 0 228.405 1.953 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@@H]1CC(C)(C)CO1 ZINC000708337499 712188804 /nfs/dbraw/zinc/18/88/04/712188804.db2.gz NMBQETBYSUJPRI-UTUOFQBUSA-N 2 0 226.364 1.613 20 0 BDADRP C[NH2+]C1CC[NH+](C[C@H]2C[C@@H](OC)C2)CC1 ZINC000709034643 712205676 /nfs/dbraw/zinc/20/56/76/712205676.db2.gz ZTZXSHBGXAWGSB-KLPPZKSPSA-N 2 0 212.337 1.095 20 0 BDADRP C[C@H]1[C@H]2CC[C@@H](C[C@H]1NC1CC[NH+](C)CC1)[NH2+]2 ZINC000709284689 712218990 /nfs/dbraw/zinc/21/89/90/712218990.db2.gz NZZWAXHLMVXJPK-SCUASFONSA-N 2 0 237.391 1.199 20 0 BDADRP CC1(O)CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000709500119 712223328 /nfs/dbraw/zinc/22/33/28/712223328.db2.gz AVVODGJRXWBNNK-HPCMXSDISA-N 2 0 238.375 1.553 20 0 BDADRP C[C@@H]1C[N@H+](CCc2ccns2)CC[C@H]1[NH3+] ZINC000709965337 712234920 /nfs/dbraw/zinc/23/49/20/712234920.db2.gz BJVXZJOTBVVIPW-MWLCHTKSSA-N 2 0 225.361 1.355 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cn(C)cn1 ZINC000710032930 712243110 /nfs/dbraw/zinc/24/31/10/712243110.db2.gz HTQYZPSCNFXFHN-NSHDSACASA-N 2 0 236.363 1.413 20 0 BDADRP CC[C@@H]1COC[C@@H]1[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000711106562 712280961 /nfs/dbraw/zinc/28/09/61/712280961.db2.gz GDCVRHZRHLJDAY-OCCSQVGLSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCC3(CCC3)O2)CC[C@H]1[NH3+] ZINC000711473212 712303081 /nfs/dbraw/zinc/30/30/81/712303081.db2.gz XZQBUPVAVADESA-FRRDWIJNSA-N 2 0 238.375 1.757 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1C=CCC1 ZINC000711671732 712315685 /nfs/dbraw/zinc/31/56/85/712315685.db2.gz ZOAHLAIEUMWLAN-NWDGAFQWSA-N 2 0 212.337 1.296 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1C=CCC1 ZINC000711671734 712315957 /nfs/dbraw/zinc/31/59/57/712315957.db2.gz ZOAHLAIEUMWLAN-VXGBXAGGSA-N 2 0 212.337 1.296 20 0 BDADRP C[C@@H]1CN[C@@H](C)[C@H](C)[N@H+]1CCCCCC[NH3+] ZINC000923434912 712322473 /nfs/dbraw/zinc/32/24/73/712322473.db2.gz CJIAHTVVLPEDHP-AGIUHOORSA-N 2 0 227.396 1.576 20 0 BDADRP C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)OC1CC1 ZINC000711760401 712326649 /nfs/dbraw/zinc/32/66/49/712326649.db2.gz URLRLHZFSJVVEZ-OCCSQVGLSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@H]1CCC[N@H+](CCOC2CC2)[C@H]1CC[NH3+] ZINC000711776979 712328781 /nfs/dbraw/zinc/32/87/81/712328781.db2.gz PYLSVRUHZMWSLJ-AAEUAGOBSA-N 2 0 226.364 1.615 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@@H](CC[NH3+])C1)C1CCC1 ZINC000923480293 712334209 /nfs/dbraw/zinc/33/42/09/712334209.db2.gz WPSMGCRHCKTCOV-DGCLKSJQSA-N 2 0 226.364 1.472 20 0 BDADRP CCn1cc(CC[N@@H+]2CC[C@@H](CC[NH3+])C2)cn1 ZINC000923479746 712334257 /nfs/dbraw/zinc/33/42/57/712334257.db2.gz SKZNWWAMERBUKB-GFCCVEGCSA-N 2 0 236.363 1.116 20 0 BDADRP Cc1ccc([C@@H](O)C[N@@H+]2CC[C@H](CC[NH3+])C2)cc1 ZINC000923480367 712335031 /nfs/dbraw/zinc/33/50/31/712335031.db2.gz XUXLUVCSXBZRMU-ZFWWWQNUSA-N 2 0 248.370 1.699 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCC(C)(C)[NH3+])CCO1 ZINC000379517598 712387077 /nfs/dbraw/zinc/38/70/77/712387077.db2.gz AZGQCFUGAAXPHL-UWVGGRQHSA-N 2 0 200.326 1.271 20 0 BDADRP C[C@H](CCO)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000390650058 712398204 /nfs/dbraw/zinc/39/82/04/712398204.db2.gz OYSHPPSSNUGRAM-LLVKDONJSA-N 2 0 226.364 1.364 20 0 BDADRP C([C@H]1CCC2(CCC2)O1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000712440294 712429816 /nfs/dbraw/zinc/42/98/16/712429816.db2.gz ZYROTDPSNNIOME-FRRDWIJNSA-N 2 0 236.359 1.239 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CCC3(CCC3)O2)C[C@H]1C[NH3+] ZINC000712483794 712431377 /nfs/dbraw/zinc/43/13/77/712431377.db2.gz DBOHCYYENRUFQO-JHJVBQTASA-N 2 0 238.375 1.615 20 0 BDADRP CCc1cc(NC[C@H]2CC[N@H+]2CC)cc[nH+]1 ZINC000712582916 712434201 /nfs/dbraw/zinc/43/42/01/712434201.db2.gz RUPOZBPNROYFLB-CYBMUJFWSA-N 2 0 219.332 1.572 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@H]2CCN2CC)CC1 ZINC000712584874 712434279 /nfs/dbraw/zinc/43/42/79/712434279.db2.gz CEZDBBPLLRRODM-CQSZACIVSA-N 2 0 239.407 1.545 20 0 BDADRP COCC(C)(C)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000712661902 712439978 /nfs/dbraw/zinc/43/99/78/712439978.db2.gz BVLJDCONQYUXMG-VXGBXAGGSA-N 2 0 228.380 1.576 20 0 BDADRP CCN1CC[C@@H]1C[NH2+]C1CC[NH+](CC)CC1 ZINC000712555778 712444778 /nfs/dbraw/zinc/44/47/78/712444778.db2.gz HHSXXLMKWIWZFO-CYBMUJFWSA-N 2 0 225.380 1.155 20 0 BDADRP CC1(C)CO[C@@H](C[N@@H+]2CC[NH2+]CCC2(C)C)C1 ZINC000712577205 712448010 /nfs/dbraw/zinc/44/80/10/712448010.db2.gz NWFUPXGKFNVIEV-GFCCVEGCSA-N 2 0 240.391 1.875 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)C1 ZINC000713093470 712452356 /nfs/dbraw/zinc/45/23/56/712452356.db2.gz TYBOKGCPORMSBF-MLGHIDQZSA-N 2 0 236.359 1.271 20 0 BDADRP C[N@H+](CCC[NH3+])C[C@@H]1CCC(C)(C)CO1 ZINC000713589672 712466189 /nfs/dbraw/zinc/46/61/89/712466189.db2.gz AZUGECGEXIQHBZ-NSHDSACASA-N 2 0 214.353 1.472 20 0 BDADRP C=C/C=C\CC[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000713751703 712471450 /nfs/dbraw/zinc/47/14/50/712471450.db2.gz ZXMXYLCVSNPBKW-VQTKUKTRSA-N 2 0 235.375 1.098 20 0 BDADRP COC[C@@H](C)[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714427334 712486251 /nfs/dbraw/zinc/48/62/51/712486251.db2.gz IRBKZGOATHPHPK-LLVKDONJSA-N 2 0 228.380 1.718 20 0 BDADRP COC[C@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)C)CC2)C1 ZINC000714446791 712489557 /nfs/dbraw/zinc/48/95/57/712489557.db2.gz BVTGAMDYIURQJK-XBXGTLAGSA-N 2 0 240.391 1.874 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H]2C[C@@H](COC)C2)CC1 ZINC000714451149 712490130 /nfs/dbraw/zinc/49/01/30/712490130.db2.gz WWIBKFPKCCPTRI-XBXGTLAGSA-N 2 0 240.391 1.875 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000714722029 712496391 /nfs/dbraw/zinc/49/63/91/712496391.db2.gz HYHXPJGKRGDGJE-LPWJVIDDSA-N 2 0 226.364 1.532 20 0 BDADRP CCC1([NH3+])CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000714752330 712497400 /nfs/dbraw/zinc/49/74/00/712497400.db2.gz FHHAQRSTDBZVBX-GFCCVEGCSA-N 2 0 226.364 1.616 20 0 BDADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ncc[nH]1 ZINC000715181173 712513214 /nfs/dbraw/zinc/51/32/14/712513214.db2.gz PZBWGDQNPMHRLF-UNXYVOJBSA-N 2 0 236.363 1.933 20 0 BDADRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cc[nH]c(=O)c2)C1 ZINC000715217469 712514117 /nfs/dbraw/zinc/51/41/17/712514117.db2.gz HXTIMBWDOPAQKC-OLZOCXBDSA-N 2 0 249.358 1.750 20 0 BDADRP FC1(F)[C@H]2C[N@H+](C[C@H]3CCC[NH2+]C3)C[C@H]21 ZINC000715406581 712517280 /nfs/dbraw/zinc/51/72/80/712517280.db2.gz BDXZZDIXEPNLCH-LPEHRKFASA-N 2 0 216.275 1.183 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000715424543 712518205 /nfs/dbraw/zinc/51/82/05/712518205.db2.gz RFAFIYHEZZFCOE-RGOKHQFPSA-N 2 0 216.275 1.039 20 0 BDADRP C([C@@H]1CC[C@H](C2CC2)O1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000715492798 712523382 /nfs/dbraw/zinc/52/33/82/712523382.db2.gz AJNBDOILBMXFHR-XDQVBPFNSA-N 2 0 236.359 1.095 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@H]1CC[C@H](C2CC2)O1 ZINC000715511718 712524283 /nfs/dbraw/zinc/52/42/83/712524283.db2.gz TWYPRSQKBUNVIJ-FMKGYKFTSA-N 2 0 238.375 1.756 20 0 BDADRP C[C@@H](O)C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715510989 712524298 /nfs/dbraw/zinc/52/42/98/712524298.db2.gz RZXQTFMGKTXTFH-VOMCLLRMSA-N 2 0 214.353 1.220 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@H]1CC[C@@H](C2CC2)O1 ZINC000715511724 712524614 /nfs/dbraw/zinc/52/46/14/712524614.db2.gz TWYPRSQKBUNVIJ-ZRJCITRHSA-N 2 0 238.375 1.756 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@H]2CC[C@@H](C3CC3)O2)C1 ZINC000715513049 712525002 /nfs/dbraw/zinc/52/50/02/712525002.db2.gz YAWBFWRQYZKYGQ-YUTCNCBUSA-N 2 0 238.375 1.485 20 0 BDADRP C[C@@H]1[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)CO[C@H]1C ZINC000715558567 712528437 /nfs/dbraw/zinc/52/84/37/712528437.db2.gz PPPCNNJLRWQTTJ-LFSIAQGGSA-N 2 0 240.391 1.872 20 0 BDADRP CC[C@H](C[C@@H](C)O)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000716848522 712578264 /nfs/dbraw/zinc/57/82/64/712578264.db2.gz DHCLCRJTGUSHJF-YRGRVCCFSA-N 2 0 242.407 1.856 20 0 BDADRP C[C@@]1(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCOC1 ZINC000925486500 712610783 /nfs/dbraw/zinc/61/07/83/712610783.db2.gz HTKQDRSTYDPJGD-BZPMIXESSA-N 2 0 240.391 1.909 20 0 BDADRP COCC(C)(C)CC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000718746693 712779962 /nfs/dbraw/zinc/77/99/62/712779962.db2.gz WTXBMHZUNUGSNF-NWDGAFQWSA-N 2 0 240.391 1.909 20 0 BDADRP Fc1cccc(CC[NH2+]C2CC[NH2+]CC2)c1 ZINC000038040864 712801133 /nfs/dbraw/zinc/80/11/33/712801133.db2.gz XCUIIFDYXWPFGA-UHFFFAOYSA-N 2 0 222.307 1.710 20 0 BDADRP CC(C)[NH+]1CCC(N[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000719649990 712820941 /nfs/dbraw/zinc/82/09/41/712820941.db2.gz WKSJGIMEMSQEHL-TZMCWYRMSA-N 2 0 239.407 1.541 20 0 BDADRP C[C@@H]([NH2+]Cc1cccc2ncccc12)C1C[NH2+]C1 ZINC000720512412 712848169 /nfs/dbraw/zinc/84/81/69/712848169.db2.gz HFHNREJKYJUIPS-LLVKDONJSA-N 2 0 241.338 1.932 20 0 BDADRP C[C@@H]1CC[C@@H](C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)O1 ZINC000720862887 712871377 /nfs/dbraw/zinc/87/13/77/712871377.db2.gz VUXFYJLPHDEXQB-MROQNXINSA-N 2 0 224.348 1.095 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000720893513 712875584 /nfs/dbraw/zinc/87/55/84/712875584.db2.gz KWTKOEYHYGOFJZ-XJFOESAGSA-N 2 0 237.391 1.010 20 0 BDADRP O[C@H]1C[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000720951807 712882368 /nfs/dbraw/zinc/88/23/68/712882368.db2.gz RVWNECYGUIXDCJ-QSLWVIQJSA-N 2 0 238.375 1.268 20 0 BDADRP CCO[C@@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000706523798 957949048 /nfs/dbraw/zinc/94/90/48/957949048.db2.gz CZSJTFPKSHHWML-ZGVCCVRISA-N 2 0 224.348 1.380 20 0 BDADRP Cc1cnc(N2CCC[C@@H]([NH+](C)C)C2)c(C[NH3+])c1 ZINC001165036645 721894235 /nfs/dbraw/zinc/89/42/35/721894235.db2.gz URTSKSGTEGWHLN-CYBMUJFWSA-N 2 0 248.374 1.379 20 0 BDADRP Cc1nc(C)c(C[NH+]2CCC(C[NH3+])CC2)[nH]1 ZINC000724788690 959519243 /nfs/dbraw/zinc/51/92/43/959519243.db2.gz RCSJLERUVWAWIM-UHFFFAOYSA-N 2 0 222.336 1.197 20 0 BDADRP [NH3+][C@@H]1CCC[N@H+](C[C@H]2CCCOC2)CC1 ZINC000708503755 959526732 /nfs/dbraw/zinc/52/67/32/959526732.db2.gz KUWVNMXKWFIVFK-VXGBXAGGSA-N 2 0 212.337 1.226 20 0 BDADRP Cc1c(C[N@@H+]2CCC[C@H]([NH3+])CC2)cnn1C ZINC000708591178 959644126 /nfs/dbraw/zinc/64/41/26/959644126.db2.gz NWPCRKRRTLFYAB-LBPRGKRZSA-N 2 0 222.336 1.042 20 0 BDADRP [NH3+]C[C@H]1CCCC[N@H+](C[C@H]2CCCCO2)C1 ZINC000309466263 959878265 /nfs/dbraw/zinc/87/82/65/959878265.db2.gz SVIJCPRKPLLYOO-CHWSQXEVSA-N 2 0 226.364 1.616 20 0 BDADRP C[C@@]1([NH3+])CCN(Cc2ccc(C[NH3+])cc2)C1 ZINC001204782449 963536090 /nfs/dbraw/zinc/53/60/90/963536090.db2.gz DRULRPQCYNBYLS-CYBMUJFWSA-N 2 0 219.332 1.068 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@@H+]2C)CCO1 ZINC001168093785 963697866 /nfs/dbraw/zinc/69/78/66/963697866.db2.gz XSROZSUXWIDVPT-RWMBFGLXSA-N 2 0 226.364 1.628 20 0 BDADRP C[NH+](C)C1CCC(n2cc(C[NH3+])cn2)CC1 ZINC001168298013 964390518 /nfs/dbraw/zinc/39/05/18/964390518.db2.gz WNIHAEQCUTWPNW-UHFFFAOYSA-N 2 0 222.336 1.387 20 0 BDADRP CO[C@H]1CCC[N@@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168315962 964434599 /nfs/dbraw/zinc/43/45/99/964434599.db2.gz SOEIAFQPPMZHGW-RUXDESIVSA-N 2 0 240.391 1.970 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)C1(CO)CC1 ZINC000696046279 965230731 /nfs/dbraw/zinc/23/07/31/965230731.db2.gz XYGIHTXFSCHYPE-LLVKDONJSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@](C)(C(F)F)O1 ZINC000698774932 965496665 /nfs/dbraw/zinc/49/66/65/965496665.db2.gz MLTLMTXRILUAKD-SVDPJWKOSA-N 2 0 248.317 1.468 20 0 BDADRP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc[nH]2)CC1 ZINC001205264785 967454635 /nfs/dbraw/zinc/45/46/35/967454635.db2.gz MJEZLEXGSRYDRO-GFCCVEGCSA-N 2 0 207.321 1.718 20 0 BDADRP C[C@@H]1CC[N@H+](CCCCC[NH3+])CC[C@H]1C[NH3+] ZINC001205602799 967721356 /nfs/dbraw/zinc/72/13/56/967721356.db2.gz MOUGQKVKWIXZKG-OLZOCXBDSA-N 3 0 227.396 1.422 20 0 BDADRP CCCC[N@H+](C)CCNC(=O)C[NH2+]C(C)(C)C ZINC001251801500 968335787 /nfs/dbraw/zinc/33/57/87/968335787.db2.gz MJZGPFPRNAVNQR-UHFFFAOYSA-N 2 0 243.395 1.223 20 0 BDADRP CCCC[C@@H](O)C[N@H+](C)CC1CC[NH+](C)CC1 ZINC001252090500 968511617 /nfs/dbraw/zinc/51/16/17/968511617.db2.gz KVIBGODMTVUVLP-CQSZACIVSA-N 2 0 242.407 1.811 20 0 BDADRP CN(CC[NH+](C)C)CC(C)(C)C[NH+](C)C ZINC001207274507 968703425 /nfs/dbraw/zinc/70/34/25/968703425.db2.gz DBQYRGMQQVUWFY-UHFFFAOYSA-N 2 0 215.385 1.068 20 0 BDADRP CC[N@H+](CCC(=O)OC)CC(C)(C)C[NH+](C)C ZINC001207288206 968717843 /nfs/dbraw/zinc/71/78/43/968717843.db2.gz JNFLZZZJDJONTA-UHFFFAOYSA-N 2 0 244.379 1.459 20 0 BDADRP CSCC[N@H+](C)CC1CC[NH+](C)CC1 ZINC001207401013 968753086 /nfs/dbraw/zinc/75/30/86/968753086.db2.gz JGDZZTCNVSBKFJ-UHFFFAOYSA-N 2 0 216.394 1.623 20 0 BDADRP C[NH+]1CCC(CC[N@@H+]2CC[C@H](F)[C@@H](O)C2)CC1 ZINC001207479762 968795014 /nfs/dbraw/zinc/79/50/14/968795014.db2.gz MYQMOLUBOXYVPR-STQMWFEESA-N 2 0 244.354 1.123 20 0 BDADRP C[N@H+](CCC1CC[NH+](C)CC1)C1(C)COC1 ZINC001207486039 968796555 /nfs/dbraw/zinc/79/65/55/968796555.db2.gz BURBSANGVRONSS-UHFFFAOYSA-N 2 0 226.364 1.439 20 0 BDADRP Nc1cccc(N[C@@H]2CCC[C@@H]([NH3+])C2)[nH+]1 ZINC001154973854 968823471 /nfs/dbraw/zinc/82/34/71/968823471.db2.gz AJXWXNJMEAISBR-RKDXNWHRSA-N 2 0 206.293 1.346 20 0 BDADRP CC[NH+](CC)C[C@@H](O)CNc1cc(C)cc[nH+]1 ZINC001253174389 969099973 /nfs/dbraw/zinc/09/99/73/969099973.db2.gz NALHHWFTWZRSLN-LBPRGKRZSA-N 2 0 237.347 1.505 20 0 BDADRP C[NH+](C)CC1(C[N@@H+]2CC[C@@](C)(O)C2)CCCC1 ZINC001208185003 969118596 /nfs/dbraw/zinc/11/85/96/969118596.db2.gz SPEYBBNIOAILOB-CYBMUJFWSA-N 2 0 240.391 1.565 20 0 BDADRP Cc1cnc(N[C@@H](C)C[NH+](C)C)c(C[NH3+])c1 ZINC001155921115 969124117 /nfs/dbraw/zinc/12/41/17/969124117.db2.gz JOGDEVMLIOQSOQ-JTQLQIEISA-N 2 0 222.336 1.211 20 0 BDADRP CC[NH+]1CCC(C[N@H+](C)C2CCOCC2)CC1 ZINC001208592751 969150113 /nfs/dbraw/zinc/15/01/13/969150113.db2.gz AWHGGMXOYPKROO-UHFFFAOYSA-N 2 0 240.391 1.829 20 0 BDADRP CC[NH+]1CCC(C[NH+]2CCC(C)(O)CC2)CC1 ZINC001208593648 969150325 /nfs/dbraw/zinc/15/03/25/969150325.db2.gz YKJWDEQCGYJRAK-UHFFFAOYSA-N 2 0 240.391 1.565 20 0 BDADRP CC[NH+]1CCC(C[N@H+](C)[C@H]2CCOC2)CC1 ZINC001208597409 969150796 /nfs/dbraw/zinc/15/07/96/969150796.db2.gz HDKSETKGNRCLHK-ZDUSSCGKSA-N 2 0 226.364 1.439 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH+]2CCC3(CC3)C2)C1 ZINC001208606457 969156207 /nfs/dbraw/zinc/15/62/07/969156207.db2.gz GNZZVENPURSFBI-LBPRGKRZSA-N 2 0 208.349 1.814 20 0 BDADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C(C)(C)CC1CC1 ZINC001253410580 969165376 /nfs/dbraw/zinc/16/53/76/969165376.db2.gz MLMQJNYDXLFGIX-GFCCVEGCSA-N 2 0 242.407 1.904 20 0 BDADRP CC[N@@H+]1CCN(C[C@H]2CCC[NH+](C)C2)[C@H](C)C1 ZINC001208612573 969172475 /nfs/dbraw/zinc/17/24/75/969172475.db2.gz CAIRXDUZWIAGQM-KGLIPLIRSA-N 2 0 239.407 1.354 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(O)CCC1)C2 ZINC001169102285 969395413 /nfs/dbraw/zinc/39/54/13/969395413.db2.gz YXXNIFRSANPGLP-CNDDSTCGSA-N 2 0 224.348 1.116 20 0 BDADRP CC(C)[C@H](O)C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC001253778526 969400216 /nfs/dbraw/zinc/40/02/16/969400216.db2.gz SJYZZANECGYYAN-CHWSQXEVSA-N 2 0 228.380 1.325 20 0 BDADRP CC[NH+](CC)CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169082357 969401379 /nfs/dbraw/zinc/40/13/79/969401379.db2.gz YTBQUDKQJFNFCH-BTTYYORXSA-N 2 0 239.407 1.543 20 0 BDADRP COCC1([NH2+][C@@H]2CCC[N@H+](C)CC2)CCC1 ZINC001254500490 969659738 /nfs/dbraw/zinc/65/97/38/969659738.db2.gz IGMDPCIEVXTXDO-GFCCVEGCSA-N 2 0 226.364 1.629 20 0 BDADRP C[NH+](C)[C@H]1CCN([C@H]2CCC[N@H+](C)CC2)C1 ZINC001254516328 969693178 /nfs/dbraw/zinc/69/31/78/969693178.db2.gz LWMDVDJUEAXQNT-STQMWFEESA-N 2 0 225.380 1.107 20 0 BDADRP CC[N@H+](C1CCOCC1)[C@H]1CCC[NH+](C)CC1 ZINC001254522925 969708495 /nfs/dbraw/zinc/70/84/95/969708495.db2.gz KPFYWMJFJFETKY-ZDUSSCGKSA-N 2 0 240.391 1.972 20 0 BDADRP CC[N@H+](CC(C)(C)O)[C@H]1CCC[NH+](C)CC1 ZINC001254530241 969728666 /nfs/dbraw/zinc/72/86/66/969728666.db2.gz VNPWROFCLPQGRZ-LBPRGKRZSA-N 2 0 228.380 1.564 20 0 BDADRP CCC[NH+]1C[C@@H]2C[NH+]([C@@H]3CCSC3)C[C@H]2C1 ZINC001255292673 970051127 /nfs/dbraw/zinc/05/11/27/970051127.db2.gz HULZVRPQVCRDOR-JHJVBQTASA-N 2 0 240.416 1.766 20 0 BDADRP C[C@H]1CC[C@H]([NH+]2CCN(CCCC[NH3+])CC2)C1 ZINC001170121123 970357902 /nfs/dbraw/zinc/35/79/02/970357902.db2.gz LKEOXRQDELBLKK-KBPBESRZSA-N 2 0 239.407 1.532 20 0 BDADRP C[C@H](CC(F)(F)F)NC(=[NH2+])NCCCC[NH3+] ZINC001255634653 970410031 /nfs/dbraw/zinc/41/00/31/970410031.db2.gz BZHXTTOAHIYSHH-SSDOTTSWSA-N 2 0 240.273 1.180 20 0 BDADRP CC1C[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001255673695 970451931 /nfs/dbraw/zinc/45/19/31/970451931.db2.gz DMIYCQHRYFJSAU-FUNVUKJBSA-N 2 0 208.349 1.953 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H]1C[C@@H](CO)C1 ZINC001255942071 970574514 /nfs/dbraw/zinc/57/45/14/970574514.db2.gz BTZLDEIDDZQBCT-UPJWGTAASA-N 2 0 228.380 1.467 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H]1CCC[C@@H](O)C1 ZINC001255945563 970575647 /nfs/dbraw/zinc/57/56/47/970575647.db2.gz GNEAUQMHUOSJLH-HZSPNIEDSA-N 2 0 242.407 2.000 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]CC1CC(=O)C1 ZINC001255945722 970575146 /nfs/dbraw/zinc/57/51/46/970575146.db2.gz MZUQBBCHXQHBKG-NSHDSACASA-N 2 0 226.364 1.676 20 0 BDADRP CCC[C@H](CO)[NH2+][C@@H](C)CC[NH+](CC)CC ZINC001255947792 970580207 /nfs/dbraw/zinc/58/02/07/970580207.db2.gz WQCYTAGQWZSYMP-QWHCGFSZSA-N 2 0 230.396 1.857 20 0 BDADRP CC[NH+](CC)CC[C@H](C)NC1CC([NH3+])C1 ZINC001255948027 970580760 /nfs/dbraw/zinc/58/07/60/970580760.db2.gz CSIAUEYASICYKM-UNXYVOJBSA-N 2 0 213.369 1.186 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]C[C@H]1C[C@H](O)C1 ZINC001255946335 970581864 /nfs/dbraw/zinc/58/18/64/970581864.db2.gz SLLGWNDVBIVSOK-JHJVBQTASA-N 2 0 228.380 1.467 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](C)CC(=O)OC ZINC001255953183 970587491 /nfs/dbraw/zinc/58/74/91/970587491.db2.gz YJZBZEHDIZJXLD-RYUDHWBXSA-N 2 0 244.379 1.648 20 0 BDADRP CCN(CC[NH+](C)C)[C@H](C)CC[NH+](CC)CC ZINC001255955715 970594294 /nfs/dbraw/zinc/59/42/94/970594294.db2.gz WZIRCJPYTWDUQB-CQSZACIVSA-N 2 0 243.439 1.990 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N1CC[NH+](CC)CC1 ZINC001255955959 970598548 /nfs/dbraw/zinc/59/85/48/970598548.db2.gz XXIFNPATSBSMDU-CQSZACIVSA-N 2 0 241.423 1.744 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@@](C)(CO)C1 ZINC001255956509 970597820 /nfs/dbraw/zinc/59/78/20/970597820.db2.gz KUSNERYUAWSEKL-UONOGXRCSA-N 2 0 242.407 1.811 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[N@H+](C)CCC(=O)NC ZINC001255960217 970599865 /nfs/dbraw/zinc/59/98/65/970599865.db2.gz FXXDKMOBDLLECA-GFCCVEGCSA-N 2 0 243.395 1.175 20 0 BDADRP CN1CCC([NH2+][C@H]2CC[C@H]([NH+](C)C)CC2)CC1 ZINC001256198258 970698350 /nfs/dbraw/zinc/69/83/50/970698350.db2.gz HKSXIJPLIRXXOK-MQMHXKEQSA-N 2 0 239.407 1.543 20 0 BDADRP C[NH+]1CCC([N@@H+]2CC[C@H]3COC[C@@H]3C2)CC1 ZINC001256208324 970714023 /nfs/dbraw/zinc/71/40/23/970714023.db2.gz FIMYHEAGRMLWSM-RYUDHWBXSA-N 2 0 224.348 1.049 20 0 BDADRP CC[N@H+](C)C1CCN(C2CC[NH+](C)CC2)CC1 ZINC001256209950 970716830 /nfs/dbraw/zinc/71/68/30/970716830.db2.gz YEPORNNCKBIJEZ-UHFFFAOYSA-N 2 0 239.407 1.497 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCCC[NH+](C)C)CO1 ZINC000401940095 970750953 /nfs/dbraw/zinc/75/09/53/970750953.db2.gz OHHZNYJWYBPVAV-MNOVXSKESA-N 2 0 200.326 1.095 20 0 BDADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH3+] ZINC001332980856 975353548 /nfs/dbraw/zinc/35/35/48/975353548.db2.gz IXTRMRDCJCYOFR-NWDGAFQWSA-N 2 0 241.379 1.057 20 0 BDADRP CCOC(=O)C[C@@H]1CC[C@H]([NH2+]CCCC[NH3+])C1 ZINC001173620379 975484478 /nfs/dbraw/zinc/48/44/78/975484478.db2.gz GSEJJTPAVDTOGN-NEPJUHHUSA-N 2 0 242.363 1.437 20 0 BDADRP CON1CCC([NH2+]CCC[NH+]2CCCC2)CC1 ZINC000323088286 975533171 /nfs/dbraw/zinc/53/31/71/975533171.db2.gz XBWHEULEMYUKHO-UHFFFAOYSA-N 2 0 241.379 1.088 20 0 BDADRP CC[C@H](N)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235429465 979045968 /nfs/dbraw/zinc/04/59/68/979045968.db2.gz YDSUAHLXRSAQJW-MJBXVCDLSA-N 2 0 239.407 1.435 20 0 BDADRP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1CCC1CC[NH2+]CC1 ZINC001235892324 979184171 /nfs/dbraw/zinc/18/41/71/979184171.db2.gz PEYLVBHQGUNHCF-YPMHNXCESA-N 3 0 225.380 1.188 20 0 BDADRP CN(CC[C@@H]1CCCC[NH2+]1)C[C@@H]1CCC[NH2+]C1 ZINC001235951862 979201645 /nfs/dbraw/zinc/20/16/45/979201645.db2.gz USBRRMUYDAUIDU-KGLIPLIRSA-N 2 0 239.407 1.450 20 0 BDADRP CC(C)[NH2+]CCCNC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000151817705 979266449 /nfs/dbraw/zinc/26/64/49/979266449.db2.gz KYHLEUKNUVTRDQ-VXGBXAGGSA-N 2 0 241.379 1.008 20 0 BDADRP CS[C@H](C)CC[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235990769 979276586 /nfs/dbraw/zinc/27/65/86/979276586.db2.gz COCBQRGMOKFFNZ-YIBTVLSRSA-N 2 0 244.404 1.034 20 0 BDADRP CC(C)N(CC[C@@H]1CCC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC001236526632 979613989 /nfs/dbraw/zinc/61/39/89/979613989.db2.gz KWXYRAJCGMEAFQ-UONOGXRCSA-N 2 0 239.407 1.448 20 0 BDADRP CCCN(C[C@@H]1CC[NH2+]C1)C[C@@H]1CCCC[NH2+]1 ZINC001236833124 979746273 /nfs/dbraw/zinc/74/62/73/979746273.db2.gz YUMDOALEMCZPAY-KGLIPLIRSA-N 2 0 239.407 1.450 20 0 BDADRP [NH3+]CCCCCN(C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237142808 979822286 /nfs/dbraw/zinc/82/22/86/979822286.db2.gz BXNODBLMBXHMOI-CQSZACIVSA-N 2 0 239.407 1.722 20 0 BDADRP CC(C)C[N@H+](C)CCCNc1cc[nH+]cc1 ZINC001347798638 981179992 /nfs/dbraw/zinc/17/99/92/981179992.db2.gz WEHXXBIPVJIEFO-UHFFFAOYSA-N 2 0 221.348 1.893 20 0 BDADRP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2CCO)CC1 ZINC001196934828 982500243 /nfs/dbraw/zinc/50/02/43/982500243.db2.gz FBYMQWJOYVTLIJ-CQSZACIVSA-N 2 0 240.391 1.565 20 0 BDADRP CCCC[C@H](O)C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001252093623 983531865 /nfs/dbraw/zinc/53/18/65/983531865.db2.gz IVHSPAUFAKNGMB-ZDUSSCGKSA-N 2 0 240.391 1.565 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CC1CCSCC1 ZINC000925488095 983770944 /nfs/dbraw/zinc/77/09/44/983770944.db2.gz QAGAPGFAZACUIS-NSHDSACASA-N 2 0 228.405 1.860 20 0 BDADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC001358005047 983813927 /nfs/dbraw/zinc/81/39/27/983813927.db2.gz UPBDZZKTECLAOT-BJDJZHNGSA-N 2 0 241.379 1.136 20 0 BDADRP Nc1ccc(C[NH2+]C2CC[NH2+]CC2)cc1 ZINC000150032766 983965173 /nfs/dbraw/zinc/96/51/73/983965173.db2.gz GGDNXVHRBUSGFW-UHFFFAOYSA-N 2 0 205.305 1.110 20 0 BDADRP C(C[N@@H+]1CCCC[C@]12CCOC2)C1C[NH2+]C1 ZINC001574800617 984115338 /nfs/dbraw/zinc/11/53/38/984115338.db2.gz JRLUELDVWSVDIV-CYBMUJFWSA-N 2 0 224.348 1.241 20 0 BDADRP CC(C)OCC[C@H](C)[NH2+]CCCC[NH3+] ZINC001172438748 974796015 /nfs/dbraw/zinc/79/60/15/974796015.db2.gz VSTQDFFYRKRFMH-NSHDSACASA-N 2 0 202.342 1.519 20 0 BDADRP C[NH2+][C@@H](C)CC[NH2+][C@H](COC)C(C)C ZINC001327840659 972754814 /nfs/dbraw/zinc/75/48/14/972754814.db2.gz RGDGBMPVSNYLKY-WDEREUQCSA-N 2 0 202.342 1.245 20 0 BDADRP C[C@@H]1CC[C@H](C[NH3+])N([C@@H]2CCC[N@H+](C)C2)C1 ZINC001246559562 972789049 /nfs/dbraw/zinc/78/90/49/972789049.db2.gz RYYUDJJMEARDKW-JHJVBQTASA-N 2 0 225.380 1.140 20 0 BDADRP CC(C)C[C@H](C)C[C@H](C)N(CC[NH3+])CC[NH3+] ZINC001246835181 973130222 /nfs/dbraw/zinc/13/02/22/973130222.db2.gz VUUCSQMYCHULQF-STQMWFEESA-N 2 0 229.412 1.667 20 0 BDADRP CN(CC[NH+](C)C)C1CC[NH+](C(C)(C)C)CC1 ZINC001256569238 970866381 /nfs/dbraw/zinc/86/63/81/970866381.db2.gz WSFCWAWWUJFRDH-UHFFFAOYSA-N 2 0 241.423 1.743 20 0 BDADRP C[C@@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[C@@H]1O ZINC001256624336 970889826 /nfs/dbraw/zinc/88/98/26/970889826.db2.gz WZGBSMVVZCKLGF-YIPFDTCYSA-N 2 0 238.375 1.314 20 0 BDADRP C([NH2+]C1CCC([NH+]2CCOCC2)CC1)C1CC1 ZINC001256675876 970912092 /nfs/dbraw/zinc/91/20/92/970912092.db2.gz LXBHKIZVBZNSKE-UHFFFAOYSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@@H](Cc1ccncc1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC001256721954 970944214 /nfs/dbraw/zinc/94/42/14/970944214.db2.gz ZQJIXJNSUIDKGB-DZGCQCFKSA-N 2 0 247.386 1.944 20 0 BDADRP C[C@H](C[NH3+])CN[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256910398 971018251 /nfs/dbraw/zinc/01/82/51/971018251.db2.gz ZFQDKGGBFGRYCZ-OLZOCXBDSA-N 2 0 239.407 1.578 20 0 BDADRP CC(C)[NH+]1CCC(N[C@H](C)c2cncnc2)CC1 ZINC001257205878 971123663 /nfs/dbraw/zinc/12/36/63/971123663.db2.gz REXUYQAOXXUTGA-GFCCVEGCSA-N 2 0 248.374 2.000 20 0 BDADRP CC(C)[NH+]1CCC(n2ccnc2[C@H](C)[NH3+])CC1 ZINC001257202066 971123785 /nfs/dbraw/zinc/12/37/85/971123785.db2.gz POBQIQNWXNOTSN-NSHDSACASA-N 2 0 236.363 1.948 20 0 BDADRP CC(C)[NH+]1CCC([N@@H+]2CCC[C@H](CO)C2)CC1 ZINC001257213620 971126055 /nfs/dbraw/zinc/12/60/55/971126055.db2.gz RNCHZNDQDXFIIM-ZDUSSCGKSA-N 2 0 240.391 1.564 20 0 BDADRP CCC[C@H](CC)[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001257268313 971173115 /nfs/dbraw/zinc/17/31/15/971173115.db2.gz GEDWEAQPBINXQI-ZDUSSCGKSA-N 2 0 239.407 1.497 20 0 BDADRP CCc1cc(NC[C@@H]2COCC[NH2+]2)cc[nH+]1 ZINC000307794366 971178237 /nfs/dbraw/zinc/17/82/37/971178237.db2.gz WROATAMHSIMLAE-GFCCVEGCSA-N 2 0 221.304 1.044 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCSC(F)(F)F ZINC000404758080 971179071 /nfs/dbraw/zinc/17/90/71/971179071.db2.gz GRLRNTDNPPHWHF-RQJHMYQMSA-N 2 0 242.310 1.955 20 0 BDADRP CCO[C@@H]1C[N@H+](CCCC2CC2)C[C@H]1C[NH3+] ZINC000405216238 971206303 /nfs/dbraw/zinc/20/63/03/971206303.db2.gz NOEHURHBSMCRQR-CHWSQXEVSA-N 2 0 226.364 1.472 20 0 BDADRP CC[NH+](CC)C[C@@H](C)OC[C@@H]1CCC[N@@H+]1C ZINC001224818310 973997244 /nfs/dbraw/zinc/99/72/44/973997244.db2.gz JMFZHEQROBVAJK-OLZOCXBDSA-N 2 0 228.380 1.828 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2nccs2)C12CCC2 ZINC000405228039 971211861 /nfs/dbraw/zinc/21/18/61/971211861.db2.gz FAJDQTMVFFUPGS-VHSXEESVSA-N 2 0 237.372 1.545 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405247287 971219845 /nfs/dbraw/zinc/21/98/45/971219845.db2.gz DGJVOYGMPNQOOX-OLZOCXBDSA-N 2 0 239.407 1.576 20 0 BDADRP CC[N@@H+]1CC[C@H](CN[C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000405242434 971218443 /nfs/dbraw/zinc/21/84/43/971218443.db2.gz WXCRCUUJACJLQT-JHJVBQTASA-N 2 0 237.391 1.188 20 0 BDADRP Cc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)cn1 ZINC000405270898 971224728 /nfs/dbraw/zinc/22/47/28/971224728.db2.gz UPLMZOIVYFROKC-STQMWFEESA-N 2 0 231.343 1.750 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCCOC(F)(F)F ZINC000405306837 971230045 /nfs/dbraw/zinc/23/00/45/971230045.db2.gz XYZPYNHUBVSEKY-HTQZYQBOSA-N 2 0 240.269 1.628 20 0 BDADRP CC[C@H](C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)OC ZINC000405316515 971233286 /nfs/dbraw/zinc/23/32/86/971233286.db2.gz RRYGEXINEUJMOP-VWYCJHECSA-N 2 0 212.337 1.271 20 0 BDADRP CCOCCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405340423 971234936 /nfs/dbraw/zinc/23/49/36/971234936.db2.gz HTFZDBARJRQQMS-MNOVXSKESA-N 2 0 212.337 1.273 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CC2(O)CCCCC2)C12CCC2 ZINC000405336926 971235243 /nfs/dbraw/zinc/23/52/43/971235243.db2.gz FVJKFQDUYRYZDC-NEPJUHHUSA-N 2 0 238.375 1.541 20 0 BDADRP CCOCC(C)(C)C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405333125 971236669 /nfs/dbraw/zinc/23/66/69/971236669.db2.gz FDGDFVDSXAWGGK-RYUDHWBXSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H]1CSC[C@@H]1[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405405049 971254396 /nfs/dbraw/zinc/25/43/96/971254396.db2.gz RJOBJMJCLGBMDJ-YTWAJWBKSA-N 2 0 226.389 1.597 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)[C@@H]1CCOC1 ZINC000405452852 971259571 /nfs/dbraw/zinc/25/95/71/971259571.db2.gz YCLUMFBYOZMOAX-WHOHXGKFSA-N 2 0 224.348 1.271 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCCOCC2)C12CCC2 ZINC000405456801 971261360 /nfs/dbraw/zinc/26/13/60/971261360.db2.gz YWCTYIXWZIHEDL-IJLUTSLNSA-N 2 0 224.348 1.415 20 0 BDADRP C1CC1c1nnc([C@@H]2C[NH2+]CC23CC[NH2+]CC3)o1 ZINC001217704987 971344205 /nfs/dbraw/zinc/34/42/05/971344205.db2.gz KBAQMRGJGUHBRK-JTQLQIEISA-N 2 0 248.330 1.004 20 0 BDADRP C[C@@H]1C[C@H]1c1nnc(C[C@@H]([NH3+])CCCC[NH3+])o1 ZINC001217716947 971354069 /nfs/dbraw/zinc/35/40/69/971354069.db2.gz DJDJOIJMNMRWRY-KXUCPTDWSA-N 2 0 238.335 1.192 20 0 BDADRP C(CC1CC1)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000406074692 971369676 /nfs/dbraw/zinc/36/96/76/971369676.db2.gz SLUFIACHSXYLJK-QWHCGFSZSA-N 2 0 208.349 1.718 20 0 BDADRP C[NH2+][C@H]1C[C@H](OCC2(C)CC[NH2+]CC2)C1 ZINC001217765603 971392881 /nfs/dbraw/zinc/39/28/81/971392881.db2.gz YFRQDCMZTGCGQP-XYPYZODXSA-N 2 0 212.337 1.143 20 0 BDADRP C(CO[C@@H]1CCC[NH2+]C1)C[C@H]1CCC[NH2+]C1 ZINC001217768487 971394539 /nfs/dbraw/zinc/39/45/39/971394539.db2.gz NBNOEMUAMFAWAC-CHWSQXEVSA-N 2 0 226.364 1.535 20 0 BDADRP F[C@H]1C[NH2+]C[C@@H]1OCCC[C@@H]1CCC[NH2+]C1 ZINC001217783543 971404611 /nfs/dbraw/zinc/40/46/11/971404611.db2.gz XNUPVOVZOIHYOA-SRVKXCTJSA-N 2 0 230.327 1.093 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1OCC[C@@H]1CCC[NH2+]C1 ZINC001217789539 971408316 /nfs/dbraw/zinc/40/83/16/971408316.db2.gz PHDSQMTUXVCDEP-RDBSUJKOSA-N 2 0 240.391 1.781 20 0 BDADRP C(O[C@H]1CCC[C@]12CC[NH2+]C2)[C@@H]1CCC[NH2+]C1 ZINC001217804138 971415065 /nfs/dbraw/zinc/41/50/65/971415065.db2.gz VQIJQBYLKMUGGR-HZSPNIEDSA-N 2 0 238.375 1.535 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1OCCC1CC[NH2+]CC1 ZINC001217791123 971409889 /nfs/dbraw/zinc/40/98/89/971409889.db2.gz VCXYZIOEYDBQLD-JSGCOSHPSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1OC[C@H]1CCC[NH2+]C1 ZINC001217790711 971411320 /nfs/dbraw/zinc/41/13/20/971411320.db2.gz XNYDITNKACXVOH-GRYCIOLGSA-N 2 0 212.337 1.001 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1OCCC1CC[NH2+]CC1 ZINC001217791122 971411519 /nfs/dbraw/zinc/41/15/19/971411519.db2.gz VCXYZIOEYDBQLD-GXTWGEPZSA-N 2 0 240.391 1.781 20 0 BDADRP C(O[C@@H]1CC[C@]12CC[NH2+]C2)[C@@H]1CCC[NH2+]C1 ZINC001217809082 971414587 /nfs/dbraw/zinc/41/45/87/971414587.db2.gz PPJXBHSWFXDICF-JHJVBQTASA-N 2 0 224.348 1.145 20 0 BDADRP C(O[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21)[C@@H]1CCC[NH2+]1 ZINC001217813921 971416981 /nfs/dbraw/zinc/41/69/81/971416981.db2.gz UIDDMSFVEMBPJS-MROQNXINSA-N 2 0 224.348 1.143 20 0 BDADRP CC(C)(C)[NH+]1CC(OC[C@@H]2CCC[NH2+]C2)C1 ZINC001217829387 971424071 /nfs/dbraw/zinc/42/40/71/971424071.db2.gz JHZWUCUDLWNQIS-LLVKDONJSA-N 2 0 226.364 1.485 20 0 BDADRP C(O[C@@H]1CCC2(C[NH2+]C2)C1)[C@H]1CCC[NH2+]C1 ZINC001217845696 971443054 /nfs/dbraw/zinc/44/30/54/971443054.db2.gz BWFOEJSFEMCQKN-NWDGAFQWSA-N 2 0 224.348 1.145 20 0 BDADRP C(C[C@H]1CCC[NH2+]C1)O[C@H]1CCC[NH2+]C1 ZINC001217861451 971454184 /nfs/dbraw/zinc/45/41/84/971454184.db2.gz VWBKYZDOZHJPPX-NEPJUHHUSA-N 2 0 212.337 1.145 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+][C@H]2CCCSC2)C1 ZINC001257658134 971457147 /nfs/dbraw/zinc/45/71/47/971457147.db2.gz PNSFULHJDVNAFF-AXFHLTTASA-N 2 0 214.378 1.742 20 0 BDADRP CC(C)([NH3+])C(C)(C)[NH2+][C@@H]1CCCSC1 ZINC001257663872 971457688 /nfs/dbraw/zinc/45/76/88/971457688.db2.gz IRAGKTHSMHPCMC-SECBINFHSA-N 2 0 216.394 1.988 20 0 BDADRP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+]([C@H]1CCCSC1)C2 ZINC001257682713 971485459 /nfs/dbraw/zinc/48/54/59/971485459.db2.gz IZCYTAOVJKPGLR-FRRDWIJNSA-N 2 0 240.416 1.766 20 0 BDADRP CC[N@@H+]1CCC[C@H](OC[C@H]2CCC[NH2+]C2)C1 ZINC001217889983 971486119 /nfs/dbraw/zinc/48/61/19/971486119.db2.gz JWQDXZPDGDKUQE-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP CC[N@H+]1C[C@@H]2C[NH+]([C@H]3CCCSC3)C[C@@H]2C1 ZINC001257683207 971490293 /nfs/dbraw/zinc/49/02/93/971490293.db2.gz ILLUFDFDYKTNNO-XQQFMLRXSA-N 2 0 240.416 1.766 20 0 BDADRP [NH3+]CCCO[C@H]1CCN2Cc3ccccc3[NH+]=C12 ZINC001217898528 971501256 /nfs/dbraw/zinc/50/12/56/971501256.db2.gz CFBGMOJINQPJAP-ZDUSSCGKSA-N 2 0 245.326 1.670 20 0 BDADRP C[C@H]1CC[C@@H](OCC(C)(C)C[NH3+])C[NH2+]1 ZINC001217910523 971513168 /nfs/dbraw/zinc/51/31/68/971513168.db2.gz JFESKDPYKPAFQH-VHSXEESVSA-N 2 0 200.326 1.128 20 0 BDADRP C[C@H]1CC[C@@H](OCCC2CC[NH2+]CC2)C[NH2+]1 ZINC001217913106 971512103 /nfs/dbraw/zinc/51/21/03/971512103.db2.gz RGYHPLOMZNVOBT-WCQYABFASA-N 2 0 226.364 1.533 20 0 BDADRP C[NH2+][C@H]1C[C@H](Oc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001217948418 971540815 /nfs/dbraw/zinc/54/08/15/971540815.db2.gz HUKBBZHDZBTGQM-MQMHXKEQSA-N 2 0 232.327 1.462 20 0 BDADRP C(CO[C@@H]1[C@@H]2CC[C@H]1[NH2+]C2)C[C@@H]1CCC[NH2+]C1 ZINC001217925236 971529958 /nfs/dbraw/zinc/52/99/58/971529958.db2.gz QJIGVQASKFCWDK-REWJHTLYSA-N 2 0 238.375 1.533 20 0 BDADRP FC1(F)CC[NH2+]C[C@H]1OCC[C@H]1CCC[NH2+]C1 ZINC001217929100 971533145 /nfs/dbraw/zinc/53/31/45/971533145.db2.gz YOFPIRCSUMALCR-GHMZBOCLSA-N 2 0 248.317 1.390 20 0 BDADRP C(O[C@@H]1CC[C@H]2C[NH2+]C[C@@H]21)[C@@H]1CCC[NH2+]C1 ZINC001217934977 971534902 /nfs/dbraw/zinc/53/49/02/971534902.db2.gz BPFMILIRTRMRIH-MROQNXINSA-N 2 0 224.348 1.001 20 0 BDADRP C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2OCCC[NH3+] ZINC001217932993 971535458 /nfs/dbraw/zinc/53/54/58/971535458.db2.gz GHNWINCDUCUOSZ-ZSBIGDGJSA-N 2 0 212.337 1.082 20 0 BDADRP C(CO[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C[C@@H]1CCC[NH2+]C1 ZINC001217934811 971536911 /nfs/dbraw/zinc/53/69/11/971536911.db2.gz VKGMTJSWSNECJT-IGQOVBAYSA-N 2 0 238.375 1.676 20 0 BDADRP CC(C)C[NH+]1CCC([NH2+]C[C@@H]2CCO2)CC1 ZINC001258002853 971552739 /nfs/dbraw/zinc/55/27/39/971552739.db2.gz JBFSBIVOUXUQKI-ZDUSSCGKSA-N 2 0 226.364 1.485 20 0 BDADRP CO[C@@H]1CC[N@@H+](C2CC[NH+](CC(C)C)CC2)C1 ZINC001258012689 971552991 /nfs/dbraw/zinc/55/29/91/971552991.db2.gz FZMUTDHGMWYPPR-CQSZACIVSA-N 2 0 240.391 1.828 20 0 BDADRP C[C@H]1C[NH2+]CCC[C@@H]1Oc1ccc(CC[NH3+])cc1 ZINC001217989063 971562946 /nfs/dbraw/zinc/56/29/46/971562946.db2.gz RRXDXSKWWWRXSA-WFASDCNBSA-N 2 0 248.370 1.955 20 0 BDADRP C[C@@H]1C[C@H](Oc2ccc3c(c2)CC[NH2+]C3)C[NH2+]1 ZINC001218045400 971587939 /nfs/dbraw/zinc/58/79/39/971587939.db2.gz KXSVHSNOVAJZAF-YGRLFVJLSA-N 2 0 232.327 1.462 20 0 BDADRP [NH3+][C@@H]1CCN(CC[C@H]2CCCC[NH2+]2)CC[C@@H]1F ZINC001206155418 974265100 /nfs/dbraw/zinc/26/51/00/974265100.db2.gz LJCCLLCNVYQCGG-FRRDWIJNSA-N 2 0 243.370 1.280 20 0 BDADRP c1cc(O[C@H]2C[C@H]3C[NH2+]C[C@H]3C2)cc2c1C[NH2+]C2 ZINC001218135455 971604070 /nfs/dbraw/zinc/60/40/70/971604070.db2.gz WQDAMSBBQPURSY-AGGWBTHJSA-N 2 0 244.338 1.667 20 0 BDADRP c1cc(O[C@@H]2CCC23C[NH2+]C3)cc2c1C[NH2+]C2 ZINC001218240466 971647279 /nfs/dbraw/zinc/64/72/79/971647279.db2.gz DMRZGEGKZSUQHM-CYBMUJFWSA-N 2 0 230.311 1.421 20 0 BDADRP CCC(=O)C(C)(C)C[N@@H+]1CC[C@@H](N)[C@H](F)CC1 ZINC001206156715 974330437 /nfs/dbraw/zinc/33/04/37/974330437.db2.gz SIBRLEPQOQWHRV-GHMZBOCLSA-N 2 0 244.354 1.753 20 0 BDADRP C1=C[C@@H](Oc2ccc3c(c2)CC[NH2+]C3)C[NH2+]C1 ZINC001218329026 971710207 /nfs/dbraw/zinc/71/02/07/971710207.db2.gz QJWCWCGRZYTKPL-CQSZACIVSA-N 2 0 230.311 1.239 20 0 BDADRP [NH3+]Cc1cccc(O[C@@H]2C=CC[NH2+]C2)c1 ZINC001218334050 971713049 /nfs/dbraw/zinc/71/30/49/971713049.db2.gz KOBLLDZJITUAPG-GFCCVEGCSA-N 2 0 204.273 1.052 20 0 BDADRP [NH3+]Cc1cccc(O[C@@H]2C[C@@H]3C[NH2+]C[C@H]23)c1 ZINC001218330881 971713360 /nfs/dbraw/zinc/71/33/60/971713360.db2.gz OXLMVLWYZJIYGM-KGYLQXTDSA-N 2 0 218.300 1.132 20 0 BDADRP CCC[N@H+](CCC[NH3+])[C@@H]1CCCOCC1 ZINC001170776842 971804173 /nfs/dbraw/zinc/80/41/73/971804173.db2.gz VYNPMDMUFUXPNL-GFCCVEGCSA-N 2 0 214.353 1.616 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1Oc1cccc2c1C[NH2+]C2 ZINC001218483727 971830166 /nfs/dbraw/zinc/83/01/66/971830166.db2.gz APANNRGQPSXMJC-YGRLFVJLSA-N 2 0 232.327 1.667 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1Oc1ccc2c(c1)CC[NH2+]C2 ZINC001218482494 971831460 /nfs/dbraw/zinc/83/14/60/971831460.db2.gz WJLQHFBOMWLOGB-ABAIWWIYSA-N 2 0 246.354 1.709 20 0 BDADRP CC[C@H](C)C[NH2+]CCNC(=O)C[NH+](CC)CC ZINC001135510816 971907632 /nfs/dbraw/zinc/90/76/32/971907632.db2.gz GCCTUNQNZPOKPT-LBPRGKRZSA-N 2 0 243.395 1.080 20 0 BDADRP Cc1ccc(N[C@@H](C)[C@H]2C[NH2+]CCO2)[nH+]c1C ZINC001159494822 971937262 /nfs/dbraw/zinc/93/72/62/971937262.db2.gz AANPZQLJOVQVOO-NWDGAFQWSA-N 2 0 235.331 1.487 20 0 BDADRP CN1CCC[C@@H]2C[N@@H+]([C@@H]3CCCOCC3)C[C@H]21 ZINC001170832576 971943887 /nfs/dbraw/zinc/94/38/87/971943887.db2.gz BFVQGSRYXSMNRK-MGPQQGTHSA-N 2 0 238.375 1.582 20 0 BDADRP C=Cc1ccc(NC(=O)[C@@H]([NH3+])CCC[NH3+])cc1 ZINC001218840867 971951784 /nfs/dbraw/zinc/95/17/84/971951784.db2.gz HHIHODFOXIJAIU-LBPRGKRZSA-N 2 0 233.315 1.334 20 0 BDADRP C[NH2+]CCC(=O)Nc1ccc([C@H]2CC[NH2+]C2)cc1 ZINC001218998011 971972474 /nfs/dbraw/zinc/97/24/74/971972474.db2.gz XMYHFDBSDKGPPW-LBPRGKRZSA-N 2 0 247.342 1.312 20 0 BDADRP C[C@@]1(C(=O)Nc2cccc3c2C[NH2+]C3)CC[NH2+]C1 ZINC001218992758 971971002 /nfs/dbraw/zinc/97/10/02/971971002.db2.gz DUQIDMUODBXDDE-CQSZACIVSA-N 2 0 245.326 1.228 20 0 BDADRP C[C@@H]([NH3+])C(=O)Nc1ccc([C@H]2CC[NH2+]C2)cc1 ZINC001218997436 971971487 /nfs/dbraw/zinc/97/14/87/971971487.db2.gz UNQGAJXUJITZQA-KOLCDFICSA-N 2 0 233.315 1.049 20 0 BDADRP Cc1c(C)c(N[C@H]([NH3+])CCC[NH3+])nnc1Cl ZINC001170894178 972044013 /nfs/dbraw/zinc/04/40/13/972044013.db2.gz HYYVSAQEJXSEEO-QMMMGPOBSA-N 2 0 243.742 1.182 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc(-n2cccc2)cn1 ZINC001170898302 972055376 /nfs/dbraw/zinc/05/53/76/972055376.db2.gz SBSOMGZUWFLGIE-LBPRGKRZSA-N 2 0 245.330 1.308 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ncc2ccc(F)cc2n1 ZINC001170895517 972050555 /nfs/dbraw/zinc/05/05/55/972050555.db2.gz UELOEDGUTUACTG-NSHDSACASA-N 2 0 249.293 1.205 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1nncc2cc(F)ccc21 ZINC001170898471 972054163 /nfs/dbraw/zinc/05/41/63/972054163.db2.gz ODNUDPMURDRNCZ-LLVKDONJSA-N 2 0 249.293 1.205 20 0 BDADRP Cc1nc(Cl)c(C)c(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001170898814 972061246 /nfs/dbraw/zinc/06/12/46/972061246.db2.gz PHMMNIDDVSIWRP-QMMMGPOBSA-N 2 0 243.742 1.182 20 0 BDADRP Cc1cncc(N[C@@H]([NH3+])CCC[NH3+])c1C ZINC001170899759 972064368 /nfs/dbraw/zinc/06/43/68/972064368.db2.gz FFZXIRZZWOIASK-LLVKDONJSA-N 2 0 208.309 1.134 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1cc(F)cc2cc[nH]c21 ZINC001170900151 972064883 /nfs/dbraw/zinc/06/48/83/972064883.db2.gz PCPKBWPUBVSJGJ-NSHDSACASA-N 2 0 236.294 1.743 20 0 BDADRP CCc1cc2cc(N[C@@H]([NH3+])CCC[NH3+])cnc2[nH]1 ZINC001170900758 972068116 /nfs/dbraw/zinc/06/81/16/972068116.db2.gz XVPHSFIECZFMNX-GFCCVEGCSA-N 2 0 247.346 1.561 20 0 BDADRP CCc1ccc(F)c(N[C@@H]([NH3+])CCC[NH3+])c1 ZINC001170903469 972074637 /nfs/dbraw/zinc/07/46/37/972074637.db2.gz KBAFHBZVCHKEDL-GFCCVEGCSA-N 2 0 225.311 1.824 20 0 BDADRP CC(C)(C)c1ncncc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170905741 972080050 /nfs/dbraw/zinc/08/00/50/972080050.db2.gz VMURWOLEZJCIGH-SNVBAGLBSA-N 2 0 237.351 1.210 20 0 BDADRP Cc1c2[nH]ccc2ccc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170902160 972075924 /nfs/dbraw/zinc/07/59/24/972075924.db2.gz BRAMAAWBBFEGNA-GFCCVEGCSA-N 2 0 232.331 1.912 20 0 BDADRP Cc1cc2cc(N[C@@H]([NH3+])CCC[NH3+])ccc2c[nH+]1 ZINC001170904822 972081590 /nfs/dbraw/zinc/08/15/90/972081590.db2.gz PZDJKGVUOYRQGL-CQSZACIVSA-N 3 0 244.342 1.979 20 0 BDADRP CC(C)Cc1cc(N[C@@H]([NH3+])CCC[NH3+])ncn1 ZINC001159787630 972116774 /nfs/dbraw/zinc/11/67/74/972116774.db2.gz AJOUWFIXXCIIIY-LLVKDONJSA-N 2 0 237.351 1.111 20 0 BDADRP CCCC[C@H](O)CN1CCCC[C@](F)(C[NH3+])C1 ZINC001246019562 972119656 /nfs/dbraw/zinc/11/96/56/972119656.db2.gz FYOIDXUBOYKYQX-STQMWFEESA-N 2 0 246.370 1.690 20 0 BDADRP CC[C@@H](O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001246019515 972119716 /nfs/dbraw/zinc/11/97/16/972119716.db2.gz IPNVNMHRLXJTBK-GRYCIOLGSA-N 2 0 214.353 1.064 20 0 BDADRP C[C@@]1(CN[C@H]2CCC[NH2+]C2)CCCC[NH2+]C1 ZINC001246090086 972142562 /nfs/dbraw/zinc/14/25/62/972142562.db2.gz INKOQQJXDVZCIO-QWHCGFSZSA-N 2 0 225.380 1.108 20 0 BDADRP C[C@H]1CCC[C@@H]([NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)C1 ZINC001246086017 972139668 /nfs/dbraw/zinc/13/96/68/972139668.db2.gz YSXJVMLXCDEMBV-QNWHQSFQSA-N 2 0 244.354 1.217 20 0 BDADRP CC[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](C)NC2)CCO1 ZINC001246085235 972140758 /nfs/dbraw/zinc/14/07/58/972140758.db2.gz QCRWSHQDQCBANL-RNJOBUHISA-N 2 0 226.364 1.674 20 0 BDADRP C[NH2+]C1CCC([NH2+][C@H]2CCCC[NH2+]C2)CC1 ZINC001246091881 972146285 /nfs/dbraw/zinc/14/62/85/972146285.db2.gz QWXUKRBGTFAGBA-BPCQOVAHSA-N 3 0 225.380 1.249 20 0 BDADRP C[C@H]1C[NH2+]C[C@H](CNC2C[C@@H](C)[NH2+][C@H](C)C2)C1 ZINC001246102713 972160686 /nfs/dbraw/zinc/16/06/86/972160686.db2.gz SPXASISNCLYXKH-FDYHWXHSSA-N 2 0 239.407 1.351 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[NH2+]CC[C@@H]2C)CC[NH2+]1 ZINC001246104839 972167375 /nfs/dbraw/zinc/16/73/75/972167375.db2.gz BZFSFQOOFQQCER-RFQIPJPRSA-N 3 0 239.407 1.352 20 0 BDADRP [NH3+]CCCCCCCC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001220149954 972168624 /nfs/dbraw/zinc/16/86/24/972168624.db2.gz KANGBACHGZCOKC-TXEJJXNPSA-N 2 0 241.379 1.139 20 0 BDADRP C[C@H]1[NH2+]CCC[C@H]1C[NH2+]C1CCSCC1 ZINC001246114786 972177431 /nfs/dbraw/zinc/17/74/31/972177431.db2.gz XNDRIAGBFQMVTE-MNOVXSKESA-N 2 0 228.405 1.860 20 0 BDADRP C[C@@H]1CC[C@H](N[C@H]2CCC[NH2+]C[C@@H]2C)C[NH2+]1 ZINC001246120210 972186058 /nfs/dbraw/zinc/18/60/58/972186058.db2.gz ZHCVYUOQIVQTAJ-RNJOBUHISA-N 2 0 225.380 1.105 20 0 BDADRP CC1(C)CC[C@H]([NH2+][C@H]2C[NH2+]CC23CC3)C1 ZINC001246133509 972192188 /nfs/dbraw/zinc/19/21/88/972192188.db2.gz OCPIDJTZQMYZRG-QWRGUYRKSA-N 2 0 208.349 1.907 20 0 BDADRP CC1(C)CC[C@@H]([NH2+][C@@H]2C[NH2+]CC23CC3)C1 ZINC001246133507 972191479 /nfs/dbraw/zinc/19/14/79/972191479.db2.gz OCPIDJTZQMYZRG-GHMZBOCLSA-N 2 0 208.349 1.907 20 0 BDADRP C[C@H]1CC[C@@H]([NH2+]C23CCC([NH3+])(CC2)CC3)CN1 ZINC001246164192 972200331 /nfs/dbraw/zinc/20/03/31/972200331.db2.gz UBHLVQDFVPUIOQ-MRFVTOPCSA-N 2 0 237.391 1.521 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCCc2ccncc2)CC[NH2+]1 ZINC001246176255 972206209 /nfs/dbraw/zinc/20/62/09/972206209.db2.gz NUQDSWOGAVPHQO-TZMCWYRMSA-N 2 0 233.359 1.744 20 0 BDADRP CCC1(NC(=O)C[NH2+]CCC[NH3+])CCCCC1 ZINC001220338597 972211767 /nfs/dbraw/zinc/21/17/67/972211767.db2.gz FDFGMKXUYBOCFM-UHFFFAOYSA-N 2 0 241.379 1.154 20 0 BDADRP [NH3+][C@H]1C[C@@H](N[C@@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246191657 972211230 /nfs/dbraw/zinc/21/12/30/972211230.db2.gz WUTBQXIPDNUWNM-UPJWGTAASA-N 2 0 237.391 1.521 20 0 BDADRP Fc1cccc2c1C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)C2 ZINC001246198576 972214589 /nfs/dbraw/zinc/21/45/89/972214589.db2.gz QJHXVWIWNGJFFS-DGCLKSJQSA-N 2 0 248.345 1.882 20 0 BDADRP C([NH2+]C1CCC2(C[NH2+]C2)CC1)[C@H]1CCC[NH2+]C1 ZINC001246198508 972215011 /nfs/dbraw/zinc/21/50/11/972215011.db2.gz PYKQJWOYAWERGQ-LBPRGKRZSA-N 3 0 237.391 1.108 20 0 BDADRP C[C@H]1CC[C@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])CC2)CN1 ZINC001246203153 972217129 /nfs/dbraw/zinc/21/71/29/972217129.db2.gz QKXGGVHFZVLPLI-RVMXOQNASA-N 2 0 225.380 1.234 20 0 BDADRP CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CO1 ZINC000396492296 956884740 /nfs/dbraw/zinc/88/47/40/956884740.db2.gz LNVVXNOWMNKOSO-AXFHLTTASA-N 2 0 212.337 1.413 20 0 BDADRP C[N@H+]1C[C@@H]2C[NH+](CC3CCCC3)C[C@@H]2C1 ZINC000193614335 972229268 /nfs/dbraw/zinc/22/92/68/972229268.db2.gz XMRXUFVSBNBOFB-BETUJISGSA-N 2 0 208.349 1.670 20 0 BDADRP [NH3+]CCc1nn([C@H]2CCC[NH2+]C2)c2ccccc12 ZINC001246262100 972251578 /nfs/dbraw/zinc/25/15/78/972251578.db2.gz AAZXEPIUFSCRCA-NSHDSACASA-N 2 0 244.342 1.462 20 0 BDADRP C[C@H]1C[C@H](NCC2([NH3+])CCCCC2)CC[NH2+]1 ZINC001246277661 972253648 /nfs/dbraw/zinc/25/36/48/972253648.db2.gz ABUGCWITFCLINC-NWDGAFQWSA-N 2 0 225.380 1.378 20 0 BDADRP CCOC(=O)[C@H]1CCC[C@@H]([NH2+]CC[C@H](C)[NH3+])C1 ZINC001246305134 972268347 /nfs/dbraw/zinc/26/83/47/972268347.db2.gz NNOCJSHJGLGDGF-SDDRHHMPSA-N 2 0 242.363 1.435 20 0 BDADRP CC[N@H+]1C[C@@H]2C[NH+](C[C@@H]3C[C@H]3C)C[C@@H]2C1 ZINC001209428282 957452923 /nfs/dbraw/zinc/45/29/23/957452923.db2.gz RSVRKJFEQRTLNZ-XQHKEYJVSA-N 2 0 208.349 1.526 20 0 BDADRP C[C@@H]1CC[C@@H](NC[C@@H]([NH3+])Cc2ccccc2)C[NH2+]1 ZINC001246307822 972270977 /nfs/dbraw/zinc/27/09/77/972270977.db2.gz NHAPEJHMSJEZEU-VHDGCEQUSA-N 2 0 247.386 1.287 20 0 BDADRP C[C@@H](CO)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000166820345 957569764 /nfs/dbraw/zinc/56/97/64/957569764.db2.gz RBASYYNASZDJCT-LLVKDONJSA-N 2 0 226.364 1.079 20 0 BDADRP CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]C[C@@H]([NH3+])CC)C1 ZINC001246313761 972275997 /nfs/dbraw/zinc/27/59/97/972275997.db2.gz KZSVXMXGARPNDS-GRYCIOLGSA-N 2 0 242.363 1.435 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@@H](C)Cc1cccc(OC)c1 ZINC001246313716 972276030 /nfs/dbraw/zinc/27/60/30/972276030.db2.gz KKIKGDMNJCXTIF-WCQYABFASA-N 2 0 236.359 1.953 20 0 BDADRP C[N@@H+]1CC[C@H](Nc2cc(Cl)cc(N)n2)C1 ZINC001167270464 957611372 /nfs/dbraw/zinc/61/13/72/957611372.db2.gz XDGFZTVVSKYWPD-QMMMGPOBSA-N 2 0 226.711 1.433 20 0 BDADRP C[N@@H+]1CC[C@H](Nc2c[nH+]cc3cc[nH]c32)C1 ZINC001167278576 957623509 /nfs/dbraw/zinc/62/35/09/957623509.db2.gz NBEWNRLZMZFWCH-JTQLQIEISA-N 2 0 216.288 1.679 20 0 BDADRP [NH3+][C@@]12CC[C@@]([NH2+][C@@H]3CCC[NH2+]CC3)(C1)CCC2 ZINC001246333306 972294880 /nfs/dbraw/zinc/29/48/80/972294880.db2.gz LGUIFZIHDBSHQX-HZSPNIEDSA-N 3 0 237.391 1.522 20 0 BDADRP COc1ccc(N[C@@H]2CC[NH2+][C@H](C)C2)cc1C[NH3+] ZINC001246454460 972323154 /nfs/dbraw/zinc/32/31/54/972323154.db2.gz UIIYRFJHVCPVAY-ZWNOBZJWSA-N 2 0 249.358 1.706 20 0 BDADRP CCCCC[C@H](C)[NH2+]CCCNCCC[NH3+] ZINC001246453290 972325909 /nfs/dbraw/zinc/32/59/09/972325909.db2.gz NBXOJIVZKMUHTA-ZDUSSCGKSA-N 2 0 229.412 1.873 20 0 BDADRP CC[C@H]1C[C@@H](NC[C@@]2(C)CCC[NH2+]2)CC[NH2+]1 ZINC001246456728 972327955 /nfs/dbraw/zinc/32/79/55/972327955.db2.gz NXJFLWOXFBYHRZ-RWMBFGLXSA-N 2 0 225.380 1.249 20 0 BDADRP CCSC[C@@H](C)[N@H+](C)C[C@@H](C)C[NH3+] ZINC000706965236 958311666 /nfs/dbraw/zinc/31/16/66/958311666.db2.gz WAUPCRCCAXJSSK-VHSXEESVSA-N 2 0 204.383 1.655 20 0 BDADRP C[C@H]1CC([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)C[C@H](C)[NH2+]1 ZINC001246478720 972350534 /nfs/dbraw/zinc/35/05/34/972350534.db2.gz XULZOCALWJGMAN-ZPFDUUQYSA-N 3 0 243.370 1.053 20 0 BDADRP C[C@@H]1CC[C@@H](NC[C@@H]2CCCC[N@@H+]2C)C[NH2+]1 ZINC000399008864 958480735 /nfs/dbraw/zinc/48/07/35/958480735.db2.gz BJEIVOYMMXXVRX-UPJWGTAASA-N 2 0 225.380 1.201 20 0 BDADRP CC[NH+](CC)CCN[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000399032930 958489369 /nfs/dbraw/zinc/48/93/69/958489369.db2.gz MQTFQVMWRTXKJP-VXGBXAGGSA-N 2 0 213.369 1.058 20 0 BDADRP CCCCC[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222080880 972362688 /nfs/dbraw/zinc/36/26/88/972362688.db2.gz PKPLKSIGEDRMBK-UHFFFAOYSA-N 2 0 225.380 1.204 20 0 BDADRP CC(C)C[C@@H](C[NH3+])N[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246504737 972365608 /nfs/dbraw/zinc/36/56/08/972365608.db2.gz SFPFZBIENINREH-SRVKXCTJSA-N 2 0 213.369 1.090 20 0 BDADRP CC1(C)C[C@H]([NH+]2CCC(C)([NH3+])CC2)CCO1 ZINC000707686467 958674234 /nfs/dbraw/zinc/67/42/34/958674234.db2.gz LQMJNIQIEHECBG-LLVKDONJSA-N 2 0 226.364 1.757 20 0 BDADRP CC1(C)CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000382670361 958714234 /nfs/dbraw/zinc/71/42/34/958714234.db2.gz QNVAZDFJQUXMCQ-CYBMUJFWSA-N 2 0 240.391 1.565 20 0 BDADRP CCN(CC)[C@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000693543608 958743833 /nfs/dbraw/zinc/74/38/33/958743833.db2.gz KIDSQZCEZIMXKH-XQQFMLRXSA-N 2 0 225.380 1.140 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cscn1 ZINC000693560035 958802036 /nfs/dbraw/zinc/80/20/36/958802036.db2.gz RQUNYUPXFBDVLK-HLTSFMKQSA-N 2 0 211.334 1.531 20 0 BDADRP CN(CC[NH3+])[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246522439 972378886 /nfs/dbraw/zinc/37/88/86/972378886.db2.gz CTDVBFZAGFLHPK-GJZGRUSLSA-N 2 0 247.386 1.240 20 0 BDADRP C[C@H]1COCC[N@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207275066 958843481 /nfs/dbraw/zinc/84/34/81/958843481.db2.gz JHUZVKZNTKXZMA-GFCCVEGCSA-N 2 0 228.380 1.543 20 0 BDADRP COC[C@H]1CC[N@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207276067 958846219 /nfs/dbraw/zinc/84/62/19/958846219.db2.gz TXXFAGBZYPOGSF-LBPRGKRZSA-N 2 0 228.380 1.543 20 0 BDADRP CC[C@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCCO1 ZINC000693587032 958892114 /nfs/dbraw/zinc/89/21/14/958892114.db2.gz XJILQOMZKKPAEF-TUAOUCFPSA-N 2 0 212.337 1.225 20 0 BDADRP Cc1nc(CC[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cs1 ZINC000693592258 958904559 /nfs/dbraw/zinc/90/45/59/958904559.db2.gz PGMLHULDJFEXRW-AOOOYVTPSA-N 2 0 225.361 1.321 20 0 BDADRP Cc1cc(-n2cccc2C[NH3+])nc2c1C[NH2+]CC2 ZINC001167581388 958940956 /nfs/dbraw/zinc/94/09/56/958940956.db2.gz BJJDPEQALLVWHS-UHFFFAOYSA-N 2 0 242.326 1.285 20 0 BDADRP CC[C@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H](C)CO1 ZINC000693617863 959008408 /nfs/dbraw/zinc/00/84/08/959008408.db2.gz UMSPVSTWVOZOLF-WYUUTHIRSA-N 2 0 212.337 1.223 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)[C@H](CC)CO1 ZINC000404107023 959057956 /nfs/dbraw/zinc/05/79/56/959057956.db2.gz UOGSKHMQIPQOQP-XJFOESAGSA-N 2 0 240.391 1.731 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N2CC[C@](C)([NH3+])C2)CC[NH2+]1 ZINC001246526840 972399382 /nfs/dbraw/zinc/39/93/82/972399382.db2.gz BWCCVHUILZYPJU-AVGNSLFASA-N 2 0 225.380 1.186 20 0 BDADRP CC1(CN2CC[C@]23CCC[NH2+]C3)CC[NH2+]CC1 ZINC001222192281 972400481 /nfs/dbraw/zinc/40/04/81/972400481.db2.gz UTFSJGWXFRMCKQ-AWEZNQCLSA-N 2 0 237.391 1.204 20 0 BDADRP CCn1cc(C[N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)cn1 ZINC000693696208 959205380 /nfs/dbraw/zinc/20/53/80/959205380.db2.gz KGWPLXZDQXGRAA-KLPPZKSPSA-N 2 0 222.336 1.072 20 0 BDADRP CC(C)OCC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693703776 959208230 /nfs/dbraw/zinc/20/82/30/959208230.db2.gz JXPDCWKFXQQBSY-FRRDWIJNSA-N 2 0 240.391 1.778 20 0 BDADRP CC1(C)[C@H]([NH2+]CCCCCO)[C@@H]2CCC[NH2+][C@@H]21 ZINC000693710794 959219424 /nfs/dbraw/zinc/21/94/24/959219424.db2.gz XJLOKTDKRBSVBB-XQQFMLRXSA-N 2 0 240.391 1.515 20 0 BDADRP COc1cc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)sn1 ZINC000690757795 959224528 /nfs/dbraw/zinc/22/45/28/959224528.db2.gz WNKVABINDOWZRN-SECBINFHSA-N 2 0 241.360 1.322 20 0 BDADRP CC1(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)COC1 ZINC001222232905 972413062 /nfs/dbraw/zinc/41/30/62/972413062.db2.gz YOWSJWILTHHUTC-ZDUSSCGKSA-N 2 0 224.348 1.241 20 0 BDADRP C([C@H]1CCCC[NH2+]1)N1CCC[C@]12CCC[NH2+]C2 ZINC001222230875 972413662 /nfs/dbraw/zinc/41/36/62/972413662.db2.gz FWYCCRGYHLPSMK-KGLIPLIRSA-N 2 0 237.391 1.347 20 0 BDADRP CCOCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000161897869 959385281 /nfs/dbraw/zinc/38/52/81/959385281.db2.gz VKERNFKPGWFHEG-UHFFFAOYSA-N 2 0 226.364 1.487 20 0 BDADRP C[N@H+](C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)C1CC([NH3+])C1 ZINC000693820684 959396399 /nfs/dbraw/zinc/39/63/99/959396399.db2.gz JLDWQTHUALSBJR-QANAZDBMSA-N 2 0 230.302 1.699 20 0 BDADRP C[C@@H]1OC[C@@H]([NH2+]CCCC[NH+](C)C)[C@@H]1C ZINC000405566571 959457633 /nfs/dbraw/zinc/45/76/33/959457633.db2.gz FJBXFCBRXDYLKS-GRYCIOLGSA-N 2 0 214.353 1.341 20 0 BDADRP CC[C@@H]([NH3+])CN1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222264850 972431464 /nfs/dbraw/zinc/43/14/64/972431464.db2.gz IPJUUFVTDQLJCQ-OLZOCXBDSA-N 2 0 225.380 1.189 20 0 BDADRP CC[C@H]([NH3+])CN1CCC2(CCCC[NH2+]2)CC1 ZINC001222293612 972436854 /nfs/dbraw/zinc/43/68/54/972436854.db2.gz YUHKTQAVECNTFZ-LBPRGKRZSA-N 2 0 225.380 1.332 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222307871 972437839 /nfs/dbraw/zinc/43/78/39/972437839.db2.gz CUHAPJOQVRFBNL-CYBMUJFWSA-N 2 0 225.380 1.204 20 0 BDADRP C(CO[C@H]1CCC[NH2+]CC1)C[C@@H]1CCC[NH2+]C1 ZINC001217777391 959589682 /nfs/dbraw/zinc/58/96/82/959589682.db2.gz JRVLSTHIRWWVNN-KBPBESRZSA-N 2 0 240.391 1.925 20 0 BDADRP C[C@H]1CC[C@H](OCCCC2CC[NH2+]CC2)C[NH2+]1 ZINC001217911270 959745626 /nfs/dbraw/zinc/74/56/26/959745626.db2.gz KZJOVNFFLLZCCM-JSGCOSHPSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1OC[C@@H]1CCC[NH2+]C1 ZINC001217915939 959751341 /nfs/dbraw/zinc/75/13/41/959751341.db2.gz BEFHHCOTDVFTSF-UTUOFQBUSA-N 2 0 212.337 1.001 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000724826614 959797432 /nfs/dbraw/zinc/79/74/32/959797432.db2.gz YBDPNDGXXKDWEA-QWHCGFSZSA-N 2 0 224.348 1.097 20 0 BDADRP CO[C@@]1(C)C[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000694362792 959841333 /nfs/dbraw/zinc/84/13/33/959841333.db2.gz OXCQCPFZNUMUGD-NEPJUHHUSA-N 2 0 212.337 1.095 20 0 BDADRP COc1ncc(C[NH+]2CCC(C[NH3+])CC2)s1 ZINC000309329365 959849101 /nfs/dbraw/zinc/84/91/01/959849101.db2.gz IMVIKDAFPHNWES-UHFFFAOYSA-N 2 0 241.360 1.322 20 0 BDADRP COC(C)(C)CC[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000708857183 959927697 /nfs/dbraw/zinc/92/76/97/959927697.db2.gz KPPHAJRQIRDFMO-WDEREUQCSA-N 2 0 214.353 1.328 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+](CC3CC[NH2+]CC3)C2)C1 ZINC000310522202 960186553 /nfs/dbraw/zinc/18/65/53/960186553.db2.gz NVCUZOAAKJNWOG-CQSZACIVSA-N 3 0 237.391 1.014 20 0 BDADRP CC[NH+](CC)Cc1cncc(NCC[NH2+]C)c1 ZINC001167726095 960245638 /nfs/dbraw/zinc/24/56/38/960245638.db2.gz QUMFYRJKWRMSAX-UHFFFAOYSA-N 2 0 236.363 1.555 20 0 BDADRP CC(C)([NH3+])c1ccccc1-n1ccc(CC[NH3+])n1 ZINC001167731573 960271355 /nfs/dbraw/zinc/27/13/55/960271355.db2.gz KVMSMKXAPGREHT-UHFFFAOYSA-N 2 0 244.342 1.567 20 0 BDADRP O[C@@H](C[NH2+]CCC[NH+]1CCCCC1)C1CC1 ZINC000695530909 960281481 /nfs/dbraw/zinc/28/14/81/960281481.db2.gz RJCGCKVVQDZJQC-ZDUSSCGKSA-N 2 0 226.364 1.223 20 0 BDADRP C[C@H]1CCCN1CC[NH2+]C[C@H]1CCC=CO1 ZINC000309755592 960331357 /nfs/dbraw/zinc/33/13/57/960331357.db2.gz HNEANGUVUNAZOF-QWHCGFSZSA-N 2 0 224.348 1.753 20 0 BDADRP CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)[NH2+]C(C)C ZINC001267827507 960409693 /nfs/dbraw/zinc/40/96/93/960409693.db2.gz KIWWMDGJRBGHGG-VXGBXAGGSA-N 2 0 243.395 1.219 20 0 BDADRP C[C@@H]1C[C@@H]([N@H+]2C[C@@H]3[C@H](C2)C3(C)C)CC[NH2+]1 ZINC000709448249 960615236 /nfs/dbraw/zinc/61/52/36/960615236.db2.gz LCVDBZASSXOCLA-KXNHARMFSA-N 2 0 208.349 1.715 20 0 BDADRP C(CC1CCOCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709495101 960627461 /nfs/dbraw/zinc/62/74/61/960627461.db2.gz UFSKNEVFQQUQAI-PBWFPOADSA-N 2 0 238.375 1.676 20 0 BDADRP C[NH+]1CCC(OC2C[NH+](C(C)(C)C)C2)CC1 ZINC001222503768 960662518 /nfs/dbraw/zinc/66/25/18/960662518.db2.gz GANWRVFTKUQNAB-UHFFFAOYSA-N 2 0 226.364 1.580 20 0 BDADRP CC[N@H+](CCn1ccnc1)Cc1cnco1 ZINC001140933363 960709018 /nfs/dbraw/zinc/70/90/18/960709018.db2.gz UDYFZDQFACGISX-UHFFFAOYSA-N 2 0 220.276 1.393 20 0 BDADRP CC[NH+]1CCC([NH2+]CC2SCCS2)CC1 ZINC000692805922 960718917 /nfs/dbraw/zinc/71/89/17/960718917.db2.gz HYPMZIIHMLLKBN-UHFFFAOYSA-N 2 0 246.445 1.866 20 0 BDADRP C[NH+](C)C1CCC(OC2CC[NH+](C)CC2)CC1 ZINC001222503929 972530002 /nfs/dbraw/zinc/53/00/02/972530002.db2.gz KJLKMDYRMZFWII-UHFFFAOYSA-N 2 0 240.391 1.970 20 0 BDADRP [NH3+][C@@H]1C[C@H](N[C@H]2CC[NH2+]C23CCC3)C12CCC2 ZINC000925721715 960794446 /nfs/dbraw/zinc/79/44/46/960794446.db2.gz DPYUGDHMOAVFGM-WOPDTQHZSA-N 2 0 235.375 1.131 20 0 BDADRP CO[C@@H]1CC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000300041043 960805595 /nfs/dbraw/zinc/80/55/95/960805595.db2.gz KIHJXYUNJOWNDB-WTUNAVPPSA-N 2 0 238.375 1.628 20 0 BDADRP CC[NH+](CC)CCCN[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000399017240 961056109 /nfs/dbraw/zinc/05/61/09/961056109.db2.gz CTNAOCYZBVYJIN-CHWSQXEVSA-N 2 0 227.396 1.448 20 0 BDADRP [NH2+]=C(Nc1ccc2c(c1)OCO2)SCC[NH3+] ZINC001167914337 961176160 /nfs/dbraw/zinc/17/61/60/961176160.db2.gz KOQFDNYMSCMRFT-UHFFFAOYSA-N 2 0 239.300 1.454 20 0 BDADRP CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]C(C)C)[NH+](C)C ZINC001268092807 961206084 /nfs/dbraw/zinc/20/60/84/961206084.db2.gz FVNGSDORJJCCSF-NWDGAFQWSA-N 2 0 243.395 1.172 20 0 BDADRP [NH2+]=C(NCCCC[NH3+])Nc1cncc2cc[nH]c21 ZINC001167879533 961447941 /nfs/dbraw/zinc/44/79/41/961447941.db2.gz WXQBRLBWIFZNGF-UHFFFAOYSA-N 2 0 246.318 1.238 20 0 BDADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)CCCCC[NH3+] ZINC000841851622 961451489 /nfs/dbraw/zinc/45/14/89/961451489.db2.gz QXCGHBUAQQDODQ-NQBHXWOUSA-N 2 0 241.379 1.008 20 0 BDADRP CCC[NH+]1CCN(c2cc[nH+]cc2CO)CC1 ZINC000126412143 962726577 /nfs/dbraw/zinc/72/65/77/962726577.db2.gz ALVCVKVZACNFEU-UHFFFAOYSA-N 2 0 235.331 1.106 20 0 BDADRP Cc1cnc(N[C@H]2CCC[C@@H]([NH3+])C2)c(C[NH3+])c1 ZINC001154990107 962934920 /nfs/dbraw/zinc/93/49/20/962934920.db2.gz WGTFMQCERQKNJN-NEPJUHHUSA-N 2 0 234.347 1.531 20 0 BDADRP Cc1cc[nH+]c(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC001155514092 963094553 /nfs/dbraw/zinc/09/45/53/963094553.db2.gz BQHSCNOKAXZPJQ-JHJVBQTASA-N 2 0 247.342 1.426 20 0 BDADRP Cc1ccc(NC[C@]23C[NH2+]C[C@H]2COC3)[nH+]c1C ZINC001155517512 963094820 /nfs/dbraw/zinc/09/48/20/963094820.db2.gz WSLFTXHJDXVOLT-JSGCOSHPSA-N 2 0 247.342 1.346 20 0 BDADRP CN(C)c1cccc(N(C)C2CC[NH2+]CC2)[nH+]1 ZINC001156171918 963272478 /nfs/dbraw/zinc/27/24/78/963272478.db2.gz HYOMTTATTIDMCU-UHFFFAOYSA-N 2 0 234.347 1.336 20 0 BDADRP C[N@@H+]1CC[C@H](Nc2[nH+]ccc3[nH]ccc32)C1 ZINC001156576283 963394367 /nfs/dbraw/zinc/39/43/67/963394367.db2.gz TURDFDMGJSIVCG-VIFPVBQESA-N 2 0 216.288 1.679 20 0 BDADRP Cc1nc(-n2cccc2C[NH3+])cc(N(C)C)[nH+]1 ZINC001156724053 963444703 /nfs/dbraw/zinc/44/47/03/963444703.db2.gz USMYFNNWFSYHLH-UHFFFAOYSA-N 2 0 231.303 1.100 20 0 BDADRP Cc1ccc(NC(=[NH2+])NCCCC[NH3+])nc1C ZINC001157095994 963532638 /nfs/dbraw/zinc/53/26/38/963532638.db2.gz DVOUSBLMCCOZCJ-UHFFFAOYSA-N 2 0 235.335 1.374 20 0 BDADRP [NH3+][C@@H]1CCC[N@@H+]([C@H]2CCSC2)CC1 ZINC000725613767 963590280 /nfs/dbraw/zinc/59/02/80/963590280.db2.gz KCMZRXPOSZPQFR-ZJUUUORDSA-N 2 0 200.351 1.305 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCCCC[NH+](C)C)CCO1 ZINC001168072606 963602316 /nfs/dbraw/zinc/60/23/16/963602316.db2.gz UXETXYGTYMTFKD-QWHCGFSZSA-N 2 0 228.380 1.875 20 0 BDADRP CC(C)[N@H+](CCC[NH3+])[C@H]1CCO[C@@H](C)C1 ZINC001168073465 963605286 /nfs/dbraw/zinc/60/52/86/963605286.db2.gz CNZYRTWYKWKQBL-RYUDHWBXSA-N 2 0 214.353 1.613 20 0 BDADRP Nc1cc[nH+]c(-n2ccc3c2CC[NH2+]C3)c1 ZINC001157441930 963605571 /nfs/dbraw/zinc/60/55/71/963605571.db2.gz HZAFXJQVELUSGK-UHFFFAOYSA-N 2 0 214.272 1.100 20 0 BDADRP Nc1cc[nH+]c(N2CCCC[C@@]23CCC[NH2+]C3)c1 ZINC001157467110 963624248 /nfs/dbraw/zinc/62/42/48/963624248.db2.gz DAQBIWMCJVXEEI-AWEZNQCLSA-N 2 0 246.358 1.776 20 0 BDADRP CC[NH+](CC)CCNC(=O)C[C@@H]([NH3+])CC(C)C ZINC001357325584 963658470 /nfs/dbraw/zinc/65/84/70/963658470.db2.gz AADUIIFWKLPHCG-LBPRGKRZSA-N 2 0 243.395 1.208 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C(C)(C)C(C)(C)[NH3+])CCO1 ZINC001168092426 963687508 /nfs/dbraw/zinc/68/75/08/963687508.db2.gz QJAIWZDBTOXSAP-ZJUUUORDSA-N 2 0 214.353 1.659 20 0 BDADRP CCC1(Nc2cc(N3CCCC3)cc[nH+]2)C[NH2+]C1 ZINC001157784464 963725134 /nfs/dbraw/zinc/72/51/34/963725134.db2.gz CWZSWWGFDKZZMY-UHFFFAOYSA-N 2 0 246.358 1.846 20 0 BDADRP Cc1c[nH+]c(N2CC[C@](F)(C[NH3+])C2)cc1C ZINC001157816921 963736089 /nfs/dbraw/zinc/73/60/89/963736089.db2.gz PAVXKGYMGCMAAQ-LBPRGKRZSA-N 2 0 223.295 1.576 20 0 BDADRP COc1cc[nH+]c(N2CCC[C@](C)(C[NH3+])C2)c1 ZINC001158673883 963900414 /nfs/dbraw/zinc/90/04/14/963900414.db2.gz NMLXGQKLLDXJND-CYBMUJFWSA-N 2 0 235.331 1.655 20 0 BDADRP CN(C)c1cc[nH+]c(N2CCC[C@@](C)(C[NH3+])C2)c1 ZINC001158678365 963900524 /nfs/dbraw/zinc/90/05/24/963900524.db2.gz GSUPFIRORMIARY-AWEZNQCLSA-N 2 0 248.374 1.713 20 0 BDADRP CN(C)c1cc[nH+]c(-n2ccc(C[NH3+])c2)c1 ZINC001158763423 963917613 /nfs/dbraw/zinc/91/76/13/963917613.db2.gz DXPGHXVCOAHAFU-UHFFFAOYSA-N 2 0 216.288 1.397 20 0 BDADRP COc1ccc2c(c1)C[C@H]([NH2+]CCC[NH+](C)C)C2 ZINC001168225191 964005165 /nfs/dbraw/zinc/00/51/65/964005165.db2.gz VDSNGGOKVRQATP-CQSZACIVSA-N 2 0 248.370 1.704 20 0 BDADRP c1nc2c(cc1NC1=C[NH2+]CCC1)C[NH2+]CC2 ZINC001159139600 964008132 /nfs/dbraw/zinc/00/81/32/964008132.db2.gz FXNMIAQOHJDTQZ-UHFFFAOYSA-N 2 0 230.315 1.364 20 0 BDADRP C1=C(Nc2ccc3c(c2)C[NH2+]CC3)C[NH2+]C1 ZINC001159616365 964132063 /nfs/dbraw/zinc/13/20/63/964132063.db2.gz XWHIRHHCBGLPAT-UHFFFAOYSA-N 2 0 215.300 1.231 20 0 BDADRP c1cc2c(cc1NC1=C[NH2+]CCC1)C[NH2+]CC2 ZINC001159615199 964135515 /nfs/dbraw/zinc/13/55/15/964135515.db2.gz GRNQERWTPBRJJO-UHFFFAOYSA-N 2 0 229.327 1.969 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1cc2ccccc2cn1 ZINC001159778934 964191204 /nfs/dbraw/zinc/19/12/04/964191204.db2.gz BXYMOAPRMTUXSG-GFCCVEGCSA-N 2 0 230.315 1.670 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1nc(Cl)ccc1Cl ZINC001159785734 964203492 /nfs/dbraw/zinc/20/34/92/964203492.db2.gz SHBWSHHHKRFRHO-QMMMGPOBSA-N 2 0 249.145 1.824 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@H]2C[C@@H](F)C2)CC1 ZINC001168298480 964387045 /nfs/dbraw/zinc/38/70/45/964387045.db2.gz WOOIIFXLDRYYDL-CIWCUSHGSA-N 2 0 214.328 1.949 20 0 BDADRP CCC[N@H+](CCC[NH3+])C1CCC([NH+](C)C)CC1 ZINC001168295249 964389565 /nfs/dbraw/zinc/38/95/65/964389565.db2.gz YRUCHRDITARSAP-UHFFFAOYSA-N 3 0 241.423 1.920 20 0 BDADRP C[C@H]1C[NH+](C2CCC([NH+](C)C)CC2)C[C@H](C)O1 ZINC001168315721 964421861 /nfs/dbraw/zinc/42/18/61/964421861.db2.gz LXAHWJXVQKMEAT-FEPKRQSRSA-N 2 0 240.391 1.968 20 0 BDADRP C[NH+](C)C1CCC([NH+]2CC3(C2)CCCO3)CC1 ZINC001168315066 964427323 /nfs/dbraw/zinc/42/73/23/964427323.db2.gz QRMXEMMHMYTIAC-UHFFFAOYSA-N 2 0 238.375 1.724 20 0 BDADRP CC(C)[NH+]1CC(Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC001168314843 964427812 /nfs/dbraw/zinc/42/78/12/964427812.db2.gz BEYBRGHMDKNRSU-UHFFFAOYSA-N 2 0 231.343 1.794 20 0 BDADRP [NH3+]CCc1cn(-c2ncccn2)c2cc[nH+]cc12 ZINC001160944248 964455470 /nfs/dbraw/zinc/45/54/70/964455470.db2.gz AKLAEPCUNBHKKY-UHFFFAOYSA-N 2 0 239.282 1.317 20 0 BDADRP C[NH+](C)C1CCC([NH+]2CC3(CSC3)C2)CC1 ZINC001168329462 964459675 /nfs/dbraw/zinc/45/96/75/964459675.db2.gz VBZCTYASIJXYCL-UHFFFAOYSA-N 2 0 240.416 1.908 20 0 BDADRP COC[C@@H]1CC[N@@H+]1C1CCC([NH+](C)C)CC1 ZINC001168329957 964466352 /nfs/dbraw/zinc/46/63/52/964466352.db2.gz LMVYIXNKRPEOOT-BPCQOVAHSA-N 2 0 226.364 1.580 20 0 BDADRP C[C@H](CC[NH2+][C@@H]1CCCOC1)[NH+](C)C ZINC000697868663 964597122 /nfs/dbraw/zinc/59/71/22/964597122.db2.gz CKBDQJSXAUQJJZ-GHMZBOCLSA-N 2 0 200.326 1.095 20 0 BDADRP C[C@@H](CC[NH2+][C@@H](C)[C@H]1CCCO1)[NH+](C)C ZINC000697892050 964649616 /nfs/dbraw/zinc/64/96/16/964649616.db2.gz ZJQZVDWINFLJPI-SDDRHHMPSA-N 2 0 214.353 1.484 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]CC[C@@H](C)[NH+](C)C)CCO1 ZINC000697911254 964676261 /nfs/dbraw/zinc/67/62/61/964676261.db2.gz YQEDWPQXWZFPOU-JHJVBQTASA-N 2 0 228.380 1.874 20 0 BDADRP C[C@H](CC[NH2+][C@@H]1CCOC(C)(C)C1)[NH+](C)C ZINC000697908902 964677616 /nfs/dbraw/zinc/67/76/16/964677616.db2.gz NVHXFAXEQJHNIL-VXGBXAGGSA-N 2 0 228.380 1.874 20 0 BDADRP C[NH+](C)CCNc1ccccc1CC[NH3+] ZINC001161671070 964677877 /nfs/dbraw/zinc/67/78/77/964677877.db2.gz IBOGUIQHXFBRCV-UHFFFAOYSA-N 2 0 207.321 1.161 20 0 BDADRP C[NH+](C)CCCCNc1[nH+]ccc2c1CCN2 ZINC001161724784 964714910 /nfs/dbraw/zinc/71/49/10/964714910.db2.gz PDAWZWBKVRONDE-UHFFFAOYSA-N 2 0 234.347 1.803 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC2CSC2)CC[N@@H+]1C ZINC000697967394 964805118 /nfs/dbraw/zinc/80/51/18/964805118.db2.gz HQNHGOYFLRKGKX-GXSJLCMTSA-N 2 0 214.378 1.422 20 0 BDADRP [NH3+][C@@H]1CN(Cc2ccc3c(c2)C[NH2+]C3)CC12CC2 ZINC001204911624 964838931 /nfs/dbraw/zinc/83/89/31/964838931.db2.gz KCECRLASRSNMNN-CQSZACIVSA-N 2 0 243.354 1.213 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1NC1CC[NH+](CC2CC2)CC1 ZINC001168370718 964925151 /nfs/dbraw/zinc/92/51/51/964925151.db2.gz FJQFCFICVIORIT-UONOGXRCSA-N 2 0 237.391 1.330 20 0 BDADRP C[C@@]1([NH3+])C[C@H](Nc2cc3[nH]ccc3c[nH+]2)C1 ZINC001162325475 964930739 /nfs/dbraw/zinc/93/07/39/964930739.db2.gz ZUKRWLOZSOCATP-WVSHTKLVSA-N 2 0 216.288 1.855 20 0 BDADRP CCOc1cc[nH+]c(N[C@H]2C[C@@](C)([NH3+])C2)c1 ZINC001162328673 964933443 /nfs/dbraw/zinc/93/34/43/964933443.db2.gz VSIGMNHFKYDLOA-WVSHTKLVSA-N 2 0 221.304 1.772 20 0 BDADRP Cc1c[nH+]c(N[C@H]2C[C@@](C)([NH3+])C2)c(C)c1 ZINC001162328705 964934232 /nfs/dbraw/zinc/93/42/32/964934232.db2.gz WYFSVTSVDPPDDL-KLPPZKSPSA-N 2 0 205.305 1.990 20 0 BDADRP Cc1ccc(N[C@@H]2CCC[C@@H]([NH3+])C2)[nH+]c1N ZINC001162395114 964956068 /nfs/dbraw/zinc/95/60/68/964956068.db2.gz SNCUIJFOSAEDFA-NXEZZACHSA-N 2 0 220.320 1.654 20 0 BDADRP Nc1ccc(N[C@H]2CCC[C@H]([NH3+])C2)cn1 ZINC001162402238 964960623 /nfs/dbraw/zinc/96/06/23/964960623.db2.gz PLPNOJYLDSSTDA-IUCAKERBSA-N 2 0 206.293 1.346 20 0 BDADRP [NH3+]CCc1ccccc1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001162402441 964962718 /nfs/dbraw/zinc/96/27/18/964962718.db2.gz RRVADSDZSWCQCV-CHWSQXEVSA-N 2 0 233.359 1.870 20 0 BDADRP C[C@H]1CC[N@@H+]1C1CC[NH+](CC2CC2)CC1 ZINC001168373374 964976337 /nfs/dbraw/zinc/97/63/37/964976337.db2.gz PVHOPRRMQPQBOU-NSHDSACASA-N 2 0 208.349 1.955 20 0 BDADRP C[C@@H]1CC[N@@H+]1C1CC[NH+](CC2CC2)CC1 ZINC001168373373 964976608 /nfs/dbraw/zinc/97/66/08/964976608.db2.gz PVHOPRRMQPQBOU-LLVKDONJSA-N 2 0 208.349 1.955 20 0 BDADRP C[NH+](C)C1CCC(OC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001224817367 964987943 /nfs/dbraw/zinc/98/79/43/964987943.db2.gz NVYMLWIZTHQRLX-MOKVOYLWSA-N 2 0 240.391 1.970 20 0 BDADRP CC[N@@H+]1CC[C@H](OCCC[NH+]2CCCCC2)C1 ZINC001224856115 965030537 /nfs/dbraw/zinc/03/05/37/965030537.db2.gz XEBAQHBOKAMKLY-AWEZNQCLSA-N 2 0 240.391 1.973 20 0 BDADRP C/C=C(\NC=[NH2+])NC[C@]1(F)CCCC[NH2+]C1 ZINC001162579119 965051269 /nfs/dbraw/zinc/05/12/69/965051269.db2.gz FTHVCVGGVNDTMN-HKTIAHBFSA-N 2 0 228.315 1.116 20 0 BDADRP C[C@H]1[NH2+]CC[C@H]1Nc1cnccc1/C=C/[NH+](C)C ZINC001162680313 965119182 /nfs/dbraw/zinc/11/91/82/965119182.db2.gz IXMRYMAFDOVCKB-JPUNHXPESA-N 2 0 246.358 1.776 20 0 BDADRP CC(C)(F)CC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000698240172 965124976 /nfs/dbraw/zinc/12/49/76/965124976.db2.gz YXNQKMAUTSGNFN-VHSXEESVSA-N 2 0 214.328 1.984 20 0 BDADRP c1cc2c(cc[nH+]c2N[C@H]2C=C[C@H]3C[NH2+]C[C@H]32)[nH]1 ZINC001162790636 965176731 /nfs/dbraw/zinc/17/67/31/965176731.db2.gz VBNDPFNZVYSGIW-NDMJEZRESA-N 2 0 240.310 1.749 20 0 BDADRP CN(C)c1cccc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)[nH+]1 ZINC001162791069 965178166 /nfs/dbraw/zinc/17/81/66/965178166.db2.gz YVGXQOQLLRQGFQ-QJPTWQEYSA-N 2 0 244.342 1.334 20 0 BDADRP F[C@H]1C[NH2+]CC[C@H]1CNc1ccc2c([nH+]1)CCC2 ZINC001162802074 965185835 /nfs/dbraw/zinc/18/58/35/965185835.db2.gz KZFFSFNCQXIMQQ-RYUDHWBXSA-N 2 0 249.333 1.930 20 0 BDADRP Cc1cnc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)c(C[NH3+])c1 ZINC001162799354 965187883 /nfs/dbraw/zinc/18/78/83/965187883.db2.gz YGTOFUYTCHPPDR-CYZMBNFOSA-N 2 0 244.342 1.035 20 0 BDADRP Nc1cc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)[nH+]cc1F ZINC001163261597 965321007 /nfs/dbraw/zinc/32/10/07/965321007.db2.gz FLOSBJSLFLOFAS-FYBVGQRMSA-N 2 0 236.294 1.213 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](CCSC(F)(F)F)C1 ZINC000690735778 965343371 /nfs/dbraw/zinc/34/33/71/965343371.db2.gz HRDFIRAGQXCIHI-QMMMGPOBSA-N 2 0 242.310 1.910 20 0 BDADRP C[C@H]([NH2+][C@@H](C)C1CCOCC1)C1CC[NH2+]CC1 ZINC000400344186 965452336 /nfs/dbraw/zinc/45/23/36/965452336.db2.gz HQTVRPSDNVVIBG-RYUDHWBXSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@]1(C(F)F)C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000698767767 965498023 /nfs/dbraw/zinc/49/80/23/965498023.db2.gz UZHZSUNEBMUERX-NGZCFLSTSA-N 2 0 234.290 1.080 20 0 BDADRP C[NH2+]CCN(C)c1[nH+]c(C)cc2[nH]ccc21 ZINC001163721194 965537115 /nfs/dbraw/zinc/53/71/15/965537115.db2.gz UPPNLEXCWFDIQG-UHFFFAOYSA-N 2 0 218.304 1.527 20 0 BDADRP C[C@H](C[NH+](C)C)Nc1cccc2c1CC[C@@H]2[NH3+] ZINC001163782547 965585849 /nfs/dbraw/zinc/58/58/49/965585849.db2.gz KWNRYGSYOOFPAS-MFKMUULPSA-N 2 0 233.359 1.995 20 0 BDADRP C[C@@H](C[NH+](C)C)Nc1ccccc1CC[NH3+] ZINC001163782743 965585905 /nfs/dbraw/zinc/58/59/05/965585905.db2.gz PSJPGDVHXBAOBH-NSHDSACASA-N 2 0 221.348 1.550 20 0 BDADRP C[NH+](C)C1CN(c2cc3[nH]ccc3c[nH+]2)C1 ZINC001163933541 965644346 /nfs/dbraw/zinc/64/43/46/965644346.db2.gz IEQRHVLIIYJTIV-UHFFFAOYSA-N 2 0 216.288 1.313 20 0 BDADRP CC(C)[NH2+]CCCNC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000151817572 965650821 /nfs/dbraw/zinc/65/08/21/965650821.db2.gz KYHLEUKNUVTRDQ-NEPJUHHUSA-N 2 0 241.379 1.008 20 0 BDADRP [NH3+][C@H]1CCC[N@H+](Cc2cccc3nonc32)CC1 ZINC001205093556 965717689 /nfs/dbraw/zinc/71/76/89/965717689.db2.gz BNBASHPILPIYLP-NSHDSACASA-N 2 0 246.314 1.536 20 0 BDADRP [NH3+][C@H]1CCC[N@H+](C[C@@H]2CCC=CO2)CC1 ZINC001205094789 965728151 /nfs/dbraw/zinc/72/81/51/965728151.db2.gz PMNOEZXTJFWUDS-RYUDHWBXSA-N 2 0 210.321 1.492 20 0 BDADRP Cc1c[nH+]c(N2C[C@H](C)CC[C@H]2C[NH3+])cc1N ZINC001164073546 965732577 /nfs/dbraw/zinc/73/25/77/965732577.db2.gz MCNAJOZALGBSPL-KOLCDFICSA-N 2 0 234.347 1.536 20 0 BDADRP CN1CC(C[NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC000715176403 965771497 /nfs/dbraw/zinc/77/14/97/965771497.db2.gz CVTDRRVXLQLUKP-UHFFFAOYSA-N 2 0 225.380 1.010 20 0 BDADRP C[C@H](Cc1cccc(F)c1)[NH2+]CCOCC[NH3+] ZINC001168458871 965774873 /nfs/dbraw/zinc/77/48/73/965774873.db2.gz JMDUEWPDIHELPU-LLVKDONJSA-N 2 0 240.322 1.322 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC001168465167 965805095 /nfs/dbraw/zinc/80/50/95/965805095.db2.gz PKSWMNCVIMNELF-QWRGUYRKSA-N 2 0 224.323 1.941 20 0 BDADRP C[C@@]1(C[NH3+])CCCN(c2cc(N)cc[nH+]2)CC1 ZINC001164242645 965810186 /nfs/dbraw/zinc/81/01/86/965810186.db2.gz NMPWZZFDOXZYMT-CYBMUJFWSA-N 2 0 234.347 1.619 20 0 BDADRP COCC[N@H+](CCF)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699280628 965830220 /nfs/dbraw/zinc/83/02/20/965830220.db2.gz BNPQARRDEGOPKO-YHWZYXNKSA-N 2 0 244.354 1.435 20 0 BDADRP [NH3+]CCONc1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC001164428822 965880146 /nfs/dbraw/zinc/88/01/46/965880146.db2.gz IZXCSYAABSFYNA-LBPRGKRZSA-N 2 0 221.304 1.413 20 0 BDADRP C[C@H]1CC[C@H](C[NH3+])CN1c1cccc(N)[nH+]1 ZINC001164460901 965893195 /nfs/dbraw/zinc/89/31/95/965893195.db2.gz FZVSWUDKRTYJHR-VHSXEESVSA-N 2 0 220.320 1.227 20 0 BDADRP [NH3+][C@H]1CCC[N@H+](Cc2ccc3n2CCC3)CC1 ZINC001205124525 965896066 /nfs/dbraw/zinc/89/60/66/965896066.db2.gz UDVNCKZZQRFKLC-LBPRGKRZSA-N 2 0 233.359 1.748 20 0 BDADRP C[NH+](C)Cc1ccnc(N2CCC([NH3+])CC2)c1 ZINC001165064533 965952987 /nfs/dbraw/zinc/95/29/87/965952987.db2.gz OYSRDWYNQCHLGA-UHFFFAOYSA-N 2 0 234.347 1.071 20 0 BDADRP Cc1cc(C)[nH+]c(N2C[C@H]3C[NH+](C)C[C@@H]3C2)c1 ZINC001165144192 965971370 /nfs/dbraw/zinc/97/13/70/965971370.db2.gz HHUIDUGODMEDLO-CHWSQXEVSA-N 2 0 231.343 1.696 20 0 BDADRP CC(C)[N@@H+]1CCN(c2cc(N)cc[nH+]2)C[C@H]1C ZINC001165199191 965979206 /nfs/dbraw/zinc/97/92/06/965979206.db2.gz XDOXCIZFMLLUEI-LLVKDONJSA-N 2 0 234.347 1.583 20 0 BDADRP C(CN1CCC[C@@]12CC[NH2+]C2)[C@@H]1CCCC[NH2+]1 ZINC001235112249 966006473 /nfs/dbraw/zinc/00/64/73/966006473.db2.gz ZHDDMBSLNOAJCL-KBPBESRZSA-N 2 0 237.391 1.347 20 0 BDADRP Cn1ccc2c1cc[nH+]c2N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001165296381 966032386 /nfs/dbraw/zinc/03/23/86/966032386.db2.gz GTUSEWSJNHVCDJ-WCQYABFASA-N 2 0 242.326 1.514 20 0 BDADRP [NH3+][C@@]12CCC[C@@H]1CN(CC[C@@H]1CCCC[NH2+]1)C2 ZINC001235238831 966033340 /nfs/dbraw/zinc/03/33/40/966033340.db2.gz ABCAXCBHOAAGNM-HZSPNIEDSA-N 2 0 237.391 1.332 20 0 BDADRP Cc1cc2[nH]ccc2c(N2C[C@@H]3C[C@]3([NH3+])C2)[nH+]1 ZINC001165314318 966046735 /nfs/dbraw/zinc/04/67/35/966046735.db2.gz MEQKIALIGZCSIH-ZANVPECISA-N 2 0 228.299 1.409 20 0 BDADRP c1cc2c[nH+]c(N3CCC[C@@H]4[NH2+]C[C@@H]43)cc2[nH]1 ZINC001165388181 966082306 /nfs/dbraw/zinc/08/23/06/966082306.db2.gz VQYXIXRTFFLVBL-JQWIXIFHSA-N 2 0 228.299 1.504 20 0 BDADRP CC[C@H]1CN(C[C@@H]([NH3+])c2ccccc2)CC[NH2+]1 ZINC001235725222 966101074 /nfs/dbraw/zinc/10/10/74/966101074.db2.gz SKMBGEUIEOQQAR-UONOGXRCSA-N 2 0 233.359 1.370 20 0 BDADRP Cc1cc(CN(CC[NH3+])CC[NH3+])c(C)s1 ZINC001235877642 966124731 /nfs/dbraw/zinc/12/47/31/966124731.db2.gz SBUCEPTYDLCCEJ-UHFFFAOYSA-N 2 0 227.377 1.084 20 0 BDADRP Cc1ccc(Cl)cc1CN(CC[NH3+])CC[NH3+] ZINC001235880402 966126960 /nfs/dbraw/zinc/12/69/60/966126960.db2.gz LDLZPEAPMUNDLK-UHFFFAOYSA-N 2 0 241.766 1.368 20 0 BDADRP OC[C@H]1CCCCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000253172187 966218307 /nfs/dbraw/zinc/21/83/07/966218307.db2.gz JRCSPFCDEYIWIL-QWHCGFSZSA-N 2 0 226.364 1.223 20 0 BDADRP C[NH+]1CCC(C[NH2+]CCC[C@@H]2CCOC2)CC1 ZINC000400539353 966278196 /nfs/dbraw/zinc/27/81/96/966278196.db2.gz KCBFUXZOGZARSU-CQSZACIVSA-N 2 0 240.391 1.735 20 0 BDADRP CCN(CC[NH2+]C)Cc1cccc(C[NH3+])c1 ZINC001236145076 966280786 /nfs/dbraw/zinc/28/07/86/966280786.db2.gz CMNSPMDYGOBAPQ-UHFFFAOYSA-N 2 0 221.348 1.187 20 0 BDADRP CN(Cc1ccc(C[NH3+])cc1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236216647 966313728 /nfs/dbraw/zinc/31/37/28/966313728.db2.gz LEEMBQQYGJUQEM-CABCVRRESA-N 2 0 247.386 1.847 20 0 BDADRP C[C@@H]1CN(C[C@H]([NH3+])Cc2ccccc2)C[C@@H](C)[NH2+]1 ZINC001236575064 966455661 /nfs/dbraw/zinc/45/56/61/966455661.db2.gz AFZWULNTDAMEBT-UMVBOHGHSA-N 2 0 247.386 1.239 20 0 BDADRP C1=C2NCC[N@@H+](CC3CC[NH2+]CC3)[C@H]2CCC1 ZINC001237220380 966648699 /nfs/dbraw/zinc/64/86/99/966648699.db2.gz QVSBHGCALOGUQR-AWEZNQCLSA-N 2 0 235.375 1.328 20 0 BDADRP C[NH+](C)Cc1cccc(C2=CCC[NH2+]CC2)n1 ZINC001238941349 966797869 /nfs/dbraw/zinc/79/78/69/966797869.db2.gz WSPFITNKYXGNTM-UHFFFAOYSA-N 2 0 231.343 1.910 20 0 BDADRP c1nc2c(cc1C1=CCC[NH2+]CC1)C[NH2+]CC2 ZINC001238945164 966800047 /nfs/dbraw/zinc/80/00/47/966800047.db2.gz OPXUSUGQSUCWMO-UHFFFAOYSA-N 2 0 229.327 1.494 20 0 BDADRP CC[N@H+]1C[C@H]2CN(Cc3ccc[nH]3)C[C@H]2C1 ZINC001204011163 966851852 /nfs/dbraw/zinc/85/18/52/966851852.db2.gz VZWGVMAKYPJDRU-TXEJJXNPSA-N 2 0 219.332 1.398 20 0 BDADRP CCN1CC[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC000715490435 966919410 /nfs/dbraw/zinc/91/94/10/966919410.db2.gz JXMQVYBZWVZUSE-ROKHWSDSSA-N 2 0 239.407 1.543 20 0 BDADRP CCC1(Nc2cccc(C[NH3+])c2)C[NH2+]C1 ZINC001168583663 966933258 /nfs/dbraw/zinc/93/32/58/966933258.db2.gz PXMFEDRXPPFLTO-UHFFFAOYSA-N 2 0 205.305 1.309 20 0 BDADRP Cc1[nH+]cn(C)c1Nc1cnc(N)c(C)c1 ZINC001249786011 967039102 /nfs/dbraw/zinc/03/91/02/967039102.db2.gz JNWDZLGFFIXONN-UHFFFAOYSA-N 2 0 217.276 1.758 20 0 BDADRP Cc1nc[nH]c1C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001204593094 967089189 /nfs/dbraw/zinc/08/91/89/967089189.db2.gz SLOAXWNTXNVYAU-UHFFFAOYSA-N 2 0 234.347 1.246 20 0 BDADRP COC1CCC(C[N@@H+]2CC[C@@](C)([NH3+])C2)CC1 ZINC001204763935 967150687 /nfs/dbraw/zinc/15/06/87/967150687.db2.gz TZLQMNSZHOLLPE-WXRRBKDZSA-N 2 0 226.364 1.615 20 0 BDADRP C[NH+](C)CC1(CN2CC[C@@](C)([NH3+])C2)CCCC1 ZINC001204763394 967150722 /nfs/dbraw/zinc/15/07/22/967150722.db2.gz IPOVZJKMYIPWBF-CYBMUJFWSA-N 2 0 239.407 1.532 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@H]2CCCC[C@@H]2O)CC1 ZINC000715578737 967188054 /nfs/dbraw/zinc/18/80/54/967188054.db2.gz GOVOETLLASZWFT-HOAMVYINSA-N 2 0 240.391 1.752 20 0 BDADRP Cc1cc([C@H]2CCC[N@@H+]2CCCC[NH3+])no1 ZINC001204847461 967194042 /nfs/dbraw/zinc/19/40/42/967194042.db2.gz BHKFEHRZBNWNST-GFCCVEGCSA-N 2 0 223.320 1.859 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCC(=O)[C@H]2CCCC[C@@H]21 ZINC001204847548 967196766 /nfs/dbraw/zinc/19/67/66/967196766.db2.gz CGGYHVKUNCJOGB-RYUDHWBXSA-N 2 0 224.348 1.559 20 0 BDADRP C[C@]1([NH3+])CCCN(Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC001204947518 967249986 /nfs/dbraw/zinc/24/99/86/967249986.db2.gz ZWQAARBDUKCXKM-HNNXBMFYSA-N 2 0 245.370 1.603 20 0 BDADRP C[N@H+](CC1CC(O)C1)CC1CC[NH+](C)CC1 ZINC000691351997 967261006 /nfs/dbraw/zinc/26/10/06/967261006.db2.gz UPGKZPIZICYECT-UHFFFAOYSA-N 2 0 226.364 1.031 20 0 BDADRP C[C@H]1C[N@H+](CC2CC[NH+](C)CC2)CC[C@@H]1O ZINC000691350802 967263277 /nfs/dbraw/zinc/26/32/77/967263277.db2.gz QTKXDFXUDDVWTL-AAEUAGOBSA-N 2 0 226.364 1.031 20 0 BDADRP COCc1cccc(C[NH+]2CCC(C[NH3+])CC2)n1 ZINC001205046752 967304595 /nfs/dbraw/zinc/30/45/95/967304595.db2.gz LXJMZTYLNPVLQN-UHFFFAOYSA-N 2 0 249.358 1.399 20 0 BDADRP Cc1nc(C[NH+]2CCC(C[NH3+])CC2)ccc1F ZINC001205053061 967308111 /nfs/dbraw/zinc/30/81/11/967308111.db2.gz IKUWHJIOURHXFY-UHFFFAOYSA-N 2 0 237.322 1.700 20 0 BDADRP C[C@H]1CC[C@@H](C[NH3+])N1Cc1ccc(C[NH3+])cc1 ZINC001205069055 967328994 /nfs/dbraw/zinc/32/89/94/967328994.db2.gz STLCFUFIWPKLPE-FZMZJTMJSA-N 2 0 233.359 1.457 20 0 BDADRP [NH3+][C@H]1CCC[N@H+](Cc2cnn3ccccc23)CC1 ZINC001205117762 967364513 /nfs/dbraw/zinc/36/45/13/967364513.db2.gz UMCPSBKYMYRSQE-ZDUSSCGKSA-N 2 0 244.342 1.648 20 0 BDADRP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(CCO)cc2)CC1 ZINC001205116670 967367539 /nfs/dbraw/zinc/36/75/39/967367539.db2.gz GDGJJXYQFJKDTR-OAHLLOKOSA-N 2 0 248.370 1.535 20 0 BDADRP CCc1n[nH]cc1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205124239 967368721 /nfs/dbraw/zinc/36/87/21/967368721.db2.gz MDCJGLBLPCZXIS-NSHDSACASA-N 2 0 222.336 1.285 20 0 BDADRP COc1ccoc1CN1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205151173 967394596 /nfs/dbraw/zinc/39/45/96/967394596.db2.gz QXLFBGWRHSUOEE-VHSXEESVSA-N 2 0 224.304 1.315 20 0 BDADRP C[C@H]1C[C@@H](CO)C[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000691359756 967401600 /nfs/dbraw/zinc/40/16/00/967401600.db2.gz NMPXFWMZAYUTAM-GXTWGEPZSA-N 2 0 240.391 1.279 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCN1Cc1cccc2n[nH]cc21 ZINC001205189538 967418605 /nfs/dbraw/zinc/41/86/05/967418605.db2.gz AUURIJPIPRUEEI-BXKDBHETSA-N 2 0 230.315 1.484 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCN1Cc1c[nH]c2cnccc12 ZINC001205191117 967419163 /nfs/dbraw/zinc/41/91/63/967419163.db2.gz XANFZDNAZVLUSW-BXKDBHETSA-N 2 0 230.315 1.484 20 0 BDADRP C[C@]1([NH3+])CCCN(CC[C@H]2CCCC[NH2+]2)CC1 ZINC001205255850 967448189 /nfs/dbraw/zinc/44/81/89/967448189.db2.gz LYMTXHNSWFFUCW-KGLIPLIRSA-N 2 0 239.407 1.722 20 0 BDADRP Cc1n[nH]cc1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205264797 967457484 /nfs/dbraw/zinc/45/74/84/967457484.db2.gz MSAMNOWGETWARE-GFCCVEGCSA-N 2 0 222.336 1.421 20 0 BDADRP C[C@]1([NH3+])CCC[N@H+](Cc2cccc(C[NH3+])c2)CC1 ZINC001205288945 967483477 /nfs/dbraw/zinc/48/34/77/967483477.db2.gz QLQKCLCRTGWPOE-HNNXBMFYSA-N 3 0 247.386 1.849 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000693880240 967590575 /nfs/dbraw/zinc/59/05/75/967590575.db2.gz WABPEDCATMTWRP-XQQFMLRXSA-N 2 0 239.407 1.589 20 0 BDADRP [NH3+]C[C@@]1(F)CCCN(C[C@@H]2CCCC[NH2+]2)CC1 ZINC001205537984 967669267 /nfs/dbraw/zinc/66/92/67/967669267.db2.gz LCSDWAGWRRBDSQ-QWHCGFSZSA-N 2 0 243.370 1.281 20 0 BDADRP C(C[NH2+]C1CC1)C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000690314833 967693490 /nfs/dbraw/zinc/69/34/90/967693490.db2.gz PRKZNQLMXKCTAF-VXGBXAGGSA-N 2 0 224.348 1.097 20 0 BDADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cncnc2)CC1 ZINC001205558809 967696150 /nfs/dbraw/zinc/69/61/50/967696150.db2.gz IXGRKVNVUORGSX-GFCCVEGCSA-N 2 0 238.310 1.130 20 0 BDADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cnco2)CC1 ZINC001205570080 967700267 /nfs/dbraw/zinc/70/02/67/967700267.db2.gz FCTXCYFOGXWXOY-LLVKDONJSA-N 2 0 227.283 1.328 20 0 BDADRP C[C@H]1CC[N@H+](CCCC[NH3+])CC[C@@H]1C[NH3+] ZINC001205603630 967717867 /nfs/dbraw/zinc/71/78/67/967717867.db2.gz RIKVDRRUICXEPC-NWDGAFQWSA-N 3 0 213.369 1.032 20 0 BDADRP Cc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)[nH]n1 ZINC001205603032 967718015 /nfs/dbraw/zinc/71/80/15/967718015.db2.gz NAUANJDNHJGTHH-PWSUYJOCSA-N 2 0 236.363 1.525 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2ccnn2C)CC[C@H]1C[NH3+] ZINC001205603008 967720233 /nfs/dbraw/zinc/72/02/33/967720233.db2.gz MQXAESKZCAYQIW-NEPJUHHUSA-N 2 0 236.363 1.227 20 0 BDADRP Cc1nccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)n1 ZINC001205618403 967728270 /nfs/dbraw/zinc/72/82/70/967728270.db2.gz VTDZUAHQULKGDM-DGCLKSJQSA-N 2 0 248.374 1.592 20 0 BDADRP C[C@H]1CC[N@H+](Cc2cccc(=O)[nH]2)CC[C@@H]1C[NH3+] ZINC001205618912 967730671 /nfs/dbraw/zinc/73/06/71/967730671.db2.gz ZCTMFQGKGYHWKX-NWDGAFQWSA-N 2 0 249.358 1.594 20 0 BDADRP [NH3+]C[C@]1(O)CCCC[N@H+](CCc2ccccc2)C1 ZINC001205663379 967747291 /nfs/dbraw/zinc/74/72/91/967747291.db2.gz IVBRDQDTPNHBSS-OAHLLOKOSA-N 2 0 248.370 1.405 20 0 BDADRP CC[N@H+](CCC[NH+]1CCCC1)C[C@H](C)OC ZINC001205692063 967782320 /nfs/dbraw/zinc/78/23/20/967782320.db2.gz BETUCQLXDUWILX-ZDUSSCGKSA-N 2 0 228.380 1.829 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH3+])N(CC[C@H]2CCCC[NH2+]2)C1 ZINC001205803634 967829432 /nfs/dbraw/zinc/82/94/32/967829432.db2.gz IHYPQANCVFZDID-MCIONIFRSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@H]1CC[C@H](C[NH3+])N(CC(C)(C)C[NH+](C)C)C1 ZINC001205805682 967829896 /nfs/dbraw/zinc/82/98/96/967829896.db2.gz RJHDDPLTFCCMOD-QWHCGFSZSA-N 2 0 241.423 1.633 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2cccc3cncn32)CC1 ZINC001205057963 967858837 /nfs/dbraw/zinc/85/88/37/967858837.db2.gz BGLAWJKHTNSZMA-UHFFFAOYSA-N 2 0 244.342 1.505 20 0 BDADRP Cc1cc(C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c(C)c1 ZINC001205946875 967897535 /nfs/dbraw/zinc/89/75/35/967897535.db2.gz RWZALJLTNPJUCQ-HUUCEWRRSA-N 2 0 248.370 1.506 20 0 BDADRP C[C@H]1C[N@H+](CC2CC[NH+](C)CC2)C[C@]1(C)CO ZINC000694672249 967912053 /nfs/dbraw/zinc/91/20/53/967912053.db2.gz JJOADEWAMZUFSJ-GXTWGEPZSA-N 2 0 240.391 1.279 20 0 BDADRP [NH3+][C@@H]1CC[N@H+](Cc2cccc3ccoc32)C[C@H]1O ZINC001205973444 967924448 /nfs/dbraw/zinc/92/44/48/967924448.db2.gz SXDVBLKNFTXWDZ-CHWSQXEVSA-N 2 0 246.310 1.327 20 0 BDADRP C[C@H]1C[N@H+](Cc2cn[nH]c2)CCC[C@H]1C[NH3+] ZINC001205981822 967924834 /nfs/dbraw/zinc/92/48/34/967924834.db2.gz HPPWMDDSTCGRHO-JQWIXIFHSA-N 2 0 222.336 1.217 20 0 BDADRP COC(=O)CCC[N@@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205985322 967932129 /nfs/dbraw/zinc/93/21/29/967932129.db2.gz XIQFNOSJPFAXCK-NWDGAFQWSA-N 2 0 242.363 1.246 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ncccc2[O-])CCC[C@H]1C[NH3+] ZINC001205992593 967941174 /nfs/dbraw/zinc/94/11/74/967941174.db2.gz FPFBQOLPXOQBMA-NEPJUHHUSA-N 2 0 249.358 1.594 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccncn2)CCC[C@@H]1C[NH3+] ZINC001206003899 967957352 /nfs/dbraw/zinc/95/73/52/967957352.db2.gz NKHFSXQWGAPMEU-NWDGAFQWSA-N 2 0 234.347 1.283 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccns2)CCC[C@H]1C[NH3+] ZINC001206012390 967968722 /nfs/dbraw/zinc/96/87/22/967968722.db2.gz LAIISDODMSMKPU-QWRGUYRKSA-N 2 0 239.388 1.950 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CCOC(C)(C)C2)C[C@H]1[NH3+] ZINC001206049030 968012539 /nfs/dbraw/zinc/01/25/39/968012539.db2.gz HDHYCHIFPJDJRZ-GRYCIOLGSA-N 2 0 226.364 1.471 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCOC(C)(C)C2)C[C@H]1[NH3+] ZINC001206049031 968016340 /nfs/dbraw/zinc/01/63/40/968016340.db2.gz HDHYCHIFPJDJRZ-IJLUTSLNSA-N 2 0 226.364 1.471 20 0 BDADRP C[C@H](C[NH+](C)C)Nc1ccc(C2([NH3+])CC2)cc1 ZINC001163777010 968120368 /nfs/dbraw/zinc/12/03/68/968120368.db2.gz QWERJKKGEHPTEH-LLVKDONJSA-N 2 0 233.359 1.996 20 0 BDADRP Cc1c[nH+]c(N2CCC[C@](C)(C[NH3+])CC2)c(N)c1 ZINC001164249523 968196916 /nfs/dbraw/zinc/19/69/16/968196916.db2.gz XSLVOTBBZORRBM-AWEZNQCLSA-N 2 0 248.374 1.928 20 0 BDADRP CCOC(=O)C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206294041 968203798 /nfs/dbraw/zinc/20/37/98/968203798.db2.gz ITNCWMXZNCFAQE-LBPRGKRZSA-N 2 0 228.336 1.000 20 0 BDADRP [NH3+][C@@H]1CCN(c2cc[nH+]c(N3CCCCC3)c2)C1 ZINC001164281694 968212560 /nfs/dbraw/zinc/21/25/60/968212560.db2.gz KQXDVZFUXTYOQP-GFCCVEGCSA-N 2 0 246.358 1.609 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2ccon2)CC1 ZINC001206305379 968215990 /nfs/dbraw/zinc/21/59/90/968215990.db2.gz YBWFUPCMXRTTCP-GFCCVEGCSA-N 2 0 223.320 1.626 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2nccnc2N)CC1 ZINC001206311268 968216708 /nfs/dbraw/zinc/21/67/08/968216708.db2.gz LNQCLACRDVRBNO-CYBMUJFWSA-N 2 0 249.362 1.010 20 0 BDADRP [NH3+]C[C@]1(F)CCCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC001206337911 968244330 /nfs/dbraw/zinc/24/43/30/968244330.db2.gz WUNNTGWEKHYBAW-CHWSQXEVSA-N 2 0 243.370 1.139 20 0 BDADRP C[C@@H]1CN(CC2CC3(C2)CC[NH2+]CC3)CC[NH2+]1 ZINC001206379627 968266826 /nfs/dbraw/zinc/26/68/26/968266826.db2.gz JHIHIJYZPZWPFP-GFCCVEGCSA-N 2 0 237.391 1.060 20 0 BDADRP C[C@H](C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1)c1ccccc1 ZINC001206511819 968344185 /nfs/dbraw/zinc/34/41/85/968344185.db2.gz CKTICMCSWGAUAK-XBFCOCLRSA-N 2 0 234.343 1.042 20 0 BDADRP CC[C@@H](O)C[NH2+][C@H]1CC[C@@H]([NH+](C)C)CC1 ZINC001251817449 968352906 /nfs/dbraw/zinc/35/29/06/968352906.db2.gz KQKMHIFOHNRPFM-GRYCIOLGSA-N 2 0 214.353 1.220 20 0 BDADRP COC(C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1)OC ZINC001206541298 968365189 /nfs/dbraw/zinc/36/51/89/968365189.db2.gz GIOQWMLAIKYTQH-LBPRGKRZSA-N 2 0 230.352 1.056 20 0 BDADRP C[C@@]1(C[NH3+])CCCC[N@H+](C[C@@H]2CCOC2)C1 ZINC001206542185 968365431 /nfs/dbraw/zinc/36/54/31/968365431.db2.gz UNKLUCSFJRONIV-STQMWFEESA-N 2 0 226.364 1.474 20 0 BDADRP C[C@]1(C[NH3+])CCCC[N@H+](C[C@@H]2CCOC2)C1 ZINC001206542184 968368948 /nfs/dbraw/zinc/36/89/48/968368948.db2.gz UNKLUCSFJRONIV-QWHCGFSZSA-N 2 0 226.364 1.474 20 0 BDADRP Cn1cccc1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206606551 968402327 /nfs/dbraw/zinc/40/23/27/968402327.db2.gz PEGGRFXAQDIHQR-GFCCVEGCSA-N 2 0 221.348 1.586 20 0 BDADRP [NH3+]C[C@H]1CCCCN(C[C@@H]([NH3+])c2ccccc2)C1 ZINC001206606124 968415335 /nfs/dbraw/zinc/41/53/35/968415335.db2.gz DXNNMLBBUIAZNM-UKRRQHHQSA-N 2 0 247.386 1.747 20 0 BDADRP [NH3+]C[C@@H]1CCCCN(Cc2cccnc2F)C1 ZINC001206616928 968418742 /nfs/dbraw/zinc/41/87/42/968418742.db2.gz ULCHMPGFAQSWMW-NSHDSACASA-N 2 0 237.322 1.782 20 0 BDADRP [NH3+]C[C@@H]1CCCC[N@H+](Cc2cc[nH]c2)C1 ZINC001206624313 968423376 /nfs/dbraw/zinc/42/33/76/968423376.db2.gz UDVYWSOORLZIMJ-NSHDSACASA-N 2 0 207.321 1.576 20 0 BDADRP [NH3+]C[C@H]1CCCC[N@H+](Cc2cc[nH]c2)C1 ZINC001206624312 968424521 /nfs/dbraw/zinc/42/45/21/968424521.db2.gz UDVYWSOORLZIMJ-LLVKDONJSA-N 2 0 207.321 1.576 20 0 BDADRP C[C@H]([NH3+])CN1C[C@@H](C[NH3+])Cc2cc(F)ccc21 ZINC001119606746 968432232 /nfs/dbraw/zinc/43/22/32/968432232.db2.gz SBWSWAYOFPHRLL-VHSXEESVSA-N 2 0 237.322 1.110 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH3+])CN1CC[C@@H]1CCCC[NH2+]1 ZINC001206760343 968456793 /nfs/dbraw/zinc/45/67/93/968456793.db2.gz DSGYBSHFFGWNPW-RDBSUJKOSA-N 3 0 239.407 1.578 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+](Cc1ccc[nH]c1=O)CC2 ZINC001207008165 968542837 /nfs/dbraw/zinc/54/28/37/968542837.db2.gz HEDFBIWDYJFLJO-UHFFFAOYSA-N 2 0 247.342 1.315 20 0 BDADRP CCCC[C@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001252108791 968592790 /nfs/dbraw/zinc/59/27/90/968592790.db2.gz SLJMNSJFUZEIHP-CRWXNKLISA-N 2 0 240.391 1.752 20 0 BDADRP c1cc(C2CC[NH2+]CC2)nc(C2=CCC[NH2+]C2)n1 ZINC001240652038 968622952 /nfs/dbraw/zinc/62/29/52/968622952.db2.gz QTAFDWBRWAPJIM-UHFFFAOYSA-N 2 0 244.342 1.320 20 0 BDADRP CC(C)(O)C[NH2+]CCc1c[nH]c2cc[nH+]cc12 ZINC001252368657 968649274 /nfs/dbraw/zinc/64/92/74/968649274.db2.gz LMIDQWITCZKZTE-UHFFFAOYSA-N 2 0 233.315 1.466 20 0 BDADRP Cc1nccc(C[NH+]2CCC3(C[NH+](C)C3)CC2)n1 ZINC001207168388 968675304 /nfs/dbraw/zinc/67/53/04/968675304.db2.gz IFSPNOMFEYKHLL-UHFFFAOYSA-N 2 0 246.358 1.313 20 0 BDADRP C[C@@H]1[C@H](CO)CC[N@@H+]1CC(C)(C)C[NH+](C)C ZINC001207274472 968705375 /nfs/dbraw/zinc/70/53/75/968705375.db2.gz CTYMSIKKCCIFMI-NEPJUHHUSA-N 2 0 228.380 1.277 20 0 BDADRP C[NH+](C)CC(C)(C)C[N@@H+]1CCCC[C@](C)(O)C1 ZINC001207275407 968708050 /nfs/dbraw/zinc/70/80/50/968708050.db2.gz NDZHDCJRTDEBBE-AWEZNQCLSA-N 2 0 242.407 1.811 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCC[C@]23CCOC3)CC1 ZINC001207398635 968741390 /nfs/dbraw/zinc/74/13/90/968741390.db2.gz FCZQHSLLGCDVRI-CQSZACIVSA-N 2 0 238.375 1.583 20 0 BDADRP C[C@@H]1CC[N@H+](CC2CC[NH+](C)CC2)CC[C@@H]1O ZINC001207391663 968744851 /nfs/dbraw/zinc/74/48/51/968744851.db2.gz KSJUXIYTDPPDQY-OCCSQVGLSA-N 2 0 240.391 1.421 20 0 BDADRP F[C@@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@@H]2C[C@@H]21 ZINC001207436261 968768484 /nfs/dbraw/zinc/76/84/84/968768484.db2.gz ZCEAMLPJWVZVHI-SDDRHHMPSA-N 2 0 212.312 1.276 20 0 BDADRP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CC[C@@]1(C)O ZINC001207436506 968770414 /nfs/dbraw/zinc/77/04/14/968770414.db2.gz KULRJBCZPLIRCD-DGCLKSJQSA-N 2 0 226.364 1.079 20 0 BDADRP c1cnc2c(c1)CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001207440674 968775091 /nfs/dbraw/zinc/77/50/91/968775091.db2.gz BSPWHXMIMWQGPT-UHFFFAOYSA-N 2 0 231.343 1.439 20 0 BDADRP C[NH+]1CCC(CC[N@@H+]2CC[C@@H](F)[C@H](O)C2)CC1 ZINC001207479759 968793725 /nfs/dbraw/zinc/79/37/25/968793725.db2.gz MYQMOLUBOXYVPR-CHWSQXEVSA-N 2 0 244.354 1.123 20 0 BDADRP C[NH+]1CCC(CC[NH+]2CC(C3COC3)C2)CC1 ZINC001207479373 968795095 /nfs/dbraw/zinc/79/50/95/968795095.db2.gz GXRZCMZHTWVJLF-UHFFFAOYSA-N 2 0 238.375 1.297 20 0 BDADRP CC[N@H+](CCC1CC[NH+](C)CC1)CC(C)(C)O ZINC001207486975 968796339 /nfs/dbraw/zinc/79/63/39/968796339.db2.gz PLAFPXSTXHZZBP-UHFFFAOYSA-N 2 0 242.407 1.811 20 0 BDADRP CO[C@H]1CCC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000829274888 968825260 /nfs/dbraw/zinc/82/52/60/968825260.db2.gz IFVZBKLZUZTLMK-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP Cc1c[nH+]c(N[C@H]2CCC[C@@H]([NH3+])C2)c(N)c1 ZINC001154987787 968839868 /nfs/dbraw/zinc/83/98/68/968839868.db2.gz OBMSYSNKOIHWIT-ZJUUUORDSA-N 2 0 220.320 1.654 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]C[C@@H]3C[C@H]4C[C@H]4C3)[C@@H]2C1 ZINC001207836542 968895634 /nfs/dbraw/zinc/89/56/34/968895634.db2.gz IYUFUFQXYOKIMD-UJOWSUJOSA-N 2 0 234.387 1.962 20 0 BDADRP CCC[N@H+]1C[C@@H]2C[NH+](C[C@@H]3CCCO3)C[C@@H]2C1 ZINC001207894599 968920041 /nfs/dbraw/zinc/92/00/41/968920041.db2.gz QWVCVSOXJLVYMQ-MJBXVCDLSA-N 2 0 238.375 1.439 20 0 BDADRP CCC[C@@H](O)C[NH2+][C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001252805335 968991105 /nfs/dbraw/zinc/99/11/05/968991105.db2.gz HHHITCBEJSEIOD-JHJVBQTASA-N 2 0 228.380 1.610 20 0 BDADRP CCC[C@@H](O)C[NH2+][C@H]1CC[C@@H]([NH+](C)C)CC1 ZINC001252807335 968994933 /nfs/dbraw/zinc/99/49/33/968994933.db2.gz HHHITCBEJSEIOD-FRRDWIJNSA-N 2 0 228.380 1.610 20 0 BDADRP C[N@H+](CC1(C)COC1)CC1(C)CC[NH+](C)CC1 ZINC001208114058 969009715 /nfs/dbraw/zinc/00/97/15/969009715.db2.gz QODUIRCOFFEYSO-UHFFFAOYSA-N 2 0 240.391 1.687 20 0 BDADRP C[N@@H+]1CCC=C(c2ccc3c(n2)C[NH2+]CC3)C1 ZINC001241567187 969059303 /nfs/dbraw/zinc/05/93/03/969059303.db2.gz PLUCAZTWNVJFHF-UHFFFAOYSA-N 2 0 229.327 1.446 20 0 BDADRP CC[NH+](CC)C[C@H](O)CNC(=[NH2+])C(C)(C)C ZINC001253203737 969107689 /nfs/dbraw/zinc/10/76/89/969107689.db2.gz XDUUSUVKRDVNKN-SNVBAGLBSA-N 2 0 229.368 1.302 20 0 BDADRP CO[C@@H]1CC[N@H+](CC2(C[NH+](C)C)CCCC2)C1 ZINC001208185043 969117385 /nfs/dbraw/zinc/11/73/85/969117385.db2.gz URXRYFQATQIZPT-CYBMUJFWSA-N 2 0 240.391 1.829 20 0 BDADRP CC[NH+](CC)C[C@H](O)C[NH2+]C1[C@H](C)CC[C@H]1C ZINC001253216352 969117875 /nfs/dbraw/zinc/11/78/75/969117875.db2.gz MBOSKXVZGBRBGX-JHJVBQTASA-N 2 0 242.407 1.713 20 0 BDADRP C[N@H+]1C[C@H]2CN(CCc3cccc(F)c3)C[C@H]2C1 ZINC001208199535 969125150 /nfs/dbraw/zinc/12/51/50/969125150.db2.gz RXAZITVZPYFTJL-OKILXGFUSA-N 2 0 248.345 1.862 20 0 BDADRP C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253384098 969146714 /nfs/dbraw/zinc/14/67/14/969146714.db2.gz PATJJRWAFVTTBS-FRRDWIJNSA-N 2 0 242.407 1.904 20 0 BDADRP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253384096 969147145 /nfs/dbraw/zinc/14/71/45/969147145.db2.gz PATJJRWAFVTTBS-AGIUHOORSA-N 2 0 242.407 1.904 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CC[C@@H](C(C)=O)C2)CC1 ZINC001208603188 969149079 /nfs/dbraw/zinc/14/90/79/969149079.db2.gz VWRUDRBREQRMQG-CQSZACIVSA-N 2 0 238.375 1.629 20 0 BDADRP CC[NH+]1CCC(C[N@H+](C)Cc2cnccn2)CC1 ZINC001208597049 969151284 /nfs/dbraw/zinc/15/12/84/969151284.db2.gz BFDBXCOIFPYFMO-UHFFFAOYSA-N 2 0 248.374 1.640 20 0 BDADRP C[C@H]1C[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2(CC2)C1 ZINC001253396331 969153246 /nfs/dbraw/zinc/15/32/46/969153246.db2.gz WVOXIXIBUKIOND-VXGBXAGGSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@H]1C[N@H+](C[C@H]2CCC[NH+](C)C2)CCCO1 ZINC001208605094 969155025 /nfs/dbraw/zinc/15/50/25/969155025.db2.gz YMZJTZUPPOWDEU-STQMWFEESA-N 2 0 226.364 1.439 20 0 BDADRP C[C@@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)C(C)(C)C ZINC001253403235 969156674 /nfs/dbraw/zinc/15/66/74/969156674.db2.gz AFVXKKNUJALZKF-MNOVXSKESA-N 2 0 230.396 1.760 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH+]2CC[C@@]3(CCOC3)C2)C1 ZINC001208605191 969158084 /nfs/dbraw/zinc/15/80/84/969158084.db2.gz ALVOHTUVMOTEEL-UONOGXRCSA-N 2 0 238.375 1.441 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H](O)C2)C1 ZINC001208607657 969160978 /nfs/dbraw/zinc/16/09/78/969160978.db2.gz MLWXGMJSNYTBFU-STQMWFEESA-N 2 0 226.364 1.175 20 0 BDADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@@H]1CCCC1(C)C ZINC001253406698 969162000 /nfs/dbraw/zinc/16/20/00/969162000.db2.gz ALUJBEAQIJPEOC-NWDGAFQWSA-N 2 0 242.407 1.904 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH+]2C[C@H]3[C@H](CC3(F)F)C2)C1 ZINC001208606880 969162730 /nfs/dbraw/zinc/16/27/30/969162730.db2.gz IQRKVJYDEYYRSM-UTUOFQBUSA-N 2 0 244.329 1.915 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C[C@H]1CCC[NH+](C)C1 ZINC001208606737 969162851 /nfs/dbraw/zinc/16/28/51/969162851.db2.gz GTYYZVCLFZZMCL-MJBXVCDLSA-N 2 0 239.407 1.353 20 0 BDADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C1CC2(CCC2)C1 ZINC001253410320 969164085 /nfs/dbraw/zinc/16/40/85/969164085.db2.gz GFXZYCACCRNFCY-LBPRGKRZSA-N 2 0 240.391 1.658 20 0 BDADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@@H]1C[C@H]1C1CC1 ZINC001253412429 969167342 /nfs/dbraw/zinc/16/73/42/969167342.db2.gz HYFCWKXFEPNMMH-SDDRHHMPSA-N 2 0 226.364 1.124 20 0 BDADRP CO[C@H](C)C1C[NH+](C[C@H]2CCC[N@H+](C)C2)C1 ZINC001208616562 969169664 /nfs/dbraw/zinc/16/96/64/969169664.db2.gz KFVSRPZORIOAKR-NEPJUHHUSA-N 2 0 226.364 1.295 20 0 BDADRP C[N@@H+]1CCC[C@H](CN2CC([NH+]3CCCC3)C2)C1 ZINC001208609718 969173640 /nfs/dbraw/zinc/17/36/40/969173640.db2.gz WRPUBDFIYNSJSG-ZDUSSCGKSA-N 2 0 237.391 1.108 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cncnc2)CCC[C@@H]1C[NH3+] ZINC001205992022 969213586 /nfs/dbraw/zinc/21/35/86/969213586.db2.gz CXCUNVWQXSTTRW-DGCLKSJQSA-N 2 0 234.347 1.283 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cnccn2)CCC[C@H]1C[NH3+] ZINC001205993131 969222674 /nfs/dbraw/zinc/22/26/74/969222674.db2.gz GZJFMIGMNZLAAU-NEPJUHHUSA-N 2 0 234.347 1.283 20 0 BDADRP [NH3+]CCN(c1cccnc1)c1cccc(C[NH3+])n1 ZINC001168837029 969230427 /nfs/dbraw/zinc/23/04/27/969230427.db2.gz DFTSGYSTUYULBW-UHFFFAOYSA-N 2 0 243.314 1.032 20 0 BDADRP CCN(CC[NH+]1CCCCC1)C[C@H](C)[NH3+] ZINC000723461231 969266881 /nfs/dbraw/zinc/26/68/81/969266881.db2.gz NTPZQNQDBJRQEP-LBPRGKRZSA-N 2 0 213.369 1.141 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CCC=CO3)C[C@@H]2C1 ZINC001208880766 969273212 /nfs/dbraw/zinc/27/32/12/969273212.db2.gz UHAPKOORLRXNHK-HZSPNIEDSA-N 2 0 236.359 1.563 20 0 BDADRP Cc1cnc(C[NH3+])n1-c1cn2cc[nH+]c2cc1C ZINC001169028355 969350367 /nfs/dbraw/zinc/35/03/67/969350367.db2.gz CDKQXOFXRZDENW-UHFFFAOYSA-N 2 0 241.298 1.596 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCCCCO)C2 ZINC001169096001 969385550 /nfs/dbraw/zinc/38/55/50/969385550.db2.gz UDXAXWDPUDQJFH-BTTYYORXSA-N 2 0 240.391 1.754 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCn1cccn1)C2 ZINC001169096492 969390637 /nfs/dbraw/zinc/39/06/37/969390637.db2.gz XMVIMCMPEKPLIS-XYYAHUGASA-N 2 0 234.347 1.098 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](CO)C(C)(C)C)C2 ZINC001169098419 969390732 /nfs/dbraw/zinc/39/07/32/969390732.db2.gz HVFRSQGGUOSWAT-RNJOBUHISA-N 2 0 240.391 1.608 20 0 BDADRP CC(C)[C@@H](O)C[NH2+]CCC[NH+]1CCC(C)CC1 ZINC001253777934 969399311 /nfs/dbraw/zinc/39/93/11/969399311.db2.gz XJAQGKXYIRSSQG-AWEZNQCLSA-N 2 0 242.407 1.715 20 0 BDADRP CC(C)[C@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169079182 969399788 /nfs/dbraw/zinc/39/97/88/969399788.db2.gz JIPSHRNSPQVNPT-RVMXOQNASA-N 2 0 226.364 1.218 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CC[C@@H](O)C1)C2 ZINC001169082312 969401610 /nfs/dbraw/zinc/40/16/10/969401610.db2.gz YOZYXSMGICOMPV-JZRPKSSGSA-N 2 0 224.348 1.115 20 0 BDADRP COCC[N@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001209211726 969403053 /nfs/dbraw/zinc/40/30/53/969403053.db2.gz XMECJIPJCVNYTA-UHFFFAOYSA-N 2 0 228.380 1.685 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CC=CC1)C2 ZINC001169090685 969409671 /nfs/dbraw/zinc/40/96/71/969409671.db2.gz KRTYYAJHJVSOEZ-XYYAHUGASA-N 2 0 206.333 1.920 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@]1(C)CCOC1)C2 ZINC001169118279 969413955 /nfs/dbraw/zinc/41/39/55/969413955.db2.gz GOSPBEKEPWVOTD-XJFOESAGSA-N 2 0 238.375 1.628 20 0 BDADRP COC1CC(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169122889 969418536 /nfs/dbraw/zinc/41/85/36/969418536.db2.gz FUZMYDKCPGOVGM-VDLCUWCOSA-N 2 0 238.375 1.626 20 0 BDADRP COC1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169125950 969423248 /nfs/dbraw/zinc/42/32/48/969423248.db2.gz ODPCYUPUPNBOLM-ITGUQSILSA-N 2 0 238.375 1.722 20 0 BDADRP COC[C@@H]1CCC[N@@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169126419 969432841 /nfs/dbraw/zinc/43/28/41/969432841.db2.gz SVOXVWLFCBSXJE-RFQIPJPRSA-N 2 0 238.375 1.722 20 0 BDADRP CC[N@H+](CCOC)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169127092 969434183 /nfs/dbraw/zinc/43/41/83/969434183.db2.gz ZQMPWCGYWUCJIZ-ITGUQSILSA-N 2 0 226.364 1.580 20 0 BDADRP COC(=O)C[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169109046 969449235 /nfs/dbraw/zinc/44/92/35/969449235.db2.gz HBRKLHSCNUHNKV-WISYIIOYSA-N 2 0 240.347 1.153 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC([NH+]3CCCC3)C1)C2 ZINC001169141030 969455946 /nfs/dbraw/zinc/45/59/46/969455946.db2.gz OCTWARQGARGUEN-BTTYYORXSA-N 2 0 249.402 1.392 20 0 BDADRP CC[N@H+](CC(C)(C)O)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169147485 969460928 /nfs/dbraw/zinc/46/09/28/969460928.db2.gz UGGAVJMQVQOCBG-CLLJXQQHSA-N 2 0 240.391 1.704 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1C[C@@H]3C[C@H]1CO3)C2 ZINC001169143094 969463702 /nfs/dbraw/zinc/46/37/02/969463702.db2.gz XMNYLNKANZBLTO-QWQWKMKNSA-N 2 0 222.332 1.085 20 0 BDADRP COC[C@H]1CC[N@@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169160099 969480413 /nfs/dbraw/zinc/48/04/13/969480413.db2.gz AUWLOQOHCSDFAB-XQHKEYJVSA-N 2 0 224.348 1.332 20 0 BDADRP C[C@H]([NH3+])c1ccn(-c2cccc(C[NH3+])c2)n1 ZINC001169231975 969507261 /nfs/dbraw/zinc/50/72/61/969507261.db2.gz XVFBELIXJCGBEQ-VIFPVBQESA-N 2 0 216.288 1.351 20 0 BDADRP CC[NH+]1CCC(N2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001169266649 969523960 /nfs/dbraw/zinc/52/39/60/969523960.db2.gz ZSRQIYUCIPICPS-UHFFFAOYSA-N 2 0 239.407 1.497 20 0 BDADRP CC(C)[NH+]1CCN(Cc2c[nH+]ccc2N)CC1 ZINC001209727806 969582291 /nfs/dbraw/zinc/58/22/91/969582291.db2.gz NMXNIVZBJVRWTL-UHFFFAOYSA-N 2 0 234.347 1.020 20 0 BDADRP Nc1cc[nH+]cc1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC001209729764 969584813 /nfs/dbraw/zinc/58/48/13/969584813.db2.gz AXENDKJFWACWJC-ZDUSSCGKSA-N 2 0 246.358 1.164 20 0 BDADRP CC(C)[N@H+](C)[C@H]1CCN(Cc2c[nH+]ccc2N)C1 ZINC001209733437 969591653 /nfs/dbraw/zinc/59/16/53/969591653.db2.gz XFFFLWPDSIOYNS-ZDUSSCGKSA-N 2 0 248.374 1.409 20 0 BDADRP C[N@@H+]1CC[C@@]2(CCN(Cc3c[nH+]ccc3N)C2)C1 ZINC001209737410 969598540 /nfs/dbraw/zinc/59/85/40/969598540.db2.gz NJNZRNWOEHGQKN-CQSZACIVSA-N 2 0 246.358 1.022 20 0 BDADRP C[C@H]([NH3+])c1nccn1[C@H]1CCC[N@H+](C)CC1 ZINC001254498392 969662032 /nfs/dbraw/zinc/66/20/32/969662032.db2.gz YKUDECFVGPDMFU-QWRGUYRKSA-N 2 0 222.336 1.560 20 0 BDADRP C[N@@H+]1CCC[C@@H](n2cccc2C[NH3+])CC1 ZINC001254501528 969665925 /nfs/dbraw/zinc/66/59/25/969665925.db2.gz UTVWBQBGGSRZIU-LLVKDONJSA-N 2 0 207.321 1.604 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+]CC2(F)CCOCC2)CC1 ZINC001254503367 969667422 /nfs/dbraw/zinc/66/74/22/969667422.db2.gz MTJFOBYNSGPGLM-LBPRGKRZSA-N 2 0 244.354 1.579 20 0 BDADRP C[N@@H+]1CCC[C@H](n2cccc2C[NH3+])CC1 ZINC001254501534 969669870 /nfs/dbraw/zinc/66/98/70/969669870.db2.gz UTVWBQBGGSRZIU-NSHDSACASA-N 2 0 207.321 1.604 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+]CCOc2cccnc2)CC1 ZINC001254502602 969669972 /nfs/dbraw/zinc/66/99/72/969669972.db2.gz GYZKGRZGSCQRKZ-ZDUSSCGKSA-N 2 0 249.358 1.534 20 0 BDADRP CCCC[C@@H](CO)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001254505063 969674579 /nfs/dbraw/zinc/67/45/79/969674579.db2.gz YRLGNSHBFQEMPL-OLZOCXBDSA-N 2 0 228.380 1.611 20 0 BDADRP C[N@@H+]1CCC[C@@H](n2cccc2CC[NH3+])CC1 ZINC001254509089 969678355 /nfs/dbraw/zinc/67/83/55/969678355.db2.gz VWXUAXFBLYEPLP-CYBMUJFWSA-N 2 0 221.348 1.646 20 0 BDADRP CN1CCC[C@](C)([NH2+][C@H]2CCC[N@H+](C)CC2)C1 ZINC001254512772 969682131 /nfs/dbraw/zinc/68/21/31/969682131.db2.gz RMAKGTIULXNLCM-KBPBESRZSA-N 2 0 239.407 1.545 20 0 BDADRP CCC[N@H+](CCOC)[C@@H]1CCC[NH+](C)CC1 ZINC001254515872 969688201 /nfs/dbraw/zinc/68/82/01/969688201.db2.gz FROCZQLANUHISV-CYBMUJFWSA-N 2 0 228.380 1.829 20 0 BDADRP C[N@@H+]1CCC[C@H](N2CC[NH+](C3CC3)CC2)CC1 ZINC001254517273 969696088 /nfs/dbraw/zinc/69/60/88/969696088.db2.gz SUGUAXSWGXILPA-ZDUSSCGKSA-N 2 0 237.391 1.251 20 0 BDADRP CC[N@@H+]1CCCN([C@H]2CCC[NH+](C)CC2)CC1 ZINC001254517868 969701891 /nfs/dbraw/zinc/70/18/91/969701891.db2.gz ZHQOIXGWRFVYEZ-AWEZNQCLSA-N 2 0 239.407 1.498 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH+]2CC[C@@]3(CCOC3)C2)CC1 ZINC001254518520 969703272 /nfs/dbraw/zinc/70/32/72/969703272.db2.gz BVDXJATUMKLJJR-UONOGXRCSA-N 2 0 238.375 1.583 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH+]2CCC[C@@H](CCO)C2)CC1 ZINC001254524277 969708867 /nfs/dbraw/zinc/70/88/67/969708867.db2.gz AGABBFWKWYZNQF-UONOGXRCSA-N 2 0 240.391 1.565 20 0 BDADRP Cc1nc2c(n1[C@@H]1CCC[N@@H+](C)CC1)C[NH2+]CC2 ZINC001254528806 969723317 /nfs/dbraw/zinc/72/33/17/969723317.db2.gz IBZKABZNAXEWGY-GFCCVEGCSA-N 2 0 248.374 1.494 20 0 BDADRP CC(C)N(CC[NH3+])[C@H]1CC2CC[NH+](CC2)C1 ZINC001254835292 969799662 /nfs/dbraw/zinc/79/96/62/969799662.db2.gz FXFTXUNUMPKWRI-ZDUSSCGKSA-N 2 0 225.380 1.140 20 0 BDADRP CCCN(CCC[NH3+])[C@H]1CC2CC[NH+](CC2)C1 ZINC001254837448 969800149 /nfs/dbraw/zinc/80/01/49/969800149.db2.gz UXCDUCOCSAKEBJ-AWEZNQCLSA-N 2 0 239.407 1.532 20 0 BDADRP [NH3+][C@H]1CCC[C@H](N[C@@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254845530 969802925 /nfs/dbraw/zinc/80/29/25/969802925.db2.gz OIMILGLZHUHYOW-MELADBBJSA-N 2 0 237.391 1.330 20 0 BDADRP CC(C)([NH3+])C(C)(C)[NH2+][C@@H]1CC2CCN(CC2)C1 ZINC001254842148 969803829 /nfs/dbraw/zinc/80/38/29/969803829.db2.gz CSIDXKQJFWRRIS-GFCCVEGCSA-N 2 0 239.407 1.576 20 0 BDADRP CCN(CC[NH+](C)C)[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254852217 969806659 /nfs/dbraw/zinc/80/66/59/969806659.db2.gz FINBJFGSVXBOOE-CQSZACIVSA-N 2 0 239.407 1.354 20 0 BDADRP C[C@H]([NH3+])c1ccc(-n2ccc(C[NH3+])c2)cc1 ZINC001169726341 969819015 /nfs/dbraw/zinc/81/90/15/969819015.db2.gz SVDYLBMEYKCGJZ-JTQLQIEISA-N 2 0 215.300 1.956 20 0 BDADRP C/C=C(\NC=[NH2+])n1cc(CC[NH3+])c2ncccc21 ZINC001169703257 969827363 /nfs/dbraw/zinc/82/73/63/969827363.db2.gz UQCHXTLVGZFUKT-SWGQDTFXSA-N 2 0 243.314 1.552 20 0 BDADRP CC(C)([NH3+])C(C)(C)[NH2+]C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001254936343 969828539 /nfs/dbraw/zinc/82/85/39/969828539.db2.gz UHISKUXDQRKTNT-UWVGGRQHSA-N 2 0 238.375 1.850 20 0 BDADRP Cc1cc(-n2ccc(C[NH3+])c2)nc(C)n1 ZINC001169716045 969829984 /nfs/dbraw/zinc/82/99/84/969829984.db2.gz BDZNTJSJZAKOHH-UHFFFAOYSA-N 2 0 202.261 1.343 20 0 BDADRP CC(C)OCCC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000690361245 969838821 /nfs/dbraw/zinc/83/88/21/969838821.db2.gz VERNJDGGTZHJEJ-QWHCGFSZSA-N 2 0 226.364 1.343 20 0 BDADRP C[C@@H](C[NH3+])C[N@H+](C)C1Cc2ccccc2C1 ZINC001255014713 969846321 /nfs/dbraw/zinc/84/63/21/969846321.db2.gz HUTASIHDAIEFTB-NSHDSACASA-N 2 0 218.344 1.680 20 0 BDADRP CCc1cc(NCC23CC[NH+](CC2)CC3)cc[nH+]1 ZINC001169799405 969850216 /nfs/dbraw/zinc/85/02/16/969850216.db2.gz DJDNHTFCYYKCKS-UHFFFAOYSA-N 2 0 245.370 1.964 20 0 BDADRP [NH3+]CCc1cn(C2CCOCC2)c2cc[nH+]cc12 ZINC001255035145 969856940 /nfs/dbraw/zinc/85/69/40/969856940.db2.gz AEFZKVGINHMFCG-UHFFFAOYSA-N 2 0 245.326 1.889 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCN[C@H](Cc2ccccc2)C1 ZINC001210311414 969861639 /nfs/dbraw/zinc/86/16/39/969861639.db2.gz JNIAJWROWRDEFX-OAHLLOKOSA-N 2 0 247.386 1.242 20 0 BDADRP C[C@H]1CCN(CC[C@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001210474073 969899372 /nfs/dbraw/zinc/89/93/72/969899372.db2.gz DFZCJUCDDOXQEQ-QWHCGFSZSA-N 2 0 225.380 1.202 20 0 BDADRP CN1CCC([N@H+](C)C2CCSCC2)CC1 ZINC001255087970 969922429 /nfs/dbraw/zinc/92/24/29/969922429.db2.gz KVGWXHDXAJPGSY-UHFFFAOYSA-N 2 0 228.405 1.908 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+]([C@H]3CCSC3)C2)C1 ZINC001255291720 970055342 /nfs/dbraw/zinc/05/53/42/970055342.db2.gz YCTUPOAODLFPAV-NWDGAFQWSA-N 2 0 226.389 1.520 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC[C@H]2COCC[NH2+]2)cc1 ZINC001170046090 970073288 /nfs/dbraw/zinc/07/32/88/970073288.db2.gz YSTHSMPZEOXDQU-GWCFXTLKSA-N 2 0 235.331 1.107 20 0 BDADRP CCCC[C@H](C)[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001255321745 970097419 /nfs/dbraw/zinc/09/74/19/970097419.db2.gz DACBHDGNKAJUGJ-AWEZNQCLSA-N 2 0 241.423 1.744 20 0 BDADRP CCCC[C@H](C)[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001255329361 970109302 /nfs/dbraw/zinc/10/93/02/970109302.db2.gz KFLAOLINBITVTJ-AWEZNQCLSA-N 2 0 241.423 1.744 20 0 BDADRP CN1CC[C@@H]([NH2+]CCCCC[NH+](C)C)C1 ZINC001255413355 970126316 /nfs/dbraw/zinc/12/63/16/970126316.db2.gz WFMBHQZIJIUHNV-GFCCVEGCSA-N 2 0 213.369 1.012 20 0 BDADRP C[N@@H+]1CC[C@H](Nc2cccc(F)c2C[NH3+])C1 ZINC001255412335 970130402 /nfs/dbraw/zinc/13/04/02/970130402.db2.gz NEHQXAWGKQKQJL-VIFPVBQESA-N 2 0 223.295 1.400 20 0 BDADRP C[N@@H+]1CC[C@@H](N2CCC([NH3+])(CC3CC3)CC2)C1 ZINC001255423497 970148064 /nfs/dbraw/zinc/14/80/64/970148064.db2.gz WMLLYDJHZYRSMG-CYBMUJFWSA-N 2 0 237.391 1.284 20 0 BDADRP C[N@@H+]1CCC[C@@H](N(C(N)=[NH2+])c2ccccc2)C1 ZINC001255469126 970196395 /nfs/dbraw/zinc/19/63/95/970196395.db2.gz BZGZRCMRISNVOT-GFCCVEGCSA-N 2 0 232.331 1.481 20 0 BDADRP C[N@@H+]1CCC[C@@H](N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC001255487773 970235193 /nfs/dbraw/zinc/23/51/93/970235193.db2.gz VGWBOWCAWIGTJN-KGLIPLIRSA-N 2 0 237.391 1.251 20 0 BDADRP CN(CC[NH+]1CCCC1)[C@@H]1CCC[N@H+](C)C1 ZINC001255490957 970242154 /nfs/dbraw/zinc/24/21/54/970242154.db2.gz YQTBPMYGGSNGEZ-CYBMUJFWSA-N 2 0 225.380 1.108 20 0 BDADRP C[C@@H]1CN([C@H]2CCC[NH+](C)C2)C[C@H](C)[N@H+]1C ZINC001255488819 970243672 /nfs/dbraw/zinc/24/36/72/970243672.db2.gz HMLVDHNWQDVQLA-XQQFMLRXSA-N 2 0 225.380 1.105 20 0 BDADRP CC[N@@H+]1CCN([C@H]2CCC[NH+](C)C2)[C@H](C)C1 ZINC001255493370 970257062 /nfs/dbraw/zinc/25/70/62/970257062.db2.gz CGJCRWLNJRUBDW-OLZOCXBDSA-N 2 0 225.380 1.107 20 0 BDADRP COC[C@@H](C)[NH2+]C(C)(C)CC[NH+](C)C ZINC001255560284 970337475 /nfs/dbraw/zinc/33/74/75/970337475.db2.gz NOFYVEXZCPIMSX-SNVBAGLBSA-N 2 0 202.342 1.341 20 0 BDADRP COC[C@@H](C)[NH2+][C@H]1CC[C@@H]([NH+](C)C)CC1 ZINC001255566704 970358838 /nfs/dbraw/zinc/35/88/38/970358838.db2.gz MSDJJIZWIFEOQB-UTUOFQBUSA-N 2 0 214.353 1.484 20 0 BDADRP CC[NH+](CC)CCNC(=[NH2+])N[C@H]1CC[C@@H](C)C1 ZINC001170125382 970373032 /nfs/dbraw/zinc/37/30/32/970373032.db2.gz LHLXPCXCIXAVLL-NEPJUHHUSA-N 2 0 240.395 1.631 20 0 BDADRP CC[C@@H]1C[C@@H](NC(=[NH2+])SCC[NH3+])CCO1 ZINC001170169662 970545231 /nfs/dbraw/zinc/54/52/31/970545231.db2.gz OVXFHVOXHYMKHT-DTWKUNHWSA-N 2 0 231.365 1.160 20 0 BDADRP C[C@@H]([NH2+]Cc1ccccn1)C1CC[NH2+]CC1 ZINC000400332231 970577062 /nfs/dbraw/zinc/57/70/62/970577062.db2.gz CGNUJYVIIANYLJ-LLVKDONJSA-N 2 0 219.332 1.559 20 0 BDADRP C[C@H]([NH2+]Cc1cscn1)C1CC[NH2+]CC1 ZINC000400363096 970583623 /nfs/dbraw/zinc/58/36/23/970583623.db2.gz QQNBELHRVJCYTA-VIFPVBQESA-N 2 0 225.361 1.621 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]CCOC(C)=O ZINC001255955309 970588388 /nfs/dbraw/zinc/58/83/88/970588388.db2.gz QMQDHUGEEUWBCC-LLVKDONJSA-N 2 0 230.352 1.260 20 0 BDADRP CC[C@@H]1C[C@H]([N@H+](C)C2CCN(C)CC2)CCO1 ZINC001170202316 970597863 /nfs/dbraw/zinc/59/78/63/970597863.db2.gz GEAGPPZERLPWLO-ZIAGYGMSSA-N 2 0 240.391 1.970 20 0 BDADRP CC[C@@H]1C[C@@H]([N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CCO1 ZINC001170235518 970611522 /nfs/dbraw/zinc/61/15/22/970611522.db2.gz MZYBPFXTWKDSOJ-RFQIPJPRSA-N 2 0 238.375 1.437 20 0 BDADRP C[C@H]([NH2+]Cc1cocn1)C1CC[NH2+]CC1 ZINC000400644601 970617019 /nfs/dbraw/zinc/61/70/19/970617019.db2.gz OSMDDGFNGQRLMX-VIFPVBQESA-N 2 0 209.293 1.152 20 0 BDADRP Cc1cc(NCC2C[NH+](C)C2)nc2c1C[NH2+]CC2 ZINC001170249479 970655672 /nfs/dbraw/zinc/65/56/72/970655672.db2.gz GVWGILXSLFTXLY-UHFFFAOYSA-N 2 0 246.358 1.009 20 0 BDADRP C[NH+]1CCC(N2C[C@H](C[NH3+])c3ccccc32)CC1 ZINC001256200319 970698153 /nfs/dbraw/zinc/69/81/53/970698153.db2.gz PZQAFQHVGCWBAM-LBPRGKRZSA-N 2 0 245.370 1.643 20 0 BDADRP C[N@@H+]1C[C@H]2CCCN(C3CC[NH+](C)CC3)[C@H]2C1 ZINC001256209483 970715021 /nfs/dbraw/zinc/71/50/21/970715021.db2.gz WWMYIKVGCUSDIU-OCCSQVGLSA-N 2 0 237.391 1.107 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCCN1c1[nH+]ccc2[nH]ccc21 ZINC001157731949 970751153 /nfs/dbraw/zinc/75/11/53/970751153.db2.gz HMKUIPCTWNSELL-MWLCHTKSSA-N 2 0 230.315 1.879 20 0 BDADRP C[C@H]1[C@H]([NH3+])CCCN1c1cc2[nH]ccc2c[nH+]1 ZINC001157734369 970757483 /nfs/dbraw/zinc/75/74/83/970757483.db2.gz WBEGSNIMWDREAX-GXSJLCMTSA-N 2 0 230.315 1.879 20 0 BDADRP C[C@H]1C[C@H]1C[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222533440 972553552 /nfs/dbraw/zinc/55/35/52/972553552.db2.gz ZHHNGIMQFMKEJK-UWVGGRQHSA-N 2 0 200.301 1.405 20 0 BDADRP Cc1cnccc1C[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222532916 972555594 /nfs/dbraw/zinc/55/55/94/972555594.db2.gz PSZQXTZWZTZMJN-UHFFFAOYSA-N 2 0 237.322 1.653 20 0 BDADRP [NH3+][C@@H]1CN(CC[C@@H]2CCC[NH2+]C2)CC(F)(F)C1 ZINC001206116825 972568179 /nfs/dbraw/zinc/56/81/79/972568179.db2.gz GEXNWTIJRDPJDF-QWRGUYRKSA-N 2 0 247.333 1.044 20 0 BDADRP [NH3+]C[C@@H]1CCCCN1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246544399 972619093 /nfs/dbraw/zinc/61/90/93/972619093.db2.gz VMYKEKRPOVOXQQ-FXJUQPSGSA-N 2 0 223.364 1.083 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246551675 972730566 /nfs/dbraw/zinc/73/05/66/972730566.db2.gz UPLQYQBFSFEGRR-BFHYXJOUSA-N 3 0 241.423 1.918 20 0 BDADRP CC[N@@H+]1CC[C@H](NCC[C@H](C)[NH2+]C)[C@H](C)C1 ZINC001327838030 972753773 /nfs/dbraw/zinc/75/37/73/972753773.db2.gz CPXHZNNKZOLGSP-AGIUHOORSA-N 2 0 227.396 1.304 20 0 BDADRP CSCC[C@@H](C)[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246557313 972775013 /nfs/dbraw/zinc/77/50/13/972775013.db2.gz HUJBSYODJNUIBK-NEPJUHHUSA-N 2 0 246.420 1.304 20 0 BDADRP C[C@@H]1CN(C2CC[NH+](C(C)(C)C)CC2)C[C@H]1[NH3+] ZINC001246560418 972795310 /nfs/dbraw/zinc/79/53/10/972795310.db2.gz GIUKIEQKGILJNH-DGCLKSJQSA-N 2 0 239.407 1.528 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@](O)(CF)CC2)CC[NH2+]1 ZINC001246568169 972822829 /nfs/dbraw/zinc/82/28/29/972822829.db2.gz MDANXLFNXZTQNH-AGIUHOORSA-N 2 0 244.354 1.313 20 0 BDADRP C[C@@H]1CN([C@H]2CC[NH2+][C@H](C(C)(C)C)C2)C[C@H]1[NH3+] ZINC001246569538 972823721 /nfs/dbraw/zinc/82/37/21/972823721.db2.gz VXJWDGXXFKZOFJ-XQHKEYJVSA-N 2 0 239.407 1.432 20 0 BDADRP C[C@@H]1C[N@@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)CCN1 ZINC001246574095 972867272 /nfs/dbraw/zinc/86/72/72/972867272.db2.gz JWIZBNGPAPHKST-OLZOCXBDSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@@H]1C[N@@H+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)CCN1 ZINC001246578479 972898279 /nfs/dbraw/zinc/89/82/79/972898279.db2.gz VKLPDSQLYVPGLA-MGPQQGTHSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[C@@H]1O ZINC001246581212 972943356 /nfs/dbraw/zinc/94/33/56/972943356.db2.gz YFNQYHPLOJOHJC-YIPFDTCYSA-N 2 0 238.375 1.362 20 0 BDADRP C[C@H]1C[C@@H](N2CCCC[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC001246589915 972990726 /nfs/dbraw/zinc/99/07/26/972990726.db2.gz GNZKRAHJJXCWBR-AVGNSLFASA-N 2 0 225.380 1.188 20 0 BDADRP C[C@H]1CC[C@H]([N@@H+]2CCNC3(CC[NH2+]CC3)C2)C1 ZINC001246598340 973015592 /nfs/dbraw/zinc/01/55/92/973015592.db2.gz AIVHUCKXLITPKH-STQMWFEESA-N 2 0 237.391 1.202 20 0 BDADRP CC[N@@H+]1CC[C@H](N2CCC[C@@]23CCC[NH2+]C3)C1 ZINC001246610083 973032921 /nfs/dbraw/zinc/03/29/21/973032921.db2.gz ORDYNMDJIPYQKJ-UONOGXRCSA-N 2 0 237.391 1.299 20 0 BDADRP C1C[C@@H]2[C@@H](CCN2[C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)[NH2+]1 ZINC001246640338 973058878 /nfs/dbraw/zinc/05/88/78/973058878.db2.gz SOUAVOUEAQXYJW-XVIXHAIJSA-N 2 0 235.375 1.096 20 0 BDADRP CC[C@H]1C[C@H](N2CC[NH2+][C@@H](CC)C2)CC[NH2+]1 ZINC001246803125 973101017 /nfs/dbraw/zinc/10/10/17/973101017.db2.gz MJBSPCFNASPDSY-RWMBFGLXSA-N 2 0 225.380 1.201 20 0 BDADRP C1CC12C[N@@H+]([C@H]1CCC3(C1)CC[NH2+]CC3)CCN2 ZINC001246835521 973127959 /nfs/dbraw/zinc/12/79/59/973127959.db2.gz UDUHHASGRDTDRB-ZDUSSCGKSA-N 2 0 249.402 1.347 20 0 BDADRP C1CC2(C1)C[C@H](N1CC3(C1)CCCC[NH2+]3)CC[NH2+]2 ZINC001246834303 973134025 /nfs/dbraw/zinc/13/40/25/973134025.db2.gz UFZNFWJJLTUSGT-CYBMUJFWSA-N 2 0 249.402 1.489 20 0 BDADRP C[NH2+]Cc1cccc(N[C@H]2CC[NH2+][C@H](C)C2)c1 ZINC001246848775 973152916 /nfs/dbraw/zinc/15/29/16/973152916.db2.gz DXDJYGKRVRTOSQ-RISCZKNCSA-N 2 0 233.359 1.958 20 0 BDADRP CC(C)[C@H]1C[C@@H](N2C[C@H](C)[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC001246868875 973221843 /nfs/dbraw/zinc/22/18/43/973221843.db2.gz CDESFGKOMOVWOY-XDQVBPFNSA-N 2 0 239.407 1.445 20 0 BDADRP [NH3+]C[C@H]1CCCN1[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246913091 973453618 /nfs/dbraw/zinc/45/36/18/973453618.db2.gz KAADOVYEMOTYAJ-VXGBXAGGSA-N 2 0 223.364 1.084 20 0 BDADRP [NH3+]C[C@H]1CCCN1[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246913085 973454453 /nfs/dbraw/zinc/45/44/53/973454453.db2.gz KAADOVYEMOTYAJ-NWDGAFQWSA-N 2 0 223.364 1.084 20 0 BDADRP C[NH2+]CCC[N@@H+]1C[C@@H]2CNc3ccccc3[C@H]2C1 ZINC001224117588 973456633 /nfs/dbraw/zinc/45/66/33/973456633.db2.gz APJCTSHPNQCODO-JSGCOSHPSA-N 2 0 245.370 1.737 20 0 BDADRP CC(C)(C)[C@@H]1C[C@H](N2C[C@H]3C[NH2+][C@@H]3C2)CC[NH2+]1 ZINC001246916575 973467009 /nfs/dbraw/zinc/46/70/09/973467009.db2.gz IJJQUWNYESLKPC-LPWJVIDDSA-N 2 0 237.391 1.057 20 0 BDADRP CCC[C@@H]1CNCC[N@@H+]1C1CCC([NH2+]C)CC1 ZINC001246935969 973627948 /nfs/dbraw/zinc/62/79/48/973627948.db2.gz VZNQBWKKJJRWAR-JXQTWKCFSA-N 2 0 239.407 1.591 20 0 BDADRP CC(C)COCC[C@@H](C)[N@H+](C)C[C@H](C)[NH3+] ZINC001246981943 973751395 /nfs/dbraw/zinc/75/13/95/973751395.db2.gz UYWWHBIPHDBKSJ-NWDGAFQWSA-N 2 0 216.369 1.717 20 0 BDADRP COCCCCC[NH2+]CC1CC[NH+](C)CC1 ZINC000234768309 973753892 /nfs/dbraw/zinc/75/38/92/973753892.db2.gz LODBJKVDGIIRBO-UHFFFAOYSA-N 2 0 228.380 1.735 20 0 BDADRP C1=C2[NH2+]CCN([C@H]3CCC[NH2+]C3)[C@@H]2CCC1 ZINC001246998470 973797610 /nfs/dbraw/zinc/79/76/10/973797610.db2.gz XFZFOXMFKHVERG-WCQYABFASA-N 2 0 221.348 1.080 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H]([NH3+])C1CCCCC1 ZINC001329518650 973808955 /nfs/dbraw/zinc/80/89/55/973808955.db2.gz ADBBLWGHGQGEFI-UMNHJUIQSA-N 2 0 241.379 1.136 20 0 BDADRP CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]C)[NH+](CC)CC ZINC001329564181 973828469 /nfs/dbraw/zinc/82/84/69/973828469.db2.gz ILXFDFMDUKSQFD-NEPJUHHUSA-N 2 0 243.395 1.221 20 0 BDADRP CC[N@@H+]1CC[C@@H](OC[C@@H]2CCCC[NH+]2C)C1 ZINC001224701894 973866809 /nfs/dbraw/zinc/86/68/09/973866809.db2.gz JBKBGANDWHEWBW-QWHCGFSZSA-N 2 0 226.364 1.582 20 0 BDADRP CC[NH+]1CCC(OC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001224703432 973869438 /nfs/dbraw/zinc/86/94/38/973869438.db2.gz SGPKRCMKVYHTHE-ZDUSSCGKSA-N 2 0 240.391 1.972 20 0 BDADRP C[N@@H+]1CCC[C@H]1CO[C@@H]1CCc2nccn2C1 ZINC001224816806 973992157 /nfs/dbraw/zinc/99/21/57/973992157.db2.gz ARLHOHXVNPVTRW-NWDGAFQWSA-N 2 0 235.331 1.309 20 0 BDADRP C[C@H]([NH3+])c1ccc(Nc2nccnc2C[NH3+])cc1 ZINC001171447616 974070150 /nfs/dbraw/zinc/07/01/50/974070150.db2.gz JOPWSZJTPFJZQL-VIFPVBQESA-N 2 0 243.314 1.699 20 0 BDADRP C[NH+]1C(C)(C)CC([NH2+]C2(CO)CC2)CC1(C)C ZINC001171620203 974114857 /nfs/dbraw/zinc/11/48/57/974114857.db2.gz YZEXOQLWRKAKST-UHFFFAOYSA-N 2 0 240.391 1.752 20 0 BDADRP Cc1ccc(CC[C@H](C)[NH2+]C[C@@H](O)C[NH3+])cc1 ZINC001171654971 974121045 /nfs/dbraw/zinc/12/10/45/974121045.db2.gz DBEQXIIUIUVXKH-JSGCOSHPSA-N 2 0 236.359 1.225 20 0 BDADRP CCC[NH2+]CCCNC(=O)CC[N@H+](C)CCC ZINC001171732293 974142687 /nfs/dbraw/zinc/14/26/87/974142687.db2.gz ZEFDVKFHENPVLO-UHFFFAOYSA-N 2 0 243.395 1.224 20 0 BDADRP Cc1ccc(CN2CC[C@@H](F)[C@@H]([NH3+])CC2)o1 ZINC001206156761 974328580 /nfs/dbraw/zinc/32/85/80/974328580.db2.gz SPQTWDVJSCKKJV-NEPJUHHUSA-N 2 0 226.295 1.849 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@@H]1CCCO1)C2 ZINC001172098924 974340526 /nfs/dbraw/zinc/34/05/26/974340526.db2.gz DMEVEQNBQARPAG-FQUUOJAGSA-N 2 0 238.375 1.770 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCF)C2 ZINC001172102643 974361322 /nfs/dbraw/zinc/36/13/22/974361322.db2.gz NZXHJVGFNZDOBN-RTCCRHLQSA-N 2 0 200.301 1.561 20 0 BDADRP Cc1cc(C[NH3+])nn1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172103600 974363722 /nfs/dbraw/zinc/36/37/22/974363722.db2.gz WEDUYYSWUQHXTF-WDNDVIMCSA-N 2 0 248.374 1.838 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1CC(O)C1)C2 ZINC001172108004 974365234 /nfs/dbraw/zinc/36/52/34/974365234.db2.gz NKLGYSNDRFPFJO-VDLCUWCOSA-N 2 0 238.375 1.362 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@@H]1CCO1)C2 ZINC001172108177 974366908 /nfs/dbraw/zinc/36/69/08/974366908.db2.gz QZVKSYPGBUIWRZ-RVMXOQNASA-N 2 0 224.348 1.380 20 0 BDADRP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1C[C@H](O)C1)C2 ZINC001172108693 974371880 /nfs/dbraw/zinc/37/18/80/974371880.db2.gz YCRQBKUJOBNRKY-XXCSZPINSA-N 2 0 224.348 1.115 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)cc1 ZINC001330702580 974428539 /nfs/dbraw/zinc/42/85/39/974428539.db2.gz XHKKNGDUZWJXBI-SKZLGDCLSA-N 2 0 245.326 1.253 20 0 BDADRP CC[NH+](CC)CCC[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172230274 974470237 /nfs/dbraw/zinc/47/02/37/974470237.db2.gz VVHQELCAXUWYNB-AGUYFDCRSA-N 2 0 238.375 1.794 20 0 BDADRP CCC[N@H+](CCC[NH3+])[C@H]1COC(C)(C)C1 ZINC001172269878 974486404 /nfs/dbraw/zinc/48/64/04/974486404.db2.gz ITONKAIZYXQDFS-LLVKDONJSA-N 2 0 214.353 1.615 20 0 BDADRP CC(C)[N@H+](CCC[NH3+])[C@H]1COC(C)(C)C1 ZINC001172271414 974487034 /nfs/dbraw/zinc/48/70/34/974487034.db2.gz VDPRTYQLHGCYEY-LLVKDONJSA-N 2 0 214.353 1.613 20 0 BDADRP C[C@H]1CN(C)CC[C@H]1[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172235471 974495509 /nfs/dbraw/zinc/49/55/09/974495509.db2.gz BCDBSHGDEXYZMC-APYLGABCSA-N 2 0 236.359 1.402 20 0 BDADRP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+]([C@@H]1COC(C)(C)C1)C2 ZINC001172290225 974557844 /nfs/dbraw/zinc/55/78/44/974557844.db2.gz CBMWBWYJHDADLW-MBNYWOFBSA-N 2 0 238.375 1.437 20 0 BDADRP CCOCC[C@H](C)[NH2+][C@@H]1CCN(C(C)C)C1 ZINC001172412451 974678133 /nfs/dbraw/zinc/67/81/33/974678133.db2.gz XXZRVPKZRNRMBQ-QWHCGFSZSA-N 2 0 228.380 1.874 20 0 BDADRP CCOCC[C@@H](C)[NH+]1CCC(C)([NH3+])CC1 ZINC001172418903 974691617 /nfs/dbraw/zinc/69/16/17/974691617.db2.gz HQQBHYSMSLCWPO-LLVKDONJSA-N 2 0 214.353 1.615 20 0 BDADRP CCOCC[C@@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001172433279 974720467 /nfs/dbraw/zinc/72/04/67/974720467.db2.gz OJNWUAHFAQQYSP-UPJWGTAASA-N 2 0 226.364 1.295 20 0 BDADRP C[C@@H](O)[C@H](C)[NH2+]CCCCCCC[NH+](C)C ZINC001331974080 974899121 /nfs/dbraw/zinc/89/91/21/974899121.db2.gz ZQZLKQYYQWMSQP-QWHCGFSZSA-N 2 0 230.396 1.857 20 0 BDADRP [NH3+][C@@H](C[NH2+][C@@H]1CCCOCC1)CC(F)F ZINC001332010829 974918945 /nfs/dbraw/zinc/91/89/45/974918945.db2.gz DQMCIJINKMNWAP-RKDXNWHRSA-N 2 0 222.279 1.128 20 0 BDADRP COC(=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)C[NH3+])CC1 ZINC001172802962 974955250 /nfs/dbraw/zinc/95/52/50/974955250.db2.gz ZHSSUKQEYQEBAF-TUAOUCFPSA-N 2 0 242.363 1.293 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC001172915839 974966083 /nfs/dbraw/zinc/96/60/83/974966083.db2.gz XBFLSVBUTRCPKP-UMSGYPCISA-N 2 0 226.364 1.804 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC001172915829 974966400 /nfs/dbraw/zinc/96/64/00/974966400.db2.gz XBFLSVBUTRCPKP-LOWDOPEQSA-N 2 0 226.364 1.804 20 0 BDADRP CO[C@@H]1CCC[C@@H]([N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC001172941975 974999788 /nfs/dbraw/zinc/99/97/88/974999788.db2.gz HJHSIPCQFSTRST-XJFOESAGSA-N 2 0 238.375 1.437 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc[nH+]c(N)c1)C2 ZINC001226655161 975001743 /nfs/dbraw/zinc/00/17/43/975001743.db2.gz FAJOPSDTNYFRSE-IAZYJMLFSA-N 2 0 233.315 1.668 20 0 BDADRP Cc1nc(N(C)C2CC[NH2+]CC2)cc(N(C)C)[nH+]1 ZINC000258809273 975010072 /nfs/dbraw/zinc/01/00/72/975010072.db2.gz URHWEPWJFPVRSE-UHFFFAOYSA-N 2 0 249.362 1.039 20 0 BDADRP CC[N@H+]1C[C@@H]2C[NH+]([C@H]3CCO[C@@H](C)C3)C[C@@H]2C1 ZINC001173174743 975051192 /nfs/dbraw/zinc/05/11/92/975051192.db2.gz YSRBUTJJMJSDBO-FQUUOJAGSA-N 2 0 238.375 1.437 20 0 BDADRP F[C@@H]1CCC[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC001332420467 975107206 /nfs/dbraw/zinc/10/72/06/975107206.db2.gz LJJCXJRMBLIMOU-XDIHCQEQSA-N 2 0 238.350 1.853 20 0 BDADRP Cc1[nH]c2ccc(NC[C@H]3COCC[NH2+]3)cc2[nH+]1 ZINC000258943372 975278953 /nfs/dbraw/zinc/27/89/53/975278953.db2.gz PXCAKRIZCIXJOX-NSHDSACASA-N 2 0 246.314 1.272 20 0 BDADRP CC[N@@H+]1CC[C@@H](n2c3ccccc3nc2C[NH3+])C1 ZINC001173348875 975290374 /nfs/dbraw/zinc/29/03/74/975290374.db2.gz UWAWXGKSAABSRX-LLVKDONJSA-N 2 0 244.342 1.762 20 0 BDADRP CC[N@@H+]1CC[C@H](Nc2cccc(F)c2C[NH3+])C1 ZINC001173349455 975290825 /nfs/dbraw/zinc/29/08/25/975290825.db2.gz GMKFSGZZTGAARZ-JTQLQIEISA-N 2 0 237.322 1.791 20 0 BDADRP CCC[NH+](CCC)CCN[C@H]1CC[N@H+](CC)C1 ZINC001173350069 975296096 /nfs/dbraw/zinc/29/60/96/975296096.db2.gz NKPNOYRXPRVCLB-AWEZNQCLSA-N 2 0 241.423 1.792 20 0 BDADRP CC[N@@H+]1CC[C@H](n2nc(C[NH3+])c3ccccc32)C1 ZINC001173352511 975301475 /nfs/dbraw/zinc/30/14/75/975301475.db2.gz OKAUWNCFVFDJOT-NSHDSACASA-N 2 0 244.342 1.762 20 0 BDADRP CCC[NH2+]CCN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC001332875337 975305569 /nfs/dbraw/zinc/30/55/69/975305569.db2.gz APEDOFRZSBHSBI-VXGBXAGGSA-N 2 0 227.396 1.482 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC001332880239 975307816 /nfs/dbraw/zinc/30/78/16/975307816.db2.gz VVGZLBXHWXIEOD-SFWGVHFYSA-N 2 0 249.402 1.090 20 0 BDADRP CCN1CC[C@@H]([NH2+][C@H]2CC[C@@H]([NH+](C)C)CC2)C1 ZINC001173357391 975317064 /nfs/dbraw/zinc/31/70/64/975317064.db2.gz JXMQVYBZWVZUSE-MCIONIFRSA-N 2 0 239.407 1.543 20 0 BDADRP CC[N@@H+]1CC[C@@H](N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC001173365385 975344444 /nfs/dbraw/zinc/34/44/44/975344444.db2.gz HBNXIGZQWGJPPF-ZIAGYGMSSA-N 2 0 237.391 1.251 20 0 BDADRP Cc1cc(CN2CC[C@@H]([NH3+])[C@H](F)CC2)sn1 ZINC001206201556 975385162 /nfs/dbraw/zinc/38/51/62/975385162.db2.gz XJDZYZHNRAICNY-GHMZBOCLSA-N 2 0 243.351 1.713 20 0 BDADRP Cc1cc(N[C@@H]2CCCC[C@H]2[NH+](C)C)nc(N)[nH+]1 ZINC001333601730 975882494 /nfs/dbraw/zinc/88/24/94/975882494.db2.gz JZQHQMCYQHPPPX-GHMZBOCLSA-N 2 0 249.362 1.652 20 0 BDADRP CC[N@@H+]1CCC[C@H](CNC(=[NH2+])NCC(F)F)C1 ZINC001334041492 976236389 /nfs/dbraw/zinc/23/63/89/976236389.db2.gz GNDPZQSPFPHQRG-SECBINFHSA-N 2 0 248.321 1.097 20 0 BDADRP C[C@@H]([NH3+])CN1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC001334337455 976454839 /nfs/dbraw/zinc/45/48/39/976454839.db2.gz JVZDTKYTFWCROP-CHWSQXEVSA-N 2 0 239.407 1.435 20 0 BDADRP C[N@@H+]1CC[C@H](Oc2ccc3c(c2)CC[NH+](C)C3)C1 ZINC001228936988 976587536 /nfs/dbraw/zinc/58/75/36/976587536.db2.gz RZSCRENIEYNHFQ-HNNXBMFYSA-N 2 0 246.354 1.757 20 0 BDADRP CCC[NH2+]CCN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC001334743376 976593958 /nfs/dbraw/zinc/59/39/58/976593958.db2.gz QIDNTROOFRUWIX-GFCCVEGCSA-N 2 0 227.396 1.354 20 0 BDADRP Cc1[nH+]cc(Nc2cc[nH+]cc2C)n1C ZINC001174537980 976826503 /nfs/dbraw/zinc/82/65/03/976826503.db2.gz VYOLYZBLYPYPGW-UHFFFAOYSA-N 2 0 202.261 1.597 20 0 BDADRP C[C@H](O)C[NH2+]CCC[NH+]1CCCCCC1 ZINC001335344440 976979782 /nfs/dbraw/zinc/97/97/82/976979782.db2.gz CTYXUHNIPYYJAG-LBPRGKRZSA-N 2 0 214.353 1.223 20 0 BDADRP Cc1ccc([C@@H](O)C[NH2+]C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001335350258 976986822 /nfs/dbraw/zinc/98/68/22/976986822.db2.gz FODUYLFWISAGFX-ZFWWWQNUSA-N 2 0 248.370 1.570 20 0 BDADRP OCC[N@@H+]1CCC[C@@H]2[C@@H]1CCN2c1cc[nH+]cc1 ZINC001336423996 977673970 /nfs/dbraw/zinc/67/39/70/977673970.db2.gz QYXGTMKZXWTNRQ-UONOGXRCSA-N 2 0 247.342 1.117 20 0 BDADRP OC1CC[NH+](Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001232012162 977840319 /nfs/dbraw/zinc/84/03/19/977840319.db2.gz UJWVMFWIXQPPSQ-UHFFFAOYSA-N 2 0 231.299 1.520 20 0 BDADRP Cc1cc(Nc2[nH+]ccn2C)cc(C)[nH+]1 ZINC001176051819 977897081 /nfs/dbraw/zinc/89/70/81/977897081.db2.gz KDJHDSLJUQGZCA-UHFFFAOYSA-N 2 0 202.261 1.597 20 0 BDADRP Cc1[nH+]cn(C)c1Nc1cc(C)[nH+]c(C)c1 ZINC001176054188 977904989 /nfs/dbraw/zinc/90/49/89/977904989.db2.gz SNIGCTHFVCMLFX-UHFFFAOYSA-N 2 0 216.288 1.906 20 0 BDADRP Cc1cc(F)cc(N2CC[C@@H](C[NH+](C)C)C2)n1 ZINC001337110067 978167169 /nfs/dbraw/zinc/16/71/69/978167169.db2.gz ZVKQQRAHEGTBFF-NSHDSACASA-N 2 0 237.322 1.917 20 0 BDADRP C[NH+](C)CCCO[C@@H]1CCC[N@H+](C)CC1 ZINC001206288237 978264296 /nfs/dbraw/zinc/26/42/96/978264296.db2.gz WZFCOZWETKFDGS-GFCCVEGCSA-N 2 0 214.353 1.439 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@H+](CCC2C[NH2+]C2)CC1 ZINC001206294834 978300776 /nfs/dbraw/zinc/30/07/76/978300776.db2.gz KHTJDKWDZNBADN-ZDUSSCGKSA-N 3 0 225.380 1.047 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCO[C@H](C)C2)C1 ZINC001177542870 978394092 /nfs/dbraw/zinc/39/40/92/978394092.db2.gz VLMMCFUVXKJFNA-MCIONIFRSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1c[nH]c(=O)c(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1 ZINC001233196186 978493856 /nfs/dbraw/zinc/49/38/56/978493856.db2.gz QXYDFEFSCBOJAS-BETUJISGSA-N 2 0 247.342 1.089 20 0 BDADRP C[NH2+][C@@H](C)CCNC[C@@H]([NH3+])CCC(C)(C)C ZINC001337837296 978521518 /nfs/dbraw/zinc/52/15/18/978521518.db2.gz AJHUTGLQLQQUEY-RYUDHWBXSA-N 2 0 229.412 1.728 20 0 BDADRP CC(C)(C)[N@@H+]1CC[C@H]1CNc1nccnc1C[NH3+] ZINC001337917436 978561332 /nfs/dbraw/zinc/56/13/32/978561332.db2.gz QQRZZGMTZXXONK-JTQLQIEISA-N 2 0 249.362 1.220 20 0 BDADRP OC1(C[NH2+][C@H]2C[C@@H]([NH+]3CCCC3)C2)CCC1 ZINC001338552712 978707104 /nfs/dbraw/zinc/70/71/04/978707104.db2.gz TYGNCRGQEFOAPA-TXEJJXNPSA-N 2 0 224.348 1.118 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C1 ZINC000070327343 978837903 /nfs/dbraw/zinc/83/79/03/978837903.db2.gz YXXJCERVRPLCDC-MCIONIFRSA-N 2 0 240.391 1.875 20 0 BDADRP C[NH2+]CCCN1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235042233 978960624 /nfs/dbraw/zinc/96/06/24/978960624.db2.gz WMETYLIQLNMSKC-ZDUSSCGKSA-N 2 0 225.380 1.204 20 0 BDADRP C([C@@H]1CCCC[NH2+]1)N1CCCC[C@]12CC[NH2+]C2 ZINC001235126563 978978341 /nfs/dbraw/zinc/97/83/41/978978341.db2.gz UFQRLVJSNCCKLY-UONOGXRCSA-N 2 0 237.391 1.347 20 0 BDADRP Nc1cc[nH+]cc1CN1CCCC[C@]12CC[NH2+]C2 ZINC001235119211 978978774 /nfs/dbraw/zinc/97/87/74/978978774.db2.gz YMBGLRZMYKSZDF-CQSZACIVSA-N 2 0 246.358 1.212 20 0 BDADRP C[C@@H]1C[C@@H]1C[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235126637 978982069 /nfs/dbraw/zinc/98/20/69/978982069.db2.gz VPNHMDZUCUFZIH-UPJWGTAASA-N 2 0 208.349 1.860 20 0 BDADRP C[C@@H]1C[C@H]1C[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235126634 978982590 /nfs/dbraw/zinc/98/25/90/978982590.db2.gz VPNHMDZUCUFZIH-FRRDWIJNSA-N 2 0 208.349 1.860 20 0 BDADRP CC[C@H]([NH3+])CN1CCCC[C@]12CCC[NH2+]C2 ZINC001235172317 978990929 /nfs/dbraw/zinc/99/09/29/978990929.db2.gz LMNRNDUDKYBDSU-QWHCGFSZSA-N 2 0 225.380 1.332 20 0 BDADRP C(CN1C[C@H]2CCC[NH2+][C@H]2C1)[C@H]1CCCC[NH2+]1 ZINC001235208982 978996025 /nfs/dbraw/zinc/99/60/25/978996025.db2.gz FAIPVKITNUFMPQ-MCIONIFRSA-N 2 0 237.391 1.202 20 0 BDADRP C1=C[C@@H]2C[C@H]1C[C@H]2C[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001235209819 978996754 /nfs/dbraw/zinc/99/67/54/978996754.db2.gz RAJYQGIREMAVHY-QRTUWBSPSA-N 2 0 232.371 1.882 20 0 BDADRP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2C1CCCC1 ZINC001277930460 978997211 /nfs/dbraw/zinc/99/72/11/978997211.db2.gz KPNQCWYFAIRBLR-OKILXGFUSA-N 2 0 237.391 1.249 20 0 BDADRP [NH3+]Cc1cccc(CN2C[C@@H]([NH3+])C[C@H](F)C2)c1 ZINC001206444315 979012291 /nfs/dbraw/zinc/01/22/91/979012291.db2.gz HEKNDTVFLJBQEL-STQMWFEESA-N 2 0 237.322 1.016 20 0 BDADRP C[C@@H]([NH3+])CN1CC[C@@H](O)[C@@H]1Cc1ccccc1 ZINC001235554631 979100813 /nfs/dbraw/zinc/10/08/13/979100813.db2.gz KSBCFACBQBDMIP-KWCYVHTRSA-N 2 0 234.343 1.012 20 0 BDADRP C[C@H](O)C[NH+]1CCC2(CCC[N@H+](C)C2)CC1 ZINC001277957352 979104102 /nfs/dbraw/zinc/10/41/02/979104102.db2.gz AZZARJGQGMWJTQ-LBPRGKRZSA-N 2 0 226.364 1.175 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](CNCc2cccnc2N)C1 ZINC001181471095 979116523 /nfs/dbraw/zinc/11/65/23/979116523.db2.gz BPAVSOQAEDDEJD-LBPRGKRZSA-N 2 0 248.374 1.484 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCC[C@H]1Cc1ccccn1 ZINC001235736401 979140635 /nfs/dbraw/zinc/14/06/35/979140635.db2.gz VPFYIHAHSZNVAY-AWEZNQCLSA-N 2 0 233.359 1.827 20 0 BDADRP [NH3+]CCCC[NH+]1CCC(N2CC(F)(F)C2)CC1 ZINC001235885728 979180828 /nfs/dbraw/zinc/18/08/28/979180828.db2.gz XANOCQZGFPIQBJ-UHFFFAOYSA-N 2 0 247.333 1.141 20 0 BDADRP [NH3+]CC[C@@H]1CCCN1CC[C@@H]1CCCC[NH2+]1 ZINC001235925292 979209118 /nfs/dbraw/zinc/20/91/18/979209118.db2.gz PYTRIMMAJDJMPM-STQMWFEESA-N 2 0 225.380 1.332 20 0 BDADRP C(CN1C[C@H]2CC[NH2+]C[C@H]2C1)[C@H]1CCCC[NH2+]1 ZINC001235929299 979212345 /nfs/dbraw/zinc/21/23/45/979212345.db2.gz KWNAZKGRRNWQNV-HZSPNIEDSA-N 2 0 237.391 1.060 20 0 BDADRP CCOC(=O)[C@@H](C)[C@H](C)[NH2+]C[C@H]1CCCN1C ZINC001341058946 979215201 /nfs/dbraw/zinc/21/52/01/979215201.db2.gz DSZDWFQTXMACOY-SDDRHHMPSA-N 2 0 242.363 1.258 20 0 BDADRP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1CCCO ZINC001235973134 979246478 /nfs/dbraw/zinc/24/64/78/979246478.db2.gz LIKLTWUSTQNNIJ-KBPBESRZSA-N 2 0 240.391 1.708 20 0 BDADRP [NH3+][C@]12C[C@H]1CN(Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001236032149 979330333 /nfs/dbraw/zinc/33/03/33/979330333.db2.gz VFVILTMVQRDSCB-GWCFXTLKSA-N 2 0 228.299 1.096 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CN(CC[C@H]2CCCC[NH2+]2)C1 ZINC001236044916 979332575 /nfs/dbraw/zinc/33/25/75/979332575.db2.gz PVDMRJFVLKKKAK-FRRDWIJNSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CN(CC[C@H]2CCC[NH2+]C2)C1 ZINC001236043974 979338063 /nfs/dbraw/zinc/33/80/63/979338063.db2.gz HHANUNQMWIRZMF-JHJVBQTASA-N 2 0 225.380 1.045 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CN(Cc2cccc(C[NH3+])c2)C1 ZINC001236052286 979343064 /nfs/dbraw/zinc/34/30/64/979343064.db2.gz PXFDFQCTJFCMOU-RISCZKNCSA-N 2 0 233.359 1.314 20 0 BDADRP C[NH+](C)CCCNC1CC[NH+](CC2CC2)CC1 ZINC000151913202 979351922 /nfs/dbraw/zinc/35/19/22/979351922.db2.gz SNSWJBYCQPVORO-UHFFFAOYSA-N 2 0 239.407 1.402 20 0 BDADRP C(C1CC2(C1)CC[NH2+]CC2)N(C1CC1)C1C[NH2+]C1 ZINC001236062544 979352996 /nfs/dbraw/zinc/35/29/96/979352996.db2.gz JJCKLDSQSQTHKX-UHFFFAOYSA-N 2 0 249.402 1.202 20 0 BDADRP C[C@H]1CN(CC[C@@H]2CCCC[NH2+]2)[C@@H](C)C[NH2+]1 ZINC001236079447 979357324 /nfs/dbraw/zinc/35/73/24/979357324.db2.gz SNDYERFYWRVMGI-AVGNSLFASA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H]1CN(Cc2ccc3c(c2)CC[NH2+]C3)C[C@@H]1[NH3+] ZINC001236094391 979385546 /nfs/dbraw/zinc/38/55/46/979385546.db2.gz SSNZUGCSSUAAST-ABAIWWIYSA-N 3 0 245.370 1.111 20 0 BDADRP C[C@H]1CN(CC[C@H]2CCCC[NH2+]2)CCC[NH2+]1 ZINC001236097216 979389995 /nfs/dbraw/zinc/38/99/95/979389995.db2.gz JSSUPRWVBYSEIG-QWHCGFSZSA-N 2 0 225.380 1.202 20 0 BDADRP CCC[C@@H]1C[NH2+]CCN1CC[C@@H]1CCCC[NH2+]1 ZINC001236132960 979400919 /nfs/dbraw/zinc/40/09/19/979400919.db2.gz SUGQDAFMFNIAQU-UONOGXRCSA-N 2 0 239.407 1.593 20 0 BDADRP CCN(CC[NH3+])CCC[NH2+]C1CCCCC1 ZINC001236142313 979407325 /nfs/dbraw/zinc/40/73/25/979407325.db2.gz VJIJDBCCUGINOJ-UHFFFAOYSA-N 2 0 227.396 1.579 20 0 BDADRP C[N@H+](CCCC[NH3+])CCC[NH2+]C1CCCCC1 ZINC001236140750 979408327 /nfs/dbraw/zinc/40/83/27/979408327.db2.gz FUWSXBNDQXEPIR-UHFFFAOYSA-N 3 0 241.423 1.970 20 0 BDADRP CCC1([NH3+])CN(C[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC001236185290 979438591 /nfs/dbraw/zinc/43/85/91/979438591.db2.gz FKIYYKHSZVXYCD-AWEZNQCLSA-N 2 0 245.370 1.124 20 0 BDADRP [NH3+]C[C@H]1C[N@H+](Cc2cccc3occc32)C[C@H]1O ZINC001206480748 979447919 /nfs/dbraw/zinc/44/79/19/979447919.db2.gz JLTRAZLFGLBSBT-WCQYABFASA-N 2 0 246.310 1.184 20 0 BDADRP CN(CC[C@@H]1CCCC[NH2+]1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236210327 979449390 /nfs/dbraw/zinc/44/93/90/979449390.db2.gz BJORBPSOAGHCBS-IHRRRGAJSA-N 2 0 239.407 1.720 20 0 BDADRP CN(C[C@@H]1CCC[NH2+]C1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236215812 979454869 /nfs/dbraw/zinc/45/48/69/979454869.db2.gz YEEXRTZQAUKIFO-UPJWGTAASA-N 2 0 225.380 1.188 20 0 BDADRP C[N@H+](CCO)CCC[NH2+]C1CCCCC1 ZINC001236254186 979472603 /nfs/dbraw/zinc/47/26/03/979472603.db2.gz VVSMQZSUUFIDQX-UHFFFAOYSA-N 2 0 214.353 1.223 20 0 BDADRP C(C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1)C1CC1 ZINC001236314532 979506557 /nfs/dbraw/zinc/50/65/57/979506557.db2.gz QMWQSOQEMLWHDE-BETUJISGSA-N 2 0 208.349 1.718 20 0 BDADRP C[NH2+]C1(C(=O)Nc2ccc(C[NH3+])cc2)CCC1 ZINC001341649373 979509994 /nfs/dbraw/zinc/50/99/94/979509994.db2.gz JPZJGQKXYQYMMO-UHFFFAOYSA-N 2 0 233.315 1.226 20 0 BDADRP Cc1cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)n(C)n1 ZINC001236315522 979530354 /nfs/dbraw/zinc/53/03/54/979530354.db2.gz KAYNIMQWVGSYGP-BETUJISGSA-N 2 0 248.374 1.160 20 0 BDADRP Cc1ncn(C)c1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320140 979531994 /nfs/dbraw/zinc/53/19/94/979531994.db2.gz DERZEEIQROCYOZ-BETUJISGSA-N 2 0 248.374 1.160 20 0 BDADRP CCCN(Cc1cccc(C[NH3+])c1)[C@@H]1CC[NH2+]C1 ZINC001236325066 979535056 /nfs/dbraw/zinc/53/50/56/979535056.db2.gz YBFUAFGNQNRHDW-OAHLLOKOSA-N 2 0 247.386 1.719 20 0 BDADRP CCC[N@H+](CCCC[NH3+])CCC[NH+](C)C ZINC001236322863 979539161 /nfs/dbraw/zinc/53/91/61/979539161.db2.gz UNTRQOKJTZYGET-UHFFFAOYSA-N 3 0 215.385 1.389 20 0 BDADRP CCN(CC[C@H]1CCCC[NH2+]1)C[C@@H]1CC[NH2+]C1 ZINC001236407950 979584751 /nfs/dbraw/zinc/58/47/51/979584751.db2.gz JROZLCUHPQOWOG-ZIAGYGMSSA-N 3 0 239.407 1.450 20 0 BDADRP CC[NH+](CC)CC[C@H](C)NC(=O)CC(C)(C)[NH3+] ZINC001341949282 979589267 /nfs/dbraw/zinc/58/92/67/979589267.db2.gz IYDHLYDCKAGQPQ-NSHDSACASA-N 2 0 243.395 1.350 20 0 BDADRP CC[C@@H]([NH3+])CN(CC(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236474261 979598498 /nfs/dbraw/zinc/59/84/98/979598498.db2.gz PPATYQAMCMQGFN-CHWSQXEVSA-N 2 0 227.396 1.434 20 0 BDADRP CO[C@@H](C)C[NH2+]CCC[N@H+](C)CC(C)C ZINC001182715404 979617171 /nfs/dbraw/zinc/61/71/71/979617171.db2.gz QVHXTLKPFBJBEC-LBPRGKRZSA-N 2 0 216.369 1.589 20 0 BDADRP C[NH2+]CCCN1CCCC[C@@](C)(C[NH3+])C1 ZINC001206541364 979643502 /nfs/dbraw/zinc/64/35/02/979643502.db2.gz GUHVSJIRMVOFOE-LBPRGKRZSA-N 2 0 213.369 1.047 20 0 BDADRP C[C@@H]1CN(CCC2CC[NH+](C)CC2)C[C@@H](C)[NH2+]1 ZINC001236576132 979645910 /nfs/dbraw/zinc/64/59/10/979645910.db2.gz BUDMKOWUIPKQSD-CHWSQXEVSA-N 2 0 239.407 1.401 20 0 BDADRP Cc1nc(C)c(C[NH+]2CC3(C2)CC[NH+](C)CC3)o1 ZINC001236595264 979672971 /nfs/dbraw/zinc/67/29/71/979672971.db2.gz PNEOBXJNXRHCLM-UHFFFAOYSA-N 2 0 249.358 1.819 20 0 BDADRP CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]C(C)C)[NH+](C)C ZINC001277986668 979673362 /nfs/dbraw/zinc/67/33/62/979673362.db2.gz BHZYKJAMAUNMIY-VXGBXAGGSA-N 2 0 243.395 1.172 20 0 BDADRP C[C@@]1([NH3+])CCCN(C[C@@H]([NH3+])c2ccccc2)CC1 ZINC001205255126 979733534 /nfs/dbraw/zinc/73/35/34/979733534.db2.gz HEIKIWREZFEOJT-HUUCEWRRSA-N 2 0 247.386 1.890 20 0 BDADRP C[C@@]1([NH3+])CCC[N@H+](Cc2cn[nH]c2)CC1 ZINC001205255813 979740706 /nfs/dbraw/zinc/74/07/06/979740706.db2.gz LFSBDKIWVFQBRG-LLVKDONJSA-N 2 0 208.309 1.113 20 0 BDADRP CC(C)([NH3+])c1ccc(NC(=O)[C@@H]2C[C@@H]2C[NH3+])cc1 ZINC001342260777 979742347 /nfs/dbraw/zinc/74/23/47/979742347.db2.gz WGYFJCXFWYZYGM-BXKDBHETSA-N 2 0 247.342 1.414 20 0 BDADRP CCC[N@H+](CCCCCC[NH3+])C[C@H]1CC[NH2+]C1 ZINC001236833905 979744340 /nfs/dbraw/zinc/74/43/40/979744340.db2.gz DHLWHRPVZUTZPS-AWEZNQCLSA-N 3 0 241.423 1.827 20 0 BDADRP C[N@@H+]1CCN(CCCC[NH3+])C2(CCCC2)C1 ZINC001236844349 979751647 /nfs/dbraw/zinc/75/16/47/979751647.db2.gz UOTWMILFGMYZNR-UHFFFAOYSA-N 2 0 225.380 1.286 20 0 BDADRP C[C@]1([NH3+])CCC[N@H+](Cc2ccc(CO)cc2)CC1 ZINC001205257179 979758577 /nfs/dbraw/zinc/75/85/77/979758577.db2.gz TUARQAQOMOPJQM-HNNXBMFYSA-N 2 0 248.370 1.882 20 0 BDADRP C[C@H]([NH3+])CN(C)C(=O)[C@@H]([NH3+])C1CCCCCC1 ZINC001342338304 979774138 /nfs/dbraw/zinc/77/41/38/979774138.db2.gz SQRCISACSPTSHT-JQWIXIFHSA-N 2 0 241.379 1.090 20 0 BDADRP [NH3+][C@H](CC1CC1)C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001342397884 979793286 /nfs/dbraw/zinc/79/32/86/979793286.db2.gz MFQQFGSMLQBAPL-GFCCVEGCSA-N 2 0 245.326 1.356 20 0 BDADRP C[NH+](C)CCCN1CCC2(CC[N@H+](C)C2)CC1 ZINC001278048654 979816175 /nfs/dbraw/zinc/81/61/75/979816175.db2.gz QNTHBWVXRSTUBG-UHFFFAOYSA-N 2 0 239.407 1.356 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCC[C@@H]1c1ncccn1 ZINC001237187793 979835224 /nfs/dbraw/zinc/83/52/24/979835224.db2.gz KURCIPXUNBBLAW-LLVKDONJSA-N 2 0 220.320 1.352 20 0 BDADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001342957706 979956213 /nfs/dbraw/zinc/95/62/13/979956213.db2.gz BOCWJSBFDDEEGM-TUAOUCFPSA-N 2 0 241.379 1.008 20 0 BDADRP Cn1c(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)cccc1=O ZINC001205296159 980062080 /nfs/dbraw/zinc/06/20/80/980062080.db2.gz IFGBMMCSIMMPQH-CQSZACIVSA-N 2 0 249.358 1.089 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)N[C@H](C)CC[NH+](C)C ZINC001343408295 980095598 /nfs/dbraw/zinc/09/55/98/980095598.db2.gz WZEBPABGJOKQRX-NEPJUHHUSA-N 2 0 243.395 1.206 20 0 BDADRP C[NH+](C)CCCc1cnn(CCC[NH+](C)C)c1 ZINC001250160898 980120310 /nfs/dbraw/zinc/12/03/10/980120310.db2.gz HQSNOVJNQHXUMU-UHFFFAOYSA-N 2 0 238.379 1.329 20 0 BDADRP CC(C)(C)[C@@H]([NH3+])CC(=O)N[C@H]1CC[NH2+]C1(C)C ZINC001343528268 980140883 /nfs/dbraw/zinc/14/08/83/980140883.db2.gz ZHDDUCQMCWLUNO-UWVGGRQHSA-N 2 0 241.379 1.007 20 0 BDADRP C[NH+]1CCN(Cc2cccc3c[nH+]cn32)CC1 ZINC001238104092 980152734 /nfs/dbraw/zinc/15/27/34/980152734.db2.gz SPIHWHHEOGSHNX-UHFFFAOYSA-N 2 0 230.315 1.082 20 0 BDADRP OC1CC2(C1)CN(Cc1cccc3c[nH+]cn31)C2 ZINC001238104781 980156810 /nfs/dbraw/zinc/15/68/10/980156810.db2.gz ZLSKWYNORUIIED-UHFFFAOYSA-N 2 0 243.310 1.291 20 0 BDADRP CC(C)CCOC(=O)NCCC[NH2+]CCC[NH3+] ZINC001239325545 980532254 /nfs/dbraw/zinc/53/22/54/980532254.db2.gz VFZNTTFSGRJQMG-UHFFFAOYSA-N 2 0 245.367 1.087 20 0 BDADRP CC(C)(C)[C@H]([NH3+])C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001345535728 980626447 /nfs/dbraw/zinc/62/64/47/980626447.db2.gz IKGRBRWHPOLPGR-GHMZBOCLSA-N 2 0 241.379 1.008 20 0 BDADRP CN1CCC([N@H+](C)Cc2ccc(CO)cc2)CC1 ZINC000084896440 980758941 /nfs/dbraw/zinc/75/89/41/980758941.db2.gz YVXIMSXKVUVTIZ-UHFFFAOYSA-N 2 0 248.370 1.705 20 0 BDADRP CC(C)CC[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+](C)C1 ZINC001346190622 980779340 /nfs/dbraw/zinc/77/93/40/980779340.db2.gz HZJFYOWZRCFOGG-QWHCGFSZSA-N 2 0 228.380 1.325 20 0 BDADRP Cc1cccc([C@H](O)C[NH2+]C[C@@H]2CC[N@@H+](C)C2)c1 ZINC001346192555 980779658 /nfs/dbraw/zinc/77/96/58/980779658.db2.gz WCOQLLBKGXNOIA-DZGCQCFKSA-N 2 0 248.370 1.570 20 0 BDADRP O[C@H](C[NH2+][C@@H]1C[C@H]1C1CCC1)C[NH+]1CCCC1 ZINC001346352769 980816718 /nfs/dbraw/zinc/81/67/18/980816718.db2.gz JHUNFLLDOXDPCB-HZSPNIEDSA-N 2 0 238.375 1.221 20 0 BDADRP C[NH+](C)Cc1ccnc(-c2cncc(C[NH3+])c2)c1 ZINC001239790213 980928675 /nfs/dbraw/zinc/92/86/75/980928675.db2.gz DFLFUJFKCCHVJM-UHFFFAOYSA-N 2 0 242.326 1.664 20 0 BDADRP Cc1nc(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)co1 ZINC001205545205 980938901 /nfs/dbraw/zinc/93/89/01/980938901.db2.gz AMASYZDLXIVWDI-GFCCVEGCSA-N 2 0 241.310 1.636 20 0 BDADRP C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205545620 980948751 /nfs/dbraw/zinc/94/87/51/980948751.db2.gz KRVOOFPWKOHQPQ-IJLUTSLNSA-N 2 0 214.328 1.795 20 0 BDADRP C[C@@H]1CCN(C[C@H]2CCCC[NH2+]2)CC[C@@H]1C[NH3+] ZINC001205601382 981161214 /nfs/dbraw/zinc/16/12/14/981161214.db2.gz DYVTXRILUUPASZ-MGPQQGTHSA-N 2 0 239.407 1.435 20 0 BDADRP C[C@H]1CC[N@H+](Cc2cccn2C)CC[C@H]1C[NH3+] ZINC001205602771 981170593 /nfs/dbraw/zinc/17/05/93/981170593.db2.gz MGDFALCOMFPJEW-STQMWFEESA-N 2 0 235.375 1.832 20 0 BDADRP C[C@H]1CC[N@H+](Cc2ccncc2)CC[C@@H]1C[NH3+] ZINC001205604780 981181267 /nfs/dbraw/zinc/18/12/67/981181267.db2.gz WYHHFJJMHMZYPY-GXTWGEPZSA-N 2 0 233.359 1.888 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2ccnc(N)c2)CC[C@H]1C[NH3+] ZINC001205626912 981276339 /nfs/dbraw/zinc/27/63/39/981276339.db2.gz KPEDGWSZHOOQLE-YPMHNXCESA-N 2 0 248.374 1.471 20 0 BDADRP CC(C)(C)[NH2+]CCN1CC[C@@H]2OCCC[C@@H]2C1 ZINC001348511808 981377818 /nfs/dbraw/zinc/37/78/18/981377818.db2.gz WLHHTQYWRLXRME-OLZOCXBDSA-N 2 0 240.391 1.875 20 0 BDADRP [NH3+]Cc1cc(-c2ccc3c(c2)CC[NH2+]C3)ccn1 ZINC001240456265 981392708 /nfs/dbraw/zinc/39/27/08/981392708.db2.gz GIIWHOLXYZNRNG-UHFFFAOYSA-N 2 0 239.322 1.853 20 0 BDADRP Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001348854950 981464093 /nfs/dbraw/zinc/46/40/93/981464093.db2.gz FGKWRDJMBUYIEC-LJISPDSOSA-N 2 0 228.339 1.790 20 0 BDADRP CCC[C@H](C)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC001349114333 981509959 /nfs/dbraw/zinc/50/99/59/981509959.db2.gz STCWGMXQMYSXID-ZDUSSCGKSA-N 2 0 240.391 1.972 20 0 BDADRP O[C@]1(C[N@@H+]2CC[C@H](C3CCC3)C2)CCC[NH2+]C1 ZINC001580878605 981678375 /nfs/dbraw/zinc/67/83/75/981678375.db2.gz SKYPZAFUDLXMEA-UONOGXRCSA-N 2 0 238.375 1.223 20 0 BDADRP OC[C@H]1CCCC[N@@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC001580882250 981681529 /nfs/dbraw/zinc/68/15/29/981681529.db2.gz PSCMJTHVVYCIDQ-CHWSQXEVSA-N 2 0 226.364 1.223 20 0 BDADRP OC[C@]12CCC[C@H]1C[N@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC001580884427 981694674 /nfs/dbraw/zinc/69/46/74/981694674.db2.gz APTQRLMTZAMQEJ-MELADBBJSA-N 2 0 238.375 1.080 20 0 BDADRP CCC(CC)C[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205664109 981808767 /nfs/dbraw/zinc/80/87/67/981808767.db2.gz LTJGNSVUNLSBGY-CYBMUJFWSA-N 2 0 228.380 1.598 20 0 BDADRP CC[C@@H](NC)c1nc([C@H](N)c2ccccc2)no1 ZINC001350000165 981839486 /nfs/dbraw/zinc/83/94/86/981839486.db2.gz BBJWCYYQXJMZEJ-GHMZBOCLSA-N 2 0 246.314 1.788 20 0 BDADRP CN(C)c1cc[nH+]c(C=C2CC[NH2+]CC2)c1 ZINC001240873913 981914200 /nfs/dbraw/zinc/91/42/00/981914200.db2.gz LFOGMOVITUQMEL-UHFFFAOYSA-N 2 0 217.316 1.914 20 0 BDADRP C[C@H]1CC[C@@H](C[NH3+])N(Cc2c[nH+]ccc2N)C1 ZINC001205815568 982617230 /nfs/dbraw/zinc/61/72/30/982617230.db2.gz HNLAOBSGJYCCGX-JQWIXIFHSA-N 2 0 234.347 1.053 20 0 BDADRP C[NH+](C)Cc1cncc(C2=CCC[N@H+](C)C2)c1 ZINC001241570851 982824487 /nfs/dbraw/zinc/82/44/87/982824487.db2.gz PITZVSWVNYWCAY-UHFFFAOYSA-N 2 0 231.343 1.862 20 0 BDADRP [NH3+]CCc1ccccc1-c1cnn(C2C[NH2+]C2)c1 ZINC001241611668 982848894 /nfs/dbraw/zinc/84/88/94/982848894.db2.gz BUSSGRMADXZQEP-UHFFFAOYSA-N 2 0 242.326 1.196 20 0 BDADRP C[NH2+]C1CC(C(=O)Nc2ccnc(N(C)C)c2)C1 ZINC001353569770 982893725 /nfs/dbraw/zinc/89/37/25/982893725.db2.gz HNMKURAVJDGIQP-UHFFFAOYSA-N 2 0 248.330 1.084 20 0 BDADRP COC1(C[NH2+]CC[C@H](C)[NH+](C)C)CCC1 ZINC001353593203 982902598 /nfs/dbraw/zinc/90/25/98/982902598.db2.gz LEDHHYQVVKUZIN-NSHDSACASA-N 2 0 214.353 1.485 20 0 BDADRP C[C@@H]1CCN(CC(C)(C)C[NH+](C)C)C[C@@H]1[NH3+] ZINC001205863222 982914167 /nfs/dbraw/zinc/91/41/67/982914167.db2.gz KQCISRVPFCAOKT-NEPJUHHUSA-N 2 0 227.396 1.243 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CCCOC2)CC[C@@H]1C[NH3+] ZINC000690529668 983012360 /nfs/dbraw/zinc/01/23/60/983012360.db2.gz NYZNYWVRDFHDIR-JHJVBQTASA-N 2 0 226.364 1.330 20 0 BDADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cn[nH]c1)CC2 ZINC000691757999 983106222 /nfs/dbraw/zinc/10/62/22/983106222.db2.gz CESLTSJBRQKEHP-UHFFFAOYSA-N 2 0 248.374 1.718 20 0 BDADRP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1CC1(F)CC[NH2+]CC1 ZINC001205902700 983117175 /nfs/dbraw/zinc/11/71/75/983117175.db2.gz KYFRXCCTCJIIJR-VXGBXAGGSA-N 3 0 243.370 1.137 20 0 BDADRP [NH3+]Cc1ccc(-c2ncnc3c2C[NH2+]C3)cc1 ZINC001241911919 983127395 /nfs/dbraw/zinc/12/73/95/983127395.db2.gz UGTSPWPCTBAWAZ-UHFFFAOYSA-N 2 0 226.283 1.206 20 0 BDADRP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cccc(C[NH3+])c1 ZINC001205916196 983186609 /nfs/dbraw/zinc/18/66/09/983186609.db2.gz SRAYNWBVCYMSAX-IUODEOHRSA-N 3 0 247.386 1.705 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC001354232812 983214958 /nfs/dbraw/zinc/21/49/58/983214958.db2.gz BZLPDUDJJCPXHK-CYDGBPFRSA-N 2 0 237.391 1.363 20 0 BDADRP CN(CCCCCC[NH3+])C(=O)CC(C)(C)C[NH3+] ZINC001354579832 983324107 /nfs/dbraw/zinc/32/41/07/983324107.db2.gz DAYGDDJZVOSQOX-UHFFFAOYSA-N 2 0 243.395 1.339 20 0 BDADRP CSCCC[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001201680426 983391950 /nfs/dbraw/zinc/39/19/50/983391950.db2.gz HUCVSVYPSFVLGZ-NEPJUHHUSA-N 2 0 228.405 1.623 20 0 BDADRP CC(C)([NH3+])CC(=O)Nc1ccccc1C[NH3+] ZINC001355717985 983534682 /nfs/dbraw/zinc/53/46/82/983534682.db2.gz BKOSUADXOWBXLM-UHFFFAOYSA-N 2 0 221.304 1.211 20 0 BDADRP C[C@H](CC[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1)CC(C)(C)C ZINC001205947033 983672795 /nfs/dbraw/zinc/67/27/95/983672795.db2.gz VIFHVUBXXWDKEQ-JHJVBQTASA-N 2 0 242.407 1.843 20 0 BDADRP CC(C)C[C@H]([NH3+])C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001358059584 983821286 /nfs/dbraw/zinc/82/12/86/983821286.db2.gz JRGCIQYXLPZCFX-LBPRGKRZSA-N 2 0 247.342 1.602 20 0 BDADRP C[C@@]1(C(=O)Nc2cccc3c2C[NH2+]C3)CCC[NH2+]1 ZINC001358059417 983821407 /nfs/dbraw/zinc/82/14/07/983821407.db2.gz CSCZJXCETRWKTF-AWEZNQCLSA-N 2 0 245.326 1.370 20 0 BDADRP CCC[C@@H](O)C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001252778973 983882182 /nfs/dbraw/zinc/88/21/82/983882182.db2.gz GLIUSNWWGOXYPE-FRRDWIJNSA-N 2 0 226.364 1.031 20 0 BDADRP [NH3+]Cc1ncc(-c2ccc3c(c2)C[NH2+]C3)cn1 ZINC001242675014 984043218 /nfs/dbraw/zinc/04/32/18/984043218.db2.gz AKQMWWPVAISRQT-UHFFFAOYSA-N 2 0 226.283 1.206 20 0 BDADRP CNC(=O)[C@H]1CCCC[N@@H+]1CCCCCC[NH3+] ZINC000379965981 984063460 /nfs/dbraw/zinc/06/34/60/984063460.db2.gz LSCYYYLZABMHNR-GFCCVEGCSA-N 2 0 241.379 1.106 20 0 BDADRP C[C@@H](Cc1ccsc1)[N@H+](C)C[C@H](O)CC[NH3+] ZINC001576064989 984148135 /nfs/dbraw/zinc/14/81/35/984148135.db2.gz ABIWLTZTADTGCW-CMPLNLGQSA-N 2 0 242.388 1.321 20 0 BDADRP C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccc2c[nH+]cn2c1 ZINC001576097082 984149784 /nfs/dbraw/zinc/14/97/84/984149784.db2.gz SITLBBXEVZTOFM-DTWKUNHWSA-N 2 0 232.287 1.256 20 0 BDADRP C[C@@H](O)C[C@H]1CCCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC001576273304 984166468 /nfs/dbraw/zinc/16/64/68/984166468.db2.gz UFZOJLQEOBDFLQ-YIYPIFLZSA-N 2 0 240.391 1.467 20 0 BDADRP CCC(CC)(C[NH3+])C[NH2+]CCc1nc(C)n[nH]1 ZINC001577052590 984186073 /nfs/dbraw/zinc/18/60/73/984186073.db2.gz YMEQKPPRMPTNMV-UHFFFAOYSA-N 2 0 239.367 1.010 20 0 BDADRP CCC[C@@H]1CCCC[C@H]1[NH2+]CCOCC[NH3+] ZINC001577377753 984195812 /nfs/dbraw/zinc/19/58/12/984195812.db2.gz VNPKLRAQCWSVDL-CHWSQXEVSA-N 2 0 228.380 1.910 20 0 BDADRP CCOC(=O)[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001577908253 984202348 /nfs/dbraw/zinc/20/23/48/984202348.db2.gz DTTXFFXSSREBTE-GRYCIOLGSA-N 2 0 242.363 1.163 20 0 BDADRP C[NH2+]C[C@H](O)C[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC001578654388 984220570 /nfs/dbraw/zinc/22/05/70/984220570.db2.gz OJNVNLDFPCWKMB-GJZGRUSLSA-N 2 0 248.370 1.794 20 0 BDADRP Cc1nocc1C[NH2+]CC[C@H]1CCC[NH2+]CC1 ZINC001579923909 984347681 /nfs/dbraw/zinc/34/76/81/984347681.db2.gz SVLJEADBMYBLGA-LBPRGKRZSA-N 2 0 237.347 1.852 20 0 BDADRP C[NH2+]Cc1ccc(-c2cccc(C[NH3+])n2)cc1 ZINC001242991126 984352529 /nfs/dbraw/zinc/35/25/29/984352529.db2.gz YNSSNMGOVGAWIU-UHFFFAOYSA-N 2 0 227.311 1.927 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+][C@@H](CO)Cc1ccccc1)C2 ZINC001580163456 984399106 /nfs/dbraw/zinc/39/91/06/984399106.db2.gz BGQDGWNDAJSXIL-FEWQNLEASA-N 2 0 246.354 1.059 20 0 BDADRP C[N@@H+]1CCC2(C1)CC[NH+](C[C@@H]1CCOC1)CC2 ZINC001275168773 984514764 /nfs/dbraw/zinc/51/47/64/984514764.db2.gz NBVPQZNWLNHEON-ZDUSSCGKSA-N 2 0 238.375 1.441 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@H]1C[C@H]([NH3+])C1(C)C ZINC001577697726 984636885 /nfs/dbraw/zinc/63/68/85/984636885.db2.gz RNXBSDDNTQGPKW-WOPDTQHZSA-N 2 0 227.396 1.432 20 0 BDADRP CC[NH+](CC)CC[C@H](C)NC[C@@]12C[C@@H]1C[NH2+]C2 ZINC001577687651 984638088 /nfs/dbraw/zinc/63/80/88/984638088.db2.gz NYMSABVIEKAYGQ-MJBXVCDLSA-N 2 0 239.407 1.306 20 0 BDADRP CC[NH+](CC)[C@H](C)CNCC12CC(C1)C[NH2+]2 ZINC001577697944 984639004 /nfs/dbraw/zinc/63/90/04/984639004.db2.gz YBAURFVCXVADRM-PNESKVBLSA-N 2 0 225.380 1.058 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC001577763604 984720466 /nfs/dbraw/zinc/72/04/66/984720466.db2.gz FWDRMSUWCIXVOC-HZSPNIEDSA-N 3 0 237.391 1.201 20 0 BDADRP CCOC(=O)[C@H](C)[C@@H](C)[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001577908785 984814625 /nfs/dbraw/zinc/81/46/25/984814625.db2.gz SUSBRVFAAXJNLL-IWDGCSLGSA-N 2 0 240.347 1.044 20 0 BDADRP CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]C1CC([NH3+])C1 ZINC001577925975 984822077 /nfs/dbraw/zinc/82/20/77/984822077.db2.gz PEQQCNKMYAECRC-KMFOADKKSA-N 2 0 240.347 1.188 20 0 BDADRP CCOC(=O)CC[N@H+](CCC[NH2+]C)C(C)C ZINC001577949050 984829747 /nfs/dbraw/zinc/82/97/47/984829747.db2.gz VUQHOODZCXJFGO-UHFFFAOYSA-N 2 0 230.352 1.260 20 0 BDADRP [NH3+]Cc1ccn([C@H]2CCC[N@@H+](C3CCCC3)C2)n1 ZINC001256899020 984845881 /nfs/dbraw/zinc/84/58/81/984845881.db2.gz QTDJEXMJHNEMAU-AWEZNQCLSA-N 2 0 248.374 1.921 20 0 BDADRP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CCC[NH+](C)C)C1 ZINC001257024792 984847770 /nfs/dbraw/zinc/84/77/70/984847770.db2.gz PGNHNFSSNLIHPV-NWDGAFQWSA-N 2 0 242.363 1.260 20 0 BDADRP CCOCC(C)(C)[NH2+]C[C@H]([NH3+])CC(F)F ZINC001578101933 984852264 /nfs/dbraw/zinc/85/22/64/984852264.db2.gz AYDFQPGURLNEST-MRVPVSSYSA-N 2 0 224.295 1.374 20 0 BDADRP CCO[C@@H]1CCC[C@H]1[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC001578151531 984854090 /nfs/dbraw/zinc/85/40/90/984854090.db2.gz QFPOPQBXKIACKA-UPJWGTAASA-N 2 0 226.364 1.533 20 0 BDADRP CC[C@@H]1OCC[C@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001578229201 984879073 /nfs/dbraw/zinc/87/90/73/984879073.db2.gz XKTROCVSYPBLLV-UTUOFQBUSA-N 2 0 212.337 1.143 20 0 BDADRP CC[C@@H]1OCC[C@H]1[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001578228560 984879432 /nfs/dbraw/zinc/87/94/32/984879432.db2.gz BNSJZZUUGHJQSX-QNHXCVIDSA-N 2 0 210.321 1.023 20 0 BDADRP CCc1ccc([C@@H](C)[NH2+]CCOCC[NH3+])cc1 ZINC001578263383 984909600 /nfs/dbraw/zinc/90/96/00/984909600.db2.gz CMGGLBUVRWBONF-GFCCVEGCSA-N 2 0 236.359 1.875 20 0 BDADRP CCc1cn(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)cn1 ZINC001578283096 984926751 /nfs/dbraw/zinc/92/67/51/984926751.db2.gz YTWFNEHROATBQW-QWHCGFSZSA-N 2 0 235.331 1.214 20 0 BDADRP C[N@H+](C[C@@H]1CC1(C)C)C[C@]1(O)CCC[NH2+]C1 ZINC001578448134 985085117 /nfs/dbraw/zinc/08/51/17/985085117.db2.gz LHKIYMSHLXBTJH-AAEUAGOBSA-N 2 0 226.364 1.079 20 0 BDADRP C[N@H+](CCCC(C)(C)C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578463307 985096928 /nfs/dbraw/zinc/09/69/28/985096928.db2.gz BLJRXPZSVHNIFJ-GDNZZTSVSA-N 2 0 210.365 1.962 20 0 BDADRP C[N@H+](CCCCCO)CCCC1CC[NH2+]CC1 ZINC001578465894 985099175 /nfs/dbraw/zinc/09/91/75/985099175.db2.gz UIZNATZTXJNKMK-UHFFFAOYSA-N 2 0 242.407 1.861 20 0 BDADRP C[NH+]1CCC2(C[NH+](CC3CCC3)C2)CC1 ZINC001202776586 985101666 /nfs/dbraw/zinc/10/16/66/985101666.db2.gz WYHYDPMIQBIJFO-UHFFFAOYSA-N 2 0 208.349 1.814 20 0 BDADRP C[N@H+](C[C@H]1CC[C@@H]([NH3+])C1)[C@@H]1CCCC[C@H]1O ZINC001578485731 985117494 /nfs/dbraw/zinc/11/74/94/985117494.db2.gz DIXSCZIZNGPXCO-UMSGYPCISA-N 2 0 226.364 1.349 20 0 BDADRP CN1CCC[C@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC001578529426 985159397 /nfs/dbraw/zinc/15/93/97/985159397.db2.gz UUPUDWXIZNSHAS-OLZOCXBDSA-N 2 0 237.391 1.345 20 0 BDADRP COC(CC[NH+]1CCC(C[NH+](C)C)CC1)OC ZINC000686618116 985161035 /nfs/dbraw/zinc/16/10/35/985161035.db2.gz YWPYAFJGXDNQMY-UHFFFAOYSA-N 2 0 244.379 1.269 20 0 BDADRP COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC001578832997 985407095 /nfs/dbraw/zinc/40/70/95/985407095.db2.gz UJLWCNGAPOZSMQ-QCNOEVLYSA-N 2 0 240.347 1.188 20 0 BDADRP COC(=O)c1cccc(C[NH2+][C@H]2C[C@@H]([NH3+])C2)c1 ZINC001578874473 985440874 /nfs/dbraw/zinc/44/08/74/985440874.db2.gz CHAUHKIHSPNDPV-TXEJJXNPSA-N 2 0 234.299 1.053 20 0 BDADRP CO[C@@H](C)[C@H](C)[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578897865 985477585 /nfs/dbraw/zinc/47/75/85/985477585.db2.gz ZJGGLTHFISDTGE-XWLWVQCSSA-N 2 0 200.326 1.127 20 0 BDADRP CO[C@@H](C)C[NH2+]C[C@@H]1CCC[NH2+]CC1 ZINC001578900951 985481985 /nfs/dbraw/zinc/48/19/85/985481985.db2.gz IILDMFDIZURFMQ-WDEREUQCSA-N 2 0 200.326 1.001 20 0 BDADRP COC(=O)[C@@H](C[NH3+])C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC001258152810 985491633 /nfs/dbraw/zinc/49/16/33/985491633.db2.gz CBTDVBSOFSICNH-WHOHXGKFSA-N 2 0 242.363 1.149 20 0 BDADRP CO[C@H](C[N@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCCC1 ZINC001578901959 985493338 /nfs/dbraw/zinc/49/33/38/985493338.db2.gz WYOPFUMGJSZULZ-RQJABVFESA-N 2 0 238.375 1.341 20 0 BDADRP CO[C@H](C[NH2+][C@H]1C[C@H]([NH3+])C1)C1CCCC1 ZINC001578913309 985495171 /nfs/dbraw/zinc/49/51/71/985495171.db2.gz UXCSBWSYVIVJTR-IJLUTSLNSA-N 2 0 212.337 1.271 20 0 BDADRP C[N@H+](Cc1cc2c(s1)CC[NH2+]C2)C1CC1 ZINC000688033205 985500287 /nfs/dbraw/zinc/50/02/87/985500287.db2.gz OJFYGBLUPFLSLY-UHFFFAOYSA-N 2 0 222.357 1.988 20 0 BDADRP COC1([C@@H](C)[NH2+]C2CC3(C[C@H]3[NH3+])C2)CCC1 ZINC001578924877 985522698 /nfs/dbraw/zinc/52/26/98/985522698.db2.gz UDMXOZLPIQHBCN-QTAHKJALSA-N 2 0 224.348 1.413 20 0 BDADRP COC1(CC[NH2+]C2CC3(C[C@@H]3[NH3+])C2)CCC1 ZINC001578926962 985526623 /nfs/dbraw/zinc/52/66/23/985526623.db2.gz ROCPUKYMRSCDLK-CXQJBGSLSA-N 2 0 224.348 1.415 20 0 BDADRP C[C@H](C[NH2+][C@@H]1COC[C@H]1C)C[NH+]1CCCC1 ZINC000688048777 985529703 /nfs/dbraw/zinc/52/97/03/985529703.db2.gz OSCARCIJPOCHAH-JHJVBQTASA-N 2 0 226.364 1.343 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@@H]2COC[C@H]2C)CC1 ZINC000688051487 985535260 /nfs/dbraw/zinc/53/52/60/985535260.db2.gz ZJXKJOBACATZIS-DGCLKSJQSA-N 2 0 226.364 1.484 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H]2COC[C@@H]2C)CC1 ZINC000688048754 985535844 /nfs/dbraw/zinc/53/58/44/985535844.db2.gz OOEAZZHIVGTTCC-AAEUAGOBSA-N 2 0 226.364 1.485 20 0 BDADRP COC1CC(CC[NH2+]C[C@@H](C[NH3+])C(C)C)C1 ZINC001578932116 985537805 /nfs/dbraw/zinc/53/78/05/985537805.db2.gz JAAXRAKFLSEALD-OTTFEQOBSA-N 2 0 228.380 1.622 20 0 BDADRP CO[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3C[NH2+]C[C@@]3(C)C2)C1 ZINC001578937115 985545441 /nfs/dbraw/zinc/54/54/41/985545441.db2.gz GTDZWKICPIPCGZ-LPWJVIDDSA-N 2 0 224.348 1.095 20 0 BDADRP CO[C@H]1CC[C@H]([N@H+](C)CC2CC[NH2+]CC2)C1 ZINC001578938357 985556726 /nfs/dbraw/zinc/55/67/26/985556726.db2.gz RESUUCMNBNTQLM-STQMWFEESA-N 2 0 226.364 1.485 20 0 BDADRP Cc1c[nH+]c(C=CC2CC[NH2+]CC2)cc1N ZINC001243894551 985572925 /nfs/dbraw/zinc/57/29/25/985572925.db2.gz KAMAFBZGWQDDFG-NSCUHMNNSA-N 2 0 217.316 1.815 20 0 BDADRP COC[C@@H](CC(C)C)[NH2+][C@@H](C)CC[NH3+] ZINC001578961291 985585115 /nfs/dbraw/zinc/58/51/15/985585115.db2.gz XFCXTOZDOAJQID-WDEREUQCSA-N 2 0 202.342 1.374 20 0 BDADRP COCC[C@@H](C)[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC001578995726 985625838 /nfs/dbraw/zinc/62/58/38/985625838.db2.gz VCASEOWEYGPSNB-UTUOFQBUSA-N 2 0 212.337 1.286 20 0 BDADRP COCC[C@@H]([NH3+])C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001579002949 985664054 /nfs/dbraw/zinc/66/40/54/985664054.db2.gz VVCZCEVWDHEQBU-WISYIIOYSA-N 2 0 212.337 1.128 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001579114317 985746989 /nfs/dbraw/zinc/74/69/89/985746989.db2.gz LKVBHSITAWYRCC-GJIXENTOSA-N 2 0 210.321 1.023 20 0 BDADRP CO[C@H]1c2ccccc2C[C@H]1[NH2+]C1CC([NH3+])C1 ZINC001579133495 985810829 /nfs/dbraw/zinc/81/08/29/985810829.db2.gz RIVMSNADXBULNW-QUINOFQRSA-N 2 0 232.327 1.378 20 0 BDADRP COc1cc(CC[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)ccn1 ZINC001579148465 985812395 /nfs/dbraw/zinc/81/23/95/985812395.db2.gz BYSBCCNZOTZFGC-NWDGAFQWSA-N 2 0 249.358 1.348 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@H](C)CCC(=O)OC ZINC001258344748 985818045 /nfs/dbraw/zinc/81/80/45/985818045.db2.gz BOVSIGJDVBIDNI-LBPRGKRZSA-N 2 0 244.379 1.650 20 0 BDADRP COC(=O)CC[C@@H](C)[N@H+](C)C1CCC([NH3+])CC1 ZINC001258356175 985835856 /nfs/dbraw/zinc/83/58/56/985835856.db2.gz RNCYLVMUQOVECH-VOMCLLRMSA-N 2 0 242.363 1.530 20 0 BDADRP C[S@](=O)[C@@H]1CC[C@@H]([NH2+]CC2(C[NH3+])CCC2)C1 ZINC001579354432 985854435 /nfs/dbraw/zinc/85/44/35/985854435.db2.gz CUTIPKHRAKSCFM-UVWXRNBGSA-N 2 0 244.404 1.005 20 0 BDADRP C[C@@H]1CC=CC[C@H]1[NH2+]C[C@]1(O)CCC[NH2+]C1 ZINC001579420706 985905190 /nfs/dbraw/zinc/90/51/90/985905190.db2.gz WHTVDBOFWCZUIS-UPJWGTAASA-N 2 0 224.348 1.045 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H](CCO)CC1 ZINC001579454495 985941490 /nfs/dbraw/zinc/94/14/90/985941490.db2.gz GZZALRYXZALEPU-MCIONIFRSA-N 2 0 240.391 1.326 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1COC(C)(C)C1 ZINC001579454076 985943332 /nfs/dbraw/zinc/94/33/32/985943332.db2.gz XDKQDEIXKUPPKT-IJLUTSLNSA-N 2 0 226.364 1.389 20 0 BDADRP CCOC(=O)CC[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC001258488712 985951304 /nfs/dbraw/zinc/95/13/04/985951304.db2.gz XYGJNXHCZIBNTC-OUAUKWLOSA-N 2 0 228.336 1.188 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1(CO)CCCCC1 ZINC001579459478 985954299 /nfs/dbraw/zinc/95/42/99/985954299.db2.gz CMSVWCDJLIZADQ-NEPJUHHUSA-N 2 0 226.364 1.127 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CNCc1c[nH+]ccc1N(C)C ZINC001579460602 985955468 /nfs/dbraw/zinc/95/54/68/985955468.db2.gz AQLXBWSWVGSIMK-NEPJUHHUSA-N 2 0 248.374 1.093 20 0 BDADRP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]C[C@@]12C[C@@H]1C[NH2+]C2 ZINC001579470774 985976632 /nfs/dbraw/zinc/97/66/32/985976632.db2.gz DHGRRWQZLSJZJT-HKLHZYFVSA-N 2 0 206.333 1.230 20 0 BDADRP C[C@H]([NH2+]CCOCC[NH3+])c1cccs1 ZINC001579485790 986006814 /nfs/dbraw/zinc/00/68/14/986006814.db2.gz PRWLYDWTARMFNE-VIFPVBQESA-N 2 0 214.334 1.374 20 0 BDADRP Cc1n[nH]c(C[NH2+]C[C@@H]2CCC[NH2+]CC2)c1C ZINC001579514924 986068343 /nfs/dbraw/zinc/06/83/43/986068343.db2.gz ZNXLSWZQMDNZFK-GFCCVEGCSA-N 2 0 236.363 1.506 20 0 BDADRP Cc1c[nH]c(=O)c(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC001579544008 986074380 /nfs/dbraw/zinc/07/43/80/986074380.db2.gz OEIYVCWNJYBDEO-LLVKDONJSA-N 2 0 235.331 1.185 20 0 BDADRP C[C@H](O)C(C)(C)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC001461798293 986156858 /nfs/dbraw/zinc/15/68/58/986156858.db2.gz XASUOSBZGPVXPJ-NWDGAFQWSA-N 2 0 242.407 1.856 20 0 BDADRP Cc1ccc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)nn1 ZINC001579691644 986186641 /nfs/dbraw/zinc/18/66/41/986186641.db2.gz CZVDDEFXDPRTHJ-ZYHUDNBSSA-N 2 0 234.347 1.202 20 0 BDADRP Cc1cn(C)nc1C[NH2+]CC1(C)CC[NH2+]CC1 ZINC001579818154 986233850 /nfs/dbraw/zinc/23/38/50/986233850.db2.gz IMRKECYXUWHNMQ-UHFFFAOYSA-N 2 0 236.363 1.208 20 0 BDADRP CNc1ccccc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC001461944120 986238658 /nfs/dbraw/zinc/23/86/58/986238658.db2.gz WTIYUBXSBGBITJ-STQMWFEESA-N 2 0 231.343 1.380 20 0 BDADRP Cc1cn(C)nc1C[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC001579818300 986244064 /nfs/dbraw/zinc/24/40/64/986244064.db2.gz LAVFZXQHNVQXSJ-HAQNSBGRSA-N 2 0 236.363 1.336 20 0 BDADRP Cc1cnn(C)c1C[NH2+]C[C@@H]1CCC[NH2+]CC1 ZINC001579827061 986251963 /nfs/dbraw/zinc/25/19/63/986251963.db2.gz YQFCUJWDEVGFAK-GFCCVEGCSA-N 2 0 236.363 1.208 20 0 BDADRP Cc1nc(C[NH2+]C2CC3(CC([NH3+])C3)C2)[nH]c1C ZINC001579858482 986276425 /nfs/dbraw/zinc/27/64/25/986276425.db2.gz AGPFCLLQJJKWCS-UHFFFAOYSA-N 2 0 234.347 1.386 20 0 BDADRP Cc1ncc(C[NH2+]C[C@@H]2CCC[NH2+]CC2)s1 ZINC001579878147 986294156 /nfs/dbraw/zinc/29/41/56/986294156.db2.gz JWDBESUJVWEDIP-LLVKDONJSA-N 2 0 239.388 1.931 20 0 BDADRP Cc1ncc(CNC[C@]23CCC[C@H]2[NH2+]CC3)n1C ZINC001579878837 986295521 /nfs/dbraw/zinc/29/55/21/986295521.db2.gz ZBOWQPNDYIWVSX-ZIAGYGMSSA-N 2 0 248.374 1.350 20 0 BDADRP Cn1ccnc1C[NH2+]CC[C@@H]1CCC[NH2+]CC1 ZINC001579981416 986379605 /nfs/dbraw/zinc/37/96/05/986379605.db2.gz GLJNHGOWDFNCLJ-GFCCVEGCSA-N 2 0 236.363 1.290 20 0 BDADRP C[C@]1(C[NH3+])CCCC[N@H+](Cc2cccnc2N)C1 ZINC001206566208 986424320 /nfs/dbraw/zinc/42/43/20/986424320.db2.gz YIYFXVPLKHVDQG-CQSZACIVSA-N 2 0 248.374 1.615 20 0 BDADRP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cccc(N)n2)C1 ZINC001206566244 986425121 /nfs/dbraw/zinc/42/51/21/986425121.db2.gz ZARMVJYYFJQFEK-AWEZNQCLSA-N 2 0 248.374 1.615 20 0 BDADRP CC[NH+]1CCC(C[NH2+]C[C@H]2CCN2C)CC1 ZINC001462598864 986447106 /nfs/dbraw/zinc/44/71/06/986447106.db2.gz YWSZURNNBXCCBB-CYBMUJFWSA-N 2 0 225.380 1.012 20 0 BDADRP C[C@@H](O)[C@@H](C)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC001262491799 986560511 /nfs/dbraw/zinc/56/05/11/986560511.db2.gz PHPOVEZRVPYIJA-IWMBGFJWSA-N 2 0 240.391 1.752 20 0 BDADRP NC(=O)c1ccc(C[NH2+]C[C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC001580102314 986567362 /nfs/dbraw/zinc/56/73/62/986567362.db2.gz SIQOUEFUOJXZBS-WCQYABFASA-N 2 0 247.342 1.003 20 0 BDADRP [NH3+][C@@H](C(=O)Nc1ccc2c[nH+]cn2c1)C1CCC1 ZINC001580115644 986588155 /nfs/dbraw/zinc/58/81/55/986588155.db2.gz BQGPYPWQPDVVNY-GFCCVEGCSA-N 2 0 244.298 1.400 20 0 BDADRP C[NH+](C)CCC(C)(C)[NH2+][C@H]1CCCOC1 ZINC001254364868 986589916 /nfs/dbraw/zinc/58/99/16/986589916.db2.gz AYPKAYUISQZCMP-NSHDSACASA-N 2 0 214.353 1.485 20 0 BDADRP [NH3+]C1(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CCOCC1 ZINC001580152617 986623858 /nfs/dbraw/zinc/62/38/58/986623858.db2.gz NMMHSIMJQUFJGM-WOPDTQHZSA-N 2 0 224.348 1.273 20 0 BDADRP [NH3+]C1CC2(C1)CC([NH2+][C@H]1CCCOCC1)C2 ZINC001580165142 986634777 /nfs/dbraw/zinc/63/47/77/986634777.db2.gz FSCQUCFUZSUAFT-ZNOXQBFJSA-N 2 0 224.348 1.415 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+]Cc1ncccc1F)C2 ZINC001580165539 986635916 /nfs/dbraw/zinc/63/59/16/986635916.db2.gz MBESAIMSKHDZAP-BYIYDRLASA-N 2 0 221.279 1.190 20 0 BDADRP [NH3+][C@H]1CC12CC([NH2+]CC[C@H](O)C1CCCC1)C2 ZINC001580164818 986639075 /nfs/dbraw/zinc/63/90/75/986639075.db2.gz JWIUTWNQWPIQCH-QPPOZKHWSA-N 2 0 238.375 1.397 20 0 BDADRP [NH3+]C1CC2(C1)CC([NH2+]Cc1ccon1)C2 ZINC001580165616 986640077 /nfs/dbraw/zinc/64/00/77/986640077.db2.gz IVFNNUYJEJGBFD-UHFFFAOYSA-N 2 0 207.277 1.034 20 0 BDADRP [NH3+]C1CC([NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)C1 ZINC001580167055 986640589 /nfs/dbraw/zinc/64/05/89/986640589.db2.gz ZEEQUUUPBMSZHZ-TYUFSLCMSA-N 2 0 224.348 1.413 20 0 BDADRP [NH3+]C1CC2(C1)CC([NH2+][C@H]1CCn3ccnc31)C2 ZINC001580167007 986641523 /nfs/dbraw/zinc/64/15/23/986641523.db2.gz ZJWSMSKTIBCJHA-FOBZMYGMSA-N 2 0 232.331 1.187 20 0 BDADRP [NH3+][C@H]1CC12CC([NH2+][C@@H]1CCCSC1)C2 ZINC001580166992 986642882 /nfs/dbraw/zinc/64/28/82/986642882.db2.gz SCSFILGOKPNANE-VKAADOFISA-N 2 0 212.362 1.351 20 0 BDADRP C[C@@H]1CC[N@@H+]([C@H]2CCC[NH+](C)CC2)CC[C@@H]1O ZINC001254515913 986658353 /nfs/dbraw/zinc/65/83/53/986658353.db2.gz GKLQYANRTFLHIT-RDBSUJKOSA-N 2 0 240.391 1.564 20 0 BDADRP [NH3+]C[C@]12C[N@H+](CCc3cn[nH]c3)C[C@H]1CCCC2 ZINC001580256699 986707332 /nfs/dbraw/zinc/70/73/32/986707332.db2.gz WYMBXYUZQYLQHQ-ZIAGYGMSSA-N 2 0 248.374 1.403 20 0 BDADRP [NH3+]C[C@@]12C[N@H+](CC3(O)CCC3)C[C@@H]1CCCC2 ZINC001580256243 986709680 /nfs/dbraw/zinc/70/96/80/986709680.db2.gz RUBJXMIZFPVOGP-STQMWFEESA-N 2 0 238.375 1.352 20 0 BDADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]C[C@]23C[C@H]2CCC3)C1 ZINC001580258299 986716421 /nfs/dbraw/zinc/71/64/21/986716421.db2.gz MJETYLSNCGCCMX-LPWJVIDDSA-N 2 0 208.349 1.894 20 0 BDADRP [NH3+]C[C@@H]1CN(CC2CC3(CCC3)C2)CCO1 ZINC001580274746 986724626 /nfs/dbraw/zinc/72/46/26/986724626.db2.gz ORQAFOBAEXKEAP-GFCCVEGCSA-N 2 0 224.348 1.226 20 0 BDADRP [NH3+]CCC[N@@H+]1CCO[C@@H](c2ccccc2)CC1 ZINC001580298622 986737739 /nfs/dbraw/zinc/73/77/39/986737739.db2.gz RCYIENXWOUERSJ-CQSZACIVSA-N 2 0 234.343 1.799 20 0 BDADRP [NH3+]Cc1ccc(C[N@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)cc1 ZINC001580337442 986783041 /nfs/dbraw/zinc/78/30/41/986783041.db2.gz ZASLSSLMOSZPMF-QLFBSQMISA-N 2 0 246.354 1.348 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2C[C@@H](O)C23CCC3)C1 ZINC001580389527 986816563 /nfs/dbraw/zinc/81/65/63/986816563.db2.gz MXOHKJPSAFFGQU-IRCOFANPSA-N 2 0 224.348 1.007 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)C1 ZINC001580430451 986846827 /nfs/dbraw/zinc/84/68/27/986846827.db2.gz MOKDWOPEJYVHBV-NZEXEKPDSA-N 2 0 224.348 1.271 20 0 BDADRP C[C@@H](CCO)CC[NH2+]CC1CC[NH+](C)CC1 ZINC000397769034 986999252 /nfs/dbraw/zinc/99/92/52/986999252.db2.gz KOJQABJOIPSSFB-GFCCVEGCSA-N 2 0 228.380 1.326 20 0 BDADRP [NH3+]Cc1ccc(-c2ccc3c[nH+]cn3c2)cn1 ZINC001245896074 987107016 /nfs/dbraw/zinc/10/70/16/987107016.db2.gz ISEMTWLBEOVWSC-UHFFFAOYSA-N 2 0 224.267 1.855 20 0 BDADRP CCC[C@H](O)C[NH2+]C[C@@H]1CCC[NH2+][C@H]1C ZINC001245981545 987255241 /nfs/dbraw/zinc/25/52/41/987255241.db2.gz HZPXYOZOVRYYHB-SRVKXCTJSA-N 2 0 214.353 1.125 20 0 BDADRP CCCCC[C@H](O)C[NH2+]C[C@@H]1CCC[NH2+][C@H]1C ZINC001245983193 987260717 /nfs/dbraw/zinc/26/07/17/987260717.db2.gz NLLVJWKBGUJTOE-IHRRRGAJSA-N 2 0 242.407 1.905 20 0 BDADRP CC(C)[C@@H](O)C[NH2+][C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001245998067 987279395 /nfs/dbraw/zinc/27/93/95/987279395.db2.gz KOSKWHAYFHIRNQ-XQQFMLRXSA-N 2 0 226.364 1.397 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCC[C@H]2C(C)(C)O)CC1 ZINC000691642814 987288348 /nfs/dbraw/zinc/28/83/48/987288348.db2.gz IEIHZSFVEQDZTH-ZDUSSCGKSA-N 2 0 240.391 1.564 20 0 BDADRP CO[C@H](C)CC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693710350 987312645 /nfs/dbraw/zinc/31/26/45/987312645.db2.gz WAJYKJMAFGESQB-FVCCEPFGSA-N 2 0 240.391 1.778 20 0 BDADRP CC[C@@H](O)C[N@@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001246023144 987312995 /nfs/dbraw/zinc/31/29/95/987312995.db2.gz OIDYTLLMWZNTBR-QJPTWQEYSA-N 2 0 214.353 1.064 20 0 BDADRP CCCC[C@H](O)C[NH+]1CCC(F)(C[NH3+])CC1 ZINC001246021278 987312847 /nfs/dbraw/zinc/31/28/47/987312847.db2.gz FJFBWCZEQRAICT-NSHDSACASA-N 2 0 232.343 1.300 20 0 BDADRP CC(C)[C@@H](O)C[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246023305 987312855 /nfs/dbraw/zinc/31/28/55/987312855.db2.gz QXSWMMCTVBXFDD-RYUDHWBXSA-N 2 0 232.343 1.156 20 0 BDADRP CCCC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001246024434 987318513 /nfs/dbraw/zinc/31/85/13/987318513.db2.gz VRLLHPBILBQEMA-MCIONIFRSA-N 2 0 242.407 1.844 20 0 BDADRP CC[C@@H](O)C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246023972 987320282 /nfs/dbraw/zinc/32/02/82/987320282.db2.gz TUOLEYNNCUDOMO-NEPJUHHUSA-N 2 0 214.353 1.208 20 0 BDADRP CCCC[C@H](O)C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246028357 987323420 /nfs/dbraw/zinc/32/34/20/987323420.db2.gz BFWUWWBTXDDOIV-OLZOCXBDSA-N 2 0 228.380 1.598 20 0 BDADRP CC(C)[C@H](O)C[N@@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001246031476 987329136 /nfs/dbraw/zinc/32/91/36/987329136.db2.gz QBHWLCCBOCGZGW-FRRDWIJNSA-N 2 0 228.380 1.310 20 0 BDADRP CC(C)OC1CC([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC001473114902 987336679 /nfs/dbraw/zinc/33/66/79/987336679.db2.gz FUNCEOKKMRNJQG-MPEURRAXSA-N 2 0 224.348 1.094 20 0 BDADRP CC1(C)C[N@H+](C[C@H]2CCCC[NH2+]C2)CCCO1 ZINC000697090008 987350336 /nfs/dbraw/zinc/35/03/36/987350336.db2.gz WSSKPGOHEJNAHU-ZDUSSCGKSA-N 2 0 240.391 1.877 20 0 BDADRP C1[NH2+]CC12C[C@H]([NH2+]C1CCCCCC1)CCN2 ZINC001246065891 987354031 /nfs/dbraw/zinc/35/40/31/987354031.db2.gz OSTGZKYPLZZOPW-CYBMUJFWSA-N 2 0 237.391 1.393 20 0 BDADRP CC[N@@H+]1CCC[C@H]1CN[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246071720 987356413 /nfs/dbraw/zinc/35/64/13/987356413.db2.gz CDIPUQWLDSYVTF-UPJWGTAASA-N 2 0 225.380 1.201 20 0 BDADRP CC[N@@H+]1CCC[C@H]1CN[C@H]1CC[NH2+][C@H](C)C1 ZINC001246071717 987357368 /nfs/dbraw/zinc/35/73/68/987357368.db2.gz CDIPUQWLDSYVTF-AGIUHOORSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H]1CC(N[C@H]2CC[C@H](C)[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC001246075290 987363161 /nfs/dbraw/zinc/36/31/61/987363161.db2.gz DYXRLPZIVLLIBP-QCNOEVLYSA-N 2 0 225.380 1.246 20 0 BDADRP C[C@H](Cc1ccccn1)[NH2+]CC1([NH3+])CCCC1 ZINC001246075592 987363953 /nfs/dbraw/zinc/36/39/53/987363953.db2.gz LCNLASGXYHFIEK-GFCCVEGCSA-N 2 0 233.359 1.874 20 0 BDADRP C[NH2+]C1CCC([NH2+][C@H]2CC[C@H](C)NC2)CC1 ZINC001246075106 987364735 /nfs/dbraw/zinc/36/47/35/987364735.db2.gz DBHBDDOOEJAULQ-WTIISPKJSA-N 2 0 225.380 1.247 20 0 BDADRP C[NH2+]CC[C@@H](C)N[C@@H](C[NH3+])c1ccccc1 ZINC001246075966 987364773 /nfs/dbraw/zinc/36/47/73/987364773.db2.gz MHHRVKHSUDUDFB-YPMHNXCESA-N 2 0 221.348 1.274 20 0 BDADRP C[C@@H]1C[C@@H](N[C@H]2CC[C@H](C)[NH2+]C2)C[C@H](C)[NH2+]1 ZINC001246075292 987365001 /nfs/dbraw/zinc/36/50/01/987365001.db2.gz DYXRLPZIVLLIBP-WJTVCTBASA-N 2 0 225.380 1.246 20 0 BDADRP C[C@H](CC[NH2+][C@H]1CCCOCC1)[NH+](C)C ZINC000697888940 987365804 /nfs/dbraw/zinc/36/58/04/987365804.db2.gz JWDHPVPZROAJSC-NEPJUHHUSA-N 2 0 214.353 1.485 20 0 BDADRP C[C@@H](Cc1cccnc1)[NH2+]CC1([NH3+])CCCC1 ZINC001246077447 987369028 /nfs/dbraw/zinc/36/90/28/987369028.db2.gz WWJBQSWPMKJHFI-LBPRGKRZSA-N 2 0 233.359 1.874 20 0 BDADRP CC[C@@H]1C[C@@H](N[C@@H](C[NH3+])c2ccccc2)CC[NH2+]1 ZINC001246076394 987369666 /nfs/dbraw/zinc/36/96/66/987369666.db2.gz NQOFNBQCJHKAGR-ILXRZTDVSA-N 2 0 247.386 1.807 20 0 BDADRP C1C[C@@H]2C[C@H](NC3CC[NH2+]CC3)C[C@H](C1)[NH2+]2 ZINC001246080579 987375206 /nfs/dbraw/zinc/37/52/06/987375206.db2.gz ROBXJCMKSGBVOB-ITGUQSILSA-N 2 0 223.364 1.001 20 0 BDADRP Cc1nccn1CCC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000699638964 987376538 /nfs/dbraw/zinc/37/65/38/987376538.db2.gz HSLZWAQXKJZFRD-UONOGXRCSA-N 2 0 248.374 1.123 20 0 BDADRP [NH3+]CCCCCCCC[NH2+][C@@H]1CCCNC1 ZINC001246081048 987377064 /nfs/dbraw/zinc/37/70/64/987377064.db2.gz QVAOZXJFLDMZMI-CYBMUJFWSA-N 2 0 227.396 1.627 20 0 BDADRP C[C@H]1CC[C@H](N[C@H]2CC[NH2+]C3(CCC3)C2)C[NH2+]1 ZINC001246083803 987377700 /nfs/dbraw/zinc/37/77/00/987377700.db2.gz KEZTUEBEPNBQKE-AVGNSLFASA-N 2 0 237.391 1.391 20 0 BDADRP CC1(C)CC[C@H]([NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)C1 ZINC001246081864 987377981 /nfs/dbraw/zinc/37/79/81/987377981.db2.gz JPQBORGBUGSHEH-GMXVVIOVSA-N 2 0 244.354 1.217 20 0 BDADRP Clc1cc(CNC2CC[NH2+]CC2)ccn1 ZINC001246084208 987382942 /nfs/dbraw/zinc/38/29/42/987382942.db2.gz XQUURLFQTOJLBO-UHFFFAOYSA-N 2 0 225.723 1.577 20 0 BDADRP C[C@@H]1CC[C@@H](CN[C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)C[NH2+]1 ZINC001246086444 987385526 /nfs/dbraw/zinc/38/55/26/987385526.db2.gz AHRGTXPTCKMFOK-RKQHYHRCSA-N 2 0 239.407 1.493 20 0 BDADRP Cc1cc(C)n(CC[NH2+][C@H]2CC[NH2+][C@H](C)C2)n1 ZINC001246086224 987385945 /nfs/dbraw/zinc/38/59/45/987385945.db2.gz SNIBYIPIIDBIJY-MFKMUULPSA-N 2 0 236.363 1.230 20 0 BDADRP CCOC(=O)CC(C)(C)[NH2+]C1CC[NH2+]CC1 ZINC001246090006 987395183 /nfs/dbraw/zinc/39/51/83/987395183.db2.gz UQNVZWXQDUGMSY-UHFFFAOYSA-N 2 0 228.336 1.060 20 0 BDADRP C[C@@H]1CC(N[C@@H]2CCCC[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC001246092548 987396561 /nfs/dbraw/zinc/39/65/61/987396561.db2.gz SPQYWLACIKVQLN-IJLUTSLNSA-N 2 0 225.380 1.247 20 0 BDADRP F[C@@H]1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246093302 987402355 /nfs/dbraw/zinc/40/23/55/987402355.db2.gz RZGZYBGHFUFCBT-PNKOWGENSA-N 2 0 226.339 1.997 20 0 BDADRP CC1(C)C[C@@H]([NH2+][C@@H]2CCCC[NH2+]C2)CCO1 ZINC001246092625 987402922 /nfs/dbraw/zinc/40/29/22/987402922.db2.gz SZHSHRZGDHNBEH-NWDGAFQWSA-N 2 0 226.364 1.676 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C[NH2+]1 ZINC001246095047 987404973 /nfs/dbraw/zinc/40/49/73/987404973.db2.gz JFUYOVXHTGCNLJ-PEBLQZBPSA-N 2 0 240.391 1.920 20 0 BDADRP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H](O)C2)CC[NH2+]1 ZINC001246095746 987404978 /nfs/dbraw/zinc/40/49/78/987404978.db2.gz RNXMAAPKBCVGHC-WHOHXGKFSA-N 2 0 212.337 1.020 20 0 BDADRP C[C@H]1CC[C@H](CNC2C[C@@H]3C=C[C@H](C2)[NH2+]3)C[NH2+]1 ZINC001246097526 987410974 /nfs/dbraw/zinc/41/09/74/987410974.db2.gz ORNCNGANRGCPNX-CSHRUCKSSA-N 2 0 235.375 1.023 20 0 BDADRP CC(C)[C@@H]1C[C@H](N[C@H]2C[NH2+]CC[C@H]2C)CC[NH2+]1 ZINC001246098771 987412658 /nfs/dbraw/zinc/41/26/58/987412658.db2.gz SPTMQABKVNIHCT-MQYQWHSLSA-N 2 0 239.407 1.351 20 0 BDADRP C[C@H](Cc1cccnc1)[NH2+]C[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001246098953 987415775 /nfs/dbraw/zinc/41/57/75/987415775.db2.gz KWWMBYHBTIQQJL-GUTXKFCHSA-N 2 0 247.386 1.848 20 0 BDADRP CC(C)(C)[C@H]1C[C@@H](N[C@@]2(C)CC[NH2+]C2)CC[NH2+]1 ZINC001246099672 987420479 /nfs/dbraw/zinc/42/04/79/987420479.db2.gz YEXZTLWIWREOSL-SCRDCRAPSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[C@H]2F)CC[NH2+]1 ZINC001246101021 987423053 /nfs/dbraw/zinc/42/30/53/987423053.db2.gz YNGZDBQYGCWQOJ-NOOOWODRSA-N 2 0 214.328 1.855 20 0 BDADRP CC[C@@H]1C[C@H](NC[C@@H]2CC[C@H](C)[NH2+]C2)CC[NH2+]1 ZINC001246102764 987430739 /nfs/dbraw/zinc/43/07/39/987430739.db2.gz WXEXGZILWZRRST-REWJHTLYSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246108035 987436510 /nfs/dbraw/zinc/43/65/10/987436510.db2.gz BVLBOLLZIJCMSK-BJJPWKGXSA-N 2 0 237.391 1.105 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH2+][C@@H]2C)C[C@H](C)O1 ZINC001246109113 987440725 /nfs/dbraw/zinc/44/07/25/987440725.db2.gz JKJREZHFMFBGDI-XHJNMGKDSA-N 2 0 240.391 1.920 20 0 BDADRP C[NH2+]C1CCC([NH2+]C[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC001246111395 987444351 /nfs/dbraw/zinc/44/43/51/987444351.db2.gz NXGKUMJTBYLCOU-KBHBFKLGSA-N 3 0 239.407 1.495 20 0 BDADRP C[NH2+]CC[C@@H](C)NC[C@@]1(F)CCCC[NH2+]C1 ZINC001246110535 987444763 /nfs/dbraw/zinc/44/47/63/987444763.db2.gz IMDNOXBKXQOREY-VXGBXAGGSA-N 2 0 231.359 1.056 20 0 BDADRP CC[C@@H]1CC(NCCC[NH2+]C)C[C@@H](CC)[NH2+]1 ZINC001246112736 987450251 /nfs/dbraw/zinc/45/02/51/987450251.db2.gz MQPCDQQAMWDHOQ-VXGBXAGGSA-N 2 0 227.396 1.495 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1C[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246114162 987451008 /nfs/dbraw/zinc/45/10/08/987451008.db2.gz UTVLQYILWGJMMA-RDBSUJKOSA-N 3 0 239.407 1.354 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2C)CCO1 ZINC001246118793 987462753 /nfs/dbraw/zinc/46/27/53/987462753.db2.gz IOXNXNDPOPHMMY-IGQOVBAYSA-N 2 0 240.391 1.779 20 0 BDADRP CC[NH+]1CCC(NC[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC001246121845 987467035 /nfs/dbraw/zinc/46/70/35/987467035.db2.gz UKEJWJYXVMZHGQ-CHWSQXEVSA-N 2 0 239.407 1.306 20 0 BDADRP C[C@H]([NH3+])c1nc2ccccc2n1[C@H]1CCC[NH2+]C1 ZINC001246121889 987467651 /nfs/dbraw/zinc/46/76/51/987467651.db2.gz UYTBTCKRFYUYIB-QWRGUYRKSA-N 2 0 244.342 1.981 20 0 BDADRP CCCC[C@@H]1C[C@H](NC2(C)C[NH2+]C2)CC[NH2+]1 ZINC001246123218 987468702 /nfs/dbraw/zinc/46/87/02/987468702.db2.gz UJPMAKSHHFNDFF-VXGBXAGGSA-N 2 0 225.380 1.249 20 0 BDADRP C(C1CC1)[NH+]1CCC(N[C@H]2C[NH2+]CC23CC3)CC1 ZINC001246127155 987470955 /nfs/dbraw/zinc/47/09/55/987470955.db2.gz APKKBTXCWIRGSY-AWEZNQCLSA-N 2 0 249.402 1.202 20 0 BDADRP C[C@H]1C[C@H](NC[C@]23CCC[C@H]2C[NH2+]C3)CC[NH2+]1 ZINC001246127392 987473044 /nfs/dbraw/zinc/47/30/44/987473044.db2.gz KKIOMTJLYRLMAF-IGQOVBAYSA-N 2 0 237.391 1.106 20 0 BDADRP CC(C)(C)[C@@H]1C[C@H](N[C@H]2C[NH2+]C[C@H]2F)CC[NH2+]1 ZINC001246126700 987473998 /nfs/dbraw/zinc/47/39/98/987473998.db2.gz NDVOHPMQRQUJOF-WYUUTHIRSA-N 2 0 243.370 1.053 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1CCC[NH2+]C1)C2 ZINC001246131474 987482353 /nfs/dbraw/zinc/48/23/53/987482353.db2.gz YRFSQOOUWGNXCT-XDQVBPFNSA-N 2 0 237.391 1.343 20 0 BDADRP CCCC[C@@H]1C[C@H](N[C@@H]2C[NH2+]C[C@H]2F)CC[NH2+]1 ZINC001246131155 987483090 /nfs/dbraw/zinc/48/30/90/987483090.db2.gz VTVWROHYPLUBCO-FDYHWXHSSA-N 2 0 243.370 1.197 20 0 BDADRP CC[C@@H]1C[C@H](N[C@H]2CCC[NH2+]C2)C[C@H](CC)[NH2+]1 ZINC001246130838 987483623 /nfs/dbraw/zinc/48/36/23/987483623.db2.gz WLHSWKXOTLWWCX-RFQIPJPRSA-N 2 0 239.407 1.637 20 0 BDADRP C[C@@H]1CC[C@@H](N[C@@]23CCC[C@@H]2[NH2+]CC3)C[NH2+]1 ZINC001246135155 987489010 /nfs/dbraw/zinc/48/90/10/987489010.db2.gz PWGNHGXMROXHAO-FVCCEPFGSA-N 2 0 223.364 1.001 20 0 BDADRP C[C@H]1C[C@@H](N[C@@]23CCC[C@@H]2[NH2+]CC3)CC[NH2+]1 ZINC001246136514 987494174 /nfs/dbraw/zinc/49/41/74/987494174.db2.gz RYQRYPMMBBCOCL-ZDEQEGDKSA-N 2 0 223.364 1.001 20 0 BDADRP CC[C@H](CC(C)C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@@H]1COC2 ZINC001246144074 987504898 /nfs/dbraw/zinc/50/48/98/987504898.db2.gz BCJNVNNYZRYRQV-RQJABVFESA-N 2 0 240.391 1.635 20 0 BDADRP CC[C@H](C)[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001246148508 987506522 /nfs/dbraw/zinc/50/65/22/987506522.db2.gz SPWYDIBGJREMBL-RYUDHWBXSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@@H]1CC[C@H](N[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)C[NH2+]1 ZINC001246148800 987507387 /nfs/dbraw/zinc/50/73/87/987507387.db2.gz RZACTNKJUFWWAU-PEBLQZBPSA-N 2 0 237.391 1.105 20 0 BDADRP CC(C)CCC[C@H](C)[NH2+][C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001246150226 987508878 /nfs/dbraw/zinc/50/88/78/987508878.db2.gz VQOAZEABGWYCGE-RFQIPJPRSA-N 2 0 240.391 1.778 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CCCC[NH+]2CCCC2)CN1 ZINC001246162353 987519769 /nfs/dbraw/zinc/51/97/69/987519769.db2.gz OZWGTRDCUMUHBX-KGLIPLIRSA-N 2 0 239.407 1.593 20 0 BDADRP CCC[NH+](CCC)CCN[C@H]1CCC[NH2+]C1 ZINC001246163150 987520750 /nfs/dbraw/zinc/52/07/50/987520750.db2.gz WKFVHTRFFJXAGO-ZDUSSCGKSA-N 2 0 227.396 1.450 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246161927 987522427 /nfs/dbraw/zinc/52/24/27/987522427.db2.gz BYVKCKAZCFOIEX-FDYHWXHSSA-N 3 0 225.380 1.234 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCCC[NH+]2CCCC2)CC[NH2+]1 ZINC001246161750 987523039 /nfs/dbraw/zinc/52/30/39/987523039.db2.gz LIEJUDFZZKJMKC-KBPBESRZSA-N 3 0 239.407 1.593 20 0 BDADRP C([NH2+]C1CCC2(C[NH2+]C2)CC1)[C@@H]1CCCCN1 ZINC001246167331 987527321 /nfs/dbraw/zinc/52/73/21/987527321.db2.gz FPTIGLZCPWJMLR-ZDUSSCGKSA-N 2 0 237.391 1.250 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCCCCC[NH3+])CC[NH2+]1 ZINC001246163463 987528934 /nfs/dbraw/zinc/52/89/34/987528934.db2.gz IWGKPVQIODYRKS-NEPJUHHUSA-N 3 0 213.369 1.236 20 0 BDADRP CNc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC001246169858 987533034 /nfs/dbraw/zinc/53/30/34/987533034.db2.gz OHXADSJXWKFTPK-RISCZKNCSA-N 2 0 233.359 1.958 20 0 BDADRP C[C@@H]1CC(NC[C@@H]2CCCC[NH2+]2)C[C@@H](C)[NH2+]1 ZINC001246167978 987533404 /nfs/dbraw/zinc/53/34/04/987533404.db2.gz HGKXAYNSUWIMAD-UTUOFQBUSA-N 2 0 225.380 1.247 20 0 BDADRP C[NH2+]CC[C@@H](C)[NH2+][C@H](C)c1cccc(N)c1 ZINC001246175663 987541369 /nfs/dbraw/zinc/54/13/69/987541369.db2.gz MBTDGKAECJJZFQ-GHMZBOCLSA-N 2 0 221.348 1.917 20 0 BDADRP C[C@H]1CC[C@H]([NH2+]CCCCC[NH+](C)C)CN1 ZINC001246174819 987544847 /nfs/dbraw/zinc/54/48/47/987544847.db2.gz XFHVDXSBHKUTDI-STQMWFEESA-N 2 0 227.396 1.448 20 0 BDADRP [NH3+]Cc1cccc(NC2CC[NH2+]CC2)c1 ZINC001246178161 987550906 /nfs/dbraw/zinc/55/09/06/987550906.db2.gz LWJSNUSYYYCBIV-UHFFFAOYSA-N 2 0 205.305 1.309 20 0 BDADRP C[C@H]1C[C@H](n2ccc3cc(C[NH3+])cnc32)CC[NH2+]1 ZINC001246182912 987555585 /nfs/dbraw/zinc/55/55/85/987555585.db2.gz BOLGJIMLRRHGJY-GXFFZTMASA-N 2 0 244.342 1.808 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC[NH2+]1 ZINC001246185125 987562812 /nfs/dbraw/zinc/56/28/12/987562812.db2.gz RUJBKDBDXUGXMK-XGFWRYKXSA-N 2 0 237.391 1.342 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC23CC[NH2+]CC3)CN1 ZINC001246184486 987563510 /nfs/dbraw/zinc/56/35/10/987563510.db2.gz SKZLXBOEAFBPBA-FRRDWIJNSA-N 2 0 237.391 1.106 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2O)CC[NH2+]1 ZINC001246187972 987574678 /nfs/dbraw/zinc/57/46/78/987574678.db2.gz RSDLDCLGUIFKNF-KXNHARMFSA-N 2 0 212.337 1.020 20 0 BDADRP O=C1C[C@H]2C[C@H]([NH2+]C[C@H]3CCC[NH2+]3)C[C@H]2C1 ZINC001246188093 987575302 /nfs/dbraw/zinc/57/53/02/987575302.db2.gz UNKDANFGWTZPIQ-KXNHARMFSA-N 2 0 222.332 1.086 20 0 BDADRP CCOC(=O)CC[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC001246196980 987591891 /nfs/dbraw/zinc/59/18/91/987591891.db2.gz JDZUWFKZWZTOLT-NEPJUHHUSA-N 2 0 242.363 1.307 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)CCO1 ZINC001246199655 987593421 /nfs/dbraw/zinc/59/34/21/987593421.db2.gz YJNZRADZDVWPMA-JHJVBQTASA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H]1CC[C@@H](n2nc(C[NH3+])c3ccccc32)C[NH2+]1 ZINC001246199439 987595677 /nfs/dbraw/zinc/59/56/77/987595677.db2.gz JXCLXNMOTSURJA-WDEREUQCSA-N 2 0 244.342 1.808 20 0 BDADRP Cc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)n1C ZINC001246199360 987597162 /nfs/dbraw/zinc/59/71/62/987597162.db2.gz VULJQFCRZHULTI-CMPLNLGQSA-N 2 0 221.348 1.564 20 0 BDADRP C[C@H]1CC([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC001246205216 987601866 /nfs/dbraw/zinc/60/18/66/987601866.db2.gz MTLQLNRMAVHJNA-NNYUYHANSA-N 2 0 226.364 1.802 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246205195 987602090 /nfs/dbraw/zinc/60/20/90/987602090.db2.gz MCCCPNQIFGCSFY-KVSVUVNWSA-N 2 0 223.364 1.129 20 0 BDADRP CC(C)[C@H]1C[C@@H](N[C@@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246206016 987602850 /nfs/dbraw/zinc/60/28/50/987602850.db2.gz WHSSQZNXHROGPA-YIYPIFLZSA-N 2 0 239.407 1.623 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CC[NH2+]1 ZINC001246207986 987602960 /nfs/dbraw/zinc/60/29/60/987602960.db2.gz ZTXZGTVCQIOMQC-AAVRWANBSA-N 2 0 239.407 1.482 20 0 BDADRP Cc1cc(C[NH2+]CC2(C)CC[NH+](C)CC2)[nH]n1 ZINC001116508439 987611432 /nfs/dbraw/zinc/61/14/32/987611432.db2.gz NHSRCAKMQIBADS-UHFFFAOYSA-N 2 0 236.363 1.540 20 0 BDADRP CC[C@H]1CC(NC[C@@H]2CC[NH2+]2)C[C@H](CC)[NH2+]1 ZINC001246216765 987614215 /nfs/dbraw/zinc/61/42/15/987614215.db2.gz IJIUAOXSBYWBPI-SRVKXCTJSA-N 2 0 225.380 1.247 20 0 BDADRP CC1(C)C[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)O1 ZINC001246221222 987620484 /nfs/dbraw/zinc/62/04/84/987620484.db2.gz JOOXDODGDPOAPT-MBYGNEARSA-N 2 0 224.348 1.427 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC(C)(C)O2)CC[NH2+]1 ZINC001246224682 987621720 /nfs/dbraw/zinc/62/17/20/987621720.db2.gz XZRBSFYNCXHNRI-VWYCJHECSA-N 2 0 212.337 1.284 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC(C)(C)O2)CC[NH2+]1 ZINC001246224679 987623058 /nfs/dbraw/zinc/62/30/58/987623058.db2.gz XZRBSFYNCXHNRI-OUAUKWLOSA-N 2 0 212.337 1.284 20 0 BDADRP C1[NH2+]CC12C[C@H]([NH2+][C@H]1CC[C@@H]3CCC[C@@H]31)CCN2 ZINC001246232582 987629923 /nfs/dbraw/zinc/62/99/23/987629923.db2.gz XTUQDQFXPXOSFY-CRWXNKLISA-N 2 0 249.402 1.249 20 0 BDADRP C[N@H+](C1CCC([NH3+])CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246230624 987630508 /nfs/dbraw/zinc/63/05/08/987630508.db2.gz GIPAPOPPXTVEAC-HPCMXSDISA-N 3 0 237.391 1.471 20 0 BDADRP CC[C@H]1CC(NC2(CC)C[NH2+]C2)C[C@H](CC)[NH2+]1 ZINC001246235885 987634009 /nfs/dbraw/zinc/63/40/09/987634009.db2.gz MPVVKGVJNOZBBZ-RYUDHWBXSA-N 2 0 239.407 1.637 20 0 BDADRP CCC1(N[C@@H]2CC[NH2+]C3(CCC3)C2)C[NH2+]C1 ZINC001246237339 987635129 /nfs/dbraw/zinc/63/51/29/987635129.db2.gz SAUXMPOPTQLMQM-LLVKDONJSA-N 2 0 223.364 1.003 20 0 BDADRP C[C@@H]1C[C@@H](NCC[C@@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001246244232 987644901 /nfs/dbraw/zinc/64/49/01/987644901.db2.gz LGRCLCQUOUMUNZ-AGIUHOORSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@H]1CC[C@H](N[C@@H](C[NH3+])Cc2ccccc2)C[NH2+]1 ZINC001246262619 987659098 /nfs/dbraw/zinc/65/90/98/987659098.db2.gz BPIMMTDXMBBMGG-AEGPPILISA-N 2 0 247.386 1.287 20 0 BDADRP [NH3+]CCc1cn([C@@H]2CCC[NH2+]C2)c2cccnc12 ZINC001246263399 987660112 /nfs/dbraw/zinc/66/01/12/987660112.db2.gz GLBINRLUOVGIME-GFCCVEGCSA-N 2 0 244.342 1.462 20 0 BDADRP C(C[C@H]1CCC[NH2+]1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246275178 987668329 /nfs/dbraw/zinc/66/83/29/987668329.db2.gz YEUPSVNBWZKETO-FKJOKYEKSA-N 2 0 223.364 1.001 20 0 BDADRP CC[C@@H]1C[C@@H](N[C@@H]2CCC[C@@H]2[NH3+])C[C@H](CC)[NH2+]1 ZINC001246279326 987672481 /nfs/dbraw/zinc/67/24/81/987672481.db2.gz MQIIKAYRXCSHRA-ZUWCUPBKSA-N 2 0 239.407 1.765 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cc[nH]c(=O)c3)[C@H]2C1 ZINC001474303316 987683272 /nfs/dbraw/zinc/68/32/72/987683272.db2.gz XGCRAMOHIMRFSL-RWMBFGLXSA-N 2 0 247.342 1.217 20 0 BDADRP CCCCC(CCCC)N[C@H]1C[NH2+]C[C@H]1CO ZINC001246296728 987689734 /nfs/dbraw/zinc/68/97/34/987689734.db2.gz CIUBBYBDXDQFOV-JSGCOSHPSA-N 2 0 242.407 1.905 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCCC(C)(C)O)CC[NH2+]1 ZINC001246299085 987692826 /nfs/dbraw/zinc/69/28/26/987692826.db2.gz FCBQAJQZLDWGSW-GHMZBOCLSA-N 2 0 214.353 1.268 20 0 BDADRP C[C@H]1C[C@H](NC[C@@H]([NH3+])Cc2ccccc2)CC[NH2+]1 ZINC001246302963 987701249 /nfs/dbraw/zinc/70/12/49/987701249.db2.gz DLDIAROUXAHFNV-AEGPPILISA-N 2 0 247.386 1.287 20 0 BDADRP CC(C)[C@H]1C[C@@H](NCC[C@H](C)[NH3+])CC[NH2+]1 ZINC001246306183 987702985 /nfs/dbraw/zinc/70/29/85/987702985.db2.gz QLFUCLUPNYQJFJ-SDDRHHMPSA-N 2 0 213.369 1.090 20 0 BDADRP C[C@H]([NH3+])CC[NH2+]C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001246306672 987703680 /nfs/dbraw/zinc/70/36/80/987703680.db2.gz RRIQSCUCXXIICP-GUBZILKMSA-N 2 0 210.321 1.071 20 0 BDADRP C[C@H]([NH3+])CCNC1CC[NH+](CC2CC2)CC1 ZINC001246306170 987704278 /nfs/dbraw/zinc/70/42/78/987704278.db2.gz QALRPLVEEVUDCN-NSHDSACASA-N 2 0 225.380 1.188 20 0 BDADRP CCOC(=O)CCC[C@@H](C)[NH2+]C[C@H]([NH3+])CC ZINC001246310965 987713642 /nfs/dbraw/zinc/71/36/42/987713642.db2.gz BCDMFTSMRZRGHG-GHMZBOCLSA-N 2 0 230.352 1.435 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC(=O)C2)CC[NH2+]1 ZINC001246308353 987708914 /nfs/dbraw/zinc/70/89/14/987708914.db2.gz PYWYGCUXPFRMAO-OUAUKWLOSA-N 2 0 210.321 1.228 20 0 BDADRP CCCC[C@@H]1C[C@H](N[C@H](CC)C[NH3+])CC[NH2+]1 ZINC001246316971 987724033 /nfs/dbraw/zinc/72/40/33/987724033.db2.gz LHBBJSHFFLBTTM-JHJVBQTASA-N 2 0 227.396 1.624 20 0 BDADRP CCCC[C@@H]1C[C@@H](N[C@@H](CC)C[NH3+])CC[NH2+]1 ZINC001246316974 987724725 /nfs/dbraw/zinc/72/47/25/987724725.db2.gz LHBBJSHFFLBTTM-XQQFMLRXSA-N 2 0 227.396 1.624 20 0 BDADRP CC[C@H](C[NH3+])N[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246319892 987726035 /nfs/dbraw/zinc/72/60/35/987726035.db2.gz WFPCWHUGUHPLDI-GRYCIOLGSA-N 2 0 227.396 1.480 20 0 BDADRP C[C@@H]1CC[C@@H](N2C[C@H](C[NH3+])c3ccccc32)C[NH2+]1 ZINC001246322259 987728263 /nfs/dbraw/zinc/72/82/63/987728263.db2.gz GYCOGJNRXKISGM-FRRDWIJNSA-N 2 0 245.370 1.689 20 0 BDADRP CCCc1cc(C[NH3+])nn1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246320941 987729038 /nfs/dbraw/zinc/72/90/38/987729038.db2.gz LSEHPBGNNYNAMD-MFKMUULPSA-N 2 0 236.363 1.607 20 0 BDADRP CC[C@@H]1C[C@H](N[C@H]2CCC[NH2+][C@@H]2C)CC[NH2+]1 ZINC001246326478 987730857 /nfs/dbraw/zinc/73/08/57/987730857.db2.gz PIPHHBQFWNDUEK-LPWJVIDDSA-N 2 0 225.380 1.247 20 0 BDADRP CC1([NH+]2CCOCC2)CCC([NH2+]CCF)CC1 ZINC001474483406 987733986 /nfs/dbraw/zinc/73/39/86/987733986.db2.gz GPIZGSYTLCXMNQ-UHFFFAOYSA-N 2 0 244.354 1.579 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C2CCC(CCO)CC2)CC[NH2+]1 ZINC001246331404 987738624 /nfs/dbraw/zinc/73/86/24/987738624.db2.gz BGIZMALTCRKZCU-RYSNWHEDSA-N 2 0 240.391 1.658 20 0 BDADRP CC1(C)CC[NH2+]C[C@@H]1N[C@@H]1CCCC[NH2+]C1 ZINC001246333573 987741619 /nfs/dbraw/zinc/74/16/19/987741619.db2.gz VUKIFEMVKVQKQZ-NEPJUHHUSA-N 2 0 225.380 1.106 20 0 BDADRP CCCC[C@@H]1C[C@@H](NC[C@H]([NH3+])C(C)C)CC[NH2+]1 ZINC001246333040 987741679 /nfs/dbraw/zinc/74/16/79/987741679.db2.gz PVNJNHFHHIOUBF-RDBSUJKOSA-N 2 0 241.423 1.870 20 0 BDADRP C[C@@H]1CC[C@H](NC(C)(C)C(C)(C)[NH3+])C[NH2+]1 ZINC001246336691 987745098 /nfs/dbraw/zinc/74/50/98/987745098.db2.gz PYNZOFQQNRKRIO-ZJUUUORDSA-N 2 0 213.369 1.232 20 0 BDADRP C[C@@H]1C[C@@H](N[C@@]23CC[C@@]([NH3+])(C2)CCC3)C[NH2+]1 ZINC001246338813 987749782 /nfs/dbraw/zinc/74/97/82/987749782.db2.gz GUAABXSQPGQXAL-LPWJVIDDSA-N 2 0 223.364 1.131 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCN2CCC[C@@H](F)C2)CC[NH2+]1 ZINC001246344438 987752485 /nfs/dbraw/zinc/75/24/85/987752485.db2.gz ZEIUNICLYBOTRZ-UPJWGTAASA-N 2 0 243.370 1.150 20 0 BDADRP C[C@H]1CC[C@H](N[C@@H](C[NH3+])C(C)(C)C)C[NH2+]1 ZINC001246344969 987753679 /nfs/dbraw/zinc/75/36/79/987753679.db2.gz LRCUMTBLINHGEZ-DCAQKATOSA-N 2 0 213.369 1.090 20 0 BDADRP CC(C)[C@H]1C[C@@H](N[C@@H](C[NH3+])C(C)(C)C)CC[NH2+]1 ZINC001246348274 987755096 /nfs/dbraw/zinc/75/50/96/987755096.db2.gz VOLQUGQCIQNFGJ-XQQFMLRXSA-N 2 0 241.423 1.726 20 0 BDADRP CC1(C)CC[C@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246345911 987755296 /nfs/dbraw/zinc/75/52/96/987755296.db2.gz BMNVDELZFXWCSU-NWDGAFQWSA-N 2 0 237.391 1.249 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@H]([NH+](C)C)CC2)CN1 ZINC001246366481 987772586 /nfs/dbraw/zinc/77/25/86/987772586.db2.gz JMBXTSXPNYXUMW-AAVRWANBSA-N 2 0 239.407 1.589 20 0 BDADRP [NH3+]C1(CC2CC2)CCN([C@@H]2CCC[NH2+]C2)CC1 ZINC001246377506 987774219 /nfs/dbraw/zinc/77/42/19/987774219.db2.gz RWOWECQNUYPIQT-CYBMUJFWSA-N 2 0 237.391 1.332 20 0 BDADRP c1ccc(N2CC[C@@H]([NH2+]C3CC[NH2+]CC3)C2)nc1 ZINC001246372279 987774554 /nfs/dbraw/zinc/77/45/54/987774554.db2.gz ZRVICOCGHOCFND-CYBMUJFWSA-N 2 0 246.358 1.002 20 0 BDADRP C[C@H]1CC[C@@H]([NH2+]C2CCC3(C[NH2+]C3)CC2)CN1 ZINC001246380874 987775601 /nfs/dbraw/zinc/77/56/01/987775601.db2.gz YWUSHIITBRADNE-WCQYABFASA-N 2 0 237.391 1.249 20 0 BDADRP COC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)C1CC1 ZINC001246389687 987780853 /nfs/dbraw/zinc/78/08/53/987780853.db2.gz MUMFYMRAJUCTGJ-YUSALJHKSA-N 2 0 212.337 1.142 20 0 BDADRP CC(C)(Cc1ccncc1)[NH2+]C1CC[NH2+]CC1 ZINC001246402951 987785174 /nfs/dbraw/zinc/78/51/74/987785174.db2.gz FKNVVMXBZSGALR-UHFFFAOYSA-N 2 0 233.359 1.744 20 0 BDADRP [NH3+]CCN(c1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001246407018 987788569 /nfs/dbraw/zinc/78/85/69/987788569.db2.gz REGQVWCJNVWCBN-CYBMUJFWSA-N 2 0 237.322 1.343 20 0 BDADRP CCC1(N[C@H]2CC[NH2+][C@H](C)C2)CC[NH2+]CC1 ZINC001246423126 987793961 /nfs/dbraw/zinc/79/39/61/987793961.db2.gz IIWAUISTZFFWLH-NEPJUHHUSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@H](Cc1ccccc1F)[NH2+][C@H]1CC12C[NH2+]C2 ZINC001246441807 987797463 /nfs/dbraw/zinc/79/74/63/987797463.db2.gz ACTZPFIEBGEQFX-MFKMUULPSA-N 2 0 234.318 1.708 20 0 BDADRP CC[C@H](C)OCC[C@@H](C)[NH2+][C@@H]1CC12C[NH2+]C2 ZINC001246443917 987801673 /nfs/dbraw/zinc/80/16/73/987801673.db2.gz IKBRLTHNCTYNKV-GRYCIOLGSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@H]1C[C@H]([NH2+][C@H]2CC23C[NH2+]C3)C[C@@H](C)C1 ZINC001246445558 987803558 /nfs/dbraw/zinc/80/35/58/987803558.db2.gz PAJNUHBTPZNBEY-QCNOEVLYSA-N 2 0 208.349 1.763 20 0 BDADRP COc1ccc(N[C@H]2CCC[NH2+]C2)cc1C[NH3+] ZINC001246450891 987804836 /nfs/dbraw/zinc/80/48/36/987804836.db2.gz DGXSQZKVZOCHHI-LBPRGKRZSA-N 2 0 235.331 1.318 20 0 BDADRP Cc1ccc(C[C@@H](C)[NH2+][C@@H]2CC23C[NH2+]C3)cc1 ZINC001246448393 987805905 /nfs/dbraw/zinc/80/59/05/987805905.db2.gz YHLVGCZMIFPSOK-TZMCWYRMSA-N 2 0 230.355 1.878 20 0 BDADRP COc1cccc(C[C@H](C)[NH2+][C@@H]2CC23C[NH2+]C3)c1 ZINC001246447767 987806154 /nfs/dbraw/zinc/80/61/54/987806154.db2.gz WPGSPWDZGAMVAB-SMDDNHRTSA-N 2 0 246.354 1.578 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCc2ccc(CO)cc2)CC[NH2+]1 ZINC001246446273 987806334 /nfs/dbraw/zinc/80/63/34/987806334.db2.gz LXQJHVBRDOUBEF-SWLSCSKDSA-N 2 0 248.370 1.452 20 0 BDADRP COc1ccc(N[C@@H]2CC[C@H](C)[NH2+]C2)cc1C[NH3+] ZINC001246453928 987808489 /nfs/dbraw/zinc/80/84/89/987808489.db2.gz RFCVIQCUGURTTI-GXFFZTMASA-N 2 0 249.358 1.706 20 0 BDADRP CC[C@H]1CC(N[C@H]2C[C@@](C)([NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246460765 987819043 /nfs/dbraw/zinc/81/90/43/987819043.db2.gz NCVUOHOASWTGHL-AUZPSNTRSA-N 2 0 239.407 1.765 20 0 BDADRP CCCC[C@H]1C[C@H](N[C@H]2C[C@@](C)([NH3+])C2)CC[NH2+]1 ZINC001246467725 987827016 /nfs/dbraw/zinc/82/70/16/987827016.db2.gz ZSEXUBKUPPNYJB-RFQIPJPRSA-N 2 0 239.407 1.767 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+][C@H]2CCCC[C@H]2[NH3+])CCO1 ZINC001246479913 987838237 /nfs/dbraw/zinc/83/82/37/987838237.db2.gz WDFYFDJUHJJESN-LOWDOPEQSA-N 2 0 226.364 1.804 20 0 BDADRP CC(C)[NH+]1CCC(N[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC001246480291 987838643 /nfs/dbraw/zinc/83/86/43/987838643.db2.gz YKTSVJUCQWIQJM-KGLIPLIRSA-N 2 0 239.407 1.719 20 0 BDADRP C[C@@H]1CC[C@@H](C)C1[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246494842 987850138 /nfs/dbraw/zinc/85/01/38/987850138.db2.gz LTNBIKKMZYLJIX-IJLUTSLNSA-N 2 0 237.391 1.105 20 0 BDADRP [NH3+]C12CC(N[C@@H]3CC[NH2+]C4(CCCCC4)C3)(C1)C2 ZINC001246499697 987854594 /nfs/dbraw/zinc/85/45/94/987854594.db2.gz DBDAKNSERLOJQT-DNOWBOINSA-N 2 0 249.402 1.665 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+][C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246500060 987854691 /nfs/dbraw/zinc/85/46/91/987854691.db2.gz NYDDPDBFCYJZRD-RNJOBUHISA-N 2 0 226.364 1.674 20 0 BDADRP CC(C)C[C@@H](C[NH3+])N[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246503304 987857154 /nfs/dbraw/zinc/85/71/54/987857154.db2.gz KIOGBPSCZZDGJI-NEPJUHHUSA-N 2 0 227.396 1.480 20 0 BDADRP CC(C)C[C@@H](C[NH3+])NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246506836 987860130 /nfs/dbraw/zinc/86/01/30/987860130.db2.gz XGAKSOYHYRJQJU-HNGCFSAESA-N 2 0 225.380 1.232 20 0 BDADRP C[C@H]1C[C@H]([NH2+][C@@H]2CNc3ccccc3C2)CC[NH2+]1 ZINC001246507145 987860271 /nfs/dbraw/zinc/86/02/71/987860271.db2.gz XRWUOOZIBSGTBX-YUTCNCBUSA-N 2 0 245.370 1.753 20 0 BDADRP CCCC[C@H]1C[C@@H](N[C@@H](C)CC[NH3+])CC[NH2+]1 ZINC001246512603 987862805 /nfs/dbraw/zinc/86/28/05/987862805.db2.gz LBSKUPMYKLZLHF-AVGNSLFASA-N 2 0 227.396 1.624 20 0 BDADRP CC[NH+](CC)CCN(C)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246519547 987866432 /nfs/dbraw/zinc/86/64/32/987866432.db2.gz BQUOBYRGGAKQRR-STQMWFEESA-N 2 0 227.396 1.401 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](NC2CC[NH2+]CC2)[C@@H](C)C1 ZINC001246516455 987866873 /nfs/dbraw/zinc/86/68/73/987866873.db2.gz UCQHFWWUUMKUKF-GXTWGEPZSA-N 2 0 239.407 1.447 20 0 BDADRP C[C@@H]1CCC[C@H](C)[N@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246520719 987870901 /nfs/dbraw/zinc/87/09/01/987870901.db2.gz VMECDXCLVXAEFX-XQQFMLRXSA-N 2 0 237.391 1.343 20 0 BDADRP CCOCC[C@@H](C)[N@@H+]1CCC[NH2+]CC1 ZINC001246528984 987882175 /nfs/dbraw/zinc/88/21/75/987882175.db2.gz PUKNAHVGNQWTDT-LLVKDONJSA-N 2 0 200.326 1.097 20 0 BDADRP C[NH2+]CCN(C)[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246525552 987877757 /nfs/dbraw/zinc/87/77/57/987877757.db2.gz YOSMYFXJKYDUCU-CHWSQXEVSA-N 2 0 225.380 1.060 20 0 BDADRP C1C[C@@]2(C[NH2+]1)CCC[C@@H]([N@@H+]1CCCNCC1)C2 ZINC001246525889 987879272 /nfs/dbraw/zinc/87/92/72/987879272.db2.gz SYYQZIDFKVMNAX-KGLIPLIRSA-N 2 0 237.391 1.204 20 0 BDADRP N[C@@H]1C[N@@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)CC12CC2 ZINC001246533400 987888934 /nfs/dbraw/zinc/88/89/34/987888934.db2.gz NIIVNYFAFLRHSK-QWHCGFSZSA-N 2 0 249.402 1.332 20 0 BDADRP C[C@@]1([NH3+])CCN([C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC001246532655 987889175 /nfs/dbraw/zinc/88/91/75/987889175.db2.gz XRONGCLOHDPSBZ-MROQNXINSA-N 2 0 223.364 1.083 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N2C[C@@H]([NH3+])C3(CC3)C2)CC[NH2+]1 ZINC001246532270 987891084 /nfs/dbraw/zinc/89/10/84/987891084.db2.gz HKVHDZNXDCXKOD-RWMBFGLXSA-N 2 0 237.391 1.186 20 0 BDADRP CC[C@H]1CC(N2CCC[C@H]([NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246536585 987894016 /nfs/dbraw/zinc/89/40/16/987894016.db2.gz RNGJJJOHJQEQJD-AVGNSLFASA-N 2 0 239.407 1.719 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCN1[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246542433 987912444 /nfs/dbraw/zinc/91/24/44/987912444.db2.gz KPWGADQRSDHJSD-LPWJVIDDSA-N 2 0 239.407 1.575 20 0 BDADRP C[C@H]1C[N@@H+]([C@@H]2Cc3cccc(F)c3C2)C[C@H]1C[NH3+] ZINC001246544759 987917448 /nfs/dbraw/zinc/91/74/48/987917448.db2.gz YQKURBTUXUDTEQ-CYZMBNFOSA-N 2 0 248.345 1.820 20 0 BDADRP CC[C@H](C)[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246545606 987918085 /nfs/dbraw/zinc/91/80/85/987918085.db2.gz BWALIAQWCDLAIY-QWRGUYRKSA-N 2 0 202.317 1.938 20 0 BDADRP [NH3+][C@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001246544752 987919962 /nfs/dbraw/zinc/91/99/62/987919962.db2.gz YNDUOTOBTZGEAB-WODVXLOZSA-N 2 0 224.348 1.510 20 0 BDADRP C[C@@]1(O)CCCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246547394 987926053 /nfs/dbraw/zinc/92/60/53/987926053.db2.gz HZDKCUKYDNBQPU-QNMSZWNNSA-N 2 0 238.375 1.506 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H]([NH3+])CC2)CCO1 ZINC001246548390 987933914 /nfs/dbraw/zinc/93/39/14/987933914.db2.gz TVLOEZJUKZTTEZ-UTUOFQBUSA-N 2 0 212.337 1.367 20 0 BDADRP C[C@@]1([NH3+])CCCN([C@@H]2CCC[NH2+]CC2)CC1 ZINC001246551029 987941451 /nfs/dbraw/zinc/94/14/51/987941451.db2.gz JYDQTPGYGOOANH-CHWSQXEVSA-N 2 0 225.380 1.332 20 0 BDADRP [NH3+]C[C@]1(F)CCC[N@@H+]([C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001246552267 987950847 /nfs/dbraw/zinc/95/08/47/987950847.db2.gz UCFHMUDHFZYGJG-LOWDOPEQSA-N 2 0 226.339 1.938 20 0 BDADRP [NH3+]CC1CC[NH+]([C@@H]2CC3CCN(CC3)C2)CC1 ZINC001246552622 987955137 /nfs/dbraw/zinc/95/51/37/987955137.db2.gz VIRPEHPFLKHQFE-CQSZACIVSA-N 2 0 237.391 1.141 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH3+])N(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246554186 987958461 /nfs/dbraw/zinc/95/84/61/987958461.db2.gz CZHORIZLVRHWMZ-JABUTEAWSA-N 2 0 237.391 1.329 20 0 BDADRP C[C@@H]1CC[C@H](C[NH3+])N([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246553533 987962135 /nfs/dbraw/zinc/96/21/35/987962135.db2.gz BDIGKGYSBQTSRC-FDYHWXHSSA-N 2 0 225.380 1.186 20 0 BDADRP CC1(C)CCC[C@@H]([N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)C1 ZINC001246556782 987964334 /nfs/dbraw/zinc/96/43/34/987964334.db2.gz DEJUXJXPQBWAAK-IJLUTSLNSA-N 2 0 226.364 1.349 20 0 BDADRP C[C@H]1C[C@@H]([N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)CCO1 ZINC001246555360 987966905 /nfs/dbraw/zinc/96/69/05/987966905.db2.gz DUEHSHMGSRWCKP-RQJABVFESA-N 2 0 240.391 1.861 20 0 BDADRP C[C@@H]1CC[C@@H](N2CCC[C@@](C)([NH3+])CC2)C[NH2+]1 ZINC001246556438 987969271 /nfs/dbraw/zinc/96/92/71/987969271.db2.gz ZVWOONKMMCYDHM-JHJVBQTASA-N 2 0 225.380 1.330 20 0 BDADRP C[C@@H]1CC[C@@H](CN)[N@@H+]([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC001246555694 987969834 /nfs/dbraw/zinc/96/98/34/987969834.db2.gz HOMBRQIFRRRMOS-PEBLQZBPSA-N 2 0 237.391 1.044 20 0 BDADRP CC[C@@H]1C[C@H](N2C[C@H](C)CC[C@@H]2C[NH3+])CC[NH2+]1 ZINC001246557973 987975980 /nfs/dbraw/zinc/97/59/80/987975980.db2.gz NGJVJQSEYIHYMS-AAVRWANBSA-N 2 0 239.407 1.576 20 0 BDADRP CCCC[C@@H](C)[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246557920 987977120 /nfs/dbraw/zinc/97/71/20/987977120.db2.gz JHGVFRPSZNQFEP-CHWSQXEVSA-N 2 0 228.380 1.741 20 0 BDADRP CCOCC[C@@H](C)[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246557378 987978422 /nfs/dbraw/zinc/97/84/22/987978422.db2.gz LHVFVEVRDWOXFQ-CHWSQXEVSA-N 2 0 246.370 1.954 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246560450 987981094 /nfs/dbraw/zinc/98/10/94/987981094.db2.gz GZUUZBYYOKWPTP-JHJVBQTASA-N 2 0 227.396 1.386 20 0 BDADRP C[NH2+]CC[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001246560601 987983759 /nfs/dbraw/zinc/98/37/59/987983759.db2.gz QPZMZOQXQUPXPA-AGIUHOORSA-N 3 0 227.396 1.291 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2CCCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246560806 987995802 /nfs/dbraw/zinc/99/58/02/987995802.db2.gz UAWDZVGJYHNNQG-MCIONIFRSA-N 2 0 239.407 1.576 20 0 BDADRP CCN1CC[C@H]([N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)C1 ZINC001246561745 987997875 /nfs/dbraw/zinc/99/78/75/987997875.db2.gz LAXDLWAUHFLTLI-IHRRRGAJSA-N 2 0 239.407 1.387 20 0 BDADRP C[C@@H]1C[N@@H+]([C@@H]2CCCOC2)CCC[C@@H]1C[NH3+] ZINC001246563053 988000481 /nfs/dbraw/zinc/00/04/81/988000481.db2.gz CAPJDRAFAIYQAM-JHJVBQTASA-N 2 0 226.364 1.472 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC001118121683 988017829 /nfs/dbraw/zinc/01/78/29/988017829.db2.gz HFQMSFZTGZKPPH-SDDRHHMPSA-N 2 0 214.353 1.389 20 0 BDADRP C[C@@H]1CN([C@@H]2CCCC[NH2+]C2)CCC[C@H]1C[NH3+] ZINC001246564729 988013465 /nfs/dbraw/zinc/01/34/65/988013465.db2.gz GJXRQVYCSQZCQT-HZSPNIEDSA-N 2 0 239.407 1.435 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001246566764 988023911 /nfs/dbraw/zinc/02/39/11/988023911.db2.gz IXGSPMRRVMWVDP-RDBSUJKOSA-N 2 0 241.423 1.776 20 0 BDADRP C[C@@H]1[C@H](C[NH3+])CCCN1[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246568150 988045482 /nfs/dbraw/zinc/04/54/82/988045482.db2.gz ZSSUDCDUHSYOMN-AGIUHOORSA-N 2 0 239.407 1.576 20 0 BDADRP CC[C@@H]1C[C@@H](N2CC[C@@H](C)[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246569992 988050310 /nfs/dbraw/zinc/05/03/10/988050310.db2.gz RHPJCLIALZZSHY-NDBYEHHHSA-N 2 0 225.380 1.186 20 0 BDADRP C[C@@H]1CN([C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)CC[NH2+]1 ZINC001246573174 988067803 /nfs/dbraw/zinc/06/78/03/988067803.db2.gz HXRINZGQLARKNV-UPJWGTAASA-N 2 0 239.407 1.447 20 0 BDADRP CCC[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001321978644 988072428 /nfs/dbraw/zinc/07/24/28/988072428.db2.gz QFQOJDDNVNQUKC-NWDGAFQWSA-N 2 0 243.395 1.077 20 0 BDADRP C[C@@]1(C[NH3+])CCCN([C@H]2CCC[NH2+]C2)CC1 ZINC001246574050 988072898 /nfs/dbraw/zinc/07/28/98/988072898.db2.gz IBHNRBOYZOBWCD-QWHCGFSZSA-N 2 0 225.380 1.189 20 0 BDADRP CC(C)C[NH2+]CC(=O)N[C@](C)(C[NH3+])CC(C)C ZINC001118193469 988084473 /nfs/dbraw/zinc/08/44/73/988084473.db2.gz CPBCSZRAGKJUBO-ZDUSSCGKSA-N 2 0 243.395 1.112 20 0 BDADRP CC(C)C[NH2+]CC(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC001118193466 988085616 /nfs/dbraw/zinc/08/56/16/988085616.db2.gz CPBCSZRAGKJUBO-CYBMUJFWSA-N 2 0 243.395 1.112 20 0 BDADRP COC[C@H](C)[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246577185 988093827 /nfs/dbraw/zinc/09/38/27/988093827.db2.gz NHSJEAAPDZASPZ-RYUDHWBXSA-N 2 0 214.353 1.472 20 0 BDADRP COC[C@@H](C)[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246583783 988124637 /nfs/dbraw/zinc/12/46/37/988124637.db2.gz KSCFQKVCZHIOLD-VXGBXAGGSA-N 2 0 214.353 1.472 20 0 BDADRP c1cnn(CC[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001118222771 988124786 /nfs/dbraw/zinc/12/47/86/988124786.db2.gz GRGLVEXTGLIBHA-UHFFFAOYSA-N 2 0 248.374 1.349 20 0 BDADRP C[NH2+]CC[C@@H](C)[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246582669 988128156 /nfs/dbraw/zinc/12/81/56/988128156.db2.gz SBMDWPVZQGNKIC-OLZOCXBDSA-N 3 0 227.396 1.435 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](C)N1C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246586889 988143490 /nfs/dbraw/zinc/14/34/90/988143490.db2.gz PPIIMWMWUFVJCK-FIQHERPVSA-N 2 0 225.380 1.198 20 0 BDADRP CCOCC[C@H](C)[NH+]1CC(C)(C[NH3+])C1 ZINC001246587003 988144423 /nfs/dbraw/zinc/14/44/23/988144423.db2.gz DCEBDEBNOFSQNC-JTQLQIEISA-N 2 0 200.326 1.082 20 0 BDADRP C[NH2+][C@@H](C)CCNC(=O)[C@@H]([NH3+])C1CCCCC1 ZINC001118256389 988154277 /nfs/dbraw/zinc/15/42/77/988154277.db2.gz SCGSYNHBBFAKES-JQWIXIFHSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@@H]1CC([N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)C[C@@H](C)C1 ZINC001246589099 988157599 /nfs/dbraw/zinc/15/75/99/988157599.db2.gz YZYVOICBZIUTPA-MRBYEJRBSA-N 2 0 226.364 1.063 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC(C)(C[NH3+])C1)C2 ZINC001246589610 988162877 /nfs/dbraw/zinc/16/28/77/988162877.db2.gz PTJKOPUOKQIXLI-CLLJXQQHSA-N 2 0 237.391 1.282 20 0 BDADRP c1ccc([C@@H]2C[NH2+]CCN2C2CC[NH2+]CC2)cc1 ZINC001246590949 988168189 /nfs/dbraw/zinc/16/81/89/988168189.db2.gz FAUBQRTUTBRUOF-HNNXBMFYSA-N 2 0 245.370 1.385 20 0 BDADRP C[C@@H]1CC[C@@H]([N@@H+]2CCNC3(CC[NH2+]CC3)C2)C1 ZINC001246598337 988197036 /nfs/dbraw/zinc/19/70/36/988197036.db2.gz AIVHUCKXLITPKH-CHWSQXEVSA-N 2 0 237.391 1.202 20 0 BDADRP CC1(C[NH3+])C[NH+]([C@H]2CCOC(C)(C)C2)C1 ZINC001246600659 988210891 /nfs/dbraw/zinc/21/08/91/988210891.db2.gz UBZGNYVATSMBPO-JTQLQIEISA-N 2 0 212.337 1.225 20 0 BDADRP CC[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]C(C)C ZINC001495132990 988215850 /nfs/dbraw/zinc/21/58/50/988215850.db2.gz BRPHDJLHYOLTIE-GFCCVEGCSA-N 2 0 243.395 1.219 20 0 BDADRP C[C@@H]1C[C@@H](N2CCC[C@@]3(CCC[NH2+]C3)C2)C[NH2+]1 ZINC001246614443 988243243 /nfs/dbraw/zinc/24/32/43/988243243.db2.gz SZEQNJCZVBGQNW-MGPQQGTHSA-N 2 0 237.391 1.202 20 0 BDADRP C1CN([C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@]2(C1)CCC[NH2+]C2 ZINC001246612870 988244297 /nfs/dbraw/zinc/24/42/97/988244297.db2.gz XQPPPEOTPIVFTQ-XGUBFFRZSA-N 2 0 249.402 1.487 20 0 BDADRP CC1(C)C[C@H]([NH+]2CCC(F)(C[NH3+])CC2)CO1 ZINC001246616969 988250751 /nfs/dbraw/zinc/25/07/51/988250751.db2.gz DAISKGLOWBJXFS-JTQLQIEISA-N 2 0 230.327 1.317 20 0 BDADRP C1CC[C@@]2(CCCN(C3CC[NH2+]CC3)C2)[NH2+]C1 ZINC001246615295 988256547 /nfs/dbraw/zinc/25/65/47/988256547.db2.gz RWAIHTWZNWOHMG-AWEZNQCLSA-N 2 0 237.391 1.347 20 0 BDADRP C[C@@H]1CC[C@@H](N2CCC[C@]3(CCC[NH2+]3)C2)C[NH2+]1 ZINC001246616272 988261950 /nfs/dbraw/zinc/26/19/50/988261950.db2.gz GXAZXVBXSGRGFZ-MGPQQGTHSA-N 2 0 237.391 1.345 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH+]2CCC(F)(C[NH3+])CC2)C1 ZINC001246622199 988265942 /nfs/dbraw/zinc/26/59/42/988265942.db2.gz YBILQQJFCXISON-NWDGAFQWSA-N 2 0 244.354 1.707 20 0 BDADRP C[C@@H]1CC[C@@H](N2CC[C@@]3(C2)CCCC[NH2+]3)C[NH2+]1 ZINC001246627035 988300321 /nfs/dbraw/zinc/30/03/21/988300321.db2.gz WEBIUDRRHWXHAX-MGPQQGTHSA-N 2 0 237.391 1.345 20 0 BDADRP C1C[NH2+][C@@]2(C1)CCCN([C@@H]1CCC[NH2+]C1)CC2 ZINC001246629670 988301290 /nfs/dbraw/zinc/30/12/90/988301290.db2.gz FVPPOIWHHAUHGT-KGLIPLIRSA-N 2 0 237.391 1.347 20 0 BDADRP C[C@H]1CC[C@@H]([N@H+]2C[C@H]3[C@H](CC3(F)F)C2)C[NH2+]1 ZINC001246630164 988302957 /nfs/dbraw/zinc/30/29/57/988302957.db2.gz HICXIBDCTQHPCA-ZDCRXTMVSA-N 2 0 230.302 1.714 20 0 BDADRP FC1(F)C[C@@H]2C[N@@H+](C3CC[NH2+]CC3)C[C@@H]21 ZINC001246629024 988305458 /nfs/dbraw/zinc/30/54/58/988305458.db2.gz DFYLIOZGCIWZRN-SCZZXKLOSA-N 2 0 216.275 1.325 20 0 BDADRP C[C@H]1C[C@@H]([N@H+]2C[C@H]3[C@H](CC3(F)F)C2)CC[NH2+]1 ZINC001246634758 988322155 /nfs/dbraw/zinc/32/21/55/988322155.db2.gz OVRSTOCMZSOMAM-VLEAKVRGSA-N 2 0 230.302 1.714 20 0 BDADRP C[C@@H]1C[C@@H]([N@H+]2C[C@H]3[C@H](CC3(F)F)C2)CC[NH2+]1 ZINC001246634760 988322526 /nfs/dbraw/zinc/32/25/26/988322526.db2.gz OVRSTOCMZSOMAM-ZNSHCXBVSA-N 2 0 230.302 1.714 20 0 BDADRP C1CC2(C1)C[C@H](N1CC[C@H]3[NH2+]CC[C@H]31)CC[NH2+]2 ZINC001246636361 988324476 /nfs/dbraw/zinc/32/44/76/988324476.db2.gz GJAHNKLNLNVEDL-JHJVBQTASA-N 2 0 235.375 1.097 20 0 BDADRP C[NH2+]CC[C@H](C)N1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001246637489 988325499 /nfs/dbraw/zinc/32/54/99/988325499.db2.gz ZEOZBRQXGYVRMU-UONOGXRCSA-N 2 0 239.407 1.593 20 0 BDADRP C1[NH2+]CC12CCCN2[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246640502 988338431 /nfs/dbraw/zinc/33/84/31/988338431.db2.gz DTCQHACLEOGOMB-KBPBESRZSA-N 2 0 249.402 1.347 20 0 BDADRP C[C@@H]1CC[C@@H](N2CCC3(C2)CC[NH2+]CC3)C[NH2+]1 ZINC001246639031 988342937 /nfs/dbraw/zinc/34/29/37/988342937.db2.gz MXVUVTOTOOKDLZ-CHWSQXEVSA-N 2 0 237.391 1.202 20 0 BDADRP CO[C@H]1CCC[C@@H]([N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC001246641526 988344208 /nfs/dbraw/zinc/34/42/08/988344208.db2.gz JAMYRKQKNUTUBY-MROQNXINSA-N 2 0 224.348 1.380 20 0 BDADRP COC1CCC([N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001246641722 988344293 /nfs/dbraw/zinc/34/42/93/988344293.db2.gz XJTDPPVDIDVSGF-FIYWTHMPSA-N 2 0 224.348 1.380 20 0 BDADRP C[C@@H]1C[C@H](N2CCCC[C@]23CCC[NH2+]C3)C[NH2+]1 ZINC001246649805 988370156 /nfs/dbraw/zinc/37/01/56/988370156.db2.gz FGRJKYZWODAPBZ-HZSPNIEDSA-N 2 0 237.391 1.345 20 0 BDADRP C1C[C@@]2(C[NH2+]1)CCCCN2[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246650275 988373337 /nfs/dbraw/zinc/37/33/37/988373337.db2.gz SNEMQRUYZDPFSW-CBBWQLFWSA-N 2 0 249.402 1.487 20 0 BDADRP C[NH2+]CC[C@H](C)[NH+]1CCC2(CC[NH2+]CC2)CC1 ZINC001246656711 988384853 /nfs/dbraw/zinc/38/48/53/988384853.db2.gz VGMDCQVMWKWQPO-ZDUSSCGKSA-N 3 0 239.407 1.450 20 0 BDADRP [NH3+][C@@]12C[C@@H]1CCN(C1CCC3(CC[NH2+]C3)CC1)C2 ZINC001246665252 988403618 /nfs/dbraw/zinc/40/36/18/988403618.db2.gz ZYTHECLGQPRLQB-VXGQWTEUSA-N 2 0 249.402 1.332 20 0 BDADRP C1N([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)CC12CCC[NH2+]2 ZINC001246667499 988409359 /nfs/dbraw/zinc/40/93/59/988409359.db2.gz KVPOCOCXEWYRQW-ZIAGYGMSSA-N 2 0 249.402 1.347 20 0 BDADRP CC[C@@H]1CC(N2CC[NH2+]C[C@@H]2C)C[C@@H](CC)[NH2+]1 ZINC001246674428 988418423 /nfs/dbraw/zinc/41/84/23/988418423.db2.gz SXLTWCZBHZICHO-YNEHKIRRSA-N 2 0 239.407 1.589 20 0 BDADRP C[C@H]1CNCC[N@@H+]1[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246675860 988421629 /nfs/dbraw/zinc/42/16/29/988421629.db2.gz YOIXEGOZXJYYTJ-MELADBBJSA-N 2 0 237.391 1.202 20 0 BDADRP CC[C@H]1CC(N2C[C@@H]3C[C@H]2C[NH2+]3)C[C@H](CC)[NH2+]1 ZINC001246676668 988421820 /nfs/dbraw/zinc/42/18/20/988421820.db2.gz KBYOQRBELCMKCO-MNXVOIDGSA-N 2 0 237.391 1.342 20 0 BDADRP O=C1C[C@H]2CC[C@@H](C1)[N@H+]2C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246678614 988424910 /nfs/dbraw/zinc/42/49/10/988424910.db2.gz OVRUQCBBKCWXRN-HTYKTIJTSA-N 2 0 234.343 1.465 20 0 BDADRP C[C@@H]1CC(N(C)[C@@H]2CCC[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC001246679523 988426413 /nfs/dbraw/zinc/42/64/13/988426413.db2.gz QIYPPOYMXHVDOD-IJLUTSLNSA-N 2 0 225.380 1.199 20 0 BDADRP CC[C@@H]1CC(N(C)CCC[NH3+])C[C@@H](CC)[NH2+]1 ZINC001246683033 988431331 /nfs/dbraw/zinc/43/13/31/988431331.db2.gz XYYJOYJDXYSPRX-VXGBXAGGSA-N 2 0 227.396 1.576 20 0 BDADRP CN(CCC[NH3+])[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246681790 988433477 /nfs/dbraw/zinc/43/34/77/988433477.db2.gz QPPRSTXZORJQRV-GJZGRUSLSA-N 2 0 247.386 1.760 20 0 BDADRP CCCC[N@H+](CCC)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246776699 988455229 /nfs/dbraw/zinc/45/52/29/988455229.db2.gz LPJBHGXATZNCAL-CYBMUJFWSA-N 2 0 239.407 1.593 20 0 BDADRP C[C@H]1C[C@H](N(C)CCC[NH+]2CCCC2)CC[NH2+]1 ZINC001246784503 988460708 /nfs/dbraw/zinc/46/07/08/988460708.db2.gz XWOGEBANMMSRLE-UONOGXRCSA-N 2 0 239.407 1.545 20 0 BDADRP CCN(CC[NH+]1CCCC1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246795457 988473643 /nfs/dbraw/zinc/47/36/43/988473643.db2.gz JHAHWQJSMZRDBF-ZIAGYGMSSA-N 2 0 239.407 1.545 20 0 BDADRP CC[C@@H]1C[NH2+]CCN1[C@@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246801952 988478616 /nfs/dbraw/zinc/47/86/16/988478616.db2.gz HUWKXQMFWJSDGG-MCIONIFRSA-N 2 0 239.407 1.447 20 0 BDADRP CC[NH2+]C1CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246810155 988488212 /nfs/dbraw/zinc/48/82/12/988488212.db2.gz YMBMQKAUFHADDI-PBWFPOADSA-N 2 0 237.391 1.343 20 0 BDADRP CC[C@@H]1C[NH2+]CCN1[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246806596 988489998 /nfs/dbraw/zinc/48/99/98/988489998.db2.gz XQPKYNGCCDFCQF-OLZOCXBDSA-N 2 0 237.391 1.345 20 0 BDADRP C([C@H]1CCCN1[C@@H]1CCC[NH2+]C1)[NH+]1CCCC1 ZINC001246806417 988492776 /nfs/dbraw/zinc/49/27/76/988492776.db2.gz NESWZEYPPPRBCD-ZIAGYGMSSA-N 2 0 237.391 1.299 20 0 BDADRP C[NH2+]C1CCC([N@@H+]2CCNCC2(C)C)CC1 ZINC001246811068 988497080 /nfs/dbraw/zinc/49/70/80/988497080.db2.gz RBGPNDRBVFTOAQ-UHFFFAOYSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@H]1C[C@H]([N@H+](C)CCc2cccnc2)CC[NH2+]1 ZINC001246814445 988497122 /nfs/dbraw/zinc/49/71/22/988497122.db2.gz PFFFWGXPPJXRGH-GXTWGEPZSA-N 2 0 233.359 1.696 20 0 BDADRP C[NH2+]CC[C@@H](C)N1CC[NH2+][C@@H](CC(C)C)C1 ZINC001246819347 988505097 /nfs/dbraw/zinc/50/50/97/988505097.db2.gz CYWGJCVQMAISJE-OLZOCXBDSA-N 2 0 227.396 1.304 20 0 BDADRP C[C@H]1CC[C@H]([NH3+])CN1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246822923 988509969 /nfs/dbraw/zinc/50/99/69/988509969.db2.gz MLAUSEAJYUECAQ-MSXOGSJSSA-N 2 0 223.364 1.081 20 0 BDADRP COC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246829567 988520166 /nfs/dbraw/zinc/52/01/66/988520166.db2.gz MEXMFPNYMREQLD-SDDRHHMPSA-N 2 0 240.347 1.012 20 0 BDADRP CC1(C)CCC[C@H](N(CC[NH3+])CC[NH3+])C1 ZINC001246828648 988521232 /nfs/dbraw/zinc/52/12/32/988521232.db2.gz BXPGJDSJHFICPT-NSHDSACASA-N 2 0 213.369 1.175 20 0 BDADRP CN(C1C[NH2+]C1)[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246828622 988521798 /nfs/dbraw/zinc/52/17/98/988521798.db2.gz DFMCHHNQCQLYKL-UKRRQHHQSA-N 2 0 245.370 1.383 20 0 BDADRP CCCC[C@H](CC)N(CC[NH3+])CC[NH3+] ZINC001246829380 988523752 /nfs/dbraw/zinc/52/37/52/988523752.db2.gz FPIRMMAOQBBHOU-NSHDSACASA-N 2 0 201.358 1.175 20 0 BDADRP C1C[NH2+][C@@H](C2CCN([C@@H]3CCC[NH2+]C3)CC2)C1 ZINC001246829785 988524601 /nfs/dbraw/zinc/52/46/01/988524601.db2.gz FJUORORCYILKQR-ZIAGYGMSSA-N 2 0 237.391 1.202 20 0 BDADRP CC(C)[C@H]1C[C@H](N2CC[C@@H](F)[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246832218 988525844 /nfs/dbraw/zinc/52/58/44/988525844.db2.gz AYFGMXLJZCGCGT-FDYHWXHSSA-N 2 0 243.370 1.134 20 0 BDADRP CC(C)[C@H]1C[C@@H](N2CC[C@@H](F)[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246832232 988529050 /nfs/dbraw/zinc/52/90/50/988529050.db2.gz AYFGMXLJZCGCGT-UMSGYPCISA-N 2 0 243.370 1.134 20 0 BDADRP Cc1ccc(C[C@@H](C)N(CC[NH3+])CC[NH3+])cc1 ZINC001246831328 988530066 /nfs/dbraw/zinc/53/00/66/988530066.db2.gz NLGDGHMLZYLBLY-CYBMUJFWSA-N 2 0 235.375 1.145 20 0 BDADRP CC[NH+](CC)[C@H]1CCN([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246838967 988543227 /nfs/dbraw/zinc/54/32/27/988543227.db2.gz KWFALNIOSIJSIT-RDBSUJKOSA-N 2 0 239.407 1.543 20 0 BDADRP [NH3+][C@@]12CC[C@H]1CN(C1CC[NH+](CC3CC3)CC1)C2 ZINC001246854529 988568891 /nfs/dbraw/zinc/56/88/91/988568891.db2.gz PZPCPYRAANKMTP-DZGCQCFKSA-N 3 0 249.402 1.284 20 0 BDADRP CCN([C@@H]1CC[NH2+]C1)C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246853069 988570808 /nfs/dbraw/zinc/57/08/08/988570808.db2.gz SHTZMSJGOINFKC-IJLUTSLNSA-N 2 0 225.380 1.199 20 0 BDADRP CCN(C1C[C@@H](C)[NH2+][C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC001246853153 988572652 /nfs/dbraw/zinc/57/26/52/988572652.db2.gz HFNMZHWYEQWERR-UPJWGTAASA-N 2 0 239.407 1.589 20 0 BDADRP [NH3+][C@]12CC[C@H]1C[N@@H+]([C@H]1Cc3cccc(F)c3C1)C2 ZINC001246855628 988578579 /nfs/dbraw/zinc/57/85/79/988578579.db2.gz VCEHXFFWHMDBME-HUBLWGQQSA-N 2 0 246.329 1.716 20 0 BDADRP C[C@H]1CC[C@H](N2CC3(C2)CCC[NH2+]CC3)C[NH2+]1 ZINC001246854675 988582477 /nfs/dbraw/zinc/58/24/77/988582477.db2.gz QOJJWPFURYWBCB-STQMWFEESA-N 2 0 237.391 1.202 20 0 BDADRP C[C@H]1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)C[NH2+]1 ZINC001246859629 988591597 /nfs/dbraw/zinc/59/15/97/988591597.db2.gz MCQSAYOBCKQKOL-SVNGYHJRSA-N 2 0 212.312 1.559 20 0 BDADRP CC1(C)CC[C@@H]([N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])C1 ZINC001246861979 988600757 /nfs/dbraw/zinc/60/07/57/988600757.db2.gz SUPBWNBYOOSWNS-DAAZQVBGSA-N 2 0 238.375 1.471 20 0 BDADRP C[NH2+]C1CCC([N@@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)CC1 ZINC001246866302 988618680 /nfs/dbraw/zinc/61/86/80/988618680.db2.gz JDAMVCQPILZKIQ-AHPWVWPOSA-N 3 0 237.391 1.201 20 0 BDADRP C(OC[C@@H]1CC[N@@H+](C2CC[NH2+]CC2)C1)C1CC1 ZINC001246867081 988618992 /nfs/dbraw/zinc/61/89/92/988618992.db2.gz WMEHXAHONMXLAI-CYBMUJFWSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@@H]1CC[C@H](N2CC3(C2)CC[NH+](C)CC3)C[NH2+]1 ZINC001246875496 988641745 /nfs/dbraw/zinc/64/17/45/988641745.db2.gz WWRXRENHSFHKPQ-OLZOCXBDSA-N 2 0 237.391 1.155 20 0 BDADRP CC(C)[C@H]1[NH2+]CCc2ncn([C@H]3CCC[NH2+]C3)c21 ZINC001246882360 988651774 /nfs/dbraw/zinc/65/17/74/988651774.db2.gz HVFDZAOYGDDVEI-WCQYABFASA-N 2 0 248.374 1.650 20 0 BDADRP Fc1ccc([C@@H]2C[NH2+]CCN2[C@@H]2CC[NH2+]C2)cc1 ZINC001246886445 988654157 /nfs/dbraw/zinc/65/41/57/988654157.db2.gz LCFFFLICZBKVDZ-KGLIPLIRSA-N 2 0 249.333 1.134 20 0 BDADRP CCN(CC[NH2+]C)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246890293 988658745 /nfs/dbraw/zinc/65/87/45/988658745.db2.gz IPJIFPVEBSSUMG-CYBMUJFWSA-N 2 0 239.407 1.450 20 0 BDADRP CCCC[C@H]1CN([C@H]2CC[NH2+][C@H](C)C2)CC[NH2+]1 ZINC001246889876 988659042 /nfs/dbraw/zinc/65/90/42/988659042.db2.gz GLIOGILTEIVSMV-RDBSUJKOSA-N 2 0 239.407 1.591 20 0 BDADRP CC[C@@H]1C[C@@H](N(CC)CC[NH2+]C)C[C@H](CC)[NH2+]1 ZINC001246889541 988659469 /nfs/dbraw/zinc/65/94/69/988659469.db2.gz FFKKLSSQLVQVNM-BTTYYORXSA-N 2 0 241.423 1.837 20 0 BDADRP CCC[C@H]1CN([C@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC001246896722 988661375 /nfs/dbraw/zinc/66/13/75/988661375.db2.gz AETMTNKRFGCKGL-STQMWFEESA-N 2 0 225.380 1.202 20 0 BDADRP CCC1([NH3+])CN([C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)C1 ZINC001246902595 988673253 /nfs/dbraw/zinc/67/32/53/988673253.db2.gz UCPIMDDWXKVAHK-NWDGAFQWSA-N 2 0 239.407 1.576 20 0 BDADRP CN([C@H]1CCC[NH2+]CC1)[C@]1(C)CCC[NH2+]C1 ZINC001246909430 988689931 /nfs/dbraw/zinc/68/99/31/988689931.db2.gz IQLOZHNHGGIBCD-QWHCGFSZSA-N 2 0 225.380 1.202 20 0 BDADRP C[C@@H]1CC(N(C)[C@@]2(C)CCC[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC001246913704 988693853 /nfs/dbraw/zinc/69/38/53/988693853.db2.gz RTAODBYVFLNEBO-BZPMIXESSA-N 2 0 239.407 1.589 20 0 BDADRP C[C@H]1C[C@@H](N(C)[C@@]2(C)CCC[NH2+]C2)CC[NH2+]1 ZINC001246913569 988694436 /nfs/dbraw/zinc/69/44/36/988694436.db2.gz RCCIQNUFONUSKN-AVGNSLFASA-N 2 0 225.380 1.201 20 0 BDADRP CCCC[C@@H]1CN([C@@H]2C[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC001246912142 988699417 /nfs/dbraw/zinc/69/94/17/988699417.db2.gz BYDXZZFHYABUFO-XQQFMLRXSA-N 2 0 225.380 1.201 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N1C[C@@H]2C[NH2+]C[C@H]21 ZINC001246915586 988706111 /nfs/dbraw/zinc/70/61/11/988706111.db2.gz GXJALRZKGKIXTC-RWMBFGLXSA-N 2 0 225.380 1.010 20 0 BDADRP CC(C)[N@H+](C)[C@@H]1CCN(C2CC[NH2+]CC2)C1 ZINC001246916069 988717315 /nfs/dbraw/zinc/71/73/15/988717315.db2.gz XFKRJSAEQOTIBM-CYBMUJFWSA-N 2 0 225.380 1.153 20 0 BDADRP CCC[C@@H]1C[NH2+]CCN1[C@@H]1CC[NH2+][C@@H](CC)C1 ZINC001246917325 988717931 /nfs/dbraw/zinc/71/79/31/988717931.db2.gz FTRXRUPTYLKSRM-BFHYXJOUSA-N 2 0 239.407 1.591 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N2CCC[C@@H]2C[NH3+])CC[NH2+]1 ZINC001246918879 988732801 /nfs/dbraw/zinc/73/28/01/988732801.db2.gz YCFJMRAGSGFDAH-XQQFMLRXSA-N 2 0 225.380 1.186 20 0 BDADRP CC[C@H]1CC(N2C[C@@H]3C[NH2+][C@@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246934247 988758754 /nfs/dbraw/zinc/75/87/54/988758754.db2.gz SUCWOAKGXWSKET-ZJQBRPOHSA-N 2 0 237.391 1.199 20 0 BDADRP CCCN([C@@H]1CC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246939872 988765942 /nfs/dbraw/zinc/76/59/42/988765942.db2.gz HQKKDPILRHEXCX-RBKKPWLPSA-N 2 0 237.391 1.343 20 0 BDADRP CCC[C@@H]1C[NH2+]CCN1C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246935983 988766494 /nfs/dbraw/zinc/76/64/94/988766494.db2.gz WDSSPPQPLFGKGV-JHJVBQTASA-N 2 0 239.407 1.589 20 0 BDADRP CCOCC[C@@H](C)[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246939796 988770027 /nfs/dbraw/zinc/77/00/27/988770027.db2.gz HFASLDCLBDJPFG-MCIONIFRSA-N 2 0 240.391 1.733 20 0 BDADRP CCCN(CCC[NH+](C)C)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246937898 988770089 /nfs/dbraw/zinc/77/00/89/988770089.db2.gz CVXRVYOPVHTCPJ-UONOGXRCSA-N 2 0 241.423 1.791 20 0 BDADRP CC[C@H]1C[C@H](N2C[C@H](C)[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC001246943632 988773180 /nfs/dbraw/zinc/77/31/80/988773180.db2.gz MXBUCWZZUNDURY-ZDEQEGDKSA-N 2 0 225.380 1.199 20 0 BDADRP C[C@H]1CC(N(C2CC2)[C@@H]2CC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC001246970248 988799109 /nfs/dbraw/zinc/79/91/09/988799109.db2.gz YMNPNUNTGAPMSW-GMXVVIOVSA-N 2 0 237.391 1.342 20 0 BDADRP C[NH2+]CC[C@@H](C)N(C1CCC1)C1CC[NH2+]CC1 ZINC001246971945 988799308 /nfs/dbraw/zinc/79/93/08/988799308.db2.gz AYOFFTFWUIUKGR-GFCCVEGCSA-N 2 0 239.407 1.591 20 0 BDADRP CCCN(C[C@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC001246977015 988802816 /nfs/dbraw/zinc/80/28/16/988802816.db2.gz RFTOFTMPCDOYHU-STQMWFEESA-N 2 0 225.380 1.060 20 0 BDADRP CC[C@H]([NH3+])CN(C)[C@@H](C)Cc1ccncc1 ZINC001246974318 988804212 /nfs/dbraw/zinc/80/42/12/988804212.db2.gz PLVDFJIYVHEKHH-AAEUAGOBSA-N 2 0 221.348 1.682 20 0 BDADRP CCCN(C[C@H]1CC[NH2+]C1)[C@H]1CCCC[NH2+]C1 ZINC001246973890 988806353 /nfs/dbraw/zinc/80/63/53/988806353.db2.gz JAUDEXSPOVAICZ-KBPBESRZSA-N 2 0 239.407 1.450 20 0 BDADRP C1=C2NCC[N@@H+]([C@H]3CCC4(C[NH2+]C4)C3)[C@@H]2CCC1 ZINC001246991454 988825107 /nfs/dbraw/zinc/82/51/07/988825107.db2.gz BAVRKVQZCGBKNJ-GXTWGEPZSA-N 2 0 247.386 1.470 20 0 BDADRP C1=C2[NH2+]CCN([C@H]3CCCC[NH2+]C3)[C@@H]2CCC1 ZINC001246997173 988827828 /nfs/dbraw/zinc/82/78/28/988827828.db2.gz RBZSTEMEONGNJN-GXTWGEPZSA-N 2 0 235.375 1.470 20 0 BDADRP CC[N@@H+]1CCN([C@H]2CC[C@H](C)[NH2+]C2)C(C)(C)C1 ZINC001246996250 988829108 /nfs/dbraw/zinc/82/91/08/988829108.db2.gz WSHLPLDFTKJRBW-STQMWFEESA-N 2 0 239.407 1.543 20 0 BDADRP CC[C@@H]1C[C@H](N2C[C@@H]([NH3+])C[C@H]2C)C[C@H](CC)[NH2+]1 ZINC001246997495 988832724 /nfs/dbraw/zinc/83/27/24/988832724.db2.gz NEGCNWOSJZJUEI-BJJPWKGXSA-N 2 0 239.407 1.717 20 0 BDADRP C1=C2[NH2+]CCN([C@H]3CCC[NH2+]C3)[C@H]2CCC1 ZINC001246998464 988833162 /nfs/dbraw/zinc/83/31/62/988833162.db2.gz XFZFOXMFKHVERG-AAEUAGOBSA-N 2 0 221.348 1.080 20 0 BDADRP Cc1nccnc1[C@@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC001119090450 988833435 /nfs/dbraw/zinc/83/34/35/988833435.db2.gz BQUBJHRQJZBNSV-PNESKVBLSA-N 2 0 248.374 1.953 20 0 BDADRP Cc1nccnc1[C@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC001119090449 988833654 /nfs/dbraw/zinc/83/36/54/988833654.db2.gz BQUBJHRQJZBNSV-HIFPTAJRSA-N 2 0 248.374 1.953 20 0 BDADRP C1=C2[NH2+]CCN([C@@H]3CCC[NH2+]C3)[C@@H]2CCC1 ZINC001246998467 988833987 /nfs/dbraw/zinc/83/39/87/988833987.db2.gz XFZFOXMFKHVERG-DGCLKSJQSA-N 2 0 221.348 1.080 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)CC[NH2+]1 ZINC001247000846 988834001 /nfs/dbraw/zinc/83/40/01/988834001.db2.gz HCJYAXDEXOKGLS-XQHKEYJVSA-N 2 0 236.359 1.428 20 0 BDADRP CC[N@@H+]1CC[C@H](N2CC[C@@H]3[NH2+]CCC[C@H]3C2)C1 ZINC001247005140 988834608 /nfs/dbraw/zinc/83/46/08/988834608.db2.gz GERRHROTXWKCAJ-IHRRRGAJSA-N 2 0 237.391 1.155 20 0 BDADRP C[NH2+]CC[C@H](C)N1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001247015215 988839447 /nfs/dbraw/zinc/83/94/47/988839447.db2.gz NKSVDEPEYAEMMP-AVGNSLFASA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H]1C[C@H](N2CC[C@H]3[NH2+]CCC[C@@H]3C2)CCO1 ZINC001247017129 988843641 /nfs/dbraw/zinc/84/36/41/988843641.db2.gz ZVSNLINUDRTWSX-AAVRWANBSA-N 2 0 238.375 1.628 20 0 BDADRP [NH3+]Cc1nc2cc(F)ccc2n1C1CC[NH2+]CC1 ZINC001247026009 988843852 /nfs/dbraw/zinc/84/38/52/988843852.db2.gz HOUXAPGHUYCMKG-UHFFFAOYSA-N 2 0 248.305 1.559 20 0 BDADRP C[C@@H]1C[C@H](N2CC[C@@H]3[NH2+]CCC[C@@H]3C2)CC[NH2+]1 ZINC001247016373 988845337 /nfs/dbraw/zinc/84/53/37/988845337.db2.gz ULQSAIQAEUANAC-SYQHCUMBSA-N 2 0 237.391 1.201 20 0 BDADRP CC1(C)CCC[N@H+](CCNc2cc(N)ncn2)C1 ZINC001515704121 989102563 /nfs/dbraw/zinc/10/25/63/989102563.db2.gz XDCKCXUAWRZELM-UHFFFAOYSA-N 2 0 249.362 1.593 20 0 BDADRP C[NH2+][C@@H](C)CC[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001119545565 989150719 /nfs/dbraw/zinc/15/07/19/989150719.db2.gz ZVFDJIOVGQFKRY-WODVXLOZSA-N 3 0 225.380 1.105 20 0 BDADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)CCCC[NH3+])C1 ZINC001325719217 989237869 /nfs/dbraw/zinc/23/78/69/989237869.db2.gz VWBFDMRNCKPYQQ-KBPBESRZSA-N 2 0 241.423 1.825 20 0 BDADRP CC[N@@H+]1CCC[C@H](CN[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC001325718169 989238421 /nfs/dbraw/zinc/23/84/21/989238421.db2.gz QQENGEMTFHJQIE-FRRDWIJNSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@H]1COC[C@@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC001119632166 989261639 /nfs/dbraw/zinc/26/16/39/989261639.db2.gz NQBVRNRPVQCDLM-XKGSQUFQSA-N 2 0 212.337 1.128 20 0 BDADRP C[NH2+]C[C@H](C)CN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC001119631307 989266253 /nfs/dbraw/zinc/26/62/53/989266253.db2.gz RSIXNTOAMKBOGZ-QJPTWQEYSA-N 2 0 227.396 1.338 20 0 BDADRP CC[N@@H+]1CCC[C@H](CN[C@H](C)C[C@H](C)[NH3+])C1 ZINC001326036497 989336187 /nfs/dbraw/zinc/33/61/87/989336187.db2.gz HRGSPGCTVHUCRU-YNEHKIRRSA-N 2 0 227.396 1.434 20 0 BDADRP CCN(CC)C(=O)C[C@H](C)[NH2+]CC[C@@H](C)[NH2+]C ZINC001326036307 989338531 /nfs/dbraw/zinc/33/85/31/989338531.db2.gz PAJJKMRZHQVQBM-NEPJUHHUSA-N 2 0 243.395 1.221 20 0 BDADRP Cc1ncc(CN2CCN(c3ncc[nH]3)CC2)o1 ZINC001119770585 989389026 /nfs/dbraw/zinc/38/90/26/989389026.db2.gz BVFNOZOEODMHEO-UHFFFAOYSA-N 2 0 247.302 1.028 20 0 BDADRP CC[C@H](CO)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC001119852919 989446864 /nfs/dbraw/zinc/44/68/64/989446864.db2.gz YSHZNXNWPYSSCS-NEPJUHHUSA-N 2 0 214.353 1.173 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)C[NH2+]CC(C)C)cc1 ZINC001326306275 989483756 /nfs/dbraw/zinc/48/37/56/989483756.db2.gz PTSSFTQVKYZQMN-UHFFFAOYSA-N 2 0 249.358 1.590 20 0 BDADRP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](CC(C)(C)[NH3+])C[C@H]2C1 ZINC001120269337 989623989 /nfs/dbraw/zinc/62/39/89/989623989.db2.gz QCTKZWNISAAZRL-YNEHKIRRSA-N 3 0 239.407 1.386 20 0 BDADRP C[NH2+][C@H](C)CCNC(=O)[C@@](C)(C[NH3+])CC(C)C ZINC001120547522 989712747 /nfs/dbraw/zinc/71/27/47/989712747.db2.gz YFHAYLYWVNAAKQ-DGCLKSJQSA-N 2 0 243.395 1.112 20 0 BDADRP CC(C)CC[C@@H](O)C[NH2+]CCCC[NH+](C)C ZINC001120574398 989744422 /nfs/dbraw/zinc/74/44/22/989744422.db2.gz YSASNLVOERHSHY-CYBMUJFWSA-N 2 0 230.396 1.715 20 0 BDADRP CC[N@H+](C)C[C@@H]1CCN(c2cc[nH+]cc2)C1 ZINC001120855504 989923943 /nfs/dbraw/zinc/92/39/43/989923943.db2.gz NKYOZKRHQFOHHM-LBPRGKRZSA-N 2 0 219.332 1.860 20 0 BDADRP CC[N@@H+]1CCC[C@@H](CNc2cc[nH+]cc2)C1 ZINC001120864835 989933412 /nfs/dbraw/zinc/93/34/12/989933412.db2.gz PFLJGEWOVVTPRL-LBPRGKRZSA-N 2 0 219.332 1.647 20 0 BDADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccccc1C[NH3+] ZINC001523617914 989939548 /nfs/dbraw/zinc/93/95/48/989939548.db2.gz YFXLOECYIKFNQH-NWDGAFQWSA-N 2 0 247.342 1.472 20 0 BDADRP C[C@@H](CCCC[NH3+])NC(=O)C[C@H]([NH3+])C(C)(C)C ZINC001122022387 990190465 /nfs/dbraw/zinc/19/04/65/990190465.db2.gz RUQROQDHVVFAPK-QWRGUYRKSA-N 2 0 243.395 1.384 20 0 BDADRP C[NH2+]CCCCC(=O)Nc1ccc(C[NH2+]C)cc1 ZINC001122022211 990192409 /nfs/dbraw/zinc/19/24/09/990192409.db2.gz FNLMIORYDMUHEV-UHFFFAOYSA-N 2 0 249.358 1.734 20 0 BDADRP C[C@@H](C[NH3+])C(=O)N1C[C@@H](CC[NH3+])c2ccccc21 ZINC001122110712 990243239 /nfs/dbraw/zinc/24/32/39/990243239.db2.gz WSHRKPCVKDVMAW-WDEREUQCSA-N 2 0 247.342 1.060 20 0 BDADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccccc1C[NH3+] ZINC001122346110 990350551 /nfs/dbraw/zinc/35/05/51/990350551.db2.gz HOBWNANIYCXCPI-KOLCDFICSA-N 2 0 233.315 1.082 20 0 BDADRP CCOC(=O)CCC[C@H](C)[NH2+]CCC[NH+](C)C ZINC001258098507 991004669 /nfs/dbraw/zinc/00/46/69/991004669.db2.gz XEFQYQQMFGPGNZ-LBPRGKRZSA-N 2 0 244.379 1.650 20 0 BDADRP C[C@H](Cc1ccco1)NC(=[NH2+])NCCCC[NH3+] ZINC001258177971 991077984 /nfs/dbraw/zinc/07/79/84/991077984.db2.gz BCDDAUPSDOUUNO-SNVBAGLBSA-N 2 0 238.335 1.063 20 0 BDADRP CCN1CCC[C@H]([NH2+]CCC[C@@H]2CCOC2)C1 ZINC001308765603 991125358 /nfs/dbraw/zinc/12/53/58/991125358.db2.gz OHVZJLXBHPOADD-KGLIPLIRSA-N 2 0 240.391 1.877 20 0 BDADRP CSCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC001258212313 991132052 /nfs/dbraw/zinc/13/20/52/991132052.db2.gz FVDLZWMIWZFDSH-LPEHRKFASA-N 2 0 202.367 1.597 20 0 BDADRP CC[C@@H](COC)[NH2+]C[C@@H]1C[NH+]2CCC1CC2 ZINC001308966625 991241442 /nfs/dbraw/zinc/24/14/42/991241442.db2.gz WGONLOSLQILBBK-OLZOCXBDSA-N 2 0 226.364 1.343 20 0 BDADRP Cc1cnccc1C[NH2+]C[C@H]1C[NH+]2CCC1CC2 ZINC001308965349 991241458 /nfs/dbraw/zinc/24/14/58/991241458.db2.gz FZYFWBKGKDTGTF-HNNXBMFYSA-N 2 0 245.370 1.821 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12)[C@@H]1CCCO1 ZINC001308984904 991253124 /nfs/dbraw/zinc/25/31/24/991253124.db2.gz QFHXKHLBJGQZKT-VJTDZRGJSA-N 2 0 238.375 1.484 20 0 BDADRP CSC(C)(C)C[C@@H](C)[NH2+]C1CC([NH3+])C1 ZINC001258335495 991259054 /nfs/dbraw/zinc/25/90/54/991259054.db2.gz YZSCSNIOBFRBDQ-XNWIYYODSA-N 2 0 216.394 1.986 20 0 BDADRP CCOC(=O)CC[C@@H](C)[NH2+]CCCC[NH3+] ZINC001258476675 991450309 /nfs/dbraw/zinc/45/03/09/991450309.db2.gz UNDOJNFKRAMDEV-SNVBAGLBSA-N 2 0 216.325 1.047 20 0 BDADRP C[C@H](Cc1cccnc1)[NH2+]C[C@@H]1CC[N@H+](C)C1 ZINC001258610519 991529553 /nfs/dbraw/zinc/52/95/53/991529553.db2.gz OZQNXABLQBMXBY-OCCSQVGLSA-N 2 0 233.359 1.554 20 0 BDADRP C[C@@H](Cc1cccnc1)[NH2+]C[C@H]1CC[N@H+](C)C1 ZINC001258610517 991531737 /nfs/dbraw/zinc/53/17/37/991531737.db2.gz OZQNXABLQBMXBY-GXTWGEPZSA-N 2 0 233.359 1.554 20 0 BDADRP CO[C@@H](C)C[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC001560750959 991590202 /nfs/dbraw/zinc/59/02/02/991590202.db2.gz MJGXLYIAFAYWEZ-STQMWFEESA-N 2 0 228.380 1.875 20 0 BDADRP CC[NH+]1CCC(C[NH2+]CC[C@@H](C)[NH+](C)C)CC1 ZINC001560951380 991666544 /nfs/dbraw/zinc/66/65/44/991666544.db2.gz GFYZSKUAGUMZCN-CYBMUJFWSA-N 3 0 241.423 1.648 20 0 BDADRP CC[N@H+](CCNC(=O)C[NH2+]C(C)(C)C)C(C)C ZINC001318499646 991667988 /nfs/dbraw/zinc/66/79/88/991667988.db2.gz NHKUOHIZKCIPGS-UHFFFAOYSA-N 2 0 243.395 1.221 20 0 BDADRP C[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCOCC2)C1 ZINC000083425399 991673853 /nfs/dbraw/zinc/67/38/53/991673853.db2.gz IXMFTOIYPANSFW-VXGBXAGGSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@H](Cc1cccc(Cl)c1)[NH2+]C[C@H](O)C[NH3+] ZINC001258739357 991689521 /nfs/dbraw/zinc/68/95/21/991689521.db2.gz XLJLRNSEXHGIAZ-BXKDBHETSA-N 2 0 242.750 1.180 20 0 BDADRP CCC(=O)Nc1c[nH+]ccc1-n1ccnc1C ZINC001318818217 991719407 /nfs/dbraw/zinc/71/94/07/991719407.db2.gz CEPPIEVPXRGDHT-UHFFFAOYSA-N 2 0 230.271 1.924 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@H]2CCO2)CC1 ZINC001258766459 991723420 /nfs/dbraw/zinc/72/34/20/991723420.db2.gz VATGYZGZXKLCHD-GFCCVEGCSA-N 2 0 212.337 1.239 20 0 BDADRP CCC[NH+]1CCC(n2ccnc2C[NH3+])CC1 ZINC001258768018 991733159 /nfs/dbraw/zinc/73/31/59/991733159.db2.gz UQGLTCFWSYWFQB-UHFFFAOYSA-N 2 0 222.336 1.389 20 0 BDADRP CCC[NH+]1CCC(Nc2nccnc2C[NH3+])CC1 ZINC001258769532 991733611 /nfs/dbraw/zinc/73/36/11/991733611.db2.gz SDVQBGHULUXTCH-UHFFFAOYSA-N 2 0 249.362 1.222 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CC(OC)C1 ZINC001258908100 991886895 /nfs/dbraw/zinc/88/68/95/991886895.db2.gz RGTHATZUWUMASG-LBPRGKRZSA-N 2 0 228.380 1.828 20 0 BDADRP CC[C@H](CO)[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC001258895400 991891063 /nfs/dbraw/zinc/89/10/63/991891063.db2.gz BASPEUWJEPLZFB-QWHCGFSZSA-N 2 0 230.396 1.857 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C(C)(C)CO ZINC001258896255 991891565 /nfs/dbraw/zinc/89/15/65/991891565.db2.gz JOTLIIGYZAWNES-LBPRGKRZSA-N 2 0 230.396 1.857 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1COC(=O)C1 ZINC001258900373 991894494 /nfs/dbraw/zinc/89/44/94/991894494.db2.gz KLJLUFGYHPEMCB-NEPJUHHUSA-N 2 0 242.363 1.402 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@](C)(O)C1 ZINC001258910382 991897891 /nfs/dbraw/zinc/89/78/91/991897891.db2.gz QTHWLJBEOSPPCK-KBPBESRZSA-N 2 0 242.407 1.954 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CC(N(C)C)C1 ZINC001258908108 991901473 /nfs/dbraw/zinc/90/14/73/991901473.db2.gz RKQRKJRQRUYGGC-ZDUSSCGKSA-N 2 0 241.423 1.743 20 0 BDADRP CC(C)[NH2+][C@H](CNC(=O)CC[NH+](C)C)C(C)C ZINC001568460747 992169889 /nfs/dbraw/zinc/16/98/89/992169889.db2.gz LVMTWHUYYGUWCH-GFCCVEGCSA-N 2 0 243.395 1.077 20 0 BDADRP CC[C@H](C(=O)N[C@@H](C)CC[NH2+]C(C)C)[NH+](C)C ZINC001320606426 992268662 /nfs/dbraw/zinc/26/86/62/992268662.db2.gz GLHANLGRHPSRFP-NWDGAFQWSA-N 2 0 243.395 1.219 20 0 BDADRP CC[C@@H](C)NC(=[NH2+])NC[C@H]1CCC[N@H+](CC)C1 ZINC001261566657 992389018 /nfs/dbraw/zinc/38/90/18/992389018.db2.gz VBJWZHKWJXHBSJ-VXGBXAGGSA-N 2 0 240.395 1.631 20 0 BDADRP CC(C)([NH2+]C[C@@]1(O)CCC[NH2+]C1)c1ccccc1 ZINC001573484703 992579788 /nfs/dbraw/zinc/57/97/88/992579788.db2.gz PCJSOWDRWTXRBX-OAHLLOKOSA-N 2 0 248.370 1.626 20 0 BDADRP COC1(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)CCC1 ZINC001262012191 992600451 /nfs/dbraw/zinc/60/04/51/992600451.db2.gz NYELIDKHUZHIKJ-STQMWFEESA-N 2 0 238.375 1.582 20 0 BDADRP CCC[N@H+](C)CC(=O)N1CCC([NH3+])(CC)CC1 ZINC001262044397 992630132 /nfs/dbraw/zinc/63/01/32/992630132.db2.gz GEMLYSMNQWYAKB-UHFFFAOYSA-N 2 0 241.379 1.058 20 0 BDADRP Cc1cccc([C@@H](O)C[NH+]2CCC(C[NH3+])CC2)c1 ZINC001574164813 992813691 /nfs/dbraw/zinc/81/36/91/992813691.db2.gz WFWNHSZKASVMQM-HNNXBMFYSA-N 2 0 248.370 1.699 20 0 BDADRP COC(=O)c1cccc(C[NH2+]C2CC([NH3+])C2)c1 ZINC001262493368 992898030 /nfs/dbraw/zinc/89/80/30/992898030.db2.gz CHAUHKIHSPNDPV-UHFFFAOYSA-N 2 0 234.299 1.053 20 0 BDADRP C([NH2+][C@H]1CC[NH2+]C12CCC2)C1CSC1 ZINC001574796535 992911694 /nfs/dbraw/zinc/91/16/94/992911694.db2.gz XVXBYAMGDNFDDE-JTQLQIEISA-N 2 0 212.362 1.224 20 0 BDADRP C1C[C@@]2(C[NH2+]1)CCCC[N@@H+]([C@@H]1CCOC1)C2 ZINC001574801086 992912695 /nfs/dbraw/zinc/91/26/95/992912695.db2.gz NCRIOGFGOSLOBZ-CHWSQXEVSA-N 2 0 224.348 1.241 20 0 BDADRP C([NH2+][C@@H]1C[C@@H]2CCC[C@H]12)[C@@H]1C[NH2+]CCCO1 ZINC001574801076 992913363 /nfs/dbraw/zinc/91/33/63/992913363.db2.gz NBVIHPHLCCYPEG-ZDEQEGDKSA-N 2 0 224.348 1.143 20 0 BDADRP C1C[C@@H]2[NH2+][C@H]1C[C@H]2[NH2+][C@@H]1CCCOCC1 ZINC001574817349 992920915 /nfs/dbraw/zinc/92/09/15/992920915.db2.gz ZDZFSDDWAXLUSB-WISYIIOYSA-N 2 0 210.321 1.038 20 0 BDADRP C=Cn1cc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cn1 ZINC001574962266 992948036 /nfs/dbraw/zinc/94/80/36/992948036.db2.gz IIYDQQZEJBMDOO-DGCLKSJQSA-N 2 0 234.347 1.400 20 0 BDADRP CC(C)(C[NH3+])C[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC001575315622 993011556 /nfs/dbraw/zinc/01/15/56/993011556.db2.gz TWMMBFSUWXIJKW-CHWSQXEVSA-N 2 0 234.343 1.219 20 0 BDADRP CC(C)[C@H](C[NH3+])C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001575422873 993040760 /nfs/dbraw/zinc/04/07/60/993040760.db2.gz NSWVZKFVWTVERJ-YIYPIFLZSA-N 3 0 239.407 1.147 20 0 BDADRP CC(C)[C@H](C[NH3+])C[NH2+]C[C@H](CO)CC1CC1 ZINC001575422271 993041300 /nfs/dbraw/zinc/04/13/00/993041300.db2.gz GZLKZWSRQWWCCX-CHWSQXEVSA-N 2 0 228.380 1.216 20 0 BDADRP CC(C)[C@@H](C[NH2+]CC1(O)CNC1)c1ccccc1 ZINC001575435713 993045160 /nfs/dbraw/zinc/04/51/60/993045160.db2.gz WBTYKNGUURKLNH-CQSZACIVSA-N 2 0 248.370 1.350 20 0 BDADRP CC(C)C[C@H](C[NH3+])NC(=O)C1([NH3+])CCCCC1 ZINC001263025602 993094371 /nfs/dbraw/zinc/09/43/71/993094371.db2.gz KHYYYOWBNQNFPP-LLVKDONJSA-N 2 0 241.379 1.138 20 0 BDADRP CC(C)N(C)C[C@@H](C)[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001575689578 993096873 /nfs/dbraw/zinc/09/68/73/993096873.db2.gz RLJPEBRGQHUCPZ-IGJPJIBNSA-N 2 0 225.380 1.185 20 0 BDADRP CC(C)OC(=O)[C@@H](C)[N@H+](C)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001575738220 993100854 /nfs/dbraw/zinc/10/08/54/993100854.db2.gz SEJKQRKQTRYIIU-GRYCIOLGSA-N 2 0 242.363 1.386 20 0 BDADRP CC(C)O[C@H]1C[C@@H]([NH2+]C2CC3(C[C@H]3[NH3+])C2)C1 ZINC001575799254 993107080 /nfs/dbraw/zinc/10/70/80/993107080.db2.gz RDAYDUHQBMIFJZ-NQLXBKOGSA-N 2 0 224.348 1.412 20 0 BDADRP CC(C)[C@H](CO)[NH2+]C1CCC(C[NH3+])CC1 ZINC001575831316 993110978 /nfs/dbraw/zinc/11/09/78/993110978.db2.gz KHSHPWIASYLDTJ-MCIGGMRASA-N 2 0 214.353 1.110 20 0 BDADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001263107157 993119408 /nfs/dbraw/zinc/11/94/08/993119408.db2.gz PGBFAMSSXDYJFE-YFKTTZPYSA-N 2 0 241.379 1.007 20 0 BDADRP CC(C)C[C@](C)(C[NH3+])C(=O)N[C@@H](C)CCC[NH3+] ZINC001263108922 993119642 /nfs/dbraw/zinc/11/96/42/993119642.db2.gz KAVZMNXSMUMIRD-WCQYABFASA-N 2 0 243.395 1.241 20 0 BDADRP C[C@H](C[C@@H]1CCOC1)[NH2+]CC1CC[NH2+]CC1 ZINC001575941176 993132827 /nfs/dbraw/zinc/13/28/27/993132827.db2.gz LFXXYSFNHZNBOT-YPMHNXCESA-N 2 0 226.364 1.391 20 0 BDADRP C[C@H](CC[NH3+])[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC001575962352 993141088 /nfs/dbraw/zinc/14/10/88/993141088.db2.gz PUVHYXULYNBYRX-KISRQWFGSA-N 2 0 224.348 1.127 20 0 BDADRP C[C@@H](C[NH2+]C[C@H](N)CC(F)F)Cn1ccnc1 ZINC001576032532 993162873 /nfs/dbraw/zinc/16/28/73/993162873.db2.gz GPTNRERZTUNFGT-VHSXEESVSA-N 3 0 246.305 1.091 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](C)[C@H]1COC(C)(C)O1 ZINC001576153274 993193391 /nfs/dbraw/zinc/19/33/91/993193391.db2.gz RKPLSSNWHAXUEN-LNFKQOIKSA-N 2 0 230.352 1.242 20 0 BDADRP CO[C@@H]1CCC[C@H]([N@@H+]2CCC[C@@H]([NH3+])CC2)C1 ZINC000378665151 993198483 /nfs/dbraw/zinc/19/84/83/993198483.db2.gz FPNRRQKTWLYURO-FRRDWIJNSA-N 2 0 226.364 1.757 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2cnnn2C)cc1 ZINC001576167787 993202987 /nfs/dbraw/zinc/20/29/87/993202987.db2.gz GKKSAEZRDUOFND-SNVBAGLBSA-N 2 0 245.330 1.125 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CC[C@@H]([NH3+])C1)[C@@H]1CCCOC1 ZINC001576243920 993229138 /nfs/dbraw/zinc/22/91/38/993229138.db2.gz GZPSWXSJZBELQE-YVECIDJPSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)[C@H]1COC(C)(C)O1 ZINC001576240476 993230923 /nfs/dbraw/zinc/23/09/23/993230923.db2.gz ZRFXFHMKXFTUNL-IJLUTSLNSA-N 2 0 242.363 1.258 20 0 BDADRP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@@H]1CCCOC1 ZINC001576251103 993233149 /nfs/dbraw/zinc/23/31/49/993233149.db2.gz JXWYRRHPYOPFKK-KVSVUVNWSA-N 2 0 224.348 1.284 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])[C@H]1COC(C)(C)O1 ZINC001576252095 993233927 /nfs/dbraw/zinc/23/39/27/993233927.db2.gz PJOWMAYFJDQZKP-IRCOFANPSA-N 2 0 242.363 1.386 20 0 BDADRP C[C@@](O)(C[NH3+])C[N@H+](CCC1CC1)CC1CC1 ZINC001576259486 993239193 /nfs/dbraw/zinc/23/91/93/993239193.db2.gz PXLJTWVUJAWAOT-CYBMUJFWSA-N 2 0 226.364 1.208 20 0 BDADRP CC1(C)CCC[C@@]1(O)C[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001576426425 993298674 /nfs/dbraw/zinc/29/86/74/993298674.db2.gz HIIBTPJRNFFJGN-JNOYHGBFSA-N 2 0 238.375 1.397 20 0 BDADRP CC1(C)CC[C@@H](O)[C@H]([NH2+]C2CC3(C[C@H]3[NH3+])C2)C1 ZINC001576446227 993307179 /nfs/dbraw/zinc/30/71/79/993307179.db2.gz NDWXMERNHNVKNK-XNDMDBMLSA-N 2 0 238.375 1.395 20 0 BDADRP CC1(C)OC[C@H](C[NH2+]C2(C[NH3+])CCCCC2)O1 ZINC001576495078 993321240 /nfs/dbraw/zinc/32/12/40/993321240.db2.gz KAJMFFJBQXNUPA-NSHDSACASA-N 2 0 242.363 1.389 20 0 BDADRP C[C@]1(C[N@@H+]2CC[C@H](C[NH3+])C2)CCCCO1 ZINC001576504001 993325683 /nfs/dbraw/zinc/32/56/83/993325683.db2.gz ZYJIZVINHGJVNC-VXGBXAGGSA-N 2 0 212.337 1.226 20 0 BDADRP C[C@]1(C[NH2+]CC2C[NH2+]C2)COc2ccccc2O1 ZINC001576520128 993331402 /nfs/dbraw/zinc/33/14/02/993331402.db2.gz YVHIRKNKKJAKRX-AWEZNQCLSA-N 2 0 248.326 1.026 20 0 BDADRP C[C@]1(C[NH2+]CC2([NH3+])CCOCC2)CCCCO1 ZINC001576518842 993331589 /nfs/dbraw/zinc/33/15/89/993331589.db2.gz HTBJOHCEQFIUBM-GFCCVEGCSA-N 2 0 242.363 1.043 20 0 BDADRP C[C@@H]1[C@@H](CO)CC[N@@H+]1C[C@@]1(C)CCC[NH2+]C1 ZINC001576572307 993348962 /nfs/dbraw/zinc/34/89/62/993348962.db2.gz KOCRCHYSYNXENY-UPJWGTAASA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H]1CC(C)(C)C[N@@H+]1C[C@]1(O)CCC[NH2+]C1 ZINC001576589505 993358875 /nfs/dbraw/zinc/35/88/75/993358875.db2.gz QJBNKDTYSZBBGZ-YPMHNXCESA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN[C@H](C[NH3+])C2CC2)C1 ZINC001576590904 993360698 /nfs/dbraw/zinc/36/06/98/993360698.db2.gz DGSFHWAORBPTMC-MBNYWOFBSA-N 2 0 239.407 1.291 20 0 BDADRP C[C@H]1C[C@@H](C[N@H+](C)CC2CC[NH2+]CC2)CCO1 ZINC001576597093 993360946 /nfs/dbraw/zinc/36/09/46/993360946.db2.gz DIOLORHEFLMEAE-JSGCOSHPSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN[C@@H](C[NH3+])C2CC2)C1 ZINC001576590906 993361743 /nfs/dbraw/zinc/36/17/43/993361743.db2.gz DGSFHWAORBPTMC-SCRDCRAPSA-N 2 0 239.407 1.291 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]([NH3+])Cc2ccccc2)CO1 ZINC001576622103 993372674 /nfs/dbraw/zinc/37/26/74/993372674.db2.gz AIRNNVRNZYDDMR-BPLDGKMQSA-N 2 0 248.370 1.714 20 0 BDADRP C[C@H]1C[C@@H](N[C@]23CCC[C@H]2[NH2+]CC3)CC[N@@H+]1C ZINC001576622184 993372906 /nfs/dbraw/zinc/37/29/06/993372906.db2.gz AVFAORAMTVDTIH-FQUUOJAGSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C2CC3(CC([NH3+])C3)C2)CCO1 ZINC001576623997 993373047 /nfs/dbraw/zinc/37/30/47/993373047.db2.gz OEAPVRHWPIDYPI-BSOHTCKCSA-N 2 0 224.348 1.413 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)[C@@H](C)O1 ZINC001576623727 993373060 /nfs/dbraw/zinc/37/30/60/993373060.db2.gz MNIXROADKXUCFV-DDHJBXDOSA-N 2 0 212.337 1.142 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[NH2+]CC2)[C@H](C)O1 ZINC001576622895 993373508 /nfs/dbraw/zinc/37/35/08/993373508.db2.gz HVLZRJFJBIMETI-RFGFWPKPSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]1C[C@H]1C[NH2+]Cc1ccc(N2CC[NH2+]CC2)o1 ZINC001576634999 993380373 /nfs/dbraw/zinc/38/03/73/993380373.db2.gz OIACBJXEVQACOI-NEPJUHHUSA-N 2 0 249.358 1.435 20 0 BDADRP C[C@H]1CCC[C@@H]1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC001576681775 993392956 /nfs/dbraw/zinc/39/29/56/993392956.db2.gz NGEVARSRVMXKIU-GMKTYKIGSA-N 2 0 208.349 1.764 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@]2(O)CC[NH2+]C2)CC1(C)C ZINC001576729688 993407765 /nfs/dbraw/zinc/40/77/65/993407765.db2.gz WCTPPPJWXGEMAD-DGCLKSJQSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C[C@H]1O ZINC001576729686 993408392 /nfs/dbraw/zinc/40/83/92/993408392.db2.gz VZVYCZBQXICMQA-UPJWGTAASA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@H]2CCCC[NH2+]C2)C[C@@H]1O ZINC001576729709 993410025 /nfs/dbraw/zinc/41/00/25/993410025.db2.gz WOOFAFUXVZMJER-AGIUHOORSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H]1C[N@H+](C[C@]2(C)CCCCO2)CC[C@H]1[NH3+] ZINC001576801701 993428650 /nfs/dbraw/zinc/42/86/50/993428650.db2.gz UCVJAIKDISDKTQ-UPJWGTAASA-N 2 0 226.364 1.615 20 0 BDADRP C/C=C/C[C@H](CO)[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC001576914764 993447830 /nfs/dbraw/zinc/44/78/30/993447830.db2.gz NGOIACOOZCYFJS-OXMQDWPZSA-N 2 0 212.337 1.029 20 0 BDADRP CC[C@](C)(C[NH2+]C1CC2(C[C@@H]2[NH3+])C1)OC ZINC001576948952 993462471 /nfs/dbraw/zinc/46/24/71/993462471.db2.gz BBPYMXBKZCIBFZ-LVFLEHKBSA-N 2 0 212.337 1.271 20 0 BDADRP CC[C@](C)(O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC001576959628 993469150 /nfs/dbraw/zinc/46/91/50/993469150.db2.gz HECOHDDBUZFRTI-LBPRGKRZSA-N 2 0 226.364 1.223 20 0 BDADRP CC[C@H](C[C@H](C)O)[NH2+]CCC1([NH3+])CCOCC1 ZINC001577043281 993484204 /nfs/dbraw/zinc/48/42/04/993484204.db2.gz FGUUQZZEHAWVGG-NWDGAFQWSA-N 2 0 244.379 1.024 20 0 BDADRP CCC(CC)(C[NH3+])C[NH2+][C@H](C)CC(C)(C)O ZINC001577052158 993489757 /nfs/dbraw/zinc/48/97/57/993489757.db2.gz KOEDWZPLCOPFHJ-LLVKDONJSA-N 2 0 230.396 1.891 20 0 BDADRP CCC(CC)(C[NH3+])[NH2+]Cc1ccc(=O)[nH]c1 ZINC001577058777 993489872 /nfs/dbraw/zinc/48/98/72/993489872.db2.gz GYEXHEKNYIDEEI-UHFFFAOYSA-N 2 0 223.320 1.394 20 0 BDADRP CCC(CC)(C[NH3+])NC(=O)CC[NH2+]C(C)(C)C ZINC001577052168 993490396 /nfs/dbraw/zinc/49/03/96/993490396.db2.gz KXCGBAPIEWANCR-UHFFFAOYSA-N 2 0 243.395 1.398 20 0 BDADRP CCC(CC)(CC)[NH2+]C[C@@H](O)CC[NH3+] ZINC001577050130 993491479 /nfs/dbraw/zinc/49/14/79/993491479.db2.gz JYQTVZQFGKOXND-JTQLQIEISA-N 2 0 202.342 1.255 20 0 BDADRP CC[C@H](CNC[C@H]([NH3+])CC(F)F)[NH+]1CCCC1 ZINC001577088946 993497874 /nfs/dbraw/zinc/49/78/74/993497874.db2.gz HVODGLSQZPOREW-GHMZBOCLSA-N 2 0 249.349 1.433 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)[C@@H](C)CC[NH+](C)C ZINC001577107054 993505984 /nfs/dbraw/zinc/50/59/84/993505984.db2.gz KPGONFWHHGXZQR-NSHDSACASA-N 2 0 243.395 1.208 20 0 BDADRP CC[C@H]([NH3+])C[NH2+]C[C@@H](CC(C)C)OC ZINC001577124897 993517062 /nfs/dbraw/zinc/51/70/62/993517062.db2.gz WAOITDBHPLODSB-WDEREUQCSA-N 2 0 202.342 1.374 20 0 BDADRP CC[NH+](CC)C[C@@H](O)C[N@H+](CC1CC1)C(C)C ZINC000383810986 993520844 /nfs/dbraw/zinc/52/08/44/993520844.db2.gz VKAGTFJJICCJIL-CQSZACIVSA-N 2 0 242.407 1.810 20 0 BDADRP CC[NH+](CC)C[C@@H](O)C[NH+]1CCCCCCC1 ZINC000383969697 993530817 /nfs/dbraw/zinc/53/08/17/993530817.db2.gz KILOPGABBGVBBH-CQSZACIVSA-N 2 0 242.407 1.955 20 0 BDADRP CC[C@@H]([NH2+]C[C@]1(O)CC[NH2+]C1)C1CCCC1 ZINC001577176048 993532122 /nfs/dbraw/zinc/53/21/22/993532122.db2.gz QNXOEUGRTFWXNE-OLZOCXBDSA-N 2 0 226.364 1.269 20 0 BDADRP CCC(O)(CC)CC[NH2+]C1CC(CC[NH3+])C1 ZINC001577179278 993533019 /nfs/dbraw/zinc/53/30/19/993533019.db2.gz IBRWXAZBBFJKIB-UHFFFAOYSA-N 2 0 228.380 1.645 20 0 BDADRP CC[C@H]([NH2+]C[C@]1(O)CC[NH2+]C1)C1CCCC1 ZINC001577176050 993534862 /nfs/dbraw/zinc/53/48/62/993534862.db2.gz QNXOEUGRTFWXNE-STQMWFEESA-N 2 0 226.364 1.269 20 0 BDADRP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@H](C)C[C@@H]1C ZINC000384000675 993536294 /nfs/dbraw/zinc/53/62/94/993536294.db2.gz OLLAPCJVVJXYOE-IHRRRGAJSA-N 2 0 242.407 1.810 20 0 BDADRP CCC1(C)CCC([NH2+]CC2(O)CNC2)CC1 ZINC001577204794 993540138 /nfs/dbraw/zinc/54/01/38/993540138.db2.gz AUDOOAHCIRXWIZ-UHFFFAOYSA-N 2 0 226.364 1.269 20 0 BDADRP CCC1(C)CCC([NH2+]C[C@@]2(O)CC[NH2+]C2)CC1 ZINC001577205000 993542250 /nfs/dbraw/zinc/54/22/50/993542250.db2.gz GFLWWFLXHPSORO-JXQTWKCFSA-N 2 0 240.391 1.659 20 0 BDADRP CC[C@]1(C)CCC[C@H]1[NH2+]CCOCCC[NH3+] ZINC001577205348 993545785 /nfs/dbraw/zinc/54/57/85/993545785.db2.gz NQSPGACPBVFPOA-CHWSQXEVSA-N 2 0 228.380 1.910 20 0 BDADRP CC[C@]1(C)CCC[C@@H]1[NH2+]CCOCCC[NH3+] ZINC001577205350 993547652 /nfs/dbraw/zinc/54/76/52/993547652.db2.gz NQSPGACPBVFPOA-QWHCGFSZSA-N 2 0 228.380 1.910 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+][C@@H]2C)CCO1 ZINC001577242964 993554397 /nfs/dbraw/zinc/55/43/97/993554397.db2.gz YDVFORMEZZHWED-KKOKHZNYSA-N 2 0 212.337 1.284 20 0 BDADRP CCC[C@H](C)[C@H](CO)[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001577336195 993602787 /nfs/dbraw/zinc/60/27/87/993602787.db2.gz KYZCAYQZUNPICE-OBXMVCJZSA-N 2 0 226.364 1.253 20 0 BDADRP CCC[C@@H]([NH2+]C[C@@H](O)CC[NH3+])C1CCC1 ZINC001577365180 993616781 /nfs/dbraw/zinc/61/67/81/993616781.db2.gz AKCBVAABOMFWEH-NWDGAFQWSA-N 2 0 214.353 1.255 20 0 BDADRP CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C[NH2+]C ZINC001577418843 993658401 /nfs/dbraw/zinc/65/84/01/993658401.db2.gz FKLMDUSWWCVSBW-FRRDWIJNSA-N 2 0 228.380 1.515 20 0 BDADRP CCCC[N@H+](CCCO)C[C@@H]1C[NH2+]C[C@H]1C ZINC001577455163 993669091 /nfs/dbraw/zinc/66/90/91/993669091.db2.gz WOOIDMBXACSQRZ-OLZOCXBDSA-N 2 0 228.380 1.326 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)[C@@H](CC)[NH2+]C ZINC001577510173 993675683 /nfs/dbraw/zinc/67/56/83/993675683.db2.gz DULJRNRMPFNWCF-NWDGAFQWSA-N 2 0 243.395 1.221 20 0 BDADRP CCCN(CCC[NH+](C)C)C(=O)[C@@H]([NH3+])C(C)C ZINC001577519735 993676487 /nfs/dbraw/zinc/67/64/87/993676487.db2.gz UMCQOYBWNHCEFN-LBPRGKRZSA-N 2 0 243.395 1.160 20 0 BDADRP CCCN(C[C@@H]1CC[NH2+]C1)[C@@H](C)C(=O)OCC ZINC001577516276 993676543 /nfs/dbraw/zinc/67/65/43/993676543.db2.gz JWHAUYQTSAZUOV-NWDGAFQWSA-N 2 0 242.363 1.260 20 0 BDADRP CCCN(CC)C[C@H](C)[NH2+]C1CC(CC[NH3+])C1 ZINC001577510378 993676745 /nfs/dbraw/zinc/67/67/45/993676745.db2.gz MBNKUQMYHKWTEZ-HSBZDZAISA-N 2 0 241.423 1.824 20 0 BDADRP CCCN(CC[NH+](CC)CC)C(=O)C[NH2+]CC ZINC001577519695 993678039 /nfs/dbraw/zinc/67/80/39/993678039.db2.gz SPSBUSWUALOLRI-UHFFFAOYSA-N 2 0 243.395 1.176 20 0 BDADRP CCCNC(=O)CCC[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC001577538599 993681363 /nfs/dbraw/zinc/68/13/63/993681363.db2.gz CUNVJSFVQGFBSQ-GHMZBOCLSA-N 2 0 241.379 1.008 20 0 BDADRP CCCOCC[NH2+]C1CC[NH+](CC)CC1 ZINC000387385697 993709143 /nfs/dbraw/zinc/70/91/43/993709143.db2.gz ILYMLVUQBJHVHH-UHFFFAOYSA-N 2 0 214.353 1.487 20 0 BDADRP Cn1ncc(C[NH2+]C(C)(C)CCC[NH+](C)C)n1 ZINC000387376438 993710200 /nfs/dbraw/zinc/71/02/00/993710200.db2.gz XQFCBPNDYWEYIJ-UHFFFAOYSA-N 2 0 239.367 1.025 20 0 BDADRP CC[N@H+](C)[C@@H]1CCN(C[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC001577654717 993710065 /nfs/dbraw/zinc/71/00/65/993710065.db2.gz GUIVDPCXFVXWEO-WDEREUQCSA-N 2 0 247.333 1.010 20 0 BDADRP COC1(C)CC[NH+](CCCC[NH3+])CC1 ZINC000389349161 993747620 /nfs/dbraw/zinc/74/76/20/993747620.db2.gz NGDJZZLGVWYTQM-UHFFFAOYSA-N 2 0 200.326 1.226 20 0 BDADRP COCCC[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC000389303496 993744535 /nfs/dbraw/zinc/74/45/35/993744535.db2.gz MWMBSYLONPAIIP-LLVKDONJSA-N 2 0 200.326 1.084 20 0 BDADRP CC[N@@H+]1CC[C@@H](n2c(C)nc3c2C[NH2+]CC3)C1 ZINC000389617524 993753765 /nfs/dbraw/zinc/75/37/65/993753765.db2.gz ZTLCEOOGGLRTPA-LLVKDONJSA-N 2 0 234.347 1.104 20 0 BDADRP CC(C)O[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000701664638 993897408 /nfs/dbraw/zinc/89/74/08/993897408.db2.gz YNBWZKAGXFNCSI-CYBMUJFWSA-N 2 0 226.364 1.485 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccccn2)C1 ZINC001336738980 995091830 /nfs/dbraw/zinc/09/18/30/995091830.db2.gz KGHIFOTVPHCSAQ-TZMCWYRMSA-N 2 0 249.358 1.046 20 0 BDADRP CCC(CC)(CO)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000128102651 168327986 /nfs/dbraw/zinc/32/79/86/168327986.db2.gz SYNXIPMXSDPGEW-CHWSQXEVSA-N 2 0 242.407 1.857 20 0 BDADRP C[N@H+](C[C@@]1(C)CC[NH2+]C1)C1CCOCC1 ZINC000062911281 349496050 /nfs/dbraw/zinc/49/60/50/349496050.db2.gz ZZILMEWCPCWUTH-LBPRGKRZSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@H](Cc1cccs1)[NH2+]C[C@@H](C)C[NH3+] ZINC000379574829 398153023 /nfs/dbraw/zinc/15/30/23/398153023.db2.gz LAHAQUUTDFAWQL-VHSXEESVSA-N 2 0 212.362 1.864 20 0 BDADRP C[C@H](C[C@H]1CCCO1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422907815 398157982 /nfs/dbraw/zinc/15/79/82/398157982.db2.gz XRTCYNWKPZAHPO-XQHKEYJVSA-N 2 0 226.364 1.674 20 0 BDADRP FC1(F)C[C@]12CC[N@H+](CCn1ccnc1)C2 ZINC000649907506 398180998 /nfs/dbraw/zinc/18/09/98/398180998.db2.gz UAQWNWKNUMJGOJ-JTQLQIEISA-N 2 0 227.258 1.614 20 0 BDADRP CS[C@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422943905 398160371 /nfs/dbraw/zinc/16/03/71/398160371.db2.gz ZBIDJIGXOSGATB-NFLHVTIKSA-N 2 0 214.378 1.611 20 0 BDADRP COCC[C@](C)(O)C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422976807 398161302 /nfs/dbraw/zinc/16/13/02/398161302.db2.gz JBBXVBLYPUBIMM-XQQFMLRXSA-N 2 0 244.379 1.024 20 0 BDADRP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]CCC[NH3+] ZINC000423174791 398164345 /nfs/dbraw/zinc/16/43/45/398164345.db2.gz BWPWXKSEWYOOMQ-LBPRGKRZSA-N 2 0 249.358 1.366 20 0 BDADRP CC[NH2+]CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000423233132 398165257 /nfs/dbraw/zinc/16/52/57/398165257.db2.gz JCUKAFPTIVPPHC-YNEHKIRRSA-N 2 0 225.380 1.058 20 0 BDADRP O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647795764 398194383 /nfs/dbraw/zinc/19/43/83/398194383.db2.gz VTQWNBJXWFEQSZ-DHGKCCLASA-N 2 0 238.375 1.268 20 0 BDADRP COC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000334260151 398194461 /nfs/dbraw/zinc/19/44/61/398194461.db2.gz RKCLILJIDLWLMO-OLZOCXBDSA-N 2 0 226.364 1.439 20 0 BDADRP CC(C)CCOCC[NH2+][C@H](C)CCC[NH3+] ZINC000336679713 398184766 /nfs/dbraw/zinc/18/47/66/398184766.db2.gz IPOKNHXYIPRAKA-GFCCVEGCSA-N 2 0 216.369 1.766 20 0 BDADRP Cc1cc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc[nH+]1 ZINC000229577162 178119444 /nfs/dbraw/zinc/11/94/44/178119444.db2.gz OUEBURCPDYYYLD-NEPJUHHUSA-N 2 0 217.316 1.721 20 0 BDADRP Cc1cc(N2C[C@H](C[NH3+])C[C@H]2C)cc[nH+]1 ZINC000229577312 178122552 /nfs/dbraw/zinc/12/25/52/178122552.db2.gz LVTRFQZWDAERJB-MNOVXSKESA-N 2 0 205.305 1.564 20 0 BDADRP C[C@H](C[NH2+][C@H]1CCC[C@@H]1[NH3+])CC(F)F ZINC000647801209 398207870 /nfs/dbraw/zinc/20/78/70/398207870.db2.gz RAGSGQSBERRWSL-CIUDSAMLSA-N 2 0 206.280 1.747 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386466726 398208654 /nfs/dbraw/zinc/20/86/54/398208654.db2.gz PZBHVMBBRYYIKK-IHRRRGAJSA-N 2 0 241.423 1.837 20 0 BDADRP C([C@@H]1CC[NH2+]C1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000649411814 398214092 /nfs/dbraw/zinc/21/40/92/398214092.db2.gz DWWZTXDHLFBVTA-ZIAGYGMSSA-N 2 0 237.391 1.156 20 0 BDADRP CC[NH2+]CCCNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000576373750 365580216 /nfs/dbraw/zinc/58/02/16/365580216.db2.gz RSBWTEQFLHQUDF-DGCLKSJQSA-N 2 0 241.379 1.010 20 0 BDADRP [NH3+]C[C@H]1CCCN1CCc1cccnc1 ZINC000082595416 136221726 /nfs/dbraw/zinc/22/17/26/136221726.db2.gz MBNHQZGMMACTSM-GFCCVEGCSA-N 2 0 205.305 1.047 20 0 BDADRP C[C@H]([NH3+])CC(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000430762608 398230805 /nfs/dbraw/zinc/23/08/05/398230805.db2.gz OPKPKMPFNRUYFU-SRVKXCTJSA-N 2 0 241.379 1.103 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CCCOC[C@@H]1CCCO1 ZINC000336714700 398241396 /nfs/dbraw/zinc/24/13/96/398241396.db2.gz PHMCMNLFBYKHAB-OLZOCXBDSA-N 2 0 244.379 1.289 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc2cnn(C)c2c1 ZINC000576576103 365627161 /nfs/dbraw/zinc/62/71/61/365627161.db2.gz JNYFUZLEFZRFJT-NSHDSACASA-N 2 0 246.358 1.790 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000580903464 398250644 /nfs/dbraw/zinc/25/06/44/398250644.db2.gz TWKHWTWNZSTCOA-UMSGYPCISA-N 3 0 225.380 1.363 20 0 BDADRP C[NH2+]C[C@](C)(O)C[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000576708103 365665566 /nfs/dbraw/zinc/66/55/66/365665566.db2.gz DKQLMQUQAIADNT-XQHKEYJVSA-N 2 0 228.380 1.371 20 0 BDADRP Cc1ccc(-c2n[nH]cc2C[NH2+]CCCC[NH3+])o1 ZINC000037715527 178331592 /nfs/dbraw/zinc/33/15/92/178331592.db2.gz IZPJOXHFVINQEU-UHFFFAOYSA-N 2 0 248.330 1.807 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2c[nH]nc2C)C1 ZINC000180155371 538957638 /nfs/dbraw/zinc/95/76/38/538957638.db2.gz KWZYMDKSFGCKAN-JQWIXIFHSA-N 2 0 236.363 1.711 20 0 BDADRP C[C@@H]([NH2+]C1CCOCC1)C1CC[NH+](C)CC1 ZINC000036319114 538959375 /nfs/dbraw/zinc/95/93/75/538959375.db2.gz JNCBVKNWEMCURC-LLVKDONJSA-N 2 0 226.364 1.485 20 0 BDADRP COC[C@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000166569444 361852941 /nfs/dbraw/zinc/85/29/41/361852941.db2.gz AAPKPKCEPJIIRX-NSHDSACASA-N 2 0 202.342 1.341 20 0 BDADRP CCC(CC)NC(=O)[C@@H](C)NCC1([NH3+])CCC1 ZINC000342115239 168380917 /nfs/dbraw/zinc/38/09/17/168380917.db2.gz CYIMORDLTUMNPC-SNVBAGLBSA-N 2 0 241.379 1.151 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cncs2)C1 ZINC000166661109 361855087 /nfs/dbraw/zinc/85/50/87/361855087.db2.gz FZXJKIZNJWTHPY-JTQLQIEISA-N 2 0 225.361 1.704 20 0 BDADRP C[C@@H]([NH2+]CCc1ccccn1)C1CC[NH+](C)CC1 ZINC000037209713 538961997 /nfs/dbraw/zinc/96/19/97/538961997.db2.gz HYOJMQUHUJSSRW-CYBMUJFWSA-N 2 0 247.386 1.944 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622003647 398284047 /nfs/dbraw/zinc/28/40/47/398284047.db2.gz CYNGGMGXAGRUAE-AGIUHOORSA-N 2 0 225.380 1.173 20 0 BDADRP C[N@H+](CCOc1ccccc1)C1CC[NH2+]CC1 ZINC000036300540 342809029 /nfs/dbraw/zinc/80/90/29/342809029.db2.gz RLCJQPWMLSDSIP-UHFFFAOYSA-N 2 0 234.343 1.749 20 0 BDADRP C[C@H]([NH2+]CCn1ccnc1)C1CC[NH+](C)CC1 ZINC000041119446 538974400 /nfs/dbraw/zinc/97/44/00/538974400.db2.gz REAOAKAYCFPRQI-LBPRGKRZSA-N 2 0 236.363 1.203 20 0 BDADRP C[C@H](CC[NH2+]C1CSC1)[NH+]1CCCCC1 ZINC000380237535 538987517 /nfs/dbraw/zinc/98/75/17/538987517.db2.gz MSCYDUAXZWJVCS-LLVKDONJSA-N 2 0 228.405 1.956 20 0 BDADRP CC[C@@H]([NH2+]C[C@@H]1CCCN1C)[C@@H]1CCOC1 ZINC000154613443 398293227 /nfs/dbraw/zinc/29/32/27/398293227.db2.gz ABGGDPUOIYXJOJ-FRRDWIJNSA-N 2 0 226.364 1.485 20 0 BDADRP COC[C@H](C)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000045657227 538993032 /nfs/dbraw/zinc/99/30/32/538993032.db2.gz TXMKDGJGJMUNIJ-VXGBXAGGSA-N 2 0 228.380 1.589 20 0 BDADRP COCCCCC[NH+]1CCC([NH+](C)C)CC1 ZINC000171498922 342844319 /nfs/dbraw/zinc/84/43/19/342844319.db2.gz ILEISSXTUXHFBZ-UHFFFAOYSA-N 2 0 228.380 1.829 20 0 BDADRP CCO[C@H](C[N@@H+]1CC[C@@H](C[NH+](C)C)C1)C1CC1 ZINC000625166750 342898992 /nfs/dbraw/zinc/89/89/92/342898992.db2.gz LHXUCVRXDONLTH-GXTWGEPZSA-N 2 0 240.391 1.685 20 0 BDADRP Cc1ccncc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000167234590 136244932 /nfs/dbraw/zinc/24/49/32/136244932.db2.gz LUCPMMCTIPNALR-LBPRGKRZSA-N 2 0 219.332 1.479 20 0 BDADRP C[C@@H]1CC[C@H]([N@H+](C)C[C@@H](O)CN(C)C2CC2)C1 ZINC000351618783 136247995 /nfs/dbraw/zinc/24/79/95/136247995.db2.gz IMOIWONXUXTRHM-XBFCOCLRSA-N 2 0 240.391 1.562 20 0 BDADRP CC[C@H](CSC)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400493555 529415457 /nfs/dbraw/zinc/41/54/57/529415457.db2.gz DAZBXTIJMIMIDN-AXFHLTTASA-N 2 0 216.394 1.858 20 0 BDADRP CCCCC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000037482575 398328399 /nfs/dbraw/zinc/32/83/99/398328399.db2.gz ULTOGPVAKAOFTD-UHFFFAOYSA-N 2 0 213.369 1.014 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)[C@@H](C[NH3+])C(C)C)cc1 ZINC000449625010 398339494 /nfs/dbraw/zinc/33/94/94/398339494.db2.gz QQRHYHOBPMWISJ-ZDUSSCGKSA-N 2 0 249.358 1.575 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C2CCN(C3CC3)CC2)CO1 ZINC000335424775 398341392 /nfs/dbraw/zinc/34/13/92/398341392.db2.gz IMZBHIPUXYWQGA-JQWIXIFHSA-N 2 0 224.348 1.380 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000300360083 398343784 /nfs/dbraw/zinc/34/37/84/398343784.db2.gz SWPBKKKDAUYUAN-CHWSQXEVSA-N 2 0 228.380 1.874 20 0 BDADRP [NH3+]C[C@H]1C[N@H+](CCC2CCCC2)CCCO1 ZINC000313391362 259334279 /nfs/dbraw/zinc/33/42/79/259334279.db2.gz UVJWEAOTHRPQDN-ZDUSSCGKSA-N 2 0 226.364 1.616 20 0 BDADRP CC1(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000309805199 342954565 /nfs/dbraw/zinc/95/45/65/342954565.db2.gz RZALYVBQYPKAIV-TUAOUCFPSA-N 2 0 208.349 1.846 20 0 BDADRP COC(=O)[C@H]1C[C@@H]([NH2+][C@H]2CCN(C)[C@H](C)C2)C1 ZINC000602719993 349712505 /nfs/dbraw/zinc/71/25/05/349712505.db2.gz VPZIVCVTHGFNGK-WYUUTHIRSA-N 2 0 240.347 1.010 20 0 BDADRP C[C@H](CCc1ccco1)[NH2+]C[C@@H](C)C[NH3+] ZINC000308806308 259340490 /nfs/dbraw/zinc/34/04/90/259340490.db2.gz AGHFJGGGMFXACZ-WDEREUQCSA-N 2 0 210.321 1.785 20 0 BDADRP CC[NH+](CC)CC(=O)Nc1ccc(C[NH3+])cc1 ZINC000022155746 343042766 /nfs/dbraw/zinc/04/27/66/343042766.db2.gz RRMZLMYNGIKEGE-UHFFFAOYSA-N 2 0 235.331 1.426 20 0 BDADRP CCCC[N@H+](C)C[C@H](C)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000576838966 365702575 /nfs/dbraw/zinc/70/25/75/365702575.db2.gz XEQAKTCJDFIHGE-IHRRRGAJSA-N 2 0 241.423 1.966 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCO[C@@H]2C2CC2)C1 ZINC000236295689 343089151 /nfs/dbraw/zinc/08/91/51/343089151.db2.gz JFVIRNZTIXDQLG-YVECIDJPSA-N 2 0 224.348 1.413 20 0 BDADRP Cc1cc(C[NH3+])oc1-c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000634556928 362047598 /nfs/dbraw/zinc/04/75/98/362047598.db2.gz IFJDLSFYPNCBFJ-VIFPVBQESA-N 2 0 248.286 1.521 20 0 BDADRP CC[NH2+]Cc1ccccc1NC(=O)[C@@H](C)[NH3+] ZINC000237062705 343122235 /nfs/dbraw/zinc/12/22/35/343122235.db2.gz RAYARTMNRGUQBI-SECBINFHSA-N 2 0 221.304 1.082 20 0 BDADRP CC[NH2+]CCNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000236900803 343114541 /nfs/dbraw/zinc/11/45/41/343114541.db2.gz NDWWVLXCRWCWFZ-ZDUSSCGKSA-N 2 0 249.358 1.192 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CC[C@@H](C)C1 ZINC000230407313 536850119 /nfs/dbraw/zinc/85/01/19/536850119.db2.gz WVGLFCBRFWMVDT-UPJWGTAASA-N 2 0 228.380 1.766 20 0 BDADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc2c(c1)CCO2 ZINC000131516106 343183967 /nfs/dbraw/zinc/18/39/67/343183967.db2.gz HUFLUVPXIPNYGN-SMDDNHRTSA-N 2 0 246.354 1.933 20 0 BDADRP COc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000093210568 343151023 /nfs/dbraw/zinc/15/10/23/343151023.db2.gz YUCVWQMZSVBDOI-NEPJUHHUSA-N 2 0 235.331 1.450 20 0 BDADRP CCC[NH+]1CCC([NH2+]CC2CC[NH2+]CC2)CC1 ZINC000094009634 343151938 /nfs/dbraw/zinc/15/19/38/343151938.db2.gz MZSDGDRZWMHFBJ-UHFFFAOYSA-N 3 0 239.407 1.450 20 0 BDADRP COC[C@H]([NH2+][C@@H](C)CCC[NH3+])C1CC1 ZINC000397231489 262919150 /nfs/dbraw/zinc/91/91/50/262919150.db2.gz GFAZESDHGDJWSN-ONGXEEELSA-N 2 0 200.326 1.128 20 0 BDADRP COC[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])C1CC1 ZINC000397232630 262919154 /nfs/dbraw/zinc/91/91/54/262919154.db2.gz GZPRVMWJPJPFMA-UPJWGTAASA-N 2 0 226.364 1.519 20 0 BDADRP COC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000397230870 262919158 /nfs/dbraw/zinc/91/91/58/262919158.db2.gz FVXNDCJYJXCTIY-UTUOFQBUSA-N 2 0 212.337 1.271 20 0 BDADRP Cc1cccnc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000311221395 136275856 /nfs/dbraw/zinc/27/58/56/136275856.db2.gz PICULFARGMMRNN-OKILXGFUSA-N 2 0 245.370 1.821 20 0 BDADRP C[C@H]1C[C@H]1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000336767292 136276287 /nfs/dbraw/zinc/27/62/87/136276287.db2.gz SWGQFYGEIMFQSQ-RYUDHWBXSA-N 2 0 210.365 1.964 20 0 BDADRP CC[C@@H]1CCCC[N@@H+]1C[C@@H]1CNCCO1 ZINC000043802125 488208169 /nfs/dbraw/zinc/20/81/69/488208169.db2.gz RGXQBLSODLNOHG-NEPJUHHUSA-N 2 0 212.337 1.239 20 0 BDADRP CCC[C@@H](C)[N@H+](C)C[C@@H]1CNCCO1 ZINC000043802281 488208852 /nfs/dbraw/zinc/20/88/52/488208852.db2.gz GOVYNZUPRIQWNN-MNOVXSKESA-N 2 0 200.326 1.095 20 0 BDADRP CCCn1nccc1C[NH2+]CCc1cncn1C ZINC000401779277 343230872 /nfs/dbraw/zinc/23/08/72/343230872.db2.gz PCTUYWQZNXGYSY-UHFFFAOYSA-N 2 0 247.346 1.359 20 0 BDADRP C[N@H+](C[C@@H]1CNCCO1)C1CCCCCC1 ZINC000043802327 488208769 /nfs/dbraw/zinc/20/87/69/488208769.db2.gz VWAPACUHVWLCRD-ZDUSSCGKSA-N 2 0 226.364 1.629 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000634685634 343223916 /nfs/dbraw/zinc/22/39/16/343223916.db2.gz RJEHNOZBIFJQPU-UPJWGTAASA-N 2 0 240.391 1.874 20 0 BDADRP CC[NH+](CC)CCC[NH2+]CC1(C)COC1 ZINC000070616799 343333974 /nfs/dbraw/zinc/33/39/74/343333974.db2.gz CVWXDZAPVIHLQU-UHFFFAOYSA-N 2 0 214.353 1.344 20 0 BDADRP Cc1nccn1CCC[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000348756351 136297311 /nfs/dbraw/zinc/29/73/11/136297311.db2.gz NUTQFUZYJFZTFQ-AAEUAGOBSA-N 2 0 236.363 1.251 20 0 BDADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H](C)[NH3+])c1 ZINC000037042944 343331640 /nfs/dbraw/zinc/33/16/40/343331640.db2.gz RSIRJDGNSSQXEI-LLVKDONJSA-N 2 0 249.358 1.814 20 0 BDADRP Cn1ccnc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335635223 136300681 /nfs/dbraw/zinc/30/06/81/136300681.db2.gz SBROSVGWARVCTJ-CHWSQXEVSA-N 2 0 248.374 1.242 20 0 BDADRP Cn1cncc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000335637931 136302970 /nfs/dbraw/zinc/30/29/70/136302970.db2.gz YSSXQUBMHDQEQO-STQMWFEESA-N 2 0 248.374 1.242 20 0 BDADRP C(C1CC1)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335638035 136303184 /nfs/dbraw/zinc/30/31/84/136303184.db2.gz ZWWIKHWDARFXKY-OLZOCXBDSA-N 2 0 208.349 1.718 20 0 BDADRP CC(C)[NH2+]CCCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000569918902 323044208 /nfs/dbraw/zinc/04/42/08/323044208.db2.gz VOSIGWKREYTUMV-MGPQQGTHSA-N 2 0 241.423 1.693 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000166215979 136309337 /nfs/dbraw/zinc/30/93/37/136309337.db2.gz FSUJYXLUYMHCNL-GXTWGEPZSA-N 2 0 218.344 1.898 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccccc2F)C1 ZINC000166230095 136314862 /nfs/dbraw/zinc/31/48/62/136314862.db2.gz AXZIYVHNZSKATD-QWRGUYRKSA-N 2 0 222.307 1.995 20 0 BDADRP CN(C)c1ccccc1CN1CC[C@H]([NH3+])C1 ZINC000335690395 136325010 /nfs/dbraw/zinc/32/50/10/136325010.db2.gz YKXWOHYDVVNMHL-LBPRGKRZSA-N 2 0 219.332 1.286 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@@H]2C)[C@H](C)C1 ZINC000166917517 136366987 /nfs/dbraw/zinc/36/69/87/136366987.db2.gz MBVIMNSXNKLOCU-RNJOBUHISA-N 2 0 210.365 1.962 20 0 BDADRP COc1cccc(C[NH2+]C[C@@H](C)C[NH3+])c1 ZINC000258740088 136373821 /nfs/dbraw/zinc/37/38/21/136373821.db2.gz KYNDIUYOJOLZLJ-JTQLQIEISA-N 2 0 208.305 1.380 20 0 BDADRP C[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000192560449 365755985 /nfs/dbraw/zinc/75/59/85/365755985.db2.gz ZPGBZRCKPWKFRT-FRRDWIJNSA-N 2 0 226.364 1.343 20 0 BDADRP C[NH+](C)CCCC[NH2+]C[C@@H]1CCCOC1 ZINC000084718524 343535975 /nfs/dbraw/zinc/53/59/75/343535975.db2.gz GYCDNBONOFVLMX-LBPRGKRZSA-N 2 0 214.353 1.344 20 0 BDADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2nccs2)C1 ZINC000087393681 343647344 /nfs/dbraw/zinc/64/73/44/343647344.db2.gz PCXJMFWRUQRUAW-SNVBAGLBSA-N 2 0 225.361 1.704 20 0 BDADRP C[C@H]([NH2+]CC1(O)CCC1)C1=CC[N@H+](C)CC1 ZINC000577056847 365796639 /nfs/dbraw/zinc/79/66/39/365796639.db2.gz XTGWWIVUPXUYBS-NSHDSACASA-N 2 0 224.348 1.141 20 0 BDADRP CC[NH+]1CCC([NH2+]CC[C@H](C)F)CC1 ZINC000340464949 343715665 /nfs/dbraw/zinc/71/56/65/343715665.db2.gz JJIHKHVFJIVBJG-JTQLQIEISA-N 2 0 202.317 1.808 20 0 BDADRP COC(C)(C)CC[N@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000576409464 343748971 /nfs/dbraw/zinc/74/89/71/343748971.db2.gz UMTPLAABYMCBKT-QWHCGFSZSA-N 2 0 240.391 1.970 20 0 BDADRP C[C@@H]([NH3+])CCC(=O)Nc1ccc(C[NH3+])cc1 ZINC000577061598 365798671 /nfs/dbraw/zinc/79/86/71/365798671.db2.gz YSILYVZRQCUIIT-SECBINFHSA-N 2 0 221.304 1.211 20 0 BDADRP Cc1ccc(C[NH2+]CCN2CC[NH2+]CC2)cc1C ZINC000083377657 178605586 /nfs/dbraw/zinc/60/55/86/178605586.db2.gz HEPHDDXXDNUSBL-UHFFFAOYSA-N 2 0 247.386 1.298 20 0 BDADRP Cc1cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)ccn1 ZINC000621775027 343898483 /nfs/dbraw/zinc/89/84/83/343898483.db2.gz CZTQMMSNYRZOSE-ZDUSSCGKSA-N 2 0 219.332 1.561 20 0 BDADRP [NH3+]CC[C@H]1CCC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000069626368 343940857 /nfs/dbraw/zinc/94/08/57/343940857.db2.gz USLRSYUIMLQUQH-OLZOCXBDSA-N 2 0 226.364 1.616 20 0 BDADRP C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C1CCC1 ZINC000221391688 259372986 /nfs/dbraw/zinc/37/29/86/259372986.db2.gz UCKFNPAOTOGWAK-GJZGRUSLSA-N 2 0 248.370 1.402 20 0 BDADRP CN1CCC([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000634732400 344108302 /nfs/dbraw/zinc/10/83/02/344108302.db2.gz FTHSVJMCBCBFOU-CYBMUJFWSA-N 2 0 239.407 1.448 20 0 BDADRP CC[C@@H](COC)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733341 344113329 /nfs/dbraw/zinc/11/33/29/344113329.db2.gz CXCUKIKIAALYOH-RYUDHWBXSA-N 2 0 228.380 1.779 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000634733768 344113902 /nfs/dbraw/zinc/11/39/02/344113902.db2.gz NIPOSKNKZUIKFE-STQMWFEESA-N 3 0 239.407 1.496 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000634734161 344114510 /nfs/dbraw/zinc/11/45/10/344114510.db2.gz YJXMZVOKGVEAHX-OLZOCXBDSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@@]1(CN[C@@H]2CC[NH2+]CC(C)(C)C2)CC[NH2+]C1 ZINC000634734140 344114636 /nfs/dbraw/zinc/11/46/36/344114636.db2.gz XXOKYEHPVJMEEP-TZMCWYRMSA-N 2 0 239.407 1.354 20 0 BDADRP [NH3+][C@H]1CCC[C@H](NCCC[NH+]2CCCC2)C1 ZINC000086402315 344216734 /nfs/dbraw/zinc/21/67/34/344216734.db2.gz GEUWIUCEQLKVGE-STQMWFEESA-N 3 0 225.380 1.332 20 0 BDADRP COCCCC[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000131058218 344226895 /nfs/dbraw/zinc/22/68/95/344226895.db2.gz DXFLODLBLCXZCW-LBPRGKRZSA-N 2 0 214.353 1.616 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@H]2CCCC[C@@H]2O)C1 ZINC000328453348 344298488 /nfs/dbraw/zinc/29/84/88/344298488.db2.gz DQZDSIFVFSQFJH-LOWDOPEQSA-N 2 0 226.364 1.207 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2COC[C@@H]2C1 ZINC000634779968 344316026 /nfs/dbraw/zinc/31/60/26/344316026.db2.gz NHIJXJSQLUBXDD-FRRDWIJNSA-N 2 0 224.348 1.049 20 0 BDADRP COC[C@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000133310561 344317743 /nfs/dbraw/zinc/31/77/43/344317743.db2.gz UEANTOOXDPLGQA-WDEREUQCSA-N 2 0 202.342 1.327 20 0 BDADRP COC(=O)CCCC[N@H+](C)C1CC[NH2+]CC1 ZINC000600704767 344360182 /nfs/dbraw/zinc/36/01/82/344360182.db2.gz PXGBBLDYRWGXNS-UHFFFAOYSA-N 2 0 228.336 1.014 20 0 BDADRP COC(=O)CCCC[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000600707063 344360284 /nfs/dbraw/zinc/36/02/84/344360284.db2.gz XGPJKMLQHYBUQA-LBPRGKRZSA-N 2 0 244.379 1.635 20 0 BDADRP COC(=O)CCCC[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000600710422 344360918 /nfs/dbraw/zinc/36/09/18/344360918.db2.gz OLEDECXTKGCLDI-GFCCVEGCSA-N 2 0 242.363 1.391 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCS[C@@H](C)[C@H]1C ZINC000132472628 344301016 /nfs/dbraw/zinc/30/10/16/344301016.db2.gz KEBADUWQWXQQKJ-ZJUUUORDSA-N 2 0 202.367 1.422 20 0 BDADRP C[C@@H](CN[C@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000215653005 344392313 /nfs/dbraw/zinc/39/23/13/344392313.db2.gz OXQRXLJMQJTJMO-GWCFXTLKSA-N 2 0 222.307 1.881 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CCSC1 ZINC000577280545 344490355 /nfs/dbraw/zinc/49/03/55/344490355.db2.gz WSPSVUIGRHHHKZ-LPEHRKFASA-N 2 0 202.367 1.455 20 0 BDADRP CC[C@H]1CCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000037482600 344508949 /nfs/dbraw/zinc/50/89/49/344508949.db2.gz YFYOABPRNJBNPW-ZDUSSCGKSA-N 2 0 225.380 1.014 20 0 BDADRP c1cc(CN2CCC(C[NH+]3CCCC3)CC2)n[nH]1 ZINC000152692969 344658570 /nfs/dbraw/zinc/65/85/70/344658570.db2.gz DHSRNLKAJQUBLQ-UHFFFAOYSA-N 2 0 248.374 1.718 20 0 BDADRP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)CC)[C@H]1CC1(C)C ZINC000574288785 344732590 /nfs/dbraw/zinc/73/25/90/344732590.db2.gz UDHOXMHPJQYZFP-XQQFMLRXSA-N 2 0 242.407 1.713 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C2CC2)C1 ZINC000400002282 344747907 /nfs/dbraw/zinc/74/79/07/344747907.db2.gz OMLPVYFWEFNROD-OLZOCXBDSA-N 2 0 226.364 1.031 20 0 BDADRP Cc1cnn(C)c1CNCC(C)(C)C[NH+](C)C ZINC000352247333 344854687 /nfs/dbraw/zinc/85/46/87/344854687.db2.gz XUCYNGKJGCPIRJ-UHFFFAOYSA-N 2 0 238.379 1.406 20 0 BDADRP C[NH+](C)C[C@@H]1CCN(Cc2cnc(C3CC3)o2)C1 ZINC000628174098 344895315 /nfs/dbraw/zinc/89/53/15/344895315.db2.gz XAESEJPCTCBBFS-NSHDSACASA-N 2 0 249.358 1.936 20 0 BDADRP C[NH2+]CCC[N@@H+](Cc1ccccc1)C[C@@H](C)O ZINC000579354906 344956124 /nfs/dbraw/zinc/95/61/24/344956124.db2.gz QXUOUDSYVCTNJL-CYBMUJFWSA-N 2 0 236.359 1.479 20 0 BDADRP CC[NH2+]CCC[NH2+][C@H]1CCC[C@@H]1CCOC ZINC000579342112 344951141 /nfs/dbraw/zinc/95/11/41/344951141.db2.gz YEKOBDYDZQHCNR-OLZOCXBDSA-N 2 0 228.380 1.781 20 0 BDADRP CC[NH2+]CCC[NH2+][C@H]1CCC[C@H]1CCOC ZINC000579342117 344951188 /nfs/dbraw/zinc/95/11/88/344951188.db2.gz YEKOBDYDZQHCNR-STQMWFEESA-N 2 0 228.380 1.781 20 0 BDADRP CC[C@@H](C)[C@@H](C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000154908702 345056818 /nfs/dbraw/zinc/05/68/18/345056818.db2.gz UBYXUGSHJIUPNN-HZSPNIEDSA-N 2 0 241.423 1.647 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156009043 345117370 /nfs/dbraw/zinc/11/73/70/345117370.db2.gz JRWQOLWWUOKJTH-HZSPNIEDSA-N 2 0 248.374 1.488 20 0 BDADRP CC(C)[C@@H](C[NH3+])CN1CCC2(CC[NH2+]2)CC1 ZINC000634996600 345189618 /nfs/dbraw/zinc/18/96/18/345189618.db2.gz OSOBUNUFUDYAAD-LBPRGKRZSA-N 2 0 225.380 1.045 20 0 BDADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccon2)C1 ZINC000634984133 345167738 /nfs/dbraw/zinc/16/77/38/345167738.db2.gz IORKWHHKGNGQFU-NSHDSACASA-N 2 0 223.320 1.496 20 0 BDADRP C(N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)C12CC(C1)C[NH2+]2 ZINC000634991231 345174001 /nfs/dbraw/zinc/17/40/01/345174001.db2.gz VOINAGPZTIIZRU-FUUBYGMNSA-N 2 0 249.402 1.202 20 0 BDADRP CC(C)[C@H](C[NH3+])C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000634991595 345177719 /nfs/dbraw/zinc/17/77/19/345177719.db2.gz KHRBBZXVFYFJDK-CRWXNKLISA-N 3 0 239.407 1.277 20 0 BDADRP C(N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)C12CC(C1)C[NH2+]2 ZINC000634994489 345181872 /nfs/dbraw/zinc/18/18/72/345181872.db2.gz FIJOFXZYFPUDMN-GQKFXUNGSA-N 2 0 249.402 1.060 20 0 BDADRP [NH3+]C1(CNCC23CC(C2)C[NH2+]3)CCCCCC1 ZINC000634994682 345182934 /nfs/dbraw/zinc/18/29/34/345182934.db2.gz KGQBJDYRGVGUJN-UHFFFAOYSA-N 2 0 237.391 1.380 20 0 BDADRP CCC([NH3+])(CC)CNC[C@H](C[NH3+])C(C)C ZINC000634995187 345183805 /nfs/dbraw/zinc/18/38/05/345183805.db2.gz XSWSQACUQYMNQZ-NSHDSACASA-N 2 0 215.385 1.324 20 0 BDADRP CC(C)[C@H](C[NH3+])C[NH2+][C@H](C)CCCC[NH3+] ZINC000634995993 345186222 /nfs/dbraw/zinc/18/62/22/345186222.db2.gz VXQOYSDPPYEPES-VXGBXAGGSA-N 3 0 215.385 1.324 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)CC[N@@H+]1C ZINC000156172570 345131591 /nfs/dbraw/zinc/13/15/91/345131591.db2.gz SGWHYFWEQYNJHH-OLZOCXBDSA-N 3 0 227.396 1.401 20 0 BDADRP C(N1CC[C@H](C2CCC2)C1)C12CC(C1)C[NH2+]2 ZINC000634996454 345187909 /nfs/dbraw/zinc/18/79/09/345187909.db2.gz KKUYGMILHBKGDD-QRMWWUJWSA-N 2 0 220.360 1.860 20 0 BDADRP CC[NH+]1CCN([C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000156284133 345141394 /nfs/dbraw/zinc/14/13/94/345141394.db2.gz LHYDIUBINQPDCR-AWEZNQCLSA-N 2 0 237.391 1.108 20 0 BDADRP C[C@@H]1C[C@@H](N[C@@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1C ZINC000156265037 345143681 /nfs/dbraw/zinc/14/36/81/345143681.db2.gz YNPXCVUJEZCOCF-FRRDWIJNSA-N 2 0 237.391 1.295 20 0 BDADRP C[C@H]1CC[C@H](C)N(CC23CC(C2)C[NH2+]3)C1 ZINC000634992850 345188280 /nfs/dbraw/zinc/18/82/80/345188280.db2.gz DBLJXXYGANTFBT-ZSVAQUKISA-N 2 0 208.349 1.859 20 0 BDADRP CCN(CC1CCC1)CC12CC(C1)C[NH2+]2 ZINC000634993699 345192234 /nfs/dbraw/zinc/19/22/34/345192234.db2.gz CHJWQGLJZMNVHR-UHFFFAOYSA-N 2 0 208.349 1.860 20 0 BDADRP C([N@@H+]1CC[C@@H]2CCC[C@@H]21)C12CC(C1)C[NH2+]2 ZINC000634994246 345192334 /nfs/dbraw/zinc/19/23/34/345192334.db2.gz WSXAYJPWMGFTFK-ZFQMDJOTSA-N 2 0 206.333 1.613 20 0 BDADRP C[C@H](O)C[C@H]1CCCCN1CC12CC(C1)C[NH2+]2 ZINC000634994024 345192744 /nfs/dbraw/zinc/19/27/44/345192744.db2.gz OBASGQQXIXIKKU-RJZJGCCBSA-N 2 0 238.375 1.364 20 0 BDADRP C[C@@H](O)C[C@@H]1CCCCN1CC12CC(C1)C[NH2+]2 ZINC000634994025 345192783 /nfs/dbraw/zinc/19/27/83/345192783.db2.gz OBASGQQXIXIKKU-ZIHBUVQPSA-N 2 0 238.375 1.364 20 0 BDADRP C[NH2+]CC1CC[NH+](Cc2ccc(C)cn2)CC1 ZINC000156597131 345192813 /nfs/dbraw/zinc/19/28/13/345192813.db2.gz UKVDAUGWQHHCCL-UHFFFAOYSA-N 2 0 233.359 1.821 20 0 BDADRP N[C@@H]1CCCCC[N@H+](CC[C@H]2CCOC2)C1 ZINC000634997240 345194835 /nfs/dbraw/zinc/19/48/35/345194835.db2.gz HCSCIENYFDUTFC-QWHCGFSZSA-N 2 0 226.364 1.616 20 0 BDADRP c1cc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000635002699 345204548 /nfs/dbraw/zinc/20/45/48/345204548.db2.gz XLBRNYZTXMQVNI-NEPJUHHUSA-N 2 0 234.347 1.450 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000635003073 345205766 /nfs/dbraw/zinc/20/57/66/345205766.db2.gz FPNDGGXNKDZKEX-IJLUTSLNSA-N 2 0 214.353 1.255 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635003427 345206301 /nfs/dbraw/zinc/20/63/01/345206301.db2.gz DBBNJHJGGJACNY-WRWGMCAJSA-N 3 0 213.369 1.219 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000635003634 345206489 /nfs/dbraw/zinc/20/64/89/345206489.db2.gz BCSCFDHWBMKPTE-GZBFAFLISA-N 2 0 249.402 1.662 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635004714 345208307 /nfs/dbraw/zinc/20/83/07/345208307.db2.gz DSTLYXCGVLFLHG-CHWSQXEVSA-N 3 0 241.423 1.872 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)[C@H](C)O1 ZINC000635007863 345209038 /nfs/dbraw/zinc/20/90/38/345209038.db2.gz BNQUTHJPYFEJOW-VOAKCMCISA-N 2 0 240.391 1.920 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000635006590 345211168 /nfs/dbraw/zinc/21/11/68/345211168.db2.gz ZIMJXJHDRYRTSR-FRRDWIJNSA-N 2 0 228.380 1.787 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000635009765 345212099 /nfs/dbraw/zinc/21/20/99/345212099.db2.gz ZIIBUGMLFQVTDU-AGIUHOORSA-N 3 0 239.407 1.482 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CCO1 ZINC000635012154 345214646 /nfs/dbraw/zinc/21/46/46/345214646.db2.gz REYHKMDFHOAOFN-AGIUHOORSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccncn1 ZINC000635007639 345215015 /nfs/dbraw/zinc/21/50/15/345215015.db2.gz WPZUKFNEEWGWSQ-IJLUTSLNSA-N 2 0 234.347 1.645 20 0 BDADRP CCN1CCC([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000635008247 345216004 /nfs/dbraw/zinc/21/60/04/345216004.db2.gz SMXWBLQWUIFTKI-JOCQHMNTSA-N 2 0 239.407 1.578 20 0 BDADRP CC[NH+](CC)CCCN(C)C1CC[NH2+]CC1 ZINC000147045116 345369441 /nfs/dbraw/zinc/36/94/41/345369441.db2.gz JAFKPIPODBKTFB-UHFFFAOYSA-N 3 0 227.396 1.402 20 0 BDADRP CCSCC[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000158732623 345371400 /nfs/dbraw/zinc/37/14/00/345371400.db2.gz NOXGUHBDLRKRQG-VHSXEESVSA-N 2 0 202.367 1.551 20 0 BDADRP CC(C)OCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158749030 345373847 /nfs/dbraw/zinc/37/38/47/345373847.db2.gz WRYCUMFPGAYTPL-KGLIPLIRSA-N 2 0 240.391 1.828 20 0 BDADRP CC(F)(F)CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000393596597 345417554 /nfs/dbraw/zinc/41/75/54/345417554.db2.gz AVRSPGXMJQZZDC-DTWKUNHWSA-N 2 0 206.280 1.891 20 0 BDADRP C[C@@H]1CCC[C@@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000088728187 345544778 /nfs/dbraw/zinc/54/47/78/345544778.db2.gz BVPZRXMSXOFEBP-NEPJUHHUSA-N 2 0 226.364 1.221 20 0 BDADRP CC(C)[C@](C)(O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000159904475 345631049 /nfs/dbraw/zinc/63/10/49/345631049.db2.gz GJKWZWNUHFLVLG-BFHYXJOUSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000235707457 537903690 /nfs/dbraw/zinc/90/36/90/537903690.db2.gz DIROSGDUAWTKKK-NWDGAFQWSA-N 2 0 212.337 1.226 20 0 BDADRP CC[C@@H](O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000363576742 345798468 /nfs/dbraw/zinc/79/84/68/345798468.db2.gz CPUYYNNVOGNHHE-MQYQWHSLSA-N 2 0 238.375 1.173 20 0 BDADRP CSC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000401020695 346034863 /nfs/dbraw/zinc/03/48/63/346034863.db2.gz KSEDRPAEFIKWFU-IJLUTSLNSA-N 2 0 240.416 1.860 20 0 BDADRP CSC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000401020698 346034912 /nfs/dbraw/zinc/03/49/12/346034912.db2.gz KSEDRPAEFIKWFU-SDDRHHMPSA-N 2 0 240.416 1.860 20 0 BDADRP OCCC1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000401050712 346084658 /nfs/dbraw/zinc/08/46/58/346084658.db2.gz XZLVDRQPOYFHSC-CQSZACIVSA-N 2 0 240.391 1.471 20 0 BDADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H](CC(C)C)C1 ZINC000563268857 323107212 /nfs/dbraw/zinc/10/72/12/323107212.db2.gz NCTSPJLLKYKPTC-STQMWFEESA-N 2 0 228.380 1.325 20 0 BDADRP CC[N@@H+]1CCN(Cc2nc(C)c(C)[nH]2)[C@@H](C)C1 ZINC000628272485 346280880 /nfs/dbraw/zinc/28/08/80/346280880.db2.gz PQHCBSUEVLYBGA-JTQLQIEISA-N 2 0 236.363 1.553 20 0 BDADRP CCN(CCO)CC[NH2+][C@H]1CCC[C@H](C)CC1 ZINC000641748679 362677381 /nfs/dbraw/zinc/67/73/81/362677381.db2.gz RNJKQDKMZHMVGP-KBPBESRZSA-N 2 0 242.407 1.859 20 0 BDADRP CSC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401159319 346332257 /nfs/dbraw/zinc/33/22/57/346332257.db2.gz SFLSVNRFZOQDGB-NNYUYHANSA-N 2 0 228.405 1.716 20 0 BDADRP CC[NH2+]Cc1cccc(NC(=O)C[NH2+]C2CC2)c1 ZINC000153908925 346314302 /nfs/dbraw/zinc/31/43/02/346314302.db2.gz DDORLMDNMWKWFU-UHFFFAOYSA-N 2 0 247.342 1.487 20 0 BDADRP CC[NH+](CC)CC[C@H](CO)[NH2+][C@@H]1CCC[C@H]1C ZINC000641771357 362709845 /nfs/dbraw/zinc/70/98/45/362709845.db2.gz GGDNBRYKUJATSM-MGPQQGTHSA-N 2 0 242.407 1.857 20 0 BDADRP CCO[C@@H]1C[C@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000574911028 346409640 /nfs/dbraw/zinc/40/96/40/346409640.db2.gz PSDIFYDLIWOOBE-KIDURHIOSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@@H]1CC([NH2+][C@@H]2CCC[C@@H]2C[NH3+])C[C@@H](C)O1 ZINC000563435566 323125523 /nfs/dbraw/zinc/12/55/23/323125523.db2.gz NAKROTHDUJEHAJ-PRULPYPASA-N 2 0 226.364 1.659 20 0 BDADRP Cn1cncc1CC[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000641798180 362742463 /nfs/dbraw/zinc/74/24/63/362742463.db2.gz IJIHCVPCCAWXTK-LBPRGKRZSA-N 2 0 236.363 1.166 20 0 BDADRP Cc1cccc(C[NH2+]C2CC[NH2+]CC2)c1 ZINC000038040695 179090608 /nfs/dbraw/zinc/09/06/08/179090608.db2.gz HSTBJSGOOBEZIZ-UHFFFAOYSA-N 2 0 204.317 1.837 20 0 BDADRP CCc1nc(C)c(C[NH+]2CCC(C[NH3+])CC2)o1 ZINC000641797080 362741620 /nfs/dbraw/zinc/74/16/20/362741620.db2.gz SFKWZYGZAQQPDN-UHFFFAOYSA-N 2 0 237.347 1.716 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCc2cncn2C)C1 ZINC000641797257 362742434 /nfs/dbraw/zinc/74/24/34/362742434.db2.gz ZMKOBKFDTWVPOF-RYUDHWBXSA-N 2 0 236.363 1.022 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000641801404 362755266 /nfs/dbraw/zinc/75/52/66/362755266.db2.gz QHGMLWSYDVLNQU-ROHXPCBUSA-N 2 0 208.349 1.748 20 0 BDADRP CO[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)C1CCCC1 ZINC000641801354 362755677 /nfs/dbraw/zinc/75/56/77/362755677.db2.gz PUQORTUUBMSLCU-UPJWGTAASA-N 2 0 240.391 1.907 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCCc1ccncc1 ZINC000641802268 362758157 /nfs/dbraw/zinc/75/81/57/362758157.db2.gz IRAUQADCRUAQMP-CHWSQXEVSA-N 2 0 233.359 1.730 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000641807768 362766002 /nfs/dbraw/zinc/76/60/02/362766002.db2.gz RWLZKZLYSGIZLE-VXGBXAGGSA-N 2 0 247.342 1.001 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CO1 ZINC000402166833 349974756 /nfs/dbraw/zinc/97/47/56/349974756.db2.gz SWHTWMRZCATHNU-XHJNMGKDSA-N 2 0 238.375 1.674 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CO1 ZINC000402166829 349974974 /nfs/dbraw/zinc/97/49/74/349974974.db2.gz SWHTWMRZCATHNU-MBJXGIAVSA-N 2 0 238.375 1.674 20 0 BDADRP C[C@@H]1CC[C@H](C[NH3+])N(C[C@H]2CC[NH2+]C2)[C@H]1C ZINC000641809224 362763918 /nfs/dbraw/zinc/76/39/18/362763918.db2.gz PSTPSTQAIYXORJ-MROQNXINSA-N 2 0 225.380 1.044 20 0 BDADRP CC(C)C[C@@H](CNC1CC[NH+](C)CC1)[NH+](C)C ZINC000020201143 187370487 /nfs/dbraw/zinc/37/04/87/187370487.db2.gz CUGNDAUCDFOLOQ-AWEZNQCLSA-N 2 0 241.423 1.647 20 0 BDADRP COC[C@@H](C)C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000188156231 346792167 /nfs/dbraw/zinc/79/21/67/346792167.db2.gz YEFPJTGQKDATGX-HSBZDZAISA-N 2 0 242.407 1.979 20 0 BDADRP COCCCCC[N@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000571104153 323135582 /nfs/dbraw/zinc/13/55/82/323135582.db2.gz LNODINVHCXOUEW-UONOGXRCSA-N 2 0 240.391 1.972 20 0 BDADRP [NH3+][C@]12CCC[C@H]1C[N@H+](CC[C@@H]1CCOC1)C2 ZINC000622004325 370654500 /nfs/dbraw/zinc/65/45/00/370654500.db2.gz NKUHWALLMLFBER-AGIUHOORSA-N 2 0 224.348 1.226 20 0 BDADRP CCN(C)C[C@H](O)C[N@@H+]1C[C@H](C)CC(C)(C)C1 ZINC000571103603 323135703 /nfs/dbraw/zinc/13/57/03/323135703.db2.gz FBJPZWLWNHAPQF-OLZOCXBDSA-N 2 0 242.407 1.667 20 0 BDADRP Cc1cc(N2CC[C@@H]([NH3+])[C@@H](C)C2)nc(C2CC2)n1 ZINC000582052825 347142159 /nfs/dbraw/zinc/14/21/59/347142159.db2.gz AEFNWVKOJPKBTI-JOYOIKCWSA-N 2 0 246.358 1.836 20 0 BDADRP Cc1ccc(O)c(CN2C[C@@H]3CCC[C@@]3([NH3+])C2)n1 ZINC000622004845 370656264 /nfs/dbraw/zinc/65/62/64/370656264.db2.gz VMSCXZFBLRNVBJ-SMDDNHRTSA-N 2 0 247.342 1.409 20 0 BDADRP Cc1nccn1CCC[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000580328735 347163971 /nfs/dbraw/zinc/16/39/71/347163971.db2.gz CQWBZFMRAUWLSH-CYBMUJFWSA-N 2 0 236.363 1.252 20 0 BDADRP Cc1ncc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)o1 ZINC000628295601 347229304 /nfs/dbraw/zinc/22/93/04/347229304.db2.gz CJYQPEUAJWTLCL-CQSZACIVSA-N 2 0 249.358 1.901 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]C2CCOCC2)[C@H]2CCC[C@H]21 ZINC000353440523 187373051 /nfs/dbraw/zinc/37/30/51/187373051.db2.gz KTYIPZNJUDBOOZ-HZSPNIEDSA-N 2 0 238.375 1.628 20 0 BDADRP CCCC[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)C1CC1 ZINC000310120221 347234377 /nfs/dbraw/zinc/23/43/77/347234377.db2.gz DJZWWAJUVDNHDJ-TZMCWYRMSA-N 2 0 242.407 1.952 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000310203322 347246670 /nfs/dbraw/zinc/24/66/70/347246670.db2.gz CGWUOBNBIILCLB-AAVRWANBSA-N 2 0 242.407 1.713 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CS[C@H](C)C2)C1 ZINC000250389674 362803049 /nfs/dbraw/zinc/80/30/49/362803049.db2.gz XYMOCFXISOBEHS-UTUOFQBUSA-N 2 0 228.405 1.812 20 0 BDADRP C[C@@H](CCCCO)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000679332366 488340946 /nfs/dbraw/zinc/34/09/46/488340946.db2.gz VDOLWHZWOYQZRR-QWHCGFSZSA-N 2 0 240.391 1.611 20 0 BDADRP Cc1cccc(C[NH2+][C@H](C)CCCC[NH3+])n1 ZINC000380811383 347335766 /nfs/dbraw/zinc/33/57/66/347335766.db2.gz KAGXIAAVEMDDAO-LLVKDONJSA-N 2 0 221.348 1.997 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)[C@H]1CCCOC1 ZINC000388445327 347408685 /nfs/dbraw/zinc/40/86/85/347408685.db2.gz HVNBAXAPSFVLJJ-MJBXVCDLSA-N 2 0 240.391 1.733 20 0 BDADRP CC(C)n1ccc(CN2CC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000252773620 347431190 /nfs/dbraw/zinc/43/11/90/347431190.db2.gz MSYIVNLWUPKLTR-NWDGAFQWSA-N 2 0 236.363 1.633 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H](C)COC)CC1 ZINC000053197130 347438555 /nfs/dbraw/zinc/43/85/55/347438555.db2.gz HWNVGBOLENPGAA-LLVKDONJSA-N 2 0 214.353 1.343 20 0 BDADRP CCC[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)OC ZINC000382837309 347444688 /nfs/dbraw/zinc/44/46/88/347444688.db2.gz PYUYXZDUCSAYOS-XQQFMLRXSA-N 2 0 228.380 1.731 20 0 BDADRP CC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000109754620 347465727 /nfs/dbraw/zinc/46/57/27/347465727.db2.gz BYXYDCPPFBAAOF-CYBMUJFWSA-N 2 0 225.380 1.108 20 0 BDADRP CC(C)[NH+](CCN(C)C(=O)C[NH+](C)C)C(C)C ZINC000357055977 187377471 /nfs/dbraw/zinc/37/74/71/187377471.db2.gz WYLCCGABCKOKHN-UHFFFAOYSA-N 2 0 243.395 1.125 20 0 BDADRP Cn1cncc1CC[NH2+][C@@H]1COC(C)(C)C1 ZINC000401700732 347604608 /nfs/dbraw/zinc/60/46/08/347604608.db2.gz OKIJDSHOZPTIQV-JTQLQIEISA-N 2 0 223.320 1.120 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](CC2CCOCC2)CC1 ZINC000082474727 347615737 /nfs/dbraw/zinc/61/57/37/347615737.db2.gz MSMLDCDVWSLCHW-LLVKDONJSA-N 2 0 226.364 1.472 20 0 BDADRP CCOC(=O)CCC1CC[NH+](CCC[NH3+])CC1 ZINC000591272385 347636816 /nfs/dbraw/zinc/63/68/16/347636816.db2.gz FUVOLQFHRGBSPD-UHFFFAOYSA-N 2 0 242.363 1.391 20 0 BDADRP COC(=O)CCC[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471302 347789885 /nfs/dbraw/zinc/78/98/85/347789885.db2.gz UCFXRHHSGAVSKN-UHFFFAOYSA-N 2 0 240.347 1.156 20 0 BDADRP CCOC(=O)CC[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000593729075 347938038 /nfs/dbraw/zinc/93/80/38/347938038.db2.gz FFQDETIWYQRYGR-VXGBXAGGSA-N 2 0 242.363 1.389 20 0 BDADRP C(C[NH+]1CCCC1)C[N@@H+]1CCC[C@@]12CCOC2 ZINC000367458992 187384590 /nfs/dbraw/zinc/38/45/90/187384590.db2.gz PXEZBFYROKVCLR-AWEZNQCLSA-N 2 0 238.375 1.727 20 0 BDADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cncs2)CC1 ZINC000253122410 348030274 /nfs/dbraw/zinc/03/02/74/348030274.db2.gz JFFRYKLHALIKED-XYPYZODXSA-N 2 0 239.388 1.998 20 0 BDADRP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@H]([NH3+])C(C)C ZINC000295191609 179342061 /nfs/dbraw/zinc/34/20/61/179342061.db2.gz OCTBCRNCQBLBDH-STQMWFEESA-N 2 0 249.358 1.094 20 0 BDADRP Cc1cccnc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000229088236 179375793 /nfs/dbraw/zinc/37/57/93/179375793.db2.gz GHMKYNHWJGXXBT-AAEUAGOBSA-N 2 0 233.359 1.807 20 0 BDADRP Cc1cccnc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228545965 179378422 /nfs/dbraw/zinc/37/84/22/179378422.db2.gz VUUJMUSKLITTDT-BFHYXJOUSA-N 2 0 245.370 1.949 20 0 BDADRP Cc1cccnc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000071339944 179383184 /nfs/dbraw/zinc/38/31/84/179383184.db2.gz WLRVYVSHUZBNRE-UHFFFAOYSA-N 2 0 233.359 1.821 20 0 BDADRP C[C@@H]1CC[C@H](C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)O1 ZINC000251622226 362892630 /nfs/dbraw/zinc/89/26/30/362892630.db2.gz DLLWRGKRARTPHQ-SYCZCVCYSA-N 2 0 238.375 1.769 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@H]2CC[C@H](C)O2)C1 ZINC000251616491 362892670 /nfs/dbraw/zinc/89/26/70/362892670.db2.gz DFJDEWLDPOFHRD-RWMBFGLXSA-N 2 0 226.364 1.485 20 0 BDADRP CCSC1(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000596649597 348605181 /nfs/dbraw/zinc/60/51/81/348605181.db2.gz CSNKWRCTHOUDDS-WDEREUQCSA-N 2 0 228.405 1.989 20 0 BDADRP C[C@@H](CCCC[NH3+])NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000494645813 348625009 /nfs/dbraw/zinc/62/50/09/348625009.db2.gz DLCYIJBACVHSGX-WCQYABFASA-N 2 0 249.358 1.320 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2=CCOCC2)CC[N@@H+]1C ZINC000397894951 362933964 /nfs/dbraw/zinc/93/39/64/362933964.db2.gz UPUYEMUCQYYQCC-YPMHNXCESA-N 2 0 224.348 1.405 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H]1C ZINC000308861149 348908545 /nfs/dbraw/zinc/90/85/45/348908545.db2.gz PGSCAWCSSWOJDW-TUAOUCFPSA-N 2 0 214.353 1.077 20 0 BDADRP c1ccc2c(c1)CC[C@@H]2[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000250855030 538027633 /nfs/dbraw/zinc/02/76/33/538027633.db2.gz PDMSULQHSGZRPK-YDHLFZDLSA-N 2 0 228.339 1.825 20 0 BDADRP CSC1(C[NH2+]CCN2CC[C@H](C)C2)CC1 ZINC000308964667 349258888 /nfs/dbraw/zinc/25/88/88/349258888.db2.gz UMWCCKMKHWXWTF-NSHDSACASA-N 2 0 228.405 1.813 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623528397 362946808 /nfs/dbraw/zinc/94/68/08/362946808.db2.gz KLBUXXFZUJCILP-UTUOFQBUSA-N 2 0 228.380 1.872 20 0 BDADRP CC(C)(CC[NH3+])NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000422536607 192424763 /nfs/dbraw/zinc/42/47/63/192424763.db2.gz FVBWYYAOLDEJMD-LBPRGKRZSA-N 2 0 249.358 1.320 20 0 BDADRP CCSCCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000300858942 349380357 /nfs/dbraw/zinc/38/03/57/349380357.db2.gz CERLAZDXUFFXDO-MNOVXSKESA-N 2 0 216.394 1.989 20 0 BDADRP CCSCCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000300858945 349380460 /nfs/dbraw/zinc/38/04/60/349380460.db2.gz CERLAZDXUFFXDO-QWRGUYRKSA-N 2 0 216.394 1.989 20 0 BDADRP O=c1ccc(C[NH2+][C@@H]2CCN(C3CC3)C2)c[nH]1 ZINC000392791253 350008957 /nfs/dbraw/zinc/00/89/57/350008957.db2.gz LHJMBRWGSJXPPD-LLVKDONJSA-N 2 0 233.315 1.114 20 0 BDADRP CC(C)(C)C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422698642 192433002 /nfs/dbraw/zinc/43/30/02/192433002.db2.gz AIOHEIAXOYBEKY-FRRDWIJNSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NCC[N@H+](C)C1CCCCC1 ZINC000422702322 192434412 /nfs/dbraw/zinc/43/44/12/192434412.db2.gz KKSWEHPGISGPOT-QWHCGFSZSA-N 2 0 241.423 1.966 20 0 BDADRP CC(C)[N@@H+](C)C[C@@H](C)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000309193946 350167169 /nfs/dbraw/zinc/16/71/69/350167169.db2.gz CXZWEHAVMWVGAI-FRRDWIJNSA-N 2 0 227.396 1.575 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)C2(C[NH3+])CCCC2)cc1 ZINC000427282653 191058839 /nfs/dbraw/zinc/05/88/39/191058839.db2.gz FYQMUXPMIRZACT-UHFFFAOYSA-N 2 0 247.342 1.603 20 0 BDADRP Cc1ncccc1C[NH2+]CCOCC[NH+](C)C ZINC000310326235 180219956 /nfs/dbraw/zinc/21/99/56/180219956.db2.gz IUZIQMWMSJYTGC-UHFFFAOYSA-N 2 0 237.347 1.058 20 0 BDADRP Cc1nccn1CCOCCn1ccnc1C ZINC000038254847 180262663 /nfs/dbraw/zinc/26/26/63/180262663.db2.gz AGABUDGZPATFBO-UHFFFAOYSA-N 2 0 234.303 1.413 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CC2=CCOCC2)CC1(C)C ZINC000623537310 362955697 /nfs/dbraw/zinc/95/56/97/362955697.db2.gz TWXLEKMEQDKCNN-ZDUSSCGKSA-N 2 0 238.375 1.796 20 0 BDADRP Cc1ncsc1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000228149266 180319100 /nfs/dbraw/zinc/31/91/00/180319100.db2.gz KSSYCOBDPXIZHD-WPRPVWTQSA-N 2 0 225.361 1.621 20 0 BDADRP CCOC1CC([NH2+]C[C@@H]2CC[N@H+](CC)C2)C1 ZINC000162781825 350426879 /nfs/dbraw/zinc/42/68/79/350426879.db2.gz FTLLJIRXNBNKTN-HIFPTAJRSA-N 2 0 226.364 1.485 20 0 BDADRP CC1(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000309507623 350679047 /nfs/dbraw/zinc/67/90/47/350679047.db2.gz NUJYFXMATCQABC-ZDUSSCGKSA-N 2 0 208.349 1.862 20 0 BDADRP CC[C@H]([NH2+]C[C@H](C)C[C@@H](C)O)[C@@H]1CCC[NH2+]1 ZINC000422792515 192471012 /nfs/dbraw/zinc/47/10/12/192471012.db2.gz XCWWCCBTHGSHMB-NDBYEHHHSA-N 2 0 228.380 1.514 20 0 BDADRP CO[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422794279 192471379 /nfs/dbraw/zinc/47/13/79/192471379.db2.gz UARBJPZRCIHBDT-WISYIIOYSA-N 2 0 214.353 1.659 20 0 BDADRP CC(C)([NH3+])CNc1ccncc1Br ZINC000159921897 351037074 /nfs/dbraw/zinc/03/70/74/351037074.db2.gz HXRZRVGCRDLRRD-UHFFFAOYSA-N 2 0 244.136 1.993 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1C[C@H]1CCCCO1 ZINC000252093431 363026823 /nfs/dbraw/zinc/02/68/23/363026823.db2.gz HLSTXJOTOCQHAY-IJLUTSLNSA-N 2 0 212.337 1.225 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000252713472 538100305 /nfs/dbraw/zinc/10/03/05/538100305.db2.gz PGIJKYTYLLJWOL-SCRDCRAPSA-N 2 0 240.391 1.731 20 0 BDADRP C[N@@H+]1CC[C@H](CC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000637802303 351634608 /nfs/dbraw/zinc/63/46/08/351634608.db2.gz UJHKSRCTAJGDSF-GFCCVEGCSA-N 2 0 247.342 1.426 20 0 BDADRP Cc1cnc(CC[NH2+][C@H]2CCCC[C@H]2C[NH3+])cn1 ZINC000577739765 366049268 /nfs/dbraw/zinc/04/92/68/366049268.db2.gz KPLCOFNCIDCPEY-JSGCOSHPSA-N 2 0 248.374 1.435 20 0 BDADRP CC[NH2+][C@@H](C)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000637843365 351702424 /nfs/dbraw/zinc/70/24/24/351702424.db2.gz DUETYQRIFVIGEH-CMPLNLGQSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)C2=CC[C@H]([NH3+])C2)cc1 ZINC000637856764 351717232 /nfs/dbraw/zinc/71/72/32/351717232.db2.gz QZNBQHMMVMDLMQ-CABZTGNLSA-N 2 0 245.326 1.692 20 0 BDADRP COC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])C1CC1 ZINC000397261547 351823952 /nfs/dbraw/zinc/82/39/52/351823952.db2.gz SUMLGYOBIQFRRK-CMPLNLGQSA-N 2 0 214.353 1.519 20 0 BDADRP CCC[C@@H](C[N@@H+]1CC[C@H](C[NH+](C)C)C1)OC ZINC000638075736 351948101 /nfs/dbraw/zinc/94/81/01/351948101.db2.gz HFOMRNCZARZAGS-OLZOCXBDSA-N 2 0 228.380 1.685 20 0 BDADRP CCC[C@@H](C[N@@H+]1CC[C@@H](C[NH+](C)C)C1)OC ZINC000638075739 351948222 /nfs/dbraw/zinc/94/82/22/351948222.db2.gz HFOMRNCZARZAGS-STQMWFEESA-N 2 0 228.380 1.685 20 0 BDADRP CC(C)CC[C@@H]([NH3+])C(=O)NCCCC[NH+](C)C ZINC000638068785 351940423 /nfs/dbraw/zinc/94/04/23/351940423.db2.gz ZJIAYOCDWSFTCJ-GFCCVEGCSA-N 2 0 243.395 1.208 20 0 BDADRP CC(C)C[C@@H](CN)[NH2+]C[C@H]1CCCOC1 ZINC000414854740 351905856 /nfs/dbraw/zinc/90/58/56/351905856.db2.gz VIXIJBABMHZXFU-NEPJUHHUSA-N 2 0 214.353 1.376 20 0 BDADRP CC(C)C[C@H](CN)[NH2+]C[C@H]1CCCOC1 ZINC000414854743 351905868 /nfs/dbraw/zinc/90/58/68/351905868.db2.gz VIXIJBABMHZXFU-VXGBXAGGSA-N 2 0 214.353 1.376 20 0 BDADRP CC[C@H](C)[C@H](C[N@@H+]1CC[C@@H](C[NH+](C)C)C1)OC ZINC000638076823 351949434 /nfs/dbraw/zinc/94/94/34/351949434.db2.gz NHNCPKPZFAGDDP-IHRRRGAJSA-N 2 0 242.407 1.931 20 0 BDADRP C[NH+](C)C[C@H]1CCN(Cc2ccc(=O)[nH]c2)C1 ZINC000638076850 351949580 /nfs/dbraw/zinc/94/95/80/351949580.db2.gz OBZDSSFSPVZXKL-GFCCVEGCSA-N 2 0 235.331 1.171 20 0 BDADRP CC[C@H](C)[C@H](C[N@@H+]1CC[C@H](C[NH+](C)C)C1)OC ZINC000638076825 351950001 /nfs/dbraw/zinc/95/00/01/351950001.db2.gz NHNCPKPZFAGDDP-MJBXVCDLSA-N 2 0 242.407 1.931 20 0 BDADRP CCC(CC)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638286419 352121270 /nfs/dbraw/zinc/12/12/70/352121270.db2.gz ONRMAUXCBNXHPO-UHFFFAOYSA-N 2 0 242.407 2.000 20 0 BDADRP C[C@H]([NH2+]CCC[NH+](C)C)[C@H]1CC1(F)F ZINC000638290929 352125125 /nfs/dbraw/zinc/12/51/25/352125125.db2.gz WMCFQLWFWFIVEX-DTWKUNHWSA-N 2 0 206.280 1.571 20 0 BDADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000331390309 180676597 /nfs/dbraw/zinc/67/65/97/180676597.db2.gz QAXJMZKRIGAFMH-WXHSDQCUSA-N 2 0 248.374 1.515 20 0 BDADRP CC[NH2+][C@H](C)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000638258467 352101905 /nfs/dbraw/zinc/10/19/05/352101905.db2.gz HXKWKQZOIJOUIS-SECBINFHSA-N 2 0 233.315 1.226 20 0 BDADRP C[C@H](C(=O)Nc1ccc2c(c1)C[NH2+]C2)[NH+](C)C ZINC000638259194 352102890 /nfs/dbraw/zinc/10/28/90/352102890.db2.gz RXGAWTWFWNCYBP-SECBINFHSA-N 2 0 233.315 1.178 20 0 BDADRP C(C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)C[C@H]1CCO1 ZINC000638368429 352179283 /nfs/dbraw/zinc/17/92/83/352179283.db2.gz LDVUADXCULDTMF-MJBXVCDLSA-N 2 0 238.375 1.772 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+]CCC[C@H]2CCO2)C1 ZINC000638381003 352190942 /nfs/dbraw/zinc/19/09/42/352190942.db2.gz HCINXGGAFNTFPG-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H](C[NH2+]CCC[C@@H]1CCO1)C[NH+]1CCCC1 ZINC000638385334 352195752 /nfs/dbraw/zinc/19/57/52/352195752.db2.gz HWQWVWIJOGZFOP-UONOGXRCSA-N 2 0 240.391 1.877 20 0 BDADRP CC(C)[NH2+]C1CC[NH+](CCC2(O)CCC2)CC1 ZINC000411115565 191159590 /nfs/dbraw/zinc/15/95/90/191159590.db2.gz CZUAGQGGXOIYFY-UHFFFAOYSA-N 2 0 240.391 1.754 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+]C[C@H](OC)C2CC2)C1 ZINC000638452420 352263303 /nfs/dbraw/zinc/26/33/03/352263303.db2.gz YXXQLEDBIUYAGS-OCCSQVGLSA-N 2 0 240.391 1.733 20 0 BDADRP C[N@@H+]1CCCN(CCC[NH+]2CCCCC2)CC1 ZINC000411160851 191163380 /nfs/dbraw/zinc/16/33/80/191163380.db2.gz XKHOXNQPEQZUSE-UHFFFAOYSA-N 2 0 239.407 1.500 20 0 BDADRP CC(C)COCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261589652 535176671 /nfs/dbraw/zinc/17/66/71/535176671.db2.gz UAFWAMOFMXWPNY-YNEHKIRRSA-N 2 0 226.364 1.328 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)[C@H]1CC1(F)F ZINC000638589101 352420805 /nfs/dbraw/zinc/42/08/05/352420805.db2.gz RDAIAHNSURRVBQ-HBNTYKKESA-N 2 0 232.318 1.962 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]([NH3+])CCC(C)C ZINC000638577024 352408236 /nfs/dbraw/zinc/40/82/36/352408236.db2.gz VOXNFMBFWBDBEX-SDDRHHMPSA-N 2 0 241.379 1.007 20 0 BDADRP CCC(CC)(C[NH3+])C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000638640403 352484192 /nfs/dbraw/zinc/48/41/92/352484192.db2.gz BAZJMQOMYJTYIS-QWRGUYRKSA-N 2 0 241.379 1.008 20 0 BDADRP CCOC[C@H](C)[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415014125 352550539 /nfs/dbraw/zinc/55/05/39/352550539.db2.gz ZHQLWVRXYMSYSR-SDDRHHMPSA-N 2 0 214.353 1.519 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccccn2)C1 ZINC000086402093 538104159 /nfs/dbraw/zinc/10/41/59/538104159.db2.gz DNUOGMBJNUKMBB-WDEREUQCSA-N 2 0 205.305 1.441 20 0 BDADRP CC1(C)CC[C@H](C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)O1 ZINC000253123661 538104805 /nfs/dbraw/zinc/10/48/05/538104805.db2.gz OXSLMKLYCHJKKN-SDDRHHMPSA-N 2 0 224.348 1.095 20 0 BDADRP CC[C@H]1CO[C@H](C)C[N@@H+]1CC1CC[NH2+]CC1 ZINC000042451979 352621968 /nfs/dbraw/zinc/62/19/68/352621968.db2.gz JHQOVMSFVBTHLZ-YPMHNXCESA-N 2 0 226.364 1.485 20 0 BDADRP C[N@H+](CCC1CC[NH2+]CC1)C[C@H]1CCCCO1 ZINC000042464372 352622583 /nfs/dbraw/zinc/62/25/83/352622583.db2.gz IGOSXRJGGIUWSJ-CQSZACIVSA-N 2 0 240.391 1.877 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])C(C)(C)C ZINC000422809359 192477049 /nfs/dbraw/zinc/47/70/49/192477049.db2.gz MCHPEJRABPPMAC-SDDRHHMPSA-N 2 0 228.380 1.765 20 0 BDADRP Cc1nc2ccccn2c1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000334319371 352950411 /nfs/dbraw/zinc/95/04/11/352950411.db2.gz XTJCKZNVAQJECJ-LBPRGKRZSA-N 2 0 244.342 1.423 20 0 BDADRP CN(C)c1ccccc1CN1CC[C@@H]([NH3+])C1 ZINC000334319700 352950445 /nfs/dbraw/zinc/95/04/45/352950445.db2.gz YKXWOHYDVVNMHL-GFCCVEGCSA-N 2 0 219.332 1.286 20 0 BDADRP C[C@H](CC[NH3+])NC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000349963050 133928868 /nfs/dbraw/zinc/92/88/68/133928868.db2.gz OEBIBWKAGXLFPY-NQBHXWOUSA-N 2 0 249.358 1.176 20 0 BDADRP CCOC1CC(C[NH2+]CC2=CC[N@H+](C)CC2)C1 ZINC000638838130 353022319 /nfs/dbraw/zinc/02/23/19/353022319.db2.gz CUCVIPJKBHTMHB-UHFFFAOYSA-N 2 0 238.375 1.653 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638818947 352999326 /nfs/dbraw/zinc/99/93/26/352999326.db2.gz GKSKLPUIFLAAHO-VXGBXAGGSA-N 2 0 241.379 1.104 20 0 BDADRP CC[C@](C)(C[NH2+]CCN1CC[C@H](C)C1)OC ZINC000638870671 353042631 /nfs/dbraw/zinc/04/26/31/353042631.db2.gz FMZCPCSPMGVQDR-QWHCGFSZSA-N 2 0 228.380 1.733 20 0 BDADRP CC(C)([NH3+])CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000335632528 535198132 /nfs/dbraw/zinc/19/81/32/535198132.db2.gz GSYKQDFDMZPLSK-NWDGAFQWSA-N 2 0 225.380 1.045 20 0 BDADRP C[C@H]([NH3+])c1ccc(C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000638928313 353086771 /nfs/dbraw/zinc/08/67/71/353086771.db2.gz HKICOFKIRTVUCH-KWBADKCTSA-N 2 0 247.342 1.268 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638943143 353141309 /nfs/dbraw/zinc/14/13/09/353141309.db2.gz QNDVFKCTJYRFAO-NQBHXWOUSA-N 2 0 241.379 1.138 20 0 BDADRP CC(C)([NH3+])CCC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638942277 353134926 /nfs/dbraw/zinc/13/49/26/353134926.db2.gz FZJSETVDHZXTSY-XYPYZODXSA-N 2 0 241.379 1.138 20 0 BDADRP CC(C)[NH2+]CCC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638942807 353139518 /nfs/dbraw/zinc/13/95/18/353139518.db2.gz LECHADRLZLKQEG-HAQNSBGRSA-N 2 0 241.379 1.008 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@@H](C)[NH3+] ZINC000037607229 358475049 /nfs/dbraw/zinc/47/50/49/358475049.db2.gz WUCDNMGZDCGXOG-NEPJUHHUSA-N 2 0 243.395 1.350 20 0 BDADRP CC(C)C[C@@H](CO)[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000360495653 188069196 /nfs/dbraw/zinc/06/91/96/188069196.db2.gz MMJRAWZSWRTWPV-KBPBESRZSA-N 2 0 242.407 1.810 20 0 BDADRP C1CC([N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)C1 ZINC000371464176 188074742 /nfs/dbraw/zinc/07/47/42/188074742.db2.gz PHLILYKYWVXWME-YUTCNCBUSA-N 2 0 220.360 1.955 20 0 BDADRP CC(C)[C@H](C)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000120855529 188074883 /nfs/dbraw/zinc/07/48/83/188074883.db2.gz HKMUALFQDORWJB-KBPBESRZSA-N 2 0 241.423 1.504 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@@H](C)[NH3+] ZINC000037607228 358475111 /nfs/dbraw/zinc/47/51/11/358475111.db2.gz WUCDNMGZDCGXOG-VXGBXAGGSA-N 2 0 243.395 1.350 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+]CCC[C@H]2CCO2)CC1 ZINC000638963515 353173416 /nfs/dbraw/zinc/17/34/16/353173416.db2.gz ZPPLUVLWMLZRRW-ZDUSSCGKSA-N 2 0 240.391 1.877 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@@]2(C)CCOC2)CC1 ZINC000336762081 353196183 /nfs/dbraw/zinc/19/61/83/353196183.db2.gz KZXMYKIGTPIVSH-CYBMUJFWSA-N 2 0 226.364 1.487 20 0 BDADRP C(CN1CCCCCC1)[NH2+][C@H]1CCSC1 ZINC000040767086 188145099 /nfs/dbraw/zinc/14/50/99/188145099.db2.gz HREXRCAWGNGAAI-LBPRGKRZSA-N 2 0 228.405 1.958 20 0 BDADRP Cc1n[nH]cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000367601846 188160528 /nfs/dbraw/zinc/16/05/28/188160528.db2.gz PWQNXLLAKGCHPE-MJBXVCDLSA-N 2 0 248.374 1.681 20 0 BDADRP C([NH2+]C1CCOCC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037485286 188161890 /nfs/dbraw/zinc/16/18/90/188161890.db2.gz TVACEIRGJVSWDK-NSHDSACASA-N 2 0 224.348 1.239 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CCOCC12CCCC2 ZINC000334625496 188161930 /nfs/dbraw/zinc/16/19/30/188161930.db2.gz PJBIOYFAVDBLSB-UHFFFAOYSA-N 2 0 238.375 1.631 20 0 BDADRP C([NH2+][C@@H]1CCOC1)C1CC[NH+](C2CC2)CC1 ZINC000336652126 188163733 /nfs/dbraw/zinc/16/37/33/188163733.db2.gz FMLBGSXRDTYEOE-GFCCVEGCSA-N 2 0 224.348 1.239 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@H](C)CCCC[NH3+] ZINC000336685121 188163881 /nfs/dbraw/zinc/16/38/81/188163881.db2.gz KKAZYEOPQVLSNQ-GHMZBOCLSA-N 2 0 202.342 1.110 20 0 BDADRP CC(C)C[C@H](CO)[NH2+][C@H](C)CCC[NH3+] ZINC000336684391 188164318 /nfs/dbraw/zinc/16/43/18/188164318.db2.gz JYGITHGGRRJHHR-GHMZBOCLSA-N 2 0 202.342 1.110 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]CCC(C)(C)O)CC1 ZINC000309297494 188167759 /nfs/dbraw/zinc/16/77/59/188167759.db2.gz LLDGCPVTNVGTGA-UHFFFAOYSA-N 2 0 228.380 1.610 20 0 BDADRP CC(C)C[C@@H](C[NH3+])NC(=O)c1ccc(C[NH3+])cc1 ZINC000262407462 188193274 /nfs/dbraw/zinc/19/32/74/188193274.db2.gz BPFYNRNVYOYOHF-ZDUSSCGKSA-N 2 0 249.358 1.249 20 0 BDADRP CC[NH+]1CCC([NH2+]CCc2cccnc2)CC1 ZINC000037717667 358477280 /nfs/dbraw/zinc/47/72/80/358477280.db2.gz DDSHBEBAQVRRHB-UHFFFAOYSA-N 2 0 233.359 1.698 20 0 BDADRP CC[C@@H](C(=O)NC1(C[NH3+])CCCCC1)[NH+](C)C ZINC000638999205 353245846 /nfs/dbraw/zinc/24/58/46/353245846.db2.gz XZXRTEIVQBNFPK-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP Cc1nccn1CC[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000223060051 188180061 /nfs/dbraw/zinc/18/00/61/188180061.db2.gz BKABYMFYOFVAMH-ZYHUDNBSSA-N 2 0 223.320 1.349 20 0 BDADRP CC(C)[N@H+](C[C@H](O)CN(C)C1CC1)C1CC1 ZINC000336648595 188181846 /nfs/dbraw/zinc/18/18/46/188181846.db2.gz GFTOHNYLBHWGND-CYBMUJFWSA-N 2 0 226.364 1.314 20 0 BDADRP CC(=O)Nc1ccc(CN2CCC[C@H]2C[NH3+])cc1 ZINC000131378090 188221936 /nfs/dbraw/zinc/22/19/36/188221936.db2.gz LKQGJZVPIQBVLA-AWEZNQCLSA-N 2 0 247.342 1.568 20 0 BDADRP C=Cn1cc(CN2CCC[C@@H]([NH+](C)C)CC2)cn1 ZINC000278449898 188203448 /nfs/dbraw/zinc/20/34/48/188203448.db2.gz XPHIMIZHSXPNQH-CQSZACIVSA-N 2 0 248.374 1.900 20 0 BDADRP CC(C)([NH3+])CN(CCC[NH3+])CC1CCCC1 ZINC000352526953 188230444 /nfs/dbraw/zinc/23/04/44/188230444.db2.gz UKHDQYKYQGZYSN-UHFFFAOYSA-N 2 0 227.396 1.565 20 0 BDADRP C1CC([NH+]2CCC([NH2+][C@H]3CCCOC3)CC2)C1 ZINC000336593390 188230667 /nfs/dbraw/zinc/23/06/67/188230667.db2.gz SWUDAWZDLVVLIL-ZDUSSCGKSA-N 2 0 238.375 1.772 20 0 BDADRP C[N@@H+]1CCCC12CC[NH+](CCC(C)(C)O)CC2 ZINC000336534087 188231125 /nfs/dbraw/zinc/23/11/25/188231125.db2.gz NMWCWCZGEKRVAD-UHFFFAOYSA-N 2 0 240.391 1.708 20 0 BDADRP CC(C)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000135006706 538114459 /nfs/dbraw/zinc/11/44/59/538114459.db2.gz BISGNCYWYXULOO-UHFFFAOYSA-N 2 0 237.347 1.520 20 0 BDADRP C([C@@H]1CCOC1)[N@H+](CC1CC[NH2+]CC1)C1CC1 ZINC000094021694 188223220 /nfs/dbraw/zinc/22/32/20/188223220.db2.gz IAEAYJMHYKSXOK-ZDUSSCGKSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@H](c1ccccn1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252698932 353303493 /nfs/dbraw/zinc/30/34/93/353303493.db2.gz PXIDIYDVKJNIQW-IJLUTSLNSA-N 2 0 219.332 1.812 20 0 BDADRP CCc1nc(C[NH2+]CCCC[NH3+])cs1 ZINC000328467814 133960865 /nfs/dbraw/zinc/96/08/65/133960865.db2.gz MDCATCNKOHMRDG-UHFFFAOYSA-N 2 0 213.350 1.534 20 0 BDADRP Cc1cc(CN2CCO[C@@H](C[NH3+])C2)c(C)s1 ZINC000165490035 353367131 /nfs/dbraw/zinc/36/71/31/353367131.db2.gz JKYLQWXJZCLWAS-LBPRGKRZSA-N 2 0 240.372 1.524 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000577887034 366096417 /nfs/dbraw/zinc/09/64/17/366096417.db2.gz BHDFSAHMGXABNP-WHOHXGKFSA-N 2 0 212.337 1.413 20 0 BDADRP Cc1noc(C)c1CN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000220423803 353836274 /nfs/dbraw/zinc/83/62/74/353836274.db2.gz FWOSHMUSRZCNPQ-QPUJVOFHSA-N 2 0 223.320 1.461 20 0 BDADRP CC[C@@H](C)[C@@H](C[N@H+](C)CCC[NH+](C)C)OC ZINC000639168406 354073735 /nfs/dbraw/zinc/07/37/35/354073735.db2.gz STJMKBLOYIRODA-CHWSQXEVSA-N 2 0 230.396 1.931 20 0 BDADRP CC(C)(C)[C@H](CCO)[NH2+]C1CC[NH2+]CC1 ZINC000231076154 363336641 /nfs/dbraw/zinc/33/66/41/363336641.db2.gz OHIKHKUDYNXVIZ-NSHDSACASA-N 2 0 214.353 1.125 20 0 BDADRP CCC[C@H](C)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344098219 354139913 /nfs/dbraw/zinc/13/99/13/354139913.db2.gz YDMMVKNUMWYARW-AWEZNQCLSA-N 2 0 243.439 1.990 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](CO)C[C@@H]1C ZINC000344128112 354146582 /nfs/dbraw/zinc/14/65/82/354146582.db2.gz IEVIGWYNBSKZIE-UONOGXRCSA-N 2 0 242.407 1.811 20 0 BDADRP CCC[N@H+](CC)CCN1CC[NH+](CC)CC1 ZINC000344127989 354146607 /nfs/dbraw/zinc/14/66/07/354146607.db2.gz HSQGZPMBTAICPD-UHFFFAOYSA-N 2 0 227.396 1.356 20 0 BDADRP CC(C)C[C@H]([NH3+])C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000449689478 202001754 /nfs/dbraw/zinc/00/17/54/202001754.db2.gz ZPJNKEGCGHLPQU-RYUDHWBXSA-N 2 0 241.379 1.008 20 0 BDADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000449683811 202002105 /nfs/dbraw/zinc/00/21/05/202002105.db2.gz OBKINJXCALUZBK-SRVKXCTJSA-N 2 0 241.379 1.008 20 0 BDADRP CC[N@H+](CCC[C@@H]1CCO1)CCC[NH+](C)C ZINC000639175176 354193078 /nfs/dbraw/zinc/19/30/78/354193078.db2.gz ICHOQYLBADQMLO-CYBMUJFWSA-N 2 0 228.380 1.829 20 0 BDADRP C[C@H]1C[C@H](CN2CCC3(CC[NH2+]3)CC2)CC[NH2+]1 ZINC000334587519 354212588 /nfs/dbraw/zinc/21/25/88/354212588.db2.gz OOWDWBMNLXIKGO-QWHCGFSZSA-N 2 0 237.391 1.202 20 0 BDADRP [NH3+]C1CCC([NH2+]C[C@@H]2CCNCC2(F)F)CC1 ZINC000334614819 354299997 /nfs/dbraw/zinc/29/99/97/354299997.db2.gz FVWDTWFLRFEINW-WHXUTIOJSA-N 2 0 247.333 1.091 20 0 BDADRP CCc1cc(N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc[nH+]1 ZINC000334630101 354372224 /nfs/dbraw/zinc/37/22/24/354372224.db2.gz ZQFZDSKWNJPKJQ-SMDDNHRTSA-N 2 0 231.343 1.784 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(CO)CCCC1 ZINC000349424436 366191235 /nfs/dbraw/zinc/19/12/35/366191235.db2.gz NJJJBTXYHAHHQX-STQMWFEESA-N 2 0 240.391 1.469 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(CO)CCCC1 ZINC000349424434 366191371 /nfs/dbraw/zinc/19/13/71/366191371.db2.gz NJJJBTXYHAHHQX-OLZOCXBDSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(CO)CCCC1 ZINC000349424433 366191898 /nfs/dbraw/zinc/19/18/98/366191898.db2.gz NJJJBTXYHAHHQX-CHWSQXEVSA-N 2 0 240.391 1.469 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)c1ccc(C[NH3+])cc1 ZINC000334662295 354461681 /nfs/dbraw/zinc/46/16/81/354461681.db2.gz YTBKQRLPYPQVRY-LBPRGKRZSA-N 2 0 247.342 1.016 20 0 BDADRP CC[C@H]1C[C@H](C[NH+]2CCC([NH3+])CC2)CCO1 ZINC000334688987 354477483 /nfs/dbraw/zinc/47/74/83/354477483.db2.gz OEQXEXVNPYHGAV-YPMHNXCESA-N 2 0 226.364 1.615 20 0 BDADRP CC[C@H]1C[C@@H](C[NH+]2CCC([NH3+])CC2)CCO1 ZINC000334688984 354477521 /nfs/dbraw/zinc/47/75/21/354477521.db2.gz OEQXEXVNPYHGAV-AAEUAGOBSA-N 2 0 226.364 1.615 20 0 BDADRP CC(C)(O)C[NH+]1CCC([NH2+]CCCCF)CC1 ZINC000639196170 354597162 /nfs/dbraw/zinc/59/71/62/354597162.db2.gz LPGXLAISQXYRAM-UHFFFAOYSA-N 2 0 246.370 1.561 20 0 BDADRP CC(C)n1cncc1CN1CC[NH+]2CCC1CC2 ZINC000335096942 354636753 /nfs/dbraw/zinc/63/67/53/354636753.db2.gz AAQATYTXAWCBQE-UHFFFAOYSA-N 2 0 248.374 1.744 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@H]2CC[NH2+]2)cc1 ZINC000335133952 354781768 /nfs/dbraw/zinc/78/17/68/354781768.db2.gz XKUQUQUOPYQIDB-LDYMZIIASA-N 2 0 219.288 1.007 20 0 BDADRP C[C@H](CC[NH2+]C[C@H]1C[NH2+]C[C@@H]1O)c1ccccc1 ZINC000345998398 354836312 /nfs/dbraw/zinc/83/63/12/354836312.db2.gz WHSBGUWMVOEFOF-SNPRPXQTSA-N 2 0 248.370 1.350 20 0 BDADRP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000335145941 354856420 /nfs/dbraw/zinc/85/64/20/354856420.db2.gz KTOMOXBEHYYKRI-BBCYWQGDSA-N 3 0 237.391 1.329 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CC1(C)C ZINC000234700124 363428107 /nfs/dbraw/zinc/42/81/07/363428107.db2.gz UHPNCAGOCXJCAA-UWVGGRQHSA-N 2 0 200.326 1.128 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)C1CC1 ZINC000234737386 363429383 /nfs/dbraw/zinc/42/93/83/363429383.db2.gz SWSAAIQLUDOABW-GXSJLCMTSA-N 2 0 200.326 1.128 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]Cc1cccs1 ZINC000234796155 363431901 /nfs/dbraw/zinc/43/19/01/363431901.db2.gz QABNDRBYFNFJIN-JTQLQIEISA-N 2 0 228.361 1.592 20 0 BDADRP CC1(C)SC[C@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000335170499 354933768 /nfs/dbraw/zinc/93/37/68/354933768.db2.gz QYYDIMSQERQTHB-VQXHTEKXSA-N 2 0 228.405 1.988 20 0 BDADRP Cc1ccncc1C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000335178880 354964613 /nfs/dbraw/zinc/96/46/13/354964613.db2.gz NHCFJMATUDMTLF-GXTWGEPZSA-N 2 0 233.359 1.868 20 0 BDADRP C(C[NH2+]C[C@H]1CCCOC1)C[NH+]1CCCCC1 ZINC000113462963 355006616 /nfs/dbraw/zinc/00/66/16/355006616.db2.gz GZVCJFRMPKNALB-CQSZACIVSA-N 2 0 240.391 1.879 20 0 BDADRP C[NH2+]C[C@H]1CCCN1Cc1cccc2c1NCC2 ZINC000346670111 355007305 /nfs/dbraw/zinc/00/73/05/355007305.db2.gz JNWPSBYFNNUZDV-CQSZACIVSA-N 2 0 245.370 1.838 20 0 BDADRP C[C@H]([NH3+])c1ccc(N[C@@H]2CC[NH2+]C2)cc1 ZINC000335182589 355080297 /nfs/dbraw/zinc/08/02/97/355080297.db2.gz WQAWVFGTZZNICZ-JOYOIKCWSA-N 2 0 205.305 1.480 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2CCC[NH+](C)[C@H]2C)CC[N@@H+]1C ZINC000346803364 355109513 /nfs/dbraw/zinc/10/95/13/355109513.db2.gz VJOMGJCGGFCHSX-RQJABVFESA-N 2 0 239.407 1.541 20 0 BDADRP CC[NH+]1CCC(N[C@@H]2CCC[N@H+](C)[C@@H]2C)CC1 ZINC000346786431 355116445 /nfs/dbraw/zinc/11/64/45/355116445.db2.gz DZPDGHPZAFPQCG-TZMCWYRMSA-N 2 0 239.407 1.543 20 0 BDADRP C[NH+](C)CCCC1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000346961802 355169602 /nfs/dbraw/zinc/16/96/02/355169602.db2.gz GBEXXOGXYCADOF-UHFFFAOYSA-N 3 0 241.423 1.778 20 0 BDADRP Cc1n[nH]cc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000346827897 355127717 /nfs/dbraw/zinc/12/77/17/355127717.db2.gz MUEJMMRRWDCLPZ-CYZMBNFOSA-N 2 0 234.347 1.277 20 0 BDADRP C[C@H](C[C@H]1COCCN1)[NH2+]Cc1ccco1 ZINC000166078614 355169851 /nfs/dbraw/zinc/16/98/51/355169851.db2.gz OQDLHVLTGGQPIV-MNOVXSKESA-N 2 0 224.304 1.136 20 0 BDADRP COC(=O)CCC(C)(C)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000346974051 355209294 /nfs/dbraw/zinc/20/92/94/355209294.db2.gz JBYUDZKSOHYZHB-LLVKDONJSA-N 2 0 242.363 1.307 20 0 BDADRP COC(=O)C[C@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000346997568 355195679 /nfs/dbraw/zinc/19/56/79/355195679.db2.gz WZDZPTOSTUOXHF-VXGBXAGGSA-N 2 0 240.347 1.014 20 0 BDADRP C[C@H](F)CC[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000352006602 134034652 /nfs/dbraw/zinc/03/46/52/134034652.db2.gz URMYIQSBFYHANB-STQMWFEESA-N 2 0 244.354 1.389 20 0 BDADRP C[NH+](C)Cc1ccc(CNC(=O)C(C)(C)[NH3+])cc1 ZINC000347619207 355237091 /nfs/dbraw/zinc/23/70/91/355237091.db2.gz AONBVNRGUUHLON-UHFFFAOYSA-N 2 0 249.358 1.102 20 0 BDADRP CC[C@H](C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)OC ZINC000412974449 191345087 /nfs/dbraw/zinc/34/50/87/191345087.db2.gz AMZVDUCUIUZAST-QNMSZWNNSA-N 2 0 240.391 1.968 20 0 BDADRP Cc1cnc(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cn1 ZINC000639245360 355266956 /nfs/dbraw/zinc/26/69/56/355266956.db2.gz WTHXWBHLALNPRC-STQMWFEESA-N 2 0 248.374 1.400 20 0 BDADRP CC[NH+](CC)CCCN[C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000347664116 355255071 /nfs/dbraw/zinc/25/50/71/355255071.db2.gz OUUBWNIOEFUOPT-UONOGXRCSA-N 2 0 241.423 1.648 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc(F)c2)C1 ZINC000166226307 355336654 /nfs/dbraw/zinc/33/66/54/355336654.db2.gz UNJXXNKNLHQCIW-ZYHUDNBSSA-N 2 0 222.307 1.995 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)[C@H]1CCCOC1 ZINC000388948794 355377774 /nfs/dbraw/zinc/37/77/74/355377774.db2.gz HNGUIRWXIHAZOW-SRVKXCTJSA-N 2 0 212.337 1.143 20 0 BDADRP CC(C)(C)[NH2+]CCN1CCCC[C@H]1C[NH3+] ZINC000414659454 191542946 /nfs/dbraw/zinc/54/29/46/191542946.db2.gz SMKRQBAGWCCMQX-NSHDSACASA-N 2 0 213.369 1.188 20 0 BDADRP CC[NH+](CC)CCOCC[NH2+]C1CCOCC1 ZINC000349697464 355413545 /nfs/dbraw/zinc/41/35/45/355413545.db2.gz WRIJISCAZFZPFF-UHFFFAOYSA-N 2 0 244.379 1.113 20 0 BDADRP [NH3+]CCC[NH+]1CCC(Cc2cccnc2)CC1 ZINC000414735298 191556987 /nfs/dbraw/zinc/55/69/87/191556987.db2.gz GTDAARICKFFTNV-UHFFFAOYSA-N 2 0 233.359 1.685 20 0 BDADRP CC(C)[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000261531933 535285489 /nfs/dbraw/zinc/28/54/89/535285489.db2.gz IKOGPMJAVXBCEB-IJLUTSLNSA-N 2 0 214.353 1.110 20 0 BDADRP CCCC[C@@H](COC)[NH2+]C[C@H](C)C[NH2+]C ZINC000414834803 191594590 /nfs/dbraw/zinc/59/45/90/191594590.db2.gz HVBJARHQSPBCQW-NEPJUHHUSA-N 2 0 216.369 1.637 20 0 BDADRP C[C@H](CC[NH3+])NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000349952349 355535619 /nfs/dbraw/zinc/53/56/19/355535619.db2.gz OTJARCSMFLITJD-NEPJUHHUSA-N 2 0 241.379 1.104 20 0 BDADRP c1ccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)nc1 ZINC000415011120 191649649 /nfs/dbraw/zinc/64/96/49/191649649.db2.gz QEEDQQFFIYOKQK-UONOGXRCSA-N 2 0 231.343 1.559 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000415027111 191656477 /nfs/dbraw/zinc/65/64/77/191656477.db2.gz WBSHMJKTEXKXRJ-WRWGMCAJSA-N 2 0 226.364 1.517 20 0 BDADRP Cc1[nH+]ccc(N2CC([NH+](C)C)C2)c1Cl ZINC000335825371 355548627 /nfs/dbraw/zinc/54/86/27/355548627.db2.gz QBHGZONEBTUJJH-UHFFFAOYSA-N 2 0 225.723 1.794 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CCN2CC[NH2+]CC2)C[C@@H]1C ZINC000414891752 191617011 /nfs/dbraw/zinc/61/70/11/191617011.db2.gz WXZKBPIPCGECTA-RDBSUJKOSA-N 2 0 239.407 1.306 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H]2CCO)CC[NH2+]1 ZINC000415090393 191676403 /nfs/dbraw/zinc/67/64/03/191676403.db2.gz ALLGJYWPISGBGF-AGIUHOORSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415036556 191658438 /nfs/dbraw/zinc/65/84/38/191658438.db2.gz LNLDAIYFQTYULG-NDBYEHHHSA-N 3 0 225.380 1.234 20 0 BDADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cccs2)C1 ZINC000415038359 191659772 /nfs/dbraw/zinc/65/97/72/191659772.db2.gz NGWYSHLWUIHZDR-NXEZZACHSA-N 2 0 210.346 1.965 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])[C@H]1CCCOC1 ZINC000389098024 355659119 /nfs/dbraw/zinc/65/91/19/355659119.db2.gz RCEUSYZELPDDGD-XDQVBPFNSA-N 2 0 240.391 1.909 20 0 BDADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCOC)C1 ZINC000350182135 355621928 /nfs/dbraw/zinc/62/19/28/355621928.db2.gz XEENISKLZNWXGC-ZDUSSCGKSA-N 2 0 244.379 1.066 20 0 BDADRP CC[NH2+]CC1CC[NH+](Cc2cncs2)CC1 ZINC000166629962 355730529 /nfs/dbraw/zinc/73/05/29/355730529.db2.gz OEZJNCOYFZGYGM-UHFFFAOYSA-N 2 0 239.388 1.965 20 0 BDADRP CN(C)c1ccccc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000608492927 355818412 /nfs/dbraw/zinc/81/84/12/355818412.db2.gz MBWDZDWUJXKZMG-ZIAGYGMSSA-N 2 0 245.370 1.404 20 0 BDADRP CCC[C@H]([NH3+])C(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC000167323080 355991308 /nfs/dbraw/zinc/99/13/08/355991308.db2.gz LHQXKQGUUUQKFD-NEPJUHHUSA-N 2 0 241.379 1.104 20 0 BDADRP Cc1ncc(C[N@H+](C)CCCn2ccnc2)cn1 ZINC000351733758 356073322 /nfs/dbraw/zinc/07/33/22/356073322.db2.gz DODYPQWVPLYRCX-UHFFFAOYSA-N 2 0 245.330 1.504 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000422863043 192491482 /nfs/dbraw/zinc/49/14/82/192491482.db2.gz QZJBIBJWEPGNMW-KGLIPLIRSA-N 2 0 247.386 1.982 20 0 BDADRP Cc1cc(NCCCC[NH3+])nc(C2CC2)n1 ZINC000420231425 192180809 /nfs/dbraw/zinc/18/08/09/192180809.db2.gz KFNGFRJTCBVIQA-UHFFFAOYSA-N 2 0 220.320 1.235 20 0 BDADRP [NH3+][C@H]1CCC[C@@H](Nc2cc(NC3CC3)ncn2)C1 ZINC000420237956 192182933 /nfs/dbraw/zinc/18/29/33/192182933.db2.gz MUPXLRAMEQPXLD-GXSJLCMTSA-N 2 0 247.346 1.733 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000420320951 192195079 /nfs/dbraw/zinc/19/50/79/192195079.db2.gz URFLBCWLXLTVSL-UONOGXRCSA-N 2 0 239.407 1.260 20 0 BDADRP CC[C@@H](CCO)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422864519 192492726 /nfs/dbraw/zinc/49/27/26/192492726.db2.gz NHLOOBRUNJDGDV-HIFPTAJRSA-N 2 0 228.380 1.502 20 0 BDADRP C[C@@H]1C[N@H+](CCCc2ccncc2)CC[C@H]1[NH3+] ZINC000420297286 192204244 /nfs/dbraw/zinc/20/42/44/192204244.db2.gz YLIKLFWDRXQHQC-TZMCWYRMSA-N 2 0 233.359 1.683 20 0 BDADRP C(C[N@@H+]1CCC[C@@H]2COCC[C@H]21)[C@H]1CC[NH2+]C1 ZINC000420299222 192204507 /nfs/dbraw/zinc/20/45/07/192204507.db2.gz IJVMVGRXEGHVIL-MGPQQGTHSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CC[C@H]1[NH3+] ZINC000420296932 192205383 /nfs/dbraw/zinc/20/53/83/192205383.db2.gz XQWYQOWIZPLGQT-JHJVBQTASA-N 3 0 225.380 1.045 20 0 BDADRP c1n[nH]cc1[C@@H]1CCCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420319853 192195365 /nfs/dbraw/zinc/19/53/65/192195365.db2.gz PRZWTTDTDRIATC-JSGCOSHPSA-N 2 0 248.374 1.936 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](CC[C@H]2CCCCO2)C1 ZINC000420273943 192196425 /nfs/dbraw/zinc/19/64/25/192196425.db2.gz NZNLRDGYJRINIU-UONOGXRCSA-N 2 0 240.391 1.877 20 0 BDADRP CC(C)[C@@H](C(=O)NCC[C@H](C)[NH+](C)C)[NH+](C)C ZINC000617751855 356310652 /nfs/dbraw/zinc/31/06/52/356310652.db2.gz DUUAEDGREWYYMD-RYUDHWBXSA-N 2 0 243.395 1.029 20 0 BDADRP C[NH2+][C@H]1CCCN(CC[C@H]2CCC[NH2+]C2)C1 ZINC000420287333 192200901 /nfs/dbraw/zinc/20/09/01/192200901.db2.gz GCMTUOYGTFLFIZ-OLZOCXBDSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@H]1CN(CCC[NH+]2CCCCC2)CC[C@@H]1[NH3+] ZINC000420292785 192202424 /nfs/dbraw/zinc/20/24/24/192202424.db2.gz QAWMRNWYHSNYMI-KBPBESRZSA-N 2 0 239.407 1.532 20 0 BDADRP C[C@@H]1CN(CCC[NH+]2CCCCC2)CC[C@H]1[NH3+] ZINC000420292791 192202954 /nfs/dbraw/zinc/20/29/54/192202954.db2.gz QAWMRNWYHSNYMI-ZIAGYGMSSA-N 2 0 239.407 1.532 20 0 BDADRP CC[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000420318307 192214732 /nfs/dbraw/zinc/21/47/32/192214732.db2.gz OKHRZPUJTQEGBO-FRRDWIJNSA-N 2 0 226.364 1.485 20 0 BDADRP CC(=O)CN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000639508582 356337906 /nfs/dbraw/zinc/33/79/06/356337906.db2.gz NZUZPZDBXSFLFK-ZDUSSCGKSA-N 2 0 224.348 1.239 20 0 BDADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCOC1 ZINC000422895349 192501025 /nfs/dbraw/zinc/50/10/25/192501025.db2.gz FQQIDVIDLSQJHU-CFVMTHIKSA-N 2 0 248.370 1.571 20 0 BDADRP C([C@@H]1CCOC1)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420338942 192215506 /nfs/dbraw/zinc/21/55/06/192215506.db2.gz YIXUYSQYHDNWJA-IHRRRGAJSA-N 2 0 238.375 1.344 20 0 BDADRP CN(CCC[NH+]1CCCCC1)C1CC([NH3+])C1 ZINC000420339264 192215560 /nfs/dbraw/zinc/21/55/60/192215560.db2.gz SGAMIZRUSPLNNE-UHFFFAOYSA-N 3 0 225.380 1.284 20 0 BDADRP CC[NH+](CC)CCCN[C@](C)(C[NH3+])C(C)C ZINC000420303449 192207567 /nfs/dbraw/zinc/20/75/67/192207567.db2.gz KIWLFKUNBDCXGQ-CYBMUJFWSA-N 2 0 229.412 1.681 20 0 BDADRP C(CN1C[C@H]2C[NH2+]C[C@H]2C1)C[NH+]1CCCCC1 ZINC000420303773 192207733 /nfs/dbraw/zinc/20/77/33/192207733.db2.gz DKNWEODJWVYFQI-OKILXGFUSA-N 2 0 237.391 1.014 20 0 BDADRP [NH3+]CC[C@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420305224 192209030 /nfs/dbraw/zinc/20/90/30/192209030.db2.gz GHGIPWGGIIRKAF-CHWSQXEVSA-N 3 0 225.380 1.047 20 0 BDADRP C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]CCC[NH3+])C1 ZINC000420303961 192209459 /nfs/dbraw/zinc/20/94/59/192209459.db2.gz OBIHMFYHNOWPRJ-YPMHNXCESA-N 2 0 228.380 1.502 20 0 BDADRP Cc1nccn1CC[N@@H+]1CC[C@H](O)C12CCCC2 ZINC000336130789 134094217 /nfs/dbraw/zinc/09/42/17/134094217.db2.gz GBIIFIDLIGBHMK-ZDUSSCGKSA-N 2 0 249.358 1.571 20 0 BDADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420312953 192210930 /nfs/dbraw/zinc/21/09/30/192210930.db2.gz JHWFDLRXPSTUHM-KBPBESRZSA-N 3 0 239.407 1.579 20 0 BDADRP c1cc(CCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccn1 ZINC000420309738 192210969 /nfs/dbraw/zinc/21/09/69/192210969.db2.gz FILSPTNKWCLTRK-HUUCEWRRSA-N 2 0 245.370 1.556 20 0 BDADRP CCOC[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420312810 192211538 /nfs/dbraw/zinc/21/15/38/192211538.db2.gz XITUOUAFCMQOMR-UONOGXRCSA-N 2 0 240.391 1.735 20 0 BDADRP c1c[nH]c([C@H]2CCC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)n1 ZINC000420311985 192211768 /nfs/dbraw/zinc/21/17/68/192211768.db2.gz HKENCBHXMRQWRC-STQMWFEESA-N 2 0 248.374 1.589 20 0 BDADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]CC1 ZINC000420313273 192212304 /nfs/dbraw/zinc/21/23/04/192212304.db2.gz PNBQXAYJQWHUSY-ZIAGYGMSSA-N 3 0 239.407 1.450 20 0 BDADRP CC[NH+](CC)CCCN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000420317319 192212411 /nfs/dbraw/zinc/21/24/11/192212411.db2.gz ZJBINLKTWZNSTO-MELADBBJSA-N 2 0 239.407 1.387 20 0 BDADRP CC(C)CO[C@@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420313303 192212702 /nfs/dbraw/zinc/21/27/02/192212702.db2.gz XXCCETYGHHZHRA-ZIAGYGMSSA-N 2 0 240.391 1.733 20 0 BDADRP C[NH2+]CCCN(C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000420367401 192225864 /nfs/dbraw/zinc/22/58/64/192225864.db2.gz VRNCKHFUHSMIJJ-UHFFFAOYSA-N 2 0 238.379 1.749 20 0 BDADRP COC(=O)[C@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420370774 192227109 /nfs/dbraw/zinc/22/71/09/192227109.db2.gz ZDPCOMSXNXKAMS-NWDGAFQWSA-N 2 0 240.347 1.014 20 0 BDADRP CC(C)(C)[C@H](C[NH3+])NCCC[NH+]1CCCCC1 ZINC000420369924 192227562 /nfs/dbraw/zinc/22/75/62/192227562.db2.gz VHAHQRSVMVRFIS-ZDUSSCGKSA-N 2 0 241.423 1.825 20 0 BDADRP C[C@H]1C[C@H](C[NH3+])CN1CCC[NH+]1CCCCC1 ZINC000420322746 192227712 /nfs/dbraw/zinc/22/77/12/192227712.db2.gz SVRSHRCFBUQAJL-UONOGXRCSA-N 2 0 239.407 1.532 20 0 BDADRP COC[C@H](C)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420326172 192230061 /nfs/dbraw/zinc/23/00/61/192230061.db2.gz JLCTZFUXQJJEJW-RWMBFGLXSA-N 2 0 226.364 1.343 20 0 BDADRP C[C@@H]1CCCC[N@H+](CCOCC[NH3+])C1 ZINC000420365709 192223398 /nfs/dbraw/zinc/22/33/98/192223398.db2.gz FEMDAGJWCLGUME-LLVKDONJSA-N 2 0 200.326 1.084 20 0 BDADRP COc1ccccc1[C@H](C)[NH2+]CCOCC[NH3+] ZINC000420365452 192224137 /nfs/dbraw/zinc/22/41/37/192224137.db2.gz DVXDTTXPCWRUKT-NSHDSACASA-N 2 0 238.331 1.321 20 0 BDADRP Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CCC[NH3+] ZINC000420366512 192225110 /nfs/dbraw/zinc/22/51/10/192225110.db2.gz FXRDEGROAHNISI-NSHDSACASA-N 2 0 222.336 1.512 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCO1 ZINC000420394797 192236902 /nfs/dbraw/zinc/23/69/02/192236902.db2.gz CSSZGKVAUNMWGQ-AVGNSLFASA-N 2 0 226.364 1.533 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420394010 192236985 /nfs/dbraw/zinc/23/69/85/192236985.db2.gz CHPMIDZHIBXKEP-KGLIPLIRSA-N 2 0 241.423 1.635 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cncc(F)c1 ZINC000420395567 192237532 /nfs/dbraw/zinc/23/75/32/192237532.db2.gz DNHDBNUSQCZZTP-QWRGUYRKSA-N 2 0 237.322 1.871 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)[C@@H]1CCCO1 ZINC000420404177 192238401 /nfs/dbraw/zinc/23/84/01/192238401.db2.gz LUQACCSGQIRIAZ-SRVKXCTJSA-N 2 0 212.337 1.143 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H]1CCCO[C@H]1CC(C)C ZINC000420409376 192238921 /nfs/dbraw/zinc/23/89/21/192238921.db2.gz QNRLWGWNWFWWCV-OLZOCXBDSA-N 2 0 228.380 1.779 20 0 BDADRP C[C@H]1CC[N@H+](CCOCC2CC2)C[C@@H]1C[NH3+] ZINC000420410738 192239336 /nfs/dbraw/zinc/23/93/36/192239336.db2.gz RHVMHCVFDWVIBM-AAEUAGOBSA-N 2 0 226.364 1.330 20 0 BDADRP CC[C@H]1CN(CC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000420375496 192231124 /nfs/dbraw/zinc/23/11/24/192231124.db2.gz POEGXPJWKZYGDC-HNNXBMFYSA-N 2 0 247.386 1.542 20 0 BDADRP Cc1ccccc1[C@@H](C)[NH2+]CCOCC[NH3+] ZINC000420373675 192231553 /nfs/dbraw/zinc/23/15/53/192231553.db2.gz MVHLBIPJGNSRCA-GFCCVEGCSA-N 2 0 222.332 1.621 20 0 BDADRP CC(C)(C)[NH2+]CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000414919470 491092288 /nfs/dbraw/zinc/09/22/88/491092288.db2.gz VCZLKPXGVAPFID-QWRGUYRKSA-N 2 0 213.369 1.234 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@H]2C[C@@H](O)C2)[C@H](C)C1 ZINC000420927998 192287542 /nfs/dbraw/zinc/28/75/42/192287542.db2.gz AZEKRIYJDHKEJT-YIYPIFLZSA-N 2 0 240.391 1.419 20 0 BDADRP C[C@H](F)CC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000336198508 134127377 /nfs/dbraw/zinc/12/73/77/134127377.db2.gz SDYGZAHZGMHKSA-RYUDHWBXSA-N 2 0 214.328 1.762 20 0 BDADRP C[C@@H]1CC[C@H](O)C[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000421020960 192305637 /nfs/dbraw/zinc/30/56/37/192305637.db2.gz NTVMWDWRGOHVIW-AGIUHOORSA-N 2 0 226.364 1.316 20 0 BDADRP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000422902246 192513640 /nfs/dbraw/zinc/51/36/40/192513640.db2.gz MKTPOVNBWCGSMQ-XQHKEYJVSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)COCC(F)(F)F ZINC000422949759 192524448 /nfs/dbraw/zinc/52/44/48/192524448.db2.gz WGKPGVIBIPVWDJ-IUCAKERBSA-N 2 0 242.285 1.671 20 0 BDADRP CC[C@@H](CSC)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423012444 192538606 /nfs/dbraw/zinc/53/86/06/192538606.db2.gz DAZBXTIJMIMIDN-VWYCJHECSA-N 2 0 216.394 1.858 20 0 BDADRP CC[C@H]([NH2+][C@H](CCC[NH3+])COC)[C@@H]1CCCO1 ZINC000423010438 192539059 /nfs/dbraw/zinc/53/90/59/192539059.db2.gz GHDHIWYTZQFEJC-AGIUHOORSA-N 2 0 244.379 1.288 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCC[C@@H]1OC ZINC000423019593 192541568 /nfs/dbraw/zinc/54/15/68/192541568.db2.gz WGNXZDPZEQPMEX-AVGNSLFASA-N 2 0 244.379 1.145 20 0 BDADRP CC[C@H](C[C@@H](C)CO)[NH2+][C@H](C)CCCC[NH3+] ZINC000423004959 192534811 /nfs/dbraw/zinc/53/48/11/192534811.db2.gz LDNAJBJPEPEZQW-JHJVBQTASA-N 2 0 230.396 1.891 20 0 BDADRP C[C@H]([NH2+][C@@H](CO)CCC(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000423092937 192566019 /nfs/dbraw/zinc/56/60/19/192566019.db2.gz DXLVETXJIFTYTP-YNEHKIRRSA-N 2 0 242.407 1.761 20 0 BDADRP CC(C)[C@H](O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639755459 356657995 /nfs/dbraw/zinc/65/79/95/356657995.db2.gz LTWZZJCVRUKJFV-CYBMUJFWSA-N 2 0 240.391 1.421 20 0 BDADRP COCC1(CC[NH2+][C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000582241701 356671874 /nfs/dbraw/zinc/67/18/74/356671874.db2.gz GGPULAIPTWBQRL-GHMZBOCLSA-N 2 0 212.337 1.273 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc2cc[nH]c2n1 ZINC000423121339 192575967 /nfs/dbraw/zinc/57/59/67/192575967.db2.gz IJTDZUXTAQJTQR-UWVGGRQHSA-N 2 0 232.331 1.778 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1cc[nH]c(=O)c1 ZINC000423140393 192584326 /nfs/dbraw/zinc/58/43/26/192584326.db2.gz YBTJDIRWOAUDOP-WDEREUQCSA-N 2 0 237.347 1.955 20 0 BDADRP CCC[C@H](O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000450402266 202155009 /nfs/dbraw/zinc/15/50/09/202155009.db2.gz KQJNNGFGAXAYCL-NEPJUHHUSA-N 2 0 214.353 1.031 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]1F)[C@@H]1CC[NH2+]C1 ZINC000423147477 192589384 /nfs/dbraw/zinc/58/93/84/192589384.db2.gz SECPRWXSCBYXCF-ZRUFSTJUSA-N 2 0 200.301 1.465 20 0 BDADRP CCC[C@@H](O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000450434634 202167670 /nfs/dbraw/zinc/16/76/70/202167670.db2.gz DLPWFLNNLZGHNC-ZIAGYGMSSA-N 2 0 242.407 1.954 20 0 BDADRP CC[C@@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000383698773 538664754 /nfs/dbraw/zinc/66/47/54/538664754.db2.gz VGLADBNNUUTJCX-ZIAGYGMSSA-N 2 0 242.407 1.952 20 0 BDADRP CC[NH+](CC)[C@@H](C)CNC1CC[NH+](CC)CC1 ZINC000355319411 356755694 /nfs/dbraw/zinc/75/56/94/356755694.db2.gz RHEASCVEXATOEH-ZDUSSCGKSA-N 2 0 241.423 1.791 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@@H]1CCCn2nccc21 ZINC000657859028 491103168 /nfs/dbraw/zinc/10/31/68/491103168.db2.gz PCYPHGHHWHFXMH-GFCCVEGCSA-N 2 0 236.363 1.649 20 0 BDADRP CCC[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000262441377 535347784 /nfs/dbraw/zinc/34/77/84/535347784.db2.gz NHXSAEYHHMFSMJ-NEPJUHHUSA-N 2 0 241.379 1.138 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623377272 356896502 /nfs/dbraw/zinc/89/65/02/356896502.db2.gz SPOMYXMGHMBXEO-CHWSQXEVSA-N 2 0 239.407 1.543 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000353466583 538742767 /nfs/dbraw/zinc/74/27/67/538742767.db2.gz ZRIKLKNRQSFIAV-UONOGXRCSA-N 2 0 242.407 1.979 20 0 BDADRP CC[C@H]1CCCC[C@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000423207153 192628190 /nfs/dbraw/zinc/62/81/90/192628190.db2.gz RGXIJYMTHPUVGR-UONOGXRCSA-N 2 0 239.407 1.450 20 0 BDADRP CC(C)C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000363220886 356953267 /nfs/dbraw/zinc/95/32/67/356953267.db2.gz JFPPAGFLTIHNEZ-CQSZACIVSA-N 2 0 239.407 1.354 20 0 BDADRP C(CN1CC[NH2+]CC1)[NH2+][C@@H]1CCCC12CCC2 ZINC000423209793 192629208 /nfs/dbraw/zinc/62/92/08/192629208.db2.gz VRQSFAIWUPJNRJ-CYBMUJFWSA-N 2 0 237.391 1.204 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCSC2)C[C@@]1(C)C[NH3+] ZINC000389722421 357020277 /nfs/dbraw/zinc/02/02/77/357020277.db2.gz PTTAZTUSFQYMBG-GRYCIOLGSA-N 2 0 228.405 1.656 20 0 BDADRP CO[C@@H](C)CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623396477 357020885 /nfs/dbraw/zinc/02/08/85/357020885.db2.gz TWVNGFFVWZHKAS-RYUDHWBXSA-N 2 0 228.380 1.874 20 0 BDADRP C[C@@H]([NH3+])CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423227563 192640094 /nfs/dbraw/zinc/64/00/94/192640094.db2.gz WFOWKAMUCQZZTI-FDYHWXHSSA-N 2 0 238.375 1.661 20 0 BDADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]CC1(F)CC1 ZINC000390502934 357098775 /nfs/dbraw/zinc/09/87/75/357098775.db2.gz VQMZPUQAQNBKIM-NSHDSACASA-N 2 0 232.343 1.435 20 0 BDADRP CSC[C@@H]1CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000399997674 357145004 /nfs/dbraw/zinc/14/50/04/357145004.db2.gz LITANOTYHFDMHO-QWRGUYRKSA-N 2 0 214.378 1.423 20 0 BDADRP Cc1cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)ccn1 ZINC000391143187 357122758 /nfs/dbraw/zinc/12/27/58/357122758.db2.gz SCHCDIOIABNPPQ-QWHCGFSZSA-N 2 0 219.332 1.750 20 0 BDADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000423265246 192659729 /nfs/dbraw/zinc/65/97/29/192659729.db2.gz CRPZCCNKVGEYQS-UMSGYPCISA-N 2 0 225.380 1.044 20 0 BDADRP C[NH2+]CC1CC[NH+](C[C@H]2CCCC[C@@H]2O)CC1 ZINC000393279847 357280858 /nfs/dbraw/zinc/28/08/58/357280858.db2.gz XQPUWNZQECOUJN-KGLIPLIRSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1c[nH]nc1C(C)(C)C ZINC000582546343 357331709 /nfs/dbraw/zinc/33/17/09/357331709.db2.gz OEMVQHHIPBVKDS-UWVGGRQHSA-N 2 0 238.379 1.923 20 0 BDADRP C[C@H]([NH2+]CC1(CCO)CC1)C1CC[NH+](C)CC1 ZINC000157523936 538828533 /nfs/dbraw/zinc/82/85/33/538828533.db2.gz LGQCBHOAYMBHQE-LBPRGKRZSA-N 2 0 240.391 1.469 20 0 BDADRP CC(C)(C[NH2+][C@@H]1CCCOC1)C[NH+]1CCCC1 ZINC000357855619 538834769 /nfs/dbraw/zinc/83/47/69/538834769.db2.gz SKOWHVLSGRNJTC-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000423299960 192689727 /nfs/dbraw/zinc/68/97/27/192689727.db2.gz QOXGNBHIVFQXMO-MCIONIFRSA-N 2 0 239.407 1.720 20 0 BDADRP COc1ccc2c(c1)CCCN(CC[NH3+])C2 ZINC000582836042 357412113 /nfs/dbraw/zinc/41/21/13/357412113.db2.gz JECBOXVYIQVBPU-UHFFFAOYSA-N 2 0 220.316 1.402 20 0 BDADRP Cc1ccc(CC[NH2+][C@H](C)C[C@H](C)[NH3+])cn1 ZINC000582839666 357413159 /nfs/dbraw/zinc/41/31/59/357413159.db2.gz HCAUKXYTJRQYKX-CMPLNLGQSA-N 2 0 221.348 1.648 20 0 BDADRP COC[C@H](C)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397313911 357511901 /nfs/dbraw/zinc/51/19/01/357511901.db2.gz PXOQJIWPRWXAPD-NDBYEHHHSA-N 2 0 228.380 1.574 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1CC(C)C ZINC000396822193 357484894 /nfs/dbraw/zinc/48/48/94/357484894.db2.gz CMROZPUUGLZAST-KBPBESRZSA-N 2 0 242.407 1.810 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000230469326 357526054 /nfs/dbraw/zinc/52/60/54/357526054.db2.gz ISVKQXOOKVTEDQ-QWHCGFSZSA-N 2 0 228.380 1.515 20 0 BDADRP CCC(CC)[C@@H](O)C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000230469226 357526111 /nfs/dbraw/zinc/52/61/11/357526111.db2.gz ISVKQXOOKVTEDQ-OLZOCXBDSA-N 2 0 228.380 1.515 20 0 BDADRP Cc1nccn1CC[NH2+][C@H](CCO)C(C)(C)C ZINC000230891855 357577196 /nfs/dbraw/zinc/57/71/96/357577196.db2.gz ZOBBQSOGYPAUPD-GFCCVEGCSA-N 2 0 239.363 1.578 20 0 BDADRP C[C@@H]1CC[C@@H](C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)O1 ZINC000188551706 357561928 /nfs/dbraw/zinc/56/19/28/357561928.db2.gz OAHFDQYZKPKABD-MCIONIFRSA-N 2 0 240.391 1.828 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000361152634 538868496 /nfs/dbraw/zinc/86/84/96/538868496.db2.gz JZFIPTHVXPAWAR-MELADBBJSA-N 2 0 241.423 1.647 20 0 BDADRP CC[C@H]([NH2+]CCCC[NH+]1CCOCC1)C1CC1 ZINC000158841872 538869801 /nfs/dbraw/zinc/86/98/01/538869801.db2.gz OUBSOYGYWOPMDY-AWEZNQCLSA-N 2 0 240.391 1.877 20 0 BDADRP CC[C@@H]([NH2+]CCCC[NH+]1CCOCC1)C1CC1 ZINC000158842018 538869862 /nfs/dbraw/zinc/86/98/62/538869862.db2.gz OUBSOYGYWOPMDY-CQSZACIVSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@@]1(O)CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000189067109 357602900 /nfs/dbraw/zinc/60/29/00/357602900.db2.gz RSRORWWPBKZCAA-CYBMUJFWSA-N 2 0 226.364 1.319 20 0 BDADRP CC(C)CCOCC[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000232566666 357671338 /nfs/dbraw/zinc/67/13/38/357671338.db2.gz ITJMLIDMHSMKBN-ZDUSSCGKSA-N 2 0 228.380 1.720 20 0 BDADRP CCC1(C[NH2+][C@@H](CCC[NH3+])COC)CCC1 ZINC000232992814 357688487 /nfs/dbraw/zinc/68/84/87/357688487.db2.gz SUVIHBWRHSHPNV-LBPRGKRZSA-N 2 0 228.380 1.910 20 0 BDADRP C([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)C1C[NH2+]C1 ZINC000423301000 192691318 /nfs/dbraw/zinc/69/13/18/192691318.db2.gz GNHLAMLTRSZOFU-UPJWGTAASA-N 2 0 236.359 1.143 20 0 BDADRP C[C@@H]1C[N@H+](CCC[NH+]2CCCCC2)C[C@H]1CO ZINC000190899719 357737066 /nfs/dbraw/zinc/73/70/66/357737066.db2.gz WYAHLRMOTRRBFA-KGLIPLIRSA-N 2 0 240.391 1.423 20 0 BDADRP CC[NH+](CC)CCCN1CCC[C@H]([NH+](C)C)C1 ZINC000191473649 357772198 /nfs/dbraw/zinc/77/21/98/357772198.db2.gz ZRLOOPMWAJRBKL-AWEZNQCLSA-N 2 0 241.423 1.744 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H](CO)C(C)C)CC1 ZINC000086120311 357854127 /nfs/dbraw/zinc/85/41/27/357854127.db2.gz ZBAWKALKOYMWHS-CYBMUJFWSA-N 2 0 228.380 1.467 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623416865 357860340 /nfs/dbraw/zinc/86/03/40/357860340.db2.gz KDSANHGEKWJESO-YNEHKIRRSA-N 2 0 242.407 1.856 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)O1 ZINC000398193717 357860414 /nfs/dbraw/zinc/86/04/14/357860414.db2.gz YHQBIUNIYKIXBE-WRWGMCAJSA-N 2 0 212.337 1.413 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccccc1 ZINC000234731995 357833690 /nfs/dbraw/zinc/83/36/90/357833690.db2.gz LUTZGQAZSRCHHB-CYBMUJFWSA-N 2 0 222.332 1.530 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)C1CCCC1 ZINC000234747768 357834786 /nfs/dbraw/zinc/83/47/86/357834786.db2.gz XSNBFFFRQAUTRQ-DGCLKSJQSA-N 2 0 228.380 1.909 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCOC[C@@H]2C)C1 ZINC000192499114 357835706 /nfs/dbraw/zinc/83/57/06/357835706.db2.gz PTBSYXJZTINQMW-BFHYXJOUSA-N 2 0 240.391 1.733 20 0 BDADRP COCC[N@H+](C)CCC[NH2+]CC1(C)CC1 ZINC000379961596 357925238 /nfs/dbraw/zinc/92/52/38/357925238.db2.gz XDMDOMKNDJSEQV-UHFFFAOYSA-N 2 0 214.353 1.344 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H](C)C[NH3+])cc1 ZINC000584468900 357987918 /nfs/dbraw/zinc/98/79/18/357987918.db2.gz YDDXLKOCKSVFKC-VHSXEESVSA-N 2 0 235.331 1.031 20 0 BDADRP C[C@H](CN[C@H]1CCCC[C@@H]1C[NH3+])[N@H+](C)C1CC1 ZINC000217595545 134248460 /nfs/dbraw/zinc/24/84/60/134248460.db2.gz PHDPZPNPMHNUOS-BZPMIXESSA-N 2 0 239.407 1.576 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000217897698 134250731 /nfs/dbraw/zinc/25/07/31/134250731.db2.gz DRIPTIKHSQPKGF-YNEHKIRRSA-N 2 0 227.396 1.434 20 0 BDADRP CC(C)[C@H]1CN(C[C@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC000640141121 358232214 /nfs/dbraw/zinc/23/22/14/358232214.db2.gz YHYLBFCTECAFOD-ZIAGYGMSSA-N 2 0 239.407 1.353 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](CNC2CC[NH+](C)CC2)C1 ZINC000040620890 358243384 /nfs/dbraw/zinc/24/33/84/358243384.db2.gz ZCZYSDZVIFKTOH-ZDUSSCGKSA-N 2 0 239.407 1.401 20 0 BDADRP CCCN(CC[NH+](C)C)C(=O)[C@@H]([NH3+])[C@H](C)CC ZINC000041680268 358333748 /nfs/dbraw/zinc/33/37/48/358333748.db2.gz AGUCDMPVLSGBHT-NEPJUHHUSA-N 2 0 243.395 1.160 20 0 BDADRP C[C@@H]1C[NH+](C[C@H]2CCC[NH2+]C2)C[C@@H](C)S1 ZINC000226670105 358342797 /nfs/dbraw/zinc/34/27/97/358342797.db2.gz IQBNLJRJNPAIIW-UTUOFQBUSA-N 2 0 228.405 1.812 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CCOCC[NH+](C)C)[C@@H](C)C1 ZINC000219322685 134281597 /nfs/dbraw/zinc/28/15/97/134281597.db2.gz OOEVUCUEQCJXDK-HZSPNIEDSA-N 2 0 242.407 1.979 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1CCOCC1 ZINC000129924188 358601677 /nfs/dbraw/zinc/60/16/77/358601677.db2.gz SOCVWICKNNQHHR-YPMHNXCESA-N 2 0 226.364 1.343 20 0 BDADRP CCC(O)(CC)C[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000130070088 358606587 /nfs/dbraw/zinc/60/65/87/358606587.db2.gz PBGWVKYSSSCWHF-VXGBXAGGSA-N 2 0 240.391 1.752 20 0 BDADRP CC(C)CCOCC[N@H+](C)C1CC[NH2+]CC1 ZINC000049267759 358678561 /nfs/dbraw/zinc/67/85/61/358678561.db2.gz PLXMORCXHOXBCQ-UHFFFAOYSA-N 2 0 228.380 1.733 20 0 BDADRP C[C@H](C[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1)N(C)C ZINC000133294000 358749917 /nfs/dbraw/zinc/74/99/17/358749917.db2.gz NAJIRSLXDSJTAR-UTUOFQBUSA-N 2 0 225.380 1.151 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](CO)C1 ZINC000051887362 358765247 /nfs/dbraw/zinc/76/52/47/358765247.db2.gz AFBUHSODFOFKFZ-QWHCGFSZSA-N 2 0 226.364 1.175 20 0 BDADRP COC(=O)CCC[N@H+](C)CCC[NH+]1CCCC1 ZINC000050065078 358711693 /nfs/dbraw/zinc/71/16/93/358711693.db2.gz XIGLMZMSDQXGNE-UHFFFAOYSA-N 2 0 242.363 1.357 20 0 BDADRP C[C@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)C[C@H]1C ZINC000219684611 134289389 /nfs/dbraw/zinc/28/93/89/134289389.db2.gz DCNNKDRYHHZHSO-FRRDWIJNSA-N 2 0 210.365 1.964 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000132374461 358720586 /nfs/dbraw/zinc/72/05/86/358720586.db2.gz OOMSTKVRJUOSMP-TUAOUCFPSA-N 2 0 226.364 1.484 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](CCCOc2ccccc2)C1 ZINC000050248092 358721828 /nfs/dbraw/zinc/72/18/28/358721828.db2.gz GALNRGZILARTED-CYBMUJFWSA-N 2 0 234.343 1.736 20 0 BDADRP C[NH2+][C@@H]1CCCN(CCOCCC(C)C)C1 ZINC000053204617 358817295 /nfs/dbraw/zinc/81/72/95/358817295.db2.gz NUXIXKRHCDTJHR-CYBMUJFWSA-N 2 0 228.380 1.733 20 0 BDADRP CC[NH+]1CCC([NH2+]CC2(CO)CCCC2)CC1 ZINC000135061900 358817824 /nfs/dbraw/zinc/81/78/24/358817824.db2.gz AWNOYYJMDYGIRH-UHFFFAOYSA-N 2 0 240.391 1.613 20 0 BDADRP CC[NH+]1CCC([NH2+]CCCn2cccn2)CC1 ZINC000135101411 358821291 /nfs/dbraw/zinc/82/12/91/358821291.db2.gz GMLFFPITOOIMJZ-UHFFFAOYSA-N 2 0 236.363 1.347 20 0 BDADRP COc1cccc(C[NH2+][C@@H](C)CC[NH3+])c1OC ZINC000136135742 358865189 /nfs/dbraw/zinc/86/51/89/358865189.db2.gz CBAPOAMFVAJBRM-JTQLQIEISA-N 2 0 238.331 1.531 20 0 BDADRP COc1ccc(C[NH2+][C@@H](C)CC[NH3+])c(OC)c1 ZINC000136138277 358865203 /nfs/dbraw/zinc/86/52/03/358865203.db2.gz MVCADFPONYYGOE-JTQLQIEISA-N 2 0 238.331 1.531 20 0 BDADRP O[C@H](C[NH2+][C@@H]1CCCC12CC2)C[NH+]1CCCC1 ZINC000578248321 366471463 /nfs/dbraw/zinc/47/14/63/366471463.db2.gz CIDLRHLNAMYEER-CHWSQXEVSA-N 2 0 238.375 1.365 20 0 BDADRP C[C@@H]([NH3+])[C@H](C)c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000567110068 358848826 /nfs/dbraw/zinc/84/88/26/358848826.db2.gz PRBXUVHISCVILR-DTWKUNHWSA-N 2 0 246.314 1.646 20 0 BDADRP C[C@H]([NH3+])[C@H](C)c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000567110069 358849946 /nfs/dbraw/zinc/84/99/46/358849946.db2.gz PRBXUVHISCVILR-IUCAKERBSA-N 2 0 246.314 1.646 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCc2ccco2)C1 ZINC000086402767 358966945 /nfs/dbraw/zinc/96/69/45/358966945.db2.gz PFZNHINKZSJQFR-QWRGUYRKSA-N 2 0 208.305 1.682 20 0 BDADRP C[C@]1(CN[C@@H]2CCC[C@H]([NH3+])C2)CCC[NH2+]C1 ZINC000578338031 366527896 /nfs/dbraw/zinc/52/78/96/366527896.db2.gz ZQMQISAPNDTFBR-XQQFMLRXSA-N 2 0 225.380 1.236 20 0 BDADRP CC(C)[C@@H](CCO)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623432512 358943400 /nfs/dbraw/zinc/94/34/00/358943400.db2.gz VUACWTPHYDPQHS-QWHCGFSZSA-N 2 0 242.407 1.856 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CCSC2)CC1(C)C ZINC000623432732 358946194 /nfs/dbraw/zinc/94/61/94/358946194.db2.gz HZPDDPQXSUUNPD-MNOVXSKESA-N 2 0 228.405 1.954 20 0 BDADRP Cc1c[nH+]ccc1NC[C@H]1C[N@@H+](C)CCN1C ZINC000070489700 359057405 /nfs/dbraw/zinc/05/74/05/359057405.db2.gz OSXSRSPJZOTQFX-LBPRGKRZSA-N 2 0 234.347 1.048 20 0 BDADRP COC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000246567738 359147477 /nfs/dbraw/zinc/14/74/77/359147477.db2.gz XSDMVWLOTYMMDP-ZIAGYGMSSA-N 2 0 242.407 1.979 20 0 BDADRP CCOCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247942592 359249590 /nfs/dbraw/zinc/24/95/90/359249590.db2.gz DDQLUMBYAJTCLI-QWHCGFSZSA-N 2 0 226.364 1.439 20 0 BDADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H]3CCCO3)CC[C@@H]21 ZINC000248169035 359258066 /nfs/dbraw/zinc/25/80/66/359258066.db2.gz UJLSIAXTIPBZTK-MCIONIFRSA-N 2 0 238.375 1.582 20 0 BDADRP CC[C@@H](CCO)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623443757 359333983 /nfs/dbraw/zinc/33/39/83/359333983.db2.gz MDVHRWZLSKBJBZ-STQMWFEESA-N 2 0 242.407 1.857 20 0 BDADRP CC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1nccn1C ZINC000423435050 192767805 /nfs/dbraw/zinc/76/78/05/192767805.db2.gz ONLPPJWQAGWTDH-NWDGAFQWSA-N 2 0 238.379 1.978 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000423495154 192793882 /nfs/dbraw/zinc/79/38/82/192793882.db2.gz DYBPOCPGHREQQE-FQUUOJAGSA-N 2 0 240.391 1.909 20 0 BDADRP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000423493350 192794276 /nfs/dbraw/zinc/79/42/76/192794276.db2.gz BGDJIFRKVSFZBZ-RFGFWPKPSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CCCO1 ZINC000423473785 192785395 /nfs/dbraw/zinc/78/53/95/192785395.db2.gz ODPNEMYEHREZNM-QNWHQSFQSA-N 2 0 226.364 1.661 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)[C@H]1C[C@H]1C ZINC000423492300 192794543 /nfs/dbraw/zinc/79/45/43/192794543.db2.gz MLYFXYBPHQRXFB-VOAKCMCISA-N 2 0 226.364 1.389 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])C2)C1(C)C ZINC000423496048 192795432 /nfs/dbraw/zinc/79/54/32/192795432.db2.gz VYARZSFBCBGZBI-ZDEQEGDKSA-N 2 0 240.391 1.907 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)CN(C)C ZINC000379520997 359535272 /nfs/dbraw/zinc/53/52/72/359535272.db2.gz CQPGBEVZVQBKCZ-MNOVXSKESA-N 2 0 201.358 1.044 20 0 BDADRP Cc1noc([C@H](C)NCCc2ccncc2C)n1 ZINC000580427887 359540769 /nfs/dbraw/zinc/54/07/69/359540769.db2.gz TXXHLZGBYOWFRG-JTQLQIEISA-N 2 0 246.314 1.975 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CC1=CCCCC1 ZINC000379565278 359544808 /nfs/dbraw/zinc/54/48/08/359544808.db2.gz FOFCBAGLQKFNQO-ZDUSSCGKSA-N 2 0 226.364 1.830 20 0 BDADRP Cc1c[nH+]ccc1N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000450796943 202268864 /nfs/dbraw/zinc/26/88/64/202268864.db2.gz RPPRHLLDORNXCZ-BETUJISGSA-N 2 0 249.358 1.281 20 0 BDADRP c1cn(C[C@@H]2CCC[N@@H+]2Cc2cnccn2)cn1 ZINC000578390313 366550587 /nfs/dbraw/zinc/55/05/87/366550587.db2.gz DMRVRGQSVMABML-ZDUSSCGKSA-N 2 0 243.314 1.338 20 0 BDADRP CC(C)(CCC[NH3+])NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000578534365 366593465 /nfs/dbraw/zinc/59/34/65/366593465.db2.gz MKXZXJSMAKDMIA-LLVKDONJSA-N 2 0 241.379 1.010 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+]CCC[NH+](C)C)C12CCC2 ZINC000087708850 359924392 /nfs/dbraw/zinc/92/43/92/359924392.db2.gz KHVZROJSYWSHLX-STQMWFEESA-N 2 0 240.391 1.875 20 0 BDADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCCC(C)(C)C1 ZINC000578875270 366664397 /nfs/dbraw/zinc/66/43/97/366664397.db2.gz MXSDPKGXEJEGDB-GFCCVEGCSA-N 2 0 214.353 1.079 20 0 BDADRP CC[NH2+]CCC[NH2+][C@H](CC)[C@H]1CCOC1 ZINC000578878305 366664814 /nfs/dbraw/zinc/66/48/14/366664814.db2.gz MVPPFHXYENNXDS-NWDGAFQWSA-N 2 0 214.353 1.391 20 0 BDADRP CC[N@H+](Cc1ccccc1)C[C@@](C)(O)C[NH2+]C ZINC000578899384 366671266 /nfs/dbraw/zinc/67/12/66/366671266.db2.gz SZLGGSZSGDRPDD-AWEZNQCLSA-N 2 0 236.359 1.479 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCc1ccc(O)cc1 ZINC000089150307 359993764 /nfs/dbraw/zinc/99/37/64/359993764.db2.gz WCEURTJMGPDKDK-GXTWGEPZSA-N 2 0 234.343 1.652 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000089150286 359994244 /nfs/dbraw/zinc/99/42/44/359994244.db2.gz ODBRJVSZRVNVBY-PWSUYJOCSA-N 2 0 248.326 1.632 20 0 BDADRP COC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000090585452 360078719 /nfs/dbraw/zinc/07/87/19/360078719.db2.gz XSDMVWLOTYMMDP-KBPBESRZSA-N 2 0 242.407 1.979 20 0 BDADRP CC[C@H](C)C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000093074871 360215166 /nfs/dbraw/zinc/21/51/66/360215166.db2.gz DVXYWQZCEJVORA-UONOGXRCSA-N 2 0 242.407 1.859 20 0 BDADRP CC[NH+](CC)CCCN[C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000093462341 360245773 /nfs/dbraw/zinc/24/57/73/360245773.db2.gz JCCLTYNJEBSOLX-KBPBESRZSA-N 2 0 241.423 1.839 20 0 BDADRP [NH3+]CCCOC1CC[NH+](Cc2cccnc2)CC1 ZINC000094070529 360294427 /nfs/dbraw/zinc/29/44/27/360294427.db2.gz LWKUHIGIMBLTLW-UHFFFAOYSA-N 2 0 249.358 1.411 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cncc(F)c1 ZINC000414803215 200765920 /nfs/dbraw/zinc/76/59/20/200765920.db2.gz NIURVCDAYKPVTQ-WCQYABFASA-N 2 0 237.322 1.828 20 0 BDADRP CCC1CCC([NH2+]CCOCC[NH2+]C)CC1 ZINC000629391741 361045497 /nfs/dbraw/zinc/04/54/97/361045497.db2.gz CPQRZKWDQJLXIQ-UHFFFAOYSA-N 2 0 228.380 1.781 20 0 BDADRP C[C@@H]1CCCC[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629397816 361047779 /nfs/dbraw/zinc/04/77/79/361047779.db2.gz DAIJPAATWKAYAS-NEPJUHHUSA-N 2 0 214.353 1.520 20 0 BDADRP [NH3+]CCCOCC[NH2+]Cc1ccc(Cl)s1 ZINC000629397880 361047990 /nfs/dbraw/zinc/04/79/90/361047990.db2.gz FTWQJBBOYZVFFI-UHFFFAOYSA-N 2 0 248.779 1.857 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CCOCCC[NH3+])C1 ZINC000629398164 361048700 /nfs/dbraw/zinc/04/87/00/361048700.db2.gz NUFNVZODTHUBGR-MNOVXSKESA-N 2 0 200.326 1.130 20 0 BDADRP [NH3+]CCCOCC[NH2+]Cc1cc(F)cc(F)c1 ZINC000629399164 361048814 /nfs/dbraw/zinc/04/88/14/361048814.db2.gz NFHYZLNBLGFUTJ-UHFFFAOYSA-N 2 0 244.285 1.420 20 0 BDADRP [NH3+]CCCOCC[NH2+]C/C=C/c1ccccc1 ZINC000629398217 361049488 /nfs/dbraw/zinc/04/94/88/361049488.db2.gz PHEMAIFBBMQDIM-XBXARRHUSA-N 2 0 234.343 1.655 20 0 BDADRP C[C@@H]1CCC[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629399502 361050670 /nfs/dbraw/zinc/05/06/70/361050670.db2.gz SKNWREXRWUXZEC-GHMZBOCLSA-N 2 0 200.326 1.130 20 0 BDADRP CC1(C)CCCC[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629399558 361050873 /nfs/dbraw/zinc/05/08/73/361050873.db2.gz UWFRGJTWLQYFHG-GFCCVEGCSA-N 2 0 228.380 1.910 20 0 BDADRP CC(C)[C@H]1CCC[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629401094 361052008 /nfs/dbraw/zinc/05/20/08/361052008.db2.gz OXQVUHWAXPEGOK-OLZOCXBDSA-N 2 0 228.380 1.766 20 0 BDADRP COc1ccsc1C[NH2+]CCOCCC[NH3+] ZINC000629400462 361052045 /nfs/dbraw/zinc/05/20/45/361052045.db2.gz YNDQPJGMBNUKGA-UHFFFAOYSA-N 2 0 244.360 1.212 20 0 BDADRP C[C@@H]1CCCC[C@@H]1C[NH2+]CCOCCC[NH3+] ZINC000629400541 361052094 /nfs/dbraw/zinc/05/20/94/361052094.db2.gz CZEKWLKMWYVSMP-CHWSQXEVSA-N 2 0 228.380 1.768 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H](C)CC1CCC1 ZINC000629406812 361054063 /nfs/dbraw/zinc/05/40/63/361054063.db2.gz YQVWRZMOMFWJJU-NSHDSACASA-N 2 0 214.353 1.391 20 0 BDADRP CC(C)[C@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)CCO1 ZINC000629408224 361057848 /nfs/dbraw/zinc/05/78/48/361057848.db2.gz RTQYRHJUXNEZBI-WUHRBBMRSA-N 2 0 226.364 1.530 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)CCO1 ZINC000629408221 361058472 /nfs/dbraw/zinc/05/84/72/361058472.db2.gz RTQYRHJUXNEZBI-LOWDOPEQSA-N 2 0 226.364 1.530 20 0 BDADRP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CC2([NH3+])CCOCC2)C1 ZINC000629521441 361118123 /nfs/dbraw/zinc/11/81/23/361118123.db2.gz QKGOPJZHWVXFLS-AGIUHOORSA-N 2 0 240.391 1.909 20 0 BDADRP CC[C@H]([NH3+])C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424223011 200892825 /nfs/dbraw/zinc/89/28/25/200892825.db2.gz KKFDWAPSGWVSJR-NSHDSACASA-N 2 0 221.304 1.130 20 0 BDADRP C1CC2(C1)[NH2+]CC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000629512106 361105823 /nfs/dbraw/zinc/10/58/23/361105823.db2.gz ALCOHNMKHTXNPE-SYQHCUMBSA-N 2 0 249.402 1.249 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000629511938 361105931 /nfs/dbraw/zinc/10/59/31/361105931.db2.gz CKTQNPSJXGNAHP-KKUMJFAQSA-N 2 0 246.354 1.597 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCCN(Cc2cccnc2N)C1 ZINC000629510433 361108974 /nfs/dbraw/zinc/10/89/74/361108974.db2.gz UEUMJKRISWOYFG-QWRGUYRKSA-N 2 0 234.347 1.223 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC[C@@H]1CCCOC1 ZINC000629510949 361110460 /nfs/dbraw/zinc/11/04/60/361110460.db2.gz YNMDZZZTYLGKDK-TUAOUCFPSA-N 2 0 214.353 1.519 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H](C)C1CCCC1 ZINC000629528539 361136719 /nfs/dbraw/zinc/13/67/19/361136719.db2.gz BLLPONOXUUVNAK-NSHDSACASA-N 2 0 214.353 1.391 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000629528614 361137477 /nfs/dbraw/zinc/13/74/77/361137477.db2.gz FCXDWZIUOBHBGY-ITGUQSILSA-N 2 0 228.380 1.637 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H](C)c1ccccc1 ZINC000629529313 361138178 /nfs/dbraw/zinc/13/81/78/361138178.db2.gz ZFKUMFVDBWECAO-GFCCVEGCSA-N 2 0 222.332 1.573 20 0 BDADRP CC[C@@H]1CCCC[C@@H]1[NH2+]CCOCC[NH2+]C ZINC000629529908 361141414 /nfs/dbraw/zinc/14/14/14/361141414.db2.gz QGFYHMHYJZYVPR-OLZOCXBDSA-N 2 0 228.380 1.781 20 0 BDADRP CC[C@H]([NH2+]CCOCC[NH2+]C)C1CCC1 ZINC000629530584 361144456 /nfs/dbraw/zinc/14/44/56/361144456.db2.gz KOEPDCHXVKOULZ-LBPRGKRZSA-N 2 0 214.353 1.391 20 0 BDADRP CC[C@H]1CC[C@H]1[NH2+]CCOCC[NH2+]C ZINC000629530555 361144525 /nfs/dbraw/zinc/14/45/25/361144525.db2.gz JTAOZYJSVJXOJT-WDEREUQCSA-N 2 0 200.326 1.001 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H](COC)C1CCCC1 ZINC000629530753 361145854 /nfs/dbraw/zinc/14/58/54/361145854.db2.gz QFXKOGUECURJDH-ZDUSSCGKSA-N 2 0 244.379 1.017 20 0 BDADRP [NH3+][C@H]1CCCN(C2CCC3(CC2)OCCO3)C1 ZINC000041027792 361147556 /nfs/dbraw/zinc/14/75/56/361147556.db2.gz PYXJBXWJMVXNCO-NSHDSACASA-N 2 0 240.347 1.095 20 0 BDADRP CC(C)C1CC([NH2+]CC2([NH3+])CCOCC2)C1 ZINC000629521780 361121937 /nfs/dbraw/zinc/12/19/37/361121937.db2.gz UIFRIHCTITWSNS-UHFFFAOYSA-N 2 0 226.364 1.519 20 0 BDADRP CC(C)CC[C@H](CO)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000629525165 361125467 /nfs/dbraw/zinc/12/54/67/361125467.db2.gz WKSRKAGPPFIVIZ-YNEHKIRRSA-N 2 0 228.380 1.643 20 0 BDADRP C([NH2+]C1CC[NH2+]CC1)[C@@H]1C[C@H]1C1CCC1 ZINC000424386853 200927150 /nfs/dbraw/zinc/92/71/50/200927150.db2.gz YBFNFWNDMKRJLJ-AAEUAGOBSA-N 2 0 208.349 1.764 20 0 BDADRP COCCCC[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000158708085 361210021 /nfs/dbraw/zinc/21/00/21/361210021.db2.gz YMLZEYJKBHTYDD-GHMZBOCLSA-N 2 0 200.326 1.082 20 0 BDADRP CC(C)[NH2+]CCC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000579091372 366707770 /nfs/dbraw/zinc/70/77/70/366707770.db2.gz QXRRCPBKBWSALK-LBPRGKRZSA-N 2 0 241.379 1.023 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CC1(F)F)[C@H]1CCC[NH2+]1 ZINC000622044020 370672878 /nfs/dbraw/zinc/67/28/78/370672878.db2.gz RXRHQXOXXRVJON-IVZWLZJFSA-N 2 0 218.291 1.762 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CC1(F)F)[C@@H]1CCC[NH2+]1 ZINC000622044017 370675259 /nfs/dbraw/zinc/67/52/59/370675259.db2.gz RXRHQXOXXRVJON-AEJSXWLSSA-N 2 0 218.291 1.762 20 0 BDADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1CC(C)C1 ZINC000622044543 370677110 /nfs/dbraw/zinc/67/71/10/370677110.db2.gz KAEXDAKXVBWLPA-BEZKJRAVSA-N 2 0 226.364 1.374 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCOCC1CC1 ZINC000162868597 361368818 /nfs/dbraw/zinc/36/88/18/361368818.db2.gz BHQYLRYRRSOQRP-JSGCOSHPSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H](Cc1ccc(F)cc1)[NH2+]CCC[NH3+] ZINC000162421034 361351239 /nfs/dbraw/zinc/35/12/39/361351239.db2.gz TXWBRNMYQJXDTE-SNVBAGLBSA-N 2 0 210.296 1.695 20 0 BDADRP C[C@H]1C[C@@H](O)CC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000429169990 201076106 /nfs/dbraw/zinc/07/61/06/201076106.db2.gz VYYGIJIFEWIBHJ-AVGNSLFASA-N 2 0 226.364 1.316 20 0 BDADRP Cc1cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)n(C)n1 ZINC000579252022 366748861 /nfs/dbraw/zinc/74/88/61/366748861.db2.gz QTAKTJQWKVRHBI-MNOVXSKESA-N 2 0 222.336 1.088 20 0 BDADRP C[NH+](C)[C@H]1CCC[N@H+](CC[C@H]2CCCO2)CC1 ZINC000429528676 201112620 /nfs/dbraw/zinc/11/26/20/201112620.db2.gz NFCIRHWZMNOEOZ-UONOGXRCSA-N 2 0 240.391 1.972 20 0 BDADRP CCO[C@@H](C[NH2+][C@@H]1CC[NH2+]CC1(C)C)C1CC1 ZINC000629537702 361400746 /nfs/dbraw/zinc/40/07/46/361400746.db2.gz PVAUUQYKQKGCME-QWHCGFSZSA-N 2 0 240.391 1.779 20 0 BDADRP Cc1cncc([C@H](C)[NH2+]CCOCCC[NH3+])c1 ZINC000629537706 361401426 /nfs/dbraw/zinc/40/14/26/361401426.db2.gz KOXOOSFRVJYUSP-LBPRGKRZSA-N 2 0 237.347 1.406 20 0 BDADRP C[C@H]([NH2+]CCOCCC[NH3+])c1cncs1 ZINC000629537880 361402535 /nfs/dbraw/zinc/40/25/35/361402535.db2.gz LCGCYGACRFJBLQ-VIFPVBQESA-N 2 0 229.349 1.159 20 0 BDADRP CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629539221 361403374 /nfs/dbraw/zinc/40/33/74/361403374.db2.gz OZRZGEXHHJDWTO-RYUDHWBXSA-N 2 0 228.380 1.766 20 0 BDADRP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629539219 361403627 /nfs/dbraw/zinc/40/36/27/361403627.db2.gz OZRZGEXHHJDWTO-NEPJUHHUSA-N 2 0 228.380 1.766 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc[nH]c1=O ZINC000629544150 361412605 /nfs/dbraw/zinc/41/26/05/361412605.db2.gz HLHDULKZOKZTMP-BDAKNGLRSA-N 2 0 209.293 1.003 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)C1(C[NH3+])CCCC1 ZINC000429619469 201122704 /nfs/dbraw/zinc/12/27/04/201122704.db2.gz HMGUPAPFSYTWEE-LLVKDONJSA-N 2 0 241.379 1.139 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)C1(C[NH3+])CCCC1 ZINC000429653741 201123672 /nfs/dbraw/zinc/12/36/72/201123672.db2.gz QGAHSCMQDMNNHG-UHFFFAOYSA-N 2 0 241.379 1.139 20 0 BDADRP CCO[C@H](C[N@H+](C)CCC[NH2+]C)C1CC1 ZINC000629540704 361415186 /nfs/dbraw/zinc/41/51/86/361415186.db2.gz SNBQDXBQJXBJLB-GFCCVEGCSA-N 2 0 214.353 1.343 20 0 BDADRP CCC[C@H](C)CCC[NH+]1CCC(O)(C[NH3+])CC1 ZINC000629542895 361420617 /nfs/dbraw/zinc/42/06/17/361420617.db2.gz OIJCCWSTWMDOKT-ZDUSSCGKSA-N 2 0 242.407 1.988 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000629546754 361429740 /nfs/dbraw/zinc/42/97/40/361429740.db2.gz HHIPOHBAVPYTQE-QNWHQSFQSA-N 2 0 224.348 1.271 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000629547838 361432087 /nfs/dbraw/zinc/43/20/87/361432087.db2.gz VCDHKECESMWSKS-SYEHKZFSSA-N 2 0 208.349 1.905 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc[nH]c2=O)C1 ZINC000629548861 361434033 /nfs/dbraw/zinc/43/40/33/361434033.db2.gz ZUUWUKJWOXBMMT-WDEREUQCSA-N 2 0 221.304 1.147 20 0 BDADRP CCC[C@H](O)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000133620786 491158133 /nfs/dbraw/zinc/15/81/33/491158133.db2.gz QVBHBICECHQEPC-YPMHNXCESA-N 2 0 228.380 1.467 20 0 BDADRP C[N@@H+]1CCC[C@H]1CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000629551810 361444621 /nfs/dbraw/zinc/44/46/21/361444621.db2.gz XSHMJWSYGFSMPP-TUKIKUTGSA-N 2 0 245.370 1.815 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000629555620 361446919 /nfs/dbraw/zinc/44/69/19/361446919.db2.gz ZFAPBYKZOOZJFH-SDDRHHMPSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CC[NH2+]C1 ZINC000629555593 361446946 /nfs/dbraw/zinc/44/69/46/361446946.db2.gz YSQLWJCGNZOSCU-RWMBFGLXSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@@H]1CC[C@H](N[C@H]2CCCC[C@@H]2C[NH3+])C[NH2+]1 ZINC000629542024 361417987 /nfs/dbraw/zinc/41/79/87/361417987.db2.gz WXXWDCOZMQMHMN-NDBYEHHHSA-N 2 0 225.380 1.234 20 0 BDADRP C[C@H]1Cc2ccccc2[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629542203 361418499 /nfs/dbraw/zinc/41/84/99/361418499.db2.gz WPNGVMWMSLMKLL-WFASDCNBSA-N 2 0 248.370 1.875 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)[C@H](C)c1ccncc1 ZINC000629570194 361459565 /nfs/dbraw/zinc/45/95/65/361459565.db2.gz JGWIQPANORXSOW-GFCCVEGCSA-N 2 0 237.347 1.310 20 0 BDADRP CCC(C)(C)CC[N@H+](C)CCOCC[NH2+]C ZINC000629571463 361462874 /nfs/dbraw/zinc/46/28/74/361462874.db2.gz MQKNLAFTBDTONE-UHFFFAOYSA-N 2 0 230.396 1.981 20 0 BDADRP CC1(CC[NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000629580651 361469874 /nfs/dbraw/zinc/46/98/74/361469874.db2.gz YFLCAGJMYZVWFZ-LBPRGKRZSA-N 2 0 226.364 1.223 20 0 BDADRP COc1cccc2c1CN(C[C@H]1CC[NH2+]C1)C2 ZINC000629580570 361469888 /nfs/dbraw/zinc/46/98/88/361469888.db2.gz UYBZECAQSVMHNS-NSHDSACASA-N 2 0 232.327 1.620 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](CCN(C)c2ccccc2)C1 ZINC000430946580 201160321 /nfs/dbraw/zinc/16/03/21/201160321.db2.gz BABPRXMFTPSPAA-CQSZACIVSA-N 2 0 247.386 1.664 20 0 BDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C1CC(C)(C)C1 ZINC000433168608 201164008 /nfs/dbraw/zinc/16/40/08/201164008.db2.gz NYSKLAJYAKNIDE-GFCCVEGCSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](C[C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC000629592442 361485308 /nfs/dbraw/zinc/48/53/08/361485308.db2.gz CYYMVRPHGZWKIE-CUZDEVPKSA-N 2 0 234.387 1.964 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccn(C)c2)C1 ZINC000629647551 361537483 /nfs/dbraw/zinc/53/74/83/361537483.db2.gz ZEPWVRTZKWQOJP-JQWIXIFHSA-N 2 0 207.321 1.194 20 0 BDADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccn(C)c2)C[C@@H]1C[NH3+] ZINC000629648047 361539550 /nfs/dbraw/zinc/53/95/50/361539550.db2.gz FUJGJEJVFDBJBB-BZPMIXESSA-N 2 0 235.375 1.830 20 0 BDADRP COC1(C[NH2+]C[C@]2(C)CCC[NH2+]C2)CCCC1 ZINC000629648513 361540896 /nfs/dbraw/zinc/54/08/96/361540896.db2.gz VYCWTGWWQOATKE-CYBMUJFWSA-N 2 0 240.391 1.925 20 0 BDADRP Cc1cnccc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000629648352 361541324 /nfs/dbraw/zinc/54/13/24/361541324.db2.gz UFTRMMLZUPSUFE-LBPRGKRZSA-N 2 0 219.332 1.479 20 0 BDADRP COCc1ccc(C[NH2+][C@@H](C)CCC[NH3+])o1 ZINC000629649025 361542917 /nfs/dbraw/zinc/54/29/17/361542917.db2.gz FCGMICNANPRYGV-JTQLQIEISA-N 2 0 226.320 1.643 20 0 BDADRP CC1([NH2+]CC2=CCCOC2)CC[NH2+]CC1 ZINC000629649203 361543691 /nfs/dbraw/zinc/54/36/91/361543691.db2.gz LYOCBTIYCQSKOV-UHFFFAOYSA-N 2 0 210.321 1.065 20 0 BDADRP Cn1ccc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)c1 ZINC000629649582 361544364 /nfs/dbraw/zinc/54/43/64/361544364.db2.gz WHUOOQIAKLPLDD-LBPRGKRZSA-N 2 0 221.348 1.503 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+]CC1=CCCOC1 ZINC000629649463 361544729 /nfs/dbraw/zinc/54/47/29/361544729.db2.gz BSURFWCKFXXBQP-GFCCVEGCSA-N 2 0 212.337 1.296 20 0 BDADRP COC1(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)CCCC1 ZINC000629649506 361545027 /nfs/dbraw/zinc/54/50/27/361545027.db2.gz UHWIUDBPIWMJGD-NEPJUHHUSA-N 2 0 226.364 1.676 20 0 BDADRP Cn1ccc(CN2C[C@@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000629649789 361545844 /nfs/dbraw/zinc/54/58/44/361545844.db2.gz GLXHJSRDRMHSFL-QWHCGFSZSA-N 2 0 219.332 1.338 20 0 BDADRP Cc1cnccc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000629650642 361547619 /nfs/dbraw/zinc/54/76/19/361547619.db2.gz YNFJFBAZTHWEHK-MNOVXSKESA-N 2 0 207.321 1.605 20 0 BDADRP Cc1cnccc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000629650649 361548016 /nfs/dbraw/zinc/54/80/16/361548016.db2.gz YNFJFBAZTHWEHK-WDEREUQCSA-N 2 0 207.321 1.605 20 0 BDADRP CCC(CC)C[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000629653628 361553427 /nfs/dbraw/zinc/55/34/27/361553427.db2.gz RIFLZILMVSAOFT-UHFFFAOYSA-N 2 0 238.335 1.167 20 0 BDADRP C[C@]1(C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)CC[NH2+]C1 ZINC000629661857 361594874 /nfs/dbraw/zinc/59/48/74/361594874.db2.gz CYIKFPXLPXGARP-MELADBBJSA-N 2 0 238.375 1.080 20 0 BDADRP [NH3+]CCCOCC[NH2+]Cc1sccc1Cl ZINC000629682259 361603186 /nfs/dbraw/zinc/60/31/86/361603186.db2.gz ZMFSURXMGADUIQ-UHFFFAOYSA-N 2 0 248.779 1.857 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@H](C)C1(C)CC1 ZINC000153779042 201249250 /nfs/dbraw/zinc/24/92/50/201249250.db2.gz JHXHUMXPLZSQFE-GFCCVEGCSA-N 2 0 228.380 1.733 20 0 BDADRP [NH3+]C1CCC([NH2+]Cc2cccc(CO)c2)CC1 ZINC000227455221 181341840 /nfs/dbraw/zinc/34/18/40/181341840.db2.gz HOTCEGKJKUNUNZ-UHFFFAOYSA-N 2 0 234.343 1.538 20 0 BDADRP [NH3+]C1CCC([NH2+]Cc2ccc3c(c2)OCO3)CC1 ZINC000051693496 181341177 /nfs/dbraw/zinc/34/11/77/181341177.db2.gz ZQTNANBBBDPTIV-UHFFFAOYSA-N 2 0 248.326 1.775 20 0 BDADRP [NH3+]C1CCC([NH2+][C@@H]2CCn3ccnc32)CC1 ZINC000329310509 181342555 /nfs/dbraw/zinc/34/25/55/181342555.db2.gz ZLLVEQLCWFFTHJ-VQXHTEKXSA-N 2 0 220.320 1.187 20 0 BDADRP Cn1cc(C[N@H+](C)CC2CC[NH+](C)CC2)cn1 ZINC000154705382 201289983 /nfs/dbraw/zinc/28/99/83/201289983.db2.gz KTTQTXHRPKUWGJ-UHFFFAOYSA-N 2 0 236.363 1.194 20 0 BDADRP C[NH2+]CCC[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000435882044 201296185 /nfs/dbraw/zinc/29/61/85/201296185.db2.gz DCYQYELPPABLKZ-ZDUSSCGKSA-N 2 0 248.374 1.425 20 0 BDADRP C[NH2+]CCCN1CC[N@H+](C)CC12CCCCC2 ZINC000435881988 201296338 /nfs/dbraw/zinc/29/63/38/201296338.db2.gz CVWCGMABJHGXIW-UHFFFAOYSA-N 2 0 239.407 1.546 20 0 BDADRP C[NH2+]CCC[NH2+][C@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000435873138 201292840 /nfs/dbraw/zinc/29/28/40/201292840.db2.gz TYHNYAPAZZVXPW-GXTWGEPZSA-N 2 0 242.407 1.763 20 0 BDADRP C(C[NH+]1CCCC1)N1CC[NH+](CC2CC2)CC1 ZINC000155545887 201338406 /nfs/dbraw/zinc/33/84/06/201338406.db2.gz OOJMALIZBVGKPF-UHFFFAOYSA-N 2 0 237.391 1.110 20 0 BDADRP C[NH+](C)C[C@H]1CC[N@H+](CC[C@H]2CCOC2)C1 ZINC000437782783 201371861 /nfs/dbraw/zinc/37/18/61/201371861.db2.gz HCGJOALJKUHSFE-QWHCGFSZSA-N 2 0 226.364 1.297 20 0 BDADRP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCC[NH3+] ZINC000437805194 201376638 /nfs/dbraw/zinc/37/66/38/201376638.db2.gz WRAYFNBBZQBSBC-GFCCVEGCSA-N 2 0 249.358 1.651 20 0 BDADRP CC(C)(C)[C@@H]([NH3+])c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000630605956 364337617 /nfs/dbraw/zinc/33/76/17/364337617.db2.gz RDWIYCANELXZSC-KOLCDFICSA-N 2 0 237.351 1.076 20 0 BDADRP [NH3+]Cc1nccn1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000630583610 364285942 /nfs/dbraw/zinc/28/59/42/364285942.db2.gz KQHYHTHRVFRAGE-UHFFFAOYSA-N 2 0 242.326 1.036 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2cnc3ccccn23)CC1 ZINC000089201024 181365694 /nfs/dbraw/zinc/36/56/94/181365694.db2.gz XPLPQOQRRRWFTC-UHFFFAOYSA-N 2 0 244.342 1.505 20 0 BDADRP [NH3+]CC1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000036231123 181365392 /nfs/dbraw/zinc/36/53/92/181365392.db2.gz DZLQPQZEKXVBKG-GFCCVEGCSA-N 2 0 212.337 1.226 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000248144369 364627197 /nfs/dbraw/zinc/62/71/97/364627197.db2.gz PXYPDKUOEUJQEL-IJLUTSLNSA-N 2 0 214.353 1.076 20 0 BDADRP CC(C)[NH+]1CCC(N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000399006860 364693590 /nfs/dbraw/zinc/69/35/90/364693590.db2.gz YZNQUSGRPZFMCH-GXTWGEPZSA-N 2 0 239.407 1.589 20 0 BDADRP [NH3+]CCCC(=O)NCCC[NH+]1CCCCCC1 ZINC000163612785 181371229 /nfs/dbraw/zinc/37/12/29/181371229.db2.gz WGVSYBJEUATSEA-UHFFFAOYSA-N 2 0 241.379 1.108 20 0 BDADRP CC1(C)OCC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000336897532 364849632 /nfs/dbraw/zinc/84/96/32/364849632.db2.gz PJDQGUBOSYMZLD-YPMHNXCESA-N 2 0 238.375 1.628 20 0 BDADRP CC[C@@H]1C[N@H+](CCCc2cncn2C)CCO1 ZINC000573383331 364818643 /nfs/dbraw/zinc/81/86/43/364818643.db2.gz QWDLXHKFYQFETN-CYBMUJFWSA-N 2 0 237.347 1.464 20 0 BDADRP CCn1cc(C[NH2+]Cc2ccc(C[NH3+])cc2)cn1 ZINC000573488627 364845348 /nfs/dbraw/zinc/84/53/48/364845348.db2.gz BEYCXTUKYIIFOZ-UHFFFAOYSA-N 2 0 244.342 1.652 20 0 BDADRP CC1CC([NH2+]CC(C)(C)N2CC[NH+](C)CC2)C1 ZINC000231787409 541417228 /nfs/dbraw/zinc/41/72/28/541417228.db2.gz OCVSLWKHYCOYQB-UHFFFAOYSA-N 2 0 239.407 1.401 20 0 BDADRP C(C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)[C@@H]1CCCO1 ZINC000335011688 541419171 /nfs/dbraw/zinc/41/91/71/541419171.db2.gz XDYGYCZRKIBIQC-KBPBESRZSA-N 2 0 238.375 1.631 20 0 BDADRP CN(C(=O)c1ccc(C[NH3+])cc1)C1(C[NH3+])CCC1 ZINC000574086257 364985056 /nfs/dbraw/zinc/98/50/56/364985056.db2.gz OMNHMEUOFQPWRT-UHFFFAOYSA-N 2 0 247.342 1.099 20 0 BDADRP [NH3+]CCCN1CCc2ccc(F)cc2C1 ZINC000082790894 181381487 /nfs/dbraw/zinc/38/14/87/181381487.db2.gz GLUNAGUBVOMHIW-UHFFFAOYSA-N 2 0 208.280 1.533 20 0 BDADRP [NH3+]CCC[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000062618698 181383748 /nfs/dbraw/zinc/38/37/48/181383748.db2.gz PPWAWZXRSDKJEA-LBPRGKRZSA-N 2 0 238.306 1.978 20 0 BDADRP CC[NH2+]CCCN[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000574440885 365061899 /nfs/dbraw/zinc/06/18/99/365061899.db2.gz PLLZPFDOANPWRD-NEPJUHHUSA-N 2 0 225.380 1.201 20 0 BDADRP CC(C)[C@@H](C[NH3+])C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000433129086 192984993 /nfs/dbraw/zinc/98/49/93/192984993.db2.gz YIMAOISMMMEXMT-GXFFZTMASA-N 2 0 249.358 1.876 20 0 BDADRP CC1CC([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000442889188 193000933 /nfs/dbraw/zinc/00/09/33/193000933.db2.gz JIUVVFLPIRJVSW-UHFFFAOYSA-N 2 0 239.407 1.401 20 0 BDADRP Cc1n[nH]cc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442926513 193004956 /nfs/dbraw/zinc/00/49/56/193004956.db2.gz YVHLPOMWIGACKV-NSHDSACASA-N 2 0 222.336 1.279 20 0 BDADRP C[C@@H]1CC[N@H+](CCOCC[NH3+])[C@H]2CCCC[C@H]12 ZINC000574811300 365149032 /nfs/dbraw/zinc/14/90/32/365149032.db2.gz GXXSCERLXBWQHL-MCIONIFRSA-N 2 0 240.391 1.862 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)C[NH+](C)C ZINC000171390074 365196638 /nfs/dbraw/zinc/19/66/38/365196638.db2.gz LLJGNEJPPOBUEF-GFCCVEGCSA-N 2 0 243.395 1.175 20 0 BDADRP C[C@@H](O)[C@@H](C)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000575117117 365207186 /nfs/dbraw/zinc/20/71/86/365207186.db2.gz ZZUHPZZEQBCOOG-ZIAGYGMSSA-N 2 0 242.407 1.857 20 0 BDADRP [NH3+]Cc1ccc(C(=O)NCC[C@H]2CCC[NH2+]2)cc1 ZINC000444264608 193042494 /nfs/dbraw/zinc/04/24/94/193042494.db2.gz PRPDJLJONMLBER-CYBMUJFWSA-N 2 0 247.342 1.017 20 0 BDADRP CCn1cccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1=O ZINC000575762114 365358076 /nfs/dbraw/zinc/35/80/76/365358076.db2.gz IMHOWEKQNXVIEU-QWHCGFSZSA-N 2 0 249.358 1.228 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)C1 ZINC000575882027 365405030 /nfs/dbraw/zinc/40/50/30/365405030.db2.gz GJWVMTQVHASRCB-ITGHMWBKSA-N 2 0 238.375 1.804 20 0 BDADRP CC(C)CCOCCN1CC[C@H]([NH3+])[C@@H]1C ZINC000379900820 365438655 /nfs/dbraw/zinc/43/86/55/365438655.db2.gz FNKNNIGFJVBEGY-RYUDHWBXSA-N 2 0 214.353 1.471 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCN(C(C)(C)C)C1=O ZINC000576041197 365459529 /nfs/dbraw/zinc/45/95/29/365459529.db2.gz TZXVAOGBQTUQIF-WDEREUQCSA-N 2 0 241.379 1.103 20 0 BDADRP CC1(C)[C@@H]2C[N@@H+](CCCn3ccnc3)C[C@@H]21 ZINC000182797927 366944194 /nfs/dbraw/zinc/94/41/94/366944194.db2.gz VPZGEIUFAJRERE-TXEJJXNPSA-N 2 0 219.332 1.861 20 0 BDADRP CCN1CCC[C@H]([NH2+][C@H]2CCN(C)C[C@@H]2C)C1 ZINC000360242557 366918480 /nfs/dbraw/zinc/91/84/80/366918480.db2.gz PIEQDAZPTBSEOY-IHRRRGAJSA-N 2 0 239.407 1.401 20 0 BDADRP C[NH+](C)CC1CC[NH+](Cc2cncnc2)CC1 ZINC000350141686 541470764 /nfs/dbraw/zinc/47/07/64/541470764.db2.gz DPBBGCOPKQJVSP-UHFFFAOYSA-N 2 0 234.347 1.250 20 0 BDADRP CCCC[C@@H](COC)[NH2+]CC1CC[NH2+]CC1 ZINC000579701119 366982495 /nfs/dbraw/zinc/98/24/95/366982495.db2.gz CVXGLMIMDJBYGV-ZDUSSCGKSA-N 2 0 228.380 1.781 20 0 BDADRP COC[C@@H]1CCC[N@H+](CCCn2ccnc2)C1 ZINC000183178164 366988017 /nfs/dbraw/zinc/98/80/17/366988017.db2.gz QIKCYCSRBQVHOP-CYBMUJFWSA-N 2 0 237.347 1.632 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+][C@H](C)C[C@@H](C)[NH3+])CCO1 ZINC000579833435 367038416 /nfs/dbraw/zinc/03/84/16/367038416.db2.gz AVOQAFKICZQEMV-FDYHWXHSSA-N 2 0 228.380 1.907 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+]CC2(F)CC2)C1 ZINC000580938171 367210834 /nfs/dbraw/zinc/21/08/34/367210834.db2.gz WOJZYBHOZWQYQO-LLVKDONJSA-N 2 0 214.328 1.810 20 0 BDADRP C[C@@H]1[C@@H](C)CCN1Cc1nc(C(C)(C)[NH3+])no1 ZINC000380662473 367270077 /nfs/dbraw/zinc/27/00/77/367270077.db2.gz AYEBBCHGTBDBJV-DTWKUNHWSA-N 2 0 238.335 1.494 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000581132217 367272148 /nfs/dbraw/zinc/27/21/48/367272148.db2.gz DGGZHVPVMOWURG-WFASDCNBSA-N 3 0 247.386 1.575 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccoc1 ZINC000581005869 367231693 /nfs/dbraw/zinc/23/16/93/367231693.db2.gz XBAPBICXJUNRIM-SNVBAGLBSA-N 2 0 208.305 1.930 20 0 BDADRP C[C@@H]1[C@H](C)OCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000380582971 367246820 /nfs/dbraw/zinc/24/68/20/367246820.db2.gz YFPRKHLIUSXLMD-GRYCIOLGSA-N 2 0 212.337 1.095 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H](F)C2)C1 ZINC000581260169 367311868 /nfs/dbraw/zinc/31/18/68/367311868.db2.gz FESPGYYVXVXORF-ZNSHCXBVSA-N 2 0 200.301 1.737 20 0 BDADRP CC(C)OCCC[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000381714341 367450737 /nfs/dbraw/zinc/45/07/37/367450737.db2.gz KUZNSFLEVBFAAE-GFCCVEGCSA-N 2 0 214.353 1.472 20 0 BDADRP C[C@H](O)[C@H]1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000581489207 367519311 /nfs/dbraw/zinc/51/93/11/367519311.db2.gz PJBQJACLSLIDAG-RWMBFGLXSA-N 2 0 226.364 1.079 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC000383114516 367598443 /nfs/dbraw/zinc/59/84/43/367598443.db2.gz ATFRMYOXTQQSGA-VHSXEESVSA-N 2 0 218.291 1.891 20 0 BDADRP CC(C)[NH2+]CCC[NH2+][C@@H]1CCO[C@@H]1C ZINC000581661121 367661664 /nfs/dbraw/zinc/66/16/64/367661664.db2.gz NPBJOTWRYYVTCS-GHMZBOCLSA-N 2 0 200.326 1.142 20 0 BDADRP CCN1CC[C@@H]([NH2+]Cc2cccc(O)c2)C1 ZINC000383967543 367664230 /nfs/dbraw/zinc/66/42/30/367664230.db2.gz PVMCWANWEATKMC-GFCCVEGCSA-N 2 0 220.316 1.576 20 0 BDADRP C[C@H](C[NH2+][C@@H]1C[C@@H](C)O[C@H]1C)C[NH+](C)C ZINC000384864987 367746119 /nfs/dbraw/zinc/74/61/19/367746119.db2.gz FCJXJHJRQQVEBL-WISYIIOYSA-N 2 0 214.353 1.340 20 0 BDADRP C[C@H](C[NH2+][C@@H]1C[C@H](C)O[C@@H]1C)C[NH+]1CCCC1 ZINC000384871276 367747523 /nfs/dbraw/zinc/74/75/23/367747523.db2.gz ILMAGUZIKLLHBZ-XJFOESAGSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCC2CC[NH+](C)CC2)[C@H](C)O1 ZINC000384869096 367747699 /nfs/dbraw/zinc/74/76/99/367747699.db2.gz IEPZPCCVWRPZOR-MBNYWOFBSA-N 2 0 240.391 1.874 20 0 BDADRP Cc1cnccc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000384910887 367755970 /nfs/dbraw/zinc/75/59/70/367755970.db2.gz BVIJSEVGJPSDRB-FZMZJTMJSA-N 2 0 233.359 1.807 20 0 BDADRP [NH3+]CCC[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000581713696 367765408 /nfs/dbraw/zinc/76/54/08/367765408.db2.gz KOLOXKGSFHVKOM-LBPRGKRZSA-N 2 0 205.305 1.567 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@@H](C)O1 ZINC000385224285 367810775 /nfs/dbraw/zinc/81/07/75/367810775.db2.gz SXHNDPGLPRQNQY-KSTCHIGDSA-N 2 0 238.375 1.769 20 0 BDADRP CN(CCOCC(F)(F)F)C1(C[NH3+])CCC1 ZINC000385142548 367801579 /nfs/dbraw/zinc/80/15/79/367801579.db2.gz HUNIZOILNLUUSQ-UHFFFAOYSA-N 2 0 240.269 1.379 20 0 BDADRP CC(=O)Nc1ccc(C[N@@H+](C)C2CC([NH3+])C2)cc1 ZINC000385196847 367808090 /nfs/dbraw/zinc/80/80/90/367808090.db2.gz PFAHDPYDVZMNAQ-UHFFFAOYSA-N 2 0 247.342 1.567 20 0 BDADRP CC(C)(CO)CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000385881922 367873740 /nfs/dbraw/zinc/87/37/40/367873740.db2.gz LIBFHZMJZWYCPI-WDEREUQCSA-N 2 0 214.353 1.255 20 0 BDADRP Cc1cccnc1CN(C)C1(C[NH3+])CCC1 ZINC000385290787 367817552 /nfs/dbraw/zinc/81/75/52/367817552.db2.gz CMMHLEWGTZMNRG-UHFFFAOYSA-N 2 0 219.332 1.703 20 0 BDADRP CC[NH+]1CCC(N[C@@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000386067848 367907734 /nfs/dbraw/zinc/90/77/34/367907734.db2.gz YXSJAKQLQLLDLB-JSGCOSHPSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)NCC[NH2+]C(C)(C)C ZINC000566230269 326018986 /nfs/dbraw/zinc/01/89/86/326018986.db2.gz WZCMFSQWDZCLMO-ZJUUUORDSA-N 2 0 201.358 1.090 20 0 BDADRP C[C@@H]([NH2+]CCC(C)(C)CO)[C@H]1CCCC[NH2+]1 ZINC000386025817 367899367 /nfs/dbraw/zinc/89/93/67/367899367.db2.gz PQXKGOKQOMLSHG-VXGBXAGGSA-N 2 0 228.380 1.515 20 0 BDADRP CC[C@H](CN[C@@H](C)[C@H]1CCCC[NH2+]1)OC ZINC000386612512 368002286 /nfs/dbraw/zinc/00/22/86/368002286.db2.gz WWFQEBMXFVEMOK-QJPTWQEYSA-N 2 0 214.353 1.532 20 0 BDADRP C[C@@H](NCCC[NH+](C)C)[C@@H]1CCCC[NH2+]1 ZINC000386552033 367991107 /nfs/dbraw/zinc/99/11/07/367991107.db2.gz HCOUWFYXWLYUTF-NEPJUHHUSA-N 2 0 213.369 1.058 20 0 BDADRP CC[N@H+](C)CCN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386575483 367994022 /nfs/dbraw/zinc/99/40/22/367994022.db2.gz NBHLPOKCNABZMG-NWDGAFQWSA-N 2 0 213.369 1.058 20 0 BDADRP C[C@H]([NH2+]CCCCCO)[C@H]1CCCC[NH2+]1 ZINC000386580822 367996612 /nfs/dbraw/zinc/99/66/12/367996612.db2.gz OSOPVGPUDPUDOY-NWDGAFQWSA-N 2 0 214.353 1.269 20 0 BDADRP CCOCCC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386605586 368000357 /nfs/dbraw/zinc/00/03/57/368000357.db2.gz VQQUVYNTTRCVEQ-RYUDHWBXSA-N 2 0 214.353 1.533 20 0 BDADRP COCCCC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386604855 368000409 /nfs/dbraw/zinc/00/04/09/368000409.db2.gz VOYMHULCXJDBPU-NWDGAFQWSA-N 2 0 214.353 1.533 20 0 BDADRP COCCOCCC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386377283 367958498 /nfs/dbraw/zinc/95/84/98/367958498.db2.gz CIFHZTJDKKLNLX-STQMWFEESA-N 2 0 244.379 1.160 20 0 BDADRP C[C@H](NCC[NH+]1CCCC1)[C@H]1CCCC[NH2+]1 ZINC000386464874 367979090 /nfs/dbraw/zinc/97/90/90/367979090.db2.gz PTCIWSKHQGTLSP-QWHCGFSZSA-N 2 0 225.380 1.202 20 0 BDADRP CCC[N@H+](CC)CCN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386483530 367980323 /nfs/dbraw/zinc/98/03/23/367980323.db2.gz SNGPCMRPTCYFTE-UONOGXRCSA-N 2 0 241.423 1.839 20 0 BDADRP C[C@H](c1cnccn1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000386696304 368011182 /nfs/dbraw/zinc/01/11/82/368011182.db2.gz OXVGPGCPZNJILJ-UPJWGTAASA-N 2 0 246.358 1.469 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H](CC)[C@H](C)O)CC1 ZINC000386772063 368020673 /nfs/dbraw/zinc/02/06/73/368020673.db2.gz KNVVSEQLQVZCHE-WCQYABFASA-N 2 0 228.380 1.610 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000252948632 368170059 /nfs/dbraw/zinc/17/00/59/368170059.db2.gz NSJDHYNXWSGIPZ-YNEHKIRRSA-N 2 0 228.380 1.730 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)[C@@H](O)C(C)C ZINC000566482370 326055576 /nfs/dbraw/zinc/05/55/76/326055576.db2.gz NCOJRXVXRLZUGT-RNJOBUHISA-N 2 0 228.380 1.641 20 0 BDADRP CC[NH+](CC)Cc1ccc(CNC(N)=[NH2+])cc1 ZINC000057887573 368503336 /nfs/dbraw/zinc/50/33/36/368503336.db2.gz PLZXMYMYLLCGCB-UHFFFAOYSA-N 2 0 234.347 1.511 20 0 BDADRP CC(C)COCCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000086402404 368880229 /nfs/dbraw/zinc/88/02/29/368880229.db2.gz WLONOFSUKCPRSY-QWHCGFSZSA-N 2 0 228.380 1.909 20 0 BDADRP CC(C)[N@H+](C)CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000086404009 368880336 /nfs/dbraw/zinc/88/03/36/368880336.db2.gz FVRSWMCZNYKKQA-NWDGAFQWSA-N 2 0 213.369 1.186 20 0 BDADRP CO[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623809064 368957028 /nfs/dbraw/zinc/95/70/28/368957028.db2.gz OVAPKNITDVITSQ-IJLUTSLNSA-N 2 0 226.364 1.626 20 0 BDADRP COCC(C)(C)C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623657115 368997270 /nfs/dbraw/zinc/99/72/70/368997270.db2.gz KBCYJHZTEHMYSH-CYBMUJFWSA-N 2 0 242.407 1.981 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)[C@H](C)O1 ZINC000623657134 368998136 /nfs/dbraw/zinc/99/81/36/368998136.db2.gz KIPXFXNWIXXATD-RFGFWPKPSA-N 2 0 240.391 1.874 20 0 BDADRP Cc1nccnc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000631823814 368985976 /nfs/dbraw/zinc/98/59/76/368985976.db2.gz OJNSLMQIONPSEE-YNEHKIRRSA-N 2 0 246.358 1.344 20 0 BDADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2CCOC2)C1 ZINC000623655773 368991858 /nfs/dbraw/zinc/99/18/58/368991858.db2.gz FCVCHOGWKOABFT-NEPJUHHUSA-N 2 0 212.337 1.097 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[C@@H]([NH3+])C[C@H]1C ZINC000567482892 326201729 /nfs/dbraw/zinc/20/17/29/326201729.db2.gz APVBIDLBCRYNGQ-UTUOFQBUSA-N 2 0 213.369 1.171 20 0 BDADRP Cc1cc(NC(=O)CN(C)C)ccc1C[NH+](C)C ZINC000458294298 203155195 /nfs/dbraw/zinc/15/51/95/203155195.db2.gz VVBOQOZNYRNHTM-UHFFFAOYSA-N 2 0 249.358 1.557 20 0 BDADRP Cn1cncc1CC[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000459387715 203272409 /nfs/dbraw/zinc/27/24/09/203272409.db2.gz JVMMTKNUGZTZMO-CYBMUJFWSA-N 2 0 235.331 1.073 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@H](C)O)[C@@H](C)C1 ZINC000459382367 203270500 /nfs/dbraw/zinc/27/05/00/203270500.db2.gz SYKDGORQPBJIEC-SDDRHHMPSA-N 2 0 214.353 1.029 20 0 BDADRP Cc1cc(C[NH2+]CC2(C)CC[NH+](C)CC2)no1 ZINC000459471562 203287003 /nfs/dbraw/zinc/28/70/03/203287003.db2.gz UZYWARKULKTTOQ-UHFFFAOYSA-N 2 0 237.347 1.805 20 0 BDADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]C[C@H](C)O ZINC000459407343 203277380 /nfs/dbraw/zinc/27/73/80/203277380.db2.gz LXPSYKMCRJPCMG-MJBXVCDLSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@@H]1CN(C)C[C@H]1[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459724939 203341992 /nfs/dbraw/zinc/34/19/92/203341992.db2.gz FJASZJHSBOYESI-HZSPNIEDSA-N 2 0 239.407 1.258 20 0 BDADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCSC2)C1 ZINC000459722417 203342313 /nfs/dbraw/zinc/34/23/13/203342313.db2.gz BHQAUPXNXXKSQU-NWDGAFQWSA-N 2 0 228.405 1.813 20 0 BDADRP C[N@@H+]1CCC[C@@H](CC[NH2+]CC2=CCCOC2)C1 ZINC000459734195 203346268 /nfs/dbraw/zinc/34/62/68/203346268.db2.gz OHIGKVBDVAGSAZ-ZDUSSCGKSA-N 2 0 238.375 1.655 20 0 BDADRP CC[C@@H]1OCC[C@H]1[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000459746821 203353198 /nfs/dbraw/zinc/35/31/98/203353198.db2.gz VJAKRBPJQGIHTK-WVWOOGAGSA-N 2 0 238.375 1.769 20 0 BDADRP CC(C)C[C@@H](C)C[NH+]1CCC([NH2+]CCO)CC1 ZINC000631862745 369583984 /nfs/dbraw/zinc/58/39/84/369583984.db2.gz MYKNNNYSECCMJB-CYBMUJFWSA-N 2 0 242.407 1.715 20 0 BDADRP C[C@H](CCC[NH3+])NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621658309 370415566 /nfs/dbraw/zinc/41/55/66/370415566.db2.gz FABJGXXAHKWVNP-NEPJUHHUSA-N 2 0 241.379 1.010 20 0 BDADRP CCn1cc(CC[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cn1 ZINC000621774416 370520544 /nfs/dbraw/zinc/52/05/44/370520544.db2.gz SVERGSYBRVRYMZ-AAEUAGOBSA-N 2 0 236.363 1.115 20 0 BDADRP Cc1nccnc1C[N@H+](C)CCCn1ccnc1 ZINC000621727570 370480606 /nfs/dbraw/zinc/48/06/06/370480606.db2.gz ITFPUKAUMXQRDC-UHFFFAOYSA-N 2 0 245.330 1.504 20 0 BDADRP CCn1nccc1CC[NH+]1CCC(C)([NH3+])CC1 ZINC000621775415 370522594 /nfs/dbraw/zinc/52/25/94/370522594.db2.gz OLTGCUBXVMPSEV-UHFFFAOYSA-N 2 0 236.363 1.259 20 0 BDADRP CC[C@@H]1C[N@H+](Cc2ccnc(C)c2)CC[C@@H]1[NH3+] ZINC000621775348 370522918 /nfs/dbraw/zinc/52/29/18/370522918.db2.gz MQCPAHIKBWKTGK-KGLIPLIRSA-N 2 0 233.359 1.949 20 0 BDADRP CCn1nccc1CC[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000621775372 370522978 /nfs/dbraw/zinc/52/29/78/370522978.db2.gz NBQWYIULHKTSBV-VXGBXAGGSA-N 2 0 236.363 1.115 20 0 BDADRP Cc1cc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)ccn1 ZINC000621775796 370523180 /nfs/dbraw/zinc/52/31/80/370523180.db2.gz YYVXXWMFBUNHSI-WCQYABFASA-N 2 0 219.332 1.559 20 0 BDADRP Cc1cc(CN2CC3CC2(C[NH3+])C3)ccn1 ZINC000621776217 370524045 /nfs/dbraw/zinc/52/40/45/370524045.db2.gz FXRQSLLKHPPWFI-UHFFFAOYSA-N 2 0 217.316 1.313 20 0 BDADRP CC1(C)COC[C@@H]1[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000313012539 370561760 /nfs/dbraw/zinc/56/17/60/370561760.db2.gz BDAIFBALGGYUHV-VWYCJHECSA-N 2 0 212.337 1.271 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CCCCO2)C1 ZINC000623867092 371134276 /nfs/dbraw/zinc/13/42/76/371134276.db2.gz QQJQFOGHRXIEGW-MJBXVCDLSA-N 2 0 240.391 1.875 20 0 BDADRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000631055865 371173906 /nfs/dbraw/zinc/17/39/06/371173906.db2.gz AKIPAKXAZPYZNQ-ZDUSSCGKSA-N 2 0 249.358 1.609 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1CCCCO1 ZINC000624009084 371246361 /nfs/dbraw/zinc/24/63/61/371246361.db2.gz OKVMJCMEXYYXRK-FQUUOJAGSA-N 2 0 240.391 1.874 20 0 BDADRP [NH3+][C@@H]1C[C@H](N[C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000332037788 181599122 /nfs/dbraw/zinc/59/91/22/181599122.db2.gz XGXLMGXNMSKJDI-HONMWMINSA-N 2 0 231.343 1.473 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1NCC[NH2+]C1CCCCCC1 ZINC000331534392 181646190 /nfs/dbraw/zinc/64/61/90/181646190.db2.gz PVMCACHSJVIAPP-KBPBESRZSA-N 2 0 239.407 1.768 20 0 BDADRP O[C@H]1C[C@@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000624218898 371407772 /nfs/dbraw/zinc/40/77/72/371407772.db2.gz FKZFMRBENDJJOJ-XBXGTLAGSA-N 2 0 238.375 1.221 20 0 BDADRP O[C@@H]1CCN(CC[NH2+][C@@H]2CC[C@H]2C2CCC2)C1 ZINC000624230849 371418533 /nfs/dbraw/zinc/41/85/33/371418533.db2.gz JGEXREUWFVTGER-HZSPNIEDSA-N 2 0 238.375 1.221 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000631168210 372216168 /nfs/dbraw/zinc/21/61/68/372216168.db2.gz BMXOYWYBOGZWGG-TXEJJXNPSA-N 2 0 235.331 1.217 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000631666638 372492520 /nfs/dbraw/zinc/49/25/20/372492520.db2.gz GNYWTRUUYMDDCO-BFHYXJOUSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C[C@H]1CCO[C@H]1C ZINC000631822909 372600545 /nfs/dbraw/zinc/60/05/45/372600545.db2.gz RPWTXTPAHAUKMR-WRWGMCAJSA-N 2 0 212.337 1.081 20 0 BDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@@H]1CCO[C@@H]1C ZINC000631822167 372599359 /nfs/dbraw/zinc/59/93/59/372599359.db2.gz UZFHFARMNHNHIY-FRRDWIJNSA-N 2 0 228.380 1.717 20 0 BDADRP C[C@H]1OCC[C@@H]1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000631829637 372610223 /nfs/dbraw/zinc/61/02/23/372610223.db2.gz WNSIVSKVZWOFPN-MQYQWHSLSA-N 2 0 238.375 1.472 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000631828883 372611634 /nfs/dbraw/zinc/61/16/34/372611634.db2.gz AVLKNNBJXCLRNI-IRCOFANPSA-N 2 0 212.337 1.271 20 0 BDADRP Cc1cc(C)n(CC[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000631837069 372627268 /nfs/dbraw/zinc/62/72/68/372627268.db2.gz MJSHGBRMLQLKPE-ZWNOBZJWSA-N 2 0 236.363 1.027 20 0 BDADRP Cc1cncc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000631837126 372627858 /nfs/dbraw/zinc/62/78/58/372627858.db2.gz NCBNXNJQVQHGSW-WCQYABFASA-N 2 0 219.332 1.417 20 0 BDADRP COc1cccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000631838944 372633610 /nfs/dbraw/zinc/63/36/10/372633610.db2.gz XHXREPUQNAOPIU-WCQYABFASA-N 2 0 234.343 1.722 20 0 BDADRP CC[NH+](CC)CCCN1C[C@H]([NH3+])C[C@H]1C ZINC000631863226 372667071 /nfs/dbraw/zinc/66/70/71/372667071.db2.gz YJZDZQFEGUQYEU-VXGBXAGGSA-N 2 0 213.369 1.140 20 0 BDADRP CC1(F)CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000631866870 372668226 /nfs/dbraw/zinc/66/82/26/372668226.db2.gz BCQDIHPESPWGMS-NSHDSACASA-N 2 0 214.328 1.810 20 0 BDADRP CC1(C)CCCC[C@@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000414863834 205775870 /nfs/dbraw/zinc/77/58/70/205775870.db2.gz JIGCZKHPYAIJDQ-ZDUSSCGKSA-N 2 0 239.407 1.450 20 0 BDADRP Cc1nocc1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459733389 206014024 /nfs/dbraw/zinc/01/40/24/206014024.db2.gz GNHZFIRJVLADCL-LBPRGKRZSA-N 2 0 237.347 1.805 20 0 BDADRP C[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])CCO1 ZINC000424379563 206038392 /nfs/dbraw/zinc/03/83/92/206038392.db2.gz VQJFCBHBIZSYDV-IRCOFANPSA-N 2 0 212.337 1.413 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])[C@H]1CCCO1 ZINC000424382144 206039557 /nfs/dbraw/zinc/03/95/57/206039557.db2.gz ZXHUIMBCCFTDHJ-IRCOFANPSA-N 2 0 212.337 1.413 20 0 BDADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CCC[C@H]1O ZINC000424377893 206039770 /nfs/dbraw/zinc/03/97/70/206039770.db2.gz NDRMWHSMBYMUSQ-LERXQTSPSA-N 2 0 249.358 1.413 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])CCO1 ZINC000424379565 206039860 /nfs/dbraw/zinc/03/98/60/206039860.db2.gz VQJFCBHBIZSYDV-WRWGMCAJSA-N 2 0 212.337 1.413 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])[C@@H]1CCCOC1 ZINC000424381730 206040289 /nfs/dbraw/zinc/04/02/89/206040289.db2.gz ZMJBJZDCKGOVCW-FDYHWXHSSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424378098 206040501 /nfs/dbraw/zinc/04/05/01/206040501.db2.gz SBMWTJGLMJHDDA-WISYIIOYSA-N 2 0 212.337 1.271 20 0 BDADRP COC[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000224437579 259575111 /nfs/dbraw/zinc/57/51/11/259575111.db2.gz HXDIZHICRZPJHC-SDDRHHMPSA-N 2 0 214.353 1.484 20 0 BDADRP OCCCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000300292155 183046639 /nfs/dbraw/zinc/04/66/39/183046639.db2.gz WNMLGVMIACJEGE-MGPQQGTHSA-N 2 0 240.391 1.659 20 0 BDADRP OCCCC[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000365872883 183050756 /nfs/dbraw/zinc/05/07/56/183050756.db2.gz WYFXFIOFRXJEGY-UHFFFAOYSA-N 2 0 240.391 1.756 20 0 BDADRP O[C@@H](C[NH2+][C@H]1CCC12CCC2)C[NH+]1CCCC1 ZINC000337533451 183180164 /nfs/dbraw/zinc/18/01/64/183180164.db2.gz WJJCQCQQUROCLI-STQMWFEESA-N 2 0 238.375 1.365 20 0 BDADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)C(C)C ZINC000356792027 169075932 /nfs/dbraw/zinc/07/59/32/169075932.db2.gz VWQGGAKKASEBHF-GFCCVEGCSA-N 2 0 243.395 1.173 20 0 BDADRP O[C@H](C[NH2+]C1CCCCCC1)C[NH+]1CCCC1 ZINC000037859736 183222962 /nfs/dbraw/zinc/22/29/62/183222962.db2.gz XCYGQQZTNGJXSC-CQSZACIVSA-N 2 0 240.391 1.756 20 0 BDADRP CCC[N@H+](CCC[NH3+])C[C@H]1CCCCO1 ZINC000036230896 169156923 /nfs/dbraw/zinc/15/69/23/169156923.db2.gz SDXKAGMFKKRHPA-GFCCVEGCSA-N 2 0 214.353 1.616 20 0 BDADRP CCC[NH+]1CCC([NH2+]C2CCC([NH3+])CC2)CC1 ZINC000051692901 169188276 /nfs/dbraw/zinc/18/82/76/169188276.db2.gz RPKQSZQQXFHTDL-UHFFFAOYSA-N 3 0 239.407 1.720 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H]2CCO[C@H]2C)CC1 ZINC000119911612 169189327 /nfs/dbraw/zinc/18/93/27/169189327.db2.gz LVSWQVNTDGQRBU-WCQYABFASA-N 2 0 226.364 1.628 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@@H]2C[C@@H]2C)C1 ZINC000336764432 169206935 /nfs/dbraw/zinc/20/69/35/169206935.db2.gz PXSSUWJPSMANDS-XQQFMLRXSA-N 2 0 210.365 1.964 20 0 BDADRP CCC[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375903452 169208587 /nfs/dbraw/zinc/20/85/87/169208587.db2.gz PCBSAVZBOZXDMK-AWEZNQCLSA-N 2 0 239.407 1.497 20 0 BDADRP CCC[NH2+]CCNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000236767359 169258375 /nfs/dbraw/zinc/25/83/75/169258375.db2.gz OTNXIGLXUUORRA-CYBMUJFWSA-N 2 0 249.358 1.192 20 0 BDADRP c1[nH+]cn2cc(C[NH2+]CC3CC3)ccc12 ZINC000297566554 183375488 /nfs/dbraw/zinc/37/54/88/183375488.db2.gz QVPYYEFTTWELQO-UHFFFAOYSA-N 2 0 201.273 1.834 20 0 BDADRP CCC[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000037859739 169370093 /nfs/dbraw/zinc/37/00/93/169370093.db2.gz RCTOVUQUSIHELN-NEPJUHHUSA-N 2 0 214.353 1.221 20 0 BDADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@@H](C)C[NH+](C)C ZINC000360185001 169398933 /nfs/dbraw/zinc/39/89/33/169398933.db2.gz OMBWHNRIHDACHZ-NWDGAFQWSA-N 2 0 243.395 1.219 20 0 BDADRP C[C@@H](O)CC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000181137022 134336518 /nfs/dbraw/zinc/33/65/18/134336518.db2.gz UGUWOWOPXXZSDW-YNEHKIRRSA-N 2 0 242.407 1.856 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@H]1CCSC1 ZINC000224403733 134346657 /nfs/dbraw/zinc/34/66/57/134346657.db2.gz MEFSSKRRKUVNOU-GHMZBOCLSA-N 2 0 216.394 1.669 20 0 BDADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)CCC[NH3+] ZINC000237075544 383862465 /nfs/dbraw/zinc/86/24/65/383862465.db2.gz IADPLDAGVSEJIS-GFCCVEGCSA-N 2 0 241.379 1.058 20 0 BDADRP CC[NH+]1CCC(C[NH2+]C[C@H](OC)C2CC2)CC1 ZINC000400193648 383866789 /nfs/dbraw/zinc/86/67/89/383866789.db2.gz YJXQHGXPVQQOCQ-AWEZNQCLSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H](NC[C@H](C)C[NH+](C)C)c1ccccn1 ZINC000293836815 383870402 /nfs/dbraw/zinc/87/04/02/383870402.db2.gz WTGCVUIYSPJRIH-NWDGAFQWSA-N 2 0 221.348 1.930 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@H](C)CCCC[NH3+] ZINC000308638254 383829161 /nfs/dbraw/zinc/82/91/61/383829161.db2.gz BVKJBOJIQHXCLN-MNOVXSKESA-N 2 0 202.342 1.255 20 0 BDADRP CC[C@H](O)[C@H](CC)[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000313131321 383923742 /nfs/dbraw/zinc/92/37/42/383923742.db2.gz CAKGOTJRCRKNKN-NDBYEHHHSA-N 2 0 228.380 1.608 20 0 BDADRP CC[C@H](O)[C@H](CC)[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000313131320 383924641 /nfs/dbraw/zinc/92/46/41/383924641.db2.gz CAKGOTJRCRKNKN-CYDGBPFRSA-N 2 0 228.380 1.608 20 0 BDADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+]([C@H]1CCOC1)C2 ZINC000643611309 383928680 /nfs/dbraw/zinc/92/86/80/383928680.db2.gz JFOYBJKGKQLLBJ-STQMWFEESA-N 2 0 224.348 1.193 20 0 BDADRP CC[C@@H]1CN(C(=O)CCC(C)(C)[NH3+])CC[C@@H]1[NH3+] ZINC000648124984 383883703 /nfs/dbraw/zinc/88/37/03/383883703.db2.gz HISLQXSQLUNWOE-MNOVXSKESA-N 2 0 241.379 1.090 20 0 BDADRP CC[C@@](C)(C[NH3+])c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000647148032 383889455 /nfs/dbraw/zinc/88/94/55/383889455.db2.gz DJURQPFHRYBSOF-KWQFWETISA-N 2 0 224.308 1.121 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000647148678 383896367 /nfs/dbraw/zinc/89/63/67/383896367.db2.gz UZQRUMXIRKZQNT-UTLUCORTSA-N 2 0 236.319 1.350 20 0 BDADRP C(C[C@@H]1CCC[NH2+]1)c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000647148351 383899208 /nfs/dbraw/zinc/89/92/08/383899208.db2.gz MBVPQDFUVIVQTE-UWVGGRQHSA-N 2 0 236.319 1.179 20 0 BDADRP CC[C@H](O)[C@H](CC)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000313113647 383903597 /nfs/dbraw/zinc/90/35/97/383903597.db2.gz NXFAGOXNDCOFOF-KBPBESRZSA-N 2 0 242.407 1.998 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCCC[NH3+])c2nccn21 ZINC000345362106 383967050 /nfs/dbraw/zinc/96/70/50/383967050.db2.gz VDPHDCLJVOLIDB-ZJUUUORDSA-N 2 0 208.309 1.217 20 0 BDADRP COC[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)C1CC1 ZINC000643545992 384015357 /nfs/dbraw/zinc/01/53/57/384015357.db2.gz GTZXCRNAFWPMGY-CHWSQXEVSA-N 2 0 238.375 1.676 20 0 BDADRP CCOC[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000313250737 384152730 /nfs/dbraw/zinc/15/27/30/384152730.db2.gz SWKHRQJCLCCVFD-UONOGXRCSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)CCC(C)(C)[NH3+] ZINC000648136541 384156199 /nfs/dbraw/zinc/15/61/99/384156199.db2.gz SYPKUNIVEPSLAH-FOGDFJRCSA-N 2 0 241.379 1.007 20 0 BDADRP c1cncc(C[NH2+]CC2CC[NH2+]CC2)c1 ZINC000040719311 384163719 /nfs/dbraw/zinc/16/37/19/384163719.db2.gz UKXMFZQOZMMFAB-UHFFFAOYSA-N 2 0 205.305 1.171 20 0 BDADRP COC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000163664775 384208080 /nfs/dbraw/zinc/20/80/80/384208080.db2.gz HBOCQKPTLQONLS-YFKTTZPYSA-N 2 0 212.337 1.081 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCn2ccnc2C1)c1ncc[nH]1 ZINC000560548378 384216379 /nfs/dbraw/zinc/21/63/79/384216379.db2.gz NURFOZIACBGBDJ-NXEZZACHSA-N 2 0 231.303 1.272 20 0 BDADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000069626414 384247586 /nfs/dbraw/zinc/24/75/86/384247586.db2.gz ROKSDDMYNNSBBX-GFCCVEGCSA-N 2 0 219.332 1.642 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CN(C3CC3)C[C@H]2C)CO1 ZINC000566215662 384250533 /nfs/dbraw/zinc/25/05/33/384250533.db2.gz LEJRKJYOGCXYBJ-HNCHTBHHSA-N 2 0 224.348 1.236 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000236216250 384251484 /nfs/dbraw/zinc/25/14/84/384251484.db2.gz XOZRTNPTHUQSGS-DZGCQCFKSA-N 2 0 230.355 1.871 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](CC[C@@H]2CCCO2)C[C@H]1C[NH3+] ZINC000397476081 384252456 /nfs/dbraw/zinc/25/24/56/384252456.db2.gz GWVQDZBLSHILBK-RQJABVFESA-N 2 0 240.391 1.861 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCC2CC[NH+](C)CC2)CO1 ZINC000401908123 384254638 /nfs/dbraw/zinc/25/46/38/384254638.db2.gz VBFUSWNICUXGPH-DGCLKSJQSA-N 2 0 226.364 1.485 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@H]1C ZINC000300023632 384277864 /nfs/dbraw/zinc/27/78/64/384277864.db2.gz HMSGUIDVKUAQSV-GRYCIOLGSA-N 2 0 214.353 1.519 20 0 BDADRP [NH3+]Cc1ccccc1OCC[C@H]1CC[NH2+]C1 ZINC000644168579 384265199 /nfs/dbraw/zinc/26/51/99/384265199.db2.gz KFGOSKCXRRPLCF-LLVKDONJSA-N 2 0 220.316 1.524 20 0 BDADRP C[C@@H]1C[C@H]([N@H+](C)CC2CC[NH2+]CC2)CCN1C ZINC000132992367 384266443 /nfs/dbraw/zinc/26/64/43/384266443.db2.gz NKXJFJKKLJMUBG-TZMCWYRMSA-N 3 0 239.407 1.401 20 0 BDADRP CCC[C@@H](C)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313340141 384271618 /nfs/dbraw/zinc/27/16/18/384271618.db2.gz LPYMHHAPDHKGQF-NEPJUHHUSA-N 2 0 214.353 1.472 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CO[C@H](C)C2)C1 ZINC000401899545 384242165 /nfs/dbraw/zinc/24/21/65/384242165.db2.gz PPAHQHUBRRYUSZ-IJLUTSLNSA-N 2 0 212.337 1.095 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCCCC2)CO1 ZINC000401914279 384279640 /nfs/dbraw/zinc/27/96/40/384279640.db2.gz ZNEKANLIRNCGKF-OLZOCXBDSA-N 2 0 226.364 1.629 20 0 BDADRP Clc1cnccc1NC[C@@H]1C[NH2+]CCO1 ZINC000147226265 384281155 /nfs/dbraw/zinc/28/11/55/384281155.db2.gz UPQSSCNSJHRPGN-QMMMGPOBSA-N 2 0 227.695 1.135 20 0 BDADRP CCOCC[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000173919800 384286684 /nfs/dbraw/zinc/28/66/84/384286684.db2.gz WUXOEDFJLXNEBG-LBPRGKRZSA-N 2 0 214.353 1.297 20 0 BDADRP C[C@H](C[NH3+])CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000237567397 384296547 /nfs/dbraw/zinc/29/65/47/384296547.db2.gz RYDMLZGTKWVXLF-LLVKDONJSA-N 2 0 249.358 1.073 20 0 BDADRP Cc1ncsc1CC[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000405445094 384341378 /nfs/dbraw/zinc/34/13/78/384341378.db2.gz FLPXLTOBSMARBR-MNOVXSKESA-N 2 0 239.388 1.709 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCC[NH+]2CCC(C)CC2)CO1 ZINC000401973424 384357342 /nfs/dbraw/zinc/35/73/42/384357342.db2.gz PUGDZXPGJXFDDG-KBPBESRZSA-N 2 0 240.391 1.875 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]CC[C@H](C)[NH3+])C1(C)C ZINC000300380759 384359849 /nfs/dbraw/zinc/35/98/49/384359849.db2.gz DJEGGWAAHCEMMQ-GARJFASQSA-N 2 0 214.353 1.517 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]([NH3+])CC)C1(C)C ZINC000300381756 384362544 /nfs/dbraw/zinc/36/25/44/384362544.db2.gz FQYFWHLWBOCEIA-GMTAPVOTSA-N 2 0 214.353 1.517 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]([NH3+])CC)C1(C)C ZINC000300381757 384363548 /nfs/dbraw/zinc/36/35/48/384363548.db2.gz FQYFWHLWBOCEIA-OUAUKWLOSA-N 2 0 214.353 1.517 20 0 BDADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCCSC2)CC1 ZINC000335600505 384370549 /nfs/dbraw/zinc/37/05/49/384370549.db2.gz DDKVNDVSAZEPKF-GFCCVEGCSA-N 2 0 226.389 1.734 20 0 BDADRP Cc1nnsc1CN[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000405516223 384398781 /nfs/dbraw/zinc/39/87/81/384398781.db2.gz URKBAHNRXLLSDM-DTWKUNHWSA-N 2 0 226.349 1.062 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](CCc2ccccc2)C1 ZINC000235707290 384399267 /nfs/dbraw/zinc/39/92/67/384399267.db2.gz AAUAJOPHONLHPR-CQSZACIVSA-N 2 0 218.344 1.900 20 0 BDADRP CN(CCC[NH3+])Cc1ccc(F)c(F)c1 ZINC000084480066 384399650 /nfs/dbraw/zinc/39/96/50/384399650.db2.gz RYGKESQBKPFGEM-UHFFFAOYSA-N 2 0 214.259 1.745 20 0 BDADRP C[C@@H]1CCC[C@@H](C[NH+]2CCC(O)(C[NH3+])CC2)C1 ZINC000335626569 384403193 /nfs/dbraw/zinc/40/31/93/384403193.db2.gz UKZAWRKUSRPLSP-CHWSQXEVSA-N 2 0 240.391 1.598 20 0 BDADRP CC[NH+]1CCC(N[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000335644703 384418580 /nfs/dbraw/zinc/41/85/80/384418580.db2.gz YEZGSJPSONAFOY-DGCLKSJQSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@H]1OCC[C@@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000335605269 384375413 /nfs/dbraw/zinc/37/54/13/384375413.db2.gz NRVFOPQULWCCLW-XVSSEFHLSA-N 2 0 226.364 1.626 20 0 BDADRP CC(C)[C@@H]1C[C@@H]([NH2+]C2CC([NH+](C)C)C2)CCO1 ZINC000521369956 384425179 /nfs/dbraw/zinc/42/51/79/384425179.db2.gz JEVKKWYLERXGEI-ABXWRUBCSA-N 2 0 240.391 1.872 20 0 BDADRP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000449429364 384387238 /nfs/dbraw/zinc/38/72/38/384387238.db2.gz TWCZWGMNALEINH-OPDFLTKYSA-N 2 0 238.375 1.220 20 0 BDADRP CC[N@H+](C[C@@H]1CCOC1)C[C@]1(C)CC[NH2+]C1 ZINC000647513885 384428066 /nfs/dbraw/zinc/42/80/66/384428066.db2.gz NFWMBXGGVCMTOG-QWHCGFSZSA-N 2 0 226.364 1.344 20 0 BDADRP Cc1c[nH+]ccc1N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000229094558 384431801 /nfs/dbraw/zinc/43/18/01/384431801.db2.gz WBLKBINMYCWUIK-JQWIXIFHSA-N 2 0 219.332 1.811 20 0 BDADRP CN(Cc1ccccn1)[C@@H](C[NH3+])C1CC1 ZINC000036884036 384462774 /nfs/dbraw/zinc/46/27/74/384462774.db2.gz BPIZDMRUBMBZFH-LBPRGKRZSA-N 2 0 205.305 1.251 20 0 BDADRP C([NH2+][C@@H]1CC[NH2+]C1)C1CCSCC1 ZINC000229216564 384463103 /nfs/dbraw/zinc/46/31/03/384463103.db2.gz RBPYPLLJMMNDIF-SNVBAGLBSA-N 2 0 200.351 1.081 20 0 BDADRP C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000647229351 384518296 /nfs/dbraw/zinc/51/82/96/384518296.db2.gz CWRSFROFYYEJSC-FZMZJTMJSA-N 2 0 234.343 1.219 20 0 BDADRP CC(C)[NH+](CCNC(=O)C1([NH3+])CCC1)C(C)C ZINC000147437394 384524894 /nfs/dbraw/zinc/52/48/94/384524894.db2.gz LWMSMGAIGBDGJA-UHFFFAOYSA-N 2 0 241.379 1.103 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@@H]1CN(CC)C[C@@H]1C ZINC000309701156 384546240 /nfs/dbraw/zinc/54/62/40/384546240.db2.gz MPVIBIDCYIWKDV-RWMBFGLXSA-N 2 0 228.380 1.467 20 0 BDADRP Cc1cc(N2CCC[C@H]([C@H](C)[NH3+])C2)cc[nH+]1 ZINC000229518014 384549668 /nfs/dbraw/zinc/54/96/68/384549668.db2.gz KDIQFKPAYFPIIX-RYUDHWBXSA-N 2 0 219.332 1.954 20 0 BDADRP COCCCCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428030581 384551958 /nfs/dbraw/zinc/55/19/58/384551958.db2.gz IOEFXVGIPXTFHG-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP COCC[N@H+](CC[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000643057535 384563287 /nfs/dbraw/zinc/56/32/87/384563287.db2.gz OOLBDFIYRWBOJP-ZDUSSCGKSA-N 2 0 240.391 1.877 20 0 BDADRP Cc1cccc(CC[NH2+][C@H](C)CCC[NH3+])n1 ZINC000423083171 384564486 /nfs/dbraw/zinc/56/44/86/384564486.db2.gz FKSTVUCRLLLNNJ-LLVKDONJSA-N 2 0 221.348 1.650 20 0 BDADRP Cc1cccc(CC[NH2+][C@H]2CCC[C@H]2C[NH3+])n1 ZINC000423086248 384565923 /nfs/dbraw/zinc/56/59/23/384565923.db2.gz MRDATPYGRWYDGZ-JSGCOSHPSA-N 2 0 233.359 1.650 20 0 BDADRP Cc1cccc(CC[NH2+][C@H]2CCC[C@H]2[NH3+])n1 ZINC000423086981 384565975 /nfs/dbraw/zinc/56/59/75/384565975.db2.gz OKMFHSXJCQGPCA-OLZOCXBDSA-N 2 0 219.332 1.402 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCOC[C@@H]1C ZINC000300853950 384609432 /nfs/dbraw/zinc/60/94/32/384609432.db2.gz MGHREHGTMCQQNG-TUAOUCFPSA-N 2 0 214.353 1.341 20 0 BDADRP CC[NH+]1CCC(CC[NH2+][C@H]2CO[C@@H](C)C2)CC1 ZINC000647187030 384632801 /nfs/dbraw/zinc/63/28/01/384632801.db2.gz BIYNUPIYLFYSEI-GXTWGEPZSA-N 2 0 240.391 1.875 20 0 BDADRP CCC[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000037859742 384620396 /nfs/dbraw/zinc/62/03/96/384620396.db2.gz RCTOVUQUSIHELN-NWDGAFQWSA-N 2 0 214.353 1.221 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1CC(O)C1 ZINC000084446294 384622138 /nfs/dbraw/zinc/62/21/38/384622138.db2.gz ABPQBBIGZHMTTR-QUANKSPYSA-N 2 0 226.364 1.076 20 0 BDADRP CCC[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])OC ZINC000356330615 384625422 /nfs/dbraw/zinc/62/54/22/384625422.db2.gz HFNBAKSHSHIHFA-JHJVBQTASA-N 2 0 228.380 1.909 20 0 BDADRP C[NH+](C)CCC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403320176 384627436 /nfs/dbraw/zinc/62/74/36/384627436.db2.gz AODSBGFHXDMBCX-UPJWGTAASA-N 2 0 210.365 1.964 20 0 BDADRP COCCC[NH+]1CCC([NH2+]CC2(C)CC2)CC1 ZINC000518040770 384629203 /nfs/dbraw/zinc/62/92/03/384629203.db2.gz WLDORRITMZNJLC-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000309781191 384599632 /nfs/dbraw/zinc/59/96/32/384599632.db2.gz RFNCPBLWJUUSSS-JHJVBQTASA-N 2 0 228.380 1.731 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000356705403 384652128 /nfs/dbraw/zinc/65/21/28/384652128.db2.gz WKWLVSPXICMERW-FRRDWIJNSA-N 2 0 244.379 1.288 20 0 BDADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCCCO)C1 ZINC000304328261 384689031 /nfs/dbraw/zinc/68/90/31/384689031.db2.gz UCTLGRFNSIFTNH-ZDUSSCGKSA-N 2 0 228.380 1.423 20 0 BDADRP c1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)n[nH]1 ZINC000647542732 384704719 /nfs/dbraw/zinc/70/47/19/384704719.db2.gz AXWMETNRWZLWHF-STQMWFEESA-N 2 0 248.374 1.621 20 0 BDADRP CCCCOC1CC[NH+](CCOCC[NH3+])CC1 ZINC000357072479 384776375 /nfs/dbraw/zinc/77/63/75/384776375.db2.gz KVICKUWBKVRQHR-UHFFFAOYSA-N 2 0 244.379 1.243 20 0 BDADRP C[C@H]1C[NH2+]C[C@H](NCC2([NH3+])CCCCC2)C1 ZINC000647546545 384729482 /nfs/dbraw/zinc/72/94/82/384729482.db2.gz ORIZXKOBGIOGMC-VXGBXAGGSA-N 2 0 225.380 1.236 20 0 BDADRP CCCC[C@H](CN)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647546749 384732551 /nfs/dbraw/zinc/73/25/51/384732551.db2.gz ZZVTWTYCLPRHCY-REWJHTLYSA-N 2 0 239.407 1.482 20 0 BDADRP CC1(C[NH2+]Cc2cnc(N)s2)CC[NH2+]CC1 ZINC000647547117 384737015 /nfs/dbraw/zinc/73/70/15/384737015.db2.gz OHNAWLAHGFKUDS-UHFFFAOYSA-N 2 0 240.376 1.035 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]([NH3+])C(C)C)C1(C)C ZINC000300387176 384742070 /nfs/dbraw/zinc/74/20/70/384742070.db2.gz MIILQXHYHDTKML-SDDRHHMPSA-N 2 0 228.380 1.763 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CN[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000647549878 384746378 /nfs/dbraw/zinc/74/63/78/384746378.db2.gz WKCWKXKITFJVCU-MELADBBJSA-N 2 0 239.407 1.448 20 0 BDADRP C(N[C@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000647547985 384750380 /nfs/dbraw/zinc/75/03/80/384750380.db2.gz QFSJTMDDAPFTEU-OLZOCXBDSA-N 2 0 237.391 1.250 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647552374 384757615 /nfs/dbraw/zinc/75/76/15/384757615.db2.gz YBBGKVHEDLLMIL-ODXJTPSBSA-N 3 0 237.391 1.234 20 0 BDADRP C[C@H]1CNC[C@H]([NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC000647552119 384758090 /nfs/dbraw/zinc/75/80/90/384758090.db2.gz GRFMCPRHQLEITN-NELGMTEASA-N 2 0 239.407 1.447 20 0 BDADRP CCc1ncc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])s1 ZINC000647552538 384761939 /nfs/dbraw/zinc/76/19/39/384761939.db2.gz FTMLEWWIAKDSKN-RKDXNWHRSA-N 2 0 227.377 1.921 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@H](C)COC ZINC000053172271 384767325 /nfs/dbraw/zinc/76/73/25/384767325.db2.gz UFHIWULLSXGVSP-NSHDSACASA-N 2 0 202.342 1.343 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC000309986452 384768794 /nfs/dbraw/zinc/76/87/94/384768794.db2.gz YMQWNUGIIBWUOT-RWMBFGLXSA-N 2 0 228.380 1.730 20 0 BDADRP C(C[C@@H]1CCOC1)[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000647553583 384769556 /nfs/dbraw/zinc/76/95/56/384769556.db2.gz DHZILZVEUXDHKZ-CHWSQXEVSA-N 2 0 238.375 1.677 20 0 BDADRP CC[C@H]([NH2+]C[C@H](C)C[NH+](C)C)[C@@H]1CCOC1 ZINC000309778349 384823703 /nfs/dbraw/zinc/82/37/03/384823703.db2.gz QKHGHSSIQYJDAH-XQQFMLRXSA-N 2 0 228.380 1.589 20 0 BDADRP C[C@@H](C[NH3+])C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000054343559 384831860 /nfs/dbraw/zinc/83/18/60/384831860.db2.gz PBWRUOYZBIZNOU-WCQYABFASA-N 2 0 249.358 1.000 20 0 BDADRP C[C@@H](C[NH3+])C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000054343699 384832613 /nfs/dbraw/zinc/83/26/13/384832613.db2.gz PTJJULDGNNUNKS-AAEUAGOBSA-N 2 0 249.358 1.000 20 0 BDADRP C[NH2+]CCN[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000423247026 384781793 /nfs/dbraw/zinc/78/17/93/384781793.db2.gz OPVCMQYTZPNKEW-CABCVRRESA-N 2 0 247.386 1.631 20 0 BDADRP C[NH2+]CCN[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000423247029 384784539 /nfs/dbraw/zinc/78/45/39/384784539.db2.gz OPVCMQYTZPNKEW-LSDHHAIUSA-N 2 0 247.386 1.631 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C2CCC(C[NH+](C)C)CC2)CO1 ZINC000647196385 384789225 /nfs/dbraw/zinc/78/92/25/384789225.db2.gz ZOTXBLPNEUOSEC-BLYZHGLHSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@]1(C)CCCS1 ZINC000308553858 384803959 /nfs/dbraw/zinc/80/39/59/384803959.db2.gz UFWMODVSNJBEHG-MNOVXSKESA-N 2 0 216.394 1.989 20 0 BDADRP C[N@H+](C[C@@H]1CCCO1)C[C@H]1CCC[NH2+]C1 ZINC000042466485 384813729 /nfs/dbraw/zinc/81/37/29/384813729.db2.gz VSSMFRZEVFEYCB-RYUDHWBXSA-N 2 0 212.337 1.097 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C2CCSCC2)C1 ZINC000220682656 384890210 /nfs/dbraw/zinc/89/02/10/384890210.db2.gz JARMPRHJBYAWJR-KOLCDFICSA-N 2 0 214.378 1.742 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCOC(F)(F)F ZINC000398207576 384841480 /nfs/dbraw/zinc/84/14/80/384841480.db2.gz CDTAZJGFMMXDAR-BDAKNGLRSA-N 2 0 240.269 1.630 20 0 BDADRP CC[N@H+](C)CCNC1CC[NH+](C2CC2)CC1 ZINC000309282710 384889244 /nfs/dbraw/zinc/88/92/44/384889244.db2.gz UFCFETQLUQHGIC-UHFFFAOYSA-N 2 0 225.380 1.155 20 0 BDADRP C([C@H]1CCCOC1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310546217 384866329 /nfs/dbraw/zinc/86/63/29/384866329.db2.gz DSNHWUQGURBLCN-MCIONIFRSA-N 2 0 238.375 1.344 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCc1ccccc1F ZINC000258953132 384954770 /nfs/dbraw/zinc/95/47/70/384954770.db2.gz KNYLTUWTFGWWIL-QWHCGFSZSA-N 2 0 222.307 1.838 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc2c1NCC2 ZINC000566230028 384957815 /nfs/dbraw/zinc/95/78/15/384957815.db2.gz AAYVNGZHROHGDM-QWRGUYRKSA-N 2 0 233.359 1.870 20 0 BDADRP CC[NH+](CC)CCCNCC(C)(C)[NH3+] ZINC000308652549 384892123 /nfs/dbraw/zinc/89/21/23/384892123.db2.gz LFSOHUOFVSOARP-UHFFFAOYSA-N 2 0 201.358 1.045 20 0 BDADRP C(CN1CC[C@H]2[NH2+]CC[C@@H]2C1)C1CC[NH2+]CC1 ZINC000336266209 384903913 /nfs/dbraw/zinc/90/39/13/384903913.db2.gz ICVFAHLXLMMSMJ-ZIAGYGMSSA-N 2 0 237.391 1.060 20 0 BDADRP CCC(CC)[C@@H](O)C[NH2+]CC(C)(C)[NH3+] ZINC000308693040 384919468 /nfs/dbraw/zinc/91/94/68/384919468.db2.gz SAIMHEJMKRURFN-JTQLQIEISA-N 2 0 202.342 1.110 20 0 BDADRP CC(C)CN(CC[NH+](C)C)C(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000156663269 384919986 /nfs/dbraw/zinc/91/99/86/384919986.db2.gz QGRXGHKHYFEEMV-VXGBXAGGSA-N 2 0 243.395 1.016 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1=CC[NH+](C)CC1 ZINC000336145831 384922693 /nfs/dbraw/zinc/92/26/93/384922693.db2.gz NKWMORNLNRXPAB-JSGCOSHPSA-N 3 0 237.391 1.178 20 0 BDADRP C[C@H]([NH3+])CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000257741038 384922905 /nfs/dbraw/zinc/92/29/05/384922905.db2.gz BKQMNWVSBQXHHU-STQMWFEESA-N 2 0 225.380 1.141 20 0 BDADRP C[C@@H]([NH3+])CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000257742233 384924537 /nfs/dbraw/zinc/92/45/37/384924537.db2.gz CCFKBYVPZMWFJW-CHWSQXEVSA-N 2 0 225.380 1.284 20 0 BDADRP CC[C@@H](O)C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000644519536 384932974 /nfs/dbraw/zinc/93/29/74/384932974.db2.gz ZDBQBWMBKBVGSR-CQSZACIVSA-N 2 0 236.359 1.609 20 0 BDADRP CCOc1ccc(C[NH2+]C[C@@H](C)C[NH3+])cc1 ZINC000258799963 384935538 /nfs/dbraw/zinc/93/55/38/384935538.db2.gz REHJBYMXMSRQDM-NSHDSACASA-N 2 0 222.332 1.770 20 0 BDADRP Cc1cnccc1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC000107357338 384965756 /nfs/dbraw/zinc/96/57/56/384965756.db2.gz LZZARPPDUJPSQL-LBPRGKRZSA-N 2 0 235.331 1.915 20 0 BDADRP COCC[N@H+](C)CCC[NH2+]C1CC2(CCC2)C1 ZINC000448068954 384978267 /nfs/dbraw/zinc/97/82/67/384978267.db2.gz YOVPXKQKZDEERE-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP Cc1nc(CC[NH2+][C@H]2CCC[C@@H]2C[NH3+])cs1 ZINC000226324252 384980099 /nfs/dbraw/zinc/98/00/99/384980099.db2.gz GSEMUAPLLRXNKS-PWSUYJOCSA-N 2 0 239.388 1.711 20 0 BDADRP CC[N@@H+]1CC[C@@H](CNCc2ccns2)C1 ZINC000404421370 384991746 /nfs/dbraw/zinc/99/17/46/384991746.db2.gz CVKJZQWUAYCZKP-JTQLQIEISA-N 2 0 225.361 1.575 20 0 BDADRP Cn1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000128100393 384992405 /nfs/dbraw/zinc/99/24/05/384992405.db2.gz AWBOTEDFUAKKNQ-ZIAGYGMSSA-N 2 0 233.359 1.742 20 0 BDADRP CC[C@@H](C)N(C)CC[NH2+][C@@H](C)CCCC[NH3+] ZINC000336681280 385000558 /nfs/dbraw/zinc/00/05/58/385000558.db2.gz YBFXXNCMRKOWLV-QWHCGFSZSA-N 2 0 229.412 1.824 20 0 BDADRP c1cc(C[NH2+]CCCC[NH+]2CCOCC2)c[nH]1 ZINC000086251057 385001176 /nfs/dbraw/zinc/00/11/76/385001176.db2.gz WWMFZMHSBFNBFJ-UHFFFAOYSA-N 2 0 237.347 1.217 20 0 BDADRP C[C@@H](O)C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000644618146 385007510 /nfs/dbraw/zinc/00/75/10/385007510.db2.gz HKIXLTHPCNJJAY-GFCCVEGCSA-N 2 0 249.358 1.268 20 0 BDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]([NH3+])CC(C)C ZINC000226396218 385008958 /nfs/dbraw/zinc/00/89/58/385008958.db2.gz YKIDYQWIDLQTBN-NEPJUHHUSA-N 2 0 243.395 1.206 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226403986 385012698 /nfs/dbraw/zinc/01/26/98/385012698.db2.gz LJEVZWOJDREIBG-LOWVWBTDSA-N 2 0 241.379 1.103 20 0 BDADRP C[NH+](C)CCCC[NH2+]Cc1ccns1 ZINC000404468321 385013809 /nfs/dbraw/zinc/01/38/09/385013809.db2.gz VNKGANWCLCFNAG-UHFFFAOYSA-N 2 0 213.350 1.575 20 0 BDADRP C[C@H](O)C1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000226437503 385019934 /nfs/dbraw/zinc/01/99/34/385019934.db2.gz FFDBCCRFMOCKGP-NWDGAFQWSA-N 2 0 226.364 1.079 20 0 BDADRP Cn1cncc1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000336323365 385055423 /nfs/dbraw/zinc/05/54/23/385055423.db2.gz LVCSUPKPHVSVCF-WCQYABFASA-N 2 0 235.331 1.421 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CC1(N(C)C)CCCC1 ZINC000310444145 385061877 /nfs/dbraw/zinc/06/18/77/385061877.db2.gz WLNPHHOLOTVHAJ-CYBMUJFWSA-N 2 0 241.423 1.968 20 0 BDADRP CC[C@@H](O)C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000644663737 385076839 /nfs/dbraw/zinc/07/68/39/385076839.db2.gz BEGDCHBEMZMLMO-CYBMUJFWSA-N 2 0 226.364 1.364 20 0 BDADRP [NH3+]C1(Cc2nc(C3([NH3+])CCCC3)no2)CCC1 ZINC000647135197 385076838 /nfs/dbraw/zinc/07/68/38/385076838.db2.gz FNSVCVLRJDYNDT-UHFFFAOYSA-N 2 0 236.319 1.222 20 0 BDADRP Cc1noc(C)c1CN[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000404806782 385076834 /nfs/dbraw/zinc/07/68/34/385076834.db2.gz ZGMGBZZBEKUMDN-MNOVXSKESA-N 2 0 223.320 1.507 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)CO1 ZINC000647206351 385026091 /nfs/dbraw/zinc/02/60/91/385026091.db2.gz PSRFCCHJSYWWHR-STQMWFEESA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H](CC[NH2+]C[C@H](C)O)[NH+]1CCCCC1 ZINC000644621039 385028400 /nfs/dbraw/zinc/02/84/00/385028400.db2.gz OBDAPDYKWACTCN-NEPJUHHUSA-N 2 0 214.353 1.221 20 0 BDADRP CCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000246165361 385117268 /nfs/dbraw/zinc/11/72/68/385117268.db2.gz ARWLCBATKZTKMI-UTUOFQBUSA-N 2 0 241.379 1.103 20 0 BDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NCCC[NH+]1CCCCC1 ZINC000404876719 385121336 /nfs/dbraw/zinc/12/13/36/385121336.db2.gz XCNACDNPTNBOEW-STQMWFEESA-N 2 0 239.407 1.578 20 0 BDADRP CC1([NH3+])CCN(C(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000646993920 385124061 /nfs/dbraw/zinc/12/40/61/385124061.db2.gz OJIFEBOSEQBPTE-GFCCVEGCSA-N 2 0 247.342 1.026 20 0 BDADRP CC[C@@H](COC)[NH2+][C@@H](C)CCCC[NH3+] ZINC000336692949 385099770 /nfs/dbraw/zinc/09/97/70/385099770.db2.gz QPCMIZCCUANCBI-QWRGUYRKSA-N 2 0 202.342 1.519 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCCN2CC[NH+](C)CC2)[C@H]1C ZINC000310516912 385102313 /nfs/dbraw/zinc/10/23/13/385102313.db2.gz MOZSUCVUMXMFJB-RDBSUJKOSA-N 2 0 239.407 1.258 20 0 BDADRP C([NH2+][C@@H]1CCCOCC1)[C@H]1CCC[NH2+]C1 ZINC000308811447 385182326 /nfs/dbraw/zinc/18/23/26/385182326.db2.gz COJDFTFJWPJSJH-NWDGAFQWSA-N 2 0 212.337 1.145 20 0 BDADRP C[C@H](CCCC[NH3+])NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000647051330 385186357 /nfs/dbraw/zinc/18/63/57/385186357.db2.gz PITLXUABAIVWHW-VXGBXAGGSA-N 2 0 241.379 1.104 20 0 BDADRP C[NH+](C)[C@@H]1CCCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000227661511 385188731 /nfs/dbraw/zinc/18/87/31/385188731.db2.gz GFTHQIMNZMHLFQ-OLZOCXBDSA-N 2 0 225.380 1.012 20 0 BDADRP CC(C)[N@H+](C)CC(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000178188610 385198134 /nfs/dbraw/zinc/19/81/34/385198134.db2.gz MOCLOGRJADEXRD-LLVKDONJSA-N 2 0 249.358 1.985 20 0 BDADRP CC(C)([NH3+])CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647479561 385154579 /nfs/dbraw/zinc/15/45/79/385154579.db2.gz LLVFPWRHRQAMBJ-RYUDHWBXSA-N 2 0 225.380 1.188 20 0 BDADRP [NH3+]CC1(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)CC1 ZINC000647479753 385157993 /nfs/dbraw/zinc/15/79/93/385157993.db2.gz SPMVXSDKOGYGFA-CHWSQXEVSA-N 2 0 237.391 1.189 20 0 BDADRP CCC(CC)[C@@H](O)C[NH2+][C@@H](C)CCC[NH3+] ZINC000308801633 385173356 /nfs/dbraw/zinc/17/33/56/385173356.db2.gz DVYNUJLIRNIBFM-JQWIXIFHSA-N 2 0 216.369 1.501 20 0 BDADRP C([C@H]1CCC[NH2+]C1)N(C1CC1)C1CC[NH2+]CC1 ZINC000647482706 385210752 /nfs/dbraw/zinc/21/07/52/385210752.db2.gz ZLAGDXZLEOIZDP-LBPRGKRZSA-N 2 0 237.391 1.202 20 0 BDADRP C[NH2+]C[C@@H]1CCCN(Cc2cc(C)n(C)n2)C1 ZINC000647484991 385235012 /nfs/dbraw/zinc/23/50/12/385235012.db2.gz WDNCWKDVGFCNDP-LBPRGKRZSA-N 2 0 236.363 1.160 20 0 BDADRP CCCCOCC[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000045107871 385246789 /nfs/dbraw/zinc/24/67/89/385246789.db2.gz JDFQWRCPTCOMSZ-VXGBXAGGSA-N 2 0 214.353 1.472 20 0 BDADRP CCc1ccc(CC[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000422758992 385250147 /nfs/dbraw/zinc/25/01/47/385250147.db2.gz OQFYCFRHKMWQBR-LBPRGKRZSA-N 2 0 232.371 1.989 20 0 BDADRP Cc1c[nH+]ccc1NC[C@H](C)C[NH+](C)C ZINC000308899366 385253078 /nfs/dbraw/zinc/25/30/78/385253078.db2.gz JREWGWMVPQJKGS-JTQLQIEISA-N 2 0 207.321 2.000 20 0 BDADRP COC[C@@H](C)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482555 385205362 /nfs/dbraw/zinc/20/53/62/385205362.db2.gz PCXBGTYFUSXCHP-NSHDSACASA-N 2 0 226.364 1.485 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCC2(C1)CCOCC2 ZINC000308956959 385320239 /nfs/dbraw/zinc/32/02/39/385320239.db2.gz YYEKLMYGXZJSLN-UHFFFAOYSA-N 2 0 212.337 1.098 20 0 BDADRP O[C@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000299892171 385271682 /nfs/dbraw/zinc/27/16/82/385271682.db2.gz PTIUQMLIXIWWRY-CYDGBPFRSA-N 2 0 224.348 1.116 20 0 BDADRP COC[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)C1CC1 ZINC000308902989 385273406 /nfs/dbraw/zinc/27/34/06/385273406.db2.gz KQPVYRUOAKCURK-CMPLNLGQSA-N 2 0 214.353 1.199 20 0 BDADRP CC[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)OC ZINC000308928407 385289288 /nfs/dbraw/zinc/28/92/88/385289288.db2.gz QQQVWVAZKKFFOE-SDDRHHMPSA-N 2 0 214.353 1.484 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]Cc2cccc(CO)c2)CC[N@@H+]1C ZINC000177838714 385292741 /nfs/dbraw/zinc/29/27/41/385292741.db2.gz XBLBJAKMWWHMAG-IUODEOHRSA-N 2 0 248.370 1.751 20 0 BDADRP Cc1ccc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)nc1 ZINC000228150731 385349128 /nfs/dbraw/zinc/34/91/28/385349128.db2.gz BBFMODDXZNQUIC-RYUDHWBXSA-N 2 0 219.332 1.559 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CC1(CO)CCCC1 ZINC000309023575 385366420 /nfs/dbraw/zinc/36/64/20/385366420.db2.gz WMMAZEQRWBMNQO-LLVKDONJSA-N 2 0 214.353 1.256 20 0 BDADRP CO[C@H](C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000400168276 385327415 /nfs/dbraw/zinc/32/74/15/385327415.db2.gz MCXUCKVLLWXSAE-SMDDNHRTSA-N 2 0 238.375 1.485 20 0 BDADRP CC[C@@H]1CN(C[C@H]([NH3+])CC(C)C)CC[C@H]1[NH3+] ZINC000647497440 385410631 /nfs/dbraw/zinc/41/06/31/385410631.db2.gz HWVQLNOSIRCVIS-JHJVBQTASA-N 2 0 227.396 1.419 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2=CC[N@H+](C)CC2)[C@@H]1C ZINC000309093031 385413664 /nfs/dbraw/zinc/41/36/64/385413664.db2.gz BWFGOBDUUKZOTJ-WZRBSPASSA-N 2 0 208.349 1.882 20 0 BDADRP CN(CCC[NH3+])C(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000644067436 385416415 /nfs/dbraw/zinc/41/64/15/385416415.db2.gz VENUPCPSAQKNBW-RYUDHWBXSA-N 2 0 241.379 1.091 20 0 BDADRP CC[C@H]1CN(Cc2ccc(N)nc2)CC[C@@H]1[NH3+] ZINC000647498958 385423292 /nfs/dbraw/zinc/42/32/92/385423292.db2.gz UXDGBYKHROMTRH-RYUDHWBXSA-N 2 0 234.347 1.053 20 0 BDADRP Fc1ccc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000364441897 385444962 /nfs/dbraw/zinc/44/49/62/385444962.db2.gz GOQKCHLADPWMIB-STQMWFEESA-N 2 0 249.333 1.937 20 0 BDADRP C[C@@H](O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000194949870 385452791 /nfs/dbraw/zinc/45/27/91/385452791.db2.gz ZXHAAIIRPDQVSL-LLVKDONJSA-N 2 0 214.353 1.031 20 0 BDADRP C[C@@H](C(N)=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000336119469 385453821 /nfs/dbraw/zinc/45/38/21/385453821.db2.gz SXTNPQKFLOWAOV-VHSXEESVSA-N 2 0 213.325 1.326 20 0 BDADRP C=Cn1cc(C[NH2+]C[C@@H]2CCCN2C)cn1 ZINC000194261822 385427490 /nfs/dbraw/zinc/42/74/90/385427490.db2.gz MLRBLSYUBLKVRN-LBPRGKRZSA-N 2 0 220.320 1.167 20 0 BDADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](C)OC)C1 ZINC000182210962 385434709 /nfs/dbraw/zinc/43/47/09/385434709.db2.gz YVCLAIWCYXRMDC-CHWSQXEVSA-N 2 0 228.380 1.685 20 0 BDADRP C[NH+](C)CCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000364493646 385471527 /nfs/dbraw/zinc/47/15/27/385471527.db2.gz QYEDONAEOUNJPX-YNEHKIRRSA-N 2 0 238.375 1.485 20 0 BDADRP COCCCC[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000405336714 385501961 /nfs/dbraw/zinc/50/19/61/385501961.db2.gz ZUAIBRUTYLGHGB-NXEZZACHSA-N 2 0 200.326 1.128 20 0 BDADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cn[nH]c1 ZINC000302346057 385517089 /nfs/dbraw/zinc/51/70/89/385517089.db2.gz IFIFSQHFWFYQOH-NSHDSACASA-N 2 0 236.363 1.792 20 0 BDADRP CC[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)OC ZINC000309333884 385536034 /nfs/dbraw/zinc/53/60/34/385536034.db2.gz JSBCADISTXRFTC-WUHRBBMRSA-N 2 0 228.380 1.730 20 0 BDADRP C[N@H+](C[C@@H]1CCn2ccnc2C1)C1CCC1 ZINC000367705412 385538085 /nfs/dbraw/zinc/53/80/85/385538085.db2.gz MNLPIEBLHFCUGF-LLVKDONJSA-N 2 0 219.332 1.930 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)[C@@H]1C ZINC000309358991 385552580 /nfs/dbraw/zinc/55/25/80/385552580.db2.gz AEDLDXPHMFLCEJ-LPWJVIDDSA-N 2 0 226.364 1.077 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000309425245 385577866 /nfs/dbraw/zinc/57/78/66/385577866.db2.gz XATZEJYOWFJXLL-WXHSDQCUSA-N 2 0 226.364 1.661 20 0 BDADRP COCC[C@H](C)[NH2+]C[C@H](CC(C)C)N(C)C ZINC000045018810 385597394 /nfs/dbraw/zinc/59/73/94/385597394.db2.gz PHRXMFJPWMJIDB-STQMWFEESA-N 2 0 230.396 1.977 20 0 BDADRP Cn1c(C[NH2+]CCCC[NH3+])nc2ccccc21 ZINC000107796367 385588350 /nfs/dbraw/zinc/58/83/50/385588350.db2.gz HYRQURUXMVISRH-UHFFFAOYSA-N 2 0 232.331 1.402 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]CC2(C)COC2)C1 ZINC000336678671 385617351 /nfs/dbraw/zinc/61/73/51/385617351.db2.gz BYQDXTXHYWMFDI-VXGBXAGGSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)CCC[NH3+] ZINC000336680183 385628420 /nfs/dbraw/zinc/62/84/20/385628420.db2.gz GJKPQUHDWUSXSH-WDEREUQCSA-N 3 0 201.358 1.044 20 0 BDADRP CSC1(C[NH2+][C@@H](C)CCCC[NH3+])CC1 ZINC000336681704 385634816 /nfs/dbraw/zinc/63/48/16/385634816.db2.gz HKEIKUZLTMHQAD-JTQLQIEISA-N 2 0 216.394 1.989 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)[C@@H]1C ZINC000309509192 385644346 /nfs/dbraw/zinc/64/43/46/385644346.db2.gz WTUGMAIZUCCEPY-UTUOFQBUSA-N 2 0 226.364 1.077 20 0 BDADRP c1ccc([C@@H]2C[C@H]2C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000643366998 385654783 /nfs/dbraw/zinc/65/47/83/385654783.db2.gz SNWZRFUMKOMUEL-VGWMRTNUSA-N 2 0 242.366 1.941 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CCCSC1 ZINC000308185191 385705937 /nfs/dbraw/zinc/70/59/37/385705937.db2.gz FLAVOTASYVGQDS-UWVGGRQHSA-N 2 0 202.367 1.599 20 0 BDADRP C[NH2+]CCCNCc1cn(C(C)C)nc1C ZINC000414856419 385712728 /nfs/dbraw/zinc/71/27/28/385712728.db2.gz ABMFFFMUXPJHIT-UHFFFAOYSA-N 2 0 224.352 1.472 20 0 BDADRP [NH3+]C1(C[NH2+]CC2CC[NH2+]CC2)CCCCCC1 ZINC000414856493 385713935 /nfs/dbraw/zinc/71/39/35/385713935.db2.gz AMVQFCRRMUKTPA-UHFFFAOYSA-N 3 0 239.407 1.627 20 0 BDADRP C[NH2+]CCCN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000414858002 385730793 /nfs/dbraw/zinc/73/07/93/385730793.db2.gz HDFYCOFSBINTSQ-OLZOCXBDSA-N 2 0 227.396 1.496 20 0 BDADRP CC(C)[C@@H]1CCC[N@@H+]1C[C@H](O)CN(C)C1CC1 ZINC000336692306 385734048 /nfs/dbraw/zinc/73/40/48/385734048.db2.gz HTLSNIJTGRWRGB-KGLIPLIRSA-N 2 0 240.391 1.562 20 0 BDADRP CC[N@@H+]1CC[C@H](NC[C@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000414859672 385736695 /nfs/dbraw/zinc/73/66/95/385736695.db2.gz URUPQHDWLJUKDD-IHRRRGAJSA-N 2 0 239.407 1.306 20 0 BDADRP C[NH2+]Cc1cccc(NCC2(C[NH3+])CC2)c1 ZINC000414859978 385738802 /nfs/dbraw/zinc/73/88/02/385738802.db2.gz CCHPARTZTOOYPL-UHFFFAOYSA-N 2 0 219.332 1.557 20 0 BDADRP C[NH2+]Cc1cccc(NC2CC[NH2+]CC2)c1 ZINC000414859139 385741765 /nfs/dbraw/zinc/74/17/65/385741765.db2.gz AOARHPXCNLAAAB-UHFFFAOYSA-N 2 0 219.332 1.570 20 0 BDADRP C/C=C\C[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647795704 385746474 /nfs/dbraw/zinc/74/64/74/385746474.db2.gz UGQDCFJGDIWZRB-NNMSFSFGSA-N 2 0 238.375 1.291 20 0 BDADRP c1cn(CC[N@@H+]2CCO[C@@H]3CCC[C@@H]32)cn1 ZINC000270844498 385750524 /nfs/dbraw/zinc/75/05/24/385750524.db2.gz OGSPDEFYIWYDPO-NWDGAFQWSA-N 2 0 221.304 1.136 20 0 BDADRP CC[C@@H](COC)[NH2+]C[C@H](C)C[NH+](C)C ZINC000336699652 385757456 /nfs/dbraw/zinc/75/74/56/385757456.db2.gz WUAALTMPLMDUKC-QWRGUYRKSA-N 2 0 202.342 1.199 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCC[C@H](C)CO ZINC000336700205 385760153 /nfs/dbraw/zinc/76/01/53/385760153.db2.gz PGAWWQSTSBNQSU-NWDGAFQWSA-N 2 0 216.369 1.502 20 0 BDADRP CCC[C@@H](O)C[NH2+][C@H](C)CCCC[NH3+] ZINC000336701440 385766344 /nfs/dbraw/zinc/76/63/44/385766344.db2.gz XUMUIAHGRUTDRN-GHMZBOCLSA-N 2 0 202.342 1.255 20 0 BDADRP Cc1nccn1CC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000161856432 385781485 /nfs/dbraw/zinc/78/14/85/385781485.db2.gz TXLZBHXLTYGYMI-ZDUSSCGKSA-N 2 0 236.363 1.075 20 0 BDADRP CCn1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000647799876 385799942 /nfs/dbraw/zinc/79/99/42/385799942.db2.gz RYYWORHIAUISTB-RWMBFGLXSA-N 2 0 248.374 1.381 20 0 BDADRP C[C@@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])CC(F)F ZINC000647801587 385811710 /nfs/dbraw/zinc/81/17/10/385811710.db2.gz YRNQFLREZYXPHN-VGMNWLOBSA-N 2 0 208.296 1.993 20 0 BDADRP CC[C@H](COC)[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414949897 385814810 /nfs/dbraw/zinc/81/48/10/385814810.db2.gz NYUMJTYXCPLBNK-HBNTYKKESA-N 2 0 200.326 1.142 20 0 BDADRP CC[NH2+][C@H](C)CNC1CC[NH+](C(C)C)CC1 ZINC000414952689 385825716 /nfs/dbraw/zinc/82/57/16/385825716.db2.gz IPQHIAZYDYLTMJ-GFCCVEGCSA-N 2 0 227.396 1.447 20 0 BDADRP C[N@H+](C[C@H](O)C[NH3+])CC1CCC(C)(C)CC1 ZINC000336738093 385828243 /nfs/dbraw/zinc/82/82/43/385828243.db2.gz JZEKECZWBLVJHG-GFCCVEGCSA-N 2 0 228.380 1.454 20 0 BDADRP CCC1(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)CCOCC1 ZINC000414954093 385834803 /nfs/dbraw/zinc/83/48/03/385834803.db2.gz SFDOTRAKNBOMHH-CHWSQXEVSA-N 2 0 240.391 1.923 20 0 BDADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H](C)[NH3+])cc1 ZINC000262458265 385849787 /nfs/dbraw/zinc/84/97/87/385849787.db2.gz UZDHDWCAKOPNSU-GXFFZTMASA-N 2 0 249.358 1.273 20 0 BDADRP CCC(CC)(C[NH3+])NC(=O)CCC(C)(C)[NH3+] ZINC000647806273 385850998 /nfs/dbraw/zinc/85/09/98/385850998.db2.gz DBKVZKHWGVCOON-UHFFFAOYSA-N 2 0 229.368 1.138 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000414871120 385854161 /nfs/dbraw/zinc/85/41/61/385854161.db2.gz CYCIPUDMDSKFBO-LLVKDONJSA-N 2 0 244.342 1.761 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000414871108 385854312 /nfs/dbraw/zinc/85/43/12/385854312.db2.gz CXEVEJXCWVDWFD-ZANVPECISA-N 2 0 238.762 1.992 20 0 BDADRP COCC[C@H](C)[NH+]1CCC(CC[NH3+])CC1 ZINC000069729558 385854741 /nfs/dbraw/zinc/85/47/41/385854741.db2.gz YLJHWWVDXSYVJF-NSHDSACASA-N 2 0 214.353 1.472 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)CN1CCCCC1 ZINC000336707553 385794499 /nfs/dbraw/zinc/79/44/99/385794499.db2.gz LVORLQUNATYFTJ-KGLIPLIRSA-N 2 0 241.423 1.968 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCC(F)(F)F ZINC000123535734 385887038 /nfs/dbraw/zinc/88/70/38/385887038.db2.gz GSMBCXBVANFBCU-HTQZYQBOSA-N 2 0 210.243 1.608 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CSC1(C)C ZINC000393857335 385891952 /nfs/dbraw/zinc/89/19/52/385891952.db2.gz VVPQYIHFFUIACN-BDAKNGLRSA-N 2 0 202.367 1.597 20 0 BDADRP C[C@@H](CC[NH3+])[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000414875635 385896998 /nfs/dbraw/zinc/89/69/98/385896998.db2.gz CFWVGBZDLAOEEM-LBPRGKRZSA-N 2 0 248.374 1.509 20 0 BDADRP CC(C)n1ccc(C[C@H](C)[NH2+]C[C@H](C)C[NH3+])n1 ZINC000414876550 385909650 /nfs/dbraw/zinc/90/96/50/385909650.db2.gz LNUPJGBKGLBTKW-NEPJUHHUSA-N 2 0 238.379 1.579 20 0 BDADRP COCC[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000122353848 385913373 /nfs/dbraw/zinc/91/33/73/385913373.db2.gz GCYQIDRSUDGKFT-GARJFASQSA-N 2 0 200.326 1.081 20 0 BDADRP C([NH2+][C@H]1CCCC12CCOCC2)[C@@H]1CCC[NH2+]1 ZINC000335033083 385920620 /nfs/dbraw/zinc/92/06/20/385920620.db2.gz OMBRXTSFGUODGO-STQMWFEESA-N 2 0 238.375 1.677 20 0 BDADRP Cc1cnccc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000295564982 385923977 /nfs/dbraw/zinc/92/39/77/385923977.db2.gz ZLNJJHPZQBPVCO-UHFFFAOYSA-N 2 0 231.343 1.742 20 0 BDADRP C[NH2+][C@H]1CCN(CCCC2CC[NH2+]CC2)C1 ZINC000647809824 385861853 /nfs/dbraw/zinc/86/18/53/385861853.db2.gz ZJAMMVDJBJRMHC-ZDUSSCGKSA-N 2 0 225.380 1.060 20 0 BDADRP CC(C)(C)[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000262580459 385861887 /nfs/dbraw/zinc/86/18/87/385861887.db2.gz LTBSECPMCLKKTL-VXGBXAGGSA-N 2 0 249.358 1.176 20 0 BDADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)CCC(C)(C)[NH3+] ZINC000647824963 385867345 /nfs/dbraw/zinc/86/73/45/385867345.db2.gz JGUHRIANFSDOMB-ZDUSSCGKSA-N 2 0 243.395 1.384 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647830557 385872558 /nfs/dbraw/zinc/87/25/58/385872558.db2.gz QSSDNOHBLUTFSM-ZDUSSCGKSA-N 3 0 225.380 1.047 20 0 BDADRP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H](C)C[NH3+])CC2 ZINC000414873676 385878292 /nfs/dbraw/zinc/87/82/92/385878292.db2.gz HSPSCQZOVMTXCT-FZMZJTMJSA-N 2 0 248.370 1.737 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@@H]2CC[C@H](F)C2)CC1 ZINC000335017821 385975301 /nfs/dbraw/zinc/97/53/01/385975301.db2.gz NTQJOVWTCFZOLA-POSLAHMBSA-N 2 0 214.328 1.984 20 0 BDADRP CC[NH+]1CCC(N[C@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000335019215 385978982 /nfs/dbraw/zinc/97/89/82/385978982.db2.gz LUKIJDIPZXASIT-JSGCOSHPSA-N 2 0 239.407 1.448 20 0 BDADRP COc1cccc2c1CC[C@H]([NH2+]C[C@@H](C)C[NH3+])C2 ZINC000414878663 385939201 /nfs/dbraw/zinc/93/92/01/385939201.db2.gz OOVVYPCNUJSKCJ-AAEUAGOBSA-N 2 0 248.370 1.737 20 0 BDADRP CO[C@@H](C[N@@H+]1CC[C@H](C[NH+](C)C)C1)C1CC1 ZINC000425399849 385949570 /nfs/dbraw/zinc/94/95/70/385949570.db2.gz FDGKFPTYVTURIR-YPMHNXCESA-N 2 0 226.364 1.295 20 0 BDADRP COc1cc(C)c(C[NH2+]C[C@H](C)C[NH3+])c(C)n1 ZINC000414879477 385952415 /nfs/dbraw/zinc/95/24/15/385952415.db2.gz PMBCJXVIXTXXQW-SECBINFHSA-N 2 0 237.347 1.391 20 0 BDADRP CC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000335053679 385954615 /nfs/dbraw/zinc/95/46/15/385954615.db2.gz ZPOKPGKYOGWIPM-TZMCWYRMSA-N 2 0 232.327 1.852 20 0 BDADRP CC(C)N(C)C(=O)[C@H](C)N1CCC(C)([NH3+])CC1 ZINC000647924821 385958588 /nfs/dbraw/zinc/95/85/88/385958588.db2.gz NDHGIVQRKDLSDF-NSHDSACASA-N 2 0 241.379 1.055 20 0 BDADRP CCc1nn(C)c(CC)c1C[NH2+]C[C@H](C)C[NH3+] ZINC000414880024 385962560 /nfs/dbraw/zinc/96/25/60/385962560.db2.gz QHWXANHQVUSRIC-SNVBAGLBSA-N 2 0 238.379 1.229 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC12CCCC2)C1C[NH2+]C1 ZINC000335012237 385968744 /nfs/dbraw/zinc/96/87/44/385968744.db2.gz XHBUYVLCQBEANY-JQWIXIFHSA-N 2 0 208.349 1.907 20 0 BDADRP CO[C@H](C[NH+]1CCC([NH+](C)C)CC1)C1CC1 ZINC000425408037 385970333 /nfs/dbraw/zinc/97/03/33/385970333.db2.gz QSKFSXPXRYMOAP-CYBMUJFWSA-N 2 0 226.364 1.437 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)[C@H]1C[C@H]1C ZINC000414124021 385973071 /nfs/dbraw/zinc/97/30/71/385973071.db2.gz CJENJKDHSLPHQY-YTWAJWBKSA-N 2 0 219.332 1.901 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CC1=CCCOC1 ZINC000335015764 385973510 /nfs/dbraw/zinc/97/35/10/385973510.db2.gz AEAIDKZZPYBWTL-QWHCGFSZSA-N 2 0 224.348 1.583 20 0 BDADRP C[C@H]([NH2+]C[C@@]1(O)CCN(C)C1)[C@@H]1CC1(C)C ZINC000336750366 386003412 /nfs/dbraw/zinc/00/34/12/386003412.db2.gz USMJNFBUNCOJDG-GVXVVHGQSA-N 2 0 226.364 1.077 20 0 BDADRP C(CN1CC[NH2+]CC1)[NH2+][C@H]1CCC[C@@H]1C1CC1 ZINC000414882812 386009194 /nfs/dbraw/zinc/00/91/94/386009194.db2.gz MUFJJRJGVNVDKB-KGLIPLIRSA-N 2 0 237.391 1.060 20 0 BDADRP COCc1cccc(C[NH2+][C@@H](C)CC[NH3+])c1 ZINC000414882004 386009502 /nfs/dbraw/zinc/00/95/02/386009502.db2.gz LMVDYCQPMNUDQZ-NSHDSACASA-N 2 0 222.332 1.660 20 0 BDADRP Cc1ccc([C@@H]([NH3+])C(=O)N[C@H](C)CCC[NH3+])cc1 ZINC000295320350 386011223 /nfs/dbraw/zinc/01/12/23/386011223.db2.gz WUIPTOZBFQRTOY-DGCLKSJQSA-N 2 0 249.358 1.238 20 0 BDADRP C[NH2+]C1CC[NH+](CC2(OC)CCCC2)CC1 ZINC000309510167 386014146 /nfs/dbraw/zinc/01/41/46/386014146.db2.gz OYJYYPWWYLBNID-UHFFFAOYSA-N 2 0 226.364 1.629 20 0 BDADRP CCCC[C@H](COC)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414882570 386015367 /nfs/dbraw/zinc/01/53/67/386015367.db2.gz BXOWSJFZLRDPKT-NEPJUHHUSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cn[nH]c1 ZINC000414169569 386015740 /nfs/dbraw/zinc/01/57/40/386015740.db2.gz BHCZEOUWFFXTTN-VXGBXAGGSA-N 2 0 236.363 1.792 20 0 BDADRP Cc1ccc([C@H]([NH3+])C(=O)NC[C@@H]([NH3+])C(C)C)cc1 ZINC000295331950 386015822 /nfs/dbraw/zinc/01/58/22/386015822.db2.gz ZOPQPNJKMKYPKB-OLZOCXBDSA-N 2 0 249.358 1.094 20 0 BDADRP C[C@@H](C[NH2+][C@@H]1CCOC(C)(C)C1)C[NH+](C)C ZINC000309731391 386026079 /nfs/dbraw/zinc/02/60/79/386026079.db2.gz FGXMIQTZSVRTDE-NWDGAFQWSA-N 2 0 228.380 1.731 20 0 BDADRP CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000336771259 386033230 /nfs/dbraw/zinc/03/32/30/386033230.db2.gz UIJJVTLSECFQRQ-YVECIDJPSA-N 2 0 226.364 1.484 20 0 BDADRP [NH3+][C@H](C[NH2+][C@H]1CCC[C@H]1C1CC1)C1CC1 ZINC000414883855 386035481 /nfs/dbraw/zinc/03/54/81/386035481.db2.gz DSGGRXBMJXDNNL-XQQFMLRXSA-N 2 0 208.349 1.892 20 0 BDADRP CCn1nccc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414980863 386057424 /nfs/dbraw/zinc/05/74/24/386057424.db2.gz WZJLZDAWNAOCKU-GFCCVEGCSA-N 2 0 236.363 1.525 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)CC[NH2+]1 ZINC000414664089 386105317 /nfs/dbraw/zinc/10/53/17/386105317.db2.gz SYMOOAKSTVIFGQ-LPWJVIDDSA-N 2 0 225.380 1.044 20 0 BDADRP COc1cc(C[NH2+]C[C@@H](C)C[NH3+])cc(OC)c1 ZINC000414889556 386116671 /nfs/dbraw/zinc/11/66/71/386116671.db2.gz TXZKEDBGGBRWFV-JTQLQIEISA-N 2 0 238.331 1.388 20 0 BDADRP Cc1cncc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000335027370 386067860 /nfs/dbraw/zinc/06/78/60/386067860.db2.gz SQUDUHSSQSJVNE-OCCSQVGLSA-N 2 0 233.359 1.868 20 0 BDADRP CN1CC[NH2+]C[C@@H]1CN[C@@H]1CCCc2occc21 ZINC000335026196 386067912 /nfs/dbraw/zinc/06/79/12/386067912.db2.gz BQVCHTLFILKQBJ-DGCLKSJQSA-N 2 0 249.358 1.150 20 0 BDADRP Cc1cnccc1NC(=O)NCCn1ccnc1 ZINC000121475380 386072429 /nfs/dbraw/zinc/07/24/29/386072429.db2.gz YXHKDIYOGOAMDQ-UHFFFAOYSA-N 2 0 245.286 1.408 20 0 BDADRP CO[C@@H](C)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365404141 386076686 /nfs/dbraw/zinc/07/66/86/386076686.db2.gz OUJYRWYDGFKLSK-NWDGAFQWSA-N 2 0 214.353 1.437 20 0 BDADRP C[C@@H](CC[NH+](C)C)NCc1cc(O)cc(F)c1 ZINC000223121347 386078105 /nfs/dbraw/zinc/07/81/05/386078105.db2.gz JWKVENLXQBTRII-JTQLQIEISA-N 2 0 240.322 1.961 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414655679 386081696 /nfs/dbraw/zinc/08/16/96/386081696.db2.gz DVAMRBDXQPUUGA-FDYHWXHSSA-N 2 0 225.380 1.044 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](C)[C@H]2CN)CC[NH2+]1 ZINC000414657084 386085697 /nfs/dbraw/zinc/08/56/97/386085697.db2.gz JMDPILCFOYNLAX-AAVRWANBSA-N 2 0 239.407 1.434 20 0 BDADRP Cc1cc(C)n2c(C[NH2+][C@@H](C)CC[NH3+])cnc2n1 ZINC000414887594 386092736 /nfs/dbraw/zinc/09/27/36/386092736.db2.gz QSVDJQZEUYJKNF-VIFPVBQESA-N 2 0 247.346 1.173 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+](C)CC(C)(C)C[NH3+])CC[NH2+]1 ZINC000414663328 386097520 /nfs/dbraw/zinc/09/75/20/386097520.db2.gz REEHECCYABFRJY-VXGBXAGGSA-N 3 0 227.396 1.291 20 0 BDADRP C[NH2+]CCC1CCN(CC[NH2+]C(C)(C)C)CC1 ZINC000414662072 386100270 /nfs/dbraw/zinc/10/02/70/386100270.db2.gz PVZWPNYOCRXJSB-UHFFFAOYSA-N 2 0 241.423 1.696 20 0 BDADRP Cc1cccc(C[NH2+]C[C@@H](C)C[NH3+])c1C ZINC000414892560 386147527 /nfs/dbraw/zinc/14/75/27/386147527.db2.gz XJLQDQHCEHYHTO-JTQLQIEISA-N 2 0 206.333 1.988 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414991961 386150449 /nfs/dbraw/zinc/15/04/49/386150449.db2.gz BIGLPLKCRJFXST-XQQFMLRXSA-N 3 0 227.396 1.467 20 0 BDADRP CCCCCN(CCO)C[C@@H]([NH3+])CC(C)C ZINC000414677767 386157249 /nfs/dbraw/zinc/15/72/49/386157249.db2.gz JOTQOHWPOVPLTM-ZDUSSCGKSA-N 2 0 230.396 1.844 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[N@H+](CCO)C1CCCCC1 ZINC000414678968 386160611 /nfs/dbraw/zinc/16/06/11/386160611.db2.gz YTCOFCGYXNHPAR-CYBMUJFWSA-N 2 0 242.407 1.987 20 0 BDADRP COc1ccc(CNC[C@H]([NH3+])C2CC2)cc1O ZINC000414893389 386162068 /nfs/dbraw/zinc/16/20/68/386162068.db2.gz KGHFPXKZRFTBBG-NSHDSACASA-N 2 0 236.315 1.228 20 0 BDADRP C[C@H]1C[C@H](N(C)CC[NH2+]C(C)(C)C)CC[N@@H+]1C ZINC000414692634 386182225 /nfs/dbraw/zinc/18/22/25/386182225.db2.gz CYNCVMQBVQWEAC-QWHCGFSZSA-N 2 0 241.423 1.789 20 0 BDADRP CSC1(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CC1 ZINC000335151031 386143608 /nfs/dbraw/zinc/14/36/08/386143608.db2.gz GQYYYSJUQNQWEU-PHIMTYICSA-N 2 0 226.389 1.375 20 0 BDADRP CC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000339008852 386206879 /nfs/dbraw/zinc/20/68/79/386206879.db2.gz DGOWEHAUWNEDRS-KBPBESRZSA-N 2 0 240.391 1.421 20 0 BDADRP c1cc([C@H]2CCC[N@@H+](C[C@H]3CC[NH2+]C3)C2)n[nH]1 ZINC000647881021 386207160 /nfs/dbraw/zinc/20/71/60/386207160.db2.gz UXXVAETZLNXXFI-RYUDHWBXSA-N 2 0 234.347 1.199 20 0 BDADRP CC[C@H](O)C[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000339011885 386209636 /nfs/dbraw/zinc/20/96/36/386209636.db2.gz WGFRVINCPZRPLK-AVGNSLFASA-N 2 0 228.380 1.562 20 0 BDADRP c1cn(CC[N@@H+]2CCCc3occc3C2)cn1 ZINC000288672020 386225208 /nfs/dbraw/zinc/22/52/08/386225208.db2.gz CIJPFURVNHWDEZ-UHFFFAOYSA-N 2 0 231.299 1.925 20 0 BDADRP C[C@H]1C[C@H](C[N@H+](C)Cc2ccon2)CC[NH2+]1 ZINC000414717203 386241885 /nfs/dbraw/zinc/24/18/85/386241885.db2.gz XVPCDMSEZGUSQJ-WDEREUQCSA-N 2 0 223.320 1.495 20 0 BDADRP CC[C@@H]1C[C@H](C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)CCO1 ZINC000347099019 386250583 /nfs/dbraw/zinc/25/05/83/386250583.db2.gz JCFPQSJWEUOIDT-AAVRWANBSA-N 2 0 240.391 1.861 20 0 BDADRP C[N@H+](CCn1ccnc1)[C@H]1CC[C@H](O)CC1 ZINC000275929543 386251460 /nfs/dbraw/zinc/25/14/60/386251460.db2.gz XCFZQVRJDNYEQA-HAQNSBGRSA-N 2 0 223.320 1.118 20 0 BDADRP CC[N@H+](CCC(=O)OC)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414695458 386193337 /nfs/dbraw/zinc/19/33/37/386193337.db2.gz UUQPYIUSICERFR-NEPJUHHUSA-N 2 0 242.363 1.260 20 0 BDADRP C[C@@H]1CN(CCC[NH3+])[C@H](c2ccccc2)CO1 ZINC000414695610 386196419 /nfs/dbraw/zinc/19/64/19/386196419.db2.gz GTDRIKHZMWGALG-OCCSQVGLSA-N 2 0 234.343 1.797 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCCSC2)C1 ZINC000415004541 386281147 /nfs/dbraw/zinc/28/11/47/386281147.db2.gz OIINCSYQZPXZMV-IJLUTSLNSA-N 2 0 228.405 1.989 20 0 BDADRP CN(CC[NH2+]C(C)(C)C)[C@H]1CCC[NH2+]CC1 ZINC000414731219 386287667 /nfs/dbraw/zinc/28/76/67/386287667.db2.gz FMWODPKRTKNLOC-LBPRGKRZSA-N 2 0 227.396 1.448 20 0 BDADRP Cc1ccncc1CCC[NH2+]CCC[NH+](C)C ZINC000289362411 386290681 /nfs/dbraw/zinc/29/06/81/386290681.db2.gz YVJCZSBCZJIEAK-UHFFFAOYSA-N 2 0 235.375 1.864 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CC[C@](C)(C[NH3+])C1 ZINC000414733666 386296891 /nfs/dbraw/zinc/29/68/91/386296891.db2.gz JYTUCVXOABLXEQ-VXGBXAGGSA-N 3 0 213.369 1.031 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)C(C)C)C1 ZINC000336667774 386297637 /nfs/dbraw/zinc/29/76/37/386297637.db2.gz ORZRJTRQHXHYJH-CHWSQXEVSA-N 2 0 228.380 1.277 20 0 BDADRP CC[N@@H+]1C[C@H](C)N(C[C@@H]([NH3+])CC(C)C)C[C@H]1C ZINC000414733957 386300449 /nfs/dbraw/zinc/30/04/49/386300449.db2.gz FJQZGHOELFOTIR-RDBSUJKOSA-N 2 0 241.423 1.774 20 0 BDADRP C[C@@H](O)CCC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000336672504 386302226 /nfs/dbraw/zinc/30/22/26/386302226.db2.gz SXHKFIRSXPGUPP-CHWSQXEVSA-N 2 0 228.380 1.421 20 0 BDADRP CC[C@]1(CO)CCC[N@@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414737071 386305039 /nfs/dbraw/zinc/30/50/39/386305039.db2.gz IIQJHBXSUWXUAP-BFHYXJOUSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)CC[NH2+]1 ZINC000414738365 386317253 /nfs/dbraw/zinc/31/72/53/386317253.db2.gz JEPSASZRNGYPIY-PEBLQZBPSA-N 2 0 238.375 1.077 20 0 BDADRP [NH3+]CC1(CN2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1 ZINC000414738108 386318184 /nfs/dbraw/zinc/31/81/84/386318184.db2.gz OJNWCOVMNPUQRC-UONOGXRCSA-N 2 0 245.370 1.152 20 0 BDADRP Cc1ncccc1C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414902065 386322454 /nfs/dbraw/zinc/32/24/54/386322454.db2.gz KDNBVTMRCACJCU-AWEZNQCLSA-N 2 0 233.359 1.869 20 0 BDADRP C[C@@H](O)CC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000336653358 386268782 /nfs/dbraw/zinc/26/87/82/386268782.db2.gz YESKFSHIFRBIGX-VXGBXAGGSA-N 2 0 214.353 1.031 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000331928429 386273430 /nfs/dbraw/zinc/27/34/30/386273430.db2.gz HIHPMLLRVYVKAJ-NNYUYHANSA-N 2 0 214.353 1.395 20 0 BDADRP Cc1ccn2c(C[NH2+]C[C@H]3CC[NH2+]C3)cnc2c1 ZINC000414903538 386340079 /nfs/dbraw/zinc/34/00/79/386340079.db2.gz IMFIEYISOJHIAI-LBPRGKRZSA-N 2 0 244.342 1.342 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](CCC[C@@H](C)O)C1 ZINC000336682730 386340483 /nfs/dbraw/zinc/34/04/83/386340483.db2.gz YPOJKIBVHYNFLB-CHWSQXEVSA-N 2 0 228.380 1.421 20 0 BDADRP C[C@H](O)CCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000336682769 386340609 /nfs/dbraw/zinc/34/06/09/386340609.db2.gz FDABTLCNCJDMGS-KBPBESRZSA-N 2 0 240.391 1.565 20 0 BDADRP Cc1ccncc1CCCNCC(F)(F)CO ZINC000289796441 386354340 /nfs/dbraw/zinc/35/43/40/386354340.db2.gz SDFZVZXXTUMBBY-UHFFFAOYSA-N 2 0 244.285 1.540 20 0 BDADRP CC[C@@H](C(=O)N1CCC[C@@H]([NH3+])C1)[NH+](CC)CC ZINC000347362620 386364926 /nfs/dbraw/zinc/36/49/26/386364926.db2.gz CJMUAVZVOHSXMF-NEPJUHHUSA-N 2 0 241.379 1.057 20 0 BDADRP CC[N@@H+]1CC[C@@H](NCC[C@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000414906082 386372010 /nfs/dbraw/zinc/37/20/10/386372010.db2.gz ORYNMTRTTLIXDQ-MGPQQGTHSA-N 3 0 239.407 1.448 20 0 BDADRP CC[N@H+](C)C[C@H]1CCN(CCOCC(C)C)C1 ZINC000336695644 386373528 /nfs/dbraw/zinc/37/35/28/386373528.db2.gz OAUFIPJPQSLWNE-CQSZACIVSA-N 2 0 242.407 1.933 20 0 BDADRP [NH3+]CCC[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000414741958 386327614 /nfs/dbraw/zinc/32/76/14/386327614.db2.gz MTALWMORFSUFQH-GFCCVEGCSA-N 2 0 212.337 1.226 20 0 BDADRP CC[N@@H+]1C[C@H](C)N(C[C@@H]2CC[NH2+]C2)C[C@@H]1C ZINC000647989120 386336875 /nfs/dbraw/zinc/33/68/75/386336875.db2.gz LCKBIKAKBAVQCX-RWMBFGLXSA-N 2 0 225.380 1.010 20 0 BDADRP C[C@H](CC1CCOCC1)C[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC000414767188 386439078 /nfs/dbraw/zinc/43/90/78/386439078.db2.gz IPCQQBHSMYRYRP-YRGRVCCFSA-N 2 0 240.391 1.861 20 0 BDADRP CC[C@H]1C[C@@H](C[N@H+](C)C2CC([NH3+])C2)CCO1 ZINC000414768079 386442778 /nfs/dbraw/zinc/44/27/78/386442778.db2.gz HEWVPTLLSVDGHJ-WTIISPKJSA-N 2 0 226.364 1.613 20 0 BDADRP C[C@H]([NH3+])CN1CC[C@H](CNc2ccccn2)C1 ZINC000442643642 386395705 /nfs/dbraw/zinc/39/57/05/386395705.db2.gz ANRPXBBJLSQVFT-NWDGAFQWSA-N 3 0 234.347 1.163 20 0 BDADRP Cc1ccc(CCC[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cn1 ZINC000339407082 386411012 /nfs/dbraw/zinc/41/10/12/386411012.db2.gz KWWDFFBUYCNOTN-DZGCQCFKSA-N 2 0 247.386 1.992 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](CC2(O)CCCC2)C1 ZINC000336707715 386413749 /nfs/dbraw/zinc/41/37/49/386413749.db2.gz HMYHKABDRGEOAI-CYBMUJFWSA-N 2 0 240.391 1.565 20 0 BDADRP CC[N@@H+]1CC[C@@H](N[C@@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000414909721 386415204 /nfs/dbraw/zinc/41/52/04/386415204.db2.gz CFXRFLQTAJEATB-JHJVBQTASA-N 2 0 225.380 1.058 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000414760444 386415422 /nfs/dbraw/zinc/41/54/22/386415422.db2.gz GXMKFEIRTYQFKD-CYBMUJFWSA-N 3 0 239.407 1.435 20 0 BDADRP CCOCC[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339429233 386420433 /nfs/dbraw/zinc/42/04/33/386420433.db2.gz QRLOQQYHIRICFZ-CYBMUJFWSA-N 2 0 226.364 1.441 20 0 BDADRP CC(C)(C)[NH2+]CCN1CC[NH2+]C[C@](C)(F)C1 ZINC000414775710 386476323 /nfs/dbraw/zinc/47/63/23/386476323.db2.gz MNVADFQXHZCMIO-LBPRGKRZSA-N 2 0 231.359 1.008 20 0 BDADRP C([C@H]1CCC[NH2+]C1)N1CCOCC12CCCC2 ZINC000334625485 386483361 /nfs/dbraw/zinc/48/33/61/386483361.db2.gz NBOHERXGHTWBHP-ZDUSSCGKSA-N 2 0 238.375 1.631 20 0 BDADRP CCCC[C@H](CC)[NH2+]CCCN1CC[NH2+]CC1 ZINC000414780154 386491266 /nfs/dbraw/zinc/49/12/66/386491266.db2.gz KQJQOSZUACZEOX-AWEZNQCLSA-N 2 0 241.423 1.840 20 0 BDADRP CCc1nc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cs1 ZINC000415044472 386529394 /nfs/dbraw/zinc/52/93/94/386529394.db2.gz SRPABBULEBVJLW-ZJUUUORDSA-N 2 0 239.388 1.923 20 0 BDADRP CC(C)(C)C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415042518 386529436 /nfs/dbraw/zinc/52/94/36/386529436.db2.gz QPWNUKHBOUPOBG-JTQLQIEISA-N 2 0 200.326 1.001 20 0 BDADRP C[C@H](C[NH2+]C1CC[NH2+]CC1)CC1CCOCC1 ZINC000414780432 386494645 /nfs/dbraw/zinc/49/46/45/386494645.db2.gz BBADUMMJVZOVDR-LBPRGKRZSA-N 2 0 240.391 1.781 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000415043353 386529663 /nfs/dbraw/zinc/52/96/63/386529663.db2.gz RTRNRQFAOSUUDY-JSGCOSHPSA-N 3 0 239.407 1.578 20 0 BDADRP CC[C@H](C)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000414780258 386500965 /nfs/dbraw/zinc/50/09/65/386500965.db2.gz SNFHHWISGVTHDS-YUTCNCBUSA-N 2 0 240.391 1.861 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000415018515 386502589 /nfs/dbraw/zinc/50/25/89/386502589.db2.gz GZBABIQHNLGCBX-LLVKDONJSA-N 2 0 238.379 1.855 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cncc(F)c1 ZINC000415017899 386503835 /nfs/dbraw/zinc/50/38/35/386503835.db2.gz SREFIEVLFOOHFY-SNVBAGLBSA-N 2 0 225.311 1.828 20 0 BDADRP Cc1ccc(F)cc1CN[C@@H](C)[C@@H](C)[NH3+] ZINC000415017693 386503878 /nfs/dbraw/zinc/50/38/78/386503878.db2.gz QKBRCYBPDWGHDN-ZJUUUORDSA-N 2 0 210.296 1.959 20 0 BDADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)[C@]1(C)CCCO1 ZINC000340366521 386505375 /nfs/dbraw/zinc/50/53/75/386505375.db2.gz PJPPKTBEBSSSSA-OLZOCXBDSA-N 2 0 244.379 1.112 20 0 BDADRP CC[N@H+](C)C[C@@H]1CCN(c2cc(C)nc(C)n2)C1 ZINC000267181016 386506717 /nfs/dbraw/zinc/50/67/17/386506717.db2.gz BPAFIBRPYVJMOG-ZDUSSCGKSA-N 2 0 248.374 1.871 20 0 BDADRP C1CC1[C@@H]1CCC[C@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415049114 386506999 /nfs/dbraw/zinc/50/69/99/386506999.db2.gz AOLSAFFQULOVMP-KIJLLGNVSA-N 2 0 206.333 1.373 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000415020314 386507898 /nfs/dbraw/zinc/50/78/98/386507898.db2.gz XAAMCLZFXWVOAU-UPJWGTAASA-N 3 0 227.396 1.482 20 0 BDADRP CC[C@@H]1C[C@@H](C[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)CCO1 ZINC000415052065 386508589 /nfs/dbraw/zinc/50/85/89/386508589.db2.gz GYOHNRHRPFXNSI-RVMXOQNASA-N 2 0 226.364 1.613 20 0 BDADRP CCCC[C@H](COC)[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000415019638 386508629 /nfs/dbraw/zinc/50/86/29/386508629.db2.gz SDLYDACYYRATEA-HBNTYKKESA-N 2 0 202.342 1.517 20 0 BDADRP CC[C@H]1C[C@@H](C[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)CCO1 ZINC000415052063 386509076 /nfs/dbraw/zinc/50/90/76/386509076.db2.gz GYOHNRHRPFXNSI-CYDGBPFRSA-N 2 0 226.364 1.613 20 0 BDADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cccc3c[nH]nc32)C1 ZINC000415051836 386509353 /nfs/dbraw/zinc/50/93/53/386509353.db2.gz ZVAIBYOSWPAJOG-MFKMUULPSA-N 2 0 244.342 1.780 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cn2ccccc2n1 ZINC000415020202 386509673 /nfs/dbraw/zinc/50/96/73/386509673.db2.gz JJIKCAMEACWSKX-NSHDSACASA-N 2 0 232.331 1.551 20 0 BDADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2ccccn2)CC1 ZINC000415020513 386511562 /nfs/dbraw/zinc/51/15/62/386511562.db2.gz GQFBGCJPISNONR-JOCQHMNTSA-N 2 0 233.359 1.936 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000340371804 386514088 /nfs/dbraw/zinc/51/40/88/386514088.db2.gz QDYOJEIWTKMTRF-CHWSQXEVSA-N 2 0 236.363 1.346 20 0 BDADRP CCOC[C@H](C)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415028146 386516086 /nfs/dbraw/zinc/51/60/86/386516086.db2.gz XZCRDEVNUWYTQO-AVGNSLFASA-N 2 0 228.380 1.766 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc2c(c1)ncn2C ZINC000415027995 386516645 /nfs/dbraw/zinc/51/66/45/386516645.db2.gz XQNKHSHSLOSLOI-LLVKDONJSA-N 2 0 246.358 1.790 20 0 BDADRP Cc1[nH]nc2ncc(C[NH2+][C@H](C)CCC[NH3+])cc12 ZINC000415027993 386516731 /nfs/dbraw/zinc/51/67/31/386516731.db2.gz XPZPGRONMUUZEI-SECBINFHSA-N 2 0 247.346 1.483 20 0 BDADRP Cc1ccncc1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000135500291 386519579 /nfs/dbraw/zinc/51/95/79/386519579.db2.gz LEDYLPMGEMEOQK-OLZOCXBDSA-N 2 0 233.359 1.949 20 0 BDADRP C[C@@H]1CCCC[C@H]1C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415033310 386520883 /nfs/dbraw/zinc/52/08/83/386520883.db2.gz GXEXPLQETFPFKD-RDBSUJKOSA-N 2 0 240.391 1.781 20 0 BDADRP CCC[C@H](C)C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415033296 386521073 /nfs/dbraw/zinc/52/10/73/386521073.db2.gz GWHGVGYBUAHUDQ-NWDGAFQWSA-N 2 0 214.353 1.391 20 0 BDADRP CC[N@H+](CCn1ccnc1)C[C@H](C)OC ZINC000291230776 386525667 /nfs/dbraw/zinc/52/56/67/386525667.db2.gz MIAHYYFKFQCJMN-NSHDSACASA-N 2 0 211.309 1.240 20 0 BDADRP C[C@H]1C[C@H](C[N@H+](C)Cc2ccnn2C)CC[NH2+]1 ZINC000414770220 386456008 /nfs/dbraw/zinc/45/60/08/386456008.db2.gz XVGDKWXUCNRTSF-NWDGAFQWSA-N 2 0 236.363 1.240 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CNC[C@@]1(C)CC[NH2+]C1 ZINC000415074293 386575165 /nfs/dbraw/zinc/57/51/65/386575165.db2.gz CGCOERKZDCZCHT-KGLIPLIRSA-N 2 0 239.407 1.450 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000415076753 386578101 /nfs/dbraw/zinc/57/81/01/386578101.db2.gz BDCLBIHDISQVFH-IGQOVBAYSA-N 2 0 240.391 1.907 20 0 BDADRP COC[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977533 386578359 /nfs/dbraw/zinc/57/83/59/386578359.db2.gz DBRVSPFNYLFKKP-BFHYXJOUSA-N 2 0 240.391 1.733 20 0 BDADRP CS[C@@H]1CC[C@@H]1[NH2+][C@H](C)CC[NH+](C)C ZINC000336644462 386586954 /nfs/dbraw/zinc/58/69/54/386586954.db2.gz ALOSZZNCZVNSNL-OUAUKWLOSA-N 2 0 216.394 1.810 20 0 BDADRP CCn1cc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cn1 ZINC000414800566 386587936 /nfs/dbraw/zinc/58/79/36/386587936.db2.gz LCLLRKRUOXKITN-OLZOCXBDSA-N 2 0 236.363 1.510 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cnn2ccccc12 ZINC000414801555 386589600 /nfs/dbraw/zinc/58/96/00/386589600.db2.gz UKWCSAXJRVUVBE-DGCLKSJQSA-N 2 0 244.342 1.551 20 0 BDADRP CCn1nccc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000414801505 386590815 /nfs/dbraw/zinc/59/08/15/386590815.db2.gz UEYQACKZUJXVHS-JQWIXIFHSA-N 2 0 222.336 1.120 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)[C@@H]1CCCO1 ZINC000415080938 386591011 /nfs/dbraw/zinc/59/10/11/386591011.db2.gz MLZIIOJBDGXAON-AGIUHOORSA-N 2 0 226.364 1.676 20 0 BDADRP CCN1CCCC[C@H]1C[NH2+]CC1CC[NH2+]CC1 ZINC000415080792 386591299 /nfs/dbraw/zinc/59/12/99/386591299.db2.gz MAUQAWJXZSKTSN-AWEZNQCLSA-N 2 0 239.407 1.450 20 0 BDADRP c1nc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c[nH]1 ZINC000335423762 386598762 /nfs/dbraw/zinc/59/87/62/386598762.db2.gz NOXPPSVRFQGFTK-KOLCDFICSA-N 2 0 207.277 1.021 20 0 BDADRP CC(C)OCCC[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415081523 386593078 /nfs/dbraw/zinc/59/30/78/386593078.db2.gz KPRJZFZVKQKRMW-CHWSQXEVSA-N 2 0 228.380 1.779 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)[C@H]1CCCO1 ZINC000415084453 386596163 /nfs/dbraw/zinc/59/61/63/386596163.db2.gz RHWVHLPPMKYCTR-FRRDWIJNSA-N 2 0 226.364 1.533 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)NCC1([NH3+])CCCCC1 ZINC000442713477 386531531 /nfs/dbraw/zinc/53/15/31/386531531.db2.gz IFGODFYIUHMOQV-NSHDSACASA-N 2 0 241.379 1.282 20 0 BDADRP C[C@H]1C[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@@H](C)C1 ZINC000415046952 386534102 /nfs/dbraw/zinc/53/41/02/386534102.db2.gz YCJBRTPCEQSUQS-JAJHZTCNSA-N 2 0 208.349 1.619 20 0 BDADRP CCCC(CCC)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415048125 386534174 /nfs/dbraw/zinc/53/41/74/386534174.db2.gz WTONZUZLBYIWLN-CYBMUJFWSA-N 2 0 228.380 1.923 20 0 BDADRP CCCn1cc(CN[C@H](C[NH3+])C(C)(C)C)cn1 ZINC000415056489 386536772 /nfs/dbraw/zinc/53/67/72/386536772.db2.gz QSCQHAFIWBBOOD-GFCCVEGCSA-N 2 0 238.379 1.756 20 0 BDADRP Cn1nccc1CN[C@@H](C[NH3+])C1CCCC1 ZINC000415061714 386539955 /nfs/dbraw/zinc/53/99/55/386539955.db2.gz DDVQYEGMOVEDGO-LBPRGKRZSA-N 2 0 222.336 1.027 20 0 BDADRP C([C@H]1CC[NH2+]C1)[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000647995247 386547650 /nfs/dbraw/zinc/54/76/50/386547650.db2.gz IZWXZKPPCASQOD-MJBXVCDLSA-N 2 0 238.375 1.487 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN[C@@H](C[NH3+])C1CCCC1 ZINC000415065868 386549400 /nfs/dbraw/zinc/54/94/00/386549400.db2.gz NTNLLVSINSDQEE-OLZOCXBDSA-N 2 0 227.396 1.467 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)[C@@H]1CCCO1 ZINC000415084451 386597183 /nfs/dbraw/zinc/59/71/83/386597183.db2.gz RHWVHLPPMKYCTR-AGIUHOORSA-N 2 0 226.364 1.533 20 0 BDADRP CCc1ccccc1[C@H]([NH3+])CN[C@@H]1CC[NH2+]C1 ZINC000415067844 386551634 /nfs/dbraw/zinc/55/16/34/386551634.db2.gz QBQIXZHONYMHQL-TZMCWYRMSA-N 2 0 233.359 1.200 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCC2CC(O)C2)C1 ZINC000519762406 386552137 /nfs/dbraw/zinc/55/21/37/386552137.db2.gz AXPHYGUBFQLJIA-YECOWLKZSA-N 2 0 212.337 1.007 20 0 BDADRP CCc1ccccc1[C@@H]([NH3+])CN[C@@H]1CC[NH2+]C1 ZINC000415067843 386552302 /nfs/dbraw/zinc/55/23/02/386552302.db2.gz QBQIXZHONYMHQL-OCCSQVGLSA-N 2 0 233.359 1.200 20 0 BDADRP CC[NH+](CC)CCN[C@@H]1C[N@H+](CC)C[C@H]1C ZINC000336780470 386554039 /nfs/dbraw/zinc/55/40/39/386554039.db2.gz RKQDHIZCNXUNFI-CHWSQXEVSA-N 2 0 227.396 1.258 20 0 BDADRP [NH3+]C[C@@H]1c2ccccc2CCN1C[C@H]1CC[NH2+]C1 ZINC000647995785 386559148 /nfs/dbraw/zinc/55/91/48/386559148.db2.gz GFSFBTOVBKURQZ-SWLSCSKDSA-N 2 0 245.370 1.154 20 0 BDADRP C[C@@H](CC[N@H+](C)C[C@@H](O)C[NH3+])c1ccccc1 ZINC000415072569 386562156 /nfs/dbraw/zinc/56/21/56/386562156.db2.gz WUSWUYDDFLREDZ-JSGCOSHPSA-N 2 0 236.359 1.432 20 0 BDADRP CCC([NH3+])(CC)CNCC[NH2+]C(C)(C)C ZINC000414808103 386621420 /nfs/dbraw/zinc/62/14/20/386621420.db2.gz KBVBOJKEFUONNA-UHFFFAOYSA-N 2 0 215.385 1.482 20 0 BDADRP CC[N@@H+]1CC[C@@H](NCC([NH3+])(CC)CC)[C@H](C)C1 ZINC000414808907 386624607 /nfs/dbraw/zinc/62/46/07/386624607.db2.gz LJRWINHYWPHTCZ-CHWSQXEVSA-N 2 0 241.423 1.824 20 0 BDADRP COCCC[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415102834 386624833 /nfs/dbraw/zinc/62/48/33/386624833.db2.gz JZCMLZCZSJCCQX-QWRGUYRKSA-N 2 0 200.326 1.001 20 0 BDADRP OCC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000415125120 386626623 /nfs/dbraw/zinc/62/66/23/386626623.db2.gz RVIMNNCBVMPTKF-UKRRQHHQSA-N 2 0 248.370 1.699 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCOC[C@H]1C ZINC000300900126 386630501 /nfs/dbraw/zinc/63/05/01/386630501.db2.gz VZKYISKZYHTMRK-CHWSQXEVSA-N 2 0 228.380 1.731 20 0 BDADRP Nc1ncc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])s1 ZINC000414810665 386631418 /nfs/dbraw/zinc/63/14/18/386631418.db2.gz VNBLQAXBNVSJET-WCBMZHEXSA-N 2 0 240.376 1.163 20 0 BDADRP Cn1ccnc1CN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000335502758 386632766 /nfs/dbraw/zinc/63/27/66/386632766.db2.gz YZPGFCDDQYGVLY-GHMZBOCLSA-N 2 0 222.336 1.170 20 0 BDADRP C[C@H]([NH3+])c1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000414811625 386636075 /nfs/dbraw/zinc/63/60/75/386636075.db2.gz PZTASMLQRGKKIM-GXTWGEPZSA-N 3 0 247.386 1.796 20 0 BDADRP CCCC[C@H](CN)[NH2+]C1CCC(C[NH3+])CC1 ZINC000414813734 386637720 /nfs/dbraw/zinc/63/77/20/386637720.db2.gz MSWWRSDACOZMTL-WXRRBKDZSA-N 3 0 227.396 1.611 20 0 BDADRP CC[C@H]1C[C@@H](C[NH2+][C@@H]2CCCN[C@@H]2C)CCO1 ZINC000415132962 386639342 /nfs/dbraw/zinc/63/93/42/386639342.db2.gz DEFFGIIIPBKEIV-ZOBORPQBSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]([NH3+])c1ccc(CN[C@H]2CCC[NH2+]C2)cc1 ZINC000414812103 386639815 /nfs/dbraw/zinc/63/98/15/386639815.db2.gz KISOTQKLGNTCFN-RISCZKNCSA-N 2 0 233.359 1.548 20 0 BDADRP Cc1ccc(F)cc1CN[C@H](C[NH3+])C1CC1 ZINC000414812162 386639899 /nfs/dbraw/zinc/63/98/99/386639899.db2.gz WYYBUJRUOWKOGM-CYBMUJFWSA-N 2 0 222.307 1.961 20 0 BDADRP CCCC[C@@H](C[NH3+])NC[C@@H]1CCC[NH2+]C1 ZINC000414813440 386647140 /nfs/dbraw/zinc/64/71/40/386647140.db2.gz MLZXQAWIAYWXNZ-NEPJUHHUSA-N 2 0 213.369 1.093 20 0 BDADRP CCCC[C@@H](C[NH3+])NC[C@@H]([NH3+])CC(C)C ZINC000414815354 386648880 /nfs/dbraw/zinc/64/88/80/386648880.db2.gz PESPPQIJSKQEQF-RYUDHWBXSA-N 2 0 215.385 1.467 20 0 BDADRP Cc1ccccc1OCC[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000415086320 386599515 /nfs/dbraw/zinc/59/95/15/386599515.db2.gz SBEYWVYOSKWNTN-AWEZNQCLSA-N 2 0 248.370 1.963 20 0 BDADRP COc1cc(CC[NH2+]CC(C)(C)[NH3+])ccc1C ZINC000415090941 386611371 /nfs/dbraw/zinc/61/13/71/386611371.db2.gz ZWKFENGESBTWEO-UHFFFAOYSA-N 2 0 236.359 1.873 20 0 BDADRP CC[NH+](CC)CCC[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000415096300 386614448 /nfs/dbraw/zinc/61/44/48/386614448.db2.gz AXUBQLVYWDWDQQ-KGLIPLIRSA-N 3 0 241.423 1.696 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+]C2CCC(C[NH3+])CC2)O1 ZINC000415096237 386614473 /nfs/dbraw/zinc/61/44/73/386614473.db2.gz PNBBXAUGGAABOQ-XVSSEFHLSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@H]1C[C@H](C[N@@H+]2C[C@@H]3C[C@H]2CS3)CC[NH2+]1 ZINC000415108996 386617583 /nfs/dbraw/zinc/61/75/83/386617583.db2.gz LLTUIYZNMKWGTI-USZNOCQGSA-N 2 0 226.389 1.564 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000040503692 386661565 /nfs/dbraw/zinc/66/15/65/386661565.db2.gz SVPGHCZWYSZFBE-DGCLKSJQSA-N 2 0 241.379 1.104 20 0 BDADRP CC[NH+](CC)[C@H]1CCN(CCC[NH2+]C)C1 ZINC000062967713 386663164 /nfs/dbraw/zinc/66/31/64/386663164.db2.gz DOQRVOKLGHXOAM-LBPRGKRZSA-N 2 0 213.369 1.012 20 0 BDADRP C[NH2+]CCN[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000414820664 386663646 /nfs/dbraw/zinc/66/36/46/386663646.db2.gz CNMJEXLKZCGXDO-DZGCQCFKSA-N 2 0 247.386 1.631 20 0 BDADRP COCC1(CC[NH2+][C@H](C)C2C[NH2+]C2)CC1 ZINC000520408391 386667244 /nfs/dbraw/zinc/66/72/44/386667244.db2.gz JYNLDSBLIWFNDJ-SNVBAGLBSA-N 2 0 212.337 1.001 20 0 BDADRP C1C[C@]2(CO1)CCC[N@@H+]([C@H]1CCC[NH2+]CC1)C2 ZINC000335525691 386669333 /nfs/dbraw/zinc/66/93/33/386669333.db2.gz PSBLZUOIWQIBSG-UONOGXRCSA-N 2 0 238.375 1.631 20 0 BDADRP C[C@H]([NH3+])CCN[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000414820870 386672824 /nfs/dbraw/zinc/67/28/24/386672824.db2.gz KBSUFSJYZIVWKI-QEJZJMRPSA-N 2 0 247.386 1.807 20 0 BDADRP C[C@@H]([NH3+])CC[NH2+]Cc1cc(O)cc(F)c1 ZINC000414822577 386675435 /nfs/dbraw/zinc/67/54/35/386675435.db2.gz NBIHRJRJNNGPPU-MRVPVSSYSA-N 2 0 212.268 1.358 20 0 BDADRP CC[C@@H]1C[C@@H](C[NH2+]C[C@H]2CCC[NH2+]C2)CCO1 ZINC000414831098 386710693 /nfs/dbraw/zinc/71/06/93/386710693.db2.gz PMYCZCLQALARBV-MELADBBJSA-N 2 0 240.391 1.781 20 0 BDADRP COC[C@@H](C)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337268900 386685730 /nfs/dbraw/zinc/68/57/30/386685730.db2.gz LCWCJUVSSYPXSF-GFCCVEGCSA-N 2 0 214.353 1.439 20 0 BDADRP C[N@H+](C[C@H]1CCC[NH2+]C1)C[C@@H]1CCCCO1 ZINC000042466612 386686677 /nfs/dbraw/zinc/68/66/77/386686677.db2.gz FYAUPBBJHNIWSV-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP Cc1ccc([C@H](C)[N@H+](C)CCOCC[NH3+])cc1 ZINC000357034105 386695206 /nfs/dbraw/zinc/69/52/06/386695206.db2.gz VJGPTIZRCMBWOW-ZDUSSCGKSA-N 2 0 236.359 1.963 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+]C[C@@H](N)c2ccccc2)CC[NH2+]1 ZINC000414828578 386697462 /nfs/dbraw/zinc/69/74/62/386697462.db2.gz IXQXZGYONCHNRR-VNHYZAJKSA-N 2 0 247.386 1.664 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](CCCCC2CCOCC2)C1 ZINC000302238940 386702813 /nfs/dbraw/zinc/70/28/13/386702813.db2.gz CDZRHEQTEXXIKU-AWEZNQCLSA-N 2 0 240.391 1.864 20 0 BDADRP CC[C@H](C)[C@H]1CCCC[N@@H+]1CCOCC[NH3+] ZINC000357089302 386706361 /nfs/dbraw/zinc/70/63/61/386706361.db2.gz PKPPPFDZIXZXAC-QWHCGFSZSA-N 2 0 228.380 1.862 20 0 BDADRP CC(C)[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1CC1 ZINC000647960643 386730505 /nfs/dbraw/zinc/73/05/05/386730505.db2.gz BCOQDJHFEUXQTE-ZDUSSCGKSA-N 2 0 228.380 1.560 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000414837127 386735417 /nfs/dbraw/zinc/73/54/17/386735417.db2.gz VPBDKWHBEDBUSO-MCIONIFRSA-N 2 0 240.391 1.779 20 0 BDADRP CCS[C@H]1CC[C@@H]([N@H+](C)CCOCC[NH3+])C1 ZINC000357090224 386714379 /nfs/dbraw/zinc/71/43/79/386714379.db2.gz ZZFYZHLQKHADOA-NEPJUHHUSA-N 2 0 246.420 1.568 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](COC)CC(C)C ZINC000414832195 386716203 /nfs/dbraw/zinc/71/62/03/386716203.db2.gz FBGKZDQGGLUPEO-VXGBXAGGSA-N 2 0 216.369 1.493 20 0 BDADRP C[NH2+]CCN[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000414832828 386721518 /nfs/dbraw/zinc/72/15/18/386721518.db2.gz RHWXJKSKOLMYNV-KGLIPLIRSA-N 2 0 233.359 1.289 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CCCN(C)CC[NH+](C)C)C1 ZINC000623088023 386724533 /nfs/dbraw/zinc/72/45/33/386724533.db2.gz SRWVRRTYSCMECQ-KGLIPLIRSA-N 2 0 241.423 1.648 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+]C[C@@H]1CCSC1 ZINC000414835689 386728090 /nfs/dbraw/zinc/72/80/90/386728090.db2.gz HMNQCGQZAZGBBP-ZJUUUORDSA-N 2 0 202.367 1.185 20 0 BDADRP COC1CCC([NH2+]C[C@H]2CCC[NH2+]2)CC1 ZINC000414841207 386751793 /nfs/dbraw/zinc/75/17/93/386751793.db2.gz HLFMYQCHRMZILL-MOENNCHZSA-N 2 0 212.337 1.286 20 0 BDADRP CC[N@@H+]1CC[C@H](NC[C@H](C)C[NH+](C)C)[C@@H](C)C1 ZINC000425940117 386754018 /nfs/dbraw/zinc/75/40/18/386754018.db2.gz VXJPTDPYBVOKSK-IHRRRGAJSA-N 2 0 241.423 1.504 20 0 BDADRP CC[N@@H+]1CC[C@H](NC[C@H](C)C[NH+](C)C)[C@H](C)C1 ZINC000425940119 386754610 /nfs/dbraw/zinc/75/46/10/386754610.db2.gz VXJPTDPYBVOKSK-MJBXVCDLSA-N 2 0 241.423 1.504 20 0 BDADRP CCC[NH+]1CCC(N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000414931204 386762147 /nfs/dbraw/zinc/76/21/47/386762147.db2.gz PRXYZYCYJFCJNG-OCCSQVGLSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CC1(N(C)C)CCC1 ZINC000336665371 386768886 /nfs/dbraw/zinc/76/88/86/386768886.db2.gz PKRIRAHPXHNQLE-LBPRGKRZSA-N 2 0 227.396 1.578 20 0 BDADRP C[C@@H](CC1CCOCC1)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414839451 386741225 /nfs/dbraw/zinc/74/12/25/386741225.db2.gz WKJOQYJELJJXBS-GXTWGEPZSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000336667490 386782575 /nfs/dbraw/zinc/78/25/75/386782575.db2.gz DTLZGFQOTKHWAR-GRYCIOLGSA-N 2 0 214.353 1.661 20 0 BDADRP CCCC[NH+]1CCC([N@H+](C)CCO)CC1 ZINC000357637914 386820145 /nfs/dbraw/zinc/82/01/45/386820145.db2.gz QOBZUZQHJCTROY-UHFFFAOYSA-N 2 0 214.353 1.175 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCC1CCOCC1 ZINC000336673687 386844214 /nfs/dbraw/zinc/84/42/14/386844214.db2.gz UHEWFEZDYQLILB-GFCCVEGCSA-N 2 0 228.380 1.910 20 0 BDADRP C[C@@H]1CCC[C@H](C)[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000334787867 386849035 /nfs/dbraw/zinc/84/90/35/386849035.db2.gz YPSNOVMPDQIKDL-KGLIPLIRSA-N 2 0 239.407 1.402 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]C[C@@H]2CCC[C@H]2O)c2ccccc21 ZINC000331727332 386885800 /nfs/dbraw/zinc/88/58/00/386885800.db2.gz NZWFOZASLSXFEW-BSLXNSKLSA-N 2 0 246.354 1.882 20 0 BDADRP C(CN1CC[C@H]2CC[C@@H](C1)[NH2+]2)C1CC[NH2+]CC1 ZINC000335758814 386886539 /nfs/dbraw/zinc/88/65/39/386886539.db2.gz GQFGOVXMMIZZGJ-KGLIPLIRSA-N 3 0 237.391 1.202 20 0 BDADRP O[C@@H]1CC[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000425356361 386918489 /nfs/dbraw/zinc/91/84/89/386918489.db2.gz NHCQOHAUULBAAN-ZIAGYGMSSA-N 2 0 247.342 1.163 20 0 BDADRP CC1(C)CCCN[C@H]1C[NH2+]C1CCC([NH3+])CC1 ZINC000334867036 386923409 /nfs/dbraw/zinc/92/34/09/386923409.db2.gz ZESWZQAYAPSGEL-BPCQOVAHSA-N 2 0 239.407 1.624 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CCCSC2)CCC[NH2+]C1 ZINC000334871901 386932426 /nfs/dbraw/zinc/93/24/26/386932426.db2.gz CBWGPVALGCSEMD-NEPJUHHUSA-N 2 0 228.405 1.861 20 0 BDADRP COC[C@H](C)C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000518934862 386939554 /nfs/dbraw/zinc/93/95/54/386939554.db2.gz YLAZNFVHNUROIT-KGYLQXTDSA-N 2 0 226.364 1.247 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2CCCCC[C@@H]2[NH3+])CC[NH2+]1 ZINC000332238091 386968613 /nfs/dbraw/zinc/96/86/13/386968613.db2.gz HRTWHWUFFBMFNH-NDBYEHHHSA-N 2 0 225.380 1.377 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000332248460 386969136 /nfs/dbraw/zinc/96/91/36/386969136.db2.gz XQAMMTMTDIDGGE-AAVRWANBSA-N 2 0 240.391 1.787 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC1(CO)CCC1 ZINC000332414248 386975785 /nfs/dbraw/zinc/97/57/85/386975785.db2.gz AWSNZCAAXSNEME-NWDGAFQWSA-N 2 0 226.364 1.256 20 0 BDADRP CC[C@@H](NCC1([NH3+])CCC1)[C@@H]1CCCC[NH2+]1 ZINC000332487462 386984657 /nfs/dbraw/zinc/98/46/57/386984657.db2.gz RUIAOROZUNEGHS-NEPJUHHUSA-N 2 0 225.380 1.378 20 0 BDADRP C[NH+](C)CC[C@H](NC(=O)C[NH+](C)C)C(C)(C)C ZINC000341916333 386993219 /nfs/dbraw/zinc/99/32/19/386993219.db2.gz AYOMBGPLQSRANS-NSHDSACASA-N 2 0 243.395 1.031 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@H]1COCC1(C)C ZINC000313073603 386996958 /nfs/dbraw/zinc/99/69/58/386996958.db2.gz HKDKHEURGZIEPS-GFCCVEGCSA-N 2 0 228.380 1.733 20 0 BDADRP CC[C@@H](CO)[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000332046947 386948268 /nfs/dbraw/zinc/94/82/68/386948268.db2.gz VGJBCXHOFFGEHJ-DCAQKATOSA-N 2 0 200.326 1.007 20 0 BDADRP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000332054055 386950198 /nfs/dbraw/zinc/95/01/98/386950198.db2.gz WTICUNPXQWCCEV-IRCOFANPSA-N 2 0 246.420 1.348 20 0 BDADRP Cc1c[nH]nc1CN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000334820650 386950704 /nfs/dbraw/zinc/95/07/04/386950704.db2.gz MECNUFBBIDXEOP-GXSJLCMTSA-N 2 0 222.336 1.135 20 0 BDADRP CC(C)(C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])C(N)=O ZINC000332058566 386951399 /nfs/dbraw/zinc/95/13/99/386951399.db2.gz XYWBJVYADPOVPA-NXEZZACHSA-N 2 0 227.352 1.797 20 0 BDADRP CC[C@H]([NH2+][C@H]1CN(C)C[C@@H]1C)C1CCOCC1 ZINC000358411478 386952187 /nfs/dbraw/zinc/95/21/87/386952187.db2.gz YVPOUCDDJFAFET-UBHSHLNASA-N 2 0 240.391 1.731 20 0 BDADRP Cc1cc(C2CCN(C[C@@H](C)[NH3+])CC2)n[nH]1 ZINC000334968797 387052170 /nfs/dbraw/zinc/05/21/70/387052170.db2.gz NCEULEZVJVTGCF-SECBINFHSA-N 2 0 222.336 1.245 20 0 BDADRP C[C@@]1(F)CNCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000334969259 387052680 /nfs/dbraw/zinc/05/26/80/387052680.db2.gz BKTKSJWRVHPOKO-CHWSQXEVSA-N 2 0 243.370 1.010 20 0 BDADRP C[C@H](O)CCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000228037017 387061591 /nfs/dbraw/zinc/06/15/91/387061591.db2.gz DHJZECHXPNMWAW-YNEHKIRRSA-N 2 0 226.364 1.364 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)[C@H]1CCCC[NH2+]1 ZINC000333241591 387022424 /nfs/dbraw/zinc/02/24/24/387022424.db2.gz DYVPCAXTRPDTFZ-WRWGMCAJSA-N 2 0 239.363 1.811 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1NCc1nc(C2CC2)cs1 ZINC000333261774 387024587 /nfs/dbraw/zinc/02/45/87/387024587.db2.gz IXUWXOJZIZZTEU-UWVGGRQHSA-N 2 0 237.372 1.990 20 0 BDADRP c1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)no1 ZINC000334980287 387068697 /nfs/dbraw/zinc/06/86/97/387068697.db2.gz MBPJUUKJQFVGAP-NWDGAFQWSA-N 2 0 235.331 1.496 20 0 BDADRP Cc1cc(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)on1 ZINC000334983745 387071814 /nfs/dbraw/zinc/07/18/14/387071814.db2.gz NKVCOHOCKFBTJU-JSGCOSHPSA-N 2 0 249.358 1.947 20 0 BDADRP Cn1cc(CC[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cn1 ZINC000334994101 387083621 /nfs/dbraw/zinc/08/36/21/387083621.db2.gz UACWWXLVRZLMHF-CQSZACIVSA-N 2 0 248.374 1.038 20 0 BDADRP C(C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)[C@@H]1CC[NH2+]C1 ZINC000334994004 387084307 /nfs/dbraw/zinc/08/43/07/387084307.db2.gz REJSFCLWXLZLOX-KBPBESRZSA-N 3 0 237.391 1.062 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000423299961 387131302 /nfs/dbraw/zinc/13/13/02/387131302.db2.gz QOXGNBHIVFQXMO-MGPQQGTHSA-N 2 0 239.407 1.720 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@H]21 ZINC000228538631 387101932 /nfs/dbraw/zinc/10/19/32/387101932.db2.gz GNMZVQZSKOPIIK-REWJHTLYSA-N 2 0 238.375 1.472 20 0 BDADRP CC1(F)CC([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000335007479 387103456 /nfs/dbraw/zinc/10/34/56/387103456.db2.gz OLGADEFZJXKOGZ-MXSCYXCISA-N 2 0 212.312 1.750 20 0 BDADRP C[NH+](C)CCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000020523924 387107933 /nfs/dbraw/zinc/10/79/33/387107933.db2.gz NDXVBZKVEVGYFH-YHWZYXNKSA-N 2 0 225.380 1.153 20 0 BDADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC1(O)CCC1 ZINC000127394212 387115863 /nfs/dbraw/zinc/11/58/63/387115863.db2.gz CBWFVSGOMJLLHQ-STQMWFEESA-N 2 0 240.391 1.802 20 0 BDADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC1(O)CCC1 ZINC000127394706 387116837 /nfs/dbraw/zinc/11/68/37/387116837.db2.gz CBWFVSGOMJLLHQ-QWHCGFSZSA-N 2 0 240.391 1.802 20 0 BDADRP C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)[C@@H]1CCCO1 ZINC000250680896 387120753 /nfs/dbraw/zinc/12/07/53/387120753.db2.gz YIWPBXNRFNDZNT-IGQOVBAYSA-N 2 0 238.375 1.676 20 0 BDADRP C[N@H+](C[C@H]1CCCOC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250402422 387124712 /nfs/dbraw/zinc/12/47/12/387124712.db2.gz MKZGFYPQAFLVNI-HABKJSAYSA-N 2 0 238.375 1.628 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@@H](C)C[C@H](C)[NH3+] ZINC000423298892 387129658 /nfs/dbraw/zinc/12/96/58/387129658.db2.gz PCNITGJSGSHZRP-GARJFASQSA-N 2 0 201.358 1.219 20 0 BDADRP COc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH3+])cc1O ZINC000423299324 387130094 /nfs/dbraw/zinc/13/00/94/387130094.db2.gz BSRDDGKPGVTALE-VHSXEESVSA-N 2 0 238.331 1.646 20 0 BDADRP CC(C)CCOCC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000119539679 387142035 /nfs/dbraw/zinc/14/20/35/387142035.db2.gz ZLPXPYNSUMJCRN-KGLIPLIRSA-N 2 0 242.407 1.979 20 0 BDADRP CC(C)O[C@@H]1C[C@H]([NH2+]CC2C[NH2+]C2)C1(C)C ZINC000423306161 387142106 /nfs/dbraw/zinc/14/21/06/387142106.db2.gz SFURGYDZYVDAGX-NWDGAFQWSA-N 2 0 226.364 1.388 20 0 BDADRP c1ccc(C[C@@H]([NH2+]CC2C[NH2+]C2)C2CC2)cc1 ZINC000423308367 387144545 /nfs/dbraw/zinc/14/45/45/387144545.db2.gz XPUICCNBLXQUSR-OAHLLOKOSA-N 2 0 230.355 1.817 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)C[NH3+])C12CCC2 ZINC000423309218 387145362 /nfs/dbraw/zinc/14/53/62/387145362.db2.gz PWGYTUMMMXUOCA-GRYCIOLGSA-N 2 0 226.364 1.519 20 0 BDADRP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423310951 387148092 /nfs/dbraw/zinc/14/80/92/387148092.db2.gz AZXLSPHWCFMOLL-RWMBFGLXSA-N 2 0 226.364 1.519 20 0 BDADRP COCC1CCC([NH2+]C[C@@H](C)C[NH3+])CC1 ZINC000423314353 387153943 /nfs/dbraw/zinc/15/39/43/387153943.db2.gz YHGYVGGCQFXFBS-UNXYVOJBSA-N 2 0 214.353 1.376 20 0 BDADRP CCC1(CC)[C@H]([NH2+]CCCC[NH3+])C[C@H]1OC ZINC000423315366 387154149 /nfs/dbraw/zinc/15/41/49/387154149.db2.gz ANLSEYNMQQMTPN-VXGBXAGGSA-N 2 0 228.380 1.909 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CCCC[NH3+])[C@@H]2CCC[C@@H]21 ZINC000423316626 387157822 /nfs/dbraw/zinc/15/78/22/387157822.db2.gz BXSRDDYIGZNZHL-AVGNSLFASA-N 3 0 225.380 1.188 20 0 BDADRP COc1ccc(C[C@@H](C)[NH2+]CC2([NH3+])CCC2)cn1 ZINC000423321595 387164349 /nfs/dbraw/zinc/16/43/49/387164349.db2.gz GMXGAAZYMDFPML-LLVKDONJSA-N 2 0 249.358 1.492 20 0 BDADRP CC[C@](C)(O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000229395193 387168603 /nfs/dbraw/zinc/16/86/03/387168603.db2.gz WSQIXEOSQQLNLT-MJBXVCDLSA-N 2 0 240.391 1.564 20 0 BDADRP c1cncc([C@@H]2CCC[C@@H]([NH2+]CC3C[NH2+]C3)C2)c1 ZINC000423329522 387172528 /nfs/dbraw/zinc/17/25/28/387172528.db2.gz SXHGYTQJYIAEID-UKRRQHHQSA-N 2 0 245.370 1.917 20 0 BDADRP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)C1CCSCC1 ZINC000423330176 387176813 /nfs/dbraw/zinc/17/68/13/387176813.db2.gz UAHZEZAGADNFQS-JOYOIKCWSA-N 2 0 228.405 1.845 20 0 BDADRP C[N@H+](CCC1CC[NH2+]CC1)[C@H](CN)C1CC1 ZINC000359876331 387181891 /nfs/dbraw/zinc/18/18/91/387181891.db2.gz LGDWGLJRYLPYHG-CYBMUJFWSA-N 2 0 225.380 1.045 20 0 BDADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cnn(C)c1 ZINC000423335384 387182687 /nfs/dbraw/zinc/18/26/87/387182687.db2.gz RTIMOKDXAXCQCA-NSHDSACASA-N 2 0 236.363 1.460 20 0 BDADRP CC1(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])CC[NH2+]CC1 ZINC000423337829 387186105 /nfs/dbraw/zinc/18/61/05/387186105.db2.gz UEAXUOPGEDXRJP-STQMWFEESA-N 3 0 239.407 1.483 20 0 BDADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccn(C)n1 ZINC000423337227 387186679 /nfs/dbraw/zinc/18/66/79/387186679.db2.gz UASFAICDIYKHEI-LLVKDONJSA-N 2 0 236.363 1.460 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2=CC[NH2+]CC2)[C@@H](C)O1 ZINC000423340002 387188881 /nfs/dbraw/zinc/18/88/81/387188881.db2.gz BTNNHBZUJAWFRE-CKYFFXLPSA-N 2 0 210.321 1.062 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423341756 387189870 /nfs/dbraw/zinc/18/98/70/387189870.db2.gz MUUSXMWUHDPBOG-STQMWFEESA-N 3 0 227.396 1.483 20 0 BDADRP COc1ccc([C@@H](C)[NH2+]CCCC[NH3+])cc1O ZINC000423341909 387190774 /nfs/dbraw/zinc/19/07/74/387190774.db2.gz YENXJKIKRJGAAH-SNVBAGLBSA-N 2 0 238.331 1.790 20 0 BDADRP COC[C@@H](CC(C)C)[NH2+]CC1=CC[NH2+]CC1 ZINC000423340414 387191108 /nfs/dbraw/zinc/19/11/08/387191108.db2.gz JOUOEMYQKQVEIN-CYBMUJFWSA-N 2 0 226.364 1.557 20 0 BDADRP CC(C)O[C@@H]1C[C@H]([NH2+]CCCC[NH3+])C1(C)C ZINC000423342516 387191977 /nfs/dbraw/zinc/19/19/77/387191977.db2.gz YWGULACBSNGXTA-NWDGAFQWSA-N 2 0 228.380 1.907 20 0 BDADRP COC[C@H]([NH2+]C[C@H](C)C[NH3+])C1CCCC1 ZINC000423301399 387133343 /nfs/dbraw/zinc/13/33/43/387133343.db2.gz FZHWYVDRBGPMNB-PWSUYJOCSA-N 2 0 214.353 1.376 20 0 BDADRP Cc1ncc([C@@H](C)[NH2+]C[C@@H](C)C[NH3+])c(C)n1 ZINC000423303198 387138182 /nfs/dbraw/zinc/13/81/82/387138182.db2.gz WSGLFEJJXBIHIX-DTWKUNHWSA-N 2 0 222.336 1.339 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000336312085 387140464 /nfs/dbraw/zinc/14/04/64/387140464.db2.gz AEAHWMFGYUHQQB-NWDGAFQWSA-N 3 0 225.380 1.045 20 0 BDADRP C(C[C@H]1CCC[NH2+]1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000423355432 387205807 /nfs/dbraw/zinc/20/58/07/387205807.db2.gz FLGVDRNFKQILJC-MCIONIFRSA-N 2 0 237.391 1.345 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CC2=CC[NH2+]CC2)[C@H]2CCC[C@@H]21 ZINC000423355239 387205887 /nfs/dbraw/zinc/20/58/87/387205887.db2.gz OSCOZKKZHSHQAL-ILXRZTDVSA-N 3 0 249.402 1.369 20 0 BDADRP CC[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)[C@H]1CCOC1 ZINC000423355069 387206142 /nfs/dbraw/zinc/20/61/42/387206142.db2.gz DUBSOVBEYQFQJE-XQQFMLRXSA-N 2 0 226.364 1.533 20 0 BDADRP CCC(C)(C)[C@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000643496278 387206633 /nfs/dbraw/zinc/20/66/33/387206633.db2.gz MAXRDWUYAPXLTF-ZDUSSCGKSA-N 2 0 241.423 1.696 20 0 BDADRP CC[N@@H+]1C[C@H](C)[C@H](NCC[C@H]2CCC[NH2+]2)C1 ZINC000423356314 387208204 /nfs/dbraw/zinc/20/82/04/387208204.db2.gz GMTFSATUTVKATG-YNEHKIRRSA-N 2 0 225.380 1.058 20 0 BDADRP CO[C@H](C)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000336379558 387209057 /nfs/dbraw/zinc/20/90/57/387209057.db2.gz ULASZLQHLOSEJB-CHWSQXEVSA-N 2 0 226.364 1.439 20 0 BDADRP C[C@@H](N[C@H]1CC[NH2+]C[C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000423361758 387212716 /nfs/dbraw/zinc/21/27/16/387212716.db2.gz APCXISZEXJSPGI-FVCCEPFGSA-N 2 0 225.380 1.105 20 0 BDADRP COC[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)C(C)C ZINC000423366260 387218209 /nfs/dbraw/zinc/21/82/09/387218209.db2.gz QBXNNNMPSMITFE-NEPJUHHUSA-N 2 0 214.353 1.389 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000423365927 387219232 /nfs/dbraw/zinc/21/92/32/387219232.db2.gz CFFKMOJDJLFMHK-BYNQJWBRSA-N 2 0 237.391 1.199 20 0 BDADRP C[C@H]([NH2+]CCC[NH3+])c1ccc2[nH]c(=O)oc2c1 ZINC000643496755 387219494 /nfs/dbraw/zinc/21/94/94/387219494.db2.gz BGBNUPOUOVMUNR-QMMMGPOBSA-N 2 0 235.287 1.533 20 0 BDADRP CCn1cc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000423365441 387219495 /nfs/dbraw/zinc/21/94/95/387219495.db2.gz BHIRFJPQLXNSPL-DRZSPHRISA-N 2 0 236.363 1.824 20 0 BDADRP COC[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000423368494 387220952 /nfs/dbraw/zinc/22/09/52/387220952.db2.gz RYRNJFOHLDFXDM-KGLIPLIRSA-N 2 0 240.391 1.923 20 0 BDADRP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C1(C)C ZINC000423370965 387224267 /nfs/dbraw/zinc/22/42/67/387224267.db2.gz GEDGWHPSLMONSC-QNWJLWSRSA-N 2 0 240.391 1.905 20 0 BDADRP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000423373024 387227332 /nfs/dbraw/zinc/22/73/32/387227332.db2.gz GTJUDIQJZVEHCS-XUXIUFHCSA-N 2 0 240.391 1.922 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+][C@H](C)C2)C1(C)C ZINC000423404703 387241826 /nfs/dbraw/zinc/24/18/26/387241826.db2.gz ZDVIENGSRPJOJZ-MROQNXINSA-N 2 0 240.391 1.920 20 0 BDADRP C[C@H](Cc1ccoc1)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000423405834 387243775 /nfs/dbraw/zinc/24/37/75/387243775.db2.gz UBKXGZYHJRTWRO-NQBHXWOUSA-N 2 0 222.332 1.798 20 0 BDADRP COC[C@]1(C[NH2+][C@@H]2CCC23CCC3)CCC[NH2+]1 ZINC000423408453 387243905 /nfs/dbraw/zinc/24/39/05/387243905.db2.gz AKJQXTXKVVIYQO-TZMCWYRMSA-N 2 0 238.375 1.677 20 0 BDADRP COCC1(C[NH2+][C@H](C)[C@@H]2C[C@H]2C)CC[NH2+]CC1 ZINC000423413358 387245508 /nfs/dbraw/zinc/24/55/08/387245508.db2.gz YZRCIUDGBKBQTO-JHJVBQTASA-N 2 0 240.391 1.637 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1O)C1CCCCC1 ZINC000423412101 387246019 /nfs/dbraw/zinc/24/60/19/387246019.db2.gz WCVHXMVNVNZEME-MELADBBJSA-N 2 0 240.391 1.515 20 0 BDADRP CC[C@@H]([NH2+]CC1(COC)CC[NH2+]CC1)C1CC1 ZINC000423411655 387246175 /nfs/dbraw/zinc/24/61/75/387246175.db2.gz VADVFWPRQWXQSE-CYBMUJFWSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000423410321 387247106 /nfs/dbraw/zinc/24/71/06/387247106.db2.gz ZZEFKECNULSFNL-IKOXMDCHSA-N 2 0 239.407 1.303 20 0 BDADRP COC[C@]1(C[NH2+][C@H](C)C2(C)CC2)CCC[NH2+]1 ZINC000423416994 387248827 /nfs/dbraw/zinc/24/88/27/387248827.db2.gz GDOQBEMXTIUTRR-DGCLKSJQSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cn[nH]c1 ZINC000353645632 387248986 /nfs/dbraw/zinc/24/89/86/387248986.db2.gz PFQDWNMQZORZRB-PKSQDBQZSA-N 2 0 236.363 1.933 20 0 BDADRP CC[C@@H](C)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000120485753 387250073 /nfs/dbraw/zinc/25/00/73/387250073.db2.gz WKCBODQILZNXLW-CQSZACIVSA-N 2 0 241.423 1.602 20 0 BDADRP CC[C@@H](NC[C@@]1(C)CCC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423345504 387195544 /nfs/dbraw/zinc/19/55/44/387195544.db2.gz OZPMSWCZVWOHMF-RDBSUJKOSA-N 2 0 239.407 1.496 20 0 BDADRP COCC[C@@H]1CCC[C@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000423345842 387195855 /nfs/dbraw/zinc/19/58/55/387195855.db2.gz GGDHSZWDSXLFFU-UONOGXRCSA-N 2 0 238.375 1.701 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423348894 387200075 /nfs/dbraw/zinc/20/00/75/387200075.db2.gz UTLYSCZYOSXTEX-RDBSUJKOSA-N 3 0 239.407 1.354 20 0 BDADRP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@H]([NH3+])CC ZINC000423462164 387311156 /nfs/dbraw/zinc/31/11/56/387311156.db2.gz KNDYISUNLRDYCG-QJPTWQEYSA-N 2 0 214.353 1.519 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@H]1C ZINC000423464444 387312635 /nfs/dbraw/zinc/31/26/35/387312635.db2.gz LZUFGLWQBXLJDE-WISYIIOYSA-N 2 0 242.363 1.291 20 0 BDADRP CC1(C)CCC[NH2+][C@@H]1CN[C@H]1CCC[C@H]1[NH3+] ZINC000423376512 387258139 /nfs/dbraw/zinc/25/81/39/387258139.db2.gz DTMKQEFNNYXEHD-GRYCIOLGSA-N 2 0 225.380 1.234 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)CC[NH2+]1 ZINC000423380294 387262690 /nfs/dbraw/zinc/26/26/90/387262690.db2.gz NSFVDOAVBVENSK-DHGKCCLASA-N 3 0 239.407 1.445 20 0 BDADRP C[C@@H](C[NH3+])N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423383184 387266505 /nfs/dbraw/zinc/26/65/05/387266505.db2.gz DVBWSCHKIBVOKH-AXTRIDKLSA-N 2 0 205.305 1.068 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000423468922 387317624 /nfs/dbraw/zinc/31/76/24/387317624.db2.gz JYMYRUJHCYLQBA-YIYPIFLZSA-N 2 0 239.407 1.576 20 0 BDADRP Cc1n[nH]c(C)c1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000514726408 387279643 /nfs/dbraw/zinc/27/96/43/387279643.db2.gz RFYYVKRQTKLCHK-YUMQZZPRSA-N 2 0 210.325 1.242 20 0 BDADRP Cc1n[nH]c(C)c1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000514726406 387280119 /nfs/dbraw/zinc/28/01/19/387280119.db2.gz RFYYVKRQTKLCHK-JGVFFNPUSA-N 2 0 210.325 1.242 20 0 BDADRP C[C@H]1COCC[C@@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423430342 387281732 /nfs/dbraw/zinc/28/17/32/387281732.db2.gz UDNJFZQVDDNGEV-XUXIUFHCSA-N 2 0 240.391 1.766 20 0 BDADRP CC[NH2+]CCC[NH2+][C@@H](C)CCCOC ZINC000572234312 387283107 /nfs/dbraw/zinc/28/31/07/387283107.db2.gz REWJUYJOBBSJJB-NSHDSACASA-N 2 0 202.342 1.391 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)[C@H](C)O1 ZINC000423431883 387284095 /nfs/dbraw/zinc/28/40/95/387284095.db2.gz MBIDWPAYECSFFK-NGKICAJHSA-N 2 0 238.375 1.530 20 0 BDADRP COc1cc(C[NH2+][C@@H]2CCC[NH2+]CC2)ccn1 ZINC000162229244 387284991 /nfs/dbraw/zinc/28/49/91/387284991.db2.gz HGPGYDRJALRPKF-GFCCVEGCSA-N 2 0 235.331 1.322 20 0 BDADRP CO[C@@H](C)[C@@H](C)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423436020 387286145 /nfs/dbraw/zinc/28/61/45/387286145.db2.gz ZESVAJKCBDQONI-YVECIDJPSA-N 2 0 228.380 1.765 20 0 BDADRP [NH3+]CC1CCC([NH2+]Cc2ccccc2CO)CC1 ZINC000514824921 387289639 /nfs/dbraw/zinc/28/96/39/387289639.db2.gz FTRBLEBVSUPLPK-UHFFFAOYSA-N 2 0 248.370 1.786 20 0 BDADRP C1CC([C@@H]2CC[C@@H]2[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000423441410 387290717 /nfs/dbraw/zinc/29/07/17/387290717.db2.gz YNDCKTUWZDAIST-IEECTRCBSA-N 2 0 206.333 1.373 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H](Cc1ccccc1)[C@H](C)N ZINC000423444587 387294744 /nfs/dbraw/zinc/29/47/44/387294744.db2.gz BCFKNXMMTDFWMJ-VNHYZAJKSA-N 2 0 249.402 1.662 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C1CCC([NH+](C)C)CC1 ZINC000423446363 387294815 /nfs/dbraw/zinc/29/48/15/387294815.db2.gz YQOMFTDGRUKVTR-HSBZDZAISA-N 3 0 241.423 1.966 20 0 BDADRP CC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1cnn(C)c1 ZINC000423445121 387294840 /nfs/dbraw/zinc/29/48/40/387294840.db2.gz XMIVCQDPLWZDFK-WCQYABFASA-N 2 0 238.379 1.978 20 0 BDADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423446716 387295097 /nfs/dbraw/zinc/29/50/97/387295097.db2.gz YXZXUQVIUMOZTD-CEVLRCNZSA-N 2 0 228.339 1.727 20 0 BDADRP CC(C)[C@@H](Cn1cccn1)[NH2+][C@@H](C)CCC[NH3+] ZINC000423444518 387295532 /nfs/dbraw/zinc/29/55/32/387295532.db2.gz AZNJAEAHHRGZFZ-QWHCGFSZSA-N 2 0 238.379 1.625 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)C[C@H]1CCOC1 ZINC000643461991 387295891 /nfs/dbraw/zinc/29/58/91/387295891.db2.gz JDTGSRHOVCYKJJ-FRRDWIJNSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423450050 387299511 /nfs/dbraw/zinc/29/95/11/387299511.db2.gz HCIYYMJDEQVWHE-SRVKXCTJSA-N 2 0 213.369 1.234 20 0 BDADRP C[C@H]1CC(C)(C)C[C@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423459170 387305948 /nfs/dbraw/zinc/30/59/48/387305948.db2.gz RHVKVTRJNFZEKG-PREPNJAASA-N 2 0 208.349 1.619 20 0 BDADRP CC[C@@H]([NH2+][C@@H](C)CCC[NH3+])[C@@H]1CCC[NH2+]1 ZINC000423457737 387307313 /nfs/dbraw/zinc/30/73/13/387307313.db2.gz PKBBMXGPQYMJQW-TUAOUCFPSA-N 3 0 213.369 1.234 20 0 BDADRP CC[N@@H+]1C[C@@H](C)[C@@H](NCCC[NH2+]C2CC2)C1 ZINC000423523334 387355110 /nfs/dbraw/zinc/35/51/10/387355110.db2.gz IFZIYQWFGMNSIW-YPMHNXCESA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCC2=CC[NH2+]CC2)[C@@H](C)O1 ZINC000423534769 387360869 /nfs/dbraw/zinc/36/08/69/387360869.db2.gz AVXGDXLGSCDDBF-NQBHXWOUSA-N 2 0 224.348 1.452 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1cn[nH]c1 ZINC000423481011 387361447 /nfs/dbraw/zinc/36/14/47/387361447.db2.gz WMQFVBKOEJZCHH-UMNHJUIQSA-N 2 0 222.336 1.578 20 0 BDADRP COc1ccc(C[C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])cn1 ZINC000423481126 387363364 /nfs/dbraw/zinc/36/33/64/387363364.db2.gz WQVYIZFFXFRLFU-DCAQKATOSA-N 2 0 237.347 1.347 20 0 BDADRP CC[N@H+](CCN[C@@H]1CC[NH+](C)[C@@H](C)C1)C(C)C ZINC000360928517 387368022 /nfs/dbraw/zinc/36/80/22/387368022.db2.gz BMGOUZFZERTTDL-UONOGXRCSA-N 2 0 241.423 1.789 20 0 BDADRP CC[N@H+](CCN[C@H]1CC[NH+](C)[C@@H](C)C1)C(C)C ZINC000360928516 387368092 /nfs/dbraw/zinc/36/80/92/387368092.db2.gz BMGOUZFZERTTDL-KBPBESRZSA-N 2 0 241.423 1.789 20 0 BDADRP CC[N@H+]1C[C@H](N[C@H]2CCCC[NH2+]C2)[C@@H](C)C1 ZINC000423542906 387368405 /nfs/dbraw/zinc/36/84/05/387368405.db2.gz BKUZAMIDBJSDFE-AVGNSLFASA-N 2 0 225.380 1.058 20 0 BDADRP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)[C@@H]1CCCOC1 ZINC000423545901 387371450 /nfs/dbraw/zinc/37/14/50/387371450.db2.gz FBDJXRCPCQDNRX-XQQFMLRXSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CC12CCSCC2)C1C[NH2+]C1 ZINC000423554003 387373901 /nfs/dbraw/zinc/37/39/01/387373901.db2.gz RFFWEWZPDIETAS-CMPLNLGQSA-N 2 0 240.416 1.717 20 0 BDADRP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000423473722 387319993 /nfs/dbraw/zinc/31/99/93/387319993.db2.gz QVBPTCHPWVEGNX-USZNOCQGSA-N 2 0 214.353 1.517 20 0 BDADRP CC[C@@H](N[C@H]1C[NH2+]CCC1(F)F)[C@@H]1CCC[NH2+]1 ZINC000423475395 387322049 /nfs/dbraw/zinc/32/20/49/387322049.db2.gz HWJPTOUECIOJGG-VWYCJHECSA-N 2 0 247.333 1.104 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423476736 387323603 /nfs/dbraw/zinc/32/36/03/387323603.db2.gz RDMLHFQCLZRNHB-JHJVBQTASA-N 3 0 227.396 1.611 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1cnccc1N ZINC000423483734 387328281 /nfs/dbraw/zinc/32/82/81/387328281.db2.gz ZBRUESCJTNAFEQ-SDDRHHMPSA-N 2 0 248.374 1.662 20 0 BDADRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)C1CCOCC1 ZINC000423482647 387329777 /nfs/dbraw/zinc/32/97/77/387329777.db2.gz PMAYRTZURAADAI-OCCSQVGLSA-N 2 0 240.391 1.923 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)[C@@H]1C[C@@H]1C ZINC000423492299 387335154 /nfs/dbraw/zinc/33/51/54/387335154.db2.gz MLYFXYBPHQRXFB-RVMXOQNASA-N 2 0 226.364 1.389 20 0 BDADRP C[C@H](Cc1ccoc1)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423491612 387336415 /nfs/dbraw/zinc/33/64/15/387336415.db2.gz JYIICMFRDCINSB-DGCLKSJQSA-N 2 0 238.331 1.179 20 0 BDADRP CC[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1cnn(C)c1 ZINC000423491822 387336485 /nfs/dbraw/zinc/33/64/85/387336485.db2.gz KLHXIISJAQPDCN-WXHSDQCUSA-N 2 0 236.363 1.588 20 0 BDADRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cnn(C)c1 ZINC000423491020 387336830 /nfs/dbraw/zinc/33/68/30/387336830.db2.gz YPFNBQFYOKNKIR-YPMHNXCESA-N 2 0 236.363 1.603 20 0 BDADRP C[C@H](Cc1ccoc1)[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000423503262 387342818 /nfs/dbraw/zinc/34/28/18/387342818.db2.gz KHZYNQFTXOUUFD-WZRBSPASSA-N 2 0 222.332 1.928 20 0 BDADRP CCOCCCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000165078830 387345898 /nfs/dbraw/zinc/34/58/98/387345898.db2.gz ZJGJTPSZNOQPEQ-OLZOCXBDSA-N 2 0 228.380 1.875 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)[C@@H](C)O1 ZINC000423515634 387350355 /nfs/dbraw/zinc/35/03/55/387350355.db2.gz SRLMULUHGCCMFQ-OOCWMUITSA-N 2 0 212.337 1.269 20 0 BDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)CC[C@@H](C)[NH3+] ZINC000423779898 387424494 /nfs/dbraw/zinc/42/44/94/387424494.db2.gz VZOMHUSAENNMKC-NEPJUHHUSA-N 2 0 243.395 1.350 20 0 BDADRP Cn1cncc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000336605001 387448675 /nfs/dbraw/zinc/44/86/75/387448675.db2.gz ZCTIOYQCVYJADK-ZDUSSCGKSA-N 2 0 248.374 1.242 20 0 BDADRP CC[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000037825060 387449397 /nfs/dbraw/zinc/44/93/97/387449397.db2.gz DIIOFCRXCVDYJN-GFCCVEGCSA-N 2 0 241.379 1.057 20 0 BDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC1CC1 ZINC000374423762 387452708 /nfs/dbraw/zinc/45/27/08/387452708.db2.gz XOHXCENTOHZEIR-MGPQQGTHSA-N 2 0 238.375 1.580 20 0 BDADRP Nc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000336562049 387389669 /nfs/dbraw/zinc/38/96/69/387389669.db2.gz XJYYLGADNWCFJI-QWHCGFSZSA-N 2 0 231.343 1.310 20 0 BDADRP CC[C@@H]([NH3+])CNC(=O)c1ccccc1C[NH+](C)C ZINC000423684308 387397451 /nfs/dbraw/zinc/39/74/51/387397451.db2.gz RFYBYXDUMCFLOC-GFCCVEGCSA-N 2 0 249.358 1.215 20 0 BDADRP CC[C@@H](C)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000304631511 387497614 /nfs/dbraw/zinc/49/76/14/387497614.db2.gz VNLNKVRYLZYWCN-OLZOCXBDSA-N 2 0 225.380 1.012 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC000643475330 387509550 /nfs/dbraw/zinc/50/95/50/387509550.db2.gz GYDFGGUQEKTDFE-NWDGAFQWSA-N 2 0 212.337 1.286 20 0 BDADRP C[NH+]1CCC(CC[NH2+]Cc2ccccn2)CC1 ZINC000105454783 387524453 /nfs/dbraw/zinc/52/44/53/387524453.db2.gz VOZRQUZHFFHWFP-UHFFFAOYSA-N 2 0 233.359 1.903 20 0 BDADRP C[C@H]([NH2+]CCNC1CC1)C1CC[NH+](C)CC1 ZINC000643506042 387466531 /nfs/dbraw/zinc/46/65/31/387466531.db2.gz IWHRHUKRWNBGSU-NSHDSACASA-N 2 0 225.380 1.058 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCC1(CO)CC1 ZINC000395838606 387478113 /nfs/dbraw/zinc/47/81/13/387478113.db2.gz MHIFUFDTMUXGID-VXGBXAGGSA-N 2 0 226.364 1.256 20 0 BDADRP CCC[C@H](C)C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000397109271 387542253 /nfs/dbraw/zinc/54/22/53/387542253.db2.gz PVIIJZPZADMNET-NSHDSACASA-N 2 0 214.353 1.208 20 0 BDADRP C(C[NH2+]C1CC1)N[C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000643508264 387481691 /nfs/dbraw/zinc/48/16/91/387481691.db2.gz YXMNNTCNASUPQC-RDBSUJKOSA-N 2 0 237.391 1.249 20 0 BDADRP COC1(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)CCCC1 ZINC000361550219 387485009 /nfs/dbraw/zinc/48/50/09/387485009.db2.gz QQWIEXYQYILPEI-CYBMUJFWSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@H](Cc1ccoc1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643473923 387487782 /nfs/dbraw/zinc/48/77/82/387487782.db2.gz QUSSADBSLSUSRZ-YPMHNXCESA-N 2 0 222.332 1.942 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CSC1(C)C ZINC000393834523 259713852 /nfs/dbraw/zinc/71/38/52/259713852.db2.gz MOANJBMOKYQUCC-VHSXEESVSA-N 2 0 232.393 1.224 20 0 BDADRP C[C@H]([NH2+]Cc1cccc(N(C)C)c1)C1C[NH2+]C1 ZINC000422715833 387628274 /nfs/dbraw/zinc/62/82/74/387628274.db2.gz MTXUYQLZANFFSA-NSHDSACASA-N 2 0 233.359 1.450 20 0 BDADRP CC[C@H](NCC[N@H+](C)CC)[C@@H]1CCCC[NH2+]1 ZINC000422717007 387628584 /nfs/dbraw/zinc/62/85/84/387628584.db2.gz NXEXZOUMPJPEIV-STQMWFEESA-N 2 0 227.396 1.448 20 0 BDADRP C[C@@H](CC(N)=O)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000122721837 387593252 /nfs/dbraw/zinc/59/32/52/387593252.db2.gz DBJYRWHUPMYSPO-NWDGAFQWSA-N 2 0 241.379 1.104 20 0 BDADRP CC(C)(CC[NH3+])NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000422536606 387595639 /nfs/dbraw/zinc/59/56/39/387595639.db2.gz FVBWYYAOLDEJMD-GFCCVEGCSA-N 2 0 249.358 1.320 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CCC2(CC[NH2+]2)CC1 ZINC000422559416 387600810 /nfs/dbraw/zinc/60/08/10/387600810.db2.gz CTXFMHLUVZYTAI-GFCCVEGCSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@H]1C[C@@H](C)[N@H+](CC2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000422560696 387602818 /nfs/dbraw/zinc/60/28/18/387602818.db2.gz HPJZAZIKPIZKGK-YRGRVCCFSA-N 3 0 239.407 1.291 20 0 BDADRP CC[C@@H](NC[C@H]1CC[N@H+](CC)C1)[C@@H]1CCC[NH2+]1 ZINC000422695384 387612576 /nfs/dbraw/zinc/61/25/76/387612576.db2.gz PUDCUKLMWQUWEI-MCIONIFRSA-N 2 0 239.407 1.448 20 0 BDADRP CC[N@@H+]1CC[C@@H](CN[C@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000422695584 387612666 /nfs/dbraw/zinc/61/26/66/387612666.db2.gz QAVVDMFQRATZKP-HZSPNIEDSA-N 2 0 239.407 1.448 20 0 BDADRP CC(C)[NH+](CCN[C@H](C)[C@H]1CCC[NH2+]1)C(C)C ZINC000400755843 387613623 /nfs/dbraw/zinc/61/36/23/387613623.db2.gz WZBKGOKMCWSERZ-ZIAGYGMSSA-N 2 0 241.423 1.835 20 0 BDADRP CC[C@H](C)[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422705182 387620669 /nfs/dbraw/zinc/62/06/69/387620669.db2.gz BIIGEBPYAYSDGL-UVYIHGJDSA-N 2 0 226.364 1.266 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCCCNc1ccccn1 ZINC000422704249 387620983 /nfs/dbraw/zinc/62/09/83/387620983.db2.gz OZZPOEJSKHEGES-STQMWFEESA-N 2 0 248.374 1.743 20 0 BDADRP C[C@@H]([NH2+]CCO[C@H]1CCCC[C@H]1C)C1C[NH2+]C1 ZINC000422706156 387621657 /nfs/dbraw/zinc/62/16/57/387621657.db2.gz DRWIXTBMJHJEPP-BZPMIXESSA-N 2 0 240.391 1.779 20 0 BDADRP CCOCCCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422710150 387622820 /nfs/dbraw/zinc/62/28/20/387622820.db2.gz DZLAHJYRDDZLMH-UHFFFAOYSA-N 2 0 228.380 1.910 20 0 BDADRP C1CC2(C1)[NH2+]CC[C@@H]2[NH2+][C@@H]1CCCOCC1 ZINC000527533397 387625654 /nfs/dbraw/zinc/62/56/54/387625654.db2.gz VGVAGWOPLSRZCS-NEPJUHHUSA-N 2 0 224.348 1.430 20 0 BDADRP CC[N@H+](CCC[NH3+])Cc1ccc(OC)cc1 ZINC000036731781 387555999 /nfs/dbraw/zinc/55/59/99/387555999.db2.gz VJIJBXKMEDWHNU-UHFFFAOYSA-N 2 0 222.332 1.866 20 0 BDADRP CC(C)[C@@](C)(C[NH3+])NCc1cccc(C(N)=O)c1 ZINC000430590820 387630535 /nfs/dbraw/zinc/63/05/35/387630535.db2.gz MASMVCCFEWQBHL-CQSZACIVSA-N 2 0 249.358 1.249 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000422717062 387630917 /nfs/dbraw/zinc/63/09/17/387630917.db2.gz OCSLUVQBDHYDED-XQQFMLRXSA-N 2 0 226.364 1.663 20 0 BDADRP CC(C)OCCC[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430578846 387631716 /nfs/dbraw/zinc/63/17/16/387631716.db2.gz BNWJDQBJGXJZDU-OLZOCXBDSA-N 2 0 228.380 1.861 20 0 BDADRP CC[N@H+](C)CCN[C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422722523 387632301 /nfs/dbraw/zinc/63/23/01/387632301.db2.gz YGAKNUAGHYIKAT-UKRRQHHQSA-N 2 0 249.402 1.486 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC[C@H](C)C[NH+]1CCCCC1 ZINC000422719502 387632504 /nfs/dbraw/zinc/63/25/04/387632504.db2.gz YHEVJRFIKYWPMB-IHRRRGAJSA-N 2 0 241.423 1.824 20 0 BDADRP Cc1nccn1CCC[NH2+][C@@H](C)CCCC[NH3+] ZINC000422722871 387632996 /nfs/dbraw/zinc/63/29/96/387632996.db2.gz PXMCNUYBIRTBHS-LBPRGKRZSA-N 2 0 238.379 1.689 20 0 BDADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C1CC1 ZINC000422726319 387636259 /nfs/dbraw/zinc/63/62/59/387636259.db2.gz DOCAHCWLULISJH-GXFFZTMASA-N 2 0 204.317 1.697 20 0 BDADRP COCCC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422728056 387636366 /nfs/dbraw/zinc/63/63/66/387636366.db2.gz DWWZNNKVSAEFDO-MNOVXSKESA-N 2 0 200.326 1.001 20 0 BDADRP CCOCCCC[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422725655 387636451 /nfs/dbraw/zinc/63/64/51/387636451.db2.gz YISKHHNTMZDFRY-STQMWFEESA-N 2 0 228.380 1.923 20 0 BDADRP C[C@H]([NH2+]Cc1ccc(F)cc1)C1C[NH2+]C1 ZINC000422728803 387639200 /nfs/dbraw/zinc/63/92/00/387639200.db2.gz JOAHUPWYPIEUOS-VIFPVBQESA-N 2 0 208.280 1.523 20 0 BDADRP CO[C@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422793530 387694968 /nfs/dbraw/zinc/69/49/68/387694968.db2.gz SHZZSMKNWQBLIN-AEBFUODCSA-N 2 0 238.375 1.817 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCc1ccccn1 ZINC000422731850 387640576 /nfs/dbraw/zinc/64/05/76/387640576.db2.gz MSAIWRNGRAWMTM-KGLIPLIRSA-N 2 0 233.359 1.874 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)Cc1ccccc1 ZINC000422736240 387643402 /nfs/dbraw/zinc/64/34/02/387643402.db2.gz FZZJUDFXOWLTGS-ZNMIVQPWSA-N 2 0 248.370 1.307 20 0 BDADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)CCC[NH3+])C1 ZINC000422737097 387645704 /nfs/dbraw/zinc/64/57/04/387645704.db2.gz HLRDPLWHMAPJMI-KBPBESRZSA-N 3 0 241.423 1.824 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CCCO1 ZINC000422741929 387648274 /nfs/dbraw/zinc/64/82/74/387648274.db2.gz FQVQUWJJORXZPC-TUAOUCFPSA-N 2 0 212.337 1.415 20 0 BDADRP C[C@H]([NH3+])CC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000430775666 387649967 /nfs/dbraw/zinc/64/99/67/387649967.db2.gz HLWKVSJORBCAGC-NWDGAFQWSA-N 2 0 241.379 1.057 20 0 BDADRP C[C@@H]([NH2+]CCc1ccccc1)C1C[NH2+]C1 ZINC000422749015 387653524 /nfs/dbraw/zinc/65/35/24/387653524.db2.gz XAYQEARNGCFLID-LLVKDONJSA-N 2 0 204.317 1.427 20 0 BDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H](C)[NH3+])C[C@H]1C ZINC000430803187 387654647 /nfs/dbraw/zinc/65/46/47/387654647.db2.gz RAKLQKVZCPBHIB-UTUOFQBUSA-N 2 0 241.379 1.055 20 0 BDADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(C)(C)[NH3+] ZINC000430895379 387659627 /nfs/dbraw/zinc/65/96/27/387659627.db2.gz UFVIMEKOAJSPDC-PHIMTYICSA-N 2 0 241.379 1.103 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1NCC[NH+]1CCCC1 ZINC000422767780 387668107 /nfs/dbraw/zinc/66/81/07/387668107.db2.gz ROCLQIZQQOQHLI-QWHCGFSZSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H](O)CC(C)(C)C ZINC000422767025 387669043 /nfs/dbraw/zinc/66/90/43/387669043.db2.gz SAKJUFDZGRJVDL-JHJVBQTASA-N 2 0 242.407 1.761 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CCn1cnc2ccccc21 ZINC000422772499 387670421 /nfs/dbraw/zinc/67/04/21/387670421.db2.gz ZDZDDHHNAPRDTM-GFCCVEGCSA-N 2 0 246.358 1.753 20 0 BDADRP CC[C@H]([NH2+]CCCC[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000422775989 387671919 /nfs/dbraw/zinc/67/19/19/387671919.db2.gz CUDGHMRMVAZTCT-STQMWFEESA-N 3 0 227.396 1.448 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)CCC[NH3+])N1CCC(C)CC1 ZINC000422775137 387672841 /nfs/dbraw/zinc/67/28/41/387672841.db2.gz AHBQMVDVXMQSKK-UONOGXRCSA-N 2 0 241.423 1.824 20 0 BDADRP C[C@H](CN[C@@H](C)C1C[NH2+]C1)[NH+]1CCC(C)CC1 ZINC000422778134 387675316 /nfs/dbraw/zinc/67/53/16/387675316.db2.gz HHOKMELXBBZBNV-OLZOCXBDSA-N 2 0 239.407 1.304 20 0 BDADRP CC[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422792818 387696118 /nfs/dbraw/zinc/69/61/18/387696118.db2.gz ZMXSERPYVLNFRL-MQYQWHSLSA-N 2 0 239.407 1.589 20 0 BDADRP C[C@@H](NCCC[NH+]1CCCCC1)C1C[NH2+]C1 ZINC000422777308 387675899 /nfs/dbraw/zinc/67/58/99/387675899.db2.gz CBBDVLSZQIJDSZ-GFCCVEGCSA-N 2 0 225.380 1.060 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH2+]CC2)C12CCC2 ZINC000422779439 387677139 /nfs/dbraw/zinc/67/71/39/387677139.db2.gz ISXZPFKVGDOLKA-OLZOCXBDSA-N 2 0 238.375 1.676 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000422780236 387678803 /nfs/dbraw/zinc/67/88/03/387678803.db2.gz JFHOHHWVJGYWCT-IHRRRGAJSA-N 2 0 241.423 1.822 20 0 BDADRP CC(C)[C@H](O)CC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000422780922 387680068 /nfs/dbraw/zinc/68/00/68/387680068.db2.gz KZCATSBKKSOJKA-YNEHKIRRSA-N 2 0 228.380 1.501 20 0 BDADRP CC(C)CCOCC[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422782417 387680209 /nfs/dbraw/zinc/68/02/09/387680209.db2.gz MWYFTKKWTQUIGF-VXGBXAGGSA-N 2 0 214.353 1.519 20 0 BDADRP CC[NH2+]CCNC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000422781736 387680843 /nfs/dbraw/zinc/68/08/43/387680843.db2.gz IZPFVDUTUMGWBV-GFCCVEGCSA-N 2 0 241.379 1.010 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422781893 387681005 /nfs/dbraw/zinc/68/10/05/387681005.db2.gz LHKIVIRIAAVLBQ-OLZOCXBDSA-N 3 0 227.396 1.578 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCCOCC1CC1 ZINC000422782944 387681388 /nfs/dbraw/zinc/68/13/88/387681388.db2.gz KHESJBUCDZRDHE-QWRGUYRKSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@@H](CC[NH+](C)C)N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422782439 387681416 /nfs/dbraw/zinc/68/14/16/387681416.db2.gz MYVDPHLNIOTCHM-SRVKXCTJSA-N 2 0 213.369 1.057 20 0 BDADRP CC[NH+]1CCC(CC[NH2+][C@H](C)C[C@H](C)[NH3+])CC1 ZINC000422785701 387683069 /nfs/dbraw/zinc/68/30/69/387683069.db2.gz NWYDRKXUSNFPLD-QWHCGFSZSA-N 3 0 241.423 1.824 20 0 BDADRP COCCOCCC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422784107 387683611 /nfs/dbraw/zinc/68/36/11/387683611.db2.gz LVSBYRFHSCOLOL-OLZOCXBDSA-N 2 0 244.379 1.017 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cnn(C)c1 ZINC000044498873 387683808 /nfs/dbraw/zinc/68/38/08/387683808.db2.gz ZFJQGQFWLIBPAU-NEPJUHHUSA-N 2 0 248.374 1.555 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000422783701 387683871 /nfs/dbraw/zinc/68/38/71/387683871.db2.gz OTHJOFYAVVKOJX-XQHKEYJVSA-N 2 0 240.391 1.907 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cnn(C)c1 ZINC000044498875 387684187 /nfs/dbraw/zinc/68/41/87/387684187.db2.gz ZFJQGQFWLIBPAU-NWDGAFQWSA-N 2 0 248.374 1.555 20 0 BDADRP CCCCOCC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422784661 387684583 /nfs/dbraw/zinc/68/45/83/387684583.db2.gz QBONTBHSYACZIV-STQMWFEESA-N 2 0 228.380 1.781 20 0 BDADRP CC(C)[C@H](O)CC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000422788116 387686848 /nfs/dbraw/zinc/68/68/48/387686848.db2.gz VGZBGBQAWVNOJL-NWDGAFQWSA-N 2 0 214.353 1.125 20 0 BDADRP CC(C)[C@H](O)CC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000422788119 387687203 /nfs/dbraw/zinc/68/72/03/387687203.db2.gz VGZBGBQAWVNOJL-VXGBXAGGSA-N 2 0 214.353 1.125 20 0 BDADRP CC[C@H](F)CN1CCN(c2nccn2C)CC1 ZINC000440771435 387688598 /nfs/dbraw/zinc/68/85/98/387688598.db2.gz NPJMOQWVSOIPJF-NSHDSACASA-N 2 0 240.326 1.290 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)NCCC[NH+]1CCCCC1 ZINC000422791340 387691935 /nfs/dbraw/zinc/69/19/35/387691935.db2.gz UVKRDNVKSVLHNS-OLZOCXBDSA-N 2 0 227.396 1.578 20 0 BDADRP CC[NH+](CC)CCN[C@@H](C)C[C@@H](C)[NH3+] ZINC000422744854 387693730 /nfs/dbraw/zinc/69/37/30/387693730.db2.gz KYCGGKNFWUHXJS-MNOVXSKESA-N 2 0 201.358 1.044 20 0 BDADRP Cc1nc(C)c(C[NH2+][C@H](C)C[C@H](C)[NH3+])s1 ZINC000422793979 387696751 /nfs/dbraw/zinc/69/67/51/387696751.db2.gz XWNMGZNQTYVPPB-JGVFFNPUSA-N 2 0 227.377 1.975 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000422861526 387744577 /nfs/dbraw/zinc/74/45/77/387744577.db2.gz OIYBONWSBPBFDO-BNOWGMLFSA-N 2 0 237.391 1.473 20 0 BDADRP CC[N@H+](CCN[C@H]1CCC[C@@H]1C[NH3+])C(C)C ZINC000422877491 387756214 /nfs/dbraw/zinc/75/62/14/387756214.db2.gz HXLJNHGOSDBEBA-OLZOCXBDSA-N 2 0 227.396 1.434 20 0 BDADRP CC[C@H](NCC[N@H+](CC)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000422879515 387756246 /nfs/dbraw/zinc/75/62/46/387756246.db2.gz MFTURUMPXMDLRT-KBPBESRZSA-N 2 0 241.423 1.837 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2CCC[C@H]2[NH3+])C[N@@H+]1C1CC1 ZINC000422861758 387745218 /nfs/dbraw/zinc/74/52/18/387745218.db2.gz JNNRUFPINIRTRQ-DNIRFERGSA-N 2 0 223.364 1.081 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@H](C)N1CCCC[C@@H]1C ZINC000422869142 387748927 /nfs/dbraw/zinc/74/89/27/387748927.db2.gz WSSWSBMJSHDIRY-RDBSUJKOSA-N 3 0 241.423 1.966 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422868171 387749581 /nfs/dbraw/zinc/74/95/81/387749581.db2.gz UNGZQNWPYMNSAN-UPJWGTAASA-N 2 0 228.380 1.373 20 0 BDADRP CCN(CC[NH2+][C@@H](C)CCCC[NH3+])C(C)C ZINC000422875760 387752838 /nfs/dbraw/zinc/75/28/38/387752838.db2.gz DDJJNZQDZFGNOZ-ZDUSSCGKSA-N 2 0 229.412 1.824 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCCOc1ccccc1 ZINC000422795832 387696995 /nfs/dbraw/zinc/69/69/95/387696995.db2.gz WSWHMWLPJMVAJB-ZIAGYGMSSA-N 2 0 234.343 1.925 20 0 BDADRP CO[C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])C(C)(C)C ZINC000422806899 387705318 /nfs/dbraw/zinc/70/53/18/387705318.db2.gz IWWDIMFAIYLITC-HBNTYKKESA-N 2 0 216.369 1.763 20 0 BDADRP CN(CC[NH2+][C@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000422805441 387706028 /nfs/dbraw/zinc/70/60/28/387706028.db2.gz GUIGMDFPLPIPNW-ZFWWWQNUSA-N 2 0 247.386 1.840 20 0 BDADRP C[C@@H](NCC[NH+]1CCCCCC1)C1C[NH2+]C1 ZINC000422807797 387706244 /nfs/dbraw/zinc/70/62/44/387706244.db2.gz NFNSJAUKDLSABQ-GFCCVEGCSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)Cc1cccs1)C1C[NH2+]C1 ZINC000422808270 387708328 /nfs/dbraw/zinc/70/83/28/387708328.db2.gz OCZZRJWYVPAPLL-VHSXEESVSA-N 2 0 224.373 1.877 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCC1CCCC1 ZINC000422809280 387708402 /nfs/dbraw/zinc/70/84/02/387708402.db2.gz RRTWXIHIIUVAKS-FPMFFAJLSA-N 2 0 240.391 1.909 20 0 BDADRP CN(CC[NH2+][C@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000422813040 387711276 /nfs/dbraw/zinc/71/12/76/387711276.db2.gz RIDJAUJUSKQOLP-KGLIPLIRSA-N 2 0 233.359 1.592 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CC1(CCO)CCCC1 ZINC000422815967 387713755 /nfs/dbraw/zinc/71/37/55/387713755.db2.gz YVULIJCLCMQMOG-CHWSQXEVSA-N 2 0 240.391 1.646 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC1(CCO)CCCC1 ZINC000422815969 387714751 /nfs/dbraw/zinc/71/47/51/387714751.db2.gz YVULIJCLCMQMOG-QWHCGFSZSA-N 2 0 240.391 1.646 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CCCSC1 ZINC000422818980 387718053 /nfs/dbraw/zinc/71/80/53/387718053.db2.gz LWLZCJYNEDKPHL-AEJSXWLSSA-N 2 0 202.367 1.597 20 0 BDADRP CC(C)C[C@H](CN[C@H]1C[NH2+]CC[C@H]1C)[NH+](C)C ZINC000422821687 387718118 /nfs/dbraw/zinc/71/81/18/387718118.db2.gz XVVCJVKNXTZNKS-MCIONIFRSA-N 2 0 241.423 1.550 20 0 BDADRP CNC(=O)c1ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422826424 387720748 /nfs/dbraw/zinc/72/07/48/387720748.db2.gz LKTGAVBAHWUGHI-MNOVXSKESA-N 2 0 249.358 1.262 20 0 BDADRP C[C@H]([NH2+]CCOCc1ccccc1)C1C[NH2+]C1 ZINC000422824159 387720804 /nfs/dbraw/zinc/72/08/04/387720804.db2.gz NEKPEYNQNGHCET-LBPRGKRZSA-N 2 0 234.343 1.401 20 0 BDADRP C[C@@H](N[C@H]1CCC[NH2+]CC1)[C@H]1CCCC[NH2+]1 ZINC000643523064 387724100 /nfs/dbraw/zinc/72/41/00/387724100.db2.gz UXUCXIAEXMBRQL-FRRDWIJNSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@@]1(N(C)C)CCSC1 ZINC000422832518 387726280 /nfs/dbraw/zinc/72/62/80/387726280.db2.gz XVMKAYIHYCXSFU-NEPJUHHUSA-N 2 0 245.436 1.141 20 0 BDADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)C(C)(C)C ZINC000127703653 387726334 /nfs/dbraw/zinc/72/63/34/387726334.db2.gz IRPIFGKJPJVTAC-QWHCGFSZSA-N 2 0 241.423 1.647 20 0 BDADRP CCOCc1ccc(C[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000422838136 387729574 /nfs/dbraw/zinc/72/95/74/387729574.db2.gz WGBFAIPSMPDLOY-LBPRGKRZSA-N 2 0 248.370 1.921 20 0 BDADRP CC[C@H]([NH2+]CC1CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000422841323 387730893 /nfs/dbraw/zinc/73/08/93/387730893.db2.gz CTKIHMDSIHOAGY-STQMWFEESA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)[C@@H]1CCCOC1 ZINC000356855890 387731779 /nfs/dbraw/zinc/73/17/79/387731779.db2.gz VOUCNPZEZCUVSE-QWHCGFSZSA-N 2 0 242.407 1.979 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])C1(C)C ZINC000422850837 387735125 /nfs/dbraw/zinc/73/51/25/387735125.db2.gz OFDPRBHWTTVWKQ-ZRUFSTJUSA-N 2 0 214.353 1.515 20 0 BDADRP C[C@@H]1[C@H](C)N(CC[C@H]2CCC[NH+]2C)CC[N@H+]1C ZINC000356967998 387756051 /nfs/dbraw/zinc/75/60/51/387756051.db2.gz AUUAIVGEVCUQSH-HZSPNIEDSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@@H]1CC12CC2 ZINC000527863779 387737346 /nfs/dbraw/zinc/73/73/46/387737346.db2.gz JCQHCWHZGUTTPC-NEPJUHHUSA-N 2 0 238.375 1.221 20 0 BDADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@@H]1CC12CC2 ZINC000527863784 387737959 /nfs/dbraw/zinc/73/79/59/387737959.db2.gz JCQHCWHZGUTTPC-RYUDHWBXSA-N 2 0 238.375 1.221 20 0 BDADRP CO[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1(C)C ZINC000422852701 387738348 /nfs/dbraw/zinc/73/83/48/387738348.db2.gz RDBQETJDAOUJQK-KTCIRNNBSA-N 2 0 238.375 1.673 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+]C2CCC(C[NH3+])CC2)C1(C)C ZINC000422857218 387739752 /nfs/dbraw/zinc/73/97/52/387739752.db2.gz XYURCUAPTJLLGB-IFWUJCSASA-N 2 0 240.391 1.907 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CCCOC1 ZINC000422856110 387740730 /nfs/dbraw/zinc/74/07/30/387740730.db2.gz DPFROPYQVJFBJI-GRYCIOLGSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CCN1CCCC[C@H]1C ZINC000422857089 387741598 /nfs/dbraw/zinc/74/15/98/387741598.db2.gz GVRAIVKLXSUIBY-CHWSQXEVSA-N 2 0 227.396 1.578 20 0 BDADRP CO[C@H]1C[C@@H]([NH2+]C2CCC(C[NH3+])CC2)C1(C)C ZINC000422857219 387742015 /nfs/dbraw/zinc/74/20/15/387742015.db2.gz XYURCUAPTJLLGB-TUUUFIMRSA-N 2 0 240.391 1.907 20 0 BDADRP CC[C@@H](O)CC[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422890558 387763008 /nfs/dbraw/zinc/76/30/08/387763008.db2.gz INTZKKBCZMQVAA-UTUOFQBUSA-N 2 0 214.353 1.268 20 0 BDADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@H](C)[NH3+] ZINC000643527372 387763503 /nfs/dbraw/zinc/76/35/03/387763503.db2.gz LRMOMODDCXJDJM-WDEREUQCSA-N 2 0 246.358 1.821 20 0 BDADRP COC[C@H]([NH2+]C[C@H](C)[NH3+])C1CCCC1 ZINC000643527550 387764989 /nfs/dbraw/zinc/76/49/89/387764989.db2.gz OJCCCXTZFYGACB-ONGXEEELSA-N 2 0 200.326 1.128 20 0 BDADRP CCCCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)[NH3+])C1(C)C ZINC000643527578 387765441 /nfs/dbraw/zinc/76/54/41/387765441.db2.gz OSVKSTPKAZYHHA-IJLUTSLNSA-N 2 0 228.380 1.907 20 0 BDADRP CC(C)CO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)[NH3+])C1(C)C ZINC000643527520 387766216 /nfs/dbraw/zinc/76/62/16/387766216.db2.gz NWPUWFPYVHMYCU-IJLUTSLNSA-N 2 0 228.380 1.763 20 0 BDADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCOC1 ZINC000422895350 387766661 /nfs/dbraw/zinc/76/66/61/387766661.db2.gz FQQIDVIDLSQJHU-NWANDNLSSA-N 2 0 248.370 1.571 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1CCCC1 ZINC000422904374 387767686 /nfs/dbraw/zinc/76/76/86/387767686.db2.gz XGHQNYVDGHVBEX-DRZSPHRISA-N 2 0 226.364 1.519 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccccc1N(C)C ZINC000422913842 387771171 /nfs/dbraw/zinc/77/11/71/387771171.db2.gz QWYRDJHMQQNDEP-NWDGAFQWSA-N 2 0 235.375 1.968 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000422912038 387771375 /nfs/dbraw/zinc/77/13/75/387771375.db2.gz VABUOIXBAKLJSJ-IHRRRGAJSA-N 2 0 241.423 1.966 20 0 BDADRP CC[C@@H](NCC[N@@H+](C)[C@@H](C)CC)[C@@H]1CCC[NH2+]1 ZINC000422912047 387771850 /nfs/dbraw/zinc/77/18/50/387771850.db2.gz VBKMQCPWVSFZOY-MJBXVCDLSA-N 2 0 241.423 1.837 20 0 BDADRP C[C@H](C[NH3+])CNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000441615192 387772480 /nfs/dbraw/zinc/77/24/80/387772480.db2.gz SOBXYLNRSMSYIS-NTZNESFSSA-N 2 0 249.358 1.034 20 0 BDADRP CC(C)C1(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])CC1 ZINC000422919339 387775772 /nfs/dbraw/zinc/77/57/72/387775772.db2.gz JPUOQAONGWAHGR-YNEHKIRRSA-N 2 0 240.391 1.765 20 0 BDADRP CC[C@@H](O)CCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422923677 387777290 /nfs/dbraw/zinc/77/72/90/387777290.db2.gz SLIDEUBUZWQPLX-UTUOFQBUSA-N 2 0 214.353 1.268 20 0 BDADRP CS[C@@H](C)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422933549 387781049 /nfs/dbraw/zinc/78/10/49/387781049.db2.gz IAPNBUVTRIKJGZ-IVZWLZJFSA-N 2 0 202.367 1.468 20 0 BDADRP CCOCCC1(C[NH2+][C@H](C)C2C[NH2+]C2)CCC1 ZINC000422933766 387783574 /nfs/dbraw/zinc/78/35/74/387783574.db2.gz DSLBRTJLKMEHNW-GFCCVEGCSA-N 2 0 240.391 1.781 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000422901115 387785477 /nfs/dbraw/zinc/78/54/77/387785477.db2.gz BPTVCWJSMAWKDS-IHRRRGAJSA-N 2 0 241.423 1.694 20 0 BDADRP C[C@@H](NC[C@@H]1CCC[N@@H+]1C)[C@H]1CCCC[NH2+]1 ZINC000422901524 387786950 /nfs/dbraw/zinc/78/69/50/387786950.db2.gz LFZCXGQSDWFIDM-FRRDWIJNSA-N 2 0 225.380 1.201 20 0 BDADRP CO[C@H](C)CC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422901979 387787672 /nfs/dbraw/zinc/78/76/72/387787672.db2.gz MBGAJKXEGFLKDM-GRYCIOLGSA-N 2 0 214.353 1.661 20 0 BDADRP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]CCC1CC(O)C1 ZINC000432421609 387788696 /nfs/dbraw/zinc/78/86/96/387788696.db2.gz QFYHAXXJHYFZTK-PYULLRNSSA-N 2 0 238.375 1.220 20 0 BDADRP CC1CC([NH2+]CCCN2CCCO[C@H](C)C2)C1 ZINC000432424065 387789248 /nfs/dbraw/zinc/78/92/48/387789248.db2.gz MSICSWTYUWBZFQ-ROKHWSDSSA-N 2 0 240.391 1.875 20 0 BDADRP CCC[N@@H+]1CC[C@H](CN[C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000422978596 387789623 /nfs/dbraw/zinc/78/96/23/387789623.db2.gz ZSQZQKNYOKHCSR-MJBXVCDLSA-N 2 0 239.407 1.306 20 0 BDADRP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000422982242 387793185 /nfs/dbraw/zinc/79/31/85/387793185.db2.gz WHXOGHJOLULUJC-MJBXVCDLSA-N 2 0 242.407 1.891 20 0 BDADRP CC[C@@H]([NH2+]CC(C)(C)CCCO)[C@@H]1CCC[NH2+]1 ZINC000422985707 387795173 /nfs/dbraw/zinc/79/51/73/387795173.db2.gz FWRORUYIYFNPJY-OLZOCXBDSA-N 2 0 242.407 1.905 20 0 BDADRP CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@H](C)CCC[NH3+])C1 ZINC000422987105 387795680 /nfs/dbraw/zinc/79/56/80/387795680.db2.gz FFAGDCFJLOKWBK-UPJWGTAASA-N 2 0 227.396 1.432 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCC[C@H]1CCCC[C@H]1O ZINC000422988180 387798529 /nfs/dbraw/zinc/79/85/29/387798529.db2.gz IMBYVDJZLGYKME-YIYPIFLZSA-N 2 0 240.391 1.787 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCO[C@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000422989765 387798763 /nfs/dbraw/zinc/79/87/63/387798763.db2.gz MKVPZFJLQHDQAW-RFGFWPKPSA-N 2 0 240.391 1.922 20 0 BDADRP Cc1cc(C[C@H](C)[NH2+][C@@H](C)CCCC[NH3+])[nH]n1 ZINC000422987923 387798829 /nfs/dbraw/zinc/79/88/29/387798829.db2.gz HVEQISBDMOUCNF-QWRGUYRKSA-N 2 0 238.379 1.756 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](CO)c1ccccc1 ZINC000422990086 387799468 /nfs/dbraw/zinc/79/94/68/387799468.db2.gz BMLJZXDLNDJQGA-SGMGOOAPSA-N 2 0 236.359 1.478 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[NH3+])CCO1 ZINC000422990184 387799861 /nfs/dbraw/zinc/79/98/61/387799861.db2.gz NCMPCFDAVOQHOA-LPWJVIDDSA-N 2 0 226.364 1.659 20 0 BDADRP COCCC1(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000422992076 387800874 /nfs/dbraw/zinc/80/08/74/387800874.db2.gz QQONRAFHMUEMQC-CHWSQXEVSA-N 2 0 240.391 1.781 20 0 BDADRP CC(C)C[N@@H+]1CCCC[C@H]1CN[C@@H]1CC[NH2+]C1 ZINC000422997886 387805967 /nfs/dbraw/zinc/80/59/67/387805967.db2.gz OYCDGVCRKYDTFS-KGLIPLIRSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000528005352 387806148 /nfs/dbraw/zinc/80/61/48/387806148.db2.gz SPRVEJZNTDGGJW-OKGQBYDBSA-N 2 0 226.364 1.338 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCNc1ccccn1 ZINC000423001944 387806576 /nfs/dbraw/zinc/80/65/76/387806576.db2.gz FJARAAIDSJSRCF-CHWSQXEVSA-N 2 0 248.374 1.601 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1(C)CCCC1 ZINC000422951889 387807444 /nfs/dbraw/zinc/80/74/44/387807444.db2.gz AQOQOUBPVPMZGV-RWMBFGLXSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CCNc1ccccn1 ZINC000423001935 387807546 /nfs/dbraw/zinc/80/75/46/387807546.db2.gz FIJXTGCOFNKERQ-NSHDSACASA-N 2 0 222.336 1.211 20 0 BDADRP CCO[C@@]1(C)C[C@H]1[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000527975238 387813496 /nfs/dbraw/zinc/81/34/96/387813496.db2.gz SKACMEXZNXQANE-KSTCHIGDSA-N 2 0 240.391 1.872 20 0 BDADRP CCN(CC)C(=O)CCC[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422953529 387808991 /nfs/dbraw/zinc/80/89/91/387808991.db2.gz FVCJFNYDVCJCHK-RYUDHWBXSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(CCO)CC1 ZINC000157512270 387809439 /nfs/dbraw/zinc/80/94/39/387809439.db2.gz ZQBIZMSSVQHFIV-FRRDWIJNSA-N 2 0 240.391 1.467 20 0 BDADRP Cc1nccn1C[C@H](C)C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422952486 387810397 /nfs/dbraw/zinc/81/03/97/387810397.db2.gz CNEJFMRJBOSBBG-UTUOFQBUSA-N 2 0 238.379 1.543 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000422887898 387759385 /nfs/dbraw/zinc/75/93/85/387759385.db2.gz LPWKZSLJCCYRNH-XUXIUFHCSA-N 2 0 241.423 1.965 20 0 BDADRP C[C@@H]([NH3+])CN(CCc1ccccc1)[C@@H]1CCOC1 ZINC000442667709 387820009 /nfs/dbraw/zinc/82/00/09/387820009.db2.gz ZRHADJBFIMNLRI-UKRRQHHQSA-N 2 0 248.370 1.667 20 0 BDADRP CC[C@H]([NH2+]C[C@H](C)CO)[C@@H]1CCCC[NH2+]1 ZINC000422971511 387821687 /nfs/dbraw/zinc/82/16/87/387821687.db2.gz IVOSXLALHNFGJT-SRVKXCTJSA-N 2 0 214.353 1.125 20 0 BDADRP C[C@@H](CO)[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423004792 387825531 /nfs/dbraw/zinc/82/55/31/387825531.db2.gz KUICJFAACWYWHP-UMSGYPCISA-N 2 0 226.364 1.268 20 0 BDADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422975869 387826369 /nfs/dbraw/zinc/82/63/69/387826369.db2.gz HOYQPJUINHBMDC-DDTOSNHZSA-N 2 0 234.343 1.793 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[C@H](O)C1)[C@@H]1CCC[NH2+]1 ZINC000423005035 387826395 /nfs/dbraw/zinc/82/63/95/387826395.db2.gz LOEZCUDIMHPADK-CYDGBPFRSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)[C@@H]1CCC[NH2+]1 ZINC000423004077 387826473 /nfs/dbraw/zinc/82/64/73/387826473.db2.gz JCMPIHOPPVFZLQ-LPWJVIDDSA-N 2 0 226.364 1.268 20 0 BDADRP CCC(CC)(CO)C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000423003231 387826803 /nfs/dbraw/zinc/82/68/03/387826803.db2.gz LDHAIHYEFQKOGK-GHMZBOCLSA-N 2 0 214.353 1.255 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)NCC([NH3+])(CC)CC ZINC000442721425 387827962 /nfs/dbraw/zinc/82/79/62/387827962.db2.gz VDLOHGSEVJJWPM-JTQLQIEISA-N 2 0 229.368 1.138 20 0 BDADRP COc1cccc(CC[NH2+][C@@H]2CCC[NH2+]CC2)n1 ZINC000423007363 387828556 /nfs/dbraw/zinc/82/85/56/387828556.db2.gz QMABSSKSQGJHPR-GFCCVEGCSA-N 2 0 249.358 1.364 20 0 BDADRP CC[C@H](C[C@@H](C)CO)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423007122 387828675 /nfs/dbraw/zinc/82/86/75/387828675.db2.gz PVGOYGPEICNXID-LPWJVIDDSA-N 2 0 228.380 1.514 20 0 BDADRP CCC(CC)(CO)C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000423006827 387829605 /nfs/dbraw/zinc/82/96/05/387829605.db2.gz WNNLXXSKKAEIAU-CHWSQXEVSA-N 2 0 242.407 1.763 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H](CO)c1ccccc1 ZINC000423008673 387832023 /nfs/dbraw/zinc/83/20/23/387832023.db2.gz TZHRJEJEEVCZLD-RRFJBIMHSA-N 2 0 248.370 1.480 20 0 BDADRP CCOC1CC(CC[NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC000423075655 387873188 /nfs/dbraw/zinc/87/31/88/387873188.db2.gz XINXIGMGFRDVIR-YIOUJQMASA-N 2 0 240.391 1.909 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](CO)c1ccccc1 ZINC000423011401 387833196 /nfs/dbraw/zinc/83/31/96/387833196.db2.gz ZLKFXINIWXWMQP-GVXVVHGQSA-N 2 0 222.332 1.435 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCNc1ccccn1 ZINC000423010829 387833253 /nfs/dbraw/zinc/83/32/53/387833253.db2.gz YNXBKQPGMXJUKM-QWRGUYRKSA-N 2 0 222.336 1.209 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1ccncc1 ZINC000423010789 387833421 /nfs/dbraw/zinc/83/34/21/387833421.db2.gz YIQCIHYQFBEVQM-GXTWGEPZSA-N 2 0 233.359 1.602 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCNc1ccccn1 ZINC000423011385 387834209 /nfs/dbraw/zinc/83/42/09/387834209.db2.gz ZKJRVUKDJYKRML-OLZOCXBDSA-N 2 0 248.374 1.743 20 0 BDADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423013142 387836733 /nfs/dbraw/zinc/83/67/33/387836733.db2.gz FFENVEBAYRSRKQ-AAVRWANBSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000423013665 387836915 /nfs/dbraw/zinc/83/69/15/387836915.db2.gz NEPSFKBURDZWQX-QSFUFRPTSA-N 2 0 212.337 1.269 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423013345 387837103 /nfs/dbraw/zinc/83/71/03/387837103.db2.gz MQVMORXUNZLODG-RWMBFGLXSA-N 2 0 228.380 1.373 20 0 BDADRP Cc1cncc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000423018374 387841024 /nfs/dbraw/zinc/84/10/24/387841024.db2.gz YSPUZUUZZDGTPW-UONOGXRCSA-N 2 0 233.359 1.997 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](CO)CC1CCCC1 ZINC000423024864 387844769 /nfs/dbraw/zinc/84/47/69/387844769.db2.gz MYTOZAOCCYMYEP-WCQYABFASA-N 2 0 228.380 1.645 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000423031537 387846389 /nfs/dbraw/zinc/84/63/89/387846389.db2.gz LGIRFAKMHDCHKU-UPJWGTAASA-N 2 0 226.364 1.391 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000423034553 387847951 /nfs/dbraw/zinc/84/79/51/387847951.db2.gz ICSGCRNSGRGDRX-CYBMUJFWSA-N 3 0 241.423 1.825 20 0 BDADRP C[C@H](N[C@@H]1CCC[N@H+](C)[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000423032738 387848378 /nfs/dbraw/zinc/84/83/78/387848378.db2.gz NBGCKNMQVKTMKI-WUHRBBMRSA-N 2 0 225.380 1.199 20 0 BDADRP CC1=CCN(CC[NH2+][C@@H](C)CCCC[NH3+])CC1 ZINC000423032499 387848879 /nfs/dbraw/zinc/84/88/79/387848879.db2.gz FMSXUQQSDWBRKS-AWEZNQCLSA-N 2 0 239.407 1.746 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCOC(F)(F)F ZINC000423072892 387873941 /nfs/dbraw/zinc/87/39/41/387873941.db2.gz QKBPVQBXVNTADD-RQJHMYQMSA-N 2 0 214.231 1.238 20 0 BDADRP CCC(O)(CC)CC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000423075494 387873952 /nfs/dbraw/zinc/87/39/52/387873952.db2.gz XCVKOJFQFWWVIE-MNOVXSKESA-N 2 0 216.369 1.643 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCN(C)[C@@H]1C ZINC000423034252 387848966 /nfs/dbraw/zinc/84/89/66/387848966.db2.gz PQGYXWQDTSVAKB-JHJVBQTASA-N 2 0 227.396 1.576 20 0 BDADRP CS[C@@H](C[NH2+][C@H](C)C1C[NH2+]C1)C(C)(C)C ZINC000423033665 387849368 /nfs/dbraw/zinc/84/93/68/387849368.db2.gz OVXVIXLUUAXSBF-KOLCDFICSA-N 2 0 230.421 1.962 20 0 BDADRP CS[C@H](C[NH2+][C@H](C)C1C[NH2+]C1)C(C)(C)C ZINC000423033667 387849547 /nfs/dbraw/zinc/84/95/47/387849547.db2.gz OVXVIXLUUAXSBF-MWLCHTKSSA-N 2 0 230.421 1.962 20 0 BDADRP C[C@@H]([NH2+][C@H](CCO)C(C)(C)C)[C@H]1CCC[NH2+]1 ZINC000423035436 387850584 /nfs/dbraw/zinc/85/05/84/387850584.db2.gz JKYRCPSOONRHEX-IJLUTSLNSA-N 2 0 228.380 1.514 20 0 BDADRP C[C@@H](C[NH2+]C1CCOCC1)C[NH+]1CCCC1 ZINC000062078429 387850572 /nfs/dbraw/zinc/85/05/72/387850572.db2.gz DJUHLLKVRYBSKB-LBPRGKRZSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NCC1(C[NH+](C)C)CCCC1 ZINC000423037083 387851447 /nfs/dbraw/zinc/85/14/47/387851447.db2.gz MGYAPQRJSQJRQL-STQMWFEESA-N 2 0 241.423 1.824 20 0 BDADRP CC1=CCN(CC[NH2+][C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000423039147 387852867 /nfs/dbraw/zinc/85/28/67/387852867.db2.gz PXZPMTDXTHEKLU-STQMWFEESA-N 2 0 223.364 1.108 20 0 BDADRP CC(C)C[C@@H]1C[C@H]([NH2+][C@H](C)C2C[NH2+]C2)CCO1 ZINC000423039933 387852969 /nfs/dbraw/zinc/85/29/69/387852969.db2.gz GFRFJGXFGOJQHH-MRVWCRGKSA-N 2 0 240.391 1.778 20 0 BDADRP C[C@@H]([NH2+]C[C@H](O)CCc1ccccc1)C1C[NH2+]C1 ZINC000423038387 387853242 /nfs/dbraw/zinc/85/32/42/387853242.db2.gz YPMYQUNTEZFXKD-IUODEOHRSA-N 2 0 248.370 1.178 20 0 BDADRP CC(C)[C@H](C[NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000433171292 387853253 /nfs/dbraw/zinc/85/32/53/387853253.db2.gz DAPPODIJAFYCAR-QWHCGFSZSA-N 2 0 249.358 1.034 20 0 BDADRP CC(C)OCC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000423040697 387853356 /nfs/dbraw/zinc/85/33/56/387853356.db2.gz UUDMZGIOCMPYCP-RYUDHWBXSA-N 2 0 214.353 1.661 20 0 BDADRP CC(C)OCC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000423041133 387853385 /nfs/dbraw/zinc/85/33/85/387853385.db2.gz WDZZBMRSYUMCPZ-RYUDHWBXSA-N 2 0 214.353 1.389 20 0 BDADRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)[C@@H]1CCCO1 ZINC000643535392 387855903 /nfs/dbraw/zinc/85/59/03/387855903.db2.gz LOOFSFZOZPOSMK-SRVKXCTJSA-N 2 0 224.348 1.286 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CCN1CCCC(C)(C)C1 ZINC000423075062 387874276 /nfs/dbraw/zinc/87/42/76/387874276.db2.gz NJTKQVSERLNQCC-ZDUSSCGKSA-N 2 0 241.423 1.825 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)CN1C1CC1 ZINC000643534767 387860095 /nfs/dbraw/zinc/86/00/95/387860095.db2.gz CJXZNBQFEUPCQG-MBNYWOFBSA-N 2 0 249.402 1.343 20 0 BDADRP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H](C)C2C[NH2+]C2)C1(C)C ZINC000423051323 387860470 /nfs/dbraw/zinc/86/04/70/387860470.db2.gz NPDLLDHTEUTLDP-WCFLWFBJSA-N 2 0 240.391 1.776 20 0 BDADRP C[C@@H](C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1)C(F)(F)F ZINC000423056106 387861697 /nfs/dbraw/zinc/86/16/97/387861697.db2.gz XCQUYNODEVGDER-CIUDSAMLSA-N 2 0 224.270 1.772 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643535100 387861830 /nfs/dbraw/zinc/86/18/30/387861830.db2.gz IZQFQLCAKCOYDK-MXWKQRLJSA-N 2 0 212.337 1.142 20 0 BDADRP COC[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)C1CC1 ZINC000643535251 387862865 /nfs/dbraw/zinc/86/28/65/387862865.db2.gz LBXPQKBYMRNTQX-NWDGAFQWSA-N 2 0 224.348 1.143 20 0 BDADRP COC[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)C1CC1 ZINC000643535252 387863180 /nfs/dbraw/zinc/86/31/80/387863180.db2.gz LBXPQKBYMRNTQX-RYUDHWBXSA-N 2 0 224.348 1.143 20 0 BDADRP CCC(O)(CC)CC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423073360 387874500 /nfs/dbraw/zinc/87/45/00/387874500.db2.gz RDWSTJCJWQXVMQ-QWHCGFSZSA-N 2 0 242.407 1.905 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC1(CO)CCCC1 ZINC000423057598 387864503 /nfs/dbraw/zinc/86/45/03/387864503.db2.gz ZRBHUZOHJKMCGK-WDEREUQCSA-N 2 0 214.353 1.255 20 0 BDADRP C[C@H](N[C@H]1CC12CC[NH2+]CC2)[C@@H]1CCCC[NH2+]1 ZINC000643535846 387865670 /nfs/dbraw/zinc/86/56/70/387865670.db2.gz JWDGDHCQNIULNB-AVGNSLFASA-N 2 0 237.391 1.249 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)[C@H]1CCCC[NH2+]1 ZINC000423060345 387865721 /nfs/dbraw/zinc/86/57/21/387865721.db2.gz HVOLBTJFLHMPTI-REWJHTLYSA-N 2 0 240.391 1.658 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643535902 387866613 /nfs/dbraw/zinc/86/66/13/387866613.db2.gz KVUGDAPPDVMNDP-XQQFMLRXSA-N 3 0 237.391 1.236 20 0 BDADRP C[NH+](C)CCC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000193940451 387868243 /nfs/dbraw/zinc/86/82/43/387868243.db2.gz QYEDONAEOUNJPX-FRRDWIJNSA-N 2 0 238.375 1.485 20 0 BDADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H](C[NH3+])C(C)C ZINC000433133339 387868652 /nfs/dbraw/zinc/86/86/52/387868652.db2.gz ZASBDAXEFUOHQX-VXGBXAGGSA-N 2 0 243.395 1.049 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CCC[NH2+]CC1)c1ccncc1 ZINC000643460222 387874747 /nfs/dbraw/zinc/87/47/47/387874747.db2.gz CLRAPLOSYCZCHK-TZMCWYRMSA-N 2 0 233.359 1.917 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCOCC(F)F ZINC000423065807 387870620 /nfs/dbraw/zinc/87/06/20/387870620.db2.gz CMSWBSJCEXACQP-ZJUUUORDSA-N 2 0 236.306 1.246 20 0 BDADRP CCOC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])C(C)C ZINC000423071153 387871306 /nfs/dbraw/zinc/87/13/06/387871306.db2.gz OCOVSXUUSMLGHR-UTUOFQBUSA-N 2 0 216.369 1.763 20 0 BDADRP CCC(O)(CC)CC[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423075495 387874780 /nfs/dbraw/zinc/87/47/80/387874780.db2.gz XCVKOJFQFWWVIE-QWRGUYRKSA-N 2 0 216.369 1.643 20 0 BDADRP CC[C@H](CN[C@@H]1CCC[C@@H]1C[NH3+])[NH+]1CCCC1 ZINC000422962517 387813834 /nfs/dbraw/zinc/81/38/34/387813834.db2.gz FYWOADSPPDODMD-MGPQQGTHSA-N 2 0 239.407 1.578 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@@H]1C[NH2+]CC[C@H]1C ZINC000422964318 387813996 /nfs/dbraw/zinc/81/39/96/387813996.db2.gz LISFVMBNAJVMEE-CHWSQXEVSA-N 2 0 227.396 1.304 20 0 BDADRP CC(C)[C@H](CN[C@H](C)C1C[NH2+]C1)[NH+]1CCCC1 ZINC000422962328 387814146 /nfs/dbraw/zinc/81/41/46/387814146.db2.gz FINZNUBNNFXQMI-OCCSQVGLSA-N 2 0 239.407 1.304 20 0 BDADRP C[C@@H]([NH3+])CN(CCO)[C@H]1CCc2ccccc21 ZINC000442659070 387815366 /nfs/dbraw/zinc/81/53/66/387815366.db2.gz ARGNDOZCTKVJBJ-RISCZKNCSA-N 2 0 234.343 1.315 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCc1ccc(CO)cc1 ZINC000643478215 387815717 /nfs/dbraw/zinc/81/57/17/387815717.db2.gz FVMHSBAQQWTISF-KBPBESRZSA-N 2 0 234.343 1.191 20 0 BDADRP C[C@@H]([NH3+])CN1CC[NH+](CCC(C)(C)C)CC1 ZINC000442662704 387817842 /nfs/dbraw/zinc/81/78/42/387817842.db2.gz HXAOATNXPCFTPW-GFCCVEGCSA-N 2 0 227.396 1.387 20 0 BDADRP C[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000423102291 387889516 /nfs/dbraw/zinc/88/95/16/387889516.db2.gz DYPDRNIJCPWMMA-DGAVXFQQSA-N 2 0 240.391 1.637 20 0 BDADRP CC[C@H]([NH2+]C[C@@H](CO)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000423111183 387892641 /nfs/dbraw/zinc/89/26/41/387892641.db2.gz QDOKYMNMJLETBX-AVGNSLFASA-N 2 0 228.380 1.371 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@H]1OC(F)F)[C@@H]1CC[NH2+]C1 ZINC000423109504 387894408 /nfs/dbraw/zinc/89/44/08/387894408.db2.gz HIZKPJFOQANXLX-LNFKQOIKSA-N 2 0 248.317 1.734 20 0 BDADRP COCC[C@@H]([NH2+][C@@H]1CC[NH2+]C1)C(C)(C)C ZINC000423115094 387895557 /nfs/dbraw/zinc/89/55/57/387895557.db2.gz MSMMBHCKANVVJN-GHMZBOCLSA-N 2 0 214.353 1.389 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000423112586 387895997 /nfs/dbraw/zinc/89/59/97/387895997.db2.gz SBJKNGHRDXAMTI-BZPMIXESSA-N 2 0 236.359 1.305 20 0 BDADRP CCC[N@@H+]1CCC[C@H]1CN[C@H]1C[NH2+]CC[C@@H]1C ZINC000423112238 387896055 /nfs/dbraw/zinc/89/60/55/387896055.db2.gz RUHTXIUUBSQILQ-IHRRRGAJSA-N 2 0 239.407 1.448 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000423112170 387896547 /nfs/dbraw/zinc/89/65/47/387896547.db2.gz RNMPJWGVGJHGRW-KATARQTJSA-N 2 0 218.291 1.747 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000423112173 387896978 /nfs/dbraw/zinc/89/69/78/387896978.db2.gz RNMPJWGVGJHGRW-XKNYDFJKSA-N 2 0 218.291 1.747 20 0 BDADRP C[C@H]([NH2+]CCc1cccc2[nH]ccc21)C1C[NH2+]C1 ZINC000423117591 387898107 /nfs/dbraw/zinc/89/81/07/387898107.db2.gz WDZIKBMHIWNUMY-NSHDSACASA-N 2 0 243.354 1.908 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCOC(F)(F)F ZINC000423072889 387875341 /nfs/dbraw/zinc/87/53/41/387875341.db2.gz QKBPVQBXVNTADD-BQBZGAKWSA-N 2 0 214.231 1.238 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H](C)c1ccncc1 ZINC000643460305 387875379 /nfs/dbraw/zinc/87/53/79/387875379.db2.gz NTWAJUGFYFXDST-GRYCIOLGSA-N 2 0 221.348 1.901 20 0 BDADRP CC[C@@H]([NH2+]CCC[C@H](C)O)[C@@H]1CCC[NH2+]1 ZINC000423080971 387876100 /nfs/dbraw/zinc/87/61/00/387876100.db2.gz CBPWLQLEPZPFHP-TUAOUCFPSA-N 2 0 214.353 1.268 20 0 BDADRP CC[C@H]([NH2+]CCC[C@H](C)O)[C@@H]1CCC[NH2+]1 ZINC000423080970 387876826 /nfs/dbraw/zinc/87/68/26/387876826.db2.gz CBPWLQLEPZPFHP-SRVKXCTJSA-N 2 0 214.353 1.268 20 0 BDADRP COC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC000423080332 387877167 /nfs/dbraw/zinc/87/71/67/387877167.db2.gz AAHXKGZGNUVVKJ-YFKTTZPYSA-N 2 0 240.347 1.045 20 0 BDADRP C[C@H](NCC(C)(C)C[NH+]1CCCC1)C1C[NH2+]C1 ZINC000423077656 387877262 /nfs/dbraw/zinc/87/72/62/387877262.db2.gz MNWWMYYVEDIHGK-LBPRGKRZSA-N 2 0 239.407 1.306 20 0 BDADRP C[C@@H]([NH2+]C[C@](C)(O)C1CCCCC1)C1C[NH2+]C1 ZINC000423083885 387879564 /nfs/dbraw/zinc/87/95/64/387879564.db2.gz ZJEPPFDPBDLPQO-RISCZKNCSA-N 2 0 240.391 1.515 20 0 BDADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CN[C@@H]1CCC[C@H]1[NH3+] ZINC000423085868 387880099 /nfs/dbraw/zinc/88/00/99/387880099.db2.gz LRQXJGFSGHBOSB-UPJWGTAASA-N 2 0 239.407 1.576 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@H]1CCC[C@H]1C[NH3+] ZINC000423088196 387880424 /nfs/dbraw/zinc/88/04/24/387880424.db2.gz RGFBSJLPYZZBCX-AGIUHOORSA-N 2 0 227.396 1.434 20 0 BDADRP CSC1(C[NH2+][C@H](C)C[C@@H](C)[NH3+])CCC1 ZINC000423087714 387881601 /nfs/dbraw/zinc/88/16/01/387881601.db2.gz OTOHXJGDQCNQEV-NXEZZACHSA-N 2 0 216.394 1.988 20 0 BDADRP CCn1cccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])c1=O ZINC000423090171 387882846 /nfs/dbraw/zinc/88/28/46/387882846.db2.gz USCBETJXRPTXPS-YPMHNXCESA-N 2 0 249.358 1.085 20 0 BDADRP C[C@H]([NH2+][C@@H](CO)CCC(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000423092935 387882880 /nfs/dbraw/zinc/88/28/80/387882880.db2.gz DXLVETXJIFTYTP-RWMBFGLXSA-N 2 0 242.407 1.761 20 0 BDADRP CSC1(C[NH2+][C@H]2CCC[C@H]2[NH3+])CCC1 ZINC000423089893 387883678 /nfs/dbraw/zinc/88/36/78/387883678.db2.gz TZSWVQQZHPSCCE-ZJUUUORDSA-N 2 0 214.378 1.742 20 0 BDADRP CCC[N@H+](CC)C[C@@H](C)N[C@H](C)C1C[NH2+]C1 ZINC000423141746 387917948 /nfs/dbraw/zinc/91/79/48/387917948.db2.gz ROVWLSCEIBYKAZ-VXGBXAGGSA-N 2 0 227.396 1.304 20 0 BDADRP COc1ncccc1CC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000423142078 387917993 /nfs/dbraw/zinc/91/79/93/387917993.db2.gz TXFBXJKSOHMGBE-ZDUSSCGKSA-N 2 0 249.358 1.364 20 0 BDADRP CO[C@H](C[NH2+][C@@H](C)C[C@@H](C)[NH3+])C1CC1 ZINC000423140211 387918334 /nfs/dbraw/zinc/91/83/34/387918334.db2.gz XTJUASFWGWLQJS-WCABBAIRSA-N 2 0 200.326 1.127 20 0 BDADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc[nH]c(=O)c1 ZINC000423139854 387918792 /nfs/dbraw/zinc/91/87/92/387918792.db2.gz WQJMCSYGFCLILZ-KYTZWMPUSA-N 2 0 247.342 1.721 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCCSC1)[C@H]1CCC[NH2+]1 ZINC000423121760 387900804 /nfs/dbraw/zinc/90/08/04/387900804.db2.gz IVLLSZTVJVCXQI-IJLUTSLNSA-N 2 0 228.405 1.860 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])C1CC1 ZINC000423126076 387904818 /nfs/dbraw/zinc/90/48/18/387904818.db2.gz APFCDQNFECNUPZ-RWMBFGLXSA-N 2 0 226.364 1.661 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000423127278 387904983 /nfs/dbraw/zinc/90/49/83/387904983.db2.gz PDYUPKCQRXAKHO-DGAVXFQQSA-N 2 0 240.391 1.502 20 0 BDADRP CCCC[N@H+](C)C[C@@H](C)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000423130509 387907240 /nfs/dbraw/zinc/90/72/40/387907240.db2.gz YRSJHVGCJQBQLX-FRRDWIJNSA-N 2 0 229.412 1.822 20 0 BDADRP COc1ccncc1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000423130586 387907402 /nfs/dbraw/zinc/90/74/02/387907402.db2.gz MXMMVOZSPMCPBB-UHFFFAOYSA-N 2 0 249.358 1.697 20 0 BDADRP CCCC[N@H+](C)C[C@@H](C)N[C@H](C)C[C@H](C)[NH3+] ZINC000423130714 387907632 /nfs/dbraw/zinc/90/76/32/387907632.db2.gz YRSJHVGCJQBQLX-YNEHKIRRSA-N 2 0 229.412 1.822 20 0 BDADRP C[C@H](F)CC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000423131762 387909578 /nfs/dbraw/zinc/90/95/78/387909578.db2.gz ILXQYKAYUCXGMR-GARJFASQSA-N 2 0 202.317 1.842 20 0 BDADRP COc1ncccc1CC[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000423132109 387909633 /nfs/dbraw/zinc/90/96/33/387909633.db2.gz BNQJDYJFNYSNNA-NEPJUHHUSA-N 2 0 235.331 1.102 20 0 BDADRP COCC(C)(C)C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000423136200 387913117 /nfs/dbraw/zinc/91/31/17/387913117.db2.gz UVTAUYYHJDILQU-ZJUUUORDSA-N 2 0 202.342 1.374 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](CO)C2CC2)c2ccccc21 ZINC000423135231 387914135 /nfs/dbraw/zinc/91/41/35/387914135.db2.gz FRLTXBSWDPRAIZ-GLQYFDAESA-N 2 0 246.354 1.739 20 0 BDADRP CC[C@H](C[NH2+][C@H]1CCCCC[C@H]1[NH3+])OC ZINC000423135757 387914554 /nfs/dbraw/zinc/91/45/54/387914554.db2.gz GMHWHMABMWUBOK-UTUOFQBUSA-N 2 0 214.353 1.661 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@H](CO)C1CCCCC1 ZINC000423138796 387916653 /nfs/dbraw/zinc/91/66/53/387916653.db2.gz UDTLETZVNUDORD-MCIONIFRSA-N 2 0 240.391 1.645 20 0 BDADRP Cc1cccnc1CC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423151323 387929961 /nfs/dbraw/zinc/92/99/61/387929961.db2.gz JUXFHOYPGMTSTR-UONOGXRCSA-N 2 0 247.386 1.910 20 0 BDADRP Cc1cccnc1CC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000423151322 387930588 /nfs/dbraw/zinc/93/05/88/387930588.db2.gz JUXFHOYPGMTSTR-KGLIPLIRSA-N 2 0 247.386 1.910 20 0 BDADRP CCc1ncc(C[NH2+][C@@H](C)CCCC[NH3+])o1 ZINC000423154020 387931384 /nfs/dbraw/zinc/93/13/84/387931384.db2.gz IMKQJEYXEIOGQM-JTQLQIEISA-N 2 0 225.336 1.844 20 0 BDADRP C[NH+]1CCC(CC[NH2+]Cc2cncnc2)CC1 ZINC000105454124 387933532 /nfs/dbraw/zinc/93/35/32/387933532.db2.gz CLYSNRGJDJWSRT-UHFFFAOYSA-N 2 0 234.347 1.298 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000423156824 387936834 /nfs/dbraw/zinc/93/68/34/387936834.db2.gz LQJWBEFMQNKYAY-UPJWGTAASA-N 2 0 228.380 1.515 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000423144762 387921273 /nfs/dbraw/zinc/92/12/73/387921273.db2.gz HWFNWFRVCCOKRO-WYUUTHIRSA-N 2 0 214.328 1.984 20 0 BDADRP C[C@H](CCO)CC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000423146087 387923240 /nfs/dbraw/zinc/92/32/40/387923240.db2.gz NYGHVQLTIXOAES-XQQFMLRXSA-N 2 0 228.380 1.373 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@@H](CO)C1CC1 ZINC000423144855 387923306 /nfs/dbraw/zinc/92/33/06/387923306.db2.gz ZRBQPCLHNQZGCL-YNEHKIRRSA-N 2 0 226.364 1.255 20 0 BDADRP CCC[C@H](C[NH2+][C@H]1CCC[C@H]1[NH3+])OC ZINC000423146407 387923715 /nfs/dbraw/zinc/92/37/15/387923715.db2.gz PDUTVKKRORFNNN-MXWKQRLJSA-N 2 0 200.326 1.271 20 0 BDADRP Cc1csc(C[NH2+][C@@H](C)C2C[NH2+]C2)c1 ZINC000423147048 387924244 /nfs/dbraw/zinc/92/42/44/387924244.db2.gz BWBLLTAVQZPSIE-VIFPVBQESA-N 2 0 210.346 1.754 20 0 BDADRP Cc1cccnc1CC[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423146863 387924794 /nfs/dbraw/zinc/92/47/94/387924794.db2.gz BJVWHPPRDFEUMF-RYUDHWBXSA-N 2 0 221.348 1.648 20 0 BDADRP CC(C)[C@@H]1C[C@H]1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000423149794 387926979 /nfs/dbraw/zinc/92/69/79/387926979.db2.gz IBQBUEXRZXPLSK-CYDGBPFRSA-N 2 0 210.365 1.996 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])[C@H](O)C(F)F ZINC000423152135 387929170 /nfs/dbraw/zinc/92/91/70/387929170.db2.gz DPZZYDCGAZJGEO-GUBZILKMSA-N 2 0 238.322 1.498 20 0 BDADRP COc1cccc2c1C[C@H]([NH2+][C@H](C)C1C[NH2+]C1)C2 ZINC000423167424 387951914 /nfs/dbraw/zinc/95/19/14/387951914.db2.gz FDDPIVZZRDWGQE-ZWNOBZJWSA-N 2 0 246.354 1.360 20 0 BDADRP COc1cccc2c1C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)C2 ZINC000423167423 387952147 /nfs/dbraw/zinc/95/21/47/387952147.db2.gz FDDPIVZZRDWGQE-MFKMUULPSA-N 2 0 246.354 1.360 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000423167471 387953013 /nfs/dbraw/zinc/95/30/13/387953013.db2.gz WSKKRJKITNHRSL-YNEHKIRRSA-N 2 0 226.364 1.615 20 0 BDADRP COCCC[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424287066 387953423 /nfs/dbraw/zinc/95/34/23/387953423.db2.gz IIWOIHUKVGECBH-GFCCVEGCSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000423168475 387954219 /nfs/dbraw/zinc/95/42/19/387954219.db2.gz XZTCFHUNCSWIKR-XJFOESAGSA-N 2 0 240.391 1.515 20 0 BDADRP COc1cccc2c1C[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])C2 ZINC000423170002 387955143 /nfs/dbraw/zinc/95/51/43/387955143.db2.gz KZLKOMMEDWTRQT-DMDPSCGWSA-N 2 0 248.370 1.878 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000423169535 387955574 /nfs/dbraw/zinc/95/55/74/387955574.db2.gz WHKULIODEWWCCI-NLCNOVPZSA-N 2 0 224.348 1.427 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423158606 387939351 /nfs/dbraw/zinc/93/93/51/387939351.db2.gz OIQPJEOKJAKADD-FRRDWIJNSA-N 2 0 228.380 1.645 20 0 BDADRP C[C@@H]1CCNC[C@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000423160457 387941121 /nfs/dbraw/zinc/94/11/21/387941121.db2.gz HITONEYTTRXRIY-TZMCWYRMSA-N 2 0 239.407 1.448 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)[C@@H]([NH3+])C2CCC2)c1 ZINC000424242372 387941414 /nfs/dbraw/zinc/94/14/14/387941414.db2.gz OSEVRPPCTVGECL-ZDUSSCGKSA-N 2 0 247.342 1.520 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@H]2CCCCC[C@H]2[NH3+])O1 ZINC000423160782 387941431 /nfs/dbraw/zinc/94/14/31/387941431.db2.gz HVONGXSCTFCEJM-LPWJVIDDSA-N 2 0 226.364 1.804 20 0 BDADRP [NH3+]CC1CCC([NH2+]C[C@@H]2CCC[C@H]2O)CC1 ZINC000423161767 387942802 /nfs/dbraw/zinc/94/28/02/387942802.db2.gz JOIDDOOSSGEZFF-PYNQCMFNSA-N 2 0 226.364 1.255 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000423162764 387942891 /nfs/dbraw/zinc/94/28/91/387942891.db2.gz PZYKIPCOHVDZGY-IGQOVBAYSA-N 2 0 240.391 1.787 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC(C)(C)C(C)(C)O ZINC000423162302 387943743 /nfs/dbraw/zinc/94/37/43/387943743.db2.gz PAFCCNYHAZZDGV-UWVGGRQHSA-N 2 0 216.369 1.499 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000423161981 387944254 /nfs/dbraw/zinc/94/42/54/387944254.db2.gz OLFKXRNXOJTZMJ-SDDRHHMPSA-N 2 0 214.353 1.255 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000423164098 387944820 /nfs/dbraw/zinc/94/48/20/387944820.db2.gz NVRVUVRGFYGISZ-MROQNXINSA-N 2 0 226.364 1.125 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCN1CC=CCC1 ZINC000392241314 387945164 /nfs/dbraw/zinc/94/51/64/387945164.db2.gz KLSKHFSDKFFDCE-UONOGXRCSA-N 2 0 237.391 1.355 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])C1 ZINC000423162971 387946792 /nfs/dbraw/zinc/94/67/92/387946792.db2.gz LYNPKAAZYPLLEX-DBIOUOCHSA-N 2 0 200.326 1.269 20 0 BDADRP CC[C@H](C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[NH3+])OC ZINC000423162892 387946835 /nfs/dbraw/zinc/94/68/35/387946835.db2.gz URQILDMWKMZKOM-YFKTTZPYSA-N 2 0 214.353 1.517 20 0 BDADRP COCC[C@H](C)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423165604 387948044 /nfs/dbraw/zinc/94/80/44/387948044.db2.gz BGUSJERKBAFARG-TUAOUCFPSA-N 2 0 214.353 1.389 20 0 BDADRP CC(C)n1cncc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000392277617 387949253 /nfs/dbraw/zinc/94/92/53/387949253.db2.gz PDZIJGCUEYGSLD-UHFFFAOYSA-N 2 0 248.374 1.816 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CC[C@@H](C)O1 ZINC000423166164 387950439 /nfs/dbraw/zinc/95/04/39/387950439.db2.gz QTLQKQVXHIDEJV-MMWGEVLESA-N 2 0 200.326 1.269 20 0 BDADRP CC[C@H](O)[C@H](CC)[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000423168214 387951626 /nfs/dbraw/zinc/95/16/26/387951626.db2.gz XRNAWZRCIIRLIA-RCWTZXSCSA-N 2 0 202.342 1.251 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000423172953 387959968 /nfs/dbraw/zinc/95/99/68/387959968.db2.gz WCLFXXPBXNESNO-MCIONIFRSA-N 3 0 239.407 1.435 20 0 BDADRP CO[C@@H]1C[C@@H]([NH2+][C@H](C)C2C[NH2+]C2)C12CCC2 ZINC000423172789 387960190 /nfs/dbraw/zinc/96/01/90/387960190.db2.gz VGENCBOOCHAKQR-YUSALJHKSA-N 2 0 224.348 1.142 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+]C2CCC(C[NH3+])CC2)[C@@H](C)O1 ZINC000423176926 387962531 /nfs/dbraw/zinc/96/25/31/387962531.db2.gz GPKQJKYXUCUEGB-WCCYQHBJSA-N 2 0 240.391 1.907 20 0 BDADRP CC[N@H+]1C[C@H](NCC2([NH3+])CCCCC2)[C@@H](C)C1 ZINC000423179881 387966282 /nfs/dbraw/zinc/96/62/82/387966282.db2.gz MRUGVSCJBKOMFX-STQMWFEESA-N 2 0 239.407 1.578 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)CS1 ZINC000423183547 387968530 /nfs/dbraw/zinc/96/85/30/387968530.db2.gz MOPVDDHFZMDUNR-WHOHXGKFSA-N 2 0 228.405 1.858 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000423183558 387968936 /nfs/dbraw/zinc/96/89/36/387968936.db2.gz MPLAELQRWAOFAZ-LNFKQOIKSA-N 2 0 208.305 1.851 20 0 BDADRP CC[C@H]([NH2+]CCCN1CC[NH2+]CC1)[C@@H]1C[C@H]1C ZINC000423185836 387968982 /nfs/dbraw/zinc/96/89/82/387968982.db2.gz NRFAVJAPJUNEQW-MCIONIFRSA-N 2 0 239.407 1.306 20 0 BDADRP CCCCO[C@H]1C[C@H]([NH2+]CCC[NH3+])C1(C)C ZINC000423186059 387971327 /nfs/dbraw/zinc/97/13/27/387971327.db2.gz JWWRLUOHYKBDME-RYUDHWBXSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@H](NCC[N@@H+]1CCCC1(C)C)[C@H]1CCC[NH2+]1 ZINC000423170394 387957043 /nfs/dbraw/zinc/95/70/43/387957043.db2.gz XYFMNDQJRZYKBO-QWHCGFSZSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H](Cc1cnccn1)[NH2+]CCC[NH+]1CCCC1 ZINC000453072586 387978870 /nfs/dbraw/zinc/97/88/70/387978870.db2.gz DOHCTPQEVVNMKR-ZDUSSCGKSA-N 2 0 248.374 1.483 20 0 BDADRP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CCC[NH3+] ZINC000423190023 387974069 /nfs/dbraw/zinc/97/40/69/387974069.db2.gz NESLCJZIGLHLHK-WDEREUQCSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@H]([NH3+])[C@H](C)c1nc(C2([NH3+])CCCCC2)no1 ZINC000424340737 387981721 /nfs/dbraw/zinc/98/17/21/387981721.db2.gz HITHXXVGQQYIKN-IUCAKERBSA-N 2 0 238.335 1.638 20 0 BDADRP COCC1CCC([NH2+][C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000423192863 387978466 /nfs/dbraw/zinc/97/84/66/387978466.db2.gz VFCZMKIGCWGFBS-FKZOYECMSA-N 2 0 240.391 1.909 20 0 BDADRP C[NH2+]CCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423201811 387988182 /nfs/dbraw/zinc/98/81/82/387988182.db2.gz PRMSPBSHIPKOAE-HZSPNIEDSA-N 2 0 239.407 1.496 20 0 BDADRP CC(C)=CCC[C@@H](C)[NH2+]CCN1CC[NH2+]CC1 ZINC000423200655 387988430 /nfs/dbraw/zinc/98/84/30/387988430.db2.gz GEJAMMPQKQNTEV-CQSZACIVSA-N 2 0 239.407 1.616 20 0 BDADRP C[NH2+]CCCN[C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423202545 387989216 /nfs/dbraw/zinc/98/92/16/387989216.db2.gz QYTXJRBTRWSXLG-TZMCWYRMSA-N 2 0 235.375 1.144 20 0 BDADRP COC(=O)C(C)(C)CC[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424364906 387990262 /nfs/dbraw/zinc/99/02/62/387990262.db2.gz FLLLPTDMDXOEDQ-GHMZBOCLSA-N 2 0 242.363 1.435 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@H]1C ZINC000423205010 387990629 /nfs/dbraw/zinc/99/06/29/387990629.db2.gz VAXQFKLIUXATQX-GRYCIOLGSA-N 2 0 242.363 1.163 20 0 BDADRP C1C[C@@H](N[C@H]2CC[NH2+]C2)[C@H]([C@H]2CCCC[NH2+]2)C1 ZINC000423206747 387992116 /nfs/dbraw/zinc/99/21/16/387992116.db2.gz CUVQIXFCDNVPEE-IGQOVBAYSA-N 2 0 237.391 1.249 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@H]1C ZINC000423205011 387992247 /nfs/dbraw/zinc/99/22/47/387992247.db2.gz VAXQFKLIUXATQX-IJLUTSLNSA-N 2 0 242.363 1.163 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1NCC1([NH3+])CCCCCC1 ZINC000423208505 387993712 /nfs/dbraw/zinc/99/37/12/387993712.db2.gz YVYIWNNEGVLBLP-QWHCGFSZSA-N 2 0 239.407 1.755 20 0 BDADRP CC[C@H]([NH2+]CCN1CC[NH2+]CC1)C1CCC1 ZINC000423210772 387995297 /nfs/dbraw/zinc/99/52/97/387995297.db2.gz XHYFOVGAJSPJIO-ZDUSSCGKSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2[NH3+])CS1 ZINC000423196146 387982027 /nfs/dbraw/zinc/98/20/27/387982027.db2.gz ZBNCHCXPMSAESG-KATARQTJSA-N 2 0 200.351 1.350 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NCC1([NH3+])CCCCCC1 ZINC000423198368 387984421 /nfs/dbraw/zinc/98/44/21/387984421.db2.gz FNMSNCBTSIOOAL-RYUDHWBXSA-N 2 0 227.396 1.754 20 0 BDADRP CCC[C@H]([NH2+]CCN1CC[NH2+]CC1)C1CCC1 ZINC000423200418 387986709 /nfs/dbraw/zinc/98/67/09/387986709.db2.gz FMNIDYHXZYKZFF-AWEZNQCLSA-N 2 0 239.407 1.450 20 0 BDADRP C[C@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]1 ZINC000423213599 387997788 /nfs/dbraw/zinc/99/77/88/387997788.db2.gz KAVDDINJOACRDF-ZDEQEGDKSA-N 2 0 225.380 1.105 20 0 BDADRP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423216598 388000400 /nfs/dbraw/zinc/00/04/00/388000400.db2.gz RWTGPVVEYPTMTG-MELADBBJSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CCC1)C1C[NH2+]C1 ZINC000424385905 388000842 /nfs/dbraw/zinc/00/08/42/388000842.db2.gz WXPBWSCRTBAETD-CDMKHQONSA-N 2 0 208.349 1.620 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](O)C2(C)C)[C@@H](C)C1 ZINC000245992389 388001269 /nfs/dbraw/zinc/00/12/69/388001269.db2.gz QXJYHZGGAVSNPG-RVMXOQNASA-N 2 0 240.391 1.466 20 0 BDADRP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000246061459 388005274 /nfs/dbraw/zinc/00/52/74/388005274.db2.gz ZEQLVQKLKQDWLQ-QNWHQSFQSA-N 2 0 238.375 1.362 20 0 BDADRP CCn1cc([C@@H](C)[NH2+]CC[C@H](C)[NH3+])cn1 ZINC000423226149 388008783 /nfs/dbraw/zinc/00/87/83/388008783.db2.gz PPIXAGMHGOONEH-VHSXEESVSA-N 2 0 210.325 1.291 20 0 BDADRP C[C@H](NC[C@H]([NH3+])c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000423241585 388024882 /nfs/dbraw/zinc/02/48/82/388024882.db2.gz DHXWAKYHQVPOKZ-FPMFFAJLSA-N 2 0 233.359 1.417 20 0 BDADRP CC(C)c1nccc(N[C@H]2CCC[C@@H]2[NH+](C)C)n1 ZINC000439658156 388012389 /nfs/dbraw/zinc/01/23/89/388012389.db2.gz LBATWFMHGDBBQL-RYUDHWBXSA-N 2 0 248.374 1.917 20 0 BDADRP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1cccc(O)c1 ZINC000423228109 388013130 /nfs/dbraw/zinc/01/31/30/388013130.db2.gz YDXKIZPGYKUXKY-VHSXEESVSA-N 2 0 208.305 1.780 20 0 BDADRP CCN(CC[NH2+][C@@H](C)CCOC)C(C)C ZINC000156640802 388013567 /nfs/dbraw/zinc/01/35/67/388013567.db2.gz YBXSHBKZMKOMAG-LBPRGKRZSA-N 2 0 216.369 1.731 20 0 BDADRP C[NH2+]CCCN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156650151 388015777 /nfs/dbraw/zinc/01/57/77/388015777.db2.gz RDUYKMCPYUXVCS-VXGBXAGGSA-N 2 0 213.369 1.010 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@@H]([NH3+])c1ccccc1 ZINC000423233608 388019412 /nfs/dbraw/zinc/01/94/12/388019412.db2.gz DVEWCZDDYQWVNT-BNOWGMLFSA-N 2 0 233.359 1.226 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)[C@H]1CCCC[NH2+]1 ZINC000423238448 388022174 /nfs/dbraw/zinc/02/21/74/388022174.db2.gz AKEWJBHMQKWAEU-RWMBFGLXSA-N 3 0 225.380 1.106 20 0 BDADRP C[C@@H]1C[C@@H](NC[C@H]([NH3+])c2ccccc2)CC[N@@H+]1C ZINC000423253655 388034985 /nfs/dbraw/zinc/03/49/85/388034985.db2.gz ZGUCUVSIMQVVQP-SNPRPXQTSA-N 2 0 247.386 1.759 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1NC[C@@H]([NH3+])c1ccccc1 ZINC000423254584 388035118 /nfs/dbraw/zinc/03/51/18/388035118.db2.gz YOWGDDSIFNXSKR-MJBXVCDLSA-N 2 0 233.359 1.403 20 0 BDADRP C[NH+](C)C[C@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC000450405332 388035265 /nfs/dbraw/zinc/03/52/65/388035265.db2.gz QFCKBQTZHMXFKH-SNVBAGLBSA-N 2 0 232.318 1.915 20 0 BDADRP CC(C)C[C@H](C[NH3+])N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000423262887 388040291 /nfs/dbraw/zinc/04/02/91/388040291.db2.gz NPWWXQQTTWOGQB-MJBXVCDLSA-N 2 0 239.407 1.576 20 0 BDADRP COC[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)C1CCCC1 ZINC000423263253 388040312 /nfs/dbraw/zinc/04/03/12/388040312.db2.gz ANFOEDWXLZCSFB-CHWSQXEVSA-N 2 0 228.380 1.765 20 0 BDADRP CCOC[C@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446883691 388041394 /nfs/dbraw/zinc/04/13/94/388041394.db2.gz JJXQNBHWMKSFNB-LBPRGKRZSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)[C@H]1CCOC1 ZINC000423264756 388041833 /nfs/dbraw/zinc/04/18/33/388041833.db2.gz YWSJNTSXXFXXRZ-RDBSUJKOSA-N 2 0 240.391 1.781 20 0 BDADRP CC[C@@H](C)[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000453275564 388030456 /nfs/dbraw/zinc/03/04/56/388030456.db2.gz WYQMJBHGKNDIQY-VXGBXAGGSA-N 2 0 214.353 1.221 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@@H]([NH3+])c1ccccc1 ZINC000423249333 388031949 /nfs/dbraw/zinc/03/19/49/388031949.db2.gz ORRZXNSMHJUKDK-RRFJBIMHSA-N 2 0 247.386 1.794 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1ccncc1F ZINC000423272187 388051611 /nfs/dbraw/zinc/05/16/11/388051611.db2.gz JMMWOUQKIYNZGT-OPQQBVKSSA-N 2 0 237.322 1.999 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1cncc(C)c1 ZINC000423272022 388051652 /nfs/dbraw/zinc/05/16/52/388051652.db2.gz JOAOCHVYRMXZRV-VXGBXAGGSA-N 2 0 221.348 1.896 20 0 BDADRP C[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])[C@H]1CCC[NH2+]1 ZINC000423274089 388053446 /nfs/dbraw/zinc/05/34/46/388053446.db2.gz JUGYDUFAUOPDCR-WUHRBBMRSA-N 2 0 225.380 1.234 20 0 BDADRP C[C@H](N[C@H]1CCCC[C@H]1C[NH3+])[C@@H]1CCC[NH2+]1 ZINC000423274083 388053641 /nfs/dbraw/zinc/05/36/41/388053641.db2.gz JUGYDUFAUOPDCR-CYDGBPFRSA-N 2 0 225.380 1.234 20 0 BDADRP CC[C@H](NC[C@@H](C)C[NH2+]C)[C@H]1CCCC[NH2+]1 ZINC000423272898 388053793 /nfs/dbraw/zinc/05/37/93/388053793.db2.gz KFRAHJJCMQTLBK-RWMBFGLXSA-N 2 0 227.396 1.352 20 0 BDADRP CC[C@H](NC[C@H](C)C[NH2+]C)[C@H]1CCCC[NH2+]1 ZINC000423272897 388054065 /nfs/dbraw/zinc/05/40/65/388054065.db2.gz KFRAHJJCMQTLBK-FRRDWIJNSA-N 2 0 227.396 1.352 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)[C@@H]1CCCC[NH2+]1 ZINC000423275216 388056861 /nfs/dbraw/zinc/05/68/61/388056861.db2.gz MXMAMTUOJHTFFA-MCIONIFRSA-N 3 0 239.407 1.496 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000453362445 388059212 /nfs/dbraw/zinc/05/92/12/388059212.db2.gz RFFNKVPHQKLESH-SYQHCUMBSA-N 2 0 240.391 1.467 20 0 BDADRP CC[N@H+]1C[C@H](NCC([NH3+])(CC)CC)[C@@H](C)C1 ZINC000423283954 388066858 /nfs/dbraw/zinc/06/68/58/388066858.db2.gz GCXAEIMMSNYOCX-RYUDHWBXSA-N 2 0 227.396 1.434 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1cnccc1N ZINC000423283969 388066894 /nfs/dbraw/zinc/06/68/94/388066894.db2.gz XVBQHBPIWLMFBR-RYUDHWBXSA-N 2 0 248.374 1.534 20 0 BDADRP C[NH2+]C[C@H](C)CN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000423284723 388067357 /nfs/dbraw/zinc/06/73/57/388067357.db2.gz YXEBIYSAICNFCG-SRVKXCTJSA-N 2 0 213.369 1.092 20 0 BDADRP CC[N@@H+]1C[C@H](C)[C@H](NCC([NH3+])(CC)CC)C1 ZINC000423283953 388067399 /nfs/dbraw/zinc/06/73/99/388067399.db2.gz GCXAEIMMSNYOCX-NWDGAFQWSA-N 2 0 227.396 1.434 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccncn1 ZINC000423285231 388068687 /nfs/dbraw/zinc/06/86/87/388068687.db2.gz YBCLJHNAQJGQOR-GMXVVIOVSA-N 2 0 234.347 1.645 20 0 BDADRP C[C@@H]1CC[C@H](C)C[N@H+]1CCN1CC[NH2+]CC1 ZINC000084048035 388070017 /nfs/dbraw/zinc/07/00/17/388070017.db2.gz LQLUBQNFGDQOKT-QWHCGFSZSA-N 2 0 225.380 1.012 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]CC(C)(C)[NH3+])C12CCC2 ZINC000423286858 388070945 /nfs/dbraw/zinc/07/09/45/388070945.db2.gz JDGFZFKOCHIISQ-WDEREUQCSA-N 2 0 226.364 1.661 20 0 BDADRP COCC[C@H]1CCC[C@@H]1[NH2+]CC(C)(C)[NH3+] ZINC000423287697 388072968 /nfs/dbraw/zinc/07/29/68/388072968.db2.gz NWUUCBJRIZULSR-MNOVXSKESA-N 2 0 214.353 1.519 20 0 BDADRP C[C@H]([NH3+])c1ccc(CN[C@H]2CCC[C@H]2[NH3+])cc1 ZINC000423289480 388074250 /nfs/dbraw/zinc/07/42/50/388074250.db2.gz BBOTUQGKDZQYGI-GDLCADMTSA-N 2 0 233.359 1.676 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453406482 388075123 /nfs/dbraw/zinc/07/51/23/388075123.db2.gz RDCWABWWZCFEDZ-AAEUAGOBSA-N 2 0 226.364 1.628 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCc1cccnc1 ZINC000084219916 388075457 /nfs/dbraw/zinc/07/54/57/388075457.db2.gz ABSDZPVOZVRCTE-STQMWFEESA-N 2 0 219.332 1.341 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000423293574 388076480 /nfs/dbraw/zinc/07/64/80/388076480.db2.gz AFFUOLVTRRQTKA-QJPTWQEYSA-N 2 0 213.369 1.092 20 0 BDADRP Cc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000086404099 388102535 /nfs/dbraw/zinc/10/25/35/388102535.db2.gz PORCQAOWSBWJEJ-OLZOCXBDSA-N 2 0 219.332 1.750 20 0 BDADRP CCCCOCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000336661404 388103840 /nfs/dbraw/zinc/10/38/40/388103840.db2.gz JYSYGKRGQFUYRP-RWMBFGLXSA-N 2 0 226.364 1.472 20 0 BDADRP C[N@H+](CCc1cccnc1)CC(C)(C)C[NH3+] ZINC000086638547 388105947 /nfs/dbraw/zinc/10/59/47/388105947.db2.gz ZNCWFFKKHDJGSP-UHFFFAOYSA-N 2 0 221.348 1.541 20 0 BDADRP CCN1CCC[C@@H]1C[NH2+]C1CCC([NH3+])CC1 ZINC000086724910 388108294 /nfs/dbraw/zinc/10/82/94/388108294.db2.gz MCQWBMONDWRPLU-WXRRBKDZSA-N 2 0 225.380 1.330 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]([NH3+])C(C)C)C12CCC2 ZINC000423269072 388047705 /nfs/dbraw/zinc/04/77/05/388047705.db2.gz GZNIJLJAJLCHPU-RWMBFGLXSA-N 2 0 240.391 1.907 20 0 BDADRP COCCC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423272385 388050565 /nfs/dbraw/zinc/05/05/65/388050565.db2.gz HXQPIKGNTORRAS-YNEHKIRRSA-N 2 0 228.380 1.909 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@H](C)CCO)[C@@H](C)C1 ZINC000449359901 388181778 /nfs/dbraw/zinc/18/17/78/388181778.db2.gz RUSDXVGJACMTOD-IHRRRGAJSA-N 2 0 242.407 1.715 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000449119600 388145585 /nfs/dbraw/zinc/14/55/85/388145585.db2.gz AFXQGVKSFAQVRL-YPMHNXCESA-N 2 0 243.395 1.254 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000449127916 388146124 /nfs/dbraw/zinc/14/61/24/388146124.db2.gz QSNYSIKNPSOIIW-GIPNMCIBSA-N 2 0 247.342 1.500 20 0 BDADRP CCN1C[C@H](C)[C@H]([NH2+]CCC(C)(C)CO)C1 ZINC000449409999 388197289 /nfs/dbraw/zinc/19/72/89/388197289.db2.gz XNMZWDHYUUCOAB-NWDGAFQWSA-N 2 0 228.380 1.325 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000449521617 388223595 /nfs/dbraw/zinc/22/35/95/388223595.db2.gz IZLQCRPEUYXUOL-IGQOVBAYSA-N 2 0 238.375 1.770 20 0 BDADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000449589909 388238953 /nfs/dbraw/zinc/23/89/53/388238953.db2.gz KNZDLKUYDJVKKA-BJDJZHNGSA-N 2 0 241.379 1.136 20 0 BDADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000449597076 388239392 /nfs/dbraw/zinc/23/93/92/388239392.db2.gz YQEBIFGUYBKMOU-MRBYEJRBSA-N 2 0 249.358 1.174 20 0 BDADRP C[NH+](C)CCOCC[NH2+][C@H]1CCCSC1 ZINC000234264960 388354120 /nfs/dbraw/zinc/35/41/20/388354120.db2.gz SZIVKIOLNKQEHC-NSHDSACASA-N 2 0 232.393 1.050 20 0 BDADRP COc1ccc([C@H](C)N[C@H](C)C[NH3+])cc1 ZINC000234860215 388361873 /nfs/dbraw/zinc/36/18/73/388361873.db2.gz DULSQTVJHMXLLP-ZJUUUORDSA-N 2 0 208.305 1.693 20 0 BDADRP CO[C@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000234858550 388361883 /nfs/dbraw/zinc/36/18/83/388361883.db2.gz GAVNNBOVMAFDKT-LBPRGKRZSA-N 2 0 212.337 1.097 20 0 BDADRP CC(C)([NH3+])CNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000572619063 388361914 /nfs/dbraw/zinc/36/19/14/388361914.db2.gz JVGHYCROPGADLA-LBPRGKRZSA-N 2 0 249.358 1.320 20 0 BDADRP COC[C@@H](C)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000163539202 388364178 /nfs/dbraw/zinc/36/41/78/388364178.db2.gz AFODEZAYXPQUHN-QWRGUYRKSA-N 2 0 214.353 1.328 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H](O)C1CCC1 ZINC000316092870 388406014 /nfs/dbraw/zinc/40/60/14/388406014.db2.gz BMICRERHZPOPRA-RAIGVLPGSA-N 2 0 226.364 1.077 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H](O)C1CCC1 ZINC000316092875 388406024 /nfs/dbraw/zinc/40/60/24/388406024.db2.gz BMICRERHZPOPRA-WXHSDQCUSA-N 2 0 226.364 1.077 20 0 BDADRP C[N@H+](CCOCC[NH3+])C[C@H]1CCC(F)(F)C1 ZINC000300936983 388391720 /nfs/dbraw/zinc/39/17/20/388391720.db2.gz CUGXWOWJBZFQTR-JTQLQIEISA-N 2 0 236.306 1.329 20 0 BDADRP C[C@@H](C[NH2+][C@@H]1CCOC1(C)C)C[NH+](C)C ZINC000336901792 388441582 /nfs/dbraw/zinc/44/15/82/388441582.db2.gz SWUKTWPQCDEHED-WDEREUQCSA-N 2 0 214.353 1.341 20 0 BDADRP CC[C@H]([NH2+][C@H](C)CCC[NH3+])C(C)(C)O ZINC000394018300 388449307 /nfs/dbraw/zinc/44/93/07/388449307.db2.gz VHAKFEAZXMRLQZ-ZJUUUORDSA-N 2 0 202.342 1.253 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](CCc2cccnc2)C[C@@H]1C[NH3+] ZINC000397264849 388455584 /nfs/dbraw/zinc/45/55/84/388455584.db2.gz ISELQNXNDRMBPI-IPYPFGDCSA-N 2 0 247.386 1.929 20 0 BDADRP FCCCCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000336708152 388466385 /nfs/dbraw/zinc/46/63/85/388466385.db2.gz SFZOYSQIGCXSMR-VXGBXAGGSA-N 2 0 214.328 1.668 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]Cc1cccc2cccnc21 ZINC000336727731 388469950 /nfs/dbraw/zinc/46/99/50/388469950.db2.gz WECQTNCMUPHJBU-LLVKDONJSA-N 2 0 229.327 1.919 20 0 BDADRP CC(C)[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)C1CC1 ZINC000573108948 388420984 /nfs/dbraw/zinc/42/09/84/388420984.db2.gz NDIGGFJMSRLUJS-CHWSQXEVSA-N 2 0 226.364 1.389 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000166363761 388426760 /nfs/dbraw/zinc/42/67/60/388426760.db2.gz BKOLJGLGUGIYEB-RYUDHWBXSA-N 2 0 228.380 1.467 20 0 BDADRP Cc1cc(CC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])on1 ZINC000573197674 388430961 /nfs/dbraw/zinc/43/09/61/388430961.db2.gz SEBFXEPYONPLHE-WCQYABFASA-N 2 0 237.347 1.633 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](CO)CC(C)(C)C ZINC000393520347 388432258 /nfs/dbraw/zinc/43/22/58/388432258.db2.gz OSHWAGJLGFIJLQ-NWDGAFQWSA-N 2 0 246.395 1.127 20 0 BDADRP CSC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000517127824 388538526 /nfs/dbraw/zinc/53/85/26/388538526.db2.gz PIEGYJCWUBBEPD-IJLUTSLNSA-N 2 0 246.420 1.173 20 0 BDADRP C[NH2+]CCC[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000516469830 256778247 /nfs/dbraw/zinc/77/82/47/256778247.db2.gz UZUWPDYXLCDMJD-ZDUSSCGKSA-N 2 0 219.332 1.480 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CC[C@H](C)CCO ZINC000397722128 388494554 /nfs/dbraw/zinc/49/45/54/388494554.db2.gz KRAQKKGYKYNKFM-NWDGAFQWSA-N 2 0 216.369 1.502 20 0 BDADRP C[C@H](CCO)CC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000397787270 388498636 /nfs/dbraw/zinc/49/86/36/388498636.db2.gz RDUAVVDWTREICH-AVGNSLFASA-N 2 0 228.380 1.502 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CSC[C@H]1C ZINC000398012111 388514678 /nfs/dbraw/zinc/51/46/78/388514678.db2.gz ZBEBQTXSNVTIPP-BBBLOLIVSA-N 2 0 202.367 1.455 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+]C[C@@H]2CCC[NH2+]C2)O1 ZINC000398025398 388514993 /nfs/dbraw/zinc/51/49/93/388514993.db2.gz AEOOEKWGGWYMHC-UTUOFQBUSA-N 2 0 212.337 1.143 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)[C@H]2CCCCC[NH2+]2)cc1 ZINC000517539695 388552052 /nfs/dbraw/zinc/55/20/52/388552052.db2.gz WPXXLRGHFVPECZ-CYBMUJFWSA-N 2 0 247.342 1.616 20 0 BDADRP CC1CC([NH2+]CCCN2CCC[N@H+](C)CC2)C1 ZINC000184346555 388576592 /nfs/dbraw/zinc/57/65/92/388576592.db2.gz NLITWVKHQOGMKS-UHFFFAOYSA-N 2 0 239.407 1.402 20 0 BDADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCCO)C1 ZINC000081572816 388583977 /nfs/dbraw/zinc/58/39/77/388583977.db2.gz WEVHZMRQAAKIKG-GFCCVEGCSA-N 2 0 214.353 1.033 20 0 BDADRP CC[NH+](CC)CCC[N@H+](CCO)C(C)C ZINC000191777467 388670320 /nfs/dbraw/zinc/67/03/20/388670320.db2.gz ITIOOBGFKXHKSN-UHFFFAOYSA-N 2 0 216.369 1.421 20 0 BDADRP CC[NH+](CC)CCC[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000191816588 388670483 /nfs/dbraw/zinc/67/04/83/388670483.db2.gz QPPZVSCGZFRGRE-KBPBESRZSA-N 2 0 242.407 1.811 20 0 BDADRP CO[C@@H](C)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000248421417 388678357 /nfs/dbraw/zinc/67/83/57/388678357.db2.gz MGQNXKAREBZZKD-QWHCGFSZSA-N 2 0 228.380 1.828 20 0 BDADRP CCN1CC[C@H]([NH2+][C@H](C)C[S@](C)=O)[C@@H](C)C1 ZINC000248443736 388680142 /nfs/dbraw/zinc/68/01/42/388680142.db2.gz BFEYKUZOITUWDF-BUWBCJGYSA-N 2 0 246.420 1.073 20 0 BDADRP C[C@H](C[NH2+][C@H]1CCC[C@H]1[NH3+])c1ccncc1 ZINC000530218793 388631601 /nfs/dbraw/zinc/63/16/01/388631601.db2.gz HFHWUOGHJOJVLP-RTXFEEFZSA-N 2 0 219.332 1.655 20 0 BDADRP COc1ccc(CC[NH2+][C@H]2CCC[C@H]2C[NH3+])cn1 ZINC000530221973 388632868 /nfs/dbraw/zinc/63/28/68/388632868.db2.gz QCLVIDDQOSWHOD-STQMWFEESA-N 2 0 249.358 1.350 20 0 BDADRP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000530222901 388634052 /nfs/dbraw/zinc/63/40/52/388634052.db2.gz IJOYYXJGFIUABG-ASHHDVGLSA-N 2 0 226.364 1.658 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)N[C@H]1CC[NH2+]C12CCC2 ZINC000530242273 388638164 /nfs/dbraw/zinc/63/81/64/388638164.db2.gz BCAQBNRDSUXRLQ-AGIUHOORSA-N 2 0 237.391 1.391 20 0 BDADRP C[C@@H](C[NH2+]CC(C)(C)[NH3+])c1ccncc1 ZINC000530244533 388639128 /nfs/dbraw/zinc/63/91/28/388639128.db2.gz MBYWXHNDQWTPOO-JTQLQIEISA-N 2 0 207.321 1.512 20 0 BDADRP COC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000223209171 388649692 /nfs/dbraw/zinc/64/96/92/388649692.db2.gz AJCQAEFGJDTUQY-CHWSQXEVSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@@H]1C[C@H](NC[C@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000246806336 388652449 /nfs/dbraw/zinc/65/24/49/388652449.db2.gz AJSCCWPJWGCKSV-JHJVBQTASA-N 2 0 225.380 1.153 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCOC1 ZINC000246866861 388653633 /nfs/dbraw/zinc/65/36/33/388653633.db2.gz DEOBRWRSTKWYAF-XQQFMLRXSA-N 2 0 238.375 1.485 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(C)CCCO2)[C@@H](C)C1 ZINC000247144074 388660141 /nfs/dbraw/zinc/66/01/41/388660141.db2.gz RBHQNCPZKRRJDY-MELADBBJSA-N 2 0 240.391 1.875 20 0 BDADRP COC[C@@H](C)[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000224221448 388662160 /nfs/dbraw/zinc/66/21/60/388662160.db2.gz HHTNNGLKCPWQDP-XQQFMLRXSA-N 2 0 228.380 1.922 20 0 BDADRP Cc1c[nH+]ccc1N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227076251 388739753 /nfs/dbraw/zinc/73/97/53/388739753.db2.gz SCHDLDGDOFEOFN-WDEREUQCSA-N 2 0 205.305 1.564 20 0 BDADRP CC[C@H]([NH2+]CCN1CCCCC1)[C@H]1CCOC1 ZINC000128269035 388743675 /nfs/dbraw/zinc/74/36/75/388743675.db2.gz QWOTYKGFETVFMJ-KBPBESRZSA-N 2 0 240.391 1.877 20 0 BDADRP COC[C@H](C)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251015127 388743827 /nfs/dbraw/zinc/74/38/27/388743827.db2.gz WBANXAPLUPMFLU-GARJFASQSA-N 2 0 200.326 1.081 20 0 BDADRP COC1(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)CCC1 ZINC000227493188 388752152 /nfs/dbraw/zinc/75/21/52/388752152.db2.gz DRMIWBRHKDNQHF-YNEHKIRRSA-N 2 0 240.391 1.874 20 0 BDADRP CC[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000126350724 388694803 /nfs/dbraw/zinc/69/48/03/388694803.db2.gz JEFBUAAHNVGYDD-KBPBESRZSA-N 2 0 240.391 1.733 20 0 BDADRP CCCN(C(=O)CC[C@@H](C)[NH3+])C1CC[NH2+]CC1 ZINC000193290231 388699132 /nfs/dbraw/zinc/69/91/32/388699132.db2.gz BHPSTEZZTBJGSI-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000249163162 388711216 /nfs/dbraw/zinc/71/12/16/388711216.db2.gz ZPGBZRCKPWKFRT-UPJWGTAASA-N 2 0 226.364 1.343 20 0 BDADRP CC[C@@](C)(O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000249387304 388719514 /nfs/dbraw/zinc/71/95/14/388719514.db2.gz QEDCZNFWWCYMOQ-NWDGAFQWSA-N 2 0 214.353 1.031 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](C)COC)C1 ZINC000249777394 388732865 /nfs/dbraw/zinc/73/28/65/388732865.db2.gz KPRBEUSLXYOFIO-QWHCGFSZSA-N 2 0 228.380 1.543 20 0 BDADRP CCOC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000230062694 388811244 /nfs/dbraw/zinc/81/12/44/388811244.db2.gz UXCBOZMQNSOWME-CHWSQXEVSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000228075552 388768479 /nfs/dbraw/zinc/76/84/79/388768479.db2.gz UPMSQWFCCIAHLW-FIQHERPVSA-N 2 0 214.353 1.218 20 0 BDADRP Cc1c[nH+]ccc1N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000228162716 388771120 /nfs/dbraw/zinc/77/11/20/388771120.db2.gz ZHEDRFSBMFYZBX-WDEREUQCSA-N 2 0 205.305 1.564 20 0 BDADRP CC(C)[NH+]1CCN(CCC[NH+]2CCCC2)CC1 ZINC000145852618 388775547 /nfs/dbraw/zinc/77/55/47/388775547.db2.gz OSRALWKSSDTCGG-UHFFFAOYSA-N 2 0 239.407 1.498 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CC[C@H](O)CC1 ZINC000252732386 388778192 /nfs/dbraw/zinc/77/81/92/388778192.db2.gz UWRPUIFLBSUQPP-DHGKCCLASA-N 2 0 240.391 1.608 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCOC(C)(C)C ZINC000252742917 388779975 /nfs/dbraw/zinc/77/99/75/388779975.db2.gz OCLBGBGSVQXNRM-VXGBXAGGSA-N 2 0 228.380 1.731 20 0 BDADRP CCn1cc(CN(C)CCC[NH+](C)C)cn1 ZINC000554545198 388820760 /nfs/dbraw/zinc/82/07/60/388820760.db2.gz PACNQDHJDDNONS-UHFFFAOYSA-N 2 0 224.352 1.287 20 0 BDADRP CCN(CCC[NH+](C)C)C(=O)CC[NH2+]C(C)C ZINC000230710704 388830259 /nfs/dbraw/zinc/83/02/59/388830259.db2.gz KIUMBSOLNSZAFZ-UHFFFAOYSA-N 2 0 243.395 1.175 20 0 BDADRP CC[NH+](CC)CCN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129589237 388854501 /nfs/dbraw/zinc/85/45/01/388854501.db2.gz VEIMBFKICSQDQR-OLZOCXBDSA-N 2 0 227.396 1.401 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2CCOCC2)CC[N@@H+]1C ZINC000094722723 388867900 /nfs/dbraw/zinc/86/79/00/388867900.db2.gz VCZOAAWYHUSMKC-DGCLKSJQSA-N 2 0 226.364 1.485 20 0 BDADRP CC[NH+](CC)CCN[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000152790134 388881953 /nfs/dbraw/zinc/88/19/53/388881953.db2.gz KUMZSUXRKHXCQF-ZIAGYGMSSA-N 2 0 241.423 1.648 20 0 BDADRP C[C@@H](NC[C@H]1CCC[N@H+](C)C1)[C@H]1CCCC[NH2+]1 ZINC000564824541 388892001 /nfs/dbraw/zinc/89/20/01/388892001.db2.gz IFGYKDRFNMDHLQ-MGPQQGTHSA-N 3 0 239.407 1.448 20 0 BDADRP CC[NH+]1CCC(C[NH2+]CC2(O)CCC2)CC1 ZINC000564847276 388893653 /nfs/dbraw/zinc/89/36/53/388893653.db2.gz ZGAPEQNWYXSRLF-UHFFFAOYSA-N 2 0 226.364 1.223 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000565226408 388927935 /nfs/dbraw/zinc/92/79/35/388927935.db2.gz KUNMWKTYXSPHSW-HZSPNIEDSA-N 2 0 239.407 1.720 20 0 BDADRP C[C@H](CCC[NH3+])NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000565657007 388960779 /nfs/dbraw/zinc/96/07/79/388960779.db2.gz SLYONAJJKDAUCF-SNVBAGLBSA-N 2 0 247.342 1.147 20 0 BDADRP FC(F)O[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000565717268 388963715 /nfs/dbraw/zinc/96/37/15/388963715.db2.gz URANHEWQJKQBAD-JTQLQIEISA-N 2 0 234.290 1.300 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCCOCC(F)(F)F ZINC000566089263 388986627 /nfs/dbraw/zinc/98/66/27/388986627.db2.gz PNDWNFQSAYWIRL-BDAKNGLRSA-N 2 0 240.269 1.425 20 0 BDADRP C[C@H]([NH2+]CCCc1cccs1)C1C[NH2+]C1 ZINC000566090828 388986732 /nfs/dbraw/zinc/98/67/32/388986732.db2.gz NUVUNVOSSNHDCH-JTQLQIEISA-N 2 0 224.373 1.878 20 0 BDADRP C(C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)[C@H]1CCOC1 ZINC000334321209 533357895 /nfs/dbraw/zinc/35/78/95/533357895.db2.gz HTIRTGKIYJBANE-KBPBESRZSA-N 2 0 238.375 1.489 20 0 BDADRP C(C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)[C@@H]1CCOC1 ZINC000334321214 533359319 /nfs/dbraw/zinc/35/93/19/533359319.db2.gz HTIRTGKIYJBANE-ZIAGYGMSSA-N 2 0 238.375 1.489 20 0 BDADRP C([C@H]1CCSC1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257644438 533376484 /nfs/dbraw/zinc/37/64/84/533376484.db2.gz BTVWAHQUGVFTNI-CHWSQXEVSA-N 2 0 240.416 1.815 20 0 BDADRP C([C@H]1CCSC1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257644439 533377456 /nfs/dbraw/zinc/37/74/56/533377456.db2.gz BTVWAHQUGVFTNI-OLZOCXBDSA-N 2 0 240.416 1.815 20 0 BDADRP CO[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000300056926 533414611 /nfs/dbraw/zinc/41/46/11/533414611.db2.gz WMSUZVHOTOKHIO-QJPTWQEYSA-N 2 0 212.337 1.095 20 0 BDADRP CC[N@@H+]1CCN(c2cc[nH+]c(C)c2)[C@H](C)C1 ZINC000286224999 132214323 /nfs/dbraw/zinc/21/43/23/132214323.db2.gz DFJDIWYJASTTEU-GFCCVEGCSA-N 2 0 219.332 1.920 20 0 BDADRP Cc1c[nH+]ccc1N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000070045234 132230022 /nfs/dbraw/zinc/23/00/22/132230022.db2.gz URUCAJQXHXWWAV-VXGBXAGGSA-N 2 0 219.332 1.954 20 0 BDADRP Cc1cccc(N2CC[NH+](CCCC[NH3+])CC2)n1 ZINC000037670390 132345151 /nfs/dbraw/zinc/34/51/51/132345151.db2.gz JDOFVAVAIXPWTR-UHFFFAOYSA-N 2 0 248.374 1.251 20 0 BDADRP Cc1n[nH]c(C)c1CN1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000336022432 134055879 /nfs/dbraw/zinc/05/58/79/134055879.db2.gz ULTLBGJDGDDVJJ-NWDGAFQWSA-N 2 0 234.347 1.068 20 0 BDADRP C[C@H]1CN(C)C[C@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000336025597 134056754 /nfs/dbraw/zinc/05/67/54/134056754.db2.gz PHXGAQCNHCPFKU-GFJIZPEISA-N 2 0 239.407 1.399 20 0 BDADRP Cc1ccncc1CN1CCC[C@@H]1C[NH3+] ZINC000168794238 134247779 /nfs/dbraw/zinc/24/77/79/134247779.db2.gz FQFKMDKMVPWNPK-GFCCVEGCSA-N 2 0 205.305 1.313 20 0 BDADRP C[C@H](CC1CC1)[NH2+]CCOCC[NH+](C)C ZINC000219303411 134281270 /nfs/dbraw/zinc/28/12/70/134281270.db2.gz RDLXWLLSUSMKPT-LLVKDONJSA-N 2 0 214.353 1.343 20 0 BDADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1nccs1 ZINC000219312873 134281309 /nfs/dbraw/zinc/28/13/09/134281309.db2.gz PBLRNPZQMYEYJL-JTQLQIEISA-N 2 0 243.376 1.372 20 0 BDADRP Cc1ccc(F)c(C[NH2+][C@@H](C)CC[NH3+])c1 ZINC000220488175 134305231 /nfs/dbraw/zinc/30/52/31/134305231.db2.gz XWSBCFQJCUAYBL-JTQLQIEISA-N 2 0 210.296 1.961 20 0 BDADRP c1cn(CCC[NH2+]CC[C@@H]2CCOC2)cn1 ZINC000220498871 134305813 /nfs/dbraw/zinc/30/58/13/134305813.db2.gz JLIYHCIJPSSIAK-GFCCVEGCSA-N 2 0 223.320 1.289 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000178976418 134313915 /nfs/dbraw/zinc/31/39/15/134313915.db2.gz MWZWRTKIFBMGKK-CYBMUJFWSA-N 2 0 224.348 1.098 20 0 BDADRP C[C@@H](O)CC(C)(C)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000181137064 134336663 /nfs/dbraw/zinc/33/66/63/134336663.db2.gz UGUWOWOPXXZSDW-XQQFMLRXSA-N 2 0 242.407 1.856 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000223489988 134340029 /nfs/dbraw/zinc/34/00/29/134340029.db2.gz FHFOIWJLHVUVFY-XQQFMLRXSA-N 2 0 228.380 1.610 20 0 BDADRP CCC[NH+]1CCC([NH2+]CCC[C@H](C)CO)CC1 ZINC000223819753 134343289 /nfs/dbraw/zinc/34/32/89/134343289.db2.gz IYSVLPSUBUETSO-ZDUSSCGKSA-N 2 0 242.407 1.859 20 0 BDADRP COCC[C@H](C)[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000226331080 134360873 /nfs/dbraw/zinc/36/08/73/134360873.db2.gz CJWZJWKVFHNYDL-QJPTWQEYSA-N 2 0 214.353 1.471 20 0 BDADRP CC(C)[C@H](CCO)[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000227009443 134373070 /nfs/dbraw/zinc/37/30/70/134373070.db2.gz UZRAMLJYSGQYOL-KGLIPLIRSA-N 2 0 242.407 1.857 20 0 BDADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCCCO)CC[C@H]21 ZINC000227342909 134377928 /nfs/dbraw/zinc/37/79/28/134377928.db2.gz YEAFRILIHGCUDH-CHWSQXEVSA-N 2 0 226.364 1.175 20 0 BDADRP Cn1cncc1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000227330099 134378224 /nfs/dbraw/zinc/37/82/24/134378224.db2.gz ORHDSQXDDGXCSA-UHFFFAOYSA-N 2 0 236.363 1.242 20 0 BDADRP COCC[C@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000227495402 134381205 /nfs/dbraw/zinc/38/12/05/134381205.db2.gz ZFMWAWYXHGXISL-LBPRGKRZSA-N 2 0 228.380 1.733 20 0 BDADRP C[C@H](C[NH2+]CC1(C)COC1)C[NH+]1CCCCC1 ZINC000227525546 134382650 /nfs/dbraw/zinc/38/26/50/134382650.db2.gz GISKPTJFCMTYDM-CYBMUJFWSA-N 2 0 240.391 1.735 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC=CCC1 ZINC000234700423 134385356 /nfs/dbraw/zinc/38/53/56/134385356.db2.gz XSKRQHWZZUJDAI-NEPJUHHUSA-N 2 0 212.337 1.439 20 0 BDADRP C[C@@H](c1cccc(O)c1)[N@H+](C)CCC[NH3+] ZINC000227744550 134392051 /nfs/dbraw/zinc/39/20/51/134392051.db2.gz QQKMIRZSHGSKEE-JTQLQIEISA-N 2 0 208.305 1.734 20 0 BDADRP C[NH+](C)CCC1CC[NH+](CCCO)CC1 ZINC000056522349 134782803 /nfs/dbraw/zinc/78/28/03/134782803.db2.gz VGNRVSACELKMKJ-UHFFFAOYSA-N 2 0 214.353 1.033 20 0 BDADRP C[NH+](C)CCOCC[NH2+]C[C@@H]1CC=CCC1 ZINC000231676794 135025088 /nfs/dbraw/zinc/02/50/88/135025088.db2.gz WYOHEVQFLBHJCL-CYBMUJFWSA-N 2 0 226.364 1.511 20 0 BDADRP C[NH+](C)CCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250362990 135052431 /nfs/dbraw/zinc/05/24/31/135052431.db2.gz VUALUSZOYMUJJE-STQMWFEESA-N 2 0 225.380 1.155 20 0 BDADRP C[NH+](C)CCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250362984 135052932 /nfs/dbraw/zinc/05/29/32/135052932.db2.gz VUALUSZOYMUJJE-OLZOCXBDSA-N 2 0 225.380 1.155 20 0 BDADRP CCOCCC[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000250574239 135053778 /nfs/dbraw/zinc/05/37/78/135053778.db2.gz WYRRSQJASKEJAZ-RYUDHWBXSA-N 2 0 214.353 1.472 20 0 BDADRP OC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCCC1 ZINC000250979616 135061341 /nfs/dbraw/zinc/06/13/41/135061341.db2.gz BEQLPIWTWJNSJZ-STQMWFEESA-N 2 0 238.375 1.508 20 0 BDADRP CC[C@H](COC)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251117497 135064516 /nfs/dbraw/zinc/06/45/16/135064516.db2.gz VOHKMNDNLRWFMR-UPJWGTAASA-N 2 0 226.364 1.628 20 0 BDADRP C[C@H](CCO)[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000251207043 135066203 /nfs/dbraw/zinc/06/62/03/135066203.db2.gz LSFZVQPSOKPXHW-AAVRWANBSA-N 2 0 240.391 1.658 20 0 BDADRP COC[C@@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000251354938 135068603 /nfs/dbraw/zinc/06/86/03/135068603.db2.gz UEANTOOXDPLGQA-MNOVXSKESA-N 2 0 202.342 1.327 20 0 BDADRP COC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C(C)C ZINC000251357628 135069233 /nfs/dbraw/zinc/06/92/33/135069233.db2.gz UPULBHXGRKMVNR-IHRRRGAJSA-N 2 0 240.391 1.874 20 0 BDADRP COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000251728336 135075334 /nfs/dbraw/zinc/07/53/34/135075334.db2.gz KFNFSPZBMNIOGG-BXUZGUMPSA-N 2 0 234.343 1.864 20 0 BDADRP CO[C@@H]1C[N@H+](CCn2ccnc2)CC[C@@H]1C ZINC000251992975 135082424 /nfs/dbraw/zinc/08/24/24/135082424.db2.gz WBDVHGPDFVMIAW-NWDGAFQWSA-N 2 0 223.320 1.240 20 0 BDADRP C[NH+](C)CCC[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000086926954 135101441 /nfs/dbraw/zinc/10/14/41/135101441.db2.gz AXUOVZXGKKVGQP-LLVKDONJSA-N 2 0 228.380 1.874 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)[C@H]1CCOC1 ZINC000252715169 135101631 /nfs/dbraw/zinc/10/16/31/135101631.db2.gz UVRNHJYLHGEEGJ-UTUOFQBUSA-N 2 0 214.353 1.341 20 0 BDADRP C[C@]1(C[NH2+]C[C@@H]2CCC[NH2+]C2)CCCO1 ZINC000087255620 135115907 /nfs/dbraw/zinc/11/59/07/135115907.db2.gz CUXPFDNNXSGJPO-VXGBXAGGSA-N 2 0 212.337 1.145 20 0 BDADRP Cc1cc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc[nH+]1 ZINC000252946068 135117279 /nfs/dbraw/zinc/11/72/79/135117279.db2.gz MIOCBLFRQGXEHJ-KBPBESRZSA-N 2 0 247.342 1.665 20 0 BDADRP COCCCC[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253227180 135124443 /nfs/dbraw/zinc/12/44/43/135124443.db2.gz JRZHALIPDXOQHE-VXGBXAGGSA-N 2 0 214.353 1.330 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000253245384 135125000 /nfs/dbraw/zinc/12/50/00/135125000.db2.gz GDZHSXZMRVPHJU-FRRDWIJNSA-N 2 0 240.391 1.874 20 0 BDADRP COCCCC[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000253227179 135125153 /nfs/dbraw/zinc/12/51/53/135125153.db2.gz JRZHALIPDXOQHE-NWDGAFQWSA-N 2 0 214.353 1.330 20 0 BDADRP CC(C)C[C@H]([NH3+])CN(C)CCOCC1CC1 ZINC000087399839 135128394 /nfs/dbraw/zinc/12/83/94/135128394.db2.gz KISRKBGDBLELFD-ZDUSSCGKSA-N 2 0 228.380 1.718 20 0 BDADRP Cc1cccc(CC[NH2+]CC(C)(C)[NH3+])c1 ZINC000258864980 135135676 /nfs/dbraw/zinc/13/56/76/135135676.db2.gz OQOSDKRUKHIVNW-UHFFFAOYSA-N 2 0 206.333 1.864 20 0 BDADRP Cc1ccncc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000257639535 135137490 /nfs/dbraw/zinc/13/74/90/135137490.db2.gz AMJLBDLFKQZWEW-UHFFFAOYSA-N 2 0 245.370 1.966 20 0 BDADRP Cc1nn(C)cc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000257645712 135137686 /nfs/dbraw/zinc/13/76/86/135137686.db2.gz CBIZXYLXUHYJBU-UHFFFAOYSA-N 2 0 248.374 1.304 20 0 BDADRP C(C1CCOCC1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257669813 135138596 /nfs/dbraw/zinc/13/85/96/135138596.db2.gz IDKFKXPRAGGGPJ-CYBMUJFWSA-N 2 0 224.348 1.098 20 0 BDADRP Cc1noc(C)c1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000257705550 135140015 /nfs/dbraw/zinc/14/00/15/135140015.db2.gz RFGFTVNJNZCSNA-UHFFFAOYSA-N 2 0 249.358 1.867 20 0 BDADRP C[NH2+]CCC[N@H+](C)CC[C@H]1CCCO1 ZINC000087472624 135143414 /nfs/dbraw/zinc/14/34/14/135143414.db2.gz ZCINQJHQCAUOLJ-LLVKDONJSA-N 2 0 200.326 1.097 20 0 BDADRP Cc1ccsc1CN1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261528184 135153762 /nfs/dbraw/zinc/15/37/62/135153762.db2.gz JPIRNQJTVAZKJP-NXEZZACHSA-N 2 0 210.346 1.836 20 0 BDADRP CO[C@H]1CN(CC(C)(C)[NH3+])CC[C@H]1C ZINC000261529193 135155215 /nfs/dbraw/zinc/15/52/15/135155215.db2.gz QDZUJMFRRGTMMC-ZJUUUORDSA-N 2 0 200.326 1.081 20 0 BDADRP Cc1ccncc1CN1CC[C@@H]([NH3+])[C@H]1C ZINC000261530655 135158394 /nfs/dbraw/zinc/15/83/94/135158394.db2.gz CZAOCFOYRKRCPG-ZYHUDNBSSA-N 2 0 205.305 1.312 20 0 BDADRP c1cc(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)cs1 ZINC000261530516 135158434 /nfs/dbraw/zinc/15/84/34/135158434.db2.gz CPRNBDXBYPYFSM-RYUDHWBXSA-N 2 0 222.357 1.932 20 0 BDADRP CC[C@H]1CN(CC(C)(C)[NH3+])C[C@H](C)O1 ZINC000261531231 135159972 /nfs/dbraw/zinc/15/99/72/135159972.db2.gz FTYZITBETQOEEP-UWVGGRQHSA-N 2 0 200.326 1.223 20 0 BDADRP C[C@@H]1C[C@H](C[NH+]2C[C@@H](C)O[C@H](C)C2)CC[NH2+]1 ZINC000261533658 135164811 /nfs/dbraw/zinc/16/48/11/135164811.db2.gz JLKIDSWYXTVNJX-FDYHWXHSSA-N 2 0 226.364 1.484 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2C[NH3+])C1(C)C ZINC000261533895 135165820 /nfs/dbraw/zinc/16/58/20/135165820.db2.gz KXZGWWQGVJBKRS-NOOOWODRSA-N 2 0 226.364 1.517 20 0 BDADRP CO[C@@H]1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261534420 135166563 /nfs/dbraw/zinc/16/65/63/135166563.db2.gz MIRPFMYVLNACPP-VXGBXAGGSA-N 2 0 212.337 1.097 20 0 BDADRP CC[C@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)CCCO1 ZINC000261534521 135167586 /nfs/dbraw/zinc/16/75/86/135167586.db2.gz RRCUGPKUYSISFA-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP CC1(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)CCC1 ZINC000261534690 135168256 /nfs/dbraw/zinc/16/82/56/135168256.db2.gz MXSSEKWTNDCVIZ-NWDGAFQWSA-N 2 0 208.349 1.860 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@H](C)OC[C@@H]2C)CC[NH2+]1 ZINC000261535035 135168755 /nfs/dbraw/zinc/16/87/55/135168755.db2.gz VZHXFYDLZVSCJQ-MROQNXINSA-N 2 0 226.364 1.484 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCC(F)(F)F)C[C@@H]12 ZINC000261534868 135169216 /nfs/dbraw/zinc/16/92/16/135169216.db2.gz NGOWVAFESPMHPF-IWSPIJDZSA-N 2 0 222.254 1.608 20 0 BDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCOC1 ZINC000087783206 135170112 /nfs/dbraw/zinc/17/01/12/135170112.db2.gz NHFLJCWWCBKOCQ-JHJVBQTASA-N 2 0 226.364 1.676 20 0 BDADRP CC1(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CCC1 ZINC000261536324 135171309 /nfs/dbraw/zinc/17/13/09/135171309.db2.gz RGMJTHMAGCYOIY-SRVKXCTJSA-N 2 0 208.349 1.846 20 0 BDADRP CO[C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261536539 135172526 /nfs/dbraw/zinc/17/25/26/135172526.db2.gz SBMKYFRDUKQKNM-NWDGAFQWSA-N 2 0 212.337 1.097 20 0 BDADRP CC(C)[N@H+](CCOCC[NH3+])C1CCC1 ZINC000261536916 135173566 /nfs/dbraw/zinc/17/35/66/135173566.db2.gz UFTAGIIENCFSMT-UHFFFAOYSA-N 2 0 200.326 1.225 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2C[NH3+])C1(C)C ZINC000261540142 135179244 /nfs/dbraw/zinc/17/92/44/135179244.db2.gz DWJFCBZOYVZYSH-ZDEQEGDKSA-N 2 0 240.391 1.907 20 0 BDADRP Cc1cc(C)cc(C[N@H+](C)CCOCC[NH3+])c1 ZINC000261540467 135179376 /nfs/dbraw/zinc/17/93/76/135179376.db2.gz AFXPTZWRIHGUBT-UHFFFAOYSA-N 2 0 236.359 1.711 20 0 BDADRP C[C@H]1[C@H]([NH3+])CCN1Cc1cccc(N)c1 ZINC000261540562 135180282 /nfs/dbraw/zinc/18/02/82/135180282.db2.gz FCRWUSUGJQEHPM-JOYOIKCWSA-N 2 0 205.305 1.190 20 0 BDADRP CCCn1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cn1 ZINC000261541287 135181161 /nfs/dbraw/zinc/18/11/61/135181161.db2.gz JMRNMAOCXWYVQS-NEPJUHHUSA-N 2 0 236.363 1.462 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)CCS1 ZINC000261542680 135183414 /nfs/dbraw/zinc/18/34/14/135183414.db2.gz HDPYCFWMQMUFLH-VXGBXAGGSA-N 2 0 228.405 1.813 20 0 BDADRP COCC(C)(C)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000261543138 135183754 /nfs/dbraw/zinc/18/37/54/135183754.db2.gz HNEVUVQPIKLQMG-LLVKDONJSA-N 2 0 214.353 1.330 20 0 BDADRP C[C@H]1CCSCC[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261544523 135185765 /nfs/dbraw/zinc/18/57/65/135185765.db2.gz IYRKAOYZBPUQBP-NWDGAFQWSA-N 2 0 228.405 1.813 20 0 BDADRP Cc1nc(C)c(C[N@@H+]2CCC[C@H](C[NH3+])C2)s1 ZINC000084149022 135187524 /nfs/dbraw/zinc/18/75/24/135187524.db2.gz DCKOHSYNLWPTMU-LLVKDONJSA-N 2 0 239.388 1.931 20 0 BDADRP CCn1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cn1 ZINC000261550997 135190055 /nfs/dbraw/zinc/19/00/55/135190055.db2.gz LSHQQAOYGRXRNI-RWMBFGLXSA-N 2 0 234.347 1.072 20 0 BDADRP Cc1cnn(CC[N@@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000261552900 135192349 /nfs/dbraw/zinc/19/23/49/135192349.db2.gz NLKJCPWDJGAKDO-ZDUSSCGKSA-N 2 0 236.363 1.395 20 0 BDADRP Cn1cc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cn1 ZINC000084216434 135192523 /nfs/dbraw/zinc/19/25/23/135192523.db2.gz QTOYVEQYCMUEAK-VXGBXAGGSA-N 2 0 222.336 1.027 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCCOCC1CC1 ZINC000084218239 135192778 /nfs/dbraw/zinc/19/27/78/135192778.db2.gz ZJLHCDWDXINTMZ-STQMWFEESA-N 2 0 226.364 1.520 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCCOCC1CC1 ZINC000084218232 135193277 /nfs/dbraw/zinc/19/32/77/135193277.db2.gz ZJLHCDWDXINTMZ-QWHCGFSZSA-N 2 0 226.364 1.520 20 0 BDADRP C[NH2+]CCC1CC[NH+](C[C@@H]2C[C@H]2C)CC1 ZINC000261554816 135194802 /nfs/dbraw/zinc/19/48/02/135194802.db2.gz UQQXZKDVOBXCGQ-YPMHNXCESA-N 2 0 210.365 1.964 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CCCC2(CC2)C1 ZINC000261555472 135194881 /nfs/dbraw/zinc/19/48/81/135194881.db2.gz VAJUVVDRBCNFJK-UHFFFAOYSA-N 2 0 208.349 1.862 20 0 BDADRP C[C@H]1OCC[N@H+](CC2CC[NH2+]CC2)[C@H]1C ZINC000261555167 135195472 /nfs/dbraw/zinc/19/54/72/135195472.db2.gz UUNYVOUYWKTEFQ-WDEREUQCSA-N 2 0 212.337 1.095 20 0 BDADRP CCOCC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000261556233 135196100 /nfs/dbraw/zinc/19/61/00/135196100.db2.gz VTFCCSVDNORBMW-UHFFFAOYSA-N 2 0 212.337 1.098 20 0 BDADRP C[C@@]1(C[NH3+])CCN(Cc2cc(O)cc(F)c2)C1 ZINC000261558814 135199442 /nfs/dbraw/zinc/19/94/42/135199442.db2.gz SRMDXIXKBGKMJZ-ZDUSSCGKSA-N 2 0 238.306 1.702 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC[C@H]3CCCO3)C[C@H]12 ZINC000261562388 135203481 /nfs/dbraw/zinc/20/34/81/135203481.db2.gz BGPCIAHBKMXUNO-FVCCEPFGSA-N 2 0 224.348 1.225 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC[C@@H]3CCCO3)C[C@@H]12 ZINC000261562394 135203758 /nfs/dbraw/zinc/20/37/58/135203758.db2.gz BGPCIAHBKMXUNO-YVECIDJPSA-N 2 0 224.348 1.225 20 0 BDADRP [NH3+]C[C@H]1CCCCN1CCOCC1CC1 ZINC000261562555 135204204 /nfs/dbraw/zinc/20/42/04/135204204.db2.gz BJQRAUUUIRXMKA-GFCCVEGCSA-N 2 0 212.337 1.226 20 0 BDADRP Cc1ncccc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000261567843 135209684 /nfs/dbraw/zinc/20/96/84/135209684.db2.gz ITFFOCLJFVNHRC-ZNMIVQPWSA-N 2 0 245.370 1.949 20 0 BDADRP Cn1cc([C@@H]2CCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)cn1 ZINC000261569889 135211895 /nfs/dbraw/zinc/21/18/95/135211895.db2.gz KCFMJVFORBCBOF-OCCSQVGLSA-N 2 0 248.374 1.557 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](CCOCC2CC2)C1 ZINC000261571659 135213648 /nfs/dbraw/zinc/21/36/48/135213648.db2.gz HQXWLOBNMKPXPI-GFCCVEGCSA-N 2 0 212.337 1.084 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]12 ZINC000261572817 135214830 /nfs/dbraw/zinc/21/48/30/135214830.db2.gz IIMMPEVUXFGDGF-JHJVBQTASA-N 2 0 217.316 1.251 20 0 BDADRP Cc1[nH+]ccc(N2C[C@H]3C[NH2+]C[C@H]3C2)c1Cl ZINC000261573768 135215759 /nfs/dbraw/zinc/21/57/59/135215759.db2.gz IYNHZLBGCGFHCN-AOOOYVTPSA-N 2 0 237.734 1.699 20 0 BDADRP CC(C)n1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cn1 ZINC000261575507 135216819 /nfs/dbraw/zinc/21/68/19/135216819.db2.gz NDHBRKUISACHDZ-MELADBBJSA-N 2 0 248.374 1.633 20 0 BDADRP COc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000261575984 135217722 /nfs/dbraw/zinc/21/77/22/135217722.db2.gz NMHLMKPMEAHNDD-AEGPPILISA-N 2 0 246.354 1.864 20 0 BDADRP C[C@](O)(C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])C1CC1 ZINC000261583824 135225040 /nfs/dbraw/zinc/22/50/40/135225040.db2.gz PGLWWNBZONPZTA-RTXFEEFZSA-N 2 0 226.364 1.255 20 0 BDADRP C[C@@H]1C[C@H](N(C)CC(C)(C)[NH3+])CC[N@@H+]1C ZINC000261584832 135225894 /nfs/dbraw/zinc/22/58/94/135225894.db2.gz QBGLPVOWVIQHCW-GHMZBOCLSA-N 2 0 213.369 1.138 20 0 BDADRP Cc1cc(N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc[nH+]1 ZINC000261586701 135227910 /nfs/dbraw/zinc/22/79/10/135227910.db2.gz RIXWMHSRCOFBOT-CYZMBNFOSA-N 2 0 217.316 1.564 20 0 BDADRP c1ccc(OCC[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261587393 135228622 /nfs/dbraw/zinc/22/86/22/135228622.db2.gz UZVBSVJFEJNJJT-UONOGXRCSA-N 2 0 246.354 1.607 20 0 BDADRP C[C@H](c1ccccc1)[N@H+](C)CCOCC[NH3+] ZINC000261589055 135230011 /nfs/dbraw/zinc/23/00/11/135230011.db2.gz SWASEGDTZALRMG-GFCCVEGCSA-N 2 0 222.332 1.655 20 0 BDADRP Cc1cc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)no1 ZINC000261590504 135230987 /nfs/dbraw/zinc/23/09/87/135230987.db2.gz UORPADIZIZKXNQ-ZMLRMANQSA-N 2 0 221.304 1.152 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000261591082 135231925 /nfs/dbraw/zinc/23/19/25/135231925.db2.gz UYGCTBQJFWYTSU-MROQNXINSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000261595226 135234926 /nfs/dbraw/zinc/23/49/26/135234926.db2.gz XYAFZZISIRAAQK-FDYHWXHSSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@@H](O)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000261595230 135235270 /nfs/dbraw/zinc/23/52/70/135235270.db2.gz XYAFZZISIRAAQK-YVECIDJPSA-N 2 0 226.364 1.268 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCCF)C[C@@H]21 ZINC000164402128 135240352 /nfs/dbraw/zinc/24/03/52/135240352.db2.gz TULZYEMYDRUIAB-OUAUKWLOSA-N 2 0 200.301 1.405 20 0 BDADRP CCC1(C[N@@H+]2CC[C@](C)(C[NH3+])C2)CCOCC1 ZINC000261685386 135246105 /nfs/dbraw/zinc/24/61/05/135246105.db2.gz KFPVSFRBJNKJKD-CYBMUJFWSA-N 2 0 240.391 1.864 20 0 BDADRP CN(C[C@@H]1CCC[N@H+](C)C1)C[C@@]1(C)CC[NH2+]C1 ZINC000261751318 135249900 /nfs/dbraw/zinc/24/99/00/135249900.db2.gz JWAALBZVBRQNBA-KGLIPLIRSA-N 3 0 239.407 1.260 20 0 BDADRP COCC(C)(C)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000261751428 135250148 /nfs/dbraw/zinc/25/01/48/135250148.db2.gz CERABGUFLOFIDP-LLVKDONJSA-N 2 0 228.380 1.718 20 0 BDADRP C[C@@]1(C[NH+]2CCC(c3ncc[nH]3)CC2)CC[NH2+]C1 ZINC000261756320 135250152 /nfs/dbraw/zinc/25/01/52/135250152.db2.gz KVUJKZHVSUVNIO-CQSZACIVSA-N 2 0 248.374 1.589 20 0 BDADRP CC(C)[N@@H+]1CCCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261775059 135251447 /nfs/dbraw/zinc/25/14/47/135251447.db2.gz NDKWVNNTJATDJC-AWEZNQCLSA-N 2 0 239.407 1.402 20 0 BDADRP CC(C)([NH3+])CN1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000261805569 135254226 /nfs/dbraw/zinc/25/42/26/135254226.db2.gz HHFRPOJTTLPIPF-MNOVXSKESA-N 2 0 228.380 1.453 20 0 BDADRP CC[C@@]1(CO)CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000261819446 135255148 /nfs/dbraw/zinc/25/51/48/135255148.db2.gz IGYYTWGFLNBVTL-CQSZACIVSA-N 2 0 240.391 1.471 20 0 BDADRP COC(=O)C(C)(C)CC[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000261831501 135256164 /nfs/dbraw/zinc/25/61/64/135256164.db2.gz JBVKQFVAPFAVNR-QWRGUYRKSA-N 2 0 242.363 1.245 20 0 BDADRP C[C@@]1(C[N@@H+]2CC[C@H](O)C(C)(C)C2)CC[NH2+]C1 ZINC000261867832 135258486 /nfs/dbraw/zinc/25/84/86/135258486.db2.gz ODHSSCITLFOKPP-WCQYABFASA-N 2 0 226.364 1.079 20 0 BDADRP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261882474 135259890 /nfs/dbraw/zinc/25/98/90/135259890.db2.gz UTJJXJNTGLIFIA-GFCCVEGCSA-N 2 0 222.336 1.197 20 0 BDADRP C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261933386 135264255 /nfs/dbraw/zinc/26/42/55/135264255.db2.gz LUTBEAOXIUMUMC-DYEKYZERSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@@H]([NH3+])CC(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000261939198 135264487 /nfs/dbraw/zinc/26/44/87/135264487.db2.gz ZZXXFPWSSBZPAB-LLVKDONJSA-N 2 0 249.358 1.467 20 0 BDADRP C[C@@H]1C[C@H](N(C)C[C@@]2(C)CC[NH2+]C2)CC[N@@H+]1C ZINC000261947287 135265117 /nfs/dbraw/zinc/26/51/17/135265117.db2.gz FMQXIYLBHSKBJD-MCIONIFRSA-N 2 0 239.407 1.401 20 0 BDADRP CO[C@@H](C)C[N@H+](C[C@]1(C)CC[NH2+]C1)C(C)C ZINC000261975265 135268770 /nfs/dbraw/zinc/26/87/70/135268770.db2.gz IQXHNQIBHBGQPG-QWHCGFSZSA-N 2 0 228.380 1.731 20 0 BDADRP C[NH2+]CC1CC[NH+](CC(C)(C)COC)CC1 ZINC000262013679 135273149 /nfs/dbraw/zinc/27/31/49/135273149.db2.gz VIJBJDRZBPSOKD-UHFFFAOYSA-N 2 0 228.380 1.590 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000262048800 135275560 /nfs/dbraw/zinc/27/55/60/135275560.db2.gz ZJEOWIZEATZPEG-RYUDHWBXSA-N 2 0 226.364 1.472 20 0 BDADRP Cn1cc([C@@H]2CC[N@H+](C[C@]3(C)CC[NH2+]C3)C2)cn1 ZINC000262103510 135278929 /nfs/dbraw/zinc/27/89/29/135278929.db2.gz VTZBFOCCVLKTMC-TZMCWYRMSA-N 2 0 248.374 1.209 20 0 BDADRP CCOC[C@@H]1CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262144621 135281489 /nfs/dbraw/zinc/28/14/89/135281489.db2.gz ZKTXBLNUGNXVJE-KGLIPLIRSA-N 2 0 240.391 1.735 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000262289953 135290425 /nfs/dbraw/zinc/29/04/25/135290425.db2.gz VXBBHFHXIFRLMU-ZIAGYGMSSA-N 2 0 238.375 1.487 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000262289952 135290489 /nfs/dbraw/zinc/29/04/89/135290489.db2.gz VXBBHFHXIFRLMU-UONOGXRCSA-N 2 0 238.375 1.487 20 0 BDADRP C[N@H+](CC1CC[NH2+]CC1)C[C@@H]1CCCC[C@H]1O ZINC000262288857 135290828 /nfs/dbraw/zinc/29/08/28/135290828.db2.gz VUCZFVXYVPGQQJ-UONOGXRCSA-N 2 0 240.391 1.469 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)NCC1(C)CC[NH2+]CC1 ZINC000342601919 135301818 /nfs/dbraw/zinc/30/18/18/135301818.db2.gz YJLOMFNYCZHTGB-NSHDSACASA-N 2 0 241.379 1.010 20 0 BDADRP C[C@H](O)[C@H]1CC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000305823738 135358013 /nfs/dbraw/zinc/35/80/13/135358013.db2.gz RRZVZBUWHLZVDN-RWMBFGLXSA-N 2 0 226.364 1.173 20 0 BDADRP CCC[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000334391058 135386471 /nfs/dbraw/zinc/38/64/71/135386471.db2.gz USYXOKHVURBKPE-ZDUSSCGKSA-N 2 0 239.407 1.497 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+][C@H]2COC(C)(C)C2)CC1 ZINC000335658158 135420604 /nfs/dbraw/zinc/42/06/04/135420604.db2.gz WWGFKBNQFWEVRH-GFCCVEGCSA-N 2 0 240.391 1.875 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1cccnc1 ZINC000089144635 135530129 /nfs/dbraw/zinc/53/01/29/135530129.db2.gz IKKDIRBXLOCUNF-ZIAGYGMSSA-N 2 0 233.359 1.731 20 0 BDADRP c1cc(C[NH2+][C@H]2CCCOCC2)cc2c1C[NH2+]C2 ZINC000335057837 135875482 /nfs/dbraw/zinc/87/54/82/135875482.db2.gz DVMWJUKORDSTKL-HNNXBMFYSA-N 2 0 246.354 1.949 20 0 BDADRP Oc1cccnc1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000347883703 136014827 /nfs/dbraw/zinc/01/48/27/136014827.db2.gz VIXKYRVEYUCOIZ-VXGBXAGGSA-N 2 0 247.342 1.504 20 0 BDADRP CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000348119171 136032540 /nfs/dbraw/zinc/03/25/40/136032540.db2.gz NEAAMQSENODRPR-BFHYXJOUSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@@H](NCC[C@H]1CCC[N@@H+]1C)c1cnn(C)c1 ZINC000348309976 136066530 /nfs/dbraw/zinc/06/65/30/136066530.db2.gz QCPRBFDVCWPJKZ-DGCLKSJQSA-N 2 0 236.363 1.555 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C2CCC(C[NH3+])CC2)CO1 ZINC000335384393 136088676 /nfs/dbraw/zinc/08/86/76/136088676.db2.gz FSHSZJSRPJKZBI-WNYYMSAVSA-N 2 0 212.337 1.271 20 0 BDADRP Cc1cnc([C@H](C)[NH+]2CCC(C[NH3+])CC2)o1 ZINC000335387056 136089183 /nfs/dbraw/zinc/08/91/83/136089183.db2.gz PYRVVNBXDQFBRK-JTQLQIEISA-N 2 0 223.320 1.715 20 0 BDADRP CC(C)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000335394292 136091765 /nfs/dbraw/zinc/09/17/65/136091765.db2.gz GTAOYFJGFKCWQM-NSHDSACASA-N 2 0 212.337 1.082 20 0 BDADRP COC1CCC([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000335595014 136104191 /nfs/dbraw/zinc/10/41/91/136104191.db2.gz MDQWWNCNNPYCPP-RYSNWHEDSA-N 2 0 240.391 1.922 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@H]3CCCO3)C2)C1 ZINC000335569825 136108576 /nfs/dbraw/zinc/10/85/76/136108576.db2.gz ICJJXQLFWXAKCP-CHWSQXEVSA-N 2 0 224.348 1.193 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+](C[C@@H]3CCOC3)C2)C1 ZINC000335570386 136109161 /nfs/dbraw/zinc/10/91/61/136109161.db2.gz NBDDVQNAZHIKSU-STQMWFEESA-N 2 0 224.348 1.051 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@@H]3CCOC3)C2)C1 ZINC000335570385 136109553 /nfs/dbraw/zinc/10/95/53/136109553.db2.gz NBDDVQNAZHIKSU-QWHCGFSZSA-N 2 0 224.348 1.051 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+](C[C@H]3CCCO3)C2)C1 ZINC000335569826 136109610 /nfs/dbraw/zinc/10/96/10/136109610.db2.gz ICJJXQLFWXAKCP-OLZOCXBDSA-N 2 0 224.348 1.193 20 0 BDADRP COC(=O)C(C)(C)CC[NH2+][C@@H](C)CC[NH+](C)C ZINC000348707748 136116701 /nfs/dbraw/zinc/11/67/01/136116701.db2.gz JTPFZOLAUGQRQL-NSHDSACASA-N 2 0 244.379 1.506 20 0 BDADRP C[C@H]1C[C@H](C[N@@H+]2CCNCC2(C)C)CC[NH2+]1 ZINC000647500456 397759069 /nfs/dbraw/zinc/75/90/69/397759069.db2.gz REZZGEPYLHOBCZ-NWDGAFQWSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@]1(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)CC[NH2+]C1 ZINC000647514048 397772008 /nfs/dbraw/zinc/77/20/08/397772008.db2.gz DHNLECZQGVWBJP-JSGCOSHPSA-N 2 0 248.374 1.589 20 0 BDADRP CSC[C@H]1CCC[N@@H+]1CCn1ccnc1 ZINC000162308771 397778617 /nfs/dbraw/zinc/77/86/17/397778617.db2.gz YDWUGNOYAPPSJL-LLVKDONJSA-N 2 0 225.361 1.711 20 0 BDADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000647540365 397782249 /nfs/dbraw/zinc/78/22/49/397782249.db2.gz LJYJMHIFRPGGGZ-VOAKCMCISA-N 3 0 243.370 1.006 20 0 BDADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC1CCOCC1 ZINC000082594519 397966916 /nfs/dbraw/zinc/96/69/16/397966916.db2.gz GXAVJCHAUOUYQP-ZDUSSCGKSA-N 2 0 226.364 1.616 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](CCCc2ccccc2)C1 ZINC000011891409 397901793 /nfs/dbraw/zinc/90/17/93/397901793.db2.gz HGPKPSAMLUWWOR-AWEZNQCLSA-N 2 0 218.344 1.900 20 0 BDADRP Cc1nccn1CCC[NH+]1CCC(C)([NH3+])CC1 ZINC000647924749 397989725 /nfs/dbraw/zinc/98/97/25/397989725.db2.gz HQMLDQOLYRNWKE-UHFFFAOYSA-N 2 0 236.363 1.395 20 0 BDADRP CC[N@H+](C)C[C@H]1CCN(C[C@@H]([NH3+])CC(C)C)C1 ZINC000414705277 398021395 /nfs/dbraw/zinc/02/13/95/398021395.db2.gz LIBPHHYBFXBYBA-KGLIPLIRSA-N 2 0 241.423 1.633 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000414767492 398030760 /nfs/dbraw/zinc/03/07/60/398030760.db2.gz GFUJCWQQKWASST-ZRJCITRHSA-N 2 0 238.375 1.471 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCC(F)(F)F)C[C@@H]21 ZINC000163665665 398030873 /nfs/dbraw/zinc/03/08/73/398030873.db2.gz MSRUTIOSCBMISJ-LPEHRKFASA-N 2 0 236.281 1.998 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC[C@H](C)[NH3+] ZINC000414818569 398043377 /nfs/dbraw/zinc/04/33/77/398043377.db2.gz FLQRDZUJVLWKKT-XQQFMLRXSA-N 2 0 227.396 1.624 20 0 BDADRP C[C@@H](C[NH2+]C[C@@H]1CC[NH2+]C1)CC1CCOCC1 ZINC000414917639 398092766 /nfs/dbraw/zinc/09/27/66/398092766.db2.gz SCUTXJZGFLVZHL-TZMCWYRMSA-N 2 0 240.391 1.638 20 0 BDADRP CC[N@H+](CCn1ccnc1C)[C@@H]1CCCOC1 ZINC000649755693 398085880 /nfs/dbraw/zinc/08/58/80/398085880.db2.gz VCGBPXRKAZDNHI-CYBMUJFWSA-N 2 0 237.347 1.692 20 0 BDADRP CC[N@H+](CC[C@@H]1CCC[NH+]1C)[C@H]1CCCOC1 ZINC000649755864 398087257 /nfs/dbraw/zinc/08/72/57/398087257.db2.gz ZTPSSDOQJDDDEZ-KBPBESRZSA-N 2 0 240.391 1.972 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(CC3CC3)C2)[C@@H](C)O1 ZINC000648450011 398052000 /nfs/dbraw/zinc/05/20/00/398052000.db2.gz JJBIHJHTWAAQIL-OXHZDVMGSA-N 2 0 238.375 1.626 20 0 BDADRP CS[C@H](C)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090725067 398111460 /nfs/dbraw/zinc/11/14/60/398111460.db2.gz NMKKRVILNCXHMV-GRYCIOLGSA-N 2 0 228.405 1.954 20 0 BDADRP C[C@H](CCO)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623436377 398130306 /nfs/dbraw/zinc/13/03/06/398130306.db2.gz PGPQDISKVNFHKQ-NEPJUHHUSA-N 2 0 228.380 1.467 20 0 BDADRP CC(C)[NH2+]CCN1CCC2(CCC[N@@H+]2C)CC1 ZINC000369128997 167104665 /nfs/dbraw/zinc/10/46/65/167104665.db2.gz ZWYRTNKBEJQWCN-UHFFFAOYSA-N 2 0 239.407 1.545 20 0 BDADRP CC(C)[NH2+]CCN1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000370579253 167107646 /nfs/dbraw/zinc/10/76/46/167107646.db2.gz IMINNSOQOOXLMH-KBPBESRZSA-N 2 0 239.407 1.543 20 0 BDADRP Cc1ccc(C[NH2+]C[C@H](C)C[NH3+])c(C)c1 ZINC000258871170 322879131 /nfs/dbraw/zinc/87/91/31/322879131.db2.gz ZUOUWMRCJIKHEY-LLVKDONJSA-N 2 0 206.333 1.988 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+]C2CCOCC2)cc1 ZINC000258864645 322879331 /nfs/dbraw/zinc/87/93/31/322879331.db2.gz AJZNXOXFHMOPQC-UHFFFAOYSA-N 2 0 220.316 1.414 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCOC1(C)C)C1CC[NH+](C)CC1 ZINC000392897979 487557678 /nfs/dbraw/zinc/55/76/78/487557678.db2.gz YJLSKXFTUFLBIC-WCQYABFASA-N 2 0 240.391 1.874 20 0 BDADRP C[C@H]([NH2+][C@H]1CCOC1(C)C)C1CC[NH+](C)CC1 ZINC000392897974 487557687 /nfs/dbraw/zinc/55/76/87/487557687.db2.gz YJLSKXFTUFLBIC-AAEUAGOBSA-N 2 0 240.391 1.874 20 0 BDADRP COc1ccccc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000259101119 322881986 /nfs/dbraw/zinc/88/19/86/322881986.db2.gz UPBISJCLZDESDM-LBPRGKRZSA-N 2 0 234.343 1.784 20 0 BDADRP COc1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000259182075 322882262 /nfs/dbraw/zinc/88/22/62/322882262.db2.gz ZGZSCXSAXVZNDX-ZDUSSCGKSA-N 2 0 234.343 1.784 20 0 BDADRP C[C@@H]1CCC[C@@H]([NH2+]C[C@@](C)(O)C[NH+](C)C)CC1 ZINC000227928255 487568822 /nfs/dbraw/zinc/56/88/22/487568822.db2.gz LVJNPCPIVAQEPJ-MGPQQGTHSA-N 2 0 242.407 1.857 20 0 BDADRP CC(C)(C)C[C@H](CO)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000393518707 487575088 /nfs/dbraw/zinc/57/50/88/487575088.db2.gz MSKMQPKTPYNRPO-SDDRHHMPSA-N 2 0 228.380 1.643 20 0 BDADRP CC(C)OCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339432675 167233786 /nfs/dbraw/zinc/23/37/86/167233786.db2.gz KCSUTXPIXUMIFH-AWEZNQCLSA-N 2 0 240.391 1.829 20 0 BDADRP CC(C)OC[C@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000309583954 167263837 /nfs/dbraw/zinc/26/38/37/167263837.db2.gz RFEQUBJLDLHRQJ-LBPRGKRZSA-N 2 0 226.364 1.651 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCC[NH+]2CCCC2)CS1 ZINC000086934487 487590828 /nfs/dbraw/zinc/59/08/28/487590828.db2.gz CMIGOCZCIOJUEZ-RYUDHWBXSA-N 2 0 228.405 1.956 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CS1 ZINC000086935238 487591919 /nfs/dbraw/zinc/59/19/19/487591919.db2.gz RNEPDSPDROAUAZ-GRYCIOLGSA-N 2 0 240.416 1.954 20 0 BDADRP C[C@H](CCCCO)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000679575668 487608457 /nfs/dbraw/zinc/60/84/57/487608457.db2.gz QEMLGPKKCHLISU-CYBMUJFWSA-N 2 0 242.407 1.859 20 0 BDADRP CC1(C)CCCC[C@H]1C[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000662265183 409559546 /nfs/dbraw/zinc/55/95/46/409559546.db2.gz GCNLPGQAGFULKP-STQMWFEESA-N 2 0 240.391 1.862 20 0 BDADRP CC[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@@H](C)C(C)C ZINC000662255364 409550781 /nfs/dbraw/zinc/55/07/81/409550781.db2.gz YCKLKMIIRRFKMF-STQMWFEESA-N 2 0 240.391 1.874 20 0 BDADRP C[NH+](C)CCC[C@H]1C[N@H+](CCCCF)CCO1 ZINC000662324851 409639120 /nfs/dbraw/zinc/63/91/20/409639120.db2.gz ZDGJBWIJYCOJMF-ZDUSSCGKSA-N 2 0 246.370 1.779 20 0 BDADRP FC1(F)C[C@@H]1OCCN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000662274825 409586278 /nfs/dbraw/zinc/58/62/78/409586278.db2.gz XIZVHJIJOGDFAY-VWYCJHECSA-N 2 0 246.301 1.094 20 0 BDADRP CC(C)=CCC[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000662281808 409603183 /nfs/dbraw/zinc/60/31/83/409603183.db2.gz PHEVDENCMADONC-LBPRGKRZSA-N 2 0 212.337 1.392 20 0 BDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)CC2([NH3+])CC2)cc1 ZINC000662430002 409711458 /nfs/dbraw/zinc/71/14/58/409711458.db2.gz NGBCDUVSEDPSPB-SNVBAGLBSA-N 2 0 247.342 1.204 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC2(CCC2)CC1 ZINC000308731115 409903595 /nfs/dbraw/zinc/90/35/95/409903595.db2.gz TUCZSFUACBWLMN-CYBMUJFWSA-N 2 0 240.391 1.565 20 0 BDADRP CC(C)(CCC[NH3+])NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000653143335 409866620 /nfs/dbraw/zinc/86/66/20/409866620.db2.gz LFIOLJKVEUPRRX-WDEREUQCSA-N 2 0 241.379 1.138 20 0 BDADRP CCN(CC)C[C@H](C)[NH2+][C@@H](C)CCC[NH3+] ZINC000308888513 409935195 /nfs/dbraw/zinc/93/51/95/409935195.db2.gz XJQBCCNSIORPBS-RYUDHWBXSA-N 2 0 215.385 1.434 20 0 BDADRP C[C@H]1CN(C)c2ccccc2C[N@@H+]1CCC[NH3+] ZINC000335253468 487612855 /nfs/dbraw/zinc/61/28/55/487612855.db2.gz VJQVXWKHNWANFY-LBPRGKRZSA-N 2 0 233.359 1.676 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H]3C[C@H]3C2)CC[NH2+]1 ZINC000663501137 410277838 /nfs/dbraw/zinc/27/78/38/410277838.db2.gz SQMQZWRNCAGEEJ-NDBYEHHHSA-N 2 0 208.349 1.716 20 0 BDADRP CC[C@H](COC)[NH2+]CCC1(C[NH3+])CC1 ZINC000650714084 410348542 /nfs/dbraw/zinc/34/85/42/410348542.db2.gz QOMFQBGUWGCKDC-SNVBAGLBSA-N 2 0 200.326 1.130 20 0 BDADRP C[C@@H](CO)C1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000650715199 410350957 /nfs/dbraw/zinc/35/09/57/410350957.db2.gz UBJAKLMEFMSWBX-STQMWFEESA-N 2 0 240.391 1.326 20 0 BDADRP CO[C@@H](C)[C@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650763653 410415322 /nfs/dbraw/zinc/41/53/22/410415322.db2.gz GNYHJWBQQCXBEE-QWRGUYRKSA-N 2 0 214.353 1.389 20 0 BDADRP C1C[C@@H]2O[C@H]1C[C@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000650742804 410377658 /nfs/dbraw/zinc/37/76/58/410377658.db2.gz DUZDEMNLRHYTDP-LEZGYBIHSA-N 2 0 236.359 1.284 20 0 BDADRP CC[C@@H]([NH2+]CCC1(C[NH3+])CC1)[C@H]1CCOC1 ZINC000650746007 410385525 /nfs/dbraw/zinc/38/55/25/410385525.db2.gz UBGQNOUMHSNNFN-NWDGAFQWSA-N 2 0 226.364 1.520 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+]CCC2(C[NH3+])CC2)C1(C)C ZINC000650745919 410386067 /nfs/dbraw/zinc/38/60/67/410386067.db2.gz QVJYHLNFFYGYAQ-RYUDHWBXSA-N 2 0 240.391 1.909 20 0 BDADRP [NH3+]CC1(CC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000650747524 410387620 /nfs/dbraw/zinc/38/76/20/410387620.db2.gz BSYYBXZHBYFYIX-UONOGXRCSA-N 3 0 245.370 1.850 20 0 BDADRP [NH3+]CC1(CC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000650748652 410390218 /nfs/dbraw/zinc/39/02/18/410390218.db2.gz YWJXASOXWJKIPA-NWDGAFQWSA-N 3 0 225.380 1.365 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650755782 410400732 /nfs/dbraw/zinc/40/07/32/410400732.db2.gz MQRQMERNCXKGEY-UWVGGRQHSA-N 3 0 239.338 1.500 20 0 BDADRP C[C@@H]1COCC[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650761686 410409399 /nfs/dbraw/zinc/40/93/99/410409399.db2.gz HWKZNTLVAHJIHI-DGCLKSJQSA-N 2 0 226.364 1.391 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC2CC[NH2+]CC2)CCO1 ZINC000650762685 410409961 /nfs/dbraw/zinc/40/99/61/410409961.db2.gz HUBCAIBPEXXWRB-DGCLKSJQSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC2CC[NH2+]CC2)c2nccn21 ZINC000650761835 410410371 /nfs/dbraw/zinc/41/03/71/410410371.db2.gz LNIHSQBSMUKTHS-YPMHNXCESA-N 2 0 248.374 1.868 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]CCC2CC[NH2+]CC2)C1 ZINC000650762316 410411223 /nfs/dbraw/zinc/41/12/23/410411223.db2.gz ZWEDHPGSCZJHCJ-UONOGXRCSA-N 2 0 240.391 1.923 20 0 BDADRP COC[C@H]([NH2+]CCC1CC[NH2+]CC1)C(C)C ZINC000650763797 410412443 /nfs/dbraw/zinc/41/24/43/410412443.db2.gz JOYRWTAHFURGBA-ZDUSSCGKSA-N 2 0 228.380 1.637 20 0 BDADRP CC[NH+]1CCC(NC(=O)CCC(C)(C)[NH3+])CC1 ZINC000070087872 410590457 /nfs/dbraw/zinc/59/04/57/410590457.db2.gz WOONOTVNCQYBDL-UHFFFAOYSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C1CCC(CO)CC1 ZINC000309270334 410690644 /nfs/dbraw/zinc/69/06/44/410690644.db2.gz DJJZTIYAWPNLCS-PNESKVBLSA-N 2 0 228.380 1.645 20 0 BDADRP C[C@H]1C[C@@H](NCC2([NH3+])CCCC2)C[N@@H+]1C1CC1 ZINC000665249409 410731978 /nfs/dbraw/zinc/73/19/78/410731978.db2.gz PUCQQAYLHZREKF-NWDGAFQWSA-N 2 0 237.391 1.473 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCC[C@@H](C)O1 ZINC000665264969 410737198 /nfs/dbraw/zinc/73/71/98/410737198.db2.gz NDIKOCLGBRAKPY-FRRDWIJNSA-N 2 0 244.379 1.288 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CCCC1CCC1 ZINC000665266658 410740101 /nfs/dbraw/zinc/74/01/01/410740101.db2.gz GZBJYVQRBHOBGS-CYBMUJFWSA-N 2 0 228.380 1.910 20 0 BDADRP Cc1cncc(CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000665273920 410743008 /nfs/dbraw/zinc/74/30/08/410743008.db2.gz GRLDHPCZWIJJGD-RYUDHWBXSA-N 2 0 234.347 1.187 20 0 BDADRP C[C@H](C1CC1)[N@H+](C[C@H]1CC[NH2+]C1)C1CC1 ZINC000393735459 410757199 /nfs/dbraw/zinc/75/71/99/410757199.db2.gz BFOYMYFJJKCXTQ-MNOVXSKESA-N 2 0 208.349 1.859 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H](C)C[NH3+] ZINC000044798939 169775666 /nfs/dbraw/zinc/77/56/66/169775666.db2.gz IEUYQRWLEYNNQC-NWDGAFQWSA-N 2 0 243.395 1.208 20 0 BDADRP CC(C)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335631301 166970079 /nfs/dbraw/zinc/97/00/79/166970079.db2.gz ABHMXALCWMQVBN-OLZOCXBDSA-N 2 0 210.365 1.964 20 0 BDADRP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C ZINC000309238504 410903561 /nfs/dbraw/zinc/90/35/61/410903561.db2.gz KCKDXCXPEGOUFB-YNEHKIRRSA-N 2 0 230.396 1.712 20 0 BDADRP CC[C@H](O)[C@H](CC)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000313085685 410899301 /nfs/dbraw/zinc/89/93/01/410899301.db2.gz KNPIIQWCXJOWAE-RHYQMDGZSA-N 2 0 214.353 1.395 20 0 BDADRP CC(C)[NH2+]C1CC[NH+](C[C@H](O)C(C)C)CC1 ZINC000336664710 167094920 /nfs/dbraw/zinc/09/49/20/167094920.db2.gz GFCAOXPNJUHOKO-ZDUSSCGKSA-N 2 0 228.380 1.466 20 0 BDADRP CC(C)OCCC[N@H+](C)CC(C)(C)C[NH3+] ZINC000336741874 167209594 /nfs/dbraw/zinc/20/95/94/167209594.db2.gz NOSSOZISAZJNNB-UHFFFAOYSA-N 2 0 216.369 1.718 20 0 BDADRP CC(C)OCCC[NH2+][C@](C)(CN)C1CC1 ZINC000336747411 167226698 /nfs/dbraw/zinc/22/66/98/167226698.db2.gz SAEPNVIXGGMOKO-GFCCVEGCSA-N 2 0 214.353 1.519 20 0 BDADRP CC(C)OCC[NH2+][C@H](C)CCCC[NH3+] ZINC000308652814 167244325 /nfs/dbraw/zinc/24/43/25/167244325.db2.gz LKBHMIBMRVCLLH-LLVKDONJSA-N 2 0 202.342 1.519 20 0 BDADRP CC(C)OC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000337330528 167265771 /nfs/dbraw/zinc/26/57/71/167265771.db2.gz GNOFIBFUAZROJU-STQMWFEESA-N 2 0 240.391 1.874 20 0 BDADRP CC(C)[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000305164050 167379868 /nfs/dbraw/zinc/37/98/68/167379868.db2.gz XVDZVAPSAQFHPA-KGLIPLIRSA-N 2 0 242.407 1.857 20 0 BDADRP CCO[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000042425532 411003652 /nfs/dbraw/zinc/00/36/52/411003652.db2.gz GJRWQSGRFXYQMH-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP CCn1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000400915469 411162774 /nfs/dbraw/zinc/16/27/74/411162774.db2.gz CIXKUFXQPQYCLZ-HZSPNIEDSA-N 2 0 248.374 1.381 20 0 BDADRP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400939110 411162909 /nfs/dbraw/zinc/16/29/09/411162909.db2.gz ALHNJRYWDOWORG-CKIKVBCHSA-N 2 0 238.375 1.124 20 0 BDADRP C[C@@H](O)C[N@H+](CC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000655949222 411161194 /nfs/dbraw/zinc/16/11/94/411161194.db2.gz PZOHAHFESDXGAV-VXGBXAGGSA-N 2 0 226.364 1.221 20 0 BDADRP Cn1cc(CCN2CC3CCC2(C[NH3+])CC3)cn1 ZINC000655942812 411161788 /nfs/dbraw/zinc/16/17/88/411161788.db2.gz WIWZIRMHOSUEDQ-UHFFFAOYSA-N 2 0 248.374 1.166 20 0 BDADRP Cc1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)on1 ZINC000401136193 411168118 /nfs/dbraw/zinc/16/81/18/411168118.db2.gz QRUOHPOQWSRJBX-GRYCIOLGSA-N 2 0 235.331 1.461 20 0 BDADRP Cc1nccn1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401000715 411168419 /nfs/dbraw/zinc/16/84/19/411168419.db2.gz BEHQWUQEHKNBFF-BFHYXJOUSA-N 2 0 248.374 1.169 20 0 BDADRP c1cncc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000401002777 411168490 /nfs/dbraw/zinc/16/84/90/411168490.db2.gz CEUTXLXIVGCZHS-MGPQQGTHSA-N 2 0 231.343 1.559 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CCCCC[C@@H]1CO ZINC000653784010 411170432 /nfs/dbraw/zinc/17/04/32/411170432.db2.gz BMTUADDBSLTIAB-CQSZACIVSA-N 2 0 242.407 1.955 20 0 BDADRP c1cnn(CCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000401039023 411173538 /nfs/dbraw/zinc/17/35/38/411173538.db2.gz SOQRNDSDYWDKBX-MELADBBJSA-N 2 0 248.374 1.251 20 0 BDADRP C[C@H](Cn1ccnc1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401022780 411173575 /nfs/dbraw/zinc/17/35/75/411173575.db2.gz LTCIXYAXSTYFAW-YIYPIFLZSA-N 2 0 248.374 1.249 20 0 BDADRP Cc1c(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cnn1C ZINC000401040283 411174592 /nfs/dbraw/zinc/17/45/92/411174592.db2.gz TVCOBYIYUHYCPC-YRGRVCCFSA-N 2 0 248.374 1.206 20 0 BDADRP CCOCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401055371 411174640 /nfs/dbraw/zinc/17/46/40/411174640.db2.gz HPAPRRQABDKKDQ-FRRDWIJNSA-N 2 0 226.364 1.391 20 0 BDADRP CCOCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401104283 411176584 /nfs/dbraw/zinc/17/65/84/411176584.db2.gz DJPCWOUJDMIXSS-SDDRHHMPSA-N 2 0 212.337 1.001 20 0 BDADRP OCC1(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000401085875 411176641 /nfs/dbraw/zinc/17/66/41/411176641.db2.gz REIBJXFYUFKPSA-JHJVBQTASA-N 2 0 238.375 1.127 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)O1 ZINC000401151788 411178256 /nfs/dbraw/zinc/17/82/56/411178256.db2.gz PUHFWTBDWWEHFN-MBJXGIAVSA-N 2 0 238.375 1.532 20 0 BDADRP CN(CCC[NH3+])C(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000659290169 411183006 /nfs/dbraw/zinc/18/30/06/411183006.db2.gz JDKCMYNXTIZHDP-ZDUSSCGKSA-N 2 0 247.342 1.028 20 0 BDADRP CCC[C@@H](C)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000070800422 411183650 /nfs/dbraw/zinc/18/36/50/411183650.db2.gz JRAGWWSEEAJTDP-CYBMUJFWSA-N 2 0 227.396 1.260 20 0 BDADRP CCN(C)C[C@@H](O)C[N@@H+]1CC(C)(C)[C@H]1C(C)C ZINC000656152500 411187576 /nfs/dbraw/zinc/18/75/76/411187576.db2.gz KSDCTAQOSKQVPW-CHWSQXEVSA-N 2 0 242.407 1.665 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC2(CO)CCC2)CC[N@@H+]1C ZINC000652311604 411198172 /nfs/dbraw/zinc/19/81/72/411198172.db2.gz RNQYFZKZTWAQAT-CHWSQXEVSA-N 2 0 240.391 1.611 20 0 BDADRP [NH3+][C@H]1CCC[C@@H](NCC2([NH3+])CCCCC2)C1 ZINC000656192554 411198345 /nfs/dbraw/zinc/19/83/45/411198345.db2.gz BNWCBJQKNHJCTP-NWDGAFQWSA-N 2 0 225.380 1.508 20 0 BDADRP C[C@H](Cc1ccccn1)[NH2+]C1CCC([NH3+])CC1 ZINC000656193934 411199203 /nfs/dbraw/zinc/19/92/03/411199203.db2.gz YYZUFKOGVQCARW-PNESKVBLSA-N 2 0 233.359 1.872 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[NH2+][C@@H](C)Cc1ccccn1 ZINC000656193274 411199346 /nfs/dbraw/zinc/19/93/46/411199346.db2.gz CWZVUXHOAOIETJ-QWHCGFSZSA-N 2 0 235.375 1.976 20 0 BDADRP C[C@H](Cc1ccccn1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000656193910 411199378 /nfs/dbraw/zinc/19/93/78/411199378.db2.gz YGGPNMFYWXXPOK-OLZOCXBDSA-N 2 0 233.359 1.744 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+][C@@H](C)Cc1ccccn1 ZINC000656193275 411199767 /nfs/dbraw/zinc/19/97/67/411199767.db2.gz CWZVUXHOAOIETJ-STQMWFEESA-N 2 0 235.375 1.976 20 0 BDADRP C[C@H](C[NH2+][C@@H]1COC2(CCC2)C1)C[NH+](C)C ZINC000658019005 411200099 /nfs/dbraw/zinc/20/00/99/411200099.db2.gz WAHDMXJENSNGDB-NEPJUHHUSA-N 2 0 226.364 1.485 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]C[C@H]2CCCC[C@@H]2O)C1 ZINC000656199053 411202064 /nfs/dbraw/zinc/20/20/64/411202064.db2.gz DHBJHRDCXHSDCT-VOAKCMCISA-N 2 0 226.364 1.397 20 0 BDADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c(=O)n1C ZINC000656198726 411203116 /nfs/dbraw/zinc/20/31/16/411203116.db2.gz FPSHJRPDLSZAOF-CHWSQXEVSA-N 2 0 249.358 1.053 20 0 BDADRP Cc1cnc(CC[NH2+][C@H](C)C[C@@H](C)[NH3+])c(C)c1 ZINC000656199655 411203171 /nfs/dbraw/zinc/20/31/71/411203171.db2.gz ACQOSOHBIYDALO-CHWSQXEVSA-N 2 0 235.375 1.956 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656200964 411203918 /nfs/dbraw/zinc/20/39/18/411203918.db2.gz GSXUHWCEVMZHFF-IGQOVBAYSA-N 2 0 239.407 1.719 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]1CCCC[NH2+]1 ZINC000656199680 411204334 /nfs/dbraw/zinc/20/43/34/411204334.db2.gz AWKZURVZDGZXLY-YIYPIFLZSA-N 3 0 239.407 1.447 20 0 BDADRP CO[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000656200186 411204812 /nfs/dbraw/zinc/20/48/12/411204812.db2.gz GSBUQFFCUPZMLK-YVECIDJPSA-N 2 0 226.364 1.804 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000656200121 411204884 /nfs/dbraw/zinc/20/48/84/411204884.db2.gz JXZVQXYICSEAFW-RQJABVFESA-N 3 0 239.407 1.576 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000656201097 411206864 /nfs/dbraw/zinc/20/68/64/411206864.db2.gz SFPJSNWBJDKPDU-WUHRBBMRSA-N 3 0 225.380 1.044 20 0 BDADRP C[N@H+](CCOC(C)(C)C)CC[C@H]1CC[NH2+]C1 ZINC000652343685 411207981 /nfs/dbraw/zinc/20/79/81/411207981.db2.gz FPWGGPRJADIGHW-GFCCVEGCSA-N 2 0 228.380 1.733 20 0 BDADRP C[C@@H]1CCCN(C[C@@H]2CC[NH2+]C2)[C@@H]1CC[NH3+] ZINC000652353520 411211702 /nfs/dbraw/zinc/21/17/02/411211702.db2.gz NXLKAHGPSGFVNO-JHJVBQTASA-N 3 0 225.380 1.045 20 0 BDADRP C[C@@H]1CCCN(C[C@H]2CC[NH2+]C2)[C@H]1CC[NH3+] ZINC000652353518 411212201 /nfs/dbraw/zinc/21/22/01/411212201.db2.gz NXLKAHGPSGFVNO-AGIUHOORSA-N 3 0 225.380 1.045 20 0 BDADRP C[C@@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)[C@@H]1CC[NH3+] ZINC000652355680 411215417 /nfs/dbraw/zinc/21/54/17/411215417.db2.gz DHYHTRZUMXGEFS-HZSPNIEDSA-N 3 0 239.407 1.435 20 0 BDADRP CC[N@H+](CCN[C@H]1CCCCC[C@@H]1[NH3+])C1CC1 ZINC000422883706 411233411 /nfs/dbraw/zinc/23/34/11/411233411.db2.gz VKTUNLYJJQJGOE-KBPBESRZSA-N 2 0 239.407 1.720 20 0 BDADRP CC[NH+]1CCC([NH2+]CC[C@@H](COC)OC)CC1 ZINC000658084802 411234741 /nfs/dbraw/zinc/23/47/41/411234741.db2.gz OHOOWNCLEDKBMG-ZDUSSCGKSA-N 2 0 244.379 1.112 20 0 BDADRP CC(C)[C@@H](C(=O)N(C)CC(C)(C)C[NH3+])[C@H](C)[NH3+] ZINC000422905481 411235200 /nfs/dbraw/zinc/23/52/00/411235200.db2.gz ZDSTWYGTWTWSRB-WDEREUQCSA-N 2 0 243.395 1.049 20 0 BDADRP CC[C@H]([NH2+]C[C@@](C)(O)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000422976513 411236417 /nfs/dbraw/zinc/23/64/17/411236417.db2.gz IMWXTLPECJLNTH-RWMBFGLXSA-N 2 0 226.364 1.268 20 0 BDADRP COCC(C)(C)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400958357 411166560 /nfs/dbraw/zinc/16/65/60/411166560.db2.gz KEZIKTXBBHEFPQ-YNEHKIRRSA-N 2 0 240.391 1.637 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCCO1 ZINC000400971886 411167302 /nfs/dbraw/zinc/16/73/02/411167302.db2.gz MZBIGVLHPMIMAY-XJFOESAGSA-N 2 0 238.375 1.533 20 0 BDADRP CC(C)(CCO)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400970971 411167339 /nfs/dbraw/zinc/16/73/39/411167339.db2.gz PDSQMUSCPGZNOX-RWMBFGLXSA-N 2 0 240.391 1.373 20 0 BDADRP CCN(CC)CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400973450 411167348 /nfs/dbraw/zinc/16/73/48/411167348.db2.gz NZHNPAHVOXEXIA-BFHYXJOUSA-N 2 0 239.407 1.306 20 0 BDADRP CC[C@@H]1COCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000050952755 411269121 /nfs/dbraw/zinc/26/91/21/411269121.db2.gz AYEQQSFLLOLENG-CQSZACIVSA-N 2 0 240.391 1.877 20 0 BDADRP C[NH2+]CCC1CC[NH+](C[C@H]2CC[C@@H](C)O2)CC1 ZINC000129384489 411280868 /nfs/dbraw/zinc/28/08/68/411280868.db2.gz CKXOZHFZKCAUAS-TZMCWYRMSA-N 2 0 240.391 1.875 20 0 BDADRP C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC[NH2+]C1 ZINC000051890074 411285300 /nfs/dbraw/zinc/28/53/00/411285300.db2.gz UAIIAUXPCOZKKR-LBPRGKRZSA-N 2 0 222.307 1.867 20 0 BDADRP CC[C@@H](O)C[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000658190290 411286173 /nfs/dbraw/zinc/28/61/73/411286173.db2.gz QAKLUXQLXGHQIE-TUAOUCFPSA-N 2 0 214.353 1.077 20 0 BDADRP CCOC1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000062911491 411329195 /nfs/dbraw/zinc/32/91/95/411329195.db2.gz DAYJNXGYQJYDEE-CYBMUJFWSA-N 2 0 226.364 1.487 20 0 BDADRP CC[NH+](CC)[C@H]1CCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000062980205 411330437 /nfs/dbraw/zinc/33/04/37/411330437.db2.gz PHQJXJAMKJLHRH-OLZOCXBDSA-N 2 0 225.380 1.012 20 0 BDADRP CCOCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228471000 411302344 /nfs/dbraw/zinc/30/23/44/411302344.db2.gz DPBFKFOMSOCFDY-QJPTWQEYSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)CC2CC2)CC[N@@H+]1C ZINC000658252116 411314689 /nfs/dbraw/zinc/31/46/89/411314689.db2.gz YQAQSCLMYIKVPQ-KWCYVHTRSA-N 2 0 240.391 1.467 20 0 BDADRP CC[N@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@@H]1CCCOC1 ZINC000402782016 411316709 /nfs/dbraw/zinc/31/67/09/411316709.db2.gz OAQHUHWXUPYEMW-BFHYXJOUSA-N 2 0 240.391 1.875 20 0 BDADRP CN(C[C@@H](O)C[N@@H+]1C[C@@H]2CCCC[C@@H]21)C1CC1 ZINC000656701053 411325187 /nfs/dbraw/zinc/32/51/87/411325187.db2.gz BEGKGAOLCXQNNQ-YUTCNCBUSA-N 2 0 238.375 1.316 20 0 BDADRP Cc1cc(C)cc(OCC[N@@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000050247462 411255695 /nfs/dbraw/zinc/25/56/95/411255695.db2.gz UHIUEDQBGGEEHU-AWEZNQCLSA-N 2 0 248.370 1.963 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CCc2cn(C)cn2)CS1 ZINC000655775190 411259643 /nfs/dbraw/zinc/25/96/43/411259643.db2.gz RDBAZGPBKKLIAY-PWSUYJOCSA-N 2 0 239.388 1.836 20 0 BDADRP C[C@H]([NH3+])[C@H]1C[N@H+](C[C@@H](C)C(C)(C)C)CCO1 ZINC000304282617 411358717 /nfs/dbraw/zinc/35/87/17/411358717.db2.gz MLCOKDJPUDWUBO-GRYCIOLGSA-N 2 0 228.380 1.717 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)O1 ZINC000130585124 411358821 /nfs/dbraw/zinc/35/88/21/411358821.db2.gz QLQLWIOACUPGDD-ITGHMWBKSA-N 2 0 238.375 1.613 20 0 BDADRP CC[N@@H+]1CC[C@@H](NCC2([NH3+])CCCC2)[C@@H](C)C1 ZINC000656789594 411369110 /nfs/dbraw/zinc/36/91/10/411369110.db2.gz RSXZCJCXHVYNSI-QWHCGFSZSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)NCC1([NH3+])CCCC1 ZINC000656789636 411369465 /nfs/dbraw/zinc/36/94/65/411369465.db2.gz UBTVWIRERPZRAF-NEPJUHHUSA-N 2 0 225.380 1.378 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)CC[NH2+]1 ZINC000656790802 411370515 /nfs/dbraw/zinc/37/05/15/411370515.db2.gz ARLVBTCZGGQXHP-YIYPIFLZSA-N 2 0 240.391 1.874 20 0 BDADRP C[N@@H+](CC1=CCCOC1)C[C@@H]1CCC[NH2+]C1 ZINC000656790673 411370887 /nfs/dbraw/zinc/37/08/87/411370887.db2.gz IKJAMEHZYWKJAY-GFCCVEGCSA-N 2 0 224.348 1.265 20 0 BDADRP CC1(C[NH2+]Cc2cncs2)CC[NH2+]CC1 ZINC000131606843 168043610 /nfs/dbraw/zinc/04/36/10/168043610.db2.gz QABMJUQUXHUTPU-UHFFFAOYSA-N 2 0 225.361 1.622 20 0 BDADRP COCC[C@H](C)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063197259 411349084 /nfs/dbraw/zinc/34/90/84/411349084.db2.gz CBLSLPZMYBFYII-GXTWGEPZSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1cnccc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000129720242 411378042 /nfs/dbraw/zinc/37/80/42/411378042.db2.gz CBUATVDLMMHOCK-STQMWFEESA-N 2 0 219.332 1.750 20 0 BDADRP C[C@@H]1CCC[N@H+](CCn2cccn2)[C@H]1CC[NH3+] ZINC000404384481 411392145 /nfs/dbraw/zinc/39/21/45/411392145.db2.gz NQLORVYCEKHICK-OLZOCXBDSA-N 2 0 236.363 1.332 20 0 BDADRP C[C@H]1C[N@H+](CCOCC[NH3+])CCc2ccccc21 ZINC000404843263 411409611 /nfs/dbraw/zinc/40/96/11/411409611.db2.gz CMIALSDOLWRBFL-ZDUSSCGKSA-N 2 0 248.370 1.624 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC2(CC2)CC1 ZINC000653593573 411426679 /nfs/dbraw/zinc/42/66/79/411426679.db2.gz GAKVCCUTEQSPCU-LBPRGKRZSA-N 2 0 226.364 1.175 20 0 BDADRP C[NH2+]Cc1ccccc1NC(=O)C[C@H]1CCC[NH2+]1 ZINC000122746424 411435137 /nfs/dbraw/zinc/43/51/37/411435137.db2.gz XUZOXCXSFXHVLI-GFCCVEGCSA-N 2 0 247.342 1.487 20 0 BDADRP c1cc2c(c(C[NH2+]CC[C@H]3CC[NH2+]C3)c1)OCO2 ZINC000414824148 411446546 /nfs/dbraw/zinc/44/65/46/411446546.db2.gz AIBNXHOWSUUSFR-LLVKDONJSA-N 2 0 248.326 1.505 20 0 BDADRP CC[C@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)CO1 ZINC000657334497 411464097 /nfs/dbraw/zinc/46/40/97/411464097.db2.gz BVSTYKNVLNSGHA-NEPJUHHUSA-N 2 0 214.353 1.485 20 0 BDADRP C[C@@H]1C[C@H]([NH+]2CCC([NH+](C)C)CC2)CCO1 ZINC000659837595 411470324 /nfs/dbraw/zinc/47/03/24/411470324.db2.gz GMCVBKXNTGSBQL-DGCLKSJQSA-N 2 0 226.364 1.580 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CC)CC2)CO1 ZINC000657346678 411470893 /nfs/dbraw/zinc/47/08/93/411470893.db2.gz HCNAFQUNJHTYPY-UONOGXRCSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H](CCO)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657369248 411483719 /nfs/dbraw/zinc/48/37/19/411483719.db2.gz ZSPVPTZSKFITSH-NSHDSACASA-N 2 0 246.314 1.128 20 0 BDADRP C[N@H+](CCNC[C@@]1(C)CC[NH2+]C1)C1CCCC1 ZINC000415089251 411491780 /nfs/dbraw/zinc/49/17/80/411491780.db2.gz YQLOLAAVHZSTAC-AWEZNQCLSA-N 2 0 239.407 1.450 20 0 BDADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](C[C@@H]1CCOC1)C2 ZINC000309474481 411497159 /nfs/dbraw/zinc/49/71/59/411497159.db2.gz UZVPBOPDRGVRCP-AVGNSLFASA-N 2 0 224.348 1.084 20 0 BDADRP COC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)C1CC1 ZINC000655805054 411519095 /nfs/dbraw/zinc/51/90/95/411519095.db2.gz ANLOTYMREHGMOU-KGYLQXTDSA-N 2 0 226.364 1.341 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)[C@H](C)O1 ZINC000655804311 411519483 /nfs/dbraw/zinc/51/94/83/411519483.db2.gz UDMRWVFZFWBDGO-FHUSYTEZSA-N 2 0 226.364 1.482 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)[C@H](C)O1 ZINC000655804314 411519568 /nfs/dbraw/zinc/51/95/68/411519568.db2.gz UDMRWVFZFWBDGO-RXGFPQBGSA-N 2 0 226.364 1.482 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cocn2)C1 ZINC000655824062 411526656 /nfs/dbraw/zinc/52/66/56/411526656.db2.gz DFEYQUPLBIYHSO-JGZJWPJOSA-N 2 0 209.293 1.104 20 0 BDADRP Cn1cnc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000660013775 411528668 /nfs/dbraw/zinc/52/86/68/411528668.db2.gz YSSQJEPCTDAJIB-GXTWGEPZSA-N 2 0 248.374 1.336 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)CO1 ZINC000657491139 411532066 /nfs/dbraw/zinc/53/20/66/411532066.db2.gz CGUIKWMHSPFDJX-MGPQQGTHSA-N 2 0 240.391 1.875 20 0 BDADRP O[C@H](C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C[NH+]1CCCC1 ZINC000657325693 411465262 /nfs/dbraw/zinc/46/52/62/411465262.db2.gz JKYXLPVKSKUELS-MQYQWHSLSA-N 2 0 238.375 1.221 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CO[C@@H](CC)C2)C1 ZINC000657327165 411466302 /nfs/dbraw/zinc/46/63/02/411466302.db2.gz ZCOLYUNJPWJDSC-MCIONIFRSA-N 2 0 240.391 1.875 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCOC)C[C@@H]1C ZINC000336684808 170010690 /nfs/dbraw/zinc/01/06/90/170010690.db2.gz UXGVMTUQIPDPDF-QWHCGFSZSA-N 2 0 228.380 1.828 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCSC2)C1 ZINC000061588212 170010755 /nfs/dbraw/zinc/01/07/55/170010755.db2.gz PHZLQACNPGKFEQ-NWDGAFQWSA-N 2 0 228.405 1.813 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCN2CCC2)[C@H](C)C1 ZINC000336780567 170013136 /nfs/dbraw/zinc/01/31/36/170013136.db2.gz RRDFKSKEYDERBU-CHWSQXEVSA-N 2 0 225.380 1.012 20 0 BDADRP CC[N@@H+]1CC[C@@H](NCc2c[nH]nc2C)[C@H](C)C1 ZINC000358168934 170013389 /nfs/dbraw/zinc/01/33/89/170013389.db2.gz OIIOLGDOIKBMCO-ZWNOBZJWSA-N 2 0 236.363 1.538 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)C(C)(C)OC)C1 ZINC000300921366 170016125 /nfs/dbraw/zinc/01/61/25/170016125.db2.gz DWMRCSBSGGDQPJ-NWDGAFQWSA-N 2 0 228.380 1.731 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cn[nH]c2)C1 ZINC000296026758 170016517 /nfs/dbraw/zinc/01/65/17/170016517.db2.gz PUMRYLSZAVXWIK-GHMZBOCLSA-N 2 0 222.336 1.402 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CCCOC2)C1 ZINC000356855248 170017426 /nfs/dbraw/zinc/01/74/26/170017426.db2.gz UZYCBNVVYWJZDO-BFHYXJOUSA-N 2 0 240.391 1.733 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCSC2)C1 ZINC000061588211 170017477 /nfs/dbraw/zinc/01/74/77/170017477.db2.gz PHZLQACNPGKFEQ-VXGBXAGGSA-N 2 0 228.405 1.813 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)C(C)C)[C@@H](C)C1 ZINC000336694032 170019565 /nfs/dbraw/zinc/01/95/65/170019565.db2.gz IFINDLJHJOKYPX-IHRRRGAJSA-N 2 0 242.407 1.665 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccncc2)[C@@H](C)C1 ZINC000268989004 170021092 /nfs/dbraw/zinc/02/10/92/170021092.db2.gz FSDOJYBFMIGVKM-ZFWWWQNUSA-N 2 0 247.386 1.944 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)CCO)[C@H](C)C1 ZINC000121936952 170021559 /nfs/dbraw/zinc/02/15/59/170021559.db2.gz IVHRTAKALYNPJQ-XQQFMLRXSA-N 2 0 228.380 1.325 20 0 BDADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@H](C)C[NH+](C)C(C)C)C1 ZINC000353568070 170040095 /nfs/dbraw/zinc/04/00/95/170040095.db2.gz OTNJAMHLSINZLD-BFHYXJOUSA-N 2 0 241.423 1.645 20 0 BDADRP CC[NH2+]CC1CC[NH+](CCn2cccn2)CC1 ZINC000053659129 170111955 /nfs/dbraw/zinc/11/19/55/170111955.db2.gz GDJGRNPEDZQPDV-UHFFFAOYSA-N 2 0 236.363 1.205 20 0 BDADRP CC[NH2+]CCNc1nc2ccccc2[nH]1 ZINC000049754114 170116299 /nfs/dbraw/zinc/11/62/99/170116299.db2.gz HIWQECXHLVEADQ-UHFFFAOYSA-N 2 0 204.277 1.584 20 0 BDADRP CC[NH2+]Cc1cccc(NC(=O)[C@H](C)C[NH3+])c1 ZINC000262262632 170128535 /nfs/dbraw/zinc/12/85/35/170128535.db2.gz URBBWZZEABMYRI-SNVBAGLBSA-N 2 0 235.331 1.329 20 0 BDADRP CCOC(=O)CCCCC[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000300048566 170200036 /nfs/dbraw/zinc/20/00/36/170200036.db2.gz LGYZXKGNQJGXRM-VXGBXAGGSA-N 2 0 242.363 1.389 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000657611179 411563396 /nfs/dbraw/zinc/56/33/96/411563396.db2.gz KSEZDVZKHZGETA-FQUUOJAGSA-N 2 0 238.375 1.770 20 0 BDADRP CCOC1CC([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000124777029 170329705 /nfs/dbraw/zinc/32/97/05/170329705.db2.gz KSEZDVZKHZGETA-NELGMTEASA-N 2 0 238.375 1.770 20 0 BDADRP CCOC1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000040690188 170332151 /nfs/dbraw/zinc/33/21/51/170332151.db2.gz BSYWNUGLBPULPW-GFCCVEGCSA-N 2 0 226.364 1.487 20 0 BDADRP CCOCC[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000126718382 170388120 /nfs/dbraw/zinc/38/81/20/170388120.db2.gz DTENRBXFJOFKFT-NSHDSACASA-N 2 0 202.342 1.328 20 0 BDADRP CCOCC[N@H+](CC)CCC1CC[NH2+]CC1 ZINC000082537326 170394567 /nfs/dbraw/zinc/39/45/67/170394567.db2.gz ZJGSNYRGONFZNW-UHFFFAOYSA-N 2 0 228.380 1.735 20 0 BDADRP FCCOCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000663338853 411630153 /nfs/dbraw/zinc/63/01/53/411630153.db2.gz OKTRYHMRIFGDLY-NWDGAFQWSA-N 2 0 230.327 1.189 20 0 BDADRP CCOC[C@@H](C)[NH2+]CCC1CC[NH+](C)CC1 ZINC000122139563 170431186 /nfs/dbraw/zinc/43/11/86/170431186.db2.gz IEIJLVPPVUCZLT-GFCCVEGCSA-N 2 0 228.380 1.733 20 0 BDADRP c1c[nH]c(C[NH2+]CC2CC[NH+](CC3CC3)CC2)n1 ZINC000657812109 411603632 /nfs/dbraw/zinc/60/36/32/411603632.db2.gz LDGSJBCOLRLFOE-UHFFFAOYSA-N 2 0 248.374 1.621 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)C2(OC)CCC2)C1 ZINC000657843461 411610269 /nfs/dbraw/zinc/61/02/69/411610269.db2.gz ZCRGDJXCLORUNG-OLZOCXBDSA-N 2 0 240.391 1.875 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000657875220 411615017 /nfs/dbraw/zinc/61/50/17/411615017.db2.gz BSXGDUJZVXAMHD-OLZOCXBDSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@H](CO)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660665950 411615986 /nfs/dbraw/zinc/61/59/86/411615986.db2.gz ZZLZRAKPOPAFMK-QWHCGFSZSA-N 2 0 226.364 1.033 20 0 BDADRP Cc1c[nH+]ccc1NCCC[NH+]1CCC(O)CC1 ZINC000663403652 411648749 /nfs/dbraw/zinc/64/87/49/411648749.db2.gz XPNQTBLONIKOIO-UHFFFAOYSA-N 2 0 249.358 1.071 20 0 BDADRP C[C@@H](CCC1CC1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663498338 411681145 /nfs/dbraw/zinc/68/11/45/411681145.db2.gz OYFWZXNYMWETPZ-PKSQDBQZSA-N 2 0 208.349 1.907 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000663502504 411686451 /nfs/dbraw/zinc/68/64/51/411686451.db2.gz IAMVQTFLRJEYOL-QJPTWQEYSA-N 2 0 213.369 1.219 20 0 BDADRP C[C@H]1C[C@H](C[N@H+](C)CC2=CCSC2)CC[NH2+]1 ZINC000663506237 411687897 /nfs/dbraw/zinc/68/78/97/411687897.db2.gz KPLVPXJUJLOLJM-NWDGAFQWSA-N 2 0 240.416 1.980 20 0 BDADRP Cc1cc(CO)cc(N2C[C@H]3CC[N@@H+](C)[C@H]3C2)n1 ZINC000663972792 411797049 /nfs/dbraw/zinc/79/70/49/411797049.db2.gz KAAYPZRUJKOHQC-OLZOCXBDSA-N 2 0 247.342 1.023 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000661831614 411894750 /nfs/dbraw/zinc/89/47/50/411894750.db2.gz PNQNALSADURFHQ-AGIUHOORSA-N 2 0 238.375 1.364 20 0 BDADRP [NH3+]CC1CC[NH+](CCO[C@H]2CC2(F)F)CC1 ZINC000662234212 412032881 /nfs/dbraw/zinc/03/28/81/412032881.db2.gz JXNKVONVDKCVNG-JTQLQIEISA-N 2 0 234.290 1.081 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662244746 412042194 /nfs/dbraw/zinc/04/21/94/412042194.db2.gz GUIQXOYGYBZUSM-LBPRGKRZSA-N 3 0 245.370 1.113 20 0 BDADRP Cc1cc(CN2CCC[C@@H]([C@H](C)[NH3+])C2)nc(C)n1 ZINC000662247486 412044812 /nfs/dbraw/zinc/04/48/12/412044812.db2.gz ZZOLLEZTBAKFSZ-WCQYABFASA-N 2 0 248.374 1.653 20 0 BDADRP C[C@@H]1C[C@H](C)C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662249627 412045828 /nfs/dbraw/zinc/04/58/28/412045828.db2.gz QQRSDXLLEWVGCF-FRRDWIJNSA-N 2 0 238.375 1.485 20 0 BDADRP CC(C)C[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662248632 412047650 /nfs/dbraw/zinc/04/76/50/412047650.db2.gz IGPWQKUZEFPENI-LLVKDONJSA-N 2 0 212.337 1.095 20 0 BDADRP CC(C)[N@H+](CC1CC1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252203 412049027 /nfs/dbraw/zinc/04/90/27/412049027.db2.gz MEJSNLKBUQWVDL-CYBMUJFWSA-N 2 0 238.375 1.628 20 0 BDADRP CCC1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662253771 412049535 /nfs/dbraw/zinc/04/95/35/412049535.db2.gz WKOGKBXIGXSZJD-ZDUSSCGKSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCO[C@@H]1CC1(F)F ZINC000662264323 412053555 /nfs/dbraw/zinc/05/35/55/412053555.db2.gz ILDVDOVSIWGQNW-KXUCPTDWSA-N 2 0 234.290 1.080 20 0 BDADRP C[NH2+]CCC1CC[NH+](Cc2conc2C)CC1 ZINC000662265937 412058200 /nfs/dbraw/zinc/05/82/00/412058200.db2.gz UPMAEZHHMBBILA-UHFFFAOYSA-N 2 0 237.347 1.805 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)CCS1 ZINC000222154957 171086138 /nfs/dbraw/zinc/08/61/38/171086138.db2.gz MEDJTOAWBDPJKE-NEPJUHHUSA-N 2 0 228.405 1.813 20 0 BDADRP CC(C)=CCC[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000662272892 412066288 /nfs/dbraw/zinc/06/62/88/412066288.db2.gz KFYMGSMIUMRETI-AWEZNQCLSA-N 2 0 237.391 1.322 20 0 BDADRP CC[C@@H]1C[C@H](C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CCO1 ZINC000359463402 171130684 /nfs/dbraw/zinc/13/06/84/171130684.db2.gz ZGVJIBLVZMDXFN-AAVRWANBSA-N 2 0 238.375 1.343 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1)C1CCC1 ZINC000662280830 412071484 /nfs/dbraw/zinc/07/14/84/412071484.db2.gz GECCOVXTEAQBCX-FPMFFAJLSA-N 2 0 240.391 1.718 20 0 BDADRP CC[C@@]1(C)COCCN1CC[C@H]1CCC[N@@H+]1C ZINC000336717599 171203900 /nfs/dbraw/zinc/20/39/00/171203900.db2.gz WLUQYNYTNDAWJK-KGLIPLIRSA-N 2 0 240.391 1.972 20 0 BDADRP CC[C@@H]1[C@@H](C)CC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662282242 412071900 /nfs/dbraw/zinc/07/19/00/412071900.db2.gz OAWPCGJAIZOSFB-YNEHKIRRSA-N 2 0 238.375 1.628 20 0 BDADRP CC[C@H](C(=O)NC[C@H](C)[NH+](CC)CC)[NH+](C)C ZINC000126396093 171229571 /nfs/dbraw/zinc/22/95/71/171229571.db2.gz PPPCXGGHYXPDPF-NWDGAFQWSA-N 2 0 243.395 1.173 20 0 BDADRP C[C@@H]1CC[N@H+](CCO[C@@H]2CC2(F)F)C[C@H]1C[NH3+] ZINC000662282752 412073286 /nfs/dbraw/zinc/07/32/86/412073286.db2.gz QJKQRUWKKLYZLP-GMTAPVOTSA-N 2 0 248.317 1.327 20 0 BDADRP COCC[NH2+]C1CC[NH+](CCC2CCC2)CC1 ZINC000662283604 412074586 /nfs/dbraw/zinc/07/45/86/412074586.db2.gz BKZSSVSYHXYNFU-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP COCC[NH2+]C1CC[NH+](CC2CC=CC2)CC1 ZINC000662283650 412074787 /nfs/dbraw/zinc/07/47/87/412074787.db2.gz CIWFRSXRPHKLLD-UHFFFAOYSA-N 2 0 238.375 1.653 20 0 BDADRP Cn1cncc1CCC[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000662283957 412075158 /nfs/dbraw/zinc/07/51/58/412075158.db2.gz RXJMJDWVZHVTDB-CHWSQXEVSA-N 2 0 236.363 1.212 20 0 BDADRP C[N@H+](CC[C@@H]1CCCCO1)CC(C)(C)[NH3+] ZINC000662296167 412083391 /nfs/dbraw/zinc/08/33/91/412083391.db2.gz XDRKKOHQDIEDAL-NSHDSACASA-N 2 0 214.353 1.615 20 0 BDADRP CC[C@H](C)[N@H+](C)CCNC(=O)C1([NH3+])CCCC1 ZINC000226396665 171306300 /nfs/dbraw/zinc/30/63/00/171306300.db2.gz OYQRCCYSGFBSEF-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C(C)(C)C ZINC000662287128 412080463 /nfs/dbraw/zinc/08/04/63/412080463.db2.gz WHMWFLTZSVWXMM-SNVBAGLBSA-N 2 0 212.337 1.238 20 0 BDADRP C[C@H](N)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294691 412081909 /nfs/dbraw/zinc/08/19/09/412081909.db2.gz RVWOFMLASURNBT-WCQYABFASA-N 2 0 225.380 1.045 20 0 BDADRP CC[C@H](C)[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])OC ZINC000362978262 171393137 /nfs/dbraw/zinc/39/31/37/171393137.db2.gz YMLQHEXXNIYWJP-RVMXOQNASA-N 2 0 228.380 1.765 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCC[C@@H](C)[C@H]1CCO ZINC000662303110 412087046 /nfs/dbraw/zinc/08/70/46/412087046.db2.gz SPXMLBWJDPVAKO-VXGBXAGGSA-N 2 0 214.353 1.079 20 0 BDADRP C[C@@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)[C@@H]1CCO ZINC000662303315 412088639 /nfs/dbraw/zinc/08/86/39/412088639.db2.gz VXSWZRCFZRJPRO-HZSPNIEDSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@@H]([NH3+])CN1C[C@@H]([NH3+])CCc2ccccc21 ZINC000662302807 412089296 /nfs/dbraw/zinc/08/92/96/412089296.db2.gz PESSPCULUHNXDN-PWSUYJOCSA-N 2 0 219.332 1.114 20 0 BDADRP C[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000662310842 412094126 /nfs/dbraw/zinc/09/41/26/412094126.db2.gz NXSDXNQHISDKLL-CYZMBNFOSA-N 2 0 236.363 1.068 20 0 BDADRP CC[C@@H]1CCC[C@H](C)[N@@H+]1CCOCC[NH3+] ZINC000662319672 412100146 /nfs/dbraw/zinc/10/01/46/412100146.db2.gz PRBZUSZZIDXUBR-NWDGAFQWSA-N 2 0 214.353 1.615 20 0 BDADRP CC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662322732 412100212 /nfs/dbraw/zinc/10/02/12/412100212.db2.gz NCBJJCIGEYAIQU-LLVKDONJSA-N 2 0 200.326 1.049 20 0 BDADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)C[C@@H]1CC1(C)C ZINC000662331681 412104543 /nfs/dbraw/zinc/10/45/43/412104543.db2.gz PVMPPOLGLKAPES-RYUDHWBXSA-N 2 0 210.365 1.964 20 0 BDADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)CC1=CCSC1 ZINC000662327078 412104656 /nfs/dbraw/zinc/10/46/56/412104656.db2.gz IGFYSUOQRBDRPX-NSHDSACASA-N 2 0 226.389 1.591 20 0 BDADRP C[N@H+](C[C@@H]1CC1(C)C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662331617 412104908 /nfs/dbraw/zinc/10/49/08/412104908.db2.gz OIWXLXVEWLWTNK-RYUDHWBXSA-N 2 0 238.375 1.485 20 0 BDADRP Cc1ccncc1CC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000665238934 412180908 /nfs/dbraw/zinc/18/09/08/412180908.db2.gz HVXJERDIVZNXPF-ZFWWWQNUSA-N 2 0 247.386 1.910 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C/C=C\CO ZINC000665239411 412181049 /nfs/dbraw/zinc/18/10/49/412181049.db2.gz SQVYQGCEBUAUOV-QLQVPFRHSA-N 2 0 226.364 1.435 20 0 BDADRP [NH3+]CC1CCC([NH2+]CCc2ccoc2)CC1 ZINC000665261435 412203819 /nfs/dbraw/zinc/20/38/19/412203819.db2.gz CJSKZVNGDGWUMB-UHFFFAOYSA-N 2 0 222.332 1.929 20 0 BDADRP c1cc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)co1 ZINC000665262893 412205846 /nfs/dbraw/zinc/20/58/46/412205846.db2.gz BFHNADMVZJHMBX-MELADBBJSA-N 2 0 234.343 1.800 20 0 BDADRP CC[C@@H](O)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000665262169 412205954 /nfs/dbraw/zinc/20/59/54/412205954.db2.gz VTIFRUBFSBJSOY-YVECIDJPSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCc2cc(N)ccc21)C1C[NH2+]C1 ZINC000665271250 412213748 /nfs/dbraw/zinc/21/37/48/412213748.db2.gz JULKOCNJCGRVFU-OTYXRUKQSA-N 2 0 231.343 1.454 20 0 BDADRP CC[C@@H]([NH2+]C)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000662416101 412158388 /nfs/dbraw/zinc/15/83/88/412158388.db2.gz SXOMRVHQZDRHSQ-GFCCVEGCSA-N 2 0 247.342 1.269 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H](C)c1ccccn1 ZINC000665231903 412169597 /nfs/dbraw/zinc/16/95/97/412169597.db2.gz APUVOTJWJCCMNE-GRYCIOLGSA-N 2 0 221.348 1.901 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cccc(N)c1 ZINC000665232329 412169802 /nfs/dbraw/zinc/16/98/02/412169802.db2.gz KZDPIAJGBWBJID-LLVKDONJSA-N 2 0 221.348 1.876 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](CO)C1CCC1 ZINC000665235279 412174615 /nfs/dbraw/zinc/17/46/15/412174615.db2.gz SXTYEJYSVSMHQM-PWSUYJOCSA-N 2 0 214.353 1.255 20 0 BDADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000662730706 412286427 /nfs/dbraw/zinc/28/64/27/412286427.db2.gz NCNYYFDMJBRDOP-TUAOUCFPSA-N 2 0 243.395 1.095 20 0 BDADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+] ZINC000662730704 412286800 /nfs/dbraw/zinc/28/68/00/412286800.db2.gz NCNYYFDMJBRDOP-IJLUTSLNSA-N 2 0 243.395 1.095 20 0 BDADRP Cc1cncc(CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000665273919 412216242 /nfs/dbraw/zinc/21/62/42/412216242.db2.gz GRLDHPCZWIJJGD-NWDGAFQWSA-N 2 0 234.347 1.187 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CC1=CCCC1 ZINC000665274476 412216730 /nfs/dbraw/zinc/21/67/30/412216730.db2.gz QUMNNNRDSFMOFV-GFCCVEGCSA-N 2 0 212.337 1.440 20 0 BDADRP CCC[N@@H+]1CC[C@@H](N[C@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000665274609 412216953 /nfs/dbraw/zinc/21/69/53/412216953.db2.gz UKMZCXYTGMCUMS-UPJWGTAASA-N 2 0 225.380 1.201 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000665274380 412217599 /nfs/dbraw/zinc/21/75/99/412217599.db2.gz PAEQJILZUDEYCT-AVGNSLFASA-N 2 0 225.380 1.058 20 0 BDADRP CO[C@@H](C[NH2+][C@H](C)C1C[NH2+]C1)C1CCCC1 ZINC000665275525 412218620 /nfs/dbraw/zinc/21/86/20/412218620.db2.gz MJOYAWJSWIAWCJ-MFKMUULPSA-N 2 0 226.364 1.389 20 0 BDADRP CO[C@@H](C[NH2+][C@@H](C)C1C[NH2+]C1)C1CCCC1 ZINC000665275523 412219345 /nfs/dbraw/zinc/21/93/45/412219345.db2.gz MJOYAWJSWIAWCJ-GWCFXTLKSA-N 2 0 226.364 1.389 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000665280456 412224108 /nfs/dbraw/zinc/22/41/08/412224108.db2.gz BWJUHNHPQMLPLV-JHJVBQTASA-N 2 0 227.396 1.432 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000665280457 412225002 /nfs/dbraw/zinc/22/50/02/412225002.db2.gz BWJUHNHPQMLPLV-RWMBFGLXSA-N 2 0 227.396 1.432 20 0 BDADRP C([NH2+][C@@H](C1CC1)C1CCC1)C12CC(C1)C[NH2+]2 ZINC000665280070 412225069 /nfs/dbraw/zinc/22/50/69/412225069.db2.gz SFGPJYLKUTWHKU-IWXRYERYSA-N 2 0 220.360 1.907 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000665281166 412226845 /nfs/dbraw/zinc/22/68/45/412226845.db2.gz WJQAOYJUSJIAGU-SGMGOOAPSA-N 2 0 239.407 1.575 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CCOC[C@@H]1C ZINC000665282166 412227773 /nfs/dbraw/zinc/22/77/73/412227773.db2.gz SCABOLDPWVCIBK-TUAOUCFPSA-N 2 0 214.353 1.374 20 0 BDADRP CC[C@@H]([NH2+]C)C(=O)NCc1ccccc1C[NH2+]C ZINC000662583427 412228505 /nfs/dbraw/zinc/22/85/05/412228505.db2.gz JGMCCSSUCITXCF-CYBMUJFWSA-N 2 0 249.358 1.020 20 0 BDADRP CC[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)C(C)C ZINC000665289785 412235884 /nfs/dbraw/zinc/23/58/84/412235884.db2.gz XEMINVYNQRHVDL-JTQLQIEISA-N 2 0 238.335 1.165 20 0 BDADRP C[NH2+]C[C@H](C)N[C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000665298859 412248443 /nfs/dbraw/zinc/24/84/43/412248443.db2.gz AZQNPOSRGJMPMJ-OUCADQQQSA-N 2 0 235.375 1.142 20 0 BDADRP CCC(CC)(C[NH3+])C(=O)NCC[C@@H](C)[NH+](C)C ZINC000662858011 412326687 /nfs/dbraw/zinc/32/66/87/412326687.db2.gz DJIITXBIMZRYAL-LLVKDONJSA-N 2 0 243.395 1.208 20 0 BDADRP [NH3+]C1(CNC(=O)C2([NH3+])CCCCC2)CCCC1 ZINC000662865615 412329143 /nfs/dbraw/zinc/32/91/43/412329143.db2.gz XZGQKBMMMCMCPI-UHFFFAOYSA-N 2 0 239.363 1.036 20 0 BDADRP CCC(CC)(C[NH3+])C(=O)NCC1([NH3+])CCCC1 ZINC000662863115 412329457 /nfs/dbraw/zinc/32/94/57/412329457.db2.gz LAMFVNYQKVDWBG-UHFFFAOYSA-N 2 0 241.379 1.139 20 0 BDADRP [NH3+][C@H]1C[C@H](c2nc(C3([NH3+])CCCC3)no2)C1 ZINC000663250894 412401091 /nfs/dbraw/zinc/40/10/91/412401091.db2.gz JWYMAOPNWIGNAQ-ZKCHVHJHSA-N 2 0 222.292 1.002 20 0 BDADRP CCc1nccn1Cc1ccc(N)nc1 ZINC000050830063 172026790 /nfs/dbraw/zinc/02/67/90/172026790.db2.gz GXMSFOGTFGRTBU-UHFFFAOYSA-N 2 0 202.261 1.471 20 0 BDADRP CCn1cc(CN2CC[C@@H]([NH3+])[C@@H](C)C2)cn1 ZINC000227073395 172166004 /nfs/dbraw/zinc/16/60/04/172166004.db2.gz QYKHWGGVZQNPKY-CMPLNLGQSA-N 2 0 222.336 1.072 20 0 BDADRP CCn1nccc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000160235175 172265723 /nfs/dbraw/zinc/26/57/23/172265723.db2.gz OGCLUBCJDARIRU-GFCCVEGCSA-N 2 0 236.363 1.464 20 0 BDADRP C[NH+](C)CC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000336693794 172426235 /nfs/dbraw/zinc/42/62/35/172426235.db2.gz DYFOVPFEHAMOHX-ZDUSSCGKSA-N 2 0 226.364 1.297 20 0 BDADRP C[NH+]1CCC(C[NH2+]CCc2ccc(O)cc2)CC1 ZINC000054243481 172985041 /nfs/dbraw/zinc/98/50/41/172985041.db2.gz BULIXVZXLZUHFL-UHFFFAOYSA-N 2 0 248.370 1.866 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](CO)CC1 ZINC000339750625 173027206 /nfs/dbraw/zinc/02/72/06/173027206.db2.gz OIRKECHBJWMBGP-ZIAGYGMSSA-N 2 0 240.391 1.565 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](n2cccn2)C1 ZINC000361591000 173053881 /nfs/dbraw/zinc/05/38/81/173053881.db2.gz WZFICYAFDFFQHX-UONOGXRCSA-N 2 0 248.374 1.614 20 0 BDADRP C[NH+]1CCN(CCC[NH2+]CC(C)(C)C)CC1 ZINC000041051163 173078047 /nfs/dbraw/zinc/07/80/47/173078047.db2.gz NGSSVHPWADOXKP-UHFFFAOYSA-N 2 0 227.396 1.260 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCOC3CCC3)C2)C1 ZINC000368637882 173139273 /nfs/dbraw/zinc/13/92/73/173139273.db2.gz ZHJSPKHFVWAFEI-CQSZACIVSA-N 2 0 238.375 1.583 20 0 BDADRP C[N@@H+]1CC[C@H](CNC(N)=[NH2+])[C@@H]1c1cccs1 ZINC000361940763 173145359 /nfs/dbraw/zinc/14/53/59/173145359.db2.gz CFRBOCYRDOHLNZ-PSASIEDQSA-N 2 0 238.360 1.224 20 0 BDADRP C[N@@H+]1CC[C@H](CNC(N)=[NH2+])[C@H]1c1cccs1 ZINC000361940764 173145650 /nfs/dbraw/zinc/14/56/50/173145650.db2.gz CFRBOCYRDOHLNZ-SCZZXKLOSA-N 2 0 238.360 1.224 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CCc2cn[nH]c2)[C@H]2CCC[C@@H]21 ZINC000353609187 173152617 /nfs/dbraw/zinc/15/26/17/173152617.db2.gz BGZSDXQZMFMCRJ-RDBSUJKOSA-N 2 0 248.374 1.415 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CCn2cccn2)[C@@H]2CCC[C@@H]21 ZINC000353391232 173153551 /nfs/dbraw/zinc/15/35/51/173153551.db2.gz BILIBESGWFOOQJ-IHRRRGAJSA-N 2 0 248.374 1.346 20 0 BDADRP Cn1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cn1 ZINC000353401925 173155271 /nfs/dbraw/zinc/15/52/71/173155271.db2.gz IYQCVPNVWZMWSP-RDBSUJKOSA-N 2 0 248.374 1.383 20 0 BDADRP CNC(=O)C[C@H](C)[NH2+]C[C@H](CC(C)C)N(C)C ZINC000359106629 173282369 /nfs/dbraw/zinc/28/23/69/173282369.db2.gz YDACTNWOLYLVHH-RYUDHWBXSA-N 2 0 243.395 1.077 20 0 BDADRP C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000037241611 173322927 /nfs/dbraw/zinc/32/29/27/173322927.db2.gz GRGJMBLGCFJMPP-UHFFFAOYSA-N 2 0 218.344 1.913 20 0 BDADRP C[NH2+]CC1CC[NH+](CCOc2ccccc2)CC1 ZINC000011889283 173338741 /nfs/dbraw/zinc/33/87/41/173338741.db2.gz JHXIHXVQZJCODF-UHFFFAOYSA-N 2 0 248.370 1.997 20 0 BDADRP C[NH2+]CCC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000043605851 173341678 /nfs/dbraw/zinc/34/16/78/173341678.db2.gz CMGUGCJOELRBER-CYBMUJFWSA-N 2 0 249.358 1.015 20 0 BDADRP C[NH2+]CCC1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000070188749 173343192 /nfs/dbraw/zinc/34/31/92/173343192.db2.gz XCSIJLQIPLTCNX-CQSZACIVSA-N 2 0 240.391 1.735 20 0 BDADRP C[NH2+]CCC[N@@H+]1CC[C@@H](OCC(C)C)C1 ZINC000336693361 173346996 /nfs/dbraw/zinc/34/69/96/173346996.db2.gz LBWPUMHKLNHECW-GFCCVEGCSA-N 2 0 214.353 1.343 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCS[C@H](C(C)C)C1 ZINC000308873847 173347470 /nfs/dbraw/zinc/34/74/70/173347470.db2.gz MASBQCMWIMWXME-NSHDSACASA-N 2 0 216.394 1.669 20 0 BDADRP C[NH2+]CCC[NH2+]Cc1ccc(C)c(F)c1 ZINC000083346350 173348787 /nfs/dbraw/zinc/34/87/87/173348787.db2.gz SRSOXQNAZNSNBI-UHFFFAOYSA-N 2 0 210.296 1.833 20 0 BDADRP C[NH2+]C[C@@H]1CCCN1CCOCCC(C)C ZINC000042390585 173368811 /nfs/dbraw/zinc/36/88/11/173368811.db2.gz UEIINIMESNRDLU-ZDUSSCGKSA-N 2 0 228.380 1.733 20 0 BDADRP C[NH2+]C[C@H](C)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000092132459 173373969 /nfs/dbraw/zinc/37/39/69/173373969.db2.gz OOLIZOUSMSZFIP-LBPRGKRZSA-N 2 0 243.395 1.077 20 0 BDADRP C[NH2+]C[C@H](C)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000295257319 173375274 /nfs/dbraw/zinc/37/52/74/173375274.db2.gz UURVLRFLMVTMED-JTQLQIEISA-N 2 0 247.342 1.126 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000040600034 173378430 /nfs/dbraw/zinc/37/84/30/173378430.db2.gz RZYKXPUNUNYHDL-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP C[NH2+]C[C@H]1CCCN(C/C=C/Cl)C1 ZINC000040600064 173379157 /nfs/dbraw/zinc/37/91/57/173379157.db2.gz RTNJFTHSZKGNRS-RXNUUUNCSA-N 2 0 202.729 1.670 20 0 BDADRP C[NH2+]C[C@H]1CCCN1CCOCCC(C)C ZINC000042390581 173379688 /nfs/dbraw/zinc/37/96/88/173379688.db2.gz UEIINIMESNRDLU-CYBMUJFWSA-N 2 0 228.380 1.733 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)cc1 ZINC000295252217 173388669 /nfs/dbraw/zinc/38/86/69/173388669.db2.gz QKYJSGQQHPIUIW-RYUDHWBXSA-N 2 0 247.342 1.472 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)[C@@]2(C)CC[NH2+]C2)cc1 ZINC000295162385 173388992 /nfs/dbraw/zinc/38/89/92/173388992.db2.gz DYFNHHRSFZHNMY-AWEZNQCLSA-N 2 0 247.342 1.344 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)CC[C@H](C)[NH3+])c1 ZINC000296407527 173389640 /nfs/dbraw/zinc/38/96/40/173389640.db2.gz LXSMNLUDUHTZPC-JTQLQIEISA-N 2 0 235.331 1.472 20 0 BDADRP COCC(C)(C)C[NH2+]CCCC[NH+](C)C ZINC000308963129 174071817 /nfs/dbraw/zinc/07/18/17/174071817.db2.gz SQSPBEAQLNOJFK-UHFFFAOYSA-N 2 0 216.369 1.590 20 0 BDADRP COCC1(C[NH2+][C@H]2CC[C@H](C)C2)CC[NH2+]CC1 ZINC000234715730 174106034 /nfs/dbraw/zinc/10/60/34/174106034.db2.gz UGHXYFNGRQFAPM-STQMWFEESA-N 2 0 240.391 1.781 20 0 BDADRP COCCC(C)(C)C[NH2+][C@@H](C)CCC[NH3+] ZINC000336666840 174144449 /nfs/dbraw/zinc/14/44/49/174144449.db2.gz DSJNVGHIEMUKRI-NSHDSACASA-N 2 0 216.369 1.766 20 0 BDADRP COCCCCC[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000336748613 174178615 /nfs/dbraw/zinc/17/86/15/174178615.db2.gz SUMCVFDPNMFZJJ-LBPRGKRZSA-N 2 0 214.353 1.474 20 0 BDADRP COCCC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000336706738 174233049 /nfs/dbraw/zinc/23/30/49/174233049.db2.gz OGWOTPVEKXUZQY-AWEZNQCLSA-N 2 0 240.391 1.687 20 0 BDADRP COCCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000369599842 174234482 /nfs/dbraw/zinc/23/44/82/174234482.db2.gz GRXZOJHLEXZNLE-HZSPNIEDSA-N 2 0 238.375 1.439 20 0 BDADRP COCCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000309635785 174250398 /nfs/dbraw/zinc/25/03/98/174250398.db2.gz JKVPXHUFCBPUPH-XQQFMLRXSA-N 2 0 226.364 1.485 20 0 BDADRP COCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127768845 174250722 /nfs/dbraw/zinc/25/07/22/174250722.db2.gz BEFOBKPGNYDWAI-VXGBXAGGSA-N 2 0 212.337 1.239 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@H]1CCC12CCC2 ZINC000337391220 174275669 /nfs/dbraw/zinc/27/56/69/174275669.db2.gz LAZMKMKVXJQEAB-ZDUSSCGKSA-N 2 0 240.391 1.877 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCC1(C)C ZINC000336776147 174275904 /nfs/dbraw/zinc/27/59/04/174275904.db2.gz DWUKPZDFFMLCOQ-GFCCVEGCSA-N 2 0 228.380 1.733 20 0 BDADRP COCC[N@H+](CCC1CC[NH2+]CC1)CC(C)C ZINC000042369459 174289453 /nfs/dbraw/zinc/28/94/53/174289453.db2.gz IIVQVHQFTNEEKM-UHFFFAOYSA-N 2 0 242.407 1.981 20 0 BDADRP COCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000363257436 174318231 /nfs/dbraw/zinc/31/82/31/174318231.db2.gz XPIRAWZYDMBUGW-AGIUHOORSA-N 2 0 224.348 1.049 20 0 BDADRP COCCOCCN1CCC[C@@H]([NH+](C)C)CC1 ZINC000365381548 174353917 /nfs/dbraw/zinc/35/39/17/174353917.db2.gz UIQWVIWTCMRDFN-CYBMUJFWSA-N 2 0 244.379 1.066 20 0 BDADRP COCC[C@@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC000045044550 174377693 /nfs/dbraw/zinc/37/76/93/174377693.db2.gz RRJQICLALHRMHF-SNVBAGLBSA-N 2 0 200.326 1.082 20 0 BDADRP COCC[C@@H](C)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352534989 174378908 /nfs/dbraw/zinc/37/89/08/174378908.db2.gz KXQJBTXWDOJBHO-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP COCC[C@@H]1CCC[C@H]1[NH2+]CCC[NH+](C)C ZINC000309987420 174397567 /nfs/dbraw/zinc/39/75/67/174397567.db2.gz YZALIBUMRICBAH-QWHCGFSZSA-N 2 0 228.380 1.733 20 0 BDADRP COC[C@@H](C)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000069625327 174449043 /nfs/dbraw/zinc/44/90/43/174449043.db2.gz XDOZWAILWWGCNJ-ZJUUUORDSA-N 2 0 200.326 1.081 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCC[C@H]1C ZINC000300243548 174562212 /nfs/dbraw/zinc/56/22/12/174562212.db2.gz SXXDTJXAJIEUQK-UPJWGTAASA-N 2 0 228.380 1.766 20 0 BDADRP COCc1cccc(C[NH2+]CC2CC[NH2+]CC2)c1 ZINC000094010319 174630333 /nfs/dbraw/zinc/63/03/33/174630333.db2.gz BNPVWNFBFROAJB-UHFFFAOYSA-N 2 0 248.370 1.922 20 0 BDADRP COc1ccc(C[NH2+][C@@H](C)CCCC[NH3+])cn1 ZINC000336726954 175109258 /nfs/dbraw/zinc/10/92/58/175109258.db2.gz VQYKPIWYYPBEGN-NSHDSACASA-N 2 0 237.347 1.697 20 0 BDADRP COc1cccc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1 ZINC000193617897 175261450 /nfs/dbraw/zinc/26/14/50/175261450.db2.gz IRJBLXZZIDBSGM-OKILXGFUSA-N 2 0 246.354 1.689 20 0 BDADRP COc1cccc([C@@H](C)[NH2+]C[C@@H](C)C[NH3+])c1 ZINC000309396977 175286519 /nfs/dbraw/zinc/28/65/19/175286519.db2.gz UQCKTLZEAJDSHV-WDEREUQCSA-N 2 0 222.332 1.941 20 0 BDADRP COc1ccccc1C[N@H+](C)CCOCC[NH3+] ZINC000093232459 175324428 /nfs/dbraw/zinc/32/44/28/175324428.db2.gz KUYNZNRGEWPRBH-UHFFFAOYSA-N 2 0 238.331 1.102 20 0 BDADRP COc1ccccc1C[N@H+](C)CCCC[NH3+] ZINC000042441502 175324901 /nfs/dbraw/zinc/32/49/01/175324901.db2.gz DBPBXRIQILWFMB-UHFFFAOYSA-N 2 0 222.332 1.866 20 0 BDADRP COc1ccccc1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000126888063 175327232 /nfs/dbraw/zinc/32/72/32/175327232.db2.gz GEJBXUYNUIHZTO-NWDGAFQWSA-N 2 0 234.343 1.864 20 0 BDADRP COc1ccccc1[C@@H](C)[NH2+]C[C@H](C)C[NH3+] ZINC000309387028 175345161 /nfs/dbraw/zinc/34/51/61/175345161.db2.gz SGTRNJONQCYWNA-GHMZBOCLSA-N 2 0 222.332 1.941 20 0 BDADRP COc1ccccc1[C@H](C)[NH2+]C[C@H](C)C[NH3+] ZINC000336683484 175351903 /nfs/dbraw/zinc/35/19/03/175351903.db2.gz SGTRNJONQCYWNA-MNOVXSKESA-N 2 0 222.332 1.941 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)C1CCOCC1 ZINC000309434072 175663546 /nfs/dbraw/zinc/66/35/46/175663546.db2.gz YBLMOGMSLGKHNR-RYUDHWBXSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)[C@H]1CCOC1 ZINC000353521973 175859140 /nfs/dbraw/zinc/85/91/40/175859140.db2.gz SUWQAWXBACUVNZ-KBHBFKLGSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]([NH2+]CCCC[NH3+])c1ccc2c(c1)OCO2 ZINC000037714858 175875171 /nfs/dbraw/zinc/87/51/71/175875171.db2.gz HVGNJZYQBKLJFP-SNVBAGLBSA-N 2 0 236.315 1.805 20 0 BDADRP C[C@@H](c1ccccn1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000122358797 176028377 /nfs/dbraw/zinc/02/83/77/176028377.db2.gz PXIDIYDVKJNIQW-GRYCIOLGSA-N 2 0 219.332 1.812 20 0 BDADRP C[C@@H](c1cccnc1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000035692146 176029898 /nfs/dbraw/zinc/02/98/98/176029898.db2.gz WRWVQBTZIYZCHS-WDEREUQCSA-N 2 0 205.305 1.423 20 0 BDADRP C[C@@H](c1ccncc1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000035693507 176036182 /nfs/dbraw/zinc/03/61/82/176036182.db2.gz VHAOIEBUEBQWHF-WDEREUQCSA-N 2 0 205.305 1.423 20 0 BDADRP C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000310480782 176088241 /nfs/dbraw/zinc/08/82/41/176088241.db2.gz CXSNBSLTVGMLNS-KWCYVHTRSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@@H]1CCC[C@H](CO)[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000336709012 176139585 /nfs/dbraw/zinc/13/95/85/176139585.db2.gz PKLZOUKFYBAADW-MGPQQGTHSA-N 2 0 240.391 1.706 20 0 BDADRP C[C@@H]1CCC[C@H]([NH2+]C[C@@]2(O)CCN(C)C2)[C@@H]1C ZINC000358225212 176144106 /nfs/dbraw/zinc/14/41/06/176144106.db2.gz CEAHRXIRRNKBPX-MQYQWHSLSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C[C@@H]1C ZINC000221708586 176173000 /nfs/dbraw/zinc/17/30/00/176173000.db2.gz LIIJGHWEHZTNSE-AGIUHOORSA-N 2 0 210.365 1.964 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1NCc1ccccn1 ZINC000334863195 176185943 /nfs/dbraw/zinc/18/59/43/176185943.db2.gz LLIKUGOSHHPWFV-ZYHUDNBSSA-N 2 0 205.305 1.169 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+]C2CCC([NH3+])CC2)O1 ZINC000148676022 176206162 /nfs/dbraw/zinc/20/61/62/176206162.db2.gz STTZQZWGJFOWOJ-YYJSSNLHSA-N 2 0 212.337 1.413 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)C1 ZINC000309750769 176232943 /nfs/dbraw/zinc/23/29/43/176232943.db2.gz GPZUJKFRPLYJHF-NEPJUHHUSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(CCO)CC1 ZINC000309826639 176268447 /nfs/dbraw/zinc/26/84/47/176268447.db2.gz XKRVXRIKZLJJHS-NEPJUHHUSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1NCC(C)(C)C[NH+](C)C ZINC000359364970 176268573 /nfs/dbraw/zinc/26/85/73/176268573.db2.gz PFZHDVRYURFJLX-CHWSQXEVSA-N 2 0 241.423 1.504 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCn1cccn1 ZINC000359658688 176271023 /nfs/dbraw/zinc/27/10/23/176271023.db2.gz FBJAMFOJVQVQHN-CHWSQXEVSA-N 2 0 236.363 1.203 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(CCO)CC1 ZINC000309826644 176271159 /nfs/dbraw/zinc/27/11/59/176271159.db2.gz XKRVXRIKZLJJHS-VXGBXAGGSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCC[NH+]1CCCC1 ZINC000036908131 176278956 /nfs/dbraw/zinc/27/89/56/176278956.db2.gz ZNSVSRMSNJOANO-MCIONIFRSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC1CCOCC1 ZINC000111155337 176279390 /nfs/dbraw/zinc/27/93/90/176279390.db2.gz YVAVALSXUFZZIM-YRGRVCCFSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@@H]1CN(CC[C@@H]2CCC[N@@H+]2C)C[C@@H](C)[NH+]1C ZINC000336895412 176293028 /nfs/dbraw/zinc/29/30/28/176293028.db2.gz YTMXSEOBRQHTEK-MCIONIFRSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)C[C@@H]1O ZINC000351796733 176294271 /nfs/dbraw/zinc/29/42/71/176294271.db2.gz XTCZTOKQNDFKMQ-UPJWGTAASA-N 2 0 226.364 1.173 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH+]2C)C[C@@H]1CO ZINC000362090246 176294902 /nfs/dbraw/zinc/29/49/02/176294902.db2.gz MKNWXNBSLNWIGJ-JHJVBQTASA-N 2 0 226.364 1.031 20 0 BDADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC[NH2+]C(C)(C)C ZINC000251600833 176323097 /nfs/dbraw/zinc/32/30/97/176323097.db2.gz DCJDWBJJPLJOTI-OLZOCXBDSA-N 2 0 239.407 1.543 20 0 BDADRP C[C@@H]1COCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000251605527 176336066 /nfs/dbraw/zinc/33/60/66/176336066.db2.gz DGLNBRMGYRDOSQ-VXGBXAGGSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H]1CSC[C@H]1[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000336773822 176355145 /nfs/dbraw/zinc/35/51/45/176355145.db2.gz ZFRSRHNHIQRAAK-IJLUTSLNSA-N 2 0 228.405 1.812 20 0 BDADRP C[C@@H]1C[C@@H](C[N@H+](C)CCc2ccncc2)CC[NH2+]1 ZINC000235379266 176367910 /nfs/dbraw/zinc/36/79/10/176367910.db2.gz HANPSVVASNAOPF-HIFRSBDPSA-N 2 0 247.386 1.944 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCCCCF ZINC000308506262 176367937 /nfs/dbraw/zinc/36/79/37/176367937.db2.gz YZNINTOJZAPXET-MNOVXSKESA-N 2 0 202.317 1.795 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@H](C[NH+](C)C)C2)CCO1 ZINC000352608454 176368949 /nfs/dbraw/zinc/36/89/49/176368949.db2.gz LGRVGXLCCYXJOZ-HZSPNIEDSA-N 2 0 240.391 1.685 20 0 BDADRP C[C@@H]1C[C@@H]([N@H+](C)CC2(C)COC2)CCN1C ZINC000336694961 176371146 /nfs/dbraw/zinc/37/11/46/176371146.db2.gz FLJZKTZBSCMZAK-NEPJUHHUSA-N 2 0 226.364 1.437 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCC2(O)CCC2)CC[N@@H+]1C ZINC000336744209 176374593 /nfs/dbraw/zinc/37/45/93/176374593.db2.gz PWHDNNYLCZOWDE-NEPJUHHUSA-N 2 0 226.364 1.364 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@](C)(O)C2CC2)CC[N@@H+]1C ZINC000309792757 176376431 /nfs/dbraw/zinc/37/64/31/176376431.db2.gz UTHBUSOUNKPSOE-KGYLQXTDSA-N 2 0 226.364 1.220 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2)CC[NH2+]1 ZINC000073657631 176378161 /nfs/dbraw/zinc/37/81/61/176378161.db2.gz CPEGPWYNJYLPJR-YPMHNXCESA-N 2 0 204.317 1.917 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH2+]CCC1CC[NH+](C)CC1 ZINC000308848158 176395566 /nfs/dbraw/zinc/39/55/66/176395566.db2.gz NBHYKRILXJVPJC-DGCLKSJQSA-N 2 0 210.365 1.964 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)[C@@H]1CCCO1 ZINC000226836490 176867886 /nfs/dbraw/zinc/86/78/86/176867886.db2.gz TZMGSMIXXJDWHF-SRVKXCTJSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000336679176 176909499 /nfs/dbraw/zinc/90/94/99/176909499.db2.gz FTFHPAYQSNAHKM-OUAUKWLOSA-N 2 0 200.326 1.271 20 0 BDADRP C[C@H]1CC[C@@H](N2CCC(C[NH+](C)C)CC2)C[NH2+]1 ZINC000062948857 177192608 /nfs/dbraw/zinc/19/26/08/177192608.db2.gz NBSXSYRRANOGET-GXTWGEPZSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)C[C@H](C)N1 ZINC000335758841 177245940 /nfs/dbraw/zinc/24/59/40/177245940.db2.gz HNWDHYRSLKMZGZ-TXEJJXNPSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1ccncc1 ZINC000048261851 177332737 /nfs/dbraw/zinc/33/27/37/177332737.db2.gz VNXMALUFBDMGFM-VNHYZAJKSA-N 2 0 247.386 1.942 20 0 BDADRP C[C@H]1C[C@H](C)C[NH+](CC2CC[NH2+]CC2)C1 ZINC000019470527 177358728 /nfs/dbraw/zinc/35/87/28/177358728.db2.gz KRRSOTORXLAJEV-RYUDHWBXSA-N 2 0 210.365 1.964 20 0 BDADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCC1CC[NH2+]CC1 ZINC000359220988 177361937 /nfs/dbraw/zinc/36/19/37/177361937.db2.gz OEVUBBWCCYRVKM-WCQYABFASA-N 3 0 225.380 1.045 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC2(C)CCOCC2)CC[N@@H+]1C ZINC000222242926 177368716 /nfs/dbraw/zinc/36/87/16/177368716.db2.gz MBPKNPFCLNISKO-QWHCGFSZSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCCn2cccn2)CN1C1CC1 ZINC000122804726 177369477 /nfs/dbraw/zinc/36/94/77/177369477.db2.gz YONRTHJIFUEPQB-STQMWFEESA-N 2 0 248.374 1.488 20 0 BDADRP C[C@H]1C[C@H]1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000339408181 177379495 /nfs/dbraw/zinc/37/94/95/177379495.db2.gz REAJDBFHIFVSJM-RYUDHWBXSA-N 2 0 226.364 1.472 20 0 BDADRP C[C@H]1N(CC[C@@H]2CCC[N@@H+]2C)CCOC1(C)C ZINC000336552015 177392113 /nfs/dbraw/zinc/39/21/13/177392113.db2.gz DHNUPDWSHSBJEI-OLZOCXBDSA-N 2 0 240.391 1.970 20 0 BDADRP C[C@@H]([NH2+]CC(C)(C)CCO)[C@@H]1CCC[NH2+]1 ZINC000400356556 225063109 /nfs/dbraw/zinc/06/31/09/225063109.db2.gz BKZWQADYMZGMRB-MNOVXSKESA-N 2 0 214.353 1.125 20 0 BDADRP C[C@H]([NH2+][C@@H](CCO)C(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000400704976 226349972 /nfs/dbraw/zinc/34/99/72/226349972.db2.gz KRTRCZFLRYNUHE-SRVKXCTJSA-N 2 0 228.380 1.371 20 0 BDADRP Cc1nccc(C[NH+]2CCC(C[NH+](C)C)CC2)n1 ZINC000507208713 226367002 /nfs/dbraw/zinc/36/70/02/226367002.db2.gz HOIWKKBZTFXXHW-UHFFFAOYSA-N 2 0 248.374 1.559 20 0 BDADRP COCC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228473214 487655200 /nfs/dbraw/zinc/65/52/00/487655200.db2.gz WHVLSIFCVYFHJM-WUHRBBMRSA-N 2 0 226.364 1.471 20 0 BDADRP C[C@H]1C[N@H+](CCCc2cncn2C)CC[C@@H]1[NH3+] ZINC000314012295 487656790 /nfs/dbraw/zinc/65/67/90/487656790.db2.gz NVYKCWYPSUMGSX-AAEUAGOBSA-N 2 0 236.363 1.022 20 0 BDADRP COC[C@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335832501 487667695 /nfs/dbraw/zinc/66/76/95/487667695.db2.gz CRMNAGBCQDUXIO-NWDGAFQWSA-N 2 0 212.337 1.097 20 0 BDADRP CC(C)[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000383730592 487669031 /nfs/dbraw/zinc/66/90/31/487669031.db2.gz GXJQXRSTCRLFRZ-KGLIPLIRSA-N 2 0 242.407 1.808 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424377703 229160480 /nfs/dbraw/zinc/16/04/80/229160480.db2.gz RNYQEPOSVLFYIL-RWMBFGLXSA-N 2 0 226.364 1.519 20 0 BDADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCCO1 ZINC000082594395 487687131 /nfs/dbraw/zinc/68/71/31/487687131.db2.gz CODWDSUDFZCFFS-STQMWFEESA-N 2 0 226.364 1.759 20 0 BDADRP Cc1cncc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000228622836 487696483 /nfs/dbraw/zinc/69/64/83/487696483.db2.gz YHTRSBVMKSCJRN-RRFJBIMHSA-N 2 0 245.370 1.949 20 0 BDADRP FCCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000088026319 487699575 /nfs/dbraw/zinc/69/95/75/487699575.db2.gz SOPUWIHJXOQWAU-NWDGAFQWSA-N 2 0 214.328 1.810 20 0 BDADRP CC(C)[NH+](CCNC(=O)[C@H](C)[NH+](C)C)C(C)C ZINC000674243348 487713992 /nfs/dbraw/zinc/71/39/92/487713992.db2.gz GXVYYDJRYBTGLK-LBPRGKRZSA-N 2 0 243.395 1.172 20 0 BDADRP c1cnn(CC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000250161179 487727046 /nfs/dbraw/zinc/72/70/46/487727046.db2.gz HQBDXROEGDIWGG-ZIAGYGMSSA-N 2 0 248.374 1.347 20 0 BDADRP C[C@@H](CNC(=O)CCC(C)(C)[NH3+])[N@H+](C)C1CC1 ZINC000226399048 487734083 /nfs/dbraw/zinc/73/40/83/487734083.db2.gz JMYKYLXMUVLOEL-JTQLQIEISA-N 2 0 241.379 1.103 20 0 BDADRP C[C@H](CNC(=O)CCC(C)(C)[NH3+])[N@H+](C)C1CC1 ZINC000226399055 487734825 /nfs/dbraw/zinc/73/48/25/487734825.db2.gz JMYKYLXMUVLOEL-SNVBAGLBSA-N 2 0 241.379 1.103 20 0 BDADRP CC(C)n1ncnc1C[NH2+]CCCC[NH+](C)C ZINC000088591217 487736587 /nfs/dbraw/zinc/73/65/87/487736587.db2.gz BVIVOICBTDDACV-UHFFFAOYSA-N 2 0 239.367 1.290 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000250654742 487737917 /nfs/dbraw/zinc/73/79/17/487737917.db2.gz NLZAXWDGLWIDGP-RFGFWPKPSA-N 2 0 237.391 1.473 20 0 BDADRP c1cc(N2CC[NH+]([C@@H]3CCCOC3)CC2)cc[nH+]1 ZINC000675499588 487742707 /nfs/dbraw/zinc/74/27/07/487742707.db2.gz MUJRURUDHRLSAZ-CQSZACIVSA-N 2 0 247.342 1.383 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1(C)C ZINC000233794517 487743235 /nfs/dbraw/zinc/74/32/35/487743235.db2.gz FGUCJAKYVZFUQI-JHJVBQTASA-N 2 0 240.391 1.922 20 0 BDADRP CC[N@H+](C[C@H]1CCOC1)C[C@@H]1CCC[NH2+]C1 ZINC000226436246 487745500 /nfs/dbraw/zinc/74/55/00/487745500.db2.gz QWJFMBDKMPTJQX-CHWSQXEVSA-N 2 0 226.364 1.344 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC[C@@H]2O)C1 ZINC000250999035 487745333 /nfs/dbraw/zinc/74/53/33/487745333.db2.gz DHBJHRDCXHSDCT-NDBYEHHHSA-N 2 0 226.364 1.397 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCc1cccnc1 ZINC000049712941 487777272 /nfs/dbraw/zinc/77/72/72/487777272.db2.gz UJLRIBFFXZPVDK-DGCLKSJQSA-N 2 0 219.332 1.436 20 0 BDADRP CC[C@@H]1C[N@H+](Cc2cccc(O)c2)CC[C@H]1[NH3+] ZINC000251794174 487797954 /nfs/dbraw/zinc/79/79/54/487797954.db2.gz NSTXOXLRPYUPIW-TZMCWYRMSA-N 2 0 234.343 1.951 20 0 BDADRP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H]2CCCOC2)C1 ZINC000674302633 487799965 /nfs/dbraw/zinc/79/99/65/487799965.db2.gz PNFIHLNQHSXBOC-KBPBESRZSA-N 2 0 240.391 1.829 20 0 BDADRP CO[C@@H](C)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000223913162 487801120 /nfs/dbraw/zinc/80/11/20/487801120.db2.gz OYWQAZLMGWDNNL-QNWHQSFQSA-N 2 0 226.364 1.532 20 0 BDADRP COC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335832500 487807470 /nfs/dbraw/zinc/80/74/70/487807470.db2.gz CRMNAGBCQDUXIO-NEPJUHHUSA-N 2 0 212.337 1.097 20 0 BDADRP CCOCCC[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000251922670 487807923 /nfs/dbraw/zinc/80/79/23/487807923.db2.gz YPIQQQOWGFMRJP-VXGBXAGGSA-N 2 0 214.353 1.472 20 0 BDADRP CC(C)([NH2+]CCC[NH3+])c1cccc(F)c1 ZINC000414707679 487818443 /nfs/dbraw/zinc/81/84/43/487818443.db2.gz NACBSPCEVZIYRV-UHFFFAOYSA-N 2 0 210.296 1.999 20 0 BDADRP CC1(C)C[N@H+](Cc2cnc3n2CCC3)C[C@@H]1O ZINC000668088755 487831365 /nfs/dbraw/zinc/83/13/65/487831365.db2.gz GJOGDXIGSLMTQV-NSHDSACASA-N 2 0 235.331 1.032 20 0 BDADRP Cc1ccc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)cn1 ZINC000415030314 487833716 /nfs/dbraw/zinc/83/37/16/487833716.db2.gz FNYBDRBUCHIVJE-AAEUAGOBSA-N 2 0 219.332 1.607 20 0 BDADRP [NH3+]CCC[NH2+][C@H]1CCN(c2ccc(F)cc2)C1 ZINC000415134400 487838457 /nfs/dbraw/zinc/83/84/57/487838457.db2.gz DSIJWYGLAZSVJN-LBPRGKRZSA-N 2 0 237.322 1.343 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H](CCO)C2)CC[NH2+]1 ZINC000666638441 487849574 /nfs/dbraw/zinc/84/95/74/487849574.db2.gz OGUIOMYELKHVQV-MCIONIFRSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](CCO)C2)CC[NH2+]1 ZINC000666638440 487850090 /nfs/dbraw/zinc/85/00/90/487850090.db2.gz OGUIOMYELKHVQV-HZSPNIEDSA-N 2 0 240.391 1.469 20 0 BDADRP COCCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000234683511 487853628 /nfs/dbraw/zinc/85/36/28/487853628.db2.gz DQKWXTDPTDQLAK-VXGBXAGGSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)NC[C@H]1CCCC[NH2+]1 ZINC000666770885 487876980 /nfs/dbraw/zinc/87/69/80/487876980.db2.gz XTFMGFXZIYAVNP-JHJVBQTASA-N 2 0 225.380 1.249 20 0 BDADRP CO[C@H]1CC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000234833814 487883190 /nfs/dbraw/zinc/88/31/90/487883190.db2.gz BNISHDPIAWRENN-AWEZNQCLSA-N 2 0 246.354 1.553 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cnc3ccccn23)C1 ZINC000666852277 487891216 /nfs/dbraw/zinc/89/12/16/487891216.db2.gz YLVAJBNTNDYOJV-NWDGAFQWSA-N 2 0 244.342 1.694 20 0 BDADRP CC[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)[C@H](C)CO1 ZINC000403809738 487891388 /nfs/dbraw/zinc/89/13/88/487891388.db2.gz KJHULAXKYXSEMQ-MGPQQGTHSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@@H]1C[N@H+](CC2CC[NH2+]CC2)[C@@H](CC)CO1 ZINC000403806399 487891427 /nfs/dbraw/zinc/89/14/27/487891427.db2.gz LPHYOLWQBDUJBV-UONOGXRCSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)[C@@H](C)CO1 ZINC000403809736 487891931 /nfs/dbraw/zinc/89/19/31/487891931.db2.gz KJHULAXKYXSEMQ-MELADBBJSA-N 2 0 240.391 1.875 20 0 BDADRP NCC(F)(F)CNCc1cnc2ccccn12 ZINC000666864741 487893087 /nfs/dbraw/zinc/89/30/87/487893087.db2.gz LVJATJFLCLHEGQ-UHFFFAOYSA-N 2 0 240.257 1.018 20 0 BDADRP CC[C@H]([NH3+])C[NH2+]C[C@H]1CCOc2ccccc21 ZINC000666910455 487901845 /nfs/dbraw/zinc/90/18/45/487901845.db2.gz PBWLQCZWHXQESP-NEPJUHHUSA-N 2 0 234.343 1.880 20 0 BDADRP CC[NH2+]Cc1cccc(NC(=O)CC(C)(C)[NH3+])c1 ZINC000178422929 487902366 /nfs/dbraw/zinc/90/23/66/487902366.db2.gz FHFWTIQMAFVGOR-UHFFFAOYSA-N 2 0 249.358 1.862 20 0 BDADRP CC(C)(C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1 ZINC000666939779 487908530 /nfs/dbraw/zinc/90/85/30/487908530.db2.gz RGUPYDLOZNAMIR-WDNDVIMCSA-N 2 0 230.355 1.772 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)C1 ZINC000666954065 487916047 /nfs/dbraw/zinc/91/60/47/487916047.db2.gz PAXKPPWMUZROHG-IJLUTSLNSA-N 2 0 208.349 1.907 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666955344 487916988 /nfs/dbraw/zinc/91/69/88/487916988.db2.gz ATPBXLZAWSASMQ-NEPJUHHUSA-N 3 0 225.380 1.092 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000652335371 487923553 /nfs/dbraw/zinc/92/35/53/487923553.db2.gz CHCRBHOANSIDNQ-ZDUSSCGKSA-N 3 0 245.370 1.113 20 0 BDADRP [NH3+][C@H]1CCCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000652335587 487923571 /nfs/dbraw/zinc/92/35/71/487923571.db2.gz TVAUDSSMJYIZTJ-HNNXBMFYSA-N 2 0 245.370 1.255 20 0 BDADRP CCOC[C@H](C)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995651 487925297 /nfs/dbraw/zinc/92/52/97/487925297.db2.gz VJJBDOIODONTIF-NWDGAFQWSA-N 2 0 226.364 1.676 20 0 BDADRP C[C@@H](CC1CCC1)[NH2+]C[C@H]1CNCCO1 ZINC000667037297 487932922 /nfs/dbraw/zinc/93/29/22/487932922.db2.gz YYQFIPAEQLKOCS-CMPLNLGQSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H]([NH3+])C[N@@H+]1CCc2ccccc2[C@@H](C)C1 ZINC000404977942 487938384 /nfs/dbraw/zinc/93/83/84/487938384.db2.gz BSLRZFBBDWKIFJ-RYUDHWBXSA-N 2 0 218.344 1.995 20 0 BDADRP CC(C)C[C@H]([NH3+])c1noc([C@@]2(F)CC[NH2+]C2)n1 ZINC000566216440 322970463 /nfs/dbraw/zinc/97/04/63/322970463.db2.gz WMCGFLWZWQDUOL-GZMMTYOYSA-N 2 0 242.298 1.274 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C(C)(C)O)CC[N@@H+]1C ZINC000393600196 323028804 /nfs/dbraw/zinc/02/88/04/323028804.db2.gz PYDJHCYUHRDNTO-NEPJUHHUSA-N 2 0 242.407 1.856 20 0 BDADRP CC(C)[NH2+]CCCN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000562956372 323034792 /nfs/dbraw/zinc/03/47/92/323034792.db2.gz QJUGGMPTYPMHAM-QWHCGFSZSA-N 2 0 227.396 1.482 20 0 BDADRP CC[NH2+]CCCN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000562956237 323034925 /nfs/dbraw/zinc/03/49/25/323034925.db2.gz KRWXDGVYENDZEO-FRRDWIJNSA-N 2 0 227.396 1.304 20 0 BDADRP CC(C)[NH2+]CCCN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000569918900 323044344 /nfs/dbraw/zinc/04/43/44/323044344.db2.gz VOSIGWKREYTUMV-HZSPNIEDSA-N 2 0 241.423 1.693 20 0 BDADRP CC[N@H+](C)C[C@H](O)CN1CC(C)(C)[C@H]1C1CC1 ZINC000570060696 323049059 /nfs/dbraw/zinc/04/90/59/323049059.db2.gz OHIXZIUWJZLTHL-QWHCGFSZSA-N 2 0 240.391 1.419 20 0 BDADRP COC[C@@H](C)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000570092904 323049982 /nfs/dbraw/zinc/04/99/82/323049982.db2.gz AVNRUJDLJLZNEM-STQMWFEESA-N 2 0 226.364 1.344 20 0 BDADRP CC(C)[NH+](CCC[NH2+][C@H](C)[C@@H](C)O)C(C)C ZINC000570156002 323051198 /nfs/dbraw/zinc/05/11/98/323051198.db2.gz UOHNIINQXBBSSV-CHWSQXEVSA-N 2 0 230.396 1.854 20 0 BDADRP COC[C@H](CC(C)C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000531716360 323112099 /nfs/dbraw/zinc/11/20/99/323112099.db2.gz SYHQXURCNQCQTE-KGLIPLIRSA-N 2 0 242.407 1.979 20 0 BDADRP CC(C)C[C@](C)(C[NH3+])NC(=O)CC[NH2+]C1CC1 ZINC000567123657 323120992 /nfs/dbraw/zinc/12/09/92/323120992.db2.gz PIJQNPGXLMIOPL-CYBMUJFWSA-N 2 0 241.379 1.008 20 0 BDADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H](C)O)C1 ZINC000563528763 323129242 /nfs/dbraw/zinc/12/92/42/323129242.db2.gz FAAJUUOQQIWFKI-YNEHKIRRSA-N 2 0 228.380 1.323 20 0 BDADRP CC[C@H](O)C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000571158362 323136976 /nfs/dbraw/zinc/13/69/76/323136976.db2.gz GDTCHPVFXRTYLB-SRVKXCTJSA-N 2 0 214.353 1.220 20 0 BDADRP CC[NH2+]CCCN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000571394683 323143233 /nfs/dbraw/zinc/14/32/33/323143233.db2.gz ANSKQUVVIYXWGQ-HIFRSBDPSA-N 2 0 249.402 1.534 20 0 BDADRP CC[NH2+]CCC[NH2+][C@H](Cn1cccn1)C(C)C ZINC000571394710 323143251 /nfs/dbraw/zinc/14/32/51/323143251.db2.gz FDIUDNZICZAEKH-CYBMUJFWSA-N 2 0 238.379 1.497 20 0 BDADRP CN(Cc1ccc2c(c1)C[NH2+]CC2)[C@H]1CC[NH2+]C1 ZINC000571573252 323148127 /nfs/dbraw/zinc/14/81/27/323148127.db2.gz XTXKUACSRMURDP-HNNXBMFYSA-N 2 0 245.370 1.126 20 0 BDADRP C[C@@H](C[NH3+])C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000571551646 323148254 /nfs/dbraw/zinc/14/82/54/323148254.db2.gz RHFXEINZTNATGV-AAEUAGOBSA-N 2 0 249.358 1.178 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCc3c[nH]nc3C2)C1 ZINC000571582004 323148644 /nfs/dbraw/zinc/14/86/44/323148644.db2.gz WRGTWFGPFRXIJT-WOPDTQHZSA-N 2 0 234.347 1.127 20 0 BDADRP CC(C)[C@H]([NH3+])CCN(C)CC1(C[NH3+])CC1 ZINC000414654563 323151019 /nfs/dbraw/zinc/15/10/19/323151019.db2.gz CFHGDQGXGXGWIR-LLVKDONJSA-N 2 0 213.369 1.031 20 0 BDADRP C[C@H](O)[C@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000305630846 323171142 /nfs/dbraw/zinc/17/11/42/323171142.db2.gz MLCMERUGQGCOQA-IHRRRGAJSA-N 2 0 240.391 1.564 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+]C[C@H]2CCCOC2)cc1 ZINC000563718183 323175458 /nfs/dbraw/zinc/17/54/58/323175458.db2.gz WOOHBKUKXLBYSX-CQSZACIVSA-N 2 0 234.343 1.662 20 0 BDADRP CCN1CCC[C@@H]1C[NH2+]CC1(F)CC1 ZINC000308627719 323176397 /nfs/dbraw/zinc/17/63/97/323176397.db2.gz XMMNBMWNKMEAFN-SNVBAGLBSA-N 2 0 200.301 1.562 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCOCC1CCC1 ZINC000563804495 323178352 /nfs/dbraw/zinc/17/83/52/323178352.db2.gz POOKHLCXPHPGGE-VXGBXAGGSA-N 2 0 212.337 1.273 20 0 BDADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]C(C1CC1)C1CC1 ZINC000308818076 323178917 /nfs/dbraw/zinc/17/89/17/323178917.db2.gz JABSSSYPGHBWEX-JOYOIKCWSA-N 2 0 208.349 1.763 20 0 BDADRP Cc1ccc(O)c(CNC2CC([NH+](C)C)C2)n1 ZINC000563821850 323179402 /nfs/dbraw/zinc/17/94/02/323179402.db2.gz XXVRFXOWKMFHRV-UHFFFAOYSA-N 2 0 235.331 1.278 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC[NH+](C)C)[C@@H](C)O1 ZINC000395014597 323185161 /nfs/dbraw/zinc/18/51/61/323185161.db2.gz NBFXKBCXZGOVLG-MXWKQRLJSA-N 2 0 200.326 1.094 20 0 BDADRP C[C@@H]([NH2+]CCCCF)[C@H]1CCCC[NH2+]1 ZINC000395106697 323187062 /nfs/dbraw/zinc/18/70/62/323187062.db2.gz XHSMTFZYRNEKGG-GHMZBOCLSA-N 2 0 202.317 1.856 20 0 BDADRP CC[NH+]1CCC(C[NH2+]C[C@@H]2C[C@H]2C)CC1 ZINC000309034388 323197327 /nfs/dbraw/zinc/19/73/27/323197327.db2.gz HFFFAXCMPFJGPT-YPMHNXCESA-N 2 0 210.365 1.964 20 0 BDADRP [NH3+]CCC[NH+]1CCc2ccccc2CC1 ZINC000070620747 323205155 /nfs/dbraw/zinc/20/51/55/323205155.db2.gz FNBDLFVZGOEWFJ-UHFFFAOYSA-N 2 0 204.317 1.436 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCC2(CO)CC2)c2ccccc21 ZINC000395927036 323268424 /nfs/dbraw/zinc/26/84/24/323268424.db2.gz KIFMZXNJUDZACS-ZIAGYGMSSA-N 2 0 246.354 1.883 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000565156160 323324345 /nfs/dbraw/zinc/32/43/45/323324345.db2.gz HMNCKOPSASUIBX-RQJABVFESA-N 2 0 242.407 1.713 20 0 BDADRP C[NH+]1CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000309225260 323330581 /nfs/dbraw/zinc/33/05/81/323330581.db2.gz RPERTFVZCWPWBE-ZDUSSCGKSA-N 2 0 225.380 1.108 20 0 BDADRP CC(C)C[C@@H]([NH3+])c1noc([C@@H](C)C[NH3+])n1 ZINC000572284869 323587509 /nfs/dbraw/zinc/58/75/09/323587509.db2.gz IJIZOBGYVNMZGU-JGVFFNPUSA-N 2 0 212.297 1.178 20 0 BDADRP CC[NH+](CC)CC(=O)Nc1ccccc1C[NH2+]C ZINC000122556090 324049420 /nfs/dbraw/zinc/04/94/20/324049420.db2.gz REYRDZCEIGHQIQ-UHFFFAOYSA-N 2 0 249.358 1.686 20 0 BDADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)C1CC1 ZINC000122793891 324058638 /nfs/dbraw/zinc/05/86/38/324058638.db2.gz ZKPMFXMZUAXTGQ-WCQYABFASA-N 2 0 228.380 1.731 20 0 BDADRP CCC([NH3+])(CC)C[NH2+][C@H](COC)C1CC1 ZINC000398072809 324217084 /nfs/dbraw/zinc/21/70/84/324217084.db2.gz DZGBBUUCSHUXHG-LLVKDONJSA-N 2 0 214.353 1.519 20 0 BDADRP COC[C@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000083906939 487964275 /nfs/dbraw/zinc/96/42/75/487964275.db2.gz LGCMZCVYOASHNU-AWEZNQCLSA-N 2 0 240.391 1.735 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@]1(C)CO ZINC000545396717 325219008 /nfs/dbraw/zinc/21/90/08/325219008.db2.gz WJBABESBGYWOPY-QWHCGFSZSA-N 2 0 226.364 1.318 20 0 BDADRP CC1(C)C[N@H+](C[C@H]2CC[NH2+]C2)CCS1 ZINC000158592574 487968269 /nfs/dbraw/zinc/96/82/69/487968269.db2.gz ASYVUNWSLQITKZ-JTQLQIEISA-N 2 0 214.378 1.423 20 0 BDADRP C[C@@H](C(=O)Nc1ccc(C[NH3+])cc1)[C@H](C)[NH3+] ZINC000565298911 325892704 /nfs/dbraw/zinc/89/27/04/325892704.db2.gz CYQHJVUFYBGEQS-BDAKNGLRSA-N 2 0 221.304 1.067 20 0 BDADRP C[C@@H]1C[C@H](N(C)C(=O)CCCC[NH3+])CC[N@@H+]1C ZINC000566185308 326003918 /nfs/dbraw/zinc/00/39/18/326003918.db2.gz AZNLGRBAGXCKGJ-VXGBXAGGSA-N 2 0 241.379 1.057 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[C@@H](O)C(C)C ZINC000566482228 326055621 /nfs/dbraw/zinc/05/56/21/326055621.db2.gz NCOJRXVXRLZUGT-NDBYEHHHSA-N 2 0 228.380 1.641 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000566482905 326056452 /nfs/dbraw/zinc/05/64/52/326056452.db2.gz QQGDRLLIFSBVKR-DDHJBXDOSA-N 2 0 211.353 1.116 20 0 BDADRP C[NH+](C)C1CC([NH2+]C[C@H]2CCSC2)C1 ZINC000566631406 326070590 /nfs/dbraw/zinc/07/05/90/326070590.db2.gz XFWLTFLSZLFOOV-KPPDAEKUSA-N 2 0 214.378 1.422 20 0 BDADRP COc1nc2ccccc2cc1CN[C@H](C)C[NH3+] ZINC000566784463 326081851 /nfs/dbraw/zinc/08/18/51/326081851.db2.gz CPLAGRQKNMWFPM-SNVBAGLBSA-N 2 0 245.326 1.680 20 0 BDADRP Cc1nccn1CC[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000566854198 326088384 /nfs/dbraw/zinc/08/83/84/326088384.db2.gz XPKPVAMMSAVFDF-AWEZNQCLSA-N 2 0 249.358 1.692 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCC12CCOCC2 ZINC000567343969 326168248 /nfs/dbraw/zinc/16/82/48/326168248.db2.gz JJZSUSUPUMKNFH-RYUDHWBXSA-N 2 0 226.364 1.391 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000567654264 326239322 /nfs/dbraw/zinc/23/93/22/326239322.db2.gz KIMJIOJPESNIMG-CHWSQXEVSA-N 3 0 223.364 1.156 20 0 BDADRP [NH3+][C@@H]1CCCc2cn(CC[C@H]3CC[NH2+]C3)nc21 ZINC000567673767 326243082 /nfs/dbraw/zinc/24/30/82/326243082.db2.gz GTXMZBORJWTSNR-ZYHUDNBSSA-N 2 0 234.347 1.219 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)N[C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000567871210 326274143 /nfs/dbraw/zinc/27/41/43/326274143.db2.gz ZRCPYGSKFYRZCF-FIQHERPVSA-N 2 0 213.369 1.232 20 0 BDADRP CC(C)COCC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567889695 326276690 /nfs/dbraw/zinc/27/66/90/326276690.db2.gz KJZROULDAYCDMX-CQSZACIVSA-N 2 0 240.391 1.735 20 0 BDADRP CC(C)COCC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567889694 326277236 /nfs/dbraw/zinc/27/72/36/326277236.db2.gz KJZROULDAYCDMX-AWEZNQCLSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)C1CCOCC1 ZINC000158268617 326314450 /nfs/dbraw/zinc/31/44/50/326314450.db2.gz ZDFKSALIRNTBNL-QWHCGFSZSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1CCCC[N@@H+]1CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000568248508 326334316 /nfs/dbraw/zinc/33/43/16/326334316.db2.gz SXMHPSRBMRXWRT-HZSPNIEDSA-N 2 0 239.407 1.720 20 0 BDADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC000568381934 326352060 /nfs/dbraw/zinc/35/20/60/326352060.db2.gz YPHZQVGIOJNMLB-BXKDBHETSA-N 2 0 208.349 1.892 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CCC[C@H](C[NH3+])C1 ZINC000568865381 326379947 /nfs/dbraw/zinc/37/99/47/326379947.db2.gz IERWGYYNCZWQEZ-NEPJUHHUSA-N 2 0 213.369 1.031 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000400468347 487980356 /nfs/dbraw/zinc/98/03/56/487980356.db2.gz UKMZCXYTGMCUMS-AGIUHOORSA-N 2 0 225.380 1.201 20 0 BDADRP CC[N@@H+]1CCN(c2ccnc(N(C)C)n2)C[C@H]1C ZINC000677152494 487984108 /nfs/dbraw/zinc/98/41/08/487984108.db2.gz MWGRKDWDTCABTO-LLVKDONJSA-N 2 0 249.362 1.073 20 0 BDADRP C[N@H+](CCC[NH3+])C[C@H]1CCOc2ccccc21 ZINC000158991047 487985525 /nfs/dbraw/zinc/98/55/25/487985525.db2.gz OHOMVCNIBPZQRT-GFCCVEGCSA-N 2 0 234.343 1.833 20 0 BDADRP C[N@H+](CCCC1CC[NH2+]CC1)[C@H]1CCOC1 ZINC000134717583 487996644 /nfs/dbraw/zinc/99/66/44/487996644.db2.gz ZDMFLWSUJPFTBC-ZDUSSCGKSA-N 2 0 226.364 1.487 20 0 BDADRP COc1cccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)n1 ZINC000655827658 488010953 /nfs/dbraw/zinc/01/09/53/488010953.db2.gz WQQLMOMBPKYPEO-BJHJDKERSA-N 2 0 249.358 1.520 20 0 BDADRP C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401008818 488015412 /nfs/dbraw/zinc/01/54/12/488015412.db2.gz FYEIIOOTMWCDAS-NWBUJAPZSA-N 2 0 240.416 1.858 20 0 BDADRP [NH3+]CCN(Cc1ccccc1)C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663494474 488043767 /nfs/dbraw/zinc/04/37/67/488043767.db2.gz OSSPIVBJNFSFTC-CABCVRRESA-N 2 0 245.370 1.057 20 0 BDADRP C[NH+](C)CCN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000084479611 488053736 /nfs/dbraw/zinc/05/37/36/488053736.db2.gz YGEKMKXZXKXZGF-NSHDSACASA-N 2 0 213.369 1.010 20 0 BDADRP Cc1ncc(C[N@H+](C)C[C@H]2CCCOC2)n1C ZINC000667601791 488056081 /nfs/dbraw/zinc/05/60/81/488056081.db2.gz JZVWYMOJRCQEIR-GFCCVEGCSA-N 2 0 237.347 1.587 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@@H]21 ZINC000230132275 488057624 /nfs/dbraw/zinc/05/76/24/488057624.db2.gz WYZDQOHANGRXNG-ZOBORPQBSA-N 2 0 238.375 1.615 20 0 BDADRP C([C@H]1CCOC1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257651314 488075259 /nfs/dbraw/zinc/07/52/59/488075259.db2.gz DIZMWEKKWPSAKQ-OLZOCXBDSA-N 2 0 224.348 1.098 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000389123565 488077539 /nfs/dbraw/zinc/07/75/39/488077539.db2.gz CPPJTPVTXKOURK-UPJWGTAASA-N 2 0 225.380 1.330 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000389123566 488077613 /nfs/dbraw/zinc/07/76/13/488077613.db2.gz CPPJTPVTXKOURK-XQQFMLRXSA-N 2 0 225.380 1.330 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000389253516 488085368 /nfs/dbraw/zinc/08/53/68/488085368.db2.gz NEFRJFHHLQVUGP-RDBSUJKOSA-N 2 0 239.407 1.591 20 0 BDADRP CC[NH+]1CCC([NH2+]CCc2cncc(C)n2)CC1 ZINC000402860443 488105445 /nfs/dbraw/zinc/10/54/45/488105445.db2.gz XJQJONHBOIHJKW-UHFFFAOYSA-N 2 0 248.374 1.401 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CC2CCC(O)CC2)CC[N@@H+]1C ZINC000227648874 488108606 /nfs/dbraw/zinc/10/86/06/488108606.db2.gz CHLZALHRWNTUIO-AHPWVWPOSA-N 2 0 240.391 1.610 20 0 BDADRP [NH3+][C@@H]1CCN(C[C@H]2CCOc3ccccc32)C1 ZINC000162080297 487536961 /nfs/dbraw/zinc/53/69/61/487536961.db2.gz ZSOZCJBDNDIBPO-VXGBXAGGSA-N 2 0 232.327 1.586 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](CCO)C1 ZINC000683141241 488118122 /nfs/dbraw/zinc/11/81/22/488118122.db2.gz RZZKFDHUORWCPU-CQSZACIVSA-N 2 0 242.407 1.813 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)CC2([NH3+])CCC2)cc1 ZINC000669512456 488118872 /nfs/dbraw/zinc/11/88/72/488118872.db2.gz XYMDAGOQLZGJHZ-JTQLQIEISA-N 2 0 247.342 1.916 20 0 BDADRP [NH3+]CC1(O)CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000403444611 488124321 /nfs/dbraw/zinc/12/43/21/488124321.db2.gz DSSNTQONHNTWHK-FRRDWIJNSA-N 2 0 238.375 1.208 20 0 BDADRP CCc1nn(C)cc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000168658898 487537424 /nfs/dbraw/zinc/53/74/24/487537424.db2.gz MLFFPYOOVVXBSS-NWDGAFQWSA-N 2 0 236.363 1.342 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000667819318 488127537 /nfs/dbraw/zinc/12/75/37/488127537.db2.gz TXAAKVZIUQLUAG-CHWSQXEVSA-N 2 0 226.364 1.485 20 0 BDADRP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000403612003 488129193 /nfs/dbraw/zinc/12/91/93/488129193.db2.gz IZHZVKGDEOHWLQ-RGDJUOJXSA-N 2 0 220.360 1.574 20 0 BDADRP CCC[NH+]1CCC([N@H+](C)C[C@@H](C)CO)CC1 ZINC000121133807 490076709 /nfs/dbraw/zinc/07/67/09/490076709.db2.gz DEHKDNPKYWTONO-GFCCVEGCSA-N 2 0 228.380 1.421 20 0 BDADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC000685462820 487530709 /nfs/dbraw/zinc/53/07/09/487530709.db2.gz MQPQZGULLOQQOZ-CQSZACIVSA-N 2 0 248.374 1.573 20 0 BDADRP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2CCCOC2)C1 ZINC000674302275 487554934 /nfs/dbraw/zinc/55/49/34/487554934.db2.gz KZNXBUTVAFWUQW-KBPBESRZSA-N 2 0 240.391 1.829 20 0 BDADRP CO[C@@H](C)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000167125685 488140040 /nfs/dbraw/zinc/14/00/40/488140040.db2.gz SIUSUDKEISOSDJ-QJPTWQEYSA-N 2 0 212.337 1.238 20 0 BDADRP COC[C@H]1CCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000167891821 487474152 /nfs/dbraw/zinc/47/41/52/487474152.db2.gz AGHFYDJFMWXCEU-CYBMUJFWSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](C[C@@H]2CC[C@@H](C)O2)CC1 ZINC000227054399 487484697 /nfs/dbraw/zinc/48/46/97/487484697.db2.gz WKORBHPLNDWUGU-MDZLAQPJSA-N 2 0 226.364 1.613 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C2CC2)C1 ZINC000399987811 487498990 /nfs/dbraw/zinc/49/89/90/487498990.db2.gz CYNUDQSWNUAYJE-ZIAGYGMSSA-N 2 0 240.391 1.419 20 0 BDADRP CCC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1CC1 ZINC000381069657 487494361 /nfs/dbraw/zinc/49/43/61/487494361.db2.gz NUJIBFZSESSRGP-ZDUSSCGKSA-N 2 0 228.380 1.562 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@@H]1C ZINC000381084268 487494695 /nfs/dbraw/zinc/49/46/95/487494695.db2.gz SGQJPHXDTOHHRY-AGIUHOORSA-N 2 0 228.380 1.418 20 0 BDADRP [NH3+]C1CCC([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000086403951 487501047 /nfs/dbraw/zinc/50/10/47/487501047.db2.gz WFTRKAJWDIZBGF-POSLAHMBSA-N 3 0 211.353 1.116 20 0 BDADRP CC(C)C[C@@H](CO)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000040775315 487516106 /nfs/dbraw/zinc/51/61/06/487516106.db2.gz RGOYLQFGYKEIJU-JSGCOSHPSA-N 2 0 242.407 1.713 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000162065432 487534107 /nfs/dbraw/zinc/53/41/07/487534107.db2.gz MDVFFIBNXHSSDB-OLZOCXBDSA-N 2 0 246.354 1.833 20 0 BDADRP CC1(C[NH2+]Cc2nccs2)CC[NH2+]CC1 ZINC000062841838 490042833 /nfs/dbraw/zinc/04/28/33/490042833.db2.gz WYWWMWKTBZXAHK-UHFFFAOYSA-N 2 0 225.361 1.622 20 0 BDADRP CCCn1cc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cn1 ZINC000666952387 487890642 /nfs/dbraw/zinc/89/06/42/487890642.db2.gz UWMOPVSOKCZAKM-CYBMUJFWSA-N 2 0 248.374 1.525 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000401005697 488016035 /nfs/dbraw/zinc/01/60/35/488016035.db2.gz DLWSWZWNLAHZDW-AAVRWANBSA-N 2 0 238.375 1.389 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCc2ccnn2C)C1 ZINC000230745403 488150538 /nfs/dbraw/zinc/15/05/38/488150538.db2.gz YUFSOXGFYOSGNG-NEPJUHHUSA-N 2 0 236.363 1.022 20 0 BDADRP C(CN1CCCC1)[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000667927992 488161302 /nfs/dbraw/zinc/16/13/02/488161302.db2.gz MKKJKIWYVYHODM-OLZOCXBDSA-N 2 0 224.348 1.239 20 0 BDADRP c1cncc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000401002774 488179189 /nfs/dbraw/zinc/17/91/89/488179189.db2.gz CEUTXLXIVGCZHS-BFHYXJOUSA-N 2 0 231.343 1.559 20 0 BDADRP CCc1ccccc1CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000683519694 488183751 /nfs/dbraw/zinc/18/37/51/488183751.db2.gz NOEDBVGXHAXQAD-IYBDPMFKSA-N 2 0 244.382 1.943 20 0 BDADRP Cc1ncc(CN2C[C@H](C)O[C@H](C)[C@@H]2C)n1C ZINC000668031929 488191102 /nfs/dbraw/zinc/19/11/02/488191102.db2.gz MUOLFAPEZLFIBP-GARJFASQSA-N 2 0 237.347 1.726 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+](CCO)CC(C)(C)C ZINC000678075770 488192117 /nfs/dbraw/zinc/19/21/17/488192117.db2.gz HLWOPTUNIIWOFG-CYBMUJFWSA-N 2 0 242.407 1.811 20 0 BDADRP CC[N@@H+]1CCN(CC[C@H]2CCC[NH+]2C)C[C@H]1C ZINC000678081884 488193023 /nfs/dbraw/zinc/19/30/23/488193023.db2.gz GDVPCYAIGKKEQS-ZIAGYGMSSA-N 2 0 239.407 1.497 20 0 BDADRP C[C@H]1COCCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000678080953 488193355 /nfs/dbraw/zinc/19/33/55/488193355.db2.gz QGQSYUUINLPYNS-QWHCGFSZSA-N 2 0 226.364 1.582 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2COC(C)(C)C2)[C@H](C)C1 ZINC000669544122 488197003 /nfs/dbraw/zinc/19/70/03/488197003.db2.gz SSYHBVBOVDAHDY-UPJWGTAASA-N 2 0 240.391 1.874 20 0 BDADRP Cc1ncc(C[N@@H+]2CCC23CCOCC3)n1C ZINC000668068847 488197324 /nfs/dbraw/zinc/19/73/24/488197324.db2.gz YWTQAVZRKGRJSO-UHFFFAOYSA-N 2 0 235.331 1.483 20 0 BDADRP C[NH+](C)C1CCN(CC[NH2+]CC2(C)CC2)CC1 ZINC000683770973 488218339 /nfs/dbraw/zinc/21/83/39/488218339.db2.gz AMRUYWYFNLTVFC-UHFFFAOYSA-N 2 0 239.407 1.402 20 0 BDADRP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)C1CC1 ZINC000323765225 488221167 /nfs/dbraw/zinc/22/11/67/488221167.db2.gz WAVLDHZYJOZCNK-STQMWFEESA-N 2 0 228.380 1.466 20 0 BDADRP CC[N@H+](C)C[C@H]1CCN(Cc2cn[nH]c2)C1 ZINC000678285566 488237213 /nfs/dbraw/zinc/23/72/13/488237213.db2.gz NTTMLHAUTDZGAF-LLVKDONJSA-N 2 0 222.336 1.183 20 0 BDADRP CC[N@H+](C)C[C@@H]1CCN(Cc2cn(C)cn2)C1 ZINC000683899207 488241254 /nfs/dbraw/zinc/24/12/54/488241254.db2.gz WKYXPHXMZODTCO-LBPRGKRZSA-N 2 0 236.363 1.194 20 0 BDADRP COC[C@H](C)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319717 490051364 /nfs/dbraw/zinc/05/13/64/490051364.db2.gz KZEQVZQOVVJRPG-QWHCGFSZSA-N 2 0 244.379 1.064 20 0 BDADRP CC(C)[NH2+]CC(=O)NCC1([NH3+])CCCCCC1 ZINC000662397447 490065090 /nfs/dbraw/zinc/06/50/90/490065090.db2.gz DKNSVHHLFAPOOU-UHFFFAOYSA-N 2 0 241.379 1.152 20 0 BDADRP c1ccc(COCC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000309715041 490192570 /nfs/dbraw/zinc/19/25/70/490192570.db2.gz KKTAPCXXQZVJJC-HUUCEWRRSA-N 2 0 246.354 1.354 20 0 BDADRP CC[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000381079294 490267682 /nfs/dbraw/zinc/26/76/82/490267682.db2.gz QYDZFXGRVQLZRZ-CHWSQXEVSA-N 2 0 228.380 1.562 20 0 BDADRP C[NH+](C)CCC1CC[NH+](Cc2cncnc2)CC1 ZINC000130548710 490397426 /nfs/dbraw/zinc/39/74/26/490397426.db2.gz NBUCKNDSIDUZEO-UHFFFAOYSA-N 2 0 248.374 1.640 20 0 BDADRP C[C@@H]1CC[C@@H](C[N@@H+]2CC[C@](C)(C[NH3+])C2)O1 ZINC000300351522 490557759 /nfs/dbraw/zinc/55/77/59/490557759.db2.gz BEKQYVJLHIGCSH-GRYCIOLGSA-N 2 0 212.337 1.225 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cncs2)C1 ZINC000131430040 490636323 /nfs/dbraw/zinc/63/63/23/490636323.db2.gz CMPOFXBTHUKGRB-IUCAKERBSA-N 2 0 211.334 1.503 20 0 BDADRP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1cn[nH]c1 ZINC000222508937 490644185 /nfs/dbraw/zinc/64/41/85/490644185.db2.gz IQNLRSJURKWJSH-QWRGUYRKSA-N 2 0 236.363 1.791 20 0 BDADRP Cc1cccc(CC[NH2+]C[C@H]2CC[NH2+][C@H](C)C2)n1 ZINC000415110866 491092548 /nfs/dbraw/zinc/09/25/48/491092548.db2.gz SYRFFYZOXKCUBM-KGLIPLIRSA-N 2 0 247.386 1.910 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000422741421 491101160 /nfs/dbraw/zinc/10/11/60/491101160.db2.gz DMDNMNNICLFFJB-VEGXAWMVSA-N 2 0 224.348 1.284 20 0 BDADRP C[C@H]([NH2+]CCCCCO)C1CC[NH+](C)CC1 ZINC000228735740 491103156 /nfs/dbraw/zinc/10/31/56/491103156.db2.gz MKAKROPOLZTBHR-LBPRGKRZSA-N 2 0 228.380 1.469 20 0 BDADRP C[C@@H](Cn1cccn1)[NH2+][C@H]1CCN(CC2CC2)C1 ZINC000138437433 491121806 /nfs/dbraw/zinc/12/18/06/491121806.db2.gz FQTKFODWRWHFMZ-JSGCOSHPSA-N 2 0 248.374 1.346 20 0 BDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]CC1(C)CC1 ZINC000309566100 491151716 /nfs/dbraw/zinc/15/17/16/491151716.db2.gz MEONYPOAVWFQKS-GFCCVEGCSA-N 2 0 225.380 1.012 20 0 BDADRP COCC1([NH2+][C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000309671389 491153612 /nfs/dbraw/zinc/15/36/12/491153612.db2.gz WDUMXRGCMJZYST-NSHDSACASA-N 2 0 226.364 1.485 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000083462513 491161791 /nfs/dbraw/zinc/16/17/91/491161791.db2.gz QNQZUHQTFNSSKM-AAEUAGOBSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@H](NCC1([NH+](C)C)CCCC1)[C@H]1CCC[NH2+]1 ZINC000400739581 533832402 /nfs/dbraw/zinc/83/24/02/533832402.db2.gz SLPXLJPEUMGUKV-QWHCGFSZSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H](O)C1)[C@H]1CCC[NH2+]1 ZINC000400437126 533885431 /nfs/dbraw/zinc/88/54/31/533885431.db2.gz LOEZCUDIMHPADK-QNWHQSFQSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@H]([NH2+][C@@H](C)C1CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000400709341 533972230 /nfs/dbraw/zinc/97/22/30/533972230.db2.gz LWASCNCEWQBUGW-GVXVVHGQSA-N 2 0 226.364 1.532 20 0 BDADRP CC[C@](C)(O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000251889074 535846193 /nfs/dbraw/zinc/84/61/93/535846193.db2.gz WSQIXEOSQQLNLT-RDBSUJKOSA-N 2 0 240.391 1.564 20 0 BDADRP C[N@H+](CCC[NH3+])[C@H]1CCc2ccccc2C1 ZINC000227745537 536342581 /nfs/dbraw/zinc/34/25/81/536342581.db2.gz WPXPKEXSJKMIPW-AWEZNQCLSA-N 2 0 218.344 1.825 20 0 BDADRP CC(C)(C)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000257685287 534604833 /nfs/dbraw/zinc/60/48/33/534604833.db2.gz HYOOFQNTPIJFFZ-GFCCVEGCSA-N 2 0 225.380 1.012 20 0 BDADRP C[NH2+][C@@H]1CCCN(c2cc[nH+]cc2C)C1 ZINC000070047590 536365904 /nfs/dbraw/zinc/36/59/04/536365904.db2.gz GBHXGOPUXKTZST-LLVKDONJSA-N 2 0 205.305 1.578 20 0 BDADRP C[N@@H+]1CC[C@@H]2CCN(C[C@@H]3CCC[NH2+]C3)[C@@H]2C1 ZINC000261764504 536463282 /nfs/dbraw/zinc/46/32/82/536463282.db2.gz DHBAUXDNQUSIQM-MGPQQGTHSA-N 2 0 237.391 1.012 20 0 BDADRP COC[C@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000261544103 536523812 /nfs/dbraw/zinc/52/38/12/536523812.db2.gz WRKLOPRUANJEPS-KGLIPLIRSA-N 2 0 240.391 1.735 20 0 BDADRP CCC[NH+]1CCC(N[C@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000400495803 528203367 /nfs/dbraw/zinc/20/33/67/528203367.db2.gz AWCHSKNKSVCZHJ-OCCSQVGLSA-N 2 0 239.407 1.591 20 0 BDADRP CC(C)[C@@H](C(=O)N[C@H](C)CCCC[NH3+])[NH+](C)C ZINC000495108818 528369544 /nfs/dbraw/zinc/36/95/44/528369544.db2.gz DBUQEAMRLSJIIC-NEPJUHHUSA-N 2 0 243.395 1.206 20 0 BDADRP CCC[C@H]1C[NH2+]CCN1C[C@@H]([NH3+])CC(C)C ZINC000414657984 528415707 /nfs/dbraw/zinc/41/57/07/528415707.db2.gz IRJUTTRTLYDONX-STQMWFEESA-N 2 0 227.396 1.434 20 0 BDADRP CCOCC(C)(C)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400434906 528568238 /nfs/dbraw/zinc/56/82/38/528568238.db2.gz LAWGBRYDDAWYBF-RYUDHWBXSA-N 2 0 228.380 1.779 20 0 BDADRP CCOCC(C)(C)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400434904 528568832 /nfs/dbraw/zinc/56/88/32/528568832.db2.gz LAWGBRYDDAWYBF-NWDGAFQWSA-N 2 0 228.380 1.779 20 0 BDADRP CCOCC(C)(C)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400434908 528568978 /nfs/dbraw/zinc/56/89/78/528568978.db2.gz LAWGBRYDDAWYBF-VXGBXAGGSA-N 2 0 228.380 1.779 20 0 BDADRP CCCCOCCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400342157 528587922 /nfs/dbraw/zinc/58/79/22/528587922.db2.gz HRYCIDXMANLPHP-OLZOCXBDSA-N 2 0 228.380 1.923 20 0 BDADRP CC(C)N(C)C[C@@H](C)[NH2+][C@H](C)CCC[NH3+] ZINC000309026223 528829884 /nfs/dbraw/zinc/82/98/84/528829884.db2.gz YCASTPRJOGUEPJ-VXGBXAGGSA-N 2 0 215.385 1.432 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000335646060 534985310 /nfs/dbraw/zinc/98/53/10/534985310.db2.gz KEBGTYOMYZSIKO-WDEREUQCSA-N 2 0 212.337 1.143 20 0 BDADRP CC(C)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000257767088 535153284 /nfs/dbraw/zinc/15/32/84/535153284.db2.gz AINRLOKRGQMHNF-UHFFFAOYSA-N 2 0 214.353 1.173 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000223644672 535160270 /nfs/dbraw/zinc/16/02/70/535160270.db2.gz PXYPDKUOEUJQEL-SDDRHHMPSA-N 2 0 214.353 1.076 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000252715954 535160997 /nfs/dbraw/zinc/16/09/97/535160997.db2.gz XEOFSBYGMBMROK-YVECIDJPSA-N 2 0 228.380 1.322 20 0 BDADRP CC(C)[N@@H+]1CCC[C@H](CNC2=[NH+]CCCN2)C1 ZINC000261724165 535177110 /nfs/dbraw/zinc/17/71/10/535177110.db2.gz GJYRKBMILXCMFN-GFCCVEGCSA-N 2 0 238.379 1.046 20 0 BDADRP CC(C)([NH3+])CNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000335700178 535206834 /nfs/dbraw/zinc/20/68/34/535206834.db2.gz KTKOQPHYBOKQJD-GHMZBOCLSA-N 2 0 241.379 1.138 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)C1(C)C ZINC000261540134 535409485 /nfs/dbraw/zinc/40/94/85/535409485.db2.gz DVASKOAQVMRTBF-YNEHKIRRSA-N 2 0 240.391 1.779 20 0 BDADRP CC[NH2+]CC1CC[NH+](CCCF)CC1 ZINC000088025661 535458254 /nfs/dbraw/zinc/45/82/54/535458254.db2.gz IOOOVSCHTPGZRF-UHFFFAOYSA-N 2 0 202.317 1.668 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@@H](O)CC(C)(C)C)CC1 ZINC000223698713 535473709 /nfs/dbraw/zinc/47/37/09/535473709.db2.gz OKQSTYXKDSDYRA-ZDUSSCGKSA-N 2 0 242.407 1.857 20 0 BDADRP CC[NH2+][C@H](C)CNC(=O)CCCCCC[NH3+] ZINC000262426321 535511930 /nfs/dbraw/zinc/51/19/30/535511930.db2.gz CTOOAFADGMQWDJ-LLVKDONJSA-N 2 0 229.368 1.010 20 0 BDADRP CCOCCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000249296410 535549975 /nfs/dbraw/zinc/54/99/75/535549975.db2.gz DBRFQUSRCBKHJQ-FRRDWIJNSA-N 2 0 228.380 1.731 20 0 BDADRP CCOC[C@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000133009868 535691843 /nfs/dbraw/zinc/69/18/43/535691843.db2.gz BPCGSVXIIZWKGY-MNOVXSKESA-N 2 0 202.342 1.341 20 0 BDADRP CC[N@@H+]1C[C@H](C)[C@H](NCCC[NH+](C)C(C)C)C1 ZINC000343153629 535781672 /nfs/dbraw/zinc/78/16/72/535781672.db2.gz DOGZDUYSWFMMMR-UONOGXRCSA-N 2 0 241.423 1.647 20 0 BDADRP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000166815291 535804857 /nfs/dbraw/zinc/80/48/57/535804857.db2.gz UIBVDKVQIRWAHV-QWHCGFSZSA-N 2 0 226.364 1.221 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000252713314 536000466 /nfs/dbraw/zinc/00/04/66/536000466.db2.gz OUZHBLCFIWAQMT-ZDEQEGDKSA-N 2 0 228.380 1.323 20 0 BDADRP CC[C@@](C)(O)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000177961342 536010762 /nfs/dbraw/zinc/01/07/62/536010762.db2.gz HFLYEFZORAIVCF-CQSZACIVSA-N 2 0 242.407 2.000 20 0 BDADRP CC[C@@]1(C)CCC[N@H+](CCOCC[NH3+])C1 ZINC000261550812 536038095 /nfs/dbraw/zinc/03/80/95/536038095.db2.gz PSRUULYPNHWSGQ-LBPRGKRZSA-N 2 0 214.353 1.474 20 0 BDADRP C[NH+](C)[C@H]1CCC[N@H+](CC(C)(C)O)CC1 ZINC000336165886 536136393 /nfs/dbraw/zinc/13/63/93/536136393.db2.gz GBNINPURPRCWPU-NSHDSACASA-N 2 0 214.353 1.173 20 0 BDADRP C[NH+](C)[C@H]1CCC[N@H+](C[C@@H]2CCOC2)CC1 ZINC000336119423 536137700 /nfs/dbraw/zinc/13/77/00/536137700.db2.gz NPVWLSQENNORMR-STQMWFEESA-N 2 0 226.364 1.439 20 0 BDADRP C[N@H+](CCC1CCOCC1)C[C@@]1(C)CC[NH2+]C1 ZINC000262111034 536326573 /nfs/dbraw/zinc/32/65/73/536326573.db2.gz WMXJBFPVZHNJJP-AWEZNQCLSA-N 2 0 240.391 1.735 20 0 BDADRP C[NH2+][C@H](C)CNC(=O)CC1(C[NH3+])CCCCC1 ZINC000261854260 536390839 /nfs/dbraw/zinc/39/08/39/536390839.db2.gz XPXVMDUNOQXXSK-LLVKDONJSA-N 2 0 241.379 1.010 20 0 BDADRP COCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250442227 536589707 /nfs/dbraw/zinc/58/97/07/536589707.db2.gz BEFOBKPGNYDWAI-NEPJUHHUSA-N 2 0 212.337 1.239 20 0 BDADRP COCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000086494250 536590589 /nfs/dbraw/zinc/59/05/89/536590589.db2.gz BNBFGNSLVOSRKB-UPJWGTAASA-N 2 0 226.364 1.533 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CCCC(C)C ZINC000234715377 536595262 /nfs/dbraw/zinc/59/52/62/536595262.db2.gz XQICCZDQDWTVJS-GFCCVEGCSA-N 2 0 216.369 1.766 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CCC[NH2+]CC1)C1CC1 ZINC000261975434 536646426 /nfs/dbraw/zinc/64/64/26/536646426.db2.gz FTUCYSMDRGAKGI-VXGBXAGGSA-N 2 0 212.337 1.143 20 0 BDADRP CO[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)CC[C@@H]1C ZINC000261533374 536730104 /nfs/dbraw/zinc/73/01/04/536730104.db2.gz HJTMBTJTXOFESQ-YNEHKIRRSA-N 2 0 226.364 1.343 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2C[NH3+])C1(C)C ZINC000261541297 536808759 /nfs/dbraw/zinc/80/87/59/536808759.db2.gz JOUPHPIVWJOOLU-QNWHQSFQSA-N 2 0 240.391 1.907 20 0 BDADRP COc1cc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])ccn1 ZINC000089146308 536808690 /nfs/dbraw/zinc/80/86/90/536808690.db2.gz WQNJWAPADNKPNZ-QWHCGFSZSA-N 2 0 249.358 1.697 20 0 BDADRP COC[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)C(C)C ZINC000227496235 536874780 /nfs/dbraw/zinc/87/47/80/536874780.db2.gz YKNHEXNDVXSEHS-ZDUSSCGKSA-N 2 0 242.407 1.979 20 0 BDADRP COc1ccccc1C[NH2+][C@H](C)CC[NH3+] ZINC000220536265 537048683 /nfs/dbraw/zinc/04/86/83/537048683.db2.gz XOCUKEDJWPFINJ-SNVBAGLBSA-N 2 0 208.305 1.522 20 0 BDADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CC[C@@H]2C2CC2)CC1 ZINC000348105140 566264446 /nfs/dbraw/zinc/26/44/46/566264446.db2.gz FSOXVFMBKOTXLC-CHWSQXEVSA-N 2 0 238.375 1.221 20 0 BDADRP C[C@@H](CO)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394451939 582976405 /nfs/dbraw/zinc/97/64/05/582976405.db2.gz TWXGURFINFIGOA-FKJOKYEKSA-N 2 0 226.364 1.172 20 0 BDADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCC1SCCS1 ZINC000853022927 588716589 /nfs/dbraw/zinc/71/65/89/588716589.db2.gz HVRWQTITVIBUST-UWVGGRQHSA-N 2 0 246.445 1.852 20 0 BDADRP [NH3+]CCOc1ccc(NC[C@@]23C[C@@H]2C[NH2+]C3)cc1 ZINC000853246693 588728565 /nfs/dbraw/zinc/72/85/65/588728565.db2.gz PUNNLHOKTPUPPP-RISCZKNCSA-N 2 0 247.342 1.046 20 0 BDADRP Cc1cc([C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)n(C)n1 ZINC000854230157 588781099 /nfs/dbraw/zinc/78/10/99/588781099.db2.gz IHCHEMXXNVLLPM-NWDGAFQWSA-N 2 0 238.379 1.753 20 0 BDADRP C[C@H](C[NH+]1CCCCC1)Nc1cc[nH+]cc1CO ZINC000891793158 582721997 /nfs/dbraw/zinc/72/19/97/582721997.db2.gz MXWROKTYLAEBMB-GFCCVEGCSA-N 2 0 249.358 1.282 20 0 BDADRP CC[NH+]1CCC(CNc2cc[nH+]cc2CO)CC1 ZINC000891983278 582752022 /nfs/dbraw/zinc/75/20/22/582752022.db2.gz RPMPBCSQHZWRTO-UHFFFAOYSA-N 2 0 249.358 1.140 20 0 BDADRP CCOC[C@H]1CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000892178911 582805792 /nfs/dbraw/zinc/80/57/92/582805792.db2.gz DWPAGIZOWFNKBS-AWEZNQCLSA-N 2 0 240.391 1.687 20 0 BDADRP Cc1cc(N)nc(NCC2CC[NH+](C)CC2)[nH+]1 ZINC000892253930 582813879 /nfs/dbraw/zinc/81/38/79/582813879.db2.gz HZEUOAIKGUOGGS-UHFFFAOYSA-N 2 0 235.335 1.121 20 0 BDADRP CN1CC[N@H+](CCCCCCC[NH3+])CC1(C)C ZINC000110763101 582814754 /nfs/dbraw/zinc/81/47/54/582814754.db2.gz ZDBXZSRCQCWZSX-UHFFFAOYSA-N 2 0 241.423 1.922 20 0 BDADRP CC(=O)OC[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000892607163 582928617 /nfs/dbraw/zinc/92/86/17/582928617.db2.gz HVLLPXYJUDBOGG-CYZMBNFOSA-N 2 0 240.347 1.154 20 0 BDADRP C[C@H]1C[C@H](Nc2cc[nH+]cc2CO)C[N@@H+]1C1CC1 ZINC000892875629 583001586 /nfs/dbraw/zinc/00/15/86/583001586.db2.gz HEOIOACYRPJDHV-JQWIXIFHSA-N 2 0 247.342 1.033 20 0 BDADRP CO[C@H](C[NH2+]CC1CC[NH+](C)CC1)C(C)(C)C ZINC000893086020 583047326 /nfs/dbraw/zinc/04/73/26/583047326.db2.gz LZRVUDBQEXDOHA-CYBMUJFWSA-N 2 0 242.407 1.979 20 0 BDADRP C[C@H]([NH2+]C[C@]1(C)CCOC1)C1CC[NH+](C)CC1 ZINC000397186106 583098530 /nfs/dbraw/zinc/09/85/30/583098530.db2.gz MFVIZKONDOTWCE-JSGCOSHPSA-N 2 0 240.391 1.733 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000857085124 588886452 /nfs/dbraw/zinc/88/64/52/588886452.db2.gz ISSPPPGFTYXYQS-CHWSQXEVSA-N 2 0 225.380 1.319 20 0 BDADRP Cc1ncoc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000894001689 583272577 /nfs/dbraw/zinc/27/25/77/583272577.db2.gz IWRMEHZNYCKYAU-UHFFFAOYSA-N 2 0 237.347 1.757 20 0 BDADRP CCC(CC)(C[NH3+])NC(=O)CCCCC[NH3+] ZINC000841848956 583365243 /nfs/dbraw/zinc/36/52/43/583365243.db2.gz XKJISTOEUXCRAP-UHFFFAOYSA-N 2 0 229.368 1.139 20 0 BDADRP CC(C)C[C@@H](CO)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000894496809 583473358 /nfs/dbraw/zinc/47/33/58/583473358.db2.gz RALIRLCEIOSKRG-AWEZNQCLSA-N 2 0 242.407 1.667 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CC[C@](O)(C(F)F)C2)CC1 ZINC000894708055 583512001 /nfs/dbraw/zinc/51/20/01/583512001.db2.gz RFEYJTYAOPHFRE-GFCCVEGCSA-N 2 0 248.317 1.030 20 0 BDADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cnc[nH]3)C2)CC1 ZINC000894779583 583519626 /nfs/dbraw/zinc/51/96/26/583519626.db2.gz IXGOXVVZAFRKNT-ZDUSSCGKSA-N 2 0 248.374 1.573 20 0 BDADRP CC(=O)OC[C@@H](C)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000894860780 583534271 /nfs/dbraw/zinc/53/42/71/583534271.db2.gz GLMYAQCHULIUIW-DGCLKSJQSA-N 2 0 242.363 1.260 20 0 BDADRP c1ncc(C[NH2+]C[C@@H]2CCOC3(CCC3)C2)[nH]1 ZINC000894896504 583550211 /nfs/dbraw/zinc/55/02/11/583550211.db2.gz XWFUWKDQALVCKU-LLVKDONJSA-N 2 0 235.331 1.849 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2COCC2(C)C)C1 ZINC000895189368 583619653 /nfs/dbraw/zinc/61/96/53/583619653.db2.gz UMVHJSSARXHXFK-TUAOUCFPSA-N 2 0 226.364 1.341 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2nccn2C2CC2)C1 ZINC000895204283 583624935 /nfs/dbraw/zinc/62/49/35/583624935.db2.gz AKLNKUOFTYLMRT-BJHJDKERSA-N 2 0 248.374 1.648 20 0 BDADRP C[C@H](CCn1cccn1)[NH2+]CC[C@H](C)[NH+](C)C ZINC000895293640 583639415 /nfs/dbraw/zinc/63/94/15/583639415.db2.gz ITCVHFMCFHBTSV-OLZOCXBDSA-N 2 0 238.379 1.592 20 0 BDADRP C[C@H](Cc1cnccn1)[NH2+]CC[C@@H](C)[NH+](C)C ZINC000895293827 583639861 /nfs/dbraw/zinc/63/98/61/583639861.db2.gz ROAZHOHNRXDUMA-VXGBXAGGSA-N 2 0 236.363 1.337 20 0 BDADRP C[C@H](O)C1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000895443776 583674660 /nfs/dbraw/zinc/67/46/60/583674660.db2.gz YWTPBTDLEMMIAE-YEJSDXFRSA-N 2 0 224.348 1.115 20 0 BDADRP C[C@H]1[C@H](Nc2cc(N)[nH+]cc2Cl)CC[N@@H+]1C ZINC000895735482 583717025 /nfs/dbraw/zinc/71/70/25/583717025.db2.gz VHRJMETYYLUMRM-IONNQARKSA-N 2 0 240.738 1.822 20 0 BDADRP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000896398394 583799335 /nfs/dbraw/zinc/79/93/35/583799335.db2.gz KUHDLHKZEJXFDG-RUZUBIRVSA-N 2 0 222.376 1.962 20 0 BDADRP C[C@@H]1[C@H]([NH2+]C[C@H]2CC2(Cl)Cl)CCN1C ZINC000896554957 583811931 /nfs/dbraw/zinc/81/19/31/583811931.db2.gz WCGCLXQBAVSPME-IWSPIJDZSA-N 2 0 237.174 1.862 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@@H](CO)C2CC2)CC1(C)C ZINC000858138070 588934879 /nfs/dbraw/zinc/93/48/79/588934879.db2.gz NJIVFFUGAJVKIN-RYUDHWBXSA-N 2 0 226.364 1.220 20 0 BDADRP CC1(C)CC[N@H+](CCNc2cc[nH+]cc2CO)C1 ZINC000897248747 583902780 /nfs/dbraw/zinc/90/27/80/583902780.db2.gz ZZTRKCXECDIRBI-UHFFFAOYSA-N 2 0 249.358 1.140 20 0 BDADRP C[C@H](CNc1cc[nH+]c(CO)c1)C[NH+]1CCCC1 ZINC000858356490 588948532 /nfs/dbraw/zinc/94/85/32/588948532.db2.gz XYDQPEBYXKFEDZ-GFCCVEGCSA-N 2 0 249.358 1.718 20 0 BDADRP CSC1(C[N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)CC1 ZINC000897620295 584032540 /nfs/dbraw/zinc/03/25/40/584032540.db2.gz LQQCUPBMWNBHBS-NWDGAFQWSA-N 2 0 240.416 1.766 20 0 BDADRP C[C@H](Cc1cccnc1)[NH2+]CC1CC[NH+](C)CC1 ZINC000897965182 584069312 /nfs/dbraw/zinc/06/93/12/584069312.db2.gz NPNBTGFAFHKPPI-CYBMUJFWSA-N 2 0 247.386 1.944 20 0 BDADRP C[C@@H](Cc1cccnc1)[NH2+]CC1CC[NH+](C)CC1 ZINC000897965183 584069507 /nfs/dbraw/zinc/06/95/07/584069507.db2.gz NPNBTGFAFHKPPI-ZDUSSCGKSA-N 2 0 247.386 1.944 20 0 BDADRP COC[C@H](C)C[NH+]1CCC([NH2+]C2CCC2)CC1 ZINC000897982280 584072376 /nfs/dbraw/zinc/07/23/76/584072376.db2.gz ILGMBAKHBIRPCI-GFCCVEGCSA-N 2 0 240.391 1.875 20 0 BDADRP C[NH+](C)CC(C)(C)C[N@H+](C)CC[C@@H]1CCOC1 ZINC000898308107 584109748 /nfs/dbraw/zinc/10/97/48/584109748.db2.gz OICJSVMSPZJBNN-CYBMUJFWSA-N 2 0 242.407 1.933 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000841049828 584124727 /nfs/dbraw/zinc/12/47/27/584124727.db2.gz WSJNZBVKFIIVCR-CHWFTXMASA-N 2 0 246.445 1.550 20 0 BDADRP CC1(C)[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)[C@@H]2CCCO[C@H]21 ZINC000873250066 584128231 /nfs/dbraw/zinc/12/82/31/584128231.db2.gz DDNZGMSXNNXQKH-OBPIAQAESA-N 2 0 238.375 1.517 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000873258320 584128246 /nfs/dbraw/zinc/12/82/46/584128246.db2.gz NUTDJRLHINSUDI-ZDEQEGDKSA-N 3 0 225.380 1.044 20 0 BDADRP C[C@@H](CCc1ccco1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873255017 584128349 /nfs/dbraw/zinc/12/83/49/584128349.db2.gz DBGQEXLRSKWVTC-SDDRHHMPSA-N 2 0 222.332 1.928 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1)C1C[NH2+]C1 ZINC000873281878 584128829 /nfs/dbraw/zinc/12/88/29/584128829.db2.gz QHEQROHBYUACRI-JULQROHOSA-N 2 0 224.348 1.142 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000873282572 584129082 /nfs/dbraw/zinc/12/90/82/584129082.db2.gz VHHFNJNXFIZUMG-RXGFPQBGSA-N 2 0 224.348 1.413 20 0 BDADRP Cl/C=C\CNC1CC[NH+](C2CC2)CC1 ZINC000898429367 584133269 /nfs/dbraw/zinc/13/32/69/584133269.db2.gz NSBWLUJJNIVJRW-BHQIHCQQSA-N 2 0 214.740 1.955 20 0 BDADRP C[C@H](NC(=[NH2+])NCC1CC[NH+](C)CC1)C1CC1 ZINC000899264850 584189001 /nfs/dbraw/zinc/18/90/01/584189001.db2.gz NUKGUKUBVIOEKK-JTQLQIEISA-N 2 0 238.379 1.241 20 0 BDADRP C[C@@H](NC(=[NH2+])NCC(C)(C)C[NH+](C)C)C1CC1 ZINC000899263881 584189125 /nfs/dbraw/zinc/18/91/25/584189125.db2.gz TXMQUZULIPDRSH-SNVBAGLBSA-N 2 0 240.395 1.487 20 0 BDADRP CCC[N@H+](CC)CCNC(=[NH2+])N[C@H](C)C1CC1 ZINC000899267220 584190631 /nfs/dbraw/zinc/19/06/31/584190631.db2.gz MHOZGDDRISEHIQ-LLVKDONJSA-N 2 0 240.395 1.631 20 0 BDADRP Cn1ncc(-c2ccc(F)c(C[NH3+])c2)c1C[NH3+] ZINC000899323504 584196440 /nfs/dbraw/zinc/19/64/40/584196440.db2.gz QFSWHWMUERLTOC-UHFFFAOYSA-N 2 0 234.278 1.144 20 0 BDADRP [NH3+][C@H]1Cc2ccc(C3=CCC[NH2+]C3)cc2C1 ZINC000899322872 584196489 /nfs/dbraw/zinc/19/64/89/584196489.db2.gz ARTWXXZWBPGHGD-AWEZNQCLSA-N 2 0 214.312 1.489 20 0 BDADRP C[C@]1(c2nc(C3([NH3+])CCCC3)no2)CCC[NH2+]1 ZINC000900006073 584264285 /nfs/dbraw/zinc/26/42/85/584264285.db2.gz PDVWEZGARBYFPS-LLVKDONJSA-N 2 0 236.319 1.396 20 0 BDADRP C[C@@H]1C[C@H](c2nc([C@@H]3CCC[NH2+]3)no2)CC[NH2+]1 ZINC000900009290 584264850 /nfs/dbraw/zinc/26/48/50/584264850.db2.gz GAYSDVSPHGPRSY-BBBLOLIVSA-N 2 0 236.319 1.350 20 0 BDADRP C[NH2+][C@H](C)Cc1noc([C@@H]2CC[NH2+][C@H](C)C2)n1 ZINC000900008964 584264864 /nfs/dbraw/zinc/26/48/64/584264864.db2.gz REEZWYGNJYNQDN-OPRDCNLKSA-N 2 0 238.335 1.076 20 0 BDADRP CC(C)[N@H+](C)CCN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902348236 584559451 /nfs/dbraw/zinc/55/94/51/584559451.db2.gz XYTYLLYWVJHRRX-ZDUSSCGKSA-N 2 0 241.423 1.694 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902328072 584561188 /nfs/dbraw/zinc/56/11/88/584561188.db2.gz IWXZVDSWLAHOCD-ZDUSSCGKSA-N 3 0 241.423 1.696 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCn2ccnc2)C1 ZINC000902327602 584561267 /nfs/dbraw/zinc/56/12/67/584561267.db2.gz FGVHFDQCGZQQOH-LBPRGKRZSA-N 2 0 236.363 1.251 20 0 BDADRP CO[C@@H](C)C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902376063 584567787 /nfs/dbraw/zinc/56/77/87/584567787.db2.gz HXASIFBYSYSEIW-WDEREUQCSA-N 2 0 214.353 1.389 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@H]2CC[C@@H](O)C2)C1 ZINC000902378163 584568540 /nfs/dbraw/zinc/56/85/40/584568540.db2.gz UOFKJXVPOPERIE-RWMBFGLXSA-N 2 0 240.391 1.515 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902359224 584570831 /nfs/dbraw/zinc/57/08/31/584570831.db2.gz GNTNGQNDZUPLAR-AAEUAGOBSA-N 2 0 228.380 1.515 20 0 BDADRP [NH3+]C1(C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)CC1 ZINC000902409227 584575342 /nfs/dbraw/zinc/57/53/42/584575342.db2.gz JZPHLKCIHBZWJJ-GRYCIOLGSA-N 2 0 224.348 1.273 20 0 BDADRP CC[NH2+][C@H](C)CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902392428 584582695 /nfs/dbraw/zinc/58/26/95/584582695.db2.gz HFNXIFITAPJYSX-VXGBXAGGSA-N 2 0 227.396 1.352 20 0 BDADRP C[C@@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)[C@H](C)[NH3+] ZINC000902392138 584582753 /nfs/dbraw/zinc/58/27/53/584582753.db2.gz FBNXYCMJCQDGSQ-HBNTYKKESA-N 2 0 213.369 1.090 20 0 BDADRP CC1(C)C[NH2+]CC[C@H](N[C@@H]2CCCC[NH2+]C2)C1 ZINC000902392286 584582801 /nfs/dbraw/zinc/58/28/01/584582801.db2.gz GTOXWLMNXPYJDT-QWHCGFSZSA-N 2 0 239.407 1.496 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H](NCCC[NH2+]C2CC2)C1 ZINC000902391988 584583067 /nfs/dbraw/zinc/58/30/67/584583067.db2.gz DIEZXMGGKOJEFZ-CYBMUJFWSA-N 2 0 239.407 1.496 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])C2)C1 ZINC000902393550 584583259 /nfs/dbraw/zinc/58/32/59/584583259.db2.gz PVIVMOPRCKHWHA-AVGNSLFASA-N 3 0 239.407 1.482 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@H]1N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902395000 584584436 /nfs/dbraw/zinc/58/44/36/584584436.db2.gz ZNYMLIHQZSLLMS-JHJVBQTASA-N 2 0 239.407 1.352 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H]2CC23CC3)C1 ZINC000902395137 584584522 /nfs/dbraw/zinc/58/45/22/584584522.db2.gz ZRUCSDWAILKVLT-GHMZBOCLSA-N 2 0 208.349 1.907 20 0 BDADRP Cn1cncc1CCCOCc1ncc[nH]1 ZINC000902400186 584586466 /nfs/dbraw/zinc/58/64/66/584586466.db2.gz NVUKQVSKDPSXNV-UHFFFAOYSA-N 2 0 220.276 1.293 20 0 BDADRP C[C@@H]1COC[C@H]1[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902403496 584587991 /nfs/dbraw/zinc/58/79/91/584587991.db2.gz HKHDQSYFQQJMOA-GRYCIOLGSA-N 2 0 226.364 1.389 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000902429567 584594910 /nfs/dbraw/zinc/59/49/10/584594910.db2.gz MSEPJQNWRBVQKL-XUXIUFHCSA-N 2 0 240.391 1.645 20 0 BDADRP C[C@H]1[NH2+]CCC[C@H]1N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902431467 584595338 /nfs/dbraw/zinc/59/53/38/584595338.db2.gz FIFHJUGPJKFJGM-JUDXGUMMSA-N 2 0 245.370 1.341 20 0 BDADRP N[C@@H]1c2ccccc2C[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000902436540 584596708 /nfs/dbraw/zinc/59/67/08/584596708.db2.gz ZEXTUBMOVVRFGK-BBNOBNGHSA-N 2 0 245.370 1.471 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@@H]1C[NH2+]CC1(C)C)[NH2+]2 ZINC000902441229 584597810 /nfs/dbraw/zinc/59/78/10/584597810.db2.gz CTSXJYIPLLIFKD-NZEXEKPDSA-N 2 0 237.391 1.103 20 0 BDADRP C[C@H](NC[C@@H]1CCCCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000902474262 584601905 /nfs/dbraw/zinc/60/19/05/584601905.db2.gz CBPRKERMWJBNHT-AVGNSLFASA-N 2 0 225.380 1.249 20 0 BDADRP C1C[C@H]2C[C@H](N[C@@H]3C[C@H]4CC[C@@H]3[NH2+]4)CC[N@@H+]2C1 ZINC000902475289 584602680 /nfs/dbraw/zinc/60/26/80/584602680.db2.gz HRZQXTNTZMTROF-PEBLQZBPSA-N 2 0 235.375 1.096 20 0 BDADRP C(N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)[C@@H]1CCCCC[NH2+]1 ZINC000902476277 584602962 /nfs/dbraw/zinc/60/29/62/584602962.db2.gz LAIASDXSFAEVSD-UQGHGMQMSA-N 2 0 249.402 1.105 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@@H]1CCCCC[NH2+]1 ZINC000902477107 584603517 /nfs/dbraw/zinc/60/35/17/584603517.db2.gz PQBNYOWDNCEQCH-MELADBBJSA-N 2 0 239.407 1.626 20 0 BDADRP CC(C)[NH+]1CCC(N[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000902447075 584604008 /nfs/dbraw/zinc/60/40/08/584604008.db2.gz RGWRYDLIBHASDI-ZDUSSCGKSA-N 2 0 239.407 1.447 20 0 BDADRP CC1(C)C[NH2+]C[C@@H]1N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000902446981 584604221 /nfs/dbraw/zinc/60/42/21/584604221.db2.gz WSPGWWNHOIDGDB-RDBSUJKOSA-N 2 0 245.370 1.719 20 0 BDADRP CCC[NH+]1CCC(N[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000902447096 584604388 /nfs/dbraw/zinc/60/43/88/584604388.db2.gz RRLNSUHRQBBKNA-ZDUSSCGKSA-N 2 0 239.407 1.448 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@H]2CCC[C@H]21 ZINC000902452762 584607866 /nfs/dbraw/zinc/60/78/66/584607866.db2.gz ALXMSNYGKOPUQW-YVECIDJPSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902454771 584609257 /nfs/dbraw/zinc/60/92/57/584609257.db2.gz VHQKLNGNTADZDP-LHWOPQQMSA-N 2 0 236.359 1.140 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000902459088 584610945 /nfs/dbraw/zinc/61/09/45/584610945.db2.gz BAPVFOIQWVFAOJ-JZRPKSSGSA-N 2 0 237.391 1.375 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902460863 584611749 /nfs/dbraw/zinc/61/17/49/584611749.db2.gz JPGAQKLEMFVGGZ-OBPIAQAESA-N 2 0 223.364 1.129 20 0 BDADRP C1CC1[NH+]1CCC(N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC000902463185 584612360 /nfs/dbraw/zinc/61/23/60/584612360.db2.gz ZOZVEQGBIAJTIW-IACUBPJLSA-N 2 0 235.375 1.096 20 0 BDADRP C[C@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1c[nH+]ccc1N ZINC000902462628 584612655 /nfs/dbraw/zinc/61/26/55/584612655.db2.gz WHJIMUZWWMDLDB-RBJBARPLSA-N 2 0 232.331 1.038 20 0 BDADRP CC[N@@H+]1CC[C@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)[C@@H](C)C1 ZINC000902466571 584613862 /nfs/dbraw/zinc/61/38/62/584613862.db2.gz LZPMZDLMKOMZNI-QSLWVIQJSA-N 2 0 237.391 1.199 20 0 BDADRP CC[N@@H+]1CC[C@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)[C@H](C)C1 ZINC000902466567 584614266 /nfs/dbraw/zinc/61/42/66/584614266.db2.gz LZPMZDLMKOMZNI-MBJXGIAVSA-N 2 0 237.391 1.199 20 0 BDADRP CCC[NH+]1CCC(N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC000902467883 584614573 /nfs/dbraw/zinc/61/45/73/584614573.db2.gz QUPZAOWQNRMGQE-BFHYXJOUSA-N 2 0 237.391 1.343 20 0 BDADRP C[N@@H+]1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)[C@H]2CCC[C@@H]21 ZINC000902469200 584615721 /nfs/dbraw/zinc/61/57/21/584615721.db2.gz YXFWHCNSIRCEOQ-YRKSKIDTSA-N 2 0 249.402 1.342 20 0 BDADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2CCC23CCOCC3)C1 ZINC000902485728 584625353 /nfs/dbraw/zinc/62/53/53/584625353.db2.gz NDHMTUOLEDAPHM-IJLUTSLNSA-N 2 0 224.348 1.273 20 0 BDADRP CC[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1nccn1C ZINC000902487100 584626051 /nfs/dbraw/zinc/62/60/51/584626051.db2.gz JPWCRYQDILRRTM-GMTAPVOTSA-N 2 0 222.336 1.198 20 0 BDADRP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)C1CCSCC1 ZINC000902487244 584626180 /nfs/dbraw/zinc/62/61/80/584626180.db2.gz SENQNFDFTBAQMQ-NHCYSSNCSA-N 2 0 228.405 1.845 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)[C@@H]2CCC[C@@H]21 ZINC000902488670 584627377 /nfs/dbraw/zinc/62/73/77/584627377.db2.gz ZOAFSPGCDKGIIC-PEDHHIEDSA-N 3 0 237.391 1.186 20 0 BDADRP [NH3+]C1CCC([NH2+][C@H]2COC[C@H]2C2CC2)CC1 ZINC000902516005 584629863 /nfs/dbraw/zinc/62/98/63/584629863.db2.gz BNIXDUQNDLDMJR-TYUFSLCMSA-N 2 0 224.348 1.271 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C/C=C/Cl ZINC000902517483 584629948 /nfs/dbraw/zinc/62/99/48/584629948.db2.gz IIBFQQXOLXYGMA-FAELLTOESA-N 2 0 202.729 1.846 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C/C=C\Cl ZINC000902517503 584630103 /nfs/dbraw/zinc/63/01/03/584630103.db2.gz IMJLKFUSBZSJHI-FVSPWTGTSA-N 2 0 214.740 1.844 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCOC1CCSCC1 ZINC000902521394 584631331 /nfs/dbraw/zinc/63/13/31/584631331.db2.gz RXUXKUPZUODSHN-QWRGUYRKSA-N 2 0 246.420 1.614 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1COC[C@@H]1C1CC1 ZINC000902521415 584631563 /nfs/dbraw/zinc/63/15/63/584631563.db2.gz SOJURVIYBDHFEG-QNWHQSFQSA-N 2 0 224.348 1.128 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2O)C1 ZINC000902522474 584632098 /nfs/dbraw/zinc/63/20/98/584632098.db2.gz XOZJKJCYQPGZNS-DDHJSBNISA-N 2 0 246.354 1.504 20 0 BDADRP C1CC1[C@H]1COC[C@@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000902522428 584632211 /nfs/dbraw/zinc/63/22/11/584632211.db2.gz WUXPDPGHYQTGTG-UPJWGTAASA-N 2 0 224.348 1.143 20 0 BDADRP C[NH+](C)CCOCC[NH2+]C1C[C@@H]2CCC[C@H]2C1 ZINC000902971184 584712445 /nfs/dbraw/zinc/71/24/45/584712445.db2.gz UICWWXSIFKDVAR-STQMWFEESA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H](O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903098916 584726760 /nfs/dbraw/zinc/72/67/60/584726760.db2.gz VIBAQUSRMGDMQT-WDFAYWTNSA-N 2 0 238.375 1.505 20 0 BDADRP C[C@@H](C[NH2+][C@H]1CCOC12CCCC2)C[NH+](C)C ZINC000903174728 584732478 /nfs/dbraw/zinc/73/24/78/584732478.db2.gz NBNIGLWPDBGMPS-STQMWFEESA-N 2 0 240.391 1.875 20 0 BDADRP CO[C@H]1CCC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000903195803 584734306 /nfs/dbraw/zinc/73/43/06/584734306.db2.gz ATCFSEUBDIQBCI-RNJOBUHISA-N 2 0 226.364 1.484 20 0 BDADRP CO[C@H]1CCC[C@@H]1[NH2+]CCN1CCC(C)(C)C1 ZINC000903346038 584753021 /nfs/dbraw/zinc/75/30/21/584753021.db2.gz ZTYAQKCCOSNXHS-STQMWFEESA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)CCC1CCOCC1 ZINC000903439373 584762757 /nfs/dbraw/zinc/76/27/57/584762757.db2.gz HLQQBVHFWFQNFF-OCCSQVGLSA-N 2 0 240.391 1.590 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCCCN1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903422093 584763702 /nfs/dbraw/zinc/76/37/02/584763702.db2.gz VWWMURGMUOZBDK-MROQNXINSA-N 2 0 225.380 1.044 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903425017 584764897 /nfs/dbraw/zinc/76/48/97/584764897.db2.gz ORIBUMJJWUTFKB-RNJOBUHISA-N 3 0 225.380 1.173 20 0 BDADRP CC[C@@H](C)[N@@H+](CC(=O)OC)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903457536 584764999 /nfs/dbraw/zinc/76/49/99/584764999.db2.gz WIYBPXFHELPBQC-UTUOFQBUSA-N 2 0 242.363 1.387 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCCO1 ZINC000903458855 584765783 /nfs/dbraw/zinc/76/57/83/584765783.db2.gz LSMRMNKMXTYUMZ-WHOHXGKFSA-N 2 0 212.337 1.271 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC(c3cn[nH]c3)CC2)C1 ZINC000903442468 584767558 /nfs/dbraw/zinc/76/75/58/584767558.db2.gz RNYHTHBVKVISLJ-SMDDNHRTSA-N 2 0 248.374 1.717 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(n2ccnc2)CC1 ZINC000903442681 584767887 /nfs/dbraw/zinc/76/78/87/584767887.db2.gz YDTBNTWWCJRMMY-OLZOCXBDSA-N 2 0 248.374 1.376 20 0 BDADRP C[C@H]1C[C@@H]([N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)CCN1C ZINC000903444250 584769767 /nfs/dbraw/zinc/76/97/67/584769767.db2.gz QYTHUZANOOOYMO-CRWXNKLISA-N 2 0 239.407 1.528 20 0 BDADRP CCCN(C[C@H]1CCC[NH2+]1)C1CC[NH2+]CC1 ZINC000903445683 584769856 /nfs/dbraw/zinc/76/98/56/584769856.db2.gz MVYWRZJKEWMQBA-GFCCVEGCSA-N 2 0 225.380 1.202 20 0 BDADRP C([C@H]1CCC[NH2+]1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000903446475 584770079 /nfs/dbraw/zinc/77/00/79/584770079.db2.gz XDHKLVHGPIKKBG-BFHYXJOUSA-N 2 0 237.391 1.202 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC3(C2)CC[NH2+]CC3)C1 ZINC000903447144 584770721 /nfs/dbraw/zinc/77/07/21/584770721.db2.gz GRWVPXZQOJVLNL-QWHCGFSZSA-N 3 0 237.391 1.189 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC3(CC[NH2+]C3)CC2)C1 ZINC000903452144 584771897 /nfs/dbraw/zinc/77/18/97/584771897.db2.gz HRSANWYMDFNGQR-QWHCGFSZSA-N 3 0 237.391 1.189 20 0 BDADRP OC[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000903454006 584772613 /nfs/dbraw/zinc/77/26/13/584772613.db2.gz RBGAMYWWZMUEJY-HNNXBMFYSA-N 2 0 246.354 1.289 20 0 BDADRP CC(C)OCCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903470220 584774656 /nfs/dbraw/zinc/77/46/56/584774656.db2.gz IGCBQVWQPVZDEE-LBPRGKRZSA-N 2 0 226.364 1.676 20 0 BDADRP C([NH2+][C@H]1CC[NH2+]C12CCC2)[C@H]1C[C@@]12CCOC2 ZINC000903470942 584775587 /nfs/dbraw/zinc/77/55/87/584775587.db2.gz DXZFKHZQLVTVFB-FRRDWIJNSA-N 2 0 236.359 1.287 20 0 BDADRP C[N@@H+]1CC[C@@H]2CN(C[C@@H]3CC[C@H]([NH3+])C3)CC[C@H]21 ZINC000903475819 584777049 /nfs/dbraw/zinc/77/70/49/584777049.db2.gz FADXWBLHPNWVPQ-YIYPIFLZSA-N 2 0 237.391 1.140 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN1CCCCC[C@H]([NH3+])C1 ZINC000903476911 584777631 /nfs/dbraw/zinc/77/76/31/584777631.db2.gz NLPBQUYCNOAYEL-AGIUHOORSA-N 2 0 225.380 1.045 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000903482545 584778479 /nfs/dbraw/zinc/77/84/79/584778479.db2.gz KLCYQMMWAJTSBF-DGTMBMJNSA-N 2 0 239.407 1.290 20 0 BDADRP C[C@@H]1CC[C@@H](CN)[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H]1C ZINC000903482374 584778480 /nfs/dbraw/zinc/77/84/80/584778480.db2.gz FOWDYOQHBSQKMC-BJJPWKGXSA-N 2 0 239.407 1.562 20 0 BDADRP CCO[C@@H](C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1)C1CC1 ZINC000903498469 584779755 /nfs/dbraw/zinc/77/97/55/584779755.db2.gz GSAZTZOIXDQNDU-BNOWGMLFSA-N 2 0 240.391 1.718 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)C[C@H]1CC[NH3+] ZINC000903498667 584780075 /nfs/dbraw/zinc/78/00/75/584780075.db2.gz AHYNYSQLXJJHBA-MGPQQGTHSA-N 3 0 239.407 1.293 20 0 BDADRP C[C@@H]1C[N@H+](CCCc2ccncc2)C[C@H]1CC[NH3+] ZINC000903500211 584780235 /nfs/dbraw/zinc/78/02/35/584780235.db2.gz WIMULGIGOSPOBI-UKRRQHHQSA-N 2 0 247.386 1.931 20 0 BDADRP CC1(C)CN(CCCC2CC[NH2+]CC2)C[C@H]1[NH3+] ZINC000903557049 584783269 /nfs/dbraw/zinc/78/32/69/584783269.db2.gz LIQIWYDYYQYZQQ-CYBMUJFWSA-N 2 0 239.407 1.435 20 0 BDADRP CC(C)[C@@](C)(C[NH3+])NC[C@H]1CCCC[NH2+]C1 ZINC000903717722 584792108 /nfs/dbraw/zinc/79/21/08/584792108.db2.gz UIEJOJGOZWRRAZ-QWHCGFSZSA-N 2 0 227.396 1.339 20 0 BDADRP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)[NH+]1CCCCCC1 ZINC000903717004 584792219 /nfs/dbraw/zinc/79/22/19/584792219.db2.gz GGHVRPLFQQLJEY-ZIAGYGMSSA-N 2 0 238.375 1.631 20 0 BDADRP [NH3+]C[C@@H]1CCCN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000903712855 584793507 /nfs/dbraw/zinc/79/35/07/584793507.db2.gz AHWURRCVQUOMIB-STQMWFEESA-N 2 0 225.380 1.047 20 0 BDADRP C[C@@H]1CC[C@H](C)[N@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903734384 584796160 /nfs/dbraw/zinc/79/61/60/584796160.db2.gz YSLOXZXBSJIHPV-XJFOESAGSA-N 2 0 238.375 1.628 20 0 BDADRP C[N@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C(C)(C)C ZINC000903763453 584797599 /nfs/dbraw/zinc/79/75/99/584797599.db2.gz KAHQFSZNWMAPRL-WCQYABFASA-N 2 0 226.364 1.485 20 0 BDADRP CCOC(=O)[C@@H]1C[C@H]1C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000903763516 584797622 /nfs/dbraw/zinc/79/76/22/584797622.db2.gz LHEOUAVSKJDLTF-IRCOFANPSA-N 2 0 240.347 1.045 20 0 BDADRP OCC[C@H]1CCCC[N@@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903768684 584797767 /nfs/dbraw/zinc/79/77/67/584797767.db2.gz PABONHHAMZYOOX-ZIAGYGMSSA-N 2 0 240.391 1.613 20 0 BDADRP CC12CC(C1)C[N@@H+]2C[C@@H]1CCCC[NH2+]C1 ZINC000903770344 584797774 /nfs/dbraw/zinc/79/77/74/584797774.db2.gz XBRXFZZWRAGZLS-PNESKVBLSA-N 2 0 208.349 1.860 20 0 BDADRP C(N[C@@H]1CC[NH2+]C12CCC2)[C@H]1CCCC[NH2+]C1 ZINC000903769848 584798313 /nfs/dbraw/zinc/79/83/13/584798313.db2.gz PMHUJNLLPXFATC-QWHCGFSZSA-N 2 0 237.391 1.250 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1NC[C@H]1CCCC[NH2+]C1 ZINC000903782443 584800339 /nfs/dbraw/zinc/80/03/39/584800339.db2.gz NDMFOHRVPNNNBP-QJPTWQEYSA-N 2 0 225.380 1.092 20 0 BDADRP [NH3+]CCCN1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903811200 584803741 /nfs/dbraw/zinc/80/37/41/584803741.db2.gz JPITZIDWSRUABV-LBPRGKRZSA-N 2 0 225.380 1.319 20 0 BDADRP C[C@@H]1CCOCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000903832905 584806128 /nfs/dbraw/zinc/80/61/28/584806128.db2.gz SQAVLGHHVLSWLP-GFCCVEGCSA-N 2 0 226.364 1.487 20 0 BDADRP NC[C@@]12CC[C@H]1CC[N@@H+]2CC1CC=CC1 ZINC000903856622 584809240 /nfs/dbraw/zinc/80/92/40/584809240.db2.gz AOJBSSJUPWXYKE-STQMWFEESA-N 2 0 206.333 1.766 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903859817 584811293 /nfs/dbraw/zinc/81/12/93/584811293.db2.gz OTVMNKJWJUVDKG-ZIAGYGMSSA-N 2 0 239.407 1.532 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903869958 584814314 /nfs/dbraw/zinc/81/43/14/584814314.db2.gz LCQMXGSLPKSMMY-RWMBFGLXSA-N 2 0 224.348 1.239 20 0 BDADRP O[C@H](CN1CCC[C@]12CC[NH2+]C2)c1ccccc1 ZINC000903871430 584815296 /nfs/dbraw/zinc/81/52/96/584815296.db2.gz UKPSHAGEXOHHRC-HUUCEWRRSA-N 2 0 246.354 1.548 20 0 BDADRP C[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC[NH2+]CC1 ZINC000903873073 584815524 /nfs/dbraw/zinc/81/55/24/584815524.db2.gz FHNSCTBQRWMNGL-YHWZYXNKSA-N 3 0 237.391 1.201 20 0 BDADRP CCC[N@H+](CCO)Cc1cccc2c1CC[NH2+]C2 ZINC000903877784 584816449 /nfs/dbraw/zinc/81/64/49/584816449.db2.gz QBUQLNMGLZEGRF-UHFFFAOYSA-N 2 0 248.370 1.537 20 0 BDADRP CCC(CC)(CO)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903897805 584819852 /nfs/dbraw/zinc/81/98/52/584819852.db2.gz GSXRPEZLNVRRPQ-YHWZYXNKSA-N 2 0 240.391 1.658 20 0 BDADRP C[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC1(CO)CC1 ZINC000903904098 584820957 /nfs/dbraw/zinc/82/09/57/584820957.db2.gz PFBGRBFFTTZQFQ-YHWZYXNKSA-N 2 0 238.375 1.221 20 0 BDADRP C[N@@H+](Cc1cc[nH]n1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903904396 584820998 /nfs/dbraw/zinc/82/09/98/584820998.db2.gz UEZAQACRHVVZKI-YOGCLGLASA-N 2 0 234.347 1.372 20 0 BDADRP C(C[C@@H]1CC[NH2+]C1)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918448 584822395 /nfs/dbraw/zinc/82/23/95/584822395.db2.gz ZPQUYZDQPROSMX-FUDCBSFHSA-N 3 0 237.391 1.106 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903920282 584822979 /nfs/dbraw/zinc/82/29/79/584822979.db2.gz RYDCLWURZIILAF-LLVKDONJSA-N 3 0 233.359 1.017 20 0 BDADRP C[NH2+]Cc1ccc(NC[C@@H]([NH3+])CC(F)F)cc1 ZINC000903919000 584823282 /nfs/dbraw/zinc/82/32/82/584823282.db2.gz KFQCBQSABNYPRZ-JTQLQIEISA-N 2 0 243.301 1.800 20 0 BDADRP C[NH2+]CCC[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903929776 584824311 /nfs/dbraw/zinc/82/43/11/584824311.db2.gz LHKAIRDPLVGDQL-YHWZYXNKSA-N 3 0 225.380 1.058 20 0 BDADRP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000903930071 584824599 /nfs/dbraw/zinc/82/45/99/584824599.db2.gz RFEHMBKFGDDNJM-JALIKCBVSA-N 3 0 249.402 1.345 20 0 BDADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903931996 584824760 /nfs/dbraw/zinc/82/47/60/584824760.db2.gz KXAUTRANNGGSIF-KZWUZSNJSA-N 2 0 237.391 1.329 20 0 BDADRP CN(CC[NH+]1CCCCC1)C[C@H]([NH3+])CC(F)F ZINC000903932144 584824845 /nfs/dbraw/zinc/82/48/45/584824845.db2.gz NBLIOHXDBREQCO-LLVKDONJSA-N 2 0 249.349 1.387 20 0 BDADRP COCC1([NH2+]C[C@H]([NH3+])CC(F)F)CCCC1 ZINC000903934023 584824893 /nfs/dbraw/zinc/82/48/93/584824893.db2.gz YYXVCZPLHNITKZ-SECBINFHSA-N 2 0 236.306 1.518 20 0 BDADRP C[C@H]1CC[C@@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CN1 ZINC000903934418 584825686 /nfs/dbraw/zinc/82/56/86/584825686.db2.gz GUPQGTSLGDGGEW-APYLGABCSA-N 2 0 237.391 1.247 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CN1 ZINC000903934419 584825750 /nfs/dbraw/zinc/82/57/50/584825750.db2.gz GUPQGTSLGDGGEW-JWURUJNWSA-N 2 0 237.391 1.247 20 0 BDADRP C([NH2+][C@@]12CCC[C@@H]1[NH2+]CC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903937135 584826100 /nfs/dbraw/zinc/82/61/00/584826100.db2.gz BYAHIAWSJNVMRW-OLMTUDMXSA-N 3 0 249.402 1.391 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+]CCC(C)(C)[NH3+])CCO1 ZINC000903938712 584826269 /nfs/dbraw/zinc/82/62/69/584826269.db2.gz IBBKDROAULCRSO-NEPJUHHUSA-N 2 0 228.380 1.907 20 0 BDADRP CCCC[C@@H](C[NH3+])NC[C@@H]([NH3+])CC(F)F ZINC000903918205 584827327 /nfs/dbraw/zinc/82/73/27/584827327.db2.gz UZVCSEYFHYSDNH-IUCAKERBSA-N 2 0 223.311 1.076 20 0 BDADRP CC(C)(C)[NH2+]CCNC[C@H]1C[NH2+]CCC1(F)F ZINC000903958406 584827615 /nfs/dbraw/zinc/82/76/15/584827615.db2.gz ZLEUEXGORTXSLF-SNVBAGLBSA-N 2 0 249.349 1.209 20 0 BDADRP CC[C@H](COC)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903956969 584827859 /nfs/dbraw/zinc/82/78/59/584827859.db2.gz ODGHAWZTDVTJBC-VHSXEESVSA-N 2 0 236.306 1.246 20 0 BDADRP Cn1ccc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000903960036 584827901 /nfs/dbraw/zinc/82/79/01/584827901.db2.gz VMTNCQKIRVBKQZ-HNNXBMFYSA-N 2 0 247.386 1.991 20 0 BDADRP C[C@H](CC1CCOCC1)[NH2+]CCC(C)(C)[NH3+] ZINC000903939799 584828720 /nfs/dbraw/zinc/82/87/20/584828720.db2.gz MTTKWSPNQCRGSG-LLVKDONJSA-N 2 0 228.380 1.909 20 0 BDADRP COC(=O)C(C)(C)CC[NH2+]CCC(C)(C)[NH3+] ZINC000903940098 584829082 /nfs/dbraw/zinc/82/90/82/584829082.db2.gz WMDIMPGJORFLEV-UHFFFAOYSA-N 2 0 230.352 1.293 20 0 BDADRP COC[C@H](C)C[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903956683 584831838 /nfs/dbraw/zinc/83/18/38/584831838.db2.gz MXBBYGCHXSCYSW-NXEZZACHSA-N 2 0 236.306 1.103 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000903954760 584832003 /nfs/dbraw/zinc/83/20/03/584832003.db2.gz UXBGPWINTHLWGE-LOWDOPEQSA-N 2 0 226.364 1.063 20 0 BDADRP COC1CCC([NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903974173 584832516 /nfs/dbraw/zinc/83/25/16/584832516.db2.gz KVIZPXYMQSZHRP-IWMBGFJWSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903979019 584833130 /nfs/dbraw/zinc/83/31/30/584833130.db2.gz RZIAADFTDCUTET-XJFOESAGSA-N 3 0 239.407 1.352 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000903978852 584833135 /nfs/dbraw/zinc/83/31/35/584833135.db2.gz NGXHFSDPZLNEIY-FVCCEPFGSA-N 3 0 225.380 1.092 20 0 BDADRP Cc1ncccc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903965140 584834571 /nfs/dbraw/zinc/83/45/71/584834571.db2.gz XHKGMCDPJSOLAJ-MFKMUULPSA-N 2 0 219.332 1.335 20 0 BDADRP C[NH2+]C[C@H]1CCCN(C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904299305 584860379 /nfs/dbraw/zinc/86/03/79/584860379.db2.gz AMGINFSYAFCVQT-ZIAGYGMSSA-N 2 0 239.407 1.308 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CN1CCC[C@H]([NH3+])C1 ZINC000904299567 584860582 /nfs/dbraw/zinc/86/05/82/584860582.db2.gz IACJLHKTWQLZNU-RYUDHWBXSA-N 2 0 227.396 1.563 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000904299763 584860677 /nfs/dbraw/zinc/86/06/77/584860677.db2.gz NSZHCTZACSXAQW-OCCSQVGLSA-N 3 0 239.407 1.435 20 0 BDADRP C[NH2+]CC1CC[NH+](C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904299563 584860780 /nfs/dbraw/zinc/86/07/80/584860780.db2.gz HYQOKWYLNFVUCY-CQSZACIVSA-N 3 0 239.407 1.308 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccc(C[NH3+])cc2)CC[C@H]1[NH3+] ZINC000904300200 584861045 /nfs/dbraw/zinc/86/10/45/584861045.db2.gz YRFITZKYCKYYMQ-SMDDNHRTSA-N 3 0 233.359 1.314 20 0 BDADRP CC(C)[C@H]([NH3+])CCN(C)C[C@]1(C)CCC[NH2+]C1 ZINC000904301341 584861330 /nfs/dbraw/zinc/86/13/30/584861330.db2.gz KPDKIGGLMMSDBG-ZIAGYGMSSA-N 2 0 241.423 1.681 20 0 BDADRP C[C@]1(CN2CCC[C@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000904300124 584861381 /nfs/dbraw/zinc/86/13/81/584861381.db2.gz WRJSPMVSOKSAIN-OLZOCXBDSA-N 2 0 225.380 1.047 20 0 BDADRP C[N@H+](Cc1ccc(C[NH3+])cc1)C1CCC([NH3+])CC1 ZINC000904300989 584861396 /nfs/dbraw/zinc/86/13/96/584861396.db2.gz DOIRNTXNOJPZTD-UHFFFAOYSA-N 3 0 247.386 1.847 20 0 BDADRP CCCCC[N@H+](CCO)C[C@]1(C)CCC[NH2+]C1 ZINC000904307077 584861757 /nfs/dbraw/zinc/86/17/57/584861757.db2.gz KCHZTUKAJROQFC-CQSZACIVSA-N 2 0 242.407 1.861 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCNCC23CCCCC3)C1 ZINC000904302426 584861774 /nfs/dbraw/zinc/86/17/74/584861774.db2.gz VZCHQKJQUSVWIY-BETUJISGSA-N 3 0 237.391 1.332 20 0 BDADRP C[C@]1(C[NH+]2CCC(CO)CC2)CCC[NH2+]C1 ZINC000904306694 584861853 /nfs/dbraw/zinc/86/18/53/584861853.db2.gz CYSFISOCADANRR-ZDUSSCGKSA-N 2 0 226.364 1.080 20 0 BDADRP [NH3+]CCN(Cc1ccccc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904302800 584862092 /nfs/dbraw/zinc/86/20/92/584862092.db2.gz YUHICZQLULGEMZ-OKILXGFUSA-N 2 0 233.359 1.185 20 0 BDADRP CC[NH+]1CCN(C[C@@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904302881 584862145 /nfs/dbraw/zinc/86/21/45/584862145.db2.gz YHRFHHBRUZZTED-ZDUSSCGKSA-N 2 0 241.423 1.778 20 0 BDADRP CC(C)[NH2+]C1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904315943 584862348 /nfs/dbraw/zinc/86/23/48/584862348.db2.gz GQQIJJBYYWNXSU-TXEJJXNPSA-N 3 0 225.380 1.186 20 0 BDADRP CCO[C@H]1C[C@H]([N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C1(C)C ZINC000904322628 584864713 /nfs/dbraw/zinc/86/47/13/584864713.db2.gz FVVVYMBZSRIPAB-RNJOBUHISA-N 2 0 240.391 1.859 20 0 BDADRP Cn1cc(C[C@@H]2CC[N@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)cn1 ZINC000904326353 584865229 /nfs/dbraw/zinc/86/52/29/584865229.db2.gz HLIJQCLOTUKSIP-SGMGOOAPSA-N 2 0 248.374 1.022 20 0 BDADRP C[C@H](O)[C@H]1CCC[N@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904328240 584865239 /nfs/dbraw/zinc/86/52/39/584865239.db2.gz BSFIKTOZJSTUDJ-MELADBBJSA-N 2 0 240.391 1.469 20 0 BDADRP CC[C@@](C)(CC(=O)OC)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904332540 584866183 /nfs/dbraw/zinc/86/61/83/584866183.db2.gz RDTBUHRTQOWEGS-UMNHJUIQSA-N 2 0 228.336 1.045 20 0 BDADRP N[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1c1ccccc1 ZINC000904334297 584866340 /nfs/dbraw/zinc/86/63/40/584866340.db2.gz RSKOKJNZORFMIG-PMOUVXMZSA-N 2 0 245.370 1.150 20 0 BDADRP C[C@]1(C[N@@H+]2CCC[C@H](CC[NH3+])C2)CCC[NH2+]C1 ZINC000904334435 584866457 /nfs/dbraw/zinc/86/64/57/584866457.db2.gz WBDWGZHTTCGEIF-KGLIPLIRSA-N 3 0 239.407 1.437 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CN1CCCOCC1 ZINC000904336005 584866575 /nfs/dbraw/zinc/86/65/75/584866575.db2.gz LJHBBWUSXABXBE-GFCCVEGCSA-N 2 0 228.380 1.862 20 0 BDADRP C[C@H](O)CN(C)C[C@H]([NH3+])CCC(C)(C)C ZINC000904335601 584866889 /nfs/dbraw/zinc/86/68/89/584866889.db2.gz GUVVMJINBJSBOC-WDEREUQCSA-N 2 0 216.369 1.453 20 0 BDADRP C[C@@]1(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)CCC[NH2+]C1 ZINC000904334436 584866920 /nfs/dbraw/zinc/86/69/20/584866920.db2.gz WBDWGZHTTCGEIF-UONOGXRCSA-N 3 0 239.407 1.437 20 0 BDADRP Cc1ccncc1C[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904341969 584867460 /nfs/dbraw/zinc/86/74/60/584867460.db2.gz SMONMZPLKSFWGT-BJHJDKERSA-N 2 0 219.332 1.559 20 0 BDADRP C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904343292 584867951 /nfs/dbraw/zinc/86/79/51/584867951.db2.gz SGMGBUMQYNNNIC-KVSVUVNWSA-N 2 0 226.364 1.205 20 0 BDADRP Cn1ccnc1[C@@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904345171 584868001 /nfs/dbraw/zinc/86/80/01/584868001.db2.gz DVPWAGILHMKISH-UPJWGTAASA-N 2 0 248.374 1.337 20 0 BDADRP CC(C)(C)[C@@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1O ZINC000904345274 584868462 /nfs/dbraw/zinc/86/84/62/584868462.db2.gz BXLGNHCSDRRPFW-YVECIDJPSA-N 2 0 240.391 1.453 20 0 BDADRP C[C@]1(CN2CC[C@]3(CC[NH2+]C3)C2)CCC[NH2+]C1 ZINC000904351177 584869379 /nfs/dbraw/zinc/86/93/79/584869379.db2.gz VUXZOOKJBLVNON-KBPBESRZSA-N 2 0 237.391 1.062 20 0 BDADRP c1cn(C2CC2)c(CNC[C@H]2CCC[NH2+]2)n1 ZINC000904352979 584870071 /nfs/dbraw/zinc/87/00/71/584870071.db2.gz FHKILKMGFPGZPT-SNVBAGLBSA-N 2 0 220.320 1.060 20 0 BDADRP CC[C@H]([NH3+])CNC[C@H]([NH3+])CCC(C)(C)C ZINC000904355058 584870918 /nfs/dbraw/zinc/87/09/18/584870918.db2.gz MIDQFPVDYXHOSQ-WDEREUQCSA-N 2 0 215.385 1.467 20 0 BDADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904355949 584871405 /nfs/dbraw/zinc/87/14/05/584871405.db2.gz YJXQGOFJGBSEHJ-ROTMJFINSA-N 3 0 225.380 1.078 20 0 BDADRP C[C@@H]1C[C@@H](NC[C@H]([NH3+])CCC(C)(C)C)CC[NH2+]1 ZINC000904355580 584871453 /nfs/dbraw/zinc/87/14/53/584871453.db2.gz PGJOLVOVAWHGRS-UPJWGTAASA-N 2 0 241.423 1.870 20 0 BDADRP CC[C@H]([NH2+]C1CC(C[NH3+])C1)[C@H]1CCCO1 ZINC000904362056 584871965 /nfs/dbraw/zinc/87/19/65/584871965.db2.gz GWUCMKKJPFJMFT-MMVSWEMESA-N 2 0 212.337 1.271 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2COc3ccccc3C2)C1 ZINC000904361929 584871974 /nfs/dbraw/zinc/87/19/74/584871974.db2.gz CIUHUYSWJRINIR-UHTWSYAYSA-N 2 0 232.327 1.317 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)C1 ZINC000904361267 584872094 /nfs/dbraw/zinc/87/20/94/584872094.db2.gz ZKYGUFKSAZTWMN-OFTGVCEQSA-N 2 0 224.348 1.271 20 0 BDADRP COc1ccc(CC[NH2+]C2CC(C[NH3+])C2)cc1 ZINC000904362214 584872177 /nfs/dbraw/zinc/87/21/77/584872177.db2.gz IQHMXHNHZAUIOL-UHFFFAOYSA-N 2 0 234.343 1.565 20 0 BDADRP C[C@H]1CN(C[C@H]2C[C@@H]([NH3+])C2)c2ccccc2C[NH2+]1 ZINC000904358728 584872320 /nfs/dbraw/zinc/87/23/20/584872320.db2.gz RTDGROVWNAXWRQ-SGMGOOAPSA-N 2 0 245.370 1.722 20 0 BDADRP [NH3+]CCC[C@@H]([NH2+]C1CC(C[NH3+])C1)c1ccccc1 ZINC000904358620 584872362 /nfs/dbraw/zinc/87/23/62/584872362.db2.gz QJHOVZXMADVBNE-PESDSKBTSA-N 3 0 247.386 1.794 20 0 BDADRP CC1(C)CN(Cc2ccc(C[NH3+])cc2)CC[NH2+]1 ZINC000904358086 584872363 /nfs/dbraw/zinc/87/23/63/584872363.db2.gz HJDXALXWHIHQHJ-UHFFFAOYSA-N 2 0 233.359 1.329 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)C1 ZINC000904358713 584872369 /nfs/dbraw/zinc/87/23/69/584872369.db2.gz ROBZAOMWFHWDME-MQYQWHSLSA-N 3 0 237.391 1.188 20 0 BDADRP COc1cc(CC[NH2+]C2CC(C[NH3+])C2)ccc1C ZINC000904367211 584872766 /nfs/dbraw/zinc/87/27/66/584872766.db2.gz WPJSMWFKPPZYQH-UHFFFAOYSA-N 2 0 248.370 1.873 20 0 BDADRP [NH3+]Cc1ccc(CN[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000904373586 584873804 /nfs/dbraw/zinc/87/38/04/584873804.db2.gz FWXDQWLWZAOYJF-ZIAGYGMSSA-N 2 0 233.359 1.505 20 0 BDADRP CC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCCO1 ZINC000904362974 584874479 /nfs/dbraw/zinc/87/44/79/584874479.db2.gz VOICOMMXLVDURM-WRWGMCAJSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CCN1C[C@@H]([NH3+])CCC(C)(C)C ZINC000904375850 584875193 /nfs/dbraw/zinc/87/51/93/584875193.db2.gz HWYKBXPVIATTFO-AGIUHOORSA-N 2 0 241.423 1.952 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CNC[C@@H]([NH3+])CCC(C)(C)C ZINC000904389498 584875488 /nfs/dbraw/zinc/87/54/88/584875488.db2.gz ZWXMKLYZTLRHDZ-AGIUHOORSA-N 2 0 241.423 1.585 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@@]3(CC3(F)F)C2)C1 ZINC000904375461 584875676 /nfs/dbraw/zinc/87/56/76/584875676.db2.gz ARROUIZTBJLTOK-KXUCPTDWSA-N 2 0 216.275 1.455 20 0 BDADRP C[C@@H]([NH3+])CN(C)C[C@H]([NH3+])CCC(C)(C)C ZINC000904380833 584876659 /nfs/dbraw/zinc/87/66/59/584876659.db2.gz HWRGIFCEVOPSKJ-GHMZBOCLSA-N 2 0 215.385 1.419 20 0 BDADRP C[NH2+]C[C@@H](C)NC[C@@H]([NH3+])CCC(C)(C)C ZINC000904379984 584876826 /nfs/dbraw/zinc/87/68/26/584876826.db2.gz YUYMBUKLOPFXFA-MNOVXSKESA-N 2 0 215.385 1.338 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CCCn3nccc32)C1 ZINC000904384844 584877359 /nfs/dbraw/zinc/87/73/59/584877359.db2.gz NTUUIVFKGICVQL-AXFHLTTASA-N 2 0 220.320 1.045 20 0 BDADRP Nc1ccc2c(c1)C[N@H+](C1CC(C[NH3+])C1)CCO2 ZINC000904385695 584877632 /nfs/dbraw/zinc/87/76/32/584877632.db2.gz BTNARFGOXPLCBW-UHFFFAOYSA-N 2 0 247.342 1.201 20 0 BDADRP CC[C@@H]1C[C@@H](C[N@@H+]2CC[C@H](CC[NH3+])C2)CCO1 ZINC000904406709 584878340 /nfs/dbraw/zinc/87/83/40/584878340.db2.gz UVQAVZKYCACSIF-MELADBBJSA-N 2 0 240.391 1.862 20 0 BDADRP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000904407111 584878926 /nfs/dbraw/zinc/87/89/26/584878926.db2.gz NJGQMKMVVWFLDN-RYUDHWBXSA-N 3 0 213.369 1.031 20 0 BDADRP Cc1noc(C)c1C[N@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000842471556 584897662 /nfs/dbraw/zinc/89/76/62/584897662.db2.gz ISJZWZVIHGLQND-GFCCVEGCSA-N 2 0 237.347 1.723 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CCCCCC[NH3+] ZINC000834642837 584914344 /nfs/dbraw/zinc/91/43/44/584914344.db2.gz TZIPUSQAWNQDBG-VXGBXAGGSA-N 2 0 241.379 1.010 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2CC[C@H](OC)C2)C1 ZINC000821386128 585016173 /nfs/dbraw/zinc/01/61/73/585016173.db2.gz IWWLWPDNHFTZCL-IHRRRGAJSA-N 2 0 240.391 1.828 20 0 BDADRP CCOC(=O)CC(C)(C)C[NH2+]CCC[NH+](C)C ZINC000838893552 585078980 /nfs/dbraw/zinc/07/89/80/585078980.db2.gz XHJCISLAXQPERS-UHFFFAOYSA-N 2 0 244.379 1.507 20 0 BDADRP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@@H](O)C3CC3)C2)C1 ZINC000839026054 585088030 /nfs/dbraw/zinc/08/80/30/585088030.db2.gz RNXXNXFRSPEMBB-ZIAGYGMSSA-N 2 0 238.375 1.175 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H]2C[C@]23CCOC3)C1 ZINC000886830618 585180818 /nfs/dbraw/zinc/18/08/18/585180818.db2.gz VEBGOQKZNVYOEL-CRWXNKLISA-N 2 0 238.375 1.472 20 0 BDADRP CC[N@H+](C)C[C@H]1CCN(c2cc(C)[nH+]c(N)n2)C1 ZINC000749146064 585199987 /nfs/dbraw/zinc/19/99/87/585199987.db2.gz CVPMSDDUGXHPQQ-LLVKDONJSA-N 2 0 249.362 1.145 20 0 BDADRP C[C@H](CCO)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000753767874 585268503 /nfs/dbraw/zinc/26/85/03/585268503.db2.gz GGYIOUJCQMVNIP-CHWSQXEVSA-N 2 0 228.380 1.611 20 0 BDADRP FCC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000759332726 585368210 /nfs/dbraw/zinc/36/82/10/585368210.db2.gz OFFBPPFGWNOYJJ-UHFFFAOYSA-N 2 0 244.354 1.390 20 0 BDADRP C[C@@H]1C[C@H](N(C)CC[NH+]2CCCC2)CC[N@@H+]1C ZINC000760842861 585399041 /nfs/dbraw/zinc/39/90/41/585399041.db2.gz KTCZTQBGVMOYCD-ZIAGYGMSSA-N 2 0 239.407 1.497 20 0 BDADRP CC[N@@H+]1C[C@@H](C)N(CC[NH+]2CCCC2)C[C@H]1C ZINC000766254403 585499423 /nfs/dbraw/zinc/49/94/23/585499423.db2.gz QAAQCXOZTDBHST-ZIAGYGMSSA-N 2 0 239.407 1.497 20 0 BDADRP C[C@H]1CCC[N@@H+]1CCN[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000766271877 585500366 /nfs/dbraw/zinc/50/03/66/585500366.db2.gz GTDXRIDGWBNNEH-MJBXVCDLSA-N 2 0 239.407 1.543 20 0 BDADRP CC(C)C([NH2+]C[C@H](O)C[NH+]1CCCC1)C(C)C ZINC000776028774 585689441 /nfs/dbraw/zinc/68/94/41/585689441.db2.gz WRADVVUQTPIEKJ-ZDUSSCGKSA-N 2 0 242.407 1.713 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)CCO ZINC000779337616 585751517 /nfs/dbraw/zinc/75/15/17/585751517.db2.gz AEOXVEWNKMMYDM-QWHCGFSZSA-N 2 0 230.396 1.857 20 0 BDADRP CC[C@H](C)[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000783646604 585839266 /nfs/dbraw/zinc/83/92/66/585839266.db2.gz DYDSMIOERCFAGY-AWEZNQCLSA-N 2 0 239.407 1.498 20 0 BDADRP COCC[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000788327074 585921978 /nfs/dbraw/zinc/92/19/78/585921978.db2.gz LDGJLYIRNDJBSE-GFCCVEGCSA-N 2 0 235.331 1.239 20 0 BDADRP CC(=O)OC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000798181765 586138615 /nfs/dbraw/zinc/13/86/15/586138615.db2.gz YHTWJCAQFJBMBJ-ZYHUDNBSSA-N 2 0 240.347 1.012 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H](C)COC(C)=O)CC1 ZINC000798180079 586138620 /nfs/dbraw/zinc/13/86/20/586138620.db2.gz YMVSENXIJXMDLW-LLVKDONJSA-N 2 0 242.363 1.402 20 0 BDADRP Cc1ncccc1C[NH2+]CCCCCC[NH3+] ZINC000843127414 586413371 /nfs/dbraw/zinc/41/33/71/586413371.db2.gz OZXARKYBOISTQY-UHFFFAOYSA-N 2 0 221.348 1.999 20 0 BDADRP CC[C@H](C(=O)N[C@H](C[NH+](C)C)C(C)C)[NH+](C)C ZINC000840344940 586815250 /nfs/dbraw/zinc/81/52/50/586815250.db2.gz MWPATCXORKBGRV-VXGBXAGGSA-N 2 0 243.395 1.029 20 0 BDADRP c1ccc2c(c1)C[C@@H](C[NH2+]C1CC[NH2+]CC1)CO2 ZINC000817892636 586833051 /nfs/dbraw/zinc/83/30/51/586833051.db2.gz VTDCKOGZGZXMEU-LBPRGKRZSA-N 2 0 246.354 1.579 20 0 BDADRP CCc1cc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])[nH]n1 ZINC000817893771 586833670 /nfs/dbraw/zinc/83/36/70/586833670.db2.gz VMWFPFLUSFWZLN-MFKMUULPSA-N 2 0 236.363 1.579 20 0 BDADRP CCCCCC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000817893233 586833717 /nfs/dbraw/zinc/83/37/17/586833717.db2.gz CZJQTYLBJVVSLX-RWMBFGLXSA-N 2 0 228.380 1.909 20 0 BDADRP CS[C@@H]1CC[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])C1 ZINC000817898066 586834828 /nfs/dbraw/zinc/83/48/28/586834828.db2.gz ZFGCFWMVZBDKMA-XWLWVQCSSA-N 2 0 216.394 1.986 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CSCCS1 ZINC000817897800 586835012 /nfs/dbraw/zinc/83/50/12/586835012.db2.gz BCKRLOSKGYZCIX-GUBZILKMSA-N 2 0 234.434 1.550 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCNc1ccccc1 ZINC000817901476 586836207 /nfs/dbraw/zinc/83/62/07/586836207.db2.gz WJSJJCPPFBXZBD-OLZOCXBDSA-N 2 0 219.332 1.568 20 0 BDADRP CC(C)C[C@H](O)C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000817904125 586837541 /nfs/dbraw/zinc/83/75/41/586837541.db2.gz UZBGNCXUQDINIC-RWMBFGLXSA-N 2 0 228.380 1.371 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@](C)(O)c1cccs1 ZINC000817911452 586838611 /nfs/dbraw/zinc/83/86/11/586838611.db2.gz AQSAXXHTWJWXEY-HOSYDEDBSA-N 2 0 242.388 1.671 20 0 BDADRP C[C@@H](NCC[N@@H+]1CCC[C@@H]1C)[C@H]1CCCC[NH2+]1 ZINC000817912781 586838657 /nfs/dbraw/zinc/83/86/57/586838657.db2.gz IONVZQXFYKGTBY-BFHYXJOUSA-N 2 0 239.407 1.591 20 0 BDADRP Cc1ncc(CC[NH2+][C@H]2CCC[C@@H]2C[NH3+])s1 ZINC000817916401 586838816 /nfs/dbraw/zinc/83/88/16/586838816.db2.gz XYLKDCZSWSOQBU-PWSUYJOCSA-N 2 0 239.388 1.711 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@](C)(O)c1ccsc1 ZINC000817913933 586839106 /nfs/dbraw/zinc/83/91/06/586839106.db2.gz RLZLJWQBOZDVDG-NHCYSSNCSA-N 2 0 242.388 1.671 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C)Cc1ccco1 ZINC000817913852 586839168 /nfs/dbraw/zinc/83/91/68/586839168.db2.gz NGIDLANOKYUCIU-AXFHLTTASA-N 2 0 210.321 1.926 20 0 BDADRP C[C@@H](NCC[N@@H+]1CCC[C@H]1C)c1c[nH+]ccc1N ZINC000817913308 586839228 /nfs/dbraw/zinc/83/92/28/586839228.db2.gz NLNWRHMZOAMETA-VXGBXAGGSA-N 2 0 248.374 1.629 20 0 BDADRP Cc1ncc(CC[NH2+][C@H]2CCC[C@H]2C[NH3+])s1 ZINC000817916397 586839309 /nfs/dbraw/zinc/83/93/09/586839309.db2.gz XYLKDCZSWSOQBU-JQWIXIFHSA-N 2 0 239.388 1.711 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CCN1CCC[C@H]1C ZINC000817913672 586839416 /nfs/dbraw/zinc/83/94/16/586839416.db2.gz QFMWJCNHWMFTQX-QWHCGFSZSA-N 2 0 227.396 1.578 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCCCCCO ZINC000817919812 586840508 /nfs/dbraw/zinc/84/05/08/586840508.db2.gz YWAWXJUAWHRGMG-CHWSQXEVSA-N 2 0 228.380 1.789 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@H](CCO)Cc1ccccc1 ZINC000817928773 586841966 /nfs/dbraw/zinc/84/19/66/586841966.db2.gz AKGPHPYGDIYURG-KFWWJZLASA-N 2 0 248.370 1.450 20 0 BDADRP [NH3+]CCc1ccc(CN[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000817947612 586847070 /nfs/dbraw/zinc/84/70/70/586847070.db2.gz CBDDFVNZRLWXOC-ZIAGYGMSSA-N 2 0 233.359 1.157 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817948158 586847089 /nfs/dbraw/zinc/84/70/89/586847089.db2.gz FOXUWAPVMIXJRY-CYBMUJFWSA-N 3 0 249.402 1.795 20 0 BDADRP C[C@H]1CC[NH2+]C[C@@H]1NCc1ccc(CC[NH3+])cc1 ZINC000817948177 586847279 /nfs/dbraw/zinc/84/72/79/586847279.db2.gz FWGLAOFPBODLAZ-WFASDCNBSA-N 2 0 247.386 1.275 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCCc3n[nH]cc32)C1 ZINC000817970021 586856207 /nfs/dbraw/zinc/85/62/07/586856207.db2.gz JNWAIHLIPFLACX-JFGNBEQYSA-N 2 0 234.347 1.647 20 0 BDADRP CC(C)[C@@H]([NH2+]Cc1cnc[nH]1)[C@@H](CO)C(C)C ZINC000831663194 587626530 /nfs/dbraw/zinc/62/65/30/587626530.db2.gz DYJWYOKCIAEMNA-QWHCGFSZSA-N 2 0 239.363 1.788 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CCCCC[NH3+])C1 ZINC000832750108 587683767 /nfs/dbraw/zinc/68/37/67/587683767.db2.gz JOGIDIXAWUXAAF-NWDGAFQWSA-N 2 0 241.379 1.091 20 0 BDADRP C[C@@H](CCCC[NH3+])NC(=O)c1cccc(C[NH3+])c1 ZINC000834785491 587767027 /nfs/dbraw/zinc/76/70/27/587767027.db2.gz CPKWZVKUIPOSMA-NSHDSACASA-N 2 0 249.358 1.393 20 0 BDADRP [NH3+]CCc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000841032964 587937201 /nfs/dbraw/zinc/93/72/01/587937201.db2.gz HYURHMPHWYWUJL-HNNXBMFYSA-N 3 0 247.386 1.420 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000841042648 587938683 /nfs/dbraw/zinc/93/86/83/587938683.db2.gz OMNAUTFPNWHXCB-MXWKQRLJSA-N 2 0 246.445 1.565 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)c1cccc(C[NH3+])c1 ZINC000841848425 587977391 /nfs/dbraw/zinc/97/73/91/587977391.db2.gz KVOWYQQPLFPFKQ-CYBMUJFWSA-N 2 0 249.358 1.393 20 0 BDADRP CC[C@@H]([NH3+])C(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000841848562 587977890 /nfs/dbraw/zinc/97/78/90/587977890.db2.gz MHHGTXULQMRMPT-GFCCVEGCSA-N 2 0 247.342 1.162 20 0 BDADRP CC1(C)C[NH2+]CCN1C(=O)CCCCCC[NH3+] ZINC000841848799 587978008 /nfs/dbraw/zinc/97/80/08/587978008.db2.gz DCPVSBZSIGUEJW-UHFFFAOYSA-N 2 0 241.379 1.106 20 0 BDADRP CN(C(=O)CCCCCC[NH3+])C1(C[NH3+])CCC1 ZINC000841852117 587978332 /nfs/dbraw/zinc/97/83/32/587978332.db2.gz DXSULYMKCAQVLM-UHFFFAOYSA-N 2 0 241.379 1.235 20 0 BDADRP CNC(=O)[C@@H]1CCC[N@@H+]1CCCCCCC[NH3+] ZINC000842471854 588029234 /nfs/dbraw/zinc/02/92/34/588029234.db2.gz DDVMOHRCCOPJOA-LBPRGKRZSA-N 2 0 241.379 1.106 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCCCCCC[NH3+] ZINC000842475939 588029600 /nfs/dbraw/zinc/02/96/00/588029600.db2.gz YFKFKKYXZVJOAL-ZDUSSCGKSA-N 3 0 241.423 1.873 20 0 BDADRP [NH3+]CCCCCCCN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842477324 588029604 /nfs/dbraw/zinc/02/96/04/588029604.db2.gz PJTIHKYKRYFQAM-AWEZNQCLSA-N 2 0 239.407 1.724 20 0 BDADRP C[C@H](NC1CC1)c1nc([C@H]2CCC[NH2+]2)no1 ZINC000842644116 588047975 /nfs/dbraw/zinc/04/79/75/588047975.db2.gz QNSOLYMHRKGEOU-IONNQARKSA-N 2 0 222.292 1.307 20 0 BDADRP C[C@H]1C[C@H](C[N@H+](C)C2CCC([NH3+])CC2)CC[NH2+]1 ZINC000843054832 588077792 /nfs/dbraw/zinc/07/77/92/588077792.db2.gz JSMRNBFNQBJVLZ-MRFVTOPCSA-N 3 0 239.407 1.576 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+]C2CCC([NH3+])CC2)CC[NH2+]1 ZINC000843105749 588081479 /nfs/dbraw/zinc/08/14/79/588081479.db2.gz ZZZFKRKEFBNAOJ-OKZRHMCRSA-N 3 0 225.380 1.234 20 0 BDADRP C[C@@H]1C[C@H](NC[C@@]2(C)CCC[NH2+]C2)CC[NH2+]1 ZINC000843126181 588082125 /nfs/dbraw/zinc/08/21/25/588082125.db2.gz NVKPLBNDMRXQGQ-UPJWGTAASA-N 2 0 225.380 1.106 20 0 BDADRP c1ccc([C@@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)nc1 ZINC000843113927 588082165 /nfs/dbraw/zinc/08/21/65/588082165.db2.gz BOCOUEUZNCGUQY-ZIAGYGMSSA-N 2 0 245.370 1.871 20 0 BDADRP [NH3+]CCC[C@H](NC1C[NH2+]C1)c1ccccc1 ZINC000843126722 588084661 /nfs/dbraw/zinc/08/46/61/588084661.db2.gz VRYMOZLLNZRNGO-ZDUSSCGKSA-N 2 0 219.332 1.028 20 0 BDADRP COC[C@H](C)C[NH2+]CCCCCC[NH3+] ZINC000843129847 588085660 /nfs/dbraw/zinc/08/56/60/588085660.db2.gz SCDXXZWVJFYLQG-LLVKDONJSA-N 2 0 202.342 1.378 20 0 BDADRP [NH3+]CCCCCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000843129953 588085794 /nfs/dbraw/zinc/08/57/94/588085794.db2.gz VGJNAZJDKZQHMF-UHFFFAOYSA-N 3 0 227.396 1.613 20 0 BDADRP Fc1ncccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000843339649 588100724 /nfs/dbraw/zinc/10/07/24/588100724.db2.gz CFLDXBRNCCZGSF-CYZMBNFOSA-N 2 0 249.333 1.698 20 0 BDADRP CC1(C)NC(=O)CC[C@H]1[NH2+]CCCCCC[NH3+] ZINC000843341658 588101018 /nfs/dbraw/zinc/10/10/18/588101018.db2.gz LANRTKWICIPHLK-LLVKDONJSA-N 2 0 241.379 1.152 20 0 BDADRP [NH3+]CCCCCC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000843343657 588101434 /nfs/dbraw/zinc/10/14/34/588101434.db2.gz BUVJLDHPQDCFQB-QWHCGFSZSA-N 3 0 227.396 1.755 20 0 BDADRP CCCCOC(=O)CC[N@H+](C)CCC[NH3+] ZINC000843351426 588102465 /nfs/dbraw/zinc/10/24/65/588102465.db2.gz UBAXXJXWCLEZEU-UHFFFAOYSA-N 2 0 216.325 1.000 20 0 BDADRP CC1(C)CNCC[N@@H+]1CCCCCCC[NH3+] ZINC000843352767 588103225 /nfs/dbraw/zinc/10/32/25/588103225.db2.gz UPXXZCUBFCROON-UHFFFAOYSA-N 2 0 227.396 1.579 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCCCCCC[NH3+])C1 ZINC000843353065 588103446 /nfs/dbraw/zinc/10/34/46/588103446.db2.gz APVGWOHUMJFUOL-KGLIPLIRSA-N 3 0 241.423 1.955 20 0 BDADRP Cc1cccc2c1CC[N@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000843358765 588103554 /nfs/dbraw/zinc/10/35/54/588103554.db2.gz ZGGOZBZPZIIKJF-CYBMUJFWSA-N 2 0 230.355 1.963 20 0 BDADRP CCCOC(=O)[C@H](C)N1CCCC[C@@H]1CC[NH3+] ZINC000843384368 588105697 /nfs/dbraw/zinc/10/56/97/588105697.db2.gz OCQGTPIGBJZGMB-NWDGAFQWSA-N 2 0 242.363 1.531 20 0 BDADRP CC(C)[NH2+]CCC(=O)NCCCCCC[NH3+] ZINC000843505949 588117274 /nfs/dbraw/zinc/11/72/74/588117274.db2.gz OZSLYJVMROGLGF-UHFFFAOYSA-N 2 0 229.368 1.010 20 0 BDADRP Cc1nc(C)c(C[NH2+]CCC2(C[NH3+])CC2)s1 ZINC000844903504 588219100 /nfs/dbraw/zinc/21/91/00/588219100.db2.gz DSIDHSPKOYWYSI-UHFFFAOYSA-N 2 0 239.388 1.979 20 0 BDADRP C[C@H](N)[C@H]1CCCC[N@@H+]1CCCCCC[NH3+] ZINC000846216096 588260541 /nfs/dbraw/zinc/26/05/41/588260541.db2.gz PKLFURDOLLNKRR-QWHCGFSZSA-N 2 0 227.396 1.707 20 0 BDADRP [NH3+]CCCCCCN1CC[NH2+]C[C@H]1C(F)F ZINC000846220539 588261287 /nfs/dbraw/zinc/26/12/87/588261287.db2.gz KAHWHUUYQSMPJO-JTQLQIEISA-N 2 0 235.322 1.044 20 0 BDADRP C[C@@H]1CCC[N@H+](CCCCCC[NH3+])[C@@H]1CC[NH3+] ZINC000846226407 588261750 /nfs/dbraw/zinc/26/17/50/588261750.db2.gz MPPFAZFWFACWSP-ZIAGYGMSSA-N 3 0 241.423 1.955 20 0 BDADRP [NH3+]CCCCCCNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000846681012 588282287 /nfs/dbraw/zinc/28/22/87/588282287.db2.gz WZPYWXKHDPVXBR-NWDGAFQWSA-N 2 0 241.379 1.139 20 0 BDADRP CCCCOC(=O)CC[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000846708870 588283748 /nfs/dbraw/zinc/28/37/48/588283748.db2.gz WZPFNJWLLMWWBE-RYUDHWBXSA-N 2 0 242.363 1.531 20 0 BDADRP CCc1cc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)[nH]n1 ZINC000848716596 588408041 /nfs/dbraw/zinc/40/80/41/588408041.db2.gz FADQHERKIHZTDP-ONGXEEELSA-N 2 0 222.336 1.332 20 0 BDADRP Cc1ccc(CNC(=[NH2+])NCCC[NH+](C)C)cc1 ZINC000848980410 588423179 /nfs/dbraw/zinc/42/31/79/588423179.db2.gz JTFFLECRTMLNCP-UHFFFAOYSA-N 2 0 248.374 1.561 20 0 BDADRP CCN(CC)C(=[NH2+])NC[C@H](C)[NH+]1CCCC1 ZINC000848986617 588425602 /nfs/dbraw/zinc/42/56/02/588425602.db2.gz MBXCYFJSBPMSEA-NSHDSACASA-N 2 0 226.368 1.337 20 0 BDADRP C[C@H]1CCCC[N@@H+]1CCNC(=[NH2+])NC1CC1 ZINC000848987758 588426040 /nfs/dbraw/zinc/42/60/40/588426040.db2.gz YNBLVNYSKNMUDY-JTQLQIEISA-N 2 0 224.352 1.137 20 0 BDADRP CCC[NH+](CCC)CCCNC(=[NH2+])NCC ZINC000848996329 588428967 /nfs/dbraw/zinc/42/89/67/588428967.db2.gz URDFICOAVKLLID-UHFFFAOYSA-N 2 0 228.384 1.632 20 0 BDADRP CC[C@@H](C)NC(=[NH2+])NCC1CC[NH+](CC)CC1 ZINC000848996044 588429127 /nfs/dbraw/zinc/42/91/27/588429127.db2.gz DKOONHVYZXFSMP-LLVKDONJSA-N 2 0 240.395 1.631 20 0 BDADRP CC[C@H](C)[N@H+](C)CCNC(=[NH2+])NC1CCC1 ZINC000849000904 588431017 /nfs/dbraw/zinc/43/10/17/588431017.db2.gz CUORYJFEDKZENC-JTQLQIEISA-N 2 0 226.368 1.383 20 0 BDADRP CC(C)CNC(=[NH2+])NCC[N@@H+]1CC[C@H](C)C1 ZINC000849004171 588431556 /nfs/dbraw/zinc/43/15/56/588431556.db2.gz DMGNTTDKVOOLON-NSHDSACASA-N 2 0 226.368 1.098 20 0 BDADRP CC[C@H](C)NC(=[NH2+])NC[C@@H]1CCCC[N@@H+]1CC ZINC000849005993 588432723 /nfs/dbraw/zinc/43/27/23/588432723.db2.gz JLJQHRHXPLZBGF-RYUDHWBXSA-N 2 0 240.395 1.773 20 0 BDADRP CCCC[N@H+](C)CCNC(=[NH2+])N[C@@H](C)CC ZINC000849005559 588432730 /nfs/dbraw/zinc/43/27/30/588432730.db2.gz JNDVZDFGKZSOGU-NSHDSACASA-N 2 0 228.384 1.631 20 0 BDADRP CCNC(=[NH2+])NCCCCC[NH+]1CCCCC1 ZINC000849007821 588433364 /nfs/dbraw/zinc/43/33/64/588433364.db2.gz UYFWHMPLAUPDCC-UHFFFAOYSA-N 2 0 240.395 1.776 20 0 BDADRP CCCNC(=[NH2+])NCC1CC[NH+](C2CC2)CC1 ZINC000849022967 588439389 /nfs/dbraw/zinc/43/93/89/588439389.db2.gz YXFNTGAFLOEMNR-UHFFFAOYSA-N 2 0 238.379 1.385 20 0 BDADRP CC[C@H](C)NC(=[NH2+])NCCCC[N@H+](C)C1CC1 ZINC000849039863 588447335 /nfs/dbraw/zinc/44/73/35/588447335.db2.gz VELFQOLJXJOLRA-NSHDSACASA-N 2 0 240.395 1.773 20 0 BDADRP CC(C)C[N@H+](C)CCCNC(=[NH2+])N(C)C ZINC000849046420 588450378 /nfs/dbraw/zinc/45/03/78/588450378.db2.gz GESMVGPJYXIFGM-UHFFFAOYSA-N 2 0 214.357 1.050 20 0 BDADRP C[C@H](CCO)[NH2+][C@H](C)CN1CCC(C)CC1 ZINC000850544257 588559381 /nfs/dbraw/zinc/55/93/81/588559381.db2.gz VCEKWMLMWUZPEW-CHWSQXEVSA-N 2 0 228.380 1.467 20 0 BDADRP CO[C@@H](CN1CC[C@@H]2C[NH2+]C[C@@H]21)C1CCC1 ZINC000852750147 588699886 /nfs/dbraw/zinc/69/98/86/588699886.db2.gz WSZGCEJTNDUQCU-AGIUHOORSA-N 2 0 224.348 1.095 20 0 BDADRP Cc1cncc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000863542911 589297062 /nfs/dbraw/zinc/29/70/62/589297062.db2.gz UIONVEPICDNLEI-UHFFFAOYSA-N 2 0 245.370 1.966 20 0 BDADRP CC(C)[C@H]1CC[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000863546616 589298085 /nfs/dbraw/zinc/29/80/85/589298085.db2.gz LUNABKBXKHGFDR-NEPJUHHUSA-N 2 0 214.353 1.376 20 0 BDADRP C1=C(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)COCC1 ZINC000863641810 589306307 /nfs/dbraw/zinc/30/63/07/589306307.db2.gz KUCYPUMULTVABQ-CQSZACIVSA-N 2 0 236.359 1.409 20 0 BDADRP CC[C@@H]1C[C@H](C[N@H+](C)CCOCC[NH3+])CCO1 ZINC000863652172 589307557 /nfs/dbraw/zinc/30/75/57/589307557.db2.gz PGKHRXOXIOEBCX-CHWSQXEVSA-N 2 0 244.379 1.099 20 0 BDADRP CC[C@H]1CCN(C(=[NH2+])NCC[NH+]2CCCC2)C1 ZINC000864450205 589364156 /nfs/dbraw/zinc/36/41/56/589364156.db2.gz HUTKIDAKBVNNQP-LBPRGKRZSA-N 2 0 238.379 1.338 20 0 BDADRP CCC(CC)NC(=[NH2+])NCC[NH+]1CCCCC1 ZINC000864450365 589364332 /nfs/dbraw/zinc/36/43/32/589364332.db2.gz LMCWKBUANRNYMO-UHFFFAOYSA-N 2 0 240.395 1.775 20 0 BDADRP C[C@H]1C[C@H]1NC(=[NH2+])NCC(C)(C)C[NH+](C)C ZINC000864451156 589364562 /nfs/dbraw/zinc/36/45/62/589364562.db2.gz DMIPCNNCTBJDPT-VHSXEESVSA-N 2 0 226.368 1.097 20 0 BDADRP C[C@@H]1C[C@@H]1NC(=[NH2+])NCc1ccc2c[nH+]cn2c1 ZINC000864467478 589371843 /nfs/dbraw/zinc/37/18/43/589371843.db2.gz XTMKQGZWJIKOFG-SKDRFNHKSA-N 2 0 243.314 1.357 20 0 BDADRP [NH3+][C@]12CCC[C@@H]1C[N@H+](CCCC1CC1)C2 ZINC000866668684 589510098 /nfs/dbraw/zinc/51/00/98/589510098.db2.gz ICXIQMNESWLGRH-OLZOCXBDSA-N 2 0 208.349 1.990 20 0 BDADRP C[C@H]1C[C@@H](N)C[N@@H+]1CCCCCCC[NH3+] ZINC000866681986 589511492 /nfs/dbraw/zinc/51/14/92/589511492.db2.gz DPCFOBIZOTYPAW-NWDGAFQWSA-N 2 0 213.369 1.317 20 0 BDADRP C[N@@H+]1CC[C@@H]2CN(CC[C@H]3CC[NH2+]C3)CC[C@@H]21 ZINC000866704477 589513189 /nfs/dbraw/zinc/51/31/89/589513189.db2.gz VQLDGESQWHWNFG-MCIONIFRSA-N 2 0 237.391 1.012 20 0 BDADRP C(C[N@@H+]1CC[C@H]2CSC[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000866702847 589513327 /nfs/dbraw/zinc/51/33/27/589513327.db2.gz CCBWDFKHMXSPCN-AGIUHOORSA-N 2 0 240.416 1.671 20 0 BDADRP C[N@@H+]1CC[C@@H]2CN(C[C@@H]3CCC[NH2+]C3)CC[C@@H]21 ZINC000866704829 589514679 /nfs/dbraw/zinc/51/46/79/589514679.db2.gz YDWNLQJVDPRDTA-MCIONIFRSA-N 2 0 237.391 1.012 20 0 BDADRP [NH3+]CCCCCCN1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866725301 589516411 /nfs/dbraw/zinc/51/64/11/589516411.db2.gz RWQXDGSBXRVNSL-CHWSQXEVSA-N 2 0 225.380 1.332 20 0 BDADRP OCCC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CC[NH2+]C1 ZINC000866727578 589516739 /nfs/dbraw/zinc/51/67/39/589516739.db2.gz OWXGKDHIQNNKDY-CPIKKWJDSA-N 2 0 238.375 1.221 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870938457 589699186 /nfs/dbraw/zinc/69/91/86/589699186.db2.gz PJVIRQZRPVWTBU-SRVKXCTJSA-N 2 0 241.379 1.138 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CC3(CCC3)CO2)CC[C@H]1[NH3+] ZINC000872141322 589881899 /nfs/dbraw/zinc/88/18/99/589881899.db2.gz FGNXFJAEWQQCEX-JHJVBQTASA-N 2 0 238.375 1.615 20 0 BDADRP CCN(C)C(=O)CC[N@H+](C)CCCCCC[NH3+] ZINC000872155834 589885682 /nfs/dbraw/zinc/88/56/82/589885682.db2.gz XPIYWMMKGKOSAJ-UHFFFAOYSA-N 2 0 243.395 1.306 20 0 BDADRP [NH3+]CCN1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872157552 589886003 /nfs/dbraw/zinc/88/60/03/589886003.db2.gz PPCXTHRXTKRYHE-GXTWGEPZSA-N 2 0 239.407 1.565 20 0 BDADRP C[NH+]1CCN(c2cc[nH+]cc2C2CC2)CC1 ZINC000872386199 589929870 /nfs/dbraw/zinc/92/98/70/589929870.db2.gz DRELXBSIKPNZGE-UHFFFAOYSA-N 2 0 217.316 1.711 20 0 BDADRP C[NH+](C)C[C@](C)(O)CNc1cc[nH+]cc1C1CC1 ZINC000872490672 589944773 /nfs/dbraw/zinc/94/47/73/589944773.db2.gz DLWMCMDEJGTUHF-CQSZACIVSA-N 2 0 249.358 1.105 20 0 BDADRP CC(C)[C@@H](C[NH3+])C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000873210403 589994816 /nfs/dbraw/zinc/99/48/16/589994816.db2.gz FDZCYRNWVCAMER-ZDUSSCGKSA-N 3 0 239.407 1.293 20 0 BDADRP OCC1([NH2+]Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873213387 589997351 /nfs/dbraw/zinc/99/73/51/589997351.db2.gz XNCJYVQJDUCGFV-UHFFFAOYSA-N 2 0 238.356 1.008 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000873218971 589998650 /nfs/dbraw/zinc/99/86/50/589998650.db2.gz BHRRUNHBZLMNET-RDBSUJKOSA-N 2 0 239.407 1.386 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)C1CC[NH2+]CC1 ZINC000873220103 589999017 /nfs/dbraw/zinc/99/90/17/589999017.db2.gz JJWYPPGYZLKSOH-WCFLWFBJSA-N 3 0 225.380 1.234 20 0 BDADRP CC(C)(C)[NH2+]CCN1C[C@@H](O)CC(C)(C)C1 ZINC000873221470 590000053 /nfs/dbraw/zinc/00/00/53/590000053.db2.gz KZNFPVPFELJJGX-NSHDSACASA-N 2 0 228.380 1.467 20 0 BDADRP COCC[C@H]1CCC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873248693 590007532 /nfs/dbraw/zinc/00/75/32/590007532.db2.gz DREMXHSHLVRUJZ-NDBYEHHHSA-N 2 0 226.364 1.519 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC12CCOCC2 ZINC000873248927 590007584 /nfs/dbraw/zinc/00/75/84/590007584.db2.gz IZLONJLHCXCBRL-XQQFMLRXSA-N 2 0 238.375 1.663 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000873249862 590007745 /nfs/dbraw/zinc/00/77/45/590007745.db2.gz NEVDETIFTZAXLQ-DJBIQUGXSA-N 3 0 231.343 1.458 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C12CCC2 ZINC000873252863 590008998 /nfs/dbraw/zinc/00/89/98/590008998.db2.gz WRFUGSVMDDKZNJ-RNJOBUHISA-N 2 0 238.375 1.661 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000873252927 590009028 /nfs/dbraw/zinc/00/90/28/590009028.db2.gz SNLLAPXVUIPTFQ-XWUBHJNHSA-N 2 0 240.391 1.765 20 0 BDADRP CC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCOC1 ZINC000873254294 590009638 /nfs/dbraw/zinc/00/96/38/590009638.db2.gz PWELUCBHHHCSFJ-NNYUYHANSA-N 2 0 212.337 1.128 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000873254221 590009901 /nfs/dbraw/zinc/00/99/01/590009901.db2.gz NUTDJRLHINSUDI-RVMXOQNASA-N 3 0 225.380 1.044 20 0 BDADRP COCCC[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873254480 590010261 /nfs/dbraw/zinc/01/02/61/590010261.db2.gz UQPNOOAPQHLDRV-GARJFASQSA-N 2 0 200.326 1.128 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)C1CCOCC1 ZINC000873257239 590011390 /nfs/dbraw/zinc/01/13/90/590011390.db2.gz RKFWAGYCORYPGJ-NHCYSSNCSA-N 2 0 212.337 1.128 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)[C@@H]1CCCOC1 ZINC000873256417 590011645 /nfs/dbraw/zinc/01/16/45/590011645.db2.gz MKCUBRKIHJUDEE-YFKTTZPYSA-N 2 0 212.337 1.128 20 0 BDADRP CC[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)[C@@H]1CCOC1 ZINC000873256740 590011758 /nfs/dbraw/zinc/01/17/58/590011758.db2.gz PWELUCBHHHCSFJ-DDHJBXDOSA-N 2 0 212.337 1.128 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc2c(c1)OCO2 ZINC000873257661 590012311 /nfs/dbraw/zinc/01/23/11/590012311.db2.gz WDHQOTGIHFINAU-FOGDFJRCSA-N 2 0 248.326 1.803 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccccn1 ZINC000873258205 590013176 /nfs/dbraw/zinc/01/31/76/590013176.db2.gz XSTQKPKZNAZNNQ-DCAQKATOSA-N 2 0 205.305 1.470 20 0 BDADRP COC[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000873260414 590013357 /nfs/dbraw/zinc/01/33/57/590013357.db2.gz ZZECVPSPVZVSBT-GHYVTOPFSA-N 2 0 238.375 1.532 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cnn(C)c1 ZINC000873260193 590013500 /nfs/dbraw/zinc/01/35/00/590013500.db2.gz VBCWLQYCIMSUAB-VTPLQMEGSA-N 2 0 248.374 1.601 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cnccn1 ZINC000873259956 590013633 /nfs/dbraw/zinc/01/36/33/590013633.db2.gz PEOSAFBDJMYMMI-RVMXOQNASA-N 2 0 246.358 1.658 20 0 BDADRP C[C@H]1CN(C)C[C@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873263552 590013982 /nfs/dbraw/zinc/01/39/82/590013982.db2.gz JKZHJGSLVFLNPE-PDWCTOEPSA-N 2 0 237.391 1.057 20 0 BDADRP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1cnccn1 ZINC000873265603 590015115 /nfs/dbraw/zinc/01/51/15/590015115.db2.gz OPVNVBKZJVXNQT-GHMZBOCLSA-N 2 0 234.347 1.515 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCn2ccnc21)C1CC[NH2+]CC1 ZINC000873268962 590015407 /nfs/dbraw/zinc/01/54/07/590015407.db2.gz BLNDJECHIZZINU-ZYHUDNBSSA-N 2 0 234.347 1.306 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+][C@H](C)C2CC[NH2+]CC2)C1 ZINC000873269242 590015484 /nfs/dbraw/zinc/01/54/84/590015484.db2.gz OBJNQRZXTTYCFX-MRVWCRGKSA-N 2 0 240.391 1.922 20 0 BDADRP CC[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)[C@H]1CCOC1 ZINC000873268184 590015793 /nfs/dbraw/zinc/01/57/93/590015793.db2.gz TWAFJNZPEYVLHE-KWCYVHTRSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873270223 590016288 /nfs/dbraw/zinc/01/62/88/590016288.db2.gz PLSVNLACQWFQCI-OUAUKWLOSA-N 3 0 213.369 1.090 20 0 BDADRP Cc1nccnc1[C@@H](C)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873271183 590016338 /nfs/dbraw/zinc/01/63/38/590016338.db2.gz FVDZGDZHSUEWPZ-CMPLNLGQSA-N 2 0 248.374 1.824 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)[C@@H]1CCCC[NH2+]1 ZINC000873272824 590017002 /nfs/dbraw/zinc/01/70/02/590017002.db2.gz WSBIRQRPRJLIOZ-SCRDCRAPSA-N 3 0 239.407 1.495 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccnn1C ZINC000873274868 590017012 /nfs/dbraw/zinc/01/70/12/590017012.db2.gz GUVCUSMRIMJYHT-MNOVXSKESA-N 2 0 224.352 1.588 20 0 BDADRP C[C@H]([NH2+]C1([C@@H]2CCCCO2)CCC1)C1C[NH2+]C1 ZINC000873275996 590017594 /nfs/dbraw/zinc/01/75/94/590017594.db2.gz PRAVLRVPEFBFJR-AAEUAGOBSA-N 2 0 238.375 1.676 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCC1CCC1 ZINC000873283125 590019404 /nfs/dbraw/zinc/01/94/04/590019404.db2.gz ZDEWKWABDZUCTH-WCFLWFBJSA-N 2 0 226.364 1.519 20 0 BDADRP Nc1cc(F)cc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000873288912 590022233 /nfs/dbraw/zinc/02/22/33/590022233.db2.gz CGGPXGNYYOJYLR-MFKMUULPSA-N 2 0 237.322 1.625 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000873290190 590023545 /nfs/dbraw/zinc/02/35/45/590023545.db2.gz OSBASHMXPZMWIQ-YPMHNXCESA-N 2 0 238.375 1.533 20 0 BDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000876808719 590244893 /nfs/dbraw/zinc/24/48/93/590244893.db2.gz MOMFCXXHZLNFJT-NEPJUHHUSA-N 2 0 247.342 1.457 20 0 BDADRP CC1(C)[C@H](C(=O)Nc2ccc(C[NH3+])cc2)C[C@@H]1[NH3+] ZINC000876808723 590244993 /nfs/dbraw/zinc/24/49/93/590244993.db2.gz MOMFCXXHZLNFJT-RYUDHWBXSA-N 2 0 247.342 1.457 20 0 BDADRP Cc1cc(C)cc(CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000876818191 590245992 /nfs/dbraw/zinc/24/59/92/590245992.db2.gz REVRODDNIPBYQI-IYBDPMFKSA-N 2 0 244.382 1.997 20 0 BDADRP [NH3+][C@@H]1CC=C(C(=O)N2CCC[C@H]2c2ncc[nH]2)C1 ZINC000876903126 590255456 /nfs/dbraw/zinc/25/54/56/590255456.db2.gz LDNKIRFABHKWIH-MNOVXSKESA-N 2 0 246.314 1.121 20 0 BDADRP C[C@H]1CC[C@@H](NC(=O)c2cccc(C[NH3+])c2)C[NH2+]1 ZINC000877052205 590274632 /nfs/dbraw/zinc/27/46/32/590274632.db2.gz QGHHCRZUFLRLRG-GXFFZTMASA-N 2 0 247.342 1.016 20 0 BDADRP C[C@@H]([NH3+])CCC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877137617 590290880 /nfs/dbraw/zinc/29/08/80/590290880.db2.gz YUPKSXHEOQAMAF-JIMOISOXSA-N 2 0 247.342 1.567 20 0 BDADRP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)CC2([NH3+])CC2)cc1 ZINC000877137723 590291101 /nfs/dbraw/zinc/29/11/01/590291101.db2.gz ACJSKTFTHZMETE-NWDGAFQWSA-N 2 0 245.326 1.321 20 0 BDADRP CC(C)([NH3+])CC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877133183 590291221 /nfs/dbraw/zinc/29/12/21/590291221.db2.gz BRUXEIHXOADAOM-NWDGAFQWSA-N 2 0 247.342 1.567 20 0 BDADRP COC[C@@H]([NH2+]C[C@H](C)N1CCCCC1)C1CC1 ZINC000126432515 590302825 /nfs/dbraw/zinc/30/28/25/590302825.db2.gz XNIXBXUCHZSGKF-GXTWGEPZSA-N 2 0 240.391 1.875 20 0 BDADRP CN(CCCCCC[NH3+])C(=O)CCCC[NH3+] ZINC000877438031 590327816 /nfs/dbraw/zinc/32/78/16/590327816.db2.gz HICHJBBAEYERGK-UHFFFAOYSA-N 2 0 229.368 1.093 20 0 BDADRP CN(CCCCCC[NH3+])C(=O)[C@H]([NH3+])C1CCC1 ZINC000877437806 590328256 /nfs/dbraw/zinc/32/82/56/590328256.db2.gz WSYPZSSRECHSIA-GFCCVEGCSA-N 2 0 241.379 1.091 20 0 BDADRP COCC[N@H+](CC1CC1)CC1CC[NH+](C)CC1 ZINC000877665311 590388673 /nfs/dbraw/zinc/38/86/73/590388673.db2.gz QKGYIFSRRTWLMJ-UHFFFAOYSA-N 2 0 240.391 1.687 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1)C1CC1 ZINC000877741387 590409695 /nfs/dbraw/zinc/40/96/95/590409695.db2.gz VLNLIRDDHFYOLF-MGPQQGTHSA-N 2 0 238.375 1.437 20 0 BDADRP CC(C)[C@@H](O)CC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000877970426 590462535 /nfs/dbraw/zinc/46/25/35/590462535.db2.gz NYILAXMJCDZONC-AWEZNQCLSA-N 2 0 242.407 1.667 20 0 BDADRP CO[C@H]1C[C@@H](C[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000878162263 590511506 /nfs/dbraw/zinc/51/15/06/590511506.db2.gz CQCPQFCDAJBIKO-XDQVBPFNSA-N 2 0 240.391 1.826 20 0 BDADRP C[N@@H+]1CC[C@H]2C[NH+](C[Si](C)(C)C)CC[C@H]21 ZINC000879573795 590812416 /nfs/dbraw/zinc/81/24/16/590812416.db2.gz RQVHPTOFXJPRHP-NWDGAFQWSA-N 2 0 226.440 1.890 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](CCCn3ccnc3)CC[C@@H]21 ZINC000879577842 590813138 /nfs/dbraw/zinc/81/31/38/590813138.db2.gz MXWCKGPUVHOSOI-KGLIPLIRSA-N 2 0 248.374 1.299 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CC[C@H](C(C)(C)O)C1 ZINC000880148328 590946387 /nfs/dbraw/zinc/94/63/87/590946387.db2.gz VNKYGAGQPGOQMO-ZDUSSCGKSA-N 2 0 242.407 1.811 20 0 BDADRP COC[C@@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880259709 590980031 /nfs/dbraw/zinc/98/00/31/590980031.db2.gz ZNZWPALFQOLHSA-CHWSQXEVSA-N 2 0 249.358 1.627 20 0 BDADRP CCN1CC[C@@H]1C[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000883354094 591625194 /nfs/dbraw/zinc/62/51/94/591625194.db2.gz KOZOXNPXFWJGDI-MJBXVCDLSA-N 2 0 239.407 1.401 20 0 BDADRP CCN1CC[C@H]1C[NH2+]C1CC(CF)(CF)C1 ZINC000883356913 591628085 /nfs/dbraw/zinc/62/80/85/591628085.db2.gz YSWVOVAKDMFEEZ-NSHDSACASA-N 2 0 232.318 1.758 20 0 BDADRP C[N@H+](CC[C@H]1CCCC1(F)F)C[C@@H](O)C[NH3+] ZINC000883430108 591661500 /nfs/dbraw/zinc/66/15/00/591661500.db2.gz NHOZWILPWWWEAR-ZJUUUORDSA-N 2 0 236.306 1.063 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000883434160 591664233 /nfs/dbraw/zinc/66/42/33/591664233.db2.gz IOZMATXKECZODW-YNEHKIRRSA-N 2 0 238.375 1.948 20 0 BDADRP [NH3+]CCC[N@H+]1Cc2ccccc2N2CCC[C@H]2C1 ZINC000883462357 591673584 /nfs/dbraw/zinc/67/35/84/591673584.db2.gz PFSGWDUKOIMASP-AWEZNQCLSA-N 2 0 245.370 1.820 20 0 BDADRP [NH3+]CCC[N@@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000883462047 591674112 /nfs/dbraw/zinc/67/41/12/591674112.db2.gz IWLZUNSVYCTBDS-CQSZACIVSA-N 2 0 240.391 1.864 20 0 BDADRP C[NH2+][C@@H](CC(C)C)C(=O)Nc1cccc(C[NH3+])c1 ZINC000884007304 591795063 /nfs/dbraw/zinc/79/50/63/591795063.db2.gz WOYYRIKSKBTYJD-ZDUSSCGKSA-N 2 0 249.358 1.718 20 0 BDADRP CC[S@@](=O)CC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000133515880 591811057 /nfs/dbraw/zinc/81/10/57/591811057.db2.gz ORKNYLYHYDNCLK-ZBEGNZNMSA-N 2 0 246.420 1.075 20 0 BDADRP C[NH2+][C@@H](CC(C)C)C(=O)NCC(C)(C)[NH+](C)C ZINC000884178022 591867981 /nfs/dbraw/zinc/86/79/81/591867981.db2.gz AMVSGWLNAZMGFW-NSHDSACASA-N 2 0 243.395 1.077 20 0 BDADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000884267568 591888353 /nfs/dbraw/zinc/88/83/53/591888353.db2.gz ISXNHJKAILJFCJ-SRVKXCTJSA-N 2 0 241.379 1.007 20 0 BDADRP C[C@H](c1ccncc1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217504852 592116690 /nfs/dbraw/zinc/11/66/90/592116690.db2.gz WYORQDPAPJCERW-NEPJUHHUSA-N 2 0 219.332 1.813 20 0 BDADRP CC(C)C[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000219260052 592220604 /nfs/dbraw/zinc/22/06/04/592220604.db2.gz NLNUIYOLEICCJY-GSPSYOTPSA-N 2 0 240.391 1.608 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886568394 592261641 /nfs/dbraw/zinc/26/16/41/592261641.db2.gz IYRJDOJRICESRI-FRRDWIJNSA-N 2 0 240.416 1.766 20 0 BDADRP C[NH2+]CC1CC[NH+](C[C@H]2C[C@@]23CCOC3)CC1 ZINC000886828017 592351786 /nfs/dbraw/zinc/35/17/86/592351786.db2.gz VSLPOVGGUMXFTP-ZIAGYGMSSA-N 2 0 238.375 1.344 20 0 BDADRP C[N@H+](C[C@H]1C[C@@]12CCOC2)C1CCC([NH3+])CC1 ZINC000886830391 592352780 /nfs/dbraw/zinc/35/27/80/592352780.db2.gz QFBKWXLPOSZXPL-BLYZHGLHSA-N 2 0 238.375 1.615 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@@H]1C[C@@]12CCOC2 ZINC000886839844 592359879 /nfs/dbraw/zinc/35/98/79/592359879.db2.gz NGVKUTUNNVNHHS-SGMGOOAPSA-N 2 0 238.375 1.391 20 0 BDADRP C[N@H+](CCCCCC[NH3+])C[C@H]1C[C@]12CCOC2 ZINC000886841554 592362357 /nfs/dbraw/zinc/36/23/57/592362357.db2.gz OTPWDPAZWAQENS-KGLIPLIRSA-N 2 0 240.391 1.864 20 0 BDADRP CC(C)[N@H+](C)CCCNC(=[NH2+])NCC1CC1 ZINC000887348751 592484734 /nfs/dbraw/zinc/48/47/34/592484734.db2.gz VRJSMVOPWFHQCV-UHFFFAOYSA-N 2 0 226.368 1.241 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])NCC1CC1 ZINC000887354073 592487058 /nfs/dbraw/zinc/48/70/58/592487058.db2.gz ONCFDYDKWIFABW-GFCCVEGCSA-N 2 0 238.379 1.385 20 0 BDADRP C[C@@H]1CC[N@H+](CCCCCCO)C[C@H]1C[NH3+] ZINC000300334355 592507090 /nfs/dbraw/zinc/50/70/90/592507090.db2.gz HZCTXNOLPAMVSO-CHWSQXEVSA-N 2 0 228.380 1.456 20 0 BDADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]C/C=C/CO ZINC000925702685 634379782 /nfs/dbraw/zinc/37/97/82/634379782.db2.gz AIWNTOLAIJHNBY-SDQMDLPUSA-N 2 0 224.348 1.031 20 0 BDADRP C[C@@H]([NH3+])[C@@H](NCCC[NH2+]C1CC1)c1ccccc1 ZINC000925704291 634384028 /nfs/dbraw/zinc/38/40/28/634384028.db2.gz FZXCLAAUOYNRHC-IUODEOHRSA-N 2 0 247.386 1.807 20 0 BDADRP CC1(C)C[C@@H](NCCC[NH2+]C2CC2)C[C@@H]([NH3+])C1 ZINC000925706609 634391469 /nfs/dbraw/zinc/39/14/69/634391469.db2.gz NJNQHBRVRMBSFT-YPMHNXCESA-N 2 0 239.407 1.624 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)O1 ZINC000299996640 634403993 /nfs/dbraw/zinc/40/39/93/634403993.db2.gz RVXLTDWZUZCOTI-FVCCEPFGSA-N 2 0 226.364 1.471 20 0 BDADRP CC[C@@H](O)C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925709804 634407795 /nfs/dbraw/zinc/40/77/95/634407795.db2.gz OQPLAMRGBRNYTO-GARJFASQSA-N 2 0 214.353 1.253 20 0 BDADRP CC[C@@H](O)C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925710088 634408134 /nfs/dbraw/zinc/40/81/34/634408134.db2.gz PYZSHYKFKBQSEA-WYUUTHIRSA-N 2 0 226.364 1.124 20 0 BDADRP COCC1(C[NH2+][C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925711054 634410574 /nfs/dbraw/zinc/41/05/74/634410574.db2.gz CYNBLFPKFMMPDB-JTQLQIEISA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CO1 ZINC000925714591 634430810 /nfs/dbraw/zinc/43/08/10/634430810.db2.gz ZZUAJUZIABPXSV-WYUUTHIRSA-N 2 0 226.364 1.659 20 0 BDADRP CC1(C)COC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000313096410 634450215 /nfs/dbraw/zinc/45/02/15/634450215.db2.gz DMZUZSAUKGHKKA-YPMHNXCESA-N 2 0 238.375 1.485 20 0 BDADRP C[C@H](c1cccnc1)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000257750967 634492681 /nfs/dbraw/zinc/49/26/81/634492681.db2.gz UVSBBTGEYYVIHD-NEPJUHHUSA-N 2 0 219.332 1.813 20 0 BDADRP CC(=O)OC[C@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000893471774 634519653 /nfs/dbraw/zinc/51/96/53/634519653.db2.gz WZMOGWCNIASVAK-NSHDSACASA-N 2 0 242.363 1.260 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@@]1(C)CC1(C)C ZINC000925732497 634573015 /nfs/dbraw/zinc/57/30/15/634573015.db2.gz BYQQQSYRRFKOIR-CIQGVGRVSA-N 2 0 240.391 1.765 20 0 BDADRP C[C@H]([NH2+]CC1(CC2CC2)CC1)C1C[NH2+]C1 ZINC000925734186 634581508 /nfs/dbraw/zinc/58/15/08/634581508.db2.gz OABLOOFXCIXVCH-JTQLQIEISA-N 2 0 208.349 1.764 20 0 BDADRP C[N@H+](CCOCC1CC1)CC[C@H]1CCC[NH2+]C1 ZINC000094989550 635402543 /nfs/dbraw/zinc/40/25/43/635402543.db2.gz BEJCLCLRAVUKKT-CYBMUJFWSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000925831804 635469950 /nfs/dbraw/zinc/46/99/50/635469950.db2.gz MDCOLXWNEYWBBO-AATLWQCWSA-N 2 0 236.281 1.772 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000925832258 635472541 /nfs/dbraw/zinc/47/25/41/635472541.db2.gz MLMCFBZIBFHZQM-WUHRBBMRSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@@H](CC[S@](C)=O)[NH2+]CC1CC[NH+](C)CC1 ZINC000230088988 635479403 /nfs/dbraw/zinc/47/94/03/635479403.db2.gz IEBZPLDBASLGLS-ZBEGNZNMSA-N 2 0 246.420 1.075 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000925833691 635479796 /nfs/dbraw/zinc/47/97/96/635479796.db2.gz WYWPSIGGONVFPZ-OBPIAQAESA-N 2 0 222.332 1.047 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000925858213 635549055 /nfs/dbraw/zinc/54/90/55/635549055.db2.gz OAEJBALZOAGRDB-UTUOFQBUSA-N 2 0 214.353 1.397 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CC[C@@H](SC)C1 ZINC000234703191 635558382 /nfs/dbraw/zinc/55/83/82/635558382.db2.gz AVCGRZLBOVADOD-SDDRHHMPSA-N 2 0 246.420 1.614 20 0 BDADRP Cn1nc(C2CC2)cc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000925873645 635592574 /nfs/dbraw/zinc/59/25/74/635592574.db2.gz LOOHKFRGIBOHNH-VXGBXAGGSA-N 2 0 248.374 1.657 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C1(C)C ZINC000925875686 635598124 /nfs/dbraw/zinc/59/81/24/635598124.db2.gz LZZCCCXAAQMGFV-XQHKEYJVSA-N 2 0 240.391 1.907 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000925881675 635610699 /nfs/dbraw/zinc/61/06/99/635610699.db2.gz DKSPDDUKLKBKKF-REWJHTLYSA-N 3 0 237.391 1.330 20 0 BDADRP Cc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1C ZINC000090319980 631247051 /nfs/dbraw/zinc/24/70/51/631247051.db2.gz UMFINEDHLVMPMB-GJZGRUSLSA-N 2 0 230.355 1.955 20 0 BDADRP Oc1cccc(C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000215952170 631249891 /nfs/dbraw/zinc/24/98/91/631249891.db2.gz NKDRYZHNAQIADE-LBPRGKRZSA-N 2 0 220.316 1.624 20 0 BDADRP CO[C@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)C12CCC2 ZINC000308364948 631306769 /nfs/dbraw/zinc/30/67/69/631306769.db2.gz KDSFFIWEHRIOKE-OLZOCXBDSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@H](C)NC(=O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000091847880 631544186 /nfs/dbraw/zinc/54/41/86/631544186.db2.gz SNRONESXDVMQKE-UNXYVOJBSA-N 2 0 241.379 1.103 20 0 BDADRP CCCCN(C)C[C@H](C)[NH2+][C@H](C)CCO ZINC000308927496 631746746 /nfs/dbraw/zinc/74/67/46/631746746.db2.gz INMFQEUGEJQAMW-NEPJUHHUSA-N 2 0 216.369 1.467 20 0 BDADRP CCCCNC(=[NH2+])NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000848996204 631891237 /nfs/dbraw/zinc/89/12/37/631891237.db2.gz KWQORATULQNAGK-GFCCVEGCSA-N 2 0 240.395 1.631 20 0 BDADRP C[NH+](C)[C@H]1CCCN(C[C@]2(C)CCC[NH2+]C2)C1 ZINC000091395362 631957178 /nfs/dbraw/zinc/95/71/78/631957178.db2.gz WRCBAMMXBPIVEL-UONOGXRCSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@H](CCO)[NH2+]C[C@H](C)N1CCCCC1 ZINC000308855752 631957732 /nfs/dbraw/zinc/95/77/32/631957732.db2.gz PUDPZBRIQGLLDW-NEPJUHHUSA-N 2 0 214.353 1.221 20 0 BDADRP CSC1(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000235116607 631983337 /nfs/dbraw/zinc/98/33/37/631983337.db2.gz ZILWMZWCUSNJNF-QWRGUYRKSA-N 2 0 228.405 1.989 20 0 BDADRP CSC1(C[NH2+][C@H]2CCC[NH2+]CC2)CC1 ZINC000235117335 632008245 /nfs/dbraw/zinc/00/82/45/632008245.db2.gz IAPOPBHLCQOCKF-JTQLQIEISA-N 2 0 214.378 1.614 20 0 BDADRP CSC1(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])CCC1 ZINC000235119125 632009216 /nfs/dbraw/zinc/00/92/16/632009216.db2.gz FKSAEPXIZDGFJO-MNOVXSKESA-N 2 0 228.405 1.989 20 0 BDADRP CCNC(=[NH2+])NCCC[N@@H+]1CCCC[C@@H]1C ZINC000052041112 632050928 /nfs/dbraw/zinc/05/09/28/632050928.db2.gz ZBTHHMUQMRAMTN-NSHDSACASA-N 2 0 226.368 1.385 20 0 BDADRP CC(C)CNC(=[NH2+])NC[C@@H]1CCC[N@H+](C)C1 ZINC000052043919 632052241 /nfs/dbraw/zinc/05/22/41/632052241.db2.gz WVMYUVUGIFFIDD-NSHDSACASA-N 2 0 226.368 1.098 20 0 BDADRP CC(C)NC(=[NH2+])NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000052043286 632053879 /nfs/dbraw/zinc/05/38/79/632053879.db2.gz BRMMYIOLYZFGLD-NSHDSACASA-N 2 0 226.368 1.239 20 0 BDADRP CC(C)NC(=[NH2+])NC[C@@H](C)[NH+]1CCCCC1 ZINC000052042790 632053926 /nfs/dbraw/zinc/05/39/26/632053926.db2.gz FUAOAJZBMRLNFM-LLVKDONJSA-N 2 0 226.368 1.383 20 0 BDADRP C[N@@H+]1CCC[C@H](CNC(=[NH2+])NC2CCCC2)C1 ZINC000052048213 632055369 /nfs/dbraw/zinc/05/53/69/632055369.db2.gz DYJHMRIXYBSTID-LLVKDONJSA-N 2 0 238.379 1.385 20 0 BDADRP C[C@H]([NH2+]CCCCCC[NH3+])[C@H]1CCOC1 ZINC000158609256 635715591 /nfs/dbraw/zinc/71/55/91/635715591.db2.gz HRBLFQSCCJDGGY-RYUDHWBXSA-N 2 0 214.353 1.520 20 0 BDADRP OCc1c[nH+]ccc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000126502665 632123158 /nfs/dbraw/zinc/12/31/58/632123158.db2.gz HBZFUYVFKMJYFJ-CYBMUJFWSA-N 2 0 247.342 1.248 20 0 BDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]CC(C)C)CC1 ZINC000052422282 632404380 /nfs/dbraw/zinc/40/43/80/632404380.db2.gz PCXLZSYYAWSZPB-CQSZACIVSA-N 2 0 241.423 1.506 20 0 BDADRP COc1ccc(C[N@H+](C)C2CCC([NH3+])CC2)cn1 ZINC000158331176 632465772 /nfs/dbraw/zinc/46/57/72/632465772.db2.gz GUTOBYJOOFHNPS-UHFFFAOYSA-N 2 0 249.358 1.792 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])[C@@H]1CCOC1 ZINC000158482404 632472427 /nfs/dbraw/zinc/47/24/27/632472427.db2.gz LVBNIXRGCOLEEF-UMSGYPCISA-N 2 0 226.364 1.519 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCCO1 ZINC000251024806 632544751 /nfs/dbraw/zinc/54/47/51/632544751.db2.gz FQKLHZGOCVIWSP-YNEHKIRRSA-N 2 0 226.364 1.663 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H](C)CCO)CC1 ZINC000309050270 632628811 /nfs/dbraw/zinc/62/88/11/632628811.db2.gz QRVIRZNHGKSUPI-NSHDSACASA-N 2 0 214.353 1.079 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)C[C@H]1CCOC1)C[NH+](C)C ZINC000309746008 632663840 /nfs/dbraw/zinc/66/38/40/632663840.db2.gz JDOGKEOYIYTMEH-FRRDWIJNSA-N 2 0 228.380 1.589 20 0 BDADRP CSC1(C[NH2+][C@@H](C)CCO)CC[NH+](C)CC1 ZINC000309901784 632679169 /nfs/dbraw/zinc/67/91/69/632679169.db2.gz IAESANCSRWTZQO-NSHDSACASA-N 2 0 246.420 1.174 20 0 BDADRP C[C@@H]1C[C@H](C[NH+]2CCC([NH+](C)C)CC2)CC[NH2+]1 ZINC000235367293 632680675 /nfs/dbraw/zinc/68/06/75/632680675.db2.gz NKQKUGNGRXWKKA-CHWSQXEVSA-N 3 0 239.407 1.401 20 0 BDADRP C[C@@H](O)[C@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000309978970 632688575 /nfs/dbraw/zinc/68/85/75/632688575.db2.gz VIEBZKSPQHSMDE-WDEREUQCSA-N 2 0 228.380 1.608 20 0 BDADRP OCCCCCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310552093 632756554 /nfs/dbraw/zinc/75/65/54/632756554.db2.gz GSWKAYWPAUNFHD-OKILXGFUSA-N 2 0 240.391 1.471 20 0 BDADRP Cc1ccc(O)c(C[N@@H+](C)C2CCC([NH3+])CC2)n1 ZINC000091996244 632774266 /nfs/dbraw/zinc/77/42/66/632774266.db2.gz DUEBWTJYWNURLV-UHFFFAOYSA-N 2 0 249.358 1.797 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cc[nH]c(=O)c1 ZINC000926667023 632794554 /nfs/dbraw/zinc/79/45/54/632794554.db2.gz XOBDEBSPSMETMM-GMXVVIOVSA-N 2 0 249.358 1.778 20 0 BDADRP CC(C)C[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000229621679 632982827 /nfs/dbraw/zinc/98/28/27/632982827.db2.gz RSUHEZZYLHZUQD-MJBXVCDLSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@@H]1C[N@H+](CCOc2ccccc2)CC[C@@H]1C[NH3+] ZINC000122299427 633199783 /nfs/dbraw/zinc/19/97/83/633199783.db2.gz BIPSYPDTMOIWKU-ZIAGYGMSSA-N 2 0 248.370 1.982 20 0 BDADRP CCC[C@H](C)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328423285 633763023 /nfs/dbraw/zinc/76/30/23/633763023.db2.gz KQBNTMHDPNSVPN-MCDVFOBDSA-N 2 0 208.349 1.761 20 0 BDADRP c1ccc(CC[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)cc1 ZINC000328491657 633773120 /nfs/dbraw/zinc/77/31/20/633773120.db2.gz OAVOQLGKAKWNMY-GVRJEKJASA-N 2 0 242.366 1.815 20 0 BDADRP CC1(C)CC[C@@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328512293 633776979 /nfs/dbraw/zinc/77/69/79/633776979.db2.gz CAQNQAXUZWHVPB-LIBFEPKXSA-N 2 0 220.360 1.761 20 0 BDADRP CSCCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328563352 633777469 /nfs/dbraw/zinc/77/74/69/633777469.db2.gz JCFNWSMOGMFXCD-RNWYCLNJSA-N 2 0 226.389 1.326 20 0 BDADRP C[NH+](C)CCCN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925503080 633828576 /nfs/dbraw/zinc/82/85/76/633828576.db2.gz MWAAJCWIPBRCLT-NEPJUHHUSA-N 2 0 227.396 1.434 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCC[C@H](O)C1 ZINC000925506093 633838222 /nfs/dbraw/zinc/83/82/22/633838222.db2.gz VZHUEYUVBVVXGG-YPJKKVEASA-N 2 0 238.375 1.395 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCN1CCCC1 ZINC000925509995 633849011 /nfs/dbraw/zinc/84/90/11/633849011.db2.gz RTAQFCPDEWVEFK-VTXSZYRJSA-N 2 0 237.391 1.188 20 0 BDADRP CC1(C)[C@@H]([NH2+]CC2CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925537418 633940731 /nfs/dbraw/zinc/94/07/31/633940731.db2.gz XIPVYYQAMPLHND-WOPDTQHZSA-N 2 0 208.349 1.763 20 0 BDADRP Cc1ncc(CN2CC[N@H+](C)C(C)(C)C2)n1C ZINC000895564164 636158540 /nfs/dbraw/zinc/15/85/40/636158540.db2.gz ABKUSBSXGQVOSV-UHFFFAOYSA-N 2 0 236.363 1.255 20 0 BDADRP C[C@H](O)C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925610644 634149248 /nfs/dbraw/zinc/14/92/48/634149248.db2.gz IPBKKDKOVLQIOX-DRZSPHRISA-N 2 0 226.364 1.125 20 0 BDADRP CO[C@H]1CCC[C@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000310484361 634152849 /nfs/dbraw/zinc/15/28/49/634152849.db2.gz DPDXSFBIBCTAAD-OLZOCXBDSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1C=C[C@H](CO)C1)[NH2+]2 ZINC000925616613 634163841 /nfs/dbraw/zinc/16/38/41/634163841.db2.gz SGJSXOPLDXDHHP-VPCRRHSYSA-N 2 0 236.359 1.042 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H](CCO)C2CC2)C12CCC2 ZINC000925619851 634177377 /nfs/dbraw/zinc/17/73/77/634177377.db2.gz RHHMYQRKMLFHLY-UTUOFQBUSA-N 2 0 224.348 1.007 20 0 BDADRP CC1(C)[C@H]([NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)C[C@@H]1O ZINC000925647518 634202247 /nfs/dbraw/zinc/20/22/47/634202247.db2.gz ZMPBHEYYNVTNIR-KXNHARMFSA-N 2 0 240.391 1.641 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@H]1CC12CCOCC2 ZINC000925682121 634285058 /nfs/dbraw/zinc/28/50/58/634285058.db2.gz SZQWTKZTAYSGOP-NWDGAFQWSA-N 2 0 238.375 1.533 20 0 BDADRP Cc1cnc(CC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)cn1 ZINC000925683696 634288175 /nfs/dbraw/zinc/28/81/75/634288175.db2.gz AHLWDJAXMQPZIM-OLZOCXBDSA-N 2 0 246.358 1.187 20 0 BDADRP CC1(C)C[C@@H]([NH2+][C@@H]2CCC[C@H]2C[NH3+])C[C@@H]([NH3+])C1 ZINC000925690779 634314250 /nfs/dbraw/zinc/31/42/50/634314250.db2.gz HDXQCYJJLXPRBP-QNWHQSFQSA-N 3 0 239.407 1.609 20 0 BDADRP C[C@@H](N)[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccccc1 ZINC000925692611 634326018 /nfs/dbraw/zinc/32/60/18/634326018.db2.gz OJFQLMRZNRDAKI-IUODEOHRSA-N 2 0 247.386 1.664 20 0 BDADRP [NH3+]C1CCC([NH2+][C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925693501 634329342 /nfs/dbraw/zinc/32/93/42/634329342.db2.gz OZZKAGWCONXXEH-WXRRBKDZSA-N 3 0 237.391 1.521 20 0 BDADRP COC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000020523824 634344639 /nfs/dbraw/zinc/34/46/39/634344639.db2.gz DKTIHLPDDWBLLX-WAAKLRNESA-N 2 0 212.337 1.236 20 0 BDADRP C(N[C@H]1CC[NH2+]C12CCCC2)[C@@H]1CCCC[NH2+]1 ZINC000925695782 634353540 /nfs/dbraw/zinc/35/35/40/634353540.db2.gz XIEMBIIIIIZKHQ-STQMWFEESA-N 2 0 237.391 1.393 20 0 BDADRP C[C@H]([NH3+])CN[C@@H](CCC[NH3+])c1ccccc1 ZINC000925698119 634362396 /nfs/dbraw/zinc/36/23/96/634362396.db2.gz BZEJCTSTDSBZBZ-AAEUAGOBSA-N 3 0 221.348 1.403 20 0 BDADRP C[NH2+][C@H](C)CN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925698879 634367090 /nfs/dbraw/zinc/36/70/90/634367090.db2.gz HQZHCDCNFVGEAJ-OUAUKWLOSA-N 2 0 213.369 1.090 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000925699631 634368523 /nfs/dbraw/zinc/36/85/23/634368523.db2.gz LJTZWHLLBDHZKI-AAVRWANBSA-N 2 0 240.391 1.779 20 0 BDADRP COc1ccc(C[NH2+]CCC(C)(C)[NH3+])cc1 ZINC000258991602 635230706 /nfs/dbraw/zinc/23/07/06/635230706.db2.gz VZBAMALDHOHPLM-UHFFFAOYSA-N 2 0 222.332 1.912 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC3(CCC3)CO2)C1 ZINC000925774377 635234806 /nfs/dbraw/zinc/23/48/06/635234806.db2.gz UVGZYHYYDLMQKP-JHJVBQTASA-N 2 0 238.375 1.805 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC23CCOCC3)C1 ZINC000925781333 635272183 /nfs/dbraw/zinc/27/21/83/635272183.db2.gz YEZNPKUSCBDCRB-JHJVBQTASA-N 2 0 238.375 1.805 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000925784360 635299168 /nfs/dbraw/zinc/29/91/68/635299168.db2.gz MWRBHYTYYDEFIU-ZYHUDNBSSA-N 2 0 208.349 1.907 20 0 BDADRP CO[C@@H]1[C@@H](C)[C@@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)C1(C)C ZINC000925787216 635306729 /nfs/dbraw/zinc/30/67/29/635306729.db2.gz XPHSBXSAMHJWAI-KSSYENDESA-N 2 0 240.391 1.491 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000925794406 635329105 /nfs/dbraw/zinc/32/91/05/635329105.db2.gz LLUPKDKEHUVZHP-XJFOESAGSA-N 3 0 239.407 1.339 20 0 BDADRP Cc1n[nH]cc1[C@@H](C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925798125 635336047 /nfs/dbraw/zinc/33/60/47/635336047.db2.gz PYOAZHJPYIIGNG-CKYFFXLPSA-N 2 0 236.363 1.614 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925803756 635353282 /nfs/dbraw/zinc/35/32/82/635353282.db2.gz UQHXJIYLXRDMQP-FRRDWIJNSA-N 3 0 227.396 1.339 20 0 BDADRP C[C@H]1CCC[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925812666 635367779 /nfs/dbraw/zinc/36/77/79/635367779.db2.gz XZOCEAOESFVFRI-WCQYABFASA-N 2 0 225.380 1.188 20 0 BDADRP CC[C@@H]1CCC[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925814914 635381396 /nfs/dbraw/zinc/38/13/96/635381396.db2.gz MYYDTUZQJULZPW-OCCSQVGLSA-N 2 0 239.407 1.578 20 0 BDADRP CC(C)[N@H+](C)CCNC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000054110661 635388850 /nfs/dbraw/zinc/38/88/50/635388850.db2.gz IFCBSUCQUYRUFG-AGUYFDCRSA-N 2 0 239.407 1.541 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000925856500 635548020 /nfs/dbraw/zinc/54/80/20/635548020.db2.gz JPUIMLILGKTPPC-GARJFASQSA-N 2 0 200.326 1.007 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccnnc1 ZINC000924961645 635808712 /nfs/dbraw/zinc/80/87/12/635808712.db2.gz AOIMHFZPTXPDGD-NSHDSACASA-N 2 0 234.347 1.469 20 0 BDADRP Cc1cc(NCC[NH+]2CCCCCC2)nc(N)[nH+]1 ZINC000221347345 636801767 /nfs/dbraw/zinc/80/17/67/636801767.db2.gz LWLPTCILMOCGJW-UHFFFAOYSA-N 2 0 249.362 1.655 20 0 BDADRP CON1CCC([NH2+]CCC[N@H+](C)C(C)C)CC1 ZINC000323462571 636967495 /nfs/dbraw/zinc/96/74/95/636967495.db2.gz HRCKUDFMXPPBRB-UHFFFAOYSA-N 2 0 243.395 1.332 20 0 BDADRP CC[NH+]1CCN(CC[NH2+]C(C)(C)C)CC1 ZINC000041227182 636976896 /nfs/dbraw/zinc/97/68/96/636976896.db2.gz ZFTSHHACFZWVSW-UHFFFAOYSA-N 2 0 213.369 1.012 20 0 BDADRP CC(C)(C[NH3+])Cn1cc([C@H]2CCCC[NH2+]2)nn1 ZINC000899718990 637126726 /nfs/dbraw/zinc/12/67/26/637126726.db2.gz MWNTZYFHWWNUCU-SNVBAGLBSA-N 2 0 237.351 1.078 20 0 BDADRP C(C[NH2+]C1CC1)CN1CC[NH+](CC2CC2)CC1 ZINC000042491051 637273131 /nfs/dbraw/zinc/27/31/31/637273131.db2.gz KGJRWAWHNANJBH-UHFFFAOYSA-N 2 0 237.391 1.156 20 0 BDADRP C[C@H](N[C@@H]1C[NH2+]CC1(C)C)[C@@H]1CCCC[NH2+]1 ZINC000902446456 637306625 /nfs/dbraw/zinc/30/66/25/637306625.db2.gz SYZQCKSPSHCGOX-SDDRHHMPSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903718506 637376840 /nfs/dbraw/zinc/37/68/40/637376840.db2.gz NZKKHWVNUBKFPV-MCIONIFRSA-N 2 0 238.375 1.629 20 0 BDADRP CC[C@@H]1CCC[N@@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903721989 637379748 /nfs/dbraw/zinc/37/97/48/637379748.db2.gz GSVIWTRPJXXNNY-MGPQQGTHSA-N 2 0 238.375 1.629 20 0 BDADRP CC(C)[N@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903721809 637379833 /nfs/dbraw/zinc/37/98/33/637379833.db2.gz FICFPJYMPAXXSB-KGLIPLIRSA-N 2 0 238.375 1.628 20 0 BDADRP CC(C)(C[NH3+])C1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000903788648 637381608 /nfs/dbraw/zinc/38/16/08/637381608.db2.gz BZJAQWOWUWZYIY-LBPRGKRZSA-N 3 0 239.407 1.293 20 0 BDADRP CC1CC(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)C1 ZINC000903789066 637383633 /nfs/dbraw/zinc/38/36/33/637383633.db2.gz UBTUCISRMNKBBZ-PYNQCMFNSA-N 2 0 210.365 1.949 20 0 BDADRP C(C1CC1)[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818291 637386096 /nfs/dbraw/zinc/38/60/96/637386096.db2.gz FPKBZEUAVLSQRT-UHFFFAOYSA-N 2 0 224.348 1.241 20 0 BDADRP CC[NH+](CC)CCCN1CCC[C@]12CC[NH2+]C2 ZINC000903866417 637387059 /nfs/dbraw/zinc/38/70/59/637387059.db2.gz IWMSIUDSGHCSSG-CQSZACIVSA-N 2 0 239.407 1.546 20 0 BDADRP C(CN1CC[C@]2(C1)CCCC[NH2+]2)[C@H]1CCOC1 ZINC000904430646 637399572 /nfs/dbraw/zinc/39/95/72/637399572.db2.gz RXZZUMVZSZRWOY-KBPBESRZSA-N 2 0 238.375 1.631 20 0 BDADRP CC(C)[C@@H](C[NH3+])CN1CC[C@]2(C1)CCCC[NH2+]2 ZINC000904430300 637400620 /nfs/dbraw/zinc/40/06/20/637400620.db2.gz QXLMYWAADGWIIA-KBPBESRZSA-N 2 0 239.407 1.435 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CN[C@H]1C[NH2+]CC1(C)C ZINC000904462316 637406159 /nfs/dbraw/zinc/40/61/59/637406159.db2.gz URHHYBRDANBFOT-NEPJUHHUSA-N 2 0 241.423 1.728 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)N[C@@H]1C[NH2+]CC1(C)C ZINC000904462569 637406643 /nfs/dbraw/zinc/40/66/43/637406643.db2.gz WKZVKRDAQGOHCZ-IJLUTSLNSA-N 2 0 225.380 1.105 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+][C@H]1COC[C@H]1C1CC1 ZINC000904477381 637428513 /nfs/dbraw/zinc/42/85/13/637428513.db2.gz VEMNJQIZDHDNPP-AVGNSLFASA-N 2 0 226.364 1.374 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000904931603 637534240 /nfs/dbraw/zinc/53/42/40/637534240.db2.gz LSFLBVWDPPMBCY-MFKMUULPSA-N 2 0 241.379 1.008 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000904931426 637534386 /nfs/dbraw/zinc/53/43/86/637534386.db2.gz KZRPTDBRMNHMOV-DGCLKSJQSA-N 2 0 241.379 1.234 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000904938041 637535824 /nfs/dbraw/zinc/53/58/24/637535824.db2.gz GKJXNQXUKPEPMQ-MDZLAQPJSA-N 2 0 241.379 1.090 20 0 BDADRP Cc1cc(C[NH2+][C@H]2C[C@H]([NH3+])C2)ccc1F ZINC000906508691 638181840 /nfs/dbraw/zinc/18/18/40/638181840.db2.gz UYJGEJYHTDSAPK-XYPYZODXSA-N 2 0 208.280 1.713 20 0 BDADRP [NH3+]C1CC(NCc2c(F)cccc2F)C1 ZINC000906509508 638182161 /nfs/dbraw/zinc/18/21/61/638182161.db2.gz GWSBYJDIQCMYAZ-UHFFFAOYSA-N 2 0 212.243 1.544 20 0 BDADRP CCN(C)c1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)cn1 ZINC000906518915 638188132 /nfs/dbraw/zinc/18/81/32/638188132.db2.gz UWXYAXVAVXZUSY-HAQNSBGRSA-N 2 0 234.347 1.117 20 0 BDADRP CC(C)(C)[C@H]([NH3+])CC(=O)Nc1cccc(C[NH3+])c1 ZINC000911647652 639701546 /nfs/dbraw/zinc/70/15/46/639701546.db2.gz DRGOBWOTISEZTG-GFCCVEGCSA-N 2 0 249.358 1.847 20 0 BDADRP [NH3+]Cc1cccc(NC(=O)C23CCC(CC2)[NH2+]3)c1 ZINC000911648894 639705401 /nfs/dbraw/zinc/70/54/01/639705401.db2.gz NKNTUSQTOQMKCK-UHFFFAOYSA-N 2 0 245.326 1.368 20 0 BDADRP C[NH2+]CCCCC(=O)Nc1ccccc1C[NH2+]C ZINC000911682083 639720243 /nfs/dbraw/zinc/72/02/43/639720243.db2.gz HZQXYGJFFBQXCX-UHFFFAOYSA-N 2 0 249.358 1.734 20 0 BDADRP CC[NH2+]CCCNC(=O)[C@](C)(C[NH3+])CC(C)C ZINC000911687892 639728582 /nfs/dbraw/zinc/72/85/82/639728582.db2.gz JFZUHCAEELUVKG-ZDUSSCGKSA-N 2 0 243.395 1.113 20 0 BDADRP CC[NH2+]CCCNC(=O)[C@@](C)(C[NH3+])CC(C)C ZINC000911687891 639729159 /nfs/dbraw/zinc/72/91/59/639729159.db2.gz JFZUHCAEELUVKG-CYBMUJFWSA-N 2 0 243.395 1.113 20 0 BDADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N1CCCC[C@H]1C[NH3+] ZINC000911722406 639744396 /nfs/dbraw/zinc/74/43/96/639744396.db2.gz ROHWDKYAIUTFCC-SRVKXCTJSA-N 2 0 241.379 1.090 20 0 BDADRP C[C@H](C1CC1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000930502212 639785871 /nfs/dbraw/zinc/78/58/71/639785871.db2.gz HLVQQXIZCVJSJC-CYBMUJFWSA-N 2 0 241.423 1.600 20 0 BDADRP C[NH2+]CCCCC(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000911829258 639840550 /nfs/dbraw/zinc/84/05/50/639840550.db2.gz IZIJFHMZZBJGEQ-CYBMUJFWSA-N 2 0 243.395 1.256 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)C[C@@H]([NH3+])CC(C)C ZINC000911883263 639866722 /nfs/dbraw/zinc/86/67/22/639866722.db2.gz XWWBHPVDWIAWSQ-NWDGAFQWSA-N 2 0 243.395 1.384 20 0 BDADRP C[C@@H]1[C@@H]([NH+](C)C)CCN1CC[NH+]1CCCC1 ZINC000931038230 640032690 /nfs/dbraw/zinc/03/26/90/640032690.db2.gz PGMVLSBJEJFAAM-OLZOCXBDSA-N 2 0 225.380 1.107 20 0 BDADRP COc1cccc(CN2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c1 ZINC000931279821 640131893 /nfs/dbraw/zinc/13/18/93/640131893.db2.gz HXSMYFCCZYYPJU-FICVDOATSA-N 2 0 246.354 1.687 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](CC[C@@H]3CCCO3)C[C@@H]2C1 ZINC000931437528 640199412 /nfs/dbraw/zinc/19/94/12/640199412.db2.gz RZAJPYUBJAUSSB-RDBSUJKOSA-N 2 0 238.375 1.439 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCCOC3)C[C@@H]2C1 ZINC000931435131 640201087 /nfs/dbraw/zinc/20/10/87/640201087.db2.gz HIANKQXXXSLMBT-MJBXVCDLSA-N 2 0 238.375 1.297 20 0 BDADRP CC[C@@H](C)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931434903 640202179 /nfs/dbraw/zinc/20/21/79/640202179.db2.gz AOTSPEFTFSOKSL-FRRDWIJNSA-N 2 0 210.365 1.916 20 0 BDADRP Cc1ccncc1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000931436790 640203723 /nfs/dbraw/zinc/20/37/23/640203723.db2.gz BNQNXPJMOOIHJU-HIFRSBDPSA-N 2 0 245.370 1.774 20 0 BDADRP CO[C@H]1CC[C@H]([N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)C1 ZINC000931435614 640203844 /nfs/dbraw/zinc/20/38/44/640203844.db2.gz BVHLQKKKNZAMSU-CRWXNKLISA-N 2 0 238.375 1.437 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)C1 ZINC000931442748 640205858 /nfs/dbraw/zinc/20/58/58/640205858.db2.gz NTSJTABGQRZJOT-IGQOVBAYSA-N 2 0 238.375 1.295 20 0 BDADRP Cc1cnc(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)nc1 ZINC000931439784 640207963 /nfs/dbraw/zinc/20/79/63/640207963.db2.gz NVYWMALYDXVASK-OLZOCXBDSA-N 2 0 246.358 1.169 20 0 BDADRP COC[C@@H](C)N1CCc2[nH+]ccc(N)c2C1 ZINC000931512540 640241700 /nfs/dbraw/zinc/24/17/00/640241700.db2.gz JHTVIRXOBWEDDM-SECBINFHSA-N 2 0 221.304 1.057 20 0 BDADRP C[N@@H+]1CC[C@H]2CN(CCOC3CC3)CC[C@@H]21 ZINC000931548279 640267126 /nfs/dbraw/zinc/26/71/26/640267126.db2.gz XXXFOQYURXEDJO-AAEUAGOBSA-N 2 0 224.348 1.191 20 0 BDADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2CC[NH+]1CCCC1 ZINC000931622065 640292164 /nfs/dbraw/zinc/29/21/64/640292164.db2.gz ODOPUORFFQVQME-UONOGXRCSA-N 2 0 237.391 1.251 20 0 BDADRP CC[C@H](CO)[NH+]1CCC(CC)([NH+]2CCC2)CC1 ZINC000931752475 640349352 /nfs/dbraw/zinc/34/93/52/640349352.db2.gz MTNQTNVFPFTXPC-CYBMUJFWSA-N 2 0 240.391 1.708 20 0 BDADRP C[NH+]1CCC(C[NH2+]C[C@H]2CCCO2)CC1 ZINC000044518369 640399199 /nfs/dbraw/zinc/39/91/99/640399199.db2.gz ZZRMZBHJGYUKAR-GFCCVEGCSA-N 2 0 212.337 1.097 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](C[C@@H]2COc3ccccc3O2)C1 ZINC000224217723 640605239 /nfs/dbraw/zinc/60/52/39/640605239.db2.gz OMQCBWFGSZSZIK-NWDGAFQWSA-N 2 0 248.326 1.107 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCc2cccs2)C1 ZINC000166225573 640622765 /nfs/dbraw/zinc/62/27/65/640622765.db2.gz YKBMRYUAWACJOY-MNOVXSKESA-N 2 0 224.373 1.960 20 0 BDADRP C1=CO[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000157452340 640685334 /nfs/dbraw/zinc/68/53/34/640685334.db2.gz SSZWOUTVAVIEGE-RDBSUJKOSA-N 2 0 236.359 1.896 20 0 BDADRP Cc1cncc(CN2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c1 ZINC000933732247 640753074 /nfs/dbraw/zinc/75/30/74/640753074.db2.gz HNIJDZBTYWEACS-CABCVRRESA-N 2 0 245.370 1.774 20 0 BDADRP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3CCCOC3)C[C@]2(C)C1 ZINC000933739099 640757629 /nfs/dbraw/zinc/75/76/29/640757629.db2.gz BXANWFQGGXCURT-MJBXVCDLSA-N 2 0 238.375 1.297 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](CCCCCCO)CC1 ZINC000226420144 640762285 /nfs/dbraw/zinc/76/22/85/640762285.db2.gz IQZZQZOHSLLYKU-GFCCVEGCSA-N 2 0 228.380 1.598 20 0 BDADRP C[C@@H]1C[N@H+](CCCCCCO)CC[C@@H]1[NH3+] ZINC000226422443 640763311 /nfs/dbraw/zinc/76/33/11/640763311.db2.gz RWYDUPBVLPSSCA-NEPJUHHUSA-N 2 0 214.353 1.208 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCCCCCO ZINC000227257723 640822100 /nfs/dbraw/zinc/82/21/00/640822100.db2.gz VQFBFKWTHTVWJW-NEPJUHHUSA-N 2 0 214.353 1.351 20 0 BDADRP C[NH+]1CCC(C[NH2+]C[C@H]2CC[C@H](O)C2)CC1 ZINC000227558823 640840443 /nfs/dbraw/zinc/84/04/43/640840443.db2.gz HMZZXXZSTDYZGN-STQMWFEESA-N 2 0 226.364 1.079 20 0 BDADRP C[NH+]1CCC(C[NH2+]C[C@@H]2CC[C@@H](O)C2)CC1 ZINC000227558806 640841105 /nfs/dbraw/zinc/84/11/05/640841105.db2.gz HMZZXXZSTDYZGN-CHWSQXEVSA-N 2 0 226.364 1.079 20 0 BDADRP C[NH+]1CCC(C[NH2+]C[C@H]2CC[C@@H](O)C2)CC1 ZINC000227558810 640841496 /nfs/dbraw/zinc/84/14/96/640841496.db2.gz HMZZXXZSTDYZGN-QWHCGFSZSA-N 2 0 226.364 1.079 20 0 BDADRP Cc1c[nH+]ccc1N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000169099897 640842099 /nfs/dbraw/zinc/84/20/99/640842099.db2.gz FOFLSIKXRJGMGC-NEPJUHHUSA-N 2 0 217.316 1.721 20 0 BDADRP C[NH+]1CCC(C[NH2+]CC(C)(C)CCCO)CC1 ZINC000227921128 640853625 /nfs/dbraw/zinc/85/36/25/640853625.db2.gz LUHYTBBBFFEGGF-UHFFFAOYSA-N 2 0 242.407 1.717 20 0 BDADRP CCSCC[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229089442 640921357 /nfs/dbraw/zinc/92/13/57/640921357.db2.gz GSDVLQOPYKUWTK-MNOVXSKESA-N 2 0 216.394 1.656 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@]2(C)CCOC2)CC1 ZINC000229448134 640956990 /nfs/dbraw/zinc/95/69/90/640956990.db2.gz SQEDSCZZRVFIBT-GFCCVEGCSA-N 2 0 212.337 1.097 20 0 BDADRP CN(CCNC(=[NH2+])NC1CCCCC1)C1CC1 ZINC000062010568 641014825 /nfs/dbraw/zinc/01/48/25/641014825.db2.gz GGYSYFCCEFEQFE-UHFFFAOYSA-N 2 0 238.379 1.527 20 0 BDADRP C[C@@H](C[NH2+][C@@H]1CCSC1)C[NH+]1CCCC1 ZINC000062077972 641017684 /nfs/dbraw/zinc/01/76/84/641017684.db2.gz NQXHLOLIGDCGFR-NWDGAFQWSA-N 2 0 228.405 1.813 20 0 BDADRP CO[C@H]1C[N@H+](CCCCCC[NH3+])CC[C@@H]1C ZINC000230310895 641046433 /nfs/dbraw/zinc/04/64/33/641046433.db2.gz MWWSVRWSTXDBEC-STQMWFEESA-N 2 0 228.380 1.862 20 0 BDADRP CN(Cc1cnn(C)c1)C[C@@]1(C)CCC[NH2+]C1 ZINC000062862523 641101380 /nfs/dbraw/zinc/10/13/80/641101380.db2.gz LTYDNAHPKQJWIL-ZDUSSCGKSA-N 2 0 236.363 1.242 20 0 BDADRP C[C@]1(C[NH2+]C[C@@H]2CCCO2)CCC[NH2+]C1 ZINC000062862299 641102038 /nfs/dbraw/zinc/10/20/38/641102038.db2.gz CKQGKNZSKRGYIF-RYUDHWBXSA-N 2 0 212.337 1.145 20 0 BDADRP CC(C)[C@H](CCO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000231072323 641136586 /nfs/dbraw/zinc/13/65/86/641136586.db2.gz GMWZRWSJVLPFRM-GSPSYOTPSA-N 2 0 240.391 1.608 20 0 BDADRP COC(=O)CC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063200624 641144182 /nfs/dbraw/zinc/14/41/82/641144182.db2.gz XNDDAEOETJUOTJ-GFCCVEGCSA-N 2 0 240.347 1.014 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000232148468 641249820 /nfs/dbraw/zinc/24/98/20/641249820.db2.gz SZVOCQACKZHWRI-KGLIPLIRSA-N 2 0 240.391 1.469 20 0 BDADRP C[N@H+](CCCF)CCC1CC[NH2+]CC1 ZINC000088027754 641256720 /nfs/dbraw/zinc/25/67/20/641256720.db2.gz RNZNGYYKIDLFOH-UHFFFAOYSA-N 2 0 202.317 1.668 20 0 BDADRP C[C@@H]1C[C@@H]1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261553188 641444550 /nfs/dbraw/zinc/44/45/50/641444550.db2.gz SHGKIVNOEZGYBT-PNKOWGENSA-N 2 0 208.349 1.857 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2COCC2(C)C)C1 ZINC000313009958 641525623 /nfs/dbraw/zinc/52/56/23/641525623.db2.gz SZRFUBPNDZCFPW-CHWSQXEVSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCOC1 ZINC000158632413 641644177 /nfs/dbraw/zinc/64/41/77/641644177.db2.gz XDSIQZOJNYVYNQ-QCNOEVLYSA-N 2 0 212.337 1.128 20 0 BDADRP CC[NH+]1CCN(CCC[NH2+]CC(C)C)CC1 ZINC000047892519 641665929 /nfs/dbraw/zinc/66/59/29/641665929.db2.gz VMXVUPDKPQGZBZ-UHFFFAOYSA-N 2 0 227.396 1.260 20 0 BDADRP CC1(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])CCOCC1 ZINC000233028025 642646487 /nfs/dbraw/zinc/64/64/87/642646487.db2.gz RESQARMMQDRHCN-STQMWFEESA-N 2 0 240.391 1.910 20 0 BDADRP CCO[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000233754111 642690728 /nfs/dbraw/zinc/69/07/28/642690728.db2.gz HAGJFAPKIIXKGO-FRRDWIJNSA-N 2 0 226.364 1.343 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH2+]CC2)C1(C)C ZINC000233768715 642694633 /nfs/dbraw/zinc/69/46/33/642694633.db2.gz DCYAHDZGSJRFIQ-NEPJUHHUSA-N 2 0 226.364 1.532 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]CC2([NH3+])CC2)C1(C)C ZINC000233782982 642695254 /nfs/dbraw/zinc/69/52/54/642695254.db2.gz IIASQRCDESJCGX-NXEZZACHSA-N 2 0 212.337 1.271 20 0 BDADRP C[NH+](C)CCSCC[NH+]1CCCC1 ZINC000007056137 643149074 /nfs/dbraw/zinc/14/90/74/643149074.db2.gz SGQBUYTXUWIEQP-UHFFFAOYSA-N 2 0 202.367 1.377 20 0 BDADRP CC[C@@H](CCO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000183870438 643176392 /nfs/dbraw/zinc/17/63/92/643176392.db2.gz QPKFCELMIFNWBM-WODVXLOZSA-N 2 0 226.364 1.362 20 0 BDADRP CCOCC[N@H+](CC)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000233739301 643242484 /nfs/dbraw/zinc/24/24/84/643242484.db2.gz NSWIHJXJOAPJLB-QWHCGFSZSA-N 2 0 228.380 1.733 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](C/C=C/Cl)CC1 ZINC000082474969 643319276 /nfs/dbraw/zinc/31/92/76/643319276.db2.gz BLFRYMJAYWTYSO-OSOUNJMWSA-N 2 0 202.729 1.798 20 0 BDADRP CN(CCC[NH2+]C1CCCC1)CC[NH+](C)C ZINC000082543956 643339466 /nfs/dbraw/zinc/33/94/66/643339466.db2.gz JHHGPYILCCWGAG-UHFFFAOYSA-N 2 0 227.396 1.402 20 0 BDADRP CCC1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000082560594 643342709 /nfs/dbraw/zinc/34/27/09/643342709.db2.gz QXSLJMHULQQJTD-YPMHNXCESA-N 2 0 210.365 1.964 20 0 BDADRP CC(C)C[N@H+](C[C@@H]1C[NH2+]C[C@H]1C)C1CC1 ZINC000082560726 643342835 /nfs/dbraw/zinc/34/28/35/643342835.db2.gz XUEFITRHSTZLMP-NEPJUHHUSA-N 2 0 210.365 1.962 20 0 BDADRP CCC(CC)[N@H+](CCOC)C[C@@H]1C[NH2+]C[C@H]1C ZINC000232903035 643345210 /nfs/dbraw/zinc/34/52/10/643345210.db2.gz GJYXXJMCRTWHSF-OLZOCXBDSA-N 2 0 242.407 1.979 20 0 BDADRP [NH3+]CCCCCCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000843387051 643363430 /nfs/dbraw/zinc/36/34/30/643363430.db2.gz OAJCNBXGBAPRDE-ZIAGYGMSSA-N 3 0 239.407 1.579 20 0 BDADRP ClC1(Cl)C[C@@H]1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000306998180 643384081 /nfs/dbraw/zinc/38/40/81/643384081.db2.gz XURMQYZWIPQORB-HRDYMLBCSA-N 2 0 235.158 1.331 20 0 BDADRP C1SCC1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000307279699 643427816 /nfs/dbraw/zinc/42/78/16/643427816.db2.gz XPJCZGMMLGDIPQ-GXSJLCMTSA-N 2 0 212.362 1.318 20 0 BDADRP C1SCC1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000307279700 643428165 /nfs/dbraw/zinc/42/81/65/643428165.db2.gz XPJCZGMMLGDIPQ-KOLCDFICSA-N 2 0 212.362 1.318 20 0 BDADRP c1csc(CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000082303813 643510724 /nfs/dbraw/zinc/51/07/24/643510724.db2.gz IXCOFQANGUOLFT-PHIMTYICSA-N 2 0 222.357 1.442 20 0 BDADRP CCO[C@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000085015348 643522845 /nfs/dbraw/zinc/52/28/45/643522845.db2.gz RMBWUWHQAANPMB-AGIUHOORSA-N 2 0 226.364 1.615 20 0 BDADRP Cc1cc(NC2CC[NH+](C3CC3)CC2)nc(N)[nH+]1 ZINC000043534113 643527330 /nfs/dbraw/zinc/52/73/30/643527330.db2.gz AEXJBLQMZFJIMP-UHFFFAOYSA-N 2 0 247.346 1.406 20 0 BDADRP Cc1ncsc1C[NH2+]C1CCC([NH3+])CC1 ZINC000084149381 643551225 /nfs/dbraw/zinc/55/12/25/643551225.db2.gz CJBLLLSZHBDYCD-UHFFFAOYSA-N 2 0 225.361 1.811 20 0 BDADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc[nH]c(=O)c2)C1 ZINC000921580681 643614181 /nfs/dbraw/zinc/61/41/81/643614181.db2.gz FPVIZJXWTSZWPK-ZDUSSCGKSA-N 2 0 249.358 1.609 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000084220964 643650260 /nfs/dbraw/zinc/65/02/60/643650260.db2.gz GOCIWWDFYQOGSE-CHWSQXEVSA-N 3 0 225.380 1.045 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccsc1 ZINC000084221814 643650287 /nfs/dbraw/zinc/65/02/87/643650287.db2.gz BMEHSTKLWRZWMZ-GHMZBOCLSA-N 2 0 210.346 1.965 20 0 BDADRP CCC(O)(CC)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000084217111 643650552 /nfs/dbraw/zinc/65/05/52/643650552.db2.gz WEOMTNRBDDMMPF-VXGBXAGGSA-N 2 0 228.380 1.645 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](CCCCCC[NH3+])C[C@@H]1C[NH3+] ZINC000846222447 643652531 /nfs/dbraw/zinc/65/25/31/643652531.db2.gz CTTNEWAQPHSHPG-RDBSUJKOSA-N 3 0 241.423 1.811 20 0 BDADRP CC[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000085014649 643679319 /nfs/dbraw/zinc/67/93/19/643679319.db2.gz NTBNJGMSUQPWMZ-WOPDTQHZSA-N 2 0 212.337 1.225 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cncs3)C[C@@H]21 ZINC000230126246 643767188 /nfs/dbraw/zinc/76/71/88/643767188.db2.gz SSFLHKJCCXDLLQ-ZMLRMANQSA-N 2 0 237.372 1.702 20 0 BDADRP C[C@H](C[NH2+]Cc1cc[nH]c(=O)c1)C[NH+](C)C ZINC000922139425 643870264 /nfs/dbraw/zinc/87/02/64/643870264.db2.gz ICVVKNBALLBFFN-SNVBAGLBSA-N 2 0 223.320 1.075 20 0 BDADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCCCCCO ZINC000228659108 644140400 /nfs/dbraw/zinc/14/04/00/644140400.db2.gz OXVMYWUBVQFXLJ-NWDGAFQWSA-N 2 0 214.353 1.208 20 0 BDADRP C[NH+](C)C[C@H]1CC[N@H+](C[Si](C)(C)C)C1 ZINC000172196865 644177292 /nfs/dbraw/zinc/17/72/92/644177292.db2.gz FLYRLBFZVVOOMM-LLVKDONJSA-N 2 0 214.429 1.747 20 0 BDADRP COC[C@H]1CC[N@H+](CCCCCCC[NH3+])C1 ZINC000081069391 644307548 /nfs/dbraw/zinc/30/75/48/644307548.db2.gz SPEHVKRYTLRXED-ZDUSSCGKSA-N 2 0 228.380 1.864 20 0 BDADRP CN(CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CC[NH2+]C1 ZINC000923288353 644320205 /nfs/dbraw/zinc/32/02/05/644320205.db2.gz VSPYUQXXCJKQPH-WTUNAVPPSA-N 2 0 237.391 1.201 20 0 BDADRP CCCCCC[C@H](O)C[N@H+](C)CCC[NH3+] ZINC000923291763 644330467 /nfs/dbraw/zinc/33/04/67/644330467.db2.gz RUZMPYOEIPVMOH-LBPRGKRZSA-N 2 0 216.369 1.598 20 0 BDADRP C[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CCCC1 ZINC000923302360 644337555 /nfs/dbraw/zinc/33/75/55/644337555.db2.gz WEMSJTADNBWBHN-LBPRGKRZSA-N 2 0 224.348 1.239 20 0 BDADRP C[N@H+](CC1CCCCC1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923301442 644338116 /nfs/dbraw/zinc/33/81/16/644338116.db2.gz SQHZNDQDWZPRLJ-AVGNSLFASA-N 2 0 226.364 1.349 20 0 BDADRP C[C@@H]1CCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923298415 644338216 /nfs/dbraw/zinc/33/82/16/644338216.db2.gz BSVPJNKUONQCGZ-VXGBXAGGSA-N 2 0 224.348 1.097 20 0 BDADRP CC[C@@H](C)C[N@H+](CC)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923315727 644344521 /nfs/dbraw/zinc/34/45/21/644344521.db2.gz YXTWXOYDBYFTNP-RHYQMDGZSA-N 2 0 214.353 1.205 20 0 BDADRP CC1(C)CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923311996 644347229 /nfs/dbraw/zinc/34/72/29/644347229.db2.gz FINXPTAYTNTMII-LBPRGKRZSA-N 2 0 238.375 1.487 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCC[NH2+]C3CC3)C[C@@H]21 ZINC000923330699 644349409 /nfs/dbraw/zinc/34/94/09/644349409.db2.gz CEPGNAFHQXUFHS-FPMFFAJLSA-N 3 0 237.391 1.188 20 0 BDADRP C[C@H]1C[C@H](N(C)CCC[NH2+]C2CC2)CC[N@@H+]1C ZINC000923324339 644351420 /nfs/dbraw/zinc/35/14/20/644351420.db2.gz FKXSEZODCNLUIZ-GXTWGEPZSA-N 2 0 239.407 1.543 20 0 BDADRP CCc1ncc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)o1 ZINC000923333402 644355702 /nfs/dbraw/zinc/35/57/02/644355702.db2.gz QOVMZNYVLZJOMD-CYZMBNFOSA-N 2 0 249.358 1.796 20 0 BDADRP [NH3+]C1(C[NH2+]C[C@H](O)CCc2ccccc2)CCC1 ZINC000923331979 644360828 /nfs/dbraw/zinc/36/08/28/644360828.db2.gz JTGKCBZLMYXZFI-CQSZACIVSA-N 2 0 248.370 1.451 20 0 BDADRP C[C@H](NC(C[NH3+])C[NH3+])c1ccc2ccccc2c1 ZINC000923351390 644367980 /nfs/dbraw/zinc/36/79/80/644367980.db2.gz KLCLRVUWVQJENE-NSHDSACASA-N 2 0 243.354 1.776 20 0 BDADRP CC[C@H](O)C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000923353934 644368819 /nfs/dbraw/zinc/36/88/19/644368819.db2.gz OFBPGGUXEOQJJX-ZDUSSCGKSA-N 2 0 228.380 1.598 20 0 BDADRP CC[C@H](NC(C[NH3+])C[NH3+])c1ccc(F)cc1 ZINC000923351864 644369885 /nfs/dbraw/zinc/36/98/85/644369885.db2.gz OTTRLXDPEGCZNQ-LBPRGKRZSA-N 2 0 225.311 1.152 20 0 BDADRP CC[N@@H+]1C[C@H](C)N(CCC[NH2+]C2CC2)C[C@H]1C ZINC000923373851 644389686 /nfs/dbraw/zinc/38/96/86/644389686.db2.gz UQMUCWUOQCTHSW-OLZOCXBDSA-N 2 0 239.407 1.543 20 0 BDADRP C[C@@H]([NH2+][C@H]1C[C@H]([NH3+])C[C@@H]1O)C1CCCC1 ZINC000923377043 644391140 /nfs/dbraw/zinc/39/11/40/644391140.db2.gz IBEYPCHLMAZUQA-QTKMDUPCSA-N 2 0 212.337 1.005 20 0 BDADRP C[C@@H]1C[C@H](C)N(CCC[NH2+]C2CC2)C[C@@H]1C[NH3+] ZINC000923382694 644393704 /nfs/dbraw/zinc/39/37/04/644393704.db2.gz MOTLHPZHHFPYSX-AGIUHOORSA-N 2 0 239.407 1.434 20 0 BDADRP C(C[NH2+]C1CC1)CN1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000923415849 644408879 /nfs/dbraw/zinc/40/88/79/644408879.db2.gz WSDFFJGPIUPDAE-OCCSQVGLSA-N 2 0 237.391 1.202 20 0 BDADRP C(CN1C[C@H]2CC[C@@H](C1)[NH2+]2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923413591 644415873 /nfs/dbraw/zinc/41/58/73/644415873.db2.gz RLMUFINJOFCFHK-LFAHVKQVSA-N 2 0 249.402 1.343 20 0 BDADRP C(CN[C@H]1CC[NH2+]C12CCCC2)C[NH2+]C1CC1 ZINC000923428223 644421372 /nfs/dbraw/zinc/42/13/72/644421372.db2.gz NXKNSNJMDOHFSM-ZDUSSCGKSA-N 2 0 237.391 1.393 20 0 BDADRP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(CSC)CC1 ZINC000923448974 644431211 /nfs/dbraw/zinc/43/12/11/644431211.db2.gz XMIIXSJBFLWBSR-GFCCVEGCSA-N 2 0 246.420 1.032 20 0 BDADRP c1ccc([C@H]2C[C@H]2N2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000923459740 644435236 /nfs/dbraw/zinc/43/52/36/644435236.db2.gz DXKULICPHFKDMR-HUUCEWRRSA-N 2 0 245.370 1.037 20 0 BDADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](C/C=C\Cl)CC2 ZINC000923452038 644441228 /nfs/dbraw/zinc/44/12/28/644441228.db2.gz OCXFWNBMOFUGGZ-WYEHYUNLSA-N 2 0 244.766 1.569 20 0 BDADRP CC[C@@H](C)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923452162 644442138 /nfs/dbraw/zinc/44/21/38/644442138.db2.gz RWUUHXQKVQYHGS-VXGBXAGGSA-N 2 0 226.364 1.615 20 0 BDADRP C[C@@H]1C[N@H+](C/C=C\Cl)CC[C@H]1C[NH3+] ZINC000923495426 644462270 /nfs/dbraw/zinc/46/22/70/644462270.db2.gz VKROSHKGTMTVDJ-IMDSDMBUSA-N 2 0 202.729 1.656 20 0 BDADRP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)nc1 ZINC000923495540 644463116 /nfs/dbraw/zinc/46/31/16/644463116.db2.gz BZFJDAHFQANYCJ-STQMWFEESA-N 2 0 233.359 1.807 20 0 BDADRP Cc1cnccc1C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923490288 644464782 /nfs/dbraw/zinc/46/47/82/644464782.db2.gz MINIEARGFDZINX-CHWSQXEVSA-N 2 0 233.359 1.807 20 0 BDADRP Cc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c(C)nn1 ZINC000923490556 644465311 /nfs/dbraw/zinc/46/53/11/644465311.db2.gz DNLNAHJCOMEJAH-GWCFXTLKSA-N 2 0 248.374 1.510 20 0 BDADRP CCO[C@H](C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1)C1CC1 ZINC000923489800 644465417 /nfs/dbraw/zinc/46/54/17/644465417.db2.gz LCHSPWCCKRFWQT-MRVWCRGKSA-N 2 0 240.391 1.718 20 0 BDADRP Cc1nnsc1C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923488385 644465734 /nfs/dbraw/zinc/46/57/34/644465734.db2.gz DYOABZJFPNGBPJ-WCBMZHEXSA-N 2 0 240.376 1.263 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1)C1CCC1 ZINC000923488929 644465829 /nfs/dbraw/zinc/46/58/29/644465829.db2.gz IFISRAFHWNFFLO-FPMFFAJLSA-N 2 0 240.391 1.718 20 0 BDADRP Cc1nccnc1C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923491031 644465985 /nfs/dbraw/zinc/46/59/85/644465985.db2.gz QBAUHZNULNOFKG-ZYHUDNBSSA-N 2 0 234.347 1.202 20 0 BDADRP COC1CC(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)C1 ZINC000923491935 644467116 /nfs/dbraw/zinc/46/71/16/644467116.db2.gz VIAKSFPDYTWUKP-CQLXCSJHSA-N 2 0 226.364 1.328 20 0 BDADRP CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923491973 644467824 /nfs/dbraw/zinc/46/78/24/644467824.db2.gz LODROAWEJYRNKU-LPWJVIDDSA-N 2 0 210.365 1.949 20 0 BDADRP COc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)on1 ZINC000923492923 644468502 /nfs/dbraw/zinc/46/85/02/644468502.db2.gz ZMHBXMOQILXSKJ-UWVGGRQHSA-N 2 0 239.319 1.100 20 0 BDADRP [NH3+]CCCOC1CC[NH+](C/C=C/Cl)CC1 ZINC000086723899 644469392 /nfs/dbraw/zinc/46/93/92/644469392.db2.gz YXARWLXZDSFYEY-ORCRQEGFSA-N 2 0 232.755 1.569 20 0 BDADRP C[C@@H]1C[N@H+](CCC[NH2+]C2CC2)CC[C@@H]1C[NH3+] ZINC000923494527 644469597 /nfs/dbraw/zinc/46/95/97/644469597.db2.gz YLXVZBFQQZDRSK-VXGBXAGGSA-N 3 0 225.380 1.045 20 0 BDADRP Cc1noc(C)c1C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923502572 644470087 /nfs/dbraw/zinc/47/00/87/644470087.db2.gz CASQSXVWFDLHNS-JOYOIKCWSA-N 2 0 237.347 1.708 20 0 BDADRP C[C@H]1C[N@H+](CCc2ccns2)CC[C@H]1C[NH3+] ZINC000923494069 644470095 /nfs/dbraw/zinc/47/00/95/644470095.db2.gz VNXDWOFOAZOSRN-QWRGUYRKSA-N 2 0 239.388 1.602 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccnc(N)c2)CC[C@@H]1C[NH3+] ZINC000923497540 644473209 /nfs/dbraw/zinc/47/32/09/644473209.db2.gz LZZKQOHSOLOXTD-ZYHUDNBSSA-N 2 0 234.347 1.081 20 0 BDADRP C[C@H]1C[N@H+](CCOCC(F)F)CC[C@H]1C[NH3+] ZINC000923501653 644474580 /nfs/dbraw/zinc/47/45/80/644474580.db2.gz RUQPNQNBBBXVCY-UWVGGRQHSA-N 2 0 236.306 1.185 20 0 BDADRP C[C@@H](O)C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923508696 644477013 /nfs/dbraw/zinc/47/70/13/644477013.db2.gz MKVSAWVRMIYEND-CHWSQXEVSA-N 2 0 240.391 1.469 20 0 BDADRP CC1(C)CO[C@@H](C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000923515841 644479659 /nfs/dbraw/zinc/47/96/59/644479659.db2.gz OFXMKFZGWCXZGU-YNEHKIRRSA-N 2 0 238.375 1.343 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923522693 644487303 /nfs/dbraw/zinc/48/73/03/644487303.db2.gz YUWWBSHXYGIADA-QWHCGFSZSA-N 3 0 225.380 1.047 20 0 BDADRP CC(C)C[C@@H]1C[N@H+](C)CCN1C[C@H]1CC[NH2+]C1 ZINC000923557677 644501273 /nfs/dbraw/zinc/50/12/73/644501273.db2.gz NESZQLVPTCYHNN-UONOGXRCSA-N 2 0 239.407 1.258 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCCCCO)[C@@H](C)C1 ZINC000245916614 644553457 /nfs/dbraw/zinc/55/34/57/644553457.db2.gz QCAFRSAZADTSRW-UONOGXRCSA-N 2 0 242.407 1.859 20 0 BDADRP [NH3+]C1CCN(CC[NH2+]C(C2CC2)C2CC2)CC1 ZINC000092721355 644666439 /nfs/dbraw/zinc/66/64/39/644666439.db2.gz DTIOMZWMHVQGON-UHFFFAOYSA-N 2 0 237.391 1.188 20 0 BDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H](C)[NH+](C)C ZINC000093515896 644691480 /nfs/dbraw/zinc/69/14/80/644691480.db2.gz LPMAQGBRHRTDQK-MGPQQGTHSA-N 2 0 241.423 1.837 20 0 BDADRP c1cnn(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000093452813 644691615 /nfs/dbraw/zinc/69/16/15/644691615.db2.gz LMZKQSRGHPFMTO-MJBXVCDLSA-N 2 0 248.374 1.393 20 0 BDADRP Cc1ccc(O)c(C[N@@H+](C)CC(C)(C)C[NH3+])n1 ZINC000093873202 644702051 /nfs/dbraw/zinc/70/20/51/644702051.db2.gz SOHAXQZRXAACPT-UHFFFAOYSA-N 2 0 237.347 1.512 20 0 BDADRP C[C@H]([NH3+])CCC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000248880304 644704288 /nfs/dbraw/zinc/70/42/88/644704288.db2.gz SEKVQVWPQIWMOD-TUAOUCFPSA-N 2 0 241.379 1.055 20 0 BDADRP Cc1ccc(O)c(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)n1 ZINC000094339205 644716959 /nfs/dbraw/zinc/71/69/59/644716959.db2.gz MCKSRWCYJAFQIG-KOLCDFICSA-N 2 0 235.331 1.265 20 0 BDADRP CO[C@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000250598268 644769829 /nfs/dbraw/zinc/76/98/29/644769829.db2.gz JHMUZKBZONZGNM-GTGGMXTKSA-N 2 0 238.375 1.769 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000251187414 644795392 /nfs/dbraw/zinc/79/53/92/644795392.db2.gz ADVYWARKJGOFNL-TUAOUCFPSA-N 2 0 214.353 1.255 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(C)C2)[C@@H](C)C1 ZINC000252709387 644887732 /nfs/dbraw/zinc/88/77/32/644887732.db2.gz CTSPHQPWKALSII-AVGNSLFASA-N 2 0 225.380 1.010 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@H]2CC[C@H](O)CC2)CC1 ZINC000253134219 644938519 /nfs/dbraw/zinc/93/85/19/644938519.db2.gz QNSPBBNOQMUFLS-JOCQHMNTSA-N 2 0 226.364 1.221 20 0 BDADRP CC[NH+]1CCC(CC[NH2+]C[C@H](O)C2CC2)CC1 ZINC000819106089 645005322 /nfs/dbraw/zinc/00/53/22/645005322.db2.gz MGYBXLQZOQCDIW-AWEZNQCLSA-N 2 0 240.391 1.469 20 0 BDADRP CC(C)(C)[C@H](C[NH3+])NC(=O)CCCCCC[NH3+] ZINC000841856477 645230198 /nfs/dbraw/zinc/23/01/98/645230198.db2.gz OCUULJWRIDEPLP-NSHDSACASA-N 2 0 243.395 1.385 20 0 BDADRP CC[C@@H]1COC[C@@H]1[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000926573765 645292226 /nfs/dbraw/zinc/29/22/26/645292226.db2.gz PNZBZOLUZRJCFZ-MCIONIFRSA-N 2 0 240.391 1.733 20 0 BDADRP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCCOC2)C[C@@H]([NH3+])C1 ZINC000925485431 645318400 /nfs/dbraw/zinc/31/84/00/645318400.db2.gz MXRZTCOJAXSDDS-XQQFMLRXSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@H]([NH2+]CC[C@]1(C)C[C@@]1(F)Cl)C1C[NH2+]C1 ZINC000844926634 645350387 /nfs/dbraw/zinc/35/03/87/645350387.db2.gz ZWOHHPCNPFDODU-GDPRMGEGSA-N 2 0 234.746 1.889 20 0 BDADRP C[C@H]([NH2+]CC[C@]1(C)C[C@]1(F)Cl)C1C[NH2+]C1 ZINC000844926637 645350577 /nfs/dbraw/zinc/35/05/77/645350577.db2.gz ZWOHHPCNPFDODU-JMJZKYOTSA-N 2 0 234.746 1.889 20 0 BDADRP C[C@@H]1C[C@H]1[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925488173 645503167 /nfs/dbraw/zinc/50/31/67/645503167.db2.gz BTELVZZLZRWPQV-JCIQBVFBSA-N 2 0 208.349 1.761 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)[C@@H]([NH3+])CC2CC2)c1 ZINC000884370429 645874521 /nfs/dbraw/zinc/87/45/21/645874521.db2.gz JKDINXKXVXKDEO-ZDUSSCGKSA-N 2 0 247.342 1.520 20 0 BDADRP CC[C@H](C)[N@H+](C)CCNC(=[NH2+])NCC(C)C ZINC000221886305 645894251 /nfs/dbraw/zinc/89/42/51/645894251.db2.gz UXNYVTNQOPPPGM-NSHDSACASA-N 2 0 228.384 1.487 20 0 BDADRP CC[NH+](CC)CCN[C@H]1CC[NH2+]C12CCCC2 ZINC000925501044 645944061 /nfs/dbraw/zinc/94/40/61/645944061.db2.gz GVOBAVNKCFWGRT-ZDUSSCGKSA-N 2 0 239.407 1.593 20 0 BDADRP CC[C@@H](CO)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000929282202 646058764 /nfs/dbraw/zinc/05/87/64/646058764.db2.gz JAYYABNCLOYMOH-LBPRGKRZSA-N 2 0 214.353 1.031 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCC[NH+]1CCCC1 ZINC000924561885 646069326 /nfs/dbraw/zinc/06/93/26/646069326.db2.gz PDVXDXMPPMOKPO-PBWFPOADSA-N 2 0 237.391 1.012 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H](C)C(C)(C)CO)CC1 ZINC000924578779 646073356 /nfs/dbraw/zinc/07/33/56/646073356.db2.gz QWWNGLFUYUUJIU-GFCCVEGCSA-N 2 0 242.407 1.857 20 0 BDADRP COCC[N@H+](C)CCC[NH2+]C1[C@H](C)CC[C@H]1C ZINC000924652527 646086347 /nfs/dbraw/zinc/08/63/47/646086347.db2.gz AXLIOFXKLKJWSS-CHWSQXEVSA-N 2 0 242.407 1.979 20 0 BDADRP C[C@H]1COC[C@H]1[NH2+]CCCCNc1ccccn1 ZINC000924927697 646134730 /nfs/dbraw/zinc/13/47/30/646134730.db2.gz QQWPIPBQLIQUHC-QWHCGFSZSA-N 2 0 249.358 1.898 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@]1(C)CCOC1 ZINC000925052092 646169443 /nfs/dbraw/zinc/16/94/43/646169443.db2.gz AEQRNGUPVRLMOZ-PIGZVRMJSA-N 2 0 238.375 1.343 20 0 BDADRP CC(C)CC[NH+]1CCC([NH2+][C@@H](C)CO)CC1 ZINC000925159772 646196839 /nfs/dbraw/zinc/19/68/39/646196839.db2.gz DOAGSKXHYXPILF-LBPRGKRZSA-N 2 0 228.380 1.467 20 0 BDADRP CCOCCCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925482032 646294532 /nfs/dbraw/zinc/29/45/32/646294532.db2.gz STMHYIJNELKIML-GFCCVEGCSA-N 2 0 226.364 1.677 20 0 BDADRP C[C@H]([NH3+])[C@H](NCCC[NH+](C)C)c1ccccc1 ZINC000925500650 646303229 /nfs/dbraw/zinc/30/32/29/646303229.db2.gz DJNIYLKMQTWAQR-JSGCOSHPSA-N 2 0 235.375 1.616 20 0 BDADRP C[C@H]([NH3+])[C@H](NCC[NH+]1CCCC1)c1ccccc1 ZINC000925509864 646309490 /nfs/dbraw/zinc/30/94/90/646309490.db2.gz RJELIEFRWMHDAZ-ZFWWWQNUSA-N 2 0 247.386 1.760 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccon1 ZINC000925531667 646319886 /nfs/dbraw/zinc/31/98/86/646319886.db2.gz SBGMDRARBXOZHV-GJYTXDDASA-N 2 0 221.304 1.280 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2C[C@H]([NH3+])C23CCC3)C[N@@H+]1C1CC1 ZINC000925544276 646324617 /nfs/dbraw/zinc/32/46/17/646324617.db2.gz ZBDDQGOTZYMHOB-UVLXDEKHSA-N 2 0 249.402 1.471 20 0 BDADRP CC1(C)C[C@@H]([NH2+][C@@H]2CCCOC2)C[C@@H]([NH3+])C1 ZINC000925550331 646327080 /nfs/dbraw/zinc/32/70/80/646327080.db2.gz RARCWEWMCZTOLB-UTUOFQBUSA-N 2 0 226.364 1.661 20 0 BDADRP COCCCC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925551620 646329501 /nfs/dbraw/zinc/32/95/01/646329501.db2.gz CMKIZHYIQBZMRP-NWDGAFQWSA-N 2 0 228.380 1.909 20 0 BDADRP Cc1noc(C)c1CC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925556927 646334223 /nfs/dbraw/zinc/33/42/23/646334223.db2.gz NACBIUVQRWNJHH-CHWSQXEVSA-N 2 0 249.358 1.693 20 0 BDADRP CC[C@H](O)CC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925560882 646336062 /nfs/dbraw/zinc/33/60/62/646336062.db2.gz OJUBEGGZPOCAND-TUAOUCFPSA-N 2 0 228.380 1.643 20 0 BDADRP CCOCC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925559794 646336129 /nfs/dbraw/zinc/33/61/29/646336129.db2.gz CPUSWAYLDKRMJA-QWRGUYRKSA-N 2 0 214.353 1.519 20 0 BDADRP Cc1ccc(CC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)cn1 ZINC000925573242 646341431 /nfs/dbraw/zinc/34/14/31/646341431.db2.gz NIWJXHUTAHPWLL-KGLIPLIRSA-N 2 0 245.370 1.792 20 0 BDADRP CC[C@@](C)(O)C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925609220 646357057 /nfs/dbraw/zinc/35/70/57/646357057.db2.gz QRGGMOWFICLVLB-OWTLIXCDSA-N 2 0 240.391 1.514 20 0 BDADRP [NH3+]CCC[C@H]([NH2+]CC1(O)CCC1)c1ccccc1 ZINC000925609005 646357201 /nfs/dbraw/zinc/35/72/01/646357201.db2.gz NHXFPUBJWIVQSL-AWEZNQCLSA-N 2 0 248.370 1.971 20 0 BDADRP CC1(C)[C@@H]([NH2+][C@@H]2CCOC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925620171 646367971 /nfs/dbraw/zinc/36/79/71/646367971.db2.gz ABYIPINVMRIJEY-WYUUTHIRSA-N 2 0 224.348 1.142 20 0 BDADRP C[C@@H]1CCC[N@@H+]1CCN[C@H]1CC[NH2+]C1(C)C ZINC000925621834 646368454 /nfs/dbraw/zinc/36/84/54/646368454.db2.gz GZAVALVXRJSMKU-NEPJUHHUSA-N 2 0 225.380 1.201 20 0 BDADRP CC[C@H](C[C@@H](C)CO)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925623133 646369343 /nfs/dbraw/zinc/36/93/43/646369343.db2.gz OZAJMSRBSQZHKT-JHJVBQTASA-N 2 0 240.391 1.658 20 0 BDADRP C[C@@H](CO)CCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925631690 646376173 /nfs/dbraw/zinc/37/61/73/646376173.db2.gz WMLSYMUFGWCGCE-CHWSQXEVSA-N 2 0 240.391 1.659 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925630315 646376196 /nfs/dbraw/zinc/37/61/96/646376196.db2.gz QZFDMJKINSDADZ-WDEREUQCSA-N 2 0 214.353 1.125 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925631080 646376462 /nfs/dbraw/zinc/37/64/62/646376462.db2.gz UMGMKVDLHOUBJD-RWMBFGLXSA-N 2 0 242.407 1.891 20 0 BDADRP C[NH+](C)C1(CN[C@@H]2CC[NH2+]C23CCC3)CCC1 ZINC000925645810 646386565 /nfs/dbraw/zinc/38/65/65/646386565.db2.gz TWOCCKOKLDAQGR-GFCCVEGCSA-N 2 0 237.391 1.345 20 0 BDADRP CO[C@H](C)C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925644906 646387712 /nfs/dbraw/zinc/38/77/12/646387712.db2.gz MXQOPHBVVVXYMH-OUAUKWLOSA-N 2 0 214.353 1.517 20 0 BDADRP C1=CC[N@H+](CCN[C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925661800 646397153 /nfs/dbraw/zinc/39/71/53/646397153.db2.gz DXHSGQYIQXIXOZ-AWEZNQCLSA-N 2 0 249.402 1.513 20 0 BDADRP Cn1cncc1C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925668943 646399772 /nfs/dbraw/zinc/39/97/72/646399772.db2.gz MJUIPXPAHKDEJT-QWRGUYRKSA-N 2 0 236.363 1.416 20 0 BDADRP CCOCC(C)(C)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925668469 646399798 /nfs/dbraw/zinc/39/97/98/646399798.db2.gz HTTXXGOPSYJETF-NSHDSACASA-N 2 0 228.380 1.779 20 0 BDADRP C[C@@H](C[NH+](C)C)N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925671756 646401502 /nfs/dbraw/zinc/40/15/02/646401502.db2.gz FPNSJTUYWPDHLM-TUAOUCFPSA-N 2 0 227.396 1.432 20 0 BDADRP CC1(C)[C@@H](NCC[NH2+]C2CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925690071 646416038 /nfs/dbraw/zinc/41/60/38/646416038.db2.gz DOMWZJSDBASKME-AGIUHOORSA-N 2 0 237.391 1.105 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H]2CCC[C@H]2O)C1 ZINC000925693019 646417991 /nfs/dbraw/zinc/41/79/91/646417991.db2.gz QMLFFXRCOYRRSM-UMSGYPCISA-N 2 0 240.391 1.643 20 0 BDADRP [NH3+][C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C12CCC2 ZINC000925695068 646419189 /nfs/dbraw/zinc/41/91/89/646419189.db2.gz VZCRDRRIELRMLO-KTCIRNNBSA-N 2 0 235.375 1.129 20 0 BDADRP C[C@H]([NH3+])CCN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925695733 646422072 /nfs/dbraw/zinc/42/20/72/646422072.db2.gz WIFVILUHZOHZCC-USZNOCQGSA-N 2 0 225.380 1.090 20 0 BDADRP C[C@H]([NH3+])[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000925701408 646425052 /nfs/dbraw/zinc/42/50/52/646425052.db2.gz ZAVJQDJYKLCOOC-MYPMTAMASA-N 2 0 247.386 1.934 20 0 BDADRP CC(C)(C)[N@@H+]1CC[C@@H](N[C@H]2CC[NH2+]C2(C)C)C1 ZINC000925703217 646426995 /nfs/dbraw/zinc/42/69/95/646426995.db2.gz COSXMWLQORJMIG-NEPJUHHUSA-N 2 0 239.407 1.589 20 0 BDADRP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@H]2[NH2+]CC1=CCCC1 ZINC000925704175 646429009 /nfs/dbraw/zinc/42/90/09/646429009.db2.gz BPHHVQKYICPGEX-YXSUXZIUSA-N 2 0 236.359 1.439 20 0 BDADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ncc[nH]1 ZINC000925707966 646432554 /nfs/dbraw/zinc/43/25/54/646432554.db2.gz QMGSLDJWOAVFEU-SNVBAGLBSA-N 2 0 220.320 1.370 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1NCc1ccc(C[NH3+])cc1 ZINC000925711491 646437328 /nfs/dbraw/zinc/43/73/28/646437328.db2.gz NJZRPDGWVCBNHZ-ZDUSSCGKSA-N 2 0 233.359 1.375 20 0 BDADRP C[C@@H]([NH3+])[C@@H](N[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000925713983 646438474 /nfs/dbraw/zinc/43/84/74/646438474.db2.gz YWYRFVNKMFOMKA-KGYLQXTDSA-N 2 0 219.332 1.026 20 0 BDADRP CC[C@H]([NH3+])CN[C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925713696 646438888 /nfs/dbraw/zinc/43/88/88/646438888.db2.gz XXXRXPDWDJJXLF-WXHSDQCUSA-N 2 0 221.348 1.402 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925713448 646439788 /nfs/dbraw/zinc/43/97/88/646439788.db2.gz SWDKDZMHMVIVQK-KBPBESRZSA-N 3 0 245.370 1.505 20 0 BDADRP c1coc(CCC[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)c1 ZINC000925716045 646440605 /nfs/dbraw/zinc/44/06/05/646440605.db2.gz OQDVQBUYXWUAFK-RCZQDCHWSA-N 2 0 246.354 1.798 20 0 BDADRP CC(C)CC[C@H](CO)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925718141 646442805 /nfs/dbraw/zinc/44/28/05/646442805.db2.gz HJHBZACPRGANJE-UPJWGTAASA-N 2 0 240.391 1.643 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@H]1CC[NH2+]C13CCC3)[NH2+]2 ZINC000925724455 646449093 /nfs/dbraw/zinc/44/90/93/646449093.db2.gz YFLHLQRXXYUSCP-ITGHMWBKSA-N 2 0 249.402 1.390 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925725732 646451848 /nfs/dbraw/zinc/45/18/48/646451848.db2.gz VNDAVGZNNMXCJO-OLZOCXBDSA-N 2 0 240.391 1.802 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000925726403 646451984 /nfs/dbraw/zinc/45/19/84/646451984.db2.gz SLBDTDMNEWHZSV-VXGBXAGGSA-N 2 0 239.407 1.495 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000925726399 646452059 /nfs/dbraw/zinc/45/20/59/646452059.db2.gz SLBDTDMNEWHZSV-NWDGAFQWSA-N 2 0 239.407 1.495 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925725730 646452311 /nfs/dbraw/zinc/45/23/11/646452311.db2.gz VNDAVGZNNMXCJO-CHWSQXEVSA-N 2 0 240.391 1.802 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCC[C@@H]1CCOC1=O ZINC000925728685 646453141 /nfs/dbraw/zinc/45/31/41/646453141.db2.gz GMHXZKJQCLMDOI-MNOVXSKESA-N 2 0 240.347 1.060 20 0 BDADRP CC1(C)CC[C@H](C[NH2+][C@H]2CCC[C@H]2[NH3+])OC1 ZINC000925729877 646453431 /nfs/dbraw/zinc/45/34/31/646453431.db2.gz ACNAJSKSTCXJBZ-UTUOFQBUSA-N 2 0 226.364 1.661 20 0 BDADRP Nc1cc(F)cc(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925731767 646456444 /nfs/dbraw/zinc/45/64/44/646456444.db2.gz UYQRQZOYDUCLEA-QWHCGFSZSA-N 2 0 249.333 1.767 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000925735626 646458845 /nfs/dbraw/zinc/45/88/45/646458845.db2.gz HPQQLFVLCBYWTC-ZDEQEGDKSA-N 2 0 226.364 1.661 20 0 BDADRP CC1(C[NH2+][C@H]2CCC[C@H]2[NH3+])CC(F)(F)C1 ZINC000925735428 646461172 /nfs/dbraw/zinc/46/11/72/646461172.db2.gz ZTZZWYTYDVULFY-BDAKNGLRSA-N 2 0 218.291 1.891 20 0 BDADRP CCC1([NH3+])CCN([C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000925755324 646463839 /nfs/dbraw/zinc/46/38/39/646463839.db2.gz DLRUIPLCCWXFNJ-NWDGAFQWSA-N 2 0 225.380 1.140 20 0 BDADRP C[C@@H](NCc1cc(N)cc[nH+]1)[C@@H]1CCCC[NH2+]1 ZINC000925765463 646466968 /nfs/dbraw/zinc/46/69/68/646466968.db2.gz BUFHFGIMVWCMNA-MFKMUULPSA-N 2 0 234.347 1.284 20 0 BDADRP CCC1([NH3+])CCN([C@@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000925761202 646467213 /nfs/dbraw/zinc/46/72/13/646467213.db2.gz VJAKSVJTYSACIX-QWHCGFSZSA-N 2 0 239.407 1.720 20 0 BDADRP Nc1cc[nH+]c(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000925769930 646471418 /nfs/dbraw/zinc/47/14/18/646471418.db2.gz CYNCBHULOLCHAV-OCCSQVGLSA-N 2 0 246.358 1.380 20 0 BDADRP CC[C@H](CO)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000930171116 646471863 /nfs/dbraw/zinc/47/18/63/646471863.db2.gz LFWAAIKTVKBYLX-GFCCVEGCSA-N 2 0 226.364 1.318 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000925779209 646476594 /nfs/dbraw/zinc/47/65/94/646476594.db2.gz ICESJGGNPANLAT-RKQHYHRCSA-N 2 0 238.375 1.389 20 0 BDADRP C[C@@H]([NH3+])[C@@H](N[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1 ZINC000925781240 646477175 /nfs/dbraw/zinc/47/71/75/646477175.db2.gz WBDVGLGPQSZRNC-HBJVGIJOSA-N 2 0 233.359 1.272 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925779685 646477289 /nfs/dbraw/zinc/47/72/89/646477289.db2.gz ZJPLSTSAMWQNIS-MNOVXSKESA-N 3 0 249.349 1.338 20 0 BDADRP COC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])[C@H]1CCCOC1 ZINC000925778648 646477514 /nfs/dbraw/zinc/47/75/14/646477514.db2.gz KCZWDUSWJLJLDG-NDBYEHHHSA-N 2 0 244.379 1.143 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000925785255 646481312 /nfs/dbraw/zinc/48/13/12/646481312.db2.gz MIEYUBUNUDERMA-FVCCEPFGSA-N 2 0 228.355 1.960 20 0 BDADRP CC[C@H](NC[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000925786047 646481509 /nfs/dbraw/zinc/48/15/09/646481509.db2.gz NIRXGBOLJDZSDF-ZOBORPQBSA-N 2 0 239.407 1.352 20 0 BDADRP COCC1CCC([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000925785452 646481764 /nfs/dbraw/zinc/48/17/64/646481764.db2.gz NLKBRETWVQMEOO-ZIHBUVQPSA-N 2 0 240.391 1.637 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CCCO1 ZINC000925797443 646487069 /nfs/dbraw/zinc/48/70/69/646487069.db2.gz NZSKORXXYSVBNQ-FDYHWXHSSA-N 2 0 226.364 1.389 20 0 BDADRP CCCC[C@H](CC)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925811917 646490286 /nfs/dbraw/zinc/49/02/86/646490286.db2.gz UNKHOCTWOWJQBB-AWEZNQCLSA-N 2 0 241.423 1.968 20 0 BDADRP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccccn1 ZINC000925815958 646491361 /nfs/dbraw/zinc/49/13/61/646491361.db2.gz UZYIYEUZXSGXLV-LBPRGKRZSA-N 2 0 248.374 1.155 20 0 BDADRP CC[C@@H]1CC[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925818225 646493579 /nfs/dbraw/zinc/49/35/79/646493579.db2.gz ZTGJNZYSABJQKD-DGCLKSJQSA-N 2 0 225.380 1.188 20 0 BDADRP CC[C@@H]([NH2+]CCN1CCC([NH3+])CC1)C1CCC1 ZINC000925817170 646494378 /nfs/dbraw/zinc/49/43/78/646494378.db2.gz OASNZKRKZPTYMS-CQSZACIVSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@@H]1COC[C@@H]1[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925828105 646499873 /nfs/dbraw/zinc/49/98/73/646499873.db2.gz ULRMVAVWHQXOEX-RHYQMDGZSA-N 2 0 226.364 1.517 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000925830996 646501751 /nfs/dbraw/zinc/50/17/51/646501751.db2.gz HVGRZQHGJGYJQQ-UYXSQOIJSA-N 2 0 222.254 1.654 20 0 BDADRP C1=C[C@@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)[C@H]2CO[C@@H]1C2 ZINC000925833704 646503201 /nfs/dbraw/zinc/50/32/01/646503201.db2.gz XECGSJJIWVDNLX-CRWXNKLISA-N 2 0 248.370 1.452 20 0 BDADRP [NH3+][C@H]1CCC[C@@H](NC[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC000925837866 646504095 /nfs/dbraw/zinc/50/40/95/646504095.db2.gz INQYGXPVAWFFPJ-REWJHTLYSA-N 2 0 237.391 1.378 20 0 BDADRP CC[C@@H](C)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925854076 646511506 /nfs/dbraw/zinc/51/15/06/646511506.db2.gz KFJKLVMHEBSZRX-MNOVXSKESA-N 2 0 240.347 1.060 20 0 BDADRP Cn1nc(C2CC2)cc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000925873616 646524834 /nfs/dbraw/zinc/52/48/34/646524834.db2.gz KKRALQMEBASLAY-AAEUAGOBSA-N 2 0 248.374 1.515 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000925879438 646529658 /nfs/dbraw/zinc/52/96/58/646529658.db2.gz DQRJBHLWWIPZSG-IDTSFGKNSA-N 3 0 245.370 1.848 20 0 BDADRP C[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925880633 646530461 /nfs/dbraw/zinc/53/04/61/646530461.db2.gz UWOQUDAQCSWHMY-WISYIIOYSA-N 2 0 212.337 1.128 20 0 BDADRP CC(C)CC[NH+]1CCC([NH2+][C@H](C)[C@@H](C)O)CC1 ZINC000926422050 646634718 /nfs/dbraw/zinc/63/47/18/646634718.db2.gz UQOUMDCKBVAYLQ-CHWSQXEVSA-N 2 0 242.407 1.856 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)C(C)(C)CO ZINC000926450546 646641357 /nfs/dbraw/zinc/64/13/57/646641357.db2.gz OHUBIESOULAAFN-VHSXEESVSA-N 2 0 237.347 1.264 20 0 BDADRP CC(C)[N@@H+](C)C[C@@H](C)N[C@H]1C[NH+]2C[C@@H]1CCC2 ZINC000926450539 646642542 /nfs/dbraw/zinc/64/25/42/646642542.db2.gz OFVUCVODORSVRT-RDBSUJKOSA-N 2 0 239.407 1.399 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](C[C@H]2CCSC2)C1 ZINC000723709269 711535380 /nfs/dbraw/zinc/53/53/80/711535380.db2.gz NJDOMGFIGZDQEQ-WDEREUQCSA-N 2 0 214.378 1.410 20 0 BDADRP CCn1nccc1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723711657 711536009 /nfs/dbraw/zinc/53/60/09/711536009.db2.gz DWXQHBNHJRJMJU-NSHDSACASA-N 2 0 222.336 1.074 20 0 BDADRP COC(=O)CCCC[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723902399 711544853 /nfs/dbraw/zinc/54/48/53/711544853.db2.gz WYTBUQACCMGJCG-VXGBXAGGSA-N 2 0 242.363 1.246 20 0 BDADRP C[NH+](C)CCC[NH2+][C@@H](C1CC1)[C@H]1CCCOC1 ZINC000723970759 711549788 /nfs/dbraw/zinc/54/97/88/711549788.db2.gz IJVOIZCYMBNVGC-KBPBESRZSA-N 2 0 240.391 1.733 20 0 BDADRP CC[C@H]([NH3+])CN[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925711843 711711089 /nfs/dbraw/zinc/71/10/89/711711089.db2.gz SQPMYGGTJPAABH-DCAQKATOSA-N 2 0 213.369 1.219 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1CCCCC[C@H]1[NH3+] ZINC000925787459 711751489 /nfs/dbraw/zinc/75/14/89/711751489.db2.gz SVWJLVMGCAHNJS-XQHKEYJVSA-N 2 0 225.380 1.092 20 0 BDADRP COCC[C@@H](C)[N@H+](C)CCCCCC[NH3+] ZINC000710712967 711762421 /nfs/dbraw/zinc/76/24/21/711762421.db2.gz FWDULXGMLQDUAB-GFCCVEGCSA-N 2 0 216.369 1.862 20 0 BDADRP COCC[N@H+](CCF)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000700383988 711803013 /nfs/dbraw/zinc/80/30/13/711803013.db2.gz GHHDPTDSMTWNQT-NEPJUHHUSA-N 2 0 232.343 1.292 20 0 BDADRP CO[C@H]1C[C@@H](C[N@H+](C)CC[C@H]([NH3+])C(C)C)C1 ZINC000721928310 711938039 /nfs/dbraw/zinc/93/80/39/711938039.db2.gz QCRJBFAYCGKKMU-XQQFMLRXSA-N 2 0 228.380 1.717 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](CCc2cccs2)C1 ZINC000700631786 712003692 /nfs/dbraw/zinc/00/36/92/712003692.db2.gz SQPOXNMOTOAIPE-LLVKDONJSA-N 2 0 224.373 1.961 20 0 BDADRP C[C@@H]([NH2+]C1CCC(C)(O)CC1)[C@@H]1CC[NH2+]C1 ZINC000703604730 712081789 /nfs/dbraw/zinc/08/17/89/712081789.db2.gz IYKWHZIWPUKGMO-OKZRHMCRSA-N 2 0 226.364 1.268 20 0 BDADRP COC1CCC([NH2+][C@@H](C)C2CC[NH2+]CC2)CC1 ZINC000703803108 712088073 /nfs/dbraw/zinc/08/80/73/712088073.db2.gz HXOLDZGNZTVMBZ-XGNXJENSSA-N 2 0 240.391 1.922 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CCSC1 ZINC000704813538 712118239 /nfs/dbraw/zinc/11/82/39/712118239.db2.gz IIEMOSUYGYBFKN-SRVKXCTJSA-N 2 0 228.405 1.847 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](C[C@H]2CC(C)(C)CO2)CC1 ZINC000708329065 712187167 /nfs/dbraw/zinc/18/71/67/712187167.db2.gz ASSNHXIPPSKXHE-WCQYABFASA-N 2 0 240.391 1.861 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1CCSC1)[NH2+]2 ZINC000709430954 712221683 /nfs/dbraw/zinc/22/16/83/712221683.db2.gz QFIZJMKIQNFVGG-YBXAARCKSA-N 2 0 226.389 1.611 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000709896196 712230908 /nfs/dbraw/zinc/23/09/08/712230908.db2.gz GGOMXLIAFCVYNH-XQHKEYJVSA-N 2 0 226.364 1.613 20 0 BDADRP CC[N@@H+]1CC[C@H](CN[C@H]2CCC2(OC)OC)C1 ZINC000710959209 712268280 /nfs/dbraw/zinc/26/82/80/712268280.db2.gz LFSMURHBGHCLEN-NEPJUHHUSA-N 2 0 242.363 1.069 20 0 BDADRP FC[C@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000711446221 712301000 /nfs/dbraw/zinc/30/10/00/712301000.db2.gz WCXUGARCEQDYKP-VXGBXAGGSA-N 2 0 214.328 1.668 20 0 BDADRP CC1(C)CC[NH2+]CCN1CCOC1CC1 ZINC000711777898 712328635 /nfs/dbraw/zinc/32/86/35/712328635.db2.gz WQDUHCSCLFMMAJ-UHFFFAOYSA-N 2 0 212.337 1.239 20 0 BDADRP C[N@H+](CCOCC[NH3+])C[C@@H]1CCCC(C)(C)O1 ZINC000714332615 712482259 /nfs/dbraw/zinc/48/22/59/712482259.db2.gz ZRYSPPROGLGFOY-LBPRGKRZSA-N 2 0 244.379 1.241 20 0 BDADRP [NH3+]CC1CC[NH+](C[C@H]2CC[C@H](C3CC3)O2)CC1 ZINC000715510636 712524713 /nfs/dbraw/zinc/52/47/13/712524713.db2.gz QAAHWTRKKNGQNQ-ZIAGYGMSSA-N 2 0 238.375 1.615 20 0 BDADRP C[C@H]1C[N@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@H]1C ZINC000389732293 712690315 /nfs/dbraw/zinc/69/03/15/712690315.db2.gz QUSCOKJRVUVECG-XQQFMLRXSA-N 2 0 226.364 1.031 20 0 BDADRP COC[C@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000717985128 712735014 /nfs/dbraw/zinc/73/50/14/712735014.db2.gz QGCYCOXIXNZDKB-AGIUHOORSA-N 2 0 226.364 1.472 20 0 BDADRP CCCCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000392881393 712850949 /nfs/dbraw/zinc/85/09/49/712850949.db2.gz IPVYYIFEBVNECS-OBPIAQAESA-N 2 0 208.349 1.763 20 0 BDADRP Cc1nnsc1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000381638084 710666143 /nfs/dbraw/zinc/66/61/43/710666143.db2.gz OSEYZOCTULAXTH-UHFFFAOYSA-N 2 0 240.376 1.548 20 0 BDADRP C[N@H+]1CC=C(C[NH2+]C2CC(C(F)F)C2)CC1 ZINC000381784836 710714451 /nfs/dbraw/zinc/71/44/51/710714451.db2.gz YPDDNTKTIKLBPL-UHFFFAOYSA-N 2 0 230.302 1.882 20 0 BDADRP [NH3+]CCC[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000723630069 710729866 /nfs/dbraw/zinc/72/98/66/710729866.db2.gz VSRLDGUYJWPNQZ-GRYCIOLGSA-N 2 0 212.337 1.130 20 0 BDADRP Cc1cc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c(C)nn1 ZINC000723881611 710732894 /nfs/dbraw/zinc/73/28/94/710732894.db2.gz BMIFQRNTBQRYKQ-ZWNOBZJWSA-N 2 0 248.374 1.510 20 0 BDADRP CO[C@H](CN[C@@H]1CCC[NH2+][C@@H]1C)C(C)C ZINC000396706580 710907664 /nfs/dbraw/zinc/90/76/64/710907664.db2.gz NISLZVCLNSWTGT-IJLUTSLNSA-N 2 0 214.353 1.388 20 0 BDADRP CC1(C)CC[C@@H]([NH2+]CCN2CCC([NH3+])CC2)C1 ZINC000133156247 710969529 /nfs/dbraw/zinc/96/95/29/710969529.db2.gz KQUOQSSMWIWIOZ-CYBMUJFWSA-N 2 0 239.407 1.578 20 0 BDADRP CCC1([NH2+]CC2CC[NH+](C)CC2)CCOCC1 ZINC000389348194 711076982 /nfs/dbraw/zinc/07/69/82/711076982.db2.gz URRILLWFVVAADX-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP COC[C@H](C)C[N@H+](C)CCCCCC[NH3+] ZINC000389665981 711085841 /nfs/dbraw/zinc/08/58/41/711085841.db2.gz NWHPSQUIJOQMDW-GFCCVEGCSA-N 2 0 216.369 1.720 20 0 BDADRP Cc1nonc1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000396449010 711221448 /nfs/dbraw/zinc/22/14/48/711221448.db2.gz FIZMXDKIHZWTGD-VIFPVBQESA-N 2 0 238.335 1.198 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@@H]1CCC[NH2+][C@H]1C ZINC000396602267 711353873 /nfs/dbraw/zinc/35/38/73/711353873.db2.gz HKOZRQJFUHOCKH-RWMBFGLXSA-N 2 0 227.396 1.447 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000396719563 711365754 /nfs/dbraw/zinc/36/57/54/711365754.db2.gz SNQFEDPXCXLXAJ-AGIUHOORSA-N 2 0 225.380 1.201 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000398547110 711412267 /nfs/dbraw/zinc/41/22/67/711412267.db2.gz FMNLMBBLGDWKLJ-SNIKSBKOSA-N 2 0 238.375 1.124 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000398652219 711413094 /nfs/dbraw/zinc/41/30/94/711413094.db2.gz CABADKIQGGJEDH-WFQJECDVSA-N 2 0 238.375 1.124 20 0 BDADRP C[C@@H]1COCC[N@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000399172625 711423468 /nfs/dbraw/zinc/42/34/68/711423468.db2.gz OXWDXISEIWWLGY-QWHCGFSZSA-N 2 0 226.364 1.344 20 0 BDADRP C[C@@H]1COCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000399249398 711426155 /nfs/dbraw/zinc/42/61/55/711426155.db2.gz FDRLPQMYROVELQ-QWHCGFSZSA-N 2 0 226.364 1.344 20 0 BDADRP C[C@@H](C[NH2+][C@@H]1CC[C@H]1C)N1CC[NH+](C)CC1 ZINC000381464477 710640355 /nfs/dbraw/zinc/64/03/55/710640355.db2.gz KUPIIIPJXOBDMZ-FRRDWIJNSA-N 2 0 225.380 1.010 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@H]2C[C@@H](OC)C2)CC[C@@H]1[NH3+] ZINC000721910748 710691932 /nfs/dbraw/zinc/69/19/32/710691932.db2.gz YLSAMDBBCMMBOZ-NDBYEHHHSA-N 2 0 226.364 1.471 20 0 BDADRP CCC[NH+]1CCC([NH2+]Cc2cc[nH]c(=O)c2)CC1 ZINC000392655980 711150740 /nfs/dbraw/zinc/15/07/40/711150740.db2.gz BAFXUSUFLQWVTG-UHFFFAOYSA-N 2 0 249.358 1.751 20 0 BDADRP CC(C)[N@H+](C)CCN[C@@H]1CCC[NH2+][C@H]1C ZINC000396711682 711366457 /nfs/dbraw/zinc/36/64/57/711366457.db2.gz RCFMYWOFEQKQKG-NWDGAFQWSA-N 2 0 213.369 1.057 20 0 BDADRP CCCCCC[NH+]1CCC(O)(C[NH3+])CC1 ZINC000397103691 711376902 /nfs/dbraw/zinc/37/69/02/711376902.db2.gz NSVCAQYFTCXNAI-UHFFFAOYSA-N 2 0 214.353 1.352 20 0 BDADRP C[N@H+](CCC[NH2+]C1CC1)C[C@@H]1CCOC1 ZINC000399572318 711431726 /nfs/dbraw/zinc/43/17/26/711431726.db2.gz JECIQBNLOIVTEJ-NSHDSACASA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](CF)C2)CC[NH2+]1 ZINC000711467073 711462487 /nfs/dbraw/zinc/46/24/87/711462487.db2.gz SIGXCGTWOFYKRH-UTUOFQBUSA-N 2 0 214.328 1.666 20 0 BDADRP C[N@H+](CCC[NH3+])C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000721439878 711476346 /nfs/dbraw/zinc/47/63/46/711476346.db2.gz ZZBBAYYRZKJBDN-RKDXNWHRSA-N 2 0 240.269 1.377 20 0 BDADRP C[NH+](C)CCCCNC(=O)c1cccc(C[NH3+])c1 ZINC000045663059 711488100 /nfs/dbraw/zinc/48/81/00/711488100.db2.gz OPFUANVWQJSTGV-UHFFFAOYSA-N 2 0 249.358 1.217 20 0 BDADRP C([NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000723647500 711530382 /nfs/dbraw/zinc/53/03/82/711530382.db2.gz QCCLSNZBVLQAGV-FQUUOJAGSA-N 2 0 238.375 1.533 20 0 BDADRP Cc1nnsc1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723698437 711534523 /nfs/dbraw/zinc/53/45/23/711534523.db2.gz GHNUZJXZXNNNOW-SECBINFHSA-N 2 0 226.349 1.017 20 0 BDADRP Cc1cc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)on1 ZINC000723884219 711543273 /nfs/dbraw/zinc/54/32/73/711543273.db2.gz RJIURWMQPWHUTL-MWLCHTKSSA-N 2 0 223.320 1.400 20 0 BDADRP CCn1nccc1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723893309 711544286 /nfs/dbraw/zinc/54/42/86/711544286.db2.gz XQJMWZPCLOWKSG-VXGBXAGGSA-N 2 0 236.363 1.320 20 0 BDADRP CO[C@@H]1CC[C@H]1[N@H+](C)CCC[NH2+]C1CC1 ZINC000724177178 711566993 /nfs/dbraw/zinc/56/69/93/711566993.db2.gz BULJQMNRPBEHRN-VXGBXAGGSA-N 2 0 212.337 1.238 20 0 BDADRP CC[C@H](C)NC(=[NH2+])NC[C@@H](C)[NH+]1CCCCC1 ZINC000848995658 711590571 /nfs/dbraw/zinc/59/05/71/711590571.db2.gz ZRMMQGJYJPYLAF-NWDGAFQWSA-N 2 0 240.395 1.773 20 0 BDADRP C[C@@]1(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)CCC[NH2+]C1 ZINC000724829457 711616929 /nfs/dbraw/zinc/61/69/29/711616929.db2.gz KRVZENSTFZWRSZ-HZSPNIEDSA-N 2 0 238.375 1.487 20 0 BDADRP COCCCC[NH2+][C@@H]1CCCN[C@@H]1C ZINC000396561889 711701912 /nfs/dbraw/zinc/70/19/12/711701912.db2.gz IGBOVNGPTOCYEA-GHMZBOCLSA-N 2 0 200.326 1.143 20 0 BDADRP Cc1nccn1CC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000931439067 711713179 /nfs/dbraw/zinc/71/31/79/711713179.db2.gz MSYTYGMUNYWMNU-KGLIPLIRSA-N 2 0 248.374 1.075 20 0 BDADRP CC1CC(C[NH2+][C@@H]2[C@@H]3COC[C@H]2C[C@@H]([NH3+])C3)C1 ZINC000925722804 711726458 /nfs/dbraw/zinc/72/64/58/711726458.db2.gz ZLUHPSCWBIEBIA-XBJBOSPKSA-N 2 0 238.375 1.374 20 0 BDADRP [NH3+]C1(C[NH2+]C[C@H]2CC[C@H](C3CC3)O2)CCC1 ZINC000722325454 711737892 /nfs/dbraw/zinc/73/78/92/711737892.db2.gz YTBHQCUEXZSNRJ-VXGBXAGGSA-N 2 0 224.348 1.415 20 0 BDADRP C[NH+](C)[C@@H](CN[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000094074638 711738840 /nfs/dbraw/zinc/73/88/40/711738840.db2.gz ULGTVHBKPINNFL-KGLIPLIRSA-N 2 0 233.359 1.241 20 0 BDADRP CCN1CCC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])C1=O ZINC000722339688 711740582 /nfs/dbraw/zinc/74/05/82/711740582.db2.gz AABHAOJJRPKDJU-NWDGAFQWSA-N 2 0 241.379 1.104 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H](O)c2ccccc2)C1 ZINC000222920519 711753935 /nfs/dbraw/zinc/75/39/35/711753935.db2.gz TVUGDJLBDSZHKU-HZSPNIEDSA-N 2 0 234.343 1.580 20 0 BDADRP C[C@H]([NH2+]C[C@]12C[C@H]1CCC2)[C@@H]1CC[NH2+]C1 ZINC000925880003 711762055 /nfs/dbraw/zinc/76/20/55/711762055.db2.gz FVRFSGAGJNOYBO-LOWDOPEQSA-N 2 0 208.349 1.764 20 0 BDADRP CCn1cc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)cn1 ZINC000160068801 711805410 /nfs/dbraw/zinc/80/54/10/711805410.db2.gz JHDRJJPECPUZNH-LLVKDONJSA-N 2 0 222.336 1.074 20 0 BDADRP Cc1nccn1CCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925473661 711878850 /nfs/dbraw/zinc/87/88/50/711878850.db2.gz NWXRYPJMMRHPPA-QWHCGFSZSA-N 2 0 248.374 1.441 20 0 BDADRP COC[C@H](C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1)C(C)C ZINC000721917859 711919381 /nfs/dbraw/zinc/91/93/81/711919381.db2.gz JSQKVZQSVLQSHD-MELADBBJSA-N 2 0 240.391 1.446 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2(O)CCCC2)CC[N@@H+]1C ZINC000156301260 711938310 /nfs/dbraw/zinc/93/83/10/711938310.db2.gz VQDYKPIHOHQMRG-NEPJUHHUSA-N 2 0 226.364 1.364 20 0 BDADRP COc1cncc(CNC2CC[NH+](C)CC2)c1 ZINC000700071913 711985476 /nfs/dbraw/zinc/98/54/76/711985476.db2.gz KWCMMBRNZPMABQ-UHFFFAOYSA-N 2 0 235.331 1.274 20 0 BDADRP C[N@@H+](Cc1cnccn1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000700078114 711985820 /nfs/dbraw/zinc/98/58/20/711985820.db2.gz KORRQXKSMVQWDZ-YHWZYXNKSA-N 2 0 246.358 1.439 20 0 BDADRP C[N@H+](C[C@@H]1CCCO1)C[C@@H]1CCCC[NH2+]C1 ZINC000700403415 711992034 /nfs/dbraw/zinc/99/20/34/711992034.db2.gz INRYKXFDOQSIEW-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2COCC2(C)C)C1 ZINC000700793543 712005039 /nfs/dbraw/zinc/00/50/39/712005039.db2.gz RQJOFLPLRWJURF-CHWSQXEVSA-N 2 0 240.391 1.733 20 0 BDADRP CCO[C@H]1CC[N@H+](CCCCCC[NH3+])C1 ZINC000701677195 712027090 /nfs/dbraw/zinc/02/70/90/712027090.db2.gz JOKYGZIRYYFYPX-LBPRGKRZSA-N 2 0 214.353 1.616 20 0 BDADRP CCO[C@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000701718527 712027982 /nfs/dbraw/zinc/02/79/82/712027982.db2.gz RXJMIHPRICSIEB-RYUDHWBXSA-N 2 0 212.337 1.097 20 0 BDADRP FC1(F)C[C@@H]1CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000701936618 712032550 /nfs/dbraw/zinc/03/25/50/712032550.db2.gz UCZCTFZTFNYXLI-KTWSDMTRSA-N 2 0 242.313 1.618 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@H]3COC[C@@H]3C2)C1 ZINC000702076687 712037996 /nfs/dbraw/zinc/03/79/96/712037996.db2.gz FKNSXCFWUMYXKF-ZDEQEGDKSA-N 2 0 224.348 1.082 20 0 BDADRP Cc1c[nH+]ccc1N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703538768 712078030 /nfs/dbraw/zinc/07/80/30/712078030.db2.gz QUJWNEKLJJTIMV-WCQYABFASA-N 2 0 217.316 1.436 20 0 BDADRP CC1(O)CCC([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000703599566 712080434 /nfs/dbraw/zinc/08/04/34/712080434.db2.gz AANYMYMAPLFNCN-IGJPJIBNSA-N 2 0 226.364 1.540 20 0 BDADRP CC1(O)CCC([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000703599565 712080695 /nfs/dbraw/zinc/08/06/95/712080695.db2.gz AANYMYMAPLFNCN-GMKTYKIGSA-N 2 0 226.364 1.540 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](Cc2ccc(Cl)cn2)C1 ZINC000703931589 712094731 /nfs/dbraw/zinc/09/47/31/712094731.db2.gz QUWYDLRGRWAANJ-JTQLQIEISA-N 2 0 239.750 1.906 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2ccc(Cl)cn2)C1 ZINC000703931590 712095467 /nfs/dbraw/zinc/09/54/67/712095467.db2.gz QUWYDLRGRWAANJ-SNVBAGLBSA-N 2 0 239.750 1.906 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC[C@H]2CCSC2)C12CCC2 ZINC000704891577 712121036 /nfs/dbraw/zinc/12/10/36/712121036.db2.gz RLGWPPCEZCZREB-QJPTWQEYSA-N 2 0 240.416 1.989 20 0 BDADRP C[C@H](F)CC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000705760931 712137159 /nfs/dbraw/zinc/13/71/59/712137159.db2.gz HRKUWOSJMJTQTF-LPEHRKFASA-N 2 0 200.301 1.594 20 0 BDADRP CSC1CC([NH2+]CCOCC[NH+](C)C)C1 ZINC000706897630 712159692 /nfs/dbraw/zinc/15/96/92/712159692.db2.gz FDISJNJNPAZSQR-UHFFFAOYSA-N 2 0 232.393 1.048 20 0 BDADRP CSC1CC([NH2+]CC[C@@H](C)[NH+](C)C)C1 ZINC000706944975 712162693 /nfs/dbraw/zinc/16/26/93/712162693.db2.gz OKTFFCCLHKPPJZ-KPPDAEKUSA-N 2 0 216.394 1.810 20 0 BDADRP C([C@@H]1CCCC[NH2+]C1)[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000707632869 712176142 /nfs/dbraw/zinc/17/61/42/712176142.db2.gz CCDKOWLBXVGUJH-ZIAGYGMSSA-N 2 0 238.375 1.489 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC000708322818 712187074 /nfs/dbraw/zinc/18/70/74/712187074.db2.gz HTLNNJBODGNBGS-STQMWFEESA-N 2 0 240.391 1.733 20 0 BDADRP CC1(C)CO[C@H](C[N@@H+]2CCC[C@@H](C[NH3+])C2)C1 ZINC000708332142 712187958 /nfs/dbraw/zinc/18/79/58/712187958.db2.gz PMQHDYGCKXYEMX-RYUDHWBXSA-N 2 0 226.364 1.472 20 0 BDADRP CC1(C)CO[C@H](C[N@@H+]2CCC[C@@H](CC[NH3+])C2)C1 ZINC000708334275 712188537 /nfs/dbraw/zinc/18/85/37/712188537.db2.gz YONPXMBQMGMQHN-STQMWFEESA-N 2 0 240.391 1.862 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1C[NH3+] ZINC000708348308 712189992 /nfs/dbraw/zinc/18/99/92/712189992.db2.gz MLFOAIQXHICKMT-JHJVBQTASA-N 2 0 240.391 1.718 20 0 BDADRP C[C@@H](C[N@H+](C)C[C@@H](O)C[NH3+])CC(C)(C)C ZINC000709133221 712209773 /nfs/dbraw/zinc/20/97/73/712209773.db2.gz YMHTUMKOUQUNEM-MNOVXSKESA-N 2 0 216.369 1.310 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1C[C@H](O)C1(C)C)[NH2+]2 ZINC000709415420 712221417 /nfs/dbraw/zinc/22/14/17/712221417.db2.gz QWEKBHBVCVNERJ-PDWLFKFUSA-N 2 0 238.375 1.264 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCC[C@@H](CO)CC2)CC1 ZINC000709508727 712223365 /nfs/dbraw/zinc/22/33/65/712223365.db2.gz KRDYHGLOWQVTCC-CQSZACIVSA-N 2 0 240.391 1.423 20 0 BDADRP [NH3+]C[C@@H]1C[N@H+](CC2CCC2)C[C@H]1C(F)(F)F ZINC000709796784 712227350 /nfs/dbraw/zinc/22/73/50/712227350.db2.gz ZDAWAWPBVWRCHG-NXEZZACHSA-N 2 0 236.281 1.856 20 0 BDADRP [NH3+]C[C@@H]1C[N@H+](CC2CC2)C[C@H]1C(F)(F)F ZINC000709794670 712227355 /nfs/dbraw/zinc/22/73/55/712227355.db2.gz OCGDHNWCJSYAQE-RKDXNWHRSA-N 2 0 222.254 1.465 20 0 BDADRP C[NH+](C)C1(C)CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000709799391 712227530 /nfs/dbraw/zinc/22/75/30/712227530.db2.gz AQRPEHSBSREFOT-GFCCVEGCSA-N 2 0 226.364 1.173 20 0 BDADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000709823592 712228690 /nfs/dbraw/zinc/22/86/90/712228690.db2.gz PYRHQTHBAOSFJA-MJBXVCDLSA-N 2 0 216.328 1.998 20 0 BDADRP CC1(C)[C@H]([NH2+]CCc2ccns2)C[C@@H]1[NH3+] ZINC000709968011 712235755 /nfs/dbraw/zinc/23/57/55/712235755.db2.gz UNWIWBBUVBVDCO-VHSXEESVSA-N 2 0 225.361 1.401 20 0 BDADRP CCCNC(=O)[C@H](C)[N@H+](C)CCCCCC[NH3+] ZINC000710756980 712256620 /nfs/dbraw/zinc/25/66/20/712256620.db2.gz AQTMUBWYQSYQHC-LBPRGKRZSA-N 2 0 243.395 1.352 20 0 BDADRP C[N@H+](CCCCCC[NH3+])CC[C@H]1CCOC1 ZINC000710781947 712256741 /nfs/dbraw/zinc/25/67/41/712256741.db2.gz QEBFSSNVOIFLLO-ZDUSSCGKSA-N 2 0 228.380 1.864 20 0 BDADRP CC(C)CC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710642237 712264819 /nfs/dbraw/zinc/26/48/19/712264819.db2.gz OCBLWXVSHGUNOQ-UHFFFAOYSA-N 2 0 228.380 1.421 20 0 BDADRP CC[C@H](C)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710641788 712264832 /nfs/dbraw/zinc/26/48/32/712264832.db2.gz LHBGNUCZXWRAQW-NSHDSACASA-N 2 0 214.353 1.173 20 0 BDADRP CC[C@@H]1COC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](CC)C1 ZINC000711106655 712280730 /nfs/dbraw/zinc/28/07/30/712280730.db2.gz GULXXJZBNJRJTB-XQQFMLRXSA-N 2 0 226.364 1.343 20 0 BDADRP FC[C@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000711417782 712299089 /nfs/dbraw/zinc/29/90/89/712299089.db2.gz UCOKXKJHDHMZPS-GHMZBOCLSA-N 2 0 200.301 1.277 20 0 BDADRP FC[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000711443568 712301050 /nfs/dbraw/zinc/30/10/50/712301050.db2.gz MWGHIYCOWGNNQZ-WDEREUQCSA-N 2 0 200.301 1.277 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCOC2CC2)C1 ZINC000711734113 712321208 /nfs/dbraw/zinc/32/12/08/712321208.db2.gz YHZCOBCERANOFQ-GHMZBOCLSA-N 2 0 212.337 1.225 20 0 BDADRP C[N@H+](CCOC1CC1)CC(C)(C)C[NH3+] ZINC000711751425 712323775 /nfs/dbraw/zinc/32/37/75/712323775.db2.gz DYULTEZBPHKUMK-UHFFFAOYSA-N 2 0 200.326 1.082 20 0 BDADRP OCc1cc(N2CC[NH+](C3CCC3)CC2)cc[nH+]1 ZINC000378681792 712357374 /nfs/dbraw/zinc/35/73/74/712357374.db2.gz SWEZRRJENNIZMD-UHFFFAOYSA-N 2 0 247.342 1.248 20 0 BDADRP CC[C@H](CO)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000379007783 712367677 /nfs/dbraw/zinc/36/76/77/712367677.db2.gz IFYCWOKJZFYWCS-OLZOCXBDSA-N 2 0 228.380 1.564 20 0 BDADRP C[NH+](C)CCOCC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000378969665 712367953 /nfs/dbraw/zinc/36/79/53/712367953.db2.gz ZDQCQZSIEMXVKZ-AGIUHOORSA-N 2 0 226.364 1.343 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000712437758 712429752 /nfs/dbraw/zinc/42/97/52/712429752.db2.gz KMTXIOMAPWBPQT-QWHCGFSZSA-N 2 0 238.375 1.759 20 0 BDADRP CC[N@@H+]1CC[C@H]1CNc1cc(NC)ncn1 ZINC000712581063 712433384 /nfs/dbraw/zinc/43/33/84/712433384.db2.gz SVJKMRRDGXQLER-VIFPVBQESA-N 2 0 221.308 1.024 20 0 BDADRP CCN1CC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000712584366 712434238 /nfs/dbraw/zinc/43/42/38/712434238.db2.gz YDKFBFKFRIRUGU-GSPSYOTPSA-N 2 0 237.391 1.295 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000712533989 712442149 /nfs/dbraw/zinc/44/21/49/712442149.db2.gz RSAIQCDVUDJHME-CHWSQXEVSA-N 2 0 238.375 1.759 20 0 BDADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCCC[NH+](C)C ZINC000713010239 712451026 /nfs/dbraw/zinc/45/10/26/712451026.db2.gz SMAHMZJWSZNYFI-NSHDSACASA-N 2 0 243.395 1.064 20 0 BDADRP COCCC[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000713176998 712453229 /nfs/dbraw/zinc/45/32/29/712453229.db2.gz SUHWIWRQJNJLIV-UHFFFAOYSA-N 2 0 212.337 1.241 20 0 BDADRP OCCCCCC[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000713156615 712453332 /nfs/dbraw/zinc/45/33/32/712453332.db2.gz FMQJFOBHZSALCV-UHFFFAOYSA-N 2 0 240.391 1.757 20 0 BDADRP COCCCC[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000713192470 712454425 /nfs/dbraw/zinc/45/44/25/712454425.db2.gz XXDLMGGRXWCBAW-UHFFFAOYSA-N 2 0 226.364 1.631 20 0 BDADRP C[NH2+]CCC[N@H+](C)CCCOC(F)(F)F ZINC000713398359 712458965 /nfs/dbraw/zinc/45/89/65/712458965.db2.gz IVEKBFCKDYWEPW-UHFFFAOYSA-N 2 0 228.258 1.454 20 0 BDADRP CC1(C)CC[C@H](C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)OC1 ZINC000713585568 712466357 /nfs/dbraw/zinc/46/63/57/712466357.db2.gz JTJCUVSMYUWJGE-JHJVBQTASA-N 2 0 238.375 1.343 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000714607174 712488211 /nfs/dbraw/zinc/48/82/11/712488211.db2.gz VMGYQAGMNXPKJI-YIYPIFLZSA-N 2 0 238.375 1.628 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000714607173 712488346 /nfs/dbraw/zinc/48/83/46/712488346.db2.gz VMGYQAGMNXPKJI-XUXIUFHCSA-N 2 0 238.375 1.628 20 0 BDADRP COC[C@H](C)C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714449168 712489671 /nfs/dbraw/zinc/48/96/71/712489671.db2.gz VFSUXMPEKPPGKY-GFCCVEGCSA-N 2 0 242.407 1.966 20 0 BDADRP CCC1([NH3+])CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000714750028 712496902 /nfs/dbraw/zinc/49/69/02/712496902.db2.gz MJDPHMJWJVJKCH-GFCCVEGCSA-N 2 0 226.364 1.616 20 0 BDADRP C[NH+](C)C1(C)CCC([NH2+]Cc2ncc[nH]2)CC1 ZINC000715511839 712524406 /nfs/dbraw/zinc/52/44/06/712524406.db2.gz MBAABRAVZRABRM-UHFFFAOYSA-N 2 0 236.363 1.762 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H]2COCC2(C)C)C1 ZINC000715540134 712526800 /nfs/dbraw/zinc/52/68/00/712526800.db2.gz DLGXKZJESMFLSC-UPJWGTAASA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]1COC[C@@H]1[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715584770 712527291 /nfs/dbraw/zinc/52/72/91/712527291.db2.gz RBKLUZQOOCVBTH-ZIHBUVQPSA-N 2 0 240.391 1.874 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C ZINC000716584825 712564566 /nfs/dbraw/zinc/56/45/66/712564566.db2.gz OJMCRTVPZLBKIZ-QMVSFRDZSA-N 2 0 240.391 1.622 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000716802263 712574938 /nfs/dbraw/zinc/57/49/38/712574938.db2.gz PXLSTUQJXMLGBR-GMDXDWKASA-N 2 0 238.375 1.124 20 0 BDADRP CC[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000717008755 712604047 /nfs/dbraw/zinc/60/40/47/712604047.db2.gz CUQOSTOBVQNTFK-BDAKNGLRSA-N 2 0 206.280 1.619 20 0 BDADRP CC1(C)CO[C@H](C[NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000717283710 712644579 /nfs/dbraw/zinc/64/45/79/712644579.db2.gz FGKOVDNKRHKGBN-WOPDTQHZSA-N 2 0 226.364 1.519 20 0 BDADRP CC(F)(F)CCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000718721327 712778773 /nfs/dbraw/zinc/77/87/73/712778773.db2.gz GJSLTZAEDARGBZ-AOOOYVTPSA-N 2 0 218.291 1.573 20 0 BDADRP c1ccc2c(c1)OC[C@@H](C[NH2+]C1CC[NH2+]CC1)O2 ZINC000038040706 712801339 /nfs/dbraw/zinc/80/13/39/712801339.db2.gz SRWDPIQRFCTERK-GFCCVEGCSA-N 2 0 248.326 1.168 20 0 BDADRP C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+](C)C ZINC000038087902 712806793 /nfs/dbraw/zinc/80/67/93/712806793.db2.gz WDYDXIYSZAJWLF-ODWCKFRGSA-N 2 0 225.380 1.151 20 0 BDADRP C[C@H]1[C@@H](N[C@@H]2CC[NH+](C)[C@H](C)C2)CC[N@@H+]1C ZINC000719627772 712814839 /nfs/dbraw/zinc/81/48/39/712814839.db2.gz WQSIHZQAWRNFCZ-XQHKEYJVSA-N 2 0 225.380 1.151 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCc2ccns2)C1 ZINC000719829702 712824016 /nfs/dbraw/zinc/82/40/16/712824016.db2.gz CFOKNPCSPWMWIG-UWVGGRQHSA-N 2 0 225.361 1.355 20 0 BDADRP C[C@H](O)[C@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000719824171 712824080 /nfs/dbraw/zinc/82/40/80/712824080.db2.gz ZXMURKDOCKXGSE-FJCXZIGKSA-N 2 0 238.375 1.220 20 0 BDADRP C[C@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)CCO1 ZINC000719784807 712824356 /nfs/dbraw/zinc/82/43/56/712824356.db2.gz YZUSZZUQSSPZJJ-RYUDHWBXSA-N 2 0 212.337 1.097 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)c1ccccc1 ZINC000250810940 712834632 /nfs/dbraw/zinc/83/46/32/712834632.db2.gz KWVIECLUTONDHQ-ZNMIVQPWSA-N 2 0 248.370 1.827 20 0 BDADRP CC1([NH3+])CC[NH+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)CC1 ZINC000720809412 712866853 /nfs/dbraw/zinc/86/68/53/712866853.db2.gz ZNMOOCLTSZVZDI-AGIUHOORSA-N 2 0 238.375 1.757 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC[C@H]1[NH3+] ZINC000720848199 712870553 /nfs/dbraw/zinc/87/05/53/712870553.db2.gz UDVVYUYHFYZERJ-HTOAHKCRSA-N 2 0 238.375 1.613 20 0 BDADRP [NH3+]C1CC[NH+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)CC1 ZINC000720849275 712870865 /nfs/dbraw/zinc/87/08/65/712870865.db2.gz YOTWFJHHOAXJJZ-WCFLWFBJSA-N 2 0 224.348 1.367 20 0 BDADRP C[N@H+](C[C@@H]1C[C@@H]2CCC[C@H]2O1)CC(C)(C)C[NH3+] ZINC000720876201 712872977 /nfs/dbraw/zinc/87/29/77/712872977.db2.gz ZJNNZLKODSESOO-RWMBFGLXSA-N 2 0 240.391 1.861 20 0 BDADRP CN1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCCCC[NH3+] ZINC000720890421 712875359 /nfs/dbraw/zinc/87/53/59/712875359.db2.gz BKLZIJQXQSUMHU-KBPBESRZSA-N 2 0 239.407 1.674 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1cc(N)cc[nH+]1 ZINC001164632160 719149736 /nfs/dbraw/zinc/14/97/36/719149736.db2.gz PXFBQEHTOSRWBC-VHSXEESVSA-N 2 0 220.320 1.193 20 0 BDADRP Cc1c[nH+]c(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1N ZINC001164638107 719229910 /nfs/dbraw/zinc/22/99/10/719229910.db2.gz NFYUKROZCKPCQO-MNOVXSKESA-N 2 0 234.347 1.501 20 0 BDADRP Nc1cc[nH+]c(N2CC[NH+](C3CCCC3)CC2)c1 ZINC000052061002 721852497 /nfs/dbraw/zinc/85/24/97/721852497.db2.gz WLCFVOLWYXSFDU-UHFFFAOYSA-N 2 0 246.358 1.728 20 0 BDADRP CN(CC1CC[NH+](C)CC1)c1cccc(N)[nH+]1 ZINC000168788444 721932151 /nfs/dbraw/zinc/93/21/51/721932151.db2.gz DSJRQOCYMPDJPZ-UHFFFAOYSA-N 2 0 234.347 1.442 20 0 BDADRP CO[C@H]1CC[C@@H]1[N@H+](C)CCC1CC[NH2+]CC1 ZINC000724153701 958738702 /nfs/dbraw/zinc/73/87/02/958738702.db2.gz SPPVRXJKCHZJSL-STQMWFEESA-N 2 0 226.364 1.485 20 0 BDADRP C[NH2+][C@@H](CCCC[NH3+])c1nnc(C2CCC2)o1 ZINC001217702488 959558366 /nfs/dbraw/zinc/55/83/66/959558366.db2.gz KTZATYIROQVPSV-JTQLQIEISA-N 2 0 238.335 1.727 20 0 BDADRP C[C@@H]1CC[C@@H](OCC2(C)CC[NH2+]CC2)C[NH2+]1 ZINC001217909534 959742038 /nfs/dbraw/zinc/74/20/38/959742038.db2.gz FTHIUAQETNYBIM-VXGBXAGGSA-N 2 0 226.364 1.533 20 0 BDADRP CO[C@@H]1CC[N@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000300038225 959827726 /nfs/dbraw/zinc/82/77/26/959827726.db2.gz FCQNOVKGRDTLTP-VXGBXAGGSA-N 2 0 212.337 1.097 20 0 BDADRP CC[C@@]1([NH2+]CC[C@H]2CCC[N@@H+]2C)CCOC1 ZINC000393753663 959898402 /nfs/dbraw/zinc/89/84/02/959898402.db2.gz UVKDXRGBLSUQHL-CHWSQXEVSA-N 2 0 226.364 1.629 20 0 BDADRP CC(C)COCC[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000300053999 960893961 /nfs/dbraw/zinc/89/39/61/960893961.db2.gz UZTQPNUKBHUDPH-CHWSQXEVSA-N 2 0 228.380 1.576 20 0 BDADRP C[C@H]1CCC[C@H](C)N1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001157451319 963611494 /nfs/dbraw/zinc/61/14/94/963611494.db2.gz SPJIFCRGSUBPIS-SRVKXCTJSA-N 2 0 241.379 1.232 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2CC[C@@H](F)[C@@H](O)C2)CC1 ZINC001168313368 964422866 /nfs/dbraw/zinc/42/28/66/964422866.db2.gz AMSJTKKOYTXNHR-TUUUFIMRSA-N 2 0 244.354 1.264 20 0 BDADRP C[C@@H]1CN(C[C@H]2CCC[NH2+]2)C[C@H](C)S1 ZINC000226670141 965242226 /nfs/dbraw/zinc/24/22/26/965242226.db2.gz WFZLWYKFLLIITL-OUAUKWLOSA-N 2 0 214.378 1.564 20 0 BDADRP CC[C@H]1COC[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000699535681 965948496 /nfs/dbraw/zinc/94/84/96/965948496.db2.gz WZEMDHYFXJAHQP-QWHCGFSZSA-N 2 0 226.364 1.343 20 0 BDADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cn[nH]c2)CC1 ZINC001205546774 967692869 /nfs/dbraw/zinc/69/28/69/967692869.db2.gz YRARCHIGMDRYLO-LLVKDONJSA-N 2 0 226.299 1.063 20 0 BDADRP [NH3+]Cc1ccnc(N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC001162385570 967820045 /nfs/dbraw/zinc/82/00/45/967820045.db2.gz PSYGIMCYFPPFPS-MNOVXSKESA-N 2 0 220.320 1.222 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCOC2)CCC[C@@H]1C[NH3+] ZINC001205985619 967936292 /nfs/dbraw/zinc/93/62/92/967936292.db2.gz YZOUREBUGYTQEL-FRRDWIJNSA-N 2 0 226.364 1.330 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2cnco2)CC1 ZINC001206310882 968218452 /nfs/dbraw/zinc/21/84/52/968218452.db2.gz DVSALUNRNMKKBH-LBPRGKRZSA-N 2 0 223.320 1.626 20 0 BDADRP C[C@H](O)C[N@@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001251963149 968401770 /nfs/dbraw/zinc/40/17/70/968401770.db2.gz UGXCKYVUMPBZAS-IHRRRGAJSA-N 2 0 240.391 1.706 20 0 BDADRP CCCC[C@@H](O)C[NH2+]CCCC[NH+](C)C ZINC001252077058 968494490 /nfs/dbraw/zinc/49/44/90/968494490.db2.gz DAVFCQBSHHARLP-GFCCVEGCSA-N 2 0 216.369 1.469 20 0 BDADRP CCC[N@H+]1C[C@@H]2C[NH+](CC(C)(C)O)C[C@@H]2C1 ZINC001252355449 968634807 /nfs/dbraw/zinc/63/48/07/968634807.db2.gz IJHLCBYSRDBWJR-TXEJJXNPSA-N 2 0 226.364 1.031 20 0 BDADRP C[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCC[C@@H]1O ZINC001207436368 968768278 /nfs/dbraw/zinc/76/82/78/968768278.db2.gz IUGPLQGYGYEBIF-AAEUAGOBSA-N 2 0 226.364 1.079 20 0 BDADRP CC[NH+](CC)C[C@H](O)C[NH2+][C@H]1[C@H](C)CC[C@@H]1C ZINC001253216356 969116902 /nfs/dbraw/zinc/11/69/02/969116902.db2.gz MBOSKXVZGBRBGX-RQJABVFESA-N 2 0 242.407 1.713 20 0 BDADRP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H]1C[C@@H]2CC[C@H]1C2 ZINC001253214008 969115113 /nfs/dbraw/zinc/11/51/13/969115113.db2.gz MWIREIRGBBYFDK-XJFOESAGSA-N 2 0 240.391 1.467 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@@](C)(O)C2)CC1 ZINC001208597716 969151701 /nfs/dbraw/zinc/15/17/01/969151701.db2.gz LKBWFQBAYKFRJP-CQSZACIVSA-N 2 0 240.391 1.565 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CCCC(=O)CC2)CC1 ZINC001208596089 969151901 /nfs/dbraw/zinc/15/19/01/969151901.db2.gz BFYPYRUWFNVKHS-UHFFFAOYSA-N 2 0 238.375 1.773 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CCC[NH+](C)C2)CCC[C@H]1O ZINC001208608686 969164573 /nfs/dbraw/zinc/16/45/73/969164573.db2.gz VSDCXUYWWTWFSS-HZSPNIEDSA-N 2 0 240.391 1.421 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCC[NH+](C)C2)CCC[C@H]1O ZINC001208608691 969167262 /nfs/dbraw/zinc/16/72/62/969167262.db2.gz VSDCXUYWWTWFSS-MGPQQGTHSA-N 2 0 240.391 1.421 20 0 BDADRP C[C@@H]1C[N@@H+]([C@@H]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1[NH3+] ZINC000723471705 969317916 /nfs/dbraw/zinc/31/79/16/969317916.db2.gz JHXHBCMGSPQUHV-RMPHRYRLSA-N 2 0 212.337 1.221 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCC1COC1)C2 ZINC001169100331 969389926 /nfs/dbraw/zinc/38/99/26/969389926.db2.gz JGYCYLRLBLXJHX-CLLJXQQHSA-N 2 0 224.348 1.238 20 0 BDADRP CC[NH+](CC)CCN(C)Cc1c[nH+]ccc1N ZINC001209727887 969578535 /nfs/dbraw/zinc/57/85/35/969578535.db2.gz OEQUBUBUPHOPEM-UHFFFAOYSA-N 2 0 236.363 1.268 20 0 BDADRP C[C@H]([NH3+])c1ccn([C@@H]2CCC[N@H+](C)CC2)n1 ZINC001254506013 969675098 /nfs/dbraw/zinc/67/50/98/969675098.db2.gz NLRCCNDLGTWHEM-WDEREUQCSA-N 2 0 222.336 1.560 20 0 BDADRP C[N@H+]([C@@H]1CCOC1)[C@@H]1CCC[NH+](C)CC1 ZINC001254522052 969702033 /nfs/dbraw/zinc/70/20/33/969702033.db2.gz BCOUGOBFKZCYOA-VXGBXAGGSA-N 2 0 212.337 1.191 20 0 BDADRP CCC[N@H+]1C[C@@H]2C[NH+]([C@H]3CCSC3)C[C@@H]2C1 ZINC001255292675 970053983 /nfs/dbraw/zinc/05/39/83/970053983.db2.gz HULZVRPQVCRDOR-XQQFMLRXSA-N 2 0 240.416 1.766 20 0 BDADRP C[C@@H](CC(F)(F)F)NC(=[NH2+])SCC[NH3+] ZINC001255637028 970412299 /nfs/dbraw/zinc/41/22/99/970412299.db2.gz WLMALJGHUAJISX-YFKPBYRVSA-N 2 0 229.271 1.544 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)NCCC[NH+](C)C ZINC001255939178 970570250 /nfs/dbraw/zinc/57/02/50/970570250.db2.gz CZFCQCJPRUOMLD-CYBMUJFWSA-N 2 0 229.412 1.648 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)NCC[NH+]1CCCC1 ZINC001255939267 970572305 /nfs/dbraw/zinc/57/23/05/970572305.db2.gz DQHZKSMHGBZQFL-CQSZACIVSA-N 2 0 241.423 1.792 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC001255941878 970574358 /nfs/dbraw/zinc/57/43/58/970574358.db2.gz YSQGEMJRMMKJCW-MELADBBJSA-N 2 0 242.407 1.857 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]C[C@H]1C[C@@](C)(O)C1 ZINC001255942243 970576860 /nfs/dbraw/zinc/57/68/60/970576860.db2.gz DURPAABUPMIQSG-MCIONIFRSA-N 2 0 242.407 1.857 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H]1C[C@H](O)C1 ZINC001255946385 970582430 /nfs/dbraw/zinc/58/24/30/970582430.db2.gz UJECYKACHROAJI-IJLUTSLNSA-N 2 0 214.353 1.220 20 0 BDADRP CC[NH+](CC)CC[C@H](C)NC[C@H](C)C[NH3+] ZINC001255949984 970583028 /nfs/dbraw/zinc/58/30/28/970583028.db2.gz DLTPTNKSCYLQCR-NEPJUHHUSA-N 2 0 215.385 1.291 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]CCCOCCO ZINC001255950752 970584078 /nfs/dbraw/zinc/58/40/78/970584078.db2.gz KUPHGNKYAIUJPA-ZDUSSCGKSA-N 2 0 246.395 1.095 20 0 BDADRP COC[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)C1CC1 ZINC000400384341 970585273 /nfs/dbraw/zinc/58/52/73/970585273.db2.gz LJFWPAOYOVPZRI-ZWNOBZJWSA-N 2 0 226.364 1.389 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N1CC([NH+](C)C)C1 ZINC001255956793 970598460 /nfs/dbraw/zinc/59/84/60/970598460.db2.gz MKWPJIBWQABPQP-GFCCVEGCSA-N 2 0 227.396 1.353 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000400630452 970611021 /nfs/dbraw/zinc/61/10/21/970611021.db2.gz RKGMKALYWOSQSK-VXGBXAGGSA-N 2 0 212.337 1.084 20 0 BDADRP CN1CCC([N@@H+]2CCC[C@](C)(CO)CC2)CC1 ZINC001256202669 970707372 /nfs/dbraw/zinc/70/73/72/970707372.db2.gz KOTUWNPNDVEBGU-AWEZNQCLSA-N 2 0 240.391 1.565 20 0 BDADRP CC[C@@H](O)C[NH2+]C1CCC([NH+](CC)CC)CC1 ZINC001173105349 975024285 /nfs/dbraw/zinc/02/42/85/975024285.db2.gz QZVSZBFQIWBLHK-JXQTWKCFSA-N 2 0 242.407 2.000 20 0 BDADRP CC[NH+](CC)C1CCC([NH2+]C2CC([NH3+])C2)CC1 ZINC001173107914 975025828 /nfs/dbraw/zinc/02/58/28/975025828.db2.gz RUKKVWNCETUXCV-UHFFFAOYSA-N 3 0 239.407 1.719 20 0 BDADRP CC1(C)[C@@H]([NH2+]CCCC[NH3+])[C@@H]2CCC[NH2+][C@@H]21 ZINC001332403368 975082345 /nfs/dbraw/zinc/08/23/45/975082345.db2.gz VPVPMKIUZBOGFW-SRVKXCTJSA-N 3 0 225.380 1.092 20 0 BDADRP CC[N@@H+]1CC[C@@H](N2CC[NH+](CC)C[C@H]2C)C1 ZINC001173369614 975351538 /nfs/dbraw/zinc/35/15/38/975351538.db2.gz VUSCTDNWPACHME-CHWSQXEVSA-N 2 0 225.380 1.107 20 0 BDADRP C[C@@H]([NH3+])CN1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC001334337456 976453628 /nfs/dbraw/zinc/45/36/28/976453628.db2.gz JVZDTKYTFWCROP-OLZOCXBDSA-N 2 0 239.407 1.435 20 0 BDADRP CC1(C)CC[N@H+](CCNc2cc[nH+]cc2)C1 ZINC001337742680 978478764 /nfs/dbraw/zinc/47/87/64/978478764.db2.gz HNWVSQICNZDWNJ-UHFFFAOYSA-N 2 0 219.332 1.647 20 0 BDADRP C[NH2+][C@H](C)CCNC[C@@H]([NH3+])CCC(C)(C)C ZINC001337837285 978521308 /nfs/dbraw/zinc/52/13/08/978521308.db2.gz AJHUTGLQLQQUEY-NEPJUHHUSA-N 2 0 229.412 1.728 20 0 BDADRP CCOCC[NH+]1CCC2(CCC[N@H+](C)C2)CC1 ZINC001277856899 978836308 /nfs/dbraw/zinc/83/63/08/978836308.db2.gz XDFTYBARAWUPLK-UHFFFAOYSA-N 2 0 240.391 1.831 20 0 BDADRP CC[C@@H]1C[N@H+](CC2CC[NH+](CC)CC2)CCO1 ZINC001180540397 978902189 /nfs/dbraw/zinc/90/21/89/978902189.db2.gz LFELQMCWBKHURE-CQSZACIVSA-N 2 0 240.391 1.829 20 0 BDADRP [NH3+]CCCCN1CCCCC12CC[NH2+]CC2 ZINC001235191662 978991171 /nfs/dbraw/zinc/99/11/71/978991171.db2.gz UXCYZERSNNJFCD-UHFFFAOYSA-N 2 0 225.380 1.333 20 0 BDADRP CC[C@H]1C[NH2+]CCN1CC[C@@H]1CCCC[NH2+]1 ZINC001235769645 979143376 /nfs/dbraw/zinc/14/33/76/979143376.db2.gz SFLAYEMQKZNMKI-STQMWFEESA-N 2 0 225.380 1.202 20 0 BDADRP CC1=C[C@H](C)[C@H](CN(CC[NH3+])CC[NH3+])CC1 ZINC001235878001 979178590 /nfs/dbraw/zinc/17/85/90/979178590.db2.gz YIWQZTANZGCCRK-STQMWFEESA-N 2 0 225.380 1.198 20 0 BDADRP Cc1noc(C2CC[NH+](CCCC[NH3+])CC2)n1 ZINC001235972321 979237892 /nfs/dbraw/zinc/23/78/92/979237892.db2.gz GPMOSSBMGACLCL-UHFFFAOYSA-N 2 0 238.335 1.296 20 0 BDADRP CN(CC1(F)CC[NH2+]CC1)[C@]1(C)CCC[NH2+]C1 ZINC001236200569 979444230 /nfs/dbraw/zinc/44/42/30/979444230.db2.gz IBUSCMKFUQTNRQ-GFCCVEGCSA-N 2 0 243.370 1.152 20 0 BDADRP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2CCCCF ZINC001278206160 980233999 /nfs/dbraw/zinc/23/39/99/980233999.db2.gz ZUGPWEOLQXTYPZ-BETUJISGSA-N 2 0 243.370 1.056 20 0 BDADRP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000075151066 980481354 /nfs/dbraw/zinc/48/13/54/980481354.db2.gz VXQRKWJZZGZNLG-LLVKDONJSA-N 2 0 222.336 1.197 20 0 BDADRP CCCCCOC(=O)NCCC[NH2+]CCC[NH3+] ZINC001239325461 980533371 /nfs/dbraw/zinc/53/33/71/980533371.db2.gz QPYDJPGYBDCBSM-UHFFFAOYSA-N 2 0 245.367 1.231 20 0 BDADRP [NH3+]C[C@]1(F)CCC[N@H+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC001205537919 980909409 /nfs/dbraw/zinc/90/94/09/980909409.db2.gz KPNXBFXHZOUXLF-OLZOCXBDSA-N 3 0 243.370 1.139 20 0 BDADRP CCC[C@@H](O)C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC001252810036 983908368 /nfs/dbraw/zinc/90/83/68/983908368.db2.gz XFVQHAWMBOAHJE-JXQTWKCFSA-N 2 0 242.407 1.857 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])C[NH2+][C@@H]1CC[C@H]1O ZINC001575131884 984124920 /nfs/dbraw/zinc/12/49/20/984124920.db2.gz XUIYVIXXXSLBEV-HBNTYKKESA-N 2 0 214.353 1.253 20 0 BDADRP CCOCC[C@H](C)[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001172429732 974710604 /nfs/dbraw/zinc/71/06/04/974710604.db2.gz CGZUPJUYCVARJP-ZDUSSCGKSA-N 2 0 240.391 1.829 20 0 BDADRP CC(C)COCC[C@@H](C)[NH2+]C1CC([NH3+])C1 ZINC001172465528 974828531 /nfs/dbraw/zinc/82/85/31/974828531.db2.gz WFIVXFRHUXTAPL-VOMCLLRMSA-N 2 0 214.353 1.517 20 0 BDADRP Cc1ncsc1C[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222533030 972555120 /nfs/dbraw/zinc/55/51/20/972555120.db2.gz RJVNYOKSMWXYGX-UHFFFAOYSA-N 2 0 243.351 1.714 20 0 BDADRP C[C@@H]1CC[C@H](C[NH3+])N([C@@H]2CCC[NH2+]CC2)C1 ZINC001246556504 972765741 /nfs/dbraw/zinc/76/57/41/972765741.db2.gz JLJHHKMPVILWSX-JHJVBQTASA-N 2 0 225.380 1.188 20 0 BDADRP CCOC1CCC([N@H+](C)C[C@@H](C)C[NH3+])CC1 ZINC001256432239 970838784 /nfs/dbraw/zinc/83/87/84/970838784.db2.gz VEIGZZFQNKONRD-HIFPTAJRSA-N 2 0 228.380 1.861 20 0 BDADRP [NH3+]CCONC1CC[NH+](Cc2ccccc2)CC1 ZINC001256597235 970870068 /nfs/dbraw/zinc/87/00/68/970870068.db2.gz QVUSPKHQENEWJQ-UHFFFAOYSA-N 2 0 249.358 1.131 20 0 BDADRP COC[C@@H]1CC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256629781 970892205 /nfs/dbraw/zinc/89/22/05/970892205.db2.gz AUWLOQOHCSDFAB-FXJUQPSGSA-N 2 0 224.348 1.332 20 0 BDADRP COC[C@H]1CC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256629780 970894462 /nfs/dbraw/zinc/89/44/62/970894462.db2.gz AUWLOQOHCSDFAB-DAAZQVBGSA-N 2 0 224.348 1.332 20 0 BDADRP C[C@H](C[NH3+])C[N@H+](C)[C@H](C)Cc1ccncc1 ZINC001256726735 970949097 /nfs/dbraw/zinc/94/90/97/970949097.db2.gz BLLOASLMTXXPHI-VXGBXAGGSA-N 2 0 221.348 1.539 20 0 BDADRP [NH3+]Cc1cncn1[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256894273 971015146 /nfs/dbraw/zinc/01/51/46/971015146.db2.gz GMVUDNFZNPWOKW-CYBMUJFWSA-N 2 0 248.374 1.921 20 0 BDADRP COC(=O)[C@@H]1CC[C@@H]([N@H+](C)CCC[NH+](C)C)C1 ZINC001170535433 971107783 /nfs/dbraw/zinc/10/77/83/971107783.db2.gz AXYQDHKZFUUZFR-VXGBXAGGSA-N 2 0 242.363 1.212 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]CCc2ncccn2)CC1 ZINC001257208520 971122870 /nfs/dbraw/zinc/12/28/70/971122870.db2.gz KNGWANABOLLUFK-UHFFFAOYSA-N 2 0 248.374 1.482 20 0 BDADRP CC[C@H]1C[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)[C@@H](CC)CO1 ZINC000404107019 971126329 /nfs/dbraw/zinc/12/63/29/971126329.db2.gz UOGSKHMQIPQOQP-RFGFWPKPSA-N 2 0 240.391 1.731 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]CCc2ccncn2)CC1 ZINC001257213883 971126462 /nfs/dbraw/zinc/12/64/62/971126462.db2.gz WKRWBFMJBIWOSU-UHFFFAOYSA-N 2 0 248.374 1.482 20 0 BDADRP C[C@@H](Nc1cc2cc[nH]c2cn1)[C@H]1C[NH2+]CCO1 ZINC001170559370 971172348 /nfs/dbraw/zinc/17/23/48/971172348.db2.gz WPYMDVWQNHUYNB-BXKDBHETSA-N 2 0 246.314 1.352 20 0 BDADRP Cc1cc[nH+]c(N[C@@H](C)[C@H]2C[NH2+]CCO2)c1C ZINC001170563588 971190683 /nfs/dbraw/zinc/19/06/83/971190683.db2.gz MNSUYWVZXJEUTN-NWDGAFQWSA-N 2 0 235.331 1.487 20 0 BDADRP C[C@H](O)CCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405207745 971209038 /nfs/dbraw/zinc/20/90/38/971209038.db2.gz BCXHNCQPKZXRJR-AXFHLTTASA-N 2 0 212.337 1.007 20 0 BDADRP CC(C)[NH+]1CCC(OC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001224817573 973997584 /nfs/dbraw/zinc/99/75/84/973997584.db2.gz UJMZNGKPDHSFOZ-ZDUSSCGKSA-N 2 0 240.391 1.970 20 0 BDADRP COCCC1(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000405241089 971218184 /nfs/dbraw/zinc/21/81/84/971218184.db2.gz WCBIUYQMBABUGY-RYUDHWBXSA-N 2 0 238.375 1.663 20 0 BDADRP C[C@H](Nc1cc[nH+]c(C2CC2)c1)[C@@H]1C[NH2+]CCO1 ZINC001170572871 971227187 /nfs/dbraw/zinc/22/71/87/971227187.db2.gz IERDNVBDSXRSTD-HZMBPMFUSA-N 2 0 247.342 1.748 20 0 BDADRP CS[C@H](C)C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405318371 971232435 /nfs/dbraw/zinc/23/24/35/971232435.db2.gz QFGPJFPRVKGKJV-UTLUCORTSA-N 2 0 214.378 1.597 20 0 BDADRP CCC[C@@H](C)[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001257326306 971229124 /nfs/dbraw/zinc/22/91/24/971229124.db2.gz VCRWUAZJPBSWTC-CQSZACIVSA-N 2 0 241.423 1.744 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC=CO2)C12CCC2 ZINC000405304294 971233451 /nfs/dbraw/zinc/23/34/51/971233451.db2.gz KARTVPBTSNJGLQ-QJPTWQEYSA-N 2 0 222.332 1.539 20 0 BDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCCOC(F)(F)F ZINC000405306845 971233718 /nfs/dbraw/zinc/23/37/18/971233718.db2.gz XYZPYNHUBVSEKY-YUMQZZPRSA-N 2 0 240.269 1.628 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2CCC=CO2)C12CCC2 ZINC000405304299 971234289 /nfs/dbraw/zinc/23/42/89/971234289.db2.gz KARTVPBTSNJGLQ-UTUOFQBUSA-N 2 0 222.332 1.539 20 0 BDADRP COCC[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405325816 971237468 /nfs/dbraw/zinc/23/74/68/971237468.db2.gz WZQQWYSRWZBQAU-HBNTYKKESA-N 2 0 212.337 1.271 20 0 BDADRP CCOC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)C(C)C ZINC000405357089 971240931 /nfs/dbraw/zinc/24/09/31/971240931.db2.gz RRKPEUPFJWNKGY-RWMBFGLXSA-N 2 0 240.391 1.907 20 0 BDADRP CC[C@H](COC)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405368052 971241966 /nfs/dbraw/zinc/24/19/66/971241966.db2.gz XMVUSVCQPMEJKK-OUAUKWLOSA-N 2 0 212.337 1.271 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]CCCOCC2CC2)C12CCC2 ZINC000405358921 971242978 /nfs/dbraw/zinc/24/29/78/971242978.db2.gz SPIKCJCJDARERQ-QWHCGFSZSA-N 2 0 238.375 1.663 20 0 BDADRP CC[NH+](CC)CCCN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405355398 971243438 /nfs/dbraw/zinc/24/34/38/971243438.db2.gz QPHWKFXOQDPOAD-QWHCGFSZSA-N 2 0 239.407 1.578 20 0 BDADRP COCCCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405365562 971244663 /nfs/dbraw/zinc/24/46/63/971244663.db2.gz WDQGAAGGGGURJV-WDEREUQCSA-N 2 0 212.337 1.273 20 0 BDADRP COCCCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405365152 971244684 /nfs/dbraw/zinc/24/46/84/971244684.db2.gz WDQGAAGGGGURJV-GHMZBOCLSA-N 2 0 212.337 1.273 20 0 BDADRP CC[NH+](CC)CCN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405382927 971247626 /nfs/dbraw/zinc/24/76/26/971247626.db2.gz DJBXYLQDOCJBEX-NWDGAFQWSA-N 2 0 225.380 1.188 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405377422 971246071 /nfs/dbraw/zinc/24/60/71/971246071.db2.gz BTVBHCQKDSDYBP-NWDGAFQWSA-N 3 0 225.380 1.188 20 0 BDADRP CCC[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)OC ZINC000405392334 971246162 /nfs/dbraw/zinc/24/61/62/971246162.db2.gz HBSKLVSDDGMTKC-GRYCIOLGSA-N 2 0 226.364 1.661 20 0 BDADRP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405454904 971257799 /nfs/dbraw/zinc/25/77/99/971257799.db2.gz YMJKPKRIMJLVJM-XWLWVQCSSA-N 2 0 224.348 1.005 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC[C@H]2CCOC2)C12CCC2 ZINC000405399937 971248977 /nfs/dbraw/zinc/24/89/77/971248977.db2.gz JTVADCMATZQRCM-QJPTWQEYSA-N 2 0 224.348 1.273 20 0 BDADRP C[C@H](CC[NH+](C)C)N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405416440 971255238 /nfs/dbraw/zinc/25/52/38/971255238.db2.gz OMUOUJMRMOFALP-GRYCIOLGSA-N 2 0 225.380 1.186 20 0 BDADRP CC(F)(F)CC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405414235 971256750 /nfs/dbraw/zinc/25/67/50/971256750.db2.gz NXVXOWRJBYNKOP-IUCAKERBSA-N 2 0 218.291 1.891 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405457869 971259124 /nfs/dbraw/zinc/25/91/24/971259124.db2.gz ZEMRLIDQNVGDGR-SRVKXCTJSA-N 2 0 226.364 1.255 20 0 BDADRP [NH3+][C@@H]1C[C@@H](N[C@H]2CC[N@@H+](C3CC3)C2)C12CCC2 ZINC000405483150 971262765 /nfs/dbraw/zinc/26/27/65/971262765.db2.gz NLNHPKNTGXLEIM-CYZMBNFOSA-N 2 0 235.375 1.083 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCCOC2)C12CCC2 ZINC000405518018 971266309 /nfs/dbraw/zinc/26/63/09/971266309.db2.gz UWHFAFOSQSTVLJ-AXFHLTTASA-N 2 0 210.321 1.025 20 0 BDADRP C[NH+]1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001257355889 971269197 /nfs/dbraw/zinc/26/91/97/971269197.db2.gz JYABSWWTUKFKJY-UHFFFAOYSA-N 2 0 208.349 1.957 20 0 BDADRP C[N@H+](CCN1CC[NH+](C)CC1)C1CCCC1 ZINC001257355579 971270954 /nfs/dbraw/zinc/27/09/54/971270954.db2.gz ARCSBBJQIFSLGO-UHFFFAOYSA-N 2 0 225.380 1.108 20 0 BDADRP CCCCCC[C@H](C)[NH2+]C[C@H](O)C[NH3+] ZINC001257360171 971276536 /nfs/dbraw/zinc/27/65/36/971276536.db2.gz KGMJIZLSCDBNJM-WDEREUQCSA-N 2 0 202.342 1.255 20 0 BDADRP C[C@@H]1[C@@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CO[C@H]1C ZINC000405562671 971276595 /nfs/dbraw/zinc/27/65/95/971276595.db2.gz ARABXHXDVHKTKV-HPCHECBXSA-N 2 0 238.375 1.626 20 0 BDADRP C[C@@H]1[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)CO[C@H]1C ZINC000405712791 971295562 /nfs/dbraw/zinc/29/55/62/971295562.db2.gz GUKMMQQBDHDRPY-SRVKXCTJSA-N 2 0 228.380 1.587 20 0 BDADRP CCCC[C@@H](CC)[NH2+]CCOCC[NH3+] ZINC001257409695 971298552 /nfs/dbraw/zinc/29/85/52/971298552.db2.gz GBPZFCRPFURGCT-LLVKDONJSA-N 2 0 202.342 1.520 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@H]1CO[C@@H](C)[C@H]1C ZINC000405795340 971302925 /nfs/dbraw/zinc/30/29/25/971302925.db2.gz UDTQHXDEMKETAR-AGIUHOORSA-N 2 0 228.380 1.730 20 0 BDADRP C[NH2+][C@@H](CCCC[NH3+])c1nnc([C@@H]2C[C@H]2C)o1 ZINC001217704131 971344243 /nfs/dbraw/zinc/34/42/43/971344243.db2.gz SUWLESWPBPQQMX-BBBLOLIVSA-N 2 0 238.335 1.583 20 0 BDADRP CC[C@H](C)[N@H+](CCC[NH+](C)C)CCC(=O)OC ZINC001257444434 971356935 /nfs/dbraw/zinc/35/69/35/971356935.db2.gz ISAAAMIRGKZBTJ-LBPRGKRZSA-N 2 0 244.379 1.602 20 0 BDADRP CC(C)Cc1nnc(C[C@@H]([NH3+])CCCC[NH3+])o1 ZINC001217718658 971358321 /nfs/dbraw/zinc/35/83/21/971358321.db2.gz YVEHFJCSGACKLR-JTQLQIEISA-N 2 0 240.351 1.267 20 0 BDADRP C[NH2+][C@H]1C[C@H](OCCCCC2CC[NH2+]CC2)C1 ZINC001217763607 971391131 /nfs/dbraw/zinc/39/11/31/971391131.db2.gz KIFZZKOHSHGXLC-HDJSIYSDSA-N 2 0 240.391 1.923 20 0 BDADRP C[NH2+][C@H]1C[C@H](OCCCC2CC[NH2+]CC2)C1 ZINC001217762040 971391502 /nfs/dbraw/zinc/39/15/02/971391502.db2.gz ALGGIZZEMXDDKY-JOCQHMNTSA-N 2 0 226.364 1.533 20 0 BDADRP F[C@@H]1CCC[NH2+]C[C@@H]1OCC[C@H]1CCC[NH2+]C1 ZINC001217774162 971396010 /nfs/dbraw/zinc/39/60/10/971396010.db2.gz NGMJTHVNPZKKLP-UPJWGTAASA-N 2 0 244.354 1.483 20 0 BDADRP CC(C)(C[NH3+])CO[C@H]1CCCC[NH2+]C1 ZINC001217771786 971398200 /nfs/dbraw/zinc/39/82/00/971398200.db2.gz DAAIJUNZOZVNQK-JTQLQIEISA-N 2 0 200.326 1.130 20 0 BDADRP C[C@H]1C[NH2+]CCC[C@@H]1OCC1(C)CC[NH2+]CC1 ZINC001217778166 971399209 /nfs/dbraw/zinc/39/92/09/971399209.db2.gz KPMGZAZBXNOLMG-STQMWFEESA-N 2 0 240.391 1.781 20 0 BDADRP C[C@@H]1C[NH2+]CCC[C@@H]1OC[C@@H]1CCC[NH2+]C1 ZINC001217779672 971400411 /nfs/dbraw/zinc/40/04/11/971400411.db2.gz NZEWPTXMXYRKFD-UPJWGTAASA-N 2 0 226.364 1.391 20 0 BDADRP C[C@@H]1C[C@@H](OCc2ccc3c(c2)CC[NH2+]C3)C[NH2+]1 ZINC001217787761 971406875 /nfs/dbraw/zinc/40/68/75/971406875.db2.gz VBFWUKQXJSWERI-IAQYHMDHSA-N 2 0 246.354 1.599 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1OCC[C@H]1CCC[NH2+]C1 ZINC001217789533 971408271 /nfs/dbraw/zinc/40/82/71/971408271.db2.gz PHDSQMTUXVCDEP-MCIONIFRSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1OCC[C@@H]1CCC[NH2+]C1 ZINC001217789529 971408770 /nfs/dbraw/zinc/40/87/70/971408770.db2.gz PHDSQMTUXVCDEP-HZSPNIEDSA-N 2 0 240.391 1.781 20 0 BDADRP C(C[C@H]1CC[NH2+]C1)OC1[C@@H]2CCC[C@H]1C[NH2+]C2 ZINC001217810768 971417217 /nfs/dbraw/zinc/41/72/17/971417217.db2.gz SCXRQOFRTGZBPE-HABKJSAYSA-N 2 0 238.375 1.391 20 0 BDADRP CCCCC[C@@H](C)N[C@H](CCC[NH3+])C(=O)OC ZINC001257501983 971419035 /nfs/dbraw/zinc/41/90/35/971419035.db2.gz OVIWEVXHLTUAOQ-VXGBXAGGSA-N 2 0 244.379 1.825 20 0 BDADRP CCCCC[C@H](C)N[C@H](CCC[NH3+])C(=O)OC ZINC001257501982 971419593 /nfs/dbraw/zinc/41/95/93/971419593.db2.gz OVIWEVXHLTUAOQ-NWDGAFQWSA-N 2 0 244.379 1.825 20 0 BDADRP C(O[C@H]1CC[C@@H]2CCC[C@H]1[NH2+]2)[C@H]1CC[NH2+]1 ZINC001217822340 971420750 /nfs/dbraw/zinc/42/07/50/971420750.db2.gz DLUVSLLAIFGGKH-QCNOEVLYSA-N 2 0 210.321 1.038 20 0 BDADRP CC[NH+](CC)C[C@@H](C)OC[C@H]1CCC[NH2+]C1 ZINC001217829742 971423079 /nfs/dbraw/zinc/42/30/79/971423079.db2.gz SDFOMTOFIAUUAS-OLZOCXBDSA-N 2 0 228.380 1.733 20 0 BDADRP F[C@@H]1[C@H]2CC[C@@H](C[C@H]1OC[C@H]1CCC[NH2+]C1)[NH2+]2 ZINC001217858147 971449014 /nfs/dbraw/zinc/44/90/14/971449014.db2.gz QOJYXSQRLUHGKQ-KIJLLGNVSA-N 2 0 242.338 1.234 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]1OCC[C@@H]1CCC[NH2+]C1 ZINC001217879380 971476822 /nfs/dbraw/zinc/47/68/22/971476822.db2.gz RWRGEQWQWKYDDN-STQMWFEESA-N 2 0 240.391 1.781 20 0 BDADRP C1=C[C@H](OCCC[C@@H]2CCC[NH2+]C2)C[NH2+]C1 ZINC001217883159 971478078 /nfs/dbraw/zinc/47/80/78/971478078.db2.gz QCGUKYRPICJOPQ-STQMWFEESA-N 2 0 224.348 1.311 20 0 BDADRP CC(C)[N@@H+]1CCC[C@H](OC[C@@H]2CCC[NH2+]C2)C1 ZINC001217889183 971485708 /nfs/dbraw/zinc/48/57/08/971485708.db2.gz DPMASRLIEZBEQG-KGLIPLIRSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1CC[C@@H](OCCCCCC[NH3+])C[NH2+]1 ZINC001217909273 971508180 /nfs/dbraw/zinc/50/81/80/971508180.db2.gz FBQIFSFPBUNMBQ-VXGBXAGGSA-N 2 0 214.353 1.663 20 0 BDADRP C(O[C@@H]1C[NH2+]CCC12CC2)[C@H]1CCC[NH2+]C1 ZINC001217910831 971513102 /nfs/dbraw/zinc/51/31/02/971513102.db2.gz BEFQLVSFXFXSQN-NWDGAFQWSA-N 2 0 224.348 1.145 20 0 BDADRP C[C@@H]1CC[C@@H](OCCC2CC[NH2+]CC2)C[NH2+]1 ZINC001217913105 971511385 /nfs/dbraw/zinc/51/13/85/971511385.db2.gz RGYHPLOMZNVOBT-DGCLKSJQSA-N 2 0 226.364 1.533 20 0 BDADRP [NH3+]CCCCCCO[C@H]1C[NH2+]CCC12CC2 ZINC001217913855 971514666 /nfs/dbraw/zinc/51/46/66/971514666.db2.gz OFOVOZRDPPDPPF-LBPRGKRZSA-N 2 0 226.364 1.664 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]C1CCC2(COC2)CC1 ZINC001257904391 971534801 /nfs/dbraw/zinc/53/48/01/971534801.db2.gz FGVWPTSKJQCGCT-NWDGAFQWSA-N 2 0 224.348 1.415 20 0 BDADRP CCCC[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133434354 971538627 /nfs/dbraw/zinc/53/86/27/971538627.db2.gz NNVOAFZQZBHJIJ-GFCCVEGCSA-N 2 0 243.395 1.079 20 0 BDADRP C[NH2+][C@H]1C[C@H](Oc2cccc3c2CC[NH2+]C3)C1 ZINC001217952247 971541646 /nfs/dbraw/zinc/54/16/46/971541646.db2.gz UKIDZUHSXNJHJB-HAQNSBGRSA-N 2 0 232.327 1.462 20 0 BDADRP c1cc2c(c(O[C@H]3CCCC[NH2+]C3)c1)C[NH2+]C2 ZINC001217974507 971558623 /nfs/dbraw/zinc/55/86/23/971558623.db2.gz NUVBQQNCHSBBTE-LBPRGKRZSA-N 2 0 232.327 1.811 20 0 BDADRP [NH3+]Cc1ccc(O[C@@H]2C[NH2+]CCC[C@H]2F)cc1 ZINC001217985745 971562967 /nfs/dbraw/zinc/56/29/67/971562967.db2.gz RHASASKCCUPDPX-CHWSQXEVSA-N 2 0 238.306 1.614 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1Oc1ccccc1C[NH3+] ZINC001218028286 971577725 /nfs/dbraw/zinc/57/77/25/971577725.db2.gz FBEBCSKZFZFHRM-DGCLKSJQSA-N 2 0 234.343 1.912 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1Oc1ccc2c(c1)C[NH2+]C2 ZINC001218036470 971582280 /nfs/dbraw/zinc/58/22/80/971582280.db2.gz YVRDWSFPANPXBB-NOZJJQNGSA-N 2 0 218.300 1.277 20 0 BDADRP F[C@@H]1C[NH2+]CC[C@H]1Oc1ccc2c(c1)C[NH2+]C2 ZINC001218065061 971595477 /nfs/dbraw/zinc/59/54/77/971595477.db2.gz CRBQLRIFIIFZMR-CHWSQXEVSA-N 2 0 236.290 1.369 20 0 BDADRP [NH3+]Cc1cccc(O[C@H]2[C@@H]3C[C@H]2C[NH2+]C3)c1 ZINC001218149587 971607846 /nfs/dbraw/zinc/60/78/46/971607846.db2.gz QBAGIZJIWIRQIJ-PJXYFTJBSA-N 2 0 218.300 1.132 20 0 BDADRP Cc1c[nH+]c(N2CCC3(C[NH2+]C3)CC2)cc1N ZINC001159043387 971648072 /nfs/dbraw/zinc/64/80/72/971648072.db2.gz YJPLPTFTIGVFPT-UHFFFAOYSA-N 2 0 232.331 1.162 20 0 BDADRP C[NH+](C)Cc1ccc(O[C@H]2CCC[NH2+]C2)cc1 ZINC001218277697 971669268 /nfs/dbraw/zinc/66/92/68/971669268.db2.gz ITPXNUAASYRUKC-AWEZNQCLSA-N 2 0 234.343 1.879 20 0 BDADRP C[C@H](C[NH3+])C[N@H+](C)[C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170729756 971671784 /nfs/dbraw/zinc/67/17/84/971671784.db2.gz GJDWLBIQLYBQJX-WISYIIOYSA-N 2 0 210.365 1.948 20 0 BDADRP CC(C)Oc1cc[nH+]c(NCC2C[NH+](C)C2)c1 ZINC001159219773 971743750 /nfs/dbraw/zinc/74/37/50/971743750.db2.gz MXRRTDCLEWIWQI-UHFFFAOYSA-N 2 0 235.331 1.842 20 0 BDADRP C[C@@H]1CC[C@@H](Oc2ccccc2C[NH3+])C[NH2+]1 ZINC001218405853 971778620 /nfs/dbraw/zinc/77/86/20/971778620.db2.gz MNJVGLRCDZCUEI-ZYHUDNBSSA-N 2 0 220.316 1.665 20 0 BDADRP [NH3+]Cc1cccc(O[C@@H]2C[NH2+]CCC23CC3)c1 ZINC001218403485 971780600 /nfs/dbraw/zinc/78/06/00/971780600.db2.gz JBKCETWCCGKMOM-CYBMUJFWSA-N 2 0 232.327 1.666 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+][C@H]2CCCOCC2)C1 ZINC001170770720 971781477 /nfs/dbraw/zinc/78/14/77/971781477.db2.gz INMXTXIKBVXPLP-SDDRHHMPSA-N 2 0 212.337 1.415 20 0 BDADRP C[C@@H]([NH3+])CN[C@@H]1c2ccccc2NC1(C)C ZINC001330832917 974498746 /nfs/dbraw/zinc/49/87/46/974498746.db2.gz VFEJAZAFKOHWDI-BXKDBHETSA-N 2 0 219.332 1.869 20 0 BDADRP [NH3+]Cc1ccc(O[C@H]2[C@@H]3CC[C@H]2[NH2+]C3)cc1 ZINC001218449037 971821382 /nfs/dbraw/zinc/82/13/82/971821382.db2.gz PSDWVTVFHHIJLH-RTXFEEFZSA-N 2 0 218.300 1.275 20 0 BDADRP C[C@@H](C[NH+]1CCC(F)(C[NH3+])CC1)C(F)(F)F ZINC001222527148 972540907 /nfs/dbraw/zinc/54/09/07/972540907.db2.gz JIDDGUIUVZQDFU-QMMMGPOBSA-N 2 0 242.260 1.948 20 0 BDADRP C[NH+](C)CCC(C)(C)[NH2+][C@@H]1CCCOCC1 ZINC001170788916 971826575 /nfs/dbraw/zinc/82/65/75/971826575.db2.gz VVJFQRLEAPOOEX-GFCCVEGCSA-N 2 0 228.380 1.875 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC000217560041 971827346 /nfs/dbraw/zinc/82/73/46/971827346.db2.gz LWXQQJQKJUKHST-GXTWGEPZSA-N 2 0 234.343 1.391 20 0 BDADRP [NH3+]CCc1ccc(O[C@@H]2CC[C@@H]3C[NH2+]C[C@H]23)cc1 ZINC001218473323 971828562 /nfs/dbraw/zinc/82/85/62/971828562.db2.gz QNVGJBNPKNREIG-VHDGCEQUSA-N 2 0 246.354 1.565 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1Oc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC001218483716 971830709 /nfs/dbraw/zinc/83/07/09/971830709.db2.gz ZTGLBGAGDRYJRZ-KAOXEZKKSA-N 2 0 246.354 1.878 20 0 BDADRP C[C@@H](C[NH3+])C[N@H+](C)[C@H]1CCCOCC1 ZINC001170792823 971833339 /nfs/dbraw/zinc/83/33/39/971833339.db2.gz TXSNANOTDBPMGD-QWRGUYRKSA-N 2 0 200.326 1.082 20 0 BDADRP [NH3+]CC1(F)CC[NH+](CC2CCC2)CC1 ZINC001222527467 972542919 /nfs/dbraw/zinc/54/29/19/972542919.db2.gz MTKRVZZODWUNHQ-UHFFFAOYSA-N 2 0 200.301 1.549 20 0 BDADRP C[NH+](C)C1CCC([NH2+]C[C@@H]2CCCO2)CC1 ZINC000309921383 971883320 /nfs/dbraw/zinc/88/33/20/971883320.db2.gz SGOICGYJQFZURU-BPCQOVAHSA-N 2 0 226.364 1.628 20 0 BDADRP C[NH+](C)C1CCC([NH2+]CCC(C)(C)O)CC1 ZINC000309918939 971879564 /nfs/dbraw/zinc/87/95/64/971879564.db2.gz QYCXESJLLRREIJ-UHFFFAOYSA-N 2 0 228.380 1.610 20 0 BDADRP CC[N@H+](CCC[NH+](C)C)[C@@H]1CCCOCC1 ZINC001170833656 971951271 /nfs/dbraw/zinc/95/12/71/971951271.db2.gz JVGJXUZFTHNWPB-CYBMUJFWSA-N 2 0 228.380 1.829 20 0 BDADRP C[C@@H](C[NH3+])C(=O)Nc1ccc(C2([NH3+])CCC2)cc1 ZINC001218972390 971970324 /nfs/dbraw/zinc/97/03/24/971970324.db2.gz MYRNBUNVQGPGJG-JTQLQIEISA-N 2 0 247.342 1.558 20 0 BDADRP CC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@H+](C)CC ZINC001135860514 971983492 /nfs/dbraw/zinc/98/34/92/971983492.db2.gz CVYHYCBZLSPWOA-NEPJUHHUSA-N 2 0 243.395 1.221 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)C[C@H]2CCCC[NH2+]2)cc1 ZINC001219349661 972006349 /nfs/dbraw/zinc/00/63/49/972006349.db2.gz SPQIPLSRNHEENR-CYBMUJFWSA-N 2 0 247.342 1.616 20 0 BDADRP C[C@@H]([NH3+])CCNc1ccc2[nH]c(N)[nH+]c2c1 ZINC001170890095 972040217 /nfs/dbraw/zinc/04/02/17/972040217.db2.gz DSRNPCOYNSSOEL-SSDOTTSWSA-N 2 0 219.292 1.294 20 0 BDADRP C[C@@H]([NH3+])CCNc1cc[nH+]cc1C(F)(F)F ZINC001170891464 972045044 /nfs/dbraw/zinc/04/50/44/972045044.db2.gz YIPISYJOFSKBCJ-SSDOTTSWSA-N 2 0 233.237 1.672 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccnc(OC(F)F)c1 ZINC001170901280 972048833 /nfs/dbraw/zinc/04/88/33/972048833.db2.gz YEWNUHDQPSAXTG-QMMMGPOBSA-N 2 0 246.261 1.119 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ncnc2c1CCCCC2 ZINC001170899084 972060352 /nfs/dbraw/zinc/06/03/52/972060352.db2.gz WZXBBGARYKJJMG-LBPRGKRZSA-N 2 0 249.362 1.181 20 0 BDADRP Cc1noc2ccc(N[C@@H]([NH3+])CCC[NH3+])cc12 ZINC001170900452 972062708 /nfs/dbraw/zinc/06/27/08/972062708.db2.gz LKBPSYHIJOZRBD-GFCCVEGCSA-N 2 0 234.303 1.572 20 0 BDADRP Cc1cc2cc[nH]c2c(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001170899990 972063073 /nfs/dbraw/zinc/06/30/73/972063073.db2.gz ZJGUNMRAGPOIOR-SNVBAGLBSA-N 2 0 233.319 1.307 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1cnc2ccoc2c1 ZINC001170900037 972064182 /nfs/dbraw/zinc/06/41/82/972064182.db2.gz OJMVEERQPBTJJK-NSHDSACASA-N 2 0 220.276 1.263 20 0 BDADRP Cc1cncc2cccc(N[C@H]([NH3+])CCC[NH3+])c12 ZINC001170900318 972064665 /nfs/dbraw/zinc/06/46/65/972064665.db2.gz RWZPZLZVRRMSJG-ZDUSSCGKSA-N 2 0 244.342 1.979 20 0 BDADRP Cc1ccc(N[C@@H]([NH3+])CCC[NH3+])c2cc[nH]c21 ZINC001170900408 972065156 /nfs/dbraw/zinc/06/51/56/972065156.db2.gz KYDFHLBGYNBACX-GFCCVEGCSA-N 2 0 232.331 1.912 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1cncc(C2CC2)c1 ZINC001170900457 972066114 /nfs/dbraw/zinc/06/61/14/972066114.db2.gz LLQHKZVIJXDILR-LBPRGKRZSA-N 2 0 220.320 1.395 20 0 BDADRP C[C@H]([NH3+])c1ccc(N[C@@H]([NH3+])CCC[NH3+])cc1 ZINC001170900449 972066385 /nfs/dbraw/zinc/06/63/85/972066385.db2.gz LJENWUIYJSNAOR-JOYOIKCWSA-N 3 0 222.336 1.142 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1cccc(C2COC2)c1 ZINC001170901244 972068190 /nfs/dbraw/zinc/06/81/90/972068190.db2.gz XKGVFKILRUPSIV-ZDUSSCGKSA-N 2 0 235.331 1.236 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1cccc2cnncc21 ZINC001170903689 972074665 /nfs/dbraw/zinc/07/46/65/972074665.db2.gz KDSGOGKFYKZERU-LBPRGKRZSA-N 2 0 231.303 1.065 20 0 BDADRP COc1cccc(N[C@@H]([NH3+])CCC[NH3+])c1 ZINC001170900917 972070693 /nfs/dbraw/zinc/07/06/93/972070693.db2.gz ZPDIBZKPDUZWRU-LLVKDONJSA-N 2 0 209.293 1.131 20 0 BDADRP CCc1ccc(F)c(N[C@H]([NH3+])CCC[NH3+])c1 ZINC001170903470 972074695 /nfs/dbraw/zinc/07/46/95/972074695.db2.gz KBAFHBZVCHKEDL-LBPRGKRZSA-N 2 0 225.311 1.824 20 0 BDADRP CC(C)(C)c1ccnc(N[C@H]([NH3+])CCC[NH3+])c1 ZINC001170902877 972073045 /nfs/dbraw/zinc/07/30/45/972073045.db2.gz GSFFJOBVJIGBTA-NSHDSACASA-N 2 0 236.363 1.815 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1cccc2cnncc21 ZINC001170903688 972075592 /nfs/dbraw/zinc/07/55/92/972075592.db2.gz KDSGOGKFYKZERU-GFCCVEGCSA-N 2 0 231.303 1.065 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc2[nH]cnc2c1F ZINC001170903222 972076103 /nfs/dbraw/zinc/07/61/03/972076103.db2.gz IBIPDPVZRPROSJ-SECBINFHSA-N 2 0 237.282 1.138 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ncc(Cl)cc1Cl ZINC001159780040 972108579 /nfs/dbraw/zinc/10/85/79/972108579.db2.gz OHOIKXBAOVOFCJ-QMMMGPOBSA-N 2 0 249.145 1.824 20 0 BDADRP Cn1ccc2c1cc[nH+]c2N[C@@H]([NH3+])CCC[NH3+] ZINC001159785633 972112560 /nfs/dbraw/zinc/11/25/60/972112560.db2.gz RGPWVHILWWIQOX-LLVKDONJSA-N 3 0 233.319 1.009 20 0 BDADRP C=Cc1ccc(N[C@H]([NH3+])CCC[NH3+])nc1 ZINC001159786614 972113753 /nfs/dbraw/zinc/11/37/53/972113753.db2.gz FQRBECIPOVSHOJ-JTQLQIEISA-N 2 0 206.293 1.160 20 0 BDADRP CC(C)c1ccnc(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001159786452 972113860 /nfs/dbraw/zinc/11/38/60/972113860.db2.gz ATEDETSOYIPOQL-JTQLQIEISA-N 2 0 223.324 1.036 20 0 BDADRP CCCC[C@@H](O)C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246016283 972115769 /nfs/dbraw/zinc/11/57/69/972115769.db2.gz KAZHHWHGPDLMOC-QJPTWQEYSA-N 2 0 214.353 1.064 20 0 BDADRP CSCC[C@H](C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246088970 972143285 /nfs/dbraw/zinc/14/32/85/972143285.db2.gz AEWPCHUJWXOBQP-QWRGUYRKSA-N 2 0 216.394 1.860 20 0 BDADRP C[NH2+]C1CCC([NH2+][C@@H]2CCCC[NH2+]C2)CC1 ZINC001246091883 972145176 /nfs/dbraw/zinc/14/51/76/972145176.db2.gz QWXUKRBGTFAGBA-WXRRBKDZSA-N 3 0 225.380 1.249 20 0 BDADRP C[C@@H]1CCC[C@H]([NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)C1 ZINC001246086009 972139299 /nfs/dbraw/zinc/13/92/99/972139299.db2.gz YSXJVMLXCDEMBV-MROQNXINSA-N 2 0 244.354 1.217 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C)NC2)CCO1 ZINC001246085234 972141386 /nfs/dbraw/zinc/14/13/86/972141386.db2.gz QCRWSHQDQCBANL-QNWHQSFQSA-N 2 0 226.364 1.674 20 0 BDADRP C[C@@H]1C[C@@H](n2c(C[NH3+])nc3ccccc32)CC[NH2+]1 ZINC001246099911 972157234 /nfs/dbraw/zinc/15/72/34/972157234.db2.gz ZBROMZMDWUNOPK-MNOVXSKESA-N 2 0 244.342 1.808 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](C[NH2+][C@H]2CCO[C@@H](C)C2)C1 ZINC001246104000 972163597 /nfs/dbraw/zinc/16/35/97/972163597.db2.gz UDTVGNUNEBDIGL-CYDGBPFRSA-N 2 0 226.364 1.389 20 0 BDADRP CC[N@@H+]1CC[C@H](NC[C@@H]2CC[C@@H](C)C[NH2+]2)C1 ZINC001246105157 972169703 /nfs/dbraw/zinc/16/97/03/972169703.db2.gz MLKNLNPQOWKMRU-AGIUHOORSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]Cc2cccn2C)CC[NH2+]1 ZINC001246107844 972171324 /nfs/dbraw/zinc/17/13/24/972171324.db2.gz AQQRXVDPAWUTJP-QWRGUYRKSA-N 2 0 207.321 1.255 20 0 BDADRP CCOCC[C@H](C)[NH2+]C[C@@H]1CCC[NH2+][C@H]1C ZINC001246108902 972174636 /nfs/dbraw/zinc/17/46/36/972174636.db2.gz IWLVFYLBHBOBBZ-AVGNSLFASA-N 2 0 228.380 1.779 20 0 BDADRP CCCC[C@@H](CCC)[NH2+][C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001246136760 972192124 /nfs/dbraw/zinc/19/21/24/972192124.db2.gz GHWJTYFSZIJNKK-AAVRWANBSA-N 2 0 240.391 1.922 20 0 BDADRP C1CC12C[NH2+]C[C@H]2N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246132835 972190335 /nfs/dbraw/zinc/19/03/35/972190335.db2.gz MLXAVFPRPIFULZ-MROQNXINSA-N 2 0 235.375 1.001 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2CC[NH2+][C@H]2c2ccccc2)C[NH2+]1 ZINC001246141917 972191189 /nfs/dbraw/zinc/19/11/89/972191189.db2.gz LYEGABRSGWHOEJ-BEAPCOKYSA-N 2 0 245.370 1.430 20 0 BDADRP CC1(C)CCC[C@H]([NH2+][C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)C1 ZINC001246139745 972192935 /nfs/dbraw/zinc/19/29/35/972192935.db2.gz WIZCEZDRNYXRER-UMSGYPCISA-N 2 0 238.375 1.532 20 0 BDADRP COC(=O)C1(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)CCC1 ZINC001246179708 972207914 /nfs/dbraw/zinc/20/79/14/972207914.db2.gz FFXBZYCOBOTTSG-GHMZBOCLSA-N 2 0 240.347 1.060 20 0 BDADRP C[NH+](C)Cc1ccc(C[NH2+]C2CC[NH2+]CC2)cc1 ZINC001246180283 972208332 /nfs/dbraw/zinc/20/83/32/972208332.db2.gz UVIJSVLUNXOMJH-UHFFFAOYSA-N 3 0 247.386 1.590 20 0 BDADRP Cc1c[nH+]c(NC[C@H]2CCCC[NH2+]2)cc1N ZINC001160149903 972218939 /nfs/dbraw/zinc/21/89/39/972218939.db2.gz AGCZSNQHWNNMCO-SNVBAGLBSA-N 2 0 220.320 1.526 20 0 BDADRP C(C[C@@H]1CCC[NH2+]C1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246228071 972232371 /nfs/dbraw/zinc/23/23/71/972232371.db2.gz FJABJLGKGGSIEE-ICIURTGMSA-N 3 0 237.391 1.249 20 0 BDADRP CC/C=C/NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001220560344 972240009 /nfs/dbraw/zinc/24/00/09/972240009.db2.gz DKUBPZWYZHEFMA-LHXVZLOVSA-N 2 0 241.379 1.522 20 0 BDADRP CCOC(CC[NH2+][C@@H]1CC[NH2+][C@H](C)C1)OCC ZINC001246234898 972240442 /nfs/dbraw/zinc/24/04/42/972240442.db2.gz WKPVPCANQPUYTO-VXGBXAGGSA-N 2 0 244.379 1.506 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH+]2CC[C@]3(CCCO3)C2)C1 ZINC001208606134 957092994 /nfs/dbraw/zinc/09/29/94/957092994.db2.gz FHDNNRJBDIHTGE-UONOGXRCSA-N 2 0 238.375 1.583 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCCc2cccnc2)CC[NH2+]1 ZINC001246241606 972247935 /nfs/dbraw/zinc/24/79/35/972247935.db2.gz YPECKYMHGRHDCV-OCCSQVGLSA-N 2 0 233.359 1.744 20 0 BDADRP CC(C)C[C@@H](C)C[C@@H](C)[NH2+]CCN(C)CC[NH3+] ZINC001246284739 972256337 /nfs/dbraw/zinc/25/63/37/972256337.db2.gz OFNJKGBJSRXEIB-ZIAGYGMSSA-N 2 0 243.439 1.927 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H]2OC)C1 ZINC000692998897 957410072 /nfs/dbraw/zinc/41/00/72/957410072.db2.gz QCMFCTOMDORRBP-RDBSUJKOSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)(C)[C@H](C[NH3+])NC(=O)C[C@H]1CCCC[NH2+]1 ZINC001220859597 972267098 /nfs/dbraw/zinc/26/70/98/972267098.db2.gz GIMCLCOPGWMGHN-MNOVXSKESA-N 2 0 241.379 1.008 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CNc3ccccc3C2)CC[NH2+]1 ZINC001246306705 972267413 /nfs/dbraw/zinc/26/74/13/972267413.db2.gz XRWUOOZIBSGTBX-BNOWGMLFSA-N 2 0 245.370 1.753 20 0 BDADRP CC(C)(C)[C@H](C[NH3+])NC(=O)c1ccccc1C[NH3+] ZINC001220861773 972268272 /nfs/dbraw/zinc/26/82/72/972268272.db2.gz DIFVKKDKWGIIPP-LBPRGKRZSA-N 2 0 249.358 1.249 20 0 BDADRP COC(=O)[C@H]1CCC[C@H]([NH2+]CC[C@H](C)[NH3+])C1 ZINC001246307612 972271206 /nfs/dbraw/zinc/27/12/06/972271206.db2.gz ZJOFHXHOAPFIBB-DCAQKATOSA-N 2 0 228.336 1.045 20 0 BDADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2COCC2(C)C)C1 ZINC000693025895 957514172 /nfs/dbraw/zinc/51/41/72/957514172.db2.gz GEOMFLJSCXFHQK-STQMWFEESA-N 2 0 240.391 1.733 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2COCC2(C)C)C1 ZINC000693025892 957514220 /nfs/dbraw/zinc/51/42/20/957514220.db2.gz GEOMFLJSCXFHQK-CHWSQXEVSA-N 2 0 240.391 1.733 20 0 BDADRP [NH3+]CCN1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000705891077 957535042 /nfs/dbraw/zinc/53/50/42/957535042.db2.gz VMRVQQPSJJKLDF-GJZGRUSLSA-N 2 0 245.370 1.009 20 0 BDADRP CC[N@H+](CCC[NH+](C)C)[C@H](C)COC ZINC000706065860 957625140 /nfs/dbraw/zinc/62/51/40/957625140.db2.gz JTZLBDNBCCNDMC-LLVKDONJSA-N 2 0 202.342 1.295 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C2CCC(CC[NH3+])CC2)CN1 ZINC001246332162 972295263 /nfs/dbraw/zinc/29/52/63/972295263.db2.gz DZRVUPKGFJMNHB-RYSNWHEDSA-N 2 0 239.407 1.624 20 0 BDADRP CC(=O)NCCCCC[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC001246335837 972297128 /nfs/dbraw/zinc/29/71/28/972297128.db2.gz MNDPDRYFLUHCCB-YPMHNXCESA-N 2 0 241.379 1.023 20 0 BDADRP CCC1(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)CC[NH2+]CC1 ZINC001246420164 972313752 /nfs/dbraw/zinc/31/37/52/972313752.db2.gz FQMRAZIGXGRGEM-STQMWFEESA-N 3 0 239.407 1.496 20 0 BDADRP CC(C)COCCC[NH2+]CC1CC[NH+](C)CC1 ZINC000054240328 958037254 /nfs/dbraw/zinc/03/72/54/958037254.db2.gz ADKYZPROZMBUBD-UHFFFAOYSA-N 2 0 242.407 1.981 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CCCNCCC[NH3+])C[C@H]1C ZINC001246455073 972323611 /nfs/dbraw/zinc/32/36/11/972323611.db2.gz WREYYBAKFBUKSE-MGPQQGTHSA-N 2 0 241.423 1.729 20 0 BDADRP C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H]([NH+](C)C)CC2)CN1 ZINC001246461474 972336811 /nfs/dbraw/zinc/33/68/11/972336811.db2.gz JMBXTSXPNYXUMW-XDQVBPFNSA-N 2 0 239.407 1.589 20 0 BDADRP C[C@@H]1CC[C@H](N[C@@]2(C)CCC[N@H+](C)C2)C[NH2+]1 ZINC001246464687 972339927 /nfs/dbraw/zinc/33/99/27/972339927.db2.gz SNIAJACDFCIFSS-AGIUHOORSA-N 2 0 225.380 1.201 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000693398955 958363120 /nfs/dbraw/zinc/36/31/20/958363120.db2.gz QXDMHZUSDLMQCO-YFKTTZPYSA-N 2 0 244.329 1.819 20 0 BDADRP CCSC[C@@H](C)[NH2+]C[C@@H]1CC[NH2+]C[C@@H]1F ZINC001246477279 972347147 /nfs/dbraw/zinc/34/71/47/972347147.db2.gz NJQAKUITLFOKAO-VWYCJHECSA-N 2 0 234.384 1.665 20 0 BDADRP C[C@@H]1CC[C@H](N2CC[NH+](C3CCC3)CC2)C[NH2+]1 ZINC000398973269 958468596 /nfs/dbraw/zinc/46/85/96/958468596.db2.gz AJCPPELWCKONNM-OCCSQVGLSA-N 2 0 237.391 1.297 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C2CC3(C2)CCC[NH2+]C3)CC[NH2+]1 ZINC001246494099 972351436 /nfs/dbraw/zinc/35/14/36/972351436.db2.gz HJNSJLOKCBAMGR-KBHBFKLGSA-N 3 0 237.391 1.249 20 0 BDADRP C[C@@H]1C[C@H]([N@H+](C)CCC[NH+]2CCCC2)CCO1 ZINC000420959156 972355405 /nfs/dbraw/zinc/35/54/05/972355405.db2.gz FWBSCAWGECHEJH-ZIAGYGMSSA-N 2 0 240.391 1.972 20 0 BDADRP C1=CC[C@H](C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)CC1 ZINC001222080906 972359470 /nfs/dbraw/zinc/35/94/70/972359470.db2.gz QCLSGDWGMWCPLY-AWEZNQCLSA-N 2 0 249.402 1.370 20 0 BDADRP CC(C)CCC[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222085518 972363546 /nfs/dbraw/zinc/36/35/46/972363546.db2.gz AYKCOBNEULOJOB-UHFFFAOYSA-N 2 0 239.407 1.450 20 0 BDADRP Cc1nn(C)cc1C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001204582932 958828630 /nfs/dbraw/zinc/82/86/30/958828630.db2.gz QKWFSJGYZBDTCR-UHFFFAOYSA-N 2 0 248.374 1.256 20 0 BDADRP C[C@@H]1C[N@H+](CC(C)(C)C[NH+](C)C)CC[C@]1(C)O ZINC001207276453 958848716 /nfs/dbraw/zinc/84/87/16/958848716.db2.gz WWSPKQUPOVIIOX-OCCSQVGLSA-N 2 0 242.407 1.667 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)C1 ZINC000693567779 958860482 /nfs/dbraw/zinc/86/04/82/958860482.db2.gz LOPLLQHHUYTBQV-KVVVAFMNSA-N 2 0 208.349 1.846 20 0 BDADRP CS[C@H](C)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000382272056 958870448 /nfs/dbraw/zinc/87/04/48/958870448.db2.gz ZIXWCYVFXFBSRR-ZNSALQAWSA-N 2 0 226.389 1.324 20 0 BDADRP C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C[C@H]1CCCCO1 ZINC000693580035 958870543 /nfs/dbraw/zinc/87/05/43/958870543.db2.gz SFSZPOGMWHFSEB-GRYCIOLGSA-N 2 0 212.337 1.225 20 0 BDADRP CS[C@H](C)C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000382272055 958870802 /nfs/dbraw/zinc/87/08/02/958870802.db2.gz ZIXWCYVFXFBSRR-QAWJZHMJSA-N 2 0 226.389 1.324 20 0 BDADRP O[C@H](C[NH2+]C[C@]12C[C@H]1CCC2)C[NH+]1CCCC1 ZINC000693617595 959008054 /nfs/dbraw/zinc/00/80/54/959008054.db2.gz DBRQSIHUFOAEMD-MCIONIFRSA-N 2 0 238.375 1.223 20 0 BDADRP C(CN1CC[C@]12CCC[NH2+]C2)[C@@H]1CCC[NH2+]C1 ZINC001222192795 972401164 /nfs/dbraw/zinc/40/11/64/972401164.db2.gz YXRKHORIAPDVSY-KBPBESRZSA-N 2 0 237.391 1.204 20 0 BDADRP [NH3+]C12CC(C[N@@H+]3CCC[C@]34CCC[NH2+]C4)(C1)C2 ZINC001222231135 972415968 /nfs/dbraw/zinc/41/59/68/972415968.db2.gz JPVHNDUHMKXIKO-RUXDESIVSA-N 3 0 235.375 1.086 20 0 BDADRP [NH3+][C@H](CN1CC2(C1)CCC[NH2+]C2)c1ccccc1 ZINC001222335486 972438819 /nfs/dbraw/zinc/43/88/19/972438819.db2.gz QJJDWJNWARSSGF-CQSZACIVSA-N 2 0 245.370 1.372 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001246531419 972441203 /nfs/dbraw/zinc/44/12/03/972441203.db2.gz QTXKAOSPFHXHBY-KGLIPLIRSA-N 3 0 241.423 1.920 20 0 BDADRP C(CCC1CC[NH2+]CC1)CO[C@H]1CCC[NH2+]C1 ZINC001217860841 959677190 /nfs/dbraw/zinc/67/71/90/959677190.db2.gz PNRUWFMIEMWNHS-AWEZNQCLSA-N 2 0 240.391 1.925 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]CC2([NH3+])CC2)C1(C)C ZINC000300383832 959801920 /nfs/dbraw/zinc/80/19/20/959801920.db2.gz IIASQRCDESJCGX-VHSXEESVSA-N 2 0 212.337 1.271 20 0 BDADRP F[C@@H]1C[NH2+]CC[C@@H]1Oc1ccc2c(c1)C[NH2+]C2 ZINC001218065062 959852065 /nfs/dbraw/zinc/85/20/65/959852065.db2.gz CRBQLRIFIIFZMR-OLZOCXBDSA-N 2 0 236.290 1.369 20 0 BDADRP [NH3+]C[C@H]1CCCC[N@H+](Cc2ccncc2)C1 ZINC000309439366 959979400 /nfs/dbraw/zinc/97/94/00/959979400.db2.gz ZEJBHVYWQXZSLQ-CYBMUJFWSA-N 2 0 219.332 1.642 20 0 BDADRP OC[C@]1(F)CCC[N@H+](CC2CC[NH2+]CC2)CC1 ZINC001207436825 960089264 /nfs/dbraw/zinc/08/92/64/960089264.db2.gz RGAPVPFXUBXIGA-ZDUSSCGKSA-N 2 0 244.354 1.173 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001207436830 960090937 /nfs/dbraw/zinc/09/09/37/960090937.db2.gz RRJMSXAQPGNZFT-UONOGXRCSA-N 2 0 238.375 1.487 20 0 BDADRP C[NH2+]CCC[NH+]1CCC2(CCC[NH2+]C2)CC1 ZINC001222452676 972492983 /nfs/dbraw/zinc/49/29/83/972492983.db2.gz JMJYWENMLOPDEP-UHFFFAOYSA-N 3 0 225.380 1.062 20 0 BDADRP C[C@@H](C[NH+]1CCCC1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709490946 960621698 /nfs/dbraw/zinc/62/16/98/960621698.db2.gz KFYMYLGQAYOUPQ-ICIURTGMSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709487803 960622179 /nfs/dbraw/zinc/62/21/79/960622179.db2.gz CNGKADBKLQUOKH-BEUHCMRWSA-N 2 0 237.391 1.199 20 0 BDADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925702542 960698128 /nfs/dbraw/zinc/69/81/28/960698128.db2.gz BMILKVYGDCSEKW-FRRDWIJNSA-N 3 0 237.391 1.378 20 0 BDADRP [NH3+]CCC[C@@H]([NH2+]C[C@H]1C[C@H](O)C1)c1ccccc1 ZINC000925729731 960847196 /nfs/dbraw/zinc/84/71/96/960847196.db2.gz LKIYEHOXMAGUSW-BPLDGKMQSA-N 2 0 248.370 1.827 20 0 BDADRP CC[NH+](CC)CCCN[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000399017242 961059010 /nfs/dbraw/zinc/05/90/10/961059010.db2.gz CTNAOCYZBVYJIN-QWHCGFSZSA-N 2 0 227.396 1.448 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC12COC2 ZINC001167826073 961160185 /nfs/dbraw/zinc/16/01/85/961160185.db2.gz MFZOQQCRFCEDCT-CYBMUJFWSA-N 2 0 240.391 1.972 20 0 BDADRP CC[NH2+]C[C@@H](CC(C)C)NC(=O)CC[NH+](C)C ZINC001268111194 961235826 /nfs/dbraw/zinc/23/58/26/961235826.db2.gz NMKDEPQXWMJCHV-GFCCVEGCSA-N 2 0 243.395 1.079 20 0 BDADRP [NH2+]=C(NCCCC[NH3+])Nc1ccc2c(c1)CCC2 ZINC001167879670 961458945 /nfs/dbraw/zinc/45/89/45/961458945.db2.gz YJSWLCGRBVZRAZ-UHFFFAOYSA-N 2 0 246.358 1.850 20 0 BDADRP [NH2+]=C(NCCCC[NH3+])Nc1ccc(O)cc1 ZINC001167881904 961464326 /nfs/dbraw/zinc/46/43/26/961464326.db2.gz LLPQOYLGBVAXNR-UHFFFAOYSA-N 2 0 222.292 1.067 20 0 BDADRP [NH2+]=C(Nc1ccc(=S)[nH]c1)SCC[NH3+] ZINC001167915172 961837624 /nfs/dbraw/zinc/83/76/24/961837624.db2.gz RPOWWPWGXWYXDU-UHFFFAOYSA-N 2 0 228.346 1.409 20 0 BDADRP CN1CCC([N@H+](C)[C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167923740 961992416 /nfs/dbraw/zinc/99/24/16/961992416.db2.gz IOGAZRZTUHSMFX-PJXYFTJBSA-N 2 0 208.349 1.811 20 0 BDADRP Cc1nc(N)ccc1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206632181 962124979 /nfs/dbraw/zinc/12/49/79/962124979.db2.gz GVKATBJWARVRKX-LBPRGKRZSA-N 2 0 248.374 1.533 20 0 BDADRP CC(C)[NH2+]C[C@H](C)NC(=O)CCCC[NH+](C)C ZINC001268712440 962308673 /nfs/dbraw/zinc/30/86/73/962308673.db2.gz WJEXZGDRSMDSAG-LBPRGKRZSA-N 2 0 243.395 1.221 20 0 BDADRP CCC[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)C(C)C ZINC001268760634 962336586 /nfs/dbraw/zinc/33/65/86/962336586.db2.gz WOVBUVBDSZPYDN-LBPRGKRZSA-N 2 0 243.395 1.173 20 0 BDADRP C[C@@H]1C[C@H](NCC[C@@H]2CCC[N@@H+]2C)CC[NH2+]1 ZINC000710408533 962379497 /nfs/dbraw/zinc/37/94/97/962379497.db2.gz FEKHPZJSEBVIAY-UPJWGTAASA-N 2 0 225.380 1.201 20 0 BDADRP N[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CCC1(F)F ZINC001206648148 962599049 /nfs/dbraw/zinc/59/90/49/962599049.db2.gz MGHNZKOQMHTRAL-GHMZBOCLSA-N 2 0 247.333 1.044 20 0 BDADRP N[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCC1(F)F ZINC001206648167 962599370 /nfs/dbraw/zinc/59/93/70/962599370.db2.gz MGHNZKOQMHTRAL-WDEREUQCSA-N 2 0 247.333 1.044 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](C)[C@H]2CO)CC[NH2+]1 ZINC000711575866 962729242 /nfs/dbraw/zinc/72/92/42/962729242.db2.gz FJXAYSQSEOTVQM-FVCCEPFGSA-N 2 0 226.364 1.220 20 0 BDADRP COCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167958648 962826607 /nfs/dbraw/zinc/82/66/07/962826607.db2.gz HGHKOGMWVQBDJC-AGUYFDCRSA-N 2 0 238.375 1.628 20 0 BDADRP C[NH+](C)Cc1ccnc(N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC001154990940 962932980 /nfs/dbraw/zinc/93/29/80/962932980.db2.gz ZEYQMWSEGNYUGM-CHWSQXEVSA-N 2 0 248.374 1.825 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2cnsc2)CC1 ZINC000712899607 963002393 /nfs/dbraw/zinc/00/23/93/963002393.db2.gz GDZYJEMISHCVDW-UHFFFAOYSA-N 2 0 211.334 1.314 20 0 BDADRP Cc1nc2c(c(N[C@@H]3CC[NH2+][C@@H]3C)n1)CCC2 ZINC001155187810 963012381 /nfs/dbraw/zinc/01/23/81/963012381.db2.gz HVYGTWDWJDZVQI-LDYMZIIASA-N 2 0 232.331 1.436 20 0 BDADRP C[C@H]1[NH2+]CC[C@H]1Nc1cc(N2CCCC2)cc[nH+]1 ZINC001155188067 963017219 /nfs/dbraw/zinc/01/72/19/963017219.db2.gz OIBJQCIGWQPTNV-DGCLKSJQSA-N 2 0 246.358 1.844 20 0 BDADRP [NH3+]C1CC(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167969484 963041229 /nfs/dbraw/zinc/04/12/29/963041229.db2.gz CUNCOSMRYXZTSK-NIRLBGDNSA-N 2 0 249.402 1.471 20 0 BDADRP Cc1c[nH+]c(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)c(C)c1 ZINC001155483331 963082280 /nfs/dbraw/zinc/08/22/80/963082280.db2.gz UFLQNHRKCYEKOL-JHJVBQTASA-N 2 0 247.342 1.345 20 0 BDADRP c1cc2c(cc[nH+]c2N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)[nH]1 ZINC001155636610 963127136 /nfs/dbraw/zinc/12/71/36/963127136.db2.gz PGZDYHJCLFBYEV-WOPDTQHZSA-N 2 0 244.298 1.104 20 0 BDADRP Cc1c[nH+]c(N[C@H]2C[NH2+]CC[C@H]2F)cc1N ZINC001157450048 963609328 /nfs/dbraw/zinc/60/93/28/963609328.db2.gz FYEXCOSZENPBBC-SCZZXKLOSA-N 2 0 224.283 1.084 20 0 BDADRP Nc1cc[nH+]c(N2CCCC[C@]23CCC[NH2+]C3)c1 ZINC001157467112 963622899 /nfs/dbraw/zinc/62/28/99/963622899.db2.gz DAQBIWMCJVXEEI-CQSZACIVSA-N 2 0 246.358 1.776 20 0 BDADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N(C)C(C)C ZINC001157484400 963630373 /nfs/dbraw/zinc/63/03/73/963630373.db2.gz CEGMUIIHWIVTMP-LBPRGKRZSA-N 2 0 243.395 1.349 20 0 BDADRP CC[C@@H]([NH3+])CNC(=O)[C@H]([NH3+])C1CCCCCC1 ZINC001357473948 963671286 /nfs/dbraw/zinc/67/12/86/963671286.db2.gz JNWJOZQUQGEOTL-VXGBXAGGSA-N 2 0 241.379 1.138 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)CCO1 ZINC001168090301 963680279 /nfs/dbraw/zinc/68/02/79/963680279.db2.gz CCKIGEUUJNGVEG-RHYQMDGZSA-N 2 0 212.337 1.413 20 0 BDADRP C[C@H]1C[C@H]([NH2+][C@H]2CCN(CC3CC3)C2)CCO1 ZINC001168093741 963697422 /nfs/dbraw/zinc/69/74/22/963697422.db2.gz OGHJCTAGRFATEM-YUTCNCBUSA-N 2 0 238.375 1.628 20 0 BDADRP Cc1cc2[nH]ccc2c(N2CC[C@@](F)(C[NH3+])C2)[nH+]1 ZINC001157816623 963735562 /nfs/dbraw/zinc/73/55/62/963735562.db2.gz FBXUOEUPWUPGFX-CYBMUJFWSA-N 2 0 248.305 1.748 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)CCO1 ZINC001168111321 963749426 /nfs/dbraw/zinc/74/94/26/963749426.db2.gz APHGLGONNHDNIP-YIYPIFLZSA-N 2 0 238.375 1.437 20 0 BDADRP Cc1nc(-n2ccc(C[NH3+])c2)cc(N(C)C)[nH+]1 ZINC001158764860 963918726 /nfs/dbraw/zinc/91/87/26/963918726.db2.gz WHXDOKDDNSNTEL-UHFFFAOYSA-N 2 0 231.303 1.100 20 0 BDADRP c1cc2c(cc[nH+]c2N2CC[NH2+]C3(CC3)C2)[nH]1 ZINC001158933016 963959314 /nfs/dbraw/zinc/95/93/14/963959314.db2.gz IERNMCAPPVEUIO-UHFFFAOYSA-N 2 0 228.299 1.505 20 0 BDADRP Cc1cnc(N2CC3(C2)CCC[NH2+]C3)c(C[NH3+])c1 ZINC001159025314 963977194 /nfs/dbraw/zinc/97/71/94/963977194.db2.gz MMFPWEAIHMQJRD-UHFFFAOYSA-N 2 0 246.358 1.039 20 0 BDADRP c1c(N=C2CCC[NH2+]C2)onc1[C@@H]1CCC[NH2+]1 ZINC001159304795 964058911 /nfs/dbraw/zinc/05/89/11/964058911.db2.gz CPRLLAHPPBMLSO-JTQLQIEISA-N 2 0 234.303 1.388 20 0 BDADRP CCCCc1cc(N[C@H]([NH3+])CCC[NH3+])ncn1 ZINC001159788112 964202720 /nfs/dbraw/zinc/20/27/20/964202720.db2.gz HHPGIQVXEOCDNF-NSHDSACASA-N 2 0 237.351 1.255 20 0 BDADRP [NH3+]CCc1ccccc1NC=C1CC[NH2+]CC1 ZINC001159996177 964235380 /nfs/dbraw/zinc/23/53/80/964235380.db2.gz PKAUFGWSXBLJDF-UHFFFAOYSA-N 2 0 231.343 1.867 20 0 BDADRP C[NH+](C)C1CCC(n2cccc2C[NH3+])CC1 ZINC001168297742 964391117 /nfs/dbraw/zinc/39/11/17/964391117.db2.gz IHBQEWZBNMJBTJ-UHFFFAOYSA-N 2 0 221.348 1.992 20 0 BDADRP C[NH+](C)C1CCC([N@H+](C)C(C)(C)CN)CC1 ZINC001168300531 964397696 /nfs/dbraw/zinc/39/76/96/964397696.db2.gz ZMGBGHNEVKOUKA-UHFFFAOYSA-N 2 0 227.396 1.528 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@H]2COC[C@@H]2F)CC1 ZINC001168311865 964411136 /nfs/dbraw/zinc/41/11/36/964411136.db2.gz CSAPSODWHMFMEB-QQFIATSDSA-N 2 0 230.327 1.186 20 0 BDADRP Cc1ccc(NC2C[NH+](C(C)C)C2)[nH+]c1N ZINC001168313251 964415777 /nfs/dbraw/zinc/41/57/77/964415777.db2.gz PFXVWYUHHGWXRN-UHFFFAOYSA-N 2 0 220.320 1.477 20 0 BDADRP [NH3+]Cc1cc(NCc2ccccc2C[NH3+])ncn1 ZINC001160906353 964441657 /nfs/dbraw/zinc/44/16/57/964441657.db2.gz UULROACBWDXYJR-UHFFFAOYSA-N 2 0 243.314 1.006 20 0 BDADRP Cn1ncc2c1C[N@@H+](C1CCC([NH+](C)C)CC1)C2 ZINC001168323760 964451640 /nfs/dbraw/zinc/45/16/40/964451640.db2.gz CEDJQVGPMQTVKB-UHFFFAOYSA-N 2 0 248.374 1.609 20 0 BDADRP C[NH+](C)C1CCC([N@H+](C)[C@@H]2CCOC2)CC1 ZINC001168324033 964451817 /nfs/dbraw/zinc/45/18/17/964451817.db2.gz HCXXONZRYOFDAL-WXRRBKDZSA-N 2 0 226.364 1.580 20 0 BDADRP [NH3+]CCc1cn(-c2cnccn2)c2cc[nH+]cc12 ZINC001160944472 964457802 /nfs/dbraw/zinc/45/78/02/964457802.db2.gz MJLRYIIRBZVNKY-UHFFFAOYSA-N 2 0 239.282 1.317 20 0 BDADRP C[C@H]1C[C@@H](O)CC[N@@H+]1C1CCC([NH+](C)C)CC1 ZINC001168327882 964458647 /nfs/dbraw/zinc/45/86/47/964458647.db2.gz RULUJDMJRRJSKO-ABXWRUBCSA-N 2 0 240.391 1.704 20 0 BDADRP Cc1cc(C[NH3+])nn1C1CC[NH+](CC2CC2)CC1 ZINC001168352733 964493715 /nfs/dbraw/zinc/49/37/15/964493715.db2.gz BMBAZKRILICWRA-UHFFFAOYSA-N 2 0 248.374 1.697 20 0 BDADRP [NH3+][C@@H]1CCCN(C2CC[NH+](CC3CC3)CC2)C1 ZINC001168356001 964513603 /nfs/dbraw/zinc/51/36/03/964513603.db2.gz IMBGPSMIFZLCAT-CYBMUJFWSA-N 2 0 237.391 1.284 20 0 BDADRP COCC(C)(C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168356091 964513962 /nfs/dbraw/zinc/51/39/62/964513962.db2.gz KOKCUGURPBBVMQ-UHFFFAOYSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H](CC[NH2+][C@@H]1CCCOC1)[NH+](C)C ZINC000697868668 964594544 /nfs/dbraw/zinc/59/45/44/964594544.db2.gz CKBDQJSXAUQJJZ-WDEREUQCSA-N 2 0 200.326 1.095 20 0 BDADRP C[NH+](C)CCNc1cccc2c1CC[C@@H]2[NH3+] ZINC001161671065 964676679 /nfs/dbraw/zinc/67/66/79/964676679.db2.gz HWUDBRMOWKVZEV-LBPRGKRZSA-N 2 0 219.332 1.606 20 0 BDADRP Cc1c[nH+]c(NC[C@H]2C[NH2+]CC(C)(C)O2)c(C)c1 ZINC001161954036 964836548 /nfs/dbraw/zinc/83/65/48/964836548.db2.gz JTSOQWGYEFOFIJ-GFCCVEGCSA-N 2 0 249.358 1.877 20 0 BDADRP [NH3+]Cc1cn(-c2cc[nH+]c(C3CC3)c2)cn1 ZINC001162304704 964919263 /nfs/dbraw/zinc/91/92/63/964919263.db2.gz QRZNPISCYUNPEJ-UHFFFAOYSA-N 2 0 214.272 1.603 20 0 BDADRP C[C@H]([NH3+])c1ccc(-n2cnc(C[NH3+])c2)cc1 ZINC001162304638 964919896 /nfs/dbraw/zinc/91/98/96/964919896.db2.gz VYBKBHFBTGRQBV-VIFPVBQESA-N 2 0 216.288 1.351 20 0 BDADRP Cn1ccc2c1cc[nH+]c2N[C@H]1C[C@@](C)([NH3+])C1 ZINC001162328725 964933675 /nfs/dbraw/zinc/93/36/75/964933675.db2.gz YGAGGFISBRDTLG-SWZMTVOYSA-N 2 0 230.315 1.865 20 0 BDADRP [NH3+][C@H]1CCC[C@H](Nc2[nH+]ccc3c2CCN3)C1 ZINC001162392053 964951738 /nfs/dbraw/zinc/95/17/38/964951738.db2.gz PGVXLIILRIXTEJ-UWVGGRQHSA-N 2 0 232.331 1.731 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H](Nc2ccc3c([nH+]2)NCCO3)C1 ZINC001162404531 964963642 /nfs/dbraw/zinc/96/36/42/964963642.db2.gz NZFDAHVNQPMNOM-NXEZZACHSA-N 2 0 248.330 1.568 20 0 BDADRP C[C@@H]1C[NH2+]CCC[C@H]1CNc1ccc[n+](C)c1 ZINC001162469469 964986935 /nfs/dbraw/zinc/98/69/35/964986935.db2.gz BVXHLAUKJDLTML-OLZOCXBDSA-N 2 0 234.367 1.559 20 0 BDADRP Cc1c2[nH+]c[nH]c2ccc1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001162478291 964990268 /nfs/dbraw/zinc/99/02/68/964990268.db2.gz WZHLMSWMWRRPKQ-UWVGGRQHSA-N 2 0 248.305 1.983 20 0 BDADRP C[C@@H]1C[C@H](O)C[N@@H+]1C1CC[NH+](CC2CC2)CC1 ZINC001168374231 964993741 /nfs/dbraw/zinc/99/37/41/964993741.db2.gz XWBXYWBRGUATOG-RISCZKNCSA-N 2 0 238.375 1.316 20 0 BDADRP CC(C)OCCC[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000690424455 965036439 /nfs/dbraw/zinc/03/64/39/965036439.db2.gz ZYIRUDOHTXWMHM-GFCCVEGCSA-N 2 0 214.353 1.472 20 0 BDADRP Fc1cnccc1NC[C@]1(F)CCCC[NH2+]C1 ZINC001162579701 965050548 /nfs/dbraw/zinc/05/05/48/965050548.db2.gz HMJKYPACWSEVMM-LBPRGKRZSA-N 2 0 241.285 1.536 20 0 BDADRP CC[NH+](CC)CCO[C@H]1CCC[N@H+](C)CC1 ZINC001224926851 965103709 /nfs/dbraw/zinc/10/37/09/965103709.db2.gz BFWBTDURLXJITJ-ZDUSSCGKSA-N 2 0 228.380 1.829 20 0 BDADRP C[C@H]1[NH2+]CC[C@H]1Nc1cccc2c1CC[C@@H]2[NH3+] ZINC001162675773 965109738 /nfs/dbraw/zinc/10/97/38/965109738.db2.gz FNXITBSVBCLIMO-JIMOISOXSA-N 2 0 231.343 1.795 20 0 BDADRP c1cc2c(cc[nH+]c2N[C@H]2C=C[C@H]3C[NH2+]C[C@@H]32)[nH]1 ZINC001162790635 965175520 /nfs/dbraw/zinc/17/55/20/965175520.db2.gz VBNDPFNZVYSGIW-GAFUQQFSSA-N 2 0 240.310 1.749 20 0 BDADRP Cc1ccc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)[nH+]c1C ZINC001162792931 965183582 /nfs/dbraw/zinc/18/35/82/965183582.db2.gz JGUOMYPZJDMGQV-FRRDWIJNSA-N 2 0 229.327 1.884 20 0 BDADRP CN(C)c1cc[nH+]c(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)c1 ZINC001162791553 965184027 /nfs/dbraw/zinc/18/40/27/965184027.db2.gz CMPIVMKRQMZPLP-CYZMBNFOSA-N 2 0 244.342 1.334 20 0 BDADRP Cc1c[nH+]c(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)c(N)c1 ZINC001162797893 965188130 /nfs/dbraw/zinc/18/81/30/965188130.db2.gz PRIVPHBUJBBTFF-HOSYDEDBSA-N 2 0 230.315 1.158 20 0 BDADRP Cc1cc[nH+]c(N[C@@H]2COCCC23C[NH2+]C3)c1C ZINC001163068185 965250165 /nfs/dbraw/zinc/25/01/65/965250165.db2.gz FXBTZXFNYOLKNN-GFCCVEGCSA-N 2 0 247.342 1.489 20 0 BDADRP Cc1cc[nH+]c(NC[C@@]23C[NH2+][C@@H](CO2)C3)c1C ZINC001163193601 965295694 /nfs/dbraw/zinc/29/56/94/965295694.db2.gz XCXPEPNVSCYCIS-DGCLKSJQSA-N 2 0 233.315 1.241 20 0 BDADRP Cc1c(N)cc[nH+]c1N[C@H]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001163261140 965319789 /nfs/dbraw/zinc/31/97/89/965319789.db2.gz GYDXRFPTVAHMCZ-SCVCMEIPSA-N 2 0 232.331 1.382 20 0 BDADRP Cc1cccnc1N[C@@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163305475 965325393 /nfs/dbraw/zinc/32/53/93/965325393.db2.gz MSJURDZURFKSAS-OCCSQVGLSA-N 2 0 247.342 1.713 20 0 BDADRP c1cc(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)cc[nH+]1 ZINC001163268189 965326911 /nfs/dbraw/zinc/32/69/11/965326911.db2.gz CAQNAYAIRZJIIG-GXTWGEPZSA-N 2 0 247.342 1.074 20 0 BDADRP Cc1cnc(NCC2([NH3+])CCC2)c(C[NH3+])c1 ZINC001163326501 965334442 /nfs/dbraw/zinc/33/44/42/965334442.db2.gz DFAHWMYITSYOBW-UHFFFAOYSA-N 2 0 220.320 1.142 20 0 BDADRP c1cc2c(c(N[C@H]3C[NH+]4CCC3CC4)[nH+]1)CCN2 ZINC001163386191 965387244 /nfs/dbraw/zinc/38/72/44/965387244.db2.gz OLYUPJPMXSJZHX-ZDUSSCGKSA-N 2 0 244.342 1.556 20 0 BDADRP Cc1ccc(N[C@H](C)C[NH+](C)C)[nH+]c1N ZINC001163773085 965579311 /nfs/dbraw/zinc/57/93/11/965579311.db2.gz QUASNQSMCSVIIK-SECBINFHSA-N 2 0 208.309 1.334 20 0 BDADRP [NH3+][C@H]1CCC[N@H+](CCCn2cccn2)CC1 ZINC001205093667 965717761 /nfs/dbraw/zinc/71/77/61/965717761.db2.gz DMBDENDLCWLJFB-LBPRGKRZSA-N 2 0 222.336 1.086 20 0 BDADRP C[C@H](Cc1cccc(F)c1)[NH2+]C1CC([NH3+])C1 ZINC001168465568 965809828 /nfs/dbraw/zinc/80/98/28/965809828.db2.gz UATYQAYCRKMZRT-UHEGKEBESA-N 2 0 222.307 1.836 20 0 BDADRP Nc1cc(N2CC[C@H]([NH3+])C2)[nH+]cc1C(F)(F)F ZINC001164280045 965822910 /nfs/dbraw/zinc/82/29/10/965822910.db2.gz WZNMKVGCYZMHOF-LURJTMIESA-N 2 0 246.236 1.220 20 0 BDADRP [NH3+][C@H]1CCC[N@H+](Cc2cccc3[nH]cnc32)CC1 ZINC001205109746 965834601 /nfs/dbraw/zinc/83/46/01/965834601.db2.gz KYYVHRUZHPUGTB-LBPRGKRZSA-N 2 0 244.342 1.876 20 0 BDADRP COc1cc[nH+]c(N2C[C@@H](C[NH3+])CC[C@@H]2C)c1 ZINC001164455174 965888707 /nfs/dbraw/zinc/88/87/07/965888707.db2.gz BPCQRMQUWFWRGH-WDEREUQCSA-N 2 0 235.331 1.654 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH3+])CN1c1cccc(N)[nH+]1 ZINC001164460903 965893327 /nfs/dbraw/zinc/89/33/27/965893327.db2.gz FZVSWUDKRTYJHR-ZJUUUORDSA-N 2 0 220.320 1.227 20 0 BDADRP C[C@H]1C[N@H+](CC2(C)CCOCC2)C[C@H]1C[NH3+] ZINC001205131415 965937451 /nfs/dbraw/zinc/93/74/51/965937451.db2.gz YCTUAGBOIPYSSO-NWDGAFQWSA-N 2 0 226.364 1.330 20 0 BDADRP CC[C@@H]1COC[C@H]1[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000699542210 965952937 /nfs/dbraw/zinc/95/29/37/965952937.db2.gz KUTBNTSAZNBUOH-BFHYXJOUSA-N 2 0 240.391 1.733 20 0 BDADRP COc1cc[nH+]c(N2C[C@@H]3C[NH+](C)C[C@H]3C2)c1 ZINC001165145778 965973857 /nfs/dbraw/zinc/97/38/57/965973857.db2.gz WQCSBZAWTBICAR-QWRGUYRKSA-N 2 0 233.315 1.088 20 0 BDADRP [NH3+]Cc1cccc(CN2CCCCC23C[NH2+]C3)c1 ZINC001235103977 966004571 /nfs/dbraw/zinc/00/45/71/966004571.db2.gz IPIDNPPTCSECQZ-UHFFFAOYSA-N 2 0 245.370 1.473 20 0 BDADRP C/C=C(\NC=[NH2+])NCC[C@H]1CCC[N@H+](C)C1 ZINC001165263122 966013875 /nfs/dbraw/zinc/01/38/75/966013875.db2.gz ZSJIYPHZJDDNFH-KLTMTFHYSA-N 2 0 224.352 1.366 20 0 BDADRP Cc1c[nH+]c(N2CCC(F)(C[NH3+])CC2)c(N)c1 ZINC001165263370 966014184 /nfs/dbraw/zinc/01/41/84/966014184.db2.gz PRNZEIGJSVYWCQ-UHFFFAOYSA-N 2 0 238.310 1.239 20 0 BDADRP [NH3+]CCN(CC[NH3+])Cc1ccc2occc2c1 ZINC001235876739 966127365 /nfs/dbraw/zinc/12/73/65/966127365.db2.gz HZBXDPNKOVINPK-UHFFFAOYSA-N 2 0 233.315 1.152 20 0 BDADRP CCN(CCCCCC[NH3+])[C@@H]1CCC[NH2+]C1 ZINC001236004061 966225678 /nfs/dbraw/zinc/22/56/78/966225678.db2.gz CGKHFHUSQFNVBN-CYBMUJFWSA-N 2 0 227.396 1.579 20 0 BDADRP CS[C@@H](C)CC[NH+]1CC(C)(C[NH3+])C1 ZINC001206712142 966261153 /nfs/dbraw/zinc/26/11/53/966261153.db2.gz SRDJAGCIZIEHKP-VIFPVBQESA-N 2 0 202.367 1.409 20 0 BDADRP Oc1cccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236313992 966360680 /nfs/dbraw/zinc/36/06/80/966360680.db2.gz DKMNISYWERXPCW-OKILXGFUSA-N 2 0 246.354 1.824 20 0 BDADRP CSc1ccnc(N(C)C[C@@H]2CC[NH2+]C2)c1 ZINC001166957835 966474947 /nfs/dbraw/zinc/47/49/47/966474947.db2.gz KXTUZBJVRFPJNZ-SNVBAGLBSA-N 2 0 237.372 1.849 20 0 BDADRP CO[C@@H]1C[N@H+](C[C@@]2(C)CCC[NH2+]C2)CC[C@H]1C ZINC000300005157 966490738 /nfs/dbraw/zinc/49/07/38/966490738.db2.gz KZCFNPJKNPMZGZ-MCIONIFRSA-N 2 0 240.391 1.733 20 0 BDADRP Cn1cccc1C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001203267734 966591496 /nfs/dbraw/zinc/59/14/96/966591496.db2.gz YLQBFWGRLBGLKG-UHFFFAOYSA-N 2 0 233.359 1.553 20 0 BDADRP Cn1cccc1C[N@H+]1CCc2nccn2CC1 ZINC001203265591 966591873 /nfs/dbraw/zinc/59/18/73/966591873.db2.gz JUIFWFSYQRVHPZ-UHFFFAOYSA-N 2 0 230.315 1.280 20 0 BDADRP CC[C@H]([NH3+])CN(C)Cc1cccc(C[NH3+])c1 ZINC001236884825 966605028 /nfs/dbraw/zinc/60/50/28/966605028.db2.gz UPXSSKMEUOCRNM-ZDUSSCGKSA-N 2 0 221.348 1.314 20 0 BDADRP C[NH2+][C@@]12CC[C@@]([NH2+]C[C@@H]3CCCO3)(C1)CCC2 ZINC001276429317 966824899 /nfs/dbraw/zinc/82/48/99/966824899.db2.gz WZRHNTKXQGKVDO-MELADBBJSA-N 2 0 238.375 1.820 20 0 BDADRP CC/C=C\CCC[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205210904 966851130 /nfs/dbraw/zinc/85/11/30/966851130.db2.gz SSAMFPPMDZPCCM-NQHOJNORSA-N 2 0 240.391 1.909 20 0 BDADRP CC[NH+]1C[C@H]2CN(Cc3cccc(C)n3)C[C@@H]2C1 ZINC001204071079 966879112 /nfs/dbraw/zinc/87/91/12/966879112.db2.gz QWTCNOSXSOZUNN-KBPBESRZSA-N 2 0 245.370 1.774 20 0 BDADRP CC[NH+]1C[C@@H]2CN(Cc3cccc(C)n3)C[C@H]2C1 ZINC001204071081 966880664 /nfs/dbraw/zinc/88/06/64/966880664.db2.gz QWTCNOSXSOZUNN-ZIAGYGMSSA-N 2 0 245.370 1.774 20 0 BDADRP C[NH+](C)C1CCC(n2cnc3c2C[NH2+]CC3)CC1 ZINC000715495898 966920226 /nfs/dbraw/zinc/92/02/26/966920226.db2.gz RDQLNWWFZCZKMN-UHFFFAOYSA-N 2 0 248.374 1.574 20 0 BDADRP C[NH+](C)C1CCC(n2cnc(C[NH3+])c2)CC1 ZINC000715503388 966940441 /nfs/dbraw/zinc/94/04/41/966940441.db2.gz YBXMXIXMYGCQAJ-UHFFFAOYSA-N 2 0 222.336 1.387 20 0 BDADRP C[C@@]1([NH3+])CC[N@H+](C[C@H]2CCOC(C)(C)C2)C1 ZINC001204763457 967150465 /nfs/dbraw/zinc/15/04/65/967150465.db2.gz LDTYMRDUOLSFMW-WCQYABFASA-N 2 0 226.364 1.615 20 0 BDADRP C[NH+]1CCC(C)(CN2CC[C@@](C)([NH3+])C2)CC1 ZINC001204763931 967151918 /nfs/dbraw/zinc/15/19/18/967151918.db2.gz TZDPZFWYUHCMCF-CYBMUJFWSA-N 2 0 225.380 1.141 20 0 BDADRP C[C@]1([NH3+])CC[N@H+](CC2Cc3ccccc3C2)C1 ZINC001204762727 967152675 /nfs/dbraw/zinc/15/26/75/967152675.db2.gz BKEXZEBEMKBZHV-HNNXBMFYSA-N 2 0 230.355 1.825 20 0 BDADRP C[C@]1([NH3+])CC[N@H+](C[C@@H]2CCOC(C)(C)C2)C1 ZINC001204763458 967155250 /nfs/dbraw/zinc/15/52/50/967155250.db2.gz LDTYMRDUOLSFMW-YPMHNXCESA-N 2 0 226.364 1.615 20 0 BDADRP C[C@@]1([NH3+])CCN(C[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC001204763808 967155470 /nfs/dbraw/zinc/15/54/70/967155470.db2.gz QWYFCIFMCIGQEI-LSDHHAIUSA-N 2 0 245.370 1.124 20 0 BDADRP C[C@]1([NH3+])CC[N@H+](CC2CC3(C2)CC[NH2+]CC3)C1 ZINC001204763937 967155681 /nfs/dbraw/zinc/15/56/81/967155681.db2.gz TZSNILUGZIQIGP-ZDUSSCGKSA-N 3 0 237.391 1.189 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2CC[C@H](CO)C2)CC1 ZINC000715541806 967155961 /nfs/dbraw/zinc/15/59/61/967155961.db2.gz IQJXTPQPIJCCDY-HIFPTAJRSA-N 2 0 226.364 1.173 20 0 BDADRP C[C@H]1CC[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)CN1 ZINC000715557519 967159684 /nfs/dbraw/zinc/15/96/84/967159684.db2.gz JMBXTSXPNYXUMW-RJZJGCCBSA-N 2 0 239.407 1.589 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000715562827 967180984 /nfs/dbraw/zinc/18/09/84/967180984.db2.gz RIJOGBPEROQLCX-YNEHKIRRSA-N 2 0 228.380 1.466 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715581371 967192783 /nfs/dbraw/zinc/19/27/83/967192783.db2.gz RQRJVFGABCAXHU-VOMCLLRMSA-N 3 0 213.369 1.044 20 0 BDADRP C[C@@]1([NH3+])CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC001204939834 967243910 /nfs/dbraw/zinc/24/39/10/967243910.db2.gz UTSONOVLJWRODB-CYBMUJFWSA-N 3 0 225.380 1.189 20 0 BDADRP CC1(CN2CCC[C@@](C)([NH3+])C2)CC[NH2+]CC1 ZINC001204940083 967244967 /nfs/dbraw/zinc/24/49/67/967244967.db2.gz VJTRKYORMRLSID-CYBMUJFWSA-N 2 0 225.380 1.189 20 0 BDADRP C[NH2+]C[C@@H]1CCCN(C[C@@H]([NH3+])c2ccccc2)C1 ZINC001205000744 967281240 /nfs/dbraw/zinc/28/12/40/967281240.db2.gz JKCKQKWRRWJCDQ-DZGCQCFKSA-N 2 0 247.386 1.618 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2cccc3ccnn32)CC1 ZINC001205033358 967296263 /nfs/dbraw/zinc/29/62/63/967296263.db2.gz CCJZNWSCUBIDIF-UHFFFAOYSA-N 2 0 244.342 1.505 20 0 BDADRP COc1cc(C)c(C[NH+]2CCC(C[NH3+])CC2)cn1 ZINC001205046724 967301662 /nfs/dbraw/zinc/30/16/62/967301662.db2.gz JYNQFAYMXATFOV-UHFFFAOYSA-N 2 0 249.358 1.569 20 0 BDADRP CCN1CC[NH+](CC2CC[NH+](CC)CC2)CC1 ZINC001205046791 967302272 /nfs/dbraw/zinc/30/22/72/967302272.db2.gz UPPDPOCMTQHMLK-UHFFFAOYSA-N 2 0 239.407 1.356 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2cc3cccnc3[nH]2)CC1 ZINC001205046343 967305187 /nfs/dbraw/zinc/30/51/87/967305187.db2.gz FIMYQCBLLICNNO-UHFFFAOYSA-N 2 0 244.342 1.734 20 0 BDADRP Cc1cc(F)ncc1C[NH+]1CCC(C[NH3+])CC1 ZINC001205047496 967309011 /nfs/dbraw/zinc/30/90/11/967309011.db2.gz WOPAVAJEWUGNCU-UHFFFAOYSA-N 2 0 237.322 1.700 20 0 BDADRP C[C@H]1CC[C@@H](C[NH3+])N1C[C@H]1CCC[N@H+](C)C1 ZINC001205058215 967315764 /nfs/dbraw/zinc/31/57/64/967315764.db2.gz GPGCOTCRSIAXIG-AVGNSLFASA-N 2 0 225.380 1.140 20 0 BDADRP C[NH+](C)CC(C)(C)CN1CCC[C@H]([NH3+])CC1 ZINC001205088769 967339306 /nfs/dbraw/zinc/33/93/06/967339306.db2.gz SMIYGNNVVDZALS-LBPRGKRZSA-N 3 0 227.396 1.387 20 0 BDADRP CC1(C[N@@H+]2CCC[C@@H]([NH3+])CC2)CC[NH2+]CC1 ZINC001205094944 967341108 /nfs/dbraw/zinc/34/11/08/967341108.db2.gz RLTVWTNEZXSGNM-GFCCVEGCSA-N 3 0 225.380 1.189 20 0 BDADRP CNc1ccccc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205146653 967388582 /nfs/dbraw/zinc/38/85/82/967388582.db2.gz ZYHZXTBBAHZADR-WCQYABFASA-N 2 0 233.359 1.755 20 0 BDADRP C[C@H]1CN(Cc2ccc(F)c(O)c2)C[C@H]1C[NH3+] ZINC001205150682 967394757 /nfs/dbraw/zinc/39/47/57/967394757.db2.gz HCORYPFFJGBCNF-GXSJLCMTSA-N 2 0 238.306 1.558 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCN1CC1(C[NH+](C)C)CCCC1 ZINC001205171081 967413506 /nfs/dbraw/zinc/41/35/06/967413506.db2.gz JWKJZDIIWMWJEL-CHWSQXEVSA-N 2 0 239.407 1.530 20 0 BDADRP CCC[C@H](C)C[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205209688 967429169 /nfs/dbraw/zinc/42/91/69/967429169.db2.gz JWPXLDALLGVCAU-QWHCGFSZSA-N 2 0 228.380 1.598 20 0 BDADRP Cc1cccc(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)n1 ZINC001205209431 967430581 /nfs/dbraw/zinc/43/05/81/967430581.db2.gz JITXGDPTLOAZAO-CQSZACIVSA-N 2 0 249.358 1.066 20 0 BDADRP C[C@@]1([NH3+])CCC[N@H+](Cc2ccccn2)CC1 ZINC001205265286 967457271 /nfs/dbraw/zinc/45/72/71/967457271.db2.gz PNAIZTNKCGXGIU-CYBMUJFWSA-N 2 0 219.332 1.785 20 0 BDADRP C[C@]1([NH3+])CCC[N@H+](Cc2cccc(N)n2)CC1 ZINC001205280950 967470090 /nfs/dbraw/zinc/47/00/90/967470090.db2.gz MVKSHNXDEPOEDO-ZDUSSCGKSA-N 2 0 234.347 1.367 20 0 BDADRP Cc1ccc(O)c(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)n1 ZINC001205280700 967471187 /nfs/dbraw/zinc/47/11/87/967471187.db2.gz GOYFUCLNYLEYOL-CQSZACIVSA-N 2 0 249.358 1.799 20 0 BDADRP Cc1ccc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c(N)n1 ZINC001205281160 967471922 /nfs/dbraw/zinc/47/19/22/967471922.db2.gz QNSBKAMAFJMXKX-AWEZNQCLSA-N 2 0 248.374 1.676 20 0 BDADRP CC[C@H]1CN(Cc2cnc(C)cn2)CC[C@@H]1[NH3+] ZINC000693822878 967509607 /nfs/dbraw/zinc/50/96/07/967509607.db2.gz RCOGDNAKMJLONQ-AAEUAGOBSA-N 2 0 234.347 1.344 20 0 BDADRP CCOc1ccc(C[NH+]2CCC(C[NH3+])CC2)cn1 ZINC001205047510 967630970 /nfs/dbraw/zinc/63/09/70/967630970.db2.gz XGZZSAXGKZGJFN-UHFFFAOYSA-N 2 0 249.358 1.651 20 0 BDADRP COC(=O)CC(C)(C)[NH2+]CC1CC[NH+](C)CC1 ZINC000694004725 967666338 /nfs/dbraw/zinc/66/63/38/967666338.db2.gz ONIBKLKAGQRMNJ-UHFFFAOYSA-N 2 0 242.363 1.260 20 0 BDADRP Cn1cncc1C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205545374 967687250 /nfs/dbraw/zinc/68/72/50/967687250.db2.gz FUVWIMORNXLVAS-LBPRGKRZSA-N 2 0 240.326 1.073 20 0 BDADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2ccnnc2)CC1 ZINC001205559261 967694720 /nfs/dbraw/zinc/69/47/20/967694720.db2.gz PPABTVTXKNYXCZ-GFCCVEGCSA-N 2 0 238.310 1.130 20 0 BDADRP c1[nH+]cn2cc(Nc3cc[nH+]cc3)ccc12 ZINC001250322679 967703539 /nfs/dbraw/zinc/70/35/39/967703539.db2.gz GSIWFCJIXVVXNO-UHFFFAOYSA-N 2 0 210.240 1.895 20 0 BDADRP Cc1ncc(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)[nH]1 ZINC001205579278 967705075 /nfs/dbraw/zinc/70/50/75/967705075.db2.gz LYUFEGFKNFVFTQ-GFCCVEGCSA-N 2 0 240.326 1.371 20 0 BDADRP COCCCC[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205603116 967719975 /nfs/dbraw/zinc/71/99/75/967719975.db2.gz NUCVDPIXFQWBHK-OLZOCXBDSA-N 2 0 228.380 1.720 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2ncccn2)CC[C@H]1C[NH3+] ZINC001205617830 967723918 /nfs/dbraw/zinc/72/39/18/967723918.db2.gz OJDFGVSJBCWYDC-NEPJUHHUSA-N 2 0 234.347 1.283 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2cncs2)CC[C@@H]1C[NH3+] ZINC001205617950 967726326 /nfs/dbraw/zinc/72/63/26/967726326.db2.gz PWGXISUHVBILCN-GHMZBOCLSA-N 2 0 239.388 1.950 20 0 BDADRP Cc1n[nH]cc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205615983 967728620 /nfs/dbraw/zinc/72/86/20/967728620.db2.gz BLQHGCJLLQTQIP-CMPLNLGQSA-N 2 0 236.363 1.525 20 0 BDADRP Cc1nc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c[nH]1 ZINC001205639301 967734250 /nfs/dbraw/zinc/73/42/50/967734250.db2.gz YRSNOBBXZMAMKR-JQWIXIFHSA-N 2 0 236.363 1.525 20 0 BDADRP C[C@H]1CC[N@H+](Cc2ccncc2N)CC[C@@H]1C[NH3+] ZINC001205626954 967737736 /nfs/dbraw/zinc/73/77/36/967737736.db2.gz KXSIZYGVGYLMHU-NWDGAFQWSA-N 2 0 248.374 1.471 20 0 BDADRP CS[C@H](C)CC[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205662432 967752220 /nfs/dbraw/zinc/75/22/20/967752220.db2.gz ASRIULAEYMWDTO-VXGBXAGGSA-N 2 0 246.420 1.304 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH3+])N(Cc2cccc(C[NH3+])c2)C1 ZINC001205842930 967852095 /nfs/dbraw/zinc/85/20/95/967852095.db2.gz PYDJZYVCCLWSPM-DOMZBBRYSA-N 2 0 247.386 1.705 20 0 BDADRP CCC1(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)COC1 ZINC001205981488 967923889 /nfs/dbraw/zinc/92/38/89/967923889.db2.gz DSMCPRSJNVYKEY-QWHCGFSZSA-N 2 0 240.391 1.720 20 0 BDADRP C[C@@H]1C[N@H+](CC23CC([NH3+])(C2)C3)CCC[C@@H]1C[NH3+] ZINC001205982194 967929101 /nfs/dbraw/zinc/92/91/01/967929101.db2.gz LKYJUXACRRVGQE-IWMBGFJWSA-N 3 0 237.391 1.175 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccncc2)CCC[C@H]1C[NH3+] ZINC001205996392 967947173 /nfs/dbraw/zinc/94/71/73/967947173.db2.gz WSWLFXZWXUGSEA-JSGCOSHPSA-N 2 0 233.359 1.888 20 0 BDADRP Cc1nccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC001205996722 967947744 /nfs/dbraw/zinc/94/77/44/967947744.db2.gz XYLQFVLXQNNQCZ-YPMHNXCESA-N 2 0 248.374 1.592 20 0 BDADRP C[C@H]1C[N@H+](Cc2cnccc2N)CCC[C@@H]1C[NH3+] ZINC001205996596 967952879 /nfs/dbraw/zinc/95/28/79/967952879.db2.gz XONNXTJFDITQNB-NWDGAFQWSA-N 2 0 248.374 1.301 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccc(N)nc2)CCC[C@H]1C[NH3+] ZINC001206011789 967964355 /nfs/dbraw/zinc/96/43/55/967964355.db2.gz GOSPAWZJXHSXMP-AAEUAGOBSA-N 2 0 248.374 1.471 20 0 BDADRP C[C@@H]1CCN(Cc2cccc(N)c2)C[C@H]1[NH3+] ZINC001206043473 968005554 /nfs/dbraw/zinc/00/55/54/968005554.db2.gz GLORGPCYOXIMCN-ZWNOBZJWSA-N 2 0 219.332 1.438 20 0 BDADRP C[C@H]1C[NH2+]CCN(C[C@H]([NH3+])Cc2ccccc2)C1 ZINC001206269367 968188029 /nfs/dbraw/zinc/18/80/29/968188029.db2.gz LBLOWVPRTRLLFQ-DZGCQCFKSA-N 2 0 247.386 1.098 20 0 BDADRP C[C@@]1(C[NH3+])CCCN(C[C@H]2CCC[NH2+]2)CC1 ZINC001206295815 968194254 /nfs/dbraw/zinc/19/42/54/968194254.db2.gz NYCMRIBNYBJDSM-CHWSQXEVSA-N 2 0 225.380 1.189 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@H+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC001206296134 968200268 /nfs/dbraw/zinc/20/02/68/968200268.db2.gz PPRYKLNQMDWJFV-KGLIPLIRSA-N 3 0 239.407 1.437 20 0 BDADRP Cn1cc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)cn1 ZINC001206303162 968208625 /nfs/dbraw/zinc/20/86/25/968208625.db2.gz CBAKUMWSUOEQMG-ZDUSSCGKSA-N 2 0 236.363 1.371 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC001206308685 968212836 /nfs/dbraw/zinc/21/28/36/968212836.db2.gz GGXAGCLMTRMSGZ-CYBMUJFWSA-N 2 0 226.364 1.582 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cnc[nH]2)CC1 ZINC001206305249 968213389 /nfs/dbraw/zinc/21/33/89/968213389.db2.gz XGIUQCDLUSDLCI-GFCCVEGCSA-N 2 0 222.336 1.361 20 0 BDADRP Cc1nccnc1C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206311577 968217255 /nfs/dbraw/zinc/21/72/55/968217255.db2.gz QWJRNTYNJKQKOH-AWEZNQCLSA-N 2 0 248.374 1.736 20 0 BDADRP [NH3+]CCCC[N@@H+]1CC[C@@](CF)(C(F)(F)F)C1 ZINC001206337743 968247142 /nfs/dbraw/zinc/24/71/42/968247142.db2.gz WGRQKUHABZLQMR-VIFPVBQESA-N 2 0 242.260 1.949 20 0 BDADRP C[C@H]1CN(CC2CC3(C2)CC[NH2+]CC3)CC[NH2+]1 ZINC001206379631 968267546 /nfs/dbraw/zinc/26/75/46/968267546.db2.gz JHIHIJYZPZWPFP-LBPRGKRZSA-N 2 0 237.391 1.060 20 0 BDADRP C[C@@H]1CN(CCC[NH2+]C2CCCCC2)CC[NH2+]1 ZINC001206381415 968267853 /nfs/dbraw/zinc/26/78/53/968267853.db2.gz YCXPZIASZMSQMD-CYBMUJFWSA-N 2 0 239.407 1.593 20 0 BDADRP C[C@H]1CCN(CCCC[NH3+])CC1(F)F ZINC001206500250 968329525 /nfs/dbraw/zinc/32/95/25/968329525.db2.gz JLWNKWVRWKREBK-VIFPVBQESA-N 2 0 206.280 1.702 20 0 BDADRP C[C@@]1(C[NH3+])CCCC[N@H+](CCCCCO)C1 ZINC001206541896 968367353 /nfs/dbraw/zinc/36/73/53/968367353.db2.gz MUBIQZPAKXGCBX-ZDUSSCGKSA-N 2 0 228.380 1.600 20 0 BDADRP Cc1nc[nH]c1C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206548131 968371435 /nfs/dbraw/zinc/37/14/35/968371435.db2.gz HHTIRYAHJZJOPU-CYBMUJFWSA-N 2 0 236.363 1.669 20 0 BDADRP CC[C@H]([NH3+])CN(C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206584201 968400981 /nfs/dbraw/zinc/40/09/81/968400981.db2.gz XMTYXWRTPILONL-STQMWFEESA-N 2 0 227.396 1.576 20 0 BDADRP Cc1nc[nH]c1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206616923 968419717 /nfs/dbraw/zinc/41/97/17/968419717.db2.gz UIVDZTPAWOGBBW-LLVKDONJSA-N 2 0 222.336 1.279 20 0 BDADRP CC[N@@H+]1CCC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC001206710206 968438494 /nfs/dbraw/zinc/43/84/94/968438494.db2.gz XBAXGOSOLUJWOW-CQSZACIVSA-N 2 0 240.391 1.973 20 0 BDADRP C[C@H]1C[C@@H]([N@H+](C)C2CCC([NH3+])CC2)CCO1 ZINC000085869256 968507967 /nfs/dbraw/zinc/50/79/67/968507967.db2.gz RKCVLRSEWOMHHI-WTIISPKJSA-N 2 0 226.364 1.756 20 0 BDADRP CCCC[C@@H](O)C[NH2+]CC12CC[NH+](CC1)CC2 ZINC001252109638 968591770 /nfs/dbraw/zinc/59/17/70/968591770.db2.gz CHMGBWJCJNMDAF-CYBMUJFWSA-N 2 0 240.391 1.613 20 0 BDADRP C[NH+](C)[C@H]1CC[C@H]([NH2+]CC(C)(C)O)CC1 ZINC001252370041 968648085 /nfs/dbraw/zinc/64/80/85/968648085.db2.gz IMQSTLOXQOBVLJ-XYPYZODXSA-N 2 0 214.353 1.220 20 0 BDADRP C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205985642 968669009 /nfs/dbraw/zinc/66/90/09/968669009.db2.gz ZCKLESAVYSESNO-LPWJVIDDSA-N 2 0 210.365 1.949 20 0 BDADRP C[NH+](C)CC(C)(C)CN1CCC[N@H+](C)CC1 ZINC001207276463 968709436 /nfs/dbraw/zinc/70/94/36/968709436.db2.gz XBXAYXBIUIETTP-UHFFFAOYSA-N 2 0 227.396 1.212 20 0 BDADRP CO[C@@H](C)C1C[NH+](CC2CC[NH+](C)CC2)C1 ZINC001207401119 968752943 /nfs/dbraw/zinc/75/29/43/968752943.db2.gz LUGXKKXVFPAMIY-NSHDSACASA-N 2 0 226.364 1.295 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CC[C@@H]3OCC[C@H]3C2)CC1 ZINC001207399640 968753107 /nfs/dbraw/zinc/75/31/07/968753107.db2.gz QBYKQUQGJVEHNO-KBPBESRZSA-N 2 0 238.375 1.439 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCc3cccnc3C2)CC1 ZINC001207399158 968753220 /nfs/dbraw/zinc/75/32/20/968753220.db2.gz DZPNTEKUZRMZCL-UHFFFAOYSA-N 2 0 245.370 1.782 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CCC[C@]2(CCO2)C1 ZINC001207439414 968773414 /nfs/dbraw/zinc/77/34/14/968773414.db2.gz SPGYBBUOPHITJT-ZDUSSCGKSA-N 2 0 224.348 1.241 20 0 BDADRP Cc1cnc2c(c1)C[N@@H+](CC1CC[NH2+]CC1)CC2 ZINC001207441820 968775164 /nfs/dbraw/zinc/77/51/64/968775164.db2.gz MQTRKIXJDARPGH-UHFFFAOYSA-N 2 0 245.370 1.748 20 0 BDADRP C[NH+]1CCC(CC[NH+]2CCC(O)CC2)CC1 ZINC001207480234 968794538 /nfs/dbraw/zinc/79/45/38/968794538.db2.gz XNRYRDBOFRIBFF-UHFFFAOYSA-N 2 0 226.364 1.175 20 0 BDADRP C[NH+]1CCC(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001207480196 968796502 /nfs/dbraw/zinc/79/65/02/968796502.db2.gz WLUKDDQNHDQLFD-OKILXGFUSA-N 2 0 238.375 1.582 20 0 BDADRP C[C@@H]1C[N@H+](CCC2CC[NH+](C)CC2)CC[C@@H]1O ZINC001207479967 968797368 /nfs/dbraw/zinc/79/73/68/968797368.db2.gz QVCTWIATSPIKSJ-OCCSQVGLSA-N 2 0 240.391 1.421 20 0 BDADRP C[NH+]1CCC(CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001207483919 968798292 /nfs/dbraw/zinc/79/82/92/968798292.db2.gz JAMNXVSCPNQZRZ-UHFFFAOYSA-N 2 0 240.391 1.829 20 0 BDADRP CCC[C@@H](O)C[NH2+]CCC[NH+](CC)CC ZINC001252772275 968940970 /nfs/dbraw/zinc/94/09/70/968940970.db2.gz YLYUWMWPINXIAJ-GFCCVEGCSA-N 2 0 216.369 1.469 20 0 BDADRP CC[NH+]1C[C@@H]2C[NH+](C[C@@H]3CCCCO3)C[C@H]2C1 ZINC001207963336 968959206 /nfs/dbraw/zinc/95/92/06/968959206.db2.gz GCDCQUDYLGXUOL-MCIONIFRSA-N 2 0 238.375 1.439 20 0 BDADRP C[NH+](C)CCC[N@H+](C)CCCn1cccn1 ZINC001208083500 968989542 /nfs/dbraw/zinc/98/95/42/968989542.db2.gz VROSVTDBOGFFCE-UHFFFAOYSA-N 2 0 224.352 1.157 20 0 BDADRP CCC[C@H](O)C[NH2+]CCCC1CC[NH+](C)CC1 ZINC001252804978 968992162 /nfs/dbraw/zinc/99/21/62/968992162.db2.gz AZRVZHHVZMDSIC-AWEZNQCLSA-N 2 0 242.407 1.859 20 0 BDADRP C[C@H]1C[N@H+](CC2(C)CC[NH+](C)CC2)CC[C@H]1O ZINC001208107058 968995603 /nfs/dbraw/zinc/99/56/03/968995603.db2.gz IXDVPQDIJWMULV-QWHCGFSZSA-N 2 0 240.391 1.421 20 0 BDADRP C[NH+]1CCC(C)(C[N@@H+]2CCC[C@@H](O)C2)CC1 ZINC001208105243 969004008 /nfs/dbraw/zinc/00/40/08/969004008.db2.gz SPRDDERKGVBJQF-GFCCVEGCSA-N 2 0 226.364 1.175 20 0 BDADRP CC(C)[N@H+](CCCO)CC1(C)CC[NH+](C)CC1 ZINC001208114124 969007418 /nfs/dbraw/zinc/00/74/18/969007418.db2.gz RSCYYFZQKYHIKF-UHFFFAOYSA-N 2 0 242.407 1.811 20 0 BDADRP CN1CC[C@@H]([N@H+](C)CC2(C)CC[NH+](C)CC2)C1 ZINC001208112883 969010144 /nfs/dbraw/zinc/01/01/44/969010144.db2.gz BSUBLGCJKNBDDY-CYBMUJFWSA-N 2 0 239.407 1.354 20 0 BDADRP C[NH+](C)CCN1CCC(C)([NH+]2CCCC2)CC1 ZINC001208130377 969029611 /nfs/dbraw/zinc/02/96/11/969029611.db2.gz YGZYEZQFNGKVRV-UHFFFAOYSA-N 2 0 239.407 1.498 20 0 BDADRP C[N@@H+]1CCC=C(c2cnc3c(c2)C[NH2+]CC3)C1 ZINC001241569947 969058390 /nfs/dbraw/zinc/05/83/90/969058390.db2.gz BFVJJBFGGXPNBJ-UHFFFAOYSA-N 2 0 229.327 1.446 20 0 BDADRP CC[N@H+](CCOC)CC1CC[NH+](CC)CC1 ZINC001208595449 969151951 /nfs/dbraw/zinc/15/19/51/969151951.db2.gz UASBSOFVFOCPCH-UHFFFAOYSA-N 2 0 228.380 1.687 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH+]2CC[C@@]3(CCOC3)C2)C1 ZINC001208605192 969156654 /nfs/dbraw/zinc/15/66/54/969156654.db2.gz ALVOHTUVMOTEEL-ZIAGYGMSSA-N 2 0 238.375 1.441 20 0 BDADRP Cc1cc(C[NH3+])nn1-c1cc(C[NH+](C)C)ccn1 ZINC001156045043 969156794 /nfs/dbraw/zinc/15/67/94/969156794.db2.gz VUQGMQDZVPYVBQ-UHFFFAOYSA-N 2 0 245.330 1.096 20 0 BDADRP CC[NH+]1CCC(C[N@H+](C)Cc2ccncn2)CC1 ZINC001208604651 969157829 /nfs/dbraw/zinc/15/78/29/969157829.db2.gz ROYSRLIVKZBVQY-UHFFFAOYSA-N 2 0 248.374 1.640 20 0 BDADRP CC[N@H+](CC1CC[NH+](CC)CC1)C1CN(C)C1 ZINC001208602517 969159307 /nfs/dbraw/zinc/15/93/07/969159307.db2.gz GQTQWSJZMLLLDK-UHFFFAOYSA-N 2 0 239.407 1.354 20 0 BDADRP CC(=O)[C@@H]1CCC[N@H+]1C[C@H]1CCCN(C)C1 ZINC001208612582 969170218 /nfs/dbraw/zinc/17/02/18/969170218.db2.gz CQIJGYFUHSAGMV-STQMWFEESA-N 2 0 224.348 1.382 20 0 BDADRP C[NH+](C)CCN(CCC1CC1)CC[NH+](C)C ZINC001208683298 969191865 /nfs/dbraw/zinc/19/18/65/969191865.db2.gz AJYSCPRGYVRQGE-UHFFFAOYSA-N 2 0 227.396 1.212 20 0 BDADRP [NH3+][C@H]1CCN(c2ccc(C[NH+]3CCCC3)cn2)C1 ZINC001156232774 969262171 /nfs/dbraw/zinc/26/21/71/969262171.db2.gz JSTQJHUPBBRLDG-ZDUSSCGKSA-N 2 0 246.358 1.215 20 0 BDADRP [NH3+]CCc1cnn(-c2c[nH+]cc3cc[nH]c32)c1 ZINC001168950428 969290406 /nfs/dbraw/zinc/29/04/06/969290406.db2.gz VKFAWRDLQUQYBI-UHFFFAOYSA-N 2 0 227.271 1.250 20 0 BDADRP Cc1n[nH]cc1C[N@@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205996358 969345887 /nfs/dbraw/zinc/34/58/87/969345887.db2.gz WKENIJWCJTXTKC-ZYHUDNBSSA-N 2 0 236.363 1.525 20 0 BDADRP CCOC(C)(C)C[NH+]1C[C@H]2C[NH+](CC)C[C@@H]2C1 ZINC001209078912 969349976 /nfs/dbraw/zinc/34/99/76/969349976.db2.gz ORRBKSMLLCNECO-CHWSQXEVSA-N 2 0 240.391 1.685 20 0 BDADRP C[NH+](C)CCCCC[NH2+]C[C@H](O)C(C)(C)C ZINC001253740690 969358898 /nfs/dbraw/zinc/35/88/98/969358898.db2.gz HMMWSTBIPBKHCI-LBPRGKRZSA-N 2 0 230.396 1.715 20 0 BDADRP C[C@H]([NH3+])c1ccn([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC001169100528 969392538 /nfs/dbraw/zinc/39/25/38/969392538.db2.gz KNUCYECRLRXNEO-YFKTTZPYSA-N 2 0 234.347 1.701 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](n1ccnc1C[NH3+])C2 ZINC001169080361 969402848 /nfs/dbraw/zinc/40/28/48/969402848.db2.gz MUMPJPLNSZNPRW-JGPRNRPPSA-N 2 0 220.320 1.140 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(C)CCOCC1)C2 ZINC001169080422 969403154 /nfs/dbraw/zinc/40/31/54/969403154.db2.gz NGMVZTNUAKPDRP-CLLJXQQHSA-N 2 0 238.375 1.770 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H]1CC[C@H](O)C1)C2 ZINC001169079798 969403281 /nfs/dbraw/zinc/40/32/81/969403281.db2.gz LPKAGGYWTNQOSU-RGDJUOJXSA-N 2 0 238.375 1.362 20 0 BDADRP CC(C)[C@@H](O)C[NH2+]C(C)(C)CC[NH+](C)C ZINC001253783135 969404229 /nfs/dbraw/zinc/40/42/29/969404229.db2.gz VRLXYWLYLZIJIP-NSHDSACASA-N 2 0 216.369 1.323 20 0 BDADRP Cc1ncn([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1CC[NH3+] ZINC001169089649 969407720 /nfs/dbraw/zinc/40/77/20/969407720.db2.gz FGANHKKROBGBKZ-CLLJXQQHSA-N 2 0 248.374 1.490 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1cccc1C[NH3+])C2 ZINC001169089325 969408114 /nfs/dbraw/zinc/40/81/14/969408114.db2.gz BIDRMVCNBWFINE-PJXYFTJBSA-N 2 0 219.332 1.745 20 0 BDADRP Cc1ncn([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1CC[NH3+] ZINC001169089652 969409310 /nfs/dbraw/zinc/40/93/10/969409310.db2.gz FGANHKKROBGBKZ-ITGUQSILSA-N 2 0 248.374 1.490 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@H](O)CC1)C2 ZINC001169126333 969433230 /nfs/dbraw/zinc/43/32/30/969433230.db2.gz RWCSKXFQTIFRJO-XJFOESAGSA-N 2 0 238.375 1.458 20 0 BDADRP CC[N@H+](CCCC1OCCO1)CCC[NH+](C)C ZINC001209308370 969439482 /nfs/dbraw/zinc/43/94/82/969439482.db2.gz ANCQNDBARSGZMY-UHFFFAOYSA-N 2 0 244.379 1.413 20 0 BDADRP COC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CC1 ZINC001169109305 969443473 /nfs/dbraw/zinc/44/34/73/969443473.db2.gz AFNADMDTOBMMOV-XJFOESAGSA-N 2 0 238.375 1.626 20 0 BDADRP C[C@H]1C[C@@H]1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001209411093 969474506 /nfs/dbraw/zinc/47/45/06/969474506.db2.gz BCFFMRLBYSCAIF-LOWDOPEQSA-N 2 0 208.349 1.526 20 0 BDADRP C[C@H]1C[N@H+](Cc2cc[nH]c2)CCC[C@@H]1C[NH3+] ZINC001206004176 969480929 /nfs/dbraw/zinc/48/09/29/969480929.db2.gz QWXQRZLYTKXSGD-WCQYABFASA-N 2 0 221.348 1.822 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccncc2N)CCC[C@@H]1C[NH3+] ZINC001206003243 969481540 /nfs/dbraw/zinc/48/15/40/969481540.db2.gz FYNABMKKXFYRSY-VXGBXAGGSA-N 2 0 248.374 1.471 20 0 BDADRP CC[NH+]1CCC([NH2+]CCC2COC2)CC1 ZINC001169230362 969501245 /nfs/dbraw/zinc/50/12/45/969501245.db2.gz ZHFFSEFEUFJOJJ-UHFFFAOYSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@H]([NH3+])c1ccn(-c2ccc3[nH]c(N)[nH+]c3c2)n1 ZINC001169234248 969512251 /nfs/dbraw/zinc/51/22/51/969512251.db2.gz VZKDMOVMXVAUAX-ZETCQYMHSA-N 2 0 242.286 1.351 20 0 BDADRP C[C@H]([NH3+])c1ccn(-c2ccc(C3([NH3+])CC3)cc2)n1 ZINC001169232706 969513202 /nfs/dbraw/zinc/51/32/02/969513202.db2.gz ITMXILHOBIOBKL-JTQLQIEISA-N 2 0 242.326 1.840 20 0 BDADRP CCc1cc(-n2ccc([C@@H](C)[NH3+])n2)cc[nH+]1 ZINC001169234334 969514620 /nfs/dbraw/zinc/51/46/20/969514620.db2.gz HBIFZUKLDLDNDM-SECBINFHSA-N 2 0 216.288 1.849 20 0 BDADRP CC[NH+]1CCC(N2CC[C@H]3COC[C@@H]3C2)CC1 ZINC001169265187 969524555 /nfs/dbraw/zinc/52/45/55/969524555.db2.gz NINQLEAQQYPSLY-STQMWFEESA-N 2 0 238.375 1.439 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@H]2CC[C@H](O)CC2)CC1 ZINC001169242117 969529364 /nfs/dbraw/zinc/52/93/64/969529364.db2.gz WOYORIONGWAWBE-MQMHXKEQSA-N 2 0 240.391 1.611 20 0 BDADRP CC[NH+]1CCC(N2CCC([NH+](C)C)CC2)CC1 ZINC001169244205 969531431 /nfs/dbraw/zinc/53/14/31/969531431.db2.gz HVLLDXNCBZUAQG-UHFFFAOYSA-N 2 0 239.407 1.497 20 0 BDADRP CC[NH+]1CCC(N2CC([NH+]3CCCC3)C2)CC1 ZINC001169258217 969544285 /nfs/dbraw/zinc/54/42/85/969544285.db2.gz GROORPHKXCMKHB-UHFFFAOYSA-N 2 0 237.391 1.251 20 0 BDADRP CC[NH+]1CCC(N2CCO[C@H](C(C)C)C2)CC1 ZINC001169261203 969546275 /nfs/dbraw/zinc/54/62/75/969546275.db2.gz CWPPMTXDQSXNKY-AWEZNQCLSA-N 2 0 240.391 1.828 20 0 BDADRP CC(C)[NH+]1CCC(C[NH2+][C@H]2CCCOC2)CC1 ZINC001254367194 969581418 /nfs/dbraw/zinc/58/14/18/969581418.db2.gz DUDXOKLIZUVCFB-AWEZNQCLSA-N 2 0 240.391 1.875 20 0 BDADRP C[NH+](C)[C@H]1CC[C@@H]([NH2+][C@H]2CCCOC2)CC1 ZINC001254375758 969591080 /nfs/dbraw/zinc/59/10/80/969591080.db2.gz RYTRIOGSDLRLIY-RWMBFGLXSA-N 2 0 226.364 1.628 20 0 BDADRP C[C@H]([NH3+])c1nccn1[C@@H]1CCC[N@H+](C)CC1 ZINC001254498393 969657188 /nfs/dbraw/zinc/65/71/88/969657188.db2.gz YKUDECFVGPDMFU-WDEREUQCSA-N 2 0 222.336 1.560 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+]CCN2CCCCO2)CC1 ZINC001254498292 969660217 /nfs/dbraw/zinc/66/02/17/969660217.db2.gz UNTQXPYTMSUEQU-ZDUSSCGKSA-N 2 0 241.379 1.088 20 0 BDADRP Cc1ccc(C[NH2+][C@@H]2CCC[N@H+](C)CC2)n1C ZINC001254499790 969661348 /nfs/dbraw/zinc/66/13/48/969661348.db2.gz APCZUOXKZFZFEU-CYBMUJFWSA-N 2 0 235.375 1.907 20 0 BDADRP C[N@@H+]1CCC[C@@H](n2ccc(C[NH3+])cc2=N)CC1 ZINC001254501819 969669347 /nfs/dbraw/zinc/66/93/47/969669347.db2.gz YMZCEHBPNPPPBT-GFCCVEGCSA-N 2 0 234.347 1.083 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+][C@H]2C[C@@]23CCCOC3)CC1 ZINC001254511957 969678729 /nfs/dbraw/zinc/67/87/29/969678729.db2.gz HJSZXVAOFAWXHY-MELADBBJSA-N 2 0 238.375 1.629 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+]C[C@H]2CC[C@H](O)CC2)CC1 ZINC001254512200 969682025 /nfs/dbraw/zinc/68/20/25/969682025.db2.gz KHYAOSVLFFZLNM-MGPQQGTHSA-N 2 0 240.391 1.611 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH+]2CCCC3(COC3)C2)CC1 ZINC001254520645 969693876 /nfs/dbraw/zinc/69/38/76/969693876.db2.gz OYVFBLYXDRKEGD-CYBMUJFWSA-N 2 0 238.375 1.583 20 0 BDADRP C[C@@H]1CC[C@@H](O)C[N@@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254517353 969700341 /nfs/dbraw/zinc/70/03/41/969700341.db2.gz URQINRJUQIHFIY-JHJVBQTASA-N 2 0 226.364 1.316 20 0 BDADRP C[C@@H]1[C@H](CO)CC[N@@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254517632 969700717 /nfs/dbraw/zinc/70/07/17/969700717.db2.gz XNXTWMDXKVAFHG-FRRDWIJNSA-N 2 0 226.364 1.173 20 0 BDADRP CO[C@@H](C)C1C[NH+]([C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254532105 969730382 /nfs/dbraw/zinc/73/03/82/969730382.db2.gz PDCFXONGLUDKDZ-WCQYABFASA-N 2 0 226.364 1.437 20 0 BDADRP c1cc2c(nc1NCC[C@H]1CCC[NH2+]1)C[NH2+]CC2 ZINC001169563148 969758977 /nfs/dbraw/zinc/75/89/77/969758977.db2.gz SUERJSRTUSIYIP-GFCCVEGCSA-N 2 0 246.358 1.281 20 0 BDADRP C[C@H]([NH3+])c1ccc(NCC[C@H]2CCC[NH2+]2)cn1 ZINC001169570058 969770076 /nfs/dbraw/zinc/77/00/76/969770076.db2.gz WHXBEVXMZAFDCY-WDEREUQCSA-N 2 0 234.347 1.655 20 0 BDADRP CC1([NH3+])CCN([C@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254847231 969803218 /nfs/dbraw/zinc/80/32/18/969803218.db2.gz GCPAGVAMINAKIA-ZDUSSCGKSA-N 2 0 237.391 1.284 20 0 BDADRP [NH3+]CCc1cccn1[C@H]1CC2CC[NH+](CC2)C1 ZINC001254847100 969803241 /nfs/dbraw/zinc/80/32/41/969803241.db2.gz DCBJPRHFQNBEFV-AWEZNQCLSA-N 2 0 233.359 1.646 20 0 BDADRP CC[NH+]1CCN([C@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254852292 969805943 /nfs/dbraw/zinc/80/59/43/969805943.db2.gz GAHNBTGQVLTEED-AWEZNQCLSA-N 2 0 237.391 1.108 20 0 BDADRP C1C([NH+]2CCCC2)CN1[C@H]1CC2CC[NH+](CC2)C1 ZINC001254860896 969810077 /nfs/dbraw/zinc/81/00/77/969810077.db2.gz DDKJHMXRTXCIHC-AWEZNQCLSA-N 2 0 249.402 1.251 20 0 BDADRP C1C[C@H]2CN([C@@H]3CC4CC[NH+](CC4)C3)CC[N@@H+]2C1 ZINC001254862062 969810103 /nfs/dbraw/zinc/81/01/03/969810103.db2.gz GXZZMBVGLQQODB-LSDHHAIUSA-N 2 0 249.402 1.251 20 0 BDADRP Cn1c[nH+]cc1NC(C)(C)CC[NH+](C)C ZINC001169717121 969832273 /nfs/dbraw/zinc/83/22/73/969832273.db2.gz DNYZDGHBKPJLDN-UHFFFAOYSA-N 2 0 210.325 1.562 20 0 BDADRP Cn1c(=O)cccc1[NH2+]CC12CC[NH+](CC1)CC2 ZINC001169802291 969849033 /nfs/dbraw/zinc/84/90/33/969849033.db2.gz LHMDHVRPEFPLEX-UHFFFAOYSA-N 2 0 247.342 1.283 20 0 BDADRP [NH3+]Cc1ccnc(NCC23CC[NH+](CC2)CC3)c1 ZINC001169793031 969861156 /nfs/dbraw/zinc/86/11/56/969861156.db2.gz KRIMEXBGGBZELS-UHFFFAOYSA-N 2 0 246.358 1.438 20 0 BDADRP CC[C@H]([NH3+])CN1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001210311693 969861988 /nfs/dbraw/zinc/86/19/88/969861988.db2.gz MVNRGOUEVVWQGN-LSDHHAIUSA-N 2 0 247.386 1.240 20 0 BDADRP C[NH2+]CCCN1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001210311665 969862629 /nfs/dbraw/zinc/86/26/29/969862629.db2.gz MGMUGJOPILPKCT-OAHLLOKOSA-N 2 0 247.386 1.112 20 0 BDADRP C[C@@H]1CCN(C[C@@H]([NH3+])c2ccccc2)CC[NH2+]1 ZINC001210475807 969898997 /nfs/dbraw/zinc/89/89/97/969898997.db2.gz PERBZRHIJBSECP-TZMCWYRMSA-N 2 0 233.359 1.370 20 0 BDADRP C[C@@H]1CCN(CC[C@@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001210474072 969899931 /nfs/dbraw/zinc/89/99/31/969899931.db2.gz DFZCJUCDDOXQEQ-OLZOCXBDSA-N 2 0 225.380 1.202 20 0 BDADRP C[NH+](C)[C@H]1CC[C@@H]([NH2+][C@@H]2CCSC2)CC1 ZINC001255279433 970034955 /nfs/dbraw/zinc/03/49/55/970034955.db2.gz OOQZCJWWVWWTIA-UTUOFQBUSA-N 2 0 228.405 1.954 20 0 BDADRP CC(C)([NH3+])c1ccccc1NC[C@@H]1COCC[NH2+]1 ZINC001170045372 970071958 /nfs/dbraw/zinc/07/19/58/970071958.db2.gz ACTDCISDQFCZTB-LLVKDONJSA-N 2 0 249.358 1.281 20 0 BDADRP CN(c1ccccc1CC[NH3+])C(C)(C)C[NH3+] ZINC001170059342 970111720 /nfs/dbraw/zinc/11/17/20/970111720.db2.gz GYCQXVXZONBMTE-UHFFFAOYSA-N 2 0 221.348 1.361 20 0 BDADRP C[N@@H+]1CC[C@H](n2ccc3cc(C[NH3+])ccc32)C1 ZINC001255414595 970134656 /nfs/dbraw/zinc/13/46/56/970134656.db2.gz ZYRWALWEWZPPRQ-ZDUSSCGKSA-N 2 0 229.327 1.977 20 0 BDADRP C[N@@H+]1CC[C@@H](n2ccc3cc(C[NH3+])ccc32)C1 ZINC001255414594 970137048 /nfs/dbraw/zinc/13/70/48/970137048.db2.gz ZYRWALWEWZPPRQ-CYBMUJFWSA-N 2 0 229.327 1.977 20 0 BDADRP CN1CC[C@H]([NH2+][C@H]2CC[C@H]([NH+](C)C)CC2)C1 ZINC001255422630 970144947 /nfs/dbraw/zinc/14/49/47/970144947.db2.gz OZPVBGBZFHVQAI-AVGNSLFASA-N 2 0 225.380 1.153 20 0 BDADRP C[N@@H+]1CC[C@H](N2CCC([NH3+])(CC3CC3)CC2)C1 ZINC001255423498 970145485 /nfs/dbraw/zinc/14/54/85/970145485.db2.gz WMLLYDJHZYRSMG-ZDUSSCGKSA-N 2 0 237.391 1.284 20 0 BDADRP CN1CCC[C@H]([NH2+]CCCCC[NH+](C)C)C1 ZINC001255467742 970195599 /nfs/dbraw/zinc/19/55/99/970195599.db2.gz JTWYUOLOBPJPIT-ZDUSSCGKSA-N 2 0 227.396 1.402 20 0 BDADRP C[N@@H+]1CCC[C@H](n2ncc3cccc(C[NH3+])c32)C1 ZINC001255472214 970203890 /nfs/dbraw/zinc/20/38/90/970203890.db2.gz QUXWVAQICVKXRJ-ZDUSSCGKSA-N 2 0 244.342 1.762 20 0 BDADRP Cc1nc2c(n1[C@@H]1CCC[N@@H+](C)C1)CC[NH2+]CC2 ZINC001255484340 970229367 /nfs/dbraw/zinc/22/93/67/970229367.db2.gz XPBPSQKUSFLEDG-GFCCVEGCSA-N 2 0 248.374 1.146 20 0 BDADRP C[N@H+](C1CC1)[C@@H]1CCN([C@H]2CCC[NH+](C)C2)C1 ZINC001255492885 970249610 /nfs/dbraw/zinc/24/96/10/970249610.db2.gz NDOWYYFYJBIYGB-KGLIPLIRSA-N 2 0 237.391 1.249 20 0 BDADRP C[N@@H+]1CCC[C@@H](n2ccc3c2CC[NH2+]C3)C1 ZINC001255494489 970252552 /nfs/dbraw/zinc/25/25/52/970252552.db2.gz HEGZHKYFFHYEGA-GFCCVEGCSA-N 2 0 219.332 1.401 20 0 BDADRP C[N@@H+]1CC[C@]2(CCN([C@@H]3CCC[NH+](C)C3)C2)C1 ZINC001255492625 970253025 /nfs/dbraw/zinc/25/30/25/970253025.db2.gz IYUAJWMTJZESDD-KGLIPLIRSA-N 2 0 237.391 1.108 20 0 BDADRP CC1(C)C[C@H]([NH2+]CCSCC[NH3+])CCO1 ZINC001255532914 970295330 /nfs/dbraw/zinc/29/53/30/970295330.db2.gz NHIUWAKGEFOVEZ-SNVBAGLBSA-N 2 0 232.393 1.226 20 0 BDADRP C1=C(c2ccc(C[NH+]3CCCC3)cn2)C[NH2+]C1 ZINC001243108450 970335890 /nfs/dbraw/zinc/33/58/90/970335890.db2.gz DGGOXTRJMNNSTE-UHFFFAOYSA-N 2 0 229.327 1.664 20 0 BDADRP COC[C@H](C)[NH2+]CCCC1CC[NH+](C)CC1 ZINC001255561415 970344828 /nfs/dbraw/zinc/34/48/28/970344828.db2.gz BQFRTTNASSZBJP-LBPRGKRZSA-N 2 0 228.380 1.733 20 0 BDADRP COC[C@H](C)[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001255578158 970385149 /nfs/dbraw/zinc/38/51/49/970385149.db2.gz FFQKEOJASZCSCQ-NSHDSACASA-N 2 0 212.337 1.049 20 0 BDADRP [NH3+]CC1CC[NH+](C[C@H](O)Cc2ccccc2)CC1 ZINC000204072701 970509870 /nfs/dbraw/zinc/50/98/70/970509870.db2.gz ZJWSOMFZWUZJPA-OAHLLOKOSA-N 2 0 248.370 1.261 20 0 BDADRP CC[NH+](CC)CC[C@H](C)n1ccnc1C[NH3+] ZINC001255940588 970569812 /nfs/dbraw/zinc/56/98/12/970569812.db2.gz DTNHRXFGBDZMFV-NSHDSACASA-N 2 0 224.352 1.635 20 0 BDADRP CC[NH+](CC)CC[C@H](C)n1cncc1C[NH3+] ZINC001255940799 970572831 /nfs/dbraw/zinc/57/28/31/970572831.db2.gz GTWNXPCVDRWDFG-NSHDSACASA-N 2 0 224.352 1.635 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCCSC1)C1CC[NH2+]CC1 ZINC000400331067 970578017 /nfs/dbraw/zinc/57/80/17/970578017.db2.gz FYPMLXVEEKODKT-ZYHUDNBSSA-N 2 0 228.405 1.860 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N1CC[C@H]([NH3+])C1 ZINC001255942828 970578254 /nfs/dbraw/zinc/57/82/54/970578254.db2.gz INFBSZCXTWGBIQ-RYUDHWBXSA-N 2 0 213.369 1.140 20 0 BDADRP C[C@H]([NH2+]Cc1cccnc1)C1CC[NH2+]CC1 ZINC000400336755 970578502 /nfs/dbraw/zinc/57/85/02/970578502.db2.gz DMISUKDWZXMSRJ-NSHDSACASA-N 2 0 219.332 1.559 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H](C)C(C)(C)O ZINC001255950822 970580946 /nfs/dbraw/zinc/58/09/46/970580946.db2.gz CNKKWCBVYMNZNQ-VXGBXAGGSA-N 2 0 230.396 1.856 20 0 BDADRP COC[C@H](C)C[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000400345502 970582076 /nfs/dbraw/zinc/58/20/76/970582076.db2.gz KDNZXFRDUWWXSK-MNOVXSKESA-N 2 0 214.353 1.247 20 0 BDADRP C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)[C@H]1CCCO1 ZINC000400433553 970589248 /nfs/dbraw/zinc/58/92/48/970589248.db2.gz LWKMFYRSOSEMJU-GMXVVIOVSA-N 2 0 226.364 1.532 20 0 BDADRP CSC(C)(C)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400479842 970593182 /nfs/dbraw/zinc/59/31/82/970593182.db2.gz BPBDWRRNFPGZAA-ZJUUUORDSA-N 2 0 216.394 1.858 20 0 BDADRP CCn1ccnc1C[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000400464181 970593413 /nfs/dbraw/zinc/59/34/13/970593413.db2.gz VMSPYZLPVGXRKW-NSHDSACASA-N 2 0 236.363 1.381 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001255969191 970607726 /nfs/dbraw/zinc/60/77/26/970607726.db2.gz VADOQSIBELEFPO-ZIAGYGMSSA-N 2 0 239.407 1.497 20 0 BDADRP Cc1cnc(CC[NH3+])n1C1CC[NH+](C2CC2)CC1 ZINC001256066950 970631349 /nfs/dbraw/zinc/63/13/49/970631349.db2.gz AOVVDZSDHRIZJV-UHFFFAOYSA-N 2 0 248.374 1.492 20 0 BDADRP C[NH+]1CC(CNc2ccccc2C(C)(C)[NH3+])C1 ZINC001170259474 970644703 /nfs/dbraw/zinc/64/47/03/970644703.db2.gz VZMZMJUTPNFFKW-UHFFFAOYSA-N 2 0 233.359 1.854 20 0 BDADRP C[C@H](Cc1ccccc1Cl)[NH2+]C[C@@H](O)C[NH3+] ZINC001170248197 970651162 /nfs/dbraw/zinc/65/11/62/970651162.db2.gz NEXYSMHLRTXGFU-KOLCDFICSA-N 2 0 242.750 1.180 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C(F)F ZINC000401093702 970660936 /nfs/dbraw/zinc/66/09/36/970660936.db2.gz WHRHTSYMMRAYFV-AATLWQCWSA-N 2 0 218.291 1.618 20 0 BDADRP C[C@@H]1C[C@@H](F)C[N@@H+]1C1CCN(C)CC1 ZINC001256202653 970699392 /nfs/dbraw/zinc/69/93/92/970699392.db2.gz KGIXFQKLSJICFW-NXEZZACHSA-N 2 0 200.301 1.513 20 0 BDADRP CN1CCC([N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CC1 ZINC001256207968 970708735 /nfs/dbraw/zinc/70/87/35/970708735.db2.gz SGXNSAGAWALROB-ZMLRMANQSA-N 2 0 212.312 1.513 20 0 BDADRP COCC[C@H]1CCCC[N@@H+]1C1CCN(C)CC1 ZINC001256207620 970713821 /nfs/dbraw/zinc/71/38/21/970713821.db2.gz OPGZFMGFKQSMBZ-CYBMUJFWSA-N 2 0 240.391 1.972 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H]2CO[C@H](C)C2)C1 ZINC000401867997 970745922 /nfs/dbraw/zinc/74/59/22/970745922.db2.gz AEFOSSZTUWHUGF-FRRDWIJNSA-N 2 0 226.364 1.484 20 0 BDADRP [NH3+]CC1(F)CC[NH+](Cc2cc[nH]c2)CC1 ZINC001222537920 972556374 /nfs/dbraw/zinc/55/63/74/972556374.db2.gz IKGBYSLGIVAQGK-UHFFFAOYSA-N 2 0 211.284 1.278 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N2CCCC[C@H]2C[NH3+])CC[NH2+]1 ZINC001246543131 972591836 /nfs/dbraw/zinc/59/18/36/972591836.db2.gz RWPIFWIKTXZZPR-IHRRRGAJSA-N 2 0 239.407 1.576 20 0 BDADRP C(CN1CC[C@H]2C[NH2+]CC[C@H]21)[C@@H]1CCCC[NH2+]1 ZINC001222614139 972606338 /nfs/dbraw/zinc/60/63/38/972606338.db2.gz AFNVOTASZVGOJY-MELADBBJSA-N 2 0 237.391 1.202 20 0 BDADRP C[N@@H+]1CCC[C@@H](N2CCC[C@@H]([NH3+])CC2)CC1 ZINC001246550975 972723928 /nfs/dbraw/zinc/72/39/28/972723928.db2.gz ZOHNJRWPGCCYDB-CHWSQXEVSA-N 2 0 225.380 1.284 20 0 BDADRP [NH3+]C[C@@]1(F)CCC[N@@H+]([C@H]2CCCOCC2)CC1 ZINC001246551780 972729522 /nfs/dbraw/zinc/72/95/22/972729522.db2.gz RCUMGIMYOBFREG-QWHCGFSZSA-N 2 0 244.354 1.708 20 0 BDADRP [NH3+]C[C@]1(F)CCC[N@@H+]([C@H]2CCCOCC2)CC1 ZINC001246551781 972731104 /nfs/dbraw/zinc/73/11/04/972731104.db2.gz RCUMGIMYOBFREG-STQMWFEESA-N 2 0 244.354 1.708 20 0 BDADRP CC[C@@H]1C[C@H](N2CC[NH2+]CC[C@@H]2C)CC[NH2+]1 ZINC001246553610 972744667 /nfs/dbraw/zinc/74/46/67/972744667.db2.gz TUUPVXBAIJDCNX-YNEHKIRRSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H]1CC[N@@H+]([C@H]2COC(C)(C)C2)CC[C@@H]1C[NH3+] ZINC001246554913 972753728 /nfs/dbraw/zinc/75/37/28/972753728.db2.gz CZQPCHQYXUMOJB-JHJVBQTASA-N 2 0 240.391 1.861 20 0 BDADRP C[NH2+][C@H](C)CCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC001327840701 972753674 /nfs/dbraw/zinc/75/36/74/972753674.db2.gz SHJSFHCWPPURDI-DDTOSNHZSA-N 2 0 233.359 1.719 20 0 BDADRP C[C@@H]1CCN([C@@H]2CCCC[NH2+]C2)CC[C@@H]1C[NH3+] ZINC001246561426 972792545 /nfs/dbraw/zinc/79/25/45/972792545.db2.gz SNOZIVBUGSSZPK-MGPQQGTHSA-N 2 0 239.407 1.435 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH3+])N([C@@H]2CC[NH2+]C(C)(C)C2)C1 ZINC001246564129 972800924 /nfs/dbraw/zinc/80/09/24/972800924.db2.gz DEPUBFBFDWPUEK-UPJWGTAASA-N 2 0 239.407 1.576 20 0 BDADRP C[NH2+]CC[C@H](C)N1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001246572504 972857305 /nfs/dbraw/zinc/85/73/05/972857305.db2.gz YAHOAIWYKUJTJO-SRVKXCTJSA-N 2 0 213.369 1.044 20 0 BDADRP C[C@H]1C[N@@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)CCN1 ZINC001246574096 972867620 /nfs/dbraw/zinc/86/76/20/972867620.db2.gz JWIZBNGPAPHKST-QWHCGFSZSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@]1(CO)CCC[N@@H+](C2CC[NH2+]CC2)CC1 ZINC001246577411 972882016 /nfs/dbraw/zinc/88/20/16/972882016.db2.gz RFYCHGWNJFYNIN-ZDUSSCGKSA-N 2 0 226.364 1.223 20 0 BDADRP C[C@H]1C[C@H](N2CCCC[C@@](F)(C[NH3+])C2)CC[NH2+]1 ZINC001246582190 972946945 /nfs/dbraw/zinc/94/69/45/972946945.db2.gz RIHXGEIVJAFOHR-YNEHKIRRSA-N 2 0 243.370 1.280 20 0 BDADRP CC[C@H]1C[C@@H](N2CCCC[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246585657 972961027 /nfs/dbraw/zinc/96/10/27/972961027.db2.gz HNQYGYQFOHOCKY-AVGNSLFASA-N 2 0 225.380 1.330 20 0 BDADRP COC(=O)CCCC[C@H](C)[NH+]1CC(C)(C[NH3+])C1 ZINC001246588180 972988422 /nfs/dbraw/zinc/98/84/22/972988422.db2.gz KPUWKQKFXSKTNH-NSHDSACASA-N 2 0 242.363 1.389 20 0 BDADRP COC[C@H]1CC[N@@H+]([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246601468 973017397 /nfs/dbraw/zinc/01/73/97/973017397.db2.gz VQHXLLIHXDEWBB-GRYCIOLGSA-N 2 0 212.337 1.095 20 0 BDADRP C1C[C@@]2(C[NH2+]1)CCCN([C@H]1CCCC[NH2+]C1)C2 ZINC001246627340 973043310 /nfs/dbraw/zinc/04/33/10/973043310.db2.gz JEKBRUZFOJHOTK-UONOGXRCSA-N 2 0 237.391 1.204 20 0 BDADRP C1C[NH2+][C@]2(C1)CCCN([C@@H]1CCC[NH2+]C1)CC2 ZINC001246629677 973045317 /nfs/dbraw/zinc/04/53/17/973045317.db2.gz FVPPOIWHHAUHGT-ZIAGYGMSSA-N 2 0 237.391 1.347 20 0 BDADRP C1[NH2+][C@H]2C[C@@H]1N([C@H]1CC[NH2+]C3(CCCCC3)C1)C2 ZINC001246678234 973082533 /nfs/dbraw/zinc/08/25/33/973082533.db2.gz QFVARWCPBXEPGT-IHRRRGAJSA-N 2 0 249.402 1.487 20 0 BDADRP CC[C@@H]1C[C@H](N2CC[NH2+]C[C@H]2CC)CC[NH2+]1 ZINC001246805276 973103571 /nfs/dbraw/zinc/10/35/71/973103571.db2.gz RMTUOPIAHQTXKH-JHJVBQTASA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H]1CC[C@H](N2CCC3(CCO3)CC2)C[NH2+]1 ZINC001246832859 973127686 /nfs/dbraw/zinc/12/76/86/973127686.db2.gz CKMDFUORHBSALQ-NEPJUHHUSA-N 2 0 224.348 1.382 20 0 BDADRP C[C@@H]1C[C@@H](C)C[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246836719 973130988 /nfs/dbraw/zinc/13/09/88/973130988.db2.gz BOHHDCDWFWTLDL-UPJWGTAASA-N 2 0 237.391 1.058 20 0 BDADRP [NH3+][C@]12CC[C@@H]1CN([C@@H]1CC[NH2+]C3(CCC3)C1)C2 ZINC001246856479 973166201 /nfs/dbraw/zinc/16/62/01/973166201.db2.gz XMRJGNRZFYUJAY-BZPMIXESSA-N 2 0 235.375 1.084 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1C[C@@H]3CC[C@@]3([NH3+])C1)C2 ZINC001246854667 973170435 /nfs/dbraw/zinc/17/04/35/973170435.db2.gz QNXZIYBFVHBBJL-ODXJTPSBSA-N 2 0 235.375 1.035 20 0 BDADRP CC[N@H+](CCNC(=O)C[NH2+]CC(C)C)C(C)C ZINC001328593536 973171969 /nfs/dbraw/zinc/17/19/69/973171969.db2.gz KWWBXKCQVYZSDG-UHFFFAOYSA-N 2 0 243.395 1.079 20 0 BDADRP C[C@H]1CC[C@H]([N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])C1 ZINC001246861914 973178461 /nfs/dbraw/zinc/17/84/61/973178461.db2.gz RJOLEMPSAYYRBA-GCFWVWJCSA-N 2 0 224.348 1.081 20 0 BDADRP CC(C)[C@H]1C[C@H](N(C2CC2)C2C[NH2+]C2)CC[NH2+]1 ZINC001246861831 973180766 /nfs/dbraw/zinc/18/07/66/973180766.db2.gz FAIXHXIVLARTDX-TZMCWYRMSA-N 2 0 237.391 1.199 20 0 BDADRP C[C@H]1C[C@H](N2CC[NH2+]C[C@@H]2c2ccccc2)C[NH2+]1 ZINC001246888485 973320803 /nfs/dbraw/zinc/32/08/03/973320803.db2.gz WILYIDXSSMUXOT-AEGPPILISA-N 2 0 245.370 1.383 20 0 BDADRP CCN(CC[NH3+])[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246888371 973321106 /nfs/dbraw/zinc/32/11/06/973321106.db2.gz AIXKRONVOAVUJT-CABCVRRESA-N 2 0 247.386 1.760 20 0 BDADRP CC(C)CC[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC001328819871 973355796 /nfs/dbraw/zinc/35/57/96/973355796.db2.gz SDBIWXXAIQGSMY-AWEZNQCLSA-N 2 0 243.439 1.894 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC001329022577 973434464 /nfs/dbraw/zinc/43/44/64/973434464.db2.gz FUIGSHKGYDFYLE-MXWKQRLJSA-N 2 0 200.326 1.142 20 0 BDADRP C[C@H]1C[C@H](N(C)[C@]2(C)CCC[NH2+]C2)CC[NH2+]1 ZINC001246913584 973437404 /nfs/dbraw/zinc/43/74/04/973437404.db2.gz RCCIQNUFONUSKN-YNEHKIRRSA-N 2 0 225.380 1.201 20 0 BDADRP CC[C@@H]1C[C@H](N(C)[C@]2(C)CCC[NH2+]C2)CC[NH2+]1 ZINC001246916862 973470652 /nfs/dbraw/zinc/47/06/52/973470652.db2.gz YCKUTOGFXFJCNR-MGPQQGTHSA-N 2 0 239.407 1.591 20 0 BDADRP CC1(C)CCC[C@H]([N@@H+]2C[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC001246919069 973482718 /nfs/dbraw/zinc/48/27/18/973482718.db2.gz MGQFVAJSHUKJJQ-SRVKXCTJSA-N 2 0 208.349 1.859 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CCC1CCC1 ZINC000234781702 973743294 /nfs/dbraw/zinc/74/32/94/973743294.db2.gz GTHWGZWUTRAJSU-LBPRGKRZSA-N 2 0 214.353 1.520 20 0 BDADRP C[C@H]([NH3+])CN(C)[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246981795 973747878 /nfs/dbraw/zinc/74/78/78/973747878.db2.gz RFRFWCSHQODFOX-QEJZJMRPSA-N 2 0 247.386 1.759 20 0 BDADRP CO[C@@H]1CC[N@H+](CCCCCCC[NH3+])C1 ZINC000234826085 973769798 /nfs/dbraw/zinc/76/97/98/973769798.db2.gz QGWOGOLIECSWEY-GFCCVEGCSA-N 2 0 214.353 1.616 20 0 BDADRP C1=C2[NH2+]CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@@H]2CCC1 ZINC001246991221 973772370 /nfs/dbraw/zinc/77/23/70/973772370.db2.gz AAEIRGVWTFNPJV-RLCAUIQDSA-N 2 0 247.386 1.611 20 0 BDADRP CC(=O)[C@@H]1CCCN1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001247003203 973790828 /nfs/dbraw/zinc/79/08/28/973790828.db2.gz MBSODFVNJXVICJ-HNGCFSAESA-N 2 0 222.332 1.323 20 0 BDADRP [NH3+]CCc1ccccc1NC[C@H]1CCCC[NH2+]1 ZINC001171334131 973862200 /nfs/dbraw/zinc/86/22/00/973862200.db2.gz GIDUFUFRJOIEKH-CYBMUJFWSA-N 2 0 233.359 1.742 20 0 BDADRP CC[NH+]1CCC(OC[C@H]2CCCC[N@@H+]2C)CC1 ZINC001224703431 973870298 /nfs/dbraw/zinc/87/02/98/973870298.db2.gz SGPKRCMKVYHTHE-CYBMUJFWSA-N 2 0 240.391 1.972 20 0 BDADRP Cc1ccncc1-c1noc([C@@H](N)CCC[NH3+])n1 ZINC001247510231 973975002 /nfs/dbraw/zinc/97/50/02/973975002.db2.gz YQTLIDUOTUUEKN-JTQLQIEISA-N 2 0 247.302 1.179 20 0 BDADRP C/C=C(\NC=[NH2+])N1c2ccccc2OC[C@@H]1C[NH3+] ZINC001171389515 973994856 /nfs/dbraw/zinc/99/48/56/973994856.db2.gz MOMXGVCIFMQMBF-XKUVBNHQSA-N 2 0 246.314 1.271 20 0 BDADRP C[NH+](C)Cc1ccccc1N1CC2(CC[N@@H+]2C)C1 ZINC001277003920 974028623 /nfs/dbraw/zinc/02/86/23/974028623.db2.gz KABMKBOMXSPBPV-UHFFFAOYSA-N 2 0 245.370 1.643 20 0 BDADRP C[NH+]1C(C)(C)CC(NOCC[NH3+])CC1(C)C ZINC001171618802 974111995 /nfs/dbraw/zinc/11/19/95/974111995.db2.gz CQNZPQCCKDOJSP-UHFFFAOYSA-N 2 0 229.368 1.118 20 0 BDADRP CC1(C[N@H+]2CC[C@@H](F)[C@@H](N)CC2)CC[NH2+]CC1 ZINC001206152844 974238248 /nfs/dbraw/zinc/23/82/48/974238248.db2.gz BPJMOQGGYYZCSA-NEPJUHHUSA-N 2 0 243.370 1.137 20 0 BDADRP N[C@@H]1CC[N@H+](C[C@H]2CCCOC2)CC[C@@H]1F ZINC001206154249 974323265 /nfs/dbraw/zinc/32/32/65/974323265.db2.gz HYYNFLXSIPWMKW-GRYCIOLGSA-N 2 0 230.327 1.174 20 0 BDADRP N[C@H]1CC[N@H+](CC2CCSCC2)CC[C@@H]1F ZINC001206156882 974333155 /nfs/dbraw/zinc/33/31/55/974333155.db2.gz SZVRPGOXKPZJAV-RYUDHWBXSA-N 2 0 246.395 1.891 20 0 BDADRP C[N@@H+]1CCC[C@H](CN2CC[C@@H](F)[C@@H]([NH3+])CC2)C1 ZINC001206156411 974341867 /nfs/dbraw/zinc/34/18/67/974341867.db2.gz QOJBXOQDGKMBQV-XQQFMLRXSA-N 2 0 243.370 1.089 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](n1ccnc1C[NH3+])C2 ZINC001172100772 974347570 /nfs/dbraw/zinc/34/75/70/974347570.db2.gz SUFGYTGBEOJMOU-ZSBIGDGJSA-N 2 0 234.347 1.530 20 0 BDADRP COCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172100293 974347656 /nfs/dbraw/zinc/34/76/56/974347656.db2.gz OQQBUOZHLAAILV-XYYAHUGASA-N 2 0 226.364 1.628 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1ccc(CC[NH3+])n1)C2 ZINC001172101831 974361301 /nfs/dbraw/zinc/36/13/01/974361301.db2.gz BUNPHBROVSPDJC-WDNDVIMCSA-N 2 0 248.374 1.572 20 0 BDADRP CSCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172102104 974362526 /nfs/dbraw/zinc/36/25/26/974362526.db2.gz JTSRSFHEXGHUQQ-CNDDSTCGSA-N 2 0 228.405 1.954 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1ccc(C[NH3+])n1)C2 ZINC001172103684 974366254 /nfs/dbraw/zinc/36/62/54/974366254.db2.gz WUAYQIMGDBPNJL-ITGUQSILSA-N 2 0 234.347 1.530 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1ccnc1C(N)=[NH2+])C2 ZINC001172108327 974374335 /nfs/dbraw/zinc/37/43/35/974374335.db2.gz UMHAEIFOWVEQJA-URLYPYJESA-N 2 0 247.346 1.355 20 0 BDADRP CCOC1CN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172115881 974383029 /nfs/dbraw/zinc/38/30/29/974383029.db2.gz AIHOJYWZJBXWMD-CLLJXQQHSA-N 2 0 238.375 1.722 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC1CC([NH3+])C1)C2 ZINC001172117573 974385396 /nfs/dbraw/zinc/38/53/96/974385396.db2.gz MUDJFGKRVDKVFP-PAZDGXDMSA-N 2 0 223.364 1.081 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1C[C@@H]3C[C@@H]3C1)C2 ZINC001172121125 974388180 /nfs/dbraw/zinc/38/81/80/974388180.db2.gz PEFDWIARBNEUKG-RVOPOGNISA-N 2 0 220.360 1.953 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172219348 974447170 /nfs/dbraw/zinc/44/71/70/974447170.db2.gz PEBWKJPJEFLYPK-PBNFFQIGSA-N 2 0 238.375 1.770 20 0 BDADRP CC1([NH3+])CC[NH+](C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172234390 974476569 /nfs/dbraw/zinc/47/65/69/974476569.db2.gz LPNXPNQMTHNJGM-YOGCLGLASA-N 2 0 222.332 1.286 20 0 BDADRP Cn1cncc1CC[NH2+]Cc1cccn1C1CC1 ZINC001330830096 974495252 /nfs/dbraw/zinc/49/52/52/974495252.db2.gz NMTSCELZQIGQQK-UHFFFAOYSA-N 2 0 244.342 1.889 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]C2C[C@@H]3C=C[C@H](C2)O3)C1 ZINC001172235719 974496449 /nfs/dbraw/zinc/49/64/49/974496449.db2.gz DWHOAAVRVMZBSZ-PBYDBYKOSA-N 2 0 222.332 1.332 20 0 BDADRP [NH3+]Cc1ccccc1C[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172236081 974496664 /nfs/dbraw/zinc/49/66/64/974496664.db2.gz JFDPGYFSPYKESB-GOOCMWNKSA-N 2 0 244.338 1.721 20 0 BDADRP CCOCC[C@@H](C)[N@H+](C)C1CCN(C)CC1 ZINC001172422678 974697620 /nfs/dbraw/zinc/69/76/20/974697620.db2.gz GZQHXJKDYXTEKO-GFCCVEGCSA-N 2 0 228.380 1.828 20 0 BDADRP CCC1([NH3+])CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001331410344 974710923 /nfs/dbraw/zinc/71/09/23/974710923.db2.gz RZBNYSYWGKRDLG-UHFFFAOYSA-N 2 0 241.379 1.057 20 0 BDADRP Cc1cc(OCCN2C[C@H]3CC[C@@H](C2)O3)ccn1 ZINC001331477399 974736785 /nfs/dbraw/zinc/73/67/85/974736785.db2.gz XQLOFPSNXPKHGJ-OKILXGFUSA-N 2 0 248.326 1.632 20 0 BDADRP CC[NH2+][C@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001331476816 974737601 /nfs/dbraw/zinc/73/76/01/974737601.db2.gz YFCPGYQZCRXJNT-NEPJUHHUSA-N 2 0 243.395 1.029 20 0 BDADRP C[N@@H+]1CC[C@@H](NCCC[NH+]2CCC2)CC1(C)C ZINC001331503651 974744022 /nfs/dbraw/zinc/74/40/22/974744022.db2.gz KIJFRQIBUNUFCL-CYBMUJFWSA-N 2 0 239.407 1.545 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@H](C)CC1CCOCC1 ZINC001331823430 974828511 /nfs/dbraw/zinc/82/85/11/974828511.db2.gz WODLICJSKIOHII-VXGBXAGGSA-N 2 0 228.380 1.779 20 0 BDADRP COC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])C1 ZINC001172614888 974888667 /nfs/dbraw/zinc/88/86/67/974888667.db2.gz ZMWHDIGSBUNAKU-NOOOWODRSA-N 2 0 240.347 1.188 20 0 BDADRP C[C@@H](O)[C@@H](C)[NH2+]CCCCCCC[NH+](C)C ZINC001331974069 974899602 /nfs/dbraw/zinc/89/96/02/974899602.db2.gz ZQZLKQYYQWMSQP-CHWSQXEVSA-N 2 0 230.396 1.857 20 0 BDADRP C[C@H](O)[C@H](C)[NH2+]CCCCCCC[NH+](C)C ZINC001331974081 974900586 /nfs/dbraw/zinc/90/05/86/974900586.db2.gz ZQZLKQYYQWMSQP-STQMWFEESA-N 2 0 230.396 1.857 20 0 BDADRP [NH3+][C@H](C[NH2+][C@@H]1CCCOCC1)CC(F)F ZINC001332010820 974918572 /nfs/dbraw/zinc/91/85/72/974918572.db2.gz DQMCIJINKMNWAP-DTWKUNHWSA-N 2 0 222.279 1.128 20 0 BDADRP CC(C)OC(=O)CC[C@H](C)[NH2+]CCC[NH+](C)C ZINC001172742810 974919490 /nfs/dbraw/zinc/91/94/90/974919490.db2.gz UMSDJQSOLQQSBR-LBPRGKRZSA-N 2 0 244.379 1.648 20 0 BDADRP CC[NH+](CC)C1CCC([NH2+]C2(CN)CC2)CC1 ZINC001173110641 975024253 /nfs/dbraw/zinc/02/42/53/975024253.db2.gz QGBZWABTZNXOSK-UHFFFAOYSA-N 2 0 239.407 1.720 20 0 BDADRP COc1cccc2c1C[C@H]([NH2+]C1CC([NH3+])C1)CO2 ZINC001173163590 975053657 /nfs/dbraw/zinc/05/36/57/975053657.db2.gz LTVUAXPBUWKYJK-ILDUYXDCSA-N 2 0 248.326 1.078 20 0 BDADRP C[C@@H]1CN(C)CC[C@H]1[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC001173171496 975065803 /nfs/dbraw/zinc/06/58/03/975065803.db2.gz XMGKHLIQBKAUEV-YVECIDJPSA-N 2 0 226.364 1.484 20 0 BDADRP CC[C@H]1CC[C@@H]([NH2+]CCSCC[NH3+])C1 ZINC001173274942 975157404 /nfs/dbraw/zinc/15/74/04/975157404.db2.gz RKKWZYNXPNZCJM-WDEREUQCSA-N 2 0 216.394 1.847 20 0 BDADRP CCN1CC[C@@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)C1 ZINC001173349582 975292491 /nfs/dbraw/zinc/29/24/91/975292491.db2.gz IODDHLKLXMVVHU-UONOGXRCSA-N 2 0 239.407 1.402 20 0 BDADRP CC[N@@H+]1CC[C@@H](N2C[C@@H]([NH3+])Cc3ccccc32)C1 ZINC001173348562 975292909 /nfs/dbraw/zinc/29/29/09/975292909.db2.gz RBSJRUBBYWGPEL-UONOGXRCSA-N 2 0 245.370 1.471 20 0 BDADRP CC[N@@H+]1CC[C@H](n2ccc([C@@H](C)[NH3+])n2)C1 ZINC001173350664 975297253 /nfs/dbraw/zinc/29/72/53/975297253.db2.gz OJBOLRFFKOORBP-ZJUUUORDSA-N 2 0 208.309 1.170 20 0 BDADRP CC[N@@H+]1CC[C@H](n2cc3cc(C[NH3+])ccc3n2)C1 ZINC001173352647 975300931 /nfs/dbraw/zinc/30/09/31/975300931.db2.gz SYABDVMDCZQDOY-ZDUSSCGKSA-N 2 0 244.342 1.762 20 0 BDADRP [NH3+]CCCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC001332879381 975303296 /nfs/dbraw/zinc/30/32/96/975303296.db2.gz QLENHXCTNFZNKS-KGLIPLIRSA-N 3 0 239.407 1.483 20 0 BDADRP CC[N@@H+]1CC[C@@H](N(C)C2CC[NH+](C)CC2)C1 ZINC001173356351 975313807 /nfs/dbraw/zinc/31/38/07/975313807.db2.gz HDZDQVUFPCBWLM-CYBMUJFWSA-N 2 0 225.380 1.107 20 0 BDADRP CC[N@@H+]1CC[C@H](N2CCC[NH+](CC)CC2)C1 ZINC001173356077 975314387 /nfs/dbraw/zinc/31/43/87/975314387.db2.gz FAQVCPZCZAVETP-ZDUSSCGKSA-N 2 0 225.380 1.108 20 0 BDADRP CC[N@@H+]1CC[C@H](N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001173365469 975342598 /nfs/dbraw/zinc/34/25/98/975342598.db2.gz ISCPINRJQWWBIP-ZDUSSCGKSA-N 2 0 239.407 1.497 20 0 BDADRP CCCN(CCC[NH+](C)C)[C@@H]1CC[N@H+](CC)C1 ZINC001173366614 975349071 /nfs/dbraw/zinc/34/90/71/975349071.db2.gz ALEPIHOFYNHKQJ-CQSZACIVSA-N 2 0 241.423 1.744 20 0 BDADRP CC[N@@H+]1CC[C@@H](n2ccnc2[C@@H]2CCC[NH2+]C2)C1 ZINC001173371122 975356003 /nfs/dbraw/zinc/35/60/03/975356003.db2.gz KKDJSZILYYJXHD-CHWSQXEVSA-N 2 0 248.374 1.617 20 0 BDADRP CCN(C(=O)CCCCCC[NH3+])[C@H]1CC[NH2+]C1 ZINC001333273976 975611416 /nfs/dbraw/zinc/61/14/16/975611416.db2.gz WBFUOQNIWZERNG-LBPRGKRZSA-N 2 0 241.379 1.106 20 0 BDADRP CC1(C)CCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC001333529598 975832391 /nfs/dbraw/zinc/83/23/91/975832391.db2.gz OPCQYEUNLNUYRM-LBPRGKRZSA-N 2 0 238.375 1.487 20 0 BDADRP C[NH+](C)CCn1cc(Nc2cc[nH+]cc2)cn1 ZINC001173879600 975917250 /nfs/dbraw/zinc/91/72/50/975917250.db2.gz XWHUMCXUMJHBLE-UHFFFAOYSA-N 2 0 231.303 1.005 20 0 BDADRP [NH3+]CCC[C@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1 ZINC001334391063 976487428 /nfs/dbraw/zinc/48/74/28/976487428.db2.gz QOCLJYUKTZXGHY-LJISPDSOSA-N 2 0 245.370 1.274 20 0 BDADRP COc1ccc(CC[NH2+][C@@H](C)C[C@@H](C)[NH3+])cn1 ZINC001335380382 977009521 /nfs/dbraw/zinc/00/95/21/977009521.db2.gz FRJMKPQPZVYSLV-MNOVXSKESA-N 2 0 237.347 1.348 20 0 BDADRP C[N@@H+]1CCCC[C@@H](C[NH2+]C[C@@H](O)C2CC2)C1 ZINC001335428043 977048342 /nfs/dbraw/zinc/04/83/42/977048342.db2.gz ATQFONHLUXGEKY-WCQYABFASA-N 2 0 226.364 1.079 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC001335949309 977380268 /nfs/dbraw/zinc/38/02/68/977380268.db2.gz TZGHZPKTWRQBGB-AOOOYVTPSA-N 2 0 247.333 1.043 20 0 BDADRP C[C@H]([NH3+])CN1CC[C@H](Cc2nccs2)C1 ZINC001336277063 977614962 /nfs/dbraw/zinc/61/49/62/977614962.db2.gz OFGOWAIYPGMUJZ-VHSXEESVSA-N 2 0 225.361 1.355 20 0 BDADRP C[N@@H+]1CC[C@@H](N2Cc3ccccc3C[C@@H]2C[NH3+])C1 ZINC000721641232 977635388 /nfs/dbraw/zinc/63/53/88/977635388.db2.gz NNQNCSGVUAJADH-HUUCEWRRSA-N 2 0 245.370 1.076 20 0 BDADRP COCC[N@H+](C)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232012261 977840338 /nfs/dbraw/zinc/84/03/38/977840338.db2.gz XMHCVPXWCZDRMW-UHFFFAOYSA-N 2 0 219.288 1.641 20 0 BDADRP C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232012323 977840612 /nfs/dbraw/zinc/84/06/12/977840612.db2.gz YSTGVATUFLOZMR-BXKDBHETSA-N 2 0 231.299 1.518 20 0 BDADRP C[NH+]1CCC(n2cc(Nc3[nH]cc[nH+]3)cn2)CC1 ZINC001176082151 977880026 /nfs/dbraw/zinc/88/00/26/977880026.db2.gz WOTFKCPEBIFFDF-UHFFFAOYSA-N 2 0 246.318 1.617 20 0 BDADRP Cc1c[nH+]c2ccccc2c1NCC[NH+](C)C ZINC001337157271 978189703 /nfs/dbraw/zinc/18/97/03/978189703.db2.gz LZIFPANSBRDRIX-UHFFFAOYSA-N 2 0 229.327 1.939 20 0 BDADRP CC[N@@H+]1CC[C@@H](OCCC[NH+](C)C)C1 ZINC001206286698 978219081 /nfs/dbraw/zinc/21/90/81/978219081.db2.gz NFMYRMBCZJMEEZ-LLVKDONJSA-N 2 0 200.326 1.049 20 0 BDADRP C[NH+](C)CCCO[C@@H]1C[NH+]2CCC1CC2 ZINC001206296246 978297920 /nfs/dbraw/zinc/29/79/20/978297920.db2.gz LIXIDVMYCQXKRJ-GFCCVEGCSA-N 2 0 212.337 1.049 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2cccc(N)n2)CC1 ZINC001206317873 978515479 /nfs/dbraw/zinc/51/54/79/978515479.db2.gz KENHCPKYHBLFKM-AWEZNQCLSA-N 2 0 248.374 1.615 20 0 BDADRP NC[C@]1(F)CCCC[N@H+](C[C@@H]2CCCOC2)C1 ZINC001206337320 978601897 /nfs/dbraw/zinc/60/18/97/978601897.db2.gz SYGFTWYRBFFCPC-QWHCGFSZSA-N 2 0 244.354 1.566 20 0 BDADRP [NH3+][C@@H]1C[C@H](F)CN(CCC[NH+]2CCCCC2)C1 ZINC001206404834 978775048 /nfs/dbraw/zinc/77/50/48/978775048.db2.gz NFEOXMZYCPJLQY-QWHCGFSZSA-N 2 0 243.370 1.234 20 0 BDADRP [NH3+][C@H](CN1C[C@H]([NH3+])C[C@H](F)C1)c1ccccc1 ZINC001206403877 978779853 /nfs/dbraw/zinc/77/98/53/978779853.db2.gz JWTQTKPBULJNQD-YNEHKIRRSA-N 2 0 237.322 1.058 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@H]2CO)CC1 ZINC001180038966 978808895 /nfs/dbraw/zinc/80/88/95/978808895.db2.gz HAYFGTNTKNEPQM-ZDUSSCGKSA-N 2 0 226.364 1.175 20 0 BDADRP CC[NH+](CC)CC(=O)N(C(C)C)C(C)(C)C[NH3+] ZINC001180391645 978874081 /nfs/dbraw/zinc/87/40/81/978874081.db2.gz XKDWRBQCIIQGFH-UHFFFAOYSA-N 2 0 243.395 1.303 20 0 BDADRP Cc1csc(C[C@@H]2CCN(C[C@H](C)[NH3+])C2)n1 ZINC001339934738 978944197 /nfs/dbraw/zinc/94/41/97/978944197.db2.gz XBWQBEOQANPCCE-ONGXEEELSA-N 2 0 239.388 1.663 20 0 BDADRP C[NH+]1CCC(CCN2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001235038377 978957510 /nfs/dbraw/zinc/95/75/10/978957510.db2.gz LNJNTJVGFFBSIY-UONOGXRCSA-N 2 0 237.391 1.155 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235042579 978960361 /nfs/dbraw/zinc/96/03/61/978960361.db2.gz XRDPMKXCKLXEEB-ZDUSSCGKSA-N 3 0 225.380 1.333 20 0 BDADRP CCC(CC)C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235053820 978965347 /nfs/dbraw/zinc/96/53/47/978965347.db2.gz KVKGXKGEXIMERC-CYBMUJFWSA-N 2 0 225.380 1.060 20 0 BDADRP [NH3+]CCCC[N@@H+]1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001235092839 978972935 /nfs/dbraw/zinc/97/29/35/978972935.db2.gz WSBNBCIFXQMLKS-NSHDSACASA-N 3 0 247.333 1.046 20 0 BDADRP C[NH+](C)CCN1CC2(C1)CC[NH+](C1CC1)CC2 ZINC001277923798 978976881 /nfs/dbraw/zinc/97/68/81/978976881.db2.gz LSIYTHBDUSSRDZ-UHFFFAOYSA-N 2 0 237.391 1.108 20 0 BDADRP Nc1cccc(CN2CCCC[C@@]23CC[NH2+]C3)c1 ZINC001235116360 978978621 /nfs/dbraw/zinc/97/86/21/978978621.db2.gz GLTZIBOIJCILPY-HNNXBMFYSA-N 2 0 245.370 1.987 20 0 BDADRP O=c1cc(CN2CCCC[C@]23CC[NH2+]C3)cc[nH]1 ZINC001235115779 978979484 /nfs/dbraw/zinc/97/94/84/978979484.db2.gz KIBVACAVOCBIIB-CQSZACIVSA-N 2 0 247.342 1.505 20 0 BDADRP CC(C)C[C@@H]([NH3+])CC(=O)NC1(C)CC[NH2+]CC1 ZINC001340149532 978980089 /nfs/dbraw/zinc/98/00/89/978980089.db2.gz XENVDNFZOMZFDX-LLVKDONJSA-N 2 0 241.379 1.008 20 0 BDADRP C[NH2+]CCC[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235232660 978998818 /nfs/dbraw/zinc/99/88/18/978998818.db2.gz KWYXXRWBHGPBIR-AWEZNQCLSA-N 3 0 239.407 1.450 20 0 BDADRP C(C1C[NH2+]C1)[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235230288 978999464 /nfs/dbraw/zinc/99/94/64/978999464.db2.gz ABXHJHUFBNAGSI-AWEZNQCLSA-N 3 0 237.391 1.060 20 0 BDADRP [NH3+]CCN1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235248650 979007172 /nfs/dbraw/zinc/00/71/72/979007172.db2.gz XPUGGBJFIPJQIL-HUUCEWRRSA-N 2 0 245.370 1.167 20 0 BDADRP [NH3+]CCCC[N@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001235294560 979019081 /nfs/dbraw/zinc/01/90/81/979019081.db2.gz PJYCRFYFALWYRY-AOOOYVTPSA-N 2 0 218.291 1.702 20 0 BDADRP C[C@@H]1C[NH2+][C@@H](C)CN1CC[C@H]1CCCC[NH2+]1 ZINC001235442226 979044165 /nfs/dbraw/zinc/04/41/65/979044165.db2.gz SNDYERFYWRVMGI-YNEHKIRRSA-N 2 0 225.380 1.201 20 0 BDADRP [NH3+]CCCC[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC001235673411 979111441 /nfs/dbraw/zinc/11/14/41/979111441.db2.gz GCKHDQANESNWGL-AWEZNQCLSA-N 2 0 234.343 1.879 20 0 BDADRP C[C@@H]([NH3+])CN1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC001235675371 979113860 /nfs/dbraw/zinc/11/38/60/979113860.db2.gz WUFRJQFFYKZZHX-OCCSQVGLSA-N 2 0 233.359 1.322 20 0 BDADRP CC(C)[NH+]1CCC(C[N@H+](C)CCO)CC1 ZINC001235675794 979114620 /nfs/dbraw/zinc/11/46/20/979114620.db2.gz MOHILTHGCSQQPP-UHFFFAOYSA-N 2 0 214.353 1.031 20 0 BDADRP [NH3+]CCCC[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC001235691635 979124426 /nfs/dbraw/zinc/12/44/26/979124426.db2.gz LNGNYXVUBAKNME-ZDUSSCGKSA-N 2 0 235.331 1.274 20 0 BDADRP [NH3+]CCCC[NH+]1CC(OCc2ccccc2)C1 ZINC001235694871 979125302 /nfs/dbraw/zinc/12/53/02/979125302.db2.gz WPSYITQMJWUIEX-UHFFFAOYSA-N 2 0 234.343 1.626 20 0 BDADRP [NH3+]CCCC[NH+]1CCC(c2ccccn2)CC1 ZINC001235714927 979127088 /nfs/dbraw/zinc/12/70/88/979127088.db2.gz MVBMPOMLMIWQTA-UHFFFAOYSA-N 2 0 233.359 2.000 20 0 BDADRP C[N@H+]1CC[C@H]2C[NH+](CC(C)(C)CO)C[C@H]2CC1 ZINC001277963506 979128572 /nfs/dbraw/zinc/12/85/72/979128572.db2.gz LTNSLWQMPCPMFZ-BETUJISGSA-N 2 0 240.391 1.279 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCc2nc(Cl)ccc2C1 ZINC001235735165 979139630 /nfs/dbraw/zinc/13/96/30/979139630.db2.gz KWYDSIOMIJBLOA-UHFFFAOYSA-N 2 0 239.750 1.832 20 0 BDADRP C[C@H]([NH3+])CN1CC[NH2+]C[C@H]1c1ccccc1F ZINC001235743300 979141112 /nfs/dbraw/zinc/14/11/12/979141112.db2.gz NALBOFDHSUKASB-GWCFXTLKSA-N 2 0 237.322 1.119 20 0 BDADRP CC[C@H]1CNCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001235768296 979143843 /nfs/dbraw/zinc/14/38/43/979143843.db2.gz FNGPUUVEVCPTGR-OLZOCXBDSA-N 2 0 225.380 1.060 20 0 BDADRP CC[C@@H]1C[NH2+]CCN1CC[C@@H]1CCCC[NH2+]1 ZINC001235769644 979146490 /nfs/dbraw/zinc/14/64/90/979146490.db2.gz SFLAYEMQKZNMKI-QWHCGFSZSA-N 2 0 225.380 1.202 20 0 BDADRP [NH3+]CCCC[NH+]1CCC(c2ncccn2)CC1 ZINC001235833182 979164910 /nfs/dbraw/zinc/16/49/10/979164910.db2.gz MLNSTYSJVCEQRJ-UHFFFAOYSA-N 2 0 234.347 1.395 20 0 BDADRP CC(C)c1ccc(CCN(CC[NH3+])CC[NH3+])cc1 ZINC001235875209 979174801 /nfs/dbraw/zinc/17/48/01/979174801.db2.gz CSPODYHBIAUUGO-UHFFFAOYSA-N 2 0 249.402 1.572 20 0 BDADRP [NH3+]CCN(CC[NH3+])Cc1cc(Cl)cs1 ZINC001235876710 979176867 /nfs/dbraw/zinc/17/68/67/979176867.db2.gz AWWWNNUBMYIDTQ-UHFFFAOYSA-N 2 0 233.768 1.121 20 0 BDADRP [NH3+]CCN(CC[NH3+])Cc1ccc2ccsc2c1 ZINC001235876905 979177327 /nfs/dbraw/zinc/17/73/27/979177327.db2.gz FQIPFDCMNCPYCW-UHFFFAOYSA-N 2 0 249.383 1.621 20 0 BDADRP CC(C)(C)c1ccc(CN(CC[NH3+])CC[NH3+])[nH]1 ZINC001235875260 979178709 /nfs/dbraw/zinc/17/87/09/979178709.db2.gz DDRJWECZZRGDFF-UHFFFAOYSA-N 2 0 238.379 1.032 20 0 BDADRP C[C@H]1CC[C@@H]([NH3+])CN1CC1(C)CC[NH2+]CC1 ZINC001235892424 979182972 /nfs/dbraw/zinc/18/29/72/979182972.db2.gz QJNHDAAQBZEBCT-NWDGAFQWSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@H]1CC[C@H]([NH3+])CN1Cc1cccc(N)c1 ZINC001235900896 979194013 /nfs/dbraw/zinc/19/40/13/979194013.db2.gz CPADVIWCKOYQJK-GWCFXTLKSA-N 2 0 219.332 1.580 20 0 BDADRP C[C@@H]1CC[C@@H]([NH3+])CN1Cc1ccc2c(c1)C[NH2+]C2 ZINC001235909160 979203982 /nfs/dbraw/zinc/20/39/82/979203982.db2.gz ZVBOEKSHJZYFBU-IAQYHMDHSA-N 2 0 245.370 1.601 20 0 BDADRP c1cc(CN2CC[NH2+]C3(CC3)C2)cc2c1C[NH2+]C2 ZINC001235936698 979214679 /nfs/dbraw/zinc/21/46/79/979214679.db2.gz UWWVIPWVSDKYFD-UHFFFAOYSA-N 2 0 243.354 1.228 20 0 BDADRP C[C@@H]([NH3+])CN1CCCC2(CC(F)C2)CC1 ZINC001235990812 979277846 /nfs/dbraw/zinc/27/78/46/979277846.db2.gz CZUFXHMXIIIHSS-VOMCLLRMSA-N 2 0 214.328 1.938 20 0 BDADRP C[NH+]1CCC(C)(CN2C[C@H]3CC[C@]3([NH3+])C2)CC1 ZINC001235980964 979259844 /nfs/dbraw/zinc/25/98/44/979259844.db2.gz SQOCATRWCNZMMI-OCCSQVGLSA-N 2 0 237.391 1.141 20 0 BDADRP [NH3+]Cc1ccc(CN2C[C@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235989677 979274735 /nfs/dbraw/zinc/27/47/35/979274735.db2.gz JFCWSSMYJXTZFA-KGLIPLIRSA-N 2 0 231.343 1.068 20 0 BDADRP [NH3+]CCCC[N@@H+]1CC[C@@H](COCC2CC2)C1 ZINC001236042533 979337632 /nfs/dbraw/zinc/33/76/32/979337632.db2.gz PQUTXONSVMJAGW-CYBMUJFWSA-N 2 0 226.364 1.474 20 0 BDADRP [NH3+]CCCC[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC001236040537 979340001 /nfs/dbraw/zinc/34/00/01/979340001.db2.gz FIGHKOQEWVDCPN-CYBMUJFWSA-N 2 0 235.331 1.274 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CN(Cc2ccc(C[NH3+])cc2)C1 ZINC001236052141 979345023 /nfs/dbraw/zinc/34/50/23/979345023.db2.gz ZXTWGZQRGUKMBM-BXUZGUMPSA-N 2 0 233.359 1.314 20 0 BDADRP [NH3+]CCCC[NH+]1CCC(n2cccn2)CC1 ZINC001236061321 979352865 /nfs/dbraw/zinc/35/28/65/979352865.db2.gz WSASVYZBDJNFFQ-UHFFFAOYSA-N 2 0 222.336 1.259 20 0 BDADRP COC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC[NH3+] ZINC001236091607 979380961 /nfs/dbraw/zinc/38/09/61/979380961.db2.gz XDFJCBBXHNCECW-FOSCPWQOSA-N 2 0 212.337 1.367 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](C)N1Cc1cccc(C[NH3+])c1 ZINC001236102292 979388825 /nfs/dbraw/zinc/38/88/25/979388825.db2.gz KFDDTUNPUGEOSL-VXGBXAGGSA-N 2 0 233.359 1.328 20 0 BDADRP C[C@H]([NH3+])CN(Cc1ccccc1)CC(C)(C)O ZINC001236111556 979395283 /nfs/dbraw/zinc/39/52/83/979395283.db2.gz KTKQMSREFWNASE-LBPRGKRZSA-N 2 0 236.359 1.607 20 0 BDADRP CN(Cc1ccc2c(c1)C[NH2+]C2)C[C@@H]1CCC[NH2+]1 ZINC001236122193 979399244 /nfs/dbraw/zinc/39/92/44/979399244.db2.gz MMKKAIALYMPLPS-HNNXBMFYSA-N 2 0 245.370 1.474 20 0 BDADRP Fc1ccc([C@@H]2C[NH2+]CCN2C[C@H]2CC[NH2+]2)cc1 ZINC001236131141 979402325 /nfs/dbraw/zinc/40/23/25/979402325.db2.gz VGZUDFWHYRLOBF-KGLIPLIRSA-N 2 0 249.333 1.134 20 0 BDADRP CC[N@H+](CCN)CC1CC2(C1)CC[NH2+]CC2 ZINC001236140943 979408816 /nfs/dbraw/zinc/40/88/16/979408816.db2.gz BGSABIOVHJWMDB-UHFFFAOYSA-N 2 0 225.380 1.047 20 0 BDADRP CCC[N@H+](CCCC[NH3+])C1CCOCC1 ZINC001236180859 979440447 /nfs/dbraw/zinc/44/04/47/979440447.db2.gz ATDJMVRSEFJZHM-UHFFFAOYSA-N 2 0 214.353 1.616 20 0 BDADRP CN(C[C@@H]1CCCC[NH2+]1)[C@]1(C)CCC[NH2+]C1 ZINC001236200605 979445975 /nfs/dbraw/zinc/44/59/75/979445975.db2.gz ILRQGLMUCGDZAT-QWHCGFSZSA-N 2 0 225.380 1.202 20 0 BDADRP CN(C[C@@H]([NH3+])c1ccccc1)C1(C)CC[NH2+]CC1 ZINC001236222097 979454727 /nfs/dbraw/zinc/45/47/27/979454727.db2.gz GCCZVHMEHHRRAG-CQSZACIVSA-N 2 0 247.386 1.760 20 0 BDADRP CN(C[C@@H]1CCCC[NH2+]1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236212477 979455198 /nfs/dbraw/zinc/45/51/98/979455198.db2.gz LXUKCERODHMOHN-XQQFMLRXSA-N 2 0 225.380 1.330 20 0 BDADRP C[N@H+](CCC1CC[NH2+]CC1)[C@H]1CCCC[C@@H]1N ZINC001236214205 979455311 /nfs/dbraw/zinc/45/53/11/979455311.db2.gz RHJBCBZXQNYHAU-KBPBESRZSA-N 2 0 239.407 1.578 20 0 BDADRP Nc1ccc2c(c1)C[N@@H+](CC1CC[NH2+]CC1)CC2 ZINC001236233870 979458444 /nfs/dbraw/zinc/45/84/44/979458444.db2.gz UMDZLCZLYCSZNI-UHFFFAOYSA-N 2 0 245.370 1.627 20 0 BDADRP C[N@H+](CCCCCO)C1(C)CC[NH2+]CC1 ZINC001236224659 979458525 /nfs/dbraw/zinc/45/85/25/979458525.db2.gz UVNMURKQVMNREQ-UHFFFAOYSA-N 2 0 214.353 1.223 20 0 BDADRP [NH3+]C[C@H]1CCCN1Cc1ccc2c(c1)C[NH2+]C2 ZINC001236251156 979470525 /nfs/dbraw/zinc/47/05/25/979470525.db2.gz PKJGIDYZPCUHHQ-CQSZACIVSA-N 2 0 231.343 1.213 20 0 BDADRP [NH3+]Cc1ccccc1NC(=O)C[C@@H]([NH3+])C1CC1 ZINC001341570775 979473833 /nfs/dbraw/zinc/47/38/33/979473833.db2.gz HCIAHZFNIQYUGZ-LLVKDONJSA-N 2 0 233.315 1.211 20 0 BDADRP C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ccccc1C[NH3+] ZINC001341671986 979519241 /nfs/dbraw/zinc/51/92/41/979519241.db2.gz WGRZSPYWILRYAT-RKDXNWHRSA-N 2 0 221.304 1.067 20 0 BDADRP Cc1n[nH]cc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236315561 979528713 /nfs/dbraw/zinc/52/87/13/979528713.db2.gz LHRJLUGWGLNSDP-TXEJJXNPSA-N 2 0 234.347 1.150 20 0 BDADRP CCCN(C[C@H]1CCCC[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC001236322637 979539283 /nfs/dbraw/zinc/53/92/83/979539283.db2.gz RMJIKDPMJBYXMV-CHWSQXEVSA-N 2 0 225.380 1.202 20 0 BDADRP CCN(C[C@@H]([NH3+])c1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC001236408247 979582508 /nfs/dbraw/zinc/58/25/08/979582508.db2.gz LNJIJUVZLIQKIY-UKRRQHHQSA-N 2 0 247.386 1.618 20 0 BDADRP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001236416697 979591492 /nfs/dbraw/zinc/59/14/92/979591492.db2.gz VVHIJUOUHWISHR-AGIUHOORSA-N 3 0 225.380 1.188 20 0 BDADRP [NH3+][C@H](CN1C[C@@H]2CC[C@H]1C[NH2+]2)c1ccccc1 ZINC001236423781 979596799 /nfs/dbraw/zinc/59/67/99/979596799.db2.gz FDKAZZMGPLLUHA-MELADBBJSA-N 2 0 231.343 1.123 20 0 BDADRP C[C@@]1(C[NH3+])CCCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC001206541516 979642669 /nfs/dbraw/zinc/64/26/69/979642669.db2.gz IFLYDCLYPCQZSA-KBPBESRZSA-N 2 0 239.407 1.437 20 0 BDADRP Cc1cnccc1O[C@H]1CC[N@H+](CCCC[NH3+])C1 ZINC001236665904 979687093 /nfs/dbraw/zinc/68/70/93/979687093.db2.gz XLVSROVMCUGPII-ZDUSSCGKSA-N 3 0 249.358 1.582 20 0 BDADRP CC(C)(C)C[N@H+](CCO)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236769522 979723263 /nfs/dbraw/zinc/72/32/63/979723263.db2.gz XGOVCNQSGOZTJU-HAQNSBGRSA-N 2 0 228.380 1.597 20 0 BDADRP C[N@@H+]1CCC[C@@H](CN2CCC[C@](C)([NH3+])CC2)C1 ZINC001205254867 979729282 /nfs/dbraw/zinc/72/92/82/979729282.db2.gz CYEKORMZQNZYEX-KGLIPLIRSA-N 2 0 239.407 1.532 20 0 BDADRP CCC[N@H+](CCCCCC[NH3+])C[C@@H]1CC[NH2+]C1 ZINC001236833909 979747084 /nfs/dbraw/zinc/74/70/84/979747084.db2.gz DHLWHRPVZUTZPS-CQSZACIVSA-N 3 0 241.423 1.827 20 0 BDADRP C[C@]1([NH3+])CCC[N@H+](C[C@@H]2CCCCO2)CC1 ZINC001205256925 979747409 /nfs/dbraw/zinc/74/74/09/979747409.db2.gz SHTMOVRJQBKJSF-STQMWFEESA-N 2 0 226.364 1.759 20 0 BDADRP C[C@@]1([NH3+])CCC[N@H+](C[C@H]2CCCCO2)CC1 ZINC001205256920 979749856 /nfs/dbraw/zinc/74/98/56/979749856.db2.gz SHTMOVRJQBKJSF-CHWSQXEVSA-N 2 0 226.364 1.759 20 0 BDADRP C[C@@H]([NH3+])[C@H](C)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC001342276401 979750620 /nfs/dbraw/zinc/75/06/20/979750620.db2.gz UTQOHNPXYANOAA-WDEREUQCSA-N 2 0 243.395 1.016 20 0 BDADRP C[C@]1([NH3+])CCC[N@H+](C[C@@H]2CCC=CO2)CC1 ZINC001205257429 979759651 /nfs/dbraw/zinc/75/96/51/979759651.db2.gz VMRKGEUVDZLJHN-STQMWFEESA-N 2 0 224.348 1.882 20 0 BDADRP C[C@H]([NH3+])CC(=O)N1C[C@H](CC[NH3+])c2ccccc21 ZINC001342297795 979761681 /nfs/dbraw/zinc/76/16/81/979761681.db2.gz ARSLWUWQZOLNQH-QWRGUYRKSA-N 2 0 247.342 1.203 20 0 BDADRP C[C@H]([NH3+])CC(=O)N1C[C@@H](CC[NH3+])c2ccccc21 ZINC001342297797 979761933 /nfs/dbraw/zinc/76/19/33/979761933.db2.gz ARSLWUWQZOLNQH-WDEREUQCSA-N 2 0 247.342 1.203 20 0 BDADRP C[C@H]([NH3+])CN(C)Cc1ccc2c(ccn2C)c1 ZINC001236894875 979784869 /nfs/dbraw/zinc/78/48/69/979784869.db2.gz FZYSQIUDGKLUCZ-NSHDSACASA-N 2 0 231.343 1.957 20 0 BDADRP [NH3+]C1CC(CC(=O)Nc2cccc3c2C[NH2+]C3)C1 ZINC001342399788 979789981 /nfs/dbraw/zinc/78/99/81/979789981.db2.gz WJLKOZZQIVOHFC-UHFFFAOYSA-N 2 0 245.326 1.356 20 0 BDADRP C[C@H]([NH3+])CN(C)Cc1cccc2c1CCN2 ZINC001236907567 979794696 /nfs/dbraw/zinc/79/46/96/979794696.db2.gz BHKRDWNQFGXRJX-JTQLQIEISA-N 2 0 219.332 1.434 20 0 BDADRP C[NH+](C)CCC[N@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001278049489 979813535 /nfs/dbraw/zinc/81/35/35/979813535.db2.gz LBDBXEARLJNTNW-OKILXGFUSA-N 3 0 239.407 1.212 20 0 BDADRP C[NH+](C)CCCN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC001278048645 979814060 /nfs/dbraw/zinc/81/40/60/979814060.db2.gz QEGVAYVITROLOG-CQSZACIVSA-N 2 0 239.407 1.356 20 0 BDADRP C1=C2[NH2+]CCN(C[C@H]3CCC[NH2+]3)[C@@H]2CCC1 ZINC001237217671 979849058 /nfs/dbraw/zinc/84/90/58/979849058.db2.gz CESJVXOCPSMRIF-DGCLKSJQSA-N 2 0 221.348 1.080 20 0 BDADRP C1=C2NCC[N@@H+](CC[C@@H]3CCC[NH2+]C3)[C@H]2CCC1 ZINC001237220998 979853323 /nfs/dbraw/zinc/85/33/23/979853323.db2.gz URQAAOVYKSKXFA-ZFWWWQNUSA-N 2 0 249.402 1.718 20 0 BDADRP C[C@@H]([NH3+])CN1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001237360295 979874285 /nfs/dbraw/zinc/87/42/85/979874285.db2.gz WWSMLGOYTWDNKV-GFCCVEGCSA-N 2 0 245.370 1.428 20 0 BDADRP C[C@]1([NH3+])CCCN(Cc2ccc(O)cn2)CC1 ZINC001205281157 979877969 /nfs/dbraw/zinc/87/79/69/979877969.db2.gz QKQIUPPKBCDIAV-ZDUSSCGKSA-N 2 0 235.331 1.491 20 0 BDADRP C([NH2+]C1CC[NH+](CC2CC2)CC1)[C@H]1CCOC1 ZINC000153116203 979879410 /nfs/dbraw/zinc/87/94/10/979879410.db2.gz GTJCYRSEHVGXTC-CYBMUJFWSA-N 2 0 238.375 1.487 20 0 BDADRP CC1(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)COC1 ZINC001237384317 979881082 /nfs/dbraw/zinc/88/10/82/979881082.db2.gz VRNGSRHYNJOGMC-NWDGAFQWSA-N 2 0 224.348 1.097 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC1(F)F ZINC001184135086 979946753 /nfs/dbraw/zinc/94/67/53/979946753.db2.gz KRBJJPMBRHQEBU-MVWJERBFSA-N 2 0 244.329 1.962 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]C[C@@H](C)OC ZINC001184417314 980082860 /nfs/dbraw/zinc/08/28/60/980082860.db2.gz AKKFSYPURKOMFG-NWDGAFQWSA-N 2 0 216.369 1.731 20 0 BDADRP C[NH+](C)C1CN(Cc2cccc3c[nH+]cn32)C1 ZINC001238104276 980152234 /nfs/dbraw/zinc/15/22/34/980152234.db2.gz TWDGQVUZRWLJHZ-UHFFFAOYSA-N 2 0 230.315 1.080 20 0 BDADRP COC(=O)CC[N@H+](C)Cc1cccc2c[nH+]cn21 ZINC001238110272 980160202 /nfs/dbraw/zinc/16/02/02/980160202.db2.gz MJPVIWCANKGSME-UHFFFAOYSA-N 2 0 247.298 1.329 20 0 BDADRP C[N@H+](Cc1cccc2c[nH+]cn21)[C@@H]1CCCOC1 ZINC001238112141 980164064 /nfs/dbraw/zinc/16/40/64/980164064.db2.gz BLAXYRKXHJOORK-CQSZACIVSA-N 2 0 245.326 1.945 20 0 BDADRP CC(C)([NH3+])CCC(=O)NC[C@H]1CCC[NH2+]CC1 ZINC001343642275 980176083 /nfs/dbraw/zinc/17/60/83/980176083.db2.gz WJMKAYKCDPYDHP-NSHDSACASA-N 2 0 241.379 1.010 20 0 BDADRP CC(C)(C[NH3+])CC(=O)NCc1ccc(C[NH3+])cc1 ZINC001343726174 980221712 /nfs/dbraw/zinc/22/17/12/980221712.db2.gz LESFHYNWGURMLB-UHFFFAOYSA-N 2 0 249.358 1.137 20 0 BDADRP Cc1cnc(C2=CCC[NH2+]CC2)c(C[NH3+])c1 ZINC001238937613 980374498 /nfs/dbraw/zinc/37/44/98/980374498.db2.gz YFCLDXKWADMSON-UHFFFAOYSA-N 2 0 217.316 1.616 20 0 BDADRP [NH3+]Cc1ccccc1C1=CCC[NH2+]CC1 ZINC001238945777 980384044 /nfs/dbraw/zinc/38/40/44/980384044.db2.gz DXJGVXJWLPKFCS-UHFFFAOYSA-N 2 0 202.301 1.912 20 0 BDADRP [NH3+][C@@H]1CC2(CC[NH2+]CC2)c2cc(F)ccc21 ZINC001239318231 980528363 /nfs/dbraw/zinc/52/83/63/980528363.db2.gz PEFDUBOWQUERKE-GFCCVEGCSA-N 2 0 220.291 1.850 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@](C)(CO)C2)CC[NH2+]1 ZINC001345100910 980546969 /nfs/dbraw/zinc/54/69/69/980546969.db2.gz VVRWOIDPGFLETD-MGPQQGTHSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@](C)(CO)C2)CC[NH2+]1 ZINC001345100911 980548093 /nfs/dbraw/zinc/54/80/93/980548093.db2.gz VVRWOIDPGFLETD-RDBSUJKOSA-N 2 0 240.391 1.469 20 0 BDADRP CCc1cc(C[NH2+]C2CCC(C[NH3+])CC2)[nH]n1 ZINC001345470187 980615196 /nfs/dbraw/zinc/61/51/96/980615196.db2.gz OPKVZVCNBJXVCV-UHFFFAOYSA-N 2 0 236.363 1.579 20 0 BDADRP c1cc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)ccn1 ZINC001239610577 980808008 /nfs/dbraw/zinc/80/80/08/980808008.db2.gz PGOZQJQPIDVOJU-UHFFFAOYSA-N 2 0 240.310 1.553 20 0 BDADRP C[C@H]1CC[N@H+](Cc2ccccn2)CC[C@@H]1C[NH3+] ZINC001205601759 981160040 /nfs/dbraw/zinc/16/00/40/981160040.db2.gz GEBQJEKLJJOSOJ-QWHCGFSZSA-N 2 0 233.359 1.888 20 0 BDADRP C[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205602412 981163485 /nfs/dbraw/zinc/16/34/85/981163485.db2.gz IWQZNPYRBHTPAE-LPWJVIDDSA-N 2 0 210.365 1.949 20 0 BDADRP C[C@H]1CC[N@H+](Cc2ccncc2)CC[C@H]1C[NH3+] ZINC001205604781 981182280 /nfs/dbraw/zinc/18/22/80/981182280.db2.gz WYHHFJJMHMZYPY-JSGCOSHPSA-N 2 0 233.359 1.888 20 0 BDADRP C[C@H]1CC[N@H+](Cc2ccc[nH]c2=O)CC[C@H]1C[NH3+] ZINC001205617740 981222388 /nfs/dbraw/zinc/22/23/88/981222388.db2.gz NAXGHAMGKYDXPY-RYUDHWBXSA-N 2 0 249.358 1.594 20 0 BDADRP C[C@H]1CC[N@H+](Cc2ccon2)CC[C@H]1C[NH3+] ZINC001205618292 981224942 /nfs/dbraw/zinc/22/49/42/981224942.db2.gz UGPFXTOIWXGJPC-QWRGUYRKSA-N 2 0 223.320 1.481 20 0 BDADRP C[C@H]1CC[N@H+](Cc2cccnn2)CC[C@H]1C[NH3+] ZINC001205626550 981275074 /nfs/dbraw/zinc/27/50/74/981275074.db2.gz HBXWLCWHWXEKPY-RYUDHWBXSA-N 2 0 234.347 1.283 20 0 BDADRP Cc1cc(C2=CC[NH2+]CC2)nc2c1C[NH2+]CC2 ZINC001240465568 981397429 /nfs/dbraw/zinc/39/74/29/981397429.db2.gz LWIODGMTENZXFG-UHFFFAOYSA-N 2 0 229.327 1.412 20 0 BDADRP CCn1cncc1C[NH+]1CCC(C[NH3+])CC1 ZINC000085184846 981454969 /nfs/dbraw/zinc/45/49/69/981454969.db2.gz OQEYHYXHWOZYPS-UHFFFAOYSA-N 2 0 222.336 1.074 20 0 BDADRP C[C@H]1CC[N@H+](Cc2c[nH]ccc2=O)CC[C@H]1C[NH3+] ZINC001205652256 981547528 /nfs/dbraw/zinc/54/75/28/981547528.db2.gz OSZUYEDZMWJYSN-RYUDHWBXSA-N 2 0 249.358 1.182 20 0 BDADRP O[C@@H]1C[NH2+]CC[C@@H]1[NH2+]CC1CCCCCC1 ZINC001580879968 981672387 /nfs/dbraw/zinc/67/23/87/981672387.db2.gz IHAMAGJFTFBQOG-QWHCGFSZSA-N 2 0 226.364 1.269 20 0 BDADRP O[C@@H](C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1)c1ccccc1 ZINC001580884566 981697693 /nfs/dbraw/zinc/69/76/93/981697693.db2.gz HREQYDVBBNWBFH-ILXRZTDVSA-N 2 0 246.354 1.261 20 0 BDADRP CN(CC(C)(C)[NH3+])C(=O)[C@H]([NH3+])C1CCCCC1 ZINC001350408483 981966742 /nfs/dbraw/zinc/96/67/42/981966742.db2.gz BMWRLKRCTYWVNV-LLVKDONJSA-N 2 0 241.379 1.090 20 0 BDADRP C[C@@H]1CC[C@H](CN)[N@H+](CCC23CC([NH3+])(C2)C3)C1 ZINC001205806624 982571675 /nfs/dbraw/zinc/57/16/75/982571675.db2.gz UYTXXUXTTPSFPS-IWMBGFJWSA-N 2 0 237.391 1.317 20 0 BDADRP C[C@@H]1CC[C@@H](CN)[N@H+](CCC2CC[NH2+]CC2)C1 ZINC001205807118 982573957 /nfs/dbraw/zinc/57/39/57/982573957.db2.gz YAVAFCARIQLJSA-OCCSQVGLSA-N 2 0 239.407 1.435 20 0 BDADRP COC1(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)CCC1 ZINC001352874605 982612871 /nfs/dbraw/zinc/61/28/71/982612871.db2.gz ANBLYCBXZHVBBS-ZDUSSCGKSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@@H]1CC[C@H](C[NH3+])N(Cc2ccc(C[NH3+])cc2)C1 ZINC001205832108 982686802 /nfs/dbraw/zinc/68/68/02/982686802.db2.gz ZMRLZEYZEIPNSF-IUODEOHRSA-N 2 0 247.386 1.705 20 0 BDADRP C[NH2+]CCCCC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC001353201549 982763928 /nfs/dbraw/zinc/76/39/28/982763928.db2.gz REGNBQHEHBLTJA-VXGBXAGGSA-N 2 0 241.379 1.010 20 0 BDADRP C[NH+](C)Cc1cccc(C2=CCC[N@H+](C)C2)n1 ZINC001241568573 982816918 /nfs/dbraw/zinc/81/69/18/982816918.db2.gz HRZUBDBARZRMKI-UHFFFAOYSA-N 2 0 231.343 1.862 20 0 BDADRP C[NH+](C)Cc1ccnc(C2=CCC[N@H+](C)C2)c1 ZINC001241568719 982817129 /nfs/dbraw/zinc/81/71/29/982817129.db2.gz WNKRDTAFAFWLNS-UHFFFAOYSA-N 2 0 231.343 1.862 20 0 BDADRP C[N@@H+]1CCC=C(c2ccnc(C[NH3+])c2)C1 ZINC001241570381 982819736 /nfs/dbraw/zinc/81/97/36/982819736.db2.gz HBIXWIDIFMXNJW-UHFFFAOYSA-N 2 0 203.289 1.259 20 0 BDADRP C[C@@H]([NH3+])c1ccc(-c2cnn(C3C[NH2+]C3)c2)cc1 ZINC001241611665 982848720 /nfs/dbraw/zinc/84/87/20/982848720.db2.gz BRVZMWZEEFIGFH-SNVBAGLBSA-N 2 0 242.326 1.714 20 0 BDADRP C[C@H]([NH3+])c1ccccc1-c1cnn(C2C[NH2+]C2)c1 ZINC001241612452 982849739 /nfs/dbraw/zinc/84/97/39/982849739.db2.gz VQOJKGKWYUHMJG-JTQLQIEISA-N 2 0 242.326 1.714 20 0 BDADRP CC[NH+](CC)CCCNc1nccnc1C[NH3+] ZINC001354053515 983126582 /nfs/dbraw/zinc/12/65/82/983126582.db2.gz RBZLSSUFEMTAHT-UHFFFAOYSA-N 2 0 237.351 1.079 20 0 BDADRP [NH3+]Cc1ccc(-c2ccc(C[NH3+])nc2)cc1 ZINC001241913852 983129726 /nfs/dbraw/zinc/12/97/26/983129726.db2.gz QZWHHNSSYAAEEY-UHFFFAOYSA-N 2 0 213.284 1.666 20 0 BDADRP [NH3+]Cc1ccc(-c2ccnc(C[NH3+])c2)cc1 ZINC001241914868 983134809 /nfs/dbraw/zinc/13/48/09/983134809.db2.gz IVHXTLBPMQSWRE-UHFFFAOYSA-N 2 0 213.284 1.666 20 0 BDADRP C[NH+](C)C1(CNc2nccnc2C[NH3+])CCCC1 ZINC001354070980 983136051 /nfs/dbraw/zinc/13/60/51/983136051.db2.gz QFXMNBUDWNTNGP-UHFFFAOYSA-N 2 0 249.362 1.222 20 0 BDADRP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]CCC[NH+]1CCCC1 ZINC001354204316 983191830 /nfs/dbraw/zinc/19/18/30/983191830.db2.gz JAFUUMHSIFDSSI-WDNDVIMCSA-N 2 0 240.391 1.733 20 0 BDADRP CCC[NH+]1C[C@@H]2C[NH+](CC(C)C)C[C@H]2C1 ZINC001201478456 983283127 /nfs/dbraw/zinc/28/31/27/983283127.db2.gz KOSUUMNBNGHQKO-CHWSQXEVSA-N 2 0 210.365 1.916 20 0 BDADRP CC[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001201572499 983336483 /nfs/dbraw/zinc/33/64/83/983336483.db2.gz LXTAZBAJYQXCKF-UHFFFAOYSA-N 2 0 240.391 1.831 20 0 BDADRP [NH3+][C@H]1CCCCN(CC[C@H]2CCCC[NH2+]2)C1 ZINC001205923377 983345204 /nfs/dbraw/zinc/34/52/04/983345204.db2.gz NLHOUZFXFOJFMO-QWHCGFSZSA-N 2 0 225.380 1.332 20 0 BDADRP CSCCC[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001201697024 983411754 /nfs/dbraw/zinc/41/17/54/983411754.db2.gz VXWSPHIKJSNCHT-UHFFFAOYSA-N 2 0 228.405 1.767 20 0 BDADRP [NH3+][C@H](Cc1ccccc1)CN1CCCC[C@@H]([NH3+])C1 ZINC001205925579 983423873 /nfs/dbraw/zinc/42/38/73/983423873.db2.gz WVEZPEMZUPXLSD-HUUCEWRRSA-N 2 0 247.386 1.370 20 0 BDADRP CC1(C)C[NH2+][C@H]1C(=O)Nc1ccccc1C[NH3+] ZINC001355719613 983536369 /nfs/dbraw/zinc/53/63/69/983536369.db2.gz WEZCTHMHHDHTQX-NSHDSACASA-N 2 0 233.315 1.082 20 0 BDADRP C[NH+](C)Cc1ccc(C[NH2+]CC(C)(C)O)cc1 ZINC001252365456 983747693 /nfs/dbraw/zinc/74/76/93/983747693.db2.gz VQFIDBZXJZJWFH-UHFFFAOYSA-N 2 0 236.359 1.609 20 0 BDADRP CC(C)C[C@](C)(C[NH3+])C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC001357668786 983752851 /nfs/dbraw/zinc/75/28/51/983752851.db2.gz SRXMRMQCDBTBPP-NQBHXWOUSA-N 2 0 243.395 1.240 20 0 BDADRP C[NH2+]C[C@@H](C)NC(=O)[C@H]([NH3+])C1CCCCCC1 ZINC001357888593 983801348 /nfs/dbraw/zinc/80/13/48/983801348.db2.gz FEGCRLLCJXESGH-ZYHUDNBSSA-N 2 0 241.379 1.008 20 0 BDADRP C[NH+]1CCC2(C[NH+](C[C@H]3CCOC3)C2)CC1 ZINC001202512725 983836788 /nfs/dbraw/zinc/83/67/88/983836788.db2.gz IKHVVDXSKDZNNE-GFCCVEGCSA-N 2 0 224.348 1.051 20 0 BDADRP O[C@H]1[C@H]([NH2+]CC2CC[NH2+]CC2)CCCC1(F)F ZINC001574440254 984114379 /nfs/dbraw/zinc/11/43/79/984114379.db2.gz SSPBDKQUYXQRFN-MNOVXSKESA-N 2 0 248.317 1.124 20 0 BDADRP C1C[C@H]2C[C@@H]([NH2+][C@H]3CCC[NH2+]CC3)[C@@H]1O2 ZINC001574801203 984118990 /nfs/dbraw/zinc/11/89/90/984118990.db2.gz OPPZYWNSAKWPPV-NNYUYHANSA-N 2 0 210.321 1.038 20 0 BDADRP CC[N@H+](C)C1CC[NH+](CC2CCOCC2)CC1 ZINC001202609872 984126432 /nfs/dbraw/zinc/12/64/32/984126432.db2.gz SFHZCDSOLZKASL-UHFFFAOYSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@H](Cc1ccsc1)[N@H+](C)C[C@H](O)CC[NH3+] ZINC001576064992 984141426 /nfs/dbraw/zinc/14/14/26/984141426.db2.gz ABIWLTZTADTGCW-ZYHUDNBSSA-N 2 0 242.388 1.321 20 0 BDADRP C[C@H]([NH3+])C[NH2+][C@H]1CCOCC12CCCC2 ZINC001576160126 984162320 /nfs/dbraw/zinc/16/23/20/984162320.db2.gz YMPNTXHGTKXJCN-QWRGUYRKSA-N 2 0 212.337 1.273 20 0 BDADRP C[C@@]1(C[NH2+][C@@H]2C[C@@H]3CC[C@H]2O3)CCC[NH2+]C1 ZINC001576526104 984172723 /nfs/dbraw/zinc/17/27/23/984172723.db2.gz NIHCOBIVIHUMCL-UMSGYPCISA-N 2 0 224.348 1.286 20 0 BDADRP CCC(CC)C[N@@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC001577069760 984187313 /nfs/dbraw/zinc/18/73/13/984187313.db2.gz SREKEIFXLBFVGI-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP CCCCC[C@@H](O)C[NH2+]CCC[NH+](C)C ZINC001253521163 984190687 /nfs/dbraw/zinc/19/06/87/984190687.db2.gz BIRKNYZMZNAAHF-GFCCVEGCSA-N 2 0 216.369 1.469 20 0 BDADRP CCCCC[C@H](O)C[NH2+]CCC[NH+](C)C ZINC001253521164 984190762 /nfs/dbraw/zinc/19/07/62/984190762.db2.gz BIRKNYZMZNAAHF-LBPRGKRZSA-N 2 0 216.369 1.469 20 0 BDADRP CCC[C@@H]1CCCC[C@@H]1[NH2+]CCOCC[NH3+] ZINC001577377754 984195231 /nfs/dbraw/zinc/19/52/31/984195231.db2.gz VNPKLRAQCWSVDL-OLZOCXBDSA-N 2 0 228.380 1.910 20 0 BDADRP CCCC[C@H](C)[C@@H](C)[NH2+][C@@H]1COC2(C[NH2+]C2)C1 ZINC001577388316 984195567 /nfs/dbraw/zinc/19/55/67/984195567.db2.gz PEHZSLVEYMEDCM-XQQFMLRXSA-N 2 0 240.391 1.922 20 0 BDADRP CCCC[C@@H](CC)[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC001577388299 984195874 /nfs/dbraw/zinc/19/58/74/984195874.db2.gz ODPSDEUWSJJRNF-IJLUTSLNSA-N 2 0 214.353 1.125 20 0 BDADRP CC[NH+](CC)[C@H](C)CNCC1(C[NH3+])CC1 ZINC001577697046 984201563 /nfs/dbraw/zinc/20/15/63/984201563.db2.gz AFGIICTUFRDHKG-LLVKDONJSA-N 2 0 213.369 1.045 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCC=CO2)CCC[C@H]1C[NH3+] ZINC001205984473 984217608 /nfs/dbraw/zinc/21/76/08/984217608.db2.gz SCSOIVVQJCEMIH-RDBSUJKOSA-N 2 0 238.375 1.986 20 0 BDADRP C/C=C(\NC=[NH2+])c1cccc(C[NH2+]C)c1 ZINC001242995289 984358890 /nfs/dbraw/zinc/35/88/90/984358890.db2.gz JXBYQMVKIHTYNJ-BASWHVEKSA-N 2 0 203.289 1.963 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+][C@H](CO)CC1CCCC1)C2 ZINC001580164420 984405776 /nfs/dbraw/zinc/40/57/76/984405776.db2.gz IGEHEVYYTDIUGB-RJZJGCCBSA-N 2 0 238.375 1.397 20 0 BDADRP [NH3+][C@H]1CC12CC([NH2+][C@@H](CO)CC1CCCC1)C2 ZINC001580164422 984410161 /nfs/dbraw/zinc/41/01/61/984410161.db2.gz IGEHEVYYTDIUGB-ZIHBUVQPSA-N 2 0 238.375 1.397 20 0 BDADRP [NH3+][C@H]1CC12CC([NH2+][C@H](CO)CC1CCCC1)C2 ZINC001580164410 984410384 /nfs/dbraw/zinc/41/03/84/984410384.db2.gz IGEHEVYYTDIUGB-AHPWVWPOSA-N 2 0 238.375 1.397 20 0 BDADRP C[NH2+][C@@]12CC[C@@]([NH2+]COCCOC)(C1)CCC2 ZINC001275045862 984445078 /nfs/dbraw/zinc/44/50/78/984445078.db2.gz STABJCVTAGNGEQ-QWHCGFSZSA-N 2 0 242.363 1.261 20 0 BDADRP CC[NH+]1CCC2(C[NH+](Cc3ccc[nH]3)C2)CC1 ZINC001275085060 984478464 /nfs/dbraw/zinc/47/84/64/984478464.db2.gz MYOPUSIQEVUNKB-UHFFFAOYSA-N 2 0 233.359 1.932 20 0 BDADRP CC[NH2+][C@@]12CC[C@@](NCC[NH+](C)C)(C1)CCC2 ZINC001275086158 984478785 /nfs/dbraw/zinc/47/87/85/984478785.db2.gz FQVXPHWSEGBYPA-UONOGXRCSA-N 2 0 239.407 1.593 20 0 BDADRP CCC[N@@H+]1CC[C@H]2[C@@H]1CCN2CCn1ccnc1 ZINC001275108459 984492298 /nfs/dbraw/zinc/49/22/98/984492298.db2.gz QDHCGJTVQFNPLC-KBPBESRZSA-N 2 0 248.374 1.442 20 0 BDADRP Nc1[nH+]ccn1Cc1ccccc1C1=CC[NH2+]C1 ZINC001243111209 984576636 /nfs/dbraw/zinc/57/66/36/984576636.db2.gz HWWUDAZPYUSNNP-UHFFFAOYSA-N 2 0 240.310 1.500 20 0 BDADRP [NH3+][C@@H]1CCN(Cc2ccc(C3=CC[NH2+]C3)cc2)C1 ZINC001243112162 984580645 /nfs/dbraw/zinc/58/06/45/984580645.db2.gz VBLHRCMWCQBLPF-OAHLLOKOSA-N 2 0 243.354 1.206 20 0 BDADRP C[NH+](C)/C=C/c1ccncc1C1=CC[NH2+]C1 ZINC001243116069 984584962 /nfs/dbraw/zinc/58/49/62/984584962.db2.gz QJCXCVYUMIADKR-VMPITWQZSA-N 2 0 215.300 1.601 20 0 BDADRP CC[NH+](CC)[C@H](C)CNC(=O)[C@](C)(CC)C[NH3+] ZINC001577697940 984637516 /nfs/dbraw/zinc/63/75/16/984637516.db2.gz XYIAVCYSIRKEOH-DGCLKSJQSA-N 2 0 243.395 1.208 20 0 BDADRP CC[NH+](CC)[C@H](C)CNC[C@H]([NH3+])CC(F)F ZINC001577697976 984639213 /nfs/dbraw/zinc/63/92/13/984639213.db2.gz ZZZZBYQTDOKRHV-NXEZZACHSA-N 2 0 237.338 1.289 20 0 BDADRP CCN1CCC[C@@H]([NH2+][C@H]2CC23CC[NH2+]CC3)C1 ZINC001577770153 984750892 /nfs/dbraw/zinc/75/08/92/984750892.db2.gz ARCKPILCONGJPZ-OLZOCXBDSA-N 2 0 237.391 1.202 20 0 BDADRP CC[NH2+]CC1CC[NH+](CC2=NOCC2)CC1 ZINC001577837300 984810182 /nfs/dbraw/zinc/81/01/82/984810182.db2.gz JDAHNJBDAQDFIP-UHFFFAOYSA-N 2 0 225.336 1.084 20 0 BDADRP CCOC(=O)[C@H](C)[C@@H](C)[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC001577908425 984820130 /nfs/dbraw/zinc/82/01/30/984820130.db2.gz ITQJEXVIHWOPQH-WISYIIOYSA-N 2 0 242.363 1.291 20 0 BDADRP CCOC(=O)C1(C)CC([NH2+][C@@H](C)C[C@H](C)[NH3+])C1 ZINC001577925244 984823376 /nfs/dbraw/zinc/82/33/76/984823376.db2.gz GOUDJGVJYAYFRR-QKIYJJFGSA-N 2 0 242.363 1.434 20 0 BDADRP CCO[C@@H](C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1)C1CC1 ZINC001578076003 984843517 /nfs/dbraw/zinc/84/35/17/984843517.db2.gz YBZBMLILEFLMFE-RDBSUJKOSA-N 2 0 238.375 1.343 20 0 BDADRP CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)C1C[NH2+]C1 ZINC001578151667 984858491 /nfs/dbraw/zinc/85/84/91/984858491.db2.gz ZFDAILGJDIBXPZ-YUSALJHKSA-N 2 0 212.337 1.142 20 0 BDADRP CCO[C@@]1(C)C[C@H]1[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC001578160826 984864965 /nfs/dbraw/zinc/86/49/65/984864965.db2.gz FBTJODMNPGHGCV-YFKTTZPYSA-N 2 0 212.337 1.413 20 0 BDADRP CC[C@H]1[NH2+]CC[C@@H]1[NH2+][C@H](C)[C@@H]1CCOC1 ZINC001578241729 984895202 /nfs/dbraw/zinc/89/52/02/984895202.db2.gz JHVGZAISZYSROL-KKOKHZNYSA-N 2 0 212.337 1.142 20 0 BDADRP CCc1nn(C)c(CC)c1CN[C@H]1C[C@@H]([NH3+])C1 ZINC001578298856 984960541 /nfs/dbraw/zinc/96/05/41/984960541.db2.gz GNNMJQFYDCYCCB-AOOOYVTPSA-N 2 0 236.363 1.124 20 0 BDADRP C[N@H+](C[C@H](O)C1CC1)C[C@H]1CCC[NH+](C)C1 ZINC000685985629 985029358 /nfs/dbraw/zinc/02/93/58/985029358.db2.gz WRGWHNMSGLRMIH-AAEUAGOBSA-N 2 0 226.364 1.031 20 0 BDADRP C[N@H+](C[C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578450339 985081547 /nfs/dbraw/zinc/08/15/47/985081547.db2.gz LMLCZYRUEMEPFK-DUMGWNBUSA-N 2 0 206.333 1.182 20 0 BDADRP C[N@H+](C[C@H]1C[C@]12CCOC2)CC1CC[NH2+]CC1 ZINC001578458721 985092032 /nfs/dbraw/zinc/09/20/32/985092032.db2.gz URWGOWBPRUOCCH-KGLIPLIRSA-N 2 0 238.375 1.344 20 0 BDADRP C[N@H+](C[C@@H]1C[C@]12CCOC2)CC1CC[NH2+]CC1 ZINC001578458720 985094389 /nfs/dbraw/zinc/09/43/89/985094389.db2.gz URWGOWBPRUOCCH-KBPBESRZSA-N 2 0 238.375 1.344 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)[C@H](C)O1 ZINC000686512775 985127477 /nfs/dbraw/zinc/12/74/77/985127477.db2.gz WOWPMNUABKOSRJ-RXGFPQBGSA-N 2 0 238.375 1.659 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@H]([NH3+])C3)[C@@H]2C1 ZINC001578521172 985143677 /nfs/dbraw/zinc/14/36/77/985143677.db2.gz MJGAKUBNPWHAFI-QNSTZXKLSA-N 3 0 237.391 1.186 20 0 BDADRP C[N@@H+]1CC[C@@H](N[C@@H]2CCCC[C@H]2[NH3+])CC1(C)C ZINC001578525145 985149020 /nfs/dbraw/zinc/14/90/20/985149020.db2.gz SBORPVFJLRABSD-JHJVBQTASA-N 2 0 239.407 1.719 20 0 BDADRP C[N@@H+]1CCC[C@H](NC[C@H]2CCCCC[NH2+]2)C1 ZINC001578528488 985151378 /nfs/dbraw/zinc/15/13/78/985151378.db2.gz IBFZXSBRAMSIMY-OLZOCXBDSA-N 2 0 225.380 1.202 20 0 BDADRP CN1CCC[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)C1 ZINC001578528007 985152370 /nfs/dbraw/zinc/15/23/70/985152370.db2.gz AVEITYPRRKITNB-GFCCVEGCSA-N 2 0 225.380 1.060 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC001578571354 985212064 /nfs/dbraw/zinc/21/20/64/985212064.db2.gz MUORNHVDFCSAOS-OUAUKWLOSA-N 2 0 200.326 1.142 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC001578627248 985244531 /nfs/dbraw/zinc/24/45/31/985244531.db2.gz MVHNKTNFGVMOJC-BBMNEWJDSA-N 2 0 238.375 1.245 20 0 BDADRP C[NH2+]C[C@H](O)C[N@@H+]1C[C@H](C)C[C@@H]1c1ccccc1 ZINC001578653700 985273319 /nfs/dbraw/zinc/27/33/19/985273319.db2.gz CFNSYNXCCFWOMY-VHDGCEQUSA-N 2 0 248.370 1.650 20 0 BDADRP CO[C@H]1CC[C@H](C)[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000687255866 985282046 /nfs/dbraw/zinc/28/20/46/985282046.db2.gz UEWPGYTXVMDBIE-JSGCOSHPSA-N 2 0 240.391 1.875 20 0 BDADRP C[NH2+]CCOCC[NH2+]Cc1ccc(C)c(F)c1 ZINC001578710080 985306507 /nfs/dbraw/zinc/30/65/07/985306507.db2.gz TZWHTCNLWMEDTN-UHFFFAOYSA-N 2 0 240.322 1.460 20 0 BDADRP C[NH2+]CCOCC[NH2+]Cc1ccc2c(c1)CCC2 ZINC001578710108 985309498 /nfs/dbraw/zinc/30/94/98/985309498.db2.gz VWGQEJFPBWDPMC-UHFFFAOYSA-N 2 0 248.370 1.501 20 0 BDADRP CNc1ccccc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC001578763091 985326835 /nfs/dbraw/zinc/32/68/35/985326835.db2.gz AZPWGXLLEUZAGB-LBPRGKRZSA-N 2 0 233.359 1.899 20 0 BDADRP COC(=O)[C@H](C[NH2+]C[C@H]1C[C@@H]([NH3+])C1)CC(C)C ZINC001578774646 985344279 /nfs/dbraw/zinc/34/42/79/985344279.db2.gz QGUPUNAXOWDYML-SDDRHHMPSA-N 2 0 242.363 1.149 20 0 BDADRP COC(=O)[C@H](C[NH2+]C1CC(C[NH3+])C1)CC(C)C ZINC001578774717 985344863 /nfs/dbraw/zinc/34/48/63/985344863.db2.gz RTVAQYQTYOWNTC-CXQJBGSLSA-N 2 0 242.363 1.149 20 0 BDADRP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC001578787969 985352111 /nfs/dbraw/zinc/35/21/11/985352111.db2.gz GQMQFNNAHBMESS-IRCOFANPSA-N 2 0 242.363 1.147 20 0 BDADRP COC(=O)CC[N@H+](CC(C)C)CC1(C[NH3+])CC1 ZINC001578805249 985376745 /nfs/dbraw/zinc/37/67/45/985376745.db2.gz SSHVPNHUJQICFN-UHFFFAOYSA-N 2 0 242.363 1.246 20 0 BDADRP COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC001578832788 985408075 /nfs/dbraw/zinc/40/80/75/985408075.db2.gz IKPGYRAPJJYTAN-YFKTTZPYSA-N 2 0 240.347 1.045 20 0 BDADRP COC(=O)[C@H]1CCCC[N@@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578847104 985428431 /nfs/dbraw/zinc/42/84/31/985428431.db2.gz LZFXCRHWDOYZDN-QJPTWQEYSA-N 2 0 240.347 1.141 20 0 BDADRP CO[C@@H](C)C[N@H+](C)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578899941 985474248 /nfs/dbraw/zinc/47/42/48/985474248.db2.gz AETQOWHRKZKYDW-GARJFASQSA-N 2 0 200.326 1.081 20 0 BDADRP CO[C@@H](C[N@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCCC1 ZINC001578901955 985488285 /nfs/dbraw/zinc/48/82/85/985488285.db2.gz WYOPFUMGJSZULZ-RFQIPJPRSA-N 2 0 238.375 1.341 20 0 BDADRP CO[C@H](C)C[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001578900940 985493206 /nfs/dbraw/zinc/49/32/06/985493206.db2.gz IGWPBZGCFWNECT-WISYIIOYSA-N 2 0 212.337 1.142 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@@H]2COC[C@@H]2C)CC1 ZINC000688051488 985529519 /nfs/dbraw/zinc/52/95/19/985529519.db2.gz ZJXKJOBACATZIS-WCQYABFASA-N 2 0 226.364 1.484 20 0 BDADRP COC1CC(CC[NH2+]C[C@H](C[NH3+])C(C)C)C1 ZINC001578932115 985535573 /nfs/dbraw/zinc/53/55/73/985535573.db2.gz JAAXRAKFLSEALD-CPCZMJQVSA-N 2 0 228.380 1.622 20 0 BDADRP CO[C@H]1CC[C@H]1[N@H+](C)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578937468 985543330 /nfs/dbraw/zinc/54/33/30/985543330.db2.gz JXISMOGLYNRYKA-QCNOEVLYSA-N 2 0 212.337 1.223 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+][C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC001578938013 985550672 /nfs/dbraw/zinc/55/06/72/985550672.db2.gz QPTOCBZQOABQAH-DGAVXFQQSA-N 2 0 238.375 1.818 20 0 BDADRP CO[C@H]1CC[C@H]([N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)C1 ZINC001578938634 985550966 /nfs/dbraw/zinc/55/09/66/985550966.db2.gz UCEVGOPEUOTFJA-VOAKCMCISA-N 2 0 224.348 1.095 20 0 BDADRP CO[C@H]1CC[C@@H]([N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)C1 ZINC001578938635 985553776 /nfs/dbraw/zinc/55/37/76/985553776.db2.gz UCEVGOPEUOTFJA-XQHKEYJVSA-N 2 0 224.348 1.095 20 0 BDADRP Cc1c(N)cc[nH+]c1/C=C/C1CC[NH2+]CC1 ZINC001243892137 985558511 /nfs/dbraw/zinc/55/85/11/985558511.db2.gz HBJWLXVXXORBNJ-NSCUHMNNSA-N 2 0 217.316 1.985 20 0 BDADRP C(=C/C1CC[NH2+]CC1)\c1ncnc2c1C[NH2+]CC2 ZINC001243891684 985558947 /nfs/dbraw/zinc/55/89/47/985558947.db2.gz FABXKGDTSATTRZ-OWOJBTEDSA-N 2 0 244.342 1.135 20 0 BDADRP COC[C@@H](C[N@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21)C(C)C ZINC001578961070 985588425 /nfs/dbraw/zinc/58/84/25/985588425.db2.gz GAZMRSSQWGNJDR-NDBYEHHHSA-N 2 0 226.364 1.055 20 0 BDADRP COC[C@@H]([NH2+]C[C@H]([NH3+])CC(F)F)C(C)C ZINC001578970602 985604629 /nfs/dbraw/zinc/60/46/29/985604629.db2.gz YFVYFJXVSFYIJV-RKDXNWHRSA-N 2 0 224.295 1.230 20 0 BDADRP COCC[C@@H]([NH3+])C[NH2+]C(C)(C)CSC ZINC001579000898 985622707 /nfs/dbraw/zinc/62/27/07/985622707.db2.gz COFBNCOYDPOYDX-SECBINFHSA-N 2 0 220.382 1.081 20 0 BDADRP COCC[C@H](C)C[NH2+]C1CC(CC[NH3+])C1 ZINC001578995093 985628755 /nfs/dbraw/zinc/62/87/55/985628755.db2.gz ONFXZSMNGFCDBL-UNXYVOJBSA-N 2 0 214.353 1.376 20 0 BDADRP C[NH+](C)C[C@H]1CCN(C[C@]2(C)CCC[NH2+]C2)C1 ZINC000688478810 985654965 /nfs/dbraw/zinc/65/49/65/985654965.db2.gz BMDVIBCUHIERJH-ZIAGYGMSSA-N 2 0 239.407 1.260 20 0 BDADRP CO[C@@]1(C)C[C@H]1[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC001579130311 985807002 /nfs/dbraw/zinc/80/70/02/985807002.db2.gz RQCORJKTNFTBSF-YFKTTZPYSA-N 2 0 212.337 1.142 20 0 BDADRP COc1cc(CC[NH2+]C[C@]2(C)CC[NH2+]C2)ccn1 ZINC001579150579 985817211 /nfs/dbraw/zinc/81/72/11/985817211.db2.gz ODSIYJNVEVYDIF-AWEZNQCLSA-N 2 0 249.358 1.222 20 0 BDADRP COC(=O)CC[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC001258355903 985837205 /nfs/dbraw/zinc/83/72/05/985837205.db2.gz LRXDFKYNJPPJNG-RYUDHWBXSA-N 2 0 242.363 1.402 20 0 BDADRP C[S@](=O)[C@@H]1CC[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC001579356274 985857921 /nfs/dbraw/zinc/85/79/21/985857921.db2.gz VJCMDKVIAFLWHP-LGSVPQMISA-N 2 0 244.404 1.018 20 0 BDADRP C[C@@H]([NH2+]C[C@@](C)(O)C[NH3+])C1CCCCCC1 ZINC001579414485 985885759 /nfs/dbraw/zinc/88/57/59/985885759.db2.gz GQUIAKFNOYGHJR-YPMHNXCESA-N 2 0 228.380 1.645 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001579454730 985950972 /nfs/dbraw/zinc/95/09/72/985950972.db2.gz YNIHFIVCFKDTDJ-YIYPIFLZSA-N 2 0 238.375 1.343 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@](C)(CO)c1ccccc1 ZINC001579459543 985954700 /nfs/dbraw/zinc/95/47/00/985954700.db2.gz HEADPOTUHXYFSC-IPYPFGDCSA-N 2 0 248.370 1.339 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@]12CCC[C@H]1OCC2 ZINC001579460970 985955602 /nfs/dbraw/zinc/95/56/02/985955602.db2.gz WIUAGTLZRDBUKI-XQHKEYJVSA-N 2 0 224.348 1.143 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C[C@H]1CCC=CO1 ZINC001579459773 985957716 /nfs/dbraw/zinc/95/77/16/985957716.db2.gz WVWFLYCBMFYPIG-GRYCIOLGSA-N 2 0 210.321 1.124 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1CCC=CO1 ZINC001579459774 985958592 /nfs/dbraw/zinc/95/85/92/985958592.db2.gz WVWFLYCBMFYPIG-WOPDTQHZSA-N 2 0 210.321 1.124 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CCOC2(CCC2)C1 ZINC001579467423 985966978 /nfs/dbraw/zinc/96/69/78/985966978.db2.gz DRVPNZVTSGKNRX-GRYCIOLGSA-N 2 0 224.348 1.286 20 0 BDADRP C[C@@]12C[NH2+]C[C@@H]1C[N@H+](CC[C@@H]1CCCO1)C2 ZINC001579473821 985981672 /nfs/dbraw/zinc/98/16/72/985981672.db2.gz ONVNHZIVFDLGBX-AGIUHOORSA-N 2 0 224.348 1.097 20 0 BDADRP C[C@H]1C[C@@H](O)C[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC001579495748 986025154 /nfs/dbraw/zinc/02/51/54/986025154.db2.gz FRNJZISHCCQITC-YNEHKIRRSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@H]1[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCSC1 ZINC001579504958 986041399 /nfs/dbraw/zinc/04/13/99/986041399.db2.gz AEBWOSGWSPOTNQ-UTLUCORTSA-N 2 0 200.351 1.080 20 0 BDADRP C[C@]12C[N@H+](C[C@H](O)CC[NH3+])C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001579509702 986060024 /nfs/dbraw/zinc/06/00/24/986060024.db2.gz DCGRTUURCSMQRL-MQLXINIDSA-N 2 0 238.375 1.064 20 0 BDADRP C[Si](C)(C)C[N@@H+]1C2CCC1(C[NH3+])CC2 ZINC001579509799 986063588 /nfs/dbraw/zinc/06/35/88/986063588.db2.gz IHGRCTDJQLKAMU-UHFFFAOYSA-N 2 0 212.413 1.820 20 0 BDADRP Cc1c[nH]c(=O)c(C[NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC001579544171 986072662 /nfs/dbraw/zinc/07/26/62/986072662.db2.gz QDXNRSDWPDPGPJ-VXGBXAGGSA-N 2 0 249.358 1.573 20 0 BDADRP Cc1cn(C)nc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001461606404 986095234 /nfs/dbraw/zinc/09/52/34/986095234.db2.gz KRNYKPKGCZLPLU-TXEJJXNPSA-N 2 0 236.363 1.158 20 0 BDADRP C[C@H](O)C(C)(C)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC001461798297 986155903 /nfs/dbraw/zinc/15/59/03/986155903.db2.gz XASUOSBZGPVXPJ-RYUDHWBXSA-N 2 0 242.407 1.856 20 0 BDADRP Cc1ccc(CC[NH2+]C2CC3(C[C@H]3[NH3+])C2)nc1 ZINC001579688538 986173663 /nfs/dbraw/zinc/17/36/63/986173663.db2.gz ZIDCNKSMDXWZMO-ROKHWSDSSA-N 2 0 231.343 1.402 20 0 BDADRP Cc1ccc(C[C@H](CO)[NH2+]C2CC([NH3+])C2)cc1C ZINC001579684423 986176419 /nfs/dbraw/zinc/17/64/19/986176419.db2.gz DWGWBASIMONKCB-YMAMQOFZSA-N 2 0 248.370 1.286 20 0 BDADRP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@](C)(O)C[NH3+])c1 ZINC001579671962 986177771 /nfs/dbraw/zinc/17/77/71/986177771.db2.gz UNJOBWFQYXIPHX-OCCSQVGLSA-N 2 0 236.359 1.664 20 0 BDADRP Cc1cccc(CC[NH2+]C2CC3(C[C@@H]3[NH3+])C2)n1 ZINC001579761198 986220402 /nfs/dbraw/zinc/22/04/02/986220402.db2.gz LLQKWQUBLNBDFC-MOKVOYLWSA-N 2 0 231.343 1.402 20 0 BDADRP Cc1cccc([C@H](C)[NH2+]C[C@](C)(O)C[NH3+])c1 ZINC001579777198 986220813 /nfs/dbraw/zinc/22/08/13/986220813.db2.gz XNLKVMRAVVBXET-WCQYABFASA-N 2 0 222.332 1.355 20 0 BDADRP Cc1nccn1CC[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC001579883478 986301666 /nfs/dbraw/zinc/30/16/66/986301666.db2.gz UUKGHNRLFFHAKO-VXGBXAGGSA-N 2 0 222.336 1.051 20 0 BDADRP Cc1nnc([C@@H](C)[N@H+](C)CC2CC[NH2+]CC2)o1 ZINC001579897547 986318368 /nfs/dbraw/zinc/31/83/68/986318368.db2.gz UFQJOKAWMKIYRZ-SECBINFHSA-N 2 0 238.335 1.370 20 0 BDADRP Cn1cc([C@@H]2C[C@H]2C[N@@H+]2CC[C@@H](CC[NH3+])C2)cn1 ZINC001579970177 986372392 /nfs/dbraw/zinc/37/23/92/986372392.db2.gz QVTRGHHVESFCFT-MBNYWOFBSA-N 2 0 248.374 1.194 20 0 BDADRP Cn1cc([C@@H]2C[C@H]2C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cn1 ZINC001579970139 986374734 /nfs/dbraw/zinc/37/47/34/986374734.db2.gz PLUHCDKSYGPOCJ-DOERSZECSA-N 2 0 248.374 1.383 20 0 BDADRP Cn1cc([C@@H]2C[C@H]2C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)cn1 ZINC001579970477 986375618 /nfs/dbraw/zinc/37/56/18/986375618.db2.gz XUGJOZTZUOHTEN-SQNXGDPESA-N 2 0 248.374 1.239 20 0 BDADRP Cn1ncc(C[NH3+])c1C[NH2+][C@@H]1C[C@@H]2CCC[C@@H]12 ZINC001580002556 986401876 /nfs/dbraw/zinc/40/18/76/986401876.db2.gz ZGQWLKHXIBJMQO-MVWJERBFSA-N 2 0 234.347 1.157 20 0 BDADRP FC1(F)[C@@H]2CC[N@H+](C[C@@H]3CC[NH2+]C3)C[C@@H]21 ZINC001580023739 986418664 /nfs/dbraw/zinc/41/86/64/986418664.db2.gz DDFDMNBBQKYTOK-BBBLOLIVSA-N 2 0 216.275 1.183 20 0 BDADRP CC[NH+]1CCC(C[NH2+]C[C@H]2C[C@H](O)C2)CC1 ZINC001462560980 986430208 /nfs/dbraw/zinc/43/02/08/986430208.db2.gz VFRZSHWKUSTLIJ-JOCQHMNTSA-N 2 0 226.364 1.079 20 0 BDADRP COC1(C[NH2+]C[C@@H]2C[NH+]3CCC2CC3)CCC1 ZINC001462632747 986471104 /nfs/dbraw/zinc/47/11/04/986471104.db2.gz FKMRJKPWTDGJDK-CYBMUJFWSA-N 2 0 238.375 1.487 20 0 BDADRP CC[C@@H](C)C[NH2+]C[C@H]1C[NH+]2CCC1CC2 ZINC001462638365 986479638 /nfs/dbraw/zinc/47/96/38/986479638.db2.gz YGGFNQSMYIDLGP-YPMHNXCESA-N 2 0 210.365 1.964 20 0 BDADRP FC1CC[NH+](C[C@H]2CCCC[NH2+]C2)CC1 ZINC000689421604 986588338 /nfs/dbraw/zinc/58/83/38/986588338.db2.gz LZFBYXRWNUAFGE-NSHDSACASA-N 2 0 214.328 1.810 20 0 BDADRP [NH3+][C@H](C[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C1CC1 ZINC001580133465 986601419 /nfs/dbraw/zinc/60/14/19/986601419.db2.gz ZKIVKSFUFKJIQD-PRSXHHODSA-N 2 0 236.359 1.127 20 0 BDADRP C[C@H]1C[C@H](C[NH+]2CCC(F)CC2)CC[NH2+]1 ZINC000689435799 986602700 /nfs/dbraw/zinc/60/27/00/986602700.db2.gz MFBWXVYRCGTAQB-WDEREUQCSA-N 2 0 214.328 1.808 20 0 BDADRP [NH3+]C1(CC[NH2+]C[C@H]2CCC=CO2)CCOCC1 ZINC001580144924 986619652 /nfs/dbraw/zinc/61/96/52/986619652.db2.gz MLLNFFYBJLMRGD-GFCCVEGCSA-N 2 0 240.347 1.167 20 0 BDADRP [NH3+][C@H]1CC12CC([NH2+]CC(O)(C1CC1)C1CC1)C2 ZINC001580164273 986635090 /nfs/dbraw/zinc/63/50/90/986635090.db2.gz GTVRVEKTOPYMTB-CPCZMJQVSA-N 2 0 236.359 1.007 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+][C@H](CO)CC1CCC1)C2 ZINC001580163828 986635739 /nfs/dbraw/zinc/63/57/39/986635739.db2.gz DEBIRNPOUXOJNX-GMKTYKIGSA-N 2 0 224.348 1.007 20 0 BDADRP [NH3+][C@H]1CC12CC([NH2+]C[C@@H]1COc3ccccc31)C2 ZINC001580165548 986638262 /nfs/dbraw/zinc/63/82/62/986638262.db2.gz MCIHXUPCDOOTQY-XJZOAQGMSA-N 2 0 244.338 1.632 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+]C[C@H]1COc3ccccc31)C2 ZINC001580165545 986638476 /nfs/dbraw/zinc/63/84/76/986638476.db2.gz MCIHXUPCDOOTQY-QSORXEQWSA-N 2 0 244.338 1.632 20 0 BDADRP [NH3+]C1CCC([NH2+][C@@H]2CCC3(C2)OCCO3)CC1 ZINC001580173285 986649079 /nfs/dbraw/zinc/64/90/79/986649079.db2.gz JOMKZDQKRKTTOA-HTAVTVPLSA-N 2 0 240.347 1.142 20 0 BDADRP C[C@@H]1CC[N@@H+]([C@H]2CCC[NH+](C)CC2)C[C@H]1O ZINC001254517061 986651914 /nfs/dbraw/zinc/65/19/14/986651914.db2.gz RTDCHAXKPOOWOS-FRRDWIJNSA-N 2 0 226.364 1.173 20 0 BDADRP [NH3+]CC1(C[NH2+]C[C@@H](O)CCc2ccccc2)CC1 ZINC001580243944 986698210 /nfs/dbraw/zinc/69/82/10/986698210.db2.gz NDYBTFGGXRHUHL-AWEZNQCLSA-N 2 0 248.370 1.309 20 0 BDADRP [NH3+]CC1(C[NH2+][C@@H]2Cc3ccccc3[C@H]2O)CCC1 ZINC001580243542 986698972 /nfs/dbraw/zinc/69/89/72/986698972.db2.gz KONBTKPPSNYWMF-ZIAGYGMSSA-N 2 0 246.354 1.363 20 0 BDADRP [NH3+]CC12CCC(CC1)[N@@H+]2CC1CCC(O)CC1 ZINC001580248188 986704160 /nfs/dbraw/zinc/70/41/60/986704160.db2.gz QBALGOIDETZXCZ-UHFFFAOYSA-N 2 0 238.375 1.493 20 0 BDADRP [NH3+]CC12CCC(CC1)[N@@H+]2C[C@@H]1C[C@]12CCOC2 ZINC001580248096 986704332 /nfs/dbraw/zinc/70/43/32/986704332.db2.gz GVHMHSFQKNJTRA-AHPWVWPOSA-N 2 0 236.359 1.369 20 0 BDADRP [NH3+]CC1CCC([NH2+]Cc2cnccn2)CC1 ZINC001580260330 986713953 /nfs/dbraw/zinc/71/39/53/986713953.db2.gz NSOOTEGJLNKXGI-UHFFFAOYSA-N 2 0 220.320 1.084 20 0 BDADRP [NH3+]CCCC[NH2+]C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254931363 986748717 /nfs/dbraw/zinc/74/87/17/986748717.db2.gz RDDIDMAEGMRLNW-NXEZZACHSA-N 2 0 210.321 1.073 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC1(O)CCSCC1 ZINC001580371924 986799290 /nfs/dbraw/zinc/79/92/90/986799290.db2.gz BYUXKVHZWVNWGO-GHMZBOCLSA-N 2 0 244.404 1.104 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+]Cc2cnc3n2CCC3)C1 ZINC001580389460 986815938 /nfs/dbraw/zinc/81/59/38/986815938.db2.gz HNFRZSPEZBDOFN-WDEREUQCSA-N 2 0 234.347 1.046 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+]C2(CO)CCCCC2)C1 ZINC001580389273 986817499 /nfs/dbraw/zinc/81/74/99/986817499.db2.gz GJWFVVDAJOVILA-NWDGAFQWSA-N 2 0 226.364 1.399 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001580421380 986840196 /nfs/dbraw/zinc/84/01/96/986840196.db2.gz HGPMXIKDTHJGOI-DEQVHRJGSA-N 2 0 238.375 1.376 20 0 BDADRP CC[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](CC)CC)C1 ZINC000384055688 986841223 /nfs/dbraw/zinc/84/12/23/986841223.db2.gz XIQQOIPWLIEJEG-KBPBESRZSA-N 2 0 242.407 1.811 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC001580430700 986847713 /nfs/dbraw/zinc/84/77/13/986847713.db2.gz VTGMMQFSHSQFNP-XSPKLOCKSA-N 2 0 238.253 1.176 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc3c2CCOC3)C1 ZINC001580431089 986851631 /nfs/dbraw/zinc/85/16/31/986851631.db2.gz BIFJVQMKZNEUNY-JOCQHMNTSA-N 2 0 232.327 1.339 20 0 BDADRP [NH3+]CCc1cccc(-c2ccncc2C[NH3+])c1 ZINC001245563016 986958652 /nfs/dbraw/zinc/95/86/52/986958652.db2.gz WDNXJESRTZFHPQ-UHFFFAOYSA-N 2 0 227.311 1.709 20 0 BDADRP C[N@H+]1C[C@H]2[C@H](C1)CCCN2[C@H]1CCC[NH+](C)C1 ZINC001255490817 986991062 /nfs/dbraw/zinc/99/10/62/986991062.db2.gz YIGHTGYVKSIBKE-IHRRRGAJSA-N 2 0 237.391 1.107 20 0 BDADRP C[C@@H](Cc1ccccn1)[NH2+]CCCC[NH3+] ZINC001256397554 987206937 /nfs/dbraw/zinc/20/69/37/987206937.db2.gz JXHNKUQQHRFTDD-NSHDSACASA-N 2 0 207.321 1.341 20 0 BDADRP [NH3+]C1(C[NH2+]C[C@H](O)c2ccccc2)CCCC1 ZINC001245977672 987247731 /nfs/dbraw/zinc/24/77/31/987247731.db2.gz ZFDZJYIAXCXANB-ZDUSSCGKSA-N 2 0 234.343 1.581 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+]C[C@@H](O)C(C)(C)C)C[NH2+]1 ZINC001245977096 987251184 /nfs/dbraw/zinc/25/11/84/987251184.db2.gz VJGQFQYRULRUFH-GRYCIOLGSA-N 2 0 228.380 1.371 20 0 BDADRP CCCCC[C@H](O)C[NH2+]C[C@H]1C[NH2+]CC[C@H]1C ZINC001245980249 987251789 /nfs/dbraw/zinc/25/17/89/987251789.db2.gz CCBVWPIBJXLYHZ-MCIONIFRSA-N 2 0 242.407 1.763 20 0 BDADRP CCCCC[C@@H](O)C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001245982544 987258823 /nfs/dbraw/zinc/25/88/23/987258823.db2.gz FWNXGWOTIPVJIZ-CHWSQXEVSA-N 2 0 228.380 1.517 20 0 BDADRP CC(C)(C)[C@@H](O)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC001245993548 987273511 /nfs/dbraw/zinc/27/35/11/987273511.db2.gz HVZGYUBUYOBFOW-AXFHLTTASA-N 2 0 214.353 1.253 20 0 BDADRP CCCC[C@@H](O)C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246022030 987311259 /nfs/dbraw/zinc/31/12/59/987311259.db2.gz PCKVBWHPJGMMAP-CHWSQXEVSA-N 2 0 246.370 1.690 20 0 BDADRP C[C@@]1([NH3+])CCC[N@H+](C[C@H](O)c2ccccc2)CC1 ZINC001246022923 987312467 /nfs/dbraw/zinc/31/24/67/987312467.db2.gz QYFVLABNFKUADZ-LSDHHAIUSA-N 2 0 248.370 1.923 20 0 BDADRP CCCC[C@@H](O)C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246025899 987323475 /nfs/dbraw/zinc/32/34/75/987323475.db2.gz ZVYORYVLUQYZCG-OLZOCXBDSA-N 2 0 228.380 1.741 20 0 BDADRP CC(C)[C@H](O)C[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246027706 987324427 /nfs/dbraw/zinc/32/44/27/987324427.db2.gz YGXAODZFSLFGDB-OLZOCXBDSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H]1CN(C[C@@H]2CCCC[NH2+]C2)C[C@H](C)O1 ZINC000697052757 987346036 /nfs/dbraw/zinc/34/60/36/987346036.db2.gz QKLAJFSSKXNBER-FRRDWIJNSA-N 2 0 226.364 1.485 20 0 BDADRP COCCC[N@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000697052283 987346364 /nfs/dbraw/zinc/34/63/64/987346364.db2.gz MUFVIQNMEUHYHC-LBPRGKRZSA-N 2 0 214.353 1.344 20 0 BDADRP COCC[N@H+](CC(C)C)C[C@H]1CCCC[NH2+]C1 ZINC000697088519 987351875 /nfs/dbraw/zinc/35/18/75/987351875.db2.gz USMWLUNYJPKJLX-AWEZNQCLSA-N 2 0 242.407 1.981 20 0 BDADRP C1[NH2+]CC12C[C@@H]([NH2+]C1CCCCCC1)CCN2 ZINC001246065893 987352594 /nfs/dbraw/zinc/35/25/94/987352594.db2.gz OSTGZKYPLZZOPW-ZDUSSCGKSA-N 2 0 237.391 1.393 20 0 BDADRP CC[C@@H]1C[C@@H](NCC[NH2+]C)C[C@H](CC)[NH2+]1 ZINC001246072102 987361211 /nfs/dbraw/zinc/36/12/11/987361211.db2.gz FDRAAKFVIKZBGE-ZSBIGDGJSA-N 2 0 213.369 1.105 20 0 BDADRP CC1(C)C[C@H]([NH2+]CC2([NH3+])CCCC2)CO1 ZINC001246074053 987364980 /nfs/dbraw/zinc/36/49/80/987364980.db2.gz BQSJGTJYPOSTGV-JTQLQIEISA-N 2 0 212.337 1.415 20 0 BDADRP [NH3+]C[C@H](N[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC001246074262 987365750 /nfs/dbraw/zinc/36/57/50/987365750.db2.gz BXPIMKJKBVCRKJ-OLZOCXBDSA-N 2 0 219.332 1.028 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NCC1([NH3+])CCCC1)C2 ZINC001246077391 987366566 /nfs/dbraw/zinc/36/65/66/987366566.db2.gz WATUDMBEZONBSN-XYYAHUGASA-N 2 0 237.391 1.473 20 0 BDADRP C[C@H](CC[NH2+]CC1=CCCOC1)[NH+](C)C ZINC000697827173 987367164 /nfs/dbraw/zinc/36/71/64/987367164.db2.gz UHRDJDYIMAKNIP-LLVKDONJSA-N 2 0 212.337 1.263 20 0 BDADRP CCCC[C@@H](C)[NH2+]C[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001246079113 987370553 /nfs/dbraw/zinc/37/05/53/987370553.db2.gz CMDWAHUVPCADPP-GRYCIOLGSA-N 2 0 232.343 1.217 20 0 BDADRP CCCCC[C@H](C)[NH2+][C@@H](C)CN1CC[NH2+]CC1 ZINC001246081206 987375880 /nfs/dbraw/zinc/37/58/80/987375880.db2.gz RLXSLKPKZAHVJV-KBPBESRZSA-N 2 0 241.423 1.839 20 0 BDADRP C[C@@H]1CC[C@@H](CN[C@H]2CCC[NH2+]CC2)C[NH2+]1 ZINC001246091893 987398509 /nfs/dbraw/zinc/39/85/09/987398509.db2.gz HSURGKWRUQLCOY-UPJWGTAASA-N 2 0 225.380 1.106 20 0 BDADRP CC1(C)C[C@@H]([NH2+][C@H]2CCCC[NH2+]C2)CCO1 ZINC001246092627 987400913 /nfs/dbraw/zinc/40/09/13/987400913.db2.gz SZHSHRZGDHNBEH-RYUDHWBXSA-N 2 0 226.364 1.676 20 0 BDADRP CC1(C)C[C@H]([NH2+][C@@H]2CCCC[NH2+]C2)CCO1 ZINC001246092629 987401457 /nfs/dbraw/zinc/40/14/57/987401457.db2.gz SZHSHRZGDHNBEH-VXGBXAGGSA-N 2 0 226.364 1.676 20 0 BDADRP C[C@H]1C[NH2+]C[C@@H](C[NH2+]C2CCOCC2)C1 ZINC001246096701 987407175 /nfs/dbraw/zinc/40/71/75/987407175.db2.gz FRIRANIBEQHOEG-MNOVXSKESA-N 2 0 212.337 1.001 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCCOC2)C[NH2+]1 ZINC001246096879 987407432 /nfs/dbraw/zinc/40/74/32/987407432.db2.gz NGVXFUOHZUNREP-GRYCIOLGSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H]1CC[C@H](CN[C@H]2CC[NH2+][C@@H](C)C2)C[NH2+]1 ZINC001246096846 987407553 /nfs/dbraw/zinc/40/75/53/987407553.db2.gz NAYSBABUHDRKKL-VOAKCMCISA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](C[NH2+]C2CCOCC2)C1 ZINC001246096702 987408086 /nfs/dbraw/zinc/40/80/86/987408086.db2.gz FRIRANIBEQHOEG-QWRGUYRKSA-N 2 0 212.337 1.001 20 0 BDADRP C[C@@H]1CC[C@@H](N[C@@]2(C)CCC[NH2+]CC2)C[NH2+]1 ZINC001246100097 987418605 /nfs/dbraw/zinc/41/86/05/987418605.db2.gz LJRSEDWPAKTZOH-UPJWGTAASA-N 2 0 225.380 1.249 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCCOCC2)[NH2+]C1 ZINC001246104108 987429911 /nfs/dbraw/zinc/42/99/11/987429911.db2.gz JHYMXCWWMMDJIS-UPJWGTAASA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@H]2COC(C)(C)C2)C[NH2+]1 ZINC001246104023 987430486 /nfs/dbraw/zinc/43/04/86/987430486.db2.gz ZOCLKUIIJNOBOH-GRYCIOLGSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+][C@H]2CCO[C@@H](C)C2)[NH2+]C1 ZINC001246105102 987434144 /nfs/dbraw/zinc/43/41/44/987434144.db2.gz LUJHOSBJLDABJA-VOAKCMCISA-N 2 0 226.364 1.532 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246108046 987437161 /nfs/dbraw/zinc/43/71/61/987437161.db2.gz BVLBOLLZIJCMSK-LSGALXMHSA-N 2 0 237.391 1.105 20 0 BDADRP CC[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH2+][C@H]2C)C1 ZINC001246108858 987440602 /nfs/dbraw/zinc/44/06/02/987440602.db2.gz IRIRGFBVGAHBQE-AVGNSLFASA-N 2 0 225.380 1.058 20 0 BDADRP CC[C@H]1CC(N[C@H]2C[NH2+]C[C@@H]2C)C[C@H](CC)[NH2+]1 ZINC001246110030 987441283 /nfs/dbraw/zinc/44/12/83/987441283.db2.gz PVCYMQAPFNNPQQ-MNXVOIDGSA-N 2 0 239.407 1.493 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1CN[C@@H]1CCC[N@H+](C)CC1 ZINC001246108504 987442253 /nfs/dbraw/zinc/44/22/53/987442253.db2.gz IIYZXXUWRZSSRD-BFHYXJOUSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H](Cc1ccncc1)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1C ZINC001246109815 987443484 /nfs/dbraw/zinc/44/34/84/987443484.db2.gz HESQCJQECNRKQK-GUTXKFCHSA-N 2 0 247.386 1.848 20 0 BDADRP CC[C@@H]1C[C@H](NC[C@H]2CCC[NH2+][C@@H]2C)CC[NH2+]1 ZINC001246111409 987445947 /nfs/dbraw/zinc/44/59/47/987445947.db2.gz OAWZHWAXKCYILH-AAVRWANBSA-N 3 0 239.407 1.495 20 0 BDADRP CCCC[C@H]1C[C@H](N[C@@H]2C[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC001246113574 987451214 /nfs/dbraw/zinc/45/12/14/987451214.db2.gz DDRBFCDBDCVHSA-IGQOVBAYSA-N 2 0 239.407 1.495 20 0 BDADRP CC[C@@H]1CC(N[C@H]2CC[NH2+]C2)C[C@@H](CC)[NH2+]1 ZINC001246115924 987456164 /nfs/dbraw/zinc/45/61/64/987456164.db2.gz KTYFULUQXHWDBW-UTUOFQBUSA-N 2 0 225.380 1.247 20 0 BDADRP C[C@@H]1C[C@H](N2C[C@@H]([NH3+])Cc3ccccc32)CC[NH2+]1 ZINC001246116297 987460089 /nfs/dbraw/zinc/46/00/89/987460089.db2.gz YLWODFHCPQUURI-KWCYVHTRSA-N 2 0 245.370 1.517 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246116557 987460808 /nfs/dbraw/zinc/46/08/08/987460808.db2.gz GDAKTIYHVGRHJE-PEBLQZBPSA-N 2 0 237.391 1.247 20 0 BDADRP C[C@H]1C[NH2+]C[C@@H]1N[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246118092 987462641 /nfs/dbraw/zinc/46/26/41/987462641.db2.gz VJOOIJKFINVKAI-ZDEQEGDKSA-N 2 0 239.407 1.351 20 0 BDADRP CCCC[C@H](CC(C)C)[NH2+]CCC1(O)C[NH2+]C1 ZINC001246120254 987469940 /nfs/dbraw/zinc/46/99/40/987469940.db2.gz ZRSQOCCITFBMRW-CYBMUJFWSA-N 2 0 242.407 1.905 20 0 BDADRP CC[C@H]1CC(NC2(C)C[NH2+]C2)C[C@H](CC)[NH2+]1 ZINC001246125823 987473739 /nfs/dbraw/zinc/47/37/39/987473739.db2.gz HJDCNGFODNLRJE-QWRGUYRKSA-N 2 0 225.380 1.247 20 0 BDADRP C1CC12C[NH2+]C[C@@H]2N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246127839 987476448 /nfs/dbraw/zinc/47/64/48/987476448.db2.gz CHYYIHBFRQEVNJ-RYUDHWBXSA-N 2 0 235.375 1.003 20 0 BDADRP CC[C@@H]1CC(N[C@H]2CCC[NH2+]C2)C[C@@H](CC)[NH2+]1 ZINC001246130839 987481275 /nfs/dbraw/zinc/48/12/75/987481275.db2.gz WLHSWKXOTLWWCX-UPJWGTAASA-N 2 0 239.407 1.637 20 0 BDADRP CC(C)CCC[C@@H](C)[NH2+][C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001246139686 987498262 /nfs/dbraw/zinc/49/82/62/987498262.db2.gz VQOAZEABGWYCGE-AAVRWANBSA-N 2 0 240.391 1.778 20 0 BDADRP C[NH2+]CC[C@@H](C)[NH2+]C[C@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001246147404 987501707 /nfs/dbraw/zinc/50/17/07/987501707.db2.gz MWJMHXDUXDVPLH-SYQHCUMBSA-N 3 0 239.407 1.210 20 0 BDADRP CC[C@H](C)[C@@H](CO)[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246150629 987509343 /nfs/dbraw/zinc/50/93/43/987509343.db2.gz ANBSPIWTOCEYRE-NNYUYHANSA-N 2 0 214.353 1.124 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C[C@H](O)c2ccccc2)CC[NH2+]1 ZINC001246153816 987519019 /nfs/dbraw/zinc/51/90/19/987519019.db2.gz NYHQFCWDUBEMPY-UBHSHLNASA-N 2 0 234.343 1.450 20 0 BDADRP C([NH2+][C@@H]1CCCC[NH2+]C1)[C@H]1CC12CC[NH2+]CC2 ZINC001246185671 987560834 /nfs/dbraw/zinc/56/08/34/987560834.db2.gz VHWWHQJLTNJYIE-CHWSQXEVSA-N 3 0 237.391 1.108 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246188191 987570850 /nfs/dbraw/zinc/57/08/50/987570850.db2.gz IBKCHVWZMNCZRA-AULYBMBSSA-N 3 0 237.391 1.378 20 0 BDADRP [NH3+]Cc1cnc2c(ccn2C2CC[NH2+]CC2)c1 ZINC001246189007 987574637 /nfs/dbraw/zinc/57/46/37/987574637.db2.gz LAZTVLYNUSZWHN-UHFFFAOYSA-N 2 0 230.315 1.420 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N[C@@]2(C)CCC[NH2+]C2)CC[NH2+]1 ZINC001246191167 987580417 /nfs/dbraw/zinc/58/04/17/987580417.db2.gz UZBGYFHMQKEDSL-IHRRRGAJSA-N 2 0 239.407 1.495 20 0 BDADRP CC1(C)C[C@@H](NC[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246197741 987590216 /nfs/dbraw/zinc/59/02/16/987590216.db2.gz LMCZQUXWPJNGEN-NEPJUHHUSA-N 2 0 225.380 1.106 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CC[NH2+]1 ZINC001246207995 987602827 /nfs/dbraw/zinc/60/28/27/987602827.db2.gz ZTXZGTVCQIOMQC-SYQHCUMBSA-N 2 0 239.407 1.482 20 0 BDADRP CC1(C)C[C@@H](N[C@@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246207107 987603569 /nfs/dbraw/zinc/60/35/69/987603569.db2.gz UTNQZVSFIOQHJU-UTUOFQBUSA-N 3 0 225.380 1.377 20 0 BDADRP CC[C@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)CCO1 ZINC001246217212 987613254 /nfs/dbraw/zinc/61/32/54/987613254.db2.gz YJNZRADZDVWPMA-AVGNSLFASA-N 2 0 226.364 1.533 20 0 BDADRP CC(C)[C@@H]1C[C@H](N[C@H]2C[NH2+]CC[C@H]2F)CC[NH2+]1 ZINC001246217443 987614967 /nfs/dbraw/zinc/61/49/67/987614967.db2.gz JZJRQLMLBRJPPO-NDBYEHHHSA-N 2 0 243.370 1.053 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CO)CC2)CC[NH2+]1 ZINC001246222146 987619977 /nfs/dbraw/zinc/61/99/77/987619977.db2.gz LHVKJBGWSDHBDT-FVCCEPFGSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@H]1CC[C@H](N(C)C2CCC([NH3+])CC2)C[NH2+]1 ZINC001246231819 987630184 /nfs/dbraw/zinc/63/01/84/987630184.db2.gz HJZCSSDMJKUFFH-WTIISPKJSA-N 2 0 225.380 1.329 20 0 BDADRP CCOC(CC[NH2+][C@H]1CC[NH2+][C@H](C)C1)OCC ZINC001246234895 987631781 /nfs/dbraw/zinc/63/17/81/987631781.db2.gz WKPVPCANQPUYTO-NEPJUHHUSA-N 2 0 244.379 1.506 20 0 BDADRP NC(=[NH2+])N(c1ccccc1)C1CC[NH2+]CC1 ZINC001246238853 987638593 /nfs/dbraw/zinc/63/85/93/987638593.db2.gz WRTJAQJOGRQIJN-UHFFFAOYSA-N 2 0 218.304 1.138 20 0 BDADRP CCCCCC[C@@H](CC)N[C@H]1C[NH2+]C[C@H]1O ZINC001246241229 987641657 /nfs/dbraw/zinc/64/16/57/987641657.db2.gz VIJQNHTUMYCFET-FRRDWIJNSA-N 2 0 228.380 1.658 20 0 BDADRP CC[C@H](C[C@@H](C)CC)N[C@H]1C[NH2+]C[C@@H]1OC ZINC001246241313 987642386 /nfs/dbraw/zinc/64/23/86/987642386.db2.gz WPWQITIMVKVHNZ-RNJOBUHISA-N 2 0 228.380 1.778 20 0 BDADRP C[C@@H]1C[C@@H](NCC[C@@H]2CCCC[NH2+]2)C[C@H](C)[NH2+]1 ZINC001246241964 987645644 /nfs/dbraw/zinc/64/56/44/987645644.db2.gz DHRPWRDOVPYMNW-CRWXNKLISA-N 2 0 239.407 1.637 20 0 BDADRP C(C[C@H]1CCCC[NH2+]1)N[C@H]1CCCC[NH2+]C1 ZINC001246242857 987646483 /nfs/dbraw/zinc/64/64/83/987646483.db2.gz HKXLJFXSKDOGKT-OLZOCXBDSA-N 2 0 225.380 1.250 20 0 BDADRP Cc1ccnc(CC[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC001246255130 987651381 /nfs/dbraw/zinc/65/13/81/987651381.db2.gz KJCJQBDDQBBLTP-GXTWGEPZSA-N 2 0 233.359 1.663 20 0 BDADRP [NH3+][C@@H]1CCN([C@H]2CCC[NH2+]C2)c2ccccc21 ZINC001246259569 987655185 /nfs/dbraw/zinc/65/51/85/987655185.db2.gz BCYYBIVXJDILIV-WCQYABFASA-N 2 0 231.343 1.649 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]C[Si](C)(C)C)CN1 ZINC001246270941 987667514 /nfs/dbraw/zinc/66/75/14/987667514.db2.gz XBLMFHQQIBAREY-NXEZZACHSA-N 2 0 200.402 1.594 20 0 BDADRP CCC[NH2+]CC[NH2+][C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246269830 987667563 /nfs/dbraw/zinc/66/75/63/987667563.db2.gz LLJFTNVBBTWYOM-ZIAGYGMSSA-N 3 0 239.407 1.498 20 0 BDADRP CCNCC[NH2+][C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246274645 987669500 /nfs/dbraw/zinc/66/95/00/987669500.db2.gz YUMVPKSWZIBOFI-CHWSQXEVSA-N 2 0 225.380 1.108 20 0 BDADRP C[NH2+]CC[C@@H](C)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC001246277436 987671964 /nfs/dbraw/zinc/67/19/64/987671964.db2.gz JEHQGEAHYMMWCV-IUODEOHRSA-N 2 0 247.386 1.289 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCN(C)CC[NH3+])CC(C)(C)C1 ZINC001246283317 987679862 /nfs/dbraw/zinc/67/98/62/987679862.db2.gz HKNLNKIAGCFIST-STQMWFEESA-N 2 0 241.423 1.681 20 0 BDADRP [NH3+][C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC001246286898 987680517 /nfs/dbraw/zinc/68/05/17/987680517.db2.gz FCDTUNMGCBSXJN-IZGVIRRGSA-N 2 0 245.370 1.559 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]C3CCCC3)[C@H]2C1 ZINC001474301167 987682171 /nfs/dbraw/zinc/68/21/71/987682171.db2.gz GKZRGZZBTOPVPV-DRZSPHRISA-N 2 0 208.349 1.859 20 0 BDADRP C[C@H](Cc1ccccn1)[NH2+]CC[C@H](C)[NH3+] ZINC001246304284 987701701 /nfs/dbraw/zinc/70/17/01/987701701.db2.gz LEOXQXSGZBAULD-WDEREUQCSA-N 2 0 207.321 1.340 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]CC[C@H](C)[NH3+])CCO1 ZINC001246302706 987702025 /nfs/dbraw/zinc/70/20/25/987702025.db2.gz ADYUMBYCWZMZBG-HBNTYKKESA-N 2 0 200.326 1.271 20 0 BDADRP CCCC[C@H]1C[C@@H](N[C@H]2CCC[C@H]2[NH3+])CC[NH2+]1 ZINC001246305281 987705127 /nfs/dbraw/zinc/70/51/27/987705127.db2.gz MRIXLSDMSSVFSG-FQUUOJAGSA-N 2 0 239.407 1.767 20 0 BDADRP CC[C@@H]1CC(NCC[C@@H](C)[NH3+])C[C@@H](CC)[NH2+]1 ZINC001246306655 987705303 /nfs/dbraw/zinc/70/53/03/987705303.db2.gz RHFBROUPAIWLTA-IJLUTSLNSA-N 2 0 227.396 1.623 20 0 BDADRP CCCC[C@@H]1C[C@@H](N[C@H]2CCC[C@H]2[NH3+])CC[NH2+]1 ZINC001246305282 987705692 /nfs/dbraw/zinc/70/56/92/987705692.db2.gz MRIXLSDMSSVFSG-RQJABVFESA-N 2 0 239.407 1.767 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246310952 987711074 /nfs/dbraw/zinc/71/10/74/987711074.db2.gz AWHUNVMVHMBYFU-RWMBFGLXSA-N 3 0 225.380 1.236 20 0 BDADRP CC[C@@H]([NH3+])CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001246310973 987711213 /nfs/dbraw/zinc/71/12/13/987711213.db2.gz BJDBRTZAECGEGB-FVCCEPFGSA-N 2 0 225.380 1.329 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@@H]1Cc2cccc(F)c2C1 ZINC001246311412 987711682 /nfs/dbraw/zinc/71/16/82/987711682.db2.gz CJXICFCCZURZEH-GHMZBOCLSA-N 2 0 222.307 1.620 20 0 BDADRP CCCC[C@@H]1C[C@H](NC[C@H]([NH3+])CC)CC[NH2+]1 ZINC001246312067 987712112 /nfs/dbraw/zinc/71/21/12/987712112.db2.gz FKEUQDPEUXQHOB-JHJVBQTASA-N 2 0 227.396 1.624 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1Cc2ccc(OC)cc2C1 ZINC001246312692 987715604 /nfs/dbraw/zinc/71/56/04/987715604.db2.gz GYGTZZAIGQNBNU-QWHCGFSZSA-N 2 0 234.343 1.489 20 0 BDADRP CC[C@H]([NH3+])C[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246314020 987717172 /nfs/dbraw/zinc/71/71/72/987717172.db2.gz MWFXSGNMWXCFED-HSBZDZAISA-N 3 0 239.407 1.626 20 0 BDADRP CC[C@H](C[NH3+])N[C@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246317503 987723155 /nfs/dbraw/zinc/72/31/55/987723155.db2.gz MFTKROFMRXLCJF-XQHKEYJVSA-N 2 0 227.396 1.623 20 0 BDADRP CC(C)[C@H]1C[C@@H](N[C@H]2CCC[NH2+][C@@H]2C)CC[NH2+]1 ZINC001246322584 987728294 /nfs/dbraw/zinc/72/82/94/987728294.db2.gz BBFHFFXUEFWZJC-ZOBORPQBSA-N 2 0 239.407 1.493 20 0 BDADRP c1ccc([C@H]2[NH2+]CCC[C@@H]2N[C@H]2CC[NH2+]C2)cc1 ZINC001246323720 987728987 /nfs/dbraw/zinc/72/89/87/987728987.db2.gz DWIOJPKTIDJRQB-SOUVJXGZSA-N 2 0 245.370 1.431 20 0 BDADRP C[C@@H]1C[C@@H](n2cnc3cccc(C[NH3+])c32)CC[NH2+]1 ZINC001246324667 987732684 /nfs/dbraw/zinc/73/26/84/987732684.db2.gz YZXTXZJCAMIESS-PWSUYJOCSA-N 2 0 244.342 1.808 20 0 BDADRP CC[C@@H]1C[C@H](NC[C@@H](C)C[NH3+])C[C@H](CC)[NH2+]1 ZINC001246328774 987735853 /nfs/dbraw/zinc/73/58/53/987735853.db2.gz SGZUTAOYKUWEDD-WUHRBBMRSA-N 2 0 227.396 1.480 20 0 BDADRP CC1(C)CC[NH2+]C[C@H]1N[C@H]1CCCC[NH2+]C1 ZINC001246333574 987741060 /nfs/dbraw/zinc/74/10/60/987741060.db2.gz VUKIFEMVKVQKQZ-NWDGAFQWSA-N 2 0 225.380 1.106 20 0 BDADRP C1[C@@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C12CCCC2 ZINC001246334710 987741605 /nfs/dbraw/zinc/74/16/05/987741605.db2.gz PIJZAPYXRVTXHI-NWDGAFQWSA-N 2 0 235.375 1.003 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](N[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246360697 987766765 /nfs/dbraw/zinc/76/67/65/987766765.db2.gz IBIQNHJPSCHCFG-AVGNSLFASA-N 2 0 225.380 1.199 20 0 BDADRP C[C@@H]1C[C@H](Nc2cccc(CC[NH3+])c2)CC[NH2+]1 ZINC001246362986 987766812 /nfs/dbraw/zinc/76/68/12/987766812.db2.gz JSFJPFYUWZJYNT-BXUZGUMPSA-N 2 0 233.359 1.740 20 0 BDADRP CC(C)C[N@@H+]1CC[C@H](N[C@H]2CCC[NH2+]C2)C1 ZINC001246361340 987767187 /nfs/dbraw/zinc/76/71/87/987767187.db2.gz LCBTZPWVMIDGOH-STQMWFEESA-N 2 0 225.380 1.058 20 0 BDADRP CC(C)C[N@@H+]1CC[C@H](N[C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246362150 987767379 /nfs/dbraw/zinc/76/73/79/987767379.db2.gz NLZFYKMUXHLQQK-IHRRRGAJSA-N 2 0 239.407 1.447 20 0 BDADRP CC(C)(C)C[N@@H+]1CC[C@H](N[C@@H]2CCC[NH2+]C2)C1 ZINC001246359894 987768422 /nfs/dbraw/zinc/76/84/22/987768422.db2.gz DKIDIXBXQUBQEV-OLZOCXBDSA-N 2 0 239.407 1.448 20 0 BDADRP C1C[NH2+]C[C@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC001246358946 987768917 /nfs/dbraw/zinc/76/89/17/987768917.db2.gz RSNPPPVWIQCOTA-YVECIDJPSA-N 2 0 223.364 1.001 20 0 BDADRP C[NH+](C)[C@H]1CC[C@H]([NH2+][C@H]2CCCNC2)CC1 ZINC001246365192 987771282 /nfs/dbraw/zinc/77/12/82/987771282.db2.gz DKMGUXNYRYURIF-AVGNSLFASA-N 2 0 225.380 1.201 20 0 BDADRP CCC1([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CCC1 ZINC001246388094 987779129 /nfs/dbraw/zinc/77/91/29/987779129.db2.gz SERJLDVVWRESDL-NSHDSACASA-N 2 0 223.364 1.003 20 0 BDADRP C1=C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC001246408297 987788465 /nfs/dbraw/zinc/78/84/65/987788465.db2.gz QQFPWQNNVIZVNP-FKJOKYEKSA-N 2 0 206.333 1.968 20 0 BDADRP CC[C@H](CC(C)C)[NH2+]CCCC[C@H]([NH3+])C(N)=O ZINC001246416853 987789784 /nfs/dbraw/zinc/78/97/84/987789784.db2.gz NMOFXRDAWGQEQV-NEPJUHHUSA-N 2 0 243.395 1.384 20 0 BDADRP CC1(C)CC[C@@H]([NH2+]CCCC[C@H]([NH3+])C(N)=O)C1 ZINC001246416779 987791188 /nfs/dbraw/zinc/79/11/88/987791188.db2.gz LUMUXKZVHYQRCY-MNOVXSKESA-N 2 0 241.379 1.138 20 0 BDADRP CC[C@@H]1CC(NCC[NH2+]C(C)C)C[C@@H](CC)[NH2+]1 ZINC001246451891 987795023 /nfs/dbraw/zinc/79/50/23/987795023.db2.gz IDBHAKAWIBTBNK-CHWSQXEVSA-N 2 0 241.423 1.883 20 0 BDADRP CCC1(C[NH2+][C@@H]2CCCC[NH2+]C2)CC[NH2+]CC1 ZINC001246421827 987796542 /nfs/dbraw/zinc/79/65/42/987796542.db2.gz IRHHVNUXSIGLPS-CYBMUJFWSA-N 3 0 239.407 1.498 20 0 BDADRP Clc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC13C[NH2+]C3)C2 ZINC001246447902 987805442 /nfs/dbraw/zinc/80/54/42/987805442.db2.gz XNMMGARKVMXWKA-CHWSQXEVSA-N 2 0 248.757 1.759 20 0 BDADRP CC1(C)CCC[C@@H]([NH2+][C@H]2CC23C[NH2+]C3)C1 ZINC001246448480 987807185 /nfs/dbraw/zinc/80/71/85/987807185.db2.gz YUIWRLJOLUWKOQ-MNOVXSKESA-N 2 0 208.349 1.907 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCCC[NH2+]C2)C1 ZINC001246450424 987808532 /nfs/dbraw/zinc/80/85/32/987808532.db2.gz QWDRIOMWAWBWCP-HZSPNIEDSA-N 3 0 239.407 1.483 20 0 BDADRP CC(C)OCC[C@H](C)[NH2+]CCCNCCC[NH3+] ZINC001246454957 987810128 /nfs/dbraw/zinc/81/01/28/987810128.db2.gz VJUBEEPRYXWMCT-ZDUSSCGKSA-N 2 0 245.411 1.108 20 0 BDADRP CCC[C@@]1(CN[C@@H]2CC[NH2+][C@@H](CC)C2)CC[NH2+]1 ZINC001246454583 987810674 /nfs/dbraw/zinc/81/06/74/987810674.db2.gz CLFACPLKSMXXLN-MJBXVCDLSA-N 2 0 239.407 1.639 20 0 BDADRP C1=CO[C@H](C[NH2+]C[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001474735460 987813525 /nfs/dbraw/zinc/81/35/25/987813525.db2.gz PMKXLMDTNRQCTH-KBPBESRZSA-N 2 0 236.359 1.611 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH+]3CCC2CC3)[C@@H](C)O1 ZINC001474736038 987814191 /nfs/dbraw/zinc/81/41/91/987814191.db2.gz YQMKWEJSKAODTP-OXHZDVMGSA-N 2 0 238.375 1.484 20 0 BDADRP CC[C@H]1C[C@@H](NC[C@]2(CC)CCC[NH2+]2)CC[NH2+]1 ZINC001246458587 987815651 /nfs/dbraw/zinc/81/56/51/987815651.db2.gz ZUNLPTIWDHPKEL-IHRRRGAJSA-N 2 0 239.407 1.639 20 0 BDADRP CCC[C@@]1(CN[C@@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC001246459879 987817435 /nfs/dbraw/zinc/81/74/35/987817435.db2.gz HRICQDZANGEIRQ-OLZOCXBDSA-N 2 0 225.380 1.250 20 0 BDADRP C[NH2+][C@H]1C[C@H]([NH2+][C@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246459352 987817600 /nfs/dbraw/zinc/81/76/00/987817600.db2.gz FXTBPYYMBAUWPP-XDQVBPFNSA-N 3 0 237.391 1.249 20 0 BDADRP CC[C@H]1CC(N[C@H]2C[C@H]([NH2+]C)C2)C[C@H](CC)[NH2+]1 ZINC001246462984 987824128 /nfs/dbraw/zinc/82/41/28/987824128.db2.gz UEYJACIKKFGOKB-MNXVOIDGSA-N 3 0 239.407 1.636 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]Cc2cccc3c2CCN3)CC[NH2+]1 ZINC001246470252 987829677 /nfs/dbraw/zinc/82/96/77/987829677.db2.gz LFLHKWNRIBSKJL-AAEUAGOBSA-N 2 0 245.370 1.885 20 0 BDADRP CC[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)CCO1 ZINC001246474707 987831411 /nfs/dbraw/zinc/83/14/11/987831411.db2.gz ANIZLJPMDXPFJH-CYDGBPFRSA-N 2 0 244.354 1.481 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)CCO1 ZINC001246474712 987832855 /nfs/dbraw/zinc/83/28/55/987832855.db2.gz ANIZLJPMDXPFJH-LOWDOPEQSA-N 2 0 244.354 1.481 20 0 BDADRP CCOCC[C@@H](C)[NH2+]C[C@@H]1CC[NH2+]C[C@@H]1F ZINC001246476168 987834663 /nfs/dbraw/zinc/83/46/63/987834663.db2.gz KJFYHYWJWARRHZ-WOPDTQHZSA-N 2 0 232.343 1.339 20 0 BDADRP CC1(C)C[C@H]([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)CO1 ZINC001246477358 987836023 /nfs/dbraw/zinc/83/60/23/987836023.db2.gz ONBLGFKNULMVHT-DCAQKATOSA-N 2 0 230.327 1.091 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(C[NH3+])cc2)CC[NH2+]1 ZINC001246482708 987841705 /nfs/dbraw/zinc/84/17/05/987841705.db2.gz IHSPDFSRKVRREO-DOMZBBRYSA-N 3 0 247.386 1.418 20 0 BDADRP C[NH2+][C@H]1C[C@@H]([NH2+][C@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246495376 987851248 /nfs/dbraw/zinc/85/12/48/987851248.db2.gz JHFGTWPZAPNJEN-RWMBFGLXSA-N 3 0 237.391 1.249 20 0 BDADRP CCCC[C@@H]1C[C@H](N[C@H]2C[C@@H]([NH2+]C)C2)CC[NH2+]1 ZINC001246498819 987853097 /nfs/dbraw/zinc/85/30/97/987853097.db2.gz YXKLNAGWAAYGQZ-SYQHCUMBSA-N 2 0 239.407 1.637 20 0 BDADRP C[C@H]1CC[C@@H]([NH2+]C2(C3CC[NH2+]CC3)CC2)CN1 ZINC001246501709 987855825 /nfs/dbraw/zinc/85/58/25/987855825.db2.gz CCYAZBQQDHXSKY-WCQYABFASA-N 2 0 237.391 1.249 20 0 BDADRP CC[C@@H]1C[C@H](N[C@@H]2C[NH2+]C[C@H](C)C2)CC[NH2+]1 ZINC001246500569 987855952 /nfs/dbraw/zinc/85/59/52/987855952.db2.gz XIKVMDSCUXSRMH-LPWJVIDDSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCOc2ccncc2)CC[NH2+]1 ZINC001246502869 987856870 /nfs/dbraw/zinc/85/68/70/987856870.db2.gz GMOKJRHPQDQONO-RYUDHWBXSA-N 2 0 235.331 1.191 20 0 BDADRP C[C@@H]1C[C@@H](N[C@H](C2CCC2)C2C[NH2+]C2)CC[NH2+]1 ZINC001246513319 987861644 /nfs/dbraw/zinc/86/16/44/987861644.db2.gz COMUAJFBBCBSOJ-DDTOSNHZSA-N 2 0 237.391 1.105 20 0 BDADRP C[NH2+]C1CCC([NH2+][C@H](CN)c2ccccc2)CC1 ZINC001246508275 987862043 /nfs/dbraw/zinc/86/20/43/987862043.db2.gz UAEQDUFBGXQWIX-YMAMQOFZSA-N 2 0 247.386 1.807 20 0 BDADRP C[C@@H]1CC[C@H](n2ccnc2CCC[NH3+])C[NH2+]1 ZINC001246523284 987871468 /nfs/dbraw/zinc/87/14/68/987871468.db2.gz GFKKUFRSVXWZGY-MNOVXSKESA-N 2 0 222.336 1.087 20 0 BDADRP CCCC[C@H]1C[C@@H](N2CC[NH2+]CC2)CC[NH2+]1 ZINC001246522782 987872305 /nfs/dbraw/zinc/87/23/05/987872305.db2.gz BZESUTQFLKUMRY-STQMWFEESA-N 2 0 225.380 1.202 20 0 BDADRP C[C@H]1CC[C@H](n2ccnc2CCC[NH3+])C[NH2+]1 ZINC001246523285 987873238 /nfs/dbraw/zinc/87/32/38/987873238.db2.gz GFKKUFRSVXWZGY-QWRGUYRKSA-N 2 0 222.336 1.087 20 0 BDADRP CC[C@@H](C)OCC[C@@H](C)N1CCC[NH2+]CC1 ZINC001246524363 987875067 /nfs/dbraw/zinc/87/50/67/987875067.db2.gz ITDBGDFKXKRRJR-CHWSQXEVSA-N 2 0 228.380 1.875 20 0 BDADRP COC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246526124 987879107 /nfs/dbraw/zinc/87/91/07/987879107.db2.gz MEXMFPNYMREQLD-GRYCIOLGSA-N 2 0 240.347 1.012 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[C@](C)([NH3+])C1)C2 ZINC001246531409 987886757 /nfs/dbraw/zinc/88/67/57/987886757.db2.gz QSVNKGMKCFNPEU-DGAVXFQQSA-N 2 0 237.391 1.425 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[C@@](C)([NH3+])C1)C2 ZINC001246531410 987887007 /nfs/dbraw/zinc/88/70/07/987887007.db2.gz QSVNKGMKCFNPEU-XJFOESAGSA-N 2 0 237.391 1.425 20 0 BDADRP CCC[N@H+]([C@H](C)CC)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246532409 987889634 /nfs/dbraw/zinc/88/96/34/987889634.db2.gz ZTQREOMDHCNION-OLZOCXBDSA-N 2 0 239.407 1.591 20 0 BDADRP CC[C@@H]1C[C@H](N2CCC[C@@](C)([NH3+])C2)CC[NH2+]1 ZINC001246538654 987897176 /nfs/dbraw/zinc/89/71/76/987897176.db2.gz IKZRVUGSTVSMNC-JHJVBQTASA-N 2 0 225.380 1.330 20 0 BDADRP CSCC[C@@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC001246537261 987897449 /nfs/dbraw/zinc/89/74/49/987897449.db2.gz HFZUNSQUPYERHV-SNVBAGLBSA-N 2 0 216.394 1.799 20 0 BDADRP CC(C)OCC[C@@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC001246538445 987898819 /nfs/dbraw/zinc/89/88/19/987898819.db2.gz OVPUEDZCLXPDQF-GFCCVEGCSA-N 2 0 228.380 1.861 20 0 BDADRP [NH3+][C@H]1CCCN([C@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC001246539952 987903804 /nfs/dbraw/zinc/90/38/04/987903804.db2.gz JBYGNDFUGJQPSW-STQMWFEESA-N 2 0 237.391 1.474 20 0 BDADRP [NH3+][C@@H]1CCCN([C@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC001246539946 987904948 /nfs/dbraw/zinc/90/49/48/987904948.db2.gz JBYGNDFUGJQPSW-OLZOCXBDSA-N 2 0 237.391 1.474 20 0 BDADRP C[C@H](Cc1ccncc1)[NH+]1CCC(C[NH3+])CC1 ZINC001246540054 987905026 /nfs/dbraw/zinc/90/50/26/987905026.db2.gz URMAVLVFDXFUQS-GFCCVEGCSA-N 2 0 233.359 1.683 20 0 BDADRP CCOCC[C@@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC001246541470 987907976 /nfs/dbraw/zinc/90/79/76/987907976.db2.gz YXGXXRRLTOVLLZ-LLVKDONJSA-N 2 0 214.353 1.472 20 0 BDADRP CCOCC[C@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC001246541471 987912065 /nfs/dbraw/zinc/91/20/65/987912065.db2.gz YXGXXRRLTOVLLZ-NSHDSACASA-N 2 0 214.353 1.472 20 0 BDADRP C[C@H]1C[N@@H+]([C@@H]2C[C@@H]3[C@H](C2)C3(C)C)C[C@H]1C[NH3+] ZINC001246541017 987912722 /nfs/dbraw/zinc/91/27/22/987912722.db2.gz LKDDVCNUKTUBGH-FPYNETTCSA-N 2 0 222.376 1.948 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCN1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246544596 987918251 /nfs/dbraw/zinc/91/82/51/987918251.db2.gz RISNVJHQZXBAFQ-UJPOAAIJSA-N 2 0 223.364 1.081 20 0 BDADRP CCCC[C@H](C)[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246544209 987918737 /nfs/dbraw/zinc/91/87/37/987918737.db2.gz PMPFLUVEYDFWBS-QWHCGFSZSA-N 2 0 228.380 1.741 20 0 BDADRP CC[C@@H]1CC[C@H]([N@@H+]2CCC[C@](O)(C[NH3+])CC2)C1 ZINC001246547167 987925584 /nfs/dbraw/zinc/92/55/84/987925584.db2.gz BQGMDOVXGOWCOB-HZSPNIEDSA-N 2 0 240.391 1.741 20 0 BDADRP C[N@@H+]1CCC[C@@H](N2CCC[C@](C)([NH3+])CC2)CC1 ZINC001246546837 987931951 /nfs/dbraw/zinc/93/19/51/987931951.db2.gz ATXGFRVJFFJRQU-KGLIPLIRSA-N 2 0 239.407 1.674 20 0 BDADRP C[C@@]1([NH3+])CCCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246547943 987934841 /nfs/dbraw/zinc/93/48/41/987934841.db2.gz DKHKXOGJPVOBOT-QNMSZWNNSA-N 2 0 237.391 1.473 20 0 BDADRP C[C@@]1([NH3+])CCCN([C@H]2CCC[NH2+]CC2)CC1 ZINC001246551031 987945838 /nfs/dbraw/zinc/94/58/38/987945838.db2.gz JYDQTPGYGOOANH-QWHCGFSZSA-N 2 0 225.380 1.332 20 0 BDADRP C[C@@H]1CCN([C@@H]2CC[NH2+]C(C)(C)C2)C[C@H]1C[NH3+] ZINC001246550922 987947991 /nfs/dbraw/zinc/94/79/91/987947991.db2.gz KYAMTXCVUVNEKK-JHJVBQTASA-N 3 0 239.407 1.434 20 0 BDADRP C[NH2+]C[C@@H]1CCCN([C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC001246551955 987950723 /nfs/dbraw/zinc/95/07/23/987950723.db2.gz SSYCWFCMIGGAKC-FRRDWIJNSA-N 2 0 225.380 1.058 20 0 BDADRP CC[C@H]1C[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@H]2C)CCO1 ZINC001246552702 987951477 /nfs/dbraw/zinc/95/14/77/987951477.db2.gz YXKZYXSYCOMAKD-WISYIIOYSA-N 2 0 212.337 1.366 20 0 BDADRP C[C@@]1([NH3+])CCC[N@@H+]([C@H]2CCCOCC2)CC1 ZINC001246553432 987955559 /nfs/dbraw/zinc/95/55/59/987955559.db2.gz RVWKXLZPNYQYLF-QWHCGFSZSA-N 2 0 226.364 1.759 20 0 BDADRP CC1(C)CC[C@H]([N@@H+]2CCCC[C@](O)(C[NH3+])C2)C1 ZINC001246555549 987965965 /nfs/dbraw/zinc/96/59/65/987965965.db2.gz BZHQQUAQEYGCBY-JSGCOSHPSA-N 2 0 240.391 1.741 20 0 BDADRP CC1(C)CC[C@@H]([N@@H+]2CCCC[C@@](O)(C[NH3+])C2)C1 ZINC001246555554 987966837 /nfs/dbraw/zinc/96/68/37/987966837.db2.gz BZHQQUAQEYGCBY-TZMCWYRMSA-N 2 0 240.391 1.741 20 0 BDADRP C[NH2+]CC[C@H](C)N1CCC[C@](C)([NH3+])CC1 ZINC001246555612 987967013 /nfs/dbraw/zinc/96/70/13/987967013.db2.gz XUFFQHRGKZYQKK-RYUDHWBXSA-N 2 0 213.369 1.188 20 0 BDADRP C[NH2+][C@@H](C)CC[NH2+]Cc1ccc(OC)cc1 ZINC001117953173 987969788 /nfs/dbraw/zinc/96/97/88/987969788.db2.gz BTPWDXMAYHMJJC-NSHDSACASA-N 2 0 222.332 1.783 20 0 BDADRP C[C@@H]1CC[N@@H+]([C@@H]2CCCOCC2)CC[C@@H]1C[NH3+] ZINC001246555853 987969920 /nfs/dbraw/zinc/96/99/20/987969920.db2.gz HEMITZWJNCQFMY-MGPQQGTHSA-N 2 0 240.391 1.862 20 0 BDADRP CCOCC[C@H](C)[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246557380 987972069 /nfs/dbraw/zinc/97/20/69/987972069.db2.gz LHVFVEVRDWOXFQ-QWHCGFSZSA-N 2 0 246.370 1.954 20 0 BDADRP CC(C)=CCC[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246557175 987976529 /nfs/dbraw/zinc/97/65/29/987976529.db2.gz FKQFUYZRHDVMDL-JHJVBQTASA-N 2 0 226.364 1.515 20 0 BDADRP CCN1CC[C@H]([N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)C1 ZINC001246560114 987982812 /nfs/dbraw/zinc/98/28/12/987982812.db2.gz PONYWERFHWPMQD-RDBSUJKOSA-N 2 0 239.407 1.387 20 0 BDADRP C[NH2+]CC[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001246560603 987984152 /nfs/dbraw/zinc/98/41/52/987984152.db2.gz QPZMZOQXQUPXPA-FRRDWIJNSA-N 3 0 227.396 1.291 20 0 BDADRP CC[C@@H](CC(C)C)[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246561596 987993590 /nfs/dbraw/zinc/99/35/90/987993590.db2.gz QSZVVNPBENBVHW-UONOGXRCSA-N 2 0 242.407 1.987 20 0 BDADRP CC[C@@H]1CC[C@H]([N@@H+]2CCCC[C@@](O)(C[NH3+])C2)C1 ZINC001246562548 988002201 /nfs/dbraw/zinc/00/22/01/988002201.db2.gz UHDQNWFSLZCOSF-HZSPNIEDSA-N 2 0 240.391 1.741 20 0 BDADRP C[C@H]1C[C@@H](N2CCC(F)(F)[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC001246562195 988005106 /nfs/dbraw/zinc/00/51/06/988005106.db2.gz YJFIFTNROVUDTA-DCAQKATOSA-N 2 0 247.333 1.043 20 0 BDADRP CC[C@@H]1CC[C@@H]([N@@H+]2CCCC[C@](O)(C[NH3+])C2)C1 ZINC001246562549 988005433 /nfs/dbraw/zinc/00/54/33/988005433.db2.gz UHDQNWFSLZCOSF-MCIONIFRSA-N 2 0 240.391 1.741 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH3+])N([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246563064 988008271 /nfs/dbraw/zinc/00/82/71/988008271.db2.gz BDIGKGYSBQTSRC-NDBYEHHHSA-N 2 0 225.380 1.186 20 0 BDADRP C[C@H]1C[C@@H]([N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)CC[NH2+]1 ZINC001246563936 988012164 /nfs/dbraw/zinc/01/21/64/988012164.db2.gz YHIVVAFXSXOVBQ-RQJABVFESA-N 3 0 239.407 1.434 20 0 BDADRP CC[N@@H+]1CCC[C@H](CN[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC001118118011 988018459 /nfs/dbraw/zinc/01/84/59/988018459.db2.gz CEFBWRLHYBZDGH-MGPQQGTHSA-N 3 0 239.407 1.435 20 0 BDADRP C[C@@H]1[C@H](C[NH3+])CCCN1[C@H]1CCCC[NH2+]C1 ZINC001246568099 988023685 /nfs/dbraw/zinc/02/36/85/988023685.db2.gz YNYXTZOBJMDFFV-AGIUHOORSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@H]1CC(N2CC[C@@H](C)[C@@H]([NH3+])C2)C[C@@H](C)[NH2+]1 ZINC001246566657 988029476 /nfs/dbraw/zinc/02/94/76/988029476.db2.gz TWQHFNSMNQYMLF-UZWSLXQKSA-N 2 0 225.380 1.185 20 0 BDADRP C(SC[C@@H]1CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC001118135090 988042891 /nfs/dbraw/zinc/04/28/91/988042891.db2.gz IQXCMLUPYJWNHL-GFCCVEGCSA-N 2 0 228.405 1.719 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2CCC[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC001246573553 988070573 /nfs/dbraw/zinc/07/05/73/988070573.db2.gz SDYAVIYNVISVSI-MJBXVCDLSA-N 2 0 239.407 1.447 20 0 BDADRP CCN1CC[C@H]([N@@H+]2CCC[C@@](C)(C[NH3+])CC2)C1 ZINC001246576497 988084369 /nfs/dbraw/zinc/08/43/69/988084369.db2.gz KLJWXMRZYGHWPW-UONOGXRCSA-N 2 0 239.407 1.532 20 0 BDADRP COC[C@@H](C)[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246577187 988089831 /nfs/dbraw/zinc/08/98/31/988089831.db2.gz NHSJEAAPDZASPZ-VXGBXAGGSA-N 2 0 214.353 1.472 20 0 BDADRP COC[C@H]1CCCC[N@@H+]1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246579092 988098526 /nfs/dbraw/zinc/09/85/26/988098526.db2.gz APQYYBLZDVJQJE-FRRDWIJNSA-N 2 0 226.364 1.628 20 0 BDADRP C[NH2+]CC[C@@H](C)N1CCCC[C@](F)(C[NH3+])C1 ZINC001246579777 988098916 /nfs/dbraw/zinc/09/89/16/988098916.db2.gz LFGPLKSNNQGQTE-NEPJUHHUSA-N 2 0 231.359 1.137 20 0 BDADRP Cc1ccc(C[C@H](C)[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001246579604 988101955 /nfs/dbraw/zinc/10/19/55/988101955.db2.gz KAKONXQDCYMRHB-QEJZJMRPSA-N 2 0 248.370 1.177 20 0 BDADRP CCC[C@@H](C)CC[C@@H](C)[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246580071 988103421 /nfs/dbraw/zinc/10/34/21/988103421.db2.gz KPRXBIDGIPROGO-MQYQWHSLSA-N 2 0 242.407 1.843 20 0 BDADRP CC[C@H](C)C[C@H](CC)[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246582761 988119744 /nfs/dbraw/zinc/11/97/44/988119744.db2.gz HMMUSGYRGBYLFM-CYDGBPFRSA-N 2 0 228.380 1.453 20 0 BDADRP C[N@@H+]1CC[C@H](N2CCCC[C@@](C)(C[NH3+])C2)C1 ZINC001246583360 988121823 /nfs/dbraw/zinc/12/18/23/988121823.db2.gz JURDXDKFUBVOFZ-STQMWFEESA-N 2 0 225.380 1.141 20 0 BDADRP [NH3+]C[C@H]1CCCC[N@@H+]([C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001246582930 988128049 /nfs/dbraw/zinc/12/80/49/988128049.db2.gz PEWYGZUSMMTXEM-NDBYEHHHSA-N 2 0 208.349 1.846 20 0 BDADRP C[C@H]1C[C@@H]([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CC(C)(C)C1 ZINC001246585834 988134411 /nfs/dbraw/zinc/13/44/11/988134411.db2.gz RGSBJDUSWQZTGG-RVMXOQNASA-N 2 0 240.391 1.453 20 0 BDADRP [NH3+]C[C@@]1(F)CCCCN([C@@H]2CCCC[NH2+]C2)C1 ZINC001246585063 988136509 /nfs/dbraw/zinc/13/65/09/988136509.db2.gz YLEHRPWIZKWYMH-OLZOCXBDSA-N 2 0 243.370 1.281 20 0 BDADRP CC(C)N([C@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]CC1 ZINC001246590753 988163591 /nfs/dbraw/zinc/16/35/91/988163591.db2.gz HZWWUXTXMFWLPI-KGLIPLIRSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CC[C@](C)(O)[C@H](C)C2)CC[NH2+]1 ZINC001246590334 988168675 /nfs/dbraw/zinc/16/86/75/988168675.db2.gz SKCKKNFFUBYMSJ-NDBYEHHHSA-N 2 0 226.364 1.220 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N2CC[NH2+][C@H](C)CC2)CC[NH2+]1 ZINC001246592107 988180695 /nfs/dbraw/zinc/18/06/95/988180695.db2.gz FMCORBLWMWGNBW-RDBSUJKOSA-N 2 0 239.407 1.447 20 0 BDADRP CC[C@@H]1CC(N2CC(C)(C[NH3+])C2)C[C@@H](CC)[NH2+]1 ZINC001246603516 988214942 /nfs/dbraw/zinc/21/49/42/988214942.db2.gz ZHVIYBJQJDCWGJ-VXGBXAGGSA-N 2 0 239.407 1.576 20 0 BDADRP C[NH2+]CC[C@H](C)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001246604476 988215143 /nfs/dbraw/zinc/21/51/43/988215143.db2.gz TZMXRBQVLAYHLJ-DZGCQCFKSA-N 2 0 247.386 1.631 20 0 BDADRP C1CO[C@]2(C1)CC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246608905 988233739 /nfs/dbraw/zinc/23/37/39/988233739.db2.gz VYUMGPHAEQFQQS-QNMSZWNNSA-N 2 0 236.359 1.524 20 0 BDADRP CCCC[C@@H]1C[C@H](N2CC3(C[NH2+]C3)C2)CC[NH2+]1 ZINC001246611914 988244556 /nfs/dbraw/zinc/24/45/56/988244556.db2.gz FELLROQAKMIPBT-CHWSQXEVSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@@H]1CC[C@H]([N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)C1 ZINC001246618522 988254477 /nfs/dbraw/zinc/25/44/77/988254477.db2.gz LQLYAAPFAFINLG-RFGFWPKPSA-N 2 0 237.391 1.201 20 0 BDADRP C[C@@H]1CC[C@@H]([N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)C1 ZINC001246618520 988254947 /nfs/dbraw/zinc/25/49/47/988254947.db2.gz LQLYAAPFAFINLG-MQYQWHSLSA-N 2 0 237.391 1.201 20 0 BDADRP C[NH2+]CC[C@H](C)N1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001246622564 988270062 /nfs/dbraw/zinc/27/00/62/988270062.db2.gz RGLWKYWFGZYETD-STQMWFEESA-N 2 0 225.380 1.202 20 0 BDADRP C1C[C@@]2(CN1[C@@H]1CCCC[NH2+]C1)CCCC[NH2+]2 ZINC001246623370 988282059 /nfs/dbraw/zinc/28/20/59/988282059.db2.gz QDXYRZHXQZOCIV-ZIAGYGMSSA-N 2 0 237.391 1.347 20 0 BDADRP [NH3+]CC1(F)CC[NH+]([C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001246629129 988305436 /nfs/dbraw/zinc/30/54/36/988305436.db2.gz PLQMESVFNHZBIY-JGPRNRPPSA-N 2 0 212.312 1.548 20 0 BDADRP C1OCC12CCC([N@@H+]1CC[C@@H]3[NH2+]CC[C@H]31)CC2 ZINC001246629005 988306583 /nfs/dbraw/zinc/30/65/83/988306583.db2.gz DCTWOPVLOQOWRH-QWHCGFSZSA-N 2 0 236.359 1.382 20 0 BDADRP O=C1C[C@H]2CC(N3CC[C@@H]4[NH2+]CC[C@H]43)C[C@@H]2C1 ZINC001246633195 988320760 /nfs/dbraw/zinc/32/07/60/988320760.db2.gz JZEZHNABPFZTOE-XYHOJCAOSA-N 2 0 234.343 1.180 20 0 BDADRP FC1(F)C[C@H]2C[N@H+](C3CC[NH2+]CC3)C[C@H]2C1 ZINC001246640156 988333176 /nfs/dbraw/zinc/33/31/76/988333176.db2.gz SMFJGYJZMABPIG-AOOOYVTPSA-N 2 0 230.302 1.716 20 0 BDADRP C1CC2(C1)C[C@@H](N1CC[C@@H]3[NH2+]CC[C@H]31)CC[NH2+]2 ZINC001246640406 988335906 /nfs/dbraw/zinc/33/59/06/988335906.db2.gz GJAHNKLNLNVEDL-RWMBFGLXSA-N 2 0 235.375 1.097 20 0 BDADRP CC[C@@H]1C[C@H](N2CCCCC23C[NH2+]C3)CC[NH2+]1 ZINC001246641006 988347899 /nfs/dbraw/zinc/34/78/99/988347899.db2.gz GCZARRUZLOZNGT-CHWSQXEVSA-N 2 0 237.391 1.345 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[C@@H]3[NH2+]CC[C@H]31)C2 ZINC001246641208 988348068 /nfs/dbraw/zinc/34/80/68/988348068.db2.gz HXPVRXZXRIXPGR-VYDRJRHOSA-N 3 0 249.402 1.438 20 0 BDADRP C1[NH2+]CC12CC[C@@H]([N@@H+]1CCCC[C@@]13CC[NH2+]C3)C2 ZINC001246646564 988363130 /nfs/dbraw/zinc/36/31/30/988363130.db2.gz GBPIRACEPMWVEB-HIFRSBDPSA-N 3 0 249.402 1.347 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@]3(CCOC3)C2)CC[NH2+]1 ZINC001246645505 988364083 /nfs/dbraw/zinc/36/40/83/988364083.db2.gz BSJWYXHYNVWVKC-HZSPNIEDSA-N 2 0 238.375 1.629 20 0 BDADRP C[NH2+]CC[C@H](C)N1CCCC[C@]12CCC[NH2+]C2 ZINC001246654146 988377623 /nfs/dbraw/zinc/37/76/23/988377623.db2.gz UVHYZLXWAAHYHP-UONOGXRCSA-N 2 0 239.407 1.593 20 0 BDADRP C[C@@H]1CC[C@H](N2CCCC23CC[NH2+]CC3)C[NH2+]1 ZINC001246652044 988380607 /nfs/dbraw/zinc/38/06/07/988380607.db2.gz HIBJMVOTNVGNNP-OLZOCXBDSA-N 2 0 237.391 1.345 20 0 BDADRP C[NH2+]CC[C@@H](C)[NH+]1CCC2(CC[NH2+]CC2)CC1 ZINC001246656710 988387942 /nfs/dbraw/zinc/38/79/42/988387942.db2.gz VGMDCQVMWKWQPO-CYBMUJFWSA-N 3 0 239.407 1.450 20 0 BDADRP CCCC[C@H]1C[C@@H]([N@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)CC[NH2+]1 ZINC001246660677 988394290 /nfs/dbraw/zinc/39/42/90/988394290.db2.gz IVDFXZKWGJUXKH-YHQUGGNUSA-N 3 0 237.391 1.186 20 0 BDADRP C[NH2+][C@@H](C)CCNC(=O)C[C@@H](C[NH3+])CC(C)C ZINC001118505639 988402175 /nfs/dbraw/zinc/40/21/75/988402175.db2.gz FTLVXULFYGDHJR-RYUDHWBXSA-N 2 0 243.395 1.112 20 0 BDADRP C[C@H]1C[C@@H]([N@@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)CC[NH2+]1 ZINC001246670078 988408365 /nfs/dbraw/zinc/40/83/65/988408365.db2.gz WFFAZSYEPLDAFS-MMWGEVLESA-N 2 0 246.301 1.093 20 0 BDADRP CC[C@@H]1C[C@@H](N2CC[NH2+][C@@H]3C[C@@H]32)C[C@H](CC)[NH2+]1 ZINC001246666594 988409207 /nfs/dbraw/zinc/40/92/07/988409207.db2.gz WKXBQFZZCGOEKY-ITGHMWBKSA-N 2 0 237.391 1.342 20 0 BDADRP CC(C)[C@H]1C[C@H](N2CC[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC001246672934 988416065 /nfs/dbraw/zinc/41/60/65/988416065.db2.gz MWJUVUZLERJMFT-YNEHKIRRSA-N 2 0 225.380 1.057 20 0 BDADRP CC[C@@H]1C[C@H](N2C[C@@H]3C[C@H]2C[NH2+]3)C[C@H](CC)[NH2+]1 ZINC001246676671 988422145 /nfs/dbraw/zinc/42/21/45/988422145.db2.gz KBYOQRBELCMKCO-VJTDZRGJSA-N 2 0 237.391 1.342 20 0 BDADRP CN([C@H]1CCC[NH2+]C1)[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246677356 988422931 /nfs/dbraw/zinc/42/29/31/988422931.db2.gz HUZXQBNVSXAFIP-RYUDHWBXSA-N 2 0 225.380 1.201 20 0 BDADRP C1C[C@H]2CC([N@@H+]3[C@@H]4CC[C@H]3C[NH2+]CC4)C[C@@H]1[NH2+]2 ZINC001246677797 988425786 /nfs/dbraw/zinc/42/57/86/988425786.db2.gz OHWSDDKUYUSPPG-ZBBUEOHVSA-N 3 0 235.375 1.096 20 0 BDADRP C[NH2+]CC[C@H](C)N1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001246692237 988436127 /nfs/dbraw/zinc/43/61/27/988436127.db2.gz NHRNMHLUGPQOJF-YNEHKIRRSA-N 2 0 243.370 1.008 20 0 BDADRP C[NH2+]C1CCC([N@@H+]2CCN[C@H](C(C)C)C2)CC1 ZINC001246688920 988437585 /nfs/dbraw/zinc/43/75/85/988437585.db2.gz WWKSJYUSVKGZBA-RUXDESIVSA-N 2 0 239.407 1.447 20 0 BDADRP CC(C)[C@@H]1CN([C@@H]2CC[NH2+]C(C)(C)C2)CC[NH2+]1 ZINC001246689085 988437693 /nfs/dbraw/zinc/43/76/93/988437693.db2.gz XWRXKRCFKCZITH-OLZOCXBDSA-N 2 0 239.407 1.447 20 0 BDADRP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246688233 988437705 /nfs/dbraw/zinc/43/77/05/988437705.db2.gz DNRCMPARTOHLRM-WUHRBBMRSA-N 2 0 225.380 1.151 20 0 BDADRP CC(C)[C@@H]1CN([C@@H]2CC[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC001246688669 988438562 /nfs/dbraw/zinc/43/85/62/988438562.db2.gz WFYNLXFNFHXOJJ-XQQFMLRXSA-N 2 0 225.380 1.057 20 0 BDADRP C[C@H]1C[C@@H]([N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)CC[NH2+]1 ZINC001246704417 988447888 /nfs/dbraw/zinc/44/78/88/988447888.db2.gz VKRNDHKLQPBMHG-CRWXNKLISA-N 2 0 237.391 1.010 20 0 BDADRP CC(C)[C@@H]1C[NH2+]CCN1[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246697964 988450549 /nfs/dbraw/zinc/45/05/49/988450549.db2.gz UAHWPXINESZLJZ-UPJWGTAASA-N 2 0 225.380 1.057 20 0 BDADRP CC1(C)CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246782749 988463548 /nfs/dbraw/zinc/46/35/48/988463548.db2.gz KVNLQORBFZZUAL-LBPRGKRZSA-N 2 0 237.391 1.202 20 0 BDADRP CCN(CC[NH+](CC)CC)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246792384 988464729 /nfs/dbraw/zinc/46/47/29/988464729.db2.gz VIQGIWCGZFHAPE-ZIAGYGMSSA-N 2 0 241.423 1.791 20 0 BDADRP c1cncc([C@H]2CC[N@@H+](C3CC[NH2+]CC3)C2)c1 ZINC001246791700 988467742 /nfs/dbraw/zinc/46/77/42/988467742.db2.gz LUFRXHBKGVULNZ-ZDUSSCGKSA-N 2 0 231.343 1.623 20 0 BDADRP CC[C@H]1CN([C@H]2CC[NH2+]C3(CCC3)C2)CC[NH2+]1 ZINC001246804409 988486192 /nfs/dbraw/zinc/48/61/92/988486192.db2.gz PQROSEFYVSEKIY-STQMWFEESA-N 2 0 237.391 1.345 20 0 BDADRP CC[C@@H]1C[NH2+]CCN1[C@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246801949 988486224 /nfs/dbraw/zinc/48/62/24/988486224.db2.gz HUWKXQMFWJSDGG-HZSPNIEDSA-N 2 0 239.407 1.447 20 0 BDADRP CCOC(=O)[C@@H]1CC[N@@H+]([C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246814996 988498909 /nfs/dbraw/zinc/49/89/09/988498909.db2.gz BIRZVLPKYKSCNS-QJPTWQEYSA-N 2 0 240.347 1.012 20 0 BDADRP C[NH2+][C@@H]1CCN([C@H]2CC[NH2+][C@H](C(C)C)C2)C1 ZINC001246811957 988499118 /nfs/dbraw/zinc/49/91/18/988499118.db2.gz FPWSUXFQPXTXBZ-AGIUHOORSA-N 2 0 225.380 1.057 20 0 BDADRP C[NH2+]CC[C@@H](C)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246823551 988508363 /nfs/dbraw/zinc/50/83/63/988508363.db2.gz CSINLLKUWSIQLE-UKRRQHHQSA-N 2 0 247.386 1.631 20 0 BDADRP CC[C@H]1C[C@H](N2CCCC[C@H]2C[NH3+])CC[NH2+]1 ZINC001246830230 988523626 /nfs/dbraw/zinc/52/36/26/988523626.db2.gz QNAJKCNNLARMHO-XQQFMLRXSA-N 2 0 225.380 1.330 20 0 BDADRP COC(=O)[C@H]1CCC[N@@H+]([C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246829568 988524035 /nfs/dbraw/zinc/52/40/35/988524035.db2.gz MEXMFPNYMREQLD-SRVKXCTJSA-N 2 0 240.347 1.012 20 0 BDADRP C[C@@H]1C[C@H](N2CC[NH2+][C@@H](c3ccccc3)C2)C[NH2+]1 ZINC001246828945 988524091 /nfs/dbraw/zinc/52/40/91/988524091.db2.gz TXGSZYRBVREYNM-VHDGCEQUSA-N 2 0 245.370 1.383 20 0 BDADRP CC[C@@H](CC(C)C)N(CC[NH3+])CC[NH3+] ZINC001246835344 988531977 /nfs/dbraw/zinc/53/19/77/988531977.db2.gz WWUHHPDYDGYBTD-NSHDSACASA-N 2 0 201.358 1.031 20 0 BDADRP COC(=O)C[C@@H]1CCC[N@@H+]1[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246838393 988541479 /nfs/dbraw/zinc/54/14/79/988541479.db2.gz HGGLFAHUGXJBTA-SDDRHHMPSA-N 2 0 240.347 1.154 20 0 BDADRP C[C@@H]1C[C@H](N(C)C[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246839671 988542658 /nfs/dbraw/zinc/54/26/58/988542658.db2.gz DLSZHVLOPINKHJ-JHJVBQTASA-N 2 0 225.380 1.058 20 0 BDADRP C[NH2+]Cc1cccc(N[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC001246848774 988560632 /nfs/dbraw/zinc/56/06/32/988560632.db2.gz DXDJYGKRVRTOSQ-FZMZJTMJSA-N 2 0 233.359 1.958 20 0 BDADRP CCN([C@@H]1CC[NH2+]C1)[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246850158 988561439 /nfs/dbraw/zinc/56/14/39/988561439.db2.gz JBLWAKLIUCRHGF-NWDGAFQWSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H]1CCC[C@H]([N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)C1 ZINC001246850663 988566782 /nfs/dbraw/zinc/56/67/82/988566782.db2.gz CNFFIVJRCIIOCJ-FVCCEPFGSA-N 2 0 208.349 1.988 20 0 BDADRP CC[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)C1 ZINC001246853252 988569615 /nfs/dbraw/zinc/56/96/15/988569615.db2.gz LJJHBIKVPGLIPC-VOAKCMCISA-N 2 0 208.349 1.988 20 0 BDADRP CC1(C)[C@@H]2C[C@@H]([N@@H+]3C[C@@H]4CC[C@@]4([NH3+])C3)C[C@@H]21 ZINC001246851809 988569720 /nfs/dbraw/zinc/56/97/20/988569720.db2.gz HPWQBYIUZYMOPW-ZXPJVPCYSA-N 2 0 220.360 1.844 20 0 BDADRP [NH3+][C@]12CC[C@@H]1CN(C1CC[NH+](CC3CC3)CC1)C2 ZINC001246854531 988571194 /nfs/dbraw/zinc/57/11/94/988571194.db2.gz PZPCPYRAANKMTP-HIFRSBDPSA-N 3 0 249.402 1.284 20 0 BDADRP C[C@H]1CC[C@@H](N2CC3(C2)CCC[NH2+]CC3)C[NH2+]1 ZINC001246854674 988578293 /nfs/dbraw/zinc/57/82/93/988578293.db2.gz QOJJWPFURYWBCB-QWHCGFSZSA-N 2 0 237.391 1.202 20 0 BDADRP CN(C[C@@H]1CCC[NH2+]1)[C@H]1CC2CC[NH+](CC2)C1 ZINC001246889384 988653587 /nfs/dbraw/zinc/65/35/87/988653587.db2.gz PDLOEPMYMXSUMQ-KBPBESRZSA-N 2 0 237.391 1.155 20 0 BDADRP CN(C[C@@H]1CCC[NH2+]1)C1CCC2(C[NH2+]C2)CC1 ZINC001246889333 988658275 /nfs/dbraw/zinc/65/82/75/988658275.db2.gz OCZWDNJCGDFZFB-LBPRGKRZSA-N 2 0 237.391 1.202 20 0 BDADRP CCCC[C@@H]1C[C@@H]([N@H+](C)CCCC[NH3+])CC[NH2+]1 ZINC001246890655 988660232 /nfs/dbraw/zinc/66/02/32/988660232.db2.gz KOJBIFPXMJDURB-KGLIPLIRSA-N 3 0 241.423 1.968 20 0 BDADRP CC[C@@H]1C[C@H]([N@H+](C)CCCC[NH3+])C[C@H](CC)[NH2+]1 ZINC001246890579 988661771 /nfs/dbraw/zinc/66/17/71/988661771.db2.gz IKVDNDKSPMDCAS-WDNDVIMCSA-N 3 0 241.423 1.966 20 0 BDADRP CCN(CC[NH2+]C)[C@@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246893543 988664727 /nfs/dbraw/zinc/66/47/27/988664727.db2.gz WTAHWLWCNVNHSZ-OLZOCXBDSA-N 2 0 227.396 1.304 20 0 BDADRP CCN(CC[NH2+]C)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246893954 988665744 /nfs/dbraw/zinc/66/57/44/988665744.db2.gz YILGDTGCVBUSRB-CHWSQXEVSA-N 2 0 241.423 1.694 20 0 BDADRP C[C@@H]1CC[C@H](N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)C[NH2+]1 ZINC001246898417 988669335 /nfs/dbraw/zinc/66/93/35/988669335.db2.gz YMQNRWUWJDXHCG-YIYPIFLZSA-N 2 0 237.391 1.010 20 0 BDADRP CCCN(C1CC[NH2+]CC1)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246895522 988671175 /nfs/dbraw/zinc/67/11/75/988671175.db2.gz CQIROSIPQCZKOE-OCCSQVGLSA-N 2 0 239.407 1.591 20 0 BDADRP CCCC[C@H]1CN([C@H]2CC[C@H](C)[NH2+]C2)CC[NH2+]1 ZINC001246902453 988674743 /nfs/dbraw/zinc/67/47/43/988674743.db2.gz LNAOPDRPKCMNSQ-IHRRRGAJSA-N 2 0 239.407 1.591 20 0 BDADRP CCC[C@H]1C[N@@H+]([C@@H]2CCC3(C[NH2+]C3)C2)CCN1 ZINC001246902445 988676151 /nfs/dbraw/zinc/67/61/51/988676151.db2.gz LJXPKMGEGJPAJM-QWHCGFSZSA-N 2 0 237.391 1.202 20 0 BDADRP CCC[C@H]1C[N@@H+]([C@H]2CCC3(C[NH2+]C3)C2)CCN1 ZINC001246902446 988677323 /nfs/dbraw/zinc/67/73/23/988677323.db2.gz LJXPKMGEGJPAJM-STQMWFEESA-N 2 0 237.391 1.202 20 0 BDADRP C[N@@H+](C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246905755 988680378 /nfs/dbraw/zinc/68/03/78/988680378.db2.gz GIPAPOPPXTVEAC-RMSJZQPVSA-N 3 0 237.391 1.471 20 0 BDADRP CCC[C@H]1CN([C@H]2CC[C@H](C)[NH2+]C2)CC[NH2+]1 ZINC001246903366 988680623 /nfs/dbraw/zinc/68/06/23/988680623.db2.gz PTGRPOUTQPXINI-AVGNSLFASA-N 2 0 225.380 1.201 20 0 BDADRP [NH3+]C[C@H]1CCCN1[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246906915 988680713 /nfs/dbraw/zinc/68/07/13/988680713.db2.gz CFNYYULJNOTQJU-XQHKEYJVSA-N 2 0 223.364 1.083 20 0 BDADRP CC[C@@H]1C[C@H](N(C)[C@@H]2CCCC[C@H]2[NH3+])CC[NH2+]1 ZINC001246907516 988686584 /nfs/dbraw/zinc/68/65/84/988686584.db2.gz AHXVVCLKVQFYKO-AAVRWANBSA-N 2 0 239.407 1.719 20 0 BDADRP C1[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001246915388 988706296 /nfs/dbraw/zinc/70/62/96/988706296.db2.gz FZQZFFFWLXFWSH-QEJZJMRPSA-N 2 0 249.402 1.297 20 0 BDADRP COC[C@H]1CC[N@@H+]([C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246915153 988708856 /nfs/dbraw/zinc/70/88/56/988708856.db2.gz VQHXLLIHXDEWBB-SRVKXCTJSA-N 2 0 212.337 1.095 20 0 BDADRP CC(C)(C)[C@H]1C[C@@H](N2CCC[C@@H]2C[NH3+])CC[NH2+]1 ZINC001246918798 988711526 /nfs/dbraw/zinc/71/15/26/988711526.db2.gz XCCJINDBJRFAEZ-YNEHKIRRSA-N 2 0 239.407 1.576 20 0 BDADRP C[NH2+]C1CCC([N@H+](C)[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246917563 988715352 /nfs/dbraw/zinc/71/53/52/988715352.db2.gz KCHVGHPJXLJOJN-BLYZHGLHSA-N 3 0 239.407 1.589 20 0 BDADRP C[C@@H]1C[C@H]([N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CCO1 ZINC001246929321 988755315 /nfs/dbraw/zinc/75/53/15/988755315.db2.gz DVBKNXOADZPWHR-YIYPIFLZSA-N 2 0 238.375 1.485 20 0 BDADRP C1C[C@H]2CC([N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)C[C@@H]1[NH2+]2 ZINC001246933180 988763473 /nfs/dbraw/zinc/76/34/73/988763473.db2.gz QVSJPJCLHRVHQX-RRIFHVCJSA-N 3 0 249.402 1.201 20 0 BDADRP C[C@H]1[C@@H]([NH3+])CCCN1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246938922 988769294 /nfs/dbraw/zinc/76/92/94/988769294.db2.gz PIHDQWYLFSTYSU-UVYIHGJDSA-N 2 0 223.364 1.081 20 0 BDADRP C[C@H]1CN([C@H]2CC[NH2+]C3(CCC3)C2)C[C@H](C)[NH2+]1 ZINC001246941859 988773038 /nfs/dbraw/zinc/77/30/38/988773038.db2.gz CSBQDNRSLGHAQO-AVGNSLFASA-N 2 0 237.391 1.343 20 0 BDADRP CCC[NH+]1C[C@H]2CN(C3CC[NH2+]CC3)C[C@@H]2C1 ZINC001246940096 988773879 /nfs/dbraw/zinc/77/38/79/988773879.db2.gz IDDCERKFGRMGPV-STQMWFEESA-N 2 0 237.391 1.012 20 0 BDADRP C[NH2+]C1CCC([NH+]2C[C@H](C)N[C@@H](C)C2)CC1 ZINC001246943620 988775309 /nfs/dbraw/zinc/77/53/09/988775309.db2.gz MUBYZESXPPOLPH-ZSVAQUKISA-N 2 0 225.380 1.199 20 0 BDADRP C1C[C@@]2(C[NH2+]1)CCC[C@@H]([N@@H+]1C[C@@H]3CC[C@H]1CN3)C2 ZINC001246946086 988782237 /nfs/dbraw/zinc/78/22/37/988782237.db2.gz ZUEFBUOHPZSCMD-XGUBFFRZSA-N 2 0 249.402 1.345 20 0 BDADRP C[NH2+]CCN([C@@H]1CC[NH2+][C@@H](C)C1)C(C)(C)C ZINC001246950467 988784368 /nfs/dbraw/zinc/78/43/68/988784368.db2.gz VLDGGUCFSJGPPW-NWDGAFQWSA-N 2 0 227.396 1.447 20 0 BDADRP CC(C)CN([C@@H]1C[NH2+][C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC001246954302 988786615 /nfs/dbraw/zinc/78/66/15/988786615.db2.gz YCEOGMMRTAGVJE-MJBXVCDLSA-N 2 0 239.407 1.447 20 0 BDADRP CC(C)N([C@@H]1CCC[NH2+]C1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246956138 988789087 /nfs/dbraw/zinc/78/90/87/988789087.db2.gz WLDXVPLPAGYURQ-MGPQQGTHSA-N 2 0 239.407 1.589 20 0 BDADRP C[C@@H]1CN([C@H]2CC[NH2+]C(C)(C)C2)C[C@@H](C)[NH2+]1 ZINC001246962280 988795595 /nfs/dbraw/zinc/79/55/95/988795595.db2.gz DIFOHKAVMZVIKQ-UTUOFQBUSA-N 2 0 225.380 1.199 20 0 BDADRP CC1(C)C[C@H](N(C2CC2)[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC001246969789 988799478 /nfs/dbraw/zinc/79/94/78/988799478.db2.gz XGHMMUZLLMABGX-CHWSQXEVSA-N 2 0 237.391 1.343 20 0 BDADRP C1CC(N(C2CC[NH2+]CC2)C2CC[NH2+]CC2)C1 ZINC001246972622 988801589 /nfs/dbraw/zinc/80/15/89/988801589.db2.gz DKAUMZSHVSHGNS-UHFFFAOYSA-N 2 0 237.391 1.345 20 0 BDADRP CC[C@H]([NH3+])CN(C)[C@@H]1CC2CC[NH+](CC2)C1 ZINC001246976082 988804527 /nfs/dbraw/zinc/80/45/27/988804527.db2.gz XILRCKCVXNRYQF-QWHCGFSZSA-N 2 0 225.380 1.140 20 0 BDADRP CC[C@H]([NH3+])CN(C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001246973505 988806907 /nfs/dbraw/zinc/80/69/07/988806907.db2.gz KFLWTMGBCOXTJJ-RVMXOQNASA-N 2 0 225.380 1.281 20 0 BDADRP CC[C@H]([NH3+])CN(C)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001246975418 988807379 /nfs/dbraw/zinc/80/73/79/988807379.db2.gz UFZAGCUPZDLLSM-ICIURTGMSA-N 2 0 239.407 1.671 20 0 BDADRP C1CC(N(C2CC[NH2+]CC2)[C@@H]2CCC[NH2+]C2)C1 ZINC001246978717 988811546 /nfs/dbraw/zinc/81/15/46/988811546.db2.gz VMVAYACHDLIJGT-CQSZACIVSA-N 2 0 237.391 1.345 20 0 BDADRP CC(C)[N@@H+]1CCN([C@@H]2CC[NH2+][C@H](C)C2)C[C@@H]1C ZINC001246977582 988812494 /nfs/dbraw/zinc/81/24/94/988812494.db2.gz DYMPVEDJQFRBAZ-HZSPNIEDSA-N 2 0 239.407 1.541 20 0 BDADRP C[C@H]([NH3+])CN(C)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001246981904 988814976 /nfs/dbraw/zinc/81/49/76/988814976.db2.gz UHLHBOCVRARAJZ-ACJTYDJDSA-N 2 0 225.380 1.281 20 0 BDADRP c1ccc(C[C@@H]2C[C@H](N3CC[NH2+]C3)CC[NH2+]2)cc1 ZINC001246989736 988820623 /nfs/dbraw/zinc/82/06/23/988820623.db2.gz GXNBFIFRQPCZOY-HUUCEWRRSA-N 2 0 245.370 1.212 20 0 BDADRP C1=C2[NH2+]CCN(C3CC[NH2+]CC3)[C@@H]2CCC1 ZINC001246993381 988825775 /nfs/dbraw/zinc/82/57/75/988825775.db2.gz GWYJOGLJGMRUHK-CYBMUJFWSA-N 2 0 221.348 1.080 20 0 BDADRP C1=C2NCC[N@@H+]([C@@H]3C[C@H]4C[NH2+]C[C@H]4C3)[C@H]2CCC1 ZINC001246997167 988827380 /nfs/dbraw/zinc/82/73/80/988827380.db2.gz QYIJUYKPRCKSBD-JLNYLFASSA-N 2 0 247.386 1.326 20 0 BDADRP C[C@H]1C[C@H](N2CC[NH2+]C3=CCCC[C@H]32)CC[NH2+]1 ZINC001246996530 988828177 /nfs/dbraw/zinc/82/81/77/988828177.db2.gz PBGBFFFZAKGMPQ-OUCADQQQSA-N 2 0 235.375 1.469 20 0 BDADRP CO[C@@H]1CC[N@@H+]([C@H]2CC[NH2+][C@@H](C)C2)[C@H](C)C1 ZINC001246997259 988829635 /nfs/dbraw/zinc/82/96/35/988829635.db2.gz TVMHHUMKYQECOM-QNWHQSFQSA-N 2 0 226.364 1.626 20 0 BDADRP C[C@H]1C[C@@H](N2CC[NH2+]C3=CCCC[C@H]32)CC[NH2+]1 ZINC001246996748 988830284 /nfs/dbraw/zinc/83/02/84/988830284.db2.gz PBGBFFFZAKGMPQ-SGMGOOAPSA-N 2 0 235.375 1.469 20 0 BDADRP C[C@@H]1C[C@H]([N@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)CC[NH2+]1 ZINC001247000844 988830870 /nfs/dbraw/zinc/83/08/70/988830870.db2.gz HCJYAXDEXOKGLS-LPWJVIDDSA-N 2 0 236.359 1.428 20 0 BDADRP CC[C@H]1CC(N2CC[NH2+]C2)C[C@H](CC)[NH2+]1 ZINC001246997610 988831409 /nfs/dbraw/zinc/83/14/09/988831409.db2.gz WEXGDFCAPMHJIH-QWRGUYRKSA-N 2 0 211.353 1.158 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)CC[NH2+]1 ZINC001247000841 988833496 /nfs/dbraw/zinc/83/34/96/988833496.db2.gz HCJYAXDEXOKGLS-FDYHWXHSSA-N 2 0 236.359 1.428 20 0 BDADRP C[C@@H]1C[C@H](N2CCC[C@](C)(C[NH3+])C2)CC[NH2+]1 ZINC001247007556 988834859 /nfs/dbraw/zinc/83/48/59/988834859.db2.gz ZWFMPYLOKAPODN-JHJVBQTASA-N 2 0 225.380 1.188 20 0 BDADRP O=C1CCC[C@@H]2C[N@@H+]([C@@H]3CCC[NH2+]C3)C[C@@H]12 ZINC001247007890 988837997 /nfs/dbraw/zinc/83/79/97/988837997.db2.gz ZCLUUODHVTVSQS-IJLUTSLNSA-N 2 0 222.332 1.039 20 0 BDADRP C1C[C@H]2C[C@H](N3CC[C@H]4[NH2+]CCC[C@@H]4C3)C[C@@H]1[NH2+]2 ZINC001247016981 988842883 /nfs/dbraw/zinc/84/28/83/988842883.db2.gz ZLQNYRLSQZGNNV-UXXRCYHCSA-N 2 0 249.402 1.343 20 0 BDADRP C[C@H]1C[C@H](N2CC[C@H]3[NH2+]CCC[C@@H]3C2)CC[NH2+]1 ZINC001247016371 988843658 /nfs/dbraw/zinc/84/36/58/988843658.db2.gz ULQSAIQAEUANAC-REWJHTLYSA-N 2 0 237.391 1.201 20 0 BDADRP CC(C)C[N@@H+]1CC[C@@H](CNc2cc[nH+]cc2)C1 ZINC001515204881 988999542 /nfs/dbraw/zinc/99/95/42/988999542.db2.gz LRGTXZVONOONBB-ZDUSSCGKSA-N 2 0 233.359 1.893 20 0 BDADRP C[N@H+](CCCCNc1cc[nH+]c(N)n1)C1CC1 ZINC001515805248 989121599 /nfs/dbraw/zinc/12/15/99/989121599.db2.gz QWDZGHWGSWDBDC-UHFFFAOYSA-N 2 0 235.335 1.345 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+]C[C@H]1CCOc2ccccc21 ZINC001325319557 989158468 /nfs/dbraw/zinc/15/84/68/989158468.db2.gz LNIXFOOGYOTYBD-QWHCGFSZSA-N 2 0 248.370 1.998 20 0 BDADRP CC(C)([NH3+])CC[NH2+]Cc1c[nH]nc1C(C)(C)C ZINC001119611733 989236631 /nfs/dbraw/zinc/23/66/31/989236631.db2.gz WWBPMCVMUIFMLP-UHFFFAOYSA-N 2 0 238.379 1.924 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC001326035297 989325650 /nfs/dbraw/zinc/32/56/50/989325650.db2.gz HPMUDCPBESIRJK-VXGBXAGGSA-N 3 0 227.396 1.162 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC001326035295 989333853 /nfs/dbraw/zinc/33/38/53/989333853.db2.gz HPMUDCPBESIRJK-NWDGAFQWSA-N 3 0 227.396 1.162 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@H]1CCC[C@H](OC)C1 ZINC001326035216 989334613 /nfs/dbraw/zinc/33/46/13/989334613.db2.gz FTUKQIUKRFORRR-WOPDTQHZSA-N 2 0 214.353 1.532 20 0 BDADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)C(C)(C)CO)C1 ZINC001119688509 989335386 /nfs/dbraw/zinc/33/53/86/989335386.db2.gz HLSMUQIBWOPCFZ-STQMWFEESA-N 2 0 242.407 1.715 20 0 BDADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]CC[C@@H](C)[NH2+]C ZINC001326036311 989335452 /nfs/dbraw/zinc/33/54/52/989335452.db2.gz PAJJKMRZHQVQBM-VXGBXAGGSA-N 2 0 243.395 1.221 20 0 BDADRP CC[N@@H+]1C[C@@H](C)N(C[C@H]2CCC[NH+]2C)C[C@@H]1C ZINC001119693210 989339273 /nfs/dbraw/zinc/33/92/73/989339273.db2.gz WBGBXZNRAKJZEC-BFHYXJOUSA-N 2 0 239.407 1.495 20 0 BDADRP C[NH2+][C@H](C)CCNC(=O)CCCCCC[NH3+] ZINC001326074732 989366551 /nfs/dbraw/zinc/36/65/51/989366551.db2.gz KKBWCMJSQSIVER-LLVKDONJSA-N 2 0 229.368 1.010 20 0 BDADRP C[NH2+][C@@H](C)CCNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC001326243440 989440345 /nfs/dbraw/zinc/44/03/45/989440345.db2.gz BDPVVXOWDAOKLI-WCQYABFASA-N 2 0 249.358 1.191 20 0 BDADRP C[C@H]([NH2+]CCc1ccc(N(C)C)cc1)C1C[NH2+]C1 ZINC001326458794 989568061 /nfs/dbraw/zinc/56/80/61/989568061.db2.gz KRUDHKNIZKABGC-LBPRGKRZSA-N 2 0 247.386 1.493 20 0 BDADRP C[NH2+][C@H](C)CCN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC001326473420 989574968 /nfs/dbraw/zinc/57/49/68/989574968.db2.gz JTQAFEYKFFTJQG-GRYCIOLGSA-N 2 0 213.369 1.105 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CC[C@@](O)(C3CC3)C2)CC1 ZINC001120052592 989582454 /nfs/dbraw/zinc/58/24/54/989582454.db2.gz YECFHWYTFSRZOL-AWEZNQCLSA-N 2 0 238.375 1.175 20 0 BDADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3cnc[nH]3)C[C@H]2C1 ZINC001120072147 989588671 /nfs/dbraw/zinc/58/86/71/989588671.db2.gz RSUBSCMTIFAMAF-YRGRVCCFSA-N 2 0 248.374 1.572 20 0 BDADRP CSC[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001120485546 989671353 /nfs/dbraw/zinc/67/13/53/989671353.db2.gz OQVJSJYQYAOVFH-RYUDHWBXSA-N 2 0 246.420 1.030 20 0 BDADRP C[NH2+][C@@H](C)C(=O)N1C[C@H](CC[NH3+])c2ccccc21 ZINC001122109567 990243478 /nfs/dbraw/zinc/24/34/78/990243478.db2.gz LMPFSWMSACXQJH-QWRGUYRKSA-N 2 0 247.342 1.074 20 0 BDADRP CN(CCCCCC[NH3+])C(=O)CC1CC([NH3+])C1 ZINC001122122977 990248958 /nfs/dbraw/zinc/24/89/58/990248958.db2.gz JYDQLPMXINFKIX-UHFFFAOYSA-N 2 0 241.379 1.091 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001122222111 990297000 /nfs/dbraw/zinc/29/70/00/990297000.db2.gz NOVRIZCXWGKPRF-CMPLNLGQSA-N 2 0 245.326 1.356 20 0 BDADRP Cc1cnccc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001308555393 991036572 /nfs/dbraw/zinc/03/65/72/991036572.db2.gz VOMWUDIWFOBCSF-RRFJBIMHSA-N 2 0 245.370 1.820 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCC[N@H+](C)CCO)C[C@@H](C)C1 ZINC001258164005 991038529 /nfs/dbraw/zinc/03/85/29/991038529.db2.gz PSAHIZTYQXUCFU-WDNDVIMCSA-N 2 0 242.407 1.715 20 0 BDADRP CC[NH+]1CCC(C[NH2+]CC2(CCO)CC2)CC1 ZINC001308705467 991105041 /nfs/dbraw/zinc/10/50/41/991105041.db2.gz NUPBFAXXRUJTAU-UHFFFAOYSA-N 2 0 240.391 1.471 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12)[C@@H]1CCCO1 ZINC001308984902 991251533 /nfs/dbraw/zinc/25/15/33/991251533.db2.gz QFHXKHLBJGQZKT-MRTXSQPYSA-N 2 0 238.375 1.484 20 0 BDADRP C[C@H]1C[C@@H](O)C[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC001559913329 991326294 /nfs/dbraw/zinc/32/62/94/991326294.db2.gz NHSRSXIPWPCBBL-RWMBFGLXSA-N 2 0 226.364 1.173 20 0 BDADRP CC[N@H+]1C[C@@H]2C[NH+](CC3(CC)COC3)C[C@@H]2C1 ZINC001202963893 991342062 /nfs/dbraw/zinc/34/20/62/991342062.db2.gz COLBEAQJIZVJEL-BETUJISGSA-N 2 0 238.375 1.297 20 0 BDADRP C[C@H](CC1CC1)[NH+]1CCN(CCCC[NH3+])CC1 ZINC001258456881 991408875 /nfs/dbraw/zinc/40/88/75/991408875.db2.gz RHXZULOVVHCOOY-CYBMUJFWSA-N 2 0 239.407 1.532 20 0 BDADRP CCC[N@H+](CCC[NH3+])[C@@H](C)CCC(=O)OCC ZINC001258475094 991444744 /nfs/dbraw/zinc/44/47/44/991444744.db2.gz AHBASTQUIILEAL-LBPRGKRZSA-N 2 0 244.379 1.779 20 0 BDADRP CCCC1CCC([NH2+]CCOCC[NH3+])CC1 ZINC001258528591 991473509 /nfs/dbraw/zinc/47/35/09/991473509.db2.gz SBGFCDGISMTQHS-UHFFFAOYSA-N 2 0 228.380 1.910 20 0 BDADRP CCC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)C[NH3+] ZINC001258649435 991581953 /nfs/dbraw/zinc/58/19/53/991581953.db2.gz HIYCQAGUHFGCRD-KBPBESRZSA-N 2 0 236.359 1.307 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCOCC[NH3+])CC(C)(C)C1 ZINC001258686653 991619619 /nfs/dbraw/zinc/61/96/19/991619619.db2.gz ILLPVYLQJKKFJT-RYUDHWBXSA-N 2 0 228.380 1.766 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+][C@H]2CCCN(CC)C2)C1 ZINC001560921554 991652429 /nfs/dbraw/zinc/65/24/29/991652429.db2.gz PSHKDPODQNWGDJ-AVGNSLFASA-N 2 0 226.364 1.628 20 0 BDADRP C[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCOCC2)C1 ZINC000083425400 991674804 /nfs/dbraw/zinc/67/48/04/991674804.db2.gz IXMFTOIYPANSFW-NWDGAFQWSA-N 2 0 212.337 1.097 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H]2C[C@](C)(O)C2)CC1 ZINC001258766072 991727256 /nfs/dbraw/zinc/72/72/56/991727256.db2.gz LUVVQAXTZJUQCM-JOCQHMNTSA-N 2 0 226.364 1.364 20 0 BDADRP CCC[NH+]1CCC(n2ccc(C[NH3+])c2)CC1 ZINC001258768539 991731461 /nfs/dbraw/zinc/73/14/61/991731461.db2.gz QBKCTIPEDJJFCM-UHFFFAOYSA-N 2 0 221.348 1.994 20 0 BDADRP CCC[NH+]1CCC([N@@H+]2CCC[C@H](O)C2)CC1 ZINC001258771629 991735227 /nfs/dbraw/zinc/73/52/27/991735227.db2.gz MEEDPGJKGGRRKE-ZDUSSCGKSA-N 2 0 226.364 1.318 20 0 BDADRP CCC[NH+]1CCC(N(C)[C@H]2CC[N@H+](C)C2)CC1 ZINC001258775195 991739845 /nfs/dbraw/zinc/73/98/45/991739845.db2.gz DUGINDOSHPGXJY-AWEZNQCLSA-N 2 0 239.407 1.497 20 0 BDADRP CC[C@H](C[C@@H](C)CC)[NH+]1CCN(CC[NH3+])CC1 ZINC001258780720 991752172 /nfs/dbraw/zinc/75/21/72/991752172.db2.gz PZNZDVZNMOFXJL-UONOGXRCSA-N 2 0 241.423 1.778 20 0 BDADRP CC(C)[C@H](CNc1cc[nH+]cc1)[NH+]1CCOCC1 ZINC001318997718 991760122 /nfs/dbraw/zinc/76/01/22/991760122.db2.gz SENLTHBXQYIOSL-AWEZNQCLSA-N 2 0 249.358 1.272 20 0 BDADRP CC(C)[C@@H](CNc1cc[nH+]cc1)[NH+]1CCOCC1 ZINC001318997719 991762563 /nfs/dbraw/zinc/76/25/63/991762563.db2.gz SENLTHBXQYIOSL-CQSZACIVSA-N 2 0 249.358 1.272 20 0 BDADRP C[C@H]1CCC[C@@H](NC(=[NH2+])NCCCC[NH3+])C1 ZINC001258809216 991814421 /nfs/dbraw/zinc/81/44/21/991814421.db2.gz WOWYOYPIKIILGF-WDEREUQCSA-N 2 0 226.368 1.418 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CC(OC)C1 ZINC001258908099 991886087 /nfs/dbraw/zinc/88/60/87/991886087.db2.gz RGTHATZUWUMASG-GFCCVEGCSA-N 2 0 228.380 1.828 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C(C)(C)CO ZINC001258896254 991890182 /nfs/dbraw/zinc/89/01/82/991890182.db2.gz JOTLIIGYZAWNES-GFCCVEGCSA-N 2 0 230.396 1.857 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+]CC1(O)CC1 ZINC001258897002 991890840 /nfs/dbraw/zinc/89/08/40/991890840.db2.gz BSIGMINVZPJRFL-LBPRGKRZSA-N 2 0 228.380 1.611 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CC2(COC2)C1 ZINC001258907954 991898208 /nfs/dbraw/zinc/89/82/08/991898208.db2.gz PBAXZXFWHOLBQW-ZDUSSCGKSA-N 2 0 240.391 1.829 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@@H](O)C[C@H]1C ZINC001258908641 991901658 /nfs/dbraw/zinc/90/16/58/991901658.db2.gz ZJDZUNCLSQKLAG-MCIONIFRSA-N 2 0 242.407 1.952 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CC(O)C1 ZINC001258908066 991902062 /nfs/dbraw/zinc/90/20/62/991902062.db2.gz QMFRIPXRVAZEST-NSHDSACASA-N 2 0 214.353 1.173 20 0 BDADRP CC[NH2+][C@H](CNC(=O)CCC[NH+](C)C)C(C)C ZINC001568461361 992170612 /nfs/dbraw/zinc/17/06/12/992170612.db2.gz UIBRVDULEVAVEX-GFCCVEGCSA-N 2 0 243.395 1.079 20 0 BDADRP CC[N@@H+]1CCC[C@H](CN[C@@H](C)[C@H]2CCC[NH2+]2)C1 ZINC001261423343 992294884 /nfs/dbraw/zinc/29/48/84/992294884.db2.gz UGVPDPYYQKUMKK-BFHYXJOUSA-N 2 0 239.407 1.448 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC001262201700 992795708 /nfs/dbraw/zinc/79/57/08/992795708.db2.gz CUZAXYFDIVNSFS-AAVRWANBSA-N 2 0 240.391 1.779 20 0 BDADRP C(C1=NOCC1)[NH+]1CCC2(CC[NH2+]CC2)CC1 ZINC001574794572 992907001 /nfs/dbraw/zinc/90/70/01/992907001.db2.gz DYAYHGWPVIYCRA-UHFFFAOYSA-N 2 0 237.347 1.228 20 0 BDADRP C([NH2+]CC1C[NH2+]C1)[C@@H]1C[C@H]1C1CCCC1 ZINC001574796600 992911107 /nfs/dbraw/zinc/91/11/07/992911107.db2.gz YIZCOLQTZBNJDQ-STQMWFEESA-N 2 0 208.349 1.622 20 0 BDADRP C([NH2+][C@@H]1C[C@@H]2COC[C@H]12)[C@]12CCC[C@H]1[NH2+]CC2 ZINC001574816304 992918789 /nfs/dbraw/zinc/91/87/89/992918789.db2.gz CJXFUQTXSQQZJQ-XVIXHAIJSA-N 2 0 236.359 1.143 20 0 BDADRP C=Cn1cc(C[NH2+]C[C@H]2CC[C@@H]([NH3+])C2)cn1 ZINC001574962032 992950094 /nfs/dbraw/zinc/95/00/94/992950094.db2.gz DDJJQUHGRRQZGE-CMPLNLGQSA-N 2 0 220.320 1.201 20 0 BDADRP CC(=O)OC1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC001575029167 992968889 /nfs/dbraw/zinc/96/88/89/992968889.db2.gz JUGUOBBBYHZTEE-GFCCVEGCSA-N 2 0 240.347 1.014 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])C[NH2+][C@H]1C[C@H](O)C1 ZINC001575130215 992993798 /nfs/dbraw/zinc/99/37/98/992993798.db2.gz GYOQSDOHUODMMI-DCAQKATOSA-N 2 0 214.353 1.253 20 0 BDADRP CC(C)(C)OC(=O)C1CC([NH2+][C@H]2C[C@H]([NH3+])C2)C1 ZINC001575152773 992997191 /nfs/dbraw/zinc/99/71/91/992997191.db2.gz IJWVWPYMSHGNBI-FVDFVZEOSA-N 2 0 240.347 1.186 20 0 BDADRP CC(C)(C)O[C@H]1C[C@H]([NH2+]C2CC3(C[C@@H]3[NH3+])C2)C1 ZINC001575251974 993000448 /nfs/dbraw/zinc/00/04/48/993000448.db2.gz FSWJUGLHKWZFOD-BLMOIABJSA-N 2 0 238.375 1.802 20 0 BDADRP CC(C)(C)OC(=O)CC[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC001575161145 993000674 /nfs/dbraw/zinc/00/06/74/993000674.db2.gz WINLFMHETPAMLF-NXEZZACHSA-N 2 0 242.363 1.434 20 0 BDADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCC[C@H]1CCO1 ZINC001575453937 993047357 /nfs/dbraw/zinc/04/73/57/993047357.db2.gz XPHKLHDWOYFACY-STQMWFEESA-N 2 0 228.380 1.861 20 0 BDADRP CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@@]1(O)CC[NH2+]C1 ZINC001575499838 993060426 /nfs/dbraw/zinc/06/04/26/993060426.db2.gz YCUNDKUPIOCRLD-YNEHKIRRSA-N 2 0 226.364 1.125 20 0 BDADRP CC(C)CC[C@H](O)C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(C)C1 ZINC001575566301 993072801 /nfs/dbraw/zinc/07/28/01/993072801.db2.gz UIUGYFFVJYMVFL-RDBSUJKOSA-N 2 0 240.391 1.325 20 0 BDADRP CC(C)CNC(=O)CCC[N@H+](C)CC(C)(C)[NH3+] ZINC001575599014 993080684 /nfs/dbraw/zinc/08/06/84/993080684.db2.gz BTRASSULTYWFLA-UHFFFAOYSA-N 2 0 243.395 1.208 20 0 BDADRP CC(C)N1CCC[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC001575699737 993099366 /nfs/dbraw/zinc/09/93/66/993099366.db2.gz KJYIXTQSZOYVBW-UONOGXRCSA-N 2 0 239.407 1.530 20 0 BDADRP CC(C)[NH2+]CC(=O)Nc1ccc2c[nH+]cn2c1 ZINC001575727385 993101930 /nfs/dbraw/zinc/10/19/30/993101930.db2.gz ACCPGWUFIFUZFO-UHFFFAOYSA-N 2 0 232.287 1.271 20 0 BDADRP CC(C)[NH2+][C@@H]1CCCN(C[C@H]2CCC[NH2+]2)C1 ZINC001575721927 993102078 /nfs/dbraw/zinc/10/20/78/993102078.db2.gz CATZMJSHXMMJFW-CHWSQXEVSA-N 2 0 225.380 1.201 20 0 BDADRP CC(C)[C@@H]1C[C@H]1[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC001575831236 993109911 /nfs/dbraw/zinc/10/99/11/993109911.db2.gz GEOJWMPEPJSDFR-QCNOEVLYSA-N 2 0 208.349 1.890 20 0 BDADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC001263107155 993118329 /nfs/dbraw/zinc/11/83/29/993118329.db2.gz PGBFAMSSXDYJFE-QCNOEVLYSA-N 2 0 241.379 1.007 20 0 BDADRP C[C@@H](CC(C)(C)O)[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001575932098 993128516 /nfs/dbraw/zinc/12/85/16/993128516.db2.gz OEINLWDMHZOALT-GWFPEYJASA-N 2 0 212.337 1.005 20 0 BDADRP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+][C@@H]1CCC[C@H]1O ZINC001575940975 993133025 /nfs/dbraw/zinc/13/30/25/993133025.db2.gz GBDKGURQSMNWQY-IRCOFANPSA-N 2 0 212.337 1.020 20 0 BDADRP C[C@@H](CCCO)C[NH2+]C[C@H](N)CC(F)(F)F ZINC001575954190 993138906 /nfs/dbraw/zinc/13/89/06/993138906.db2.gz QXYVSHPBYMMDIK-DTWKUNHWSA-N 2 0 242.285 1.264 20 0 BDADRP C[C@H](CCCO)C[NH2+]C[C@@H](N)CC(F)(F)F ZINC001575954189 993139055 /nfs/dbraw/zinc/13/90/55/993139055.db2.gz QXYVSHPBYMMDIK-BDAKNGLRSA-N 2 0 242.285 1.264 20 0 BDADRP C[C@H](CNC[C@@H]([NH3+])CC(F)(F)F)C[NH+](C)C ZINC001576032488 993162523 /nfs/dbraw/zinc/16/25/23/993162523.db2.gz FLLNQCXLVHCDFT-BDAKNGLRSA-N 2 0 241.301 1.053 20 0 BDADRP C[C@@H](Cc1ccno1)[NH2+]CC1([NH3+])CCC1 ZINC001576066397 993170067 /nfs/dbraw/zinc/17/00/67/993170067.db2.gz NUNIJEWZNCJNTR-VIFPVBQESA-N 2 0 209.293 1.077 20 0 BDADRP C[C@@H](Cc1ccno1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC001576067760 993170444 /nfs/dbraw/zinc/17/04/44/993170444.db2.gz ZXYDDXVHUVEPEZ-QWRGUYRKSA-N 2 0 223.320 1.337 20 0 BDADRP C[C@H](C(=O)Nc1ccc(C(C)(C)[NH3+])cc1)[NH+](C)C ZINC001263258022 993193128 /nfs/dbraw/zinc/19/31/28/993193128.db2.gz JWTXKHHXHAUCAK-SNVBAGLBSA-N 2 0 249.358 1.769 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CC[C@@H]([NH3+])C1)c1ccn(C)n1 ZINC001576245107 993231430 /nfs/dbraw/zinc/23/14/30/993231430.db2.gz NOJRKGQPNAAZAE-OUAUKWLOSA-N 2 0 222.336 1.198 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CC[C@@H]([NH3+])C1)c1ccnn1C ZINC001576246439 993232491 /nfs/dbraw/zinc/23/24/91/993232491.db2.gz WIWFGKCGNLYWGL-GARJFASQSA-N 2 0 222.336 1.198 20 0 BDADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)[C@H]1COC(C)(C)O1 ZINC001576246247 993233619 /nfs/dbraw/zinc/23/36/19/993233619.db2.gz VEIBKPKLRIXTEY-GHMZBOCLSA-N 2 0 242.363 1.245 20 0 BDADRP C[C@H]([C@H](C)O)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC001576264396 993242496 /nfs/dbraw/zinc/24/24/96/993242496.db2.gz JZGVUHVZOVBZIG-MDZLAQPJSA-N 2 0 226.364 1.077 20 0 BDADRP CC[NH+](CC)C[C@@H](O)C[N@H+](C)CC1CC1 ZINC000379792410 993279784 /nfs/dbraw/zinc/27/97/84/993279784.db2.gz JNUTYUXQCKXPHH-LBPRGKRZSA-N 2 0 214.353 1.031 20 0 BDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1ccc2c[nH]nc2c1 ZINC001576380284 993287388 /nfs/dbraw/zinc/28/73/88/993287388.db2.gz MLAOSNRUNMXPEK-STQMWFEESA-N 2 0 244.342 1.778 20 0 BDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC001576380544 993287826 /nfs/dbraw/zinc/28/78/26/993287826.db2.gz UIEAJUYJQOFYEU-ZOBORPQBSA-N 2 0 246.354 1.360 20 0 BDADRP CC1(C)C[C@@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])CO1 ZINC001576394163 993296810 /nfs/dbraw/zinc/29/68/10/993296810.db2.gz NKKKPVHVGYEZIO-GMTAPVOTSA-N 2 0 212.337 1.413 20 0 BDADRP [NH3+]C[C@H]1CCCC[N@@H+]([C@@H]2CCCSC2)C1 ZINC000379936049 993297056 /nfs/dbraw/zinc/29/70/56/993297056.db2.gz XIHSAGLUKUFPAT-VXGBXAGGSA-N 2 0 228.405 1.943 20 0 BDADRP [NH3+]C[C@H]1CCCC[N@@H+]([C@H]2CCCSC2)C1 ZINC000379936046 993298388 /nfs/dbraw/zinc/29/83/88/993298388.db2.gz XIHSAGLUKUFPAT-NEPJUHHUSA-N 2 0 228.405 1.943 20 0 BDADRP CC1(C)CC[C@@H](O)[C@H]([NH2+]C2CC3(C[C@@H]3[NH3+])C2)C1 ZINC001576446226 993308923 /nfs/dbraw/zinc/30/89/23/993308923.db2.gz NDWXMERNHNVKNK-BBVFQPELSA-N 2 0 238.375 1.395 20 0 BDADRP CC1(C)C[NH2+][C@@H]1C(=O)Nc1ccc2c[nH+]cn2c1 ZINC001576468654 993316898 /nfs/dbraw/zinc/31/68/98/993316898.db2.gz ASSDJWXDKJKXLW-LLVKDONJSA-N 2 0 244.298 1.271 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+][C@H](C)CCO ZINC000380171896 993317615 /nfs/dbraw/zinc/31/76/15/993317615.db2.gz HWZKNEFAFSJTHI-NWDGAFQWSA-N 2 0 216.369 1.467 20 0 BDADRP CC1(C)CO[C@@H](CC[NH2+]C2CC3(C[C@@H]3[NH3+])C2)C1 ZINC001576484218 993320352 /nfs/dbraw/zinc/32/03/52/993320352.db2.gz PJZPUYSCCGNTFW-ATJQQHLPSA-N 2 0 238.375 1.661 20 0 BDADRP CC1(C)OCC[C@@H]1[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576495794 993321944 /nfs/dbraw/zinc/32/19/44/993321944.db2.gz VKXLVGBAOBMBOE-AXFHLTTASA-N 2 0 212.337 1.271 20 0 BDADRP CC1(C)[C@H]2[C@H](CCC[N@@H+]2C[C@H]2CC[NH2+]C2)[C@@H]1O ZINC001576495417 993322082 /nfs/dbraw/zinc/32/20/82/993322082.db2.gz TWCAUYLVVLXFPE-RVMXOQNASA-N 2 0 238.375 1.077 20 0 BDADRP C[C@]1(C[NH2+][C@H]2C[C@@H]3COC[C@@H]32)CCC[NH2+]C1 ZINC001576518558 993328797 /nfs/dbraw/zinc/32/87/97/993328797.db2.gz AIJMMCHDOORUFG-VOAKCMCISA-N 2 0 224.348 1.001 20 0 BDADRP C[C@]1(C[NH2+][C@H]2C[C@H](C[NH3+])C2)CCCCO1 ZINC001576526499 993329321 /nfs/dbraw/zinc/32/93/21/993329321.db2.gz UGEXCXYGYUDNLZ-IJLUTSLNSA-N 2 0 212.337 1.273 20 0 BDADRP C[C@]1(C[NH2+]C[C@H]2OCc3ccccc32)CC[NH2+]C1 ZINC001576518816 993329380 /nfs/dbraw/zinc/32/93/80/993329380.db2.gz HLZLRXODPXWOEN-CABCVRRESA-N 2 0 246.354 1.847 20 0 BDADRP CC[NH+](CC)C[C@@H](O)C[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000380395222 993329624 /nfs/dbraw/zinc/32/96/24/993329624.db2.gz JAEYWRIBGVIFEX-UPJWGTAASA-N 2 0 240.391 1.277 20 0 BDADRP CC12CC(C[NH2+][C@@H]3CCCC[C@H]3[NH3+])(C1)CO2 ZINC001576554202 993342960 /nfs/dbraw/zinc/34/29/60/993342960.db2.gz RIUMGQMFWNWXLS-OKZRHMCRSA-N 2 0 224.348 1.415 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(C)C2)CCO1 ZINC001576598208 993363850 /nfs/dbraw/zinc/36/38/50/993363850.db2.gz MQTIPJUNQRBBRM-SYQHCUMBSA-N 2 0 238.375 1.343 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+]C[C@@]2(C)CCCCO2)CC[NH2+]1 ZINC001576599386 993364534 /nfs/dbraw/zinc/36/45/34/993364534.db2.gz UMEQLHYSSFRECF-MGPQQGTHSA-N 2 0 240.391 1.923 20 0 BDADRP COC1(C)CC[NH+]([C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000381089653 993368824 /nfs/dbraw/zinc/36/88/24/993368824.db2.gz USXPBUOLJIPYSE-NWDGAFQWSA-N 2 0 226.364 1.628 20 0 BDADRP COc1ccncc1CN1CCCC[C@@H](C[NH3+])C1 ZINC000381222506 993380677 /nfs/dbraw/zinc/38/06/77/993380677.db2.gz GKWRIAFQPBBELL-LBPRGKRZSA-N 2 0 249.358 1.651 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc(N)n3)C[C@@H]2C1 ZINC000381245220 993382126 /nfs/dbraw/zinc/38/21/26/993382126.db2.gz LCJLALIQQJAGND-NEPJUHHUSA-N 2 0 246.358 1.047 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+]C2CC3(C[C@H]3[NH3+])C2)O1 ZINC001576649973 993384078 /nfs/dbraw/zinc/38/40/78/993384078.db2.gz JHAAKXHMIMDQGS-VCODAQAJSA-N 2 0 210.321 1.023 20 0 BDADRP C[C@@H]1CCC[C@H](C[NH2+]CC2C[NH2+]C2)[C@H]1C ZINC001576678341 993390931 /nfs/dbraw/zinc/39/09/31/993390931.db2.gz NHAWQXVTOBYXRO-NTZNESFSSA-N 2 0 210.365 1.868 20 0 BDADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NCC(C)(C)[NH3+] ZINC001576705515 993399791 /nfs/dbraw/zinc/39/97/91/993399791.db2.gz TVODZHGBMHJFCQ-VXGBXAGGSA-N 2 0 227.396 1.434 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C[C@@H]1CO ZINC001576728989 993405026 /nfs/dbraw/zinc/40/50/26/993405026.db2.gz BKTZFCILYQWLCP-MGPQQGTHSA-N 2 0 240.391 1.326 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC001576755041 993414018 /nfs/dbraw/zinc/41/40/18/993414018.db2.gz WNHGKLVPRGTSIK-DEQVHRJGSA-N 2 0 238.375 1.532 20 0 BDADRP COC(=O)CC[C@@H](C)[NH2+]C[C@@H]1CCCN1C ZINC000381701330 993417505 /nfs/dbraw/zinc/41/75/05/993417505.db2.gz IMAHQPIXRRMTHG-MNOVXSKESA-N 2 0 228.336 1.012 20 0 BDADRP C[C@@H]1CSC[C@@H]1[NH2+]C[C@H]1CCCC[NH2+]C1 ZINC001576861233 993438084 /nfs/dbraw/zinc/43/80/84/993438084.db2.gz PINHYFZMFWMHJV-WOPDTQHZSA-N 2 0 228.405 1.717 20 0 BDADRP C[C@H]1CSC[C@@H]1[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC001576860044 993438939 /nfs/dbraw/zinc/43/89/39/993438939.db2.gz FHZIBRVLJXHMOT-RCWTZXSCSA-N 2 0 214.378 1.183 20 0 BDADRP C[C@H]1SCC[C@H]1[NH2+]CCC1([NH3+])CCOCC1 ZINC001576915345 993455052 /nfs/dbraw/zinc/45/50/52/993455052.db2.gz VCNPNBBCHHRKFQ-GHMZBOCLSA-N 2 0 244.404 1.368 20 0 BDADRP Cc1cc(N[C@@H]2CCC[C@H]([NH3+])C2)cc(C)[nH+]1 ZINC000382439787 993459391 /nfs/dbraw/zinc/45/93/91/993459391.db2.gz ZMOMKTCFFQCDQH-NWDGAFQWSA-N 2 0 219.332 1.802 20 0 BDADRP CCC(C)(C)OCC[NH2+]C1CC(CC[NH3+])C1 ZINC001576948242 993461603 /nfs/dbraw/zinc/46/16/03/993461603.db2.gz NFLYCLBLKDUOKL-UHFFFAOYSA-N 2 0 228.380 1.909 20 0 BDADRP CC[C@](C)(C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C)OC ZINC001576949957 993467824 /nfs/dbraw/zinc/46/78/24/993467824.db2.gz WPVBBXSPEMCNBQ-GRYCIOLGSA-N 2 0 214.353 1.247 20 0 BDADRP CC[C@@H](C)[C@@H](C(=O)OC)[NH+]1CCC(C[NH3+])CC1 ZINC001576966782 993472383 /nfs/dbraw/zinc/47/23/83/993472383.db2.gz LIINLVKZYKEKHA-PWSUYJOCSA-N 2 0 242.363 1.245 20 0 BDADRP CC[C@H](C[C@H](C)O)[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001577044328 993486459 /nfs/dbraw/zinc/48/64/59/993486459.db2.gz RFPLLAPMIBURPD-UXGOBAPMSA-N 2 0 212.337 1.005 20 0 BDADRP CCC(CC)(CCO)C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC001577049729 993487883 /nfs/dbraw/zinc/48/78/83/993487883.db2.gz CKPMHHSWZAWEPX-QWHCGFSZSA-N 2 0 242.407 1.892 20 0 BDADRP CCC(CC)(C[NH3+])C[N@H+](C)C1CC(O)C1 ZINC001577050737 993489599 /nfs/dbraw/zinc/48/95/99/993489599.db2.gz AZEKLDWYJXKQAT-UHFFFAOYSA-N 2 0 214.353 1.207 20 0 BDADRP CCC(CC)(C[NH3+])C[NH2+][C@H](C)C[S@](C)=O ZINC001577051829 993490377 /nfs/dbraw/zinc/49/03/77/993490377.db2.gz AKOQUVIUFYPHMV-BMIGLBTASA-N 2 0 234.409 1.108 20 0 BDADRP CCC(CC)(C[NH3+])CNC[C@H](C)[NH+](C)C ZINC001577052057 993490466 /nfs/dbraw/zinc/49/04/66/993490466.db2.gz HRQOMPQHJDUXHH-NSHDSACASA-N 2 0 215.385 1.291 20 0 BDADRP CC[C@H](C[NH2+]C[C@@H](C[NH3+])C(C)C)C(=O)OC ZINC001577091237 993503978 /nfs/dbraw/zinc/50/39/78/993503978.db2.gz ZHUSXJVOKICKHF-GHMZBOCLSA-N 2 0 230.352 1.006 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+]C[C@H](CC(C)C)OC ZINC001577124895 993515307 /nfs/dbraw/zinc/51/53/07/993515307.db2.gz WAOITDBHPLODSB-MNOVXSKESA-N 2 0 202.342 1.374 20 0 BDADRP CCC(O)(CC)C[NH2+]C[C@@H]([NH3+])CC(F)F ZINC001577179221 993534022 /nfs/dbraw/zinc/53/40/22/993534022.db2.gz GOXOYFPWBKZZCT-QMMMGPOBSA-N 2 0 224.295 1.110 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)[C@@H]1CCCCO1 ZINC001577175507 993534079 /nfs/dbraw/zinc/53/40/79/993534079.db2.gz AKPKCSHHBIMZIZ-RDBSUJKOSA-N 2 0 240.391 1.923 20 0 BDADRP CC[C@H]1C[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC001577241141 993554849 /nfs/dbraw/zinc/55/48/49/993554849.db2.gz QHKWTWJUQUWEFN-WISYIIOYSA-N 2 0 212.337 1.142 20 0 BDADRP CC[C@@H]1CCC[C@H]([NH2+]C[C@@]2(O)CC[NH2+]C2)C1 ZINC001577246886 993562286 /nfs/dbraw/zinc/56/22/86/993562286.db2.gz VKVXHCNFAYLUBW-FRRDWIJNSA-N 2 0 226.364 1.269 20 0 BDADRP CCCC(CCC)[NH2+]C[C@@]1(O)CC[NH2+]C1 ZINC001577354270 993607606 /nfs/dbraw/zinc/60/76/06/993607606.db2.gz ZRRUENCBFWTUIA-GFCCVEGCSA-N 2 0 214.353 1.269 20 0 BDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)[NH2+]CC ZINC001577444549 993665514 /nfs/dbraw/zinc/66/55/14/993665514.db2.gz AKGBIQRHQHKFFU-VXGBXAGGSA-N 2 0 243.395 1.221 20 0 BDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC001577510248 993675792 /nfs/dbraw/zinc/67/57/92/993675792.db2.gz HKULHHNMDDQFAJ-IJLUTSLNSA-N 2 0 243.395 1.206 20 0 BDADRP CCCN(CC)C[C@H](C)[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001577510318 993677722 /nfs/dbraw/zinc/67/77/22/993677722.db2.gz KCEOTHWGZWJGAS-RJZJGCCBSA-N 2 0 239.407 1.576 20 0 BDADRP CCCN(CCC[NH+](C)C)C(=O)[C@H](C)[C@H](C)[NH3+] ZINC001577519757 993677732 /nfs/dbraw/zinc/67/77/32/993677732.db2.gz VNEZSBDSHIYHDJ-NEPJUHHUSA-N 2 0 243.395 1.160 20 0 BDADRP CCCN1CCC[C@H]1C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC001577535771 993681679 /nfs/dbraw/zinc/68/16/79/993681679.db2.gz HMSKBFBYBWFGKO-MJBXVCDLSA-N 2 0 239.407 1.578 20 0 BDADRP CCCn1cncc1C[NH2+]CC1CC[NH2+]CC1 ZINC001577625017 993700275 /nfs/dbraw/zinc/70/02/75/993700275.db2.gz WCOPCORTKAYPPE-UHFFFAOYSA-N 2 0 236.363 1.382 20 0 BDADRP CC[NH+]1CCC(n2cnc3c2C[NH2+]CC3)CC1 ZINC000387327789 993704128 /nfs/dbraw/zinc/70/41/28/993704128.db2.gz CNTXWBILUOCWKL-UHFFFAOYSA-N 2 0 234.347 1.186 20 0 BDADRP CC[N@H+](C)[C@@H]1CCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC001577655034 993711895 /nfs/dbraw/zinc/71/18/95/993711895.db2.gz PFQWMDIEAPFORY-CHWSQXEVSA-N 2 0 225.380 1.012 20 0 BDADRP [NH3+]C[C@H]1CCCC[N@H+](Cc2ccco2)C1 ZINC000389642735 993757972 /nfs/dbraw/zinc/75/79/72/993757972.db2.gz RGBPMVZWFGOYTQ-LLVKDONJSA-N 2 0 208.305 1.840 20 0 BDADRP CC[N@@H+]1CC[C@@H](n2cncc2C2CC[NH2+]CC2)C1 ZINC000389667414 993760297 /nfs/dbraw/zinc/76/02/97/993760297.db2.gz UHQJQFIIPRBSCD-CYBMUJFWSA-N 3 0 248.374 1.617 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCCSC1 ZINC000822127075 994416552 /nfs/dbraw/zinc/41/65/52/994416552.db2.gz FFAKEAJWNZEFFH-VXGBXAGGSA-N 2 0 228.405 1.956 20 0 BDADRP CC(C)(C)C[N@H+](CCO)CC(C)(C)[NH3+] ZINC000379826085 398169658 /nfs/dbraw/zinc/16/96/58/398169658.db2.gz WROVOHUBMLYZIO-UHFFFAOYSA-N 2 0 202.342 1.064 20 0 BDADRP CC[NH+]1CCC([NH2+]CCCC2(O)CCC2)CC1 ZINC000421377023 192323126 /nfs/dbraw/zinc/32/31/26/192323126.db2.gz HDHIZUYPHVSFAK-UHFFFAOYSA-N 2 0 240.391 1.756 20 0 BDADRP CCc1nnc([C@H](C)[NH2+][C@@H](C)CCCC[NH3+])[nH]1 ZINC000423021512 398162149 /nfs/dbraw/zinc/16/21/49/398162149.db2.gz FNDSFGJYUILOJZ-UWVGGRQHSA-N 2 0 239.367 1.535 20 0 BDADRP OC[C@H](CC1CCCC1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000423022695 398162306 /nfs/dbraw/zinc/16/23/06/398162306.db2.gz IEXIUSZEVLFIDS-KGLIPLIRSA-N 2 0 240.391 1.659 20 0 BDADRP C[C@H](C[N@H+](C)CCN1CC[NH2+]CC1)C(C)(C)C ZINC000379730268 398164151 /nfs/dbraw/zinc/16/41/51/398164151.db2.gz LYMBQUZCJKRIKX-CYBMUJFWSA-N 2 0 241.423 1.506 20 0 BDADRP COC[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)C(C)C ZINC000423327078 398166317 /nfs/dbraw/zinc/16/63/17/398166317.db2.gz LAXBZELUTFBZHZ-CHWSQXEVSA-N 2 0 228.380 1.637 20 0 BDADRP C[C@H](CC(N)=O)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000341984273 398186456 /nfs/dbraw/zinc/18/64/56/398186456.db2.gz YMQGZVIUJBWUDV-GHMZBOCLSA-N 2 0 243.395 1.206 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCS[C@H]1C ZINC000380364205 398196289 /nfs/dbraw/zinc/19/62/89/398196289.db2.gz ZWXFRUCQDOXZDY-GARJFASQSA-N 2 0 232.393 1.224 20 0 BDADRP Cc1cc(N2CC[C@@H]([NH+]3CC=CC3)C2)cc[nH+]1 ZINC000274898550 178117536 /nfs/dbraw/zinc/11/75/36/178117536.db2.gz KRCOKSBRCRXYHQ-CQSZACIVSA-N 2 0 229.327 1.841 20 0 BDADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCOC1 ZINC000069720628 398213562 /nfs/dbraw/zinc/21/35/62/398213562.db2.gz BIPLKOCMJCGGSZ-STQMWFEESA-N 2 0 226.364 1.616 20 0 BDADRP Cc1cc(NC2CC[NH+](C)CC2)cc[nH+]1 ZINC000229561420 178155264 /nfs/dbraw/zinc/15/52/64/178155264.db2.gz CTJQUCWLRCHSPG-UHFFFAOYSA-N 2 0 205.305 1.896 20 0 BDADRP CC[NH2+]CCCNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000576373749 365579825 /nfs/dbraw/zinc/57/98/25/365579825.db2.gz RSBWTEQFLHQUDF-AAEUAGOBSA-N 2 0 241.379 1.010 20 0 BDADRP C[N@H+](C[C@@H](O)C[NH3+])C[C@@H]1CCCC(C)(C)C1 ZINC000576368567 365580278 /nfs/dbraw/zinc/58/02/78/365580278.db2.gz AZUFOLSIVXYRQC-NEPJUHHUSA-N 2 0 228.380 1.454 20 0 BDADRP Cc1cc(NCC2([NH+](C)C)CCOCC2)cc[nH+]1 ZINC000274390002 178157193 /nfs/dbraw/zinc/15/71/93/178157193.db2.gz VFVSLAIFRNYAKO-UHFFFAOYSA-N 2 0 249.358 1.913 20 0 BDADRP c1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]C2)nc1 ZINC000649411670 398212991 /nfs/dbraw/zinc/21/29/91/398212991.db2.gz PWIZTKUDHSGLQK-OCCSQVGLSA-N 2 0 231.343 1.828 20 0 BDADRP Cc1cc(NC[C@@H](C)C[NH+](C)C)cc[nH+]1 ZINC000291897092 178164368 /nfs/dbraw/zinc/16/43/68/178164368.db2.gz PMVIAVXNINQKTR-SNVBAGLBSA-N 2 0 207.321 2.000 20 0 BDADRP CCC(CC)C[N@H+](C)C1CCN(CCO)CC1 ZINC000353362315 168347619 /nfs/dbraw/zinc/34/76/19/168347619.db2.gz YNWNNJZNUIJKDZ-UHFFFAOYSA-N 2 0 242.407 1.811 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)N(CCC)CC[NH+](C)C ZINC000517152235 259302734 /nfs/dbraw/zinc/30/27/34/259302734.db2.gz MXRVBZIGHCDCNV-GFCCVEGCSA-N 2 0 243.395 1.175 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000132974185 398232916 /nfs/dbraw/zinc/23/29/16/398232916.db2.gz LJEVZWOJDREIBG-MDZLAQPJSA-N 2 0 241.379 1.103 20 0 BDADRP CC(C)[C@@H]([NH3+])C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000430778173 398230335 /nfs/dbraw/zinc/23/03/35/398230335.db2.gz PCJVPRNVXWPGBN-GHMZBOCLSA-N 2 0 243.395 1.062 20 0 BDADRP O[C@H](C[NH2+]CC1=CCCCC1)C[NH+]1CCCC1 ZINC000379789698 361765488 /nfs/dbraw/zinc/76/54/88/361765488.db2.gz AZFNFZSFELRYQW-CQSZACIVSA-N 2 0 238.375 1.533 20 0 BDADRP CC[N@@H+]1CCC[C@H]1CN(C)C[C@@H]1CCC[NH2+]C1 ZINC000092629281 398235795 /nfs/dbraw/zinc/23/57/95/398235795.db2.gz BZFXQSKQESIMKI-KGLIPLIRSA-N 2 0 239.407 1.402 20 0 BDADRP CC[C@@H](C)[C@@H](C[NH2+]CCC[NH+](C)C)OC ZINC000381267029 398242760 /nfs/dbraw/zinc/24/27/60/398242760.db2.gz GNZJKDRBUSRXFK-VXGBXAGGSA-N 2 0 216.369 1.589 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCCc3cn[nH]c32)C1 ZINC000576478936 365608100 /nfs/dbraw/zinc/60/81/00/365608100.db2.gz HRRNOARGODNPGL-WOPDTQHZSA-N 2 0 234.347 1.647 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000576584941 365631912 /nfs/dbraw/zinc/63/19/12/365631912.db2.gz PXOWKBNXOUOUHT-RWMBFGLXSA-N 3 0 225.380 1.045 20 0 BDADRP C[C@H]1CCCC[C@@H]1C[NH2+]CCOCC[NH+](C)C ZINC000349190572 398245560 /nfs/dbraw/zinc/24/55/60/398245560.db2.gz KPSBWUCOOOKEQF-UONOGXRCSA-N 2 0 242.407 1.981 20 0 BDADRP CO[C@@H](C)C[N@H+](C[C@@H]1CC[NH2+]C1)C(C)C ZINC000390818951 398250656 /nfs/dbraw/zinc/25/06/56/398250656.db2.gz RZJKQILOYBMZDU-NWDGAFQWSA-N 2 0 214.353 1.341 20 0 BDADRP CC1(C)C[N@H+](CC[C@H]2CC[NH2+]C2)CCCO1 ZINC000381289157 398249573 /nfs/dbraw/zinc/24/95/73/398249573.db2.gz CNMOEJMORWBWEK-GFCCVEGCSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@H]([NH3+])[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000576701957 365663067 /nfs/dbraw/zinc/66/30/67/365663067.db2.gz QBMVRXWMDZHMNN-QWRGUYRKSA-N 2 0 249.358 1.214 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000384396821 398259265 /nfs/dbraw/zinc/25/92/65/398259265.db2.gz OMFBCNYQMIVTFS-AGIUHOORSA-N 2 0 228.380 1.467 20 0 BDADRP C[N@H+](CC[C@H]1CCC[NH+]1C)C[C@@H]1CCOC1 ZINC000162169522 349583620 /nfs/dbraw/zinc/58/36/20/349583620.db2.gz XDQHLDHDYZSLRV-QWHCGFSZSA-N 2 0 226.364 1.439 20 0 BDADRP FC1(F)C[C@@]12CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC000650514500 398276576 /nfs/dbraw/zinc/27/65/76/398276576.db2.gz MUKKHRNNPGJVRX-LLVKDONJSA-N 2 0 230.302 1.717 20 0 BDADRP C[C@H]([NH2+]CCC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000037210224 538961914 /nfs/dbraw/zinc/96/19/14/538961914.db2.gz HHDVTDLHVCISMQ-LBPRGKRZSA-N 3 0 227.396 1.258 20 0 BDADRP C[C@]1(C[NH+]2C[C@H]3CCC[C@@H]3C2)CC[NH2+]C1 ZINC000126296005 398281224 /nfs/dbraw/zinc/28/12/24/398281224.db2.gz NAWATUIMPMSIED-UPJWGTAASA-N 2 0 208.349 1.718 20 0 BDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000583937440 342728594 /nfs/dbraw/zinc/72/85/94/342728594.db2.gz NCVIGRJXTAOGCY-GRYCIOLGSA-N 2 0 241.379 1.103 20 0 BDADRP CC[NH+]1CCC(C[NH2+]Cc2cc(C)no2)CC1 ZINC000383731541 342737722 /nfs/dbraw/zinc/73/77/22/342737722.db2.gz HBVVBQFRONAJON-UHFFFAOYSA-N 2 0 237.347 1.805 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C2CCC(C[NH3+])CC2)CS1 ZINC000335611710 136237010 /nfs/dbraw/zinc/23/70/10/136237010.db2.gz IHUASAGZTHHTPX-HBIQZDMRSA-N 2 0 228.405 1.988 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622003649 398283975 /nfs/dbraw/zinc/28/39/75/398283975.db2.gz CYNGGMGXAGRUAE-FRRDWIJNSA-N 2 0 225.380 1.173 20 0 BDADRP COCCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401080265 488181725 /nfs/dbraw/zinc/18/17/25/488181725.db2.gz QZEKYWUXGYGNHB-YNEHKIRRSA-N 2 0 226.364 1.391 20 0 BDADRP CC[NH+]1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000107981761 539027639 /nfs/dbraw/zinc/02/76/39/539027639.db2.gz MOOZDTMQPIICQG-ZDUSSCGKSA-N 2 0 225.380 1.014 20 0 BDADRP CC[NH+]1CCC(N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000335637608 136243096 /nfs/dbraw/zinc/24/30/96/136243096.db2.gz PYUQSIGFJLBHCS-YPMHNXCESA-N 2 0 225.380 1.058 20 0 BDADRP CC(C)[NH+]1CCC(N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000335637674 136243110 /nfs/dbraw/zinc/24/31/10/136243110.db2.gz QQWRJSMMRHHCQE-JSGCOSHPSA-N 2 0 239.407 1.447 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)C2CC[NH2+]CC2)cc1 ZINC000583995726 342863504 /nfs/dbraw/zinc/86/35/04/342863504.db2.gz WBDCFRDUXRLNTN-UHFFFAOYSA-N 2 0 247.342 1.344 20 0 BDADRP CC(C)COCC[NH+]1CCC(CC[NH3+])CC1 ZINC000232654757 342869075 /nfs/dbraw/zinc/86/90/75/342869075.db2.gz USXKWEFDULNVFK-UHFFFAOYSA-N 2 0 228.380 1.720 20 0 BDADRP CO[C@H](C[NH2+]C[C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000382156181 398308018 /nfs/dbraw/zinc/30/80/18/398308018.db2.gz RILCYBSFLDJYGJ-WCQYABFASA-N 2 0 226.364 1.343 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000300396540 259326980 /nfs/dbraw/zinc/32/69/80/259326980.db2.gz KIDRBXFJROLEMH-RWMBFGLXSA-N 2 0 228.380 1.643 20 0 BDADRP Cc1ccncc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000167234495 136244563 /nfs/dbraw/zinc/24/45/63/136244563.db2.gz LUCPMMCTIPNALR-GFCCVEGCSA-N 2 0 219.332 1.479 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@@H]2CC[C@H](C)O2)CC1 ZINC000148614330 398313502 /nfs/dbraw/zinc/31/35/02/398313502.db2.gz JQWACMFEIQKXHW-AAEUAGOBSA-N 2 0 226.364 1.628 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H](C)CCCC[NH3+] ZINC000494703850 529464500 /nfs/dbraw/zinc/46/45/00/529464500.db2.gz OYFUEAHYJQITMR-TUAOUCFPSA-N 2 0 241.379 1.008 20 0 BDADRP C[N@H+]1CC=C(C[NH2+]CCC2CCOCC2)CC1 ZINC000392855869 398335688 /nfs/dbraw/zinc/33/56/88/398335688.db2.gz KGEPBXAKAXBMEK-UHFFFAOYSA-N 2 0 238.375 1.655 20 0 BDADRP CC[C@H](O)CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000157374918 398340335 /nfs/dbraw/zinc/34/03/35/398340335.db2.gz AFWZLSSTASYXDS-ZDEQEGDKSA-N 2 0 228.380 1.466 20 0 BDADRP CC(C)([NH3+])CC(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000648179251 398341621 /nfs/dbraw/zinc/34/16/21/398341621.db2.gz YEKAHHOWUNJFMN-NSHDSACASA-N 2 0 247.342 1.030 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000394078290 259333758 /nfs/dbraw/zinc/33/37/58/259333758.db2.gz WVNPFRLJWLKJKS-GLQYFDAESA-N 2 0 248.370 1.985 20 0 BDADRP CCc1ccccc1C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313358676 259333867 /nfs/dbraw/zinc/33/38/67/259333867.db2.gz QXVGYXIVFJGDIX-OAHLLOKOSA-N 2 0 248.370 1.799 20 0 BDADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000576814739 365690908 /nfs/dbraw/zinc/69/09/08/365690908.db2.gz UQDJQPVNNFRQLM-BXUZGUMPSA-N 2 0 237.391 1.058 20 0 BDADRP CC[C@@]1(C(=O)N[C@@H](C)CCCC[NH3+])CCC[NH2+]1 ZINC000494670313 529519188 /nfs/dbraw/zinc/51/91/88/529519188.db2.gz DZAFMCPIKIWNOL-AAEUAGOBSA-N 2 0 241.379 1.152 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C(C)(C)O)CC[N@@H+]1C ZINC000393600198 323028756 /nfs/dbraw/zinc/02/87/56/323028756.db2.gz PYDJHCYUHRDNTO-RYUDHWBXSA-N 2 0 242.407 1.856 20 0 BDADRP CN1CCO[C@@H](CSC[C@@H]2CC[N@H+](C)C2)C1 ZINC000518183727 259338405 /nfs/dbraw/zinc/33/84/05/259338405.db2.gz LMADOBUQPMJMSO-VXGBXAGGSA-N 2 0 244.404 1.002 20 0 BDADRP Cc1nccn1CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000309239528 259342077 /nfs/dbraw/zinc/34/20/77/259342077.db2.gz WHHHQSKQMZOMKZ-NWDGAFQWSA-N 2 0 222.336 1.051 20 0 BDADRP C[N@H+](CCc1ccccc1)C1CC[NH2+]CC1 ZINC000022012593 343035149 /nfs/dbraw/zinc/03/51/49/343035149.db2.gz VMBVZOWXRDYODM-UHFFFAOYSA-N 2 0 218.344 1.913 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H](C)CCCC[NH3+])CC1 ZINC000310499358 259344551 /nfs/dbraw/zinc/34/45/51/259344551.db2.gz HMZMHBSSSHYSLB-CYBMUJFWSA-N 3 0 241.423 1.825 20 0 BDADRP C([NH2+]C(C1CC1)C1CC1)C1CC[NH2+]CC1 ZINC000049237839 343097110 /nfs/dbraw/zinc/09/71/10/343097110.db2.gz YVOVRPBJNGUBSP-UHFFFAOYSA-N 2 0 208.349 1.764 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000224546139 259350175 /nfs/dbraw/zinc/35/01/75/259350175.db2.gz GIKJYUZLIXAAKB-XQQFMLRXSA-N 2 0 228.380 1.467 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400456115 529689820 /nfs/dbraw/zinc/68/98/20/529689820.db2.gz SLIDEUBUZWQPLX-SDDRHHMPSA-N 2 0 214.353 1.268 20 0 BDADRP Fc1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000259000969 343129132 /nfs/dbraw/zinc/12/91/32/343129132.db2.gz MGXDYWJMMUAGKB-LBPRGKRZSA-N 2 0 222.307 1.915 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000400337856 529690746 /nfs/dbraw/zinc/69/07/46/529690746.db2.gz GNCBGPRXOGLXKM-YNEHKIRRSA-N 2 0 227.396 1.447 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC[NH+](C)C)C[C@H](C)O1 ZINC000576908200 365719828 /nfs/dbraw/zinc/71/98/28/365719828.db2.gz WKXLCKVBXOXOFZ-GDNZZTSVSA-N 2 0 214.353 1.484 20 0 BDADRP COC1CCC([NH2+]C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000130042521 343180386 /nfs/dbraw/zinc/18/03/86/343180386.db2.gz ZDQXCJIDXJWQDT-IYXRBSQSSA-N 2 0 240.391 1.875 20 0 BDADRP COCCOCCCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000158951876 343201376 /nfs/dbraw/zinc/20/13/76/343201376.db2.gz SWRUWSZIODJTJA-CHWSQXEVSA-N 2 0 244.379 1.289 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000167533203 343208963 /nfs/dbraw/zinc/20/89/63/343208963.db2.gz CASHCBDAJKVPGG-ZWNOBZJWSA-N 2 0 204.317 1.891 20 0 BDADRP C[C@H]1C[C@@H]1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000336767291 136276160 /nfs/dbraw/zinc/27/61/60/136276160.db2.gz SWGQFYGEIMFQSQ-NWDGAFQWSA-N 2 0 210.365 1.964 20 0 BDADRP Cn1nccc1CC[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000634687415 343241027 /nfs/dbraw/zinc/24/10/27/343241027.db2.gz KLUIQQYLSWDJQN-UHFFFAOYSA-N 2 0 248.374 1.179 20 0 BDADRP C[C@H]1CC[C@@H](C[NH2+][C@@H]2CCCC[C@H]2[NH3+])O1 ZINC000634688022 343245463 /nfs/dbraw/zinc/24/54/63/343245463.db2.gz FUZKZHXYPDVOSE-NNYUYHANSA-N 2 0 212.337 1.413 20 0 BDADRP C[C@H]1CC[C@H](C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)O1 ZINC000634688280 343246342 /nfs/dbraw/zinc/24/63/42/343246342.db2.gz NSJZFQUIVPHELU-IGQOVBAYSA-N 2 0 238.375 1.485 20 0 BDADRP Cc1nccn1CCC[N@@H+](C)CC(C)(C)C[NH3+] ZINC000348744755 136296065 /nfs/dbraw/zinc/29/60/65/136296065.db2.gz CDFACTGCJYXMGI-UHFFFAOYSA-N 2 0 238.379 1.498 20 0 BDADRP Cc1nccn1CCC[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000348757024 136297686 /nfs/dbraw/zinc/29/76/86/136297686.db2.gz SLPZSTJSJRYDPJ-YPMHNXCESA-N 2 0 236.363 1.251 20 0 BDADRP Cc1c[nH+]ccc1NCC[NH+]1CCCC1 ZINC000070047379 343297358 /nfs/dbraw/zinc/29/73/58/343297358.db2.gz CTRDZYFPSARTHZ-UHFFFAOYSA-N 2 0 205.305 1.898 20 0 BDADRP c1cncc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000335631346 136300242 /nfs/dbraw/zinc/30/02/42/136300242.db2.gz AZCSCEKPRAGRGM-HUUCEWRRSA-N 2 0 245.370 1.903 20 0 BDADRP Cn1ccnc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000335635226 136300585 /nfs/dbraw/zinc/30/05/85/136300585.db2.gz SBROSVGWARVCTJ-STQMWFEESA-N 2 0 248.374 1.242 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]Cc2cccc3c[nH]nc32)CC[NH2+]1 ZINC000335637730 136303036 /nfs/dbraw/zinc/30/30/36/136303036.db2.gz HIYLHYJLQBMERZ-GWCFXTLKSA-N 2 0 244.342 1.793 20 0 BDADRP [NH3+]C1(C[NH2+][C@H]2CCCSC2)CCC1 ZINC000335647919 136304397 /nfs/dbraw/zinc/30/43/97/136304397.db2.gz COFOQDLSFARINY-VIFPVBQESA-N 2 0 200.351 1.353 20 0 BDADRP O=C(C[C@@H]1CCC[NH2+]1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000335653881 136306130 /nfs/dbraw/zinc/30/61/30/136306130.db2.gz ODJMXOJTMJXPFG-LBPRGKRZSA-N 2 0 245.326 1.370 20 0 BDADRP c1cc(CN[C@H]2CCCC[NH2+]C2)ccn1 ZINC000335642455 136308825 /nfs/dbraw/zinc/30/88/25/136308825.db2.gz KYKISJDWBQKHKR-LBPRGKRZSA-N 2 0 205.305 1.313 20 0 BDADRP CC(C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000335642344 136309036 /nfs/dbraw/zinc/30/90/36/136309036.db2.gz HWUIMQQLJKQWEB-UHFFFAOYSA-N 2 0 225.380 1.201 20 0 BDADRP COCCCCC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252710004 536878344 /nfs/dbraw/zinc/87/83/44/536878344.db2.gz FKIYHWQJFINXCH-CHWSQXEVSA-N 2 0 228.380 1.733 20 0 BDADRP CCN(C)C[C@H](O)C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000310239975 343399010 /nfs/dbraw/zinc/39/90/10/343399010.db2.gz ILDYMNICSUJSCU-MJBXVCDLSA-N 2 0 240.391 1.421 20 0 BDADRP CC[N@H+](CCC[NH+](C)C)CC[C@@H]1CCOC1 ZINC000349382676 136344059 /nfs/dbraw/zinc/34/40/59/136344059.db2.gz KOFKXEYWIYNCAF-CYBMUJFWSA-N 2 0 228.380 1.687 20 0 BDADRP C[NH+](C)CCC1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000678208234 488216561 /nfs/dbraw/zinc/21/65/61/488216561.db2.gz HAZMKBOMEVSRBL-UHFFFAOYSA-N 2 0 236.363 1.573 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@@H]1CCCOC1 ZINC000082581164 343452347 /nfs/dbraw/zinc/45/23/47/343452347.db2.gz IMPJDIWTPVARNV-RYUDHWBXSA-N 2 0 214.353 1.343 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@H]1CCCOC1 ZINC000082581167 343452541 /nfs/dbraw/zinc/45/25/41/343452541.db2.gz IMPJDIWTPVARNV-VXGBXAGGSA-N 2 0 214.353 1.343 20 0 BDADRP CO[C@H](C)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000167126381 136368269 /nfs/dbraw/zinc/36/82/69/136368269.db2.gz ZBHIFHPBGWIZFP-MXWKQRLJSA-N 2 0 200.326 1.094 20 0 BDADRP CSC[C@@H]1CCC[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261542346 136374355 /nfs/dbraw/zinc/37/43/55/136374355.db2.gz GSWVJVZDUFGBSN-NWDGAFQWSA-N 2 0 228.405 1.813 20 0 BDADRP COCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000086499911 536894757 /nfs/dbraw/zinc/89/47/57/536894757.db2.gz FFWZXGRTPWKHJY-FRRDWIJNSA-N 2 0 226.364 1.533 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+]CCC[NH3+])C12CCC2 ZINC000083684780 343495848 /nfs/dbraw/zinc/49/58/48/343495848.db2.gz PCTQLCSVPWRHAL-MNOVXSKESA-N 2 0 212.337 1.273 20 0 BDADRP CC[N@H+](C)C[C@H](O)CN(C)Cc1ccc(C)o1 ZINC000310535714 343527788 /nfs/dbraw/zinc/52/77/88/343527788.db2.gz PGBNKNDFJYJYSE-LBPRGKRZSA-N 2 0 240.347 1.332 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000310533195 343528016 /nfs/dbraw/zinc/52/80/16/343528016.db2.gz ONNNGKYBOGMUMO-XJFOESAGSA-N 2 0 242.407 1.713 20 0 BDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(C)(C)[NH3+] ZINC000083903411 178545142 /nfs/dbraw/zinc/54/51/42/178545142.db2.gz IIJIEFAEKCPHKS-UHFFFAOYSA-N 2 0 249.358 1.732 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+]C[C@H]2C[C@H]2C)C1 ZINC000309055976 346957210 /nfs/dbraw/zinc/95/72/10/346957210.db2.gz UKDGXTOYUHEIKS-JHJVBQTASA-N 2 0 210.365 1.964 20 0 BDADRP c1nc2c([nH]1)C[N@H+](CCCc1ccncc1)CC2 ZINC000625436238 343733603 /nfs/dbraw/zinc/73/36/03/343733603.db2.gz GUOMZHJEXXRHMM-UHFFFAOYSA-N 2 0 242.326 1.796 20 0 BDADRP CC[NH+]1CCC([NH2+]CC[C@@H](C)F)CC1 ZINC000340464950 343715883 /nfs/dbraw/zinc/71/58/83/343715883.db2.gz JJIHKHVFJIVBJG-SNVBAGLBSA-N 2 0 202.317 1.808 20 0 BDADRP Cc1cnccc1NC(=O)C[C@@H](C)n1ccnc1 ZINC000584175809 343769281 /nfs/dbraw/zinc/76/92/81/343769281.db2.gz MKSOCINJRYIFSE-LLVKDONJSA-N 2 0 244.298 1.598 20 0 BDADRP C[N@@H+](Cc1cccc2nccn21)C[C@@H]1CCCO1 ZINC000179670935 346992671 /nfs/dbraw/zinc/99/26/71/346992671.db2.gz DKXSYZHEXRUDNC-ZDUSSCGKSA-N 2 0 245.326 1.945 20 0 BDADRP C[NH+](C)CCC[N@H+](C)CCC1CCOCC1 ZINC000336686392 537824183 /nfs/dbraw/zinc/82/41/83/537824183.db2.gz WGBCBRJMXWXZFR-UHFFFAOYSA-N 2 0 228.380 1.687 20 0 BDADRP Cc1cc(CN[C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)ccn1 ZINC000621776894 343901092 /nfs/dbraw/zinc/90/10/92/343901092.db2.gz ZKHSLUHPCWAYHL-ZKYQVNSYSA-N 2 0 233.359 1.866 20 0 BDADRP Cc1ccc(CNCc2cnc(N(C)C)n2C)o1 ZINC000070144106 343948562 /nfs/dbraw/zinc/94/85/62/343948562.db2.gz FGMLEFSHBZDMIM-UHFFFAOYSA-N 2 0 248.330 1.677 20 0 BDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)CCCC[NH3+] ZINC000070201708 343948975 /nfs/dbraw/zinc/94/89/75/343948975.db2.gz RIHMHKSDBVTJRW-LBPRGKRZSA-N 2 0 241.379 1.106 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C1 ZINC000634732760 344107713 /nfs/dbraw/zinc/10/77/13/344107713.db2.gz OHMRNOFZLNSXAX-CHWSQXEVSA-N 3 0 239.407 1.354 20 0 BDADRP Cn1cc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cn1 ZINC000634733083 344109052 /nfs/dbraw/zinc/10/90/52/344109052.db2.gz WXDBUHGUCNNOBS-LBPRGKRZSA-N 2 0 236.363 1.288 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000634733510 344113210 /nfs/dbraw/zinc/11/32/10/344113210.db2.gz HEIWQUCYOLASRA-AGIUHOORSA-N 3 0 239.407 1.624 20 0 BDADRP C([NH2+][C@]12CCC[C@@H]1C[NH2+]C2)[C@H]1CCSC1 ZINC000634733555 344113791 /nfs/dbraw/zinc/11/37/91/344113791.db2.gz IGSXZBCIRXOQHJ-UTUOFQBUSA-N 2 0 226.389 1.471 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000634733575 344113983 /nfs/dbraw/zinc/11/39/83/344113983.db2.gz IVAVIEFTWXKPSE-WXRRBKDZSA-N 3 0 239.407 1.624 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000634733767 344114008 /nfs/dbraw/zinc/11/40/08/344114008.db2.gz NIPOSKNKZUIKFE-QWHCGFSZSA-N 3 0 239.407 1.496 20 0 BDADRP C[C@@]1(CN[C@H]2CC[NH2+]CC(C)(C)C2)CC[NH2+]C1 ZINC000634734137 344114648 /nfs/dbraw/zinc/11/46/48/344114648.db2.gz XXOKYEHPVJMEEP-GXTWGEPZSA-N 2 0 239.407 1.354 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000634734160 344114704 /nfs/dbraw/zinc/11/47/04/344114704.db2.gz YJXMZVOKGVEAHX-CHWSQXEVSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000622045220 344230070 /nfs/dbraw/zinc/23/00/70/344230070.db2.gz HTEDGYFNRIRTRE-GARJFASQSA-N 2 0 200.326 1.128 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)CC[NH2+]1 ZINC000622004227 344182100 /nfs/dbraw/zinc/18/21/00/344182100.db2.gz MCEAGRRZZKZLQH-YIYPIFLZSA-N 3 0 237.391 1.188 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@H](C)[C@@H](C)OC ZINC000131853690 344237372 /nfs/dbraw/zinc/23/73/72/344237372.db2.gz OFTNDFBXWVMHHY-VXGBXAGGSA-N 2 0 216.369 1.731 20 0 BDADRP CC(C)([NH3+])CN1CCSC(C)(C)C1 ZINC000220376695 344254069 /nfs/dbraw/zinc/25/40/69/344254069.db2.gz WFCQHHRNBQNMOH-UHFFFAOYSA-N 2 0 202.367 1.551 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCN2C)C1 ZINC000234840052 344273349 /nfs/dbraw/zinc/27/33/49/344273349.db2.gz GLLMOUWCZFDDMB-AGIUHOORSA-N 2 0 226.364 1.628 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000093215624 344312320 /nfs/dbraw/zinc/31/23/20/344312320.db2.gz LDTUMMJGFJDURF-UONOGXRCSA-N 3 0 239.407 1.578 20 0 BDADRP C[N@H+](CCN[C@@H]1CCC[C@H]([NH3+])C1)C1CCCC1 ZINC000093216104 344312544 /nfs/dbraw/zinc/31/25/44/344312544.db2.gz XDLISCMFUQDNKA-QWHCGFSZSA-N 2 0 239.407 1.720 20 0 BDADRP COc1cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)ccn1 ZINC000093216020 344312628 /nfs/dbraw/zinc/31/26/28/344312628.db2.gz GNXVKLAXEHWFNB-NEPJUHHUSA-N 2 0 235.331 1.450 20 0 BDADRP C[N@H+](CCN[C@H]1CCC[C@H]([NH3+])C1)C1CCCC1 ZINC000093216106 344312709 /nfs/dbraw/zinc/31/27/09/344312709.db2.gz XDLISCMFUQDNKA-STQMWFEESA-N 2 0 239.407 1.720 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCOc2ccccc2)C1 ZINC000093215575 344312787 /nfs/dbraw/zinc/31/27/87/344312787.db2.gz NGUVXYXLLWIWLO-STQMWFEESA-N 2 0 234.343 1.925 20 0 BDADRP COC[C@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000133310765 344317446 /nfs/dbraw/zinc/31/74/46/344317446.db2.gz UEANTOOXDPLGQA-QWRGUYRKSA-N 2 0 202.342 1.327 20 0 BDADRP CCOCCC[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000133310153 344317766 /nfs/dbraw/zinc/31/77/66/344317766.db2.gz GGXCYUGRCOAMET-LBPRGKRZSA-N 2 0 216.369 1.718 20 0 BDADRP CN1CCC[C@@H]1C[N@H+](C)CCC1CC[NH2+]CC1 ZINC000092630494 344300059 /nfs/dbraw/zinc/30/00/59/344300059.db2.gz BDVIEZKLGHDJCY-CQSZACIVSA-N 2 0 239.407 1.402 20 0 BDADRP COC[C@H](C)C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000132707831 344306735 /nfs/dbraw/zinc/30/67/35/344306735.db2.gz XWVWYXCDNRVOEB-UTUOFQBUSA-N 2 0 214.353 1.199 20 0 BDADRP CCOC[C@@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000133009662 344310234 /nfs/dbraw/zinc/31/02/34/344310234.db2.gz BPCGSVXIIZWKGY-GHMZBOCLSA-N 2 0 202.342 1.341 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]CCCC[NH+](C)C ZINC000132996597 344310324 /nfs/dbraw/zinc/31/03/24/344310324.db2.gz BIMLRWFSXRFMGL-GHMZBOCLSA-N 2 0 202.342 1.341 20 0 BDADRP COC[C@@H](C)C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000584274225 344374501 /nfs/dbraw/zinc/37/45/01/344374501.db2.gz BLWZZDBIFYQCFU-LBPRGKRZSA-N 2 0 228.380 1.733 20 0 BDADRP Cc1cc(N(C)[C@@H](C[NH3+])C2CC2)nc(C2CC2)n1 ZINC000634811820 344396336 /nfs/dbraw/zinc/39/63/36/344396336.db2.gz RNQUIIMGYCZYHM-LBPRGKRZSA-N 2 0 246.358 1.836 20 0 BDADRP CC1(C)COCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000042463146 344455795 /nfs/dbraw/zinc/45/57/95/344455795.db2.gz LMKOZUVTBMMRSU-UHFFFAOYSA-N 2 0 212.337 1.097 20 0 BDADRP Cc1csc(CNC[C@H]([NH3+])C(C)C)n1 ZINC000049539116 344651813 /nfs/dbraw/zinc/65/18/13/344651813.db2.gz NGTRVTLSTXGZBN-VIFPVBQESA-N 2 0 213.350 1.524 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])CCO1 ZINC000388726925 347068015 /nfs/dbraw/zinc/06/80/15/347068015.db2.gz OHTGEHGETCIJNB-YIYPIFLZSA-N 2 0 240.391 1.909 20 0 BDADRP CCOCCC[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000083552510 133527154 /nfs/dbraw/zinc/52/71/54/133527154.db2.gz BSEVVZKOALXJSR-GFCCVEGCSA-N 2 0 214.353 1.474 20 0 BDADRP Cc1cnccc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000385027913 344799821 /nfs/dbraw/zinc/79/98/21/344799821.db2.gz JSUVIYMKACWBCN-ZNMIVQPWSA-N 2 0 245.370 1.949 20 0 BDADRP CCCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000076683108 344805502 /nfs/dbraw/zinc/80/55/02/344805502.db2.gz JVRIUALGLMKCFE-UHFFFAOYSA-N 2 0 240.391 1.831 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000583441417 344966646 /nfs/dbraw/zinc/96/66/46/344966646.db2.gz APSBHRFSQJJWBK-ZIAGYGMSSA-N 3 0 233.359 1.362 20 0 BDADRP COCC[NH2+]C1CC[NH+](CC2(C)CC2)CC1 ZINC000583444189 344978927 /nfs/dbraw/zinc/97/89/27/344978927.db2.gz QMNHVZPRPPSKIZ-UHFFFAOYSA-N 2 0 226.364 1.487 20 0 BDADRP C[N@@H+]1CCC[C@@H]2CN(Cc3ncc[nH]3)CC[C@H]21 ZINC000247949336 344986232 /nfs/dbraw/zinc/98/62/32/344986232.db2.gz DWVKWFIAPVRZEM-VXGBXAGGSA-N 2 0 234.347 1.326 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCCC[NH+](C)C)CCO1 ZINC000069890704 133535739 /nfs/dbraw/zinc/53/57/39/133535739.db2.gz SSDAACSAHRBDOH-VXGBXAGGSA-N 2 0 214.353 1.485 20 0 BDADRP CCCC[C@@H](C)[NH2+]C[C@H]1CNCCO1 ZINC000050890002 345024860 /nfs/dbraw/zinc/02/48/60/345024860.db2.gz RCYQSUJNGNXFOD-GHMZBOCLSA-N 2 0 200.326 1.143 20 0 BDADRP CC[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)C1CC1 ZINC000155110642 345070420 /nfs/dbraw/zinc/07/04/20/345070420.db2.gz BTJKNZRYMSFFTJ-OCCSQVGLSA-N 2 0 239.407 1.401 20 0 BDADRP CC(C)C[C@H](CO)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156059157 345122659 /nfs/dbraw/zinc/12/26/59/345122659.db2.gz QNPCSHOMKHONFJ-BFHYXJOUSA-N 2 0 240.391 1.610 20 0 BDADRP CC[NH2+]CC1CC[NH+](C[C@H](C[NH3+])C(C)C)CC1 ZINC000634991498 345177416 /nfs/dbraw/zinc/17/74/16/345177416.db2.gz GWNUMIKLROMABR-AWEZNQCLSA-N 3 0 241.423 1.539 20 0 BDADRP c1ccc2c(c1)C[NH2+]CCN2CC12CC(C1)C[NH2+]2 ZINC000634994971 345183356 /nfs/dbraw/zinc/18/33/56/345183356.db2.gz RGQLTOURSGBOOR-UHFFFAOYSA-N 2 0 243.354 1.348 20 0 BDADRP CC(C)[C@@H](C[NH3+])C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000634994979 345183446 /nfs/dbraw/zinc/18/34/46/345183446.db2.gz RKKAVXOSEUVORA-MJBXVCDLSA-N 3 0 239.407 1.149 20 0 BDADRP CC(C)[C@@H](C[NH3+])C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000634995509 345185316 /nfs/dbraw/zinc/18/53/16/345185316.db2.gz HBLVSMJYWKPWDD-QWHCGFSZSA-N 3 0 227.396 1.339 20 0 BDADRP CC(C)[C@H](C[NH3+])C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000634995508 345185467 /nfs/dbraw/zinc/18/54/67/345185467.db2.gz HBLVSMJYWKPWDD-OLZOCXBDSA-N 3 0 227.396 1.339 20 0 BDADRP C(N[C@@H]1CC[NH2+]C2(CCC2)C1)C12CC(C1)C[NH2+]2 ZINC000634996068 345186437 /nfs/dbraw/zinc/18/64/37/345186437.db2.gz YNYXXMUTVZLWGX-MBHSVXNSSA-N 2 0 235.375 1.003 20 0 BDADRP C[C@H]1CCCN(CC23CC(C2)C[NH2+]3)[C@@H]1CC[NH3+] ZINC000634996257 345187651 /nfs/dbraw/zinc/18/76/51/345187651.db2.gz DUTVPSJQPFIFNA-RJZJGCCBSA-N 2 0 237.391 1.188 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccn(C)c2)C[C@H]1C[NH3+] ZINC000634998060 345197313 /nfs/dbraw/zinc/19/73/13/345197313.db2.gz ADALPRJDAZRMAM-ZYHUDNBSSA-N 2 0 207.321 1.052 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635003325 345206164 /nfs/dbraw/zinc/20/61/64/345206164.db2.gz CBNMNGQPVRGRQL-SYQHCUMBSA-N 3 0 239.407 1.482 20 0 BDADRP CC(C)(F)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000635003959 345206972 /nfs/dbraw/zinc/20/69/72/345206972.db2.gz MQLFONHUHHVYNO-OUAUKWLOSA-N 2 0 214.328 1.712 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635004717 345208665 /nfs/dbraw/zinc/20/86/65/345208665.db2.gz DSTLYXCGVLFLHG-STQMWFEESA-N 3 0 241.423 1.872 20 0 BDADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCn3ccnc32)CC1 ZINC000635004978 345209078 /nfs/dbraw/zinc/20/90/78/345209078.db2.gz LBQGRLVEAQKSJL-IJLUTSLNSA-N 2 0 234.347 1.435 20 0 BDADRP Cc1n[nH]cc1[C@@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635005777 345209965 /nfs/dbraw/zinc/20/99/65/345209965.db2.gz KHGFZKBPTMOFJZ-YUSALJHKSA-N 2 0 236.363 1.886 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@H]1N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635007128 345211095 /nfs/dbraw/zinc/21/10/95/345211095.db2.gz ADTYDHRGEOJVPH-FRRDWIJNSA-N 2 0 239.407 1.304 20 0 BDADRP CCOC[C@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635009774 345211995 /nfs/dbraw/zinc/21/19/95/345211995.db2.gz ZKOAUYCVQJLJJW-SRVKXCTJSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1cn[nH]c1 ZINC000635010022 345212087 /nfs/dbraw/zinc/21/20/87/345212087.db2.gz IQTHBQHCCVKQNG-ZYHUDNBSSA-N 2 0 236.363 1.839 20 0 BDADRP C[C@H]([NH2+]Cc1cccc2c1CCOC2)C1C[NH2+]C1 ZINC000635012942 345213115 /nfs/dbraw/zinc/21/31/15/345213115.db2.gz PBXXNMYLBYNRBS-NSHDSACASA-N 2 0 246.354 1.457 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000635011790 345213345 /nfs/dbraw/zinc/21/33/45/345213345.db2.gz HTRCGBOIULGXHX-DJLDLDEBSA-N 2 0 240.269 1.281 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635008809 345216931 /nfs/dbraw/zinc/21/69/31/345216931.db2.gz VPNYAGBXHQBDRA-DDHJBXDOSA-N 2 0 214.353 1.517 20 0 BDADRP CCC(O)(CC)C[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000626111412 345273529 /nfs/dbraw/zinc/27/35/29/345273529.db2.gz NNARTVBXFZTAMJ-CYBMUJFWSA-N 2 0 242.407 1.954 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000053033563 345338482 /nfs/dbraw/zinc/33/84/82/345338482.db2.gz XJBOOIHAQVDJFM-NEPJUHHUSA-N 2 0 212.337 1.097 20 0 BDADRP CCOC[C@H](C)[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000133272776 345367323 /nfs/dbraw/zinc/36/73/23/345367323.db2.gz KPPLEUFQOUGNAK-SRVKXCTJSA-N 2 0 226.364 1.626 20 0 BDADRP CC1(C[NH2+]CCCC[NH+]2CCOCC2)CCC1 ZINC000434763817 537899329 /nfs/dbraw/zinc/89/93/29/537899329.db2.gz LQWRDPOKLDJHAP-UHFFFAOYSA-N 2 0 240.391 1.879 20 0 BDADRP CN(CC[NH3+])Cc1c[nH]nc1-c1ccccc1 ZINC000221189381 345746421 /nfs/dbraw/zinc/74/64/21/345746421.db2.gz QFEUHZYPPPOUPP-UHFFFAOYSA-N 2 0 230.315 1.467 20 0 BDADRP CSC[C@](C)(O)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000300394688 345813950 /nfs/dbraw/zinc/81/39/50/345813950.db2.gz VUIWIJJROVPWOP-GRYCIOLGSA-N 2 0 246.420 1.173 20 0 BDADRP C[C@H]1C[C@H](NC2C[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000307707843 345926344 /nfs/dbraw/zinc/92/63/44/345926344.db2.gz ZVLDAQXNAAUMPE-JSGCOSHPSA-N 2 0 245.370 1.211 20 0 BDADRP C[C@@H]1C[C@@H](NC2C[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000307707845 345926807 /nfs/dbraw/zinc/92/68/07/345926807.db2.gz ZVLDAQXNAAUMPE-TZMCWYRMSA-N 2 0 245.370 1.211 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC2(F)CC2)C1 ZINC000307690101 345901268 /nfs/dbraw/zinc/90/12/68/345901268.db2.gz HOCOGQZPUSZKRD-ZJUUUORDSA-N 2 0 200.301 1.548 20 0 BDADRP CSCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400941380 345931836 /nfs/dbraw/zinc/93/18/36/345931836.db2.gz SOQLCROKLDEOQN-OUAUKWLOSA-N 2 0 214.378 1.327 20 0 BDADRP CC(C)[N@@H+](C)C[C@H](C)N[C@@H]1C[NH+](C)C[C@@H]1C ZINC000381470812 346002860 /nfs/dbraw/zinc/00/28/60/346002860.db2.gz MNWRYBNTBXWADJ-RWMBFGLXSA-N 2 0 227.396 1.255 20 0 BDADRP COC[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)C1CC1 ZINC000090717922 537945262 /nfs/dbraw/zinc/94/52/62/537945262.db2.gz ARSCOEOJDPTUQR-FZMZJTMJSA-N 2 0 240.391 1.731 20 0 BDADRP CC[C@@H]([NH2+]CCC[NH3+])c1ccc(F)cn1 ZINC000161321570 346168734 /nfs/dbraw/zinc/16/87/34/346168734.db2.gz DDHIZOMKTCVIJZ-SNVBAGLBSA-N 2 0 211.284 1.610 20 0 BDADRP CC(C)(C)C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000236617652 346261096 /nfs/dbraw/zinc/26/10/96/346261096.db2.gz DHUHYWJUGQZLQE-ZDUSSCGKSA-N 2 0 242.407 1.859 20 0 BDADRP C[C@H]([NH3+])C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000037901337 346255093 /nfs/dbraw/zinc/25/50/93/346255093.db2.gz QVDOGJPTCIERHN-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP [NH3+]CCCCc1nc(C2([NH3+])CCCC2)no1 ZINC000570631872 346364561 /nfs/dbraw/zinc/36/45/61/346364561.db2.gz SWYYQJVGYXXYDZ-UHFFFAOYSA-N 2 0 224.308 1.079 20 0 BDADRP Cn1cncc1CC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000641797971 362738174 /nfs/dbraw/zinc/73/81/74/362738174.db2.gz BCBQHSBRVPVGEZ-CQSZACIVSA-N 3 0 248.374 1.038 20 0 BDADRP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000300365527 346432585 /nfs/dbraw/zinc/43/25/85/346432585.db2.gz RUQAQXVEMZLEPB-WHOHXGKFSA-N 2 0 212.337 1.413 20 0 BDADRP [NH3+]C[C@H](N[C@@H]1CCC[NH2+]CC1)C1CCCC1 ZINC000333177617 537981510 /nfs/dbraw/zinc/98/15/10/537981510.db2.gz RFBLVVGHDJVAGF-OLZOCXBDSA-N 2 0 225.380 1.236 20 0 BDADRP C[NH2+]CC1CC[NH+](Cc2cc(OC)no2)CC1 ZINC000641796924 362740105 /nfs/dbraw/zinc/74/01/05/362740105.db2.gz MBRNQDBAGPTBLD-UHFFFAOYSA-N 2 0 239.319 1.115 20 0 BDADRP CCc1nocc1CN[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641800437 362751840 /nfs/dbraw/zinc/75/18/40/362751840.db2.gz BJPITHNPVXUEOM-GHMZBOCLSA-N 2 0 223.320 1.452 20 0 BDADRP CCc1nc(C)c(CN[C@@H]2CCCC[C@H]2[NH3+])o1 ZINC000641800598 362751970 /nfs/dbraw/zinc/75/19/70/362751970.db2.gz ZLGXJCOKEPOICN-GHMZBOCLSA-N 2 0 237.347 1.905 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H]2CCCOC2)CC1 ZINC000070014001 349970910 /nfs/dbraw/zinc/97/09/10/349970910.db2.gz WGGRBJUVVNSSPM-ZDUSSCGKSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH3+])N(CCOCC2CC2)[C@@H]1C ZINC000641808329 362763570 /nfs/dbraw/zinc/76/35/70/362763570.db2.gz MWBKRLTYFDWYHG-BZPMIXESSA-N 2 0 240.391 1.861 20 0 BDADRP Cn1cncc1CCC[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641801258 362754782 /nfs/dbraw/zinc/75/47/82/362754782.db2.gz OPFXZRZORBWOAM-RYUDHWBXSA-N 2 0 236.363 1.068 20 0 BDADRP Cn1cncc1CCC[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641801256 362755198 /nfs/dbraw/zinc/75/51/98/362755198.db2.gz OPFXZRZORBWOAM-NEPJUHHUSA-N 2 0 236.363 1.068 20 0 BDADRP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)C[C@H](C)S1 ZINC000069908561 349967906 /nfs/dbraw/zinc/96/79/06/349967906.db2.gz IQBNLJRJNPAIIW-GRYCIOLGSA-N 2 0 228.405 1.812 20 0 BDADRP C[C@@H]1C[NH+](C[C@@H]2CCC[NH2+]C2)C[C@@H](C)S1 ZINC000069908564 349968069 /nfs/dbraw/zinc/96/80/69/349968069.db2.gz IQBNLJRJNPAIIW-IJLUTSLNSA-N 2 0 228.405 1.812 20 0 BDADRP CN(C)c1ccccc1C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641802263 362757981 /nfs/dbraw/zinc/75/79/81/362757981.db2.gz IMYLJDTUCACJIT-ZIAGYGMSSA-N 2 0 247.386 1.968 20 0 BDADRP CN(C)c1ccccc1C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641802261 362758238 /nfs/dbraw/zinc/75/82/38/362758238.db2.gz IMYLJDTUCACJIT-KGLIPLIRSA-N 2 0 247.386 1.968 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000641807764 362765606 /nfs/dbraw/zinc/76/56/06/362765606.db2.gz RWLZKZLYSGIZLE-NEPJUHHUSA-N 2 0 247.342 1.001 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)C1 ZINC000300384616 346575972 /nfs/dbraw/zinc/57/59/72/346575972.db2.gz JFVIRNZTIXDQLG-XQHKEYJVSA-N 2 0 224.348 1.413 20 0 BDADRP Cc1cccc(NC(=O)CN2CC[C@@H](C[NH3+])C2)c1 ZINC000050247100 179127379 /nfs/dbraw/zinc/12/73/79/179127379.db2.gz OGCSZIFASHITRJ-LBPRGKRZSA-N 2 0 247.342 1.214 20 0 BDADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)[C@@H]1CCCO1 ZINC000580196704 346652497 /nfs/dbraw/zinc/65/24/97/346652497.db2.gz ZFCWIMFPMBIPKM-FZMZJTMJSA-N 2 0 234.343 1.802 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]C[C@H]2CCCO2)CC1 ZINC000019963412 187370927 /nfs/dbraw/zinc/37/09/27/187370927.db2.gz YVMJJSXZMOPFPI-CYBMUJFWSA-N 2 0 226.364 1.628 20 0 BDADRP COCC(C)(C)C[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622005081 370655621 /nfs/dbraw/zinc/65/56/21/370655621.db2.gz YIMYEPSBENNWBS-YPMHNXCESA-N 2 0 226.364 1.472 20 0 BDADRP COC[C@H](C)C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622004611 370655930 /nfs/dbraw/zinc/65/59/30/370655930.db2.gz RERXJAPZHUGGHO-IJLUTSLNSA-N 2 0 212.337 1.082 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)[C@H]([NH3+])CC(F)F)cc1 ZINC000582061730 347155910 /nfs/dbraw/zinc/15/59/10/347155910.db2.gz QKODYCDFYXSITD-SECBINFHSA-N 2 0 243.257 1.066 20 0 BDADRP C[NH2+]C[C@](C)(O)C[NH+]1CCc2ccccc2CC1 ZINC000582067857 347161669 /nfs/dbraw/zinc/16/16/69/347161669.db2.gz MUHOCHLCITVGPG-HNNXBMFYSA-N 2 0 248.370 1.058 20 0 BDADRP CC[NH+]1CCC(N[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000309664257 347130939 /nfs/dbraw/zinc/13/09/39/347130939.db2.gz SOMWBKSAYYXFIE-YPMHNXCESA-N 2 0 225.380 1.010 20 0 BDADRP Cc1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)on1 ZINC000631158546 347288729 /nfs/dbraw/zinc/28/87/29/347288729.db2.gz WIDCBPCRJNFIHO-GFCCVEGCSA-N 2 0 237.347 1.805 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@H+](C[C@H]2CCCCO2)C1 ZINC000250764217 362819815 /nfs/dbraw/zinc/81/98/15/362819815.db2.gz RZYKXPUNUNYHDL-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H]1C[C@@H](NCCC[NH2+]C2CC2)CC[N@@H+]1C ZINC000382578462 347366801 /nfs/dbraw/zinc/36/68/01/347366801.db2.gz IMPIUHCNOMYUFQ-YPMHNXCESA-N 2 0 225.380 1.201 20 0 BDADRP [NH3+]CC[C@H]1CCCC[N@@H+]1C[C@H]1CCCCO1 ZINC000250806198 362822406 /nfs/dbraw/zinc/82/24/06/362822406.db2.gz CODWDSUDFZCFFS-CHWSQXEVSA-N 2 0 226.364 1.759 20 0 BDADRP C[C@H]1CC[C@H](C[NH+]2CCC(CC[NH3+])CC2)O1 ZINC000149768028 347514039 /nfs/dbraw/zinc/51/40/39/347514039.db2.gz GVVHWVVORQGELP-WCQYABFASA-N 2 0 226.364 1.615 20 0 BDADRP Cc1ccsc1C[NH2+]CC1([NH3+])CCOCC1 ZINC000149820267 347524948 /nfs/dbraw/zinc/52/49/48/347524948.db2.gz BDVRRQDJFKOIAY-UHFFFAOYSA-N 2 0 240.372 1.654 20 0 BDADRP CC(C)OC1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000577270719 365910887 /nfs/dbraw/zinc/91/08/87/365910887.db2.gz HVXLILVENYEDQK-CYBMUJFWSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1ccccc1C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313385183 179274853 /nfs/dbraw/zinc/27/48/53/179274853.db2.gz KISOJXTZYHJNFR-CQSZACIVSA-N 2 0 234.343 1.545 20 0 BDADRP CSCC[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000591567866 347670796 /nfs/dbraw/zinc/67/07/96/347670796.db2.gz YZCULIPWJOMPRJ-SECBINFHSA-N 2 0 239.388 1.862 20 0 BDADRP C[NH2+]C[C@@](C)(O)CN1CCc2sccc2C1 ZINC000577287138 365917281 /nfs/dbraw/zinc/91/72/81/365917281.db2.gz XPNNSHFXFKWWLP-GFCCVEGCSA-N 2 0 240.372 1.077 20 0 BDADRP CC[C@@H]1C[N@H+](CCC(=O)OC(C)C)CC[C@H]1[NH3+] ZINC000592488987 347787023 /nfs/dbraw/zinc/78/70/23/347787023.db2.gz OOVPSCYXLQZYFI-VXGBXAGGSA-N 2 0 242.363 1.387 20 0 BDADRP CCCC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371301998 187385655 /nfs/dbraw/zinc/38/56/55/187385655.db2.gz XGVPZUJKJLHMQC-BFHYXJOUSA-N 2 0 240.391 1.970 20 0 BDADRP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN2C)CCO1 ZINC000300417148 187392048 /nfs/dbraw/zinc/39/20/48/187392048.db2.gz OZQVQCCXUYYRAX-MJBXVCDLSA-N 2 0 240.391 1.874 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000124598949 187393983 /nfs/dbraw/zinc/39/39/83/187393983.db2.gz YKTJECAPHREVRT-MELADBBJSA-N 2 0 234.343 1.738 20 0 BDADRP CCOC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000595908454 348398173 /nfs/dbraw/zinc/39/81/73/348398173.db2.gz IKCSJQNCIOPKFH-VXGBXAGGSA-N 2 0 242.363 1.389 20 0 BDADRP CO[C@H]1CCC[C@H]([NH2+]CCn2ccnc2)C1 ZINC000069847686 490187316 /nfs/dbraw/zinc/18/73/16/490187316.db2.gz SISMJBOIDABEKN-RYUDHWBXSA-N 2 0 223.320 1.430 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)C(C)(C)C ZINC000308797471 348643069 /nfs/dbraw/zinc/64/30/69/348643069.db2.gz CTZXBZPYMQQOLY-GHMZBOCLSA-N 2 0 216.369 1.323 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623507566 362931564 /nfs/dbraw/zinc/93/15/64/362931564.db2.gz QPTDUJDPJINFLC-AGIUHOORSA-N 2 0 240.391 1.874 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]([NH3+])C2CC2)C1(C)C ZINC000399324355 323203850 /nfs/dbraw/zinc/20/38/50/323203850.db2.gz KGCOAZJIAFEUGD-IJLUTSLNSA-N 2 0 226.364 1.517 20 0 BDADRP CC[NH+]1CCC(C[NH2+]Cc2cncnc2)CC1 ZINC000054768157 349079365 /nfs/dbraw/zinc/07/93/65/349079365.db2.gz JFZQEPQQHVVZHV-UHFFFAOYSA-N 2 0 234.347 1.298 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C(C)(C)O ZINC000251046488 538032867 /nfs/dbraw/zinc/03/28/67/538032867.db2.gz MXMPHEBCPCSQRV-SRVKXCTJSA-N 2 0 226.364 1.362 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000250225095 349168533 /nfs/dbraw/zinc/16/85/33/349168533.db2.gz FIERLNXUEIDLDO-XJFOESAGSA-N 2 0 240.391 1.874 20 0 BDADRP CC[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)CC)CC1 ZINC000383641613 349228759 /nfs/dbraw/zinc/22/87/59/349228759.db2.gz ZXUITKBGTRERJP-KGLIPLIRSA-N 2 0 242.407 1.811 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C[C@H](C)O1 ZINC000252107204 349195965 /nfs/dbraw/zinc/19/59/65/349195965.db2.gz JBNHFINFLAHDBS-XJFOESAGSA-N 2 0 240.391 1.874 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCCOC1 ZINC000530214974 323216761 /nfs/dbraw/zinc/21/67/61/323216761.db2.gz ZNTWYSUYSHDCSF-HZSPNIEDSA-N 2 0 240.391 1.910 20 0 BDADRP CC(C)([NH3+])C[NH+]1CCc2ccccc2CC1 ZINC000070620796 350032064 /nfs/dbraw/zinc/03/20/64/350032064.db2.gz APGFBMKKXPBLSV-UHFFFAOYSA-N 2 0 218.344 1.825 20 0 BDADRP CC(C)[NH+]1CCC(NC(=O)CCCC[NH3+])CC1 ZINC000070534563 350017824 /nfs/dbraw/zinc/01/78/24/350017824.db2.gz NOCSPODTRRTFGN-UHFFFAOYSA-N 2 0 241.379 1.104 20 0 BDADRP [NH3+]CCC1CC[NH+](CCC(F)(F)F)CC1 ZINC000070913994 350073806 /nfs/dbraw/zinc/07/38/06/350073806.db2.gz QKBWZQLDTIDMPP-UHFFFAOYSA-N 2 0 224.270 2.000 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000131403757 191011590 /nfs/dbraw/zinc/01/15/90/191011590.db2.gz FOSBCYOIAIXDRD-STQMWFEESA-N 2 0 228.380 1.733 20 0 BDADRP CCOCCC[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000131517283 191014311 /nfs/dbraw/zinc/01/43/11/191014311.db2.gz FUCIQGHWWGRXRT-OLZOCXBDSA-N 2 0 228.380 1.733 20 0 BDADRP CC[C@H](CO)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000219374848 350123949 /nfs/dbraw/zinc/12/39/49/350123949.db2.gz DTQVZKCLGPXXKM-OASPWFOLSA-N 2 0 220.316 1.492 20 0 BDADRP C[C@@H]1C[C@H](NCCC[NH+](C)C)C[N@@H+]1C1CC1 ZINC000132005216 191022168 /nfs/dbraw/zinc/02/21/68/191022168.db2.gz JKVYEHQRRVTDML-NEPJUHHUSA-N 2 0 225.380 1.153 20 0 BDADRP CC[NH+](CC)C[C@@H](C)N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422712555 192440012 /nfs/dbraw/zinc/44/00/12/192440012.db2.gz INWDJZKYMWWXOZ-AGIUHOORSA-N 2 0 227.396 1.447 20 0 BDADRP Cc1ncc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000339287669 180157675 /nfs/dbraw/zinc/15/76/75/180157675.db2.gz XXWIDDNYIHWNKU-UONOGXRCSA-N 2 0 246.358 1.501 20 0 BDADRP C([NH2+]C[C@H]1CCCCO1)C1CC[NH2+]CC1 ZINC000042825204 191067590 /nfs/dbraw/zinc/06/75/90/191067590.db2.gz WFBFKUOOMIICOR-GFCCVEGCSA-N 2 0 212.337 1.145 20 0 BDADRP CSCCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422750070 192454607 /nfs/dbraw/zinc/45/46/07/192454607.db2.gz CAACEWOCUCKGLL-UHFFFAOYSA-N 2 0 216.394 1.847 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])N[C@@H](C)CC[NH+](C)C ZINC000422776812 192463317 /nfs/dbraw/zinc/46/33/17/192463317.db2.gz DNSJMXKAYJZDHF-GARJFASQSA-N 2 0 201.358 1.042 20 0 BDADRP CC[NH+]1CCC([NH2+]CCCSC)CC1 ZINC000037977587 350297152 /nfs/dbraw/zinc/29/71/52/350297152.db2.gz HOZTYDNAONIIGX-UHFFFAOYSA-N 2 0 216.394 1.813 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+]CCCC[NH3+])C12CCC2 ZINC000083684784 350297642 /nfs/dbraw/zinc/29/76/42/350297642.db2.gz UINHGMPYZZBURZ-NEPJUHHUSA-N 2 0 226.364 1.663 20 0 BDADRP CC(C)[C@H](O)CC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000224098743 350308650 /nfs/dbraw/zinc/30/86/50/350308650.db2.gz IAEXQGAHTXVWEK-RWMBFGLXSA-N 2 0 228.380 1.323 20 0 BDADRP Cc1ncsc1C[N@H+](C)CC1CC[NH2+]CC1 ZINC000082633142 180314053 /nfs/dbraw/zinc/31/40/53/180314053.db2.gz NXXHNRUZWOJDPA-UHFFFAOYSA-N 2 0 239.388 1.883 20 0 BDADRP Cc1ncsc1CC[NH2+]CC1([NH3+])CCC1 ZINC000342126896 180309776 /nfs/dbraw/zinc/30/97/76/180309776.db2.gz JZQJLSVDORBALH-UHFFFAOYSA-N 2 0 225.361 1.465 20 0 BDADRP CCC[NH+]1CCC(N[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000422786344 192467097 /nfs/dbraw/zinc/46/70/97/192467097.db2.gz QFFJGPCXXXMPTR-STQMWFEESA-N 2 0 225.380 1.330 20 0 BDADRP Cc1ncsc1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000126754147 180317844 /nfs/dbraw/zinc/31/78/44/180317844.db2.gz ZGBKOQSKFZYPSI-WCBMZHEXSA-N 2 0 225.361 1.621 20 0 BDADRP Cc1nn(C)cc1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000228328354 191101921 /nfs/dbraw/zinc/10/19/21/191101921.db2.gz PGVGNZWAQOFGLU-JQWIXIFHSA-N 2 0 236.363 1.288 20 0 BDADRP Cc1nn(C)c(C)c1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000126926653 180337693 /nfs/dbraw/zinc/33/76/93/180337693.db2.gz KCICMBJTOVTUGS-SKDRFNHKSA-N 2 0 236.363 1.206 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000384791799 350530045 /nfs/dbraw/zinc/53/00/45/350530045.db2.gz RECUXFNXVLIYCM-LMLFDSFASA-N 2 0 200.326 1.269 20 0 BDADRP COCCC[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000062031639 350537168 /nfs/dbraw/zinc/53/71/68/350537168.db2.gz NEQDKEDJOYSCHY-GFCCVEGCSA-N 2 0 214.353 1.344 20 0 BDADRP CC[C@H]1CCC[N@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000563270979 350746977 /nfs/dbraw/zinc/74/69/77/350746977.db2.gz ICHKUDKEISINAV-NWDGAFQWSA-N 2 0 214.353 1.079 20 0 BDADRP CC[C@H]1CCC[N@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000563270980 350747057 /nfs/dbraw/zinc/74/70/57/350747057.db2.gz ICHKUDKEISINAV-RYUDHWBXSA-N 2 0 214.353 1.079 20 0 BDADRP C[C@@H](NCC1([NH3+])CCCCCC1)C1C[NH2+]C1 ZINC000577600533 366012390 /nfs/dbraw/zinc/01/23/90/366012390.db2.gz FLFRCJSWOPEGLZ-LLVKDONJSA-N 2 0 225.380 1.236 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cc(C(N)=O)cs1 ZINC000571208478 350869580 /nfs/dbraw/zinc/86/95/80/350869580.db2.gz DFNJFFSZMULETO-JGVFFNPUSA-N 2 0 241.360 1.062 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cc(C(N)=O)cs1 ZINC000571208477 350869781 /nfs/dbraw/zinc/86/97/81/350869781.db2.gz DFNJFFSZMULETO-HTQZYQBOSA-N 2 0 241.360 1.062 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]CC[C@H]2CCOC2)CC1 ZINC000230393050 535162400 /nfs/dbraw/zinc/16/24/00/535162400.db2.gz UKPHICGTHVZULN-ZDUSSCGKSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1cccnc1CC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000404897706 363071564 /nfs/dbraw/zinc/07/15/64/363071564.db2.gz HMPINXKTNGHOOV-HIFRSBDPSA-N 2 0 247.386 1.862 20 0 BDADRP CC[N@@H+]1CCCN(c2cc[nH+]c(C)c2)CC1 ZINC000274344938 351567394 /nfs/dbraw/zinc/56/73/94/351567394.db2.gz JEHRRVIBNGDRCB-UHFFFAOYSA-N 2 0 219.332 1.922 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000414671204 351578623 /nfs/dbraw/zinc/57/86/23/351578623.db2.gz NJXIEXZFNXXLOO-XDQVBPFNSA-N 3 0 239.407 1.419 20 0 BDADRP CC[NH2+][C@H](C)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000637841053 351696537 /nfs/dbraw/zinc/69/65/37/351696537.db2.gz RKDZQNOHYODOJP-SNVBAGLBSA-N 2 0 247.342 1.269 20 0 BDADRP CC[NH2+][C@@H](C)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000637841052 351696739 /nfs/dbraw/zinc/69/67/39/351696739.db2.gz RKDZQNOHYODOJP-JTQLQIEISA-N 2 0 247.342 1.269 20 0 BDADRP CC(C)CC[C@@H]([NH3+])C(=O)NC1(C[NH3+])CCCC1 ZINC000637841545 351697684 /nfs/dbraw/zinc/69/76/84/351697684.db2.gz SUPVGYZRNRXXBJ-LLVKDONJSA-N 2 0 241.379 1.138 20 0 BDADRP CC[C@H](O)C[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000577722106 366043880 /nfs/dbraw/zinc/04/38/80/366043880.db2.gz GUVIKIVAGXVGSD-STQMWFEESA-N 2 0 228.380 1.469 20 0 BDADRP CC(C)CC[C@@H]([NH3+])C(=O)NCCC[NH2+]C(C)C ZINC000637827739 351670790 /nfs/dbraw/zinc/67/07/90/351670790.db2.gz BLUYKZIUXUIITB-GFCCVEGCSA-N 2 0 243.395 1.254 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000637852231 351711405 /nfs/dbraw/zinc/71/14/05/351711405.db2.gz VCRNKUYXUYXGGQ-WCQYABFASA-N 2 0 243.395 1.240 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+][C@@H]2CCCC(F)(F)[C@H]2O)C1 ZINC000577768956 366056096 /nfs/dbraw/zinc/05/60/96/366056096.db2.gz YIHUKHSDVVNEDN-MMWGEVLESA-N 2 0 248.317 1.395 20 0 BDADRP CC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000177837648 366067354 /nfs/dbraw/zinc/06/73/54/366067354.db2.gz HQDFXUUXCBIYGB-VXGBXAGGSA-N 2 0 214.353 1.031 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000638208377 352070623 /nfs/dbraw/zinc/07/06/23/352070623.db2.gz FAQAEQIBPVETCB-TUAOUCFPSA-N 2 0 241.379 1.007 20 0 BDADRP CC[NH2+][C@@H](C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000638173844 352038317 /nfs/dbraw/zinc/03/83/17/352038317.db2.gz DSJBGRUGBHDXHX-VIFPVBQESA-N 2 0 221.304 1.082 20 0 BDADRP CO[C@H](C[NH2+]CCC[NH+](C)C)CC(C)C ZINC000638289110 352124543 /nfs/dbraw/zinc/12/45/43/352124543.db2.gz DBYKTJNNSWWWRT-LBPRGKRZSA-N 2 0 216.369 1.589 20 0 BDADRP C[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)C1CC1 ZINC000638301628 352132874 /nfs/dbraw/zinc/13/28/74/352132874.db2.gz MERPGFQBIMKQKT-LLVKDONJSA-N 2 0 240.391 1.610 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)NCC[C@@H](C)[NH+](C)C ZINC000638409278 352218841 /nfs/dbraw/zinc/21/88/41/352218841.db2.gz OHSXSDFNPPWNSS-NEPJUHHUSA-N 2 0 243.395 1.206 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@H+](CCC2(O)CCC2)C1 ZINC000411116128 191159670 /nfs/dbraw/zinc/15/96/70/191159670.db2.gz NRAWTRDMZGIOMJ-LBPRGKRZSA-N 2 0 226.364 1.175 20 0 BDADRP C[N@H+](CCC1(O)CCC1)C[C@@H]1CCC[NH+](C)C1 ZINC000411116607 191161931 /nfs/dbraw/zinc/16/19/31/191161931.db2.gz ZOPLXYCMGXUZFT-CYBMUJFWSA-N 2 0 240.391 1.565 20 0 BDADRP C[N@H+](CCC1(O)CCC1)C[C@H]1CCC[NH+](C)C1 ZINC000411116608 191162316 /nfs/dbraw/zinc/16/23/16/191162316.db2.gz ZOPLXYCMGXUZFT-ZDUSSCGKSA-N 2 0 240.391 1.565 20 0 BDADRP CO[C@@H](C[NH2+]CCCC[NH+](C)C)CC(C)C ZINC000638452268 352263377 /nfs/dbraw/zinc/26/33/77/352263377.db2.gz WNPANBAXXGGRPG-CYBMUJFWSA-N 2 0 230.396 1.979 20 0 BDADRP C[C@]1(C[NH2+]C2CCC(C[NH3+])CC2)CCC[NH2+]C1 ZINC000414917957 352272584 /nfs/dbraw/zinc/27/25/84/352272584.db2.gz SREODRRUYKEHSB-RUXDESIVSA-N 3 0 239.407 1.483 20 0 BDADRP CCC[N@H+](C)CC(C)(C)NC(=O)[C@H](C)[NH2+]CC ZINC000638439448 352248902 /nfs/dbraw/zinc/24/89/02/352248902.db2.gz STJOHYQBQGBRQE-NSHDSACASA-N 2 0 243.395 1.221 20 0 BDADRP C[C@@H](C[NH2+]CCC[C@@H]1CCO1)N(C)C1CC1 ZINC000638574378 352404536 /nfs/dbraw/zinc/40/45/36/352404536.db2.gz DDHOWRYJDXWIKX-WCQYABFASA-N 2 0 226.364 1.628 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)C1CCOCC1 ZINC000300362908 352560239 /nfs/dbraw/zinc/56/02/39/352560239.db2.gz GMEWRQMIGWQJDX-DRZSPHRISA-N 2 0 226.364 1.661 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCO[C@@H]2C2CC2)C1 ZINC000300384612 352561294 /nfs/dbraw/zinc/56/12/94/352561294.db2.gz JFVIRNZTIXDQLG-MROQNXINSA-N 2 0 224.348 1.413 20 0 BDADRP CC(C)(C)[NH2+]CCN1CC[NH+](C2CC2)CC1 ZINC000044384124 352652636 /nfs/dbraw/zinc/65/26/36/352652636.db2.gz RDNSGMBPOFLMPW-UHFFFAOYSA-N 2 0 225.380 1.155 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000043427977 352637587 /nfs/dbraw/zinc/63/75/87/352637587.db2.gz NSKJYGFQPCMRSK-QWHCGFSZSA-N 2 0 224.348 1.239 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000334270935 352907666 /nfs/dbraw/zinc/90/76/66/352907666.db2.gz GFLGTORCKJUTRT-ZIAGYGMSSA-N 2 0 239.407 1.353 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC2(F)CC2)C1 ZINC000307690099 353093749 /nfs/dbraw/zinc/09/37/49/353093749.db2.gz HOCOGQZPUSZKRD-UWVGGRQHSA-N 2 0 200.301 1.548 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000357066936 188065625 /nfs/dbraw/zinc/06/56/25/188065625.db2.gz DBPSKAUOELSBQL-RYUDHWBXSA-N 2 0 244.404 1.322 20 0 BDADRP CC(C)[N@H+](CC[C@@H]1CCC[NH+]1C)[C@H]1CCOC1 ZINC000361414746 188070146 /nfs/dbraw/zinc/07/01/46/188070146.db2.gz LPXFHXUHBTXAAZ-KBPBESRZSA-N 2 0 240.391 1.970 20 0 BDADRP C(C1CC1)[N@@H+]1C[C@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000361303305 188070838 /nfs/dbraw/zinc/07/08/38/188070838.db2.gz HSSLLSURFGAWNQ-BFHYXJOUSA-N 2 0 220.360 1.813 20 0 BDADRP CC(C)[N@@H+](CC[C@@H]1CCC[NH+]1C)C[C@H](C)O ZINC000305679722 188078102 /nfs/dbraw/zinc/07/81/02/188078102.db2.gz NCZZCWDSTCEEKL-STQMWFEESA-N 2 0 228.380 1.562 20 0 BDADRP CC(C)[C@H](O)CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000305364952 188078186 /nfs/dbraw/zinc/07/81/86/188078186.db2.gz VIAFMHJURWQIBJ-MGPQQGTHSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@H]1C[N@H+](C)CCN1CC[NH2+]C(C)(C)C ZINC000235581432 188082112 /nfs/dbraw/zinc/08/21/12/188082112.db2.gz MDDPSAHYGHVDCA-NSHDSACASA-N 2 0 213.369 1.010 20 0 BDADRP CC(C)[N@H+](C)CC(=O)Nc1ccccc1C[NH3+] ZINC000022216643 188109586 /nfs/dbraw/zinc/10/95/86/188109586.db2.gz HBKCDOKFTYKDCL-UHFFFAOYSA-N 2 0 235.331 1.424 20 0 BDADRP CC(C)[NH+]1CCC(N2C[C@@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000070075207 188130146 /nfs/dbraw/zinc/13/01/46/188130146.db2.gz DUDAVZWZWXFNDL-BETUJISGSA-N 2 0 239.407 1.541 20 0 BDADRP Cc1ccc(CCC[NH2+]CCCO)cn1 ZINC000336661580 188163375 /nfs/dbraw/zinc/16/33/75/188163375.db2.gz CCGDXTLSRIWYBV-UHFFFAOYSA-N 2 0 208.305 1.295 20 0 BDADRP CC(C)([NH3+])CCC(=O)NC1(C[NH3+])CCCCC1 ZINC000639001735 353249617 /nfs/dbraw/zinc/24/96/17/353249617.db2.gz MRROXZYIEADBJO-UHFFFAOYSA-N 2 0 241.379 1.282 20 0 BDADRP C=Cn1cc(C[NH2+]CC2CC[NH+](C)CC2)cn1 ZINC000194352235 188175299 /nfs/dbraw/zinc/17/52/99/188175299.db2.gz YKEHIGDMPARVJF-UHFFFAOYSA-N 2 0 234.347 1.415 20 0 BDADRP CC[N@H+](C)CCNc1cc(C)nc(C)n1 ZINC000054128055 188176637 /nfs/dbraw/zinc/17/66/37/188176637.db2.gz NVTFCWYCIRANCE-UHFFFAOYSA-N 2 0 208.309 1.457 20 0 BDADRP C([NH2+]C1CCSCC1)[C@H]1CCC[NH2+]C1 ZINC000220692291 188180323 /nfs/dbraw/zinc/18/03/23/188180323.db2.gz WSKZZDWTJGCAFX-JTQLQIEISA-N 2 0 214.378 1.471 20 0 BDADRP CC(C)[C@@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000336715664 188182972 /nfs/dbraw/zinc/18/29/72/188182972.db2.gz SSJYVZJSKLBXBR-KGLIPLIRSA-N 2 0 240.391 1.421 20 0 BDADRP C[N@H+](C[C@@H]1CCC[NH+](C)C1)CC1(C)COC1 ZINC000336698571 188183177 /nfs/dbraw/zinc/18/31/77/188183177.db2.gz JKRBOTHAUYWBTA-GFCCVEGCSA-N 2 0 226.364 1.297 20 0 BDADRP c1ccc2c(c1)CC([NH2+][C@@H]1CCC[NH2+]CC1)C2 ZINC000232450626 188187272 /nfs/dbraw/zinc/18/72/72/188187272.db2.gz HXYIXCINYMYMQV-CQSZACIVSA-N 2 0 230.355 1.886 20 0 BDADRP CC(C)C[C@@H](CNC(=O)CC[C@H](C)[NH3+])[NH+](C)C ZINC000070317490 188220584 /nfs/dbraw/zinc/22/05/84/188220584.db2.gz QYDMITRCMGFPHJ-RYUDHWBXSA-N 2 0 243.395 1.206 20 0 BDADRP CCCN(C[C@@H]1CCCOC1)[C@H]1CC[NH2+]C1 ZINC000250064167 353267555 /nfs/dbraw/zinc/26/75/55/353267555.db2.gz XZCMMPDVJFWEGC-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP C([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)[C@@H]1CCCO1 ZINC000093451113 188222529 /nfs/dbraw/zinc/22/25/29/188222529.db2.gz YIWPBXNRFNDZNT-RFQIPJPRSA-N 2 0 238.375 1.676 20 0 BDADRP Cc1ccnc(C)c1NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000333101229 188227193 /nfs/dbraw/zinc/22/71/93/188227193.db2.gz AUUQEKNZTJPOTE-LLVKDONJSA-N 2 0 248.330 1.572 20 0 BDADRP CC[N@@H+]1CCC[C@H]1CN(C)C[C@H]1CCC[NH2+]C1 ZINC000252571900 353299984 /nfs/dbraw/zinc/29/99/84/353299984.db2.gz BZFXQSKQESIMKI-KBPBESRZSA-N 2 0 239.407 1.402 20 0 BDADRP CN(C[C@@H]1CCC[N@@H+]1C)C[C@H]1CCC[NH2+]C1 ZINC000252577829 353300815 /nfs/dbraw/zinc/30/08/15/353300815.db2.gz JTFKXJLLIMVYTB-STQMWFEESA-N 2 0 225.380 1.012 20 0 BDADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CCOC2)CC1 ZINC000037786227 358478236 /nfs/dbraw/zinc/47/82/36/358478236.db2.gz ZOOUZYPDOTYFNO-LBPRGKRZSA-N 2 0 240.391 1.875 20 0 BDADRP COCCCC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000308879077 538117519 /nfs/dbraw/zinc/11/75/19/538117519.db2.gz VCAQHYOAZOMNBS-GFCCVEGCSA-N 2 0 212.337 1.098 20 0 BDADRP CO[C@H]1C[N@H+](CCC2CC[NH2+]CC2)CC[C@@H]1C ZINC000230310977 353486161 /nfs/dbraw/zinc/48/61/61/353486161.db2.gz ALRGZEZXOAFTLY-JSGCOSHPSA-N 2 0 240.391 1.733 20 0 BDADRP CC[NH+](CC)CCCCNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000192096738 353542031 /nfs/dbraw/zinc/54/20/31/353542031.db2.gz QOJVSDNWNITTEI-VXGBXAGGSA-N 2 0 243.395 1.208 20 0 BDADRP C[NH2+]C[C@H](C)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000178231289 366106352 /nfs/dbraw/zinc/10/63/52/366106352.db2.gz NRCWNFRQXYNKCP-UWVGGRQHSA-N 2 0 235.331 1.500 20 0 BDADRP C1CC1[C@H]1OCC[C@@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000232450692 353726626 /nfs/dbraw/zinc/72/66/26/353726626.db2.gz YFZVWULYZVYASS-FRRDWIJNSA-N 2 0 224.348 1.286 20 0 BDADRP C(C1CC1)[NH+]1CCC([NH2+][C@H]2CCCOC2)CC1 ZINC000548767619 324221456 /nfs/dbraw/zinc/22/14/56/324221456.db2.gz AEEFSFQDXGAVOM-AWEZNQCLSA-N 2 0 238.375 1.629 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCOC2)[C@H](C)C1 ZINC000178426060 366123153 /nfs/dbraw/zinc/12/31/53/366123153.db2.gz CDYZPULUGKVAIJ-RDBSUJKOSA-N 2 0 240.391 1.733 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCC[C@H]2O)[C@H](C)C1 ZINC000449735848 202013762 /nfs/dbraw/zinc/01/37/62/202013762.db2.gz JLVMKBUFDMVSNY-XJFOESAGSA-N 2 0 240.391 1.467 20 0 BDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(C)C)CC1 ZINC000449744979 202017808 /nfs/dbraw/zinc/01/78/08/202017808.db2.gz KMQYDYWUIROOKI-UHFFFAOYSA-N 2 0 241.423 1.648 20 0 BDADRP C[C@@H]1C[C@@H](C[NH+]2CCC(C[NH3+])CC2)CC[NH2+]1 ZINC000334586604 354211303 /nfs/dbraw/zinc/21/13/03/354211303.db2.gz OAOWIFAODBEJEW-YPMHNXCESA-N 3 0 225.380 1.045 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C2CC(F)(F)C2)C1 ZINC000577963761 366148568 /nfs/dbraw/zinc/14/85/68/366148568.db2.gz MZEQJUZZKBTGNR-JGVFFNPUSA-N 2 0 204.264 1.644 20 0 BDADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@H]1CCCC[NH2+]1 ZINC000334652348 354445289 /nfs/dbraw/zinc/44/52/89/354445289.db2.gz ITPDWTYHDNBKJY-CYBMUJFWSA-N 2 0 245.326 1.370 20 0 BDADRP CC(C)([NH3+])CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000334689325 354477524 /nfs/dbraw/zinc/47/75/24/354477524.db2.gz YKWUTKWBPGAHDQ-LBPRGKRZSA-N 2 0 225.380 1.188 20 0 BDADRP C[N@@H+]1CC[C@]2(CCN(Cc3ccns3)C2)C1 ZINC000639203804 354640109 /nfs/dbraw/zinc/64/01/09/354640109.db2.gz MEPZFVBXOJJNPA-LBPRGKRZSA-N 2 0 237.372 1.671 20 0 BDADRP CC1=C[C@@H](C)C[N@H+](Cc2cnc(N(C)C)n2C)C1 ZINC000335115202 354704498 /nfs/dbraw/zinc/70/44/98/354704498.db2.gz SAWLBBVGCRCBAF-LLVKDONJSA-N 2 0 248.374 1.884 20 0 BDADRP C[NH+](C)CC1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000345777033 354760182 /nfs/dbraw/zinc/76/01/82/354760182.db2.gz SPLXYNNHFOTIPS-CQSZACIVSA-N 2 0 240.391 1.829 20 0 BDADRP CC(C)COCC[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000232677503 363378267 /nfs/dbraw/zinc/37/82/67/363378267.db2.gz ULLLLBHXCBDGJH-NWDGAFQWSA-N 2 0 214.353 1.328 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CCCSC ZINC000234717063 363428246 /nfs/dbraw/zinc/42/82/46/363428246.db2.gz DMCVJRSBNAGJAE-SNVBAGLBSA-N 2 0 220.382 1.083 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc(N)c2)C1 ZINC000335964112 134027749 /nfs/dbraw/zinc/02/77/49/134027749.db2.gz QUZSZADBNGOKGV-CMPLNLGQSA-N 2 0 219.332 1.438 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCn2ccnc2C1)c1ccccn1 ZINC000335199593 355032536 /nfs/dbraw/zinc/03/25/36/355032536.db2.gz IAFIZVQNFVFKBE-NWDGAFQWSA-N 2 0 242.326 1.944 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCn2ccnc2C1)c1ccccn1 ZINC000335199592 355032855 /nfs/dbraw/zinc/03/28/55/355032855.db2.gz IAFIZVQNFVFKBE-NEPJUHHUSA-N 2 0 242.326 1.944 20 0 BDADRP C[C@H](CC(N)=O)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000346751673 355111188 /nfs/dbraw/zinc/11/11/88/355111188.db2.gz DBJYRWHUPMYSPO-VXGBXAGGSA-N 2 0 241.379 1.104 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CCOC2)[C@H](C)C1 ZINC000346881654 355143796 /nfs/dbraw/zinc/14/37/96/355143796.db2.gz OGTXWCAGLCZEGA-MCIONIFRSA-N 2 0 240.391 1.733 20 0 BDADRP C[N@H+](CCCn1ccnc1)CCOC1CCC1 ZINC000346974702 355209874 /nfs/dbraw/zinc/20/98/74/355209874.db2.gz FMZDWCGVLUHSOF-UHFFFAOYSA-N 2 0 237.347 1.774 20 0 BDADRP COC(=O)C[C@@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000346964735 355172154 /nfs/dbraw/zinc/17/21/54/355172154.db2.gz BVAOPRFLJZXPLH-LBPRGKRZSA-N 2 0 240.347 1.014 20 0 BDADRP CN(CC(C)(C)[NH3+])[C@H](CCO)c1ccccc1 ZINC000346993965 355192727 /nfs/dbraw/zinc/19/27/27/355192727.db2.gz BKWROEJXDCJBDX-CYBMUJFWSA-N 2 0 236.359 1.779 20 0 BDADRP COC(=O)C[C@@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000346997566 355195418 /nfs/dbraw/zinc/19/54/18/355195418.db2.gz WZDZPTOSTUOXHF-RYUDHWBXSA-N 2 0 240.347 1.014 20 0 BDADRP COC(=O)C[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000346997563 355195662 /nfs/dbraw/zinc/19/56/62/355195662.db2.gz WZDZPTOSTUOXHF-NEPJUHHUSA-N 2 0 240.347 1.014 20 0 BDADRP CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000040503685 358494319 /nfs/dbraw/zinc/49/43/19/358494319.db2.gz MJCVXOHSJFQLFZ-VXGBXAGGSA-N 2 0 241.379 1.104 20 0 BDADRP C[NH2+]C[C@@H]1CCCN(Cc2c[nH]nc2C)C1 ZINC000347003091 355200634 /nfs/dbraw/zinc/20/06/34/355200634.db2.gz KJQUIMOQPAPJAQ-NSHDSACASA-N 2 0 222.336 1.150 20 0 BDADRP CC[C@H](C[N@H+](C)C[C@H]1CCC[NH+](C)C1)OC ZINC000412979336 191347942 /nfs/dbraw/zinc/34/79/42/191347942.db2.gz TYBJFWRAPFJTKG-QWHCGFSZSA-N 2 0 228.380 1.685 20 0 BDADRP Cc1cccc(O[C@H](C)C[NH2+][C@H](C)C2C[NH2+]C2)c1 ZINC000422789342 192485623 /nfs/dbraw/zinc/48/56/23/192485623.db2.gz OEDAQOHNDVQIFW-CHWSQXEVSA-N 2 0 248.370 1.960 20 0 BDADRP C[C@]1([NH3+])CC[N@@H+]([C@H]2CCCSC2)C1 ZINC000405792182 355296158 /nfs/dbraw/zinc/29/61/58/355296158.db2.gz LKOVFRJFBXNTOY-UWVGGRQHSA-N 2 0 200.351 1.305 20 0 BDADRP C[C@]1([NH3+])CC[N@@H+]([C@@H]2CCCSC2)C1 ZINC000405792184 355296500 /nfs/dbraw/zinc/29/65/00/355296500.db2.gz LKOVFRJFBXNTOY-ZJUUUORDSA-N 2 0 200.351 1.305 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccns2)C1 ZINC000639257993 355303683 /nfs/dbraw/zinc/30/36/83/355303683.db2.gz WBZKGLUKFUOCPY-LLVKDONJSA-N 2 0 239.388 1.965 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCO[C@H](C)C1 ZINC000388942667 355372042 /nfs/dbraw/zinc/37/20/42/355372042.db2.gz SGXHKQYYXNGISQ-JHJVBQTASA-N 2 0 228.380 1.909 20 0 BDADRP C[C@H]([NH3+])c1ccc(C(=O)NC[C@@H]2CCC[NH2+]2)cc1 ZINC000422789786 192485979 /nfs/dbraw/zinc/48/59/79/192485979.db2.gz SMNRABHWHNRBSP-GWCFXTLKSA-N 2 0 247.342 1.188 20 0 BDADRP CO[C@@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000191202080 355345726 /nfs/dbraw/zinc/34/57/26/355345726.db2.gz IRLYORJWSNWTBA-YEJSDXFRSA-N 2 0 212.337 1.236 20 0 BDADRP c1c[nH]c(C2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)n1 ZINC000335787319 355437980 /nfs/dbraw/zinc/43/79/80/355437980.db2.gz HQDPEVVTLUXONZ-LBPRGKRZSA-N 2 0 248.374 1.589 20 0 BDADRP C[C@H]1CC[C@H]([NH2+]CCCN2CC[NH2+]CC2)C1 ZINC000414784133 191567658 /nfs/dbraw/zinc/56/76/58/191567658.db2.gz RNXIGXWMAGAFDM-STQMWFEESA-N 2 0 225.380 1.060 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CCCN2CC[NH2+]CC2)C1 ZINC000414784126 191567720 /nfs/dbraw/zinc/56/77/20/191567720.db2.gz RNXIGXWMAGAFDM-CHWSQXEVSA-N 2 0 225.380 1.060 20 0 BDADRP C[NH2+]CCCN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000414858003 191601513 /nfs/dbraw/zinc/60/15/13/191601513.db2.gz HDFYCOFSBINTSQ-QWHCGFSZSA-N 2 0 227.396 1.496 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cnn2ccccc12 ZINC000415007354 191647832 /nfs/dbraw/zinc/64/78/32/191647832.db2.gz BJIGDAGQPDOOCH-LBPRGKRZSA-N 2 0 246.358 1.941 20 0 BDADRP C[C@@H](C[NH2+]C[C@@H]([NH3+])C1CC1)CC1CCOCC1 ZINC000414893607 191617424 /nfs/dbraw/zinc/61/74/24/191617424.db2.gz RTHDGGBVCLHPBI-BXUZGUMPSA-N 2 0 240.391 1.766 20 0 BDADRP COC(=O)c1ccc(C[NH2+][C@H](C)CCC[NH3+])[nH]1 ZINC000415027073 191656758 /nfs/dbraw/zinc/65/67/58/191656758.db2.gz VXNUCOGXRIKJPI-SECBINFHSA-N 2 0 239.319 1.018 20 0 BDADRP C[C@H]1C[C@H](C[NH2+]Cc2cccnc2)CC[NH2+]1 ZINC000415106208 191681620 /nfs/dbraw/zinc/68/16/20/191681620.db2.gz MXDIDRNYSCKLCJ-NWDGAFQWSA-N 2 0 219.332 1.559 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+]CCc2ccccn2)CC[NH2+]1 ZINC000415117633 191682558 /nfs/dbraw/zinc/68/25/58/191682558.db2.gz VVDWFXIRFOOOAG-OLZOCXBDSA-N 2 0 233.359 1.602 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415037291 191659157 /nfs/dbraw/zinc/65/91/57/191659157.db2.gz MVDWWHGMHXKQPA-BJJPWKGXSA-N 2 0 237.391 1.105 20 0 BDADRP CCC[C@@H](C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)OC ZINC000639308099 355662912 /nfs/dbraw/zinc/66/29/12/355662912.db2.gz AIHHVSHTODVNGS-XQQFMLRXSA-N 2 0 228.380 1.731 20 0 BDADRP CC[C@H](C)[C@@H](C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)OC ZINC000639313533 355691219 /nfs/dbraw/zinc/69/12/19/355691219.db2.gz XCPMEOIQGGPIFS-IGQOVBAYSA-N 2 0 242.407 1.977 20 0 BDADRP Cc1n[nH]c(C)c1CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000336022431 134055942 /nfs/dbraw/zinc/05/59/42/134055942.db2.gz ULTLBGJDGDDVJJ-NEPJUHHUSA-N 2 0 234.347 1.068 20 0 BDADRP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000166815392 355852028 /nfs/dbraw/zinc/85/20/28/355852028.db2.gz UIBVDKVQIRWAHV-OLZOCXBDSA-N 2 0 226.364 1.221 20 0 BDADRP Cc1ccc([C@H]([NH3+])C(=O)N[C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000583631943 355942052 /nfs/dbraw/zinc/94/20/52/355942052.db2.gz IJZJYCMRWVVBCA-WZRBSPASSA-N 2 0 249.358 1.237 20 0 BDADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1CC=CC1 ZINC000530218217 355900021 /nfs/dbraw/zinc/90/00/21/355900021.db2.gz VUUZNUJTXJUGLP-CYZMBNFOSA-N 2 0 224.348 1.295 20 0 BDADRP CO[C@H]1CC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000351331652 355980490 /nfs/dbraw/zinc/98/04/90/355980490.db2.gz RUVLSNBPZLYNGZ-OLZOCXBDSA-N 2 0 226.364 1.582 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000417809253 191932315 /nfs/dbraw/zinc/93/23/15/191932315.db2.gz GRNSCGATIXNZAH-TUAOUCFPSA-N 2 0 241.379 1.008 20 0 BDADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)c1ccc(C[NH3+])cc1 ZINC000417829810 191933074 /nfs/dbraw/zinc/93/30/74/191933074.db2.gz GIYXDHLBZVCKSD-GFCCVEGCSA-N 2 0 249.358 1.249 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCOCC3CC3)C[C@@H]12 ZINC000351492431 356001251 /nfs/dbraw/zinc/00/12/51/356001251.db2.gz KWFQWFHURRJLNI-JHJVBQTASA-N 2 0 224.348 1.082 20 0 BDADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)CCOC)C1 ZINC000167103316 355958349 /nfs/dbraw/zinc/95/83/49/355958349.db2.gz ZTRSPKDZLUDMAD-STQMWFEESA-N 2 0 228.380 1.733 20 0 BDADRP CC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H](C)O ZINC000582221752 355965059 /nfs/dbraw/zinc/96/50/59/355965059.db2.gz DZXHXNKNZFBGRT-RISCZKNCSA-N 2 0 240.391 1.610 20 0 BDADRP Cc1nccc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000351657980 356046887 /nfs/dbraw/zinc/04/68/87/356046887.db2.gz FRFCZHIGMJBPBJ-RISCZKNCSA-N 2 0 248.374 1.700 20 0 BDADRP C[C@@H]1OCC[C@H]1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000639452414 356232690 /nfs/dbraw/zinc/23/26/90/356232690.db2.gz BOVKPRKYELJPEY-JSGCOSHPSA-N 2 0 240.391 1.685 20 0 BDADRP CC[N@H+](CCc1cncn1C)C[C@H]1CCOC1 ZINC000639453608 356237998 /nfs/dbraw/zinc/23/79/98/356237998.db2.gz KEWMUOJBYCMBOU-GFCCVEGCSA-N 2 0 237.347 1.321 20 0 BDADRP CO[C@@H](C)C[N@H+](CC[C@H]1CC[NH2+]C1)C(C)C ZINC000420300415 192206336 /nfs/dbraw/zinc/20/63/36/192206336.db2.gz KIFWHEBTOMXJSG-QWHCGFSZSA-N 2 0 228.380 1.731 20 0 BDADRP c1c[nH]c(C2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)n1 ZINC000420319794 192195763 /nfs/dbraw/zinc/19/57/63/192195763.db2.gz PLZXXMPYEPHTEZ-GFCCVEGCSA-N 2 0 248.374 1.589 20 0 BDADRP CCOC(=O)CCCC[NH+]1CCC(C[NH3+])CC1 ZINC000420269427 192196040 /nfs/dbraw/zinc/19/60/40/192196040.db2.gz HXYHTNIPPFEHGK-UHFFFAOYSA-N 2 0 242.363 1.391 20 0 BDADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420283599 192199180 /nfs/dbraw/zinc/19/91/80/192199180.db2.gz CHMLUMYJPJWNSA-KBPBESRZSA-N 3 0 241.423 1.681 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420284901 192199848 /nfs/dbraw/zinc/19/98/48/192199848.db2.gz DBQHRHWNAQKCHL-OLZOCXBDSA-N 3 0 239.407 1.435 20 0 BDADRP C[NH2+]CC1CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC000420286366 192200350 /nfs/dbraw/zinc/20/03/50/192200350.db2.gz FMIQAAXFRBTIJR-AWEZNQCLSA-N 2 0 240.391 1.877 20 0 BDADRP C[NH2+]C[C@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000420281887 192200382 /nfs/dbraw/zinc/20/03/82/192200382.db2.gz ASFZSVBNGMDCQI-CQSZACIVSA-N 2 0 239.407 1.404 20 0 BDADRP CC(C)COCC[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000420289370 192200973 /nfs/dbraw/zinc/20/09/73/192200973.db2.gz KFQMTVHNQDJRAS-LBPRGKRZSA-N 2 0 214.353 1.376 20 0 BDADRP C[NH2+][C@@H]1CCCN(CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420287343 192201616 /nfs/dbraw/zinc/20/16/16/192201616.db2.gz GCMTUOYGTFLFIZ-QWHCGFSZSA-N 2 0 225.380 1.060 20 0 BDADRP CC[NH+](CC)CCCN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420289668 192201981 /nfs/dbraw/zinc/20/19/81/192201981.db2.gz KPWIEKHIXHZSIF-ZIAGYGMSSA-N 3 0 241.423 1.778 20 0 BDADRP CC[NH+](CC)CCCN1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000420289633 192202207 /nfs/dbraw/zinc/20/22/07/192202207.db2.gz KMFKKXJIFHQWMC-KGLIPLIRSA-N 2 0 241.423 1.778 20 0 BDADRP C[N@@H+](Cc1cc[nH]c(=O)c1)C[C@H]1CCC[NH+](C)C1 ZINC000639494008 356317773 /nfs/dbraw/zinc/31/77/73/356317773.db2.gz HNEYDCUGUNDVFZ-ZDUSSCGKSA-N 2 0 249.358 1.561 20 0 BDADRP C[NH2+]CCN(C)CCC[NH+]1CCCCC1 ZINC000420335810 192213766 /nfs/dbraw/zinc/21/37/66/192213766.db2.gz JEXBMAGKLRJBAM-UHFFFAOYSA-N 2 0 213.369 1.014 20 0 BDADRP CCOCCC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420336761 192213890 /nfs/dbraw/zinc/21/38/90/192213890.db2.gz WGMZQMARHNKJHI-UONOGXRCSA-N 2 0 240.391 1.735 20 0 BDADRP FCCC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420334893 192214524 /nfs/dbraw/zinc/21/45/24/192214524.db2.gz UNMGCEFZOYFNCG-NEPJUHHUSA-N 2 0 214.328 1.668 20 0 BDADRP CC[C@H](C)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420330000 192214881 /nfs/dbraw/zinc/21/48/81/192214881.db2.gz KUUHIUIALGNOIS-UHTWSYAYSA-N 2 0 226.364 1.613 20 0 BDADRP C[C@@H]1CCN(CCOCC2CC2)[C@@H](C[NH3+])C1 ZINC000420339635 192215746 /nfs/dbraw/zinc/21/57/46/192215746.db2.gz ONSWIQSLOGOWQK-DGCLKSJQSA-N 2 0 226.364 1.472 20 0 BDADRP C[N@H+](CCCC1CCCC1)C[C@H](O)C[NH3+] ZINC000420349888 192217789 /nfs/dbraw/zinc/21/77/89/192217789.db2.gz FASDOHMFSVCHHX-GFCCVEGCSA-N 2 0 214.353 1.208 20 0 BDADRP COc1cccc([C@@H](C)[N@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000420350066 192218306 /nfs/dbraw/zinc/21/83/06/192218306.db2.gz FQWUQBBVLURMRK-PWSUYJOCSA-N 2 0 238.331 1.008 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc[nH]c(=O)c2)C1 ZINC000639512736 356349824 /nfs/dbraw/zinc/34/98/24/356349824.db2.gz XMQFXBNAYAJRFE-ZDUSSCGKSA-N 2 0 249.358 1.561 20 0 BDADRP C[C@H]1CC(C)(C)C[C@](CO)([NH2+]CCC[NH3+])C1 ZINC000420303959 192208975 /nfs/dbraw/zinc/20/89/75/192208975.db2.gz OBIHMFYHNOWPRJ-WCQYABFASA-N 2 0 228.380 1.502 20 0 BDADRP CC[NH+](CC)CCCN1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000420304104 192209317 /nfs/dbraw/zinc/20/93/17/192209317.db2.gz XYJCCSJALGEGJW-CHWSQXEVSA-N 2 0 227.396 1.401 20 0 BDADRP CO[C@@]1(C)C[C@H]([N@H+](C)CCC[NH3+])C1(C)C ZINC000420308444 192210837 /nfs/dbraw/zinc/21/08/37/192210837.db2.gz SGDZPQCRRXVZJW-JQWIXIFHSA-N 2 0 214.353 1.471 20 0 BDADRP CC[N@H+](CCCC(=O)OC)[C@@H]1CCC[NH2+]CC1 ZINC000420309373 192210849 /nfs/dbraw/zinc/21/08/49/192210849.db2.gz LFUXORPPIZPVIH-GFCCVEGCSA-N 2 0 242.363 1.404 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC[C@H]3CCCCO3)C[C@H]12 ZINC000420308307 192211492 /nfs/dbraw/zinc/21/14/92/192211492.db2.gz NKHOFJKRHFUSOO-YIYPIFLZSA-N 2 0 238.375 1.615 20 0 BDADRP CCOC(=O)CC[NH+]1CCC(CC[NH2+]C)CC1 ZINC000420310109 192211649 /nfs/dbraw/zinc/21/16/49/192211649.db2.gz PMHMJMPYTNQRMN-UHFFFAOYSA-N 2 0 242.363 1.261 20 0 BDADRP CC[NH+](CC)CCCN1[C@H](C)C[NH2+]C[C@@H]1C ZINC000420313840 192212325 /nfs/dbraw/zinc/21/23/25/192212325.db2.gz PZPOZLFBWKRSNG-BETUJISGSA-N 2 0 227.396 1.401 20 0 BDADRP Cc1cc(C)c2c(c1)C[N@@H+](CCOCC[NH3+])CC2 ZINC000420367516 192226418 /nfs/dbraw/zinc/22/64/18/192226418.db2.gz GWTWMKAZFXUCHU-UHFFFAOYSA-N 2 0 248.370 1.637 20 0 BDADRP Cc1ccccc1[C@@H](C)[NH2+]CCN1CC[NH2+]CC1 ZINC000420366538 192226508 /nfs/dbraw/zinc/22/65/08/192226508.db2.gz GAVHTPGZKWUKRZ-CQSZACIVSA-N 2 0 247.386 1.551 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420322059 192228397 /nfs/dbraw/zinc/22/83/97/192228397.db2.gz RXXLKYPLOZHKJC-JHJVBQTASA-N 3 0 225.380 1.045 20 0 BDADRP C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)OCC1CC1 ZINC000420325774 192229289 /nfs/dbraw/zinc/22/92/89/192229289.db2.gz BUHJALCGZJFAFL-OKILXGFUSA-N 2 0 238.375 1.344 20 0 BDADRP CN(CC[N@H+](C)C1CC([NH3+])C1)c1ccccc1 ZINC000420327517 192229794 /nfs/dbraw/zinc/22/97/94/192229794.db2.gz GNASCBNCINOFRK-UHFFFAOYSA-N 2 0 233.359 1.544 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000420325285 192230020 /nfs/dbraw/zinc/23/00/20/192230020.db2.gz BKOBPQXVRQBLSA-UONOGXRCSA-N 2 0 241.423 1.778 20 0 BDADRP C[C@@H]1CCN[C@H](C)[C@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000420372231 192230064 /nfs/dbraw/zinc/23/00/64/192230064.db2.gz QBPRNGVKBLSEFY-MQYQWHSLSA-N 2 0 239.407 1.352 20 0 BDADRP CCC[C@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000420361350 192221474 /nfs/dbraw/zinc/22/14/74/192221474.db2.gz NIRMYEGPWGZLFX-KBPBESRZSA-N 2 0 240.391 1.877 20 0 BDADRP CCOC(=O)CC1CC[NH+](CCC[NH2+]C)CC1 ZINC000420362325 192223028 /nfs/dbraw/zinc/22/30/28/192223028.db2.gz NYLPPCAAGRBTFQ-UHFFFAOYSA-N 2 0 242.363 1.261 20 0 BDADRP CCOCCC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420384461 192234951 /nfs/dbraw/zinc/23/49/51/192234951.db2.gz DVNNHRKKXKFPDO-KGLIPLIRSA-N 2 0 240.391 1.877 20 0 BDADRP CC1(C)CCC[C@@H]1[NH2+]CCOCC[NH3+] ZINC000420395167 192236677 /nfs/dbraw/zinc/23/66/77/192236677.db2.gz CYAHBUPORWDFNZ-JTQLQIEISA-N 2 0 200.326 1.130 20 0 BDADRP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CCOCC[NH3+] ZINC000420408187 192239894 /nfs/dbraw/zinc/23/98/94/192239894.db2.gz PDNFJNUXCUAFFP-STQMWFEESA-N 2 0 228.380 1.766 20 0 BDADRP C[NH2+]CCCN1CC[NH2+]C[C@H]1c1ccccc1 ZINC000420414591 192241135 /nfs/dbraw/zinc/24/11/35/192241135.db2.gz UMFGOBSHFCADIE-AWEZNQCLSA-N 2 0 233.359 1.242 20 0 BDADRP CC[C@H]1CCC[C@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000420422419 192242504 /nfs/dbraw/zinc/24/25/04/192242504.db2.gz ZLBDOFOIWONEIQ-QWHCGFSZSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CCOCC[NH3+])[C@@H](C)C1 ZINC000420421297 192242534 /nfs/dbraw/zinc/24/25/34/192242534.db2.gz YQJBXFUHPHGTEL-WOPDTQHZSA-N 2 0 214.353 1.376 20 0 BDADRP CCn1nccc1C[N@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420373673 192231138 /nfs/dbraw/zinc/23/11/38/192231138.db2.gz MVFIFIDDAJNWEJ-LBPRGKRZSA-N 2 0 236.363 1.334 20 0 BDADRP COC[C@H]1CCCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420377559 192232835 /nfs/dbraw/zinc/23/28/35/192232835.db2.gz SNHMBRHWTRQRQO-KBPBESRZSA-N 2 0 240.391 1.735 20 0 BDADRP Cc1cc(C)c(C[N@H+]2C[C@H](O)C[C@@H]2C)c(C)n1 ZINC000639551052 356434155 /nfs/dbraw/zinc/43/41/55/356434155.db2.gz GHQGJWIABMFKSS-WCQYABFASA-N 2 0 234.343 1.962 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2C[C@@H](O)C2)C[C@@H]1C ZINC000420917783 192272480 /nfs/dbraw/zinc/27/24/80/192272480.db2.gz UBMCZXRWUHQAEV-XDQVBPFNSA-N 2 0 240.391 1.562 20 0 BDADRP CC(C)[C@@](C)(C[NH3+])[NH2+]CCOCC1CC1 ZINC000261567542 535308879 /nfs/dbraw/zinc/30/88/79/535308879.db2.gz DZEVXZATWWZFSN-GFCCVEGCSA-N 2 0 214.353 1.376 20 0 BDADRP CC[NH+](CC)CCCN(C)C[C@H]1CCC[N@@H+]1C ZINC000420992512 192292782 /nfs/dbraw/zinc/29/27/82/192292782.db2.gz CBQGWDICAFLGOA-CQSZACIVSA-N 2 0 241.423 1.744 20 0 BDADRP CCN1CCCC[C@H]1C[NH2+][C@@H](C)CCC[NH3+] ZINC000422911903 192503888 /nfs/dbraw/zinc/50/38/88/192503888.db2.gz UUQKKKUQKRQNFT-STQMWFEESA-N 2 0 227.396 1.578 20 0 BDADRP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000422902245 192513667 /nfs/dbraw/zinc/51/36/67/192513667.db2.gz MKTPOVNBWCGSMQ-VOAKCMCISA-N 2 0 226.364 1.532 20 0 BDADRP CO[C@H]1CCC[C@@H]1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000423015154 192540983 /nfs/dbraw/zinc/54/09/83/192540983.db2.gz KAHQIOKSAFWXJA-HHTDUIENSA-N 2 0 240.391 1.909 20 0 BDADRP CO[C@H](CC[NH2+][C@H](C)CCC[NH3+])C(F)(F)F ZINC000423072106 192559323 /nfs/dbraw/zinc/55/93/23/192559323.db2.gz PDMUZLWRLOCGGI-RKDXNWHRSA-N 2 0 242.285 1.671 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000423114244 192571572 /nfs/dbraw/zinc/57/15/72/192571572.db2.gz ZBIPJDMFHUMPPG-IJLUTSLNSA-N 2 0 228.380 1.907 20 0 BDADRP CC(C)[C@H](CO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423110582 192571849 /nfs/dbraw/zinc/57/18/49/192571849.db2.gz PETATCLGQFPCTO-ACJTYDJDSA-N 2 0 226.364 1.124 20 0 BDADRP [NH3+]CC1CCC([NH2+]CCN2CC=CCC2)CC1 ZINC000423095616 192565191 /nfs/dbraw/zinc/56/51/91/192565191.db2.gz MQXJWWWAWMGLHA-UHFFFAOYSA-N 2 0 237.391 1.355 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CCCCC[NH+]1CCCC1 ZINC000423129564 192578063 /nfs/dbraw/zinc/57/80/63/192578063.db2.gz FHVWWEFXWWXAAR-CQSZACIVSA-N 3 0 241.423 1.970 20 0 BDADRP Cc1cc(N2CC[C@H](C)[C@H](C[NH3+])C2)cc[nH+]1 ZINC000167683723 134153512 /nfs/dbraw/zinc/15/35/12/134153512.db2.gz NQVSSLBPNWYOEW-CMPLNLGQSA-N 2 0 219.332 1.811 20 0 BDADRP CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000423138379 192583343 /nfs/dbraw/zinc/58/33/43/192583343.db2.gz JEBGUOBKIARBBH-AXFHLTTASA-N 2 0 202.342 1.517 20 0 BDADRP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCCCCF)C1 ZINC000639769385 356708686 /nfs/dbraw/zinc/70/86/86/356708686.db2.gz YEZJJRWSHVZPKB-ZDUSSCGKSA-N 2 0 246.370 1.515 20 0 BDADRP CCC[C@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000450431565 202165241 /nfs/dbraw/zinc/16/52/41/202165241.db2.gz ZZIFKBORNBKRET-KGLIPLIRSA-N 2 0 240.391 1.565 20 0 BDADRP C[C@@H](CCCCO)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423160940 192598429 /nfs/dbraw/zinc/59/84/29/192598429.db2.gz RJHIPQQJWQOXNH-HIFPTAJRSA-N 2 0 228.380 1.645 20 0 BDADRP CC(C)C[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623373036 356882205 /nfs/dbraw/zinc/88/22/05/356882205.db2.gz PWJYBYKMORFPNM-CHWSQXEVSA-N 2 0 242.407 1.856 20 0 BDADRP C[NH+](C)CCCC[NH2+]Cc1cccc2n[nH]cc21 ZINC000623383276 356907508 /nfs/dbraw/zinc/90/75/08/356907508.db2.gz LZJBMELFVHRJSD-UHFFFAOYSA-N 2 0 246.358 1.994 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)CCOC)C1 ZINC000088536902 491104804 /nfs/dbraw/zinc/10/48/04/491104804.db2.gz KNKPKLVGKRDNCM-QWHCGFSZSA-N 2 0 228.380 1.685 20 0 BDADRP C[C@H]1C[C@H]1CN(CC[NH+](C)C)CC[NH+](C)C ZINC000582268194 356986912 /nfs/dbraw/zinc/98/69/12/356986912.db2.gz CEVQIRMRPKYMNQ-STQMWFEESA-N 2 0 227.396 1.068 20 0 BDADRP C[NH2+]CCC[NH2+][C@H]1CCc2ccccc2OC1 ZINC000423198951 192623023 /nfs/dbraw/zinc/62/30/23/192623023.db2.gz ITFWDZQJPNRVAI-ZDUSSCGKSA-N 2 0 234.343 1.579 20 0 BDADRP CC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000362908164 356950689 /nfs/dbraw/zinc/95/06/89/356950689.db2.gz YTKZXFBCJWUTHC-UHFFFAOYSA-N 2 0 226.364 1.441 20 0 BDADRP CC[NH+]1CCC([NH2+]CC2(C(=O)OC)CC2)CC1 ZINC000363002011 356952075 /nfs/dbraw/zinc/95/20/75/356952075.db2.gz QZDVBUJXNRSSRV-UHFFFAOYSA-N 2 0 240.347 1.014 20 0 BDADRP CC(C)C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000115546973 356956425 /nfs/dbraw/zinc/95/64/25/356956425.db2.gz JRMVPXSPRFFNCV-UHFFFAOYSA-N 2 0 228.380 1.421 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCN(C(C)(C)C)C1=O ZINC000582302006 357040325 /nfs/dbraw/zinc/04/03/25/357040325.db2.gz RDQBJZWKDFDBNB-HBNTYKKESA-N 2 0 241.379 1.101 20 0 BDADRP CC[C@H]([NH2+]C1CCC([NH3+])CC1)c1cnn(C)c1 ZINC000423221170 192632030 /nfs/dbraw/zinc/63/20/30/192632030.db2.gz WMNNICQJMZHSPM-BPCQOVAHSA-N 2 0 236.363 1.731 20 0 BDADRP CO[C@H](C)CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623396475 357020926 /nfs/dbraw/zinc/02/09/26/357020926.db2.gz TWVNGFFVWZHKAS-NEPJUHHUSA-N 2 0 228.380 1.874 20 0 BDADRP CCO[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000390678169 357111223 /nfs/dbraw/zinc/11/12/23/357111223.db2.gz YMCQCQMFIIHPGQ-ZDEQEGDKSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@H](N[C@@H](C[NH3+])C1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000423258632 192655921 /nfs/dbraw/zinc/65/59/21/192655921.db2.gz CDWPYUOJIKYDTQ-UBHSHLNASA-N 2 0 239.407 1.624 20 0 BDADRP COC[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)C(C)C ZINC000423257554 192656123 /nfs/dbraw/zinc/65/61/23/192656123.db2.gz JZYBTALMGZCOKG-STQMWFEESA-N 2 0 228.380 1.637 20 0 BDADRP Cc1ncsc1CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000391126499 357122658 /nfs/dbraw/zinc/12/26/58/357122658.db2.gz DPIOXXBEUDTZFV-QWRGUYRKSA-N 2 0 239.388 1.854 20 0 BDADRP CC[C@H](CCO)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000156812461 538799307 /nfs/dbraw/zinc/79/93/07/538799307.db2.gz NLHMMBXGALZRNF-WCQYABFASA-N 2 0 228.380 1.467 20 0 BDADRP C[C@@H]1C[N@@H+]([C@H]2CCCSC2)C[C@H]1[NH3+] ZINC000300048885 357177682 /nfs/dbraw/zinc/17/76/82/357177682.db2.gz NMHZBGBOMZIEPC-KXUCPTDWSA-N 2 0 200.351 1.161 20 0 BDADRP CC(C)(O)C(C)(C)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000393605134 357289288 /nfs/dbraw/zinc/28/92/88/357289288.db2.gz XSYKRXDAYZRUBC-WDEREUQCSA-N 2 0 228.380 1.643 20 0 BDADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)CCCC[NH3+] ZINC000582595862 357346628 /nfs/dbraw/zinc/34/66/28/357346628.db2.gz YCSPXRTXFVIHGF-NSHDSACASA-N 2 0 241.379 1.010 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@@H](C)c1c[nH+]ccc1N ZINC000423293734 192683328 /nfs/dbraw/zinc/68/33/28/192683328.db2.gz AQMRIRDJLGIHBJ-WDEREUQCSA-N 2 0 236.363 1.662 20 0 BDADRP COC[C@@H](C)C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000583071818 357473106 /nfs/dbraw/zinc/47/31/06/357473106.db2.gz JUWZZOYSCRCSJP-NSHDSACASA-N 2 0 214.353 1.248 20 0 BDADRP Cc1nccnc1CC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000583078292 357473762 /nfs/dbraw/zinc/47/37/62/357473762.db2.gz LGZJFPHNNBXXMF-JSGCOSHPSA-N 2 0 248.374 1.435 20 0 BDADRP CCN(CCC[NH+](CC)CC)C(=O)C[C@@H](C)[NH3+] ZINC000230713004 357573457 /nfs/dbraw/zinc/57/34/57/357573457.db2.gz JBFGVTZZVFPNAL-GFCCVEGCSA-N 2 0 243.395 1.304 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCC[C@@H]1C ZINC000230659284 357546323 /nfs/dbraw/zinc/54/63/23/357546323.db2.gz SXXDTJXAJIEUQK-XQQFMLRXSA-N 2 0 228.380 1.766 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCSCCCO ZINC000230785094 357564769 /nfs/dbraw/zinc/56/47/69/357564769.db2.gz HTACQTAEHOLOJE-NWDGAFQWSA-N 2 0 246.420 1.209 20 0 BDADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1cccs1 ZINC000231786949 357628694 /nfs/dbraw/zinc/62/86/94/357628694.db2.gz NPQOONQYKHMVRF-LLVKDONJSA-N 2 0 242.388 1.977 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+]CC2(O)CCC2)CC1(C)C ZINC000623412547 357595602 /nfs/dbraw/zinc/59/56/02/357595602.db2.gz PNTJGEZCYPQJTA-LLVKDONJSA-N 2 0 226.364 1.364 20 0 BDADRP CC(C)(C)[C@H](CCO)[NH2+]C1CCC([NH3+])CC1 ZINC000231076702 357597253 /nfs/dbraw/zinc/59/72/53/357597253.db2.gz XFJXIIDROCHXPT-MCIGGMRASA-N 2 0 228.380 1.643 20 0 BDADRP CC(C)COCC[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000232637157 357669464 /nfs/dbraw/zinc/66/94/64/357669464.db2.gz BOKCLXRTTKKAKZ-ZDUSSCGKSA-N 2 0 230.396 1.964 20 0 BDADRP CC[NH+](CC)CC(=O)NC[C@H](C)[NH+](CC)CC ZINC000063737417 357715974 /nfs/dbraw/zinc/71/59/74/357715974.db2.gz BEHZSWHLLWMVJX-LBPRGKRZSA-N 2 0 243.395 1.175 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCC2(O)CCC2)C1 ZINC000397765915 357682252 /nfs/dbraw/zinc/68/22/52/357682252.db2.gz YWTCXTCBDUEEAI-QWRGUYRKSA-N 2 0 212.337 1.151 20 0 BDADRP COCCCCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000234622587 357820454 /nfs/dbraw/zinc/82/04/54/357820454.db2.gz IQSCVUCLEXGPPR-QWHCGFSZSA-N 2 0 228.380 1.910 20 0 BDADRP COCCCCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000234622378 357820819 /nfs/dbraw/zinc/82/08/19/357820819.db2.gz IQSCVUCLEXGPPR-CHWSQXEVSA-N 2 0 228.380 1.910 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CCC1CCCC1 ZINC000234715127 357827170 /nfs/dbraw/zinc/82/71/70/357827170.db2.gz YVKXBUFVVGGJGP-CYBMUJFWSA-N 2 0 228.380 1.910 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CCc1ccccc1 ZINC000234786474 357828722 /nfs/dbraw/zinc/82/87/22/357828722.db2.gz YBJRICMRVUGDBD-AWEZNQCLSA-N 2 0 236.359 1.573 20 0 BDADRP CCC[C@@](C)(O)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623416250 357831714 /nfs/dbraw/zinc/83/17/14/357831714.db2.gz OKIUPOOPGULBGU-GXTWGEPZSA-N 2 0 242.407 2.000 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCCOC(F)F)C1 ZINC000398272079 357882090 /nfs/dbraw/zinc/88/20/90/357882090.db2.gz VJRVCRWPRTYCBB-DTWKUNHWSA-N 2 0 222.279 1.475 20 0 BDADRP C[C@@H]1C[C@@H](NCc2cncnc2)CC[N@@H+]1C ZINC000090721354 363596399 /nfs/dbraw/zinc/59/63/99/363596399.db2.gz RACUEQXDSTXVQA-PWSUYJOCSA-N 2 0 220.320 1.049 20 0 BDADRP CCC[N@H+](CC)CCN[C@@H]1CCC[NH2+]CC1 ZINC000217644986 134249435 /nfs/dbraw/zinc/24/94/35/134249435.db2.gz CBPVWZCGWRLFHQ-CYBMUJFWSA-N 2 0 227.396 1.450 20 0 BDADRP CC[C@H](C)N(C)CC[NH2+]C1CCC([NH3+])CC1 ZINC000217922237 134251074 /nfs/dbraw/zinc/25/10/74/134251074.db2.gz FSWPJLYREYKILQ-HIFPTAJRSA-N 3 0 227.396 1.576 20 0 BDADRP CC(C)[C@@H](O)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623421194 358165249 /nfs/dbraw/zinc/16/52/49/358165249.db2.gz BEEAECBAEGOJHZ-RYUDHWBXSA-N 2 0 228.380 1.466 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000222897859 358212863 /nfs/dbraw/zinc/21/28/63/358212863.db2.gz DPDQJOSPGCBIAG-ZIAGYGMSSA-N 2 0 239.407 1.530 20 0 BDADRP C[C@H](C[NH+]1CCCCC1)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000222959509 358216511 /nfs/dbraw/zinc/21/65/11/358216511.db2.gz QFJPMOUPCFTOPQ-MGPQQGTHSA-N 2 0 239.407 1.720 20 0 BDADRP COC[C@@H](C)C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000225714587 358331786 /nfs/dbraw/zinc/33/17/86/358331786.db2.gz AKTLJMIKFZKEHB-NWDGAFQWSA-N 2 0 216.369 1.574 20 0 BDADRP CC(C)(C)NC(=O)CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000228334610 358373828 /nfs/dbraw/zinc/37/38/28/358373828.db2.gz PQNTXFRNHFLKMN-WDEREUQCSA-N 2 0 241.379 1.151 20 0 BDADRP C[C@H](CCCO)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000227538423 358359495 /nfs/dbraw/zinc/35/94/95/358359495.db2.gz WEALGBUWPDUOEY-MXWKQRLJSA-N 2 0 200.326 1.007 20 0 BDADRP CSCCCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000229208009 358363699 /nfs/dbraw/zinc/36/36/99/358363699.db2.gz DTOILFWZXJCSDX-WDEREUQCSA-N 2 0 216.394 1.989 20 0 BDADRP CC[NH+]1CCC(C[NH2+]C2CCN(C)CC2)CC1 ZINC000044517347 358388454 /nfs/dbraw/zinc/38/84/54/358388454.db2.gz QAFYNXHYVDEROI-UHFFFAOYSA-N 2 0 239.407 1.402 20 0 BDADRP COCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000045038836 358400278 /nfs/dbraw/zinc/40/02/78/358400278.db2.gz RNMSDKUJCBRMHA-NEPJUHHUSA-N 2 0 214.353 1.343 20 0 BDADRP C[C@H]1CCC[C@H](C)C1[NH2+]CCOCC[NH+](C)C ZINC000219322120 134281371 /nfs/dbraw/zinc/28/13/71/134281371.db2.gz YHWIVBMEJJKZJO-STQMWFEESA-N 2 0 242.407 1.979 20 0 BDADRP CC[NH+](CC)CCCNC(=O)[C@@H](C[NH3+])C(C)C ZINC000044794111 358554138 /nfs/dbraw/zinc/55/41/38/358554138.db2.gz UMQNSNYEIKJTBV-LBPRGKRZSA-N 2 0 243.395 1.065 20 0 BDADRP COC1CCC([NH2+][C@H]2CCN(C3CC3)C2)CC1 ZINC000130044414 358605625 /nfs/dbraw/zinc/60/56/25/358605625.db2.gz NJIGJKBROULWAJ-LXVYMNJGSA-N 2 0 238.375 1.770 20 0 BDADRP C1C[C@@H]2C[C@H]([NH2+][C@@H]3CCCOC3)CC[N@@H+]2C1 ZINC000130214542 358615469 /nfs/dbraw/zinc/61/54/69/358615469.db2.gz VPEYVKXRBBRSTR-JHJVBQTASA-N 2 0 224.348 1.382 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@H]1CCSC1 ZINC000300231325 358589576 /nfs/dbraw/zinc/58/95/76/358589576.db2.gz GQOMWEAJSGZPQZ-GMTAPVOTSA-N 2 0 214.378 1.551 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623429989 358689798 /nfs/dbraw/zinc/68/97/98/358689798.db2.gz YTBODGUEERVHOY-OLZOCXBDSA-N 2 0 242.407 2.000 20 0 BDADRP C[C@@H](CC[NH+](C)C)NC(=O)C1([NH3+])CCCCC1 ZINC000049559724 358695381 /nfs/dbraw/zinc/69/53/81/358695381.db2.gz ATEIJWSGEGNBFZ-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP CCC(O)(CC)C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000133021833 358743473 /nfs/dbraw/zinc/74/34/73/358743473.db2.gz CBDZBYNSJHVBKC-NWDGAFQWSA-N 2 0 228.380 1.467 20 0 BDADRP C[N@H+](CCC[NH3+])CCOc1ccc(Cl)cc1 ZINC000133197706 358747718 /nfs/dbraw/zinc/74/77/18/358747718.db2.gz ANWNFMQANUSFHP-UHFFFAOYSA-N 2 0 242.750 1.999 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@@H](O)C(C)C)CC1 ZINC000133714868 358766578 /nfs/dbraw/zinc/76/65/78/358766578.db2.gz IUBOSTPUGVJWPB-CYBMUJFWSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@H](CCCO)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132183368 358709624 /nfs/dbraw/zinc/70/96/24/358709624.db2.gz JAYGPSSXPGPFIK-DDTOSNHZSA-N 2 0 234.343 1.882 20 0 BDADRP CC(C)[C@H](CO)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132169866 358709796 /nfs/dbraw/zinc/70/97/96/358709796.db2.gz DOTDWQFRHDVYEW-MJBXVCDLSA-N 2 0 234.343 1.738 20 0 BDADRP CC[N@H+](CCCn1ccnc1)CCC(=O)OC ZINC000050053654 358710291 /nfs/dbraw/zinc/71/02/91/358710291.db2.gz FKKJRVFHZKJKJQ-UHFFFAOYSA-N 2 0 239.319 1.158 20 0 BDADRP COC(=O)CC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000050068524 358713075 /nfs/dbraw/zinc/71/30/75/358713075.db2.gz JCEHCDLDUXEOAI-GFCCVEGCSA-N 2 0 242.363 1.356 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@@H](C[NH2+]C)C1 ZINC000053012710 358805831 /nfs/dbraw/zinc/80/58/31/358805831.db2.gz VEPCIKYVTYDGNN-ZDUSSCGKSA-N 2 0 227.396 1.260 20 0 BDADRP CCC[NH2+]CCN[C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423307551 192695484 /nfs/dbraw/zinc/69/54/84/192695484.db2.gz HAWROUACDRKAMH-UKRRQHHQSA-N 2 0 249.402 1.534 20 0 BDADRP C[C@H](CC[NH3+])[NH2+]Cc1cccc2c1OCCO2 ZINC000136133722 358865355 /nfs/dbraw/zinc/86/53/55/358865355.db2.gz ZFHHMAZAZXTUNC-SNVBAGLBSA-N 2 0 236.315 1.285 20 0 BDADRP c1c[nH]c(CNC2CC[NH+](C3CCCC3)CC2)n1 ZINC000176992498 134295138 /nfs/dbraw/zinc/29/51/38/134295138.db2.gz RPIWUEOXULQCMD-UHFFFAOYSA-N 2 0 248.374 1.906 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCCC[NH2+]1 ZINC000578348581 366532863 /nfs/dbraw/zinc/53/28/63/366532863.db2.gz AHSYPFYPJULYFM-XUXIUFHCSA-N 3 0 239.407 1.624 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)CCO1 ZINC000069857080 359035019 /nfs/dbraw/zinc/03/50/19/359035019.db2.gz HVZPHMNXUALGHQ-NEPJUHHUSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@H](C[NH3+])N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423318830 192703754 /nfs/dbraw/zinc/70/37/54/192703754.db2.gz DVBWSCHKIBVOKH-GGZOMVNGSA-N 2 0 205.305 1.068 20 0 BDADRP [NH3+]CCCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000423327033 192707985 /nfs/dbraw/zinc/70/79/85/192707985.db2.gz MRQLZPFVRWXWHU-YNEHKIRRSA-N 2 0 238.375 1.663 20 0 BDADRP CC[C@@H]([NH2+]CCCC[NH3+])[C@@H]1CCCC[NH2+]1 ZINC000423330010 192711890 /nfs/dbraw/zinc/71/18/90/192711890.db2.gz PJPXOCRSQJRROR-NEPJUHHUSA-N 3 0 213.369 1.236 20 0 BDADRP CCOCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247942595 359249634 /nfs/dbraw/zinc/24/96/34/359249634.db2.gz DDQLUMBYAJTCLI-STQMWFEESA-N 2 0 226.364 1.439 20 0 BDADRP CC[C@H](C)[C@H](C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000248167617 359257037 /nfs/dbraw/zinc/25/70/37/359257037.db2.gz UBYXUGSHJIUPNN-MJBXVCDLSA-N 2 0 241.423 1.647 20 0 BDADRP COCC1(C[NH2+][C@H](C)[C@H]2C[C@H]2C)CC[NH2+]CC1 ZINC000423413359 192747309 /nfs/dbraw/zinc/74/73/09/192747309.db2.gz YZRCIUDGBKBQTO-UPJWGTAASA-N 2 0 240.391 1.637 20 0 BDADRP C[C@@H](NC[C@H]1[NH2+]CCCC1(C)C)[C@@H]1CCC[NH2+]1 ZINC000423393237 192764633 /nfs/dbraw/zinc/76/46/33/192764633.db2.gz QVLOYJKLFXTDDD-FRRDWIJNSA-N 2 0 239.407 1.495 20 0 BDADRP CC(C)[C@H](Cn1cccn1)[NH2+][C@H](C)CCC[NH3+] ZINC000423444512 192771934 /nfs/dbraw/zinc/77/19/34/192771934.db2.gz AZNJAEAHHRGZFZ-OLZOCXBDSA-N 2 0 238.379 1.625 20 0 BDADRP CC[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)[C@H]1CCOC1 ZINC000423474808 192786812 /nfs/dbraw/zinc/78/68/12/192786812.db2.gz HNKPSIADOKTYIT-IHRRRGAJSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cnn(C)c1 ZINC000423491019 192792518 /nfs/dbraw/zinc/79/25/18/192792518.db2.gz YPFNBQFYOKNKIR-WCQYABFASA-N 2 0 236.363 1.603 20 0 BDADRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cnn(C)c1 ZINC000423491018 192792837 /nfs/dbraw/zinc/79/28/37/192792837.db2.gz YPFNBQFYOKNKIR-DGCLKSJQSA-N 2 0 236.363 1.603 20 0 BDADRP CCn1cc([C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)cn1 ZINC000423536889 192808183 /nfs/dbraw/zinc/80/81/83/192808183.db2.gz IMTGGOVHWTZKTD-GFCCVEGCSA-N 2 0 248.374 1.863 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H](C)O)C1 ZINC000580434600 359545978 /nfs/dbraw/zinc/54/59/78/359545978.db2.gz BWSVEDVLSFJGMX-IJLUTSLNSA-N 2 0 214.353 1.077 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H](C)O)C1 ZINC000580434601 359546003 /nfs/dbraw/zinc/54/60/03/359546003.db2.gz BWSVEDVLSFJGMX-QJPTWQEYSA-N 2 0 214.353 1.077 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](CCCc2ccncc2)C1 ZINC000580445852 359562643 /nfs/dbraw/zinc/56/26/43/359562643.db2.gz IWKUKRZZQHVVMF-AWEZNQCLSA-N 2 0 233.359 1.685 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCO[C@H](C3CC3)C2)C1 ZINC000580465331 359570280 /nfs/dbraw/zinc/57/02/80/359570280.db2.gz FANCYJCFSJRYQW-RFGFWPKPSA-N 2 0 238.375 1.804 20 0 BDADRP C[C@H]1C[C@H](NCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000379652681 359574615 /nfs/dbraw/zinc/57/46/15/359574615.db2.gz XRHVHBKABIFHNC-DZGCQCFKSA-N 2 0 247.386 1.588 20 0 BDADRP C[C@@H]1CN(C)C[C@H]1[NH2+][C@@H]1CCC(F)(F)C1 ZINC000309119092 491145153 /nfs/dbraw/zinc/14/51/53/491145153.db2.gz MTPRFEBYEZYESA-OPRDCNLKSA-N 2 0 218.291 1.714 20 0 BDADRP C[NH2+]C1CCN(Cc2cccc(O)c2)CC1 ZINC000087185292 359900457 /nfs/dbraw/zinc/90/04/57/359900457.db2.gz QGXQIHFBUICCNM-UHFFFAOYSA-N 2 0 220.316 1.576 20 0 BDADRP CC[N@H+](CCCn1ccnc1C)C1COC1 ZINC000451287280 202396425 /nfs/dbraw/zinc/39/64/25/202396425.db2.gz PZTYTBHYEJLJEZ-UHFFFAOYSA-N 2 0 223.320 1.302 20 0 BDADRP COC[C@H]([NH2+]CC(C)(C)C[NH+](C)C)C1CC1 ZINC000087477018 359914145 /nfs/dbraw/zinc/91/41/45/359914145.db2.gz ZWHCJNYIPHNBRW-LBPRGKRZSA-N 2 0 228.380 1.589 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cccnc1 ZINC000087646147 359921827 /nfs/dbraw/zinc/92/18/27/359921827.db2.gz KCNXCVLFVBDOSV-RYUDHWBXSA-N 2 0 219.332 1.732 20 0 BDADRP [NH3+]C1CCC([NH2+]C[C@H]2CCCS2)CC1 ZINC000087668090 359923332 /nfs/dbraw/zinc/92/33/32/359923332.db2.gz XIHMYUVTUWGQCR-VQXHTEKXSA-N 2 0 214.378 1.742 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]CCC[NH+](C)C)C12CCC2 ZINC000087708849 359924642 /nfs/dbraw/zinc/92/46/42/359924642.db2.gz KHVZROJSYWSHLX-QWHCGFSZSA-N 2 0 240.391 1.875 20 0 BDADRP CC[NH+](CC)CCCN[C@H]1CCCC[C@H]1C[NH3+] ZINC000089139595 359991793 /nfs/dbraw/zinc/99/17/93/359991793.db2.gz OENQHAOQCVKYOV-KBPBESRZSA-N 2 0 241.423 1.825 20 0 BDADRP CC[C@H]([NH2+]CCC1(COC)CC1)[C@@H]1CCC[NH2+]1 ZINC000578867858 366657233 /nfs/dbraw/zinc/65/72/33/366657233.db2.gz GCDVSBXESUKFRU-STQMWFEESA-N 2 0 240.391 1.923 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000089145874 359993207 /nfs/dbraw/zinc/99/32/07/359993207.db2.gz NMLNSYMOHIXTPH-SCRDCRAPSA-N 2 0 237.391 1.330 20 0 BDADRP CCCCC[N@H+](CCO)CC[C@H]1CCC[NH+]1C ZINC000089427955 360019594 /nfs/dbraw/zinc/01/95/94/360019594.db2.gz QJJAGRFXZOJCSL-CQSZACIVSA-N 2 0 242.407 1.955 20 0 BDADRP COC(=O)[C@H](C)C[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000089425420 360019988 /nfs/dbraw/zinc/01/99/88/360019988.db2.gz KEFYJNRRFMVCLE-NEPJUHHUSA-N 2 0 242.363 1.212 20 0 BDADRP C[C@H](CN[C@@H]1CCC[C@@H]1C[NH3+])C[NH+]1CCCC1 ZINC000089150636 359993966 /nfs/dbraw/zinc/99/39/66/359993966.db2.gz LGNNXMHVRPBVRG-MGPQQGTHSA-N 2 0 239.407 1.435 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]CCCn1ccnc1 ZINC000093462944 360246084 /nfs/dbraw/zinc/24/60/84/360246084.db2.gz QUUWFZNILAUGIS-OLZOCXBDSA-N 2 0 236.363 1.393 20 0 BDADRP CCC[C@@H](CCO)[NH2+]Cc1cccc2nccn21 ZINC000631198284 360740752 /nfs/dbraw/zinc/74/07/52/360740752.db2.gz IHLNGBWBYXSRSL-LBPRGKRZSA-N 2 0 247.342 1.975 20 0 BDADRP CC[C@@H](COC)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414838249 200769251 /nfs/dbraw/zinc/76/92/51/200769251.db2.gz VFQMEWDMFZAYLL-QWRGUYRKSA-N 2 0 200.326 1.001 20 0 BDADRP C(C[NH+]1CCC2(CC[NH2+]C2)CC1)OCC1CC1 ZINC000431042274 192901343 /nfs/dbraw/zinc/90/13/43/192901343.db2.gz FPPRDTLZHOVADO-UHFFFAOYSA-N 2 0 238.375 1.489 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCCOCC1 ZINC000629389265 361037130 /nfs/dbraw/zinc/03/71/30/361037130.db2.gz UBVQOGDNFJFCPP-GRYCIOLGSA-N 2 0 212.337 1.286 20 0 BDADRP CC(C)C[C@@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629387329 361039010 /nfs/dbraw/zinc/03/90/10/361039010.db2.gz HSGQCSCWTAUBAR-LLVKDONJSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@@H]1CCC[C@H]([NH2+]CC2([NH3+])CCOCC2)C1 ZINC000629387030 361039070 /nfs/dbraw/zinc/03/90/70/361039070.db2.gz CXKLRUFLUSMHGL-NEPJUHHUSA-N 2 0 226.364 1.663 20 0 BDADRP COc1ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422726949 200854946 /nfs/dbraw/zinc/85/49/46/200854946.db2.gz AXQIUFUKAHQJOX-GHMZBOCLSA-N 2 0 222.332 1.911 20 0 BDADRP C[C@@H]1CCC[C@@H]([NH2+]CCOCCC[NH3+])[C@@H]1C ZINC000629399089 361046651 /nfs/dbraw/zinc/04/66/51/361046651.db2.gz CMSYVHVWTCMFED-JHJVBQTASA-N 2 0 228.380 1.766 20 0 BDADRP CC[C@@H]1CCC[C@H]([NH2+]CCOCCC[NH3+])C1 ZINC000629399275 361049887 /nfs/dbraw/zinc/04/98/87/361049887.db2.gz FFOAMLYQVIMBLD-OLZOCXBDSA-N 2 0 228.380 1.910 20 0 BDADRP CC1(C)CCC[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629400373 361051775 /nfs/dbraw/zinc/05/17/75/361051775.db2.gz VMRLNTNJOJMDDH-NSHDSACASA-N 2 0 214.353 1.520 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000629402776 361052443 /nfs/dbraw/zinc/05/24/43/361052443.db2.gz FEGHEDCSLVFKHP-STQMWFEESA-N 2 0 244.379 1.016 20 0 BDADRP C1CC2(C1)[NH2+]CC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000629512105 361105715 /nfs/dbraw/zinc/10/57/15/361105715.db2.gz ALCOHNMKHTXNPE-RQJABVFESA-N 2 0 249.402 1.249 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000629511941 361105910 /nfs/dbraw/zinc/10/59/10/361105910.db2.gz CKTQNPSJXGNAHP-SOUVJXGZSA-N 2 0 246.354 1.597 20 0 BDADRP [NH3+]C1(C[NH2+][C@H]2CCCC23CCC3)CCOCC1 ZINC000629520061 361120192 /nfs/dbraw/zinc/12/01/92/361120192.db2.gz KAJVLURQJWOGFZ-LBPRGKRZSA-N 2 0 238.375 1.807 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CCCN(Cc2cccnc2N)C1 ZINC000629510432 361108742 /nfs/dbraw/zinc/10/87/42/361108742.db2.gz UEUMJKRISWOYFG-MNOVXSKESA-N 2 0 234.347 1.223 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000629517339 361114195 /nfs/dbraw/zinc/11/41/95/361114195.db2.gz LVIWMYIIYNHARK-YNEHKIRRSA-N 2 0 238.375 1.818 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000629526250 361128387 /nfs/dbraw/zinc/12/83/87/361128387.db2.gz OAWPEPPYADSOLP-KWCYVHTRSA-N 3 0 239.407 1.447 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000629527576 361130198 /nfs/dbraw/zinc/13/01/98/361130198.db2.gz ZEFNIHDHCLILKF-MROQNXINSA-N 2 0 226.364 1.532 20 0 BDADRP CCO[C@H](C[NH+]1CCC(C)([NH3+])CC1)C1CC1 ZINC000629527588 361130569 /nfs/dbraw/zinc/13/05/69/361130569.db2.gz ZPPHAEAPFKEJPY-GFCCVEGCSA-N 2 0 226.364 1.615 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000629528139 361131785 /nfs/dbraw/zinc/13/17/85/361131785.db2.gz QFEJMSNECBCIMJ-WUHRBBMRSA-N 2 0 225.380 1.234 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCOC[C@@H]1C ZINC000629527031 361132358 /nfs/dbraw/zinc/13/23/58/361132358.db2.gz IGKBNWVCIHCBAX-NNYUYHANSA-N 2 0 212.337 1.142 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCCC[C@H]2[NH3+])CC[NH2+]1 ZINC000424362815 200922114 /nfs/dbraw/zinc/92/21/14/200922114.db2.gz AZSMRDQOSIHXBI-YVECIDJPSA-N 3 0 225.380 1.234 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CCCCC[C@H]1[NH3+] ZINC000629527905 361135491 /nfs/dbraw/zinc/13/54/91/361135491.db2.gz JAFFFARJWVAKQV-MROQNXINSA-N 2 0 225.380 1.377 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccco1 ZINC000629528524 361136772 /nfs/dbraw/zinc/13/67/72/361136772.db2.gz BEPAOTRHNQADQI-JTQLQIEISA-N 2 0 212.293 1.166 20 0 BDADRP CCC[C@H]([NH2+]CCOCC[NH2+]C)C1CCC1 ZINC000629530352 361144482 /nfs/dbraw/zinc/14/44/82/361144482.db2.gz DIFRWICQAMYOQX-ZDUSSCGKSA-N 2 0 228.380 1.781 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H]1CCCc2cccnc21 ZINC000629530538 361144717 /nfs/dbraw/zinc/14/47/17/361144717.db2.gz JKJKBRMWDYCTNZ-ZDUSSCGKSA-N 2 0 249.358 1.285 20 0 BDADRP CCO[C@H](C[N@@H+]1CC[C@@](C)(C[NH3+])C1)C1CC1 ZINC000629530678 361145633 /nfs/dbraw/zinc/14/56/33/361145633.db2.gz NHXYJVDIIDJGRA-OLZOCXBDSA-N 2 0 226.364 1.472 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000629530722 361145828 /nfs/dbraw/zinc/14/58/28/361145828.db2.gz PBELITOBPHWGGJ-NWDGAFQWSA-N 2 0 228.380 1.637 20 0 BDADRP Nc1ncccc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000629532350 361151878 /nfs/dbraw/zinc/15/18/78/361151878.db2.gz WKOHYUBWNLOKAV-UHFFFAOYSA-N 2 0 246.358 1.239 20 0 BDADRP CC(C)CC[C@H](CO)[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000629524553 361124373 /nfs/dbraw/zinc/12/43/73/361124373.db2.gz SBRALMUVAWLBBX-GRYCIOLGSA-N 2 0 216.369 1.499 20 0 BDADRP COCCCC[NH+]1CCC(C[NH3+])CC1 ZINC000158501471 361198976 /nfs/dbraw/zinc/19/89/76/361198976.db2.gz PRZZRZBQEHMCBX-UHFFFAOYSA-N 2 0 200.326 1.084 20 0 BDADRP CCSCC[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000158567664 361204158 /nfs/dbraw/zinc/20/41/58/361204158.db2.gz HMOPAZVEBSLSED-JTQLQIEISA-N 2 0 202.367 1.410 20 0 BDADRP CC[C@H](C(=O)N[C@H](C)C[C@@H](C)[NH3+])[NH+](CC)CC ZINC000578993302 366689234 /nfs/dbraw/zinc/68/92/34/366689234.db2.gz SJRCCECWIUGCET-IJLUTSLNSA-N 2 0 243.395 1.349 20 0 BDADRP C[C@H](C(N)=O)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532273 361302328 /nfs/dbraw/zinc/30/23/28/361302328.db2.gz SAFPSXLKRWHBLD-GFCCVEGCSA-N 2 0 241.379 1.058 20 0 BDADRP C[C@H]([NH3+])CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000622044816 370677281 /nfs/dbraw/zinc/67/72/81/370677281.db2.gz TYVGRBKPIHNVIT-WUHRBBMRSA-N 2 0 225.380 1.234 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+]CC[C@H](C)[NH3+])C12CCC2 ZINC000622045345 370679612 /nfs/dbraw/zinc/67/96/12/370679612.db2.gz OCGYXMWBMMWAOU-TUAOUCFPSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)CC1CCOCC1 ZINC000622045464 370680074 /nfs/dbraw/zinc/68/00/74/370680074.db2.gz WOTPKBBXWUIJOS-QWRGUYRKSA-N 2 0 214.353 1.519 20 0 BDADRP [NH3+]CCC[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000162525328 361354060 /nfs/dbraw/zinc/35/40/60/361354060.db2.gz ZSPIDHUIFDBBNS-LBPRGKRZSA-N 2 0 208.280 1.751 20 0 BDADRP CCO[C@H](C[NH2+][C@@H]1CC[NH2+]CC1(C)C)C1CC1 ZINC000629537697 361400620 /nfs/dbraw/zinc/40/06/20/361400620.db2.gz PVAUUQYKQKGCME-CHWSQXEVSA-N 2 0 240.391 1.779 20 0 BDADRP CCC[C@H]([NH2+]CCOCCC[NH3+])C1CCC1 ZINC000629537861 361402448 /nfs/dbraw/zinc/40/24/48/361402448.db2.gz LKYMCURUMDOQIJ-ZDUSSCGKSA-N 2 0 228.380 1.910 20 0 BDADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1cccc(O)c1 ZINC000629537964 361402620 /nfs/dbraw/zinc/40/26/20/361402620.db2.gz LKLGOGGXEHMJNL-LLVKDONJSA-N 2 0 238.331 1.408 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000629538568 361403519 /nfs/dbraw/zinc/40/35/19/361403519.db2.gz OJXRXYVJCPEAJI-FHUSYTEZSA-N 2 0 228.380 1.905 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000629538566 361403704 /nfs/dbraw/zinc/40/37/04/361403704.db2.gz OJXRXYVJCPEAJI-BNDIWNMDSA-N 2 0 228.380 1.905 20 0 BDADRP Cc1cnccc1CN(C)CC(C)(C)[NH3+] ZINC000629543462 361412021 /nfs/dbraw/zinc/41/20/21/361412021.db2.gz BYVHNVHNDSFPPE-UHFFFAOYSA-N 2 0 207.321 1.559 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000429570593 201119349 /nfs/dbraw/zinc/11/93/49/201119349.db2.gz BHLORHTWHUYLKR-WCQGTBRESA-N 2 0 247.342 1.772 20 0 BDADRP C[C@]12C[C@H]1CCC[C@H]2[NH2+]CCOCCC[NH3+] ZINC000629540046 361414296 /nfs/dbraw/zinc/41/42/96/361414296.db2.gz RZPCORMJWQRMPP-UPJWGTAASA-N 2 0 226.364 1.520 20 0 BDADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccccc1 ZINC000629540871 361415669 /nfs/dbraw/zinc/41/56/69/361415669.db2.gz PSMFVDMODRSMFV-GFCCVEGCSA-N 2 0 222.332 1.703 20 0 BDADRP C[C@H]([NH2+]CCOCCC[NH3+])c1ccccc1 ZINC000629540872 361415234 /nfs/dbraw/zinc/41/52/34/361415234.db2.gz PSMFVDMODRSMFV-LBPRGKRZSA-N 2 0 222.332 1.703 20 0 BDADRP [NH3+]CCCOCC[NH2+][C@H](C1CC1)C1CCC1 ZINC000629535696 361410041 /nfs/dbraw/zinc/41/00/41/361410041.db2.gz DCNAHMLHMRPDNH-ZDUSSCGKSA-N 2 0 226.364 1.520 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])C1 ZINC000629554618 361438085 /nfs/dbraw/zinc/43/80/85/361438085.db2.gz KVQOJACLCLJAAU-XWLWVQCSSA-N 2 0 200.326 1.127 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1C[C@@H](OC)C1)[C@@H]1CCC[NH2+]1 ZINC000629553930 361440339 /nfs/dbraw/zinc/44/03/39/361440339.db2.gz DTLQLNYDLLROSL-RNJOBUHISA-N 2 0 226.364 1.532 20 0 BDADRP C[C@@H]1C[C@@H]1CN1CC2CCC1(C[NH3+])CC2 ZINC000629549632 361441885 /nfs/dbraw/zinc/44/18/85/361441885.db2.gz SWSYMWHNIMHOTR-CQLXCSJHSA-N 2 0 208.349 1.846 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000629549974 361442660 /nfs/dbraw/zinc/44/26/60/361442660.db2.gz UMQQSSRYKSDPSC-WXHSDQCUSA-N 2 0 226.364 1.661 20 0 BDADRP CC[C@H]([NH2+]CCOCCC[NH3+])C(C)C ZINC000629541994 361417921 /nfs/dbraw/zinc/41/79/21/361417921.db2.gz WHKVFSIUNAQWOR-NSHDSACASA-N 2 0 202.342 1.376 20 0 BDADRP C[C@H]([NH2+]CCOCCC[NH3+])c1cccc(F)c1 ZINC000629542437 361419268 /nfs/dbraw/zinc/41/92/68/361419268.db2.gz ZIVARGYCQOWRBC-NSHDSACASA-N 2 0 240.322 1.842 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)Cc1cccc(F)c1 ZINC000629565716 361459401 /nfs/dbraw/zinc/45/94/01/361459401.db2.gz GAWKMHUBKIYPSV-UHFFFAOYSA-N 2 0 240.322 1.494 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)Cc1ccncc1C ZINC000629572639 361464679 /nfs/dbraw/zinc/46/46/79/361464679.db2.gz ZSIIITSDLSXVID-UHFFFAOYSA-N 2 0 237.347 1.058 20 0 BDADRP C[C@@H]1CC(F)(F)CC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000629576779 361467828 /nfs/dbraw/zinc/46/78/28/361467828.db2.gz SXIMZBLDWRAODI-ZJUUUORDSA-N 2 0 218.291 1.716 20 0 BDADRP CC(=O)Nc1cccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000430943541 201159500 /nfs/dbraw/zinc/15/95/00/201159500.db2.gz PKVBSHQVWQSPIX-ZDUSSCGKSA-N 2 0 247.342 1.426 20 0 BDADRP C[C@@H]1C[C@H]1C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629593215 361484772 /nfs/dbraw/zinc/48/47/72/361484772.db2.gz ITGCTSFYSLNRGJ-XQHKEYJVSA-N 2 0 208.349 1.574 20 0 BDADRP C/C=C/C[C@@H]1CCC[N@@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000629594413 361486169 /nfs/dbraw/zinc/48/61/69/361486169.db2.gz CDBFRZAUHCUEPM-WEHDMVHDSA-N 2 0 240.391 1.635 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629562478 361455818 /nfs/dbraw/zinc/45/58/18/361455818.db2.gz AKSUAVIKLTVEKC-IUCAKERBSA-N 2 0 224.270 1.854 20 0 BDADRP [NH3+]C[C@H]1C[N@H+](CC2CC2)CC[C@@H]1C(F)(F)F ZINC000629561776 361456286 /nfs/dbraw/zinc/45/62/86/361456286.db2.gz JGZHHOKESWXCBW-UWVGGRQHSA-N 2 0 236.281 1.856 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC2=CCCOC2)C1 ZINC000629647020 361535221 /nfs/dbraw/zinc/53/52/21/361535221.db2.gz JHNJPXGLFFIOIC-ZYHUDNBSSA-N 2 0 210.321 1.002 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC1=CCCOC1 ZINC000629646808 361535445 /nfs/dbraw/zinc/53/54/45/361535445.db2.gz FDQRENKHNGAKRU-PWSUYJOCSA-N 2 0 210.321 1.002 20 0 BDADRP COC1(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)CCCC1 ZINC000629649509 361544321 /nfs/dbraw/zinc/54/43/21/361544321.db2.gz UHWIUDBPIWMJGD-RYUDHWBXSA-N 2 0 226.364 1.676 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccn(C)c1 ZINC000629650378 361548615 /nfs/dbraw/zinc/54/86/15/361548615.db2.gz SSHVBDRQLNIORI-GFCCVEGCSA-N 2 0 209.337 1.488 20 0 BDADRP Cn1ccc(C[N@H+](C)CC(C)(C)C[NH3+])c1 ZINC000629652224 361549576 /nfs/dbraw/zinc/54/95/76/361549576.db2.gz YGOFKFGUCFCKGL-UHFFFAOYSA-N 2 0 209.337 1.442 20 0 BDADRP C[C@]1(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)CC[NH2+]C1 ZINC000629653017 361551140 /nfs/dbraw/zinc/55/11/40/361551140.db2.gz FDUPQLXEYHKMKW-AGIUHOORSA-N 2 0 240.416 1.956 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)C[C@H]1CCC[C@H](C)C1 ZINC000629652669 361551705 /nfs/dbraw/zinc/55/17/05/361551705.db2.gz BWNQORUICKRRMX-KBPBESRZSA-N 2 0 242.407 1.981 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](Cc2ccn(C)c2)C1 ZINC000629651452 361557437 /nfs/dbraw/zinc/55/74/37/361557437.db2.gz GOWXTRKZZCFJAY-LLVKDONJSA-N 2 0 207.321 1.066 20 0 BDADRP C[C@@H](C[NH2+]CCOCCC[NH3+])C(C)(C)C ZINC000629677712 361600949 /nfs/dbraw/zinc/60/09/49/361600949.db2.gz DVAQLGBFJCLJNH-NSHDSACASA-N 2 0 216.369 1.624 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@@H](CCF)C2)CC[NH2+]1 ZINC000629666480 361587435 /nfs/dbraw/zinc/58/74/35/361587435.db2.gz REMFRRTWIXWUHB-AGIUHOORSA-N 2 0 244.354 1.435 20 0 BDADRP C[N@H+](CCOCC[NH3+])C[C@@H]1C[C@H]1c1ccccc1 ZINC000629666477 361587791 /nfs/dbraw/zinc/58/77/91/361587791.db2.gz REHWXWCSZHZZRZ-GJZGRUSLSA-N 2 0 248.370 1.697 20 0 BDADRP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000629668708 361588920 /nfs/dbraw/zinc/58/89/20/361588920.db2.gz JEFSNBXWYFEHQI-MELADBBJSA-N 2 0 240.391 1.454 20 0 BDADRP CC[N@H+](C[C@H]1CCCOC1)[C@@H]1CCC[NH2+]CC1 ZINC000435388717 201268456 /nfs/dbraw/zinc/26/84/56/201268456.db2.gz GWEIRQQMOCSVOY-ZIAGYGMSSA-N 2 0 240.391 1.877 20 0 BDADRP c1cc2c(cc1C1=CC[NH2+]CC1)C[NH2+]CC2 ZINC000629723284 361664756 /nfs/dbraw/zinc/66/47/56/361664756.db2.gz MDYPOAQECFFBNS-UHFFFAOYSA-N 2 0 214.312 1.709 20 0 BDADRP CC[N@H+](CCn1cccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435614923 201279743 /nfs/dbraw/zinc/27/97/43/201279743.db2.gz NTTHAMNYJJPMAI-CYBMUJFWSA-N 2 0 236.363 1.347 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]C2CCC([NH3+])CC2)c2ccccc21 ZINC000132086154 181342524 /nfs/dbraw/zinc/34/25/24/181342524.db2.gz BIWBCXLRUHKBDH-RLNQVHQUSA-N 3 0 245.370 1.991 20 0 BDADRP C1=C(c2nc3c(s2)C[NH2+]CC3)CC[NH2+]C1 ZINC000629723191 361662733 /nfs/dbraw/zinc/66/27/33/361662733.db2.gz IUDFGLUFRLSPMI-UHFFFAOYSA-N 2 0 221.329 1.166 20 0 BDADRP [NH3+]C1CC[NH+](CCCOc2ccccc2)CC1 ZINC000020266873 181343817 /nfs/dbraw/zinc/34/38/17/181343817.db2.gz YFNAWWBCDBZGEJ-UHFFFAOYSA-N 2 0 234.343 1.879 20 0 BDADRP CC[N@H+](CCN[C@H]1CC[NH+](C)[C@H](C)C1)C1CC1 ZINC000155820456 201354013 /nfs/dbraw/zinc/35/40/13/201354013.db2.gz YVOLLRASIUISTF-OLZOCXBDSA-N 2 0 239.407 1.543 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000437782782 201372244 /nfs/dbraw/zinc/37/22/44/201372244.db2.gz HCGJOALJKUHSFE-OLZOCXBDSA-N 2 0 226.364 1.297 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)C(C)(C)O)CC1 ZINC000083725701 491162695 /nfs/dbraw/zinc/16/26/95/491162695.db2.gz NFWXYAIZVNFTOO-NSHDSACASA-N 2 0 228.380 1.608 20 0 BDADRP C[NH2+][C@H](C)c1cn(-c2cccc(C[NH3+])c2)nn1 ZINC000630607086 364331377 /nfs/dbraw/zinc/33/13/77/364331377.db2.gz CIXHXFWMDWODFD-SECBINFHSA-N 2 0 231.303 1.006 20 0 BDADRP C[C@H](O)CC[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000305156196 364618749 /nfs/dbraw/zinc/61/87/49/364618749.db2.gz VUBZZKQCSVKJLF-LBPRGKRZSA-N 2 0 240.391 1.754 20 0 BDADRP CC(C)[NH+]1CCC(N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000399006863 364693596 /nfs/dbraw/zinc/69/35/96/364693596.db2.gz YZNQUSGRPZFMCH-TZMCWYRMSA-N 2 0 239.407 1.589 20 0 BDADRP C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000573338664 364804975 /nfs/dbraw/zinc/80/49/75/364804975.db2.gz VDMVNQCAMIWVRZ-FDYHWXHSSA-N 2 0 226.364 1.519 20 0 BDADRP [NH3+]CC1CC[NH+](C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000328198443 364816590 /nfs/dbraw/zinc/81/65/90/364816590.db2.gz RGDTZKNYUKMSPH-STQMWFEESA-N 2 0 226.364 1.208 20 0 BDADRP C[C@H](O)[C@H]1CCCN(CC[NH2+]C(C)(C)C)C1 ZINC000573425808 364829596 /nfs/dbraw/zinc/82/95/96/364829596.db2.gz BKSVYKBTJIZAIV-RYUDHWBXSA-N 2 0 228.380 1.467 20 0 BDADRP [NH3+]CCC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000042427855 181371782 /nfs/dbraw/zinc/37/17/82/181371782.db2.gz ZNXIGAQTYLTSNP-GFCCVEGCSA-N 2 0 212.337 1.084 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@@H]1c1nc(C2([NH3+])CCC2)no1 ZINC000573800890 364917857 /nfs/dbraw/zinc/91/78/57/364917857.db2.gz DDAHAYRWIRRRKB-IUCAKERBSA-N 2 0 236.319 1.263 20 0 BDADRP [NH3+]CCCC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000037715494 181377248 /nfs/dbraw/zinc/37/72/48/181377248.db2.gz SLXCZCCVSPAMHA-CQSZACIVSA-N 2 0 218.344 1.872 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)[C@]23C[C@H]2CC[NH2+]3)cc1 ZINC000574043200 364975500 /nfs/dbraw/zinc/97/55/00/364975500.db2.gz WLVVWNLZMDWHCU-RISCZKNCSA-N 2 0 245.326 1.097 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H]2CNCC[C@@H]2C)CC1 ZINC000574188350 365006976 /nfs/dbraw/zinc/00/69/76/365006976.db2.gz BBJVXDOILGNKQP-JSGCOSHPSA-N 2 0 239.407 1.306 20 0 BDADRP [NH3+]CCC[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000034492678 181381536 /nfs/dbraw/zinc/38/15/36/181381536.db2.gz UVORGVYHGZVQCX-GFCCVEGCSA-N 2 0 205.305 1.567 20 0 BDADRP CCn1cc(CN2CC[C@@H]([NH3+])C[C@@H]2C)cn1 ZINC000168974050 365047154 /nfs/dbraw/zinc/04/71/54/365047154.db2.gz JDKKAKBUIVYGQG-CMPLNLGQSA-N 2 0 222.336 1.215 20 0 BDADRP C[C@H](O)[C@H](C)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000574392831 365051260 /nfs/dbraw/zinc/05/12/60/365051260.db2.gz IGWNIZULSMMUDJ-BJDJZHNGSA-N 2 0 214.353 1.218 20 0 BDADRP [NH3+]CCN1CC[NH+](CC2CCCCC2)CC1 ZINC000019933478 181391298 /nfs/dbraw/zinc/39/12/98/181391298.db2.gz WMYNTJHGXYSYQR-UHFFFAOYSA-N 2 0 225.380 1.143 20 0 BDADRP Cc1n[nH]cc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442926508 193005036 /nfs/dbraw/zinc/00/50/36/193005036.db2.gz YVHLPOMWIGACKV-LLVKDONJSA-N 2 0 222.336 1.279 20 0 BDADRP CC[C@H]1C[N@H+](C)CCN1CC[C@@H]1CCC[NH+]1C ZINC000574807132 365147347 /nfs/dbraw/zinc/14/73/47/365147347.db2.gz PMAJDCLDVZDZIC-KBPBESRZSA-N 2 0 239.407 1.497 20 0 BDADRP CC[C@@H]1C[N@H+](C)CCN1CC[C@H]1CCC[NH+]1C ZINC000574807135 365147829 /nfs/dbraw/zinc/14/78/29/365147829.db2.gz PMAJDCLDVZDZIC-ZIAGYGMSSA-N 2 0 239.407 1.497 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCOC[C@@H]1CCCO1 ZINC000575372965 365302907 /nfs/dbraw/zinc/30/29/07/365302907.db2.gz OQZYOGFUEYEIOK-OLZOCXBDSA-N 2 0 244.379 1.289 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@@](C)(O)C2CC2)CC1 ZINC000336697688 365359165 /nfs/dbraw/zinc/35/91/65/365359165.db2.gz ZGQZYQDCHVSLGW-CYBMUJFWSA-N 2 0 226.364 1.221 20 0 BDADRP COC[C@@H](C)C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000575850666 365384502 /nfs/dbraw/zinc/38/45/02/365384502.db2.gz NBZWLELWPLDBJG-RYUDHWBXSA-N 2 0 214.353 1.248 20 0 BDADRP C[NH2+]CCC[N@H+](CCCO)Cc1ccccc1 ZINC000575928665 365418248 /nfs/dbraw/zinc/41/82/48/365418248.db2.gz VMVRIWQCCPLZAS-UHFFFAOYSA-N 2 0 236.359 1.481 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000576002985 365445203 /nfs/dbraw/zinc/44/52/03/365445203.db2.gz IHTONSIYTFQQKK-DBIOUOCHSA-N 2 0 200.326 1.269 20 0 BDADRP C[NH2+][C@@H](C)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000579614105 366910175 /nfs/dbraw/zinc/91/01/75/366910175.db2.gz QSAHFIXZWAHQBQ-IUCAKERBSA-N 2 0 221.304 1.253 20 0 BDADRP C[C@@H]1C[C@H](N2CCC[C@@H]([NH+](C)C)C2)CC[NH2+]1 ZINC000232055595 541503604 /nfs/dbraw/zinc/50/36/04/541503604.db2.gz WROMIHKYSGXTLR-JHJVBQTASA-N 2 0 225.380 1.153 20 0 BDADRP CC1(C)CCC[NH2+][C@@H]1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000579731494 366996568 /nfs/dbraw/zinc/99/65/68/366996568.db2.gz LKEWAPXZGCPXNZ-FRRDWIJNSA-N 2 0 239.407 1.624 20 0 BDADRP COCC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185702432 367140223 /nfs/dbraw/zinc/14/02/23/367140223.db2.gz ZRNOQLKCFAGNSP-STQMWFEESA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]([NH2+]C1CC1)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000579950888 367098857 /nfs/dbraw/zinc/09/88/57/367098857.db2.gz ZZXINDTUWKADRP-SECBINFHSA-N 2 0 245.326 1.369 20 0 BDADRP FC1(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000580833238 367181068 /nfs/dbraw/zinc/18/10/68/367181068.db2.gz COURIVGDZZHFIJ-LBPRGKRZSA-N 2 0 226.339 1.953 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCC[C@H]1OC ZINC000380700231 367282296 /nfs/dbraw/zinc/28/22/96/367282296.db2.gz KTGXJKROVJREHJ-CHWSQXEVSA-N 2 0 228.380 1.875 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@H]1C ZINC000381053200 367344359 /nfs/dbraw/zinc/34/43/59/367344359.db2.gz IMBHQSGNHAZSJF-UPJWGTAASA-N 2 0 228.380 1.467 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000581185262 367287051 /nfs/dbraw/zinc/28/70/51/367287051.db2.gz NMOUJQFOKYAYEP-UONOGXRCSA-N 3 0 237.391 1.546 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000581297845 367326980 /nfs/dbraw/zinc/32/69/80/367326980.db2.gz AGLAYEQRPCKOKP-LBPRGKRZSA-N 2 0 244.342 1.557 20 0 BDADRP [NH3+]C1(c2noc(C3([NH3+])CCCCC3)n2)CCC1 ZINC000581369369 367401840 /nfs/dbraw/zinc/40/18/40/367401840.db2.gz VUOFEPIUMJDAJD-UHFFFAOYSA-N 2 0 236.319 1.526 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCOC2(C)C)C1 ZINC000381908682 367469784 /nfs/dbraw/zinc/46/97/84/367469784.db2.gz AIJVORZDXGFITB-NWDGAFQWSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]([NH2+]CCC[NH2+]C1CC1)[C@H]1CCCO1 ZINC000382548461 367537303 /nfs/dbraw/zinc/53/73/03/367537303.db2.gz BJCGSNZKFXMSBH-ZYHUDNBSSA-N 2 0 212.337 1.286 20 0 BDADRP C[C@@H]([NH2+]CCC[NH2+]C1CC1)[C@@H]1CCCO1 ZINC000382548460 367537403 /nfs/dbraw/zinc/53/74/03/367537403.db2.gz BJCGSNZKFXMSBH-PWSUYJOCSA-N 2 0 212.337 1.286 20 0 BDADRP C[NH2+]CCSCC[C@H]1CCCC[N@@H+]1C ZINC000382643467 367550058 /nfs/dbraw/zinc/55/00/58/367550058.db2.gz GTSNYZPXDONOHQ-LLVKDONJSA-N 2 0 216.394 1.813 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@@H]3CCCC[C@@H]3O)C[C@@H]12 ZINC000383264906 367609144 /nfs/dbraw/zinc/60/91/44/367609144.db2.gz GLSZTQZNFPHBPQ-ITGHMWBKSA-N 2 0 238.375 1.207 20 0 BDADRP C[C@@H]1CCC[C@@H]1C[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000383613680 367644483 /nfs/dbraw/zinc/64/44/83/367644483.db2.gz TVXPOSGGZDYREU-YRGRVCCFSA-N 2 0 240.391 1.467 20 0 BDADRP CCN(C)C[C@H](O)C[N@H+](CC)C1CCCCC1 ZINC000383517582 367631604 /nfs/dbraw/zinc/63/16/04/367631604.db2.gz HSFQIPRQCKMHDS-AWEZNQCLSA-N 2 0 242.407 1.954 20 0 BDADRP CC(C)[NH2+]CCC[NH2+][C@H]1CCO[C@H]1C ZINC000581661123 367661455 /nfs/dbraw/zinc/66/14/55/367661455.db2.gz NPBJOTWRYYVTCS-QWRGUYRKSA-N 2 0 200.326 1.142 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CC2CCC1CC2 ZINC000384179741 367674566 /nfs/dbraw/zinc/67/45/66/367674566.db2.gz YZDDZPNFGMZSRS-PQAZSJQKSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@H](CN(C)C[C@@H](O)C[NH3+])c1ccccc1 ZINC000384320568 367685281 /nfs/dbraw/zinc/68/52/81/367685281.db2.gz OOAMAFRDVUUMGE-YPMHNXCESA-N 2 0 222.332 1.042 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000384339946 367685394 /nfs/dbraw/zinc/68/53/94/367685394.db2.gz CAZVMJOMYMUHJB-UPJWGTAASA-N 2 0 228.380 1.502 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000384545344 367699110 /nfs/dbraw/zinc/69/91/10/367699110.db2.gz HJMHFVRBNOCQAI-XJFOESAGSA-N 2 0 242.407 1.713 20 0 BDADRP C[C@H](C[NH2+][C@@H]1C[C@H](C)O[C@@H]1C)C[NH+](C)C ZINC000384864989 367746037 /nfs/dbraw/zinc/74/60/37/367746037.db2.gz FCJXJHJRQQVEBL-WRWGMCAJSA-N 2 0 214.353 1.340 20 0 BDADRP COC[C@@H]([NH2+]CC1CC[NH2+]CC1)C1CCCC1 ZINC000566088070 325992344 /nfs/dbraw/zinc/99/23/44/325992344.db2.gz VSEBHGNMSJYYSG-CQSZACIVSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C2CCC([NH3+])CC2)[C@H](C)O1 ZINC000384661177 367712900 /nfs/dbraw/zinc/71/29/00/367712900.db2.gz WAOAEQHGLASMKV-FESBJMALSA-N 2 0 212.337 1.412 20 0 BDADRP C[C@H](CC(C)(C)O)[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000385248986 367813585 /nfs/dbraw/zinc/81/35/85/367813585.db2.gz WRVUTMPYGWPXAN-FVCCEPFGSA-N 2 0 242.407 1.854 20 0 BDADRP Cc1cnccc1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000385041705 367777236 /nfs/dbraw/zinc/77/72/36/367777236.db2.gz OCJVQOWEBUDJMT-JSGCOSHPSA-N 2 0 233.359 1.949 20 0 BDADRP CCC(C)(C)[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000581878692 367864718 /nfs/dbraw/zinc/86/47/18/367864718.db2.gz BDAUSNZCGVFYFY-VXGBXAGGSA-N 2 0 228.380 1.779 20 0 BDADRP Cc1nn(C)cc1CN(C)C1(C[NH3+])CCC1 ZINC000385288693 367817187 /nfs/dbraw/zinc/81/71/87/367817187.db2.gz CHQDUSYGHNIMOV-UHFFFAOYSA-N 2 0 222.336 1.042 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCOC1)[C@@H]1CCCC[NH2+]1 ZINC000386091900 367911372 /nfs/dbraw/zinc/91/13/72/367911372.db2.gz IGVNRCQBDQLONM-TUAOUCFPSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H]([NH2+]CC1(CCO)CC1)[C@@H]1CCCC[NH2+]1 ZINC000385974071 367891865 /nfs/dbraw/zinc/89/18/65/367891865.db2.gz BUYWCTFLQQYIDD-RYUDHWBXSA-N 2 0 226.364 1.269 20 0 BDADRP C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000385999322 367895659 /nfs/dbraw/zinc/89/56/59/367895659.db2.gz KIZAVDJXCZAMKT-RQJABVFESA-N 2 0 239.407 1.589 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@H]1CCCC[NH2+]1 ZINC000386039352 367901728 /nfs/dbraw/zinc/90/17/28/367901728.db2.gz SJVKPKYWFFFOCI-GXTWGEPZSA-N 3 0 239.407 1.448 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1CCCC[NH2+]1 ZINC000386039353 367901927 /nfs/dbraw/zinc/90/19/27/367901927.db2.gz SJVKPKYWFFFOCI-JSGCOSHPSA-N 3 0 239.407 1.448 20 0 BDADRP C[C@H](NCC[NH+]1CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000386046894 367902893 /nfs/dbraw/zinc/90/28/93/367902893.db2.gz UNXRGQFXXIXMHC-KBPBESRZSA-N 2 0 239.407 1.593 20 0 BDADRP C[C@H](CCO)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386540715 367989302 /nfs/dbraw/zinc/98/93/02/367989302.db2.gz DDWRETFWZNALNQ-IJLUTSLNSA-N 2 0 214.353 1.125 20 0 BDADRP CC(C)[N@H+](C)CCN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386620921 368002914 /nfs/dbraw/zinc/00/29/14/368002914.db2.gz YEGPHOPVBTWZRV-STQMWFEESA-N 2 0 227.396 1.447 20 0 BDADRP C[C@@H]1C[C@@H](C[NH+]2CCC(CC[NH3+])CC2)CC[NH2+]1 ZINC000581947005 367974385 /nfs/dbraw/zinc/97/43/85/367974385.db2.gz JRRBJYYMZFKNMG-OCCSQVGLSA-N 3 0 239.407 1.435 20 0 BDADRP CC[C@H](CN[C@H](C)[C@@H]1CCCC[NH2+]1)OC ZINC000386612515 368002229 /nfs/dbraw/zinc/00/22/29/368002229.db2.gz WWFQEBMXFVEMOK-UTUOFQBUSA-N 2 0 214.353 1.532 20 0 BDADRP CC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)[C@H](C)O ZINC000386760871 368019542 /nfs/dbraw/zinc/01/95/42/368019542.db2.gz IIJYJGIUSDBLTN-AAEUAGOBSA-N 2 0 228.380 1.608 20 0 BDADRP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)[C@@H](C)O ZINC000386879380 368031728 /nfs/dbraw/zinc/03/17/28/368031728.db2.gz LWWIKRALAYXZBE-WBMYTEFPSA-N 2 0 234.343 1.880 20 0 BDADRP C[NH2+]Cc1ccccc1NC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000581997740 368098485 /nfs/dbraw/zinc/09/84/85/368098485.db2.gz WRNFNWFDTXGYGX-NXEZZACHSA-N 2 0 235.331 1.328 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])[C@H](C)O ZINC000387379357 368163857 /nfs/dbraw/zinc/16/38/57/368163857.db2.gz YMDQYIFGRYSHKS-DCAQKATOSA-N 2 0 202.342 1.253 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])[C@@H](C)O ZINC000387379355 368164703 /nfs/dbraw/zinc/16/47/03/368164703.db2.gz YMDQYIFGRYSHKS-AXFHLTTASA-N 2 0 202.342 1.253 20 0 BDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H](C)[NH+](C)C ZINC000387403185 368169150 /nfs/dbraw/zinc/16/91/50/368169150.db2.gz BAUBJLIVLGEUMV-WDEREUQCSA-N 2 0 243.395 1.077 20 0 BDADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@H](C)[NH+](C)C ZINC000387403183 368169211 /nfs/dbraw/zinc/16/92/11/368169211.db2.gz BAUBJLIVLGEUMV-QWRGUYRKSA-N 2 0 243.395 1.077 20 0 BDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(N)=[NH2+] ZINC000066245813 368642649 /nfs/dbraw/zinc/64/26/49/368642649.db2.gz UATLUSYAJJHBPJ-SNVBAGLBSA-N 2 0 212.341 1.124 20 0 BDADRP CC[NH+]1CCC(C[NH2+]Cc2cncn2C)CC1 ZINC000112837614 368876180 /nfs/dbraw/zinc/87/61/80/368876180.db2.gz WROKSVGWLOIOJY-UHFFFAOYSA-N 2 0 236.363 1.242 20 0 BDADRP C[C@H](CC[NH+](C)C)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000086403677 368880031 /nfs/dbraw/zinc/88/00/31/368880031.db2.gz FZHHCERJGNSKHU-GRYCIOLGSA-N 2 0 213.369 1.186 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCc2ccncc2)C1 ZINC000086403272 368880264 /nfs/dbraw/zinc/88/02/64/368880264.db2.gz FASHEOPOSCJVCF-OLZOCXBDSA-N 2 0 219.332 1.484 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCN2CCCCC2)C1 ZINC000086403689 368880403 /nfs/dbraw/zinc/88/04/03/368880403.db2.gz JBSXVYPGKVWMEN-OLZOCXBDSA-N 2 0 225.380 1.332 20 0 BDADRP Nc1ccc2c(c1)CC[C@H]2[NH2+]CCC[NH3+] ZINC000086728283 368884098 /nfs/dbraw/zinc/88/40/98/368884098.db2.gz YUJYUMDHUYZNPV-GFCCVEGCSA-N 2 0 205.305 1.195 20 0 BDADRP Cc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000089146008 368937171 /nfs/dbraw/zinc/93/71/71/368937171.db2.gz ATDCZOSMPKOIAN-TZMCWYRMSA-N 2 0 233.359 1.997 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)[C@H](C)O1 ZINC000623657135 368997909 /nfs/dbraw/zinc/99/79/09/368997909.db2.gz KIPXFXNWIXXATD-RQJABVFESA-N 2 0 240.391 1.874 20 0 BDADRP CC[NH+]1CCC(C[NH2+]Cc2ccn(C)c2)CC1 ZINC000091008752 369004494 /nfs/dbraw/zinc/00/44/94/369004494.db2.gz LWXFYXFIBMJQKW-UHFFFAOYSA-N 2 0 235.375 1.847 20 0 BDADRP C[C@@H]1C[N@H+](CCCOc2ccccc2)C[C@H]1C[NH3+] ZINC000631839843 369187418 /nfs/dbraw/zinc/18/74/18/369187418.db2.gz LPPJVGODMSWIEA-ZIAGYGMSSA-N 2 0 248.370 1.982 20 0 BDADRP CC[C@H]1CO[C@H](C)C[N@@H+]1CCc1cncn1C ZINC000459291159 203248125 /nfs/dbraw/zinc/24/81/25/203248125.db2.gz CNFAOFMHZBWZQN-NEPJUHHUSA-N 2 0 237.347 1.462 20 0 BDADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]C[C@H](C)O ZINC000459407340 203276950 /nfs/dbraw/zinc/27/69/50/203276950.db2.gz LXPSYKMCRJPCMG-BFHYXJOUSA-N 2 0 242.407 1.857 20 0 BDADRP Cc1ncc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000459735043 203348002 /nfs/dbraw/zinc/34/80/02/203348002.db2.gz PJOZRMXAQZCXPP-ZDUSSCGKSA-N 2 0 248.374 1.607 20 0 BDADRP CC[C@H](COC)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459779628 203365549 /nfs/dbraw/zinc/36/55/49/203365549.db2.gz LLLNEIVVSCZMHG-CHWSQXEVSA-N 2 0 228.380 1.733 20 0 BDADRP CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000459746819 203353594 /nfs/dbraw/zinc/35/35/94/203353594.db2.gz VJAKRBPJQGIHTK-UNJBNNCHSA-N 2 0 238.375 1.769 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)C1CC1 ZINC000165301860 203382207 /nfs/dbraw/zinc/38/22/07/203382207.db2.gz WOUCNFQMRLUAHA-LLVKDONJSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)C1CCOCC1 ZINC000158268456 326314107 /nfs/dbraw/zinc/31/41/07/326314107.db2.gz ZDFKSALIRNTBNL-OLZOCXBDSA-N 2 0 240.391 1.733 20 0 BDADRP CCn1nccc1CC[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000621774667 370521704 /nfs/dbraw/zinc/52/17/04/370521704.db2.gz ZWJULQJOVJFNLR-WCQYABFASA-N 2 0 236.363 1.115 20 0 BDADRP [NH3+][C@@]12CCC[C@@H]1CN(Cc1cccnc1)C2 ZINC000621782216 370530190 /nfs/dbraw/zinc/53/01/90/370530190.db2.gz NRJRKRSOHMCBES-CHWSQXEVSA-N 2 0 217.316 1.395 20 0 BDADRP [NH3+][C@@]12CCC[C@@H]1CN(CCOCC1CC1)C2 ZINC000621781580 370530672 /nfs/dbraw/zinc/53/06/72/370530672.db2.gz GPRYDWGVROXOEP-CHWSQXEVSA-N 2 0 224.348 1.226 20 0 BDADRP [NH3+][C@]12CCC[C@@H]1C[N@H+](CCC1CCC1)C2 ZINC000621783438 370533359 /nfs/dbraw/zinc/53/33/59/370533359.db2.gz BLBYCVNFZMQEIT-OLZOCXBDSA-N 2 0 208.349 1.990 20 0 BDADRP CC1(C)COC[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000313012536 370562141 /nfs/dbraw/zinc/56/21/41/370562141.db2.gz BDAIFBALGGYUHV-AXFHLTTASA-N 2 0 212.337 1.271 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000623824045 371108326 /nfs/dbraw/zinc/10/83/26/371108326.db2.gz VMGYQAGMNXPKJI-XDQVBPFNSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1CCCCO1 ZINC000624009086 371246516 /nfs/dbraw/zinc/24/65/16/371246516.db2.gz OKVMJCMEXYYXRK-MQYQWHSLSA-N 2 0 240.391 1.874 20 0 BDADRP CCC[C@H](C)[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC000624084880 371297435 /nfs/dbraw/zinc/29/74/35/371297435.db2.gz VHDWZIJTQXISLK-RYUDHWBXSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000230463908 371914967 /nfs/dbraw/zinc/91/49/67/371914967.db2.gz JAJJHFKDIIARNX-MBJXGIAVSA-N 2 0 238.375 1.242 20 0 BDADRP Cc1nccnc1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000631820459 372592955 /nfs/dbraw/zinc/59/29/55/372592955.db2.gz AONLGSMEGHPAII-JTQLQIEISA-N 2 0 234.347 1.344 20 0 BDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@H]1CCO[C@@H]1C ZINC000631822168 372598368 /nfs/dbraw/zinc/59/83/68/372598368.db2.gz UZFHFARMNHNHIY-JHJVBQTASA-N 2 0 228.380 1.717 20 0 BDADRP CCC[N@H+](C[C@H]1CCO[C@H]1C)C1CC[NH2+]CC1 ZINC000631822846 372600081 /nfs/dbraw/zinc/60/00/81/372600081.db2.gz QANSYYXTBHQSML-QWHCGFSZSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000631826399 372605796 /nfs/dbraw/zinc/60/57/96/372605796.db2.gz MMQQCWBYTCLTFW-XQQFMLRXSA-N 2 0 226.364 1.615 20 0 BDADRP CC1(C)CCCC[C@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000414863833 205775772 /nfs/dbraw/zinc/77/57/72/205775772.db2.gz JIGCZKHPYAIJDQ-CYBMUJFWSA-N 2 0 239.407 1.450 20 0 BDADRP CCC[NH2+]CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000414868775 205776708 /nfs/dbraw/zinc/77/67/08/205776708.db2.gz KMKCJXQZAWKUBL-MJBXVCDLSA-N 2 0 239.407 1.496 20 0 BDADRP C1=C(C[NH2+]CCC[NH2+]C2CC2)COCC1 ZINC000382587150 374252251 /nfs/dbraw/zinc/25/22/51/374252251.db2.gz UYJKDDPHFNAWMY-UHFFFAOYSA-N 2 0 210.321 1.065 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424378133 206039825 /nfs/dbraw/zinc/03/98/25/206039825.db2.gz SFCSOMCDABTUED-WUHRBBMRSA-N 2 0 208.349 1.892 20 0 BDADRP CO[C@@H](C)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424369346 206040301 /nfs/dbraw/zinc/04/03/01/206040301.db2.gz BLIXVLYXMKMZPY-LMLFDSFASA-N 2 0 200.326 1.269 20 0 BDADRP C[NH+](CC(O)C[N@@H+](C)CC1CC1)CC1CC1 ZINC000194423813 206089789 /nfs/dbraw/zinc/08/97/89/206089789.db2.gz RGHFVVDUUOMIML-UHFFFAOYSA-N 2 0 226.364 1.031 20 0 BDADRP CC[C@H](C)[NH+](C)CC(O)C[N@@H+](C)[C@@H](C)CC ZINC000194719598 206107108 /nfs/dbraw/zinc/10/71/08/206107108.db2.gz LYSTYURGFWEYID-RYUDHWBXSA-N 2 0 230.396 1.808 20 0 BDADRP C[NH+]1CCC(C[NH2+]CC[C@@H]2CCOC2)CC1 ZINC000220694651 134312268 /nfs/dbraw/zinc/31/22/68/134312268.db2.gz SZQMKARHWZQBGP-CYBMUJFWSA-N 2 0 226.364 1.344 20 0 BDADRP OCCCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363413931 183050645 /nfs/dbraw/zinc/05/06/45/183050645.db2.gz ITQXSVLRZJEIJO-MGPQQGTHSA-N 2 0 238.375 1.175 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000040503683 169008082 /nfs/dbraw/zinc/00/80/82/169008082.db2.gz MJCVXOHSJFQLFZ-NEPJUHHUSA-N 2 0 241.379 1.104 20 0 BDADRP OC[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000353509717 183139019 /nfs/dbraw/zinc/13/90/19/183139019.db2.gz LGPJJDNBJVIJSP-MELADBBJSA-N 2 0 238.375 1.221 20 0 BDADRP CCC[N@H+](C)CC(=O)Nc1ccc(C[NH3+])cc1 ZINC000037097931 169075778 /nfs/dbraw/zinc/07/57/78/169075778.db2.gz JVYVYUUJBCVXCX-UHFFFAOYSA-N 2 0 235.331 1.426 20 0 BDADRP CCC[N@H+](C)C[C@H]1CC[NH+](CC2(C)COC2)C1 ZINC000336678675 169079110 /nfs/dbraw/zinc/07/91/10/169079110.db2.gz BVCSIWYCAVJHQS-CYBMUJFWSA-N 2 0 240.391 1.687 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)N[C@@H]1C[NH+](C)C[C@H]1C ZINC000353073197 169127036 /nfs/dbraw/zinc/12/70/36/169127036.db2.gz ORMHYOQULKTYON-HZSPNIEDSA-N 2 0 241.423 1.647 20 0 BDADRP CCC[NH+]1CCC([N@H+](C)C[C@@H](O)CC)CC1 ZINC000304434877 169186292 /nfs/dbraw/zinc/18/62/92/169186292.db2.gz RMMHPTGNZUTGQT-ZDUSSCGKSA-N 2 0 228.380 1.564 20 0 BDADRP CCC[NH+]1CCC([N@H+](C)C[C@@H](O)C(C)C)CC1 ZINC000336721990 169187538 /nfs/dbraw/zinc/18/75/38/169187538.db2.gz XTUPBSKRJKGYOY-CQSZACIVSA-N 2 0 242.407 1.810 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC000038043758 169188070 /nfs/dbraw/zinc/18/80/70/169188070.db2.gz MCIKGKVPNRLTCW-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP CCC[NH+]1CCC([NH2+]CCCCOC)CC1 ZINC000044655224 169188334 /nfs/dbraw/zinc/18/83/34/169188334.db2.gz KEBVVEKWDBRDQW-UHFFFAOYSA-N 2 0 228.380 1.877 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H](CC)C(C)(C)O)CC1 ZINC000340503643 169189434 /nfs/dbraw/zinc/18/94/34/169189434.db2.gz OMBINPLCXFOEGI-CYBMUJFWSA-N 2 0 242.407 2.000 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H](C)CC(=O)OC)CC1 ZINC000049555405 169189759 /nfs/dbraw/zinc/18/97/59/169189759.db2.gz DMJVXYOYQKYRKS-LLVKDONJSA-N 2 0 242.363 1.402 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H](C)CCC[NH3+])CC1 ZINC000336652789 169190142 /nfs/dbraw/zinc/19/01/42/169190142.db2.gz JAOPWBFRRLYORV-LBPRGKRZSA-N 3 0 227.396 1.578 20 0 BDADRP c1ccc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nc1 ZINC000127699525 183395389 /nfs/dbraw/zinc/39/53/89/183395389.db2.gz NHUGJRHRYWUHQN-HUUCEWRRSA-N 2 0 245.370 1.841 20 0 BDADRP CCC[C@@H](C)[NH2+]C[C@H](C)N1CC[NH+](CC)CC1 ZINC000053487629 169370009 /nfs/dbraw/zinc/37/00/09/169370009.db2.gz MOEDYFUGTSGJRP-KGLIPLIRSA-N 2 0 241.423 1.791 20 0 BDADRP CCC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000295161718 169392233 /nfs/dbraw/zinc/39/22/33/169392233.db2.gz KPWSMJJGLSSDMT-CYBMUJFWSA-N 2 0 247.342 1.398 20 0 BDADRP CO[C@H](C)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000182192190 134342680 /nfs/dbraw/zinc/34/26/80/134342680.db2.gz UCXHGHSCVIZLOD-ZIAGYGMSSA-N 2 0 240.391 1.829 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000224436311 134347086 /nfs/dbraw/zinc/34/70/86/134347086.db2.gz XTNOGULTLXJWDX-UMSGYPCISA-N 2 0 228.380 1.872 20 0 BDADRP C([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCSC1 ZINC000224451291 134347577 /nfs/dbraw/zinc/34/75/77/134347577.db2.gz VBKYCHRLJVRKNW-RWMBFGLXSA-N 2 0 240.416 1.956 20 0 BDADRP CO[C@H](C[NH2+][C@@H](C)CC[NH+](C)C)CC(C)C ZINC000669572615 487528300 /nfs/dbraw/zinc/52/83/00/487528300.db2.gz VZRZALCWHVKFEW-STQMWFEESA-N 2 0 230.396 1.977 20 0 BDADRP C[C@H](CNC1CC[NH+](C)CC1)[N@H+](C)C1CC1 ZINC000226319538 134360444 /nfs/dbraw/zinc/36/04/44/134360444.db2.gz HNXLRVKTAVKTPV-LLVKDONJSA-N 2 0 225.380 1.153 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C[C@H]1CCCO1 ZINC000251271502 383881679 /nfs/dbraw/zinc/88/16/79/383881679.db2.gz XSGQKRSWJLWIOO-GRYCIOLGSA-N 2 0 212.337 1.286 20 0 BDADRP CCOCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000036908719 383920159 /nfs/dbraw/zinc/92/01/59/383920159.db2.gz BOMXMNITEGNHQL-QJPTWQEYSA-N 2 0 214.353 1.341 20 0 BDADRP CC(C)[C@H]([NH3+])C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000037042486 383932415 /nfs/dbraw/zinc/93/24/15/383932415.db2.gz VEXFKOCTRKNKJU-ZDUSSCGKSA-N 2 0 249.358 1.670 20 0 BDADRP C(C[C@H]1CC[NH2+]C1)c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000647148179 383893466 /nfs/dbraw/zinc/89/34/66/383893466.db2.gz IOEPVZSVXAPXCV-UWVGGRQHSA-N 2 0 236.319 1.036 20 0 BDADRP CC[C@H](O)CC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000224589684 383900918 /nfs/dbraw/zinc/90/09/18/383900918.db2.gz QXBIWPIMCXRVQO-SRVKXCTJSA-N 2 0 214.353 1.220 20 0 BDADRP C[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)c2ccccc2)C1 ZINC000113515493 383992803 /nfs/dbraw/zinc/99/28/03/383992803.db2.gz SWHRMLJCYZXOFU-HIFRSBDPSA-N 2 0 248.370 1.604 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000518515548 383973411 /nfs/dbraw/zinc/97/34/11/383973411.db2.gz BSVGLIXLEWNVFT-RJZJGCCBSA-N 3 0 239.407 1.719 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@H]1CO[C@@H](C)C1 ZINC000401801471 384035872 /nfs/dbraw/zinc/03/58/72/384035872.db2.gz UQHJIHZYRCAPKE-NWDGAFQWSA-N 2 0 214.353 1.485 20 0 BDADRP Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000643549177 384039418 /nfs/dbraw/zinc/03/94/18/384039418.db2.gz OXUOKQWMJIGKHA-XYJRDEOASA-N 2 0 248.374 1.757 20 0 BDADRP CCOC[C@H]1CCCC[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000313216728 384054795 /nfs/dbraw/zinc/05/47/95/384054795.db2.gz RSTMMMSNHRYIDJ-KGLIPLIRSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C2CCC([NH+](C)C)CC2)CO1 ZINC000647219012 384072906 /nfs/dbraw/zinc/07/29/06/384072906.db2.gz YYJFUJFOEFZWGC-IGJPJIBNSA-N 2 0 226.364 1.626 20 0 BDADRP Cc1noc(CCCN2CC[C@@H]([NH3+])C[C@@H]2C)n1 ZINC000517754722 384097435 /nfs/dbraw/zinc/09/74/35/384097435.db2.gz FNMYCAPWGRTPLC-GXSJLCMTSA-N 2 0 238.335 1.122 20 0 BDADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)CCC(C)(C)[NH3+] ZINC000648136540 384156639 /nfs/dbraw/zinc/15/66/39/384156639.db2.gz SYPKUNIVEPSLAH-CKYFFXLPSA-N 2 0 241.379 1.007 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](Cc2cccc(O)c2)C1 ZINC000050245390 384173848 /nfs/dbraw/zinc/17/38/48/384173848.db2.gz JAJJCGZDXDBWTN-LLVKDONJSA-N 2 0 206.289 1.173 20 0 BDADRP C[C@@H](CCCC[NH3+])NC(=O)CCC(C)(C)[NH3+] ZINC000648139725 384167714 /nfs/dbraw/zinc/16/77/14/384167714.db2.gz GBZMTIRVFYCMTR-JTQLQIEISA-N 2 0 229.368 1.138 20 0 BDADRP C[C@H](CCCC[NH3+])NC(=O)CCC(C)(C)[NH3+] ZINC000648139726 384167846 /nfs/dbraw/zinc/16/78/46/384167846.db2.gz GBZMTIRVFYCMTR-SNVBAGLBSA-N 2 0 229.368 1.138 20 0 BDADRP C[NH+]1CCC(C[NH2+]Cc2nccs2)CC1 ZINC000054243526 384202288 /nfs/dbraw/zinc/20/22/88/384202288.db2.gz VRXZVKAFLOXUDG-UHFFFAOYSA-N 2 0 225.361 1.575 20 0 BDADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCCC2(C)C)CC1 ZINC000336615659 384235646 /nfs/dbraw/zinc/23/56/46/384235646.db2.gz MYARYYCRAIKTLE-GFCCVEGCSA-N 2 0 240.391 1.611 20 0 BDADRP CCC[C@H](O)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000133561425 384253030 /nfs/dbraw/zinc/25/30/30/384253030.db2.gz VJLQTRDDUNBMOP-WOPDTQHZSA-N 2 0 214.353 1.220 20 0 BDADRP CC(C)C[C@H]([NH3+])c1noc([C@]2(F)CC[NH2+]C2)n1 ZINC000566216442 384256890 /nfs/dbraw/zinc/25/68/90/384256890.db2.gz WMCGFLWZWQDUOL-KWQFWETISA-N 2 0 242.298 1.274 20 0 BDADRP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC000156670087 384278416 /nfs/dbraw/zinc/27/84/16/384278416.db2.gz RTXLCOLRNJNDRO-OLZOCXBDSA-N 2 0 208.349 1.955 20 0 BDADRP C[C@H]1CC[C@H](C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)O1 ZINC000402943728 384281711 /nfs/dbraw/zinc/28/17/11/384281711.db2.gz NXRNJNKXZXYOLY-FQUUOJAGSA-N 2 0 238.375 1.615 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)COC)C1 ZINC000173914174 384285151 /nfs/dbraw/zinc/28/51/51/384285151.db2.gz QSLVCISOSCMGOI-NWDGAFQWSA-N 2 0 214.353 1.295 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+](CCC3(O)CCC3)C2)C1 ZINC000335473945 384289169 /nfs/dbraw/zinc/28/91/69/384289169.db2.gz FWAYGLLNKLFXNB-ZDUSSCGKSA-N 2 0 238.375 1.319 20 0 BDADRP C[C@@H]1C[C@@H](C)[N@H+](CCCF)C[C@H]1C[NH3+] ZINC000397327639 384303241 /nfs/dbraw/zinc/30/32/41/384303241.db2.gz VUABRRKBVBQKRR-GMTAPVOTSA-N 2 0 202.317 1.651 20 0 BDADRP Cc1ccnc(NCC(F)(F)CN)c1 ZINC000164929608 384335866 /nfs/dbraw/zinc/33/58/66/384335866.db2.gz FWCDYVVJHSCPOT-UHFFFAOYSA-N 2 0 201.220 1.396 20 0 BDADRP Cc1ccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cn1 ZINC000228858850 384345201 /nfs/dbraw/zinc/34/52/01/384345201.db2.gz ZHLRSKLQCTZZLG-GXTWGEPZSA-N 2 0 233.359 1.949 20 0 BDADRP COC[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000397244983 384417401 /nfs/dbraw/zinc/41/74/01/384417401.db2.gz NHDQZMPLZGMIJT-CMPLNLGQSA-N 2 0 212.337 1.001 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1NCc1nccs1 ZINC000084216411 384377871 /nfs/dbraw/zinc/37/78/71/384377871.db2.gz ROUSAOOXFRIRJD-NXEZZACHSA-N 2 0 225.361 1.750 20 0 BDADRP CCOCCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000084217917 384378040 /nfs/dbraw/zinc/37/80/40/384378040.db2.gz KOJDKZMTTXSZKC-WDEREUQCSA-N 2 0 200.326 1.130 20 0 BDADRP C[C@H](CO)[N@H+](C)Cc1ccc(-n2ccnc2)cc1 ZINC000135509284 384447472 /nfs/dbraw/zinc/44/74/72/384447472.db2.gz GFLAQITVLMZHGI-GFCCVEGCSA-N 2 0 245.326 1.685 20 0 BDADRP C[C@H]1CSC[C@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000335660321 384461203 /nfs/dbraw/zinc/46/12/03/384461203.db2.gz CRDMLIOEUPJRPY-CMPLNLGQSA-N 2 0 226.389 1.589 20 0 BDADRP CC[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@@H](C)O ZINC000449542732 384465423 /nfs/dbraw/zinc/46/54/23/384465423.db2.gz MZHPZWMZTIECKB-DGCLKSJQSA-N 2 0 242.407 1.998 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@@H]3CCSC3)C[C@@H]21 ZINC000224622932 384480591 /nfs/dbraw/zinc/48/05/91/384480591.db2.gz LFABFNHBEBXYNW-QNWHQSFQSA-N 2 0 240.416 1.799 20 0 BDADRP C[C@H](CNC1CC[NH+](C2CC2)CC1)[NH+](C)C ZINC000309205044 384483231 /nfs/dbraw/zinc/48/32/31/384483231.db2.gz CELCAXUDYGUFFM-LLVKDONJSA-N 2 0 225.380 1.153 20 0 BDADRP C[N@H+](CCOc1ccccc1)CCn1ccnc1 ZINC000122813177 384511574 /nfs/dbraw/zinc/51/15/74/384511574.db2.gz LFFXPUZELUEMPD-UHFFFAOYSA-N 2 0 245.326 1.894 20 0 BDADRP CO[C@H](C)CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400380163 533070411 /nfs/dbraw/zinc/07/04/11/533070411.db2.gz JWYBTGXTGLAWRA-MXWKQRLJSA-N 2 0 200.326 1.142 20 0 BDADRP COC1(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)CCCC1 ZINC000319853987 384514779 /nfs/dbraw/zinc/51/47/79/384514779.db2.gz LGMOUGNTDUVWLS-STQMWFEESA-N 2 0 240.391 1.862 20 0 BDADRP CCC[NH2+][C@@H](C)C(=O)Nc1ccccc1C[NH2+]C ZINC000449080171 384516779 /nfs/dbraw/zinc/51/67/79/384516779.db2.gz TWDADZPRLZIYFF-NSHDSACASA-N 2 0 249.358 1.733 20 0 BDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000647229352 384517780 /nfs/dbraw/zinc/51/77/80/384517780.db2.gz CWRSFROFYYEJSC-RISCZKNCSA-N 2 0 234.343 1.219 20 0 BDADRP C[C@@H](C[NH2+][C@@H](C)[C@H]1CCCOC1)N(C)C1CC1 ZINC000356871706 384518958 /nfs/dbraw/zinc/51/89/58/384518958.db2.gz OVIRGLUIAUBKJZ-AVGNSLFASA-N 2 0 240.391 1.874 20 0 BDADRP CC(C)C[NH+]1CCC([NH2+][C@H]2CO[C@H](C)C2)CC1 ZINC000402164507 384532603 /nfs/dbraw/zinc/53/26/03/384532603.db2.gz SATZZMRDRRCBPW-TZMCWYRMSA-N 2 0 240.391 1.874 20 0 BDADRP Cc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cn1 ZINC000162229119 384556567 /nfs/dbraw/zinc/55/65/67/384556567.db2.gz YSLFMRWTSKGHBS-ZDUSSCGKSA-N 2 0 219.332 1.622 20 0 BDADRP COCC[N@H+](CC[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000643057534 384562016 /nfs/dbraw/zinc/56/20/16/384562016.db2.gz OOLBDFIYRWBOJP-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+][C@@H](C)CC[NH+](C)C ZINC000309738876 384570024 /nfs/dbraw/zinc/57/00/24/384570024.db2.gz HEIMYJVRQFWIKJ-NWDGAFQWSA-N 2 0 224.352 1.201 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCCF)C1 ZINC000151431368 384573893 /nfs/dbraw/zinc/57/38/93/384573893.db2.gz NKQFPPZYPPPWKR-NSHDSACASA-N 2 0 202.317 1.620 20 0 BDADRP C(CN1CC[C@H]2CC[NH2+][C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000643066833 384579153 /nfs/dbraw/zinc/57/91/53/384579153.db2.gz UJPLQVQKTJPVOE-BFHYXJOUSA-N 2 0 237.391 1.060 20 0 BDADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1cnn(C)c1 ZINC000517937617 384581069 /nfs/dbraw/zinc/58/10/69/384581069.db2.gz ZSDFXTVZSLVDAI-LLVKDONJSA-N 2 0 244.342 1.730 20 0 BDADRP Cc1cccc(CC[NH2+][C@@H]2CCC[C@@H]2[NH3+])n1 ZINC000423086982 384564937 /nfs/dbraw/zinc/56/49/37/384564937.db2.gz OKMFHSXJCQGPCA-QWHCGFSZSA-N 2 0 219.332 1.402 20 0 BDADRP C[C@@H]1C[C@H](C[NH+]2CCC(C)([NH3+])CC2)CC[NH2+]1 ZINC000647531015 384622123 /nfs/dbraw/zinc/62/21/23/384622123.db2.gz WDAHRSOYJDOWSC-VXGBXAGGSA-N 3 0 225.380 1.188 20 0 BDADRP C[NH+](C)C1CC[NH+](CCC(C)(C)O)CC1 ZINC000086233996 384624181 /nfs/dbraw/zinc/62/41/81/384624181.db2.gz XQYLYIHMOZLUMP-UHFFFAOYSA-N 2 0 214.353 1.173 20 0 BDADRP CC1(C)CCC([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000334849633 384591600 /nfs/dbraw/zinc/59/16/00/384591600.db2.gz XVHLBZWBZVLTDC-GDNZZTSVSA-N 2 0 208.349 1.763 20 0 BDADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2cncn2C)C[C@H]1C[NH3+] ZINC000397414455 384600072 /nfs/dbraw/zinc/60/00/72/384600072.db2.gz XILXWYUNYQLAMY-IJLUTSLNSA-N 2 0 236.363 1.225 20 0 BDADRP C[NH+](C)[C@H]1CCCN(Cc2ccc(N)nc2)CC1 ZINC000647538417 384666580 /nfs/dbraw/zinc/66/65/80/384666580.db2.gz QODLXBGQEJPGSW-ZDUSSCGKSA-N 2 0 248.374 1.410 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000647534576 384646444 /nfs/dbraw/zinc/64/64/44/384646444.db2.gz QTDQJLLARJKGMS-RWMBFGLXSA-N 2 0 225.380 1.044 20 0 BDADRP COCCC[NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000086495097 384658476 /nfs/dbraw/zinc/65/84/76/384658476.db2.gz PIGAQTYFOWDENW-QWRGUYRKSA-N 2 0 200.326 1.143 20 0 BDADRP C[NH+](C)C[C@@](C)(O)C[NH2+]C1CCCCC1 ZINC000125896480 384718023 /nfs/dbraw/zinc/71/80/23/384718023.db2.gz UOCILVHPIQRBOC-LBPRGKRZSA-N 2 0 214.353 1.221 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](NCC2([NH3+])CCCCC2)C1 ZINC000647546543 384728987 /nfs/dbraw/zinc/72/89/87/384728987.db2.gz ORIZXKOBGIOGMC-NWDGAFQWSA-N 2 0 225.380 1.236 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000647546133 384731524 /nfs/dbraw/zinc/73/15/24/384731524.db2.gz AJXFWGBZDYAGCT-YUTCNCBUSA-N 2 0 239.407 1.482 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](NCC2([NH3+])CCCCCC2)C1 ZINC000647546676 384733499 /nfs/dbraw/zinc/73/34/99/384733499.db2.gz VNLDKVRHWQZOSB-QWHCGFSZSA-N 2 0 239.407 1.626 20 0 BDADRP C1[NH2+]C[C@H]2CC[C@@H]([NH2+][C@@H]3CCC[NH2+]CC3)C[C@@H]12 ZINC000647547077 384736547 /nfs/dbraw/zinc/73/65/47/384736547.db2.gz MPQZVKWPMLBTQB-XJFOESAGSA-N 3 0 237.391 1.106 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CNC[C@@H](C)C1 ZINC000647547179 384738054 /nfs/dbraw/zinc/73/80/54/384738054.db2.gz PZALJPALUJBDJS-QJPTWQEYSA-N 2 0 213.369 1.092 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](N[C@@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC000647548120 384750463 /nfs/dbraw/zinc/75/04/63/384750463.db2.gz VVLRCEOPROQVAS-YNEHKIRRSA-N 2 0 237.391 1.249 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647552138 384756452 /nfs/dbraw/zinc/75/64/52/384756452.db2.gz HSDGJLKUXYTGKC-IEECTRCBSA-N 3 0 225.380 1.090 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cnc2ccccn12 ZINC000647552484 384761612 /nfs/dbraw/zinc/76/16/12/384761612.db2.gz AYYKXYARLZRLIU-MNOVXSKESA-N 2 0 232.331 1.550 20 0 BDADRP C(COCC1CC1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300408720 384768775 /nfs/dbraw/zinc/76/87/75/384768775.db2.gz KNYASIFKNTYDDT-KGLIPLIRSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H]1CC[C@H](C)O1 ZINC000398153386 384821403 /nfs/dbraw/zinc/82/14/03/384821403.db2.gz HLZBKGIGKMPHQB-VWYCJHECSA-N 2 0 200.326 1.271 20 0 BDADRP CC[C@H](N[C@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC000423359145 384831335 /nfs/dbraw/zinc/83/13/35/384831335.db2.gz CREXLOVQRNIDSU-CYDGBPFRSA-N 2 0 225.380 1.377 20 0 BDADRP CC[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC000423359148 384833960 /nfs/dbraw/zinc/83/39/60/384833960.db2.gz CREXLOVQRNIDSU-VOAKCMCISA-N 2 0 225.380 1.377 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC2CC(O)C2)CC[N@@H+]1C ZINC000309789854 384833928 /nfs/dbraw/zinc/83/39/28/384833928.db2.gz OYMMAGZTPAKKHO-CQLXCSJHSA-N 2 0 226.364 1.220 20 0 BDADRP Cc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)nc1 ZINC000163417795 384884399 /nfs/dbraw/zinc/88/43/99/384884399.db2.gz MHWZGAXTMRKIOR-CHWSQXEVSA-N 2 0 233.359 1.807 20 0 BDADRP CC[C@@](C)(O)C[NH2+][C@H](C)CCCC[NH3+] ZINC000308638253 384885339 /nfs/dbraw/zinc/88/53/39/384885339.db2.gz BVKJBOJIQHXCLN-GHMZBOCLSA-N 2 0 202.342 1.255 20 0 BDADRP COCCC[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000423389235 384853807 /nfs/dbraw/zinc/85/38/07/384853807.db2.gz ODIAJXXWABMVJB-SDDRHHMPSA-N 2 0 214.353 1.661 20 0 BDADRP CC[C@H]([NH2+]CC1CC[NH+](CCO)CC1)C1CC1 ZINC000151874955 384856053 /nfs/dbraw/zinc/85/60/53/384856053.db2.gz HLZRTEOEQAFNRM-AWEZNQCLSA-N 2 0 240.391 1.469 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)CCC1CC1 ZINC000398225384 384858292 /nfs/dbraw/zinc/85/82/92/384858292.db2.gz PRMYCOPAENIHFA-DGCLKSJQSA-N 2 0 228.380 1.909 20 0 BDADRP Cn1cccc1C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000175013567 384858633 /nfs/dbraw/zinc/85/86/33/384858633.db2.gz CGLURJJKFRSILV-STQMWFEESA-N 2 0 235.375 1.988 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)C[NH2+]C2CC2)c1 ZINC000557171185 384861729 /nfs/dbraw/zinc/86/17/29/384861729.db2.gz BYWFJJDUXUCFJZ-UHFFFAOYSA-N 2 0 233.315 1.097 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCc1ccc(F)cc1 ZINC000259039889 384951435 /nfs/dbraw/zinc/95/14/35/384951435.db2.gz PEUFZFDJGKVHHZ-QWHCGFSZSA-N 2 0 222.307 1.838 20 0 BDADRP Cc1ccc(C[N@H+](C)C[C@@H](O)C[NH3+])c(C)c1 ZINC000259050718 384953450 /nfs/dbraw/zinc/95/34/50/384953450.db2.gz PUPYVVVJRYMBOD-ZDUSSCGKSA-N 2 0 222.332 1.055 20 0 BDADRP CCC[NH+](CCC)CCC[NH2+][C@@H](C)[C@H](C)O ZINC000644543968 384955508 /nfs/dbraw/zinc/95/55/08/384955508.db2.gz DSLJGZZMQDYFPS-STQMWFEESA-N 2 0 230.396 1.857 20 0 BDADRP C[C@H](C[NH2+][C@H](C)[C@@H](C)O)C[NH+]1CCCCC1 ZINC000564843559 384956942 /nfs/dbraw/zinc/95/69/42/384956942.db2.gz AOZYGAPPPHXJTD-JHJVBQTASA-N 2 0 228.380 1.467 20 0 BDADRP C[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C[NH+](C)C ZINC000310191860 384890727 /nfs/dbraw/zinc/89/07/27/384890727.db2.gz YWWIRAVTNKDCHL-HZSPNIEDSA-N 2 0 239.407 1.401 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C2CCSCC2)C1 ZINC000220682604 384891503 /nfs/dbraw/zinc/89/15/03/384891503.db2.gz JARMPRHJBYAWJR-GXSJLCMTSA-N 2 0 214.378 1.742 20 0 BDADRP CC(C)C[C@@H]([NH3+])c1noc(CC(C)(C)[NH3+])n1 ZINC000647129973 384905598 /nfs/dbraw/zinc/90/55/98/384905598.db2.gz RNJGZNSTSFYALV-MRVPVSSYSA-N 2 0 226.324 1.395 20 0 BDADRP CCOCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127811635 384916417 /nfs/dbraw/zinc/91/64/17/384916417.db2.gz ZWYLMAQYPNRQTA-VXGBXAGGSA-N 2 0 212.337 1.239 20 0 BDADRP [NH3+]CCCN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000257746025 384924298 /nfs/dbraw/zinc/92/42/98/384924298.db2.gz FGFIPWBKSCUNJE-ZDUSSCGKSA-N 2 0 225.380 1.286 20 0 BDADRP [NH3+]CCCN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000257738975 384925649 /nfs/dbraw/zinc/92/56/49/384925649.db2.gz AABVSCCYRSYLIX-ZDUSSCGKSA-N 2 0 225.380 1.286 20 0 BDADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccccc1 ZINC000258653996 384935090 /nfs/dbraw/zinc/93/50/90/384935090.db2.gz MXNCAXOHCGTNIC-CQSZACIVSA-N 2 0 247.386 1.633 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000309307476 384938825 /nfs/dbraw/zinc/93/88/25/384938825.db2.gz DNNFFPBILZJLPG-UPJWGTAASA-N 2 0 228.380 1.645 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCc1ccc(F)c(F)c1 ZINC000258751816 384939706 /nfs/dbraw/zinc/93/97/06/384939706.db2.gz ADFNZPNAWBIPRR-CHWSQXEVSA-N 2 0 240.297 1.977 20 0 BDADRP CC[NH+](CC)CCNC1CC[NH+](C2CC2)CC1 ZINC000310287913 384945521 /nfs/dbraw/zinc/94/55/21/384945521.db2.gz QYBJDAJWFNUGNR-UHFFFAOYSA-N 2 0 239.407 1.545 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C)[C@@H](C)C2)CO1 ZINC000401870427 384996337 /nfs/dbraw/zinc/99/63/37/384996337.db2.gz BOJCYLBFUMJNOH-USZNOCQGSA-N 2 0 212.337 1.236 20 0 BDADRP Cc1cc(C[NH2+]CCCC[NH+](C)C)sn1 ZINC000404471901 385017391 /nfs/dbraw/zinc/01/73/91/385017391.db2.gz RIOUBIXJJYQNMU-UHFFFAOYSA-N 2 0 227.377 1.883 20 0 BDADRP Cc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)cn1 ZINC000404757439 385051117 /nfs/dbraw/zinc/05/11/17/385051117.db2.gz AIVHMHXHSBFHAY-NWDGAFQWSA-N 2 0 219.332 1.605 20 0 BDADRP CC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)OC ZINC000310419285 385051250 /nfs/dbraw/zinc/05/12/50/385051250.db2.gz NXGFSTFYWAASPE-YIYPIFLZSA-N 2 0 240.391 1.922 20 0 BDADRP Cc1cnccc1C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000404795526 385074205 /nfs/dbraw/zinc/07/42/05/385074205.db2.gz SRQOTAVRTJZVKN-NWDGAFQWSA-N 2 0 219.332 1.605 20 0 BDADRP Cc1ccc(C[NH2+][C@@H](C)CCC[NH3+])cn1 ZINC000308791442 385108380 /nfs/dbraw/zinc/10/83/80/385108380.db2.gz BDLZDMSAOQMKED-JTQLQIEISA-N 2 0 207.321 1.607 20 0 BDADRP C[N@H+](CCCCO)CC[C@H]1CCCC[NH+]1C ZINC000304313253 385122820 /nfs/dbraw/zinc/12/28/20/385122820.db2.gz NBUVFOPEKJWTRN-CYBMUJFWSA-N 2 0 228.380 1.565 20 0 BDADRP C[N@H+](CCOC[C@H]1CCCO1)CC(C)(C)C[NH3+] ZINC000566246067 385130112 /nfs/dbraw/zinc/13/01/12/385130112.db2.gz DIUBPJPHZONGGM-GFCCVEGCSA-N 2 0 244.379 1.099 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000404844533 385103822 /nfs/dbraw/zinc/10/38/22/385103822.db2.gz OJDMYHCZZKTFAQ-HBNTYKKESA-N 2 0 212.337 1.271 20 0 BDADRP CC[NH2+]CCCN[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000518753913 385106944 /nfs/dbraw/zinc/10/69/44/385106944.db2.gz WUYHYCBTCWGOLK-CHWSQXEVSA-N 2 0 227.396 1.306 20 0 BDADRP CC(C)[C@@H]([NH3+])CCN(C)CC(C)(C)[NH3+] ZINC000308812998 385182309 /nfs/dbraw/zinc/18/23/09/385182309.db2.gz DCLYLKHEABXCMA-JTQLQIEISA-N 2 0 201.358 1.029 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC(C)(C)CCO)CC[N@@H+]1C ZINC000178161830 385194820 /nfs/dbraw/zinc/19/48/20/385194820.db2.gz DAJXDVBFFRSIQM-VXGBXAGGSA-N 2 0 228.380 1.467 20 0 BDADRP CC1(C)COC[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000313015049 385151947 /nfs/dbraw/zinc/15/19/47/385151947.db2.gz XIERRFYCDIXSRX-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP Fc1ccc2c(c1)[C@@H]([N@H+]1C[C@H]3C[NH2+]C[C@H]3C1)CC2 ZINC000359294113 385177078 /nfs/dbraw/zinc/17/70/78/385177078.db2.gz AYQVJTREQUWISS-ZOWXZIJZSA-N 2 0 246.329 1.964 20 0 BDADRP C[C@H](O)CCC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000308813285 385180811 /nfs/dbraw/zinc/18/08/11/385180811.db2.gz AIOOFLIMYWNIEI-WOPDTQHZSA-N 2 0 214.353 1.077 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCCO1 ZINC000252711422 385208154 /nfs/dbraw/zinc/20/81/54/385208154.db2.gz JLDSDNGIJQPGTL-UTUOFQBUSA-N 2 0 212.337 1.095 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)C[C@@H]2CCC[NH2+]2)cc1 ZINC000178249702 385217170 /nfs/dbraw/zinc/21/71/70/385217170.db2.gz CENFDGNPZIUPOH-GWCFXTLKSA-N 2 0 247.342 1.787 20 0 BDADRP COCCCC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252714392 385221245 /nfs/dbraw/zinc/22/12/45/385221245.db2.gz RVWATYPRWVQBFE-VXGBXAGGSA-N 2 0 214.353 1.343 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCCCO1 ZINC000308869923 385224852 /nfs/dbraw/zinc/22/48/52/385224852.db2.gz RYNRIPLAKGFPST-NEPJUHHUSA-N 2 0 214.353 1.663 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CC[C@@H]1CCCCO1 ZINC000308871903 385228496 /nfs/dbraw/zinc/22/84/96/385228496.db2.gz SOILTJPUGDLHAM-RYUDHWBXSA-N 2 0 214.353 1.663 20 0 BDADRP Cc1cccnc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000157674553 385244580 /nfs/dbraw/zinc/24/45/80/385244580.db2.gz SXHVTILYCFYNAG-GFCCVEGCSA-N 2 0 219.332 1.561 20 0 BDADRP C[N@@H+](Cc1ccncc1)CC1CC[NH+](C)CC1 ZINC000130442760 385250009 /nfs/dbraw/zinc/25/00/09/385250009.db2.gz GIICJMPABYCDIE-UHFFFAOYSA-N 2 0 233.359 1.855 20 0 BDADRP CC(C)(C)[NH2+]CCN(C1CC1)C1CC[NH2+]CC1 ZINC000647482536 385204741 /nfs/dbraw/zinc/20/47/41/385204741.db2.gz NBGXGLGEVKWZRD-UHFFFAOYSA-N 2 0 239.407 1.591 20 0 BDADRP OCCCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157902796 385304014 /nfs/dbraw/zinc/30/40/14/385304014.db2.gz QXHPLKBNBOBDOP-CHWSQXEVSA-N 2 0 226.364 1.365 20 0 BDADRP CO[C@H](C)CC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000308962107 385314240 /nfs/dbraw/zinc/31/42/40/385314240.db2.gz ZZQAFPWNJXECMF-IJLUTSLNSA-N 2 0 214.353 1.519 20 0 BDADRP c1cc(N[C@@H]2CC[NH2+]C2)nc(C2CC2)n1 ZINC000107195147 385315103 /nfs/dbraw/zinc/31/51/03/385315103.db2.gz RKOZSZRFHWHSAW-SECBINFHSA-N 2 0 204.277 1.128 20 0 BDADRP Cc1ccc(NC(=O)CC[NH3+])c(C[NH+](C)C)c1 ZINC000237036549 385259299 /nfs/dbraw/zinc/25/92/99/385259299.db2.gz PKSQEBOCPRZXAF-UHFFFAOYSA-N 2 0 235.331 1.344 20 0 BDADRP c1c[nH]c(C[NH2+]CCCNc2ccccn2)n1 ZINC000177589039 385263102 /nfs/dbraw/zinc/26/31/02/385263102.db2.gz XASAINABHSZFBD-UHFFFAOYSA-N 2 0 231.303 1.397 20 0 BDADRP CO[C@H](C[NH2+]CC1(N(C)C)CC1)C1CC1 ZINC000400126937 385292391 /nfs/dbraw/zinc/29/23/91/385292391.db2.gz OQXOVBFJTTXGIU-LLVKDONJSA-N 2 0 212.337 1.095 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)[C@H]1C ZINC000308988986 385333711 /nfs/dbraw/zinc/33/37/11/385333711.db2.gz NASAMZQSYIJDQR-NTZNESFSSA-N 2 0 210.365 1.962 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@@H]1CCc2ccccc21 ZINC000308992679 385336489 /nfs/dbraw/zinc/33/64/89/385336489.db2.gz OIIAHWAVYQHIOH-GXFFZTMASA-N 2 0 204.317 1.858 20 0 BDADRP C[N@@H+](Cc1ccccn1)CC1CC[NH+](C)CC1 ZINC000154818855 385357037 /nfs/dbraw/zinc/35/70/37/385357037.db2.gz YEJGPKXUYDHWLF-UHFFFAOYSA-N 2 0 233.359 1.855 20 0 BDADRP Cc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)nc1 ZINC000311198704 385361303 /nfs/dbraw/zinc/36/13/03/385361303.db2.gz GSJCZYSOFHCGSK-OKILXGFUSA-N 2 0 245.370 1.821 20 0 BDADRP CC(C)=CC[NH2+]C[C@H]1CN2CCCC[C@H]2CO1 ZINC000364333485 385361314 /nfs/dbraw/zinc/36/13/14/385361314.db2.gz UTHFUFBDMDLRMG-KBPBESRZSA-N 2 0 238.375 1.796 20 0 BDADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCC1(C)C ZINC000309031645 385379749 /nfs/dbraw/zinc/37/97/49/385379749.db2.gz CAGJLSLXWLYBCD-LLVKDONJSA-N 2 0 214.353 1.343 20 0 BDADRP CC1(C)CC[C@@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000309049034 385382185 /nfs/dbraw/zinc/38/21/85/385382185.db2.gz OJUDJIYLGMIULN-JTQLQIEISA-N 2 0 212.337 1.273 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C(=O)N(C)CCC[NH3+])cc1 ZINC000644067084 385416424 /nfs/dbraw/zinc/41/64/24/385416424.db2.gz BIBISMVNXGLERA-SNVBAGLBSA-N 2 0 235.331 1.127 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)O1 ZINC000405287715 385449853 /nfs/dbraw/zinc/44/98/53/385449853.db2.gz HIORGWXNWOFIDT-GWOFURMSSA-N 2 0 212.337 1.269 20 0 BDADRP CC(C)(C[NH3+])C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000644086589 385437193 /nfs/dbraw/zinc/43/71/93/385437193.db2.gz CVJMVNVAGUZXSU-UHFFFAOYSA-N 2 0 247.342 1.256 20 0 BDADRP C([C@@H]1CCCCO1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257745232 385496399 /nfs/dbraw/zinc/49/63/99/385496399.db2.gz ZOBYPZWTSWLLOR-UONOGXRCSA-N 2 0 238.375 1.631 20 0 BDADRP CC(C)(C[NH3+])C(=O)Nc1ccc(C[NH3+])cc1 ZINC000644116222 385496511 /nfs/dbraw/zinc/49/65/11/385496511.db2.gz VVSWEEYNWJZFQJ-UHFFFAOYSA-N 2 0 221.304 1.069 20 0 BDADRP C[C@H]([NH2+]CCCC[NH+](C)C)[C@@H]1CCCOC1 ZINC000309358234 385549120 /nfs/dbraw/zinc/54/91/20/385549120.db2.gz ACDOXJXEPFREGQ-QWHCGFSZSA-N 2 0 228.380 1.733 20 0 BDADRP Nc1ncnc(N[C@H]2CCC[C@H]([NH3+])C2)c1Cl ZINC000643030303 385525724 /nfs/dbraw/zinc/52/57/24/385525724.db2.gz LNOMBYXNIJNNTA-BQBZGAKWSA-N 2 0 241.726 1.394 20 0 BDADRP CC[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000159056501 385526676 /nfs/dbraw/zinc/52/66/76/385526676.db2.gz WKXYHMTWPWFCEF-FIQHERPVSA-N 2 0 214.353 1.076 20 0 BDADRP Cc1c[nH+]ccc1N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643031160 385527123 /nfs/dbraw/zinc/52/71/23/385527123.db2.gz ITGBAMRMHYSEBN-NEPJUHHUSA-N 2 0 217.316 1.578 20 0 BDADRP CO[C@@H]1C[C@@H]([NH2+][C@H](C)CCCC[NH3+])C1(C)C ZINC000309378306 385558141 /nfs/dbraw/zinc/55/81/41/385558141.db2.gz QOWZSHGHFWLKBY-IJLUTSLNSA-N 2 0 228.380 1.907 20 0 BDADRP Cc1cc(N2CC[NH+]([C@@H]3CCOC3)CC2)cc[nH+]1 ZINC000372342960 385564398 /nfs/dbraw/zinc/56/43/98/385564398.db2.gz AUBTWKBPTYKYFY-CQSZACIVSA-N 2 0 247.342 1.301 20 0 BDADRP c1ccc(OCCC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000107579263 385570636 /nfs/dbraw/zinc/57/06/36/385570636.db2.gz VDYTZMJYOIMZFY-ZIAGYGMSSA-N 2 0 246.354 1.607 20 0 BDADRP Cc1ccncc1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000309437634 385581334 /nfs/dbraw/zinc/58/13/34/385581334.db2.gz YSDKQWNYAJSWNW-LBPRGKRZSA-N 2 0 221.348 1.997 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1[C@@H](C)[C@@H](OC)C12CCC2 ZINC000414849237 385626485 /nfs/dbraw/zinc/62/64/85/385626485.db2.gz XUFOTTJCUFPJII-UMSGYPCISA-N 2 0 240.391 1.635 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000414849731 385629999 /nfs/dbraw/zinc/62/99/99/385629999.db2.gz YKXYKUHZWOJUTL-SNVBAGLBSA-N 2 0 232.331 1.508 20 0 BDADRP C[NH+](C)C1CC[NH+](C[C@H]2CCSC2)CC1 ZINC000334707686 385609934 /nfs/dbraw/zinc/60/99/34/385609934.db2.gz GVOXQLYFFPKJTG-LLVKDONJSA-N 2 0 228.405 1.766 20 0 BDADRP CC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000336724093 385611721 /nfs/dbraw/zinc/61/17/21/385611721.db2.gz BAIVNXGAASJQIW-RVMXOQNASA-N 2 0 226.364 1.220 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](O)CC(C)(C)C ZINC000336681979 385638812 /nfs/dbraw/zinc/63/88/12/385638812.db2.gz YIYHNGGKZSJSOL-NWDGAFQWSA-N 2 0 230.396 1.891 20 0 BDADRP Cc1ncccc1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414850757 385641138 /nfs/dbraw/zinc/64/11/38/385641138.db2.gz IIPCWOHIMIEARL-STQMWFEESA-N 2 0 233.359 1.868 20 0 BDADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCC2(C)C)CC1 ZINC000309588967 385717205 /nfs/dbraw/zinc/71/72/05/385717205.db2.gz UACMRELOSALTCO-LLVKDONJSA-N 2 0 226.364 1.221 20 0 BDADRP CC(C)CCOCCN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000336685318 385686603 /nfs/dbraw/zinc/68/66/03/385686603.db2.gz FWBFWOSNBREINX-KGLIPLIRSA-N 2 0 240.391 1.733 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000221764422 385700437 /nfs/dbraw/zinc/70/04/37/385700437.db2.gz XHVBYHSOUQQFBS-BFHYXJOUSA-N 2 0 239.407 1.543 20 0 BDADRP CC(C)[C@@](C)(O)C[NH2+][C@@H](C)CCC[NH3+] ZINC000336687130 385702969 /nfs/dbraw/zinc/70/29/69/385702969.db2.gz MIFFRIRJQHNLDM-QWRGUYRKSA-N 2 0 202.342 1.110 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCCO1 ZINC000336687727 385706004 /nfs/dbraw/zinc/70/60/04/385706004.db2.gz GRXXTLVGJNRQSZ-OBJOEFQTSA-N 2 0 238.375 1.628 20 0 BDADRP CCCC[C@H](COC)[NH2+]CCC[NH2+]C ZINC000414859419 385740634 /nfs/dbraw/zinc/74/06/34/385740634.db2.gz MVOQQRUEQMFMNQ-LLVKDONJSA-N 2 0 202.342 1.391 20 0 BDADRP C[C@H](CCO)[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000228397832 385747764 /nfs/dbraw/zinc/74/77/64/385747764.db2.gz NZUMGIFRDMEFRV-WHOHXGKFSA-N 2 0 214.353 1.076 20 0 BDADRP C(CN1CCC[C@H]2OCC[C@H]21)C[NH+]1CCCC1 ZINC000369867935 385751939 /nfs/dbraw/zinc/75/19/39/385751939.db2.gz NBGNMUVCOWBHBB-ZIAGYGMSSA-N 2 0 238.375 1.726 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+]CCC[NH2+]C)CCO1 ZINC000414861652 385753144 /nfs/dbraw/zinc/75/31/44/385753144.db2.gz SPXBEOQWERFWER-VXGBXAGGSA-N 2 0 214.353 1.391 20 0 BDADRP C[NH2+]CCC[NH2+][C@H](C)Cc1cccc(OC)n1 ZINC000414863128 385755174 /nfs/dbraw/zinc/75/51/74/385755174.db2.gz WULXXQVUJKDKMQ-LLVKDONJSA-N 2 0 237.347 1.220 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@H](CO)C(C)(C)C ZINC000309637362 385760736 /nfs/dbraw/zinc/76/07/36/385760736.db2.gz JUUNPFCONJOMGN-GFCCVEGCSA-N 2 0 230.396 1.715 20 0 BDADRP CC(C)N(C)CC[NH2+][C@H](C)CCC[NH3+] ZINC000336702433 385769400 /nfs/dbraw/zinc/76/94/00/385769400.db2.gz ZBXVLGFHZXCNMB-LLVKDONJSA-N 2 0 201.358 1.044 20 0 BDADRP COC[C@@H]([NH2+]CCC[NH+](C)C)C1CCCC1 ZINC000309651397 385770443 /nfs/dbraw/zinc/77/04/43/385770443.db2.gz OEAHIZTZPIKJIF-CYBMUJFWSA-N 2 0 228.380 1.733 20 0 BDADRP CC(C)[C@H]1CCC[C@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000414866050 385778097 /nfs/dbraw/zinc/77/80/97/385778097.db2.gz DSKIDXDCOGSXOB-ZIAGYGMSSA-N 2 0 239.407 1.306 20 0 BDADRP CC(C)CCC[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000309669639 385784371 /nfs/dbraw/zinc/78/43/71/385784371.db2.gz JHFPWOMWDVYVMY-UHFFFAOYSA-N 2 0 228.380 1.469 20 0 BDADRP C1=C(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC[NH2+]C1 ZINC000647799751 385803003 /nfs/dbraw/zinc/80/30/03/385803003.db2.gz PZLFHLPMSAQIPF-RRFJBIMHSA-N 3 0 249.402 1.274 20 0 BDADRP C[C@@H](C[NH3+])NCc1cnc(-c2ccccn2)s1 ZINC000414947630 385803220 /nfs/dbraw/zinc/80/32/20/385803220.db2.gz VJQIOWZIYVXNDZ-VIFPVBQESA-N 2 0 248.355 1.642 20 0 BDADRP C[C@H](CC1CCOCC1)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414948160 385808116 /nfs/dbraw/zinc/80/81/16/385808116.db2.gz XUMPLQKEQJNHIP-SCRDCRAPSA-N 2 0 240.391 1.779 20 0 BDADRP CCC[C@H](C)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000336714240 385809603 /nfs/dbraw/zinc/80/96/03/385809603.db2.gz WAFNYOAZQIGPJA-RWMBFGLXSA-N 2 0 210.365 1.964 20 0 BDADRP CC(C)[C@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000414950896 385820322 /nfs/dbraw/zinc/82/03/22/385820322.db2.gz PEARLJAUWGVNME-AAVRWANBSA-N 2 0 240.391 1.920 20 0 BDADRP CCC[NH2+]CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000414868767 385831720 /nfs/dbraw/zinc/83/17/20/385831720.db2.gz KMKCJXQZAWKUBL-BFHYXJOUSA-N 2 0 239.407 1.496 20 0 BDADRP COc1cccc(C[C@@H](C)N[C@H]2CCC[NH2+]C2)n1 ZINC000414871496 385858033 /nfs/dbraw/zinc/85/80/33/385858033.db2.gz UXYCCCGBKBDYFG-YPMHNXCESA-N 2 0 249.358 1.363 20 0 BDADRP C[C@@H]1C[C@@H](NC2CC[NH+](C)CC2)C[N@@H+]1C1CC1 ZINC000128576480 385835377 /nfs/dbraw/zinc/83/53/77/385835377.db2.gz YPVXAYLRRFTJQM-DGCLKSJQSA-N 2 0 237.391 1.295 20 0 BDADRP C[C@H]1C[C@H](NC2CC[NH+](C)CC2)C[N@@H+]1C1CC1 ZINC000128576260 385835433 /nfs/dbraw/zinc/83/54/33/385835433.db2.gz YPVXAYLRRFTJQM-AAEUAGOBSA-N 2 0 237.391 1.295 20 0 BDADRP C[C@H]([NH2+][C@H]1CCS[C@H]1C)C1C[NH2+]C1 ZINC000647804171 385840509 /nfs/dbraw/zinc/84/05/09/385840509.db2.gz KQJFBEXCNDLTOJ-NRPADANISA-N 2 0 200.351 1.078 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CO1 ZINC000647804190 385841342 /nfs/dbraw/zinc/84/13/42/385841342.db2.gz LEFYQNFLCGFIBB-ARHMULMVSA-N 2 0 210.321 1.036 20 0 BDADRP C[C@H]([NH2+]CCN1CCCC1)[C@@H]1CCCOC1 ZINC000336741048 385846456 /nfs/dbraw/zinc/84/64/56/385846456.db2.gz MVSOUPPOKBNYCR-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP COC[C@]1(CNCc2cnccc2C)CCC[NH2+]1 ZINC000414956455 385846547 /nfs/dbraw/zinc/84/65/47/385846547.db2.gz OQZBPYKVHRJISE-CQSZACIVSA-N 2 0 249.358 1.248 20 0 BDADRP CC(C)[NH2+]CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647799194 385796211 /nfs/dbraw/zinc/79/62/11/385796211.db2.gz AIZDIJSYFWTCNP-BFHYXJOUSA-N 3 0 239.407 1.352 20 0 BDADRP CC[NH2+]Cc1cccc(NC2CC[NH2+]CC2)c1 ZINC000414867331 385796993 /nfs/dbraw/zinc/79/69/93/385796993.db2.gz NFZGJEJKZWYQEL-UHFFFAOYSA-N 2 0 233.359 1.960 20 0 BDADRP CC[N@H+](C)CCNC(=O)[C@@H]([NH3+])c1ccccc1C ZINC000294716509 385886818 /nfs/dbraw/zinc/88/68/18/385886818.db2.gz BPEMOOBHVMMZNZ-ZDUSSCGKSA-N 2 0 249.358 1.063 20 0 BDADRP c1cc(C[NH2+]CCC[C@H]2CCC[NH2+]2)ccn1 ZINC000414965372 385904113 /nfs/dbraw/zinc/90/41/13/385904113.db2.gz FQQXUWIQMBEBGK-ZDUSSCGKSA-N 2 0 219.332 1.703 20 0 BDADRP COCC[C@H](NCc1cncn1C)c1ccco1 ZINC000272515588 385908400 /nfs/dbraw/zinc/90/84/00/385908400.db2.gz IEWUSWCJAFHTKH-LBPRGKRZSA-N 2 0 249.314 1.881 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](C[C@H]2CCCOC2)C1 ZINC000250981859 385929655 /nfs/dbraw/zinc/92/96/55/385929655.db2.gz BKWLRIQURNHCRH-QWHCGFSZSA-N 2 0 226.364 1.474 20 0 BDADRP CC(C)C[C@](C)(C[NH3+])NC(=O)CCC(C)(C)[NH3+] ZINC000647824962 385867197 /nfs/dbraw/zinc/86/71/97/385867197.db2.gz JGUHRIANFSDOMB-CYBMUJFWSA-N 2 0 243.395 1.384 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414959431 385867382 /nfs/dbraw/zinc/86/73/82/385867382.db2.gz FJVOKEVLUKCUDZ-OLZOCXBDSA-N 2 0 236.363 1.393 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CCC(C)(C)[NH3+])C1 ZINC000647818360 385870494 /nfs/dbraw/zinc/87/04/94/385870494.db2.gz PVXIAIUCKHMVLY-WDEREUQCSA-N 2 0 241.379 1.090 20 0 BDADRP CC[C@H](COC)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414972012 385978205 /nfs/dbraw/zinc/97/82/05/385978205.db2.gz XEXCSDQTXSVTKE-VXGBXAGGSA-N 2 0 214.353 1.533 20 0 BDADRP C[C@H]([NH3+])c1ccc(C(=O)N2CC[NH2+]C[C@@H]2C)cc1 ZINC000335020737 385980124 /nfs/dbraw/zinc/98/01/24/385980124.db2.gz PGXYVPTULUEKIJ-QWRGUYRKSA-N 2 0 247.342 1.140 20 0 BDADRP C[C@H]1CC[NH2+]C[C@H]1NC1CC[NH+](C2CC2)CC1 ZINC000335022376 385982986 /nfs/dbraw/zinc/98/29/86/385982986.db2.gz DHQVVKHQHURMHJ-SMDDNHRTSA-N 2 0 237.391 1.201 20 0 BDADRP C([NH2+]C1CC[NH2+]CC1)C12CCC(CC1)C2 ZINC000335023391 385985630 /nfs/dbraw/zinc/98/56/30/385985630.db2.gz HNOMFMHTUNHCAA-UHFFFAOYSA-N 2 0 208.349 1.908 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccnc1 ZINC000335039028 385931435 /nfs/dbraw/zinc/93/14/35/385931435.db2.gz KYGBZWYRAXWJQQ-WCQYABFASA-N 2 0 219.332 1.559 20 0 BDADRP [NH3+]CC[C@H]1CCC[N@H+](CC[C@H]2CCCO2)C1 ZINC000251092249 385935390 /nfs/dbraw/zinc/93/53/90/385935390.db2.gz INDFFHNGVQBPEB-CHWSQXEVSA-N 2 0 226.364 1.616 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1C[C@H](O)C[C@H]1C ZINC000338280934 385945459 /nfs/dbraw/zinc/94/54/59/385945459.db2.gz VTSTWVJYMJJQLI-VXGBXAGGSA-N 2 0 214.353 1.173 20 0 BDADRP CCc1nn(C)c(CC)c1C[NH2+][C@H](C)CC[NH3+] ZINC000414879156 385946732 /nfs/dbraw/zinc/94/67/32/385946732.db2.gz IBRFPYQOCRQXIC-SNVBAGLBSA-N 2 0 238.379 1.372 20 0 BDADRP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)[C@H]1C[C@H]1C ZINC000414077924 385949402 /nfs/dbraw/zinc/94/94/02/385949402.db2.gz RNTWHPJMIYYEMC-LPWJVIDDSA-N 2 0 226.364 1.077 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000338304878 385953786 /nfs/dbraw/zinc/95/37/86/385953786.db2.gz PWNPPOMHRFFMGI-MJBXVCDLSA-N 2 0 240.391 1.421 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccc(C[NH3+])cc1 ZINC000638568239 385956542 /nfs/dbraw/zinc/95/65/42/385956542.db2.gz YIAMEUDJJSWPLO-QWHCGFSZSA-N 2 0 247.342 1.016 20 0 BDADRP C[C@H]([NH3+])CCC(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000335059885 385961578 /nfs/dbraw/zinc/96/15/78/385961578.db2.gz FZFAOMYVHNQYEG-CMPLNLGQSA-N 2 0 247.342 1.030 20 0 BDADRP [NH3+]CCCN(Cc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000647942754 385964840 /nfs/dbraw/zinc/96/48/40/385964840.db2.gz QZIZVLQUYSXKKQ-HNNXBMFYSA-N 2 0 247.386 1.447 20 0 BDADRP CC[NH+](CC)CCCN1CC[N@H+](C)C[C@H]1C ZINC000338317188 385967801 /nfs/dbraw/zinc/96/78/01/385967801.db2.gz MRCYLYGMPJATBH-CYBMUJFWSA-N 2 0 227.396 1.354 20 0 BDADRP C[NH2+]Cc1ccc(NCC(C)(C)[NH3+])cc1 ZINC000414971164 385969461 /nfs/dbraw/zinc/96/94/61/385969461.db2.gz HRHORMGXPLREQB-UHFFFAOYSA-N 2 0 207.321 1.555 20 0 BDADRP Cc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cn1 ZINC000335014103 385971205 /nfs/dbraw/zinc/97/12/05/385971205.db2.gz WZYIQRICVIQDBD-RISCZKNCSA-N 2 0 233.359 1.868 20 0 BDADRP C[C@@H]1C[N@H+](CCC[NH+]2CCCCC2)CC[C@@H]1O ZINC000189244752 385974428 /nfs/dbraw/zinc/97/44/28/385974428.db2.gz BNUSZNCXPSGADQ-KGLIPLIRSA-N 2 0 240.391 1.565 20 0 BDADRP Cc1noc(C)c1CN1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000335066249 386004277 /nfs/dbraw/zinc/00/42/77/386004277.db2.gz RPLUMYXPENLEAX-TZMCWYRMSA-N 2 0 249.358 1.817 20 0 BDADRP COC1(C[NH2+][C@H]2CCC[NH2+]CC2)CCCC1 ZINC000309479940 386012595 /nfs/dbraw/zinc/01/25/95/386012595.db2.gz DEHQTRSFMUJJAQ-LBPRGKRZSA-N 2 0 226.364 1.677 20 0 BDADRP C[C@@H](C[NH2+][C@H]1CC[NH2+]C1)CC1CCOCC1 ZINC000414882395 386012578 /nfs/dbraw/zinc/01/25/78/386012578.db2.gz MHZCKWUBPSYYSR-YPMHNXCESA-N 2 0 226.364 1.391 20 0 BDADRP CCc1ncc(C[NH2+][C@@H](C)CC[NH3+])s1 ZINC000414882673 386017830 /nfs/dbraw/zinc/01/78/30/386017830.db2.gz MIJQEDLNTQWLII-QMMMGPOBSA-N 2 0 213.350 1.532 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000414178275 386020839 /nfs/dbraw/zinc/02/08/39/386020839.db2.gz JEIPNKXHTUSMEC-GHMZBOCLSA-N 2 0 233.315 1.847 20 0 BDADRP CC(C)OC1CC([NH2+]CC2CC[NH+](C)CC2)C1 ZINC000189533498 386023321 /nfs/dbraw/zinc/02/33/21/386023321.db2.gz FVZVSSOTASLEIG-UHFFFAOYSA-N 2 0 240.391 1.874 20 0 BDADRP CC(C)(C)[NH2+]CCN[C@@H]1CC[NH2+]CC1(C)C ZINC000414979979 386048737 /nfs/dbraw/zinc/04/87/37/386048737.db2.gz VWKUTXFRONXPFU-LLVKDONJSA-N 2 0 227.396 1.352 20 0 BDADRP CC[C@@H]1C[C@@H](C[NH2+]C[C@@H](C)C[NH3+])CCO1 ZINC000414884811 386050496 /nfs/dbraw/zinc/05/04/96/386050496.db2.gz WJCNVZZFWVJLJZ-SDDRHHMPSA-N 2 0 214.353 1.376 20 0 BDADRP C[C@@H](CC1CCOCC1)[NH2+][C@H]1CC[NH2+]C1 ZINC000414888477 386101433 /nfs/dbraw/zinc/10/14/33/386101433.db2.gz RYSISNKGZQHSDP-JQWIXIFHSA-N 2 0 212.337 1.143 20 0 BDADRP CC(=O)Nc1ccc(C[NH2+][C@H](C)CC[NH3+])cc1 ZINC000414888375 386103085 /nfs/dbraw/zinc/10/30/85/386103085.db2.gz RHQIODNKHODBNS-SNVBAGLBSA-N 2 0 235.331 1.472 20 0 BDADRP CC1=CC[C@H]([NH2+]C[C@@]2(O)CCN(C)C2)CC1 ZINC000334459989 386112256 /nfs/dbraw/zinc/11/22/56/386112256.db2.gz UERNFGXEBMTHKC-STQMWFEESA-N 2 0 224.348 1.141 20 0 BDADRP CCc1ncc(C[NH2+]CC2CC[NH+](C)CC2)cn1 ZINC000414320169 386117797 /nfs/dbraw/zinc/11/77/97/386117797.db2.gz AEKXBECVZBSJKM-UHFFFAOYSA-N 2 0 248.374 1.470 20 0 BDADRP Cc1ccc(OCC[N@@H+](C)C[C@H]2CC[NH2+]C2)cc1 ZINC000647873395 386121342 /nfs/dbraw/zinc/12/13/42/386121342.db2.gz DUSVAMPZBKPIBV-AWEZNQCLSA-N 2 0 248.370 1.915 20 0 BDADRP Cc1ncc(C[NH2+]CC2=CC[N@H+](C)CC2)cn1 ZINC000345166370 386063438 /nfs/dbraw/zinc/06/34/38/386063438.db2.gz NMSFEMITUIDVKW-UHFFFAOYSA-N 2 0 232.331 1.137 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@H](C)Cc1ccccc1OC ZINC000414982262 386065247 /nfs/dbraw/zinc/06/52/47/386065247.db2.gz CNTFSNPUYVRCGS-DGCLKSJQSA-N 2 0 236.359 1.953 20 0 BDADRP Cc1cc(F)ccc1C[NH2+]C[C@H](C)C[NH3+] ZINC000414887127 386084465 /nfs/dbraw/zinc/08/44/65/386084465.db2.gz YTFOVFOQKOOXBW-SECBINFHSA-N 2 0 210.296 1.819 20 0 BDADRP CC[N@@H+]1CC[C@@H](NCC2([NH3+])CCC2)[C@@H](C)C1 ZINC000414887761 386095282 /nfs/dbraw/zinc/09/52/82/386095282.db2.gz ZLHIHZWLKBTVNQ-NWDGAFQWSA-N 3 0 225.380 1.188 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+][C@@H](C)CC[NH3+])CCO1 ZINC000414888536 386096992 /nfs/dbraw/zinc/09/69/92/386096992.db2.gz FGPJBIBYASYWOS-QJPTWQEYSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@H](CC1CCOCC1)[NH2+][C@H]1CC[NH2+]C1 ZINC000414888478 386099306 /nfs/dbraw/zinc/09/93/06/386099306.db2.gz RYSISNKGZQHSDP-PWSUYJOCSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@]1(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]C1 ZINC000414991932 386151804 /nfs/dbraw/zinc/15/18/04/386151804.db2.gz BHUXBEIBBZRXDK-XQQFMLRXSA-N 3 0 225.380 1.093 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC000414992452 386156016 /nfs/dbraw/zinc/15/60/16/386156016.db2.gz RPEFJYAGZDGQEC-CHWSQXEVSA-N 2 0 248.370 1.879 20 0 BDADRP CC[N@H+](CCC1CC[NH2+]CC1)C[C@H]1CCOC1 ZINC000647878435 386159897 /nfs/dbraw/zinc/15/98/97/386159897.db2.gz HKKAZCHOKVMNTM-CQSZACIVSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000414994379 386170239 /nfs/dbraw/zinc/17/02/39/386170239.db2.gz DIRXHHUPWIZOSV-AGIUHOORSA-N 2 0 236.363 1.379 20 0 BDADRP CC(C)(C)[NH2+]CCN(C[C@@H]1CCOC1)C1CC1 ZINC000414682544 386170406 /nfs/dbraw/zinc/17/04/06/386170406.db2.gz YKRCZHCHQCGSHL-LBPRGKRZSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414994380 386170617 /nfs/dbraw/zinc/17/06/17/386170617.db2.gz DIRXHHUPWIZOSV-FRRDWIJNSA-N 2 0 236.363 1.379 20 0 BDADRP C[C@@H](CC[NH3+])[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000414894403 386173725 /nfs/dbraw/zinc/17/37/25/386173725.db2.gz LHHLAPNTNBTBBU-LBPRGKRZSA-N 2 0 248.370 1.881 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[C@@H](C[NH+](C)C)C1 ZINC000414685982 386174771 /nfs/dbraw/zinc/17/47/71/386174771.db2.gz ADBHMABZVSNMJO-STQMWFEESA-N 2 0 227.396 1.243 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000414671042 386140462 /nfs/dbraw/zinc/14/04/62/386140462.db2.gz LOSUWHATSQAKQH-SRVKXCTJSA-N 2 0 213.369 1.042 20 0 BDADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@]1(C)CCCO1 ZINC000340530981 386141934 /nfs/dbraw/zinc/14/19/34/386141934.db2.gz INNJTWRUIOLIJQ-OCCSQVGLSA-N 2 0 238.375 1.796 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCN(C)CC[C@H]2C)CC[NH2+]1 ZINC000414693253 386189501 /nfs/dbraw/zinc/18/95/01/386189501.db2.gz MKAIWLDIYXCABY-MCIONIFRSA-N 2 0 239.407 1.401 20 0 BDADRP COCc1cccc(CN2CCC[C@@H]2C[NH3+])c1 ZINC000131354442 386204614 /nfs/dbraw/zinc/20/46/14/386204614.db2.gz ROBDZBYALSUGTJ-CQSZACIVSA-N 2 0 234.343 1.756 20 0 BDADRP CCN(C)c1ccc(C[NH2+][C@H](C)CC[NH3+])cn1 ZINC000414896539 386205323 /nfs/dbraw/zinc/20/53/23/386205323.db2.gz PGDWLWUOGBRTOK-LLVKDONJSA-N 2 0 236.363 1.365 20 0 BDADRP CCC1(CO)CCN(C[C@H]([NH3+])CC(C)C)CC1 ZINC000414701890 386205715 /nfs/dbraw/zinc/20/57/15/386205715.db2.gz LDLNFBMSMCBCSE-CYBMUJFWSA-N 2 0 242.407 1.844 20 0 BDADRP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000414709265 386221442 /nfs/dbraw/zinc/22/14/42/386221442.db2.gz QRBMEXNPCCYKED-FRRDWIJNSA-N 2 0 228.380 1.595 20 0 BDADRP C[C@H](O)CC[N@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414715019 386236016 /nfs/dbraw/zinc/23/60/16/386236016.db2.gz VZGOORIKIVZLOX-SRVKXCTJSA-N 2 0 214.353 1.077 20 0 BDADRP C[NH+](C)CCC[N@H+](C)C[C@@H]1CCCOC1 ZINC000336645495 386252926 /nfs/dbraw/zinc/25/29/26/386252926.db2.gz IAWGZVGJSXBQGU-LBPRGKRZSA-N 2 0 214.353 1.297 20 0 BDADRP CC[N@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1CCOC1 ZINC000336647208 386258054 /nfs/dbraw/zinc/25/80/54/386258054.db2.gz FKFUREGGPURJRD-CHWSQXEVSA-N 2 0 226.364 1.582 20 0 BDADRP [NH3+]CCC[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000414694571 386192591 /nfs/dbraw/zinc/19/25/91/386192591.db2.gz ODYCQOWJHHEJOP-JTQLQIEISA-N 2 0 225.361 1.671 20 0 BDADRP CC(C)C[C@H]([NH3+])CN(C)CCC[NH+]1CCCC1 ZINC000414732594 386286389 /nfs/dbraw/zinc/28/63/89/386286389.db2.gz CUAYXWAYKPATDQ-AWEZNQCLSA-N 2 0 241.423 1.778 20 0 BDADRP COC[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000336665939 386290194 /nfs/dbraw/zinc/29/01/94/386290194.db2.gz YQCLMJGFBGXHGA-NSHDSACASA-N 2 0 214.353 1.295 20 0 BDADRP [NH3+]C[C@@H](NC[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000647988031 386293444 /nfs/dbraw/zinc/29/34/44/386293444.db2.gz HSZXIRZQNRPDDT-WCQYABFASA-N 2 0 225.380 1.093 20 0 BDADRP c1cncc([C@H]2CCC[N@H+]2C[C@H]2CC[NH2+]C2)c1 ZINC000647988130 386294721 /nfs/dbraw/zinc/29/47/21/386294721.db2.gz SERWTXNALLLDCC-GXTWGEPZSA-N 2 0 231.343 1.828 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)C(C)C)C1 ZINC000336667775 386295697 /nfs/dbraw/zinc/29/56/97/386295697.db2.gz ORZRJTRQHXHYJH-OLZOCXBDSA-N 2 0 228.380 1.277 20 0 BDADRP CO[C@@H](C)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000336660661 386299700 /nfs/dbraw/zinc/29/97/00/386299700.db2.gz AWVBAMRFZSYMHN-LBPRGKRZSA-N 2 0 228.380 1.826 20 0 BDADRP CCOC[C@@H](C)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414902422 386321386 /nfs/dbraw/zinc/32/13/86/386321386.db2.gz HZQHAJBXHPKJBZ-GHMZBOCLSA-N 2 0 200.326 1.143 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+][C@H](CO)C(C)(C)C ZINC000414740871 386321463 /nfs/dbraw/zinc/32/14/63/386321463.db2.gz LTPVTFIAHSONKH-WDEREUQCSA-N 2 0 216.369 1.356 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)CN1CC[NH2+]C(C)(C)C ZINC000414739147 386322700 /nfs/dbraw/zinc/32/27/00/386322700.db2.gz JYBMTERMIWWGRV-VXGBXAGGSA-N 2 0 227.396 1.399 20 0 BDADRP C[C@@H](O)CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000336679528 386322748 /nfs/dbraw/zinc/32/27/48/386322748.db2.gz PMUHZQUHPHPPQP-OLZOCXBDSA-N 2 0 226.364 1.175 20 0 BDADRP C[C@H](c1cccc(O)c1)[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000647884687 386264706 /nfs/dbraw/zinc/26/47/06/386264706.db2.gz WXLFYJPEBSIYHQ-VXGBXAGGSA-N 2 0 234.343 1.995 20 0 BDADRP CC[C@@H](COC)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000297601286 386266093 /nfs/dbraw/zinc/26/60/93/386266093.db2.gz UKXBXFCUYVGDRY-LBPRGKRZSA-N 2 0 233.315 1.849 20 0 BDADRP Cc1cccc2ncc(CN3CC[C@@H](C[NH3+])C3)n21 ZINC000335262370 386323893 /nfs/dbraw/zinc/32/38/93/386323893.db2.gz ITUXZIWRFTUXJR-LBPRGKRZSA-N 2 0 244.342 1.423 20 0 BDADRP C[C@@H]1C[NH2+][C@@H](C)CN1CCCC1CC[NH2+]CC1 ZINC000647987571 386275427 /nfs/dbraw/zinc/27/54/27/386275427.db2.gz DMZVFFKTKQWHJH-QWHCGFSZSA-N 2 0 239.407 1.448 20 0 BDADRP C(CN1CC[C@H]2CC[NH2+][C@H]2C1)C1CC[NH2+]CC1 ZINC000647987717 386278616 /nfs/dbraw/zinc/27/86/16/386278616.db2.gz TWMDYDOBQVEDNY-KGLIPLIRSA-N 2 0 237.391 1.060 20 0 BDADRP C[N@H+](C[C@H]1CC[NH2+]C1)[C@H](CCO)c1ccccc1 ZINC000647885743 386278783 /nfs/dbraw/zinc/27/87/83/386278783.db2.gz LHKCCFVVDNMCKJ-DZGCQCFKSA-N 2 0 248.370 1.651 20 0 BDADRP C[C@@H](O)CCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000336682784 386339781 /nfs/dbraw/zinc/33/97/81/386339781.db2.gz FDABTLCNCJDMGS-ZIAGYGMSSA-N 2 0 240.391 1.565 20 0 BDADRP C[C@H]1CC2(C[N@@H+]1CC1CC1)CC[NH2+]CC2 ZINC000335278699 386346333 /nfs/dbraw/zinc/34/63/33/386346333.db2.gz NMXIFRSZLHTJGL-NSHDSACASA-N 2 0 208.349 1.860 20 0 BDADRP CC[C@H]1C[C@@H](C[NH2+]CC[C@H]2CCC[NH2+]2)CCO1 ZINC000414904081 386349451 /nfs/dbraw/zinc/34/94/51/386349451.db2.gz LADDIWKUNDOHBY-MJBXVCDLSA-N 2 0 240.391 1.923 20 0 BDADRP CC[C@@H]1C[C@@H](C[NH2+]CC[C@H]2CCC[NH2+]2)CCO1 ZINC000414904078 386350525 /nfs/dbraw/zinc/35/05/25/386350525.db2.gz LADDIWKUNDOHBY-BFHYXJOUSA-N 2 0 240.391 1.923 20 0 BDADRP CC[NH+]1CCC(N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000335270607 386354960 /nfs/dbraw/zinc/35/49/60/386354960.db2.gz OUJZZGMWIYOLMS-CYBMUJFWSA-N 2 0 225.380 1.202 20 0 BDADRP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000414747820 386356167 /nfs/dbraw/zinc/35/61/67/386356167.db2.gz UXBGPWINTHLWGE-WUHRBBMRSA-N 2 0 226.364 1.063 20 0 BDADRP C([C@H]1CC[NH2+]C1)[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000647989579 386358562 /nfs/dbraw/zinc/35/85/62/386358562.db2.gz HMBRRMVLZRIEAK-JSGCOSHPSA-N 2 0 238.375 1.344 20 0 BDADRP C([C@@H]1CC[NH2+]C1)[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000647989581 386359337 /nfs/dbraw/zinc/35/93/37/386359337.db2.gz HMBRRMVLZRIEAK-TZMCWYRMSA-N 2 0 238.375 1.344 20 0 BDADRP CCOc1cccc(C[NH2+]CCCC[NH3+])n1 ZINC000414906015 386367647 /nfs/dbraw/zinc/36/76/47/386367647.db2.gz OZLNHEHJEIVDLV-UHFFFAOYSA-N 2 0 223.320 1.309 20 0 BDADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000226397196 386387140 /nfs/dbraw/zinc/38/71/40/386387140.db2.gz CRJKPTLMDMLVAO-WOPDTQHZSA-N 2 0 243.395 1.206 20 0 BDADRP CC[N@@H+]1CC[C@@H](NCC[C@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000414906079 386370930 /nfs/dbraw/zinc/37/09/30/386370930.db2.gz ORYNMTRTTLIXDQ-BFHYXJOUSA-N 3 0 239.407 1.448 20 0 BDADRP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CCOC2)CCN1C ZINC000336690430 386372115 /nfs/dbraw/zinc/37/21/15/386372115.db2.gz AXDHVFYRKFFGIJ-FRRDWIJNSA-N 2 0 226.364 1.437 20 0 BDADRP COc1cccc2c1CC[C@H]([NH2+][C@H](C)CC[NH3+])C2 ZINC000414903380 386331587 /nfs/dbraw/zinc/33/15/87/386331587.db2.gz ZNSJHZJWIXPIIA-YPMHNXCESA-N 2 0 248.370 1.879 20 0 BDADRP COc1cccc2c1CC[C@@H]([NH2+][C@H](C)CC[NH3+])C2 ZINC000414903375 386331919 /nfs/dbraw/zinc/33/19/19/386331919.db2.gz ZNSJHZJWIXPIIA-DGCLKSJQSA-N 2 0 248.370 1.879 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCc3cccnc3)C[C@@H]21 ZINC000230045800 386337170 /nfs/dbraw/zinc/33/71/70/386337170.db2.gz ZEBXEIIFILXLPY-SOUVJXGZSA-N 2 0 245.370 1.683 20 0 BDADRP C[C@H](CN(C)C)[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000336700047 386386174 /nfs/dbraw/zinc/38/61/74/386386174.db2.gz NFVYCKYHUCOVHA-WZRBSPASSA-N 2 0 225.380 1.009 20 0 BDADRP COC[C@@H]1CCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000647891509 386393982 /nfs/dbraw/zinc/39/39/82/386393982.db2.gz KWWFUNDXIYMVKH-AWEZNQCLSA-N 2 0 240.391 1.877 20 0 BDADRP Cc1ccc(CCC[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cn1 ZINC000339411218 386414810 /nfs/dbraw/zinc/41/48/10/386414810.db2.gz VYFLHTYLEAVAAC-SWLSCSKDSA-N 2 0 247.386 1.992 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCOC[C@@H](C)C2)CC[NH2+]1 ZINC000399116408 386415220 /nfs/dbraw/zinc/41/52/20/386415220.db2.gz DKRFHRWNMCGHJX-YNEHKIRRSA-N 2 0 226.364 1.343 20 0 BDADRP C[NH+](C)CC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000336707697 386415197 /nfs/dbraw/zinc/41/51/97/386415197.db2.gz UBYOAEIZVPUUEO-ZDUSSCGKSA-N 2 0 226.364 1.439 20 0 BDADRP C[C@H]1C[C@H](C[N@@H+]2CCOC[C@@H](C)C2)CC[NH2+]1 ZINC000399116404 386415458 /nfs/dbraw/zinc/41/54/58/386415458.db2.gz DKRFHRWNMCGHJX-RWMBFGLXSA-N 2 0 226.364 1.343 20 0 BDADRP C[N@@H+]1CC[C@H]2CCN(CC[NH2+]C(C)(C)C)[C@H]2C1 ZINC000414761331 386418456 /nfs/dbraw/zinc/41/84/56/386418456.db2.gz SQDYTPKJKJSUBW-STQMWFEESA-N 2 0 239.407 1.401 20 0 BDADRP C[N@@H+]1CC[C@@H]2CCN(CC[NH2+]C(C)(C)C)[C@@H]2C1 ZINC000414761325 386418642 /nfs/dbraw/zinc/41/86/42/386418642.db2.gz SQDYTPKJKJSUBW-CHWSQXEVSA-N 2 0 239.407 1.401 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCC1CC(O)C1 ZINC000519381423 386419270 /nfs/dbraw/zinc/41/92/70/386419270.db2.gz GKMPSPZOCOLBSE-IFWUJCSASA-N 2 0 226.364 1.397 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCC1CC(O)C1 ZINC000519381425 386420377 /nfs/dbraw/zinc/42/03/77/386420377.db2.gz GKMPSPZOCOLBSE-TYUFSLCMSA-N 2 0 226.364 1.397 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCC[C@H]1O ZINC000323790607 386471725 /nfs/dbraw/zinc/47/17/25/386471725.db2.gz CNYSXBSOBITQOG-GMTAPVOTSA-N 2 0 200.326 1.007 20 0 BDADRP CC[C@H]1C[N@H+](Cc2ccnc(N)c2)CC[C@H]1[NH3+] ZINC000647934735 386479651 /nfs/dbraw/zinc/47/96/51/386479651.db2.gz OFUWKJUCWQLYBA-NWDGAFQWSA-N 2 0 234.347 1.053 20 0 BDADRP C[C@@H]([NH2+][C@H]1CO[C@H](C)C1)c1cnccc1N ZINC000519538458 386481194 /nfs/dbraw/zinc/48/11/94/386481194.db2.gz DLLCHVYVKIIFHK-OPRDCNLKSA-N 2 0 221.304 1.322 20 0 BDADRP CC1(C)CCC[C@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000414777711 386483862 /nfs/dbraw/zinc/48/38/62/386483862.db2.gz HHGHGHAPVIEYTA-CYBMUJFWSA-N 2 0 239.407 1.450 20 0 BDADRP O[C@H]1C[NH2+]C[C@H]1C[NH2+]CCC1CCCCCC1 ZINC000414778186 386484739 /nfs/dbraw/zinc/48/47/39/386484739.db2.gz DYCWTNKQZYLULR-KGLIPLIRSA-N 2 0 240.391 1.517 20 0 BDADRP CC1(C[NH2+]C[C@@H]2CCSC2)CC[NH2+]CC1 ZINC000414913290 386485241 /nfs/dbraw/zinc/48/52/41/386485241.db2.gz VYGGFXHMTGERON-NSHDSACASA-N 2 0 228.405 1.719 20 0 BDADRP COc1cccc2c1CC[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])C2 ZINC000415011283 386487213 /nfs/dbraw/zinc/48/72/13/386487213.db2.gz HLQQOGSWCYKBFK-GVXVVHGQSA-N 2 0 248.370 1.878 20 0 BDADRP CC1(C[NH2+]Cc2cccnc2)CC[NH2+]CC1 ZINC000414913843 386489929 /nfs/dbraw/zinc/48/99/29/386489929.db2.gz XCIBGWYZFJIZOS-UHFFFAOYSA-N 2 0 219.332 1.561 20 0 BDADRP C[C@H]1CCCC[C@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000414779760 386492510 /nfs/dbraw/zinc/49/25/10/386492510.db2.gz KFOIJNFQCYEGBY-UONOGXRCSA-N 2 0 239.407 1.450 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000519596371 386496531 /nfs/dbraw/zinc/49/65/31/386496531.db2.gz OTINJBCCHAZHRC-XQQFMLRXSA-N 3 0 225.380 1.236 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000519596372 386497520 /nfs/dbraw/zinc/49/75/20/386497520.db2.gz OTINJBCCHAZHRC-YNEHKIRRSA-N 3 0 225.380 1.236 20 0 BDADRP C[C@@H]([NH2+]CCCc1ccc2c(c1)CCO2)[C@H](C)[NH3+] ZINC000415015297 386501332 /nfs/dbraw/zinc/50/13/32/386501332.db2.gz MREPLYOMXRILAG-NWDGAFQWSA-N 2 0 248.370 1.879 20 0 BDADRP Cc1ccc(F)cc1CN[C@@H](C)[C@H](C)[NH3+] ZINC000415017690 386502620 /nfs/dbraw/zinc/50/26/20/386502620.db2.gz QKBRCYBPDWGHDN-UWVGGRQHSA-N 2 0 210.296 1.959 20 0 BDADRP C[C@@H](NCc1ccn(-c2ccccc2)n1)[C@H](C)[NH3+] ZINC000415017344 386502709 /nfs/dbraw/zinc/50/27/09/386502709.db2.gz PTPDETHFYODDON-NWDGAFQWSA-N 2 0 244.342 1.698 20 0 BDADRP [NH3+]CCC[C@@H](N[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000415050609 386505168 /nfs/dbraw/zinc/50/51/68/386505168.db2.gz IVITYBSQMSHLIO-HUUCEWRRSA-N 2 0 247.386 1.808 20 0 BDADRP CCc1ncc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)s1 ZINC000415050297 386505748 /nfs/dbraw/zinc/50/57/48/386505748.db2.gz YKBDFGHFPDSTMF-UWVGGRQHSA-N 2 0 239.388 1.923 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+][C@@H](C)[C@@H](C)[NH3+])CCO1 ZINC000415020228 386509688 /nfs/dbraw/zinc/50/96/88/386509688.db2.gz SPUJMNNYMXTCJM-WRWGMCAJSA-N 2 0 214.353 1.517 20 0 BDADRP CCc1nc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)cs1 ZINC000415044469 386529988 /nfs/dbraw/zinc/52/99/88/386529988.db2.gz SRPABBULEBVJLW-UWVGGRQHSA-N 2 0 239.388 1.923 20 0 BDADRP COc1ccc(C[NH2+][C@H](C)CCC[NH3+])cc1O ZINC000415025995 386513704 /nfs/dbraw/zinc/51/37/04/386513704.db2.gz SJKCOSABKMIVKB-SNVBAGLBSA-N 2 0 238.331 1.618 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)CCC[NH3+])[C@@H](C)C1 ZINC000415027119 386516267 /nfs/dbraw/zinc/51/62/67/386516267.db2.gz WCNGTPIACMSJLL-XQQFMLRXSA-N 3 0 227.396 1.434 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)CCC[NH3+])[C@H](C)C1 ZINC000415027118 386517185 /nfs/dbraw/zinc/51/71/85/386517185.db2.gz WCNGTPIACMSJLL-UPJWGTAASA-N 3 0 227.396 1.434 20 0 BDADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000331390307 386517267 /nfs/dbraw/zinc/51/72/67/386517267.db2.gz QAXJMZKRIGAFMH-RTXFEEFZSA-N 2 0 248.374 1.515 20 0 BDADRP Cc1ccncc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000135500258 386519409 /nfs/dbraw/zinc/51/94/09/386519409.db2.gz CLLHBQZZKGFALG-ZDUSSCGKSA-N 2 0 233.359 1.951 20 0 BDADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cccc(O)c2)C1 ZINC000415034639 386521745 /nfs/dbraw/zinc/52/17/45/386521745.db2.gz KCCNDHSATRXPGE-PWSUYJOCSA-N 2 0 220.316 1.609 20 0 BDADRP C[C@@H]1OCC[C@@]1(C)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000336780227 386522219 /nfs/dbraw/zinc/52/22/19/386522219.db2.gz QPSFPMYUBBIAGJ-YNEHKIRRSA-N 2 0 226.364 1.628 20 0 BDADRP CCOC[C@H](C)[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415036579 386525098 /nfs/dbraw/zinc/52/50/98/386525098.db2.gz LOYRTMSWCPXHEA-AXFHLTTASA-N 2 0 200.326 1.128 20 0 BDADRP CC(C)(C)[NH2+]CC[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414911099 386453555 /nfs/dbraw/zinc/45/35/55/386453555.db2.gz UASGYZHKYQDIGU-UHFFFAOYSA-N 3 0 227.396 1.354 20 0 BDADRP CC(C)(O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977954 386578331 /nfs/dbraw/zinc/57/83/31/386578331.db2.gz KDOCRFBKWNXLRR-QWHCGFSZSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000647905008 386583024 /nfs/dbraw/zinc/58/30/24/386583024.db2.gz DBJUDPFTICWRPT-OCCSQVGLSA-N 3 0 239.407 1.435 20 0 BDADRP CC(C)OCCC[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415081525 386592040 /nfs/dbraw/zinc/59/20/40/386592040.db2.gz KPRJZFZVKQKRMW-QWHCGFSZSA-N 2 0 228.380 1.779 20 0 BDADRP [NH3+]C1CCC([NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)CC1 ZINC000415083102 386595138 /nfs/dbraw/zinc/59/51/38/386595138.db2.gz FFRMJKMSVHKQJD-LFGDDXOXSA-N 2 0 238.375 1.804 20 0 BDADRP CC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C1 ZINC000415044566 386530950 /nfs/dbraw/zinc/53/09/50/386530950.db2.gz SCWCJECUFCABIB-RDBSUJKOSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)C1CCC1 ZINC000415045229 386532561 /nfs/dbraw/zinc/53/25/61/386532561.db2.gz TVBMMNIKWXGACI-JQWIXIFHSA-N 2 0 212.337 1.143 20 0 BDADRP Cc1ncccc1C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415045943 386532618 /nfs/dbraw/zinc/53/26/18/386532618.db2.gz URKBXKVVLJYIBD-DGCLKSJQSA-N 2 0 219.332 1.607 20 0 BDADRP COc1ccsc1C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415048650 386534138 /nfs/dbraw/zinc/53/41/38/386534138.db2.gz XAHVDVIIIUGPSP-NXEZZACHSA-N 2 0 240.372 1.974 20 0 BDADRP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000414789511 386539503 /nfs/dbraw/zinc/53/95/03/386539503.db2.gz OQNNHDOSRZERIC-LSDHHAIUSA-N 2 0 246.354 1.234 20 0 BDADRP Cc1ccc(O)c(CN[C@H](C[NH3+])C(C)(C)C)n1 ZINC000415058524 386541344 /nfs/dbraw/zinc/54/13/44/386541344.db2.gz TXAGPHDEBYSXGG-GFCCVEGCSA-N 2 0 237.347 1.559 20 0 BDADRP Cc1ccc([C@@H]([NH3+])C(=O)NC[C@@H](C)[NH+](C)C)cc1 ZINC000228093188 386541616 /nfs/dbraw/zinc/54/16/16/386541616.db2.gz ZIYLYGHPEYCZRG-DGCLKSJQSA-N 2 0 249.358 1.061 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@H](CN)C(C)(C)C)CC[NH2+]1 ZINC000415057822 386541973 /nfs/dbraw/zinc/54/19/73/386541973.db2.gz UMDDOGQLHJPRQF-IJLUTSLNSA-N 2 0 227.396 1.338 20 0 BDADRP C[N@H+](CCCC1CCCCC1)C[C@@H](O)C[NH3+] ZINC000415063534 386544228 /nfs/dbraw/zinc/54/42/28/386544228.db2.gz AAMSISMLHMKEFM-ZDUSSCGKSA-N 2 0 228.380 1.598 20 0 BDADRP C[C@@H](CC1CCCCC1)C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000415064445 386544367 /nfs/dbraw/zinc/54/43/67/386544367.db2.gz CNXNYCCVZWHIKI-JSGCOSHPSA-N 2 0 242.407 1.844 20 0 BDADRP CC(=O)CC[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000267453847 386544792 /nfs/dbraw/zinc/54/47/92/386544792.db2.gz SGOBUYUQPTWUKF-LLVKDONJSA-N 2 0 221.304 1.568 20 0 BDADRP C[C@H]([NH2+]CCOCC[NH+](C)C)C(C)(C)C ZINC000336755910 386546621 /nfs/dbraw/zinc/54/66/21/386546621.db2.gz JAHHVDAQGWKQLE-NSHDSACASA-N 2 0 216.369 1.589 20 0 BDADRP C1CC1[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415066571 386547473 /nfs/dbraw/zinc/54/74/73/386547473.db2.gz TWLHPCAYDZADDD-PDWCTOEPSA-N 2 0 220.360 1.763 20 0 BDADRP CO[C@H](C)CC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000308538039 386551392 /nfs/dbraw/zinc/55/13/92/386551392.db2.gz GSRJTRQJRYYWKB-VWYCJHECSA-N 2 0 200.326 1.128 20 0 BDADRP COC[C@@H](C)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063197328 386552873 /nfs/dbraw/zinc/55/28/73/386552873.db2.gz JQGDBFJQYQCHAS-DGCLKSJQSA-N 2 0 226.364 1.485 20 0 BDADRP NC(=O)c1ccc(C[NH2+]CCC[NH2+]C2CC2)cc1 ZINC000415072904 386567407 /nfs/dbraw/zinc/56/74/07/386567407.db2.gz XHFMLGWDRUNBKQ-UHFFFAOYSA-N 2 0 247.342 1.017 20 0 BDADRP CCC(CC)(CCO)C[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC000415075954 386571129 /nfs/dbraw/zinc/57/11/29/386571129.db2.gz BWCREUGFZBLXBT-CYBMUJFWSA-N 2 0 242.407 1.764 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)C1CCOCC1 ZINC000335497930 386624468 /nfs/dbraw/zinc/62/44/68/386624468.db2.gz AZYAWOANITWPRQ-DGCLKSJQSA-N 2 0 226.364 1.533 20 0 BDADRP C1=C(C[NH2+][C@@H]2CCCSC2)CC[NH2+]C1 ZINC000335499449 386625572 /nfs/dbraw/zinc/62/55/72/386625572.db2.gz FPCVUEOLWYQPKJ-LLVKDONJSA-N 2 0 212.362 1.391 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](CO)[C@H]2C)CC[NH2+]1 ZINC000415133973 386639511 /nfs/dbraw/zinc/63/95/11/386639511.db2.gz DAJKXHBNXUQZON-AAVRWANBSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647906696 386639575 /nfs/dbraw/zinc/63/95/75/386639575.db2.gz MEWQTUUOAKIXCU-GXTWGEPZSA-N 3 0 239.407 1.435 20 0 BDADRP C[C@H]1NCCC[C@H]1[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415146385 386643494 /nfs/dbraw/zinc/64/34/94/386643494.db2.gz YOUIUCGUOCUPDK-QNWHQSFQSA-N 2 0 225.380 1.105 20 0 BDADRP c1cncc([C@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)c1 ZINC000335423480 386599117 /nfs/dbraw/zinc/59/91/17/386599117.db2.gz KRVVPWHGECNTBV-HNNXBMFYSA-N 2 0 245.370 1.871 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+]CC1(CCO)CCCC1 ZINC000415085716 386604852 /nfs/dbraw/zinc/60/48/52/386604852.db2.gz RACMYYYYYSBHTH-ZDUSSCGKSA-N 2 0 242.407 1.892 20 0 BDADRP CCOC[C@@H](C)[NH2+]CC([NH3+])(CC)CC ZINC000414804064 386605710 /nfs/dbraw/zinc/60/57/10/386605710.db2.gz DSOGBCYFPJNJBB-SNVBAGLBSA-N 2 0 202.342 1.519 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+]CCc1ccccn1 ZINC000415099657 386608612 /nfs/dbraw/zinc/60/86/12/386608612.db2.gz GXDCVDHMIBSQCJ-LBPRGKRZSA-N 2 0 221.348 1.587 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H]2CCO)CC[NH2+]1 ZINC000415090396 386610161 /nfs/dbraw/zinc/61/01/61/386610161.db2.gz ALLGJYWPISGBGF-UPJWGTAASA-N 2 0 226.364 1.221 20 0 BDADRP C[C@H]([NH3+])c1ccc(C[NH2+]C[C@]2(C)CC[NH2+]C2)cc1 ZINC000414807734 386612888 /nfs/dbraw/zinc/61/28/88/386612888.db2.gz CZQVBRXSRRNOPY-SWLSCSKDSA-N 3 0 247.386 1.796 20 0 BDADRP C[C@@]1(C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC[NH2+]C1 ZINC000335493415 386612987 /nfs/dbraw/zinc/61/29/87/386612987.db2.gz CREATDQMTLHHGW-CQSZACIVSA-N 2 0 245.326 1.228 20 0 BDADRP COc1cc(C)c(CNCC(C)(C)[NH3+])c(C)n1 ZINC000414807518 386618207 /nfs/dbraw/zinc/61/82/07/386618207.db2.gz RKXYLVQYPJFCPF-UHFFFAOYSA-N 2 0 237.347 1.534 20 0 BDADRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000428120128 386662075 /nfs/dbraw/zinc/66/20/75/386662075.db2.gz JJYALWSVTMZAJC-VXGBXAGGSA-N 2 0 241.379 1.057 20 0 BDADRP CC[N@H+](CCN[C@H]1C[NH+](C)C[C@H]1C)C(C)C ZINC000336759474 386664232 /nfs/dbraw/zinc/66/42/32/386664232.db2.gz JBEGMFRCCPDCFF-OLZOCXBDSA-N 2 0 227.396 1.256 20 0 BDADRP [NH3+]C1CCC([N@@H+]2CCC[C@]3(CCOC3)C2)CC1 ZINC000335525355 386669385 /nfs/dbraw/zinc/66/93/85/386669385.db2.gz KJKIATILTYDRGA-RUXDESIVSA-N 2 0 238.375 1.759 20 0 BDADRP C[NH+](C)CCCCNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000041679567 386673191 /nfs/dbraw/zinc/67/31/91/386673191.db2.gz RZRCAJZGQJMNPK-ZDUSSCGKSA-N 2 0 249.358 1.144 20 0 BDADRP C[NH+]1CCC(N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000414830667 386709909 /nfs/dbraw/zinc/70/99/09/386709909.db2.gz BIVPOJOMBOCATH-AWEZNQCLSA-N 2 0 239.407 1.578 20 0 BDADRP CC[N@@H+]1CC[C@@H](NCC2([NH+](C)C)CC2)[C@@H](C)C1 ZINC000417382462 386690141 /nfs/dbraw/zinc/69/01/41/386690141.db2.gz OAXFWBBCONEAQH-QWHCGFSZSA-N 2 0 239.407 1.401 20 0 BDADRP CC[N@@H+]1CC[C@H](NCC2([NH+](C)C)CC2)[C@H](C)C1 ZINC000417382460 386690295 /nfs/dbraw/zinc/69/02/95/386690295.db2.gz OAXFWBBCONEAQH-OLZOCXBDSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@@]1(CNC[C@@H]([NH3+])c2ccccc2)CC[NH2+]C1 ZINC000414825777 386690386 /nfs/dbraw/zinc/69/03/86/386690386.db2.gz DBSGONJSFWGFBE-ZIAGYGMSSA-N 2 0 233.359 1.276 20 0 BDADRP C(C[C@@H]1CC[NH2+]C1)[NH2+]C[C@@H]1CCCOC1 ZINC000414827480 386694536 /nfs/dbraw/zinc/69/45/36/386694536.db2.gz HASSHCPUDJEQDH-RYUDHWBXSA-N 2 0 212.337 1.002 20 0 BDADRP CC[NH2+]CCNC1CC[NH+](C(C)C)CC1 ZINC000414828538 386697558 /nfs/dbraw/zinc/69/75/58/386697558.db2.gz KQGLPIAJISJKBC-UHFFFAOYSA-N 2 0 213.369 1.058 20 0 BDADRP Oc1cccc(C[NH2+]CC[C@H]2CC[NH2+]C2)c1 ZINC000414836953 386731254 /nfs/dbraw/zinc/73/12/54/386731254.db2.gz TVNFLPOFSPTVLW-LLVKDONJSA-N 2 0 220.316 1.481 20 0 BDADRP C1CC1[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH2+]CC1 ZINC000335483604 386712709 /nfs/dbraw/zinc/71/27/09/386712709.db2.gz ORXWETOVCJOJFX-STQMWFEESA-N 2 0 208.349 1.907 20 0 BDADRP C[NH2+]CCNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000417781641 386715935 /nfs/dbraw/zinc/71/59/35/386715935.db2.gz KGORVZKPDQLYGJ-GFCCVEGCSA-N 2 0 249.358 1.048 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414834228 386723893 /nfs/dbraw/zinc/72/38/93/386723893.db2.gz HDFGLKNIZARGRH-HZSPNIEDSA-N 3 0 239.407 1.496 20 0 BDADRP CN(CCC[NH2+]CC(C)(C)C)CC[NH+](C)C ZINC000623087835 386724140 /nfs/dbraw/zinc/72/41/40/386724140.db2.gz KRSWSBOGVORIET-UHFFFAOYSA-N 2 0 229.412 1.506 20 0 BDADRP Cc1cc(CN[C@H](C)C[NH3+])cc2cccnc12 ZINC000414928801 386725400 /nfs/dbraw/zinc/72/54/00/386725400.db2.gz NBRILNUNCUORAL-LLVKDONJSA-N 2 0 229.327 1.980 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+]Cc1cnccc1C ZINC000414840778 386752283 /nfs/dbraw/zinc/75/22/83/386752283.db2.gz NIFONQFJPGTUDR-JTQLQIEISA-N 2 0 207.321 1.335 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+]C[C@H]2CCC[NH2+]2)CCO1 ZINC000414841325 386754533 /nfs/dbraw/zinc/75/45/33/386754533.db2.gz HTYMCSWZVSEQCP-JHJVBQTASA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H](CC1CCOCC1)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414839455 386740984 /nfs/dbraw/zinc/74/09/84/386740984.db2.gz WKJOQYJELJJXBS-OCCSQVGLSA-N 2 0 240.391 1.781 20 0 BDADRP CC[N@@H+]1CC[C@H](NC[C@H](C)C[NH2+]C)[C@@H](C)C1 ZINC000414838834 386743434 /nfs/dbraw/zinc/74/34/34/386743434.db2.gz LRNKLZXCOZAADD-AGIUHOORSA-N 2 0 227.396 1.162 20 0 BDADRP C[C@H]1COCC[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000192128838 386743639 /nfs/dbraw/zinc/74/36/39/386743639.db2.gz YPCWGWGAJIWROK-UONOGXRCSA-N 2 0 240.391 1.877 20 0 BDADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)C[C@@H](C)[NH3+] ZINC000417832318 386792672 /nfs/dbraw/zinc/79/26/72/386792672.db2.gz LFHDPVSXMCGGFO-MFKMUULPSA-N 2 0 249.358 1.102 20 0 BDADRP CCc1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)on1 ZINC000647785615 386789293 /nfs/dbraw/zinc/78/92/93/386789293.db2.gz CFSVOVRYCWPIJI-NTZNESFSSA-N 2 0 249.358 1.715 20 0 BDADRP CCc1cc(N2CC[NH+](CC)CC2)cc[nH+]1 ZINC000334759871 386820298 /nfs/dbraw/zinc/82/02/98/386820298.db2.gz UPSSGDGPFPAAHC-UHFFFAOYSA-N 2 0 219.332 1.786 20 0 BDADRP COC1CCC([NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000414846924 386821391 /nfs/dbraw/zinc/82/13/91/386821391.db2.gz FMBDTUCZTMSXQB-FEPKRQSRSA-N 2 0 240.391 1.922 20 0 BDADRP CCN(CC[NH3+])C(=O)CC1(C[NH3+])CCCCC1 ZINC000638516443 386803948 /nfs/dbraw/zinc/80/39/48/386803948.db2.gz BSIZDZDGUJFKNO-UHFFFAOYSA-N 2 0 241.379 1.093 20 0 BDADRP CC(C)c1ncc(CN[C@@H](C)C[NH3+])s1 ZINC000414937669 386840864 /nfs/dbraw/zinc/84/08/64/386840864.db2.gz DPRHDEPVKGRJJN-QMMMGPOBSA-N 2 0 213.350 1.703 20 0 BDADRP CC(C)([NH3+])CNC[C@@H]1[NH2+]CCCC1(C)C ZINC000414938019 386856039 /nfs/dbraw/zinc/85/60/39/386856039.db2.gz XZWGDFSRSIPMDL-JTQLQIEISA-N 2 0 213.369 1.092 20 0 BDADRP Cc1cnc(CN[C@H]2C[N@H+](C3CC3)C[C@@H]2C)n1C ZINC000341256357 386867876 /nfs/dbraw/zinc/86/78/76/386867876.db2.gz HKRSSATUZAIADV-GWCFXTLKSA-N 2 0 248.374 1.301 20 0 BDADRP C(C[N@@H+]1CCO[C@H]2CCC[C@@H]21)[C@@H]1CCC[NH2+]C1 ZINC000051919587 386872752 /nfs/dbraw/zinc/87/27/52/386872752.db2.gz LFKHSYNDUJJOKI-IHRRRGAJSA-N 2 0 238.375 1.629 20 0 BDADRP [NH3+]C1(CN[C@H]2CCC[NH2+]C2)CCCCCC1 ZINC000334839188 386882244 /nfs/dbraw/zinc/88/22/44/386882244.db2.gz YHHRHUJLQBXMJE-LBPRGKRZSA-N 2 0 225.380 1.380 20 0 BDADRP CC(C)C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000334862231 386916025 /nfs/dbraw/zinc/91/60/25/386916025.db2.gz JERLRIUEUUQRTF-UONOGXRCSA-N 2 0 240.391 1.861 20 0 BDADRP C[C@H]1OCC[C@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000334862378 386917094 /nfs/dbraw/zinc/91/70/94/386917094.db2.gz KWRISGKXAFNYKO-GHMZBOCLSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H]1C[C@@H](C[N@@H+]2CCN(C)CC2(C)C)CC[NH2+]1 ZINC000334853500 386904378 /nfs/dbraw/zinc/90/43/78/386904378.db2.gz DFCHGAFCIVIHLL-STQMWFEESA-N 2 0 239.407 1.401 20 0 BDADRP CC(C)OCCC[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443055690 386913349 /nfs/dbraw/zinc/91/33/49/386913349.db2.gz BHSSTHAEJYYWRN-ZDUSSCGKSA-N 2 0 228.380 1.862 20 0 BDADRP C[N@H+](Cc1ccc2c[nH]nc2c1)C1CC([NH3+])C1 ZINC000334867960 386926366 /nfs/dbraw/zinc/92/63/66/386926366.db2.gz GQZCUVJJKPZFGP-UHFFFAOYSA-N 2 0 230.315 1.484 20 0 BDADRP Cc1ccncc1CN[C@H]1CC[NH2+][C@H](C)C1 ZINC000334869034 386928387 /nfs/dbraw/zinc/92/83/87/386928387.db2.gz ODIJOLLPMSLPNA-YPMHNXCESA-N 2 0 219.332 1.620 20 0 BDADRP C[C@]1(CN[C@H]2CCC[NH2+]CC2)CCC[NH2+]C1 ZINC000334873140 386934253 /nfs/dbraw/zinc/93/42/53/386934253.db2.gz HIOFYIXMNPSIGO-STQMWFEESA-N 2 0 225.380 1.108 20 0 BDADRP C[C@H]([NH2+]C1CCSCC1)[C@@H]1CCC[NH2+]C1 ZINC000334875067 386936552 /nfs/dbraw/zinc/93/65/52/386936552.db2.gz RFHLISLQESGGFQ-WDEREUQCSA-N 2 0 228.405 1.860 20 0 BDADRP Cc1ccc(O)c(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000162187201 386946237 /nfs/dbraw/zinc/94/62/37/386946237.db2.gz CUHYHOOCBKVKES-MNOVXSKESA-N 2 0 235.331 1.265 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CC[C@@H]1SC ZINC000425352044 386961298 /nfs/dbraw/zinc/96/12/98/386961298.db2.gz HKGJRQJLAAZVQQ-NEPJUHHUSA-N 2 0 246.420 1.438 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000332432686 386979105 /nfs/dbraw/zinc/97/91/05/386979105.db2.gz VOEHPQZEWPUVMT-YIYPIFLZSA-N 2 0 239.407 1.480 20 0 BDADRP CC[C@@H](CNC(N)=[NH2+])[N@@H+]1CCc2ccccc2C1 ZINC000303255169 386996572 /nfs/dbraw/zinc/99/65/72/386996572.db2.gz GBZBBIRWZPIJIM-ZDUSSCGKSA-N 2 0 246.358 1.306 20 0 BDADRP CCC(O)(CC)C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000332058911 386951642 /nfs/dbraw/zinc/95/16/42/386951642.db2.gz YBEHPSONIZJKOL-NEPJUHHUSA-N 2 0 228.380 1.787 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc2c(c1)CCO2 ZINC000216070055 387030563 /nfs/dbraw/zinc/03/05/63/387030563.db2.gz LBUWMSSAESGWPW-DGCLKSJQSA-N 2 0 246.354 1.791 20 0 BDADRP [NH3+]CCN1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000334966826 387049676 /nfs/dbraw/zinc/04/96/76/387049676.db2.gz HCKJAHPTDYAEHX-VIFPVBQESA-N 2 0 236.281 2.000 20 0 BDADRP Cc1cc(C2CCN(C[C@H](C)[NH3+])CC2)n[nH]1 ZINC000334968799 387052436 /nfs/dbraw/zinc/05/24/36/387052436.db2.gz NCEULEZVJVTGCF-VIFPVBQESA-N 2 0 222.336 1.245 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1NCc1nc(C2CC2)cs1 ZINC000333261777 387024452 /nfs/dbraw/zinc/02/44/52/387024452.db2.gz IXUWXOJZIZZTEU-VHSXEESVSA-N 2 0 237.372 1.990 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000333328226 387028380 /nfs/dbraw/zinc/02/83/80/387028380.db2.gz VRYVJRMXTKUFJI-NWDGAFQWSA-N 2 0 238.375 1.399 20 0 BDADRP C[N@H+](CCC1CC[NH2+]CC1)[C@H]1CCC[NH2+]CC1 ZINC000359224164 387069201 /nfs/dbraw/zinc/06/92/01/387069201.db2.gz RJGFAPJRCWNZKX-AWEZNQCLSA-N 2 0 239.407 1.450 20 0 BDADRP C[C@@H]1CN[C@@H](C)C[N@@H+]1CCC1CC[NH2+]CC1 ZINC000334983417 387069338 /nfs/dbraw/zinc/06/93/38/387069338.db2.gz KBMUCMSDUDWAEB-NWDGAFQWSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@H](C[NH2+]C[C@@H]1C[C@H]1C)C[NH+]1CCCC1 ZINC000336765721 387081269 /nfs/dbraw/zinc/08/12/69/387081269.db2.gz RKBDWUYFRGHQBB-UPJWGTAASA-N 2 0 210.365 1.964 20 0 BDADRP Fc1ccc2c(c1)[C@H]([NH+]1C[C@H]3C[NH2+]C[C@@H]3C1)CC2 ZINC000359294108 387081874 /nfs/dbraw/zinc/08/18/74/387081874.db2.gz AYQVJTREQUWISS-LALPHHSUSA-N 2 0 246.329 1.964 20 0 BDADRP CC[C@H]([NH2+]C[C@H](C)C[NH3+])C1(C(=O)OC)CCC1 ZINC000423299563 387130741 /nfs/dbraw/zinc/13/07/41/387130741.db2.gz BWRRIARKUKGBNB-MNOVXSKESA-N 2 0 242.363 1.293 20 0 BDADRP C(C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)[C@H]1CC[NH2+]C1 ZINC000334994007 387084498 /nfs/dbraw/zinc/08/44/98/387084498.db2.gz REJSFCLWXLZLOX-ZIAGYGMSSA-N 3 0 237.391 1.062 20 0 BDADRP CCc1cccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000334996190 387088064 /nfs/dbraw/zinc/08/80/64/387088064.db2.gz LMZQLSWZWUKOMT-GASCZTMLSA-N 2 0 230.355 1.900 20 0 BDADRP Cc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)c(C)n1 ZINC000334998258 387090984 /nfs/dbraw/zinc/09/09/84/387090984.db2.gz NFAXSVSJKBBMGS-CYBMUJFWSA-N 2 0 233.359 1.869 20 0 BDADRP CC(C)[NH+]1CCC(N[C@H](C)c2cn[nH]c2)CC1 ZINC000228831731 387131530 /nfs/dbraw/zinc/13/15/30/387131530.db2.gz ODNFTYFHGLXADF-LLVKDONJSA-N 2 0 236.363 1.933 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000335025568 387115664 /nfs/dbraw/zinc/11/56/64/387115664.db2.gz SQQMBRRMZRTWJE-QWHCGFSZSA-N 3 0 239.407 1.306 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000335025569 387116857 /nfs/dbraw/zinc/11/68/57/387116857.db2.gz SQQMBRRMZRTWJE-STQMWFEESA-N 3 0 239.407 1.306 20 0 BDADRP CC(C)(C)[C@H]1C[C@H]([NH2+]C2CC[NH2+]CC2)CCO1 ZINC000335026345 387119140 /nfs/dbraw/zinc/11/91/40/387119140.db2.gz MOGAUUDWDIIJAZ-CHWSQXEVSA-N 2 0 240.391 1.922 20 0 BDADRP C[NH+]1CCC(N[C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000335029059 387122902 /nfs/dbraw/zinc/12/29/02/387122902.db2.gz LOUVCIXUTKASBM-CHWSQXEVSA-N 2 0 225.380 1.330 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000423298686 387129815 /nfs/dbraw/zinc/12/98/15/387129815.db2.gz ARJUZTLXVJRHEX-TVQRCGJNSA-N 2 0 237.322 1.856 20 0 BDADRP CC(C)CO[C@H]1C[C@H]([NH2+]CC2C[NH2+]C2)C1(C)C ZINC000423308727 387142702 /nfs/dbraw/zinc/14/27/02/387142702.db2.gz YETWKPJZENARCB-STQMWFEESA-N 2 0 240.391 1.635 20 0 BDADRP CCC[NH2+]CCN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423307550 387143612 /nfs/dbraw/zinc/14/36/12/387143612.db2.gz HAWROUACDRKAMH-HIFRSBDPSA-N 2 0 249.402 1.534 20 0 BDADRP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@H](C)C[NH3+] ZINC000423307193 387144468 /nfs/dbraw/zinc/14/44/68/387144468.db2.gz MWGKRMUKJHAUCD-RYUDHWBXSA-N 2 0 224.352 1.092 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000423310249 387145175 /nfs/dbraw/zinc/14/51/75/387145175.db2.gz ROAQLYXUYJCQST-XJFOESAGSA-N 2 0 240.391 1.766 20 0 BDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NCC1C[NH2+]C1 ZINC000423310342 387145424 /nfs/dbraw/zinc/14/54/24/387145424.db2.gz AAONRROOJSKBIU-DGCLKSJQSA-N 2 0 225.380 1.106 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000423310575 387147047 /nfs/dbraw/zinc/14/70/47/387147047.db2.gz SAOSUZOAAIEFGC-KXNHARMFSA-N 2 0 226.364 1.374 20 0 BDADRP C[C@@H](CC(N)=O)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000120022107 387147239 /nfs/dbraw/zinc/14/72/39/387147239.db2.gz MOHMDXLHPUYDPL-VIFPVBQESA-N 2 0 241.379 1.149 20 0 BDADRP [NH3+]CCCC[NH2+][C@@H]1CCC[C@H]1CCF ZINC000423315399 387154637 /nfs/dbraw/zinc/15/46/37/387154637.db2.gz AQVPSVVXHZSLET-WDEREUQCSA-N 2 0 202.317 1.843 20 0 BDADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000423322919 387165724 /nfs/dbraw/zinc/16/57/24/387165724.db2.gz HLZGRRMOXCMWSV-RYUDHWBXSA-N 3 0 225.380 1.106 20 0 BDADRP CO[C@H](C)C[N@H+](C)CCC[NH+]1CCCCC1 ZINC000353254565 387166691 /nfs/dbraw/zinc/16/66/91/387166691.db2.gz ODIAPFYFGYYUMS-CYBMUJFWSA-N 2 0 228.380 1.829 20 0 BDADRP [NH3+][C@H](C[NH2+][C@H]1CC[C@@H]1C1CCC1)C1CC1 ZINC000423324480 387167136 /nfs/dbraw/zinc/16/71/36/387167136.db2.gz PMZAEJRCNURQHK-UPJWGTAASA-N 2 0 208.349 1.892 20 0 BDADRP C[C@]1(CN[C@@H]2CCCC[C@@H]2C[NH3+])CCC[NH2+]C1 ZINC000423328388 387169760 /nfs/dbraw/zinc/16/97/60/387169760.db2.gz DNTNQJYBNABPAV-MCIONIFRSA-N 2 0 239.407 1.483 20 0 BDADRP CCCCOCCC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000229341094 387173232 /nfs/dbraw/zinc/17/32/32/387173232.db2.gz JUDBVFMRIZMLKY-STQMWFEESA-N 2 0 228.380 1.910 20 0 BDADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCC1([NH3+])CCC1 ZINC000423331445 387176789 /nfs/dbraw/zinc/17/67/89/387176789.db2.gz OKIORZILUMQIMR-JSGCOSHPSA-N 2 0 247.386 1.416 20 0 BDADRP C[C@@H]([NH2+]CC1C[NH2+]C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423332384 387179449 /nfs/dbraw/zinc/17/94/49/387179449.db2.gz VCBXIIUOLSCEBR-UGFHNGPFSA-N 2 0 230.355 1.988 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)[C@H](C)O1 ZINC000423335769 387183984 /nfs/dbraw/zinc/18/39/84/387183984.db2.gz RYSTYFOXFRLAKA-GRYCIOLGSA-N 2 0 226.364 1.532 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423340977 387190539 /nfs/dbraw/zinc/19/05/39/387190539.db2.gz WELWUZDOTPUPBJ-GHMZBOCLSA-N 2 0 214.353 1.389 20 0 BDADRP CN(CC[C@H]1CCC[N@@H+]1C)CC[NH+](C)C1CC1 ZINC000186792256 387134496 /nfs/dbraw/zinc/13/44/96/387134496.db2.gz VZJMDYHMUYXWHB-CYBMUJFWSA-N 2 0 239.407 1.497 20 0 BDADRP CCCCOCC[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000228986802 387135953 /nfs/dbraw/zinc/13/59/53/387135953.db2.gz ZVCAIADUJZJGST-STQMWFEESA-N 2 0 228.380 1.720 20 0 BDADRP CCC[NH2+]CCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423305449 387139453 /nfs/dbraw/zinc/13/94/53/387139453.db2.gz BWZFSJXUHCZNHO-ZIAGYGMSSA-N 2 0 233.359 1.720 20 0 BDADRP Cc1cncc([C@H](C)[NH2+]C[C@@H](C)C[NH3+])c1 ZINC000423305077 387140584 /nfs/dbraw/zinc/14/05/84/387140584.db2.gz KCABZZTZUMKFFR-QWRGUYRKSA-N 2 0 207.321 1.635 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccncc1 ZINC000423355446 387205146 /nfs/dbraw/zinc/20/51/46/387205146.db2.gz FNGSDTHOAXMGBZ-WCQYABFASA-N 2 0 219.332 1.874 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1cccc(CO)c1 ZINC000423357193 387207885 /nfs/dbraw/zinc/20/78/85/387207885.db2.gz HYPYMYJANVFZNC-IUODEOHRSA-N 2 0 248.370 1.972 20 0 BDADRP CC[N@H+](C)CCNC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000423356532 387208081 /nfs/dbraw/zinc/20/80/81/387208081.db2.gz KDYRZJAABPCNED-LLVKDONJSA-N 2 0 249.358 1.388 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])[C@@H]1CCCC[NH2+]1 ZINC000423427129 387252616 /nfs/dbraw/zinc/25/26/16/387252616.db2.gz IEIXUYWTQBLZTN-XQQFMLRXSA-N 3 0 227.396 1.624 20 0 BDADRP CO[C@@H](C)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000336379561 387209217 /nfs/dbraw/zinc/20/92/17/387209217.db2.gz ULASZLQHLOSEJB-STQMWFEESA-N 2 0 226.364 1.439 20 0 BDADRP C[C@@H](NCC[C@H]1CCC[NH2+]1)[C@@H]1CCCC[NH2+]1 ZINC000423361198 387212069 /nfs/dbraw/zinc/21/20/69/387212069.db2.gz RGKYPJQRTJYUER-UPJWGTAASA-N 2 0 225.380 1.249 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CNCC[C@H]1C ZINC000423360424 387212765 /nfs/dbraw/zinc/21/27/65/387212765.db2.gz LJTLKKLACYHJSP-UTUOFQBUSA-N 2 0 213.369 1.092 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423366941 387217786 /nfs/dbraw/zinc/21/77/86/387217786.db2.gz LXTVPSSKSBTJJR-LOWDOPEQSA-N 3 0 225.380 1.363 20 0 BDADRP [NH3+]CCC[NH2+][C@H]1CCCc2ccccc2C1 ZINC000643496825 387219344 /nfs/dbraw/zinc/21/93/44/387219344.db2.gz YDCYCULFBFZJCQ-AWEZNQCLSA-N 2 0 218.344 1.872 20 0 BDADRP CC[C@H](CCO)[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353528747 387222954 /nfs/dbraw/zinc/22/29/54/387222954.db2.gz HPJSAZKHDRNHMW-SYQHCUMBSA-N 2 0 240.391 1.610 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000423369410 387223506 /nfs/dbraw/zinc/22/35/06/387223506.db2.gz BXZRWJJVZZYZOD-XUXIUFHCSA-N 2 0 240.391 1.922 20 0 BDADRP C(CN1CC[N@@H+]2CCC[C@@H]2C1)C1CC[NH2+]CC1 ZINC000094461256 387223931 /nfs/dbraw/zinc/22/39/31/387223931.db2.gz ZNMXEVCGPFSLSR-CQSZACIVSA-N 2 0 237.391 1.156 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCOC1 ZINC000423369519 387224132 /nfs/dbraw/zinc/22/41/32/387224132.db2.gz DZBKADVMYKGVKA-XQHKEYJVSA-N 2 0 226.364 1.661 20 0 BDADRP Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000423372271 387227606 /nfs/dbraw/zinc/22/76/06/387227606.db2.gz HBHFMPAJESDZPA-WCQGTBRESA-N 2 0 236.363 1.649 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]CC2CC[NH2+]CC2)C1 ZINC000643497331 387237348 /nfs/dbraw/zinc/23/73/48/387237348.db2.gz HWNHAUQOPVMWAN-QWHCGFSZSA-N 2 0 226.364 1.533 20 0 BDADRP COC[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)C1CC1 ZINC000353618534 387243355 /nfs/dbraw/zinc/24/33/55/387243355.db2.gz GESZIGIQUUCOAR-JXQTWKCFSA-N 2 0 240.391 1.874 20 0 BDADRP CC[C@@H]1CC[C@H]1[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000423407863 387243407 /nfs/dbraw/zinc/24/34/07/387243407.db2.gz NMNSQMWXOIJHCK-CHWSQXEVSA-N 2 0 240.391 1.781 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423374351 387253755 /nfs/dbraw/zinc/25/37/55/387253755.db2.gz IHTONSIYTFQQKK-LNFKQOIKSA-N 2 0 200.326 1.269 20 0 BDADRP CC[C@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)[C@H]1C[C@H]1C ZINC000423415826 387248144 /nfs/dbraw/zinc/24/81/44/387248144.db2.gz PMPUPTOYFXXADI-RFGFWPKPSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@H]1CCNC[C@@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423416415 387248194 /nfs/dbraw/zinc/24/81/94/387248194.db2.gz CMTBAWWBWFIRAT-XUXIUFHCSA-N 2 0 239.407 1.339 20 0 BDADRP COC[C@@]1(C[NH2+][C@@H](C)C2(C)CC2)CCC[NH2+]1 ZINC000423416993 387249485 /nfs/dbraw/zinc/24/94/85/387249485.db2.gz GDOQBEMXTIUTRR-AAEUAGOBSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)[C@H]1CCC[NH2+]1 ZINC000423420665 387249883 /nfs/dbraw/zinc/24/98/83/387249883.db2.gz JMRBZCUKFVNRRT-XDQVBPFNSA-N 3 0 239.407 1.482 20 0 BDADRP C1C[C@@H]([C@H]2CCCC[NH2+]2)[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000423422492 387251003 /nfs/dbraw/zinc/25/10/03/387251003.db2.gz CUSWBSBOJLUUNM-JRULLXGZSA-N 2 0 249.402 1.105 20 0 BDADRP COC(C)(C)[C@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000301036935 387252003 /nfs/dbraw/zinc/25/20/03/387252003.db2.gz XLFORZQGCMZMQU-NSHDSACASA-N 2 0 230.396 1.977 20 0 BDADRP CC[C@H](O)CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353396414 387195022 /nfs/dbraw/zinc/19/50/22/387195022.db2.gz SUGCOPBELBJMSX-FQUUOJAGSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)[C@H](C)[NH3+] ZINC000423473765 387319156 /nfs/dbraw/zinc/31/91/56/387319156.db2.gz QVXJDTOPYYFKRQ-VSSNEEPJSA-N 2 0 224.348 1.269 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@@H](COC)C1CCCC1 ZINC000423467755 387314799 /nfs/dbraw/zinc/31/47/99/387314799.db2.gz OBBMOHYGLCGLAO-NEPJUHHUSA-N 2 0 214.353 1.519 20 0 BDADRP COCCC[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000423429322 387254249 /nfs/dbraw/zinc/25/42/49/387254249.db2.gz KEMVOYYBBHFKPI-NWDGAFQWSA-N 2 0 216.369 1.909 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])[C@@H]1CCC[NH2+]1 ZINC000423430522 387264314 /nfs/dbraw/zinc/26/43/14/387264314.db2.gz KZASDHNGOMUQMS-AVGNSLFASA-N 3 0 227.396 1.624 20 0 BDADRP CC[NH2+][C@H](C)CN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000423382984 387266612 /nfs/dbraw/zinc/26/66/12/387266612.db2.gz OYNGGDVOYOWKMR-GRYCIOLGSA-N 2 0 213.369 1.057 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)C12CCC2 ZINC000423385801 387267524 /nfs/dbraw/zinc/26/75/24/387267524.db2.gz RBJMNDYRAIMFSC-FVCCEPFGSA-N 2 0 238.375 1.674 20 0 BDADRP CC[NH2+][C@H](C)CN[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000423385216 387268767 /nfs/dbraw/zinc/26/87/67/387268767.db2.gz QQBNQVDZHPPKJD-WOPDTQHZSA-N 2 0 225.380 1.199 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000423384098 387268952 /nfs/dbraw/zinc/26/89/52/387268952.db2.gz PXDQNEMRPWLHCE-WOPDTQHZSA-N 2 0 214.353 1.389 20 0 BDADRP c1ccc(C[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C2CC2)cc1 ZINC000423433018 387283241 /nfs/dbraw/zinc/28/32/41/387283241.db2.gz MSGDFTJNJMDFMQ-QXSJWSMHSA-N 2 0 242.366 1.815 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H]1NCCc2ccccc21 ZINC000423437303 387288658 /nfs/dbraw/zinc/28/86/58/387288658.db2.gz UHQBDLVSOXNYMW-DOMZBBRYSA-N 2 0 247.386 1.590 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])C12CCC2 ZINC000423440328 387291287 /nfs/dbraw/zinc/29/12/87/387291287.db2.gz IOFJPTPXTOQYQS-WISYIIOYSA-N 2 0 226.364 1.659 20 0 BDADRP CCC1(CC)[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])C[C@H]1OC ZINC000423442801 387291971 /nfs/dbraw/zinc/29/19/71/387291971.db2.gz KBKWNZFNMBBXEF-IRCOFANPSA-N 2 0 228.380 1.905 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccncc1F ZINC000423443381 387292965 /nfs/dbraw/zinc/29/29/65/387292965.db2.gz AIYNCXVPCQCNEV-ZJUUUORDSA-N 2 0 225.311 1.999 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000423443322 387293079 /nfs/dbraw/zinc/29/30/79/387293079.db2.gz WYNSXBLWKGHEFA-ILXRZTDVSA-N 2 0 245.370 1.343 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)C[C@H]1CCOC1 ZINC000643461992 387295553 /nfs/dbraw/zinc/29/55/53/387295553.db2.gz JDTGSRHOVCYKJJ-JHJVBQTASA-N 2 0 228.380 1.909 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)C[C@@H]1CCOC1 ZINC000643461990 387295559 /nfs/dbraw/zinc/29/55/59/387295559.db2.gz JDTGSRHOVCYKJJ-AGIUHOORSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1cccc(CO)c1 ZINC000423444979 387295642 /nfs/dbraw/zinc/29/56/42/387295642.db2.gz BIRNTEASDMLWKP-NWDGAFQWSA-N 2 0 236.359 1.957 20 0 BDADRP C[C@H](C[C@@H]1CCOC1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000643461976 387295884 /nfs/dbraw/zinc/29/58/84/387295884.db2.gz IICODKLRDQKENP-NDBYEHHHSA-N 2 0 226.364 1.532 20 0 BDADRP CC(C)O[C@H]1C[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C1(C)C ZINC000423451893 387299786 /nfs/dbraw/zinc/29/97/86/387299786.db2.gz GZOOMHOFPHMQLD-FPYNETTCSA-N 2 0 238.375 1.386 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1N[C@H]1C[NH2+]CCC1(F)F ZINC000514931723 387308698 /nfs/dbraw/zinc/30/86/98/387308698.db2.gz VXNUGPGBQLNVCL-VWYCJHECSA-N 2 0 247.333 1.233 20 0 BDADRP CC[C@H]([NH2+]CCC[NH2+]C1CC1)[C@H]1CCOC1 ZINC000423528003 387354908 /nfs/dbraw/zinc/35/49/08/387354908.db2.gz NHFYFNZTDGJXCB-AAEUAGOBSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NCCC[NH2+]C1CC1 ZINC000423527390 387356122 /nfs/dbraw/zinc/35/61/22/387356122.db2.gz MGOLYCMTPQGMOS-FZMZJTMJSA-N 2 0 237.391 1.201 20 0 BDADRP C[C@@H]1C[C@@H](NC[C@H]2CCCC[NH2+]2)C[N@@H+]1C1CC1 ZINC000643501583 387356907 /nfs/dbraw/zinc/35/69/07/387356907.db2.gz LLYREGGCYPXKEL-JHJVBQTASA-N 2 0 237.391 1.343 20 0 BDADRP CCN1C[C@@H](C)[C@H]([NH2+]CCC2=CC[NH2+]CC2)C1 ZINC000423535395 387361605 /nfs/dbraw/zinc/36/16/05/387361605.db2.gz CXHNUCIDUASONP-TZMCWYRMSA-N 2 0 237.391 1.226 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@H]1CCCC[NH2+]1 ZINC000643502848 387364405 /nfs/dbraw/zinc/36/44/05/387364405.db2.gz STQDCUOQLIZXRO-XQQFMLRXSA-N 2 0 225.380 1.236 20 0 BDADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)[C@@H]1CCCO1 ZINC000423481805 387364708 /nfs/dbraw/zinc/36/47/08/387364708.db2.gz OODZXTZMVVBCBL-AVGNSLFASA-N 2 0 226.364 1.676 20 0 BDADRP C[C@@H](NC[C@H]1CCCC[NH2+]1)c1c[nH+]ccc1N ZINC000643502531 387365307 /nfs/dbraw/zinc/36/53/07/387365307.db2.gz JKTABLJWEREFFY-GHMZBOCLSA-N 2 0 234.347 1.287 20 0 BDADRP CC[C@H](C)C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000423539798 387365617 /nfs/dbraw/zinc/36/56/17/387365617.db2.gz CAZGEHULCRETRO-IRCOFANPSA-N 2 0 214.353 1.374 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000373430794 387367355 /nfs/dbraw/zinc/36/73/55/387367355.db2.gz ILYKGJVBOSRWDI-CQSZACIVSA-N 2 0 242.407 1.955 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC12CCSCC2 ZINC000423547662 387370604 /nfs/dbraw/zinc/37/06/04/387370604.db2.gz LROFVRLFICQSCO-TUAOUCFPSA-N 2 0 240.416 1.989 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC2=CC[NH2+]CC2)[C@@H]1C ZINC000423546108 387371009 /nfs/dbraw/zinc/37/10/09/387371009.db2.gz YQLPXSCOZGITFH-WZRBSPASSA-N 2 0 208.349 1.930 20 0 BDADRP C[C@@H](NCCC[NH2+]C1CC1)[C@H]1CCCC[NH2+]1 ZINC000423551641 387372760 /nfs/dbraw/zinc/37/27/60/387372760.db2.gz JFMLJTOMVLRDCQ-DGCLKSJQSA-N 2 0 225.380 1.249 20 0 BDADRP C1C[C@H]2C[C@@H](N[C@H]3CCCC[NH2+]C3)CC[N@@H+]2C1 ZINC000423550960 387373685 /nfs/dbraw/zinc/37/36/85/387373685.db2.gz IVTYCPHPDVWZJK-IHRRRGAJSA-N 2 0 237.391 1.345 20 0 BDADRP Cc1cc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc(C)n1 ZINC000423561315 387374412 /nfs/dbraw/zinc/37/44/12/387374412.db2.gz VSFZWIWJQAWKMK-KGLIPLIRSA-N 2 0 233.359 1.915 20 0 BDADRP CC[NH+]1CCC([NH2+]CCC2=CC[NH2+]CC2)CC1 ZINC000423561764 387376937 /nfs/dbraw/zinc/37/69/37/387376937.db2.gz QBSZJBWURCRBMN-UHFFFAOYSA-N 3 0 237.391 1.370 20 0 BDADRP CC[C@H](C)[C@H](C[NH2+][C@H](C)CC[NH+](C)C)OC ZINC000648659529 387379873 /nfs/dbraw/zinc/37/98/73/387379873.db2.gz SRCJTMMARXDSGP-XQQFMLRXSA-N 2 0 230.396 1.977 20 0 BDADRP C[C@@H](N[C@H]1C[NH2+]CCC1(F)F)[C@H]1CCCC[NH2+]1 ZINC000423474862 387321242 /nfs/dbraw/zinc/32/12/42/387321242.db2.gz HTRDWWIACRSSGL-MXWKQRLJSA-N 2 0 247.333 1.104 20 0 BDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423475531 387322547 /nfs/dbraw/zinc/32/25/47/387322547.db2.gz PVKZQZXLUABWRT-XQHKEYJVSA-N 2 0 225.380 1.044 20 0 BDADRP COCC1CCC([NH2+][C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000423482985 387329345 /nfs/dbraw/zinc/32/93/45/387329345.db2.gz XQLQYRIMWAQTMV-QKEWWQLBSA-N 2 0 214.353 1.517 20 0 BDADRP COCC1CCC([NH2+][C@H](C)[C@@H](C)[NH3+])CC1 ZINC000423482986 387329514 /nfs/dbraw/zinc/32/95/14/387329514.db2.gz XQLQYRIMWAQTMV-QYNFOATHSA-N 2 0 214.353 1.517 20 0 BDADRP CCC1CC([NH2+]C[C@H]2C[NH2+]CCCO2)C1 ZINC000423485222 387331347 /nfs/dbraw/zinc/33/13/47/387331347.db2.gz AVAFAIWIQPVQBV-HTAVTVPLSA-N 2 0 212.337 1.143 20 0 BDADRP COC[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)C(C)C ZINC000423488055 387333583 /nfs/dbraw/zinc/33/35/83/387333583.db2.gz DIDHUAVMNOMIFU-UTUOFQBUSA-N 2 0 214.353 1.374 20 0 BDADRP Cn1cc(Cl)c(CN[C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000393332446 387335596 /nfs/dbraw/zinc/33/55/96/387335596.db2.gz SYSQKRXKGDNOTK-SCZZXKLOSA-N 2 0 242.754 1.291 20 0 BDADRP C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423505134 387343135 /nfs/dbraw/zinc/34/31/35/387343135.db2.gz GNVBQIZDHOALBI-UPJWGTAASA-N 2 0 240.391 1.779 20 0 BDADRP COC[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)C1CCCC1 ZINC000423506924 387345006 /nfs/dbraw/zinc/34/50/06/387345006.db2.gz MRAVGSOZRDISIG-XBFCOCLRSA-N 2 0 240.391 1.909 20 0 BDADRP CC[C@@H](C(=O)N1CC[C@H]([NH3+])[C@@H]1C)[NH+](CC)CC ZINC000423981005 387461637 /nfs/dbraw/zinc/46/16/37/387461637.db2.gz UPXBHZLMYCQKFE-SRVKXCTJSA-N 2 0 241.379 1.055 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)CCO1 ZINC000515870081 387439930 /nfs/dbraw/zinc/43/99/30/387439930.db2.gz RBSNISWNQOXALV-WUHRBBMRSA-N 2 0 226.364 1.804 20 0 BDADRP Nc1cccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000336562048 387389140 /nfs/dbraw/zinc/38/91/40/387389140.db2.gz XJYYLGADNWCFJI-OLZOCXBDSA-N 2 0 231.343 1.310 20 0 BDADRP C[C@@H]([NH2+]CC(C)(C)[C@@H]1CCCCO1)C1C[NH2+]C1 ZINC000643466610 387389703 /nfs/dbraw/zinc/38/97/03/387389703.db2.gz HGJVITDEWVOAGB-YPMHNXCESA-N 2 0 240.391 1.779 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C2CCOCC2)C1 ZINC000040622689 387498824 /nfs/dbraw/zinc/49/88/24/387498824.db2.gz GNJURWCLBHNZLO-GFCCVEGCSA-N 2 0 226.364 1.485 20 0 BDADRP CO[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000643475460 387509416 /nfs/dbraw/zinc/50/94/16/387509416.db2.gz UZMNUYFYVLDVTQ-MWWBDVBNSA-N 2 0 238.375 1.817 20 0 BDADRP C[C@H](CN[C@H](C)c1ccncn1)C[NH+]1CCCC1 ZINC000395960180 387517708 /nfs/dbraw/zinc/51/77/08/387517708.db2.gz FQSSBEGHIAWXFV-CHWSQXEVSA-N 2 0 248.374 1.859 20 0 BDADRP COC[C@@H](C)C[NH2+]CC1([NH3+])CCCCCC1 ZINC000516550667 387520009 /nfs/dbraw/zinc/52/00/09/387520009.db2.gz HDSJYYBSVKLCIA-LBPRGKRZSA-N 2 0 228.380 1.910 20 0 BDADRP COC[C@H](C)C[NH2+]CC1([NH3+])CCCCCC1 ZINC000516550657 387521528 /nfs/dbraw/zinc/52/15/28/387521528.db2.gz HDSJYYBSVKLCIA-GFCCVEGCSA-N 2 0 228.380 1.910 20 0 BDADRP C[C@@H]([NH2+]CCNC1CC1)C1CC[NH+](C)CC1 ZINC000643506041 387465985 /nfs/dbraw/zinc/46/59/85/387465985.db2.gz IWHRHUKRWNBGSU-LLVKDONJSA-N 2 0 225.380 1.058 20 0 BDADRP CCc1ccc(C[NH2+]CC2=CC[N@H+](C)CC2)cn1 ZINC000352739323 387466330 /nfs/dbraw/zinc/46/63/30/387466330.db2.gz XTZPYINQRAMOTF-UHFFFAOYSA-N 2 0 245.370 1.996 20 0 BDADRP CC[N@@H+]1CC[C@@H](NCC[NH2+]C2CC2)[C@H](C)C1 ZINC000643506289 387467012 /nfs/dbraw/zinc/46/70/12/387467012.db2.gz QZFWTWMABQTAOI-DGCLKSJQSA-N 2 0 225.380 1.058 20 0 BDADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]CC2(C)COC2)C1 ZINC000352766354 387468609 /nfs/dbraw/zinc/46/86/09/387468609.db2.gz WICHDASYENUEMI-CYBMUJFWSA-N 2 0 240.391 1.733 20 0 BDADRP CC[C@H](C(=O)NC(C)(C)CC[NH3+])[NH+](CC)CC ZINC000424048296 387469908 /nfs/dbraw/zinc/46/99/08/387469908.db2.gz QNSBWXMOQBLIGR-LLVKDONJSA-N 2 0 243.395 1.350 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCC1(CO)CC1 ZINC000395838593 387478050 /nfs/dbraw/zinc/47/80/50/387478050.db2.gz MHIFUFDTMUXGID-NEPJUHHUSA-N 2 0 226.364 1.256 20 0 BDADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCC[NH2+]C1CC1 ZINC000643508208 387482426 /nfs/dbraw/zinc/48/24/26/387482426.db2.gz SZTHLKXPSSMKAW-SWLSCSKDSA-N 2 0 247.386 1.287 20 0 BDADRP CC[C@@H](C)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000304496331 387487677 /nfs/dbraw/zinc/48/76/77/387487677.db2.gz CERHYWJVOMMFPP-OLZOCXBDSA-N 2 0 225.380 1.012 20 0 BDADRP C[C@H](Cc1ccoc1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643473921 387489276 /nfs/dbraw/zinc/48/92/76/387489276.db2.gz QUSSADBSLSUSRZ-DGCLKSJQSA-N 2 0 222.332 1.942 20 0 BDADRP C[C@@H](CN[C@@H](C)C1C[NH2+]C1)C[NH+]1CCCCC1 ZINC000422716673 387628225 /nfs/dbraw/zinc/62/82/25/387628225.db2.gz UYNQRBPDFCYSIN-STQMWFEESA-N 2 0 239.407 1.306 20 0 BDADRP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cccc(C2CC2)c1 ZINC000422555917 387598690 /nfs/dbraw/zinc/59/86/90/387598690.db2.gz RKAMCQQHHCKROX-GJZGRUSLSA-N 2 0 246.354 1.234 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000527532192 387599205 /nfs/dbraw/zinc/59/92/05/387599205.db2.gz JXHJIHMCTAKEMS-GRYCIOLGSA-N 2 0 223.364 1.131 20 0 BDADRP CCCC[C@@H](CN)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000643514292 387599187 /nfs/dbraw/zinc/59/91/87/387599187.db2.gz DGEPXSWBWWOFMT-JSGCOSHPSA-N 2 0 241.423 1.824 20 0 BDADRP Cc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH3+])c(C)n1 ZINC000643514825 387599728 /nfs/dbraw/zinc/59/97/28/387599728.db2.gz MEBZVPDWZPUKSK-ONGXEEELSA-N 2 0 221.348 1.944 20 0 BDADRP Cc1c(Cl)c(C[NH2+][C@H](C)CCC[NH3+])nn1C ZINC000422556316 387600696 /nfs/dbraw/zinc/60/06/96/387600696.db2.gz SRMRAUNOYCCAOU-MRVPVSSYSA-N 2 0 244.770 1.599 20 0 BDADRP C[C@@H]1C[C@H](C)N(CC[NH2+]C(C)(C)C)C[C@@H]1C[NH3+] ZINC000422563874 387601882 /nfs/dbraw/zinc/60/18/82/387601882.db2.gz URHQOKXFRSSOGI-AGIUHOORSA-N 2 0 241.423 1.680 20 0 BDADRP C[C@@H]1C[C@@H](C)N(CC[NH2+]C(C)(C)C)C[C@@H]1C[NH3+] ZINC000422563877 387602784 /nfs/dbraw/zinc/60/27/84/387602784.db2.gz URHQOKXFRSSOGI-UPJWGTAASA-N 2 0 241.423 1.680 20 0 BDADRP CCOC(=O)CC[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422638736 387610916 /nfs/dbraw/zinc/61/09/16/387610916.db2.gz RHAQRPIDVSTSQP-TUAOUCFPSA-N 2 0 242.363 1.245 20 0 BDADRP CC[N@@H+]1CC[C@@H](CN[C@H](C)c2c[nH+]ccc2N)C1 ZINC000422689966 387613452 /nfs/dbraw/zinc/61/34/52/387613452.db2.gz FXYAAHOYWNKHGE-NEPJUHHUSA-N 2 0 248.374 1.487 20 0 BDADRP CC[C@H](NC[C@H]1CC[N@H+](CC)C1)[C@@H]1CCC[NH2+]1 ZINC000422695386 387613836 /nfs/dbraw/zinc/61/38/36/387613836.db2.gz PUDCUKLMWQUWEI-RDBSUJKOSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H](O)CC[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000305651443 387623365 /nfs/dbraw/zinc/62/33/65/387623365.db2.gz CDFYVSCOOLYWIO-NEPJUHHUSA-N 2 0 214.353 1.173 20 0 BDADRP CCCC[N@H+](C)CCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422708543 387623413 /nfs/dbraw/zinc/62/34/13/387623413.db2.gz JBRPMMDMTHMPFX-UONOGXRCSA-N 2 0 241.423 1.968 20 0 BDADRP CCCC[N@H+](C)CCN[C@H]1CCC[C@@H]1[NH3+] ZINC000422708263 387623722 /nfs/dbraw/zinc/62/37/22/387623722.db2.gz ISTVTSITBPASTD-RYUDHWBXSA-N 2 0 213.369 1.188 20 0 BDADRP C[C@@H](CCc1ccco1)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000643516432 387623966 /nfs/dbraw/zinc/62/39/66/387623966.db2.gz CPBIAUGMYNHOJK-GWCFXTLKSA-N 2 0 222.332 1.928 20 0 BDADRP C[C@H](O)C1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000305661117 387624484 /nfs/dbraw/zinc/62/44/84/387624484.db2.gz XYTBPAGTCRULQY-GXTWGEPZSA-N 2 0 240.391 1.564 20 0 BDADRP CCCC[N@H+](C)CCN[C@@H](C)C[C@H](C)[NH3+] ZINC000422712485 387626202 /nfs/dbraw/zinc/62/62/02/387626202.db2.gz OHIRKFQXEDKTNB-RYUDHWBXSA-N 2 0 215.385 1.434 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]Cc1cccc(N(C)C)c1 ZINC000422711844 387626355 /nfs/dbraw/zinc/62/63/55/387626355.db2.gz HMPMEDLNFSAMLX-GFCCVEGCSA-N 2 0 235.375 1.970 20 0 BDADRP C[C@H]([NH2+]C[C@]1(C)CCOC1)[C@@H]1CCCC[NH2+]1 ZINC000397181236 387550496 /nfs/dbraw/zinc/55/04/96/387550496.db2.gz JBUORPYCKOUSRI-AVGNSLFASA-N 2 0 226.364 1.533 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000305119121 387555838 /nfs/dbraw/zinc/55/58/38/387555838.db2.gz JAVFHMGPNPNBGJ-RYMFRWLXSA-N 2 0 242.407 1.712 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000305111660 387556125 /nfs/dbraw/zinc/55/61/25/387556125.db2.gz GEBJVDUWZLMOLK-IGQOVBAYSA-N 2 0 242.407 1.713 20 0 BDADRP Cc1ncsc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422742188 387633147 /nfs/dbraw/zinc/63/31/47/387633147.db2.gz PPGMZJSKCKXGOQ-SFYZADRCSA-N 2 0 213.350 1.667 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CCOC1 ZINC000422725347 387635427 /nfs/dbraw/zinc/63/54/27/387635427.db2.gz BDZANZRDQDIFEY-YNEHKIRRSA-N 2 0 226.364 1.663 20 0 BDADRP CC[C@@H]1CCCCN1CC[NH2+][C@@H](C)CCC[NH3+] ZINC000422727588 387635597 /nfs/dbraw/zinc/63/55/97/387635597.db2.gz HNAFLEQPNKEFQT-UONOGXRCSA-N 2 0 241.423 1.968 20 0 BDADRP C[C@H]([NH3+])CCC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000430635481 387636047 /nfs/dbraw/zinc/63/60/47/387636047.db2.gz VOLFKJZMQDISHY-WDEREUQCSA-N 2 0 241.379 1.008 20 0 BDADRP CCOC(=O)C1([C@H](C)[NH2+]C2CC2)CC[NH2+]CC1 ZINC000422730921 387637799 /nfs/dbraw/zinc/63/77/99/387637799.db2.gz MVNBXMWDAUEWRG-JTQLQIEISA-N 2 0 240.347 1.060 20 0 BDADRP CC[C@@H]([NH2+]CCC1CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000422734763 387642576 /nfs/dbraw/zinc/64/25/76/387642576.db2.gz TZDFVYZHTYLENV-KGLIPLIRSA-N 2 0 240.391 1.923 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000422736239 387642830 /nfs/dbraw/zinc/64/28/30/387642830.db2.gz FZZJUDFXOWLTGS-SOUVJXGZSA-N 2 0 248.370 1.307 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1ccccn1 ZINC000422736946 387646178 /nfs/dbraw/zinc/64/61/78/387646178.db2.gz YWRRYOJZUPTEPW-GXTWGEPZSA-N 2 0 233.359 1.602 20 0 BDADRP CC[NH+](CC)CCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000422744863 387647972 /nfs/dbraw/zinc/64/79/72/387647972.db2.gz KYLVGYQWAXSRGO-OLZOCXBDSA-N 2 0 227.396 1.578 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1NCC[N@H+](C)C1CCCC1 ZINC000422745037 387649201 /nfs/dbraw/zinc/64/92/01/387649201.db2.gz ULNHMXKGGOQHQF-OCCSQVGLSA-N 2 0 239.407 1.448 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccnc(C)c2)C1 ZINC000527642064 387650305 /nfs/dbraw/zinc/65/03/05/387650305.db2.gz XEKSHERBFFIFDZ-CQSZACIVSA-N 2 0 233.359 1.821 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccc(CO)c1 ZINC000422747806 387651225 /nfs/dbraw/zinc/65/12/25/387651225.db2.gz ZLPLMWVSFKFEHA-IUODEOHRSA-N 2 0 248.370 1.657 20 0 BDADRP Cc1cc(CC[NH2+][C@H]2CCCCC[C@@H]2[NH3+])on1 ZINC000643489123 387653140 /nfs/dbraw/zinc/65/31/40/387653140.db2.gz XPUXEWCWOMMNHQ-STQMWFEESA-N 2 0 237.347 1.775 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCOc1ccccc1 ZINC000422750166 387655033 /nfs/dbraw/zinc/65/50/33/387655033.db2.gz CHYNOLWQAVYKMQ-RYUDHWBXSA-N 2 0 222.332 1.781 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCn1ccnc1 ZINC000422757799 387661040 /nfs/dbraw/zinc/66/10/40/387661040.db2.gz MYPRTUPMORXVRX-RYUDHWBXSA-N 2 0 222.336 1.133 20 0 BDADRP COCCCCC[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000430928837 387663773 /nfs/dbraw/zinc/66/37/73/387663773.db2.gz VMDAJHLCPSYLNF-GFCCVEGCSA-N 2 0 228.380 1.862 20 0 BDADRP CC(C)[C@H](C)C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000422760684 387664137 /nfs/dbraw/zinc/66/41/37/387664137.db2.gz GYVKNACAFRDWLL-FDYHWXHSSA-N 2 0 228.380 1.620 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000422765517 387665693 /nfs/dbraw/zinc/66/56/93/387665693.db2.gz WJAGNYYNFOFBRB-MJBXVCDLSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H](NCCC[N@@H+]1CCCC[C@H]1C)C1C[NH2+]C1 ZINC000422765784 387666292 /nfs/dbraw/zinc/66/62/92/387666292.db2.gz LFHBSHLBOKYEJU-OLZOCXBDSA-N 2 0 239.407 1.448 20 0 BDADRP CC(C)OCCC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422773242 387671436 /nfs/dbraw/zinc/67/14/36/387671436.db2.gz ZNFFDQKSURHMMS-QWHCGFSZSA-N 2 0 228.380 1.779 20 0 BDADRP CC[C@@H]([NH2+]CCCC[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000422775988 387673043 /nfs/dbraw/zinc/67/30/43/387673043.db2.gz CUDGHMRMVAZTCT-OLZOCXBDSA-N 3 0 227.396 1.448 20 0 BDADRP C[C@@H]([NH3+])CCNC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000422776578 387676085 /nfs/dbraw/zinc/67/60/85/387676085.db2.gz DADGQRHUHCIBCB-PWSUYJOCSA-N 2 0 241.379 1.138 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000422780238 387676885 /nfs/dbraw/zinc/67/68/85/387676885.db2.gz JFHOHHWVJGYWCT-MJBXVCDLSA-N 2 0 241.423 1.822 20 0 BDADRP C[C@H]1C[C@@H](N[C@H]2CC[NH2+]CC[C@H]2C)CC[N@@H+]1C ZINC000422778626 387678441 /nfs/dbraw/zinc/67/84/41/387678441.db2.gz HMDNJIJWQIBBRE-RFGFWPKPSA-N 2 0 239.407 1.447 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2[NH3+])C12CCC2 ZINC000422782856 387680277 /nfs/dbraw/zinc/68/02/77/387680277.db2.gz NLNMAKKDKXKYQW-MROQNXINSA-N 2 0 238.375 1.804 20 0 BDADRP COC[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000126363728 387680667 /nfs/dbraw/zinc/68/06/67/387680667.db2.gz CZBKVARVXZXKDF-RISCZKNCSA-N 2 0 238.375 1.485 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000422783239 387683369 /nfs/dbraw/zinc/68/33/69/387683369.db2.gz NWSCSZMDDAZADP-YYHQMBLXSA-N 2 0 240.391 1.905 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1NCCC[NH+]1CCCC1 ZINC000422784484 387683399 /nfs/dbraw/zinc/68/33/99/387683399.db2.gz MGPIYRUXNSRSPA-ZIAGYGMSSA-N 2 0 239.407 1.722 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2CCCCC[C@H]2[NH3+])CC[N@@H+]1C ZINC000422784072 387684422 /nfs/dbraw/zinc/68/44/22/387684422.db2.gz PFYHGSQHOQRGNX-AAVRWANBSA-N 2 0 239.407 1.719 20 0 BDADRP CC(C)CCOCC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422786822 387686564 /nfs/dbraw/zinc/68/65/64/387686564.db2.gz SYMOKIQIKZLDAU-NEPJUHHUSA-N 2 0 216.369 1.765 20 0 BDADRP C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422786118 387686725 /nfs/dbraw/zinc/68/67/25/387686725.db2.gz SBCMXWLZTMSTBV-ZDEQEGDKSA-N 2 0 225.380 1.199 20 0 BDADRP CC(C)[N@@H+]1CCC[C@H](CN[C@H](C)C[C@H](C)[NH3+])C1 ZINC000422743796 387690657 /nfs/dbraw/zinc/69/06/57/387690657.db2.gz RWTOWDRIBUDBGW-BFHYXJOUSA-N 2 0 241.423 1.822 20 0 BDADRP C[C@H](CN[C@@H]1CCCCC[C@H]1[NH3+])[N@H+](C)C1CC1 ZINC000422743905 387691100 /nfs/dbraw/zinc/69/11/00/387691100.db2.gz SDDZISNOVSUJHI-MRVWCRGKSA-N 2 0 239.407 1.719 20 0 BDADRP COCC[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422861001 387742922 /nfs/dbraw/zinc/74/29/22/387742922.db2.gz NMUPEBJRPDIANY-VWYCJHECSA-N 2 0 200.326 1.142 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000422861528 387744969 /nfs/dbraw/zinc/74/49/69/387744969.db2.gz OIYBONWSBPBFDO-MRVWCRGKSA-N 2 0 237.391 1.473 20 0 BDADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1CCCOC1 ZINC000422862225 387745359 /nfs/dbraw/zinc/74/53/59/387745359.db2.gz PKHOMEYAYULFLO-CFVMTHIKSA-N 2 0 248.370 1.714 20 0 BDADRP Cc1ccc(OCCC[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000422865071 387747757 /nfs/dbraw/zinc/74/77/57/387747757.db2.gz XAZDVQYHQBXRKC-ZDUSSCGKSA-N 2 0 248.370 1.961 20 0 BDADRP C[C@H](C[C@H]1CCCO1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000422899161 387749244 /nfs/dbraw/zinc/74/92/44/387749244.db2.gz GVSNLMOBLCZDRF-FRRDWIJNSA-N 2 0 226.364 1.676 20 0 BDADRP C[C@H]([NH3+])C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000643526185 387750252 /nfs/dbraw/zinc/75/02/52/387750252.db2.gz SERSRVNBLGIYGY-GXFFZTMASA-N 2 0 204.317 1.481 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCCS1)[C@H]1CCC[NH2+]1 ZINC000422874965 387751678 /nfs/dbraw/zinc/75/16/78/387751678.db2.gz OIEKDRBIQFEPNX-OUAUKWLOSA-N 2 0 214.378 1.612 20 0 BDADRP CC[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422792819 387697249 /nfs/dbraw/zinc/69/72/49/387697249.db2.gz ZMXSERPYVLNFRL-RFGFWPKPSA-N 2 0 239.407 1.589 20 0 BDADRP CC(C)C[C@H](CCO)C[NH2+][C@@H](C)CCC[NH3+] ZINC000422800749 387699521 /nfs/dbraw/zinc/69/95/21/387699521.db2.gz AFFHSDUUCAOTGH-STQMWFEESA-N 2 0 230.396 1.748 20 0 BDADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1n1cccn1)C1C[NH2+]C1 ZINC000422805108 387702015 /nfs/dbraw/zinc/70/20/15/387702015.db2.gz GGMNNLXWUVJLDL-UBHSHLNASA-N 2 0 248.374 1.564 20 0 BDADRP CO[C@H](C[NH2+][C@H](C)C1C[NH2+]C1)C(C)(C)C ZINC000422806312 387706147 /nfs/dbraw/zinc/70/61/47/387706147.db2.gz HXZHHNAMTWPABU-MWLCHTKSSA-N 2 0 214.353 1.245 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])C(C)(C)C ZINC000422809356 387708444 /nfs/dbraw/zinc/70/84/44/387708444.db2.gz MCHPEJRABPPMAC-GRYCIOLGSA-N 2 0 228.380 1.765 20 0 BDADRP CN(CC[NH2+][C@@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000422813042 387710555 /nfs/dbraw/zinc/71/05/55/387710555.db2.gz RIDJAUJUSKQOLP-UONOGXRCSA-N 2 0 233.359 1.592 20 0 BDADRP CC(C)C[C@H](CCO)C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422813624 387712470 /nfs/dbraw/zinc/71/24/70/387712470.db2.gz YHCPUBMYVBPSNS-AVGNSLFASA-N 2 0 230.396 1.747 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCc1cn2ccccc2n1 ZINC000422816489 387713768 /nfs/dbraw/zinc/71/37/68/387713768.db2.gz FLKQPFTUKVKAEQ-CHWSQXEVSA-N 2 0 244.342 1.346 20 0 BDADRP C([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C12CC(C1)CO2 ZINC000527790428 387715046 /nfs/dbraw/zinc/71/50/46/387715046.db2.gz OGEZLYQZONGGLN-DKNRTOFZSA-N 2 0 236.359 1.382 20 0 BDADRP COC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422822395 387717728 /nfs/dbraw/zinc/71/77/28/387717728.db2.gz JVPMSIUFZPJEQE-SWLSCSKDSA-N 2 0 248.370 1.442 20 0 BDADRP CC[NH+](CC)CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127703014 387722214 /nfs/dbraw/zinc/72/22/14/387722214.db2.gz ADOQIVYVOHPQBD-UONOGXRCSA-N 2 0 239.407 1.545 20 0 BDADRP C[C@H](C[NH2+][C@H](C)C(C)(C)C)N1CC[NH+](C)CC1 ZINC000127703897 387723558 /nfs/dbraw/zinc/72/35/58/387723558.db2.gz IRPIFGKJPJVTAC-CHWSQXEVSA-N 2 0 241.423 1.647 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000422832850 387725571 /nfs/dbraw/zinc/72/55/71/387725571.db2.gz GHOGTYFOHSXTLS-MGPQQGTHSA-N 3 0 241.423 1.966 20 0 BDADRP C[NH2+]C[C@@H](C)CNC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000422832046 387726585 /nfs/dbraw/zinc/72/65/85/387726585.db2.gz UIVIGMHZXONVMQ-MNOVXSKESA-N 2 0 249.358 1.292 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)Cc1ccncc1 ZINC000422832820 387726677 /nfs/dbraw/zinc/72/66/77/387726677.db2.gz GDSSAGYDJFEBHU-SRVKXCTJSA-N 2 0 221.348 1.728 20 0 BDADRP C[C@H](C[NH2+][C@H](C)C1(C)CC1)N1CC[NH+](C)CC1 ZINC000127705318 387726776 /nfs/dbraw/zinc/72/67/76/387726776.db2.gz VKUQZGYREDZXKX-CHWSQXEVSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)C1C[NH2+]C1 ZINC000422839181 387727672 /nfs/dbraw/zinc/72/76/72/387727672.db2.gz PTZGXFFVCPSOSJ-UHTWSYAYSA-N 2 0 225.380 1.057 20 0 BDADRP Cn1cc(C[NH2+]CCCC[NH3+])c(C(C)(C)C)n1 ZINC000127873105 387728351 /nfs/dbraw/zinc/72/83/51/387728351.db2.gz GLTGEIVVCNOVDC-UHFFFAOYSA-N 2 0 238.379 1.546 20 0 BDADRP COC1CCC(C[NH2+][C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000422837319 387728504 /nfs/dbraw/zinc/72/85/04/387728504.db2.gz LXKXYXHTOLACMG-FIYWTHMPSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@@H](C[NH+]1CCCCC1)N[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422836697 387729610 /nfs/dbraw/zinc/72/96/10/387729610.db2.gz RSVWBQZQMZQGIB-MELADBBJSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H]([NH2+]CCc1cc(F)cc(F)c1)C1C[NH2+]C1 ZINC000422841243 387731217 /nfs/dbraw/zinc/73/12/17/387731217.db2.gz CSKFCVFODKMTQN-SECBINFHSA-N 2 0 240.297 1.705 20 0 BDADRP CCN(CC[NH2+]C1CCC(C[NH3+])CC1)C(C)C ZINC000422879557 387755779 /nfs/dbraw/zinc/75/57/79/387755779.db2.gz MNMJGZGMWIGVRG-UHFFFAOYSA-N 2 0 241.423 1.824 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H]2CCC[NH2+]2)cc1 ZINC000422789792 387732024 /nfs/dbraw/zinc/73/20/24/387732024.db2.gz SMNRABHWHNRBSP-ZWNOBZJWSA-N 2 0 247.342 1.188 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCc1cc(F)cc(F)c1 ZINC000422844256 387732256 /nfs/dbraw/zinc/73/22/56/387732256.db2.gz LIGWSAUVRFLXAL-QWHCGFSZSA-N 2 0 240.297 1.977 20 0 BDADRP CC(C)([NH3+])CNC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000422878992 387755823 /nfs/dbraw/zinc/75/58/23/387755823.db2.gz JWIQRGCPNZSAGD-LLVKDONJSA-N 2 0 241.379 1.138 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000422850299 387734926 /nfs/dbraw/zinc/73/49/26/387734926.db2.gz CVUFHLCWFHOKLO-UPJWGTAASA-N 2 0 239.407 1.719 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000527813881 387735527 /nfs/dbraw/zinc/73/55/27/387735527.db2.gz ZLYPBMGDQFPSSP-UBHSHLNASA-N 2 0 238.375 1.770 20 0 BDADRP CC[C@@H](CCO)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422849734 387735765 /nfs/dbraw/zinc/73/57/65/387735765.db2.gz CLICCKGNOVGJJG-GRYCIOLGSA-N 2 0 214.353 1.125 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H](C)N1CCC[C@@H](C)C1 ZINC000422855766 387736839 /nfs/dbraw/zinc/73/68/39/387736839.db2.gz FCWKSFFXUFLEFR-RDBSUJKOSA-N 2 0 241.423 1.824 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2CCC[NH2+]CC2)C[N@@H+]1C1CC1 ZINC000422851722 387738221 /nfs/dbraw/zinc/73/82/21/387738221.db2.gz FVBVFBWYTGCGIB-AGIUHOORSA-N 2 0 237.391 1.343 20 0 BDADRP CCN(CC[NH2+][C@H](C)[C@@H]1CCCOC1)C1CC1 ZINC000356898121 387741965 /nfs/dbraw/zinc/74/19/65/387741965.db2.gz MRXGKFQJJIYGFC-CHWSQXEVSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1nc(CC[NH2+][C@@H]2CCC[C@@H]2[NH3+])sc1C ZINC000422890761 387763365 /nfs/dbraw/zinc/76/33/65/387763365.db2.gz JDNSXOYJGHPDFT-WDEREUQCSA-N 2 0 239.388 1.772 20 0 BDADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCOC1 ZINC000422895351 387766535 /nfs/dbraw/zinc/76/65/35/387766535.db2.gz FQQIDVIDLSQJHU-QEJZJMRPSA-N 2 0 248.370 1.571 20 0 BDADRP C[C@H]([NH3+])C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000643528431 387768759 /nfs/dbraw/zinc/76/87/59/387768759.db2.gz JAULGFNTROVHSZ-SMDDNHRTSA-N 2 0 218.344 1.945 20 0 BDADRP C[C@H]([NH2+]CCCc1cnn(C)c1)[C@H]1CCC[NH2+]1 ZINC000422911491 387770823 /nfs/dbraw/zinc/77/08/23/387770823.db2.gz TVTJZVAIOXEQAW-WCQYABFASA-N 2 0 236.363 1.083 20 0 BDADRP CC[C@@H](C)[N@H+](C)CCN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422912324 387770881 /nfs/dbraw/zinc/77/08/81/387770881.db2.gz VZVBGVPFLFMIPN-RDBSUJKOSA-N 2 0 241.423 1.837 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422912039 387771008 /nfs/dbraw/zinc/77/10/08/387771008.db2.gz VABUOIXBAKLJSJ-MELADBBJSA-N 2 0 241.423 1.966 20 0 BDADRP CN(C)c1ccccc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000422914884 387771062 /nfs/dbraw/zinc/77/10/62/387771062.db2.gz WJEUXSUXJTZMJJ-OCCSQVGLSA-N 2 0 247.386 1.970 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCSC1 ZINC000422920230 387775396 /nfs/dbraw/zinc/77/53/96/387775396.db2.gz LZCYFABOSPRDJU-MXWKQRLJSA-N 2 0 214.378 1.470 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+][C@H](C)CCCCO ZINC000643529753 387776327 /nfs/dbraw/zinc/77/63/27/387776327.db2.gz BFJPJZRIACVNIL-GHMZBOCLSA-N 2 0 202.342 1.125 20 0 BDADRP C[C@H]([NH3+])CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000643529912 387776525 /nfs/dbraw/zinc/77/65/25/387776525.db2.gz WBBGUIQOXOPQKN-XXILOJSOSA-N 2 0 205.305 1.068 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000643530006 387780771 /nfs/dbraw/zinc/78/07/71/387780771.db2.gz WRMOCQCJTSDZHK-UTUOFQBUSA-N 2 0 214.353 1.532 20 0 BDADRP CS[C@@H](C)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422933550 387782168 /nfs/dbraw/zinc/78/21/68/387782168.db2.gz IAPNBUVTRIKJGZ-LPEHRKFASA-N 2 0 202.367 1.468 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)C[C@H]1CCCO1 ZINC000422900939 387784842 /nfs/dbraw/zinc/78/48/42/387784842.db2.gz KJUYHTWXNQQSSY-FIQHERPVSA-N 2 0 214.353 1.659 20 0 BDADRP CC[N@H+](C)CCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132089776 387787140 /nfs/dbraw/zinc/78/71/40/387787140.db2.gz WWZYGKBGEIAKAZ-KBPBESRZSA-N 2 0 233.359 1.673 20 0 BDADRP CCOCC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422902359 387787439 /nfs/dbraw/zinc/78/74/39/387787439.db2.gz ULGTUURAWMIYOA-WDEREUQCSA-N 2 0 200.326 1.273 20 0 BDADRP C[C@@H](NC[C@@H]1CCC[N@@H+]1C)[C@@H]1CCCC[NH2+]1 ZINC000422901523 387787508 /nfs/dbraw/zinc/78/75/08/387787508.db2.gz LFZCXGQSDWFIDM-AGIUHOORSA-N 2 0 225.380 1.201 20 0 BDADRP CCC[NH+]1CCC([NH2+]CCC2CC(O)C2)CC1 ZINC000432413489 387788354 /nfs/dbraw/zinc/78/83/54/387788354.db2.gz GVIWKPJUUICFHE-UHFFFAOYSA-N 2 0 240.391 1.611 20 0 BDADRP CCC[N@@H+]1CC[C@H](CN[C@H](C)C[C@@H](C)[NH3+])C1 ZINC000422977960 387788650 /nfs/dbraw/zinc/78/86/50/387788650.db2.gz YCSPWTSFLOUIPL-JHJVBQTASA-N 2 0 227.396 1.434 20 0 BDADRP CC(C)CC[C@](C)(O)C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422977045 387789845 /nfs/dbraw/zinc/78/98/45/387789845.db2.gz JHJBSSPRLJYKCN-YPMHNXCESA-N 2 0 228.380 1.371 20 0 BDADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CCCC[NH3+])C1 ZINC000422977708 387790026 /nfs/dbraw/zinc/79/00/26/387790026.db2.gz XJIWVLMPDUTPRE-KGLIPLIRSA-N 3 0 241.423 1.825 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCSCCCO ZINC000422981246 387791534 /nfs/dbraw/zinc/79/15/34/387791534.db2.gz SJNBOTRAXCGDLB-RYUDHWBXSA-N 2 0 246.420 1.080 20 0 BDADRP CC(C)[C@@](C)(O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422982577 387793302 /nfs/dbraw/zinc/79/33/02/387793302.db2.gz WYVABTCBTSRCBW-HNGCFSAESA-N 2 0 226.364 1.266 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCCOC2)CC[N@@H+]1C ZINC000527929304 387794350 /nfs/dbraw/zinc/79/43/50/387794350.db2.gz PKMASZMFVRPQQS-RDBSUJKOSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCCOC2)CC[N@@H+]1C ZINC000527929302 387794373 /nfs/dbraw/zinc/79/43/73/387794373.db2.gz PKMASZMFVRPQQS-MGPQQGTHSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1ccsc1[C@H](CO)[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422988062 387797195 /nfs/dbraw/zinc/79/71/95/387797195.db2.gz HZZJEGRBTZXNHF-MXWKQRLJSA-N 2 0 242.388 1.805 20 0 BDADRP COc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cn1 ZINC000422964041 387813146 /nfs/dbraw/zinc/81/31/46/387813146.db2.gz KHQZDZCLZYZCTM-DGCLKSJQSA-N 2 0 249.358 1.568 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H](CO)c1ccccc1 ZINC000422990081 387800399 /nfs/dbraw/zinc/80/03/99/387800399.db2.gz BMLJZXDLNDJQGA-OBJOEFQTSA-N 2 0 236.359 1.478 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC12CC(C1)CO2 ZINC000527982542 387800476 /nfs/dbraw/zinc/80/04/76/387800476.db2.gz SVJDTKARMJNEAC-LRUBOHGLSA-N 2 0 238.375 1.484 20 0 BDADRP COCCC1(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000422992077 387800456 /nfs/dbraw/zinc/80/04/56/387800456.db2.gz QQONRAFHMUEMQC-OLZOCXBDSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCOc1ncccc1F ZINC000422992978 387800732 /nfs/dbraw/zinc/80/07/32/387800732.db2.gz DQWARZQNWQHSEY-UWVGGRQHSA-N 2 0 241.310 1.315 20 0 BDADRP CSCC[C@@H](CO)[NH2+][C@H](C)CCCC[NH3+] ZINC000422990306 387801063 /nfs/dbraw/zinc/80/10/63/387801063.db2.gz NHVPONOZOOVFAA-MNOVXSKESA-N 2 0 234.409 1.208 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCc2ccccc2C1)C1C[NH2+]C1 ZINC000643477989 387801356 /nfs/dbraw/zinc/80/13/56/387801356.db2.gz MLBORIVJNGEIEH-OLZOCXBDSA-N 2 0 244.382 1.989 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](CO)c1cccc(F)c1 ZINC000422995965 387802810 /nfs/dbraw/zinc/80/28/10/387802810.db2.gz RYAFQTQTWLPANZ-CWSCBRNRSA-N 2 0 240.322 1.575 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CCN(c2ccccn2)C1 ZINC000422963910 387813322 /nfs/dbraw/zinc/81/33/22/387813322.db2.gz HGAXUTAZLNPZHX-XQQFMLRXSA-N 2 0 248.374 1.376 20 0 BDADRP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)[C@@H](O)Cc1ccccc1 ZINC000423001403 387805592 /nfs/dbraw/zinc/80/55/92/387805592.db2.gz WXGQZVBIGWBRPP-HUBLWGQQSA-N 2 0 248.370 1.176 20 0 BDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000528005350 387805729 /nfs/dbraw/zinc/80/57/29/387805729.db2.gz SPRVEJZNTDGGJW-NLMKBYRWSA-N 2 0 226.364 1.338 20 0 BDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000528005354 387806157 /nfs/dbraw/zinc/80/61/57/387806157.db2.gz SPRVEJZNTDGGJW-XARVFOJUSA-N 2 0 226.364 1.338 20 0 BDADRP COc1cccc(C[C@@H](C)[NH2+][C@H](C)C2C[NH2+]C2)c1 ZINC000422952230 387806605 /nfs/dbraw/zinc/80/66/05/387806605.db2.gz AMKXEKHINKBETA-VXGBXAGGSA-N 2 0 248.370 1.824 20 0 BDADRP C[C@H](COCC(F)(F)F)[NH2+][C@@H](C)CCC[NH3+] ZINC000422949758 387807229 /nfs/dbraw/zinc/80/72/29/387807229.db2.gz WGKPGVIBIPVWDJ-DTWKUNHWSA-N 2 0 242.285 1.671 20 0 BDADRP CCN(CC)C(=O)CCC[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422954871 387809315 /nfs/dbraw/zinc/80/93/15/387809315.db2.gz IIIQXQVPTLQZHI-VXGBXAGGSA-N 2 0 243.395 1.350 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C)C(=O)N1CCCCC1 ZINC000422957304 387809425 /nfs/dbraw/zinc/80/94/25/387809425.db2.gz NDTWFRSYXLHWHS-TUAOUCFPSA-N 2 0 241.379 1.103 20 0 BDADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422882299 387758196 /nfs/dbraw/zinc/75/81/96/387758196.db2.gz ZWPKZVNPPSAFJH-NWGXIFETSA-N 2 0 249.402 1.342 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)[NH3+])C1(CC)CC ZINC000643526636 387758901 /nfs/dbraw/zinc/75/89/01/387758901.db2.gz CQVIHYBTMKDOHI-QJPTWQEYSA-N 2 0 228.380 1.907 20 0 BDADRP COCCC1(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)CCC1 ZINC000422886862 387759800 /nfs/dbraw/zinc/75/98/00/387759800.db2.gz JUPXUBSBDGGJNW-STQMWFEESA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H]([NH3+])CN[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000643527049 387761183 /nfs/dbraw/zinc/76/11/83/387761183.db2.gz CGFGHOLDIPYJPE-KCQAQPDRSA-N 2 0 247.386 1.586 20 0 BDADRP CCC[N@@H+]1CC[C@H](CN[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422974472 387823273 /nfs/dbraw/zinc/82/32/73/387823273.db2.gz RCEZBMWNDJREJI-MCIONIFRSA-N 2 0 239.407 1.435 20 0 BDADRP C[C@@H]([NH2+]C[C@H](C)Oc1ccccc1)C1C[NH2+]C1 ZINC000422975215 387823344 /nfs/dbraw/zinc/82/33/44/387823344.db2.gz BKAGITYMTCAHBK-NWDGAFQWSA-N 2 0 234.343 1.651 20 0 BDADRP CC[C@@H](CCO)[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422973568 387823366 /nfs/dbraw/zinc/82/33/66/387823366.db2.gz CCKSKDULOSXXIC-SDDRHHMPSA-N 2 0 214.353 1.268 20 0 BDADRP CCC(O)(CC)C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422973658 387823509 /nfs/dbraw/zinc/82/35/09/387823509.db2.gz PFAWALWHMUAVDR-VHSXEESVSA-N 2 0 200.326 1.007 20 0 BDADRP CC[C@H]([NH2+]C[C@](C)(O)CC)[C@@H]1CCC[NH2+]1 ZINC000422974939 387823526 /nfs/dbraw/zinc/82/35/26/387823526.db2.gz FSKKWQGAVUYYQP-SDDRHHMPSA-N 2 0 214.353 1.268 20 0 BDADRP CCC(O)(CC)C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422973656 387824449 /nfs/dbraw/zinc/82/44/49/387824449.db2.gz PFAWALWHMUAVDR-NXEZZACHSA-N 2 0 200.326 1.007 20 0 BDADRP COC[C@@H](C)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567110352 387824767 /nfs/dbraw/zinc/82/47/67/387824767.db2.gz AEODSVSDQFAYOH-STQMWFEESA-N 2 0 226.364 1.344 20 0 BDADRP COC[C@H](C)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567110350 387825085 /nfs/dbraw/zinc/82/50/85/387825085.db2.gz AEODSVSDQFAYOH-OLZOCXBDSA-N 2 0 226.364 1.344 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCc2cn(C)cn2)CC[N@@H+]1C ZINC000313313858 387828558 /nfs/dbraw/zinc/82/85/58/387828558.db2.gz ZSGGOFHFLBSNCA-NEPJUHHUSA-N 2 0 236.363 1.035 20 0 BDADRP CC[C@@H]([NH2+]C[C@H](C)CCO)[C@@H]1CCC[NH2+]1 ZINC000423007130 387829311 /nfs/dbraw/zinc/82/93/11/387829311.db2.gz PWHZFMHQEOVSKP-UTUOFQBUSA-N 2 0 214.353 1.125 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CCc1c[nH]c2ncccc12 ZINC000423008063 387830917 /nfs/dbraw/zinc/83/09/17/387830917.db2.gz ZFKWQOKQISQMKY-LLVKDONJSA-N 2 0 246.358 1.822 20 0 BDADRP CC(C)CSCC[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000423009106 387831573 /nfs/dbraw/zinc/83/15/73/387831573.db2.gz CEUZBCLYSTXSCN-QWRGUYRKSA-N 2 0 216.394 1.845 20 0 BDADRP Cc1cncc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c1 ZINC000423008838 387831646 /nfs/dbraw/zinc/83/16/46/387831646.db2.gz BFXAEFCADZOXTA-GHMZBOCLSA-N 2 0 207.321 1.605 20 0 BDADRP C[C@@H](CO)CCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000423008620 387832114 /nfs/dbraw/zinc/83/21/14/387832114.db2.gz ARMVYETVUNYDCY-PNESKVBLSA-N 2 0 228.380 1.502 20 0 BDADRP CC[NH2+]CCNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000151381407 387832820 /nfs/dbraw/zinc/83/28/20/387832820.db2.gz HFAJQVSQUWEGLT-RYUDHWBXSA-N 2 0 241.379 1.010 20 0 BDADRP CC(C)C[C@H]([NH3+])c1noc(C2([NH3+])CCCC2)n1 ZINC000442744404 387833318 /nfs/dbraw/zinc/83/33/18/387833318.db2.gz HJIMQHUXXUWDAW-VIFPVBQESA-N 2 0 238.335 1.844 20 0 BDADRP CCC[C@@H](CCO)C[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000423011372 387833721 /nfs/dbraw/zinc/83/37/21/387833721.db2.gz ZIYSLBWQQXKYSJ-MJBXVCDLSA-N 2 0 242.407 1.905 20 0 BDADRP C[NH2+]Cc1ccccc1NC(=O)[C@H](C[NH3+])C(C)C ZINC000433159824 387873314 /nfs/dbraw/zinc/87/33/14/387873314.db2.gz MXNGEZYVZZFNMP-GFCCVEGCSA-N 2 0 249.358 1.575 20 0 BDADRP COC[C@@H](C)[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423014011 387835103 /nfs/dbraw/zinc/83/51/03/387835103.db2.gz HHTNNGLKCPWQDP-YNEHKIRRSA-N 2 0 228.380 1.922 20 0 BDADRP CO[C@@H]1CCC[C@H]1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423015360 387837850 /nfs/dbraw/zinc/83/78/50/387837850.db2.gz KMSXIKURVNJKTD-ZDEQEGDKSA-N 2 0 226.364 1.532 20 0 BDADRP Cc1cncc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000423016264 387838070 /nfs/dbraw/zinc/83/80/70/387838070.db2.gz SOPLCXITTMVFRR-OLZOCXBDSA-N 2 0 219.332 1.607 20 0 BDADRP C[C@H]([NH2+]CC1(C)Cc2ccccc2C1)C1C[NH2+]C1 ZINC000423015834 387838103 /nfs/dbraw/zinc/83/81/03/387838103.db2.gz LJCYHHXWHZJZMH-LBPRGKRZSA-N 2 0 244.382 1.989 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccc(N(C)C)n1 ZINC000423015963 387838132 /nfs/dbraw/zinc/83/81/32/387838132.db2.gz RYLNROVSSUHYDC-WDEREUQCSA-N 2 0 236.363 1.363 20 0 BDADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423015354 387838872 /nfs/dbraw/zinc/83/88/72/387838872.db2.gz KMSXIKURVNJKTD-FVCCEPFGSA-N 2 0 226.364 1.532 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCC[C@H]1OC ZINC000423019594 387841137 /nfs/dbraw/zinc/84/11/37/387841137.db2.gz WGNXZDPZEQPMEX-FRRDWIJNSA-N 2 0 244.379 1.145 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCN(C)[C@@H]1C ZINC000423027512 387844656 /nfs/dbraw/zinc/84/46/56/387844656.db2.gz DJFPSAZITXEWRT-IJLUTSLNSA-N 2 0 213.369 1.186 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCCN(C)[C@@H]1C ZINC000423034254 387848434 /nfs/dbraw/zinc/84/84/34/387848434.db2.gz PQGYXWQDTSVAKB-UPJWGTAASA-N 2 0 227.396 1.576 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000423032669 387849155 /nfs/dbraw/zinc/84/91/55/387849155.db2.gz MYQJUZHBYVZMLA-AAVRWANBSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CCCO1)[C@@H]1CCC[NH2+]1 ZINC000643459642 387850004 /nfs/dbraw/zinc/85/00/04/387850004.db2.gz JRLRORFDHSTJDT-UTUOFQBUSA-N 2 0 212.337 1.286 20 0 BDADRP CCC[NH+]1CCC(N[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000396634439 387853223 /nfs/dbraw/zinc/85/32/23/387853223.db2.gz YYOLNBKFUCCBPZ-GXTWGEPZSA-N 2 0 239.407 1.591 20 0 BDADRP CCOC1CC(CC[NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000423075654 387874166 /nfs/dbraw/zinc/87/41/66/387874166.db2.gz XINXIGMGFRDVIR-HHTDUIENSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@H](NCC1(C[NH+](C)C)CCCC1)C1C[NH2+]C1 ZINC000423040278 387854103 /nfs/dbraw/zinc/85/41/03/387854103.db2.gz SYOPHBJGVJQFHI-LBPRGKRZSA-N 2 0 239.407 1.306 20 0 BDADRP COC1CCC(CC[NH2+][C@H](C)C2C[NH2+]C2)CC1 ZINC000423042460 387855638 /nfs/dbraw/zinc/85/56/38/387855638.db2.gz ZHMCUEIMCOEXQZ-LKSINWNRSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000423043318 387855715 /nfs/dbraw/zinc/85/57/15/387855715.db2.gz OIQFHGDNZXPCNK-MGPQQGTHSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000423051949 387859466 /nfs/dbraw/zinc/85/94/66/387859466.db2.gz PKBARQAKYJEDQQ-PYJNHQTQSA-N 2 0 238.375 1.674 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(CO)CCCC1 ZINC000423051820 387859843 /nfs/dbraw/zinc/85/98/43/387859843.db2.gz OEBRJGXECZBKHZ-STQMWFEESA-N 2 0 240.391 1.517 20 0 BDADRP CSCCCCC[NH2+][C@H](C)C1C[NH2+]C1 ZINC000423052261 387861057 /nfs/dbraw/zinc/86/10/57/387861057.db2.gz PJQNMCAHBDELAC-SNVBAGLBSA-N 2 0 216.394 1.717 20 0 BDADRP CC(C)O[C@H]1C[C@H]([NH2+]C2CC[NH2+]CC2)C1(C)C ZINC000423053979 387861931 /nfs/dbraw/zinc/86/19/31/387861931.db2.gz TZCVTJZCWPPDLH-STQMWFEESA-N 2 0 240.391 1.920 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC1(CO)CCCC1 ZINC000423054167 387862246 /nfs/dbraw/zinc/86/22/46/387862246.db2.gz UACXRYIBCAFPIW-GHMZBOCLSA-N 2 0 212.337 1.009 20 0 BDADRP Cc1ccccc1C[C@@H](CO)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000423053223 387862548 /nfs/dbraw/zinc/86/25/48/387862548.db2.gz AAOGWJNCYJAHIO-WFASDCNBSA-N 2 0 248.370 1.096 20 0 BDADRP COC[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)C1CC1 ZINC000643535253 387863059 /nfs/dbraw/zinc/86/30/59/387863059.db2.gz LBXPQKBYMRNTQX-VXGBXAGGSA-N 2 0 224.348 1.143 20 0 BDADRP CC[C@H]([NH2+]CC1(CCO)CC1)[C@@H]1CCC[NH2+]1 ZINC000423058620 387865942 /nfs/dbraw/zinc/86/59/42/387865942.db2.gz CVSPYEQNDJRCKQ-RYUDHWBXSA-N 2 0 226.364 1.269 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCC(C)(C)O ZINC000423064115 387867902 /nfs/dbraw/zinc/86/79/02/387867902.db2.gz QLWBGTGPLRCGTC-QWRGUYRKSA-N 2 0 214.353 1.125 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCOC(F)(F)F ZINC000423067918 387869299 /nfs/dbraw/zinc/86/92/99/387869299.db2.gz ISWUYWOLHPJKOT-IUCAKERBSA-N 2 0 240.269 1.501 20 0 BDADRP CC1(C)[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1O ZINC000423066162 387870075 /nfs/dbraw/zinc/87/00/75/387870075.db2.gz WFBXNLWWRQGKNF-RTWBTXMESA-N 2 0 224.348 1.018 20 0 BDADRP CO[C@@H]1CC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])C1 ZINC000423069040 387872662 /nfs/dbraw/zinc/87/26/62/387872662.db2.gz LIABQFNUOBZGQH-ZRUFSTJUSA-N 2 0 200.326 1.269 20 0 BDADRP COc1ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1O ZINC000422966953 387815964 /nfs/dbraw/zinc/81/59/64/387815964.db2.gz AYNAKROVLCKPIO-UWVGGRQHSA-N 2 0 238.331 1.616 20 0 BDADRP [NH3+]CC1CCC([NH2+]CCc2ccco2)CC1 ZINC000422966381 387816056 /nfs/dbraw/zinc/81/60/56/387816056.db2.gz RGALIHAUOSDTJG-UHFFFAOYSA-N 2 0 222.332 1.929 20 0 BDADRP CC(C)[C@H](CN[C@H](C)C[C@H](C)[NH3+])[NH+]1CCCC1 ZINC000422968109 387816622 /nfs/dbraw/zinc/81/66/22/387816622.db2.gz VPCQWIMVDFFNQW-MJBXVCDLSA-N 2 0 241.423 1.822 20 0 BDADRP CC(C)[N@H+](C)CCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422968072 387816895 /nfs/dbraw/zinc/81/68/95/387816895.db2.gz VKZIIPQRWKNYIS-PBWFPOADSA-N 2 0 239.407 1.589 20 0 BDADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H](C)CO ZINC000422966452 387816928 /nfs/dbraw/zinc/81/69/28/387816928.db2.gz ACBVTKIODDVOTQ-OUCADQQQSA-N 2 0 236.359 1.163 20 0 BDADRP COc1cc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)ccn1 ZINC000422968292 387817279 /nfs/dbraw/zinc/81/72/79/387817279.db2.gz WEMDFIKNVVUBEB-WCQYABFASA-N 2 0 249.358 1.568 20 0 BDADRP COCCN(CCc1ccccc1)C[C@H](C)[NH3+] ZINC000442667298 387818971 /nfs/dbraw/zinc/81/89/71/387818971.db2.gz ZBCUMTXULAXNFQ-ZDUSSCGKSA-N 2 0 236.359 1.525 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000422969259 387819256 /nfs/dbraw/zinc/81/92/56/387819256.db2.gz ZIULBFXMUZZKFW-ZIAGYGMSSA-N 2 0 241.423 1.966 20 0 BDADRP COCC1(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])CCC1 ZINC000423104502 387889825 /nfs/dbraw/zinc/88/98/25/387889825.db2.gz BPLSFRZFGWVXPE-WDEREUQCSA-N 2 0 212.337 1.273 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cnn2ccccc12 ZINC000423106008 387890695 /nfs/dbraw/zinc/89/06/95/387890695.db2.gz OCVAHXJZCMTFES-WDEREUQCSA-N 2 0 232.331 1.550 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCN1CC=CCC1 ZINC000423106244 387892163 /nfs/dbraw/zinc/89/21/63/387892163.db2.gz ZLHXKHAPJRRQPY-KGLIPLIRSA-N 2 0 237.391 1.226 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCC[C@@H]1C ZINC000423109261 387892447 /nfs/dbraw/zinc/89/24/47/387892447.db2.gz URSSJXMGGNYMNO-HPCHECBXSA-N 2 0 240.391 1.765 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000423114243 387896185 /nfs/dbraw/zinc/89/61/85/387896185.db2.gz ZBIPJDMFHUMPPG-FVCCEPFGSA-N 2 0 228.380 1.907 20 0 BDADRP COCC[C@H]([NH2+]C1CC[NH2+]CC1)C(C)(C)C ZINC000423114150 387896372 /nfs/dbraw/zinc/89/63/72/387896372.db2.gz LOOBQCWXVBJGCZ-LBPRGKRZSA-N 2 0 228.380 1.779 20 0 BDADRP C[C@@H](CN(C)C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423114340 387897137 /nfs/dbraw/zinc/89/71/37/387897137.db2.gz VGEXYNZDTZZVEC-UNXYVOJBSA-N 2 0 213.369 1.044 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CCC2CC(O)C2)c2ccccc21 ZINC000423078415 387875894 /nfs/dbraw/zinc/87/58/94/387875894.db2.gz VZZPAAKLNQNSRF-FBDPFYNOSA-N 2 0 246.354 1.882 20 0 BDADRP CO[C@H](CC[NH2+][C@H](C)C[C@H](C)[NH3+])C(F)(F)F ZINC000423076594 387876818 /nfs/dbraw/zinc/87/68/18/387876818.db2.gz ZJBXFETUMAQFDP-DJLDLDEBSA-N 2 0 242.285 1.669 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000423082746 387879025 /nfs/dbraw/zinc/87/90/25/387879025.db2.gz XFXARMOWBRYURX-ZDUSSCGKSA-N 3 0 241.423 1.825 20 0 BDADRP CC[C@@H]([NH2+]C[C@@H]1CCSC1)[C@@H]1CCC[NH2+]1 ZINC000423084805 387879503 /nfs/dbraw/zinc/87/95/03/387879503.db2.gz IZCZVYVLYZQVSZ-TUAOUCFPSA-N 2 0 228.405 1.860 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H]1N(C)CCCC1(C)C ZINC000423086473 387881330 /nfs/dbraw/zinc/88/13/30/387881330.db2.gz NESHKKSOUXEMAQ-QWHCGFSZSA-N 2 0 241.423 1.824 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@@H]1C[NH2+]CC[C@H]1C ZINC000423090316 387882464 /nfs/dbraw/zinc/88/24/64/387882464.db2.gz XIYQQXJHFILXHM-JHJVBQTASA-N 2 0 227.396 1.304 20 0 BDADRP CSC1(C[NH2+][C@H](C)C2C[NH2+]C2)CCC1 ZINC000423091909 387883333 /nfs/dbraw/zinc/88/33/33/387883333.db2.gz ZOPAEUZZNZUVIQ-SECBINFHSA-N 2 0 214.378 1.470 20 0 BDADRP CC(C)(C)CC[C@H](CO)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000423098252 387887823 /nfs/dbraw/zinc/88/78/23/387887823.db2.gz RVITVZQOCQDMEN-CHWSQXEVSA-N 2 0 242.407 1.905 20 0 BDADRP FC(F)O[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000423103472 387888978 /nfs/dbraw/zinc/88/89/78/387888978.db2.gz ARIKBGSYANTICY-HBNTYKKESA-N 2 0 248.317 1.878 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000423141910 387918401 /nfs/dbraw/zinc/91/84/01/387918401.db2.gz SJBCBHYYYCUREI-MELADBBJSA-N 2 0 241.423 1.824 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000423118183 387901383 /nfs/dbraw/zinc/90/13/83/387901383.db2.gz ZEANHXQWRHHELM-NHCYSSNCSA-N 2 0 236.363 1.513 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+][C@@H]1CCCOC1 ZINC000423119490 387901456 /nfs/dbraw/zinc/90/14/56/387901456.db2.gz CODPDARBERRPKO-GRYCIOLGSA-N 2 0 212.337 1.415 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CC[C@@H](F)C1 ZINC000423125646 387904328 /nfs/dbraw/zinc/90/43/28/387904328.db2.gz NQHOQUMEMJZFQU-MXWKQRLJSA-N 2 0 202.317 1.984 20 0 BDADRP CCOCC(C)(C)C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000423126697 387904598 /nfs/dbraw/zinc/90/45/98/387904598.db2.gz SKSFLEQHWBLDDX-QWRGUYRKSA-N 2 0 214.353 1.519 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])C1CC1 ZINC000423126075 387904998 /nfs/dbraw/zinc/90/49/98/387904998.db2.gz APFCDQNFECNUPZ-JHJVBQTASA-N 2 0 226.364 1.661 20 0 BDADRP CCc1noc(C)c1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000423129496 387908017 /nfs/dbraw/zinc/90/80/17/387908017.db2.gz FCIQETFRGCCZDZ-MFKMUULPSA-N 2 0 237.347 1.762 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@@H](F)C1)[C@H]1CCC[NH2+]1 ZINC000423130812 387908040 /nfs/dbraw/zinc/90/80/40/387908040.db2.gz SEDNGZQCUDNCLZ-ZRUFSTJUSA-N 2 0 200.301 1.607 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@H]1COc2ccccc21 ZINC000423131194 387908201 /nfs/dbraw/zinc/90/82/01/387908201.db2.gz ZOXDNDYQPOSJMR-NEPJUHHUSA-N 2 0 234.343 1.880 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)N[C@H](C)[C@H]1CCC[NH2+]1 ZINC000423133158 387909360 /nfs/dbraw/zinc/90/93/60/387909360.db2.gz CHAZPGBTAQKELW-BFHYXJOUSA-N 2 0 241.423 1.837 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000423131754 387910267 /nfs/dbraw/zinc/91/02/67/387910267.db2.gz IKQYVZSMZGIQFZ-IVZWLZJFSA-N 2 0 223.320 1.564 20 0 BDADRP COCC1(CC[NH2+][C@@H](C)C[C@@H](C)[NH3+])CCC1 ZINC000423135611 387913768 /nfs/dbraw/zinc/91/37/68/387913768.db2.gz OBGAIXOGWZJALK-NEPJUHHUSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@@H](F)CC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423135282 387913921 /nfs/dbraw/zinc/91/39/21/387913921.db2.gz NFBGQIPFNVCHRG-VWYCJHECSA-N 2 0 202.317 1.855 20 0 BDADRP C[C@@H](F)CC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423135281 387914038 /nfs/dbraw/zinc/91/40/38/387914038.db2.gz NFBGQIPFNVCHRG-OUAUKWLOSA-N 2 0 202.317 1.855 20 0 BDADRP C[C@H](F)CC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423135274 387914268 /nfs/dbraw/zinc/91/42/68/387914268.db2.gz NFBGQIPFNVCHRG-GARJFASQSA-N 2 0 202.317 1.855 20 0 BDADRP CC[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])OC ZINC000423135755 387914535 /nfs/dbraw/zinc/91/45/35/387914535.db2.gz GMHWHMABMWUBOK-GRYCIOLGSA-N 2 0 214.353 1.661 20 0 BDADRP CC[C@@H]([NH2+]CC(C)(C)COC)[C@@H]1CCC[NH2+]1 ZINC000423138617 387916103 /nfs/dbraw/zinc/91/61/03/387916103.db2.gz YFNLDEZYMNXNPR-NEPJUHHUSA-N 2 0 228.380 1.779 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000423138213 387916764 /nfs/dbraw/zinc/91/67/64/387916764.db2.gz SLUNKTJPVQULQG-UWVGGRQHSA-N 2 0 223.320 1.565 20 0 BDADRP CCC[C@H](C[NH2+][C@@H](C)C[C@@H](C)[NH3+])OC ZINC000423142412 387917578 /nfs/dbraw/zinc/91/75/78/387917578.db2.gz AKBGJVLDILINTR-OUAUKWLOSA-N 2 0 202.342 1.517 20 0 BDADRP CC[C@@H]1C[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423151307 387930127 /nfs/dbraw/zinc/93/01/27/387930127.db2.gz JSSMFTIGVXTEJY-UCEQBCCISA-N 2 0 208.349 1.905 20 0 BDADRP CO[C@@H]1COCC[C@@H]1C[NH2+][C@H](C)CCCC[NH3+] ZINC000423151566 387930440 /nfs/dbraw/zinc/93/04/40/387930440.db2.gz CRPNKTRLEOWRCQ-JHJVBQTASA-N 2 0 244.379 1.145 20 0 BDADRP CCn1cc([C@H](C)[NH2+][C@@H](C)C[C@@H](C)[NH3+])cn1 ZINC000423160651 387937280 /nfs/dbraw/zinc/93/72/80/387937280.db2.gz MLULWHILQDVJNQ-VWYCJHECSA-N 2 0 224.352 1.679 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000423156513 387937289 /nfs/dbraw/zinc/93/72/89/387937289.db2.gz LBWSUOVLQNIXAT-JHJVBQTASA-N 2 0 228.380 1.787 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCC[C@H]1CCOC1 ZINC000423153263 387931891 /nfs/dbraw/zinc/93/18/91/387931891.db2.gz HENHQHSDZSADFK-RDBSUJKOSA-N 2 0 240.391 1.781 20 0 BDADRP CC[C@@H]([NH2+][C@@H](C)CC(C)(C)O)[C@@H]1CCC[NH2+]1 ZINC000423154408 387932265 /nfs/dbraw/zinc/93/22/65/387932265.db2.gz HPVQUAOKZWFQLJ-TUAOUCFPSA-N 2 0 228.380 1.656 20 0 BDADRP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000423155574 387934789 /nfs/dbraw/zinc/93/47/89/387934789.db2.gz QTZDOKQXMJJOIF-UJPOAAIJSA-N 2 0 226.364 1.374 20 0 BDADRP Cc1cccnc1CCC[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000423155100 387934879 /nfs/dbraw/zinc/93/48/79/387934879.db2.gz PXUCBZRGBXGWLQ-OCCSQVGLSA-N 2 0 233.359 1.792 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000423157619 387936186 /nfs/dbraw/zinc/93/61/86/387936186.db2.gz BHGFTUDYXOHAKT-WISYIIOYSA-N 2 0 212.337 1.271 20 0 BDADRP CCC[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)OC ZINC000423142697 387920361 /nfs/dbraw/zinc/92/03/61/387920361.db2.gz BFMPDWANDRQTTK-XQQFMLRXSA-N 2 0 228.380 1.779 20 0 BDADRP CC[N@H+](C)CCN[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000156125653 387920581 /nfs/dbraw/zinc/92/05/81/387920581.db2.gz HXGPRGUKLQDBHS-NEPJUHHUSA-N 2 0 213.369 1.010 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000423144757 387920925 /nfs/dbraw/zinc/92/09/25/387920925.db2.gz HWFNWFRVCCOKRO-NNYUYHANSA-N 2 0 214.328 1.984 20 0 BDADRP CCC[C@H](C[NH2+]C1CCC(C[NH3+])CC1)OC ZINC000423142984 387921417 /nfs/dbraw/zinc/92/14/17/387921417.db2.gz CBNAPIDOHPQNRY-WXRRBKDZSA-N 2 0 228.380 1.909 20 0 BDADRP C[N@H+](CCCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+])C1CC1 ZINC000423163836 387923254 /nfs/dbraw/zinc/92/32/54/387923254.db2.gz NPAMZXZWMOLLCO-TZMCWYRMSA-N 3 0 239.407 1.578 20 0 BDADRP Cc1ccncc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000423146322 387923494 /nfs/dbraw/zinc/92/34/94/387923494.db2.gz ACEUBAZJHWPUEZ-MNOVXSKESA-N 2 0 207.321 1.605 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCCC1CCOCC1 ZINC000423145141 387923652 /nfs/dbraw/zinc/92/36/52/387923652.db2.gz JGBKANNXFDWUNV-CHWSQXEVSA-N 2 0 226.364 1.663 20 0 BDADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1=CCCCC1 ZINC000423148503 387924838 /nfs/dbraw/zinc/92/48/38/387924838.db2.gz VMYDBBNGXBLOLY-YUTCNCBUSA-N 2 0 238.375 1.829 20 0 BDADRP Cc1cc(C)c(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cn1 ZINC000423150346 387926986 /nfs/dbraw/zinc/92/69/86/387926986.db2.gz BQHYFIUPDXRTKO-JQWIXIFHSA-N 2 0 221.348 1.914 20 0 BDADRP [NH3+]CC1CCC([NH2+]CCC[C@H]2CCOC2)CC1 ZINC000423150349 387927594 /nfs/dbraw/zinc/92/75/94/387927594.db2.gz BQNMCPMDFDEDOY-MOKVOYLWSA-N 2 0 240.391 1.910 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)CCCCO)[C@@H]1CCC[NH2+]1 ZINC000423150244 387928572 /nfs/dbraw/zinc/92/85/72/387928572.db2.gz BIPIUBGHQBRGOX-AVGNSLFASA-N 2 0 228.380 1.658 20 0 BDADRP COCC[C@@H](C)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000423168144 387953034 /nfs/dbraw/zinc/95/30/34/387953034.db2.gz GWHQPEKZMPERQZ-PNESKVBLSA-N 2 0 228.380 1.766 20 0 BDADRP COc1cccc2c1C[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])C2 ZINC000423170003 387954880 /nfs/dbraw/zinc/95/48/80/387954880.db2.gz KZLKOMMEDWTRQT-GMXVVIOVSA-N 2 0 248.370 1.878 20 0 BDADRP COc1cccc2c1C[C@@H]([NH2+][C@H](C)CCC[NH3+])C2 ZINC000423168978 387955652 /nfs/dbraw/zinc/95/56/52/387955652.db2.gz IHLMAACBVYIPEV-YPMHNXCESA-N 2 0 248.370 1.879 20 0 BDADRP CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)CCC[NH3+] ZINC000423169975 387955733 /nfs/dbraw/zinc/95/57/33/387955733.db2.gz KTMRWRNGAAQFRG-MXWKQRLJSA-N 2 0 200.326 1.271 20 0 BDADRP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424224630 387938714 /nfs/dbraw/zinc/93/87/14/387938714.db2.gz OECOGFRKFQEZKO-MFKMUULPSA-N 2 0 249.358 1.766 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCC(C)(C)CO ZINC000423160025 387940897 /nfs/dbraw/zinc/94/08/97/387940897.db2.gz QHNVXTRJGNNUSU-RYUDHWBXSA-N 2 0 228.380 1.373 20 0 BDADRP CC(C)[C@@H]1C[C@H]1C[NH2+][C@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000423160619 387941182 /nfs/dbraw/zinc/94/11/82/387941182.db2.gz ZWXHTINHIVUJIL-YHQUGGNUSA-N 2 0 240.391 1.620 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2=CC[N@H+](C)CC2)[C@@H](C)O1 ZINC000392234626 387943488 /nfs/dbraw/zinc/94/34/88/387943488.db2.gz DDEUKDUHCDJRCV-WZRBSPASSA-N 2 0 224.348 1.404 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)O1 ZINC000423162383 387943548 /nfs/dbraw/zinc/94/35/48/387943548.db2.gz KXZTYCDMXMFVCE-LOWDOPEQSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1C[C@@H](O)C1 ZINC000423161636 387943580 /nfs/dbraw/zinc/94/35/80/387943580.db2.gz JLYBHDWGDOQXEB-LPWJVIDDSA-N 2 0 226.364 1.410 20 0 BDADRP Cc1ccc(CC[NH2+][C@H](C)C[C@@H](C)[NH3+])nc1 ZINC000423162390 387943833 /nfs/dbraw/zinc/94/38/33/387943833.db2.gz KYWBNHQTKWTRKJ-VXGBXAGGSA-N 2 0 221.348 1.648 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC(C)(C)C(C)(C)O ZINC000423162303 387943967 /nfs/dbraw/zinc/94/39/67/387943967.db2.gz PAFCCNYHAZZDGV-VHSXEESVSA-N 2 0 216.369 1.499 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])C1 ZINC000423162972 387946135 /nfs/dbraw/zinc/94/61/35/387946135.db2.gz LYNPKAAZYPLLEX-XWLWVQCSSA-N 2 0 200.326 1.269 20 0 BDADRP C[C@@H](C[NH3+])N(C)C[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000424268818 387948799 /nfs/dbraw/zinc/94/87/99/387948799.db2.gz LSOXKQFFIAWMSW-CMPLNLGQSA-N 2 0 239.338 1.147 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CCN1CC=CCC1 ZINC000392279058 387949496 /nfs/dbraw/zinc/94/94/96/387949496.db2.gz FNKZNUZHYHQJJF-ZDUSSCGKSA-N 2 0 225.380 1.355 20 0 BDADRP C[C@@H](CCCO)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423165999 387949606 /nfs/dbraw/zinc/94/96/06/387949606.db2.gz YSWSZXKZAQTCKQ-RWMBFGLXSA-N 2 0 228.380 1.515 20 0 BDADRP COCC1(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CCCC1 ZINC000423166182 387950045 /nfs/dbraw/zinc/95/00/45/387950045.db2.gz QUVRZTLDGUOGBF-CHWSQXEVSA-N 2 0 240.391 1.910 20 0 BDADRP Cc1ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])nc1C ZINC000423165901 387950138 /nfs/dbraw/zinc/95/01/38/387950138.db2.gz BRRXGZOUJRHHKK-WDEREUQCSA-N 2 0 221.348 1.914 20 0 BDADRP CC[C@H](C)[C@@H](C[NH2+][C@H](C)C1C[NH2+]C1)OC ZINC000423165956 387950856 /nfs/dbraw/zinc/95/08/56/387950856.db2.gz YNEXBUJWVGZDMM-HOSYDEDBSA-N 2 0 214.353 1.245 20 0 BDADRP CCSCC[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000158566742 387958271 /nfs/dbraw/zinc/95/82/71/387958271.db2.gz KCBYDEIZIMXUDC-LLVKDONJSA-N 2 0 216.394 1.671 20 0 BDADRP COCC[C@H](C)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423171408 387958247 /nfs/dbraw/zinc/95/82/47/387958247.db2.gz OITYWNWIDJJVBT-RWMBFGLXSA-N 2 0 228.380 1.779 20 0 BDADRP CCOCCC[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424297406 387958640 /nfs/dbraw/zinc/95/86/40/387958640.db2.gz SNYMTQOHLZSCLQ-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1C[C@H]1CC(C)C ZINC000423172125 387959586 /nfs/dbraw/zinc/95/95/86/387959586.db2.gz RLIINCRLGFLAOX-JHJVBQTASA-N 2 0 228.380 1.765 20 0 BDADRP CCOC(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424300502 387961015 /nfs/dbraw/zinc/96/10/15/387961015.db2.gz WKIFZXJWPGRKNK-NSHDSACASA-N 2 0 240.347 1.014 20 0 BDADRP C[C@@H]1CCC[C@@H]([NH+]2CCC(NCC[NH3+])CC2)C1 ZINC000423175215 387962709 /nfs/dbraw/zinc/96/27/09/387962709.db2.gz DKTHSXAZPKUWQE-TZMCWYRMSA-N 2 0 239.407 1.578 20 0 BDADRP CC[N@H+](C)CCN[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000158773131 387962969 /nfs/dbraw/zinc/96/29/69/387962969.db2.gz OJCBEEGCSPXYIX-CHWSQXEVSA-N 2 0 227.396 1.258 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCC[NH2+]C1 ZINC000423178652 387963317 /nfs/dbraw/zinc/96/33/17/387963317.db2.gz CIPPMMLKEVAPBU-LPWJVIDDSA-N 2 0 225.380 1.057 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1NCC1([NH3+])CCCCC1 ZINC000423179318 387965940 /nfs/dbraw/zinc/96/59/40/387965940.db2.gz LXYPMZSGUWUOJF-OLZOCXBDSA-N 2 0 239.407 1.755 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]CC1([NH3+])CCCCC1 ZINC000423181321 387967658 /nfs/dbraw/zinc/96/76/58/387967658.db2.gz OTZNMYMLNNLEOK-WDEREUQCSA-N 2 0 214.353 1.661 20 0 BDADRP c1coc([C@@H]2C[C@H]2[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000423185623 387970569 /nfs/dbraw/zinc/97/05/69/387970569.db2.gz NZCFFZFYEGQGEH-QJPTWQEYSA-N 2 0 220.316 1.867 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])C12CCC2 ZINC000423170301 387957251 /nfs/dbraw/zinc/95/72/51/387957251.db2.gz LOERFLUXBFCNFU-WISYIIOYSA-N 2 0 226.364 1.659 20 0 BDADRP CCCCO[C@@H]1C[C@H]([NH2+]CCC[NH3+])C1(C)C ZINC000423186058 387971972 /nfs/dbraw/zinc/97/19/72/387971972.db2.gz JWWRLUOHYKBDME-NWDGAFQWSA-N 2 0 228.380 1.909 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCOCC1CC1 ZINC000424336278 387978943 /nfs/dbraw/zinc/97/89/43/387978943.db2.gz PXIIVYIJDHFOFL-VXGBXAGGSA-N 2 0 212.337 1.273 20 0 BDADRP [NH3+]C1(c2noc([C@H]3CC[NH2+]C3)n2)CCCCC1 ZINC000424338081 387979979 /nfs/dbraw/zinc/97/99/79/387979979.db2.gz MQKCZEDESUKJMW-VIFPVBQESA-N 2 0 236.319 1.265 20 0 BDADRP CC(C)C1CC([NH2+]CCCN2CC[NH2+]CC2)C1 ZINC000423189164 387974294 /nfs/dbraw/zinc/97/42/94/387974294.db2.gz QKCRLQQHZIXSMB-UHFFFAOYSA-N 2 0 239.407 1.306 20 0 BDADRP C[N@@H+]1CC[C@H](NC2CC[NH2+]CC2)[C@@H]2CCC[C@@H]21 ZINC000423191488 387975560 /nfs/dbraw/zinc/97/55/60/387975560.db2.gz UFVYZTFIAOBQKD-IHRRRGAJSA-N 2 0 237.391 1.201 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H]1C)[C@H]1CCC[NH2+]1 ZINC000423191367 387975615 /nfs/dbraw/zinc/97/56/15/387975615.db2.gz SRFCNEKEYDCIDB-SYLRKERUSA-N 2 0 226.364 1.530 20 0 BDADRP CCN(CC)CC[NH2+][C@H](C)Cc1cnccn1 ZINC000453061183 387976134 /nfs/dbraw/zinc/97/61/34/387976134.db2.gz SETQLXKHDQNXEW-GFCCVEGCSA-N 2 0 236.363 1.339 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H]1CCc2ccccc21 ZINC000423191816 387976291 /nfs/dbraw/zinc/97/62/91/387976291.db2.gz UDMDKWRHDIXACQ-CYBMUJFWSA-N 2 0 204.317 1.873 20 0 BDADRP CCOCCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158968014 387976848 /nfs/dbraw/zinc/97/68/48/387976848.db2.gz FAALJTOTVAJJAB-KGLIPLIRSA-N 2 0 240.391 1.829 20 0 BDADRP c1cc2c(o1)CCC[C@@H]2[NH2+]CCN1CC[NH2+]CC1 ZINC000423201130 387987707 /nfs/dbraw/zinc/98/77/07/387987707.db2.gz HPVDGHSBAKBMRI-ZDUSSCGKSA-N 2 0 249.358 1.152 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H](C)CCCc1cccnc1 ZINC000423201881 387988026 /nfs/dbraw/zinc/98/80/26/387988026.db2.gz QDHQMUUKDWJCNB-ZDUSSCGKSA-N 2 0 235.375 1.992 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cnn(C)c1 ZINC000423203532 387989957 /nfs/dbraw/zinc/98/99/57/387989957.db2.gz CLKUPRSHHLHVGN-YPMHNXCESA-N 2 0 236.363 1.460 20 0 BDADRP CCCC[N@H+](CCOCC[NH3+])C1CC1 ZINC000086435500 135084172 /nfs/dbraw/zinc/08/41/72/135084172.db2.gz TXVCDZPPVCWHPH-UHFFFAOYSA-N 2 0 200.326 1.226 20 0 BDADRP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[NH2+]C1 ZINC000423207736 387993412 /nfs/dbraw/zinc/99/34/12/387993412.db2.gz DJSMQJHWLUEVMV-SRVKXCTJSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+]CCN2CC[NH2+]CC2)C1 ZINC000423210144 387994011 /nfs/dbraw/zinc/99/40/11/387994011.db2.gz VYQAJBCROSQCHT-HZSPNIEDSA-N 2 0 239.407 1.306 20 0 BDADRP C1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)C[NH2+]1 ZINC000423210332 387995207 /nfs/dbraw/zinc/99/52/07/387995207.db2.gz HKCRTAXGVWBOMN-XJFOESAGSA-N 2 0 238.375 1.533 20 0 BDADRP CC[C@H](NC[C@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423210610 387995514 /nfs/dbraw/zinc/99/55/14/387995514.db2.gz KCLUNTNIRVAAFW-AVGNSLFASA-N 2 0 225.380 1.106 20 0 BDADRP CCC[C@@H]([NH2+]CCN1CC[NH2+]CC1)C(C)(C)C ZINC000423211749 387995564 /nfs/dbraw/zinc/99/55/64/387995564.db2.gz YTJUIAYAZSSGSU-CYBMUJFWSA-N 2 0 241.423 1.696 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000423199339 387985711 /nfs/dbraw/zinc/98/57/11/387985711.db2.gz JTXZHFVLBPLSJY-HZSPNIEDSA-N 2 0 240.391 1.781 20 0 BDADRP C(CN1CC[NH2+]CC1)[NH2+][C@@H](C1CC1)C1CCC1 ZINC000423200460 387986088 /nfs/dbraw/zinc/98/60/88/387986088.db2.gz FSPSFLOGRUJCMQ-CQSZACIVSA-N 2 0 237.391 1.060 20 0 BDADRP CCOC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424371099 387997143 /nfs/dbraw/zinc/99/71/43/387997143.db2.gz USPUHEZYBOGYNY-GMTAPVOTSA-N 2 0 200.326 1.271 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[NH2+]C1 ZINC000423215783 387997210 /nfs/dbraw/zinc/99/72/10/387997210.db2.gz OVPFNSUURLNVGT-SRVKXCTJSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000423215791 387997464 /nfs/dbraw/zinc/99/74/64/387997464.db2.gz NNLDFNWZDYEMHZ-BNDIWNMDSA-N 2 0 226.364 1.530 20 0 BDADRP C1CC1[C@@H]([NH2+][C@H]1CC[NH2+]C1)C1CCCC1 ZINC000423213464 387998232 /nfs/dbraw/zinc/99/82/32/387998232.db2.gz LHQJLXAMYMAXEO-STQMWFEESA-N 2 0 208.349 1.907 20 0 BDADRP C[C@H]([NH2+]CCOCC[NH3+])[C@@H](C)c1ccccc1 ZINC000420399449 387998681 /nfs/dbraw/zinc/99/86/81/387998681.db2.gz HVQBXBBUZYYWLQ-OLZOCXBDSA-N 2 0 236.359 1.744 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000424375413 387998761 /nfs/dbraw/zinc/99/87/61/387998761.db2.gz NBTJCQZACCZERZ-REWJHTLYSA-N 3 0 237.391 1.473 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424375175 387999434 /nfs/dbraw/zinc/99/94/34/387999434.db2.gz MMZXZBLTMTXJBH-ZRJCITRHSA-N 2 0 237.391 1.329 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424382736 388000766 /nfs/dbraw/zinc/00/07/66/388000766.db2.gz SLBXNWFGQHLRBV-ZDEQEGDKSA-N 2 0 208.349 1.892 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000423224159 388005659 /nfs/dbraw/zinc/00/56/59/388005659.db2.gz IJYHPKZQHAZVQT-WCQYABFASA-N 2 0 234.343 1.707 20 0 BDADRP C[C@@H](NC[C@H]1CCC[NH2+]C1)[C@H]1CCCC[NH2+]1 ZINC000423214867 387996604 /nfs/dbraw/zinc/99/66/04/387996604.db2.gz PUGYRBNEUYADPU-FRRDWIJNSA-N 2 0 225.380 1.106 20 0 BDADRP C([C@H]1CC[N@H+](C[C@H]2CCCO2)C1)[NH+]1CCCC1 ZINC000246155971 388015210 /nfs/dbraw/zinc/01/52/10/388015210.db2.gz GUHUDIHUGSTLQL-ZIAGYGMSSA-N 2 0 238.375 1.583 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@H]1CCC[NH2+]1 ZINC000423229383 388015741 /nfs/dbraw/zinc/01/57/41/388015741.db2.gz BCEGHWRUOSGYHV-LPWJVIDDSA-N 2 0 225.380 1.057 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1cccc(O)c1 ZINC000423269916 388022851 /nfs/dbraw/zinc/02/28/51/388022851.db2.gz HIHROOXHPURDMQ-QWRGUYRKSA-N 2 0 222.332 1.898 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1cccc(O)c1 ZINC000423269915 388023149 /nfs/dbraw/zinc/02/31/49/388023149.db2.gz HIHROOXHPURDMQ-MNOVXSKESA-N 2 0 222.332 1.898 20 0 BDADRP COc1ccc(C[NH2+][C@H](C)CC[NH3+])cc1 ZINC000066147953 388023657 /nfs/dbraw/zinc/02/36/57/388023657.db2.gz IWWBJLWKOYKMQN-SNVBAGLBSA-N 2 0 208.305 1.522 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccncc1F ZINC000423251152 388032756 /nfs/dbraw/zinc/03/27/56/388032756.db2.gz RLHPBCHPCILMTK-GHMZBOCLSA-N 2 0 237.322 1.871 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccncc1F ZINC000423251155 388034277 /nfs/dbraw/zinc/03/42/77/388034277.db2.gz RLHPBCHPCILMTK-WDEREUQCSA-N 2 0 237.322 1.871 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000423255946 388036579 /nfs/dbraw/zinc/03/65/79/388036579.db2.gz AZLCAOILMVFPTN-SRVKXCTJSA-N 2 0 214.353 1.247 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000423255945 388036952 /nfs/dbraw/zinc/03/69/52/388036952.db2.gz AZLCAOILMVFPTN-SDDRHHMPSA-N 2 0 214.353 1.247 20 0 BDADRP C[NH2+]C[C@H](C)CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423256220 388037393 /nfs/dbraw/zinc/03/73/93/388037393.db2.gz BMRUKDJPVWUVJM-YDHLFZDLSA-N 2 0 249.402 1.390 20 0 BDADRP COC[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)C(C)C ZINC000423257552 388039136 /nfs/dbraw/zinc/03/91/36/388039136.db2.gz JZYBTALMGZCOKG-OLZOCXBDSA-N 2 0 228.380 1.637 20 0 BDADRP CCOC[C@@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446883689 388041625 /nfs/dbraw/zinc/04/16/25/388041625.db2.gz JJXQNBHWMKSFNB-GFCCVEGCSA-N 2 0 240.391 1.875 20 0 BDADRP COC[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)C1CCCC1 ZINC000423263254 388042442 /nfs/dbraw/zinc/04/24/42/388042442.db2.gz ANFOEDWXLZCSFB-OLZOCXBDSA-N 2 0 228.380 1.765 20 0 BDADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C ZINC000423263834 388042871 /nfs/dbraw/zinc/04/28/71/388042871.db2.gz PCTVZQUWWZOUCB-VXGBXAGGSA-N 2 0 243.395 1.206 20 0 BDADRP C[C@H]1OCC[C@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446885430 388043987 /nfs/dbraw/zinc/04/39/87/388043987.db2.gz WNHCSBFRDAWXNU-BXUZGUMPSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423245167 388027822 /nfs/dbraw/zinc/02/78/22/388027822.db2.gz ITGZTIVIVAKOSF-BZPMIXESSA-N 2 0 237.391 1.058 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)C1CCSCC1 ZINC000423271663 388051619 /nfs/dbraw/zinc/05/16/19/388051619.db2.gz JFDFSYAEZSSCOC-QWRGUYRKSA-N 2 0 230.421 1.963 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@H]1C[NH3+])c1ccncc1F ZINC000423272186 388051625 /nfs/dbraw/zinc/05/16/25/388051625.db2.gz JMMWOUQKIYNZGT-KWBADKCTSA-N 2 0 237.322 1.999 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)CCCOC ZINC000423275519 388057409 /nfs/dbraw/zinc/05/74/09/388057409.db2.gz NFHBUFRTCZGYOL-QWRGUYRKSA-N 2 0 202.342 1.247 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@H](Cn1cccn1)C(C)C ZINC000423284688 388067744 /nfs/dbraw/zinc/06/77/44/388067744.db2.gz YSZXCVGXUSLBAG-QWHCGFSZSA-N 2 0 238.379 1.353 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000423284823 388069510 /nfs/dbraw/zinc/06/95/10/388069510.db2.gz YQGOBICJZMKQDW-NQBHXWOUSA-N 2 0 225.380 1.185 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000453393571 388069792 /nfs/dbraw/zinc/06/97/92/388069792.db2.gz VFMBYQQIMFAFKW-RKQHYHRCSA-N 2 0 240.391 1.466 20 0 BDADRP CCC([NH3+])(CC)C[NH2+][C@H](C)C1CCOCC1 ZINC000423287817 388072844 /nfs/dbraw/zinc/07/28/44/388072844.db2.gz OSMFUWSSCUOSCX-LLVKDONJSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCC(C)(C)[NH3+] ZINC000423288387 388072869 /nfs/dbraw/zinc/07/28/69/388072869.db2.gz RXUARIXMAQIVQZ-DGCLKSJQSA-N 2 0 235.375 1.272 20 0 BDADRP C[C@H]([NH3+])c1ccc(CN[C@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000423290917 388074121 /nfs/dbraw/zinc/07/41/21/388074121.db2.gz FYBOAPPQUHXYCF-HUBLWGQQSA-N 2 0 247.386 1.794 20 0 BDADRP CCC([NH3+])(CC)C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000423290267 388075007 /nfs/dbraw/zinc/07/50/07/388075007.db2.gz COTYSKNNLQJGHV-JTQLQIEISA-N 2 0 241.379 1.151 20 0 BDADRP C[C@H]([NH3+])c1ccc(CN[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000423289481 388075151 /nfs/dbraw/zinc/07/51/51/388075151.db2.gz BBOTUQGKDZQYGI-LEWSCRJBSA-N 2 0 233.359 1.676 20 0 BDADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000423293265 388075713 /nfs/dbraw/zinc/07/57/13/388075713.db2.gz QPPQKBYMLODHOP-NILFDRSVSA-N 3 0 247.386 1.923 20 0 BDADRP CCC([NH3+])(CC)CN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000423294930 388077560 /nfs/dbraw/zinc/07/75/60/388077560.db2.gz VRQGVAHIWLIMPF-WDEREUQCSA-N 2 0 213.369 1.092 20 0 BDADRP CCC([NH3+])(CC)CN[C@H](C)C[C@@H](C)[NH3+] ZINC000423294320 388077679 /nfs/dbraw/zinc/07/76/79/388077679.db2.gz UAJXFWMZJOOSPA-NXEZZACHSA-N 2 0 201.358 1.219 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@H](C)c1cncc(F)c1 ZINC000423298425 388079890 /nfs/dbraw/zinc/07/98/90/388079890.db2.gz OKAHMAQNDQGWEP-RKDXNWHRSA-N 2 0 211.284 1.466 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000423297637 388080260 /nfs/dbraw/zinc/08/02/60/388080260.db2.gz LCNLVUUUYVVLGM-BZPMIXESSA-N 2 0 239.407 1.576 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@@H]1CCCCC[C@H]1[NH3+] ZINC000423297774 388080371 /nfs/dbraw/zinc/08/03/71/388080371.db2.gz LUZRTBNYJCMJHA-JHJVBQTASA-N 2 0 227.396 1.754 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccncc2)CC1 ZINC000084691194 388080880 /nfs/dbraw/zinc/08/08/80/388080880.db2.gz MSCBFIKXWDMHHB-LLVKDONJSA-N 2 0 219.332 1.641 20 0 BDADRP C[N@H+](CCCC[NH2+]CC[C@@H]1CCOC1)C1CC1 ZINC000453598837 388090108 /nfs/dbraw/zinc/09/01/08/388090108.db2.gz QLRQVQULMVFXIG-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](C)N(C)C1CC1 ZINC000336660499 388091756 /nfs/dbraw/zinc/09/17/56/388091756.db2.gz NNXSEBLIWIEMPG-VXGBXAGGSA-N 2 0 227.396 1.576 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@H]2CCCC[C@@H]2O)CC1 ZINC000085967535 388097262 /nfs/dbraw/zinc/09/72/62/388097262.db2.gz RVLMQPUHDDNECE-OCCSQVGLSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)[C@H]1CCCC[NH2+]1 ZINC000333286312 388101282 /nfs/dbraw/zinc/10/12/82/388101282.db2.gz NKBQXYZOLQSCIT-YWPUVAFDSA-N 3 0 225.380 1.377 20 0 BDADRP Cc1cc(C[N@H+](C)CC2CC[NH2+]CC2)no1 ZINC000086703063 388106717 /nfs/dbraw/zinc/10/67/17/388106717.db2.gz YHLQKMXLISHVLB-UHFFFAOYSA-N 2 0 223.320 1.414 20 0 BDADRP CC(C)C[C@H](C[NH3+])N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000423269608 388049911 /nfs/dbraw/zinc/04/99/11/388049911.db2.gz VXIJHSVNEMPMBT-YNEHKIRRSA-N 2 0 227.396 1.432 20 0 BDADRP C[C@H]1CCSCC[N@@H+]1CC(C)(C)[NH3+] ZINC000261528209 135153235 /nfs/dbraw/zinc/15/32/35/135153235.db2.gz JZZCFGHGQBAFMH-VIFPVBQESA-N 2 0 202.367 1.551 20 0 BDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@@H]1C[C@H]1C ZINC000488526691 388183948 /nfs/dbraw/zinc/18/39/48/388183948.db2.gz AVCOJFZTNKIVLP-MCIONIFRSA-N 2 0 239.407 1.258 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)NCC1([NH3+])CCCCC1 ZINC000449064254 388138367 /nfs/dbraw/zinc/13/83/67/388138367.db2.gz UBUCKHOQNVKDTB-LLVKDONJSA-N 2 0 241.379 1.152 20 0 BDADRP CCc1cc(N[C@@H]2CCC[N@H+](C)[C@@H]2C)cc[nH+]1 ZINC000450437960 388256123 /nfs/dbraw/zinc/25/61/23/388256123.db2.gz LRWVUDYWTYHLBA-BXUZGUMPSA-N 2 0 233.359 1.961 20 0 BDADRP CC[C@H]1CN(CC(C)(C)[NH3+])CCCO1 ZINC000261528763 135153993 /nfs/dbraw/zinc/15/39/93/135153993.db2.gz NPJSVJWZVDWFCK-JTQLQIEISA-N 2 0 200.326 1.225 20 0 BDADRP C[C@@]1(CN2CC[C@](C)(F)C2)CC[NH2+]C1 ZINC000261528752 135154266 /nfs/dbraw/zinc/15/42/66/135154266.db2.gz VZXFHDHCZSYDRT-MNOVXSKESA-N 2 0 200.301 1.420 20 0 BDADRP CC[C@H]([NH2+]Cc1cccc2nccn21)[C@@H](C)O ZINC000449547004 388229370 /nfs/dbraw/zinc/22/93/70/388229370.db2.gz WTQKPSVEWKFFBO-PWSUYJOCSA-N 2 0 233.315 1.583 20 0 BDADRP CC[C@H]([NH3+])CNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000449600298 388240138 /nfs/dbraw/zinc/24/01/38/388240138.db2.gz NWDHFKNBSWUOSO-SDDRHHMPSA-N 2 0 241.379 1.138 20 0 BDADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000449619010 388244110 /nfs/dbraw/zinc/24/41/10/388244110.db2.gz MWYVHRZQQXHLLS-ZWNOBZJWSA-N 2 0 249.358 1.718 20 0 BDADRP CCCC[C@@H]([NH3+])C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000449622164 388244672 /nfs/dbraw/zinc/24/46/72/388244672.db2.gz CSLVEJPFPQNQSU-CYBMUJFWSA-N 2 0 249.358 1.862 20 0 BDADRP CC[C@@H](C)[NH+]1CCN(Cc2cncn2C)CC1 ZINC000449625001 388245510 /nfs/dbraw/zinc/24/55/10/388245510.db2.gz QPWPMGWJEAVFJH-GFCCVEGCSA-N 2 0 236.363 1.336 20 0 BDADRP C[C@H]1[C@H](O)CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000451463252 388275627 /nfs/dbraw/zinc/27/56/27/388275627.db2.gz UVEGWHZCQJEFHR-UONOGXRCSA-N 2 0 240.391 1.708 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000300306048 388358904 /nfs/dbraw/zinc/35/89/04/388358904.db2.gz FITCLJZJZXGDMD-MCIONIFRSA-N 2 0 240.391 1.469 20 0 BDADRP COC[C@H](C)C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000163322818 388361241 /nfs/dbraw/zinc/36/12/41/388361241.db2.gz BYLKVGZRLDYSCQ-CHWSQXEVSA-N 2 0 228.380 1.589 20 0 BDADRP COC[C@H](C)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000572643164 388363143 /nfs/dbraw/zinc/36/31/43/388363143.db2.gz LLRSYORXGJRULH-MGPQQGTHSA-N 2 0 240.391 1.590 20 0 BDADRP Cc1ccccc1C[C@H](C)[NH2+][C@@H](C)CN ZINC000235144242 388364835 /nfs/dbraw/zinc/36/48/35/388364835.db2.gz PIBVJKMFCMZMPQ-RYUDHWBXSA-N 2 0 206.333 1.863 20 0 BDADRP CC(=O)Nc1cccc([C@H](C)N[C@H](C)C[NH3+])c1 ZINC000235459355 388369371 /nfs/dbraw/zinc/36/93/71/388369371.db2.gz SZVJMZCQSLEUID-ZJUUUORDSA-N 2 0 235.331 1.643 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H](O)C1CCC1 ZINC000316092873 388406038 /nfs/dbraw/zinc/40/60/38/388406038.db2.gz BMICRERHZPOPRA-RTXFEEFZSA-N 2 0 226.364 1.077 20 0 BDADRP [NH3+]CCCCC(=O)Nc1cccc(C[NH3+])c1 ZINC000646579095 388388756 /nfs/dbraw/zinc/38/87/56/388388756.db2.gz QPEDXQDMFPEBND-UHFFFAOYSA-N 2 0 221.304 1.213 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CCOC1(C)C)C[NH+](C)C ZINC000336901789 388441744 /nfs/dbraw/zinc/44/17/44/388441744.db2.gz SWUKTWPQCDEHED-GHMZBOCLSA-N 2 0 214.353 1.341 20 0 BDADRP C[C@@H]1CSC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322705328 388443784 /nfs/dbraw/zinc/44/37/84/388443784.db2.gz MUMGSSRYJHPZGV-JVGWCMFKSA-N 2 0 240.416 1.953 20 0 BDADRP CC(C)C(C[NH2+]C[C@](C)(O)C[NH+](C)C)C(C)C ZINC000393848619 388444259 /nfs/dbraw/zinc/44/42/59/388444259.db2.gz OQUMIZZJTRGXCZ-AWEZNQCLSA-N 2 0 244.423 1.817 20 0 BDADRP C[C@@H]([NH3+])CC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000646735669 388446836 /nfs/dbraw/zinc/44/68/36/388446836.db2.gz UXEFNLVQLPDCHP-SECBINFHSA-N 2 0 233.315 1.008 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCOC2)[C@@H](C)C1 ZINC000309633589 388459897 /nfs/dbraw/zinc/45/98/97/388459897.db2.gz IQCAWIRCGCJZGF-RWMBFGLXSA-N 2 0 226.364 1.485 20 0 BDADRP CCSCC[C@@H](C)N(C)C[C@@H](C)[NH3+] ZINC000336668359 388461491 /nfs/dbraw/zinc/46/14/91/388461491.db2.gz WYCFYXPAALKTGT-NXEZZACHSA-N 2 0 204.383 1.797 20 0 BDADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccccn2)C[C@@H]1C[NH3+] ZINC000397405822 388466843 /nfs/dbraw/zinc/46/68/43/388466843.db2.gz SZQDZOOSZMHUPF-UPJWGTAASA-N 2 0 233.359 1.887 20 0 BDADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000336718136 388467681 /nfs/dbraw/zinc/46/76/81/388467681.db2.gz QWEXBSGGMWSXFM-JSGCOSHPSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]1C[C@H]([NH3+])CCN1CCC[NH+]1CCCCC1 ZINC000575998885 388478257 /nfs/dbraw/zinc/47/82/57/388478257.db2.gz PTWUTWSNGQOZBN-UONOGXRCSA-N 2 0 239.407 1.674 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCCN1C)c1cn[nH]c1 ZINC000296045487 388416527 /nfs/dbraw/zinc/41/65/27/388416527.db2.gz QWNHLWWXYMNBRD-MWLCHTKSSA-N 2 0 208.309 1.155 20 0 BDADRP FC(F)[C@H]1C[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000393413503 388429273 /nfs/dbraw/zinc/42/92/73/388429273.db2.gz BUTLZFDGGLYDDM-NAKRPEOUSA-N 2 0 230.302 1.856 20 0 BDADRP C[C@@H](C1CC1)[N@H+](CCOCC[NH3+])C1CC1 ZINC000261539791 135178732 /nfs/dbraw/zinc/17/87/32/135178732.db2.gz DDSPKUOUKYWYOU-JTQLQIEISA-N 2 0 212.337 1.225 20 0 BDADRP COCC1(CC[NH2+][C@H](C)CCCC[NH3+])CC1 ZINC000517146592 388539375 /nfs/dbraw/zinc/53/93/75/388539375.db2.gz CQVYYFFPDPJDKF-GFCCVEGCSA-N 2 0 228.380 1.910 20 0 BDADRP C[C@H](O)CCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000517273377 388545780 /nfs/dbraw/zinc/54/57/80/388545780.db2.gz LUPFQJCQAZSKJK-LBPRGKRZSA-N 2 0 240.391 1.611 20 0 BDADRP CC(C)[N@H+](C)CC1CC[NH+](CC(C)(C)O)CC1 ZINC000517320801 388546661 /nfs/dbraw/zinc/54/66/61/388546661.db2.gz LPDSOOAJJNGHQI-UHFFFAOYSA-N 2 0 242.407 1.810 20 0 BDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CC[C@H]1CCOC1 ZINC000339409393 388482166 /nfs/dbraw/zinc/48/21/66/388482166.db2.gz LZIWAJMCJBPEEM-QWHCGFSZSA-N 2 0 228.380 1.718 20 0 BDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@H](C)[NH+](C)C)cc1 ZINC000649273779 388484608 /nfs/dbraw/zinc/48/46/08/388484608.db2.gz FMEPMGRJIHRIEA-MNOVXSKESA-N 2 0 249.358 1.273 20 0 BDADRP C[C@@H]([NH2+]CC[C@H](C)CCO)[C@H]1CCCC[NH2+]1 ZINC000397649301 388487336 /nfs/dbraw/zinc/48/73/36/388487336.db2.gz WBZVPNXYIDESPT-YNEHKIRRSA-N 2 0 228.380 1.515 20 0 BDADRP c1cnc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000341879431 388496628 /nfs/dbraw/zinc/49/66/28/388496628.db2.gz UUGHODMPJPHRIA-GXTWGEPZSA-N 2 0 246.358 1.236 20 0 BDADRP CCC[NH+]1CCC([NH2+]CCC2(O)CCC2)CC1 ZINC000342808272 388498424 /nfs/dbraw/zinc/49/84/24/388498424.db2.gz AYRGBMINSSICBB-UHFFFAOYSA-N 2 0 240.391 1.756 20 0 BDADRP CCC[NH+]1CCC([NH2+]CC[C@H](C)CCO)CC1 ZINC000397792860 388499606 /nfs/dbraw/zinc/49/96/06/388499606.db2.gz TVMONWJBZVTFHQ-ZDUSSCGKSA-N 2 0 242.407 1.859 20 0 BDADRP C[C@H](CCO)CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000397800444 388500317 /nfs/dbraw/zinc/50/03/17/388500317.db2.gz WCJJSXUQVIGSTF-IGQOVBAYSA-N 2 0 242.407 1.713 20 0 BDADRP COC[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)C1CC1 ZINC000398035129 388515448 /nfs/dbraw/zinc/51/54/48/388515448.db2.gz PHAXHACASGDFRU-OBJOEFQTSA-N 2 0 240.391 1.766 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]CC2CC[NH2+]CC2)c2ccccc21 ZINC000516921188 388524366 /nfs/dbraw/zinc/52/43/66/388524366.db2.gz JHULSIHMJJOJQI-GJZGRUSLSA-N 3 0 245.370 1.720 20 0 BDADRP CSC[C@@H](O)C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000516921788 388525052 /nfs/dbraw/zinc/52/50/52/388525052.db2.gz MMERRXQJUOJTIP-RYUDHWBXSA-N 2 0 246.420 1.032 20 0 BDADRP CC[N@H+](C)C[C@H](O)CN1CCC[C@@](C)(F)C1 ZINC000516935969 388526391 /nfs/dbraw/zinc/52/63/91/388526391.db2.gz OOSQOQIKLGAEJJ-NWDGAFQWSA-N 2 0 232.343 1.123 20 0 BDADRP CCC(CC)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186601056 388601808 /nfs/dbraw/zinc/60/18/08/388601808.db2.gz OENPPCMXGCOWPE-ZDUSSCGKSA-N 2 0 241.423 1.791 20 0 BDADRP C[C@H]1C[N@H+](CCOc2ccccc2)C[C@H]1C[NH3+] ZINC000631842927 388610836 /nfs/dbraw/zinc/61/08/36/388610836.db2.gz HMBYCCJLCRYWGS-QWHCGFSZSA-N 2 0 234.343 1.592 20 0 BDADRP C[C@@H](Cn1cccn1)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000137438042 388561348 /nfs/dbraw/zinc/56/13/48/388561348.db2.gz UCEJQZSSGDBJCG-STQMWFEESA-N 2 0 248.374 1.346 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C[C@H](O)Cc2ccccc2)C1 ZINC000521271338 388567616 /nfs/dbraw/zinc/56/76/16/388567616.db2.gz GQYMPYXRLDRSHO-RRFJBIMHSA-N 2 0 248.370 1.450 20 0 BDADRP Cc1cnccc1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000385061713 388573506 /nfs/dbraw/zinc/57/35/06/388573506.db2.gz UPBDZKFUKABZEG-VXGBXAGGSA-N 2 0 219.332 1.559 20 0 BDADRP Cc1cnccc1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000385061558 388573858 /nfs/dbraw/zinc/57/38/58/388573858.db2.gz UMRSQPAGKXKTSU-YPMHNXCESA-N 2 0 219.332 1.559 20 0 BDADRP CC(C)[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000248142087 388674263 /nfs/dbraw/zinc/67/42/63/388674263.db2.gz PTJYATGIGQCPLR-JHJVBQTASA-N 2 0 228.380 1.466 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+][C@@H]2CCC[C@@H]2F)C1 ZINC000522014325 388674556 /nfs/dbraw/zinc/67/45/56/388674556.db2.gz RYMGLNWJUBUONJ-ZRUFSTJUSA-N 2 0 200.301 1.737 20 0 BDADRP CC[N@@H+]1CC[C@@H](NCC(C)(C)[NH+](C)C)[C@H](C)C1 ZINC000152602107 388678929 /nfs/dbraw/zinc/67/89/29/388678929.db2.gz QQFMOCPIFYZJDS-CHWSQXEVSA-N 2 0 241.423 1.647 20 0 BDADRP Oc1cccc(CN[C@H]2CC[NH2+]C23CCC3)c1 ZINC000530178767 388622227 /nfs/dbraw/zinc/62/22/27/388622227.db2.gz QSCBPVTZJKSDQZ-ZDUSSCGKSA-N 2 0 232.327 1.766 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)C1C[NH2+]C1 ZINC000530210048 388628100 /nfs/dbraw/zinc/62/81/00/388628100.db2.gz KTAQMTQDZWSACZ-QCNOEVLYSA-N 2 0 208.349 1.620 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@@H]1CCCOC1 ZINC000530215795 388628682 /nfs/dbraw/zinc/62/86/82/388628682.db2.gz JAMPDXAHBXCSRD-YNEHKIRRSA-N 2 0 238.375 1.676 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@H]1CCCOC1 ZINC000530215793 388628916 /nfs/dbraw/zinc/62/89/16/388628916.db2.gz JAMPDXAHBXCSRD-RWMBFGLXSA-N 2 0 238.375 1.676 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)[C@H]1C[C@H]1C ZINC000530216470 388629864 /nfs/dbraw/zinc/62/98/64/388629864.db2.gz PDVIIQJZFPALBC-WYUUTHIRSA-N 2 0 208.349 1.905 20 0 BDADRP C[C@@H]([NH2+]Cc1ccc2cn(C)nc2c1)C1C[NH2+]C1 ZINC000530217121 388630461 /nfs/dbraw/zinc/63/04/61/388630461.db2.gz FVSWJNVIKQSLSY-SNVBAGLBSA-N 2 0 244.342 1.271 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)[C@H]1C ZINC000530216039 388630758 /nfs/dbraw/zinc/63/07/58/388630758.db2.gz MCUPNQKACGFBTD-NOOOWODRSA-N 2 0 208.349 1.905 20 0 BDADRP C[N@H+](CC[C@@H]1CCCO1)C[C@H]1CCC[NH+](C)C1 ZINC000189378265 388631778 /nfs/dbraw/zinc/63/17/78/388631778.db2.gz WVBDELDAFGVLOG-KBPBESRZSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CC=CCC1)C1C[NH2+]C1 ZINC000530219926 388631820 /nfs/dbraw/zinc/63/18/20/388631820.db2.gz LHTMLUOYAJLJMU-NWDGAFQWSA-N 2 0 208.349 1.930 20 0 BDADRP COc1ccc(CC[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)cn1 ZINC000530221876 388632885 /nfs/dbraw/zinc/63/28/85/388632885.db2.gz PIFLHQBXFJIOSO-WCQYABFASA-N 2 0 249.358 1.220 20 0 BDADRP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000530222903 388633995 /nfs/dbraw/zinc/63/39/95/388633995.db2.gz IJOYYXJGFIUABG-HDLKOFKZSA-N 2 0 226.364 1.658 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2CC[NH2+]C23CCC3)CC[N@@H+]1C ZINC000530222763 388634554 /nfs/dbraw/zinc/63/45/54/388634554.db2.gz RLYCTXTYNUNXGK-UPJWGTAASA-N 2 0 237.391 1.343 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCOC)[C@@H](C)C1 ZINC000246440023 388636664 /nfs/dbraw/zinc/63/66/64/388636664.db2.gz DLSVTZIRRIHKAE-STQMWFEESA-N 2 0 228.380 1.685 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ncccc1F ZINC000530236473 388638078 /nfs/dbraw/zinc/63/80/78/388638078.db2.gz SVXMNAUCBOSDFK-WDEREUQCSA-N 2 0 237.322 1.871 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@H]1CCOC1(C)C ZINC000328368023 388641669 /nfs/dbraw/zinc/64/16/69/388641669.db2.gz HPTKCPUPOJXXDI-NSHDSACASA-N 2 0 214.353 1.485 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H]1COc2ccccc2C1 ZINC000328493556 388644716 /nfs/dbraw/zinc/64/47/16/388644716.db2.gz TUGKRJLTAGSMEU-DGCLKSJQSA-N 2 0 234.343 1.707 20 0 BDADRP CC(C)COCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000222914063 388646115 /nfs/dbraw/zinc/64/61/15/388646115.db2.gz GUAFHDFOOHVJFA-NWDGAFQWSA-N 2 0 214.353 1.328 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])[C@@H]1CCCO1 ZINC000251675600 388648525 /nfs/dbraw/zinc/64/85/25/388648525.db2.gz VJVWCDLRHLOOMC-RVMXOQNASA-N 2 0 226.364 1.661 20 0 BDADRP C[C@H](O)[C@H](C)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000516564374 388659260 /nfs/dbraw/zinc/65/92/60/388659260.db2.gz BVNZABOQVPBDRG-AVGNSLFASA-N 2 0 228.380 1.610 20 0 BDADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)[C@H](C)O)CC1 ZINC000517125694 388661030 /nfs/dbraw/zinc/66/10/30/388661030.db2.gz AJLWYTZLEXNAKW-RYUDHWBXSA-N 2 0 228.380 1.467 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCOC2)C1 ZINC000250561109 388737751 /nfs/dbraw/zinc/73/77/51/388737751.db2.gz CLYMYOINCGVENM-NEPJUHHUSA-N 2 0 212.337 1.097 20 0 BDADRP CC[NH+](CC)CCN[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000128184758 388740413 /nfs/dbraw/zinc/74/04/13/388740413.db2.gz MXMFYHINECXIKU-CHWSQXEVSA-N 2 0 239.407 1.543 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCCO1 ZINC000250862120 388741435 /nfs/dbraw/zinc/74/14/35/388741435.db2.gz QLFTYWJZDOZHEF-TUAOUCFPSA-N 2 0 212.337 1.273 20 0 BDADRP CCSCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261527424 388743303 /nfs/dbraw/zinc/74/33/03/388743303.db2.gz BALVWQWTFLTEGA-GARJFASQSA-N 2 0 214.378 1.409 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000126269135 388692306 /nfs/dbraw/zinc/69/23/06/388692306.db2.gz MUYLLRQJQFBHQE-OCCSQVGLSA-N 3 0 239.407 1.258 20 0 BDADRP CC[NH2+]Cc1ccccc1NC(=O)CC[C@@H](C)[NH3+] ZINC000193170092 388694181 /nfs/dbraw/zinc/69/41/81/388694181.db2.gz KFWJNUGXOKNOCB-LLVKDONJSA-N 2 0 249.358 1.862 20 0 BDADRP CC(C)(C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000226062217 388699092 /nfs/dbraw/zinc/69/90/92/388699092.db2.gz BIBQEOWUDDCYOX-UTUOFQBUSA-N 2 0 228.380 1.643 20 0 BDADRP C[NH+](C)CCSCC[C@@H]1CCC[N@@H+]1C ZINC000126768606 388701912 /nfs/dbraw/zinc/70/19/12/388701912.db2.gz JSQVTBOWZCSRDE-NSHDSACASA-N 2 0 216.394 1.766 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000249088821 388708144 /nfs/dbraw/zinc/70/81/44/388708144.db2.gz NPSLIAGNODBOFK-DGTMBMJNSA-N 2 0 240.391 1.466 20 0 BDADRP C[N@@H+]1CCCC[C@H]1CCN1CCC[NH+](C)CC1 ZINC000552558424 388726049 /nfs/dbraw/zinc/72/60/49/388726049.db2.gz BKCIYVFFUUPVBO-AWEZNQCLSA-N 2 0 239.407 1.498 20 0 BDADRP CC[C@H](O)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000253034673 388799020 /nfs/dbraw/zinc/79/90/20/388799020.db2.gz VTIFRUBFSBJSOY-ZDEQEGDKSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)CCO1 ZINC000252143670 388761194 /nfs/dbraw/zinc/76/11/94/388761194.db2.gz NOVIOXLJPNQALI-JHJVBQTASA-N 2 0 226.364 1.485 20 0 BDADRP CCOCCCC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000252710641 388773584 /nfs/dbraw/zinc/77/35/84/388773584.db2.gz HGOGWEQAJWXORT-OLZOCXBDSA-N 2 0 228.380 1.733 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCOC2)CC1 ZINC000128582139 388774274 /nfs/dbraw/zinc/77/42/74/388774274.db2.gz JOTDWFFHVQGFMJ-QWHCGFSZSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252715542 388774697 /nfs/dbraw/zinc/77/46/97/388774697.db2.gz VYMZKDPGZQTBDJ-UTUOFQBUSA-N 2 0 214.353 1.077 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H](O)C(C)(C)C ZINC000252713995 388775539 /nfs/dbraw/zinc/77/55/39/388775539.db2.gz QTHJVLOOGNIUDR-IJLUTSLNSA-N 2 0 228.380 1.323 20 0 BDADRP C[C@H](C[NH2+]Cc1ccc2[nH]cnc2c1)C[NH+](C)C ZINC000555582193 388855179 /nfs/dbraw/zinc/85/51/79/388855179.db2.gz DQCXVMUHHXNVAQ-LLVKDONJSA-N 2 0 246.358 1.850 20 0 BDADRP CC[C@H]1C[C@H]([NH2+]C[C@H](C)N(C)C)CCO1 ZINC000648771018 388859524 /nfs/dbraw/zinc/85/95/24/388859524.db2.gz PNOIEOFOBMMHIA-TUAOUCFPSA-N 2 0 214.353 1.484 20 0 BDADRP CC1(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)CCOCC1 ZINC000233029784 388860807 /nfs/dbraw/zinc/86/08/07/388860807.db2.gz QMQXUEVACWXPQZ-RYUDHWBXSA-N 2 0 226.364 1.663 20 0 BDADRP CC1(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CCOCC1 ZINC000233023022 388861039 /nfs/dbraw/zinc/86/10/39/388861039.db2.gz QMQXUEVACWXPQZ-NWDGAFQWSA-N 2 0 226.364 1.663 20 0 BDADRP CO[C@@H]1CC[C@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000564440436 388875797 /nfs/dbraw/zinc/87/57/97/388875797.db2.gz FHHOQZCXAZQGPQ-MROQNXINSA-N 2 0 226.364 1.532 20 0 BDADRP CCN(C)C[C@H](O)C[N@H+](C)C1(C)CCCC1 ZINC000565156456 388918939 /nfs/dbraw/zinc/91/89/39/388918939.db2.gz JMWMOFSNBAWDHD-LBPRGKRZSA-N 2 0 228.380 1.564 20 0 BDADRP [NH3+]CC1(Cc2nc(C3([NH3+])CCCC3)no2)CC1 ZINC000565656774 388960326 /nfs/dbraw/zinc/96/03/26/388960326.db2.gz FNFWOZCOQVZHKB-UHFFFAOYSA-N 2 0 236.319 1.079 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCNc2ccccn2)C1 ZINC000565843431 388974265 /nfs/dbraw/zinc/97/42/65/388974265.db2.gz NTNYDCSNKZMIEW-RYUDHWBXSA-N 2 0 234.347 1.353 20 0 BDADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NC(C)(C)CCC[NH3+] ZINC000566010711 388983004 /nfs/dbraw/zinc/98/30/04/388983004.db2.gz WEHRGDMZNZXGGQ-GHMZBOCLSA-N 2 0 241.379 1.008 20 0 BDADRP Cc1ccoc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271771792 389024408 /nfs/dbraw/zinc/02/44/08/389024408.db2.gz BTHPITIYNKWBOZ-UHFFFAOYSA-N 2 0 220.316 1.940 20 0 BDADRP COCCCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400423313 533265435 /nfs/dbraw/zinc/26/54/35/533265435.db2.gz XPNHJQZQHVZTCF-WDEREUQCSA-N 2 0 200.326 1.143 20 0 BDADRP COCCCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400423312 533265659 /nfs/dbraw/zinc/26/56/59/533265659.db2.gz XPNHJQZQHVZTCF-QWRGUYRKSA-N 2 0 200.326 1.143 20 0 BDADRP C(C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)[C@@H]1CCOC1 ZINC000334321210 533358169 /nfs/dbraw/zinc/35/81/69/533358169.db2.gz HTIRTGKIYJBANE-KGLIPLIRSA-N 2 0 238.375 1.489 20 0 BDADRP C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)[C@H]1CCCCO1 ZINC000257742544 533364470 /nfs/dbraw/zinc/36/44/70/533364470.db2.gz ZDVHIDJLPDZWOM-ZIAGYGMSSA-N 2 0 238.375 1.631 20 0 BDADRP C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)[C@@H]1CCOC1 ZINC000261997214 533365713 /nfs/dbraw/zinc/36/57/13/533365713.db2.gz KYECFSVHPLATGM-CHWSQXEVSA-N 2 0 224.348 1.098 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000400698871 533368505 /nfs/dbraw/zinc/36/85/05/533368505.db2.gz JPXXKUWCIOKZKV-YPMHNXCESA-N 3 0 225.380 1.058 20 0 BDADRP C([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C1CC1 ZINC000086494191 533370804 /nfs/dbraw/zinc/37/08/04/533370804.db2.gz FUDNZJUIIJAXLA-FRRDWIJNSA-N 2 0 208.349 1.907 20 0 BDADRP C([C@H]1CCSC1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261537688 533377225 /nfs/dbraw/zinc/37/72/25/533377225.db2.gz WDOVRKWXQRPASI-UTUOFQBUSA-N 2 0 226.389 1.281 20 0 BDADRP C[C@@H](CCCC[NH3+])NC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000494669509 533536336 /nfs/dbraw/zinc/53/63/36/533536336.db2.gz BXVWVFWJSKLNPY-AAEUAGOBSA-N 2 0 241.379 1.010 20 0 BDADRP C[C@@H](CCCC[NH3+])NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000495147013 533537213 /nfs/dbraw/zinc/53/72/13/533537213.db2.gz NCZRVRLKGYAOIV-WCQYABFASA-N 2 0 241.379 1.152 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CCC[C@@H]1CCOC1 ZINC000401945491 533537894 /nfs/dbraw/zinc/53/78/94/533537894.db2.gz VURWICOZCKESQH-QWHCGFSZSA-N 2 0 228.380 1.910 20 0 BDADRP [NH3+]C[C@H]1CN(c2cc[nH+]c3ccccc32)CCO1 ZINC000041720084 132224348 /nfs/dbraw/zinc/22/43/48/132224348.db2.gz VLYHGOQFLPICAR-NSHDSACASA-N 2 0 243.310 1.399 20 0 BDADRP Cc1cc(N2CC[N@@H+](C)C[C@@H]2C)cc[nH+]1 ZINC000336355692 132246946 /nfs/dbraw/zinc/24/69/46/132246946.db2.gz ARMQWHAWSCKVPR-NSHDSACASA-N 2 0 205.305 1.530 20 0 BDADRP Cc1cc(N2CC[C@H]([NH3+])[C@H](C)C2)cc[nH+]1 ZINC000229576610 132291873 /nfs/dbraw/zinc/29/18/73/132291873.db2.gz DBPBHHBDZMQKGD-SKDRFNHKSA-N 2 0 205.305 1.564 20 0 BDADRP Cc1cc(N2CC[NH2+]C(C)(C)C2)cc[nH+]1 ZINC000229535464 132442305 /nfs/dbraw/zinc/44/23/05/132442305.db2.gz GYDBOVZCQFEWAC-UHFFFAOYSA-N 2 0 205.305 1.578 20 0 BDADRP CCC[C@H](O)C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000167556410 134014752 /nfs/dbraw/zinc/01/47/52/134014752.db2.gz SCGKVLOVEXIXBF-SRVKXCTJSA-N 2 0 214.353 1.077 20 0 BDADRP CC[C@@H](F)CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000336125082 134092407 /nfs/dbraw/zinc/09/24/07/134092407.db2.gz ZPOLEWSTYKDLMH-VXGBXAGGSA-N 2 0 214.328 1.762 20 0 BDADRP CC(C)(C[NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000336124205 134092692 /nfs/dbraw/zinc/09/26/92/134092692.db2.gz JUKFLDKQPUTTON-UHFFFAOYSA-N 2 0 247.342 1.256 20 0 BDADRP Nc1cccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000336129073 134093688 /nfs/dbraw/zinc/09/36/88/134093688.db2.gz DGMNUKNCKMRMQC-UHFFFAOYSA-N 2 0 245.370 1.844 20 0 BDADRP CC[N@H+](CCN[C@@H]1CCC[NH2+]CC1)C1CC1 ZINC000217415629 134247107 /nfs/dbraw/zinc/24/71/07/134247107.db2.gz BNPHKHRKYREHFA-GFCCVEGCSA-N 2 0 225.380 1.202 20 0 BDADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1ccncc1 ZINC000219304761 134281633 /nfs/dbraw/zinc/28/16/33/134281633.db2.gz ISNJPAODTDEDNJ-LBPRGKRZSA-N 2 0 237.347 1.310 20 0 BDADRP CSCC[C@@H](C)[N@H+](C)CC(C)(C)[NH3+] ZINC000220376927 134306128 /nfs/dbraw/zinc/30/61/28/134306128.db2.gz MEWOGGZDPRZGLL-SECBINFHSA-N 2 0 204.383 1.797 20 0 BDADRP COc1ccc(C)cc1C[NH2+][C@H](C)CC[NH3+] ZINC000220524904 134309597 /nfs/dbraw/zinc/30/95/97/134309597.db2.gz ZBKDLHQNNYHPTP-LLVKDONJSA-N 2 0 222.332 1.831 20 0 BDADRP C1C[C@@H]2C[C@H]([NH2+][C@@H]3C[C@H]4CC[C@@H]3O4)CC[N@@H+]2C1 ZINC000178958849 134313715 /nfs/dbraw/zinc/31/37/15/134313715.db2.gz BFROUUUEOMLWIE-KSTCHIGDSA-N 2 0 236.359 1.523 20 0 BDADRP C[N@@H+]1CCC[C@H]2C[NH+](CC(C)(C)O)CC[C@@H]21 ZINC000220947391 134315365 /nfs/dbraw/zinc/31/53/65/134315365.db2.gz GGQHODPQEGBCAE-RYUDHWBXSA-N 2 0 226.364 1.173 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CCCO)CC[N@@H+]1C ZINC000221588301 134325478 /nfs/dbraw/zinc/32/54/78/134325478.db2.gz VBXRCEXIOIQSHG-OLZOCXBDSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@H]1CCC[C@H](CO)[N@@H+]1CCCn1ccnc1 ZINC000181402828 134336043 /nfs/dbraw/zinc/33/60/43/134336043.db2.gz GGSOPCSISLJDLL-QWHCGFSZSA-N 2 0 237.347 1.509 20 0 BDADRP CO[C@H](C)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000182184027 134342362 /nfs/dbraw/zinc/34/23/62/134342362.db2.gz KWIKCIIRNFSLRB-KGLIPLIRSA-N 2 0 240.391 1.972 20 0 BDADRP CC[C@H](CCO)[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000224016352 134344033 /nfs/dbraw/zinc/34/40/33/134344033.db2.gz KTJFARQVGFYOFY-IJLUTSLNSA-N 2 0 226.364 1.362 20 0 BDADRP Cn1nccc1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000227327474 134378297 /nfs/dbraw/zinc/37/82/97/134378297.db2.gz LBECDNXYOKGXEW-UHFFFAOYSA-N 2 0 236.363 1.242 20 0 BDADRP [NH3+]CCCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000227538616 134382636 /nfs/dbraw/zinc/38/26/36/134382636.db2.gz IJELGDJMEFEGSI-NWDGAFQWSA-N 2 0 205.305 1.070 20 0 BDADRP C[C@@H](C[NH2+]CC1(C)COC1)C[NH+]1CCCCC1 ZINC000227525540 134382658 /nfs/dbraw/zinc/38/26/58/134382658.db2.gz GISKPTJFCMTYDM-ZDUSSCGKSA-N 2 0 240.391 1.735 20 0 BDADRP [NH3+]CCCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227538606 134382890 /nfs/dbraw/zinc/38/28/90/134382890.db2.gz IJELGDJMEFEGSI-VXGBXAGGSA-N 2 0 205.305 1.070 20 0 BDADRP COc1cc(C[N@H+](C)CCC[NH3+])ccc1O ZINC000227742246 134392129 /nfs/dbraw/zinc/39/21/29/134392129.db2.gz KLPAWFBOUMBHSB-UHFFFAOYSA-N 2 0 224.304 1.181 20 0 BDADRP COc1ccc(C[N@H+](C)CCC[NH3+])cc1C ZINC000227742201 134392562 /nfs/dbraw/zinc/39/25/62/134392562.db2.gz XZJHLCYFOGJRLK-UHFFFAOYSA-N 2 0 222.332 1.784 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CC1CCCCC1 ZINC000234780657 134583506 /nfs/dbraw/zinc/58/35/06/134583506.db2.gz ZOBUDPGDRXRFQD-ZDUSSCGKSA-N 2 0 228.380 1.910 20 0 BDADRP CCC(CC)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000129969039 134615227 /nfs/dbraw/zinc/61/52/27/134615227.db2.gz NRUDYAIMCMUJFK-CYBMUJFWSA-N 2 0 228.380 1.469 20 0 BDADRP CC(C)OCC[NH2+]C1CCC([NH3+])CC1 ZINC000158943234 134755494 /nfs/dbraw/zinc/75/54/94/134755494.db2.gz NKZGRFNNBFTXGU-UHFFFAOYSA-N 2 0 200.326 1.271 20 0 BDADRP CC[C@@H](COC)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000070656304 135004469 /nfs/dbraw/zinc/00/44/69/135004469.db2.gz DBFDREWMHHEWHO-LBPRGKRZSA-N 2 0 228.380 1.874 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(OC)CCC2)[C@@H](C)C1 ZINC000248409396 135005960 /nfs/dbraw/zinc/00/59/60/135005960.db2.gz FXFPQRNEHWDHOD-QWHCGFSZSA-N 2 0 240.391 1.875 20 0 BDADRP CO[C@H](C)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000249212493 135035829 /nfs/dbraw/zinc/03/58/29/135035829.db2.gz SPEJUXBDBMSOIX-NNYUYHANSA-N 2 0 214.353 1.340 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)CCOC)C1 ZINC000249806391 135045170 /nfs/dbraw/zinc/04/51/70/135045170.db2.gz FVRNVEJMAWKLLJ-VXGBXAGGSA-N 2 0 214.353 1.343 20 0 BDADRP C[C@H]1CN(C)CC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000235585297 135048102 /nfs/dbraw/zinc/04/81/02/135048102.db2.gz DOALNLRSWXMMOR-STQMWFEESA-N 2 0 225.380 1.012 20 0 BDADRP [NH3+]CCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000250830242 135059742 /nfs/dbraw/zinc/05/97/42/135059742.db2.gz ITWKJRLLQNGQDL-BFHYXJOUSA-N 3 0 239.407 1.626 20 0 BDADRP C[C@H](CCO)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000251201316 135066444 /nfs/dbraw/zinc/06/64/44/135066444.db2.gz KTGCNXWPRLQPKE-ZOBORPQBSA-N 2 0 240.391 1.515 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[N@H+](C)C[C@H]1CCCOC1 ZINC000251416489 135068844 /nfs/dbraw/zinc/06/88/44/135068844.db2.gz OZTUSJLDRGSXEU-CHWSQXEVSA-N 2 0 228.380 1.718 20 0 BDADRP CC[C@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000086435412 135083982 /nfs/dbraw/zinc/08/39/82/135083982.db2.gz MUMMYILTGIJNEO-NSHDSACASA-N 2 0 200.326 1.084 20 0 BDADRP C[N@H+](CCOCC[NH3+])Cc1ccc(F)cc1 ZINC000086435464 135084098 /nfs/dbraw/zinc/08/40/98/135084098.db2.gz WIDKBQIUZQZZIW-UHFFFAOYSA-N 2 0 226.295 1.233 20 0 BDADRP C[C@@H]1CCCC[C@H]1[N@H+](C)CCOCC[NH3+] ZINC000086435554 135084206 /nfs/dbraw/zinc/08/42/06/135084206.db2.gz CXAAFDIWBKRQLY-VXGBXAGGSA-N 2 0 214.353 1.472 20 0 BDADRP C[C@H](C[NH+](C)C)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000252138036 135084512 /nfs/dbraw/zinc/08/45/12/135084512.db2.gz MTROGMRTUGCPBV-IJLUTSLNSA-N 2 0 213.369 1.009 20 0 BDADRP C[C@@H]1CCC[N@H+](CCOCC[NH3+])[C@@H]1C ZINC000086435652 135084721 /nfs/dbraw/zinc/08/47/21/135084721.db2.gz JNVGUBHXAMGNHE-GHMZBOCLSA-N 2 0 200.326 1.082 20 0 BDADRP C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000252166565 135085354 /nfs/dbraw/zinc/08/53/54/135085354.db2.gz QNPRAFJMGYZFPL-VEGXAWMVSA-N 2 0 208.349 1.905 20 0 BDADRP C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000252166563 135085944 /nfs/dbraw/zinc/08/59/44/135085944.db2.gz QNPRAFJMGYZFPL-MLGHIDQZSA-N 2 0 208.349 1.905 20 0 BDADRP CCSCC[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000252688091 135097141 /nfs/dbraw/zinc/09/71/41/135097141.db2.gz NEFYHUHYLDXJSM-QWRGUYRKSA-N 2 0 216.394 1.799 20 0 BDADRP CCC(O)(CC)C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000252709123 135098136 /nfs/dbraw/zinc/09/81/36/135098136.db2.gz CBDZBYNSJHVBKC-NEPJUHHUSA-N 2 0 228.380 1.467 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)CCO)[C@@H](C)C1 ZINC000252711202 135099515 /nfs/dbraw/zinc/09/95/15/135099515.db2.gz IVHRTAKALYNPJQ-AGIUHOORSA-N 2 0 228.380 1.325 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C)[C@H](C)C1 ZINC000252712318 135099991 /nfs/dbraw/zinc/09/99/91/135099991.db2.gz MBVIMNSXNKLOCU-NDBYEHHHSA-N 2 0 210.365 1.962 20 0 BDADRP CCC[C@H](O)C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000252714490 135101264 /nfs/dbraw/zinc/10/12/64/135101264.db2.gz SCGKVLOVEXIXBF-WOPDTQHZSA-N 2 0 214.353 1.077 20 0 BDADRP CN1CC[C@H]([NH2+]C[C@H]2CCOc3ccccc32)C1 ZINC000252748566 135107081 /nfs/dbraw/zinc/10/70/81/135107081.db2.gz UDFBHFBJQJHJEK-OLZOCXBDSA-N 2 0 246.354 1.846 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000252768516 135108174 /nfs/dbraw/zinc/10/81/74/135108174.db2.gz RWLBRHLFSADBKK-BJDJZHNGSA-N 2 0 214.353 1.253 20 0 BDADRP C(C1CC1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000261544814 135109180 /nfs/dbraw/zinc/10/91/80/135109180.db2.gz JCZRISHQHXDPED-CYBMUJFWSA-N 2 0 208.349 1.718 20 0 BDADRP Nc1cccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000261642875 135110979 /nfs/dbraw/zinc/11/09/79/135110979.db2.gz GQCMVPRDSPCLGS-LBPRGKRZSA-N 2 0 219.332 1.440 20 0 BDADRP CCOCC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252844501 135112988 /nfs/dbraw/zinc/11/29/88/135112988.db2.gz DPBFKFOMSOCFDY-SRVKXCTJSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@@H]1CC[N@H+](CCC(F)(F)F)C[C@H]1C[NH3+] ZINC000253191991 135124087 /nfs/dbraw/zinc/12/40/87/135124087.db2.gz MQEDHQMIFYPCHP-RKDXNWHRSA-N 2 0 224.270 1.856 20 0 BDADRP C[NH2+]CCCN(C)[C@@H](C)c1cccc(O)c1 ZINC000087472295 135143398 /nfs/dbraw/zinc/14/33/98/135143398.db2.gz HZDXKSXQHVFNMI-NSHDSACASA-N 2 0 222.332 1.995 20 0 BDADRP Cc1[nH+]ccc(N(C)[C@H](C)C[NH3+])c1Cl ZINC000261527641 135151528 /nfs/dbraw/zinc/15/15/28/135151528.db2.gz DYRGVIGEKFLTOQ-SSDOTTSWSA-N 2 0 213.712 1.827 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@H]2CCSC2)C1 ZINC000261530136 135157176 /nfs/dbraw/zinc/15/71/76/135157176.db2.gz CBVLBBYWTZOBLK-QJPTWQEYSA-N 2 0 228.405 1.799 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+](C)[C@H]2CCSC2)CC[NH2+]1 ZINC000261530262 135157219 /nfs/dbraw/zinc/15/72/19/135157219.db2.gz CDCPFULDZKEZAO-UTUOFQBUSA-N 2 0 228.405 1.812 20 0 BDADRP C[C@H]1[C@H](c2ccccc2)CCN1CC[NH3+] ZINC000261531088 135158765 /nfs/dbraw/zinc/15/87/65/135158765.db2.gz FDNUJEZXVOEUGO-WCQYABFASA-N 2 0 204.317 1.823 20 0 BDADRP COCC(C)(C)C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000261531332 135160314 /nfs/dbraw/zinc/16/03/14/135160314.db2.gz GDQQGIPRXWNGIC-NSHDSACASA-N 2 0 214.353 1.391 20 0 BDADRP C([NH2+]C[C@@H]1CCC[NH2+]C1)C1CCOCC1 ZINC000087647235 135160731 /nfs/dbraw/zinc/16/07/31/135160731.db2.gz XDJDKMKUIGEZSA-GFCCVEGCSA-N 2 0 212.337 1.002 20 0 BDADRP Cc1[nH+]ccc(N2CC[NH2+][C@H](C)C2)c1Cl ZINC000261531600 135160729 /nfs/dbraw/zinc/16/07/29/135160729.db2.gz HGTYHLAFAKMLNZ-MRVPVSSYSA-N 2 0 225.723 1.842 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](CC[C@H]2CCCCO2)C1 ZINC000261532739 135163004 /nfs/dbraw/zinc/16/30/04/135163004.db2.gz DMCQVHFLWACOOH-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+]C[C@]2(C)CCCO2)CC[NH2+]1 ZINC000261532742 135163436 /nfs/dbraw/zinc/16/34/36/135163436.db2.gz DQUMXWBIEFFZFU-UPJWGTAASA-N 2 0 226.364 1.533 20 0 BDADRP c1csc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261535695 135170715 /nfs/dbraw/zinc/17/07/15/135170715.db2.gz PBIOFFALZDHCPV-GHMZBOCLSA-N 2 0 222.357 1.789 20 0 BDADRP Cc1ncccc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000261536286 135171185 /nfs/dbraw/zinc/17/11/85/135171185.db2.gz RCANQEVLQJWZAY-LLVKDONJSA-N 2 0 205.305 1.171 20 0 BDADRP C[C@H]1C[N@H+](CCOCC2CC2)CC[C@H]1[NH3+] ZINC000261536474 135172236 /nfs/dbraw/zinc/17/22/36/135172236.db2.gz RWINLFFEMSWNCZ-CMPLNLGQSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+]C[C@H]2CCCO2)CC[NH2+]1 ZINC000261537068 135172852 /nfs/dbraw/zinc/17/28/52/135172852.db2.gz USODSFRUTGQRPT-GRYCIOLGSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H]([NH3+])CN(C)CC[C@H]1CCCC[N@@H+]1C ZINC000261538214 135175894 /nfs/dbraw/zinc/17/58/94/135175894.db2.gz XMJICVSSEPZGPS-VXGBXAGGSA-N 2 0 213.369 1.140 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2C[NH3+])C1(C)C ZINC000261540140 135179550 /nfs/dbraw/zinc/17/95/50/135179550.db2.gz DWJFCBZOYVZYSH-MROQNXINSA-N 2 0 240.391 1.907 20 0 BDADRP C[C@H](c1cccnc1)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261542124 135182572 /nfs/dbraw/zinc/18/25/72/135182572.db2.gz BVIWQPVHFLACGH-CABNGKKXSA-N 2 0 231.343 1.812 20 0 BDADRP C[C@H](c1cccnc1)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261542127 135182769 /nfs/dbraw/zinc/18/27/69/135182769.db2.gz BVIWQPVHFLACGH-YXCITZCRSA-N 2 0 231.343 1.812 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)CCS1 ZINC000261542677 135183409 /nfs/dbraw/zinc/18/34/09/135183409.db2.gz HDPYCFWMQMUFLH-NEPJUHHUSA-N 2 0 228.405 1.813 20 0 BDADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCc3ccccc3)C[C@H]12 ZINC000261544973 135186115 /nfs/dbraw/zinc/18/61/15/135186115.db2.gz FLEMVSCIIZWRAK-SOUVJXGZSA-N 2 0 230.355 1.898 20 0 BDADRP CC(C)OCCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000084218299 135192688 /nfs/dbraw/zinc/19/26/88/135192688.db2.gz KXJORORWEYVVLU-NEPJUHHUSA-N 2 0 214.353 1.519 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1 ZINC000084217382 135192956 /nfs/dbraw/zinc/19/29/56/135192956.db2.gz YOKGSJPKNLAOBQ-CHWSQXEVSA-N 2 0 204.317 1.904 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccncc1 ZINC000084218149 135193088 /nfs/dbraw/zinc/19/30/88/135193088.db2.gz ZHTRZCMQAJFFHQ-RYUDHWBXSA-N 2 0 205.305 1.299 20 0 BDADRP CC(C)COCCC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000084218188 135193092 /nfs/dbraw/zinc/19/30/92/135193092.db2.gz DSZGUPLDUBHZSE-STQMWFEESA-N 2 0 228.380 1.766 20 0 BDADRP CC(C)CCOCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000084221184 135193379 /nfs/dbraw/zinc/19/33/79/135193379.db2.gz DNFFLKNMIQHJKZ-CHWSQXEVSA-N 2 0 228.380 1.766 20 0 BDADRP C[C@](O)(C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)C1CC1 ZINC000261554407 135193375 /nfs/dbraw/zinc/19/33/75/135193375.db2.gz AXRJIFZGXVVSPN-ILXRZTDVSA-N 2 0 246.354 1.882 20 0 BDADRP C[C@@H](O)C[C@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261553878 135193709 /nfs/dbraw/zinc/19/37/09/135193709.db2.gz OJIYMEXOZSVMDN-TZMCWYRMSA-N 2 0 240.391 1.611 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCc3cccnc3)C[C@H]12 ZINC000261553892 135193795 /nfs/dbraw/zinc/19/37/95/135193795.db2.gz OKVXLMATTDHKSP-HZSPNIEDSA-N 2 0 231.343 1.293 20 0 BDADRP C[C@@H]1OCC[N@H+](CC2CC[NH2+]CC2)[C@H]1C ZINC000261555166 135195072 /nfs/dbraw/zinc/19/50/72/135195072.db2.gz UUNYVOUYWKTEFQ-QWRGUYRKSA-N 2 0 212.337 1.095 20 0 BDADRP Cc1cnn(CC[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000261556401 135195982 /nfs/dbraw/zinc/19/59/82/135195982.db2.gz QNZYYPSDVMVFGV-OLZOCXBDSA-N 2 0 236.363 1.108 20 0 BDADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1cnn(C)c1 ZINC000261556474 135196912 /nfs/dbraw/zinc/19/69/12/135196912.db2.gz QUBVGYSTWYCJOQ-LOWVWBTDSA-N 2 0 236.363 1.588 20 0 BDADRP Cc1cnn(CC[NH2+][C@@H]2CC[NH2+]CC2(C)C)c1 ZINC000261559277 135200451 /nfs/dbraw/zinc/20/04/51/135200451.db2.gz TUCFIESTVSKWLT-GFCCVEGCSA-N 2 0 236.363 1.169 20 0 BDADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccn3)C[C@H]12 ZINC000261561491 135202958 /nfs/dbraw/zinc/20/29/58/135202958.db2.gz APOBXWBPDQGEBP-WCFLWFBJSA-N 2 0 217.316 1.251 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@H](CO)C1 ZINC000261564141 135206205 /nfs/dbraw/zinc/20/62/05/135206205.db2.gz XNCGGGYEBSGQIF-XUXIUFHCSA-N 2 0 240.391 1.645 20 0 BDADRP Cc1cc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc[nH+]1 ZINC000261567764 135209827 /nfs/dbraw/zinc/20/98/27/135209827.db2.gz FBIBDPZHDGVHNO-VXGBXAGGSA-N 2 0 217.316 1.436 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cccnc3)C[C@H]12 ZINC000261572816 135215306 /nfs/dbraw/zinc/21/53/06/135215306.db2.gz IIMMPEVUXFGDGF-FRRDWIJNSA-N 2 0 217.316 1.251 20 0 BDADRP C[C@H](c1ccccn1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261573405 135215900 /nfs/dbraw/zinc/21/59/00/135215900.db2.gz IUFKMNGLDPXLOR-DGCLKSJQSA-N 2 0 219.332 1.813 20 0 BDADRP CC(=O)Nc1ccc(CN2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC000261576585 135217474 /nfs/dbraw/zinc/21/74/74/135217474.db2.gz NUNOKZFIXRSYIL-QMTHXVAHSA-N 2 0 247.342 1.567 20 0 BDADRP COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000261575987 135217876 /nfs/dbraw/zinc/21/78/76/135217876.db2.gz NMHLMKPMEAHNDD-QEJZJMRPSA-N 2 0 246.354 1.864 20 0 BDADRP Cc1cnn(CC[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000261578737 135219726 /nfs/dbraw/zinc/21/97/26/135219726.db2.gz PAHLNELNJYDJQR-MJBXVCDLSA-N 2 0 248.374 1.251 20 0 BDADRP Cc1nn(C)c(C)c1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261579699 135220409 /nfs/dbraw/zinc/22/04/09/135220409.db2.gz PQOGSUVXDXWWLJ-FPMFFAJLSA-N 2 0 248.374 1.206 20 0 BDADRP Cc1c[nH+]ccc1N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261583584 135223957 /nfs/dbraw/zinc/22/39/57/135223957.db2.gz PEOKOIDDPAPPLZ-TUAOUCFPSA-N 2 0 217.316 1.564 20 0 BDADRP COc1ccccc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261584035 135225118 /nfs/dbraw/zinc/22/51/18/135225118.db2.gz SAOPIEFKHCQPEO-FPMFFAJLSA-N 2 0 246.354 1.864 20 0 BDADRP Cc1[nH+]ccc(NC[C@@H]2C[NH2+]CCO2)c1Cl ZINC000261587336 135228489 /nfs/dbraw/zinc/22/84/89/135228489.db2.gz RSYDNZLDXLLISA-VIFPVBQESA-N 2 0 241.722 1.444 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@@H](CO)C1 ZINC000261592386 135233081 /nfs/dbraw/zinc/23/30/81/135233081.db2.gz VUEVQLUBOVSQCW-VOAKCMCISA-N 2 0 226.364 1.255 20 0 BDADRP Cc1ccc(CNCC2([NH3+])CCC2)cc1 ZINC000261592936 135233598 /nfs/dbraw/zinc/23/35/98/135233598.db2.gz WJDPRJCYFIBIIS-UHFFFAOYSA-N 2 0 204.317 1.966 20 0 BDADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC3CCOCC3)C[C@H]12 ZINC000261595254 135235229 /nfs/dbraw/zinc/23/52/29/135235229.db2.gz XZORXWRVIICXJB-RWMBFGLXSA-N 2 0 224.348 1.082 20 0 BDADRP Cc1ccc(CN2CC[C@](C)(C[NH3+])C2)cn1 ZINC000261598476 135236465 /nfs/dbraw/zinc/23/64/65/135236465.db2.gz ZOKMKFOLEPWWHH-CYBMUJFWSA-N 2 0 219.332 1.561 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000261546383 135238331 /nfs/dbraw/zinc/23/83/31/135238331.db2.gz KZVWCQQQRNJSFT-QJPTWQEYSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC[C@H]2CCOC2)C1 ZINC000261546384 135238653 /nfs/dbraw/zinc/23/86/53/135238653.db2.gz KZVWCQQQRNJSFT-SDDRHHMPSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@]1(C[N@@H+]2CCC3(C2)CCOCC3)CC[NH2+]C1 ZINC000261546801 135239488 /nfs/dbraw/zinc/23/94/88/135239488.db2.gz HJJRNNYIMYXVJG-ZDUSSCGKSA-N 2 0 238.375 1.489 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000261547454 135240201 /nfs/dbraw/zinc/24/02/01/135240201.db2.gz ICVYYPDXWJUJMP-CHWSQXEVSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]([NH3+])C(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000261670595 135245050 /nfs/dbraw/zinc/24/50/50/135245050.db2.gz AMVYSXYHCHOBOO-LLVKDONJSA-N 2 0 241.379 1.057 20 0 BDADRP CC[C@@]1(CO)CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261684115 135246013 /nfs/dbraw/zinc/24/60/13/135246013.db2.gz AFCQOLYDOUUFKG-UONOGXRCSA-N 2 0 240.391 1.471 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC[C@H]3CCOC3)C[C@@H]12 ZINC000261751485 135250066 /nfs/dbraw/zinc/25/00/66/135250066.db2.gz CFEMUPDTNBXWJN-UMSGYPCISA-N 2 0 224.348 1.082 20 0 BDADRP C[C@@]1(C[NH3+])CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000261759398 135250732 /nfs/dbraw/zinc/25/07/32/135250732.db2.gz QZTZGVZXSDETHP-ZDUSSCGKSA-N 3 0 225.380 1.047 20 0 BDADRP CC[N@H+](CC[C@H]1CCOC1)[C@@H]1CCC[NH2+]CC1 ZINC000261782117 135252709 /nfs/dbraw/zinc/25/27/09/135252709.db2.gz FLQVKWLWDABNJI-UONOGXRCSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261831543 135255773 /nfs/dbraw/zinc/25/57/73/135255773.db2.gz JCDBMTOAFZEQDD-XJFOESAGSA-N 2 0 240.391 1.467 20 0 BDADRP C[NH2+]CCC1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000261825104 135255995 /nfs/dbraw/zinc/25/59/95/135255995.db2.gz IOWLQAZNTNWJLK-AWEZNQCLSA-N 2 0 240.391 1.735 20 0 BDADRP COC[C@@H]1CCCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261825211 135256138 /nfs/dbraw/zinc/25/61/38/135256138.db2.gz IPVDXDZERZZACS-UONOGXRCSA-N 2 0 240.391 1.735 20 0 BDADRP COC(=O)C[C@@H]1CCC[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261879622 135258906 /nfs/dbraw/zinc/25/89/06/135258906.db2.gz QREZMKGUZROSEW-WCQYABFASA-N 2 0 240.347 1.014 20 0 BDADRP CCc1nc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cs1 ZINC000261893416 135260888 /nfs/dbraw/zinc/26/08/88/135260888.db2.gz AKWQNWPAFSUNIQ-JTQLQIEISA-N 2 0 239.388 1.795 20 0 BDADRP C[N@H+](CC[C@@H]1CCCO1)C[C@@]1(C)CC[NH2+]C1 ZINC000261948455 135265294 /nfs/dbraw/zinc/26/52/94/135265294.db2.gz FQPVHTSTAKKGPG-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP [NH3+]Cc1ccc(-c2noc([C@H]3CC[NH2+]3)n2)cc1 ZINC000261980348 135269021 /nfs/dbraw/zinc/26/90/21/135269021.db2.gz JCYWYWZWPXCYAO-SNVBAGLBSA-N 2 0 230.271 1.230 20 0 BDADRP C[NH2+]CCC1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261991605 135269635 /nfs/dbraw/zinc/26/96/35/135269635.db2.gz MGTOKINDAAJDKX-CQSZACIVSA-N 3 0 239.407 1.308 20 0 BDADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)[C@H]1CCCCO1 ZINC000262001179 135271465 /nfs/dbraw/zinc/27/14/65/135271465.db2.gz PWETVTIEYGOUDY-IKWCTNDRSA-N 2 0 226.364 1.804 20 0 BDADRP C[C@]1(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)CC[NH2+]C1 ZINC000262028446 135274042 /nfs/dbraw/zinc/27/40/42/135274042.db2.gz NUTJSLOUFBOJST-IHRRRGAJSA-N 2 0 238.375 1.344 20 0 BDADRP C[C@@]1(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)CC[NH2+]C1 ZINC000262042152 135275714 /nfs/dbraw/zinc/27/57/14/135275714.db2.gz PGVZXRZRNBGXBL-GXTWGEPZSA-N 2 0 248.374 1.589 20 0 BDADRP C[NH2+]CC1CC[NH+](CCOCC(F)F)CC1 ZINC000262178000 135284182 /nfs/dbraw/zinc/28/41/82/135284182.db2.gz WECQGZFWNXLXQR-UHFFFAOYSA-N 2 0 236.306 1.200 20 0 BDADRP c1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH2+]CC1)CO2 ZINC000262219170 135285380 /nfs/dbraw/zinc/28/53/80/135285380.db2.gz MOKYQQODYCMFCW-CYBMUJFWSA-N 2 0 232.327 1.332 20 0 BDADRP CC(C)[C@H](C(=O)N(C)CC(C)(C)C[NH3+])[NH+](C)C ZINC000262581073 135306665 /nfs/dbraw/zinc/30/66/65/135306665.db2.gz JPVXKTQADXYRTM-LLVKDONJSA-N 2 0 243.395 1.016 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)CCCCCC[NH3+] ZINC000262659505 135312315 /nfs/dbraw/zinc/31/23/15/135312315.db2.gz YNYLHGLMWNPZRK-UHFFFAOYSA-N 2 0 243.395 1.529 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](NC(=O)C2([NH3+])CCCCC2)C1 ZINC000262757962 135317099 /nfs/dbraw/zinc/31/70/99/135317099.db2.gz FAEJVLVDHGRYEL-MNOVXSKESA-N 2 0 239.363 1.034 20 0 BDADRP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000263258727 135342439 /nfs/dbraw/zinc/34/24/39/135342439.db2.gz QQWMPPBTGVMFSI-YIYPIFLZSA-N 2 0 238.375 1.125 20 0 BDADRP CC[N@@H+]1C[C@@H](C)[C@@H](NCCC[NH+](C)C(C)C)C1 ZINC000343153628 135366359 /nfs/dbraw/zinc/36/63/59/135366359.db2.gz DOGZDUYSWFMMMR-KGLIPLIRSA-N 2 0 241.423 1.647 20 0 BDADRP C[N@@H+]1CCCN(CC[NH+]2CCCCC2)CC1 ZINC000334364479 135372750 /nfs/dbraw/zinc/37/27/50/135372750.db2.gz NEAYTXAVZBBJAJ-UHFFFAOYSA-N 2 0 225.380 1.110 20 0 BDADRP C[C@H]1CC[C@@H]([NH2+]CCCN2CC[NH+](C)CC2)C1 ZINC000080427723 135374545 /nfs/dbraw/zinc/37/45/45/135374545.db2.gz VVMJPHKBRUHIDD-UONOGXRCSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C2CCC([NH3+])CC2)CS1 ZINC000086935810 135499480 /nfs/dbraw/zinc/49/94/80/135499480.db2.gz RBKOONRLPRYWDM-SFXRXQKFSA-N 2 0 214.378 1.740 20 0 BDADRP CS[C@H](C)C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000090725154 135553545 /nfs/dbraw/zinc/55/35/45/135553545.db2.gz QIACHTAZQDGYER-MXWKQRLJSA-N 2 0 216.394 1.668 20 0 BDADRP C[C@H]1C[C@@H](NCC2([NH+](C)C)CCC2)CC[N@@H+]1C ZINC000097928132 135632020 /nfs/dbraw/zinc/63/20/20/135632020.db2.gz VHLZMXIQTSRCKU-STQMWFEESA-N 2 0 239.407 1.543 20 0 BDADRP C(C[N@@H+]1CC[C@]2(CCOC2)C1)[C@H]1CCC[NH2+]C1 ZINC000334785344 135812086 /nfs/dbraw/zinc/81/20/86/135812086.db2.gz OMDSCAFZWAFUIS-KGLIPLIRSA-N 2 0 238.375 1.489 20 0 BDADRP C[C@H]([NH3+])c1ccc(C(=O)N(C)C2CC([NH3+])C2)cc1 ZINC000335048093 135873267 /nfs/dbraw/zinc/87/32/67/135873267.db2.gz AZVBOIWXUNBBEZ-ALXWSUNGSA-N 2 0 247.342 1.268 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@@]12CCOC2 ZINC000367456693 136043468 /nfs/dbraw/zinc/04/34/68/136043468.db2.gz CMXBSBHPOZUYTF-AWEZNQCLSA-N 2 0 240.391 1.973 20 0 BDADRP c1nc2c([nH]1)C[C@@H]([NH2+]Cc1cccnc1)CC2 ZINC000335326093 136051841 /nfs/dbraw/zinc/05/18/41/136051841.db2.gz WOSOVTNYEAYPPO-NSHDSACASA-N 2 0 228.299 1.452 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)C(C)C)[C@@H](C)C1 ZINC000348270737 136058870 /nfs/dbraw/zinc/05/88/70/136058870.db2.gz HTOZOMDPEONFDZ-IHRRRGAJSA-N 2 0 242.407 1.571 20 0 BDADRP Cc1cc(N)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000335360863 136080728 /nfs/dbraw/zinc/08/07/28/136080728.db2.gz MRULKPATFLWCAC-YIONKMFJSA-N 2 0 245.370 1.950 20 0 BDADRP C[C@H]1CN(C)C[C@@H]1[NH2+]C1CC(C)(F)C1 ZINC000335374305 136084626 /nfs/dbraw/zinc/08/46/26/136084626.db2.gz SKZCNXNBQGOYHG-XEAZBWPWSA-N 2 0 200.301 1.417 20 0 BDADRP [NH3+]C1CCC([NH2+][C@@H]2C[C@H]2c2ccco2)CC1 ZINC000335565095 136107413 /nfs/dbraw/zinc/10/74/13/136107413.db2.gz NLGPRCZBPLDBAB-KIDURHIOSA-N 2 0 220.316 1.995 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@H]2CCCC[C@@H]2O)CC1 ZINC000335565601 136107532 /nfs/dbraw/zinc/10/75/32/136107532.db2.gz BKUFBOLATHMBLJ-TYUFSLCMSA-N 2 0 226.364 1.397 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000335568337 136108128 /nfs/dbraw/zinc/10/81/28/136108128.db2.gz KCCSQLSVAIEJQQ-OLZOCXBDSA-N 3 0 239.407 1.354 20 0 BDADRP CO[C@@]1(C)CCCN(CC[NH2+]C(C)C)CC1 ZINC000373590315 397777193 /nfs/dbraw/zinc/77/71/93/397777193.db2.gz APCHKUMETDBOHD-ZDUSSCGKSA-N 2 0 228.380 1.875 20 0 BDADRP CC(C)N(C)C[C@@H](C)[NH2+][C@@H]1CCCOCC1 ZINC000309188847 397852201 /nfs/dbraw/zinc/85/22/01/397852201.db2.gz BWKURIZWCQXTPH-CHWSQXEVSA-N 2 0 228.380 1.874 20 0 BDADRP CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000336743832 397867690 /nfs/dbraw/zinc/86/76/90/397867690.db2.gz YNLOJEBZVCKMAO-WISYIIOYSA-N 2 0 228.405 1.953 20 0 BDADRP CN(C[C@H]1CCC[N@@H+]1C)C[C@@H]1CCC[NH+](C)C1 ZINC000649539490 397932782 /nfs/dbraw/zinc/93/27/82/397932782.db2.gz XDJDHCACNSTFRO-ZIAGYGMSSA-N 2 0 239.407 1.354 20 0 BDADRP C(C1CC1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000037916577 397967705 /nfs/dbraw/zinc/96/77/05/397967705.db2.gz UEOSLVOQZQCYDK-QWHCGFSZSA-N 2 0 208.349 1.860 20 0 BDADRP CC[N@H+](CCCn1ccnc1C)CC(C)(C)O ZINC000120517830 397996848 /nfs/dbraw/zinc/99/68/48/397996848.db2.gz XDURISQWSSABKA-UHFFFAOYSA-N 2 0 239.363 1.674 20 0 BDADRP C[C@@H](NCC[C@H]1CCC[NH2+]1)c1c[nH+]ccc1N ZINC000514667450 398045396 /nfs/dbraw/zinc/04/53/96/398045396.db2.gz QJHFYMTVAZBJHO-GHMZBOCLSA-N 2 0 234.347 1.287 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414824288 398045673 /nfs/dbraw/zinc/04/56/73/398045673.db2.gz QPMOQCDKLPMOLG-RFGFWPKPSA-N 2 0 239.407 1.495 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CCCC[C@H]1[C@H](C)[NH3+] ZINC000414648246 398001979 /nfs/dbraw/zinc/00/19/79/398001979.db2.gz AUEURSIASMOHPX-AVGNSLFASA-N 2 0 227.396 1.562 20 0 BDADRP CC(C)O[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000645944874 398005454 /nfs/dbraw/zinc/00/54/54/398005454.db2.gz SEMUQZMPVZWNTN-UONOGXRCSA-N 2 0 240.391 1.970 20 0 BDADRP CC(C)COC1CC[NH+](CCC[NH3+])CC1 ZINC000414689344 398018643 /nfs/dbraw/zinc/01/86/43/398018643.db2.gz KUJSJYJMCBNFQW-UHFFFAOYSA-N 2 0 214.353 1.472 20 0 BDADRP CC(C)n1nccc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414829568 398050482 /nfs/dbraw/zinc/05/04/82/398050482.db2.gz KZYJMSGJGAUFFW-LBPRGKRZSA-N 2 0 236.363 1.553 20 0 BDADRP C[N@H+](CCOc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000382750837 397971640 /nfs/dbraw/zinc/97/16/40/397971640.db2.gz FYAMTUIVYNVONO-ZDUSSCGKSA-N 2 0 234.343 1.607 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+]CC2CC[NH2+]CC2)O1 ZINC000398196702 397981238 /nfs/dbraw/zinc/98/12/38/397981238.db2.gz ZOXZLNYIGGMNHG-ZYHUDNBSSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)NC[C@H]1CCC[NH2+]C1 ZINC000414853935 398060922 /nfs/dbraw/zinc/06/09/22/398060922.db2.gz LNCOVSVLUGYGAB-FRRDWIJNSA-N 2 0 225.380 1.106 20 0 BDADRP CC[NH2+][C@@H](C)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000638048396 398066775 /nfs/dbraw/zinc/06/67/75/398066775.db2.gz OMGLVMRHOVHORG-LBPRGKRZSA-N 2 0 243.395 1.219 20 0 BDADRP CC[N@@H+]1CC[C@H](N[C@@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000414860255 398067138 /nfs/dbraw/zinc/06/71/38/398067138.db2.gz CFXRFLQTAJEATB-UPJWGTAASA-N 2 0 225.380 1.058 20 0 BDADRP COCC[N@H+](C)CCC[NH2+]C1CC(C(C)C)C1 ZINC000488420583 398069834 /nfs/dbraw/zinc/06/98/34/398069834.db2.gz WSPHOOQBIVMSEQ-UHFFFAOYSA-N 2 0 242.407 1.979 20 0 BDADRP CC(C)CC[C@@H]([NH3+])C(=O)N[C@@H](C)CCCC[NH3+] ZINC000638244698 398081461 /nfs/dbraw/zinc/08/14/61/398081461.db2.gz YCEBLNSSLFHNHW-NWDGAFQWSA-N 2 0 243.395 1.384 20 0 BDADRP CC[N@H+](CCc1cncn1C)[C@H]1CCCOC1 ZINC000649755062 398085392 /nfs/dbraw/zinc/08/53/92/398085392.db2.gz DEPSRRWYCIXXLU-ZDUSSCGKSA-N 2 0 237.347 1.464 20 0 BDADRP Cc1noc(C)c1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000345174747 398086929 /nfs/dbraw/zinc/08/69/29/398086929.db2.gz NOJOVYGBXNTTAE-UHFFFAOYSA-N 2 0 235.331 1.643 20 0 BDADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2cnn(C)c2)C[C@H]1C[NH3+] ZINC000397318429 398120018 /nfs/dbraw/zinc/12/00/18/398120018.db2.gz ADHFCUDVSYANCL-NQBHXWOUSA-N 2 0 236.363 1.225 20 0 BDADRP C1CC1[N@@H+]1CC[C@H](NC2CC[NH+](C3CC3)CC2)C1 ZINC000061982831 398109973 /nfs/dbraw/zinc/10/99/73/398109973.db2.gz RVLGLGGEIQGMTE-ZDUSSCGKSA-N 2 0 249.402 1.440 20 0 BDADRP C(C[NH2+]C[C@@H]1CCSC1)C[C@H]1CCC[NH2+]1 ZINC000414969857 398131383 /nfs/dbraw/zinc/13/13/83/398131383.db2.gz UHEARNWMKNPBSE-RYUDHWBXSA-N 2 0 228.405 1.861 20 0 BDADRP COCC(C)(C)C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414948255 398121986 /nfs/dbraw/zinc/12/19/86/398121986.db2.gz LYHVJAXHLXMOIQ-GHMZBOCLSA-N 2 0 214.353 1.389 20 0 BDADRP CCOc1ccc(C[NH2+]C[C@@H](C)C[NH3+])cc1F ZINC000258726761 322876634 /nfs/dbraw/zinc/87/66/34/322876634.db2.gz JNDGBWSUXNAHOO-JTQLQIEISA-N 2 0 240.322 1.909 20 0 BDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)C[NH2+]C(C)C ZINC000037609860 487560024 /nfs/dbraw/zinc/56/00/24/487560024.db2.gz XXGBANNFFOKRFO-LBPRGKRZSA-N 2 0 243.395 1.077 20 0 BDADRP CC(C)OCCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000336755196 167215990 /nfs/dbraw/zinc/21/59/90/167215990.db2.gz XOEAUCIAGXASMI-NWDGAFQWSA-N 2 0 214.353 1.471 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CS1 ZINC000086935236 487591842 /nfs/dbraw/zinc/59/18/42/487591842.db2.gz RNEPDSPDROAUAZ-WOPDTQHZSA-N 2 0 240.416 1.954 20 0 BDADRP CC(C)C[C@@H](CNC(=O)C[NH2+]C(C)C)[NH+](C)C ZINC000040831339 487606420 /nfs/dbraw/zinc/60/64/20/487606420.db2.gz RMDYDHSSOZNFCA-LBPRGKRZSA-N 2 0 243.395 1.077 20 0 BDADRP C[NH2+][C@@H]1CCN(C[C@H](OC)C2CCC2)C1 ZINC000662241049 409528544 /nfs/dbraw/zinc/52/85/44/409528544.db2.gz QGNASPOHFVFIRA-NEPJUHHUSA-N 2 0 212.337 1.095 20 0 BDADRP C1=CCC(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000662267421 409569498 /nfs/dbraw/zinc/56/94/98/409569498.db2.gz VFGLXLDOITXOPN-CYBMUJFWSA-N 2 0 206.333 1.638 20 0 BDADRP CC[C@H]1CCCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249660 409548948 /nfs/dbraw/zinc/54/89/48/409548948.db2.gz RQUZQZVPCSJBKC-QWHCGFSZSA-N 2 0 238.375 1.772 20 0 BDADRP C([C@H]1CCC2(C[NH2+]C2)O1)[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000662255352 409552234 /nfs/dbraw/zinc/55/22/34/409552234.db2.gz OSMFCFXVUMGXMX-JHJVBQTASA-N 2 0 236.359 1.239 20 0 BDADRP CO[C@@H](C[NH+]1CCC(C)([NH3+])CC1)C1CCC1 ZINC000662271465 409574950 /nfs/dbraw/zinc/57/49/50/409574950.db2.gz UUOWTWFBJPXWOP-LBPRGKRZSA-N 2 0 226.364 1.615 20 0 BDADRP Cc1nocc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000662271977 409576382 /nfs/dbraw/zinc/57/63/82/409576382.db2.gz CNFXGVUGTKUHOE-ZDUSSCGKSA-N 2 0 249.358 1.805 20 0 BDADRP CCOC1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000040689527 409825302 /nfs/dbraw/zinc/82/53/02/409825302.db2.gz KSUPUBWGCVSGAW-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP CN1CCC[C@@H]1C[NH2+]C(C)(C)CN1CCCC1 ZINC000308634980 409895703 /nfs/dbraw/zinc/89/57/03/409895703.db2.gz MUPORORSVAOVHH-CYBMUJFWSA-N 2 0 239.407 1.545 20 0 BDADRP CC(C)[C@H](CO)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000348331805 410247722 /nfs/dbraw/zinc/24/77/22/410247722.db2.gz KMKLOOVBFXPAPF-ZDUSSCGKSA-N 2 0 242.407 1.713 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]Cc1cccc2c1CCC2 ZINC000650703660 410332405 /nfs/dbraw/zinc/33/24/05/410332405.db2.gz KSDKEBJLLMJHHH-NSHDSACASA-N 2 0 218.344 1.860 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](Cc2cccc3c2CCC3)C1 ZINC000650702737 410332749 /nfs/dbraw/zinc/33/27/49/410332749.db2.gz RUJPWXDCTJKOAE-LBPRGKRZSA-N 2 0 230.355 1.956 20 0 BDADRP [NH3+]CC1(CC[NH2+]Cc2cccnc2)CC1 ZINC000650712003 410341320 /nfs/dbraw/zinc/34/13/20/410341320.db2.gz MFZFJRPYSHQPFA-UHFFFAOYSA-N 2 0 205.305 1.300 20 0 BDADRP [NH3+]CC1(CC[NH2+]Cc2ccncc2)CC1 ZINC000650712011 410341574 /nfs/dbraw/zinc/34/15/74/410341574.db2.gz MSEFZVREDYWEBP-UHFFFAOYSA-N 2 0 205.305 1.300 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]CCC2(C[NH3+])CC2)CC1 ZINC000650713431 410345062 /nfs/dbraw/zinc/34/50/62/410345062.db2.gz SIYBROCBNDBFFO-UHFFFAOYSA-N 3 0 239.407 1.578 20 0 BDADRP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650714105 410347514 /nfs/dbraw/zinc/34/75/14/410347514.db2.gz RLSNTVSNMKKYFD-NWDGAFQWSA-N 3 0 225.380 1.236 20 0 BDADRP C[C@H](CO)C1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000650714927 410347672 /nfs/dbraw/zinc/34/76/72/410347672.db2.gz HPZMFVYAMXXKCE-OCCSQVGLSA-N 2 0 240.391 1.326 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+]C2CCOCC2)c(F)c1 ZINC000650717521 410353763 /nfs/dbraw/zinc/35/37/63/410353763.db2.gz CZHQUHXHQIKVME-UHFFFAOYSA-N 2 0 238.306 1.553 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000650719918 410358079 /nfs/dbraw/zinc/35/80/79/410358079.db2.gz AHRAFUURBGNPFA-OAHLLOKOSA-N 3 0 247.386 1.638 20 0 BDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CC2CC2)C1 ZINC000650723189 410359476 /nfs/dbraw/zinc/35/94/76/410359476.db2.gz IQYNYWOSIZAZIM-RDBSUJKOSA-N 2 0 238.375 1.757 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN(C)CC[NH+]1CCCCC1 ZINC000650724648 410359637 /nfs/dbraw/zinc/35/96/37/410359637.db2.gz JZQQBOKXKGIJEJ-CQSZACIVSA-N 2 0 241.423 1.778 20 0 BDADRP C[NH2+]Cc1ccccc1CN[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000650720607 410361235 /nfs/dbraw/zinc/36/12/35/410361235.db2.gz VTYKDMVMWKXYMA-WFASDCNBSA-N 3 0 247.386 1.494 20 0 BDADRP c1ccc2c(c1)CC[C@H](CCN[C@@H]1CC[NH2+]C1)N2 ZINC000650720822 410361459 /nfs/dbraw/zinc/36/14/59/410361459.db2.gz BZESCPSUOVUUAJ-ZIAGYGMSSA-N 2 0 245.370 1.755 20 0 BDADRP CC1(C)CC[C@@H]([NH2+]CC2([NH3+])CCOCC2)C1 ZINC000129520741 410374374 /nfs/dbraw/zinc/37/43/74/410374374.db2.gz BZBSPVATDBEBRX-LLVKDONJSA-N 2 0 226.364 1.663 20 0 BDADRP CC(C)C[N@H+](C)CCCN[C@H]1CCC[C@H]1[NH3+] ZINC000650740773 410374533 /nfs/dbraw/zinc/37/45/33/410374533.db2.gz QRJQBXMFJHUZMY-OLZOCXBDSA-N 2 0 227.396 1.434 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC2(C[NH3+])CC2)CC[N@@H+]1C ZINC000650744591 410380344 /nfs/dbraw/zinc/38/03/44/410380344.db2.gz RILJYGNFQLWRGG-VXGBXAGGSA-N 2 0 225.380 1.188 20 0 BDADRP Cc1n[nH]cc1[C@H](C)[NH2+]CCC1(C[NH3+])CC1 ZINC000650745819 410382815 /nfs/dbraw/zinc/38/28/15/410382815.db2.gz OJLWMSOBYSZNJD-VIFPVBQESA-N 2 0 222.336 1.498 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]CCC2(C[NH3+])CC2)C1(C)C ZINC000650745918 410384173 /nfs/dbraw/zinc/38/41/73/410384173.db2.gz QVJYHLNFFYGYAQ-NWDGAFQWSA-N 2 0 240.391 1.909 20 0 BDADRP Cc1cc([C@H](C)[NH2+]CCC2(C[NH3+])CC2)nn1C ZINC000650746717 410384816 /nfs/dbraw/zinc/38/48/16/410384816.db2.gz JOZYUMSQZPWSGY-NSHDSACASA-N 2 0 236.363 1.508 20 0 BDADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1nccn1C ZINC000650746062 410385382 /nfs/dbraw/zinc/38/53/82/410385382.db2.gz VCRIJZBGDBTDDK-SNVBAGLBSA-N 2 0 222.336 1.200 20 0 BDADRP CC[C@@H]([NH2+]CCC1(C[NH3+])CC1)[C@@H]1CCC[NH2+]1 ZINC000650747771 410387607 /nfs/dbraw/zinc/38/76/07/410387607.db2.gz HJKCDSVYAUFIJZ-NEPJUHHUSA-N 3 0 225.380 1.236 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)[C@H](C)OC ZINC000650758165 410407660 /nfs/dbraw/zinc/40/76/60/410407660.db2.gz KOGGWEKYPGPQLI-RYUDHWBXSA-N 2 0 236.359 1.919 20 0 BDADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)[C@H]1CCCC[NH2+]1 ZINC000650762013 410409775 /nfs/dbraw/zinc/40/97/75/410409775.db2.gz QBHNGWLGQXIFGS-TZMCWYRMSA-N 3 0 239.407 1.496 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCC2CC[NH2+]CC2)c2nccn21 ZINC000650761833 410410261 /nfs/dbraw/zinc/41/02/61/410410261.db2.gz LNIHSQBSMUKTHS-DGCLKSJQSA-N 2 0 248.374 1.868 20 0 BDADRP COC1CCC([NH2+]CCC2CC[NH2+]CC2)CC1 ZINC000650762791 410411684 /nfs/dbraw/zinc/41/16/84/410411684.db2.gz KEZBXTOJQITMCS-UHFFFAOYSA-N 2 0 240.391 1.923 20 0 BDADRP CC[NH+]1CCC([NH2+]CCC2CC[NH2+]CC2)CC1 ZINC000650763989 410414115 /nfs/dbraw/zinc/41/41/15/410414115.db2.gz NQSBRUHEWQLPHL-UHFFFAOYSA-N 3 0 239.407 1.450 20 0 BDADRP C[C@H](CCNc1ncnc2[nH]ccc21)[NH+](C)C ZINC000664242991 410525887 /nfs/dbraw/zinc/52/58/87/410525887.db2.gz GPYUSZTUUUSTMQ-SECBINFHSA-N 2 0 233.319 1.662 20 0 BDADRP CC[C@H](C)[C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C(C)C ZINC000309238500 410538566 /nfs/dbraw/zinc/53/85/66/410538566.db2.gz KCKDXCXPEGOUFB-AVGNSLFASA-N 2 0 230.396 1.712 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)CC[NH2+]1 ZINC000653279855 410631421 /nfs/dbraw/zinc/63/14/21/410631421.db2.gz BQQMLXJAAUAUGX-FDYHWXHSSA-N 3 0 225.380 1.186 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2([NH3+])CCCC2)[C@@H](C)O1 ZINC000665246267 410730052 /nfs/dbraw/zinc/73/00/52/410730052.db2.gz AKKRYKHEFRCVEL-MXWKQRLJSA-N 2 0 212.337 1.413 20 0 BDADRP C[C@@H]1C[C@@H](NCC2([NH3+])CCCC2)C[N@@H+]1C1CC1 ZINC000665249411 410731403 /nfs/dbraw/zinc/73/14/03/410731403.db2.gz PUCQQAYLHZREKF-VXGBXAGGSA-N 2 0 237.391 1.473 20 0 BDADRP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)O1 ZINC000665265110 410737534 /nfs/dbraw/zinc/73/75/34/410737534.db2.gz PHTPUKKFJWYFOA-YVECIDJPSA-N 2 0 226.364 1.804 20 0 BDADRP CC[C@H]1C[N@H+](CCc2cn[nH]c2)CC[C@@H]1[NH3+] ZINC000393760412 410761418 /nfs/dbraw/zinc/76/14/18/410761418.db2.gz KVXFDTACKKDBGB-RYUDHWBXSA-N 2 0 222.336 1.011 20 0 BDADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@@H]1CC[NH2+]C1 ZINC000394323851 410789190 /nfs/dbraw/zinc/78/91/90/410789190.db2.gz KBMZNHALWXVZGF-MCIONIFRSA-N 2 0 237.391 1.155 20 0 BDADRP CC[NH+](CC)CCCN1C[C@@H](C)[NH+](C)[C@H](C)C1 ZINC000339621220 169773223 /nfs/dbraw/zinc/77/32/23/169773223.db2.gz HGVMTWKUOAYZJC-ZIAGYGMSSA-N 2 0 241.423 1.743 20 0 BDADRP COCC[C@@H](C)[NH+]1CCC(C)([NH3+])CC1 ZINC000393613665 410750426 /nfs/dbraw/zinc/75/04/26/410750426.db2.gz IBPDQYRSIHPADV-SNVBAGLBSA-N 2 0 200.326 1.225 20 0 BDADRP C[C@@H]1CCCC[C@H]1CN1CCN(C)C[C@@H]1C[NH3+] ZINC000394865974 410828770 /nfs/dbraw/zinc/82/87/70/410828770.db2.gz UGSVVBXYDHBKHT-RDBSUJKOSA-N 2 0 239.407 1.387 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCCNC1)C1CC[NH+](C)CC1 ZINC000396470022 410885017 /nfs/dbraw/zinc/88/50/17/410885017.db2.gz WPGDDYQJBCCBNW-YPMHNXCESA-N 2 0 225.380 1.058 20 0 BDADRP CC(C)[NH2+]C1CC[NH+](C[C@@H](O)C(C)(C)C)CC1 ZINC000336699032 167094913 /nfs/dbraw/zinc/09/49/13/167094913.db2.gz KAQGADQNLMXKPP-CYBMUJFWSA-N 2 0 242.407 1.856 20 0 BDADRP CC(C)[NH2+]CCN1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000370579255 167107074 /nfs/dbraw/zinc/10/70/74/167107074.db2.gz IMINNSOQOOXLMH-UONOGXRCSA-N 2 0 239.407 1.543 20 0 BDADRP CC(C)OCCC[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000011891425 167215793 /nfs/dbraw/zinc/21/57/93/167215793.db2.gz QXXFQZKFHFWZJP-LLVKDONJSA-N 2 0 200.326 1.082 20 0 BDADRP CC[N@H+](C[C@H]1CCOC1)C[C@H]1CCC[NH2+]C1 ZINC000300046062 411078080 /nfs/dbraw/zinc/07/80/80/411078080.db2.gz QWJFMBDKMPTJQX-QWHCGFSZSA-N 2 0 226.364 1.344 20 0 BDADRP COC(C)(C)[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000300949723 411128411 /nfs/dbraw/zinc/12/84/11/411128411.db2.gz HAFPOXRONASUNT-NWDGAFQWSA-N 2 0 228.380 1.731 20 0 BDADRP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCCOC1 ZINC000400918316 411163044 /nfs/dbraw/zinc/16/30/44/411163044.db2.gz DTZHLJIOOXYYER-IGQOVBAYSA-N 2 0 238.375 1.391 20 0 BDADRP CC(C)C1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000108324113 411144333 /nfs/dbraw/zinc/14/43/33/411144333.db2.gz PNNLAGBSMWTFJN-GFCCVEGCSA-N 2 0 210.365 1.964 20 0 BDADRP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CCOCC1 ZINC000400923759 411163860 /nfs/dbraw/zinc/16/38/60/411163860.db2.gz GTGFGUZQMPMPEQ-HZSPNIEDSA-N 2 0 238.375 1.391 20 0 BDADRP COC[C@H](C)C[NH2+]CCC[N@H+](C)CC(C)C ZINC000651865702 411147614 /nfs/dbraw/zinc/14/76/14/411147614.db2.gz FGFUIEYPEIOKQZ-CYBMUJFWSA-N 2 0 230.396 1.836 20 0 BDADRP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CO[C@H](C)C1 ZINC000651865146 411148098 /nfs/dbraw/zinc/14/80/98/411148098.db2.gz OVHNRCVCWAGKTI-CHWSQXEVSA-N 2 0 228.380 1.731 20 0 BDADRP C[N@H+](CCc1noc2ccccc21)C1CC([NH3+])C1 ZINC000655941531 411160614 /nfs/dbraw/zinc/16/06/14/411160614.db2.gz WIDKIXYCHUVOJJ-UHFFFAOYSA-N 2 0 245.326 1.792 20 0 BDADRP [NH3+]CC12CCC(CC1)CN2CCCF ZINC000655942776 411161299 /nfs/dbraw/zinc/16/12/99/411161299.db2.gz YPSAUYYIFFTGSM-UHFFFAOYSA-N 2 0 200.301 1.549 20 0 BDADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000401005396 411169315 /nfs/dbraw/zinc/16/93/15/411169315.db2.gz BMNFXPDMDCKPOW-SOUVJXGZSA-N 3 0 249.402 1.226 20 0 BDADRP C[NH2+]CCC1CC[NH+]([C@@H](C)c2cnccn2)CC1 ZINC000070480076 411170324 /nfs/dbraw/zinc/17/03/24/411170324.db2.gz HMYUKDWPVJVNBB-LBPRGKRZSA-N 2 0 248.374 1.859 20 0 BDADRP CCC[C@H](O)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401046335 411174657 /nfs/dbraw/zinc/17/46/57/411174657.db2.gz GUDMYSLZGAZOMB-RVMXOQNASA-N 2 0 226.364 1.125 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cn[nH]c1 ZINC000401102165 411176323 /nfs/dbraw/zinc/17/63/23/411176323.db2.gz DDQTXTIJYOHIPQ-MEWQQHAOSA-N 2 0 234.347 1.448 20 0 BDADRP C(COCC1CC1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401113182 411176661 /nfs/dbraw/zinc/17/66/61/411176661.db2.gz HEIFZVPGRFOWQQ-BFHYXJOUSA-N 2 0 238.375 1.391 20 0 BDADRP Cc1n[nH]cc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401115932 411176915 /nfs/dbraw/zinc/17/69/15/411176915.db2.gz IJGFHZPTHQASHW-GMXVVIOVSA-N 2 0 234.347 1.196 20 0 BDADRP C[C@@H]1CCC[N@H+](CCCF)[C@@H]1CC[NH3+] ZINC000404305399 411183065 /nfs/dbraw/zinc/18/30/65/411183065.db2.gz RUMMUZWIUMSQLP-GHMZBOCLSA-N 2 0 202.317 1.795 20 0 BDADRP CCC(CC)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000070800409 411183551 /nfs/dbraw/zinc/18/35/51/411183551.db2.gz UTXUSRQCMQOQKK-UHFFFAOYSA-N 2 0 227.396 1.260 20 0 BDADRP Cc1nccn1CC[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000661700458 411191411 /nfs/dbraw/zinc/19/14/11/411191411.db2.gz MKOPOMWKQLGZAB-OLZOCXBDSA-N 2 0 235.331 1.160 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000402033851 411193502 /nfs/dbraw/zinc/19/35/02/411193502.db2.gz ZUPGSLGRMMQRJX-VWYCJHECSA-N 2 0 200.326 1.271 20 0 BDADRP C[C@H](Cc1ccccn1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000656193853 411199425 /nfs/dbraw/zinc/19/94/25/411199425.db2.gz VZDFAROOTULMAL-OLZOCXBDSA-N 2 0 233.359 1.602 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000656193171 411199822 /nfs/dbraw/zinc/19/98/22/411199822.db2.gz WMLWPNDCSVZRLX-USZNOCQGSA-N 2 0 211.353 1.116 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000661701984 411201285 /nfs/dbraw/zinc/20/12/85/411201285.db2.gz UFLMNFJFECZFSC-MGPQQGTHSA-N 2 0 238.375 1.439 20 0 BDADRP C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)OCC1CCCC1 ZINC000656417105 411245221 /nfs/dbraw/zinc/24/52/21/411245221.db2.gz UZBICHOKXRAWES-KBPBESRZSA-N 2 0 238.375 1.344 20 0 BDADRP CCC1(O)CCC([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000656198193 411202957 /nfs/dbraw/zinc/20/29/57/411202957.db2.gz MKGMHEBMVJEMAR-AHPWVWPOSA-N 2 0 240.391 1.930 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCn3ccnc3C2)C1 ZINC000656197950 411203202 /nfs/dbraw/zinc/20/32/02/411203202.db2.gz FFYHBOYIOIHERD-UTUOFQBUSA-N 2 0 234.347 1.057 20 0 BDADRP COCC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000656200028 411204077 /nfs/dbraw/zinc/20/40/77/411204077.db2.gz INNGLDZLRZEEKB-RWMBFGLXSA-N 2 0 238.375 1.391 20 0 BDADRP CC(C)C[N@H+](C)CCCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000656199989 411204284 /nfs/dbraw/zinc/20/42/84/411204284.db2.gz DGXQJFGLJWBXIW-UONOGXRCSA-N 2 0 241.423 1.824 20 0 BDADRP CC[C@H]([NH2+]CC1(COC)CC1)[C@@H]1CCC[NH2+]1 ZINC000656199931 411204515 /nfs/dbraw/zinc/20/45/15/411204515.db2.gz GMUXPBDNFZWPOH-RYUDHWBXSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H](N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1C[NH2+]C1 ZINC000656201460 411206128 /nfs/dbraw/zinc/20/61/28/411206128.db2.gz PKYZAKGYGITKMX-IACUBPJLSA-N 2 0 237.391 1.201 20 0 BDADRP C[C@@H](Cc1ccccn1)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000656201067 411206591 /nfs/dbraw/zinc/20/65/91/411206591.db2.gz JHSSBYKNZIFHDQ-QWRGUYRKSA-N 2 0 219.332 1.210 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)Cc1ccccn1 ZINC000656201894 411207510 /nfs/dbraw/zinc/20/75/10/411207510.db2.gz USAMAPNGRFOHDX-SRVKXCTJSA-N 2 0 221.348 1.728 20 0 BDADRP COCC[NH2+]C1CC[NH+]([C@H](C)CCOC)CC1 ZINC000652344819 411208214 /nfs/dbraw/zinc/20/82/14/411208214.db2.gz AYLYOIDBFPCMKL-GFCCVEGCSA-N 2 0 244.379 1.112 20 0 BDADRP CC(C)[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652345920 411208915 /nfs/dbraw/zinc/20/89/15/411208915.db2.gz PAWPMZGNWWPIAA-AVGNSLFASA-N 2 0 226.364 1.613 20 0 BDADRP C[C@@H]1CCCN(C[C@H]2CC[NH2+]C2)[C@@H]1CC[NH3+] ZINC000652353519 411212175 /nfs/dbraw/zinc/21/21/75/411212175.db2.gz NXLKAHGPSGFVNO-FRRDWIJNSA-N 3 0 225.380 1.045 20 0 BDADRP CCO[C@@H]1C[N@H+](CCCOC(C)C)C[C@H]1C[NH3+] ZINC000652356870 411215496 /nfs/dbraw/zinc/21/54/96/411215496.db2.gz MJSHCOLYNZHRMV-CHWSQXEVSA-N 2 0 244.379 1.097 20 0 BDADRP COC1([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CCC1 ZINC000658048382 411218188 /nfs/dbraw/zinc/21/81/88/411218188.db2.gz WCAKMNVBWKNMON-RWMBFGLXSA-N 2 0 240.391 1.874 20 0 BDADRP CCC[NH+]1CCC(NC[C@H](C)C[NH+](C)C)CC1 ZINC000310258187 411230814 /nfs/dbraw/zinc/23/08/14/411230814.db2.gz PURRKEUXVNNMEH-ZDUSSCGKSA-N 2 0 241.423 1.648 20 0 BDADRP CC[C@@H]([NH2+]C[C@H](C)CCOC)[C@@H]1CCC[NH2+]1 ZINC000423173519 411236301 /nfs/dbraw/zinc/23/63/01/411236301.db2.gz ZCAIKETZOZKWET-UPJWGTAASA-N 2 0 228.380 1.779 20 0 BDADRP CC[C@H]([NH2+]C[C@H](C)CCOC)[C@@H]1CCC[NH2+]1 ZINC000423173517 411236666 /nfs/dbraw/zinc/23/66/66/411236666.db2.gz ZCAIKETZOZKWET-AGIUHOORSA-N 2 0 228.380 1.779 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000423306825 411237710 /nfs/dbraw/zinc/23/77/10/411237710.db2.gz MBAHXJRRPSFNTB-IUCAKERBSA-N 2 0 227.739 1.980 20 0 BDADRP CC1(C)C[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400955639 411166815 /nfs/dbraw/zinc/16/68/15/411166815.db2.gz YHXINBABMAHPJV-KXNHARMFSA-N 2 0 208.349 1.763 20 0 BDADRP CC[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCOC1 ZINC000402608129 411273487 /nfs/dbraw/zinc/27/34/87/411273487.db2.gz VMLDCHLZLYVEEO-UONOGXRCSA-N 2 0 240.391 1.877 20 0 BDADRP Cc1cc(C)n(CCN2CC[C@H]3CC[NH2+][C@@H]3C2)n1 ZINC000649419196 411284410 /nfs/dbraw/zinc/28/44/10/411284410.db2.gz HWQNIAKNTBJBPX-ZIAGYGMSSA-N 2 0 248.374 1.184 20 0 BDADRP CC[NH+]1CCC(N(C)C[C@H]2CC[NH2+]C2)CC1 ZINC000051889842 411284841 /nfs/dbraw/zinc/28/48/41/411284841.db2.gz ZZUIMWWMNWUBGM-LBPRGKRZSA-N 2 0 225.380 1.012 20 0 BDADRP C([C@@H]1CC[NH2+]C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062980280 411330312 /nfs/dbraw/zinc/33/03/12/411330312.db2.gz PJNGNHDZMCKWTL-ZIAGYGMSSA-N 2 0 237.391 1.156 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)CCO1 ZINC000309801968 411252626 /nfs/dbraw/zinc/25/26/26/411252626.db2.gz WRATVHIIMPGLIZ-JHJVBQTASA-N 2 0 228.380 1.731 20 0 BDADRP CCC[NH+]1CCC([NH2+]C2CC(CO)C2)CC1 ZINC000658351931 411354877 /nfs/dbraw/zinc/35/48/77/411354877.db2.gz RFBPJBRQCBISSN-UHFFFAOYSA-N 2 0 226.364 1.221 20 0 BDADRP CC[C@@H]1C[N@H+](CCC[NH3+])[C@@H](CC)CO1 ZINC000403734701 411357316 /nfs/dbraw/zinc/35/73/16/411357316.db2.gz IIKMAPYMEVWNMT-WDEREUQCSA-N 2 0 200.326 1.225 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+]C[C@H](C)N(C)C)C1 ZINC000069847853 411360476 /nfs/dbraw/zinc/36/04/76/411360476.db2.gz DYOHTWCADARUBT-TUAOUCFPSA-N 2 0 214.353 1.484 20 0 BDADRP Nc1cccc(C[NH2+]CC2(C[NH3+])CC2)c1 ZINC000656786058 411364125 /nfs/dbraw/zinc/36/41/25/411364125.db2.gz USPIOSILBICTLF-UHFFFAOYSA-N 2 0 205.305 1.097 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)C[C@]1(C)CO ZINC000662146604 411367581 /nfs/dbraw/zinc/36/75/81/411367581.db2.gz SFGUXDYHAXFLHU-HZSPNIEDSA-N 2 0 240.391 1.421 20 0 BDADRP [NH3+]C1CCC([NH2+]CC2([NH3+])CCCC2)CC1 ZINC000656789825 411370385 /nfs/dbraw/zinc/37/03/85/411370385.db2.gz ZYJLZPDARVELSS-UHFFFAOYSA-N 3 0 211.353 1.117 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]C1CCC(CO)CC1 ZINC000304562269 411371538 /nfs/dbraw/zinc/37/15/38/411371538.db2.gz GXMKXSXESSLCGA-POOIEITISA-N 2 0 226.364 1.255 20 0 BDADRP CC1=CCN(C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000336662564 168113870 /nfs/dbraw/zinc/11/38/70/168113870.db2.gz OPCPLKGQJOSZOQ-CYBMUJFWSA-N 2 0 224.348 1.094 20 0 BDADRP [NH3+]C1(c2noc([C@H]3C[C@@]34CCC[NH2+]C4)n2)CCC1 ZINC000653490615 411381151 /nfs/dbraw/zinc/38/11/51/411381151.db2.gz PWBJLIIHHRVNGD-BXKDBHETSA-N 2 0 248.330 1.265 20 0 BDADRP C[C@@H](C[C@@H]1COCCN1)[NH2+]C1CC(C)C1 ZINC000123371674 168147546 /nfs/dbraw/zinc/14/75/46/168147546.db2.gz DJGXUWQYCWVCIK-POSLAHMBSA-N 2 0 212.337 1.142 20 0 BDADRP CC1CC[NH+](CCN[C@@H]2CCC[NH2+]CC2)CC1 ZINC000129177812 168181838 /nfs/dbraw/zinc/18/18/38/168181838.db2.gz BZQDHNYLKQYHBU-CQSZACIVSA-N 2 0 239.407 1.450 20 0 BDADRP CC(C)(C[NH3+])NC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000659297943 411390058 /nfs/dbraw/zinc/39/00/58/411390058.db2.gz NOQRBBHMRLHPMM-GFCCVEGCSA-N 2 0 247.342 1.075 20 0 BDADRP CC(C)OCC[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404360397 411391469 /nfs/dbraw/zinc/39/14/69/411391469.db2.gz DYDWUVATLQFHTA-QWHCGFSZSA-N 2 0 228.380 1.861 20 0 BDADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)CC[NH+](C)C ZINC000356946605 168301770 /nfs/dbraw/zinc/30/17/70/168301770.db2.gz ZTMMZLIAPSIYQK-LLVKDONJSA-N 2 0 243.395 1.173 20 0 BDADRP Cc1cc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])on1 ZINC000404376652 411392166 /nfs/dbraw/zinc/39/21/66/411392166.db2.gz KYNONUQTLKMFSZ-ZWNOBZJWSA-N 2 0 237.347 1.932 20 0 BDADRP C[C@@H]1CCC[N@H+](Cc2cncn2C)[C@@H]1CC[NH3+] ZINC000404374587 411392609 /nfs/dbraw/zinc/39/26/09/411392609.db2.gz KGNJQJPGCHRSSP-DGCLKSJQSA-N 2 0 236.363 1.369 20 0 BDADRP C[C@H]1CCC[N@H+](Cc2cncn2C)[C@H]1CC[NH3+] ZINC000404374586 411392839 /nfs/dbraw/zinc/39/28/39/411392839.db2.gz KGNJQJPGCHRSSP-AAEUAGOBSA-N 2 0 236.363 1.369 20 0 BDADRP C[C@@H]1CCC[N@H+](C[C@H]2CCOC2)[C@@H]1CC[NH3+] ZINC000404409883 411394183 /nfs/dbraw/zinc/39/41/83/411394183.db2.gz BYPHBYIXBKEEHY-JHJVBQTASA-N 2 0 226.364 1.472 20 0 BDADRP CC(C)O[C@@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000404507353 411399001 /nfs/dbraw/zinc/39/90/01/411399001.db2.gz BOZBHRMZLISWGR-ZIAGYGMSSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](CC)C2)CO1 ZINC000657315447 411461428 /nfs/dbraw/zinc/46/14/28/411461428.db2.gz NCJXATCQGSXEBI-RWMBFGLXSA-N 2 0 226.364 1.485 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)CCO1 ZINC000070360486 411408387 /nfs/dbraw/zinc/40/83/87/411408387.db2.gz OZEKCYFLCXXNNV-BFHYXJOUSA-N 2 0 240.391 1.875 20 0 BDADRP CCCCC[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405369452 411426457 /nfs/dbraw/zinc/42/64/57/411426457.db2.gz INSKAWWMMKRKNY-VXGBXAGGSA-N 2 0 214.353 1.472 20 0 BDADRP CC[C@H]1C[C@@H]([NH2+]CCC[NH+](CC)CC)CO1 ZINC000657285272 411444875 /nfs/dbraw/zinc/44/48/75/411444875.db2.gz AUWVIRJBRMBBOI-OLZOCXBDSA-N 2 0 228.380 1.875 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)NC[C@@H]([NH3+])c1ccccc1 ZINC000414824618 411447784 /nfs/dbraw/zinc/44/77/84/411447784.db2.gz BACRLGUDSUXMRU-VHDGCEQUSA-N 2 0 247.386 1.807 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)NC[C@H]([NH3+])c1ccccc1 ZINC000414824619 411448489 /nfs/dbraw/zinc/44/84/89/411448489.db2.gz BACRLGUDSUXMRU-YUELXQCFSA-N 2 0 247.386 1.807 20 0 BDADRP CCN1CCC[C@@H]1C[NH2+]Cc1cnc2n1CCC2 ZINC000657291267 411452223 /nfs/dbraw/zinc/45/22/23/411452223.db2.gz WWNFMIVNZWDOEB-GFCCVEGCSA-N 2 0 248.374 1.403 20 0 BDADRP COC[C@@H](C)C[NH2+]Cc1cnc2n1CCC2 ZINC000657331448 411468134 /nfs/dbraw/zinc/46/81/34/411468134.db2.gz CYLIWIUFUFBGFX-JTQLQIEISA-N 2 0 223.320 1.201 20 0 BDADRP CC[NH+]1CCC(C[NH2+]Cc2nc(C)c[nH]2)CC1 ZINC000657346742 411470248 /nfs/dbraw/zinc/47/02/48/411470248.db2.gz HUDDJEASPQTAAV-UHFFFAOYSA-N 2 0 236.363 1.540 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CC)CC2)CO1 ZINC000657346679 411471023 /nfs/dbraw/zinc/47/10/23/411471023.db2.gz HCNAFQUNJHTYPY-ZIAGYGMSSA-N 2 0 240.391 1.875 20 0 BDADRP C[NH+](C)CCCC[NH2+]Cc1cnc2n1CCC2 ZINC000657335698 411471409 /nfs/dbraw/zinc/47/14/09/411471409.db2.gz STJVHOXUSBWROQ-UHFFFAOYSA-N 2 0 236.363 1.261 20 0 BDADRP CO[C@H](C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)C1CCCC1 ZINC000659850906 411477454 /nfs/dbraw/zinc/47/74/54/411477454.db2.gz WONXYAVVUSYQHF-MGPQQGTHSA-N 2 0 238.375 1.343 20 0 BDADRP C[C@H](CCO)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657369246 411483723 /nfs/dbraw/zinc/48/37/23/411483723.db2.gz ZSPVPTZSKFITSH-LLVKDONJSA-N 2 0 246.314 1.128 20 0 BDADRP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCC[NH3+] ZINC000415089124 411491197 /nfs/dbraw/zinc/49/11/97/411491197.db2.gz MTEUZNRLPABENH-MFKMUULPSA-N 2 0 204.317 1.858 20 0 BDADRP C[NH+](C)C1CCC([NH2+]Cc2cn[nH]c2)CC1 ZINC000657493273 411534827 /nfs/dbraw/zinc/53/48/27/411534827.db2.gz BCKUYTUWRHDABP-UHFFFAOYSA-N 2 0 222.336 1.372 20 0 BDADRP CO[C@H]1CCC[C@H]([NH2+]C2CC([NH+](C)C)C2)C1 ZINC000655792467 411515667 /nfs/dbraw/zinc/51/56/67/411515667.db2.gz ZKUPEWYDNQVYJE-WTIISPKJSA-N 2 0 226.364 1.626 20 0 BDADRP C[NH+](C)C1CC(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000655793041 411516027 /nfs/dbraw/zinc/51/60/27/411516027.db2.gz MWRRPUHGXOIQDX-NELGMTEASA-N 2 0 237.391 1.295 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c2nccn21 ZINC000655803879 411518726 /nfs/dbraw/zinc/51/87/26/411518726.db2.gz GWFRJLSBNHOUFF-WUHRBBMRSA-N 2 0 248.374 1.819 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CC[N@@H+]1C ZINC000655805852 411520513 /nfs/dbraw/zinc/52/05/13/411520513.db2.gz MEEPJYPGVHKSKF-MQYQWHSLSA-N 3 0 239.407 1.399 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805710 411520581 /nfs/dbraw/zinc/52/05/81/411520581.db2.gz RIYWSEQKYMYNSK-UPJWGTAASA-N 2 0 236.363 1.201 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccncc2F)C1 ZINC000655824591 411526764 /nfs/dbraw/zinc/52/67/64/411526764.db2.gz NDALKOVYBPBQMJ-KLPPZKSPSA-N 2 0 237.322 1.651 20 0 BDADRP Cc1nc(C[NH2+][C@H]2CCCN(C)C2)[nH]c1C ZINC000657324616 411465130 /nfs/dbraw/zinc/46/51/30/411465130.db2.gz FJTHVAVMOKVOLO-NSHDSACASA-N 2 0 222.336 1.210 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+]C2CCSCC2)C1 ZINC000037484295 170007929 /nfs/dbraw/zinc/00/79/29/170007929.db2.gz KOYDZILJWICUSS-NSHDSACASA-N 2 0 228.405 1.813 20 0 BDADRP CC[N@@H+]1CC[C@@H](CN[C@H]2CCn3ccnc32)C1 ZINC000345347591 170008923 /nfs/dbraw/zinc/00/89/23/170008923.db2.gz LJNKGIIHRRUHMG-RYUDHWBXSA-N 2 0 234.347 1.259 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCOC2(C)C)C1 ZINC000328440711 170010522 /nfs/dbraw/zinc/01/05/22/170010522.db2.gz MJWXFPQWAMTDLR-RYUDHWBXSA-N 2 0 226.364 1.485 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CCCO2)C[C@H]1C ZINC000336682226 170018524 /nfs/dbraw/zinc/01/85/24/170018524.db2.gz DAQXADRQWFUXPO-HZSPNIEDSA-N 2 0 240.391 1.970 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCO2)[C@H](C)C1 ZINC000336712201 170019481 /nfs/dbraw/zinc/01/94/81/170019481.db2.gz RPLOZQBBNNFJSL-RDBSUJKOSA-N 2 0 240.391 1.828 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CCC[C@H](C)CO)[C@@H](C)C1 ZINC000358363853 170021015 /nfs/dbraw/zinc/02/10/15/170021015.db2.gz FDORNTSKASLCFH-IHRRRGAJSA-N 2 0 242.407 1.715 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCSC2)[C@H](C)C1 ZINC000309046049 170021788 /nfs/dbraw/zinc/02/17/88/170021788.db2.gz OQFIGDHGNIYTMK-UTUOFQBUSA-N 2 0 228.405 1.812 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)C[C@@H](C)O)[C@@H](C)C1 ZINC000336777292 170022536 /nfs/dbraw/zinc/02/25/36/170022536.db2.gz IAASXGZKKZLXKH-LOWDOPEQSA-N 2 0 228.380 1.466 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](C)C2)[C@H](C)C1 ZINC000358293711 170022954 /nfs/dbraw/zinc/02/29/54/170022954.db2.gz AZPQPPCZAMTICD-RQJABVFESA-N 2 0 240.391 1.874 20 0 BDADRP CC(C)(C)N1CC[C@H]1C[NH2+][C@@H]1CCOC1 ZINC000657525539 411542619 /nfs/dbraw/zinc/54/26/19/411542619.db2.gz SKGASFSGZFAULV-MNOVXSKESA-N 2 0 212.337 1.238 20 0 BDADRP CC[NH2+]Cc1cccc(NC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000131641717 170127998 /nfs/dbraw/zinc/12/79/98/170127998.db2.gz DSYICEXVGCDCPB-CYBMUJFWSA-N 2 0 247.342 1.487 20 0 BDADRP CC[NH2+]Cc1cccc(NC(=O)C(C)(C)[NH3+])c1 ZINC000131639889 170128070 /nfs/dbraw/zinc/12/80/70/170128070.db2.gz DQONHUTXYQEUML-UHFFFAOYSA-N 2 0 235.331 1.472 20 0 BDADRP CC[NH2+]Cc1cccc(NC(=O)[C@@H](C)[C@H](C)[NH3+])c1 ZINC000191987275 170128195 /nfs/dbraw/zinc/12/81/95/170128195.db2.gz GPZRXLKQMOOWPX-QWRGUYRKSA-N 2 0 249.358 1.718 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CN(C)C[C@@H]1C)c1ccccn1 ZINC000657533828 411545234 /nfs/dbraw/zinc/54/52/34/411545234.db2.gz DDIUNVYRKVMEMX-MBNYWOFBSA-N 2 0 233.359 1.725 20 0 BDADRP CCOCCC[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339439477 170374663 /nfs/dbraw/zinc/37/46/63/170374663.db2.gz KJDGACFNCOEOMT-CQSZACIVSA-N 2 0 240.391 1.831 20 0 BDADRP CCOCCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000036907939 170382549 /nfs/dbraw/zinc/38/25/49/170382549.db2.gz DBRFQUSRCBKHJQ-RWMBFGLXSA-N 2 0 228.380 1.731 20 0 BDADRP CCOCC[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070074197 170399625 /nfs/dbraw/zinc/39/96/25/170399625.db2.gz XNPISIBAUQCODX-LLVKDONJSA-N 2 0 200.326 1.084 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCOCCF)CN1C1CC1 ZINC000663339808 411629071 /nfs/dbraw/zinc/62/90/71/411629071.db2.gz CMZLZCRDHAESFV-MNOVXSKESA-N 2 0 230.327 1.187 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCOCCF)CN1C1CC1 ZINC000663339809 411629553 /nfs/dbraw/zinc/62/95/53/411629553.db2.gz CMZLZCRDHAESFV-QWRGUYRKSA-N 2 0 230.327 1.187 20 0 BDADRP C([NH2+][C@H]1CCOC1)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663345930 411632582 /nfs/dbraw/zinc/63/25/82/411632582.db2.gz PDOPOQKHZXNFIN-KBPBESRZSA-N 2 0 238.375 1.487 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC(C)(C)C[C@H]1C ZINC000660806021 411639320 /nfs/dbraw/zinc/63/93/20/411639320.db2.gz QUYNLMXMDKJSNY-CHWSQXEVSA-N 2 0 242.407 1.808 20 0 BDADRP c1ncn2c1C[N@H+](CCc1cccnc1)CC2 ZINC000660582791 411602881 /nfs/dbraw/zinc/60/28/81/411602881.db2.gz XRPPZRAMXGPRDN-UHFFFAOYSA-N 2 0 228.299 1.336 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000657842014 411609741 /nfs/dbraw/zinc/60/97/41/411609741.db2.gz SHWPLYKPDVQJAR-QWHCGFSZSA-N 2 0 238.375 1.629 20 0 BDADRP CCOCC[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660656049 411613732 /nfs/dbraw/zinc/61/37/32/411613732.db2.gz PINGXMAHOGXGJY-CYBMUJFWSA-N 2 0 226.364 1.441 20 0 BDADRP COCCCC[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660659800 411614061 /nfs/dbraw/zinc/61/40/61/411614061.db2.gz RIJTUUWEPTZYES-CQSZACIVSA-N 2 0 240.391 1.831 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1[C@H](C)CCC1(C)C ZINC000660754537 411621129 /nfs/dbraw/zinc/62/11/29/411621129.db2.gz INDUYACNACKHLR-OLZOCXBDSA-N 2 0 242.407 1.950 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cccc(O)c1 ZINC000663499309 411682231 /nfs/dbraw/zinc/68/22/31/411682231.db2.gz XRUANIQIHJDGNT-CYBMUJFWSA-N 2 0 222.332 1.855 20 0 BDADRP C([NH2+]CC12CC(C1)C[NH2+]2)[C@@H]1CCSC1 ZINC000663500495 411682894 /nfs/dbraw/zinc/68/28/94/411682894.db2.gz KTRVBZFTDUOLQV-WHXUTIOJSA-N 2 0 212.362 1.081 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H]3COC[C@H]3C2)CC[NH2+]1 ZINC000663500955 411682996 /nfs/dbraw/zinc/68/29/96/411682996.db2.gz QOAILJHHQHOHCB-YIYPIFLZSA-N 2 0 238.375 1.343 20 0 BDADRP C(N[C@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C12CC(C1)C[NH2+]2 ZINC000663499940 411684197 /nfs/dbraw/zinc/68/41/97/411684197.db2.gz GWRZOOIYKLPQOM-IUWDBWQKSA-N 2 0 249.402 1.249 20 0 BDADRP C[NH2+]C[C@@H](C)NC1CC[NH+](C(C)(C)C)CC1 ZINC000663509170 411691596 /nfs/dbraw/zinc/69/15/96/411691596.db2.gz HQDYHZWRKSWHCA-LLVKDONJSA-N 2 0 227.396 1.447 20 0 BDADRP CCn1nccc1C[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000663514246 411694764 /nfs/dbraw/zinc/69/47/64/411694764.db2.gz POGAEZUSRVENGR-VXGBXAGGSA-N 2 0 236.363 1.381 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)C(C)(C)CC ZINC000661231739 411738143 /nfs/dbraw/zinc/73/81/43/411738143.db2.gz PZHGLRVBOIBNJD-VXGBXAGGSA-N 2 0 230.396 1.713 20 0 BDADRP CC[C@@H](C)[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000233848749 170750675 /nfs/dbraw/zinc/75/06/75/170750675.db2.gz FEBSIAYEXUMVKO-LLVKDONJSA-N 2 0 214.353 1.391 20 0 BDADRP C[NH2+]CC1CC[NH+](Cc2ccnc(N)c2)CC1 ZINC000518375432 411900615 /nfs/dbraw/zinc/90/06/15/411900615.db2.gz AQEIJGZKGKACRY-UHFFFAOYSA-N 2 0 234.347 1.095 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000662139321 412001233 /nfs/dbraw/zinc/00/12/33/412001233.db2.gz ATYGBXMJHXKGHU-UONOGXRCSA-N 2 0 242.407 1.669 20 0 BDADRP CC[C@@H](C)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662154588 412008020 /nfs/dbraw/zinc/00/80/20/412008020.db2.gz XWJKJPPHAQBTSO-TZMCWYRMSA-N 2 0 240.391 1.564 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H]2COC[C@H]2C1 ZINC000662034518 411951923 /nfs/dbraw/zinc/95/19/23/411951923.db2.gz NPRIXJHNLGYKKI-MGPQQGTHSA-N 2 0 238.375 1.439 20 0 BDADRP C[N@@H+](CC1=CCSC1)CC1CC[NH2+]CC1 ZINC000662230821 412031727 /nfs/dbraw/zinc/03/17/27/412031727.db2.gz HLMRGXTUFKDHML-UHFFFAOYSA-N 2 0 226.389 1.591 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@H+](CC2CC=CC2)C1 ZINC000662238160 412034269 /nfs/dbraw/zinc/03/42/69/412034269.db2.gz NPOVXQSAFIAVCE-CYBMUJFWSA-N 2 0 208.349 1.884 20 0 BDADRP C[NH2+]C1CC[NH+](C[C@@H](OC)C2CCC2)CC1 ZINC000662243714 412039426 /nfs/dbraw/zinc/03/94/26/412039426.db2.gz JIMSCMMDGRSVOU-CYBMUJFWSA-N 2 0 226.364 1.485 20 0 BDADRP Cc1cc(CN2CC[C@H]([NH3+])[C@@H](C)C2)nc(C)n1 ZINC000662244880 412041204 /nfs/dbraw/zinc/04/12/04/412041204.db2.gz OJSYWVGGKYLRKD-ZANVPECISA-N 2 0 234.347 1.263 20 0 BDADRP CO[C@H](C[NH+]1CCC([C@H](C)[NH3+])CC1)C1CCC1 ZINC000662246728 412042542 /nfs/dbraw/zinc/04/25/42/412042542.db2.gz QQHPLXJIECOKAL-SMDDNHRTSA-N 2 0 240.391 1.861 20 0 BDADRP CC[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000051919014 171084665 /nfs/dbraw/zinc/08/46/65/171084665.db2.gz SKOPBCDZCMFLMP-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP Cc1nnc([C@@H](C)[NH+]2CCC3(CC[NH2+]C3)CC2)[nH]1 ZINC000662274078 412065095 /nfs/dbraw/zinc/06/50/95/412065095.db2.gz QUXWOGLMNWKUMK-SNVBAGLBSA-N 2 0 249.362 1.250 20 0 BDADRP CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662280443 412071050 /nfs/dbraw/zinc/07/10/50/412071050.db2.gz DNPZAIXKCHWEHI-SRVKXCTJSA-N 2 0 226.364 1.532 20 0 BDADRP CC1(C)CCC[C@@H]1[NH2+]C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662280437 412071368 /nfs/dbraw/zinc/07/13/68/412071368.db2.gz DNAWVCROTLGIQO-NEPJUHHUSA-N 2 0 238.375 1.676 20 0 BDADRP CO[C@H](C[NH+]1CCC2(CC[NH2+]2)CC1)C1CCC1 ZINC000662282090 412072715 /nfs/dbraw/zinc/07/27/15/412072715.db2.gz DBKWZVAOLPFGGS-CYBMUJFWSA-N 2 0 238.375 1.629 20 0 BDADRP CC[C@H](C)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000304496340 171281271 /nfs/dbraw/zinc/28/12/71/171281271.db2.gz CERHYWJVOMMFPP-STQMWFEESA-N 2 0 225.380 1.012 20 0 BDADRP CC[C@H](C)N(C)CC[NH2+][C@@H](C)CCC[NH3+] ZINC000336707098 171305869 /nfs/dbraw/zinc/30/58/69/171305869.db2.gz RQNLHBWNTRNUCV-RYUDHWBXSA-N 2 0 215.385 1.434 20 0 BDADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000226397005 171306050 /nfs/dbraw/zinc/30/60/50/171306050.db2.gz UKCBVXYRCAVIJW-WDEREUQCSA-N 2 0 243.395 1.206 20 0 BDADRP C[N@H+](CCCc1ccncc1)CC(C)(C)[NH3+] ZINC000662295372 412084761 /nfs/dbraw/zinc/08/47/61/412084761.db2.gz QRGGMTGIBRVHAW-UHFFFAOYSA-N 2 0 221.348 1.683 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)[C@H](C)C1 ZINC000662297030 412085183 /nfs/dbraw/zinc/08/51/83/412085183.db2.gz XXWOWBXOVQGASQ-UPJWGTAASA-N 2 0 238.375 1.628 20 0 BDADRP C[C@H]([NH3+])CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662292072 412079489 /nfs/dbraw/zinc/07/94/89/412079489.db2.gz LVJDLYHWRTXIBA-WCQYABFASA-N 2 0 225.380 1.045 20 0 BDADRP CC[C@H](C)[C@@H](C)[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000309093966 171365477 /nfs/dbraw/zinc/36/54/77/171365477.db2.gz DGBDLPFTZQPFBO-TUAOUCFPSA-N 2 0 214.353 1.077 20 0 BDADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCCC[NH+](CC)CC ZINC000019478876 171394313 /nfs/dbraw/zinc/39/43/13/171394313.db2.gz DYKBKXPSEYKRHW-RYUDHWBXSA-N 2 0 243.395 1.208 20 0 BDADRP CC[NH+](CC)CCCN1CC2CC1(C[NH3+])C2 ZINC000662306149 412091690 /nfs/dbraw/zinc/09/16/90/412091690.db2.gz OVSFGFTXGBHLHU-UHFFFAOYSA-N 2 0 225.380 1.141 20 0 BDADRP C[C@]12COC[C@@H]1C[N@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000662311033 412094683 /nfs/dbraw/zinc/09/46/83/412094683.db2.gz PUNVSDUCEZDBPC-IHRRRGAJSA-N 2 0 238.375 1.344 20 0 BDADRP CN(c1ccccc1)[C@@H]1CC[N@H+](CCC[NH3+])C1 ZINC000662314662 412096399 /nfs/dbraw/zinc/09/63/99/412096399.db2.gz AJGZYUPCZQGDDW-CQSZACIVSA-N 2 0 233.359 1.546 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000662314498 412096638 /nfs/dbraw/zinc/09/66/38/412096638.db2.gz PWCDAWHWEUMHFQ-AGIUHOORSA-N 2 0 226.364 1.485 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)CC1=CCSC1 ZINC000662326809 412099783 /nfs/dbraw/zinc/09/97/83/412099783.db2.gz CNXPFSLJWGCYOM-LBPRGKRZSA-N 2 0 240.416 1.981 20 0 BDADRP Cc1ccc(CN2CCO[C@H]([C@@H](C)[NH3+])C2)c(C)c1 ZINC000132588847 412108193 /nfs/dbraw/zinc/10/81/93/412108193.db2.gz CWMLBRONZGNAMM-HIFRSBDPSA-N 2 0 248.370 1.851 20 0 BDADRP CC12CC(C1)C[N@@H+]2CCC1CC[NH2+]CC1 ZINC000662337924 412108332 /nfs/dbraw/zinc/10/83/32/412108332.db2.gz NWXGWRRIEAFBNH-UHFFFAOYSA-N 2 0 208.349 1.860 20 0 BDADRP COC[C@H](CC[NH2+]C1CCC(C[NH3+])CC1)OC ZINC000665235023 412175095 /nfs/dbraw/zinc/17/50/95/412175095.db2.gz OGEWJHBXGPFUFK-BPCQOVAHSA-N 2 0 244.379 1.145 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C2CCC(C[NH3+])CC2)c2ncnn21 ZINC000665235906 412175686 /nfs/dbraw/zinc/17/56/86/412175686.db2.gz CCNSCEVCVDNHIR-XKGSQUFQSA-N 2 0 249.362 1.391 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@@H](C)n2ncnc21 ZINC000665236053 412175805 /nfs/dbraw/zinc/17/58/05/412175805.db2.gz GJHFSNQFJQHFGD-GMTAPVOTSA-N 2 0 237.351 1.391 20 0 BDADRP CC[C@@H](COCC1CC1)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000665236059 412176214 /nfs/dbraw/zinc/17/62/14/412176214.db2.gz GKGRIOWAXINQQC-MFKMUULPSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000665236629 412176924 /nfs/dbraw/zinc/17/69/24/412176924.db2.gz QXFRTRHUONGNBT-AGIUHOORSA-N 2 0 239.407 1.447 20 0 BDADRP CC[C@H](C)CC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000665237511 412178096 /nfs/dbraw/zinc/17/80/96/412178096.db2.gz CDDKAPGRRLPIGE-WUHRBBMRSA-N 2 0 228.380 1.765 20 0 BDADRP Cc1ccncc1CC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000665239619 412179685 /nfs/dbraw/zinc/17/96/85/412179685.db2.gz WAABFBOXAZDVAD-TZMCWYRMSA-N 2 0 233.359 1.650 20 0 BDADRP Cc1ccncc1CC[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000665238936 412180623 /nfs/dbraw/zinc/18/06/23/412180623.db2.gz HWIINIHWSSBDAT-NSHDSACASA-N 2 0 219.332 1.130 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCO[C@@H]1CC1(F)F ZINC000665244105 412186485 /nfs/dbraw/zinc/18/64/85/412186485.db2.gz GHKORFPYRRPIRF-DJLDLDEBSA-N 2 0 222.279 1.126 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CCO[C@H]1CC1(F)F ZINC000665244145 412186554 /nfs/dbraw/zinc/18/65/54/412186554.db2.gz HDHKLOPPKCUOKI-UWVGGRQHSA-N 2 0 236.306 1.518 20 0 BDADRP CO[C@@H](C)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000665244513 412188419 /nfs/dbraw/zinc/18/84/19/412188419.db2.gz PILAFLIPZYKKBG-GARJFASQSA-N 2 0 200.326 1.128 20 0 BDADRP CC[C@@H](NCC1([NH3+])CCCC1)[C@@H]1CCC[NH2+]1 ZINC000665246936 412191326 /nfs/dbraw/zinc/19/13/26/412191326.db2.gz RPRAXXYOIMOCLA-NEPJUHHUSA-N 2 0 225.380 1.378 20 0 BDADRP C[C@H]([NH2+]CCC(C)(C)F)[C@@H]1CCC[NH2+]1 ZINC000665261534 412204449 /nfs/dbraw/zinc/20/44/49/412204449.db2.gz FNDCHSRSOBPMRP-UWVGGRQHSA-N 2 0 202.317 1.855 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@]1(C)CC1(F)F ZINC000665266807 412204772 /nfs/dbraw/zinc/20/47/72/412204772.db2.gz KFNPWIABEIVGTI-NXEZZACHSA-N 2 0 236.306 1.375 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCCC1CCC1 ZINC000665266734 412210729 /nfs/dbraw/zinc/21/07/29/412210729.db2.gz IKGLKMSVBMAEME-UBHSHLNASA-N 2 0 240.391 1.909 20 0 BDADRP CC1(C)[C@H](C[NH2+][C@@H]2CCC[C@@H]2[NH3+])C1(F)F ZINC000665273967 412215824 /nfs/dbraw/zinc/21/58/24/412215824.db2.gz GWQUPLZXSZBUSX-YIZRAAEISA-N 2 0 218.291 1.747 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662425957 412165535 /nfs/dbraw/zinc/16/55/35/412165535.db2.gz PMUPEZOIQKDVAI-SNVBAGLBSA-N 2 0 241.379 1.008 20 0 BDADRP COC1CC(CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000665230967 412167214 /nfs/dbraw/zinc/16/72/14/412167214.db2.gz ZMGICQZRBJOSTJ-QZQSVVMZSA-N 2 0 226.364 1.661 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662427889 412167524 /nfs/dbraw/zinc/16/75/24/412167524.db2.gz DLHKLSJMPAKTKW-MNOVXSKESA-N 2 0 241.379 1.008 20 0 BDADRP COC1CC(CC[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000665230105 412168837 /nfs/dbraw/zinc/16/88/37/412168837.db2.gz JOMURBHTJVTBIL-YWPUVAFDSA-N 2 0 226.364 1.532 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]Cc1cccc(N)c1 ZINC000665232284 412170563 /nfs/dbraw/zinc/17/05/63/412170563.db2.gz JYFOBUZHVOWGDW-ZDUSSCGKSA-N 2 0 237.347 1.112 20 0 BDADRP C[C@H](C[NH+]1CCC(C)CC1)N[C@@H](C)C[C@H](C)[NH3+] ZINC000665272523 412214227 /nfs/dbraw/zinc/21/42/27/412214227.db2.gz GWTNOZQQUFLXRP-MELADBBJSA-N 2 0 241.423 1.822 20 0 BDADRP Nc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000665233330 412172633 /nfs/dbraw/zinc/17/26/33/412172633.db2.gz DYIXRFMQGHXLDD-LSDHHAIUSA-N 2 0 245.370 1.985 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])c1ccccn1 ZINC000665232952 412172723 /nfs/dbraw/zinc/17/27/23/412172723.db2.gz YHDOLIWAEJBFTI-MBNYWOFBSA-N 2 0 233.359 1.902 20 0 BDADRP C[C@@H](N[C@@H]1CC[N@@H+](C(C)(C)C)C1)C1C[NH2+]C1 ZINC000665235830 412173630 /nfs/dbraw/zinc/17/36/30/412173630.db2.gz ARQDEEPOWXUDJL-ZYHUDNBSSA-N 2 0 225.380 1.057 20 0 BDADRP OC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCC1 ZINC000665235156 412174283 /nfs/dbraw/zinc/17/42/83/412174283.db2.gz QNLYFXMNCSELCU-ZGVCCVRISA-N 2 0 224.348 1.020 20 0 BDADRP COc1ccncc1NC(=O)C[NH2+]C(C)C ZINC000662702273 412275634 /nfs/dbraw/zinc/27/56/34/412275634.db2.gz XPHDTASMDDHPKC-UHFFFAOYSA-N 2 0 223.276 1.027 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000665274247 412218152 /nfs/dbraw/zinc/21/81/52/412218152.db2.gz MGQZTSFFPDPSFV-RDBSUJKOSA-N 2 0 239.407 1.448 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])C1CCCC1 ZINC000665275271 412218813 /nfs/dbraw/zinc/21/88/13/412218813.db2.gz GLCOPAVVXMGGQT-BFHYXJOUSA-N 2 0 240.391 1.909 20 0 BDADRP CC[C@@H]([NH3+])CNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662565611 412221038 /nfs/dbraw/zinc/22/10/38/412221038.db2.gz DRDWNWMHKJRWAO-YPMHNXCESA-N 2 0 247.342 1.075 20 0 BDADRP COC[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)C1CCCC1 ZINC000665278608 412221303 /nfs/dbraw/zinc/22/13/03/412221303.db2.gz JYLVSHOCPPDQNC-HRDQMINSSA-N 2 0 238.375 1.533 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000665280884 412226472 /nfs/dbraw/zinc/22/64/72/412226472.db2.gz OAGJLXHBQIGJQP-MGPQQGTHSA-N 2 0 239.407 1.576 20 0 BDADRP CC(C)C[C@@H](C)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665289402 412236387 /nfs/dbraw/zinc/23/63/87/412236387.db2.gz NKAZCPKQGZWAOS-SECBINFHSA-N 2 0 238.335 1.165 20 0 BDADRP CN(CC(C)(C)[NH3+])C(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000662605731 412237537 /nfs/dbraw/zinc/23/75/37/412237537.db2.gz ROHJYTZQTXHGPX-GXFFZTMASA-N 2 0 241.379 1.090 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC(C)(C)[NH3+] ZINC000662608864 412239866 /nfs/dbraw/zinc/23/98/66/412239866.db2.gz QPCKYJDBKWOEMN-LLVKDONJSA-N 2 0 241.379 1.057 20 0 BDADRP C[NH2+]C[C@H](C)NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000662952340 412351983 /nfs/dbraw/zinc/35/19/83/412351983.db2.gz CVUHMIZTEGGGER-WCQYABFASA-N 2 0 249.358 1.191 20 0 BDADRP CCn1cc(C[NH+]2CCC([C@H](C)[NH3+])CC2)cn1 ZINC000111612350 172162179 /nfs/dbraw/zinc/16/21/79/172162179.db2.gz UELLOLBFUHDLTO-NSHDSACASA-N 2 0 236.363 1.462 20 0 BDADRP CCn1cc([C@H](C)[NH2+]CCCC[NH+](C)C)cn1 ZINC000045664326 172195575 /nfs/dbraw/zinc/19/55/75/172195575.db2.gz NSLCKGVWYOQLCR-LBPRGKRZSA-N 2 0 238.379 1.895 20 0 BDADRP CCn1ccnc1C[NH2+]C1CCC([NH3+])CC1 ZINC000051924379 172223774 /nfs/dbraw/zinc/22/37/74/172223774.db2.gz IPFPGYXKOMDRDZ-UHFFFAOYSA-N 2 0 222.336 1.263 20 0 BDADRP C[NH+]1CCC(CC[NH2+][C@H]2CCSC2)CC1 ZINC000122136163 172982989 /nfs/dbraw/zinc/98/29/89/172982989.db2.gz IVEQPRYYLPKKIL-LBPRGKRZSA-N 2 0 228.405 1.813 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH2+]C2CCC(O)CC2)C1 ZINC000054239851 173041497 /nfs/dbraw/zinc/04/14/97/173041497.db2.gz AIBXKKIPXXKSDK-PNESKVBLSA-N 2 0 226.364 1.221 20 0 BDADRP CN1CC[N@H+](CCCC[NH3+])[C@H](c2ccccc2)C1 ZINC000036998842 173078261 /nfs/dbraw/zinc/07/82/61/173078261.db2.gz RHFCHTDSWBCCCX-HNNXBMFYSA-N 2 0 247.386 1.714 20 0 BDADRP C[NH+]1CCN(CC[NH2+]C2CCCCC2)CC1 ZINC000037496836 173083157 /nfs/dbraw/zinc/08/31/57/173083157.db2.gz RYTQKUJEZWGBJS-UHFFFAOYSA-N 2 0 225.380 1.156 20 0 BDADRP CN(Cc1cnc(N)s1)C[C@@H]1CC[N@H+](C)C1 ZINC000086766225 173113859 /nfs/dbraw/zinc/11/38/59/173113859.db2.gz HHVQFKGFIBDJNI-SECBINFHSA-N 2 0 240.376 1.109 20 0 BDADRP C[N@@H+]1CC[C@H](C[NH2+]C2CCSCC2)C1 ZINC000037484800 173147517 /nfs/dbraw/zinc/14/75/17/173147517.db2.gz SVQAENKFECCMCW-SNVBAGLBSA-N 2 0 214.378 1.423 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CCCF)[C@H]2CCC[C@@H]21 ZINC000308909993 173153435 /nfs/dbraw/zinc/15/34/35/173153435.db2.gz DMGXKJKLFMDVGG-WOPDTQHZSA-N 2 0 214.328 1.808 20 0 BDADRP C[NH2+]CCC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000357220919 173341536 /nfs/dbraw/zinc/34/15/36/173341536.db2.gz AKSRQMIXUWDVET-NSHDSACASA-N 2 0 243.395 1.079 20 0 BDADRP C[NH2+]CCC1CC[NH+](CC2CCOCC2)CC1 ZINC000070188956 173343088 /nfs/dbraw/zinc/34/30/88/173343088.db2.gz CQNBNHODMZVHBR-UHFFFAOYSA-N 2 0 240.391 1.735 20 0 BDADRP C[NH2+]CCCN1C[C@@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000337051329 173347406 /nfs/dbraw/zinc/34/74/06/173347406.db2.gz JQPLSGYOVGBULW-ZIAGYGMSSA-N 2 0 233.359 1.023 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1sc(C)nc1C ZINC000336677009 173364349 /nfs/dbraw/zinc/36/43/49/173364349.db2.gz ASEGCMRMWHBGBR-MRVPVSSYSA-N 2 0 227.377 1.705 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](CCc2cccs2)C1 ZINC000011891975 173370418 /nfs/dbraw/zinc/37/04/18/173370418.db2.gz IZDRBPYUYFSLJK-NSHDSACASA-N 2 0 224.373 1.832 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)c1 ZINC000237232272 173389547 /nfs/dbraw/zinc/38/95/47/173389547.db2.gz BKWFGDTVWZDENC-RYUDHWBXSA-N 2 0 247.342 1.472 20 0 BDADRP COC1(C[C@@H](C)[NH2+][C@H](C)CN(C)C)CCC1 ZINC000336765490 174008005 /nfs/dbraw/zinc/00/80/05/174008005.db2.gz OAPYDTYBJSZHDV-VXGBXAGGSA-N 2 0 228.380 1.874 20 0 BDADRP COC1CC([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000300214962 174019967 /nfs/dbraw/zinc/01/99/67/174019967.db2.gz ALDXNUPTUNRCHO-QCXCNERSSA-N 2 0 224.348 1.380 20 0 BDADRP COCC(C)(C)C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000308965972 174072747 /nfs/dbraw/zinc/07/27/47/174072747.db2.gz VPZOQBILRWNGLN-LLVKDONJSA-N 2 0 216.369 1.446 20 0 BDADRP COCCC(C)(C)C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000355033982 174143855 /nfs/dbraw/zinc/14/38/55/174143855.db2.gz FRWLXDUEGKHVHW-STQMWFEESA-N 2 0 242.407 1.979 20 0 BDADRP COCCCCC[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000309461463 174178764 /nfs/dbraw/zinc/17/87/64/174178764.db2.gz OXXHKGYWYHDTIC-VXGBXAGGSA-N 2 0 214.353 1.472 20 0 BDADRP COCCCCC[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000336745062 174179474 /nfs/dbraw/zinc/17/94/74/174179474.db2.gz QMJXUTWMQSSCLL-RYUDHWBXSA-N 2 0 214.353 1.472 20 0 BDADRP COCCCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000336689454 174189815 /nfs/dbraw/zinc/18/98/15/174189815.db2.gz ZDWZGOJVWJWYIK-UHFFFAOYSA-N 2 0 228.380 1.687 20 0 BDADRP COCCCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000336672935 174196200 /nfs/dbraw/zinc/19/62/00/174196200.db2.gz GRIZIJMPAYCSHL-TUAOUCFPSA-N 2 0 212.337 1.082 20 0 BDADRP COCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000044656760 174200848 /nfs/dbraw/zinc/20/08/48/174200848.db2.gz SHQUPDVQGDBSSF-YHWZYXNKSA-N 2 0 226.364 1.628 20 0 BDADRP COCCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367218149 174216582 /nfs/dbraw/zinc/21/65/82/174216582.db2.gz QUHDBQBMUURYOA-FUNVUKJBSA-N 2 0 226.364 1.580 20 0 BDADRP COCCC[C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000309055333 174261894 /nfs/dbraw/zinc/26/18/94/174261894.db2.gz UEDXAOQWPYQEMY-NEPJUHHUSA-N 2 0 216.369 1.731 20 0 BDADRP COCC[N@H+](C)CCC[NH2+]Cc1cccn1C ZINC000161635336 174275879 /nfs/dbraw/zinc/27/58/79/174275879.db2.gz KECWNILJWGNVMC-UHFFFAOYSA-N 2 0 239.363 1.083 20 0 BDADRP COCC[C@@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000045018355 174383332 /nfs/dbraw/zinc/38/33/32/174383332.db2.gz DFVHZUPZPYHQCO-GFCCVEGCSA-N 2 0 214.353 1.487 20 0 BDADRP COC[C@H](C)[NH2+]CCCCC[NH+]1CCCC1 ZINC000339496847 174547650 /nfs/dbraw/zinc/54/76/50/174547650.db2.gz DYMZEQLHRHQTRM-ZDUSSCGKSA-N 2 0 228.380 1.877 20 0 BDADRP COC[C@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000234792769 174602393 /nfs/dbraw/zinc/60/23/93/174602393.db2.gz WRKLOPRUANJEPS-KBPBESRZSA-N 2 0 240.391 1.735 20 0 BDADRP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000234965541 174765172 /nfs/dbraw/zinc/76/51/72/174765172.db2.gz NKDGOGYIFYUITE-YVECIDJPSA-N 2 0 226.364 1.661 20 0 BDADRP COc1cccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000049713122 175260504 /nfs/dbraw/zinc/26/05/04/175260504.db2.gz VWCBZWSJGSRPBH-FZMZJTMJSA-N 2 0 234.343 1.864 20 0 BDADRP COc1cccc(C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000129120274 175268403 /nfs/dbraw/zinc/26/84/03/175268403.db2.gz PDAAYTTTXZJKDE-ZDUSSCGKSA-N 2 0 234.343 1.927 20 0 BDADRP CC[C@]1(C)CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000383493986 487630426 /nfs/dbraw/zinc/63/04/26/487630426.db2.gz BGSJGYONQXGKRT-ZIAGYGMSSA-N 2 0 242.407 1.810 20 0 BDADRP COc1ccccc1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000126888295 175327151 /nfs/dbraw/zinc/32/71/51/175327151.db2.gz GEJBXUYNUIHZTO-VXGBXAGGSA-N 2 0 234.343 1.864 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCSC1 ZINC000336642987 175663623 /nfs/dbraw/zinc/66/36/23/175663623.db2.gz DSQADEUGLWSJCQ-VHSXEESVSA-N 2 0 202.367 1.599 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CCCOC[C@H]1CCCO1 ZINC000336714701 175665565 /nfs/dbraw/zinc/66/55/65/175665565.db2.gz PHMCMNLFBYKHAB-QWHCGFSZSA-N 2 0 244.379 1.289 20 0 BDADRP C[C@@H](c1ccccc1)[NH+]1CCN(CC[NH3+])CC1 ZINC000022792795 176022170 /nfs/dbraw/zinc/02/21/70/176022170.db2.gz VKKHMIJKHIMHLQ-ZDUSSCGKSA-N 2 0 233.359 1.324 20 0 BDADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C(C)(C)[NH3+] ZINC000040920151 176070870 /nfs/dbraw/zinc/07/08/70/176070870.db2.gz CYBUXGHQQNBAOZ-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000037859773 176080532 /nfs/dbraw/zinc/08/05/32/176080532.db2.gz QMPSTKWMPNGZNI-RDBSUJKOSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@@H]1CCC[N@H+](CCN2CC[NH2+]CC2)[C@@H]1C ZINC000050564926 176097570 /nfs/dbraw/zinc/09/75/70/176097570.db2.gz WYTNEESEYFHTRX-CHWSQXEVSA-N 2 0 225.380 1.012 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000333348173 176184998 /nfs/dbraw/zinc/18/49/98/176184998.db2.gz ZSTGRBNPLJMOMB-XQHKEYJVSA-N 3 0 225.380 1.234 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000333348171 176185570 /nfs/dbraw/zinc/18/55/70/176185570.db2.gz ZSTGRBNPLJMOMB-NDBYEHHHSA-N 3 0 225.380 1.234 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CCCCCC[NH3+] ZINC000186661670 176185989 /nfs/dbraw/zinc/18/59/89/176185989.db2.gz WNTKPMVNIKVFEH-VXGBXAGGSA-N 2 0 241.379 1.010 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCC1CCOCC1 ZINC000310581813 176269880 /nfs/dbraw/zinc/26/98/80/176269880.db2.gz RJFSBSJZYGWUBI-OCCSQVGLSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H](O)CC(C)(C)C ZINC000361526001 176270388 /nfs/dbraw/zinc/27/03/88/176270388.db2.gz OTHKSSYUBNBKJQ-FRRDWIJNSA-N 2 0 242.407 1.713 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000336781327 176271297 /nfs/dbraw/zinc/27/12/97/176271297.db2.gz UJKXKOLGFDOWOF-JHJVBQTASA-N 2 0 226.364 1.343 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@H](C1CC1)[NH+](C)C ZINC000360417907 176271409 /nfs/dbraw/zinc/27/14/09/176271409.db2.gz VWHCZMKWABGXSK-MRVWCRGKSA-N 3 0 239.407 1.256 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000358412121 176274132 /nfs/dbraw/zinc/27/41/32/176274132.db2.gz XZKSRGJISUASFM-RQJABVFESA-N 2 0 237.391 1.153 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1cccnc1 ZINC000037718073 176278966 /nfs/dbraw/zinc/27/89/66/176278966.db2.gz FOAGROGKXPAVDW-NFAWXSAZSA-N 2 0 247.386 1.942 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@](C)(O)C1CC1 ZINC000336701910 176279383 /nfs/dbraw/zinc/27/93/83/176279383.db2.gz JZKNVSOCQZQXLF-MHDGFBEUSA-N 2 0 240.391 1.466 20 0 BDADRP C[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000335759065 176288462 /nfs/dbraw/zinc/28/84/62/176288462.db2.gz UOSNEHHBHCYMAP-YPMHNXCESA-N 3 0 225.380 1.045 20 0 BDADRP C[C@@H]1C[NH+](CC[C@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000226005215 176294807 /nfs/dbraw/zinc/29/48/07/176294807.db2.gz PRXNNBAHHAVDAE-JHJVBQTASA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCOC[C@H]2C)CCN1C ZINC000300803206 176342558 /nfs/dbraw/zinc/34/25/58/176342558.db2.gz FJYSJATXLFENEK-NDBYEHHHSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@@H]1C[C@@H](C)[N@H+](C[C@H](O)CN(C)C2CC2)C1 ZINC000336644262 176362527 /nfs/dbraw/zinc/36/25/27/176362527.db2.gz CDACBSYHSJCCCB-NQBHXWOUSA-N 2 0 226.364 1.172 20 0 BDADRP C[C@@H]1C[C@@H](CN2CC[N@@H+]3CCC[C@@H]3C2)CC[NH2+]1 ZINC000235413025 176369358 /nfs/dbraw/zinc/36/93/58/176369358.db2.gz GZPYEVHOCPTPKL-HZSPNIEDSA-N 2 0 237.391 1.155 20 0 BDADRP C[C@@H]1C[C@@H](NCCC[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000309960588 176375445 /nfs/dbraw/zinc/37/54/45/176375445.db2.gz YEJDTUDZWWPDOO-UKRRQHHQSA-N 2 0 247.386 1.588 20 0 BDADRP C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1CCOCC[NH3+] ZINC000357069958 176504228 /nfs/dbraw/zinc/50/42/28/176504228.db2.gz IDUIBVMIEAKXKU-UKRRQHHQSA-N 2 0 248.370 1.840 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)C1CCC1 ZINC000234737447 487635201 /nfs/dbraw/zinc/63/52/01/487635201.db2.gz ZDJDVKQOTHCEAS-CMPLNLGQSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@@H](CO)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000678043260 487635365 /nfs/dbraw/zinc/63/53/65/487635365.db2.gz ACBLEKYSOAQDEA-KGLIPLIRSA-N 2 0 240.391 1.423 20 0 BDADRP C[C@H](c1ccccc1)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000059161696 177039479 /nfs/dbraw/zinc/03/94/79/177039479.db2.gz NNNPYTJSDRLKFP-GFCCVEGCSA-N 2 0 234.343 1.533 20 0 BDADRP C[C@H](c1ccncc1)[N@H+](C)CCn1ccnc1 ZINC000162440333 177050441 /nfs/dbraw/zinc/05/04/41/177050441.db2.gz DEGWWQNPMRJIBO-GFCCVEGCSA-N 2 0 230.315 1.971 20 0 BDADRP C[C@H](c1ccncc1)[NH+]1CCC(C[NH3+])CC1 ZINC000044511632 177051653 /nfs/dbraw/zinc/05/16/53/177051653.db2.gz BAUXKNZIPVQQKR-LLVKDONJSA-N 2 0 219.332 1.813 20 0 BDADRP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CC[C@@H]1C ZINC000135189672 177158057 /nfs/dbraw/zinc/15/80/57/177158057.db2.gz NCWKGMQEBPJAIB-RYUDHWBXSA-N 2 0 210.365 1.964 20 0 BDADRP C[C@H](CN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)C[NH+](C)C ZINC000336722171 177239373 /nfs/dbraw/zinc/23/93/73/177239373.db2.gz STRKIVJOUIRNCD-ZOBORPQBSA-N 2 0 241.423 1.502 20 0 BDADRP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCC1CC[NH2+]CC1 ZINC000035786780 177246374 /nfs/dbraw/zinc/24/63/74/177246374.db2.gz NQPUKESXVSIXMQ-NEPJUHHUSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)CCCO1 ZINC000336339498 177254345 /nfs/dbraw/zinc/25/43/45/177254345.db2.gz DMCIAUJLENBEFD-KBPBESRZSA-N 2 0 240.391 1.972 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)CCO1 ZINC000297385591 177332398 /nfs/dbraw/zinc/33/23/98/177332398.db2.gz AXDZYJKUBAXBAJ-AAEUAGOBSA-N 2 0 245.326 1.991 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccn(C)c1 ZINC000158511913 177333827 /nfs/dbraw/zinc/33/38/27/177333827.db2.gz ZFCBOZLCYLJTHN-MBNYWOFBSA-N 2 0 235.375 1.843 20 0 BDADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(N)=[NH2+])C1 ZINC000303252846 177357519 /nfs/dbraw/zinc/35/75/19/177357519.db2.gz CCHHICYQEBFFCK-UWVGGRQHSA-N 2 0 226.368 1.226 20 0 BDADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc2c(c1)CCO2 ZINC000216070106 177361251 /nfs/dbraw/zinc/36/12/51/177361251.db2.gz LBUWMSSAESGWPW-WCQYABFASA-N 2 0 246.354 1.791 20 0 BDADRP C[C@H]1C[C@H](C[N@H+](C)Cc2cccnc2)CC[NH2+]1 ZINC000235659929 177361263 /nfs/dbraw/zinc/36/12/63/177361263.db2.gz ZRBXBSPSLCKLNR-QWHCGFSZSA-N 2 0 233.359 1.902 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C2CCC([NH3+])CC2)CN1C1CC1 ZINC000122945511 177369534 /nfs/dbraw/zinc/36/95/34/177369534.db2.gz SBCCVRYZGINZJH-WTIISPKJSA-N 2 0 237.391 1.471 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1cccnc1 ZINC000037718074 177370170 /nfs/dbraw/zinc/37/01/70/177370170.db2.gz FOAGROGKXPAVDW-IPYPFGDCSA-N 2 0 247.386 1.942 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CCO[C@@H](C)C1)C[NH+](C)C ZINC000336714746 177370180 /nfs/dbraw/zinc/37/01/80/177370180.db2.gz WEBKYTOZJAVIGZ-GRYCIOLGSA-N 2 0 214.353 1.341 20 0 BDADRP C[C@H]1C[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)CCO1 ZINC000297385596 177370241 /nfs/dbraw/zinc/37/02/41/177370241.db2.gz AXDZYJKUBAXBAJ-WCQYABFASA-N 2 0 245.326 1.991 20 0 BDADRP CCOCCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000087325961 487641127 /nfs/dbraw/zinc/64/11/27/487641127.db2.gz IUBKRRVESYVQJA-KBPBESRZSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@@H]1C[NH+](CCSCC[NH+](C)C)C[C@@H](C)O1 ZINC000568270680 322932608 /nfs/dbraw/zinc/93/26/08/322932608.db2.gz NLXXCIBKYXZNTA-VXGBXAGGSA-N 2 0 246.420 1.390 20 0 BDADRP C[C@@H]([NH2+]CC(C)(C)C(C)(C)O)[C@H]1CCC[NH2+]1 ZINC000400407132 225172849 /nfs/dbraw/zinc/17/28/49/225172849.db2.gz SBMJZLDVTFKQIA-GHMZBOCLSA-N 2 0 228.380 1.514 20 0 BDADRP C[C@H]1C[C@@H]1C[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000488434997 225396798 /nfs/dbraw/zinc/39/67/98/225396798.db2.gz QNTVEOMUSNBCAM-BFHYXJOUSA-N 2 0 240.391 1.325 20 0 BDADRP C[C@H]1C[C@H]1C[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000488434999 225397799 /nfs/dbraw/zinc/39/77/99/225397799.db2.gz QNTVEOMUSNBCAM-MELADBBJSA-N 2 0 240.391 1.325 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCOCC1)[C@@H]1CCC[NH2+]1 ZINC000400504949 226345352 /nfs/dbraw/zinc/34/53/52/226345352.db2.gz JODNVDWHUJXBJY-TUAOUCFPSA-N 2 0 212.337 1.286 20 0 BDADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@H]1CCC[NH2+]1 ZINC000400720697 226350484 /nfs/dbraw/zinc/35/04/84/226350484.db2.gz OKAMMBNDENJFQS-QWHCGFSZSA-N 3 0 239.407 1.448 20 0 BDADRP C[C@@H]1C[N@H+](CCCc2cncn2C)CC[C@H]1[NH3+] ZINC000314012296 487656837 /nfs/dbraw/zinc/65/68/37/487656837.db2.gz NVYKCWYPSUMGSX-DGCLKSJQSA-N 2 0 236.363 1.022 20 0 BDADRP CCC(CC)C[NH2+][C@H](CCC[NH3+])COC ZINC000232857745 487663833 /nfs/dbraw/zinc/66/38/33/487663833.db2.gz FFCXFOLBUOHXOX-GFCCVEGCSA-N 2 0 216.369 1.766 20 0 BDADRP C[C@H]1C[C@H](CNc2ccc(C[NH3+])cc2)CC[NH2+]1 ZINC000414918412 262752749 /nfs/dbraw/zinc/75/27/49/262752749.db2.gz YPCFACGBSOFMQL-WCQYABFASA-N 2 0 233.359 1.945 20 0 BDADRP CC(C)[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000383756123 487670582 /nfs/dbraw/zinc/67/05/82/487670582.db2.gz KPTIDDAUEIVKHL-UONOGXRCSA-N 2 0 242.407 1.665 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](C)[C@@H]1C ZINC000383805611 487675020 /nfs/dbraw/zinc/67/50/20/487675020.db2.gz UJKFXEMXYMNACD-HZSPNIEDSA-N 2 0 242.407 1.808 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1[C@H](C)CCC[C@@H]1C ZINC000383926247 487681719 /nfs/dbraw/zinc/68/17/19/487681719.db2.gz DSRQGENTWMCAQP-MJBXVCDLSA-N 2 0 242.407 1.950 20 0 BDADRP C[C@H](CC(=O)N(C)C)[NH2+]CC1([NH3+])CCCCC1 ZINC000414837993 487694299 /nfs/dbraw/zinc/69/42/99/487694299.db2.gz HXNVJWCFEVWXCU-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)C1CC1 ZINC000675509999 487743661 /nfs/dbraw/zinc/74/36/61/487743661.db2.gz LGVWLPJDEHBXCC-KGLIPLIRSA-N 2 0 240.391 1.564 20 0 BDADRP Cc1nn(C)cc1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000385249464 487777501 /nfs/dbraw/zinc/77/75/01/487777501.db2.gz PXNIGJZYKOLNAW-KBPBESRZSA-N 2 0 248.374 1.289 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)CCO ZINC000779337617 585751544 /nfs/dbraw/zinc/75/15/44/585751544.db2.gz AEOXVEWNKMMYDM-STQMWFEESA-N 2 0 230.396 1.857 20 0 BDADRP CCC[C@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000309256101 487808472 /nfs/dbraw/zinc/80/84/72/487808472.db2.gz OGMNRBBAFKUGAK-STQMWFEESA-N 2 0 230.396 1.808 20 0 BDADRP Cc1ccc(C[N@H+](CCO)CCC[NH3+])cc1 ZINC000414715546 487818915 /nfs/dbraw/zinc/81/89/15/487818915.db2.gz RBKAROQHRZFNQU-UHFFFAOYSA-N 2 0 222.332 1.138 20 0 BDADRP CC(C)C[C@]1(CO)CCC[N@@H+]1CCC[NH3+] ZINC000414751565 487821994 /nfs/dbraw/zinc/82/19/94/487821994.db2.gz APNTYRYTDFMHRD-LBPRGKRZSA-N 2 0 214.353 1.208 20 0 BDADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccncn1 ZINC000565834493 322943686 /nfs/dbraw/zinc/94/36/86/322943686.db2.gz SEEWFHVJYPFEAY-NSHDSACASA-N 2 0 242.326 1.786 20 0 BDADRP CC(C)[C@H]([NH3+])CCN(C)C[C@]1(C)CC[NH2+]C1 ZINC000340707246 487826238 /nfs/dbraw/zinc/82/62/38/487826238.db2.gz INPRDMOHVGVVRP-CHWSQXEVSA-N 2 0 227.396 1.291 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1COCC1(C)C ZINC000313050577 322945154 /nfs/dbraw/zinc/94/51/54/322945154.db2.gz CTEIIOKGHJOGPN-NXEZZACHSA-N 2 0 200.326 1.128 20 0 BDADRP Nc1ccc2c(c1)CCC[C@@H]2[NH2+]CCC[NH3+] ZINC000414921586 487828975 /nfs/dbraw/zinc/82/89/75/487828975.db2.gz DWEGNFIZMAROFR-ZDUSSCGKSA-N 2 0 219.332 1.585 20 0 BDADRP CC(C)[C@H](C(=O)OCCC[NH+](C)C)[NH+](C)C ZINC000803496934 586361886 /nfs/dbraw/zinc/36/18/86/586361886.db2.gz QTSSVVDRFKNUDC-LLVKDONJSA-N 2 0 230.352 1.068 20 0 BDADRP Cc1ccc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000414992259 487833813 /nfs/dbraw/zinc/83/38/13/487833813.db2.gz BOGPFZQYJZQRPG-OCCSQVGLSA-N 2 0 233.359 1.997 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](C[C@H]2CCOc3ccccc32)C1 ZINC000252831263 487834967 /nfs/dbraw/zinc/83/49/67/487834967.db2.gz MDVFFIBNXHSSDB-QWHCGFSZSA-N 2 0 246.354 1.833 20 0 BDADRP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+]CCC[NH3+] ZINC000415087492 487836205 /nfs/dbraw/zinc/83/62/05/487836205.db2.gz UTILGZVJDYQNIW-VXGBXAGGSA-N 2 0 228.380 1.766 20 0 BDADRP Cc1cccc(OC[C@@H](C)[NH2+]CCC[NH3+])c1 ZINC000415082534 487836324 /nfs/dbraw/zinc/83/63/24/487836324.db2.gz ONNBOVNSFSYKBJ-GFCCVEGCSA-N 2 0 222.332 1.701 20 0 BDADRP CSC[C@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000127340954 590624294 /nfs/dbraw/zinc/62/42/94/590624294.db2.gz WTCCKLXRAJHOCC-VHSXEESVSA-N 2 0 202.367 1.470 20 0 BDADRP COCCOc1ccccc1C[NH2+]CCC[NH3+] ZINC000437776760 487848703 /nfs/dbraw/zinc/84/87/03/487848703.db2.gz RXSLCVCLNGQXHS-UHFFFAOYSA-N 2 0 238.331 1.150 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+](CCO)CC(C)(C)C)CC[NH2+]1 ZINC000666639244 487849444 /nfs/dbraw/zinc/84/94/44/487849444.db2.gz PNDQFFNPYSWVBI-CHWSQXEVSA-N 2 0 242.407 1.715 20 0 BDADRP [NH3+]CCC[N@@H+]1CCCc2sccc2C1 ZINC000666639278 487849974 /nfs/dbraw/zinc/84/99/74/487849974.db2.gz GLVRVYAEUCYHKY-UHFFFAOYSA-N 2 0 210.346 1.845 20 0 BDADRP CO[C@@H]1CCCN(CC[NH2+]C(C)(C)C)CC1 ZINC000666699913 487863003 /nfs/dbraw/zinc/86/30/03/487863003.db2.gz MCUPDLLWXWQBAK-GFCCVEGCSA-N 2 0 228.380 1.875 20 0 BDADRP CC(C)([NH3+])CC(=O)NCC[NH+]1CCCCCC1 ZINC000084183951 487868338 /nfs/dbraw/zinc/86/83/38/487868338.db2.gz ACTQPSUQCNRJDF-UHFFFAOYSA-N 2 0 241.379 1.106 20 0 BDADRP COC[C@H](CC(C)C)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666954085 487891589 /nfs/dbraw/zinc/89/15/89/487891589.db2.gz PJMGXIIITCOPQG-STQMWFEESA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)C1CCC1 ZINC000666955459 487892489 /nfs/dbraw/zinc/89/24/89/487892489.db2.gz LXCCLHFODZLDBN-PWSUYJOCSA-N 2 0 208.349 1.907 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@H](C)O ZINC000386771026 487894135 /nfs/dbraw/zinc/89/41/35/487894135.db2.gz KJMPQZXULMVDHG-GVXVVHGQSA-N 2 0 228.380 1.466 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+]C[C@H]1CCOc2ccccc21 ZINC000666910458 487901215 /nfs/dbraw/zinc/90/12/15/487901215.db2.gz PBWLQCZWHXQESP-VXGBXAGGSA-N 2 0 234.343 1.880 20 0 BDADRP CC[C@@H]1CN(Cc2ccnn2CC)CC[C@@H]1[NH3+] ZINC000157093289 487903985 /nfs/dbraw/zinc/90/39/85/487903985.db2.gz PXUQDPHHRRMGBZ-YPMHNXCESA-N 2 0 236.363 1.462 20 0 BDADRP CC[NH+](CC)CCCN1CC[NH2+][C@@H](C(C)C)C1 ZINC000083369841 487909172 /nfs/dbraw/zinc/90/91/72/487909172.db2.gz IZIAUQNNTJKDTH-CQSZACIVSA-N 2 0 241.423 1.648 20 0 BDADRP CC1(C[NH2+][C@H]2CC23CC[NH2+]CC3)CCC1 ZINC000666953580 487915063 /nfs/dbraw/zinc/91/50/63/487915063.db2.gz BLTCXHHUQXOFDW-NSHDSACASA-N 2 0 208.349 1.908 20 0 BDADRP CC[C@@H](COC)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666954604 487915840 /nfs/dbraw/zinc/91/58/40/487915840.db2.gz YSEBIFZUDGRVHV-QWRGUYRKSA-N 2 0 212.337 1.143 20 0 BDADRP c1ccc2c(c1)CC([NH2+][C@@H]1CC13CC[NH2+]CC3)C2 ZINC000666954298 487916063 /nfs/dbraw/zinc/91/60/63/487916063.db2.gz UCPSNPKHWCMYQV-OAHLLOKOSA-N 2 0 242.366 1.886 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995022 487925243 /nfs/dbraw/zinc/92/52/43/487925243.db2.gz AJPUQLYFYVDWIY-OLZOCXBDSA-N 2 0 248.374 1.536 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@@H](C)C[C@H](C)[NH3+] ZINC000564973822 322985375 /nfs/dbraw/zinc/98/53/75/322985375.db2.gz UUTJUTVTMPRPDL-DCAQKATOSA-N 2 0 201.358 1.075 20 0 BDADRP CC(C)[N@H+](C)CC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000449673721 323004863 /nfs/dbraw/zinc/00/48/63/323004863.db2.gz QAFCZSNJVSVCLP-UHFFFAOYSA-N 2 0 247.342 1.569 20 0 BDADRP COCCOCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000129841270 323009638 /nfs/dbraw/zinc/00/96/38/323009638.db2.gz NLZAAYBVEINAEZ-QWHCGFSZSA-N 2 0 244.379 1.112 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC(C)(C)C(C)(C)O)CC[N@@H+]1C ZINC000393600197 323028765 /nfs/dbraw/zinc/02/87/65/323028765.db2.gz PYDJHCYUHRDNTO-NWDGAFQWSA-N 2 0 242.407 1.856 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCCCO)[C@@H](C)C1 ZINC000248745020 323032888 /nfs/dbraw/zinc/03/28/88/323032888.db2.gz NCFYUCDKFQUMNX-QWHCGFSZSA-N 2 0 228.380 1.469 20 0 BDADRP Cc1ccc(CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)o1 ZINC000572986029 323039990 /nfs/dbraw/zinc/03/99/90/323039990.db2.gz ZEEXCXJFRVHSSL-RYUDHWBXSA-N 2 0 222.332 1.990 20 0 BDADRP CC(C)[NH2+]CCCN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000569918901 323044337 /nfs/dbraw/zinc/04/43/37/323044337.db2.gz VOSIGWKREYTUMV-MELADBBJSA-N 2 0 241.423 1.693 20 0 BDADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000570079758 323049272 /nfs/dbraw/zinc/04/92/72/323049272.db2.gz TYGUZXXEYJVJFN-MXWKQRLJSA-N 2 0 249.358 1.306 20 0 BDADRP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H](C)[C@H](C)[NH3+])cc1 ZINC000570079756 323049357 /nfs/dbraw/zinc/04/93/57/323049357.db2.gz TYGUZXXEYJVJFN-DCAQKATOSA-N 2 0 249.358 1.306 20 0 BDADRP CC[C@@H]([NH2+]CCC[NH2+]C(C)C)[C@H]1CCOC1 ZINC000570562026 323063212 /nfs/dbraw/zinc/06/32/12/323063212.db2.gz HDLXEQIRPWFMDR-QWHCGFSZSA-N 2 0 228.380 1.779 20 0 BDADRP CC(C)C[C@H]([NH3+])c1noc(Cn2ccnc2)n1 ZINC000570569196 323063386 /nfs/dbraw/zinc/06/33/86/323063386.db2.gz HEHPZVNTYVNBMV-VIFPVBQESA-N 2 0 235.291 1.360 20 0 BDADRP COC(=O)c1cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c[nH]1 ZINC000563135321 323094563 /nfs/dbraw/zinc/09/45/63/323094563.db2.gz JTYQAUFGNSLPIR-RKDXNWHRSA-N 2 0 239.319 1.017 20 0 BDADRP Cc1cc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])ccn1 ZINC000391165266 323099448 /nfs/dbraw/zinc/09/94/48/323099448.db2.gz OTNLDHNSMAMALE-KGLIPLIRSA-N 2 0 233.359 1.997 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CC1(C2CC2)CCC1 ZINC000391485689 323107377 /nfs/dbraw/zinc/10/73/77/323107377.db2.gz GTDFTAYSSSIHEF-ZDUSSCGKSA-N 2 0 240.391 1.910 20 0 BDADRP C[NH+](C)C1CC([NH2+][C@@H]2CCOC3(CCC3)C2)C1 ZINC000563418573 323123830 /nfs/dbraw/zinc/12/38/30/323123830.db2.gz PQQVSBRNXPVHBT-PNESKVBLSA-N 2 0 238.375 1.770 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])CN1CC[NH2+]C(C)(C)C ZINC000414654285 323150994 /nfs/dbraw/zinc/15/09/94/323150994.db2.gz BUXVTNNUJMLNBL-GHMZBOCLSA-N 2 0 213.369 1.044 20 0 BDADRP C[C@H](CCCO)[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000395138429 323188795 /nfs/dbraw/zinc/18/87/95/323188795.db2.gz SZFQEZXVJQQKNT-UTUOFQBUSA-N 2 0 214.353 1.268 20 0 BDADRP Cc1cnccc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000530220214 323218382 /nfs/dbraw/zinc/21/83/82/323218382.db2.gz MJKSTANYNKJIOP-UHFFFAOYSA-N 2 0 245.370 1.966 20 0 BDADRP CC[C@H]1C[C@@H](C[NH2+]C2CC([NH+](C)C)C2)CCO1 ZINC000563976581 323338129 /nfs/dbraw/zinc/33/81/29/323338129.db2.gz RFOODVBIYCMHBH-ABXWRUBCSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N[C@@H]1CCC[NH2+][C@H]1C ZINC000396623817 323394063 /nfs/dbraw/zinc/39/40/63/323394063.db2.gz VTPQKXJLKTUOBF-MROQNXINSA-N 2 0 225.380 1.057 20 0 BDADRP CC[NH2+]CCC[NH2+][C@H](COC)CC(C)C ZINC000572147818 323546360 /nfs/dbraw/zinc/54/63/60/323546360.db2.gz NUUQMTMJWCCPTL-LBPRGKRZSA-N 2 0 216.369 1.637 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000192779982 324199935 /nfs/dbraw/zinc/19/99/35/324199935.db2.gz DXMVTNVTNDFICB-ZDUSSCGKSA-N 2 0 241.423 1.743 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+]C[C@]2(C)CC[NH2+]C2)O1 ZINC000398092999 324216517 /nfs/dbraw/zinc/21/65/17/324216517.db2.gz STEAIXBAGZVLQO-IJLUTSLNSA-N 2 0 212.337 1.143 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2ncccc2Cl)CC1 ZINC000530206761 324524630 /nfs/dbraw/zinc/52/46/30/324524630.db2.gz NCENKLGSNFOSTQ-UHFFFAOYSA-N 2 0 239.750 1.906 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC[C@H]1CCCOC1 ZINC000530209510 324525473 /nfs/dbraw/zinc/52/54/73/324525473.db2.gz IHGSWZYHRBWPAF-MGPQQGTHSA-N 2 0 240.391 1.781 20 0 BDADRP CC(C)OC1CCC([NH2+][C@H](C)C2C[NH2+]C2)CC1 ZINC000530216234 324532769 /nfs/dbraw/zinc/53/27/69/324532769.db2.gz OLPUWQJNAUTGTJ-LMWSTFAQSA-N 2 0 240.391 1.920 20 0 BDADRP C[C@@H](C[NH+](C)C)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130126559 325014825 /nfs/dbraw/zinc/01/48/25/325014825.db2.gz VFEZPABTLHQQFR-YNEHKIRRSA-N 2 0 225.380 1.153 20 0 BDADRP CC[C@H]([NH2+]C[C@@H](C)N(C)C1CC1)[C@H]1CCOC1 ZINC000131072850 325112365 /nfs/dbraw/zinc/11/23/65/325112365.db2.gz GVYOTPSPQWIYFO-DYEKYZERSA-N 2 0 240.391 1.874 20 0 BDADRP COC[C@H]([NH2+]C[C@H](C)N(C)C1CC1)C(C)C ZINC000131071000 325112564 /nfs/dbraw/zinc/11/25/64/325112564.db2.gz CUUDPJUVRAHGQV-AAEUAGOBSA-N 2 0 228.380 1.730 20 0 BDADRP COCC[C@H](C)[NH2+]C[C@H](C)N(C)C1CC1 ZINC000131115831 325118724 /nfs/dbraw/zinc/11/87/24/325118724.db2.gz WQWUZBZPUWSCJT-QWRGUYRKSA-N 2 0 214.353 1.484 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2(O)CCCCC2)CC[N@@H+]1C ZINC000134027898 325338335 /nfs/dbraw/zinc/33/83/35/325338335.db2.gz LKAHILGNLWQVRO-OLZOCXBDSA-N 2 0 240.391 1.754 20 0 BDADRP CC[NH+]1CCN(CCC[NH2+]CC2(C)CC2)CC1 ZINC000565810071 325959309 /nfs/dbraw/zinc/95/93/09/325959309.db2.gz OHLSROKCQSLAIP-UHFFFAOYSA-N 2 0 239.407 1.404 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)NCC[NH2+]C(C)(C)C ZINC000566230266 326019008 /nfs/dbraw/zinc/01/90/08/326019008.db2.gz WZCMFSQWDZCLMO-NXEZZACHSA-N 2 0 201.358 1.090 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[C@H](O)C(C)C ZINC000566482226 326055731 /nfs/dbraw/zinc/05/57/31/326055731.db2.gz NCOJRXVXRLZUGT-FVCCEPFGSA-N 2 0 228.380 1.641 20 0 BDADRP CC(C)C[C@H](C[NH3+])N[C@H]1CCC[C@H]([NH3+])C1 ZINC000567521198 326208215 /nfs/dbraw/zinc/20/82/15/326208215.db2.gz UBENKYKCAFXSHO-SDDRHHMPSA-N 2 0 213.369 1.219 20 0 BDADRP Cc1nccnc1CC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000567640555 326236658 /nfs/dbraw/zinc/23/66/58/326236658.db2.gz ZCDWKACHPHLRGQ-OCCSQVGLSA-N 2 0 248.374 1.577 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc2c(c1)nnn2C ZINC000567871002 326274222 /nfs/dbraw/zinc/27/42/22/326274222.db2.gz FIBOMCBJKVPORA-UWVGGRQHSA-N 2 0 247.346 1.184 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCC[C@@H](F)C1 ZINC000567894634 326278313 /nfs/dbraw/zinc/27/83/13/326278313.db2.gz KMWLZFZSFXMMIU-WOPDTQHZSA-N 2 0 232.343 1.611 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCCNc2ccccn2)C1 ZINC000568247694 326333664 /nfs/dbraw/zinc/33/36/64/326333664.db2.gz UHUVTAWXTFFFBD-STQMWFEESA-N 2 0 248.374 1.743 20 0 BDADRP [NH3+]CCC1CC[NH+](CCOCC2CC2)CC1 ZINC000568280094 326340512 /nfs/dbraw/zinc/34/05/12/326340512.db2.gz PYQRDNPJTKWFPG-UHFFFAOYSA-N 2 0 226.364 1.474 20 0 BDADRP CC(C)[NH2+]CCCNC(=O)C1([NH3+])CCCCC1 ZINC000568371231 326350642 /nfs/dbraw/zinc/35/06/42/326350642.db2.gz PMDAODSUTQEIHI-UHFFFAOYSA-N 2 0 241.379 1.152 20 0 BDADRP CN(C)c1ccccc1C[NH2+]CCCN1CCC1 ZINC000568779918 326377334 /nfs/dbraw/zinc/37/73/34/326377334.db2.gz RDWRUQOXUAEJEV-UHFFFAOYSA-N 2 0 247.386 1.938 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CCC[C@H](C[NH3+])C1 ZINC000568865384 326379922 /nfs/dbraw/zinc/37/99/22/326379922.db2.gz IERWGYYNCZWQEZ-VXGBXAGGSA-N 2 0 213.369 1.031 20 0 BDADRP C[C@@H](C[NH2+]CC1(O)CCC1)C[NH+]1CCCC1 ZINC000568991045 326385400 /nfs/dbraw/zinc/38/54/00/326385400.db2.gz IGMOLDRQDWHFLS-LBPRGKRZSA-N 2 0 226.364 1.223 20 0 BDADRP [NH3+][C@@H](C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000446398478 487980267 /nfs/dbraw/zinc/98/02/67/487980267.db2.gz YKBHLYPKZROHOY-JHJVBQTASA-N 2 0 247.342 1.073 20 0 BDADRP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCCO1 ZINC000400964031 488011597 /nfs/dbraw/zinc/01/15/97/488011597.db2.gz MEHBKEOJUAULSB-LOWDOPEQSA-N 2 0 224.348 1.143 20 0 BDADRP CC[C@H](O)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000229966771 488015782 /nfs/dbraw/zinc/01/57/82/488015782.db2.gz WSMXNWGULVROGV-JQWIXIFHSA-N 2 0 214.353 1.077 20 0 BDADRP CC[C@@H](O)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000229966776 488015466 /nfs/dbraw/zinc/01/54/66/488015466.db2.gz WSMXNWGULVROGV-ZYHUDNBSSA-N 2 0 214.353 1.077 20 0 BDADRP CCCC[NH+]1CCC(NCCC[NH3+])CC1 ZINC000135290961 488024458 /nfs/dbraw/zinc/02/44/58/488024458.db2.gz KPXMNPZSIPSPIE-UHFFFAOYSA-N 2 0 213.369 1.189 20 0 BDADRP COCC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401070057 488025557 /nfs/dbraw/zinc/02/55/57/488025557.db2.gz MUSLUYLWBZVUJM-WUHRBBMRSA-N 2 0 226.364 1.389 20 0 BDADRP CC(C)[NH+](CCNC(=O)CC(C)(C)[NH3+])C(C)C ZINC000084162009 488030976 /nfs/dbraw/zinc/03/09/76/488030976.db2.gz WKTUJXRWKIIHRG-UHFFFAOYSA-N 2 0 243.395 1.349 20 0 BDADRP C[NH+](C)Cc1ccc(NC(=O)CC(C)(C)[NH3+])cc1 ZINC000084168049 488032191 /nfs/dbraw/zinc/03/21/91/488032191.db2.gz XSJOWUJDVUTDAF-UHFFFAOYSA-N 2 0 249.358 1.814 20 0 BDADRP C[NH+]1CCC2(CCC[N@@H+]2Cc2cn[nH]c2)CC1 ZINC000682782867 488040572 /nfs/dbraw/zinc/04/05/72/488040572.db2.gz ZQQCTYXGZIDXIF-UHFFFAOYSA-N 2 0 234.347 1.470 20 0 BDADRP COCCCC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000222026522 488048004 /nfs/dbraw/zinc/04/80/04/488048004.db2.gz RVWATYPRWVQBFE-NWDGAFQWSA-N 2 0 214.353 1.343 20 0 BDADRP CC[C@H]([NH2+][C@H](C)C1C[NH2+]C1)[C@H]1CCCCO1 ZINC000656200608 488066236 /nfs/dbraw/zinc/06/62/36/488066236.db2.gz BBTUVTADGSHAGN-KGYLQXTDSA-N 2 0 226.364 1.532 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000389109305 488077257 /nfs/dbraw/zinc/07/72/57/488077257.db2.gz ADROBZMBOJSZRE-FRRDWIJNSA-N 2 0 225.380 1.188 20 0 BDADRP CC[C@@H]1CC[N@H+](Cc2cnc(C)n2C)C1 ZINC000667698153 488091659 /nfs/dbraw/zinc/09/16/59/488091659.db2.gz ZGCCZVKQJJWXMR-LLVKDONJSA-N 2 0 207.321 1.960 20 0 BDADRP C(c1nc([C@@H]2CCC[NH2+]2)no1)C1CC[NH2+]CC1 ZINC000257928772 488092017 /nfs/dbraw/zinc/09/20/17/488092017.db2.gz GYWFGSBHEKRJDU-JTQLQIEISA-N 2 0 236.319 1.036 20 0 BDADRP C[C@H]([NH2+]Cc1ccn(C)n1)C1CC[NH+](C)CC1 ZINC000213195000 488100456 /nfs/dbraw/zinc/10/04/56/488100456.db2.gz ZHRVAFBDPWPQGN-NSHDSACASA-N 2 0 236.363 1.240 20 0 BDADRP C[C@@H]([NH2+]Cc1ccn(C)n1)C1CC[NH+](C)CC1 ZINC000213195052 488100534 /nfs/dbraw/zinc/10/05/34/488100534.db2.gz ZHRVAFBDPWPQGN-LLVKDONJSA-N 2 0 236.363 1.240 20 0 BDADRP C[C@H]([NH3+])CCC(=O)N(C)C1(C[NH3+])CCCCC1 ZINC001332034233 974927575 /nfs/dbraw/zinc/92/75/75/974927575.db2.gz CVKNBRNPKYQONR-NSHDSACASA-N 2 0 241.379 1.234 20 0 BDADRP CC(C)([NH3+])CC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000669510882 488114255 /nfs/dbraw/zinc/11/42/55/488114255.db2.gz SHYOESIRZKVUFC-UHFFFAOYSA-N 2 0 247.342 1.398 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)CC2([NH3+])CCC2)c1 ZINC000237204179 488117441 /nfs/dbraw/zinc/11/74/41/488117441.db2.gz REHWQUFFRDHSMY-UHFFFAOYSA-N 2 0 247.342 1.616 20 0 BDADRP COCC(C)(C)C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000683145227 488119598 /nfs/dbraw/zinc/11/95/98/488119598.db2.gz VJEMVZTWPBIWSL-CYBMUJFWSA-N 2 0 242.407 1.979 20 0 BDADRP C[C@@H](CCO)CC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000397618514 488124367 /nfs/dbraw/zinc/12/43/67/488124367.db2.gz FTYSIFRJWTURIY-OLZOCXBDSA-N 2 0 242.407 1.715 20 0 BDADRP Cc1nccn1CCC[N@@H+](C)C(C)(C)CO ZINC000677817560 488131693 /nfs/dbraw/zinc/13/16/93/488131693.db2.gz NQPFVMHWRCDFGN-UHFFFAOYSA-N 2 0 225.336 1.284 20 0 BDADRP C[C@H](CCO)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000121323836 490081969 /nfs/dbraw/zinc/08/19/69/490081969.db2.gz OUOIBHRIQFIPHZ-MNOVXSKESA-N 2 0 214.353 1.077 20 0 BDADRP CCN(CC[NH3+])Cc1ccc(C)c(F)c1 ZINC000231819049 487477610 /nfs/dbraw/zinc/47/76/10/487477610.db2.gz QHOZIPFXRDJZSN-UHFFFAOYSA-N 2 0 210.296 1.915 20 0 BDADRP COC[C@H]1CCCC[N@@H+]1Cc1cnc(C)n1C ZINC000668227684 487488458 /nfs/dbraw/zinc/48/84/58/487488458.db2.gz QGOQCIOZBCGKTG-GFCCVEGCSA-N 2 0 237.347 1.729 20 0 BDADRP Cc1nnc(CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)s1 ZINC000391805612 487493306 /nfs/dbraw/zinc/49/33/06/487493306.db2.gz GCTVNRKQMRRUBX-UWVGGRQHSA-N 2 0 240.376 1.249 20 0 BDADRP CC[C@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000381079296 487494375 /nfs/dbraw/zinc/49/43/75/487494375.db2.gz QYDZFXGRVQLZRZ-QWHCGFSZSA-N 2 0 228.380 1.562 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H]2C=C[C@H](CO)C2)CC1 ZINC000679992204 487511327 /nfs/dbraw/zinc/51/13/27/487511327.db2.gz ZGWABDPPRKQWEN-GXTWGEPZSA-N 2 0 238.375 1.387 20 0 BDADRP CO[C@@H](C[N@@H+]1CCC[C@H](CC[NH3+])C1)C1CCC1 ZINC000662271757 487519085 /nfs/dbraw/zinc/51/90/85/487519085.db2.gz ISJAJKYTCUGDNY-OCCSQVGLSA-N 2 0 240.391 1.862 20 0 BDADRP C([C@@H]1C[C@H]2C[C@H]2C1)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000662274180 487522677 /nfs/dbraw/zinc/52/26/77/487522677.db2.gz RQYZEJXCFPYXGW-RKQHYHRCSA-N 2 0 220.360 1.716 20 0 BDADRP CO[C@H](CN(C)[C@@H](C[NH3+])C1CC1)C1CCCC1 ZINC000662274607 487522704 /nfs/dbraw/zinc/52/27/04/487522704.db2.gz XULCCBXOFJYBSI-UONOGXRCSA-N 2 0 240.391 1.861 20 0 BDADRP Cc1nc(CN2C[C@H](C[NH3+])C[C@H]2C)co1 ZINC000381869443 487525703 /nfs/dbraw/zinc/52/57/03/487525703.db2.gz KHWWZLVHKJSOIB-SCZZXKLOSA-N 2 0 209.293 1.152 20 0 BDADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)CC1([NH3+])CCC1 ZINC000236816879 488147950 /nfs/dbraw/zinc/14/79/50/488147950.db2.gz AJTYQWXYOHTLSC-LLVKDONJSA-N 2 0 241.379 1.090 20 0 BDADRP CC[C@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000379855767 488154926 /nfs/dbraw/zinc/15/49/26/488154926.db2.gz BZDFGLUQKGDQFI-RYUDHWBXSA-N 2 0 216.369 1.418 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)[C@H]1C[C@H]1C ZINC000321909997 488160830 /nfs/dbraw/zinc/16/08/30/488160830.db2.gz PIEUEAFCFHKPSG-VOAKCMCISA-N 2 0 210.365 1.962 20 0 BDADRP Cc1cc(C)cc(OCCN(C)[C@@H]2CC[NH2+]C2)c1 ZINC000071311483 487671301 /nfs/dbraw/zinc/67/13/01/487671301.db2.gz HBKCJRLJVIEUHS-CQSZACIVSA-N 2 0 248.370 1.976 20 0 BDADRP Cc1ccc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cn1 ZINC000415030317 487834071 /nfs/dbraw/zinc/83/40/71/487834071.db2.gz FNYBDRBUCHIVJE-YPMHNXCESA-N 2 0 219.332 1.607 20 0 BDADRP CC[C@@H](C)C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000657573426 488136915 /nfs/dbraw/zinc/13/69/15/488136915.db2.gz MXGHBSLWOPFTMI-KGLIPLIRSA-N 2 0 243.439 1.894 20 0 BDADRP CNC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000093214372 488139630 /nfs/dbraw/zinc/13/96/30/488139630.db2.gz OMOQIKADIJFHSZ-TUAOUCFPSA-N 2 0 241.379 1.007 20 0 BDADRP CC[C@H]1C[N@H+](CCc2cnn(C)c2)CC[C@@H]1[NH3+] ZINC000230745764 488150463 /nfs/dbraw/zinc/15/04/63/488150463.db2.gz MFQBZAQSIBGTQS-STQMWFEESA-N 2 0 236.363 1.022 20 0 BDADRP Cn1nccc1CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000230774441 488156533 /nfs/dbraw/zinc/15/65/33/488156533.db2.gz DZFIMGMBPXQBMA-ONXXMXGDSA-N 2 0 248.374 1.177 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)C1CCC1 ZINC000379951747 488163872 /nfs/dbraw/zinc/16/38/72/488163872.db2.gz FJXPIBRDKFCNME-GFCCVEGCSA-N 2 0 214.353 1.172 20 0 BDADRP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](C)CO)CC1 ZINC000678045528 488174628 /nfs/dbraw/zinc/17/46/28/488174628.db2.gz MXJYAOXXYZIQBO-CYBMUJFWSA-N 2 0 242.407 1.667 20 0 BDADRP COC[C@H](C)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401084031 488181636 /nfs/dbraw/zinc/18/16/36/488181636.db2.gz UFSUZLPLSKWLHB-MROQNXINSA-N 2 0 226.364 1.247 20 0 BDADRP Cc1nccn1CCCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000678073007 488190821 /nfs/dbraw/zinc/19/08/21/488190821.db2.gz HSNQEFWAMVTGLZ-KBPBESRZSA-N 2 0 248.374 1.123 20 0 BDADRP CO[C@@H](C)C[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000223956976 488191163 /nfs/dbraw/zinc/19/11/63/488191163.db2.gz OFEHAONFOBGZBJ-VWYCJHECSA-N 2 0 212.337 1.236 20 0 BDADRP c1n[nH]cc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000683706975 488210617 /nfs/dbraw/zinc/21/06/17/488210617.db2.gz UVXDSDKBFRYLNV-UHFFFAOYSA-N 2 0 234.347 1.374 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000398567913 488220753 /nfs/dbraw/zinc/22/07/53/488220753.db2.gz FFZADZIUADLCCN-OLZOCXBDSA-N 2 0 242.407 1.857 20 0 BDADRP C(C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)C1CCC1 ZINC000398671442 488221418 /nfs/dbraw/zinc/22/14/18/488221418.db2.gz SJDDHUPAUGBHOP-AWEZNQCLSA-N 2 0 237.391 1.156 20 0 BDADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cn[nH]c2)[C@H](C)C1 ZINC000678277345 488235343 /nfs/dbraw/zinc/23/53/43/488235343.db2.gz ISXGJULTYVGMTC-DGCLKSJQSA-N 2 0 236.363 1.572 20 0 BDADRP Cc1n[nH]cc1[C@@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000679359889 488345627 /nfs/dbraw/zinc/34/56/27/488345627.db2.gz RQBPPSMWWMWZRO-SNVBAGLBSA-N 2 0 234.347 1.631 20 0 BDADRP COC(C)(C)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000122301473 490131439 /nfs/dbraw/zinc/13/14/39/490131439.db2.gz IQJVTJUWHRDICB-LLVKDONJSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@H]1C[C@@H](NCC(C)(C)[NH+](C)C)CC[N@@H+]1C ZINC000129581855 490153437 /nfs/dbraw/zinc/15/34/37/490153437.db2.gz OHFDPZZSPDUQRH-RYUDHWBXSA-N 2 0 227.396 1.399 20 0 BDADRP CCn1ccnc1CN1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000385267469 490197041 /nfs/dbraw/zinc/19/70/41/490197041.db2.gz DAALVQKCNOZFIV-JSGCOSHPSA-N 2 0 248.374 1.464 20 0 BDADRP [NH3+]CCC[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000415121859 490214705 /nfs/dbraw/zinc/21/47/05/490214705.db2.gz KYLFOKRPWZSZRP-OLZOCXBDSA-N 2 0 220.316 1.143 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@@H](O)C2CC2)CC1 ZINC000070880004 490242789 /nfs/dbraw/zinc/24/27/89/490242789.db2.gz LDIOFZHDHWSFSE-CYBMUJFWSA-N 2 0 226.364 1.221 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CC2(CO)CCCCC2)C1 ZINC000125476912 490436038 /nfs/dbraw/zinc/43/60/38/490436038.db2.gz APCWHHAHDHABCF-STQMWFEESA-N 2 0 240.391 1.789 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC2(CO)CCCCC2)C1 ZINC000125477147 490436336 /nfs/dbraw/zinc/43/63/36/490436336.db2.gz APCWHHAHDHABCF-CHWSQXEVSA-N 2 0 240.391 1.789 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)CO)[C@@H](C)C1 ZINC000222333115 490631420 /nfs/dbraw/zinc/63/14/20/490631420.db2.gz IWTSZTYEOWJOQJ-RYUDHWBXSA-N 2 0 228.380 1.325 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400943902 491069123 /nfs/dbraw/zinc/06/91/23/491069123.db2.gz CDJMHCZHXONSJC-ZOBORPQBSA-N 3 0 239.407 1.304 20 0 BDADRP C[C@@H](CN[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000223198767 491112938 /nfs/dbraw/zinc/11/29/38/491112938.db2.gz YYFYXFAXAUQNSB-SRVKXCTJSA-N 2 0 213.369 1.009 20 0 BDADRP C[NH+](C)CCCN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000084500829 491122016 /nfs/dbraw/zinc/12/20/16/491122016.db2.gz UHZWWBRECBLHHV-LBPRGKRZSA-N 3 0 227.396 1.401 20 0 BDADRP CN1CC(C[N@H+](C)Cc2cc3cccnc3o2)C1 ZINC000668538500 491127243 /nfs/dbraw/zinc/12/72/43/491127243.db2.gz AWDYEIKDROQLGU-UHFFFAOYSA-N 2 0 245.326 1.821 20 0 BDADRP CCC[NH+]1CCC([NH2+]CC2(CO)CC2)CC1 ZINC000132353166 491135372 /nfs/dbraw/zinc/13/53/72/491135372.db2.gz HUELILCHTLIKDD-UHFFFAOYSA-N 2 0 226.364 1.223 20 0 BDADRP C[C@H](CCCCO)[NH2+]CC1CC[NH+](C)CC1 ZINC000309781233 491156441 /nfs/dbraw/zinc/15/64/41/491156441.db2.gz RGEXFNXUIYBEBW-GFCCVEGCSA-N 2 0 228.380 1.469 20 0 BDADRP CC(C)[NH2+][C@H]1CCCN(Cc2cncn2C)C1 ZINC000309982989 491159356 /nfs/dbraw/zinc/15/93/56/491159356.db2.gz MHAVSXPCRCWKNK-LBPRGKRZSA-N 2 0 236.363 1.383 20 0 BDADRP CC[NH+](CC)CCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000249328026 535541342 /nfs/dbraw/zinc/54/13/42/535541342.db2.gz VBIBSXCZFKRXFQ-MGPQQGTHSA-N 2 0 241.423 1.647 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[C@H](C)O1 ZINC000401000146 533963542 /nfs/dbraw/zinc/96/35/42/533963542.db2.gz BAZLEHLTFLIOJZ-WZBKEBKWSA-N 2 0 238.375 1.530 20 0 BDADRP CCOC(=O)CC[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000348064837 535643085 /nfs/dbraw/zinc/64/30/85/535643085.db2.gz ASHCASCAFZPPFE-GFCCVEGCSA-N 2 0 242.363 1.356 20 0 BDADRP COC(=O)[C@@H]1CCC[C@H]([NH2+]CCCC[NH3+])CC1 ZINC001172775089 974940775 /nfs/dbraw/zinc/94/07/75/974940775.db2.gz ZIVKPNZHTMBDQT-NEPJUHHUSA-N 2 0 242.363 1.437 20 0 BDADRP Cc1ncc(C[N@H+](C)CC[C@H]2CC[NH2+]C2)s1 ZINC000400068844 534734459 /nfs/dbraw/zinc/73/44/59/534734459.db2.gz SVGUYGMCDXEEBX-LLVKDONJSA-N 2 0 239.388 1.883 20 0 BDADRP C[N@@H+]1CCC[C@]2(CC[NH+](CCCF)C2)C1 ZINC000336114063 536395544 /nfs/dbraw/zinc/39/55/44/536395544.db2.gz WKEINSACNGQIRZ-LBPRGKRZSA-N 2 0 214.328 1.764 20 0 BDADRP C1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000401114618 526422779 /nfs/dbraw/zinc/42/27/79/526422779.db2.gz LRZMXVPTZTYZCO-NTZNESFSSA-N 2 0 208.349 1.907 20 0 BDADRP CC[NH+](CC)CCN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400498995 528138068 /nfs/dbraw/zinc/13/80/68/528138068.db2.gz ICQJSXWDJHIHQM-NEPJUHHUSA-N 2 0 213.369 1.058 20 0 BDADRP CC1CC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000400914410 528163631 /nfs/dbraw/zinc/16/36/31/528163631.db2.gz GVHUSFWZUKWLCB-CEPARRHRSA-N 2 0 208.349 1.763 20 0 BDADRP CCC[NH+]1CCC([N@H+](C)CCC(=O)OC)CC1 ZINC000173214545 528193642 /nfs/dbraw/zinc/19/36/42/528193642.db2.gz QJLNIGOBBRMOTH-UHFFFAOYSA-N 2 0 242.363 1.356 20 0 BDADRP CC(C)C[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)[NH+](C)C ZINC000400758840 528530792 /nfs/dbraw/zinc/53/07/92/528530792.db2.gz XRFIBLPGOHNZBG-MJBXVCDLSA-N 2 0 241.423 1.693 20 0 BDADRP CC(C)N(C)C[C@H](C)[NH2+][C@@H](C)CCC[NH3+] ZINC000309026222 528832877 /nfs/dbraw/zinc/83/28/77/528832877.db2.gz YCASTPRJOGUEPJ-RYUDHWBXSA-N 2 0 215.385 1.432 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000400757576 529082369 /nfs/dbraw/zinc/08/23/69/529082369.db2.gz XLQNYODLPBOUSB-JHJVBQTASA-N 2 0 225.380 1.201 20 0 BDADRP CC(C)[NH+]1CCC(O)(C[NH2+]C2CC(C)C2)CC1 ZINC000343871133 535163942 /nfs/dbraw/zinc/16/39/42/535163942.db2.gz ZKTOMLSGZAPSBF-UHFFFAOYSA-N 2 0 240.391 1.610 20 0 BDADRP CC(C)[C@@H]1C[N@H+](C)CCN1C[C@H]1CCC[NH2+]C1 ZINC000336054872 535260592 /nfs/dbraw/zinc/26/05/92/535260592.db2.gz PCCNXHNVAAFOSY-KBPBESRZSA-N 2 0 239.407 1.258 20 0 BDADRP CC(C)[C@](C)(O)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000261583541 535285984 /nfs/dbraw/zinc/28/59/84/535285984.db2.gz PCRBHLMIQRRLTR-YNEHKIRRSA-N 2 0 228.380 1.501 20 0 BDADRP CC[NH2+]CC1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261772807 535458470 /nfs/dbraw/zinc/45/84/70/535458470.db2.gz MVQRQPHOYSXRKS-AWEZNQCLSA-N 3 0 239.407 1.308 20 0 BDADRP CCC[C@@](C)(CO)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000261540208 535521996 /nfs/dbraw/zinc/52/19/96/535521996.db2.gz DUKHHSHTHNUTHV-RYUDHWBXSA-N 2 0 214.353 1.127 20 0 BDADRP CC[N@H+]1C[C@H](NCCC[NH+]2CCCC2)[C@@H](C)C1 ZINC000347722932 535783859 /nfs/dbraw/zinc/78/38/59/535783859.db2.gz PFKMYEXIDJLBPK-KBPBESRZSA-N 2 0 239.407 1.402 20 0 BDADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000262585036 535847280 /nfs/dbraw/zinc/84/72/80/535847280.db2.gz NYFRDJZARYBBCB-WCFLWFBJSA-N 2 0 249.358 1.176 20 0 BDADRP CC[C@](C)(O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000249309646 535847287 /nfs/dbraw/zinc/84/72/87/535847287.db2.gz DNJLPYQXCCNXQR-KBPBESRZSA-N 2 0 240.391 1.565 20 0 BDADRP CCn1nccc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000336128326 535868459 /nfs/dbraw/zinc/86/84/59/535868459.db2.gz VOPBVCZTMJZGKC-UHFFFAOYSA-N 2 0 248.374 1.479 20 0 BDADRP CC[C@H]([NH2+]CCOCC[NH+](C)C)C1CC1 ZINC000219312253 535903568 /nfs/dbraw/zinc/90/35/68/535903568.db2.gz WYMCEHVRIYAMIR-LBPRGKRZSA-N 2 0 214.353 1.343 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000251044664 536091468 /nfs/dbraw/zinc/09/14/68/536091468.db2.gz DLHPQCCFQOVHGP-AGIUHOORSA-N 2 0 228.380 1.502 20 0 BDADRP CN1CCC([NH2+]C[C@]2(O)CCCC2(C)C)CC1 ZINC000334359690 536344733 /nfs/dbraw/zinc/34/47/33/536344733.db2.gz WXDWZZIQYOKHCF-CQSZACIVSA-N 2 0 240.391 1.611 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H](CCO)C(C)(C)C ZINC000183686195 536389973 /nfs/dbraw/zinc/38/99/73/536389973.db2.gz CIBRJPTYKNOBCG-STQMWFEESA-N 2 0 242.407 1.857 20 0 BDADRP COCCC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000169234642 536591357 /nfs/dbraw/zinc/59/13/57/536591357.db2.gz OWENJGDJNAOHQJ-CHWSQXEVSA-N 2 0 220.316 1.757 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]C1Cc2ccccc2C1 ZINC000234710880 536593347 /nfs/dbraw/zinc/59/33/47/536593347.db2.gz DOERYARMFHAAMJ-CQSZACIVSA-N 2 0 248.370 1.497 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])C1CC1 ZINC000261967508 536647548 /nfs/dbraw/zinc/64/75/48/536647548.db2.gz BSSYFLCJQOIDJX-GRYCIOLGSA-N 2 0 212.337 1.128 20 0 BDADRP CO[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)CC[C@H]1C ZINC000261533372 536730605 /nfs/dbraw/zinc/73/06/05/536730605.db2.gz HJTMBTJTXOFESQ-JHJVBQTASA-N 2 0 226.364 1.343 20 0 BDADRP COCC[N@H+](CC(C)C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261543473 536828203 /nfs/dbraw/zinc/82/82/03/536828203.db2.gz SUTCLAISVNXZNU-ZIAGYGMSSA-N 2 0 242.407 1.979 20 0 BDADRP COCCCCC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000222978195 536878622 /nfs/dbraw/zinc/87/86/22/536878622.db2.gz FKIYHWQJFINXCH-QWHCGFSZSA-N 2 0 228.380 1.733 20 0 BDADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCCOC2)CC1 ZINC000335600553 566405529 /nfs/dbraw/zinc/40/55/29/566405529.db2.gz QADNGQCGBYAZGH-LBPRGKRZSA-N 2 0 210.321 1.017 20 0 BDADRP CC[C@H](C[C@H](C)CO)[NH2+]CC1CC[NH+](C)CC1 ZINC000893075319 583041931 /nfs/dbraw/zinc/04/19/31/583041931.db2.gz ZYMGSTOVOVNVRQ-GXTWGEPZSA-N 2 0 242.407 1.715 20 0 BDADRP C([NH2+][C@@H]1CC[C@@H]1C1CC1)C12CC(C1)C[NH2+]2 ZINC000854228324 588781141 /nfs/dbraw/zinc/78/11/41/588781141.db2.gz VFQGKYVWIDMPJJ-CDOIKYBLSA-N 2 0 206.333 1.517 20 0 BDADRP C[C@@H]1C[NH+](CC2CC[NH+](C)CC2)C[C@H]1C ZINC000892068314 582783390 /nfs/dbraw/zinc/78/33/90/582783390.db2.gz KLANFNVVVDYVCD-VXGBXAGGSA-N 2 0 210.365 1.916 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCOC[C@@H]2C2CC2)CC1 ZINC000892106098 582792772 /nfs/dbraw/zinc/79/27/72/582792772.db2.gz UERFTPMHVMVODW-CQSZACIVSA-N 2 0 238.375 1.439 20 0 BDADRP CCC[NH+]1CCC(Nc2cc(C)[nH+]c(N)n2)CC1 ZINC000106134328 582802967 /nfs/dbraw/zinc/80/29/67/582802967.db2.gz WCDMDVAQGHRDLI-UHFFFAOYSA-N 2 0 249.362 1.654 20 0 BDADRP CC[C@H](C)NC(=[NH2+])NC[C@@H](C)[NH+]1CCCC1 ZINC000848986602 582817829 /nfs/dbraw/zinc/81/78/29/582817829.db2.gz KUUHBHXVFSIBQX-WDEREUQCSA-N 2 0 226.368 1.383 20 0 BDADRP C[C@@H](CNC(=[NH2+])NCC1CCC1)[NH+]1CCCC1 ZINC000848986580 582818341 /nfs/dbraw/zinc/81/83/41/582818341.db2.gz IMESVQQVCXJEDG-NSHDSACASA-N 2 0 238.379 1.385 20 0 BDADRP C[C@@H]1CC[N@H+](CCNC(=[NH2+])N2CCCCC2)C1 ZINC000849004157 582821886 /nfs/dbraw/zinc/82/18/86/582821886.db2.gz CVPHRWAGZIJUDU-GFCCVEGCSA-N 2 0 238.379 1.338 20 0 BDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H]([NH3+])C1CC1 ZINC000560942775 582840989 /nfs/dbraw/zinc/84/09/89/582840989.db2.gz DYKQMBIVPHJQES-BNOWGMLFSA-N 2 0 239.407 1.624 20 0 BDADRP CC[N@@H+]1CCCC[C@H]1CNc1cc[nH+]cc1CO ZINC000892460678 582892963 /nfs/dbraw/zinc/89/29/63/582892963.db2.gz RXTIFDAHEPHNNY-ZDUSSCGKSA-N 2 0 249.358 1.282 20 0 BDADRP C[C@H](CO)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394451937 582976960 /nfs/dbraw/zinc/97/69/60/582976960.db2.gz TWXGURFINFIGOA-ACJTYDJDSA-N 2 0 226.364 1.172 20 0 BDADRP C[NH+]1CCC(C[NH2+]Cc2cccc(F)n2)CC1 ZINC000893202794 583070258 /nfs/dbraw/zinc/07/02/58/583070258.db2.gz OAZYDWHMCOGKLZ-UHFFFAOYSA-N 2 0 237.322 1.652 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@H]2CCn3ccnc3C2)CC1 ZINC000893706354 583206565 /nfs/dbraw/zinc/20/65/65/583206565.db2.gz DDFIIXQCSRQTBM-ZDUSSCGKSA-N 2 0 248.374 1.129 20 0 BDADRP Cc1ncoc1CNC1CC[NH+](CC2CC2)CC1 ZINC000894193793 583333486 /nfs/dbraw/zinc/33/34/86/583333486.db2.gz LCSPYZOCXXINJY-UHFFFAOYSA-N 2 0 249.358 1.947 20 0 BDADRP c1nc(CNC2CC[NH+](C3CCC3)CC2)c[nH]1 ZINC000894204981 583341948 /nfs/dbraw/zinc/34/19/48/583341948.db2.gz VSSLQDJYBLNVHM-UHFFFAOYSA-N 2 0 234.347 1.516 20 0 BDADRP CC(=O)OC[C@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000894978863 583563487 /nfs/dbraw/zinc/56/34/87/583563487.db2.gz OZZBFXPDQIIGJZ-PKSQDBQZSA-N 2 0 242.363 1.400 20 0 BDADRP Cc1ncoc1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000894984874 583564286 /nfs/dbraw/zinc/56/42/86/583564286.db2.gz MPLMURAMQCEJEK-GFCCVEGCSA-N 2 0 237.347 1.805 20 0 BDADRP C[C@@H]1C[C@H](NCc2cccnc2F)CC[N@@H+]1C ZINC000794836543 583622462 /nfs/dbraw/zinc/62/24/62/583622462.db2.gz QSSAUZIFGSMYNP-ZYHUDNBSSA-N 2 0 237.322 1.793 20 0 BDADRP CC[C@@H](COCC1CC1)[NH2+]Cc1cnc[nH]1 ZINC000895231695 583629116 /nfs/dbraw/zinc/62/91/16/583629116.db2.gz SVQQIDUPCZUQDL-NSHDSACASA-N 2 0 223.320 1.705 20 0 BDADRP CO[C@](C)(C[NH2+]CC[C@@H](C)[NH+](C)C)C1CC1 ZINC000895294374 583638070 /nfs/dbraw/zinc/63/80/70/583638070.db2.gz VIUFPBICDPYMDD-DGCLKSJQSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@H](CCn1cccn1)[NH2+]CC[C@@H](C)[NH+](C)C ZINC000895293639 583639617 /nfs/dbraw/zinc/63/96/17/583639617.db2.gz ITCVHFMCFHBTSV-CHWSQXEVSA-N 2 0 238.379 1.592 20 0 BDADRP C[NH+]1CCC(C[NH2+]C[C@@H](CO)CC2CC2)CC1 ZINC000895396025 583664675 /nfs/dbraw/zinc/66/46/75/583664675.db2.gz FGSGZSODEOXLJJ-AWEZNQCLSA-N 2 0 240.391 1.326 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC000895435249 583672886 /nfs/dbraw/zinc/67/28/86/583672886.db2.gz YNGOBOLUEUILDI-ITGUQSILSA-N 2 0 208.349 1.716 20 0 BDADRP C[C@H]1[C@@H](Nc2cc(N)[nH+]cc2Cl)CC[N@@H+]1C ZINC000895735480 583717496 /nfs/dbraw/zinc/71/74/96/583717496.db2.gz VHRJMETYYLUMRM-CBAPKCEASA-N 2 0 240.738 1.822 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@H]2C[C@H]2C(F)(F)F)CC1 ZINC000895783743 583727323 /nfs/dbraw/zinc/72/73/23/583727323.db2.gz CDBNXDFADLKDHT-NXEZZACHSA-N 2 0 236.281 1.869 20 0 BDADRP CO[C@@H]1CC[C@H](C)[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000896074699 583768713 /nfs/dbraw/zinc/76/87/13/583768713.db2.gz CNLKLSGMVFCMHX-GXTWGEPZSA-N 2 0 240.391 1.828 20 0 BDADRP CC[C@H](C)[C@H](C[NH2+][C@H]1CCN(C)[C@H]1C)OC ZINC000896555176 583811781 /nfs/dbraw/zinc/81/17/81/583811781.db2.gz NYOVFGXKYANQCK-CYDGBPFRSA-N 2 0 228.380 1.730 20 0 BDADRP C[NH+]1CCC(C[NH+]2CCSCC2)CC1 ZINC000143935331 583901410 /nfs/dbraw/zinc/90/14/10/583901410.db2.gz AMWMSALEVZVVBX-UHFFFAOYSA-N 2 0 214.378 1.377 20 0 BDADRP C[C@@H]1C[C@H]1NC(=[NH2+])NCC[NH+]1CCCCCC1 ZINC000864453647 584005440 /nfs/dbraw/zinc/00/54/40/584005440.db2.gz YHUWYSPFLGHKCW-VXGBXAGGSA-N 2 0 238.379 1.385 20 0 BDADRP C[N@@H+]1CCC[C@H](CNc2cc[nH+]c(CO)c2)C1 ZINC000858402928 588951366 /nfs/dbraw/zinc/95/13/66/588951366.db2.gz OEXUXYVDRPDBAI-LLVKDONJSA-N 2 0 235.331 1.328 20 0 BDADRP COC[C@@H](C)C[NH+]1CCC([NH2+]C2CCC2)CC1 ZINC000897982281 584072117 /nfs/dbraw/zinc/07/21/17/584072117.db2.gz ILGMBAKHBIRPCI-LBPRGKRZSA-N 2 0 240.391 1.875 20 0 BDADRP CCC[NH+]1CCC([NH2+]CC[C@@H](O)C2CC2)CC1 ZINC000898202662 584089617 /nfs/dbraw/zinc/08/96/17/584089617.db2.gz KMMCHBTXHSDWEJ-CQSZACIVSA-N 2 0 240.391 1.611 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@H]2COC[C@@H]2C2CC2)CC1 ZINC000898377620 584112879 /nfs/dbraw/zinc/11/28/79/584112879.db2.gz WKPDSXIKEMSIPB-KGLIPLIRSA-N 2 0 238.375 1.343 20 0 BDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccoc1 ZINC000730109267 584123328 /nfs/dbraw/zinc/12/33/28/584123328.db2.gz PEEQYJHTABVSNM-LBPRGKRZSA-N 2 0 237.347 1.005 20 0 BDADRP C[C@H](NC[C@@H]1CCC(C)(C)C[NH2+]1)[C@H]1CCC[NH2+]1 ZINC000873236891 584127731 /nfs/dbraw/zinc/12/77/31/584127731.db2.gz KFWCFXBSGOJUTG-RWMBFGLXSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H]1OCC[C@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873262420 584128518 /nfs/dbraw/zinc/12/85/18/584128518.db2.gz ACKJZWRKWHCDAC-IEECTRCBSA-N 2 0 224.348 1.284 20 0 BDADRP C[C@H](NC(=[NH2+])NC[C@H]1C[C@@H]([NH+](C)C)C1)C1CC1 ZINC000899276819 584192728 /nfs/dbraw/zinc/19/27/28/584192728.db2.gz OZDOJUMEPWPDGV-JBLDHEPKSA-N 2 0 238.379 1.239 20 0 BDADRP CCC[C@H](O)C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902320222 584552455 /nfs/dbraw/zinc/55/24/55/584552455.db2.gz OYVSEJJGJLLEPH-RYUDHWBXSA-N 2 0 228.380 1.515 20 0 BDADRP COCC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902316155 584556020 /nfs/dbraw/zinc/55/60/20/584556020.db2.gz FBYHEMSQAZLKNL-SNVBAGLBSA-N 2 0 200.326 1.001 20 0 BDADRP CC[NH+](CC)CCN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902315330 584556046 /nfs/dbraw/zinc/55/60/46/584556046.db2.gz AHNJEJNVRXTGCJ-ZDUSSCGKSA-N 2 0 241.423 1.696 20 0 BDADRP C[NH+](C)CCCN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902317421 584556854 /nfs/dbraw/zinc/55/68/54/584556854.db2.gz KBUYTORIAKNWHJ-GFCCVEGCSA-N 3 0 227.396 1.306 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CC2(CO)CCC2)C1 ZINC000902374224 584567593 /nfs/dbraw/zinc/56/75/93/584567593.db2.gz KKWWOJCDFXRQOF-LBPRGKRZSA-N 2 0 240.391 1.517 20 0 BDADRP [NH3+]C1(C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)CC1 ZINC000902409229 584575566 /nfs/dbraw/zinc/57/55/66/584575566.db2.gz JZPHLKCIHBZWJJ-QJPTWQEYSA-N 2 0 224.348 1.273 20 0 BDADRP [NH3+]C1(CN[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000902410242 584576288 /nfs/dbraw/zinc/57/62/88/584576288.db2.gz QPCLWVQCDWJUIZ-ZIAGYGMSSA-N 2 0 245.370 1.561 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCCCCO)C1 ZINC000902381102 584576878 /nfs/dbraw/zinc/57/68/78/584576878.db2.gz CWSAVOCFYLXVJQ-LBPRGKRZSA-N 2 0 228.380 1.517 20 0 BDADRP C[C@H](O)CCC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902385346 584578593 /nfs/dbraw/zinc/57/85/93/584578593.db2.gz ZUYNUWWMYKIEPH-NWDGAFQWSA-N 2 0 228.380 1.515 20 0 BDADRP COCC(COC)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902387232 584579429 /nfs/dbraw/zinc/57/94/29/584579429.db2.gz IMPVXULAUGXEHL-LLVKDONJSA-N 2 0 244.379 1.016 20 0 BDADRP CO[C@@H](C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)C1CC1 ZINC000902389090 584580736 /nfs/dbraw/zinc/58/07/36/584580736.db2.gz RXXQWEBDJNIFKF-STQMWFEESA-N 2 0 240.391 1.779 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H](NC[C@H]([NH3+])C2CC2)C1 ZINC000902392430 584582594 /nfs/dbraw/zinc/58/25/94/584582594.db2.gz HFRGAQMGZIDYKX-NEPJUHHUSA-N 2 0 225.380 1.092 20 0 BDADRP C[C@@H](N[C@H]1CC[NH2+]CC(C)(C)C1)[C@H](C)[NH3+] ZINC000902392061 584583057 /nfs/dbraw/zinc/58/30/57/584583057.db2.gz FBNXYCMJCQDGSQ-AXFHLTTASA-N 2 0 213.369 1.090 20 0 BDADRP CC[C@@H]([NH3+])CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902392867 584583711 /nfs/dbraw/zinc/58/37/11/584583711.db2.gz LCUKXTLFPQEOQK-MNOVXSKESA-N 2 0 213.369 1.092 20 0 BDADRP CCC([NH3+])(CC)CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902394348 584584894 /nfs/dbraw/zinc/58/48/94/584584894.db2.gz VFSDEWFBHZMLBN-LBPRGKRZSA-N 2 0 241.423 1.872 20 0 BDADRP CC1(C)C[NH2+]CC[C@H](NC[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000902394330 584584906 /nfs/dbraw/zinc/58/49/06/584584906.db2.gz VDTRDNQLEWORBE-SRVKXCTJSA-N 2 0 243.370 1.054 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902395127 584585011 /nfs/dbraw/zinc/58/50/11/584585011.db2.gz ZNYMLIHQZSLLMS-UPJWGTAASA-N 2 0 239.407 1.352 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902399035 584585931 /nfs/dbraw/zinc/58/59/31/584585931.db2.gz TZMPKYBQZFTRJX-CHWSQXEVSA-N 2 0 242.407 1.905 20 0 BDADRP C[C@@H]1CC[C@H](N[C@@H]2CC[NH2+]CC(C)(C)C2)C[NH2+]1 ZINC000902398437 584586284 /nfs/dbraw/zinc/58/62/84/584586284.db2.gz PIJKAZGGUBZIRW-UPJWGTAASA-N 2 0 239.407 1.495 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCOCCF)C1 ZINC000902400546 584586817 /nfs/dbraw/zinc/58/68/17/584586817.db2.gz SUHAESVZIHKSMI-LLVKDONJSA-N 2 0 232.343 1.340 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902401001 584587588 /nfs/dbraw/zinc/58/75/88/584587588.db2.gz ZCVVUCGVUOGTQZ-QWHCGFSZSA-N 2 0 241.423 1.728 20 0 BDADRP C[C@H](CSC(C)(C)C)[NH2+]CC1([NH3+])CC1 ZINC000902416447 584590252 /nfs/dbraw/zinc/59/02/52/584590252.db2.gz OIKFYIXLCGJZGH-SECBINFHSA-N 2 0 216.394 1.988 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902430036 584594657 /nfs/dbraw/zinc/59/46/57/584594657.db2.gz CCSPXOJUUIHTON-AAVRWANBSA-N 2 0 231.343 1.081 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)C1C[NH2+]C1 ZINC000902434888 584596390 /nfs/dbraw/zinc/59/63/90/584596390.db2.gz POMVYXZCNMFYKC-MDZLAQPJSA-N 2 0 226.364 1.125 20 0 BDADRP CC1(C)C[NH2+]C[C@@H]1N[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000902444782 584598883 /nfs/dbraw/zinc/59/88/83/584598883.db2.gz OTBHRVZPVSFIMR-TUAOUCFPSA-N 2 0 225.380 1.234 20 0 BDADRP CC[C@@H]([NH2+]CC1([NH3+])CC1)C1(C(=O)OC)CCC1 ZINC000902414036 584599374 /nfs/dbraw/zinc/59/93/74/584599374.db2.gz QVWZOZRMPDNJCV-SNVBAGLBSA-N 2 0 240.347 1.189 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+]CC2([NH3+])CC2)C12CCC2 ZINC000902413573 584599492 /nfs/dbraw/zinc/59/94/92/584599492.db2.gz OBORVLIJJYISAK-MNOVXSKESA-N 2 0 224.348 1.415 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NC[C@H]1CCCCC[NH2+]1 ZINC000902479416 584604334 /nfs/dbraw/zinc/60/43/34/584604334.db2.gz XMTSUURDGFUTIA-QJPTWQEYSA-N 2 0 213.369 1.234 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1NC[C@@H]1CCCCC[NH2+]1 ZINC000902479447 584604346 /nfs/dbraw/zinc/60/43/46/584604346.db2.gz YAPZHWNFICPAJW-RWMBFGLXSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2C[NH2+]CC2(C)C)C[N@@H+]1C1CC1 ZINC000902448952 584605346 /nfs/dbraw/zinc/60/53/46/584605346.db2.gz KBLOOKQGZPZWDJ-MDZLAQPJSA-N 2 0 237.391 1.199 20 0 BDADRP C[C@H]([NH2+][C@H]1C[NH2+]CC1(C)C)C1CC[NH+](C)CC1 ZINC000902449078 584605356 /nfs/dbraw/zinc/60/53/56/584605356.db2.gz LUZDHJHXEXDGDO-AAEUAGOBSA-N 3 0 239.407 1.304 20 0 BDADRP C1[C@H]2CCC[C@H]2[C@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000902453507 584608270 /nfs/dbraw/zinc/60/82/70/584608270.db2.gz DVIOIIFQEGVPQC-CAJDRRNYSA-N 2 0 232.371 1.761 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NCC[N@@H+]1CCC(C)(C)C1 ZINC000902455123 584609810 /nfs/dbraw/zinc/60/98/10/584609810.db2.gz JDVWRVXEMIYSNY-NWDGAFQWSA-N 2 0 227.396 1.434 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc2nonc2c1 ZINC000902456502 584610314 /nfs/dbraw/zinc/61/03/14/584610314.db2.gz PJZXFSUJIJBNJT-RKDXNWHRSA-N 2 0 234.303 1.438 20 0 BDADRP [NH3+][C@H]1C[C@@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c2ccccc21 ZINC000902460628 584611418 /nfs/dbraw/zinc/61/14/18/584611418.db2.gz HWFPTYHXSKXUSG-NJEAUENSSA-N 2 0 243.354 1.614 20 0 BDADRP CC[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@H]1C[C@@H]1C ZINC000902460613 584611801 /nfs/dbraw/zinc/61/18/01/584611801.db2.gz HOCCHWYXSFGUBC-MCDVFOBDSA-N 2 0 208.349 1.904 20 0 BDADRP CC1(C)[C@@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000902466208 584613648 /nfs/dbraw/zinc/61/36/48/584613648.db2.gz JWZKFFMZYWXNIO-PRFQISJJSA-N 2 0 249.402 1.246 20 0 BDADRP CC[N@@H+]1CC[C@@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)[C@@H](C)C1 ZINC000902466569 584614283 /nfs/dbraw/zinc/61/42/83/584614283.db2.gz LZPMZDLMKOMZNI-ODXJTPSBSA-N 2 0 237.391 1.199 20 0 BDADRP C1C[C@@H]2[NH2+][C@H]1C[C@@H]2[NH2+]C1CCSCC1 ZINC000902467905 584614624 /nfs/dbraw/zinc/61/46/24/584614624.db2.gz RKEFJCTVLJEDHQ-VWYCJHECSA-N 2 0 212.362 1.365 20 0 BDADRP CO[C@H]1CCC[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000902469059 584615425 /nfs/dbraw/zinc/61/54/25/584615425.db2.gz ORHZDBKDPSJOPQ-JZRPKSSGSA-N 2 0 224.348 1.427 20 0 BDADRP C1CC2(C1)CC[C@@H]2N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902468794 584615605 /nfs/dbraw/zinc/61/56/05/584615605.db2.gz VQSKVDXURAJQFM-KXNHARMFSA-N 2 0 206.333 1.802 20 0 BDADRP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cccnc1 ZINC000902491792 584618051 /nfs/dbraw/zinc/61/80/51/584618051.db2.gz ZWOATBYZFDYQGR-CKYFFXLPSA-N 2 0 205.305 1.470 20 0 BDADRP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cccc(O)c1 ZINC000902491369 584618325 /nfs/dbraw/zinc/61/83/25/584618325.db2.gz WFLJXTROJAKKNA-CKYFFXLPSA-N 2 0 220.316 1.780 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CC[C@@H](O)C2CC2)C1 ZINC000902501454 584620866 /nfs/dbraw/zinc/62/08/66/584620866.db2.gz BJZNXFRBKSHWCK-CHWSQXEVSA-N 2 0 240.391 1.515 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H]1CCCCC[NH2+]1 ZINC000902481557 584624285 /nfs/dbraw/zinc/62/42/85/584624285.db2.gz DNLAGBIHEFVJJF-RDBSUJKOSA-N 2 0 239.407 1.496 20 0 BDADRP C[C@]12C[C@H]1CCC[C@@H]2[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902483720 584624575 /nfs/dbraw/zinc/62/45/75/584624575.db2.gz AGGNPAXVABIVFH-KVSVUVNWSA-N 2 0 208.349 1.892 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)[C@H](C)C1 ZINC000902487734 584626446 /nfs/dbraw/zinc/62/64/46/584626446.db2.gz LXASAWKBOPQVPJ-LPWJVIDDSA-N 3 0 225.380 1.044 20 0 BDADRP COC[C@H](CC(C)C)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902488746 584627509 /nfs/dbraw/zinc/62/75/09/584627509.db2.gz NIVQORJPTFMMFT-SRVKXCTJSA-N 2 0 214.353 1.374 20 0 BDADRP Cc1ncccc1CC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000902513894 584629393 /nfs/dbraw/zinc/62/93/93/584629393.db2.gz PESVUIRWWLEFFD-KGLIPLIRSA-N 2 0 233.359 1.650 20 0 BDADRP [NH3+]C1CCC([NH2+][C@H]2COC[C@@H]2C2CC2)CC1 ZINC000902516004 584629974 /nfs/dbraw/zinc/62/99/74/584629974.db2.gz BNIXDUQNDLDMJR-TUUUFIMRSA-N 2 0 224.348 1.271 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]C/C=C\Cl)C12CCC2 ZINC000902516021 584630143 /nfs/dbraw/zinc/63/01/43/584630143.db2.gz BSGMFXDIEMXBEP-LCEQUYJCSA-N 2 0 200.713 1.598 20 0 BDADRP [NH3+]C1CCC([NH2+][C@@H]2COC[C@H]2C2CC2)CC1 ZINC000902516003 584630388 /nfs/dbraw/zinc/63/03/88/584630388.db2.gz BNIXDUQNDLDMJR-IFWUJCSASA-N 2 0 224.348 1.271 20 0 BDADRP C[C@H]([NH2+]CCOC1CCSCC1)C1C[NH2+]C1 ZINC000902519458 584630799 /nfs/dbraw/zinc/63/07/99/584630799.db2.gz ZNLGMCXSGJHGEP-JTQLQIEISA-N 2 0 244.404 1.096 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1COC[C@@H]1C1CC1 ZINC000902522111 584631905 /nfs/dbraw/zinc/63/19/05/584631905.db2.gz WKDCMRFKUZVPPI-YIYPIFLZSA-N 2 0 238.375 1.661 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN(C1CC1)C1CC[NH2+]CC1 ZINC000903422333 584764188 /nfs/dbraw/zinc/76/41/88/584764188.db2.gz YTIDAANCAOUGLY-NEPJUHHUSA-N 2 0 237.391 1.058 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000903425046 584765255 /nfs/dbraw/zinc/76/52/55/584765255.db2.gz POVRVTSDEIYSEQ-IALDZJHCSA-N 3 0 225.380 1.044 20 0 BDADRP C[C@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H]1C[NH3+] ZINC000903458837 584766102 /nfs/dbraw/zinc/76/61/02/584766102.db2.gz LIJZXANOKKIXBT-RNJOBUHISA-N 3 0 225.380 1.031 20 0 BDADRP C[C@H](CO)C1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903461206 584766334 /nfs/dbraw/zinc/76/63/34/584766334.db2.gz PJFWGRDWSKJTHU-BZPMIXESSA-N 2 0 240.391 1.454 20 0 BDADRP [NH3+]C[C@@H]1c2ccccc2CCN1C[C@H]1CCC[NH2+]1 ZINC000903460460 584766389 /nfs/dbraw/zinc/76/63/89/584766389.db2.gz CWHYHNAXWLFHAP-UKRRQHHQSA-N 2 0 245.370 1.297 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000903460875 584766488 /nfs/dbraw/zinc/76/64/88/584766488.db2.gz KOHQRMPUVBYCRL-YUELXQCFSA-N 2 0 245.370 1.726 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000903460874 584766875 /nfs/dbraw/zinc/76/68/75/584766875.db2.gz KOHQRMPUVBYCRL-SNPRPXQTSA-N 2 0 245.370 1.726 20 0 BDADRP CC(C)[C@@H]1CNCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903464270 584767296 /nfs/dbraw/zinc/76/72/96/584767296.db2.gz FWXOUTBNDCOUHH-AGIUHOORSA-N 2 0 225.380 1.044 20 0 BDADRP CC[NH+](CC)C[C@H]1CCN(C[C@H]2CCC[NH2+]2)C1 ZINC000903443449 584768524 /nfs/dbraw/zinc/76/85/24/584768524.db2.gz CFMLJZIUPUXVSQ-ZIAGYGMSSA-N 2 0 239.407 1.402 20 0 BDADRP CC[N@@H+]1CC[C@@H](N(C)C[C@H]2CCC[NH2+]2)C[C@H]1C ZINC000903445068 584769260 /nfs/dbraw/zinc/76/92/60/584769260.db2.gz XRTTYKMIAIRAFR-MGPQQGTHSA-N 2 0 239.407 1.543 20 0 BDADRP CC[N@H+](C)C[C@@H]1CCN(C[C@H]2CCC[NH2+]2)C1 ZINC000903445982 584770400 /nfs/dbraw/zinc/77/04/00/584770400.db2.gz QDHILHFFOYIXGR-QWHCGFSZSA-N 2 0 225.380 1.012 20 0 BDADRP C[NH2+]CCC1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000903447421 584770573 /nfs/dbraw/zinc/77/05/73/584770573.db2.gz ROXUQMOVVSYDAT-CYBMUJFWSA-N 2 0 225.380 1.060 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2C[C@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000903447274 584770690 /nfs/dbraw/zinc/77/06/90/584770690.db2.gz MERICQXYBQHYQM-RYMFRWLXSA-N 3 0 237.391 1.173 20 0 BDADRP C([C@H]1CCC[NH2+]1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000903453636 584772648 /nfs/dbraw/zinc/77/26/48/584772648.db2.gz GHRWTBKNPLLUBO-MGPQQGTHSA-N 2 0 237.391 1.345 20 0 BDADRP C([C@H]1CCC[NH2+]1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000903453606 584772662 /nfs/dbraw/zinc/77/26/62/584772662.db2.gz DJRHBJIMBRGKOM-MJBXVCDLSA-N 2 0 237.391 1.202 20 0 BDADRP C(C[NH+]1CCC2(CC[NH2+]C2)CC1)OC1CC1 ZINC000903452678 584772767 /nfs/dbraw/zinc/77/27/67/584772767.db2.gz QIRCKLKCTKJWQB-UHFFFAOYSA-N 2 0 224.348 1.241 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000903455278 584773821 /nfs/dbraw/zinc/77/38/21/584773821.db2.gz SHSPISQULRSGFG-RDBSUJKOSA-N 2 0 245.370 1.726 20 0 BDADRP C(CC1CC[NH2+]CC1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903470277 584775011 /nfs/dbraw/zinc/77/50/11/584775011.db2.gz JODDAMCSWDAFAW-CYBMUJFWSA-N 3 0 237.391 1.250 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000903471297 584775573 /nfs/dbraw/zinc/77/55/73/584775573.db2.gz IGGVJNAPVMNBMO-TUAOUCFPSA-N 2 0 224.348 1.286 20 0 BDADRP C(C[C@H]1CCCCO1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903470974 584775616 /nfs/dbraw/zinc/77/56/16/584775616.db2.gz FTVMIIGAJWGEPC-OLZOCXBDSA-N 2 0 238.375 1.820 20 0 BDADRP C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903472930 584776335 /nfs/dbraw/zinc/77/63/35/584776335.db2.gz XDWTWHUTAWVCLC-SDDRHHMPSA-N 2 0 224.348 1.286 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN1CCCCC[C@@H]([NH3+])C1 ZINC000903476912 584777388 /nfs/dbraw/zinc/77/73/88/584777388.db2.gz NLPBQUYCNOAYEL-FRRDWIJNSA-N 2 0 225.380 1.045 20 0 BDADRP C(C[C@H]1CC[NH2+]C1)[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903483052 584779042 /nfs/dbraw/zinc/77/90/42/584779042.db2.gz BYOVMUOYABBPAL-CHWSQXEVSA-N 3 0 237.391 1.250 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)C1 ZINC000903481911 584779066 /nfs/dbraw/zinc/77/90/66/584779066.db2.gz QBCYSFAEBUYJEM-IGQOVBAYSA-N 2 0 238.375 1.615 20 0 BDADRP OC[C@H]1CCC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903490984 584780797 /nfs/dbraw/zinc/78/07/97/584780797.db2.gz PSIGTKKJJFQDGE-CQSZACIVSA-N 2 0 246.354 1.289 20 0 BDADRP C[NH2+]C[C@@H]1CCCCN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903527107 584781252 /nfs/dbraw/zinc/78/12/52/584781252.db2.gz TXRSVUIJRPMEAQ-AGIUHOORSA-N 2 0 225.380 1.188 20 0 BDADRP CC1(C)CN(CCCC2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC000903557052 584782714 /nfs/dbraw/zinc/78/27/14/584782714.db2.gz LIQIWYDYYQYZQQ-ZDUSSCGKSA-N 2 0 239.407 1.435 20 0 BDADRP CC1(C)C[N@H+](CCCCCCC[NH3+])C[C@H]1N ZINC000903558883 584782756 /nfs/dbraw/zinc/78/27/56/584782756.db2.gz SIFYUUAGYFDJRH-GFCCVEGCSA-N 2 0 227.396 1.565 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903716534 584791857 /nfs/dbraw/zinc/79/18/57/584791857.db2.gz OKWDHEQLSKXZFQ-CHWSQXEVSA-N 3 0 239.407 1.435 20 0 BDADRP C[N@H+](C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CCCC1 ZINC000903717953 584792117 /nfs/dbraw/zinc/79/21/17/584792117.db2.gz GKDUGBOBMJOXBM-ZIAGYGMSSA-N 2 0 238.375 1.629 20 0 BDADRP CC1CC[NH+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903717621 584792142 /nfs/dbraw/zinc/79/21/42/584792142.db2.gz BUCIIHIVALYODL-KGLIPLIRSA-N 2 0 238.375 1.487 20 0 BDADRP CC(C)[C@H]([NH3+])CCN(C)C[C@@H]1CCCC[NH2+]C1 ZINC000903717160 584792580 /nfs/dbraw/zinc/79/25/80/584792580.db2.gz IDEPSATZMCOYEG-ZIAGYGMSSA-N 2 0 241.423 1.681 20 0 BDADRP CC1(C)CC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903730836 584793256 /nfs/dbraw/zinc/79/32/56/584793256.db2.gz ZXGZBPFEPUEUPH-JSGCOSHPSA-N 2 0 238.375 1.487 20 0 BDADRP C[NH2+][C@@H]1CCCN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000903715881 584794278 /nfs/dbraw/zinc/79/42/78/584794278.db2.gz BDUUHJBVQLLQFT-QWHCGFSZSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@@H]1C[NH+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@H]1C ZINC000903734756 584795998 /nfs/dbraw/zinc/79/59/98/584795998.db2.gz WCRDMKKGOFXUOV-YIYPIFLZSA-N 2 0 238.375 1.343 20 0 BDADRP CC[N@H+](C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CCC1 ZINC000903735141 584796229 /nfs/dbraw/zinc/79/62/29/584796229.db2.gz YBPOVFHICNJNSC-ZIAGYGMSSA-N 2 0 238.375 1.629 20 0 BDADRP CC(C)(C)[C@@H](C[NH3+])NC[C@@H]1CCCC[NH2+]C1 ZINC000903753741 584796231 /nfs/dbraw/zinc/79/62/31/584796231.db2.gz XUCUFGFYJMOICS-VXGBXAGGSA-N 2 0 227.396 1.339 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]1NC[C@H]1CCCC[NH2+]C1 ZINC000903752957 584796274 /nfs/dbraw/zinc/79/62/74/584796274.db2.gz QOHGOCJTIZQGFG-STQMWFEESA-N 2 0 239.407 1.354 20 0 BDADRP C([C@@H]1CCCC[NH2+]C1)N1CCC2(CC[NH2+]2)CC1 ZINC000903760709 584797590 /nfs/dbraw/zinc/79/75/90/584797590.db2.gz KKEMJIHJCZCHNT-CYBMUJFWSA-N 2 0 237.391 1.204 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1NC[C@H]1CCCC[NH2+]C1 ZINC000903762561 584797662 /nfs/dbraw/zinc/79/76/62/584797662.db2.gz AHOIFLTWBSNEAX-YNEHKIRRSA-N 2 0 225.380 1.236 20 0 BDADRP C[N@H+](CCc1cnccn1)C[C@H]1CCCC[NH2+]C1 ZINC000903755177 584798668 /nfs/dbraw/zinc/79/86/68/584798668.db2.gz BXJBGNSCFDGBJW-ZDUSSCGKSA-N 2 0 248.374 1.341 20 0 BDADRP CC1(C)CN(C[C@H]2CCCC[NH2+]C2)C[C@@H]1[NH3+] ZINC000903786169 584800283 /nfs/dbraw/zinc/80/02/83/584800283.db2.gz FUXULMYEZXZCAV-RYUDHWBXSA-N 2 0 225.380 1.045 20 0 BDADRP CC(C)C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903816254 584800797 /nfs/dbraw/zinc/80/07/97/584800797.db2.gz XBTBNLYZSFOMIA-UHFFFAOYSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000903826530 584804765 /nfs/dbraw/zinc/80/47/65/584804765.db2.gz LHHACTAAGJLDSA-XMEMRUQMSA-N 2 0 246.398 1.986 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCCSC[C@@H]1C ZINC000903829843 584805777 /nfs/dbraw/zinc/80/57/77/584805777.db2.gz MGQGBHICKAXACO-JTQLQIEISA-N 2 0 202.367 1.423 20 0 BDADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000903843355 584807714 /nfs/dbraw/zinc/80/77/14/584807714.db2.gz JHKZCCAJYBOERI-RFGFWPKPSA-N 3 0 237.391 1.188 20 0 BDADRP NC[C@]12CC[C@@H]1CC[N@@H+]2CCC1CC[NH2+]CC1 ZINC000903854129 584809082 /nfs/dbraw/zinc/80/90/82/584809082.db2.gz IDILPSJETCNEKE-ZIAGYGMSSA-N 2 0 237.391 1.189 20 0 BDADRP [NH3+]C[C@@]12CC[C@@H]1CCN2Cc1cccnc1 ZINC000903855630 584809434 /nfs/dbraw/zinc/80/94/34/584809434.db2.gz OAFCFNRAANCDJG-OLZOCXBDSA-N 2 0 217.316 1.395 20 0 BDADRP CC1CC(C[N@@H+]2CCC[C@@]23CC[NH2+]C3)C1 ZINC000903870667 584814892 /nfs/dbraw/zinc/81/48/92/584814892.db2.gz PFQKEXHLADXKJF-BPCQOVAHSA-N 2 0 208.349 1.860 20 0 BDADRP Cc1ccnc(C2CC[NH+](CCC[NH3+])CC2)n1 ZINC000903871104 584815299 /nfs/dbraw/zinc/81/52/99/584815299.db2.gz NHJHCBSCESFKID-UHFFFAOYSA-N 2 0 234.347 1.313 20 0 BDADRP C[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(C)(C)C[NH3+] ZINC000903873010 584815463 /nfs/dbraw/zinc/81/54/63/584815463.db2.gz DAQBXXROYCNBLK-YHWZYXNKSA-N 3 0 239.407 1.434 20 0 BDADRP CC(C)[N@@H+]1CCCN(C[C@H]([NH3+])CC(F)F)CC1 ZINC000903872836 584815471 /nfs/dbraw/zinc/81/54/71/584815471.db2.gz JYOJJALPHASCMH-LLVKDONJSA-N 2 0 249.349 1.385 20 0 BDADRP CC(C)CC[C@H](O)CN1CCC[C@@]12CC[NH2+]C2 ZINC000903871409 584815494 /nfs/dbraw/zinc/81/54/94/584815494.db2.gz UEZVTYBOIKBLDM-KBPBESRZSA-N 2 0 240.391 1.611 20 0 BDADRP CCC[C@@H]1C[NH2+]CCN1C[C@@H]([NH3+])CC(F)F ZINC000903873339 584815956 /nfs/dbraw/zinc/81/59/56/584815956.db2.gz HFNMFEFTFLNOAZ-VHSXEESVSA-N 2 0 235.322 1.043 20 0 BDADRP C[NH2+]CCC1CCN(C[C@H]([NH3+])CC(F)F)CC1 ZINC000903873905 584815983 /nfs/dbraw/zinc/81/59/83/584815983.db2.gz NWBQDLVQCGAUCG-LLVKDONJSA-N 2 0 249.349 1.290 20 0 BDADRP C[C@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@H]1[NH3+] ZINC000903873748 584816073 /nfs/dbraw/zinc/81/60/73/584816073.db2.gz MDMGLMMFRIVLEY-APYLGABCSA-N 3 0 237.391 1.186 20 0 BDADRP CC[C@@H]1CN(C[C@@H]([NH3+])CC(F)F)CC[C@@H]1[NH3+] ZINC000903873713 584816187 /nfs/dbraw/zinc/81/61/87/584816187.db2.gz LFBFBKOUGNVZBC-UTLUCORTSA-N 2 0 235.322 1.028 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903873901 584816201 /nfs/dbraw/zinc/81/62/01/584816201.db2.gz NURKZVFAPRPYIA-FUDCBSFHSA-N 3 0 237.391 1.188 20 0 BDADRP [NH3+]CCC[N@@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000903875951 584816379 /nfs/dbraw/zinc/81/63/79/584816379.db2.gz UOANOEHQCYLEHK-STQMWFEESA-N 2 0 226.364 1.474 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000903874481 584816531 /nfs/dbraw/zinc/81/65/31/584816531.db2.gz BQXLDRJMAQMPEU-ZIAGYGMSSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@]1(C2CC2)COCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903882002 584817655 /nfs/dbraw/zinc/81/76/55/584817655.db2.gz LQMYBYYNSVJQOC-KWCYVHTRSA-N 2 0 238.375 1.615 20 0 BDADRP CN(C[C@H]([NH3+])CC(F)F)[C@H](CO)C(C)(C)C ZINC000903898180 584819982 /nfs/dbraw/zinc/81/99/82/584819982.db2.gz LNFMTFQBLFCSDQ-RKDXNWHRSA-N 2 0 238.322 1.308 20 0 BDADRP [NH3+][C@@H](C[NH2+]C1(CO)CCCCC1)CC(F)F ZINC000903905472 584820945 /nfs/dbraw/zinc/82/09/45/584820945.db2.gz GQUMPWOIWJOWLK-SECBINFHSA-N 2 0 236.306 1.254 20 0 BDADRP C[C@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1CO ZINC000903908729 584821741 /nfs/dbraw/zinc/82/17/41/584821741.db2.gz OVWOGFBSJBXENW-WYTNZGFTSA-N 2 0 238.375 1.220 20 0 BDADRP CC[N@@H+]1C[C@H](C)N(C[C@@H]([NH3+])CC(F)F)C[C@H]1C ZINC000903909989 584821959 /nfs/dbraw/zinc/82/19/59/584821959.db2.gz ZCDFNKQKWSMOEY-VWYCJHECSA-N 2 0 249.349 1.383 20 0 BDADRP [NH3+][C@H](CC(F)F)CN1CCC2(CC[NH2+]C2)CC1 ZINC000903918358 584822766 /nfs/dbraw/zinc/82/27/66/584822766.db2.gz XPTHLKZJSSBPAJ-SNVBAGLBSA-N 2 0 247.333 1.044 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918824 584823049 /nfs/dbraw/zinc/82/30/49/584823049.db2.gz IVSLMSVUIMXKMZ-PSEXLTFBSA-N 3 0 237.391 1.247 20 0 BDADRP C[C@@H](NCc1cccc2c1CC[NH2+]C2)[C@H](C)[NH3+] ZINC000903920516 584823314 /nfs/dbraw/zinc/82/33/14/584823314.db2.gz VMCQAJIKTUZYLX-WDEREUQCSA-N 2 0 233.359 1.158 20 0 BDADRP CC[C@H]([NH2+]C[C@H]([NH3+])CC(F)F)[C@@H]1CCCO1 ZINC000903923364 584823857 /nfs/dbraw/zinc/82/38/57/584823857.db2.gz RRPCCWOLHVBRSI-UTLUCORTSA-N 2 0 236.306 1.516 20 0 BDADRP CC[NH+](CC)CCCNC[C@@H]([NH3+])CC(F)F ZINC000903925866 584823918 /nfs/dbraw/zinc/82/39/18/584823918.db2.gz IJFOSTDNGDQQNJ-JTQLQIEISA-N 2 0 237.338 1.290 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903930206 584824491 /nfs/dbraw/zinc/82/44/91/584824491.db2.gz UWBOBUJFGHOGHO-ZLMOABSSSA-N 3 0 237.391 1.377 20 0 BDADRP CC(C)([NH3+])CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000903939321 584824833 /nfs/dbraw/zinc/82/48/33/584824833.db2.gz FXMYSQRDVIPFCA-IJLUTSLNSA-N 3 0 225.380 1.092 20 0 BDADRP CN(CC[NH+]1CCCCC1)C[C@@H]([NH3+])CC(F)F ZINC000903932145 584824980 /nfs/dbraw/zinc/82/49/80/584824980.db2.gz NBLIOHXDBREQCO-NSHDSACASA-N 2 0 249.349 1.387 20 0 BDADRP [NH3+][C@@H](CN[C@@H]1CC[NH2+]C12CCCC2)CC(F)F ZINC000903932874 584825059 /nfs/dbraw/zinc/82/50/59/584825059.db2.gz WVXNPAYCIZHWTI-NXEZZACHSA-N 2 0 247.333 1.233 20 0 BDADRP COC[C@H](C)C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903959910 584827778 /nfs/dbraw/zinc/82/77/78/584827778.db2.gz RPMCFGJTLHBBJR-ZIAGYGMSSA-N 2 0 240.391 1.735 20 0 BDADRP [NH3+]CC1(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000903959172 584827846 /nfs/dbraw/zinc/82/78/46/584827846.db2.gz CKYWJIIBMFEJJP-AWEZNQCLSA-N 3 0 237.391 1.191 20 0 BDADRP CC[N@@H+]1CC[C@@H](NCCC(C)(C)[NH3+])[C@H](C)C1 ZINC000903939858 584828939 /nfs/dbraw/zinc/82/89/39/584828939.db2.gz PBGKLCBLCPDMDA-VXGBXAGGSA-N 2 0 227.396 1.434 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)NCCC(C)(C)[NH3+] ZINC000903939958 584828975 /nfs/dbraw/zinc/82/89/75/584828975.db2.gz RMEHNQKNXBREKU-MNOVXSKESA-N 2 0 213.369 1.234 20 0 BDADRP CCC1([NH3+])CCN([C@@H]2C[NH2+]C[C@H](C)C2)CC1 ZINC000903947988 584829454 /nfs/dbraw/zinc/82/94/54/584829454.db2.gz KFWAXCZHRACIAY-NEPJUHHUSA-N 2 0 225.380 1.188 20 0 BDADRP CCC1([NH3+])CCN([C@@H]2CCC[NH2+]CC2)CC1 ZINC000903948195 584829924 /nfs/dbraw/zinc/82/99/24/584829924.db2.gz MYHPGANKOKIEEP-GFCCVEGCSA-N 2 0 225.380 1.332 20 0 BDADRP c1c(C[NH2+]CC2CC[NH2+]CC2)onc1C1CC1 ZINC000903953885 584831698 /nfs/dbraw/zinc/83/16/98/584831698.db2.gz MLSLSEQGHFWAIO-UHFFFAOYSA-N 2 0 235.331 1.641 20 0 BDADRP CC(C)[C@@H](C[NH3+])CNC[C@H]1C[NH2+]CCC1(F)F ZINC000903956361 584832242 /nfs/dbraw/zinc/83/22/42/584832242.db2.gz KAGWQTRJFQFIOW-WDEREUQCSA-N 2 0 249.349 1.052 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903979018 584833255 /nfs/dbraw/zinc/83/32/55/584833255.db2.gz RZIAADFTDCUTET-SYQHCUMBSA-N 3 0 239.407 1.352 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1NC1CC[NH+](C(C)(C)C)CC1 ZINC000903963930 584834152 /nfs/dbraw/zinc/83/41/52/584834152.db2.gz JVWYXNJFKGMAEC-DGCLKSJQSA-N 2 0 239.407 1.447 20 0 BDADRP Cc1cccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903965134 584834489 /nfs/dbraw/zinc/83/44/89/584834489.db2.gz WYOMECSMTCEJHC-OCCSQVGLSA-N 2 0 218.344 1.940 20 0 BDADRP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000903987050 584835809 /nfs/dbraw/zinc/83/58/09/584835809.db2.gz XJOWVPCQVNZHSO-DEQVHRJGSA-N 2 0 238.375 1.674 20 0 BDADRP C[C@@H]1CN(C[C@H]([NH3+])CCC(C)(C)C)CC[C@H]1[NH3+] ZINC000904299581 584860608 /nfs/dbraw/zinc/86/06/08/584860608.db2.gz IRHMIBFIUJJWDD-JHJVBQTASA-N 2 0 241.423 1.809 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCCN(C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904299853 584860769 /nfs/dbraw/zinc/86/07/69/584860769.db2.gz PSGRBYCAENFMGN-BFHYXJOUSA-N 2 0 239.407 1.435 20 0 BDADRP C[C@H](C[NH3+])N(C)C[C@@H]([NH3+])CCC(C)(C)C ZINC000904299905 584860899 /nfs/dbraw/zinc/86/08/99/584860899.db2.gz QZRLFHGQLVPOHN-MNOVXSKESA-N 2 0 215.385 1.419 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC000904299535 584860939 /nfs/dbraw/zinc/86/09/39/584860939.db2.gz GYKAFDJMQGTYBW-CYBMUJFWSA-N 2 0 246.354 1.792 20 0 BDADRP [NH3+]Cc1ccc(CN(C2CC2)[C@@H]2CC[NH2+]C2)cc1 ZINC000904301676 584861145 /nfs/dbraw/zinc/86/11/45/584861145.db2.gz OJUFRWRAOUNTNF-OAHLLOKOSA-N 2 0 245.370 1.472 20 0 BDADRP C[NH2+][C@H]1CCCN(C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC000904300219 584861310 /nfs/dbraw/zinc/86/13/10/584861310.db2.gz ZAYIVUCNBVNHQI-STQMWFEESA-N 2 0 241.423 1.824 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CN1CC[NH2+]CC1(C)C ZINC000904301329 584861479 /nfs/dbraw/zinc/86/14/79/584861479.db2.gz KNCRUAQYDZNOLH-GFCCVEGCSA-N 2 0 241.423 1.824 20 0 BDADRP C[N@@H+](Cc1cccc(O)c1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904301380 584861531 /nfs/dbraw/zinc/86/15/31/584861531.db2.gz FJTUYIJGVFBJFA-TXEJJXNPSA-N 2 0 220.316 1.561 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@H]2c2ccc[nH]2)C1 ZINC000904302480 584861696 /nfs/dbraw/zinc/86/16/96/584861696.db2.gz VCXXVBANPSDHOL-LOWVWBTDSA-N 2 0 219.332 1.889 20 0 BDADRP C[C@H]1[NH2+]CCN(Cc2ccc(C[NH3+])cc2)[C@H]1C ZINC000904301718 584861707 /nfs/dbraw/zinc/86/17/07/584861707.db2.gz PQJKWSVTMGWJMI-NEPJUHHUSA-N 2 0 233.359 1.328 20 0 BDADRP CC[C@@H]1C[N@H+](Cc2ccc(C[NH3+])cc2)CC[C@@H]1[NH3+] ZINC000904302053 584862030 /nfs/dbraw/zinc/86/20/30/584862030.db2.gz UKGMLMLWAAYOAT-CABCVRRESA-N 2 0 247.386 1.705 20 0 BDADRP C[C@@H](C1CC1)[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000904310304 584862695 /nfs/dbraw/zinc/86/26/95/584862695.db2.gz ZPYNWJDAAZZEIM-JBLDHEPKSA-N 2 0 208.349 1.987 20 0 BDADRP C[C@H](Cc1ccc(O)cc1)[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904320565 584864371 /nfs/dbraw/zinc/86/43/71/584864371.db2.gz LGJBSOMGEKHVPS-BNOWGMLFSA-N 2 0 248.370 1.992 20 0 BDADRP C[N@H+](CCC1CCOCC1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904323622 584864391 /nfs/dbraw/zinc/86/43/91/584864391.db2.gz PVAUKAICGQRNBZ-BETUJISGSA-N 2 0 226.364 1.472 20 0 BDADRP C[C@H](O)[C@@H]1CCC[N@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904328236 584865527 /nfs/dbraw/zinc/86/55/27/584865527.db2.gz BSFIKTOZJSTUDJ-BFHYXJOUSA-N 2 0 240.391 1.469 20 0 BDADRP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904325299 584865591 /nfs/dbraw/zinc/86/55/91/584865591.db2.gz VHXFEQGZKVCVKI-MJBXVCDLSA-N 3 0 239.407 1.530 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])C[NH2+]C(C)(C)CCO ZINC000904328422 584865688 /nfs/dbraw/zinc/86/56/88/584865688.db2.gz DVVUJIOHHYRVTH-LLVKDONJSA-N 2 0 230.396 1.891 20 0 BDADRP COc1cccc2c1CC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904331990 584865883 /nfs/dbraw/zinc/86/58/83/584865883.db2.gz MFOKLLUBKOFOKW-BJHJDKERSA-N 2 0 246.354 1.791 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CN1CCCOCC1 ZINC000904336006 584866717 /nfs/dbraw/zinc/86/67/17/584866717.db2.gz LJHBBWUSXABXBE-LBPRGKRZSA-N 2 0 228.380 1.862 20 0 BDADRP C[C@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H](C2CC2)O1 ZINC000904342343 584866999 /nfs/dbraw/zinc/86/69/99/584866999.db2.gz DQYVGDGOYRRUQZ-DJIHRAIXSA-N 2 0 224.348 1.223 20 0 BDADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904341795 584867198 /nfs/dbraw/zinc/86/71/98/584867198.db2.gz WBYCLVDSBDGGLB-FRRDWIJNSA-N 3 0 225.380 1.140 20 0 BDADRP COCC1(C)CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904343789 584867954 /nfs/dbraw/zinc/86/79/54/584867954.db2.gz XBRAVWRAYXQJKO-TXEJJXNPSA-N 2 0 226.364 1.472 20 0 BDADRP C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904349742 584868785 /nfs/dbraw/zinc/86/87/85/584868785.db2.gz ASPPQSCTNVNSCI-DOLQZWNJSA-N 2 0 236.281 1.996 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000904350093 584869097 /nfs/dbraw/zinc/86/90/97/584869097.db2.gz HUKVUCIMMRPUAB-UPJWGTAASA-N 2 0 239.407 1.434 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000904350648 584869194 /nfs/dbraw/zinc/86/91/94/584869194.db2.gz OBSAEGCFOQXYSZ-JBLDHEPKSA-N 2 0 219.332 1.856 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000904350856 584869503 /nfs/dbraw/zinc/86/95/03/584869503.db2.gz QVVIASNYPGFRTC-BNOWGMLFSA-N 3 0 237.391 1.045 20 0 BDADRP C[N@H+](Cc1ccc2c(c1)CCCO2)C1CC([NH3+])C1 ZINC000904351238 584869645 /nfs/dbraw/zinc/86/96/45/584869645.db2.gz VLROFYHAULERTJ-UHFFFAOYSA-N 2 0 246.354 1.933 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CN[C@H]1CC[NH2+]C1 ZINC000904353058 584869797 /nfs/dbraw/zinc/86/97/97/584869797.db2.gz HDUVWYNEVSOKMQ-MNOVXSKESA-N 2 0 213.369 1.092 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000904353590 584869996 /nfs/dbraw/zinc/86/99/96/584869996.db2.gz OFPKNLNJYLVEDQ-CHWSQXEVSA-N 2 0 241.423 1.729 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000904353173 584870039 /nfs/dbraw/zinc/87/00/39/584870039.db2.gz HQTJXXQOPFMQGU-AWEZNQCLSA-N 3 0 233.359 1.235 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000904354161 584870204 /nfs/dbraw/zinc/87/02/04/584870204.db2.gz BQWGAUMCYFPITL-RYUDHWBXSA-N 3 0 213.369 1.093 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CN[C@@H]1CCC[NH2+]C1 ZINC000904354071 584870272 /nfs/dbraw/zinc/87/02/72/584870272.db2.gz VSSMANMNBUUSFR-NWDGAFQWSA-N 2 0 227.396 1.482 20 0 BDADRP C[NH2+]CCCNC[C@H]([NH3+])CCC(C)(C)C ZINC000904354085 584870310 /nfs/dbraw/zinc/87/03/10/584870310.db2.gz WDLKDARFXFELHN-LLVKDONJSA-N 2 0 215.385 1.339 20 0 BDADRP C[C@@H](C[NH3+])NC[C@H]([NH3+])CCC(C)(C)C ZINC000904355017 584870608 /nfs/dbraw/zinc/87/06/08/584870608.db2.gz JVDLXZDWOSBTSE-VHSXEESVSA-N 2 0 201.358 1.077 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CNC1(C)CC[NH2+]CC1 ZINC000904355405 584870620 /nfs/dbraw/zinc/87/06/20/584870620.db2.gz NETGNFRAAZEDNA-GFCCVEGCSA-N 2 0 241.423 1.872 20 0 BDADRP C[C@H](CC[NH3+])NC[C@@H]([NH3+])CCC(C)(C)C ZINC000904355389 584870648 /nfs/dbraw/zinc/87/06/48/584870648.db2.gz NAIOREJYPIRSIJ-MNOVXSKESA-N 2 0 215.385 1.467 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H]([NH3+])CCC(C)(C)C ZINC000904356353 584871267 /nfs/dbraw/zinc/87/12/67/584871267.db2.gz WIYVLAGHRIWJAP-FRRDWIJNSA-N 2 0 241.423 1.728 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000904355618 584871296 /nfs/dbraw/zinc/87/12/96/584871296.db2.gz UWHQHEUYQXNNAM-XQQFMLRXSA-N 3 0 225.380 1.093 20 0 BDADRP CN(C)C(=O)CC[NH2+]C[C@@H]([NH3+])CCC(C)(C)C ZINC000904360165 584871692 /nfs/dbraw/zinc/87/16/92/584871692.db2.gz IRNJXDKRDUAUBS-NSHDSACASA-N 2 0 243.395 1.208 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+]Cc2nc(C3CC3)cs2)C1 ZINC000904361945 584871994 /nfs/dbraw/zinc/87/19/94/584871994.db2.gz CVDPUNXCMUZSDM-WAAGHKOSSA-N 2 0 237.372 1.847 20 0 BDADRP CC1(C)CN(C[C@]2(C)CCC[NH2+]C2)CC[NH2+]1 ZINC000904358566 584872290 /nfs/dbraw/zinc/87/22/90/584872290.db2.gz PWLITHWXMCGMJL-CYBMUJFWSA-N 2 0 225.380 1.060 20 0 BDADRP CN(C)[C@@H](C[NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccccc1 ZINC000904369159 584873117 /nfs/dbraw/zinc/87/31/17/584873117.db2.gz ZZRHJAUOJRLWDO-CFVMTHIKSA-N 2 0 247.386 1.616 20 0 BDADRP Cc1cccc(CC[NH2+]C[C@H]2C[C@@H]([NH3+])C2)n1 ZINC000904369439 584873336 /nfs/dbraw/zinc/87/33/36/584873336.db2.gz WOHVZHVACQNOTD-TXEJJXNPSA-N 2 0 219.332 1.259 20 0 BDADRP CN(C)[C@H](C[NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccccc1 ZINC000904369160 584873419 /nfs/dbraw/zinc/87/34/19/584873419.db2.gz ZZRHJAUOJRLWDO-VHDGCEQUSA-N 2 0 247.386 1.616 20 0 BDADRP C[C@]1(CN2CCC3(CC[NH2+]3)CC2)CCC[NH2+]C1 ZINC000904374014 584873692 /nfs/dbraw/zinc/87/36/92/584873692.db2.gz YCJNEFXTEBHVCF-ZDUSSCGKSA-N 2 0 237.391 1.204 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@]1(C)CCC[NH2+]C1 ZINC000904372726 584873707 /nfs/dbraw/zinc/87/37/07/584873707.db2.gz HTXUJXVCJWHCKN-RWMBFGLXSA-N 2 0 225.380 1.106 20 0 BDADRP [NH3+][C@H]1C[C@@H](CN2C[C@@H]([NH3+])Cc3ccccc32)C1 ZINC000904373521 584873725 /nfs/dbraw/zinc/87/37/25/584873725.db2.gz SFHWZTTULJWGNV-UHTWSYAYSA-N 2 0 231.343 1.114 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)C1 ZINC000904373208 584873994 /nfs/dbraw/zinc/87/39/94/584873994.db2.gz CJFKADASNBNJCQ-MQYQWHSLSA-N 2 0 238.375 1.615 20 0 BDADRP [NH3+][C@H]1C[C@@H](CN2C[C@H]([NH3+])Cc3ccccc32)C1 ZINC000904373520 584874117 /nfs/dbraw/zinc/87/41/17/584874117.db2.gz SFHWZTTULJWGNV-KGYLQXTDSA-N 2 0 231.343 1.114 20 0 BDADRP C[C@@H](COCC(F)(F)F)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904362969 584874311 /nfs/dbraw/zinc/87/43/11/584874311.db2.gz VNZOJBREPFOWSF-XHNCKOQMSA-N 2 0 240.269 1.281 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000904363704 584874353 /nfs/dbraw/zinc/87/43/53/584874353.db2.gz MFTCJBJRPNMNBV-ZIAGYGMSSA-N 2 0 242.407 1.763 20 0 BDADRP CCN1CCCC[C@@H]1C[NH2+]C1CC(C[NH3+])C1 ZINC000904362822 584874416 /nfs/dbraw/zinc/87/44/16/584874416.db2.gz SPVPCLYNDPUTJE-WXRRBKDZSA-N 2 0 225.380 1.188 20 0 BDADRP Cn1ccc([C@@H]2CCC[N@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)n1 ZINC000904388369 584875071 /nfs/dbraw/zinc/87/50/71/584875071.db2.gz IAJVEHZOMHFWSH-UPJWGTAASA-N 2 0 248.374 1.337 20 0 BDADRP C[C@]1(C[NH+]2CCC(CC[NH3+])CC2)CCC[NH2+]C1 ZINC000904375586 584875587 /nfs/dbraw/zinc/87/55/87/584875587.db2.gz CGNXYSYUSRREFF-AWEZNQCLSA-N 3 0 239.407 1.437 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1nccn1C1CC1 ZINC000904389202 584875692 /nfs/dbraw/zinc/87/56/92/584875692.db2.gz TYCNNFFYEZOONX-VXGBXAGGSA-N 2 0 248.374 1.553 20 0 BDADRP CN(C[C@H]([NH3+])CCC(C)(C)C)CC(C)(C)[NH3+] ZINC000904377691 584876004 /nfs/dbraw/zinc/87/60/04/584876004.db2.gz XFDUOFMGYMDIQT-LLVKDONJSA-N 2 0 229.412 1.809 20 0 BDADRP C[C@@]1(C[NH2+]Cc2cccc(N)c2)CCC[NH2+]C1 ZINC000904377860 584876070 /nfs/dbraw/zinc/87/60/70/584876070.db2.gz ZQQMKINANSSTHL-CQSZACIVSA-N 2 0 233.359 1.748 20 0 BDADRP [NH3+]CCC1CC[NH+](Cc2ccc(C[NH3+])cc2)CC1 ZINC000904376253 584876160 /nfs/dbraw/zinc/87/61/60/584876160.db2.gz NKSDRPZFVXXFTD-UHFFFAOYSA-N 3 0 247.386 1.706 20 0 BDADRP CC(C)([NH3+])CCNC[C@]1(C)CCC[NH2+]C1 ZINC000904386275 584877941 /nfs/dbraw/zinc/87/79/41/584877941.db2.gz VHLOITNPEDVEOR-GFCCVEGCSA-N 2 0 213.369 1.093 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1NC[C@@H]([NH3+])CCC(C)(C)C ZINC000904380534 584876913 /nfs/dbraw/zinc/87/69/13/584876913.db2.gz DRFYFENPYFBBTQ-SDDRHHMPSA-N 2 0 227.396 1.480 20 0 BDADRP CN(CCOCC[NH3+])C[C@@H]([NH3+])CCC(C)(C)C ZINC000904381925 584877066 /nfs/dbraw/zinc/87/70/66/584877066.db2.gz YCKNMQJVRKWTLU-LBPRGKRZSA-N 2 0 245.411 1.047 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCCn3nccc32)C1 ZINC000904384845 584877112 /nfs/dbraw/zinc/87/71/12/584877112.db2.gz NTUUIVFKGICVQL-OUAUKWLOSA-N 2 0 220.320 1.045 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CN1C[C@@H]2COC[C@@H]2C1 ZINC000904385323 584877914 /nfs/dbraw/zinc/87/79/14/584877914.db2.gz VPTVVMZASHHUIS-FRRDWIJNSA-N 2 0 240.391 1.718 20 0 BDADRP COc1ccsc1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000904406659 584878292 /nfs/dbraw/zinc/87/82/92/584878292.db2.gz UAFUROGTJWPOBL-JTQLQIEISA-N 2 0 240.372 1.927 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccc(C[NH3+])cc2)CC[C@@H]1C[NH3+] ZINC000904410920 584878900 /nfs/dbraw/zinc/87/89/00/584878900.db2.gz RSEHBIOTRIALNU-SWLSCSKDSA-N 3 0 247.386 1.562 20 0 BDADRP C[C@@H]1C[N@H+](C[C@]2(C)CCC[NH2+]C2)CC[C@@H]1C[NH3+] ZINC000904410604 584879103 /nfs/dbraw/zinc/87/91/03/584879103.db2.gz PPAIRWRQTKHFHN-MGPQQGTHSA-N 3 0 239.407 1.293 20 0 BDADRP Cc1n[nH]cc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000904412327 584879627 /nfs/dbraw/zinc/87/96/27/584879627.db2.gz SCVUIHPXPRRHSU-ONGXEEELSA-N 2 0 222.336 1.135 20 0 BDADRP Cc1nn(C)cc1C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000904412180 584879824 /nfs/dbraw/zinc/87/98/24/584879824.db2.gz RUTMRIOKRARMCU-ZYHUDNBSSA-N 2 0 236.363 1.145 20 0 BDADRP Cc1ccc(CN2CC[NH2+]CC[NH2+]CC2)s1 ZINC000904397319 584880214 /nfs/dbraw/zinc/88/02/14/584880214.db2.gz CXCYCJOKSSRXFL-UHFFFAOYSA-N 2 0 239.388 1.051 20 0 BDADRP Oc1cccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000904421002 584882203 /nfs/dbraw/zinc/88/22/03/584882203.db2.gz KYCITDRONJZJGR-QWHCGFSZSA-N 2 0 232.327 1.434 20 0 BDADRP CC[NH+](CC)CC(=O)N[C@H](C[NH+](C)C)C(C)C ZINC000733166370 584943817 /nfs/dbraw/zinc/94/38/17/584943817.db2.gz HZTGNMWPWHNOAS-GFCCVEGCSA-N 2 0 243.395 1.031 20 0 BDADRP C[C@H]([NH2+]CC1C[NH2+]C1)c1ccc2c(c1)CCO2 ZINC000817965764 584993050 /nfs/dbraw/zinc/99/30/50/584993050.db2.gz UZICMJDGDQKVQL-JTQLQIEISA-N 2 0 232.327 1.492 20 0 BDADRP COCC[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000361674981 585025147 /nfs/dbraw/zinc/02/51/47/585025147.db2.gz JBCWAYDKFXECLB-MELADBBJSA-N 2 0 240.391 1.828 20 0 BDADRP Cc1ccccc1[C@H](O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000741783340 585118509 /nfs/dbraw/zinc/11/85/09/585118509.db2.gz ZOVGMTPETUYDGW-VNHYZAJKSA-N 2 0 246.354 1.180 20 0 BDADRP Cc1ccccc1[C@H](O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000741783338 585118675 /nfs/dbraw/zinc/11/86/75/585118675.db2.gz ZOVGMTPETUYDGW-UMVBOHGHSA-N 2 0 246.354 1.180 20 0 BDADRP O[C@@H](C[NH2+]C1CC(C(F)F)C1)C[NH+]1CCCC1 ZINC000768686691 585542007 /nfs/dbraw/zinc/54/20/07/585542007.db2.gz IULYBWHFYXTIMV-ILDUYXDCSA-N 2 0 248.317 1.076 20 0 BDADRP CC(C)(C)OC1CC([NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000775937104 585687985 /nfs/dbraw/zinc/68/79/85/585687985.db2.gz BKDFMIMMGRXPSI-ZSVAQUKISA-N 2 0 238.375 1.484 20 0 BDADRP CC(C)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000777402256 585711591 /nfs/dbraw/zinc/71/15/91/585711591.db2.gz VIGXKWLLMCCKAI-UHFFFAOYSA-N 2 0 239.407 1.354 20 0 BDADRP C[C@H](CCO)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000779343790 585752140 /nfs/dbraw/zinc/75/21/40/585752140.db2.gz UBPZKEOHFUMRFF-CYBMUJFWSA-N 2 0 228.380 1.469 20 0 BDADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)CCO)C1 ZINC000779346093 585752243 /nfs/dbraw/zinc/75/22/43/585752243.db2.gz UHNSWFLGDFINJL-OLZOCXBDSA-N 2 0 228.380 1.467 20 0 BDADRP CC[C@](C)(CC(=O)OC)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000843069834 585943851 /nfs/dbraw/zinc/94/38/51/585943851.db2.gz STCHYEOAALNZCV-DGCLKSJQSA-N 2 0 242.363 1.307 20 0 BDADRP Cc1cc([C@H](C)[NH2+]CCCC[NH+](C)C)n(C)n1 ZINC000793530874 586021869 /nfs/dbraw/zinc/02/18/69/586021869.db2.gz YWZHLCVOBLQIKF-LBPRGKRZSA-N 2 0 238.379 1.721 20 0 BDADRP O[C@@H](CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000808711969 586483753 /nfs/dbraw/zinc/48/37/53/586483753.db2.gz XPJFARNNPIGSNZ-KFWWJZLASA-N 2 0 246.354 1.261 20 0 BDADRP C[C@H](NCC[N@@H+]1CCC[C@@H]1C)[C@H]1CCC[NH2+]1 ZINC000817912357 586831278 /nfs/dbraw/zinc/83/12/78/586831278.db2.gz GJFOLGAYJMAQTG-RWMBFGLXSA-N 2 0 225.380 1.201 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCSC(F)(F)F ZINC000817889510 586831871 /nfs/dbraw/zinc/83/18/71/586831871.db2.gz OIHFBVKVVADBAG-RNFRBKRXSA-N 2 0 228.283 1.709 20 0 BDADRP CCc1cc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])[nH]n1 ZINC000817891566 586832878 /nfs/dbraw/zinc/83/28/78/586832878.db2.gz DFEWCEVRJBJPSO-JOYOIKCWSA-N 2 0 222.336 1.189 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCOc1cccnc1 ZINC000817891808 586832987 /nfs/dbraw/zinc/83/29/87/586832987.db2.gz HJCZYSBYANPYFS-UONOGXRCSA-N 2 0 249.358 1.710 20 0 BDADRP CS[C@@H]1CC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])C1 ZINC000817898067 586835320 /nfs/dbraw/zinc/83/53/20/586835320.db2.gz ZFGCFWMVZBDKMA-ZRUFSTJUSA-N 2 0 216.394 1.986 20 0 BDADRP CSC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000817898218 586835372 /nfs/dbraw/zinc/83/53/72/586835372.db2.gz CIRWURWZUWGVEW-DTWKUNHWSA-N 2 0 202.367 1.597 20 0 BDADRP C[C@H](C[C@@H](O)c1ccccc1)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000817905243 586837192 /nfs/dbraw/zinc/83/71/92/586837192.db2.gz KYVZDLJUIMBASC-TYNCELHUSA-N 2 0 248.370 1.696 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)c1ccco1 ZINC000817912326 586837846 /nfs/dbraw/zinc/83/78/46/586837846.db2.gz ABKRUQWMRKIQBX-QJPTWQEYSA-N 2 0 238.331 1.420 20 0 BDADRP C[C@@H]1CCC[N@@H+]1CCN[C@@H]1C[NH2+]CC[C@H]1C ZINC000817912272 586838345 /nfs/dbraw/zinc/83/83/45/586838345.db2.gz FTLFXAUBJNLQTB-JHJVBQTASA-N 2 0 225.380 1.058 20 0 BDADRP C[C@H](CN[C@@H](C)C[C@H](C)[NH3+])[NH+]1CCCCC1 ZINC000817913896 586839142 /nfs/dbraw/zinc/83/91/42/586839142.db2.gz PZCPYQDQJCSTOA-RWMBFGLXSA-N 2 0 227.396 1.576 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NCC[N@@H+]1CCC[C@@H]1C ZINC000817914430 586839808 /nfs/dbraw/zinc/83/98/08/586839808.db2.gz XGAOJDJQCFIIQM-SRVKXCTJSA-N 2 0 213.369 1.186 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCCCCO ZINC000817918040 586840406 /nfs/dbraw/zinc/84/04/06/586840406.db2.gz GMYFBUQSYUZSLR-OLZOCXBDSA-N 2 0 228.380 1.517 20 0 BDADRP C[C@H]([NH2+][C@H](CCO)Cc1ccccc1)C1C[NH2+]C1 ZINC000817927373 586841268 /nfs/dbraw/zinc/84/12/68/586841268.db2.gz FPQLNQSKCKOCSR-SWLSCSKDSA-N 2 0 248.370 1.178 20 0 BDADRP C[C@@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)C1C[NH2+]C1 ZINC000817925253 586841297 /nfs/dbraw/zinc/84/12/97/586841297.db2.gz TYAUQUAZUVHRPL-LLVKDONJSA-N 2 0 248.370 1.612 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccnc1F ZINC000817926844 586841367 /nfs/dbraw/zinc/84/13/67/586841367.db2.gz AUKKLDYREVSMEA-PWSUYJOCSA-N 2 0 237.322 1.828 20 0 BDADRP C[C@H]([NH2+]CCC[NH3+])c1ccnc(Cl)c1 ZINC000817938512 586844314 /nfs/dbraw/zinc/84/43/14/586844314.db2.gz LZGUJRPUTIQSII-QMMMGPOBSA-N 2 0 213.712 1.734 20 0 BDADRP Cc1ccc2c(c1)CC[C@@H]2[NH2+]CCC[NH3+] ZINC000817938054 586844508 /nfs/dbraw/zinc/84/45/08/586844508.db2.gz CLLAZOFVVFYFOF-ZDUSSCGKSA-N 2 0 204.317 1.921 20 0 BDADRP C[C@@H]([NH3+])C[NH2+][C@@H](C)CSC(C)(C)C ZINC000817971781 586858859 /nfs/dbraw/zinc/85/88/59/586858859.db2.gz PZQVZVXJONTRGC-BDAKNGLRSA-N 2 0 204.383 1.843 20 0 BDADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)C2CC2)C1 ZINC000819151912 586933581 /nfs/dbraw/zinc/93/35/81/586933581.db2.gz HSICJGYVBPFAKW-OCCSQVGLSA-N 2 0 240.391 1.325 20 0 BDADRP C[C@H]([NH2+]CCCO)c1cccc(C[NH+](C)C)c1 ZINC000820806077 587073353 /nfs/dbraw/zinc/07/33/53/587073353.db2.gz ZRASDWMAFVIJHR-LBPRGKRZSA-N 2 0 236.359 1.781 20 0 BDADRP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000824583835 587278141 /nfs/dbraw/zinc/27/81/41/587278141.db2.gz RVJWSWWTMMTVIV-UPJWGTAASA-N 2 0 226.364 1.221 20 0 BDADRP C[NH+](C)CCC1CC[NH+](CC[S@@](C)=O)CC1 ZINC000827802585 587403150 /nfs/dbraw/zinc/40/31/50/587403150.db2.gz HWWNCHWEZXJRQI-MRXNPFEDSA-N 2 0 246.420 1.029 20 0 BDADRP C[C@@H]1C[C@@H](NC(=O)c2cccc(C[NH3+])c2)CC[NH2+]1 ZINC000834673655 587763500 /nfs/dbraw/zinc/76/35/00/587763500.db2.gz TVBNOFYXGIFXCA-MFKMUULPSA-N 2 0 247.342 1.016 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]Cc1cnc2ccccc2c1 ZINC000841047752 587939212 /nfs/dbraw/zinc/93/92/12/587939212.db2.gz CHEIKRSPEZAJDG-NSHDSACASA-N 2 0 229.327 1.919 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000841072959 587942323 /nfs/dbraw/zinc/94/23/23/587942323.db2.gz SYOXTFNZEBVZRA-ZDCRXTMVSA-N 2 0 246.445 1.693 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000841072961 587943183 /nfs/dbraw/zinc/94/31/83/587943183.db2.gz SYOXTFNZEBVZRA-ZRUFSTJUSA-N 2 0 246.445 1.693 20 0 BDADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)CCCCC[NH3+] ZINC000841848803 587975928 /nfs/dbraw/zinc/97/59/28/587975928.db2.gz DFMRCMZAPCXCFW-ZDUSSCGKSA-N 2 0 243.395 1.385 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C[C@H]([NH3+])C2CC2)cc1 ZINC000841849171 587977816 /nfs/dbraw/zinc/97/78/16/587977816.db2.gz ZBRHGKCUOXFQAY-RNCFNFMXSA-N 2 0 247.342 1.772 20 0 BDADRP Cn1cnc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c1 ZINC000842222047 588007641 /nfs/dbraw/zinc/00/76/41/588007641.db2.gz XPIFTWLSKUQLRQ-GFCCVEGCSA-N 2 0 236.363 1.242 20 0 BDADRP CCCCOC(=O)CC[NH2+][C@@H](CN)C(C)(C)C ZINC000842475088 588028904 /nfs/dbraw/zinc/02/89/04/588028904.db2.gz ILSCQCAKSQXZAU-NSHDSACASA-N 2 0 244.379 1.683 20 0 BDADRP C[N@H+](CCCCCCC[NH3+])CC(=O)NC1CC1 ZINC000842471646 588029443 /nfs/dbraw/zinc/02/94/43/588029443.db2.gz OOWAJVQPQOBBJD-UHFFFAOYSA-N 2 0 241.379 1.106 20 0 BDADRP C[C@H]1C[N@H+](CCCCCCC[NH3+])[C@@H](C)CN1C ZINC000842476915 588029757 /nfs/dbraw/zinc/02/97/57/588029757.db2.gz XBTAFWUMHLZARX-KBPBESRZSA-N 2 0 241.423 1.920 20 0 BDADRP CC[NH2+]Cc1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000842649730 588049078 /nfs/dbraw/zinc/04/90/78/588049078.db2.gz CDQQTKDZVVQSIE-UHFFFAOYSA-N 2 0 232.287 1.305 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)COC3)C1 ZINC000843047193 588076071 /nfs/dbraw/zinc/07/60/71/588076071.db2.gz JIHYUQVIHZXCCI-ZDUSSCGKSA-N 2 0 246.354 1.888 20 0 BDADRP C[N@H+](Cc1ccc2c(c1)COC2)C1CC([NH3+])C1 ZINC000843125396 588083489 /nfs/dbraw/zinc/08/34/89/588083489.db2.gz VKMCHIXCSVZLBH-UHFFFAOYSA-N 2 0 232.327 1.638 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](Nc2ccc(OCC[NH3+])cc2)C1 ZINC000843125848 588084614 /nfs/dbraw/zinc/08/46/14/588084614.db2.gz JKQZMBMMSMDISA-AAEUAGOBSA-N 2 0 249.358 1.434 20 0 BDADRP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]CCCCCC[NH3+] ZINC000843128429 588085164 /nfs/dbraw/zinc/08/51/64/588085164.db2.gz JHUCHZISHXIPPF-QWHCGFSZSA-N 3 0 227.396 1.626 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[NH2+]CCCCCC[NH3+] ZINC000843129915 588085416 /nfs/dbraw/zinc/08/54/16/588085416.db2.gz UKPNIEUJKBERAL-GFCCVEGCSA-N 3 0 215.385 1.469 20 0 BDADRP CCc1nc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)co1 ZINC000843339841 588100857 /nfs/dbraw/zinc/10/08/57/588100857.db2.gz HHXIZDXEXDXIQC-SDDRHHMPSA-N 2 0 249.358 1.715 20 0 BDADRP C[C@@H]([NH2+]CCCCCC[NH3+])[C@@H]1CCC[NH2+]1 ZINC000843343678 588101340 /nfs/dbraw/zinc/10/13/40/588101340.db2.gz CUAUAWJLSIMVAO-NEPJUHHUSA-N 3 0 213.369 1.236 20 0 BDADRP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]CCCCCC[NH3+] ZINC000843342738 588101360 /nfs/dbraw/zinc/10/13/60/588101360.db2.gz SXJHKCDSLTULLC-GXTWGEPZSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@@H]1C[N@H+](CCOCC[NH3+])Cc2ccccc21 ZINC000843356269 588102897 /nfs/dbraw/zinc/10/28/97/588102897.db2.gz LCDGUMMABDSZEW-GFCCVEGCSA-N 2 0 234.343 1.581 20 0 BDADRP C[N@H+](CC[C@H]1CC[NH2+]C1)C1CCC([NH3+])CC1 ZINC000843354926 588103350 /nfs/dbraw/zinc/10/33/50/588103350.db2.gz LWVDDEQGOYPXEZ-PNESKVBLSA-N 3 0 225.380 1.188 20 0 BDADRP CCCCOC(=O)[C@@H](C)N1CC[C@@](C)(C[NH3+])C1 ZINC000843382786 588105321 /nfs/dbraw/zinc/10/53/21/588105321.db2.gz RXMLBZXPWDQPMP-YPMHNXCESA-N 2 0 242.363 1.389 20 0 BDADRP CC[NH2+]CC(=O)N1CCCC[C@H]1c1ncc[nH]1 ZINC000843488633 588115002 /nfs/dbraw/zinc/11/50/02/588115002.db2.gz IVBTVEDOXVNXHH-JTQLQIEISA-N 2 0 236.319 1.073 20 0 BDADRP Cn1nccc1[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000844222121 588174430 /nfs/dbraw/zinc/17/44/30/588174430.db2.gz VNDGFKVDMQAZJS-QWHCGFSZSA-N 2 0 248.374 1.209 20 0 BDADRP CN1CC[C@H]([NH2+]Cc2cccc3c2CCC3)C1 ZINC000845936769 588250803 /nfs/dbraw/zinc/25/08/03/588250803.db2.gz ZJDOSUIRABPEQI-AWEZNQCLSA-N 2 0 230.355 1.969 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@H+](CCCCCC[NH3+])C1 ZINC000846213895 588260381 /nfs/dbraw/zinc/26/03/81/588260381.db2.gz DMRZKGIFNRUGNA-CYBMUJFWSA-N 3 0 227.396 1.437 20 0 BDADRP CC[N@H+](CCCCCC[NH3+])C[C@H]1CCOC1 ZINC000846217798 588260412 /nfs/dbraw/zinc/26/04/12/588260412.db2.gz BZJUJDUUWLBWOY-CYBMUJFWSA-N 2 0 228.380 1.864 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](CCCCCC[NH3+])C1 ZINC000846220871 588261275 /nfs/dbraw/zinc/26/12/75/588261275.db2.gz WWOIXXHTJAPBQS-CQSZACIVSA-N 3 0 241.423 1.779 20 0 BDADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CCF)C2)C1 ZINC000846224772 588261557 /nfs/dbraw/zinc/26/15/57/588261557.db2.gz DFOXRSWUQNQLNK-IJLUTSLNSA-N 2 0 230.327 1.174 20 0 BDADRP [NH3+]CCCCCCNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000846680622 588282173 /nfs/dbraw/zinc/28/21/73/588282173.db2.gz SYZZZVWQVGTZCW-LBPRGKRZSA-N 2 0 241.379 1.011 20 0 BDADRP C[C@H]1C[C@H]([NH3+])CCN1C(=O)CCCCCC[NH3+] ZINC000846744152 588284376 /nfs/dbraw/zinc/28/43/76/588284376.db2.gz XIOGEOKFFMXRNY-NWDGAFQWSA-N 2 0 241.379 1.234 20 0 BDADRP Cc1ccc(OCC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107572790 588380812 /nfs/dbraw/zinc/38/08/12/588380812.db2.gz GPMWGFFLDBRDJY-OKILXGFUSA-N 2 0 246.354 1.525 20 0 BDADRP C[C@](O)(C[NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000848719483 588408569 /nfs/dbraw/zinc/40/85/69/588408569.db2.gz GRLYRACWLDKKOF-KKUMJFAQSA-N 2 0 248.370 1.754 20 0 BDADRP Cc1ccc([C@@H](O)C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000848722721 588408850 /nfs/dbraw/zinc/40/88/50/588408850.db2.gz PUTRIVXEOOFGNB-ZNMIVQPWSA-N 2 0 248.370 1.888 20 0 BDADRP Cc1cc(NC[C@H]2C[C@@H]([NH+](C)C)C2)nc(N)[nH+]1 ZINC000848755401 588412098 /nfs/dbraw/zinc/41/20/98/588412098.db2.gz PAIPOOKZSIPWKQ-AOOOYVTPSA-N 2 0 235.335 1.119 20 0 BDADRP CN(C)C(=[NH2+])NCC1([NH+](C)C)CCCCC1 ZINC000848981104 588423860 /nfs/dbraw/zinc/42/38/60/588423860.db2.gz LHCCQULDSRGVGW-UHFFFAOYSA-N 2 0 226.368 1.337 20 0 BDADRP CCNC(=[NH2+])NCCC[NH+]1CCC(C)CC1 ZINC000848982616 588424660 /nfs/dbraw/zinc/42/46/60/588424660.db2.gz KHJUZWUACWASJS-UHFFFAOYSA-N 2 0 226.368 1.242 20 0 BDADRP CC(C)[C@H](CNC1=[NH+]C[C@@H](C)N1)[NH+]1CCCC1 ZINC000848984109 588424943 /nfs/dbraw/zinc/42/49/43/588424943.db2.gz PIZMEKPMBBZAOJ-NEPJUHHUSA-N 2 0 238.379 1.044 20 0 BDADRP CC[C@@H](CNC1=[NH+]CCCN1C)[NH+]1CCCC1 ZINC000848986339 588425908 /nfs/dbraw/zinc/42/59/08/588425908.db2.gz DWAXSCDGSDVGOL-LBPRGKRZSA-N 2 0 238.379 1.142 20 0 BDADRP CNC(=[NH2+])NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000848988174 588426018 /nfs/dbraw/zinc/42/60/18/588426018.db2.gz KCYRJSVFIJVXDO-GHMZBOCLSA-N 2 0 226.368 1.098 20 0 BDADRP [NH2+]=C(NCC[NH+]1CCCCCC1)N1CCC1 ZINC000848987556 588426133 /nfs/dbraw/zinc/42/61/33/588426133.db2.gz GNHREFXHVDEMDG-UHFFFAOYSA-N 2 0 224.352 1.092 20 0 BDADRP C[C@@H]1CCCC[N@@H+]1CCNC(=[NH2+])NC1CC1 ZINC000848987759 588426213 /nfs/dbraw/zinc/42/62/13/588426213.db2.gz YNBLVNYSKNMUDY-SNVBAGLBSA-N 2 0 224.352 1.137 20 0 BDADRP C[C@H](CNC(=[NH2+])N1CCC1)[N@@H+]1CCCC[C@@H]1C ZINC000848987081 588426435 /nfs/dbraw/zinc/42/64/35/588426435.db2.gz HTCXHDVIFJDGLJ-NWDGAFQWSA-N 2 0 238.379 1.479 20 0 BDADRP CC[C@H](C)NC(=[NH2+])NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000848996495 588429074 /nfs/dbraw/zinc/42/90/74/588429074.db2.gz ZDMDDJDFTLSFEP-NWDGAFQWSA-N 2 0 240.395 1.629 20 0 BDADRP CCNC(=[NH2+])NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000848998720 588430097 /nfs/dbraw/zinc/43/00/97/588430097.db2.gz MSHJQGOHKYPRKV-LLVKDONJSA-N 2 0 226.368 1.241 20 0 BDADRP CNC(=[NH2+])NCc1ccc(-n2ccnc2)c(F)c1 ZINC000849014738 588436421 /nfs/dbraw/zinc/43/64/21/588436421.db2.gz ZYNWUCYBSOKSHD-UHFFFAOYSA-N 2 0 247.277 1.255 20 0 BDADRP C[C@H](CCNC(=[NH2+])N1CCC1)[NH+]1CCCCC1 ZINC000849018429 588438318 /nfs/dbraw/zinc/43/83/18/588438318.db2.gz UNIYTFMIDKQLOL-GFCCVEGCSA-N 2 0 238.379 1.481 20 0 BDADRP CCN(CC)C(=[NH2+])NC[C@H](C)C[NH+](C)C ZINC000849030263 588442313 /nfs/dbraw/zinc/44/23/13/588442313.db2.gz HCJUSXIECNWQKQ-JTQLQIEISA-N 2 0 214.357 1.050 20 0 BDADRP CC(C)CCNC(=[NH2+])NC[C@@H](C)C[NH+](C)C ZINC000849030637 588442668 /nfs/dbraw/zinc/44/26/68/588442668.db2.gz QQARFPVORZYJRY-LLVKDONJSA-N 2 0 228.384 1.344 20 0 BDADRP CC[C@@H](C)NC(=[NH2+])NCCCC[N@H+](C)C1CC1 ZINC000849039862 588447003 /nfs/dbraw/zinc/44/70/03/588447003.db2.gz VELFQOLJXJOLRA-LLVKDONJSA-N 2 0 240.395 1.773 20 0 BDADRP CCCCNC(=[NH2+])NCCCC[N@H+](C)C1CC1 ZINC000849039876 588447121 /nfs/dbraw/zinc/44/71/21/588447121.db2.gz VYQRAGNHYJYICI-UHFFFAOYSA-N 2 0 240.395 1.775 20 0 BDADRP CC(C)[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000108324042 588460578 /nfs/dbraw/zinc/46/05/78/588460578.db2.gz MSHRXXRXIRZLDV-ZDUSSCGKSA-N 2 0 210.365 1.964 20 0 BDADRP C[C@@H]1CCCC[N@@H+]1CCNC1=[NH+]CCCCN1 ZINC000849215597 588462179 /nfs/dbraw/zinc/46/21/79/588462179.db2.gz SGPJRPPJQLQNGC-GFCCVEGCSA-N 2 0 238.379 1.190 20 0 BDADRP COC(CC[N@@H+]1CCC[C@H]([NH+](C)C)CC1)OC ZINC000851985739 588652012 /nfs/dbraw/zinc/65/20/12/588652012.db2.gz PWUQZFXLDXAQPZ-LBPRGKRZSA-N 2 0 244.379 1.412 20 0 BDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCOC(F)F ZINC000852740701 588698729 /nfs/dbraw/zinc/69/87/29/588698729.db2.gz KGRRBEZGLHAADZ-SECBINFHSA-N 2 0 224.295 1.531 20 0 BDADRP [NH3+]Cc1cccc(NC(=O)C=C2CC[NH2+]CC2)c1 ZINC000852789566 588702694 /nfs/dbraw/zinc/70/26/94/588702694.db2.gz BSMWJKRWHVNIKH-UHFFFAOYSA-N 2 0 245.326 1.394 20 0 BDADRP CN(Cc1ccnc(F)c1)CC1C[NH+](C)C1 ZINC000862412850 589210873 /nfs/dbraw/zinc/21/08/73/589210873.db2.gz CWQQCVYWADBPCL-UHFFFAOYSA-N 2 0 223.295 1.214 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C[C@H]1CCCOC1 ZINC000863481985 589292779 /nfs/dbraw/zinc/29/27/79/589292779.db2.gz ORJQQBLUYDDANE-GRYCIOLGSA-N 2 0 212.337 1.143 20 0 BDADRP CC(C)[C@@H]1CC[C@H]1[NH2+]CCOCCC[NH3+] ZINC000863546617 589298008 /nfs/dbraw/zinc/29/80/08/589298008.db2.gz LUNABKBXKHGFDR-NWDGAFQWSA-N 2 0 214.353 1.376 20 0 BDADRP CC[C@H]1CCN(C(=[NH2+])NCCC[NH+](C)C)C1 ZINC000864452909 589365637 /nfs/dbraw/zinc/36/56/37/589365637.db2.gz UJPWCSUCBGDAPO-NSHDSACASA-N 2 0 226.368 1.194 20 0 BDADRP C[C@H](CNC(=[NH2+])N[C@@H]1C[C@H]1C)[NH+]1CCCCC1 ZINC000864455461 589366579 /nfs/dbraw/zinc/36/65/79/589366579.db2.gz QHKDQZYPKHDTOD-IJLUTSLNSA-N 2 0 238.379 1.383 20 0 BDADRP C[C@H](CNC(=[NH2+])NCCC1CC1)[N@H+](C)C1CC1 ZINC000864458018 589367746 /nfs/dbraw/zinc/36/77/46/589367746.db2.gz VTNQPWKRYYHZEJ-SNVBAGLBSA-N 2 0 238.379 1.383 20 0 BDADRP CCC(CC)NC(=[NH2+])NCC[N@@H+]1CC[C@@H](C)C1 ZINC000864457860 589367794 /nfs/dbraw/zinc/36/77/94/589367794.db2.gz VMVAFDTXBXWKKK-LLVKDONJSA-N 2 0 240.395 1.631 20 0 BDADRP CCC(CC)NC(=[NH2+])NCC1=CC[N@H+](C)CC1 ZINC000864463282 589370018 /nfs/dbraw/zinc/37/00/18/589370018.db2.gz USTDHGXLRJSOAJ-UHFFFAOYSA-N 2 0 238.379 1.551 20 0 BDADRP Cc1cc(N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc[nH+]1 ZINC000866206667 589480260 /nfs/dbraw/zinc/48/02/60/589480260.db2.gz FHIMKCTUQNIHBA-TZMCWYRMSA-N 2 0 231.343 1.920 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000866658840 589508189 /nfs/dbraw/zinc/50/81/89/589508189.db2.gz BKMKCURKOVVUPA-SDDRHHMPSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000866658839 589508302 /nfs/dbraw/zinc/50/83/02/589508302.db2.gz BKMKCURKOVVUPA-QJPTWQEYSA-N 2 0 212.337 1.082 20 0 BDADRP C1=CCC(C[N@@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)C1 ZINC000866724980 589516157 /nfs/dbraw/zinc/51/61/57/589516157.db2.gz QBEBSGWYHNFVGA-STQMWFEESA-N 2 0 206.333 1.779 20 0 BDADRP CC[NH+](CC)CCCN1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866725299 589516502 /nfs/dbraw/zinc/51/65/02/589516502.db2.gz RVNGSKXVIAKZMQ-ZIAGYGMSSA-N 2 0 239.407 1.545 20 0 BDADRP [NH3+][C@H]1CC[C@@H](c2nc([C@@H]3CCC[NH2+]3)no2)CC1 ZINC000871787647 589819333 /nfs/dbraw/zinc/81/93/33/589819333.db2.gz AKNFGSDDUCAWPN-AEJSXWLSSA-N 2 0 236.319 1.479 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000872141313 589881856 /nfs/dbraw/zinc/88/18/56/589881856.db2.gz DIDQWGZZLAJVSD-CHWSQXEVSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@](C[NH3+])([NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1)C1CC1 ZINC000872141605 589882698 /nfs/dbraw/zinc/88/26/98/589882698.db2.gz LMBMEPOIHOEVHO-DOERSZECSA-N 2 0 238.375 1.661 20 0 BDADRP [NH3+]C1(C[NH2+]C[C@@H]2CC3(CCC3)CO2)CCC1 ZINC000872142967 589883568 /nfs/dbraw/zinc/88/35/68/589883568.db2.gz GNCMNTRMBIPPGS-NSHDSACASA-N 2 0 224.348 1.417 20 0 BDADRP CC[NH+](CC)CCCN1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154625 589886532 /nfs/dbraw/zinc/88/65/32/589886532.db2.gz ZMMPMPSHGFOXOZ-UONOGXRCSA-N 2 0 239.407 1.260 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CC2CCOCC2)C1 ZINC000872251226 589900514 /nfs/dbraw/zinc/90/05/14/589900514.db2.gz IDZJLMAEDMOHNN-CYBMUJFWSA-N 2 0 240.391 1.781 20 0 BDADRP Cc1ccc2ncc(C[NH2+]C[C@H]3C[C@H](O)C3)n2c1 ZINC000873177494 589990059 /nfs/dbraw/zinc/99/00/59/589990059.db2.gz PNSDNICLMCNORO-AULYBMBSSA-N 2 0 245.326 1.503 20 0 BDADRP C[NH2+]CCC[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000873210678 589994798 /nfs/dbraw/zinc/99/47/98/589994798.db2.gz OBIIUMRLTQWVRN-UHFFFAOYSA-N 3 0 239.388 1.093 20 0 BDADRP C[N@@H+]1CC[C@H]2CN(CC[NH2+]C(C)(C)C)CC[C@@H]21 ZINC000873222056 589999433 /nfs/dbraw/zinc/99/94/33/589999433.db2.gz YCVJGNOOXVYPEZ-STQMWFEESA-N 2 0 239.407 1.401 20 0 BDADRP CC[C@@H](C)C[NH2+]C1(CCOC)CC[NH2+]CC1 ZINC000873225649 590000629 /nfs/dbraw/zinc/00/06/29/590000629.db2.gz WHDQPTHUOKOCFR-GFCCVEGCSA-N 2 0 228.380 1.781 20 0 BDADRP C[N@H+](CCCCCC[NH3+])Cc1cnc(N)s1 ZINC000873231312 590002922 /nfs/dbraw/zinc/00/29/22/590002922.db2.gz FEEMTZQOIJHXND-UHFFFAOYSA-N 2 0 242.392 1.676 20 0 BDADRP CC(C)(C)[NH2+]CCN[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000873231140 590002560 /nfs/dbraw/zinc/00/25/60/590002560.db2.gz IWMRENDLIJKXSL-WCQYABFASA-N 2 0 225.380 1.249 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000873234149 590004290 /nfs/dbraw/zinc/00/42/90/590004290.db2.gz CSVIIDYNGVWPON-UPJWGTAASA-N 2 0 239.407 1.304 20 0 BDADRP CC1(C)CC[C@H](CN[C@H]2CCC[C@H]2[NH3+])[NH2+]C1 ZINC000873236401 590004357 /nfs/dbraw/zinc/00/43/57/590004357.db2.gz HBCZBRSAVMSDRO-UTUOFQBUSA-N 2 0 225.380 1.234 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000873234929 590004789 /nfs/dbraw/zinc/00/47/89/590004789.db2.gz HKEHZOTXXCGHPJ-LBPRGKRZSA-N 3 0 247.386 1.549 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000873234142 590004862 /nfs/dbraw/zinc/00/48/62/590004862.db2.gz CSVIIDYNGVWPON-AGIUHOORSA-N 2 0 239.407 1.304 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000873246352 590006697 /nfs/dbraw/zinc/00/66/97/590006697.db2.gz YHCBCPKTRRLLQB-NEPJUHHUSA-N 3 0 227.396 1.482 20 0 BDADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873249845 590007237 /nfs/dbraw/zinc/00/72/37/590007237.db2.gz MUXBTGFGENATCX-RZFFKMDDSA-N 3 0 247.386 1.272 20 0 BDADRP Cc1cc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)no1 ZINC000873248631 590007514 /nfs/dbraw/zinc/00/75/14/590007514.db2.gz CGPMQLSZBGMOBE-BBBLOLIVSA-N 2 0 209.293 1.371 20 0 BDADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873249706 590007742 /nfs/dbraw/zinc/00/77/42/590007742.db2.gz MUIPFVIDHVNCOQ-FQUUOJAGSA-N 3 0 239.407 1.624 20 0 BDADRP COC[C@@H](CC(C)C)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873256151 590010624 /nfs/dbraw/zinc/01/06/24/590010624.db2.gz LZOMZKZJDMLFER-IJLUTSLNSA-N 2 0 214.353 1.374 20 0 BDADRP CCn1ccnc1[C@@H](C)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873255632 590010776 /nfs/dbraw/zinc/01/07/76/590010776.db2.gz ILWIFQHFZFUXDT-GMTAPVOTSA-N 2 0 222.336 1.291 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)c2nccn21 ZINC000873255898 590011140 /nfs/dbraw/zinc/01/11/40/590011140.db2.gz KDZFXTJOGXDJIV-XWLWVQCSSA-N 2 0 220.320 1.216 20 0 BDADRP COC[C@H](CC(C)C)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873256152 590011158 /nfs/dbraw/zinc/01/11/58/590011158.db2.gz LZOMZKZJDMLFER-SRVKXCTJSA-N 2 0 214.353 1.374 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C12CCC2 ZINC000873258012 590012051 /nfs/dbraw/zinc/01/20/51/590012051.db2.gz WRFUGSVMDDKZNJ-FDYHWXHSSA-N 2 0 238.375 1.661 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C12CCC2 ZINC000873258013 590012450 /nfs/dbraw/zinc/01/24/50/590012450.db2.gz WRFUGSVMDDKZNJ-LPWJVIDDSA-N 2 0 238.375 1.661 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]C[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000873258057 590012456 /nfs/dbraw/zinc/01/24/56/590012456.db2.gz LQOFYXHLGHROHE-HAQNSBGRSA-N 3 0 225.380 1.186 20 0 BDADRP C[C@]12C[C@H]1CCC[C@H]2[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873258682 590013114 /nfs/dbraw/zinc/01/31/14/590013114.db2.gz VCIUDTRZXCPUBV-VEGXAWMVSA-N 2 0 208.349 1.892 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000873260768 590013460 /nfs/dbraw/zinc/01/34/60/590013460.db2.gz HEUSOYQSSNRJDB-PEBLQZBPSA-N 3 0 237.391 1.377 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1nccn1C ZINC000873263525 590014172 /nfs/dbraw/zinc/01/41/72/590014172.db2.gz IXUSEAPYCGNFNV-RVMXOQNASA-N 2 0 248.374 1.601 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCOC1)C1CC[NH2+]CC1 ZINC000873267568 590015360 /nfs/dbraw/zinc/01/53/60/590015360.db2.gz GMTKRPNZYUMFKP-NTZNESFSSA-N 2 0 226.364 1.389 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C2CC[NH2+]CC2)C1 ZINC000873272035 590016229 /nfs/dbraw/zinc/01/62/29/590016229.db2.gz OBJNQRZXTTYCFX-IACUBPJLSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]([NH2+][C@H](C)[C@H]1CCCOC1)C1CC[NH2+]CC1 ZINC000873270129 590016292 /nfs/dbraw/zinc/01/62/92/590016292.db2.gz XPMNYNWUORCFEC-BZPMIXESSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCCCC[C@@H]1[NH3+])C1CC[NH2+]CC1 ZINC000873270676 590016341 /nfs/dbraw/zinc/01/63/41/590016341.db2.gz ZVTDNEHBOZBISJ-KWCYVHTRSA-N 3 0 239.407 1.624 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCCCC[C@@H]1[NH3+])C1CC[NH2+]CC1 ZINC000873270678 590016406 /nfs/dbraw/zinc/01/64/06/590016406.db2.gz ZVTDNEHBOZBISJ-XBFCOCLRSA-N 3 0 239.407 1.624 20 0 BDADRP C[C@H]([NH2+][C@H]1C[C@@H](C)n2ccnc21)C1CC[NH2+]CC1 ZINC000873270983 590016439 /nfs/dbraw/zinc/01/64/39/590016439.db2.gz DLFSHRFYDPTBNJ-MDZLAQPJSA-N 2 0 248.374 1.867 20 0 BDADRP COCCC[C@@H](C)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873272491 590016513 /nfs/dbraw/zinc/01/65/13/590016513.db2.gz UDHIAZOIUPQYKP-NEPJUHHUSA-N 2 0 228.380 1.779 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](C)c1ccnn1C ZINC000873275905 590016603 /nfs/dbraw/zinc/01/66/03/590016603.db2.gz OTVXXKRQNHMTON-IVZWLZJFSA-N 2 0 210.325 1.197 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873273234 590016766 /nfs/dbraw/zinc/01/67/66/590016766.db2.gz ZKJLJVBTGUFEMZ-NEPJUHHUSA-N 3 0 227.396 1.482 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCCC[C@@H]1[NH3+])C1CC[NH2+]CC1 ZINC000873273273 590017010 /nfs/dbraw/zinc/01/70/10/590017010.db2.gz ZVTDNEHBOZBISJ-FPMFFAJLSA-N 3 0 239.407 1.624 20 0 BDADRP C[C@H]([NH2+]CCC[C@@H]1C=CCC1)C1C[NH2+]C1 ZINC000873281152 590018529 /nfs/dbraw/zinc/01/85/29/590018529.db2.gz GFXWQJVSFNLQCU-NWDGAFQWSA-N 2 0 208.349 1.930 20 0 BDADRP c1ccc2c(c1)C[NH2+][C@@H](CNC1CC[NH2+]CC1)C2 ZINC000873296689 590025246 /nfs/dbraw/zinc/02/52/46/590025246.db2.gz LEOXEUSYLJQAFW-OAHLLOKOSA-N 2 0 245.370 1.043 20 0 BDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)Nc1cccc(C[NH3+])c1 ZINC000876505072 590204475 /nfs/dbraw/zinc/20/44/75/590204475.db2.gz JZZUZHZOAGSPDN-NEPJUHHUSA-N 2 0 247.342 1.457 20 0 BDADRP C[C@@H]([NH3+])CC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000876723169 590233413 /nfs/dbraw/zinc/23/34/13/590233413.db2.gz OPKPKMPFNRUYFU-IJLUTSLNSA-N 2 0 241.379 1.103 20 0 BDADRP C[C@@H]([NH3+])CN(C)C(=O)CC1(C[NH3+])CCCCC1 ZINC000877103071 590283855 /nfs/dbraw/zinc/28/38/55/590283855.db2.gz PVOZHXUESZOURL-LLVKDONJSA-N 2 0 241.379 1.091 20 0 BDADRP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000877134637 590291172 /nfs/dbraw/zinc/29/11/72/590291172.db2.gz WGIVBOQGWOKFIH-XQQFMLRXSA-N 2 0 245.326 1.192 20 0 BDADRP CN(CCCCCC[NH3+])C(=O)C[C@H]([NH3+])C1CC1 ZINC000877438241 590328094 /nfs/dbraw/zinc/32/80/94/590328094.db2.gz LPYYMFBTIJOMEM-LBPRGKRZSA-N 2 0 241.379 1.091 20 0 BDADRP CN(CCCCCC[NH3+])C(=O)[C@H]1CCCC[NH2+]1 ZINC000877446407 590328554 /nfs/dbraw/zinc/32/85/54/590328554.db2.gz YOTIQUROAQADLH-GFCCVEGCSA-N 2 0 241.379 1.106 20 0 BDADRP c1cc(C[NH2+]C2CSC2)n(-c2cc[nH+]cc2)n1 ZINC000877633740 590378737 /nfs/dbraw/zinc/37/87/37/590378737.db2.gz FGMACQGGWZSCJL-UHFFFAOYSA-N 2 0 246.339 1.472 20 0 BDADRP CC(C)[C@H](O)CC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000878105157 590494521 /nfs/dbraw/zinc/49/45/21/590494521.db2.gz XFEWNDVNBZFSOG-CHWSQXEVSA-N 2 0 228.380 1.277 20 0 BDADRP CC(C)[C@@H](O)CC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000878511716 590583548 /nfs/dbraw/zinc/58/35/48/590583548.db2.gz HFMYXXPEBZRTOZ-KGLIPLIRSA-N 2 0 242.407 1.810 20 0 BDADRP CCc1cc(N2CC[C@@H]([C@@H](C)[NH3+])C2)nc(C)n1 ZINC000127323199 590621236 /nfs/dbraw/zinc/62/12/36/590621236.db2.gz QDSBUXBUBKMVKS-MWLCHTKSSA-N 2 0 234.347 1.521 20 0 BDADRP COCC[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879247200 590721122 /nfs/dbraw/zinc/72/11/22/590721122.db2.gz POIQCKOLSINMIL-UHFFFAOYSA-N 2 0 226.364 1.441 20 0 BDADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccno1)CC2 ZINC000879248441 590721414 /nfs/dbraw/zinc/72/14/14/590721414.db2.gz OPKXQVPCTJYRDW-UHFFFAOYSA-N 2 0 249.358 1.982 20 0 BDADRP C[N@@H+]1CC[C@H]2C[NH+](CCC3CC3)CC[C@H]21 ZINC000879573757 590809567 /nfs/dbraw/zinc/80/95/67/590809567.db2.gz QWJXWJANJWPUAJ-QWHCGFSZSA-N 2 0 208.349 1.813 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](CCC3(O)CCC3)CC[C@H]21 ZINC000879578004 590812841 /nfs/dbraw/zinc/81/28/41/590812841.db2.gz AEAJIKGZVMSZOL-CHWSQXEVSA-N 2 0 238.375 1.318 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](CC3(C)COC3)CC[C@@H]21 ZINC000879574271 590813624 /nfs/dbraw/zinc/81/36/24/590813624.db2.gz YWKIONMQJYZVGP-NEPJUHHUSA-N 2 0 224.348 1.049 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H](O)C(C)(C)C)CC[C@@H]21 ZINC000879580832 590822698 /nfs/dbraw/zinc/82/26/98/590822698.db2.gz UZKDDXJPSOZTAR-FRRDWIJNSA-N 2 0 240.391 1.419 20 0 BDADRP CCOCC[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880260083 590980756 /nfs/dbraw/zinc/98/07/56/590980756.db2.gz NCXQHPIAIAJABS-ZDUSSCGKSA-N 2 0 249.358 1.629 20 0 BDADRP C[C@@H]1CC[C@H](CO)[N@@H+]1CCC[NH+]1CCCCC1 ZINC000880439626 591041669 /nfs/dbraw/zinc/04/16/69/591041669.db2.gz FRPVPVDZARFZIG-ZIAGYGMSSA-N 2 0 240.391 1.708 20 0 BDADRP C[C@H](O)CC[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880473375 591054368 /nfs/dbraw/zinc/05/43/68/591054368.db2.gz DGZXDVNGNRTQDS-LBPRGKRZSA-N 2 0 226.364 1.318 20 0 BDADRP c1ccc2c(c1)C[C@@H](C[NH2+][C@H]1CCC[NH2+]CC1)O2 ZINC000129157982 591260839 /nfs/dbraw/zinc/26/08/39/591260839.db2.gz QJCTYBRECIJYAD-KBPBESRZSA-N 2 0 246.354 1.722 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000883261805 591600062 /nfs/dbraw/zinc/60/00/62/591600062.db2.gz NBRKPEBHVKVUNN-AVGNSLFASA-N 2 0 240.391 1.874 20 0 BDADRP [NH3+]C1(C[NH2+]C[C@@H]2CCC3(CCC3)O2)CCC1 ZINC000883425316 591659135 /nfs/dbraw/zinc/65/91/35/591659135.db2.gz RJBPSKRSTRQCIZ-NSHDSACASA-N 2 0 224.348 1.559 20 0 BDADRP CN(CC[NH+]1CCCCC1)C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883435531 591666061 /nfs/dbraw/zinc/66/60/61/591666061.db2.gz VMPXMSOSCXOSEC-STQMWFEESA-N 2 0 243.370 1.104 20 0 BDADRP [NH3+][C@@H]1C[C@H](NCC[NH+]2CCCC2)c2ccccc21 ZINC000131930415 591678641 /nfs/dbraw/zinc/67/86/41/591678641.db2.gz GDKGRTVFQLJSDF-CABCVRRESA-N 2 0 245.370 1.817 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@@H]2C[C@@H]2C1 ZINC000886330320 592210584 /nfs/dbraw/zinc/21/05/84/592210584.db2.gz QOBBQSULZDHYAD-FRRDWIJNSA-N 2 0 208.349 1.813 20 0 BDADRP CC(C)C[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000219259998 592220505 /nfs/dbraw/zinc/22/05/05/592220505.db2.gz NLNUIYOLEICCJY-WTUNAVPPSA-N 2 0 240.391 1.608 20 0 BDADRP CCC[C@](C)(O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000219266549 592220929 /nfs/dbraw/zinc/22/09/29/592220929.db2.gz LVQJRHFOFIBIBA-GSPSYOTPSA-N 2 0 240.391 1.752 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CC[C@H]2CCCO2)[C@@H](C)C1 ZINC000886725865 592311302 /nfs/dbraw/zinc/31/13/02/592311302.db2.gz ZUZOTNRZXKBLBP-BFHYXJOUSA-N 2 0 240.391 1.875 20 0 BDADRP C1CSC[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000220672330 592321668 /nfs/dbraw/zinc/32/16/68/592321668.db2.gz KAAREGDEPKFPJD-QWRGUYRKSA-N 2 0 214.378 1.614 20 0 BDADRP C[C@H]1SCC[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000220694943 592325531 /nfs/dbraw/zinc/32/55/31/592325531.db2.gz VQLXZXBXPXVRGK-ZYHUDNBSSA-N 2 0 228.405 1.812 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@H]2C[C@]23CCOC3)C1 ZINC000886827713 592349748 /nfs/dbraw/zinc/34/97/48/592349748.db2.gz QDPZCHJJXNODFX-MJBXVCDLSA-N 2 0 238.375 1.344 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](C[C@H]2C[C@]23CCOC3)CC1 ZINC000886827685 592351220 /nfs/dbraw/zinc/35/12/20/592351220.db2.gz PUTIUGVVBXJZHU-YUTCNCBUSA-N 2 0 238.375 1.472 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](C[C@H]2C[C@@]23CCOC3)C1 ZINC000886838121 592355724 /nfs/dbraw/zinc/35/57/24/592355724.db2.gz RJJUCFFHOYPPKZ-JHJVBQTASA-N 2 0 224.348 1.084 20 0 BDADRP CC(C)n1cc(C[NH2+]C2CCC([NH3+])CC2)cn1 ZINC000220817332 592355850 /nfs/dbraw/zinc/35/58/50/592355850.db2.gz WAHMLHNFGVCVNN-UHFFFAOYSA-N 2 0 236.363 1.824 20 0 BDADRP FCCC[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886874739 592377439 /nfs/dbraw/zinc/37/74/39/592377439.db2.gz VQINYMUBQGDYJJ-GFCCVEGCSA-N 2 0 214.328 1.812 20 0 BDADRP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCCCO ZINC000887133288 592448503 /nfs/dbraw/zinc/44/85/03/592448503.db2.gz YDHCOFQNSQSCGI-CYBMUJFWSA-N 2 0 249.358 1.365 20 0 BDADRP CC[NH+](CC)CCCNC(=[NH2+])NCC1CC1 ZINC000887345706 592484108 /nfs/dbraw/zinc/48/41/08/592484108.db2.gz AFIXNCKPUFTRFH-UHFFFAOYSA-N 2 0 226.368 1.242 20 0 BDADRP CC[C@H](CNC(=[NH2+])NCC1CC1)[NH+]1CCCC1 ZINC000887348613 592484779 /nfs/dbraw/zinc/48/47/79/592484779.db2.gz QNGHUFGTDYWFEO-GFCCVEGCSA-N 2 0 238.379 1.385 20 0 BDADRP C[C@H](N)[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccccc1 ZINC000925703433 634381943 /nfs/dbraw/zinc/38/19/43/634381943.db2.gz USESVCMEQZMAAI-GXTWGEPZSA-N 3 0 247.386 1.794 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925704287 634384478 /nfs/dbraw/zinc/38/44/78/634384478.db2.gz FQHFFUZFLDUYKG-QQOHENMQSA-N 3 0 237.391 1.090 20 0 BDADRP C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)[C@H](C)[NH3+] ZINC000925708833 634404008 /nfs/dbraw/zinc/40/40/08/634404008.db2.gz NZPFWOXOEATGIV-SCRDCRAPSA-N 3 0 235.375 1.792 20 0 BDADRP [NH3+]C[C@@H](N[C@@H]1CC[NH2+]C12CCC2)C1CCCC1 ZINC000925708709 634404197 /nfs/dbraw/zinc/40/41/97/634404197.db2.gz NGEAEOMGUAXCNM-CHWSQXEVSA-N 2 0 237.391 1.378 20 0 BDADRP C[C@@H]1CC[C@@H](C[N@@H+]2CC[C@H](CC[NH3+])C2)O1 ZINC000299991638 634408204 /nfs/dbraw/zinc/40/82/04/634408204.db2.gz DFADWCSFRGRWNB-WOPDTQHZSA-N 2 0 212.337 1.225 20 0 BDADRP COC1CC(CC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925713150 634414661 /nfs/dbraw/zinc/41/46/61/634414661.db2.gz KCAPJIUPFNXNLJ-TUUUFIMRSA-N 2 0 238.375 1.661 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[NH2+]C12CCCC2 ZINC000925716579 634450269 /nfs/dbraw/zinc/45/02/69/634450269.db2.gz ANIQPFHTMZWZEL-TUAOUCFPSA-N 2 0 223.364 1.001 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2COCC2(C)C)C1 ZINC000313140423 634455203 /nfs/dbraw/zinc/45/52/03/634455203.db2.gz QKWPVRNTPZZPLO-NWDGAFQWSA-N 2 0 226.364 1.343 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000925717382 634453523 /nfs/dbraw/zinc/45/35/23/634453523.db2.gz GARFFODFJRYBBY-RYMFRWLXSA-N 2 0 238.375 1.532 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925717706 634454567 /nfs/dbraw/zinc/45/45/67/634454567.db2.gz DKAULNURTIARAB-FAAHXZRKSA-N 2 0 247.386 1.805 20 0 BDADRP Cc1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)ncn1 ZINC000257708069 634472670 /nfs/dbraw/zinc/47/26/70/634472670.db2.gz RXCUVYNZXMNHHL-UHFFFAOYSA-N 2 0 246.358 1.361 20 0 BDADRP C([C@@H]1CCCCO1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000257698644 634472680 /nfs/dbraw/zinc/47/26/80/634472680.db2.gz PMDYMWDTDGMGFZ-UONOGXRCSA-N 2 0 238.375 1.774 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@H]2CCCOC2)C[C@@H]1C[NH3+] ZINC000253179355 634516603 /nfs/dbraw/zinc/51/66/03/634516603.db2.gz CUAWNJXQLKRCRC-UPJWGTAASA-N 2 0 226.364 1.330 20 0 BDADRP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)C1CC[NH2+]CC1 ZINC000925728256 634527672 /nfs/dbraw/zinc/52/76/72/634527672.db2.gz KFAALEJMKGBONB-UHTWSYAYSA-N 3 0 237.391 1.234 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCCN[C@@H]1C)C1CC[NH2+]CC1 ZINC000925728435 634530174 /nfs/dbraw/zinc/53/01/74/634530174.db2.gz VDQBRIGLPZNCIK-NQBHXWOUSA-N 2 0 225.380 1.105 20 0 BDADRP c1cn(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cn1 ZINC000093452793 634541041 /nfs/dbraw/zinc/54/10/41/634541041.db2.gz OQSMGLOUNNHOLZ-MJBXVCDLSA-N 2 0 248.374 1.393 20 0 BDADRP CC(C)([NH3+])CC[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000925737146 634591158 /nfs/dbraw/zinc/59/11/58/634591158.db2.gz GKIVFCSGKGTOBZ-JTQLQIEISA-N 2 0 222.336 1.504 20 0 BDADRP Cn1cc2c(n1)CCC[C@H]2[NH2+]CCC(C)(C)[NH3+] ZINC000925738034 634594084 /nfs/dbraw/zinc/59/40/84/634594084.db2.gz MEBFPAGWNDFXPN-LLVKDONJSA-N 2 0 236.363 1.515 20 0 BDADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCCc3n[nH]cc32)CC1 ZINC000336114446 634606550 /nfs/dbraw/zinc/60/65/50/634606550.db2.gz YBWZZRWREPPRLD-CYBMUJFWSA-N 2 0 246.358 1.639 20 0 BDADRP C[C@@H]1CCC[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925812665 635367131 /nfs/dbraw/zinc/36/71/31/635367131.db2.gz XZOCEAOESFVFRI-DGCLKSJQSA-N 2 0 225.380 1.188 20 0 BDADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1COC[C@H]1C ZINC000925826285 635432649 /nfs/dbraw/zinc/43/26/49/635432649.db2.gz GTXMBKQEKMAWJK-PUYPPJJSSA-N 2 0 249.358 1.534 20 0 BDADRP CC[NH2+]CC1CC[NH+](CCCCCCO)CC1 ZINC000226427982 635435126 /nfs/dbraw/zinc/43/51/26/635435126.db2.gz GPEPHICDFZKNBM-UHFFFAOYSA-N 2 0 242.407 1.861 20 0 BDADRP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000227080352 635446494 /nfs/dbraw/zinc/44/64/94/635446494.db2.gz LEPJDCJKGYXEEW-RWMBFGLXSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000925831836 635470019 /nfs/dbraw/zinc/47/00/19/635470019.db2.gz MDCOLXWNEYWBBO-XFWSIPNHSA-N 2 0 236.281 1.772 20 0 BDADRP Cc1cc(CC[NH2+]C2CCC([NH3+])CC2)nn1C ZINC000925835186 635485406 /nfs/dbraw/zinc/48/54/06/635485406.db2.gz QXCHMKJFEYDIGF-UHFFFAOYSA-N 2 0 236.363 1.131 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)[C@H](C)O1 ZINC000925841808 635506644 /nfs/dbraw/zinc/50/66/44/635506644.db2.gz SWPHYNABLDVINQ-XVIXHAIJSA-N 2 0 238.375 1.674 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@@H](C)CCCC[NH3+] ZINC000925853791 635542204 /nfs/dbraw/zinc/54/22/04/635542204.db2.gz BPNNOVQBCQFYSJ-RYUDHWBXSA-N 2 0 216.369 1.645 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCCC[NH2+]1 ZINC000925881200 635608543 /nfs/dbraw/zinc/60/85/43/635608543.db2.gz YZSJHPYWEARMRJ-ZOBORPQBSA-N 3 0 239.407 1.624 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925880880 635610614 /nfs/dbraw/zinc/61/06/14/635610614.db2.gz WEZHTPVBRGNCBX-FVCCEPFGSA-N 3 0 225.380 1.092 20 0 BDADRP CC[C@@H]1CCN(C[C@@H]([NH3+])CC(F)F)C1 ZINC000308469162 631355818 /nfs/dbraw/zinc/35/58/18/631355818.db2.gz IDBQEFIUGMKPSS-BDAKNGLRSA-N 2 0 206.280 1.701 20 0 BDADRP Cc1cc(N)nc(NC2CC[NH+](C(C)C)CC2)[nH+]1 ZINC000891571005 631393748 /nfs/dbraw/zinc/39/37/48/631393748.db2.gz IJQCJRWNONXZMO-UHFFFAOYSA-N 2 0 249.362 1.652 20 0 BDADRP CC1(C)C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000051919046 632012303 /nfs/dbraw/zinc/01/23/03/632012303.db2.gz XHGOFDRXSYNFQW-LBPRGKRZSA-N 2 0 226.364 1.487 20 0 BDADRP CC1(C)C[N@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000051919047 632013161 /nfs/dbraw/zinc/01/31/61/632013161.db2.gz XHGOFDRXSYNFQW-GFCCVEGCSA-N 2 0 226.364 1.487 20 0 BDADRP CC(C)CNC(=[NH2+])NCC[NH+]1CCCCC1 ZINC000052043899 632052538 /nfs/dbraw/zinc/05/25/38/632052538.db2.gz AHJGBVMPRZIIHV-UHFFFAOYSA-N 2 0 226.368 1.242 20 0 BDADRP CCNC(=[NH2+])NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000052043347 632053315 /nfs/dbraw/zinc/05/33/15/632053315.db2.gz PCMBKOVEPPNKBI-WCQYABFASA-N 2 0 240.395 1.631 20 0 BDADRP C[NH+]1CCC(C[NH2+]CCCCCO)CC1 ZINC000051021168 632397709 /nfs/dbraw/zinc/39/77/09/632397709.db2.gz CYYCXIPCSITSRF-UHFFFAOYSA-N 2 0 214.353 1.080 20 0 BDADRP C[C@@H](CCO)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000308918094 632432646 /nfs/dbraw/zinc/43/26/46/632432646.db2.gz BQEZNUJOHWJIQY-NSHDSACASA-N 2 0 214.353 1.079 20 0 BDADRP C[C@@H](CNC(=[NH2+])NC(C)(C)C)C[NH+](C)C ZINC000308930796 632491685 /nfs/dbraw/zinc/49/16/85/632491685.db2.gz RFNOVMSKUGUWFM-VIFPVBQESA-N 2 0 214.357 1.097 20 0 BDADRP C[C@H](CCO)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000309558542 632495045 /nfs/dbraw/zinc/49/50/45/632495045.db2.gz KHMNGDGWWZDCOJ-GFCCVEGCSA-N 2 0 228.380 1.469 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)C1CCOCC1 ZINC000235188265 632509578 /nfs/dbraw/zinc/50/95/78/632509578.db2.gz WQNSDYCOKXUIRM-PWSUYJOCSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])[C@H]1CCOC1 ZINC000253069684 632564238 /nfs/dbraw/zinc/56/42/38/632564238.db2.gz LVBNIXRGCOLEEF-ZDEQEGDKSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@@]1(C[NH2+]C[C@@H]([NH3+])CC(F)F)CCCO1 ZINC000309044879 632625070 /nfs/dbraw/zinc/62/50/70/632625070.db2.gz MKLPPAHONNQFJN-WPRPVWTQSA-N 2 0 222.279 1.128 20 0 BDADRP C[C@H]([NH2+]CCC(C)(C)[NH3+])c1cccnc1 ZINC000308965406 632594779 /nfs/dbraw/zinc/59/47/79/632594779.db2.gz MAWRICZEJAZWPW-JTQLQIEISA-N 2 0 207.321 1.860 20 0 BDADRP CC(C)([NH3+])CC[NH2+]Cc1cccc(C(N)=O)c1 ZINC000310166554 632705997 /nfs/dbraw/zinc/70/59/97/632705997.db2.gz RWCALRDUVKBJDN-UHFFFAOYSA-N 2 0 235.331 1.003 20 0 BDADRP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000310310796 632717775 /nfs/dbraw/zinc/71/77/75/632717775.db2.gz WMEOQIKXHRHKPD-MELADBBJSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]1CCCC[N@@H+]1CCCNC1=[NH+]CCN1C ZINC000310386131 632734362 /nfs/dbraw/zinc/73/43/62/632734362.db2.gz DQEVXTITOWCWPX-LBPRGKRZSA-N 2 0 238.379 1.142 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC1(C)C ZINC000309229235 632827620 /nfs/dbraw/zinc/82/76/20/632827620.db2.gz IBYQUBVXWTWURI-VXGBXAGGSA-N 2 0 228.380 1.466 20 0 BDADRP O[C@H](C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000310768974 632982118 /nfs/dbraw/zinc/98/21/18/632982118.db2.gz SKYIJADSTDTDSE-HUUCEWRRSA-N 2 0 246.354 1.405 20 0 BDADRP CC(C)CCOCC[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000122304504 633204812 /nfs/dbraw/zinc/20/48/12/633204812.db2.gz MUKPWTNRVOGLLA-UONOGXRCSA-N 2 0 242.407 1.966 20 0 BDADRP C[C@H]1COC[C@@H]1[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000924608089 633238158 /nfs/dbraw/zinc/23/81/58/633238158.db2.gz VUJQWWDXUJYZPW-WFASDCNBSA-N 2 0 248.370 1.873 20 0 BDADRP CC1(C)COC[C@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000894982502 636012929 /nfs/dbraw/zinc/01/29/29/636012929.db2.gz CXTYFVKZIWALNR-CYBMUJFWSA-N 2 0 245.326 1.849 20 0 BDADRP C[C@@H](CCN[C@@H]1CC[N@H+](C)C(C)(C)C1)[NH+](C)C ZINC000895290945 636132244 /nfs/dbraw/zinc/13/22/44/636132244.db2.gz WSCVSFCROKGOEA-QWHCGFSZSA-N 2 0 241.423 1.789 20 0 BDADRP FC(F)(F)CCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328239734 633747807 /nfs/dbraw/zinc/74/78/07/633747807.db2.gz AWLZKNYXJILNKO-LADJIXMOSA-N 2 0 248.292 1.915 20 0 BDADRP C1=CC[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000328461088 633765933 /nfs/dbraw/zinc/76/59/33/633765933.db2.gz URGKJZJTVFCLOP-SNIKSBKOSA-N 2 0 218.344 1.681 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000328508002 633772385 /nfs/dbraw/zinc/77/23/85/633772385.db2.gz ZELCQTCGROWTJM-LZRJYULZSA-N 2 0 220.360 1.761 20 0 BDADRP CSC(C)(C)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328558068 633776251 /nfs/dbraw/zinc/77/62/51/633776251.db2.gz CEMSTVCVNVFWKX-RNWYCLNJSA-N 2 0 240.416 1.714 20 0 BDADRP CC1(C)C[C@@H]([NH2+][C@H]2CCC[C@@H](O)C2)C[C@@H]([NH3+])C1 ZINC000925501452 633823715 /nfs/dbraw/zinc/82/37/15/633823715.db2.gz ISNOWZISULTDIS-MROQNXINSA-N 2 0 240.391 1.786 20 0 BDADRP CSC[C@@H](C)N[C@H]1CC[NH2+]C1(C)C ZINC000925504130 633832385 /nfs/dbraw/zinc/83/23/85/633832385.db2.gz MDLHPSDYAAULGS-BDAKNGLRSA-N 2 0 202.367 1.468 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCC1(C)C ZINC000309229233 633869678 /nfs/dbraw/zinc/86/96/78/633869678.db2.gz IBYQUBVXWTWURI-NWDGAFQWSA-N 2 0 228.380 1.466 20 0 BDADRP C[C@H](O)[C@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000309978969 634016165 /nfs/dbraw/zinc/01/61/65/634016165.db2.gz VIEBZKSPQHSMDE-QWRGUYRKSA-N 2 0 228.380 1.608 20 0 BDADRP [NH3+][C@@H]1C[C@@H](N[C@H]2CC[N@H+](CC3CC3)C2)C12CCC2 ZINC000925555156 634022229 /nfs/dbraw/zinc/02/22/29/634022229.db2.gz FRPPXAHRGHPNDL-BFHYXJOUSA-N 2 0 249.402 1.330 20 0 BDADRP O[C@H](C[NH+]1CCCC1)C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000309983142 634025574 /nfs/dbraw/zinc/02/55/74/634025574.db2.gz IKGBFMJNNUWEDG-HZSPNIEDSA-N 2 0 238.375 1.175 20 0 BDADRP CCC1CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000309983023 634025774 /nfs/dbraw/zinc/02/57/74/634025774.db2.gz OEIYBDPPAAVUEO-CQSZACIVSA-N 2 0 240.391 1.565 20 0 BDADRP CC[N@H+](CCN[C@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000925561005 634040247 /nfs/dbraw/zinc/04/02/47/634040247.db2.gz YKBXFAZLBUGSIB-ZDUSSCGKSA-N 2 0 237.391 1.345 20 0 BDADRP COC[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000053196308 634069953 /nfs/dbraw/zinc/06/99/53/634069953.db2.gz VFEJOARJEMMJPT-CHWSQXEVSA-N 2 0 228.380 1.733 20 0 BDADRP COC[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000053196306 634070386 /nfs/dbraw/zinc/07/03/86/634070386.db2.gz VFEJOARJEMMJPT-OLZOCXBDSA-N 2 0 228.380 1.733 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000925607698 634139007 /nfs/dbraw/zinc/13/90/07/634139007.db2.gz RDCSFYWIWDPZGT-GRYCIOLGSA-N 2 0 226.364 1.268 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000310484360 634152174 /nfs/dbraw/zinc/15/21/74/634152174.db2.gz DPDXSFBIBCTAAD-CHWSQXEVSA-N 2 0 240.391 1.875 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](CO)CC2)C12CCC2 ZINC000925613424 634153493 /nfs/dbraw/zinc/15/34/93/634153493.db2.gz CWWSXYMXCWZYNG-LPWJVIDDSA-N 2 0 238.375 1.397 20 0 BDADRP C[C@@H](CN[C@@H]1CC[NH2+]C1(C)C)[NH+]1CCCCC1 ZINC000925613542 634154681 /nfs/dbraw/zinc/15/46/81/634154681.db2.gz RYPXOVYMYZTQRT-QWHCGFSZSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2CCC3(C2)CC[NH2+]CC3)O1 ZINC000310515371 634156256 /nfs/dbraw/zinc/15/62/56/634156256.db2.gz MHFGBSBXLNULJG-CHWSQXEVSA-N 2 0 238.375 1.629 20 0 BDADRP CC(C)(CCCO)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925614761 634157321 /nfs/dbraw/zinc/15/73/21/634157321.db2.gz KGTVROZRBJROKK-NSHDSACASA-N 2 0 228.380 1.515 20 0 BDADRP CC(C)(CO)C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925616217 634160367 /nfs/dbraw/zinc/16/03/67/634160367.db2.gz KXNDSEFLDMDDQB-MNOVXSKESA-N 2 0 228.380 1.501 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000925617558 634167179 /nfs/dbraw/zinc/16/71/79/634167179.db2.gz XEVOWDYONLZSKC-CHQMDOKHSA-N 2 0 236.359 1.029 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H]2CCOC2)C1 ZINC000925620511 634177375 /nfs/dbraw/zinc/17/73/75/634177375.db2.gz BKOWGCCPACUHHF-GMTAPVOTSA-N 2 0 212.337 1.271 20 0 BDADRP CN1CCC[C@H]1C[N@H+](C)CCCCCCC[NH3+] ZINC000092633379 634201375 /nfs/dbraw/zinc/20/13/75/634201375.db2.gz RGFRIVPQOYXXPD-AWEZNQCLSA-N 2 0 241.423 1.922 20 0 BDADRP C[C@H](O)CCC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925658408 634222752 /nfs/dbraw/zinc/22/27/52/634222752.db2.gz TUOBVOJEZJBXPD-QJPTWQEYSA-N 2 0 228.380 1.643 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCC2(O)CCC2)C1 ZINC000925666679 634242023 /nfs/dbraw/zinc/24/20/23/634242023.db2.gz VJBJRIAXDZBZDQ-RYUDHWBXSA-N 2 0 240.391 1.787 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925672055 634256173 /nfs/dbraw/zinc/25/61/73/634256173.db2.gz GPTAZZVEQOHWPY-AVGNSLFASA-N 2 0 242.407 1.747 20 0 BDADRP CCC[N@H+](CC)C[C@@H](C)N[C@H]1CCC[NH2+][C@@H]1C ZINC000925676488 634265154 /nfs/dbraw/zinc/26/51/54/634265154.db2.gz MQERRNAVSQKQCI-MCIONIFRSA-N 2 0 241.423 1.837 20 0 BDADRP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)[C@@H](O)C(F)F ZINC000925677913 634272366 /nfs/dbraw/zinc/27/23/66/634272366.db2.gz AQIRGRSBDOBEEW-AXTSPUMRSA-N 2 0 248.317 1.251 20 0 BDADRP C[N@H+](C[C@H]1CCC[NH+](C)C1)C[C@@H]1CCC=CO1 ZINC000193722976 634287115 /nfs/dbraw/zinc/28/71/15/634287115.db2.gz STIUSWUQRMWNKH-KBPBESRZSA-N 2 0 238.375 1.953 20 0 BDADRP CC[C@@H]1OCC[C@H]1[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925686897 634298827 /nfs/dbraw/zinc/29/88/27/634298827.db2.gz XKASFLKNQYZBGU-RHYQMDGZSA-N 2 0 224.348 1.413 20 0 BDADRP CC(C)[NH2+]CCCN[C@@H]1CCC[NH2+][C@@H]1C ZINC000925690837 634314870 /nfs/dbraw/zinc/31/48/70/634314870.db2.gz HUAIVUDAPSTLPC-VXGBXAGGSA-N 2 0 213.369 1.105 20 0 BDADRP C[C@H]1[NH2+]CCC[C@H]1NCC1([NH3+])CCCCC1 ZINC000925692021 634323096 /nfs/dbraw/zinc/32/30/96/634323096.db2.gz NZTUGTQEVKRXNC-VXGBXAGGSA-N 2 0 225.380 1.378 20 0 BDADRP CC1(C)C[C@@H]([NH2+]C[C@H](O)C2CCC2)C[C@@H]([NH3+])C1 ZINC000925692232 634323258 /nfs/dbraw/zinc/32/32/58/634323258.db2.gz NQBJWZNTTDDUQO-AGIUHOORSA-N 2 0 240.391 1.643 20 0 BDADRP COCC(COC)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925692489 634324337 /nfs/dbraw/zinc/32/43/37/634324337.db2.gz QJIBRYXSEBVRDT-MNOVXSKESA-N 2 0 244.379 1.143 20 0 BDADRP C[C@H]([NH3+])[C@@H](NC[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000925693506 634329564 /nfs/dbraw/zinc/32/95/64/634329564.db2.gz PALMZWNWCKZPAW-NWANDNLSSA-N 2 0 247.386 1.807 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000925693828 634332198 /nfs/dbraw/zinc/33/21/98/634332198.db2.gz SBCPCCBMEXMXJC-YNEHKIRRSA-N 2 0 226.364 1.391 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000925693824 634333630 /nfs/dbraw/zinc/33/36/30/634333630.db2.gz SBCPCCBMEXMXJC-JHJVBQTASA-N 2 0 226.364 1.391 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925694817 634339390 /nfs/dbraw/zinc/33/93/90/634339390.db2.gz UBVQODNBISQWHQ-MRVWCRGKSA-N 2 0 235.375 1.648 20 0 BDADRP COC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000020523825 634346382 /nfs/dbraw/zinc/34/63/82/634346382.db2.gz DKTIHLPDDWBLLX-YEJSDXFRSA-N 2 0 212.337 1.236 20 0 BDADRP C([NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000925696739 634356574 /nfs/dbraw/zinc/35/65/74/634356574.db2.gz AOWPJDRJIWCSLJ-REWJHTLYSA-N 2 0 238.375 1.391 20 0 BDADRP CC[NH2+][C@H](C)CN[C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925698110 634361788 /nfs/dbraw/zinc/36/17/88/634361788.db2.gz BUFWYRBSZZGBPT-BZPMIXESSA-N 2 0 235.375 1.663 20 0 BDADRP CC[NH2+][C@H](C)CN[C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925698113 634362412 /nfs/dbraw/zinc/36/24/12/634362412.db2.gz BUFWYRBSZZGBPT-MBNYWOFBSA-N 2 0 235.375 1.663 20 0 BDADRP CC(C)([NH3+])CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925699182 634365845 /nfs/dbraw/zinc/36/58/45/634365845.db2.gz NTNKDYXXVIKEHJ-QWHCGFSZSA-N 2 0 239.407 1.482 20 0 BDADRP [NH3+]C1(C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)CCC1 ZINC000925699121 634367278 /nfs/dbraw/zinc/36/72/78/634367278.db2.gz NAADWHBGUPYEKU-FRRDWIJNSA-N 2 0 238.375 1.663 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000925699634 634368104 /nfs/dbraw/zinc/36/81/04/634368104.db2.gz LJTZWHLLBDHZKI-ZOBORPQBSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@H](C[NH3+])N[C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925699734 634368383 /nfs/dbraw/zinc/36/83/83/634368383.db2.gz QFEDVKODMITMGH-SCVCMEIPSA-N 2 0 207.321 1.012 20 0 BDADRP CC[NH2+][C@H](C)CN[C@H]1CC[NH2+]C12CCCC2 ZINC000925699635 634369494 /nfs/dbraw/zinc/36/94/94/634369494.db2.gz LLGHSGWEMFOQGK-NEPJUHHUSA-N 2 0 225.380 1.249 20 0 BDADRP Nc1cc[nH+]c(CNC2CC[NH+](C3CC3)CC2)c1 ZINC000925766514 635180446 /nfs/dbraw/zinc/18/04/46/635180446.db2.gz KAFLPEIUVWTFOJ-UHFFFAOYSA-N 2 0 246.358 1.380 20 0 BDADRP [NH3+]C1CCC([NH2+][C@@H]2CCC[C@]23CCCO3)CC1 ZINC000925771149 635205478 /nfs/dbraw/zinc/20/54/78/635205478.db2.gz AAKWRGMEUUOJNH-PQAZSJQKSA-N 2 0 238.375 1.948 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CC(C)(C)CO1)[C@H]1CCC[NH2+]1 ZINC000925775788 635248977 /nfs/dbraw/zinc/24/89/77/635248977.db2.gz SNMGQLLHBKEKGU-JHJVBQTASA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cccnc1 ZINC000925796480 635334655 /nfs/dbraw/zinc/33/46/55/635334655.db2.gz KTFVIXAPIOIBQI-FRRDWIJNSA-N 2 0 233.359 1.978 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCn2ccnc21 ZINC000925802030 635351684 /nfs/dbraw/zinc/35/16/84/635351684.db2.gz CRAVEWZPMGRFKW-IJLUTSLNSA-N 2 0 234.347 1.163 20 0 BDADRP C[C@@H]1CCC[C@H]([NH2+]CCN2CCC([NH3+])CC2)C1 ZINC000925808991 635361848 /nfs/dbraw/zinc/36/18/48/635361848.db2.gz GEFLZQDFXBBVJK-OCCSQVGLSA-N 2 0 239.407 1.578 20 0 BDADRP CC(C)[C@@H]1CC[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925817332 635386985 /nfs/dbraw/zinc/38/69/85/635386985.db2.gz QFGSQAYVSRZQRI-UONOGXRCSA-N 2 0 239.407 1.434 20 0 BDADRP CC(C)[N@H+](C)CCNC(=[NH2+])NC(C)(C)C ZINC000054108808 635388455 /nfs/dbraw/zinc/38/84/55/635388455.db2.gz LRTSVDCTMQPMLK-UHFFFAOYSA-N 2 0 214.357 1.239 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(C2CC2)nn1C ZINC000925873048 635589584 /nfs/dbraw/zinc/58/95/84/635589584.db2.gz DXKXXDXYWJYZKK-ZJUUUORDSA-N 2 0 236.363 1.513 20 0 BDADRP COC[C@@H](C[NH2+]C1CC[NH2+]CC1)C(C)C ZINC000925873962 635594837 /nfs/dbraw/zinc/59/48/37/635594837.db2.gz OLFJFCNTXGGPMN-LLVKDONJSA-N 2 0 214.353 1.247 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)c2ncnn21 ZINC000924963558 635809805 /nfs/dbraw/zinc/80/98/05/635809805.db2.gz KUQWGDGAXOFEHF-CMPLNLGQSA-N 2 0 249.362 1.215 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)C(C)(C)CO ZINC000925010634 635846720 /nfs/dbraw/zinc/84/67/20/635846720.db2.gz NAQSVJFUZHJSJK-NWDGAFQWSA-N 2 0 228.380 1.325 20 0 BDADRP Cc1noc(C)c1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000086404884 636886501 /nfs/dbraw/zinc/88/65/01/636886501.db2.gz CMQHABYQKYQMQP-MNOVXSKESA-N 2 0 223.320 1.651 20 0 BDADRP CC(C)[NH+](CCN[C@H]1CCC[C@@H]1C[NH3+])C(C)C ZINC000089147025 636905213 /nfs/dbraw/zinc/90/52/13/636905213.db2.gz GCSAFBCNJNSLNH-KGLIPLIRSA-N 2 0 241.423 1.822 20 0 BDADRP CC1(C)CCNCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000866699984 636931109 /nfs/dbraw/zinc/93/11/09/636931109.db2.gz YBMFLGGWBFAJAT-CYBMUJFWSA-N 2 0 239.407 1.450 20 0 BDADRP C[N@@H+]1CC[C@H]2CN(CCCCCC[NH3+])CC[C@H]21 ZINC000866703051 636932265 /nfs/dbraw/zinc/93/22/65/636932265.db2.gz FBQJBXSEHSRPOW-UONOGXRCSA-N 2 0 239.407 1.532 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)C(C)(C)CO)C[NH+]1CCCC1 ZINC000924718559 637032457 /nfs/dbraw/zinc/03/24/57/637032457.db2.gz ZKOVJQDABHEYLI-OLZOCXBDSA-N 2 0 242.407 1.715 20 0 BDADRP CC[NH+]1CCC(N(C)CCC[NH2+]C2CC2)CC1 ZINC000042681350 637357113 /nfs/dbraw/zinc/35/71/13/637357113.db2.gz UYIZCDZRBOSQKL-UHFFFAOYSA-N 2 0 239.407 1.545 20 0 BDADRP [NH3+]CC12CCC(CC1)CN2C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903463469 637364911 /nfs/dbraw/zinc/36/49/11/637364911.db2.gz BXPGJXXXBCKTSA-DKNRTOFZSA-N 2 0 237.391 1.317 20 0 BDADRP CC(C)(C)OC[C@@H]1CCC[N@@H+]1CCC[NH3+] ZINC000903564992 637371402 /nfs/dbraw/zinc/37/14/02/637371402.db2.gz BOJHZLOSXMIYGW-NSHDSACASA-N 2 0 214.353 1.615 20 0 BDADRP CC[N@H+](C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)C(C)C ZINC000903722631 637379275 /nfs/dbraw/zinc/37/92/75/637379275.db2.gz BZNHIEZUUHRHLZ-CHWSQXEVSA-N 2 0 226.364 1.485 20 0 BDADRP CC[N@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)C(C)C ZINC000903725363 637379549 /nfs/dbraw/zinc/37/95/49/637379549.db2.gz YYQONYUWFGLWTK-CYBMUJFWSA-N 2 0 240.391 1.875 20 0 BDADRP CC[N@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C(C)C ZINC000903722634 637379847 /nfs/dbraw/zinc/37/98/47/637379847.db2.gz BZNHIEZUUHRHLZ-STQMWFEESA-N 2 0 226.364 1.485 20 0 BDADRP CCC[N@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903724889 637380125 /nfs/dbraw/zinc/38/01/25/637380125.db2.gz RZIWTJQCDOUZMC-LBPRGKRZSA-N 2 0 226.364 1.487 20 0 BDADRP OC[C@@H]1CCCCC[N@@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903788223 637381790 /nfs/dbraw/zinc/38/17/90/637381790.db2.gz GKRVETWAQGIKFM-KBPBESRZSA-N 2 0 240.391 1.613 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cnn(CCF)c2)C1 ZINC000903788977 637384400 /nfs/dbraw/zinc/38/44/00/637384400.db2.gz SIUCHHSFHZGYNV-LLVKDONJSA-N 2 0 240.326 1.023 20 0 BDADRP CCc1noc([C@@H]2CC[C@H]([NH2+]CCC[NH3+])C2)n1 ZINC000904428124 637398274 /nfs/dbraw/zinc/39/82/74/637398274.db2.gz DPASUTVFBBINRI-ZJUUUORDSA-N 2 0 238.335 1.207 20 0 BDADRP [NH3+]Cc1ccccc1NC[C@H]([NH3+])CC(F)F ZINC000904486304 637427779 /nfs/dbraw/zinc/42/77/79/637427779.db2.gz SIALZENHUUWVRX-SECBINFHSA-N 2 0 229.274 1.540 20 0 BDADRP [NH3+]Cc1ccccc1NC[C@@H]([NH3+])CC(F)F ZINC000904486305 637428182 /nfs/dbraw/zinc/42/81/82/637428182.db2.gz SIALZENHUUWVRX-VIFPVBQESA-N 2 0 229.274 1.540 20 0 BDADRP C[N@H+](Cc1cn([C@@H]2CC[NH2+]C2)nn1)C(C)(C)C ZINC000905058509 637593874 /nfs/dbraw/zinc/59/38/74/637593874.db2.gz ISOARWWEWDQAGD-LLVKDONJSA-N 2 0 237.351 1.043 20 0 BDADRP Cc1cccc([C@H](O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000905916107 637973368 /nfs/dbraw/zinc/97/33/68/637973368.db2.gz XXJMZJKIVWSFFL-SOUVJXGZSA-N 2 0 246.354 1.180 20 0 BDADRP CCC(N)=[NH+]OCC[C@H]1CCCC[N@@H+]1C ZINC000906498386 638174512 /nfs/dbraw/zinc/17/45/12/638174512.db2.gz ABVIYYFSFCQERK-SNVBAGLBSA-N 2 0 213.325 1.769 20 0 BDADRP COc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)cc1F ZINC000906507829 638179157 /nfs/dbraw/zinc/17/91/57/638179157.db2.gz FBTBMQLGGQNCMZ-MGCOHNPYSA-N 2 0 224.279 1.414 20 0 BDADRP Cc1ccc(C[NH2+]C2CC([NH3+])C2)c(C)c1 ZINC000906507823 638179190 /nfs/dbraw/zinc/17/91/90/638179190.db2.gz DTFHPTQKOJIUFC-UHFFFAOYSA-N 2 0 204.317 1.883 20 0 BDADRP Cc1cc(F)ccc1C[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC000906508318 638179546 /nfs/dbraw/zinc/17/95/46/638179546.db2.gz MQDVOYAIMALYIP-HAQNSBGRSA-N 2 0 208.280 1.713 20 0 BDADRP CCc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)s1 ZINC000906508609 638181084 /nfs/dbraw/zinc/18/10/84/638181084.db2.gz RPSPGBXUMGNQJY-KYZUINATSA-N 2 0 210.346 1.890 20 0 BDADRP C[C@@H](Cc1ccccc1F)[NH2+]C1CC([NH3+])C1 ZINC000906511101 638184352 /nfs/dbraw/zinc/18/43/52/638184352.db2.gz SLOWPCHLHJLUDH-GCVQQVDUSA-N 2 0 222.307 1.836 20 0 BDADRP Cc1ccc(CCC[NH2+][C@H]2C[C@H]([NH3+])C2)cn1 ZINC000906517618 638188381 /nfs/dbraw/zinc/18/83/81/638188381.db2.gz IXCNHONANQNFQV-JOCQHMNTSA-N 2 0 219.332 1.402 20 0 BDADRP CCCC[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000906530099 638191820 /nfs/dbraw/zinc/19/18/20/638191820.db2.gz YWELREBRSPFILT-UHFFFAOYSA-N 2 0 241.423 1.650 20 0 BDADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1CCN(C)C1 ZINC000906500770 638195307 /nfs/dbraw/zinc/19/53/07/638195307.db2.gz NNGJWHXGCDSOGU-YPMHNXCESA-N 2 0 248.374 1.203 20 0 BDADRP C[C@H]1CC[C@H](C[N@H+](C)C2CCC([NH3+])CC2)O1 ZINC000149779706 639136451 /nfs/dbraw/zinc/13/64/51/639136451.db2.gz HBLFLKWNDHSNAF-YWPUVAFDSA-N 2 0 226.364 1.756 20 0 BDADRP C[NH2+]CCCNC(=O)[C@H]([NH3+])C1CCCCCC1 ZINC000911675648 639718079 /nfs/dbraw/zinc/71/80/79/639718079.db2.gz DXLUOFFCZVXXCU-GFCCVEGCSA-N 2 0 241.379 1.010 20 0 BDADRP C[NH2+]Cc1ccccc1NC(=O)C1CC([NH2+]C)C1 ZINC000911686084 639723802 /nfs/dbraw/zinc/72/38/02/639723802.db2.gz YEMCRRFVLWGOTD-UHFFFAOYSA-N 2 0 247.342 1.343 20 0 BDADRP C[NH2+]CCCCC(=O)Nc1cccc(C[NH2+]C)c1 ZINC000911688334 639727452 /nfs/dbraw/zinc/72/74/52/639727452.db2.gz MXRIDURWQZTDGM-UHFFFAOYSA-N 2 0 249.358 1.734 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)N1CCCC[C@H]1C[NH3+] ZINC000911722159 639745437 /nfs/dbraw/zinc/74/54/37/639745437.db2.gz QHQPCEDLIGXESD-RYUDHWBXSA-N 2 0 241.379 1.090 20 0 BDADRP CC(C)C[C@@H]([NH3+])CC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000911722161 639745489 /nfs/dbraw/zinc/74/54/89/639745489.db2.gz QHQPCEDLIGXESD-VXGBXAGGSA-N 2 0 241.379 1.090 20 0 BDADRP CCC(CC)(C[NH3+])NC(=O)C[C@H]([NH3+])CC(C)C ZINC000911799458 639820637 /nfs/dbraw/zinc/82/06/37/639820637.db2.gz IFBQXWPMZTWZQC-LLVKDONJSA-N 2 0 243.395 1.384 20 0 BDADRP CC(C)C[C@@H]([NH3+])CC(=O)NC1(C[NH3+])CCCC1 ZINC000911800248 639822696 /nfs/dbraw/zinc/82/26/96/639822696.db2.gz PNDNCYWAFNCLES-LLVKDONJSA-N 2 0 241.379 1.138 20 0 BDADRP CC(C)C[C@H](C[NH3+])NC(=O)C[C@@H]([NH3+])CC(C)C ZINC000911820491 639835767 /nfs/dbraw/zinc/83/57/67/639835767.db2.gz RXVNEEGQNNPWLS-NWDGAFQWSA-N 2 0 243.395 1.240 20 0 BDADRP CC(C)C[C@](C)(C[NH3+])C(=O)NC[C@H]([NH3+])C(C)C ZINC000911827419 639839486 /nfs/dbraw/zinc/83/94/86/639839486.db2.gz UVBXVPKWOSYPLA-WCQYABFASA-N 2 0 243.395 1.097 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)c1ccccc1C[NH3+] ZINC000911880407 639867385 /nfs/dbraw/zinc/86/73/85/639867385.db2.gz VHEHUBOPAYVOEA-LBPRGKRZSA-N 2 0 249.358 1.393 20 0 BDADRP C[C@H]1COC[C@@H]1[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000924844603 640002113 /nfs/dbraw/zinc/00/21/13/640002113.db2.gz VUKARYKENYRRHU-FZMZJTMJSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931355989 640170443 /nfs/dbraw/zinc/17/04/43/640170443.db2.gz XMAWTLURBTUZGW-QWHCGFSZSA-N 2 0 240.391 1.828 20 0 BDADRP CCC[C@@H](O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931436280 640201114 /nfs/dbraw/zinc/20/11/14/640201114.db2.gz GLIUSNWWGOXYPE-YNEHKIRRSA-N 2 0 226.364 1.031 20 0 BDADRP CCSCC[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931439235 640206084 /nfs/dbraw/zinc/20/60/84/640206084.db2.gz NLBAYLQYJFZGPD-NWDGAFQWSA-N 2 0 228.405 1.623 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)CCO1 ZINC000931441033 640206211 /nfs/dbraw/zinc/20/62/11/640206211.db2.gz APHGLGONNHDNIP-XJFOESAGSA-N 2 0 238.375 1.437 20 0 BDADRP CC1CC(C[NH+]2CCC(O)(C[NH+](C)C)CC2)C1 ZINC000931479181 640234354 /nfs/dbraw/zinc/23/43/54/640234354.db2.gz MOEAFFXOSRMGAC-UHFFFAOYSA-N 2 0 240.391 1.421 20 0 BDADRP Nc1ccnc2c1C[N@H+](C[C@@H]1CCOC1)CC2 ZINC000931512357 640242985 /nfs/dbraw/zinc/24/29/85/640242985.db2.gz XNKMFECDNFQCJW-JTQLQIEISA-N 2 0 233.315 1.058 20 0 BDADRP COC/C(C)=C\CN1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000931547803 640265456 /nfs/dbraw/zinc/26/54/56/640265456.db2.gz SXSUORBFYONINC-RHHBVARJSA-N 2 0 238.375 1.605 20 0 BDADRP C[NH+]1CCC(C[NH2+]Cc2cccnc2)CC1 ZINC000044515379 640399570 /nfs/dbraw/zinc/39/95/70/640399570.db2.gz CUBJUPQSBDHATH-UHFFFAOYSA-N 2 0 219.332 1.513 20 0 BDADRP OCCCCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000224780552 640642146 /nfs/dbraw/zinc/64/21/46/640642146.db2.gz LWHDFAATPMXIRW-ZIAGYGMSSA-N 2 0 240.391 1.756 20 0 BDADRP C[N@@H+]1C[C@@H]2C[NH+](CC[C@@H]3CCCO3)C[C@]2(C)C1 ZINC000933733006 640756444 /nfs/dbraw/zinc/75/64/44/640756444.db2.gz YKUHYONWDXFXJR-RDBSUJKOSA-N 2 0 238.375 1.439 20 0 BDADRP [NH3+]C[C@H]1CCC[N@H+](CCCCCCO)C1 ZINC000226418968 640762565 /nfs/dbraw/zinc/76/25/65/640762565.db2.gz XBRPMDBFXRSKGG-GFCCVEGCSA-N 2 0 214.353 1.210 20 0 BDADRP [NH3+]CC1CC[NH+](CCCCCCO)CC1 ZINC000226417463 640763023 /nfs/dbraw/zinc/76/30/23/640763023.db2.gz XHTJFWAHGRYJCM-UHFFFAOYSA-N 2 0 214.353 1.210 20 0 BDADRP C[N@H+](CCCCCCO)CC(C)(C)C[NH3+] ZINC000226429281 640764021 /nfs/dbraw/zinc/76/40/21/640764021.db2.gz MDHPHOQZNCCDLP-UHFFFAOYSA-N 2 0 216.369 1.456 20 0 BDADRP CSCC[C@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000228880133 640902776 /nfs/dbraw/zinc/90/27/76/640902776.db2.gz UKOHTFXIXXPIFJ-VIFPVBQESA-N 2 0 202.367 1.470 20 0 BDADRP [NH3+]C1CC([NH2+]Cc2ccc(Cl)cc2)C1 ZINC000087651286 640957076 /nfs/dbraw/zinc/95/70/76/640957076.db2.gz SPFLIQRQHYFQRS-UHFFFAOYSA-N 2 0 210.708 1.919 20 0 BDADRP [NH3+]C1CC([NH2+]Cc2cccc(Cl)c2)C1 ZINC000087651883 640957876 /nfs/dbraw/zinc/95/78/76/640957876.db2.gz IPZJRQCWBNUSIK-UHFFFAOYSA-N 2 0 210.708 1.919 20 0 BDADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCC[NH2+]CC2)CC1 ZINC000229938326 640996987 /nfs/dbraw/zinc/99/69/87/640996987.db2.gz KCQUCWLSGWGJEI-CQSZACIVSA-N 3 0 239.407 1.450 20 0 BDADRP Cc1ccc(CN2CC[C@H](C[NH3+])C2)cn1 ZINC000062053788 641016051 /nfs/dbraw/zinc/01/60/51/641016051.db2.gz UYICBWAZODNUTO-LLVKDONJSA-N 2 0 205.305 1.171 20 0 BDADRP C[C@H](C[NH2+][C@H]1CCSC1)C[NH+]1CCCC1 ZINC000062077976 641018122 /nfs/dbraw/zinc/01/81/22/641018122.db2.gz NQXHLOLIGDCGFR-NEPJUHHUSA-N 2 0 228.405 1.813 20 0 BDADRP CC(C)NC(=[NH2+])NC[C@@H](C)C[NH+]1CCCC1 ZINC000062072517 641019972 /nfs/dbraw/zinc/01/99/72/641019972.db2.gz YOXCTWHYSRRUKL-LLVKDONJSA-N 2 0 226.368 1.241 20 0 BDADRP CO[C@@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000230314085 641046650 /nfs/dbraw/zinc/04/66/50/641046650.db2.gz JBXNIGCPVRZBTO-NWDGAFQWSA-N 2 0 212.337 1.097 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000230685997 641086998 /nfs/dbraw/zinc/08/69/98/641086998.db2.gz KQCAVZUWPJXJKO-UPJWGTAASA-N 2 0 228.380 1.645 20 0 BDADRP CCN(CCC[NH+](CC)CC)[C@@H]1CC[NH2+]C1 ZINC000230715499 641087808 /nfs/dbraw/zinc/08/78/08/641087808.db2.gz XIPUJSIPELURPU-CYBMUJFWSA-N 2 0 227.396 1.402 20 0 BDADRP CCN(CCC[NH+](C)C)c1cc[nH+]c(CO)c1 ZINC000230728866 641088938 /nfs/dbraw/zinc/08/89/38/641088938.db2.gz OWTQNRKCDQBPLM-UHFFFAOYSA-N 2 0 237.347 1.352 20 0 BDADRP Cc1nc(C[NH2+]CC2(C)CC[NH2+]CC2)cs1 ZINC000062841839 641098678 /nfs/dbraw/zinc/09/86/78/641098678.db2.gz DNXCOYYSLRTKKO-UHFFFAOYSA-N 2 0 239.388 1.931 20 0 BDADRP C[C@]1(CN2CC[NH+](C3CC3)CC2)CCC[NH2+]C1 ZINC000062862535 641100887 /nfs/dbraw/zinc/10/08/87/641100887.db2.gz CWQYLJXYSAVTQD-AWEZNQCLSA-N 2 0 237.391 1.156 20 0 BDADRP CN(Cc1cccnc1)C[C@@]1(C)CCC[NH2+]C1 ZINC000062862041 641101924 /nfs/dbraw/zinc/10/19/24/641101924.db2.gz IOIUNMVJZORWGV-AWEZNQCLSA-N 2 0 233.359 1.903 20 0 BDADRP CCCCC1([NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000934210046 641103383 /nfs/dbraw/zinc/10/33/83/641103383.db2.gz XKNWQRLPCSVKPE-ZDUSSCGKSA-N 2 0 240.391 1.756 20 0 BDADRP C[NH+]1CCC(C[NH2+]Cc2ccoc2)CC1 ZINC000063047459 641121660 /nfs/dbraw/zinc/12/16/60/641121660.db2.gz NWRGATWYVDVJFY-UHFFFAOYSA-N 2 0 208.305 1.711 20 0 BDADRP CC(C)[C@H](CCO)[NH2+]CC1CC[NH+](C)CC1 ZINC000231072721 641136616 /nfs/dbraw/zinc/13/66/16/641136616.db2.gz OPTAFWJKONHEIM-ZDUSSCGKSA-N 2 0 228.380 1.325 20 0 BDADRP Cn1nccc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063197363 641146181 /nfs/dbraw/zinc/14/61/81/641146181.db2.gz DRHPBDMZLREZHK-AWEZNQCLSA-N 2 0 248.374 1.384 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCSC1 ZINC000231347878 641160099 /nfs/dbraw/zinc/16/00/99/641160099.db2.gz ZDILWBHXJZHVMM-AEJSXWLSSA-N 2 0 200.351 1.209 20 0 BDADRP CC[C@@H]1C[C@H]1C[N@H+](C)CCOCC[NH2+]C ZINC000723058057 711498369 /nfs/dbraw/zinc/49/83/69/711498369.db2.gz WNTGOOHSXZMRNN-NEPJUHHUSA-N 2 0 214.353 1.200 20 0 BDADRP CC(C)OCC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000158934011 641657724 /nfs/dbraw/zinc/65/77/24/641657724.db2.gz UTAUFILGTIDPSQ-NSHDSACASA-N 2 0 200.326 1.143 20 0 BDADRP CCN1CC[NH+](CCCC[NH2+]CC(C)C)CC1 ZINC000047892525 641665192 /nfs/dbraw/zinc/66/51/92/641665192.db2.gz YBIAWNKQGYOBOY-UHFFFAOYSA-N 2 0 241.423 1.650 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+]CC2([NH3+])CCC2)C1(C)C ZINC000233763959 642692714 /nfs/dbraw/zinc/69/27/14/642692714.db2.gz HEWGKXKIYRYGRK-QWRGUYRKSA-N 2 0 226.364 1.661 20 0 BDADRP C[N@H+](C[C@H](O)C1CC1)CC1CC[NH+](C)CC1 ZINC000068909557 642808847 /nfs/dbraw/zinc/80/88/47/642808847.db2.gz YSCTXUSOTDLBQU-ZDUSSCGKSA-N 2 0 226.364 1.031 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000353500710 642858043 /nfs/dbraw/zinc/85/80/43/642858043.db2.gz XLNAVGLSKZJYCN-LBPRGKRZSA-N 2 0 236.363 1.719 20 0 BDADRP C[NH+]1CCC(NCc2ccnn2C2CCC2)CC1 ZINC000921498588 642925753 /nfs/dbraw/zinc/92/57/53/642925753.db2.gz JEOFQSPQCCWHEN-UHFFFAOYSA-N 2 0 248.374 1.792 20 0 BDADRP CC(C)(C)[NH2+]CCNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000182267501 642984820 /nfs/dbraw/zinc/98/48/20/642984820.db2.gz ZRTSOAJNCKISSM-GFCCVEGCSA-N 2 0 249.358 1.191 20 0 BDADRP CCCC[NH+]1CCC([NH2+][C@H]2CCOC2)CC1 ZINC000070967220 643089695 /nfs/dbraw/zinc/08/96/95/643089695.db2.gz VXWZCHJDKYOGAJ-ZDUSSCGKSA-N 2 0 226.364 1.629 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CCOC1)C[NH+]1CCCC1 ZINC000070969571 643091784 /nfs/dbraw/zinc/09/17/84/643091784.db2.gz AISRYUWLZDBIMI-VXGBXAGGSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H](NC(=[NH2+])NCC[NH+]1CCCCC1)C1CC1 ZINC000080893653 643166292 /nfs/dbraw/zinc/16/62/92/643166292.db2.gz NAJHRJXOAXBMAA-LLVKDONJSA-N 2 0 238.379 1.175 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCC2(C)OCCO2)CC[N@@H+]1C ZINC000183894621 643179393 /nfs/dbraw/zinc/17/93/93/643179393.db2.gz NJQPPFKETHMTLK-RYUDHWBXSA-N 2 0 242.363 1.212 20 0 BDADRP CN(CC1([NH+](C)C)CCC1)c1cc[nH+]c(CO)c1 ZINC000097929886 643215473 /nfs/dbraw/zinc/21/54/73/643215473.db2.gz HKRDFNUNRBOECJ-UHFFFAOYSA-N 2 0 249.358 1.494 20 0 BDADRP CN(CC1([NH+](C)C)CCC1)c1cc[nH+]cc1CO ZINC000097929882 643215808 /nfs/dbraw/zinc/21/58/08/643215808.db2.gz ILZUCZKRWOHPOM-UHFFFAOYSA-N 2 0 249.358 1.494 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN1C[C@H](C)OC(C)(C)C1 ZINC000082560800 643343367 /nfs/dbraw/zinc/34/33/67/643343367.db2.gz KRMDRWNRZGMWKM-WOPDTQHZSA-N 2 0 226.364 1.341 20 0 BDADRP C[N@H+](CCc1cccs1)C1CC[NH2+]CC1 ZINC000082602682 643352858 /nfs/dbraw/zinc/35/28/58/643352858.db2.gz VSJPGWSMYKKHDB-UHFFFAOYSA-N 2 0 224.373 1.974 20 0 BDADRP COc1ccc([C@H]2CCN(CC[NH3+])C2)cc1 ZINC000075070091 643474125 /nfs/dbraw/zinc/47/41/25/643474125.db2.gz VELIXWMEDJYRFU-LBPRGKRZSA-N 2 0 220.316 1.443 20 0 BDADRP CCCCC[C@H](C)[NH2+]CCN1CC[NH2+]CC1 ZINC000042573923 643508901 /nfs/dbraw/zinc/50/89/01/643508901.db2.gz MTPARFPOFWDIFP-ZDUSSCGKSA-N 2 0 227.396 1.450 20 0 BDADRP CCOc1cccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000050245489 643661172 /nfs/dbraw/zinc/66/11/72/643661172.db2.gz LINHWOKPBSOVAR-ZDUSSCGKSA-N 2 0 234.343 1.866 20 0 BDADRP CCOC1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000085015011 643678642 /nfs/dbraw/zinc/67/86/42/643678642.db2.gz NFEXWZHZVZNNQA-NEPJUHHUSA-N 2 0 226.364 1.615 20 0 BDADRP CCC(CC)(CO)C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000230209801 643767447 /nfs/dbraw/zinc/76/74/47/643767447.db2.gz OWZYOIWQXWVPAF-LBPRGKRZSA-N 2 0 228.380 1.517 20 0 BDADRP C[N@H+](C[C@@H]1CCOC1)C1CCC([NH3+])CC1 ZINC000085869312 643823975 /nfs/dbraw/zinc/82/39/75/643823975.db2.gz UQYZRDHNFCILIQ-UNXYVOJBSA-N 2 0 212.337 1.225 20 0 BDADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)[C@@H]1CCCO1 ZINC000086725807 644167946 /nfs/dbraw/zinc/16/79/46/644167946.db2.gz LDAYFXSYYMANCO-YYJSSNLHSA-N 2 0 212.337 1.413 20 0 BDADRP COC[C@H]1CC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000081051447 644304232 /nfs/dbraw/zinc/30/42/32/644304232.db2.gz SBPJLSLOSYTOPE-NSHDSACASA-N 2 0 212.337 1.097 20 0 BDADRP CCCCCC[C@@H](O)C[NH+]1CCC(C[NH3+])CC1 ZINC000923277771 644309108 /nfs/dbraw/zinc/30/91/08/644309108.db2.gz SSKAHWVSNSBYQR-CQSZACIVSA-N 2 0 242.407 1.988 20 0 BDADRP CC(C)CC[C@H](O)C[NH+]1CCC(C[NH3+])CC1 ZINC000923277756 644310013 /nfs/dbraw/zinc/31/00/13/644310013.db2.gz SGABQPVIQUVCKI-ZDUSSCGKSA-N 2 0 228.380 1.454 20 0 BDADRP CC(C)CC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000923282421 644313427 /nfs/dbraw/zinc/31/34/27/644313427.db2.gz VVFUGGRFYZOBGS-STQMWFEESA-N 2 0 228.380 1.454 20 0 BDADRP Cc1ccc([C@H](O)C[N@@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000923280258 644315806 /nfs/dbraw/zinc/31/58/06/644315806.db2.gz FZHUCMCOPMAUFN-TZMCWYRMSA-N 2 0 234.343 1.309 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H](O)CCC(C)C)C1 ZINC000923285124 644317618 /nfs/dbraw/zinc/31/76/18/644317618.db2.gz ABHPJBUVBLSZQT-STQMWFEESA-N 2 0 228.380 1.325 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000923291435 644317634 /nfs/dbraw/zinc/31/76/34/644317634.db2.gz SGYSPEZMXQWBAF-YUELXQCFSA-N 2 0 248.370 1.259 20 0 BDADRP C[C@@H]1CCCN(CCC[NH2+]C2CC2)[C@H]1C[NH3+] ZINC000923290247 644322656 /nfs/dbraw/zinc/32/26/56/644322656.db2.gz WQRYJQQTPPCWJJ-YPMHNXCESA-N 2 0 225.380 1.188 20 0 BDADRP CCCC[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923299969 644325122 /nfs/dbraw/zinc/32/51/22/644325122.db2.gz KHWRNOZVBZINSX-NSHDSACASA-N 2 0 212.337 1.097 20 0 BDADRP CCCC[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923299968 644326927 /nfs/dbraw/zinc/32/69/27/644326927.db2.gz KHWRNOZVBZINSX-LLVKDONJSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@](C[NH3+])([NH2+]C[C@@H](O)CC1CCCC1)C1CC1 ZINC000923295782 644333106 /nfs/dbraw/zinc/33/31/06/644333106.db2.gz HFTDHESYCYIGCQ-KBPBESRZSA-N 2 0 240.391 1.645 20 0 BDADRP CC(C)CC[C@H](O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000923294984 644333267 /nfs/dbraw/zinc/33/32/67/644333267.db2.gz RYAUAVXNNJNLTB-LBPRGKRZSA-N 2 0 230.396 1.700 20 0 BDADRP CC(C)CC[C@@H](O)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000923300454 644335454 /nfs/dbraw/zinc/33/54/54/644335454.db2.gz SLTCSRALXFFIKJ-CHWSQXEVSA-N 2 0 230.396 1.747 20 0 BDADRP CC(C)CC[C@H](O)C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000923300457 644335976 /nfs/dbraw/zinc/33/59/76/644335976.db2.gz SLTCSRALXFFIKJ-STQMWFEESA-N 2 0 230.396 1.747 20 0 BDADRP CC[C@@H]1C[C@@H](C)C[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923314592 644339885 /nfs/dbraw/zinc/33/98/85/644339885.db2.gz BGDKWBOFJONQDX-JHJVBQTASA-N 2 0 238.375 1.485 20 0 BDADRP C(C[NH2+]C1CC1)C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000923305183 644340451 /nfs/dbraw/zinc/34/04/51/644340451.db2.gz VBGINPCFZCGEQL-LBPRGKRZSA-N 2 0 238.375 1.629 20 0 BDADRP CC[N@H+](CCCO)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923313025 644340711 /nfs/dbraw/zinc/34/07/11/644340711.db2.gz BBSDATZACXGLMI-AGUYFDCRSA-N 2 0 240.391 1.611 20 0 BDADRP CC[C@@]1(C)CC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923315967 644344000 /nfs/dbraw/zinc/34/40/00/644344000.db2.gz AEVARYZDGBIKRR-STQMWFEESA-N 2 0 238.375 1.487 20 0 BDADRP OCCCC[N@H+](CCC[NH2+]C1CC1)C1CC1 ZINC000923315338 644344870 /nfs/dbraw/zinc/34/48/70/644344870.db2.gz HZBPVNTTXIKOJB-UHFFFAOYSA-N 2 0 226.364 1.365 20 0 BDADRP CC(C)CC[C@H](O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000923348591 644360522 /nfs/dbraw/zinc/36/05/22/644360522.db2.gz IIAPJZBVFKQCOZ-KBPBESRZSA-N 2 0 242.407 1.844 20 0 BDADRP CC(C)CC[C@@H](O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000923348593 644360756 /nfs/dbraw/zinc/36/07/56/644360756.db2.gz IIAPJZBVFKQCOZ-UONOGXRCSA-N 2 0 242.407 1.844 20 0 BDADRP C[C@@]1(C[NH3+])CC[N@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000923355804 644373411 /nfs/dbraw/zinc/37/34/11/644373411.db2.gz OGIAGOAKHYNXBF-CABCVRRESA-N 2 0 248.370 1.261 20 0 BDADRP CC[C@H](O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000923356279 644374089 /nfs/dbraw/zinc/37/40/89/644374089.db2.gz GWBOUMXXLCFTQM-STQMWFEESA-N 2 0 226.364 1.079 20 0 BDADRP CCC[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923373077 644390192 /nfs/dbraw/zinc/39/01/92/644390192.db2.gz LPIUPIXBAYMFSA-GFCCVEGCSA-N 2 0 224.348 1.239 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]([NH3+])C[C@@H]2O)[C@@H](C)C1 ZINC000923376358 644392495 /nfs/dbraw/zinc/39/24/95/644392495.db2.gz AHZIBVWUUCYXHF-OKGQBYDBSA-N 2 0 226.364 1.251 20 0 BDADRP C[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H]([NH3+])C[C@@H]2O)[C@H]1C ZINC000923380391 644393966 /nfs/dbraw/zinc/39/39/66/644393966.db2.gz WCQLBVUPEXOCIA-OKGQBYDBSA-N 2 0 226.364 1.251 20 0 BDADRP C(CN[C@H]1CC[NH2+]C12CCC2)C[NH2+]C1CC1 ZINC000923397909 644404514 /nfs/dbraw/zinc/40/45/14/644404514.db2.gz GDFSICQFRUVGNJ-LBPRGKRZSA-N 2 0 223.364 1.003 20 0 BDADRP C[C@H]1C[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H](C)C1(F)F ZINC000923398620 644405244 /nfs/dbraw/zinc/40/52/44/644405244.db2.gz MHLLFVZYWVISIP-QHZLYTNSSA-N 2 0 248.317 1.060 20 0 BDADRP C(C[NH2+]C1CC1)CN1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000923415850 644408787 /nfs/dbraw/zinc/40/87/87/644408787.db2.gz WSDFFJGPIUPDAE-TZMCWYRMSA-N 2 0 237.391 1.202 20 0 BDADRP CC[C@H](O)C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000923415874 644409979 /nfs/dbraw/zinc/40/99/79/644409979.db2.gz RZQBWLDUNOYSMY-AAEUAGOBSA-N 2 0 228.380 1.454 20 0 BDADRP CC[C@H](O)C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000923428695 644422624 /nfs/dbraw/zinc/42/26/24/644422624.db2.gz QGWOPYODMRKVCZ-STQMWFEESA-N 2 0 226.364 1.223 20 0 BDADRP [NH3+][C@H](C[C@@H]1CCC[N@H+](CCO)C1)C1CCCC1 ZINC000923428711 644422791 /nfs/dbraw/zinc/42/27/91/644422791.db2.gz YVEFIIVHZLFMCJ-GXTWGEPZSA-N 2 0 240.391 1.598 20 0 BDADRP CC(C)CC[C@H](O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000923419788 644424226 /nfs/dbraw/zinc/42/42/26/644424226.db2.gz CMGCPZQINJUESW-SDDRHHMPSA-N 2 0 228.380 1.499 20 0 BDADRP c1ccc([C@@H]2C[C@H]2N2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000923459741 644436155 /nfs/dbraw/zinc/43/61/55/644436155.db2.gz DXKULICPHFKDMR-LSDHHAIUSA-N 2 0 245.370 1.037 20 0 BDADRP CCCC[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923458378 644437364 /nfs/dbraw/zinc/43/73/64/644437364.db2.gz OJYDWPCYFMAGAJ-GFCCVEGCSA-N 2 0 226.364 1.616 20 0 BDADRP CC(C)CC[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923459091 644440104 /nfs/dbraw/zinc/44/01/04/644440104.db2.gz ZIFBFPBGQXHBJN-ZDUSSCGKSA-N 2 0 240.391 1.862 20 0 BDADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CC1CC1)CC2 ZINC000923451450 644440403 /nfs/dbraw/zinc/44/04/03/644440403.db2.gz NSUBKQUYAMGNFB-LBPRGKRZSA-N 2 0 224.348 1.226 20 0 BDADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](C/C=C/Cl)CC2 ZINC000923452033 644442008 /nfs/dbraw/zinc/44/20/08/644442008.db2.gz OCXFWNBMOFUGGZ-BQTOJVEASA-N 2 0 244.766 1.569 20 0 BDADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](C/C=C\Cl)CC2 ZINC000923452037 644442316 /nfs/dbraw/zinc/44/23/16/644442316.db2.gz OCXFWNBMOFUGGZ-PNDGHQIGSA-N 2 0 244.766 1.569 20 0 BDADRP CCc1ccc(CN2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000923459973 644442543 /nfs/dbraw/zinc/44/25/43/644442543.db2.gz ISHWPTFEGVFECF-UHFFFAOYSA-N 2 0 247.386 1.244 20 0 BDADRP CCO[C@@H](C[N@@H+]1CC[C@@H](CC[NH3+])C1)C1CC1 ZINC000923480860 644458225 /nfs/dbraw/zinc/45/82/25/644458225.db2.gz KTZUBCFXKFYOQU-YPMHNXCESA-N 2 0 226.364 1.472 20 0 BDADRP CCCCCC[C@H](O)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923480426 644460352 /nfs/dbraw/zinc/46/03/52/644460352.db2.gz YHJHPWFGYPHTIT-KGLIPLIRSA-N 2 0 242.407 1.988 20 0 BDADRP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)nc1 ZINC000923495537 644463124 /nfs/dbraw/zinc/46/31/24/644463124.db2.gz BZFJDAHFQANYCJ-OLZOCXBDSA-N 2 0 233.359 1.807 20 0 BDADRP CCCCOC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923484817 644463672 /nfs/dbraw/zinc/46/36/72/644463672.db2.gz NRASMPWUICGSJV-VXGBXAGGSA-N 2 0 242.363 1.389 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1)C1CCC1 ZINC000923488931 644464634 /nfs/dbraw/zinc/46/46/34/644464634.db2.gz IFISRAFHWNFFLO-IACUBPJLSA-N 2 0 240.391 1.718 20 0 BDADRP Cc1cnccc1C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923490291 644464903 /nfs/dbraw/zinc/46/49/03/644464903.db2.gz MINIEARGFDZINX-QWHCGFSZSA-N 2 0 233.359 1.807 20 0 BDADRP C[C@@H]1C[N@H+](CCCc2ccncc2)CC[C@H]1C[NH3+] ZINC000923492728 644468075 /nfs/dbraw/zinc/46/80/75/644468075.db2.gz CIMJNLROHRKUMR-HIFRSBDPSA-N 2 0 247.386 1.931 20 0 BDADRP Cc1cncc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000923492127 644468348 /nfs/dbraw/zinc/46/83/48/644468348.db2.gz WCQBAUJOMBFRTJ-OCCSQVGLSA-N 2 0 233.359 1.807 20 0 BDADRP C[C@H]1C[N@H+](CCCCCC[NH3+])CC[C@@H]1C[NH3+] ZINC000923493198 644468920 /nfs/dbraw/zinc/46/89/20/644468920.db2.gz FJSALJXBATUUCV-QWHCGFSZSA-N 3 0 227.396 1.422 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccncc2)CC[C@@H]1C[NH3+] ZINC000923497104 644469676 /nfs/dbraw/zinc/46/96/76/644469676.db2.gz KYXKCZDABBRVBD-DGCLKSJQSA-N 2 0 219.332 1.498 20 0 BDADRP Cc1noc(C)c1C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923502570 644470422 /nfs/dbraw/zinc/47/04/22/644470422.db2.gz CASQSXVWFDLHNS-BXKDBHETSA-N 2 0 237.347 1.708 20 0 BDADRP C[C@H]1C[N@H+](Cc2cscn2)CC[C@@H]1C[NH3+] ZINC000923496927 644470592 /nfs/dbraw/zinc/47/05/92/644470592.db2.gz CRCDCKUOODEQQP-VHSXEESVSA-N 2 0 225.361 1.560 20 0 BDADRP Cc1nc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cs1 ZINC000923499405 644472106 /nfs/dbraw/zinc/47/21/06/644472106.db2.gz KIJXZCVSNFQDNU-KOLCDFICSA-N 2 0 239.388 1.868 20 0 BDADRP C[C@@H]1C[N@H+](CCc2cccnc2)CC[C@@H]1C[NH3+] ZINC000923500258 644473479 /nfs/dbraw/zinc/47/34/79/644473479.db2.gz MWNHBKZQTJTHKP-TZMCWYRMSA-N 2 0 233.359 1.541 20 0 BDADRP CCCCCC[C@@H](O)CN1C[C@@H](C)[C@H]([NH3+])C1 ZINC000923508643 644477429 /nfs/dbraw/zinc/47/74/29/644477429.db2.gz KXQXNEFRXHFIFV-JHJVBQTASA-N 2 0 228.380 1.597 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000923548931 644495779 /nfs/dbraw/zinc/49/57/79/644495779.db2.gz CKUFCHYEAWOISX-AWEZNQCLSA-N 2 0 240.391 1.735 20 0 BDADRP [NH3+]CCCN1C[C@@H](CC[NH3+])c2ccccc21 ZINC000923556628 644502069 /nfs/dbraw/zinc/50/20/69/644502069.db2.gz XSQVNGVWQHGHST-LLVKDONJSA-N 2 0 219.332 1.288 20 0 BDADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)(C)O ZINC000322728709 644523331 /nfs/dbraw/zinc/52/33/31/644523331.db2.gz SVTNVVICCWNZIV-YEJSDXFRSA-N 2 0 226.364 1.361 20 0 BDADRP CC[NH+]1CCC(N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000089145445 644535574 /nfs/dbraw/zinc/53/55/74/644535574.db2.gz NRRQAJIYAFLUQJ-OCCSQVGLSA-N 2 0 239.407 1.578 20 0 BDADRP CC[C@](C)(C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)OC ZINC000639312638 644595591 /nfs/dbraw/zinc/59/55/91/644595591.db2.gz LPVJIEUKFKYZHE-FRRDWIJNSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@H]([NH3+])CCC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248880297 644704836 /nfs/dbraw/zinc/70/48/36/644704836.db2.gz SEKVQVWPQIWMOD-SDDRHHMPSA-N 2 0 241.379 1.055 20 0 BDADRP c1cnn(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000250170029 644748525 /nfs/dbraw/zinc/74/85/25/644748525.db2.gz LMZKQSRGHPFMTO-MGPQQGTHSA-N 2 0 248.374 1.393 20 0 BDADRP CC[N@@H+]1CC[C@H](CN[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000250222951 644748888 /nfs/dbraw/zinc/74/88/88/644748888.db2.gz DZVFFIFHZLQMPS-AGIUHOORSA-N 2 0 225.380 1.045 20 0 BDADRP CCOC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000250463396 644759932 /nfs/dbraw/zinc/75/99/32/644759932.db2.gz AQCAWDUZUOJUBD-SDDRHHMPSA-N 2 0 214.353 1.519 20 0 BDADRP Cc1nn(C)c(C)c1C[NH2+]CCC(C)(C)[NH3+] ZINC000304608135 644921504 /nfs/dbraw/zinc/92/15/04/644921504.db2.gz NHKUNQUQVBJVIJ-UHFFFAOYSA-N 2 0 224.352 1.254 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)CCCCCC[NH3+] ZINC000841855359 645229769 /nfs/dbraw/zinc/22/97/69/645229769.db2.gz DYSWGNXMALYFOA-NSHDSACASA-N 2 0 241.379 1.152 20 0 BDADRP CC[C@H](COC)[NH2+]CCCCCC[NH3+] ZINC000843129198 645265743 /nfs/dbraw/zinc/26/57/43/645265743.db2.gz NLKGQSMLVIRUTB-LLVKDONJSA-N 2 0 202.342 1.520 20 0 BDADRP [NH3+]CCOc1ccc(NC[C@H]2CC[NH2+]C2)cc1 ZINC000843365562 645282410 /nfs/dbraw/zinc/28/24/10/645282410.db2.gz FWKLAVQHAFQBNI-NSHDSACASA-N 2 0 235.331 1.046 20 0 BDADRP C[C@@H]1CC[C@@H](O)C[N@@H+]1CCCCCCC[NH3+] ZINC000843391767 645288612 /nfs/dbraw/zinc/28/86/12/645288612.db2.gz YXFRWLIWFCBRDI-CHWSQXEVSA-N 2 0 228.380 1.741 20 0 BDADRP CC(C)C[N@H+](C)CCC[NH2+][C@H]1COC[C@@H]1C ZINC000926644650 645330807 /nfs/dbraw/zinc/33/08/07/645330807.db2.gz IAIJHHBJMKQQJP-STQMWFEESA-N 2 0 228.380 1.589 20 0 BDADRP CC[C@H]1COC[C@H]1[NH2+]CCC[N@H+](C)CC(C)C ZINC000926645771 645330948 /nfs/dbraw/zinc/33/09/48/645330948.db2.gz RMZRVSMNGYIGKT-UONOGXRCSA-N 2 0 242.407 1.979 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@]1(C)CCOC1 ZINC000925488730 645520618 /nfs/dbraw/zinc/52/06/18/645520618.db2.gz VOUBUOMWWIEFRR-JQWIXIFHSA-N 2 0 212.337 1.143 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CCCC1 ZINC000924535817 646054007 /nfs/dbraw/zinc/05/40/07/646054007.db2.gz SYYNYGWNFPSKBL-QYJAPNMZSA-N 2 0 208.349 1.859 20 0 BDADRP C[NH+](C)CCC[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000924538242 646058239 /nfs/dbraw/zinc/05/82/39/646058239.db2.gz HGQDBMRRBSKWSZ-UHFFFAOYSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1[C@@H](C)COC[C@H]1C ZINC000924616683 646079118 /nfs/dbraw/zinc/07/91/18/646079118.db2.gz FMJDBTJEFXCBFB-WDNDVIMCSA-N 2 0 242.407 1.977 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@H](C)C1(Cl)CC1 ZINC000924654312 646086860 /nfs/dbraw/zinc/08/68/60/646086860.db2.gz BJYKCEGDQPZYIU-LLVKDONJSA-N 2 0 248.798 1.704 20 0 BDADRP C[N@@H+]1CCC[C@H]1CNC1[C@@H]2CC[C@H]1C[NH+](C)C2 ZINC000924790462 646107249 /nfs/dbraw/zinc/10/72/49/646107249.db2.gz HLTFHBLXFPQRAW-WJLOJVBCSA-N 2 0 237.391 1.010 20 0 BDADRP C[C@@H](CN[C@@H]1CC[NH2+]C1(C)C)C[NH+]1CCCC1 ZINC000925481081 646292118 /nfs/dbraw/zinc/29/21/18/646292118.db2.gz OFYHCBGUJNVMTM-QWHCGFSZSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H](CN[C@H]1CC[NH2+]C1(C)C)C[NH+]1CCCC1 ZINC000925481080 646292832 /nfs/dbraw/zinc/29/28/32/646292832.db2.gz OFYHCBGUJNVMTM-OLZOCXBDSA-N 2 0 239.407 1.448 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCSC1 ZINC000925483043 646295479 /nfs/dbraw/zinc/29/54/79/646295479.db2.gz ZVJAXVHMKYDLIG-FBTJUVTCSA-N 2 0 226.389 1.422 20 0 BDADRP CCCC[N@H+](C)CCN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925483670 646295602 /nfs/dbraw/zinc/29/56/02/646295602.db2.gz WYYUHDBVYXQSMB-STQMWFEESA-N 2 0 239.407 1.578 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925485992 646297410 /nfs/dbraw/zinc/29/74/10/646297410.db2.gz FNXSQYBRGWVMEI-CYBMUJFWSA-N 3 0 239.407 1.448 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925497698 646301687 /nfs/dbraw/zinc/30/16/87/646301687.db2.gz YSJGANCMXLMEFN-LBPRGKRZSA-N 3 0 225.380 1.058 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@H]2CCCO2)C1 ZINC000925506276 646306231 /nfs/dbraw/zinc/30/62/31/646306231.db2.gz YPEBMWJGZCCREE-IJLUTSLNSA-N 2 0 226.364 1.661 20 0 BDADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCOC2CC2)C1 ZINC000929780560 646309621 /nfs/dbraw/zinc/30/96/21/646309621.db2.gz OURWGNYIYHQXCJ-CYBMUJFWSA-N 2 0 240.391 1.829 20 0 BDADRP CC(C)COCCC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925516771 646310599 /nfs/dbraw/zinc/31/05/99/646310599.db2.gz FKDYRHLYAQQLHV-LBPRGKRZSA-N 2 0 228.380 1.779 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CCCn1cccn1 ZINC000925533353 646318855 /nfs/dbraw/zinc/31/88/55/646318855.db2.gz LXQHQWJIKOZTTI-LLVKDONJSA-N 2 0 222.336 1.003 20 0 BDADRP COCCCCC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925530477 646319540 /nfs/dbraw/zinc/31/95/40/646319540.db2.gz RIDPSZVZRRFKEJ-LLVKDONJSA-N 2 0 214.353 1.533 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925541112 646322092 /nfs/dbraw/zinc/32/20/92/646322092.db2.gz TZBVSIXLGWEDTI-CHWSQXEVSA-N 2 0 240.391 1.659 20 0 BDADRP C[C@H](Cc1ccncc1)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925542810 646323785 /nfs/dbraw/zinc/32/37/85/646323785.db2.gz PKEPFTUTVMOTGB-XBFCOCLRSA-N 2 0 245.370 1.872 20 0 BDADRP CC(C)[N@H+](C)CCN[C@H]1CC[NH2+]C12CCCC2 ZINC000925557023 646334300 /nfs/dbraw/zinc/33/43/00/646334300.db2.gz MKNLKCVNUZROBT-ZDUSSCGKSA-N 2 0 239.407 1.591 20 0 BDADRP CO[C@H](C)CC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925564442 646337436 /nfs/dbraw/zinc/33/74/36/646337436.db2.gz JJBLMZRXVYJVGA-GRYCIOLGSA-N 2 0 228.380 1.907 20 0 BDADRP CCC(CC)(CC)C[NH2+][C@@H]1CNCCOC1 ZINC000925588540 646349759 /nfs/dbraw/zinc/34/97/59/646349759.db2.gz RCTKTYYDDBYRDD-GFCCVEGCSA-N 2 0 228.380 1.781 20 0 BDADRP OCC[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000925620701 646351237 /nfs/dbraw/zinc/35/12/37/646351237.db2.gz XKVSDPGQPICORG-VXGBXAGGSA-N 2 0 224.348 1.022 20 0 BDADRP C[C@H](CO)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925614317 646362904 /nfs/dbraw/zinc/36/29/04/646362904.db2.gz WKSFKORJLZYFLY-RAIGVLPGSA-N 2 0 226.364 1.125 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925621237 646367885 /nfs/dbraw/zinc/36/78/85/646367885.db2.gz ZTTSVANMJRFUJT-NDBYEHHHSA-N 2 0 240.391 1.370 20 0 BDADRP CC1(C)[C@@H]([NH2+]CCn2cccn2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925623408 646369961 /nfs/dbraw/zinc/36/99/61/646369961.db2.gz VPWGFUVHMCWLLS-AGIUHOORSA-N 2 0 248.374 1.249 20 0 BDADRP C[C@@H](O)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925629289 646373527 /nfs/dbraw/zinc/37/35/27/646373527.db2.gz IPBKKDKOVLQIOX-RAIGVLPGSA-N 2 0 226.364 1.125 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925631079 646377174 /nfs/dbraw/zinc/37/71/74/646377174.db2.gz UMGMKVDLHOUBJD-AVGNSLFASA-N 2 0 242.407 1.891 20 0 BDADRP CC[C@@H](CO)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925644045 646384324 /nfs/dbraw/zinc/38/43/24/646384324.db2.gz HXFVUSDZGJTDLS-UONOGXRCSA-N 2 0 236.359 1.827 20 0 BDADRP OCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925644545 646384728 /nfs/dbraw/zinc/38/47/28/646384728.db2.gz NELWLBQSPXEDCP-XQQFMLRXSA-N 2 0 238.375 1.412 20 0 BDADRP CO[C@H](C)C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925645341 646386621 /nfs/dbraw/zinc/38/66/21/646386621.db2.gz PLJSLOUCZBIQGI-WYUUTHIRSA-N 2 0 226.364 1.388 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925646968 646387304 /nfs/dbraw/zinc/38/73/04/646387304.db2.gz YNMACCAQSUVXRF-ZDCRXTMVSA-N 2 0 212.337 1.269 20 0 BDADRP C[C@@H](O)CCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925655736 646393663 /nfs/dbraw/zinc/39/36/63/646393663.db2.gz HCHMUJRPUTTYJX-NEPJUHHUSA-N 2 0 226.364 1.412 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@@H]1CCC[NH2+][C@H]1C ZINC000925663340 646398855 /nfs/dbraw/zinc/39/88/55/646398855.db2.gz QMZZMTCLVKOQJP-FRRDWIJNSA-N 2 0 227.396 1.447 20 0 BDADRP CC[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)OC ZINC000925674920 646405438 /nfs/dbraw/zinc/40/54/38/646405438.db2.gz FLJRIIVKHGQHGQ-QJPTWQEYSA-N 2 0 228.380 1.907 20 0 BDADRP Cc1cccnc1CCN[C@@H]1CC[NH2+]C12CCC2 ZINC000925683480 646411349 /nfs/dbraw/zinc/41/13/49/646411349.db2.gz QSKSNRVJRSAWRE-CQSZACIVSA-N 2 0 245.370 1.807 20 0 BDADRP CCC1(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)COC1 ZINC000925685012 646411357 /nfs/dbraw/zinc/41/13/57/646411357.db2.gz CJKQUPWNDUMIDE-NEPJUHHUSA-N 2 0 240.391 1.909 20 0 BDADRP C1[C@@H]2[C@H]1CCC[C@@H]2[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925687002 646412304 /nfs/dbraw/zinc/41/23/04/646412304.db2.gz YJPYBZRQASGGJS-MCPSUGDUSA-N 2 0 232.371 1.761 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCC[C@H]1CCOC1 ZINC000925688477 646415284 /nfs/dbraw/zinc/41/52/84/646415284.db2.gz PUWQLESHONRTLE-RYUDHWBXSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H](N[C@@H]1C[C@H]([NH3+])C12CCC2)[C@@H]1CCC[NH2+]C1 ZINC000925696329 646421524 /nfs/dbraw/zinc/42/15/24/646421524.db2.gz ZKDSDGOKFDWUAY-QNWHQSFQSA-N 2 0 237.391 1.234 20 0 BDADRP C[C@H](N[C@@H]1C[C@@H]([NH3+])C12CCC2)[C@H]1CCC[NH2+]C1 ZINC000925696331 646422212 /nfs/dbraw/zinc/42/22/12/646422212.db2.gz ZKDSDGOKFDWUAY-WUHRBBMRSA-N 2 0 237.391 1.234 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925699221 646423240 /nfs/dbraw/zinc/42/32/40/646423240.db2.gz JEFKOGNQIYWSGD-LOWDOPEQSA-N 2 0 239.407 1.623 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@H]1CCC[NH2+][C@@H]1C ZINC000925700038 646423436 /nfs/dbraw/zinc/42/34/36/646423436.db2.gz RBZMLJUSYSTGHT-UTUOFQBUSA-N 2 0 213.369 1.234 20 0 BDADRP C[C@H]([NH3+])[C@H](N[C@H]1CC[NH2+]C[C@@H]1C)c1ccccc1 ZINC000925701270 646424376 /nfs/dbraw/zinc/42/43/76/646424376.db2.gz WRFNRGRGVATJRB-JURCDPSOSA-N 2 0 247.386 1.663 20 0 BDADRP C[C@H]([NH3+])[C@H](N[C@H]1CC[NH2+]C[C@H]1C)c1ccccc1 ZINC000925701269 646424517 /nfs/dbraw/zinc/42/45/17/646424517.db2.gz WRFNRGRGVATJRB-DHMWGJHJSA-N 2 0 247.386 1.663 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]CCC2CC[NH2+]CC2)C12CCC2 ZINC000925702050 646427699 /nfs/dbraw/zinc/42/76/99/646427699.db2.gz JWBJHEUTRFIGHD-STQMWFEESA-N 3 0 237.391 1.236 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@H](NC[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000925704981 646428900 /nfs/dbraw/zinc/42/89/00/646428900.db2.gz HFWOCVCOGIRMFC-BJDJZHNGSA-N 2 0 243.370 1.182 20 0 BDADRP C[C@H]([NH3+])[C@H](C)N[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925707555 646432717 /nfs/dbraw/zinc/43/27/17/646432717.db2.gz LEUYJSNFGSQHTN-VTPLQMEGSA-N 2 0 239.407 1.480 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1C[C@H]3CC[C@@H]1O3)[NH2+]2 ZINC000925713476 646438864 /nfs/dbraw/zinc/43/88/64/646438864.db2.gz UBDFJPNXWQSJNQ-BDWVWCEQSA-N 2 0 236.359 1.425 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925715989 646440264 /nfs/dbraw/zinc/44/02/64/646440264.db2.gz NBOLCMUPSVNXQS-GRYCIOLGSA-N 2 0 225.380 1.219 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc[nH]c1=O ZINC000925716709 646441409 /nfs/dbraw/zinc/44/14/09/646441409.db2.gz BUIGXVNODKSGKL-ASZHBFLOSA-N 2 0 247.342 1.393 20 0 BDADRP CC(C)CC[C@H](CO)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925718139 646442588 /nfs/dbraw/zinc/44/25/88/646442588.db2.gz HJHBZACPRGANJE-FRRDWIJNSA-N 2 0 240.391 1.643 20 0 BDADRP COCC1CC([NH2+][C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925727040 646451224 /nfs/dbraw/zinc/45/12/24/646451224.db2.gz BUWUHPIAULCWGO-BPCQOVAHSA-N 2 0 238.375 1.676 20 0 BDADRP C[C@@H](N)[C@@H]([NH2+]CC1CC([NH3+])C1)c1ccccc1 ZINC000925732639 646455810 /nfs/dbraw/zinc/45/58/10/646455810.db2.gz ZHEBSTXFQFSEGY-XXIIAIFYSA-N 2 0 233.359 1.402 20 0 BDADRP CC[C@H](NCCC(C)(C)[NH3+])[C@@H]1CCCC[NH2+]1 ZINC000925738476 646460652 /nfs/dbraw/zinc/46/06/52/646460652.db2.gz VTKZXWGJCKCDHF-RYUDHWBXSA-N 2 0 227.396 1.624 20 0 BDADRP CC(C)([NH3+])CCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000925736262 646460675 /nfs/dbraw/zinc/46/06/75/646460675.db2.gz DURLTHBXBZEXIM-GHMZBOCLSA-N 3 0 213.369 1.363 20 0 BDADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCC(C)(C)[NH3+] ZINC000925737780 646461114 /nfs/dbraw/zinc/46/11/14/646461114.db2.gz LCADNWBKURXQAH-TZMCWYRMSA-N 2 0 249.402 1.662 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1NCCC(C)(C)[NH3+] ZINC000925739082 646461794 /nfs/dbraw/zinc/46/17/94/646461794.db2.gz ZVTLAQOOFQTNGZ-QWRGUYRKSA-N 2 0 213.369 1.092 20 0 BDADRP CC[C@H]([NH2+]CCC(C)(C)[NH3+])c1cnn(C)c1 ZINC000925742193 646461866 /nfs/dbraw/zinc/46/18/66/646461866.db2.gz QBTDFOLNKSRFPO-NSHDSACASA-N 2 0 224.352 1.588 20 0 BDADRP CC[C@H]([NH2+]CCC(C)(C)[NH3+])[C@H]1CCOC1 ZINC000925740309 646461903 /nfs/dbraw/zinc/46/19/03/646461903.db2.gz IEVQYLXMJUMNSX-QWRGUYRKSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@H](NCCC(C)(C)[NH3+])[C@@H]1CCCC[NH2+]1 ZINC000925739536 646462232 /nfs/dbraw/zinc/46/22/32/646462232.db2.gz YEDLJIBUDNGHIT-QWRGUYRKSA-N 2 0 213.369 1.234 20 0 BDADRP C[C@H](NCCC(C)(C)[NH3+])[C@H]1CCCC[NH2+]1 ZINC000925739537 646462778 /nfs/dbraw/zinc/46/27/78/646462778.db2.gz YEDLJIBUDNGHIT-WDEREUQCSA-N 2 0 213.369 1.234 20 0 BDADRP C[C@@H]([NH2+]CCC(C)(C)[NH3+])c1cncs1 ZINC000925742671 646465086 /nfs/dbraw/zinc/46/50/86/646465086.db2.gz WOFLJMOPIBWXHN-MRVPVSSYSA-N 2 0 213.350 1.921 20 0 BDADRP C[C@@H](NCc1cc(N)cc[nH+]1)[C@H]1CCCC[NH2+]1 ZINC000925765465 646466259 /nfs/dbraw/zinc/46/62/59/646466259.db2.gz BUFHFGIMVWCMNA-ZWNOBZJWSA-N 2 0 234.347 1.284 20 0 BDADRP CCC1([NH3+])CCN([C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000925760169 646466444 /nfs/dbraw/zinc/46/64/44/646466444.db2.gz LBEFYQAYLUGXFB-RYUDHWBXSA-N 2 0 225.380 1.188 20 0 BDADRP CCC1([NH3+])CCN([C@H](C)c2c[nH+]ccc2N)CC1 ZINC000925761812 646466794 /nfs/dbraw/zinc/46/67/94/646466794.db2.gz ZMMBZANPQKHLJQ-LLVKDONJSA-N 2 0 248.374 1.758 20 0 BDADRP Nc1cc[nH+]c(CN[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000925767410 646468972 /nfs/dbraw/zinc/46/89/72/646468972.db2.gz OLROJDOBNHVUOA-GWCFXTLKSA-N 2 0 234.347 1.271 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1NCc1cc(N)cc[nH+]1 ZINC000925768788 646469462 /nfs/dbraw/zinc/46/94/62/646469462.db2.gz XFGKMGSQEMDTBW-GWCFXTLKSA-N 2 0 234.347 1.142 20 0 BDADRP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000925773196 646472552 /nfs/dbraw/zinc/47/25/52/646472552.db2.gz MMCSCHGZXNIFLO-HTXLXMOSSA-N 2 0 208.349 1.748 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC2(CCC2)CO1 ZINC000925776051 646476095 /nfs/dbraw/zinc/47/60/95/646476095.db2.gz VAHSFNHCXCNDMO-JHJVBQTASA-N 2 0 238.375 1.805 20 0 BDADRP COCC[C@H]1CCC[C@@H]1[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000925785605 646480657 /nfs/dbraw/zinc/48/06/57/646480657.db2.gz PYOPGUFSUZPAAM-FVCCEPFGSA-N 2 0 226.364 1.389 20 0 BDADRP Cc1ncc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)s1 ZINC000925785896 646481848 /nfs/dbraw/zinc/48/18/48/646481848.db2.gz QBEHYMUPOWWNIP-KKZNHRDASA-N 2 0 239.388 1.958 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000925787326 646483438 /nfs/dbraw/zinc/48/34/38/646483438.db2.gz YNPUBBPXXBXCHA-RFGFWPKPSA-N 2 0 237.391 1.058 20 0 BDADRP CC[C@H](N[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000925786727 646483713 /nfs/dbraw/zinc/48/37/13/646483713.db2.gz VLYIECLOUURAAX-MROQNXINSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cnn(C)c1 ZINC000925798453 646486953 /nfs/dbraw/zinc/48/69/53/646486953.db2.gz KRKMWWOAIMRYCQ-IJLUTSLNSA-N 2 0 236.363 1.316 20 0 BDADRP CC[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CCOC1 ZINC000925795723 646487127 /nfs/dbraw/zinc/48/71/27/646487127.db2.gz IDHFIVDXCOGLRN-YIYPIFLZSA-N 2 0 240.391 1.637 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000925803592 646488796 /nfs/dbraw/zinc/48/87/96/646488796.db2.gz RSIAEFZHSAYOGB-SYQHCUMBSA-N 3 0 239.407 1.482 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@H]1[C@@H]1C[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000925823500 646489980 /nfs/dbraw/zinc/48/99/80/646489980.db2.gz OBKKQNFMHFRIFB-ZEPSMKPISA-N 2 0 208.349 1.619 20 0 BDADRP CN(C)c1cc[nH+]c(CN[C@H]2CCC[C@H]2[NH3+])c1 ZINC000925807836 646490206 /nfs/dbraw/zinc/49/02/06/646490206.db2.gz DLHBYEFUBRODFK-OLZOCXBDSA-N 2 0 234.347 1.117 20 0 BDADRP C[C@H](NCc1cc(N(C)C)cc[nH+]1)[C@@H]1CC[NH2+]C1 ZINC000925813542 646492300 /nfs/dbraw/zinc/49/23/00/646492300.db2.gz UYXWNVHVQFJVAL-NWDGAFQWSA-N 2 0 248.374 1.235 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000925830832 646500915 /nfs/dbraw/zinc/50/09/15/646500915.db2.gz HTXHJVFGCVSRHC-FDYHWXHSSA-N 2 0 224.348 1.415 20 0 BDADRP C[C@H]1COCC[C@@H]1[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925840159 646506724 /nfs/dbraw/zinc/50/67/24/646506724.db2.gz LNNJSSHHCZGDIA-IGQOVBAYSA-N 2 0 238.375 1.533 20 0 BDADRP C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)C1CC1 ZINC000925849001 646509526 /nfs/dbraw/zinc/50/95/26/646509526.db2.gz MRKBHNJKVMLBQA-ZDUSSCGKSA-N 2 0 239.407 1.450 20 0 BDADRP CCC[C@H](O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925855354 646509748 /nfs/dbraw/zinc/50/97/48/646509748.db2.gz GYTSACVZSVHLEZ-HNGCFSAESA-N 2 0 226.364 1.410 20 0 BDADRP COC[C@@H](C[NH2+][C@H]1CC[NH2+]C1(C)C)C(C)C ZINC000925875083 646526669 /nfs/dbraw/zinc/52/66/69/646526669.db2.gz YPPZAHWQVVKULL-NEPJUHHUSA-N 2 0 228.380 1.635 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccn(C)n1 ZINC000925880081 646529225 /nfs/dbraw/zinc/52/92/25/646529225.db2.gz NOJRKGQPNAAZAE-AXFHLTTASA-N 2 0 222.336 1.198 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)[C@@H](C)O1 ZINC000925879288 646529760 /nfs/dbraw/zinc/52/97/60/646529760.db2.gz AIAOPWVCHKBWCE-PZWNZHSQSA-N 2 0 212.337 1.269 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879959 646529817 /nfs/dbraw/zinc/52/98/17/646529817.db2.gz NBGKTBJHKBMNDR-NDBYEHHHSA-N 3 0 225.380 1.221 20 0 BDADRP C[C@H]([NH2+]C[C@]12C[C@H]1CCC2)[C@H]1CCC[NH2+]1 ZINC000925879824 646529845 /nfs/dbraw/zinc/52/98/45/646529845.db2.gz DIOVGFOSECAXSX-LOWDOPEQSA-N 2 0 208.349 1.907 20 0 BDADRP C[C@@H](CC[NH2+][C@@H]1COC[C@H]1C)[NH+]1CCCCC1 ZINC000926144409 646583450 /nfs/dbraw/zinc/58/34/50/646583450.db2.gz PKVIZROKYBZABT-HZSPNIEDSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H](CC[NH2+][C@H]1COC[C@H]1C)[NH+]1CCCCC1 ZINC000926144410 646583535 /nfs/dbraw/zinc/58/35/35/646583535.db2.gz PKVIZROKYBZABT-MCIONIFRSA-N 2 0 240.391 1.875 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@@H]1CCOC1 ZINC000926142648 646583888 /nfs/dbraw/zinc/58/38/88/646583888.db2.gz PCXJCROFNBGKFR-HABKJSAYSA-N 2 0 238.375 1.343 20 0 BDADRP C[C@@H]1COC[C@H]1[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000926169472 646587454 /nfs/dbraw/zinc/58/74/54/646587454.db2.gz FMGSGNZWHCCWOD-CHWSQXEVSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1cn(C)cn1 ZINC000926450696 646642481 /nfs/dbraw/zinc/64/24/81/646642481.db2.gz QMJMMPQGDOUIEE-UWVGGRQHSA-N 2 0 245.330 1.351 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)C1 ZINC000724807939 711615890 /nfs/dbraw/zinc/61/58/90/711615890.db2.gz AXNBGEOCLKWZOR-LOWDOPEQSA-N 2 0 224.348 1.225 20 0 BDADRP C(C1CCOCC1)[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000257650796 711722504 /nfs/dbraw/zinc/72/25/04/711722504.db2.gz DIEQSBGPIREFER-CYBMUJFWSA-N 2 0 224.348 1.241 20 0 BDADRP CCOCCOCC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000925875560 711761670 /nfs/dbraw/zinc/76/16/70/711761670.db2.gz UNXVYZQFBFTMMQ-STQMWFEESA-N 2 0 244.379 1.289 20 0 BDADRP C[NH2+]CC1CC[NH+](C[C@@H](COC)C(C)C)CC1 ZINC000721965276 711845233 /nfs/dbraw/zinc/84/52/33/711845233.db2.gz ZEELKTRDZYJQKT-AWEZNQCLSA-N 2 0 242.407 1.836 20 0 BDADRP CO[C@H]1C[C@@H](CN2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000721921289 711937134 /nfs/dbraw/zinc/93/71/34/711937134.db2.gz XJCHHXPTFYJVBA-RVMXOQNASA-N 2 0 224.348 1.095 20 0 BDADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@@H]1CCC(F)(F)C1)C2 ZINC000702096640 712038540 /nfs/dbraw/zinc/03/85/40/712038540.db2.gz AYCDXHXUNAZIAC-GRYCIOLGSA-N 2 0 244.329 1.963 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH2+]C2CCC(C)(O)CC2)C1 ZINC000703018671 712065174 /nfs/dbraw/zinc/06/51/74/712065174.db2.gz ZDSKVMVVDWORCD-IYXRBSQSSA-N 2 0 240.391 1.611 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]C1CCC(C)(O)CC1 ZINC000703602981 712081666 /nfs/dbraw/zinc/08/16/66/712081666.db2.gz AXFZGUBXUQNBJE-OTTFEQOBSA-N 2 0 244.379 1.024 20 0 BDADRP [NH3+]C1CCC([NH2+]CC[C@@H]2CCSC2)CC1 ZINC000704813551 712118554 /nfs/dbraw/zinc/11/85/54/712118554.db2.gz RKBRIDROJFRBSW-VOMCLLRMSA-N 2 0 228.405 1.989 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)CC[C@H]1[NH3+] ZINC000708332119 712188180 /nfs/dbraw/zinc/18/81/80/712188180.db2.gz PHLCUMQOWMGDJD-JHJVBQTASA-N 2 0 240.391 1.861 20 0 BDADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC[C@@H]1CCCO1)C2 ZINC000709828349 712228818 /nfs/dbraw/zinc/22/88/18/712228818.db2.gz UVODKOZETDKPGE-CYDGBPFRSA-N 2 0 224.348 1.367 20 0 BDADRP [NH3+]CCC[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000710621745 712264077 /nfs/dbraw/zinc/26/40/77/712264077.db2.gz YEHQVFDGUUCBCB-SECBINFHSA-N 2 0 211.334 1.281 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H](CF)C2)C1 ZINC000711444302 712300686 /nfs/dbraw/zinc/30/06/86/712300686.db2.gz QHTBYEHNWGZHBR-SDDRHHMPSA-N 2 0 214.328 1.795 20 0 BDADRP CC(C)([NH3+])C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711552007 712309323 /nfs/dbraw/zinc/30/93/23/712309323.db2.gz MYGGFXWHMKMNQN-DTORHVGOSA-N 2 0 200.351 1.019 20 0 BDADRP C(C[N@@H+]1C[C@@H]2CSC[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000711534872 712309974 /nfs/dbraw/zinc/30/99/74/712309974.db2.gz NMLSMIWYXFHNTF-RWMBFGLXSA-N 2 0 240.416 1.671 20 0 BDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCOC1CC1 ZINC000711751856 712324763 /nfs/dbraw/zinc/32/47/63/712324763.db2.gz JCMOVTFTCFLNCN-GFCCVEGCSA-N 2 0 214.353 1.471 20 0 BDADRP C(C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)OC1CC1 ZINC000711786897 712330238 /nfs/dbraw/zinc/33/02/38/712330238.db2.gz QGOOEFUQTDQOSH-ZDUSSCGKSA-N 2 0 224.348 1.241 20 0 BDADRP C[C@H](C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C[NH+](C)C ZINC000378907094 712366769 /nfs/dbraw/zinc/36/67/69/712366769.db2.gz ZQEFCAFWKBNHEK-NDBYEHHHSA-N 2 0 210.365 1.962 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)[NH3+])CCO1 ZINC000379517600 712387186 /nfs/dbraw/zinc/38/71/86/712387186.db2.gz AZGQCFUGAAXPHL-ZJUUUORDSA-N 2 0 200.326 1.271 20 0 BDADRP C[C@@H]([NH3+])CCC(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712668303 712439812 /nfs/dbraw/zinc/43/98/12/712439812.db2.gz IIHSZRZCOZDFEZ-LLVKDONJSA-N 2 0 241.379 1.057 20 0 BDADRP CC1(C)CC[C@@H](C[NH+]2CCC([NH3+])CC2)OC1 ZINC000713595983 712466224 /nfs/dbraw/zinc/46/62/24/712466224.db2.gz KAOMCPXPHQEORI-LBPRGKRZSA-N 2 0 226.364 1.615 20 0 BDADRP CC1(C)CCC[C@H](C[N@@H+]2CC[C@H](C[NH3+])C2)O1 ZINC000714375672 712484623 /nfs/dbraw/zinc/48/46/23/712484623.db2.gz VWSGQDFUIHRVGP-VXGBXAGGSA-N 2 0 226.364 1.615 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000714615204 712488545 /nfs/dbraw/zinc/48/85/45/712488545.db2.gz VSHOBXMDMRYZMB-OBJOEFQTSA-N 2 0 240.391 1.731 20 0 BDADRP CCC1([NH+](C)C)CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000715178159 712513131 /nfs/dbraw/zinc/51/31/31/712513131.db2.gz JJTGHNILASZRQR-CYBMUJFWSA-N 2 0 240.391 1.564 20 0 BDADRP C[C@H]1COC[C@H]1[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715584767 712527135 /nfs/dbraw/zinc/52/71/35/712527135.db2.gz RBKLUZQOOCVBTH-RJZJGCCBSA-N 2 0 240.391 1.874 20 0 BDADRP CCC[C@H](CCO)[NH2+]CC1CC[NH+](C)CC1 ZINC000716957272 712600112 /nfs/dbraw/zinc/60/01/12/712600112.db2.gz YFWHNLGDOJXWPX-CYBMUJFWSA-N 2 0 228.380 1.469 20 0 BDADRP CC1(C)CO[C@H](C[NH2+][C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000717319111 712646669 /nfs/dbraw/zinc/64/66/69/712646669.db2.gz QKMVMGUKPBEQBH-AVGNSLFASA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000037485314 712650912 /nfs/dbraw/zinc/65/09/12/712650912.db2.gz SRLYDIZYWIIABP-GHMZBOCLSA-N 2 0 208.349 1.859 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CC(C)(C)CO1)[C@H]1CCC[NH2+]1 ZINC000717377662 712652742 /nfs/dbraw/zinc/65/27/42/712652742.db2.gz SNMGQLLHBKEKGU-YNEHKIRRSA-N 2 0 240.391 1.922 20 0 BDADRP C[N@H+](C[C@H](O)CC1CCCC1)C1CC([NH3+])C1 ZINC000384949134 712707029 /nfs/dbraw/zinc/70/70/29/712707029.db2.gz FYBWGVBGMYRVGB-WXRRBKDZSA-N 2 0 226.364 1.349 20 0 BDADRP CO[C@@H]1CC[C@@H](C)[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000717957823 712735369 /nfs/dbraw/zinc/73/53/69/712735369.db2.gz TXFRYXNGIIACEP-FVCCEPFGSA-N 2 0 226.364 1.613 20 0 BDADRP C[C@@H]1CC[N@H+](CCc2ccns2)C[C@H]1C[NH3+] ZINC000719843967 712825645 /nfs/dbraw/zinc/82/56/45/712825645.db2.gz FUPOMYLHYUEYBW-GHMZBOCLSA-N 2 0 239.388 1.602 20 0 BDADRP CC[C@H](C)[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720869949 712871646 /nfs/dbraw/zinc/87/16/46/712871646.db2.gz AHEGJGOCWWIQKH-XHNCKOQMSA-N 2 0 224.270 1.854 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@H](O)C1)C1CC[NH+](C)CC1 ZINC000720894710 712876441 /nfs/dbraw/zinc/87/64/41/712876441.db2.gz XGMWSHRDHLPRTR-GVXVVHGQSA-N 2 0 226.364 1.077 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)O1 ZINC000381204660 710608018 /nfs/dbraw/zinc/60/80/18/710608018.db2.gz CNTRSWCCAVRNNT-YVECIDJPSA-N 2 0 224.348 1.095 20 0 BDADRP CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000723096088 710726269 /nfs/dbraw/zinc/72/62/69/710726269.db2.gz DZYHWRWDXZDNMS-RDBSUJKOSA-N 2 0 237.391 1.012 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccns2)C[C@H]1CC[NH3+] ZINC000723890250 710733341 /nfs/dbraw/zinc/73/33/41/710733341.db2.gz COQRSNITYOJRPH-NXEZZACHSA-N 2 0 225.361 1.560 20 0 BDADRP C[N@H+](CCC[NH3+])Cc1ccc2cc[nH]c2c1 ZINC000382076134 710773483 /nfs/dbraw/zinc/77/34/83/710773483.db2.gz JGURTORMHQSERH-UHFFFAOYSA-N 2 0 217.316 1.949 20 0 BDADRP C[C@H]1C[N@H+](CC2CCOCC2)CC[C@@H]1C[NH3+] ZINC000133089030 710967405 /nfs/dbraw/zinc/96/74/05/710967405.db2.gz ILFNAAFORSEAOE-WCQYABFASA-N 2 0 226.364 1.330 20 0 BDADRP CCCCOCC[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000133090781 710968365 /nfs/dbraw/zinc/96/83/65/710968365.db2.gz RQFPVWYABRARRT-OLZOCXBDSA-N 2 0 228.380 1.720 20 0 BDADRP C[C@H](CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)[N@H+](C)C1CC1 ZINC000385550161 711015079 /nfs/dbraw/zinc/01/50/79/711015079.db2.gz WVNFLTDWXRPJLT-JIGBKUHMSA-N 2 0 249.402 1.055 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@H](CO)C2CCCC2)CC1 ZINC000386137510 711023810 /nfs/dbraw/zinc/02/38/10/711023810.db2.gz PYQNYDLNNXIKLW-CQSZACIVSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@H]([NH2+]CCC(C)(C)[NH3+])[C@@H]1CCCOC1 ZINC000389067752 711072042 /nfs/dbraw/zinc/07/20/42/711072042.db2.gz LPHOXTKSQICXAZ-WDEREUQCSA-N 2 0 214.353 1.519 20 0 BDADRP C[N@H+](Cc1cc[nH]n1)C1CCC([NH3+])CC1 ZINC000390491290 711120004 /nfs/dbraw/zinc/12/00/04/711120004.db2.gz QMSRVSGYUNFEPT-UHFFFAOYSA-N 2 0 208.309 1.111 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCOC2CCC2)CC[N@@H+]1C ZINC000390593262 711128281 /nfs/dbraw/zinc/12/82/81/711128281.db2.gz ZUWWFTUNGIMEIT-RYUDHWBXSA-N 2 0 226.364 1.628 20 0 BDADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCc3cccnc32)CC1 ZINC000392236062 711142762 /nfs/dbraw/zinc/14/27/62/711142762.db2.gz FUWSDIPBSMOEPT-CQSZACIVSA-N 2 0 243.354 1.920 20 0 BDADRP OCCCCCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000392910029 711153716 /nfs/dbraw/zinc/15/37/16/711153716.db2.gz WSHQLPIMOVBIHW-QSLWVIQJSA-N 2 0 238.375 1.125 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@H](CO)CC(C)(C)C)CC1 ZINC000393500868 711162065 /nfs/dbraw/zinc/16/20/65/711162065.db2.gz YNRZZIIPDUTWKU-ZDUSSCGKSA-N 2 0 242.407 1.715 20 0 BDADRP C[C@@H](CN[C@@H]1CCC[NH2+][C@H]1C)[NH+]1CCCCC1 ZINC000396570258 711354701 /nfs/dbraw/zinc/35/47/01/711354701.db2.gz AJTXQOYHCNFBJT-MELADBBJSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H](CN[C@H]1CCC[NH2+][C@H]1C)[NH+]1CCCCC1 ZINC000396570257 711354818 /nfs/dbraw/zinc/35/48/18/711354818.db2.gz AJTXQOYHCNFBJT-IHRRRGAJSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@H]1[NH2+]CCC[C@H]1NCC[NH+]1CCCCCC1 ZINC000396596571 711355284 /nfs/dbraw/zinc/35/52/84/711355284.db2.gz LTWQDAGFJZFYFO-ZIAGYGMSSA-N 2 0 239.407 1.593 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000398547113 711412324 /nfs/dbraw/zinc/41/23/24/711412324.db2.gz FMNLMBBLGDWKLJ-VZKILSJISA-N 2 0 238.375 1.124 20 0 BDADRP C[C@H]1COCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000399249388 711426152 /nfs/dbraw/zinc/42/61/52/711426152.db2.gz FDRLPQMYROVELQ-CHWSQXEVSA-N 2 0 226.364 1.344 20 0 BDADRP CC[C@@]1(C)CC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000399443474 711430135 /nfs/dbraw/zinc/43/01/35/711430135.db2.gz VANROENZGQMXKJ-AGIUHOORSA-N 2 0 210.365 1.964 20 0 BDADRP C[C@@H]1CC[C@@H](O)C[N@@H+]1CCCCCC[NH3+] ZINC000399510528 711430489 /nfs/dbraw/zinc/43/04/89/711430489.db2.gz ZHQZGGRWXMKVOS-VXGBXAGGSA-N 2 0 214.353 1.351 20 0 BDADRP C[N@H+](C[C@@H](O)C[NH3+])C[C@H]1CC2CCC1CC2 ZINC000399890465 711436070 /nfs/dbraw/zinc/43/60/70/711436070.db2.gz JBIZPRHXYXEUJG-TUUUFIMRSA-N 2 0 226.364 1.064 20 0 BDADRP Cc1nc(C)c(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)s1 ZINC000381262402 710614402 /nfs/dbraw/zinc/61/44/02/710614402.db2.gz SHZJHGNAQRJMEO-KCJUWKMLSA-N 2 0 239.388 1.705 20 0 BDADRP CCC[N@H+](C[C@H](O)CN1CCCC1)C1CC1 ZINC000381266951 710615117 /nfs/dbraw/zinc/61/51/17/710615117.db2.gz ULGUJOBONNWZCP-CYBMUJFWSA-N 2 0 226.364 1.318 20 0 BDADRP COC[C@@H](C[N@@H+]1CC[C@@H](C[NH3+])C1)C(C)C ZINC000721915168 710692822 /nfs/dbraw/zinc/69/28/22/710692822.db2.gz UDXBEBARNXRJAE-NWDGAFQWSA-N 2 0 214.353 1.186 20 0 BDADRP FC1(F)CC(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000383195287 710979143 /nfs/dbraw/zinc/97/91/43/710979143.db2.gz XQVHLCQQYVYDJT-NGDQXYMTSA-N 2 0 242.313 1.618 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)CCCC[NH3+])N1CCCCC1 ZINC000383610364 710984746 /nfs/dbraw/zinc/98/47/46/710984746.db2.gz SMYWMSHWBCRZPI-UONOGXRCSA-N 2 0 241.423 1.968 20 0 BDADRP C=C/C=C\CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000713735587 711494242 /nfs/dbraw/zinc/49/42/42/711494242.db2.gz PRGDNEPXVZCERM-JXLSXLBDSA-N 2 0 206.333 1.803 20 0 BDADRP CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000723122562 711505828 /nfs/dbraw/zinc/50/58/28/711505828.db2.gz QSQFDQZFABLETF-FVCCEPFGSA-N 2 0 210.365 1.949 20 0 BDADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000723627483 711527124 /nfs/dbraw/zinc/52/71/24/711527124.db2.gz DHUJGRSSICSTKM-KIJLLGNVSA-N 2 0 226.364 1.517 20 0 BDADRP Cc1nc(C)c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)o1 ZINC000723642463 711529520 /nfs/dbraw/zinc/52/95/20/711529520.db2.gz WCVSWXHTZLIPBY-YNEHKIRRSA-N 2 0 249.358 1.851 20 0 BDADRP CC[C@@H]1CO[C@H](C)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000891475241 711532464 /nfs/dbraw/zinc/53/24/64/711532464.db2.gz DVJUCDYPCUWVDH-TZMCWYRMSA-N 2 0 240.391 1.828 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC000723711734 711536116 /nfs/dbraw/zinc/53/61/16/711536116.db2.gz HTBCWPAITQNQGA-JTQLQIEISA-N 2 0 239.750 1.906 20 0 BDADRP C[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)C[C@H]1CC[NH3+] ZINC000723892999 711544099 /nfs/dbraw/zinc/54/40/99/711544099.db2.gz VGCIHZDHDVLZTN-MXWKQRLJSA-N 2 0 248.317 1.327 20 0 BDADRP Cc1cncc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000723910351 711544593 /nfs/dbraw/zinc/54/45/93/711544593.db2.gz YYNOPJBPQHZINR-TZMCWYRMSA-N 2 0 233.359 1.807 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1CC[NH3+] ZINC000723900391 711544832 /nfs/dbraw/zinc/54/48/32/711544832.db2.gz BNDLHNQTBBVGTN-FRRDWIJNSA-N 2 0 226.364 1.330 20 0 BDADRP Cc1cn(C)nc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000723964289 711548265 /nfs/dbraw/zinc/54/82/65/711548265.db2.gz NSRKIBCMGMQEFM-UHFFFAOYSA-N 2 0 236.363 1.289 20 0 BDADRP CC[C@@H]([NH2+]CCC[NH+](C)C)[C@H]1CCCOC1 ZINC000723974357 711549843 /nfs/dbraw/zinc/54/98/43/711549843.db2.gz KQEGTPLVMBAVNY-QWHCGFSZSA-N 2 0 228.380 1.733 20 0 BDADRP CO[C@@H]1CC[C@H]1[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000724154702 711565501 /nfs/dbraw/zinc/56/55/01/711565501.db2.gz YRLBVXXLCLSXGT-YNEHKIRRSA-N 2 0 226.364 1.485 20 0 BDADRP Cc1n[nH]cc1C[N@H+](C)CCCCCC[NH3+] ZINC000724776974 711611037 /nfs/dbraw/zinc/61/10/37/711611037.db2.gz RJOUZZQYMKCIMX-UHFFFAOYSA-N 2 0 224.352 1.669 20 0 BDADRP CC(C)[C@H]([NH3+])c1noc(CCn2ccnc2)n1 ZINC000721363457 711614240 /nfs/dbraw/zinc/61/42/40/711614240.db2.gz BPUCFEZXFFZQHM-JTQLQIEISA-N 2 0 235.291 1.165 20 0 BDADRP CC[N@@H+]1CCCN(Cc2[nH]c(C)nc2C)CC1 ZINC000724791446 711615175 /nfs/dbraw/zinc/61/51/75/711615175.db2.gz HMWWANMWCDSATJ-UHFFFAOYSA-N 2 0 236.363 1.554 20 0 BDADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCO[C@@H]1CCOC1 ZINC000724926554 711629334 /nfs/dbraw/zinc/62/93/34/711629334.db2.gz RQODRJAJFNZKHV-OLZOCXBDSA-N 2 0 244.379 1.097 20 0 BDADRP CCc1nn(C)cc1C[NH2+]C1CCC([NH3+])CC1 ZINC000168669389 711684754 /nfs/dbraw/zinc/68/47/54/711684754.db2.gz SXMAPIVWHNGDDR-UHFFFAOYSA-N 2 0 236.363 1.342 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1NCC[N@H+](C)C1CCCC1 ZINC000396595152 711702777 /nfs/dbraw/zinc/70/27/77/711702777.db2.gz LGNBXGOBDQHDTD-GXTWGEPZSA-N 2 0 239.407 1.591 20 0 BDADRP COC[C@H]([NH2+]CCCCCC[NH3+])C1CC1 ZINC000398033658 711708508 /nfs/dbraw/zinc/70/85/08/711708508.db2.gz MDUMXYBNTYPPTC-LBPRGKRZSA-N 2 0 214.353 1.520 20 0 BDADRP C[NH2+]C[C@H](C)N[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925718045 711713393 /nfs/dbraw/zinc/71/33/93/711713393.db2.gz VTJJZAXPFLFTDM-IACUBPJLSA-N 2 0 239.407 1.352 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2COCC2(C)C)C1 ZINC000313147684 711713901 /nfs/dbraw/zinc/71/39/01/711713901.db2.gz SVKKGPINQDGLAT-NEPJUHHUSA-N 2 0 226.364 1.343 20 0 BDADRP C(CN1CC[C@]2(CCC[NH2+]2)C1)C1CC[NH2+]CC1 ZINC000334979407 711719273 /nfs/dbraw/zinc/71/92/73/711719273.db2.gz GSODKGQSRNZBAV-CQSZACIVSA-N 2 0 237.391 1.204 20 0 BDADRP CC[C@H](NCc1cc(N)cc[nH+]1)[C@H]1CCCC[NH2+]1 ZINC000925767398 711740106 /nfs/dbraw/zinc/74/01/06/711740106.db2.gz ODZUDMPBMFSUGY-UONOGXRCSA-N 2 0 248.374 1.674 20 0 BDADRP CC[C@H](COC)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925875425 711761662 /nfs/dbraw/zinc/76/16/62/711761662.db2.gz HCXFMMCULZZDCC-OUAUKWLOSA-N 2 0 200.326 1.128 20 0 BDADRP CC[C@H](Cn1cncn1)[NH2+]CCCCCC[NH3+] ZINC000843340783 711762396 /nfs/dbraw/zinc/76/23/96/711762396.db2.gz FDRLOLICZNJPFH-GFCCVEGCSA-N 2 0 239.367 1.165 20 0 BDADRP Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000229066687 711837373 /nfs/dbraw/zinc/83/73/73/711837373.db2.gz BOTXHBULYCASPG-RISCZKNCSA-N 2 0 233.359 1.807 20 0 BDADRP CC(C)(C)CC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702119075 711867018 /nfs/dbraw/zinc/86/70/18/711867018.db2.gz DDKPIYUYIDGEBJ-WCQYABFASA-N 2 0 210.365 1.964 20 0 BDADRP CC[C@H](O)C[NH+]1CCC(CC[NH2+]C)CC1 ZINC000069730467 711893597 /nfs/dbraw/zinc/89/35/97/711893597.db2.gz CZRSNYSDZBNNJC-LBPRGKRZSA-N 2 0 214.353 1.079 20 0 BDADRP COC[C@H](C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1)C(C)C ZINC000721913918 711918473 /nfs/dbraw/zinc/91/84/73/711918473.db2.gz QQKQFULMHPWAHT-RDBSUJKOSA-N 2 0 242.407 1.964 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2CCCC[C@@H]2CC[NH3+])C1 ZINC000721926346 711937693 /nfs/dbraw/zinc/93/76/93/711937693.db2.gz DUSNMVFBTZVMPV-UPJWGTAASA-N 2 0 226.364 1.615 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)C1 ZINC000721959064 711948115 /nfs/dbraw/zinc/94/81/15/711948115.db2.gz DVWSGUXTMKOSGO-POQQGIQPSA-N 2 0 240.391 1.717 20 0 BDADRP Cc1noc(C)c1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000086109931 711960900 /nfs/dbraw/zinc/96/09/00/711960900.db2.gz LKYKTRQQQOGKHJ-PWSUYJOCSA-N 2 0 223.320 1.508 20 0 BDADRP C[C@H](C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)CC(F)F ZINC000700029608 711983238 /nfs/dbraw/zinc/98/32/38/711983238.db2.gz NSPROQFMMPIUBT-FABMZRAQSA-N 2 0 244.329 1.864 20 0 BDADRP C[C@@H](CC[NH2+][C@H]1CCO[C@H](C)C1)[NH+](C)C ZINC000700421937 711992922 /nfs/dbraw/zinc/99/29/22/711992922.db2.gz HMOZGDLSJXWKKL-TUAOUCFPSA-N 2 0 214.353 1.484 20 0 BDADRP COC1CC([NH2+]CC[C@@H](C)[NH+](C)C)C1 ZINC000700506892 711995286 /nfs/dbraw/zinc/99/52/86/711995286.db2.gz CRCPXGZEASIMHA-KPPDAEKUSA-N 2 0 200.326 1.094 20 0 BDADRP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000701017742 712011703 /nfs/dbraw/zinc/01/17/03/712011703.db2.gz QMJYEKWIDHGKDH-LREJFELKSA-N 2 0 238.375 1.658 20 0 BDADRP CCO[C@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000701718521 712028113 /nfs/dbraw/zinc/02/81/13/712028113.db2.gz RXJMIHPRICSIEB-NEPJUHHUSA-N 2 0 212.337 1.097 20 0 BDADRP [NH3+]CCCCCCC[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000702095002 712038561 /nfs/dbraw/zinc/03/85/61/712038561.db2.gz WWLIIQAPALIQEH-UONOGXRCSA-N 2 0 240.391 1.864 20 0 BDADRP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCCCCCO)C2 ZINC000702461994 712053621 /nfs/dbraw/zinc/05/36/21/712053621.db2.gz WWRQQEHWWDOKJY-OKILXGFUSA-N 2 0 240.391 1.471 20 0 BDADRP C[NH+](C)CCC[NH2+]C1CCC(C)(O)CC1 ZINC000702993302 712063367 /nfs/dbraw/zinc/06/33/67/712063367.db2.gz LFPZPPGCVSFXES-UHFFFAOYSA-N 2 0 214.353 1.221 20 0 BDADRP CC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C[C@@H]1CCCO1 ZINC000703587910 712079848 /nfs/dbraw/zinc/07/98/48/712079848.db2.gz HYUJLHIZTCTMKF-TUAOUCFPSA-N 2 0 212.337 1.225 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H](CC)CO1 ZINC000703616583 712081482 /nfs/dbraw/zinc/08/14/82/712081482.db2.gz OIOSHUSQJGFCMG-QNWHQSFQSA-N 2 0 226.364 1.613 20 0 BDADRP CC1(O)CCC([NH2+][C@H]2CCC[NH2+]CC2)CC1 ZINC000703605232 712082131 /nfs/dbraw/zinc/08/21/31/712082131.db2.gz YTNJGOXDKUTRLL-HIFPTAJRSA-N 2 0 226.364 1.412 20 0 BDADRP CC[C@@H]1C[N@H+](CC2CC(OC)C2)CC[C@H]1[NH3+] ZINC000703909244 712094251 /nfs/dbraw/zinc/09/42/51/712094251.db2.gz YLSAMDBBCMMBOZ-POOIEITISA-N 2 0 226.364 1.471 20 0 BDADRP Cc1ncccc1C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000705531719 712132639 /nfs/dbraw/zinc/13/26/39/712132639.db2.gz ZZYSOZOKUOASNU-CHWSQXEVSA-N 2 0 231.343 1.750 20 0 BDADRP Cc1ncccc1C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000705531723 712132779 /nfs/dbraw/zinc/13/27/79/712132779.db2.gz ZZYSOZOKUOASNU-QWHCGFSZSA-N 2 0 231.343 1.750 20 0 BDADRP C[C@H](F)CC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000705760596 712137197 /nfs/dbraw/zinc/13/71/97/712137197.db2.gz HRKUWOSJMJTQTF-GUBZILKMSA-N 2 0 200.301 1.594 20 0 BDADRP C[C@@H]1CCCC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000705913661 712139146 /nfs/dbraw/zinc/13/91/46/712139146.db2.gz SDEAHTUVVFLEDP-ZIAGYGMSSA-N 2 0 240.391 1.565 20 0 BDADRP CO[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000706499053 712147483 /nfs/dbraw/zinc/14/74/83/712147483.db2.gz NTYKRDFNCCTRQQ-IVXLTEJVSA-N 2 0 224.348 1.379 20 0 BDADRP C(C[NH2+]C1CC1)C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000707649615 712176406 /nfs/dbraw/zinc/17/64/06/712176406.db2.gz GDWMUDLHILPISF-ZDUSSCGKSA-N 2 0 224.348 1.241 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1C[NH3+] ZINC000708079474 712181183 /nfs/dbraw/zinc/18/11/83/712181183.db2.gz FNTZBVDBVXLVLR-UTUOFQBUSA-N 2 0 226.364 1.328 20 0 BDADRP CC1(C)CO[C@@H](C[N@@H+]2CCC[C@H](C[NH3+])C2)C1 ZINC000708332144 712188328 /nfs/dbraw/zinc/18/83/28/712188328.db2.gz PMQHDYGCKXYEMX-VXGBXAGGSA-N 2 0 226.364 1.472 20 0 BDADRP CC1(C)CO[C@H](C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000708346401 712190091 /nfs/dbraw/zinc/19/00/91/712190091.db2.gz FFMYFYWEPSDWMN-AVGNSLFASA-N 2 0 238.375 1.485 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)C1 ZINC000708678805 712196130 /nfs/dbraw/zinc/19/61/30/712196130.db2.gz BCGNAHINEUNTIT-VLEAKVRGSA-N 2 0 212.337 1.127 20 0 BDADRP Cc1ccc(OCC[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000708839368 712200697 /nfs/dbraw/zinc/20/06/97/712200697.db2.gz CWDHGJGCJISVIS-ZIAGYGMSSA-N 2 0 248.370 1.900 20 0 BDADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H]1CCCCO1)C2 ZINC000709825566 712228985 /nfs/dbraw/zinc/22/89/85/712228985.db2.gz KCMINBIOHQMMOV-CYDGBPFRSA-N 2 0 224.348 1.367 20 0 BDADRP CC[C@@H](O)C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000709842061 712229362 /nfs/dbraw/zinc/22/93/62/712229362.db2.gz ITWJFTNELQGKPR-LLVKDONJSA-N 2 0 214.353 1.173 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCc2ccns2)C1 ZINC000710029001 712242142 /nfs/dbraw/zinc/24/21/42/712242142.db2.gz ZRSHFBXPEUKKCX-VHSXEESVSA-N 2 0 225.361 1.545 20 0 BDADRP CCC[N@@H+]1CC[C@H](CNc2cc(C)[nH+]c(N)n2)C1 ZINC000710337080 712252264 /nfs/dbraw/zinc/25/22/64/712252264.db2.gz MXEYSMAZWHHERY-LLVKDONJSA-N 2 0 249.362 1.511 20 0 BDADRP C[NH+](C)CC1(O)CC[NH+](C/C=C\Cl)CC1 ZINC000710640876 712264845 /nfs/dbraw/zinc/26/48/45/712264845.db2.gz GGSBAZQGTZBNDK-UTCJRWHESA-N 2 0 232.755 1.127 20 0 BDADRP CC1(C)CC[C@H](C[NH2+]CC2([NH3+])CCC2)OC1 ZINC000711282408 712293295 /nfs/dbraw/zinc/29/32/95/712293295.db2.gz NFXKEWFPNFNONR-LLVKDONJSA-N 2 0 226.364 1.663 20 0 BDADRP FC[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000711446218 712300589 /nfs/dbraw/zinc/30/05/89/712300589.db2.gz WCXUGARCEQDYKP-NWDGAFQWSA-N 2 0 214.328 1.668 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000711465543 712302624 /nfs/dbraw/zinc/30/26/24/712302624.db2.gz BNGFEFBHZGEXEE-CHWSQXEVSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@H]1CCC2(CCC2)O1 ZINC000711469775 712303370 /nfs/dbraw/zinc/30/33/70/712303370.db2.gz OFRYMMYOVLOENJ-JHJVBQTASA-N 2 0 238.375 1.900 20 0 BDADRP C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)OC1CC1 ZINC000711701374 712318126 /nfs/dbraw/zinc/31/81/26/712318126.db2.gz DPNRWXABJGOQTK-UHFFFAOYSA-N 2 0 224.348 1.241 20 0 BDADRP C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)OC1CC1 ZINC000711776128 712327955 /nfs/dbraw/zinc/32/79/55/712327955.db2.gz GKVNPEGDHVLYQL-YPMHNXCESA-N 2 0 224.348 1.239 20 0 BDADRP CCc1onc(C)c1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923479179 712334667 /nfs/dbraw/zinc/33/46/67/712334667.db2.gz NXVUMVQHILULBT-NSHDSACASA-N 2 0 237.347 1.716 20 0 BDADRP CCOCC(C)(C)[NH2+]CC1CC[NH+](C)CC1 ZINC000379130448 712370000 /nfs/dbraw/zinc/37/00/00/712370000.db2.gz UJHIHGCAKOOJJJ-UHFFFAOYSA-N 2 0 228.380 1.733 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+]CC2CC[NH+](C)CC2)CCO1 ZINC000388679716 712373202 /nfs/dbraw/zinc/37/32/02/712373202.db2.gz IKOQEHXIMUISKY-OCCSQVGLSA-N 2 0 240.391 1.733 20 0 BDADRP C[N@@H+]1CC[C@H]1CNc1cc[nH+]c2ccccc12 ZINC000712593868 712435381 /nfs/dbraw/zinc/43/53/81/712435381.db2.gz FLXAKJUEHCWWDZ-NSHDSACASA-N 2 0 227.311 1.773 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000712533997 712442033 /nfs/dbraw/zinc/44/20/33/712442033.db2.gz RSAIQCDVUDJHME-QWHCGFSZSA-N 2 0 238.375 1.759 20 0 BDADRP CC[N@@H+]1CC[C@@H]1CNc1cc[nH+]cc1C ZINC000712565563 712446244 /nfs/dbraw/zinc/44/62/44/712446244.db2.gz QOAZDBKQIUTHPE-LLVKDONJSA-N 2 0 205.305 1.318 20 0 BDADRP CCOCC[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000713176137 712453215 /nfs/dbraw/zinc/45/32/15/712453215.db2.gz NUDZYWBPZIRDQY-UHFFFAOYSA-N 2 0 212.337 1.241 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCC(C)(C)CO2)CC[C@@H]1[NH3+] ZINC000713596604 712466043 /nfs/dbraw/zinc/46/60/43/712466043.db2.gz NALBJVFUQAAKQR-AGIUHOORSA-N 2 0 240.391 1.861 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000714602417 712488369 /nfs/dbraw/zinc/48/83/69/712488369.db2.gz CCAYYUCLEXBHLB-BJDJZHNGSA-N 2 0 224.348 1.271 20 0 BDADRP C[NH+](C)C1(C)CCC([NH2+]C[C@H](O)C2CC2)CC1 ZINC000715252975 712514385 /nfs/dbraw/zinc/51/43/85/712514385.db2.gz HUQZCVPBNMVBJM-MOKVOYLWSA-N 2 0 240.391 1.610 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000715463038 712519794 /nfs/dbraw/zinc/51/97/94/712519794.db2.gz WBTCLDLDVFRXLS-AOOOYVTPSA-N 2 0 218.291 1.702 20 0 BDADRP FC1(F)[C@H]2C[N@H+](C[C@H]3CCCC[NH2+]C3)C[C@H]21 ZINC000715469436 712520443 /nfs/dbraw/zinc/52/04/43/712520443.db2.gz DVJWPNVJGDBZDY-GARJFASQSA-N 2 0 230.302 1.573 20 0 BDADRP C[N@H+](C[C@@H]1CC[C@@H](C2CC2)O1)CC(C)(C)C[NH3+] ZINC000715511594 712524610 /nfs/dbraw/zinc/52/46/10/712524610.db2.gz SLRJWRRBVSBLLX-STQMWFEESA-N 2 0 240.391 1.861 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CC[C@H]1CCCS1 ZINC000715600550 712527801 /nfs/dbraw/zinc/52/78/01/712527801.db2.gz JFYGYNSYXSAXBI-VXGBXAGGSA-N 2 0 246.420 1.616 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCC2(CCC2)CO1)C1C[NH2+]C1 ZINC000716592643 712564481 /nfs/dbraw/zinc/56/44/81/712564481.db2.gz FNIABWZEWHMLMS-YPMHNXCESA-N 2 0 238.375 1.533 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)CC[NH+](C)C ZINC000379844658 712616552 /nfs/dbraw/zinc/61/65/52/712616552.db2.gz HORBBQQQXNBWIY-IJLUTSLNSA-N 2 0 214.353 1.484 20 0 BDADRP COC[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)C1CC1 ZINC000717340350 712649623 /nfs/dbraw/zinc/64/96/23/712649623.db2.gz SBOAPIZYPIXKAA-GHMZBOCLSA-N 2 0 248.317 1.246 20 0 BDADRP CC1(C)CO[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000717601023 712662033 /nfs/dbraw/zinc/66/20/33/712662033.db2.gz PIAGCUFOJBJYLX-HNGCFSAESA-N 2 0 238.375 1.674 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]CC2(CO)CCC2)C12CCC2 ZINC000717639678 712665887 /nfs/dbraw/zinc/66/58/87/712665887.db2.gz FECMZVATDVHOBX-QWRGUYRKSA-N 2 0 224.348 1.009 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CC2(CO)CCC2)C12CCC2 ZINC000717639674 712665936 /nfs/dbraw/zinc/66/59/36/712665936.db2.gz FECMZVATDVHOBX-MNOVXSKESA-N 2 0 224.348 1.009 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H](O)c2ccsc2)C1 ZINC000300400987 712670627 /nfs/dbraw/zinc/67/06/27/712670627.db2.gz HPJUXBDKWVKXMA-UTUOFQBUSA-N 2 0 240.372 1.641 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC=CO2)C1 ZINC000380029656 712683496 /nfs/dbraw/zinc/68/34/96/712683496.db2.gz YEKMNVZRJTYMHW-WOPDTQHZSA-N 2 0 210.321 1.539 20 0 BDADRP C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C[C@H]1CCCOC1 ZINC000717984390 712735227 /nfs/dbraw/zinc/73/52/27/712735227.db2.gz KTHNHDMOEJDSFY-UPJWGTAASA-N 2 0 226.364 1.472 20 0 BDADRP Cc1coc(CN2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000718091206 712742406 /nfs/dbraw/zinc/74/24/06/712742406.db2.gz CRTNJYKSWOVHAG-PHIMTYICSA-N 2 0 206.289 1.239 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+]CCC[NH+](C)C)CC1 ZINC000718731991 712779331 /nfs/dbraw/zinc/77/93/31/712779331.db2.gz HVQIYHMKMNHBLS-CHWSQXEVSA-N 2 0 228.380 1.875 20 0 BDADRP C[NH+](C)C[C@H](NC1CC[NH2+]CC1)c1ccccc1 ZINC000038040680 712801423 /nfs/dbraw/zinc/80/14/23/712801423.db2.gz JPYFIIVDOYACFR-HNNXBMFYSA-N 2 0 247.386 1.631 20 0 BDADRP CSCC1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000719304082 712803911 /nfs/dbraw/zinc/80/39/11/712803911.db2.gz VRVMBYDTZAPIGV-TXEJJXNPSA-N 2 0 228.405 1.799 20 0 BDADRP [NH3+]CC1CC[NH+](CCc2ccns2)CC1 ZINC000719831474 712823903 /nfs/dbraw/zinc/82/39/03/712823903.db2.gz KUUGWQYSYLUDNA-UHFFFAOYSA-N 2 0 225.361 1.356 20 0 BDADRP CCc1cc(N[C@@H]2CC[N@H+](C)[C@@H]2C)cc[nH+]1 ZINC000719772594 712824095 /nfs/dbraw/zinc/82/40/95/712824095.db2.gz BGGUYBUNYGGJHR-ZWNOBZJWSA-N 2 0 219.332 1.570 20 0 BDADRP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c(C)nn1 ZINC000720583920 712854858 /nfs/dbraw/zinc/85/48/58/712854858.db2.gz MZWQFLQKQJIRDJ-NOZJJQNGSA-N 2 0 234.347 1.120 20 0 BDADRP CC1([NH3+])CC[NH+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)CC1 ZINC000720809418 712867003 /nfs/dbraw/zinc/86/70/03/712867003.db2.gz ZNMOOCLTSZVZDI-RWMBFGLXSA-N 2 0 238.375 1.757 20 0 BDADRP COCCC[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720805259 712867382 /nfs/dbraw/zinc/86/73/82/712867382.db2.gz LEXKVJMLDJJZGX-DTWKUNHWSA-N 2 0 240.269 1.092 20 0 BDADRP CC(C)C[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720874201 712873349 /nfs/dbraw/zinc/87/33/49/712873349.db2.gz WSGJTCHDZYFEGV-BDAKNGLRSA-N 2 0 224.270 1.711 20 0 BDADRP O[C@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000720951808 712882125 /nfs/dbraw/zinc/88/21/25/712882125.db2.gz RVWNECYGUIXDCJ-XGFWRYKXSA-N 2 0 238.375 1.268 20 0 BDADRP C[C@H]1C[C@@H]([N@@H+]2CCOC[C@@H](C)C2)CC[NH2+]1 ZINC000399033034 958488277 /nfs/dbraw/zinc/48/82/77/958488277.db2.gz MUZGLSWZSPBXGG-SRVKXCTJSA-N 2 0 212.337 1.095 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+]CCN1CC[C@H](C)C1 ZINC000382393300 958890665 /nfs/dbraw/zinc/89/06/65/958890665.db2.gz NBAHRFFUZAXMKY-YNEHKIRRSA-N 2 0 226.364 1.485 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@]12C[C@H]1CCCC2 ZINC000693628107 959052459 /nfs/dbraw/zinc/05/24/59/959052459.db2.gz GYHLQNSBMAWYAS-RDBSUJKOSA-N 2 0 240.391 1.910 20 0 BDADRP [NH3+]C[C@@H]1CCCC[N@H+](CCCCCO)C1 ZINC000308850326 959525044 /nfs/dbraw/zinc/52/50/44/959525044.db2.gz MOIMCJLHCSKMAM-LBPRGKRZSA-N 2 0 214.353 1.210 20 0 BDADRP CC[C@H](CCO)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925624637 960472355 /nfs/dbraw/zinc/47/23/55/960472355.db2.gz ZGOKABVNFPKLLU-IJLUTSLNSA-N 2 0 228.380 1.643 20 0 BDADRP CC[NH+](CC)C[C@@H](C)OC1CC[NH+](C)CC1 ZINC001222498608 960662638 /nfs/dbraw/zinc/66/26/38/960662638.db2.gz PJGZZCDBYXMCQY-GFCCVEGCSA-N 2 0 228.380 1.828 20 0 BDADRP Cc1cccnc1NC(=[NH2+])NCCCC[NH3+] ZINC001167878644 961442023 /nfs/dbraw/zinc/44/20/23/961442023.db2.gz AOHTVPIJEYQLAF-UHFFFAOYSA-N 2 0 221.308 1.065 20 0 BDADRP CC(C)N(CCC[NH3+])c1cc(N)cc[nH+]1 ZINC001156118288 963264682 /nfs/dbraw/zinc/26/46/82/963264682.db2.gz BHTFOCLNJYXZLE-UHFFFAOYSA-N 2 0 208.309 1.227 20 0 BDADRP Nc1cc[nH+]c(NC[C@@H]2CCCC[NH2+]2)c1 ZINC001160145869 964257143 /nfs/dbraw/zinc/25/71/43/964257143.db2.gz WRNUMMSPJDVEAW-JTQLQIEISA-N 2 0 206.293 1.218 20 0 BDADRP CO[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC001168357493 964519377 /nfs/dbraw/zinc/51/93/77/964519377.db2.gz CFQCDHBAVBOHSR-OKILXGFUSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@H](CC[NH2+][C@H]1CO[C@H](C)C1)[NH+](C)C ZINC000697836528 964555121 /nfs/dbraw/zinc/55/51/21/964555121.db2.gz IXCYCVRJVHHADN-GMTAPVOTSA-N 2 0 200.326 1.094 20 0 BDADRP C(C[NH2+]C1CCCCC1)CN1CCC[NH2+]CC1 ZINC001204655091 967115830 /nfs/dbraw/zinc/11/58/30/967115830.db2.gz OIRGUOXMOQNWQU-UHFFFAOYSA-N 2 0 239.407 1.594 20 0 BDADRP Cc1ccc(CCCN2CCC[NH2+]CC2)o1 ZINC001204655116 967116248 /nfs/dbraw/zinc/11/62/48/967116248.db2.gz SVWRQRVRLKISBM-UHFFFAOYSA-N 2 0 222.332 1.816 20 0 BDADRP CC1(C)OCC(C[NH+]2CCC(C[NH3+])CC2)CO1 ZINC001205026502 967296914 /nfs/dbraw/zinc/29/69/14/967296914.db2.gz RADXZGOWVRZYFK-UHFFFAOYSA-N 2 0 242.363 1.056 20 0 BDADRP C[C@H]1CCNCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001205324910 967529065 /nfs/dbraw/zinc/52/90/65/967529065.db2.gz HUIFHYMINGORPK-STQMWFEESA-N 2 0 225.380 1.060 20 0 BDADRP C[NH+](C)CC(C)(C)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC001207285381 968715241 /nfs/dbraw/zinc/71/52/41/968715241.db2.gz IVBGPINDNKKORM-CYBMUJFWSA-N 2 0 239.407 1.354 20 0 BDADRP CCN1CCC[C@@H]([NH2+]C2CC(CCO)C2)C1 ZINC001207752524 968874992 /nfs/dbraw/zinc/87/49/92/968874992.db2.gz BWGOLYVEMRGRHL-OTTFEQOBSA-N 2 0 226.364 1.221 20 0 BDADRP C[NH+]1CCC(C)(C[N@@H+]2CCC[C@H](O)CC2)CC1 ZINC001208107730 969001245 /nfs/dbraw/zinc/00/12/45/969001245.db2.gz JWJPGCMXRNEXRW-ZDUSSCGKSA-N 2 0 240.391 1.565 20 0 BDADRP C[NH+]1CCC(C)(C[N@@H+]2CC[C@H](F)C2)CC1 ZINC001208107918 969003555 /nfs/dbraw/zinc/00/35/55/969003555.db2.gz NANWUQAJTAOVJM-NSHDSACASA-N 2 0 214.328 1.762 20 0 BDADRP CO[C@H]1C[N@H+](CC2(C)CC[NH+](C)CC2)C[C@@H]1F ZINC001208105673 969004104 /nfs/dbraw/zinc/00/41/04/969004104.db2.gz AWENHSXWQCBEQD-RYUDHWBXSA-N 2 0 244.354 1.387 20 0 BDADRP CC[NH+](CC)C[C@@H](O)C[NH2+][C@@H]1CC[C@@H](F)C1 ZINC001253202550 969107826 /nfs/dbraw/zinc/10/78/26/969107826.db2.gz KAZYSMWEIXXJSP-UTUOFQBUSA-N 2 0 232.343 1.169 20 0 BDADRP CC[NH+](CC)C[C@H](O)C[NH2+]C1(CC2CC2)CC1 ZINC001253214043 969116426 /nfs/dbraw/zinc/11/64/26/969116426.db2.gz NFNVDJXSOVDHGK-CYBMUJFWSA-N 2 0 240.391 1.611 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@@H]2COC)CC1 ZINC001208593513 969147812 /nfs/dbraw/zinc/14/78/12/969147812.db2.gz VHWIESKWOFMXJO-CQSZACIVSA-N 2 0 240.391 1.829 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)CC1 ZINC001208593187 969148728 /nfs/dbraw/zinc/14/87/28/969148728.db2.gz PPCFZLOUWHARMU-CHWSQXEVSA-N 2 0 244.354 1.123 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CC[C@H](N(C)C)C2)CC1 ZINC001208594286 969150297 /nfs/dbraw/zinc/15/02/97/969150297.db2.gz MCXFZKOKMPUGAV-AWEZNQCLSA-N 2 0 239.407 1.354 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CC[C@](C)(O)C2)CC1 ZINC001208593631 969150829 /nfs/dbraw/zinc/15/08/29/969150829.db2.gz YEXZVTRSMLPSRA-ZDUSSCGKSA-N 2 0 226.364 1.175 20 0 BDADRP CC(C)(C)[NH2+]C[C@@H](O)CNC(=[NH2+])C(C)(C)C ZINC001253405886 969159096 /nfs/dbraw/zinc/15/90/96/969159096.db2.gz ULSSBMPWYAIBQW-VIFPVBQESA-N 2 0 229.368 1.348 20 0 BDADRP CCC[N@H+](CCC[NH+](C)C)C[C@H](C)C(=O)OC ZINC001208724045 969206888 /nfs/dbraw/zinc/20/68/88/969206888.db2.gz BUMMSHRJUKDZOI-LBPRGKRZSA-N 2 0 244.379 1.459 20 0 BDADRP C[C@@H]1C[N@H+](Cc2c[nH]cn2)CCC[C@H]1C[NH3+] ZINC001205996056 969295837 /nfs/dbraw/zinc/29/58/37/969295837.db2.gz UIIZMODHSHFHSR-MNOVXSKESA-N 2 0 222.336 1.217 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169078739 969394989 /nfs/dbraw/zinc/39/49/89/969394989.db2.gz FRLKTTRHXSRMBF-BTTYYORXSA-N 3 0 239.407 1.543 20 0 BDADRP COCCCC[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001209219334 969404010 /nfs/dbraw/zinc/40/40/10/969404010.db2.gz IPIRRKNZYPKTOA-CHWSQXEVSA-N 2 0 226.364 1.297 20 0 BDADRP COCCCC[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001209216554 969405149 /nfs/dbraw/zinc/40/51/49/969405149.db2.gz ZKMBCMAUDUTMGS-OLZOCXBDSA-N 2 0 226.364 1.297 20 0 BDADRP CC(C)[C@H](CCO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169107424 969443704 /nfs/dbraw/zinc/44/37/04/969443704.db2.gz GMWZRWSJVLPFRM-CRWXNKLISA-N 2 0 240.391 1.608 20 0 BDADRP CC(C)[C@@H](CCO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169107426 969449429 /nfs/dbraw/zinc/44/94/29/969449429.db2.gz GMWZRWSJVLPFRM-XJFOESAGSA-N 2 0 240.391 1.608 20 0 BDADRP COC(=O)CC[N@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169153574 969471141 /nfs/dbraw/zinc/47/11/41/969471141.db2.gz JVQWKDBBSWHLEJ-GDNZZTSVSA-N 2 0 240.347 1.107 20 0 BDADRP C[C@@H]1C[C@@H]1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001209411095 969477678 /nfs/dbraw/zinc/47/76/78/969477678.db2.gz BCFFMRLBYSCAIF-LPWJVIDDSA-N 2 0 208.349 1.526 20 0 BDADRP CC(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCOC2)[C@H](C)C1 ZINC001254374824 969588508 /nfs/dbraw/zinc/58/85/08/969588508.db2.gz LVDOZFIXYJYSNN-MCIONIFRSA-N 2 0 240.391 1.874 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH+]2CC[C@@](C)(CO)C2)CC1 ZINC001254515976 969685793 /nfs/dbraw/zinc/68/57/93/969685793.db2.gz IADOJILSEQSBCR-CHWSQXEVSA-N 2 0 226.364 1.175 20 0 BDADRP COC1CC[NH+]([C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254516158 969691041 /nfs/dbraw/zinc/69/10/41/969691041.db2.gz JHGZEIWDSAEXGE-GFCCVEGCSA-N 2 0 226.364 1.582 20 0 BDADRP COC[C@H]1CCC[N@@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254517836 969695536 /nfs/dbraw/zinc/69/55/36/969695536.db2.gz ZAJFAUBPJUXLDG-QWHCGFSZSA-N 2 0 226.364 1.582 20 0 BDADRP CCC[NH+]1CCN([C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254524448 969712722 /nfs/dbraw/zinc/71/27/22/969712722.db2.gz BWWMZTLGFJGAIU-AWEZNQCLSA-N 2 0 239.407 1.498 20 0 BDADRP C[C@@H]1CN([C@H]2CCC[NH+](C)CC2)CC[N@@H+]1C ZINC001254527508 969719301 /nfs/dbraw/zinc/71/93/01/969719301.db2.gz YSDPMVDUFYZQEU-OLZOCXBDSA-N 2 0 225.380 1.107 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCSC1)C2 ZINC001255269879 970020484 /nfs/dbraw/zinc/02/04/84/970020484.db2.gz QGQRFBRGNYNFMR-YFKTTZPYSA-N 2 0 226.389 1.707 20 0 BDADRP CC[N@H+]1C[C@@H]2C[NH+]([C@H]3CCSC3)C[C@@H]2C1 ZINC001255296266 970059638 /nfs/dbraw/zinc/05/96/38/970059638.db2.gz RBTPXSNBSMRHDI-TUAOUCFPSA-N 2 0 226.389 1.375 20 0 BDADRP C[C@@H](C[NH2+][C@H]1CCN(C)C1)CC(C)(C)CC[NH3+] ZINC001255422408 970146415 /nfs/dbraw/zinc/14/64/15/970146415.db2.gz XRBBLWLFUUUQIP-OLZOCXBDSA-N 2 0 241.423 1.681 20 0 BDADRP CC[NH+](CC)CCNC(=[NH2+])N[C@H]1CC[C@H](C)C1 ZINC001170125384 970375421 /nfs/dbraw/zinc/37/54/21/970375421.db2.gz LHLXPCXCIXAVLL-RYUDHWBXSA-N 2 0 240.395 1.631 20 0 BDADRP C[C@@H](Cc1ccc(F)cc1)N(CC[NH3+])CCO ZINC001255855805 970523902 /nfs/dbraw/zinc/52/39/02/970523902.db2.gz HIMICTGMMIGZII-NSHDSACASA-N 2 0 240.322 1.010 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+][C@H]1C[C@](C)(O)C1 ZINC001255945333 970575077 /nfs/dbraw/zinc/57/50/77/970575077.db2.gz KLVFQKYWOUOZIF-AVGNSLFASA-N 2 0 228.380 1.610 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N[C@H]1CCC[N@H+](C)C1 ZINC001255944597 970576787 /nfs/dbraw/zinc/57/67/87/970576787.db2.gz WCZOMSHZADHLST-KBPBESRZSA-N 2 0 241.423 1.791 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+][C@H](C)C(C)(C)O ZINC001255950821 970582265 /nfs/dbraw/zinc/58/22/65/970582265.db2.gz CNKKWCBVYMNZNQ-NWDGAFQWSA-N 2 0 230.396 1.856 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N(C)CCC[NH+](C)C ZINC001255954807 970586583 /nfs/dbraw/zinc/58/65/83/970586583.db2.gz IKYBWZKJEJNLPM-CQSZACIVSA-N 2 0 243.439 1.990 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[N@@H+]1[C@@H](C)CC[C@H]1CO ZINC001255956993 970592140 /nfs/dbraw/zinc/59/21/40/970592140.db2.gz NVHRUZJTNGUCAK-MJBXVCDLSA-N 2 0 242.407 1.952 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[N@@H+]1C[C@@H](C)C[C@H]1CO ZINC001255956479 970597717 /nfs/dbraw/zinc/59/77/17/970597717.db2.gz KHZRIUNIVUFSQQ-IHRRRGAJSA-N 2 0 242.407 1.810 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CCOC1)C1CC[NH2+]CC1 ZINC000400631269 970613644 /nfs/dbraw/zinc/61/36/44/970613644.db2.gz GRTHEGSKLYYCQV-NWDGAFQWSA-N 2 0 226.364 1.391 20 0 BDADRP CCO[C@@H]1CCC[N@@H+](C2CCN(C)CC2)C1 ZINC001256207433 970713057 /nfs/dbraw/zinc/71/30/57/970713057.db2.gz JUNKWHZQLVFZBR-CYBMUJFWSA-N 2 0 226.364 1.582 20 0 BDADRP CC[NH+](CC)C1CCC([NH2+][C@@H]2C[C@H]2N)CC1 ZINC001173102611 975021145 /nfs/dbraw/zinc/02/11/45/975021145.db2.gz ASGVSVOKTJSERJ-FIYWTHMPSA-N 2 0 225.380 1.329 20 0 BDADRP C[C@H](C[NH3+])C[N@H+](C)[C@@H]1CCc2ncsc2C1 ZINC001173131944 975041244 /nfs/dbraw/zinc/04/12/44/975041244.db2.gz NRUATEIRGRDQBF-NXEZZACHSA-N 2 0 239.388 1.527 20 0 BDADRP CC[C@@H]1CC[C@H]([NH+]2CCN(CCC[NH3+])CC2)C1 ZINC001173262659 975118000 /nfs/dbraw/zinc/11/80/00/975118000.db2.gz FMLZAQVYVUBLAI-KGLIPLIRSA-N 2 0 239.407 1.532 20 0 BDADRP CCN(CC[NH+]1CCCC1)[C@@H]1CC[N@H+](CC)C1 ZINC001173365995 975342765 /nfs/dbraw/zinc/34/27/65/975342765.db2.gz UIHZHIXBYJVGNI-CQSZACIVSA-N 2 0 239.407 1.498 20 0 BDADRP CCN1CC[C@@H]([NH2+]CC2CC[NH+](CC)CC2)C1 ZINC000328193468 978201300 /nfs/dbraw/zinc/20/13/00/978201300.db2.gz PYPKLTGHZPQANK-CQSZACIVSA-N 2 0 239.407 1.402 20 0 BDADRP CC[C@]1(C(=O)N[C@@H](C[NH3+])CC(C)C)CCC[NH2+]1 ZINC001339851923 978924092 /nfs/dbraw/zinc/92/40/92/978924092.db2.gz CAJCHUYKJQLELB-DGCLKSJQSA-N 2 0 241.379 1.008 20 0 BDADRP CCCCC[NH+]1CCN(C[C@@H](C)[NH3+])CC1 ZINC001235689933 979117412 /nfs/dbraw/zinc/11/74/12/979117412.db2.gz CNLCRQTZVAVNJE-GFCCVEGCSA-N 2 0 213.369 1.141 20 0 BDADRP CC[NH2+]CCN1CCC(C2CC[NH2+]CC2)CC1 ZINC001235702791 979130218 /nfs/dbraw/zinc/13/02/18/979130218.db2.gz NBLHRJYCEUYNBX-UHFFFAOYSA-N 2 0 239.407 1.308 20 0 BDADRP CCOC(C)(C)C[N@@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235976983 979239344 /nfs/dbraw/zinc/23/93/44/979239344.db2.gz DRDNKYHLRAQCBC-ZYHUDNBSSA-N 2 0 212.337 1.225 20 0 BDADRP CC[C@H](C)COC(=O)NCCC[NH2+]CCC[NH3+] ZINC001239325326 980532872 /nfs/dbraw/zinc/53/28/72/980532872.db2.gz IMQSNIBQSHXRGC-NSHDSACASA-N 2 0 245.367 1.087 20 0 BDADRP O[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001580884474 981702678 /nfs/dbraw/zinc/70/26/78/981702678.db2.gz CPKSUZRCJKMAGR-SYLRKERUSA-N 2 0 224.348 1.020 20 0 BDADRP C([C@H]1CCC[NH2+]C1)[N@@H+]1CCC[C@@H]2OCC[C@@H]21 ZINC001350399841 981964293 /nfs/dbraw/zinc/96/42/93/981964293.db2.gz ZMPATRHBACCPAH-AVGNSLFASA-N 2 0 224.348 1.239 20 0 BDADRP CCC[C@H](C)C[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001201552084 983307179 /nfs/dbraw/zinc/30/71/79/983307179.db2.gz JFXAAOWGESIPRI-AWEZNQCLSA-N 2 0 241.423 1.602 20 0 BDADRP CC[C@@H](C)C[N@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001201521613 983319069 /nfs/dbraw/zinc/31/90/69/983319069.db2.gz WBKUUKSZGFZTCD-UPJWGTAASA-N 2 0 210.365 1.916 20 0 BDADRP CC[N@H+]1C[C@H]2CN(CCC(F)(F)F)C[C@H]2C1 ZINC001202368008 983643899 /nfs/dbraw/zinc/64/38/99/983643899.db2.gz ITOKKQXGDQVSBN-AOOOYVTPSA-N 2 0 236.281 1.822 20 0 BDADRP CCOCC[C@H](C)[N@H+](C)C[C@H](C)C[NH3+] ZINC001172416754 974684529 /nfs/dbraw/zinc/68/45/29/974684529.db2.gz PWOIAANSGRBXCB-MNOVXSKESA-N 2 0 202.342 1.328 20 0 BDADRP CC[C@@H](CC(C)C)[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC001172389674 974736865 /nfs/dbraw/zinc/73/68/65/974736865.db2.gz PSHQNAFSUBBKEL-RYUDHWBXSA-N 2 0 214.353 1.471 20 0 BDADRP CC(C)COCC[C@@H](C)[NH2+][C@@H]1C[C@H]1N ZINC001172458650 974823168 /nfs/dbraw/zinc/82/31/68/974823168.db2.gz FVKYSCVYVRNZJT-GMTAPVOTSA-N 2 0 200.326 1.127 20 0 BDADRP CC(C)COCC[C@@H](C)[NH2+]C[C@H](C)C[NH3+] ZINC001172463390 974828235 /nfs/dbraw/zinc/82/82/35/974828235.db2.gz NQGZHEINWXIKAG-VXGBXAGGSA-N 2 0 216.369 1.622 20 0 BDADRP C[C@H]1C[C@H]([N@@H+]2CCC[C@](F)(C[NH3+])CC2)CCO1 ZINC001246554147 972745521 /nfs/dbraw/zinc/74/55/21/972745521.db2.gz BFXKEIXTBAJZEP-YNEHKIRRSA-N 2 0 244.354 1.707 20 0 BDADRP CCCCCC[C@H](C)[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246582474 972940665 /nfs/dbraw/zinc/94/06/65/972940665.db2.gz ZJIWXNJURGZAOU-AVGNSLFASA-N 2 0 228.380 1.597 20 0 BDADRP C[NH2+]CC[C@H](C)N(C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001246596695 973016210 /nfs/dbraw/zinc/01/62/10/973016210.db2.gz VJBRIJRGUUDNOW-KBPBESRZSA-N 2 0 241.423 1.837 20 0 BDADRP CCC[C@H](CO)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC001256561604 970861979 /nfs/dbraw/zinc/86/19/79/970861979.db2.gz AYSMSQSMURTDIO-CYBMUJFWSA-N 2 0 242.407 2.000 20 0 BDADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2O)CC1 ZINC001256562198 970862584 /nfs/dbraw/zinc/86/25/84/970862584.db2.gz ZRGCCDNNTFUYED-OLZOCXBDSA-N 2 0 240.391 1.752 20 0 BDADRP CC[N@H+](CCOC)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256621666 970888419 /nfs/dbraw/zinc/88/84/19/970888419.db2.gz ZQMPWCGYWUCJIZ-FUNVUKJBSA-N 2 0 226.364 1.580 20 0 BDADRP C[C@@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[C@H]1O ZINC001256624335 970890402 /nfs/dbraw/zinc/89/04/02/970890402.db2.gz WZGBSMVVZCKLGF-SYCZCVCYSA-N 2 0 238.375 1.314 20 0 BDADRP C[N@H+]1CC[C@H]2C[NH+](Cc3cnccn3)C[C@H]2CC1 ZINC001276733291 970896630 /nfs/dbraw/zinc/89/66/30/970896630.db2.gz ZZOYHFIGLJUMGJ-BETUJISGSA-N 2 0 246.358 1.250 20 0 BDADRP CO[C@@H](C)C1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001256629709 970895174 /nfs/dbraw/zinc/89/51/74/970895174.db2.gz QDGFDLRHOJEFRJ-RAQOOLMWSA-N 2 0 238.375 1.578 20 0 BDADRP CCC[N@H+](C)C1CCC([NH+]2CCOCC2)CC1 ZINC001256689155 970920154 /nfs/dbraw/zinc/92/01/54/970920154.db2.gz RCAAAUSPIUPRFY-UHFFFAOYSA-N 2 0 240.391 1.972 20 0 BDADRP C[C@@H](Cc1ccncc1)[NH2+]C1CC([NH3+])C1 ZINC001256724378 970943487 /nfs/dbraw/zinc/94/34/87/970943487.db2.gz USFNQBXYTHTDMV-GCVQQVDUSA-N 2 0 205.305 1.092 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)Cc1ccncc1 ZINC001256730957 970952435 /nfs/dbraw/zinc/95/24/35/970952435.db2.gz YPOVQHZYZVYUQV-QWRGUYRKSA-N 2 0 207.321 1.197 20 0 BDADRP O[C@@H]1CC[N@@H+](C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001256855717 970996366 /nfs/dbraw/zinc/99/63/66/970996366.db2.gz TXHFQRTZBWBKND-CQSZACIVSA-N 2 0 247.342 1.117 20 0 BDADRP CCC(=O)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001256853518 970998093 /nfs/dbraw/zinc/99/80/93/970998093.db2.gz ICFAIEWBNUCZRI-UHFFFAOYSA-N 2 0 247.342 1.619 20 0 BDADRP Cc1c2[nH+]c[nH]c2ccc1NCCN(C)CC[NH3+] ZINC001170502488 971005963 /nfs/dbraw/zinc/00/59/63/971005963.db2.gz ZAUUQKPTJFVMAZ-UHFFFAOYSA-N 2 0 247.346 1.174 20 0 BDADRP CCC[NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001130874814 971081081 /nfs/dbraw/zinc/08/10/81/971081081.db2.gz PFZOJSBBZUYNEF-UHFFFAOYSA-N 2 0 246.314 1.064 20 0 BDADRP C[C@H]1CC([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC001257070367 971082881 /nfs/dbraw/zinc/08/28/81/971082881.db2.gz MTLQLNRMAVHJNA-FIQHERPVSA-N 2 0 226.364 1.802 20 0 BDADRP C[C@H]1CC([NH2+][C@@H]2CCC[C@@H]2[NH3+])C[C@H](C)O1 ZINC001257086085 971096906 /nfs/dbraw/zinc/09/69/06/971096906.db2.gz FGBUEJXNNDKFTP-FSZOTQKASA-N 2 0 212.337 1.412 20 0 BDADRP CC[N@@H+]1CC[C@@H](OCCC[NH+]2CCCC2)C1 ZINC001224743604 973905345 /nfs/dbraw/zinc/90/53/45/973905345.db2.gz CQJBSXCGXDQVQO-CYBMUJFWSA-N 2 0 226.364 1.583 20 0 BDADRP CC(C)[NH+]1CCC(Nc2cccnc2C[NH3+])CC1 ZINC001257210416 971127257 /nfs/dbraw/zinc/12/72/57/971127257.db2.gz OYHDUIGLIBCDFJ-UHFFFAOYSA-N 2 0 248.374 1.825 20 0 BDADRP CC(C)[NH+]1CCC(N2CC[N@H+](C)[C@H](C)C2)CC1 ZINC001257217883 971135915 /nfs/dbraw/zinc/13/59/15/971135915.db2.gz PPEJSBZGVDRAMC-CYBMUJFWSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@H](Nc1cc2cc[nH]c2cn1)[C@@H]1C[NH2+]CCO1 ZINC001170559371 971170709 /nfs/dbraw/zinc/17/07/09/971170709.db2.gz WPYMDVWQNHUYNB-CABZTGNLSA-N 2 0 246.314 1.352 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2C[C@H]([NH3+])C23CCC3)CC[N@@H+]1C ZINC000405200765 971207241 /nfs/dbraw/zinc/20/72/41/971207241.db2.gz CPXSMZQDIUPCQD-FVCCEPFGSA-N 2 0 237.391 1.329 20 0 BDADRP COC[C@H]([NH2+][C@H]1C[C@H]([NH3+])C12CCC2)C1CC1 ZINC000405223471 971211881 /nfs/dbraw/zinc/21/18/81/971211881.db2.gz NNGKFJUWCBHAAG-SRVKXCTJSA-N 2 0 224.348 1.271 20 0 BDADRP CO[C@@H]([C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)C1CC1 ZINC000405284911 971225704 /nfs/dbraw/zinc/22/57/04/971225704.db2.gz VMQFKVUBCGFIFF-SYEHKZFSSA-N 2 0 238.375 1.659 20 0 BDADRP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405287055 971227165 /nfs/dbraw/zinc/22/71/65/971227165.db2.gz FHECCEICSZHGIA-QJPTWQEYSA-N 2 0 240.391 1.643 20 0 BDADRP CO[C@@H]([C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)C1CC1 ZINC000405284909 971228974 /nfs/dbraw/zinc/22/89/74/971228974.db2.gz VMQFKVUBCGFIFF-RYDUCSDGSA-N 2 0 238.375 1.659 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CCC2(O)CCC2)C12CCC2 ZINC000405299740 971230018 /nfs/dbraw/zinc/23/00/18/971230018.db2.gz ITVJWORILYGEBO-MNOVXSKESA-N 2 0 224.348 1.151 20 0 BDADRP CSCCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405301613 971231988 /nfs/dbraw/zinc/23/19/88/971231988.db2.gz IUWZKOIQAUYDLV-NXEZZACHSA-N 2 0 214.378 1.599 20 0 BDADRP CSC1(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000405330327 971238462 /nfs/dbraw/zinc/23/84/62/971238462.db2.gz ZEXQVOALNTWPGK-UWVGGRQHSA-N 2 0 226.389 1.742 20 0 BDADRP CCOC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)C(C)C ZINC000405357091 971242878 /nfs/dbraw/zinc/24/28/78/971242878.db2.gz RRKPEUPFJWNKGY-XQQFMLRXSA-N 2 0 240.391 1.907 20 0 BDADRP CC[C@H](COC)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405368054 971244360 /nfs/dbraw/zinc/24/43/60/971244360.db2.gz XMVUSVCQPMEJKK-VWYCJHECSA-N 2 0 212.337 1.271 20 0 BDADRP CCCCCC[C@@H](CC)[NH2+]C[C@H](O)C[NH3+] ZINC001170581609 971251109 /nfs/dbraw/zinc/25/11/09/971251109.db2.gz OONOUBVACZHFDL-VXGBXAGGSA-N 2 0 216.369 1.645 20 0 BDADRP [NH3+]CCCOCCOCCC[NH2+]C1CCCC1 ZINC001257342641 971251393 /nfs/dbraw/zinc/25/13/93/971251393.db2.gz KIHHWPMVPBVXOF-UHFFFAOYSA-N 2 0 244.379 1.291 20 0 BDADRP COC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)C(C)C ZINC000405444207 971253480 /nfs/dbraw/zinc/25/34/80/971253480.db2.gz WDSVYIBCCRMXOU-QJPTWQEYSA-N 2 0 226.364 1.517 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)[C@H]1CCOC1 ZINC000405452848 971258226 /nfs/dbraw/zinc/25/82/26/971258226.db2.gz YCLUMFBYOZMOAX-FIQHERPVSA-N 2 0 224.348 1.271 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)[C@@H](C)O1 ZINC000405445790 971259730 /nfs/dbraw/zinc/25/97/30/971259730.db2.gz WPJBZFWODPRMEK-RMPHRYRLSA-N 2 0 224.348 1.412 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)[C@H]1CCOC1 ZINC000405452850 971259935 /nfs/dbraw/zinc/25/99/35/971259935.db2.gz YCLUMFBYOZMOAX-NNYUYHANSA-N 2 0 224.348 1.271 20 0 BDADRP CC1(C)C[C@@H]1C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405532524 971264966 /nfs/dbraw/zinc/26/49/66/971264966.db2.gz YRSFIORMFREKMA-MXWKQRLJSA-N 2 0 208.349 1.892 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2CCCO2)C12CCC2 ZINC000405506321 971266331 /nfs/dbraw/zinc/26/63/31/971266331.db2.gz RXYURRRVNDAPGO-MXWKQRLJSA-N 2 0 210.321 1.025 20 0 BDADRP C[C@@H]1[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CO[C@H]1C ZINC000405594844 971277763 /nfs/dbraw/zinc/27/77/63/971277763.db2.gz CCTZAGKAWUBIQK-QPEAPYPUSA-N 2 0 238.375 1.625 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@H]1CO[C@@H](C)[C@H]1C ZINC000405590550 971279910 /nfs/dbraw/zinc/27/99/10/971279910.db2.gz AUSYCSAQXQXMDS-FRRDWIJNSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@@H]1OC[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)[C@@H]1C ZINC000405664102 971287931 /nfs/dbraw/zinc/28/79/31/971287931.db2.gz PTRYTEXBEROOGI-AGIUHOORSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@@H]1OC[C@H]([NH2+]CC(C)(C)C[NH+](C)C)[C@@H]1C ZINC000405712792 971294283 /nfs/dbraw/zinc/29/42/83/971294283.db2.gz GUKMMQQBDHDRPY-WOPDTQHZSA-N 2 0 228.380 1.587 20 0 BDADRP C1[NH2+]CC12C[NH2+]C[C@@H]2c1nnc(C2CCCC2)o1 ZINC001217704671 971342883 /nfs/dbraw/zinc/34/28/83/971342883.db2.gz WNZUGWNOZHCWBB-SNVBAGLBSA-N 2 0 248.330 1.004 20 0 BDADRP OCC[NH+]1CCC(C[NH2+]C2CCCCC2)CC1 ZINC001257450999 971370340 /nfs/dbraw/zinc/37/03/40/971370340.db2.gz VEBMKQSRMCRHHD-UHFFFAOYSA-N 2 0 240.391 1.613 20 0 BDADRP C[NH+](C)CCN(CC[NH+](C)C)C1CCCCC1 ZINC001257459345 971383797 /nfs/dbraw/zinc/38/37/97/971383797.db2.gz FWDZXVHOTAGPOR-UHFFFAOYSA-N 2 0 241.423 1.744 20 0 BDADRP C[NH2+][C@H]1C[C@H](OCC[C@H]2CCC[NH2+]C2)C1 ZINC001217765629 971393980 /nfs/dbraw/zinc/39/39/80/971393980.db2.gz ZLHABFSCGFTGMC-IJLUTSLNSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H]1OCc1ccc2c(c1)CC[NH2+]C2 ZINC001217769285 971394872 /nfs/dbraw/zinc/39/48/72/971394872.db2.gz OOGSNRGCXGQRHP-ABAIWWIYSA-N 2 0 246.354 1.457 20 0 BDADRP CC1(CO[C@H]2C[NH2+]CCC[C@@H]2F)CC[NH2+]CC1 ZINC001217774155 971398054 /nfs/dbraw/zinc/39/80/54/971398054.db2.gz NENIONLNMFYYOO-RYUDHWBXSA-N 2 0 244.354 1.483 20 0 BDADRP CC(C)[C@H]([NH3+])CO[C@H]1C[NH2+]CCC[C@@H]1F ZINC001217776556 971400871 /nfs/dbraw/zinc/40/08/71/971400871.db2.gz YDDGBHOSWDJCCL-AXFHLTTASA-N 2 0 218.316 1.076 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1OCCCCC1CC[NH2+]CC1 ZINC001217789234 971406924 /nfs/dbraw/zinc/40/69/24/971406924.db2.gz NXGTYZNWZLIXFG-TZMCWYRMSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1OCc1ccc2c(c1)CC[NH2+]C2 ZINC001217789176 971407450 /nfs/dbraw/zinc/40/74/50/971407450.db2.gz OOGSNRGCXGQRHP-IAQYHMDHSA-N 2 0 246.354 1.457 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1OCC1(C)CC[NH2+]CC1 ZINC001217791957 971410250 /nfs/dbraw/zinc/41/02/50/971410250.db2.gz YXXFJDJJOSPFQR-QWHCGFSZSA-N 2 0 240.391 1.781 20 0 BDADRP C(C[C@@H]1CC[NH2+]C1)OC1[C@@H]2CCC[C@H]1C[NH2+]C2 ZINC001217810769 971416502 /nfs/dbraw/zinc/41/65/02/971416502.db2.gz SCXRQOFRTGZBPE-ICIURTGMSA-N 2 0 238.375 1.391 20 0 BDADRP CO[C@@H]1CC[N@H+](CCOCCCC[NH+](C)C)C1 ZINC001224991021 974123918 /nfs/dbraw/zinc/12/39/18/974123918.db2.gz LOMAFLKBFZTOTG-CYBMUJFWSA-N 2 0 244.379 1.066 20 0 BDADRP CCCCC[C@@H](C)NC1(C[NH3+])COC1 ZINC001257501424 971418489 /nfs/dbraw/zinc/41/84/89/971418489.db2.gz HHGBEKONDZPTPO-SNVBAGLBSA-N 2 0 200.326 1.273 20 0 BDADRP C[N@@H+]1CCC[C@H](OC[C@H]2CCC[NH2+]C2)CC1 ZINC001217832315 971427326 /nfs/dbraw/zinc/42/73/26/971427326.db2.gz NYUGRSFTLOCVEU-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP CCCCC[C@@H](C)NC(=[NH2+])NCCCC[NH3+] ZINC001257501175 971420809 /nfs/dbraw/zinc/42/08/09/971420809.db2.gz AKQBYBZFGGUFLZ-LLVKDONJSA-N 2 0 228.384 1.808 20 0 BDADRP CCCCC[C@H](C)[NH2+][C@@H]1COC[C@H]1N ZINC001257501773 971420890 /nfs/dbraw/zinc/42/08/90/971420890.db2.gz MIQOKTSJHJEIIC-HBNTYKKESA-N 2 0 200.326 1.271 20 0 BDADRP C(O[C@H]1C[NH+]2CCC1CC2)[C@@H]1CCC[NH2+]C1 ZINC001217858810 971451905 /nfs/dbraw/zinc/45/19/05/971451905.db2.gz WFTIPHYQKLDNJI-YPMHNXCESA-N 2 0 224.348 1.097 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](OC[C@H]2CCC[NH2+]C2)C1 ZINC001217865241 971458101 /nfs/dbraw/zinc/45/81/01/971458101.db2.gz IZLZXTVQCCCKAB-QWHCGFSZSA-N 2 0 226.364 1.485 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]1OCCC1CC[NH2+]CC1 ZINC001217878539 971472399 /nfs/dbraw/zinc/47/23/99/971472399.db2.gz KLOBLIVEPIILDW-CYBMUJFWSA-N 2 0 240.391 1.781 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+]([C@H]3CCCSC3)C2)C1 ZINC001257681008 971485189 /nfs/dbraw/zinc/48/51/89/971485189.db2.gz MZGXSWZKNZZMMA-QWHCGFSZSA-N 2 0 240.416 1.910 20 0 BDADRP [NH3+]Cc1ccccc1CO[C@H]1C[NH2+]CCC12CC2 ZINC001217912127 971512126 /nfs/dbraw/zinc/51/21/26/971512126.db2.gz GYEPHBZAKDDXBY-AWEZNQCLSA-N 2 0 246.354 1.804 20 0 BDADRP [NH3+]Cc1ccc(CO[C@H]2[C@@H]3CC[C@H]2[NH2+]C3)cc1 ZINC001217924896 971528712 /nfs/dbraw/zinc/52/87/12/971528712.db2.gz NMQBHZFHHLXKGD-MCIONIFRSA-N 2 0 232.327 1.412 20 0 BDADRP C(CO[C@H]1[C@@H]2CC[C@H]1[NH2+]C2)CC1CC[NH2+]CC1 ZINC001217925762 971530207 /nfs/dbraw/zinc/53/02/07/971530207.db2.gz VSUUABFNDMYXBT-MCIONIFRSA-N 2 0 238.375 1.533 20 0 BDADRP CC(C)C[NH+]1CCC(N2CC([NH+](C)C)C2)CC1 ZINC001258012035 971553607 /nfs/dbraw/zinc/55/36/07/971553607.db2.gz RSTDGLDVAVHXBS-UHFFFAOYSA-N 2 0 239.407 1.353 20 0 BDADRP Cc1c(OC2CC[NH2+]CC2)ccc2c1CC[NH2+]C2 ZINC001217964104 971548672 /nfs/dbraw/zinc/54/86/72/971548672.db2.gz HTGKJCWMICGDCV-UHFFFAOYSA-N 2 0 246.354 1.772 20 0 BDADRP F[C@H]1CC[NH2+]C[C@@H]1Oc1ccc2c(c1)C[NH2+]C2 ZINC001217960544 971549219 /nfs/dbraw/zinc/54/92/19/971549219.db2.gz ROAFIFHHTGEIGH-STQMWFEESA-N 2 0 236.290 1.369 20 0 BDADRP CC(C)C[NH+]1CCC([N@H+](C)CC2COC2)CC1 ZINC001258016126 971558637 /nfs/dbraw/zinc/55/86/37/971558637.db2.gz BBIGZQJUZRDYMQ-UHFFFAOYSA-N 2 0 240.391 1.685 20 0 BDADRP C[C@H](Oc1ccccc1C[NH3+])C1CC[NH2+]CC1 ZINC001218006430 971569496 /nfs/dbraw/zinc/56/94/96/971569496.db2.gz QPHKEPVCTZNDQR-NSHDSACASA-N 2 0 234.343 1.912 20 0 BDADRP Cc1cc2[nH]ccc2c(N2CC[NH2+]C3(CC3)C2)[nH+]1 ZINC001158936663 971589710 /nfs/dbraw/zinc/58/97/10/971589710.db2.gz NJBNAAUDWJCEEH-UHFFFAOYSA-N 2 0 242.326 1.814 20 0 BDADRP [NH3+]Cc1ccccc1O[C@@H]1CC[C@@]12CC[NH2+]C2 ZINC001218117783 971599600 /nfs/dbraw/zinc/59/96/00/971599600.db2.gz MOWXYPLRRKCKCL-KGLIPLIRSA-N 2 0 232.327 1.666 20 0 BDADRP C[NH+](C)Cc1ccc(O[C@H]2CC[NH2+]C2)cc1 ZINC001218176440 971609463 /nfs/dbraw/zinc/60/94/63/971609463.db2.gz CFYCXZUQIOIQNT-ZDUSSCGKSA-N 2 0 220.316 1.489 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]1Oc1cccc(C[NH3+])c1 ZINC001218314698 971702816 /nfs/dbraw/zinc/70/28/16/971702816.db2.gz CCUUYBUJVJHGMW-ZDUSSCGKSA-N 2 0 234.343 1.912 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]1Oc1ccccc1C[NH3+] ZINC001218316905 971704565 /nfs/dbraw/zinc/70/45/65/971704565.db2.gz ZNHXPADUMWKPJD-ZDUSSCGKSA-N 2 0 234.343 1.912 20 0 BDADRP F[C@@H]1CC[NH2+]C[C@@H]1Oc1cccc2c1C[NH2+]C2 ZINC001218322061 971709791 /nfs/dbraw/zinc/70/97/91/971709791.db2.gz FYVXJHZNRVSHPQ-YPMHNXCESA-N 2 0 236.290 1.369 20 0 BDADRP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3C[C@@H]4[C@H](C3)C4(C)C)C[C@@H]2C1 ZINC001170761611 971742322 /nfs/dbraw/zinc/74/23/22/971742322.db2.gz NURVXICRHSTWGG-KYGRNUTJSA-N 2 0 234.387 1.914 20 0 BDADRP C[C@H]1[NH2+]C[C@H]1Oc1ccc2c(c1)CC[NH2+]C2 ZINC001218381350 971758342 /nfs/dbraw/zinc/75/83/42/971758342.db2.gz DONMTMYDGZPXQU-NOZJJQNGSA-N 2 0 218.300 1.071 20 0 BDADRP C[C@H]1CC[C@H](Oc2ccc(C[NH3+])cc2)C[NH2+]1 ZINC001218406934 971779620 /nfs/dbraw/zinc/77/96/20/971779620.db2.gz KKHJXHCSFZQNBR-GWCFXTLKSA-N 2 0 220.316 1.665 20 0 BDADRP [NH3+]Cc1ccc(O[C@@H]2[C@@H]3CC[C@H]2[NH2+]C3)cc1 ZINC001218449035 971822571 /nfs/dbraw/zinc/82/25/71/971822571.db2.gz PSDWVTVFHHIJLH-RAIGVLPGSA-N 2 0 218.300 1.275 20 0 BDADRP c1cc(O[C@@H]2CC[C@@H]3C[NH2+]C[C@H]23)cc2c1C[NH2+]C2 ZINC001218463277 971823314 /nfs/dbraw/zinc/82/33/14/971823314.db2.gz ZUZWBTXGNAFUGO-BYCMXARLSA-N 2 0 244.338 1.667 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1Oc1ccc(C[NH3+])cc1 ZINC001218483666 971830650 /nfs/dbraw/zinc/83/06/50/971830650.db2.gz XSJJAIBHEUKJDB-MFKMUULPSA-N 2 0 220.316 1.522 20 0 BDADRP C[C@H]1CC[C@@H](C[NH3+])N1C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246538279 972532671 /nfs/dbraw/zinc/53/26/71/972532671.db2.gz NFMGHZJNZYDPAU-BJDJZHNGSA-N 2 0 225.380 1.327 20 0 BDADRP [NH3+]Cc1cc(-c2ccncc2C[NH3+])ccn1 ZINC001245557391 971862998 /nfs/dbraw/zinc/86/29/98/971862998.db2.gz HSIFIPDRYDDSRL-UHFFFAOYSA-N 2 0 214.272 1.061 20 0 BDADRP CC1(C[NH+]2CCC(F)(C[NH3+])CC2)CC[NH2+]CC1 ZINC001222528310 972545278 /nfs/dbraw/zinc/54/52/78/972545278.db2.gz VMCKUKUHJNTPHL-UHFFFAOYSA-N 3 0 243.370 1.139 20 0 BDADRP C=Cc1ccc(NC(=O)[C@H]([NH3+])CCC[NH3+])cc1 ZINC001218840866 971952622 /nfs/dbraw/zinc/95/26/22/971952622.db2.gz HHIHODFOXIJAIU-GFCCVEGCSA-N 2 0 233.315 1.334 20 0 BDADRP C[C@]1(C(=O)Nc2cccc3c2C[NH2+]C3)CCC[NH2+]1 ZINC001218992727 971972515 /nfs/dbraw/zinc/97/25/15/971972515.db2.gz CSCZJXCETRWKTF-CQSZACIVSA-N 2 0 245.326 1.370 20 0 BDADRP CC(C)C(C)(C)C[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000310436309 971973289 /nfs/dbraw/zinc/97/32/89/971973289.db2.gz UPSLHCQDTMYBPT-CYBMUJFWSA-N 2 0 242.407 1.713 20 0 BDADRP CC[C@H](C)[C@@H]([NH3+])CC(=O)NCC[NH+](CC)CC ZINC001219555705 972024303 /nfs/dbraw/zinc/02/43/03/972024303.db2.gz OCVDPSLLIDZZRB-RYUDHWBXSA-N 2 0 243.395 1.208 20 0 BDADRP C[C@@H]([NH3+])CCNc1ccc([C@H]2CCC[NH2+]2)cn1 ZINC001170886851 972033950 /nfs/dbraw/zinc/03/39/50/972033950.db2.gz IZNIXVCXFZTBKO-ZYHUDNBSSA-N 2 0 234.347 1.655 20 0 BDADRP C[C@@H]([NH3+])CCNc1ccc([C@H](C)[NH3+])cc1 ZINC001170890864 972041559 /nfs/dbraw/zinc/04/15/59/972041559.db2.gz JALZZABWIMJRBR-ZJUUUORDSA-N 2 0 207.321 1.856 20 0 BDADRP Cc1ccc2cc(N[C@H]([NH3+])CCC[NH3+])ncc2c1 ZINC001170897966 972053751 /nfs/dbraw/zinc/05/37/51/972053751.db2.gz KNFAMSGCNPGONY-ZDUSSCGKSA-N 2 0 244.342 1.979 20 0 BDADRP Cc1cc2nc(C)nc(N[C@@H]([NH3+])CCC[NH3+])c2[nH]1 ZINC001170898312 972056823 /nfs/dbraw/zinc/05/68/23/972056823.db2.gz SNZZESRTUFNPFJ-SNVBAGLBSA-N 2 0 248.334 1.010 20 0 BDADRP Cc1ccnc(N[C@H]([NH3+])CCC[NH3+])c1C ZINC001170898837 972059126 /nfs/dbraw/zinc/05/91/26/972059126.db2.gz PXXFPVJOIAGOGN-JTQLQIEISA-N 2 0 208.309 1.134 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1cccc2ccc(=O)oc21 ZINC001170899026 972061471 /nfs/dbraw/zinc/06/14/71/972061471.db2.gz GXCYACHXDPLYIT-NSHDSACASA-N 2 0 247.298 1.229 20 0 BDADRP Cc1ccc2[nH]ccc2c1N[C@@H]([NH3+])CCC[NH3+] ZINC001170898983 972062261 /nfs/dbraw/zinc/06/22/61/972062261.db2.gz FYWFXCDENKAROT-GFCCVEGCSA-N 2 0 232.331 1.912 20 0 BDADRP Cc1cc2[nH+]ccn2cc1N[C@H]([NH3+])CCC[NH3+] ZINC001170899879 972063053 /nfs/dbraw/zinc/06/30/53/972063053.db2.gz MVPAXPVQXVRJLV-NSHDSACASA-N 3 0 233.319 1.078 20 0 BDADRP Cc1cc2ncccc2cc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170900451 972063710 /nfs/dbraw/zinc/06/37/10/972063710.db2.gz LJGPCVFJJCSKON-CQSZACIVSA-N 2 0 244.342 1.979 20 0 BDADRP CN(C)c1cc(F)cc(N[C@@H]([NH3+])CCC[NH3+])c1 ZINC001170899770 972064863 /nfs/dbraw/zinc/06/48/63/972064863.db2.gz MKRKJRHOJFPOKA-GFCCVEGCSA-N 2 0 240.326 1.327 20 0 BDADRP COc1ccc(N[C@H]([NH3+])CCC[NH3+])c2[nH]ccc21 ZINC001170900217 972064925 /nfs/dbraw/zinc/06/49/25/972064925.db2.gz QKWLILAADKZFLM-LBPRGKRZSA-N 2 0 248.330 1.612 20 0 BDADRP Cc1nc2[nH]ccc2cc1N[C@H]([NH3+])CCC[NH3+] ZINC001170900341 972065532 /nfs/dbraw/zinc/06/55/32/972065532.db2.gz KHKWDPBGAXZKHI-NSHDSACASA-N 2 0 233.319 1.259 20 0 BDADRP Cc1nc2ccccc2nc1N[C@H]([NH3+])CCC[NH3+] ZINC001170899850 972066704 /nfs/dbraw/zinc/06/67/04/972066704.db2.gz GBADXTDCAWFENS-LBPRGKRZSA-N 2 0 245.330 1.374 20 0 BDADRP Cc1cc(N[C@@H]([NH3+])CCC[NH3+])c2nccn2c1 ZINC001170901239 972068175 /nfs/dbraw/zinc/06/81/75/972068175.db2.gz XIUXOPVBLQRXBA-LLVKDONJSA-N 2 0 233.319 1.078 20 0 BDADRP C[C@@H]([NH3+])CCNc1cnccc1/C=C/[NH+](C)C ZINC001170894544 972069196 /nfs/dbraw/zinc/06/91/96/972069196.db2.gz KEGQIGKMRMLDQZ-OALRPVAKSA-N 2 0 234.347 1.763 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1nccc2cccnc21 ZINC001170901017 972069568 /nfs/dbraw/zinc/06/95/68/972069568.db2.gz TWBDGORKRKSUDS-JTQLQIEISA-N 2 0 231.303 1.065 20 0 BDADRP Cc1cc2[nH]ccc2c(N[C@H]([NH3+])CCC[NH3+])[nH+]1 ZINC001159785348 972113027 /nfs/dbraw/zinc/11/30/27/972113027.db2.gz PIUQZKFXBPAHAB-NSHDSACASA-N 3 0 233.319 1.307 20 0 BDADRP Cc1cccc2ccc(N[C@@H]([NH3+])CCC[NH3+])nc12 ZINC001159780301 972109554 /nfs/dbraw/zinc/10/95/54/972109554.db2.gz XBYQQXRVCCKCJT-GFCCVEGCSA-N 2 0 244.342 1.979 20 0 BDADRP Cc1nc(Cl)cc(N[C@@H]([NH3+])CCC[NH3+])c1C ZINC001159784024 972110973 /nfs/dbraw/zinc/11/09/73/972110973.db2.gz GLLHNDVVGBSJQC-LLVKDONJSA-N 2 0 242.754 1.787 20 0 BDADRP Cc1cc2ccccc2nc1N[C@@H]([NH3+])CCC[NH3+] ZINC001159785823 972111998 /nfs/dbraw/zinc/11/19/98/972111998.db2.gz TXTQNOHYLJLXGN-CYBMUJFWSA-N 2 0 244.342 1.979 20 0 BDADRP C[C@H]1C[N@H+](C[C@@](C)(O)c2ccccc2)C[C@H]1C[NH3+] ZINC001246016272 972117193 /nfs/dbraw/zinc/11/71/93/972117193.db2.gz JZCHYSTYLWGYGK-GZBFAFLISA-N 2 0 248.370 1.421 20 0 BDADRP CC[C@@H](O)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001246019522 972120575 /nfs/dbraw/zinc/12/05/75/972120575.db2.gz IPNVNMHRLXJTBK-SDDRHHMPSA-N 2 0 214.353 1.064 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N[C@H]2CC[C@H](C)[NH2+]C2)CC[NH2+]1 ZINC001246075363 972128373 /nfs/dbraw/zinc/12/83/73/972128373.db2.gz FGNGWMXCSQWLBK-XUXIUFHCSA-N 2 0 239.407 1.493 20 0 BDADRP CC1(C)C[C@@H](N[C@H](C[NH3+])c2ccccc2)CC[NH2+]1 ZINC001246074872 972128719 /nfs/dbraw/zinc/12/87/19/972128719.db2.gz GWEFASIASPFKLU-UONOGXRCSA-N 2 0 247.386 1.807 20 0 BDADRP C1C[NH+]2CCC1C[C@@H](N[C@H]1CCCC[NH2+]C1)C2 ZINC001246091928 972145273 /nfs/dbraw/zinc/14/52/73/972145273.db2.gz RAAYMROMBLYENU-UONOGXRCSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](CN[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246095531 972150273 /nfs/dbraw/zinc/15/02/73/972150273.db2.gz BLPFLHFPLATWEM-YHQUGGNUSA-N 2 0 237.391 1.105 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[NH2+]C[C@H]2C)CN1 ZINC001246098747 972152695 /nfs/dbraw/zinc/15/26/95/972152695.db2.gz RYGOXWMRVFATLN-MQYQWHSLSA-N 2 0 239.407 1.352 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[NH2+]C[C@H]2C)CN1 ZINC001246098749 972153197 /nfs/dbraw/zinc/15/31/97/972153197.db2.gz RYGOXWMRVFATLN-SYQHCUMBSA-N 2 0 239.407 1.352 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+][C@H]2C[C@H]3C[C@H]3C2)C[NH2+]1 ZINC001246096455 972153231 /nfs/dbraw/zinc/15/32/31/972153231.db2.gz MQCVRWBFGQHXQQ-KVSVUVNWSA-N 2 0 208.349 1.763 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](C[NH2+]C2Cc3ccccc3C2)C1 ZINC001246098896 972154546 /nfs/dbraw/zinc/15/45/46/972154546.db2.gz KFZPSMVJMYMXMP-STQMWFEESA-N 2 0 244.382 1.989 20 0 BDADRP CC[C@H]1CC(N[C@@H]2CC[NH2+][C@@H]2C)C[C@H](CC)[NH2+]1 ZINC001246100369 972154820 /nfs/dbraw/zinc/15/48/20/972154820.db2.gz CRBYPSXFKIEFFS-OWTLIXCDSA-N 2 0 239.407 1.636 20 0 BDADRP C[C@H]1C[NH2+]C[C@@H](CNC2C[C@@H](C)[NH2+][C@H](C)C2)C1 ZINC001246102861 972160743 /nfs/dbraw/zinc/16/07/43/972160743.db2.gz SPXASISNCLYXKH-LPWJVIDDSA-N 2 0 239.407 1.351 20 0 BDADRP CCCC[C@H]1C[C@@H](NCC(C)(C)[NH3+])CC[NH2+]1 ZINC001246102014 972161456 /nfs/dbraw/zinc/16/14/56/972161456.db2.gz QRLUGRJPVRQSFY-RYUDHWBXSA-N 2 0 227.396 1.624 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](CNC2C[C@H](C)[NH2+][C@@H](C)C2)C1 ZINC001246102880 972161883 /nfs/dbraw/zinc/16/18/83/972161883.db2.gz SPXASISNCLYXKH-ZDEQEGDKSA-N 2 0 239.407 1.351 20 0 BDADRP C[C@H](Cc1cccnc1)[NH2+]C[C@@H]1CCC[NH2+][C@@H]1C ZINC001246105011 972170629 /nfs/dbraw/zinc/17/06/29/972170629.db2.gz AICNNUFFMFSTBL-NFAWXSAZSA-N 2 0 247.386 1.990 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+][C@@H]2C)CCO1 ZINC001246108965 972172923 /nfs/dbraw/zinc/17/29/23/972172923.db2.gz IYKJCQZMVROWDN-FVCCEPFGSA-N 2 0 226.364 1.532 20 0 BDADRP CCCC[C@H]1C[C@@H](NC2CC([NH3+])C2)CC[NH2+]1 ZINC001246116852 972181074 /nfs/dbraw/zinc/18/10/74/972181074.db2.gz XWMUKNBFWORLFU-ZFQMDJOTSA-N 2 0 225.380 1.377 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@H]2CCOC(C)(C)C2)[NH2+]C1 ZINC001246115687 972182035 /nfs/dbraw/zinc/18/20/35/972182035.db2.gz SIEZPHOOOYCFFB-FRRDWIJNSA-N 2 0 240.391 1.922 20 0 BDADRP CC[C@H](C)C[C@H](C)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220240887 972186086 /nfs/dbraw/zinc/18/60/86/972186086.db2.gz QLWWHXMIOWVZQI-SRVKXCTJSA-N 2 0 243.395 1.384 20 0 BDADRP C1CC12C[NH2+]C[C@H]2[NH2+][C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246131370 972188917 /nfs/dbraw/zinc/18/89/17/972188917.db2.gz JNRLLFPVMWIBPQ-BFHYXJOUSA-N 3 0 249.402 1.250 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[C@H]([NH3+])CC2)CN1 ZINC001246165416 972201390 /nfs/dbraw/zinc/20/13/90/972201390.db2.gz QKXGGVHFZVLPLI-LPWJVIDDSA-N 2 0 225.380 1.234 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[C@H]([NH3+])CC2)CN1 ZINC001246165348 972202068 /nfs/dbraw/zinc/20/20/68/972202068.db2.gz QKXGGVHFZVLPLI-FDYHWXHSSA-N 2 0 225.380 1.234 20 0 BDADRP C[C@@H]1C[C@@H](NCC[NH2+]Cc2ccccc2)C[NH2+]1 ZINC001246167641 972203248 /nfs/dbraw/zinc/20/32/48/972203248.db2.gz CRIHHABKZDYYAL-TZMCWYRMSA-N 2 0 233.359 1.116 20 0 BDADRP Cc1cnc(CC[NH3+])n1[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246175962 972205733 /nfs/dbraw/zinc/20/57/33/972205733.db2.gz JNYRJYQYJIGSHG-ONGXEEELSA-N 2 0 222.336 1.006 20 0 BDADRP C[N@@H+]1CCC[C@@H](NC[C@@H]2CCC[NH2+]C2)CC1 ZINC001246197646 972214535 /nfs/dbraw/zinc/21/45/35/972214535.db2.gz BSJZOKCNZVFYPO-CHWSQXEVSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])CC2)CN1 ZINC001246202991 972217292 /nfs/dbraw/zinc/21/72/92/972217292.db2.gz QKXGGVHFZVLPLI-FVCCEPFGSA-N 2 0 225.380 1.234 20 0 BDADRP C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](C[NH3+])CC2)CN1 ZINC001246231977 972238620 /nfs/dbraw/zinc/23/86/20/972238620.db2.gz YNEXSQLLVGUJCN-RVMXOQNASA-N 2 0 225.380 1.234 20 0 BDADRP C1[NH2+]CC12C[C@@H]([NH2+][C@H]1CC[C@@H]3CCC[C@@H]31)CCN2 ZINC001246232586 972238208 /nfs/dbraw/zinc/23/82/08/972238208.db2.gz XTUQDQFXPXOSFY-XUXIUFHCSA-N 2 0 249.402 1.249 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH+]2CC[C@@]3(CCCO3)C2)C1 ZINC001208606129 957094242 /nfs/dbraw/zinc/09/42/42/957094242.db2.gz FHDNNRJBDIHTGE-KBPBESRZSA-N 2 0 238.375 1.583 20 0 BDADRP C[NH2+]CC[C@H](C)NCC[C@H]1CCCC[NH2+]1 ZINC001246243361 972248549 /nfs/dbraw/zinc/24/85/49/972248549.db2.gz IAHBIIZGOFBDTO-NWDGAFQWSA-N 2 0 213.369 1.106 20 0 BDADRP Cc1ncccc1C[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC000705532497 957308052 /nfs/dbraw/zinc/30/80/52/957308052.db2.gz MMDDUCPHUVDBLX-CQSZACIVSA-N 2 0 233.359 1.964 20 0 BDADRP CCOC(C)(C)C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001209077737 957311291 /nfs/dbraw/zinc/31/12/91/957311291.db2.gz PIKIKFBLGNVJHW-UHFFFAOYSA-N 2 0 240.391 1.829 20 0 BDADRP CC1(C)C[C@@H]([N@@H+]2CCCC[C@@H](C[NH3+])C2)CO1 ZINC000396923825 957363390 /nfs/dbraw/zinc/36/33/90/957363390.db2.gz LCXZRHAJJNVGNX-NWDGAFQWSA-N 2 0 226.364 1.615 20 0 BDADRP [NH3+][C@H]1CCC[N@H+](Cc2ccc3c(c2)CCO3)CC1 ZINC000720733710 972261839 /nfs/dbraw/zinc/26/18/39/972261839.db2.gz CFTCCXXAGFCYDP-AWEZNQCLSA-N 2 0 246.354 1.935 20 0 BDADRP C[C@H]([NH3+])CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001246306961 972268494 /nfs/dbraw/zinc/26/84/94/972268494.db2.gz UKJAVVFFRGUHFN-ZDEQEGDKSA-N 2 0 225.380 1.329 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC001246306964 972267769 /nfs/dbraw/zinc/26/77/69/972267769.db2.gz UMUWZTMJSFMAQK-DZGCQCFKSA-N 2 0 247.386 1.588 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CNc3ccccc3C2)CC[NH2+]1 ZINC001246306710 972268769 /nfs/dbraw/zinc/26/87/69/972268769.db2.gz XRWUOOZIBSGTBX-XBFCOCLRSA-N 2 0 245.370 1.753 20 0 BDADRP C[C@@H]([NH3+])CC[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246307302 972269756 /nfs/dbraw/zinc/26/97/56/972269756.db2.gz WHKZPDYAFPXWRS-IYXRBSQSSA-N 3 0 239.407 1.626 20 0 BDADRP Cc1c2[nH+]c[nH]c2ccc1N[C@H]1CC[N@@H+](C)C1 ZINC001167275588 957620589 /nfs/dbraw/zinc/62/05/89/957620589.db2.gz TZSHNJGTGMUMIT-JTQLQIEISA-N 2 0 230.315 1.987 20 0 BDADRP CC[NH2+]CCN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001210196925 957661964 /nfs/dbraw/zinc/66/19/64/957661964.db2.gz RQXUFWRYMHHOOS-CQSZACIVSA-N 2 0 233.359 1.242 20 0 BDADRP C[NH+]1CCC(C[NH2+]C[C@H]2CCOC2(C)C)CC1 ZINC000693101682 957667698 /nfs/dbraw/zinc/66/76/98/957667698.db2.gz DOLCNGIGMJECLE-CYBMUJFWSA-N 2 0 240.391 1.733 20 0 BDADRP CSC1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000300845999 957670078 /nfs/dbraw/zinc/67/00/78/957670078.db2.gz MZGMNLBJUJFAHA-UHFFFAOYSA-N 2 0 228.405 1.956 20 0 BDADRP C[C@H]1C[C@H](N[C@@H]2C[NH2+]CCC2(C)C)CC[NH2+]1 ZINC001246324529 972286497 /nfs/dbraw/zinc/28/64/97/972286497.db2.gz FKGQJTJZFNWDSW-QJPTWQEYSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]([NH3+])CN1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000706582354 958031969 /nfs/dbraw/zinc/03/19/69/958031969.db2.gz JNHLRRMOIACJNI-CYBMUJFWSA-N 2 0 245.370 1.151 20 0 BDADRP CCC[C@@]1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC001246458259 972327215 /nfs/dbraw/zinc/32/72/15/972327215.db2.gz XSBDALMYRTXSOJ-PIGZVRMJSA-N 2 0 237.391 1.391 20 0 BDADRP C[C@@H]1C[C@H](NC[C@]2(CC3CC3)CCC[NH2+]2)C[NH2+]1 ZINC001246463485 972335551 /nfs/dbraw/zinc/33/55/51/972335551.db2.gz VTQHNRGNEXDCAB-KWCYVHTRSA-N 2 0 237.391 1.249 20 0 BDADRP C[N@@H+]1CCC[C@@](C)(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246464971 972338685 /nfs/dbraw/zinc/33/86/85/972338685.db2.gz TWRHNVYREUGXGQ-QNMSZWNNSA-N 2 0 237.391 1.343 20 0 BDADRP CC1(C)C[C@@H](N[C@H]2CCCC[C@H]2[NH3+])CC[NH2+]1 ZINC001246477659 972347743 /nfs/dbraw/zinc/34/77/43/972347743.db2.gz IRIALFUIQONRDK-TUAOUCFPSA-N 2 0 225.380 1.377 20 0 BDADRP C[C@H]1CC[C@H]([NH2+]CCC2CC[NH+](C)CC2)CN1 ZINC000399005457 958483485 /nfs/dbraw/zinc/48/34/85/958483485.db2.gz XMDMTBXMPKCQHN-JSGCOSHPSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C2CC3(C2)CCC[NH2+]C3)CC[NH2+]1 ZINC001246494093 972351379 /nfs/dbraw/zinc/35/13/79/972351379.db2.gz HJNSJLOKCBAMGR-FEPKRQSRSA-N 3 0 237.391 1.249 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C2(C3CC[NH2+]CC3)CC2)CC[NH2+]1 ZINC001246503894 972363203 /nfs/dbraw/zinc/36/32/03/972363203.db2.gz MRRDMKAQJPYEOZ-WCQYABFASA-N 3 0 237.391 1.249 20 0 BDADRP [NH3+]C[C@@H](N[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC001246507308 972366719 /nfs/dbraw/zinc/36/67/19/972366719.db2.gz NCHLPNJBPYFZFU-ZIAGYGMSSA-N 2 0 233.359 1.418 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C1(C)C ZINC000693543484 958736955 /nfs/dbraw/zinc/73/69/55/958736955.db2.gz JKOXNUGYRDOTSC-WRWGMCAJSA-N 2 0 226.364 1.517 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C1(C)C ZINC000693543451 958739102 /nfs/dbraw/zinc/73/91/02/958739102.db2.gz JKOXNUGYRDOTSC-KXNHARMFSA-N 2 0 226.364 1.517 20 0 BDADRP COc1ccc(C[N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000693547838 958758382 /nfs/dbraw/zinc/75/83/82/958758382.db2.gz SURCZOIAASZCRA-BETUJISGSA-N 2 0 234.343 1.864 20 0 BDADRP CCN(CC[NH+](C)C)CC(C)(C)C[NH+](C)C ZINC001207276491 958848415 /nfs/dbraw/zinc/84/84/15/958848415.db2.gz YEYOCHGACNMGOY-UHFFFAOYSA-N 2 0 229.412 1.458 20 0 BDADRP C[C@H]1C[N@H+](CC(C)(C)C[NH+](C)C)CCC[C@H]1O ZINC001207276498 958849193 /nfs/dbraw/zinc/84/91/93/958849193.db2.gz YJMIXRRQYGOVLD-QWHCGFSZSA-N 2 0 242.407 1.667 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@@H]3CCC[C@H]32)C1 ZINC000693566980 958859191 /nfs/dbraw/zinc/85/91/91/958859191.db2.gz FFEZJLLNEHGDRK-WUHRBBMRSA-N 2 0 208.349 1.988 20 0 BDADRP C[NH+](C)CC(C)(C)CN1CC[C@@H](F)C1 ZINC001207278701 958865664 /nfs/dbraw/zinc/86/56/64/958865664.db2.gz BYHIGLXRUQMIDP-SNVBAGLBSA-N 2 0 202.317 1.618 20 0 BDADRP C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C[C@@H]1CCCCO1 ZINC000693580037 958869970 /nfs/dbraw/zinc/86/99/70/958869970.db2.gz SFSZPOGMWHFSEB-TUAOUCFPSA-N 2 0 212.337 1.225 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+]CCOCc2ccccc2)C1 ZINC000693585247 958889176 /nfs/dbraw/zinc/88/91/76/958889176.db2.gz KCWMCWSFQFBYQV-OKILXGFUSA-N 2 0 234.343 1.530 20 0 BDADRP C(CN1CC[C@]12CCC[NH2+]C2)[C@H]1CCCC[NH2+]1 ZINC001222190681 972401811 /nfs/dbraw/zinc/40/18/11/972401811.db2.gz DYRIXKMHXPYXND-KGLIPLIRSA-N 2 0 237.391 1.347 20 0 BDADRP C[C@H]([NH3+])CN1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222160604 972399607 /nfs/dbraw/zinc/39/96/07/972399607.db2.gz GQQSIPDWBLPVHC-UONOGXRCSA-N 2 0 239.407 1.579 20 0 BDADRP C(CN1CC[C@]12CCC[NH2+]C2)[C@H]1CCC[NH2+]C1 ZINC001222192796 972402530 /nfs/dbraw/zinc/40/25/30/972402530.db2.gz YXRKHORIAPDVSY-KGLIPLIRSA-N 2 0 237.391 1.204 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)C(C)(C)CO)C[NH+](C)C ZINC000926473600 959275124 /nfs/dbraw/zinc/27/51/24/959275124.db2.gz MBSNQVGTFFPSKX-MNOVXSKESA-N 2 0 216.369 1.181 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H](C)[C@H]1C ZINC000300356329 959378710 /nfs/dbraw/zinc/37/87/10/959378710.db2.gz KDRXCKFHUDCNPO-LPWJVIDDSA-N 2 0 210.365 1.962 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@H](C)CC[C@H]1C ZINC000300356546 959379049 /nfs/dbraw/zinc/37/90/49/959379049.db2.gz MYLUIQFYIVDTAN-LOWDOPEQSA-N 2 0 210.365 1.962 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]CCOC(F)(F)F)C12CCC2 ZINC000405213137 959414968 /nfs/dbraw/zinc/41/49/68/959414968.db2.gz DQBUPWICOBKETH-JGVFFNPUSA-N 2 0 238.253 1.382 20 0 BDADRP OCCCCC[N@@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222307964 972436399 /nfs/dbraw/zinc/43/63/99/972436399.db2.gz CVNLLSUKCKJKMO-CQSZACIVSA-N 2 0 240.391 1.757 20 0 BDADRP C(CN1CC2(C1)CCC[NH2+]C2)[C@H]1CCC[NH2+]C1 ZINC001222335639 972439087 /nfs/dbraw/zinc/43/90/87/972439087.db2.gz ZUWROEXYLVFCGG-CYBMUJFWSA-N 2 0 237.391 1.062 20 0 BDADRP [NH3+][C@H]1CC[C@H](CO[C@H]2CCCC[NH2+]C2)CC1 ZINC001217773854 959587287 /nfs/dbraw/zinc/58/72/87/959587287.db2.gz RUOISRNPKHAWLN-AVGNSLFASA-N 2 0 226.364 1.663 20 0 BDADRP [NH3+][C@H]1CC[C@H](CO[C@@H]2CCCC[NH2+]C2)CC1 ZINC001217773859 959587620 /nfs/dbraw/zinc/58/76/20/959587620.db2.gz RUOISRNPKHAWLN-JHJVBQTASA-N 2 0 226.364 1.663 20 0 BDADRP CC[C@H](CO)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000309169365 959692300 /nfs/dbraw/zinc/69/23/00/959692300.db2.gz KPIJKLWLHSLYIC-VOMCLLRMSA-N 2 0 214.353 1.220 20 0 BDADRP C([C@@H]1CCC[NH2+]1)N1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385026 972451335 /nfs/dbraw/zinc/45/13/35/972451335.db2.gz CXSWQTZQEMXQHO-UONOGXRCSA-N 2 0 237.391 1.347 20 0 BDADRP C[C@@H]1CC[C@@H](OCC[C@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001217913546 959747692 /nfs/dbraw/zinc/74/76/92/959747692.db2.gz SSUTXCHNPGQPHW-JHJVBQTASA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1OCCCC1CC[NH2+]CC1 ZINC001217916772 959752692 /nfs/dbraw/zinc/75/26/92/959752692.db2.gz LSRLTGTYVQQVKH-OCCSQVGLSA-N 2 0 240.391 1.781 20 0 BDADRP CC[C@]1([NH2+]CC[C@H]2CCC[N@@H+]2C)CCOC1 ZINC000393753665 959896640 /nfs/dbraw/zinc/89/66/40/959896640.db2.gz UVKDXRGBLSUQHL-OLZOCXBDSA-N 2 0 226.364 1.629 20 0 BDADRP C[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)C[C@@]1(C)CO ZINC000694672256 959955600 /nfs/dbraw/zinc/95/56/00/959955600.db2.gz JJOADEWAMZUFSJ-OCCSQVGLSA-N 2 0 240.391 1.279 20 0 BDADRP C[C@H]([NH3+])c1ccc(O[C@@H]2C[NH2+][C@@H]2C)cc1 ZINC001218387494 960035882 /nfs/dbraw/zinc/03/58/82/960035882.db2.gz PMEIYHGCWFXBQN-YGOYTEALSA-N 2 0 206.289 1.445 20 0 BDADRP FC1(F)CC2(C[NH+](CC3CC[NH2+]CC3)C2)C1 ZINC001207436337 960085139 /nfs/dbraw/zinc/08/51/39/960085139.db2.gz FSKTYAQXCDNCFF-UHFFFAOYSA-N 2 0 230.302 1.717 20 0 BDADRP O[C@@]1(CF)CCC[N@H+](CC2CC[NH2+]CC2)CC1 ZINC001207436801 960089842 /nfs/dbraw/zinc/08/98/42/960089842.db2.gz PXYXWNOPQMJQIG-ZDUSSCGKSA-N 2 0 244.354 1.173 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)[C@@]23CC[C@H]2C[NH2+]C3)cc1 ZINC001219345404 960222900 /nfs/dbraw/zinc/22/29/00/960222900.db2.gz MMDMAGNQCILLGL-SMDDNHRTSA-N 2 0 245.326 1.083 20 0 BDADRP C[NH2+]CCNc1ccccc1Cn1cc[nH+]c1N ZINC001167726129 960244926 /nfs/dbraw/zinc/24/49/26/960244926.db2.gz RXGILFDCWWKPNW-UHFFFAOYSA-N 2 0 245.330 1.145 20 0 BDADRP CC[C@@H](CO)[NH2+]CCC[NH+]1CCCCC1 ZINC000695483243 960264866 /nfs/dbraw/zinc/26/48/66/960264866.db2.gz PGAOGABHNQZQCY-LBPRGKRZSA-N 2 0 214.353 1.223 20 0 BDADRP C[N@H+](C[C@H](O)C[NH3+])CC1CCC2(CC2)CC1 ZINC000695583009 960293181 /nfs/dbraw/zinc/29/31/81/960293181.db2.gz NBRRYHBBJUXCDG-GFCCVEGCSA-N 2 0 226.364 1.208 20 0 BDADRP C[C@@H]([NH3+])c1cccc(C(=O)NCCCC[NH3+])c1 ZINC001221346442 960315499 /nfs/dbraw/zinc/31/54/99/960315499.db2.gz FLIXUAVVSDYJOI-SNVBAGLBSA-N 2 0 235.331 1.175 20 0 BDADRP C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2CO)CC1 ZINC001207479936 960356835 /nfs/dbraw/zinc/35/68/35/960356835.db2.gz PYBZHAVQDDLNRV-CQSZACIVSA-N 2 0 240.391 1.565 20 0 BDADRP CC(C)[NH+](CCN[C@H]1CC[NH2+][C@H](C)C1)C(C)C ZINC000709357185 960531071 /nfs/dbraw/zinc/53/10/71/960531071.db2.gz VCHLZCFRVHTXPS-KGLIPLIRSA-N 2 0 241.423 1.835 20 0 BDADRP C[C@@H]1CC[N@H+](CC2CC[NH+](C)CC2)C[C@H]1O ZINC000709406948 960581047 /nfs/dbraw/zinc/58/10/47/960581047.db2.gz NOSXYCJBSKBCAQ-DGCLKSJQSA-N 2 0 226.364 1.031 20 0 BDADRP C[N@@H+]1CCC[C@H]1CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709466107 960612332 /nfs/dbraw/zinc/61/23/32/960612332.db2.gz XTFIMOMNUIUWLR-PIGZVRMJSA-N 2 0 237.391 1.343 20 0 BDADRP CCN(Cc1nccnc1C)C1CC[NH+](C)CC1 ZINC001140937379 960723430 /nfs/dbraw/zinc/72/34/30/960723430.db2.gz BWTUGVVLVHYMGJ-UHFFFAOYSA-N 2 0 248.374 1.701 20 0 BDADRP [NH3+][C@@H]1C[C@H]2COC[C@@H](C1)[C@H]2[NH2+]CC1CC=CC1 ZINC000925721768 960794324 /nfs/dbraw/zinc/79/43/24/960794324.db2.gz FTARLZQNGRMHHV-LVEBTZEWSA-N 2 0 236.359 1.295 20 0 BDADRP Cc1ncoc1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206624370 960831677 /nfs/dbraw/zinc/83/16/77/960831677.db2.gz VGEJIPBVVQLCCQ-LLVKDONJSA-N 2 0 223.320 1.544 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC12COC2 ZINC001167826074 961162215 /nfs/dbraw/zinc/16/22/15/961162215.db2.gz MFZOQQCRFCEDCT-ZDUSSCGKSA-N 2 0 240.391 1.972 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CC2(CCO2)C1 ZINC001167838792 961221518 /nfs/dbraw/zinc/22/15/18/961221518.db2.gz WQWUZTULWOXZPJ-CYBMUJFWSA-N 2 0 240.391 1.972 20 0 BDADRP C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1cc2c[nH+]ccc2[nH]1 ZINC001276404573 961242021 /nfs/dbraw/zinc/24/20/21/961242021.db2.gz QAUQFCXRTCGRHR-BETUJISGSA-N 2 0 242.326 1.451 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2(C)CCOCC2)CC[NH2+]1 ZINC000709372520 961242834 /nfs/dbraw/zinc/24/28/34/961242834.db2.gz CRCXDPRLUOEUEH-VXGBXAGGSA-N 2 0 226.364 1.533 20 0 BDADRP [NH2+]=CNc1ccc2c([C@H]3CCC[NH2+]3)nnn2c1 ZINC001167864276 961332106 /nfs/dbraw/zinc/33/21/06/961332106.db2.gz DYRBHDMSWUSWAB-SECBINFHSA-N 2 0 230.275 1.173 20 0 BDADRP Cc1ccc(NC(=[NH2+])NCCCC[NH3+])c(F)n1 ZINC001167878582 961441708 /nfs/dbraw/zinc/44/17/08/961441708.db2.gz MYVNRFQKQPVVDK-UHFFFAOYSA-N 2 0 239.298 1.204 20 0 BDADRP [NH2+]=C(NCCCC[NH3+])Nc1ccc(CF)cc1 ZINC001167879124 961452070 /nfs/dbraw/zinc/45/20/70/961452070.db2.gz SMMWXYOPCFIAKW-UHFFFAOYSA-N 2 0 238.310 1.831 20 0 BDADRP [NH2+]=C(Nc1ccccc1CC[NH3+])SCC[NH3+] ZINC001167911965 961820842 /nfs/dbraw/zinc/82/08/42/961820842.db2.gz HUVLYYIYYGSRSI-UHFFFAOYSA-N 3 0 238.360 1.226 20 0 BDADRP CCC[NH+]1CCC(C[NH2+][C@@H]2COC[C@@H]2C)CC1 ZINC000924953835 962612839 /nfs/dbraw/zinc/61/28/39/962612839.db2.gz DRQKTWMZGRHAMV-GXTWGEPZSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1COC[C@@H]1[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000688022751 962794063 /nfs/dbraw/zinc/79/40/63/962794063.db2.gz GFACLUDVTMQHOG-KGLIPLIRSA-N 2 0 240.391 1.733 20 0 BDADRP CN(C)c1cccc(N[C@@H]2CCC[C@H]([NH3+])C2)[nH+]1 ZINC001154976954 962928940 /nfs/dbraw/zinc/92/89/40/962928940.db2.gz LWNBDXVLZPVYNJ-WDEREUQCSA-N 2 0 234.347 1.829 20 0 BDADRP Cc1nc(N(C)C)cc(NC[C@H]2C[NH2+][C@H](C)C2)[nH+]1 ZINC001155095992 962973691 /nfs/dbraw/zinc/97/36/91/962973691.db2.gz WHIZDVZILLGBOM-MWLCHTKSSA-N 2 0 249.362 1.261 20 0 BDADRP [NH3+][C@@H]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167964471 962993080 /nfs/dbraw/zinc/99/30/80/962993080.db2.gz QSEHRYSSSONYCZ-JKXDFHQYSA-N 2 0 249.402 1.425 20 0 BDADRP C[NH+]1CCC(CC[NH2+]Cc2cnsc2)CC1 ZINC000712882634 963001982 /nfs/dbraw/zinc/00/19/82/963001982.db2.gz IYFCUSGBLDVIIL-UHFFFAOYSA-N 2 0 239.388 1.965 20 0 BDADRP C[C@H]1[NH2+]CC[C@H]1Nc1cc(C[NH+](C)C)ccn1 ZINC001155188600 963018286 /nfs/dbraw/zinc/01/82/86/963018286.db2.gz PXVPTJXGTSQORK-ZYHUDNBSSA-N 2 0 234.347 1.306 20 0 BDADRP Nc1cc[nH+]c(N2C[C@H]([NH3+])Cc3ccccc32)c1 ZINC001155298745 963047153 /nfs/dbraw/zinc/04/71/53/963047153.db2.gz XCXINNVTYGXVLC-GFCCVEGCSA-N 2 0 240.310 1.685 20 0 BDADRP Cc1[nH+]c(N[C@@H]2COC[C@@H]2[NH3+])cc2[nH]ccc21 ZINC001155353769 963057961 /nfs/dbraw/zinc/05/79/61/963057961.db2.gz RPVWXDQEPCEQAN-GXSJLCMTSA-N 2 0 232.287 1.009 20 0 BDADRP Cc1c[nH+]c(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)cc1N ZINC001155588348 963119416 /nfs/dbraw/zinc/11/94/16/963119416.db2.gz WFYYQNNTDFMOQE-SCVCMEIPSA-N 2 0 232.331 1.382 20 0 BDADRP CC(C)(C)C[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC000713252838 963158232 /nfs/dbraw/zinc/15/82/32/963158232.db2.gz WSQYLUIYRRCZRP-SECBINFHSA-N 2 0 220.307 1.948 20 0 BDADRP C[C@@H](C[NH+](C)C)Nc1cc(C[NH+](C)C)ccn1 ZINC001155922454 963205473 /nfs/dbraw/zinc/20/54/73/963205473.db2.gz WJRSKOKFZJXHBQ-NSHDSACASA-N 2 0 236.363 1.505 20 0 BDADRP Cc1c[nH+]c(N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)cc1N ZINC001156394768 963331032 /nfs/dbraw/zinc/33/10/32/963331032.db2.gz GGCWXWWXGIAPCA-BXUZGUMPSA-N 2 0 246.358 1.360 20 0 BDADRP C[N@@H+]1CC[C@H](Nc2cc(-n3ccnc3)cc[nH+]2)C1 ZINC001156581605 963393128 /nfs/dbraw/zinc/39/31/28/963393128.db2.gz WGCBIAAQHWSKQQ-NSHDSACASA-N 2 0 243.314 1.383 20 0 BDADRP Cc1cc2[nH]ccc2c(N2CC[NH2+][C@H](C)C2)[nH+]1 ZINC001156692170 963437951 /nfs/dbraw/zinc/43/79/51/963437951.db2.gz LXDCVHUFLNRPLG-SNVBAGLBSA-N 2 0 230.315 1.669 20 0 BDADRP C[C@H](CO)[C@H]1CCCC[N@@H+]1CCC[NH2+]C1CC1 ZINC000696779265 963479088 /nfs/dbraw/zinc/47/90/88/963479088.db2.gz QNLWDIHYIAYIIJ-TZMCWYRMSA-N 2 0 240.391 1.611 20 0 BDADRP CN(c1cc(N)cc[nH+]1)[C@@]1(C)CCC[NH2+]C1 ZINC001156948152 963500049 /nfs/dbraw/zinc/50/00/49/963500049.db2.gz PPZSNWVGNDNLAI-LBPRGKRZSA-N 2 0 220.320 1.242 20 0 BDADRP Cc1c[nH+]c(N(C)[C@@]2(C)CCC[NH2+]C2)cc1N ZINC001156967537 963503023 /nfs/dbraw/zinc/50/30/23/963503023.db2.gz BAEQMSOCWVDHHC-ZDUSSCGKSA-N 2 0 234.347 1.551 20 0 BDADRP COCC1CC[NH+](C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000697084249 963709876 /nfs/dbraw/zinc/70/98/76/963709876.db2.gz KDEQIVRLIDEOLL-CQSZACIVSA-N 2 0 240.391 1.735 20 0 BDADRP CN(C)c1cc[nH+]c(N2CC[C@@](F)(C[NH3+])C2)c1 ZINC001157812637 963732904 /nfs/dbraw/zinc/73/29/04/963732904.db2.gz DMXFSRLQIHUEHR-GFCCVEGCSA-N 2 0 238.310 1.025 20 0 BDADRP C[C@H]1CN(c2cc(C[NH+](C)C)ccn2)C[C@H](C)[NH2+]1 ZINC001158187333 963822926 /nfs/dbraw/zinc/82/29/26/963822926.db2.gz YVCPKUBPSLVDHU-RYUDHWBXSA-N 2 0 248.374 1.330 20 0 BDADRP CC[N@H+](C)C1CC[NH+]([C@@H]2CCO[C@@H](C)C2)CC1 ZINC001168141801 963847635 /nfs/dbraw/zinc/84/76/35/963847635.db2.gz JZUVISBUAOHDIO-GXTWGEPZSA-N 2 0 240.391 1.970 20 0 BDADRP CC[N@@H+]1CCN(c2cc(N)c(C)c[nH+]2)C(C)(C)C1 ZINC001158561599 963887402 /nfs/dbraw/zinc/88/74/02/963887402.db2.gz HPKNYBNPRWYOSU-UHFFFAOYSA-N 2 0 248.374 1.893 20 0 BDADRP c1c(NC2=C[NH2+]CCC2)onc1[C@@H]1CCC[NH2+]1 ZINC001159308726 964057710 /nfs/dbraw/zinc/05/77/10/964057710.db2.gz MGDZEVRHCYXLIR-JTQLQIEISA-N 2 0 234.303 1.736 20 0 BDADRP c1cc2c(c(NC3=CCC[NH2+]C3)c1)CC[NH2+]C2 ZINC001159548107 964120934 /nfs/dbraw/zinc/12/09/34/964120934.db2.gz VPQGLXPRAXKCFI-UHFFFAOYSA-N 2 0 229.327 1.621 20 0 BDADRP [NH3+]CCOc1ccc(NC2=CCC[NH2+]CC2)cc1 ZINC001159686949 964155288 /nfs/dbraw/zinc/15/52/88/964155288.db2.gz QJXCQWVVOFTXGR-UHFFFAOYSA-N 2 0 247.342 1.703 20 0 BDADRP Cc1cnc(NCC[C@@H](C)[NH3+])nc1NC(C)C ZINC001159772779 964187272 /nfs/dbraw/zinc/18/72/72/964187272.db2.gz PPOVDXUQNLAGDW-SNVBAGLBSA-N 2 0 237.351 1.755 20 0 BDADRP COc1cnc(NCC[C@@H](C)[NH3+])c(C)c1 ZINC001159773060 964188412 /nfs/dbraw/zinc/18/84/12/964188412.db2.gz TWZKBKOOCXOXQV-SECBINFHSA-N 2 0 209.293 1.548 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1nccc2ccsc21 ZINC001159783983 964193774 /nfs/dbraw/zinc/19/37/74/964193774.db2.gz FYXNWLZRORQHMC-VIFPVBQESA-N 2 0 236.344 1.732 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc2ncccc2n1 ZINC001159784877 964194339 /nfs/dbraw/zinc/19/43/39/964194339.db2.gz LNGOMNAQSSBNAQ-LLVKDONJSA-N 2 0 231.303 1.065 20 0 BDADRP Cc1nc(Cl)nc(N[C@H]([NH3+])CCC[NH3+])c1C ZINC001159780330 964195778 /nfs/dbraw/zinc/19/57/78/964195778.db2.gz XVKCGOKCJTTYSS-QMMMGPOBSA-N 2 0 243.742 1.182 20 0 BDADRP CC[NH2+]CC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001482890094 964233576 /nfs/dbraw/zinc/23/35/76/964233576.db2.gz VNGFDYSQASZZFZ-RYUDHWBXSA-N 2 0 243.395 1.077 20 0 BDADRP C[NH+](C)C1CCC([NH2+]C(C)(C)CN)CC1 ZINC001168295213 964386984 /nfs/dbraw/zinc/38/69/84/964386984.db2.gz WNANQIZKJLXQJJ-UHFFFAOYSA-N 2 0 213.369 1.186 20 0 BDADRP C[NH+](C)C1CCC([NH2+]C2CC3(COC3)C2)CC1 ZINC001168297754 964394625 /nfs/dbraw/zinc/39/46/25/964394625.db2.gz JGESQSVBJWEAEG-UHFFFAOYSA-N 2 0 238.375 1.628 20 0 BDADRP C[NH+](C)C1CCC([NH2+]CCc2ccncn2)CC1 ZINC001168314293 964418355 /nfs/dbraw/zinc/41/83/55/964418355.db2.gz CAAYSELCSKXGRF-UHFFFAOYSA-N 2 0 248.374 1.482 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2CCCC[C@@H]2CO)CC1 ZINC001168314301 964421162 /nfs/dbraw/zinc/42/11/62/964421162.db2.gz CLZBGJBLPCYPPO-JXQTWKCFSA-N 2 0 240.391 1.706 20 0 BDADRP C[C@@H]1COCC[N@@H+]1C1CCC([NH+](C)C)CC1 ZINC001168315485 964424429 /nfs/dbraw/zinc/42/44/29/964424429.db2.gz WEFHVSSWVAWRCL-PNESKVBLSA-N 2 0 226.364 1.580 20 0 BDADRP CO[C@@H]1CC[N@@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168315555 964426894 /nfs/dbraw/zinc/42/68/94/964426894.db2.gz YRCRXEOAWQYLCF-WXRRBKDZSA-N 2 0 226.364 1.580 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2CCCOCC2)CC1 ZINC001168315904 964431263 /nfs/dbraw/zinc/43/12/63/964431263.db2.gz QITDGBGWBAZHEN-UHFFFAOYSA-N 2 0 226.364 1.582 20 0 BDADRP Cc1nnc(C[NH3+])n1C1CCC([NH+](C)C)CC1 ZINC001168315939 964433996 /nfs/dbraw/zinc/43/39/96/964433996.db2.gz RSZQIEDEGPGASM-UHFFFAOYSA-N 2 0 237.351 1.091 20 0 BDADRP CC(C)OC1C[NH+](C2CCC([NH+](C)C)CC2)C1 ZINC001168328814 964460016 /nfs/dbraw/zinc/46/00/16/964460016.db2.gz KRTXFBLTQCKXKS-UHFFFAOYSA-N 2 0 240.391 1.968 20 0 BDADRP CO[C@@H](C)C1C[NH+](C2CCC([NH+](C)C)CC2)C1 ZINC001168328526 964461093 /nfs/dbraw/zinc/46/10/93/964461093.db2.gz JARLUYZFNZVPJF-XGNXJENSSA-N 2 0 240.391 1.826 20 0 BDADRP C[NH+](C)C1CCC([N@H+](C)[C@@H]2CCCOC2)CC1 ZINC001168330199 964465468 /nfs/dbraw/zinc/46/54/68/964465468.db2.gz NEXMNAKVXURTKV-JXQTWKCFSA-N 2 0 240.391 1.970 20 0 BDADRP C[C@@H]([NH3+])c1cccc(C(=O)N2CC[NH2+][C@H](C)C2)c1 ZINC001161023212 964485427 /nfs/dbraw/zinc/48/54/27/964485427.db2.gz CDMLSKMBUBKCHP-GHMZBOCLSA-N 2 0 247.342 1.140 20 0 BDADRP [NH3+]Cc1cnn(C2CC[NH+](CC3CC3)CC2)c1 ZINC001168358907 964542505 /nfs/dbraw/zinc/54/25/05/964542505.db2.gz XHKHZZSXLFWAKN-UHFFFAOYSA-N 2 0 234.347 1.389 20 0 BDADRP C[C@@H](CC[NH2+]C1CCSCC1)[NH+](C)C ZINC000697873838 964600592 /nfs/dbraw/zinc/60/05/92/964600592.db2.gz WRHKCVVSSUSHNL-JTQLQIEISA-N 2 0 216.394 1.812 20 0 BDADRP CCCCC[C@H]([NH2+]C)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC001161530276 964622298 /nfs/dbraw/zinc/62/22/98/964622298.db2.gz UKGPWGYBKTTZMP-WOPDTQHZSA-N 2 0 241.379 1.103 20 0 BDADRP C[NH+](C)CCNc1ccccc1C(C)(C)[NH3+] ZINC001161672735 964676672 /nfs/dbraw/zinc/67/66/72/964676672.db2.gz DTSPBIWXNXNXEH-UHFFFAOYSA-N 2 0 221.348 1.854 20 0 BDADRP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCOC1 ZINC000159803407 964782655 /nfs/dbraw/zinc/78/26/55/964782655.db2.gz FOMNXUJDLOODIA-WTUNAVPPSA-N 2 0 238.375 1.628 20 0 BDADRP CC[NH+]1CCC([NH2+]CC2CSC2)CC1 ZINC000697968441 964804388 /nfs/dbraw/zinc/80/43/88/964804388.db2.gz OWWDNYOJEGHWLN-UHFFFAOYSA-N 2 0 214.378 1.423 20 0 BDADRP C[C@@H](CC[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)[NH+](C)C ZINC000697994661 964853920 /nfs/dbraw/zinc/85/39/20/964853920.db2.gz XWUABLCKHUDNIB-RVMXOQNASA-N 2 0 210.365 1.962 20 0 BDADRP [NH3+]Cc1cn(-c2ccc(C3([NH3+])CC3)cc2)cn1 ZINC001162301986 964917472 /nfs/dbraw/zinc/91/74/72/964917472.db2.gz GUZDKMOBJUQDCC-UHFFFAOYSA-N 2 0 228.299 1.279 20 0 BDADRP C[C@@]1([NH3+])C[C@H](Nc2ccc3c(n2)CC[NH2+]C3)C1 ZINC001162324845 964930888 /nfs/dbraw/zinc/93/08/88/964930888.db2.gz IYBRQPUTSNOPPA-GSJFWJNXSA-N 2 0 232.331 1.019 20 0 BDADRP O[C@H]1CCC[N@@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168371467 964939704 /nfs/dbraw/zinc/93/97/04/964939704.db2.gz MDPDCNFDQBFEBT-AWEZNQCLSA-N 2 0 238.375 1.318 20 0 BDADRP Cc1ccc(N[C@H]2CCC[C@H]([NH3+])C2)[nH+]c1N ZINC001162395116 964955949 /nfs/dbraw/zinc/95/59/49/964955949.db2.gz SNCUIJFOSAEDFA-UWVGGRQHSA-N 2 0 220.320 1.654 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC001162394815 964956029 /nfs/dbraw/zinc/95/60/29/964956029.db2.gz AIMCQZHXJZZEMZ-OLZOCXBDSA-N 2 0 231.343 1.972 20 0 BDADRP CN(C)c1ccc(N[C@H]2CCC[C@H]([NH3+])C2)nc1 ZINC001162402282 964958816 /nfs/dbraw/zinc/95/88/16/964958816.db2.gz QBOLCSAPHKKOMG-QWRGUYRKSA-N 2 0 234.347 1.829 20 0 BDADRP Cn1ccc2c1[nH+]ccc2NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001162481105 964993941 /nfs/dbraw/zinc/99/39/41/964993941.db2.gz ICNFRPAPCGBXAT-UWVGGRQHSA-N 2 0 248.305 1.685 20 0 BDADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C)C1 ZINC001224921927 965090500 /nfs/dbraw/zinc/09/05/00/965090500.db2.gz BKYDHJUNGBUZCO-NSHDSACASA-N 2 0 200.326 1.049 20 0 BDADRP COC[C@@H]1CCN1C1CC[NH+](CC2CC2)CC1 ZINC001168395206 965143296 /nfs/dbraw/zinc/14/32/96/965143296.db2.gz QGDLQMUQBBVBRV-AWEZNQCLSA-N 2 0 238.375 1.582 20 0 BDADRP C/C(=C\C=C\N)[NH2+]Cc1ccc2c(c1)CC[NH2+]C2 ZINC001162809949 965192450 /nfs/dbraw/zinc/19/24/50/965192450.db2.gz MRTMOAMNWLMGLL-GUTWREQSSA-N 2 0 243.354 1.798 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC[C@@]23C[NH2+][C@@H](CO2)C3)cc1 ZINC001163202537 965298877 /nfs/dbraw/zinc/29/88/77/965298877.db2.gz JPOMQHDZPPAGBJ-GDLCADMTSA-N 2 0 247.342 1.249 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@H]1CCc2cc(F)ccc2C1 ZINC001168414300 965320851 /nfs/dbraw/zinc/32/08/51/965320851.db2.gz DOBFOGKIKFJUOT-YGRLFVJLSA-N 2 0 236.334 1.867 20 0 BDADRP c1cc2c[nH+]cc(N[C@H]3CC[C@@H]4C[NH2+]C[C@@H]43)c2[nH]1 ZINC001163262999 965321848 /nfs/dbraw/zinc/32/18/48/965321848.db2.gz UFGGPFJAVWRBHC-USWWRNFRSA-N 2 0 242.326 1.973 20 0 BDADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1Nc1cc[nH+]c(CO)c1 ZINC001120824095 965421809 /nfs/dbraw/zinc/42/18/09/965421809.db2.gz IIOUPTMJJBHOHP-IINYFYTJSA-N 2 0 247.342 1.469 20 0 BDADRP Cc1cc(C[NH3+])nn1-c1ccccc1C(C)(C)[NH3+] ZINC001163986092 965677309 /nfs/dbraw/zinc/67/73/09/965677309.db2.gz RZLBOQXIFJKFFF-UHFFFAOYSA-N 2 0 244.342 1.833 20 0 BDADRP Cn1cccc1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205093799 965720056 /nfs/dbraw/zinc/72/00/56/965720056.db2.gz GFUXGTFWPDVWJI-NSHDSACASA-N 2 0 207.321 1.338 20 0 BDADRP CCC(=O)C(C)(C)C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205095033 965733678 /nfs/dbraw/zinc/73/36/78/965733678.db2.gz SXVLLKYKSVRPAH-NSHDSACASA-N 2 0 226.364 1.805 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205095029 965734934 /nfs/dbraw/zinc/73/49/34/965734934.db2.gz SXRVMYWSABDGPY-GFCCVEGCSA-N 3 0 213.369 1.319 20 0 BDADRP C[C@@H](Cc1cccc(F)c1)[NH2+]C1CC([NH3+])C1 ZINC001168465567 965807152 /nfs/dbraw/zinc/80/71/52/965807152.db2.gz UATYQAYCRKMZRT-ALXWSUNGSA-N 2 0 222.307 1.836 20 0 BDADRP C[C@@]1(C[NH3+])CCCN(c2cccc(N)[nH+]2)CC1 ZINC001164242705 965808123 /nfs/dbraw/zinc/80/81/23/965808123.db2.gz OSNDBVQCKDSAAE-CYBMUJFWSA-N 2 0 234.347 1.619 20 0 BDADRP C[C@]1(C[NH3+])CCCN(c2cc(N)ncn2)CC1 ZINC001164247191 965810639 /nfs/dbraw/zinc/81/06/39/965810639.db2.gz GSKFIQGSSJHECZ-LBPRGKRZSA-N 2 0 235.335 1.014 20 0 BDADRP [NH3+][C@H]1CCN(c2ccc([C@H]3CCC[NH2+]3)cn2)C1 ZINC001164274836 965814919 /nfs/dbraw/zinc/81/49/19/965814919.db2.gz ALFZRNCSMGPBBA-NWDGAFQWSA-N 2 0 232.331 1.044 20 0 BDADRP C[NH+](C)C1CCC([NH2+]C[C@@H]2CC[C@H](O)C2)CC1 ZINC000715184952 965816694 /nfs/dbraw/zinc/81/66/94/965816694.db2.gz IZMGWCBANWPZPA-RYSNWHEDSA-N 2 0 240.391 1.610 20 0 BDADRP C[NH+](C)C1CCC([NH2+]C[C@@H]2CC[C@@H](O)C2)CC1 ZINC000715184949 965816880 /nfs/dbraw/zinc/81/68/80/965816880.db2.gz IZMGWCBANWPZPA-BLYZHGLHSA-N 2 0 240.391 1.610 20 0 BDADRP C[NH+](C)C1CCC([NH2+]Cc2ccc[nH]c2=O)CC1 ZINC000715197450 965821154 /nfs/dbraw/zinc/82/11/54/965821154.db2.gz CGXHJTUWWXAAGT-UHFFFAOYSA-N 2 0 249.358 1.750 20 0 BDADRP [NH3+][C@H]1CCC[N@H+](Cc2ccn3ccnc3c2)CC1 ZINC001205110130 965836520 /nfs/dbraw/zinc/83/65/20/965836520.db2.gz PGTMZQRSACGAFH-ZDUSSCGKSA-N 2 0 244.342 1.648 20 0 BDADRP Cc1ccncc1C[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000400386053 965951413 /nfs/dbraw/zinc/95/14/13/965951413.db2.gz YFOKDLKDFHLMEC-GFCCVEGCSA-N 2 0 233.359 1.868 20 0 BDADRP C[NH+](C)C1(C)CN(c2[nH+]ccc3[nH]ccc32)C1 ZINC001165117235 965967608 /nfs/dbraw/zinc/96/76/08/965967608.db2.gz RXIRZBMJVMDTIW-UHFFFAOYSA-N 2 0 230.315 1.703 20 0 BDADRP CN(C)c1cc[nH+]c(N(C)CC[NH+]2CCCC2)c1 ZINC001165141482 965968381 /nfs/dbraw/zinc/96/83/81/965968381.db2.gz YUHMQTBDOJKRHD-UHFFFAOYSA-N 2 0 248.374 1.680 20 0 BDADRP COc1cc[nH+]c(N2CCC(F)(C[NH3+])CC2)c1 ZINC001165259101 966010422 /nfs/dbraw/zinc/01/04/22/966010422.db2.gz DLYDUDKTRVCTRB-UHFFFAOYSA-N 2 0 239.294 1.357 20 0 BDADRP CC(C)[C@@H]1CNCC[N@@H+]1CCC12CC([NH3+])(C1)C2 ZINC001235453104 966062533 /nfs/dbraw/zinc/06/25/33/966062533.db2.gz SNXJNXYGXYKNIY-HSBZDZAISA-N 2 0 237.391 1.188 20 0 BDADRP CC(C)Oc1cc[nH+]c(N2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)c1 ZINC001165382834 966076953 /nfs/dbraw/zinc/07/69/53/966076953.db2.gz XPSOWGXMLSYHHT-PTEHBNRSSA-N 2 0 233.315 1.262 20 0 BDADRP Cc1csc(CN(CC[NH3+])CC[NH3+])c1Cl ZINC001235877237 966124907 /nfs/dbraw/zinc/12/49/07/966124907.db2.gz NGARMFMQJFNDOT-UHFFFAOYSA-N 2 0 247.795 1.429 20 0 BDADRP [NH3+][C@]12CC[C@@H]1CN(CCC[NH+]1CCCCC1)C2 ZINC001235979511 966197041 /nfs/dbraw/zinc/19/70/41/966197041.db2.gz MMBHVPABXHLESB-KGLIPLIRSA-N 2 0 237.391 1.286 20 0 BDADRP [NH3+][C@]12CC[C@H]1CN(Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001235994204 966216514 /nfs/dbraw/zinc/21/65/14/966216514.db2.gz UWTHLHYRFQKKCU-FZMZJTMJSA-N 2 0 242.326 1.486 20 0 BDADRP Cn1ccc2c1cc[nH+]c2N1CCC([NH3+])CC1 ZINC001166662194 966356062 /nfs/dbraw/zinc/35/60/62/966356062.db2.gz MVCIWTUASLAJNZ-UHFFFAOYSA-N 2 0 230.315 1.501 20 0 BDADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cn[nH]n1)CC2 ZINC001203211501 966554132 /nfs/dbraw/zinc/55/41/32/966554132.db2.gz GOXZHMGZXOTDSX-UHFFFAOYSA-N 2 0 249.362 1.113 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CO[C@H](C2CC2)C1)C[NH+](C)C ZINC000691287913 966784023 /nfs/dbraw/zinc/78/40/23/966784023.db2.gz VIQMSBQNHIFMDV-WXHSDQCUSA-N 2 0 226.364 1.341 20 0 BDADRP C[NH2+][C@@]12CC[C@@]([NH2+]C[C@H]3CCCO3)(C1)CCC2 ZINC001276429315 966825047 /nfs/dbraw/zinc/82/50/47/966825047.db2.gz WZRHNTKXQGKVDO-HZSPNIEDSA-N 2 0 238.375 1.820 20 0 BDADRP CCC1(Nc2cc[nH+]cc2C(F)(F)F)C[NH2+]C1 ZINC001168582917 966927558 /nfs/dbraw/zinc/92/75/58/966927558.db2.gz CYTCZFXVIPNVRE-UHFFFAOYSA-N 2 0 245.248 1.686 20 0 BDADRP Cc1nc[nH]c1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001204593360 967088592 /nfs/dbraw/zinc/08/85/92/967088592.db2.gz XENIMKMBSHFIIP-UHFFFAOYSA-N 2 0 248.374 1.636 20 0 BDADRP C[NH+](C)CC1(CN2CCC[NH2+]CC2)CCCC1 ZINC001204654889 967114567 /nfs/dbraw/zinc/11/45/67/967114567.db2.gz BGQLQVGOIIKECH-UHFFFAOYSA-N 2 0 239.407 1.404 20 0 BDADRP c1cc(CN2CCC[NH2+]CC2)cc2c1C[NH2+]C2 ZINC001204685023 967131524 /nfs/dbraw/zinc/13/15/24/967131524.db2.gz SESJQEMKVSPZNF-UHFFFAOYSA-N 2 0 231.343 1.085 20 0 BDADRP C[C@@]1([NH3+])CC[N@H+](CC2Cc3ccccc3C2)C1 ZINC001204762728 967154340 /nfs/dbraw/zinc/15/43/40/967154340.db2.gz BKEXZEBEMKBZHV-OAHLLOKOSA-N 2 0 230.355 1.825 20 0 BDADRP C[C@@H]1CC[C@H](N[C@@H]2CCC[C@H]([NH+](C)C)C2)C[NH2+]1 ZINC000715554810 967155105 /nfs/dbraw/zinc/15/51/05/967155105.db2.gz YGNGVQOOYYPSIO-MQYQWHSLSA-N 2 0 239.407 1.589 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)CN1 ZINC000715557518 967161751 /nfs/dbraw/zinc/16/17/51/967161751.db2.gz JMBXTSXPNYXUMW-NELGMTEASA-N 2 0 239.407 1.589 20 0 BDADRP C[NH+](C)C1CCC([NH2+]C[C@H]2CCC[NH2+]2)CC1 ZINC000715583047 967193105 /nfs/dbraw/zinc/19/31/05/967193105.db2.gz INEGFKOCRCVBAT-OTTFEQOBSA-N 3 0 225.380 1.201 20 0 BDADRP C[C@@]1([NH3+])CCCN(Cc2cccc(C[NH3+])c2)C1 ZINC001204946191 967253266 /nfs/dbraw/zinc/25/32/66/967253266.db2.gz LXIZDVVKTGPXFP-CQSZACIVSA-N 2 0 233.359 1.459 20 0 BDADRP C[C@@H](O)C[C@H]1CCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000691352320 967262431 /nfs/dbraw/zinc/26/24/31/967262431.db2.gz XROASRFJBFQDFQ-TZMCWYRMSA-N 2 0 240.391 1.564 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2cccc(F)n2)CC1 ZINC001205041510 967305226 /nfs/dbraw/zinc/30/52/26/967305226.db2.gz VMWWSNQYMJJART-UHFFFAOYSA-N 2 0 223.295 1.391 20 0 BDADRP C[C@H]1CC[C@@H](CN)[N@@H+]1CCCc1cccnc1 ZINC001205063917 967311678 /nfs/dbraw/zinc/31/16/78/967311678.db2.gz FAWDUHVZLGDAAR-JSGCOSHPSA-N 2 0 233.359 1.826 20 0 BDADRP C[C@H]1CC[C@@H](C[NH3+])N1CCC[NH+]1CCCCC1 ZINC001205064136 967318551 /nfs/dbraw/zinc/31/85/51/967318551.db2.gz JFPVYVIRDHZCSX-KBPBESRZSA-N 2 0 239.407 1.674 20 0 BDADRP Cc1n[nH]cc1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205094150 967339784 /nfs/dbraw/zinc/33/97/84/967339784.db2.gz JBCLOQXSCWNAII-LLVKDONJSA-N 2 0 208.309 1.031 20 0 BDADRP CC1(C)OCC(C[N@@H+]2CCC[C@H]([NH3+])CC2)CO1 ZINC001205095563 967341598 /nfs/dbraw/zinc/34/15/98/967341598.db2.gz YWJGFGYYAIQQRV-LBPRGKRZSA-N 2 0 242.363 1.199 20 0 BDADRP [NH3+][C@@H]1CCCN(Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001205116703 967366093 /nfs/dbraw/zinc/36/60/93/967366093.db2.gz GUQATAOSBMHCPZ-GFCCVEGCSA-N 2 0 244.342 1.876 20 0 BDADRP [NH3+][C@@H]1CCC[N@H+](Cc2cccc3c[nH]nc32)CC1 ZINC001205117927 967366927 /nfs/dbraw/zinc/36/69/27/967366927.db2.gz ZBMPBJOYMFDPND-CYBMUJFWSA-N 2 0 244.342 1.876 20 0 BDADRP C[C@H]1C[N@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)C[C@H]1C[NH3+] ZINC001205130672 967377095 /nfs/dbraw/zinc/37/70/95/967377095.db2.gz LHRFFFXHJHNASA-ODXJTPSBSA-N 2 0 220.360 1.725 20 0 BDADRP C[C@H]1C[N@H+](Cc2cnn3ccccc23)C[C@H]1C[NH3+] ZINC001205145746 967392148 /nfs/dbraw/zinc/39/21/48/967392148.db2.gz FCBKVRVJUQUNHZ-NWDGAFQWSA-N 2 0 244.342 1.361 20 0 BDADRP C[C@H]1CN(Cc2cccc3c[nH+]cn32)C[C@H]1C[NH3+] ZINC001205151076 967396466 /nfs/dbraw/zinc/39/64/66/967396466.db2.gz OQLVMKAKKIVGQA-NWDGAFQWSA-N 2 0 244.342 1.361 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCC[C@@H](O)CC2)CC1 ZINC000691359792 967400135 /nfs/dbraw/zinc/40/01/35/967400135.db2.gz NYPRPNPDDCGAMP-CYBMUJFWSA-N 2 0 226.364 1.175 20 0 BDADRP C[C@@]1([NH3+])CCCN(CC[C@H]2CCCC[NH2+]2)CC1 ZINC001205255852 967443499 /nfs/dbraw/zinc/44/34/99/967443499.db2.gz LYMTXHNSWFFUCW-ZIAGYGMSSA-N 2 0 239.407 1.722 20 0 BDADRP CSCCC[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205257533 967444765 /nfs/dbraw/zinc/44/47/65/967444765.db2.gz WKKSUKYIISLPPR-NSHDSACASA-N 2 0 216.394 1.943 20 0 BDADRP COC(=O)CCC[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205257509 967447017 /nfs/dbraw/zinc/44/70/17/967447017.db2.gz WEVUFYSPGDDVST-GFCCVEGCSA-N 2 0 228.336 1.143 20 0 BDADRP C[C@@]1([NH3+])CCC[N@H+](Cc2cccc(N)c2)CC1 ZINC001205280768 967473111 /nfs/dbraw/zinc/47/31/11/967473111.db2.gz IKXCZCCULCROAG-CQSZACIVSA-N 2 0 233.359 1.972 20 0 BDADRP C[C@@H]1CCNCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001205324907 967530256 /nfs/dbraw/zinc/53/02/56/967530256.db2.gz HUIFHYMINGORPK-CHWSQXEVSA-N 2 0 225.380 1.060 20 0 BDADRP [NH3+]C[C@@]1(F)CCCN(C[C@H]2CCCC[NH2+]2)CC1 ZINC001205537980 967666687 /nfs/dbraw/zinc/66/66/87/967666687.db2.gz LCSDWAGWRRBDSQ-CHWSQXEVSA-N 2 0 243.370 1.281 20 0 BDADRP CC1(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)COC1 ZINC001205539257 967684060 /nfs/dbraw/zinc/68/40/60/967684060.db2.gz VDNMZNCAODMYQK-GFCCVEGCSA-N 2 0 230.327 1.176 20 0 BDADRP Cn1ccnc1C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205546244 967692830 /nfs/dbraw/zinc/69/28/30/967692830.db2.gz SQRXJPSOQYKRGN-LBPRGKRZSA-N 2 0 240.326 1.073 20 0 BDADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2cncnc2)CC1 ZINC001205558810 967696558 /nfs/dbraw/zinc/69/65/58/967696558.db2.gz IXGRKVNVUORGSX-LBPRGKRZSA-N 2 0 238.310 1.130 20 0 BDADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2cc[nH]c2)CC1 ZINC001205571260 967700848 /nfs/dbraw/zinc/70/08/48/967700848.db2.gz SCJWXMPHRSFVBH-LBPRGKRZSA-N 2 0 225.311 1.668 20 0 BDADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2ccns2)CC1 ZINC001205582748 967707558 /nfs/dbraw/zinc/70/75/58/967707558.db2.gz YMKPNWPQTPSUPH-NSHDSACASA-N 2 0 243.351 1.796 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2cnco2)CC[C@@H]1C[NH3+] ZINC001205627605 967732846 /nfs/dbraw/zinc/73/28/46/967732846.db2.gz RDLHOQYTZBBGRH-GHMZBOCLSA-N 2 0 223.320 1.481 20 0 BDADRP Cc1nccnc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205629482 967738524 /nfs/dbraw/zinc/73/85/24/967738524.db2.gz ZEJLMBXHHIIAGH-YPMHNXCESA-N 2 0 248.374 1.592 20 0 BDADRP [NH3+]C[C@@]1(O)CCCC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC001205664578 967756396 /nfs/dbraw/zinc/75/63/96/967756396.db2.gz OIXWQCQORBCETC-KGLIPLIRSA-N 2 0 238.375 1.518 20 0 BDADRP CCC1(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)COC1 ZINC001205734927 967809134 /nfs/dbraw/zinc/80/91/34/967809134.db2.gz HNLPZDPJQAISOZ-JTQLQIEISA-N 2 0 248.317 1.329 20 0 BDADRP [NH3+]C[C@H]1CN(C[C@@H]2CCCC[NH2+]2)CCC1(F)F ZINC001205734722 967809438 /nfs/dbraw/zinc/80/94/38/967809438.db2.gz GXZLERGBVQKDNX-QWRGUYRKSA-N 2 0 247.333 1.044 20 0 BDADRP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)O1 ZINC000701568300 967814434 /nfs/dbraw/zinc/81/44/34/967814434.db2.gz MQAHWKGYPPHVMI-FDYHWXHSSA-N 2 0 238.375 1.804 20 0 BDADRP C[C@@H]1CCN(C[C@@H]([NH3+])c2ccccc2)C[C@@H]1[NH3+] ZINC001205863483 967862033 /nfs/dbraw/zinc/86/20/33/967862033.db2.gz WRSDGQUVPOKAAF-KWCYVHTRSA-N 2 0 233.359 1.356 20 0 BDADRP C[C@@H]1[C@@H](C[NH3+])CCCN1CC[C@H]1CCCC[NH2+]1 ZINC001205903481 967879954 /nfs/dbraw/zinc/87/99/54/967879954.db2.gz PNNYGUAHGSBADK-MGPQQGTHSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cccc(N)c1 ZINC001205916117 967880257 /nfs/dbraw/zinc/88/02/57/967880257.db2.gz RXFCOWLHLNUGNP-YPMHNXCESA-N 2 0 233.359 1.828 20 0 BDADRP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1CC1(C)CC[NH2+]CC1 ZINC001205903033 967881065 /nfs/dbraw/zinc/88/10/65/967881065.db2.gz NDRCOINVFWPWEK-OLZOCXBDSA-N 3 0 239.407 1.435 20 0 BDADRP [NH3+][C@@H]1CC[N@H+](Cc2cccc3cc[nH]c32)C[C@H]1O ZINC001205959747 967903528 /nfs/dbraw/zinc/90/35/28/967903528.db2.gz VCKGDBPGAKMYJF-CHWSQXEVSA-N 2 0 245.326 1.062 20 0 BDADRP CCOC(=O)CC[N@@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205981124 967922163 /nfs/dbraw/zinc/92/21/63/967922163.db2.gz BSWDEGZICNXRCN-NWDGAFQWSA-N 2 0 242.363 1.246 20 0 BDADRP CCOC(=O)CC[N@@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205981121 967924116 /nfs/dbraw/zinc/92/41/16/967924116.db2.gz BSWDEGZICNXRCN-NEPJUHHUSA-N 2 0 242.363 1.246 20 0 BDADRP Cc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)[nH]n1 ZINC001205982524 967929585 /nfs/dbraw/zinc/92/95/85/967929585.db2.gz MGJUNUAGTKMMLO-ZYHUDNBSSA-N 2 0 236.363 1.525 20 0 BDADRP Cc1cncc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC001205983915 967936895 /nfs/dbraw/zinc/93/68/95/967936895.db2.gz PYGCIIGLUWMDHC-YPMHNXCESA-N 2 0 248.374 1.592 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cscn2)CCC[C@H]1C[NH3+] ZINC001205995541 967948032 /nfs/dbraw/zinc/94/80/32/967948032.db2.gz OYJFJGSWKDXUAG-MNOVXSKESA-N 2 0 239.388 1.950 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccc[nH]2)CCC[C@H]1C[NH3+] ZINC001205992804 967951863 /nfs/dbraw/zinc/95/18/63/967951863.db2.gz GCJMMRANJXMERQ-NEPJUHHUSA-N 2 0 221.348 1.822 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccncc2[O-])CCC[C@@H]1C[NH3+] ZINC001206003911 967959141 /nfs/dbraw/zinc/95/91/41/967959141.db2.gz NNPIFLZQVSAZDB-NWDGAFQWSA-N 2 0 249.358 1.594 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccns2)CCC[C@@H]1C[NH3+] ZINC001206012391 967965843 /nfs/dbraw/zinc/96/58/43/967965843.db2.gz LAIISDODMSMKPU-WDEREUQCSA-N 2 0 239.388 1.950 20 0 BDADRP Cc1ncncc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206024532 967985292 /nfs/dbraw/zinc/98/52/92/967985292.db2.gz JSNNUPCLZRYHEO-YPMHNXCESA-N 2 0 248.374 1.592 20 0 BDADRP C[C@H]1C[NH2+]CCN(Cc2cccc(C[NH3+])c2)C1 ZINC001206278093 968192810 /nfs/dbraw/zinc/19/28/10/968192810.db2.gz YNEXWBLJQFZECP-LBPRGKRZSA-N 2 0 233.359 1.187 20 0 BDADRP Cc1cncc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)n1 ZINC001206295859 968200757 /nfs/dbraw/zinc/20/07/57/968200757.db2.gz OGJWUTGIXLABGB-AWEZNQCLSA-N 2 0 248.374 1.736 20 0 BDADRP C[C@]1(C[NH3+])CCCN(Cc2csnn2)CC1 ZINC001206311043 968205877 /nfs/dbraw/zinc/20/58/77/968205877.db2.gz GXEUZCWQTXYBFX-NSHDSACASA-N 2 0 240.376 1.489 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2ncco2)CC1 ZINC001206311418 968219254 /nfs/dbraw/zinc/21/92/54/968219254.db2.gz ODXYFEGHRUZDJB-GFCCVEGCSA-N 2 0 223.320 1.626 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cncc(O)c2)CC1 ZINC001206318058 968224387 /nfs/dbraw/zinc/22/43/87/968224387.db2.gz LVXFSESKYUXHPS-CQSZACIVSA-N 2 0 249.358 1.738 20 0 BDADRP Cc1nc(C)c(C)c(N2C[C@@H](C[NH3+])CC[C@@H]2C)n1 ZINC001164474180 968235725 /nfs/dbraw/zinc/23/57/25/968235725.db2.gz NHJHWEZMYXSBHG-TVQRCGJNSA-N 2 0 248.374 1.965 20 0 BDADRP Cc1c[nH+]c(N2C[C@H](C[NH3+])CC[C@@H]2C)cc1N ZINC001164467532 968237002 /nfs/dbraw/zinc/23/70/02/968237002.db2.gz JFLZGABWMSMOTM-QWRGUYRKSA-N 2 0 234.347 1.536 20 0 BDADRP CCOC(C)(C)C[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206336716 968245684 /nfs/dbraw/zinc/24/56/84/968245684.db2.gz NQYOOPWMTFKSDM-ZDUSSCGKSA-N 2 0 246.370 1.954 20 0 BDADRP Cc1cccc(C)c1C[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206463680 968317354 /nfs/dbraw/zinc/31/73/54/968317354.db2.gz BCTGGTKSDFVBFP-GXTWGEPZSA-N 2 0 234.343 1.055 20 0 BDADRP CN(C)c1cc(Nc2cc[nH+]c(N)c2)cc[nH+]1 ZINC001206536133 968362770 /nfs/dbraw/zinc/36/27/70/968362770.db2.gz VWARJANGVVXKIZ-UHFFFAOYSA-N 2 0 229.287 1.868 20 0 BDADRP C[C@@]1(C[NH3+])CCCC[N@H+](CCCCCC[NH3+])C1 ZINC001206541773 968365281 /nfs/dbraw/zinc/36/52/81/968365281.db2.gz JZDDHPXCYCTIHT-AWEZNQCLSA-N 3 0 241.423 1.956 20 0 BDADRP Cc1nc[nH]c1C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206548132 968370548 /nfs/dbraw/zinc/37/05/48/968370548.db2.gz HHTIRYAHJZJOPU-ZDUSSCGKSA-N 2 0 236.363 1.669 20 0 BDADRP CCCC[NH+]1CCC(C[NH2+]C[C@H](C)O)CC1 ZINC001251973391 968414457 /nfs/dbraw/zinc/41/44/57/968414457.db2.gz CRXGSIZAHQNPES-LBPRGKRZSA-N 2 0 228.380 1.469 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCc2cn[nH]c2)C1 ZINC001119699794 968457626 /nfs/dbraw/zinc/45/76/26/968457626.db2.gz ZFQRXJOSEJWBOZ-RYUDHWBXSA-N 2 0 236.363 1.448 20 0 BDADRP CCCC[C@@H](O)C[NH2+]CC1CC[NH+](C)CC1 ZINC001252107485 968588258 /nfs/dbraw/zinc/58/82/58/968588258.db2.gz YFIVBAYIYJKWPN-CYBMUJFWSA-N 2 0 228.380 1.469 20 0 BDADRP CCCC[C@@H](O)C[NH2+]CC1CC[NH+](CC)CC1 ZINC001252109666 968592034 /nfs/dbraw/zinc/59/20/34/968592034.db2.gz AXJULVGAWPZJSA-CQSZACIVSA-N 2 0 242.407 1.859 20 0 BDADRP C[NH+](C)CC(C)(C)CNc1cccc(C[NH3+])n1 ZINC001168769394 968646954 /nfs/dbraw/zinc/64/69/54/968646954.db2.gz QGUXJLBSMHALOA-UHFFFAOYSA-N 2 0 236.363 1.540 20 0 BDADRP C[C@H]1CC[C@@H](CO)C[N@@H+]1CC(C)(C)C[NH+](C)C ZINC001207275710 968709779 /nfs/dbraw/zinc/70/97/79/968709779.db2.gz ODWLNVDPSUVLCA-QWHCGFSZSA-N 2 0 242.407 1.667 20 0 BDADRP COC[C@@H]1CCC[N@@H+]1CC(C)(C)C[NH+](C)C ZINC001207275412 968712596 /nfs/dbraw/zinc/71/25/96/968712596.db2.gz NJVZLUOAGKPOME-LBPRGKRZSA-N 2 0 228.380 1.685 20 0 BDADRP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@@H](CCO)C1 ZINC001207283405 968717946 /nfs/dbraw/zinc/71/79/46/968717946.db2.gz XXDNIXYDDPSXJA-ZDUSSCGKSA-N 2 0 242.407 1.669 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCCC[C@@](C)(O)C2)CC1 ZINC001207391284 968747463 /nfs/dbraw/zinc/74/74/63/968747463.db2.gz BCOAARCLIKEZNB-CQSZACIVSA-N 2 0 240.391 1.565 20 0 BDADRP FC(F)[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC001207437657 968770888 /nfs/dbraw/zinc/77/08/88/968770888.db2.gz NUHQZSDRMTWMKJ-LLVKDONJSA-N 2 0 232.318 1.963 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+][C@H]3CCSC3)[C@@H]2C1 ZINC001207838136 968895742 /nfs/dbraw/zinc/89/57/42/968895742.db2.gz WGTUKRFCNHMBNZ-YFKTTZPYSA-N 2 0 226.389 1.422 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](CCCn3cccn3)C[C@@H]2C1 ZINC001208076824 968980160 /nfs/dbraw/zinc/98/01/60/968980160.db2.gz QZNAFKQMNJJTCE-KGLIPLIRSA-N 2 0 248.374 1.157 20 0 BDADRP C[NH+]1CCC(C)(C[N@@H+]2CCC[C@H]2CO)CC1 ZINC001208107883 968999676 /nfs/dbraw/zinc/99/96/76/968999676.db2.gz LKCCTIQZWMONLJ-LBPRGKRZSA-N 2 0 226.364 1.175 20 0 BDADRP C[NH+]1CCC(C)(C[N@@H+]2CCC[C@H](CO)C2)CC1 ZINC001208105575 969000029 /nfs/dbraw/zinc/00/00/29/969000029.db2.gz YCUOUNHZBYJKST-ZDUSSCGKSA-N 2 0 240.391 1.423 20 0 BDADRP C[NH+]1CCC(C)(C[N@H+]2C[C@H]3C[C@@H](C2)O3)CC1 ZINC001208113743 969009893 /nfs/dbraw/zinc/00/98/93/969009893.db2.gz MZVCQQPYWCTNHX-TXEJJXNPSA-N 2 0 224.348 1.191 20 0 BDADRP C[NH+](C)CCN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001208127347 969016892 /nfs/dbraw/zinc/01/68/92/969016892.db2.gz WUFHQRGAGYNIKR-CYBMUJFWSA-N 2 0 225.380 1.108 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)CC[NH2+]1 ZINC000379994764 969148619 /nfs/dbraw/zinc/14/86/19/969148619.db2.gz VKRNDHKLQPBMHG-YIYPIFLZSA-N 3 0 237.391 1.010 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@@H](O)CC2)CC1 ZINC001208593682 969148893 /nfs/dbraw/zinc/14/88/93/969148893.db2.gz ZIPTVDRXYGJXTG-CQSZACIVSA-N 2 0 240.391 1.565 20 0 BDADRP CC[NH+]1CCC(C[NH+]2CC([C@@H](C)OC)C2)CC1 ZINC001208603235 969153491 /nfs/dbraw/zinc/15/34/91/969153491.db2.gz WXXOMFVPAOFDRS-GFCCVEGCSA-N 2 0 240.391 1.685 20 0 BDADRP C[C@@H]1CN(C[C@@H]2CCC[N@H+](C)C2)C[C@H](C)[NH+]1C ZINC001208612791 969169168 /nfs/dbraw/zinc/16/91/68/969169168.db2.gz NVTQSQKJLVMYEY-HZSPNIEDSA-N 2 0 239.407 1.353 20 0 BDADRP CC[N@@H+]1C[C@@H]2C[C@H]1CN2C[C@@H]1CCC[NH+](C)C1 ZINC001208612829 969173931 /nfs/dbraw/zinc/17/39/31/969173931.db2.gz DRRYXOXTOQFDMG-RDBSUJKOSA-N 2 0 237.391 1.107 20 0 BDADRP COc1ccccc1C[C@@H](C)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000723455913 969193565 /nfs/dbraw/zinc/19/35/65/969193565.db2.gz XWXBSZRCPYFMMA-YRGRVCCFSA-N 2 0 248.370 1.905 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccnn2C)CCC[C@@H]1C[NH3+] ZINC001205991354 969204191 /nfs/dbraw/zinc/20/41/91/969204191.db2.gz AEOBVJBARTWUPG-VXGBXAGGSA-N 2 0 236.363 1.227 20 0 BDADRP CCC[N@H+](CCC[NH+](C)C)C[C@@H](C)C(=O)OC ZINC001208724044 969210080 /nfs/dbraw/zinc/21/00/80/969210080.db2.gz BUMMSHRJUKDZOI-GFCCVEGCSA-N 2 0 244.379 1.459 20 0 BDADRP [NH3+]Cc1cccc(-n2cc3c(n2)CC[C@@H]([NH3+])C3)c1 ZINC001168816454 969216607 /nfs/dbraw/zinc/21/66/07/969216607.db2.gz RBQZMNZLWAWMKJ-GFCCVEGCSA-N 2 0 242.326 1.147 20 0 BDADRP CCCCC[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC001253551547 969223853 /nfs/dbraw/zinc/22/38/53/969223853.db2.gz PJFPQUHRJNSLEX-KBPBESRZSA-N 2 0 242.407 1.859 20 0 BDADRP CC[NH+]1C[C@@H]2C[NH+](C[C@H](O)C(C)(C)C)C[C@H]2C1 ZINC001253732192 969354856 /nfs/dbraw/zinc/35/48/56/969354856.db2.gz FZODLLNEFVVUHR-UPJWGTAASA-N 2 0 240.391 1.277 20 0 BDADRP Cc1cnc(CC[NH3+])n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169095692 969383241 /nfs/dbraw/zinc/38/32/41/969383241.db2.gz RGAKAZVNNBHJHV-ITGUQSILSA-N 2 0 248.374 1.490 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@]1(C)C[C@H](O)C1)C2 ZINC001169099995 969391459 /nfs/dbraw/zinc/39/14/59/969391459.db2.gz YSYBBXVEISEZBE-XXCSZPINSA-N 2 0 224.348 1.115 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCC[C@@H](O)C1)C2 ZINC001169100971 969397160 /nfs/dbraw/zinc/39/71/60/969397160.db2.gz NGSDBUOYFWRUQX-PDWCTOEPSA-N 2 0 238.375 1.505 20 0 BDADRP C[C@@H]([NH3+])c1nccn1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169078763 969398678 /nfs/dbraw/zinc/39/86/78/969398678.db2.gz GGHLZEQTCVLAKE-WYUUTHIRSA-N 2 0 234.347 1.701 20 0 BDADRP CC(C)[C@H](O)C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC001253778528 969399701 /nfs/dbraw/zinc/39/97/01/969399701.db2.gz SJYZZANECGYYAN-QWHCGFSZSA-N 2 0 228.380 1.325 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NCC[NH+]1CCCC1)C2 ZINC001169077945 969400397 /nfs/dbraw/zinc/40/03/97/969400397.db2.gz CJDKNXCKYZWWOK-BTTYYORXSA-N 2 0 237.391 1.297 20 0 BDADRP CCOCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169081337 969402883 /nfs/dbraw/zinc/40/28/83/969402883.db2.gz RLYQDPCDGZQFDB-XYYAHUGASA-N 2 0 226.364 1.628 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](n1cnc(C[NH3+])c1)C2 ZINC001169080397 969405212 /nfs/dbraw/zinc/40/52/12/969405212.db2.gz NBWHFIPMQDOVOB-ZSBIGDGJSA-N 2 0 220.320 1.140 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@H]1CCCCO1)C2 ZINC001169091471 969408615 /nfs/dbraw/zinc/40/86/15/969408615.db2.gz RWSTUJCCYRSBHP-FQUUOJAGSA-N 2 0 238.375 1.770 20 0 BDADRP CC(C)N(CC[NH3+])[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169091433 969409688 /nfs/dbraw/zinc/40/96/88/969409688.db2.gz QXTLWJCNHHMLPZ-ITGUQSILSA-N 2 0 225.380 1.281 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H]1CCCCO1)C2 ZINC001169091472 969410019 /nfs/dbraw/zinc/41/00/19/969410019.db2.gz RWSTUJCCYRSBHP-XJFOESAGSA-N 2 0 238.375 1.770 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@]1(C)CCOC1)C2 ZINC001169119308 969411417 /nfs/dbraw/zinc/41/14/17/969411417.db2.gz RASPPVHCKIYMGH-RVMXOQNASA-N 2 0 224.348 1.380 20 0 BDADRP C[N@H+](C1CCOCC1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169125887 969426428 /nfs/dbraw/zinc/42/64/28/969426428.db2.gz NDPLQYHRSWMZNX-BTTYYORXSA-N 2 0 238.375 1.722 20 0 BDADRP C[C@@H]1C[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[C@H]1O ZINC001169126724 969430276 /nfs/dbraw/zinc/43/02/76/969430276.db2.gz WZGBSMVVZCKLGF-RKQHYHRCSA-N 2 0 238.375 1.314 20 0 BDADRP C[NH+](C)C1CCN(CCCC2OCCO2)CC1 ZINC001209304629 969434863 /nfs/dbraw/zinc/43/48/63/969434863.db2.gz UVDKKEWLILBNOO-UHFFFAOYSA-N 2 0 242.363 1.166 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1C[C@@H]3C[C@@H]3C1)C2 ZINC001169129004 969441834 /nfs/dbraw/zinc/44/18/34/969441834.db2.gz GQJRXMGEFHCNTL-FOPUMGAHSA-N 2 0 206.333 1.563 20 0 BDADRP C[C@H](C[NH3+])CN(C)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169110520 969445776 /nfs/dbraw/zinc/44/57/76/969445776.db2.gz MANUGRIDDQCYCI-NDBYEHHHSA-N 2 0 225.380 1.138 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1COC(C)(C)C1)C2 ZINC001169112684 969451540 /nfs/dbraw/zinc/45/15/40/969451540.db2.gz RQXKNYCOWZQRBD-ZDEQEGDKSA-N 2 0 238.375 1.769 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@]13CCOC3)C2 ZINC001169153028 969462485 /nfs/dbraw/zinc/46/24/85/969462485.db2.gz GCUTUUTYDZNOKF-DGAVXFQQSA-N 2 0 236.359 1.476 20 0 BDADRP CN([C@H]1CC[N@H+](C)C1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169142849 969466490 /nfs/dbraw/zinc/46/64/90/969466490.db2.gz WUWYPGFOVNOBBB-RFQIPJPRSA-N 2 0 237.391 1.248 20 0 BDADRP CC[N@@H+]1C[C@@H]2C[C@H]1CN2[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169161133 969478085 /nfs/dbraw/zinc/47/80/85/969478085.db2.gz OMHKKHCJGWUWSU-QRTUWBSPSA-N 2 0 249.402 1.390 20 0 BDADRP COC[C@@H]1CC[N@@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169160097 969481132 /nfs/dbraw/zinc/48/11/32/969481132.db2.gz AUWLOQOHCSDFAB-RNJOBUHISA-N 2 0 224.348 1.332 20 0 BDADRP CCCN(CCC[NH3+])C1CC[NH+](CC)CC1 ZINC001169221773 969492921 /nfs/dbraw/zinc/49/29/21/969492921.db2.gz LAIYHDQTERFREM-UHFFFAOYSA-N 2 0 227.396 1.532 20 0 BDADRP C[C@H]1CC[C@@H](CO)[N@@H+]1CCC[NH+]1CCCCC1 ZINC001209449255 969519976 /nfs/dbraw/zinc/51/99/76/969519976.db2.gz FRPVPVDZARFZIG-KBPBESRZSA-N 2 0 240.391 1.708 20 0 BDADRP CCC[NH+](CCC)Cc1cn(CCC[NH3+])nn1 ZINC001254150126 969524818 /nfs/dbraw/zinc/52/48/18/969524818.db2.gz SHMSTHTZUBOFBA-UHFFFAOYSA-N 2 0 239.367 1.249 20 0 BDADRP C[N@@H+]1C[C@H]2CCCN(Cc3c[nH+]ccc3N)[C@H]2C1 ZINC001209729938 969589962 /nfs/dbraw/zinc/58/99/62/969589962.db2.gz BQTNPOTTWQTCBF-RISCZKNCSA-N 2 0 246.358 1.020 20 0 BDADRP Cc1cnc(CC[NH3+])n1[C@@H]1CCC[N@@H+](C)CC1 ZINC001254499827 969646228 /nfs/dbraw/zinc/64/62/28/969646228.db2.gz BVGGIMRHZSIJSK-GFCCVEGCSA-N 2 0 236.363 1.350 20 0 BDADRP COC(CCC[NH2+][C@@H]1CCC[N@H+](C)CC1)OC ZINC001254507346 969646679 /nfs/dbraw/zinc/64/66/79/969646679.db2.gz ARZLOEWAWUHISX-GFCCVEGCSA-N 2 0 244.379 1.459 20 0 BDADRP C[N@@H+]1CCC[C@H](n2ccc(CC[NH3+])n2)CC1 ZINC001254499793 969647822 /nfs/dbraw/zinc/64/78/22/969647822.db2.gz ARRJDIFVMQVFOB-LBPRGKRZSA-N 2 0 222.336 1.041 20 0 BDADRP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC001169457546 969655651 /nfs/dbraw/zinc/65/56/51/969655651.db2.gz RVPQSQJQNXTIDY-GRYCIOLGSA-N 2 0 241.379 1.103 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+]C[C@@H](O)c2ccco2)CC1 ZINC001254497844 969657876 /nfs/dbraw/zinc/65/78/76/969657876.db2.gz OGZWIIFXONFDIS-VXGBXAGGSA-N 2 0 238.331 1.387 20 0 BDADRP C[NH+]1CCC[C@@H]([NH2+][C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254500155 969661429 /nfs/dbraw/zinc/66/14/29/969661429.db2.gz GMNSGMMMPOZIMN-OKILXGFUSA-N 3 0 239.407 1.545 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+]C2CC(F)C2)CC1 ZINC001254497169 969662946 /nfs/dbraw/zinc/66/29/46/969662946.db2.gz HFXMCIWAVABMMS-YVNMAJEFSA-N 2 0 200.301 1.561 20 0 BDADRP CCCN(CCC[NH3+])[C@@H]1CCC[N@H+](C)CC1 ZINC001254501039 969665234 /nfs/dbraw/zinc/66/52/34/969665234.db2.gz PKAHMJBEEQHYEV-CYBMUJFWSA-N 2 0 227.396 1.532 20 0 BDADRP C[N@@H+]1CCC[C@H](N(C(N)=[NH2+])c2ccccc2)CC1 ZINC001254504325 969674984 /nfs/dbraw/zinc/67/49/84/969674984.db2.gz TZBPGROURICUDZ-ZDUSSCGKSA-N 2 0 246.358 1.871 20 0 BDADRP C[N@@H+]1CCC[C@@H](Nc2ccc(C[NH3+])nc2)CC1 ZINC001254507878 969681304 /nfs/dbraw/zinc/68/13/04/969681304.db2.gz GLBUGNHFKUJDKE-LLVKDONJSA-N 2 0 234.347 1.437 20 0 BDADRP C[NH+]1CCCN([C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254516221 969689288 /nfs/dbraw/zinc/68/92/88/969689288.db2.gz KSFVFMCVEJOGEW-ZDUSSCGKSA-N 2 0 225.380 1.108 20 0 BDADRP C[N@@H+]1CCC[C@H](N2C[C@@H]3C[C@@H]3[C@@H](F)C2)CC1 ZINC001254521768 969707719 /nfs/dbraw/zinc/70/77/19/969707719.db2.gz XFQUDSXJVGXPMF-CYDGBPFRSA-N 2 0 226.339 1.761 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH+]2CCC[C@]23CCOC3)CC1 ZINC001254529168 969721319 /nfs/dbraw/zinc/72/13/19/969721319.db2.gz KMVFXQGSWIUJQM-ZIAGYGMSSA-N 2 0 238.375 1.726 20 0 BDADRP C[C@@H]1CO[C@@H]2C[N@@H+]([C@@H]3CCC[NH+](C)CC3)C[C@H]12 ZINC001254530197 969726278 /nfs/dbraw/zinc/72/62/78/969726278.db2.gz UZCBCRSHOZAPCD-AAVRWANBSA-N 2 0 238.375 1.437 20 0 BDADRP CO[C@@H]1CC[N@@H+]([C@H]2CCC[NH+](C)CC2)[C@H](C)C1 ZINC001254533027 969733034 /nfs/dbraw/zinc/73/30/34/969733034.db2.gz ISCWCRPFFYEJNL-HZSPNIEDSA-N 2 0 240.391 1.970 20 0 BDADRP [NH3+]CCc1cncn1[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254834711 969797428 /nfs/dbraw/zinc/79/74/28/969797428.db2.gz YHZWMGAOGSUISE-CYBMUJFWSA-N 2 0 234.347 1.041 20 0 BDADRP CC(C)([NH3+])C(C)(C)[NH2+][C@H]1CC2CCN(CC2)C1 ZINC001254842150 969804487 /nfs/dbraw/zinc/80/44/87/969804487.db2.gz CSIDXKQJFWRRIS-LBPRGKRZSA-N 2 0 239.407 1.576 20 0 BDADRP CN([C@@H]1CC[N@H+](C)C1)[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254859131 969811824 /nfs/dbraw/zinc/81/18/24/969811824.db2.gz BVDIFLXHDVKWDS-ZIAGYGMSSA-N 2 0 237.391 1.107 20 0 BDADRP CC1([NH3+])CN([C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001255106493 969938731 /nfs/dbraw/zinc/93/87/31/969938731.db2.gz WKWZIJVYWYRYDP-CQSZACIVSA-N 2 0 245.370 1.294 20 0 BDADRP Cc1cncc(NC[C@@H]2COCC[NH2+]2)c1C ZINC001170045066 970071207 /nfs/dbraw/zinc/07/12/07/970071207.db2.gz QOTVFMBUWMNISC-LLVKDONJSA-N 2 0 221.304 1.099 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC[C@@H]2COCC[NH2+]2)cc1 ZINC001170046092 970077796 /nfs/dbraw/zinc/07/77/96/970077796.db2.gz YSTHSMPZEOXDQU-GXFFZTMASA-N 2 0 235.331 1.107 20 0 BDADRP [NH3+][C@H]1CCc2c1cccc2NC[C@H]1COCC[NH2+]1 ZINC001170048142 970085864 /nfs/dbraw/zinc/08/58/64/970085864.db2.gz VZSPLVRXBUJPKG-GWCFXTLKSA-N 2 0 247.342 1.033 20 0 BDADRP C[N@@H+]1CC[C@@H](n2ccc3c2cccc3C[NH3+])C1 ZINC001255412137 970132008 /nfs/dbraw/zinc/13/20/08/970132008.db2.gz LJENJHUUQPAIPY-GFCCVEGCSA-N 2 0 229.327 1.977 20 0 BDADRP C[N@@H+]1CC[C@@H](N(C(N)=[NH2+])c2ccccc2F)C1 ZINC001255415556 970136517 /nfs/dbraw/zinc/13/65/17/970136517.db2.gz KPRMSPWFHYUCRA-SECBINFHSA-N 2 0 236.294 1.230 20 0 BDADRP C[N@@H+]1CC[C@H](n2c3ccccc3nc2CC[NH3+])C1 ZINC001255413205 970136988 /nfs/dbraw/zinc/13/69/88/970136988.db2.gz UYWVVDYSCGPCRD-NSHDSACASA-N 2 0 244.342 1.414 20 0 BDADRP C[N@@H+]1CC[C@H](N2CC[C@H]([NH3+])c3ccccc32)C1 ZINC001255417302 970140464 /nfs/dbraw/zinc/14/04/64/970140464.db2.gz KCTBGKMRUIEZOZ-AAEUAGOBSA-N 2 0 231.343 1.601 20 0 BDADRP C[N@@H+]1CC[C@H](n2cc(CC[NH3+])c3c[nH+]ccc32)C1 ZINC001255422564 970147045 /nfs/dbraw/zinc/14/70/45/970147045.db2.gz ZNLPQGRDFQKICH-LBPRGKRZSA-N 2 0 244.342 1.414 20 0 BDADRP C[NH2+]Cc1ccc(Nc2c[nH+]cn2C)cc1 ZINC001211129911 970155425 /nfs/dbraw/zinc/15/54/25/970155425.db2.gz XHVHPIPQTCAGLN-UHFFFAOYSA-N 2 0 216.288 1.883 20 0 BDADRP CC[N@H+](C)C1CCN([C@@H]2CC[NH+](C)C2)CC1 ZINC001255442551 970177493 /nfs/dbraw/zinc/17/74/93/970177493.db2.gz XXFOAITWDUWPAU-CYBMUJFWSA-N 2 0 225.380 1.107 20 0 BDADRP C[N@@H+]1CCC[C@H](n2cnc3ccc(C[NH3+])cc32)C1 ZINC001255470383 970198681 /nfs/dbraw/zinc/19/86/81/970198681.db2.gz MZGQLZWUHXLMHL-LBPRGKRZSA-N 2 0 244.342 1.762 20 0 BDADRP COc1c[nH+]ccc1Nc1cc[nH+]c(CO)c1 ZINC001211260918 970209825 /nfs/dbraw/zinc/20/98/25/970209825.db2.gz XGARXUIQHSTTHK-UHFFFAOYSA-N 2 0 231.255 1.143 20 0 BDADRP C[NH+](C)C[C@@H]1CCCN1[C@H]1CCC[N@H+](C)C1 ZINC001255488081 970237784 /nfs/dbraw/zinc/23/77/84/970237784.db2.gz XOJZDIBIULSBHQ-STQMWFEESA-N 2 0 225.380 1.107 20 0 BDADRP [NH3+]C[C@@H](O)C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC001255506632 970273318 /nfs/dbraw/zinc/27/33/18/970273318.db2.gz DBOBDIVPUXVLSV-AMDVSUOASA-N 2 0 240.269 1.017 20 0 BDADRP C[C@H]1CC[C@H](N(CCC[NH3+])CCC[NH+](C)C)C1 ZINC001170109443 970311997 /nfs/dbraw/zinc/31/19/97/970311997.db2.gz PVWNXMCIDMNFBB-KBPBESRZSA-N 2 0 241.423 1.778 20 0 BDADRP COC[C@H](C)[NH2+]CC1CC[NH+](C(C)C)CC1 ZINC001255556930 970334415 /nfs/dbraw/zinc/33/44/15/970334415.db2.gz BRUQQEFHGIHADJ-LBPRGKRZSA-N 2 0 228.380 1.731 20 0 BDADRP COC[C@@H](C)[NH2+]CC1CC[NH+](C(C)C)CC1 ZINC001255556929 970334742 /nfs/dbraw/zinc/33/47/42/970334742.db2.gz BRUQQEFHGIHADJ-GFCCVEGCSA-N 2 0 228.380 1.731 20 0 BDADRP COC[C@H](C)[NH2+]CC1CC[NH+](C2CCC2)CC1 ZINC001255562909 970349105 /nfs/dbraw/zinc/34/91/05/970349105.db2.gz PBICQXKCLCTEEQ-LBPRGKRZSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]1CC[C@H](N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC001170145692 970432583 /nfs/dbraw/zinc/43/25/83/970432583.db2.gz VVWKHJVEAQDVSL-KBPBESRZSA-N 2 0 241.423 1.600 20 0 BDADRP CC[C@H]1C[C@H]([NH2+]CCSCC[NH3+])CCO1 ZINC001170181366 970558153 /nfs/dbraw/zinc/55/81/53/970558153.db2.gz HNTLWUFHDAFJEV-MNOVXSKESA-N 2 0 232.393 1.226 20 0 BDADRP C[C@H](Cc1ccccc1F)[NH2+]CCOCC[NH3+] ZINC001255831115 970508447 /nfs/dbraw/zinc/50/84/47/970508447.db2.gz JEADXFYXLRCZQL-LLVKDONJSA-N 2 0 240.322 1.322 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]C[C@H](C)C[NH3+])CCO1 ZINC001170182171 970556851 /nfs/dbraw/zinc/55/68/51/970556851.db2.gz MNUILGSSIMFKAL-GMTAPVOTSA-N 2 0 200.326 1.128 20 0 BDADRP CC[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)CCO1 ZINC001170183354 970557004 /nfs/dbraw/zinc/55/70/04/970557004.db2.gz RBSNISWNQOXALV-CYDGBPFRSA-N 2 0 226.364 1.804 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)n1nncc1C[NH3+] ZINC001255945574 970563946 /nfs/dbraw/zinc/56/39/46/970563946.db2.gz GRNZYUMOOPYSJP-SNVBAGLBSA-N 2 0 225.340 1.030 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]C[C@@H](C)O ZINC001255940031 970568742 /nfs/dbraw/zinc/56/87/42/970568742.db2.gz LUNTWFFAGSAHKM-GHMZBOCLSA-N 2 0 202.342 1.077 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]C[C@H]1CCCO1 ZINC001255940184 970569477 /nfs/dbraw/zinc/56/94/77/970569477.db2.gz RUABGLLXXVFCJK-CHWSQXEVSA-N 2 0 228.380 1.875 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]C[C@@H]1CCCO1 ZINC001255940187 970570922 /nfs/dbraw/zinc/57/09/22/970570922.db2.gz RUABGLLXXVFCJK-STQMWFEESA-N 2 0 228.380 1.875 20 0 BDADRP COC1(C[NH2+][C@@H](C)C2CC[NH2+]CC2)CCCC1 ZINC000400335355 970577954 /nfs/dbraw/zinc/57/79/54/970577954.db2.gz FEBXPSULWUQJDE-LBPRGKRZSA-N 2 0 240.391 1.923 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]CCC1OCCO1 ZINC001255947553 970580344 /nfs/dbraw/zinc/58/03/44/970580344.db2.gz SFBNVNACFWDURZ-LBPRGKRZSA-N 2 0 244.379 1.459 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]CC1CC(O)C1 ZINC001255946336 970580866 /nfs/dbraw/zinc/58/08/66/970580866.db2.gz SLLGWNDVBIVSOK-PNESKVBLSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)C1CC[NH2+]CC1 ZINC000400456423 970594100 /nfs/dbraw/zinc/59/41/00/970594100.db2.gz SOPMAWONNFAFBB-PKSQDBQZSA-N 3 0 225.380 1.234 20 0 BDADRP [NH3+]CCc1ccn(C2CC[NH+](C3CC3)CC2)n1 ZINC001256067651 970630043 /nfs/dbraw/zinc/63/00/43/970630043.db2.gz XWMIFPDPCQJFFD-UHFFFAOYSA-N 2 0 234.347 1.184 20 0 BDADRP [NH3+]Cc1ccnn1C1CC[NH+](C2CC2)CC1 ZINC001256066499 970630732 /nfs/dbraw/zinc/63/07/32/970630732.db2.gz HINRUIFHELQURK-UHFFFAOYSA-N 2 0 220.320 1.141 20 0 BDADRP [NH3+]Cc1cccn1C1CC[NH+](C2CC2)CC1 ZINC001256067616 970633201 /nfs/dbraw/zinc/63/32/01/970633201.db2.gz UQHPTUKDOCKPBW-UHFFFAOYSA-N 2 0 219.332 1.746 20 0 BDADRP CN([C@H]1CC[N@H+](C)C1)C1CC[NH+](C2CC2)CC1 ZINC001256078891 970650071 /nfs/dbraw/zinc/65/00/71/970650071.db2.gz DNRWIWONQVVAOG-AWEZNQCLSA-N 2 0 237.391 1.249 20 0 BDADRP c1cc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccn1 ZINC000400996892 970655128 /nfs/dbraw/zinc/65/51/28/970655128.db2.gz CGGMQNWRFPZPEE-QLFBSQMISA-N 2 0 245.370 1.602 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ncc[nH]1 ZINC000401118609 970659197 /nfs/dbraw/zinc/65/91/97/970659197.db2.gz IWIDAJDCWBMVNC-FIQHERPVSA-N 2 0 234.347 1.448 20 0 BDADRP C[NH+]1CC(CNc2ccc(C3([NH3+])CCC3)cc2)C1 ZINC001170255050 970669663 /nfs/dbraw/zinc/66/96/63/970669663.db2.gz XGQKMPPRTSTBHG-UHFFFAOYSA-N 2 0 245.370 1.998 20 0 BDADRP C[N@@H+]1C[C@H]2CCCN(C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001256209484 970714913 /nfs/dbraw/zinc/71/49/13/970714913.db2.gz WWMYIKVGCUSDIU-TZMCWYRMSA-N 2 0 237.391 1.107 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CO1 ZINC000401858524 970737640 /nfs/dbraw/zinc/73/76/40/970737640.db2.gz HFXCGTZALAWLJT-GRYCIOLGSA-N 2 0 224.348 1.238 20 0 BDADRP CC(C)CC[C@H](C)[NH2+]CCN(C)CC[NH3+] ZINC001256357991 970757218 /nfs/dbraw/zinc/75/72/18/970757218.db2.gz OGEZGROFMSACIJ-LBPRGKRZSA-N 2 0 215.385 1.291 20 0 BDADRP C[C@H]1[C@H]([NH3+])CCCN1c1ccc2c(n1)CC[NH2+]C2 ZINC001157731298 970751658 /nfs/dbraw/zinc/75/16/58/970751658.db2.gz BCHVUPTVBWOXGB-CMPLNLGQSA-N 2 0 246.358 1.043 20 0 BDADRP C[C@@H](C[NH+](C)C)OC1CC[NH+](C)CC1 ZINC001222504765 972534451 /nfs/dbraw/zinc/53/44/51/972534451.db2.gz YUESFAXSQULWTL-JTQLQIEISA-N 2 0 200.326 1.047 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH+]2CCC(F)(C[NH3+])CC2)C1 ZINC001222528593 972549326 /nfs/dbraw/zinc/54/93/26/972549326.db2.gz XRSLGYYVXXYWBM-GFCCVEGCSA-N 3 0 243.370 1.091 20 0 BDADRP [NH3+]CCCCCC[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222532084 972549847 /nfs/dbraw/zinc/54/98/47/972549847.db2.gz JUQPSXHICYMMGB-UHFFFAOYSA-N 3 0 231.359 1.268 20 0 BDADRP CC[C@H](CC(C)C)[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246542294 972569110 /nfs/dbraw/zinc/56/91/10/972569110.db2.gz JUBOINHMJSBREZ-ZIAGYGMSSA-N 2 0 242.407 1.987 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1cnc2ccccn12 ZINC001327416920 972571664 /nfs/dbraw/zinc/57/16/64/972571664.db2.gz VQJFJGQUDRLXPF-LLVKDONJSA-N 2 0 232.331 1.279 20 0 BDADRP CC[C@@H]1C[C@@H](N2CCCC[C@H]2C[NH3+])CC[NH2+]1 ZINC001246542452 972577772 /nfs/dbraw/zinc/57/77/72/972577772.db2.gz QNAJKCNNLARMHO-AGIUHOORSA-N 2 0 225.380 1.330 20 0 BDADRP C[C@H]1C[N@@H+]([C@H]2CCO[C@@H](C)C2)C[C@H]1C[NH3+] ZINC001246542524 972585039 /nfs/dbraw/zinc/58/50/39/972585039.db2.gz QBENWURXWAKFGV-YFKTTZPYSA-N 2 0 212.337 1.081 20 0 BDADRP C[C@@H](CC(F)(F)F)[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246543078 972589991 /nfs/dbraw/zinc/58/99/91/972589991.db2.gz SHZRELBHETYGSS-XHNCKOQMSA-N 2 0 224.270 1.854 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@](F)(C[NH3+])CC2)CC[NH2+]1 ZINC001246545286 972627720 /nfs/dbraw/zinc/62/77/20/972627720.db2.gz ASNPHBOTKZCUNO-FRRDWIJNSA-N 3 0 243.370 1.280 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCCC[C@](C)(O)C2)CC[NH2+]1 ZINC001246548271 972682284 /nfs/dbraw/zinc/68/22/84/972682284.db2.gz JYPVBDCPYCPAND-UPJWGTAASA-N 2 0 226.364 1.364 20 0 BDADRP C[NH2+]C[C@H]1CCCN([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246549906 972699475 /nfs/dbraw/zinc/69/94/75/972699475.db2.gz KXSPNYLKJLWUGK-UPJWGTAASA-N 2 0 225.380 1.058 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(O)cn1)CC2 ZINC001144263422 972735765 /nfs/dbraw/zinc/73/57/65/972735765.db2.gz ZBRCWWRCLCOXPT-UHFFFAOYSA-N 2 0 247.342 1.315 20 0 BDADRP C[C@@H]1C[C@H](N2CC[C@H](C)[C@H](C[NH3+])C2)CC[NH2+]1 ZINC001246555324 972757038 /nfs/dbraw/zinc/75/70/38/972757038.db2.gz XHFZIFVNYFAUKL-UMSGYPCISA-N 2 0 225.380 1.044 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CC(C)(C)C1 ZINC001246558377 972778489 /nfs/dbraw/zinc/77/84/89/972778489.db2.gz LFDVAULTUBDDND-FDYHWXHSSA-N 2 0 240.391 1.595 20 0 BDADRP C[C@@H]1CC[C@@H](CN)[N@@H+]([C@H]2CCC3(C[NH2+]C3)C2)C1 ZINC001246558481 972778393 /nfs/dbraw/zinc/77/83/93/972778393.db2.gz QIMBFKPUARULJU-AGIUHOORSA-N 2 0 237.391 1.188 20 0 BDADRP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(N)c1 ZINC001276861684 972837287 /nfs/dbraw/zinc/83/72/87/972837287.db2.gz RRTBDACKYSODRB-GOOCMWNKSA-N 2 0 245.370 1.984 20 0 BDADRP C[C@]1(C[NH3+])CCCN([C@@H]2CCCC[NH2+]C2)CC1 ZINC001246577810 972895180 /nfs/dbraw/zinc/89/51/80/972895180.db2.gz PXWSIAFVBRIZBN-KGLIPLIRSA-N 2 0 239.407 1.579 20 0 BDADRP C[C@@H]1C[N@@H+]([C@H]2CCC[C@@]3(CC[NH2+]C3)C2)CCN1 ZINC001246578476 972899106 /nfs/dbraw/zinc/89/91/06/972899106.db2.gz VKLPDSQLYVPGLA-HZSPNIEDSA-N 2 0 237.391 1.202 20 0 BDADRP [NH3+]C[C@@]1(F)CCCCN([C@H]2CCC[NH2+]CC2)C1 ZINC001246581519 972934524 /nfs/dbraw/zinc/93/45/24/972934524.db2.gz QHLDXYARAWPTGZ-STQMWFEESA-N 2 0 243.370 1.281 20 0 BDADRP C[C@@H]1C[C@H](N2CCCC[C@](F)(C[NH3+])C2)CC[NH2+]1 ZINC001246582187 972944294 /nfs/dbraw/zinc/94/42/94/972944294.db2.gz RIHXGEIVJAFOHR-UPJWGTAASA-N 2 0 243.370 1.280 20 0 BDADRP CCC[NH+]1CCC(N2C[C@H](F)C[C@H]([NH3+])C2)CC1 ZINC001246585105 972974846 /nfs/dbraw/zinc/97/48/46/972974846.db2.gz NBVBHUHQEDANCP-NEPJUHHUSA-N 2 0 243.370 1.232 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](C)N1[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246587828 972980860 /nfs/dbraw/zinc/98/08/60/972980860.db2.gz UZNMUFMDQZHACK-FRRDWIJNSA-N 2 0 237.391 1.343 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2CC[NH2+]C[C@@H](F)C2)CC[NH2+]1 ZINC001246598862 973021641 /nfs/dbraw/zinc/02/16/41/973021641.db2.gz OXLCUHZLRTUWQC-UPJWGTAASA-N 2 0 243.370 1.006 20 0 BDADRP C1C[NH2+][C@]2(C1)CCCN([C@H]1CCCC[NH2+]C1)C2 ZINC001246615662 973036771 /nfs/dbraw/zinc/03/67/71/973036771.db2.gz DUAHYXNNEAGSQU-UONOGXRCSA-N 2 0 237.391 1.347 20 0 BDADRP C[C@@H]1C[C@H](N2CCC[C@]3(CCC[NH2+]C3)C2)C[NH2+]1 ZINC001246614444 973038195 /nfs/dbraw/zinc/03/81/95/973038195.db2.gz SZEQNJCZVBGQNW-RDBSUJKOSA-N 2 0 237.391 1.202 20 0 BDADRP C1[NH2+]CC12CCCN2[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246640517 973060563 /nfs/dbraw/zinc/06/05/63/973060563.db2.gz DTCQHACLEOGOMB-ZIAGYGMSSA-N 2 0 249.402 1.347 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2CC[C@H]3C[C@@]3([NH3+])C2)CC[NH2+]1 ZINC001246657641 973068534 /nfs/dbraw/zinc/06/85/34/973068534.db2.gz OZNCQPDOGVOLLY-RFQIPJPRSA-N 2 0 237.391 1.186 20 0 BDADRP CC[C@@H]1C[C@@H](N2C[C@H]3CCC[C@@]3([NH3+])C2)CC[NH2+]1 ZINC001246668623 973074524 /nfs/dbraw/zinc/07/45/24/973074524.db2.gz ZVNYGVMBQLWPFF-YIYPIFLZSA-N 2 0 237.391 1.330 20 0 BDADRP CC(C)(C)[C@@H]1C[C@H](N2C[C@H]3C[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC001246676546 973080920 /nfs/dbraw/zinc/08/09/20/973080920.db2.gz JDDVDTKVLOTLAI-XQHKEYJVSA-N 2 0 237.391 1.199 20 0 BDADRP CO[C@H]1CCC[C@@H]2C[N@@H+](C3CC[NH2+]CC3)C[C@@H]21 ZINC001246756823 973090160 /nfs/dbraw/zinc/09/01/60/973090160.db2.gz AECWNZVYTPADFE-XBFCOCLRSA-N 2 0 238.375 1.485 20 0 BDADRP CCOCC[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001328492731 973099248 /nfs/dbraw/zinc/09/92/48/973099248.db2.gz PEXZBTLKINMRLK-UHFFFAOYSA-N 2 0 226.364 1.489 20 0 BDADRP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)[C@@H]1C ZINC001246825097 973123846 /nfs/dbraw/zinc/12/38/46/973123846.db2.gz UCJVQJKUDVHCJW-ZYHUDNBSSA-N 2 0 240.347 1.012 20 0 BDADRP CN(C1C[NH2+]C1)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246834270 973132451 /nfs/dbraw/zinc/13/24/51/973132451.db2.gz TURWHLJCQQOEEK-JQWIXIFHSA-N 2 0 225.380 1.057 20 0 BDADRP C[NH2+]Cc1c(C)nn([C@@H]2CC[C@H](C)[NH2+]C2)c1C ZINC001246845957 973150703 /nfs/dbraw/zinc/15/07/03/973150703.db2.gz MLIFOMGPKNIPPW-JOYOIKCWSA-N 2 0 236.363 1.532 20 0 BDADRP c1cn([C@@H]2CCC[NH2+]C2)c([C@H]2CCC[NH2+]C2)n1 ZINC001246849753 973151350 /nfs/dbraw/zinc/15/13/50/973151350.db2.gz RWFILFDKAPTDKG-NWDGAFQWSA-N 2 0 234.347 1.275 20 0 BDADRP C1[NH2+]CC12C[C@H]([NH+]1CC3(C1)CCCCC3)CCN2 ZINC001246858842 973169336 /nfs/dbraw/zinc/16/93/36/973169336.db2.gz IQYBEUPZQDFRFF-CYBMUJFWSA-N 2 0 249.402 1.347 20 0 BDADRP Cc1nc(N2CCCC2)cc(NC/C=C/C[NH3+])[nH+]1 ZINC001160976867 973192014 /nfs/dbraw/zinc/19/20/14/973192014.db2.gz LZNMTHMEABCYBL-NSCUHMNNSA-N 2 0 247.346 1.312 20 0 BDADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CC=C(C)C ZINC001146704681 973207462 /nfs/dbraw/zinc/20/74/62/973207462.db2.gz FWNCNALAXBOSTN-UHFFFAOYSA-N 2 0 241.379 1.000 20 0 BDADRP C[C@H]1CN([C@H]2CC[NH2+]C3(CCC3)C2)[C@@H](C)C[NH2+]1 ZINC001246875450 973304981 /nfs/dbraw/zinc/30/49/81/973304981.db2.gz VYPNENKGQUOMLV-AVGNSLFASA-N 2 0 237.391 1.343 20 0 BDADRP CCC[C@H](CC)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001246896508 973349111 /nfs/dbraw/zinc/34/91/11/973349111.db2.gz GIYBPWGZICNBML-STQMWFEESA-N 2 0 240.391 1.754 20 0 BDADRP CCC[C@H]1CN([C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC001246904207 973397075 /nfs/dbraw/zinc/39/70/75/973397075.db2.gz SXZBSNOOPSEVNL-CRWXNKLISA-N 2 0 237.391 1.343 20 0 BDADRP C[C@@H]1CC[C@H](N(C)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246908965 973412917 /nfs/dbraw/zinc/41/29/17/973412917.db2.gz HJZCSSDMJKUFFH-LPWJVIDDSA-N 2 0 225.380 1.329 20 0 BDADRP C[C@@H]1C[C@H](N(C)[C@H]2CCCC[C@@H]2[NH3+])CC[NH2+]1 ZINC001246914630 973443231 /nfs/dbraw/zinc/44/32/31/973443231.db2.gz UFKHWFATUWQIEW-NDBYEHHHSA-N 2 0 225.380 1.329 20 0 BDADRP C1[C@H]2C[NH2+]C[C@H]2N1C1CCC2(CCC[NH2+]C2)CC1 ZINC001246921346 973516330 /nfs/dbraw/zinc/51/63/30/973516330.db2.gz RYVAGMOPXPIYRU-FEWQNLEASA-N 2 0 249.402 1.202 20 0 BDADRP CC[C@@H]1C[C@@H](N2C[C@H]3C[NH2+][C@@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246921588 973519354 /nfs/dbraw/zinc/51/93/54/973519354.db2.gz SUCWOAKGXWSKET-RKQHYHRCSA-N 2 0 237.391 1.199 20 0 BDADRP O[C@@H](C[NH2+][C@H]1C=CCCC1)C[NH+]1CCCC1 ZINC001329223767 973570879 /nfs/dbraw/zinc/57/08/79/973570879.db2.gz UZIIJZPUFVDBHI-STQMWFEESA-N 2 0 224.348 1.141 20 0 BDADRP C[NH+]1CCC(COC2CC[NH+](C)CC2)CC1 ZINC001224450990 973653318 /nfs/dbraw/zinc/65/33/18/973653318.db2.gz RAIBFTDTDCGSTC-UHFFFAOYSA-N 2 0 226.364 1.439 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](OCC2CC[NH+](C)CC2)C1 ZINC001224455782 973659549 /nfs/dbraw/zinc/65/95/49/973659549.db2.gz WDBWIDYEYRHOSJ-CQSZACIVSA-N 2 0 240.391 1.828 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)CCSC ZINC000234738426 973733326 /nfs/dbraw/zinc/73/33/26/973733326.db2.gz ZSZJCTXLZAVNCO-WDEREUQCSA-N 2 0 234.409 1.472 20 0 BDADRP C[C@H](C(=O)N[C@@H](C)CCCC[NH3+])n1ccnc1 ZINC001329569695 973832515 /nfs/dbraw/zinc/83/25/15/973832515.db2.gz OOEMFPGILWCKDF-WDEREUQCSA-N 2 0 238.335 1.078 20 0 BDADRP [NH3+]CCc1ccccc1NC[C@@H]1CCCC[NH2+]1 ZINC001171334132 973863202 /nfs/dbraw/zinc/86/32/02/973863202.db2.gz GIDUFUFRJOIEKH-ZDUSSCGKSA-N 2 0 233.359 1.742 20 0 BDADRP Cc1cc(Nc2nccnc2C[NH3+])cc(C)[nH+]1 ZINC001171447748 974069604 /nfs/dbraw/zinc/06/96/04/974069604.db2.gz MQJCQQSBRJIBEV-UHFFFAOYSA-N 2 0 229.287 1.113 20 0 BDADRP C[C@H](C[NH3+])CNC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171626098 974120191 /nfs/dbraw/zinc/12/01/91/974120191.db2.gz VQYLXQMUUVXXFI-LLVKDONJSA-N 2 0 241.423 1.822 20 0 BDADRP C[NH+](C)CCCCO[C@@H]1C[NH+]2CCC1CC2 ZINC001224991640 974124465 /nfs/dbraw/zinc/12/44/65/974124465.db2.gz XXSVLPBPRDZILS-CYBMUJFWSA-N 2 0 226.364 1.439 20 0 BDADRP C[C@H]1C[C@@H](NC=[NH2+])C[N@@H+]1Cc1ccccc1 ZINC001171726002 974139016 /nfs/dbraw/zinc/13/90/16/974139016.db2.gz REHHBMWYLDEBIP-WCQYABFASA-N 2 0 217.316 1.846 20 0 BDADRP C[C@H]1C[C@@H](NOCC[NH3+])C[N@@H+]1Cc1ccccc1 ZINC001171726598 974142002 /nfs/dbraw/zinc/14/20/02/974142002.db2.gz YOELVLBONYBIDD-GXTWGEPZSA-N 2 0 249.358 1.129 20 0 BDADRP CC1(C[N@@H+]2CC[C@H](N)[C@@H](F)CC2)CC[NH2+]CC1 ZINC001206152849 974237247 /nfs/dbraw/zinc/23/72/47/974237247.db2.gz BPJMOQGGYYZCSA-RYUDHWBXSA-N 2 0 243.370 1.137 20 0 BDADRP N[C@H]1CC[N@H+](CCCCCC[NH3+])CC[C@@H]1F ZINC001206155616 974328905 /nfs/dbraw/zinc/32/89/05/974328905.db2.gz MSMVOEWECXMDKP-RYUDHWBXSA-N 3 0 231.359 1.267 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCC(C)(C)O)C2 ZINC001172101856 974362328 /nfs/dbraw/zinc/36/23/28/974362328.db2.gz CFXMVEJAZQGAJJ-XYYAHUGASA-N 2 0 240.391 1.752 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1CSC1)C2 ZINC001172105111 974364269 /nfs/dbraw/zinc/36/42/69/974364269.db2.gz GWEADSNOTMJAFE-CLLJXQQHSA-N 2 0 240.416 1.954 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](n1cc(CC[NH3+])cn1)C2 ZINC001172106034 974366344 /nfs/dbraw/zinc/36/63/44/974366344.db2.gz MOCOMONQAKBCFW-BTTYYORXSA-N 2 0 248.374 1.572 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@H]1C[C@@H](O)C1)C2 ZINC001172106200 974367867 /nfs/dbraw/zinc/36/78/67/974367867.db2.gz NKLGYSNDRFPFJO-WZNRFSEPSA-N 2 0 238.375 1.362 20 0 BDADRP Cc1cc(C[NH3+])nn1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172103598 974370535 /nfs/dbraw/zinc/37/05/35/974370535.db2.gz WEDUYYSWUQHXTF-BTTYYORXSA-N 2 0 248.374 1.838 20 0 BDADRP N[C@H]1CC[N@H+](CCC23CC([NH3+])(C2)C3)CC[C@@H]1F ZINC001206157178 974376119 /nfs/dbraw/zinc/37/61/19/974376119.db2.gz XATFJFVOZTXADS-ZSVAQUKISA-N 2 0 241.354 1.019 20 0 BDADRP C[N@@H+]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001172217259 974441511 /nfs/dbraw/zinc/44/15/11/974441511.db2.gz BBLSNQZHDPNLDP-ODWCKFRGSA-N 2 0 224.348 1.238 20 0 BDADRP C[N@@H+]1CC[C@H](C[NH2+]C2C[C@@H]3C=C[C@H](C2)O3)C1 ZINC001172229222 974467212 /nfs/dbraw/zinc/46/72/12/974467212.db2.gz SFEWWEMJJMXRAN-ODWCKFRGSA-N 2 0 222.332 1.014 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@H]1CSc2ccccc2C1 ZINC001172199452 974483575 /nfs/dbraw/zinc/48/35/75/974483575.db2.gz FHLFOHIOWHBILN-ZYHUDNBSSA-N 2 0 236.384 1.888 20 0 BDADRP C[N@H+](CC1CC[NH+](C)CC1)[C@@H]1COC(C)(C)C1 ZINC001172287824 974552115 /nfs/dbraw/zinc/55/21/15/974552115.db2.gz PCPHXRYHOUUGCP-ZDUSSCGKSA-N 2 0 240.391 1.828 20 0 BDADRP CCOCC[C@H](C)NC(=[NH2+])SCC[NH3+] ZINC001172410071 974673258 /nfs/dbraw/zinc/67/32/58/974673258.db2.gz FBSBCHLXTOJTPP-QMMMGPOBSA-N 2 0 219.354 1.018 20 0 BDADRP CCOCC[C@H](C)[NH2+]CC12CC[NH+](CC1)CC2 ZINC001172414051 974680628 /nfs/dbraw/zinc/68/06/28/974680628.db2.gz LOUMNDLHMKGGCM-ZDUSSCGKSA-N 2 0 240.391 1.877 20 0 BDADRP CCOCC[C@@H](C)[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001172429731 974711309 /nfs/dbraw/zinc/71/13/09/974711309.db2.gz CGZUPJUYCVARJP-CYBMUJFWSA-N 2 0 240.391 1.829 20 0 BDADRP CC[C@@H](CC(C)C)[NH2+]CCN(C)CC[NH3+] ZINC001172393255 974745251 /nfs/dbraw/zinc/74/52/51/974745251.db2.gz JLBSSFCKDPMXBK-LBPRGKRZSA-N 2 0 215.385 1.291 20 0 BDADRP CC(C)OCC[C@H](C)[NH2+]C[C@@H](C)C[NH3+] ZINC001172439525 974796328 /nfs/dbraw/zinc/79/63/28/974796328.db2.gz FEYGSTPYWSIBRY-QWRGUYRKSA-N 2 0 202.342 1.374 20 0 BDADRP CC(C)COCC[C@@H](C)[NH2+]CCSCC[NH3+] ZINC001172463353 974828953 /nfs/dbraw/zinc/82/89/53/974828953.db2.gz MSEWVWQLARYDDK-GFCCVEGCSA-N 2 0 248.436 1.719 20 0 BDADRP Cc1ccc2c(c1)C[C@H]([NH2+]CCOCC[NH3+])CC2 ZINC001172836525 974951651 /nfs/dbraw/zinc/95/16/51/974951651.db2.gz VDSBNJIOEBSCPB-OAHLLOKOSA-N 2 0 248.370 1.417 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]CCSCC[NH3+])C1 ZINC001172927628 974974640 /nfs/dbraw/zinc/97/46/40/974974640.db2.gz YWZHRLGBLJVOHX-WDEREUQCSA-N 2 0 232.393 1.226 20 0 BDADRP CO[C@H]1CCC[C@H]([N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC001172941970 974996808 /nfs/dbraw/zinc/99/68/08/974996808.db2.gz HJHSIPCQFSTRST-CRWXNKLISA-N 2 0 238.375 1.437 20 0 BDADRP C[NH+](C)[C@H]1CC[C@H](Oc2cc[nH+]c(N)c2)CC1 ZINC001226657424 975005219 /nfs/dbraw/zinc/00/52/19/975005219.db2.gz PNTIUZACUVOFMS-XYPYZODXSA-N 2 0 235.331 1.915 20 0 BDADRP Cc1nc(NCC(C)(C)[NH3+])cc(N(C)C)[nH+]1 ZINC000258798711 975009508 /nfs/dbraw/zinc/00/95/08/975009508.db2.gz SWBGJLVBKNTTNK-UHFFFAOYSA-N 2 0 223.324 1.000 20 0 BDADRP CC[NH+](CC)C1CCC([NH2+]CCOC)CC1 ZINC001173103380 975021477 /nfs/dbraw/zinc/02/14/77/975021477.db2.gz AJCDUNXEPPMVML-UHFFFAOYSA-N 2 0 228.380 1.875 20 0 BDADRP C[C@@H](C[NH3+])C[N@H+](C)[C@@H]1CCc2ncsc2C1 ZINC001173131946 975042408 /nfs/dbraw/zinc/04/24/08/975042408.db2.gz NRUATEIRGRDQBF-VHSXEESVSA-N 2 0 239.388 1.527 20 0 BDADRP C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC001332287765 975042713 /nfs/dbraw/zinc/04/27/13/975042713.db2.gz KKRKLTNWAJENQZ-UTUOFQBUSA-N 2 0 241.379 1.008 20 0 BDADRP CCC[C@@H](O)CC[NH2+]C1CCC(C[NH3+])CC1 ZINC001332422631 975110333 /nfs/dbraw/zinc/11/03/33/975110333.db2.gz XVXUITDTPHFEDJ-WXRRBKDZSA-N 2 0 228.380 1.645 20 0 BDADRP CC[C@]1(C(=O)NCCCCCC[NH3+])CC[NH2+]C1 ZINC001332450304 975131825 /nfs/dbraw/zinc/13/18/25/975131825.db2.gz NJYCKRIWGPTWBV-ZDUSSCGKSA-N 2 0 241.379 1.011 20 0 BDADRP CC[C@@H]1CC[C@H]([NH2+]CCN(C)CC[NH3+])C1 ZINC001173274962 975155926 /nfs/dbraw/zinc/15/59/26/975155926.db2.gz RQYNFZJMHCZJEY-NEPJUHHUSA-N 2 0 213.369 1.045 20 0 BDADRP [NH3+]C[C@H](O)C[NH2+][C@H]1CCCC2(CCCCC2)C1 ZINC001173339313 975283690 /nfs/dbraw/zinc/28/36/90/975283690.db2.gz NMPDYTOHPPLPFH-STQMWFEESA-N 2 0 240.391 1.789 20 0 BDADRP Cc1cccnc1C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC001332816927 975289567 /nfs/dbraw/zinc/28/95/67/975289567.db2.gz ZOWWKRHDPZUFFI-CHWSQXEVSA-N 2 0 233.359 1.807 20 0 BDADRP CCN1CC[C@@H]([NH2+]CCCCC[NH+](C)C)C1 ZINC001173351715 975301006 /nfs/dbraw/zinc/30/10/06/975301006.db2.gz YICPNSKUAUKFKU-CYBMUJFWSA-N 2 0 227.396 1.402 20 0 BDADRP CCN1CC[C@H]([NH2+]C2CCC(CC[NH3+])CC2)C1 ZINC001173354339 975311454 /nfs/dbraw/zinc/31/14/54/975311454.db2.gz ZMHFTFWTPKFDKN-RUXDESIVSA-N 2 0 239.407 1.578 20 0 BDADRP CC[N@@H+]1CC[C@H](N2CC[NH+]3CCCC[C@@H]3C2)C1 ZINC001173362428 975340141 /nfs/dbraw/zinc/34/01/41/975340141.db2.gz HBQUPSOPLBNRDG-KGLIPLIRSA-N 2 0 237.391 1.251 20 0 BDADRP CCN1CC[C@H]([N@@H+]2C[C@H]3CCCN(C)[C@@H]3C2)C1 ZINC001173366725 975350347 /nfs/dbraw/zinc/35/03/47/975350347.db2.gz BJNDDSFNIKZKRU-HZSPNIEDSA-N 2 0 237.391 1.107 20 0 BDADRP COC(=O)CCCC[C@H](C)[N@H+](C)C[C@H](C)C[NH3+] ZINC001173444544 975386407 /nfs/dbraw/zinc/38/64/07/975386407.db2.gz KLAKAHNNFNSBNP-NEPJUHHUSA-N 2 0 244.379 1.635 20 0 BDADRP CC1(C)CCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC001333529597 975830309 /nfs/dbraw/zinc/83/03/09/975830309.db2.gz OPCQYEUNLNUYRM-GFCCVEGCSA-N 2 0 238.375 1.487 20 0 BDADRP C[NH2+]C[C@H](C)CN[C@@H]1CC[NH2+]C12CCCC2 ZINC001334389751 976487407 /nfs/dbraw/zinc/48/74/07/976487407.db2.gz JGVMZXCYSCOZSM-NWDGAFQWSA-N 2 0 225.380 1.106 20 0 BDADRP C[C@H](C[NH3+])C[N@H+](C)[C@@H]1CCO[C@H](C)C1 ZINC000721409587 976626617 /nfs/dbraw/zinc/62/66/17/976626617.db2.gz IENPGKILGLVKHE-GMTAPVOTSA-N 2 0 200.326 1.081 20 0 BDADRP Cc1c[nH+]ccc1Nc1cnn(CC[NH+](C)C)c1 ZINC001174536220 976816515 /nfs/dbraw/zinc/81/65/15/976816515.db2.gz NHCWABJSXPLJJL-UHFFFAOYSA-N 2 0 245.330 1.314 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+]C[C@@H](O)C2CC2)CC1 ZINC001335398220 977027726 /nfs/dbraw/zinc/02/77/26/977027726.db2.gz MDQUSARCGHHALX-GFCCVEGCSA-N 2 0 226.364 1.079 20 0 BDADRP C[NH2+]C[C@H](C)CNc1nc(N)[nH+]c2c1CCCC2 ZINC001335854799 977325901 /nfs/dbraw/zinc/32/59/01/977325901.db2.gz XNRQYNFIJVGTFL-VIFPVBQESA-N 2 0 249.362 1.205 20 0 BDADRP C[NH2+][C@H](C)CCN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC001336264049 977607984 /nfs/dbraw/zinc/60/79/84/977607984.db2.gz XHVDUYAWKYOXSK-VXGBXAGGSA-N 2 0 227.396 1.352 20 0 BDADRP CC[C@@H](CNc1cc[nH+]c(CO)c1)[NH+]1CCCC1 ZINC001336460778 977695275 /nfs/dbraw/zinc/69/52/75/977695275.db2.gz BDEBSOWHPGBYSM-AWEZNQCLSA-N 2 0 249.358 1.860 20 0 BDADRP Cn1c[nH+]cc1Nc1ccc(C[NH3+])cc1 ZINC001175966371 977836947 /nfs/dbraw/zinc/83/69/47/977836947.db2.gz NSMANNWJJXVMMG-UHFFFAOYSA-N 2 0 202.261 1.622 20 0 BDADRP C[C@H]1CC[C@@H](CO)[N@@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232012297 977837523 /nfs/dbraw/zinc/83/75/23/977837523.db2.gz YFAVSHUFFROFKO-GWCFXTLKSA-N 2 0 245.326 1.908 20 0 BDADRP C[C@H]1C[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C[C@H]1O ZINC001232010786 977837886 /nfs/dbraw/zinc/83/78/86/977837886.db2.gz AQKSWYYGSLWTHW-TVQRCGJNSA-N 2 0 231.299 1.376 20 0 BDADRP c1c(C[N@@H+]2CCC3(COC3)C2)[nH]c2cc[nH+]cc12 ZINC001232012833 977841300 /nfs/dbraw/zinc/84/13/00/977841300.db2.gz UBQDROCADNULNB-UHFFFAOYSA-N 2 0 243.310 1.785 20 0 BDADRP CC(C)C[N@H+](C)CCC[NH2+]C[C@H](O)C1CC1 ZINC001336800189 977967937 /nfs/dbraw/zinc/96/79/37/977967937.db2.gz PRJIBWIZGQAPML-ZDUSSCGKSA-N 2 0 228.380 1.325 20 0 BDADRP C[C@H](O)[C@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001176281681 978008567 /nfs/dbraw/zinc/00/85/67/978008567.db2.gz ONYITLPOOFENAP-AGIUHOORSA-N 2 0 249.358 1.361 20 0 BDADRP C[NH+](C)CCO[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001206272998 978059003 /nfs/dbraw/zinc/05/90/03/978059003.db2.gz LIGPBAXESZTBSZ-GDNZZTSVSA-N 2 0 212.337 1.190 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](OCC[NH+](C)C)C1 ZINC001206278354 978145953 /nfs/dbraw/zinc/14/59/53/978145953.db2.gz LWDVEBMMHZCFHB-NSHDSACASA-N 2 0 200.326 1.047 20 0 BDADRP CC[N@@H+]1CC[C@@H](NC[C@@H]2CCC[NH+](C)C2)C1 ZINC000328202060 978204782 /nfs/dbraw/zinc/20/47/82/978204782.db2.gz SEEPTPOQGYXJDX-QWHCGFSZSA-N 2 0 225.380 1.012 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@H+](CCCCC[NH3+])CC1 ZINC001206293950 978295863 /nfs/dbraw/zinc/29/58/63/978295863.db2.gz IBJCURVKKATKKD-CYBMUJFWSA-N 3 0 227.396 1.566 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@H+](C[C@@H]2CCCOC2)CC1 ZINC001206297524 978317645 /nfs/dbraw/zinc/31/76/45/978317645.db2.gz YTJRDHZEMUPKGW-UONOGXRCSA-N 2 0 240.391 1.864 20 0 BDADRP COCC(C)(C)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001337665671 978449961 /nfs/dbraw/zinc/44/99/61/978449961.db2.gz VCLKGEPWYGYKCH-UHFFFAOYSA-N 2 0 249.358 1.629 20 0 BDADRP Cn1c[nH+]cc1N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC001277765943 978472634 /nfs/dbraw/zinc/47/26/34/978472634.db2.gz XMGIPRUESGBAIF-ZDUSSCGKSA-N 2 0 234.347 1.342 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@@H](Nc3cc[nH+]c(CO)c3)[C@@H]2C1 ZINC001338296293 978654795 /nfs/dbraw/zinc/65/47/95/978654795.db2.gz HNFMDFSAESNLBX-ZLKJLUDKSA-N 2 0 247.342 1.326 20 0 BDADRP CCC1(C(=O)N(CCCC[NH3+])C(N)=[NH2+])CCC1 ZINC001179026763 978660595 /nfs/dbraw/zinc/66/05/95/978660595.db2.gz IUXSBZKLZCQHIA-UHFFFAOYSA-N 2 0 240.351 1.028 20 0 BDADRP CC[C@@H](C)[N@@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001277806784 978682493 /nfs/dbraw/zinc/68/24/93/978682493.db2.gz ICDAZSWURHBDRS-RDBSUJKOSA-N 2 0 239.407 1.495 20 0 BDADRP [NH3+][C@H]1C[C@H](F)CN(CCC[NH+]2CCCCC2)C1 ZINC001206404835 978774707 /nfs/dbraw/zinc/77/47/07/978774707.db2.gz NFEOXMZYCPJLQY-STQMWFEESA-N 2 0 243.370 1.234 20 0 BDADRP C[NH+]1CCC(CCN2C[C@H](F)C[C@H]([NH3+])C2)CC1 ZINC001206405121 978799825 /nfs/dbraw/zinc/79/98/25/978799825.db2.gz OSPPZQXKUZKIGC-OLZOCXBDSA-N 2 0 243.370 1.089 20 0 BDADRP CCN1CC(Oc2cccc3c2CC[N@H+](C)C3)C1 ZINC001234420373 978831954 /nfs/dbraw/zinc/83/19/54/978831954.db2.gz RATRASZGHJEBEE-UHFFFAOYSA-N 2 0 246.354 1.757 20 0 BDADRP CC(C)C[C@H](C[NH3+])NC(=O)c1ccccc1C[NH3+] ZINC001339716993 978898149 /nfs/dbraw/zinc/89/81/49/978898149.db2.gz WXBXCQFXNRPUHD-GFCCVEGCSA-N 2 0 249.358 1.249 20 0 BDADRP CC(=O)[C@@H](C)[NH+]1CCC2(CCC[N@H+](C)C2)CC1 ZINC001277889431 978903776 /nfs/dbraw/zinc/90/37/76/978903776.db2.gz PJDQNBFSJQFPNA-GFCCVEGCSA-N 2 0 238.375 1.772 20 0 BDADRP C(CN1CC[C@@H]2[NH2+]CC[C@H]21)C[NH+]1CCCCC1 ZINC001235036720 978954409 /nfs/dbraw/zinc/95/44/09/978954409.db2.gz AZOGQGUXVJLIIX-UONOGXRCSA-N 2 0 237.391 1.299 20 0 BDADRP [NH3+]Cc1ccc(CN2CC[C@@H]3[NH2+]CC[C@H]32)cc1 ZINC001235043660 978960808 /nfs/dbraw/zinc/96/08/08/978960808.db2.gz FSBZKCNPGZVIKP-UONOGXRCSA-N 2 0 231.343 1.082 20 0 BDADRP C[NH2+]CCCN1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235042231 978961181 /nfs/dbraw/zinc/96/11/81/978961181.db2.gz WMETYLIQLNMSKC-CYBMUJFWSA-N 2 0 225.380 1.204 20 0 BDADRP C[NH+]1CCC(CCN2CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001235076437 978971015 /nfs/dbraw/zinc/97/10/15/978971015.db2.gz LNJNTJVGFFBSIY-ZIAGYGMSSA-N 2 0 237.391 1.155 20 0 BDADRP OCCCC[N@@H+]1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001235092057 978973530 /nfs/dbraw/zinc/97/35/30/978973530.db2.gz WOINGYPHNWILMS-LLVKDONJSA-N 2 0 248.317 1.080 20 0 BDADRP [NH3+]CCCC[N@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001235088187 978973633 /nfs/dbraw/zinc/97/36/33/978973633.db2.gz CZWQZHRCHUCQOV-AOOOYVTPSA-N 2 0 218.291 1.702 20 0 BDADRP [NH3+]CCCCCCN1CCCCC12C[NH2+]C2 ZINC001235101712 978975285 /nfs/dbraw/zinc/97/52/85/978975285.db2.gz DVZJIWCPGVWZNG-UHFFFAOYSA-N 2 0 225.380 1.333 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)N1CCCC[C@]12CC[NH2+]C2 ZINC001235127507 978980979 /nfs/dbraw/zinc/98/09/79/978980979.db2.gz YZGVOTBVPYXCKY-ZIAGYGMSSA-N 2 0 237.391 1.204 20 0 BDADRP CC[NH2+]CCN1CC(F)(F)CC12CC[NH2+]CC2 ZINC001235133070 978982499 /nfs/dbraw/zinc/98/24/99/978982499.db2.gz MMZNZDVNSKUHDC-UHFFFAOYSA-N 2 0 247.333 1.059 20 0 BDADRP C(C1CC2(C1)CC[NH2+]CC2)N1CC2(C1)CCC[NH2+]2 ZINC001235199189 978995031 /nfs/dbraw/zinc/99/50/31/978995031.db2.gz UTZHDDUJJBCWMV-UHFFFAOYSA-N 2 0 249.402 1.204 20 0 BDADRP C([C@H]1CC[NH2+]1)N1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235230341 979000990 /nfs/dbraw/zinc/00/09/90/979000990.db2.gz AXBJLLAZUAYRKT-ZIAGYGMSSA-N 2 0 237.391 1.202 20 0 BDADRP CC[C@@H]([NH3+])CN1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235234501 979004071 /nfs/dbraw/zinc/00/40/71/979004071.db2.gz YWTZWPAPNPPJLH-ZIAGYGMSSA-N 2 0 239.407 1.578 20 0 BDADRP C(C1CC2(C1)CC[NH2+]CC2)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001235292732 979018776 /nfs/dbraw/zinc/01/87/76/979018776.db2.gz IRWFGSPLTPBYOH-KBPBESRZSA-N 2 0 249.402 1.202 20 0 BDADRP CN(CCC1CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC001235343652 979031325 /nfs/dbraw/zinc/03/13/25/979031325.db2.gz WNPKYKVERFCYCP-ZDUSSCGKSA-N 2 0 225.380 1.060 20 0 BDADRP CN(Cc1ccc(C[NH3+])cc1)[C@H]1CCC[NH2+]C1 ZINC001235342053 979031489 /nfs/dbraw/zinc/03/14/89/979031489.db2.gz HDGDYRRKHCRXEU-AWEZNQCLSA-N 2 0 233.359 1.329 20 0 BDADRP CCOC[C@@]12CCC[C@@H]1C[N@H+](C[C@H](C)[NH3+])C2 ZINC001235493769 979056169 /nfs/dbraw/zinc/05/61/69/979056169.db2.gz ISSAYMYCCUNFON-XQQFMLRXSA-N 2 0 226.364 1.472 20 0 BDADRP CO[C@@H]1CCC[C@@H]2C[N@H+](C[C@H](C)[NH3+])C[C@@H]21 ZINC001235624971 979105550 /nfs/dbraw/zinc/10/55/50/979105550.db2.gz NJTMXPRVEXGUBU-WHOHXGKFSA-N 2 0 212.337 1.081 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](CNCc2cccnc2N)C1 ZINC001181471087 979117241 /nfs/dbraw/zinc/11/72/41/979117241.db2.gz BPAVSOQAEDDEJD-GFCCVEGCSA-N 2 0 248.374 1.484 20 0 BDADRP OCC[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001235680660 979119729 /nfs/dbraw/zinc/11/97/29/979119729.db2.gz VPPVXZXCYZXTNX-ZDUSSCGKSA-N 2 0 226.364 1.319 20 0 BDADRP C[NH2+]CCC[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC001235701327 979128144 /nfs/dbraw/zinc/12/81/44/979128144.db2.gz IFMCLGDEBVHVBI-UHFFFAOYSA-N 3 0 239.407 1.308 20 0 BDADRP [NH3+][C@H](C(=O)Nc1cccc2c1C[NH2+]C2)C1CCC1 ZINC001340883332 979138775 /nfs/dbraw/zinc/13/87/75/979138775.db2.gz ZIUJXVWAGDEODP-ZDUSSCGKSA-N 2 0 245.326 1.356 20 0 BDADRP Fc1ccccc1[C@H]1C[NH2+]CCN1C[C@@H]1CC[NH2+]1 ZINC001235742005 979139618 /nfs/dbraw/zinc/13/96/18/979139618.db2.gz HNIDXCVHJZCNSV-SMDDNHRTSA-N 2 0 249.333 1.134 20 0 BDADRP [NH3+]CCCC[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001235811232 979155023 /nfs/dbraw/zinc/15/50/23/979155023.db2.gz TVBFATITAZRWFH-SECBINFHSA-N 2 0 204.264 1.456 20 0 BDADRP [NH3+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCCCO ZINC001235811639 979158225 /nfs/dbraw/zinc/15/82/25/979158225.db2.gz SXWRLVRURSDIHV-ZSBIGDGJSA-N 2 0 212.337 1.103 20 0 BDADRP COC(C)(C)[C@H]1CCC[N@@H+]1CCCC[NH3+] ZINC001235826799 979163913 /nfs/dbraw/zinc/16/39/13/979163913.db2.gz CCVDJXKHUSGZEW-LLVKDONJSA-N 2 0 214.353 1.615 20 0 BDADRP [NH3+]Cc1ccccc1C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC001340945542 979170924 /nfs/dbraw/zinc/17/09/24/979170924.db2.gz SGXYWPLWRFVABE-JQWIXIFHSA-N 2 0 247.342 1.003 20 0 BDADRP [NH3+]CCN(CC[NH3+])Cc1coc2ccccc12 ZINC001235877929 979177447 /nfs/dbraw/zinc/17/74/47/979177447.db2.gz QDTQXDHGNPSJRA-UHFFFAOYSA-N 2 0 233.315 1.152 20 0 BDADRP [NH3+]CCN(CC[NH3+])CCCC1CCCC1 ZINC001235877515 979177837 /nfs/dbraw/zinc/17/78/37/979177837.db2.gz QFUPOWCIBDTQSN-UHFFFAOYSA-N 2 0 213.369 1.176 20 0 BDADRP CCc1cccc(C)c1CN(CC[NH3+])CC[NH3+] ZINC001235880970 979178291 /nfs/dbraw/zinc/17/82/91/979178291.db2.gz SJRHSZNXVZWPTM-UHFFFAOYSA-N 2 0 235.375 1.277 20 0 BDADRP Cc1ccc2[nH]cc(CN(CC[NH3+])CC[NH3+])c2c1 ZINC001235876671 979178466 /nfs/dbraw/zinc/17/84/66/979178466.db2.gz HLFSYNVIJLBZPH-UHFFFAOYSA-N 2 0 246.358 1.196 20 0 BDADRP C[C@H]1CC[C@H]([NH3+])CN1C[C@@H]([NH3+])c1ccccc1 ZINC001235892392 979185523 /nfs/dbraw/zinc/18/55/23/979185523.db2.gz PIWDYLNVBNFRTN-FPMFFAJLSA-N 2 0 233.359 1.498 20 0 BDADRP C(CN1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@H]1CCCC[NH2+]1 ZINC001235929298 979214027 /nfs/dbraw/zinc/21/40/27/979214027.db2.gz KWNAZKGRRNWQNV-BFHYXJOUSA-N 2 0 237.391 1.060 20 0 BDADRP CC(C)N(CC[NH3+])Cc1ccc2c(c1)C[NH2+]C2 ZINC001235948442 979218884 /nfs/dbraw/zinc/21/88/84/979218884.db2.gz WDBAFRKWNVUAFD-UHFFFAOYSA-N 2 0 233.359 1.459 20 0 BDADRP [NH3+]CCCC[NH+]1CCC(n2ccnc2)CC1 ZINC001235960611 979224867 /nfs/dbraw/zinc/22/48/67/979224867.db2.gz UWGPPQSYVXTGMG-UHFFFAOYSA-N 2 0 222.336 1.259 20 0 BDADRP CCN(Cc1ccc2c(c1)C[NH2+]C2)[C@@H]1CC[NH2+]C1 ZINC001235976058 979240128 /nfs/dbraw/zinc/24/01/28/979240128.db2.gz SCCGESBCVHFCDC-OAHLLOKOSA-N 2 0 245.370 1.474 20 0 BDADRP [NH3+][C@H](CN1C[C@H]2CC[C@]2([NH3+])C1)c1ccccc1 ZINC001235980825 979251619 /nfs/dbraw/zinc/25/16/19/979251619.db2.gz RRMLBLOPGIXLSZ-MCIONIFRSA-N 2 0 231.343 1.110 20 0 BDADRP CCN(CC1CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC001236005102 979289293 /nfs/dbraw/zinc/28/92/93/979289293.db2.gz IWMAFCJOCPUJDQ-CYBMUJFWSA-N 2 0 225.380 1.060 20 0 BDADRP [NH3+][C@@]12CC[C@@H]1CN(Cc1cccc3c[nH+]cn31)C2 ZINC001235997417 979290731 /nfs/dbraw/zinc/29/07/31/979290731.db2.gz ULYBRXKGDWFSQJ-BXUZGUMPSA-N 2 0 242.326 1.257 20 0 BDADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC001341241517 979291670 /nfs/dbraw/zinc/29/16/70/979291670.db2.gz LEPLAJDPMHBIGU-OLZOCXBDSA-N 2 0 249.358 1.176 20 0 BDADRP CCN(C[C@@H]1CCCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC001236003838 979294885 /nfs/dbraw/zinc/29/48/85/979294885.db2.gz ARDWNWITNPKHJC-QWHCGFSZSA-N 2 0 225.380 1.202 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCOC2(CCCCC2)C1 ZINC001236045499 979335546 /nfs/dbraw/zinc/33/55/46/979335546.db2.gz VEEFSUIKLSMVBL-UHFFFAOYSA-N 2 0 226.364 1.760 20 0 BDADRP [NH3+]CCCC[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC001236040539 979336510 /nfs/dbraw/zinc/33/65/10/979336510.db2.gz FIGHKOQEWVDCPN-ZDUSSCGKSA-N 2 0 235.331 1.274 20 0 BDADRP C[C@H]1C[C@@H]([NH3+])CN(Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC001236053329 979341360 /nfs/dbraw/zinc/34/13/60/979341360.db2.gz YOXCDLSKYPRRLF-XHDPSFHLSA-N 2 0 245.370 1.459 20 0 BDADRP [NH3+]CCCCCCN1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236061219 979352197 /nfs/dbraw/zinc/35/21/97/979352197.db2.gz WIQLWNSKFOEOFQ-STQMWFEESA-N 2 0 225.380 1.189 20 0 BDADRP C[C@@H]([NH3+])CN1CCC[C@H]1CC(=O)OC(C)(C)C ZINC001236093403 979384334 /nfs/dbraw/zinc/38/43/34/979384334.db2.gz GVOVGHNLYNQIDB-MNOVXSKESA-N 2 0 242.363 1.530 20 0 BDADRP c1csc([C@@H]2C[NH2+]CCN2C[C@H]2CC[NH2+]2)c1 ZINC001236114987 979392178 /nfs/dbraw/zinc/39/21/78/979392178.db2.gz PTCYFASRDWBWQH-MNOVXSKESA-N 2 0 237.372 1.056 20 0 BDADRP C[NH2+]CCCN1CC[NH2+]C[C@@H]1c1cccs1 ZINC001236115545 979393418 /nfs/dbraw/zinc/39/34/18/979393418.db2.gz RTVVYJUZPVVONA-LLVKDONJSA-N 2 0 239.388 1.304 20 0 BDADRP CCCC[C@H]1CN(C[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC001236135627 979407224 /nfs/dbraw/zinc/40/72/24/979407224.db2.gz PKOYKGMWLLUWMH-OLZOCXBDSA-N 2 0 225.380 1.060 20 0 BDADRP CCN(CC[NH3+])Cc1ccc2c(c1)CC[NH2+]C2 ZINC001236141551 979409471 /nfs/dbraw/zinc/40/94/71/979409471.db2.gz IJSDTUFDUWSBKL-UHFFFAOYSA-N 2 0 233.359 1.113 20 0 BDADRP C[NH2+]CCC(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC001341484312 979429599 /nfs/dbraw/zinc/42/95/99/979429599.db2.gz QVVBDXZRKZKYRY-UHFFFAOYSA-N 2 0 235.331 1.428 20 0 BDADRP CC(C)[C@@H]([NH3+])C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC001341485765 979431263 /nfs/dbraw/zinc/43/12/63/979431263.db2.gz ZOOWZAXSNDVXQP-GFCCVEGCSA-N 2 0 249.358 1.802 20 0 BDADRP CN(C[C@@H]1CCC[NH2+]C1)[C@@]1(C)CCC[NH2+]C1 ZINC001236201828 979448043 /nfs/dbraw/zinc/44/80/43/979448043.db2.gz NQZKYQROULAPSC-OLZOCXBDSA-N 2 0 225.380 1.060 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCC[C@@H]1N ZINC001236210516 979448362 /nfs/dbraw/zinc/44/83/62/979448362.db2.gz DERWOQZFCIEQQF-MELADBBJSA-N 2 0 239.407 1.578 20 0 BDADRP CN(CCCCCC[NH3+])[C@@]1(C)CCC[NH2+]C1 ZINC001236202261 979449634 /nfs/dbraw/zinc/44/96/34/979449634.db2.gz PJOMDNYZECTDQL-ZDUSSCGKSA-N 2 0 227.396 1.579 20 0 BDADRP C(C[NH2+]C1CCCCC1)CN1C[C@H]2C[NH2+][C@H]2C1 ZINC001236280332 979481875 /nfs/dbraw/zinc/48/18/75/979481875.db2.gz CFPVOYXSCRBJNN-OCCSQVGLSA-N 2 0 237.391 1.202 20 0 BDADRP CC[NH2+][C@H](C)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC001341607421 979488070 /nfs/dbraw/zinc/48/80/70/979488070.db2.gz KPMDFKHPXQXINT-SNVBAGLBSA-N 2 0 249.358 1.817 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)N[C@H](C)CCCC[NH3+] ZINC001341677106 979521370 /nfs/dbraw/zinc/52/13/70/979521370.db2.gz YQESGOKCKOZZPS-NEPJUHHUSA-N 2 0 243.395 1.384 20 0 BDADRP c1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)nc1 ZINC001236314016 979524218 /nfs/dbraw/zinc/52/42/18/979524218.db2.gz GATGQHBPVBLHIK-BETUJISGSA-N 2 0 231.343 1.513 20 0 BDADRP CC[C@H](C)C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314151 979525218 /nfs/dbraw/zinc/52/52/18/979525218.db2.gz HZXNBBBZCPXRJX-RWMBFGLXSA-N 2 0 210.365 1.964 20 0 BDADRP Fc1cccnc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236316161 979529361 /nfs/dbraw/zinc/52/93/61/979529361.db2.gz PLRSWSMMTSYUSG-TXEJJXNPSA-N 2 0 249.333 1.652 20 0 BDADRP CCCN(C[C@@H]([NH3+])c1ccccc1)[C@H]1CC[NH2+]C1 ZINC001236321890 979533208 /nfs/dbraw/zinc/53/32/08/979533208.db2.gz GYKLGAABKCKDON-LSDHHAIUSA-N 2 0 247.386 1.760 20 0 BDADRP Nc1cccc2c1CC[N@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC001236354789 979551147 /nfs/dbraw/zinc/55/11/47/979551147.db2.gz LMKNBSKQSCIVPG-LBPRGKRZSA-N 2 0 245.370 1.627 20 0 BDADRP CCN(C[C@@H]1CC[NH2+]C1)C[C@@H]1CCCC[NH2+]1 ZINC001236407579 979583942 /nfs/dbraw/zinc/58/39/42/979583942.db2.gz HLNXCUGZLNIRJX-OLZOCXBDSA-N 2 0 225.380 1.060 20 0 BDADRP CCN(C[C@@H]([NH3+])c1ccccc1)C[C@H]1CC[NH2+]C1 ZINC001236408246 979584218 /nfs/dbraw/zinc/58/42/18/979584218.db2.gz LNJIJUVZLIQKIY-DZGCQCFKSA-N 2 0 247.386 1.618 20 0 BDADRP C[C@H]1[C@H]([NH3+])CCCN1Cc1cccc(C[NH3+])c1 ZINC001236421044 979591616 /nfs/dbraw/zinc/59/16/16/979591616.db2.gz SGLWHAORECHWCT-SMDDNHRTSA-N 2 0 233.359 1.457 20 0 BDADRP C[C@H]1CN(C[C@@H]([NH3+])c2ccccc2)C[C@H](C)[NH2+]1 ZINC001236424611 979597538 /nfs/dbraw/zinc/59/75/38/979597538.db2.gz UUOKUUDVZJSOES-SGMGOOAPSA-N 2 0 233.359 1.369 20 0 BDADRP CC[C@H]([NH3+])CN(CC(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236474262 979599116 /nfs/dbraw/zinc/59/91/16/979599116.db2.gz PPATYQAMCMQGFN-QWHCGFSZSA-N 2 0 227.396 1.434 20 0 BDADRP [NH3+]CCN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001236442196 979601401 /nfs/dbraw/zinc/60/14/01/979601401.db2.gz ZVCKNMUGMSJLDI-HUUCEWRRSA-N 2 0 245.370 1.151 20 0 BDADRP CC(C)(C)C[N@H+](CCCC[NH3+])C1CC[NH2+]CC1 ZINC001236458875 979605088 /nfs/dbraw/zinc/60/50/88/979605088.db2.gz ZKLZJCYRKKZPEN-UHFFFAOYSA-N 3 0 241.423 1.825 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001182702470 979612208 /nfs/dbraw/zinc/61/22/08/979612208.db2.gz BKASCQUNJAQQER-MCIONIFRSA-N 2 0 238.375 1.628 20 0 BDADRP CC[C@H]([NH3+])CN1CCCC[C@](C)(C[NH3+])C1 ZINC001206541717 979645523 /nfs/dbraw/zinc/64/55/23/979645523.db2.gz IFNACGKQOJMWLV-NWDGAFQWSA-N 2 0 213.369 1.175 20 0 BDADRP C[C@H]([NH3+])CN([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236647221 979689472 /nfs/dbraw/zinc/68/94/72/979689472.db2.gz LDJSFBOECMFBDH-WCQYABFASA-N 2 0 225.380 1.330 20 0 BDADRP COCOCCC[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205255697 979738592 /nfs/dbraw/zinc/73/85/92/979738592.db2.gz KJSBSQKKYRHAMT-GFCCVEGCSA-N 2 0 230.352 1.200 20 0 BDADRP C[NH+](C)CC(C)(C)CN1CCC[C@](C)([NH3+])CC1 ZINC001205255786 979739605 /nfs/dbraw/zinc/73/96/05/979739605.db2.gz KWYNLWZNKOBCDM-AWEZNQCLSA-N 2 0 241.423 1.778 20 0 BDADRP CC[C@H]([NH3+])CN(C)C[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001236858272 979765224 /nfs/dbraw/zinc/76/52/24/979765224.db2.gz APIIFMLSSNGELP-GJZGRUSLSA-N 2 0 247.386 1.370 20 0 BDADRP CC1(C)C[NH2+]C[C@@H]1C(=O)Nc1ccccc1C[NH3+] ZINC001342339785 979778962 /nfs/dbraw/zinc/77/89/62/979778962.db2.gz HMKJAUYVILEZMN-LLVKDONJSA-N 2 0 247.342 1.329 20 0 BDADRP C[NH2+]C1(C(=O)Nc2cccc3c2C[NH2+]C3)CCC1 ZINC001342485569 979810120 /nfs/dbraw/zinc/81/01/20/979810120.db2.gz KKHHWFXPCAOOOI-UHFFFAOYSA-N 2 0 245.326 1.370 20 0 BDADRP CC[NH+](CC)CC[C@H](C)NC(=O)[C@H](C)[C@H](C)[NH3+] ZINC001342630283 979844213 /nfs/dbraw/zinc/84/42/13/979844213.db2.gz BDZFHHGRKRHQJF-TUAOUCFPSA-N 2 0 243.395 1.206 20 0 BDADRP COc1cc2c(cn1)CC[N@H+](CCCC[NH3+])C2 ZINC001237204816 979844787 /nfs/dbraw/zinc/84/47/87/979844787.db2.gz UBPHFKWZOMCRDT-UHFFFAOYSA-N 2 0 235.331 1.187 20 0 BDADRP C1=C2[NH2+]CCN(C[C@H]3CCC[NH2+]C3)[C@H]2CCC1 ZINC001237218587 979849691 /nfs/dbraw/zinc/84/96/91/979849691.db2.gz JJUUGQGLLSOTQH-JSGCOSHPSA-N 2 0 235.375 1.328 20 0 BDADRP C1=C2NCC[N@@H+](CC[C@H]3CCC[NH2+]C3)[C@H]2CCC1 ZINC001237220994 979851752 /nfs/dbraw/zinc/85/17/52/979851752.db2.gz URQAAOVYKSKXFA-HIFRSBDPSA-N 2 0 249.402 1.718 20 0 BDADRP [NH3+]CCN1Cc2ccccc2C12CC[NH2+]CC2 ZINC001237305155 979862667 /nfs/dbraw/zinc/86/26/67/979862667.db2.gz SFMSVRIBJFEMOB-UHFFFAOYSA-N 2 0 231.343 1.040 20 0 BDADRP Nc1cc[nH+]cc1CN1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237384747 979881789 /nfs/dbraw/zinc/88/17/89/979881789.db2.gz XWRJBPIAJROFMJ-BXUZGUMPSA-N 2 0 246.358 1.068 20 0 BDADRP c1cnn(CCC[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237384991 979882805 /nfs/dbraw/zinc/88/28/05/979882805.db2.gz ZDGYINNDRCYULW-KBPBESRZSA-N 2 0 248.374 1.347 20 0 BDADRP Cc1ncn(C)c1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205289123 979936637 /nfs/dbraw/zinc/93/66/37/979936637.db2.gz SUXZRWCODKNQID-ZDUSSCGKSA-N 2 0 236.363 1.432 20 0 BDADRP CC(C)CC[NH2+]C[C@@H]1C[NH+]2CCC1CC2 ZINC001184134882 979946589 /nfs/dbraw/zinc/94/65/89/979946589.db2.gz JBYIRCYZXUFNLU-CYBMUJFWSA-N 2 0 210.365 1.964 20 0 BDADRP CCn1nccc1C[NH2+]C[C@@H]1C[NH+]2CCC1CC2 ZINC001184135574 979946848 /nfs/dbraw/zinc/94/68/48/979946848.db2.gz SOSMOKUYPPRUEO-CYBMUJFWSA-N 2 0 248.374 1.334 20 0 BDADRP CC(C)C[C@@H]([NH3+])CC(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC001343684915 980189723 /nfs/dbraw/zinc/18/97/23/980189723.db2.gz AVLOCVXCVBRPFV-IJLUTSLNSA-N 2 0 241.379 1.007 20 0 BDADRP C[NH2+]CCN(C(=O)C[C@H]([NH3+])CC(C)C)C(C)C ZINC001344822006 980476894 /nfs/dbraw/zinc/47/68/94/980476894.db2.gz LLOIEXPKWMTJRN-GFCCVEGCSA-N 2 0 243.395 1.206 20 0 BDADRP C[NH2+][C@H](C)CCN[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC001345481472 980617340 /nfs/dbraw/zinc/61/73/40/980617340.db2.gz CFIUKDADVANOFW-WZRBSPASSA-N 2 0 225.380 1.057 20 0 BDADRP CC(C)(N)c1nc([C@@H](N)c2ccccc2)no1 ZINC001345930035 980712097 /nfs/dbraw/zinc/71/20/97/980712097.db2.gz JKPOUTNTMFPQFD-VIFPVBQESA-N 2 0 232.287 1.312 20 0 BDADRP CC(C)CC[C@@H](O)C[NH2+]C[C@H]1CC[N@H+](C)C1 ZINC001346190620 980780731 /nfs/dbraw/zinc/78/07/31/980780731.db2.gz HZJFYOWZRCFOGG-CHWSQXEVSA-N 2 0 228.380 1.325 20 0 BDADRP C[NH+](C)Cc1ccccc1-c1cnc(C[NH3+])nc1 ZINC001239684741 980840542 /nfs/dbraw/zinc/84/05/42/980840542.db2.gz QLLXLZQFUZTEHT-UHFFFAOYSA-N 2 0 242.326 1.664 20 0 BDADRP [NH3+]C[C@]1(F)CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC001205545985 980945586 /nfs/dbraw/zinc/94/55/86/980945586.db2.gz NYTMOILJYGJOSH-RYUDHWBXSA-N 2 0 230.327 1.318 20 0 BDADRP [NH3+]C[C@]1(F)CCC[N@H+](C[C@@H]2CCCCO2)CC1 ZINC001205546825 980951550 /nfs/dbraw/zinc/95/15/50/980951550.db2.gz YWZKRZAZJVTXIJ-STQMWFEESA-N 2 0 244.354 1.708 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2ncc[nH]2)CC[C@H]1C[NH3+] ZINC001205603598 981175362 /nfs/dbraw/zinc/17/53/62/981175362.db2.gz QURKBUDVWYEXCF-MNOVXSKESA-N 2 0 222.336 1.217 20 0 BDADRP COC(=O)CCC[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205605035 981184046 /nfs/dbraw/zinc/18/40/46/981184046.db2.gz YPPCKQKBUYDCJQ-RYUDHWBXSA-N 2 0 242.363 1.246 20 0 BDADRP c1cc(C2=CC[NH2+]CC2)nc2c1C[NH2+]CC2 ZINC001240465664 981396711 /nfs/dbraw/zinc/39/67/11/981396711.db2.gz NPRVPDZVYOMCIG-UHFFFAOYSA-N 2 0 215.300 1.104 20 0 BDADRP [NH3+]Cc1ccc(-c2ccn3ccnc3c2)cn1 ZINC001240508556 981431506 /nfs/dbraw/zinc/43/15/06/981431506.db2.gz CDMANHFEASMUCP-UHFFFAOYSA-N 2 0 224.267 1.855 20 0 BDADRP c1cc(C2=CCC[NH2+]C2)ncc1[C@@H]1CCC[NH2+]1 ZINC001240650573 981558909 /nfs/dbraw/zinc/55/89/09/981558909.db2.gz RBUKUQYSXKILGF-ZDUSSCGKSA-N 2 0 229.327 1.883 20 0 BDADRP c1cc(CCC[NH2+]C[C@@]23C[C@@H]2C[NH2+]C3)cs1 ZINC001580887815 981717543 /nfs/dbraw/zinc/71/75/43/981717543.db2.gz JOCHJEHZGAETGV-CHWSQXEVSA-N 2 0 236.384 1.880 20 0 BDADRP c1cc(C2CC2)ccc1C[NH2+]CC1C[NH2+]C1 ZINC001580888293 981718551 /nfs/dbraw/zinc/71/85/51/981718551.db2.gz WUWLLHWYTDGUHP-UHFFFAOYSA-N 2 0 216.328 1.873 20 0 BDADRP c1cnc([C@H]2CC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)cn1 ZINC001580896698 981733308 /nfs/dbraw/zinc/73/33/08/981733308.db2.gz NNAFIUSFCMFTGY-OLZOCXBDSA-N 2 0 246.358 1.266 20 0 BDADRP c1cnc([C@H]2CC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)nc1 ZINC001580896937 981736074 /nfs/dbraw/zinc/73/60/74/981736074.db2.gz YPJPKVZNBFRJTM-OLZOCXBDSA-N 2 0 246.358 1.266 20 0 BDADRP CC[C@@H](NC)c1nc([C@@H](N)c2ccccc2)no1 ZINC001350000166 981839956 /nfs/dbraw/zinc/83/99/56/981839956.db2.gz BBJWCYYQXJMZEJ-MNOVXSKESA-N 2 0 246.314 1.788 20 0 BDADRP Cc1cnccc1C[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205673869 981864087 /nfs/dbraw/zinc/86/40/87/981864087.db2.gz VBNOFRAAVXHIQI-CQSZACIVSA-N 2 0 249.358 1.066 20 0 BDADRP Cc1cc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)ccn1 ZINC001205673977 981893106 /nfs/dbraw/zinc/89/31/06/981893106.db2.gz WXCQASYGUIEPOP-CQSZACIVSA-N 2 0 249.358 1.066 20 0 BDADRP [NH3+]C[C@@H]1CN(Cc2ccc[nH]2)CCC1(F)F ZINC001205761448 982404909 /nfs/dbraw/zinc/40/49/09/982404909.db2.gz GSYIXLNUPCLWMW-SECBINFHSA-N 2 0 229.274 1.431 20 0 BDADRP C[N@H+]1CC=C(c2cccc(CC[NH3+])c2)CC1 ZINC001241327565 982486874 /nfs/dbraw/zinc/48/68/74/982486874.db2.gz OFWQTLIPNBMLEZ-UHFFFAOYSA-N 2 0 216.328 1.907 20 0 BDADRP C[N@H+]1CC=C(c2ccc(CC[NH3+])cc2)CC1 ZINC001241330492 982492729 /nfs/dbraw/zinc/49/27/29/982492729.db2.gz SXMLXJOFAYBXMO-UHFFFAOYSA-N 2 0 216.328 1.907 20 0 BDADRP C[C@@H]1CC[C@@H](CN)[N@H+](CC2CC[NH2+]CC2)C1 ZINC001205806558 982571578 /nfs/dbraw/zinc/57/15/78/982571578.db2.gz UDKXXAMJJSQPTC-YPMHNXCESA-N 2 0 225.380 1.045 20 0 BDADRP C[C@H]1CC[C@H](CN)[N@H+](CCC23CC([NH3+])(C2)C3)C1 ZINC001205806627 982572523 /nfs/dbraw/zinc/57/25/23/982572523.db2.gz UYTXXUXTTPSFPS-MRFVTOPCSA-N 2 0 237.391 1.317 20 0 BDADRP C[C@H]1CC[C@H](CN)[N@H+](CC2CC[NH2+]CC2)C1 ZINC001205806553 982572539 /nfs/dbraw/zinc/57/25/39/982572539.db2.gz UDKXXAMJJSQPTC-WCQYABFASA-N 2 0 225.380 1.045 20 0 BDADRP COC1(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)CCC1 ZINC001352848808 982599278 /nfs/dbraw/zinc/59/92/78/982599278.db2.gz DKYGAFYHVJJIEO-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP CC(C)C[NH+]1CCC(C[NH2+]C[C@H](C)O)CC1 ZINC001251973412 983058923 /nfs/dbraw/zinc/05/89/23/983058923.db2.gz FCZRRXKJDUUPEE-LBPRGKRZSA-N 2 0 228.380 1.325 20 0 BDADRP CC(C)(C)[C@@H]([NH3+])CC(=O)NCCC[NH2+]C1CC1 ZINC001354133099 983167186 /nfs/dbraw/zinc/16/71/86/983167186.db2.gz ZIGPHLWDLLDNON-NSHDSACASA-N 2 0 241.379 1.008 20 0 BDADRP Cc1cc(N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)nc(N)[nH+]1 ZINC001354132225 983169845 /nfs/dbraw/zinc/16/98/45/983169845.db2.gz VRMCGAPWQMBMJN-LDYMZIIASA-N 2 0 247.346 1.262 20 0 BDADRP [NH3+][C@H](Cc1ccccc1)CN1CCCC[C@H]([NH3+])C1 ZINC001205925581 983422991 /nfs/dbraw/zinc/42/29/91/983422991.db2.gz WVEZPEMZUPXLSD-LSDHHAIUSA-N 2 0 247.386 1.370 20 0 BDADRP Cc1cc(N)nc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[nH+]1 ZINC001355214626 983449862 /nfs/dbraw/zinc/44/98/62/983449862.db2.gz PFADBDJKQVXBOK-GHMZBOCLSA-N 2 0 247.346 1.406 20 0 BDADRP C[NH2+]CC(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC001355600905 983527256 /nfs/dbraw/zinc/52/72/56/983527256.db2.gz URPOIQASWHKVQE-UHFFFAOYSA-N 2 0 221.304 1.038 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@H]2COC[C@@H]2C2CC2)CC1 ZINC001356050371 983563812 /nfs/dbraw/zinc/56/38/12/983563812.db2.gz YTHMWERRRNMWIL-HOFDXXJLSA-N 2 0 238.375 1.519 20 0 BDADRP C[NH+]1CCN(C2C[NH+](CCC(C)(C)C)C2)CC1 ZINC001202114975 983566816 /nfs/dbraw/zinc/56/68/16/983566816.db2.gz KPSRKPDQHZTLRR-UHFFFAOYSA-N 2 0 239.407 1.354 20 0 BDADRP CO[C@H]1CCN(C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC001356083600 983573469 /nfs/dbraw/zinc/57/34/69/983573469.db2.gz ULQBRRXCXWUCDG-NEPJUHHUSA-N 2 0 228.380 1.861 20 0 BDADRP COc1cc(C[NH2+]C2CC([NH3+])C2)ccc1F ZINC001356130753 983580965 /nfs/dbraw/zinc/58/09/65/983580965.db2.gz GONKYVWYBCSCFB-UHFFFAOYSA-N 2 0 224.279 1.414 20 0 BDADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC001357484402 983730924 /nfs/dbraw/zinc/73/09/24/983730924.db2.gz FCAUSNMLUHIUDJ-DCAQKATOSA-N 2 0 241.379 1.007 20 0 BDADRP CC[C@@H](C)C[C@H]([NH3+])C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC001358005050 983813307 /nfs/dbraw/zinc/81/33/07/983813307.db2.gz UPBDZZKTECLAOT-KKOKHZNYSA-N 2 0 241.379 1.136 20 0 BDADRP C1[NH2+]CC12C[C@H]([NH2+][C@@H]1C[C@@H]3CCCC[C@H]13)CO2 ZINC001574801193 984119064 /nfs/dbraw/zinc/11/90/64/984119064.db2.gz OEPAEYRPJKQSLK-ZDEQEGDKSA-N 2 0 236.359 1.286 20 0 BDADRP C[C@]1(CNCc2ccccc2F)C[NH2+]CCO1 ZINC001576526105 984174840 /nfs/dbraw/zinc/17/48/40/984174840.db2.gz NIJCXKJHIUOVQK-CYBMUJFWSA-N 2 0 238.306 1.294 20 0 BDADRP C[C@H]1CCC[C@H]([NH2+]C[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC001576680964 984178815 /nfs/dbraw/zinc/17/88/15/984178815.db2.gz XMSPSHMOLRLYLI-QNWHQSFQSA-N 2 0 226.364 1.125 20 0 BDADRP COC(=O)[C@H](C)C[N@@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205981809 984184767 /nfs/dbraw/zinc/18/47/67/984184767.db2.gz HHAMASGAXOSYLJ-UTUOFQBUSA-N 2 0 242.363 1.102 20 0 BDADRP CC[C@H]1[NH2+]CC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001578241812 984208596 /nfs/dbraw/zinc/20/85/96/984208596.db2.gz MWGLVLGJINWPJN-DGAVXFQQSA-N 2 0 237.391 1.343 20 0 BDADRP C[NH+](C)CCN(CC[NH+](C)C)CC1CCC1 ZINC001202739685 984209591 /nfs/dbraw/zinc/20/95/91/984209591.db2.gz LRBXZGOKZVHWSY-UHFFFAOYSA-N 2 0 227.396 1.212 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CCCOC2)CCC[C@@H]1C[NH3+] ZINC001205983858 984214007 /nfs/dbraw/zinc/21/40/07/984214007.db2.gz PPHWLDCZQSRERR-MGPQQGTHSA-N 2 0 240.391 1.720 20 0 BDADRP C[C@H]1C[N@H+](CC2(C)COC2)CCC[C@H]1C[NH3+] ZINC001205984331 984216724 /nfs/dbraw/zinc/21/67/24/984216724.db2.gz RURHCQDZDMGJAM-RYUDHWBXSA-N 2 0 226.364 1.330 20 0 BDADRP C[NH2+]C[C@](C)(O)C[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC001578622064 984216625 /nfs/dbraw/zinc/21/66/25/984216625.db2.gz NBJUNBXQTZCYEI-SCRDCRAPSA-N 2 0 242.407 1.761 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H](N[C@H]3CC[NH2+]C34CCC4)[C@@H]2C1 ZINC001578521178 984216842 /nfs/dbraw/zinc/21/68/42/984216842.db2.gz MMFKELDYNLNYHE-CRWXNKLISA-N 2 0 249.402 1.201 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@]2(CO)CCC[C@@H]12 ZINC001579455758 984275319 /nfs/dbraw/zinc/27/53/19/984275319.db2.gz QOJGWBFEORXPPL-XJFOESAGSA-N 2 0 238.375 1.079 20 0 BDADRP [NH3+]Cc1ccc(-c2ccc3c(c2)CC[NH2+]C3)cn1 ZINC001240455762 984298912 /nfs/dbraw/zinc/29/89/12/984298912.db2.gz HQRNLLIJKDZBSB-UHFFFAOYSA-N 2 0 239.322 1.853 20 0 BDADRP C[NH2+]Cc1ccc(-c2cc3c(nn2)C[NH2+]C3)cc1 ZINC001242990127 984353739 /nfs/dbraw/zinc/35/37/39/984353739.db2.gz JDAFSKPWZTYFMO-UHFFFAOYSA-N 2 0 240.310 1.466 20 0 BDADRP C[NH2+]Cc1cccc(-c2cc(C[NH3+])ccn2)c1 ZINC001242994719 984360031 /nfs/dbraw/zinc/36/00/31/984360031.db2.gz PSBZXGPSOWIKIC-UHFFFAOYSA-N 2 0 227.311 1.927 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+][C@@H]1CCCn3nccc31)C2 ZINC001580167210 984407450 /nfs/dbraw/zinc/40/74/50/984407450.db2.gz VSBYSULJJDKWQK-JKFXUVRWSA-N 2 0 232.331 1.187 20 0 BDADRP [NH3+][C@H]1CC12CC([NH2+][C@@H](CCO)c1ccco1)C2 ZINC001580163851 984407876 /nfs/dbraw/zinc/40/78/76/984407876.db2.gz DXRPZUHLVNTWJZ-QCNJJUDDSA-N 2 0 236.315 1.173 20 0 BDADRP [NH3+][C@H]1CC12CC([NH2+]CC1(CF)CCOCC1)C2 ZINC001580167400 984409944 /nfs/dbraw/zinc/40/99/44/984409944.db2.gz ZXYDNLOUBOSBCP-AKJDGMEZSA-N 2 0 242.338 1.222 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001577688025 984637697 /nfs/dbraw/zinc/63/76/97/984637697.db2.gz ZIBITYZUYQNAGU-RDBSUJKOSA-N 2 0 241.423 1.837 20 0 BDADRP CC[N@H+](C/C=C(\C)COC)C1CC[NH2+]CC1 ZINC001577711249 984646854 /nfs/dbraw/zinc/64/68/54/984646854.db2.gz ZKRTZDPOYJDPOC-KPKJPENVSA-N 2 0 226.364 1.653 20 0 BDADRP CC[N@H+](C/C=C(/C)COC)C1CC[NH2+]CC1 ZINC001577711248 984653341 /nfs/dbraw/zinc/65/33/41/984653341.db2.gz ZKRTZDPOYJDPOC-GHXNOFRVSA-N 2 0 226.364 1.653 20 0 BDADRP CC[N@H+](CCc1cccs1)C[C@@H](O)CC[NH3+] ZINC001577728706 984679790 /nfs/dbraw/zinc/67/97/90/984679790.db2.gz LYBUYLAFVQLTOL-NSHDSACASA-N 2 0 242.388 1.322 20 0 BDADRP CC[N@H+](CCc1cncn1C)C1CC[NH2+]CC1 ZINC001577731728 984687160 /nfs/dbraw/zinc/68/71/60/984687160.db2.gz ZUGPADYXLIJMRE-UHFFFAOYSA-N 2 0 236.363 1.037 20 0 BDADRP C[C@H](Cc1ccncc1)[NH+]1CCC(C)([NH3+])CC1 ZINC001256722444 984717067 /nfs/dbraw/zinc/71/70/67/984717067.db2.gz DHXCBNNTCLKXSP-GFCCVEGCSA-N 2 0 233.359 1.826 20 0 BDADRP CC[NH2+][C@H](C)CNC(=O)[C@H]([NH3+])C1CCCCC1 ZINC001326291829 984751254 /nfs/dbraw/zinc/75/12/54/984751254.db2.gz BYIGZPJVDLVCJM-ZYHUDNBSSA-N 2 0 241.379 1.008 20 0 BDADRP CC[N@@H+]1CCC[C@H](N[C@H](CC[NH3+])C(F)F)C1 ZINC001577771071 984776018 /nfs/dbraw/zinc/77/60/18/984776018.db2.gz RLAKUXPHCNVXPS-VHSXEESVSA-N 2 0 235.322 1.043 20 0 BDADRP CC[NH2+][C@H](C)C(=O)NCc1c[nH]c(C(C)C)n1 ZINC001577807024 984802675 /nfs/dbraw/zinc/80/26/75/984802675.db2.gz MWSVBDNGIRETNJ-SECBINFHSA-N 2 0 238.335 1.147 20 0 BDADRP Cc1n[nH]cc1C[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001276068598 984810222 /nfs/dbraw/zinc/81/02/22/984810222.db2.gz ZUZSKEUWUAFYEA-UHFFFAOYSA-N 2 0 248.374 1.636 20 0 BDADRP CCOC(=O)[C@H](C)[C@H](C)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001577908615 984818623 /nfs/dbraw/zinc/81/86/23/984818623.db2.gz NEYZWUNABKUBLC-WYUUTHIRSA-N 2 0 242.363 1.304 20 0 BDADRP C[N@@H+]1CCC2(C1)CC[NH+](Cc1cnco1)CC2 ZINC001276158376 984822467 /nfs/dbraw/zinc/82/24/67/984822467.db2.gz SETRBWJWIFHWMP-UHFFFAOYSA-N 2 0 235.331 1.592 20 0 BDADRP Cn1cc(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)cn1 ZINC001276222513 984831934 /nfs/dbraw/zinc/83/19/34/984831934.db2.gz XJQVECCQXAPKAA-OKILXGFUSA-N 2 0 248.374 1.194 20 0 BDADRP CCO[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC001578151426 984855011 /nfs/dbraw/zinc/85/50/11/984855011.db2.gz JLMYEOBCZSMAED-IGQOVBAYSA-N 2 0 240.391 1.922 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)[C@@H]1SC ZINC001578158666 984862025 /nfs/dbraw/zinc/86/20/25/984862025.db2.gz LLKRTPKOIHAHGM-ROHXPCBUSA-N 2 0 244.404 1.222 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC001578161023 984863179 /nfs/dbraw/zinc/86/31/79/984863179.db2.gz IOSKBTZDDZYBLG-DDHJBXDOSA-N 2 0 224.348 1.413 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC001578161024 984863702 /nfs/dbraw/zinc/86/37/02/984863702.db2.gz IOSKBTZDDZYBLG-FIQHERPVSA-N 2 0 224.348 1.413 20 0 BDADRP CCC[C@H](C)[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC001257306292 984878345 /nfs/dbraw/zinc/87/83/45/984878345.db2.gz PKYONTHSXZXDFY-ZDUSSCGKSA-N 2 0 241.423 1.791 20 0 BDADRP CC[C@@H]1OCC[C@H]1[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC001578228609 984879151 /nfs/dbraw/zinc/87/91/51/984879151.db2.gz DKFXVGANAZDLMU-WOPDTQHZSA-N 2 0 212.337 1.143 20 0 BDADRP CC[C@H]1[NH2+]CC[C@@H]1[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC001578241731 984894114 /nfs/dbraw/zinc/89/41/14/984894114.db2.gz JHVGZAISZYSROL-QCNOEVLYSA-N 2 0 212.337 1.142 20 0 BDADRP CC[C@H]1[NH2+]CC[C@@H]1[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC001578241573 984894909 /nfs/dbraw/zinc/89/49/09/984894909.db2.gz BVDLSOAUGIDSEZ-QCNOEVLYSA-N 2 0 212.337 1.284 20 0 BDADRP CCn1ccnc1C[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578356968 984997281 /nfs/dbraw/zinc/99/72/81/984997281.db2.gz KCQLHKJPSQDSFV-WDEREUQCSA-N 2 0 222.336 1.120 20 0 BDADRP CCn1cnc(C[NH2+]CCCCCC[NH3+])c1 ZINC001578356787 984998533 /nfs/dbraw/zinc/99/85/33/984998533.db2.gz FUTRPMSUCJSEAF-UHFFFAOYSA-N 2 0 224.352 1.512 20 0 BDADRP CCn1ccnc1[C@H](C)[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001578357139 984998957 /nfs/dbraw/zinc/99/89/57/984998957.db2.gz NUVNGOCNXAJVGL-MSLYCWSTSA-N 2 0 234.347 1.433 20 0 BDADRP CCn1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)n1 ZINC001578354152 985000076 /nfs/dbraw/zinc/00/00/76/985000076.db2.gz ZRMBUPGLDAEPMX-RYUDHWBXSA-N 2 0 236.363 1.320 20 0 BDADRP CC[C@@H](C)N(CCC[NH3+])CCC[NH+](C)C ZINC001257430684 985004374 /nfs/dbraw/zinc/00/43/74/985004374.db2.gz DRZXNVKDPKGQGR-GFCCVEGCSA-N 2 0 215.385 1.387 20 0 BDADRP C[N@H+](CC1CC(F)(F)C1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578445985 985078006 /nfs/dbraw/zinc/07/80/06/985078006.db2.gz ZTWVZWZMDUBFIO-MYJAWHEDSA-N 2 0 216.275 1.181 20 0 BDADRP C[N@H+](C[C@H]1CC[C@@H]([NH3+])C1)C[C@@H]1CCC[C@H]1O ZINC001578453285 985087822 /nfs/dbraw/zinc/08/78/22/985087822.db2.gz ZOBTWFTWCVSKHD-WUHRBBMRSA-N 2 0 226.364 1.207 20 0 BDADRP C[C@@H](NC[C@H](C)[NH+]1CCCCC1)C1C[NH2+]C1 ZINC000686221729 985090485 /nfs/dbraw/zinc/09/04/85/985090485.db2.gz XQSQJBUPNDVBCQ-NWDGAFQWSA-N 2 0 225.380 1.058 20 0 BDADRP CN(CC[N@H+](C)Cc1ccccc1)C1C[NH2+]C1 ZINC001578470118 985107091 /nfs/dbraw/zinc/10/70/91/985107091.db2.gz OXOARDKNLDFGED-UHFFFAOYSA-N 2 0 233.359 1.022 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@H]3CC[C@@H]([NH3+])C3)C2)C1 ZINC001578528666 985157060 /nfs/dbraw/zinc/15/70/60/985157060.db2.gz JETGLKDJDBFJAN-BFHYXJOUSA-N 3 0 237.391 1.141 20 0 BDADRP C[N@@H+]1CCCC[C@@H](C[NH2+]C2CC3(C[C@H]3[NH3+])C2)C1 ZINC001578529049 985157458 /nfs/dbraw/zinc/15/74/58/985157458.db2.gz PGBAEYKBQYTTGT-RJZJGCCBSA-N 3 0 237.391 1.188 20 0 BDADRP CN1CCC[C@H]2[C@H]1CC[N@@H+]2C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578529721 985158302 /nfs/dbraw/zinc/15/83/02/985158302.db2.gz YQQSQUYPRTXUGH-DGAVXFQQSA-N 2 0 237.391 1.282 20 0 BDADRP CN1CCC[C@@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC001578529414 985159647 /nfs/dbraw/zinc/15/96/47/985159647.db2.gz UNORREZRBOBOLJ-MGPQQGTHSA-N 2 0 237.391 1.202 20 0 BDADRP COC(CC[N@H+](C)C[C@H]1CCC[NH+](C)C1)OC ZINC000686617466 985181805 /nfs/dbraw/zinc/18/18/05/985181805.db2.gz PILOZHAFCOUWHB-LBPRGKRZSA-N 2 0 244.379 1.269 20 0 BDADRP C[NH2+]C[C@H](C)C(=O)Nc1ccc2c[nH+]cn2c1 ZINC001578623152 985237672 /nfs/dbraw/zinc/23/76/72/985237672.db2.gz KBBPLNGIFDHUMF-VIFPVBQESA-N 2 0 232.287 1.128 20 0 BDADRP C[NH2+]C[C@@](C)(O)C[NH2+][C@@H]1Cc2ccccc2[C@@H]1C ZINC001578622692 985239445 /nfs/dbraw/zinc/23/94/45/985239445.db2.gz YKJQGNSJGNQABN-NILFDRSVSA-N 2 0 248.370 1.275 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+]Cc1cccc2nccn21 ZINC001578627865 985242322 /nfs/dbraw/zinc/24/23/22/985242322.db2.gz WPBZTLJACDETKV-NSHDSACASA-N 2 0 232.331 1.279 20 0 BDADRP CO[C@@H]1CC[C@H](C)[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000687214326 985267787 /nfs/dbraw/zinc/26/77/87/985267787.db2.gz IXAJRMMHBFTJBG-MELADBBJSA-N 2 0 240.391 1.875 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+]([C@H]1CCCSC1)CC2 ZINC001257681649 985268863 /nfs/dbraw/zinc/26/88/63/985268863.db2.gz RZKBFLTWGUYEFD-LBPRGKRZSA-N 2 0 240.416 1.910 20 0 BDADRP CO[C@@H]1CC[C@H](C)[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000687255864 985277444 /nfs/dbraw/zinc/27/74/44/985277444.db2.gz UEWPGYTXVMDBIE-GXTWGEPZSA-N 2 0 240.391 1.875 20 0 BDADRP COC(=O)C(C)(C)CC[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC001578766158 985332866 /nfs/dbraw/zinc/33/28/66/985332866.db2.gz ANDFSFRWZUATLA-NXEZZACHSA-N 2 0 242.363 1.291 20 0 BDADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C2CC(C[NH3+])C2)C1 ZINC001578815913 985386014 /nfs/dbraw/zinc/38/60/14/985386014.db2.gz NIXPMCZHVRGUNO-ZYGVAYEYSA-N 2 0 240.347 1.045 20 0 BDADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)C1 ZINC001578833603 985412538 /nfs/dbraw/zinc/41/25/38/985412538.db2.gz ZYKWPDKETAPBMU-QCNOEVLYSA-N 2 0 240.347 1.045 20 0 BDADRP CCOC(=O)CCC[C@H](C)[NH2+]C[C@@H](C)C[NH3+] ZINC001258113602 985421200 /nfs/dbraw/zinc/42/12/00/985421200.db2.gz WTFYIANTQHUOGH-QWRGUYRKSA-N 2 0 230.352 1.293 20 0 BDADRP COC1([C@@H](C)[NH2+]C2CC3(C[C@@H]3[NH3+])C2)CCC1 ZINC001578924880 985521703 /nfs/dbraw/zinc/52/17/03/985521703.db2.gz UDMXOZLPIQHBCN-ZYGVAYEYSA-N 2 0 224.348 1.413 20 0 BDADRP COC1CC(C[NH2+][C@@H](C)C[C@H](C)[NH3+])C1 ZINC001578935726 985538856 /nfs/dbraw/zinc/53/88/56/985538856.db2.gz KVQOJACLCLJAAU-SAAXCQNUSA-N 2 0 200.326 1.127 20 0 BDADRP COC1CC(C[NH2+][C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC001578936680 985546461 /nfs/dbraw/zinc/54/64/61/985546461.db2.gz YEIZVZRULNTITN-MVKMKZAISA-N 2 0 224.348 1.143 20 0 BDADRP CO[C@H]1C[C@H]([NH2+][C@H]2C[C@H]([NH3+])C2)C12CCC2 ZINC001578935839 985547580 /nfs/dbraw/zinc/54/75/80/985547580.db2.gz LHACVNJMVCAWTD-NAKRPEOUSA-N 2 0 210.321 1.023 20 0 BDADRP COCC(C)(C)C[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001578955725 985566503 /nfs/dbraw/zinc/56/65/03/985566503.db2.gz UPFSJWRHKXOJFH-SQLBVSGCSA-N 2 0 212.337 1.128 20 0 BDADRP COC[C@H](C[NH2+]CC(C)(C)[NH3+])C(C)C ZINC001578961855 985592233 /nfs/dbraw/zinc/59/22/33/985592233.db2.gz WIUJFMRQWHSSCE-JTQLQIEISA-N 2 0 202.342 1.232 20 0 BDADRP C[C@H]([C@H](C)O)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC001459765069 985603801 /nfs/dbraw/zinc/60/38/01/985603801.db2.gz VERVFFKWZHCSDA-OLZOCXBDSA-N 2 0 242.407 1.810 20 0 BDADRP COC[C@H]1CC[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001578989201 985610637 /nfs/dbraw/zinc/61/06/37/985610637.db2.gz HKONFWNDQYOSDQ-SDDRHHMPSA-N 2 0 212.337 1.082 20 0 BDADRP COCC[C@@H]([NH3+])C[NH2+][C@@H](COC)CC(C)(C)C ZINC001579000675 985620486 /nfs/dbraw/zinc/62/04/86/985620486.db2.gz AOAIFUQTBFXVSO-VXGBXAGGSA-N 2 0 246.395 1.391 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+][C@H]1C[C@H](OC(C)(C)C)C1 ZINC001579004387 985660026 /nfs/dbraw/zinc/66/00/26/985660026.db2.gz TWUOUJHGQRSUQX-SRVKXCTJSA-N 2 0 244.379 1.286 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+]CC1CCC(OC)CC1 ZINC001579004153 985663585 /nfs/dbraw/zinc/66/35/85/985663585.db2.gz QOHXJCPDKNGIBI-CPCZMJQVSA-N 2 0 244.379 1.145 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+]C[C@@H]1CC[C@H](C)C1 ZINC001579004394 985670998 /nfs/dbraw/zinc/67/09/98/985670998.db2.gz TYPZIJADXCMZFP-TUAOUCFPSA-N 2 0 214.353 1.376 20 0 BDADRP C[NH+](C)C[C@H]1CC[N@H+](CCC2OCCCO2)C1 ZINC000688568952 985684910 /nfs/dbraw/zinc/68/49/10/985684910.db2.gz LVGVLPWTOXOUAQ-GFCCVEGCSA-N 2 0 242.363 1.023 20 0 BDADRP COCc1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC001579090286 985704991 /nfs/dbraw/zinc/70/49/91/985704991.db2.gz BWELCJMXOOONPW-HNNXBMFYSA-N 2 0 248.370 1.922 20 0 BDADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H]3C[C@H]([NH3+])C3)C[C@H]2C1 ZINC001579127326 985803780 /nfs/dbraw/zinc/80/37/80/985803780.db2.gz LKRBISZYKAHRAC-BIYIIWIQSA-N 2 0 224.348 1.269 20 0 BDADRP CO[C@H]1C[C@H]2C[C@H]([NH2+][C@H]3C[C@H]([NH3+])C3)C[C@H]2C1 ZINC001579127325 985804623 /nfs/dbraw/zinc/80/46/23/985804623.db2.gz LKRBISZYKAHRAC-BCFCROPCSA-N 2 0 224.348 1.269 20 0 BDADRP CO[C@H]1CCCC[C@@H]1[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001579130550 985807745 /nfs/dbraw/zinc/80/77/45/985807745.db2.gz UIXXEHMELXAKQO-MAHHCSCLSA-N 2 0 224.348 1.413 20 0 BDADRP COc1cc(C[C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])C2)ccn1 ZINC001579146942 985810403 /nfs/dbraw/zinc/81/04/03/985810403.db2.gz WIFTXYGGRXKQCU-ZMLRMANQSA-N 2 0 235.331 1.101 20 0 BDADRP CCN1CCC[C@H]1C[NH2+][C@H](C)CCC(=O)OC ZINC001258346986 985824791 /nfs/dbraw/zinc/82/47/91/985824791.db2.gz QQUMSXRPABXHPU-NEPJUHHUSA-N 2 0 242.363 1.402 20 0 BDADRP C[S@](=O)[C@H]1CC[C@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC001579356399 985857833 /nfs/dbraw/zinc/85/78/33/985857833.db2.gz WPNXPWUYVLVHEU-GSOPLJFPSA-N 2 0 244.404 1.146 20 0 BDADRP C[C@@H](O)[C@@H](C)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC001460695075 985878132 /nfs/dbraw/zinc/87/81/32/985878132.db2.gz YHTUKHQGMCWWLS-ZIAGYGMSSA-N 2 0 242.407 1.954 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC001460774829 985894146 /nfs/dbraw/zinc/89/41/46/985894146.db2.gz QNFIFKCQABDPAX-ZOBORPQBSA-N 2 0 238.375 1.173 20 0 BDADRP C[C@@H]1CC[C@H](CO)[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001579429240 985912913 /nfs/dbraw/zinc/91/29/13/985912913.db2.gz MNJFHOKHSPDGLK-FRRDWIJNSA-N 2 0 226.364 1.221 20 0 BDADRP [NH3+]C[C@H]1CCCC[N@H+](CCC23CC([NH3+])(C2)C3)C1 ZINC001206606468 985925077 /nfs/dbraw/zinc/92/50/77/985925077.db2.gz NUUCLNBWFJTBNH-IYXRBSQSSA-N 3 0 237.391 1.319 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCCC[C@@H]1C1(O)CC1 ZINC001579454566 985939230 /nfs/dbraw/zinc/93/92/30/985939230.db2.gz LGTBRQTUUGDRHA-FRRDWIJNSA-N 2 0 238.375 1.221 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H](CCO)CC1 ZINC001579454496 985939766 /nfs/dbraw/zinc/93/97/66/985939766.db2.gz GZZALRYXZALEPU-RDBSUJKOSA-N 2 0 240.391 1.326 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C1CC1)C1(CO)CCC1 ZINC001579454428 985942972 /nfs/dbraw/zinc/94/29/72/985942972.db2.gz BHDMSOFDYYHZSI-NEPJUHHUSA-N 2 0 238.375 1.221 20 0 BDADRP [NH3+]CCOc1cccc(-c2cccc(C[NH3+])n2)c1 ZINC001244320733 985944073 /nfs/dbraw/zinc/94/40/73/985944073.db2.gz QTDIBMKOPFAAJE-UHFFFAOYSA-N 2 0 243.310 1.545 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC001579459528 985949598 /nfs/dbraw/zinc/94/95/98/985949598.db2.gz GGLYBZHGEAMGSD-FRRDWIJNSA-N 2 0 239.407 1.304 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC001579459527 985955146 /nfs/dbraw/zinc/95/51/46/985955146.db2.gz GGLYBZHGEAMGSD-AGIUHOORSA-N 2 0 239.407 1.304 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C(C)(C)c1cnn(C)c1 ZINC001579459479 985956323 /nfs/dbraw/zinc/95/63/23/985956323.db2.gz CNJSOCFVBBDRNI-MNOVXSKESA-N 2 0 236.363 1.100 20 0 BDADRP C[C@H](Cc1cccnc1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC001258610086 985984835 /nfs/dbraw/zinc/98/48/35/985984835.db2.gz DEECSDMXUMHLEH-KWCYVHTRSA-N 2 0 233.359 1.872 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@H]2CC[NH2+]C2(C)C)C[C@H](C)O1 ZINC001579492578 986019174 /nfs/dbraw/zinc/01/91/74/986019174.db2.gz MLQKMMLZZVZWNN-LOWDOPEQSA-N 2 0 240.391 1.920 20 0 BDADRP C[C@H]1[NH2+]CC[C@@H]1N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC001579505243 986051305 /nfs/dbraw/zinc/05/13/05/986051305.db2.gz RJYJAVRJNWTNQH-UTUOFQBUSA-N 2 0 225.380 1.199 20 0 BDADRP Cc1c[nH]c(=O)c(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1 ZINC001579543652 986072749 /nfs/dbraw/zinc/07/27/49/986072749.db2.gz FJEIDVSHPLMNCT-RYUDHWBXSA-N 2 0 235.331 1.455 20 0 BDADRP Cc1c[nH]c(=O)c(C[NH2+]C[C@H](C[NH3+])C(C)C)c1 ZINC001579544381 986073968 /nfs/dbraw/zinc/07/39/68/986073968.db2.gz VTAIUSCFLWJXSB-LBPRGKRZSA-N 2 0 237.347 1.416 20 0 BDADRP Cc1c[nH]c(=O)c(C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)c1 ZINC001579543796 986075484 /nfs/dbraw/zinc/07/54/84/986075484.db2.gz IORBSAJRVBUMCJ-QWRGUYRKSA-N 2 0 235.331 1.311 20 0 BDADRP Cc1c[nH]c(CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)n1 ZINC001579547690 986082114 /nfs/dbraw/zinc/08/21/14/986082114.db2.gz QUYPPKCWOQENEV-AAEUAGOBSA-N 2 0 234.347 1.279 20 0 BDADRP Cc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc(C)n1 ZINC001579601635 986094065 /nfs/dbraw/zinc/09/40/65/986094065.db2.gz UIAQZCSTNIQXEM-YGRLFVJLSA-N 2 0 233.359 1.644 20 0 BDADRP Cc1cc(C)c2c(c1)CC[N@@H+](C[C@](C)(O)C[NH3+])C2 ZINC001579576803 986096345 /nfs/dbraw/zinc/09/63/45/986096345.db2.gz OFAKOHZZGSUGRC-OAHLLOKOSA-N 2 0 248.370 1.371 20 0 BDADRP Cc1cc(C[NH2+]C2CC3(C[C@H]3[NH3+])C2)ccn1 ZINC001579600821 986114771 /nfs/dbraw/zinc/11/47/71/986114771.db2.gz BBSVHBLXTXJXIO-OTTFEQOBSA-N 2 0 217.316 1.359 20 0 BDADRP Cc1cccc(CC[NH2+][C@@H]2CCCC[C@H]2[NH3+])n1 ZINC001579761973 986216237 /nfs/dbraw/zinc/21/62/37/986216237.db2.gz VNMZDTWKOQAEDL-ZIAGYGMSSA-N 2 0 233.359 1.792 20 0 BDADRP Cc1cccc2c1C[N@H+](CCC1C[NH2+]C1)CC2 ZINC001579779204 986220258 /nfs/dbraw/zinc/22/02/58/986220258.db2.gz HZOVSRLYCXHXBU-UHFFFAOYSA-N 2 0 230.355 1.963 20 0 BDADRP Cc1cn(C)nc1C[NH2+]C[C@@H]1CCC[NH2+]CC1 ZINC001579818173 986236849 /nfs/dbraw/zinc/23/68/49/986236849.db2.gz JSFPZVQONXZDCE-GFCCVEGCSA-N 2 0 236.363 1.208 20 0 BDADRP CC[NH+]1CCC(C[N@H+](CCO)CC2CC2)CC1 ZINC001462215173 986313695 /nfs/dbraw/zinc/31/36/95/986313695.db2.gz CDHNPLODAHWHHP-UHFFFAOYSA-N 2 0 240.391 1.423 20 0 BDADRP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cccnc2N)C1 ZINC001206566205 986424520 /nfs/dbraw/zinc/42/45/20/986424520.db2.gz YIYFXVPLKHVDQG-AWEZNQCLSA-N 2 0 248.374 1.615 20 0 BDADRP Fc1cnccc1C[NH2+]C[C@@H]1CCC[NH2+]CC1 ZINC001580035322 986434412 /nfs/dbraw/zinc/43/44/12/986434412.db2.gz ZDMSZBCDPZWWGO-LLVKDONJSA-N 2 0 237.322 1.700 20 0 BDADRP CC[C@@H](C)C[NH2+]C[C@@H]1C[NH+]2CCC1CC2 ZINC001462638359 986479147 /nfs/dbraw/zinc/47/91/47/986479147.db2.gz YGGFNQSMYIDLGP-DGCLKSJQSA-N 2 0 210.365 1.964 20 0 BDADRP Cc1cccc(CC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)n1 ZINC000689406959 986583756 /nfs/dbraw/zinc/58/37/56/986583756.db2.gz USFSBCWRSFRWDN-UONOGXRCSA-N 2 0 245.370 1.792 20 0 BDADRP [NH3+]C1(CC[NH2+][C@@H]2CCCOCC2)CCOCC1 ZINC001580144338 986605547 /nfs/dbraw/zinc/60/55/47/986605547.db2.gz OVJIITKWXNHOMM-GFCCVEGCSA-N 2 0 242.363 1.043 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2O3)C12CCC2 ZINC001580163434 986634630 /nfs/dbraw/zinc/63/46/30/986634630.db2.gz AYOMFNWNVGDVMH-KQSJRHEJSA-N 2 0 222.332 1.166 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2C[C@H](O)C23CCC3)C12CCC2 ZINC001580165367 986635399 /nfs/dbraw/zinc/63/53/99/986635399.db2.gz UPNRGUAOVAUTDW-RHYQMDGZSA-N 2 0 236.359 1.149 20 0 BDADRP [NH3+][C@H]1CC12CC([NH2+]C[C@H]1CCSC1)C2 ZINC001580163386 986637868 /nfs/dbraw/zinc/63/78/68/986637868.db2.gz AGWGEKSCVVNDJS-VKAADOFISA-N 2 0 212.362 1.209 20 0 BDADRP [NH3+][C@H]1CC12CC([NH2+]C[C@H]1CCCC[C@@H]1O)C2 ZINC001580164735 986637900 /nfs/dbraw/zinc/63/79/00/986637900.db2.gz IXKMDBQBZHIWFH-SZMZNBQVSA-N 2 0 224.348 1.007 20 0 BDADRP [NH3+][C@H]1CC12CC([NH2+]CCCC1CCOCC1)C2 ZINC001580163840 986638140 /nfs/dbraw/zinc/63/81/40/986638140.db2.gz DLRDMTYMCNQOET-MOKVOYLWSA-N 2 0 238.375 1.663 20 0 BDADRP [NH3+]C1CC2(C1)CC([NH2+]Cc1cc3n(n1)CCC3)C2 ZINC001580166878 986644407 /nfs/dbraw/zinc/64/44/07/986644407.db2.gz VBTSHSOZEWZLAB-UHFFFAOYSA-N 2 0 246.358 1.189 20 0 BDADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H]1CCCC[C@@H]1O)C2 ZINC001580170792 986646915 /nfs/dbraw/zinc/64/69/15/986646915.db2.gz ZKSWUZAOFJKIDH-HPCHECBXSA-N 2 0 238.375 1.349 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC[C@H](O)C2CCCC2)C1 ZINC001580175142 986647734 /nfs/dbraw/zinc/64/77/34/986647734.db2.gz CGUQNBJDBQXHKZ-RDBSUJKOSA-N 2 0 240.391 1.787 20 0 BDADRP C[C@@H]1CC[N@@H+]([C@H]2CCC[NH+](C)CC2)C[C@@]1(C)O ZINC001254516438 986653731 /nfs/dbraw/zinc/65/37/31/986653731.db2.gz MJTKZWHPKMWMOB-HZSPNIEDSA-N 2 0 240.391 1.564 20 0 BDADRP [NH3+]CC1(C[N@@H+]2CCC[C@](O)(C3CC3)C2)CCC1 ZINC001580244507 986696547 /nfs/dbraw/zinc/69/65/47/986696547.db2.gz ZKCWHDZGEKRAED-CQSZACIVSA-N 2 0 238.375 1.352 20 0 BDADRP [NH3+]CC1(C[N@@H+]2CCC[C@H](C3CC3)C2)CC1 ZINC001580243409 986696749 /nfs/dbraw/zinc/69/67/49/986696749.db2.gz FURITTYBEDFCSP-LBPRGKRZSA-N 2 0 208.349 1.847 20 0 BDADRP [NH3+]C[C@]12CN(Cc3cc[nH]n3)C[C@H]1CCCC2 ZINC001580256862 986709931 /nfs/dbraw/zinc/70/99/31/986709931.db2.gz YNXUMRXOQKKZPE-DGCLKSJQSA-N 2 0 234.347 1.361 20 0 BDADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001580260806 986715173 /nfs/dbraw/zinc/71/51/73/986715173.db2.gz SDNSANRBXNIXQN-OOCWMUITSA-N 2 0 210.321 1.023 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cc[nH]c(=O)c2)C1 ZINC001580287428 986731746 /nfs/dbraw/zinc/73/17/46/986731746.db2.gz UNWAWZIGJJFBQR-NSHDSACASA-N 2 0 235.331 1.348 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCn1cc(Cl)cn1 ZINC001580372036 986797697 /nfs/dbraw/zinc/79/76/97/986797697.db2.gz ODTRYJMLBYWFDP-GHMZBOCLSA-N 2 0 242.754 1.396 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+]Cc2cc3n(n2)CCC3)C1 ZINC001580389925 986816856 /nfs/dbraw/zinc/81/68/56/986816856.db2.gz XXHWTNKISFSNMG-WDEREUQCSA-N 2 0 234.347 1.046 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@H](c3ccncn3)C2)C1 ZINC001580418855 986836403 /nfs/dbraw/zinc/83/64/03/986836403.db2.gz IOOQRXPGFNYBEF-RWMBFGLXSA-N 2 0 246.358 1.393 20 0 BDADRP [NH3+][C@H]1CC[C@H]([NH2+]Cc2ncccc2F)CC1 ZINC001580419795 986839217 /nfs/dbraw/zinc/83/92/17/986839217.db2.gz MUGHLXZIZFBMIG-MGCOHNPYSA-N 2 0 223.295 1.580 20 0 BDADRP C[N@@H+]1CCC[C@@H](Nc2ccc(CC[NH3+])cc2)C1 ZINC001255467935 986973500 /nfs/dbraw/zinc/97/35/00/986973500.db2.gz LXWLUNARLSGQKE-CQSZACIVSA-N 2 0 233.359 1.694 20 0 BDADRP COC[C@@H](C)[N@@H+]1CCCC[C@H](CCC[NH3+])C1 ZINC001255566235 987020458 /nfs/dbraw/zinc/02/04/58/987020458.db2.gz DXHONKYZFFNOSE-CHWSQXEVSA-N 2 0 228.380 1.862 20 0 BDADRP c1[nH+]cn2cc(-c3cc4c(nn3)C[NH2+]C4)ccc12 ZINC001245894439 987105092 /nfs/dbraw/zinc/10/50/92/987105092.db2.gz KVDROIZUCFEKBW-UHFFFAOYSA-N 2 0 237.266 1.395 20 0 BDADRP CCC[C@H](O)C[NH2+]C[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001245974807 987248476 /nfs/dbraw/zinc/24/84/76/987248476.db2.gz NXIPJEWJWLMZML-WOPDTQHZSA-N 2 0 214.353 1.125 20 0 BDADRP CCCCC[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC001245981728 987256073 /nfs/dbraw/zinc/25/60/73/987256073.db2.gz BIHRDXLMTROCET-JHJVBQTASA-N 2 0 228.380 1.787 20 0 BDADRP CCCC[C@H](O)C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001245980228 987261588 /nfs/dbraw/zinc/26/15/88/987261588.db2.gz HLMDUTSNNYKQNR-NEPJUHHUSA-N 2 0 214.353 1.127 20 0 BDADRP C[C@@](O)(C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC001245993381 987272998 /nfs/dbraw/zinc/27/29/98/987272998.db2.gz GRLYRACWLDKKOF-RRFJBIMHSA-N 2 0 248.370 1.754 20 0 BDADRP CC(C)(C)OC[C@@H](O)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC001245994444 987275439 /nfs/dbraw/zinc/27/54/39/987275439.db2.gz KPEBDLNAKXIVQQ-TUAOUCFPSA-N 2 0 244.379 1.022 20 0 BDADRP CC(C)(C)[C@@H](O)C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246016565 987301220 /nfs/dbraw/zinc/30/12/20/987301220.db2.gz LZVRSJDHEDJVEH-MNOVXSKESA-N 2 0 214.353 1.207 20 0 BDADRP C[C@H]1CC[N@H+](CC(C)(C)O)CC[C@H]1C[NH3+] ZINC001246024158 987303103 /nfs/dbraw/zinc/30/31/03/987303103.db2.gz QRGMLDSVUXOEHB-QWRGUYRKSA-N 2 0 214.353 1.064 20 0 BDADRP CC(C)(C)[C@H](O)C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246019625 987305269 /nfs/dbraw/zinc/30/52/69/987305269.db2.gz GPHXRWJDZACERQ-TZMCWYRMSA-N 2 0 242.407 1.844 20 0 BDADRP CC(C)(C)[C@H](O)C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246020801 987306066 /nfs/dbraw/zinc/30/60/66/987306066.db2.gz MEYMLBJDSSUWOV-YPMHNXCESA-N 2 0 246.370 1.546 20 0 BDADRP CCC[C@H](O)C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246019122 987307890 /nfs/dbraw/zinc/30/78/90/987307890.db2.gz HIOOELRLRBHMBD-RYUDHWBXSA-N 2 0 214.353 1.351 20 0 BDADRP CCC[C@H](O)C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246022120 987312934 /nfs/dbraw/zinc/31/29/34/987312934.db2.gz OWPOJPBODHRCSU-QWHCGFSZSA-N 2 0 228.380 1.598 20 0 BDADRP CCC[C@@H](O)C[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246022845 987313358 /nfs/dbraw/zinc/31/33/58/987313358.db2.gz PHPSBSYAJRLMKG-VXGBXAGGSA-N 2 0 232.343 1.300 20 0 BDADRP C[C@H](O)CCC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693707063 987313667 /nfs/dbraw/zinc/31/36/67/987313667.db2.gz QAVDYTYXKFYPFR-RVMXOQNASA-N 2 0 240.391 1.514 20 0 BDADRP CCCC[C@H](O)C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246025343 987320671 /nfs/dbraw/zinc/32/06/71/987320671.db2.gz WWWSCXFZBIBQBA-KBPBESRZSA-N 2 0 242.407 1.988 20 0 BDADRP C[C@H](Cc1ccccn1)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000694054248 987321418 /nfs/dbraw/zinc/32/14/18/987321418.db2.gz FZHZPYQEOKRFGZ-BNOWGMLFSA-N 2 0 245.370 1.872 20 0 BDADRP C[C@H](Cc1ccccn1)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000694054252 987322050 /nfs/dbraw/zinc/32/20/50/987322050.db2.gz FZHZPYQEOKRFGZ-MRVWCRGKSA-N 2 0 245.370 1.872 20 0 BDADRP CCCCC[C@@H](O)C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246028125 987325528 /nfs/dbraw/zinc/32/55/28/987325528.db2.gz ABPYXJATMQMKSR-ZIAGYGMSSA-N 2 0 242.407 1.988 20 0 BDADRP CC(C)OC1CC([NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC001473114906 987335552 /nfs/dbraw/zinc/33/55/52/987335552.db2.gz FUNCEOKKMRNJQG-OKZRHMCRSA-N 2 0 224.348 1.094 20 0 BDADRP CC(C)OC1CC([NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC001473114909 987338251 /nfs/dbraw/zinc/33/82/51/987338251.db2.gz FUNCEOKKMRNJQG-ZSVAQUKISA-N 2 0 224.348 1.094 20 0 BDADRP C([C@H]1CCCC[NH2+]C1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000697052232 987347360 /nfs/dbraw/zinc/34/73/60/987347360.db2.gz LZRYJRQTQIUPSK-RWMBFGLXSA-N 2 0 224.348 1.239 20 0 BDADRP CCOCC[N@H+](CC)C[C@@H]1CCCC[NH2+]C1 ZINC000697054818 987347567 /nfs/dbraw/zinc/34/75/67/987347567.db2.gz GZDNWKGXOSASMB-CYBMUJFWSA-N 2 0 228.380 1.735 20 0 BDADRP CC[N@H+](C[C@H]1CCCC[NH2+]C1)[C@@H]1CCCOC1 ZINC000697033789 987347961 /nfs/dbraw/zinc/34/79/61/987347961.db2.gz JEGUNDBFYKUQCH-UONOGXRCSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCC[NH2+]C2)CCS1 ZINC000697054095 987348118 /nfs/dbraw/zinc/34/81/18/987348118.db2.gz ZZDVNRVRNFSCRE-VXGBXAGGSA-N 2 0 228.405 1.813 20 0 BDADRP C[N@H+](CCOCC1CC1)C[C@H]1CCCC[NH2+]C1 ZINC000697090375 987349613 /nfs/dbraw/zinc/34/96/13/987349613.db2.gz YYBOYYVTOYQIIU-AWEZNQCLSA-N 2 0 240.391 1.735 20 0 BDADRP Fc1ccc(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)cc1 ZINC001246071122 987355298 /nfs/dbraw/zinc/35/52/98/987355298.db2.gz GZVCNQQOOHYDNW-CYBMUJFWSA-N 2 0 249.333 1.009 20 0 BDADRP Cc1ccccc1C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246072705 987359719 /nfs/dbraw/zinc/35/97/19/987359719.db2.gz RTWWWDYTBAOBBV-AWEZNQCLSA-N 2 0 245.370 1.179 20 0 BDADRP C[NH+](C)C1(CNC2=[NH+]CCCCN2)CCCC1 ZINC000697670980 987363614 /nfs/dbraw/zinc/36/36/14/987363614.db2.gz QESSRNUIEJBRQD-UHFFFAOYSA-N 2 0 238.379 1.190 20 0 BDADRP CC[C@H](C)OCC[C@@H](C)[NH2+]C1CC[NH2+]CC1 ZINC001246080266 987370840 /nfs/dbraw/zinc/37/08/40/987370840.db2.gz QMVSTDDDQYAZQG-NEPJUHHUSA-N 2 0 228.380 1.922 20 0 BDADRP CCCC[C@H](C)[NH2+]C[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001246079116 987373267 /nfs/dbraw/zinc/37/32/67/987373267.db2.gz CMDWAHUVPCADPP-SDDRHHMPSA-N 2 0 232.343 1.217 20 0 BDADRP C[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCOC1 ZINC000699316182 987373304 /nfs/dbraw/zinc/37/33/04/987373304.db2.gz XLYTXQUCULEJIY-PSEXLTFBSA-N 2 0 224.348 1.238 20 0 BDADRP C[C@@H]1CC(N[C@@H](C[NH3+])c2ccccc2)C[C@@H](C)[NH2+]1 ZINC001246079542 987373552 /nfs/dbraw/zinc/37/35/52/987373552.db2.gz ZYEWZEJMPBLJJG-JMSVASOKSA-N 2 0 247.386 1.805 20 0 BDADRP CC[C@H]1C[C@@H]([NH2+]C2CC[NH2+]CC2)CCO1 ZINC001246080569 987375943 /nfs/dbraw/zinc/37/59/43/987375943.db2.gz RKCFQYWMGGUFPH-RYUDHWBXSA-N 2 0 212.337 1.286 20 0 BDADRP CCCC(CCC)[NH2+][C@@H](C)CN1CC[NH2+]CC1 ZINC001246081501 987378092 /nfs/dbraw/zinc/37/80/92/987378092.db2.gz SSWTUSRWMKAIHS-ZDUSSCGKSA-N 2 0 241.423 1.839 20 0 BDADRP Cc1ccc(C[NH3+])nc1N(C)[C@@H]1CCC[NH2+]C1 ZINC001246088488 987391471 /nfs/dbraw/zinc/39/14/71/987391471.db2.gz KCAUAWSUXVPINQ-GFCCVEGCSA-N 2 0 234.347 1.037 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246090964 987392437 /nfs/dbraw/zinc/39/24/37/987392437.db2.gz CEMBTSOQRCXQRV-UTUOFQBUSA-N 2 0 225.380 1.105 20 0 BDADRP CC[C@@H]1C[C@H](N[C@]2(C)CC[NH2+]C2)C[C@H](CC)[NH2+]1 ZINC001246092370 987398366 /nfs/dbraw/zinc/39/83/66/987398366.db2.gz BPIJZABICUZEKO-ZOBORPQBSA-N 2 0 239.407 1.637 20 0 BDADRP C1C[C@@H]2C[C@@H](N[C@@H]3CCCC[NH2+]C3)C[C@H](C1)[NH2+]2 ZINC001246093457 987401829 /nfs/dbraw/zinc/40/18/29/987401829.db2.gz WRVVNSWAURSDCL-XJFOESAGSA-N 2 0 237.391 1.391 20 0 BDADRP CCSC[C@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H](C)C1 ZINC001246097715 987407694 /nfs/dbraw/zinc/40/76/94/987407694.db2.gz IAXJUPPMZHEIGX-WOPDTQHZSA-N 2 0 230.421 1.963 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@H]2CCC3(C[NH2+]C3)C2)C[NH2+]1 ZINC001246097338 987408299 /nfs/dbraw/zinc/40/82/99/987408299.db2.gz NVOUVLZHQXCHNW-AGIUHOORSA-N 3 0 237.391 1.106 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCC3(C[NH2+]C3)C2)C[NH2+]1 ZINC001246097342 987408352 /nfs/dbraw/zinc/40/83/52/987408352.db2.gz NVOUVLZHQXCHNW-JHJVBQTASA-N 3 0 237.391 1.106 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]C[C@H]2C[NH2+]C[C@H](C)C2)CCO1 ZINC001246096040 987409976 /nfs/dbraw/zinc/40/99/76/987409976.db2.gz CVCPPVOONPNCKZ-AAVRWANBSA-N 2 0 240.391 1.779 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@H](C)C2)C1 ZINC001246098557 987412180 /nfs/dbraw/zinc/41/21/80/987412180.db2.gz JVELDMQJLMFHTL-ZOBORPQBSA-N 2 0 240.391 1.779 20 0 BDADRP F[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246098356 987412428 /nfs/dbraw/zinc/41/24/28/987412428.db2.gz AOGRVZYHAZGAQD-JPIWQCGSSA-N 2 0 212.312 1.750 20 0 BDADRP C[C@@H]1CC[C@@H](CNC2C[C@@H]3C=C[C@H](C2)[NH2+]3)[NH2+]C1 ZINC001246102330 987425199 /nfs/dbraw/zinc/42/51/99/987425199.db2.gz DBTDOVTYNJOJFK-JABUTEAWSA-N 2 0 235.375 1.023 20 0 BDADRP C[C@H]1C[C@H](NCCCC2CC[NH2+]CC2)C[NH2+]1 ZINC001246102725 987428652 /nfs/dbraw/zinc/42/86/52/987428652.db2.gz DZCDNGSRRWWCMW-AAEUAGOBSA-N 2 0 225.380 1.106 20 0 BDADRP CC[C@@H]1C[C@H](N[C@@H]2C[NH2+]CC[C@H]2C)CC[NH2+]1 ZINC001246103513 987428821 /nfs/dbraw/zinc/42/88/21/987428821.db2.gz WCMZDTFIHVIQDO-FDYHWXHSSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1C[C@H](NCCCC2CC[NH2+]CC2)C[NH2+]1 ZINC001246102728 987429106 /nfs/dbraw/zinc/42/91/06/987429106.db2.gz DZCDNGSRRWWCMW-YPMHNXCESA-N 2 0 225.380 1.106 20 0 BDADRP CC(C)[C@H]1C[C@H](N[C@@H]2C[NH2+]CC[C@H]2C)CC[NH2+]1 ZINC001246103065 987430455 /nfs/dbraw/zinc/43/04/55/987430455.db2.gz SPTMQABKVNIHCT-AAVRWANBSA-N 2 0 239.407 1.351 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CCCC2CC[NH2+]CC2)CN1 ZINC001246105431 987433926 /nfs/dbraw/zinc/43/39/26/987433926.db2.gz MMJQFBFHVIJOCJ-TZMCWYRMSA-N 2 0 239.407 1.496 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246106679 987434264 /nfs/dbraw/zinc/43/42/64/987434264.db2.gz DXKKBSVZILMTNH-IZXDZPFWSA-N 2 0 237.391 1.247 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1C[NH2+][C@@H]1CCC2(C[NH2+]C2)C1 ZINC001246108453 987436625 /nfs/dbraw/zinc/43/66/25/987436625.db2.gz HVBYFSBGYOLSRA-RWMBFGLXSA-N 3 0 237.391 1.106 20 0 BDADRP C[C@@H]1CC([NH2+]C[C@H]2C[NH2+]C[C@@H](C)C2)C[C@@H](C)O1 ZINC001246106526 987437298 /nfs/dbraw/zinc/43/72/98/987437298.db2.gz XZTZXYJNKPLYHG-UMSGYPCISA-N 2 0 240.391 1.778 20 0 BDADRP C[C@H]1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)O3)[NH2+]C1 ZINC001246106997 987438124 /nfs/dbraw/zinc/43/81/24/987438124.db2.gz RUELDWNBNNBHKS-WSOGJNRSSA-N 2 0 238.375 1.674 20 0 BDADRP CC(C)(C)C(=[NH2+])NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246109036 987441808 /nfs/dbraw/zinc/44/18/08/987441808.db2.gz IPDYMKMRIAFPKI-ULKQDVFKSA-N 2 0 209.337 1.882 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2C)C[C@H](C)O1 ZINC001246109198 987442013 /nfs/dbraw/zinc/44/20/13/987442013.db2.gz FWCVVOBSPXNJJQ-HPCHECBXSA-N 2 0 240.391 1.778 20 0 BDADRP CC[C@@H]1C[C@H](NC[C@H]2CC[C@@H](C)C[NH2+]2)CC[NH2+]1 ZINC001246110232 987442744 /nfs/dbraw/zinc/44/27/44/987442744.db2.gz HSXXDBXMQMMUEH-AAVRWANBSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H]1C[C@@H](NC[C@@H]2C[NH2+]CC[C@@H]2C)C[C@H](C)[NH2+]1 ZINC001246112115 987445350 /nfs/dbraw/zinc/44/53/50/987445350.db2.gz NBBYLIVMZKRPGO-HPCHECBXSA-N 3 0 239.407 1.351 20 0 BDADRP C[C@@H]1CC[C@H](N2C[C@H]([NH3+])Cc3ccccc32)C[NH2+]1 ZINC001246112284 987447882 /nfs/dbraw/zinc/44/78/82/987447882.db2.gz GDGKSDMFFOQDJV-BNOWGMLFSA-N 2 0 245.370 1.517 20 0 BDADRP CSCC[C@H](C)[NH2+]C[C@@H]1C[NH2+]CC[C@H]1C ZINC001246114048 987449022 /nfs/dbraw/zinc/44/90/22/987449022.db2.gz RWIHKDIYNNEFDC-WOPDTQHZSA-N 2 0 230.421 1.963 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+][C@@H]1CCCSC1 ZINC001246113845 987449071 /nfs/dbraw/zinc/44/90/71/987449071.db2.gz UKOGGCWQJKRUDY-QJPTWQEYSA-N 2 0 228.405 1.860 20 0 BDADRP CCCC[C@@H]1C[C@@H](N[C@@H]2C[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC001246113577 987450151 /nfs/dbraw/zinc/45/01/51/987450151.db2.gz DDRBFCDBDCVHSA-RFQIPJPRSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC001246115564 987454602 /nfs/dbraw/zinc/45/46/02/987454602.db2.gz ZABGJUZSMHCTIR-RWMBFGLXSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H]1C[NH2+]CCC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246117098 987457781 /nfs/dbraw/zinc/45/77/81/987457781.db2.gz IGWQXYIZXUNWRE-MWWBDVBNSA-N 2 0 237.391 1.247 20 0 BDADRP C[C@@H]1C[NH2+]CCC[C@@H]1N[C@@H]1CCCC[NH2+]C1 ZINC001246117905 987458582 /nfs/dbraw/zinc/45/85/82/987458582.db2.gz NCJDWMNYNYFNTK-UPJWGTAASA-N 2 0 225.380 1.106 20 0 BDADRP C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCC[NH2+]C1 ZINC001246116942 987460739 /nfs/dbraw/zinc/46/07/39/987460739.db2.gz HBKMJLIJIGDMBF-ICIURTGMSA-N 2 0 237.391 1.249 20 0 BDADRP CCCC[C@@H](CC(C)C)[NH2+]CCC1(O)C[NH2+]C1 ZINC001246120255 987467632 /nfs/dbraw/zinc/46/76/32/987467632.db2.gz ZRSQOCCITFBMRW-ZDUSSCGKSA-N 2 0 242.407 1.905 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC3(C2)CC[NH2+]CC3)C[NH2+]1 ZINC001246123488 987471061 /nfs/dbraw/zinc/47/10/61/987471061.db2.gz APUMSRVPVJLHCY-FRRDWIJNSA-N 3 0 237.391 1.249 20 0 BDADRP C[C@H]1CC[C@@H](N(CC[NH3+])Cc2ccccc2)C[NH2+]1 ZINC001246126729 987471639 /nfs/dbraw/zinc/47/16/39/987471639.db2.gz IRTPQUJEJLMIFR-DZGCQCFKSA-N 2 0 247.386 1.588 20 0 BDADRP C[C@@H]1C[C@H](NC[C@]23CCC[C@H]2C[NH2+]C3)CC[NH2+]1 ZINC001246127396 987474527 /nfs/dbraw/zinc/47/45/27/987474527.db2.gz KKIOMTJLYRLMAF-XJFOESAGSA-N 2 0 237.391 1.106 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@H]2C[NH2+]CC23CC3)CC1 ZINC001246129718 987475927 /nfs/dbraw/zinc/47/59/27/987475927.db2.gz HHFBZHFGMIDNNV-BPCQOVAHSA-N 3 0 237.391 1.201 20 0 BDADRP C[C@@H]1CCC[C@@H]([NH2+][C@H]2C[NH2+]CC23CC3)C1 ZINC001246129752 987479090 /nfs/dbraw/zinc/47/90/90/987479090.db2.gz HVYKHKKGEDMLPD-UTUOFQBUSA-N 2 0 208.349 1.907 20 0 BDADRP C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@]12CCC[C@H]1C[NH2+]C2 ZINC001246127942 987479496 /nfs/dbraw/zinc/47/94/96/987479496.db2.gz LYKLCEXKMWYOMX-DFKRWLTFSA-N 2 0 249.402 1.249 20 0 BDADRP CC[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CC23CC3)C1 ZINC001246133417 987486973 /nfs/dbraw/zinc/48/69/73/987486973.db2.gz NXHWYFSATUPRNO-GRYCIOLGSA-N 2 0 208.349 1.907 20 0 BDADRP c1ccc([C@@H]2[NH2+]CC[C@H]2N[C@@H]2CC[NH2+]C2)cc1 ZINC001246144137 987496832 /nfs/dbraw/zinc/49/68/32/987496832.db2.gz RXSNPGZSDCZHGV-MCIONIFRSA-N 2 0 231.343 1.041 20 0 BDADRP C1CC2(CC[NH2+]CC2)[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246139032 987498348 /nfs/dbraw/zinc/49/83/48/987498348.db2.gz QIHQGQPMHYSCRX-PIGZVRMJSA-N 3 0 249.402 1.391 20 0 BDADRP C([NH2+][C@@H]1C[C@H]2C[C@H]2C1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001246143355 987499599 /nfs/dbraw/zinc/49/95/99/987499599.db2.gz JUWAOVMHYJCGIR-XJFOESAGSA-N 2 0 249.402 1.249 20 0 BDADRP CCCCCC[C@@H](C)[NH2+][C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001246139670 987499858 /nfs/dbraw/zinc/49/98/58/987499858.db2.gz VEPAZWVWQPZOER-AAVRWANBSA-N 2 0 240.391 1.922 20 0 BDADRP CC[C@@H](C)C[C@@H](CC)[NH2+][C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001246139896 987499921 /nfs/dbraw/zinc/49/99/21/987499921.db2.gz XOROEVNUHAOOGU-DHGKCCLASA-N 2 0 240.391 1.778 20 0 BDADRP CCCC[C@@H]1C[C@@H](N[C@]23C[C@H]2C[NH2+]C3)CC[NH2+]1 ZINC001246153362 987510994 /nfs/dbraw/zinc/51/09/94/987510994.db2.gz YGSIYYLUESGBKG-CRWXNKLISA-N 2 0 237.391 1.249 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCC(=O)OC(C)(C)C)CC[NH2+]1 ZINC001246153204 987513903 /nfs/dbraw/zinc/51/39/03/987513903.db2.gz MJAZYYSGNSEKAJ-MNOVXSKESA-N 2 0 242.363 1.448 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CCCC[NH+]2CCCC2)CN1 ZINC001246162355 987522654 /nfs/dbraw/zinc/52/26/54/987522654.db2.gz OZWGTRDCUMUHBX-ZIAGYGMSSA-N 2 0 239.407 1.593 20 0 BDADRP C[C@H]1CC[C@H]([NH2+]C23CCC([NH3+])(CC2)CC3)CN1 ZINC001246164180 987527435 /nfs/dbraw/zinc/52/74/35/987527435.db2.gz UBHLVQDFVPUIOQ-FEPKRQSRSA-N 2 0 237.391 1.521 20 0 BDADRP CCCC[N@H+](C)CCN[C@H]1CCC[NH2+]C1 ZINC001246168895 987532328 /nfs/dbraw/zinc/53/23/28/987532328.db2.gz FWXNYQCHKZDCLH-LBPRGKRZSA-N 2 0 213.369 1.060 20 0 BDADRP CC(C)[C@@H]1C[C@@H](NC[C@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001246171412 987532587 /nfs/dbraw/zinc/53/25/87/987532587.db2.gz VPQRERAYULSEQX-MJBXVCDLSA-N 2 0 239.407 1.495 20 0 BDADRP CC[C@@H]1C[C@H](NC[C@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001246172127 987536057 /nfs/dbraw/zinc/53/60/57/987536057.db2.gz ZOBLTYPNMXTAHL-JHJVBQTASA-N 2 0 225.380 1.249 20 0 BDADRP Cc1ncn([C@@H]2CC[NH2+][C@H](C)C2)c1CC[NH3+] ZINC001246179252 987547728 /nfs/dbraw/zinc/54/77/28/987547728.db2.gz OXOWNSTZGGQUEE-MWLCHTKSSA-N 2 0 222.336 1.006 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC23CC[NH2+]CC3)CN1 ZINC001246184485 987561955 /nfs/dbraw/zinc/56/19/55/987561955.db2.gz SKZLXBOEAFBPBA-AGIUHOORSA-N 2 0 237.391 1.106 20 0 BDADRP CC1(C)CC([NH3+])CC(C)(C)N1[C@H]1CCC[NH2+]C1 ZINC001246186634 987565023 /nfs/dbraw/zinc/56/50/23/987565023.db2.gz JLTLIOWFXSCNCQ-LBPRGKRZSA-N 2 0 239.407 1.719 20 0 BDADRP CC[C@@H]1CC(NC[C@@H]2CCC[NH2+]2)C[C@@H](CC)[NH2+]1 ZINC001246187775 987570045 /nfs/dbraw/zinc/57/00/45/987570045.db2.gz CYSSONGYVXUSFR-UPJWGTAASA-N 2 0 239.407 1.637 20 0 BDADRP CSCC[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001473842597 987581975 /nfs/dbraw/zinc/58/19/75/987581975.db2.gz RMXAJKUSJUENRT-MNOVXSKESA-N 2 0 214.378 1.233 20 0 BDADRP COCC1([NH2+][C@@H]2CC[NH2+][C@@H](C)C2)CCC1 ZINC001246196513 987590231 /nfs/dbraw/zinc/59/02/31/987590231.db2.gz SXWSAZXVQCKJRN-WDEREUQCSA-N 2 0 212.337 1.286 20 0 BDADRP C[C@H](Cc1cccnc1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC001246197503 987590992 /nfs/dbraw/zinc/59/09/92/987590992.db2.gz KVRVMGVEBBIRBC-OCCSQVGLSA-N 2 0 233.359 1.602 20 0 BDADRP C[C@@H](Cc1ccncc1)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC001246204208 987600828 /nfs/dbraw/zinc/60/08/28/987600828.db2.gz GMVIVNNCFXTANV-IACUBPJLSA-N 2 0 233.359 1.872 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C2(CO)CCCC2)CC[NH2+]1 ZINC001246206096 987602603 /nfs/dbraw/zinc/60/26/03/987602603.db2.gz XKWPIUBTJABGPX-QWRGUYRKSA-N 2 0 212.337 1.022 20 0 BDADRP C[NH2+]CC[C@@H](C)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC001246209922 987607937 /nfs/dbraw/zinc/60/79/37/987607937.db2.gz KBPNGIVKLSNMMW-JHJVBQTASA-N 3 0 227.396 1.339 20 0 BDADRP CCCC[C@H](CO)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC001246212613 987610054 /nfs/dbraw/zinc/61/00/54/987610054.db2.gz VZBPKWIJDXLMLG-IJLUTSLNSA-N 2 0 214.353 1.268 20 0 BDADRP CC(C)[C@H]1C[C@@H](N[C@H]2C[NH2+]CC[C@H]2F)CC[NH2+]1 ZINC001246217440 987614266 /nfs/dbraw/zinc/61/42/66/987614266.db2.gz JZJRQLMLBRJPPO-LOWDOPEQSA-N 2 0 243.370 1.053 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC(C)(C)O2)CC[NH2+]1 ZINC001246224674 987622636 /nfs/dbraw/zinc/62/26/36/987622636.db2.gz XZRBSFYNCXHNRI-GMTAPVOTSA-N 2 0 212.337 1.284 20 0 BDADRP CCC[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246226767 987622879 /nfs/dbraw/zinc/62/28/79/987622879.db2.gz BQQKHMSZMNBDMA-FBTJUVTCSA-N 2 0 212.337 1.020 20 0 BDADRP C[C@@H]1CC[C@@H](N[C@H]2CCCC[C@@H]2[NH+](C)C)C[NH2+]1 ZINC001246235362 987631948 /nfs/dbraw/zinc/63/19/48/987631948.db2.gz JZGKSLJYUNIDMA-MQYQWHSLSA-N 2 0 239.407 1.589 20 0 BDADRP C[C@H]1CC[C@H](n2ncc3cccc(C[NH3+])c32)C[NH2+]1 ZINC001246238496 987637021 /nfs/dbraw/zinc/63/70/21/987637021.db2.gz FZNNCCCQJMMUII-GWCFXTLKSA-N 2 0 244.342 1.808 20 0 BDADRP C[C@@H]1C[C@@H](n2cc3c(n2)CC[C@H]([NH3+])C3)CC[NH2+]1 ZINC001246238931 987637501 /nfs/dbraw/zinc/63/75/01/987637501.db2.gz QVWJELBWXSNAPG-USWWRNFRSA-N 2 0 234.347 1.012 20 0 BDADRP [NH3+]Cc1cccc2c1cnn2C1CC[NH2+]CC1 ZINC001246238361 987638829 /nfs/dbraw/zinc/63/88/29/987638829.db2.gz FVTDQPLNKHNUTJ-UHFFFAOYSA-N 2 0 230.315 1.420 20 0 BDADRP CO[C@H]1CC[C@H]([NH2+]C2CC[NH2+]CC2)CC1 ZINC001246241356 987642296 /nfs/dbraw/zinc/64/22/96/987642296.db2.gz ZUTUPHRFUDUWFE-UMSPYCQHSA-N 2 0 212.337 1.286 20 0 BDADRP C[C@@H]1CC[C@H](n2ncc3c2cccc3C[NH3+])C[NH2+]1 ZINC001246241141 987642525 /nfs/dbraw/zinc/64/25/25/987642525.db2.gz QLABQQSATUVADK-PWSUYJOCSA-N 2 0 244.342 1.808 20 0 BDADRP C[C@@H]([NH3+])c1ccn([C@H]2CC[NH2+][C@H](C)C2)n1 ZINC001246249337 987650076 /nfs/dbraw/zinc/65/00/76/987650076.db2.gz OKWJOQQFGZOXOP-BBBLOLIVSA-N 2 0 208.309 1.216 20 0 BDADRP C[C@H]1C[C@H](N[C@@H](C[NH3+])Cc2ccccc2)CC[NH2+]1 ZINC001246265308 987657663 /nfs/dbraw/zinc/65/76/63/987657663.db2.gz IXBFGBXEBLVBBT-NWANDNLSSA-N 2 0 247.386 1.287 20 0 BDADRP CCC[NH2+]CCN[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246268110 987661635 /nfs/dbraw/zinc/66/16/35/987661635.db2.gz HYOIRHZVYJALSP-QWHCGFSZSA-N 2 0 241.423 1.742 20 0 BDADRP CCC[NH2+]CCN[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246270367 987667283 /nfs/dbraw/zinc/66/72/83/987667283.db2.gz NYBKEMYSTOFZFQ-GFCCVEGCSA-N 2 0 225.380 1.250 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC2(c3ccccn3)CC2)CC[NH2+]1 ZINC001246276034 987669463 /nfs/dbraw/zinc/66/94/63/987669463.db2.gz ALTKBRPTKLCVFR-QWHCGFSZSA-N 2 0 245.370 1.843 20 0 BDADRP CC[C@@H]1CC(N[C@@H]2CCC[C@H]2[NH3+])C[C@@H](CC)[NH2+]1 ZINC001246279319 987672526 /nfs/dbraw/zinc/67/25/26/987672526.db2.gz MQIIKAYRXCSHRA-HBJVGIJOSA-N 2 0 239.407 1.765 20 0 BDADRP C[NH2+]CC[C@@H](C)NC[C@@H]([NH3+])c1ccccc1 ZINC001246280763 987675977 /nfs/dbraw/zinc/67/59/77/987675977.db2.gz WJCJWGJGOMGJDS-DGCLKSJQSA-N 2 0 221.348 1.274 20 0 BDADRP CC1(C)C[C@@H](N[C@H]2CCC[NH2+]C2)C(C)(C)N1O ZINC001246285193 987679137 /nfs/dbraw/zinc/67/91/37/987679137.db2.gz GOAFJTCBSIXZOX-WDEREUQCSA-N 2 0 241.379 1.349 20 0 BDADRP C[C@@H](CC[NH3+])[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246299379 987694564 /nfs/dbraw/zinc/69/45/64/987694564.db2.gz HRSAMOILZVUGEL-HSBZDZAISA-N 3 0 239.407 1.626 20 0 BDADRP CCCC[C@@H]1C[C@H](N[C@H](C)CC[NH3+])CC[NH2+]1 ZINC001246299979 987694977 /nfs/dbraw/zinc/69/49/77/987694977.db2.gz LBSKUPMYKLZLHF-JHJVBQTASA-N 2 0 227.396 1.624 20 0 BDADRP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CC[C@H](C)[NH3+])C1 ZINC001246304892 987700972 /nfs/dbraw/zinc/70/09/72/987700972.db2.gz MSGQHABWXBBAKE-GARJFASQSA-N 2 0 228.336 1.045 20 0 BDADRP CC[C@H]1CC(NCC[C@@H](C)[NH3+])C[C@H](CC)[NH2+]1 ZINC001246306660 987704879 /nfs/dbraw/zinc/70/48/79/987704879.db2.gz RHFBROUPAIWLTA-WOPDTQHZSA-N 2 0 227.396 1.623 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001246306674 987705136 /nfs/dbraw/zinc/70/51/36/987705136.db2.gz RRIQSCUCXXIICP-UKKRHICBSA-N 2 0 210.321 1.071 20 0 BDADRP COC(=O)[C@@H]1CCC[C@H]([NH2+]CC[C@H](C)[NH3+])C1 ZINC001246307611 987708352 /nfs/dbraw/zinc/70/83/52/987708352.db2.gz ZJOFHXHOAPFIBB-AXFHLTTASA-N 2 0 228.336 1.045 20 0 BDADRP C[C@@H]([NH3+])CCN[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246307637 987708646 /nfs/dbraw/zinc/70/86/46/987708646.db2.gz ZWXGISGYLMFYJB-CHWSQXEVSA-N 2 0 239.407 1.768 20 0 BDADRP CCCC[C@@H]1C[C@H](NC[C@@H]([NH3+])CC)CC[NH2+]1 ZINC001246312070 987710806 /nfs/dbraw/zinc/71/08/06/987710806.db2.gz FKEUQDPEUXQHOB-YNEHKIRRSA-N 2 0 227.396 1.624 20 0 BDADRP CC[C@@H]([NH3+])CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001246309884 987712973 /nfs/dbraw/zinc/71/29/73/987712973.db2.gz BJDBRTZAECGEGB-ODWCKFRGSA-N 2 0 225.380 1.329 20 0 BDADRP CC[C@H]([NH3+])CCN[C@@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246310188 987713156 /nfs/dbraw/zinc/71/31/56/987713156.db2.gz ZNYGAXXHOJLTFB-XQQFMLRXSA-N 2 0 227.396 1.480 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC001246312131 987714710 /nfs/dbraw/zinc/71/47/10/987714710.db2.gz GCLHASVIBJDRNQ-QWHCGFSZSA-N 3 0 229.412 1.824 20 0 BDADRP CC[C@H]([NH3+])CN[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246314011 987717840 /nfs/dbraw/zinc/71/78/40/987717840.db2.gz MIPQUODUAAPLFQ-QWHCGFSZSA-N 2 0 239.407 1.768 20 0 BDADRP CC[C@H]([NH3+])C[NH2+]C1CCC(CC(=O)OC)CC1 ZINC001246315686 987721295 /nfs/dbraw/zinc/72/12/95/987721295.db2.gz VFJJWQOWQWVWLH-CXQJBGSLSA-N 2 0 242.363 1.435 20 0 BDADRP CO[C@H](C)C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001474443041 987722247 /nfs/dbraw/zinc/72/22/47/987722247.db2.gz PHZZSILHCOUQBT-OLZOCXBDSA-N 2 0 244.379 1.112 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@H]1CCOC(C)(C)C1 ZINC001246318675 987723930 /nfs/dbraw/zinc/72/39/30/987723930.db2.gz TVLZIUILFQCSLH-ZJUUUORDSA-N 2 0 200.326 1.271 20 0 BDADRP CC[C@H]([NH3+])C[NH2+]C1CCC2(CC[NH2+]C2)CC1 ZINC001246317599 987724038 /nfs/dbraw/zinc/72/40/38/987724038.db2.gz OAFMEXSFWXHOFS-HIFPTAJRSA-N 3 0 225.380 1.236 20 0 BDADRP CC(C)[C@@H]1C[C@H](N[C@H]2CCC[NH2+][C@@H]2C)CC[NH2+]1 ZINC001246322580 987727268 /nfs/dbraw/zinc/72/72/68/987727268.db2.gz BBFHFFXUEFWZJC-MQYQWHSLSA-N 2 0 239.407 1.493 20 0 BDADRP C[C@@H]1CC(N[C@H]2CCC[NH2+][C@@H]2C)C[C@@H](C)[NH2+]1 ZINC001246326407 987732282 /nfs/dbraw/zinc/73/22/82/987732282.db2.gz OKDISISQJBTOHP-UZWSLXQKSA-N 2 0 225.380 1.246 20 0 BDADRP C[C@H]1CC[C@H](Nc2ccc(C[NH3+])nc2)C[NH2+]1 ZINC001246328503 987735531 /nfs/dbraw/zinc/73/55/31/987735531.db2.gz YIPBYUJYJJZBNO-ONGXEEELSA-N 2 0 220.320 1.093 20 0 BDADRP CCCC[C@@H]1C[C@H](NC[C@@H]([NH3+])C(C)C)CC[NH2+]1 ZINC001246333037 987741681 /nfs/dbraw/zinc/74/16/81/987741681.db2.gz PVNJNHFHHIOUBF-MGPQQGTHSA-N 2 0 241.423 1.870 20 0 BDADRP COC(CCC[NH2+][C@H]1CC[NH2+][C@H](C)C1)OC ZINC001246342454 987753815 /nfs/dbraw/zinc/75/38/15/987753815.db2.gz OWPXGMDAPAEACE-MNOVXSKESA-N 2 0 230.352 1.116 20 0 BDADRP [NH3+]CCc1cccc(NC2CC[NH2+]CC2)c1 ZINC001246362733 987769253 /nfs/dbraw/zinc/76/92/53/987769253.db2.gz HCKWSASEEHOINJ-UHFFFAOYSA-N 2 0 219.332 1.352 20 0 BDADRP CCCCC[C@H](CC)[NH2+]CCNCC[NH3+] ZINC001246402588 987784448 /nfs/dbraw/zinc/78/44/48/987784448.db2.gz AYAAKKXFJRNHTF-LBPRGKRZSA-N 2 0 215.385 1.483 20 0 BDADRP CCC1(N[C@@H]2CC[C@@H](C)[NH2+]C2)CC[NH2+]CC1 ZINC001246422225 987793645 /nfs/dbraw/zinc/79/36/45/987793645.db2.gz AMIHGPYCEWMCEE-VXGBXAGGSA-N 2 0 225.380 1.249 20 0 BDADRP CC(C)CC[C@@H](C)[NH2+]CCCC[C@H]([NH3+])C(N)=O ZINC001246420095 987795107 /nfs/dbraw/zinc/79/51/07/987795107.db2.gz WQZCXWWTNACEPX-NEPJUHHUSA-N 2 0 243.395 1.384 20 0 BDADRP Cc1ccnc(C2(C[NH2+]C3CC[NH2+]CC3)CC2)c1 ZINC001246441048 987799010 /nfs/dbraw/zinc/79/90/10/987799010.db2.gz YAMZTKMVELIESP-UHFFFAOYSA-N 2 0 245.370 1.763 20 0 BDADRP CCSC[C@@H](C)[NH2+][C@@H]1CC12C[NH2+]C2 ZINC001246445564 987800809 /nfs/dbraw/zinc/80/08/09/987800809.db2.gz PHXSOSFNNFMESG-RKDXNWHRSA-N 2 0 200.351 1.080 20 0 BDADRP COc1cccc(C[C@@H](C)[NH2+][C@H]2CC23C[NH2+]C3)c1 ZINC001246447764 987805226 /nfs/dbraw/zinc/80/52/26/987805226.db2.gz WPGSPWDZGAMVAB-RISCZKNCSA-N 2 0 246.354 1.578 20 0 BDADRP CC(C)OC(=O)CC[C@@H](C)[NH2+][C@H]1CC12C[NH2+]C2 ZINC001246448499 987807305 /nfs/dbraw/zinc/80/73/05/987807305.db2.gz ZAOXAQCRSXODML-MNOVXSKESA-N 2 0 240.347 1.058 20 0 BDADRP CCC[C@@]1(CN[C@H]2CC[NH2+][C@H](C)C2)CC[NH2+]1 ZINC001246454183 987808608 /nfs/dbraw/zinc/80/86/08/987808608.db2.gz AFFXGNARWIGVTH-AGIUHOORSA-N 2 0 225.380 1.249 20 0 BDADRP CC[C@@]1(CN[C@H]2CCCC[NH2+]C2)CCC[NH2+]1 ZINC001246455875 987812189 /nfs/dbraw/zinc/81/21/89/987812189.db2.gz KSWDJTSLYYXVKW-STQMWFEESA-N 2 0 225.380 1.250 20 0 BDADRP C1=CO[C@@H](C[NH2+]C[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001474735462 987813619 /nfs/dbraw/zinc/81/36/19/987813619.db2.gz PMKXLMDTNRQCTH-UONOGXRCSA-N 2 0 236.359 1.611 20 0 BDADRP CC[C@H]1C[C@H](NC[C@]2(CC)CCC[NH2+]2)CC[NH2+]1 ZINC001246458590 987816128 /nfs/dbraw/zinc/81/61/28/987816128.db2.gz ZUNLPTIWDHPKEL-MJBXVCDLSA-N 2 0 239.407 1.639 20 0 BDADRP CC[C@@]1(CN[C@@H]2CC[C@@H](C)[NH2+]C2)CCC[NH2+]1 ZINC001246458141 987816860 /nfs/dbraw/zinc/81/68/60/987816860.db2.gz WSIMJLVOPMNEQE-UPJWGTAASA-N 2 0 225.380 1.249 20 0 BDADRP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H]([NH+](C)C)CC2)CC[NH2+]1 ZINC001246461447 987819035 /nfs/dbraw/zinc/81/90/35/987819035.db2.gz IXQHHNKHHIOLSG-XDQVBPFNSA-N 3 0 239.407 1.589 20 0 BDADRP CC[C@@H]1C[C@@H](N[C@H]2C[C@H]([NH2+]C)C2)C[C@H](CC)[NH2+]1 ZINC001246462981 987822299 /nfs/dbraw/zinc/82/22/99/987822299.db2.gz UEYJACIKKFGOKB-DPFGLZSQSA-N 3 0 239.407 1.636 20 0 BDADRP c1cc2c(cn1)CCC[C@H]2N[C@H]1CCC[NH2+]C1 ZINC001246463723 987823298 /nfs/dbraw/zinc/82/32/98/987823298.db2.gz OOVKIMGBKKICIT-GXTWGEPZSA-N 2 0 231.343 1.801 20 0 BDADRP C[C@H]1C[C@H]([NH2+]Cc2cccc3c2CCN3)CC[NH2+]1 ZINC001246470254 987828549 /nfs/dbraw/zinc/82/85/49/987828549.db2.gz LFLHKWNRIBSKJL-WCQYABFASA-N 2 0 245.370 1.885 20 0 BDADRP O=C1Nc2ccccc2[C@@H]1C[NH2+]C1CC[NH2+]CC1 ZINC001246474133 987831377 /nfs/dbraw/zinc/83/13/77/987831377.db2.gz LBMKMMCANCPLOR-LBPRGKRZSA-N 2 0 245.326 1.064 20 0 BDADRP F[C@H]1C[NH2+]CC[C@H]1C[NH2+]C1CCCC1 ZINC001246474963 987831921 /nfs/dbraw/zinc/83/19/21/987831921.db2.gz CYIIJBQHDXPHIA-ONGXEEELSA-N 2 0 200.301 1.466 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N[C@H]1CCCC[C@H]1[NH3+] ZINC001246478069 987834344 /nfs/dbraw/zinc/83/43/44/987834344.db2.gz NIKBYJAMDFCSMA-MJBXVCDLSA-N 2 0 241.423 1.966 20 0 BDADRP C[C@H](CC1CC1)[NH2+]C[C@@H]1CC[NH2+]C[C@@H]1F ZINC001246478193 987834491 /nfs/dbraw/zinc/83/44/91/987834491.db2.gz UPGFFQLTGDZNRO-USWWRNFRSA-N 2 0 214.328 1.712 20 0 BDADRP [NH3+][C@@H]1CCCC[C@@H]1N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246479172 987836755 /nfs/dbraw/zinc/83/67/55/987836755.db2.gz SFDSPCNYNJQXOR-XQQFMLRXSA-N 2 0 237.391 1.521 20 0 BDADRP F[C@H]1C[NH2+]CC[C@H]1C[NH2+]C1Cc2ccccc2C1 ZINC001246478923 987837320 /nfs/dbraw/zinc/83/73/20/987837320.db2.gz ZNDOBSCBHJRMJF-ZFWWWQNUSA-N 2 0 248.345 1.691 20 0 BDADRP CC(C)N([C@H]1CC[C@H](C)[NH2+]C1)C(C)(C)C[NH3+] ZINC001246501741 987855209 /nfs/dbraw/zinc/85/52/09/987855209.db2.gz CQJIZIOKLWSHPI-RYUDHWBXSA-N 2 0 227.396 1.575 20 0 BDADRP CC[C@H]1C[C@H](N[C@@H]2C[NH2+]C[C@H](C)C2)CC[NH2+]1 ZINC001246500572 987857323 /nfs/dbraw/zinc/85/73/23/987857323.db2.gz XIKVMDSCUXSRMH-XQHKEYJVSA-N 2 0 225.380 1.105 20 0 BDADRP CC(C)(C)[C@@H]1C[C@H](NC23CC([NH3+])(C2)C3)CC[NH2+]1 ZINC001246503606 987857552 /nfs/dbraw/zinc/85/75/52/987857552.db2.gz KYLUDYZRPPMGIB-UJLSLHKQSA-N 2 0 237.391 1.377 20 0 BDADRP C[C@@H]1C[C@@H](N[C@H](C[NH3+])c2ccccc2)C[NH2+]1 ZINC001246506733 987860076 /nfs/dbraw/zinc/86/00/76/987860076.db2.gz JKEFVYGXBQDUCC-RAIGVLPGSA-N 2 0 219.332 1.026 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@]2(C)CCCOC2)CC[NH2+]1 ZINC001246511775 987861132 /nfs/dbraw/zinc/86/11/32/987861132.db2.gz RRXYHFOAHIDQBU-GRYCIOLGSA-N 2 0 212.337 1.286 20 0 BDADRP CCC(CC)[NH2+][C@@H](CCCC[NH3+])C(=O)NC ZINC001246512644 987862006 /nfs/dbraw/zinc/86/20/06/987862006.db2.gz PCHFVGSMZYLVAF-NSHDSACASA-N 2 0 229.368 1.008 20 0 BDADRP CCC[C@@H](C)[NH2+][C@@H](CCCC[NH3+])C(=O)NC ZINC001246510809 987862129 /nfs/dbraw/zinc/86/21/29/987862129.db2.gz ICWVITHUOJGNNQ-MNOVXSKESA-N 2 0 229.368 1.008 20 0 BDADRP CO[C@H]1CC[C@@H]([NH2+][C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246513115 987863376 /nfs/dbraw/zinc/86/33/76/987863376.db2.gz GHLXCWWKQWSZAE-ZDEQEGDKSA-N 2 0 226.364 1.674 20 0 BDADRP CCC1(CC[NH2+][C@@H]2CC[NH2+][C@H](C)C2)OCCO1 ZINC001246516256 987864898 /nfs/dbraw/zinc/86/48/98/987864898.db2.gz QYFYLMBPNGEVGO-VXGBXAGGSA-N 2 0 242.363 1.260 20 0 BDADRP C[NH2+]C1CN([C@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246520851 987867945 /nfs/dbraw/zinc/86/79/45/987867945.db2.gz ANCYILYXAXECNO-ZDUSSCGKSA-N 2 0 237.391 1.345 20 0 BDADRP C[C@@H]1CC[C@H](N[C@H](C2CCC2)C2C[NH2+]C2)C[NH2+]1 ZINC001246519592 987868193 /nfs/dbraw/zinc/86/81/93/987868193.db2.gz SKEMBAKIBOVLFM-DDTOSNHZSA-N 2 0 237.391 1.105 20 0 BDADRP CCCCC[N@H+](C)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246522734 987871957 /nfs/dbraw/zinc/87/19/57/987871957.db2.gz BSYRSRFTLSRAPP-LBPRGKRZSA-N 2 0 225.380 1.202 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N2CCC[NH2+]CC2)CC[NH2+]1 ZINC001246521862 987873559 /nfs/dbraw/zinc/87/35/59/987873559.db2.gz BEAMJDWQHKCQGY-STQMWFEESA-N 2 0 225.380 1.058 20 0 BDADRP CC(C)(C)[C@@H]1C[C@@H](N2C[C@@H](F)[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246525714 987877871 /nfs/dbraw/zinc/87/78/71/987877871.db2.gz KQFJLYIMQIDVML-USZNOCQGSA-N 2 0 243.370 1.134 20 0 BDADRP C[NH2+]CCN(C)[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246525553 987879679 /nfs/dbraw/zinc/87/96/79/987879679.db2.gz YOSMYFXJKYDUCU-OLZOCXBDSA-N 2 0 225.380 1.060 20 0 BDADRP CC1(C)CC[C@@H]([N@@H+]2CCC[C@@](O)(C[NH3+])CC2)C1 ZINC001246539143 987899805 /nfs/dbraw/zinc/89/98/05/987899805.db2.gz AZSKVKPSTMARBQ-OCCSQVGLSA-N 2 0 240.391 1.741 20 0 BDADRP CC[C@H]1C[C@H](N2[C@@H](C)CC[C@H]2C[NH3+])CC[NH2+]1 ZINC001246540592 987901236 /nfs/dbraw/zinc/90/12/36/987901236.db2.gz VTHFXESKLYAIRH-RVMXOQNASA-N 2 0 225.380 1.329 20 0 BDADRP C[C@H]1CN([C@@H]2CC[NH2+]C(C)(C)C2)C[C@H]1C[NH3+] ZINC001246540857 987903919 /nfs/dbraw/zinc/90/39/19/987903919.db2.gz KGXFQCIREJAMQW-QJPTWQEYSA-N 2 0 225.380 1.044 20 0 BDADRP CC[C@@H]1C[C@@H](N2C[C@H](C)[C@H](C[NH3+])C2)CC[NH2+]1 ZINC001246540728 987904820 /nfs/dbraw/zinc/90/48/20/987904820.db2.gz KAMXNZYKHFLTAN-LOWDOPEQSA-N 2 0 225.380 1.044 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCN1[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246542432 987907437 /nfs/dbraw/zinc/90/74/37/987907437.db2.gz KPWGADQRSDHJSD-FDYHWXHSSA-N 2 0 239.407 1.575 20 0 BDADRP CCOC(=O)CC[C@@H](C)[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246543111 987908978 /nfs/dbraw/zinc/90/89/78/987908978.db2.gz TXSBQKACYGITLJ-QJPTWQEYSA-N 2 0 242.363 1.245 20 0 BDADRP CCOC(=O)CC[C@H](C)[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246543112 987910614 /nfs/dbraw/zinc/91/06/14/987910614.db2.gz TXSBQKACYGITLJ-SDDRHHMPSA-N 2 0 242.363 1.245 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCN1[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246544231 987919125 /nfs/dbraw/zinc/91/91/25/987919125.db2.gz PNYNXBCAHZMXFB-IJLUTSLNSA-N 2 0 223.364 1.083 20 0 BDADRP [NH3+][C@H]1CCCN([C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246544971 987919685 /nfs/dbraw/zinc/91/96/85/987919685.db2.gz IOQGGHWYFDEPNE-RVMXOQNASA-N 2 0 223.364 1.083 20 0 BDADRP [NH3+]C[C@]1(O)CCC[N@@H+]([C@@H]2CCCSC2)CC1 ZINC001246544378 987921940 /nfs/dbraw/zinc/92/19/40/987921940.db2.gz RGAHBCGCVQIITC-NEPJUHHUSA-N 2 0 244.404 1.058 20 0 BDADRP C[C@@H]1CC[C@H](N2CCC[C@@](F)(C[NH3+])CC2)C[NH2+]1 ZINC001246546520 987926346 /nfs/dbraw/zinc/92/63/46/987926346.db2.gz GTJBCORDUCTAED-AGIUHOORSA-N 2 0 243.370 1.280 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N1CC[C@@H]([NH3+])[C@H]1C ZINC001246546634 987927173 /nfs/dbraw/zinc/92/71/73/987927173.db2.gz BAWYGHBNSZWSLJ-JHJVBQTASA-N 2 0 227.396 1.528 20 0 BDADRP C[C@H]1CC[C@@H](C[NH3+])N1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246547499 987929498 /nfs/dbraw/zinc/92/94/98/987929498.db2.gz QAIJTPDGVXQJBV-HPCHECBXSA-N 2 0 237.391 1.471 20 0 BDADRP C[C@H](Cc1cccnc1)[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001246548197 987936263 /nfs/dbraw/zinc/93/62/63/987936263.db2.gz SPLYOHDTJUXIPH-OCCSQVGLSA-N 2 0 233.359 1.826 20 0 BDADRP CC1(C)C[C@@H](N2CCC[C@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246549849 987939294 /nfs/dbraw/zinc/93/92/94/987939294.db2.gz IMNQMUKIKQEJOT-JSGCOSHPSA-N 2 0 239.407 1.720 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCN1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001246550643 987948437 /nfs/dbraw/zinc/94/84/37/987948437.db2.gz QSNJGMJFNGQVTQ-UJPOAAIJSA-N 2 0 223.364 1.033 20 0 BDADRP C[C@@]1([NH3+])CCC[N@@H+]([C@@H]2CCCOCC2)CC1 ZINC001246553430 987961462 /nfs/dbraw/zinc/96/14/62/987961462.db2.gz RVWKXLZPNYQYLF-CHWSQXEVSA-N 2 0 226.364 1.759 20 0 BDADRP C[C@H]1C[C@@H]([N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)CCO1 ZINC001246553592 987961823 /nfs/dbraw/zinc/96/18/23/987961823.db2.gz BNEOQQJGGNXRRC-AXFHLTTASA-N 2 0 248.317 1.470 20 0 BDADRP C[C@@H]1CC[N@@H+]([C@@H]2CCCOC2)CC[C@@H]1C[NH3+] ZINC001246555436 987971218 /nfs/dbraw/zinc/97/12/18/987971218.db2.gz FDVLLTWPBMAWRS-JHJVBQTASA-N 2 0 226.364 1.472 20 0 BDADRP C[C@@H]1C[N@@H+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C[C@H]1N ZINC001246559816 987987252 /nfs/dbraw/zinc/98/72/52/987987252.db2.gz FBRJKWPLMSXIGB-SYQHCUMBSA-N 2 0 237.391 1.188 20 0 BDADRP CC(C)C[C@@H](C)C[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246560798 987993791 /nfs/dbraw/zinc/99/37/91/987993791.db2.gz TZLWQVWAMNNEHK-AAVRWANBSA-N 2 0 242.407 1.841 20 0 BDADRP C[C@H]1CCCC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246560697 987994488 /nfs/dbraw/zinc/99/44/88/987994488.db2.gz RZRRTFRAWILJKS-QWHCGFSZSA-N 2 0 237.391 1.202 20 0 BDADRP CC(C)[C@H]1C[C@@H](N2CC[C@@H](C)[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246561127 987997606 /nfs/dbraw/zinc/99/76/06/987997606.db2.gz IMXOAWOXLUTLCW-XJFOESAGSA-N 2 0 239.407 1.432 20 0 BDADRP C[C@@H]1CCN([C@H]2CCCC[NH2+]C2)CC[C@@H]1C[NH3+] ZINC001246561425 987999819 /nfs/dbraw/zinc/99/98/19/987999819.db2.gz SNOZIVBUGSSZPK-MCIONIFRSA-N 2 0 239.407 1.435 20 0 BDADRP C[C@@H]1C[C@H](N2CCC[C@H](C[NH3+])[C@@H]2C)CC[NH2+]1 ZINC001246564363 988011080 /nfs/dbraw/zinc/01/10/80/988011080.db2.gz NBMJRJWIRBNIRX-YVECIDJPSA-N 3 0 225.380 1.186 20 0 BDADRP CC[NH+]1CCC(N2C[C@@H](C)CC[C@@H]2C[NH3+])CC1 ZINC001246564204 988015327 /nfs/dbraw/zinc/01/53/27/988015327.db2.gz DGXCZDMLOAXQOV-GXTWGEPZSA-N 2 0 239.407 1.530 20 0 BDADRP C[C@@H]1C[N@@H+]([C@@H]2CCSC2)CCC[C@@H]1C[NH3+] ZINC001246563996 988017901 /nfs/dbraw/zinc/01/79/01/988017901.db2.gz DOTMTCXXTDMRRH-IJLUTSLNSA-N 2 0 228.405 1.799 20 0 BDADRP C[NH2+]C1CCC([N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)CC1 ZINC001246564409 988020271 /nfs/dbraw/zinc/02/02/71/988020271.db2.gz NQFMRBMTKZWOAR-IWMBGFJWSA-N 3 0 239.407 1.576 20 0 BDADRP CC[N@@H+]1CC[C@H](N2C[C@@H](C)CC[C@@H]2C[NH3+])C1 ZINC001246566751 988024727 /nfs/dbraw/zinc/02/47/27/988024727.db2.gz IMMKSQYGPWZRGX-XQQFMLRXSA-N 2 0 225.380 1.140 20 0 BDADRP C[C@@H]1CN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H]1[NH3+] ZINC001246566080 988029807 /nfs/dbraw/zinc/02/98/07/988029807.db2.gz DYCGIRRTSHLBBX-RKQHYHRCSA-N 2 0 237.391 1.281 20 0 BDADRP CCCC[C@@H]1C[C@H](N2C[C@@H](C)[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246569579 988047172 /nfs/dbraw/zinc/04/71/72/988047172.db2.gz WNRPMTJBVQIVCK-AAVRWANBSA-N 2 0 239.407 1.576 20 0 BDADRP C[C@@H]1CN([C@@H]2CCc3cccc(F)c3C2)C[C@H]1[NH3+] ZINC001246569599 988051066 /nfs/dbraw/zinc/05/10/66/988051066.db2.gz WRRYLQYXJJZOBI-IXPVHAAZSA-N 2 0 248.345 1.962 20 0 BDADRP C[C@@H]1C[N@@H+]([C@@H]2CCC[NH2+]CC2)CCC[C@H]1C[NH3+] ZINC001246571847 988058050 /nfs/dbraw/zinc/05/80/50/988058050.db2.gz XJUCSLJADULJPP-HZSPNIEDSA-N 3 0 239.407 1.435 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2C[C@H](F)C[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246574739 988068530 /nfs/dbraw/zinc/06/85/30/988068530.db2.gz KJNYYUJOGUQFCF-XQHKEYJVSA-N 2 0 243.370 1.134 20 0 BDADRP [NH3+][C@@H]1C[C@@H](F)CN([C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC001246576223 988085111 /nfs/dbraw/zinc/08/51/11/988085111.db2.gz FMAALFQYMBJPRC-NJMOYASZSA-N 2 0 241.354 1.031 20 0 BDADRP C[NH+](C)C1CCC(N2C[C@H]([NH3+])C[C@@H](F)C2)CC1 ZINC001246579792 988102344 /nfs/dbraw/zinc/10/23/44/988102344.db2.gz GXOWLKADULLBKX-OKZRHMCRSA-N 2 0 243.370 1.230 20 0 BDADRP CC[NH+]1CCC(N2CC[C@@H]([NH3+])[C@H](F)CC2)CC1 ZINC001246578734 988102879 /nfs/dbraw/zinc/10/28/79/988102879.db2.gz BUYVQBCQBNHQGS-CHWSQXEVSA-N 2 0 243.370 1.232 20 0 BDADRP C[C@H]1C[C@H]([NH+]2CCC(CC[NH3+])CC2)CC[NH2+]1 ZINC001246580757 988113334 /nfs/dbraw/zinc/11/33/34/988113334.db2.gz OPCZSBFMLVZYFK-WCQYABFASA-N 3 0 225.380 1.188 20 0 BDADRP C[C@]1(C[NH3+])CCCCN([C@@H]2CCC[NH2+]C2)C1 ZINC001246584517 988132693 /nfs/dbraw/zinc/13/26/93/988132693.db2.gz NHYHETMDWAXSOX-CHWSQXEVSA-N 2 0 225.380 1.189 20 0 BDADRP CCOCC[C@@H](C)[NH+]1CC(C)(C[NH3+])C1 ZINC001246587006 988146280 /nfs/dbraw/zinc/14/62/80/988146280.db2.gz DCEBDEBNOFSQNC-SNVBAGLBSA-N 2 0 200.326 1.082 20 0 BDADRP CC(C)(C)[C@@H]1C[C@@H](N2CC(C)(C[NH3+])C2)CC[NH2+]1 ZINC001246588083 988149550 /nfs/dbraw/zinc/14/95/50/988149550.db2.gz IYFJLRDKCAENFE-RYUDHWBXSA-N 2 0 239.407 1.434 20 0 BDADRP C[C@]1(C[NH3+])CCCC[N@@H+](C2CCOCC2)C1 ZINC001246588030 988156397 /nfs/dbraw/zinc/15/63/97/988156397.db2.gz XPYJAYAKGIFYCT-CYBMUJFWSA-N 2 0 226.364 1.616 20 0 BDADRP c1ccc([C@@H]2C[NH2+]CCN2[C@@H]2CCC[NH2+]C2)cc1 ZINC001246590121 988165008 /nfs/dbraw/zinc/16/50/08/988165008.db2.gz ATDFXUIBBLCAOM-CABCVRRESA-N 2 0 245.370 1.385 20 0 BDADRP [NH3+]C[C@@H]1CCCC[N@@H+]([C@H]2CCC3(C[NH2+]C3)C2)C1 ZINC001246593682 988178309 /nfs/dbraw/zinc/17/83/09/988178309.db2.gz NDVQYXUNTBPJQT-STQMWFEESA-N 3 0 237.391 1.189 20 0 BDADRP CC[C@@H]1C[C@@H](N2CC[NH2+][C@@H](C)CC2)CC[NH2+]1 ZINC001246596233 988186967 /nfs/dbraw/zinc/18/69/67/988186967.db2.gz PIXPUUBTYDQIDE-XQQFMLRXSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H]1CC[C@@H](N2CCC3(CC([NH3+])C3)CC2)C[NH2+]1 ZINC001246600781 988209086 /nfs/dbraw/zinc/20/90/86/988209086.db2.gz IFYIBCURKFGZBX-DGCLKSJQSA-N 2 0 237.391 1.330 20 0 BDADRP C[NH2+]CC[C@@H](C)N1CCC[C@]12CCC[NH2+]C2 ZINC001246605772 988215731 /nfs/dbraw/zinc/21/57/31/988215731.db2.gz CXPXUCLHLLSLGM-OLZOCXBDSA-N 2 0 225.380 1.202 20 0 BDADRP C[C@H]1C[C@@H]([N@@H+]2CCC[C@@]23CCC[NH2+]C3)CCO1 ZINC001246609696 988223075 /nfs/dbraw/zinc/22/30/75/988223075.db2.gz MSMAHNJHACJBHL-MELADBBJSA-N 2 0 238.375 1.772 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@]23CCC[NH2+]C3)CCO1 ZINC001246609694 988231446 /nfs/dbraw/zinc/23/14/46/988231446.db2.gz MSMAHNJHACJBHL-MCIONIFRSA-N 2 0 238.375 1.772 20 0 BDADRP C1CN([C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@]2(C1)CCC[NH2+]C2 ZINC001246612862 988240285 /nfs/dbraw/zinc/24/02/85/988240285.db2.gz XQPPPEOTPIVFTQ-CBBWQLFWSA-N 2 0 249.402 1.487 20 0 BDADRP C[C@@H](CC1CC1)[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246618030 988249581 /nfs/dbraw/zinc/24/95/81/988249581.db2.gz JMELYKDBHDKVCO-UBHSHLNASA-N 2 0 237.391 1.201 20 0 BDADRP CC(C)OCC[C@H](C)[NH+]1CCC(F)(C[NH3+])CC1 ZINC001246616977 988249978 /nfs/dbraw/zinc/24/99/78/988249978.db2.gz DGLLAYHAYAIGKS-LBPRGKRZSA-N 2 0 246.370 1.953 20 0 BDADRP C1CCC2(CCN([C@H]3CCC[NH2+]C3)CC2)[NH2+]C1 ZINC001246614464 988256451 /nfs/dbraw/zinc/25/64/51/988256451.db2.gz TWHLBIGIUKDMOE-ZDUSSCGKSA-N 2 0 237.391 1.347 20 0 BDADRP CCSC[C@@H](C)[NH+]1CCC(F)(C[NH3+])CC1 ZINC001246620238 988265177 /nfs/dbraw/zinc/26/51/77/988265177.db2.gz QHWUCZRQJXPEHP-SNVBAGLBSA-N 2 0 234.384 1.891 20 0 BDADRP C1CC12CNCC[N@@H+]2[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246624553 988284081 /nfs/dbraw/zinc/28/40/81/988284081.db2.gz NREISCOWPJFWLF-CYBMUJFWSA-N 2 0 249.402 1.347 20 0 BDADRP C[C@@H]1CC[C@@H](N2CC[C@]3(C2)CCCC[NH2+]3)C[NH2+]1 ZINC001246627033 988292989 /nfs/dbraw/zinc/29/29/89/988292989.db2.gz WEBIUDRRHWXHAX-MCIONIFRSA-N 2 0 237.391 1.345 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2CC[NH2+]CC23CC3)CC[NH2+]1 ZINC001246626946 988299502 /nfs/dbraw/zinc/29/95/02/988299502.db2.gz UISGASWOJMMWAQ-OLZOCXBDSA-N 2 0 237.391 1.201 20 0 BDADRP CC1(C)C[C@@H]([NH+]2CCC(F)(C[NH3+])CC2)CC[NH2+]1 ZINC001246629855 988306869 /nfs/dbraw/zinc/30/68/69/988306869.db2.gz QHEUZPWQCXEVAJ-NSHDSACASA-N 3 0 243.370 1.280 20 0 BDADRP C[C@@H]1C[C@H]([N@H+]2C[C@H]3[C@H](CC3(F)F)C2)CC[NH2+]1 ZINC001246634757 988314354 /nfs/dbraw/zinc/31/43/54/988314354.db2.gz OVRSTOCMZSOMAM-DBIOUOCHSA-N 2 0 230.302 1.714 20 0 BDADRP C[C@H]1C[C@H]([N@H+]2C[C@H]3[C@H](CC3(F)F)C2)CC[NH2+]1 ZINC001246634759 988314746 /nfs/dbraw/zinc/31/47/46/988314746.db2.gz OVRSTOCMZSOMAM-ZDCRXTMVSA-N 2 0 230.302 1.714 20 0 BDADRP C1CC12CCC([N@@H+]1CCN[C@]3(CC[NH2+]C3)C1)CC2 ZINC001246637872 988325811 /nfs/dbraw/zinc/32/58/11/988325811.db2.gz AEICSNSHEFBGKO-HNNXBMFYSA-N 2 0 249.402 1.347 20 0 BDADRP C[C@H]1CC([N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)C[C@H](C)O1 ZINC001246636789 988327537 /nfs/dbraw/zinc/32/75/37/988327537.db2.gz WXRZBILFMHUNHE-XRRVDJEJSA-N 2 0 224.348 1.379 20 0 BDADRP C1C[C@@H]2[C@@H](CC[N@@H+]2[C@@H]2CCC3(C2)CC[NH2+]CC3)[NH2+]1 ZINC001246637219 988333625 /nfs/dbraw/zinc/33/36/25/988333625.db2.gz PNAYXLPNNQXTLN-MGPQQGTHSA-N 3 0 249.402 1.345 20 0 BDADRP CC[C@H]1C[C@H](N2CCCCC23C[NH2+]C3)CC[NH2+]1 ZINC001246641011 988344250 /nfs/dbraw/zinc/34/42/50/988344250.db2.gz GCZARRUZLOZNGT-QWHCGFSZSA-N 2 0 237.391 1.345 20 0 BDADRP C1[NH2+]CC12CCCN2[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246641626 988346494 /nfs/dbraw/zinc/34/64/94/988346494.db2.gz JLUVYAVCKOSNGL-ZDUSSCGKSA-N 2 0 249.402 1.347 20 0 BDADRP C[C@H]1C[C@H](N2CCCC[C@]23CC[NH2+]C3)CC[NH2+]1 ZINC001246644033 988354650 /nfs/dbraw/zinc/35/46/50/988354650.db2.gz PCFUZZUZESBNBB-BFHYXJOUSA-N 2 0 237.391 1.345 20 0 BDADRP C1C[C@]2(C[NH2+]1)CCCCN2C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246644997 988358605 /nfs/dbraw/zinc/35/86/05/988358605.db2.gz SNEMQRUYZDPFSW-IXXDHKBRSA-N 2 0 249.402 1.487 20 0 BDADRP CCCC[C@H](C)[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246645077 988359025 /nfs/dbraw/zinc/35/90/25/988359025.db2.gz SUDBVWPDLYQOBX-STQMWFEESA-N 2 0 225.380 1.202 20 0 BDADRP C1C[C@@H]2[C@H](CC[N@@H+]2C2C[C@H]3CC[C@@H](C2)O3)[NH2+]1 ZINC001246647074 988366774 /nfs/dbraw/zinc/36/67/74/988366774.db2.gz YOVCHTREFHMLEA-NTWDBFDFSA-N 2 0 222.332 1.133 20 0 BDADRP C1CCC2(CC[NH2+]CC2)N(C2CC[NH2+]CC2)C1 ZINC001246648505 988373777 /nfs/dbraw/zinc/37/37/77/988373777.db2.gz QGSBSFAKKZEQNO-UHFFFAOYSA-N 2 0 237.391 1.347 20 0 BDADRP C1C[C@@]2(CO1)CCC[N@@H+](C1CC[NH2+]CC1)C2 ZINC001246648909 988374280 /nfs/dbraw/zinc/37/42/80/988374280.db2.gz UDJWZQYSAUOHLG-ZDUSSCGKSA-N 2 0 224.348 1.241 20 0 BDADRP CCCC[C@@H]1C[C@H]([N@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)CC[NH2+]1 ZINC001246656141 988385607 /nfs/dbraw/zinc/38/56/07/988385607.db2.gz IVDFXZKWGJUXKH-POQQGIQPSA-N 3 0 237.391 1.186 20 0 BDADRP CC1(C)C[C@@H](N2C[C@H]3CCC[NH2+][C@H]3C2)CC[NH2+]1 ZINC001246656717 988388373 /nfs/dbraw/zinc/38/83/73/988388373.db2.gz KWOJNPZKPHWKGS-AGIUHOORSA-N 2 0 237.391 1.201 20 0 BDADRP Cc1nc2c(n1[C@@H]1CC[C@H](C)[NH2+]C1)CC[NH2+]CC2 ZINC001246660583 988393794 /nfs/dbraw/zinc/39/37/94/988393794.db2.gz DPNYRIHQCZSHER-CMPLNLGQSA-N 2 0 248.374 1.193 20 0 BDADRP CN(CCC[NH3+])[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246682120 988432443 /nfs/dbraw/zinc/43/24/43/988432443.db2.gz SEBXVJGPVYSKFC-NEPJUHHUSA-N 2 0 227.396 1.434 20 0 BDADRP CC[C@@H]1C[C@@H](N(C)[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246680023 988433568 /nfs/dbraw/zinc/43/35/68/988433568.db2.gz SCRRDJVSFVFGCL-AGIUHOORSA-N 2 0 225.380 1.201 20 0 BDADRP CC(C)[C@@H]1C[N@@H+]([C@H]2CCC3(C[NH2+]C3)C2)CCN1 ZINC001246689242 988435542 /nfs/dbraw/zinc/43/55/42/988435542.db2.gz ZLTBUAJWGCRXJU-STQMWFEESA-N 2 0 237.391 1.058 20 0 BDADRP C[C@@H]1CC[C@H](N2C[C@H](C)[N@H+](C)C[C@H]2C)C[NH2+]1 ZINC001246688234 988437620 /nfs/dbraw/zinc/43/76/20/988437620.db2.gz DNRCMPARTOHLRM-XQHKEYJVSA-N 2 0 225.380 1.151 20 0 BDADRP CC(C)[C@@H]1CNCC[N@@H+]1[C@H]1CCC2(C[NH2+]C2)C1 ZINC001246695051 988441274 /nfs/dbraw/zinc/44/12/74/988441274.db2.gz LERDITXLJCBNMB-STQMWFEESA-N 2 0 237.391 1.058 20 0 BDADRP C(C1CC1)[N@@H+]1CCC2(CN([C@@H]3CCC[NH2+]C3)C2)C1 ZINC001246722537 988447315 /nfs/dbraw/zinc/44/73/15/988447315.db2.gz QWDADMSSLRAAGT-CQSZACIVSA-N 2 0 249.402 1.156 20 0 BDADRP C[C@H]1C[C@H]([N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)CC[NH2+]1 ZINC001246704420 988449336 /nfs/dbraw/zinc/44/93/36/988449336.db2.gz VKRNDHKLQPBMHG-RFQIPJPRSA-N 2 0 237.391 1.010 20 0 BDADRP CC[N@H+](C1CCN(C)CC1)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246784939 988460258 /nfs/dbraw/zinc/46/02/58/988460258.db2.gz IQRWELCOLISLPY-JSGCOSHPSA-N 2 0 239.407 1.543 20 0 BDADRP C[C@@H]1CC[C@H](N(C)CCC[NH+]2CCCC2)C[NH2+]1 ZINC001246781609 988461772 /nfs/dbraw/zinc/46/17/72/988461772.db2.gz HVLWMUPPMIPWIN-KGLIPLIRSA-N 2 0 239.407 1.545 20 0 BDADRP c1ccc(O[C@@H]2CC[N@@H+](C3CC[NH2+]CC3)C2)cc1 ZINC001246784634 988463707 /nfs/dbraw/zinc/46/37/07/988463707.db2.gz HFRCRPXMNNFREQ-OAHLLOKOSA-N 2 0 246.354 1.892 20 0 BDADRP CCN(CC[NH+](CC)CC)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246792802 988467732 /nfs/dbraw/zinc/46/77/32/988467732.db2.gz WYXFARDKTUCOQE-UONOGXRCSA-N 2 0 241.423 1.791 20 0 BDADRP [NH3+][C@H]1C[C@H](c2nc([C@H]3C[NH+]4CCC3CC4)no2)C1 ZINC001118605724 988476406 /nfs/dbraw/zinc/47/64/06/988476406.db2.gz REOIODJRTNVPFM-DCAQKATOSA-N 2 0 248.330 1.084 20 0 BDADRP CC[C@@H]1C[NH2+]CCN1[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246803122 988484422 /nfs/dbraw/zinc/48/44/22/988484422.db2.gz LTBFGHIPTALWHR-YVECIDJPSA-N 2 0 225.380 1.199 20 0 BDADRP C[NH2+]C1CCC([N@@H+]2CCNC(C)(C)C2)CC1 ZINC001246817788 988503701 /nfs/dbraw/zinc/50/37/01/988503701.db2.gz UQPAKEXYHRFLAQ-UHFFFAOYSA-N 2 0 225.380 1.201 20 0 BDADRP CC(=O)C1CC[NH+]([C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246816246 988505951 /nfs/dbraw/zinc/50/59/51/988505951.db2.gz HZRWYZSSHJAOOR-ZWNOBZJWSA-N 2 0 224.348 1.428 20 0 BDADRP C[NH2+]CC[C@@H](C)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246823549 988510843 /nfs/dbraw/zinc/51/08/43/988510843.db2.gz CSINLLKUWSIQLE-HIFRSBDPSA-N 2 0 247.386 1.631 20 0 BDADRP c1ccc([C@@H]2CN([C@@H]3CCC[NH2+]C3)CC[NH2+]2)cc1 ZINC001246827967 988516186 /nfs/dbraw/zinc/51/61/86/988516186.db2.gz PBTQHMGLNJYFCU-CABCVRRESA-N 2 0 245.370 1.385 20 0 BDADRP CCC[C@@H](C)CC[C@@H](C)N(CC[NH3+])CC[NH3+] ZINC001246828300 988517417 /nfs/dbraw/zinc/51/74/17/988517417.db2.gz BAVXNUUCCFORFB-CHWSQXEVSA-N 2 0 229.412 1.811 20 0 BDADRP C1C[NH2+][C@@H](C2CCN([C@H]3CCC[NH2+]C3)CC2)C1 ZINC001246829784 988521498 /nfs/dbraw/zinc/52/14/98/988521498.db2.gz FJUORORCYILKQR-UONOGXRCSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@@H]1C[C@H](N2CC[NH2+][C@H](c3ccccc3)C2)C[NH2+]1 ZINC001246828944 988522057 /nfs/dbraw/zinc/52/20/57/988522057.db2.gz TXGSZYRBVREYNM-SNPRPXQTSA-N 2 0 245.370 1.383 20 0 BDADRP CCCC[C@@H]1C[C@@H](N(C)C2C[NH2+]C2)CC[NH2+]1 ZINC001246831269 988529039 /nfs/dbraw/zinc/52/90/39/988529039.db2.gz BXGTVIPSWZNCEH-NEPJUHHUSA-N 2 0 225.380 1.201 20 0 BDADRP CCC[C@H](Cc1ccccc1)N(CC[NH3+])CC[NH3+] ZINC001246835219 988534126 /nfs/dbraw/zinc/53/41/26/988534126.db2.gz WGQVFPWNOKKBLB-OAHLLOKOSA-N 2 0 249.402 1.617 20 0 BDADRP C[N@@H+]1C[C@H]2CCCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@@H]2C1 ZINC001246834963 988534280 /nfs/dbraw/zinc/53/42/80/988534280.db2.gz RMBBFHRXIIPQMN-MQAAVTGUSA-N 2 0 249.402 1.295 20 0 BDADRP C[N@H+](C[C@@H]1CC1(C)C)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246843057 988545416 /nfs/dbraw/zinc/54/54/16/988545416.db2.gz AWBDMPZPCZNEDL-NWDGAFQWSA-N 2 0 237.391 1.058 20 0 BDADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(=O)[nH]n1 ZINC001323559882 988557651 /nfs/dbraw/zinc/55/76/51/988557651.db2.gz BXGMCSCDPAPGNZ-JTQLQIEISA-N 2 0 238.335 1.175 20 0 BDADRP CC1(C)CC[C@H]([N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)C1 ZINC001246849676 988566451 /nfs/dbraw/zinc/56/64/51/988566451.db2.gz AMKGETCEQBQFPP-NTZNESFSSA-N 2 0 208.349 1.988 20 0 BDADRP CC[N@H+](CCn1cccn1)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246851629 988567967 /nfs/dbraw/zinc/56/79/67/988567967.db2.gz ZANUUYPUBOAORX-QWHCGFSZSA-N 2 0 236.363 1.346 20 0 BDADRP CCN([C@@H]1CCC[NH2+]C1)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246852820 988571242 /nfs/dbraw/zinc/57/12/42/988571242.db2.gz GVIQYRRUFPGQFA-UPJWGTAASA-N 2 0 225.380 1.201 20 0 BDADRP CSCC[C@H](C)[N@@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001246851388 988572988 /nfs/dbraw/zinc/57/29/88/988572988.db2.gz FQNISXQEQLKEJB-DCAQKATOSA-N 2 0 214.378 1.551 20 0 BDADRP CCCC[C@@H](C)[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246862605 988603195 /nfs/dbraw/zinc/60/31/95/988603195.db2.gz UTMUHLJBZLCCLB-FKJOKYEKSA-N 2 0 226.364 1.471 20 0 BDADRP C1CC2(C1)C[C@H](N1C[C@H]3CC[C@@H](C1)[NH2+]C3)CC[NH2+]2 ZINC001246866374 988620786 /nfs/dbraw/zinc/62/07/86/988620786.db2.gz JSMCIYLGFLMBEY-MELADBBJSA-N 2 0 249.402 1.345 20 0 BDADRP [NH3+][C@]12C[C@H]1CN([C@@H]1CCC[N@@H+](C3CCCC3)C1)C2 ZINC001246867891 988629877 /nfs/dbraw/zinc/62/98/77/988629877.db2.gz IPRVTRSEILOHHP-CFVMTHIKSA-N 2 0 249.402 1.426 20 0 BDADRP C[C@H]1C[C@H]([NH+]2CC3(C2)CC[NH+](C)CC3)CC[NH2+]1 ZINC001246871861 988633263 /nfs/dbraw/zinc/63/32/63/988633263.db2.gz NYKBDOUHIUFJAO-QWHCGFSZSA-N 3 0 237.391 1.155 20 0 BDADRP COC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCC[NH2+]C1 ZINC001246872494 988635853 /nfs/dbraw/zinc/63/58/53/988635853.db2.gz APMKVLFTEYZCGU-DAAZQVBGSA-N 2 0 224.348 1.380 20 0 BDADRP CC[C@H]1C[C@@H](N2CCC[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC001246875595 988644521 /nfs/dbraw/zinc/64/45/21/988644521.db2.gz HUYMURCOGHHVSO-AVGNSLFASA-N 2 0 225.380 1.201 20 0 BDADRP CCN(CC[NH2+]C)C1CCC2(CC[NH2+]C2)CC1 ZINC001246890733 988659427 /nfs/dbraw/zinc/65/94/27/988659427.db2.gz LADSPHMQFYIKSU-UHFFFAOYSA-N 2 0 239.407 1.450 20 0 BDADRP CN(C[C@@H]1CCC[NH2+]1)[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246889374 988661486 /nfs/dbraw/zinc/66/14/86/988661486.db2.gz PBVULEMEJPMJDD-QWHCGFSZSA-N 2 0 237.391 1.345 20 0 BDADRP CC[NH2+][C@@H](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001503463329 988663677 /nfs/dbraw/zinc/66/36/77/988663677.db2.gz CCRTUDUPYSBZGK-NWDGAFQWSA-N 2 0 243.395 1.077 20 0 BDADRP CCN(CC[NH2+]C)C1CCC([NH2+]C)CC1 ZINC001246893887 988664629 /nfs/dbraw/zinc/66/46/29/988664629.db2.gz XJXUOWBESREKSS-UHFFFAOYSA-N 2 0 213.369 1.058 20 0 BDADRP CCCN([C@H](C)CC[NH2+]C)C1CC[NH2+]CC1 ZINC001246894584 988666636 /nfs/dbraw/zinc/66/66/36/988666636.db2.gz OAYROSZRMGLVGK-GFCCVEGCSA-N 2 0 227.396 1.448 20 0 BDADRP CCC1([NH3+])CN([C@H]2CC[NH2+][C@@H](C(C)C)C2)C1 ZINC001246895491 988669690 /nfs/dbraw/zinc/66/96/90/988669690.db2.gz UEVSLRJSCUVFOJ-NWDGAFQWSA-N 2 0 225.380 1.186 20 0 BDADRP CCCC[C@H]1CN([C@H]2C[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC001246896992 988670159 /nfs/dbraw/zinc/67/01/59/988670159.db2.gz BYDXZZFHYABUFO-RWMBFGLXSA-N 2 0 225.380 1.201 20 0 BDADRP CCC1([NH3+])CN([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246896700 988671242 /nfs/dbraw/zinc/67/12/42/988671242.db2.gz ZHZUNELCTJOATB-CHWSQXEVSA-N 2 0 237.391 1.332 20 0 BDADRP CCCN(C1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001246895721 988671908 /nfs/dbraw/zinc/67/19/08/988671908.db2.gz DXPYQMPXLCYOAZ-UHFFFAOYSA-N 2 0 225.380 1.202 20 0 BDADRP CCCC[C@H]1CN([C@@H]2CC[C@H](C)[NH2+]C2)CC[NH2+]1 ZINC001246902454 988674600 /nfs/dbraw/zinc/67/46/00/988674600.db2.gz LNAOPDRPKCMNSQ-MELADBBJSA-N 2 0 239.407 1.591 20 0 BDADRP CC[C@@H]1C[C@H](N2CC[C@@H]2[NH2+]C)C[C@H](CC)[NH2+]1 ZINC001246899907 988675258 /nfs/dbraw/zinc/67/52/58/988675258.db2.gz QWZCISLUGVPGHQ-MROQNXINSA-N 2 0 225.380 1.547 20 0 BDADRP CN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@]1(C)CCC[NH2+]C1 ZINC001246906582 988682774 /nfs/dbraw/zinc/68/27/74/988682774.db2.gz CNHMKQQDXZPIQU-PIGZVRMJSA-N 2 0 237.391 1.343 20 0 BDADRP CCOC(=O)[C@H]1CC[C@@H](N2CCC[C@@H]2C[NH3+])C1 ZINC001246912796 988687623 /nfs/dbraw/zinc/68/76/23/988687623.db2.gz HRYGGMRSYOBEQD-QJPTWQEYSA-N 2 0 240.347 1.141 20 0 BDADRP C[C@@H]1CC[C@H](N(C)[C@@]2(C)CCC[NH2+]C2)C[NH2+]1 ZINC001246907342 988688846 /nfs/dbraw/zinc/68/88/46/988688846.db2.gz FKCZMCCPNBGTKB-AGIUHOORSA-N 2 0 225.380 1.201 20 0 BDADRP CCC[C@@H]1C[NH2+]CCN1[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246911105 988693694 /nfs/dbraw/zinc/69/36/94/988693694.db2.gz ASAFSXWFJZFPIB-JHJVBQTASA-N 2 0 225.380 1.201 20 0 BDADRP C[N@H+](CCO)[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246913095 988695532 /nfs/dbraw/zinc/69/55/32/988695532.db2.gz NBROYGWWGMRDPL-LBPRGKRZSA-N 2 0 226.364 1.365 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N1CCC[C@@H]1C[NH3+] ZINC001246913046 988697485 /nfs/dbraw/zinc/69/74/85/988697485.db2.gz JMNSOPVFSWXDJP-QWHCGFSZSA-N 2 0 227.396 1.530 20 0 BDADRP C[C@@H]1C[C@@H](N(C)[C@]2(C)CCC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC001246913716 988698408 /nfs/dbraw/zinc/69/84/08/988698408.db2.gz RTAODBYVFLNEBO-XJFOESAGSA-N 2 0 239.407 1.589 20 0 BDADRP C[C@@H]1C[C@H]([N@H+](C)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246914131 988704299 /nfs/dbraw/zinc/70/42/99/988704299.db2.gz ZGIIDMFQWOQJOS-FDYHWXHSSA-N 3 0 225.380 1.329 20 0 BDADRP CCC[C@@H]1C[NH2+]CCN1[C@H]1CCCC[NH2+]C1 ZINC001246916927 988716473 /nfs/dbraw/zinc/71/64/73/988716473.db2.gz FACUWKGOPDDKTK-OLZOCXBDSA-N 2 0 225.380 1.202 20 0 BDADRP C1CC1[NH2+][C@H]1CCCN([C@@H]2CCCC[NH2+]C2)C1 ZINC001246918510 988718474 /nfs/dbraw/zinc/71/84/74/988718474.db2.gz KXAIJSMMPRVNAD-UONOGXRCSA-N 2 0 237.391 1.345 20 0 BDADRP CC1(C)CCC[C@H]([N@@H+]2C[C@H]3C[NH2+]C[C@H]32)C1 ZINC001246919065 988726954 /nfs/dbraw/zinc/72/69/54/988726954.db2.gz MGQFVAJSHUKJJQ-GRYCIOLGSA-N 2 0 208.349 1.859 20 0 BDADRP CCCC[C@@H]1C[C@H](N2C[C@@H]3[NH2+]C[C@H]3C2)CC[NH2+]1 ZINC001246923860 988735292 /nfs/dbraw/zinc/73/52/92/988735292.db2.gz ZVFCFIJHPATOBI-DGAVXFQQSA-N 2 0 237.391 1.201 20 0 BDADRP CC(C)(C)[C@@H]1C[C@H](N2C[C@@H]3C[NH2+]C[C@H]32)CC[NH2+]1 ZINC001246923740 988738286 /nfs/dbraw/zinc/73/82/86/988738286.db2.gz ZEOYXBKFPNCBGE-LOWDOPEQSA-N 2 0 237.391 1.057 20 0 BDADRP C1[C@@H]2CC[NH2+]CC[C@@H]2C[N@H+]1[C@@H]1CCCC[NH2+]C1 ZINC001246928738 988744713 /nfs/dbraw/zinc/74/47/13/988744713.db2.gz BWFVBENMKAVRLQ-HZSPNIEDSA-N 3 0 237.391 1.060 20 0 BDADRP C1[C@@H]2CC[NH2+]CC[C@@H]2C[N@H+]1C1CCSCC1 ZINC001246934207 988764801 /nfs/dbraw/zinc/76/48/01/988764801.db2.gz SQKDSVLGGSACDC-TXEJJXNPSA-N 2 0 240.416 1.813 20 0 BDADRP C[NH2+]C[C@H]1CCCN1[C@@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246938474 988766118 /nfs/dbraw/zinc/76/61/18/988766118.db2.gz MUKUEUFJKQUNPI-MCIONIFRSA-N 2 0 239.407 1.447 20 0 BDADRP CCC[N@H+]1C[C@H]2CN([C@@H]3CCC[NH2+]C3)C[C@H]2C1 ZINC001246942896 988772253 /nfs/dbraw/zinc/77/22/53/988772253.db2.gz RKPLTDMAGSMWBU-HZSPNIEDSA-N 2 0 237.391 1.012 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N2C[C@H](C)[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC001246941743 988775740 /nfs/dbraw/zinc/77/57/40/988775740.db2.gz BRWMRJLLAHPAQN-XUXIUFHCSA-N 2 0 239.407 1.445 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2C[C@H](C)[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC001246941737 988777040 /nfs/dbraw/zinc/77/70/40/988777040.db2.gz BRWMRJLLAHPAQN-FQUUOJAGSA-N 2 0 239.407 1.445 20 0 BDADRP C1C[C@@]2(C[NH2+]1)CCC[C@H]([N@@H+]1C[C@@H]3CC[C@H]1CN3)C2 ZINC001246946084 988778912 /nfs/dbraw/zinc/77/89/12/988778912.db2.gz ZUEFBUOHPZSCMD-AJNGGQMLSA-N 2 0 249.402 1.345 20 0 BDADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCOC2(C)C)C1 ZINC001324288726 988783000 /nfs/dbraw/zinc/78/30/00/988783000.db2.gz ORDDQCVOUBFNQE-QWHCGFSZSA-N 2 0 240.391 1.875 20 0 BDADRP CC[N@H+](C)C1CCN([C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246948887 988786476 /nfs/dbraw/zinc/78/64/76/988786476.db2.gz GKUNXDPYYHARLD-OCCSQVGLSA-N 2 0 239.407 1.543 20 0 BDADRP CC(C)N([C@@H]1CCC[NH2+]C1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246956136 988788278 /nfs/dbraw/zinc/78/82/78/988788278.db2.gz WLDXVPLPAGYURQ-HZSPNIEDSA-N 2 0 239.407 1.589 20 0 BDADRP CC[N@H+](C)C1CCN(C2CC[NH2+]CC2)CC1 ZINC001246951146 988788890 /nfs/dbraw/zinc/78/88/90/988788890.db2.gz RWJRHFZTSRHOKJ-UHFFFAOYSA-N 2 0 225.380 1.155 20 0 BDADRP CC(C)N([C@H]1CC[NH2+]C1)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246971912 988801373 /nfs/dbraw/zinc/80/13/73/988801373.db2.gz IUHFRJMJIVMMIZ-AVGNSLFASA-N 2 0 225.380 1.199 20 0 BDADRP CC(C)N(C1CC[NH+](C)CC1)[C@H]1CCC[NH2+]C1 ZINC001246970944 988801518 /nfs/dbraw/zinc/80/15/18/988801518.db2.gz DCBQRYNUWXQAAV-AWEZNQCLSA-N 2 0 239.407 1.543 20 0 BDADRP CC[C@H](N)C[N@H+](C)C1CCC2(CC[NH2+]C2)CC1 ZINC001246973477 988803089 /nfs/dbraw/zinc/80/30/89/988803089.db2.gz JNHCUQGWQDRUBS-HSBZDZAISA-N 2 0 239.407 1.578 20 0 BDADRP CCCC[C@@H]1C[C@H](N(C)C[C@@H]([NH3+])CC)CC[NH2+]1 ZINC001246982554 988815424 /nfs/dbraw/zinc/81/54/24/988815424.db2.gz YLMROFCZIGTAMY-BFHYXJOUSA-N 2 0 241.423 1.966 20 0 BDADRP CC(C)(C)[C@H]1C[C@H](N2CC[NH2+]C2)CC[NH2+]1 ZINC001246989839 988820010 /nfs/dbraw/zinc/82/00/10/988820010.db2.gz IPJFTULWRYYVIC-GHMZBOCLSA-N 2 0 211.353 1.016 20 0 BDADRP C[NH2+]C1CCC([N@@H+]2CCNC3=CCCC[C@@H]32)CC1 ZINC001246993864 988828503 /nfs/dbraw/zinc/82/85/03/988828503.db2.gz IVIHMAYPWSZHFC-PIMMBPRGSA-N 2 0 249.402 1.859 20 0 BDADRP CC[C@@H]1C[C@@H](N2CC[NH2+]C3=CCCC[C@@H]32)CC[NH2+]1 ZINC001246995809 988828746 /nfs/dbraw/zinc/82/87/46/988828746.db2.gz MXPLEOSUALTOKL-IPYPFGDCSA-N 2 0 249.402 1.859 20 0 BDADRP C[C@@]1(C[NH3+])CCCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001247001789 988831182 /nfs/dbraw/zinc/83/11/82/988831182.db2.gz LHRIVIRAXHDJSG-PIGZVRMJSA-N 2 0 237.391 1.330 20 0 BDADRP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)C1CC[NH2+]CC1 ZINC001119090958 988832674 /nfs/dbraw/zinc/83/26/74/988832674.db2.gz SCLDBUKJGNJZNY-DCBWTQNWSA-N 3 0 239.407 1.482 20 0 BDADRP CC1CC([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001119090785 988833360 /nfs/dbraw/zinc/83/33/60/988833360.db2.gz MYHLLPJCEDKWEO-UOARYYOJSA-N 2 0 208.349 1.905 20 0 BDADRP C1C[NH2+][C@@H]2CCN([C@@H]3CCC[NH2+]CC3)C[C@H]2C1 ZINC001247015894 988844494 /nfs/dbraw/zinc/84/44/94/988844494.db2.gz QZICMZHWNMWIHI-MGPQQGTHSA-N 2 0 237.391 1.202 20 0 BDADRP CCC1([NH3+])CCN(C(=O)CCCCC[NH3+])CC1 ZINC001119315226 988934721 /nfs/dbraw/zinc/93/47/21/988934721.db2.gz GCHHXVFPKYDOBA-UHFFFAOYSA-N 2 0 241.379 1.235 20 0 BDADRP c1cc(N2CC[C@@H]([NH+]3CCCC3)C2)cc[nH+]1 ZINC001515180550 988999013 /nfs/dbraw/zinc/99/90/13/988999013.db2.gz FBFSYNYASCNKNX-CYBMUJFWSA-N 2 0 217.316 1.756 20 0 BDADRP C[NH2+][C@H](C)CCNC1CC[NH+](C(C)C)CC1 ZINC001325719243 989238607 /nfs/dbraw/zinc/23/86/07/989238607.db2.gz WKZFKCDQQCCBSM-GFCCVEGCSA-N 2 0 227.396 1.447 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C/C=C\C1CC1 ZINC001325743602 989245300 /nfs/dbraw/zinc/24/53/00/989245300.db2.gz PPSRGMKMRKJLLN-XFKWNRGUSA-N 2 0 208.349 1.930 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C/C=C\C1CC1 ZINC001325743599 989246718 /nfs/dbraw/zinc/24/67/18/989246718.db2.gz PPSRGMKMRKJLLN-FIFDWTMUSA-N 2 0 208.349 1.930 20 0 BDADRP C[NH2+]C[C@H](C)CN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC001119631310 989265511 /nfs/dbraw/zinc/26/55/11/989265511.db2.gz RSIXNTOAMKBOGZ-TUAOUCFPSA-N 2 0 227.396 1.338 20 0 BDADRP C[NH2+]C[C@H](C)CN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC001119631308 989266834 /nfs/dbraw/zinc/26/68/34/989266834.db2.gz RSIXNTOAMKBOGZ-SDDRHHMPSA-N 2 0 227.396 1.338 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCC(F)F ZINC001119640319 989278527 /nfs/dbraw/zinc/27/85/27/989278527.db2.gz OUHMIHHDOCKKMY-DHHPTOIESA-N 2 0 232.318 1.962 20 0 BDADRP [NH3+]Cc1ccccc1CNC(=O)C1([NH3+])CCCC1 ZINC001326275691 989459387 /nfs/dbraw/zinc/45/93/87/989459387.db2.gz MGMAFGIFBWFGOC-UHFFFAOYSA-N 2 0 247.342 1.033 20 0 BDADRP C[NH2+][C@H](C)CCN[C@H]1CCCC[C@@H]1C[NH3+] ZINC001326472612 989563470 /nfs/dbraw/zinc/56/34/70/989563470.db2.gz DJAKZHYSHOUCOD-UTUOFQBUSA-N 2 0 213.369 1.092 20 0 BDADRP C[NH2+][C@@H](C)CCN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC001326473422 989571443 /nfs/dbraw/zinc/57/14/43/989571443.db2.gz JTQAFEYKFFTJQG-QJPTWQEYSA-N 2 0 213.369 1.105 20 0 BDADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3cnc[nH]3)C[C@@H]2C1 ZINC001120072144 989589339 /nfs/dbraw/zinc/58/93/39/989589339.db2.gz RSUBSCMTIFAMAF-MBNYWOFBSA-N 2 0 248.374 1.572 20 0 BDADRP C[C@@H]([NH2+]CCN1CCC(C)(C)C1)[C@H](C)O ZINC001120278193 989627455 /nfs/dbraw/zinc/62/74/55/989627455.db2.gz UFUKOFWOOXARNE-MNOVXSKESA-N 2 0 214.353 1.077 20 0 BDADRP CC[C@@H](O)C[NH2+]CCC[N@H+](C)CC(C)C ZINC001120503595 989686720 /nfs/dbraw/zinc/68/67/20/989686720.db2.gz URCZBYGNCJEFPK-GFCCVEGCSA-N 2 0 216.369 1.325 20 0 BDADRP CC(C)C[C@@](C)(C[NH3+])C(=O)NCCC[NH+](C)C ZINC001521408103 989702827 /nfs/dbraw/zinc/70/28/27/989702827.db2.gz HDVUCTZNRGTXGF-ZDUSSCGKSA-N 2 0 243.395 1.065 20 0 BDADRP CC(C)C[C@@H]([NH3+])CC(=O)N[C@H]1CCC[NH2+]CC1 ZINC001521527517 989735401 /nfs/dbraw/zinc/73/54/01/989735401.db2.gz MUZDYMASYCUIKT-NEPJUHHUSA-N 2 0 241.379 1.008 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccccc1C[NH3+] ZINC001522185073 989835186 /nfs/dbraw/zinc/83/51/86/989835186.db2.gz VUAIFETXIJVCIR-QWHCGFSZSA-N 2 0 247.342 1.016 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)C23CC(C2)C[NH2+]3)cc1 ZINC001121945465 990150946 /nfs/dbraw/zinc/15/09/46/990150946.db2.gz XJKXKWAZAYJNNM-UHFFFAOYSA-N 2 0 245.326 1.097 20 0 BDADRP CC(C)(C)[C@H]([NH3+])CC(=O)N[C@H]1CCC[NH2+]CC1 ZINC001122014207 990182020 /nfs/dbraw/zinc/18/20/20/990182020.db2.gz AGLSTGAFASHVSZ-WDEREUQCSA-N 2 0 241.379 1.008 20 0 BDADRP CC(C)(C)[C@H]([NH3+])CC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC001122014202 990183024 /nfs/dbraw/zinc/18/30/24/990183024.db2.gz AGLSTGAFASHVSZ-GHMZBOCLSA-N 2 0 241.379 1.008 20 0 BDADRP CC(C)(C)[C@@H]([NH3+])CC(=O)NCCCCCC[NH3+] ZINC001122085727 990231185 /nfs/dbraw/zinc/23/11/85/990231185.db2.gz JLZCVBGTCFJOIM-NSHDSACASA-N 2 0 243.395 1.385 20 0 BDADRP C[C@H](C[NH3+])C(=O)N1C[C@@H](CC[NH3+])c2ccccc21 ZINC001122110707 990244370 /nfs/dbraw/zinc/24/43/70/990244370.db2.gz WSHRKPCVKDVMAW-GHMZBOCLSA-N 2 0 247.342 1.060 20 0 BDADRP CC[C@@H](C)C[C@@H]([NH3+])C(=O)NCC1([NH3+])CCCC1 ZINC001122143800 990260616 /nfs/dbraw/zinc/26/06/16/990260616.db2.gz QGKVCZWWFTXOPV-GHMZBOCLSA-N 2 0 241.379 1.138 20 0 BDADRP CC(C)(C)[C@@H]([NH3+])CC(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC001122197173 990285992 /nfs/dbraw/zinc/28/59/92/990285992.db2.gz XPLAKMLQPVQFGP-DCAQKATOSA-N 2 0 241.379 1.136 20 0 BDADRP [NH3+]C1(C(=O)Nc2cccc3c2C[NH2+]C3)CCC1 ZINC001122222141 990294887 /nfs/dbraw/zinc/29/48/87/990294887.db2.gz OJPVQFTXJAKKQK-UHFFFAOYSA-N 2 0 231.299 1.110 20 0 BDADRP C[C@H](CC[NH+](C)C)C(=O)NCC[C@@H](C)[NH+](C)C ZINC001557441277 990890761 /nfs/dbraw/zinc/89/07/61/990890761.db2.gz JUXLYRTTXVRNPE-VXGBXAGGSA-N 2 0 243.395 1.031 20 0 BDADRP C[NH+](C)CCOc1ccc(C[NH+]2CCC2)cc1 ZINC001138770243 991033258 /nfs/dbraw/zinc/03/32/58/991033258.db2.gz UZAUWTHYQVZZFH-UHFFFAOYSA-N 2 0 234.343 1.833 20 0 BDADRP Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)cn1 ZINC001308554358 991036228 /nfs/dbraw/zinc/03/62/28/991036228.db2.gz OTSQOAFHOQKMIY-QLFBSQMISA-N 2 0 245.370 1.820 20 0 BDADRP C[C@H](Cc1ccco1)[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC001258186054 991086086 /nfs/dbraw/zinc/08/60/86/991086086.db2.gz VJLGIZFUSRSZIV-ADEWGFFLSA-N 2 0 208.305 1.680 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H]2CC[C@@H](OC)C2)CC1 ZINC001308691435 991097072 /nfs/dbraw/zinc/09/70/72/991097072.db2.gz TVTKSACPOJFOCN-UONOGXRCSA-N 2 0 240.391 1.875 20 0 BDADRP COC(=O)CC[C@H](C)[NH2+][C@@H]1CCN(C(C)C)C1 ZINC001258351863 991286587 /nfs/dbraw/zinc/28/65/87/991286587.db2.gz YMPQXYIFNCASJD-NWDGAFQWSA-N 2 0 242.363 1.400 20 0 BDADRP CO[C@H]1CC[C@@H]([N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C1 ZINC001560055494 991367851 /nfs/dbraw/zinc/36/78/51/991367851.db2.gz BVHLQKKKNZAMSU-RQJABVFESA-N 2 0 238.375 1.437 20 0 BDADRP C[C@@H](CC1CC1)NC(=[NH2+])SCC[NH3+] ZINC001258450585 991399778 /nfs/dbraw/zinc/39/97/78/991399778.db2.gz RWSCZAHIQHLEAE-ZETCQYMHSA-N 2 0 201.339 1.391 20 0 BDADRP CCCC1CCC([N@H+](CCN)CCO)CC1 ZINC001258527498 991474455 /nfs/dbraw/zinc/47/44/55/991474455.db2.gz BMPHEJXQDHHWFH-UHFFFAOYSA-N 2 0 228.380 1.598 20 0 BDADRP C[C@H](Cc1cccnc1)[NH2+]CCCC[NH+](C)C ZINC001258609871 991532355 /nfs/dbraw/zinc/53/23/55/991532355.db2.gz WMNYHEGTVGGILW-CYBMUJFWSA-N 2 0 235.375 1.944 20 0 BDADRP C[C@@H](Cc1cccnc1)[NH2+]C[C@@H]1CC[N@H+](C)C1 ZINC001258610518 991532768 /nfs/dbraw/zinc/53/27/68/991532768.db2.gz OZQNXABLQBMXBY-JSGCOSHPSA-N 2 0 233.359 1.554 20 0 BDADRP C[C@@H](Cc1cccnc1)[NH2+]C1(C[NH3+])CC1 ZINC001258620871 991548618 /nfs/dbraw/zinc/54/86/18/991548618.db2.gz SVBWCQNVCRAJNW-JTQLQIEISA-N 2 0 205.305 1.094 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[NH3+])CC(C)(C)C1 ZINC001258685547 991618842 /nfs/dbraw/zinc/61/88/42/991618842.db2.gz OTHWLLIXVBAKTE-GMTAPVOTSA-N 2 0 214.353 1.110 20 0 BDADRP CC[C@H]([NH2+]CC1CC[NH+](CC)CC1)C(C)(C)O ZINC001560859956 991629482 /nfs/dbraw/zinc/62/94/82/991629482.db2.gz XDNVJQDLLWRVAB-ZDUSSCGKSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@]1(F)CC[N@H+](CCCC[NH3+])C[C@H]1F ZINC001206743546 991634452 /nfs/dbraw/zinc/63/44/52/991634452.db2.gz ACFHSVQOGBANOW-ZJUUUORDSA-N 2 0 206.280 1.497 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H](CO)[C@@H](C)CC)CC1 ZINC001258767936 991732094 /nfs/dbraw/zinc/73/20/94/991732094.db2.gz RAMZPWZTXPTGCC-GXTWGEPZSA-N 2 0 242.407 1.857 20 0 BDADRP CCC[NH+]1CCC([N@@H+]2CC[C@@H](O)[C@@H](C)C2)CC1 ZINC001258772550 991736099 /nfs/dbraw/zinc/73/60/99/991736099.db2.gz SPQACOFPGACSSK-GXTWGEPZSA-N 2 0 240.391 1.564 20 0 BDADRP CCC[NH+]1CCC(N2CC(C)([NH+](C)C)C2)CC1 ZINC001258775324 991738763 /nfs/dbraw/zinc/73/87/63/991738763.db2.gz KLOUEWVPPUWQGF-UHFFFAOYSA-N 2 0 239.407 1.497 20 0 BDADRP CCC[NH+]1CCC([N@@H+]2CCC[C@](C)(O)C2)CC1 ZINC001258775140 991741877 /nfs/dbraw/zinc/74/18/77/991741877.db2.gz BKPQTSGRRYLFEH-AWEZNQCLSA-N 2 0 240.391 1.708 20 0 BDADRP CC(C)CC(CC(C)C)[NH2+]C[C@H](O)C[NH3+] ZINC001258831967 991862444 /nfs/dbraw/zinc/86/24/44/991862444.db2.gz YKHBZQNTXOIOIV-GFCCVEGCSA-N 2 0 216.369 1.356 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]CC1COC1 ZINC001258897707 991890271 /nfs/dbraw/zinc/89/02/71/991890271.db2.gz NTTXJOOTUBISAX-GFCCVEGCSA-N 2 0 228.380 1.733 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+]CC1(F)COC1 ZINC001258899799 991892100 /nfs/dbraw/zinc/89/21/00/991892100.db2.gz RJDHXUCDRNXSNS-LBPRGKRZSA-N 2 0 246.370 1.825 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C(C)(C)C(N)=O ZINC001258901375 991895956 /nfs/dbraw/zinc/89/59/56/991895956.db2.gz YYSHVTOUOSFCPD-NSHDSACASA-N 2 0 243.395 1.350 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1C[C@H](O)C1 ZINC001258900081 991896035 /nfs/dbraw/zinc/89/60/35/991896035.db2.gz ZTNQFPGUKVJUEV-AVGNSLFASA-N 2 0 228.380 1.610 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1[C@@H]2COC[C@@H]21 ZINC001258900244 991896488 /nfs/dbraw/zinc/89/64/88/991896488.db2.gz GOGBJXSXNQEFMS-IGQOVBAYSA-N 2 0 240.391 1.731 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1C[C@H]1N ZINC001258902767 991896780 /nfs/dbraw/zinc/89/67/80/991896780.db2.gz ZQZPCOBJGCIMAN-IJLUTSLNSA-N 2 0 213.369 1.186 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001258907872 991897998 /nfs/dbraw/zinc/89/79/98/991897998.db2.gz NOZOZAINSPADEO-FRRDWIJNSA-N 2 0 246.370 1.512 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CC2(COC2)C1 ZINC001258907953 991898569 /nfs/dbraw/zinc/89/85/69/991898569.db2.gz PBAXZXFWHOLBQW-CYBMUJFWSA-N 2 0 240.391 1.829 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC001258909366 991900461 /nfs/dbraw/zinc/90/04/61/991900461.db2.gz DIJXSAWTJPOAJJ-IHRRRGAJSA-N 2 0 242.407 1.810 20 0 BDADRP C[C@@H](C[NH3+])C(=O)Nc1ccc(-n2ccnc2)cc1 ZINC000357191901 991974776 /nfs/dbraw/zinc/97/47/76/991974776.db2.gz SDIBDNQTLHUTOD-JTQLQIEISA-N 2 0 244.298 1.406 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)CO1 ZINC001474757322 992530881 /nfs/dbraw/zinc/53/08/81/992530881.db2.gz UVJYTIDRWGXOPP-NAWOPXAZSA-N 2 0 224.348 1.094 20 0 BDADRP CC(C)C[NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001571403578 992550037 /nfs/dbraw/zinc/55/00/37/992550037.db2.gz UZSIDFVSDDCWKC-LBPRGKRZSA-N 2 0 243.395 1.031 20 0 BDADRP CC(C)[NH2+][C@@H](C)CN(C)C(=O)CCC[NH+](C)C ZINC001571401698 992550046 /nfs/dbraw/zinc/55/00/46/992550046.db2.gz JCYAKWGTMUEVDM-LBPRGKRZSA-N 2 0 243.395 1.173 20 0 BDADRP COC1(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)CCC1 ZINC001262012189 992599326 /nfs/dbraw/zinc/59/93/26/992599326.db2.gz NYELIDKHUZHIKJ-OLZOCXBDSA-N 2 0 238.375 1.582 20 0 BDADRP C[NH+](C)Cc1ccc(N[C@H]2CC[NH2+]C2)c(F)c1 ZINC001573863748 992740917 /nfs/dbraw/zinc/74/09/17/992740917.db2.gz KRKSHNOTXODYMX-NSHDSACASA-N 2 0 237.322 1.661 20 0 BDADRP CO[C@](C)(C[NH2+]C1CC[NH2+]CC1)c1ccccc1 ZINC001573947702 992775521 /nfs/dbraw/zinc/77/55/21/992775521.db2.gz AZSOHGRTGYXSSD-OAHLLOKOSA-N 2 0 248.370 1.890 20 0 BDADRP C(CC1CC[NH2+]CC1)[NH2+][C@H]1C[C@@H]2COC[C@@H]21 ZINC001574775451 992896966 /nfs/dbraw/zinc/89/69/66/992896966.db2.gz ZQEAAGOWWPQFLN-AGIUHOORSA-N 2 0 224.348 1.001 20 0 BDADRP C(COCC1CCC1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001574774345 992901381 /nfs/dbraw/zinc/90/13/81/992901381.db2.gz KZNIPTHNMNCPDE-CYBMUJFWSA-N 2 0 226.364 1.392 20 0 BDADRP C([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CCC2(C[NH2+]C2)O1 ZINC001574794930 992905615 /nfs/dbraw/zinc/90/56/15/992905615.db2.gz IHDVCIVBFFNNMC-VOAKCMCISA-N 2 0 236.359 1.286 20 0 BDADRP C([NH2+][C@@H]1CC[NH2+]C12CCC2)C1CSC1 ZINC001574796537 992909332 /nfs/dbraw/zinc/90/93/32/992909332.db2.gz XVXBYAMGDNFDDE-SNVBAGLBSA-N 2 0 212.362 1.224 20 0 BDADRP C1C[C@H]([NH2+][C@@H]2CC[C@H]3[NH2+]CCC[C@@H]3C2)CO1 ZINC001574798998 992910017 /nfs/dbraw/zinc/91/00/17/992910017.db2.gz BVXKMCGCIZTWOP-FVCCEPFGSA-N 2 0 224.348 1.286 20 0 BDADRP C([NH2+][C@]12C[C@H]1COC21CCC1)C1CC[NH2+]CC1 ZINC001574796680 992911349 /nfs/dbraw/zinc/91/13/49/992911349.db2.gz ZWRJWTKQFOUFQF-GXTWGEPZSA-N 2 0 236.359 1.287 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)[C@H](C)O ZINC001262570183 992928322 /nfs/dbraw/zinc/92/83/22/992928322.db2.gz PMJFKNBAHYMOIJ-DYEKYZERSA-N 2 0 240.391 1.467 20 0 BDADRP CC(C)(C)OC(=O)CC[NH2+]CC(C)(C)C[NH3+] ZINC001575315505 993010506 /nfs/dbraw/zinc/01/05/06/993010506.db2.gz QPONCDXNYPODER-UHFFFAOYSA-N 2 0 230.352 1.293 20 0 BDADRP CC(C)(O)CC[N@@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001575379741 993030090 /nfs/dbraw/zinc/03/00/90/993030090.db2.gz KBHCAFXVTGPUPT-CQSZACIVSA-N 2 0 240.391 1.756 20 0 BDADRP CC(C)(O)CC[N@@H+]1C2CCC1(C[NH3+])CC2 ZINC001575379787 993030524 /nfs/dbraw/zinc/03/05/24/993030524.db2.gz LFBPCPXFXXDCCM-UHFFFAOYSA-N 2 0 212.337 1.103 20 0 BDADRP CC(C)(O)C[N@H+](C[C@@H]1CCCC[NH2+]C1)C1CC1 ZINC001575380619 993034969 /nfs/dbraw/zinc/03/49/69/993034969.db2.gz XTSMRTQYUAZTDA-GFCCVEGCSA-N 2 0 240.391 1.611 20 0 BDADRP CC(C)[C@H](C[NH3+])CNC[C@H]1C[NH+]2CCC1CC2 ZINC001575421753 993039850 /nfs/dbraw/zinc/03/98/50/993039850.db2.gz CNXISJXQUOFPAE-KGLIPLIRSA-N 2 0 239.407 1.149 20 0 BDADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCC[C@@H]1CCO1 ZINC001575453934 993048146 /nfs/dbraw/zinc/04/81/46/993048146.db2.gz XPHKLHDWOYFACY-OLZOCXBDSA-N 2 0 228.380 1.861 20 0 BDADRP CC(C)[C@H](O)C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC001575473360 993051611 /nfs/dbraw/zinc/05/16/11/993051611.db2.gz UMNQUFIBOONIPI-TZMCWYRMSA-N 2 0 242.407 1.700 20 0 BDADRP CC(C)C[C@@H]([NH3+])CC(=O)NC(C)(C)C[NH+](C)C ZINC001575627116 993086612 /nfs/dbraw/zinc/08/66/12/993086612.db2.gz JYTKZIDJHFRJIP-LLVKDONJSA-N 2 0 243.395 1.206 20 0 BDADRP CC(C)[N@@H+]1CCCC[C@H]1CN1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001575699757 993099688 /nfs/dbraw/zinc/09/96/88/993099688.db2.gz KRAZUAGIKWJWQF-IHRRRGAJSA-N 2 0 237.391 1.295 20 0 BDADRP CC(C)C[C@@H]([NH3+])CC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001263106261 993116098 /nfs/dbraw/zinc/11/60/98/993116098.db2.gz PYVXAUXAJJFLPG-UTUOFQBUSA-N 2 0 241.379 1.136 20 0 BDADRP CC(C)C[C@@H]([NH3+])CC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001263106259 993116145 /nfs/dbraw/zinc/11/61/45/993116145.db2.gz PYVXAUXAJJFLPG-QJPTWQEYSA-N 2 0 241.379 1.136 20 0 BDADRP CC(C)C[C@@H]([NH3+])CC(=O)N(C)C1(C[NH3+])CCC1 ZINC001263109806 993120661 /nfs/dbraw/zinc/12/06/61/993120661.db2.gz GLFNAIHAURFEHS-LLVKDONJSA-N 2 0 241.379 1.090 20 0 BDADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H](C)CC[NH+](C)C ZINC001575954331 993139301 /nfs/dbraw/zinc/13/93/01/993139301.db2.gz SEMWMJSWWSINPM-NWDGAFQWSA-N 2 0 243.395 1.064 20 0 BDADRP C[C@H](CCO)[NH2+]CC[C@H]1CCC[NH2+]CC1 ZINC001575968075 993142646 /nfs/dbraw/zinc/14/26/46/993142646.db2.gz VAXFNEASMFHGEW-NEPJUHHUSA-N 2 0 214.353 1.127 20 0 BDADRP C[C@](C[NH3+])([NH2+]Cc1cc[nH]c(=O)c1)C1CC1 ZINC001575976012 993145642 /nfs/dbraw/zinc/14/56/42/993145642.db2.gz QHCLPDXMKDPWDK-GFCCVEGCSA-N 2 0 221.304 1.004 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]Cc1cc(F)ccc1N(C)C ZINC001575987376 993150436 /nfs/dbraw/zinc/15/04/36/993150436.db2.gz FPWIZBJTQFUIAH-JTQLQIEISA-N 2 0 239.338 1.576 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]Cc1cnn2ccccc12 ZINC001575988255 993150913 /nfs/dbraw/zinc/15/09/13/993150913.db2.gz KYIKKBJPLDGFST-SNVBAGLBSA-N 2 0 218.304 1.019 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]Cc1cc(F)ccc1N(C)C ZINC001575987379 993151744 /nfs/dbraw/zinc/15/17/44/993151744.db2.gz FPWIZBJTQFUIAH-SNVBAGLBSA-N 2 0 239.338 1.576 20 0 BDADRP C[C@@H](C[NH3+])CNc1cc[nH+]cc1C(F)(F)F ZINC001575989380 993154116 /nfs/dbraw/zinc/15/41/16/993154116.db2.gz WRDDEVRYDHBAIT-ZETCQYMHSA-N 2 0 233.237 1.529 20 0 BDADRP C[C@H](CNC[C@H]([NH3+])CC(F)(F)F)C[NH+](C)C ZINC001576032491 993162462 /nfs/dbraw/zinc/16/24/62/993162462.db2.gz FLLNQCXLVHCDFT-RKDXNWHRSA-N 2 0 241.301 1.053 20 0 BDADRP C[C@@H](Cc1ccno1)[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576067688 993169557 /nfs/dbraw/zinc/16/95/57/993169557.db2.gz YBVHXLWENQTNNB-GARJFASQSA-N 2 0 223.320 1.323 20 0 BDADRP C[C@@H](Cc1cnccn1)[NH2+]C1CC2(CC([NH3+])C2)C1 ZINC001576065622 993170776 /nfs/dbraw/zinc/17/07/76/993170776.db2.gz GIKXPGLVACPDML-LHDGGZGMSA-N 2 0 246.358 1.267 20 0 BDADRP C[C@@H]([NH2+]C1CC2(CC([NH3+])C2)C1)c1cnccn1 ZINC001576239258 993226465 /nfs/dbraw/zinc/22/64/65/993226465.db2.gz LXLAGSXUSPQEPJ-VHSBIODMSA-N 2 0 232.331 1.397 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CC[C@@H]([NH3+])C1)[C@@H]1CCCO1 ZINC001576244570 993228354 /nfs/dbraw/zinc/22/83/54/993228354.db2.gz LSMRMNKMXTYUMZ-YFKTTZPYSA-N 2 0 212.337 1.271 20 0 BDADRP COCC[NH2+]C1CCC([NH+](C)C)CC1 ZINC000379599268 993263550 /nfs/dbraw/zinc/26/35/50/993263550.db2.gz JCIODARIFOKTAN-UHFFFAOYSA-N 2 0 200.326 1.095 20 0 BDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC001576379979 993284817 /nfs/dbraw/zinc/28/48/17/993284817.db2.gz FASXYSHKZGBKQC-CYDGBPFRSA-N 2 0 240.391 1.643 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC001576379980 993285363 /nfs/dbraw/zinc/28/53/63/993285363.db2.gz FASXYSHKZGBKQC-RVMXOQNASA-N 2 0 240.391 1.643 20 0 BDADRP CC1(C)CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CC(C)(C)N1 ZINC001576440680 993306783 /nfs/dbraw/zinc/30/67/83/993306783.db2.gz QEVFHGVXKGIUSR-TXEJJXNPSA-N 2 0 239.407 1.576 20 0 BDADRP C[C@@]1(C[N@@H+]2CCC[C@H](C[NH3+])C2)CCCCO1 ZINC001576502955 993324630 /nfs/dbraw/zinc/32/46/30/993324630.db2.gz JMIVDHGUFHEDGQ-OLZOCXBDSA-N 2 0 226.364 1.616 20 0 BDADRP C[C@@]1(C[NH2+]CC2C[NH2+]C2)COc2ccccc2O1 ZINC001576520129 993330132 /nfs/dbraw/zinc/33/01/32/993330132.db2.gz YVHIRKNKKJAKRX-CQSZACIVSA-N 2 0 248.326 1.026 20 0 BDADRP C[C@@]1(C[NH2+]C[C@H]2C[C@H]([NH3+])C2)CCCCO1 ZINC001576526289 993331448 /nfs/dbraw/zinc/33/14/48/993331448.db2.gz QJMCCQLTRBPHCO-SRVKXCTJSA-N 2 0 212.337 1.273 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C2CC3(C[C@H]3[NH3+])C2)CS1 ZINC001576625036 993357971 /nfs/dbraw/zinc/35/79/71/993357971.db2.gz WQYKOGQHAFTSQP-XJPIPGLHSA-N 2 0 212.362 1.350 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](C)[C@H](O)C2)CC[NH2+]1 ZINC001576598591 993362873 /nfs/dbraw/zinc/36/28/73/993362873.db2.gz MTKBFSSVMPKPAS-UMSGYPCISA-N 2 0 226.364 1.077 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C2CC3(CC([NH3+])C3)C2)CCO1 ZINC001576624000 993372847 /nfs/dbraw/zinc/37/28/47/993372847.db2.gz OEAPVRHWPIDYPI-RBTDDNDWSA-N 2 0 224.348 1.413 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCC2([NH3+])CCOCC2)CS1 ZINC001576624813 993373067 /nfs/dbraw/zinc/37/30/67/993373067.db2.gz UEZVELQHHAZPMN-WDEREUQCSA-N 2 0 244.404 1.368 20 0 BDADRP C[C@@H]1C[C@H](N[C@]23CCC[C@H]2[NH2+]CC3)CC[N@@H+]1C ZINC001576622186 993374045 /nfs/dbraw/zinc/37/40/45/993374045.db2.gz AVFAORAMTVDTIH-SYQHCUMBSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C2CC3(CC([NH3+])C3)C2)[C@@H](C)O1 ZINC001576622888 993374385 /nfs/dbraw/zinc/37/43/85/993374385.db2.gz HUFHNXVPICYBCB-WBORGWDPSA-N 2 0 224.348 1.412 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+]C2CC3(C[C@@H]3[NH3+])C2)O1 ZINC001576649968 993384394 /nfs/dbraw/zinc/38/43/94/993384394.db2.gz JHAAKXHMIMDQGS-BURVXQHBSA-N 2 0 210.321 1.023 20 0 BDADRP COC[C@H]([NH2+][C@H]1CCC[N@H+](C)CC1)C1CC1 ZINC000381312219 993384992 /nfs/dbraw/zinc/38/49/92/993384992.db2.gz LVVLQZIAFGXVNQ-STQMWFEESA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1CC[C@H](N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)C[NH2+]1 ZINC001576665881 993385426 /nfs/dbraw/zinc/38/54/26/993385426.db2.gz HUBWMKWISOSCRF-PEBLQZBPSA-N 2 0 237.391 1.057 20 0 BDADRP CC[C@H](C)[C@@H](CO)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC000381367983 993388934 /nfs/dbraw/zinc/38/89/34/993388934.db2.gz HKRALZFNNIUCPQ-YNEHKIRRSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1O ZINC001576689360 993395545 /nfs/dbraw/zinc/39/55/45/993395545.db2.gz APXAKAYADILGEP-LPWJVIDDSA-N 2 0 226.364 1.125 20 0 BDADRP C[C@H]1CCCN1CC[NH2+]Cc1cccc(C[NH3+])c1 ZINC001576712947 993401036 /nfs/dbraw/zinc/40/10/36/993401036.db2.gz CNIYNJBITWGJLM-ZDUSSCGKSA-N 2 0 247.386 1.719 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CCC[C@]12CCOC2 ZINC000381506763 993401841 /nfs/dbraw/zinc/40/18/41/993401841.db2.gz FFHZWNPUHNWXIG-CYBMUJFWSA-N 2 0 224.348 1.241 20 0 BDADRP C[C@H]1CSC[C@H]1[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC001576860045 993439759 /nfs/dbraw/zinc/43/97/59/993439759.db2.gz FHZIBRVLJXHMOT-VPOLOUISSA-N 2 0 214.378 1.183 20 0 BDADRP C[C@H]1CC[N@H+](C[C@H]2COC(C)(C)O2)C[C@H]1C[NH3+] ZINC001576731683 993407661 /nfs/dbraw/zinc/40/76/61/993407661.db2.gz MVSLRVJEHNTKJU-TUAOUCFPSA-N 2 0 242.363 1.055 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C[C@@H]1CO ZINC001576732468 993410033 /nfs/dbraw/zinc/41/00/33/993410033.db2.gz VBDSLAOWKLIAFQ-YVECIDJPSA-N 2 0 226.364 1.064 20 0 BDADRP C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC001576731936 993410472 /nfs/dbraw/zinc/41/04/72/993410472.db2.gz PQKBGCBNAZNZOI-PEBLQZBPSA-N 2 0 240.391 1.323 20 0 BDADRP C[C@H]1CC[N@H+](Cc2cc[nH]c(=O)c2)C[C@@H]1C[NH3+] ZINC001576734691 993412828 /nfs/dbraw/zinc/41/28/28/993412828.db2.gz IMWREGDFBSVYRY-JQWIXIFHSA-N 2 0 235.331 1.204 20 0 BDADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC[C@H]1CCC[N@@H+]1C ZINC001576750090 993414217 /nfs/dbraw/zinc/41/42/17/993414217.db2.gz VGOAHIBOAQYHEQ-LPWJVIDDSA-N 2 0 225.380 1.057 20 0 BDADRP C[C@H]1C[N@H+](C[C@@]2(O)CC[NH2+]C2)CC(C)(C)C1 ZINC001576799781 993423413 /nfs/dbraw/zinc/42/34/13/993423413.db2.gz CNZPXQFCLVDGIT-DGCLKSJQSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@H]1C[N@H+](CC23CC(C)(C2)OC3)CC[C@H]1[NH3+] ZINC001576801686 993428516 /nfs/dbraw/zinc/42/85/16/993428516.db2.gz SWVNYJYLQZXZOL-ZFDZMSFRSA-N 2 0 224.348 1.225 20 0 BDADRP C1[C@H]2CCCC[C@@H]2C[NH+]1[C@H]1CCC[NH2+]C1 ZINC000381910625 993432280 /nfs/dbraw/zinc/43/22/80/993432280.db2.gz ZSGQHCGQDSDDEH-UPJWGTAASA-N 2 0 208.349 1.860 20 0 BDADRP C[C@@H]1COCC[C@H]1C[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001576853679 993433861 /nfs/dbraw/zinc/43/38/61/993433861.db2.gz JGEWPHBBSGXAJD-IJLVLRJLSA-N 2 0 224.348 1.128 20 0 BDADRP C[C@@H]1Cc2cc(CN[C@@H]3[C@H]4C[NH2+]C[C@H]43)ccc2O1 ZINC001576861747 993439124 /nfs/dbraw/zinc/43/91/24/993439124.db2.gz GLHLYXCTBWYMPJ-JWFUOXDNSA-N 2 0 244.338 1.317 20 0 BDADRP C[C@@H]1Cc2n[nH]cc2C[N@@H+](CCC2C[NH2+]C2)C1 ZINC001576861352 993439918 /nfs/dbraw/zinc/43/99/18/993439918.db2.gz CRXZZYRNBDATKC-SNVBAGLBSA-N 2 0 234.347 1.013 20 0 BDADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc2c[nH+]cn2c1 ZINC001576886136 993445987 /nfs/dbraw/zinc/44/59/87/993445987.db2.gz ODYXLPYMNBXZHQ-SKDRFNHKSA-N 2 0 244.298 1.271 20 0 BDADRP C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC001576905002 993451579 /nfs/dbraw/zinc/45/15/79/993451579.db2.gz ZTZHXGXYIOJYGS-USTYEKHQSA-N 2 0 226.364 1.243 20 0 BDADRP CC[C@@H](C[C@@H](C)O)[NH2+]CCC1([NH3+])CCOCC1 ZINC001577043279 993485332 /nfs/dbraw/zinc/48/53/32/993485332.db2.gz FGUUQZZEHAWVGG-NEPJUHHUSA-N 2 0 244.379 1.024 20 0 BDADRP CCC(CC)(CC(=O)OC)[NH2+]CCC1C[NH2+]C1 ZINC001577050614 993490089 /nfs/dbraw/zinc/49/00/89/993490089.db2.gz ZQCFIFJQAOIFOI-UHFFFAOYSA-N 2 0 242.363 1.307 20 0 BDADRP CC[C@H](CSC)[NH2+]C[C@H]([NH3+])CCOC ZINC001577092845 993501060 /nfs/dbraw/zinc/50/10/60/993501060.db2.gz JIZYJLLLYCNXJV-NXEZZACHSA-N 2 0 220.382 1.081 20 0 BDADRP CC[C@@H]([NH2+]CC(C)(C)C[NH3+])[C@@H](O)C(C)C ZINC001577176307 993530806 /nfs/dbraw/zinc/53/08/06/993530806.db2.gz YSJXYGQATFYHFL-MNOVXSKESA-N 2 0 216.369 1.356 20 0 BDADRP CC[C@H]([NH2+]C[C@@]1(O)CC[NH2+]C1)[C@H]1CC1(C)C ZINC001577176215 993533701 /nfs/dbraw/zinc/53/37/01/993533701.db2.gz WEXHGAKVKRYPDQ-NTZNESFSSA-N 2 0 226.364 1.125 20 0 BDADRP CC[C@H]1C[C@H](C[NH2+][C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC001577240811 993556755 /nfs/dbraw/zinc/55/67/55/993556755.db2.gz NDEVMAFQERYNKY-WYUUTHIRSA-N 2 0 212.337 1.271 20 0 BDADRP CC[C@@H]1CC[N@H+](C[C@@](C)(O)C[NH2+]C)[C@H]1C ZINC001577263657 993573584 /nfs/dbraw/zinc/57/35/84/993573584.db2.gz UHOPAEKCMRLELB-TUAOUCFPSA-N 2 0 214.353 1.077 20 0 BDADRP CCC[C@]1(C)CCC[N@H+](C[C@H](O)C[NH2+]C)C1 ZINC001577371654 993626094 /nfs/dbraw/zinc/62/60/94/993626094.db2.gz GCBUIPSIXSGSBR-CHWSQXEVSA-N 2 0 228.380 1.469 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H](C)CC[NH+](C)C ZINC001577390371 993638274 /nfs/dbraw/zinc/63/82/74/993638274.db2.gz LFICJRNYMHZZFS-RYUDHWBXSA-N 2 0 243.395 1.208 20 0 BDADRP CCCCC[N@H+](CCO)CC1(C[NH3+])CCC1 ZINC001577435325 993663992 /nfs/dbraw/zinc/66/39/92/993663992.db2.gz XQEMSMFBLRDWJC-UHFFFAOYSA-N 2 0 228.380 1.600 20 0 BDADRP CCCCN1C[C@@H](C)O[C@]2(CC[NH2+]C2)C1 ZINC001577458043 993669007 /nfs/dbraw/zinc/66/90/07/993669007.db2.gz QBYIERUOFIJBIQ-NEPJUHHUSA-N 2 0 212.337 1.239 20 0 BDADRP CCCN(CCC[NH+](C)C)C(=O)[C@@H](C)[NH2+]CC ZINC001577519777 993675926 /nfs/dbraw/zinc/67/59/26/993675926.db2.gz VVCHSZMJOMZYMD-GFCCVEGCSA-N 2 0 243.395 1.175 20 0 BDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@H](C)C[NH2+]C ZINC001577510326 993676235 /nfs/dbraw/zinc/67/62/35/993676235.db2.gz KFTDRRVJXOJXFQ-VXGBXAGGSA-N 2 0 243.395 1.079 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)C(C)(C)C[NH3+] ZINC001577510308 993677506 /nfs/dbraw/zinc/67/75/06/993677506.db2.gz JLZVARVCTXBGLQ-NSHDSACASA-N 2 0 243.395 1.208 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCCOCC2)CC1 ZINC000390283699 993784663 /nfs/dbraw/zinc/78/46/63/993784663.db2.gz WACVRCRYOJMVEJ-OLZOCXBDSA-N 2 0 226.364 1.629 20 0 BDADRP CCC[NH+](CCC)C[C@@H](O)C[NH+](CC)CC ZINC000390582343 993796724 /nfs/dbraw/zinc/79/67/24/993796724.db2.gz PSVVBTCGMCBYJY-ZDUSSCGKSA-N 2 0 230.396 1.811 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000702217693 993974047 /nfs/dbraw/zinc/97/40/47/993974047.db2.gz XBJVYZZQRKFBSC-MMWGEVLESA-N 2 0 200.326 1.127 20 0 BDADRP C[C@H]1C[N@H+](CC2C[C@@H](C)O[C@H](C)C2)C[C@H]1C[NH3+] ZINC000724416766 994067099 /nfs/dbraw/zinc/06/70/99/994067099.db2.gz FSUDNMPIUBBNSO-FMCLSXCISA-N 2 0 240.391 1.717 20 0 BDADRP CO[C@@H](C)[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000161563184 349473887 /nfs/dbraw/zinc/47/38/87/349473887.db2.gz ZYIPPUXKDDEGAL-RYUDHWBXSA-N 2 0 228.380 1.872 20 0 BDADRP C[C@@H]([NH2+]CCOC1CCCCC1)C1C[NH2+]C1 ZINC000422942738 398159096 /nfs/dbraw/zinc/15/90/96/398159096.db2.gz JSNLXSUVJBPDGM-LLVKDONJSA-N 2 0 226.364 1.533 20 0 BDADRP Cc1cc(N[C@@H](C)C[N@H+](C)C(C)C)cc[nH+]1 ZINC000336664911 398179119 /nfs/dbraw/zinc/17/91/19/398179119.db2.gz LCZPTIHAFVURAF-LBPRGKRZSA-N 2 0 221.348 1.953 20 0 BDADRP CC[N@@H+]1CCCN(CC[C@@H]2CCC[NH+]2C)CC1 ZINC000161889244 349513535 /nfs/dbraw/zinc/51/35/35/349513535.db2.gz HKBMXKFMNQTKQR-AWEZNQCLSA-N 2 0 239.407 1.498 20 0 BDADRP CC[C@H](C[NH2+]C[C@@H]1CNCCO1)c1ccccc1 ZINC000415097962 398161800 /nfs/dbraw/zinc/16/18/00/398161800.db2.gz UQEGMGJMMBAQQI-HIFRSBDPSA-N 2 0 248.370 1.758 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+]CCc2ccccn2)CC[NH2+]1 ZINC000415117631 398163102 /nfs/dbraw/zinc/16/31/02/398163102.db2.gz VVDWFXIRFOOOAG-CHWSQXEVSA-N 2 0 233.359 1.602 20 0 BDADRP C[C@H]([NH2+][C@H](CO)CC1CCCC1)C1C[NH2+]C1 ZINC000423023510 398163313 /nfs/dbraw/zinc/16/33/13/398163313.db2.gz JUFWMLGWHQZWCL-GWCFXTLKSA-N 2 0 226.364 1.125 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCC[C@H](CO)C1 ZINC000423174003 398164198 /nfs/dbraw/zinc/16/41/98/398164198.db2.gz AWVRVFMPFCVCBU-RQJABVFESA-N 2 0 240.391 1.515 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](CO)C1 ZINC000423174004 398164511 /nfs/dbraw/zinc/16/45/11/398164511.db2.gz AWVRVFMPFCVCBU-SYQHCUMBSA-N 2 0 240.391 1.515 20 0 BDADRP C[C@@H]1[C@H]([NH2+][C@H]2CCCOCC2)CCCN1C ZINC000336745721 398186737 /nfs/dbraw/zinc/18/67/37/398186737.db2.gz QVVOMQXDCJLCEB-FRRDWIJNSA-N 2 0 226.364 1.628 20 0 BDADRP O[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647795763 398194428 /nfs/dbraw/zinc/19/44/28/398194428.db2.gz VTQWNBJXWFEQSZ-BJJPWKGXSA-N 2 0 238.375 1.268 20 0 BDADRP Cc1cc(N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc[nH+]1 ZINC000162912503 178121927 /nfs/dbraw/zinc/12/19/27/178121927.db2.gz JHOJNSXZOCUSJG-YUTCNCBUSA-N 2 0 231.343 1.954 20 0 BDADRP COC[C@H](C)[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000226330631 398213948 /nfs/dbraw/zinc/21/39/48/398213948.db2.gz WBANXAPLUPMFLU-HBNTYKKESA-N 2 0 200.326 1.081 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)C1CCCC1 ZINC000380986102 398216327 /nfs/dbraw/zinc/21/63/27/398216327.db2.gz DDSZMLCCGCIUEA-CYBMUJFWSA-N 2 0 228.380 1.562 20 0 BDADRP Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000643512129 398224521 /nfs/dbraw/zinc/22/45/21/398224521.db2.gz QQNZCNVMIWRCMA-GAFUQQFSSA-N 2 0 236.363 1.886 20 0 BDADRP Cn1ccc(C[NH2+]C(C)(C)CCC[NH+](C)C)n1 ZINC000387225348 398228811 /nfs/dbraw/zinc/22/88/11/398228811.db2.gz MBOSAPXUUZLYDB-UHFFFAOYSA-N 2 0 238.379 1.630 20 0 BDADRP C[C@H](CNC(=O)CCC[NH3+])[N@@H+]1CCCC[C@@H]1C ZINC000430766221 398231924 /nfs/dbraw/zinc/23/19/24/398231924.db2.gz WMPMCXXZNBIQAR-NWDGAFQWSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@@H](CNC(=O)CCC[NH3+])[N@@H+]1CCCC[C@H]1C ZINC000430765998 398232314 /nfs/dbraw/zinc/23/23/14/398232314.db2.gz WMPMCXXZNBIQAR-NEPJUHHUSA-N 2 0 241.379 1.104 20 0 BDADRP Cc1cc([C@@H](C)[NH2+]CCCC[NH+](C)C)no1 ZINC000309396311 178223746 /nfs/dbraw/zinc/22/37/46/178223746.db2.gz GQFIOQSLLVYJJT-LLVKDONJSA-N 2 0 225.336 1.975 20 0 BDADRP Cc1cc([C@@H](C)[NH2+]CCCC[NH+](C)C)nn1C ZINC000337532059 178225259 /nfs/dbraw/zinc/22/52/59/178225259.db2.gz VUMOVOBCYRFKSM-GFCCVEGCSA-N 2 0 238.379 1.721 20 0 BDADRP CO[C@H]1CCC[C@H]([NH2+]CC2([NH3+])CCC2)C1 ZINC000643517922 398231246 /nfs/dbraw/zinc/23/12/46/398231246.db2.gz AVWLZCFAEBZHQQ-QWRGUYRKSA-N 2 0 212.337 1.415 20 0 BDADRP [NH3+]C[C@H]1c2ccccc2CCN1CCCF ZINC000159508637 323001253 /nfs/dbraw/zinc/00/12/53/323001253.db2.gz ZPIMMLGHYOWZSC-ZDUSSCGKSA-N 2 0 222.307 1.904 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H]2CCCO2)c2ccccc21 ZINC000252782484 136226968 /nfs/dbraw/zinc/22/69/68/136226968.db2.gz NJNJLDKYGPFIOA-LERXQTSPSA-N 2 0 232.327 1.900 20 0 BDADRP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](C)CO)CC1 ZINC000678045532 488175599 /nfs/dbraw/zinc/17/55/99/488175599.db2.gz MXQJKISIFQJYLJ-LBPRGKRZSA-N 2 0 228.380 1.419 20 0 BDADRP Cc1ccc2ncc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])n2c1 ZINC000576518321 365616637 /nfs/dbraw/zinc/61/66/37/365616637.db2.gz RROOYLHLVFBFRO-RYUDHWBXSA-N 2 0 246.358 1.858 20 0 BDADRP C[C@@H]1CCCC[C@@H]1C[NH2+]CCOCC[NH+](C)C ZINC000349190574 398245540 /nfs/dbraw/zinc/24/55/40/398245540.db2.gz KPSBWUCOOOKEQF-ZIAGYGMSSA-N 2 0 242.407 1.981 20 0 BDADRP COCC[C@H](C)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000390816894 398250641 /nfs/dbraw/zinc/25/06/41/398250641.db2.gz MYTXWSOALJDKHS-SDDRHHMPSA-N 2 0 212.337 1.095 20 0 BDADRP COCCCCC[NH+]1CCC(C)([NH3+])CC1 ZINC000381492228 398257179 /nfs/dbraw/zinc/25/71/79/398257179.db2.gz YKMZNVHURIRNCN-UHFFFAOYSA-N 2 0 214.353 1.616 20 0 BDADRP Cc1nccn1CC[NH+]1[C@H](C)CC(O)C[C@H]1C ZINC000334538638 136230698 /nfs/dbraw/zinc/23/06/98/136230698.db2.gz DVIHNSAOQLMOFI-GHMZBOCLSA-N 2 0 237.347 1.425 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCCCN1C1CC1)[C@H](C)O ZINC000576747313 365673676 /nfs/dbraw/zinc/67/36/76/365673676.db2.gz PRHOWHFQWJXTPR-MDZLAQPJSA-N 2 0 226.364 1.362 20 0 BDADRP COCC(C)(C)[NH2+]C[C@H]1CCCN1C ZINC000386289426 398264737 /nfs/dbraw/zinc/26/47/37/398264737.db2.gz HLYMAZJCKGCDLC-SNVBAGLBSA-N 2 0 200.326 1.095 20 0 BDADRP CCN1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000040502666 343997742 /nfs/dbraw/zinc/99/77/42/343997742.db2.gz JAKNDYJHHKKNDY-GFCCVEGCSA-N 2 0 212.337 1.239 20 0 BDADRP C(C1CCCC1)[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000381609178 398266928 /nfs/dbraw/zinc/26/69/28/398266928.db2.gz RJZKPHYSXXMWKF-QWHCGFSZSA-N 2 0 208.349 1.860 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](C[C@H]2CCOC2)C1 ZINC000251323926 398269155 /nfs/dbraw/zinc/26/91/55/398269155.db2.gz OLYAJENJVRUXJK-NWDGAFQWSA-N 2 0 212.337 1.084 20 0 BDADRP CCC(CC)[N@H+](CCOC)C[C@@H](C)[NH3+] ZINC000044415374 168374717 /nfs/dbraw/zinc/37/47/17/168374717.db2.gz QWFOMSQLQJHARU-SNVBAGLBSA-N 2 0 202.342 1.471 20 0 BDADRP CCOC1CC[NH+](CCn2ccnc2)CC1 ZINC000179314589 538954913 /nfs/dbraw/zinc/95/49/13/538954913.db2.gz DNZQDMLZNDPZPV-UHFFFAOYSA-N 2 0 223.320 1.384 20 0 BDADRP C[C@@H]([NH2+]CC(C)(C)N(C)C)C1CC[NH+](C)CC1 ZINC000037220639 538961982 /nfs/dbraw/zinc/96/19/82/538961982.db2.gz GJQGYCSEGBXCPR-GFCCVEGCSA-N 2 0 241.423 1.647 20 0 BDADRP CCC[NH+]1CCC([NH2+]CC2(CO)CCC2)CC1 ZINC000184529074 538968839 /nfs/dbraw/zinc/96/88/39/538968839.db2.gz UQQXAAUQNASPSU-UHFFFAOYSA-N 2 0 240.391 1.613 20 0 BDADRP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)c1ncc[nH]1 ZINC000629994737 361877987 /nfs/dbraw/zinc/87/79/87/361877987.db2.gz QYSLATSXGAEFHC-SECBINFHSA-N 2 0 236.319 1.071 20 0 BDADRP CCC(CC)[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000360245846 168386841 /nfs/dbraw/zinc/38/68/41/168386841.db2.gz RACVDJTUJPERPE-UHFFFAOYSA-N 2 0 242.407 2.000 20 0 BDADRP CC[C@H](C)N[C@@H](CNC(N)=[NH2+])c1ccco1 ZINC000348744141 136237495 /nfs/dbraw/zinc/23/74/95/136237495.db2.gz AFPPCRBKQUTQLD-IUCAKERBSA-N 2 0 224.308 1.192 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](CCCn2ccnc2C)C1 ZINC000348749053 136238061 /nfs/dbraw/zinc/23/80/61/136238061.db2.gz MTNXBPOVJRUMLX-ZDUSSCGKSA-N 2 0 236.363 1.123 20 0 BDADRP C[C@@H]([NH2+]CCn1ccnc1)C1CC[NH+](C)CC1 ZINC000041119448 538974377 /nfs/dbraw/zinc/97/43/77/538974377.db2.gz REAOAKAYCFPRQI-GFCCVEGCSA-N 2 0 236.363 1.203 20 0 BDADRP CC(C)[C@](C)(O)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000380190399 538986779 /nfs/dbraw/zinc/98/67/79/538986779.db2.gz PTDYMCQMFRWPHE-GXTWGEPZSA-N 2 0 242.407 1.713 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]C1CC(C)C1 ZINC000234709204 536593301 /nfs/dbraw/zinc/59/33/01/536593301.db2.gz FJECWKLGYJLXSO-HSOILSAZSA-N 2 0 200.326 1.128 20 0 BDADRP COC1(C[NH2+]CCC[NH2+]C2CC2)CCCC1 ZINC000382556570 361958499 /nfs/dbraw/zinc/95/84/99/361958499.db2.gz LBPKKVGBSUZLCO-UHFFFAOYSA-N 2 0 226.364 1.677 20 0 BDADRP CCc1nn(C)cc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000392261080 539028069 /nfs/dbraw/zinc/02/80/69/539028069.db2.gz DEWMUAIBLNLTCX-UHFFFAOYSA-N 2 0 248.374 1.334 20 0 BDADRP C[C@@H](CCCCO)[NH2+]C[C@H]1CCCN1C ZINC000308839726 342873966 /nfs/dbraw/zinc/87/39/66/342873966.db2.gz JQORENVDSGTCLG-NWDGAFQWSA-N 2 0 214.353 1.221 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)CS1 ZINC000392271924 398316897 /nfs/dbraw/zinc/31/68/97/398316897.db2.gz VDOMDHGBYBTKDO-ZYHUDNBSSA-N 2 0 226.389 1.732 20 0 BDADRP C[NH+]1CCC2(CC[N@H+](CCn3cccn3)C2)CC1 ZINC000639756554 398326243 /nfs/dbraw/zinc/32/62/43/398326243.db2.gz WVJFBMRPIMCLCE-UHFFFAOYSA-N 2 0 248.374 1.301 20 0 BDADRP C[C@@H]([NH3+])CC(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000037608557 398332489 /nfs/dbraw/zinc/33/24/89/398332489.db2.gz YTQFBGQFTFFIKT-SNVBAGLBSA-N 2 0 235.331 1.424 20 0 BDADRP CCCC[N@H+](CC)CCN1CC[NH2+]CC1 ZINC000037482547 342937667 /nfs/dbraw/zinc/93/76/67/342937667.db2.gz FZYSJAVUJFLVJL-UHFFFAOYSA-N 2 0 213.369 1.014 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](C)CCCC[NH3+] ZINC000494703852 529464037 /nfs/dbraw/zinc/46/40/37/529464037.db2.gz OYFUEAHYJQITMR-WOPDTQHZSA-N 2 0 241.379 1.008 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H](C)CCCC[NH3+] ZINC000494703851 529464358 /nfs/dbraw/zinc/46/43/58/529464358.db2.gz OYFUEAHYJQITMR-UTUOFQBUSA-N 2 0 241.379 1.008 20 0 BDADRP COCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918020 398335291 /nfs/dbraw/zinc/33/52/91/398335291.db2.gz IINWDMPZYBKYRN-RYUDHWBXSA-N 2 0 212.337 1.097 20 0 BDADRP COCC1(C[NH2+]CC2=CC[N@H+](C)CC2)CCC1 ZINC000392850195 398335673 /nfs/dbraw/zinc/33/56/73/398335673.db2.gz IDCBJWYPXHTZOO-UHFFFAOYSA-N 2 0 238.375 1.655 20 0 BDADRP CC(C)([NH3+])CC(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000648179250 398341555 /nfs/dbraw/zinc/34/15/55/398341555.db2.gz YEKAHHOWUNJFMN-LLVKDONJSA-N 2 0 247.342 1.030 20 0 BDADRP CC[NH+](CC)[C@@H](CNC(=O)C[NH3+])c1ccccc1 ZINC000019479102 342949661 /nfs/dbraw/zinc/94/96/61/342949661.db2.gz CBWMGSRCBWCMAF-ZDUSSCGKSA-N 2 0 249.358 1.144 20 0 BDADRP CC(C)(C)CCC[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313355434 259333660 /nfs/dbraw/zinc/33/36/60/259333660.db2.gz PNMWHGDZXFCBQM-GFCCVEGCSA-N 2 0 228.380 1.862 20 0 BDADRP CCCC[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000040503689 346904252 /nfs/dbraw/zinc/90/42/52/346904252.db2.gz MJCVXOHSJFQLFZ-NWDGAFQWSA-N 2 0 241.379 1.104 20 0 BDADRP CCc1cc(NC[C@@](C)(O)C[NH+](C)C)cc[nH+]1 ZINC000307786553 529556812 /nfs/dbraw/zinc/55/68/12/529556812.db2.gz PFTPTDBKYDJMOJ-CYBMUJFWSA-N 2 0 237.347 1.369 20 0 BDADRP COC1CCC([NH2+][C@@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000335595010 536740561 /nfs/dbraw/zinc/74/05/61/536740561.db2.gz MDQWWNCNNPYCPP-BLYZHGLHSA-N 2 0 240.391 1.922 20 0 BDADRP O[C@H](C[NH2+][C@H]1CCC(F)(F)C1)C[NH+]1CCCC1 ZINC000384017991 343018511 /nfs/dbraw/zinc/01/85/11/343018511.db2.gz PKPCMPVQAWNKRW-WDEREUQCSA-N 2 0 248.317 1.221 20 0 BDADRP Cc1nccn1CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000309239532 259342026 /nfs/dbraw/zinc/34/20/26/259342026.db2.gz WHHHQSKQMZOMKZ-VXGBXAGGSA-N 2 0 222.336 1.051 20 0 BDADRP C[C@H](CCC1CC1)[NH2+]CC1([NH3+])CCOCC1 ZINC000398076463 343063270 /nfs/dbraw/zinc/06/32/70/343063270.db2.gz IWYBDPFETMRJMI-LLVKDONJSA-N 2 0 226.364 1.663 20 0 BDADRP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)C(C)(C)O ZINC000400716867 529666095 /nfs/dbraw/zinc/66/60/95/529666095.db2.gz NLBIWWXCFJQCPK-VWYCJHECSA-N 2 0 214.353 1.266 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCOCC2CC2)C1 ZINC000236316616 343091496 /nfs/dbraw/zinc/09/14/96/343091496.db2.gz HBYKKVYXLZDSCG-NWDGAFQWSA-N 2 0 212.337 1.273 20 0 BDADRP CCCN(CC)C[C@@H](C)[NH2+]C[C@H](C)COC ZINC000310010812 343145944 /nfs/dbraw/zinc/14/59/44/343145944.db2.gz IODCGGZBWJKYOA-QWHCGFSZSA-N 2 0 230.396 1.979 20 0 BDADRP C[NH2+]Cc1ccccc1NC(=O)CCC[NH3+] ZINC000237113327 343126332 /nfs/dbraw/zinc/12/63/32/343126332.db2.gz SPFYOUABBGVZDG-UHFFFAOYSA-N 2 0 221.304 1.083 20 0 BDADRP CCC(C)(C)[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000576939638 365726552 /nfs/dbraw/zinc/72/65/52/365726552.db2.gz QZFYDZBLHAFNCI-OLZOCXBDSA-N 2 0 242.407 1.857 20 0 BDADRP CCC(C)(C)[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000576939642 365726652 /nfs/dbraw/zinc/72/66/52/365726652.db2.gz QZFYDZBLHAFNCI-STQMWFEESA-N 2 0 242.407 1.857 20 0 BDADRP CC(C)[NH+](CCN[C@@H]1CCC[C@H]([NH3+])C1)C(C)C ZINC000093209313 343151002 /nfs/dbraw/zinc/15/10/02/343151002.db2.gz BCICUEDTSHIFQF-UONOGXRCSA-N 2 0 241.423 1.965 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](NC2CC[NH+](C3CC3)CC2)C1 ZINC000093214230 343151207 /nfs/dbraw/zinc/15/12/07/343151207.db2.gz NYXRRGMRAVJIGN-YPMHNXCESA-N 2 0 237.391 1.473 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)OCO3)C1 ZINC000093210133 343151231 /nfs/dbraw/zinc/15/12/31/343151231.db2.gz FHDAUBWPGKKCAA-NWDGAFQWSA-N 2 0 248.326 1.775 20 0 BDADRP CCn1cc(C[N@H+](C)CC2CC[NH2+]CC2)cn1 ZINC000094024704 343152366 /nfs/dbraw/zinc/15/23/66/343152366.db2.gz OHYOSKKZYDFEMO-UHFFFAOYSA-N 2 0 236.363 1.334 20 0 BDADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)[C@H](C)O ZINC000125164991 343166040 /nfs/dbraw/zinc/16/60/40/343166040.db2.gz YHKRNXPGDIMGAE-MNOVXSKESA-N 2 0 214.353 1.077 20 0 BDADRP CC[C@H](C)[N@H+](CC)C[C@@H]1CNCCO1 ZINC000043802181 488208307 /nfs/dbraw/zinc/20/83/07/488208307.db2.gz OTFKJBSNBOXZPO-QWRGUYRKSA-N 2 0 200.326 1.095 20 0 BDADRP C[NH2+]CCC1CC[NH+](CCCF)CC1 ZINC000088026381 136283953 /nfs/dbraw/zinc/28/39/53/136283953.db2.gz OFGKWKDRSOGYQF-UHFFFAOYSA-N 2 0 202.317 1.668 20 0 BDADRP C[NH2+]C[C@](C)(O)C[N@H+](C)C[C@H](C)C(C)(C)C ZINC000634688259 343246637 /nfs/dbraw/zinc/24/66/37/343246637.db2.gz NHPGFJLJHNTELA-AAEUAGOBSA-N 2 0 230.396 1.571 20 0 BDADRP CCC(O)(CC)C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000084222845 136290879 /nfs/dbraw/zinc/29/08/79/136290879.db2.gz GLDKJIBSYCWSSP-QWRGUYRKSA-N 2 0 214.353 1.255 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCC[NH+](C)C)CCO1 ZINC000069858507 343293103 /nfs/dbraw/zinc/29/31/03/343293103.db2.gz SGQCFRMVMNUDSC-MNOVXSKESA-N 2 0 200.326 1.095 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN(C)C[C@@]1(C)CC[NH2+]C1 ZINC000220959068 343304761 /nfs/dbraw/zinc/30/47/61/343304761.db2.gz HXYUOFYHKYPEHS-KGLIPLIRSA-N 2 0 239.407 1.402 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000335612683 136295446 /nfs/dbraw/zinc/29/54/46/136295446.db2.gz OOWNRFYXUCVECL-FBXCVGSESA-N 2 0 208.349 1.892 20 0 BDADRP Cc1ccc(CN[C@@H]2CC[NH2+][C@H](C)C2)nc1 ZINC000335641617 136308574 /nfs/dbraw/zinc/30/85/74/136308574.db2.gz URDMUCJGSNOPCF-VXGBXAGGSA-N 2 0 219.332 1.620 20 0 BDADRP C[NH+](C)Cc1ccccc1CNC(=O)CCC[NH3+] ZINC000040855249 343409981 /nfs/dbraw/zinc/40/99/81/343409981.db2.gz FFEBDDBLLBIPOH-UHFFFAOYSA-N 2 0 249.358 1.103 20 0 BDADRP CC(C)[C@@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000166320039 136344783 /nfs/dbraw/zinc/34/47/83/136344783.db2.gz HDMZDYKCWPQSPH-CHWSQXEVSA-N 2 0 210.365 1.964 20 0 BDADRP CC[C@H](O)[C@H](CC)[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400338073 529711713 /nfs/dbraw/zinc/71/17/13/529711713.db2.gz HYOCWSNXJRFILL-USZNOCQGSA-N 2 0 214.353 1.124 20 0 BDADRP C[C@H]1C[C@H]1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000349335239 136342242 /nfs/dbraw/zinc/34/22/42/136342242.db2.gz UIMYUCNJISLLNC-KBPBESRZSA-N 2 0 239.407 1.212 20 0 BDADRP CC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247982694 136373499 /nfs/dbraw/zinc/37/34/99/136373499.db2.gz NETAXUXTSYKSQU-AVGNSLFASA-N 2 0 226.364 1.173 20 0 BDADRP CC(C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000082478057 343444905 /nfs/dbraw/zinc/44/49/05/343444905.db2.gz WMTQJOOTZAZDHW-UHFFFAOYSA-N 2 0 213.369 1.010 20 0 BDADRP C[N@H+](CC[C@H]1CCCO1)C1CC[NH2+]CC1 ZINC000083528210 343488492 /nfs/dbraw/zinc/48/84/92/343488492.db2.gz NGDSWPLDJVDPEL-GFCCVEGCSA-N 2 0 212.337 1.239 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+]CCC[NH3+])C1(C)C ZINC000082922846 343471031 /nfs/dbraw/zinc/47/10/31/343471031.db2.gz SSAFJJMYJKYNKU-UWVGGRQHSA-N 2 0 200.326 1.128 20 0 BDADRP CCC[C@H](C)[N@H+](C)C[C@H](O)CN(C)CCOC ZINC000310563682 343537584 /nfs/dbraw/zinc/53/75/84/343537584.db2.gz WPLHPBDRFVTCAR-QWHCGFSZSA-N 2 0 246.395 1.046 20 0 BDADRP Cc1c[nH+]ccc1NCC1([NH+](C)C)CCOCC1 ZINC000192595792 365764398 /nfs/dbraw/zinc/76/43/98/365764398.db2.gz FTBGWUNRAZSTGL-UHFFFAOYSA-N 2 0 249.358 1.913 20 0 BDADRP C[NH2+][C@@H](C)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000052395783 343600153 /nfs/dbraw/zinc/60/01/53/343600153.db2.gz YGVVGRFXNKZDQM-WCQYABFASA-N 2 0 249.358 1.013 20 0 BDADRP C[C@H](NCc1ccccc1CO)[C@@H]1CCC[NH2+]1 ZINC000564824560 343628086 /nfs/dbraw/zinc/62/80/86/343628086.db2.gz JOXFCGSHYDJUNE-FZMZJTMJSA-N 2 0 234.343 1.409 20 0 BDADRP Cc1ccc(C[N@@H+](C)C2CC([NH3+])C2)cc1 ZINC000087653177 343655771 /nfs/dbraw/zinc/65/57/71/343655771.db2.gz IJANDZNGRVQPEP-UHFFFAOYSA-N 2 0 204.317 1.917 20 0 BDADRP CC1CC([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000231787472 343701550 /nfs/dbraw/zinc/70/15/50/343701550.db2.gz IIDBZPOJRKGASJ-CXQJBGSLSA-N 2 0 208.349 1.859 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621666693 343712681 /nfs/dbraw/zinc/71/26/81/343712681.db2.gz RFSGTLPMFVFMSD-SRVKXCTJSA-N 2 0 241.379 1.008 20 0 BDADRP Cc1ccccc1[C@@H](C)[NH2+]CCN1CC[C@H](O)C1 ZINC000624333019 343716188 /nfs/dbraw/zinc/71/61/88/343716188.db2.gz GHGIOFMLYUWIQX-KGLIPLIRSA-N 2 0 248.370 1.712 20 0 BDADRP CC(C)[N@@H+](C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000262753984 349863967 /nfs/dbraw/zinc/86/39/67/349863967.db2.gz OEAUQWQCVKNWER-RYUDHWBXSA-N 2 0 241.379 1.055 20 0 BDADRP CC[C@@H]([NH2+]CCC[NH2+]C(C)C)[C@@H]1CCOC1 ZINC000570562024 323063202 /nfs/dbraw/zinc/06/32/02/323063202.db2.gz HDLXEQIRPWFMDR-CHWSQXEVSA-N 2 0 228.380 1.779 20 0 BDADRP Cc1ncc(C[NH2+][C@H]2CSC2(C)C)n1C ZINC000570583157 323064106 /nfs/dbraw/zinc/06/41/06/323064106.db2.gz WQGJRZYNPJLZAY-JTQLQIEISA-N 2 0 225.361 1.712 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)C1 ZINC000634732763 344107459 /nfs/dbraw/zinc/10/74/59/344107459.db2.gz OHMRNOFZLNSXAX-STQMWFEESA-N 3 0 239.407 1.354 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CC2CC[NH2+]CC2)C1 ZINC000634732820 344108219 /nfs/dbraw/zinc/10/82/19/344108219.db2.gz PQKBCFDHEYWBCT-ZDUSSCGKSA-N 3 0 239.407 1.354 20 0 BDADRP CC[C@@H](COC)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733340 344113263 /nfs/dbraw/zinc/11/32/63/344113263.db2.gz CXCUKIKIAALYOH-NWDGAFQWSA-N 2 0 228.380 1.779 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CC2=CCCOC2)C1 ZINC000634733321 344113296 /nfs/dbraw/zinc/11/32/96/344113296.db2.gz CORYFENORNTVSM-ZDUSSCGKSA-N 2 0 238.375 1.701 20 0 BDADRP CC(C)[C@@H](C[NH3+])C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733535 344113865 /nfs/dbraw/zinc/11/38/65/344113865.db2.gz HMUPIXVRVMAEJG-STQMWFEESA-N 3 0 241.423 1.585 20 0 BDADRP C[C@]1(CN[C@H]2CC[NH2+]CC(C)(C)C2)CC[NH2+]C1 ZINC000634734138 344114586 /nfs/dbraw/zinc/11/45/86/344114586.db2.gz XXOKYEHPVJMEEP-JSGCOSHPSA-N 2 0 239.407 1.354 20 0 BDADRP CCN(C)C[C@H](O)C[N@H+]([C@@H](C)C1CC1)C1CC1 ZINC000570737118 323068941 /nfs/dbraw/zinc/06/89/41/323068941.db2.gz RFJULMHJLOHSNZ-FZMZJTMJSA-N 2 0 240.391 1.562 20 0 BDADRP CCC(CC)C[NH2+]C[C@@H]1CNCCO1 ZINC000130415325 344220035 /nfs/dbraw/zinc/22/00/35/344220035.db2.gz QGAAHGCQQRSPQK-NSHDSACASA-N 2 0 200.326 1.001 20 0 BDADRP C[C@H](CN(C)C)[NH2+][C@@H]1CCCOCC1 ZINC000130379520 344220882 /nfs/dbraw/zinc/22/08/82/344220882.db2.gz AFYQUXALMPJQBF-GHMZBOCLSA-N 2 0 200.326 1.095 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC[C@@H]1CC1(F)F ZINC000622043992 344227613 /nfs/dbraw/zinc/22/76/13/344227613.db2.gz RBJSWACWBAWGCF-ZRUFSTJUSA-N 2 0 248.317 1.374 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1NCC(C)(C)C[NH+](C)C ZINC000132131873 344279686 /nfs/dbraw/zinc/27/96/86/344279686.db2.gz PFZHDVRYURFJLX-STQMWFEESA-N 2 0 241.423 1.504 20 0 BDADRP CC1(C[NH2+]CCC[NH+]2CCC(O)CC2)CC1 ZINC000381252307 344286025 /nfs/dbraw/zinc/28/60/25/344286025.db2.gz PUVNXCOVCIVJGC-UHFFFAOYSA-N 2 0 226.364 1.223 20 0 BDADRP CSC[C@H]1CCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000400115930 344320811 /nfs/dbraw/zinc/32/08/11/344320811.db2.gz JOSINHBWJIQZGV-NWDGAFQWSA-N 2 0 228.405 1.813 20 0 BDADRP CSC[C@@H]1CCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000400115936 344320865 /nfs/dbraw/zinc/32/08/65/344320865.db2.gz JOSINHBWJIQZGV-RYUDHWBXSA-N 2 0 228.405 1.813 20 0 BDADRP CC[C@H]1C[N@H+](CCCCC(=O)OC)CC[C@@H]1[NH3+] ZINC000600709271 344360735 /nfs/dbraw/zinc/36/07/35/344360735.db2.gz IBDBCZHFLRJOPW-RYUDHWBXSA-N 2 0 242.363 1.389 20 0 BDADRP COC(=O)CCCC[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000600712504 344361725 /nfs/dbraw/zinc/36/17/25/344361725.db2.gz XSYCTHCLANPDNO-GHMZBOCLSA-N 2 0 228.336 1.141 20 0 BDADRP COC[C@H](C)C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000584274224 344374513 /nfs/dbraw/zinc/37/45/13/344374513.db2.gz BLWZZDBIFYQCFU-GFCCVEGCSA-N 2 0 228.380 1.733 20 0 BDADRP c1nc(NC2CC2)cc(N[C@@H]2CCC[NH2+]CC2)n1 ZINC000634813610 344399221 /nfs/dbraw/zinc/39/92/21/344399221.db2.gz RJOJPILADVVIDY-SNVBAGLBSA-N 2 0 247.346 1.605 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1NCc1ccccc1CO ZINC000577382996 344526082 /nfs/dbraw/zinc/52/60/82/344526082.db2.gz IMLYCSKVDLUQGK-LSDHHAIUSA-N 2 0 248.370 1.929 20 0 BDADRP C[NH2+]C[C@H]1CCCN(Cc2ccc(OC)nc2)C1 ZINC000158314691 344594465 /nfs/dbraw/zinc/59/44/65/344594465.db2.gz SORXHNDHCCMGND-GFCCVEGCSA-N 2 0 249.358 1.522 20 0 BDADRP Cc1csc(CNC[C@@H]([NH3+])C(C)C)n1 ZINC000049539117 344651916 /nfs/dbraw/zinc/65/19/16/344651916.db2.gz NGTRVTLSTXGZBN-SECBINFHSA-N 2 0 213.350 1.524 20 0 BDADRP OCCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835927 344792571 /nfs/dbraw/zinc/79/25/71/344792571.db2.gz XVZWJOMOWVDSCF-CYBMUJFWSA-N 2 0 226.364 1.177 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCCC[NH+](C)C)C[C@H](C)O1 ZINC000583362440 344810266 /nfs/dbraw/zinc/81/02/66/344810266.db2.gz YJZMUQGWHUXKBT-ITGUQSILSA-N 2 0 228.380 1.874 20 0 BDADRP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCC2CCC2)C1 ZINC000639761118 537865542 /nfs/dbraw/zinc/86/55/42/537865542.db2.gz DGWWWZMPYDSTGW-AWEZNQCLSA-N 2 0 240.391 1.565 20 0 BDADRP Cc1cccc(C[NH2+]CC2(O)CC[NH+](C)CC2)c1 ZINC000077450123 344824663 /nfs/dbraw/zinc/82/46/63/344824663.db2.gz XARFBRCAZVYTJY-UHFFFAOYSA-N 2 0 248.370 1.541 20 0 BDADRP c1csc(C[NH2+]CCCCn2ccnc2)n1 ZINC000082394372 344906003 /nfs/dbraw/zinc/90/60/03/344906003.db2.gz VHRRVIQKDMGCBA-UHFFFAOYSA-N 2 0 236.344 1.910 20 0 BDADRP Cc1ccc([C@H](O)C[NH+]2CCC([NH3+])CC2)cc1 ZINC000011729508 344983676 /nfs/dbraw/zinc/98/36/76/344983676.db2.gz UWIUSHHSJIAKTH-CQSZACIVSA-N 2 0 234.343 1.452 20 0 BDADRP C[N@@H+]1CCC[C@H]1CCN1CCOC[C@@H]1C1CC1 ZINC000154374337 345031378 /nfs/dbraw/zinc/03/13/78/345031378.db2.gz LVOPHOAITFOBBI-UONOGXRCSA-N 2 0 238.375 1.582 20 0 BDADRP Cc1ncc(CNC2CC[NH+](CC3CC3)CC2)o1 ZINC000628205375 345120986 /nfs/dbraw/zinc/12/09/86/345120986.db2.gz MTLMYMBQUHKIDR-UHFFFAOYSA-N 2 0 249.358 1.947 20 0 BDADRP C(C1CC1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000156493076 345168288 /nfs/dbraw/zinc/16/82/88/345168288.db2.gz GVZWNOODMPOWFX-ZDUSSCGKSA-N 2 0 208.349 1.814 20 0 BDADRP C(N1CCCC[C@H]1[C@H]1CCC[NH2+]1)C12CC(C1)C[NH2+]2 ZINC000634990752 345173098 /nfs/dbraw/zinc/17/30/98/345173098.db2.gz AWVBHABZGBPVNR-FUUBYGMNSA-N 2 0 249.402 1.345 20 0 BDADRP C([C@@H]1CCCN1CC12CC(C1)C[NH2+]2)[NH+]1CCCC1 ZINC000634992236 345179964 /nfs/dbraw/zinc/17/99/64/345179964.db2.gz IURXPRXCTQRDHJ-SLTAFYQDSA-N 2 0 249.402 1.299 20 0 BDADRP C(N1CCC([C@@H]2CC[NH2+]C2)CC1)C12CC(C1)C[NH2+]2 ZINC000634994588 345181532 /nfs/dbraw/zinc/18/15/32/345181532.db2.gz HZJMNXDUDWRCJG-HNFVBEJKSA-N 2 0 249.402 1.060 20 0 BDADRP C[N@H+](CCNCC12CC(C1)C[NH2+]2)C1CCCC1 ZINC000634995346 345184432 /nfs/dbraw/zinc/18/44/32/345184432.db2.gz BFRIEANMHAHFKU-UHFFFAOYSA-N 2 0 237.391 1.202 20 0 BDADRP CC(C)[C@@H](C[NH3+])C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000634995510 345185331 /nfs/dbraw/zinc/18/53/31/345185331.db2.gz HBLVSMJYWKPWDD-STQMWFEESA-N 3 0 227.396 1.339 20 0 BDADRP C(N1CCCC[C@@H]1[C@H]1CC[NH2+]C1)C12CC(C1)C[NH2+]2 ZINC000634995948 345185841 /nfs/dbraw/zinc/18/58/41/345185841.db2.gz UUNYWYZXBQEXBJ-RAFNIBEQSA-N 2 0 249.402 1.202 20 0 BDADRP CC[C@H](C)[N@H+](C)CCNC(=O)CC[NH2+]C(C)C ZINC000167195417 345134590 /nfs/dbraw/zinc/13/45/90/345134590.db2.gz VYOOXXRYUNZGFK-LBPRGKRZSA-N 2 0 243.395 1.221 20 0 BDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)CC[NH2+]C(C)C ZINC000167195300 345134596 /nfs/dbraw/zinc/13/45/96/345134596.db2.gz VYOOXXRYUNZGFK-GFCCVEGCSA-N 2 0 243.395 1.221 20 0 BDADRP C[C@@]12COC[C@]1(C)CN(CC13CC(C1)C[NH2+]3)C2 ZINC000634996278 345187761 /nfs/dbraw/zinc/18/77/61/345187761.db2.gz FJWFTTJRYYERMS-AKJUYKBHSA-N 2 0 236.359 1.097 20 0 BDADRP C[C@@H]1CC[C@H](C)N(CC23CC(C2)C[NH2+]3)C1 ZINC000634992847 345188141 /nfs/dbraw/zinc/18/81/41/345188141.db2.gz DBLJXXYGANTFBT-IALDZJHCSA-N 2 0 208.349 1.859 20 0 BDADRP CC[N@H+](C)C[C@H]1CCN(CC23CC(C2)C[NH2+]3)C1 ZINC000634993063 345188894 /nfs/dbraw/zinc/18/88/94/345188894.db2.gz KKWNVYIQPDYWNS-IYXRBSQSSA-N 2 0 237.391 1.012 20 0 BDADRP CC(C)[C@H](C[NH3+])CN1CCC(C)([NH3+])CC1 ZINC000634993829 345192211 /nfs/dbraw/zinc/19/22/11/345192211.db2.gz HOWVKJWYCFYFJQ-LLVKDONJSA-N 2 0 213.369 1.031 20 0 BDADRP C[C@H](O)C[C@@H]1CCCCN1CC12CC(C1)C[NH2+]2 ZINC000634994022 345192551 /nfs/dbraw/zinc/19/25/51/345192551.db2.gz OBASGQQXIXIKKU-AHPWVWPOSA-N 2 0 238.375 1.364 20 0 BDADRP N[C@H]1CCCCC[N@H+](CC[C@H]2CCOC2)C1 ZINC000634997241 345194580 /nfs/dbraw/zinc/19/45/80/345194580.db2.gz HCSCIENYFDUTFC-STQMWFEESA-N 2 0 226.364 1.616 20 0 BDADRP CC(C)[C@@H](C[NH3+])CN1CCCCC[C@@H]([NH3+])C1 ZINC000634997158 345194843 /nfs/dbraw/zinc/19/48/43/345194843.db2.gz FDAOHKQFDGLEOI-QWHCGFSZSA-N 2 0 227.396 1.421 20 0 BDADRP C([NH2+][C@@]12C[C@@H]1CCCC2)C12CC(C1)C[NH2+]2 ZINC000635001314 345197538 /nfs/dbraw/zinc/19/75/38/345197538.db2.gz OAODLIJIAKIPIT-MVKMKZAISA-N 2 0 206.333 1.661 20 0 BDADRP C[C@H]1C[N@H+](Cc2cccc3c2NCC3)C[C@H]1C[NH3+] ZINC000634999341 345198966 /nfs/dbraw/zinc/19/89/66/345198966.db2.gz SQCAAKQCKAKLPN-SMDDNHRTSA-N 2 0 245.370 1.681 20 0 BDADRP c1cc2n(n1)CCC[C@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000635002702 345204720 /nfs/dbraw/zinc/20/47/20/345204720.db2.gz XLBRNYZTXMQVNI-VXGBXAGGSA-N 2 0 234.347 1.450 20 0 BDADRP c1cc2n(n1)CCC[C@@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000635002701 345204921 /nfs/dbraw/zinc/20/49/21/345204921.db2.gz XLBRNYZTXMQVNI-RYUDHWBXSA-N 2 0 234.347 1.450 20 0 BDADRP CC(C)(F)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000635004317 345207735 /nfs/dbraw/zinc/20/77/35/345207735.db2.gz OGOBZVJUDHPJLG-UHFFFAOYSA-N 2 0 202.317 1.842 20 0 BDADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@H]2CCn3ccnc32)CC1 ZINC000635004988 345209257 /nfs/dbraw/zinc/20/92/57/345209257.db2.gz LBQGRLVEAQKSJL-SRVKXCTJSA-N 2 0 234.347 1.435 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000635006037 345209715 /nfs/dbraw/zinc/20/97/15/345209715.db2.gz XFTSEWXDMVMKTB-GMTAPVOTSA-N 2 0 202.342 1.253 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccn(C)n1 ZINC000635006833 345211304 /nfs/dbraw/zinc/21/13/04/345211304.db2.gz TXAFBOUUTMWXFC-SRVKXCTJSA-N 2 0 236.363 1.588 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000635010784 345212835 /nfs/dbraw/zinc/21/28/35/345212835.db2.gz BEFRGAMIYPRDBO-LURQLKTLSA-N 2 0 222.254 1.654 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000635012393 345214323 /nfs/dbraw/zinc/21/43/23/345214323.db2.gz MFNDZSVKSLWZRV-ZYUZMQFOSA-N 2 0 236.281 1.915 20 0 BDADRP CC1CC(Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)C1 ZINC000635007847 345215050 /nfs/dbraw/zinc/21/50/50/345215050.db2.gz GWMCCYSHVYLUOE-UHFFFAOYSA-N 2 0 246.358 1.702 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)CC1CCC1 ZINC000635014258 345219107 /nfs/dbraw/zinc/21/91/07/345219107.db2.gz ZZQZNDWQFNTYCP-DGCLKSJQSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@H](C(=O)Nc1ccc(C[NH+](C)C)cc1)[NH+](C)C ZINC000635203472 345270902 /nfs/dbraw/zinc/27/09/02/345270902.db2.gz MBYJLGXBRRENKN-LLVKDONJSA-N 2 0 249.358 1.637 20 0 BDADRP C[C@H](C[NH3+])N(C)Cc1ccc(F)c(F)c1 ZINC000158509409 345341647 /nfs/dbraw/zinc/34/16/47/345341647.db2.gz JSZIOBOGQFYBCL-MRVPVSSYSA-N 2 0 214.259 1.744 20 0 BDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H](C)[NH+](C)C ZINC000635424203 345361842 /nfs/dbraw/zinc/36/18/42/345361842.db2.gz CIYHYXJTRSXDBS-NEPJUHHUSA-N 2 0 243.395 1.029 20 0 BDADRP CCOCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158829514 345380949 /nfs/dbraw/zinc/38/09/49/345380949.db2.gz DDQLUMBYAJTCLI-OLZOCXBDSA-N 2 0 226.364 1.439 20 0 BDADRP CC[N@@H+]1CC[C@H](N(C)Cc2ccno2)[C@H](C)C1 ZINC000081095946 345465189 /nfs/dbraw/zinc/46/51/89/345465189.db2.gz IHWSDQMJMXTUNR-YPMHNXCESA-N 2 0 237.347 1.837 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCO)[C@H](C)C1 ZINC000081096920 345465290 /nfs/dbraw/zinc/46/52/90/345465290.db2.gz MBOCNAUSLMOGIJ-VXGBXAGGSA-N 2 0 214.353 1.031 20 0 BDADRP Cn1ccnc1N1CCN(C/C=C/Cl)CC1 ZINC000089926549 345566101 /nfs/dbraw/zinc/56/61/01/345566101.db2.gz KDMGYNBBBIUDDK-NSCUHMNNSA-N 2 0 240.738 1.295 20 0 BDADRP CC[NH+](CC)CCCN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000221675539 323090820 /nfs/dbraw/zinc/09/08/20/323090820.db2.gz PSPOBDYMHQGCPN-UONOGXRCSA-N 2 0 241.423 1.791 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2ccccn2)C1 ZINC000221395232 345747186 /nfs/dbraw/zinc/74/71/86/345747186.db2.gz AFVMTHVFPDHLGW-VXGBXAGGSA-N 2 0 219.332 1.689 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)CCCC[NH3+] ZINC000147294201 345711015 /nfs/dbraw/zinc/71/10/15/345711015.db2.gz CGYARGDJZFTASX-TXEJJXNPSA-N 3 0 215.385 1.611 20 0 BDADRP Cc1cc(N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)cc[nH+]1 ZINC000418991987 192091579 /nfs/dbraw/zinc/09/15/79/192091579.db2.gz FJZZYBHQENVMTH-STQMWFEESA-N 2 0 249.358 1.281 20 0 BDADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]CC(C)(C)C ZINC000150996598 537921991 /nfs/dbraw/zinc/92/19/91/537921991.db2.gz UFBHXRAMTNUDEP-LBPRGKRZSA-N 2 0 230.396 1.979 20 0 BDADRP Cc1nc(CN2C[C@@H](C)[N@@H+](C)C[C@H]2C)[nH]c1C ZINC000628240544 346202287 /nfs/dbraw/zinc/20/22/87/346202287.db2.gz JJEHKQCIBNUJSQ-NXEZZACHSA-N 2 0 236.363 1.551 20 0 BDADRP CSC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401159317 346332226 /nfs/dbraw/zinc/33/22/26/346332226.db2.gz SFLSVNRFZOQDGB-FIQHERPVSA-N 2 0 228.405 1.716 20 0 BDADRP CC[NH+](CC)CC[C@H](CO)[NH2+][C@H]1CCC[C@@H]1C ZINC000641771358 362710134 /nfs/dbraw/zinc/71/01/34/362710134.db2.gz GGDNBRYKUJATSM-MJBXVCDLSA-N 2 0 242.407 1.857 20 0 BDADRP CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H](C)[NH+](C)C ZINC000636229278 346363116 /nfs/dbraw/zinc/36/31/16/346363116.db2.gz LVXSVAKSZJJTFA-LLVKDONJSA-N 2 0 243.395 1.173 20 0 BDADRP CC[C@H](C)C[NH2+][C@H](CO)CC[NH+](CC)CC ZINC000641773666 362713059 /nfs/dbraw/zinc/71/30/59/362713059.db2.gz ZAXWPYRJICBPDS-STQMWFEESA-N 2 0 230.396 1.715 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH2+]C[C@H]2CCSC2)C1 ZINC000300231968 346420480 /nfs/dbraw/zinc/42/04/80/346420480.db2.gz JIHRHXSBPQNBBY-NWDGAFQWSA-N 2 0 228.405 1.671 20 0 BDADRP C[C@H]1CCC(C)(C)[N@@H+]1CCN1CC[NH2+]CC1 ZINC000641800233 362750558 /nfs/dbraw/zinc/75/05/58/362750558.db2.gz AAUISFHFVQCAQN-LBPRGKRZSA-N 2 0 225.380 1.155 20 0 BDADRP CC[C@H]1C[N@H+](CCc2cncn2C)CC[C@@H]1[NH3+] ZINC000641797613 362745146 /nfs/dbraw/zinc/74/51/46/362745146.db2.gz DLHCSSIWFIUFHZ-AAEUAGOBSA-N 2 0 236.363 1.022 20 0 BDADRP Cc1ncccc1C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641801480 362755510 /nfs/dbraw/zinc/75/55/10/362755510.db2.gz RBOXPXFDNMGOEH-RYUDHWBXSA-N 2 0 219.332 1.605 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000641801700 362756464 /nfs/dbraw/zinc/75/64/64/362756464.db2.gz DZAJOFAGLMLART-VXGBXAGGSA-N 3 0 225.380 1.092 20 0 BDADRP CC1(C)[C@H]([NH2+]CCCc2ccncc2)C[C@@H]1[NH3+] ZINC000641802270 362757471 /nfs/dbraw/zinc/75/74/71/362757471.db2.gz IRAUQADCRUAQMP-QWHCGFSZSA-N 2 0 233.359 1.730 20 0 BDADRP CCO[C@H](C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C)C1CC1 ZINC000641801982 362758353 /nfs/dbraw/zinc/75/83/53/362758353.db2.gz XFNALPJJFXSNPC-WOPDTQHZSA-N 2 0 226.364 1.517 20 0 BDADRP C[NH2+]CCCN1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000641809820 362765855 /nfs/dbraw/zinc/76/58/55/362765855.db2.gz SEKJFCIBEFHBRL-UTUOFQBUSA-N 2 0 213.369 1.044 20 0 BDADRP C[C@H](O)CCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000300374892 346530737 /nfs/dbraw/zinc/53/07/37/346530737.db2.gz CHNCINJCUVGBMF-DCAQKATOSA-N 2 0 200.326 1.007 20 0 BDADRP Cc1cccc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)n1 ZINC000278722874 179123641 /nfs/dbraw/zinc/12/36/41/179123641.db2.gz KHJPXSKZZZTVJA-TXEJJXNPSA-N 2 0 217.316 1.388 20 0 BDADRP CC[N@@H+]1CC[C@@H](NCC(C)(C)[NH+](C)C)[C@@H](C)C1 ZINC000345237738 365836872 /nfs/dbraw/zinc/83/68/72/365836872.db2.gz QQFMOCPIFYZJDS-QWHCGFSZSA-N 2 0 241.423 1.647 20 0 BDADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000580212297 346687243 /nfs/dbraw/zinc/68/72/43/346687243.db2.gz GEEDKHMJGGYPRK-XQHKEYJVSA-N 2 0 226.364 1.802 20 0 BDADRP Cc1cnccc1NC(=O)NCCC(C)(C)[NH3+] ZINC000641815844 362770594 /nfs/dbraw/zinc/77/05/94/362770594.db2.gz RJZCKPVESZECSK-UHFFFAOYSA-N 2 0 236.319 1.061 20 0 BDADRP FCCCCC[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000380203043 346737802 /nfs/dbraw/zinc/73/78/02/346737802.db2.gz RPSUVHGMYSMSQS-CYBMUJFWSA-N 2 0 243.370 1.106 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)C[C@H]1CCCCO1 ZINC000250000860 133644184 /nfs/dbraw/zinc/64/41/84/133644184.db2.gz RCCOLFKNZUXYTP-UONOGXRCSA-N 2 0 240.391 1.877 20 0 BDADRP CC(C)(C)[NH2+]CCN1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622004195 370654036 /nfs/dbraw/zinc/65/40/36/370654036.db2.gz LTJHXPJBJMGORF-AAEUAGOBSA-N 2 0 225.380 1.188 20 0 BDADRP Cc1ccc(O)c(CN2C[C@H]3CCC[C@@]3([NH3+])C2)n1 ZINC000622004842 370655429 /nfs/dbraw/zinc/65/54/29/370655429.db2.gz VMSCXZFBLRNVBJ-BXUZGUMPSA-N 2 0 247.342 1.409 20 0 BDADRP Cc1ccc(O)c(CN2C[C@H]3CCC[C@]3([NH3+])C2)n1 ZINC000622004844 370655733 /nfs/dbraw/zinc/65/57/33/370655733.db2.gz VMSCXZFBLRNVBJ-RISCZKNCSA-N 2 0 247.342 1.409 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc2c[nH]nc21 ZINC000580326334 347131859 /nfs/dbraw/zinc/13/18/59/347131859.db2.gz OJPBKWLOLSPTJG-UWVGGRQHSA-N 2 0 232.331 1.778 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000250353211 362800601 /nfs/dbraw/zinc/80/06/01/362800601.db2.gz RQPXJFHZZYVFAI-STQMWFEESA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c[nH]nc3c2)CC[NH2+]1 ZINC000335641646 136742109 /nfs/dbraw/zinc/74/21/09/136742109.db2.gz VFVZUTVLYLTKAD-MFKMUULPSA-N 2 0 244.342 1.793 20 0 BDADRP C[NH2+]CC1CC[NH+](C[C@@H]2CC[C@@H](C)O2)CC1 ZINC000149755263 347509882 /nfs/dbraw/zinc/50/98/82/347509882.db2.gz FYDHYOZEIXARIG-YPMHNXCESA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)O1 ZINC000149790542 347520955 /nfs/dbraw/zinc/52/09/55/347520955.db2.gz LVMUFSPIZVWESH-WHOHXGKFSA-N 2 0 212.337 1.366 20 0 BDADRP CSC[C@@H](O)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000591739513 347694598 /nfs/dbraw/zinc/69/45/98/347694598.db2.gz ABLYSPHEFSOOSE-PWSUYJOCSA-N 2 0 246.420 1.030 20 0 BDADRP CC[C@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000082496647 347664788 /nfs/dbraw/zinc/66/47/88/347664788.db2.gz ZUPMOAVWDTVPNI-LBPRGKRZSA-N 2 0 227.396 1.401 20 0 BDADRP [NH3+]C[C@H]1CCC[N@H+](CCCCCF)C1 ZINC000308454798 347668853 /nfs/dbraw/zinc/66/88/53/347668853.db2.gz DMEYSCGJFMEGSJ-LLVKDONJSA-N 2 0 202.317 1.797 20 0 BDADRP CSCC[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000591567831 347671002 /nfs/dbraw/zinc/67/10/02/347671002.db2.gz VCKVVGFDQBTGLV-DGCLKSJQSA-N 2 0 238.400 1.898 20 0 BDADRP CC[C@H]1C[N@H+](CCC(=O)OC(C)C)CC[C@H]1[NH3+] ZINC000592488984 347786998 /nfs/dbraw/zinc/78/69/98/347786998.db2.gz OOVPSCYXLQZYFI-NWDGAFQWSA-N 2 0 242.363 1.387 20 0 BDADRP CCC(CC)(C[NH2+]C[C@H]1CC[NH2+]C1)C(=O)OC ZINC000592495530 347788576 /nfs/dbraw/zinc/78/85/76/347788576.db2.gz KZWFKCMMRPQYHN-NSHDSACASA-N 2 0 242.363 1.165 20 0 BDADRP CCOC(=O)CC[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471338 347790200 /nfs/dbraw/zinc/79/02/00/347790200.db2.gz WYAPOOXGFUJASA-UHFFFAOYSA-N 2 0 240.347 1.156 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCOCC1CCC1 ZINC000577382529 365941075 /nfs/dbraw/zinc/94/10/75/365941075.db2.gz WRCIXKOWMOJINE-GHMZBOCLSA-N 2 0 214.353 1.519 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)NC1CC[NH+](CC)CC1 ZINC000038098320 348053484 /nfs/dbraw/zinc/05/34/84/348053484.db2.gz VHNDHMSVRCFYFW-ZDUSSCGKSA-N 2 0 241.379 1.104 20 0 BDADRP Cc1ccccc1[C@H]1CC[N@H+](CCOCC[NH3+])C1 ZINC000357069124 179346414 /nfs/dbraw/zinc/34/64/14/179346414.db2.gz HGLMAIYPYRZMNQ-AWEZNQCLSA-N 2 0 248.370 1.760 20 0 BDADRP CC(C)([NH3+])CC(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000375963076 187389239 /nfs/dbraw/zinc/38/92/39/187389239.db2.gz IICUPRXCYRALSA-UHFFFAOYSA-N 2 0 247.342 1.398 20 0 BDADRP Cc1cccnc1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000228363462 179375678 /nfs/dbraw/zinc/37/56/78/179375678.db2.gz YGSOIUFDHDWJGW-VXGBXAGGSA-N 2 0 219.332 1.559 20 0 BDADRP CC[C@H](C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2)OC ZINC000419288405 192117773 /nfs/dbraw/zinc/11/77/73/192117773.db2.gz PNFQDAUKDOYBKZ-ZIAGYGMSSA-N 2 0 240.391 1.829 20 0 BDADRP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@H](C)C[NH3+])c1 ZINC000336796597 187393543 /nfs/dbraw/zinc/39/35/43/187393543.db2.gz ULKBRRZXDSSPRH-GHMZBOCLSA-N 2 0 249.358 1.890 20 0 BDADRP CC[C@H](C[N@@H+]1CCC[C@H]([NH+](C)C)CC1)OC ZINC000419316541 192121243 /nfs/dbraw/zinc/12/12/43/192121243.db2.gz XAYVMLLRISSJAA-QWHCGFSZSA-N 2 0 228.380 1.828 20 0 BDADRP C[C@@H]1C[C@@H](C)[N@H+](CCc2cn[nH]c2)C[C@H]1C[NH3+] ZINC000397400547 362884742 /nfs/dbraw/zinc/88/47/42/362884742.db2.gz QVFVXOTWPKCYRB-NQBHXWOUSA-N 2 0 236.363 1.257 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](CCc2cn[nH]c2)C[C@H]1C[NH3+] ZINC000397400550 362884915 /nfs/dbraw/zinc/88/49/15/362884915.db2.gz QVFVXOTWPKCYRB-NTZNESFSSA-N 2 0 236.363 1.257 20 0 BDADRP C/C=C/C[C@H](CO)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623494910 362918196 /nfs/dbraw/zinc/91/81/96/362918196.db2.gz IUXLYTKBJLYMKI-JQSFKPKSSA-N 2 0 240.391 1.776 20 0 BDADRP CC(C)[NH+]1CCC(N[C@@H](C)CC[NH+](C)C)CC1 ZINC000049551844 187395742 /nfs/dbraw/zinc/39/57/42/187395742.db2.gz MRZNWBOVQXXLNA-ZDUSSCGKSA-N 2 0 241.423 1.789 20 0 BDADRP C[C@H]([NH3+])CCC(=O)NCC[NH+]1CCCCCC1 ZINC000070317342 349993753 /nfs/dbraw/zinc/99/37/53/349993753.db2.gz QJWWPVIVAFODDX-LBPRGKRZSA-N 2 0 241.379 1.106 20 0 BDADRP CSCC1(CC[NH2+][C@H]2CCC[C@H]2[NH3+])CC1 ZINC000596649192 348604965 /nfs/dbraw/zinc/60/49/65/348604965.db2.gz CHNZLHCMOLMUQJ-MNOVXSKESA-N 2 0 228.405 1.989 20 0 BDADRP CCSC1(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000596650069 348605290 /nfs/dbraw/zinc/60/52/90/348605290.db2.gz FREXRGDBFVYQQB-ZJUUUORDSA-N 2 0 216.394 1.988 20 0 BDADRP C[C@@H]1CSC[C@H]1[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000308799830 348642941 /nfs/dbraw/zinc/64/29/41/348642941.db2.gz ADKTYLHLXNUKQC-GRYCIOLGSA-N 2 0 228.405 1.669 20 0 BDADRP CO[C@H]1CCC[C@H]([NH2+]CCCC[NH+](C)C)C1 ZINC000069847891 490188224 /nfs/dbraw/zinc/18/82/24/490188224.db2.gz DHERUSPPARWKRP-STQMWFEESA-N 2 0 228.380 1.875 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1CCCOC1 ZINC000070013902 490197681 /nfs/dbraw/zinc/19/76/81/490197681.db2.gz BLHXSDUUCNGIBC-WDEREUQCSA-N 2 0 200.326 1.095 20 0 BDADRP C[C@@H](Cn1cccn1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000054242673 348961251 /nfs/dbraw/zinc/96/12/51/348961251.db2.gz JNVCOPNYIUQQGU-QWHCGFSZSA-N 2 0 236.363 1.203 20 0 BDADRP C[C@@H](O)CCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623510181 362935110 /nfs/dbraw/zinc/93/51/10/362935110.db2.gz KUISMFKGRPGVLN-NEPJUHHUSA-N 2 0 228.380 1.610 20 0 BDADRP CC[C@@H](COC)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000070658049 490232390 /nfs/dbraw/zinc/23/23/90/490232390.db2.gz VIAWHEIWCZACRD-AAEUAGOBSA-N 2 0 228.380 1.731 20 0 BDADRP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000388590485 349203313 /nfs/dbraw/zinc/20/33/13/349203313.db2.gz LCGBHVOVDUMNIY-MGPQQGTHSA-N 2 0 240.391 1.611 20 0 BDADRP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000388590484 349203650 /nfs/dbraw/zinc/20/36/50/349203650.db2.gz LCGBHVOVDUMNIY-MCIONIFRSA-N 2 0 240.391 1.611 20 0 BDADRP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)C[N@H+](C)CC ZINC000388592131 349204186 /nfs/dbraw/zinc/20/41/86/349204186.db2.gz MCOIMCSASINYPN-AGIUHOORSA-N 2 0 228.380 1.467 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H]2C[C@@H]2C1 ZINC000661972342 490243320 /nfs/dbraw/zinc/24/33/20/490243320.db2.gz PPNJTGPXMOTKGV-JHJVBQTASA-N 2 0 208.349 1.813 20 0 BDADRP FC1(F)CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000530230901 323219831 /nfs/dbraw/zinc/21/98/31/323219831.db2.gz DHTMNRLORDDMDE-SNVBAGLBSA-N 2 0 246.301 1.239 20 0 BDADRP CC(C)[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000309016419 349305171 /nfs/dbraw/zinc/30/51/71/349305171.db2.gz ZRWJCDYEQPNFGU-IJLUTSLNSA-N 2 0 214.353 1.253 20 0 BDADRP O=c1ccc(C[NH2+][C@H]2CCN(C3CC3)C2)c[nH]1 ZINC000392791256 350008877 /nfs/dbraw/zinc/00/88/77/350008877.db2.gz LHJMBRWGSJXPPD-NSHDSACASA-N 2 0 233.315 1.114 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+]([C@@H](C)c2cnccn2)CC1 ZINC000070480052 350015146 /nfs/dbraw/zinc/01/51/46/350015146.db2.gz ZDEIPDMDOJTVDB-QWRGUYRKSA-N 2 0 234.347 1.597 20 0 BDADRP Cc1ncsc1CN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000070837103 350067911 /nfs/dbraw/zinc/06/79/11/350067911.db2.gz DFKKZGFUPXDPTR-WCBMZHEXSA-N 2 0 225.361 1.763 20 0 BDADRP CCCN(Cc1nccn1CC)[C@H]1CC[NH2+]C1 ZINC000071332223 350101098 /nfs/dbraw/zinc/10/10/98/350101098.db2.gz XMAOOCXZINWXPH-LBPRGKRZSA-N 2 0 236.363 1.477 20 0 BDADRP CC[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)[C@@H]1CCOC1 ZINC000132161240 191026039 /nfs/dbraw/zinc/02/60/39/191026039.db2.gz VRVFJPNNSJEBIZ-CHWSQXEVSA-N 2 0 242.407 1.979 20 0 BDADRP CC[C@H](CO)[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000219377496 350123916 /nfs/dbraw/zinc/12/39/16/350123916.db2.gz QTRHBJHFRCLFQJ-YNEHKIRRSA-N 2 0 228.380 1.658 20 0 BDADRP CCN(CC)CC[NH2+][C@H](C)[C@H]1CCOC1 ZINC000132051503 191024620 /nfs/dbraw/zinc/02/46/20/191024620.db2.gz CDJYFKOJUORSLJ-NEPJUHHUSA-N 2 0 214.353 1.343 20 0 BDADRP CCOC[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000132431254 191032957 /nfs/dbraw/zinc/03/29/57/191032957.db2.gz UXYYVNBYVHVCQV-STQMWFEESA-N 2 0 228.380 1.733 20 0 BDADRP CCOCCC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422725167 192442353 /nfs/dbraw/zinc/44/23/53/192442353.db2.gz ASIOMHAJHJTEAP-NEPJUHHUSA-N 2 0 214.353 1.663 20 0 BDADRP CC(C)[N@@H+](C)C[C@@H](C)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000309193949 350167093 /nfs/dbraw/zinc/16/70/93/350167093.db2.gz CXZWEHAVMWVGAI-UPJWGTAASA-N 2 0 227.396 1.575 20 0 BDADRP COCC(C)(C)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427128214 191054406 /nfs/dbraw/zinc/05/44/06/191054406.db2.gz KACBPKBLXWCOPV-VXGBXAGGSA-N 2 0 226.364 1.343 20 0 BDADRP C(C[NH+]1CCCCCCC1)N1CC[NH2+]CC1 ZINC000037482559 191069476 /nfs/dbraw/zinc/06/94/76/191069476.db2.gz PTUCWPJJTICGOV-UHFFFAOYSA-N 2 0 225.380 1.158 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000083462351 350213989 /nfs/dbraw/zinc/21/39/89/350213989.db2.gz WTVCMKBDEWHXOA-RVMXOQNASA-N 2 0 228.380 1.466 20 0 BDADRP Cc1ncsc1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000228063746 180318762 /nfs/dbraw/zinc/31/87/62/180318762.db2.gz ZGBKOQSKFZYPSI-SCZZXKLOSA-N 2 0 225.361 1.621 20 0 BDADRP Cc1nn(C)cc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000229067722 180374289 /nfs/dbraw/zinc/37/42/89/180374289.db2.gz ZLEKLXWBQOGAES-JQWIXIFHSA-N 2 0 236.363 1.145 20 0 BDADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCCOCC2)CC1 ZINC000163159123 350508254 /nfs/dbraw/zinc/50/82/54/350508254.db2.gz KJANMHUCYZRRIP-CQSZACIVSA-N 2 0 240.391 1.877 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2COCC2(C)C)CC1(C)C ZINC000623541683 362959383 /nfs/dbraw/zinc/95/93/83/362959383.db2.gz TWFZMRDYPGWJTN-RYUDHWBXSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000384791800 350529401 /nfs/dbraw/zinc/52/94/01/350529401.db2.gz RECUXFNXVLIYCM-VPOLOUISSA-N 2 0 200.326 1.269 20 0 BDADRP C[C@H](C[NH2+][C@H]1CCO[C@@H](C)C1)C[NH+]1CCCC1 ZINC000070361849 350531213 /nfs/dbraw/zinc/53/12/13/350531213.db2.gz IDQAXAAGGKVOFZ-RDBSUJKOSA-N 2 0 240.391 1.875 20 0 BDADRP CCCC[N@H+](C)CCN[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000163494051 350523434 /nfs/dbraw/zinc/52/34/34/350523434.db2.gz BDIWSPHLWKBZKK-KGLIPLIRSA-N 2 0 241.423 1.791 20 0 BDADRP C[C@@H](C[NH2+]CC1([NH3+])CCOCC1)C(C)(C)C ZINC000162939914 365991073 /nfs/dbraw/zinc/99/10/73/365991073.db2.gz MIAYQQIRASWNKH-NSHDSACASA-N 2 0 228.380 1.766 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)CCCC[NH3+])c1 ZINC000571402365 350974768 /nfs/dbraw/zinc/97/47/68/350974768.db2.gz RAVCSXSEGQAWIY-UHFFFAOYSA-N 2 0 235.331 1.474 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@](C)(O)C2CC2)CC1 ZINC000336697691 351034715 /nfs/dbraw/zinc/03/47/15/351034715.db2.gz ZGQZYQDCHVSLGW-ZDUSSCGKSA-N 2 0 226.364 1.221 20 0 BDADRP CCN1CCC[C@@H]1C[NH2+][C@@H](C)CCC[NH3+] ZINC000336714669 351105505 /nfs/dbraw/zinc/10/55/05/351105505.db2.gz WCEHANFGLBSSDC-NWDGAFQWSA-N 2 0 213.369 1.188 20 0 BDADRP COC[C@@H](C)C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000225694796 259419070 /nfs/dbraw/zinc/41/90/70/259419070.db2.gz BYLKVGZRLDYSCQ-QWHCGFSZSA-N 2 0 228.380 1.589 20 0 BDADRP C[NH2+]Cc1ccccc1NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000637807419 351644746 /nfs/dbraw/zinc/64/47/46/351644746.db2.gz HIUJSRZNYLFASY-LBPRGKRZSA-N 2 0 245.326 1.392 20 0 BDADRP CC[C@](C)(C[NH+]1CCC([NH+](C)C)CC1)OC ZINC000637925632 351803474 /nfs/dbraw/zinc/80/34/74/351803474.db2.gz AKHSSFRDIJUTEK-CYBMUJFWSA-N 2 0 228.380 1.828 20 0 BDADRP CC(C)CC[C@@H]([NH3+])C(=O)NCC(C)(C)[NH+](C)C ZINC000638049754 351927553 /nfs/dbraw/zinc/92/75/53/351927553.db2.gz HIZWVJOIZYORDM-LLVKDONJSA-N 2 0 243.395 1.206 20 0 BDADRP O=C(CCC1C[NH2+]C1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000638259894 352104484 /nfs/dbraw/zinc/10/44/84/352104484.db2.gz ZBBJRUXMRZFFKE-UHFFFAOYSA-N 2 0 245.326 1.228 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000638360489 352171498 /nfs/dbraw/zinc/17/14/98/352171498.db2.gz SCBFLBXCPLSWIH-RYUDHWBXSA-N 2 0 246.420 1.438 20 0 BDADRP COCC[N@H+](C)CCC[NH2+]CC1(C(C)C)CC1 ZINC000638359118 352171525 /nfs/dbraw/zinc/17/15/25/352171525.db2.gz GWMJOJAOOCRZJG-UHFFFAOYSA-N 2 0 242.407 1.981 20 0 BDADRP C[C@@H]1C[C@H]1C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638363804 352173767 /nfs/dbraw/zinc/17/37/67/352173767.db2.gz YQZBQDUGAKTHEC-NEPJUHHUSA-N 2 0 240.391 1.467 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)NCCC[NH2+]C1CC1 ZINC000638374907 352187346 /nfs/dbraw/zinc/18/73/46/352187346.db2.gz RFPSEPUZBHRYJH-LBPRGKRZSA-N 2 0 241.379 1.008 20 0 BDADRP CC(C)CC[C@@H]([NH3+])C(=O)NCC[C@@H](C)[NH+](C)C ZINC000638409282 352218529 /nfs/dbraw/zinc/21/85/29/352218529.db2.gz OHSXSDFNPPWNSS-VXGBXAGGSA-N 2 0 243.395 1.206 20 0 BDADRP CCCC[C@@H](COC)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000414918319 352273599 /nfs/dbraw/zinc/27/35/99/352273599.db2.gz RZXKRAVUBFHETK-OLZOCXBDSA-N 2 0 228.380 1.923 20 0 BDADRP C[C@@H]1C[C@H](O)C[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000412037250 191247732 /nfs/dbraw/zinc/24/77/32/191247732.db2.gz NHSRSXIPWPCBBL-AGIUHOORSA-N 2 0 226.364 1.173 20 0 BDADRP CC(C)[NH+](CCN[C@@H]1C[N@H+](C)C[C@@H]1C)C(C)C ZINC000342852769 352874986 /nfs/dbraw/zinc/87/49/86/352874986.db2.gz RTHXDQYYVXHYCO-UONOGXRCSA-N 2 0 241.423 1.645 20 0 BDADRP CO[C@@](C)(C[NH2+]CC1=CC[N@H+](C)CC1)C1CC1 ZINC000638838061 353022693 /nfs/dbraw/zinc/02/26/93/353022693.db2.gz CKZJONAQAMMEEQ-AWEZNQCLSA-N 2 0 238.375 1.653 20 0 BDADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ncc[nH]1 ZINC000428213128 538107645 /nfs/dbraw/zinc/10/76/45/538107645.db2.gz QLNXVSNBQKHTQI-LLVKDONJSA-N 2 0 236.363 1.792 20 0 BDADRP CCC[C@H](C[N@@H+]1CC[C@@H]2CCN(C)C[C@@H]21)OC ZINC000638919098 353083973 /nfs/dbraw/zinc/08/39/73/353083973.db2.gz YEAALIZTHFZKCQ-MJBXVCDLSA-N 2 0 240.391 1.828 20 0 BDADRP C[C@H]([NH3+])c1ccc(C(=O)N2C[C@H]([NH3+])C[C@H]2C)cc1 ZINC000638928312 353086654 /nfs/dbraw/zinc/08/66/54/353086654.db2.gz HKICOFKIRTVUCH-GBIKHYSHSA-N 2 0 247.342 1.268 20 0 BDADRP C[C@H](O)C[C@H](C)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000398681569 353129169 /nfs/dbraw/zinc/12/91/69/353129169.db2.gz NSEZYHVSCBBCQU-YFKTTZPYSA-N 2 0 214.353 1.253 20 0 BDADRP CC(C)[N@H+](C)CCN[C@H]1CCC[C@H]1C[NH3+] ZINC000250491747 188086281 /nfs/dbraw/zinc/08/62/81/188086281.db2.gz HHPAYLYTWCEPQT-RYUDHWBXSA-N 2 0 213.369 1.044 20 0 BDADRP Cc1ncc(C[NH2+]CC2CC[NH+](C)CC2)cn1 ZINC000356900372 188066009 /nfs/dbraw/zinc/06/60/09/188066009.db2.gz YSVDMMPXFUHSGQ-UHFFFAOYSA-N 2 0 234.347 1.216 20 0 BDADRP Cc1ncc(C[NH2+]CCC2CC[NH+](C)CC2)cn1 ZINC000356893665 188066461 /nfs/dbraw/zinc/06/64/61/188066461.db2.gz LLAQKOBYMSORPI-UHFFFAOYSA-N 2 0 248.374 1.607 20 0 BDADRP CC(C)C[C@H](CNC(=O)C(C)(C)C[NH3+])[NH+](C)C ZINC000123087374 188077908 /nfs/dbraw/zinc/07/79/08/188077908.db2.gz IOLKZJVUBUKYMG-LLVKDONJSA-N 2 0 243.395 1.064 20 0 BDADRP C([NH2+]C[C@@H]1CCC[NH2+]C1)[C@H]1CCSC1 ZINC000228553605 188081062 /nfs/dbraw/zinc/08/10/62/188081062.db2.gz HMMGFFJMGPRJKK-GHMZBOCLSA-N 2 0 214.378 1.329 20 0 BDADRP CC(C)[N@@H+](C)C[C@@H](C)N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000353562961 188085207 /nfs/dbraw/zinc/08/52/07/188085207.db2.gz CVCSRHHNYLDSAL-RDBSUJKOSA-N 2 0 241.423 1.787 20 0 BDADRP Cc1cc(C)cc(C[NH2+]CCN2CC[NH2+]CC2)c1 ZINC000083377659 188141412 /nfs/dbraw/zinc/14/14/12/188141412.db2.gz OBOJUDOTMHIRNN-UHFFFAOYSA-N 2 0 247.386 1.298 20 0 BDADRP CC(C)C[C@@H](CN(C)C)[NH2+][C@@H](C)CCC[NH3+] ZINC000309463469 188168079 /nfs/dbraw/zinc/16/80/79/188168079.db2.gz SGEQREQWDMSJSA-STQMWFEESA-N 2 0 229.412 1.680 20 0 BDADRP CC(C)C[C@H](C[NH3+])NC(=O)c1ccc(C[NH3+])cc1 ZINC000262407458 188193686 /nfs/dbraw/zinc/19/36/86/188193686.db2.gz BPFYNRNVYOYOHF-CYBMUJFWSA-N 2 0 249.358 1.249 20 0 BDADRP C([C@H]1CC[N@@H+](C[C@H]2CCOC2)C1)[NH+]1CCCC1 ZINC000336722210 188183077 /nfs/dbraw/zinc/18/30/77/188183077.db2.gz ZTTVDCFPLLNWOU-ZIAGYGMSSA-N 2 0 238.375 1.441 20 0 BDADRP COc1ccc(CC[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000163174121 188184252 /nfs/dbraw/zinc/18/42/52/188184252.db2.gz UEDQHKLRBLINOO-OCCSQVGLSA-N 2 0 248.370 1.907 20 0 BDADRP CSc1ccc(CN[C@H](C)C[NH3+])cc1 ZINC000161982817 188220874 /nfs/dbraw/zinc/22/08/74/188220874.db2.gz GFLIVMNWIWWFJN-SECBINFHSA-N 2 0 210.346 1.845 20 0 BDADRP CC[N@@H+]1CCN(c2ncnc3[nH]ccc32)[C@@H](C)C1 ZINC000343266005 353278370 /nfs/dbraw/zinc/27/83/70/353278370.db2.gz PWEYGFKAMXMHBM-JTQLQIEISA-N 2 0 245.330 1.488 20 0 BDADRP CCOC(=O)C[C@@H](C)[N@H+](C)CC1CC[NH2+]CC1 ZINC000094024731 188223076 /nfs/dbraw/zinc/22/30/76/188223076.db2.gz FMZNLLUSQMOXLC-LLVKDONJSA-N 2 0 242.363 1.260 20 0 BDADRP C[C@@H]1CCC[N@H+](CCN2CC[NH2+]CC2)[C@H]1C ZINC000252213288 353299382 /nfs/dbraw/zinc/29/93/82/353299382.db2.gz WYTNEESEYFHTRX-OLZOCXBDSA-N 2 0 225.380 1.012 20 0 BDADRP C(CN1CC[N@@H+]2CCCC[C@H]2C1)[C@H]1CC[NH2+]C1 ZINC000252694234 353303864 /nfs/dbraw/zinc/30/38/64/353303864.db2.gz YTWZVWYPEHKWGM-KGLIPLIRSA-N 2 0 237.391 1.156 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCSC1 ZINC000252981657 353313831 /nfs/dbraw/zinc/31/38/31/353313831.db2.gz SDAYOXYNBIWXAI-GARJFASQSA-N 2 0 214.378 1.599 20 0 BDADRP CC[C@@H]([NH3+])C(=O)N1CC[C@H](C[NH3+])c2ccccc21 ZINC000639066943 353380877 /nfs/dbraw/zinc/38/08/77/353380877.db2.gz GKWBXSCARGTSHC-ZYHUDNBSSA-N 2 0 247.342 1.203 20 0 BDADRP CCc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)s1 ZINC000085282290 538116051 /nfs/dbraw/zinc/11/60/51/538116051.db2.gz BQKVXTPMKKVEMF-QWRGUYRKSA-N 2 0 236.384 1.962 20 0 BDADRP Fc1ccc(CC[NH2+]C2CC[NH2+]CC2)cc1 ZINC000038040500 180964760 /nfs/dbraw/zinc/96/47/60/180964760.db2.gz LZDOQBSKWYDOJI-UHFFFAOYSA-N 2 0 222.307 1.710 20 0 BDADRP CO[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CC[C@@H]1C ZINC000230312520 353486178 /nfs/dbraw/zinc/48/61/78/353486178.db2.gz ORDVUJSXEXLFQQ-YNEHKIRRSA-N 2 0 226.364 1.343 20 0 BDADRP C[N@H+](CCCn1ccnc1)[C@@H]1CCN(C2CC2)C1 ZINC000343313948 353624264 /nfs/dbraw/zinc/62/42/64/353624264.db2.gz LALAAIRTIJZEEI-CQSZACIVSA-N 2 0 248.374 1.442 20 0 BDADRP C[NH2+]C[C@@H](C)c1nc(C2([NH3+])CCCC2)no1 ZINC000577869188 366093007 /nfs/dbraw/zinc/09/30/07/366093007.db2.gz ZOHCRNTXVRTTKG-MRVPVSSYSA-N 2 0 224.308 1.121 20 0 BDADRP C1=C(C[NH2+]CCC[NH+]2CCCCC2)COCC1 ZINC000178158565 366101951 /nfs/dbraw/zinc/10/19/51/366101951.db2.gz QZWARUOGYJPTHI-UHFFFAOYSA-N 2 0 238.375 1.799 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CS[C@H](C)C1 ZINC000398012595 324215823 /nfs/dbraw/zinc/21/58/23/324215823.db2.gz ZBTHFGHEZOGDPV-MXWKQRLJSA-N 2 0 216.394 1.988 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+]C[C@]2(C)CC[NH2+]C2)O1 ZINC000398092995 324216459 /nfs/dbraw/zinc/21/64/59/324216459.db2.gz STEAIXBAGZVLQO-GRYCIOLGSA-N 2 0 212.337 1.143 20 0 BDADRP CC(C)COCC[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000232658358 353745639 /nfs/dbraw/zinc/74/56/39/353745639.db2.gz ZDKLBYJSAPFWSX-ZDUSSCGKSA-N 2 0 228.380 1.862 20 0 BDADRP Fc1cncc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000335251210 181019152 /nfs/dbraw/zinc/01/91/52/181019152.db2.gz BITCFTZYJMATLU-BETUJISGSA-N 2 0 249.333 1.652 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000343413393 353879502 /nfs/dbraw/zinc/87/95/02/353879502.db2.gz IGILVHCTMPJNKS-TUAOUCFPSA-N 2 0 241.379 1.008 20 0 BDADRP CCN1C[C@H]([NH2+]C[C@H](C)N(C)C2CC2)[C@@H](C)C1 ZINC000344221560 354181775 /nfs/dbraw/zinc/18/17/75/354181775.db2.gz MTMCXZPOIDNAAN-OBJOEFQTSA-N 2 0 239.407 1.399 20 0 BDADRP C[NH2+]C[C@@H](C)CNC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000422832041 192482983 /nfs/dbraw/zinc/48/29/83/192482983.db2.gz UIVIGMHZXONVMQ-GHMZBOCLSA-N 2 0 249.358 1.292 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2CC(F)(F)C2)C1 ZINC000577963760 366148237 /nfs/dbraw/zinc/14/82/37/366148237.db2.gz MZEQJUZZKBTGNR-HTQZYQBOSA-N 2 0 204.264 1.644 20 0 BDADRP CC[C@@](C)(C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1)OC ZINC000639204158 354620794 /nfs/dbraw/zinc/62/07/94/354620794.db2.gz PKGMTXJOGBVMSN-KBPBESRZSA-N 2 0 240.391 1.829 20 0 BDADRP CN(C)c1ncc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)n1C ZINC000335109818 354695643 /nfs/dbraw/zinc/69/56/43/354695643.db2.gz JBJGJIBJTRHNEE-AAEUAGOBSA-N 2 0 248.374 1.861 20 0 BDADRP CSC1(C[NH2+]CCC[NH+](C)C)CCC1 ZINC000235108949 363437637 /nfs/dbraw/zinc/43/76/37/363437637.db2.gz ISNLDXOJNSTOPD-UHFFFAOYSA-N 2 0 216.394 1.813 20 0 BDADRP CC[C@@H]([NH2+]CC[C@H]1CCCOC1)[C@@H]1CCC[NH2+]1 ZINC000530208670 324525750 /nfs/dbraw/zinc/52/57/50/324525750.db2.gz GOZABVWXQBSAHG-MCIONIFRSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]1[C@H](CO)CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000335173351 354939703 /nfs/dbraw/zinc/93/97/03/354939703.db2.gz NEDRUEFXJPYXRZ-YPMHNXCESA-N 2 0 226.364 1.079 20 0 BDADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccccc1N(C)C ZINC000346693069 355076158 /nfs/dbraw/zinc/07/61/58/355076158.db2.gz KQZLTPWNUXXVQV-QWHCGFSZSA-N 2 0 247.386 1.922 20 0 BDADRP CC[C@@H]1C[C@H](C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)CCO1 ZINC000346695202 355077092 /nfs/dbraw/zinc/07/70/92/355077092.db2.gz YVIYEVUPGKGQCI-REWJHTLYSA-N 2 0 240.391 1.861 20 0 BDADRP C[NH+](C)C1(CNC(=O)CC[NH3+])CCCCCC1 ZINC000347610890 355234852 /nfs/dbraw/zinc/23/48/52/355234852.db2.gz JJNZZZHZCBIJGL-UHFFFAOYSA-N 2 0 241.379 1.106 20 0 BDADRP CCN1CC[C@H]([NH2+][C@@H](C)Cc2cnccn2)C1 ZINC000639266024 355324564 /nfs/dbraw/zinc/32/45/64/355324564.db2.gz IBSBSDXQBLENMJ-RYUDHWBXSA-N 2 0 234.347 1.091 20 0 BDADRP C1C[NH2+][C@H]([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCCOC2)C1 ZINC000093453300 355367578 /nfs/dbraw/zinc/36/75/78/355367578.db2.gz VLLHPIXBQIXUPB-RFGFWPKPSA-N 2 0 238.375 1.676 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCN(C)CC[C@@H]2C)CC[NH2+]1 ZINC000414693257 191547743 /nfs/dbraw/zinc/54/77/43/191547743.db2.gz MKAIWLDIYXCABY-RDBSUJKOSA-N 2 0 239.407 1.401 20 0 BDADRP c1ccc([C@@H]2C[C@@H](N[C@H]3CC[NH2+]C3)CC[NH2+]2)cc1 ZINC000414866389 191607145 /nfs/dbraw/zinc/60/71/45/191607145.db2.gz FCHCIFNJKAQSEM-KKUMJFAQSA-N 2 0 245.370 1.431 20 0 BDADRP Nc1ncc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])s1 ZINC000414810667 191578211 /nfs/dbraw/zinc/57/82/11/191578211.db2.gz VNBLQAXBNVSJET-WPRPVWTQSA-N 2 0 240.376 1.163 20 0 BDADRP C[NH2+]CCCNC1CC[NH+](C(C)(C)C)CC1 ZINC000414859020 191603298 /nfs/dbraw/zinc/60/32/98/191603298.db2.gz LUNQNHOQHFKZNU-UHFFFAOYSA-N 2 0 227.396 1.448 20 0 BDADRP CC[C@H](COC)[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415032633 191657504 /nfs/dbraw/zinc/65/75/04/191657504.db2.gz IATWPHJYPPJGLC-GMTAPVOTSA-N 2 0 200.326 1.128 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415012808 191650287 /nfs/dbraw/zinc/65/02/87/191650287.db2.gz XMWLKSSOHSSUQV-RQJABVFESA-N 3 0 239.407 1.624 20 0 BDADRP CCCC[C@H](CC)[NH2+]CCN1CC[NH2+]CC1 ZINC000414873593 191609449 /nfs/dbraw/zinc/60/94/49/191609449.db2.gz YDXKNTHWXQPUIS-ZDUSSCGKSA-N 2 0 227.396 1.450 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@H](CF)C2)CC[NH2+]1 ZINC000415120674 191683053 /nfs/dbraw/zinc/68/30/53/191683053.db2.gz JAUOZOPUVYZGPF-GRYCIOLGSA-N 2 0 230.327 1.045 20 0 BDADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(O)c2)C1 ZINC000415034641 191658872 /nfs/dbraw/zinc/65/88/72/191658872.db2.gz KCCNDHSATRXPGE-ZYHUDNBSSA-N 2 0 220.316 1.609 20 0 BDADRP CC[C@@H]1CCC[C@@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C1 ZINC000415044565 191661505 /nfs/dbraw/zinc/66/15/05/191661505.db2.gz SCWCJECUFCABIB-MGPQQGTHSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+][C@@H](CN)C2CCCC2)CC[NH2+]1 ZINC000415065005 191667442 /nfs/dbraw/zinc/66/74/42/191667442.db2.gz LYRGFRDPPDKPFL-DYEKYZERSA-N 2 0 239.407 1.482 20 0 BDADRP CC(C)[NH2+]CCC[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000582175471 355577800 /nfs/dbraw/zinc/57/78/00/355577800.db2.gz QYIMYGCQNKDNBQ-OLZOCXBDSA-N 2 0 228.380 1.779 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CS1 ZINC000639308148 355663118 /nfs/dbraw/zinc/66/31/18/355663118.db2.gz BZGJUTKEXUPXEE-NNYUYHANSA-N 2 0 228.405 1.810 20 0 BDADRP CN1CC(C[N@H+](C)CCC[C@@H]2CCO2)C1 ZINC000639309375 355665253 /nfs/dbraw/zinc/66/52/53/355665253.db2.gz NQENEXCKCIEFMF-GFCCVEGCSA-N 2 0 212.337 1.049 20 0 BDADRP CN1CC(C[N@H+](C)CCC[C@H]2CCO2)C1 ZINC000639309376 355665394 /nfs/dbraw/zinc/66/53/94/355665394.db2.gz NQENEXCKCIEFMF-LBPRGKRZSA-N 2 0 212.337 1.049 20 0 BDADRP CCCN1CC[C@@H]([NH2+]CC2CC(OCC)C2)C1 ZINC000639331003 355745427 /nfs/dbraw/zinc/74/54/27/355745427.db2.gz SCGAEDDMJGGAAX-ROKHWSDSSA-N 2 0 240.391 1.875 20 0 BDADRP COc1cccc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000216035520 355798901 /nfs/dbraw/zinc/79/89/01/355798901.db2.gz SQDDZDPJYZROHE-AAEUAGOBSA-N 2 0 234.343 1.864 20 0 BDADRP C[N@@H+]1CC[C@H](NCc2ncc[nH]2)CC1(C)C ZINC000639369019 355854143 /nfs/dbraw/zinc/85/41/43/355854143.db2.gz ZKRQGZGCNMLNME-JTQLQIEISA-N 2 0 222.336 1.372 20 0 BDADRP CC(C)(O)CC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000261538813 535292429 /nfs/dbraw/zinc/29/24/29/535292429.db2.gz ZKRPKVJKXJTCPT-GHMZBOCLSA-N 2 0 214.353 1.255 20 0 BDADRP [NH3+]CCN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000034248904 355885633 /nfs/dbraw/zinc/88/56/33/355885633.db2.gz ANKADJMMYCKCMP-CQSZACIVSA-N 2 0 239.407 1.533 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCSCCCO ZINC000167392665 355986834 /nfs/dbraw/zinc/98/68/34/355986834.db2.gz JINLJPYSDZXLFT-NEPJUHHUSA-N 2 0 246.420 1.032 20 0 BDADRP CCC[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000167322874 355991507 /nfs/dbraw/zinc/99/15/07/355991507.db2.gz LHQXKQGUUUQKFD-RYUDHWBXSA-N 2 0 241.379 1.104 20 0 BDADRP Cc1cnc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)o1 ZINC000351494590 356001371 /nfs/dbraw/zinc/00/13/71/356001371.db2.gz OIZUOPPDUYVGTK-HBNTYKKESA-N 2 0 221.304 1.152 20 0 BDADRP Cc1cnc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)o1 ZINC000351494589 356001876 /nfs/dbraw/zinc/00/18/76/356001876.db2.gz OIZUOPPDUYVGTK-GARJFASQSA-N 2 0 221.304 1.152 20 0 BDADRP CC(C)n1ccnc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351496330 356002427 /nfs/dbraw/zinc/00/24/27/356002427.db2.gz RBIRTZAKHPHQNS-YNEHKIRRSA-N 2 0 248.374 1.633 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@H]1CCCC12CC2 ZINC000583641984 355948050 /nfs/dbraw/zinc/94/80/50/355948050.db2.gz KUIVYTJVNSAZAE-ZDUSSCGKSA-N 2 0 240.391 1.877 20 0 BDADRP CC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@H](C)O ZINC000582221751 355965660 /nfs/dbraw/zinc/96/56/60/355965660.db2.gz DZXHXNKNZFBGRT-FZMZJTMJSA-N 2 0 240.391 1.610 20 0 BDADRP Cc1nccc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000351657979 356046821 /nfs/dbraw/zinc/04/68/21/356046821.db2.gz FRFCZHIGMJBPBJ-FZMZJTMJSA-N 2 0 248.374 1.700 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000666444459 491088512 /nfs/dbraw/zinc/08/85/12/491088512.db2.gz GIOJZEOZHRVNET-BBBLOLIVSA-N 2 0 220.307 1.960 20 0 BDADRP CCCC[N@H+](CCO)CC[C@@H]1CCC[NH2+]C1 ZINC000420296424 192204181 /nfs/dbraw/zinc/20/41/81/192204181.db2.gz BXFKMPYVRZOQQK-ZDUSSCGKSA-N 2 0 228.380 1.471 20 0 BDADRP CCCC[N@H+](CCO)CC[C@H]1CCC[NH2+]C1 ZINC000420296423 192205114 /nfs/dbraw/zinc/20/51/14/192205114.db2.gz BXFKMPYVRZOQQK-CYBMUJFWSA-N 2 0 228.380 1.471 20 0 BDADRP CC[N@H+](CC[C@@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]CC1 ZINC000420302708 192206189 /nfs/dbraw/zinc/20/61/89/192206189.db2.gz BVRJOYYUDDIPPR-KBPBESRZSA-N 3 0 239.407 1.450 20 0 BDADRP c1cc(CCC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)ccn1 ZINC000420318561 192196179 /nfs/dbraw/zinc/19/61/79/192196179.db2.gz QHHHXJYWMQORIA-HUUCEWRRSA-N 2 0 245.370 1.698 20 0 BDADRP CCOC(=O)CCCC[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000420299776 192206973 /nfs/dbraw/zinc/20/69/73/192206973.db2.gz UKFXFTNPMFTOQU-LLVKDONJSA-N 2 0 228.336 1.000 20 0 BDADRP C[NH2+]CC1CC[NH+](CCCc2ccncc2)CC1 ZINC000420285814 192199454 /nfs/dbraw/zinc/19/94/54/192199454.db2.gz DYNAELIMTREVEI-UHFFFAOYSA-N 2 0 247.386 1.946 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cc[nH]c(=O)c2)C1 ZINC000639490309 356307913 /nfs/dbraw/zinc/30/79/13/356307913.db2.gz WOBPZHWSGYPUFD-LBPRGKRZSA-N 2 0 235.331 1.171 20 0 BDADRP Nc1cc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)ccn1 ZINC000420315990 192213200 /nfs/dbraw/zinc/21/32/00/192213200.db2.gz SLOSGRWSZBTSPN-NSHDSACASA-N 2 0 234.347 1.055 20 0 BDADRP CCOC(=O)CC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000420317958 192213715 /nfs/dbraw/zinc/21/37/15/192213715.db2.gz ZZDHUWMGEOFRLI-UHFFFAOYSA-N 2 0 240.347 1.015 20 0 BDADRP c1cnn(CC[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420330528 192213985 /nfs/dbraw/zinc/21/39/85/192213985.db2.gz QBBQNJDCZUUZEA-KGLIPLIRSA-N 2 0 248.374 1.205 20 0 BDADRP C(CN1CC[C@H]2[NH2+]CC[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000420345535 192216621 /nfs/dbraw/zinc/21/66/21/192216621.db2.gz VQNZFNSYLOFEOY-BFHYXJOUSA-N 2 0 237.391 1.060 20 0 BDADRP CCOC(=O)CC[N@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000420306461 192208764 /nfs/dbraw/zinc/20/87/64/192208764.db2.gz HNJPAEPLQDALHW-LBPRGKRZSA-N 2 0 242.363 1.404 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@@](C)(C[NH3+])C1 ZINC000420306262 192208846 /nfs/dbraw/zinc/20/88/46/192208846.db2.gz AJQHEVKGKOEEHR-ZDUSSCGKSA-N 2 0 227.396 1.389 20 0 BDADRP CC(C)C[C@@H]1COCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420305237 192209394 /nfs/dbraw/zinc/20/93/94/192209394.db2.gz PEPSHRYMUBDABT-UONOGXRCSA-N 2 0 240.391 1.733 20 0 BDADRP [NH3+]CCN(CC[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000420304016 192209715 /nfs/dbraw/zinc/20/97/15/192209715.db2.gz IHVZZSHFMAYEBT-AWEZNQCLSA-N 2 0 247.386 1.447 20 0 BDADRP CCC[C@@H]1CNCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420310885 192210392 /nfs/dbraw/zinc/21/03/92/192210392.db2.gz QHBGVFNJNWOBJL-QWHCGFSZSA-N 2 0 225.380 1.060 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H](CN)C1CC1 ZINC000420312867 192210463 /nfs/dbraw/zinc/21/04/63/192210463.db2.gz IUWDNXLDHXPAAH-AAEUAGOBSA-N 2 0 225.380 1.045 20 0 BDADRP CC[NH+](CC)CCCN(C)[C@H]1CCC[NH2+]CC1 ZINC000420308062 192210810 /nfs/dbraw/zinc/21/08/10/192210810.db2.gz JTDCLMXMXXPFEN-AWEZNQCLSA-N 2 0 241.423 1.792 20 0 BDADRP c1cc(CCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000420309735 192211211 /nfs/dbraw/zinc/21/12/11/192211211.db2.gz FILSPTNKWCLTRK-CABCVRRESA-N 2 0 245.370 1.556 20 0 BDADRP CCOC(=O)CCCC[NH2+]CC1([NH3+])CCC1 ZINC000420317932 192212884 /nfs/dbraw/zinc/21/28/84/192212884.db2.gz ZYLSFNNDBVFSHK-UHFFFAOYSA-N 2 0 228.336 1.191 20 0 BDADRP CC[NH+](CC)CCCN(C)C1CC([NH3+])C1 ZINC000420323214 192226721 /nfs/dbraw/zinc/22/67/21/192226721.db2.gz BCITYGVWNVVTNI-UHFFFAOYSA-N 2 0 213.369 1.140 20 0 BDADRP Cc1ccc(CC[N@@H+](C)C2CC([NH3+])C2)cc1 ZINC000420326912 192228971 /nfs/dbraw/zinc/22/89/71/192228971.db2.gz FKFLSJFSIDITMB-UHFFFAOYSA-N 2 0 218.344 1.959 20 0 BDADRP CCCCC[N@H+](CCO)CC[C@H]1CC[NH2+]C1 ZINC000420325732 192229910 /nfs/dbraw/zinc/22/99/10/192229910.db2.gz WTCJKOXFYSQZII-CYBMUJFWSA-N 2 0 228.380 1.471 20 0 BDADRP CC[NH+](CC)CCCN1C[C@H](C[NH3+])C[C@H]1C ZINC000420324259 192230522 /nfs/dbraw/zinc/23/05/22/192230522.db2.gz UWAVRTFWRIBUHO-OLZOCXBDSA-N 2 0 227.396 1.387 20 0 BDADRP C[NH2+]CCC[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000420358534 192220112 /nfs/dbraw/zinc/22/01/12/192220112.db2.gz JJQRKPYYCKAIKD-ZDUSSCGKSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)[C@H](C)CN1C ZINC000420355360 192220640 /nfs/dbraw/zinc/22/06/40/192220640.db2.gz FJKTUBMIPYNYQN-MGPQQGTHSA-N 2 0 239.407 1.401 20 0 BDADRP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C[C@H](C)[NH3+])CC2 ZINC000420361634 192222853 /nfs/dbraw/zinc/22/28/53/192222853.db2.gz NNLPOXNBEMWPNA-XQQFMLRXSA-N 2 0 225.380 1.281 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCc2cccc(OC)c2CC1 ZINC000420364029 192223631 /nfs/dbraw/zinc/22/36/31/192223631.db2.gz QJXBRJABCJOMBR-UHFFFAOYSA-N 2 0 248.370 1.705 20 0 BDADRP COC(=O)[C@H]1CCCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420364950 192224099 /nfs/dbraw/zinc/22/40/99/192224099.db2.gz RONFDQMDERJCCA-NWDGAFQWSA-N 2 0 240.347 1.014 20 0 BDADRP CC[N@@H+]1C[C@@H](C)N(CCC[NH2+]C)C[C@@H]1C ZINC000420365690 192224149 /nfs/dbraw/zinc/22/41/49/192224149.db2.gz SOXMXINFNNPTTE-NWDGAFQWSA-N 2 0 213.369 1.010 20 0 BDADRP C[C@@H]1CCN[C@H](C)[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000420365357 192224338 /nfs/dbraw/zinc/22/43/38/192224338.db2.gz LAUGORMZBJQBEE-YRGRVCCFSA-N 2 0 239.407 1.352 20 0 BDADRP CCSCC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420383232 192235653 /nfs/dbraw/zinc/23/56/53/192235653.db2.gz SOJFZJJEJWDCFH-LBPRGKRZSA-N 2 0 228.405 1.815 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H](C)[C@@H]1COc2ccccc21 ZINC000420394067 192236131 /nfs/dbraw/zinc/23/61/31/192236131.db2.gz CLQOBIGJNOBRGW-AAEUAGOBSA-N 2 0 234.343 1.750 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cncc(F)c1 ZINC000420395569 192236545 /nfs/dbraw/zinc/23/65/45/192236545.db2.gz DNHDBNUSQCZZTP-WDEREUQCSA-N 2 0 237.322 1.871 20 0 BDADRP C[C@@H]([NH2+]CCOCC[NH3+])C1CCCC1 ZINC000420396508 192236691 /nfs/dbraw/zinc/23/66/91/192236691.db2.gz FJTYAAROYUCDLQ-SNVBAGLBSA-N 2 0 200.326 1.130 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000420404231 192238223 /nfs/dbraw/zinc/23/82/23/192238223.db2.gz LZGZEKAHQHMDRV-CABCVRRESA-N 2 0 248.370 1.963 20 0 BDADRP CC(C)OCC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420404462 192238712 /nfs/dbraw/zinc/23/87/12/192238712.db2.gz SFFRMXBPRWNUMN-ZIAGYGMSSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]1CC[N@H+](CCC2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000420405392 192238870 /nfs/dbraw/zinc/23/88/70/192238870.db2.gz MTHYODRXRPYFTF-GXTWGEPZSA-N 3 0 239.407 1.293 20 0 BDADRP C[C@@H]1CC[N@H+](CCOCC2CC2)C[C@@H]1C[NH3+] ZINC000420410745 192239221 /nfs/dbraw/zinc/23/92/21/192239221.db2.gz RHVMHCVFDWVIBM-YPMHNXCESA-N 2 0 226.364 1.330 20 0 BDADRP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]C[C@@H](C)[NH3+] ZINC000420411531 192239884 /nfs/dbraw/zinc/23/98/84/192239884.db2.gz RTOPUFWRLFNPGC-WOPDTQHZSA-N 2 0 214.353 1.517 20 0 BDADRP CC(C)C[C@H]1OCCC[C@@H]1[NH2+]CCOCC[NH3+] ZINC000420416227 192240918 /nfs/dbraw/zinc/24/09/18/192240918.db2.gz VLVYOQJCAKIPQH-QWHCGFSZSA-N 2 0 244.379 1.145 20 0 BDADRP CC(C)C[C@@H]1OCCC[C@H]1[NH2+]CCC[NH3+] ZINC000420414065 192241250 /nfs/dbraw/zinc/24/12/50/192241250.db2.gz UGBSTMRXPVBDGZ-NEPJUHHUSA-N 2 0 214.353 1.519 20 0 BDADRP CC[C@@H]1CCC[C@@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000420422417 192241851 /nfs/dbraw/zinc/24/18/51/192241851.db2.gz ZLBDOFOIWONEIQ-OLZOCXBDSA-N 2 0 225.380 1.060 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCOCC2(CCC2)C1 ZINC000420375073 192232503 /nfs/dbraw/zinc/23/25/03/192232503.db2.gz OYPCXZLSMFGULT-UHFFFAOYSA-N 2 0 212.337 1.098 20 0 BDADRP C[NH+](C)[C@@H]1CCC[N@H+](CC(C)(C)O)CC1 ZINC000336165885 134113097 /nfs/dbraw/zinc/11/30/97/134113097.db2.gz GBNINPURPRCWPU-LLVKDONJSA-N 2 0 214.353 1.173 20 0 BDADRP COCC1(CC[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000578132659 366287339 /nfs/dbraw/zinc/28/73/39/366287339.db2.gz QMGYHQBBHTZSEA-QWHCGFSZSA-N 2 0 240.391 1.923 20 0 BDADRP COC[C@H](C)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682642 356593445 /nfs/dbraw/zinc/59/34/45/356593445.db2.gz GNUBABXMHGSCHV-ZDUSSCGKSA-N 2 0 249.358 1.629 20 0 BDADRP COC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])C1CC1 ZINC000422937543 192511157 /nfs/dbraw/zinc/51/11/57/192511157.db2.gz OFHOFLWDWSTUIJ-NGZCFLSTSA-N 2 0 200.326 1.127 20 0 BDADRP CO[C@@H]1CC[N@H+](CCc2cncn2C)C[C@@H]1C ZINC000639663567 356577445 /nfs/dbraw/zinc/57/74/45/356577445.db2.gz PRAIOJIRXZRCNN-WCQYABFASA-N 2 0 237.347 1.319 20 0 BDADRP CCC(O)(CC)C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422977265 192515360 /nfs/dbraw/zinc/51/53/60/192515360.db2.gz WNPJEYYENANQAN-ZJUUUORDSA-N 2 0 202.342 1.253 20 0 BDADRP CCC(CC)(CO)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000423001277 192524599 /nfs/dbraw/zinc/52/45/99/192524599.db2.gz HQGOXCROKLDDLF-UHFFFAOYSA-N 2 0 242.407 1.892 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@H]2CCO[C@@H]2C2CC2)CC1 ZINC000423014023 192540292 /nfs/dbraw/zinc/54/02/92/192540292.db2.gz NVSFWVSFJITLIU-AKUTZHFWSA-N 2 0 238.375 1.661 20 0 BDADRP C(C1CCCCC1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000088287862 356655555 /nfs/dbraw/zinc/65/55/55/356655555.db2.gz CKKJXRJZHJWMFU-STQMWFEESA-N 2 0 208.349 1.718 20 0 BDADRP C[NH+]1CCC2(CC[N@H+](Cc3cc[nH]n3)C2)CC1 ZINC000639754600 356656256 /nfs/dbraw/zinc/65/62/56/356656256.db2.gz CYYJKFGURZMJTH-UHFFFAOYSA-N 2 0 234.347 1.327 20 0 BDADRP COCC1(CC[NH2+][C@H]2CCC[C@H]2[NH3+])CC1 ZINC000582241702 356671973 /nfs/dbraw/zinc/67/19/73/356671973.db2.gz GGPULAIPTWBQRL-MNOVXSKESA-N 2 0 212.337 1.273 20 0 BDADRP CN(C)C[C@]1(O)CCC[N@H+](CC2CCC2)C1 ZINC000639760821 356675685 /nfs/dbraw/zinc/67/56/85/356675685.db2.gz AYRVQWDKDGLYPS-CYBMUJFWSA-N 2 0 226.364 1.175 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000423138211 192582531 /nfs/dbraw/zinc/58/25/31/192582531.db2.gz SLUNKTJPVQULQG-NXEZZACHSA-N 2 0 223.320 1.565 20 0 BDADRP CCN1C[C@H](C)[C@H]([NH2+]C[C@H]2CCOC[C@@H]2C)C1 ZINC000353041991 134159633 /nfs/dbraw/zinc/15/96/33/134159633.db2.gz ZHHVFDKSYXMYSU-IGQOVBAYSA-N 2 0 240.391 1.589 20 0 BDADRP [NH3+]CC1CCC([NH2+]C[C@H](CO)C2CC2)CC1 ZINC000423143566 192586294 /nfs/dbraw/zinc/58/62/94/192586294.db2.gz XIIIYTYSSVXIKW-YXMLORGKSA-N 2 0 226.364 1.112 20 0 BDADRP C[N@H+](CCOCC[NH3+])Cc1ccccc1 ZINC000032012084 356697055 /nfs/dbraw/zinc/69/70/55/356697055.db2.gz LEKVOQHFGBZXLN-UHFFFAOYSA-N 2 0 208.305 1.094 20 0 BDADRP COC[C@@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130249089 325030256 /nfs/dbraw/zinc/03/02/56/325030256.db2.gz PRJKEOUJVZLPTB-GRYCIOLGSA-N 2 0 212.337 1.238 20 0 BDADRP Cc1nccn1CC[N@@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639777069 356720869 /nfs/dbraw/zinc/72/08/69/356720869.db2.gz IHIGOZNEBYIQNN-CYBMUJFWSA-N 2 0 245.330 1.752 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@@H]2CCOC[C@@H]2C)CC1 ZINC000353987223 356727766 /nfs/dbraw/zinc/72/77/66/356727766.db2.gz ODKGYFREGISMJZ-STQMWFEESA-N 2 0 240.391 1.733 20 0 BDADRP CCC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000450431567 202166920 /nfs/dbraw/zinc/16/69/20/202166920.db2.gz ZZIFKBORNBKRET-ZIAGYGMSSA-N 2 0 240.391 1.565 20 0 BDADRP CCC(O)(CC)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623384636 356910310 /nfs/dbraw/zinc/91/03/10/356910310.db2.gz AQXLMMJFHSADQB-LBPRGKRZSA-N 2 0 242.407 2.000 20 0 BDADRP C[NH+]1CCC(NCCC[NH+]2CCCC2)CC1 ZINC000020128936 356998223 /nfs/dbraw/zinc/99/82/23/356998223.db2.gz GILSAHTTZDDFHJ-UHFFFAOYSA-N 2 0 225.380 1.156 20 0 BDADRP COCC[C@@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623392674 356985606 /nfs/dbraw/zinc/98/56/06/356985606.db2.gz MBSGZIKGXHNCSV-NEPJUHHUSA-N 2 0 228.380 1.874 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423260843 192655827 /nfs/dbraw/zinc/65/58/27/192655827.db2.gz QXKGAHGLEYXNHJ-IJLUTSLNSA-N 2 0 214.353 1.389 20 0 BDADRP C[C@@H](O)[C@@H](C)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000582415380 357140527 /nfs/dbraw/zinc/14/05/27/357140527.db2.gz QYLQADXWPTUIMS-VXGBXAGGSA-N 2 0 236.359 1.607 20 0 BDADRP OC1(C[NH2+][C@@H]2CCN3CCCC[C@@H]23)CCC1 ZINC000131117196 325118219 /nfs/dbraw/zinc/11/82/19/325118219.db2.gz HCFYXYCCDMJBNF-NEPJUHHUSA-N 2 0 224.348 1.118 20 0 BDADRP CC(C)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000374420305 357160278 /nfs/dbraw/zinc/16/02/78/357160278.db2.gz LECCIDXFUONFQU-MELADBBJSA-N 2 0 240.391 1.826 20 0 BDADRP CC(C)SCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000393658394 357291410 /nfs/dbraw/zinc/29/14/10/357291410.db2.gz OMGOIGOJLQGXFW-QWRGUYRKSA-N 2 0 216.394 1.988 20 0 BDADRP FCCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000393929451 357320343 /nfs/dbraw/zinc/32/03/43/357320343.db2.gz GXNRKRFCLSTZBM-UHFFFAOYSA-N 2 0 237.322 2.000 20 0 BDADRP CC(C)O[C@@H]1C[C@H]([NH2+]CC(C)(C)[NH3+])C1(C)C ZINC000423287789 192680834 /nfs/dbraw/zinc/68/08/34/192680834.db2.gz OOMBPVNZSCXLPL-WDEREUQCSA-N 2 0 228.380 1.905 20 0 BDADRP CO[C@](C)(C[NH2+]Cc1cnc(C)n1C)C1CC1 ZINC000582616234 357354121 /nfs/dbraw/zinc/35/41/21/357354121.db2.gz FPFYUDVVCIFKGI-CYBMUJFWSA-N 2 0 237.347 1.633 20 0 BDADRP C[C@H]([NH3+])c1ccc(CN[C@@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000423290918 192682954 /nfs/dbraw/zinc/68/29/54/192682954.db2.gz FYBOAPPQUHXYCF-SLEUVZQESA-N 2 0 247.386 1.794 20 0 BDADRP CC(C)[NH2+]CCC[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000582899099 357425014 /nfs/dbraw/zinc/42/50/14/357425014.db2.gz WNQUYIOUYPUUAU-VXGBXAGGSA-N 2 0 214.353 1.532 20 0 BDADRP C(C[C@@H]1CCOC1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000230393028 357532884 /nfs/dbraw/zinc/53/28/84/357532884.db2.gz OTAHEXMYSBKCOO-MGPQQGTHSA-N 2 0 238.375 1.629 20 0 BDADRP C(C[C@H]1CCOC1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000230393031 357533513 /nfs/dbraw/zinc/53/35/13/357533513.db2.gz OTAHEXMYSBKCOO-BFHYXJOUSA-N 2 0 238.375 1.629 20 0 BDADRP CC(C)(C)[C@H](CCO)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000231073465 357597227 /nfs/dbraw/zinc/59/72/27/357597227.db2.gz BYXLUQJZZAWCBR-RYUDHWBXSA-N 2 0 228.380 1.515 20 0 BDADRP CC(C)(C)[C@@H](CCO)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000231073463 357597535 /nfs/dbraw/zinc/59/75/35/357597535.db2.gz BYXLUQJZZAWCBR-NWDGAFQWSA-N 2 0 228.380 1.515 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CCOCC[NH+](C)C)C[C@@H]1C ZINC000231676526 357620019 /nfs/dbraw/zinc/62/00/19/357620019.db2.gz COVYQVZPPVGPAQ-RDBSUJKOSA-N 2 0 242.407 1.979 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@]1(C)CO ZINC000545396718 325219701 /nfs/dbraw/zinc/21/97/01/325219701.db2.gz WJBABESBGYWOPY-STQMWFEESA-N 2 0 226.364 1.318 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000631667459 357697809 /nfs/dbraw/zinc/69/78/09/357697809.db2.gz PLDAADQHEKPFJN-TZMCWYRMSA-N 2 0 242.407 1.857 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@]1(C)CCCS1 ZINC000234728930 357820692 /nfs/dbraw/zinc/82/06/92/357820692.db2.gz TYBKYOOBSRDZAW-NEPJUHHUSA-N 2 0 246.420 1.616 20 0 BDADRP Cc1c[nH+]ccc1N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000192576729 357844376 /nfs/dbraw/zinc/84/43/76/357844376.db2.gz VAJOPNXPFXZRJP-ZDUSSCGKSA-N 2 0 248.374 1.438 20 0 BDADRP COCCC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860722 325317956 /nfs/dbraw/zinc/31/79/56/325317956.db2.gz PYYDPHGTLVJSLT-ZDUSSCGKSA-N 2 0 228.380 1.829 20 0 BDADRP C[C@@H](C[NH2+]C1CCC([NH3+])CC1)N(C)C1CC1 ZINC000217625308 134249525 /nfs/dbraw/zinc/24/95/25/134249525.db2.gz TZSQERLYJSIQCE-UNXYVOJBSA-N 2 0 225.380 1.329 20 0 BDADRP CN1CCC[C@H]1C[N@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000220956325 358063391 /nfs/dbraw/zinc/06/33/91/358063391.db2.gz AHTJBQPOLWHESW-OLZOCXBDSA-N 2 0 225.380 1.012 20 0 BDADRP CCC1([NH+](C)C)CC[NH+](C[C@H](O)C(C)C)CC1 ZINC000640016161 358068640 /nfs/dbraw/zinc/06/86/40/358068640.db2.gz UXSQVALJWKJIPG-ZDUSSCGKSA-N 2 0 242.407 1.810 20 0 BDADRP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000222970322 358216639 /nfs/dbraw/zinc/21/66/39/358216639.db2.gz BGKLJHMLLWFNHA-QJPTWQEYSA-N 2 0 241.379 1.151 20 0 BDADRP C[NH+](C)Cc1ccc(NC(=O)C(C)(C)[NH3+])cc1 ZINC000040922337 358248435 /nfs/dbraw/zinc/24/84/35/358248435.db2.gz YWOVPVHIFPTSSB-UHFFFAOYSA-N 2 0 235.331 1.424 20 0 BDADRP CSCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000172423503 134265958 /nfs/dbraw/zinc/26/59/58/134265958.db2.gz UANZCZMNTHDVFZ-LBPRGKRZSA-N 2 0 228.405 1.767 20 0 BDADRP CC[NH+](CC)C[C@H](C)NC(=O)CC[NH2+]C(C)C ZINC000041680184 358333903 /nfs/dbraw/zinc/33/39/03/358333903.db2.gz DAJKYKRLAZAPOR-LBPRGKRZSA-N 2 0 243.395 1.221 20 0 BDADRP Cn1ccc(C[NH2+]CC2(C)CC[NH+](C)CC2)n1 ZINC000227329815 358354043 /nfs/dbraw/zinc/35/40/43/358354043.db2.gz AZFIIKFDWHFCOL-UHFFFAOYSA-N 2 0 236.363 1.242 20 0 BDADRP CC(C)(C)NC(=O)CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000228334617 358374195 /nfs/dbraw/zinc/37/41/95/358374195.db2.gz PQNTXFRNHFLKMN-QWRGUYRKSA-N 2 0 241.379 1.151 20 0 BDADRP C[NH2+]CCC[NH2+]Cc1ccnc2ccccc12 ZINC000228394853 358374667 /nfs/dbraw/zinc/37/46/67/358374667.db2.gz QDYMHYGYBQJHCM-UHFFFAOYSA-N 2 0 229.327 1.934 20 0 BDADRP COCCCC[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000044659224 358392439 /nfs/dbraw/zinc/39/24/39/358392439.db2.gz MZWWXDVKJHYOQT-QWRGUYRKSA-N 2 0 200.326 1.225 20 0 BDADRP C[C@H]1CCCC[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000219325205 134281367 /nfs/dbraw/zinc/28/13/67/134281367.db2.gz VLCQGQFNKMBRLC-QWHCGFSZSA-N 2 0 228.380 1.733 20 0 BDADRP CC[NH+](CC)CCNC(=O)C(CC)(CC)C[NH3+] ZINC000044752980 358552866 /nfs/dbraw/zinc/55/28/66/358552866.db2.gz QDMSEBJDEIGANF-UHFFFAOYSA-N 2 0 243.395 1.210 20 0 BDADRP CCC(O)(CC)C[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000130069860 358606642 /nfs/dbraw/zinc/60/66/42/358606642.db2.gz PBGWVKYSSSCWHF-RYUDHWBXSA-N 2 0 240.391 1.752 20 0 BDADRP CN1CC[C@H]([NH2+]C[C@H]2CCSC2)C1 ZINC000300234340 358589340 /nfs/dbraw/zinc/58/93/40/358589340.db2.gz UXAKRYXNGAMGHQ-ZJUUUORDSA-N 2 0 200.351 1.033 20 0 BDADRP CCC[C@@H](C(=O)OCC)[NH+]1CCC(C[NH3+])CC1 ZINC000212308152 358590725 /nfs/dbraw/zinc/59/07/25/358590725.db2.gz QVWWQKHMDFYGBJ-LBPRGKRZSA-N 2 0 242.363 1.389 20 0 BDADRP CCOC(=O)CCCCC[N@@H+]1CCC[C@@H]1CN ZINC000131859309 358697784 /nfs/dbraw/zinc/69/77/84/358697784.db2.gz SRRWCBVAVNXQBC-GFCCVEGCSA-N 2 0 242.363 1.533 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]CC2(O)CCC2)CC1 ZINC000133438455 358754687 /nfs/dbraw/zinc/75/46/87/358754687.db2.gz TXXWRUAZBJPVCD-UHFFFAOYSA-N 2 0 226.364 1.364 20 0 BDADRP CCOC[C@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000132247363 358714043 /nfs/dbraw/zinc/71/40/43/358714043.db2.gz PKSHNVZJAQNWFH-ZDUSSCGKSA-N 2 0 228.380 1.877 20 0 BDADRP CCOC[C@H](C)[NH2+][C@@H]1CCN2CCCC[C@H]12 ZINC000132403105 358721886 /nfs/dbraw/zinc/72/18/86/358721886.db2.gz UKNTWFIVPHQNNZ-YNEHKIRRSA-N 2 0 226.364 1.628 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCN2CCCC[C@H]12 ZINC000132403744 358722548 /nfs/dbraw/zinc/72/25/48/358722548.db2.gz DLZNKUWRCQXJRF-UMSGYPCISA-N 2 0 226.364 1.626 20 0 BDADRP C[C@@H]([NH3+])CCC(=O)NCC1([NH+](C)C)CCCC1 ZINC000132420360 358723444 /nfs/dbraw/zinc/72/34/44/358723444.db2.gz HURYWOUHXYLTSK-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@H](CCO)[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000132556928 358727497 /nfs/dbraw/zinc/72/74/97/358727497.db2.gz GPGGIUXHDOHASW-FVCCEPFGSA-N 2 0 226.364 1.268 20 0 BDADRP CCC[C@@H](C)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000053382880 358826538 /nfs/dbraw/zinc/82/65/38/358826538.db2.gz UVZALIBQZXJMSO-CYBMUJFWSA-N 2 0 241.423 1.791 20 0 BDADRP CC(C)[N@H+](C)CCN[C@@H]1C[C@H](C)[NH+](C)C[C@H]1C ZINC000054111221 358852962 /nfs/dbraw/zinc/85/29/62/358852962.db2.gz IXZLIABVPNXCAQ-HZSPNIEDSA-N 2 0 241.423 1.645 20 0 BDADRP C[NH+]1CCN(CCC[NH2+]CC2(C)CC2)CC1 ZINC000309591690 358878589 /nfs/dbraw/zinc/87/85/89/358878589.db2.gz UZUYJHDWCPTEDF-UHFFFAOYSA-N 2 0 225.380 1.014 20 0 BDADRP CC[NH+]1CCC(N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000086403434 358967844 /nfs/dbraw/zinc/96/78/44/358967844.db2.gz KFHRKPBVUXIHDM-WCQYABFASA-N 2 0 225.380 1.330 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000086403895 358968513 /nfs/dbraw/zinc/96/85/13/358968513.db2.gz VVFBDHDORPJARP-RWMBFGLXSA-N 2 0 227.396 1.576 20 0 BDADRP CCC[NH2+]CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000423311022 192697401 /nfs/dbraw/zinc/69/74/01/192697401.db2.gz OWSNKIGPKQGVCU-MCIONIFRSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@]1(CN[C@H]2CCC[C@@H]2C[NH3+])CCC[NH2+]C1 ZINC000423323217 192706771 /nfs/dbraw/zinc/70/67/71/192706771.db2.gz ADSCUGKTQLSWOY-AGIUHOORSA-N 2 0 225.380 1.093 20 0 BDADRP CSCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248002161 359251432 /nfs/dbraw/zinc/25/14/32/359251432.db2.gz KNHOPYAVEAHOOQ-NWDGAFQWSA-N 2 0 228.405 1.766 20 0 BDADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H]2CCCO2)C1 ZINC000247213967 359201949 /nfs/dbraw/zinc/20/19/49/359201949.db2.gz CMIVFZVIOABZGP-UONOGXRCSA-N 2 0 240.391 1.829 20 0 BDADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H]3CCCO3)CC[C@H]21 ZINC000248169036 359257294 /nfs/dbraw/zinc/25/72/94/359257294.db2.gz UJLSIAXTIPBZTK-MGPQQGTHSA-N 2 0 238.375 1.582 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423418628 192749809 /nfs/dbraw/zinc/74/98/09/192749809.db2.gz HSYOKJFLBJTPHF-IHRRRGAJSA-N 3 0 241.423 1.859 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C=C[C@H](CO)C2)CC1(C)C ZINC000623451889 359348164 /nfs/dbraw/zinc/34/81/64/359348164.db2.gz OOWWMAXRLKTPIR-XQQFMLRXSA-N 2 0 238.375 1.386 20 0 BDADRP COC[C@H]([NH2+][C@H](C)CCC[NH3+])C1CCCC1 ZINC000423460420 192778780 /nfs/dbraw/zinc/77/87/80/192778780.db2.gz RYTBMBIYTXDZEA-YPMHNXCESA-N 2 0 228.380 1.909 20 0 BDADRP CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423446691 192773048 /nfs/dbraw/zinc/77/30/48/192773048.db2.gz YVXBOWIOWQNCME-LBELIVKGSA-N 2 0 208.349 1.763 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423466477 192781630 /nfs/dbraw/zinc/78/16/30/192781630.db2.gz AQFAYUIYCSRLSW-QJPTWQEYSA-N 2 0 214.353 1.532 20 0 BDADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)[C@H]1CCCOC1 ZINC000423466005 192782078 /nfs/dbraw/zinc/78/20/78/192782078.db2.gz AKIJIXNOXOUINT-MELADBBJSA-N 2 0 240.391 1.923 20 0 BDADRP CC[C@H]([NH3+])CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423469492 192784151 /nfs/dbraw/zinc/78/41/51/192784151.db2.gz PBHVIVKKUUIJLY-TVYUQYBPSA-N 2 0 219.332 1.458 20 0 BDADRP COC[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)C1CC1 ZINC000423492679 192794112 /nfs/dbraw/zinc/79/41/12/192794112.db2.gz ODJOZGCEFGQDLF-WCQGTBRESA-N 2 0 212.337 1.128 20 0 BDADRP CC[NH+](CC)CCC[NH+]1[C@H](C)CC(O)C[C@H]1C ZINC000191154121 359533630 /nfs/dbraw/zinc/53/36/30/359533630.db2.gz DECTWJYGMJTJDV-CHWSQXEVSA-N 2 0 242.407 1.952 20 0 BDADRP CCn1ccnc1CN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000086887055 359586096 /nfs/dbraw/zinc/58/60/96/359586096.db2.gz HOVGUYDSHCTIAJ-GHMZBOCLSA-N 2 0 222.336 1.072 20 0 BDADRP Cc1c[nH+]ccc1NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000450797388 202268913 /nfs/dbraw/zinc/26/89/13/202268913.db2.gz XJZPEEXXRBBSOF-BETUJISGSA-N 2 0 247.342 1.087 20 0 BDADRP CC[NH2+]CCC[NH2+][C@H]1C[C@H](OC)C12CCC2 ZINC000578433831 366566609 /nfs/dbraw/zinc/56/66/09/366566609.db2.gz JJPAHQZOJHAWCE-RYUDHWBXSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@H](O)C2)CC[N@@H+]1C ZINC000163311427 202368475 /nfs/dbraw/zinc/36/84/75/202368475.db2.gz IJRAFNAJZQNJDI-SYQHCUMBSA-N 2 0 240.391 1.610 20 0 BDADRP CC[C@H](CO)[N@H+](C)CCC[NH+](CC)CC ZINC000451161795 202368561 /nfs/dbraw/zinc/36/85/61/202368561.db2.gz ZYXOYGCRAKQAOH-GFCCVEGCSA-N 2 0 216.369 1.421 20 0 BDADRP C[NH2+]C[C@H]1CCCN1Cc1cccc(O)c1 ZINC000087178355 359900043 /nfs/dbraw/zinc/90/00/43/359900043.db2.gz MAWNDQTYFYIJOJ-GFCCVEGCSA-N 2 0 220.316 1.576 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC(C1CC1)C1CC1 ZINC000578617132 366608823 /nfs/dbraw/zinc/60/88/23/366608823.db2.gz YZTMPQHAEKPTMC-CHWSQXEVSA-N 2 0 208.349 1.892 20 0 BDADRP COC[C@]1(C[NH2+][C@@H](C(C)C)C2CC2)CCC[NH2+]1 ZINC000578617342 366608908 /nfs/dbraw/zinc/60/89/08/366608908.db2.gz DFYSZQYRVKWXSU-UONOGXRCSA-N 2 0 240.391 1.779 20 0 BDADRP C(C[N@@H+]1CCC[C@H]2CCC[C@H]21)N1CC[NH2+]CC1 ZINC000087771419 359926483 /nfs/dbraw/zinc/92/64/83/359926483.db2.gz XYLYITNETPZYED-ZIAGYGMSSA-N 2 0 237.391 1.156 20 0 BDADRP CC[C@@H]([NH2+]CCC1(COC)CC1)[C@@H]1CCC[NH2+]1 ZINC000578867857 366655325 /nfs/dbraw/zinc/65/53/25/366655325.db2.gz GCDVSBXESUKFRU-OLZOCXBDSA-N 2 0 240.391 1.923 20 0 BDADRP COc1ccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cn1 ZINC000089140519 359992531 /nfs/dbraw/zinc/99/25/31/359992531.db2.gz DBUPZUMLDANGEA-STQMWFEESA-N 2 0 249.358 1.697 20 0 BDADRP COc1ccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089147336 359992834 /nfs/dbraw/zinc/99/28/34/359992834.db2.gz OLFGNJKRKJXQKB-OCCSQVGLSA-N 2 0 234.343 1.912 20 0 BDADRP CCC[NH+]1CCC(N[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089147962 359993140 /nfs/dbraw/zinc/99/31/40/359993140.db2.gz GJSFYLZRJJHUBJ-GXTWGEPZSA-N 2 0 239.407 1.578 20 0 BDADRP CC[C@@H](C)C[NH2+]C[C@@H](C)N1CC[NH+](CC)CC1 ZINC000093061753 360213987 /nfs/dbraw/zinc/21/39/87/360213987.db2.gz NGEAPSLNEFSHCA-ZIAGYGMSSA-N 2 0 241.423 1.648 20 0 BDADRP CC1(C)CCC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000094324296 360303719 /nfs/dbraw/zinc/30/37/19/360303719.db2.gz IYOGAVTXMJLARQ-STQMWFEESA-N 2 0 240.391 1.611 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000449126712 200658530 /nfs/dbraw/zinc/65/85/30/200658530.db2.gz VNJQDZHJDGRKRC-UTUOFQBUSA-N 2 0 241.379 1.008 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cncc(F)c1 ZINC000414803216 200765856 /nfs/dbraw/zinc/76/58/56/200765856.db2.gz NIURVCDAYKPVTQ-YPMHNXCESA-N 2 0 237.322 1.828 20 0 BDADRP [NH3+]CC1CCC([NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000414994870 200787731 /nfs/dbraw/zinc/78/77/31/200787731.db2.gz DWNHRBYHCLLUCW-YIFLHPOLSA-N 3 0 239.407 1.611 20 0 BDADRP Cc1ncccc1C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414999295 200789298 /nfs/dbraw/zinc/78/92/98/200789298.db2.gz RPCNGNDCXTULNS-OCCSQVGLSA-N 2 0 233.359 1.997 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+]C[C@@H](C)C[NH3+])CCO1 ZINC000414884808 200775991 /nfs/dbraw/zinc/77/59/91/200775991.db2.gz WJCNVZZFWVJLJZ-QJPTWQEYSA-N 2 0 214.353 1.376 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000629404854 361054997 /nfs/dbraw/zinc/05/49/97/361054997.db2.gz RNDSNWZLZCOZIQ-YNEHKIRRSA-N 2 0 228.380 1.637 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC2([NH3+])CCOCC2)C[C@@H](C)C1 ZINC000629389214 361035137 /nfs/dbraw/zinc/03/51/37/361035137.db2.gz ZNZARBMTQULXNO-ITGUQSILSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CC2([NH3+])CCOCC2)C[C@H]1C ZINC000629386961 361038971 /nfs/dbraw/zinc/03/89/71/361038971.db2.gz ARPFVHHWSITFHP-UPJWGTAASA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H]1CCCC[C@H]1C[NH2+]CC1([NH3+])CCOCC1 ZINC000629387700 361040066 /nfs/dbraw/zinc/04/00/66/361040066.db2.gz JKCCFFODTORRJY-OLZOCXBDSA-N 2 0 240.391 1.910 20 0 BDADRP C[C@@H](CC1CCOCC1)[NH2+]CCOCCC[NH3+] ZINC000629399017 361046799 /nfs/dbraw/zinc/04/67/99/361046799.db2.gz AJCFEZUYMNWQMB-LBPRGKRZSA-N 2 0 244.379 1.147 20 0 BDADRP CC(C)C[C@@H](C)[NH2+]CCOCCC[NH3+] ZINC000629398171 361049158 /nfs/dbraw/zinc/04/91/58/361049158.db2.gz OBCUNUDEONMOOO-LLVKDONJSA-N 2 0 202.342 1.376 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000629404042 361049959 /nfs/dbraw/zinc/04/99/59/361049959.db2.gz HTSXGOZWILOAPO-UONOGXRCSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@H]1CCC[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629399507 361050760 /nfs/dbraw/zinc/05/07/60/361050760.db2.gz SKNWREXRWUXZEC-WDEREUQCSA-N 2 0 200.326 1.130 20 0 BDADRP CCO[C@H](C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1)C1CC1 ZINC000629521539 361117889 /nfs/dbraw/zinc/11/78/89/361117889.db2.gz UNWBEGUBEMZCSA-KGYLQXTDSA-N 2 0 226.364 1.471 20 0 BDADRP C[C@H]([NH2+]CC1([NH3+])CCOCC1)[C@@H]1CC1(C)C ZINC000629519235 361118533 /nfs/dbraw/zinc/11/85/33/361118533.db2.gz FDEDPELLXNYDCX-QWRGUYRKSA-N 2 0 226.364 1.519 20 0 BDADRP CCO[C@@H](CN1CCC[NH2+]CC1)C1CC1 ZINC000629508892 361102683 /nfs/dbraw/zinc/10/26/83/361102683.db2.gz FLZUBAYKULUVIS-LBPRGKRZSA-N 2 0 212.337 1.097 20 0 BDADRP CCO[C@H](C[NH+]1CCC(C[NH3+])CC1)C1CC1 ZINC000629508728 361102696 /nfs/dbraw/zinc/10/26/96/361102696.db2.gz AFARBCKPLCOREM-CYBMUJFWSA-N 2 0 226.364 1.472 20 0 BDADRP C1CC2(C1)[NH2+]CC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000629512103 361106018 /nfs/dbraw/zinc/10/60/18/361106018.db2.gz ALCOHNMKHTXNPE-DGAVXFQQSA-N 2 0 249.402 1.249 20 0 BDADRP CCO[C@@H](C[NH+]1CCC([NH3+])CC1)C1CC1 ZINC000629510793 361108837 /nfs/dbraw/zinc/10/88/37/361108837.db2.gz UHDCEFSCQJUXSM-LBPRGKRZSA-N 2 0 212.337 1.225 20 0 BDADRP CCO[C@H](C[N@H+](C)CC(C)(C)C[NH3+])C1CC1 ZINC000629512927 361110463 /nfs/dbraw/zinc/11/04/63/361110463.db2.gz JOZYYKUDVFAQFE-GFCCVEGCSA-N 2 0 228.380 1.718 20 0 BDADRP C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CC1([NH3+])CCOCC1 ZINC000629519877 361120539 /nfs/dbraw/zinc/12/05/39/361120539.db2.gz ILQJTOUJRZGWFZ-AGIUHOORSA-N 2 0 238.375 1.663 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCN1CC(F)F ZINC000629520226 361116847 /nfs/dbraw/zinc/11/68/47/361116847.db2.gz UZIYOFAVCNQRQZ-AXFHLTTASA-N 2 0 247.333 1.185 20 0 BDADRP CC(C)(C)[NH2+]CCN[C@@H]1CCCC[C@H]1[NH3+] ZINC000424370221 200923242 /nfs/dbraw/zinc/92/32/42/200923242.db2.gz SKYPRHRVCJQKAE-GHMZBOCLSA-N 2 0 213.369 1.234 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)C1CCOCC1 ZINC000629526182 361128507 /nfs/dbraw/zinc/12/85/07/361128507.db2.gz MKMXXDORQKJTJV-WCFLWFBJSA-N 2 0 226.364 1.532 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000629528207 361133045 /nfs/dbraw/zinc/13/30/45/361133045.db2.gz SKTPEZBYDVJPEQ-XHJNMGKDSA-N 3 0 237.391 1.105 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000629528204 361133051 /nfs/dbraw/zinc/13/30/51/361133051.db2.gz SKTPEZBYDVJPEQ-MQLXINIDSA-N 3 0 237.391 1.105 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc(C)s1 ZINC000629528623 361136132 /nfs/dbraw/zinc/13/61/32/361136132.db2.gz FILYXRFKEUARGW-NSHDSACASA-N 2 0 242.388 1.943 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H](C)c1ccccc1F ZINC000629528655 361136149 /nfs/dbraw/zinc/13/61/49/361136149.db2.gz GDODTLTUJGUXPT-LLVKDONJSA-N 2 0 240.322 1.712 20 0 BDADRP C[NH2+]CCOCC[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000629528616 361136261 /nfs/dbraw/zinc/13/62/61/361136261.db2.gz FCXDWZIUOBHBGY-VXGBXAGGSA-N 2 0 228.380 1.637 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@@H]1CCOC ZINC000629528459 361136576 /nfs/dbraw/zinc/13/65/76/361136576.db2.gz ZPIQQDHNXRCKAF-XJFOESAGSA-N 2 0 240.391 1.922 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000629528519 361137484 /nfs/dbraw/zinc/13/74/84/361137484.db2.gz BCTGALVLIKVMCP-WUHRBBMRSA-N 2 0 225.380 1.105 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccccc1 ZINC000629529314 361138438 /nfs/dbraw/zinc/13/84/38/361138438.db2.gz ZFKUMFVDBWECAO-LBPRGKRZSA-N 2 0 222.332 1.573 20 0 BDADRP CCc1ccc([C@@H](C)[NH2+]CCOCC[NH2+]C)o1 ZINC000629529141 361138485 /nfs/dbraw/zinc/13/84/85/361138485.db2.gz SNGOTUHOGCBIKE-LLVKDONJSA-N 2 0 240.347 1.729 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CCCC12CCCC2 ZINC000629530300 361144336 /nfs/dbraw/zinc/14/43/36/361144336.db2.gz CBXQIORDARTRTH-CYBMUJFWSA-N 2 0 240.391 1.925 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000629530724 361145813 /nfs/dbraw/zinc/14/58/13/361145813.db2.gz PBELITOBPHWGGJ-VXGBXAGGSA-N 2 0 228.380 1.637 20 0 BDADRP CC[C@H]([NH2+]CCOCC[NH2+]C)[C@@H]1C[C@H]1C ZINC000629531346 361149296 /nfs/dbraw/zinc/14/92/96/361149296.db2.gz HYIBHCVTVSFPQH-UTUOFQBUSA-N 2 0 214.353 1.247 20 0 BDADRP CC[C@H]([NH2+]CCOCC[NH2+]C)[C@H]1C[C@@H]1C ZINC000629531344 361149363 /nfs/dbraw/zinc/14/93/63/361149363.db2.gz HYIBHCVTVSFPQH-SRVKXCTJSA-N 2 0 214.353 1.247 20 0 BDADRP CCO[C@H](C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)C1CC1 ZINC000629532306 361151355 /nfs/dbraw/zinc/15/13/55/361151355.db2.gz UVKKJMIJNWKQRS-BFHYXJOUSA-N 2 0 238.375 1.485 20 0 BDADRP CC[C@H]([NH2+]CC1([NH3+])CCOCC1)C(C)C ZINC000629525019 361125505 /nfs/dbraw/zinc/12/55/05/361125505.db2.gz XRZXQOJZCNWYDC-NSHDSACASA-N 2 0 214.353 1.519 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000629526149 361127952 /nfs/dbraw/zinc/12/79/52/361127952.db2.gz LQBOZUYVGBGXHT-ZOBORPQBSA-N 2 0 239.407 1.447 20 0 BDADRP COC(=O)CC1([NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000578991626 366689067 /nfs/dbraw/zinc/68/90/67/366689067.db2.gz JRMUWAJNEYUZLZ-WDEREUQCSA-N 2 0 240.347 1.060 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@]1(C)CCCO1 ZINC000428221560 201002913 /nfs/dbraw/zinc/00/29/13/201002913.db2.gz KWHKMRCUKQXRKB-OCCSQVGLSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)[NH2+]CCCN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000579225130 366736867 /nfs/dbraw/zinc/73/68/67/366736867.db2.gz FYPQRTIGVRTUIQ-STQMWFEESA-N 2 0 227.396 1.447 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@H]1CCCc2cccnc21 ZINC000622044595 370677086 /nfs/dbraw/zinc/67/70/86/370677086.db2.gz LPVKGBHZTUDMRI-JQWIXIFHSA-N 2 0 219.332 1.786 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000622045219 370678536 /nfs/dbraw/zinc/67/85/36/370678536.db2.gz HTEDGYFNRIRTRE-DCAQKATOSA-N 2 0 200.326 1.128 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2cn[nH]c2)CC1 ZINC000379722692 361358546 /nfs/dbraw/zinc/35/85/46/361358546.db2.gz JTENMIRZDPYZEZ-LLVKDONJSA-N 2 0 236.363 1.792 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC2=CCCOC2)C1 ZINC000379738565 361381275 /nfs/dbraw/zinc/38/12/75/361381275.db2.gz WILARBMIIIEFTC-NEPJUHHUSA-N 2 0 210.321 1.193 20 0 BDADRP Cc1nn(C(C)C)cc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000579354237 366767762 /nfs/dbraw/zinc/76/77/62/366767762.db2.gz UWKOMIKFYPHFHC-WDEREUQCSA-N 2 0 238.379 1.988 20 0 BDADRP C[C@H]([NH2+]CCOCCC[NH3+])c1cncc(F)c1 ZINC000629534782 361408633 /nfs/dbraw/zinc/40/86/33/361408633.db2.gz BMYIFDDYJCQZQJ-JTQLQIEISA-N 2 0 241.310 1.237 20 0 BDADRP C[C@@H]1CC[C@H](N[C@@H]2CC[NH2+]CC[C@@H]2C)C[NH2+]1 ZINC000629535757 361409625 /nfs/dbraw/zinc/40/96/25/361409625.db2.gz CZDBUQXXRBWGOX-QNWHQSFQSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1CC[C@H](N[C@H]2CC[NH2+]CC[C@@H]2C)C[NH2+]1 ZINC000629535760 361409866 /nfs/dbraw/zinc/40/98/66/361409866.db2.gz CZDBUQXXRBWGOX-RNJOBUHISA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CC[NH2+][C@H]1C ZINC000629544264 361423533 /nfs/dbraw/zinc/42/35/33/361423533.db2.gz HEVUVWYCWDGWNG-IGQOVBAYSA-N 2 0 239.407 1.637 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000629545169 361425789 /nfs/dbraw/zinc/42/57/89/361425789.db2.gz CIFVHOQQARBKSH-WYUUTHIRSA-N 2 0 210.321 1.023 20 0 BDADRP CC[C@H](N[C@H]1CO[C@@H](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000629547102 361430899 /nfs/dbraw/zinc/43/08/99/361430899.db2.gz JJMHWEGRRUUNEJ-ZOBORPQBSA-N 2 0 238.375 1.674 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000629547695 361431213 /nfs/dbraw/zinc/43/12/13/361431213.db2.gz ULJDVTRWLXBGCZ-KQURDKLPSA-N 2 0 231.343 1.471 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000629547738 361432053 /nfs/dbraw/zinc/43/20/53/361432053.db2.gz ULJDVTRWLXBGCZ-WTDIUWLJSA-N 2 0 231.343 1.471 20 0 BDADRP CC[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+][C@H]2C)[C@@H](C)C1 ZINC000629548538 361434290 /nfs/dbraw/zinc/43/42/90/361434290.db2.gz PTNUQWNZLLQLKZ-ZDEQEGDKSA-N 2 0 225.380 1.057 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc[nH]c2=O)C1 ZINC000629548858 361434562 /nfs/dbraw/zinc/43/45/62/361434562.db2.gz ZUUWUKJWOXBMMT-GHMZBOCLSA-N 2 0 221.304 1.147 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)C1CCOCC1 ZINC000629548990 361435559 /nfs/dbraw/zinc/43/55/59/361435559.db2.gz TXHMITURNDSSDU-JBLDHEPKSA-N 2 0 212.337 1.142 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCCC12CC2 ZINC000629553568 361439114 /nfs/dbraw/zinc/43/91/14/361439114.db2.gz ADQRSDAYZKJAOO-STQMWFEESA-N 2 0 240.391 1.910 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000629554644 361440165 /nfs/dbraw/zinc/44/01/65/361440165.db2.gz LOYASJNASNJWHI-RGDJUOJXSA-N 2 0 238.375 1.389 20 0 BDADRP c1ccc([C@H]2C[C@H](N[C@@H]3CC[NH2+]C3)CC[NH2+]2)cc1 ZINC000629553942 361440417 /nfs/dbraw/zinc/44/04/17/361440417.db2.gz FCHCIFNJKAQSEM-RBSFLKMASA-N 2 0 245.370 1.431 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000629554351 361441647 /nfs/dbraw/zinc/44/16/47/361441647.db2.gz HYHXPJGKRGDGJE-NDBYEHHHSA-N 2 0 226.364 1.532 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000629554312 361441990 /nfs/dbraw/zinc/44/19/90/361441990.db2.gz HPQQLFVLCBYWTC-RNJOBUHISA-N 2 0 226.364 1.661 20 0 BDADRP CN(CC[NH2+][C@@H]1CCCC[C@H]1C[NH3+])CC(F)F ZINC000629556777 361445180 /nfs/dbraw/zinc/44/51/80/361445180.db2.gz YLXRRIYRHZALLA-WDEREUQCSA-N 2 0 249.349 1.290 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CCN(C)CC(F)F ZINC000629555566 361447190 /nfs/dbraw/zinc/44/71/90/361447190.db2.gz XKOZYWZJPDAYLX-JTQLQIEISA-N 2 0 237.338 1.290 20 0 BDADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1nccs1 ZINC000629541656 361416511 /nfs/dbraw/zinc/41/65/11/361416511.db2.gz SKIHYUYJFVJZIH-SECBINFHSA-N 2 0 229.349 1.159 20 0 BDADRP CCO[C@H](C[NH+]1CCC2(CC[NH2+]2)CC1)C1CC1 ZINC000629542542 361419661 /nfs/dbraw/zinc/41/96/61/361419661.db2.gz FNZXWOCBCMEHPC-CYBMUJFWSA-N 2 0 238.375 1.629 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000629572414 361463880 /nfs/dbraw/zinc/46/38/80/361463880.db2.gz SENKAPNFJMLXKY-HZSPNIEDSA-N 2 0 240.391 1.590 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)CC1CC=CC1 ZINC000629572303 361463913 /nfs/dbraw/zinc/46/39/13/361463913.db2.gz PZCUIKLZUCHJON-UHFFFAOYSA-N 2 0 212.337 1.120 20 0 BDADRP C[C@H](c1ccccn1)[N@H+](C)CCOCC[NH3+] ZINC000629578837 361465188 /nfs/dbraw/zinc/46/51/88/361465188.db2.gz VKLYFDKSEUFOLW-LLVKDONJSA-N 2 0 223.320 1.050 20 0 BDADRP C[C@@H]1CCCC[C@@H]1C[N@H+](C)CCOCC[NH3+] ZINC000629581075 361471488 /nfs/dbraw/zinc/47/14/88/361471488.db2.gz MGUNGCHMMHSQPF-CHWSQXEVSA-N 2 0 228.380 1.720 20 0 BDADRP C[NH2+]CCC1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000070189653 361477332 /nfs/dbraw/zinc/47/73/32/361477332.db2.gz MUARGQRRPSCEOH-AWEZNQCLSA-N 2 0 240.391 1.877 20 0 BDADRP CC[C@@H](C(=O)NCC1([NH3+])CCCCC1)[NH+](C)C ZINC000629610786 361500667 /nfs/dbraw/zinc/50/06/67/361500667.db2.gz IIRGSHUJYMMZMD-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP CCC[N@H+](Cc1ccn(C)c1)C1CC[NH2+]CC1 ZINC000629651915 361557540 /nfs/dbraw/zinc/55/75/40/361557540.db2.gz OOYPMCFWUUWSSG-UHFFFAOYSA-N 2 0 235.375 1.989 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccn(C)c1 ZINC000629646815 361535386 /nfs/dbraw/zinc/53/53/86/361535386.db2.gz FKIVJTRKMXXCJF-ZYHUDNBSSA-N 2 0 207.321 1.194 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000629655567 361560077 /nfs/dbraw/zinc/56/00/77/361560077.db2.gz ZTMOBAVEBBUPDG-QNWHQSFQSA-N 3 0 225.380 1.105 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000629655461 361560633 /nfs/dbraw/zinc/56/06/33/361560633.db2.gz XDVSATOSYPPHKP-GRYCIOLGSA-N 2 0 212.337 1.143 20 0 BDADRP COC1(C[NH2+]CC2(C)CC[NH2+]CC2)CCCC1 ZINC000629648531 361540541 /nfs/dbraw/zinc/54/05/41/361540541.db2.gz WFEUWMUZJKJFLR-UHFFFAOYSA-N 2 0 240.391 1.925 20 0 BDADRP C[C@H]1CC[N@H+](Cc2ccn(C)c2)C[C@@H]1C[NH3+] ZINC000629648481 361540851 /nfs/dbraw/zinc/54/08/51/361540851.db2.gz PCWWUCKCESPWID-AAEUAGOBSA-N 2 0 221.348 1.442 20 0 BDADRP C[C@H]1CC[N@H+](CC2=CCCOC2)C[C@H]1C[NH3+] ZINC000629648569 361541332 /nfs/dbraw/zinc/54/13/32/361541332.db2.gz RBHWPXBGKKKSGC-WCQYABFASA-N 2 0 224.348 1.250 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+]CC2=CCCOC2)cc1 ZINC000629649766 361546911 /nfs/dbraw/zinc/54/69/11/361546911.db2.gz GFKGCKGRQDSGBZ-UHFFFAOYSA-N 2 0 232.327 1.582 20 0 BDADRP C[C@H]1CC2(C[N@@H+]1Cc1ccn(C)c1)CC[NH2+]CC2 ZINC000629650350 361547638 /nfs/dbraw/zinc/54/76/38/361547638.db2.gz SBSQLNGACHTVMZ-ZDUSSCGKSA-N 2 0 247.386 1.989 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)C[C@@H]1CCC[C@@H](C)C1 ZINC000629652672 361551356 /nfs/dbraw/zinc/55/13/56/361551356.db2.gz BWNQORUICKRRMX-ZIAGYGMSSA-N 2 0 242.407 1.981 20 0 BDADRP CC(C)CCC[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000629653526 361552614 /nfs/dbraw/zinc/55/26/14/361552614.db2.gz PIQJJAXSSPWHQH-UHFFFAOYSA-N 2 0 238.335 1.167 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC3=CCCOC3)C[C@@H]21 ZINC000629646704 361532944 /nfs/dbraw/zinc/53/29/44/361532944.db2.gz CHBGIHXVFWPJEL-MELADBBJSA-N 2 0 236.359 1.392 20 0 BDADRP CCC[NH+]1CCC([N@H+](C)CCOCC)CC1 ZINC000152299474 201195112 /nfs/dbraw/zinc/19/51/12/201195112.db2.gz BKIIATOHIUFVIZ-UHFFFAOYSA-N 2 0 228.380 1.829 20 0 BDADRP COCC(C)(C)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629662981 361595491 /nfs/dbraw/zinc/59/54/91/361595491.db2.gz FPXUJDBSXXGOSC-OKILXGFUSA-N 2 0 240.391 1.590 20 0 BDADRP CC(C)CCC[NH2+]CCOCCC[NH3+] ZINC000629679795 361601742 /nfs/dbraw/zinc/60/17/42/361601742.db2.gz OVQQQVJMXOBDJV-UHFFFAOYSA-N 2 0 202.342 1.378 20 0 BDADRP CC(C)(C)[NH2+]CCN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629670235 361589906 /nfs/dbraw/zinc/58/99/06/361589906.db2.gz ZKGHBOKVIFJIKV-OKILXGFUSA-N 2 0 239.407 1.306 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CCCCO)C1 ZINC000309978845 491159293 /nfs/dbraw/zinc/15/92/93/491159293.db2.gz VGKXQSOYJNQDFK-QWHCGFSZSA-N 2 0 228.380 1.469 20 0 BDADRP CC[N@H+](CC1CCOCC1)[C@H]1CCC[NH2+]CC1 ZINC000435396080 201267062 /nfs/dbraw/zinc/26/70/62/201267062.db2.gz WNLHISLRGODYBJ-AWEZNQCLSA-N 2 0 240.391 1.877 20 0 BDADRP [NH3+]C1CCC([NH2+][C@H]2CC[C@@H](F)C2)CC1 ZINC000335018990 181342659 /nfs/dbraw/zinc/34/26/59/181342659.db2.gz YUNQZCVYNLVJHN-SFXRXQKFSA-N 2 0 200.301 1.737 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000154558360 201283943 /nfs/dbraw/zinc/28/39/43/201283943.db2.gz ANAPOPCTAAQWFF-PWSUYJOCSA-N 2 0 241.379 1.103 20 0 BDADRP CC[C@@](C)(O)CN1CCC[C@H]([NH2+]C(C)C)C1 ZINC000310013248 491160115 /nfs/dbraw/zinc/16/01/15/491160115.db2.gz JPTRNZPWMUKYNA-QWHCGFSZSA-N 2 0 228.380 1.610 20 0 BDADRP CS[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000161932710 201304432 /nfs/dbraw/zinc/30/44/32/201304432.db2.gz JPOITCUOWQMBAR-GMTAPVOTSA-N 2 0 216.394 1.810 20 0 BDADRP c1c(C[NH2+]C2CCCC2)nnn1C[C@H]1CCC[NH2+]1 ZINC000630606516 364329557 /nfs/dbraw/zinc/32/95/57/364329557.db2.gz ZSKCLQMPDDKHCZ-GFCCVEGCSA-N 2 0 249.362 1.062 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000133960969 364380676 /nfs/dbraw/zinc/38/06/76/364380676.db2.gz WOHQUHBXFDHEBR-RYUDHWBXSA-N 2 0 212.337 1.239 20 0 BDADRP C[NH+](C)CC(C)(C)CNC(=O)CCC(C)(C)[NH3+] ZINC000070086436 487527861 /nfs/dbraw/zinc/52/78/61/487527861.db2.gz HNTDQQNWUBHBSH-UHFFFAOYSA-N 2 0 243.395 1.208 20 0 BDADRP C[N@H+](C[C@H]1CCCC[C@@H]1O)CC(C)(C)C[NH3+] ZINC000328191093 364817052 /nfs/dbraw/zinc/81/70/52/364817052.db2.gz PKWHZRJNKJCTCF-NEPJUHHUSA-N 2 0 228.380 1.454 20 0 BDADRP COCCNCC[NH2+][C@@H]1CCCCC1(C)C ZINC000573460638 364841180 /nfs/dbraw/zinc/84/11/80/364841180.db2.gz KEGGLYZCBBJVJT-GFCCVEGCSA-N 2 0 228.380 1.781 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1C[C@H]1CCCC[C@@H]1O ZINC000328533581 364869101 /nfs/dbraw/zinc/86/91/01/364869101.db2.gz ZCNUTKSFCHQFGP-LPWJVIDDSA-N 2 0 226.364 1.207 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCCC[C@@H]2O)C1 ZINC000573641233 364882272 /nfs/dbraw/zinc/88/22/72/364882272.db2.gz HPAJNSDRJLUCST-MJBXVCDLSA-N 2 0 240.391 1.421 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000573685050 364892700 /nfs/dbraw/zinc/89/27/00/364892700.db2.gz DVPLVOSOEZHEDT-AXFHLTTASA-N 2 0 249.358 1.562 20 0 BDADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)[C@@H](C)O)C1 ZINC000573914377 364943971 /nfs/dbraw/zinc/94/39/71/364943971.db2.gz ZUUZRLAKCDFDRH-MGPQQGTHSA-N 2 0 242.407 1.713 20 0 BDADRP [NH3+]CCCCCCC(=O)Nc1ccc(C[NH3+])cc1 ZINC000295077223 181375596 /nfs/dbraw/zinc/37/55/96/181375596.db2.gz HWJRERODIFTNJW-UHFFFAOYSA-N 2 0 249.358 1.993 20 0 BDADRP [NH3+]CCCC[NH2+]Cc1cc(F)ccc1F ZINC000037715302 181377883 /nfs/dbraw/zinc/37/78/83/181377883.db2.gz VIEFEQFHOXFBSL-UHFFFAOYSA-N 2 0 214.259 1.793 20 0 BDADRP [NH3+]CCCCNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000357787996 181375885 /nfs/dbraw/zinc/37/58/85/181375885.db2.gz HVYPCCSORPNLEU-VXGBXAGGSA-N 2 0 241.379 1.139 20 0 BDADRP CC(C)(CO)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250686005 541440254 /nfs/dbraw/zinc/44/02/54/541440254.db2.gz FHJANRABLLOVGM-NEPJUHHUSA-N 2 0 226.364 1.221 20 0 BDADRP [NH3+]CCCN1CC[NH+](CC2CCCCC2)CC1 ZINC000019933693 181381545 /nfs/dbraw/zinc/38/15/45/181381545.db2.gz VATNHWYGKJQPMG-UHFFFAOYSA-N 2 0 239.407 1.533 20 0 BDADRP [NH3+]CCC[NH2+]CCOCc1ccccc1 ZINC000307126483 181381900 /nfs/dbraw/zinc/38/19/00/181381900.db2.gz BHDDPBNIBNJASA-UHFFFAOYSA-N 2 0 208.305 1.142 20 0 BDADRP CC[C@H]([NH3+])CNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000574384431 365048707 /nfs/dbraw/zinc/04/87/07/365048707.db2.gz GNNUQXLRIJLSCI-STQMWFEESA-N 2 0 249.358 1.320 20 0 BDADRP CC[NH2+]CCCN[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000574440886 365062526 /nfs/dbraw/zinc/06/25/26/365062526.db2.gz PLLZPFDOANPWRD-NWDGAFQWSA-N 2 0 225.380 1.201 20 0 BDADRP Nc1cccc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000443070173 193012217 /nfs/dbraw/zinc/01/22/17/193012217.db2.gz KUSGPTVZBVOCLG-GFCCVEGCSA-N 2 0 233.359 1.830 20 0 BDADRP CO[C@@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000444603754 193051970 /nfs/dbraw/zinc/05/19/70/193051970.db2.gz WXLLFILZUUAFOL-CYBMUJFWSA-N 2 0 226.364 1.583 20 0 BDADRP C[C@H]([NH3+])CCc1nc(C2([NH3+])CCCC2)no1 ZINC000575180075 365229542 /nfs/dbraw/zinc/22/95/42/365229542.db2.gz BDUSNQMJWGBUSF-QMMMGPOBSA-N 2 0 224.308 1.077 20 0 BDADRP FCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000379810892 365278086 /nfs/dbraw/zinc/27/80/86/365278086.db2.gz AEXNQBKGJOZKJT-IJLUTSLNSA-N 2 0 214.328 1.856 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](CO)C1CCCCC1 ZINC000579580779 366887010 /nfs/dbraw/zinc/88/70/10/366887010.db2.gz IDZNNYSHGURHLP-GVXVVHGQSA-N 2 0 228.380 1.643 20 0 BDADRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]CC(C)(C)O)C1 ZINC000576149151 365500301 /nfs/dbraw/zinc/50/03/01/365500301.db2.gz LWUHPYNFALRDBW-QWRGUYRKSA-N 2 0 214.353 1.220 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ncc[nH]1 ZINC000353603572 541483872 /nfs/dbraw/zinc/48/38/72/541483872.db2.gz GOOBQSPAMKRCKW-LLVKDONJSA-N 2 0 248.374 1.935 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(C)(C)O ZINC000157550039 541488997 /nfs/dbraw/zinc/48/89/97/541488997.db2.gz MXMPHEBCPCSQRV-QJPTWQEYSA-N 2 0 226.364 1.362 20 0 BDADRP C[C@@H]1C[C@@H](N2CCC[C@@H]([NH+](C)C)C2)CC[NH2+]1 ZINC000232055591 541503664 /nfs/dbraw/zinc/50/36/64/541503664.db2.gz WROMIHKYSGXTLR-FRRDWIJNSA-N 2 0 225.380 1.153 20 0 BDADRP COCC[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185702452 367140943 /nfs/dbraw/zinc/14/09/43/367140943.db2.gz ZRNOQLKCFAGNSP-OLZOCXBDSA-N 2 0 240.391 1.875 20 0 BDADRP C[NH2+][C@H](C)Cc1noc([C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000580773201 367161692 /nfs/dbraw/zinc/16/16/92/367161692.db2.gz BPBDJICGHVFWIA-BBBLOLIVSA-N 2 0 238.335 1.205 20 0 BDADRP CC[N@H+](CCN[C@@H]1CCC[C@@H]([NH3+])C1)C(C)C ZINC000580963190 367221463 /nfs/dbraw/zinc/22/14/63/367221463.db2.gz OXYGDDSFEHQXJP-CHWSQXEVSA-N 2 0 227.396 1.576 20 0 BDADRP CC[C@]1(C)CCC[N@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000580897310 367201463 /nfs/dbraw/zinc/20/14/63/367201463.db2.gz KRYSHKHBYINUHI-OLZOCXBDSA-N 2 0 228.380 1.469 20 0 BDADRP CC[NH2+]CCCN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000581304486 367334137 /nfs/dbraw/zinc/33/41/37/367334137.db2.gz DXFVVZOCKKUBJB-NWDGAFQWSA-N 2 0 213.369 1.106 20 0 BDADRP Cc1ccc(CC[NH2+][C@H]2CCC[C@H]2C[NH3+])cn1 ZINC000581185350 367287407 /nfs/dbraw/zinc/28/74/07/367287407.db2.gz XCKJZDMSOQYMGU-KBPBESRZSA-N 2 0 233.359 1.650 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000581194251 367290463 /nfs/dbraw/zinc/29/04/63/367290463.db2.gz YFRLCPWIBWRMFN-BJDJZHNGSA-N 2 0 241.379 1.101 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](F)C2)C1 ZINC000581260167 367311436 /nfs/dbraw/zinc/31/14/36/367311436.db2.gz FESPGYYVXVXORF-CHWFTXMASA-N 2 0 200.301 1.737 20 0 BDADRP CN(C[C@H](O)C[NH2+]CCCC1CC1)C1CC1 ZINC000381249305 367370295 /nfs/dbraw/zinc/37/02/95/367370295.db2.gz NYDNVPGYGBMXGR-CYBMUJFWSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C2CC([NH+](C)C)C2)C[C@H](C)O1 ZINC000581498987 367526956 /nfs/dbraw/zinc/52/69/56/367526956.db2.gz PETAXLPKZAGWOV-JSEMBRAVSA-N 2 0 226.364 1.625 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C2CC([NH+](C)C)C2)C[C@H](C)O1 ZINC000581498988 367527026 /nfs/dbraw/zinc/52/70/26/367527026.db2.gz PETAXLPKZAGWOV-XWCWTXAISA-N 2 0 226.364 1.625 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH2+]C1(CC)CCCC1 ZINC000382573169 367541781 /nfs/dbraw/zinc/54/17/81/367541781.db2.gz SQGLUNIRSGNBMI-GFCCVEGCSA-N 2 0 228.380 1.611 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC[NH2+]C2CC2)[C@H](C)O1 ZINC000382577970 367543981 /nfs/dbraw/zinc/54/39/81/367543981.db2.gz CLNAGVNMCMLRTP-SCVCMEIPSA-N 2 0 212.337 1.284 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](C[C@H]2CCCC[C@@H]2O)CC1 ZINC000383080966 367594426 /nfs/dbraw/zinc/59/44/26/367594426.db2.gz UABDRLILNOZJCO-YUTCNCBUSA-N 2 0 240.391 1.597 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C)NC1)C1CC[NH+](C)CC1 ZINC000399134459 367646655 /nfs/dbraw/zinc/64/66/55/367646655.db2.gz PTEXZKSQKCBLTE-MBNYWOFBSA-N 2 0 239.407 1.447 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCCSC1 ZINC000384112826 367672466 /nfs/dbraw/zinc/67/24/66/367672466.db2.gz HUGZLWFXDNIPHO-WDEREUQCSA-N 2 0 216.394 1.847 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000384279110 367681799 /nfs/dbraw/zinc/68/17/99/367681799.db2.gz AZNDCPASFFCDJR-FRRDWIJNSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@@H](CN(C)C[C@@H](O)C[NH3+])c1ccccc1 ZINC000384320564 367685297 /nfs/dbraw/zinc/68/52/97/367685297.db2.gz OOAMAFRDVUUMGE-AAEUAGOBSA-N 2 0 222.332 1.042 20 0 BDADRP C[N@H+](C[C@H]1CCC(F)(F)C1)C1CC([NH3+])C1 ZINC000384725882 367722123 /nfs/dbraw/zinc/72/21/23/367722123.db2.gz ACOXJOUKMCBVLQ-IDKOKCKLSA-N 2 0 218.291 1.843 20 0 BDADRP C[C@H](C[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C)C[NH+](C)C ZINC000384864984 367745544 /nfs/dbraw/zinc/74/55/44/367745544.db2.gz FCJXJHJRQQVEBL-DDHJBXDOSA-N 2 0 214.353 1.340 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)CC1 ZINC000384908617 367754963 /nfs/dbraw/zinc/75/49/63/367754963.db2.gz OJWFXGXJNNQBLO-OUCADQQQSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@H](CC(C)(C)O)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000384928415 367760470 /nfs/dbraw/zinc/76/04/70/367760470.db2.gz SAUCFQCVIQKJKZ-AGIUHOORSA-N 2 0 240.391 1.752 20 0 BDADRP C[N@H+](CCOc1ccccc1)C1CC([NH3+])C1 ZINC000384970093 367767703 /nfs/dbraw/zinc/76/77/03/367767703.db2.gz IJAWGWIQKZQLMC-UHFFFAOYSA-N 2 0 220.316 1.487 20 0 BDADRP C[N@H+](CCCOc1ccccc1)C1CC([NH3+])C1 ZINC000384973778 367768683 /nfs/dbraw/zinc/76/86/83/367768683.db2.gz IRCMXKQLYPIUIT-UHFFFAOYSA-N 2 0 234.343 1.877 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)[C@@H](C)O1 ZINC000384685371 367716909 /nfs/dbraw/zinc/71/69/09/367716909.db2.gz BKEDZRHQPWZDSW-JHJVBQTASA-N 2 0 240.391 1.874 20 0 BDADRP Cc1cnccc1C[NH+]1CCC(C[NH3+])CC1 ZINC000385021977 367773930 /nfs/dbraw/zinc/77/39/30/367773930.db2.gz IIDPLLPTHXJFLM-UHFFFAOYSA-N 2 0 219.332 1.561 20 0 BDADRP C[C@@H]([NH2+]CCCn1ccnc1)[C@@H]1CCCC[NH2+]1 ZINC000386018217 367899144 /nfs/dbraw/zinc/89/91/44/367899144.db2.gz ODGGMAOKXXUTDQ-OLZOCXBDSA-N 2 0 236.363 1.393 20 0 BDADRP C[C@@H]([NH2+]CCC[C@H](C)O)[C@@H]1CCCC[NH2+]1 ZINC000386554837 367991149 /nfs/dbraw/zinc/99/11/49/367991149.db2.gz HSCUBWNSOWLDLL-TUAOUCFPSA-N 2 0 214.353 1.268 20 0 BDADRP C(C[NH2+]CC1CC[NH2+]CC1)C[C@@H]1CCC[NH2+]1 ZINC000581943748 367971731 /nfs/dbraw/zinc/97/17/31/367971731.db2.gz VTCMYNXQRICXPQ-CYBMUJFWSA-N 3 0 225.380 1.108 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCCOC1)[C@@H]1CCCC[NH2+]1 ZINC000386504051 367981858 /nfs/dbraw/zinc/98/18/58/367981858.db2.gz WDKOPOCBQHBDJH-AVGNSLFASA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H]([NH2+]CCC[NH2+]C1CC1)[C@H]1CCCOC1 ZINC000386936725 368036489 /nfs/dbraw/zinc/03/64/89/368036489.db2.gz PYXCDODTEZEBTM-RYUDHWBXSA-N 2 0 226.364 1.533 20 0 BDADRP CC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)[C@H](C)O ZINC000386760878 368019875 /nfs/dbraw/zinc/01/98/75/368019875.db2.gz IIJYJGIUSDBLTN-WCQYABFASA-N 2 0 228.380 1.608 20 0 BDADRP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)[C@H](C)O ZINC000386879377 368031315 /nfs/dbraw/zinc/03/13/15/368031315.db2.gz LWWIKRALAYXZBE-NZPIUUIZSA-N 2 0 234.343 1.880 20 0 BDADRP C[NH2+]Cc1ccccc1NC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000581997743 368100284 /nfs/dbraw/zinc/10/02/84/368100284.db2.gz WRNFNWFDTXGYGX-ZJUUUORDSA-N 2 0 235.331 1.328 20 0 BDADRP C[C@@H]1C[C@@H](C[N@H+](C)Cc2nccs2)CC[NH2+]1 ZINC000387300635 368144534 /nfs/dbraw/zinc/14/45/34/368144534.db2.gz NIJPGSMRTAFDJL-MNOVXSKESA-N 2 0 239.388 1.963 20 0 BDADRP [NH3+]Cc1ccc(CC[NH+]2CCCC2)cc1 ZINC000108377381 368572956 /nfs/dbraw/zinc/57/29/56/368572956.db2.gz PKVISXNITYTURG-UHFFFAOYSA-N 2 0 204.317 1.784 20 0 BDADRP C[C@H]([NH2+]C(C)(C)CNC(N)=[NH2+])c1ccccc1 ZINC000069672699 368758620 /nfs/dbraw/zinc/75/86/20/368758620.db2.gz KWCKOJRMCMMEJM-JTQLQIEISA-N 2 0 234.347 1.599 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000086403736 368880215 /nfs/dbraw/zinc/88/02/15/368880215.db2.gz MMSLHJUZTVPHSI-OLZOCXBDSA-N 3 0 225.380 1.188 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCN2CCCCC2)C1 ZINC000086403685 368880394 /nfs/dbraw/zinc/88/03/94/368880394.db2.gz JBSXVYPGKVWMEN-STQMWFEESA-N 2 0 225.380 1.332 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccncc2)C[C@H]1C[NH3+] ZINC000631838711 369122600 /nfs/dbraw/zinc/12/26/00/369122600.db2.gz TXUDBDPKQUAAEV-ZYHUDNBSSA-N 2 0 205.305 1.108 20 0 BDADRP COC(=O)CCC[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404397465 369428166 /nfs/dbraw/zinc/42/81/66/369428166.db2.gz PKUFRTQSBVFXPM-NEPJUHHUSA-N 2 0 242.363 1.389 20 0 BDADRP c1[nH+]cn2cc(C[NH2+]C[C@H]3CCCOC3)ccc12 ZINC000459661134 203331580 /nfs/dbraw/zinc/33/15/80/203331580.db2.gz QGHONJPETUPDJH-CYBMUJFWSA-N 2 0 245.326 1.851 20 0 BDADRP CCOC[C@H](C)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459744944 203349829 /nfs/dbraw/zinc/34/98/29/203349829.db2.gz YHIOPOJZWAZBRZ-STQMWFEESA-N 2 0 228.380 1.733 20 0 BDADRP COC[C@H](C)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459783430 203345326 /nfs/dbraw/zinc/34/53/26/203345326.db2.gz NDWKDOYFNMFGDC-NWDGAFQWSA-N 2 0 214.353 1.343 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)CCO1 ZINC000459736638 203347659 /nfs/dbraw/zinc/34/76/59/203347659.db2.gz QCSREBZNIGJZRA-RDBSUJKOSA-N 2 0 240.391 1.875 20 0 BDADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cncs2)C1 ZINC000459738595 203349026 /nfs/dbraw/zinc/34/90/26/203349026.db2.gz RYNJINHWUGEBSA-NSHDSACASA-N 2 0 239.388 1.965 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CN1CCC[NH+]1CCCCC1 ZINC000631862214 369486398 /nfs/dbraw/zinc/48/63/98/369486398.db2.gz NFJNLPJFLTYEMC-CHWSQXEVSA-N 2 0 225.380 1.284 20 0 BDADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)C1CC1 ZINC000165294223 203383932 /nfs/dbraw/zinc/38/39/32/203383932.db2.gz LOWUVMIPYYIYKH-NWDGAFQWSA-N 2 0 225.380 1.010 20 0 BDADRP Cc1ccncc1CN1C[C@@H]([NH3+])C[C@@H]1C ZINC000631862648 369572684 /nfs/dbraw/zinc/57/26/84/369572684.db2.gz RWKVIGNYRAYPGM-JQWIXIFHSA-N 2 0 205.305 1.312 20 0 BDADRP Cc1cc(C)c(CN2C[C@@H]([NH3+])C[C@H]2C)c(C)n1 ZINC000631863407 369614295 /nfs/dbraw/zinc/61/42/95/369614295.db2.gz ZWIMIJUPLUBSOJ-YPMHNXCESA-N 2 0 233.359 1.928 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000621372117 370309206 /nfs/dbraw/zinc/30/92/06/370309206.db2.gz PMPRXSGNPJCRQE-KGLIPLIRSA-N 2 0 242.407 1.669 20 0 BDADRP CCn1nccc1CC[NH+]1CCC(C[NH3+])CC1 ZINC000621773975 370518823 /nfs/dbraw/zinc/51/88/23/370518823.db2.gz HPMMRINKECYJMU-UHFFFAOYSA-N 2 0 236.363 1.116 20 0 BDADRP [NH3+]C[C@@H]1CCN(Cc2cncc(Cl)c2)C1 ZINC000621773937 370518863 /nfs/dbraw/zinc/51/88/63/370518863.db2.gz GOUNGHPGVVCSOS-VIFPVBQESA-N 2 0 225.723 1.516 20 0 BDADRP C[NH2+]C[C@H]1CCCN1Cc1ccnc(C)c1 ZINC000621773786 370518926 /nfs/dbraw/zinc/51/89/26/370518926.db2.gz BTDVLYULASWVOC-CYBMUJFWSA-N 2 0 219.332 1.574 20 0 BDADRP COc1ccc(CN2CCC3(CC[NH2+]3)CC2)cn1 ZINC000621776101 370524772 /nfs/dbraw/zinc/52/47/72/370524772.db2.gz CCAQTNGTKVIUEV-UHFFFAOYSA-N 2 0 247.342 1.418 20 0 BDADRP CCn1cc(CCN2CC[C@H]3CC[NH2+][C@H]3C2)cn1 ZINC000621776823 370525587 /nfs/dbraw/zinc/52/55/87/370525587.db2.gz XJGACAYWXWRQMG-KGLIPLIRSA-N 2 0 248.374 1.129 20 0 BDADRP CO[C@H](C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1)C1CCC1 ZINC000621783443 370533997 /nfs/dbraw/zinc/53/39/97/370533997.db2.gz BLEFTWCKCUWDOQ-MGPQQGTHSA-N 2 0 238.375 1.615 20 0 BDADRP CCc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000079054205 370620561 /nfs/dbraw/zinc/62/05/61/370620561.db2.gz OWRLYXWUMORUJS-GJZGRUSLSA-N 2 0 230.355 1.900 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H]2CCCCO2)C1 ZINC000623867089 371133905 /nfs/dbraw/zinc/13/39/05/371133905.db2.gz QQJQFOGHRXIEGW-BFHYXJOUSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]([NH2+]CCCC[NH+](C)C)[C@H]1CCCCO1 ZINC000623878434 371139038 /nfs/dbraw/zinc/13/90/38/371139038.db2.gz HXMVHSBXQNFNSP-QWHCGFSZSA-N 2 0 228.380 1.875 20 0 BDADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@H]1CCCCO1 ZINC000623928212 371156671 /nfs/dbraw/zinc/15/66/71/371156671.db2.gz HYZDGAVUUMICPG-TZMCWYRMSA-N 2 0 238.375 1.796 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCn2ccnc2C1)[C@@H]1CCCCO1 ZINC000623964253 371201348 /nfs/dbraw/zinc/20/13/48/371201348.db2.gz AZZXYKGAWGEDPX-XQQFMLRXSA-N 2 0 249.358 1.745 20 0 BDADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)[C@@H]1CCCCO1 ZINC000623968218 371203558 /nfs/dbraw/zinc/20/35/58/371203558.db2.gz XWKOJMYWFOHJLM-OLZOCXBDSA-N 2 0 244.379 1.112 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](OC)C2)[C@@H](C)C1 ZINC000624296579 371461697 /nfs/dbraw/zinc/46/16/97/371461697.db2.gz AXPANYWEQJLVID-ZDEQEGDKSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000631825477 372603423 /nfs/dbraw/zinc/60/34/23/372603423.db2.gz JZEIIXHJZPQYJK-QJPTWQEYSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@H]1OCC[C@@H]1C[NH+]1CCC(C)([NH3+])CC1 ZINC000631824447 372588557 /nfs/dbraw/zinc/58/85/57/372588557.db2.gz GUCANGHXRSVJOQ-GHMZBOCLSA-N 2 0 212.337 1.225 20 0 BDADRP C[N@H+](Cc1cccc2c1CCOC2)C1CC([NH3+])C1 ZINC000631826788 372606557 /nfs/dbraw/zinc/60/65/57/372606557.db2.gz WUCHOEHUPWEDOO-UHFFFAOYSA-N 2 0 246.354 1.681 20 0 BDADRP C[C@H]1OCC[C@@H]1C[NH+]1CCC(CC[NH3+])CC1 ZINC000631829770 372612800 /nfs/dbraw/zinc/61/28/00/372612800.db2.gz ZGBJEOROSSRNDD-DGCLKSJQSA-N 2 0 226.364 1.472 20 0 BDADRP CC[NH+](CC)CCCN1CCCCC[C@@H]([NH3+])C1 ZINC000631835831 372623512 /nfs/dbraw/zinc/62/35/12/372623512.db2.gz YSMRILAMTVWUMX-CQSZACIVSA-N 2 0 241.423 1.922 20 0 BDADRP Cc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)nc1 ZINC000631837516 372627818 /nfs/dbraw/zinc/62/78/18/372627818.db2.gz CEWDDEQFVRYMPW-VXGBXAGGSA-N 2 0 219.332 1.417 20 0 BDADRP Cc1ncsc1CC[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631840332 372636958 /nfs/dbraw/zinc/63/69/58/372636958.db2.gz RMXGIDPUNDRNSU-MWLCHTKSSA-N 2 0 239.388 1.521 20 0 BDADRP CC[NH+](CC)CCCN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631852361 372651096 /nfs/dbraw/zinc/65/10/96/372651096.db2.gz NHYYPKRCZVGWSP-BETUJISGSA-N 2 0 225.380 1.155 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000631825664 372604318 /nfs/dbraw/zinc/60/43/18/372604318.db2.gz PRYDAARSQUYYAD-XQQFMLRXSA-N 2 0 226.364 1.472 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H]2CCO[C@H]2C)CC[C@@H]1[NH3+] ZINC000631824808 372604413 /nfs/dbraw/zinc/60/44/13/372604413.db2.gz QTTPCWQSEHPCJK-RNJOBUHISA-N 2 0 226.364 1.471 20 0 BDADRP C[C@H]1OCC[C@@H]1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000631826869 372605857 /nfs/dbraw/zinc/60/58/57/372605857.db2.gz YUKJKAZQJVDPAS-CHWSQXEVSA-N 2 0 238.375 1.487 20 0 BDADRP CC(C)OCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631887268 372681638 /nfs/dbraw/zinc/68/16/38/372681638.db2.gz PQJOQTVNIPVNKE-OLZOCXBDSA-N 2 0 226.364 1.485 20 0 BDADRP CC1(C)CN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC000038531487 372695170 /nfs/dbraw/zinc/69/51/70/372695170.db2.gz CHADVKSJJSWYMX-LBPRGKRZSA-N 2 0 204.317 1.856 20 0 BDADRP C[C@H]1CCC[C@@H]([NH2+]CCCN2CC[NH2+]CC2)C1 ZINC000414775392 205771044 /nfs/dbraw/zinc/77/10/44/205771044.db2.gz CKWNQWVLCPUOQJ-UONOGXRCSA-N 2 0 239.407 1.450 20 0 BDADRP Cc1c[nH+]ccc1NCC1CC[NH+](CCO)CC1 ZINC000191980691 205941691 /nfs/dbraw/zinc/94/16/91/205941691.db2.gz NTZXJAPRMDYHHD-UHFFFAOYSA-N 2 0 249.358 1.506 20 0 BDADRP CCN(CCO)CC[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000184543787 206012299 /nfs/dbraw/zinc/01/22/99/206012299.db2.gz RMEOTARYYXYQBG-QWHCGFSZSA-N 2 0 228.380 1.469 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424369344 206038380 /nfs/dbraw/zinc/03/83/80/206038380.db2.gz BLIXVLYXMKMZPY-GWOFURMSSA-N 2 0 200.326 1.269 20 0 BDADRP CCCCOCC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429022530 206060511 /nfs/dbraw/zinc/06/05/11/206060511.db2.gz BVSMMQPPXNMJPJ-CQSZACIVSA-N 2 0 240.391 1.831 20 0 BDADRP OC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000129247237 183106291 /nfs/dbraw/zinc/10/62/91/183106291.db2.gz VXKZSECDCCJHMP-HUUCEWRRSA-N 2 0 248.370 1.322 20 0 BDADRP O[C@@H](C[NH2+]C1CCCCCC1)C[NH+]1CCCC1 ZINC000037859735 183179295 /nfs/dbraw/zinc/17/92/95/183179295.db2.gz XCYGQQZTNGJXSC-AWEZNQCLSA-N 2 0 240.391 1.756 20 0 BDADRP O[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)CC1 ZINC000339786663 183191594 /nfs/dbraw/zinc/19/15/94/183191594.db2.gz HOJJGUVNXMNARH-CQSZACIVSA-N 2 0 240.391 1.709 20 0 BDADRP CCC[N@H+](CC)CCNC(=O)[C@H]([NH3+])[C@@H](C)CC ZINC000226407720 169121567 /nfs/dbraw/zinc/12/15/67/169121567.db2.gz CMYCJHVSJLNNTL-NWDGAFQWSA-N 2 0 243.395 1.208 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)N[C@H]1C[NH+](C)C[C@H]1C ZINC000353073200 169130780 /nfs/dbraw/zinc/13/07/80/169130780.db2.gz ORMHYOQULKTYON-RDBSUJKOSA-N 2 0 241.423 1.647 20 0 BDADRP CCC[N@H+](CCC[NH3+])C[C@@H]1CCCCO1 ZINC000036230895 169155703 /nfs/dbraw/zinc/15/57/03/169155703.db2.gz SDXKAGMFKKRHPA-LBPRGKRZSA-N 2 0 214.353 1.616 20 0 BDADRP CCC[N@H+](CCOC(C)C)C1CC[NH2+]CC1 ZINC000049260893 169169408 /nfs/dbraw/zinc/16/94/08/169169408.db2.gz OOURTDUWISKWAN-UHFFFAOYSA-N 2 0 228.380 1.875 20 0 BDADRP CCCN(c1cc[nH+]c(C)c1)[C@@H]1CC[NH2+]C1 ZINC000229575062 169182277 /nfs/dbraw/zinc/18/22/77/169182277.db2.gz XTXWDSOPMRNSGQ-CYBMUJFWSA-N 2 0 219.332 1.968 20 0 BDADRP CCC[NH+]1CCC(N2CCC[C@@H]([NH3+])C2)CC1 ZINC000041027586 169186223 /nfs/dbraw/zinc/18/62/23/169186223.db2.gz NNNHDXFXGHJXQW-GFCCVEGCSA-N 2 0 225.380 1.284 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@H](CC)OC)CC1 ZINC000309397868 169188874 /nfs/dbraw/zinc/18/88/74/169188874.db2.gz UUDZKCDLDVJPOY-ZDUSSCGKSA-N 2 0 228.380 1.875 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2O)CC1 ZINC000042237127 169190078 /nfs/dbraw/zinc/19/00/78/169190078.db2.gz OSUAMMWRDROPNK-CHWSQXEVSA-N 2 0 226.364 1.364 20 0 BDADRP CCC[NH+]1CCC(N[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000341898834 169190135 /nfs/dbraw/zinc/19/01/35/169190135.db2.gz UQNGRWHXWDTIPQ-JSGCOSHPSA-N 2 0 239.407 1.401 20 0 BDADRP c1c[nH]c([C@@H]2CCC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000336495840 183327426 /nfs/dbraw/zinc/32/74/26/183327426.db2.gz NXTMTGNPGYLGME-CHWSQXEVSA-N 3 0 248.374 1.589 20 0 BDADRP CCC[NH+]1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000019502743 169203473 /nfs/dbraw/zinc/20/34/73/169203473.db2.gz OHMKGGFOHFZYQD-CYBMUJFWSA-N 2 0 225.380 1.014 20 0 BDADRP c1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccn1 ZINC000335271346 183345909 /nfs/dbraw/zinc/34/59/09/183345909.db2.gz TWSGOGBHCVVRFV-OKILXGFUSA-N 2 0 231.343 1.513 20 0 BDADRP CCC[N@@H+]1CC[C@@H](C[NH2+]CC2(C)COC2)C1 ZINC000309971153 169206929 /nfs/dbraw/zinc/20/69/29/169206929.db2.gz PNKGSILWNIUGRN-LBPRGKRZSA-N 2 0 226.364 1.344 20 0 BDADRP CCC[NH2+][C@@H](C)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000295171362 169274186 /nfs/dbraw/zinc/27/41/86/169274186.db2.gz GCTSMSRIAJYGCR-NSHDSACASA-N 2 0 249.358 1.733 20 0 BDADRP CCC[C@@H](C)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000310090714 169357533 /nfs/dbraw/zinc/35/75/33/169357533.db2.gz DWXRQGADYNOEMS-KGLIPLIRSA-N 2 0 239.407 1.402 20 0 BDADRP CCC[C@@H](C)C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000309998503 169359203 /nfs/dbraw/zinc/35/92/03/169359203.db2.gz DAALAVUGFGAKOI-GFCCVEGCSA-N 2 0 228.380 1.469 20 0 BDADRP CCC[C@@H]([NH3+])C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000037001334 169391429 /nfs/dbraw/zinc/39/14/29/169391429.db2.gz JTMOWPVPXGWPLH-VXGBXAGGSA-N 2 0 243.395 1.206 20 0 BDADRP CCC[C@@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000036999118 169390971 /nfs/dbraw/zinc/39/09/71/169390971.db2.gz FVKSRTGKUPTNGI-VXGBXAGGSA-N 2 0 241.379 1.104 20 0 BDADRP CO[C@H](C)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000182063030 134341731 /nfs/dbraw/zinc/34/17/31/134341731.db2.gz IWOGLEGJZJQABP-CYBMUJFWSA-N 2 0 240.391 1.829 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000331912460 169554281 /nfs/dbraw/zinc/55/42/81/169554281.db2.gz GBDFRPZGBARYSJ-UPJWGTAASA-N 2 0 228.380 1.787 20 0 BDADRP CCC(CC)C[N@H+](C)CCOCC[NH3+] ZINC000301019967 383828174 /nfs/dbraw/zinc/82/81/74/383828174.db2.gz JQFFPIDKHBDNNG-UHFFFAOYSA-N 2 0 202.342 1.330 20 0 BDADRP CC(C)N(C)C[C@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000309312756 383869550 /nfs/dbraw/zinc/86/95/50/383869550.db2.gz FMRDEDTUDKXRNO-OLZOCXBDSA-N 2 0 229.412 1.822 20 0 BDADRP C[C@H](CN[C@@H](C)c1ccccn1)C[NH+](C)C ZINC000293836813 383869857 /nfs/dbraw/zinc/86/98/57/383869857.db2.gz WTGCVUIYSPJRIH-NEPJUHHUSA-N 2 0 221.348 1.930 20 0 BDADRP CC(C)[C@H](c1nc([C@@H]2CCC[NH2+]2)no1)[C@@H](C)[NH3+] ZINC000647144018 383832409 /nfs/dbraw/zinc/83/24/09/383832409.db2.gz JQIBPGJBLBTFQB-UTLUCORTSA-N 2 0 238.335 1.581 20 0 BDADRP C[C@H]1OCC[C@@H]1[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000336420611 383834508 /nfs/dbraw/zinc/83/45/08/383834508.db2.gz WPWOAJWJVJIADI-RISCZKNCSA-N 2 0 238.375 1.770 20 0 BDADRP CC[C@H](O)[C@H](CC)[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000313123524 383913412 /nfs/dbraw/zinc/91/34/12/383913412.db2.gz WHNMLOCYQVGGBQ-XCCSTKFXSA-N 2 0 240.391 1.751 20 0 BDADRP CC[C@H](O)[C@H](CC)[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000313131326 383923650 /nfs/dbraw/zinc/92/36/50/383923650.db2.gz CAKGOTJRCRKNKN-VOAKCMCISA-N 2 0 228.380 1.608 20 0 BDADRP C1[C@@H](c2nc([C@H]3CCC[NH2+]3)no2)C12CC[NH2+]CC2 ZINC000647148709 383896918 /nfs/dbraw/zinc/89/69/18/383896918.db2.gz VRLQOCUZMJHGKN-VHSXEESVSA-N 2 0 248.330 1.351 20 0 BDADRP CCC[C@](C)([NH3+])c1nc(C[C@H](C)[NH2+]C)no1 ZINC000569361513 383899997 /nfs/dbraw/zinc/89/99/97/383899997.db2.gz CMYPJWODGYGVGP-KWQFWETISA-N 2 0 226.324 1.194 20 0 BDADRP C[NH+](C)CCN(CC[NH+](C)C)CC(C)(C)C ZINC000558417149 383993078 /nfs/dbraw/zinc/99/30/78/383993078.db2.gz WXDFJGLUPUCPPM-UHFFFAOYSA-N 2 0 229.412 1.458 20 0 BDADRP C[C@@H](CCCCO)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000643541907 383941471 /nfs/dbraw/zinc/94/14/71/383941471.db2.gz PNFBDJXBWJKEAB-QWHCGFSZSA-N 2 0 228.380 1.659 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@@H](O)CC)CC1 ZINC000049555453 383955316 /nfs/dbraw/zinc/95/53/16/383955316.db2.gz LMWSKFQXKOEZDG-LBPRGKRZSA-N 2 0 214.353 1.221 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000518515549 383974413 /nfs/dbraw/zinc/97/44/13/383974413.db2.gz BSVGLIXLEWNVFT-ZIHBUVQPSA-N 3 0 239.407 1.719 20 0 BDADRP CCSCC[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000163141465 384005100 /nfs/dbraw/zinc/00/51/00/384005100.db2.gz JJZAOMFPFCVFCV-ZJUUUORDSA-N 2 0 202.367 1.409 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCC[NH2+]C2)C1 ZINC000643545434 384008285 /nfs/dbraw/zinc/00/82/85/384008285.db2.gz UCILWVBNVLATRL-JHJVBQTASA-N 2 0 226.364 1.676 20 0 BDADRP C[C@H]1C[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)CO1 ZINC000647217614 384043039 /nfs/dbraw/zinc/04/30/39/384043039.db2.gz YEQMQQXOJMFATE-JQWIXIFHSA-N 2 0 231.299 1.601 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)CO1 ZINC000647217435 384040008 /nfs/dbraw/zinc/04/00/08/384040008.db2.gz QLBQEZWKHXXDGL-JHJVBQTASA-N 2 0 226.364 1.485 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H]2CN(C)C[C@H]2C)CC1 ZINC000569483583 384109965 /nfs/dbraw/zinc/10/99/65/384109965.db2.gz HXRCRZKSRFGDOS-TZMCWYRMSA-N 3 0 239.407 1.258 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CC[C@H](C)C1 ZINC000300244270 384230081 /nfs/dbraw/zinc/23/00/81/384230081.db2.gz WVGLFCBRFWMVDT-AVGNSLFASA-N 2 0 228.380 1.766 20 0 BDADRP COC1(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)CCCC1 ZINC000319230002 384213803 /nfs/dbraw/zinc/21/38/03/384213803.db2.gz VBNXAYLFBAIROM-RYUDHWBXSA-N 2 0 226.364 1.615 20 0 BDADRP CCN(C)CC[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000132881969 384215373 /nfs/dbraw/zinc/21/53/73/384215373.db2.gz HQTRZPFBSBEPTJ-NWDGAFQWSA-N 2 0 225.380 1.153 20 0 BDADRP CC(C)(CCCO)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000227919307 134399324 /nfs/dbraw/zinc/39/93/24/134399324.db2.gz VLVBEXKFOLTPPI-QWHCGFSZSA-N 2 0 242.407 1.892 20 0 BDADRP C[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])c1nccs1 ZINC000235484026 384250388 /nfs/dbraw/zinc/25/03/88/384250388.db2.gz TWDBSVVZTXHDOX-MXWKQRLJSA-N 2 0 239.388 1.964 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)CO1 ZINC000401903756 384250566 /nfs/dbraw/zinc/25/05/66/384250566.db2.gz SFBUIIVWPOJFIH-RYUDHWBXSA-N 2 0 226.364 1.485 20 0 BDADRP COC1(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)CCCC1 ZINC000319525200 384259206 /nfs/dbraw/zinc/25/92/06/384259206.db2.gz ZMAQXUGLGQBFNS-CHWSQXEVSA-N 2 0 240.391 1.862 20 0 BDADRP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)COC)C1 ZINC000174218528 384305874 /nfs/dbraw/zinc/30/58/74/384305874.db2.gz BMYLVIBLLSEFOK-STQMWFEESA-N 2 0 228.380 1.685 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000168745495 384306484 /nfs/dbraw/zinc/30/64/84/384306484.db2.gz MAACSOSLJVWSMA-IJLUTSLNSA-N 2 0 212.337 1.286 20 0 BDADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCCOC)C1 ZINC000174219500 384307741 /nfs/dbraw/zinc/30/77/41/384307741.db2.gz NIFMGLIZMHVNQO-ZDUSSCGKSA-N 2 0 228.380 1.687 20 0 BDADRP CCC[C@@H]1C[N@H+](CCn2ccnc2)CCO1 ZINC000133732260 384310906 /nfs/dbraw/zinc/31/09/06/384310906.db2.gz YVGTVZXNWNYTRN-GFCCVEGCSA-N 2 0 223.320 1.384 20 0 BDADRP CCOCC[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000173919811 384286896 /nfs/dbraw/zinc/28/68/96/384286896.db2.gz WUXOEDFJLXNEBG-GFCCVEGCSA-N 2 0 214.353 1.297 20 0 BDADRP [NH3+]C[C@H]1CCCN(Cc2cncs2)C1 ZINC000095072563 384343427 /nfs/dbraw/zinc/34/34/27/384343427.db2.gz JQFIHNUESDYILQ-SECBINFHSA-N 2 0 211.334 1.314 20 0 BDADRP Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cn1 ZINC000228859976 384347350 /nfs/dbraw/zinc/34/73/50/384347350.db2.gz JKJUWQZSVRBYSR-DGCLKSJQSA-N 2 0 219.332 1.559 20 0 BDADRP Cc1cc(C)c(C[NH2+][C@@H](C)CCC[NH3+])cn1 ZINC000397494625 384360259 /nfs/dbraw/zinc/36/02/59/384360259.db2.gz OBQNDACHFHISOP-NSHDSACASA-N 2 0 221.348 1.915 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCOCC(F)(F)F ZINC000405479349 384370217 /nfs/dbraw/zinc/37/02/17/384370217.db2.gz MTCHZHMVAIYMKW-SFYZADRCSA-N 2 0 240.269 1.281 20 0 BDADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCCSC2)CC1 ZINC000335600506 384370915 /nfs/dbraw/zinc/37/09/15/384370915.db2.gz DDKVNDVSAZEPKF-LBPRGKRZSA-N 2 0 226.389 1.734 20 0 BDADRP CCC(C)(C)[C@H](C)[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000556453765 384392483 /nfs/dbraw/zinc/39/24/83/384392483.db2.gz CLDZQYWLURAICC-AAEUAGOBSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1cnn(C)c1 ZINC000045664327 384401793 /nfs/dbraw/zinc/40/17/93/384401793.db2.gz OOABRYUKQOHHFN-NSHDSACASA-N 2 0 224.352 1.413 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCO[C@H]1C ZINC000096033401 384424616 /nfs/dbraw/zinc/42/46/16/384424616.db2.gz SXUCXWPDDGONGB-NWDGAFQWSA-N 2 0 214.353 1.485 20 0 BDADRP C[C@@H]1OCC[C@H]1[NH2+]CC(C)(C)C[NH+](C)C ZINC000096033412 384425049 /nfs/dbraw/zinc/42/50/49/384425049.db2.gz QXZOUSARSUBJQP-WDEREUQCSA-N 2 0 214.353 1.341 20 0 BDADRP CSCCC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000084222159 384377571 /nfs/dbraw/zinc/37/75/71/384377571.db2.gz LCQVAGOWDGZYGU-UWVGGRQHSA-N 2 0 202.367 1.457 20 0 BDADRP CCOCCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000084217915 384378335 /nfs/dbraw/zinc/37/83/35/384378335.db2.gz KOJDKZMTTXSZKC-MNOVXSKESA-N 2 0 200.326 1.130 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)[C@]2(C)CCC[NH2+]2)c1 ZINC000648180350 384461563 /nfs/dbraw/zinc/46/15/63/384461563.db2.gz YWIPZXISXSQRHO-AWEZNQCLSA-N 2 0 247.342 1.534 20 0 BDADRP C([C@@H]1CCSC1)[N@@H+]1CCC[NH2+]CC1 ZINC000224608770 384477711 /nfs/dbraw/zinc/47/77/11/384477711.db2.gz SQZJOEKVRLIRFV-JTQLQIEISA-N 2 0 200.351 1.035 20 0 BDADRP [NH3+]C[C@H]1CCC[N@H+](C[C@@H]2CCSC2)C1 ZINC000224609900 384478407 /nfs/dbraw/zinc/47/84/07/384478407.db2.gz ALGJTEJIFNXTPV-MNOVXSKESA-N 2 0 214.378 1.410 20 0 BDADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CO[C@H](C)C2)CC1 ZINC000647179770 384530657 /nfs/dbraw/zinc/53/06/57/384530657.db2.gz ODHZMAZPQWSBRY-OCCSQVGLSA-N 2 0 240.391 1.875 20 0 BDADRP CCOCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000151149610 384546474 /nfs/dbraw/zinc/54/64/74/384546474.db2.gz HDXXEGMXZACHTO-AWEZNQCLSA-N 2 0 240.391 1.973 20 0 BDADRP C[C@H](CO)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000151172128 384551940 /nfs/dbraw/zinc/55/19/40/384551940.db2.gz DDCOLLYEAURDQP-GFCCVEGCSA-N 2 0 240.391 1.754 20 0 BDADRP CC[N@H+](CC[C@H]1CC[NH2+]C1)C[C@@H]1CCOC1 ZINC000643056836 384557932 /nfs/dbraw/zinc/55/79/32/384557932.db2.gz ZDBYVPUTSRMIOG-OLZOCXBDSA-N 2 0 226.364 1.344 20 0 BDADRP Cc1nnsc1CN[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000309785678 384608867 /nfs/dbraw/zinc/60/88/67/384608867.db2.gz SMCKBGYYVPUGIS-SCZZXKLOSA-N 2 0 240.376 1.276 20 0 BDADRP CSCCC[N@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000300867124 384616162 /nfs/dbraw/zinc/61/61/62/384616162.db2.gz QCOIPHMYJMJLKO-NSHDSACASA-N 2 0 216.394 1.671 20 0 BDADRP CC(C)CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000037859700 384619693 /nfs/dbraw/zinc/61/96/93/384619693.db2.gz BETFOLDBEPHDFA-GFCCVEGCSA-N 2 0 214.353 1.079 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1CC(O)C1 ZINC000084446292 384621890 /nfs/dbraw/zinc/62/18/90/384621890.db2.gz ABPQBBIGZHMTTR-KRDKVTMHSA-N 2 0 226.364 1.076 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CCC(C)([NH3+])CC1 ZINC000647530810 384623360 /nfs/dbraw/zinc/62/33/60/384623360.db2.gz HMEUDWUCQWLTPX-NSHDSACASA-N 2 0 213.369 1.173 20 0 BDADRP C[NH+](C)CCC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403320174 384629289 /nfs/dbraw/zinc/62/92/89/384629289.db2.gz AODSBGFHXDMBCX-FRRDWIJNSA-N 2 0 210.365 1.964 20 0 BDADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000449589911 384629832 /nfs/dbraw/zinc/62/98/32/384629832.db2.gz KNZDLKUYDJVKKA-NNYUYHANSA-N 2 0 241.379 1.136 20 0 BDADRP CC1(C[NH2+][C@H]2CCCN(CCCO)C2)CC1 ZINC000518081347 384666535 /nfs/dbraw/zinc/66/65/35/384666535.db2.gz JVAMLAXERSQWDQ-LBPRGKRZSA-N 2 0 226.364 1.223 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2=CC[N@H+](C)CC2)CCO1 ZINC000309809389 384637029 /nfs/dbraw/zinc/63/70/29/384637029.db2.gz TVRMEVCSVAESAC-DGCLKSJQSA-N 2 0 224.348 1.405 20 0 BDADRP CCOC[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000086403766 384646673 /nfs/dbraw/zinc/64/66/73/384646673.db2.gz UVQUYAJAHVVLPX-GARJFASQSA-N 2 0 200.326 1.271 20 0 BDADRP CCCCOCC[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000049262557 384677001 /nfs/dbraw/zinc/67/70/01/384677001.db2.gz CNNOVNFCSBQOGR-LBPRGKRZSA-N 2 0 214.353 1.474 20 0 BDADRP CN1CCC[C@H]1C[NH2+][C@@H]1CCOC1(C)C ZINC000335919968 384711834 /nfs/dbraw/zinc/71/18/34/384711834.db2.gz LNVHTKBRACTAIQ-WDEREUQCSA-N 2 0 212.337 1.238 20 0 BDADRP [NH3+]CCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543233 384713119 /nfs/dbraw/zinc/71/31/19/384713119.db2.gz JTMPWXFWGRHZDY-CHWSQXEVSA-N 3 0 225.380 1.047 20 0 BDADRP CO[C@H](C)CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000336750797 384716264 /nfs/dbraw/zinc/71/62/64/384716264.db2.gz ZVMNIFBXRFQKPQ-FDYHWXHSSA-N 2 0 228.380 1.730 20 0 BDADRP C[C@]1(c2ccccc2)CC[N@H+](CCOCC[NH3+])C1 ZINC000357075518 384776786 /nfs/dbraw/zinc/77/67/86/384776786.db2.gz NMTUNCKOTRLASZ-HNNXBMFYSA-N 2 0 248.370 1.625 20 0 BDADRP CCC([NH3+])(CC)CN[C@H]1C[NH2+]C[C@@H](C)C1 ZINC000647546159 384730244 /nfs/dbraw/zinc/73/02/44/384730244.db2.gz BMOMFCAXFYFBLK-WDEREUQCSA-N 2 0 213.369 1.092 20 0 BDADRP FC1(F)CCC[N@H+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000259007127 384736596 /nfs/dbraw/zinc/73/65/96/384736596.db2.gz XJJDGWDWBVESQN-SNVBAGLBSA-N 2 0 218.291 1.717 20 0 BDADRP C(C[NH2+]C1CC1)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647547730 384749844 /nfs/dbraw/zinc/74/98/44/384749844.db2.gz ATUPVBFUWCKZCY-OUCADQQQSA-N 3 0 237.391 1.106 20 0 BDADRP FC1CCC(C[NH2+][C@@H]2CC[NH2+]C2)CC1 ZINC000647553332 384767380 /nfs/dbraw/zinc/76/73/80/384767380.db2.gz SVUFWANMXJNDDB-VQXHTEKXSA-N 2 0 200.301 1.466 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000647553361 384769225 /nfs/dbraw/zinc/76/92/25/384769225.db2.gz WDUUPGIMUHVSBU-UHFFFAOYSA-N 3 0 233.359 1.235 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000647554108 384772052 /nfs/dbraw/zinc/77/20/52/384772052.db2.gz RAAARWDFPBFJLE-QWHCGFSZSA-N 2 0 239.407 1.624 20 0 BDADRP CCN(C[C@@H]1CCCO1)CC(C)(C)[NH3+] ZINC000042471387 384816056 /nfs/dbraw/zinc/81/60/56/384816056.db2.gz DJUDCELLHOOOTO-JTQLQIEISA-N 2 0 200.326 1.225 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CC[C@H](C)O1 ZINC000398171769 384827349 /nfs/dbraw/zinc/82/73/49/384827349.db2.gz PATQNNNYQIQBDP-GRYCIOLGSA-N 2 0 214.353 1.661 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1cnccc1N ZINC000423358592 384833461 /nfs/dbraw/zinc/83/34/61/384833461.db2.gz BWUNWJBSYKKCDH-AXFHLTTASA-N 2 0 234.347 1.415 20 0 BDADRP Cc1c([C@H](C)[NH2+][C@H](C)CCCC[NH3+])cnn1C ZINC000336668215 384781222 /nfs/dbraw/zinc/78/12/22/384781222.db2.gz AFJXOYIJEBNUET-MNOVXSKESA-N 2 0 238.379 1.897 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C2CCC(C[NH+](C)C)CC2)CO1 ZINC000647196386 384788942 /nfs/dbraw/zinc/78/89/42/384788942.db2.gz ZOTXBLPNEUOSEC-GFJIZPEISA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H](C[NH2+]Cc1ccco1)N1CC[NH+](C)CC1 ZINC000053486224 384791447 /nfs/dbraw/zinc/79/14/47/384791447.db2.gz YQGBEOIGIANJDJ-LBPRGKRZSA-N 2 0 237.347 1.005 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)C1 ZINC000581141699 384793345 /nfs/dbraw/zinc/79/33/45/384793345.db2.gz AADXZFJTRMKATR-RFQIPJPRSA-N 2 0 240.391 1.645 20 0 BDADRP CC[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1cnn(C)c1 ZINC000423372218 384836309 /nfs/dbraw/zinc/83/63/09/384836309.db2.gz GXFAWKORQFTFES-AVGNSLFASA-N 2 0 236.363 1.731 20 0 BDADRP CCSCC[NH2+]CC1=CC[N@H+](C)CC1 ZINC000308630333 384878690 /nfs/dbraw/zinc/87/86/90/384878690.db2.gz YPSWMULYNGKKNT-UHFFFAOYSA-N 2 0 214.378 1.591 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](CO)CC1 ZINC000339754709 384881158 /nfs/dbraw/zinc/88/11/58/384881158.db2.gz UYMZUKKINSODCI-CQSZACIVSA-N 2 0 242.407 1.813 20 0 BDADRP CSC1(C[NH2+][C@@H](C)CCC[NH3+])CCC1 ZINC000308642204 384881365 /nfs/dbraw/zinc/88/13/65/384881365.db2.gz DRBOIPMLLXUZMX-JTQLQIEISA-N 2 0 216.394 1.989 20 0 BDADRP COC(C)(C)[C@@H](C)[NH2+]CCC[NH+](C)C ZINC000301029233 384839075 /nfs/dbraw/zinc/83/90/75/384839075.db2.gz UCJHUXOUJVBESK-SNVBAGLBSA-N 2 0 202.342 1.341 20 0 BDADRP COC[C@H]1CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000234800732 384844834 /nfs/dbraw/zinc/84/48/34/384844834.db2.gz XGIVGZHYCHZQTP-STQMWFEESA-N 2 0 226.364 1.344 20 0 BDADRP CC(C)CCOCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000310120874 384844953 /nfs/dbraw/zinc/84/49/53/384844953.db2.gz DOTMKUBCLKMNJJ-KBPBESRZSA-N 2 0 240.391 1.590 20 0 BDADRP CC(C)n1nccc1CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000335165685 384848368 /nfs/dbraw/zinc/84/83/68/384848368.db2.gz HFMPFIPQKLVXLD-CHWSQXEVSA-N 2 0 248.374 1.505 20 0 BDADRP O=C1OCC[C@@]12CCC[N@@H+]2CCCn1ccnc1 ZINC000186620086 384859087 /nfs/dbraw/zinc/85/90/87/384859087.db2.gz CRDSVOLIWXHWQB-ZDUSSCGKSA-N 2 0 249.314 1.055 20 0 BDADRP CC[NH2+]CCCNC(=O)[C@H]([NH3+])c1ccccc1C ZINC000557171225 384861661 /nfs/dbraw/zinc/86/16/61/384861661.db2.gz DYWFRDCXFOVQQU-CYBMUJFWSA-N 2 0 249.358 1.111 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ncc[nH]1 ZINC000423426491 384867614 /nfs/dbraw/zinc/86/76/14/384867614.db2.gz PLCSZLPLDHBSOJ-IJLUTSLNSA-N 2 0 236.363 1.825 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ncc[nH]1 ZINC000423426494 384868948 /nfs/dbraw/zinc/86/89/48/384868948.db2.gz PLCSZLPLDHBSOJ-SRVKXCTJSA-N 2 0 236.363 1.825 20 0 BDADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CO[C@H](C)C1 ZINC000647200900 384892899 /nfs/dbraw/zinc/89/28/99/384892899.db2.gz MIKXSZJMLOTYQU-CHWSQXEVSA-N 2 0 244.379 1.112 20 0 BDADRP Cc1ccc(C[NH+]2CCC([C@H](C)[NH3+])CC2)nc1 ZINC000156598918 384905952 /nfs/dbraw/zinc/90/59/52/384905952.db2.gz CQEHYKVNGBAHPE-LBPRGKRZSA-N 2 0 233.359 1.949 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)[C@H](C)O)C[NH+]1CCCCC1 ZINC000564843553 384959031 /nfs/dbraw/zinc/95/90/31/384959031.db2.gz AOZYGAPPPHXJTD-AGIUHOORSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2CCCCO2)C[C@@H]1C[NH3+] ZINC000167651723 384914594 /nfs/dbraw/zinc/91/45/94/384914594.db2.gz DGHGXRJPSCUGGR-AGIUHOORSA-N 2 0 226.364 1.472 20 0 BDADRP COC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(C)C ZINC000400942631 533095655 /nfs/dbraw/zinc/09/56/55/533095655.db2.gz DMAFVNUZHBRDKH-RQJABVFESA-N 2 0 240.391 1.635 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1=CC[NH+](C)CC1 ZINC000336145832 384923045 /nfs/dbraw/zinc/92/30/45/384923045.db2.gz NKWMORNLNRXPAB-OCCSQVGLSA-N 3 0 237.391 1.178 20 0 BDADRP CN1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400989538 384959682 /nfs/dbraw/zinc/95/96/82/384959682.db2.gz XSTVEHIHMGUNOC-IGQOVBAYSA-N 2 0 237.391 1.058 20 0 BDADRP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@@H](C)O)c1 ZINC000644526881 384935545 /nfs/dbraw/zinc/93/55/45/384935545.db2.gz GZQSEEHLQBITRR-GFCCVEGCSA-N 2 0 236.359 1.609 20 0 BDADRP COc1ccc(C[NH2+]C[C@@H](C)C[NH3+])cc1 ZINC000258840981 384947556 /nfs/dbraw/zinc/94/75/56/384947556.db2.gz WFIZRMBGARVVAI-JTQLQIEISA-N 2 0 208.305 1.380 20 0 BDADRP C[C@H](O)C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000644568295 384967337 /nfs/dbraw/zinc/96/73/37/384967337.db2.gz HEMYRVIHBOBJDS-JTQLQIEISA-N 2 0 240.322 1.358 20 0 BDADRP c1cc(CCCN2CCC[NH2+]CC2)cs1 ZINC000107527349 384976138 /nfs/dbraw/zinc/97/61/38/384976138.db2.gz HGNDXVYCTASTHF-UHFFFAOYSA-N 2 0 224.373 1.976 20 0 BDADRP CC[C@H]1CCCC[N@@H+]1C[C@@H](O)CN(C)C1CC1 ZINC000310331597 384987124 /nfs/dbraw/zinc/98/71/24/384987124.db2.gz KEBUNFJGQSXZFA-JSGCOSHPSA-N 2 0 240.391 1.706 20 0 BDADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](C)O)C1 ZINC000644603624 384996641 /nfs/dbraw/zinc/99/66/41/384996641.db2.gz HIKOODPGHKDNSQ-OLZOCXBDSA-N 2 0 228.380 1.325 20 0 BDADRP CC(C)([NH3+])CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000336225509 384997732 /nfs/dbraw/zinc/99/77/32/384997732.db2.gz LHZKJADGCKSMIK-LBPRGKRZSA-N 2 0 225.380 1.284 20 0 BDADRP C[C@@H]([NH3+])CN1CC[NH+](Cc2ccccc2)CC1 ZINC000019401756 385000487 /nfs/dbraw/zinc/00/04/87/385000487.db2.gz HERRMNLUNPHMHU-CYBMUJFWSA-N 2 0 233.359 1.151 20 0 BDADRP C[C@@H](c1ncc[nH]1)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423515925 385012851 /nfs/dbraw/zinc/01/28/51/385012851.db2.gz WDPBFXXNWIIIHH-JFGNBEQYSA-N 2 0 222.336 1.387 20 0 BDADRP C[C@@H]1C[C@H](C)N(Cc2ccns2)C[C@@H]1C[NH3+] ZINC000404472529 385016113 /nfs/dbraw/zinc/01/61/13/385016113.db2.gz SIYWXXOEJHEMNF-VWYCJHECSA-N 2 0 239.388 1.948 20 0 BDADRP [NH3+]CC[C@@H]1CCCCN1Cc1ccns1 ZINC000404486504 385020652 /nfs/dbraw/zinc/02/06/52/385020652.db2.gz CFYZSPSKMRJYEK-JTQLQIEISA-N 2 0 225.361 1.846 20 0 BDADRP CC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)OC ZINC000310419283 385051123 /nfs/dbraw/zinc/05/11/23/385051123.db2.gz NXGFSTFYWAASPE-AAVRWANBSA-N 2 0 240.391 1.922 20 0 BDADRP Cc1cnccc1C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000404795528 385074019 /nfs/dbraw/zinc/07/40/19/385074019.db2.gz SRQOTAVRTJZVKN-VXGBXAGGSA-N 2 0 219.332 1.605 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccco1 ZINC000086700503 385038887 /nfs/dbraw/zinc/03/88/87/385038887.db2.gz QMSHOABGYBFYSW-JTQLQIEISA-N 2 0 208.305 1.930 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1cccnc1 ZINC000086700301 385041471 /nfs/dbraw/zinc/04/14/71/385041471.db2.gz GUHJZTRIRUXXLH-NSHDSACASA-N 2 0 219.332 1.732 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CO1 ZINC000647207132 385043496 /nfs/dbraw/zinc/04/34/96/385043496.db2.gz YONQOYXFZBSXFI-YPMHNXCESA-N 2 0 238.375 1.628 20 0 BDADRP CO[C@@](C)(C[NH2+]CCC[NH+]1CCCC1)C1CC1 ZINC000310531841 385108081 /nfs/dbraw/zinc/10/80/81/385108081.db2.gz ODYOZHKNTOHHOJ-AWEZNQCLSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@H](c1ccco1)N(C)C ZINC000310547574 385109897 /nfs/dbraw/zinc/10/98/97/385109897.db2.gz SVHUTMKQCNIJQY-VXGBXAGGSA-N 2 0 239.363 1.599 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000310547571 385110381 /nfs/dbraw/zinc/11/03/81/385110381.db2.gz SVHUTMKQCNIJQY-NEPJUHHUSA-N 2 0 239.363 1.599 20 0 BDADRP C[NH+](C)CCC[NH2+][C@@H]1CCCSC1 ZINC000061571372 385122466 /nfs/dbraw/zinc/12/24/66/385122466.db2.gz QVNVTJOAMNKSPR-SNVBAGLBSA-N 2 0 202.367 1.423 20 0 BDADRP C[N@H+](CCCCO)CC[C@@H]1CCCC[NH+]1C ZINC000304313255 385123587 /nfs/dbraw/zinc/12/35/87/385123587.db2.gz NBUVFOPEKJWTRN-ZDUSSCGKSA-N 2 0 228.380 1.565 20 0 BDADRP Cc1ccc(O)c(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000227451876 385139854 /nfs/dbraw/zinc/13/98/54/385139854.db2.gz YOQVYSIBRKWZDV-NWDGAFQWSA-N 2 0 249.358 1.655 20 0 BDADRP CO[C@](C)(C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C1CC1 ZINC000310486019 385086419 /nfs/dbraw/zinc/08/64/19/385086419.db2.gz DXRZHMLBGLGBSG-MRVWCRGKSA-N 2 0 240.391 1.874 20 0 BDADRP C[NH2+]Cc1ccccc1NC(=O)C1CC[NH2+]CC1 ZINC000566240063 385087647 /nfs/dbraw/zinc/08/76/47/385087647.db2.gz HITJSBGDRRBYHB-UHFFFAOYSA-N 2 0 247.342 1.344 20 0 BDADRP FC1(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000568883150 385098686 /nfs/dbraw/zinc/09/86/86/385098686.db2.gz RRMXAVDYSFQYSV-LBPRGKRZSA-N 2 0 226.339 1.810 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCCN2CC[NH+](C)CC2)[C@@H]1C ZINC000310516910 385101340 /nfs/dbraw/zinc/10/13/40/385101340.db2.gz MOZSUCVUMXMFJB-MCIONIFRSA-N 2 0 239.407 1.258 20 0 BDADRP CC(C)([NH3+])CC(=O)Nc1ccc(C[NH3+])cc1 ZINC000646974952 385102112 /nfs/dbraw/zinc/10/21/12/385102112.db2.gz OVPLFTXZCOZRTF-UHFFFAOYSA-N 2 0 221.304 1.211 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@H]1COCC1(C)C ZINC000313026672 385195680 /nfs/dbraw/zinc/19/56/80/385195680.db2.gz IGENAJSBJGGYRY-OLZOCXBDSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H]1CCCCO1 ZINC000252710690 385199708 /nfs/dbraw/zinc/19/97/08/385199708.db2.gz HKAYVYSDAUZCST-JHJVBQTASA-N 2 0 226.364 1.485 20 0 BDADRP CC[C@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000246289073 385144937 /nfs/dbraw/zinc/14/49/37/385144937.db2.gz NDCNSUWVEIGFDW-YPMHNXCESA-N 2 0 226.364 1.485 20 0 BDADRP CC1(C)COC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000313014950 385147441 /nfs/dbraw/zinc/14/74/41/385147441.db2.gz WZUUOYDAZPPBIS-XQQFMLRXSA-N 2 0 238.375 1.628 20 0 BDADRP CC1(C)COC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000313014946 385148091 /nfs/dbraw/zinc/14/80/91/385148091.db2.gz WZUUOYDAZPPBIS-AVGNSLFASA-N 2 0 238.375 1.628 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1COCC1(C)C ZINC000313015204 385154869 /nfs/dbraw/zinc/15/48/69/385154869.db2.gz FISJDJUBDBTWGF-WDEREUQCSA-N 2 0 214.353 1.519 20 0 BDADRP CCN1CCC([N@H+](C)C[C@@H]2CCCO2)CC1 ZINC000157430689 385178847 /nfs/dbraw/zinc/17/88/47/385178847.db2.gz LZJVEAQDUAAAMB-ZDUSSCGKSA-N 2 0 226.364 1.582 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)NCC(C)(C)C[NH+](C)C ZINC000037621157 385232994 /nfs/dbraw/zinc/23/29/94/385232994.db2.gz PLYKVONIPKOUGF-CYBMUJFWSA-N 2 0 243.395 1.208 20 0 BDADRP C[C@@H]1CN(C)C[C@H]1[NH2+]CC1(CF)CCOCC1 ZINC000449488448 385235581 /nfs/dbraw/zinc/23/55/81/385235581.db2.gz HFFDFZSZOUABDX-VXGBXAGGSA-N 2 0 244.354 1.292 20 0 BDADRP CSCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000068997653 385240107 /nfs/dbraw/zinc/24/01/07/385240107.db2.gz DWMMZQFDISMOQQ-YOGCLGLASA-N 2 0 228.405 1.954 20 0 BDADRP CC(C)CCOCC[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000045107893 385246879 /nfs/dbraw/zinc/24/68/79/385246879.db2.gz DDDFNYSWDSWCIQ-LBPRGKRZSA-N 2 0 214.353 1.330 20 0 BDADRP COCCC[C@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000178414157 385250399 /nfs/dbraw/zinc/25/03/99/385250399.db2.gz NOHSXVDIMFKZHO-ZDUSSCGKSA-N 2 0 228.380 1.877 20 0 BDADRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)C1CCOCC1 ZINC000178414948 385250792 /nfs/dbraw/zinc/25/07/92/385250792.db2.gz BLWAEIPAXDRRAJ-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCCC[NH2+]1 ZINC000333342315 385251761 /nfs/dbraw/zinc/25/17/61/385251761.db2.gz YJSAPJLKDFNBFJ-RVMXOQNASA-N 2 0 225.380 1.377 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000252711247 385205216 /nfs/dbraw/zinc/20/52/16/385205216.db2.gz IYRVQPZFDDFCSY-QJPTWQEYSA-N 2 0 214.353 1.341 20 0 BDADRP Cc1ccncc1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000228061606 385323917 /nfs/dbraw/zinc/32/39/17/385323917.db2.gz BRVDKLXWFRIASM-NEPJUHHUSA-N 2 0 219.332 1.559 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@@H]1CCSC1 ZINC000045662959 385273269 /nfs/dbraw/zinc/27/32/69/385273269.db2.gz ZLKBCYWDRQPOAK-SNVBAGLBSA-N 2 0 202.367 1.423 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCc2cn[nH]c2)CC[N@@H+]1C ZINC000289740574 385331789 /nfs/dbraw/zinc/33/17/89/385331789.db2.gz KOXMEOLSQLDEGO-ZYHUDNBSSA-N 2 0 222.336 1.025 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c[nH]nc3C2)CCN1C ZINC000361982568 385389012 /nfs/dbraw/zinc/38/90/12/385389012.db2.gz RJKVJBSYUMXYAX-RAIGVLPGSA-N 2 0 248.374 1.339 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]C[C@@H](C)c1ccccc1 ZINC000308991708 385336480 /nfs/dbraw/zinc/33/64/80/385336480.db2.gz OCZJKDAUXUDCDH-VXGBXAGGSA-N 2 0 206.333 1.975 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@@H]2CCN(C)C[C@H]21)C1CC1 ZINC000425455240 385338454 /nfs/dbraw/zinc/33/84/54/385338454.db2.gz HPZBJNROEZEAKL-IACUBPJLSA-N 2 0 238.375 1.437 20 0 BDADRP C[NH+](C)C1(CN[C@@H]2CCC[C@H]2C[NH3+])CCC1 ZINC000165169616 385357218 /nfs/dbraw/zinc/35/72/18/385357218.db2.gz ICZJRZDZSFWYFR-NWDGAFQWSA-N 3 0 225.380 1.188 20 0 BDADRP CC(C)COCCC[NH2+][C@H](C)CCC[NH3+] ZINC000309010682 385358247 /nfs/dbraw/zinc/35/82/47/385358247.db2.gz OVCNYCQLKVCSHP-GFCCVEGCSA-N 2 0 216.369 1.766 20 0 BDADRP C[C@@H](C[NH3+])N(C)Cc1ccccc1-n1cncn1 ZINC000647496054 385384439 /nfs/dbraw/zinc/38/44/39/385384439.db2.gz HHQMKWZPXXVPQU-NSHDSACASA-N 2 0 245.330 1.046 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000309174186 385449812 /nfs/dbraw/zinc/44/98/12/385449812.db2.gz MCSKUUHSZTXCMF-SRVKXCTJSA-N 2 0 214.353 1.077 20 0 BDADRP COCC[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000405302665 385467448 /nfs/dbraw/zinc/46/74/48/385467448.db2.gz JJYINSDIMXYAOS-AEJSXWLSSA-N 2 0 200.326 1.127 20 0 BDADRP C[C@H](C[NH2+]C[C@@H]1CCCOC1)C[NH+]1CCCC1 ZINC000111320512 385501254 /nfs/dbraw/zinc/50/12/54/385501254.db2.gz UIINNTMWFSNSFA-KGLIPLIRSA-N 2 0 240.391 1.735 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)CCC(C)(C)[NH3+])c1 ZINC000647669569 385537934 /nfs/dbraw/zinc/53/79/34/385537934.db2.gz XMBDQPFZUJKBJK-UHFFFAOYSA-N 2 0 249.358 1.862 20 0 BDADRP CCCCOCC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000309341003 385540314 /nfs/dbraw/zinc/54/03/14/385540314.db2.gz KQMXDFIIXMRCLB-QWHCGFSZSA-N 2 0 226.364 1.344 20 0 BDADRP CCCCOCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000309340994 385540692 /nfs/dbraw/zinc/54/06/92/385540692.db2.gz KQMXDFIIXMRCLB-CHWSQXEVSA-N 2 0 226.364 1.344 20 0 BDADRP CCCCOCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000309341008 385540919 /nfs/dbraw/zinc/54/09/19/385540919.db2.gz KQMXDFIIXMRCLB-STQMWFEESA-N 2 0 226.364 1.344 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@](C)(CC)OC)C1 ZINC000319097773 385543283 /nfs/dbraw/zinc/54/32/83/385543283.db2.gz WAQQDGXQDHINTG-OLZOCXBDSA-N 2 0 228.380 1.733 20 0 BDADRP CC[NH+](CC)CCOCC[NH2+][C@H](C)C(C)C ZINC000336778153 385520332 /nfs/dbraw/zinc/52/03/32/385520332.db2.gz KMTOWJPVXBLQKP-CYBMUJFWSA-N 2 0 230.396 1.979 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]Cc1cccc2c1OCO2 ZINC000309412199 385573443 /nfs/dbraw/zinc/57/34/43/385573443.db2.gz WUVDPSPTOJLZQD-SECBINFHSA-N 2 0 222.288 1.100 20 0 BDADRP CN(CC[NH3+])Cc1ccc2c(c1)CCO2 ZINC000054417056 385582861 /nfs/dbraw/zinc/58/28/61/385582861.db2.gz YVCNXZRCPAJWFG-UHFFFAOYSA-N 2 0 206.289 1.012 20 0 BDADRP CS[C@H](C)C[NH2+][C@H](C)CCCC[NH3+] ZINC000308133933 385619729 /nfs/dbraw/zinc/61/97/29/385619729.db2.gz MMJKJABAYMTWNF-NXEZZACHSA-N 2 0 204.383 1.845 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CCc1ccncc1 ZINC000336651772 385635028 /nfs/dbraw/zinc/63/50/28/385635028.db2.gz IBGFBVSXFPJOPO-LBPRGKRZSA-N 2 0 221.348 1.731 20 0 BDADRP c1ccc([C@@H]2C[C@H]2C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000643366997 385655008 /nfs/dbraw/zinc/65/50/08/385655008.db2.gz SNWZRFUMKOMUEL-JJXSEGSLSA-N 2 0 242.366 1.941 20 0 BDADRP CC(C)C[C@@H](CO)[NH2+][C@@H](C)CCC[NH3+] ZINC000336684394 385671899 /nfs/dbraw/zinc/67/18/99/385671899.db2.gz JYGITHGGRRJHHR-QWRGUYRKSA-N 2 0 202.342 1.110 20 0 BDADRP CCCCN(C)CC[NH2+]CC[C@@H]1CCOC1 ZINC000336735311 385695508 /nfs/dbraw/zinc/69/55/08/385695508.db2.gz LQGFYDNOWMXEFR-CYBMUJFWSA-N 2 0 228.380 1.735 20 0 BDADRP CC(C)C[C@@H](CN)[NH2+][C@H]1CCCOCC1 ZINC000414856383 385711019 /nfs/dbraw/zinc/71/10/19/385711019.db2.gz YUBLRZDLUMHGAW-RYUDHWBXSA-N 2 0 214.353 1.519 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000336734378 385666527 /nfs/dbraw/zinc/66/65/27/385666527.db2.gz KWFXWXMJGSRBQV-AGIUHOORSA-N 2 0 228.380 1.610 20 0 BDADRP C[NH2+]CCCN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000414858004 385729793 /nfs/dbraw/zinc/72/97/93/385729793.db2.gz HDFYCOFSBINTSQ-STQMWFEESA-N 2 0 227.396 1.496 20 0 BDADRP C[NH2+]CCC[NH2+]C/C=C\c1ccccc1OC ZINC000414857717 385732266 /nfs/dbraw/zinc/73/22/66/385732266.db2.gz FKGOAGAHDQJRMN-YVMONPNESA-N 2 0 234.343 1.908 20 0 BDADRP C[NH2+]CCC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000414859135 385741275 /nfs/dbraw/zinc/74/12/75/385741275.db2.gz MDOOUABWQZYBGD-UHFFFAOYSA-N 2 0 247.386 1.855 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000414860715 385743606 /nfs/dbraw/zinc/74/36/06/385743606.db2.gz QIYZDKXSDGUWNR-UTUOFQBUSA-N 2 0 224.348 1.143 20 0 BDADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCCOCC2)CC1 ZINC000309615184 385744158 /nfs/dbraw/zinc/74/41/58/385744158.db2.gz COVPQOMSAMBRLE-CYBMUJFWSA-N 2 0 224.348 1.407 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CCCO1 ZINC000336696450 385746038 /nfs/dbraw/zinc/74/60/38/385746038.db2.gz TXINPOGOFVWWRQ-WDEREUQCSA-N 2 0 200.326 1.273 20 0 BDADRP C([NH2+][C@H]1CCSC1)C1CC[NH+](C2CC2)CC1 ZINC000309598148 385726985 /nfs/dbraw/zinc/72/69/85/385726985.db2.gz JDUOSPMFPVMQKC-LBPRGKRZSA-N 2 0 240.416 1.956 20 0 BDADRP C[NH2+]CCC[NH2+]CCCc1ccc(C)nc1 ZINC000414857283 385727358 /nfs/dbraw/zinc/72/73/58/385727358.db2.gz CLOLNYMPPOVQBY-UHFFFAOYSA-N 2 0 221.348 1.522 20 0 BDADRP O[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647799716 385802504 /nfs/dbraw/zinc/80/25/04/385802504.db2.gz OSLLZSVYYPYVPX-XVIXHAIJSA-N 2 0 238.375 1.125 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCC(C)(F)F ZINC000394867172 385804790 /nfs/dbraw/zinc/80/47/90/385804790.db2.gz DCSRVYIDGBWYKE-NXEZZACHSA-N 2 0 220.307 1.962 20 0 BDADRP CC[NH2+]CCC[NH2+][C@H](C)c1cccc(CO)c1 ZINC000521423195 385806077 /nfs/dbraw/zinc/80/60/77/385806077.db2.gz ZOJFEQRPRHWZPD-GFCCVEGCSA-N 2 0 236.359 1.829 20 0 BDADRP COC[C@@]1(C[NH2+]C2CCC(C)CC2)CCC[NH2+]1 ZINC000414948013 385806232 /nfs/dbraw/zinc/80/62/32/385806232.db2.gz WJFJABANWXLLRQ-RUXDESIVSA-N 2 0 240.391 1.923 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](C)CC(F)F ZINC000647800832 385809904 /nfs/dbraw/zinc/80/99/04/385809904.db2.gz LFPJOTNNNVFPHG-UWVGGRQHSA-N 2 0 238.322 1.621 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000336714524 385811163 /nfs/dbraw/zinc/81/11/63/385811163.db2.gz PCJAMCARSXPKSC-UONOGXRCSA-N 2 0 241.423 1.968 20 0 BDADRP CCOCC[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397307855 385817173 /nfs/dbraw/zinc/81/71/73/385817173.db2.gz HTLFHJKDZMOTFV-TUAOUCFPSA-N 2 0 214.353 1.328 20 0 BDADRP CCCC[C@@H](C)[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000414952466 385825949 /nfs/dbraw/zinc/82/59/49/385825949.db2.gz IHUZNYAWAJBUNT-CHWSQXEVSA-N 2 0 228.380 1.923 20 0 BDADRP CCCC[C@H](C)[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000414952470 385826235 /nfs/dbraw/zinc/82/62/35/385826235.db2.gz IHUZNYAWAJBUNT-QWHCGFSZSA-N 2 0 228.380 1.923 20 0 BDADRP COC[C@@H](CC(C)C)[NH2+]C[C@H](C)C[NH3+] ZINC000414869217 385836473 /nfs/dbraw/zinc/83/64/73/385836473.db2.gz AIOCOPPCTLABLQ-GHMZBOCLSA-N 2 0 202.342 1.232 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)CCO1 ZINC000414954328 385837027 /nfs/dbraw/zinc/83/70/27/385837027.db2.gz SOCSITFHXMAWHB-REWJHTLYSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]1SCC[C@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000647803998 385840850 /nfs/dbraw/zinc/84/08/50/385840850.db2.gz HKIFBXOHLWCYQR-WNYYMSAVSA-N 2 0 228.405 1.988 20 0 BDADRP C[C@H]1C[C@H](NCC[NH2+]C(C)(C)C)CC[NH2+]1 ZINC000414956267 385841471 /nfs/dbraw/zinc/84/14/71/385841471.db2.gz VCRHZTYZZZYRDO-WDEREUQCSA-N 2 0 213.369 1.105 20 0 BDADRP CC[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cnn(C)c1 ZINC000271911264 385858789 /nfs/dbraw/zinc/85/87/89/385858789.db2.gz XXSVWNBYWHEOBS-CQSZACIVSA-N 2 0 248.374 1.723 20 0 BDADRP COc1cccc(C[C@@H](C)[NH2+]C[C@@H](C)C[NH3+])n1 ZINC000414874197 385884257 /nfs/dbraw/zinc/88/42/57/385884257.db2.gz IMUCDMZQNZVDHO-WDEREUQCSA-N 2 0 237.347 1.206 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+]C[C@@H]1CCO[C@@H](CC)C1 ZINC000414962916 385889695 /nfs/dbraw/zinc/88/96/95/385889695.db2.gz SXXKKZDUAZQFNG-UPJWGTAASA-N 2 0 228.380 1.779 20 0 BDADRP C[C@@H]1CN(CCCC2CC[NH2+]CC2)C[C@@H](C)[NH2+]1 ZINC000647841619 385890346 /nfs/dbraw/zinc/89/03/46/385890346.db2.gz FUFAEKQVCYSTLM-CHWSQXEVSA-N 2 0 239.407 1.448 20 0 BDADRP C[N@H+](CCC[NH3+])CCCc1ccsc1 ZINC000647847369 385896299 /nfs/dbraw/zinc/89/62/99/385896299.db2.gz MCABSURHYVZNPP-UHFFFAOYSA-N 2 0 212.362 1.961 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+]CC2([NH3+])CCC2)CCO1 ZINC000414876174 385905597 /nfs/dbraw/zinc/90/55/97/385905597.db2.gz KWELMALXZXHYBZ-VXGBXAGGSA-N 2 0 226.364 1.663 20 0 BDADRP C([NH2+][C@H]1CCCC12CCOCC2)[C@H]1CCC[NH2+]1 ZINC000335033081 385921806 /nfs/dbraw/zinc/92/18/06/385921806.db2.gz OMBRXTSFGUODGO-OLZOCXBDSA-N 2 0 238.375 1.677 20 0 BDADRP CC[NH+](CC)CCC[N@H+](CC)CCOC ZINC000338234244 385924508 /nfs/dbraw/zinc/92/45/08/385924508.db2.gz LJOLABHPNQIAPB-UHFFFAOYSA-N 2 0 216.369 1.687 20 0 BDADRP CC[C@@](C)(O)C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000189104090 385927031 /nfs/dbraw/zinc/92/70/31/385927031.db2.gz WUJNDXZNHCFPMZ-CYBMUJFWSA-N 2 0 228.380 1.610 20 0 BDADRP COc1cccc(C[C@H](C)[NH2+]CC2([NH3+])CCC2)n1 ZINC000414872922 385870630 /nfs/dbraw/zinc/87/06/30/385870630.db2.gz GNWRMISWQPLEQA-NSHDSACASA-N 2 0 249.358 1.492 20 0 BDADRP C[C@@H]1CCCN(C(=O)CCC(C)(C)[NH3+])[C@@H]1C[NH3+] ZINC000647819614 385871249 /nfs/dbraw/zinc/87/12/49/385871249.db2.gz HZHZOPAEBYPHTQ-GHMZBOCLSA-N 2 0 241.379 1.090 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+]C[C@@H]1CCSC1 ZINC000414959103 385872321 /nfs/dbraw/zinc/87/23/21/385872321.db2.gz PMTJBIZWGSPMGR-ZJUUUORDSA-N 2 0 202.367 1.327 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CN(C)C[C@H]1C)c1nccs1 ZINC000336726104 385875285 /nfs/dbraw/zinc/87/52/85/385875285.db2.gz BOEWYXIYBSRRHZ-GMTAPVOTSA-N 2 0 239.388 1.786 20 0 BDADRP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H](C)C[NH3+])CC2 ZINC000414873679 385877632 /nfs/dbraw/zinc/87/76/32/385877632.db2.gz HSPSCQZOVMTXCT-RISCZKNCSA-N 2 0 248.370 1.737 20 0 BDADRP C([NH2+]C1CCSCC1)[C@@H]1CCC[NH2+]C1 ZINC000220692229 385975392 /nfs/dbraw/zinc/97/53/92/385975392.db2.gz WSKZZDWTJGCAFX-SNVBAGLBSA-N 2 0 214.378 1.471 20 0 BDADRP CO[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH2+]CC1 ZINC000335020800 385979938 /nfs/dbraw/zinc/97/99/38/385979938.db2.gz AZQFVKZGOLJJHJ-RYUDHWBXSA-N 2 0 212.337 1.286 20 0 BDADRP C1CC1[C@H]1CCC[C@H]([NH2+][C@@H]2CC[NH2+]C2)C1 ZINC000414881386 385990547 /nfs/dbraw/zinc/99/05/47/385990547.db2.gz KYOBMOLBSDIICD-RWMBFGLXSA-N 2 0 208.349 1.907 20 0 BDADRP CC[NH+](CC)CCC[N@H+](CCO)CC1CC1 ZINC000338238671 385932707 /nfs/dbraw/zinc/93/27/07/385932707.db2.gz VHFYMSNANMHGQO-UHFFFAOYSA-N 2 0 228.380 1.423 20 0 BDADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@H]1CCCNC1 ZINC000414878569 385933419 /nfs/dbraw/zinc/93/34/19/385933419.db2.gz ZYENGEABNQMRKW-VZANTVGXSA-N 2 0 237.391 1.234 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000414060130 385937018 /nfs/dbraw/zinc/93/70/18/385937018.db2.gz JBKLKXWHORIXLA-JHJVBQTASA-N 2 0 228.380 1.589 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccoc1 ZINC000335046080 385941235 /nfs/dbraw/zinc/94/12/35/385941235.db2.gz ZLVBXAYNKZGRLC-JQWIXIFHSA-N 2 0 208.305 1.757 20 0 BDADRP CC[C@H]([NH2+]CCC[N@H+](C)CCOC)[C@@H]1C[C@@H]1C ZINC000414075136 385948117 /nfs/dbraw/zinc/94/81/17/385948117.db2.gz XKDHJOCPQRCINS-MJBXVCDLSA-N 2 0 242.407 1.979 20 0 BDADRP C([NH2+][C@H]1CCCC12CCCC2)[C@H]1CNCCO1 ZINC000335052531 385952330 /nfs/dbraw/zinc/95/23/30/385952330.db2.gz SLPHDOKOTGWKDY-OLZOCXBDSA-N 2 0 238.375 1.677 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@H]2CCCOC2)CC1 ZINC000335054173 385953773 /nfs/dbraw/zinc/95/37/73/385953773.db2.gz NMPNSHKFQZAAMA-MCIGGMRASA-N 2 0 212.337 1.273 20 0 BDADRP CC1([NH3+])CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000647924807 385958804 /nfs/dbraw/zinc/95/88/04/385958804.db2.gz LMQQFJBROMWQAZ-UHFFFAOYSA-N 2 0 225.380 1.189 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN[C@H]1CC[NH2+]CC1(C)C ZINC000414969107 385960562 /nfs/dbraw/zinc/96/05/62/385960562.db2.gz ITAYNOJWKMSYOQ-NEPJUHHUSA-N 2 0 227.396 1.338 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@@H]1NCC1([NH3+])CCCCCC1 ZINC000335058783 385960674 /nfs/dbraw/zinc/96/06/74/385960674.db2.gz KGITZXKPMRLODA-OLZOCXBDSA-N 2 0 239.407 1.578 20 0 BDADRP CC[C@@H](C)[NH2+]CCOCC[NH+](CC)CC ZINC000336742357 385963587 /nfs/dbraw/zinc/96/35/87/385963587.db2.gz WXDMCZJDKYZOHV-GFCCVEGCSA-N 2 0 216.369 1.733 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCC12CCCC2)C1C[NH2+]C1 ZINC000335012239 385969747 /nfs/dbraw/zinc/96/97/47/385969747.db2.gz XHBUYVLCQBEANY-ZYHUDNBSSA-N 2 0 208.349 1.907 20 0 BDADRP C[NH+]1CCC(O)(C[NH2+]Cc2cccs2)CC1 ZINC000265897401 386007234 /nfs/dbraw/zinc/00/72/34/386007234.db2.gz SYSNFLLNRNUJTI-UHFFFAOYSA-N 2 0 240.372 1.294 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCCO1 ZINC000414176988 386019428 /nfs/dbraw/zinc/01/94/28/386019428.db2.gz IQLNSFNCARFFNK-IHRRRGAJSA-N 2 0 240.391 1.875 20 0 BDADRP COC[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000414182138 386023546 /nfs/dbraw/zinc/02/35/46/386023546.db2.gz MYSRDXCEWUHUGW-JSGCOSHPSA-N 2 0 240.391 1.733 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@H]1C)C(C)(C)O ZINC000340503788 386028690 /nfs/dbraw/zinc/02/86/90/386028690.db2.gz PFHIAGGGCDURBL-RTXFEEFZSA-N 2 0 240.391 1.608 20 0 BDADRP CC[C@@H]([NH3+])CNCc1cnc2cccc(C)n12 ZINC000414976958 386029824 /nfs/dbraw/zinc/02/98/24/386029824.db2.gz IWMXDZGMFNNHQT-LLVKDONJSA-N 2 0 232.331 1.470 20 0 BDADRP CC[C@H]([NH3+])CNCc1cnc2cccc(C)n12 ZINC000414976959 386029938 /nfs/dbraw/zinc/02/99/38/386029938.db2.gz IWMXDZGMFNNHQT-NSHDSACASA-N 2 0 232.331 1.470 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(CC3CC3)C2)CS1 ZINC000638582289 386033848 /nfs/dbraw/zinc/03/38/48/386033848.db2.gz MBZMFOXFDAHYDS-WXHSDQCUSA-N 2 0 240.416 1.954 20 0 BDADRP COC[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)C(C)C ZINC000414196821 386034243 /nfs/dbraw/zinc/03/42/43/386034243.db2.gz WDYXFFHACJEEEC-KGLIPLIRSA-N 2 0 242.407 1.979 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(CC3CC3)C2)CS1 ZINC000638582287 386035287 /nfs/dbraw/zinc/03/52/87/386035287.db2.gz MBZMFOXFDAHYDS-RAIGVLPGSA-N 2 0 240.416 1.954 20 0 BDADRP C([NH2+]CC1CC[NH+](C2CC2)CC1)C1CC1 ZINC000336749647 385996881 /nfs/dbraw/zinc/99/68/81/385996881.db2.gz FCQIAUASUNYLIV-UHFFFAOYSA-N 2 0 208.349 1.860 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000414148304 385996931 /nfs/dbraw/zinc/99/69/31/385996931.db2.gz RWAXPOQXPYSROJ-QSLWVIQJSA-N 2 0 240.391 1.872 20 0 BDADRP [NH3+][C@@H](C[NH2+]C1Cc2ccccc2C1)C1CC1 ZINC000414889170 386110264 /nfs/dbraw/zinc/11/02/64/386110264.db2.gz KXXPQGNTYYXPJK-AWEZNQCLSA-N 2 0 216.328 1.481 20 0 BDADRP CCCC[N@H+](CCO)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414666173 386117802 /nfs/dbraw/zinc/11/78/02/386117802.db2.gz FWXYHRVGHBGOGE-OLZOCXBDSA-N 2 0 228.380 1.469 20 0 BDADRP C[NH2+]C[C@@H]1CCCN(C[C@H]([NH3+])CC(C)C)C1 ZINC000414651157 386071179 /nfs/dbraw/zinc/07/11/79/386071179.db2.gz FGYXTOPHTUSGHY-QWHCGFSZSA-N 2 0 227.396 1.291 20 0 BDADRP Cc1ccn2c(C[NH2+]C[C@H](C)C[NH3+])cnc2c1 ZINC000414887193 386088020 /nfs/dbraw/zinc/08/80/20/386088020.db2.gz ZBKGCXIMAVCUST-LLVKDONJSA-N 2 0 232.331 1.327 20 0 BDADRP CC[N@@H+]1CC[C@@H](NCC2([NH3+])CCC2)[C@H](C)C1 ZINC000414887763 386095564 /nfs/dbraw/zinc/09/55/64/386095564.db2.gz ZLHIHZWLKBTVNQ-VXGBXAGGSA-N 3 0 225.380 1.188 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000414663383 386097332 /nfs/dbraw/zinc/09/73/32/386097332.db2.gz RKNOUODISAHTCG-UTUOFQBUSA-N 2 0 213.369 1.029 20 0 BDADRP CCCN(C[C@@H]([NH3+])CC(C)C)[C@H]1CC[NH2+]C1 ZINC000414676219 386150109 /nfs/dbraw/zinc/15/01/09/386150109.db2.gz RVWPUBYCSMOFGQ-STQMWFEESA-N 2 0 227.396 1.434 20 0 BDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H]1CC[NH2+]C1 ZINC000414893218 386150896 /nfs/dbraw/zinc/15/08/96/386150896.db2.gz YSQLWJCGNZOSCU-UPJWGTAASA-N 2 0 225.380 1.249 20 0 BDADRP CC(C)C[C@H](CO)[N@H+](C)CCn1ccnc1 ZINC000274838185 386157106 /nfs/dbraw/zinc/15/71/06/386157106.db2.gz CFBRFHPCHVBMSI-GFCCVEGCSA-N 2 0 225.336 1.222 20 0 BDADRP CN(CC[NH3+])CCOc1cccc(F)c1 ZINC000077304957 386160679 /nfs/dbraw/zinc/16/06/79/386160679.db2.gz DJVLCTVWPZUSSN-UHFFFAOYSA-N 2 0 212.268 1.095 20 0 BDADRP C[C@H](C[NH2+]C[C@H]([NH3+])C1CC1)CC1CCOCC1 ZINC000414893609 386161751 /nfs/dbraw/zinc/16/17/51/386161751.db2.gz RTHDGGBVCLHPBI-FZMZJTMJSA-N 2 0 240.391 1.766 20 0 BDADRP CCN(CCC[NH+](C)C)C(=O)C[N@H+](C)C(C)C ZINC000338894372 386169282 /nfs/dbraw/zinc/16/92/82/386169282.db2.gz GZPLBTSDSIDCJM-UHFFFAOYSA-N 2 0 243.395 1.127 20 0 BDADRP CC[C@H]([NH3+])CN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000414995802 386180087 /nfs/dbraw/zinc/18/00/87/386180087.db2.gz WTEYPPFHMINKQA-AGIUHOORSA-N 2 0 227.396 1.624 20 0 BDADRP C[C@H]1C[C@@H](N(C)CC[NH2+]C(C)(C)C)CC[N@@H+]1C ZINC000414692635 386183032 /nfs/dbraw/zinc/18/30/32/386183032.db2.gz CYNCVMQBVQWEAC-STQMWFEESA-N 2 0 241.423 1.789 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)CC[NH2+]1 ZINC000414690635 386185539 /nfs/dbraw/zinc/18/55/39/386185539.db2.gz HXCQMDMVCHNOOU-MCIONIFRSA-N 2 0 239.407 1.258 20 0 BDADRP CCCN(C[C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000414670509 386136916 /nfs/dbraw/zinc/13/69/16/386136916.db2.gz LLBJHASANNODAI-MCIONIFRSA-N 3 0 239.407 1.448 20 0 BDADRP Cc1n[nH]c(C)c1C[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414989932 386137777 /nfs/dbraw/zinc/13/77/77/386137777.db2.gz HYNYKUVFMXFHEA-NWDGAFQWSA-N 2 0 236.363 1.634 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000414671041 386140668 /nfs/dbraw/zinc/14/06/68/386140668.db2.gz LOSUWHATSQAKQH-GRYCIOLGSA-N 2 0 213.369 1.042 20 0 BDADRP CCO[C@H]1C[C@@H]([N@H+](C)CCC[NH3+])C1(C)C ZINC000414697221 386201293 /nfs/dbraw/zinc/20/12/93/386201293.db2.gz IGYCNKWIUHCCRJ-MNOVXSKESA-N 2 0 214.353 1.471 20 0 BDADRP C[C@@H]1CC[C@H](C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)O1 ZINC000310570179 386203179 /nfs/dbraw/zinc/20/31/79/386203179.db2.gz NSJZFQUIVPHELU-YIYPIFLZSA-N 2 0 238.375 1.485 20 0 BDADRP CC(C)COC1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647881204 386207359 /nfs/dbraw/zinc/20/73/59/386207359.db2.gz SAWNAYUJLAODNZ-ZDUSSCGKSA-N 2 0 240.391 1.733 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1[C@H](C)C[NH2+]C[C@@H]1C ZINC000414706621 386221528 /nfs/dbraw/zinc/22/15/28/386221528.db2.gz GQYAXFXFLDDECW-TUAOUCFPSA-N 2 0 213.369 1.042 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCO2)c2ccccc21 ZINC000131916481 386227841 /nfs/dbraw/zinc/22/78/41/386227841.db2.gz NJNJLDKYGPFIOA-ZLKJLUDKSA-N 2 0 232.327 1.900 20 0 BDADRP CCC[C@@](C)(CO)[NH2+]C[C@H]([NH3+])CC(C)C ZINC000414713200 386229631 /nfs/dbraw/zinc/22/96/31/386229631.db2.gz TYFVYYPLPMWDJU-NEPJUHHUSA-N 2 0 216.369 1.501 20 0 BDADRP C[C@@H](Cn1cccn1)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414898509 386230110 /nfs/dbraw/zinc/23/01/10/386230110.db2.gz APGKAQWAUXMHBL-NWDGAFQWSA-N 2 0 222.336 1.003 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[N@H+](C)C[C@H]1C(C)C ZINC000414712227 386230264 /nfs/dbraw/zinc/23/02/64/386230264.db2.gz NLWURXDSBDBKEV-KBPBESRZSA-N 2 0 241.423 1.632 20 0 BDADRP CC[N@H+](CCC[NH3+])CCc1nccs1 ZINC000414715588 386236428 /nfs/dbraw/zinc/23/64/28/386236428.db2.gz YVPPIGHYIRVGFZ-UHFFFAOYSA-N 2 0 213.350 1.356 20 0 BDADRP CN(CC[NH2+]C(C)(C)C)C[C@@H]1CCC[C@@H]1O ZINC000414716490 386239448 /nfs/dbraw/zinc/23/94/48/386239448.db2.gz YCLKMTDSGVRUJV-RYUDHWBXSA-N 2 0 228.380 1.467 20 0 BDADRP COc1ccccc1/C=C/CN(C)[C@@H](C)C[NH3+] ZINC000347141511 386261167 /nfs/dbraw/zinc/26/11/67/386261167.db2.gz WQFXPVGJGDXOJZ-WMADIVHISA-N 2 0 234.343 1.987 20 0 BDADRP COC(=O)C[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)C(C)C ZINC000414694668 386193152 /nfs/dbraw/zinc/19/31/52/386193152.db2.gz DOJTWFYVKUVESY-VXGBXAGGSA-N 2 0 242.363 1.258 20 0 BDADRP CC[NH+]1CCC([NH2+]CC2(C)CC[NH2+]CC2)CC1 ZINC000414902075 386324422 /nfs/dbraw/zinc/32/44/22/386324422.db2.gz KETXATFCBFXBTN-UHFFFAOYSA-N 3 0 239.407 1.450 20 0 BDADRP C[NH+](C)C1CC[NH+](CCC2CCOCC2)CC1 ZINC000336665697 386289389 /nfs/dbraw/zinc/28/93/89/386289389.db2.gz YUPZEFAUUSTRSO-UHFFFAOYSA-N 2 0 240.391 1.829 20 0 BDADRP COC(C)(C)CC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000336668725 386310040 /nfs/dbraw/zinc/31/00/40/386310040.db2.gz RCLVOXKAJDFLAD-LBPRGKRZSA-N 2 0 228.380 1.685 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H](C)N(C)C[C@@H]2C)CC[NH2+]1 ZINC000414740956 386320726 /nfs/dbraw/zinc/32/07/26/386320726.db2.gz LYJQWQGZZFUPOG-YIYPIFLZSA-N 2 0 239.407 1.399 20 0 BDADRP CC[N@H+](C)[C@@H](C(=O)NCCC[NH3+])c1ccccc1 ZINC000236885449 386322461 /nfs/dbraw/zinc/32/24/61/386322461.db2.gz ADCQCUMVBCSRSQ-CYBMUJFWSA-N 2 0 249.358 1.144 20 0 BDADRP CC[N@H+](C)[C@H](C(=O)NCCC[NH3+])c1ccccc1 ZINC000236887607 386323182 /nfs/dbraw/zinc/32/31/82/386323182.db2.gz ADCQCUMVBCSRSQ-ZDUSSCGKSA-N 2 0 249.358 1.144 20 0 BDADRP CC[C@H](COC)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000297601283 386266942 /nfs/dbraw/zinc/26/69/42/386266942.db2.gz UKXBXFCUYVGDRY-GFCCVEGCSA-N 2 0 233.315 1.849 20 0 BDADRP C(CN1CC[C@H]2CC[NH2+][C@@H]2C1)C1CC[NH2+]CC1 ZINC000647987719 386277797 /nfs/dbraw/zinc/27/77/97/386277797.db2.gz TWMDYDOBQVEDNY-ZIAGYGMSSA-N 2 0 237.391 1.060 20 0 BDADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC000336682206 386339985 /nfs/dbraw/zinc/33/99/85/386339985.db2.gz CZXNOYAFBGSPQK-UONOGXRCSA-N 2 0 240.391 1.687 20 0 BDADRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC000336682204 386341357 /nfs/dbraw/zinc/34/13/57/386341357.db2.gz CZXNOYAFBGSPQK-KGLIPLIRSA-N 2 0 240.391 1.687 20 0 BDADRP COCC[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335278657 386345929 /nfs/dbraw/zinc/34/59/29/386345929.db2.gz LUTRFVZAXMJLSC-LLVKDONJSA-N 2 0 212.337 1.097 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000414746734 386346433 /nfs/dbraw/zinc/34/64/33/386346433.db2.gz SSJHIXSXTIUNTE-AVGNSLFASA-N 2 0 227.396 1.384 20 0 BDADRP C[N@@H+]1CCC[C@H]1CCN1CCC[C@@](F)(CO)C1 ZINC000347351531 386347155 /nfs/dbraw/zinc/34/71/55/386347155.db2.gz XJLNTRMMIDNNRT-STQMWFEESA-N 2 0 244.354 1.267 20 0 BDADRP [NH3+]CCC[N@@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000414747051 386349191 /nfs/dbraw/zinc/34/91/91/386349191.db2.gz RNSAIYCBXLTFNX-ZDUSSCGKSA-N 2 0 244.342 1.632 20 0 BDADRP c1cn(CC[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)cn1 ZINC000336687678 386350978 /nfs/dbraw/zinc/35/09/78/386350978.db2.gz AYSJSKFDRHFTLJ-KBPBESRZSA-N 2 0 249.358 1.632 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+][C@@H](CO)C(C)(C)C)CC[NH2+]1 ZINC000414747158 386351102 /nfs/dbraw/zinc/35/11/02/386351102.db2.gz SYZSMQSSAWJPFO-WOPDTQHZSA-N 2 0 228.380 1.371 20 0 BDADRP C[C@H]1C[C@H](C[NH2+][C@H](CO)C(C)(C)C)CC[NH2+]1 ZINC000414747155 386351136 /nfs/dbraw/zinc/35/11/36/386351136.db2.gz SYZSMQSSAWJPFO-QJPTWQEYSA-N 2 0 228.380 1.371 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H](CO)C(C)(C)C)CC[NH2+]1 ZINC000414747157 386352739 /nfs/dbraw/zinc/35/27/39/386352739.db2.gz SYZSMQSSAWJPFO-UTUOFQBUSA-N 2 0 228.380 1.371 20 0 BDADRP CN(CC[NH+](C)C)Cc1cccc2nccn21 ZINC000289806469 386359768 /nfs/dbraw/zinc/35/97/68/386359768.db2.gz NCSXEQGXSZALBA-UHFFFAOYSA-N 2 0 232.331 1.328 20 0 BDADRP Cc1nn(C)cc1C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414905421 386362332 /nfs/dbraw/zinc/36/23/32/386362332.db2.gz OQVZYNZDHSTWHO-UHFFFAOYSA-N 2 0 236.363 1.208 20 0 BDADRP CCN(CCCO)C[C@H]([NH3+])CC(C)C ZINC000414748954 386364722 /nfs/dbraw/zinc/36/47/22/386364722.db2.gz VLWYFAUFNMCYFA-LLVKDONJSA-N 2 0 202.342 1.064 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000647890116 386366756 /nfs/dbraw/zinc/36/67/56/386366756.db2.gz QQQBNCDINGGDDY-CYBMUJFWSA-N 2 0 238.306 1.548 20 0 BDADRP C[C@H]1C[C@H](C[N@H+](C)C[C@H]2CCCO2)CC[NH2+]1 ZINC000414749740 386367952 /nfs/dbraw/zinc/36/79/52/386367952.db2.gz YTTYXAJJWPTPPX-YNEHKIRRSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H]1[C@H](CO)CC[N@@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414750001 386370320 /nfs/dbraw/zinc/37/03/20/386370320.db2.gz ZEBYDMYOBOWKOP-XQHKEYJVSA-N 2 0 226.364 1.077 20 0 BDADRP C[C@H](CC1CCOCC1)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414906107 386371252 /nfs/dbraw/zinc/37/12/52/386371252.db2.gz OTLCHEFQHFNZTK-TZMCWYRMSA-N 2 0 240.391 1.923 20 0 BDADRP CC[N@@H+]1CC[C@H](NCC[C@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000414906085 386372384 /nfs/dbraw/zinc/37/23/84/386372384.db2.gz ORYNMTRTTLIXDQ-MJBXVCDLSA-N 2 0 239.407 1.448 20 0 BDADRP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000236977348 386333837 /nfs/dbraw/zinc/33/38/37/386333837.db2.gz QGVUFAYQTURSRV-MFKMUULPSA-N 2 0 249.358 1.718 20 0 BDADRP C[C@H](CC1CCOCC1)C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000414767186 386440665 /nfs/dbraw/zinc/44/06/65/386440665.db2.gz IPCQQBHSMYRYRP-DYEKYZERSA-N 2 0 240.391 1.861 20 0 BDADRP c1coc([C@H](CN[C@@H]2CC[NH2+]C2)[NH+]2CCCC2)c1 ZINC000094074809 386443268 /nfs/dbraw/zinc/44/32/68/386443268.db2.gz XAGDAYHERYNIIG-OLZOCXBDSA-N 2 0 249.358 1.368 20 0 BDADRP CCN(CC)Cc1nc([C@H]([NH3+])CC(C)C)no1 ZINC000339387902 386399010 /nfs/dbraw/zinc/39/90/10/386399010.db2.gz QUBVUHQEIPYXNN-SNVBAGLBSA-N 2 0 240.351 1.957 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CCOC2)[C@H](C)C1 ZINC000347431526 386402048 /nfs/dbraw/zinc/40/20/48/386402048.db2.gz ODMAMDIQBDJWDJ-RDBSUJKOSA-N 2 0 240.391 1.733 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](CC2(C)COC2)C1 ZINC000336700888 386402210 /nfs/dbraw/zinc/40/22/10/386402210.db2.gz LNVYGBAHTBVYRS-LBPRGKRZSA-N 2 0 226.364 1.297 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C[C@@H]1O ZINC000414757894 386405806 /nfs/dbraw/zinc/40/58/06/386405806.db2.gz LXUYXGOCNIVZQT-LPWJVIDDSA-N 2 0 226.364 1.077 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCOC[C@@H](C)C2)CC[NH2+]1 ZINC000399116406 386413964 /nfs/dbraw/zinc/41/39/64/386413964.db2.gz DKRFHRWNMCGHJX-XQQFMLRXSA-N 2 0 226.364 1.343 20 0 BDADRP CCOC1CC([N@H+](C)CC[C@H]2CCC[NH+]2C)C1 ZINC000347465381 386415210 /nfs/dbraw/zinc/41/52/10/386415210.db2.gz NXJGXSHWASLAPI-IYXRBSQSSA-N 2 0 240.391 1.970 20 0 BDADRP Cc1ccc(CCC[N@@H+]2CC[C@@H](C[NH3+])C2)cn1 ZINC000339409594 386415989 /nfs/dbraw/zinc/41/59/89/386415989.db2.gz HNPALYLRAXKCSY-AWEZNQCLSA-N 2 0 233.359 1.603 20 0 BDADRP NC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000414909729 386416775 /nfs/dbraw/zinc/41/67/75/386416775.db2.gz CJHGSWGZPZDECA-CHWSQXEVSA-N 2 0 247.342 1.145 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)[C@@]1(CC)CCC[NH2+]1 ZINC000134369392 386426494 /nfs/dbraw/zinc/42/64/94/386426494.db2.gz WCJRQWUMSFFITJ-CYBMUJFWSA-N 2 0 241.379 1.152 20 0 BDADRP CC[C@H]1C[C@H](C)C[N@@H+]1CCN1CC[NH2+]CC1 ZINC000399160971 386428357 /nfs/dbraw/zinc/42/83/57/386428357.db2.gz KTZIUJBFMMYFIE-STQMWFEESA-N 2 0 225.380 1.012 20 0 BDADRP Cc1c(C[N@@H+]2CCCC[C@H]2CC[NH3+])cnn1C ZINC000093651374 386434663 /nfs/dbraw/zinc/43/46/63/386434663.db2.gz MBLDHJWXKMEJHJ-ZDUSSCGKSA-N 2 0 236.363 1.432 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000414766900 386435713 /nfs/dbraw/zinc/43/57/13/386435713.db2.gz IRMYMDFNGMVHQS-FRRDWIJNSA-N 2 0 227.396 1.419 20 0 BDADRP Cc1ncccc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000414787894 386528422 /nfs/dbraw/zinc/52/84/22/386528422.db2.gz CWPFVIUKOZLCHJ-AAEUAGOBSA-N 2 0 219.332 1.607 20 0 BDADRP CCC[C@@H](C)C[NH2+]CCCN1CC[NH2+]CC1 ZINC000414775547 386469722 /nfs/dbraw/zinc/46/97/22/386469722.db2.gz DCDGFDZOGBUTFE-CYBMUJFWSA-N 2 0 227.396 1.308 20 0 BDADRP C[C@@H]1CCC[C@H]([NH2+]CCCN2CC[NH2+]CC2)C1 ZINC000414775390 386470923 /nfs/dbraw/zinc/47/09/23/386470923.db2.gz CKWNQWVLCPUOQJ-KGLIPLIRSA-N 2 0 239.407 1.450 20 0 BDADRP C(C[C@H]1CCC[NH2+]1)[NH2+][C@@H]1CCCSC1 ZINC000414912527 386474884 /nfs/dbraw/zinc/47/48/84/386474884.db2.gz YKKPPDVOWBYLIK-GHMZBOCLSA-N 2 0 214.378 1.614 20 0 BDADRP CC[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000647934504 386476070 /nfs/dbraw/zinc/47/60/70/386476070.db2.gz HKURNNKAVCNNPO-KGLIPLIRSA-N 3 0 239.407 1.435 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CO[C@H](C)C1)c1cnccc1N ZINC000519538367 386480699 /nfs/dbraw/zinc/48/06/99/386480699.db2.gz DLLCHVYVKIIFHK-BBBLOLIVSA-N 2 0 221.304 1.322 20 0 BDADRP CC1(C)CCC[C@@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000414777714 386481678 /nfs/dbraw/zinc/48/16/78/386481678.db2.gz HHGHGHAPVIEYTA-ZDUSSCGKSA-N 2 0 239.407 1.450 20 0 BDADRP CC[NH+](CC)CCCN1C[C@H](C)[NH+](C)[C@@H](C)C1 ZINC000339621218 386491032 /nfs/dbraw/zinc/49/10/32/386491032.db2.gz HGVMTWKUOAYZJC-KBPBESRZSA-N 2 0 241.423 1.743 20 0 BDADRP COC[C@H](CC(C)C)[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000415013146 386494770 /nfs/dbraw/zinc/49/47/70/386494770.db2.gz KIXUXOWJIALDGE-DCAQKATOSA-N 2 0 202.342 1.373 20 0 BDADRP COC[C@H](CC(C)C)[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415043913 386529618 /nfs/dbraw/zinc/52/96/18/386529618.db2.gz SGIMUTFUQFJLOU-AVGNSLFASA-N 2 0 228.380 1.765 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)CC1CCOCC1 ZINC000415016301 386501116 /nfs/dbraw/zinc/50/11/16/386501116.db2.gz CHHXNZGHZRNCSN-VXGBXAGGSA-N 2 0 228.380 1.909 20 0 BDADRP CCCc1csc(CN[C@H](C)[C@@H](C)[NH3+])n1 ZINC000415016743 386502691 /nfs/dbraw/zinc/50/26/91/386502691.db2.gz OQLJPMLDOMZIAZ-RKDXNWHRSA-N 2 0 227.377 1.921 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@H]2CC[NH2+]C2(C)C)CC[NH2+]1 ZINC000415050439 386505611 /nfs/dbraw/zinc/50/56/11/386505611.db2.gz YRZWLMQEFDQTIA-UTUOFQBUSA-N 3 0 225.380 1.105 20 0 BDADRP Cc1ccn2c(C[NH2+]CCCC[NH3+])cnc2c1 ZINC000414914941 386505882 /nfs/dbraw/zinc/50/58/82/386505882.db2.gz YNPSVMYZFWFEOI-UHFFFAOYSA-N 2 0 232.331 1.471 20 0 BDADRP C1CC1[C@H]1CCC[C@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415049117 386506816 /nfs/dbraw/zinc/50/68/16/386506816.db2.gz AOLSAFFQULOVMP-LBELIVKGSA-N 2 0 206.333 1.373 20 0 BDADRP CC(C)[C@@H]1CCC[C@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415042539 386529797 /nfs/dbraw/zinc/52/97/97/386529797.db2.gz SPXAUKPIEYFLBM-KIJLLGNVSA-N 2 0 208.349 1.619 20 0 BDADRP COc1cccc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000415051404 386507823 /nfs/dbraw/zinc/50/78/23/386507823.db2.gz ZKKZLJWROVRADV-DGCLKSJQSA-N 2 0 234.343 1.912 20 0 BDADRP Cn1ncc(Cl)c1C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415051910 386508014 /nfs/dbraw/zinc/50/80/14/386508014.db2.gz ZZBGAFYEXSDVIX-RKDXNWHRSA-N 2 0 242.754 1.291 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@H](C[NH3+])C(C)(C)C ZINC000415052096 386508517 /nfs/dbraw/zinc/50/85/17/386508517.db2.gz HIUPZISPXWXUTH-WDEREUQCSA-N 2 0 215.385 1.323 20 0 BDADRP COC(=O)c1cc(C[NH2+][C@@H](C)CCC[NH3+])c[nH]1 ZINC000415022327 386510631 /nfs/dbraw/zinc/51/06/31/386510631.db2.gz LIEKGMVUIHQFOC-VIFPVBQESA-N 2 0 239.319 1.018 20 0 BDADRP COC(=O)c1coc(C[NH2+][C@@H](C)CCC[NH3+])c1 ZINC000415025879 386513593 /nfs/dbraw/zinc/51/35/93/386513593.db2.gz RXWPUTQHPDSZII-VIFPVBQESA-N 2 0 240.303 1.283 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415026001 386514656 /nfs/dbraw/zinc/51/46/56/386514656.db2.gz ROAILEXKEUZSQL-CYDGBPFRSA-N 2 0 226.364 1.519 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])C2)CCO1 ZINC000415029532 386516844 /nfs/dbraw/zinc/51/68/44/386516844.db2.gz DSQYSFJSOYDSTK-FQUUOJAGSA-N 2 0 240.391 1.907 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCC[NH3+])[C@@H](C)C1 ZINC000415027117 386517071 /nfs/dbraw/zinc/51/70/71/386517071.db2.gz WCNGTPIACMSJLL-AVGNSLFASA-N 3 0 227.396 1.434 20 0 BDADRP COC(=O)c1ccc(C[NH2+][C@@H](C)CCC[NH3+])[nH]1 ZINC000415027074 386517233 /nfs/dbraw/zinc/51/72/33/386517233.db2.gz VXNUCOGXRIKJPI-VIFPVBQESA-N 2 0 239.319 1.018 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)C1CCCCC1 ZINC000415032146 386518546 /nfs/dbraw/zinc/51/85/46/386518546.db2.gz FRMILFHFJCFKDH-TZMCWYRMSA-N 2 0 240.391 1.923 20 0 BDADRP CCCC[C@@H](CC)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415032119 386518950 /nfs/dbraw/zinc/51/89/50/386518950.db2.gz FOCGVMHJYSIBMD-OLZOCXBDSA-N 2 0 228.380 1.923 20 0 BDADRP CCOc1cccc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)n1 ZINC000415033145 386521533 /nfs/dbraw/zinc/52/15/33/386521533.db2.gz IQFWMXFNALLKJA-NEPJUHHUSA-N 2 0 249.358 1.697 20 0 BDADRP CC(C)(C)[NH2+]CCN1CC[NH2+]C(C)(C)C1 ZINC000415033792 386522158 /nfs/dbraw/zinc/52/21/58/386522158.db2.gz CAOCPOSMMBJYIK-UHFFFAOYSA-N 2 0 213.369 1.058 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C1 ZINC000415042071 386527317 /nfs/dbraw/zinc/52/73/17/386527317.db2.gz QEADATFQGKNCQU-UTUOFQBUSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H](CCc1ccsc1)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415041667 386527432 /nfs/dbraw/zinc/52/74/32/386527432.db2.gz RORRHPYFTILHCJ-FTYKPCCVSA-N 2 0 236.384 1.877 20 0 BDADRP Cc1cc(C[NH2+][C@@H](C)CCCC[NH3+])ccn1 ZINC000391157781 386457371 /nfs/dbraw/zinc/45/73/71/386457371.db2.gz RZGDPLHJMWLFSC-NSHDSACASA-N 2 0 221.348 1.997 20 0 BDADRP CC1(C)CC[C@@H]([NH2+]CCCN2CC[NH2+]CC2)C1 ZINC000414774511 386465747 /nfs/dbraw/zinc/46/57/47/386465747.db2.gz BLDITCTZMYLTRW-CYBMUJFWSA-N 2 0 239.407 1.450 20 0 BDADRP CC[N@@H+]1CCCC[C@H]1CNC[C@@]1(C)CC[NH2+]C1 ZINC000415074291 386574348 /nfs/dbraw/zinc/57/43/48/386574348.db2.gz CGCOERKZDCZCHT-KBPBESRZSA-N 2 0 239.407 1.450 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000415076751 386577297 /nfs/dbraw/zinc/57/72/97/386577297.db2.gz BDCLBIHDISQVFH-DGAVXFQQSA-N 2 0 240.391 1.907 20 0 BDADRP C[C@H](N)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977593 386579099 /nfs/dbraw/zinc/57/90/99/386579099.db2.gz DXFXCNBRHWBVCH-AVGNSLFASA-N 2 0 225.380 1.045 20 0 BDADRP CCCC[C@H](COC)[NH2+]C[C@H]([NH3+])C(C)C ZINC000414799330 386581501 /nfs/dbraw/zinc/58/15/01/386581501.db2.gz RDDYFGQWLGEDKL-NEPJUHHUSA-N 2 0 216.369 1.765 20 0 BDADRP COc1cc(CC[NH2+]C2CC[NH2+]CC2)ccc1C ZINC000415078466 386586520 /nfs/dbraw/zinc/58/65/20/386586520.db2.gz GLAKHKRCMGZSON-UHFFFAOYSA-N 2 0 248.370 1.888 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415077475 386586725 /nfs/dbraw/zinc/58/67/25/386586725.db2.gz FGIJORGUXBODJI-JHJVBQTASA-N 2 0 236.363 1.249 20 0 BDADRP CC(C)OCCC[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000415081524 386592508 /nfs/dbraw/zinc/59/25/08/386592508.db2.gz KPRJZFZVKQKRMW-OLZOCXBDSA-N 2 0 228.380 1.779 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000414802366 386594390 /nfs/dbraw/zinc/59/43/90/386594390.db2.gz VOCPZIMCJBHGKP-HZSPNIEDSA-N 3 0 241.423 1.870 20 0 BDADRP C[NH+](C)CC1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000062911894 386531901 /nfs/dbraw/zinc/53/19/01/386531901.db2.gz HTLRVMZNXGHYBH-CQSZACIVSA-N 3 0 239.407 1.260 20 0 BDADRP CN(C)c1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cn1 ZINC000414917466 386532630 /nfs/dbraw/zinc/53/26/30/386532630.db2.gz QQMFRSCMUVWVCN-ZDUSSCGKSA-N 2 0 248.374 1.379 20 0 BDADRP C[C@@H](CCn1cccn1)[NH2+][C@@H](C)CC[NH+](C)C ZINC000353533245 386535211 /nfs/dbraw/zinc/53/52/11/386535211.db2.gz CHVGRPRVNXEYNH-STQMWFEESA-N 2 0 238.379 1.592 20 0 BDADRP CCCC[C@@H]([NH3+])C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000442711731 386535326 /nfs/dbraw/zinc/53/53/26/386535326.db2.gz FLIDJNQCEJQNAH-ZYHUDNBSSA-N 2 0 241.379 1.090 20 0 BDADRP Cc1ccc(CN(C[C@@H](C)[NH3+])CC2CC2)cn1 ZINC000647995387 386539347 /nfs/dbraw/zinc/53/93/47/386539347.db2.gz TUUZYEBXICFOQI-LLVKDONJSA-N 2 0 233.359 1.949 20 0 BDADRP CC(C)(C)[C@@H](C[NH3+])NCc1cccc(C(N)=O)c1 ZINC000415060040 386541596 /nfs/dbraw/zinc/54/15/96/386541596.db2.gz VXYGFIUWYIGYFD-GFCCVEGCSA-N 2 0 249.358 1.249 20 0 BDADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415062713 386545210 /nfs/dbraw/zinc/54/52/10/386545210.db2.gz MVDWWHGMHXKQPA-MEBFFEOJSA-N 2 0 237.391 1.105 20 0 BDADRP CCC[NH+]1CCC(NC[C@@H]([NH3+])C(C)C)CC1 ZINC000414790838 386546460 /nfs/dbraw/zinc/54/64/60/386546460.db2.gz HBQFKLQHPHXTEX-CYBMUJFWSA-N 2 0 227.396 1.434 20 0 BDADRP NC[C@@H]([NH2+]C1CCC([NH3+])CC1)C1CCCC1 ZINC000415068965 386551752 /nfs/dbraw/zinc/55/17/52/386551752.db2.gz RXGKMQWFLLZWNV-WXRRBKDZSA-N 2 0 225.380 1.363 20 0 BDADRP COC[C@@H](CC(C)C)[NH2+]CCC[NH2+]C1CC1 ZINC000415072531 386562757 /nfs/dbraw/zinc/56/27/57/386562757.db2.gz WMQURSBURURFAZ-CYBMUJFWSA-N 2 0 228.380 1.779 20 0 BDADRP CCc1ccccc1[C@H]([NH3+])CNC1CC[NH2+]CC1 ZINC000415072395 386564280 /nfs/dbraw/zinc/56/42/80/386564280.db2.gz YCLWRYSNRBWVAS-OAHLLOKOSA-N 2 0 247.386 1.590 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+]C[C@H]([NH3+])C(C)C)CCO1 ZINC000414796174 386568112 /nfs/dbraw/zinc/56/81/12/386568112.db2.gz NSVWXZBLWPFQPZ-UPJWGTAASA-N 2 0 228.380 1.765 20 0 BDADRP C1CC1[NH+]1CCC(N[C@H]2CCCC[NH2+]C2)CC1 ZINC000335496955 386620551 /nfs/dbraw/zinc/62/05/51/386620551.db2.gz VKGHMHIUOWTGJS-ZDUSSCGKSA-N 2 0 237.391 1.345 20 0 BDADRP Cc1cc(CC[NH2+]C2CC[NH2+]CC2)cc(C)c1O ZINC000415100734 386621613 /nfs/dbraw/zinc/62/16/13/386621613.db2.gz HEBWPAQCLJHJOL-UHFFFAOYSA-N 2 0 248.370 1.893 20 0 BDADRP C[C@@H]([NH3+])c1ccc(CNCC(C)(C)[NH3+])cc1 ZINC000414808994 386623120 /nfs/dbraw/zinc/62/31/20/386623120.db2.gz LQJYSEILVHVFSR-SNVBAGLBSA-N 2 0 221.348 1.533 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)C1CCSCC1 ZINC000335498704 386625523 /nfs/dbraw/zinc/62/55/23/386625523.db2.gz UFAQLSKSNDYUNW-GXSJLCMTSA-N 2 0 214.378 1.470 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414810350 386631085 /nfs/dbraw/zinc/63/10/85/386631085.db2.gz VGPYSMTYPZGKIO-AGIUHOORSA-N 3 0 225.380 1.093 20 0 BDADRP CCCC[C@H](C[NH3+])NC1CC[NH+](CCC)CC1 ZINC000414810298 386631545 /nfs/dbraw/zinc/63/15/45/386631545.db2.gz HTUXMFJQZRMIKI-CQSZACIVSA-N 2 0 241.423 1.968 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCCS1 ZINC000308119333 386633374 /nfs/dbraw/zinc/63/33/74/386633374.db2.gz CGPFCLBNPYBKBB-VHSXEESVSA-N 2 0 202.367 1.599 20 0 BDADRP COc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000049707608 386638049 /nfs/dbraw/zinc/63/80/49/386638049.db2.gz KFNFSPZBMNIOGG-RISCZKNCSA-N 2 0 234.343 1.864 20 0 BDADRP CCC(C)(C)NC(=O)CN[C@@](C)(C[NH3+])C(C)C ZINC000430561732 386639954 /nfs/dbraw/zinc/63/99/54/386639954.db2.gz ABHLHHYUZSGCPD-ZDUSSCGKSA-N 2 0 243.395 1.254 20 0 BDADRP CCC([NH3+])(CC)C[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414812844 386642108 /nfs/dbraw/zinc/64/21/08/386642108.db2.gz SBQHZULQSALDKB-NWDGAFQWSA-N 3 0 227.396 1.482 20 0 BDADRP CCC([NH3+])(CC)C[NH2+][C@@H]1CCCOCC1 ZINC000414815054 386650796 /nfs/dbraw/zinc/65/07/96/386650796.db2.gz WPDSHMUVRGNVQI-LLVKDONJSA-N 2 0 214.353 1.663 20 0 BDADRP Cc1ccc(CN[C@@H](C[NH3+])C2CC2)nc1 ZINC000414803746 386599782 /nfs/dbraw/zinc/59/97/82/386599782.db2.gz NYVXTMNGISTZLR-LBPRGKRZSA-N 2 0 205.305 1.217 20 0 BDADRP [NH3+]C[C@H]1CCCN(CCOCC(F)(F)F)C1 ZINC000049311260 386603707 /nfs/dbraw/zinc/60/37/07/386603707.db2.gz IQKCKTPTWVIGKL-SECBINFHSA-N 2 0 240.269 1.236 20 0 BDADRP C[NH2+][C@H](C)Cc1noc([C@H]2CC[NH2+][C@@H](C)C2)n1 ZINC000520228502 386606654 /nfs/dbraw/zinc/60/66/54/386606654.db2.gz REEZWYGNJYNQDN-UTLUCORTSA-N 2 0 238.335 1.076 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)[C@H]1CCCO1 ZINC000415088205 386607555 /nfs/dbraw/zinc/60/75/55/386607555.db2.gz UYFCAHAUMCBDIG-QNWHQSFQSA-N 2 0 226.364 1.532 20 0 BDADRP CCC([NH3+])(CC)CNC[C@H]1CCC[NH2+]C1 ZINC000414804493 386608332 /nfs/dbraw/zinc/60/83/32/386608332.db2.gz FIVVITOSEJQFLA-NSHDSACASA-N 2 0 213.369 1.093 20 0 BDADRP C(C[NH2+]C1CCCCCC1)N[C@@H]1CC[NH2+]C1 ZINC000414805075 386608748 /nfs/dbraw/zinc/60/87/48/386608748.db2.gz LQXUWMSXOCNEAC-CYBMUJFWSA-N 2 0 225.380 1.250 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000415091382 386611015 /nfs/dbraw/zinc/61/10/15/386611015.db2.gz ZANZZYLVALYNGP-MBNYWOFBSA-N 2 0 242.407 1.761 20 0 BDADRP C[C@@]1(C[NH2+]CCc2ccccc2F)CC[NH2+]C1 ZINC000415093289 386612578 /nfs/dbraw/zinc/61/25/78/386612578.db2.gz VDISFXJZVUFXJM-AWEZNQCLSA-N 2 0 236.334 1.957 20 0 BDADRP C[NH+](C)C1(CNC(=O)C(C)(C)[NH3+])CCCCC1 ZINC000040925003 386660891 /nfs/dbraw/zinc/66/08/91/386660891.db2.gz SMPBGSMDTYQPBD-UHFFFAOYSA-N 2 0 241.379 1.104 20 0 BDADRP C[NH2+]CCN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000414819479 386661168 /nfs/dbraw/zinc/66/11/68/386661168.db2.gz AFJIIQVZOIUHQZ-RYUDHWBXSA-N 2 0 213.369 1.106 20 0 BDADRP CN(CC[C@H]1CCCC[N@@H+]1C)Cc1cnccn1 ZINC000268580696 386665787 /nfs/dbraw/zinc/66/57/87/386665787.db2.gz SZGCTFMGJLDEBT-CQSZACIVSA-N 2 0 248.374 1.783 20 0 BDADRP CN(C[C@@H](O)C[N@H+](C)CC1CCC1)C1CC1 ZINC000336648002 386672382 /nfs/dbraw/zinc/67/23/82/386672382.db2.gz FYXOIAGVVQUILZ-ZDUSSCGKSA-N 2 0 226.364 1.173 20 0 BDADRP FC(F)CN1CCC([NH2+]C[C@H]2CCC[NH2+]2)CC1 ZINC000414821571 386676505 /nfs/dbraw/zinc/67/65/05/386676505.db2.gz CLNIMHWMJATCLZ-LLVKDONJSA-N 2 0 247.333 1.058 20 0 BDADRP Cc1noc([C@@H](C)[N@@H+]2CCC[C@@H](CC[NH3+])C2)n1 ZINC000647951275 386658290 /nfs/dbraw/zinc/65/82/90/386658290.db2.gz UXZFFTDJGGDTMG-KOLCDFICSA-N 2 0 238.335 1.500 20 0 BDADRP COC(=O)C(C)(C)CC[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414827230 386703790 /nfs/dbraw/zinc/70/37/90/386703790.db2.gz GXBMXFMNOSPCJF-NSHDSACASA-N 2 0 242.363 1.165 20 0 BDADRP CC(C)n1cc(CNC[C@@H]2CCC[NH2+]C2)cn1 ZINC000414830568 386705145 /nfs/dbraw/zinc/70/51/45/386705145.db2.gz OXHWCDPWUBCLGD-GFCCVEGCSA-N 2 0 236.363 1.553 20 0 BDADRP C[NH+](C)CCCC[NH2+]CC[C@H]1CCOC1 ZINC000336760260 386708337 /nfs/dbraw/zinc/70/83/37/386708337.db2.gz LRCJUODWYGIFRI-LBPRGKRZSA-N 2 0 214.353 1.344 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+]C[C@H](C)C[NH2+]C)CCO1 ZINC000414838686 386740122 /nfs/dbraw/zinc/74/01/22/386740122.db2.gz LKTKBEOUWTZZEJ-JHJVBQTASA-N 2 0 228.380 1.637 20 0 BDADRP CCC[NH+]1CCC(N[C@H](C[NH3+])CC(C)C)CC1 ZINC000414832036 386718274 /nfs/dbraw/zinc/71/82/74/386718274.db2.gz DAHRDQVTASLFFX-AWEZNQCLSA-N 2 0 241.423 1.824 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1NCc1ccc2c[nH+]cn2c1 ZINC000335536325 386740273 /nfs/dbraw/zinc/74/02/73/386740273.db2.gz PUNJJDNJWYFCFS-RISCZKNCSA-N 2 0 244.342 1.422 20 0 BDADRP C[C@@H]1CCC[C@@H]1[NH2+]CCCN(C)CC[NH+](C)C ZINC000623087813 386723867 /nfs/dbraw/zinc/72/38/67/386723867.db2.gz JOQWKUWIDPCZEK-KGLIPLIRSA-N 2 0 241.423 1.648 20 0 BDADRP CCOC[C@H](C)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414834318 386724127 /nfs/dbraw/zinc/72/41/27/386724127.db2.gz HIBDRDPJCLFFMF-RYUDHWBXSA-N 2 0 214.353 1.391 20 0 BDADRP C[C@@H]1CC2(C[N@@H+]1CC(C)(C)[NH3+])CC[NH2+]CC2 ZINC000335544619 386730037 /nfs/dbraw/zinc/73/00/37/386730037.db2.gz ULRDTCGIGBOPBA-LLVKDONJSA-N 3 0 225.380 1.188 20 0 BDADRP CC[NH2+]CCN[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000414842664 386763293 /nfs/dbraw/zinc/76/32/93/386763293.db2.gz IXFYOTCNTVAZRV-HUUCEWRRSA-N 2 0 247.386 1.679 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000336665439 386768178 /nfs/dbraw/zinc/76/81/78/386768178.db2.gz PNFYAXDPODCSGB-VXGBXAGGSA-N 2 0 225.380 1.330 20 0 BDADRP COC[C@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000336761324 386779797 /nfs/dbraw/zinc/77/97/97/386779797.db2.gz MSDJJIZWIFEOQB-UNXYVOJBSA-N 2 0 214.353 1.484 20 0 BDADRP Cc1n[nH]cc1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414844665 386781349 /nfs/dbraw/zinc/78/13/49/386781349.db2.gz DYSRFSPUCPSOEJ-NSHDSACASA-N 2 0 222.336 1.197 20 0 BDADRP C[C@@H](C[NH3+])NC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000417813694 386782062 /nfs/dbraw/zinc/78/20/62/386782062.db2.gz GLPMCNJDCZFCEQ-CMPLNLGQSA-N 2 0 249.358 1.176 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000417826617 386783432 /nfs/dbraw/zinc/78/34/32/386783432.db2.gz DPQWJBISOUKEHO-ZYHUDNBSSA-N 2 0 241.379 1.008 20 0 BDADRP CC[NH2+]CCN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000414845005 386784415 /nfs/dbraw/zinc/78/44/15/386784415.db2.gz LJJKSHNMQAKJME-STQMWFEESA-N 2 0 227.396 1.496 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]CCCCCO)CC1 ZINC000192932197 386800795 /nfs/dbraw/zinc/80/07/95/386800795.db2.gz WGVBZOGKBKECHN-UHFFFAOYSA-N 2 0 228.380 1.611 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+]C1CCSCC1 ZINC000414935137 386807934 /nfs/dbraw/zinc/80/79/34/386807934.db2.gz ANGVCMDOSPFVDC-SECBINFHSA-N 2 0 202.367 1.470 20 0 BDADRP C[C@@H](CCC[NH3+])NC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000417850172 386808344 /nfs/dbraw/zinc/80/83/44/386808344.db2.gz MCOVLWXBZOOLMG-QWRGUYRKSA-N 2 0 241.379 1.008 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+]C[C@@H](C)CC1CCOCC1 ZINC000414846181 386811620 /nfs/dbraw/zinc/81/16/20/386811620.db2.gz UGKZFXZEOXANAR-QWHCGFSZSA-N 2 0 242.407 1.884 20 0 BDADRP C[NH2+]C[C@@H](C)CNCc1ccc(C(=O)OC)o1 ZINC000414847221 386832144 /nfs/dbraw/zinc/83/21/44/386832144.db2.gz VQLZAYIKKLCWOV-SECBINFHSA-N 2 0 240.303 1.011 20 0 BDADRP C[C@@H](C[NH2+][C@H]1CCOC1(C)C)C[NH+]1CCCC1 ZINC000328275054 386841911 /nfs/dbraw/zinc/84/19/11/386841911.db2.gz XMTGTWIUZOZKDS-STQMWFEESA-N 2 0 240.391 1.875 20 0 BDADRP CSCC1CCC([NH2+][C@@H]2CC[NH2+]C2)CC1 ZINC000395485139 386842106 /nfs/dbraw/zinc/84/21/06/386842106.db2.gz XVUWKSSKNVHWAT-HTAVTVPLSA-N 2 0 228.405 1.860 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)[C@H](C)O1 ZINC000395077003 386845380 /nfs/dbraw/zinc/84/53/80/386845380.db2.gz UKBGYVYPIYUVGQ-GRYCIOLGSA-N 2 0 214.353 1.484 20 0 BDADRP C[C@H]1C[N@H+](Cc2cccc(N)c2)CC[C@H]1[NH3+] ZINC000335747856 386870973 /nfs/dbraw/zinc/87/09/73/386870973.db2.gz VSULNPLIEPXWJD-GXFFZTMASA-N 2 0 219.332 1.438 20 0 BDADRP [NH3+][C@H]1CCC[C@H](C[NH2+]C2CCSCC2)C1 ZINC000334848099 386895873 /nfs/dbraw/zinc/89/58/73/386895873.db2.gz HXCJPJGQKLWXBY-QWRGUYRKSA-N 2 0 228.405 1.989 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)N1CCO[C@@H](C2CCC2)C1 ZINC000334856479 386909007 /nfs/dbraw/zinc/90/90/07/386909007.db2.gz YPNFWGYVXKXAIH-TZMCWYRMSA-N 2 0 238.375 1.487 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000334856054 386909233 /nfs/dbraw/zinc/90/92/33/386909233.db2.gz WCGIGVBPQBGDOQ-QWRGUYRKSA-N 2 0 212.362 1.176 20 0 BDADRP C[C@@H]1[C@H](C(=O)Nc2ccc(C[NH3+])cc2)CC[N@@H+]1C ZINC000648111058 386947250 /nfs/dbraw/zinc/94/72/50/386947250.db2.gz RERQFOHKWAUROM-ZWNOBZJWSA-N 2 0 247.342 1.424 20 0 BDADRP C[C@H](CCO)C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000331959001 386928518 /nfs/dbraw/zinc/92/85/18/386928518.db2.gz KBEXZNOSUMUVBE-WOPDTQHZSA-N 2 0 214.353 1.255 20 0 BDADRP CC[C@@H](CO)[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000332046946 386947873 /nfs/dbraw/zinc/94/78/73/386947873.db2.gz VGJBCXHOFFGEHJ-AXFHLTTASA-N 2 0 200.326 1.007 20 0 BDADRP CSCCC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000368316510 386959296 /nfs/dbraw/zinc/95/92/96/386959296.db2.gz LCXKRVCYFQHVCF-GFCCVEGCSA-N 2 0 228.405 1.767 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CC[C@H]1SC ZINC000425352047 386960913 /nfs/dbraw/zinc/96/09/13/386960913.db2.gz HKGJRQJLAAZVQQ-VXGBXAGGSA-N 2 0 246.420 1.438 20 0 BDADRP CC[NH+](CC)CCN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000368352492 386965425 /nfs/dbraw/zinc/96/54/25/386965425.db2.gz SEBALJGUVFHIGH-AWEZNQCLSA-N 2 0 239.407 1.356 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000395201229 386986177 /nfs/dbraw/zinc/98/61/77/386986177.db2.gz VZVBGVPFLFMIPN-MJBXVCDLSA-N 2 0 241.423 1.837 20 0 BDADRP C[C@H](Cc1ccncc1)[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000358401597 386950527 /nfs/dbraw/zinc/95/05/27/386950527.db2.gz NSQRLCQUAVFYJV-YRGRVCCFSA-N 2 0 233.359 1.552 20 0 BDADRP CC[C@@H]([NH2+]CCCC[NH+](C)C)c1nccn1C ZINC000341703146 386952057 /nfs/dbraw/zinc/95/20/57/386952057.db2.gz CFLWGHWBVPQGKT-GFCCVEGCSA-N 2 0 238.379 1.803 20 0 BDADRP Cc1cc(C)cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000107574344 387032807 /nfs/dbraw/zinc/03/28/07/387032807.db2.gz JLMGPZNSHQDMJR-GASCZTMLSA-N 2 0 230.355 1.955 20 0 BDADRP CC(C)CCC[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000336763833 387038970 /nfs/dbraw/zinc/03/89/70/387038970.db2.gz PQYBYONODFTOHC-LBPRGKRZSA-N 2 0 214.353 1.079 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000107980476 387039422 /nfs/dbraw/zinc/03/94/22/387039422.db2.gz BRSCWPUTIRHHJA-JQWIXIFHSA-N 2 0 222.307 1.995 20 0 BDADRP CCC[C@@H]1CNCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000359214923 387066715 /nfs/dbraw/zinc/06/67/15/387066715.db2.gz HTQSQQADSQMXPE-CQSZACIVSA-N 2 0 239.407 1.450 20 0 BDADRP Cn1cc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])cn1 ZINC000070074065 387042701 /nfs/dbraw/zinc/04/27/01/387042701.db2.gz ROCWLZVMLJSVHT-GFCCVEGCSA-N 2 0 222.336 1.123 20 0 BDADRP [NH3+]CCN1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000334966032 387047462 /nfs/dbraw/zinc/04/74/62/387047462.db2.gz DWKHDETWLHGKEP-LBPRGKRZSA-N 2 0 248.374 1.358 20 0 BDADRP C[C@@H]([NH3+])C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000334966817 387049201 /nfs/dbraw/zinc/04/92/01/387049201.db2.gz GVJQVNWIFQWMML-ZYHUDNBSSA-N 2 0 212.337 1.082 20 0 BDADRP C(C[N@@H+]1CCOCC2(CCC2)C1)[C@H]1CC[NH2+]C1 ZINC000334968754 387053538 /nfs/dbraw/zinc/05/35/38/387053538.db2.gz MGPBRTZMODUWNP-CYBMUJFWSA-N 2 0 238.375 1.489 20 0 BDADRP CC[C@H]1C[N@H+](CCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000359208385 387067280 /nfs/dbraw/zinc/06/72/80/387067280.db2.gz BSKZAIULNQJQPF-JSGCOSHPSA-N 2 0 240.391 1.875 20 0 BDADRP [NH3+]C[C@@H](N[C@@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000333186521 387021091 /nfs/dbraw/zinc/02/10/91/387021091.db2.gz TUAVASWSYYGYMS-ZIAGYGMSSA-N 3 0 239.407 1.626 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)[C@@H]1CCCC[NH2+]1 ZINC000333883481 387071307 /nfs/dbraw/zinc/07/13/07/387071307.db2.gz WRMJQEVCFCZWLT-CYDGBPFRSA-N 3 0 225.380 1.234 20 0 BDADRP CC[C@@H]([NH2+]C[C@H](C)C[NH3+])c1ccc(F)cn1 ZINC000423298488 387130342 /nfs/dbraw/zinc/13/03/42/387130342.db2.gz AEVVFADLBSSOQC-MWLCHTKSSA-N 2 0 225.311 1.856 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCc2cccnc2)C1 ZINC000111695582 387085397 /nfs/dbraw/zinc/08/53/97/387085397.db2.gz RXVCTGGENBYTOL-TZMCWYRMSA-N 2 0 233.359 1.683 20 0 BDADRP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c(C)n1 ZINC000334998440 387091185 /nfs/dbraw/zinc/09/11/85/387091185.db2.gz QLXMNSKOBUDXNM-LBPRGKRZSA-N 2 0 219.332 1.479 20 0 BDADRP C[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc2n[nH]cc2c1 ZINC000335009086 387105282 /nfs/dbraw/zinc/10/52/82/387105282.db2.gz KEODVXHAMVWTTE-JTQLQIEISA-N 2 0 244.342 1.966 20 0 BDADRP [NH3+]C1(C[NH2+]C2CCC(O)CC2)CCCCC1 ZINC000335011554 387107246 /nfs/dbraw/zinc/10/72/46/387107246.db2.gz UWZCKMJVNLIOON-UHFFFAOYSA-N 2 0 226.364 1.541 20 0 BDADRP CN(CC[NH2+]C1CCOCC1)C1CCCC1 ZINC000062767653 387114121 /nfs/dbraw/zinc/11/41/21/387114121.db2.gz YTWPRNVPCVSTQM-UHFFFAOYSA-N 2 0 226.364 1.629 20 0 BDADRP C[N@H+](C[C@@H]1CCC[NH2+]C1)C[C@H]1CCCOC1 ZINC000250379992 387114259 /nfs/dbraw/zinc/11/42/59/387114259.db2.gz JBSFWFKUWFUXIL-CHWSQXEVSA-N 2 0 226.364 1.344 20 0 BDADRP Cc1cncc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000335027368 387120248 /nfs/dbraw/zinc/12/02/48/387120248.db2.gz SQUDUHSSQSJVNE-JSGCOSHPSA-N 2 0 233.359 1.868 20 0 BDADRP CC(C)CC[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000070186258 387120627 /nfs/dbraw/zinc/12/06/27/387120627.db2.gz CDUNZTOFGIPBNV-KGLIPLIRSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000423298685 387129745 /nfs/dbraw/zinc/12/97/45/387129745.db2.gz ARJUZTLXVJRHEX-RNCFNFMXSA-N 2 0 237.322 1.856 20 0 BDADRP C[C@@H]([NH2+]CC1C[NH2+]C1)[C@@H](C)c1ccccc1 ZINC000423306205 387142276 /nfs/dbraw/zinc/14/22/76/387142276.db2.gz SMIHNUIZAUIUHN-VXGBXAGGSA-N 2 0 218.344 1.988 20 0 BDADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)NCC1C[NH2+]C1 ZINC000423310343 387145267 /nfs/dbraw/zinc/14/52/67/387145267.db2.gz AAONRROOJSKBIU-WCQYABFASA-N 2 0 225.380 1.106 20 0 BDADRP CCC1(CC)[C@@H]([NH2+][C@H]2CCCNC2)C[C@@H]1OC ZINC000423309373 387145375 /nfs/dbraw/zinc/14/53/75/387145375.db2.gz ZIIUOURQTVRHHI-AVGNSLFASA-N 2 0 240.391 1.922 20 0 BDADRP CCC[NH2+]CCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000423309900 387145713 /nfs/dbraw/zinc/14/57/13/387145713.db2.gz MLFLUWWGCFCKIY-JHJVBQTASA-N 2 0 227.396 1.304 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000423310250 387146648 /nfs/dbraw/zinc/14/66/48/387146648.db2.gz ROAQLYXUYJCQST-YIYPIFLZSA-N 2 0 240.391 1.766 20 0 BDADRP CCC1(CC)[C@H]([NH2+]C[C@H](C)C[NH3+])C[C@H]1OC ZINC000423312373 387147862 /nfs/dbraw/zinc/14/78/62/387147862.db2.gz UZPKNFUCPQLDKP-IJLUTSLNSA-N 2 0 228.380 1.765 20 0 BDADRP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])C1CCSCC1 ZINC000423310921 387149621 /nfs/dbraw/zinc/14/96/21/387149621.db2.gz SPLZNCOGZIKXDQ-VHSXEESVSA-N 2 0 216.394 1.703 20 0 BDADRP CCC[NH2+]CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000423311024 387149629 /nfs/dbraw/zinc/14/96/29/387149629.db2.gz OWSNKIGPKQGVCU-MJBXVCDLSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]C1CCC(C(F)F)CC1 ZINC000423313231 387151595 /nfs/dbraw/zinc/15/15/95/387151595.db2.gz WNQXEBQYILMRBQ-IDKOKCKLSA-N 2 0 220.307 1.995 20 0 BDADRP [NH3+]CCCC[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000423315396 387153522 /nfs/dbraw/zinc/15/35/22/387153522.db2.gz AQVPSVVXHZSLET-GHMZBOCLSA-N 2 0 202.317 1.843 20 0 BDADRP CCC1(CC)[C@H]([NH2+]C[C@H]([NH3+])C2CC2)C[C@@H]1OC ZINC000423314785 387153864 /nfs/dbraw/zinc/15/38/64/387153864.db2.gz HUYCKKRQQMZZMS-XQQFMLRXSA-N 2 0 240.391 1.907 20 0 BDADRP [NH3+][C@@H](C[NH2+][C@@H](C1CC1)C1CCC1)C1CC1 ZINC000423314097 387155414 /nfs/dbraw/zinc/15/54/14/387155414.db2.gz GMQGYZRTMPLFJA-QWHCGFSZSA-N 2 0 208.349 1.892 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423316416 387157416 /nfs/dbraw/zinc/15/74/16/387157416.db2.gz ASNIIYUOODJBSP-GFCCVEGCSA-N 3 0 227.396 1.483 20 0 BDADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CC1C[NH2+]C1 ZINC000423319588 387161222 /nfs/dbraw/zinc/16/12/22/387161222.db2.gz LSFSVAFZCKJXKH-RISCZKNCSA-N 2 0 234.343 1.572 20 0 BDADRP [NH3+][C@@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)C1CC1 ZINC000423321198 387162575 /nfs/dbraw/zinc/16/25/75/387162575.db2.gz MZTXKRQNDJWUAF-MROQNXINSA-N 2 0 236.359 1.271 20 0 BDADRP C[C@@H]1C[C@@H](NCC2([NH3+])CCC2)C[N@@H+]1C1CC1 ZINC000423321342 387165131 /nfs/dbraw/zinc/16/51/31/387165131.db2.gz HISYTJULTXJXFS-GHMZBOCLSA-N 2 0 223.364 1.083 20 0 BDADRP COc1cc([C@@H](C)[NH2+]CCCC[NH3+])c(F)cn1 ZINC000423321371 387165326 /nfs/dbraw/zinc/16/53/26/387165326.db2.gz HLBVPQXXVWUEGR-SECBINFHSA-N 2 0 241.310 1.619 20 0 BDADRP COc1ccc(C[C@H](C)[NH2+]CC2([NH3+])CCC2)cn1 ZINC000423321596 387165639 /nfs/dbraw/zinc/16/56/39/387165639.db2.gz GMXGAAZYMDFPML-NSHDSACASA-N 2 0 249.358 1.492 20 0 BDADRP C[C@]1(CN[C@H]2CCCC[C@H]2C[NH3+])CCC[NH2+]C1 ZINC000423328385 387169299 /nfs/dbraw/zinc/16/92/99/387169299.db2.gz DNTNQJYBNABPAV-IHRRRGAJSA-N 2 0 239.407 1.483 20 0 BDADRP CC[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371206379 387172275 /nfs/dbraw/zinc/17/22/75/387172275.db2.gz YKWZUJDMYMDDDV-CYBMUJFWSA-N 2 0 225.380 1.107 20 0 BDADRP [NH3+][C@H](CN[C@@H]1C[C@@H]([NH3+])c2ccccc21)C1CC1 ZINC000423330103 387173592 /nfs/dbraw/zinc/17/35/92/387173592.db2.gz TXGFOIKJHPDMFB-MGPQQGTHSA-N 2 0 231.343 1.458 20 0 BDADRP CC1(C)[C@H]([NH2+]C[C@H]([NH3+])C2CC2)[C@@H]2CCCO[C@@H]21 ZINC000423331054 387176638 /nfs/dbraw/zinc/17/66/38/387176638.db2.gz UOOCEGVEIDCCMD-RVMXOQNASA-N 2 0 238.375 1.517 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423332809 387177255 /nfs/dbraw/zinc/17/72/55/387177255.db2.gz PKJVRKBPOLNJBU-IJLUTSLNSA-N 2 0 214.353 1.389 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423332814 387177395 /nfs/dbraw/zinc/17/73/95/387177395.db2.gz PKJVRKBPOLNJBU-UTUOFQBUSA-N 2 0 214.353 1.389 20 0 BDADRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1cccc(O)c1 ZINC000423344438 387193724 /nfs/dbraw/zinc/19/37/24/387193724.db2.gz MUPKBBOBSUNJKT-NSHDSACASA-N 2 0 232.327 1.963 20 0 BDADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCC[NH3+])[C@@H]1C ZINC000423335031 387180796 /nfs/dbraw/zinc/18/07/96/387180796.db2.gz TVELBITVGPFMFQ-WOPDTQHZSA-N 2 0 242.363 1.293 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)[C@@H](C)O1 ZINC000423335770 387183608 /nfs/dbraw/zinc/18/36/08/387183608.db2.gz RYSTYFOXFRLAKA-IJLUTSLNSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)[C@@H]1CCCOC1 ZINC000423337853 387185903 /nfs/dbraw/zinc/18/59/03/387185903.db2.gz UHBMQKCOCLWYKW-CHWSQXEVSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)[C@H]1CCCOC1 ZINC000423337855 387186597 /nfs/dbraw/zinc/18/65/97/387186597.db2.gz UHBMQKCOCLWYKW-OLZOCXBDSA-N 2 0 240.391 1.781 20 0 BDADRP CC[C@H](O)CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353396412 387194095 /nfs/dbraw/zinc/19/40/95/387194095.db2.gz SUGCOPBELBJMSX-DGAVXFQQSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@H](Cc1ccccc1F)[NH2+]CC1C[NH2+]C1 ZINC000423300992 387132771 /nfs/dbraw/zinc/13/27/71/387132771.db2.gz GMDYDMOEBWOGFZ-SNVBAGLBSA-N 2 0 222.307 1.566 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]CCC[C@H](C)CO)CC1 ZINC000228832132 387132976 /nfs/dbraw/zinc/13/29/76/387132976.db2.gz WSZUKZMTPFPEEZ-ZDUSSCGKSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@H](C[NH3+])CN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423305131 387139055 /nfs/dbraw/zinc/13/90/55/387139055.db2.gz KEMALWVBYVUBBR-BZPMIXESSA-N 2 0 235.375 1.129 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423427127 387252472 /nfs/dbraw/zinc/25/24/72/387252472.db2.gz IEIXUYWTQBLZTN-RWMBFGLXSA-N 3 0 227.396 1.624 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)[C@@H]1CCCOC1 ZINC000423356848 387206767 /nfs/dbraw/zinc/20/67/67/387206767.db2.gz HHAHSCUENOMZDC-YNEHKIRRSA-N 2 0 226.364 1.533 20 0 BDADRP CCOC[C@@H]1CCC[C@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000423356680 387206904 /nfs/dbraw/zinc/20/69/04/387206904.db2.gz RDJUYZOESFTFKX-UONOGXRCSA-N 2 0 238.375 1.701 20 0 BDADRP CC[C@H](NCC[C@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000423356496 387207006 /nfs/dbraw/zinc/20/70/06/387207006.db2.gz JZYMZMFLFGAJBC-AGIUHOORSA-N 2 0 225.380 1.249 20 0 BDADRP CN(CCN(C)[C@@H](C[NH3+])C1CC1)c1ccccc1 ZINC000360003974 387211688 /nfs/dbraw/zinc/21/16/88/387211688.db2.gz WEAMJDKHIFNPSB-HNNXBMFYSA-N 2 0 247.386 1.792 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+]CC[C@H]2CCC[NH2+]2)C1(C)C ZINC000423361148 387213123 /nfs/dbraw/zinc/21/31/23/387213123.db2.gz MCUDFVZLIAMCTA-AGIUHOORSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CNCC[C@H]1C ZINC000423360419 387213996 /nfs/dbraw/zinc/21/39/96/387213996.db2.gz LJTLKKLACYHJSP-IJLUTSLNSA-N 2 0 213.369 1.092 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423366569 387217799 /nfs/dbraw/zinc/21/77/99/387217799.db2.gz XXPFRIXUJOQQSV-JHJVBQTASA-N 2 0 225.380 1.106 20 0 BDADRP CCn1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000423365439 387218082 /nfs/dbraw/zinc/21/80/82/387218082.db2.gz BHIRFJPQLXNSPL-CYZMBNFOSA-N 2 0 236.363 1.824 20 0 BDADRP [NH3+]CCC[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000643496699 387218575 /nfs/dbraw/zinc/21/85/75/387218575.db2.gz JLHNCXMKAOXFHY-LBPRGKRZSA-N 2 0 226.270 1.891 20 0 BDADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423366719 387219256 /nfs/dbraw/zinc/21/92/56/387219256.db2.gz QIBWBPVFYUMHEF-SCRDCRAPSA-N 2 0 237.391 1.201 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423366571 387219351 /nfs/dbraw/zinc/21/93/51/387219351.db2.gz XXPFRIXUJOQQSV-XQQFMLRXSA-N 2 0 225.380 1.106 20 0 BDADRP CO[C@@H](C)[C@@H](C)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423368582 387220695 /nfs/dbraw/zinc/22/06/95/387220695.db2.gz SBZATRJQROHLRZ-OUAUKWLOSA-N 2 0 200.326 1.142 20 0 BDADRP CC[NH2+][C@H](C)CN[C@H]1CCCCC[C@H]1[NH3+] ZINC000423373395 387230166 /nfs/dbraw/zinc/23/01/66/387230166.db2.gz BSVXONJRXQSNLA-UTUOFQBUSA-N 2 0 213.369 1.234 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000336410455 387237862 /nfs/dbraw/zinc/23/78/62/387237862.db2.gz DEUODDCTJJCSQY-ZWNOBZJWSA-N 2 0 244.342 1.732 20 0 BDADRP CC[C@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)C1CCC1 ZINC000423414578 387245597 /nfs/dbraw/zinc/24/55/97/387245597.db2.gz NERMOHBJMCANIO-UONOGXRCSA-N 2 0 240.391 1.923 20 0 BDADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCOCC(F)F ZINC000352478006 387246468 /nfs/dbraw/zinc/24/64/68/387246468.db2.gz QYMCAGRPMDKIDD-JTQLQIEISA-N 2 0 236.306 1.471 20 0 BDADRP CC[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCCC1 ZINC000423420171 387247763 /nfs/dbraw/zinc/24/77/63/387247763.db2.gz BDYBZWSRDVUOOW-XQHKEYJVSA-N 2 0 208.349 1.763 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1cn[nH]c1 ZINC000423417841 387248573 /nfs/dbraw/zinc/24/85/73/387248573.db2.gz GFHBDBVNLLUEGC-SRVKXCTJSA-N 2 0 236.363 1.825 20 0 BDADRP CCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423419133 387248845 /nfs/dbraw/zinc/24/88/45/387248845.db2.gz AMYSJGNBGQEGNH-LBELIVKGSA-N 2 0 208.349 1.763 20 0 BDADRP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423424714 387252329 /nfs/dbraw/zinc/25/23/29/387252329.db2.gz NNUZUWOJNVLUGC-AAVRWANBSA-N 2 0 239.407 1.291 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423469702 387316870 /nfs/dbraw/zinc/31/68/70/387316870.db2.gz DBRBZIBARFTIHM-AVGNSLFASA-N 3 0 225.380 1.236 20 0 BDADRP COC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)C1CC1 ZINC000423379249 387260132 /nfs/dbraw/zinc/26/01/32/387260132.db2.gz MUMFYMRAJUCTGJ-DLOVCJGASA-N 2 0 212.337 1.142 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)CC[NH2+]1 ZINC000423380295 387262888 /nfs/dbraw/zinc/26/28/88/387262888.db2.gz NSFVDOAVBVENSK-MEBFFEOJSA-N 3 0 239.407 1.445 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)CC[NH2+]1 ZINC000423380296 387263502 /nfs/dbraw/zinc/26/35/02/387263502.db2.gz NSFVDOAVBVENSK-RKQHYHRCSA-N 3 0 239.407 1.445 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCC[NH2+][C@@H]1C ZINC000423390693 387275650 /nfs/dbraw/zinc/27/56/50/387275650.db2.gz KEMNOLPVDIFXGG-KSTCHIGDSA-N 2 0 239.407 1.445 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCC[C@@H]1CCOC ZINC000423395394 387281368 /nfs/dbraw/zinc/28/13/68/387281368.db2.gz SMGUWFLZVZJPCV-JHJVBQTASA-N 2 0 228.380 1.779 20 0 BDADRP CC[C@@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)C1CC1 ZINC000423432127 387283910 /nfs/dbraw/zinc/28/39/10/387283910.db2.gz QRQZOKPHESTWGB-CHWSQXEVSA-N 2 0 226.364 1.533 20 0 BDADRP Cn1cc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cn1 ZINC000459746125 387283921 /nfs/dbraw/zinc/28/39/21/387283921.db2.gz YZRJKOQLMIZNQE-GFCCVEGCSA-N 2 0 236.363 1.242 20 0 BDADRP Cn1nccc1C[NH2+]C(C)(C)CCC[NH+](C)C ZINC000395674417 387284636 /nfs/dbraw/zinc/28/46/36/387284636.db2.gz OPGUOJROHDINOB-UHFFFAOYSA-N 2 0 238.379 1.630 20 0 BDADRP Cc1cc([C@H](C)[NH2+][C@@H](C)CCCC[NH3+])nn1C ZINC000423437041 387285800 /nfs/dbraw/zinc/28/58/00/387285800.db2.gz QGQGDHAFSHCRDI-JQWIXIFHSA-N 2 0 238.379 1.897 20 0 BDADRP C[C@@H](CCCc1cccnc1)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423434761 387286204 /nfs/dbraw/zinc/28/62/04/387286204.db2.gz QMQWAKGKXFNUAA-SPWCGHHHSA-N 2 0 245.370 1.600 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)[C@@H](C)O1 ZINC000423436471 387286364 /nfs/dbraw/zinc/28/63/64/387286364.db2.gz ZXPWPCCSLAUGFT-KSTCHIGDSA-N 2 0 240.391 1.907 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[C@@H](C[NH3+])CC1 ZINC000423436500 387286923 /nfs/dbraw/zinc/28/69/23/387286923.db2.gz ZZFTXLXZRNVQEB-XUXIUFHCSA-N 3 0 239.407 1.469 20 0 BDADRP C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+][C@H](C)CCC[NH3+] ZINC000423444586 387295364 /nfs/dbraw/zinc/29/53/64/387295364.db2.gz BCFKNXMMTDFWMJ-UMVBOHGHSA-N 2 0 249.402 1.662 20 0 BDADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@@H](C)[C@H](C)[NH3+] ZINC000423455807 387303373 /nfs/dbraw/zinc/30/33/73/387303373.db2.gz CXPHCVKBMVVALV-ZJQBRPOHSA-N 2 0 235.375 1.270 20 0 BDADRP CC[C@@H]([NH2+]CCC[NH2+]C1CC1)[C@H]1CCOC1 ZINC000423528005 387354814 /nfs/dbraw/zinc/35/48/14/387354814.db2.gz NHFYFNZTDGJXCB-WCQYABFASA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)C1CCCC1 ZINC000423525642 387354932 /nfs/dbraw/zinc/35/49/32/387354932.db2.gz UNOLECPXQGFREP-AAEUAGOBSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NCCC[NH2+]C1CC1 ZINC000423527396 387356292 /nfs/dbraw/zinc/35/62/92/387356292.db2.gz MGOLYCMTPQGMOS-SMDDNHRTSA-N 2 0 237.391 1.201 20 0 BDADRP CC[C@@H]([NH2+]CCCC[NH+](C)C)c1cnn(C)c1 ZINC000360853666 387357700 /nfs/dbraw/zinc/35/77/00/387357700.db2.gz BOILMBUUUWIEEX-CYBMUJFWSA-N 2 0 238.379 1.803 20 0 BDADRP C[C@@H]1C[C@@H](N[C@H](C[NH3+])C2CCCC2)CC[N@@H+]1C ZINC000423532935 387358527 /nfs/dbraw/zinc/35/85/27/387358527.db2.gz SDNCKAHMPLRZGQ-KWCYVHTRSA-N 2 0 239.407 1.576 20 0 BDADRP C[C@H]1C[C@@H](NCCC[NH2+]C2CC2)C[N@@H+]1C1CC1 ZINC000423530346 387359424 /nfs/dbraw/zinc/35/94/24/387359424.db2.gz RCRZALNDGWIEDD-WCQYABFASA-N 2 0 237.391 1.343 20 0 BDADRP C[C@H](NC[C@@H]1CCCC[NH2+]1)[C@@H]1CCCC[NH2+]1 ZINC000643502218 387363556 /nfs/dbraw/zinc/36/35/56/387363556.db2.gz ADMBMBLVUIMNFJ-AVGNSLFASA-N 2 0 225.380 1.249 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1NC[C@@H]1CCCC[NH2+]1 ZINC000643502387 387365159 /nfs/dbraw/zinc/36/51/59/387365159.db2.gz FDTIHUGDCFGQRK-XQQFMLRXSA-N 2 0 225.380 1.378 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423539756 387366441 /nfs/dbraw/zinc/36/64/41/387366441.db2.gz ISMNQDGOTYWHBI-CKIKVBCHSA-N 2 0 226.364 1.388 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCCN2)C1 ZINC000643502974 387369304 /nfs/dbraw/zinc/36/93/04/387369304.db2.gz WQKWIVHXXFQTLN-YNEHKIRRSA-N 2 0 226.364 1.676 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CCC[NH2+]1 ZINC000423545686 387370512 /nfs/dbraw/zinc/37/05/12/387370512.db2.gz JWOHOCNZLLZDIM-ODXJTPSBSA-N 3 0 237.391 1.105 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000423545688 387370669 /nfs/dbraw/zinc/37/06/69/387370669.db2.gz JWOHOCNZLLZDIM-QNSTZXKLSA-N 3 0 237.391 1.105 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1NCCC[NH2+]C1CC1 ZINC000423549743 387373561 /nfs/dbraw/zinc/37/35/61/387373561.db2.gz IEBLLKAUOPJJLP-WCQYABFASA-N 2 0 225.380 1.106 20 0 BDADRP [NH3+][C@H]1C[C@H](NCCC[NH2+]C2CC2)c2ccccc21 ZINC000423572523 387381225 /nfs/dbraw/zinc/38/12/25/387381225.db2.gz YHIMFPGWNZXUTJ-GJZGRUSLSA-N 2 0 245.370 1.863 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC000423476724 387322405 /nfs/dbraw/zinc/32/24/05/387322405.db2.gz RCLJORYUTZVLTG-XUXIUFHCSA-N 3 0 239.407 1.624 20 0 BDADRP C[C@@H](N[C@H]1C[NH2+]CCC1(F)F)[C@@H]1CCCC[NH2+]1 ZINC000423474864 387322874 /nfs/dbraw/zinc/32/28/74/387322874.db2.gz HTRDWWIACRSSGL-VWYCJHECSA-N 2 0 247.333 1.104 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423476735 387324370 /nfs/dbraw/zinc/32/43/70/387324370.db2.gz RDMLHFQCLZRNHB-FRRDWIJNSA-N 3 0 227.396 1.611 20 0 BDADRP CC[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000423480089 387326089 /nfs/dbraw/zinc/32/60/89/387326089.db2.gz MVIKJZQMFUMSDR-IHRRRGAJSA-N 3 0 239.407 1.639 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)[C@H](C)O1 ZINC000423479878 387327479 /nfs/dbraw/zinc/32/74/79/387327479.db2.gz VKROMCQZDFXYFW-FHUSYTEZSA-N 2 0 226.364 1.659 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCN(CC2CC2)C1 ZINC000643462727 387327571 /nfs/dbraw/zinc/32/75/71/387327571.db2.gz IEWVVWOEQUQMKD-JSGCOSHPSA-N 3 0 239.407 1.578 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1cnccc1N ZINC000423483733 387328641 /nfs/dbraw/zinc/32/86/41/387328641.db2.gz ZBRUESCJTNAFEQ-QJPTWQEYSA-N 2 0 248.374 1.662 20 0 BDADRP C[C@@H]1CCNC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423483713 387329664 /nfs/dbraw/zinc/32/96/64/387329664.db2.gz YXRWJZUIVUHWJQ-LPWJVIDDSA-N 2 0 225.380 1.092 20 0 BDADRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cn[nH]c1 ZINC000423485790 387330737 /nfs/dbraw/zinc/33/07/37/387330737.db2.gz RWNKMJRZYWOXES-ZYHUDNBSSA-N 2 0 222.336 1.593 20 0 BDADRP CCn1cc([C@H](C)[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cn1 ZINC000423486129 387331852 /nfs/dbraw/zinc/33/18/52/387331852.db2.gz BNPKNDIFTWQSOT-LOWVWBTDSA-N 2 0 236.363 1.681 20 0 BDADRP Cc1cccc([C@@H](C)[NH2+]C[C@H]2CNCCN2C)c1 ZINC000423488885 387333593 /nfs/dbraw/zinc/33/35/93/387333593.db2.gz ZJWNEDHWAFCWDZ-UKRRQHHQSA-N 2 0 247.386 1.549 20 0 BDADRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)[C@H]1CCC[NH2+]1 ZINC000423487932 387333711 /nfs/dbraw/zinc/33/37/11/387333711.db2.gz UVVBHIVKOAHVTH-JHJVBQTASA-N 3 0 225.380 1.249 20 0 BDADRP C[C@H](Cc1ccoc1)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423491614 387335598 /nfs/dbraw/zinc/33/55/98/387335598.db2.gz JYIICMFRDCINSB-YPMHNXCESA-N 2 0 238.331 1.179 20 0 BDADRP Cn1ccnc1[C@@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC000336511083 387336182 /nfs/dbraw/zinc/33/61/82/387336182.db2.gz BVXWAKPANLBBBW-LLVKDONJSA-N 2 0 245.330 1.143 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000423495157 387338582 /nfs/dbraw/zinc/33/85/82/387338582.db2.gz DYBPOCPGHREQQE-XUXIUFHCSA-N 2 0 240.391 1.909 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C[NH3+])C2)C1(C)C ZINC000423496046 387338827 /nfs/dbraw/zinc/33/88/27/387338827.db2.gz VYARZSFBCBGZBI-MROQNXINSA-N 2 0 240.391 1.907 20 0 BDADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000423498052 387340296 /nfs/dbraw/zinc/34/02/96/387340296.db2.gz ZUFCTYHSAWTOEN-BYNQJWBRSA-N 2 0 237.391 1.186 20 0 BDADRP CCc1ccccc1[C@H]([NH3+])CN[C@H]1CCC[C@@H]1[NH3+] ZINC000423499724 387341261 /nfs/dbraw/zinc/34/12/61/387341261.db2.gz JLHZHZOOFUOTKC-ZNMIVQPWSA-N 2 0 247.386 1.718 20 0 BDADRP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423505132 387343430 /nfs/dbraw/zinc/34/34/30/387343430.db2.gz GNVBQIZDHOALBI-RFQIPJPRSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccc(F)cn1 ZINC000423513360 387348380 /nfs/dbraw/zinc/34/83/80/387348380.db2.gz RHPWVOZPFVXPCS-JBLDHEPKSA-N 2 0 237.322 1.999 20 0 BDADRP C[C@H](N[C@H](C[NH3+])C1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000423517411 387350907 /nfs/dbraw/zinc/35/09/07/387350907.db2.gz YQFVVHOYYZGFHA-WCFLWFBJSA-N 2 0 225.380 1.234 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)C(C)(C)C ZINC000423516157 387351625 /nfs/dbraw/zinc/35/16/25/387351625.db2.gz NMRARJOHXAKMSW-MNOVXSKESA-N 2 0 214.353 1.389 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]CCC[NH2+]C1CC1 ZINC000423519234 387352172 /nfs/dbraw/zinc/35/21/72/387352172.db2.gz DBSPKLNHGHWUIS-NXEZZACHSA-N 2 0 200.326 1.142 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+]CC(C)(C)C[NH+](C)C ZINC000121855249 387424010 /nfs/dbraw/zinc/42/40/10/387424010.db2.gz IQDHSPZBMUWXGU-GFCCVEGCSA-N 2 0 238.379 1.449 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2CC[NH2+]CC2)[C@H](C)C1 ZINC000516044825 387449118 /nfs/dbraw/zinc/44/91/18/387449118.db2.gz UDRUJTVYPKLNKB-TZMCWYRMSA-N 3 0 239.407 1.306 20 0 BDADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCCF ZINC000374419696 387452653 /nfs/dbraw/zinc/45/26/53/387452653.db2.gz IWTPLPHUARFGJK-FRRDWIJNSA-N 2 0 244.354 1.530 20 0 BDADRP C[C@H]([NH2+]CC(C)(C)[C@@H]1CCCCO1)C1C[NH2+]C1 ZINC000643466607 387388761 /nfs/dbraw/zinc/38/87/61/387388761.db2.gz HGJVITDEWVOAGB-AAEUAGOBSA-N 2 0 240.391 1.779 20 0 BDADRP Cn1cc(CCC[NH2+][C@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000515498321 387390024 /nfs/dbraw/zinc/39/00/24/387390024.db2.gz GQXQLFXHKMAOQS-STQMWFEESA-N 2 0 236.363 1.212 20 0 BDADRP C[NH2+][C@@H](C)CNC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000423626899 387390312 /nfs/dbraw/zinc/39/03/12/387390312.db2.gz HONLVGUDLPMVHM-CMPLNLGQSA-N 2 0 241.379 1.008 20 0 BDADRP CC(C)[C@@H](C(=O)N[C@H](C)CCCC[NH3+])[C@@H](C)[NH3+] ZINC000423701311 387400436 /nfs/dbraw/zinc/40/04/36/387400436.db2.gz WFYIYBUOPBKDPC-IJLUTSLNSA-N 2 0 243.395 1.240 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000643475312 387509365 /nfs/dbraw/zinc/50/93/65/387509365.db2.gz FPIPXKSMTGBPLQ-WUHRBBMRSA-N 2 0 226.364 1.661 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@H]1CCC12CCOCC2 ZINC000516493307 387516910 /nfs/dbraw/zinc/51/69/10/387516910.db2.gz UFCVFQIPONTPCI-ZDUSSCGKSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)CC1CCOCC1)C[NH+](C)C ZINC000425948681 387534794 /nfs/dbraw/zinc/53/47/94/387534794.db2.gz DOYIYNGTFSNHDL-OLZOCXBDSA-N 2 0 242.407 1.979 20 0 BDADRP C[C@@H](Cc1ccoc1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643473920 387488013 /nfs/dbraw/zinc/48/80/13/387488013.db2.gz QUSSADBSLSUSRZ-AAEUAGOBSA-N 2 0 222.332 1.942 20 0 BDADRP Cc1ccc(CCC[N@H+]2C[C@@H](C)[C@H](CO)C2)cn1 ZINC000355147702 387488100 /nfs/dbraw/zinc/48/81/00/387488100.db2.gz DHBMRVQPHSMWJI-DOMZBBRYSA-N 2 0 248.370 1.883 20 0 BDADRP CC(C)[NH2+]CCC[NH2+][C@@H](C)CCCCO ZINC000643508292 387489101 /nfs/dbraw/zinc/48/91/01/387489101.db2.gz FDFVQHOUNTWHIU-LBPRGKRZSA-N 2 0 216.369 1.515 20 0 BDADRP CC(C)[NH2+]CCC[NH2+][C@@H]1CCOC[C@H]1C ZINC000643508446 387489901 /nfs/dbraw/zinc/48/99/01/387489901.db2.gz KMVVNGQQRUWZGH-VXGBXAGGSA-N 2 0 214.353 1.389 20 0 BDADRP CC(C)[NH2+]CCC[NH2+][C@H]1CCOC[C@H]1C ZINC000643508443 387490454 /nfs/dbraw/zinc/49/04/54/387490454.db2.gz KMVVNGQQRUWZGH-NEPJUHHUSA-N 2 0 214.353 1.389 20 0 BDADRP c1cn(CC[N@@H+]2CCCO[C@H]3CCC[C@H]32)cn1 ZINC000362181336 387580923 /nfs/dbraw/zinc/58/09/23/387580923.db2.gz RPQIYCDJIBHTKJ-OLZOCXBDSA-N 2 0 235.331 1.527 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)[C@H]([NH3+])C2CCC2)cc1 ZINC000422535451 387595791 /nfs/dbraw/zinc/59/57/91/387595791.db2.gz CMRWDPUJBUNERV-CYBMUJFWSA-N 2 0 247.342 1.472 20 0 BDADRP C([NH2+][C@H]1CC[NH2+]C12CCC2)[C@@H]1CCCOC1 ZINC000527532326 387598429 /nfs/dbraw/zinc/59/84/29/387598429.db2.gz MZTJGXATYXJTDM-RYUDHWBXSA-N 2 0 224.348 1.287 20 0 BDADRP C[C@@H]1C[C@H](C)N(CC[NH2+]C(C)(C)C)C[C@H]1C[NH3+] ZINC000422563875 387602038 /nfs/dbraw/zinc/60/20/38/387602038.db2.gz URHQOKXFRSSOGI-FRRDWIJNSA-N 2 0 241.423 1.680 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)CCC[NH3+] ZINC000422713705 387629188 /nfs/dbraw/zinc/62/91/88/387629188.db2.gz PZCOUILUXKNLPL-GARJFASQSA-N 2 0 202.342 1.110 20 0 BDADRP CCCCNC(=O)CC[N@H+](C)CC(C)(C)C[NH3+] ZINC000430595451 387629162 /nfs/dbraw/zinc/62/91/62/387629162.db2.gz XYAGJTKBURQNCB-UHFFFAOYSA-N 2 0 243.395 1.210 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422716136 387629290 /nfs/dbraw/zinc/62/92/90/387629290.db2.gz UCDUCNDOZORFLL-FPMFFAJLSA-N 2 0 242.407 1.761 20 0 BDADRP C[C@H]([NH2+]CCc1c(F)cccc1F)C1C[NH2+]C1 ZINC000422692670 387613035 /nfs/dbraw/zinc/61/30/35/387613035.db2.gz KQXAKHUCZVMHLK-VIFPVBQESA-N 2 0 240.297 1.705 20 0 BDADRP CCC(CC)[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422700847 387615752 /nfs/dbraw/zinc/61/57/52/387615752.db2.gz AVRCYIRVIWNOPP-PIGZVRMJSA-N 2 0 240.391 1.656 20 0 BDADRP CC[C@H]([NH2+]C[C@@H](C)COC)[C@@H]1CCC[NH2+]1 ZINC000422701485 387615879 /nfs/dbraw/zinc/61/58/79/387615879.db2.gz IQWIPWKWOFRSMM-WOPDTQHZSA-N 2 0 214.353 1.389 20 0 BDADRP CC[N@@H+]1CC[C@H](CN[C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000422698412 387616014 /nfs/dbraw/zinc/61/60/14/387616014.db2.gz ZESBWWUCXIWOBL-MCIONIFRSA-N 2 0 239.407 1.578 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C1CCCCC1 ZINC000422702996 387617406 /nfs/dbraw/zinc/61/74/06/387617406.db2.gz MBAGRQVLQCGOJZ-JHJVBQTASA-N 2 0 226.364 1.397 20 0 BDADRP C[N@H+](CCN[C@H]1CCC[C@H]1[NH3+])C1CCCCC1 ZINC000422703597 387618450 /nfs/dbraw/zinc/61/84/50/387618450.db2.gz NMTQEOQSFSHOFE-KGLIPLIRSA-N 2 0 239.407 1.720 20 0 BDADRP CC[C@H](Cc1cccs1)[NH2+]CC1C[NH2+]C1 ZINC000643516028 387619430 /nfs/dbraw/zinc/61/94/30/387619430.db2.gz OVPFPRXVMUTZSG-LLVKDONJSA-N 2 0 224.373 1.878 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH+]1C)C[C@@H]1CCC[C@@H]1O ZINC000305636547 387619792 /nfs/dbraw/zinc/61/97/92/387619792.db2.gz ORZLZNOGZKVUTC-IHRRRGAJSA-N 2 0 240.391 1.564 20 0 BDADRP C[C@@H](CCc1ccco1)[NH2+]CC1C[NH2+]C1 ZINC000643516021 387620077 /nfs/dbraw/zinc/62/00/77/387620077.db2.gz NHAYCKSMWYWGAL-JTQLQIEISA-N 2 0 208.305 1.410 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C1CCCCC1 ZINC000422706673 387621204 /nfs/dbraw/zinc/62/12/04/387621204.db2.gz UUYHJSKSCFFOMD-MELADBBJSA-N 2 0 240.391 1.645 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCCCO1 ZINC000422704506 387621259 /nfs/dbraw/zinc/62/12/59/387621259.db2.gz PVBHIDUWDFQWQR-UPJWGTAASA-N 2 0 226.364 1.533 20 0 BDADRP C[N@H+](CC[C@H]1CCC[NH+]1C)CC1(O)CCCC1 ZINC000305652673 387623288 /nfs/dbraw/zinc/62/32/88/387623288.db2.gz UXSFOKRVICVSPO-CYBMUJFWSA-N 2 0 240.391 1.708 20 0 BDADRP COCC(C)(C)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000426356529 387559211 /nfs/dbraw/zinc/55/92/11/387559211.db2.gz KXMVTLKCJHWJOW-GFCCVEGCSA-N 2 0 228.380 1.543 20 0 BDADRP [NH3+][C@H](CN[C@@H]1CCCc2cccnc21)C1CC1 ZINC000643516798 387631449 /nfs/dbraw/zinc/63/14/49/387631449.db2.gz WMOHXXMXLOSBTI-CHWSQXEVSA-N 2 0 231.343 1.786 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422717538 387631876 /nfs/dbraw/zinc/63/18/76/387631876.db2.gz WARYSERRGBZQTH-UMSGYPCISA-N 2 0 228.380 1.501 20 0 BDADRP CC[C@@H]([NH2+]C[C@@H]1CCCOC1)[C@@H]1CCC[NH2+]1 ZINC000422721130 387633306 /nfs/dbraw/zinc/63/33/06/387633306.db2.gz UPSVUWBXXQZPMR-XQQFMLRXSA-N 2 0 226.364 1.533 20 0 BDADRP CC[C@H](O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000305724393 387637335 /nfs/dbraw/zinc/63/73/35/387637335.db2.gz KZVCPWFOXOTMTL-AWEZNQCLSA-N 2 0 242.407 1.811 20 0 BDADRP CCCCOCCC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422729546 387639183 /nfs/dbraw/zinc/63/91/83/387639183.db2.gz KWRQGXLSRQXWND-NEPJUHHUSA-N 2 0 216.369 1.909 20 0 BDADRP CCCC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000422732035 387641166 /nfs/dbraw/zinc/64/11/66/387641166.db2.gz NDEIVSQBIITESC-GARJFASQSA-N 2 0 200.326 1.128 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1NCCc1ccccn1 ZINC000422733217 387641309 /nfs/dbraw/zinc/64/13/09/387641309.db2.gz QKVZQEYIIXIMLA-DGCLKSJQSA-N 2 0 219.332 1.212 20 0 BDADRP CC[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422741109 387648457 /nfs/dbraw/zinc/64/84/57/387648457.db2.gz OATZFZMCKNKAQN-KBPBESRZSA-N 3 0 239.407 1.448 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]CC2(C)CC[NH2+]CC2)C1 ZINC000643518213 387649673 /nfs/dbraw/zinc/64/96/73/387649673.db2.gz DCLYHIUPUGWBGC-QWHCGFSZSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCO2)CC[N@@H+]1C ZINC000149295094 387649755 /nfs/dbraw/zinc/64/97/55/387649755.db2.gz XNDPVXOEVNKIOQ-WOPDTQHZSA-N 2 0 212.337 1.238 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc2c1OCO2 ZINC000422746364 387650086 /nfs/dbraw/zinc/65/00/86/387650086.db2.gz ZKECSZQSGDRGCC-UWVGGRQHSA-N 2 0 236.315 1.631 20 0 BDADRP C[C@@H](NC[C@H](C)[N@H+](C)C1CC1)c1c[nH+]ccc1N ZINC000422747884 387651174 /nfs/dbraw/zinc/65/11/74/387651174.db2.gz ZSSIWNRFMGLENZ-WDEREUQCSA-N 2 0 248.374 1.627 20 0 BDADRP C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000422748109 387653065 /nfs/dbraw/zinc/65/30/65/387653065.db2.gz RZKZOTSBLCULSD-GHMZBOCLSA-N 2 0 204.317 1.945 20 0 BDADRP CC[C@@H]([NH2+][C@H](C)CSC)[C@@H]1CCC[NH2+]1 ZINC000422750029 387655890 /nfs/dbraw/zinc/65/58/90/387655890.db2.gz BXJCLJKVMGCXSA-MXWKQRLJSA-N 2 0 216.394 1.858 20 0 BDADRP COC[C@H]([NH2+]CCC1CC[NH+](C)CC1)C1CC1 ZINC000125490415 387659025 /nfs/dbraw/zinc/65/90/25/387659025.db2.gz ZOWHXQFIZRELCL-AWEZNQCLSA-N 2 0 240.391 1.733 20 0 BDADRP CS[C@@H]1CCC[C@H]([NH2+][C@@H](C)C2C[NH2+]C2)C1 ZINC000422752765 387659262 /nfs/dbraw/zinc/65/92/62/387659262.db2.gz DAOKOYMNBAUWAD-ZMLRMANQSA-N 2 0 228.405 1.858 20 0 BDADRP CSCCC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422757832 387660244 /nfs/dbraw/zinc/66/02/44/387660244.db2.gz NAEGPGOQEGBXJS-GHMZBOCLSA-N 2 0 216.394 1.989 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCN(C)Cc1ccccc1 ZINC000422756560 387661712 /nfs/dbraw/zinc/66/17/12/387661712.db2.gz JASJJMUORMQZBC-KBPBESRZSA-N 2 0 249.402 1.834 20 0 BDADRP C[C@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)C1C[NH2+]C1 ZINC000422761865 387662801 /nfs/dbraw/zinc/66/28/01/387662801.db2.gz NAWCZCGXNROLFT-AAEUAGOBSA-N 2 0 241.423 1.550 20 0 BDADRP Cc1ccccc1C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000422764852 387665674 /nfs/dbraw/zinc/66/56/74/387665674.db2.gz OPYGIDLVZYROAJ-AEGPPILISA-N 2 0 248.370 1.837 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCOC1CCCC1 ZINC000422766513 387667828 /nfs/dbraw/zinc/66/78/28/387667828.db2.gz QEMYJKZVBHXPLE-OCCSQVGLSA-N 2 0 240.391 1.923 20 0 BDADRP CC[N@@H+]1CCC[C@H]1CN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422766499 387668122 /nfs/dbraw/zinc/66/81/22/387668122.db2.gz XLQNYODLPBOUSB-AGIUHOORSA-N 2 0 225.380 1.201 20 0 BDADRP C[N@H+](CCN[C@H]1CCC[C@H]1[NH3+])Cc1ccccc1 ZINC000422767324 387668271 /nfs/dbraw/zinc/66/82/71/387668271.db2.gz RXOSYKAKWXWRMD-CABCVRRESA-N 2 0 247.386 1.588 20 0 BDADRP COc1cccc(C[NH2+][C@@H](C)C2C[NH2+]C2)c1 ZINC000422772220 387670805 /nfs/dbraw/zinc/67/08/05/387670805.db2.gz SBNHCXWSYTWJCX-JTQLQIEISA-N 2 0 220.316 1.393 20 0 BDADRP C[C@H]([NH2+]C[C@H]1COc2ccccc2O1)C1C[NH2+]C1 ZINC000422772875 387671221 /nfs/dbraw/zinc/67/12/21/387671221.db2.gz ZERAYLZAKIYXFL-JQWIXIFHSA-N 2 0 248.326 1.024 20 0 BDADRP Cc1nc(C)c(C[NH2+][C@H](C)C[C@@H](C)[NH3+])s1 ZINC000422793969 387696001 /nfs/dbraw/zinc/69/60/01/387696001.db2.gz XWNMGZNQTYVPPB-HTQZYQBOSA-N 2 0 227.377 1.975 20 0 BDADRP COc1ccc(C)cc1CC[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422777007 387674859 /nfs/dbraw/zinc/67/48/59/387674859.db2.gz BOXDTRWSFWXSLF-LBPRGKRZSA-N 2 0 248.370 1.744 20 0 BDADRP C[C@H](NCCC[NH+]1CCCCC1)C1C[NH2+]C1 ZINC000422777310 387674997 /nfs/dbraw/zinc/67/49/97/387674997.db2.gz CBBDVLSZQIJDSZ-LBPRGKRZSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)[C@@H]1CCC[NH2+]1 ZINC000422779650 387678681 /nfs/dbraw/zinc/67/86/81/387678681.db2.gz IOQCBBJTFLFKOX-OFTGVCEQSA-N 2 0 238.375 1.530 20 0 BDADRP C[C@@H]1C[C@@H](N[C@H]2CC[NH2+]CC[C@H]2C)CC[N@@H+]1C ZINC000422778625 387679128 /nfs/dbraw/zinc/67/91/28/387679128.db2.gz HMDNJIJWQIBBRE-MQYQWHSLSA-N 2 0 239.407 1.447 20 0 BDADRP CC(C)[C@H](O)CC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000422780921 387681627 /nfs/dbraw/zinc/68/16/27/387681627.db2.gz KZCATSBKKSOJKA-RWMBFGLXSA-N 2 0 228.380 1.501 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422781894 387681860 /nfs/dbraw/zinc/68/18/60/387681860.db2.gz LHKIVIRIAAVLBQ-QWHCGFSZSA-N 3 0 227.396 1.578 20 0 BDADRP C[C@@H](N[C@@H](C)CC[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000422782440 387681881 /nfs/dbraw/zinc/68/18/81/387681881.db2.gz MYVDPHLNIOTCHM-TUAOUCFPSA-N 2 0 213.369 1.057 20 0 BDADRP COc1cc(CC[NH2+][C@H](C)C2C[NH2+]C2)ccc1C ZINC000422785597 387682575 /nfs/dbraw/zinc/68/25/75/387682575.db2.gz POFIXAWRSLHQMO-GFCCVEGCSA-N 2 0 248.370 1.744 20 0 BDADRP COC[C@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)C1CC1 ZINC000126503112 387686328 /nfs/dbraw/zinc/68/63/28/387686328.db2.gz VUOFUAHCWHLCLA-JSGCOSHPSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422786116 387687546 /nfs/dbraw/zinc/68/75/46/387687546.db2.gz SBCMXWLZTMSTBV-MROQNXINSA-N 2 0 225.380 1.199 20 0 BDADRP CCCCC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422742931 387690098 /nfs/dbraw/zinc/69/00/98/387690098.db2.gz HHLLWBVXVHGDNQ-BFHYXJOUSA-N 2 0 240.391 1.923 20 0 BDADRP CC1(C)[C@H]([NH2+]C2CC[NH2+]CC2)[C@@H]2CCCO[C@@H]21 ZINC000422788473 387690343 /nfs/dbraw/zinc/69/03/43/387690343.db2.gz VLKTTZFLJNLFTO-XQQFMLRXSA-N 2 0 238.375 1.532 20 0 BDADRP COc1ccc(CCC[NH2+]C2CC[NH2+]CC2)cc1 ZINC000422743655 387690410 /nfs/dbraw/zinc/69/04/10/387690410.db2.gz USQIPPKIFALNRW-UHFFFAOYSA-N 2 0 248.370 1.969 20 0 BDADRP CC[C@H]([NH2+]CC[C@@H](O)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000422792059 387694027 /nfs/dbraw/zinc/69/40/27/387694027.db2.gz ZAIGAGSJOCIQBV-RWMBFGLXSA-N 2 0 228.380 1.514 20 0 BDADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422863382 387747283 /nfs/dbraw/zinc/74/72/83/387747283.db2.gz LJPRHXXUGZATLS-JHJVBQTASA-N 3 0 245.411 1.059 20 0 BDADRP Cc1ccc(OCCC[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000422865070 387747504 /nfs/dbraw/zinc/74/75/04/387747504.db2.gz XAZDVQYHQBXRKC-CYBMUJFWSA-N 2 0 248.370 1.961 20 0 BDADRP CC[N@H+](CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000422876174 387756676 /nfs/dbraw/zinc/75/66/76/387756676.db2.gz FFOOAZNQHNREDD-FUNVUKJBSA-N 2 0 237.391 1.343 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCCOc1ccccc1 ZINC000422795829 387697132 /nfs/dbraw/zinc/69/71/32/387697132.db2.gz WSWHMWLPJMVAJB-KGLIPLIRSA-N 2 0 234.343 1.925 20 0 BDADRP CCSCC[C@@H](C)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422804914 387701020 /nfs/dbraw/zinc/70/10/20/387701020.db2.gz IIGPNNVGYGEJFZ-ZJUUUORDSA-N 2 0 216.394 1.716 20 0 BDADRP COCc1ccc(C[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000422802226 387702562 /nfs/dbraw/zinc/70/25/62/387702562.db2.gz CZKYFQLRVHIBJH-NSHDSACASA-N 2 0 234.343 1.531 20 0 BDADRP CCC(CC)(CCO)C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000422806579 387704373 /nfs/dbraw/zinc/70/43/73/387704373.db2.gz IHKJZFYWSPESPV-OLZOCXBDSA-N 2 0 242.407 1.892 20 0 BDADRP CC(C)C[C@H](CCO)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422805522 387705843 /nfs/dbraw/zinc/70/58/43/387705843.db2.gz JGVRGZYESFFZFT-RDBSUJKOSA-N 2 0 242.407 1.761 20 0 BDADRP CC(C)C[C@H](CCO)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422805519 387706571 /nfs/dbraw/zinc/70/65/71/387706571.db2.gz JGVRGZYESFFZFT-MELADBBJSA-N 2 0 242.407 1.761 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCCn1cccn1 ZINC000422811540 387709427 /nfs/dbraw/zinc/70/94/27/387709427.db2.gz PCWYHJRGOJUBKW-QWHCGFSZSA-N 2 0 236.363 1.523 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000422810950 387709435 /nfs/dbraw/zinc/70/94/35/387709435.db2.gz SPPRGAXYSZDCFU-LOWVWBTDSA-N 2 0 234.343 1.706 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCCn1cccn1 ZINC000422811566 387711504 /nfs/dbraw/zinc/71/15/04/387711504.db2.gz PEUKPKYPUDRXNQ-CHWSQXEVSA-N 2 0 236.363 1.251 20 0 BDADRP CCO[C@H](CC[NH2+][C@@H]1CCC[C@H]1[NH3+])C(C)C ZINC000422813795 387712318 /nfs/dbraw/zinc/71/23/18/387712318.db2.gz SKSSUCUVEUCEPH-JHJVBQTASA-N 2 0 228.380 1.907 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000422813903 387712389 /nfs/dbraw/zinc/71/23/89/387712389.db2.gz YXEPZSZBNWFPIF-QWHCGFSZSA-N 3 0 249.402 1.964 20 0 BDADRP [NH3+]CC1CCC([NH2+]CCN2CCCCC2)CC1 ZINC000422815114 387714175 /nfs/dbraw/zinc/71/41/75/387714175.db2.gz WWGDKAGSCUSSBH-UHFFFAOYSA-N 2 0 239.407 1.579 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCCSC1)[C@H]1CCC[NH2+]1 ZINC000422818602 387716456 /nfs/dbraw/zinc/71/64/56/387716456.db2.gz KYAVVZFGFCDWJD-OUAUKWLOSA-N 2 0 214.378 1.612 20 0 BDADRP CC(C)C[C@H](CN[C@@H](C)C[C@H](C)[NH3+])[NH+](C)C ZINC000422820793 387716999 /nfs/dbraw/zinc/71/69/99/387716999.db2.gz SFYWYZNACNKXAQ-RWMBFGLXSA-N 2 0 229.412 1.678 20 0 BDADRP COC[C@@H](Cc1ccccc1)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422822394 387717705 /nfs/dbraw/zinc/71/77/05/387717705.db2.gz JVPMSIUFZPJEQE-IUODEOHRSA-N 2 0 248.370 1.442 20 0 BDADRP CC(C)C[C@@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)[NH+](C)C ZINC000422821650 387717871 /nfs/dbraw/zinc/71/78/71/387717871.db2.gz XRFIBLPGOHNZBG-IHRRRGAJSA-N 2 0 241.423 1.693 20 0 BDADRP CC[N@H+](CCN[C@@H]1CC[NH2+]CC[C@@H]1C)C1CC1 ZINC000422876967 387755423 /nfs/dbraw/zinc/75/54/23/387755423.db2.gz GZWOECFOXCBDKJ-GXTWGEPZSA-N 2 0 239.407 1.448 20 0 BDADRP CC(C)C[NH+]1CCC(N[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000422821456 387718470 /nfs/dbraw/zinc/71/84/70/387718470.db2.gz WHJOTWRHLTZULO-UONOGXRCSA-N 2 0 239.407 1.576 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCOCc1ccccc1 ZINC000422819617 387718488 /nfs/dbraw/zinc/71/84/88/387718488.db2.gz IPQUXAFDNGWNEA-UONOGXRCSA-N 2 0 234.343 1.673 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])CCCC[C@@H]1O ZINC000422824348 387720550 /nfs/dbraw/zinc/72/05/50/387720550.db2.gz NPIOWDSUJSOMAF-RFQIPJPRSA-N 2 0 240.391 1.645 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CCC[C@H]2[NH3+])CCCC[C@@H]1O ZINC000422823365 387720995 /nfs/dbraw/zinc/72/09/95/387720995.db2.gz LJCPFGUSRQNEKY-FVCCEPFGSA-N 2 0 226.364 1.397 20 0 BDADRP Cc1ncc(C[NH2+][C@@H]2C[C@]2(C)OC(C)C)n1C ZINC000527801625 387723357 /nfs/dbraw/zinc/72/33/57/387723357.db2.gz KWVAQMSRFUIHGY-OLZOCXBDSA-N 2 0 237.347 1.774 20 0 BDADRP COCCCCC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422830680 387723528 /nfs/dbraw/zinc/72/35/28/387723528.db2.gz WCHOXZZGJQUXGD-QWHCGFSZSA-N 2 0 228.380 1.781 20 0 BDADRP CC[C@H](N[C@H]1CCC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000643523013 387725568 /nfs/dbraw/zinc/72/55/68/387725568.db2.gz SYWFZDFECLRWEY-AVGNSLFASA-N 2 0 225.380 1.249 20 0 BDADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)C1(C)CC1 ZINC000127705060 387726350 /nfs/dbraw/zinc/72/63/50/387726350.db2.gz VKUQZGYREDZXKX-QWHCGFSZSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@@H](C[NH2+][C@@H](C)C(C)(C)C)N1CC[NH+](C)CC1 ZINC000127703212 387726656 /nfs/dbraw/zinc/72/66/56/387726656.db2.gz IRPIFGKJPJVTAC-STQMWFEESA-N 2 0 241.423 1.647 20 0 BDADRP C[C@@H](N[C@@H](C)C[NH+]1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000422836698 387728005 /nfs/dbraw/zinc/72/80/05/387728005.db2.gz RSVWBQZQMZQGIB-MJBXVCDLSA-N 2 0 239.407 1.591 20 0 BDADRP COC1CCC(C[NH2+][C@H]2CCC[C@H]2[NH3+])CC1 ZINC000422837321 387728375 /nfs/dbraw/zinc/72/83/75/387728375.db2.gz LXKXYXHTOLACMG-TUUUFIMRSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@H](N[C@H]1CCC[C@@H]([NH+](C)C)C1)C1C[NH2+]C1 ZINC000422839182 387728407 /nfs/dbraw/zinc/72/84/07/387728407.db2.gz PTZGXFFVCPSOSJ-WCFLWFBJSA-N 2 0 225.380 1.057 20 0 BDADRP CC(C)([NH3+])CNC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000422878993 387755849 /nfs/dbraw/zinc/75/58/49/387755849.db2.gz JWIQRGCPNZSAGD-NSHDSACASA-N 2 0 241.379 1.138 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[NH3+])C1(C)C ZINC000422848350 387735722 /nfs/dbraw/zinc/73/57/22/387735722.db2.gz JSEPNKCCRSKPSO-CHWFTXMASA-N 2 0 212.337 1.269 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000643524231 387737086 /nfs/dbraw/zinc/73/70/86/387737086.db2.gz XBFLSVBUTRCPKP-MROQNXINSA-N 2 0 226.364 1.804 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000422891041 387762985 /nfs/dbraw/zinc/76/29/85/387762985.db2.gz ULVRHFXNTYXEDE-FDYHWXHSSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422909056 387768606 /nfs/dbraw/zinc/76/86/06/387768606.db2.gz ZQHAVRQKMIGNAF-RHYQMDGZSA-N 2 0 212.337 1.413 20 0 BDADRP CC[C@@H](C)[N@H+](C)CCN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422912321 387770519 /nfs/dbraw/zinc/77/05/19/387770519.db2.gz VZVBGVPFLFMIPN-HZSPNIEDSA-N 2 0 241.423 1.837 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CCNC(=O)c1ccccc1 ZINC000422913196 387770639 /nfs/dbraw/zinc/77/06/39/387770639.db2.gz PHRDLXNJXKZVEG-LBPRGKRZSA-N 2 0 249.358 1.133 20 0 BDADRP CC[C@@H](C)N(C)CC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422911510 387770745 /nfs/dbraw/zinc/77/07/45/387770745.db2.gz TXOMICBFFSYXHF-IYXRBSQSSA-N 2 0 241.423 1.824 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCNC(=O)c1ccccc1 ZINC000422914075 387771896 /nfs/dbraw/zinc/77/18/96/387771896.db2.gz RKSZWYYXYQJKBD-VXGBXAGGSA-N 2 0 249.358 1.132 20 0 BDADRP COc1cccc(C[C@@H]([NH2+]C[C@H](C)[NH3+])C2CC2)c1 ZINC000643528876 387772908 /nfs/dbraw/zinc/77/29/08/387772908.db2.gz QIQZZURVRFFRNB-XHDPSFHLSA-N 2 0 248.370 1.953 20 0 BDADRP C[C@@H](O)CC(C)(C)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422918721 387775095 /nfs/dbraw/zinc/77/50/95/387775095.db2.gz IMKGQFCGSNMSDY-UPJWGTAASA-N 2 0 242.407 1.904 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H](C)[NH3+] ZINC000643529727 387777017 /nfs/dbraw/zinc/77/70/17/387777017.db2.gz QMTLIBOYMRUMMH-TUAOUCFPSA-N 2 0 213.369 1.234 20 0 BDADRP C[C@@H]([NH3+])C[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000643529674 387777549 /nfs/dbraw/zinc/77/75/49/387777549.db2.gz LPWGKVHBZXPBJV-BXUZGUMPSA-N 2 0 218.344 1.871 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCSC1 ZINC000422921731 387777694 /nfs/dbraw/zinc/77/76/94/387777694.db2.gz QSPBVPWGVMRABH-MXWKQRLJSA-N 2 0 214.378 1.742 20 0 BDADRP CC(C)N1CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])C1=O ZINC000422982796 387794143 /nfs/dbraw/zinc/79/41/43/387794143.db2.gz RJKYTAOXWCNLLH-RYUDHWBXSA-N 2 0 241.379 1.103 20 0 BDADRP CCOc1ncccc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000422962866 387812999 /nfs/dbraw/zinc/81/29/99/387812999.db2.gz GVONDPOANDIATG-WCQYABFASA-N 2 0 249.358 1.697 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCO[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422986493 387795498 /nfs/dbraw/zinc/79/54/98/387795498.db2.gz HALLYZHLZKIIAN-MROQNXINSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+]C2CCC(C[NH3+])CC2)CCO1 ZINC000422985703 387795819 /nfs/dbraw/zinc/79/58/19/387795819.db2.gz FVXUBVPRVQVBRV-NELGMTEASA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)NC1CC[NH+](C(C)(C)C)CC1 ZINC000422986779 387796017 /nfs/dbraw/zinc/79/60/17/387796017.db2.gz HIDZAGVAWDWGBS-NEPJUHHUSA-N 2 0 241.423 1.965 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc2c(c1)COC2 ZINC000422986716 387796729 /nfs/dbraw/zinc/79/67/29/387796729.db2.gz DHFVPIVKGNPQPR-WDEREUQCSA-N 2 0 234.343 1.932 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)C1C[NH2+]C1 ZINC000422987168 387796780 /nfs/dbraw/zinc/79/67/80/387796780.db2.gz FOHNCJIBDDFUMC-LTTZEQNMSA-N 2 0 242.366 1.770 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000422985950 387796809 /nfs/dbraw/zinc/79/68/09/387796809.db2.gz GCFSCJNFPGYABX-GWCFXTLKSA-N 2 0 240.322 1.576 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CC23CC(C2)CO3)[C@H](C)C1 ZINC000527978966 387796907 /nfs/dbraw/zinc/79/69/07/387796907.db2.gz LZQYCCIRVAFWSA-NELGMTEASA-N 2 0 238.375 1.485 20 0 BDADRP CC[C@H](C[C@@H](C)CO)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422989307 387797294 /nfs/dbraw/zinc/79/72/94/387797294.db2.gz AVRMMBBQTQFQQL-NELGMTEASA-N 2 0 242.407 1.891 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCc1ccc(O)cc1 ZINC000422988265 387797627 /nfs/dbraw/zinc/79/76/27/387797627.db2.gz KCHBFYSXIZYKPU-OLZOCXBDSA-N 2 0 220.316 1.404 20 0 BDADRP C[C@H]([NH2+]CC1(CCO)CCC1)[C@@H]1CCCC[NH2+]1 ZINC000422991833 387799976 /nfs/dbraw/zinc/79/99/76/387799976.db2.gz QEIVMLVFRSECMT-STQMWFEESA-N 2 0 240.391 1.659 20 0 BDADRP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)CCO1 ZINC000422990520 387800380 /nfs/dbraw/zinc/80/03/80/387800380.db2.gz NREYJSZINLYVIY-FQUUOJAGSA-N 2 0 240.391 1.920 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCc2ccccc2C1)C1C[NH2+]C1 ZINC000643477988 387802619 /nfs/dbraw/zinc/80/26/19/387802619.db2.gz MLBORIVJNGEIEH-CHWSQXEVSA-N 2 0 244.382 1.989 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCCc1ccccn1 ZINC000423000037 387804110 /nfs/dbraw/zinc/80/41/10/387804110.db2.gz ULKDPPQFERMXHI-NEPJUHHUSA-N 2 0 221.348 1.730 20 0 BDADRP CCOC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](CC)C1 ZINC000222052590 387806307 /nfs/dbraw/zinc/80/63/07/387806307.db2.gz MTHINVHAJPAYTJ-NEPJUHHUSA-N 2 0 214.353 1.343 20 0 BDADRP CC[C@@H](C[NH2+][C@@H](C)CCC[NH3+])N1CCCC1 ZINC000422963413 387813463 /nfs/dbraw/zinc/81/34/63/387813463.db2.gz IMUQONFCXVOKCM-STQMWFEESA-N 2 0 227.396 1.578 20 0 BDADRP Cc1nccn1C[C@H](C)C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422952487 387809396 /nfs/dbraw/zinc/80/93/96/387809396.db2.gz CNEJFMRJBOSBBG-WOPDTQHZSA-N 2 0 238.379 1.543 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCCS1 ZINC000422881241 387757984 /nfs/dbraw/zinc/75/79/84/387757984.db2.gz YKGOECCRRMITJM-WOPDTQHZSA-N 2 0 228.405 1.860 20 0 BDADRP CC[N@H+](CCN[C@@H]1C[NH2+]CC[C@@H]1C)C(C)C ZINC000422881972 387758148 /nfs/dbraw/zinc/75/81/48/387758148.db2.gz RLKKSGAYLGCPLS-QWHCGFSZSA-N 2 0 227.396 1.304 20 0 BDADRP CC[C@H](NCC[N@H+](C)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000422880875 387758280 /nfs/dbraw/zinc/75/82/80/387758280.db2.gz PEAXIEQMZNPQPA-STQMWFEESA-N 2 0 227.396 1.447 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000422882701 387758456 /nfs/dbraw/zinc/75/84/56/387758456.db2.gz SSLRZJSKYPDBMZ-QWRGUYRKSA-N 2 0 243.395 1.240 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(F)cn1 ZINC000422889164 387759556 /nfs/dbraw/zinc/75/95/56/387759556.db2.gz FJCMJBSYITZUBH-BXKDBHETSA-N 2 0 223.295 1.438 20 0 BDADRP CC[C@H]([NH2+]C[C@H](C)CO)[C@H]1CCCC[NH2+]1 ZINC000422971510 387821215 /nfs/dbraw/zinc/82/12/15/387821215.db2.gz IVOSXLALHNFGJT-SDDRHHMPSA-N 2 0 214.353 1.125 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422974922 387823875 /nfs/dbraw/zinc/82/38/75/387823875.db2.gz FRWGVBSFHRTPDT-AXFHLTTASA-N 2 0 202.342 1.253 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)[C@H]1CCC[NH2+]1 ZINC000423004076 387826434 /nfs/dbraw/zinc/82/64/34/387826434.db2.gz JCMPIHOPPVFZLQ-FDYHWXHSSA-N 2 0 226.364 1.268 20 0 BDADRP CCC(CC)(CO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423003391 387826579 /nfs/dbraw/zinc/82/65/79/387826579.db2.gz LWLZFSOFMVMOAH-FUNVUKJBSA-N 2 0 240.391 1.658 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC1(CCO)CCCCC1 ZINC000423005895 387827950 /nfs/dbraw/zinc/82/79/50/387827950.db2.gz NMYVLEPIQFLQJY-OLZOCXBDSA-N 2 0 240.391 1.789 20 0 BDADRP COc1cc(C)cc(C[NH2+][C@@H](C)C2C[NH2+]C2)c1 ZINC000423005801 387829131 /nfs/dbraw/zinc/82/91/31/387829131.db2.gz SVJBDKUMZQMMRE-NSHDSACASA-N 2 0 234.343 1.701 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCC[NH2+]1 ZINC000423006058 387829689 /nfs/dbraw/zinc/82/96/89/387829689.db2.gz NVDGMAOUVPZCRZ-RFGFWPKPSA-N 2 0 240.391 1.658 20 0 BDADRP COc1cccc(CC[NH2+][C@H]2CCC[C@@H]2[NH3+])n1 ZINC000423005926 387829838 /nfs/dbraw/zinc/82/98/38/387829838.db2.gz NPNUPEGYVYVLQJ-RYUDHWBXSA-N 2 0 235.331 1.102 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000442723753 387830753 /nfs/dbraw/zinc/83/07/53/387830753.db2.gz ZQCWMIYYYBXUBL-STQMWFEESA-N 2 0 249.358 1.320 20 0 BDADRP CC(C)[NH+](CCCN[C@H]1CCC[C@@H]1[NH3+])C(C)C ZINC000423008744 387831068 /nfs/dbraw/zinc/83/10/68/387831068.db2.gz ULGHJPPLISGANV-KBPBESRZSA-N 2 0 241.423 1.965 20 0 BDADRP CC[C@H]([NH2+][C@@H](CCC[NH3+])COC)[C@H]1CCCO1 ZINC000423010441 387833692 /nfs/dbraw/zinc/83/36/92/387833692.db2.gz GHDHIWYTZQFEJC-RWMBFGLXSA-N 2 0 244.379 1.288 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000423013664 387835985 /nfs/dbraw/zinc/83/59/85/387835985.db2.gz NEPSFKBURDZWQX-GAIPPQHRSA-N 2 0 212.337 1.269 20 0 BDADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423013773 387836195 /nfs/dbraw/zinc/83/61/95/387836195.db2.gz GRGAIKQMQUPUJV-NNYUYHANSA-N 2 0 214.353 1.517 20 0 BDADRP CO[C@@H]1CCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423013729 387836623 /nfs/dbraw/zinc/83/66/23/387836623.db2.gz GLSSKKNAPJYIFG-SYCZCVCYSA-N 2 0 238.375 1.674 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC[C@H]2[NH3+])CCO1 ZINC000423014727 387838621 /nfs/dbraw/zinc/83/86/21/387838621.db2.gz JDZAJNZPLVQFLP-FDYHWXHSSA-N 2 0 226.364 1.804 20 0 BDADRP CO[C@@H]1CCC[C@H]1C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423015359 387839536 /nfs/dbraw/zinc/83/95/36/387839536.db2.gz KMSXIKURVNJKTD-YVECIDJPSA-N 2 0 226.364 1.532 20 0 BDADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@H](C)C2C[NH2+]C2)C1(C)C ZINC000423016690 387840357 /nfs/dbraw/zinc/84/03/57/387840357.db2.gz NEOXOUWVCBWLHA-CNVPUSNMSA-N 2 0 226.364 1.243 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCSCC(F)(F)F ZINC000423016852 387841222 /nfs/dbraw/zinc/84/12/22/387841222.db2.gz NKFJQKVYIVKMSN-JGVFFNPUSA-N 2 0 242.310 1.751 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@H](CO)CC1CCCC1 ZINC000423024862 387842976 /nfs/dbraw/zinc/84/29/76/387842976.db2.gz MYTOZAOCCYMYEP-AAEUAGOBSA-N 2 0 228.380 1.645 20 0 BDADRP C[C@H](CCN[C@H]1CCC[C@H]1[NH3+])[NH+]1CCCCC1 ZINC000423026153 387843433 /nfs/dbraw/zinc/84/34/33/387843433.db2.gz ARYZCBTVXQFRSQ-MCIONIFRSA-N 2 0 239.407 1.720 20 0 BDADRP Cc1cccc(C[C@@H](CO)[NH2+][C@H](C)C2C[NH2+]C2)c1 ZINC000423075329 387873842 /nfs/dbraw/zinc/87/38/42/387873842.db2.gz WQJATDZDBOIHRC-DOMZBBRYSA-N 2 0 248.370 1.096 20 0 BDADRP Cc1n[nH]cc1[C@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000643533220 387845188 /nfs/dbraw/zinc/84/51/88/387845188.db2.gz UFHAHNWVEBQJCZ-UWVGGRQHSA-N 2 0 224.352 1.886 20 0 BDADRP Cc1n[nH]cc1[C@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000643533222 387845377 /nfs/dbraw/zinc/84/53/77/387845377.db2.gz UFHAHNWVEBQJCZ-ZJUUUORDSA-N 2 0 224.352 1.886 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CC[C@@H]1CCO[C@@H](C)C1 ZINC000423031482 387846421 /nfs/dbraw/zinc/84/64/21/387846421.db2.gz LAGDMFMWCZJYJI-FRRDWIJNSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](CO)CC1CCCC1 ZINC000423032221 387848413 /nfs/dbraw/zinc/84/84/13/387848413.db2.gz XWSQARFRKWMVKL-LOWVWBTDSA-N 2 0 228.380 1.643 20 0 BDADRP CC1=CCN(CC[NH2+][C@H]2CCC[NH2+]CC2)CC1 ZINC000423035733 387850413 /nfs/dbraw/zinc/85/04/13/387850413.db2.gz JWNHVSYOMLXTLZ-AWEZNQCLSA-N 2 0 237.391 1.370 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)NCC1(C[NH+](C)C)CCCC1 ZINC000423037080 387850999 /nfs/dbraw/zinc/85/09/99/387850999.db2.gz MGYAPQRJSQJRQL-OLZOCXBDSA-N 2 0 241.423 1.824 20 0 BDADRP COCCC(C)(C)C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000423038244 387853605 /nfs/dbraw/zinc/85/36/05/387853605.db2.gz ODGQFBPCZNYXMQ-MNOVXSKESA-N 2 0 216.369 1.765 20 0 BDADRP CCC[NH+]1CCC(N[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000396634442 387854107 /nfs/dbraw/zinc/85/41/07/387854107.db2.gz YYOLNBKFUCCBPZ-OCCSQVGLSA-N 2 0 239.407 1.591 20 0 BDADRP CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)CCCC[NH3+] ZINC000423042095 387855103 /nfs/dbraw/zinc/85/51/03/387855103.db2.gz YOWHRVOECNXPGF-JHJVBQTASA-N 2 0 244.379 1.288 20 0 BDADRP C/C=C\C[C@H](CO)[NH2+][C@@H](C)CCCC[NH3+] ZINC000423044471 387855177 /nfs/dbraw/zinc/85/51/77/387855177.db2.gz APEVUXHYDPIBGK-RRNNCXACSA-N 2 0 214.353 1.421 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H](C)c1cnccc1C ZINC000629529401 387874314 /nfs/dbraw/zinc/87/43/14/387874314.db2.gz BITDWHJQRCQIHO-GFCCVEGCSA-N 2 0 237.347 1.277 20 0 BDADRP CC(C)(O)CC[NH2+]C1CCC(C[NH3+])CC1 ZINC000423049361 387857984 /nfs/dbraw/zinc/85/79/84/387857984.db2.gz JRXZWBCPWVKSOR-UHFFFAOYSA-N 2 0 214.353 1.255 20 0 BDADRP C[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])c1ccncc1 ZINC000643460366 387874348 /nfs/dbraw/zinc/87/43/48/387874348.db2.gz WIPJVWSZUGCAER-BNOWGMLFSA-N 2 0 233.359 1.902 20 0 BDADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643536755 387862902 /nfs/dbraw/zinc/86/29/02/387862902.db2.gz WHECPWZGGISSNK-BNOWGMLFSA-N 2 0 249.402 1.201 20 0 BDADRP CC[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@H]12)[C@@H]1CCC[NH2+]1 ZINC000423061268 387865361 /nfs/dbraw/zinc/86/53/61/387865361.db2.gz QIWWPJIKYOKTOY-HTOAHKCRSA-N 2 0 238.375 1.674 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)[C@H]1CCC[NH2+]1 ZINC000423059433 387865376 /nfs/dbraw/zinc/86/53/76/387865376.db2.gz FSMFAUAJNUNREL-UMSGYPCISA-N 2 0 226.364 1.268 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@@H]2CCC[C@H]2CCO)CC1 ZINC000423061232 387865423 /nfs/dbraw/zinc/86/54/23/387865423.db2.gz KGXJMODDLNPACH-GNRIBBGQSA-N 2 0 240.391 1.645 20 0 BDADRP CO[C@@H](C)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000423060863 387866024 /nfs/dbraw/zinc/86/60/24/387866024.db2.gz PLUIAEQEDVWPDV-WHXUTIOJSA-N 2 0 200.326 1.128 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000423063412 387867738 /nfs/dbraw/zinc/86/77/38/387867738.db2.gz WLJFBNGFSUUADW-MEBFFEOJSA-N 2 0 238.375 1.804 20 0 BDADRP CC[C@@H](NCC1([NH+](C)C)CCC1)[C@@H]1CCC[NH2+]1 ZINC000423063693 387868322 /nfs/dbraw/zinc/86/83/22/387868322.db2.gz XGGVAFUSKBVWMJ-OLZOCXBDSA-N 2 0 239.407 1.591 20 0 BDADRP CO[C@@H]1CC[C@@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000423067671 387869267 /nfs/dbraw/zinc/86/92/67/387869267.db2.gz HUFIMZOVQFYRRT-IRCOFANPSA-N 2 0 212.337 1.284 20 0 BDADRP CO[C@@H]1CC[C@@H]([NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000423066004 387870366 /nfs/dbraw/zinc/87/03/66/387870366.db2.gz COVBNHSHWQUBHU-LOWDOPEQSA-N 2 0 226.364 1.674 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1CC[C@@H](O)C1)[C@@H]1CCC[NH2+]1 ZINC000423069532 387871714 /nfs/dbraw/zinc/87/17/14/387871714.db2.gz LWHQLZDCOYSWGQ-NDBYEHHHSA-N 2 0 226.364 1.268 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000423070833 387872257 /nfs/dbraw/zinc/87/22/57/387872257.db2.gz DPEJVEBMGBJGEA-MCIONIFRSA-N 2 0 237.391 1.473 20 0 BDADRP COc1ccc([C@H]2CCN(C[C@@H](C)[NH3+])C2)cc1 ZINC000442658971 387813708 /nfs/dbraw/zinc/81/37/08/387813708.db2.gz AMQPSZJQMMDHPP-YPMHNXCESA-N 2 0 234.343 1.832 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CCN(c2ccccn2)C1 ZINC000422967272 387817023 /nfs/dbraw/zinc/81/70/23/387817023.db2.gz OUJNNGONTXDZBO-STQMWFEESA-N 2 0 248.374 1.377 20 0 BDADRP COc1cc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)ccn1 ZINC000422968293 387817192 /nfs/dbraw/zinc/81/71/92/387817192.db2.gz WEMDFIKNVVUBEB-YPMHNXCESA-N 2 0 249.358 1.568 20 0 BDADRP CCC[C@H](C)[NH2+]C[C@@H](C)N1CC[NH+](CC)CC1 ZINC000053487627 387817687 /nfs/dbraw/zinc/81/76/87/387817687.db2.gz MOEDYFUGTSGJRP-UONOGXRCSA-N 2 0 241.423 1.791 20 0 BDADRP CCC(CC)[C@@H](CN[C@@H](C)C1C[NH2+]C1)[NH+](C)C ZINC000422968620 387818723 /nfs/dbraw/zinc/81/87/23/387818723.db2.gz XIINRNYRONZRHK-SMDDNHRTSA-N 2 0 241.423 1.550 20 0 BDADRP C[C@@H]([NH3+])CN(CCc1ccccc1)[C@H]1CCOC1 ZINC000442667708 387819623 /nfs/dbraw/zinc/81/96/23/387819623.db2.gz ZRHADJBFIMNLRI-HIFRSBDPSA-N 2 0 248.370 1.667 20 0 BDADRP COCC1(C[NH2+][C@@H]2CCC[C@H]2[NH3+])CCC1 ZINC000423104499 387889925 /nfs/dbraw/zinc/88/99/25/387889925.db2.gz BPLSFRZFGWVXPE-GHMZBOCLSA-N 2 0 212.337 1.273 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]C[C@H](O)Cc1ccccc1 ZINC000423112588 387895624 /nfs/dbraw/zinc/89/56/24/387895624.db2.gz SBJKNGHRDXAMTI-MBNYWOFBSA-N 2 0 236.359 1.305 20 0 BDADRP COCC1(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)CCC1 ZINC000423113188 387896291 /nfs/dbraw/zinc/89/62/91/387896291.db2.gz KLSDIPFLCAPXIC-OLZOCXBDSA-N 2 0 240.391 1.781 20 0 BDADRP CO[C@H](CC[NH2+][C@H]1CCC[C@H]1[NH3+])C(F)(F)F ZINC000423076169 387876064 /nfs/dbraw/zinc/87/60/64/387876064.db2.gz YIAHWRRMJUECFW-HRDYMLBCSA-N 2 0 240.269 1.423 20 0 BDADRP C[C@](O)(C[NH2+][C@@H]1CCC[C@@H]1[NH3+])C1CCCCC1 ZINC000423079561 387876078 /nfs/dbraw/zinc/87/60/78/387876078.db2.gz QYETXZDYDSRIDL-MJBXVCDLSA-N 2 0 240.391 1.787 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000423080299 387877197 /nfs/dbraw/zinc/87/71/97/387877197.db2.gz ZLTNCOBGSBGQLD-WRWGMCAJSA-N 2 0 212.337 1.142 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@H]1CCC[C@H]1[NH3+] ZINC000423084029 387878823 /nfs/dbraw/zinc/87/88/23/387878823.db2.gz HABBINULQZYILW-UTUOFQBUSA-N 2 0 213.369 1.186 20 0 BDADRP CSC1(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000423082704 387879231 /nfs/dbraw/zinc/87/92/31/387879231.db2.gz FPWRWKBSWNBVCS-MNOVXSKESA-N 2 0 228.405 1.860 20 0 BDADRP C[C@@H](O)CCC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423084205 387879511 /nfs/dbraw/zinc/87/95/11/387879511.db2.gz HSCUBWNSOWLDLL-UTUOFQBUSA-N 2 0 214.353 1.268 20 0 BDADRP CC[C@H]([NH2+]CCCCCO)[C@@H]1CCC[NH2+]1 ZINC000423088741 387880454 /nfs/dbraw/zinc/88/04/54/387880454.db2.gz SODSPUYXJHXACE-RYUDHWBXSA-N 2 0 214.353 1.269 20 0 BDADRP C[C@@H]([NH2+]CC1(CO)CC2(CCC2)C1)C1C[NH2+]C1 ZINC000423087681 387880491 /nfs/dbraw/zinc/88/04/91/387880491.db2.gz OPPPPNYFGYFMBC-LLVKDONJSA-N 2 0 238.375 1.127 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000643540522 387882085 /nfs/dbraw/zinc/88/20/85/387882085.db2.gz NUSIBVMAEPOKFW-DCAQKATOSA-N 2 0 200.326 1.271 20 0 BDADRP COC[C@H]([NH2+][C@@H](C)CCCC[NH3+])[C@@H]1CCCO1 ZINC000423090264 387883331 /nfs/dbraw/zinc/88/33/31/387883331.db2.gz XBINKVQUNMVRKE-AVGNSLFASA-N 2 0 244.379 1.288 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1)C1C[NH2+]C1 ZINC000423116287 387898706 /nfs/dbraw/zinc/89/87/06/387898706.db2.gz PEYVNBKLFNGXAH-YVECIDJPSA-N 2 0 240.391 1.778 20 0 BDADRP CCSCCC[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423117668 387898716 /nfs/dbraw/zinc/89/87/16/387898716.db2.gz WOOCVJSBNHTDEG-NXEZZACHSA-N 2 0 204.383 1.845 20 0 BDADRP CCC[N@@H+]1CCC[C@H]1CN[C@@H](C)C1C[NH2+]C1 ZINC000423100047 387886746 /nfs/dbraw/zinc/88/67/46/387886746.db2.gz BHWFIPVPZVOSBN-AAEUAGOBSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](CO)CCC(C)(C)C ZINC000423099889 387887766 /nfs/dbraw/zinc/88/77/66/387887766.db2.gz UOFJQFOHSOVHNM-SDDRHHMPSA-N 2 0 230.396 1.889 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423116072 387899264 /nfs/dbraw/zinc/89/92/64/387899264.db2.gz ZKBFSTWKUFASRD-XUXIUFHCSA-N 2 0 240.391 1.779 20 0 BDADRP CCSCCC[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000423116964 387899394 /nfs/dbraw/zinc/89/93/94/387899394.db2.gz SGGHRPCKKFBVEQ-UWVGGRQHSA-N 2 0 202.367 1.599 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc2cc[nH]c2n1 ZINC000423120192 387900938 /nfs/dbraw/zinc/90/09/38/387900938.db2.gz FWZKDRHMFKKQPL-DGCLKSJQSA-N 2 0 244.342 1.780 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]Cc1ncccc1N(C)C ZINC000423121545 387900990 /nfs/dbraw/zinc/90/09/90/387900990.db2.gz IURUNCCFWKWLKV-LLVKDONJSA-N 2 0 236.363 1.365 20 0 BDADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1CCCOC1 ZINC000423124936 387902899 /nfs/dbraw/zinc/90/28/99/387902899.db2.gz PKHOMEYAYULFLO-YUELXQCFSA-N 2 0 248.370 1.714 20 0 BDADRP F[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000423123278 387903262 /nfs/dbraw/zinc/90/32/62/387903262.db2.gz KXPJWHHWZCIBJZ-MXWKQRLJSA-N 2 0 200.301 1.609 20 0 BDADRP COc1ccncc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000423127126 387904618 /nfs/dbraw/zinc/90/46/18/387904618.db2.gz JIJPPLHBUACAPM-CMPLNLGQSA-N 2 0 235.331 1.307 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCC1(F)CCC1 ZINC000423127299 387904958 /nfs/dbraw/zinc/90/49/58/387904958.db2.gz PFPGKQRXDLECKQ-NXEZZACHSA-N 2 0 202.317 1.984 20 0 BDADRP CCCC[N@H+](C)C[C@@H](C)N[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423129425 387907234 /nfs/dbraw/zinc/90/72/34/387907234.db2.gz XAHBDMJPFGQXQI-MCIONIFRSA-N 2 0 241.423 1.837 20 0 BDADRP C[C@H]([NH2+]C[C@H](CO)C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000423142772 387919509 /nfs/dbraw/zinc/91/95/09/387919509.db2.gz VWJLEPXZGXRVHP-UHTWSYAYSA-N 2 0 226.364 1.125 20 0 BDADRP C[C@H](CCO)CC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423142918 387919613 /nfs/dbraw/zinc/91/96/13/387919613.db2.gz BQERAFJCXLMNNF-RWMBFGLXSA-N 2 0 228.380 1.645 20 0 BDADRP CCC[N@H+](CC)C[C@@H](C)N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423133167 387910083 /nfs/dbraw/zinc/91/00/83/387910083.db2.gz CHAZPGBTAQKELW-RDBSUJKOSA-N 2 0 241.423 1.837 20 0 BDADRP C[C@H]([NH2+]C[C@@H](CO)C1CCCCC1)C1C[NH2+]C1 ZINC000423132418 387910102 /nfs/dbraw/zinc/91/01/02/387910102.db2.gz JGCMRKKTONZDIZ-FZMZJTMJSA-N 2 0 240.391 1.373 20 0 BDADRP C[C@H](F)CC[NH2+]C1CCC(C[NH3+])CC1 ZINC000423133914 387911612 /nfs/dbraw/zinc/91/16/12/387911612.db2.gz LLMHDKGOBIPURT-WHXUTIOJSA-N 2 0 202.317 1.842 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)N[C@H]1C[NH2+]CC[C@H]1C ZINC000423135211 387912370 /nfs/dbraw/zinc/91/23/70/387912370.db2.gz FNNZXLABHVHHKD-RDBSUJKOSA-N 2 0 241.423 1.694 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCC[C@@H]1CCOC1 ZINC000423153262 387931397 /nfs/dbraw/zinc/93/13/97/387931397.db2.gz HENHQHSDZSADFK-MGPQQGTHSA-N 2 0 240.391 1.781 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)CC(C)(C)O)[C@@H]1CCC[NH2+]1 ZINC000423154407 387932508 /nfs/dbraw/zinc/93/25/08/387932508.db2.gz HPVQUAOKZWFQLJ-SRVKXCTJSA-N 2 0 228.380 1.656 20 0 BDADRP CC[C@@H]([NH2+]C1CCC(C[NH3+])CC1)[C@@H](C)O ZINC000423153933 387932901 /nfs/dbraw/zinc/93/29/01/387932901.db2.gz OELXQPQTYQUMQW-HBIQZDMRSA-N 2 0 214.353 1.253 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC(C)(C)C(C)(C)O ZINC000423155699 387933866 /nfs/dbraw/zinc/93/38/66/387933866.db2.gz LIIOAYCKNHOFDW-NWDGAFQWSA-N 2 0 242.407 1.761 20 0 BDADRP [NH3+]CC1CCC([NH2+]C[C@@H](CO)C2CC2)CC1 ZINC000423143565 387920199 /nfs/dbraw/zinc/92/01/99/387920199.db2.gz XIIIYTYSSVXIKW-YDGIUTOCSA-N 2 0 226.364 1.112 20 0 BDADRP Cc1csc(C[NH2+][C@H](C)C2C[NH2+]C2)c1 ZINC000423147047 387925124 /nfs/dbraw/zinc/92/51/24/387925124.db2.gz BWBLLTAVQZPSIE-SECBINFHSA-N 2 0 210.346 1.754 20 0 BDADRP C[C@@H](CCO)CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423146727 387925427 /nfs/dbraw/zinc/92/54/27/387925427.db2.gz QDZDQDRXDVKLHR-UTUOFQBUSA-N 2 0 214.353 1.125 20 0 BDADRP Cc1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)s1 ZINC000050225617 387927298 /nfs/dbraw/zinc/92/72/98/387927298.db2.gz FMBDAEXHWIUTQA-SNVBAGLBSA-N 2 0 210.346 1.837 20 0 BDADRP CC[C@H]([NH2+][C@H]1CC[C@@H](CO)C1)[C@@H]1CCCC[NH2+]1 ZINC000423150105 387928163 /nfs/dbraw/zinc/92/81/63/387928163.db2.gz AXVAMKPXAACZGH-RFGFWPKPSA-N 2 0 240.391 1.658 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000423167898 387951884 /nfs/dbraw/zinc/95/18/84/387951884.db2.gz FZOKAXLTRYAAGE-WDEREUQCSA-N 3 0 232.331 1.550 20 0 BDADRP Cc1noc(CCC[NH2+][C@@H]2CCCC[C@H]2[NH3+])n1 ZINC000424285601 387952945 /nfs/dbraw/zinc/95/29/45/387952945.db2.gz GBGXPPFAGXHCBT-GHMZBOCLSA-N 2 0 238.335 1.170 20 0 BDADRP COc1cccc2c1C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)C2 ZINC000423167422 387953194 /nfs/dbraw/zinc/95/31/94/387953194.db2.gz FDDPIVZZRDWGQE-GXFFZTMASA-N 2 0 246.354 1.360 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])O1 ZINC000423160780 387941944 /nfs/dbraw/zinc/94/19/44/387941944.db2.gz HVONGXSCTFCEJM-FDYHWXHSSA-N 2 0 226.364 1.804 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCOCC1CCCC1 ZINC000423161829 387943511 /nfs/dbraw/zinc/94/35/11/387943511.db2.gz JTMZIVQVNNQEEW-VXGBXAGGSA-N 2 0 228.380 1.909 20 0 BDADRP Cc1ccc(CC[NH2+][C@@H](C)C[C@@H](C)[NH3+])nc1 ZINC000423162387 387944373 /nfs/dbraw/zinc/94/43/73/387944373.db2.gz KYWBNHQTKWTRKJ-NEPJUHHUSA-N 2 0 221.348 1.648 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000423164100 387945287 /nfs/dbraw/zinc/94/52/87/387945287.db2.gz NVRVUVRGFYGISZ-YVECIDJPSA-N 2 0 226.364 1.125 20 0 BDADRP CC[C@H](C)[C@H](C[NH2+][C@H]1CCC[C@@H]1[NH3+])OC ZINC000423162889 387945702 /nfs/dbraw/zinc/94/57/02/387945702.db2.gz URQILDMWKMZKOM-BJDJZHNGSA-N 2 0 214.353 1.517 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCC[C@H]1CCOC1 ZINC000423163657 387946645 /nfs/dbraw/zinc/94/66/45/387946645.db2.gz RFOATUAFLMFXKC-TUAOUCFPSA-N 2 0 214.353 1.519 20 0 BDADRP COCC[C@H](C)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423165603 387947249 /nfs/dbraw/zinc/94/72/49/387947249.db2.gz BGUSJERKBAFARG-SRVKXCTJSA-N 2 0 214.353 1.389 20 0 BDADRP CCC1(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])COC1 ZINC000423166645 387949952 /nfs/dbraw/zinc/94/99/52/387949952.db2.gz VNYWFOBTKAINQV-NWDGAFQWSA-N 2 0 226.364 1.663 20 0 BDADRP CC[C@H](C)[C@H](C[NH2+][C@H](C)C1C[NH2+]C1)OC ZINC000423165959 387950904 /nfs/dbraw/zinc/95/09/04/387950904.db2.gz YNEXBUJWVGZDMM-UMNHJUIQSA-N 2 0 214.353 1.245 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000423172952 387958946 /nfs/dbraw/zinc/95/89/46/387958946.db2.gz WCLFXXPBXNESNO-HZSPNIEDSA-N 3 0 239.407 1.435 20 0 BDADRP C[C@@H]([NH2+]C1(C2CCC2)CCC1)C1C[NH2+]C1 ZINC000423171610 387959096 /nfs/dbraw/zinc/95/90/96/387959096.db2.gz PDZCGWSLSMHMGS-SNVBAGLBSA-N 2 0 208.349 1.907 20 0 BDADRP CC[C@H](NCC1([NH3+])CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000423187190 387972111 /nfs/dbraw/zinc/97/21/11/387972111.db2.gz XJJXORAWYRRCKF-STQMWFEESA-N 2 0 239.407 1.768 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2([NH3+])CCCCC2)[C@@H](C)O1 ZINC000423176606 387962373 /nfs/dbraw/zinc/96/23/73/387962373.db2.gz HGDWZIFVHBZAJI-UTUOFQBUSA-N 2 0 226.364 1.804 20 0 BDADRP CC[N@H+](CC[C@@H]1CCC[NH+]1C)C[C@H]1CCCO1 ZINC000245597161 387964142 /nfs/dbraw/zinc/96/41/42/387964142.db2.gz HTLFEPKSNCURGM-UONOGXRCSA-N 2 0 240.391 1.972 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000423177778 387964966 /nfs/dbraw/zinc/96/49/66/387964966.db2.gz HWCBZQNRFVFMRN-DDHJBXDOSA-N 2 0 220.316 1.853 20 0 BDADRP [NH3+]CCC[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000423180029 387965574 /nfs/dbraw/zinc/96/55/74/387965574.db2.gz DTUDTXNQSMHPCA-LBPRGKRZSA-N 2 0 223.295 1.610 20 0 BDADRP CCCCO[C@H]1C[C@@H]([NH2+]CCC[NH3+])C1(C)C ZINC000423186057 387972232 /nfs/dbraw/zinc/97/22/32/387972232.db2.gz JWWRLUOHYKBDME-NEPJUHHUSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NCC[NH3+])C1 ZINC000423182374 387967237 /nfs/dbraw/zinc/96/72/37/387967237.db2.gz LPRQRUWFAPWAPZ-JSGCOSHPSA-N 2 0 233.359 1.370 20 0 BDADRP C[C@H]([NH2+]CCC[NH3+])c1ccc(-n2cccn2)cc1 ZINC000423183402 387968290 /nfs/dbraw/zinc/96/82/90/387968290.db2.gz RQSVAWMTQSLGKV-LBPRGKRZSA-N 2 0 244.342 1.872 20 0 BDADRP C[C@@H]([NH2+]CCC[NH3+])c1cccc(-n2ccnn2)c1 ZINC000423183226 387968471 /nfs/dbraw/zinc/96/84/71/387968471.db2.gz HKJFHNGNSLUYDJ-LLVKDONJSA-N 2 0 245.330 1.267 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CC1([NH3+])CCCCC1 ZINC000423185008 387968995 /nfs/dbraw/zinc/96/89/95/387968995.db2.gz ULNRXQBJRUVXBV-GFCCVEGCSA-N 3 0 227.396 1.755 20 0 BDADRP CC[C@H]([NH2+][C@H](C)CCC[NH3+])[C@@H](O)C(C)C ZINC000423184121 387969665 /nfs/dbraw/zinc/96/96/65/387969665.db2.gz MXLSFZMKEFWRTM-WOPDTQHZSA-N 2 0 216.369 1.499 20 0 BDADRP COC[C@H]([NH2+]CCC[NH3+])C1CCCC1 ZINC000423184339 387970437 /nfs/dbraw/zinc/97/04/37/387970437.db2.gz IJKMWQXKRQSJRP-NSHDSACASA-N 2 0 200.326 1.130 20 0 BDADRP COc1ccc([C@@H](NCC[NH3+])[C@@H]2CCC[NH2+]2)cc1 ZINC000423183679 387970479 /nfs/dbraw/zinc/97/04/79/387970479.db2.gz LORYNWVJSFZXDR-UONOGXRCSA-N 2 0 249.358 1.037 20 0 BDADRP C[C@H](NCC1([NH3+])CCCCC1)[C@H]1CCC[NH2+]1 ZINC000423187883 387971664 /nfs/dbraw/zinc/97/16/64/387971664.db2.gz YJMSIRZXVIZQRT-NWDGAFQWSA-N 2 0 225.380 1.378 20 0 BDADRP Cc1cccc2c1CC[C@H]2[NH2+]CCC[NH3+] ZINC000423186748 387971704 /nfs/dbraw/zinc/97/17/04/387971704.db2.gz XDNQGOFOUPFQOT-CYBMUJFWSA-N 2 0 204.317 1.921 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCC[NH2+]1 ZINC000423170882 387957147 /nfs/dbraw/zinc/95/71/47/387957147.db2.gz NAEWIVHUIZEIFZ-IHRRRGAJSA-N 3 0 239.407 1.448 20 0 BDADRP C[C@@H]1CCNC[C@H]1[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000423171514 387957570 /nfs/dbraw/zinc/95/75/70/387957570.db2.gz OSWUHKDSXFUOCD-MGPQQGTHSA-N 2 0 239.407 1.306 20 0 BDADRP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)[C@@H](O)C(C)C ZINC000423190933 387976565 /nfs/dbraw/zinc/97/65/65/387976565.db2.gz SERDGWXZLGSZSY-XQHKEYJVSA-N 2 0 228.380 1.512 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H](C)O[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423191365 387976629 /nfs/dbraw/zinc/97/66/29/387976629.db2.gz SRFCNEKEYDCIDB-SJHCENCUSA-N 2 0 226.364 1.530 20 0 BDADRP COCC1CCC([NH2+][C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000423192865 387977933 /nfs/dbraw/zinc/97/79/33/387977933.db2.gz VFCZMKIGCWGFBS-HHTDUIENSA-N 2 0 240.391 1.909 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000423201218 387987876 /nfs/dbraw/zinc/98/78/76/387987876.db2.gz OBRUFALNVHRTNZ-XQQFMLRXSA-N 2 0 238.375 1.533 20 0 BDADRP CCOC[C@@H]1CCC[C@H]1[NH2+]CCC[NH2+]C ZINC000423202808 387989665 /nfs/dbraw/zinc/98/96/65/387989665.db2.gz RFEGVYBWHIDXAH-NWDGAFQWSA-N 2 0 214.353 1.391 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cccc(CO)c1 ZINC000423204728 387991057 /nfs/dbraw/zinc/99/10/57/387991057.db2.gz DNYDGXAWPMJTSD-TZMCWYRMSA-N 2 0 248.370 1.829 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cccc(CO)c1 ZINC000423204726 387991219 /nfs/dbraw/zinc/99/12/19/387991219.db2.gz DNYDGXAWPMJTSD-JSGCOSHPSA-N 2 0 248.370 1.829 20 0 BDADRP C(CN1CC[NH2+]CC1)[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000423206347 387992176 /nfs/dbraw/zinc/99/21/76/387992176.db2.gz QNBBOTZXQWFNIW-UONOGXRCSA-N 2 0 237.391 1.060 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000423207669 387993247 /nfs/dbraw/zinc/99/32/47/387993247.db2.gz YBQUCFOCKPCBAX-QJPTWQEYSA-N 2 0 226.364 1.389 20 0 BDADRP C[NH2+]CCC[NH2+][C@H](C)c1ccc(NC(C)=O)cc1 ZINC000423209142 387993330 /nfs/dbraw/zinc/99/33/30/387993330.db2.gz ZRUDYPVQRCZEDC-LLVKDONJSA-N 2 0 249.358 1.905 20 0 BDADRP C[C@H]([NH2+]CC1CC(F)(F)C1)[C@@H]1CCC[NH2+]1 ZINC000400518922 387994702 /nfs/dbraw/zinc/99/47/02/387994702.db2.gz GTPSUJAKQJFEPO-WPRPVWTQSA-N 2 0 218.291 1.762 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCC[C@H]1O ZINC000424369524 387995086 /nfs/dbraw/zinc/99/50/86/387995086.db2.gz CNYSXBSOBITQOG-HBNTYKKESA-N 2 0 200.326 1.007 20 0 BDADRP C[NH2+]CCC[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000423197941 387983846 /nfs/dbraw/zinc/98/38/46/387983846.db2.gz CBYLXHWWENWPBM-AWEZNQCLSA-N 2 0 234.343 1.969 20 0 BDADRP CCCC[C@H](C)[C@@H](C)[NH2+]CCN1CC[NH2+]CC1 ZINC000423199213 387985385 /nfs/dbraw/zinc/98/53/85/387985385.db2.gz AULOAGZZBTVUTR-UONOGXRCSA-N 2 0 241.423 1.696 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC[C@@H]1CCC[NH2+]C1 ZINC000423214251 387997310 /nfs/dbraw/zinc/99/73/10/387997310.db2.gz ONFHYTGPMPNHSH-BZPMIXESSA-N 2 0 237.391 1.058 20 0 BDADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)[C@H]1CCCO1 ZINC000420398318 387997798 /nfs/dbraw/zinc/99/77/98/387997798.db2.gz GWQYFQVXFDTIAT-DGCLKSJQSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424375174 387998541 /nfs/dbraw/zinc/99/85/41/387998541.db2.gz MMZXZBLTMTXJBH-IGHBBLSQSA-N 2 0 237.391 1.329 20 0 BDADRP C[C@@H]1C[C@@H](N[C@@H]2CCCC[C@H]2[NH3+])CC[N@@H+]1C ZINC000424376495 387999549 /nfs/dbraw/zinc/99/95/49/387999549.db2.gz PKGURUYHTJNCMX-YVECIDJPSA-N 2 0 225.380 1.329 20 0 BDADRP C[N@H+](CCOCC(F)(F)F)CC(C)(C)C[NH3+] ZINC000086638467 135091689 /nfs/dbraw/zinc/09/16/89/135091689.db2.gz MPKMPALYCLRXRO-UHFFFAOYSA-N 2 0 242.285 1.482 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000246015472 388002423 /nfs/dbraw/zinc/00/24/23/388002423.db2.gz SSCZUFZLJGZCTH-AGIUHOORSA-N 2 0 226.364 1.364 20 0 BDADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000423221686 388002789 /nfs/dbraw/zinc/00/27/89/388002789.db2.gz XQOCZJYYHVVVBH-REWJHTLYSA-N 2 0 239.407 1.304 20 0 BDADRP C[C@@H]([NH3+])CC[NH2+][C@H]1CCc2ccccc2OC1 ZINC000423224160 388006346 /nfs/dbraw/zinc/00/63/46/388006346.db2.gz IJYHPKZQHAZVQT-YPMHNXCESA-N 2 0 234.343 1.707 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCSC2)CCN1C ZINC000156610042 388009819 /nfs/dbraw/zinc/00/98/19/388009819.db2.gz CFDCVPUVCOYHBM-IJLUTSLNSA-N 2 0 228.405 1.954 20 0 BDADRP C[C@H]([NH3+])CCN[C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423225882 388009958 /nfs/dbraw/zinc/00/99/58/388009958.db2.gz OPMMCSZEBOBWSW-SGMGOOAPSA-N 2 0 235.375 1.272 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])[C@@H](C)O1 ZINC000424373222 387996067 /nfs/dbraw/zinc/99/60/67/387996067.db2.gz JDMIODVQJYAAPN-OOCWMUITSA-N 2 0 212.337 1.412 20 0 BDADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H]2CCCO2)C1 ZINC000246115995 388011438 /nfs/dbraw/zinc/01/14/38/388011438.db2.gz CMBPLRFARNKODR-ZIAGYGMSSA-N 2 0 240.391 1.829 20 0 BDADRP C([C@H]1CCCO1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246155963 388015389 /nfs/dbraw/zinc/01/53/89/388015389.db2.gz GUHUDIHUGSTLQL-UONOGXRCSA-N 2 0 238.375 1.583 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@H]([NH3+])c1ccccc1 ZINC000423233613 388018190 /nfs/dbraw/zinc/01/81/90/388018190.db2.gz DVEWCZDDYQWVNT-XBFCOCLRSA-N 2 0 233.359 1.226 20 0 BDADRP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1ccc2c(c1)OCO2 ZINC000423234120 388018667 /nfs/dbraw/zinc/01/86/67/388018667.db2.gz PCFFHHRHZOIZGW-VHSXEESVSA-N 2 0 236.315 1.803 20 0 BDADRP CC1(C)[C@H]([NH2+]C[C@@H]2CCC[NH2+]2)[C@@H]2CCCO[C@H]21 ZINC000423235887 388020916 /nfs/dbraw/zinc/02/09/16/388020916.db2.gz NMHSLUHHIVFHRU-WUHRBBMRSA-N 2 0 238.375 1.532 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H]([NH3+])c1ccccc1 ZINC000423238395 388022309 /nfs/dbraw/zinc/02/23/09/388022309.db2.gz ADEASRPINKRBQP-XBFCOCLRSA-N 2 0 233.359 1.274 20 0 BDADRP CC[C@H](NC[C@H]([NH3+])c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423249309 388032276 /nfs/dbraw/zinc/03/22/76/388032276.db2.gz OPFZOBFNLSCNRV-KKUMJFAQSA-N 2 0 247.386 1.807 20 0 BDADRP C(C[C@H]1CC[NH2+]C1)[NH2+][C@H]1CCC12CCC2 ZINC000423254529 388034729 /nfs/dbraw/zinc/03/47/29/388034729.db2.gz YHWSQRRMSJCYOP-NEPJUHHUSA-N 2 0 208.349 1.908 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1NC[C@H]([NH3+])c1ccccc1 ZINC000423254583 388035063 /nfs/dbraw/zinc/03/50/63/388035063.db2.gz YOWGDDSIFNXSKR-MELADBBJSA-N 2 0 233.359 1.403 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H]([NH3+])c1ccccc1 ZINC000423254099 388035560 /nfs/dbraw/zinc/03/55/60/388035560.db2.gz XCYIHHKLBGNCAY-SNPRPXQTSA-N 2 0 247.386 1.664 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccccn2)CC1 ZINC000082474684 388035767 /nfs/dbraw/zinc/03/57/67/388035767.db2.gz XWWVMIYCZODZKS-NSHDSACASA-N 2 0 219.332 1.641 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(F)cn1 ZINC000423254051 388035990 /nfs/dbraw/zinc/03/59/90/388035990.db2.gz WWZGUARRXDEGEE-GHMZBOCLSA-N 2 0 237.322 1.871 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000423255947 388036572 /nfs/dbraw/zinc/03/65/72/388036572.db2.gz AZLCAOILMVFPTN-TUAOUCFPSA-N 2 0 214.353 1.247 20 0 BDADRP C[NH2+]C[C@H](C)CN[C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423256219 388036781 /nfs/dbraw/zinc/03/67/81/388036781.db2.gz BMRUKDJPVWUVJM-KCQAQPDRSA-N 2 0 249.402 1.390 20 0 BDADRP [NH3+][C@H](CN[C@@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000423254822 388037268 /nfs/dbraw/zinc/03/72/68/388037268.db2.gz ZPQPPKLTCIMIQG-JHJVBQTASA-N 2 0 219.332 1.156 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1cnn(C)c1 ZINC000423257148 388038212 /nfs/dbraw/zinc/03/82/12/388038212.db2.gz HTTJJGNGZNGZBS-NEPJUHHUSA-N 2 0 236.363 1.460 20 0 BDADRP C[C@H](N[C@H](C[NH3+])C1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000423258628 388038657 /nfs/dbraw/zinc/03/86/57/388038657.db2.gz CDWPYUOJIKYDTQ-FPMFFAJLSA-N 2 0 239.407 1.624 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1cnccc1C ZINC000423265660 388043699 /nfs/dbraw/zinc/04/36/99/388043699.db2.gz COCIBYHYXPZFMB-PWSUYJOCSA-N 2 0 221.348 1.896 20 0 BDADRP CC[N@H+]1C[C@H](N[C@@H](C[NH3+])CC(C)C)[C@@H](C)C1 ZINC000423265357 388043859 /nfs/dbraw/zinc/04/38/59/388043859.db2.gz QVGYGPYEOYFBRB-XQQFMLRXSA-N 2 0 227.396 1.290 20 0 BDADRP C[C@@H](NC[C@@H]([NH3+])c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000423244546 388027450 /nfs/dbraw/zinc/02/74/50/388027450.db2.gz HRSQNVZJZVXTPU-BPLDGKMQSA-N 2 0 247.386 1.807 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC[C@H]([NH3+])c1ccccc1 ZINC000423246473 388029583 /nfs/dbraw/zinc/02/95/83/388029583.db2.gz KCVFCUZBPNBVKW-GVXVVHGQSA-N 2 0 221.348 1.402 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)C1CCSCC1 ZINC000423246344 388029601 /nfs/dbraw/zinc/02/96/01/388029601.db2.gz ZENHJMQWNAJABX-ZYHUDNBSSA-N 2 0 228.405 1.860 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@H]1CCCO1 ZINC000453278967 388031877 /nfs/dbraw/zinc/03/18/77/388031877.db2.gz DMPKCBRDQSIQEM-YVECIDJPSA-N 2 0 226.364 1.484 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)C1CCSCC1 ZINC000423271664 388051160 /nfs/dbraw/zinc/05/11/60/388051160.db2.gz JFDFSYAEZSSCOC-WDEREUQCSA-N 2 0 230.421 1.963 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCCOCC1 ZINC000083424426 388053433 /nfs/dbraw/zinc/05/34/33/388053433.db2.gz XQGXETSULLCRNQ-CYBMUJFWSA-N 2 0 228.380 1.877 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000423275559 388057475 /nfs/dbraw/zinc/05/74/75/388057475.db2.gz LTNPUVOKDLCLKZ-USZNOCQGSA-N 2 0 214.353 1.517 20 0 BDADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000423277768 388058048 /nfs/dbraw/zinc/05/80/48/388058048.db2.gz OPQDISZMBOAQHR-RFQIPJPRSA-N 2 0 239.407 1.434 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000423278578 388060386 /nfs/dbraw/zinc/06/03/86/388060386.db2.gz QWQIYTSIQSUZRF-RTXFEEFZSA-N 2 0 225.380 1.042 20 0 BDADRP COC[C@H]([NH2+]CC(C)(C)[NH3+])C1CCCC1 ZINC000423281167 388064101 /nfs/dbraw/zinc/06/41/01/388064101.db2.gz APMHEEMJDGXMKQ-NSHDSACASA-N 2 0 214.353 1.519 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](COC)C(C)C ZINC000423284647 388066779 /nfs/dbraw/zinc/06/67/79/388066779.db2.gz YQBMBPVWAWBYJN-GHMZBOCLSA-N 2 0 202.342 1.103 20 0 BDADRP [NH3+]C[C@H](N[C@@H]1C[C@H]([NH3+])c2ccccc21)C1CC1 ZINC000423285451 388069571 /nfs/dbraw/zinc/06/95/71/388069571.db2.gz YCESZRNBISWFMD-MJBXVCDLSA-N 2 0 231.343 1.458 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000423285428 388069698 /nfs/dbraw/zinc/06/96/98/388069698.db2.gz ZHHUVSSEECRWGD-UTUOFQBUSA-N 2 0 213.369 1.077 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)Cc1ccoc1 ZINC000423285739 388069961 /nfs/dbraw/zinc/06/99/61/388069961.db2.gz ZYIVDOCFYYMSNG-MNOVXSKESA-N 2 0 210.321 1.656 20 0 BDADRP CCC([NH3+])(CC)C[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000423288721 388072963 /nfs/dbraw/zinc/07/29/63/388072963.db2.gz UQTJQGSUMJYFGG-QWRGUYRKSA-N 2 0 214.353 1.661 20 0 BDADRP CCN1C[C@H](C)[C@H]([NH2+]CCc2cnc(C)cn2)C1 ZINC000453402741 388073810 /nfs/dbraw/zinc/07/38/10/388073810.db2.gz NPWCBPZUPHZVPJ-SMDDNHRTSA-N 2 0 248.374 1.257 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@H]2CN(C)C[C@H]2C)O1 ZINC000453403019 388074084 /nfs/dbraw/zinc/07/40/84/388074084.db2.gz GQFSMWWCZKIFJD-KKOKHZNYSA-N 2 0 212.337 1.094 20 0 BDADRP CC[C@H]([NH2+]CC([NH3+])(CC)CC)[C@H]1CCOC1 ZINC000423290004 388074522 /nfs/dbraw/zinc/07/45/22/388074522.db2.gz YYVWLSHODZZLML-RYUDHWBXSA-N 2 0 228.380 1.909 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCc1ccccc1 ZINC000084217628 388075175 /nfs/dbraw/zinc/07/51/75/388075175.db2.gz MJWVYQZVSVNYLY-ZIAGYGMSSA-N 2 0 218.344 1.946 20 0 BDADRP CCC(CC)(C[NH3+])C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000447521819 388075356 /nfs/dbraw/zinc/07/53/56/388075356.db2.gz XGPBCBFTQZGXNG-MNOVXSKESA-N 2 0 241.379 1.008 20 0 BDADRP CCN1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000084220375 388075492 /nfs/dbraw/zinc/07/54/92/388075492.db2.gz HCIYRYRJQMSJJL-FRRDWIJNSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@H]1CC[N@H+](CC(C)(C)[NH3+])CCS1 ZINC000261527571 135152365 /nfs/dbraw/zinc/15/23/65/135152365.db2.gz CWXRPSOBHLJUHY-VIFPVBQESA-N 2 0 202.367 1.551 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@@H]1CCC[C@H]1C[NH3+] ZINC000423294470 388077657 /nfs/dbraw/zinc/07/76/57/388077657.db2.gz CBUIWYVCYCIZGH-QJPTWQEYSA-N 2 0 213.369 1.221 20 0 BDADRP CCCC[C@@H](C[NH3+])N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423297760 388080123 /nfs/dbraw/zinc/08/01/23/388080123.db2.gz LTQRGNRWVHPCQS-SRVKXCTJSA-N 2 0 213.369 1.234 20 0 BDADRP Cc1ncc(C[NH2+]CCCC[N@@H+](C)C2CC2)cn1 ZINC000453598477 388090265 /nfs/dbraw/zinc/09/02/65/388090265.db2.gz PJCAGLCZGIAMCB-UHFFFAOYSA-N 2 0 248.374 1.749 20 0 BDADRP C[C@@H]1CCC[C@@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000086671282 388105537 /nfs/dbraw/zinc/10/55/37/388105537.db2.gz VOMUHXMJEAUHET-KGLIPLIRSA-N 2 0 239.407 1.402 20 0 BDADRP C[NH+](C)[C@@H](CN[C@H]1CC[NH2+]C1)c1cccs1 ZINC000086725523 388107562 /nfs/dbraw/zinc/10/75/62/388107562.db2.gz IIWNOHOMNFVYTP-QWRGUYRKSA-N 2 0 239.388 1.302 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423268405 388046919 /nfs/dbraw/zinc/04/69/19/388046919.db2.gz DNXAQHXPHHGYIG-JHJVBQTASA-N 3 0 227.396 1.611 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)C12CCC2 ZINC000423269073 388047176 /nfs/dbraw/zinc/04/71/76/388047176.db2.gz GZNIJLJAJLCHPU-YNEHKIRRSA-N 2 0 240.391 1.907 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000423268327 388047575 /nfs/dbraw/zinc/04/75/75/388047575.db2.gz FZLMBVLTFCKEDN-PWSUYJOCSA-N 2 0 236.363 1.243 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)[C@H](C)O1 ZINC000423268313 388048301 /nfs/dbraw/zinc/04/83/01/388048301.db2.gz FYRVPZUTKRPNIO-VOAKCMCISA-N 2 0 226.364 1.532 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1cccnc1 ZINC000423272065 388050674 /nfs/dbraw/zinc/05/06/74/388050674.db2.gz JQBAHXVZCDYRRU-QWRGUYRKSA-N 2 0 207.321 1.588 20 0 BDADRP C[C@H](C[NH2+]C[C@@H]1C[C@H]1C)CN1CC[NH+](C)CC1 ZINC000488450664 388180191 /nfs/dbraw/zinc/18/01/91/388180191.db2.gz QXKBGBBMKCCJCD-MCIONIFRSA-N 2 0 239.407 1.116 20 0 BDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@H]1C[C@@H]1C ZINC000488526690 388184053 /nfs/dbraw/zinc/18/40/53/388184053.db2.gz AVCOJFZTNKIVLP-BFHYXJOUSA-N 2 0 239.407 1.258 20 0 BDADRP C[C@H]1C[C@@H]1C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000488585381 388186440 /nfs/dbraw/zinc/18/64/40/388186440.db2.gz UAHCOSLTQYHGKR-QWHCGFSZSA-N 2 0 239.407 1.258 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CSC[C@@H]1C ZINC000449078310 388140063 /nfs/dbraw/zinc/14/00/63/388140063.db2.gz LVYSGETTXODVEH-NWDGAFQWSA-N 2 0 246.420 1.296 20 0 BDADRP CCSCC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261527978 135152849 /nfs/dbraw/zinc/15/28/49/135152849.db2.gz IJDMYIABWSOESS-LLVKDONJSA-N 2 0 214.378 1.425 20 0 BDADRP C[C@H](Cc1ccoc1)[NH2+]C[C@@H]1CCCN1C ZINC000449105627 388142859 /nfs/dbraw/zinc/14/28/59/388142859.db2.gz ZJANLRXIQBDJSL-YPMHNXCESA-N 2 0 222.332 1.894 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCCN1CCCO)C1CC1 ZINC000449387917 388190445 /nfs/dbraw/zinc/19/04/45/388190445.db2.gz NMPLBVQCUIGHII-WCQYABFASA-N 2 0 226.364 1.221 20 0 BDADRP CCN1C[C@H]([NH2+]CCC(C)(C)CO)[C@@H](C)C1 ZINC000449410000 388197139 /nfs/dbraw/zinc/19/71/39/388197139.db2.gz XNMZWDHYUUCOAB-RYUDHWBXSA-N 2 0 228.380 1.325 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCC(C)(C)CO)[C@H](C)C1 ZINC000449410197 388198071 /nfs/dbraw/zinc/19/80/71/388198071.db2.gz YLNYOQIYDTZJDD-CHWSQXEVSA-N 2 0 242.407 1.715 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](CO)C2)[C@@H](C)C1 ZINC000449430540 388203942 /nfs/dbraw/zinc/20/39/42/388203942.db2.gz XTZRRXDPPUKQCH-CRWXNKLISA-N 2 0 240.391 1.467 20 0 BDADRP CCC[C@H]([NH3+])C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000489480027 388215960 /nfs/dbraw/zinc/21/59/60/388215960.db2.gz PADGRNAUSWYYDK-SKDRFNHKSA-N 2 0 235.331 1.772 20 0 BDADRP CC(C)[N@@H+]1CCCN(C(=O)CCCC[NH3+])CC1 ZINC000518192539 256561682 /nfs/dbraw/zinc/56/16/82/256561682.db2.gz OFCYHSIQCYBDQR-UHFFFAOYSA-N 2 0 241.379 1.058 20 0 BDADRP C[C@@H](CNCc1c[nH+]ccc1N(C)C)[NH+](C)C ZINC000449558717 388231708 /nfs/dbraw/zinc/23/17/08/388231708.db2.gz ZMZRLTMTYRZMTB-NSHDSACASA-N 2 0 236.363 1.187 20 0 BDADRP C[C@@]1(C[NH3+])CC[N@H+](C[C@H]2CCSC2)C1 ZINC000261530043 135156289 /nfs/dbraw/zinc/15/62/89/135156289.db2.gz XKHRNJLSPWVVKG-MNOVXSKESA-N 2 0 214.378 1.410 20 0 BDADRP C[C@@H]([N@H+](C)CCC[NH+]1CCCCC1)C(C)(C)O ZINC000451366034 388266287 /nfs/dbraw/zinc/26/62/87/388266287.db2.gz GJXWZOLVOYPKQU-CYBMUJFWSA-N 2 0 242.407 1.954 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](O)C2CCC2)c2ccccc21 ZINC000315997616 388405047 /nfs/dbraw/zinc/40/50/47/388405047.db2.gz QDSIDPODUXGHTN-QLFBSQMISA-N 2 0 246.354 1.882 20 0 BDADRP COC[C@@H](C)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000163541499 388364071 /nfs/dbraw/zinc/36/40/71/388364071.db2.gz XBBCLTDJDKWVKL-NWDGAFQWSA-N 2 0 214.353 1.330 20 0 BDADRP CC[NH2+]CCCNC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000519118939 256643483 /nfs/dbraw/zinc/64/34/83/256643483.db2.gz RCLMHLPARHSOGC-NWDGAFQWSA-N 2 0 241.379 1.010 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CC1(C2CC2)CC1 ZINC000236162141 388378064 /nfs/dbraw/zinc/37/80/64/388378064.db2.gz PGPCVGYIHMNPRY-ZYHUDNBSSA-N 2 0 208.349 1.894 20 0 BDADRP CCCC[N@H+](C)C[C@@H](C)N[C@@H]1C[NH+](C)C[C@H]1C ZINC000516605644 388385899 /nfs/dbraw/zinc/38/58/99/388385899.db2.gz OCQQGRMSXLJXLU-MGPQQGTHSA-N 2 0 241.423 1.647 20 0 BDADRP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCC1 ZINC000315825890 388402818 /nfs/dbraw/zinc/40/28/18/388402818.db2.gz ZKZYZLBHTXXBIZ-MGPQQGTHSA-N 2 0 238.375 1.364 20 0 BDADRP C[C@@H]1C[C@H](N(C)CC2(F)CC2)CC[N@@H+]1C ZINC000525978354 388442044 /nfs/dbraw/zinc/44/20/44/388442044.db2.gz PRLQZNWFEQGXPQ-GHMZBOCLSA-N 2 0 214.328 1.903 20 0 BDADRP CCCN1CCC[C@H]1C[NH2+][C@H]1CCO[C@H]1C ZINC000393796631 388443080 /nfs/dbraw/zinc/44/30/80/388443080.db2.gz PHZNSNASYPYCJU-AVGNSLFASA-N 2 0 226.364 1.628 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000394078295 388450433 /nfs/dbraw/zinc/45/04/33/388450433.db2.gz WVNPFRLJWLKJKS-NILFDRSVSA-N 2 0 248.370 1.985 20 0 BDADRP C[NH+](C)C1CCN(C[C@@H]2CCCCO2)CC1 ZINC000193806519 388450811 /nfs/dbraw/zinc/45/08/11/388450811.db2.gz CCTLLLDXAMDXLJ-ZDUSSCGKSA-N 2 0 226.364 1.582 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](CCc2cccnc2)C[C@H]1C[NH3+] ZINC000397264854 388455533 /nfs/dbraw/zinc/45/55/33/388455533.db2.gz ISELQNXNDRMBPI-VNHYZAJKSA-N 2 0 247.386 1.929 20 0 BDADRP COCCC[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397350024 388460978 /nfs/dbraw/zinc/46/09/78/388460978.db2.gz ZQSUFYQGTVFYBI-TUAOUCFPSA-N 2 0 214.353 1.328 20 0 BDADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000336718138 388467491 /nfs/dbraw/zinc/46/74/91/388467491.db2.gz QWEXBSGGMWSXFM-OCCSQVGLSA-N 2 0 240.391 1.875 20 0 BDADRP CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000336715509 388467542 /nfs/dbraw/zinc/46/75/42/388467542.db2.gz WUDOUPMWOBYVOT-GARJFASQSA-N 2 0 234.409 1.206 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](CC2CCOCC2)C[C@@H]1C[NH3+] ZINC000397486137 388474064 /nfs/dbraw/zinc/47/40/64/388474064.db2.gz UZXYSUQWDZDFKS-DYEKYZERSA-N 2 0 240.391 1.718 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000134534969 388477395 /nfs/dbraw/zinc/47/73/95/388477395.db2.gz LGCQEHODKJERLN-WHOHXGKFSA-N 2 0 212.337 1.271 20 0 BDADRP NC[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000573075975 388417936 /nfs/dbraw/zinc/41/79/36/388417936.db2.gz SYJMLXRLEKPOTF-JSGCOSHPSA-N 2 0 239.407 1.483 20 0 BDADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)[C@H]1CCOC1 ZINC000166326095 388424933 /nfs/dbraw/zinc/42/49/33/388424933.db2.gz MJLICVXMGGPTHA-FZMZJTMJSA-N 2 0 234.343 1.660 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@H](CO)CC(C)(C)C ZINC000393458358 388430685 /nfs/dbraw/zinc/43/06/85/388430685.db2.gz IODJMWPZEUEINI-QWRGUYRKSA-N 2 0 216.369 1.501 20 0 BDADRP COC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CC1 ZINC000322304627 388431089 /nfs/dbraw/zinc/43/10/89/388431089.db2.gz AFNADMDTOBMMOV-GSPSYOTPSA-N 2 0 238.375 1.626 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)Nc1ccncc1C ZINC000261533078 388547857 /nfs/dbraw/zinc/54/78/57/388547857.db2.gz IIANXIBZOKKVLA-GFCCVEGCSA-N 2 0 221.304 1.846 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)C1CC1 ZINC000340489088 388490689 /nfs/dbraw/zinc/49/06/89/388490689.db2.gz QSWZKFMVCFSLNF-CDGCEXEKSA-N 2 0 240.391 1.730 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)CCO)[C@H](C)C1 ZINC000178163227 388496109 /nfs/dbraw/zinc/49/61/09/388496109.db2.gz PHDOKFSHFSXMJX-CHWSQXEVSA-N 2 0 242.407 1.715 20 0 BDADRP c1cnn(CCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000135463297 388497962 /nfs/dbraw/zinc/49/79/62/388497962.db2.gz QGOBGIVUSXNGAD-UONOGXRCSA-N 2 0 248.374 1.490 20 0 BDADRP CCC[C@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])OC ZINC000356335492 388548990 /nfs/dbraw/zinc/54/89/90/388548990.db2.gz NGVXLPHPZQUMFS-TUAOUCFPSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2C[NH3+])CS1 ZINC000397773850 388498217 /nfs/dbraw/zinc/49/82/17/388498217.db2.gz AGLUDGGQXYNYPL-RHYQMDGZSA-N 2 0 228.405 1.988 20 0 BDADRP C[C@H](CCO)CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000397800447 388500158 /nfs/dbraw/zinc/50/01/58/388500158.db2.gz WCJJSXUQVIGSTF-XDQVBPFNSA-N 2 0 242.407 1.713 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)CN1C1CC1 ZINC000344308493 388505887 /nfs/dbraw/zinc/50/58/87/388505887.db2.gz YTPAZAWHDNYXON-GXTWGEPZSA-N 2 0 249.402 1.463 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)CCO1 ZINC000356670338 388549477 /nfs/dbraw/zinc/54/94/77/388549477.db2.gz FVJKSZYKLOVAGQ-SYQHCUMBSA-N 2 0 240.391 1.731 20 0 BDADRP C[N@@H+]1CCC[C@H](CN[C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000516861236 388520602 /nfs/dbraw/zinc/52/06/02/388520602.db2.gz CPCDAJXHDSDBES-MCIONIFRSA-N 3 0 239.407 1.578 20 0 BDADRP C[N@@H+]1CCC[C@H](CN[C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000516861238 388520764 /nfs/dbraw/zinc/52/07/64/388520764.db2.gz CPCDAJXHDSDBES-RDBSUJKOSA-N 3 0 239.407 1.578 20 0 BDADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccccn1 ZINC000346981994 388522592 /nfs/dbraw/zinc/52/25/92/388522592.db2.gz MBOFANROWGPQQE-LBPRGKRZSA-N 2 0 249.358 1.189 20 0 BDADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]CCC(N)=O ZINC000516921893 388524203 /nfs/dbraw/zinc/52/42/03/388524203.db2.gz UWUJILIJVSOTAE-LBPRGKRZSA-N 2 0 241.379 1.106 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000352558860 388536883 /nfs/dbraw/zinc/53/68/83/388536883.db2.gz ZWVAIWNRMSQHGB-HZSPNIEDSA-N 2 0 240.391 1.754 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCOC1(C)C ZINC000328193317 388586080 /nfs/dbraw/zinc/58/60/80/388586080.db2.gz BCXAJWTXWJLVRC-GFCCVEGCSA-N 2 0 228.380 1.875 20 0 BDADRP C[NH+](C)CCC[NH2+][C@@H]1CCOC1(C)C ZINC000328208114 388586440 /nfs/dbraw/zinc/58/64/40/388586440.db2.gz IVPFELKQNQFXBX-SNVBAGLBSA-N 2 0 200.326 1.095 20 0 BDADRP CC[NH+](CC)CCCN[C@H]1CC[N@H+](C)C[C@H]1C ZINC000359287280 388556144 /nfs/dbraw/zinc/55/61/44/388556144.db2.gz OAPNRKWKLKWDAX-KGLIPLIRSA-N 2 0 241.423 1.648 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](C)OC)C1 ZINC000248436949 388680121 /nfs/dbraw/zinc/68/01/21/388680121.db2.gz SHSOXAKXSQBCLE-NWDGAFQWSA-N 2 0 214.353 1.295 20 0 BDADRP C[C@@H]1CCC[C@@H]1[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000125898530 388681495 /nfs/dbraw/zinc/68/14/95/388681495.db2.gz HKDHITZTLOYGRT-WOPDTQHZSA-N 2 0 214.353 1.077 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000530178813 388622164 /nfs/dbraw/zinc/62/21/64/388622164.db2.gz OBCCBQVVVNSLAT-BNOWGMLFSA-N 2 0 249.402 1.343 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CCCOC1)C1C[NH2+]C1 ZINC000530208646 388626100 /nfs/dbraw/zinc/62/61/00/388626100.db2.gz GKCNQYGIVZEYAG-QWRGUYRKSA-N 2 0 212.337 1.001 20 0 BDADRP CCC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[NH3+])OCC ZINC000530206718 388626528 /nfs/dbraw/zinc/62/65/28/388626528.db2.gz BJJQZHYRYXOYSC-GRYCIOLGSA-N 2 0 214.353 1.661 20 0 BDADRP COCCC1CC[NH+]([C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000530212331 388626830 /nfs/dbraw/zinc/62/68/30/388626830.db2.gz QIRWIUCNFLERAK-NEPJUHHUSA-N 2 0 228.380 1.861 20 0 BDADRP C[N@H+](CCN1CC[NH2+]CC1)CC1CC(C)(C)C1 ZINC000530210862 388627316 /nfs/dbraw/zinc/62/73/16/388627316.db2.gz MGWQSBLKBLJYGD-UHFFFAOYSA-N 2 0 239.407 1.260 20 0 BDADRP CN(CCC[NH3+])Cc1cccnc1C(F)(F)F ZINC000530213736 388628779 /nfs/dbraw/zinc/62/87/79/388628779.db2.gz VWBBMHVFJAMBCB-UHFFFAOYSA-N 2 0 247.264 1.881 20 0 BDADRP C[C@H](N[C@@H]1CC[NH2+]C12CCC2)[C@H]1CCC[NH2+]C1 ZINC000530214902 388629375 /nfs/dbraw/zinc/62/93/75/388629375.db2.gz DQFZJGFMYVLSEH-RWMBFGLXSA-N 2 0 237.391 1.249 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)C1CCOCC1 ZINC000530221199 388632956 /nfs/dbraw/zinc/63/29/56/388632956.db2.gz OTNAFIFMJNTGMF-YPMHNXCESA-N 2 0 238.375 1.676 20 0 BDADRP Cc1n[nH]cc1[C@@H](C)N[C@@H]1CC[NH2+]C12CCC2 ZINC000530221414 388632971 /nfs/dbraw/zinc/63/29/71/388632971.db2.gz PZXOKMYIRMASIO-BXKDBHETSA-N 2 0 234.347 1.653 20 0 BDADRP CC(C)[C@@H]1CNCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000530229336 388637005 /nfs/dbraw/zinc/63/70/05/388637005.db2.gz NIYGSRWBCLUWIO-KBPBESRZSA-N 2 0 239.407 1.306 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1COc2ccccc2C1 ZINC000328493557 388644630 /nfs/dbraw/zinc/64/46/30/388644630.db2.gz TUGKRJLTAGSMEU-WCQYABFASA-N 2 0 234.343 1.707 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])[C@H]1CCCO1 ZINC000251675602 388647975 /nfs/dbraw/zinc/64/79/75/388647975.db2.gz VJVWCDLRHLOOMC-WUHRBBMRSA-N 2 0 226.364 1.661 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000223290759 388649882 /nfs/dbraw/zinc/64/98/82/388649882.db2.gz CAHSEOONDGOUPS-WZRBSPASSA-N 2 0 226.364 1.362 20 0 BDADRP C[C@@H]1C[C@@H](NC[C@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000246806303 388652232 /nfs/dbraw/zinc/65/22/32/388652232.db2.gz AJSCCWPJWGCKSV-FRRDWIJNSA-N 2 0 225.380 1.153 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H]2CCOC2)C1 ZINC000246831582 388652542 /nfs/dbraw/zinc/65/25/42/388652542.db2.gz BREAZFHGKSCXPY-XQQFMLRXSA-N 2 0 226.364 1.343 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)[C@H]1CCOC1)C[NH+]1CCCC1 ZINC000246946638 388655238 /nfs/dbraw/zinc/65/52/38/388655238.db2.gz HVGJPHPBMFMEEN-RDBSUJKOSA-N 2 0 240.391 1.733 20 0 BDADRP COC[C@H](C)C[NH2+]CCC1CC[NH+](C)CC1 ZINC000123924615 388658743 /nfs/dbraw/zinc/65/87/43/388658743.db2.gz IYIHXVBJYFOKST-GFCCVEGCSA-N 2 0 228.380 1.590 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)COC)C1 ZINC000247143995 388659590 /nfs/dbraw/zinc/65/95/90/388659590.db2.gz SNOQTMKNSNAEAM-VXGBXAGGSA-N 2 0 214.353 1.343 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCOC2)C1 ZINC000250561114 388737694 /nfs/dbraw/zinc/73/76/94/388737694.db2.gz CLYMYOINCGVENM-RYUDHWBXSA-N 2 0 212.337 1.097 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H]2CCCOC2)C1 ZINC000250661914 388738749 /nfs/dbraw/zinc/73/87/49/388738749.db2.gz YXXSRGBUYPEMEL-CHWSQXEVSA-N 2 0 226.364 1.344 20 0 BDADRP CC[C@H]([NH2+]CCN1CCCCC1)[C@@H]1CCOC1 ZINC000128268580 388743129 /nfs/dbraw/zinc/74/31/29/388743129.db2.gz QWOTYKGFETVFMJ-KGLIPLIRSA-N 2 0 240.391 1.877 20 0 BDADRP COC[C@H](C)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000552357682 388696856 /nfs/dbraw/zinc/69/68/56/388696856.db2.gz MKVLRXMCBJDUAE-ZIAGYGMSSA-N 2 0 240.391 1.687 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCCOC(F)F)CN1C1CC1 ZINC000193661020 388712334 /nfs/dbraw/zinc/71/23/34/388712334.db2.gz AKOBZHTVCMVPFZ-UWVGGRQHSA-N 2 0 248.317 1.831 20 0 BDADRP C[NH+](C)C[C@H]1CC[N@H+](CC[C@H]2CCCO2)C1 ZINC000249289078 388715367 /nfs/dbraw/zinc/71/53/67/388715367.db2.gz MCBKVEJMAGFNAQ-CHWSQXEVSA-N 2 0 226.364 1.439 20 0 BDADRP CC(C)[C@H](C)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000127425467 388722935 /nfs/dbraw/zinc/72/29/35/388722935.db2.gz OETSTCDEHBEKQK-STQMWFEESA-N 2 0 227.396 1.256 20 0 BDADRP Cc1cnccc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000228698036 388817750 /nfs/dbraw/zinc/81/77/50/388817750.db2.gz JJFPLVYKCOTALF-AAEUAGOBSA-N 2 0 219.332 1.559 20 0 BDADRP C[C@H]1C[C@@H](NCC[NH+]2CCCC2)CC[N@@H+]1C ZINC000129732244 388868261 /nfs/dbraw/zinc/86/82/61/388868261.db2.gz NWNMNMZTWHLIBD-STQMWFEESA-N 2 0 225.380 1.155 20 0 BDADRP CC(C)C[C@H]([NH3+])c1noc([C@@H]2CCC[NH2+]C2)n1 ZINC000564959552 388903174 /nfs/dbraw/zinc/90/31/74/388903174.db2.gz MHIYXNSGWKCMPO-ZJUUUORDSA-N 2 0 238.335 1.583 20 0 BDADRP CC[C@@H]1CCC[C@H]1[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000564827802 388891855 /nfs/dbraw/zinc/89/18/55/388891855.db2.gz INSVDASERKJOPR-MCIONIFRSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H](O)[C@@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000564859568 388895470 /nfs/dbraw/zinc/89/54/70/388895470.db2.gz GUGBHICKTNINNW-GHMZBOCLSA-N 2 0 226.364 1.362 20 0 BDADRP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@]1(C)CO ZINC000565645188 388959707 /nfs/dbraw/zinc/95/97/07/388959707.db2.gz FGGYGFZPSDFYTD-RYUDHWBXSA-N 2 0 214.353 1.207 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCC[C@H](F)C1 ZINC000565775679 388968858 /nfs/dbraw/zinc/96/88/58/388968858.db2.gz NLOPNELJRSGHIW-WJTVCTBASA-N 2 0 244.354 1.609 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H](C)CCc1ccco1 ZINC000565945505 388981028 /nfs/dbraw/zinc/98/10/28/388981028.db2.gz NMPISQNLJQTVQW-QWRGUYRKSA-N 2 0 210.321 1.928 20 0 BDADRP CC(C)[NH2+]CCCN[C@H]1CCC[C@H]1C[NH3+] ZINC000566088418 388986594 /nfs/dbraw/zinc/98/65/94/388986594.db2.gz NALTZXQVVBVBNA-RYUDHWBXSA-N 2 0 213.369 1.092 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCS1 ZINC000575497919 388989590 /nfs/dbraw/zinc/98/95/90/388989590.db2.gz OOMAUUDILLTUPM-BBBLOLIVSA-N 2 0 200.351 1.161 20 0 BDADRP CC[NH2+]CCCN[C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000565827611 388971180 /nfs/dbraw/zinc/97/11/80/388971180.db2.gz MAQQHXBJARFZOF-RYUDHWBXSA-N 2 0 213.369 1.106 20 0 BDADRP CSC[C@@H](O)C[NH2+][C@@H](C)C(C)(C)C[NH+](C)C ZINC000565829143 388971858 /nfs/dbraw/zinc/97/18/58/388971858.db2.gz WPECAQSBQOUNNA-QWRGUYRKSA-N 2 0 248.436 1.276 20 0 BDADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccncc1 ZINC000271085825 389017274 /nfs/dbraw/zinc/01/72/74/389017274.db2.gz TVFYYSBFGDFKQF-LBPRGKRZSA-N 2 0 249.358 1.189 20 0 BDADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cnccn1 ZINC000271817117 389025677 /nfs/dbraw/zinc/02/56/77/389025677.db2.gz BPYIXRICWSLPAJ-LLVKDONJSA-N 2 0 232.331 1.389 20 0 BDADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cccnc1 ZINC000271890244 389026519 /nfs/dbraw/zinc/02/65/19/389026519.db2.gz RSUVGQHFFMNAGA-GFCCVEGCSA-N 2 0 231.343 1.994 20 0 BDADRP C[C@@H]([NH2+]CCO)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272491237 389033739 /nfs/dbraw/zinc/03/37/39/389033739.db2.gz NBQBNOSYYBXPDO-HIFRSBDPSA-N 2 0 248.370 1.479 20 0 BDADRP C[C@@H](NCC1([NH+](C)C)CCCC1)[C@@H]1CCC[NH2+]1 ZINC000400739579 533361408 /nfs/dbraw/zinc/36/14/08/533361408.db2.gz SLPXLJPEUMGUKV-OLZOCXBDSA-N 2 0 239.407 1.591 20 0 BDADRP C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)[C@H]1CCCO1 ZINC000261596879 533365092 /nfs/dbraw/zinc/36/50/92/533365092.db2.gz ZAWUGJVUASMIOZ-CHWSQXEVSA-N 2 0 224.348 1.241 20 0 BDADRP C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCCO1 ZINC000261580708 533365593 /nfs/dbraw/zinc/36/55/93/533365593.db2.gz NCOPPTUZYVTCDG-UPJWGTAASA-N 2 0 224.348 1.097 20 0 BDADRP C[C@@H]([NH2+]CCCC(C)(C)CO)[C@H]1CCC[NH2+]1 ZINC000400345298 533376639 /nfs/dbraw/zinc/37/66/39/533376639.db2.gz GYALOVIKIWUSAX-VXGBXAGGSA-N 2 0 228.380 1.515 20 0 BDADRP C([C@H]1CCSC1)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261537686 533376604 /nfs/dbraw/zinc/37/66/04/533376604.db2.gz WDOVRKWXQRPASI-GRYCIOLGSA-N 2 0 226.389 1.281 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CCC[C@H]1CCOC1 ZINC000401945492 533537911 /nfs/dbraw/zinc/53/79/11/533537911.db2.gz VURWICOZCKESQH-STQMWFEESA-N 2 0 228.380 1.910 20 0 BDADRP C[C@@H](CF)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297491396 132221509 /nfs/dbraw/zinc/22/15/09/132221509.db2.gz TZBOATLMRCMOKK-NSHDSACASA-N 2 0 237.322 1.998 20 0 BDADRP [NH3+]CCCC(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000361762171 132280436 /nfs/dbraw/zinc/28/04/36/132280436.db2.gz HRYZNSKIDKKCSY-UHFFFAOYSA-N 2 0 247.342 1.163 20 0 BDADRP Cc1cc(N2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc[nH+]1 ZINC000372336357 132286048 /nfs/dbraw/zinc/28/60/48/132286048.db2.gz GBCIYOREFSNJPQ-GXTWGEPZSA-N 2 0 231.343 1.920 20 0 BDADRP CC[C@H](C)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000053486169 133508234 /nfs/dbraw/zinc/50/82/34/133508234.db2.gz VMPLHXDXQGLLJJ-RYUDHWBXSA-N 2 0 213.369 1.010 20 0 BDADRP C[C@@H](Cn1cccn1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000347481803 133838768 /nfs/dbraw/zinc/83/87/68/133838768.db2.gz ACXGFGNFLYYICX-LBPRGKRZSA-N 2 0 234.347 1.123 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000167572746 134070579 /nfs/dbraw/zinc/07/05/79/134070579.db2.gz NIKRNRJHNCBCIJ-XQQFMLRXSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(C)(C)[NH3+])cc1 ZINC000336092122 134078852 /nfs/dbraw/zinc/07/88/52/134078852.db2.gz PHTFEODQNYVOEQ-QMMMGPOBSA-N 2 0 221.304 1.382 20 0 BDADRP C[N@H+](CCC[NH+]1CCCCC1)[C@H]1CCCOC1 ZINC000352186142 134099426 /nfs/dbraw/zinc/09/94/26/134099426.db2.gz JHTJCFOBFUVANV-AWEZNQCLSA-N 2 0 240.391 1.973 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+][C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000300709351 134229208 /nfs/dbraw/zinc/22/92/08/134229208.db2.gz DBAZOTKVHURXEQ-IACUBPJLSA-N 2 0 242.407 1.904 20 0 BDADRP c1ccc(CC[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000168699427 134242698 /nfs/dbraw/zinc/24/26/98/134242698.db2.gz LGSDUXIOGIZAPE-AWEZNQCLSA-N 2 0 218.344 1.961 20 0 BDADRP CC[C@H](CCO)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000217706102 134250761 /nfs/dbraw/zinc/25/07/61/134250761.db2.gz UFAFMRRJUMKLMV-LERXQTSPSA-N 2 0 234.343 1.882 20 0 BDADRP Cc1c[nH+]ccc1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085283593 134274945 /nfs/dbraw/zinc/27/49/45/134274945.db2.gz MQMGGSAVOYRAEG-PHIMTYICSA-N 2 0 203.289 1.046 20 0 BDADRP C[NH+](C)CCOCC[NH2+][C@H]1CCCC1(C)C ZINC000219310089 134281225 /nfs/dbraw/zinc/28/12/25/134281225.db2.gz HKINSNSHZYJJJG-LBPRGKRZSA-N 2 0 228.380 1.733 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C)(O)CC1 ZINC000179255261 134319165 /nfs/dbraw/zinc/31/91/65/134319165.db2.gz BLTASFVXFXYGRK-LBPRGKRZSA-N 2 0 226.364 1.318 20 0 BDADRP C[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cn[nH]c1 ZINC000222460240 134331888 /nfs/dbraw/zinc/33/18/88/134331888.db2.gz JSPFEGMTNGCCNZ-WCFLWFBJSA-N 2 0 234.347 1.687 20 0 BDADRP Cc1cncc(CN[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000222601034 134333533 /nfs/dbraw/zinc/33/35/33/134333533.db2.gz BPAMTDSLHIDZIM-JSGCOSHPSA-N 2 0 233.359 1.820 20 0 BDADRP [NH3+]C1CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC000223645491 134341010 /nfs/dbraw/zinc/34/10/10/134341010.db2.gz XJFLGQCGXYEVIU-LBPRGKRZSA-N 2 0 212.337 1.369 20 0 BDADRP CC[N@H+](CCNC1CC[NH+](C)CC1)C1CC1 ZINC000225130306 134351105 /nfs/dbraw/zinc/35/11/05/134351105.db2.gz HPFMCYKIFPIVRI-UHFFFAOYSA-N 2 0 225.380 1.155 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+]CC2(C)COC2)CC1 ZINC000226350715 134361196 /nfs/dbraw/zinc/36/11/96/134361196.db2.gz GDWCGKCXLYEXLP-UHFFFAOYSA-N 2 0 226.364 1.344 20 0 BDADRP CN(C)c1ccncc1C[NH2+]C[C@@]1(C)CCCO1 ZINC000185211101 134375368 /nfs/dbraw/zinc/37/53/68/134375368.db2.gz NGLGEOYUBVVAAQ-CQSZACIVSA-N 2 0 249.358 1.806 20 0 BDADRP C[C@H](CCO)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000227368944 134378638 /nfs/dbraw/zinc/37/86/38/134378638.db2.gz HSPHTYATIMKAGK-YVECIDJPSA-N 2 0 228.380 1.323 20 0 BDADRP Cc1ccccc1OCC[N@H+](C)CCC[NH3+] ZINC000227748449 134391982 /nfs/dbraw/zinc/39/19/82/134391982.db2.gz ZXMWNOHUDFRIHN-UHFFFAOYSA-N 2 0 222.332 1.654 20 0 BDADRP CCC[NH+]1CCC(N(C)CCC[NH3+])CC1 ZINC000227744835 134392171 /nfs/dbraw/zinc/39/21/71/134392171.db2.gz PUXCCFYGVACNBD-UHFFFAOYSA-N 2 0 213.369 1.141 20 0 BDADRP CC(C)C1CC[NH+](CCOCC[NH3+])CC1 ZINC000232597756 134554239 /nfs/dbraw/zinc/55/42/39/134554239.db2.gz AOUSVMDXTCHDEV-UHFFFAOYSA-N 2 0 214.353 1.330 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1NC1CC[NH+](C2CC2)CC1 ZINC000335644680 134851963 /nfs/dbraw/zinc/85/19/63/134851963.db2.gz XHNNNMJTVOQMFI-FZMZJTMJSA-N 2 0 237.391 1.343 20 0 BDADRP CO[C@@H](C)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000248419143 135008517 /nfs/dbraw/zinc/00/85/17/135008517.db2.gz KWIKCIIRNFSLRB-UONOGXRCSA-N 2 0 240.391 1.972 20 0 BDADRP CO[C@H](C)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000248439412 135009692 /nfs/dbraw/zinc/00/96/92/135009692.db2.gz UCXHGHSCVIZLOD-KGLIPLIRSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@@H]1CC[C@@H](C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)O1 ZINC000248863058 135023296 /nfs/dbraw/zinc/02/32/96/135023296.db2.gz BMKDGMXEKBTNEG-AGIUHOORSA-N 2 0 226.364 1.437 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000249132930 135034236 /nfs/dbraw/zinc/03/42/36/135034236.db2.gz MEBWZHRODJBBNR-NAWOPXAZSA-N 2 0 240.391 1.464 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CCOC)C1 ZINC000249806383 135045415 /nfs/dbraw/zinc/04/54/15/135045415.db2.gz FVRNVEJMAWKLLJ-NEPJUHHUSA-N 2 0 214.353 1.343 20 0 BDADRP CCCCOCC[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000249848603 135045858 /nfs/dbraw/zinc/04/58/58/135045858.db2.gz IDMIUYIQHQEQPD-STQMWFEESA-N 2 0 228.380 1.862 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCC2CC[NH+](C)CC2)CCO1 ZINC000163690327 135046871 /nfs/dbraw/zinc/04/68/71/135046871.db2.gz SWBQYSQITGFGQY-OCCSQVGLSA-N 2 0 240.391 1.875 20 0 BDADRP CC[N@H+](C)CCN[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000250087509 135049420 /nfs/dbraw/zinc/04/94/20/135049420.db2.gz VYFCIXVTBBAKCF-OLZOCXBDSA-N 2 0 225.380 1.155 20 0 BDADRP C[C@H](CO)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000251068970 135061949 /nfs/dbraw/zinc/06/19/49/135061949.db2.gz FAHIOKOCLKYBRN-UMSGYPCISA-N 2 0 226.364 1.125 20 0 BDADRP C[C@H](C[NH+](C)C)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251135234 135065571 /nfs/dbraw/zinc/06/55/71/135065571.db2.gz VFEZPABTLHQQFR-UPJWGTAASA-N 2 0 225.380 1.153 20 0 BDADRP C[N@H+](CCOCC[NH3+])Cc1ccc(Cl)cc1 ZINC000086435467 135084570 /nfs/dbraw/zinc/08/45/70/135084570.db2.gz RLTUQXKFCGPFOA-UHFFFAOYSA-N 2 0 242.750 1.747 20 0 BDADRP COCC[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000086500487 135088319 /nfs/dbraw/zinc/08/83/19/135088319.db2.gz IHYPBBQQEGLNNX-RYUDHWBXSA-N 2 0 214.353 1.533 20 0 BDADRP C[C@H](CCCO)[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000252625807 135093228 /nfs/dbraw/zinc/09/32/28/135093228.db2.gz RJLDQXLXWMZGSL-FVCCEPFGSA-N 2 0 228.380 1.466 20 0 BDADRP [NH3+]CCCOC1CC[NH+](CC2CC2)CC1 ZINC000086723510 135095341 /nfs/dbraw/zinc/09/53/41/135095341.db2.gz BDBASSMELNAIMC-UHFFFAOYSA-N 2 0 212.337 1.226 20 0 BDADRP CCCCOCC[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252697884 135098658 /nfs/dbraw/zinc/09/86/58/135098658.db2.gz JYSOKKVUVOIJRY-VXGBXAGGSA-N 2 0 214.353 1.472 20 0 BDADRP CC[N@@H+]1CC[C@H](NC[C@H](C)[NH+](C)C)[C@H](C)C1 ZINC000252713130 135100483 /nfs/dbraw/zinc/10/04/83/135100483.db2.gz OKJUPXFJWPLMJC-AGIUHOORSA-N 2 0 227.396 1.256 20 0 BDADRP CCC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252714489 135101907 /nfs/dbraw/zinc/10/19/07/135101907.db2.gz SCGKVLOVEXIXBF-GRYCIOLGSA-N 2 0 214.353 1.077 20 0 BDADRP CCCCOCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252871724 135113903 /nfs/dbraw/zinc/11/39/03/135113903.db2.gz SZDAQJWGADSQOH-MELADBBJSA-N 2 0 240.391 1.862 20 0 BDADRP CN(CC(C)(C)C[NH3+])C(=O)C1([NH3+])CCCCC1 ZINC000262469418 135118960 /nfs/dbraw/zinc/11/89/60/135118960.db2.gz ZHENIKIBBALOQS-UHFFFAOYSA-N 2 0 241.379 1.091 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CSCCS1 ZINC000253036919 135120006 /nfs/dbraw/zinc/12/00/06/135120006.db2.gz XTBGDNCUMRMMET-DCAQKATOSA-N 2 0 246.445 1.552 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H](C)CCCO)CC1 ZINC000087358466 135124508 /nfs/dbraw/zinc/12/45/08/135124508.db2.gz UUYSPKMMRUMUCB-LBPRGKRZSA-N 2 0 228.380 1.611 20 0 BDADRP CCc1ccc(C[NH2+]C[C@@H](C)C[NH3+])cc1 ZINC000258821880 135134671 /nfs/dbraw/zinc/13/46/71/135134671.db2.gz UKJLFUJQGDSKCX-NSHDSACASA-N 2 0 206.333 1.933 20 0 BDADRP Cc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cn1 ZINC000257647284 135137377 /nfs/dbraw/zinc/13/73/77/135137377.db2.gz CLEWYWZQYVJJPN-UHFFFAOYSA-N 2 0 245.370 1.966 20 0 BDADRP C(C1CCCC1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257678106 135139012 /nfs/dbraw/zinc/13/90/12/135139012.db2.gz KGGNEZTWZNUZAY-CYBMUJFWSA-N 2 0 208.349 1.862 20 0 BDADRP C(C1CCOCC1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000257680373 135139367 /nfs/dbraw/zinc/13/93/67/135139367.db2.gz KXASBPRYRYIDEU-UHFFFAOYSA-N 2 0 238.375 1.489 20 0 BDADRP C([C@H]1CCCOC1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257741630 135141026 /nfs/dbraw/zinc/14/10/26/135141026.db2.gz YZNVDTSEKMVKHY-OLZOCXBDSA-N 2 0 224.348 1.098 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](C[C@H]2CCSC2)C1 ZINC000261527388 135150769 /nfs/dbraw/zinc/15/07/69/135150769.db2.gz ALGJTEJIFNXTPV-WDEREUQCSA-N 2 0 214.378 1.410 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccs1 ZINC000261527836 135153009 /nfs/dbraw/zinc/15/30/09/135153009.db2.gz HRLUWJNPEXKJJB-KOLCDFICSA-N 2 0 210.346 1.836 20 0 BDADRP C1CC([NH2+][C@H]2CC3CCC2CC3)CC[NH2+]1 ZINC000261528494 135153713 /nfs/dbraw/zinc/15/37/13/135153713.db2.gz PKZRKXXSJWYSMY-XIVSLSHWSA-N 2 0 208.349 1.907 20 0 BDADRP C[C@H]1CSC[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000261530381 135157543 /nfs/dbraw/zinc/15/75/43/135157543.db2.gz ZFFXTZKSYNSNCC-IDWGSYCQSA-N 2 0 214.378 1.597 20 0 BDADRP CN(Cc1cocn1)[C@H]1CCC[NH2+]CC1 ZINC000261532288 135162503 /nfs/dbraw/zinc/16/25/03/135162503.db2.gz ABWOTVRWGSAABD-NSHDSACASA-N 2 0 209.293 1.249 20 0 BDADRP C[C@@H]([NH3+])[C@H](C)[NH2+]C1Cc2ccccc2C1 ZINC000261532659 135163263 /nfs/dbraw/zinc/16/32/63/135163263.db2.gz KCIZPKRVQNPWSE-ZJUUUORDSA-N 2 0 204.317 1.479 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@@H]3CCSC3)C[C@H]21 ZINC000261533916 135165534 /nfs/dbraw/zinc/16/55/34/135165534.db2.gz LFABFNHBEBXYNW-UMSGYPCISA-N 2 0 240.416 1.799 20 0 BDADRP CO[C@H]1C[C@@H]([NH2+]C2CCC([NH3+])CC2)C1(C)C ZINC000261533684 135166219 /nfs/dbraw/zinc/16/62/19/135166219.db2.gz JYDZDODTXOJWFB-HCWSGVFWSA-N 2 0 226.364 1.659 20 0 BDADRP CO[C@@H](C)C[N@H+](C[C@H]1CCC[NH2+]C1)C(C)C ZINC000261534267 135167187 /nfs/dbraw/zinc/16/71/87/135167187.db2.gz PCZDBOYFENGHLZ-STQMWFEESA-N 2 0 228.380 1.731 20 0 BDADRP Cc1ccoc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000261536036 135171632 /nfs/dbraw/zinc/17/16/32/135171632.db2.gz QEJALCLUPQDGMA-GHMZBOCLSA-N 2 0 208.305 1.805 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000261537408 135174011 /nfs/dbraw/zinc/17/40/11/135174011.db2.gz VMNIITUBYNURSD-NWDGAFQWSA-N 2 0 212.337 1.084 20 0 BDADRP C(C1CCCC1)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261538076 135175438 /nfs/dbraw/zinc/17/54/38/135175438.db2.gz XJKWQILQZPZPGK-CHWSQXEVSA-N 2 0 208.349 1.860 20 0 BDADRP CC(C)OCC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261538867 135177466 /nfs/dbraw/zinc/17/74/66/135177466.db2.gz ZRDKKUBESPCNSL-LBPRGKRZSA-N 2 0 212.337 1.097 20 0 BDADRP CSC[C@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261539268 135177702 /nfs/dbraw/zinc/17/77/02/135177702.db2.gz BZNSXUIEKIOBLO-VXGBXAGGSA-N 2 0 228.405 1.813 20 0 BDADRP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)nc1 ZINC000261544299 135185130 /nfs/dbraw/zinc/18/51/30/135185130.db2.gz DQJQKBUVSNTOIJ-UBHSHLNASA-N 2 0 231.343 1.559 20 0 BDADRP CO[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000261544687 135186067 /nfs/dbraw/zinc/18/60/67/135186067.db2.gz YTTYLMAJYFGYSP-AAVRWANBSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H]1C[C@@H](NCC[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000261548896 135187752 /nfs/dbraw/zinc/18/77/52/135187752.db2.gz OAOPSRSJSOXDDF-GXTWGEPZSA-N 2 0 233.359 1.198 20 0 BDADRP COc1cccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)c1 ZINC000261550310 135189431 /nfs/dbraw/zinc/18/94/31/135189431.db2.gz LFBJQLYJVKDFGW-RISCZKNCSA-N 2 0 234.343 1.783 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCO1 ZINC000084215649 135192024 /nfs/dbraw/zinc/19/20/24/135192024.db2.gz QHZLLDGSUBSZRG-SRVKXCTJSA-N 2 0 212.337 1.273 20 0 BDADRP Cc1cnn(CC[N@@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000261552898 135192321 /nfs/dbraw/zinc/19/23/21/135192321.db2.gz NLKJCPWDJGAKDO-CYBMUJFWSA-N 2 0 236.363 1.395 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccco1 ZINC000084215328 135192378 /nfs/dbraw/zinc/19/23/78/135192378.db2.gz SZGBJBRRADNPLI-CMPLNLGQSA-N 2 0 208.305 1.887 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]1C[NH3+])[C@H]1CCCO1 ZINC000084218353 135192488 /nfs/dbraw/zinc/19/24/88/135192488.db2.gz ORCZWONGARIJRY-IRCOFANPSA-N 2 0 212.337 1.271 20 0 BDADRP CC(C)COCCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000084218184 135192541 /nfs/dbraw/zinc/19/25/41/135192541.db2.gz DSZGUPLDUBHZSE-OLZOCXBDSA-N 2 0 228.380 1.766 20 0 BDADRP C[C@H]1CSCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261553206 135192723 /nfs/dbraw/zinc/19/27/23/135192723.db2.gz SIUKBTOPRKZUDD-NEPJUHHUSA-N 2 0 228.405 1.671 20 0 BDADRP Cn1cc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cn1 ZINC000084216440 135192965 /nfs/dbraw/zinc/19/29/65/135192965.db2.gz QTOYVEQYCMUEAK-RYUDHWBXSA-N 2 0 222.336 1.027 20 0 BDADRP CC[C@H](COC)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000084216990 135193293 /nfs/dbraw/zinc/19/32/93/135193293.db2.gz XFKHZQORYUWMIY-IJLUTSLNSA-N 2 0 214.353 1.519 20 0 BDADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCOc3ccccc3)C[C@@H]12 ZINC000261558206 135198760 /nfs/dbraw/zinc/19/87/60/135198760.db2.gz CZMBIXKLBILUPF-NWANDNLSSA-N 2 0 246.354 1.735 20 0 BDADRP Cc1ncccc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000261559873 135200051 /nfs/dbraw/zinc/20/00/51/135200051.db2.gz UEHGYCVQIJJOCZ-ZDUSSCGKSA-N 2 0 233.359 1.951 20 0 BDADRP CC(C)n1cc(CN2CC[C@@](C)(C[NH3+])C2)cn1 ZINC000261563417 135205350 /nfs/dbraw/zinc/20/53/50/135205350.db2.gz XCBNLMHDXKKJKK-ZDUSSCGKSA-N 2 0 236.363 1.635 20 0 BDADRP C[C@@H](c1cccnc1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261564411 135205910 /nfs/dbraw/zinc/20/59/10/135205910.db2.gz CMVCVCWRLGHVSC-WCQYABFASA-N 2 0 219.332 1.813 20 0 BDADRP Cc1cc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc[nH+]1 ZINC000261567762 135209650 /nfs/dbraw/zinc/20/96/50/135209650.db2.gz FBIBDPZHDGVHNO-NWDGAFQWSA-N 2 0 217.316 1.436 20 0 BDADRP Cc1ncsc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261571314 135212818 /nfs/dbraw/zinc/21/28/18/135212818.db2.gz HKSHJJNZBBGMAH-AXFHLTTASA-N 2 0 237.372 1.621 20 0 BDADRP CCC[C@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000261571780 135214301 /nfs/dbraw/zinc/21/43/01/135214301.db2.gz HVLUVKXGYDRQIT-LBPRGKRZSA-N 2 0 214.353 1.474 20 0 BDADRP CC(C)n1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cn1 ZINC000261575506 135216397 /nfs/dbraw/zinc/21/63/97/135216397.db2.gz NDHBRKUISACHDZ-IHRRRGAJSA-N 2 0 248.374 1.633 20 0 BDADRP Cn1cc([C@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)cn1 ZINC000261584910 135226235 /nfs/dbraw/zinc/22/62/35/135226235.db2.gz SQDZECGIXWECNK-TZMCWYRMSA-N 2 0 248.374 1.557 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000261596820 135235725 /nfs/dbraw/zinc/23/57/25/135235725.db2.gz YXXWHIGHEYKVOE-VOAKCMCISA-N 2 0 226.364 1.255 20 0 BDADRP [NH3+]C[C@H]1CCC[N@H+](CC[C@H]2CCOC2)C1 ZINC000261595780 135236165 /nfs/dbraw/zinc/23/61/65/135236165.db2.gz YLVXPRZFJUJMTH-NWDGAFQWSA-N 2 0 212.337 1.084 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC[C@@H]1CCOC1 ZINC000261598023 135236568 /nfs/dbraw/zinc/23/65/68/135236568.db2.gz ZIQAQOVCWOCWCQ-IJLUTSLNSA-N 2 0 212.337 1.082 20 0 BDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C[C@@H](C)[NH3+] ZINC000261687880 135245796 /nfs/dbraw/zinc/24/57/96/135245796.db2.gz BVQRRPNTOGTXAX-NEPJUHHUSA-N 2 0 241.379 1.104 20 0 BDADRP CCc1ccc([C@@H]2C[NH2+]CCN2C[C@H](C)[NH3+])cc1 ZINC000261689190 135245929 /nfs/dbraw/zinc/24/59/29/135245929.db2.gz IXSCBVLSUWFLKL-WFASDCNBSA-N 2 0 247.386 1.543 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000261759396 135250837 /nfs/dbraw/zinc/25/08/37/135250837.db2.gz QZTZGVZXSDETHP-CYBMUJFWSA-N 3 0 225.380 1.047 20 0 BDADRP Cc1cc([C@@H]2CCCN(CC(C)(C)[NH3+])C2)n[nH]1 ZINC000261818401 135255168 /nfs/dbraw/zinc/25/51/68/135255168.db2.gz QJPHOZQEERLECC-LLVKDONJSA-N 2 0 236.363 1.635 20 0 BDADRP C[C@@]1(C[NH3+])CC[N@H+](Cc2cccc3c2NCC3)C1 ZINC000261821831 135255257 /nfs/dbraw/zinc/25/52/57/135255257.db2.gz XZSRQJUCXCZVFC-HNNXBMFYSA-N 2 0 245.370 1.825 20 0 BDADRP C[C@@H]([NH3+])CC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000261812110 135255663 /nfs/dbraw/zinc/25/56/63/135255663.db2.gz LXDYQWYLXCOVMM-UTUOFQBUSA-N 2 0 241.379 1.103 20 0 BDADRP COC[C@H]1CCCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261825204 135256250 /nfs/dbraw/zinc/25/62/50/135256250.db2.gz IPVDXDZERZZACS-KBPBESRZSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@]1(C[N@@H+]2CC[C@@]3(CCOC3)C2)CC[NH2+]C1 ZINC000261882892 135259852 /nfs/dbraw/zinc/25/98/52/135259852.db2.gz RINBNJCQOCZPQN-QWHCGFSZSA-N 2 0 224.348 1.098 20 0 BDADRP C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261933387 135264676 /nfs/dbraw/zinc/26/46/76/135264676.db2.gz LUTBEAOXIUMUMC-MBNYWOFBSA-N 2 0 240.391 1.467 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)[C@H](C)C2C[NH2+]C2)c1 ZINC000262009936 135272441 /nfs/dbraw/zinc/27/24/41/135272441.db2.gz BWAPFUAKUKZEHW-SNVBAGLBSA-N 2 0 247.342 1.200 20 0 BDADRP COCC[N@H+](CC(C)(C)[NH3+])[C@H]1CC[C@@H](C)C1 ZINC000262014927 135272781 /nfs/dbraw/zinc/27/27/81/135272781.db2.gz VPEMEUILPKLQSC-NEPJUHHUSA-N 2 0 228.380 1.861 20 0 BDADRP CCN1C[C@H](C)[N@H+](CC2CC[NH2+]CC2)C[C@H]1C ZINC000262013582 135272799 /nfs/dbraw/zinc/27/27/99/135272799.db2.gz VHMLGCFIEVJKKG-OLZOCXBDSA-N 2 0 239.407 1.401 20 0 BDADRP c1snnc1CN1CCC2(C1)CC[NH2+]CC2 ZINC000262016458 135272964 /nfs/dbraw/zinc/27/29/64/135272964.db2.gz MTDZQZJOESPBFD-UHFFFAOYSA-N 2 0 238.360 1.114 20 0 BDADRP CCN1C[C@@H](C)[N@H+](CC2CC[NH2+]CC2)C[C@@H]1C ZINC000262013586 135273340 /nfs/dbraw/zinc/27/33/40/135273340.db2.gz VHMLGCFIEVJKKG-QWHCGFSZSA-N 2 0 239.407 1.401 20 0 BDADRP CCOC[C@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262044561 135275665 /nfs/dbraw/zinc/27/56/65/135275665.db2.gz PNRVUJZZESORPO-STQMWFEESA-N 2 0 226.364 1.344 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000262048857 135275690 /nfs/dbraw/zinc/27/56/90/135275690.db2.gz ZJUJMLVBIQROOB-CYBMUJFWSA-N 2 0 224.348 1.097 20 0 BDADRP C[C@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@@H](C2CC2)O1 ZINC000262054010 135277245 /nfs/dbraw/zinc/27/72/45/135277245.db2.gz ZXAQCQYWNLQBNU-FZMZJTMJSA-N 2 0 238.375 1.485 20 0 BDADRP C[C@H](O)C[C@@H]1CCC[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000262100133 135278769 /nfs/dbraw/zinc/27/87/69/135278769.db2.gz VMROVTRTOHFYGP-RWMBFGLXSA-N 2 0 226.364 1.221 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000262128321 135280394 /nfs/dbraw/zinc/28/03/94/135280394.db2.gz CVKJPJVLLIYWIN-LBPRGKRZSA-N 3 0 225.380 1.047 20 0 BDADRP C[NH2+]CCC1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000262146060 135282019 /nfs/dbraw/zinc/28/20/19/135282019.db2.gz FLTSVEBSMKAYJO-UHFFFAOYSA-N 3 0 239.407 1.308 20 0 BDADRP C[C@@H](C[NH3+])C(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000262222826 135286122 /nfs/dbraw/zinc/28/61/22/135286122.db2.gz PHGKEFVNFUJFKU-JTQLQIEISA-N 2 0 247.342 1.019 20 0 BDADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C[NH3+])c1ccccc1 ZINC000262638698 135310464 /nfs/dbraw/zinc/31/04/64/135310464.db2.gz JHQHITUAYMSLFJ-LLVKDONJSA-N 2 0 249.358 1.191 20 0 BDADRP CCC(CC)(C[NH3+])NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000262608485 135315866 /nfs/dbraw/zinc/31/58/66/135315866.db2.gz UTMAXQLQOKQARX-GHMZBOCLSA-N 2 0 241.379 1.138 20 0 BDADRP C[C@@H]([NH3+])CCC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000262892752 135323570 /nfs/dbraw/zinc/32/35/70/135323570.db2.gz XAJDAAFDFAAHLM-PWSUYJOCSA-N 2 0 241.379 1.138 20 0 BDADRP CCc1nocc1CN1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000334294748 135341368 /nfs/dbraw/zinc/34/13/68/135341368.db2.gz UTAQETTUHGQISZ-SMDDNHRTSA-N 2 0 249.358 1.763 20 0 BDADRP CCN1C[C@H]([NH2+]CCc2ccccn2)[C@@H](C)C1 ZINC000342960447 135342378 /nfs/dbraw/zinc/34/23/78/135342378.db2.gz NVSMWDBTZPDKQR-JSGCOSHPSA-N 2 0 233.359 1.554 20 0 BDADRP c1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc2c1CCC2 ZINC000078838097 135395807 /nfs/dbraw/zinc/39/58/07/135395807.db2.gz QZQJWKFBYUWLTD-IYBDPMFKSA-N 2 0 242.366 1.827 20 0 BDADRP C[NH+](C)CCC[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000086901528 135498754 /nfs/dbraw/zinc/49/87/54/135498754.db2.gz LVOWYSRYTFIZSX-LBPRGKRZSA-N 2 0 226.364 1.629 20 0 BDADRP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089147335 135532436 /nfs/dbraw/zinc/53/24/36/135532436.db2.gz OLFGNJKRKJXQKB-TZMCWYRMSA-N 2 0 234.343 1.912 20 0 BDADRP CCC[C@](C)(O)C[NH2+]C1CCC([NH3+])CC1 ZINC000230688964 135550390 /nfs/dbraw/zinc/55/03/90/135550390.db2.gz BLOAMKAKBGCWCX-MCIGGMRASA-N 2 0 214.353 1.397 20 0 BDADRP C[C@@H]1OCC[C@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000334862393 135826606 /nfs/dbraw/zinc/82/66/06/135826606.db2.gz KWRISGKXAFNYKO-WDEREUQCSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H]1CC[NH2+][C@@H](C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000334955596 135849977 /nfs/dbraw/zinc/84/99/77/135849977.db2.gz MCRFHUXTSVSVLQ-GXFFZTMASA-N 2 0 247.342 1.472 20 0 BDADRP Cc1c[nH+]ccc1N(C)C[C@H]1CCC[N@@H+]1C ZINC000334969210 135853779 /nfs/dbraw/zinc/85/37/79/135853779.db2.gz QAAWOYHZDQAEOZ-GFCCVEGCSA-N 2 0 219.332 1.920 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccnc1 ZINC000335039026 135871057 /nfs/dbraw/zinc/87/10/57/135871057.db2.gz KYGBZWYRAXWJQQ-AAEUAGOBSA-N 2 0 219.332 1.559 20 0 BDADRP Cc1cc(N)cc(C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000335241883 135985114 /nfs/dbraw/zinc/98/51/14/135985114.db2.gz QDKFQUPDSKIUJS-AWEZNQCLSA-N 2 0 233.359 1.809 20 0 BDADRP c1n[nH]cc1CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000347748702 136010825 /nfs/dbraw/zinc/01/08/25/136010825.db2.gz MGQKTONUCYTELO-CQSZACIVSA-N 2 0 248.374 1.370 20 0 BDADRP C[C@H]1CN(C)C[C@H]1[NH2+]C1CC(C)(F)C1 ZINC000335374301 136084729 /nfs/dbraw/zinc/08/47/29/136084729.db2.gz SKZCNXNBQGOYHG-QPBDYMMBSA-N 2 0 200.301 1.417 20 0 BDADRP CO[C@@H](C)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000335571676 136109789 /nfs/dbraw/zinc/10/97/89/136109789.db2.gz ZNIKERQHRUTZGJ-NWDGAFQWSA-N 2 0 212.337 1.049 20 0 BDADRP c1cc([C@H]2CCC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)n[nH]1 ZINC000647514036 397771533 /nfs/dbraw/zinc/77/15/33/397771533.db2.gz AYZWPHMQMHBVCX-OLZOCXBDSA-N 2 0 248.374 1.589 20 0 BDADRP COC[C@H](C)[NH2+]CCCCNc1ccccn1 ZINC000162920070 397783721 /nfs/dbraw/zinc/78/37/21/397783721.db2.gz KPSSXWZLJQTYHK-LBPRGKRZSA-N 2 0 237.347 1.898 20 0 BDADRP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C[C@H]1CCC[NH+]1C ZINC000649573198 397965159 /nfs/dbraw/zinc/96/51/59/397965159.db2.gz XIVZMWRSPDPRRD-JHJVBQTASA-N 2 0 225.380 1.105 20 0 BDADRP COC[C@H](C)[NH2+]CCC[N@H+](C)CC(C)C ZINC000650130393 397938382 /nfs/dbraw/zinc/93/83/82/397938382.db2.gz SFMGUQKBRUONOC-LBPRGKRZSA-N 2 0 216.369 1.589 20 0 BDADRP CC[N@H+](C)C[C@H]1CCN(C[C@H]2CCC[NH+]2C)C1 ZINC000649548349 397940288 /nfs/dbraw/zinc/94/02/88/397940288.db2.gz UWWMPPOECQTEQN-ZIAGYGMSSA-N 2 0 239.407 1.354 20 0 BDADRP COCCOCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623376555 397956850 /nfs/dbraw/zinc/95/68/50/397956850.db2.gz YBVBUQAWPYKQOD-GFCCVEGCSA-N 2 0 244.379 1.112 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CCO[C@@H]1C)C[NH+]1CCCC1 ZINC000120311884 397996026 /nfs/dbraw/zinc/99/60/26/397996026.db2.gz YLYPPTXFQGVXON-JHJVBQTASA-N 2 0 226.364 1.485 20 0 BDADRP CCc1nc(C)c(CN2CC[C@@H]([NH3+])C[C@@H]2C)o1 ZINC000383054091 397996091 /nfs/dbraw/zinc/99/60/91/397996091.db2.gz LSIIBBCNLVQMDH-GXSJLCMTSA-N 2 0 237.347 1.857 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1Cc1nc([C@H]2CCC[NH2+]2)no1 ZINC000650227473 397997456 /nfs/dbraw/zinc/99/74/56/397997456.db2.gz DALZLTOIRWLNQQ-IVZWLZJFSA-N 2 0 236.319 1.164 20 0 BDADRP CC(C)OCC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000164644830 397999974 /nfs/dbraw/zinc/99/99/74/397999974.db2.gz PLBBXHNVOYGOPQ-RYUDHWBXSA-N 2 0 214.353 1.341 20 0 BDADRP C[C@@H]1CN(C[C@H]2CCC[N@@H+]2C)C[C@H](C)[NH+]1C ZINC000649618612 398004517 /nfs/dbraw/zinc/00/45/17/398004517.db2.gz GBEBBBLNBHBPRG-FRRDWIJNSA-N 2 0 225.380 1.105 20 0 BDADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000303305616 398013755 /nfs/dbraw/zinc/01/37/55/398013755.db2.gz QTRLIVARSKBEFJ-CYBMUJFWSA-N 2 0 242.407 1.811 20 0 BDADRP CCC[N@@H+](CC(=O)OC)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414676559 398014747 /nfs/dbraw/zinc/01/47/47/398014747.db2.gz VGXBZNLFJXOUME-NEPJUHHUSA-N 2 0 242.363 1.260 20 0 BDADRP CN(C)c1ccccc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414826303 398047858 /nfs/dbraw/zinc/04/78/58/398047858.db2.gz FJZICYSXRBJHLT-ZDUSSCGKSA-N 2 0 247.386 1.842 20 0 BDADRP CC[NH2+][C@@H](C)C(=O)Nc1ccccc1C[NH2+]C ZINC000637807865 398024134 /nfs/dbraw/zinc/02/41/34/398024134.db2.gz PVTPZOQMMUOHCV-JTQLQIEISA-N 2 0 235.331 1.343 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000414826546 398048872 /nfs/dbraw/zinc/04/88/72/398048872.db2.gz FQEHQFGKWGMMEL-RDBSUJKOSA-N 3 0 239.407 1.306 20 0 BDADRP CC[C@H]1C[N@H+](Cc2cccc(N)c2)CC[C@@H]1[NH3+] ZINC000647934804 398034332 /nfs/dbraw/zinc/03/43/32/398034332.db2.gz REJIQZRGBQEURW-JSGCOSHPSA-N 2 0 233.359 1.828 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CCOC1 ZINC000397229569 398054917 /nfs/dbraw/zinc/05/49/17/398054917.db2.gz PTFPACQKMGITOB-QJPTWQEYSA-N 2 0 212.337 1.273 20 0 BDADRP C[NH+](C)CC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000336791515 398121169 /nfs/dbraw/zinc/12/11/69/398121169.db2.gz NUIHRCQEEUUPSH-CYBMUJFWSA-N 2 0 249.358 1.144 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CC1(CCO)CC1 ZINC000643483005 398125498 /nfs/dbraw/zinc/12/54/98/398125498.db2.gz YZHRJRQFXHZTMC-NWDGAFQWSA-N 2 0 226.364 1.399 20 0 BDADRP C[C@@H](O)C1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000235291795 398128369 /nfs/dbraw/zinc/12/83/69/398128369.db2.gz NSVUSZUNIALQAO-GFCCVEGCSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@H](CCO)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623436380 398130344 /nfs/dbraw/zinc/13/03/44/398130344.db2.gz PGPQDISKVNFHKQ-VXGBXAGGSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@H]([NH3+])CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000257741035 322873705 /nfs/dbraw/zinc/87/37/05/322873705.db2.gz BKQMNWVSBQXHHU-QWHCGFSZSA-N 2 0 225.380 1.141 20 0 BDADRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccccc1 ZINC000258664973 322875603 /nfs/dbraw/zinc/87/56/03/322875603.db2.gz NWHNXCVCNDXCHN-ZDUSSCGKSA-N 2 0 233.359 1.242 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCCCS1 ZINC000308477126 175666363 /nfs/dbraw/zinc/66/63/63/175666363.db2.gz FDDKNSYEHRPVFJ-WDEREUQCSA-N 2 0 216.394 1.989 20 0 BDADRP C[C@H](CO)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000120689050 490067443 /nfs/dbraw/zinc/06/74/43/490067443.db2.gz HAUSVSVRPWYHOW-LBPRGKRZSA-N 2 0 228.380 1.279 20 0 BDADRP CC(C)[C@H](C)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000081058707 487577175 /nfs/dbraw/zinc/57/71/75/487577175.db2.gz JLAQLGVXVGXCGR-OLZOCXBDSA-N 2 0 228.380 1.325 20 0 BDADRP CC(C)[C@@H](C)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000081058711 487576957 /nfs/dbraw/zinc/57/69/57/487576957.db2.gz JLAQLGVXVGXCGR-QWHCGFSZSA-N 2 0 228.380 1.325 20 0 BDADRP CC(C)OCCC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357087775 167216152 /nfs/dbraw/zinc/21/61/52/167216152.db2.gz WZKDLTYEHXYFCV-QWHCGFSZSA-N 2 0 226.364 1.343 20 0 BDADRP CC(C)OCCC[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000011891421 167217101 /nfs/dbraw/zinc/21/71/01/167217101.db2.gz QXXFQZKFHFWZJP-NSHDSACASA-N 2 0 200.326 1.082 20 0 BDADRP CC(C)OCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128130700 167246160 /nfs/dbraw/zinc/24/61/60/167246160.db2.gz DJMXOYUARCCXKW-QWHCGFSZSA-N 2 0 226.364 1.628 20 0 BDADRP C([NH2+]C1CSC1)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000668819272 487587616 /nfs/dbraw/zinc/58/76/16/487587616.db2.gz NPIFEQDEGDRGCC-LBPRGKRZSA-N 2 0 240.416 1.813 20 0 BDADRP CC(C)OC[C@@H](C)[NH2+][C@@H](C)Cn1ccnc1 ZINC000309398217 167257341 /nfs/dbraw/zinc/25/73/41/167257341.db2.gz VUMKZDDKYYXJMP-NWDGAFQWSA-N 2 0 225.336 1.675 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[C@H](O)C2)C1 ZINC000300376565 487591764 /nfs/dbraw/zinc/59/17/64/487591764.db2.gz LMWXXQQTELARQU-USZNOCQGSA-N 2 0 212.337 1.007 20 0 BDADRP COCC[C@@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000532291114 487601890 /nfs/dbraw/zinc/60/18/90/487601890.db2.gz HYHXUJUGUIIRMQ-KGLIPLIRSA-N 2 0 240.391 1.829 20 0 BDADRP c1csc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)n1 ZINC000308975734 487603663 /nfs/dbraw/zinc/60/36/63/487603663.db2.gz GOIYUSLENFKYBF-SNVBAGLBSA-N 2 0 225.361 1.765 20 0 BDADRP C[C@@H](C[NH3+])N(C)Cc1cccc2c1CC[NH2+]C2 ZINC000662243338 409535312 /nfs/dbraw/zinc/53/53/12/409535312.db2.gz ISDWLVLPTKDWGM-NSHDSACASA-N 2 0 233.359 1.111 20 0 BDADRP CO[C@@H](C[N@@H+]1CC[C@@H](C[NH3+])C1)C1CCCCC1 ZINC000662245202 409538044 /nfs/dbraw/zinc/53/80/44/409538044.db2.gz IUFBYQCEIWSFQB-JSGCOSHPSA-N 2 0 240.391 1.862 20 0 BDADRP C[N@@H+](Cc1ccccc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248690 409548733 /nfs/dbraw/zinc/54/87/33/409548733.db2.gz AVOZISITIUXIDV-AWEZNQCLSA-N 2 0 246.354 1.639 20 0 BDADRP C[N@@H+](Cc1ccccc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662248691 409548923 /nfs/dbraw/zinc/54/89/23/409548923.db2.gz AVOZISITIUXIDV-CQSZACIVSA-N 2 0 246.354 1.639 20 0 BDADRP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CCC2(CCC2)C1 ZINC000662255363 409551487 /nfs/dbraw/zinc/55/14/87/409551487.db2.gz OUOPRXKJMGEWIK-LBPRGKRZSA-N 2 0 236.359 1.383 20 0 BDADRP C(C[N@@H+]1CC[C@@H]2COC[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000662315468 409634999 /nfs/dbraw/zinc/63/49/99/409634999.db2.gz FWXCUEQFXBBZPY-MJBXVCDLSA-N 2 0 238.375 1.344 20 0 BDADRP CCc1nocc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000662274684 409583977 /nfs/dbraw/zinc/58/39/77/409583977.db2.gz WDYKOFFGWSOAHK-TXEJJXNPSA-N 2 0 249.358 1.668 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000653131050 409845886 /nfs/dbraw/zinc/84/58/86/409845886.db2.gz VQJWGLPVKNFVFG-GFCCVEGCSA-N 2 0 247.342 1.474 20 0 BDADRP c1ccc2c(c1)C[NH2+]CCN2C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663495485 410274544 /nfs/dbraw/zinc/27/45/44/410274544.db2.gz YFTSUELNMQBVIC-HIFRSBDPSA-N 2 0 243.354 1.206 20 0 BDADRP CC(C)C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707260 410337948 /nfs/dbraw/zinc/33/79/48/410337948.db2.gz BVMLLJFRBGZEMV-MJBXVCDLSA-N 2 0 240.391 1.861 20 0 BDADRP C[C@H]1C[C@@H]1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709775 410340675 /nfs/dbraw/zinc/34/06/75/410340675.db2.gz PYNIRNBBBGPSTE-RNJOBUHISA-N 2 0 208.349 1.703 20 0 BDADRP [NH3+]CC1(CC[NH2+]Cc2cscn2)CC1 ZINC000650712572 410341636 /nfs/dbraw/zinc/34/16/36/410341636.db2.gz KVUWWVHAKCHTRL-UHFFFAOYSA-N 2 0 211.334 1.362 20 0 BDADRP Cc1n[nH]cc1C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000650711542 410341695 /nfs/dbraw/zinc/34/16/95/410341695.db2.gz WPTIVBZEYCZTLC-MFKMUULPSA-N 2 0 236.363 1.667 20 0 BDADRP [NH3+]CC1(CC[NH2+]Cc2ccccn2)CC1 ZINC000650712190 410342792 /nfs/dbraw/zinc/34/27/92/410342792.db2.gz VMIOMKGONQSFDM-UHFFFAOYSA-N 2 0 205.305 1.300 20 0 BDADRP CCn1cc(C[NH2+]CCC2(C[NH3+])CC2)cn1 ZINC000650712624 410343023 /nfs/dbraw/zinc/34/30/23/410343023.db2.gz MERBBRDHZKNOJA-UHFFFAOYSA-N 2 0 222.336 1.122 20 0 BDADRP CN(C)c1ccccc1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650712672 410343128 /nfs/dbraw/zinc/34/31/28/410343128.db2.gz OSTFESSIWZPTDD-UHFFFAOYSA-N 2 0 247.386 1.971 20 0 BDADRP [NH3+]CC1(CC[NH2+][C@@H]2CCCSC2)CC1 ZINC000650713229 410345465 /nfs/dbraw/zinc/34/54/65/410345465.db2.gz LDLXSEJFRKTKLU-SNVBAGLBSA-N 2 0 214.378 1.601 20 0 BDADRP [NH3+]CC1(CC[NH2+]C[C@H]2CCSC2)CC1 ZINC000650713888 410345548 /nfs/dbraw/zinc/34/55/48/410345548.db2.gz IECLNDBSRKATSQ-SNVBAGLBSA-N 2 0 214.378 1.458 20 0 BDADRP Cc1ccncc1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650713931 410345768 /nfs/dbraw/zinc/34/57/68/410345768.db2.gz JIYZVVQHMNQKEO-UHFFFAOYSA-N 2 0 219.332 1.609 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+]CC1CC1 ZINC000650719642 410358481 /nfs/dbraw/zinc/35/84/81/410358481.db2.gz XFUXZCVDFKQZSW-UHFFFAOYSA-N 2 0 204.317 1.906 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+]C[C@H](C)COC ZINC000650720498 410358682 /nfs/dbraw/zinc/35/86/82/410358682.db2.gz RCPOOPLIXAZISB-LBPRGKRZSA-N 2 0 236.359 1.778 20 0 BDADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CC2CC2)C1 ZINC000650723187 410361096 /nfs/dbraw/zinc/36/10/96/410361096.db2.gz IQYNYWOSIZAZIM-MCIONIFRSA-N 2 0 238.375 1.757 20 0 BDADRP c1ccc2c(c1)CC[C@H](CCN[C@H]1CC[NH2+]C1)N2 ZINC000650720820 410361132 /nfs/dbraw/zinc/36/11/32/410361132.db2.gz BZESCPSUOVUUAJ-KGLIPLIRSA-N 2 0 245.370 1.755 20 0 BDADRP CC(C)C[N@H+](C)CCCN[C@@H](C)C1C[NH2+]C1 ZINC000650741188 410373219 /nfs/dbraw/zinc/37/32/19/410373219.db2.gz ZSYFDUBHDBBZON-LBPRGKRZSA-N 2 0 227.396 1.162 20 0 BDADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1cncs1 ZINC000650744112 410380172 /nfs/dbraw/zinc/38/01/72/410380172.db2.gz GOQCHYOJYQRHCK-SECBINFHSA-N 2 0 225.361 1.923 20 0 BDADRP Cn1ccnc1[C@@H]([NH2+]CCC1(C[NH3+])CC1)C1CC1 ZINC000650745779 410383204 /nfs/dbraw/zinc/38/32/04/410383204.db2.gz NQHOIKYGDGCDGA-LBPRGKRZSA-N 2 0 248.374 1.590 20 0 BDADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650746171 410383357 /nfs/dbraw/zinc/38/33/57/410383357.db2.gz XQDSNHYYVZSJIL-YPMHNXCESA-N 2 0 237.391 1.188 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650747789 410387924 /nfs/dbraw/zinc/38/79/24/410387924.db2.gz HUZHWGKZUBMRQK-RYUDHWBXSA-N 3 0 225.380 1.223 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC2(C[NH3+])CC2)[C@H](C)O1 ZINC000650747651 410388330 /nfs/dbraw/zinc/38/83/30/410388330.db2.gz FANZAXRRXQYVRG-VWYCJHECSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCC2(C[NH3+])CC2)[C@@H](C)O1 ZINC000650747648 410388438 /nfs/dbraw/zinc/38/84/38/410388438.db2.gz FANZAXRRXQYVRG-GMTAPVOTSA-N 2 0 212.337 1.271 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+][C@@H]1CNc2ccccc2C1 ZINC000650748098 410388742 /nfs/dbraw/zinc/38/87/42/410388742.db2.gz MZDJARFUQHXIOW-OUCADQQQSA-N 2 0 231.343 1.493 20 0 BDADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1cc2n(n1)CCC2 ZINC000650748461 410390201 /nfs/dbraw/zinc/39/02/01/410390201.db2.gz UVZBOHQTNTYCED-NSHDSACASA-N 2 0 248.374 1.609 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650762215 410411511 /nfs/dbraw/zinc/41/15/11/410411511.db2.gz XGCKHGBEUXVNLC-OCCSQVGLSA-N 3 0 239.407 1.354 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCC2CC[NH2+]CC2)CC[N@@H+]1C ZINC000650763923 410414828 /nfs/dbraw/zinc/41/48/28/410414828.db2.gz MHEFBVQRRGAGIU-JSGCOSHPSA-N 3 0 239.407 1.448 20 0 BDADRP Cc1c[nH]nc1CN[C@H](C)CC[NH+](C)C ZINC000289693339 410580786 /nfs/dbraw/zinc/58/07/86/410580786.db2.gz BKGXXJCZNBAURM-SNVBAGLBSA-N 2 0 210.325 1.148 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)CC[NH2+]1 ZINC000653279856 410631521 /nfs/dbraw/zinc/63/15/21/410631521.db2.gz BQQMLXJAAUAUGX-LPWJVIDDSA-N 3 0 225.380 1.186 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1cccc(N)c1 ZINC000665232937 410724782 /nfs/dbraw/zinc/72/47/82/410724782.db2.gz YBINCJXNKAFNAZ-BPNCWPANSA-N 2 0 249.358 1.111 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1c(C2CC2)cnn1C ZINC000665264488 410739968 /nfs/dbraw/zinc/73/99/68/410739968.db2.gz ABJFEADGRCDRDM-ZJUUUORDSA-N 2 0 236.363 1.513 20 0 BDADRP Cc1cncc(CC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000665274077 410743410 /nfs/dbraw/zinc/74/34/10/410743410.db2.gz JHADMQWUSDVKTB-TZMCWYRMSA-N 2 0 248.374 1.435 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000665280569 410755733 /nfs/dbraw/zinc/75/57/33/410755733.db2.gz GLYINBLMFUCLAD-HBNTYKKESA-N 2 0 202.342 1.373 20 0 BDADRP C[C@H](C1CC1)[N@H+](C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000393735458 410757865 /nfs/dbraw/zinc/75/78/65/410757865.db2.gz BFOYMYFJJKCXTQ-GHMZBOCLSA-N 2 0 208.349 1.859 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CC(C)(C)CO ZINC000393692376 410758005 /nfs/dbraw/zinc/75/80/05/410758005.db2.gz XJSBYVXVJUYMIE-SNVBAGLBSA-N 2 0 202.342 1.112 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000393952844 410772054 /nfs/dbraw/zinc/77/20/54/410772054.db2.gz QVWZUXRWDWVGIJ-IJLUTSLNSA-N 2 0 212.337 1.271 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@H]([NH3+])C[C@H]1C ZINC000653299376 410814318 /nfs/dbraw/zinc/81/43/18/410814318.db2.gz RGOJROFGCOQRMH-OLZOCXBDSA-N 2 0 227.396 1.530 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000396449882 410882269 /nfs/dbraw/zinc/88/22/69/410882269.db2.gz SNUYZAKMBUVIBH-CHWSQXEVSA-N 3 0 241.423 1.824 20 0 BDADRP CC(C)C[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000109121396 167006331 /nfs/dbraw/zinc/00/63/31/167006331.db2.gz NNKPNQXGXNLYCX-ZDUSSCGKSA-N 2 0 228.380 1.325 20 0 BDADRP CC(C)COC1CC[NH+](CCOCC[NH3+])CC1 ZINC000357071948 167023402 /nfs/dbraw/zinc/02/34/02/167023402.db2.gz CTPXSTZRXKMDOV-UHFFFAOYSA-N 2 0 244.379 1.099 20 0 BDADRP CC(C)[NH2+]CCN1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000370579254 167107718 /nfs/dbraw/zinc/10/77/18/167107718.db2.gz IMINNSOQOOXLMH-KGLIPLIRSA-N 2 0 239.407 1.543 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000041680192 410933401 /nfs/dbraw/zinc/93/34/01/410933401.db2.gz ZWEYAFPANNEDCE-WCQYABFASA-N 2 0 243.395 1.350 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N[C@H](C)C[NH+](CC)CC ZINC000041680193 410933761 /nfs/dbraw/zinc/93/37/61/410933761.db2.gz ZWEYAFPANNEDCE-YPMHNXCESA-N 2 0 243.395 1.350 20 0 BDADRP CC[NH+](CC)[C@@H](CNC(=O)CC[NH3+])CC(C)C ZINC000236821424 169797639 /nfs/dbraw/zinc/79/76/39/169797639.db2.gz TVQHKLKBKVMCMT-GFCCVEGCSA-N 2 0 243.395 1.208 20 0 BDADRP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H]1CCCCO1 ZINC000400934107 411163153 /nfs/dbraw/zinc/16/31/53/411163153.db2.gz JYBGSRJYNNNPMX-AAVRWANBSA-N 2 0 238.375 1.533 20 0 BDADRP CCn1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000400915468 411163635 /nfs/dbraw/zinc/16/36/35/411163635.db2.gz CIXKUFXQPQYCLZ-BFHYXJOUSA-N 2 0 248.374 1.381 20 0 BDADRP CC(C)C[N@H+](C)CCCN[C@@H]1C[NH+](C)C[C@@H]1C ZINC000651865665 411148125 /nfs/dbraw/zinc/14/81/25/411148125.db2.gz CPUZCZURDWCWFF-UONOGXRCSA-N 2 0 241.423 1.504 20 0 BDADRP C[C@@H]1CN(CCc2noc3ccccc32)C[C@@H]1[NH3+] ZINC000655941339 411160447 /nfs/dbraw/zinc/16/04/47/411160447.db2.gz QOUZDCKMEGGLMK-PWSUYJOCSA-N 2 0 245.326 1.649 20 0 BDADRP CCC(C)(C)[NH+]1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000655947689 411161207 /nfs/dbraw/zinc/16/12/07/411161207.db2.gz VPHCGNQBRCHPMR-CYBMUJFWSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@H](O)C[N@H+](CC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000655949220 411161240 /nfs/dbraw/zinc/16/12/40/411161240.db2.gz PZOHAHFESDXGAV-NWDGAFQWSA-N 2 0 226.364 1.221 20 0 BDADRP Cc1ncc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)o1 ZINC000400995668 411168280 /nfs/dbraw/zinc/16/82/80/411168280.db2.gz IQHHZJHJIRFEEI-IJLUTSLNSA-N 2 0 235.331 1.461 20 0 BDADRP CC[C@H]([NH2+]CC(C)(C)CO)[C@@H]1CCC[NH2+]1 ZINC000643475028 411169107 /nfs/dbraw/zinc/16/91/07/411169107.db2.gz PTPBJRBOYOBQAM-QWRGUYRKSA-N 2 0 214.353 1.125 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](C2CC2)C1 ZINC000653677738 411169755 /nfs/dbraw/zinc/16/97/55/411169755.db2.gz BUUYCSXGOBLBNI-ZIAGYGMSSA-N 2 0 240.391 1.421 20 0 BDADRP C[C@H](Cn1ccnc1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401022779 411173645 /nfs/dbraw/zinc/17/36/45/411173645.db2.gz LTCIXYAXSTYFAW-XJFOESAGSA-N 2 0 248.374 1.249 20 0 BDADRP Cc1c(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cnn1C ZINC000401040275 411174372 /nfs/dbraw/zinc/17/43/72/411174372.db2.gz TVCOBYIYUHYCPC-MBNYWOFBSA-N 2 0 248.374 1.206 20 0 BDADRP COC[C@@H]([NH2+]CCC[N@H+](C)CC(C)C)C1CC1 ZINC000652221974 411175775 /nfs/dbraw/zinc/17/57/75/411175775.db2.gz BCWRHCRBDCUXOX-CQSZACIVSA-N 2 0 242.407 1.979 20 0 BDADRP CC1(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CCCC1 ZINC000111621043 411176039 /nfs/dbraw/zinc/17/60/39/411176039.db2.gz NYGOUJADBASBCB-CYBMUJFWSA-N 2 0 240.391 1.613 20 0 BDADRP C(C1CC1)[NH+](CC1CC1)C[C@H]1CC[NH2+]C1 ZINC000070505442 411197952 /nfs/dbraw/zinc/19/79/52/411197952.db2.gz MQLUPNRDQQNHEH-ZDUSSCGKSA-N 2 0 208.349 1.718 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](N[C@@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC000656193032 411198641 /nfs/dbraw/zinc/19/86/41/411198641.db2.gz JEYROLRJAAZTRY-FRRDWIJNSA-N 2 0 237.391 1.521 20 0 BDADRP C[C@H](O)C[N@H+](C[C@H]1CC[NH2+][C@@H](C)C1)C1CC1 ZINC000656194210 411199866 /nfs/dbraw/zinc/19/98/66/411199866.db2.gz DTIKEXNADARRQC-SRVKXCTJSA-N 2 0 226.364 1.220 20 0 BDADRP C[C@@H](Cc1ccccn1)[NH2+]C1CC[NH2+]CC1 ZINC000656193610 411199972 /nfs/dbraw/zinc/19/99/72/411199972.db2.gz OUVIEAVIYXZDTM-NSHDSACASA-N 2 0 219.332 1.354 20 0 BDADRP C[C@@H]1C[N@H+](CCCC2CC[NH2+]CC2)CCCO1 ZINC000061934601 411201976 /nfs/dbraw/zinc/20/19/76/411201976.db2.gz OXHREIFVEHGETK-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP Cc1occc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000656198114 411203001 /nfs/dbraw/zinc/20/30/01/411203001.db2.gz DYRLMLDKUOTEBQ-RYUDHWBXSA-N 2 0 208.305 1.948 20 0 BDADRP Cc1cnc(CC[NH2+][C@@H](C)C[C@H](C)[NH3+])c(C)c1 ZINC000656199658 411203205 /nfs/dbraw/zinc/20/32/05/411203205.db2.gz ACQOSOHBIYDALO-STQMWFEESA-N 2 0 235.375 1.956 20 0 BDADRP CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000656199858 411204383 /nfs/dbraw/zinc/20/43/83/411204383.db2.gz AJUDAMUXWWYKJY-QCNOEVLYSA-N 2 0 212.337 1.413 20 0 BDADRP COCC1(C[NH2+][C@H](C)CCCC[NH3+])CC1 ZINC000656199965 411204484 /nfs/dbraw/zinc/20/44/84/411204484.db2.gz HKWOOPJYCDTIKY-LLVKDONJSA-N 2 0 214.353 1.520 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC000656200147 411204576 /nfs/dbraw/zinc/20/45/76/411204576.db2.gz GAWRGURWAYTUCQ-CABCVRRESA-N 3 0 245.370 1.649 20 0 BDADRP CCc1cc(NC[C@H]2C[C@@H]([NH+](C)C)C2)cc[nH+]1 ZINC000656211677 411210629 /nfs/dbraw/zinc/21/06/29/411210629.db2.gz JBNXGYIROVNPIV-VDISTLRHSA-N 2 0 233.359 1.818 20 0 BDADRP C[C@@H](CO)C1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000652358580 411216752 /nfs/dbraw/zinc/21/67/52/411216752.db2.gz TXTWZWFMHIFYEP-QWHCGFSZSA-N 2 0 240.391 1.326 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000658045175 411217401 /nfs/dbraw/zinc/21/74/01/411217401.db2.gz CRAABMCMCFXITQ-RWMBFGLXSA-N 2 0 238.375 1.628 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCCn3nccc32)C1 ZINC000658047234 411218258 /nfs/dbraw/zinc/21/82/58/411218258.db2.gz PKASWHUTISFWOL-FRRDWIJNSA-N 2 0 248.374 1.648 20 0 BDADRP CC[N@H+](CCN[C@H]1CCCCC[C@H]1[NH3+])C(C)C ZINC000422883829 411233939 /nfs/dbraw/zinc/23/39/39/411233939.db2.gz VRFNWXHDOFNGTP-KGLIPLIRSA-N 2 0 241.423 1.966 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[NH3+])Oc1ccccc1 ZINC000422976461 411235813 /nfs/dbraw/zinc/23/58/13/411235813.db2.gz DHHZKIBLTMFQEI-KWCYVHTRSA-N 2 0 234.343 1.923 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000423173366 411236583 /nfs/dbraw/zinc/23/65/83/411236583.db2.gz YEEMYKQECSWNLP-KBPBESRZSA-N 3 0 241.423 1.825 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])[C@@H](C)O1 ZINC000423193759 411238276 /nfs/dbraw/zinc/23/82/76/411238276.db2.gz WFAXEEYSKBQQRS-SYLRKERUSA-N 2 0 226.364 1.517 20 0 BDADRP CCC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)COC1 ZINC000400907234 411165545 /nfs/dbraw/zinc/16/55/45/411165545.db2.gz BWXBBBHCPZYHFG-JHJVBQTASA-N 2 0 238.375 1.391 20 0 BDADRP CCN(CC)CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400973457 411167376 /nfs/dbraw/zinc/16/73/76/411167376.db2.gz NZHNPAHVOXEXIA-MELADBBJSA-N 2 0 239.407 1.306 20 0 BDADRP CC(C)(CCO)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400970972 411167386 /nfs/dbraw/zinc/16/73/86/411167386.db2.gz PDSQMUSCPGZNOX-YNEHKIRRSA-N 2 0 240.391 1.373 20 0 BDADRP CCC(O)(CC)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400974524 411167470 /nfs/dbraw/zinc/16/74/70/411167470.db2.gz RBRHYWNACNNHLS-YNEHKIRRSA-N 2 0 240.391 1.515 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400984870 411167808 /nfs/dbraw/zinc/16/78/08/411167808.db2.gz VXKDEGRWPBPFHH-KSTCHIGDSA-N 2 0 238.375 1.389 20 0 BDADRP C[NH+](C)CC1CC[NH+](Cc2ccc(N)nc2)CC1 ZINC000050815607 411265963 /nfs/dbraw/zinc/26/59/63/411265963.db2.gz HOTPDMPHERVQQB-UHFFFAOYSA-N 2 0 248.374 1.437 20 0 BDADRP CC(C)(C)[C@H]([NH3+])c1cn(C2CC[NH2+]CC2)nn1 ZINC000656457225 411266310 /nfs/dbraw/zinc/26/63/10/411266310.db2.gz TUMPKXJWLARLDT-LLVKDONJSA-N 2 0 237.351 1.249 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CC2([NH3+])CCOCC2)C1 ZINC000129376462 411268139 /nfs/dbraw/zinc/26/81/39/411268139.db2.gz PNFYHIZFHIALJS-GHMZBOCLSA-N 2 0 212.337 1.273 20 0 BDADRP CCCC[N@H+](CCOC)C[C@H]1CC[NH2+]C1 ZINC000309840487 411268176 /nfs/dbraw/zinc/26/81/76/411268176.db2.gz OOUHLQGDZIEIPF-LBPRGKRZSA-N 2 0 214.353 1.344 20 0 BDADRP CC[N@H+](CC[C@@H]1CC[NH2+]C1)[C@@H]1CCCOC1 ZINC000402615147 411279105 /nfs/dbraw/zinc/27/91/05/411279105.db2.gz RELBGGXPHCCDBX-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP C[N@H+](C[C@H]1CC[NH2+]C1)C[C@@H]1CCCCO1 ZINC000051889631 411285650 /nfs/dbraw/zinc/28/56/50/411285650.db2.gz VDXNTTATJSUJCG-RYUDHWBXSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)CC2CC2)CC[N@@H+]1C ZINC000658252114 411314786 /nfs/dbraw/zinc/31/47/86/411314786.db2.gz YQAQSCLMYIKVPQ-BNOWGMLFSA-N 2 0 240.391 1.467 20 0 BDADRP CC[C@@H]1C[N@H+](CCC[NH3+])[C@H](CC)CO1 ZINC000403734694 411356449 /nfs/dbraw/zinc/35/64/49/411356449.db2.gz IIKMAPYMEVWNMT-GHMZBOCLSA-N 2 0 200.326 1.225 20 0 BDADRP C[C@H]([NH3+])[C@@H]1C[N@H+](C[C@@H](C)C(C)(C)C)CCO1 ZINC000304282620 411357873 /nfs/dbraw/zinc/35/78/73/411357873.db2.gz MLCOKDJPUDWUBO-WOPDTQHZSA-N 2 0 228.380 1.717 20 0 BDADRP CO[C@H]1CCC[C@H]([NH2+]C[C@H](C)N(C)C)C1 ZINC000069847860 411360359 /nfs/dbraw/zinc/36/03/59/411360359.db2.gz DYOHTWCADARUBT-SRVKXCTJSA-N 2 0 214.353 1.484 20 0 BDADRP [NH3+]CCC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656782547 411360436 /nfs/dbraw/zinc/36/04/36/411360436.db2.gz HJMLFPSAEPUYJE-ZDUSSCGKSA-N 3 0 225.380 1.047 20 0 BDADRP C[C@H](C[NH2+]C[C@@]1(C)CC[NH2+]C1)c1ccccn1 ZINC000656783969 411361236 /nfs/dbraw/zinc/36/12/36/411361236.db2.gz WXRSRTMXUOKTBK-OCCSQVGLSA-N 2 0 233.359 1.774 20 0 BDADRP Nc1cccc(C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000656786062 411364189 /nfs/dbraw/zinc/36/41/89/411364189.db2.gz UURBLRAEQJYUDX-ZDUSSCGKSA-N 2 0 219.332 1.501 20 0 BDADRP COCC(C)(C)C[NH2+]CC1([NH3+])CCCC1 ZINC000656788984 411368781 /nfs/dbraw/zinc/36/87/81/411368781.db2.gz HQVRPMHPCPAFKO-UHFFFAOYSA-N 2 0 214.353 1.520 20 0 BDADRP CC(C)([NH3+])CNc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000656791396 411370465 /nfs/dbraw/zinc/37/04/65/411370465.db2.gz FDZSXRMKWNKMFT-ZDUSSCGKSA-N 2 0 249.358 1.497 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C[C@H](C)O1 ZINC000656791610 411370549 /nfs/dbraw/zinc/37/05/49/411370549.db2.gz IINJFQVVANAQJC-AGIUHOORSA-N 2 0 226.364 1.485 20 0 BDADRP CC1(C)[C@H](O)C[C@@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000335061660 167996700 /nfs/dbraw/zinc/99/67/00/167996700.db2.gz BXWKYIBYXWVPLQ-MMVSWEMESA-N 2 0 226.364 1.253 20 0 BDADRP C[C@H](O)CCC[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660665073 411376834 /nfs/dbraw/zinc/37/68/34/411376834.db2.gz TZMVRWAJJYYAOP-KBPBESRZSA-N 2 0 240.391 1.565 20 0 BDADRP C[NH+](C)C1(CNC(=O)CC(C)(C)[NH3+])CCCC1 ZINC000125652285 411391908 /nfs/dbraw/zinc/39/19/08/411391908.db2.gz PYTHAYKXUJJCAC-UHFFFAOYSA-N 2 0 241.379 1.104 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2COC(C)(C)C2)C1 ZINC000659929115 411385134 /nfs/dbraw/zinc/38/51/34/411385134.db2.gz WYSOCGNDSODJNI-RYUDHWBXSA-N 2 0 226.364 1.437 20 0 BDADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H](C)C[NH+](C)C ZINC000346285346 168301552 /nfs/dbraw/zinc/30/15/52/168301552.db2.gz YNSWBCDCQLWJRW-WDEREUQCSA-N 2 0 243.395 1.219 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]C[C@@H](C)C[NH+]2CCCC2)CO1 ZINC000657319214 411460694 /nfs/dbraw/zinc/46/06/94/411460694.db2.gz VMPAKQLEIYFMCQ-HZSPNIEDSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CO1 ZINC000657313684 411460855 /nfs/dbraw/zinc/46/08/55/411460855.db2.gz MPPYWACTQBQCJE-XDQVBPFNSA-N 2 0 238.375 1.770 20 0 BDADRP FC1(F)CC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647795902 411401205 /nfs/dbraw/zinc/40/12/05/411401205.db2.gz YZWVXAZIBBDQON-KXUCPTDWSA-N 2 0 230.302 1.762 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653055124 411406757 /nfs/dbraw/zinc/40/67/57/411406757.db2.gz OWBADBWRUXZEJY-RYUDHWBXSA-N 2 0 241.379 1.010 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)CCO1 ZINC000070360446 411408679 /nfs/dbraw/zinc/40/86/79/411408679.db2.gz IPTAOJNTTAHVEF-UONOGXRCSA-N 2 0 240.391 1.875 20 0 BDADRP [NH3+]CCC[NH+]1CCC2(CC2(F)F)CC1 ZINC000405114073 411417690 /nfs/dbraw/zinc/41/76/90/411417690.db2.gz QKXCVHGFBKPTPZ-UHFFFAOYSA-N 2 0 204.264 1.456 20 0 BDADRP Cc1c[nH]c(C[NH2+]CCCn2ccnc2)n1 ZINC000657286278 411446179 /nfs/dbraw/zinc/44/61/79/411446179.db2.gz NQPMLCVOWAFTQN-UHFFFAOYSA-N 2 0 219.292 1.095 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)CCO1 ZINC000414824746 411448302 /nfs/dbraw/zinc/44/83/02/411448302.db2.gz BDCQOYXBAHTPBH-MCIONIFRSA-N 2 0 240.391 1.779 20 0 BDADRP Cc1c[nH]c(CNC[C@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000657334725 411468495 /nfs/dbraw/zinc/46/84/95/411468495.db2.gz FTHSZDTVHBXRJA-GFCCVEGCSA-N 2 0 236.363 1.538 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2cccc(O)c2)C1 ZINC000414994149 411480519 /nfs/dbraw/zinc/48/05/19/411480519.db2.gz LUJCRMKANSPYME-DGCLKSJQSA-N 2 0 234.343 1.999 20 0 BDADRP CC[C@@H](O)CCC[NH2+]Cc1cnc2n1CCC2 ZINC000657373912 411482721 /nfs/dbraw/zinc/48/27/21/411482721.db2.gz ATCUDDRNICXWBW-GFCCVEGCSA-N 2 0 237.347 1.470 20 0 BDADRP CC(C)C[C@H]1CC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000307846066 411487115 /nfs/dbraw/zinc/48/71/15/411487115.db2.gz QVBRORXLJGKIGA-OLZOCXBDSA-N 2 0 210.365 1.964 20 0 BDADRP CC(C)C[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000307846067 411487236 /nfs/dbraw/zinc/48/72/36/411487236.db2.gz QVBRORXLJGKIGA-QWHCGFSZSA-N 2 0 210.365 1.964 20 0 BDADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CCC[NH3+] ZINC000415089125 411491788 /nfs/dbraw/zinc/49/17/88/411491788.db2.gz MTEUZNRLPABENH-ZWNOBZJWSA-N 2 0 204.317 1.858 20 0 BDADRP COC(C)(C)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000300949728 411492341 /nfs/dbraw/zinc/49/23/41/411492341.db2.gz HAFPOXRONASUNT-RYUDHWBXSA-N 2 0 228.380 1.731 20 0 BDADRP CC[NH+]1CCC(C[NH+]2CCC([NH3+])CC2)CC1 ZINC000044518825 169952056 /nfs/dbraw/zinc/95/20/56/169952056.db2.gz IVNDGNMNENWMTJ-UHFFFAOYSA-N 3 0 225.380 1.141 20 0 BDADRP CC[C@@H](O)CC[NH2+]Cc1cnc2n1CCC2 ZINC000657397922 411495380 /nfs/dbraw/zinc/49/53/80/411495380.db2.gz GVDDEIMLTWBVEO-LLVKDONJSA-N 2 0 223.320 1.080 20 0 BDADRP C[NH2+]Cc1ccccc1NC(=O)C[C@H]1CC[NH2+]C1 ZINC000127623881 411498327 /nfs/dbraw/zinc/49/83/27/411498327.db2.gz SDMXXMZTWYPVAI-LLVKDONJSA-N 2 0 247.342 1.344 20 0 BDADRP CC[C@H](CO)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657428052 411503990 /nfs/dbraw/zinc/50/39/90/411503990.db2.gz WSFCUGVLHWAOOF-LLVKDONJSA-N 2 0 246.314 1.128 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+]Cc1cnc2n1CCC2 ZINC000657450571 411511394 /nfs/dbraw/zinc/51/13/94/411511394.db2.gz RTNFERSCRVHDKX-PWSUYJOCSA-N 2 0 235.331 1.344 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCCn3ccnc32)C1 ZINC000655803457 411518448 /nfs/dbraw/zinc/51/84/48/411518448.db2.gz PUQKUSKFSJXXDY-XQQFMLRXSA-N 2 0 248.374 1.648 20 0 BDADRP Cc1nocc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655823857 411526475 /nfs/dbraw/zinc/52/64/75/411526475.db2.gz ABKDYMHYBMYUFY-KLPPZKSPSA-N 2 0 223.320 1.413 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](COC)CC(C)C)C1 ZINC000360412251 170008887 /nfs/dbraw/zinc/00/88/87/170008887.db2.gz GAANYNLLNBBEQI-KBPBESRZSA-N 2 0 242.407 1.979 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CCCC[NH3+])C1 ZINC000309186122 170009058 /nfs/dbraw/zinc/00/90/58/170009058.db2.gz BHZDAIMCYRTYIR-OLZOCXBDSA-N 3 0 227.396 1.435 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+]C2CCSCC2)C1 ZINC000037484294 170015183 /nfs/dbraw/zinc/01/51/83/170015183.db2.gz KOYDZILJWICUSS-LLVKDONJSA-N 2 0 228.405 1.813 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc[nH]c2)C1 ZINC000085579302 170015322 /nfs/dbraw/zinc/01/53/22/170015322.db2.gz JLVBPNALMYFJQR-GFCCVEGCSA-N 2 0 207.321 1.446 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@H]2CCCO2)C1 ZINC000309468997 170016599 /nfs/dbraw/zinc/01/65/99/170016599.db2.gz UARYFVHIBRTFGB-JHJVBQTASA-N 2 0 226.364 1.485 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)[C@H]2C)C1 ZINC000336672805 170016692 /nfs/dbraw/zinc/01/66/92/170016692.db2.gz GOLAWFZXPUPVEV-FDYHWXHSSA-N 2 0 210.365 1.962 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H](C)[C@H]2C)C1 ZINC000336672806 170017456 /nfs/dbraw/zinc/01/74/56/170017456.db2.gz GOLAWFZXPUPVEV-UMSGYPCISA-N 2 0 210.365 1.962 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](C)OC)C[C@@H]1C ZINC000336673355 170019091 /nfs/dbraw/zinc/01/90/91/170019091.db2.gz KQHVNGLAHBKBSI-XQQFMLRXSA-N 2 0 228.380 1.826 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cn[nH]c2)[C@@H](C)C1 ZINC000353623249 170021105 /nfs/dbraw/zinc/02/11/05/170021105.db2.gz BAAKEGWFPHYEMX-AAEUAGOBSA-N 2 0 236.363 1.272 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C2CCC(O)CC2)[C@@H](C)C1 ZINC000305091762 170021205 /nfs/dbraw/zinc/02/12/05/170021205.db2.gz XXCKJDQECAIBHG-ABXWRUBCSA-N 2 0 240.391 1.610 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](OC)C2CC2)[C@@H](C)C1 ZINC000340492596 170021214 /nfs/dbraw/zinc/02/12/14/170021214.db2.gz RJNOZLQZJHMGHT-FPMFFAJLSA-N 2 0 240.391 1.731 20 0 BDADRP CC[N@H+]1C[C@H](N[C@@H](C)CC[NH+](C)C)[C@@H](C)C1 ZINC000309958780 170037341 /nfs/dbraw/zinc/03/73/41/170037341.db2.gz JYJUHKZTQMTMRO-AVGNSLFASA-N 2 0 227.396 1.256 20 0 BDADRP CC[NH+](CC)[C@@H](C)CN[C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000355334730 170038044 /nfs/dbraw/zinc/03/80/44/170038044.db2.gz SMCQOMYAUNVBJX-MELADBBJSA-N 2 0 241.423 1.647 20 0 BDADRP CC[NH2+]CC1CC[NH+](CCOC(C)C)CC1 ZINC000053659109 170111055 /nfs/dbraw/zinc/11/10/55/170111055.db2.gz YQNWLJSKEFMDGY-UHFFFAOYSA-N 2 0 228.380 1.733 20 0 BDADRP CC[NH2+]CC1CC[NH+]([C@H](C)COC)CC1 ZINC000069906449 170112037 /nfs/dbraw/zinc/11/20/37/170112037.db2.gz ARWOKKXREIWSNB-LLVKDONJSA-N 2 0 214.353 1.343 20 0 BDADRP CC[NH2+]CCNc1cc(C)nc(C(C)C)n1 ZINC000054267234 170116236 /nfs/dbraw/zinc/11/62/36/170116236.db2.gz ZBHHHEIKMLIMQD-UHFFFAOYSA-N 2 0 222.336 1.930 20 0 BDADRP C[C@H](C[NH2+][C@H]1CN(C)C[C@H]1C)c1ccccn1 ZINC000657533826 411544908 /nfs/dbraw/zinc/54/49/08/411544908.db2.gz DDIUNVYRKVMEMX-BZPMIXESSA-N 2 0 233.359 1.725 20 0 BDADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000358922139 170158044 /nfs/dbraw/zinc/15/80/44/170158044.db2.gz BIELALVDDAMIBV-NTZNESFSSA-N 2 0 241.379 1.008 20 0 BDADRP CCOC(=O)CC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000042394680 170205182 /nfs/dbraw/zinc/20/51/82/170205182.db2.gz BCTKDYPCFCEVFW-UHFFFAOYSA-N 2 0 242.363 1.213 20 0 BDADRP CCOC1CC([NH2+][C@H]2CCN3CCCC[C@H]23)C1 ZINC000124462167 170330435 /nfs/dbraw/zinc/33/04/35/170330435.db2.gz JZLDMBDUKQMWSO-CLRIEMFWSA-N 2 0 238.375 1.770 20 0 BDADRP CCOCCC[NH+]1CCC(CC[NH3+])CC1 ZINC000071519128 170372163 /nfs/dbraw/zinc/37/21/63/170372163.db2.gz RZVQDTNPNPDDHA-UHFFFAOYSA-N 2 0 214.353 1.474 20 0 BDADRP CCOCC[N@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000082666932 170396169 /nfs/dbraw/zinc/39/61/69/170396169.db2.gz HFYIATHHCSFUSI-LBPRGKRZSA-N 2 0 214.353 1.487 20 0 BDADRP Cn1cnc(CN2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000660416658 411582240 /nfs/dbraw/zinc/58/22/40/411582240.db2.gz VSULHXKANAMGOT-CYBMUJFWSA-N 2 0 236.363 1.336 20 0 BDADRP C([NH2+][C@@H]1CCOC1)C1CC[NH+](CC2CC2)CC1 ZINC000657812432 411603389 /nfs/dbraw/zinc/60/33/89/411603389.db2.gz BOSHNCBAUAHWDA-CQSZACIVSA-N 2 0 238.375 1.487 20 0 BDADRP FCC1(CF)CC([NH2+][C@H]2CCN(C3CC3)C2)C1 ZINC000657871332 411614272 /nfs/dbraw/zinc/61/42/72/411614272.db2.gz JSHIWAYNHNEMLX-JTQLQIEISA-N 2 0 244.329 1.901 20 0 BDADRP COCC[C@H](C)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660657162 411614485 /nfs/dbraw/zinc/61/44/85/411614485.db2.gz OCFFLGQCTSENAS-KBPBESRZSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@H](CO)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660665951 411615770 /nfs/dbraw/zinc/61/57/70/411615770.db2.gz ZZLZRAKPOPAFMK-STQMWFEESA-N 2 0 226.364 1.033 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CO)cc2)CC[N@@H+]1C ZINC000133121746 411621473 /nfs/dbraw/zinc/62/14/73/411621473.db2.gz GOZIUUAOASGQDA-DOMZBBRYSA-N 2 0 248.370 1.751 20 0 BDADRP C[N@@H+]1CCCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000663315847 411622972 /nfs/dbraw/zinc/62/29/72/411622972.db2.gz PDVLBCBPCVGMBL-UHFFFAOYSA-N 2 0 230.315 1.705 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+]C1CCSCC1 ZINC000663500127 411660614 /nfs/dbraw/zinc/66/06/14/411660614.db2.gz OZSXYJJLEXIRTM-LLVKDONJSA-N 2 0 216.394 1.845 20 0 BDADRP C(N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663494005 411673361 /nfs/dbraw/zinc/67/33/61/411673361.db2.gz GPSFGTBCKDMZQV-KBXIAJHMSA-N 2 0 249.402 1.060 20 0 BDADRP C[C@@H](CC1CCOCC1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663497552 411678480 /nfs/dbraw/zinc/67/84/80/411678480.db2.gz HGAVQIJCECJWPM-XGNXJENSSA-N 2 0 238.375 1.533 20 0 BDADRP CC(C)[C@H]1C[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)CCO1 ZINC000663497111 411678722 /nfs/dbraw/zinc/67/87/22/411678722.db2.gz BUWNUDUPQHBDSA-YIFLHPOLSA-N 2 0 238.375 1.532 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+]C1CCOCC1 ZINC000663498327 411680598 /nfs/dbraw/zinc/68/05/98/411680598.db2.gz APILVQAQFWUZSF-LLVKDONJSA-N 2 0 200.326 1.128 20 0 BDADRP CC(C)[C@H]([NH3+])CCNC1CC[NH+](C)CC1 ZINC000663498400 411680762 /nfs/dbraw/zinc/68/07/62/411680762.db2.gz BSLWKFGJOUWODX-GFCCVEGCSA-N 2 0 213.369 1.044 20 0 BDADRP CCCn1cc(C[NH2+]CC[C@@H]([NH3+])C(C)C)cn1 ZINC000663497970 411681332 /nfs/dbraw/zinc/68/13/32/411681332.db2.gz JCBXIZIVXWFVCQ-CYBMUJFWSA-N 2 0 238.379 1.756 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@@H]1CCC[NH2+]CC1 ZINC000663502732 411686319 /nfs/dbraw/zinc/68/63/19/411686319.db2.gz LIBFAXSMFIHWAF-VXGBXAGGSA-N 2 0 213.369 1.092 20 0 BDADRP CC1(C)Cc2n[nH]cc2C[N@@H+](CC2(C[NH3+])CC2)C1 ZINC000663508981 411690669 /nfs/dbraw/zinc/69/06/69/411690669.db2.gz IHBVHWWHXZDQFW-UHFFFAOYSA-N 2 0 248.374 1.533 20 0 BDADRP CCn1nccc1C[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000663514245 411695498 /nfs/dbraw/zinc/69/54/98/411695498.db2.gz POGAEZUSRVENGR-RYUDHWBXSA-N 2 0 236.363 1.381 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000661699679 411845370 /nfs/dbraw/zinc/84/53/70/411845370.db2.gz DSYTYWJEVIIYDR-KGLIPLIRSA-N 2 0 240.391 1.687 20 0 BDADRP Cc1cc(N(C)CC2C[NH+](C)C2)cc[nH+]1 ZINC000664329715 411923253 /nfs/dbraw/zinc/92/32/53/411923253.db2.gz IBPMZSVACNQICP-UHFFFAOYSA-N 2 0 205.305 1.388 20 0 BDADRP CC(C)CC1([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC000662066334 411968055 /nfs/dbraw/zinc/96/80/55/411968055.db2.gz JQQCRLGCZGKHOJ-CYBMUJFWSA-N 2 0 242.407 1.856 20 0 BDADRP O[C@@H]1CC[N@@H+](C2CC[NH+](CC3CCC3)CC2)C1 ZINC000662149049 412008631 /nfs/dbraw/zinc/00/86/31/412008631.db2.gz MUUWRTHHANIYQG-CQSZACIVSA-N 2 0 238.375 1.318 20 0 BDADRP CC(C)CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662154928 412009689 /nfs/dbraw/zinc/00/96/89/412009689.db2.gz HNUVFZRWPDOIBZ-AWEZNQCLSA-N 2 0 240.391 1.564 20 0 BDADRP C[C@H](CO)[C@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000662215028 412027553 /nfs/dbraw/zinc/02/75/53/412027553.db2.gz DSAQPNPWDIGGOC-TZMCWYRMSA-N 2 0 240.391 1.469 20 0 BDADRP CO[C@H](C[NH+]1CCC(C[NH3+])CC1)C1CCCC1 ZINC000662233278 412031754 /nfs/dbraw/zinc/03/17/54/412031754.db2.gz CVQNUVONBPFBBW-CQSZACIVSA-N 2 0 240.391 1.862 20 0 BDADRP C[N@H+](CCO[C@@H]1CC1(F)F)C1CC[NH2+]CC1 ZINC000662238458 412033630 /nfs/dbraw/zinc/03/36/30/412033630.db2.gz QBTRLHNPBHZBBZ-SNVBAGLBSA-N 2 0 234.290 1.094 20 0 BDADRP C[N@H+](C[C@@H]1C[C@H]2C[C@H]2C1)C1CC[NH2+]CC1 ZINC000662237314 412035742 /nfs/dbraw/zinc/03/57/42/412035742.db2.gz HYZCQHSEOLYEON-ZSBIGDGJSA-N 2 0 208.349 1.716 20 0 BDADRP C[NH2+]C1CC[NH+](C[C@H](OC)C2CCC2)CC1 ZINC000662243715 412039351 /nfs/dbraw/zinc/03/93/51/412039351.db2.gz JIMSCMMDGRSVOU-ZDUSSCGKSA-N 2 0 226.364 1.485 20 0 BDADRP CCc1nocc1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000662246837 412042608 /nfs/dbraw/zinc/04/26/08/412042608.db2.gz SYHAPRWKEMIOBQ-JTQLQIEISA-N 2 0 237.347 1.796 20 0 BDADRP CC[C@@H](CC(F)F)C[N@H+](C)CCC[NH3+] ZINC000662247423 412044957 /nfs/dbraw/zinc/04/49/57/412044957.db2.gz XWTYBCQZYNGPLJ-VIFPVBQESA-N 2 0 208.296 1.948 20 0 BDADRP CO[C@@H](C[NH2+][C@](C)(C[NH3+])C(C)C)C1CCC1 ZINC000662250143 412046077 /nfs/dbraw/zinc/04/60/77/412046077.db2.gz YZZMLUBJQIQLIG-QWHCGFSZSA-N 2 0 228.380 1.765 20 0 BDADRP CC(C)C[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248633 412046407 /nfs/dbraw/zinc/04/64/07/412046407.db2.gz IGPWQKUZEFPENI-NSHDSACASA-N 2 0 212.337 1.095 20 0 BDADRP CC[C@@H]1CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662252872 412048955 /nfs/dbraw/zinc/04/89/55/412048955.db2.gz QTIWYRXRCXMLDM-CHWSQXEVSA-N 2 0 238.375 1.629 20 0 BDADRP CC[N@H+](CC(C)C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662253968 412049158 /nfs/dbraw/zinc/04/91/58/412049158.db2.gz ZZGPSFVEARKXBE-GFCCVEGCSA-N 2 0 226.364 1.485 20 0 BDADRP CO[C@H](C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C)C1CCCC1 ZINC000662266428 412058158 /nfs/dbraw/zinc/05/81/58/412058158.db2.gz YZCZLOVVKCDGMO-MBNYWOFBSA-N 2 0 240.391 1.861 20 0 BDADRP CC[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H]([NH3+])C2)CCO1 ZINC000346083262 171120643 /nfs/dbraw/zinc/12/06/43/171120643.db2.gz QSUKYNCTVXFONZ-RWMBFGLXSA-N 2 0 226.364 1.615 20 0 BDADRP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000662276255 412068634 /nfs/dbraw/zinc/06/86/34/412068634.db2.gz IAIVDJAZCQJVGX-OFTGVCEQSA-N 2 0 208.349 1.844 20 0 BDADRP CC[C@H](C(=O)N1CCC[C@H]1C[NH3+])[NH+](CC)CC ZINC000359431080 171223916 /nfs/dbraw/zinc/22/39/16/171223916.db2.gz TYKLYHCNUSWQNN-NWDGAFQWSA-N 2 0 241.379 1.057 20 0 BDADRP CO[C@H](C[NH+]1CCC(CC[NH3+])CC1)C1CCC1 ZINC000662282947 412074729 /nfs/dbraw/zinc/07/47/29/412074729.db2.gz FDWYNMMGLLOJNJ-CQSZACIVSA-N 2 0 240.391 1.862 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C)C1CCC1 ZINC000662284609 412075539 /nfs/dbraw/zinc/07/55/39/412075539.db2.gz NTTILEGLYQYGFU-KGYLQXTDSA-N 2 0 226.364 1.613 20 0 BDADRP CC(C)(CC[NH2+]C1(CO)CC[NH2+]CC1)C1CC1 ZINC000662283659 412075771 /nfs/dbraw/zinc/07/57/71/412075771.db2.gz IMMJTBYDCICYHE-UHFFFAOYSA-N 2 0 240.391 1.517 20 0 BDADRP CC[C@H](C)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000304631518 171281489 /nfs/dbraw/zinc/28/14/89/171281489.db2.gz VNLNKVRYLZYWCN-QWHCGFSZSA-N 2 0 225.380 1.012 20 0 BDADRP OCC[C@@H]1CCCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000662299427 412085639 /nfs/dbraw/zinc/08/56/39/412085639.db2.gz PNVFHRKASWUYNT-KBPBESRZSA-N 2 0 240.391 1.613 20 0 BDADRP CC[C@H](C)[NH2+]C[C@@H]1CCC[C@H]1N1CCOCC1 ZINC000363786607 171341140 /nfs/dbraw/zinc/34/11/40/171341140.db2.gz VDYWZVOZVSEDBW-MELADBBJSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@H](C)[N@H+](CC)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662290193 412080014 /nfs/dbraw/zinc/08/00/14/412080014.db2.gz MSBCVIWVCLKBIG-RYUDHWBXSA-N 2 0 226.364 1.628 20 0 BDADRP CC[C@H](C)[C@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000020128538 171389137 /nfs/dbraw/zinc/38/91/37/171389137.db2.gz PVOQTUXBRLQJAV-KBPBESRZSA-N 2 0 241.423 1.648 20 0 BDADRP [NH3+]CCOCC[NH+]1CCC(c2ccco2)CC1 ZINC000662299370 412086884 /nfs/dbraw/zinc/08/68/84/412086884.db2.gz ZDGMQOUTRVRMOI-UHFFFAOYSA-N 2 0 238.331 1.434 20 0 BDADRP C[C@H](CO)[C@H]1CCCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000662300957 412087077 /nfs/dbraw/zinc/08/70/77/412087077.db2.gz NVYYFJVLHNNLAM-JHJVBQTASA-N 2 0 226.364 1.079 20 0 BDADRP [NH3+]CC12CC(C1)CN2CCc1cccnc1 ZINC000662304384 412088606 /nfs/dbraw/zinc/08/86/06/412088606.db2.gz QDFLFSVRBOGGHG-UHFFFAOYSA-N 2 0 217.316 1.047 20 0 BDADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@H](CCF)C1 ZINC000662311470 412094386 /nfs/dbraw/zinc/09/43/86/412094386.db2.gz SMMSYMSJMQZJDH-NEPJUHHUSA-N 2 0 232.343 1.028 20 0 BDADRP CO[C@H](C)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662326187 412101995 /nfs/dbraw/zinc/10/19/95/412101995.db2.gz VZYBSNAFIGHQOZ-OLZOCXBDSA-N 2 0 244.379 1.064 20 0 BDADRP C[N@H+](CCC[NH3+])C[C@@H]1CCc2ccccc21 ZINC000662324389 412102877 /nfs/dbraw/zinc/10/28/77/412102877.db2.gz WWILKFKFBRJNOB-ZDUSSCGKSA-N 2 0 218.344 1.997 20 0 BDADRP CC12CC(C1)C[N@@H+]2CC[C@@H]1CCC[NH2+]C1 ZINC000662337035 412106952 /nfs/dbraw/zinc/10/69/52/412106952.db2.gz ILLKDFMGNBTKAY-HIFPTAJRSA-N 2 0 208.349 1.860 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000665236630 412177314 /nfs/dbraw/zinc/17/73/14/412177314.db2.gz QXFRTRHUONGNBT-FRRDWIJNSA-N 2 0 239.407 1.447 20 0 BDADRP C[C@H]([NH2+]CC1([NH3+])CCCC1)[C@@H]1CCCOC1 ZINC000665247715 412177697 /nfs/dbraw/zinc/17/76/97/412177697.db2.gz IRSODMCOVWUMKT-NWDGAFQWSA-N 2 0 226.364 1.663 20 0 BDADRP Cc1ccncc1CC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000665239618 412179751 /nfs/dbraw/zinc/17/97/51/412179751.db2.gz WAABFBOXAZDVAD-OCCSQVGLSA-N 2 0 233.359 1.650 20 0 BDADRP OC/C=C/C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000665239023 412181233 /nfs/dbraw/zinc/18/12/33/412181233.db2.gz KGXHCKJDFAUYIR-FOSLFWNOSA-N 2 0 238.375 1.435 20 0 BDADRP CC[C@H]([NH3+])C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000037019533 171483992 /nfs/dbraw/zinc/48/39/92/171483992.db2.gz QSWUTFSCUWSIDE-LBPRGKRZSA-N 2 0 235.331 1.424 20 0 BDADRP C[C@@H](NCC1([NH3+])CCCC1)[C@H]1CCCC[NH2+]1 ZINC000665246576 412190528 /nfs/dbraw/zinc/19/05/28/412190528.db2.gz JBOZLOCRVFUOLP-VXGBXAGGSA-N 2 0 225.380 1.378 20 0 BDADRP [NH3+][C@@H]1C[C@H](NCC2([NH3+])CCCC2)c2ccccc21 ZINC000665246707 412191591 /nfs/dbraw/zinc/19/15/91/412191591.db2.gz LZLXIZMPUIGIBJ-KGLIPLIRSA-N 2 0 245.370 1.992 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1NCC1([NH3+])CCCC1 ZINC000665247028 412191675 /nfs/dbraw/zinc/19/16/75/412191675.db2.gz UGXFBWZMQIPCAI-NEPJUHHUSA-N 2 0 225.380 1.236 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NCC1([NH3+])CCCC1 ZINC000665249599 412195745 /nfs/dbraw/zinc/19/57/45/412195745.db2.gz UEVOTDXOURIQAR-DGCLKSJQSA-N 2 0 237.391 1.330 20 0 BDADRP CC1(C)[C@H](C[NH2+][C@H]2CCC[C@@H]2C[NH3+])C1(F)F ZINC000665273727 412215174 /nfs/dbraw/zinc/21/51/74/412215174.db2.gz CIWHBNXUOWHSDZ-UTLUCORTSA-N 2 0 232.318 1.995 20 0 BDADRP C[C@H](CC[NH3+])NC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662552894 412215231 /nfs/dbraw/zinc/21/52/31/412215231.db2.gz UZORQYZPQKSTQM-MFKMUULPSA-N 2 0 247.342 1.075 20 0 BDADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCc1ccoc1 ZINC000665261520 412203693 /nfs/dbraw/zinc/20/36/93/412203693.db2.gz FIEYRJOWWFEXFY-UHTWSYAYSA-N 2 0 238.331 1.164 20 0 BDADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCc1ccoc1 ZINC000665261518 412204067 /nfs/dbraw/zinc/20/40/67/412204067.db2.gz FIEYRJOWWFEXFY-CYZMBNFOSA-N 2 0 238.331 1.164 20 0 BDADRP CCC[N@@H+]1CC[C@@H](N[C@H](CC)[C@@H]2CCC[NH2+]2)C1 ZINC000665273863 412215416 /nfs/dbraw/zinc/21/54/16/412215416.db2.gz FVMIYVUEDBIGAR-MCIONIFRSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])O1 ZINC000665265112 412209021 /nfs/dbraw/zinc/20/90/21/412209021.db2.gz PQJSCCIVXHPZQT-FDYHWXHSSA-N 2 0 226.364 1.661 20 0 BDADRP COC1CC(CC[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000665230001 412167617 /nfs/dbraw/zinc/16/76/17/412167617.db2.gz HIAUORZUBYUDAK-GFJIZPEISA-N 2 0 240.391 1.922 20 0 BDADRP COC1CC(CC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000665229947 412168827 /nfs/dbraw/zinc/16/88/27/412168827.db2.gz GUNIXHBYHXBVEY-GNRIBBGQSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](CO)C1CCC1 ZINC000665235278 412173497 /nfs/dbraw/zinc/17/34/97/412173497.db2.gz SXTYEJYSVSMHQM-JQWIXIFHSA-N 2 0 214.353 1.255 20 0 BDADRP OC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CCC1 ZINC000665234662 412174812 /nfs/dbraw/zinc/17/48/12/412174812.db2.gz IJGAXOVFKXMPDL-RQJABVFESA-N 2 0 238.375 1.125 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@@H](CO)C2CCC2)CC1 ZINC000665234641 412174864 /nfs/dbraw/zinc/17/48/64/412174864.db2.gz HRTFBBRVZCCREM-GDKBPFBDSA-N 2 0 226.364 1.255 20 0 BDADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@H](C(C)C)[C@H](C)[NH3+] ZINC000662730705 412287103 /nfs/dbraw/zinc/28/71/03/412287103.db2.gz NCNYYFDMJBRDOP-QJPTWQEYSA-N 2 0 243.395 1.095 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000665274379 412217870 /nfs/dbraw/zinc/21/78/70/412217870.db2.gz PAEQJILZUDEYCT-AGIUHOORSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)C1CCSCC1 ZINC000665278698 412221939 /nfs/dbraw/zinc/22/19/39/412221939.db2.gz MRWOCBPCCOUPIJ-XSRFYTQQSA-N 2 0 240.416 1.860 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000665280514 412224908 /nfs/dbraw/zinc/22/49/08/412224908.db2.gz DXIAUCAKZSPSQL-IJLUTSLNSA-N 2 0 214.353 1.517 20 0 BDADRP CC[C@H]([NH2+]C)C(=O)NCCC[N@H+](C)CC(C)C ZINC000662580260 412227782 /nfs/dbraw/zinc/22/77/82/412227782.db2.gz FQOIVMGWDZPGLC-LBPRGKRZSA-N 2 0 243.395 1.079 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCCc1ccco1 ZINC000665283766 412229271 /nfs/dbraw/zinc/22/92/71/412229271.db2.gz UNKVBYCOXUTSLZ-WDEREUQCSA-N 2 0 210.321 1.928 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCOCCF ZINC000665299412 412247912 /nfs/dbraw/zinc/24/79/12/412247912.db2.gz MQUGZFPLDCYKMO-GHMZBOCLSA-N 2 0 218.316 1.222 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCOCCF ZINC000665299856 412248126 /nfs/dbraw/zinc/24/81/26/412248126.db2.gz ULJVDSFEWZEOMJ-SNVBAGLBSA-N 2 0 206.305 1.080 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCOCCF ZINC000665299413 412248457 /nfs/dbraw/zinc/24/84/57/412248457.db2.gz MQUGZFPLDCYKMO-MNOVXSKESA-N 2 0 218.316 1.222 20 0 BDADRP CC[C@H]1CC[C@H](C)[N@@H+]1CCOCC[NH3+] ZINC000136250630 171647097 /nfs/dbraw/zinc/64/70/97/171647097.db2.gz NCTYCWHIQAYBIX-QWRGUYRKSA-N 2 0 200.326 1.225 20 0 BDADRP C[C@@H](CCNC(=O)c1ccc(C[NH3+])cc1)[NH+](C)C ZINC000662634822 412250934 /nfs/dbraw/zinc/25/09/34/412250934.db2.gz SKQBZJBOFXCLBI-NSHDSACASA-N 2 0 249.358 1.215 20 0 BDADRP CC[C@@H](C(=O)N(C)CC(C)(C)[NH3+])[NH+](CC)CC ZINC000662845098 412319667 /nfs/dbraw/zinc/31/96/67/412319667.db2.gz KHWRXSKMYAIILI-NSHDSACASA-N 2 0 243.395 1.303 20 0 BDADRP CC[C@@H]([NH2+]C)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000662782300 412300653 /nfs/dbraw/zinc/30/06/53/412300653.db2.gz IYQAMSAPHCIHMV-GFCCVEGCSA-N 2 0 235.331 1.343 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C(=O)N[C@@]2(C)CC[NH2+]C2)cc1 ZINC000663013117 412370723 /nfs/dbraw/zinc/37/07/23/412370723.db2.gz JJUNBHPROHSONF-YGRLFVJLSA-N 2 0 247.342 1.188 20 0 BDADRP C[C@H]1C[C@H](NC(=O)CCC(C)(C)[NH3+])CC[N@@H+]1C ZINC000132946843 412373533 /nfs/dbraw/zinc/37/35/33/412373533.db2.gz COXPFZLUEBXOID-WDEREUQCSA-N 2 0 241.379 1.103 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(CO)cc1 ZINC000133056075 412393377 /nfs/dbraw/zinc/39/33/77/412393377.db2.gz NNGJQSWLGUNFHF-GFCCVEGCSA-N 2 0 236.359 1.609 20 0 BDADRP CCn1nccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000335270188 172269264 /nfs/dbraw/zinc/26/92/64/172269264.db2.gz PTYCRXZEWFHDLU-BETUJISGSA-N 2 0 248.374 1.334 20 0 BDADRP CCn1nccc1CNC[C@H](C)C[NH+](C)C ZINC000291743866 172270352 /nfs/dbraw/zinc/27/03/52/172270352.db2.gz PFZVXGSOQKLOSG-NSHDSACASA-N 2 0 224.352 1.190 20 0 BDADRP C[NH+](C)Cc1cccc(NC(=O)[C@@H]2CC[NH2+]C2)c1 ZINC000062113541 172503140 /nfs/dbraw/zinc/50/31/40/172503140.db2.gz VPSZJUSUQTZCIY-GFCCVEGCSA-N 2 0 247.342 1.296 20 0 BDADRP C[NH+](C)[C@@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000250348776 172524819 /nfs/dbraw/zinc/52/48/19/172524819.db2.gz IFETWKKVSHLNPB-QWHCGFSZSA-N 2 0 225.380 1.012 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@H]2CCCOC2)CC1 ZINC000069606461 172986350 /nfs/dbraw/zinc/98/63/50/172986350.db2.gz YRUOLTOYKGFCPG-GFCCVEGCSA-N 2 0 212.337 1.097 20 0 BDADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CC3CC3)C2)C1 ZINC000336323139 173039249 /nfs/dbraw/zinc/03/92/49/173039249.db2.gz PBRVFBYULUMNSO-CYBMUJFWSA-N 2 0 208.349 1.814 20 0 BDADRP C[NH+]1CCN(CCC[NH2+]Cc2ccccc2)CC1 ZINC000020128477 173078422 /nfs/dbraw/zinc/07/84/22/173078422.db2.gz DUITZJHYVNIJTR-UHFFFAOYSA-N 2 0 247.386 1.414 20 0 BDADRP C[N@@H+]1CC[C@H](N2C[C@H](CC[NH3+])c3ccccc32)C1 ZINC000063127441 173150010 /nfs/dbraw/zinc/15/00/10/173150010.db2.gz ZAHMWZPUIBAAFL-STQMWFEESA-N 2 0 245.370 1.643 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CCC(C)(C)O)[C@H]2CCC[C@@H]21 ZINC000368610815 173151664 /nfs/dbraw/zinc/15/16/64/173151664.db2.gz BCXLDEHXOPVXJH-AGIUHOORSA-N 2 0 240.391 1.610 20 0 BDADRP C[NH2+]CC(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000237278460 173332687 /nfs/dbraw/zinc/33/26/87/173332687.db2.gz GOEZZRGSVRHTBL-UHFFFAOYSA-N 2 0 235.331 1.215 20 0 BDADRP C[NH2+]CCN(C)[C@H](C)c1cccc(OC)c1 ZINC000069800673 173353531 /nfs/dbraw/zinc/35/35/31/173353531.db2.gz BMRXPAMHFSOQFM-LLVKDONJSA-N 2 0 222.332 1.907 20 0 BDADRP C[NH2+]C[C@@H]1CCCN1C[C@@H]1CCCCO1 ZINC000042390488 173369047 /nfs/dbraw/zinc/36/90/47/173369047.db2.gz RWXAWFYEBNPVTI-RYUDHWBXSA-N 2 0 212.337 1.239 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@@H+]1CC1CCOCC1 ZINC000052173150 173379868 /nfs/dbraw/zinc/37/98/68/173379868.db2.gz XCWKCOMLVYPUNG-GFCCVEGCSA-N 2 0 212.337 1.097 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](CCOc2ccccc2)C1 ZINC000053033262 173382327 /nfs/dbraw/zinc/38/23/27/173382327.db2.gz WRNJTKVGSAXZQQ-CYBMUJFWSA-N 2 0 234.343 1.607 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)[C@H](C)[C@@H](C)[NH3+])c1 ZINC000296571629 173389676 /nfs/dbraw/zinc/38/96/76/173389676.db2.gz VZRQHVJHLCBFIG-NXEZZACHSA-N 2 0 235.331 1.328 20 0 BDADRP CCCN1CC[C@@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000328187223 487628022 /nfs/dbraw/zinc/62/80/22/487628022.db2.gz OJFDQIZCGWTIQU-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP COC1(C[NH2+]CCCC[NH+](C)C)CCCC1 ZINC000336753168 174001112 /nfs/dbraw/zinc/00/11/12/174001112.db2.gz DVPCSWMHLREYHQ-UHFFFAOYSA-N 2 0 228.380 1.877 20 0 BDADRP COC1CC([NH2+]C2CC([NH+]3CCCCC3)C2)C1 ZINC000355580448 174017710 /nfs/dbraw/zinc/01/77/10/174017710.db2.gz IDJDZDBFWOKNAA-UHFFFAOYSA-N 2 0 238.375 1.770 20 0 BDADRP COC1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000037266413 174027674 /nfs/dbraw/zinc/02/76/74/174027674.db2.gz OTCSAXAVFNQZTP-UHFFFAOYSA-N 2 0 226.364 1.487 20 0 BDADRP COCCC1(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000358307334 174155592 /nfs/dbraw/zinc/15/55/92/174155592.db2.gz VIOAAUAVDCSPGD-QWHCGFSZSA-N 2 0 240.391 1.733 20 0 BDADRP COCCC1(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000234893577 174156164 /nfs/dbraw/zinc/15/61/64/174156164.db2.gz PQXAZYAFSFPBTG-NEPJUHHUSA-N 2 0 226.364 1.520 20 0 BDADRP COCCC1(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000358307332 174156533 /nfs/dbraw/zinc/15/65/33/174156533.db2.gz VIOAAUAVDCSPGD-CHWSQXEVSA-N 2 0 240.391 1.733 20 0 BDADRP COCCCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000308803257 174195026 /nfs/dbraw/zinc/19/50/26/174195026.db2.gz ACJQSOBMDHXOIT-VXGBXAGGSA-N 2 0 212.337 1.097 20 0 BDADRP COCC[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123274495 174305567 /nfs/dbraw/zinc/30/55/67/174305567.db2.gz QXBUBFDEXZIESS-UHFFFAOYSA-N 2 0 228.380 1.687 20 0 BDADRP COCC[C@@H](C)[NH2+][C@H](C)CN(C)C(C)C ZINC000309131726 174385660 /nfs/dbraw/zinc/38/56/60/174385660.db2.gz XZCKIJQJHBHZAQ-VXGBXAGGSA-N 2 0 216.369 1.730 20 0 BDADRP COc1cccc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000049713121 175260633 /nfs/dbraw/zinc/26/06/33/175260633.db2.gz VWCBZWSJGSRPBH-RISCZKNCSA-N 2 0 234.343 1.864 20 0 BDADRP COc1cccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)c1 ZINC000234979298 175260733 /nfs/dbraw/zinc/26/07/33/175260733.db2.gz ZRNUAYCBMQVHPZ-AWEZNQCLSA-N 2 0 234.343 1.866 20 0 BDADRP COc1ccccc1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000234875442 175327753 /nfs/dbraw/zinc/32/77/53/175327753.db2.gz KIQGNDWYSZNMKI-CQSZACIVSA-N 2 0 234.343 1.866 20 0 BDADRP C[C@@H](c1ccccc1)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313383724 176021694 /nfs/dbraw/zinc/02/16/94/176021694.db2.gz JKRVEHOBUXUYHI-JSGCOSHPSA-N 2 0 234.343 1.797 20 0 BDADRP C[C@@H]1CCC[C@H]([NH2+]C[C@H](O)CN(C)C)C1 ZINC000037886726 176144396 /nfs/dbraw/zinc/14/43/96/176144396.db2.gz JDCXRYZXFFMYSI-WOPDTQHZSA-N 2 0 214.353 1.077 20 0 BDADRP C[C@@H]1CC[N@H+](C)CCN1C[C@H]1CCC[NH2+]C1 ZINC000336363472 176167360 /nfs/dbraw/zinc/16/73/60/176167360.db2.gz DULVOPPJNQKNIZ-OLZOCXBDSA-N 2 0 225.380 1.012 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CCCCCC[NH3+] ZINC000186661637 176185318 /nfs/dbraw/zinc/18/53/18/176185318.db2.gz WNTKPMVNIKVFEH-NEPJUHHUSA-N 2 0 241.379 1.010 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000305118724 176268628 /nfs/dbraw/zinc/26/86/28/176268628.db2.gz GIQLZURUDCBUDA-RQJABVFESA-N 2 0 240.391 1.467 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H]1CC1(C)C ZINC000336773081 176270335 /nfs/dbraw/zinc/27/03/35/176270335.db2.gz YQJYYXSRQUDIQT-GRYCIOLGSA-N 2 0 210.365 1.962 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCC1CCOCC1 ZINC000310581814 176270706 /nfs/dbraw/zinc/27/07/06/176270706.db2.gz RJFSBSJZYGWUBI-TZMCWYRMSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCC1(O)CCC1 ZINC000336677010 176270887 /nfs/dbraw/zinc/27/08/87/176270887.db2.gz BICKYZBRCVMHID-VXGBXAGGSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC000356911276 176271091 /nfs/dbraw/zinc/27/10/91/176271091.db2.gz IRILDYYTWSEIKM-HZSPNIEDSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCNc1ccccn1 ZINC000361881821 176271508 /nfs/dbraw/zinc/27/15/08/176271508.db2.gz WXZISAPZROZEBG-CHWSQXEVSA-N 2 0 248.374 1.423 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](CO)C1CC1 ZINC000353484276 176279888 /nfs/dbraw/zinc/27/98/88/176279888.db2.gz JGKVKPHUXWZPFG-HBJVGIJOSA-N 2 0 240.391 1.323 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000305855741 176341819 /nfs/dbraw/zinc/34/18/19/176341819.db2.gz BMZSLFVOERXFKK-SYQHCUMBSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H]1CCOC[C@H]1C ZINC000354499107 176342199 /nfs/dbraw/zinc/34/21/99/176342199.db2.gz KKALYLGEXXRTDV-XCCSTKFXSA-N 2 0 238.375 1.484 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCCN(C)[C@H]1C ZINC000309768868 176342426 /nfs/dbraw/zinc/34/24/26/176342426.db2.gz KBYQSQRAIQWYPB-VOAKCMCISA-N 2 0 226.364 1.484 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC[C@@H]1CCCO1 ZINC000126915438 176367821 /nfs/dbraw/zinc/36/78/21/176367821.db2.gz BXRHWIHVIRVCFW-WOPDTQHZSA-N 2 0 212.337 1.225 20 0 BDADRP C[C@@H]1C[C@@H](CN(C)CC(F)F)CC[NH2+]1 ZINC000235381300 176368157 /nfs/dbraw/zinc/36/81/57/176368157.db2.gz VOLCQVVXEGPOPV-BDAKNGLRSA-N 2 0 206.280 1.571 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCOc1ccccc1 ZINC000132407086 176368177 /nfs/dbraw/zinc/36/81/77/176368177.db2.gz QSOBLXHFWHDKKA-OLZOCXBDSA-N 2 0 234.343 1.735 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+]C[C@@H]2CCCCO2)CC[NH2+]1 ZINC000235389043 176370332 /nfs/dbraw/zinc/37/03/32/176370332.db2.gz VAUMYMISDRSWQE-AGIUHOORSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]1C[C@@H]([N@H+](C)CCCCO)CCN1C ZINC000304277522 176371550 /nfs/dbraw/zinc/37/15/50/176371550.db2.gz GHWPWPJTANDPRM-NEPJUHHUSA-N 2 0 214.353 1.173 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCN2CC=CCC2)CC[N@@H+]1C ZINC000359037479 176375634 /nfs/dbraw/zinc/37/56/34/176375634.db2.gz QWEHEYYZKXVQCU-KGLIPLIRSA-N 2 0 237.391 1.321 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCOC2)CC[N@@H+]1C ZINC000336728129 176376520 /nfs/dbraw/zinc/37/65/20/176376520.db2.gz CIUYYDMVPBTAFL-AGIUHOORSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccs2)CC[NH2+]1 ZINC000334865353 176377287 /nfs/dbraw/zinc/37/72/87/176377287.db2.gz STOZXRAPMPTEPT-ZJUUUORDSA-N 2 0 210.346 1.978 20 0 BDADRP C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CCOCC[NH3+] ZINC000357068167 176449342 /nfs/dbraw/zinc/44/93/42/176449342.db2.gz DKMIEJZDGVGLDH-JHJVBQTASA-N 2 0 226.364 1.615 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc(C[NH3+])cc1 ZINC000193590569 176458678 /nfs/dbraw/zinc/45/86/78/176458678.db2.gz ROCKTUDGNJNOFU-GWCFXTLKSA-N 2 0 247.342 1.016 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000331961685 176458723 /nfs/dbraw/zinc/45/87/23/176458723.db2.gz IMCSJODSFKIVSO-OADPDTJPSA-N 2 0 245.370 1.861 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCSC1 ZINC000336642988 176619439 /nfs/dbraw/zinc/61/94/39/176619439.db2.gz DSQADEUGLWSJCQ-ZJUUUORDSA-N 2 0 202.367 1.599 20 0 BDADRP C[C@H]([NH2+]CCCC[NH3+])c1ccc2c(c1)OCO2 ZINC000037714857 176842943 /nfs/dbraw/zinc/84/29/43/176842943.db2.gz HVGNJZYQBKLJFP-JTQLQIEISA-N 2 0 236.315 1.805 20 0 BDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H](C)O ZINC000251271333 176990782 /nfs/dbraw/zinc/99/07/82/176990782.db2.gz XOSLWBJEDOSSKX-GRYCIOLGSA-N 2 0 214.353 1.268 20 0 BDADRP C[C@H](c1ccccn1)[NH+]1CCC(C[NH3+])CC1 ZINC000044512021 177043594 /nfs/dbraw/zinc/04/35/94/177043594.db2.gz MGZIJCKKVCJBKB-LLVKDONJSA-N 2 0 219.332 1.813 20 0 BDADRP C[C@H](c1ccncc1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000035693509 177050905 /nfs/dbraw/zinc/05/09/05/177050905.db2.gz VHAOIEBUEBQWHF-GHMZBOCLSA-N 2 0 205.305 1.423 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCn1cccn1 ZINC000359658689 177234614 /nfs/dbraw/zinc/23/46/14/177234614.db2.gz FBJAMFOJVQVQHN-QWHCGFSZSA-N 2 0 236.363 1.203 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCN1CC=CCC1 ZINC000359075422 177234795 /nfs/dbraw/zinc/23/47/95/177234795.db2.gz ZIBLBICMTMDSFS-UONOGXRCSA-N 2 0 237.391 1.178 20 0 BDADRP C[C@H]1C[N@H+](CC2CC[NH2+]CC2)CC(C)(C)O1 ZINC000045693920 177246539 /nfs/dbraw/zinc/24/65/39/177246539.db2.gz INSFGNFDGDEPKB-NSHDSACASA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccc2c1NCC2 ZINC000336225314 177324465 /nfs/dbraw/zinc/32/44/65/177324465.db2.gz ICOAEKLRCQPGON-RYUDHWBXSA-N 2 0 245.370 1.824 20 0 BDADRP C[C@H]1C[C@@H]([N@H+](C)Cc2ccn(C)c2)CCN1C ZINC000093644200 177327587 /nfs/dbraw/zinc/32/75/87/177327587.db2.gz CRKBSLYNJBDLCU-JSGCOSHPSA-N 2 0 235.375 1.940 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1CCOCC1 ZINC000111155340 177331310 /nfs/dbraw/zinc/33/13/10/177331310.db2.gz YVAVALSXUFZZIM-MBNYWOFBSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@H](C[NH2+][C@H]1CCO[C@@H](C)C1)C[NH+](C)C ZINC000336714750 177332293 /nfs/dbraw/zinc/33/22/93/177332293.db2.gz WEBKYTOZJAVIGZ-WOPDTQHZSA-N 2 0 214.353 1.341 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)c2nccn21 ZINC000335953522 177368814 /nfs/dbraw/zinc/36/88/14/177368814.db2.gz BMIYTZQFCJAVIT-AAEUAGOBSA-N 2 0 248.374 1.820 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCC2(O)CCC2)CN1C1CC1 ZINC000341334627 177369241 /nfs/dbraw/zinc/36/92/41/177369241.db2.gz KPCALXDZSHMNBH-RYUDHWBXSA-N 2 0 238.375 1.506 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCc2cnccn2)CC[N@@H+]1C ZINC000341883022 177370631 /nfs/dbraw/zinc/37/06/31/177370631.db2.gz TZKJPRVMKUMOMR-NWDGAFQWSA-N 2 0 234.347 1.091 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCSCCCO)CC[N@@H+]1C ZINC000151180227 177370738 /nfs/dbraw/zinc/37/07/38/177370738.db2.gz ZDAVWRCUUHIYIW-NWDGAFQWSA-N 2 0 246.420 1.174 20 0 BDADRP C[C@H]1OCC[C@@H]1[NH2+]CCC1CC[NH+](C)CC1 ZINC000121005225 177402402 /nfs/dbraw/zinc/40/24/02/177402402.db2.gz JRVZZUKGVHNUEP-YPMHNXCESA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000082474958 487639089 /nfs/dbraw/zinc/63/90/89/487639089.db2.gz MEPYTLAKOFRHQH-WCQYABFASA-N 2 0 226.364 1.615 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H](CO)CC2CC2)CC1 ZINC000678775003 487641651 /nfs/dbraw/zinc/64/16/51/487641651.db2.gz WQHPCARFWGUQRL-CQSZACIVSA-N 2 0 240.391 1.611 20 0 BDADRP COCCOCCCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400719008 224857684 /nfs/dbraw/zinc/85/76/84/224857684.db2.gz NXTLYLUERSLOBU-OLZOCXBDSA-N 2 0 244.379 1.160 20 0 BDADRP COCCC[NH+]1CCC([NH2+]C[C@@H]2C[C@H]2C)CC1 ZINC000488440322 225398438 /nfs/dbraw/zinc/39/84/38/225398438.db2.gz PWBRGAXZZHAIGV-OLZOCXBDSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H](CCCC[NH3+])NC(=O)C1([NH3+])CCCCC1 ZINC000495172092 226277631 /nfs/dbraw/zinc/27/76/31/226277631.db2.gz YQCLRXRJIGHQDF-LLVKDONJSA-N 2 0 241.379 1.282 20 0 BDADRP C[C@@H]([NH2+]CCCC[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000400360838 226341562 /nfs/dbraw/zinc/34/15/62/226341562.db2.gz DARINEFCCJOTEL-NEPJUHHUSA-N 3 0 213.369 1.058 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCCOC1)[C@@H]1CCC[NH2+]1 ZINC000400500455 226344889 /nfs/dbraw/zinc/34/48/89/226344889.db2.gz FTCKCYZVRBQGLB-TUAOUCFPSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H]([NH2+]CCC[C@H]1CCOC1)[C@H]1CCC[NH2+]1 ZINC000402174320 226366473 /nfs/dbraw/zinc/36/64/73/226366473.db2.gz XPRADVCYWJSPAB-RWMBFGLXSA-N 2 0 226.364 1.533 20 0 BDADRP CC(C)[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000383756121 487670811 /nfs/dbraw/zinc/67/08/11/487670811.db2.gz KPTIDDAUEIVKHL-KGLIPLIRSA-N 2 0 242.407 1.665 20 0 BDADRP Cc1cc(C)cc(OCCN(C)[C@H]2CC[NH2+]C2)c1 ZINC000071311484 487671195 /nfs/dbraw/zinc/67/11/95/487671195.db2.gz HBKCJRLJVIEUHS-AWEZNQCLSA-N 2 0 248.370 1.976 20 0 BDADRP CC[NH+](CC)CCCN[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000401706986 487682738 /nfs/dbraw/zinc/68/27/38/487682738.db2.gz FJSPHDCGSTWPIY-STQMWFEESA-N 2 0 227.396 1.306 20 0 BDADRP C[C@H](c1ccncc1)N1CCCO[C@H](C[NH3+])C1 ZINC000313349744 487684690 /nfs/dbraw/zinc/68/46/90/487684690.db2.gz IWNHWTCSBALAAY-DGCLKSJQSA-N 2 0 235.331 1.192 20 0 BDADRP CC(C)[C@H](C(=O)NCCCC[NH+](C)C)[C@@H](C)[NH3+] ZINC000399449205 262783423 /nfs/dbraw/zinc/78/34/23/262783423.db2.gz ODNPOCSKNVYHNE-NEPJUHHUSA-N 2 0 243.395 1.064 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CCC1(O)CCC1 ZINC000397750057 262931883 /nfs/dbraw/zinc/93/18/83/262931883.db2.gz PBAJARAELFATHQ-NSHDSACASA-N 2 0 214.353 1.399 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CCN1CCOCC(F)(F)F ZINC000082627640 487700039 /nfs/dbraw/zinc/70/00/39/487700039.db2.gz VWYGISHUILXXDS-BDAKNGLRSA-N 2 0 240.269 1.377 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH2+]C1(CO)CCCCC1 ZINC000678972626 487715035 /nfs/dbraw/zinc/71/50/35/487715035.db2.gz OETRZCXXOYWDSC-CYBMUJFWSA-N 2 0 240.391 1.756 20 0 BDADRP C(CC1CCOCC1)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000681111823 487730384 /nfs/dbraw/zinc/73/03/84/487730384.db2.gz LURCMAFWYSNVNB-ZIAGYGMSSA-N 2 0 238.375 1.344 20 0 BDADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000289300144 487747287 /nfs/dbraw/zinc/74/72/87/487747287.db2.gz RZPAKIABZLGOTN-WXHSDQCUSA-N 2 0 247.342 1.025 20 0 BDADRP C[C@H](C[NH2+]CCCN1CC[NH2+]CC1)C(C)(C)C ZINC000666738483 487755906 /nfs/dbraw/zinc/75/59/06/487755906.db2.gz AQTBKZSFQZYPGX-CYBMUJFWSA-N 2 0 241.423 1.554 20 0 BDADRP CC(C)(C)[C@H](CO)[NH2+]CCC[NH+]1CCCCC1 ZINC000444718971 487766985 /nfs/dbraw/zinc/76/69/85/487766985.db2.gz XLGRCJINTMOICR-ZDUSSCGKSA-N 2 0 242.407 1.859 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)CCO1 ZINC000251676236 487788896 /nfs/dbraw/zinc/78/88/96/487788896.db2.gz OZEKCYFLCXXNNV-MGPQQGTHSA-N 2 0 240.391 1.875 20 0 BDADRP C[NH2+][C@H](C)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000414997013 487790645 /nfs/dbraw/zinc/79/06/45/487790645.db2.gz YBFDRJGHHBWMRQ-KKOKHZNYSA-N 2 0 224.348 1.142 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCCOC2)C1 ZINC000459742397 487793350 /nfs/dbraw/zinc/79/33/50/487793350.db2.gz WDJVTHZIOPJMHZ-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H]2CCCOC2)C1 ZINC000674302634 487800215 /nfs/dbraw/zinc/80/02/15/487800215.db2.gz PNFIHLNQHSXBOC-KGLIPLIRSA-N 2 0 240.391 1.829 20 0 BDADRP CC(C)C[C@@H](CO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156058786 487809364 /nfs/dbraw/zinc/80/93/64/487809364.db2.gz QNPCSHOMKHONFJ-HZSPNIEDSA-N 2 0 240.391 1.610 20 0 BDADRP CO[C@H](C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000385933151 487815324 /nfs/dbraw/zinc/81/53/24/487815324.db2.gz DPCUZQVFEXMHOP-RBSFLKMASA-N 2 0 246.354 1.525 20 0 BDADRP COCC[N@H+](CCC[NH3+])[C@@H]1CC[C@H](C)C1 ZINC000414752510 487822368 /nfs/dbraw/zinc/82/23/68/487822368.db2.gz KXMDRLQLZPTDEV-NWDGAFQWSA-N 2 0 214.353 1.472 20 0 BDADRP CC1(C[NH2+]C[C@@H]2C[NH2+]CCCO2)CCC1 ZINC000415037450 487834467 /nfs/dbraw/zinc/83/44/67/487834467.db2.gz LENMOMSVOZZYJM-NSHDSACASA-N 2 0 212.337 1.145 20 0 BDADRP CC1(C[NH2+]C[C@H]2C[NH2+]CCCO2)CCC1 ZINC000415037448 487834393 /nfs/dbraw/zinc/83/43/93/487834393.db2.gz LENMOMSVOZZYJM-LLVKDONJSA-N 2 0 212.337 1.145 20 0 BDADRP CC(C)(C)[C@H]1OCCC[C@H]1C[NH2+]CCC[NH3+] ZINC000415087491 487835788 /nfs/dbraw/zinc/83/57/88/487835788.db2.gz UTILGZVJDYQNIW-RYUDHWBXSA-N 2 0 228.380 1.766 20 0 BDADRP CC(C)(C)[C@@H]1OCCC[C@H]1C[NH2+]CCC[NH3+] ZINC000415087490 487836164 /nfs/dbraw/zinc/83/61/64/487836164.db2.gz UTILGZVJDYQNIW-NWDGAFQWSA-N 2 0 228.380 1.766 20 0 BDADRP CC(C)([NH2+]CCC[NH3+])C(=O)Nc1ccccc1 ZINC000666653154 487851721 /nfs/dbraw/zinc/85/17/21/487851721.db2.gz ZKAFAZYPULDQPK-UHFFFAOYSA-N 2 0 235.331 1.342 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CO[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000401819947 487863827 /nfs/dbraw/zinc/86/38/27/487863827.db2.gz JJZBFULAUQWPRY-WZRBSPASSA-N 2 0 226.364 1.484 20 0 BDADRP c1nc2ccccn2c1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000666763658 487874496 /nfs/dbraw/zinc/87/44/96/487874496.db2.gz MVKMGXPPAPDIRW-GFCCVEGCSA-N 2 0 244.342 1.424 20 0 BDADRP COC[C@@H](CC(C)C)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666954082 487891523 /nfs/dbraw/zinc/89/15/23/487891523.db2.gz PJMGXIIITCOPQG-CHWSQXEVSA-N 2 0 240.391 1.779 20 0 BDADRP COC[C@H](C)C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000666921638 487905709 /nfs/dbraw/zinc/90/57/09/487905709.db2.gz KNQKCVLWVXIHKE-UTUOFQBUSA-N 2 0 214.353 1.376 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cnc2ccccn12 ZINC000666938006 487908889 /nfs/dbraw/zinc/90/88/89/487908889.db2.gz OARGRPBZWDXJRE-GFCCVEGCSA-N 2 0 246.358 1.941 20 0 BDADRP C[C@H](C[NH2+]C[C@@H]1C[NH2+]CCCO1)C(C)(C)C ZINC000666965394 487919686 /nfs/dbraw/zinc/91/96/86/487919686.db2.gz GUHOVAYHIXNOCZ-NEPJUHHUSA-N 2 0 228.380 1.637 20 0 BDADRP C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995075 487921502 /nfs/dbraw/zinc/92/15/02/487921502.db2.gz CFXGZKQQPYSSNE-QJPTWQEYSA-N 2 0 224.348 1.428 20 0 BDADRP Cc1cnccc1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000229658767 487935471 /nfs/dbraw/zinc/93/54/71/487935471.db2.gz ZTMIEWBFIISWQN-OCCSQVGLSA-N 2 0 233.359 1.997 20 0 BDADRP C[C@@H]1C[C@H](NC[C@@H]2CCCC[NH2+]2)CC[N@@H+]1C ZINC000235347630 487944472 /nfs/dbraw/zinc/94/44/72/487944472.db2.gz JQVNWBDCISTCRL-UPJWGTAASA-N 2 0 225.380 1.201 20 0 BDADRP CC[NH+](CC)CCN[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000128184490 323006404 /nfs/dbraw/zinc/00/64/04/323006404.db2.gz MXMFYHINECXIKU-STQMWFEESA-N 2 0 239.407 1.543 20 0 BDADRP CC(C)[C@H]1CCC[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000562603557 323025417 /nfs/dbraw/zinc/02/54/17/323025417.db2.gz PZSCEOBCHHVPFS-ZIAGYGMSSA-N 2 0 242.407 1.979 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)CC[NH2+]C2CC2)cc1 ZINC000565217467 323033951 /nfs/dbraw/zinc/03/39/51/323033951.db2.gz RUSFSUYGYPOBOO-SNVBAGLBSA-N 2 0 247.342 1.787 20 0 BDADRP CC[NH2+]CCC[NH2+][C@H](C)CCCC[NH3+] ZINC000562956298 323034812 /nfs/dbraw/zinc/03/48/12/323034812.db2.gz TXISDHBWJJDVCZ-LLVKDONJSA-N 3 0 201.358 1.093 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+]CC[C@H]2CCOC2)C1 ZINC000569658368 323035791 /nfs/dbraw/zinc/03/57/91/323035791.db2.gz CEKJLMPJZFVHQD-UONOGXRCSA-N 2 0 240.391 1.735 20 0 BDADRP C1=C(C[NH2+]C(C2CC2)C2CC2)CC[NH2+]C1 ZINC000562962733 323036662 /nfs/dbraw/zinc/03/66/62/323036662.db2.gz QZYPJSLWGIFGGL-UHFFFAOYSA-N 2 0 206.333 1.684 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H]2CCO)C1 ZINC000570105976 323050142 /nfs/dbraw/zinc/05/01/42/323050142.db2.gz GKDTXFCETYNNIO-RNJOBUHISA-N 2 0 226.364 1.397 20 0 BDADRP COC[C@H](C)C[NH2+]CCC[NH+]1CCCCC1 ZINC000163298952 323050312 /nfs/dbraw/zinc/05/03/12/323050312.db2.gz VYCXCERBMTZLCU-CYBMUJFWSA-N 2 0 228.380 1.735 20 0 BDADRP CC(C)[NH+](CCC[NH2+][C@H](C)[C@H](C)O)C(C)C ZINC000570156007 323051182 /nfs/dbraw/zinc/05/11/82/323051182.db2.gz UOHNIINQXBBSSV-OLZOCXBDSA-N 2 0 230.396 1.854 20 0 BDADRP CC(C)(CCC[NH3+])NC(=O)c1ccc(C[NH3+])cc1 ZINC000570214396 323052766 /nfs/dbraw/zinc/05/27/66/323052766.db2.gz OCXCEFXQJRDYQB-UHFFFAOYSA-N 2 0 249.358 1.393 20 0 BDADRP [NH3+]CCCCC(=O)Nc1ccc(C[NH3+])cc1 ZINC000572640718 323054286 /nfs/dbraw/zinc/05/42/86/323054286.db2.gz FDBHCYCBNKNKNL-UHFFFAOYSA-N 2 0 221.304 1.213 20 0 BDADRP C[C@@H]1CC2(C[N@@H+]1CC1(F)CC1)CC[NH2+]CC2 ZINC000570442808 323059491 /nfs/dbraw/zinc/05/94/91/323059491.db2.gz RCDFIVCANHEAAM-LLVKDONJSA-N 2 0 226.339 1.953 20 0 BDADRP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000570792708 323070532 /nfs/dbraw/zinc/07/05/32/323070532.db2.gz ISTRILRJFAXBCM-NOOOWODRSA-N 2 0 226.364 1.395 20 0 BDADRP [NH3+]CCC1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000570805027 323070969 /nfs/dbraw/zinc/07/09/69/323070969.db2.gz CWLWCJRZGCMQJH-CYBMUJFWSA-N 3 0 225.380 1.047 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)NCc1ccc(C[NH3+])cc1 ZINC000563164779 323099355 /nfs/dbraw/zinc/09/93/55/323099355.db2.gz FVKWMQGFTONFGN-AWEZNQCLSA-N 2 0 249.358 1.279 20 0 BDADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccc(C[NH3+])cc1 ZINC000563166399 323099378 /nfs/dbraw/zinc/09/93/78/323099378.db2.gz SRECQRRXSQDSFW-GWCFXTLKSA-N 2 0 249.358 1.135 20 0 BDADRP CCC[NH2+][C@@H](C)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000563165864 323099454 /nfs/dbraw/zinc/09/94/54/323099454.db2.gz RAZVDPRWFSDGMJ-NSHDSACASA-N 2 0 249.358 1.150 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CCCO1 ZINC000563425469 323126110 /nfs/dbraw/zinc/12/61/10/323126110.db2.gz QXBVFTYWLSFXEQ-QNWHQSFQSA-N 2 0 226.364 1.804 20 0 BDADRP C[C@H](Cc1ccsc1)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000563452664 323127073 /nfs/dbraw/zinc/12/70/73/323127073.db2.gz WFGHMYUBSFTWCI-YJQGPUDQSA-N 2 0 222.357 1.487 20 0 BDADRP CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000571111890 323135929 /nfs/dbraw/zinc/13/59/29/323135929.db2.gz CJGNMHZXBHFLGY-MEBFFEOJSA-N 2 0 238.375 1.626 20 0 BDADRP Cc1n[nH]c(C)c1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000572850734 323146248 /nfs/dbraw/zinc/14/62/48/323146248.db2.gz ALLTWFWEFFLAPR-GXTWGEPZSA-N 2 0 248.374 1.504 20 0 BDADRP COC(=O)CCC[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397263373 323152480 /nfs/dbraw/zinc/15/24/80/323152480.db2.gz IECPHKZERVVSHC-SRVKXCTJSA-N 2 0 242.363 1.245 20 0 BDADRP CCOC[C@H](C)[NH2+]CCN1CC[C@H](C)C1 ZINC000309034816 323197307 /nfs/dbraw/zinc/19/73/07/323197307.db2.gz HNKWPTPBPKNUEW-RYUDHWBXSA-N 2 0 214.353 1.343 20 0 BDADRP CC[C@@H](COC)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000070624299 323205180 /nfs/dbraw/zinc/20/51/80/323205180.db2.gz NTQYTSJNOFSZNF-NEPJUHHUSA-N 2 0 214.353 1.343 20 0 BDADRP CC[C@H](COC)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000070624300 323205218 /nfs/dbraw/zinc/20/52/18/323205218.db2.gz NTQYTSJNOFSZNF-VXGBXAGGSA-N 2 0 214.353 1.343 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCCOC1)[C@@H]1CCC[NH2+]1 ZINC000530214249 323216608 /nfs/dbraw/zinc/21/66/08/323216608.db2.gz VZTFQYPCAKDARV-XQQFMLRXSA-N 2 0 226.364 1.533 20 0 BDADRP Cc1ncccc1C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000530217246 323217326 /nfs/dbraw/zinc/21/73/26/323217326.db2.gz AMNQBPVUCGQKAM-LEWSCRJBSA-N 2 0 249.358 1.232 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000565156155 323324149 /nfs/dbraw/zinc/32/41/49/323324149.db2.gz HMNCKOPSASUIBX-JHJVBQTASA-N 2 0 242.407 1.713 20 0 BDADRP CC[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000309253539 323332669 /nfs/dbraw/zinc/33/26/69/323332669.db2.gz NRQDEHOMIAYHDP-CHWSQXEVSA-N 2 0 228.380 1.421 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+]C2CC([NH+](C)C)C2)CCO1 ZINC000563976582 323338157 /nfs/dbraw/zinc/33/81/57/323338157.db2.gz RFOODVBIYCMHBH-BLYZHGLHSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)[C@H]1CC12CC2 ZINC000527845848 323703691 /nfs/dbraw/zinc/70/36/91/323703691.db2.gz AKHWNXNAPDCSMO-RWMBFGLXSA-N 2 0 238.375 1.221 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CS[C@@H](C)C1 ZINC000227505273 487962245 /nfs/dbraw/zinc/96/22/45/487962245.db2.gz AZKZZZHBBDEYNQ-OUAUKWLOSA-N 2 0 216.394 1.810 20 0 BDADRP CCC[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])OCC ZINC000530212543 324528902 /nfs/dbraw/zinc/52/89/02/324528902.db2.gz QSMKOLKEJVMRAW-UPJWGTAASA-N 2 0 228.380 1.909 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ncccc1F ZINC000530236472 324551747 /nfs/dbraw/zinc/55/17/47/324551747.db2.gz SVXMNAUCBOSDFK-QWRGUYRKSA-N 2 0 237.322 1.871 20 0 BDADRP CC[C@@H](C)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530239771 324552448 /nfs/dbraw/zinc/55/24/48/324552448.db2.gz HRUFVCPXGLKIGW-OCCSQVGLSA-N 2 0 240.391 1.875 20 0 BDADRP COCCCC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000130113405 325014870 /nfs/dbraw/zinc/01/48/70/325014870.db2.gz MQAKSRLDYMOMKS-RYUDHWBXSA-N 2 0 214.353 1.485 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C3CC3)C2)CN1C1CC1 ZINC000130596955 325070497 /nfs/dbraw/zinc/07/04/97/325070497.db2.gz LSBARHDFGGXAGA-JHJVBQTASA-N 2 0 249.402 1.438 20 0 BDADRP C[C@H](C[C@H](C)O)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000543088030 325071208 /nfs/dbraw/zinc/07/12/08/325071208.db2.gz YURSLRVHGJWGGF-NEPJUHHUSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@H](CN[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+](C)C1CC1 ZINC000130738916 325083233 /nfs/dbraw/zinc/08/32/33/325083233.db2.gz CFTNRZBZVWYNCJ-JHJVBQTASA-N 2 0 239.407 1.541 20 0 BDADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCCO)C1 ZINC000076003634 325325543 /nfs/dbraw/zinc/32/55/43/325325543.db2.gz FMLVVPCEDBHRAH-LBPRGKRZSA-N 2 0 214.353 1.033 20 0 BDADRP Cc1cc(NC[C@H]2CCc3nccn3C2)ncn1 ZINC000547746517 325391217 /nfs/dbraw/zinc/39/12/17/325391217.db2.gz CTSHBJVTSJYXPM-LLVKDONJSA-N 2 0 243.314 1.078 20 0 BDADRP C[NH+](C)CCCC[NH2+]Cc1ccc(CO)o1 ZINC000081555931 325505648 /nfs/dbraw/zinc/50/56/48/325505648.db2.gz XPXKREXJPTURSI-UHFFFAOYSA-N 2 0 226.320 1.203 20 0 BDADRP C[C@H](O)[C@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000564859570 325815046 /nfs/dbraw/zinc/81/50/46/325815046.db2.gz GUGBHICKTNINNW-QWRGUYRKSA-N 2 0 226.364 1.362 20 0 BDADRP C[C@@H](CCC[NH3+])NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000565657006 325939495 /nfs/dbraw/zinc/93/94/95/325939495.db2.gz SLYONAJJKDAUCF-JTQLQIEISA-N 2 0 247.342 1.147 20 0 BDADRP Cc1cccn2c(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cnc12 ZINC000566230077 326019348 /nfs/dbraw/zinc/01/93/48/326019348.db2.gz FUSWIGNPMODQTM-NEPJUHHUSA-N 2 0 246.358 1.858 20 0 BDADRP Nc1ncc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)s1 ZINC000566229921 326019387 /nfs/dbraw/zinc/01/93/87/326019387.db2.gz UBMOQPQADVZGBW-VIFPVBQESA-N 2 0 240.376 1.035 20 0 BDADRP CC[C@H](N[C@@H]1CO[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000566738678 326078386 /nfs/dbraw/zinc/07/83/86/326078386.db2.gz GZHQZYLKHGYFCZ-RHYQMDGZSA-N 2 0 212.337 1.284 20 0 BDADRP C[C@@H]([NH2+][C@@H](CO)C1CCCCC1)[C@H]1CCC[NH2+]1 ZINC000566850014 326087160 /nfs/dbraw/zinc/08/71/60/326087160.db2.gz WJIYVESVBJGYLT-BNOWGMLFSA-N 2 0 240.391 1.658 20 0 BDADRP CC[C@@H]1CCC[C@H]1NCc1noc(CN)n1 ZINC000567386767 326181216 /nfs/dbraw/zinc/18/12/16/326181216.db2.gz CUTDOODNWXHLES-RKDXNWHRSA-N 2 0 224.308 1.197 20 0 BDADRP CC[C@](C)(C[NH3+])c1nc(C2([NH3+])CCCC2)no1 ZINC000567501460 326205288 /nfs/dbraw/zinc/20/52/88/326205288.db2.gz UZAZDCARZPKBEI-LLVKDONJSA-N 2 0 238.335 1.424 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000567641283 326236686 /nfs/dbraw/zinc/23/66/86/326236686.db2.gz RIRZAORJYDUQFB-RYUDHWBXSA-N 3 0 227.396 1.434 20 0 BDADRP COC[C@@H](CC(C)C)[NH2+]CC1CC[NH2+]CC1 ZINC000567639504 326236822 /nfs/dbraw/zinc/23/68/22/326236822.db2.gz VWKVUNXSAJOKKY-CYBMUJFWSA-N 2 0 228.380 1.637 20 0 BDADRP Cc1nccn1CCC[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000568162145 326316748 /nfs/dbraw/zinc/31/67/48/326316748.db2.gz PBRBKWNMMBKRFE-DGCLKSJQSA-N 2 0 236.363 1.393 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCCNc2ccccn2)C1 ZINC000568247692 326333797 /nfs/dbraw/zinc/33/37/97/326333797.db2.gz UHUVTAWXTFFFBD-OLZOCXBDSA-N 2 0 248.374 1.743 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCCNc2ccccn2)C1 ZINC000568247691 326333910 /nfs/dbraw/zinc/33/39/10/326333910.db2.gz UHUVTAWXTFFFBD-CHWSQXEVSA-N 2 0 248.374 1.743 20 0 BDADRP COC[C@H](C)[NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000158689220 326337092 /nfs/dbraw/zinc/33/70/92/326337092.db2.gz PBUDYIKSXBVXIW-IHRRRGAJSA-N 2 0 242.407 1.979 20 0 BDADRP COCC1(CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000568415244 326356304 /nfs/dbraw/zinc/35/63/04/326356304.db2.gz MACQJSVTUHBRJM-VXGBXAGGSA-N 2 0 226.364 1.663 20 0 BDADRP C[C@@H]([NH2+]CC(C1CC1)C1CC1)C1C[NH2+]C1 ZINC000568499429 326359714 /nfs/dbraw/zinc/35/97/14/326359714.db2.gz ZVRRPBCUUVKICS-SECBINFHSA-N 2 0 208.349 1.620 20 0 BDADRP Cn1cc(C[N@H+](C)CCCc2cncn2C)cn1 ZINC000568527568 326363135 /nfs/dbraw/zinc/36/31/35/326363135.db2.gz SZJCJXYVDJDALT-UHFFFAOYSA-N 2 0 247.346 1.218 20 0 BDADRP [NH3+]Cc1ccc(N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000568531908 326363991 /nfs/dbraw/zinc/36/39/91/326363991.db2.gz SRGBQRUWORTNMF-AAEUAGOBSA-N 2 0 219.332 1.827 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](C(C)C)C1 ZINC000568649547 326369342 /nfs/dbraw/zinc/36/93/42/326369342.db2.gz MPBIDPHNJBGXRA-ZIAGYGMSSA-N 2 0 242.407 1.667 20 0 BDADRP C[C@@H](CCC[NH3+])NC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000569104934 326390516 /nfs/dbraw/zinc/39/05/16/326390516.db2.gz OTOPDCWSIPVNPJ-SMDDNHRTSA-N 2 0 249.358 1.104 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC(C)(C)CO ZINC000135082318 488013061 /nfs/dbraw/zinc/01/30/61/488013061.db2.gz GLLLMQMEFQCJKF-OLZOCXBDSA-N 2 0 242.407 1.905 20 0 BDADRP CC[C@@H]1C[N@H+](CCOC(C)C)CC[C@@H]1[NH3+] ZINC000147411197 488014854 /nfs/dbraw/zinc/01/48/54/488014854.db2.gz GEUNXQUJZSVHMC-NEPJUHHUSA-N 2 0 214.353 1.471 20 0 BDADRP CC(C)CCC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000165541725 488016944 /nfs/dbraw/zinc/01/69/44/488016944.db2.gz PXCFBBYAEWFYLY-UHFFFAOYSA-N 2 0 227.396 1.260 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CS1 ZINC000401065073 488025350 /nfs/dbraw/zinc/02/53/50/488025350.db2.gz YUQRNVBCJFSTSL-MLGHIDQZSA-N 2 0 240.416 1.858 20 0 BDADRP COC[C@H](C)C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000045706804 488026559 /nfs/dbraw/zinc/02/65/59/488026559.db2.gz NTVNTMFXQSKBCA-MXWKQRLJSA-N 2 0 200.326 1.081 20 0 BDADRP CC1(C)CCC[C@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663497280 488046581 /nfs/dbraw/zinc/04/65/81/488046581.db2.gz CQDLQFPQNXFOHJ-QWKFWESOSA-N 2 0 208.349 1.907 20 0 BDADRP C(C[C@@H]1CC[NH2+]C1)[NH2+]C(C1CC1)C1CC1 ZINC000084385305 488050034 /nfs/dbraw/zinc/05/00/34/488050034.db2.gz HUUJDEAUGWOICR-JTQLQIEISA-N 2 0 208.349 1.764 20 0 BDADRP Cc1ncc(C[N@H+](C)C[C@@H]2CCCOC2)n1C ZINC000667601792 488056473 /nfs/dbraw/zinc/05/64/73/488056473.db2.gz JZVWYMOJRCQEIR-LBPRGKRZSA-N 2 0 237.347 1.587 20 0 BDADRP C[C@H](COCC1CC1)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000656200635 488067088 /nfs/dbraw/zinc/06/70/88/488067088.db2.gz SREYKBRNBRJMGJ-RAIGVLPGSA-N 2 0 226.364 1.661 20 0 BDADRP CCC1(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)COC1 ZINC000393977119 488094279 /nfs/dbraw/zinc/09/42/79/488094279.db2.gz KLFKHZLZHCJAKM-GHMZBOCLSA-N 2 0 212.337 1.273 20 0 BDADRP Cc1ncc(C[N@H+](C)CCC2CC2)n1C ZINC000667708375 488096461 /nfs/dbraw/zinc/09/64/61/488096461.db2.gz AICVIUDLPMHIBE-UHFFFAOYSA-N 2 0 207.321 1.960 20 0 BDADRP Cc1cncc(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000402844347 488104128 /nfs/dbraw/zinc/10/41/28/488104128.db2.gz PYHIVCZISGXSMR-STQMWFEESA-N 2 0 248.374 1.400 20 0 BDADRP CC[C@@H]1CC[C@@H](C)[N@H+](CCOCC[NH3+])C1 ZINC000389651478 488104668 /nfs/dbraw/zinc/10/46/68/488104668.db2.gz WFYPXBLQJNHARJ-VXGBXAGGSA-N 2 0 214.353 1.472 20 0 BDADRP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)CC)C1CC1 ZINC000323803434 488105342 /nfs/dbraw/zinc/10/53/42/488105342.db2.gz HCWJLQHBQSMWHG-NEPJUHHUSA-N 2 0 214.353 1.077 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(C[NH3+])c1 ZINC000669508424 488109317 /nfs/dbraw/zinc/10/93/17/488109317.db2.gz WMGNESODXITJRY-STQMWFEESA-N 2 0 247.342 1.472 20 0 BDADRP CC(C)(C)[C@H]([NH3+])C(=O)Nc1cccc(C[NH3+])c1 ZINC000669508331 488109349 /nfs/dbraw/zinc/10/93/49/488109349.db2.gz JFCAPMLTHBMNNI-LLVKDONJSA-N 2 0 235.331 1.457 20 0 BDADRP C[C@H]1C[C@@H]1C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000683110604 488111272 /nfs/dbraw/zinc/11/12/72/488111272.db2.gz QEUXKKANXXWWJI-QWHCGFSZSA-N 2 0 239.407 1.258 20 0 BDADRP C[C@H]1C[C@H]1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000683110344 488111997 /nfs/dbraw/zinc/11/19/97/488111997.db2.gz MLPJNRMKPAOPIS-STQMWFEESA-N 2 0 231.343 1.860 20 0 BDADRP [NH3+]C1(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCC1 ZINC000403146256 488115530 /nfs/dbraw/zinc/11/55/30/488115530.db2.gz XPWDMRFHULZHIE-UTUOFQBUSA-N 2 0 208.349 1.894 20 0 BDADRP C[C@@H](C(=O)N(C)CCC[NH3+])[C@@H]([NH3+])c1ccccc1 ZINC000669511870 488117141 /nfs/dbraw/zinc/11/71/41/488117141.db2.gz KRGKEFADZWLLGU-DGCLKSJQSA-N 2 0 249.358 1.130 20 0 BDADRP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)CCCO1 ZINC000403325587 488121377 /nfs/dbraw/zinc/12/13/77/488121377.db2.gz BSBPAAJTVJKNOL-XJFOESAGSA-N 2 0 238.375 1.472 20 0 BDADRP CC(C)C1(C[NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000232675395 488123111 /nfs/dbraw/zinc/12/31/11/488123111.db2.gz VBMWTGJYMFNHKY-ZDUSSCGKSA-N 2 0 240.391 1.469 20 0 BDADRP CCc1nn(C)cc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000168659152 487537458 /nfs/dbraw/zinc/53/74/58/487537458.db2.gz MLFFPYOOVVXBSS-NEPJUHHUSA-N 2 0 236.363 1.342 20 0 BDADRP CC(C)([NH3+])CCC(=O)NCCC[NH+]1CCCC1 ZINC000070086616 487538734 /nfs/dbraw/zinc/53/87/34/487538734.db2.gz YCBKCPHHTIGUND-UHFFFAOYSA-N 2 0 241.379 1.106 20 0 BDADRP CC(C)n1ncnc1CN1C[C@H](C[NH3+])C[C@@H]1C ZINC000216131385 487542338 /nfs/dbraw/zinc/54/23/38/487542338.db2.gz PDGMRZNSKWXQKP-QWRGUYRKSA-N 2 0 237.351 1.028 20 0 BDADRP C[NH+](C)CCC[C@H]1C[N@H+](CC2(C)CC2)CCO1 ZINC000668785834 487531660 /nfs/dbraw/zinc/53/16/60/487531660.db2.gz YYKNCRCUNXFINU-ZDUSSCGKSA-N 2 0 240.391 1.829 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667853612 488139413 /nfs/dbraw/zinc/13/94/13/488139413.db2.gz IPDLNRCRDWEUKS-KGLIPLIRSA-N 2 0 238.375 1.485 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000161076493 487475986 /nfs/dbraw/zinc/47/59/86/487475986.db2.gz GMINUGIBYOCZTR-DGCLKSJQSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@@H](C(=O)Nc1ccc(C[NH3+])cc1)[NH+](C)C ZINC000022178059 487483145 /nfs/dbraw/zinc/48/31/45/487483145.db2.gz DDMHDLWRYHAARC-VIFPVBQESA-N 2 0 221.304 1.034 20 0 BDADRP CCN(CC[NH3+])Cc1ccc(F)cc1C ZINC000231818864 487477288 /nfs/dbraw/zinc/47/72/88/487477288.db2.gz AESSETBCASDNSV-UHFFFAOYSA-N 2 0 210.296 1.915 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](C[C@H]2CC[C@@H](C)O2)CC1 ZINC000227054408 487484597 /nfs/dbraw/zinc/48/45/97/487484597.db2.gz WKORBHPLNDWUGU-NTZNESFSSA-N 2 0 226.364 1.613 20 0 BDADRP COC[C@@H]1CCCC[N@@H+]1Cc1cnc(C)n1C ZINC000668227685 487488942 /nfs/dbraw/zinc/48/89/42/487488942.db2.gz QGOQCIOZBCGKTG-LBPRGKRZSA-N 2 0 237.347 1.729 20 0 BDADRP CC[C@H](C)C[N@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000381070534 487495367 /nfs/dbraw/zinc/49/53/67/487495367.db2.gz ODOVMOSXVAJKIG-STQMWFEESA-N 2 0 230.396 1.665 20 0 BDADRP Cc1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)o1 ZINC000086403992 487500918 /nfs/dbraw/zinc/50/09/18/487500918.db2.gz INFZPWIZCNPYRE-QWRGUYRKSA-N 2 0 208.305 1.948 20 0 BDADRP [NH3+]C1CCC([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000086403958 487501028 /nfs/dbraw/zinc/50/10/28/487501028.db2.gz WFTRKAJWDIZBGF-RSJDFQLWSA-N 3 0 211.353 1.116 20 0 BDADRP COCCCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000086403752 487501042 /nfs/dbraw/zinc/50/10/42/487501042.db2.gz NGGREKFTHFPBCG-MNOVXSKESA-N 2 0 200.326 1.273 20 0 BDADRP CO[C@@H](C[NH2+]CC1([NH3+])CCC1)C1CCC1 ZINC000662266710 487504163 /nfs/dbraw/zinc/50/41/63/487504163.db2.gz OCUWTSXPUWRSRJ-NSHDSACASA-N 2 0 212.337 1.273 20 0 BDADRP Cc1ncccc1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000381370844 487506879 /nfs/dbraw/zinc/50/68/79/487506879.db2.gz MNILRGINJXZEPF-GJZGRUSLSA-N 2 0 245.370 1.951 20 0 BDADRP COC[C@H](C)[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000086500524 487514733 /nfs/dbraw/zinc/51/47/33/487514733.db2.gz HHTNNGLKCPWQDP-AGIUHOORSA-N 2 0 228.380 1.922 20 0 BDADRP CO[C@@H](C[N@@H+]1CCC[C@@H](CC[NH3+])C1)C1CCC1 ZINC000662271745 487518302 /nfs/dbraw/zinc/51/83/02/487518302.db2.gz ISJAJKYTCUGDNY-JSGCOSHPSA-N 2 0 240.391 1.862 20 0 BDADRP [NH3+]Cc1ccc(C(=O)NC[C@@H]2CCCC[NH2+]2)cc1 ZINC000237915648 487534144 /nfs/dbraw/zinc/53/41/44/487534144.db2.gz YVEUCVQJXVYSOB-ZDUSSCGKSA-N 2 0 247.342 1.017 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@H]2CCOC2)CC[C@@H]1[NH3+] ZINC000251879942 487752886 /nfs/dbraw/zinc/75/28/86/487752886.db2.gz VDFJSUUYPJRFCB-UTUOFQBUSA-N 2 0 212.337 1.082 20 0 BDADRP C[NH2+]C[C@@H](C)NC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000662968022 487776160 /nfs/dbraw/zinc/77/61/60/487776160.db2.gz QBOVGDDXUPOJKI-ZYHUDNBSSA-N 2 0 241.379 1.008 20 0 BDADRP Cc1ccc(O)c(C[NH2+][C@H]2CC23CC[NH2+]CC3)n1 ZINC000666952045 487890653 /nfs/dbraw/zinc/89/06/53/487890653.db2.gz DCIJLRFSEQEPGB-ZDUSSCGKSA-N 2 0 247.342 1.327 20 0 BDADRP C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401008816 488016008 /nfs/dbraw/zinc/01/60/08/488016008.db2.gz FYEIIOOTMWCDAS-CLPYTZEMSA-N 2 0 240.416 1.858 20 0 BDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]CC1(F)CC1 ZINC000657574015 488137111 /nfs/dbraw/zinc/13/71/11/488137111.db2.gz WPYLJTVONXLKQY-LBPRGKRZSA-N 2 0 245.386 1.350 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667853613 488139154 /nfs/dbraw/zinc/13/91/54/488139154.db2.gz IPDLNRCRDWEUKS-UONOGXRCSA-N 2 0 238.375 1.485 20 0 BDADRP CNC(=O)[C@H](CC(C)C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000093214374 488139281 /nfs/dbraw/zinc/13/92/81/488139281.db2.gz OMOQIKADIJFHSZ-SRVKXCTJSA-N 2 0 241.379 1.007 20 0 BDADRP [NH3+][C@H]1CCC[C@H](NCCC[NH+]2CCCCC2)C1 ZINC000093210221 488139490 /nfs/dbraw/zinc/13/94/90/488139490.db2.gz BWMSSJYTMXYMHS-KBPBESRZSA-N 2 0 239.407 1.722 20 0 BDADRP C[N@H+](CCC1CCOCC1)C[C@H]1CC[NH2+]C1 ZINC000258861330 488140187 /nfs/dbraw/zinc/14/01/87/488140187.db2.gz ISVKKELTORIROK-ZDUSSCGKSA-N 2 0 226.364 1.344 20 0 BDADRP CCC[N@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000379536636 488141960 /nfs/dbraw/zinc/14/19/60/488141960.db2.gz LVKKRXGOLSZLDN-LLVKDONJSA-N 2 0 202.342 1.029 20 0 BDADRP C[C@H]1C[C@@H](NCC2([NH+](C)C)CC2)CC[N@@H+]1C ZINC000397780386 488149007 /nfs/dbraw/zinc/14/90/07/488149007.db2.gz ORKLILSFYLHUBB-RYUDHWBXSA-N 2 0 225.380 1.153 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCc2ccnn2C)C1 ZINC000230745401 488150483 /nfs/dbraw/zinc/15/04/83/488150483.db2.gz YUFSOXGFYOSGNG-NWDGAFQWSA-N 2 0 236.363 1.022 20 0 BDADRP CCOC[C@@H](C)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000160674523 488151032 /nfs/dbraw/zinc/15/10/32/488151032.db2.gz WSBVNXVEAYQISR-MNOVXSKESA-N 2 0 200.326 1.143 20 0 BDADRP Cc1nnsc1CN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000379772555 488151803 /nfs/dbraw/zinc/15/18/03/488151803.db2.gz BBADSADSTGUWAJ-APPZFPTMSA-N 2 0 226.349 1.016 20 0 BDADRP CC[C@@H]1CC[C@@H](C)[N@@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000379920922 488158667 /nfs/dbraw/zinc/15/86/67/488158667.db2.gz QNWCNNYQSVTZPF-MCIONIFRSA-N 2 0 242.407 1.950 20 0 BDADRP C[N@H+](CCCC[NH2+][C@@H]1CCCOC1)C1CC1 ZINC000453397370 488190590 /nfs/dbraw/zinc/19/05/90/488190590.db2.gz JHHPMBVJUZDZQW-GFCCVEGCSA-N 2 0 226.364 1.629 20 0 BDADRP CC[C@@H](C)C[C@@H](CO)[NH2+]C1CCN(CC)CC1 ZINC000647336112 488192602 /nfs/dbraw/zinc/19/26/02/488192602.db2.gz MPDGYYHVIGYHAJ-OCCSQVGLSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@@H]1C[C@H]1C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000668740867 488193593 /nfs/dbraw/zinc/19/35/93/488193593.db2.gz XWLZABWWCNOEGI-MBNYWOFBSA-N 2 0 238.375 1.173 20 0 BDADRP C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)C1CCC1 ZINC000398746082 488223294 /nfs/dbraw/zinc/22/32/94/488223294.db2.gz YSLQEQQKIVJKRA-OLZOCXBDSA-N 2 0 208.349 1.860 20 0 BDADRP CC[C@@H]1C[C@@H](C)C[N@@H+]1C[C@@H]1CNCCO1 ZINC000399148515 488227464 /nfs/dbraw/zinc/22/74/64/488227464.db2.gz GFFCKFGKZRTEOE-UTUOFQBUSA-N 2 0 212.337 1.095 20 0 BDADRP CO[C@H](C)C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000679851532 488368825 /nfs/dbraw/zinc/36/88/25/488368825.db2.gz SBDMNYUAYUJXQE-NEPJUHHUSA-N 2 0 223.320 1.555 20 0 BDADRP CC[C@H](CC(F)F)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000659851306 490093343 /nfs/dbraw/zinc/09/33/43/490093343.db2.gz YPHSSMYOJJSZOB-MXWKQRLJSA-N 2 0 232.318 1.819 20 0 BDADRP CC(C)n1cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000414924357 490213286 /nfs/dbraw/zinc/21/32/86/490213286.db2.gz JYWQTAZPDRRZDC-QWHCGFSZSA-N 2 0 236.363 1.824 20 0 BDADRP CC(C)[C@H](CCO)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000123754897 490258492 /nfs/dbraw/zinc/25/84/92/490258492.db2.gz MNWNHVGTKYSMCY-JSGCOSHPSA-N 2 0 242.407 1.713 20 0 BDADRP C[C@@H]1[C@H](C)[N@H+](C)CCN1CC[NH2+]C(C)(C)C ZINC000414764747 490293095 /nfs/dbraw/zinc/29/30/95/490293095.db2.gz ZDBFJKMWDDMXTP-NWDGAFQWSA-N 2 0 227.396 1.399 20 0 BDADRP C[C@@H]1[C@H](C)N(CC[NH2+]C(C)(C)C)CC[N@H+]1C ZINC000414764746 490293378 /nfs/dbraw/zinc/29/33/78/490293378.db2.gz ZDBFJKMWDDMXTP-NEPJUHHUSA-N 2 0 227.396 1.399 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCCn2ccnc2)C1 ZINC000086402611 490414438 /nfs/dbraw/zinc/41/44/38/490414438.db2.gz YMYTZHFKQOGAMO-NWDGAFQWSA-N 2 0 222.336 1.133 20 0 BDADRP C[C@H]1C[C@@H](N(C)Cc2cncnc2)CC[N@@H+]1C ZINC000130621295 490418903 /nfs/dbraw/zinc/41/89/03/490418903.db2.gz MFQAONMJARCUAB-AAEUAGOBSA-N 2 0 234.347 1.391 20 0 BDADRP CC(C)(CO)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128086162 490571548 /nfs/dbraw/zinc/57/15/48/490571548.db2.gz FHJANRABLLOVGM-NWDGAFQWSA-N 2 0 226.364 1.221 20 0 BDADRP [NH3+]CCN1CCC[C@H](Oc2ccccc2)C1 ZINC000309556244 491056683 /nfs/dbraw/zinc/05/66/83/491056683.db2.gz MOMZXYLUGJJNIO-ZDUSSCGKSA-N 2 0 220.316 1.489 20 0 BDADRP CC[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000387967042 491058602 /nfs/dbraw/zinc/05/86/02/491058602.db2.gz FEGQKIBHYAJQLM-RNJOBUHISA-N 2 0 210.365 1.962 20 0 BDADRP C[N@H+](CCC[NH3+])CCc1noc2ccccc21 ZINC000655937910 491098864 /nfs/dbraw/zinc/09/88/64/491098864.db2.gz IBLJIXRSLPRKHU-UHFFFAOYSA-N 2 0 233.315 1.651 20 0 BDADRP CN(Cc1cncnc1)C[C@H]1CCC[N@H+](C)C1 ZINC000122714354 491115662 /nfs/dbraw/zinc/11/56/62/491115662.db2.gz QRFOWRPXFBMEFJ-LBPRGKRZSA-N 2 0 234.347 1.250 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCOC1)C1CC[NH+](C)CC1 ZINC000230410442 491130011 /nfs/dbraw/zinc/13/00/11/491130011.db2.gz ZGWOFHNKPYJPHS-STQMWFEESA-N 2 0 240.391 1.733 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]C[C@@H]2CCCO2)c2ccccc21 ZINC000131916264 491133926 /nfs/dbraw/zinc/13/39/26/491133926.db2.gz NJNJLDKYGPFIOA-BPNCWPANSA-N 2 0 232.327 1.900 20 0 BDADRP COCC1([NH2+][C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000309671387 491153615 /nfs/dbraw/zinc/15/36/15/491153615.db2.gz WDUMXRGCMJZYST-LLVKDONJSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H]([NH2+]CCC1CCOCC1)[C@H]1CCC[NH2+]1 ZINC000400721303 533842637 /nfs/dbraw/zinc/84/26/37/533842637.db2.gz OMHPBKWBSBAISD-WCQYABFASA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000400744811 533842954 /nfs/dbraw/zinc/84/29/54/533842954.db2.gz UHDOIBFJXULVMU-JSGCOSHPSA-N 3 0 239.407 1.448 20 0 BDADRP C[NH+](C)CCCC[NH2+]Cc1ccc(O)cc1 ZINC000045662939 582634107 /nfs/dbraw/zinc/63/41/07/582634107.db2.gz VRSUYONPKQJUMH-UHFFFAOYSA-N 2 0 222.332 1.824 20 0 BDADRP C[NH+](C)Cc1ccc(C[NH2+]CC2(C)COC2)cc1 ZINC000352250583 536011853 /nfs/dbraw/zinc/01/18/53/536011853.db2.gz JHHTWJZUXRTZTF-UHFFFAOYSA-N 2 0 248.370 1.874 20 0 BDADRP Cc1ncc(C[N@H+](C)CC[C@@H]2CC[NH2+]C2)s1 ZINC000400068846 534733910 /nfs/dbraw/zinc/73/39/10/534733910.db2.gz SVGUYGMCDXEEBX-NSHDSACASA-N 2 0 239.388 1.883 20 0 BDADRP C[N@H+](C[C@H]1CCOC1)[C@H]1CCC[NH2+]CC1 ZINC000261530291 536451638 /nfs/dbraw/zinc/45/16/38/536451638.db2.gz CGAIQBLTQDXZFI-NEPJUHHUSA-N 2 0 212.337 1.097 20 0 BDADRP C[N@@H+]1CC[C@@H]2CCN(C[C@@H]3CCC[NH2+]C3)[C@H]2C1 ZINC000261764502 536463826 /nfs/dbraw/zinc/46/38/26/536463826.db2.gz DHBAUXDNQUSIQM-MCIONIFRSA-N 2 0 237.391 1.012 20 0 BDADRP C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)[C@@H]1CCOC1 ZINC000400624642 527483102 /nfs/dbraw/zinc/48/31/02/527483102.db2.gz NCRHGMZOTRMCQF-MCIONIFRSA-N 2 0 238.375 1.344 20 0 BDADRP CC[N@H+](CCN[C@@H](C)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000400721416 528513173 /nfs/dbraw/zinc/51/31/73/528513173.db2.gz OPQZJLAHFPCJKX-AAEUAGOBSA-N 2 0 225.380 1.201 20 0 BDADRP CCOCCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400373138 528691988 /nfs/dbraw/zinc/69/19/88/528691988.db2.gz HPAIZHCVHSXWFA-QWRGUYRKSA-N 2 0 200.326 1.143 20 0 BDADRP CCOCCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400373140 528692544 /nfs/dbraw/zinc/69/25/44/528692544.db2.gz HPAIZHCVHSXWFA-WDEREUQCSA-N 2 0 200.326 1.143 20 0 BDADRP CCC(CC)(CO)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400432791 528707105 /nfs/dbraw/zinc/70/71/05/528707105.db2.gz KKJJSISTRJYSPX-NEPJUHHUSA-N 2 0 228.380 1.515 20 0 BDADRP CCCC[C@@H]([NH3+])C(=O)N[C@H](C)CCCC[NH3+] ZINC000495100837 528835503 /nfs/dbraw/zinc/83/55/03/528835503.db2.gz KJFCALJUXXPCBF-GHMZBOCLSA-N 2 0 229.368 1.138 20 0 BDADRP CC(C)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335631300 535079223 /nfs/dbraw/zinc/07/92/23/535079223.db2.gz ABHMXALCWMQVBN-CHWSQXEVSA-N 2 0 210.365 1.964 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000253017735 535160611 /nfs/dbraw/zinc/16/06/11/535160611.db2.gz IBIXLGQASCBINE-SDDRHHMPSA-N 2 0 214.353 1.110 20 0 BDADRP CC(C)COCC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261581746 535177465 /nfs/dbraw/zinc/17/74/65/535177465.db2.gz NWCJIWQYEZSGSL-QWHCGFSZSA-N 2 0 226.364 1.200 20 0 BDADRP CC(C)[C@@H](CCO)[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000227009433 535181354 /nfs/dbraw/zinc/18/13/54/535181354.db2.gz UZRAMLJYSGQYOL-ZIAGYGMSSA-N 2 0 242.407 1.857 20 0 BDADRP CC(C)[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252715680 535285204 /nfs/dbraw/zinc/28/52/04/535285204.db2.gz WJSBJMMLUQHNHA-JHJVBQTASA-N 2 0 228.380 1.323 20 0 BDADRP CC[C@@H](C(=O)NCCC[NH+](C)C)[NH+](CC)CC ZINC000342685575 535410421 /nfs/dbraw/zinc/41/04/21/535410421.db2.gz YPNVANLBMDAVBA-LBPRGKRZSA-N 2 0 243.395 1.175 20 0 BDADRP CC[NH2+]CC1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000261927553 535458062 /nfs/dbraw/zinc/45/80/62/535458062.db2.gz LCOLBRLRNZILKF-CQSZACIVSA-N 2 0 240.391 1.735 20 0 BDADRP CC[NH2+]CC1CC[NH+](CC(C)(C)COC)CC1 ZINC000261811374 535458843 /nfs/dbraw/zinc/45/88/43/535458843.db2.gz HSHKGCSOMQJKEM-UHFFFAOYSA-N 2 0 242.407 1.981 20 0 BDADRP CC[NH+](CC)[C@H]1CCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000216597355 535679120 /nfs/dbraw/zinc/67/91/20/535679120.db2.gz SXCZSANCYCJVAQ-KBPBESRZSA-N 2 0 239.407 1.402 20 0 BDADRP CCOC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000084221032 535689991 /nfs/dbraw/zinc/68/99/91/535689991.db2.gz WRWXRZGVAVHTIC-HBNTYKKESA-N 2 0 200.326 1.128 20 0 BDADRP C[NH+](C)[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)CC1 ZINC000261792181 536136812 /nfs/dbraw/zinc/13/68/12/536136812.db2.gz GFADQDBZCJSNJT-AWEZNQCLSA-N 3 0 239.407 1.402 20 0 BDADRP C[N@H+](CCC1CCCCC1)C[C@H](O)C[NH3+] ZINC000258773046 536322292 /nfs/dbraw/zinc/32/22/92/536322292.db2.gz BCVNVAAXGHYJBC-GFCCVEGCSA-N 2 0 214.353 1.208 20 0 BDADRP C[N@H+](CCC1CCOCC1)CC(C)(C)[NH3+] ZINC000258928141 536326164 /nfs/dbraw/zinc/32/61/64/536326164.db2.gz VAYOTEFDXAKVCR-UHFFFAOYSA-N 2 0 214.353 1.472 20 0 BDADRP C[N@H+](CCNC1=[NH+]CCCN1)C1CCCCC1 ZINC000261749548 536387239 /nfs/dbraw/zinc/38/72/39/536387239.db2.gz JQHSPPIAERGQIN-UHFFFAOYSA-N 2 0 238.379 1.190 20 0 BDADRP C[NH2+][C@H]1CCCN(c2cc[nH+]cc2C)C1 ZINC000070047589 536415353 /nfs/dbraw/zinc/41/53/53/536415353.db2.gz GBHXGOPUXKTZST-NSHDSACASA-N 2 0 205.305 1.578 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])C1CC1 ZINC000262022928 536647219 /nfs/dbraw/zinc/64/72/19/536647219.db2.gz YISXZRLPTDTBKF-FRRDWIJNSA-N 2 0 226.364 1.519 20 0 BDADRP CO[C@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000179243447 536708155 /nfs/dbraw/zinc/70/81/55/536708155.db2.gz QCGBXINCNJPCQU-STQMWFEESA-N 2 0 226.364 1.582 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](C)C(C)C ZINC000234787651 536850482 /nfs/dbraw/zinc/85/04/82/536850482.db2.gz WXJMMSAGUDUOED-NEPJUHHUSA-N 2 0 216.369 1.622 20 0 BDADRP COC[C@H]([NH2+]CC1CC[NH+](C)CC1)C1CC1 ZINC000087479760 536875750 /nfs/dbraw/zinc/87/57/50/536875750.db2.gz FIDWKWMKKVGUCY-ZDUSSCGKSA-N 2 0 226.364 1.343 20 0 BDADRP COc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000261555520 536897643 /nfs/dbraw/zinc/89/76/43/536897643.db2.gz PUUUOPZJTLJPJT-SMDDNHRTSA-N 2 0 234.343 1.783 20 0 BDADRP COc1ccccc1C[C@@H](C)[NH2+]CC(C)(C)[NH3+] ZINC000261567645 537051475 /nfs/dbraw/zinc/05/14/75/537051475.db2.gz ZZMJWMDQKGENKD-LLVKDONJSA-N 2 0 236.359 1.953 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000394110110 582955400 /nfs/dbraw/zinc/95/54/00/582955400.db2.gz MBPUZXDFOGXMBX-JSGCOSHPSA-N 2 0 242.407 1.571 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@H]2CC[C@@H](CO)CC2)CC1 ZINC000893131584 583054416 /nfs/dbraw/zinc/05/44/16/583054416.db2.gz DAEMTZKNTMRNTH-OKILXGFUSA-N 2 0 240.391 1.469 20 0 BDADRP CC(C)C[N@H+](C)CCCNCc1ncc[nH]1 ZINC000651866632 583147307 /nfs/dbraw/zinc/14/73/07/583147307.db2.gz LEKJOOLVADVTPZ-UHFFFAOYSA-N 2 0 224.352 1.477 20 0 BDADRP CC(C)[C@H]1CC[C@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000854226599 588780442 /nfs/dbraw/zinc/78/04/42/588780442.db2.gz IQZUQMOZMNUEBW-QZQSVVMZSA-N 2 0 208.349 1.763 20 0 BDADRP CCOCC[N@H+](CC)CC1CC[NH+](C)CC1 ZINC000891817610 582725911 /nfs/dbraw/zinc/72/59/11/582725911.db2.gz BXIASWFEPNIJNU-UHFFFAOYSA-N 2 0 228.380 1.687 20 0 BDADRP C[NH+](C)C[C@H]1CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000892034753 582766662 /nfs/dbraw/zinc/76/66/62/582766662.db2.gz UGKPJINXTTXWHF-CQSZACIVSA-N 3 0 239.407 1.212 20 0 BDADRP CC(C)[NH2+]C1CCN(c2cc[nH+]cc2CO)CC1 ZINC000892288812 582828909 /nfs/dbraw/zinc/82/89/09/582828909.db2.gz VSPFUUAXSVUMER-UHFFFAOYSA-N 2 0 249.358 1.541 20 0 BDADRP CC/C=C\CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000849035261 582836534 /nfs/dbraw/zinc/83/65/34/582836534.db2.gz BOHZEJXIUCABCB-FOQNGQEVSA-N 2 0 238.379 1.551 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]Cc1ccnc2ccccc12 ZINC000560942819 582841190 /nfs/dbraw/zinc/84/11/90/582841190.db2.gz MTFONTNFJHXJDR-LLVKDONJSA-N 2 0 229.327 1.919 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CNc1cc[nH+]cc1CO ZINC000892460677 582893013 /nfs/dbraw/zinc/89/30/13/582893013.db2.gz RXTIFDAHEPHNNY-CYBMUJFWSA-N 2 0 249.358 1.282 20 0 BDADRP COc1ccc(CN[C@H](C)CC[NH+](C)C)nc1 ZINC000892763396 582978582 /nfs/dbraw/zinc/97/85/82/582978582.db2.gz MULOSOOLZZHUQY-LLVKDONJSA-N 2 0 237.347 1.520 20 0 BDADRP COC[C@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)C(C)C ZINC000086695664 583109605 /nfs/dbraw/zinc/10/96/05/583109605.db2.gz TZYVZEIFWTWCIY-OCCSQVGLSA-N 2 0 242.407 1.977 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCCSCC2)CC1 ZINC000893421363 583140867 /nfs/dbraw/zinc/14/08/67/583140867.db2.gz SKTSSBXRMSLZQG-UHFFFAOYSA-N 2 0 228.405 1.767 20 0 BDADRP C[C@@H]1[C@@H](C)[N@H+](CC2CC[NH+](C)CC2)CCN1C ZINC000893669598 583192375 /nfs/dbraw/zinc/19/23/75/583192375.db2.gz QTDNPNUPYZWYRM-CHWSQXEVSA-N 2 0 239.407 1.353 20 0 BDADRP Fc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000843341274 583224932 /nfs/dbraw/zinc/22/49/32/583224932.db2.gz SYVKBHOJYNRDPQ-GRYCIOLGSA-N 2 0 249.333 1.698 20 0 BDADRP CC[C@H]1CO[C@@H](C)CN1Cc1c(C)ccnc1N ZINC000893894123 583245126 /nfs/dbraw/zinc/24/51/26/583245126.db2.gz AVPUJXQWEFJQSM-RYUDHWBXSA-N 2 0 249.358 1.972 20 0 BDADRP CC[N@H+](CCC[NH+](C)C)CC1CC[NH+](C)CC1 ZINC000894471512 583469184 /nfs/dbraw/zinc/46/91/84/583469184.db2.gz LLHIQPYJDQHWJC-UHFFFAOYSA-N 3 0 241.423 1.602 20 0 BDADRP COCc1cccc(C[NH2+]CCC[NH3+])c1 ZINC000083968327 583581864 /nfs/dbraw/zinc/58/18/64/583581864.db2.gz PTOKAOURMJLUSY-UHFFFAOYSA-N 2 0 208.305 1.271 20 0 BDADRP CC[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)[C@H](C)CO1 ZINC000895146281 583604484 /nfs/dbraw/zinc/60/44/84/583604484.db2.gz DQBAFBZPNCTSJE-TZMCWYRMSA-N 2 0 240.391 1.828 20 0 BDADRP Cc1ncc(C[N@@H+]2CCCCC[C@@H]2CO)n1C ZINC000895151729 583606988 /nfs/dbraw/zinc/60/69/88/583606988.db2.gz WWRHGDDCVBXOLK-GFCCVEGCSA-N 2 0 237.347 1.465 20 0 BDADRP C[C@@H]([NH2+]CC[C@H](C)[NH+](C)C)C1CCOCC1 ZINC000895292556 583636999 /nfs/dbraw/zinc/63/69/99/583636999.db2.gz GUUONFIFZULHCR-NWDGAFQWSA-N 2 0 228.380 1.731 20 0 BDADRP CS[C@@H]1CC[C@H]1[NH2+]CC[C@H](C)[NH+](C)C ZINC000895291372 583637153 /nfs/dbraw/zinc/63/71/53/583637153.db2.gz FAJPIINLFCTBEI-HBNTYKKESA-N 2 0 216.394 1.810 20 0 BDADRP CC1=NO[C@H](CN[C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000895302970 583644912 /nfs/dbraw/zinc/64/49/12/583644912.db2.gz XZGMUNKUIHBKGN-RYUDHWBXSA-N 2 0 239.363 1.614 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@H]2C[C@H](O)C23CCC3)CC1 ZINC000895399612 583666187 /nfs/dbraw/zinc/66/61/87/583666187.db2.gz CKPJQBUWYORTMS-OLZOCXBDSA-N 2 0 238.375 1.221 20 0 BDADRP C[NH+]1CCC(C[NH2+]CC(C)(C)F)CC1 ZINC000895692456 583708107 /nfs/dbraw/zinc/70/81/07/583708107.db2.gz VXELMUDLTBAJMA-UHFFFAOYSA-N 2 0 202.317 1.666 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000883441102 583814410 /nfs/dbraw/zinc/81/44/10/583814410.db2.gz HDQVFKYVSDSDCT-NWBUJAPZSA-N 2 0 238.375 1.659 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000883441103 583815528 /nfs/dbraw/zinc/81/55/28/583815528.db2.gz HDQVFKYVSDSDCT-SJHCENCUSA-N 2 0 238.375 1.659 20 0 BDADRP OCCCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151173773 583962126 /nfs/dbraw/zinc/96/21/26/583962126.db2.gz LVTYGLVYUSKYEO-UHFFFAOYSA-N 2 0 249.358 1.366 20 0 BDADRP C[C@H]1CN(C)C[C@@H]1[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000897536195 584009796 /nfs/dbraw/zinc/00/97/96/584009796.db2.gz JIDLKUFNBRCDHI-XUXIUFHCSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@@H]1C[C@H](Nc2cc[nH+]c(CO)c2)CC[N@@H+]1C ZINC000858423318 588953415 /nfs/dbraw/zinc/95/34/15/588953415.db2.gz CRWQHHQKAJDRRW-ZYHUDNBSSA-N 2 0 235.331 1.469 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@@H](Nc2cc[nH+]c(CO)c2)C1 ZINC000858436734 588954853 /nfs/dbraw/zinc/95/48/53/588954853.db2.gz OPTIHRWNVYPXNI-BXUZGUMPSA-N 2 0 249.358 1.859 20 0 BDADRP COC[C@H](C)C[N@H+](C)CC(C)(C)C[NH+](C)C ZINC000898307398 584109417 /nfs/dbraw/zinc/10/94/17/584109417.db2.gz AZBMWQOUTGJLFE-GFCCVEGCSA-N 2 0 230.396 1.789 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CC[NH2+][C@@H](C)C1)C1CC[NH2+]CC1 ZINC000873219888 584127375 /nfs/dbraw/zinc/12/73/75/584127375.db2.gz GWKWTCJMOSUYBN-XQQFMLRXSA-N 3 0 239.407 1.352 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)[C@H](C)C1 ZINC000873258193 584128218 /nfs/dbraw/zinc/12/82/18/584128218.db2.gz NUTDJRLHINSUDI-LPWJVIDDSA-N 3 0 225.380 1.044 20 0 BDADRP CC[N@@H+]1CCN(c2cc[nH+]c(CO)c2)[C@H](C)C1 ZINC000858542306 588964084 /nfs/dbraw/zinc/96/40/84/588964084.db2.gz BKGRUAZFLYDIDU-LLVKDONJSA-N 2 0 235.331 1.104 20 0 BDADRP c1cc(C2=CCC[NH2+]C2)cc2c1C[NH2+]C2 ZINC000899322908 584196683 /nfs/dbraw/zinc/19/66/83/584196683.db2.gz BQLFCLHWWSDSHV-UHFFFAOYSA-N 2 0 200.285 1.667 20 0 BDADRP CC(C)[NH+](Cc1cn([C@@H](C)C[NH3+])nn1)C(C)C ZINC000899719773 584227677 /nfs/dbraw/zinc/22/76/77/584227677.db2.gz SPXQXOSIZMOTON-NSHDSACASA-N 2 0 239.367 1.417 20 0 BDADRP C[N@@H+]1C[C@@H]2CCCN(c3cc[nH+]c(CO)c3)[C@@H]2C1 ZINC000858586069 588969186 /nfs/dbraw/zinc/96/91/86/588969186.db2.gz RKDBRLREWOACQJ-SMDDNHRTSA-N 2 0 247.342 1.104 20 0 BDADRP C[NH2+][C@@H](C)Cc1noc([C@@H]2CC[NH2+][C@H](C)C2)n1 ZINC000900008963 584264907 /nfs/dbraw/zinc/26/49/07/584264907.db2.gz REEZWYGNJYNQDN-IVZWLZJFSA-N 2 0 238.335 1.076 20 0 BDADRP C[C@@H](CCNc1cc[nH+]c(CO)c1)[NH+](C)C ZINC000858625522 588971726 /nfs/dbraw/zinc/97/17/26/588971726.db2.gz VAOSWLMAYNQKJR-JTQLQIEISA-N 2 0 223.320 1.326 20 0 BDADRP CC1(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)COC1 ZINC000902319363 584551436 /nfs/dbraw/zinc/55/14/36/584551436.db2.gz MPCBFAVQJGUOKD-NSHDSACASA-N 2 0 226.364 1.391 20 0 BDADRP C[C@H](C[C@H](C)O)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902371743 584566616 /nfs/dbraw/zinc/56/66/16/584566616.db2.gz UOYCUDGQOMJBRR-GRYCIOLGSA-N 2 0 228.380 1.514 20 0 BDADRP CO[C@@H](C)[C@H](C)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902375088 584567077 /nfs/dbraw/zinc/56/70/77/584567077.db2.gz ABHBAEYTAPHYHD-SDDRHHMPSA-N 2 0 228.380 1.778 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H]2C=C[C@H](CO)C2)C1 ZINC000902360684 584571641 /nfs/dbraw/zinc/57/16/41/584571641.db2.gz LYCCNSPKQCMNMT-YNEHKIRRSA-N 2 0 238.375 1.291 20 0 BDADRP CC(C)(CO)C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902361220 584572591 /nfs/dbraw/zinc/57/25/91/584572591.db2.gz KHFWLYGTUJDHCH-NSHDSACASA-N 2 0 228.380 1.373 20 0 BDADRP [NH3+]C1(CN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000902410239 584575956 /nfs/dbraw/zinc/57/59/56/584575956.db2.gz QPCLWVQCDWJUIZ-KBPBESRZSA-N 2 0 245.370 1.561 20 0 BDADRP CC[C@H](C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)OC ZINC000902388287 584579822 /nfs/dbraw/zinc/57/98/22/584579822.db2.gz OIBUZDCMVQLUJU-VXGBXAGGSA-N 2 0 228.380 1.779 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cnn(CCF)c2)C1 ZINC000902445331 584598761 /nfs/dbraw/zinc/59/87/61/584598761.db2.gz KYUDWDSTMHDJJE-RYUDHWBXSA-N 2 0 240.326 1.212 20 0 BDADRP C[C@@H]1C[C@@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C[N@@H+]1C1CC1 ZINC000902474490 584602222 /nfs/dbraw/zinc/60/22/22/584602222.db2.gz FPECVYALCYHSLE-KLKTVBQGSA-N 2 0 235.375 1.094 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C1CCOCC1 ZINC000902476810 584602946 /nfs/dbraw/zinc/60/29/46/584602946.db2.gz PGFMULRRVWVQTA-ZBAXXZLZSA-N 2 0 224.348 1.284 20 0 BDADRP CC[C@@H](NC[C@@H]1CCCCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000902476645 584603046 /nfs/dbraw/zinc/60/30/46/584603046.db2.gz NGNNFNBAIQAOBI-MJBXVCDLSA-N 2 0 239.407 1.639 20 0 BDADRP C[C@@H]1C[C@@H](N[C@H]2C[NH2+]CC2(C)C)C[N@@H+]1C1CC1 ZINC000902448955 584605493 /nfs/dbraw/zinc/60/54/93/584605493.db2.gz KBLOOKQGZPZWDJ-WZRBSPASSA-N 2 0 237.391 1.199 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902452883 584607886 /nfs/dbraw/zinc/60/78/86/584607886.db2.gz MZTXEPRHXLVACS-FQIARQCESA-N 2 0 224.348 1.269 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C12CCC2 ZINC000902452867 584608149 /nfs/dbraw/zinc/60/81/49/584608149.db2.gz MTGRGFATDMFNEI-UXIJPVMISA-N 2 0 234.343 1.022 20 0 BDADRP CC1(C)CC[N@H+](CCN[C@H]2CCC[C@H]2[NH3+])C1 ZINC000902457008 584610380 /nfs/dbraw/zinc/61/03/80/584610380.db2.gz RQKOVOFPVBSZSZ-NEPJUHHUSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1c[nH+]ccc1N ZINC000902462627 584612388 /nfs/dbraw/zinc/61/23/88/584612388.db2.gz WHJIMUZWWMDLDB-OTMMVIPVSA-N 2 0 232.331 1.038 20 0 BDADRP C[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@H]1CCCOC1 ZINC000902466974 584614726 /nfs/dbraw/zinc/61/47/26/584614726.db2.gz JXWYRRHPYOPFKK-KSSYENDESA-N 2 0 224.348 1.284 20 0 BDADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)C1 ZINC000902490178 584617547 /nfs/dbraw/zinc/61/75/47/584617547.db2.gz UHWNNGCKWAMJMP-DHGKCCLASA-N 2 0 238.375 1.519 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H](O)C1CC1 ZINC000902502887 584620677 /nfs/dbraw/zinc/62/06/77/584620677.db2.gz HEIVZNXYAKKGEN-RWMBFGLXSA-N 2 0 226.364 1.255 20 0 BDADRP C[C@@H]1CC=CC[C@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000902504266 584621067 /nfs/dbraw/zinc/62/10/67/584621067.db2.gz NGEXVCZRZVAHNH-CCEZWXGKSA-N 2 0 232.371 1.927 20 0 BDADRP CC[C@@H]([NH2+]CC[C@H](O)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000902506199 584621974 /nfs/dbraw/zinc/62/19/74/584621974.db2.gz XIOPVHFPEIGPBU-AGIUHOORSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@H]1CCCCC[NH2+]1 ZINC000902482493 584624060 /nfs/dbraw/zinc/62/40/60/584624060.db2.gz LZUSOGRBJMZTKY-UPJWGTAASA-N 2 0 225.380 1.058 20 0 BDADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H]2CCCc3n[nH]cc32)C1 ZINC000902485220 584624626 /nfs/dbraw/zinc/62/46/26/584624626.db2.gz JMKKAEGPYCTZJQ-QXEWZRGKSA-N 2 0 220.320 1.114 20 0 BDADRP CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)CCO1 ZINC000902485770 584625287 /nfs/dbraw/zinc/62/52/87/584625287.db2.gz OBVLGLBUMFFMTQ-CYDGBPFRSA-N 2 0 226.364 1.517 20 0 BDADRP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)[C@H]1CCCOC1 ZINC000902486560 584625452 /nfs/dbraw/zinc/62/54/52/584625452.db2.gz QUGZNGDTQYNUKP-BJDJZHNGSA-N 2 0 212.337 1.128 20 0 BDADRP CC(C)[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)CCO1 ZINC000902486041 584625457 /nfs/dbraw/zinc/62/54/57/584625457.db2.gz OBVLGLBUMFFMTQ-ZDEQEGDKSA-N 2 0 226.364 1.517 20 0 BDADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902485921 584625502 /nfs/dbraw/zinc/62/55/02/584625502.db2.gz BJSMQMLPNIEVFP-GVXVVHGQSA-N 2 0 248.374 1.237 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C1(C)C ZINC000902486679 584625744 /nfs/dbraw/zinc/62/57/44/584625744.db2.gz HUSOLVMNMQNFDA-DDHJBXDOSA-N 2 0 226.364 1.517 20 0 BDADRP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cncc(F)c1 ZINC000902486920 584626162 /nfs/dbraw/zinc/62/61/62/584626162.db2.gz IGTNVELHTTUIRC-KBVBSXBZSA-N 2 0 223.295 1.609 20 0 BDADRP CCC1(CC)[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C[C@@H]1OC ZINC000902488408 584626473 /nfs/dbraw/zinc/62/64/73/584626473.db2.gz YAPLOFQBJXFVKL-LPWJVIDDSA-N 2 0 240.391 1.907 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)[C@H](C)C1 ZINC000902487732 584626709 /nfs/dbraw/zinc/62/67/09/584626709.db2.gz LXASAWKBOPQVPJ-FDYHWXHSSA-N 3 0 225.380 1.044 20 0 BDADRP CCC1(CC)[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C[C@H]1OC ZINC000902488406 584626956 /nfs/dbraw/zinc/62/69/56/584626956.db2.gz YAPLOFQBJXFVKL-FDYHWXHSSA-N 2 0 240.391 1.907 20 0 BDADRP Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902489321 584627373 /nfs/dbraw/zinc/62/73/73/584627373.db2.gz OXKPVOYHTHMEDR-LSJOCFKGSA-N 2 0 222.336 1.116 20 0 BDADRP Cc1ncccc1CC[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000902514163 584629517 /nfs/dbraw/zinc/62/95/17/584629517.db2.gz RJQRHBJGVACJNK-CHWSQXEVSA-N 2 0 219.332 1.402 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1COC[C@H]1C1CC1 ZINC000902517533 584630164 /nfs/dbraw/zinc/63/01/64/584630164.db2.gz JBVCWMMCCFPNHV-SAXRGWBVSA-N 2 0 238.375 1.389 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1COC[C@H]1C1CC1 ZINC000902518429 584630667 /nfs/dbraw/zinc/63/06/67/584630667.db2.gz LCOZYAZPXHWGBE-XUXIUFHCSA-N 2 0 238.375 1.519 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000902518514 584630873 /nfs/dbraw/zinc/63/08/73/584630873.db2.gz MCNQTDPLFLDQHN-NILFDRSVSA-N 2 0 248.370 1.752 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C/C=C/Cl ZINC000902519813 584631552 /nfs/dbraw/zinc/63/15/52/584631552.db2.gz MPYYZVSFUWELAF-CNZCLXAMSA-N 2 0 202.729 1.717 20 0 BDADRP C[C@@H](C[NH2+][C@@H]1CCOC12CCCC2)C[NH+](C)C ZINC000903174727 584732499 /nfs/dbraw/zinc/73/24/99/584732499.db2.gz NBNIGLWPDBGMPS-QWHCGFSZSA-N 2 0 240.391 1.875 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000903185122 584733489 /nfs/dbraw/zinc/73/34/89/584733489.db2.gz HPENKQFQIGMGDM-MGPQQGTHSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903425289 584760883 /nfs/dbraw/zinc/76/08/83/584760883.db2.gz ZFIQUWPDPDPOAY-AGIUHOORSA-N 2 0 227.396 1.419 20 0 BDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903425290 584760912 /nfs/dbraw/zinc/76/09/12/584760912.db2.gz ZFIQUWPDPDPOAY-FRRDWIJNSA-N 2 0 227.396 1.419 20 0 BDADRP [NH3+]CC1CC[NH+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC1 ZINC000903422091 584763933 /nfs/dbraw/zinc/76/39/33/584763933.db2.gz VVZAPNZGGQORMZ-ZSBIGDGJSA-N 2 0 244.329 1.948 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H]1C[NH3+] ZINC000903459194 584765904 /nfs/dbraw/zinc/76/59/04/584765904.db2.gz DQYZNSIPRHGITP-BJJPWKGXSA-N 3 0 239.407 1.419 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000903461211 584766432 /nfs/dbraw/zinc/76/64/32/584766432.db2.gz PJQVSGYPANJBFV-YIYPIFLZSA-N 3 0 239.407 1.291 20 0 BDADRP C[C@@H]1CC2(C[N@@H+]1C[C@H]1CCC[NH2+]1)CC[NH2+]CC2 ZINC000903459917 584766750 /nfs/dbraw/zinc/76/67/50/584766750.db2.gz QUFJOXITFIOHSD-CHWSQXEVSA-N 3 0 237.391 1.202 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@@]3(C2)CCCOC3)C1 ZINC000903464249 584767180 /nfs/dbraw/zinc/76/71/80/584767180.db2.gz FDESFUHEVDECFQ-BFHYXJOUSA-N 2 0 238.375 1.616 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000903447272 584770709 /nfs/dbraw/zinc/77/07/09/584770709.db2.gz MERICQXYBQHYQM-ODXJTPSBSA-N 3 0 237.391 1.173 20 0 BDADRP [NH3+]CCN(Cc1ccccc1)C[C@H]1CCC[NH2+]1 ZINC000903448703 584771094 /nfs/dbraw/zinc/77/10/94/584771094.db2.gz KFXZSCYFEIVEHD-CQSZACIVSA-N 2 0 233.359 1.199 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@@H]1[NH3+] ZINC000903450460 584771772 /nfs/dbraw/zinc/77/17/72/584771772.db2.gz WIKXCGXXXUFBCJ-NDBYEHHHSA-N 3 0 225.380 1.173 20 0 BDADRP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C2 ZINC000903474455 584776962 /nfs/dbraw/zinc/77/69/62/584776962.db2.gz MZUJQZWNWBJMRK-RQJABVFESA-N 3 0 237.391 1.045 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[NH2+]CCC23CCC3)C1 ZINC000903482448 584778826 /nfs/dbraw/zinc/77/88/26/584778826.db2.gz IFRIIYWBZISACB-QWHCGFSZSA-N 3 0 237.391 1.332 20 0 BDADRP C(C[C@H]1CC[NH2+]C1)[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903483053 584779015 /nfs/dbraw/zinc/77/90/15/584779015.db2.gz BYOVMUOYABBPAL-OLZOCXBDSA-N 3 0 237.391 1.250 20 0 BDADRP C[C@H]1OCC[C@H]1C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903498856 584780136 /nfs/dbraw/zinc/78/01/36/584780136.db2.gz LRQMDRSDHQOLJI-LPWJVIDDSA-N 2 0 226.364 1.328 20 0 BDADRP [NH3+]CCC[N@@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000903491213 584780916 /nfs/dbraw/zinc/78/09/16/584780916.db2.gz ZIWUSLNTESUDNR-UONOGXRCSA-N 2 0 216.328 1.609 20 0 BDADRP [NH3+]CCOCC[N@@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000903491130 584781109 /nfs/dbraw/zinc/78/11/09/584781109.db2.gz WVNZGRSPHJFHFV-CABCVRRESA-N 2 0 246.354 1.235 20 0 BDADRP Cn1ccc([C@@H]2CCC[N@H+](C[C@H]3CC[NH2+]C3)C2)n1 ZINC000903564448 584781982 /nfs/dbraw/zinc/78/19/82/584781982.db2.gz VESXEJAJHDNAAO-QWHCGFSZSA-N 2 0 248.374 1.209 20 0 BDADRP C[NH2+]CCN(CCC1CC[NH2+]CC1)C(C)C ZINC000903573003 584783951 /nfs/dbraw/zinc/78/39/51/584783951.db2.gz LNWFCSKXOMQZMN-UHFFFAOYSA-N 2 0 227.396 1.306 20 0 BDADRP CC(C)[C@@](C)(C[NH3+])NC[C@@H]1CCCC[NH2+]C1 ZINC000903717720 584792323 /nfs/dbraw/zinc/79/23/23/584792323.db2.gz UIEJOJGOZWRRAZ-CHWSQXEVSA-N 2 0 227.396 1.339 20 0 BDADRP CC(C)[C@@H]([NH3+])CCN(C)C[C@@H]1CCCC[NH2+]C1 ZINC000903717158 584792351 /nfs/dbraw/zinc/79/23/51/584792351.db2.gz IDEPSATZMCOYEG-KGLIPLIRSA-N 2 0 241.423 1.681 20 0 BDADRP C[N@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CCC1 ZINC000903730071 584792910 /nfs/dbraw/zinc/79/29/10/584792910.db2.gz TXZPATWJVCBICZ-QWHCGFSZSA-N 2 0 224.348 1.239 20 0 BDADRP C[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903729255 584793003 /nfs/dbraw/zinc/79/30/03/584793003.db2.gz LKKPECOGYCNSCE-AGIUHOORSA-N 2 0 224.348 1.239 20 0 BDADRP C[C@@H]1CN(C[C@@H]2CCCC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000903715820 584794015 /nfs/dbraw/zinc/79/40/15/584794015.db2.gz AHDHOWXHVMLKHT-UPJWGTAASA-N 2 0 225.380 1.045 20 0 BDADRP C[C@@H]1CN(C[C@H]2CCCC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000903715815 584794203 /nfs/dbraw/zinc/79/42/03/584794203.db2.gz AHDHOWXHVMLKHT-AGIUHOORSA-N 2 0 225.380 1.045 20 0 BDADRP [NH3+]CC[C@H]1CCC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903747250 584794915 /nfs/dbraw/zinc/79/49/15/584794915.db2.gz QMBULJLJDSDCRQ-ZIAGYGMSSA-N 3 0 239.407 1.437 20 0 BDADRP C[C@@H]1CN(C[C@@H]2CCCC[NH2+]C2)[C@@H](C)C[N@@H+]1C ZINC000903752428 584795392 /nfs/dbraw/zinc/79/53/92/584795392.db2.gz NVSLYWLYIMTIPO-HZSPNIEDSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCN(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903744485 584796656 /nfs/dbraw/zinc/79/66/56/584796656.db2.gz TYJQUUQOMGZWGY-XQQFMLRXSA-N 2 0 225.380 1.045 20 0 BDADRP C[C@@H]1CCN(C[C@H]2CCCC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000903760150 584797551 /nfs/dbraw/zinc/79/75/51/584797551.db2.gz VFIAIARRAQOUAE-RDBSUJKOSA-N 2 0 239.407 1.293 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1NC[C@@H]1CCCC[NH2+]C1 ZINC000903762560 584797608 /nfs/dbraw/zinc/79/76/08/584797608.db2.gz AHOIFLTWBSNEAX-JHJVBQTASA-N 2 0 225.380 1.236 20 0 BDADRP C[N@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)C(C)(C)C ZINC000903763454 584797611 /nfs/dbraw/zinc/79/76/11/584797611.db2.gz KAHQFSZNWMAPRL-YPMHNXCESA-N 2 0 226.364 1.485 20 0 BDADRP CC12CC(C1)C[N@@H+]2C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903769317 584798133 /nfs/dbraw/zinc/79/81/33/584798133.db2.gz CKMCBUOHYYLXEJ-YIOUJQMASA-N 2 0 236.359 1.239 20 0 BDADRP C[NH2+]C[C@H]1CCCCN1C[C@H]1CCCC[NH2+]C1 ZINC000903783355 584800291 /nfs/dbraw/zinc/80/02/91/584800291.db2.gz WYPBTDCBXPBYFC-UONOGXRCSA-N 2 0 239.407 1.450 20 0 BDADRP COCC[N@@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903815583 584800612 /nfs/dbraw/zinc/80/06/12/584800612.db2.gz RPNJBIZHFIWVSJ-LBPRGKRZSA-N 2 0 226.364 1.616 20 0 BDADRP C[C@]12C[N@H+](CCOCC[NH3+])C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000903827310 584805072 /nfs/dbraw/zinc/80/50/72/584805072.db2.gz RQAHTWVIYHWGNA-RFQIPJPRSA-N 2 0 236.359 1.106 20 0 BDADRP C[C@@H]1CCOCC[N@@H+]1CCCCCC[NH3+] ZINC000903831432 584805948 /nfs/dbraw/zinc/80/59/48/584805948.db2.gz JUKBZPUUXCTGNC-GFCCVEGCSA-N 2 0 214.353 1.616 20 0 BDADRP C[C@H]1CCOCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000903832907 584805961 /nfs/dbraw/zinc/80/59/61/584805961.db2.gz SQAVLGHHVLSWLP-LBPRGKRZSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@H]1CCOCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000903831665 584806064 /nfs/dbraw/zinc/80/60/64/584806064.db2.gz MCMAOULHDKYATA-RYUDHWBXSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCCSC[C@H]1C ZINC000903832868 584806069 /nfs/dbraw/zinc/80/60/69/584806069.db2.gz SDSMDSTYSMQLCE-UTUOFQBUSA-N 2 0 228.405 1.669 20 0 BDADRP NC[C@@]12CC[C@H]1CC[N@@H+]2CCCCCCC[NH3+] ZINC000903856639 584808542 /nfs/dbraw/zinc/80/85/42/584808542.db2.gz AWRVPLXTJXSQGR-KBPBESRZSA-N 3 0 239.407 1.709 20 0 BDADRP CC(C)OCCC[N@@H+]1CC[C@H]2CC[C@@]21CN ZINC000903855580 584809042 /nfs/dbraw/zinc/80/90/42/584809042.db2.gz NOOUTOZYILMYCK-CHWSQXEVSA-N 2 0 226.364 1.615 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903859812 584811005 /nfs/dbraw/zinc/81/10/05/584811005.db2.gz OTVMNKJWJUVDKG-KBPBESRZSA-N 2 0 239.407 1.532 20 0 BDADRP CCCCN(CCOC)C[C@@H]([NH3+])CC(F)F ZINC000903891808 584813868 /nfs/dbraw/zinc/81/38/68/584813868.db2.gz DJOWIPCTZVMJQN-JTQLQIEISA-N 2 0 238.322 1.717 20 0 BDADRP OCCC[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000903892068 584815866 /nfs/dbraw/zinc/81/58/66/584815866.db2.gz GPRUVXJZFPLHGV-YHWZYXNKSA-N 2 0 238.375 1.364 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCCN(C[C@@H]([NH3+])CC(F)F)C1 ZINC000903874035 584815933 /nfs/dbraw/zinc/81/59/33/584815933.db2.gz QXNIQDSYXIHCNK-GUBZILKMSA-N 2 0 235.322 1.028 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCCN(C[C@H]([NH3+])CC(F)F)C1 ZINC000903874036 584816032 /nfs/dbraw/zinc/81/60/32/584816032.db2.gz QXNIQDSYXIHCNK-IVZWLZJFSA-N 2 0 235.322 1.028 20 0 BDADRP [NH3+]CCC[N@@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000903875949 584816368 /nfs/dbraw/zinc/81/63/68/584816368.db2.gz UOANOEHQCYLEHK-OLZOCXBDSA-N 2 0 226.364 1.474 20 0 BDADRP CCC[N@H+](CCO)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903877351 584816613 /nfs/dbraw/zinc/81/66/13/584816613.db2.gz MVDYSUWXTXENNS-YHWZYXNKSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@]1(C2CC2)COCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000903881615 584817827 /nfs/dbraw/zinc/81/78/27/584817827.db2.gz HWFLEHIOVUJSLV-GXTWGEPZSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@H]1CC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903885917 584819307 /nfs/dbraw/zinc/81/93/07/584819307.db2.gz LYMOUANEEFEYDR-RYUDHWBXSA-N 2 0 249.362 1.044 20 0 BDADRP CN(C[C@@H]([NH3+])CC(F)F)[C@@H](CO)C(C)(C)C ZINC000903898179 584819621 /nfs/dbraw/zinc/81/96/21/584819621.db2.gz LNFMTFQBLFCSDQ-IUCAKERBSA-N 2 0 238.322 1.308 20 0 BDADRP COCC(C)(C)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903898671 584820422 /nfs/dbraw/zinc/82/04/22/584820422.db2.gz NABVCLSLSJVVPT-UHFFFAOYSA-N 2 0 248.370 1.847 20 0 BDADRP [NH3+]C1CCC([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903906045 584820948 /nfs/dbraw/zinc/82/09/48/584820948.db2.gz RAPWEHRQVCVVEN-ZRRUAHMRSA-N 3 0 237.391 1.377 20 0 BDADRP [NH3+]CC[C@@H]1CCCN(C[C@H]([NH3+])CC(F)F)C1 ZINC000903905375 584821262 /nfs/dbraw/zinc/82/12/62/584821262.db2.gz DDSLUXZEOVSUTI-VHSXEESVSA-N 2 0 235.322 1.030 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC000903920403 584823143 /nfs/dbraw/zinc/82/31/43/584823143.db2.gz UPWIWZKKMSGTJM-FJCXZIGKSA-N 3 0 237.391 1.247 20 0 BDADRP CC1(C)C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1 ZINC000903919944 584823235 /nfs/dbraw/zinc/82/32/35/584823235.db2.gz QLPQNHCCCPOWQK-YHWZYXNKSA-N 2 0 237.391 1.201 20 0 BDADRP N[C@@H](C[NH2+]CCC[C@@H]1CCC[NH2+]1)CC(F)F ZINC000903920968 584823262 /nfs/dbraw/zinc/82/32/62/584823262.db2.gz YXBGYKJQEKBNKF-NXEZZACHSA-N 2 0 235.322 1.091 20 0 BDADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903919630 584823320 /nfs/dbraw/zinc/82/33/20/584823320.db2.gz OZNMBEGMKWHCKM-DCAQKATOSA-N 3 0 249.349 1.324 20 0 BDADRP CC[C@@H](C)[NH2+]C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903925894 584823674 /nfs/dbraw/zinc/82/36/74/584823674.db2.gz ISYADHQOKFTSGL-ZYHUDNBSSA-N 2 0 238.379 1.234 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903930076 584824142 /nfs/dbraw/zinc/82/41/42/584824142.db2.gz RJCRKKULBYXHBC-PBYDBYKOSA-N 3 0 225.380 1.232 20 0 BDADRP c1cn(CCC[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000903927524 584824327 /nfs/dbraw/zinc/82/43/27/584824327.db2.gz ZLRRESMOHLHRSO-AGUYFDCRSA-N 2 0 248.374 1.393 20 0 BDADRP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903934012 584825260 /nfs/dbraw/zinc/82/52/60/584825260.db2.gz YWCVWBGVZOPFFJ-HKJOBYGYSA-N 2 0 249.402 1.330 20 0 BDADRP C[C@@H](C[NH2+]C[C@@H]([NH3+])CC(F)F)c1ccncc1 ZINC000903935512 584825633 /nfs/dbraw/zinc/82/56/33/584825633.db2.gz QVOZZYQXCNBYAX-ONGXEEELSA-N 2 0 243.301 1.757 20 0 BDADRP [NH3+][C@H](CC(F)F)CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000903916276 584826783 /nfs/dbraw/zinc/82/67/83/584826783.db2.gz GNIUNJRWSVKPQB-PWSUYJOCSA-N 2 0 247.333 1.044 20 0 BDADRP CC(C)C[C@@H](CN)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918302 584826784 /nfs/dbraw/zinc/82/67/84/584826784.db2.gz WMHRJUHGRLSHFN-GSPSYOTPSA-N 2 0 239.407 1.480 20 0 BDADRP [NH3+][C@@H](CNCC1([NH3+])CCCCC1)CC(F)F ZINC000903918111 584826953 /nfs/dbraw/zinc/82/69/53/584826953.db2.gz SIZSJXXBBLFRPD-SECBINFHSA-N 2 0 235.322 1.220 20 0 BDADRP CC(C)[C@@H]1C[C@@H]([NH2+]CCC(C)(C)[NH3+])CCO1 ZINC000903938714 584827096 /nfs/dbraw/zinc/82/70/96/584827096.db2.gz IBBKDROAULCRSO-RYUDHWBXSA-N 2 0 228.380 1.907 20 0 BDADRP [NH3+][C@@H](CNC[C@@H]([NH3+])CC(F)F)c1ccccc1 ZINC000903918046 584827165 /nfs/dbraw/zinc/82/71/65/584827165.db2.gz QYPUHQUBVTYHMG-QWRGUYRKSA-N 2 0 243.301 1.259 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cnc3cnccn23)C1 ZINC000903959452 584827368 /nfs/dbraw/zinc/82/73/68/584827368.db2.gz IGQPOMKXBMWBSN-QWRGUYRKSA-N 2 0 245.330 1.089 20 0 BDADRP CC(C)([NH3+])CN1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903959694 584827624 /nfs/dbraw/zinc/82/76/24/584827624.db2.gz MLONMNJMPAHJDS-ZDUSSCGKSA-N 2 0 225.380 1.189 20 0 BDADRP CC(C)C[C@@H]([NH3+])CNCc1cc(N)cc[nH+]1 ZINC000903953343 584831174 /nfs/dbraw/zinc/83/11/74/584831174.db2.gz DCNGGQKROLYLTQ-LLVKDONJSA-N 2 0 222.336 1.127 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)NCc1cc(N)cc[nH+]1 ZINC000903953868 584831714 /nfs/dbraw/zinc/83/17/14/584831714.db2.gz MIJWJBGOBPMNRI-PWSUYJOCSA-N 2 0 234.347 1.284 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H](NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000903955962 584832332 /nfs/dbraw/zinc/83/23/32/584832332.db2.gz DDTYMQYQDBCSMD-HBNTYKKESA-N 2 0 247.333 1.091 20 0 BDADRP Cc1ccc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)nc1 ZINC000903973379 584832747 /nfs/dbraw/zinc/83/27/47/584832747.db2.gz AZGTZZMKBKLNDA-CHWSQXEVSA-N 2 0 233.359 1.725 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C[C@H]1CC[NH3+] ZINC000903978134 584833138 /nfs/dbraw/zinc/83/31/38/584833138.db2.gz GDWZHMKFOIGJCM-ZOBORPQBSA-N 3 0 239.407 1.291 20 0 BDADRP COCC(C)(C)C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903978758 584833183 /nfs/dbraw/zinc/83/31/83/584833183.db2.gz LQHYVSWTKOOQNT-VXGBXAGGSA-N 2 0 228.380 1.494 20 0 BDADRP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000903964282 584834268 /nfs/dbraw/zinc/83/42/68/584834268.db2.gz HQYSUQRHAJBPGV-YPMHNXCESA-N 2 0 234.343 1.640 20 0 BDADRP CC[C@H]1C[C@@H](C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000903965190 584834455 /nfs/dbraw/zinc/83/44/55/584834455.db2.gz ZPCULRMNURZOKM-RFGFWPKPSA-N 2 0 240.391 1.637 20 0 BDADRP CCC[NH+]1CCC(N[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903964906 584834772 /nfs/dbraw/zinc/83/47/72/584834772.db2.gz XXBKVTNXRLYENX-DGCLKSJQSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1Cc2ccccc2C1 ZINC000903967741 584834952 /nfs/dbraw/zinc/83/49/52/584834952.db2.gz MSMFNJGRBKWMDG-RISCZKNCSA-N 2 0 230.355 1.599 20 0 BDADRP C[C@@H]1CCCN(Cc2ccc(C[NH3+])cc2)[C@H]1C[NH3+] ZINC000904299402 584860383 /nfs/dbraw/zinc/86/03/83/584860383.db2.gz CIIPMJBOAPRUQD-DOMZBBRYSA-N 2 0 247.386 1.705 20 0 BDADRP C[C@@H]1CCCN(Cc2ccc(C[NH3+])cc2)[C@@H]1C[NH3+] ZINC000904299404 584860536 /nfs/dbraw/zinc/86/05/36/584860536.db2.gz CIIPMJBOAPRUQD-IUODEOHRSA-N 2 0 247.386 1.705 20 0 BDADRP C[NH2+]C[C@H]1CCN(C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC000904299625 584860558 /nfs/dbraw/zinc/86/05/58/584860558.db2.gz JXPZPCBQKQBIPM-CHWSQXEVSA-N 2 0 241.423 1.681 20 0 BDADRP C[NH2+]CC1CC[NH+](Cc2ccc(C[NH3+])cc2)CC1 ZINC000904299908 584860793 /nfs/dbraw/zinc/86/07/93/584860793.db2.gz REENPFAEWGFSHM-UHFFFAOYSA-N 3 0 247.386 1.577 20 0 BDADRP C[C@H]1CN(C[C@@H]([NH3+])CCC(C)(C)C)CC[NH2+]1 ZINC000904299516 584860900 /nfs/dbraw/zinc/86/09/00/584860900.db2.gz GKHWETXXFWJMEC-RYUDHWBXSA-N 2 0 227.396 1.434 20 0 BDADRP [NH3+]Cc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC000904299511 584860945 /nfs/dbraw/zinc/86/09/45/584860945.db2.gz GGKCLJRYODHSRS-UHFFFAOYSA-N 3 0 233.359 1.316 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000904300251 584861374 /nfs/dbraw/zinc/86/13/74/584861374.db2.gz ZXEAVYRDKBBRQT-YUTCNCBUSA-N 3 0 237.391 1.188 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccc(C[NH3+])cc2)CC[C@@H]1[NH3+] ZINC000904300198 584861439 /nfs/dbraw/zinc/86/14/39/584861439.db2.gz YRFITZKYCKYYMQ-FZMZJTMJSA-N 3 0 233.359 1.314 20 0 BDADRP CC[C@@H]1CN(C[C@]2(C)CCC[NH2+]C2)CC[C@H]1[NH3+] ZINC000904301091 584861597 /nfs/dbraw/zinc/86/15/97/584861597.db2.gz GKMKHYDNQMREJE-MGPQQGTHSA-N 3 0 239.407 1.435 20 0 BDADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@H]1C[C@@H]([NH3+])C1 ZINC000904302354 584861879 /nfs/dbraw/zinc/86/18/79/584861879.db2.gz VAZFBDJDGNPNOG-NLCNOVPZSA-N 2 0 223.364 1.068 20 0 BDADRP Cn1cccc1[C@H]1CCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904303737 584861981 /nfs/dbraw/zinc/86/19/81/584861981.db2.gz FNZPQWABDYDEPZ-MBNYWOFBSA-N 2 0 233.359 1.899 20 0 BDADRP CC[NH+]1CCN(C[C@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904302880 584862010 /nfs/dbraw/zinc/86/20/10/584862010.db2.gz YHRFHHBRUZZTED-CYBMUJFWSA-N 2 0 241.423 1.778 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@H+](C[C@@H]2CCOC2)C2CC2)C1 ZINC000904307613 584862542 /nfs/dbraw/zinc/86/25/42/584862542.db2.gz SJMHLLFZJGEZBG-SDDRHHMPSA-N 2 0 224.348 1.225 20 0 BDADRP C[C@H](O)C[N@@H+](Cc1ccccc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904311866 584862552 /nfs/dbraw/zinc/86/25/52/584862552.db2.gz JJVREEKKBMRNFL-AEGPPILISA-N 2 0 248.370 1.607 20 0 BDADRP Cc1noc(C)c1C[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904311842 584863025 /nfs/dbraw/zinc/86/30/25/584863025.db2.gz IIXZRNWPEWZEKW-PHIMTYICSA-N 2 0 223.320 1.461 20 0 BDADRP C[C@@]1(C[N@H+](CCCCO)C2CC2)CCC[NH2+]C1 ZINC000904321378 584864359 /nfs/dbraw/zinc/86/43/59/584864359.db2.gz YDZWOXLVLCHIGV-CQSZACIVSA-N 2 0 240.391 1.613 20 0 BDADRP CC(C)[C@H]1CN(C[C@@]2(C)CCC[NH2+]C2)CC[NH2+]1 ZINC000904334232 584866552 /nfs/dbraw/zinc/86/65/52/584866552.db2.gz PSNVLZOUBWIGHK-KGLIPLIRSA-N 2 0 239.407 1.306 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])C[NH2+]C1CCC([NH3+])CC1 ZINC000904333763 584866743 /nfs/dbraw/zinc/86/67/43/584866743.db2.gz FOEVAJKAFYFORI-CPCZMJQVSA-N 3 0 241.423 2.000 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)C1 ZINC000904343500 584867643 /nfs/dbraw/zinc/86/76/43/584867643.db2.gz UPIFMSILMBAWOL-ZDEQEGDKSA-N 2 0 224.348 1.082 20 0 BDADRP CCC[C@]1(CO)CCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904345869 584868389 /nfs/dbraw/zinc/86/83/89/584868389.db2.gz KRFHSTKFJFZBBV-FRRDWIJNSA-N 2 0 226.364 1.351 20 0 BDADRP CCC([NH3+])(CC)CNC[C@]1(C)CCC[NH2+]C1 ZINC000904350452 584868913 /nfs/dbraw/zinc/86/89/13/584868913.db2.gz LSDLHVVFTAUHSH-GFCCVEGCSA-N 2 0 227.396 1.483 20 0 BDADRP CCC([NH3+])(CC)CNC[C@@]1(C)CCC[NH2+]C1 ZINC000904350453 584869183 /nfs/dbraw/zinc/86/91/83/584869183.db2.gz LSDLHVVFTAUHSH-LBPRGKRZSA-N 2 0 227.396 1.483 20 0 BDADRP Cn1nccc1[C@@H]1CCCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904350943 584869308 /nfs/dbraw/zinc/86/93/08/584869308.db2.gz RTKFDNMHHZWHOB-SCRDCRAPSA-N 2 0 248.374 1.684 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CNC[C@H]([NH3+])C1CC1 ZINC000904354546 584870219 /nfs/dbraw/zinc/87/02/19/584870219.db2.gz CCXVELUJWLDGOG-NEPJUHHUSA-N 2 0 227.396 1.467 20 0 BDADRP CC[NH2+]Cc1cccc(NC[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000904353619 584870238 /nfs/dbraw/zinc/87/02/38/584870238.db2.gz OUTVDQYXNZZCEW-BETUJISGSA-N 2 0 233.359 1.945 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000904354506 584870401 /nfs/dbraw/zinc/87/04/01/584870401.db2.gz AJSVNNBXKNNBAY-AVGNSLFASA-N 2 0 241.423 2.000 20 0 BDADRP C[C@H](C[NH3+])NC[C@@H]([NH3+])CCC(C)(C)C ZINC000904355018 584870713 /nfs/dbraw/zinc/87/07/13/584870713.db2.gz JVDLXZDWOSBTSE-ZJUUUORDSA-N 2 0 201.358 1.077 20 0 BDADRP C[C@H](C[NH3+])NC[C@H]([NH3+])CCC(C)(C)C ZINC000904355015 584870737 /nfs/dbraw/zinc/87/07/37/584870737.db2.gz JVDLXZDWOSBTSE-NXEZZACHSA-N 2 0 201.358 1.077 20 0 BDADRP CC[C@@H]([NH3+])CNC[C@@H]([NH3+])CCC(C)(C)C ZINC000904355056 584870898 /nfs/dbraw/zinc/87/08/98/584870898.db2.gz MIDQFPVDYXHOSQ-MNOVXSKESA-N 2 0 215.385 1.467 20 0 BDADRP CC1(C[NH2+]Cc2ccc(C[NH3+])cc2)CC[NH2+]CC1 ZINC000904355229 584870907 /nfs/dbraw/zinc/87/09/07/584870907.db2.gz LSKIJPCLFKESSU-UHFFFAOYSA-N 3 0 247.386 1.625 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]Cc1nccn1C1CC1 ZINC000904354892 584871005 /nfs/dbraw/zinc/87/10/05/584871005.db2.gz KRGHKZIDCIOCEK-JTQLQIEISA-N 2 0 222.336 1.435 20 0 BDADRP CCN1CCCC[C@@H]1C[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904362591 584872003 /nfs/dbraw/zinc/87/20/03/584872003.db2.gz OPGVQYYNOFCRBN-FRRDWIJNSA-N 2 0 225.380 1.188 20 0 BDADRP Cc1ccccc1C[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904360914 584872011 /nfs/dbraw/zinc/87/20/11/584872011.db2.gz RXTGFGMZJGTXGN-BJHJDKERSA-N 2 0 204.317 1.822 20 0 BDADRP [NH3+]CC1CC([NH2+]C[C@H](O)c2ccsc2)C1 ZINC000904361102 584872087 /nfs/dbraw/zinc/87/20/87/584872087.db2.gz VNLDPSWAYAXETP-RFBVYIQQSA-N 2 0 226.345 1.108 20 0 BDADRP [NH3+]CC1CC([NH2+][C@H]2COc3ccccc3C2)C1 ZINC000904362190 584872189 /nfs/dbraw/zinc/87/21/89/584872189.db2.gz HYHWCEVCFGDZAI-KGPNIALWSA-N 2 0 232.327 1.317 20 0 BDADRP CC1(C)CN(C[C@@]2(C)CCC[NH2+]C2)CC[NH2+]1 ZINC000904358607 584872346 /nfs/dbraw/zinc/87/23/46/584872346.db2.gz PWLITHWXMCGMJL-ZDUSSCGKSA-N 2 0 225.380 1.060 20 0 BDADRP COC(=O)C(C)(C)C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000904369122 584872907 /nfs/dbraw/zinc/87/29/07/584872907.db2.gz YPRUHVUPDRRQJL-CYBMUJFWSA-N 2 0 242.363 1.165 20 0 BDADRP C[C@@H]([NH2+]C1CC(C[NH3+])C1)c1cccc(O)c1 ZINC000904369430 584873047 /nfs/dbraw/zinc/87/30/47/584873047.db2.gz WFLJXTROJAKKNA-GRZMOONWSA-N 2 0 220.316 1.780 20 0 BDADRP [NH3+]CCN1CCC([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000904371851 584873078 /nfs/dbraw/zinc/87/30/78/584873078.db2.gz UUJCEHQFIAXIKY-KWCYVHTRSA-N 2 0 237.391 1.188 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC(c3ccncn3)CC2)C1 ZINC000904371204 584873432 /nfs/dbraw/zinc/87/34/32/584873432.db2.gz LBNTVCWMMFVKQK-BJHJDKERSA-N 2 0 246.358 1.393 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@H](c3cccnc3)C2)C1 ZINC000904373378 584873953 /nfs/dbraw/zinc/87/39/53/584873953.db2.gz DBCUUVZTJPIXBE-FPMFFAJLSA-N 2 0 231.343 1.608 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@H](C3CCC3)C2)C1 ZINC000904374067 584874102 /nfs/dbraw/zinc/87/41/02/584874102.db2.gz ZJLHTKQFLGMTNN-WCFLWFBJSA-N 2 0 208.349 1.846 20 0 BDADRP C[C@@]1(CN2CC[C@]3(CCC[NH2+]3)C2)CCC[NH2+]C1 ZINC000904373987 584874161 /nfs/dbraw/zinc/87/41/61/584874161.db2.gz XALXBOQQPNNFKV-ZIAGYGMSSA-N 2 0 237.391 1.204 20 0 BDADRP Cc1csc([C@H](C)[NH2+]C2CC(C[NH3+])C2)n1 ZINC000904365938 584874915 /nfs/dbraw/zinc/87/49/15/584874915.db2.gz CCWYNWMMEQZJFX-IDKOKCKLSA-N 2 0 225.361 1.839 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000904389169 584875579 /nfs/dbraw/zinc/87/55/79/584875579.db2.gz SKWSNGRGHOZAEM-MGPQQGTHSA-N 3 0 239.407 1.211 20 0 BDADRP Nc1cccc(C[NH2+]C[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000904377750 584875841 /nfs/dbraw/zinc/87/58/41/584875841.db2.gz YAFHCIVPFRMSQW-KLPPZKSPSA-N 2 0 205.305 1.096 20 0 BDADRP C[C@@]12COC[C@]1(C)C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904376859 584875920 /nfs/dbraw/zinc/87/59/20/584875920.db2.gz GKQSNBQXFNLFSH-MPZDIEGVSA-N 2 0 224.348 1.082 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+]C2CC(C[NH3+])C2)c(F)c1 ZINC000904376442 584876407 /nfs/dbraw/zinc/87/64/07/584876407.db2.gz SEPWPLSZFRZNHY-UHFFFAOYSA-N 3 0 237.322 1.111 20 0 BDADRP C[C@]12COC[C@H]1C[N@H+](C[C@@]1(C)CCC[NH2+]C1)C2 ZINC000904379814 584876633 /nfs/dbraw/zinc/87/66/33/584876633.db2.gz XWFZFFVFOUWFGU-RDBSUJKOSA-N 2 0 238.375 1.344 20 0 BDADRP C[C@@H]1CC[C@H](NC[C@H]([NH3+])CCC(C)(C)C)C[NH2+]1 ZINC000904381701 584877003 /nfs/dbraw/zinc/87/70/03/584877003.db2.gz RUJXPRKNMAEISV-UPJWGTAASA-N 2 0 241.423 1.870 20 0 BDADRP C[N@H+](CCCCCC[NH3+])C[C@@]1(C)CCC[NH2+]C1 ZINC000904383597 584877449 /nfs/dbraw/zinc/87/74/49/584877449.db2.gz CTGISRFDDOKKMX-AWEZNQCLSA-N 3 0 241.423 1.827 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)C1 ZINC000904385232 584877814 /nfs/dbraw/zinc/87/78/14/584877814.db2.gz VQDGRUBBFHWAKV-KKOKHZNYSA-N 2 0 226.389 1.409 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CN1C[C@H]([NH3+])C(C)(C)C1 ZINC000904388072 584877909 /nfs/dbraw/zinc/87/79/09/584877909.db2.gz BBSSSHYNKTZLHL-RYUDHWBXSA-N 2 0 241.423 1.809 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)CC[NH2+]1 ZINC000904410235 584879314 /nfs/dbraw/zinc/87/93/14/584879314.db2.gz MUUJLJBOKGZTPL-SYQHCUMBSA-N 3 0 239.407 1.291 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccn(C)c2)CC[C@H]1C[NH3+] ZINC000904409366 584879351 /nfs/dbraw/zinc/87/93/51/584879351.db2.gz AIDYLWFCBLKEBY-AAEUAGOBSA-N 2 0 221.348 1.442 20 0 BDADRP Cc1ncsc1C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000904412402 584879522 /nfs/dbraw/zinc/87/95/22/584879522.db2.gz VHSVDSQSNCJDTO-GXSJLCMTSA-N 2 0 239.388 1.868 20 0 BDADRP CCn1ccnc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000904412674 584879543 /nfs/dbraw/zinc/87/95/43/584879543.db2.gz WBSWLOUWKMDOSK-RYUDHWBXSA-N 2 0 236.363 1.320 20 0 BDADRP COC[C@H](C)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000904411320 584879680 /nfs/dbraw/zinc/87/96/80/584879680.db2.gz UMHHBDUGLWBDON-WOPDTQHZSA-N 2 0 214.353 1.186 20 0 BDADRP Cc1n[nH]cc1C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000904412325 584879743 /nfs/dbraw/zinc/87/97/43/584879743.db2.gz SCVUIHPXPRRHSU-KOLCDFICSA-N 2 0 222.336 1.135 20 0 BDADRP C[C@@H]1CCN[C@@H](C)[C@H]1[NH2+]CCCCCCC[NH3+] ZINC000842476879 584897913 /nfs/dbraw/zinc/89/79/13/584897913.db2.gz VKKKLURAHUVXHN-RDBSUJKOSA-N 2 0 241.423 1.872 20 0 BDADRP C[C@@H]1CCC[N@@H+]1CCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000817913696 584991174 /nfs/dbraw/zinc/99/11/74/584991174.db2.gz QUCNESMWVSAIAF-HZSPNIEDSA-N 2 0 239.407 1.720 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@](C)(O)c1ccsc1 ZINC000817913935 584991196 /nfs/dbraw/zinc/99/11/96/584991196.db2.gz RLZLJWQBOZDVDG-UMNHJUIQSA-N 2 0 242.388 1.671 20 0 BDADRP C[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc2c(c1)CCO2 ZINC000817965767 584993207 /nfs/dbraw/zinc/99/32/07/584993207.db2.gz UZICMJDGDQKVQL-SNVBAGLBSA-N 2 0 232.327 1.492 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2CC[C@H](OC)C2)C1 ZINC000821386130 585016041 /nfs/dbraw/zinc/01/60/41/585016041.db2.gz IWWLWPDNHFTZCL-MJBXVCDLSA-N 2 0 240.391 1.828 20 0 BDADRP COCC[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000361674979 585025162 /nfs/dbraw/zinc/02/51/62/585025162.db2.gz JBCWAYDKFXECLB-BFHYXJOUSA-N 2 0 240.391 1.828 20 0 BDADRP C[NH+](C)[C@H]1CCC[N@H+](C[C@@H](O)C2CC2)CC1 ZINC000838969439 585082775 /nfs/dbraw/zinc/08/27/75/585082775.db2.gz XTWVLXZLTDSGHB-QWHCGFSZSA-N 2 0 226.364 1.173 20 0 BDADRP C(C[NH+]1CCCC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000741753837 585117627 /nfs/dbraw/zinc/11/76/27/585117627.db2.gz CBKOAJDTYQDXSM-CQSZACIVSA-N 2 0 237.391 1.252 20 0 BDADRP Cc1cc(N2CCC[C@@H]([NH+](C)C)CC2)nc(N)[nH+]1 ZINC000758211827 585351880 /nfs/dbraw/zinc/35/18/80/585351880.db2.gz SXMSLZINGVEAPL-LLVKDONJSA-N 2 0 249.362 1.288 20 0 BDADRP C[N@H+](CCN1CCCC1)CC1CC[NH+](C)CC1 ZINC000760831561 585398286 /nfs/dbraw/zinc/39/82/86/585398286.db2.gz AFUGFHQQKNPZCH-UHFFFAOYSA-N 2 0 239.407 1.356 20 0 BDADRP C[C@@H]1CN(CC[C@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC000767586297 585522732 /nfs/dbraw/zinc/52/27/32/585522732.db2.gz GAHHHCYYVCZVJV-CHWSQXEVSA-N 2 0 225.380 1.107 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@@H](CCO)C1CC1 ZINC000771799068 585600488 /nfs/dbraw/zinc/60/04/88/585600488.db2.gz JEWRGIVRSVOHTM-KGLIPLIRSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@H](O)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000776522072 585700086 /nfs/dbraw/zinc/70/00/86/585700086.db2.gz ZEVSIWMVDVCCJG-LBPRGKRZSA-N 2 0 236.359 1.561 20 0 BDADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)CCO)C1 ZINC000779346092 585752221 /nfs/dbraw/zinc/75/22/21/585752221.db2.gz UHNSWFLGDFINJL-CHWSQXEVSA-N 2 0 228.380 1.467 20 0 BDADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CC[C@@H]2C)CC1 ZINC000783250224 585832137 /nfs/dbraw/zinc/83/21/37/585832137.db2.gz WRVFOFJDUCYYJV-QWHCGFSZSA-N 2 0 240.391 1.610 20 0 BDADRP CC[C@@](C)(CC(=O)OC)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000843069841 585943758 /nfs/dbraw/zinc/94/37/58/585943758.db2.gz STCHYEOAALNZCV-YPMHNXCESA-N 2 0 242.363 1.307 20 0 BDADRP CSCC[C@@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000817896626 586831383 /nfs/dbraw/zinc/83/13/83/586831383.db2.gz MKOBGKNOAKEIGD-OUAUKWLOSA-N 2 0 216.394 1.858 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCOc1cccnc1 ZINC000817891828 586832394 /nfs/dbraw/zinc/83/23/94/586832394.db2.gz HPVDKHYASUEZOD-QWRGUYRKSA-N 2 0 223.320 1.176 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCOc1cccnc1 ZINC000817891809 586832665 /nfs/dbraw/zinc/83/26/65/586832665.db2.gz HJCZYSBYANPYFS-ZIAGYGMSSA-N 2 0 249.358 1.710 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1COc2ccccc2C1 ZINC000817892648 586833035 /nfs/dbraw/zinc/83/30/35/586833035.db2.gz VWFSFBNPLMNDDX-YNEHKIRRSA-N 2 0 248.370 1.953 20 0 BDADRP Cc1ccc([C@H](O)C[NH2+][C@H](C)C[C@H](C)[NH3+])cc1 ZINC000817893312 586834144 /nfs/dbraw/zinc/83/41/44/586834144.db2.gz RBFMTAFRCZXUAQ-OUCADQQQSA-N 2 0 236.359 1.744 20 0 BDADRP CSC(C)(C)C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000817898634 586835347 /nfs/dbraw/zinc/83/53/47/586835347.db2.gz IKTDKELPHVPBRW-BDAKNGLRSA-N 2 0 204.383 1.843 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCc1ccc(Cl)nc1 ZINC000817902281 586835764 /nfs/dbraw/zinc/83/57/64/586835764.db2.gz MGWGVXCRMFCFIR-MNOVXSKESA-N 2 0 239.750 1.747 20 0 BDADRP C[C@](O)(C[NH2+][C@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000817912139 586837950 /nfs/dbraw/zinc/83/79/50/586837950.db2.gz FOMQOROPPNJEAR-QEJZJMRPSA-N 2 0 248.370 1.611 20 0 BDADRP C[C@](O)(C[NH2+][C@@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000817912138 586838142 /nfs/dbraw/zinc/83/81/42/586838142.db2.gz FOMQOROPPNJEAR-CFVMTHIKSA-N 2 0 248.370 1.611 20 0 BDADRP C[C@H](CN[C@H]1C[NH2+]CC[C@H]1C)[NH+]1CCCCC1 ZINC000817913145 586838289 /nfs/dbraw/zinc/83/82/89/586838289.db2.gz FYRULMNWGPEFRZ-MCIONIFRSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H]1CCC[N@@H+]1CCN[C@H]1C[NH2+]CC[C@H]1C ZINC000817912270 586838455 /nfs/dbraw/zinc/83/84/55/586838455.db2.gz FTLFXAUBJNLQTB-AGIUHOORSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@](O)(C[NH2+][C@@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000817911408 586838514 /nfs/dbraw/zinc/83/85/14/586838514.db2.gz AEBQCEIYPGCQGJ-MJBXVCDLSA-N 2 0 234.343 1.364 20 0 BDADRP C[C@@H]1CCC[N@@H+]1CCN[C@H]1CCCC[C@H]1C[NH3+] ZINC000817914726 586838972 /nfs/dbraw/zinc/83/89/72/586838972.db2.gz YGNRHIPSVMYXOI-RDBSUJKOSA-N 2 0 239.407 1.578 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H](CCO)C2CC2)c2ccccc21 ZINC000817917783 586840755 /nfs/dbraw/zinc/84/07/55/586840755.db2.gz HTXSFSIJCBWTCK-KFWWJZLASA-N 2 0 246.354 1.882 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@H]1CCC=CO1 ZINC000817924716 586841160 /nfs/dbraw/zinc/84/11/60/586841160.db2.gz VGVGKNHYVAFIOT-JHJVBQTASA-N 2 0 224.348 1.929 20 0 BDADRP [NH3+]CC1CCC([NH2+]Cc2cccnc2F)CC1 ZINC000817927437 586841286 /nfs/dbraw/zinc/84/12/86/586841286.db2.gz KUGAPNLCUSXUIX-UHFFFAOYSA-N 2 0 237.322 1.828 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1CCC=CO1 ZINC000817924871 586841777 /nfs/dbraw/zinc/84/17/77/586841777.db2.gz ZPQOUIAKIIOGDZ-JHJVBQTASA-N 2 0 224.348 1.657 20 0 BDADRP CCc1ccc([C@H](O)C[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000817929269 586841896 /nfs/dbraw/zinc/84/18/96/586841896.db2.gz LSORZKOKMYOVRG-IAQYHMDHSA-N 2 0 248.370 1.480 20 0 BDADRP CCc1nc(C[NH2+][C@H](C)CCCC[NH3+])co1 ZINC000817937738 586843998 /nfs/dbraw/zinc/84/39/98/586843998.db2.gz VSBKXDQESPCESY-SNVBAGLBSA-N 2 0 225.336 1.844 20 0 BDADRP Cc1ccc2c(c1)CC[C@H]2[NH2+]CCC[NH3+] ZINC000817938053 586844361 /nfs/dbraw/zinc/84/43/61/586844361.db2.gz CLLAZOFVVFYFOF-CYBMUJFWSA-N 2 0 204.317 1.921 20 0 BDADRP C[C@@H](NCc1ccc(CC[NH3+])cc1)[C@H]1CCC[NH2+]1 ZINC000817947561 586846773 /nfs/dbraw/zinc/84/67/73/586846773.db2.gz ATDCCDFTDDRXNR-IUODEOHRSA-N 2 0 247.386 1.418 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817947220 586846792 /nfs/dbraw/zinc/84/67/92/586846792.db2.gz ALGUYMZXLXODMC-VXGBXAGGSA-N 2 0 236.359 1.701 20 0 BDADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(CC[NH3+])cc2)CCO1 ZINC000817948774 586846938 /nfs/dbraw/zinc/84/69/38/586846938.db2.gz LKFSOGINAJBZID-SWLSCSKDSA-N 2 0 248.370 1.845 20 0 BDADRP [NH3+]CCc1ccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000817949138 586847264 /nfs/dbraw/zinc/84/72/64/586847264.db2.gz OGZXOVOZEZBCML-LSDHHAIUSA-N 3 0 247.386 1.405 20 0 BDADRP c1[nH]nc2c1[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)CCC2 ZINC000817955591 586850036 /nfs/dbraw/zinc/85/00/36/586850036.db2.gz ZNIFEBXCLQJPGR-CMPLNLGQSA-N 2 0 234.347 1.376 20 0 BDADRP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc2c(c1)CCO2 ZINC000817962653 586853056 /nfs/dbraw/zinc/85/30/56/586853056.db2.gz MZNCAFZJRURVSV-WDEREUQCSA-N 2 0 234.343 1.867 20 0 BDADRP C[C@H](CSC(C)(C)C)[NH2+]CC1C[NH2+]C1 ZINC000817965220 586853981 /nfs/dbraw/zinc/85/39/81/586853981.db2.gz NYGQAEQHVWNJKE-SECBINFHSA-N 2 0 216.394 1.716 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+]C1CCC2(CC1)OCCO2 ZINC000817973779 586860479 /nfs/dbraw/zinc/86/04/79/586860479.db2.gz WJJDCKLVAKFDOF-LLVKDONJSA-N 2 0 242.363 1.260 20 0 BDADRP c1[nH]nc2c1[C@@H]([NH2+]CCC1=CC[NH2+]CC1)CCC2 ZINC000817986558 586862901 /nfs/dbraw/zinc/86/29/01/586862901.db2.gz RQVQXRMQHKUZDF-ZDUSSCGKSA-N 2 0 246.358 1.687 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCCCCCO ZINC000818340006 586887124 /nfs/dbraw/zinc/88/71/24/586887124.db2.gz HICWSTIZNHEBBZ-VXGBXAGGSA-N 2 0 214.353 1.399 20 0 BDADRP CN(C(=O)c1cccc(C[NH3+])c1)C1(C[NH3+])CCC1 ZINC000818597568 586904761 /nfs/dbraw/zinc/90/47/61/586904761.db2.gz YNSXRIJMKPCFCP-UHFFFAOYSA-N 2 0 247.342 1.099 20 0 BDADRP O[C@H](C[NH2+]CCCCC[NH+]1CCCC1)C1CC1 ZINC000819334070 586953040 /nfs/dbraw/zinc/95/30/40/586953040.db2.gz UMUIMLGXSNVQHT-CQSZACIVSA-N 2 0 240.391 1.613 20 0 BDADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)C2CC2)C1 ZINC000819365993 586957943 /nfs/dbraw/zinc/95/79/43/586957943.db2.gz GJOSNCGZYUYPDO-AAEUAGOBSA-N 2 0 226.364 1.079 20 0 BDADRP CO[C@H]1CC[C@@H]([N@H+](C)CCCn2ccnc2)C1 ZINC000821396745 587116579 /nfs/dbraw/zinc/11/65/79/587116579.db2.gz UVKHZHIPGREVRE-OLZOCXBDSA-N 2 0 237.347 1.773 20 0 BDADRP OC[C@@H]([C@@H]([NH2+]Cc1cnc[nH]1)C1CC1)C1CC1 ZINC000831653802 587626775 /nfs/dbraw/zinc/62/67/75/587626775.db2.gz ABZRLRJUNZPAIE-OLZOCXBDSA-N 2 0 235.331 1.296 20 0 BDADRP CCCCCC[N@H+](C)CC(=O)N(C)CC[NH2+]C ZINC000834419715 587755007 /nfs/dbraw/zinc/75/50/07/587755007.db2.gz QNYJBMGZEUSFRT-UHFFFAOYSA-N 2 0 243.395 1.176 20 0 BDADRP C[C@H](CCC[NH3+])NC(=O)CCCCCC[NH3+] ZINC000834813581 587767447 /nfs/dbraw/zinc/76/74/47/587767447.db2.gz QSWCQKUJKLZYCJ-LLVKDONJSA-N 2 0 229.368 1.139 20 0 BDADRP C[C@H](CCO)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000840777915 587921296 /nfs/dbraw/zinc/92/12/96/587921296.db2.gz BLQVCEZMCUELQM-SNVBAGLBSA-N 2 0 219.288 1.195 20 0 BDADRP C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841031920 587936875 /nfs/dbraw/zinc/93/68/75/587936875.db2.gz BOSHSYOXLMZGJE-SMDDNHRTSA-N 2 0 234.343 1.455 20 0 BDADRP [NH3+]CCc1ccc(C[NH2+]C2CCC([NH3+])CC2)cc1 ZINC000841033249 587937149 /nfs/dbraw/zinc/93/71/49/587937149.db2.gz LWPFETKXIFRAJC-UHFFFAOYSA-N 3 0 247.386 1.547 20 0 BDADRP C[C@H]1OCC[C@H]1[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841031917 587937233 /nfs/dbraw/zinc/93/72/33/587937233.db2.gz BOSHSYOXLMZGJE-BXUZGUMPSA-N 2 0 234.343 1.455 20 0 BDADRP Clc1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)cn1 ZINC000841037011 587938196 /nfs/dbraw/zinc/93/81/96/587938196.db2.gz RKZYNZQJPADUJX-SNVBAGLBSA-N 2 0 239.750 1.824 20 0 BDADRP [NH3+]CCOc1ccc(NC2CCC([NH3+])CC2)cc1 ZINC000841054114 587939639 /nfs/dbraw/zinc/93/96/39/587939639.db2.gz GDLUVSMDZONYNS-UHFFFAOYSA-N 2 0 249.358 1.706 20 0 BDADRP [NH3+]CCOc1ccc(N[C@H]2CCC[NH2+]CC2)cc1 ZINC000841054177 587939914 /nfs/dbraw/zinc/93/99/14/587939914.db2.gz IMRXHISLUSFCGV-LBPRGKRZSA-N 2 0 249.358 1.578 20 0 BDADRP [NH3+]CCOc1ccc(NC2CC[NH2+]CC2)cc1 ZINC000841055877 587940705 /nfs/dbraw/zinc/94/07/05/587940705.db2.gz YYDOMTKJTIYWQK-UHFFFAOYSA-N 2 0 235.331 1.188 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000841072957 587942997 /nfs/dbraw/zinc/94/29/97/587942997.db2.gz SYOXTFNZEBVZRA-VLEAKVRGSA-N 2 0 246.445 1.693 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCCOC1 ZINC000841075741 587943937 /nfs/dbraw/zinc/94/39/37/587943937.db2.gz MRRQTSAFQDXSRH-IJLVLRJLSA-N 2 0 224.348 1.271 20 0 BDADRP Cc1nn(C)c(Cl)c1C[NH2+][C@H](C)CCC[NH3+] ZINC000841080032 587945030 /nfs/dbraw/zinc/94/50/30/587945030.db2.gz NCXHFSQSGBHSGW-MRVPVSSYSA-N 2 0 244.770 1.599 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000841848439 587977125 /nfs/dbraw/zinc/97/71/25/587977125.db2.gz LQPKKRQQOKNKDL-VOMCLLRMSA-N 2 0 241.379 1.103 20 0 BDADRP C[C@]1(CNC(=O)CCCCC[NH3+])CCC[NH2+]C1 ZINC000841849781 587977798 /nfs/dbraw/zinc/97/77/98/587977798.db2.gz LDMNSBWWTXQRQO-ZDUSSCGKSA-N 2 0 241.379 1.011 20 0 BDADRP CC(C)C[C@H](C[NH3+])NC(=O)c1cccc(C[NH3+])c1 ZINC000841848563 587977987 /nfs/dbraw/zinc/97/79/87/587977987.db2.gz MKJFKGWBKSKFQP-CYBMUJFWSA-N 2 0 249.358 1.249 20 0 BDADRP [NH3+]Cc1cccc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000841850725 587978355 /nfs/dbraw/zinc/97/83/55/587978355.db2.gz FGXXEJAGQPCJHL-QWHCGFSZSA-N 2 0 247.342 1.145 20 0 BDADRP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc3c(c2)COC3)C1 ZINC000843114951 588082650 /nfs/dbraw/zinc/08/26/50/588082650.db2.gz FISVCPVOZLGVRQ-HNNXBMFYSA-N 2 0 246.354 1.888 20 0 BDADRP COC[C@@H](C)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843119693 588083921 /nfs/dbraw/zinc/08/39/21/588083921.db2.gz CILOPWLQLCKRLQ-LBPRGKRZSA-N 2 0 226.364 1.344 20 0 BDADRP C[C@H]1C[NH2+]C[C@H](NCc2ccc(CC[NH3+])cc2)C1 ZINC000843125577 588084827 /nfs/dbraw/zinc/08/48/27/588084827.db2.gz CTEYINSSGPSAJK-IUODEOHRSA-N 2 0 247.386 1.275 20 0 BDADRP C[C@H]1OCC[C@H]1[NH2+]CCCCCC[NH3+] ZINC000843127874 588084941 /nfs/dbraw/zinc/08/49/41/588084941.db2.gz RPSHPBIXAFQRTR-GHMZBOCLSA-N 2 0 200.326 1.273 20 0 BDADRP C([NH2+][C@H]1CC[NH2+]C12CCCC2)[C@H]1CCCOC1 ZINC000843128355 588085197 /nfs/dbraw/zinc/08/51/97/588085197.db2.gz KHNQHIIWBXQQQS-OLZOCXBDSA-N 2 0 238.375 1.677 20 0 BDADRP Fc1ncccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000843339651 588100720 /nfs/dbraw/zinc/10/07/20/588100720.db2.gz CFLDXBRNCCZGSF-RAIGVLPGSA-N 2 0 249.333 1.698 20 0 BDADRP [NH3+]CCCCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000843340773 588100942 /nfs/dbraw/zinc/10/09/42/588100942.db2.gz DZZXIYXCGGLFDV-KBPBESRZSA-N 3 0 239.407 1.722 20 0 BDADRP C[C@@H]([NH2+]CCCCCC[NH3+])c1ncc[nH]1 ZINC000843340836 588101206 /nfs/dbraw/zinc/10/12/06/588101206.db2.gz FSFKVSYXDIXMHS-SNVBAGLBSA-N 2 0 210.325 1.579 20 0 BDADRP [NH3+]CCCCCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000843344113 588101336 /nfs/dbraw/zinc/10/13/36/588101336.db2.gz QWQXCOGEAMGTGG-STQMWFEESA-N 3 0 227.396 1.613 20 0 BDADRP [NH3+]CCCCCC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000843343655 588101593 /nfs/dbraw/zinc/10/15/93/588101593.db2.gz BUVJLDHPQDCFQB-OLZOCXBDSA-N 3 0 227.396 1.755 20 0 BDADRP C[C@@H]([NH2+]CCCCCC[NH3+])c1ccn(C)n1 ZINC000843344295 588101777 /nfs/dbraw/zinc/10/17/77/588101777.db2.gz UELVKRRXTCCOKG-LLVKDONJSA-N 2 0 224.352 1.590 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000843347724 588102656 /nfs/dbraw/zinc/10/26/56/588102656.db2.gz IULSNUFPYNJIAI-AWEZNQCLSA-N 3 0 239.407 1.437 20 0 BDADRP CCCCOC(=O)CC[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000843362617 588104322 /nfs/dbraw/zinc/10/43/22/588104322.db2.gz LENQZZPCENNHAH-RYUDHWBXSA-N 2 0 242.363 1.389 20 0 BDADRP CCCCOC(=O)CC[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000843365389 588104527 /nfs/dbraw/zinc/10/45/27/588104527.db2.gz GSCUMRDPJQXNLH-NEPJUHHUSA-N 2 0 242.363 1.389 20 0 BDADRP CCC[C@@H]1CNCC[N@@H+]1CCCCCCC[NH3+] ZINC000843365455 588104632 /nfs/dbraw/zinc/10/46/32/588104632.db2.gz JSGNUFIZJMAXJA-CQSZACIVSA-N 2 0 241.423 1.970 20 0 BDADRP CC(C)C[N@H+](C)CCC[NH2+]C[C@@H]1CCCOC1 ZINC000845996415 588252767 /nfs/dbraw/zinc/25/27/67/588252767.db2.gz OHRQDSBRUAQFSA-AWEZNQCLSA-N 2 0 242.407 1.981 20 0 BDADRP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)CCO ZINC000846178047 588259283 /nfs/dbraw/zinc/25/92/83/588259283.db2.gz SQYHQELRYGRTCM-GFCCVEGCSA-N 2 0 216.369 1.325 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCCCCC[NH3+])C1 ZINC000846217965 588260325 /nfs/dbraw/zinc/26/03/25/588260325.db2.gz PPGDIKDSEQDOLZ-CHWSQXEVSA-N 2 0 227.396 1.565 20 0 BDADRP [NH3+]CCCCCC[NH+]1CCC(C[NH3+])CC1 ZINC000846216673 588260470 /nfs/dbraw/zinc/26/04/70/588260470.db2.gz TWUARJVVFLHGFX-UHFFFAOYSA-N 3 0 213.369 1.176 20 0 BDADRP C[C@@H]1C[NH+](CCCCCC[NH3+])C[C@@H](C)N1 ZINC000846217362 588260550 /nfs/dbraw/zinc/26/05/50/588260550.db2.gz FMDKIQIFCNRABE-VXGBXAGGSA-N 2 0 213.369 1.188 20 0 BDADRP [NH3+]CCCCCCN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000846220419 588261263 /nfs/dbraw/zinc/26/12/63/588261263.db2.gz OSAZWKIGMDRBRT-CYBMUJFWSA-N 2 0 225.380 1.332 20 0 BDADRP C[N@H+](CCCCCC[NH3+])[C@@H](CN)C1CC1 ZINC000846221081 588261308 /nfs/dbraw/zinc/26/13/08/588261308.db2.gz RZCNDHROYAJEGB-LBPRGKRZSA-N 2 0 213.369 1.175 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCCCCC[NH3+])C1 ZINC000846220896 588261420 /nfs/dbraw/zinc/26/14/20/588261420.db2.gz XPTUDANFQFTLSA-NWDGAFQWSA-N 3 0 213.369 1.175 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](CCCCCC[NH3+])C1 ZINC000846221244 588261466 /nfs/dbraw/zinc/26/14/66/588261466.db2.gz VCKVHBBSFBFHMU-GFCCVEGCSA-N 2 0 213.369 1.176 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCCCCC[NH3+] ZINC000846708853 588283847 /nfs/dbraw/zinc/28/38/47/588283847.db2.gz WJTOGKXSMYJXMM-VXGBXAGGSA-N 3 0 213.369 1.317 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ncc[nH]1 ZINC000848558779 588397145 /nfs/dbraw/zinc/39/71/45/588397145.db2.gz SDDHSWXTSWXCIJ-MXWKQRLJSA-N 2 0 222.336 1.401 20 0 BDADRP Cc1ccccc1[C@H](O)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000848716966 588407893 /nfs/dbraw/zinc/40/78/93/588407893.db2.gz PFFBBGXBFUEPRP-UMVBOHGHSA-N 2 0 248.370 1.888 20 0 BDADRP Cc1ccccc1[C@H](O)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000848716962 588407917 /nfs/dbraw/zinc/40/79/17/588407917.db2.gz PFFBBGXBFUEPRP-GZBFAFLISA-N 2 0 248.370 1.888 20 0 BDADRP [NH3+]CCOc1ccc(N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000848714501 588408039 /nfs/dbraw/zinc/40/80/39/588408039.db2.gz CMHQHVZPXHXOCR-DGCLKSJQSA-N 2 0 249.358 1.706 20 0 BDADRP Cc1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)o1 ZINC000848719564 588408420 /nfs/dbraw/zinc/40/84/20/588408420.db2.gz JUDUSSFQUKHJLZ-IJLUTSLNSA-N 2 0 238.331 1.481 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H](CCO)C2CC2)C1 ZINC000848719921 588408676 /nfs/dbraw/zinc/40/86/76/588408676.db2.gz OUPDHIBETOWVNB-UTUOFQBUSA-N 2 0 212.337 1.007 20 0 BDADRP CC[C@H](C)NC(=[NH2+])NCC[NH+](CC)CC ZINC000848980641 588423718 /nfs/dbraw/zinc/42/37/18/588423718.db2.gz XWYBOEVQSGBXNU-JTQLQIEISA-N 2 0 214.357 1.241 20 0 BDADRP C[C@H]1CCCC[N@@H+]1CCCNC(=[NH2+])N1CCC1 ZINC000848982318 588424083 /nfs/dbraw/zinc/42/40/83/588424083.db2.gz FRBDNUKQIBPVDU-LBPRGKRZSA-N 2 0 238.379 1.481 20 0 BDADRP CC[C@@H](C)NC(=[NH2+])NCC[NH+]1CCCCC1 ZINC000848983133 588424582 /nfs/dbraw/zinc/42/45/82/588424582.db2.gz KFZIASKMEKJPKF-LLVKDONJSA-N 2 0 226.368 1.385 20 0 BDADRP CC[NH+](CC)[C@H](CNC(=[NH2+])NC)CC(C)C ZINC000848984012 588424746 /nfs/dbraw/zinc/42/47/46/588424746.db2.gz CVZIPWCLGUHGTK-NSHDSACASA-N 2 0 228.384 1.487 20 0 BDADRP CCNC(=[NH2+])NC[C@H](CC(C)C)[NH+](CC)CC ZINC000848984137 588424867 /nfs/dbraw/zinc/42/48/67/588424867.db2.gz RYRANPODLABTPI-LBPRGKRZSA-N 2 0 242.411 1.877 20 0 BDADRP CC[C@@H](CNC(=[NH2+])NC1CCC1)[NH+]1CCCC1 ZINC000848986328 588425574 /nfs/dbraw/zinc/42/55/74/588425574.db2.gz CLILDKALPYAPNL-LBPRGKRZSA-N 2 0 238.379 1.527 20 0 BDADRP C[NH+](C)CCCCNC(=[NH2+])N1CCCCC1 ZINC000848989967 588426615 /nfs/dbraw/zinc/42/66/15/588426615.db2.gz ORKDVJZMGHTHHO-UHFFFAOYSA-N 2 0 226.368 1.338 20 0 BDADRP CCCCNC(=[NH2+])NCC1CC[NH+](CC)CC1 ZINC000848996017 588428979 /nfs/dbraw/zinc/42/89/79/588428979.db2.gz AUMTZOOHBFWWKL-UHFFFAOYSA-N 2 0 240.395 1.632 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](CNC(=[NH2+])N(C)C2CC2)C1 ZINC000848996417 588429022 /nfs/dbraw/zinc/42/90/22/588429022.db2.gz RVVRBQFEIJECEF-NSHDSACASA-N 2 0 238.379 1.335 20 0 BDADRP C[NH+](C)CCCCCCCNC(=[NH2+])NC1CC1 ZINC000848998250 588430028 /nfs/dbraw/zinc/43/00/28/588430028.db2.gz KHDOLXNFWDTFRG-UHFFFAOYSA-N 2 0 240.395 1.775 20 0 BDADRP CC[C@H](C)NC(=[NH2+])NCC[N@H+](C)[C@@H](C)CC ZINC000849000981 588430810 /nfs/dbraw/zinc/43/08/10/588430810.db2.gz KRAUVPAJIOJJRL-QWRGUYRKSA-N 2 0 228.384 1.629 20 0 BDADRP CC[N@H+](CCNC(=[NH2+])NC1CCC1)C1CC1 ZINC000849001014 588430890 /nfs/dbraw/zinc/43/08/90/588430890.db2.gz OZEXPCZRIBJXMD-UHFFFAOYSA-N 2 0 224.352 1.137 20 0 BDADRP CCc1ccc(NC(=[NH2+])NCCN2CCC2)cc1 ZINC000849014606 588436417 /nfs/dbraw/zinc/43/64/17/588436417.db2.gz BGWMTDPIKPIDBJ-UHFFFAOYSA-N 2 0 246.358 1.891 20 0 BDADRP CCN(CC)C(=[NH2+])NCC1(C)CC[NH+](C)CC1 ZINC000849016617 588437019 /nfs/dbraw/zinc/43/70/19/588437019.db2.gz XIUQCWITSRMVDZ-UHFFFAOYSA-N 2 0 240.395 1.584 20 0 BDADRP CCCCNC(=[NH2+])NC[C@@H](C)C[NH+](C)C ZINC000849030023 588442337 /nfs/dbraw/zinc/44/23/37/588442337.db2.gz DGXOLHONJSGCOS-SNVBAGLBSA-N 2 0 214.357 1.098 20 0 BDADRP CCN(CC)C(=[NH2+])NCc1ccc2c[nH+]cn2c1 ZINC000849040338 588447668 /nfs/dbraw/zinc/44/76/68/588447668.db2.gz URTBGFYAXICADX-UHFFFAOYSA-N 2 0 245.330 1.700 20 0 BDADRP C[N@@H+]1CCC[C@@H](CCNC(=[NH2+])NC2CCC2)C1 ZINC000849041175 588447974 /nfs/dbraw/zinc/44/79/74/588447974.db2.gz MJDMUPXCPMELFE-NSHDSACASA-N 2 0 238.379 1.385 20 0 BDADRP CCN(CC)C(=[NH2+])NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000849048644 588451108 /nfs/dbraw/zinc/45/11/08/588451108.db2.gz FFZTVGBOXCKZQH-PHIMTYICSA-N 2 0 226.368 1.193 20 0 BDADRP FC(F)OCC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000852749320 588697081 /nfs/dbraw/zinc/69/70/81/588697081.db2.gz KNAAJUVRIGQYMJ-UHFFFAOYSA-N 2 0 234.290 1.301 20 0 BDADRP CO[C@@H](C[N@@H+]1CCC[C@@H](C[NH3+])C1)C1CCC1 ZINC000852743873 588698040 /nfs/dbraw/zinc/69/80/40/588698040.db2.gz MRJRCHCWRVDIOA-AAEUAGOBSA-N 2 0 226.364 1.472 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCOC(F)F)C1 ZINC000852741587 588698444 /nfs/dbraw/zinc/69/84/44/588698444.db2.gz WDYDVPWJNBUOQD-RKDXNWHRSA-N 2 0 222.279 1.285 20 0 BDADRP FC(F)OCC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000852750173 588699801 /nfs/dbraw/zinc/69/98/01/588699801.db2.gz XJDCTDSLOYMHNQ-MNOVXSKESA-N 2 0 248.317 1.547 20 0 BDADRP Cc1c(F)nccc1C[NH2+]CCCC[NH+](C)C ZINC000862274659 589198085 /nfs/dbraw/zinc/19/80/85/589198085.db2.gz RUIGRAVKNZDXQA-UHFFFAOYSA-N 2 0 239.338 1.961 20 0 BDADRP CCc1cccc(OCCN(C)C[C@@H](C)[NH3+])c1 ZINC000863567619 589299974 /nfs/dbraw/zinc/29/99/74/589299974.db2.gz WTWTYKIKMMKMTI-GFCCVEGCSA-N 2 0 236.359 1.907 20 0 BDADRP C[C@H]([NH3+])CN(C)CCCc1ccncc1 ZINC000863568442 589300080 /nfs/dbraw/zinc/30/00/80/589300080.db2.gz LYWJGRSUFBWYFD-NSHDSACASA-N 2 0 207.321 1.293 20 0 BDADRP FCC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000863576325 589301113 /nfs/dbraw/zinc/30/11/13/589301113.db2.gz QHNULGVKJVSCLD-GFCCVEGCSA-N 2 0 230.327 1.046 20 0 BDADRP Cn1ccc(C[NH2+]CCCCCC[NH3+])c1 ZINC000863642595 589306697 /nfs/dbraw/zinc/30/66/97/589306697.db2.gz SQQNEHDGFJCSKO-UHFFFAOYSA-N 2 0 209.337 1.634 20 0 BDADRP CC[C@H]1C[C@@H](C[N@H+](C)CCOCC[NH3+])CCO1 ZINC000863652178 589307432 /nfs/dbraw/zinc/30/74/32/589307432.db2.gz PGKHRXOXIOEBCX-STQMWFEESA-N 2 0 244.379 1.099 20 0 BDADRP CC[NH+](CC)CCCNC(=[NH2+])N[C@@H]1C[C@H]1C ZINC000864451540 589365015 /nfs/dbraw/zinc/36/50/15/589365015.db2.gz HLXNGOSGEJQVLR-GHMZBOCLSA-N 2 0 226.368 1.241 20 0 BDADRP CC[NH+]1CCC(CNC(=[NH2+])N[C@@H]2C[C@@H]2C)CC1 ZINC000864457590 589367368 /nfs/dbraw/zinc/36/73/68/589367368.db2.gz SXFRRBLYVJEVFI-CMPLNLGQSA-N 2 0 238.379 1.241 20 0 BDADRP CCC[N@H+](CC)CCNC(=[NH2+])N[C@H]1C[C@H]1C ZINC000864457115 589367373 /nfs/dbraw/zinc/36/73/73/589367373.db2.gz PBJLVKUSOYVWMI-MNOVXSKESA-N 2 0 226.368 1.241 20 0 BDADRP C[NH+](C)CCCC[NH2+]Cc1cn(C2CC2)cn1 ZINC000865436234 589435877 /nfs/dbraw/zinc/43/58/77/589435877.db2.gz YBPIRLTWDYBJPA-UHFFFAOYSA-N 2 0 236.363 1.649 20 0 BDADRP C[C@@H]1CN(C)C[C@H]1[NH2+]CC[C@@H]1CCCS1 ZINC000865724972 589458561 /nfs/dbraw/zinc/45/85/61/589458561.db2.gz OVXBQBFFOUIZKL-GRYCIOLGSA-N 2 0 228.405 1.812 20 0 BDADRP COC[C@H](C)[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000866583724 589501924 /nfs/dbraw/zinc/50/19/24/589501924.db2.gz LJNXWAJBIAZWMS-TUAOUCFPSA-N 2 0 212.337 1.047 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000866665090 589509480 /nfs/dbraw/zinc/50/94/80/589509480.db2.gz SPAMCXRPFUWDTO-IHRRRGAJSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@@H]1C[N@H+](CCCCCCC[NH3+])C[C@H]1C[NH3+] ZINC000866673826 589510681 /nfs/dbraw/zinc/51/06/81/589510681.db2.gz JLIVQHUICVRPJP-CHWSQXEVSA-N 3 0 227.396 1.422 20 0 BDADRP C1=CC[C@@H]2C[N@@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C[C@@H]2C1 ZINC000866701912 589513575 /nfs/dbraw/zinc/51/35/75/589513575.db2.gz RGVLHKWWNNIOOJ-MJBXVCDLSA-N 2 0 248.370 1.405 20 0 BDADRP C[NH2+]CCC[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000866703751 589513845 /nfs/dbraw/zinc/51/38/45/589513845.db2.gz LQEWNJLAVGMTNW-QWRGUYRKSA-N 2 0 214.378 1.281 20 0 BDADRP COC[C@@H](C)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866706212 589514163 /nfs/dbraw/zinc/51/41/63/589514163.db2.gz NGRBMERKKSLHGX-DGCLKSJQSA-N 2 0 228.380 1.718 20 0 BDADRP [NH3+]CCCCCCCN1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866724406 589515771 /nfs/dbraw/zinc/51/57/71/589515771.db2.gz KDAIEIWTHTWMMU-KBPBESRZSA-N 2 0 239.407 1.722 20 0 BDADRP C[C@H]([NH3+])C(=O)N1c2ccccc2[C@@H]([NH3+])C1(C)C ZINC000867992153 589542789 /nfs/dbraw/zinc/54/27/89/589542789.db2.gz XSYKGNWYAXKCGX-GZMMTYOYSA-N 2 0 233.315 1.159 20 0 BDADRP C[C@H]([NH3+])C(=O)N1c2ccccc2[C@H]([NH3+])C1(C)C ZINC000867992155 589542829 /nfs/dbraw/zinc/54/28/29/589542829.db2.gz XSYKGNWYAXKCGX-KWQFWETISA-N 2 0 233.315 1.159 20 0 BDADRP Cc1noc(C)c1[C@H](C)NCCC[NH+](C)C ZINC000122633824 589611362 /nfs/dbraw/zinc/61/13/62/589611362.db2.gz KSMHZWFNNKDENL-VIFPVBQESA-N 2 0 225.336 1.894 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000870987478 589706668 /nfs/dbraw/zinc/70/66/68/589706668.db2.gz JAIWMJXNUQNTSW-MFKMUULPSA-N 2 0 241.379 1.008 20 0 BDADRP C(=C/[C@@H]1CCC[NH2+]C1)\c1nc([C@H]2CCC[NH2+]2)no1 ZINC000871789472 589819139 /nfs/dbraw/zinc/81/91/39/589819139.db2.gz UWQWFQLBQWOKSP-PFDYWKIBSA-N 2 0 248.330 1.507 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CC3(CCC3)CO2)CC[C@@H]1[NH3+] ZINC000872141323 589882177 /nfs/dbraw/zinc/88/21/77/589882177.db2.gz FGNXFJAEWQQCEX-UPJWGTAASA-N 2 0 238.375 1.615 20 0 BDADRP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000872141812 589882442 /nfs/dbraw/zinc/88/24/42/589882442.db2.gz URENPENCVXGHOE-CHWSQXEVSA-N 2 0 240.391 1.909 20 0 BDADRP C[N@H+](CCCCCC[NH3+])CC1CC[NH2+]CC1 ZINC000872155250 589886585 /nfs/dbraw/zinc/88/65/85/589886585.db2.gz PCSISVLOYQMIEB-UHFFFAOYSA-N 3 0 227.396 1.437 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H]2CCCOC2)C1 ZINC000872250914 589900501 /nfs/dbraw/zinc/90/05/01/589900501.db2.gz DTBMGGZYWORNNG-NEPJUHHUSA-N 2 0 226.364 1.533 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H]2CCCOC2)C1 ZINC000872253018 589900673 /nfs/dbraw/zinc/90/06/73/589900673.db2.gz YOHHKWZKJDHUOJ-STQMWFEESA-N 2 0 240.391 1.781 20 0 BDADRP CC1(C)CC[NH2+]CCN1C(=O)CCCCC[NH3+] ZINC000872297191 589906991 /nfs/dbraw/zinc/90/69/91/589906991.db2.gz JFMZSPGKJQOLFP-UHFFFAOYSA-N 2 0 241.379 1.106 20 0 BDADRP C[C@@H](CNc1cc[nH+]cc1C1CC1)C[NH+](C)C ZINC000872552446 589949554 /nfs/dbraw/zinc/94/95/54/589949554.db2.gz YJGWTAYPCZIQAP-NSHDSACASA-N 2 0 233.359 1.991 20 0 BDADRP [NH3+][C@@H]1C[C@H]1c1ccc(NCC23CC(C2)C[NH2+]3)cc1 ZINC000873214265 589996751 /nfs/dbraw/zinc/99/67/51/589996751.db2.gz CQXSKLQHDDFPQR-NSDPGXDNSA-N 2 0 243.354 1.665 20 0 BDADRP C[C@@H](NCc1cc2c(s1)CC[NH2+]C2)[C@H](C)[NH3+] ZINC000873213435 589997522 /nfs/dbraw/zinc/99/75/22/589997522.db2.gz ZMOODAGUKLPHQY-DTWKUNHWSA-N 2 0 239.388 1.219 20 0 BDADRP F[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000873215890 589998447 /nfs/dbraw/zinc/99/84/47/589998447.db2.gz GIEVONQSZJGMNW-UTUOFQBUSA-N 2 0 214.328 1.999 20 0 BDADRP CCn1nccc1C[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873222514 589999302 /nfs/dbraw/zinc/99/93/02/589999302.db2.gz XDKKTSVCDFJRIR-NSHDSACASA-N 2 0 236.363 1.381 20 0 BDADRP C[N@@H+]1CC[C@@H]2CN(CC[NH2+]C(C)(C)C)CC[C@@H]21 ZINC000873222054 590000077 /nfs/dbraw/zinc/00/00/77/590000077.db2.gz YCVJGNOOXVYPEZ-OLZOCXBDSA-N 2 0 239.407 1.401 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000873232434 590002574 /nfs/dbraw/zinc/00/25/74/590002574.db2.gz ZZKQIFRUQRSFQO-AVGNSLFASA-N 2 0 225.380 1.234 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)CC[NH2+]1 ZINC000873231854 590003136 /nfs/dbraw/zinc/00/31/36/590003136.db2.gz SAKYRSIBWZCTDL-MQYQWHSLSA-N 3 0 237.391 1.249 20 0 BDADRP CC1(C)CC[C@H](CN[C@H]2CCC[C@H]([NH3+])C2)[NH2+]C1 ZINC000873236454 590004363 /nfs/dbraw/zinc/00/43/63/590004363.db2.gz HJASJIDCLJWQBT-RWMBFGLXSA-N 2 0 239.407 1.624 20 0 BDADRP CC1(C)CC[C@H](CN[C@@H]2CCC[C@@H]([NH3+])C2)[NH2+]C1 ZINC000873236452 590004608 /nfs/dbraw/zinc/00/46/08/590004608.db2.gz HJASJIDCLJWQBT-JHJVBQTASA-N 2 0 239.407 1.624 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC[C@H]1CCCS1 ZINC000873244632 590006673 /nfs/dbraw/zinc/00/66/73/590006673.db2.gz TZTFPWDRNCXYJU-GARJFASQSA-N 2 0 216.394 1.988 20 0 BDADRP Cc1nc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cs1 ZINC000873248895 590007205 /nfs/dbraw/zinc/00/72/05/590007205.db2.gz GMVHUSKZPQVOFO-QNSHHTMESA-N 2 0 225.361 1.839 20 0 BDADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873248704 590007294 /nfs/dbraw/zinc/00/72/94/590007294.db2.gz DYZUYSSKYFGIJY-UMNHJUIQSA-N 2 0 234.347 1.124 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cccnc1 ZINC000873250272 590007657 /nfs/dbraw/zinc/00/76/57/590007657.db2.gz FZMKURNQJJIKKI-FOGDFJRCSA-N 2 0 205.305 1.470 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000873249071 590007662 /nfs/dbraw/zinc/00/76/62/590007662.db2.gz ICBXMNGXYULHMX-ZUWCUPBKSA-N 3 0 237.391 1.234 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCC23CCOCC3)C1 ZINC000873250883 590008215 /nfs/dbraw/zinc/00/82/15/590008215.db2.gz RJIBZQAXOFXWSN-GRYCIOLGSA-N 2 0 224.348 1.273 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H](c2cncc(F)c2)C2CC2)C1 ZINC000873251224 590008318 /nfs/dbraw/zinc/00/83/18/590008318.db2.gz VEEJWWFWKYRMQH-FZZIBODNSA-N 2 0 249.333 1.999 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cncc(F)c1 ZINC000873253793 590009362 /nfs/dbraw/zinc/00/93/62/590009362.db2.gz FHKQKZWFRQINCF-HOTUBEGUSA-N 2 0 223.295 1.609 20 0 BDADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873256215 590010871 /nfs/dbraw/zinc/01/08/71/590010871.db2.gz MUXBTGFGENATCX-MXAVVETBSA-N 3 0 247.386 1.272 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C1 ZINC000873255842 590011153 /nfs/dbraw/zinc/01/11/53/590011153.db2.gz IUJHXAGNMZQQHD-FIQHERPVSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@H](CC1CCOCC1)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873257621 590012555 /nfs/dbraw/zinc/01/25/55/590012555.db2.gz UMWMOSRFSMDNTM-RAIGVLPGSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCC[NH2+]1 ZINC000873260468 590013753 /nfs/dbraw/zinc/01/37/53/590013753.db2.gz AZNBMWQHCNGMJK-PDWCTOEPSA-N 3 0 237.391 1.247 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ncc[nH]1 ZINC000873260889 590013815 /nfs/dbraw/zinc/01/38/15/590013815.db2.gz JMALORZUSYXGJZ-YFKTTZPYSA-N 2 0 234.347 1.591 20 0 BDADRP C[C@H]([NH2+]C[C@H]1c2ccccc2CN1C)C1C[NH2+]C1 ZINC000873265037 590014626 /nfs/dbraw/zinc/01/46/26/590014626.db2.gz GHLRKSKIAYPDIV-NHYWBVRUSA-N 2 0 245.370 1.371 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1c2ccccc2CN1C ZINC000873263908 590014756 /nfs/dbraw/zinc/01/47/56/590014756.db2.gz AGQJRUZVYXUPQE-HUBLWGQQSA-N 2 0 247.386 1.889 20 0 BDADRP Cc1n[nH]cc1[C@H](C)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873267324 590015500 /nfs/dbraw/zinc/01/55/00/590015500.db2.gz BXLVAHGPSYUFJG-ZJUUUORDSA-N 2 0 236.363 1.757 20 0 BDADRP Cc1nccnc1[C@H](C)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873268616 590015616 /nfs/dbraw/zinc/01/56/16/590015616.db2.gz FVDZGDZHSUEWPZ-PWSUYJOCSA-N 2 0 248.374 1.824 20 0 BDADRP CN1Cc2ccccc2[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000873266789 590015739 /nfs/dbraw/zinc/01/57/39/590015739.db2.gz QNOZSFUPUXFVAX-ZNMIVQPWSA-N 2 0 245.370 1.643 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ccnc21)C1CC[NH2+]CC1 ZINC000873270984 590016232 /nfs/dbraw/zinc/01/62/32/590016232.db2.gz DLFSHRFYDPTBNJ-NTZNESFSSA-N 2 0 248.374 1.867 20 0 BDADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])C1CC[NH2+]CC1 ZINC000873271427 590016256 /nfs/dbraw/zinc/01/62/56/590016256.db2.gz IBKPKSOZOPUROZ-UBHSHLNASA-N 3 0 239.407 1.482 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)[C@H]1CCOC1 ZINC000873272379 590016304 /nfs/dbraw/zinc/01/63/04/590016304.db2.gz TWAFJNZPEYVLHE-UBHSHLNASA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCC[C@H]1C[NH3+])C1CC[NH2+]CC1 ZINC000873270428 590016328 /nfs/dbraw/zinc/01/63/28/590016328.db2.gz UCGHNTSLTYOEEI-WXHSDQCUSA-N 3 0 225.380 1.092 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873273080 590016584 /nfs/dbraw/zinc/01/65/84/590016584.db2.gz XZAZTWUBZISWND-GARJFASQSA-N 2 0 214.353 1.388 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCC[C@H]1CCOC1=O ZINC000873282146 590018362 /nfs/dbraw/zinc/01/83/62/590018362.db2.gz FSPJBTVXVGONJQ-NEPJUHHUSA-N 2 0 242.363 1.437 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CCC[C@@H]1CCOC1=O ZINC000873282147 590018488 /nfs/dbraw/zinc/01/84/88/590018488.db2.gz FSPJBTVXVGONJQ-NWDGAFQWSA-N 2 0 242.363 1.437 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cc(N)cc(F)c1 ZINC000873291552 590023326 /nfs/dbraw/zinc/02/33/26/590023326.db2.gz XDHUCYNGWIJOIO-DTWKUNHWSA-N 2 0 225.311 1.623 20 0 BDADRP C[C@H]1CCCN1CC[NH2+]CC1=CCCOC1 ZINC000124789238 590085377 /nfs/dbraw/zinc/08/53/77/590085377.db2.gz AXSUBEBBKPNAAM-LBPRGKRZSA-N 2 0 224.348 1.407 20 0 BDADRP CCC(CC)(C[NH3+])NC(=O)CC[NH2+]CC1CC1 ZINC000876529663 590209488 /nfs/dbraw/zinc/20/94/88/590209488.db2.gz JNWDITTWJAPYLT-UHFFFAOYSA-N 2 0 241.379 1.010 20 0 BDADRP CC(C)(CCC[NH3+])NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000876859891 590250563 /nfs/dbraw/zinc/25/05/63/590250563.db2.gz NQEKMEVGABCDAU-PHIMTYICSA-N 2 0 241.379 1.138 20 0 BDADRP CC(C)[C@@H]([NH3+])C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877134363 590290861 /nfs/dbraw/zinc/29/08/61/590290861.db2.gz QLSCJSFROSLEGO-YNEHKIRRSA-N 2 0 247.342 1.423 20 0 BDADRP COC[C@H]([NH2+]C[C@H](C)N1CCCCC1)C1CC1 ZINC000126432071 590302865 /nfs/dbraw/zinc/30/28/65/590302865.db2.gz XNIXBXUCHZSGKF-JSGCOSHPSA-N 2 0 240.391 1.875 20 0 BDADRP CO[C@H](C)C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000877741284 590409152 /nfs/dbraw/zinc/40/91/52/590409152.db2.gz MKAOZVTZYPZFLU-WOPDTQHZSA-N 2 0 212.337 1.047 20 0 BDADRP C[NH+]1CCC2(CC1)CC[NH+](CCF)CC2 ZINC000879250234 590721754 /nfs/dbraw/zinc/72/17/54/590721754.db2.gz QCPWSKVLIQHQNB-UHFFFAOYSA-N 2 0 214.328 1.764 20 0 BDADRP C[N@@H+]1CC[C@H]2C[NH+]([C@@H]3CCCC[C@H]3O)CC[C@@H]21 ZINC000879570787 590811275 /nfs/dbraw/zinc/81/12/75/590811275.db2.gz FTVMTJHFUJUMPN-IGQOVBAYSA-N 2 0 238.375 1.316 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)O1 ZINC000879583349 590821286 /nfs/dbraw/zinc/82/12/86/590821286.db2.gz XYNDMYZIHHTTEO-XJFOESAGSA-N 2 0 238.375 1.580 20 0 BDADRP Cc1nn(C)cc1C[NH2+]C1CCC([NH3+])CC1 ZINC000127891548 590840626 /nfs/dbraw/zinc/84/06/26/590840626.db2.gz UCNXIEBPEARXJB-UHFFFAOYSA-N 2 0 222.336 1.088 20 0 BDADRP CC(=O)C[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879705119 590852669 /nfs/dbraw/zinc/85/26/69/590852669.db2.gz LDYVONOHMODYEN-UHFFFAOYSA-N 2 0 240.391 1.875 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CN1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880142971 590945032 /nfs/dbraw/zinc/94/50/32/590945032.db2.gz WYABWXQEBJVFQF-RDBSUJKOSA-N 2 0 237.391 1.249 20 0 BDADRP CC(=O)CC[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880260352 590980648 /nfs/dbraw/zinc/98/06/48/590980648.db2.gz BMLZDYGEXYAOJW-LBPRGKRZSA-N 2 0 247.342 1.571 20 0 BDADRP C[C@@H](CO)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880261848 590980842 /nfs/dbraw/zinc/98/08/42/590980842.db2.gz YVKJRZPLOREXAI-OLZOCXBDSA-N 2 0 249.358 1.221 20 0 BDADRP CC(C)(O)CC[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880473024 591053958 /nfs/dbraw/zinc/05/39/58/591053958.db2.gz MDDNARWMGRAMDN-UHFFFAOYSA-N 2 0 240.391 1.708 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cncs1 ZINC000131447679 591609276 /nfs/dbraw/zinc/60/92/76/591609276.db2.gz PMNCFCBOWVAPHP-PSASIEDQSA-N 2 0 211.334 1.360 20 0 BDADRP COC[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000883315131 591612445 /nfs/dbraw/zinc/61/24/45/591612445.db2.gz YTVHYBOHYJBKMF-RWMBFGLXSA-N 2 0 240.391 1.874 20 0 BDADRP C=C/C=C\CCN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000883429394 591660451 /nfs/dbraw/zinc/66/04/51/591660451.db2.gz UMJICPUJCCPLRQ-RSNNXLNZSA-N 2 0 206.333 1.803 20 0 BDADRP c1ncc2c(n1)CC[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000883462005 591673992 /nfs/dbraw/zinc/67/39/92/591673992.db2.gz HZVQKVXBGMFRHI-UHFFFAOYSA-N 2 0 246.358 1.224 20 0 BDADRP CC[NH+]1CCC([NH2+]CCCCCCO)CC1 ZINC000133001440 591755952 /nfs/dbraw/zinc/75/59/52/591755952.db2.gz MAHGKTPLNSUTAD-UHFFFAOYSA-N 2 0 228.380 1.613 20 0 BDADRP COC(CN(C)CC[C@H]1CCCC[N@@H+]1C)OC ZINC000136774709 592150747 /nfs/dbraw/zinc/15/07/47/592150747.db2.gz HTXJAOAQTCBMQI-GFCCVEGCSA-N 2 0 244.379 1.412 20 0 BDADRP CCC[C@@](C)(O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000219266503 592220862 /nfs/dbraw/zinc/22/08/62/592220862.db2.gz LVQJRHFOFIBIBA-WTUNAVPPSA-N 2 0 240.391 1.752 20 0 BDADRP C[NH2+]CCC1CC[NH+](CCCCCCO)CC1 ZINC000219878935 592258823 /nfs/dbraw/zinc/25/88/23/592258823.db2.gz UVNHDCKDHIUGDL-UHFFFAOYSA-N 2 0 242.407 1.861 20 0 BDADRP C1CSC[C@H]([NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000220672390 592321463 /nfs/dbraw/zinc/32/14/63/592321463.db2.gz KAAREGDEPKFPJD-WDEREUQCSA-N 2 0 214.378 1.614 20 0 BDADRP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000886829759 592351123 /nfs/dbraw/zinc/35/11/23/592351123.db2.gz GTPCWQMKYFMVQP-IHRRRGAJSA-N 2 0 240.391 1.907 20 0 BDADRP C[N@H+](C[C@H]1C[C@@]12CCOC2)CC(C)(C)C[NH3+] ZINC000886830908 592355058 /nfs/dbraw/zinc/35/50/58/592355058.db2.gz ZPZQLSBVGLWRSO-DGCLKSJQSA-N 2 0 226.364 1.330 20 0 BDADRP C([C@H]1C[C@@]12CCOC2)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000886832965 592355336 /nfs/dbraw/zinc/35/53/36/592355336.db2.gz QRANYWUFSKQWBS-HZSPNIEDSA-N 2 0 236.359 1.098 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000886840170 592360099 /nfs/dbraw/zinc/36/00/99/592360099.db2.gz VGVNGOIMCROIQM-DGAVXFQQSA-N 2 0 238.375 1.804 20 0 BDADRP [NH3+][C@]12CCC[C@@H]1C[N@H+](C[C@@H]1C[C@@]13CCOC3)C2 ZINC000886841270 592361317 /nfs/dbraw/zinc/36/13/17/592361317.db2.gz GTQZJBRKFVJXON-RQJABVFESA-N 2 0 236.359 1.226 20 0 BDADRP CCN(CCCC1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC000886847092 592365537 /nfs/dbraw/zinc/36/55/37/592365537.db2.gz ZZHBMAOPIHLQNI-AWEZNQCLSA-N 2 0 239.407 1.450 20 0 BDADRP C([C@@H]1CCOC1)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886870008 592375155 /nfs/dbraw/zinc/37/51/55/592375155.db2.gz NFGOVWMITRKCJY-UONOGXRCSA-N 2 0 238.375 1.489 20 0 BDADRP FCCC[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886874740 592377503 /nfs/dbraw/zinc/37/75/03/592377503.db2.gz VQINYMUBQGDYJJ-LBPRGKRZSA-N 2 0 214.328 1.812 20 0 BDADRP C[C@H](CO)C[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887134993 592449683 /nfs/dbraw/zinc/44/96/83/592449683.db2.gz UCHRZVNFXKEILA-STQMWFEESA-N 2 0 249.358 1.221 20 0 BDADRP CO[C@H](C)C[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887134461 592450052 /nfs/dbraw/zinc/45/00/52/592450052.db2.gz KAXHYOGAJARLKV-QWHCGFSZSA-N 2 0 249.358 1.627 20 0 BDADRP CCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1CC1 ZINC000887359142 592489804 /nfs/dbraw/zinc/48/98/04/592489804.db2.gz HPEMAEJPHUJRJQ-LBPRGKRZSA-N 2 0 238.379 1.385 20 0 BDADRP C[N@@H+]1CCC[C@@H](CCNC(=[NH2+])NCC(F)F)C1 ZINC000887361708 592490640 /nfs/dbraw/zinc/49/06/40/592490640.db2.gz HGYWEULPJFPQSU-VIFPVBQESA-N 2 0 248.321 1.097 20 0 BDADRP CO[C@@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000300040928 592501273 /nfs/dbraw/zinc/50/12/73/592501273.db2.gz KAZHPWSFQQNYKK-CYBMUJFWSA-N 2 0 226.364 1.487 20 0 BDADRP CC(C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000300233231 592505181 /nfs/dbraw/zinc/50/51/81/592505181.db2.gz PNUNUEWIVLRKDC-SDDRHHMPSA-N 2 0 214.353 1.110 20 0 BDADRP CC(C)C[C@H](O)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000300231336 592505207 /nfs/dbraw/zinc/50/52/07/592505207.db2.gz GRMILDFQIMCGRW-SRVKXCTJSA-N 2 0 214.353 1.253 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000925703378 634379444 /nfs/dbraw/zinc/37/94/44/634379444.db2.gz DKCSTZNLFALUBQ-RVMXOQNASA-N 3 0 237.391 1.105 20 0 BDADRP C[C@H](N)[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000925705098 634386144 /nfs/dbraw/zinc/38/61/44/634386144.db2.gz HSNVMROVTDAQES-NEBZKDRISA-N 2 0 247.386 1.792 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925706773 634391489 /nfs/dbraw/zinc/39/14/89/634391489.db2.gz KLOJWLZEUUTWMY-FVCCEPFGSA-N 3 0 239.407 1.480 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000925706619 634391749 /nfs/dbraw/zinc/39/17/49/634391749.db2.gz NPXKVJGRHIQKAK-YNEHKIRRSA-N 2 0 237.391 1.391 20 0 BDADRP [NH3+]CCCCCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925708214 634398783 /nfs/dbraw/zinc/39/87/83/634398783.db2.gz GYORTOVLQKBQSJ-YHQUGGNUSA-N 3 0 237.391 1.092 20 0 BDADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925708835 634405135 /nfs/dbraw/zinc/40/51/35/634405135.db2.gz NZPFWOXOEATGIV-SGMGOOAPSA-N 3 0 235.375 1.792 20 0 BDADRP [NH3+]C[C@H](N[C@@H]1CC[NH2+]C12CCC2)C1CCCC1 ZINC000925708716 634405300 /nfs/dbraw/zinc/40/53/00/634405300.db2.gz NGEAEOMGUAXCNM-QWHCGFSZSA-N 2 0 237.391 1.378 20 0 BDADRP C[C@H]([NH3+])[C@H](C)N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925711794 634413303 /nfs/dbraw/zinc/41/33/03/634413303.db2.gz RQHLWKWHVVUSIR-UKKRHICBSA-N 2 0 213.369 1.218 20 0 BDADRP COCC1(C[NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925714300 634427977 /nfs/dbraw/zinc/42/79/77/634427977.db2.gz PHELWTGULMJFMA-LLVKDONJSA-N 2 0 224.348 1.287 20 0 BDADRP C[C@@H]([NH3+])[C@H](NC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000925716566 634447617 /nfs/dbraw/zinc/44/76/17/634447617.db2.gz AACJZCUQYCLISH-SNPRPXQTSA-N 2 0 247.386 1.759 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1N[C@H](CCC[NH3+])c1ccccc1 ZINC000925719813 634456036 /nfs/dbraw/zinc/45/60/36/634456036.db2.gz UFDGXMBZTAZUNG-NWANDNLSSA-N 2 0 247.386 1.807 20 0 BDADRP CC1CC(C[NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925719615 634456268 /nfs/dbraw/zinc/45/62/68/634456268.db2.gz AUUZJEWNSVYOAJ-HTAVTVPLSA-N 2 0 208.349 1.907 20 0 BDADRP C[C@@H]([NH3+])[C@@H](N[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000925720620 634460562 /nfs/dbraw/zinc/46/05/62/634460562.db2.gz YWYRFVNKMFOMKA-RAIGVLPGSA-N 2 0 219.332 1.026 20 0 BDADRP C[C@H](c1ccccn1)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000257708511 634477198 /nfs/dbraw/zinc/47/71/98/634477198.db2.gz NEAXZHIDEMPHGG-VXGBXAGGSA-N 2 0 219.332 1.813 20 0 BDADRP CC[C@@H](C(N)=O)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000335570318 634492467 /nfs/dbraw/zinc/49/24/67/634492467.db2.gz RKONCDYMQDBMOO-JTQLQIEISA-N 2 0 225.336 1.376 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000925726624 634523602 /nfs/dbraw/zinc/52/36/02/634523602.db2.gz VANBZDIUFKPUDN-RWMBFGLXSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C12CCC2)C1CC[NH2+]CC1 ZINC000925728251 634527503 /nfs/dbraw/zinc/52/75/03/634527503.db2.gz KFAALEJMKGBONB-DRZSPHRISA-N 3 0 237.391 1.234 20 0 BDADRP [NH3+]C1CC(C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)C1 ZINC000925729741 634550839 /nfs/dbraw/zinc/55/08/39/634550839.db2.gz LNGATNBCLPEERS-QNOVJUQQSA-N 2 0 238.375 1.519 20 0 BDADRP CC[NH+](CC)[C@H](CNC(=O)CC[NH3+])CC(C)C ZINC000236875541 634565778 /nfs/dbraw/zinc/56/57/78/634565778.db2.gz TVQHKLKBKVMCMT-LBPRGKRZSA-N 2 0 243.395 1.208 20 0 BDADRP CC(C)([NH3+])CCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000925736494 634589699 /nfs/dbraw/zinc/58/96/99/634589699.db2.gz AKQHUZUARKGEIW-OLZOCXBDSA-N 2 0 233.359 1.848 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CC(C)(C)CO1)[C@@H]1CCC[NH2+]1 ZINC000925775789 635250600 /nfs/dbraw/zinc/25/06/00/635250600.db2.gz SNMGQLLHBKEKGU-UPJWGTAASA-N 2 0 240.391 1.922 20 0 BDADRP Cc1cc(CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)nn1C ZINC000925831223 635468616 /nfs/dbraw/zinc/46/86/16/635468616.db2.gz CZXWXCUCDWRJTO-VXGBXAGGSA-N 2 0 236.363 1.131 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000925833692 635479341 /nfs/dbraw/zinc/47/93/41/635479341.db2.gz WYWPSIGGONVFPZ-OFTGVCEQSA-N 2 0 222.332 1.047 20 0 BDADRP Cc1cc(CC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)nn1C ZINC000925834315 635481483 /nfs/dbraw/zinc/48/14/83/635481483.db2.gz NAENLXGYLPCCTO-CHWSQXEVSA-N 2 0 248.374 1.131 20 0 BDADRP [NH3+][C@H]1C[C@H](NC[C@]23CCC[C@H]2[NH2+]CC3)C12CCC2 ZINC000925838661 635500888 /nfs/dbraw/zinc/50/08/88/635500888.db2.gz NODKMKZUKOZBQV-RFQIPJPRSA-N 2 0 249.402 1.378 20 0 BDADRP CC(C)[NH+]1CCC(N(C)C[C@H]2CCC[NH2+]2)CC1 ZINC000232643637 635512834 /nfs/dbraw/zinc/51/28/34/635512834.db2.gz HFSYOPZRHVHHDZ-CYBMUJFWSA-N 2 0 239.407 1.543 20 0 BDADRP C[C@H](CN[C@H]1CCCC[C@H]1C[NH3+])[NH+](C)C ZINC000251119221 635526657 /nfs/dbraw/zinc/52/66/57/635526657.db2.gz QOVAJCCYEFRQNU-WOPDTQHZSA-N 2 0 213.369 1.044 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2C[NH3+])CCS1 ZINC000925857095 635548528 /nfs/dbraw/zinc/54/85/28/635548528.db2.gz HDZGCYGCVGQMDQ-KKOKHZNYSA-N 2 0 228.405 1.988 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925859792 635553958 /nfs/dbraw/zinc/55/39/58/635553958.db2.gz SCCGDJZRJUUCIS-VZKILSJISA-N 2 0 238.375 1.124 20 0 BDADRP COC[C@@H](C[NH2+][C@H]1CCC[NH2+]CC1)C(C)C ZINC000925873674 635593108 /nfs/dbraw/zinc/59/31/08/635593108.db2.gz MKGIOHGYUZOLPG-OLZOCXBDSA-N 2 0 228.380 1.637 20 0 BDADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC[C@@H]1CCOC1 ZINC000236230761 635597156 /nfs/dbraw/zinc/59/71/56/635597156.db2.gz OJHNSXKJBLEUAU-RLAWYHOSSA-N 2 0 238.375 1.757 20 0 BDADRP CCn1cc([C@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cn1 ZINC000925876411 635598777 /nfs/dbraw/zinc/59/87/77/635598777.db2.gz XDZLQHMIEWCUCU-LOWVWBTDSA-N 2 0 236.363 1.681 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)[C@H](C)C1 ZINC000925877950 635601072 /nfs/dbraw/zinc/60/10/72/635601072.db2.gz ZNJQHOXJUUXDNW-YIYPIFLZSA-N 3 0 239.407 1.434 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](CCc2cccnc2)C1 ZINC000076647827 631301219 /nfs/dbraw/zinc/30/12/19/631301219.db2.gz NFABYFNSHKBXJN-CYBMUJFWSA-N 2 0 219.332 1.295 20 0 BDADRP C[NH+]1CCC(C[NH2+]C/C=C/Cl)CC1 ZINC000234324258 631307853 /nfs/dbraw/zinc/30/78/53/631307853.db2.gz RETRDDJWUYREPX-GORDUTHDSA-N 2 0 202.729 1.670 20 0 BDADRP CN(C)CC(C)(C)[NH2+]CC1CC[NH+](C)CC1 ZINC000308609279 631343074 /nfs/dbraw/zinc/34/30/74/631343074.db2.gz QSDAPALFVVTKLT-UHFFFAOYSA-N 2 0 227.396 1.258 20 0 BDADRP C(C[N@@H+]1CCCOCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000093678205 631570780 /nfs/dbraw/zinc/57/07/80/631570780.db2.gz KNRACADKFNXIMT-AGUYFDCRSA-N 2 0 238.375 1.629 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@H]2CCC[C@H]2CCO)CC1 ZINC000893724121 635626980 /nfs/dbraw/zinc/62/69/80/635626980.db2.gz SNYJEWAYSJNQPI-KBPBESRZSA-N 2 0 240.391 1.469 20 0 BDADRP C[N@H+](CC1CC[NH+](C)CC1)[C@H]1CC[C@H](O)CC1 ZINC000893900729 635637271 /nfs/dbraw/zinc/63/72/71/635637271.db2.gz ACJYGJUOWLQSHX-HDJSIYSDSA-N 2 0 240.391 1.564 20 0 BDADRP CO[C@@H]1CC[C@H]1[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000934124113 631704010 /nfs/dbraw/zinc/70/40/10/631704010.db2.gz NFULXJBNGKAMMS-BFHYXJOUSA-N 2 0 240.391 1.970 20 0 BDADRP C1=CC[C@@H]2C[N@@H+](C[C@@H]3CC[NH2+]C3)C[C@@H]2C1 ZINC000308961823 631772557 /nfs/dbraw/zinc/77/25/57/631772557.db2.gz ZUBYDQJDRXYBKY-UPJWGTAASA-N 2 0 206.333 1.494 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@H](C)[C@H](C)O)CC1 ZINC000309019933 631800966 /nfs/dbraw/zinc/80/09/66/631800966.db2.gz WLXZARSYNNBLQR-MNOVXSKESA-N 2 0 214.353 1.218 20 0 BDADRP CSC1(C[NH2+][C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000235120731 631985607 /nfs/dbraw/zinc/98/56/07/631985607.db2.gz UINDATKQXOYQQP-UWVGGRQHSA-N 2 0 214.378 1.599 20 0 BDADRP CCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)C ZINC000849027849 631999662 /nfs/dbraw/zinc/99/96/62/631999662.db2.gz LDZYXDBHGBUSTO-LBPRGKRZSA-N 2 0 240.395 1.631 20 0 BDADRP CC[N@H+](CC[C@H]1CCC[NH2+]C1)C[C@@H]1CCCO1 ZINC000051919148 632011874 /nfs/dbraw/zinc/01/18/74/632011874.db2.gz TXJKBNNMAWNWEF-KGLIPLIRSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+](C)CCOCC2CC2)CC[NH2+]1 ZINC000235364968 632027515 /nfs/dbraw/zinc/02/75/15/632027515.db2.gz BFNXLOKAPBPOMT-TZMCWYRMSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=[NH2+])NC1CC1 ZINC000052041118 632050888 /nfs/dbraw/zinc/05/08/88/632050888.db2.gz JHJYMNBSTKCKJK-LLVKDONJSA-N 2 0 238.379 1.527 20 0 BDADRP CC(C)NC(=[NH2+])NCC[NH+]1CCCCCC1 ZINC000052043200 632054830 /nfs/dbraw/zinc/05/48/30/632054830.db2.gz FSPLVIUAOSDROW-UHFFFAOYSA-N 2 0 226.368 1.385 20 0 BDADRP CC[NH+](CC)CCCNC(=[NH2+])NC1CCCC1 ZINC000052046888 632055950 /nfs/dbraw/zinc/05/59/50/632055950.db2.gz KHSIHIBWYGPFTI-UHFFFAOYSA-N 2 0 240.395 1.775 20 0 BDADRP Cc1ncoc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000894242065 635765855 /nfs/dbraw/zinc/76/58/55/635765855.db2.gz RGHFELNZUMEZAJ-UHFFFAOYSA-N 2 0 223.320 1.414 20 0 BDADRP CC[C@@H]1COC[C@@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000926558598 632523534 /nfs/dbraw/zinc/52/35/34/632523534.db2.gz JMYVUQYYIAFKIH-OCCSQVGLSA-N 2 0 240.391 1.875 20 0 BDADRP C[N@H+](CC[C@@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250017266 632540450 /nfs/dbraw/zinc/54/04/50/632540450.db2.gz XEBRFTRJTHTDMR-PIGZVRMJSA-N 2 0 238.375 1.770 20 0 BDADRP C[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000251147056 632545023 /nfs/dbraw/zinc/54/50/23/632545023.db2.gz XRJGGBGMEBIIGQ-AAVRWANBSA-N 2 0 239.407 1.447 20 0 BDADRP CS[C@@H]1CCC[C@H](N[C@@H]2CC[NH2+]C2)C1 ZINC000235235083 632566041 /nfs/dbraw/zinc/56/60/41/632566041.db2.gz OGOZCPSXYONHOC-HBNTYKKESA-N 2 0 214.378 1.612 20 0 BDADRP C[C@@]1(C[NH3+])CC[N@H+](C[C@H](O)CC2CCCC2)C1 ZINC000310082812 632701291 /nfs/dbraw/zinc/70/12/91/632701291.db2.gz KQPKKVWPTIBQOL-KGLIPLIRSA-N 2 0 240.391 1.598 20 0 BDADRP CC[C@H](O)CN1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000310248273 632711301 /nfs/dbraw/zinc/71/13/01/632711301.db2.gz WTPMFMOSZCQBHJ-MELADBBJSA-N 2 0 234.343 1.184 20 0 BDADRP C[C@@H]1CCCC[N@@H+]1CCCNC1=[NH+]CCN1C ZINC000310386129 632733873 /nfs/dbraw/zinc/73/38/73/632733873.db2.gz DQEVXTITOWCWPX-GFCCVEGCSA-N 2 0 238.379 1.142 20 0 BDADRP C[NH+](C)CCCCNC(=[NH2+])NC(C)(C)C ZINC000052044064 632782176 /nfs/dbraw/zinc/78/21/76/632782176.db2.gz YTQPSCUYMJCMTB-UHFFFAOYSA-N 2 0 214.357 1.241 20 0 BDADRP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000926667001 632794706 /nfs/dbraw/zinc/79/47/06/632794706.db2.gz XKPIETHZLVTOTR-KCLGILNXSA-N 2 0 240.391 1.587 20 0 BDADRP C[C@H]([NH2+]C/C=C\CO)c1cccc(C[NH+](C)C)c1 ZINC000926687788 632822457 /nfs/dbraw/zinc/82/24/57/632822457.db2.gz AZRILAXYLCVXEY-ZFDPJTLLSA-N 2 0 248.370 1.947 20 0 BDADRP CCC(CC)[C@H](CNC(=[NH2+])NC1CC1)[NH+](C)C ZINC000066245168 632861947 /nfs/dbraw/zinc/86/19/47/632861947.db2.gz OXKCHVYYGQJXCO-LBPRGKRZSA-N 2 0 240.395 1.420 20 0 BDADRP CC(C)C[NH+]1CCN(c2cc[nH+]cc2CO)CC1 ZINC000126491820 635840197 /nfs/dbraw/zinc/84/01/97/635840197.db2.gz MDGRBXZTKLYOSD-UHFFFAOYSA-N 2 0 249.358 1.352 20 0 BDADRP O[C@H](C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000310768969 632982016 /nfs/dbraw/zinc/98/20/16/632982016.db2.gz SKYIJADSTDTDSE-CABCVRRESA-N 2 0 246.354 1.405 20 0 BDADRP C[NH+]1CCC(C[NH+]2CCC(CO)CC2)CC1 ZINC000309385097 633002374 /nfs/dbraw/zinc/00/23/74/633002374.db2.gz AHTPMYWRMFOSHO-UHFFFAOYSA-N 2 0 226.364 1.033 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC(C)(C)F ZINC000926781690 633058272 /nfs/dbraw/zinc/05/82/72/633058272.db2.gz XZCDVEBKPSQNTJ-ZACCUICWSA-N 2 0 214.328 1.664 20 0 BDADRP Cc1ncoc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000895033771 636017072 /nfs/dbraw/zinc/01/70/72/636017072.db2.gz HXCZTTUVRVVFEO-UHFFFAOYSA-N 2 0 237.347 1.945 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1cn[nH]c1 ZINC000229626431 636080777 /nfs/dbraw/zinc/08/07/77/636080777.db2.gz BLSFTKFCDGIVEZ-JMJZKYOTSA-N 2 0 208.309 1.330 20 0 BDADRP C1C[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CS1 ZINC000328443708 633765651 /nfs/dbraw/zinc/76/56/51/633765651.db2.gz NIFRJWBKBQVEDH-KTWSDMTRSA-N 2 0 224.373 1.078 20 0 BDADRP C([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)[C@H]1CCSC1 ZINC000328444631 633766493 /nfs/dbraw/zinc/76/64/93/633766493.db2.gz NRGUXHYWNBZYEW-JIMTYQMOSA-N 2 0 238.400 1.326 20 0 BDADRP C1[NH2+][C@H]2[C@H]([NH2+]C3CCCCC3)[C@H]3C[C@@H]1[C@@H]2C3 ZINC000328567240 633775279 /nfs/dbraw/zinc/77/52/79/633775279.db2.gz NPTOLLLSTXDAIL-GOCOPAARSA-N 2 0 220.360 1.905 20 0 BDADRP C(C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)CC1CC1 ZINC000328559075 633775294 /nfs/dbraw/zinc/77/52/94/633775294.db2.gz DGDNUEHUUTYVDI-YHQUGGNUSA-N 2 0 220.360 1.763 20 0 BDADRP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328565773 633775960 /nfs/dbraw/zinc/77/59/60/633775960.db2.gz LYVWNHHRWBVENH-LZRJYULZSA-N 2 0 220.360 1.761 20 0 BDADRP CC(C)CC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328566341 633776369 /nfs/dbraw/zinc/77/63/69/633776369.db2.gz MPWDMFWMNTUFHI-NWBUJAPZSA-N 2 0 208.349 1.619 20 0 BDADRP c1csc(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)c1 ZINC000328511245 633776456 /nfs/dbraw/zinc/77/64/56/633776456.db2.gz BKIZWIRQYRSFIJ-SZZQBSIJSA-N 2 0 248.395 1.877 20 0 BDADRP C(CC1CCC1)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328576136 633779798 /nfs/dbraw/zinc/77/97/98/633779798.db2.gz YYMUAPJAPCJTBO-YHQUGGNUSA-N 2 0 220.360 1.763 20 0 BDADRP CC1(C)C[C@@H]1C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328575017 633779818 /nfs/dbraw/zinc/77/98/18/633779818.db2.gz XPCYRGCKGLTMHZ-NURVWSNCSA-N 2 0 220.360 1.619 20 0 BDADRP CC(C)(C)C(=O)CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000309384627 633905625 /nfs/dbraw/zinc/90/56/25/633905625.db2.gz SLTNJAFGXJJQFR-QWRGUYRKSA-N 2 0 224.348 1.143 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925539068 633946923 /nfs/dbraw/zinc/94/69/23/633946923.db2.gz GIYRHOVVBACTQC-MNOVXSKESA-N 2 0 214.353 1.125 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000925559635 634039906 /nfs/dbraw/zinc/03/99/06/634039906.db2.gz ZCSVBFOJBGRUAU-STQMWFEESA-N 2 0 237.391 1.201 20 0 BDADRP C[C@@H]([N@H+](C)C[C@@H](O)CN1CCCC1)C(C)(C)C ZINC000309984019 634060113 /nfs/dbraw/zinc/06/01/13/634060113.db2.gz ZGGAWFATQDOPIU-CHWSQXEVSA-N 2 0 242.407 1.810 20 0 BDADRP CC(C)[C@](C)(O)C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925611109 634151165 /nfs/dbraw/zinc/15/11/65/634151165.db2.gz KGFAEQUROXGYGP-YRGRVCCFSA-N 2 0 242.407 1.889 20 0 BDADRP CC[C@@H](CCO)[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925621259 634179616 /nfs/dbraw/zinc/17/96/16/634179616.db2.gz CYCSPZXMKLWGHC-RYUDHWBXSA-N 2 0 226.364 1.412 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@H]([NH+](C)C)[C@H]1C ZINC000931041788 634196233 /nfs/dbraw/zinc/19/62/33/634196233.db2.gz LANOPAMDVNNESK-KGLIPLIRSA-N 2 0 241.423 1.743 20 0 BDADRP C[C@H](C[NH2+]C1CCCCC1)N1CC[NH+](C)CC1 ZINC000053486260 634208926 /nfs/dbraw/zinc/20/89/26/634208926.db2.gz WUILQBXWWPEVFH-CYBMUJFWSA-N 2 0 239.407 1.545 20 0 BDADRP CC1(C)C[C@@H]([NH2+]CCC2(O)CCC2)C[C@@H]([NH3+])C1 ZINC000925666675 634243101 /nfs/dbraw/zinc/24/31/01/634243101.db2.gz VJBJRIAXDZBZDQ-NEPJUHHUSA-N 2 0 240.391 1.787 20 0 BDADRP C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925670519 634254510 /nfs/dbraw/zinc/25/45/10/634254510.db2.gz LTYNGUVZVPHRFO-IJLUTSLNSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@H]1OCC[C@H]1[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925676281 634263830 /nfs/dbraw/zinc/26/38/30/634263830.db2.gz ZMQBPGZKHSTARZ-GWOFURMSSA-N 2 0 210.321 1.023 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)N[C@H]1CC[NH2+]C1(C)C ZINC000925676480 634265708 /nfs/dbraw/zinc/26/57/08/634265708.db2.gz MIDDNORGERTOGV-STQMWFEESA-N 2 0 241.423 1.837 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925677642 634270599 /nfs/dbraw/zinc/27/05/99/634270599.db2.gz XJUFBGFNSQCPIC-KKOKHZNYSA-N 2 0 228.380 1.905 20 0 BDADRP C1CCC([C@@H]2C[NH2+]CC[C@@H]2N[C@H]2CC[NH2+]C2)C1 ZINC000925687754 634304445 /nfs/dbraw/zinc/30/44/45/634304445.db2.gz AUJRBTCSJJCNBV-IHRRRGAJSA-N 2 0 237.391 1.106 20 0 BDADRP CC(C)[NH2+]CCCN[C@@H]1CCC[NH2+][C@H]1C ZINC000925690831 634314026 /nfs/dbraw/zinc/31/40/26/634314026.db2.gz HUAIVUDAPSTLPC-NWDGAFQWSA-N 2 0 213.369 1.105 20 0 BDADRP CC1(C)C[C@@H](NC[C@@H]2CCC[NH2+]2)C[C@@H]([NH3+])C1 ZINC000925691687 634321022 /nfs/dbraw/zinc/32/10/22/634321022.db2.gz JNAYPJGKRDTBBC-WOPDTQHZSA-N 2 0 225.380 1.234 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCCCN1 ZINC000925692614 634324424 /nfs/dbraw/zinc/32/44/24/634324424.db2.gz NHGZYUZJGLWNSO-NFMDPKQHSA-N 2 0 237.391 1.234 20 0 BDADRP C[C@H]([NH3+])CCN[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925692525 634324484 /nfs/dbraw/zinc/32/44/84/634324484.db2.gz MACMXUOTTWHTJP-DCAQKATOSA-N 2 0 213.369 1.219 20 0 BDADRP [NH3+][C@H]1C[C@@H](NCC2([NH3+])CCCCC2)C12CCC2 ZINC000925693237 634326994 /nfs/dbraw/zinc/32/69/94/634326994.db2.gz QLAWUXUIWPKWDL-NWDGAFQWSA-N 2 0 237.391 1.508 20 0 BDADRP C[C@H](N)[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000925695346 634345010 /nfs/dbraw/zinc/34/50/10/634345010.db2.gz WAALFEVUCDRMHD-GUTXKFCHSA-N 2 0 247.386 1.664 20 0 BDADRP CCC([NH3+])(CC)CN[C@H]1CCC[NH2+][C@H]1C ZINC000925697066 634359772 /nfs/dbraw/zinc/35/97/72/634359772.db2.gz DIKGNGFXLMWOPC-QWRGUYRKSA-N 2 0 213.369 1.234 20 0 BDADRP C[NH2+][C@H](C)CN[C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925698194 634362525 /nfs/dbraw/zinc/36/25/25/634362525.db2.gz CSVXPZLSMHLLLD-NTZNESFSSA-N 2 0 221.348 1.272 20 0 BDADRP CCCC[C@@H](C[NH3+])N[C@@H]1CC[NH2+]C1(C)C ZINC000925698081 634363192 /nfs/dbraw/zinc/36/31/92/634363192.db2.gz IBMYSCSPNOGJPZ-WDEREUQCSA-N 2 0 213.369 1.234 20 0 BDADRP CCC([NH3+])(CC)CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925699349 634365997 /nfs/dbraw/zinc/36/59/97/634365997.db2.gz OHMQWRKFXBCLGO-JZRPKSSGSA-N 2 0 237.391 1.090 20 0 BDADRP CCC([NH3+])(CC)CN[C@@H]1CC[NH2+]C1(C)C ZINC000925699651 634366621 /nfs/dbraw/zinc/36/66/21/634366621.db2.gz PDQWEZCKTBCFDD-SNVBAGLBSA-N 2 0 213.369 1.234 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1NCc1ccc2c(c1)C[NH2+]C2 ZINC000925700039 634368314 /nfs/dbraw/zinc/36/83/14/634368314.db2.gz MXHQXYSIPSWHGM-XHDPSFHLSA-N 2 0 245.370 1.520 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925701378 634374737 /nfs/dbraw/zinc/37/47/37/634374737.db2.gz YMESMUYICXQFAI-XQHKEYJVSA-N 2 0 239.407 1.480 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925701377 634374906 /nfs/dbraw/zinc/37/49/06/634374906.db2.gz YMESMUYICXQFAI-VOAKCMCISA-N 2 0 239.407 1.480 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000925772972 635220511 /nfs/dbraw/zinc/22/05/11/635220511.db2.gz LJGVCVQEARKKQU-XQHKEYJVSA-N 2 0 226.364 1.804 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCC23CCOCC3)C1 ZINC000925781329 635272812 /nfs/dbraw/zinc/27/28/12/635272812.db2.gz YEZNPKUSCBDCRB-AGIUHOORSA-N 2 0 238.375 1.805 20 0 BDADRP CO[C@H]1CCC[C@H]([NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000925802719 635350989 /nfs/dbraw/zinc/35/09/89/635350989.db2.gz IDZXOOOSRWZRGS-MQYQWHSLSA-N 2 0 240.391 1.779 20 0 BDADRP CC(C)CC[C@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925808656 635361814 /nfs/dbraw/zinc/36/18/14/635361814.db2.gz CGPXTXLLANBPRK-ZDUSSCGKSA-N 2 0 241.423 1.824 20 0 BDADRP CC[C@H]([NH2+]CCN1CCC([NH3+])CC1)[C@@H]1C[C@H]1C ZINC000925817091 635385815 /nfs/dbraw/zinc/38/58/15/635385815.db2.gz MZFRXEXQBLEYGO-BNOWGMLFSA-N 2 0 239.407 1.434 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+](C)Cc2cnn(C)c2)CC[NH2+]1 ZINC000235366338 635575788 /nfs/dbraw/zinc/57/57/88/635575788.db2.gz XMTQVRCUQVIQIJ-VXGBXAGGSA-N 2 0 236.363 1.240 20 0 BDADRP C[C@H]1C[C@H](C[N@@H+]2CCN(C)C(C)(C)C2)CC[NH2+]1 ZINC000235662086 635584419 /nfs/dbraw/zinc/58/44/19/635584419.db2.gz ROGVIVRVGUANSR-QWHCGFSZSA-N 2 0 239.407 1.401 20 0 BDADRP COC[C@@H](C[NH2+][C@@H](C)C1C[NH2+]C1)C(C)C ZINC000925874521 635595396 /nfs/dbraw/zinc/59/53/96/635595396.db2.gz SJFVOJUHIBLXLC-CMPLNLGQSA-N 2 0 214.353 1.103 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)c2ncnn21 ZINC000924963563 635809876 /nfs/dbraw/zinc/80/98/76/635809876.db2.gz KUQWGDGAXOFEHF-PWSUYJOCSA-N 2 0 249.362 1.215 20 0 BDADRP C[C@@H]1[C@H](CO)CCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000894939429 636010026 /nfs/dbraw/zinc/01/00/26/636010026.db2.gz KOCNALOUFCNCJE-OCCSQVGLSA-N 2 0 240.391 1.421 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000089146639 636904966 /nfs/dbraw/zinc/90/49/66/636904966.db2.gz WDZOKLLONBHSJY-XUXIUFHCSA-N 2 0 240.391 1.645 20 0 BDADRP C[C@@H](O)C(C)(C)[NH2+]CC1CC[NH+](C)CC1 ZINC000128153580 637010365 /nfs/dbraw/zinc/01/03/65/637010365.db2.gz MRUDJPYPDWQUSL-SNVBAGLBSA-N 2 0 214.353 1.077 20 0 BDADRP C[NH2+]C[C@@H]1CCCCN1CC[C@@H]1CCC[NH2+]C1 ZINC000903529215 637367225 /nfs/dbraw/zinc/36/72/25/637367225.db2.gz PMGLYMJBMTUJDN-KBPBESRZSA-N 2 0 239.407 1.450 20 0 BDADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000903564544 637370024 /nfs/dbraw/zinc/37/00/24/637370024.db2.gz ZASLJONJAZWRKW-UPJWGTAASA-N 2 0 228.380 1.325 20 0 BDADRP Cn1nccc1[C@@H]1CCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000903566359 637372259 /nfs/dbraw/zinc/37/22/59/637372259.db2.gz QURWTGFDVUEEHK-JSGCOSHPSA-N 2 0 248.374 1.557 20 0 BDADRP CC[N@H+](CC(C)C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903722952 637379625 /nfs/dbraw/zinc/37/96/25/637379625.db2.gz QWQVROUTYHXAOZ-KGLIPLIRSA-N 2 0 240.391 1.733 20 0 BDADRP CC(C)C[N@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903725468 637379680 /nfs/dbraw/zinc/37/96/80/637379680.db2.gz ZXSBMSPDODAUJZ-STQMWFEESA-N 2 0 226.364 1.343 20 0 BDADRP OC[C@@H]1CCCCC[N@@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903788224 637381744 /nfs/dbraw/zinc/38/17/44/637381744.db2.gz GKRVETWAQGIKFM-KGLIPLIRSA-N 2 0 240.391 1.613 20 0 BDADRP CC(C)(C)[NH2+]CCN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000904429381 637398218 /nfs/dbraw/zinc/39/82/18/637398218.db2.gz GEFMIBUJWZFJEZ-CQSZACIVSA-N 2 0 239.407 1.593 20 0 BDADRP Oc1cncc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000904434734 637402457 /nfs/dbraw/zinc/40/24/57/637402457.db2.gz YIWYYNSNPWBEKR-YNEHKIRRSA-N 2 0 247.342 1.265 20 0 BDADRP Oc1cncc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000904434732 637403233 /nfs/dbraw/zinc/40/32/33/637403233.db2.gz YIWYYNSNPWBEKR-JHJVBQTASA-N 2 0 247.342 1.265 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+](C)Cc2cccc(=O)[nH]2)CC[NH2+]1 ZINC000904442736 637411339 /nfs/dbraw/zinc/41/13/39/637411339.db2.gz GFNVALRZLYSOLM-VXGBXAGGSA-N 2 0 249.358 1.607 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CNCC1([NH3+])CC1 ZINC000904444882 637413317 /nfs/dbraw/zinc/41/33/17/637413317.db2.gz UWTIZJVJEQTXQC-JTQLQIEISA-N 2 0 213.369 1.221 20 0 BDADRP CC1(C)C[NH2+]C[C@@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000904460692 637420569 /nfs/dbraw/zinc/42/05/69/637420569.db2.gz BWBDQIRLUSGMML-MNOVXSKESA-N 2 0 212.337 1.001 20 0 BDADRP C[C@H]1C[NH2+]C[C@H](N[C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000904458244 637421351 /nfs/dbraw/zinc/42/13/51/637421351.db2.gz CQBZOGCNMMTXNF-PZTHBURQSA-N 2 0 245.370 1.199 20 0 BDADRP CC(C)C[C@H]([NH3+])CNc1ccccc1C[NH3+] ZINC000904485122 637426941 /nfs/dbraw/zinc/42/69/41/637426941.db2.gz MEVCUGKFZHOPFB-LBPRGKRZSA-N 2 0 221.348 1.931 20 0 BDADRP CSCC(C)(C)[NH2+]C[C@H]([NH3+])CC(F)F ZINC000904477413 637428577 /nfs/dbraw/zinc/42/85/77/637428577.db2.gz VTEDNIBIMXQCNC-SSDOTTSWSA-N 2 0 226.336 1.700 20 0 BDADRP Nc1cc[nH+]cc1-c1cnn(C2CC[NH2+]CC2)c1 ZINC000904765558 637475285 /nfs/dbraw/zinc/47/52/85/637475285.db2.gz FXYWNVBLSRUEHW-UHFFFAOYSA-N 2 0 243.314 1.282 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000904931157 637533864 /nfs/dbraw/zinc/53/38/64/637533864.db2.gz JLUTXYMIQVAHOY-WGBDABJCSA-N 2 0 241.379 1.007 20 0 BDADRP C[C@H](C[NH3+])n1cc(C[N@H+](C)C(C)(C)C)nn1 ZINC000905056711 637588482 /nfs/dbraw/zinc/58/84/82/637588482.db2.gz DMKWPHDCPLKABA-SECBINFHSA-N 2 0 225.340 1.028 20 0 BDADRP C[C@H](O)C[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000905601862 637852560 /nfs/dbraw/zinc/85/25/60/637852560.db2.gz RFEGDPPXQIGGNL-HIFPTAJRSA-N 2 0 226.364 1.364 20 0 BDADRP Cc1cccc([C@H](O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000905916105 637972351 /nfs/dbraw/zinc/97/23/51/637972351.db2.gz XXJMZJKIVWSFFL-QLFBSQMISA-N 2 0 246.354 1.180 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(OC(F)F)cc2)C1 ZINC000906508736 638181224 /nfs/dbraw/zinc/18/12/24/638181224.db2.gz XDXUXILOVNXNSP-MGCOHNPYSA-N 2 0 242.269 1.867 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(-n3cccn3)cc2)C1 ZINC000906508687 638181439 /nfs/dbraw/zinc/18/14/39/638181439.db2.gz UWRKHYGWHREVKY-JOCQHMNTSA-N 2 0 242.326 1.452 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2cc(F)cc3cccnc32)C1 ZINC000906508635 638181559 /nfs/dbraw/zinc/18/15/59/638181559.db2.gz SCFCQDMCDFZSLD-JOCQHMNTSA-N 2 0 245.301 1.953 20 0 BDADRP COc1cc(C[NH2+]C2CC([NH3+])C2)ccc1C ZINC000906509896 638181597 /nfs/dbraw/zinc/18/15/97/638181597.db2.gz AECZXHSDIVJRFC-UHFFFAOYSA-N 2 0 220.316 1.583 20 0 BDADRP [NH3+]C1CC([NH2+]Cc2ccc(F)c3cccnc23)C1 ZINC000906509288 638181669 /nfs/dbraw/zinc/18/16/69/638181669.db2.gz FRFXCTAFAJYWMO-UHFFFAOYSA-N 2 0 245.301 1.953 20 0 BDADRP CCOc1cccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)c1 ZINC000906508714 638181765 /nfs/dbraw/zinc/18/17/65/638181765.db2.gz WCXLZTWJFACXDW-HAQNSBGRSA-N 2 0 220.316 1.665 20 0 BDADRP Cc1cc(F)ccc1C[NH2+]C1CC([NH3+])C1 ZINC000906510103 638183745 /nfs/dbraw/zinc/18/37/45/638183745.db2.gz MQDVOYAIMALYIP-UHFFFAOYSA-N 2 0 208.280 1.713 20 0 BDADRP Cc1cc(C[NH2+]C2CC([NH3+])C2)c(C)s1 ZINC000906510742 638184205 /nfs/dbraw/zinc/18/42/05/638184205.db2.gz UGNQVJNOJZATMY-UHFFFAOYSA-N 2 0 210.346 1.944 20 0 BDADRP [NH3+]C1CC([NH2+]CCSCc2ccccc2)C1 ZINC000906511474 638185788 /nfs/dbraw/zinc/18/57/88/638185788.db2.gz VVKHEHQUSZFXOM-UHFFFAOYSA-N 2 0 236.384 1.999 20 0 BDADRP [NH3+]C1CC(N[C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000906511461 638186284 /nfs/dbraw/zinc/18/62/84/638186284.db2.gz UODZOTLCPKVPKT-SHWKFHJASA-N 2 0 245.370 1.559 20 0 BDADRP C[C@H](C[NH2+][C@H]1C[C@H]([NH3+])C1)c1ccccc1 ZINC000906517006 638187309 /nfs/dbraw/zinc/18/73/09/638187309.db2.gz BZQALMTUINOYSR-RAIGVLPGSA-N 2 0 204.317 1.869 20 0 BDADRP CCOc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)cc1F ZINC000906517937 638187359 /nfs/dbraw/zinc/18/73/59/638187359.db2.gz JYSNODGDWOAXAX-XYPYZODXSA-N 2 0 238.306 1.804 20 0 BDADRP [NH3+][C@H]1C[C@H](N[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000906518906 638187882 /nfs/dbraw/zinc/18/78/82/638187882.db2.gz UODZOTLCPKVPKT-ZQDZILKHSA-N 2 0 245.370 1.559 20 0 BDADRP CCCC[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000906534492 638200827 /nfs/dbraw/zinc/20/08/27/638200827.db2.gz RYTIQQXNNYYUJT-NSHDSACASA-N 2 0 214.353 1.221 20 0 BDADRP C[NH2+]CCCCC(=O)NCC1([NH3+])CCCCC1 ZINC000911647188 639701915 /nfs/dbraw/zinc/70/19/15/639701915.db2.gz SXOIJDWJULYJOK-UHFFFAOYSA-N 2 0 241.379 1.154 20 0 BDADRP [NH3+]Cc1ccccc1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000911713155 639739186 /nfs/dbraw/zinc/73/91/86/639739186.db2.gz FZIJCXIOSBPWJG-LBPRGKRZSA-N 2 0 247.342 1.017 20 0 BDADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000911712741 639739827 /nfs/dbraw/zinc/73/98/27/639739827.db2.gz DCAWRLADWIGDDR-SDDRHHMPSA-N 2 0 241.379 1.008 20 0 BDADRP CC[C@H](C)C[C@H]([NH3+])C(=O)NC(CC)(CC)C[NH3+] ZINC000911800142 639823082 /nfs/dbraw/zinc/82/30/82/639823082.db2.gz OOQFXWRBHRTHHB-QWRGUYRKSA-N 2 0 243.395 1.384 20 0 BDADRP CC(C)C[C@@H](C[NH3+])NC(=O)C[C@H]([NH3+])C(C)(C)C ZINC000911822373 639835721 /nfs/dbraw/zinc/83/57/21/639835721.db2.gz YMWMNJFPQGQHHO-QWRGUYRKSA-N 2 0 243.395 1.240 20 0 BDADRP CC(C)C[C@@H]([NH3+])CC(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000911834520 639845564 /nfs/dbraw/zinc/84/55/64/639845564.db2.gz VNJSVOVTMFIGKL-YPMHNXCESA-N 2 0 243.395 1.240 20 0 BDADRP CC[C@@H](C)C[C@H]([NH3+])C(=O)N(C)CC(C)(C)C[NH3+] ZINC000911867868 639853479 /nfs/dbraw/zinc/85/34/79/639853479.db2.gz NVCMDZGZFDHHMS-MNOVXSKESA-N 2 0 243.395 1.193 20 0 BDADRP C[NH2+]C1(C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)CCC1 ZINC000911846116 639854881 /nfs/dbraw/zinc/85/48/81/639854881.db2.gz LNGGJBWJLZYVRZ-SNVBAGLBSA-N 2 0 247.342 1.787 20 0 BDADRP CC(C)([NH3+])CNC(=O)[C@@H]([NH3+])C1CCCCCC1 ZINC000911845029 639855038 /nfs/dbraw/zinc/85/50/38/639855038.db2.gz GAOBMXNTWFTJCU-NSHDSACASA-N 2 0 241.379 1.138 20 0 BDADRP C[C@@H]1[C@H]([NH+](C)C)CCN1CC[NH+]1CCCC1 ZINC000931038227 640033504 /nfs/dbraw/zinc/03/35/04/640033504.db2.gz PGMVLSBJEJFAAM-CHWSQXEVSA-N 2 0 225.380 1.107 20 0 BDADRP CO[C@@H](C)C[N@@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931310809 640146429 /nfs/dbraw/zinc/14/64/29/640146429.db2.gz HZQMRELEFHCWEG-RWMBFGLXSA-N 2 0 226.364 1.295 20 0 BDADRP C[NH+](C)C1(C)CC[NH+](CC2(C)COC2)CC1 ZINC000931351511 640161187 /nfs/dbraw/zinc/16/11/87/640161187.db2.gz PEMNFYYHFGFEGW-UHFFFAOYSA-N 2 0 226.364 1.439 20 0 BDADRP C[NH+](C)C1(C)CC[NH+](C[C@H]2CCOC2)CC1 ZINC000931350066 640168213 /nfs/dbraw/zinc/16/82/13/640168213.db2.gz RKYAENKXNHWCMR-GFCCVEGCSA-N 2 0 226.364 1.439 20 0 BDADRP COC/C(C)=C/C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931443448 640205413 /nfs/dbraw/zinc/20/54/13/640205413.db2.gz YEDRCFBMRBPHKC-QSTROWBPSA-N 2 0 238.375 1.463 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](CC3CC=CC3)C[C@@H]2C1 ZINC000931441681 640207939 /nfs/dbraw/zinc/20/79/39/640207939.db2.gz MWORVLIGVYSKMD-KGLIPLIRSA-N 2 0 220.360 1.836 20 0 BDADRP Nc1ccnc2c1C[N@H+](C[C@H]1CCOC1)CC2 ZINC000931512358 640242049 /nfs/dbraw/zinc/24/20/49/640242049.db2.gz XNKMFECDNFQCJW-SNVBAGLBSA-N 2 0 233.315 1.058 20 0 BDADRP COCC[C@H](C)[N@@H+]1CCc2nccc(N)c2C1 ZINC000931512166 640242832 /nfs/dbraw/zinc/24/28/32/640242832.db2.gz FYFMBXSKLDYGLP-JTQLQIEISA-N 2 0 235.331 1.447 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CN1CCc2[nH+]ccc(N)c2C1 ZINC000931516651 640246428 /nfs/dbraw/zinc/24/64/28/640246428.db2.gz WWYHOFIKCMPFEV-LLVKDONJSA-N 2 0 246.358 1.116 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000924853528 640288489 /nfs/dbraw/zinc/28/84/89/640288489.db2.gz PABQWKWYKZWQGG-MNOVXSKESA-N 2 0 237.347 1.778 20 0 BDADRP C[C@H](CC[NH+](C)C)N[C@H](C)c1ccnnc1 ZINC000924853572 640289503 /nfs/dbraw/zinc/28/95/03/640289503.db2.gz PHSDWWNQPVQJHE-GHMZBOCLSA-N 2 0 222.336 1.467 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCS[C@@H](C)[C@@H]1C ZINC000222027242 640450970 /nfs/dbraw/zinc/45/09/70/640450970.db2.gz VKHAWIJOKKCWGO-RHYQMDGZSA-N 2 0 228.405 1.668 20 0 BDADRP C[C@H]1CC[N@H+](CC[C@H]2CCC[NH+]2C)CCO1 ZINC000932346144 640487068 /nfs/dbraw/zinc/48/70/68/640487068.db2.gz FUKJKCGCHIXKHW-QWHCGFSZSA-N 2 0 226.364 1.582 20 0 BDADRP CC[N@H+](CCC[NH+]1CCCCC1)CCC(N)=O ZINC000932478680 640545727 /nfs/dbraw/zinc/54/57/27/640545727.db2.gz JOKMBAIPKHDGAQ-UHFFFAOYSA-N 2 0 241.379 1.060 20 0 BDADRP C[N@@H+]1C[C@@H]2C[NH+](CCOC(C)(C)C)C[C@]2(C)C1 ZINC000933737941 640760250 /nfs/dbraw/zinc/76/02/50/640760250.db2.gz VYBSSCOMYOSZAM-OCCSQVGLSA-N 2 0 240.391 1.685 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@H+](CCCCCCO)C1 ZINC000226418779 640762549 /nfs/dbraw/zinc/76/25/49/640762549.db2.gz XKIDBSXYHJMQJA-CYBMUJFWSA-N 2 0 228.380 1.471 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCCCCCO)C1 ZINC000226540785 640773250 /nfs/dbraw/zinc/77/32/50/640773250.db2.gz KXTHJEVRMWPTET-NEPJUHHUSA-N 2 0 214.353 1.208 20 0 BDADRP C[C@H](CN[C@H]1C[C@@H]([NH3+])c2ccccc21)[NH+](C)C ZINC000227539166 640838628 /nfs/dbraw/zinc/83/86/28/640838628.db2.gz MSRNGOLBJHWBGG-HONMWMINSA-N 2 0 233.359 1.671 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227542879 640838634 /nfs/dbraw/zinc/83/86/34/640838634.db2.gz FWEUKUPVMIDZJJ-GSVCSZOMSA-N 2 0 232.327 1.898 20 0 BDADRP CS[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000169068772 640841545 /nfs/dbraw/zinc/84/15/45/640841545.db2.gz FCCMTBDJNQJSFL-GMTAPVOTSA-N 2 0 216.394 1.845 20 0 BDADRP CC(C)(C)NC(=O)CC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000228335735 640870763 /nfs/dbraw/zinc/87/07/63/640870763.db2.gz GFABVYDYNSZTNV-WDEREUQCSA-N 2 0 241.379 1.008 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cncs3)C[C@H]21 ZINC000228535817 640879964 /nfs/dbraw/zinc/87/99/64/640879964.db2.gz SSFLHKJCCXDLLQ-YUSALJHKSA-N 2 0 237.372 1.702 20 0 BDADRP CSCC[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000228873848 640901499 /nfs/dbraw/zinc/90/14/99/640901499.db2.gz VVFZEPCBIGXUOM-AXFHLTTASA-N 2 0 216.394 1.988 20 0 BDADRP C[NH+]1CCC(C[NH2+]C[C@H]2CCCS2)CC1 ZINC000087667791 640963996 /nfs/dbraw/zinc/96/39/96/640963996.db2.gz JLZMAIXJVVJSGF-GFCCVEGCSA-N 2 0 228.405 1.813 20 0 BDADRP CCCNC(=[NH2+])NC[C@@H](C)C[NH+]1CCCC1 ZINC000062072513 641020227 /nfs/dbraw/zinc/02/02/27/641020227.db2.gz LQLUTDDIHZIBBG-LLVKDONJSA-N 2 0 226.368 1.242 20 0 BDADRP Cc1ccc(C[NH2+]C[C@@H]2CC[NH2+]C2)s1 ZINC000062117129 641023134 /nfs/dbraw/zinc/02/31/34/641023134.db2.gz FJTNFRJXVJRRHW-SNVBAGLBSA-N 2 0 210.346 1.756 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000230686003 641086478 /nfs/dbraw/zinc/08/64/78/641086478.db2.gz KQCAVZUWPJXJKO-AGIUHOORSA-N 2 0 228.380 1.645 20 0 BDADRP C(C[NH2+]C1CC1)CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062967732 641112434 /nfs/dbraw/zinc/11/24/34/641112434.db2.gz WTFJRNXHSZFEBP-CQSZACIVSA-N 2 0 237.391 1.299 20 0 BDADRP C[NH+]1CCC(C[NH2+]CCC(F)(F)F)CC1 ZINC000063099660 641131334 /nfs/dbraw/zinc/13/13/34/641131334.db2.gz PGPJDGJATSFEBD-UHFFFAOYSA-N 2 0 224.270 1.870 20 0 BDADRP C[C@@H]1C[C@H]1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261553189 641445432 /nfs/dbraw/zinc/44/54/32/641445432.db2.gz SHGKIVNOEZGYBT-UCEQBCCISA-N 2 0 208.349 1.857 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H]2COCC2(C)C)CC1 ZINC000313094816 641531570 /nfs/dbraw/zinc/53/15/70/641531570.db2.gz CYQFNEQUHPLHCU-CYBMUJFWSA-N 2 0 240.391 1.733 20 0 BDADRP CC[NH+](CC)C[C@H](C)NC(=O)CCCCC[NH3+] ZINC000041680080 641545173 /nfs/dbraw/zinc/54/51/73/641545173.db2.gz DCJJMWRYZWLTLP-LBPRGKRZSA-N 2 0 243.395 1.352 20 0 BDADRP CC[N@H+](CCC1CC[NH2+]CC1)C[C@H]1CCCO1 ZINC000042468764 641551590 /nfs/dbraw/zinc/55/15/90/641551590.db2.gz UGWIOPVDXPUDQV-CQSZACIVSA-N 2 0 240.391 1.877 20 0 BDADRP CCOC1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000042361921 641552596 /nfs/dbraw/zinc/55/25/96/641552596.db2.gz QQMIAZYMFOMIHO-UHFFFAOYSA-N 2 0 226.364 1.629 20 0 BDADRP CCC[NH2+]CC[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000158652774 641643604 /nfs/dbraw/zinc/64/36/04/641643604.db2.gz XXYLDFXVIVXDLV-GHMZBOCLSA-N 2 0 200.326 1.001 20 0 BDADRP Cc1cc(NCC[N@H+]2CCCC[C@H]2C)nc(N)[nH+]1 ZINC000917068847 642002495 /nfs/dbraw/zinc/00/24/95/642002495.db2.gz CFVNQBIZRAUMGM-LLVKDONJSA-N 2 0 249.362 1.654 20 0 BDADRP CC(C)([NH3+])CC[NH2+]C1CCSCC1 ZINC000308185561 642482667 /nfs/dbraw/zinc/48/26/67/642482667.db2.gz FIEJOUDWFDXMQW-UHFFFAOYSA-N 2 0 202.367 1.599 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCCCO1 ZINC000925480356 642500437 /nfs/dbraw/zinc/50/04/37/642500437.db2.gz JSKVBLHVVUENAH-VZANTVGXSA-N 2 0 238.375 1.661 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCCCCCO)CC[N@@H+]1C ZINC000182147181 642960425 /nfs/dbraw/zinc/96/04/25/642960425.db2.gz IWRQNYMTHIZSSQ-CHWSQXEVSA-N 2 0 228.380 1.611 20 0 BDADRP COCC1CC[NH+](C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000070084586 642969286 /nfs/dbraw/zinc/96/92/86/642969286.db2.gz BROQQOBMHRIOAG-AWEZNQCLSA-N 2 0 240.391 1.735 20 0 BDADRP Cc1noc(C)c1C[NH2+]C1CCC([NH3+])CC1 ZINC000070130376 642974723 /nfs/dbraw/zinc/97/47/23/642974723.db2.gz ABAPTRCUQBBGRV-UHFFFAOYSA-N 2 0 223.320 1.651 20 0 BDADRP CC(C)NC(=[NH2+])NCC[N@H+](C)C1CCCC1 ZINC000070946492 643086663 /nfs/dbraw/zinc/08/66/63/643086663.db2.gz MEFXTKHQZOIENB-UHFFFAOYSA-N 2 0 226.368 1.383 20 0 BDADRP CCCC[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000020200425 643312123 /nfs/dbraw/zinc/31/21/23/643312123.db2.gz OXSPSDTYGYGGIJ-UHFFFAOYSA-N 2 0 227.396 1.402 20 0 BDADRP C[C@@H]([NH2+]CCCCCC[NH3+])[C@@H]1CCCC[NH2+]1 ZINC000843344396 643343237 /nfs/dbraw/zinc/34/32/37/643343237.db2.gz YYBXALKYEBPCJM-OLZOCXBDSA-N 3 0 227.396 1.626 20 0 BDADRP ClC1(Cl)C[C@@H]1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000306998181 643383073 /nfs/dbraw/zinc/38/30/73/643383073.db2.gz XURMQYZWIPQORB-IWSPIJDZSA-N 2 0 235.158 1.331 20 0 BDADRP CSCC[NH2+]CC1CC[NH+](C)CC1 ZINC000068994114 643436697 /nfs/dbraw/zinc/43/66/97/643436697.db2.gz YWDQKUAHTORAPF-UHFFFAOYSA-N 2 0 202.367 1.281 20 0 BDADRP CCOCC[N@H+](CC)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000085015946 643522711 /nfs/dbraw/zinc/52/27/11/643522711.db2.gz DSRAQJZDOWVLHZ-NEPJUHHUSA-N 2 0 214.353 1.472 20 0 BDADRP COCCC[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000085015792 643522819 /nfs/dbraw/zinc/52/28/19/643522819.db2.gz BTMVTYFZOHWANQ-MNOVXSKESA-N 2 0 200.326 1.082 20 0 BDADRP C[NH+](C)CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000307698642 643581407 /nfs/dbraw/zinc/58/14/07/643581407.db2.gz IGLYHOOOZUCQGC-UHFFFAOYSA-N 2 0 248.370 1.575 20 0 BDADRP C[NH+](C)CCCC[NH2+]Cc1cnn(CCF)c1 ZINC000921618093 643622965 /nfs/dbraw/zinc/62/29/65/643622965.db2.gz SLENSKOUJMBZLF-UHFFFAOYSA-N 2 0 242.342 1.284 20 0 BDADRP CC(C)[N@H+](C)CCN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000084221553 643649642 /nfs/dbraw/zinc/64/96/42/643649642.db2.gz HHPAYLYTWCEPQT-VXGBXAGGSA-N 2 0 213.369 1.044 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1nccs1 ZINC000084216783 643650228 /nfs/dbraw/zinc/65/02/28/643650228.db2.gz VGRZYZGMTIWQRQ-QWRGUYRKSA-N 2 0 239.388 1.793 20 0 BDADRP CC[NH+](CC)CCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000084217622 643650457 /nfs/dbraw/zinc/65/04/57/643650457.db2.gz VUWIGCXFXCXDNR-NEPJUHHUSA-N 2 0 213.369 1.045 20 0 BDADRP CC[NH+](CC)CCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000084217624 643651924 /nfs/dbraw/zinc/65/19/24/643651924.db2.gz VUWIGCXFXCXDNR-NWDGAFQWSA-N 2 0 213.369 1.045 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C[C@@H]2CCC=CO2)C1 ZINC000050269471 643672456 /nfs/dbraw/zinc/67/24/56/643672456.db2.gz NPFLSUMEJCTTDD-KGLIPLIRSA-N 2 0 238.375 1.999 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@@H]1CCC=CO1 ZINC000050269603 643673068 /nfs/dbraw/zinc/67/30/68/643673068.db2.gz GHWLILQMMOOWET-RYUDHWBXSA-N 2 0 212.337 1.609 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+]C(C2CC2)C2CC2)C1 ZINC000085015262 643678629 /nfs/dbraw/zinc/67/86/29/643678629.db2.gz SPYJJCXCRWCIBU-JOYOIKCWSA-N 2 0 208.349 1.892 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cc[nH]c(=O)c2)C1 ZINC000922224982 643909720 /nfs/dbraw/zinc/90/97/20/643909720.db2.gz OUERSHXMGRVQAL-TXEJJXNPSA-N 2 0 235.331 1.217 20 0 BDADRP CCO[C@@H](CNCc1cccn1C)C[NH+](C)C ZINC000922756580 644087190 /nfs/dbraw/zinc/08/71/90/644087190.db2.gz LVGWHWGUWYHHFW-ZDUSSCGKSA-N 2 0 239.363 1.081 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCCCCCO ZINC000228659100 644141244 /nfs/dbraw/zinc/14/12/44/644141244.db2.gz OXVMYWUBVQFXLJ-VXGBXAGGSA-N 2 0 214.353 1.208 20 0 BDADRP COC[C@@H]1CC[N@H+](CCCCCCC[NH3+])C1 ZINC000081069390 644306800 /nfs/dbraw/zinc/30/68/00/644306800.db2.gz SPEHVKRYTLRXED-CYBMUJFWSA-N 2 0 228.380 1.864 20 0 BDADRP CCOCCOCC[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000923284019 644308727 /nfs/dbraw/zinc/30/87/27/644308727.db2.gz GWYPONIAGHRXDP-LBPRGKRZSA-N 2 0 244.379 1.099 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000923280933 644314087 /nfs/dbraw/zinc/31/40/87/644314087.db2.gz KHKGPZYFMKSRQK-GWCFXTLKSA-N 2 0 238.306 1.140 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000923281612 644316073 /nfs/dbraw/zinc/31/60/73/644316073.db2.gz QGCMHXWGKKCCHC-LSDHHAIUSA-N 2 0 248.370 1.261 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@H](O)CCC(C)C)C1 ZINC000923285121 644318202 /nfs/dbraw/zinc/31/82/02/644318202.db2.gz ABHPJBUVBLSZQT-QWHCGFSZSA-N 2 0 228.380 1.325 20 0 BDADRP CC[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C(C)C ZINC000923301856 644337164 /nfs/dbraw/zinc/33/71/64/644337164.db2.gz ZDUMMGYUUIIVES-NSHDSACASA-N 2 0 212.337 1.095 20 0 BDADRP CC[N@H+](CCc1ccccc1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923306751 644338100 /nfs/dbraw/zinc/33/81/00/644338100.db2.gz OFTQMSMNWATHOD-KKUMJFAQSA-N 2 0 248.370 1.402 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCC[NH2+]C3CC3)C[C@H]21 ZINC000923330822 644350114 /nfs/dbraw/zinc/35/01/14/644350114.db2.gz CEPGNAFHQXUFHS-MRVWCRGKSA-N 3 0 237.391 1.188 20 0 BDADRP C[N@H+](C[C@H](O)Cc1ccccc1)C1CC([NH3+])C1 ZINC000923363704 644376390 /nfs/dbraw/zinc/37/63/90/644376390.db2.gz YMPLVIKECGHKDI-JXQTWKCFSA-N 2 0 234.343 1.012 20 0 BDADRP CC(C)CC[C@H](O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000923356778 644376556 /nfs/dbraw/zinc/37/65/56/644376556.db2.gz ULHGJWLONJUHDK-STQMWFEESA-N 2 0 228.380 1.454 20 0 BDADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCCC3(CCCC3)C2)C1 ZINC000923370137 644381350 /nfs/dbraw/zinc/38/13/50/644381350.db2.gz BYRSEZBRHIWMAL-AVGNSLFASA-N 2 0 238.375 1.493 20 0 BDADRP [NH3+]CC(C[NH3+])N[C@H]1CCc2c1cccc2Cl ZINC000923359505 644384821 /nfs/dbraw/zinc/38/48/21/644384821.db2.gz SGUNQDZWNDKCSZ-LBPRGKRZSA-N 2 0 239.750 1.203 20 0 BDADRP CCC[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923373078 644388538 /nfs/dbraw/zinc/38/85/38/644388538.db2.gz LPIUPIXBAYMFSA-LBPRGKRZSA-N 2 0 224.348 1.239 20 0 BDADRP CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923379299 644390726 /nfs/dbraw/zinc/39/07/26/644390726.db2.gz OSPRIXLVGCUBMF-SDDRHHMPSA-N 2 0 226.364 1.389 20 0 BDADRP Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@H]([NH3+])C[C@@H]2O)cc1C ZINC000923378084 644390787 /nfs/dbraw/zinc/39/07/87/644390787.db2.gz ZQTOIUNURFLISI-UNQGMJICSA-N 2 0 248.370 1.805 20 0 BDADRP Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@H]([NH3+])C[C@@H]2O)c1C ZINC000923380398 644393627 /nfs/dbraw/zinc/39/36/27/644393627.db2.gz WLBDRECEVRPCBJ-DHMWGJHJSA-N 2 0 248.370 1.805 20 0 BDADRP C(C[NH2+]C1CC1)C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000923395868 644402245 /nfs/dbraw/zinc/40/22/45/644402245.db2.gz WHIMVXFXPYBSIG-CQSZACIVSA-N 2 0 238.375 1.631 20 0 BDADRP C[C@@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H](C)C1(F)F ZINC000923398621 644404451 /nfs/dbraw/zinc/40/44/51/644404451.db2.gz MHLLFVZYWVISIP-SSRBZLIGSA-N 2 0 248.317 1.060 20 0 BDADRP CC1(F)CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923414269 644416109 /nfs/dbraw/zinc/41/61/09/644416109.db2.gz BGBGWRFKUFLYCZ-NSHDSACASA-N 2 0 242.338 1.189 20 0 BDADRP C[C@H]1C[C@@H]([NH3+])CN1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923413584 644416746 /nfs/dbraw/zinc/41/67/46/644416746.db2.gz RBGIZTXJNBVCOP-KZWUZSNJSA-N 2 0 237.391 1.329 20 0 BDADRP C(C[NH2+]C1CC1)C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000923426032 644419259 /nfs/dbraw/zinc/41/92/59/644419259.db2.gz BKZVXUPJCLADLO-TZMCWYRMSA-N 2 0 238.375 1.629 20 0 BDADRP CC(C)CC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000923427513 644422739 /nfs/dbraw/zinc/42/27/39/644422739.db2.gz BEXJILOGNFMQLF-MGPQQGTHSA-N 2 0 242.407 1.700 20 0 BDADRP Cc1ccc([C@H](O)C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)cc1 ZINC000923419820 644425367 /nfs/dbraw/zinc/42/53/67/644425367.db2.gz DMJDPRBMORCGQF-MCIONIFRSA-N 2 0 248.370 1.744 20 0 BDADRP CC(C)[C@H](C)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923445554 644429474 /nfs/dbraw/zinc/42/94/74/644429474.db2.gz KGLSIPNDGITUKP-QWHCGFSZSA-N 2 0 240.391 1.861 20 0 BDADRP C(CC1CCC1)C[N@@H+]1CCNCC[NH2+]CC1 ZINC000923461359 644446029 /nfs/dbraw/zinc/44/60/29/644446029.db2.gz WDLGKFWLAKHERC-UHFFFAOYSA-N 2 0 225.380 1.062 20 0 BDADRP CO[C@@H](C[N@@H+]1CC[C@H](CC[NH3+])C1)C1CCCC1 ZINC000923481344 644460368 /nfs/dbraw/zinc/46/03/68/644460368.db2.gz QKJULEDYNNTYRY-JSGCOSHPSA-N 2 0 240.391 1.862 20 0 BDADRP CC(C)OC(=O)CC[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923496216 644461649 /nfs/dbraw/zinc/46/16/49/644461649.db2.gz GUFFTDNJEAYKLN-NWDGAFQWSA-N 2 0 242.363 1.245 20 0 BDADRP COCCCCC[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923495702 644463787 /nfs/dbraw/zinc/46/37/87/644463787.db2.gz FCWSKFVIZOZFCW-CHWSQXEVSA-N 2 0 228.380 1.720 20 0 BDADRP Cc1nc(C)c(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)o1 ZINC000923490418 644466124 /nfs/dbraw/zinc/46/61/24/644466124.db2.gz NYRWGTZHCLTXRK-CABZTGNLSA-N 2 0 237.347 1.708 20 0 BDADRP Cc1cncc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC000923492128 644466896 /nfs/dbraw/zinc/46/68/96/644466896.db2.gz WCQBAUJOMBFRTJ-TZMCWYRMSA-N 2 0 233.359 1.807 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccns2)CC[C@H]1C[NH3+] ZINC000923492136 644467053 /nfs/dbraw/zinc/46/70/53/644467053.db2.gz WGEQKMQAHYPIBV-ZJUUUORDSA-N 2 0 225.361 1.560 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)C1 ZINC000923491940 644468595 /nfs/dbraw/zinc/46/85/95/644468595.db2.gz VIAKSFPDYTWUKP-LPWJVIDDSA-N 2 0 226.364 1.328 20 0 BDADRP COCC[C@H](C)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923496904 644470008 /nfs/dbraw/zinc/47/00/08/644470008.db2.gz KEYGXZMTUHTESP-GRYCIOLGSA-N 2 0 214.353 1.328 20 0 BDADRP COCC[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923503312 644470436 /nfs/dbraw/zinc/47/04/36/644470436.db2.gz IVMNJTPTIALSBI-CYBMUJFWSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1C[NH3+] ZINC000923499459 644471761 /nfs/dbraw/zinc/47/17/61/644471761.db2.gz KZHAQRZULDTPCC-NEPJUHHUSA-N 2 0 219.332 1.498 20 0 BDADRP CCSCC[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923500921 644474609 /nfs/dbraw/zinc/47/46/09/644474609.db2.gz RXVCPKWUQUUORN-MNOVXSKESA-N 2 0 216.394 1.656 20 0 BDADRP CCO[C@@H](C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1)C1CC1 ZINC000923515893 644479185 /nfs/dbraw/zinc/47/91/85/644479185.db2.gz LLWKXASGCSEEPY-RTXFEEFZSA-N 2 0 226.364 1.328 20 0 BDADRP Cc1ccc([C@@H](O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923515430 644479539 /nfs/dbraw/zinc/47/95/39/644479539.db2.gz UPKBSCVMWONHMW-YUELXQCFSA-N 2 0 248.370 1.555 20 0 BDADRP Fc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923522251 644487725 /nfs/dbraw/zinc/48/77/25/644487725.db2.gz YQHZHIKAQVBJAI-QWHCGFSZSA-N 2 0 234.318 1.867 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCOC[C@@H]2CC2CC2)C1 ZINC000923555196 644497976 /nfs/dbraw/zinc/49/79/76/644497976.db2.gz QUQNCXLRXZZKDC-MJBXVCDLSA-N 2 0 238.375 1.615 20 0 BDADRP C[C@H](CN[C@@H]1CCC[C@@H]1C[NH3+])[NH+]1CCCCC1 ZINC000089150230 644536047 /nfs/dbraw/zinc/53/60/47/644536047.db2.gz WMSHLBIWJVKXNF-MGPQQGTHSA-N 2 0 239.407 1.578 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCN1CCCCC1 ZINC000089145772 644536365 /nfs/dbraw/zinc/53/63/65/644536365.db2.gz KCCMDXPJTQCAIL-KGLIPLIRSA-N 2 0 239.407 1.579 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)C[C@H]1CCCO1 ZINC000249962902 644745347 /nfs/dbraw/zinc/74/53/47/644745347.db2.gz DQRRMQIZWMGART-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP c1cn(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cn1 ZINC000250249961 644749695 /nfs/dbraw/zinc/74/96/95/644749695.db2.gz OQSMGLOUNNHOLZ-MGPQQGTHSA-N 2 0 248.374 1.393 20 0 BDADRP CC(C)(C)[NH2+]CCN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000250676856 644776775 /nfs/dbraw/zinc/77/67/75/644776775.db2.gz BPOFBYPTHYYQNR-ZDUSSCGKSA-N 2 0 239.407 1.545 20 0 BDADRP CN1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000796749573 644813439 /nfs/dbraw/zinc/81/34/39/644813439.db2.gz YSEKCVPOPPREMU-FQUUOJAGSA-N 2 0 237.391 1.153 20 0 BDADRP C[C@@H]1C[N@H+](CC2CCOCC2)CC[C@H]1C[NH3+] ZINC000251693910 644816580 /nfs/dbraw/zinc/81/65/80/644816580.db2.gz ILFNAAFORSEAOE-YPMHNXCESA-N 2 0 226.364 1.330 20 0 BDADRP CC(C)(C)[NH2+]CCN1CC[C@]2(CCC[NH2+]2)C1 ZINC000415132100 644885910 /nfs/dbraw/zinc/88/59/10/644885910.db2.gz AEOWETWPFCNWCG-CYBMUJFWSA-N 2 0 225.380 1.202 20 0 BDADRP C([NH2+][C@@H]1CC[NH2+]C12CCCC2)C1CCOCC1 ZINC000843129601 645267300 /nfs/dbraw/zinc/26/73/00/645267300.db2.gz XNZVZMOCBMHFFY-CYBMUJFWSA-N 2 0 238.375 1.677 20 0 BDADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CC[C@H]2O)CC1 ZINC000926613913 645313960 /nfs/dbraw/zinc/31/39/60/645313960.db2.gz FRZYUJFMPHOIOX-ZIAGYGMSSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)C(C)(C)CO ZINC000926665518 645345181 /nfs/dbraw/zinc/34/51/81/645345181.db2.gz GIMLPJBWOPVNET-UTUOFQBUSA-N 2 0 228.380 1.323 20 0 BDADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ncc[nH]1 ZINC000844922013 645347640 /nfs/dbraw/zinc/34/76/40/645347640.db2.gz YXJDDOYHKMPQIC-VIFPVBQESA-N 2 0 208.309 1.189 20 0 BDADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCOC(F)F ZINC000852749365 645487043 /nfs/dbraw/zinc/48/70/43/645487043.db2.gz LHBNHYXTELFLAK-SECBINFHSA-N 2 0 222.279 1.429 20 0 BDADRP C[C@H]1CCC[N@H+](CCOC(F)F)[C@@H]1CC[NH3+] ZINC000852753652 645488620 /nfs/dbraw/zinc/48/86/20/645488620.db2.gz PXGDLKNLCYGIPX-VHSXEESVSA-N 2 0 236.306 1.675 20 0 BDADRP C[C@@H]1C[C@@H]1[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925488170 645502635 /nfs/dbraw/zinc/50/26/35/645502635.db2.gz BTELVZZLZRWPQV-GCHJQGSQSA-N 2 0 208.349 1.761 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)Cc2ccccn2)C1 ZINC000924704684 646092839 /nfs/dbraw/zinc/09/28/39/646092839.db2.gz GZZFSEIIXIKTGG-UONOGXRCSA-N 2 0 247.386 1.944 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCCOC1 ZINC000924726214 646097303 /nfs/dbraw/zinc/09/73/03/646097303.db2.gz LUBKZDNNMLBDTD-ICIURTGMSA-N 2 0 238.375 1.343 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000924762398 646102151 /nfs/dbraw/zinc/10/21/51/646102151.db2.gz SUWPBRRXEGSCQD-DYPLGBCKSA-N 2 0 238.375 1.220 20 0 BDADRP CC(C)[NH+]1CCC([N@H+](C)CCOC2CC2)CC1 ZINC000929470553 646130604 /nfs/dbraw/zinc/13/06/04/646130604.db2.gz MKBFFGQEWMQITD-UHFFFAOYSA-N 2 0 240.391 1.970 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCCOC1 ZINC000924990078 646153050 /nfs/dbraw/zinc/15/30/50/646153050.db2.gz VXYZACKYDIBEQH-FXJUQPSGSA-N 2 0 224.348 1.095 20 0 BDADRP CCC[N@H+](CC)CCN[C@H]1C[NH+]2C[C@@H]1CCC2 ZINC000925207001 646210306 /nfs/dbraw/zinc/21/03/06/646210306.db2.gz WBLHZDARJAZROP-KBPBESRZSA-N 2 0 239.407 1.402 20 0 BDADRP CSCCC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925504303 646305941 /nfs/dbraw/zinc/30/59/41/646305941.db2.gz NUDBEMMOTQEXRR-SECBINFHSA-N 2 0 202.367 1.470 20 0 BDADRP O[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925505687 646306785 /nfs/dbraw/zinc/30/67/85/646306785.db2.gz UMLIIDAXAPJOAF-JHJVBQTASA-N 2 0 238.375 1.554 20 0 BDADRP CC[C@H](COC)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925508779 646308120 /nfs/dbraw/zinc/30/81/20/646308120.db2.gz JFSYWXGHAPZPHY-TUAOUCFPSA-N 2 0 228.380 1.907 20 0 BDADRP C[C@H]([NH3+])[C@@H](NC1CC[NH+](C)CC1)c1ccccc1 ZINC000925511510 646310946 /nfs/dbraw/zinc/31/09/46/646310946.db2.gz ODTZKYSYQKLJRY-SWLSCSKDSA-N 2 0 247.386 1.759 20 0 BDADRP CC(C)C[C@@H](CCO)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925528704 646317409 /nfs/dbraw/zinc/31/74/09/646317409.db2.gz VWDFLHOWWPMDDY-CHWSQXEVSA-N 2 0 242.407 1.761 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000925536538 646322063 /nfs/dbraw/zinc/32/20/63/646322063.db2.gz FSSXDOLPTYGABM-WCQYABFASA-N 2 0 237.391 1.201 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@@H](N[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925540568 646322525 /nfs/dbraw/zinc/32/25/25/646322525.db2.gz CWDAZSMWCGJDMS-JHJVBQTASA-N 2 0 239.407 1.589 20 0 BDADRP COCCC1(C[NH2+][C@H]2CC[NH2+]C2(C)C)CCC1 ZINC000925559000 646333947 /nfs/dbraw/zinc/33/39/47/646333947.db2.gz VHJRXLNTNOAIQE-LBPRGKRZSA-N 2 0 240.391 1.923 20 0 BDADRP CCOCC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925562431 646336108 /nfs/dbraw/zinc/33/61/08/646336108.db2.gz OBWVUFYUBKPYMJ-WOPDTQHZSA-N 2 0 226.364 1.389 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CN[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925563233 646336307 /nfs/dbraw/zinc/33/63/07/646336307.db2.gz BHGURRQVCOASRR-RWMBFGLXSA-N 2 0 239.407 1.576 20 0 BDADRP CC1(C)[C@H]([NH2+][C@@H]2CCSC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925571183 646339275 /nfs/dbraw/zinc/33/92/75/646339275.db2.gz AWQLEAYDWYQBCS-WISYIIOYSA-N 2 0 240.416 1.858 20 0 BDADRP CC(C)C[C@H](O)C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925582349 646346302 /nfs/dbraw/zinc/34/63/02/646346302.db2.gz XUACDGSMRMXUEE-UPJWGTAASA-N 2 0 242.407 1.889 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccco2)C12CCC2 ZINC000925605496 646357049 /nfs/dbraw/zinc/35/70/49/646357049.db2.gz GWLFWMWXTSDFCL-JLLWLGSASA-N 2 0 236.315 1.173 20 0 BDADRP CCC[C@@](C)(O)CN[C@H]1CC[NH2+]C1(C)C ZINC000925610069 646359205 /nfs/dbraw/zinc/35/92/05/646359205.db2.gz CJBLATVGLUUURI-CMPLNLGQSA-N 2 0 214.353 1.268 20 0 BDADRP Cc1cnccc1CC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925627459 646374664 /nfs/dbraw/zinc/37/46/64/646374664.db2.gz YZKIMQLKIMCTPV-KBPBESRZSA-N 2 0 245.370 1.792 20 0 BDADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925636801 646380190 /nfs/dbraw/zinc/38/01/90/646380190.db2.gz UUIZMGLSHSYOMH-IJLUTSLNSA-N 2 0 226.364 1.532 20 0 BDADRP CO[C@@H]1CCC[C@H]1C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925636804 646380455 /nfs/dbraw/zinc/38/04/55/646380455.db2.gz UUIZMGLSHSYOMH-TUAOUCFPSA-N 2 0 226.364 1.532 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCC=CO1 ZINC000925644345 646383768 /nfs/dbraw/zinc/38/37/68/646383768.db2.gz LSWMURFFMFLTEI-NFMDPKQHSA-N 2 0 236.359 1.785 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H]2CCCC[C@@H]2O)C1 ZINC000925646302 646387930 /nfs/dbraw/zinc/38/79/30/646387930.db2.gz SJHZHQJSRXHLQZ-NDBYEHHHSA-N 2 0 240.391 1.786 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCC2CC(O)C2)C1 ZINC000925651560 646392211 /nfs/dbraw/zinc/39/22/11/646392211.db2.gz GEGLOHWWTFTMGP-QZQSVVMZSA-N 2 0 240.391 1.643 20 0 BDADRP CC(C)[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)C(C)(C)O ZINC000925660124 646396445 /nfs/dbraw/zinc/39/64/45/646396445.db2.gz ZZDBPWFBYVFGBP-RYUDHWBXSA-N 2 0 240.391 1.656 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CC2=CCCOC2)C1 ZINC000925672410 646403233 /nfs/dbraw/zinc/40/32/33/646403233.db2.gz INTOYXBSFSAWHB-CHWSQXEVSA-N 2 0 238.375 1.829 20 0 BDADRP CCC1(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)COC1 ZINC000925685015 646411552 /nfs/dbraw/zinc/41/15/52/646411552.db2.gz CJKQUPWNDUMIDE-VXGBXAGGSA-N 2 0 240.391 1.909 20 0 BDADRP C(C[NH2+][C@@H]1CC[NH2+]C12CCC2)C[C@H]1CCOC1 ZINC000925687226 646413118 /nfs/dbraw/zinc/41/31/18/646413118.db2.gz GLIYOLTXSURJQB-QWHCGFSZSA-N 2 0 238.375 1.677 20 0 BDADRP CCC1(C[NH2+][C@H]2CC[NH2+]C23CCCC3)COC1 ZINC000925688831 646414139 /nfs/dbraw/zinc/41/41/39/646414139.db2.gz QJMGZYVDHPKDAM-LBPRGKRZSA-N 2 0 238.375 1.677 20 0 BDADRP CC1(C)[C@@H](NC[C@@H]2CCC[NH2+]2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925689485 646415985 /nfs/dbraw/zinc/41/59/85/646415985.db2.gz AMWHSKUYRQZVTO-RNJOBUHISA-N 2 0 237.391 1.105 20 0 BDADRP C[C@H]([NH3+])[C@@H](N[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000925691910 646417570 /nfs/dbraw/zinc/41/75/70/646417570.db2.gz NJUMBLDPBFECGZ-IACUBPJLSA-N 2 0 233.359 1.417 20 0 BDADRP CC1(C)C[C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)C[C@@H]([NH3+])C1 ZINC000925694159 646419778 /nfs/dbraw/zinc/41/97/78/646419778.db2.gz QYVXLPNCPMGFBR-UPJWGTAASA-N 3 0 239.407 1.482 20 0 BDADRP CC(C)C[C@H](C[NH3+])N[C@H]1CC[NH2+]C12CCC2 ZINC000925696254 646421799 /nfs/dbraw/zinc/42/17/99/646421799.db2.gz YNQKPVZAVDCXRL-NEPJUHHUSA-N 2 0 225.380 1.234 20 0 BDADRP CC1(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CC[NH2+]CC1 ZINC000925697404 646421836 /nfs/dbraw/zinc/42/18/36/646421836.db2.gz FTJCDVVXMSZQKB-VXGBXAGGSA-N 3 0 237.391 1.236 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925699222 646422980 /nfs/dbraw/zinc/42/29/80/646422980.db2.gz JEFKOGNQIYWSGD-RNJOBUHISA-N 2 0 239.407 1.623 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1CCC[C@@H]([NH3+])C1)[NH2+]2 ZINC000925699935 646423230 /nfs/dbraw/zinc/42/32/30/646423230.db2.gz MFYJUDCLQNKWHL-WCQYUDONSA-N 2 0 237.391 1.375 20 0 BDADRP C[NH2+][C@H](C)CN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925697828 646423476 /nfs/dbraw/zinc/42/34/76/646423476.db2.gz AWLQNVJRLMNGOL-BNOWGMLFSA-N 2 0 239.407 1.352 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925699220 646423823 /nfs/dbraw/zinc/42/38/23/646423823.db2.gz JEFKOGNQIYWSGD-CYDGBPFRSA-N 2 0 239.407 1.623 20 0 BDADRP CC[NH2+][C@H](C)CN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925701429 646425064 /nfs/dbraw/zinc/42/50/64/646425064.db2.gz ZIKUQSNRHFTSID-GRYCIOLGSA-N 2 0 227.396 1.480 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@H](N[C@H]2CCC[NH2+]C2)C1 ZINC000925700424 646425192 /nfs/dbraw/zinc/42/51/92/646425192.db2.gz TXYFULPJSWCELC-SRVKXCTJSA-N 2 0 225.380 1.234 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000925702220 646427370 /nfs/dbraw/zinc/42/73/70/646427370.db2.gz AYDCIXFSBDCGJM-IJLUTSLNSA-N 2 0 223.364 1.131 20 0 BDADRP C[NH2+]Cc1ccccc1CN[C@H]1CCC[NH2+][C@H]1C ZINC000925703271 646427453 /nfs/dbraw/zinc/42/74/53/646427453.db2.gz SMUXZUTUGLKZDQ-WFASDCNBSA-N 2 0 247.386 1.636 20 0 BDADRP C[C@H]1NCCC[C@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000925703961 646429087 /nfs/dbraw/zinc/42/90/87/646429087.db2.gz FOANOWYRGDELJM-DGCLKSJQSA-N 3 0 223.364 1.026 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC1=CC[NH2+]CC1 ZINC000925708533 646432299 /nfs/dbraw/zinc/43/22/99/646432299.db2.gz RHKFWJRVNFNRSC-DGKWVBSXSA-N 3 0 249.402 1.402 20 0 BDADRP CCC[N@@H+]1CC[C@@H](N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000925708343 646432800 /nfs/dbraw/zinc/43/28/00/646432800.db2.gz SJJITEYDXLQMAY-OLZOCXBDSA-N 2 0 237.391 1.345 20 0 BDADRP C[C@H]([NH3+])[C@H](C)N[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925707553 646433277 /nfs/dbraw/zinc/43/32/77/646433277.db2.gz LEUYJSNFGSQHTN-CDGCEXEKSA-N 2 0 239.407 1.480 20 0 BDADRP CC1(C)C[C@@H](NCC2([NH3+])CCCC2)C[C@@H]([NH3+])C1 ZINC000925713926 646438597 /nfs/dbraw/zinc/43/85/97/646438597.db2.gz YQSJHXPLJDBINH-NEPJUHHUSA-N 2 0 239.407 1.754 20 0 BDADRP C[NH2+]C[C@H](C)N[C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925715208 646440968 /nfs/dbraw/zinc/44/09/68/646440968.db2.gz ASLIRJVIUFCAIH-GMXVVIOVSA-N 2 0 221.348 1.272 20 0 BDADRP C[NH2+]C[C@@H](C)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000925716195 646441076 /nfs/dbraw/zinc/44/10/76/646441076.db2.gz LSJOCIWSVLWGBP-OCCSQVGLSA-N 2 0 235.375 1.664 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2ccc[nH]c2=O)C1 ZINC000925720682 646446548 /nfs/dbraw/zinc/44/65/48/646446548.db2.gz ZTIBVDRGPXSFDA-VXGBXAGGSA-N 2 0 249.358 1.783 20 0 BDADRP C1CC2(C1)[NH2+]CC[C@H]2N[C@H]1CC[NH2+]C12CCCC2 ZINC000925722934 646448557 /nfs/dbraw/zinc/44/85/57/646448557.db2.gz LTOGEHQMWSYLDW-QWHCGFSZSA-N 2 0 249.402 1.535 20 0 BDADRP C1CC2(C1)[NH2+]CC[C@@H]2N[C@@H]1CC[NH2+]C12CCCC2 ZINC000925722933 646448712 /nfs/dbraw/zinc/44/87/12/646448712.db2.gz LTOGEHQMWSYLDW-OLZOCXBDSA-N 2 0 249.402 1.535 20 0 BDADRP CC(C)(F)C[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2 ZINC000925724782 646450781 /nfs/dbraw/zinc/45/07/81/646450781.db2.gz MVDGECOHTKBRIF-DTIDVZRVSA-N 2 0 230.327 1.076 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCc1ccns1 ZINC000925730746 646453318 /nfs/dbraw/zinc/45/33/18/646453318.db2.gz IHDFRYFICFIQIB-IUCAKERBSA-N 2 0 213.350 1.401 20 0 BDADRP CC1(C)C[C@@H]([NH2+]C[C@H]2C[C@H](O)C2)C[C@@H]([NH3+])C1 ZINC000925730138 646454622 /nfs/dbraw/zinc/45/46/22/646454622.db2.gz NQSPMOWKJHMOLR-WISYIIOYSA-N 2 0 226.364 1.253 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCc1ccns1 ZINC000925733460 646456909 /nfs/dbraw/zinc/45/69/09/646456909.db2.gz VCKYXDDLFDMLQX-RYUDHWBXSA-N 2 0 239.388 1.935 20 0 BDADRP CCn1cc([C@H](C)[NH2+]CCC(C)(C)[NH3+])cn1 ZINC000925740992 646462883 /nfs/dbraw/zinc/46/28/83/646462883.db2.gz LSNXEFLBEJQAAJ-JTQLQIEISA-N 2 0 224.352 1.681 20 0 BDADRP CCC1([NH3+])CCN([C@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925758229 646467129 /nfs/dbraw/zinc/46/71/29/646467129.db2.gz AVDZUVQGSLOPKH-NEPJUHHUSA-N 2 0 237.391 1.460 20 0 BDADRP Nc1cc[nH+]c(CN[C@H]2CC[NH2+]C23CCC3)c1 ZINC000925765499 646467207 /nfs/dbraw/zinc/46/72/07/646467207.db2.gz CKSMUGQIEVNXHP-LBPRGKRZSA-N 2 0 232.331 1.038 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H](NCc2cc(N)cc[nH+]2)C1 ZINC000925768096 646468636 /nfs/dbraw/zinc/46/86/36/646468636.db2.gz SKFHIQPGRJKLOY-VXGBXAGGSA-N 2 0 248.374 1.659 20 0 BDADRP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000925778099 646475081 /nfs/dbraw/zinc/47/50/81/646475081.db2.gz CKMRYIYRQRYFFS-UMVBOHGHSA-N 2 0 247.386 1.990 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C1CCC(C)(O)CC1 ZINC000925781783 646477358 /nfs/dbraw/zinc/47/73/58/646477358.db2.gz YOIBGTWIDXIACE-JYBOHDQNSA-N 2 0 214.353 1.395 20 0 BDADRP CC[C@H](NC[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000925786041 646480803 /nfs/dbraw/zinc/48/08/03/646480803.db2.gz NIRXGBOLJDZSDF-RFGFWPKPSA-N 2 0 239.407 1.352 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCC[C@H]1CCF ZINC000925785256 646480887 /nfs/dbraw/zinc/48/08/87/646480887.db2.gz MIEYUBUNUDERMA-MROQNXINSA-N 2 0 228.355 1.960 20 0 BDADRP Cc1cncc([C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000925785539 646480911 /nfs/dbraw/zinc/48/09/11/646480911.db2.gz NZOJCSGVTPNIQI-DYEKYZERSA-N 2 0 233.359 1.896 20 0 BDADRP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccoc1 ZINC000925812645 646491106 /nfs/dbraw/zinc/49/11/06/646491106.db2.gz XRZBVTIEPDZEHO-LLVKDONJSA-N 2 0 237.347 1.353 20 0 BDADRP [NH3+]C1CCN(CC[NH2+][C@@H]2CC[C@H]2C2CC2)CC1 ZINC000925817603 646493493 /nfs/dbraw/zinc/49/34/93/646493493.db2.gz STXCXZPSDBBFNS-UONOGXRCSA-N 2 0 237.391 1.188 20 0 BDADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1COC[C@@H]1C ZINC000925826283 646498303 /nfs/dbraw/zinc/49/83/03/646498303.db2.gz GTXMBKQEKMAWJK-NURSFMCSSA-N 2 0 249.358 1.534 20 0 BDADRP Cc1cc(CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)nn1C ZINC000925831208 646501726 /nfs/dbraw/zinc/50/17/26/646501726.db2.gz CZXWXCUCDWRJTO-NEPJUHHUSA-N 2 0 236.363 1.131 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000925834160 646503014 /nfs/dbraw/zinc/50/30/14/646503014.db2.gz WRJIPMYASIDAIT-YIZRAAEISA-N 2 0 236.281 1.915 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925839679 646506223 /nfs/dbraw/zinc/50/62/23/646506223.db2.gz JAJIWZLSKBEOMF-IGQOVBAYSA-N 2 0 237.391 1.236 20 0 BDADRP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925842302 646508396 /nfs/dbraw/zinc/50/83/96/646508396.db2.gz IVQBWCDYAWXZDQ-ZLKJLUDKSA-N 2 0 248.374 1.901 20 0 BDADRP CCC[C@@H](O)CC[NH2+]C1CCC([NH3+])CC1 ZINC000925854639 646510880 /nfs/dbraw/zinc/51/08/80/646510880.db2.gz FINPRSMAWMIXMK-HTAVTVPLSA-N 2 0 214.353 1.397 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000925860412 646512554 /nfs/dbraw/zinc/51/25/54/646512554.db2.gz YEZJEQXCEJMKJN-XQQFMLRXSA-N 2 0 228.380 1.515 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)CN1C1CC1 ZINC000925874969 646526364 /nfs/dbraw/zinc/52/63/64/646526364.db2.gz ANQJHXAGUFPOFF-FVCCEPFGSA-N 2 0 237.391 1.329 20 0 BDADRP CC1(C)[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)[C@H]2CCO[C@H]21 ZINC000925876456 646527094 /nfs/dbraw/zinc/52/70/94/646527094.db2.gz YMICIVKYWWBVEJ-NZEXEKPDSA-N 2 0 238.375 1.517 20 0 BDADRP Cc1ccc(NCC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)nc1 ZINC000925877880 646527635 /nfs/dbraw/zinc/52/76/35/646527635.db2.gz NNMHKGPDOHVEHI-CHWSQXEVSA-N 2 0 248.374 1.661 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cncs1 ZINC000925876433 646527807 /nfs/dbraw/zinc/52/78/07/646527807.db2.gz XVEOMBITQWEFCJ-AEJSXWLSSA-N 2 0 225.361 1.921 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925880144 646529454 /nfs/dbraw/zinc/52/94/54/646529454.db2.gz OPJPVPMQXCLKCS-UTUOFQBUSA-N 3 0 213.369 1.221 20 0 BDADRP C[C@@H]([NH2+]CC1CCC=CCC1)C1C[NH2+]C1 ZINC000925882102 646531656 /nfs/dbraw/zinc/53/16/56/646531656.db2.gz WRGKNBQPBNDOAP-LLVKDONJSA-N 2 0 208.349 1.930 20 0 BDADRP C[C@H]([NH2+]C1([C@H]2CCCCO2)CC1)[C@H]1CC[NH2+]C1 ZINC000925893202 646535632 /nfs/dbraw/zinc/53/56/32/646535632.db2.gz MZABUVHNUMVDDI-RWMBFGLXSA-N 2 0 238.375 1.676 20 0 BDADRP C[C@H](CC[NH2+][C@@H]1COC[C@H]1C)[NH+]1CCCCC1 ZINC000926144411 646584065 /nfs/dbraw/zinc/58/40/65/646584065.db2.gz PKVIZROKYBZABT-MGPQQGTHSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]1COC[C@H]1[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000926169474 646586877 /nfs/dbraw/zinc/58/68/77/646586877.db2.gz FMGSGNZWHCCWOD-QWHCGFSZSA-N 2 0 240.391 1.733 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC1CC(O)C1 ZINC000926289535 646613370 /nfs/dbraw/zinc/61/33/70/646613370.db2.gz WPDXECDHYPHADP-HPCMXSDISA-N 2 0 238.375 1.077 20 0 BDADRP CC(C)CC[NH+]1CCC([NH2+]CCCCO)CC1 ZINC000926305999 646614828 /nfs/dbraw/zinc/61/48/28/646614828.db2.gz WNRCRUOKBRQMBX-UHFFFAOYSA-N 2 0 242.407 1.859 20 0 BDADRP C[C@@H]1[C@@H]([NH2+][C@H]2CCc3nc[nH]c3C2)CO[C@H]1C ZINC000926451123 646641665 /nfs/dbraw/zinc/64/16/65/646641665.db2.gz WLFDJICKHGLBMK-YVNDNENWSA-N 2 0 235.331 1.280 20 0 BDADRP C[C@@H]1C[C@H](C)CC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000723782531 711537217 /nfs/dbraw/zinc/53/72/17/711537217.db2.gz LVFSUFSTJFENHK-UPJWGTAASA-N 2 0 210.365 1.964 20 0 BDADRP CC[C@H]([NH2+]CCC[NH+](C)C)[C@H]1CCCOC1 ZINC000723974358 711549967 /nfs/dbraw/zinc/54/99/67/711549967.db2.gz KQEGTPLVMBAVNY-STQMWFEESA-N 2 0 228.380 1.733 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@H](CC[NH3+])C2)C1 ZINC000721926795 711694644 /nfs/dbraw/zinc/69/46/44/711694644.db2.gz INUOLFHLWQDZTH-UPJWGTAASA-N 2 0 226.364 1.472 20 0 BDADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925635738 711706683 /nfs/dbraw/zinc/70/66/83/711706683.db2.gz OQWPNNVTIZMXLH-NDBYEHHHSA-N 2 0 238.375 1.661 20 0 BDADRP COC[C@H](C[N@@H+]1CC[C@@](C)(C[NH3+])C1)C(C)C ZINC000721912312 711917313 /nfs/dbraw/zinc/91/73/13/711917313.db2.gz LZDLMVPUNDTLHZ-STQMWFEESA-N 2 0 228.380 1.576 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)C1 ZINC000721918288 711919655 /nfs/dbraw/zinc/91/96/55/711919655.db2.gz DCRXZPULRQKHLJ-FIQHERPVSA-N 2 0 212.337 1.081 20 0 BDADRP C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000701019086 712012167 /nfs/dbraw/zinc/01/21/67/712012167.db2.gz LIFJUDNSRUJQMB-FMSGJZPZSA-N 2 0 240.391 1.730 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@]1(C)CC1(C)C ZINC000701988602 712035206 /nfs/dbraw/zinc/03/52/06/712035206.db2.gz UTXFEZRVFORSEF-YPMHNXCESA-N 2 0 228.380 1.766 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CC[C@H]2CCSC2)C12CCC2 ZINC000704891579 712120916 /nfs/dbraw/zinc/12/09/16/712120916.db2.gz RLGWPPCEZCZREB-TUAOUCFPSA-N 2 0 240.416 1.989 20 0 BDADRP CC1(C)CO[C@@H](C[N@@H+]2CC[C@@](C)(C[NH3+])C2)C1 ZINC000708323452 712187267 /nfs/dbraw/zinc/18/72/67/712187267.db2.gz NBRMOURLRDHOKP-YPMHNXCESA-N 2 0 226.364 1.472 20 0 BDADRP C[C@H](C[NH+]1CCC(O)(C[NH3+])CC1)CC(C)(C)C ZINC000709179020 712203381 /nfs/dbraw/zinc/20/33/81/712203381.db2.gz SKHFDUUVRIPIIF-LBPRGKRZSA-N 2 0 242.407 1.844 20 0 BDADRP C(C[N@@H+]1C[C@@H]2CSC[C@@H]2C1)[C@H]1CCC[NH2+]C1 ZINC000711534873 712309924 /nfs/dbraw/zinc/30/99/24/712309924.db2.gz NMLSMIWYXFHNTF-UPJWGTAASA-N 2 0 240.416 1.671 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000712641597 712439070 /nfs/dbraw/zinc/43/90/70/712439070.db2.gz LXMJQKGMFVBYSE-RDBSUJKOSA-N 2 0 240.391 1.766 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCN1C)C1CC[NH+](C)CC1 ZINC000712559385 712445546 /nfs/dbraw/zinc/44/55/46/712445546.db2.gz TUEVKASNICVZJO-DGCLKSJQSA-N 2 0 225.380 1.010 20 0 BDADRP C[N@H+](CCCOC(F)(F)F)C1CC[NH2+]CC1 ZINC000713398364 712459217 /nfs/dbraw/zinc/45/92/17/712459217.db2.gz JCMYBVMQRGSMTR-UHFFFAOYSA-N 2 0 240.269 1.597 20 0 BDADRP C[C@@H]1OC[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)[C@@H]1C ZINC000715558568 712528167 /nfs/dbraw/zinc/52/81/67/712528167.db2.gz PPPCNNJLRWQTTJ-XPXVYLNCSA-N 2 0 240.391 1.872 20 0 BDADRP C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2)C1C[NH2+]C1 ZINC000716020864 712546961 /nfs/dbraw/zinc/54/69/61/712546961.db2.gz FTLWKBGOGVXESL-KVAMGIGCSA-N 2 0 240.416 1.858 20 0 BDADRP CC[C@H](C[C@@H](C)O)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000716848517 712578316 /nfs/dbraw/zinc/57/83/16/712578316.db2.gz DHCLCRJTGUSHJF-MBNYWOFBSA-N 2 0 242.407 1.856 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC000717283712 712644599 /nfs/dbraw/zinc/64/45/99/712644599.db2.gz FGRLXKCXPAIDBZ-NEPJUHHUSA-N 2 0 228.380 1.909 20 0 BDADRP COc1cccc(C[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000038077989 712805557 /nfs/dbraw/zinc/80/55/57/712805557.db2.gz LWVMXLSHFZGOLM-GFCCVEGCSA-N 2 0 220.316 1.476 20 0 BDADRP Cc1cc(N[C@H]2CC[N@H+](C)[C@@H]2C)cc[nH+]1 ZINC000719571304 712810919 /nfs/dbraw/zinc/81/09/19/712810919.db2.gz SBVQACKUBZBOGD-PWSUYJOCSA-N 2 0 205.305 1.316 20 0 BDADRP OC[C@H]([NH2+]CCC[NH+]1CCCCC1)C1CC1 ZINC000381484543 710643502 /nfs/dbraw/zinc/64/35/02/710643502.db2.gz HHUQAICIIRETSO-ZDUSSCGKSA-N 2 0 226.364 1.223 20 0 BDADRP C[C@@H]1CC[C@@H]1[NH2+]CCCC[NH+]1CCOCC1 ZINC000381524190 710649777 /nfs/dbraw/zinc/64/97/77/710649777.db2.gz VXDSOXFMIWLRAQ-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP COC[C@@H](C[NH2+]C(C)(C)CN(C)C)C(C)C ZINC000721765666 710685945 /nfs/dbraw/zinc/68/59/45/710685945.db2.gz ARBRXEOWPBVKGP-GFCCVEGCSA-N 2 0 230.396 1.835 20 0 BDADRP CC1(C)[C@@H]2C[N@@H+](C[C@H](O)C[NH+]3CCCC3)C[C@@H]21 ZINC000380392062 712900492 /nfs/dbraw/zinc/90/04/92/712900492.db2.gz CQCJBQUORRXEPJ-UPJWGTAASA-N 2 0 238.375 1.031 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1N[C@@H](CO)Cc1ccccc1 ZINC000396715163 710907633 /nfs/dbraw/zinc/90/76/33/710907633.db2.gz SQJYIWCODCKEKO-NWANDNLSSA-N 2 0 248.370 1.320 20 0 BDADRP C[C@H]1[NH2+]CCC[C@H]1N[C@H](CO)Cc1ccccc1 ZINC000396715168 710907828 /nfs/dbraw/zinc/90/78/28/710907828.db2.gz SQJYIWCODCKEKO-VHDGCEQUSA-N 2 0 248.370 1.320 20 0 BDADRP COCc1ccc(C[NH2+]C2CCC([NH3+])CC2)o1 ZINC000382525428 710946113 /nfs/dbraw/zinc/94/61/13/710946113.db2.gz RNONBDYBIYREGO-UHFFFAOYSA-N 2 0 238.331 1.786 20 0 BDADRP CC[C@@H]1[C@H](C)CC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000384075602 710988929 /nfs/dbraw/zinc/98/89/29/710988929.db2.gz RBZOEXFVHLZMBI-FVCCEPFGSA-N 2 0 210.365 1.962 20 0 BDADRP CC[C@H]1[C@H](C)CC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000384165377 710990750 /nfs/dbraw/zinc/99/07/50/710990750.db2.gz RBZOEXFVHLZMBI-NDBYEHHHSA-N 2 0 210.365 1.962 20 0 BDADRP FC1(F)CC[C@@H](CN2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000385243725 711008685 /nfs/dbraw/zinc/00/86/85/711008685.db2.gz QLXSBTRVWSSVBR-MXWKQRLJSA-N 2 0 230.302 1.716 20 0 BDADRP C[NH+](C)C1(CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CCC1 ZINC000385510095 711014375 /nfs/dbraw/zinc/01/43/75/711014375.db2.gz ASORLOWTOABCRY-MEBFFEOJSA-N 2 0 249.402 1.057 20 0 BDADRP CC[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@H](C)O ZINC000386729012 711035780 /nfs/dbraw/zinc/03/57/80/711035780.db2.gz UVILWPYLVFEAJE-CMPLNLGQSA-N 2 0 214.353 1.077 20 0 BDADRP C[C@H]([NH2+]CCC(C)(C)[NH3+])[C@H]1CCCO1 ZINC000389254833 711073977 /nfs/dbraw/zinc/07/39/77/711073977.db2.gz DNUDUEVUHQPPDX-VHSXEESVSA-N 2 0 200.326 1.271 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](CCCCCCO)C1 ZINC000389611022 711082763 /nfs/dbraw/zinc/08/27/63/711082763.db2.gz DKRWOJPAWDXNLS-GFCCVEGCSA-N 2 0 214.353 1.210 20 0 BDADRP CO[C@H]1CCC[C@@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000392948814 711155415 /nfs/dbraw/zinc/15/54/15/711155415.db2.gz VHZKVGDBFIWYMG-STQMWFEESA-N 2 0 224.348 1.405 20 0 BDADRP C[C@@H](O)CC(C)(C)C[NH2+]CC1CC[NH+](C)CC1 ZINC000393642888 711168402 /nfs/dbraw/zinc/16/84/02/711168402.db2.gz ZKCSPHXISITMCB-GFCCVEGCSA-N 2 0 242.407 1.715 20 0 BDADRP [NH3+][C@H](CC(F)F)CN1CC[NH+](C2CCC2)CC1 ZINC000393969820 711180561 /nfs/dbraw/zinc/18/05/61/711180561.db2.gz LAFXZDCCVLCWFB-SNVBAGLBSA-N 2 0 247.333 1.139 20 0 BDADRP Cn1ncc(Cl)c1C[NH2+]C1CCC([NH3+])CC1 ZINC000394595421 711195748 /nfs/dbraw/zinc/19/57/48/711195748.db2.gz HCEFDIRDNJJEGE-UHFFFAOYSA-N 2 0 242.754 1.433 20 0 BDADRP Cc1cc(C)n(CC[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)n1 ZINC000395418637 711209838 /nfs/dbraw/zinc/20/98/38/711209838.db2.gz KZQRBLSACVFVHE-UONOGXRCSA-N 2 0 248.374 1.041 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000396592733 711354586 /nfs/dbraw/zinc/35/45/86/711354586.db2.gz UNNCKVRBVNQBID-OBJOEFQTSA-N 2 0 237.391 1.201 20 0 BDADRP C[C@@H]1NCCC[C@@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000396594319 711358843 /nfs/dbraw/zinc/35/88/43/711358843.db2.gz KWJYMUBNVVLUMH-STQMWFEESA-N 2 0 239.407 1.448 20 0 BDADRP C[N@H+](CCC[NH3+])CC[C@@H]1CC1(Cl)Cl ZINC000399270090 711426359 /nfs/dbraw/zinc/42/63/59/711426359.db2.gz UAKHGSWWWCBSJJ-MRVPVSSYSA-N 2 0 225.163 1.851 20 0 BDADRP CC[C@H](C)[N@H+](CC)C[C@@H](O)CN1CCCC1 ZINC000381270083 710614348 /nfs/dbraw/zinc/61/43/48/710614348.db2.gz VGTHEOFTZROOPF-STQMWFEESA-N 2 0 228.380 1.564 20 0 BDADRP COC[C@@H](C[N@H+](C)CCC[NH3+])C(C)C ZINC000721965364 710695509 /nfs/dbraw/zinc/69/55/09/710695509.db2.gz QFIBQAWPKUYCBT-LLVKDONJSA-N 2 0 202.342 1.186 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CC23CC(O)C3)CC1 ZINC000724991147 710752530 /nfs/dbraw/zinc/75/25/30/710752530.db2.gz AZJHVPZGFVRDRD-ROKHWSDSSA-N 2 0 238.375 1.362 20 0 BDADRP CCC[N@@H+]1CC[C@@H](NC(=O)CCCCC[NH3+])C1 ZINC000389821895 711091291 /nfs/dbraw/zinc/09/12/91/711091291.db2.gz UDBQRIUGHASGAT-GFCCVEGCSA-N 2 0 241.379 1.106 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1NCc1ccc2c(c1)OCO2 ZINC000396631163 711361942 /nfs/dbraw/zinc/36/19/42/711361942.db2.gz JGCDFHVDQXSRKQ-CMPLNLGQSA-N 2 0 248.326 1.645 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](CCC3(O)CCC3)C[C@@H]2C1 ZINC000396797377 711370696 /nfs/dbraw/zinc/37/06/96/711370696.db2.gz SUISLBREMTZBOJ-OLZOCXBDSA-N 2 0 238.375 1.175 20 0 BDADRP C[C@@H](O)CC[N@H+](C)CCCCCC[NH3+] ZINC000385832736 711455730 /nfs/dbraw/zinc/45/57/30/711455730.db2.gz LYDQVZSYUMXFNX-LLVKDONJSA-N 2 0 202.342 1.208 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C2CSC2)C1 ZINC000307428578 711480095 /nfs/dbraw/zinc/48/00/95/711480095.db2.gz UEIPVOVGYVZGAT-GXSJLCMTSA-N 2 0 214.378 1.564 20 0 BDADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000723627482 711527563 /nfs/dbraw/zinc/52/75/63/711527563.db2.gz DHUJGRSSICSTKM-JZRPKSSGSA-N 2 0 226.364 1.517 20 0 BDADRP Cn1ncc(Cl)c1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723679430 711533956 /nfs/dbraw/zinc/53/39/56/711533956.db2.gz DIZAJIGYJGGTFP-VIFPVBQESA-N 2 0 242.754 1.244 20 0 BDADRP C[C@@H](c1cnccn1)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723713681 711535318 /nfs/dbraw/zinc/53/53/18/711535318.db2.gz XITKVNZDOJCZLD-WDEREUQCSA-N 2 0 220.320 1.208 20 0 BDADRP CCCCOC(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723893927 711543776 /nfs/dbraw/zinc/54/37/76/711543776.db2.gz GJHWGVCIFFANJR-VXGBXAGGSA-N 2 0 242.363 1.246 20 0 BDADRP Cc1ccncc1C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723892690 711544447 /nfs/dbraw/zinc/54/44/47/711544447.db2.gz UVIJAVSPYKVOAW-CHWSQXEVSA-N 2 0 233.359 1.807 20 0 BDADRP C[NH+](C)C1(CNc2cc[nH+]cc2CO)CCCC1 ZINC000891775012 711545469 /nfs/dbraw/zinc/54/54/69/711545469.db2.gz ILPUTZHQCVXHRL-UHFFFAOYSA-N 2 0 249.358 1.282 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ncc[nH]1 ZINC000724088426 711560143 /nfs/dbraw/zinc/56/01/43/711560143.db2.gz MXSXGOBWNURDTD-AEJSXWLSSA-N 2 0 208.309 1.188 20 0 BDADRP CO[C@H]1CC[C@@H]1[N@H+](C)CCCC1CC[NH2+]CC1 ZINC000724155357 711565542 /nfs/dbraw/zinc/56/55/42/711565542.db2.gz LRQUREOSVXRWOZ-KBPBESRZSA-N 2 0 240.391 1.875 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCC[C@H]1O ZINC000926548629 711636315 /nfs/dbraw/zinc/63/63/15/711636315.db2.gz AVRLBJWZIAWGJH-UKIXVXPJSA-N 2 0 238.375 1.077 20 0 BDADRP CS[C@@H](C)C[NH2+]CC1CC[NH+](C)CC1 ZINC000169099071 711644836 /nfs/dbraw/zinc/64/48/36/711644836.db2.gz ZTLATBZRGXLULU-JTQLQIEISA-N 2 0 216.394 1.669 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[NH2+]C12CCCC2 ZINC000925718008 711713388 /nfs/dbraw/zinc/71/33/88/711713388.db2.gz FMHRBZSNMBFFEE-XQQFMLRXSA-N 2 0 237.391 1.391 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[C@@H](C2CC2)O1 ZINC000722315771 711734629 /nfs/dbraw/zinc/73/46/29/711734629.db2.gz IEXDYXKIZHFOET-CRWXNKLISA-N 2 0 238.375 1.661 20 0 BDADRP CCN1CCC[C@H]([NH2+][C@H](C)CCCC[NH3+])C1=O ZINC000722339687 711740803 /nfs/dbraw/zinc/74/08/03/711740803.db2.gz AABHAOJJRPKDJU-NEPJUHHUSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CC2(CCC2)CO1)[C@H]1CC[NH2+]C1 ZINC000925773975 711745748 /nfs/dbraw/zinc/74/57/48/711745748.db2.gz QTNSXAAHGNNPDG-RWMBFGLXSA-N 2 0 238.375 1.533 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CCCC12CCOCC2 ZINC000925787596 711751210 /nfs/dbraw/zinc/75/12/10/711751210.db2.gz YINVSHOXYYRVAD-JHJVBQTASA-N 2 0 238.375 1.533 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cscn1 ZINC000722521086 711761239 /nfs/dbraw/zinc/76/12/39/711761239.db2.gz OAWHIJXCBAHCIA-NXEZZACHSA-N 2 0 225.361 1.478 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H](O)C(C)(C)C)CC[C@H]21 ZINC000879580833 711770513 /nfs/dbraw/zinc/77/05/13/711770513.db2.gz UZKDDXJPSOZTAR-JHJVBQTASA-N 2 0 240.391 1.419 20 0 BDADRP COC[C@@H](C[N@H+](C)C[C@@H](C)[NH3+])C(C)C ZINC000721962568 711843019 /nfs/dbraw/zinc/84/30/19/711843019.db2.gz HKAUGKIRSKGWAQ-GHMZBOCLSA-N 2 0 202.342 1.184 20 0 BDADRP COC[C@H](C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1)C(C)C ZINC000721913913 711918446 /nfs/dbraw/zinc/91/84/46/711918446.db2.gz QQKQFULMHPWAHT-MJBXVCDLSA-N 2 0 242.407 1.964 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](C[C@H](COC)C(C)C)C1 ZINC000721914737 711918463 /nfs/dbraw/zinc/91/84/63/711918463.db2.gz SJVJJXTZBNYODV-CHWSQXEVSA-N 2 0 228.380 1.446 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1 ZINC000721927934 711937886 /nfs/dbraw/zinc/93/78/86/711937886.db2.gz NRPWLRHAHWDUOA-FQUUOJAGSA-N 2 0 238.375 1.472 20 0 BDADRP C[C@H]1CCCC[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000721937302 711941170 /nfs/dbraw/zinc/94/11/70/711941170.db2.gz DWWAMVXXGXSMSA-JSGCOSHPSA-N 2 0 239.407 1.578 20 0 BDADRP FC1(F)CC(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000383006259 711945134 /nfs/dbraw/zinc/94/51/34/711945134.db2.gz AWHGDUHKLWDITE-NXEZZACHSA-N 2 0 216.275 1.183 20 0 BDADRP C[C@H]1C[N@H+](C[C@@H]2CCCC[NH2+]C2)CCCO1 ZINC000700405965 711991984 /nfs/dbraw/zinc/99/19/84/711991984.db2.gz UOCVIOKPQWZAEK-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP COC1CCC([NH2+]CC[C@H](C)[NH+](C)C)CC1 ZINC000700542895 711996716 /nfs/dbraw/zinc/99/67/16/711996716.db2.gz XECFZTQBTWDHJI-HIFPTAJRSA-N 2 0 228.380 1.874 20 0 BDADRP C[C@@H]1[C@@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)CO[C@H]1C ZINC000700791415 712005302 /nfs/dbraw/zinc/00/53/02/712005302.db2.gz KDHXTAOFFCFRCM-FQUUOJAGSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@@H]1OC[C@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)[C@@H]1C ZINC000700791419 712005426 /nfs/dbraw/zinc/00/54/26/712005426.db2.gz KDHXTAOFFCFRCM-RFGFWPKPSA-N 2 0 240.391 1.731 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CO[C@@H](C3CC3)C2)C12CCC2 ZINC000700990861 712011219 /nfs/dbraw/zinc/01/12/19/712011219.db2.gz ISHZLJFCNCFJGX-LOWDOPEQSA-N 2 0 236.359 1.413 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2ccoc2)C12CCC2 ZINC000703076140 712066387 /nfs/dbraw/zinc/06/63/87/712066387.db2.gz REDDUTYDVUBZMG-RYUDHWBXSA-N 2 0 220.316 1.682 20 0 BDADRP C[C@H]1C[C@@H](C[N@H+](C)CCCF)CC[NH2+]1 ZINC000703161287 712067310 /nfs/dbraw/zinc/06/73/10/712067310.db2.gz AJTFIUYKWMEGCW-QWRGUYRKSA-N 2 0 202.317 1.666 20 0 BDADRP COC1CC(C[N@H+](C)CC[C@H]([NH3+])C(C)C)C1 ZINC000703390575 712075524 /nfs/dbraw/zinc/07/55/24/712075524.db2.gz QCRJBFAYCGKKMU-BPCQOVAHSA-N 2 0 228.380 1.717 20 0 BDADRP Cc1cc(N2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc[nH+]1 ZINC000703539128 712078061 /nfs/dbraw/zinc/07/80/61/712078061.db2.gz XBENVQHQGHBXRR-WCQYABFASA-N 2 0 217.316 1.436 20 0 BDADRP CC1(O)CCC([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000703599567 712080447 /nfs/dbraw/zinc/08/04/47/712080447.db2.gz AANYMYMAPLFNCN-QCXCNERSSA-N 2 0 226.364 1.540 20 0 BDADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](CC1CC=CC1)C2 ZINC000703595221 712080643 /nfs/dbraw/zinc/08/06/43/712080643.db2.gz JEQSAMHRRKMMHY-QWHCGFSZSA-N 2 0 206.333 1.494 20 0 BDADRP CC1(O)CCC([NH2+][C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000703602933 712081752 /nfs/dbraw/zinc/08/17/52/712081752.db2.gz MSSUJIPRKNXHKK-QCXCNERSSA-N 2 0 226.364 1.397 20 0 BDADRP COC1CC(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000703851320 712090505 /nfs/dbraw/zinc/09/05/05/712090505.db2.gz NYWDMLKDWBVMFV-TXTTUAKNSA-N 2 0 224.348 1.081 20 0 BDADRP CN(C[C@H]1CCC[N@H+](C)C1)c1cc[nH+]cc1CO ZINC000705128921 712122468 /nfs/dbraw/zinc/12/24/68/712122468.db2.gz OSLVTZBSVMLHPT-LBPRGKRZSA-N 2 0 249.358 1.352 20 0 BDADRP CN(C[C@H]([NH3+])CC(F)F)C[C@H]1CCC[N@H+](C)C1 ZINC000705138801 712123119 /nfs/dbraw/zinc/12/31/19/712123119.db2.gz RQCGTQLMUAVMTH-WDEREUQCSA-N 2 0 249.349 1.243 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)C[C@H]1C[NH3+] ZINC000708080685 712180832 /nfs/dbraw/zinc/18/08/32/712180832.db2.gz BINNJIXDTLLJEG-XHJNMGKDSA-N 2 0 238.375 1.471 20 0 BDADRP CCOC[C@@H]1CC[N@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000708285128 712185666 /nfs/dbraw/zinc/18/56/66/712185666.db2.gz DZCZMTXJUXQPFY-ZIAGYGMSSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@@H]1CC(C)(C)CO1 ZINC000708337504 712189483 /nfs/dbraw/zinc/18/94/83/712189483.db2.gz NMBQETBYSUJPRI-WOPDTQHZSA-N 2 0 226.364 1.613 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000708678835 712196501 /nfs/dbraw/zinc/19/65/01/712196501.db2.gz CCAYYUCLEXBHLB-KXNHARMFSA-N 2 0 224.348 1.271 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)C1 ZINC000709034116 712205853 /nfs/dbraw/zinc/20/58/53/712205853.db2.gz JLYQLRHLENLJKP-WISYIIOYSA-N 2 0 212.337 1.081 20 0 BDADRP Cc1nc(CN2CC[C@H]([NH+](C)C)[C@@H]2C)[nH]c1C ZINC000709065266 712206838 /nfs/dbraw/zinc/20/68/38/712206838.db2.gz NVAZZCIZLSOPHA-RYUDHWBXSA-N 2 0 236.363 1.551 20 0 BDADRP CC(C)C[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709407927 712221476 /nfs/dbraw/zinc/22/14/76/712221476.db2.gz QXFMHNQLTSOQNE-HNGCFSAESA-N 2 0 226.364 1.266 20 0 BDADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC[C@H]1CCCO1)C2 ZINC000709828351 712228590 /nfs/dbraw/zinc/22/85/90/712228590.db2.gz UVODKOZETDKPGE-QNWHQSFQSA-N 2 0 224.348 1.367 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCc2ccns2)CC[N@@H+]1C ZINC000709826012 712228967 /nfs/dbraw/zinc/22/89/67/712228967.db2.gz OSWSUXXEHZAVER-GHMZBOCLSA-N 2 0 239.388 1.758 20 0 BDADRP Cn1nccc1CC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000710012317 712240527 /nfs/dbraw/zinc/24/05/27/712240527.db2.gz AEVJGAUHBASLLA-AWEZNQCLSA-N 2 0 248.374 1.038 20 0 BDADRP C[N@H+](CCCCCC[NH3+])C[C@@H](O)C(F)(F)F ZINC000710705106 712254621 /nfs/dbraw/zinc/25/46/21/712254621.db2.gz HZXXMIVGFSAXIW-SECBINFHSA-N 2 0 242.285 1.361 20 0 BDADRP C[N@H+](CCCCCC[NH3+])[C@@H]1CCN(C2CC2)C1 ZINC000710724971 712255388 /nfs/dbraw/zinc/25/53/88/712255388.db2.gz POOJYBHONLWVPL-CQSZACIVSA-N 2 0 239.407 1.674 20 0 BDADRP C[N@H+](CCCCCC[NH3+])Cc1cc[nH]n1 ZINC000710804954 712257447 /nfs/dbraw/zinc/25/74/47/712257447.db2.gz OXMBJTHBKPHQML-UHFFFAOYSA-N 2 0 210.325 1.361 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC(C)(C)CO1)C1C[NH2+]C1 ZINC000711241531 712291264 /nfs/dbraw/zinc/29/12/64/712291264.db2.gz XHCWLYYGPIALQM-CMPLNLGQSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@H]1CCC2(CCC2)O1 ZINC000711469773 712303403 /nfs/dbraw/zinc/30/34/03/712303403.db2.gz OFRYMMYOVLOENJ-FRRDWIJNSA-N 2 0 238.375 1.900 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCOC2CC2)C1 ZINC000711734115 712320653 /nfs/dbraw/zinc/32/06/53/712320653.db2.gz YHZCOBCERANOFQ-MNOVXSKESA-N 2 0 212.337 1.225 20 0 BDADRP C[C@@H]1[C@H](C)NC[C@H](C)[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000923435004 712322232 /nfs/dbraw/zinc/32/22/32/712322232.db2.gz CUNQWPPCVADDEK-YYHQMBLXSA-N 2 0 225.380 1.185 20 0 BDADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCOC1CC1 ZINC000711755117 712324810 /nfs/dbraw/zinc/32/48/10/712324810.db2.gz WRJNVZSAJSNBHQ-NSHDSACASA-N 2 0 212.337 1.369 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCOC3CC3)C[C@H]21 ZINC000711759909 712326379 /nfs/dbraw/zinc/32/63/79/712326379.db2.gz RDTWSYXHIUGQJA-CYZMBNFOSA-N 2 0 224.348 1.225 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[NH+](C2CCC2)CC1 ZINC000378911078 712367113 /nfs/dbraw/zinc/36/71/13/712367113.db2.gz ROVBCJPHGKIHDK-OLZOCXBDSA-N 2 0 237.391 1.012 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000712323758 712396742 /nfs/dbraw/zinc/39/67/42/712396742.db2.gz QNFIFKCQABDPAX-FQUUOJAGSA-N 2 0 238.375 1.173 20 0 BDADRP C([C@H]1CCC2(CCC2)O1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000712440297 712429776 /nfs/dbraw/zinc/42/97/76/712429776.db2.gz ZYROTDPSNNIOME-JHJVBQTASA-N 2 0 236.359 1.239 20 0 BDADRP C[N@@H+]1CC[C@@H]1CNc1cc[nH+]c2ccccc12 ZINC000712593867 712435617 /nfs/dbraw/zinc/43/56/17/712435617.db2.gz FLXAKJUEHCWWDZ-LLVKDONJSA-N 2 0 227.311 1.773 20 0 BDADRP CC1(C)CC[NH2+]CC[N@@H+]1C[C@@H]1CCCCO1 ZINC000712555156 712445479 /nfs/dbraw/zinc/44/54/79/712445479.db2.gz RGBHEUXSMVFHAG-LBPRGKRZSA-N 2 0 226.364 1.629 20 0 BDADRP C[N@H+](CCOCC[NH3+])C[C@H]1CCC(C)(C)CO1 ZINC000713596805 712466082 /nfs/dbraw/zinc/46/60/82/712466082.db2.gz OUWIGCPZUNTVCD-GFCCVEGCSA-N 2 0 244.379 1.099 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCC(C)(C)CO2)CC[C@H]1[NH3+] ZINC000713596607 712466119 /nfs/dbraw/zinc/46/61/19/712466119.db2.gz NALBJVFUQAAKQR-FRRDWIJNSA-N 2 0 240.391 1.861 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000714625329 712491560 /nfs/dbraw/zinc/49/15/60/712491560.db2.gz JXSXJRJQXVERBR-BJDJZHNGSA-N 2 0 212.337 1.271 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000714722024 712496279 /nfs/dbraw/zinc/49/62/79/712496279.db2.gz HYHXPJGKRGDGJE-CYDGBPFRSA-N 2 0 226.364 1.532 20 0 BDADRP CCC1([NH3+])CC[NH+](Cc2nc(C)ccc2O)CC1 ZINC000714756337 712498015 /nfs/dbraw/zinc/49/80/15/712498015.db2.gz CILXJBPCPLYBNU-UHFFFAOYSA-N 2 0 249.358 1.799 20 0 BDADRP C[C@H](CC(N)=O)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715250793 712514322 /nfs/dbraw/zinc/51/43/22/712514322.db2.gz BBBLYWQEYKKPGR-XSRFYTQQSA-N 2 0 241.379 1.103 20 0 BDADRP C[C@@H]1OC[C@H]([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)[C@@H]1C ZINC000715545835 712527157 /nfs/dbraw/zinc/52/71/57/712527157.db2.gz ZBUPGNDBBNZMEQ-BJJPWKGXSA-N 2 0 240.391 1.872 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000037155268 712549576 /nfs/dbraw/zinc/54/95/76/712549576.db2.gz MDEWHEZQQGLLJE-RLAWYHOSSA-N 2 0 248.374 1.486 20 0 BDADRP CC[C@H](C[C@H](C)O)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000716848519 712578364 /nfs/dbraw/zinc/57/83/64/712578364.db2.gz DHCLCRJTGUSHJF-OUCADQQQSA-N 2 0 242.407 1.856 20 0 BDADRP C[C@@H]([NH3+])CC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000037607964 712676067 /nfs/dbraw/zinc/67/60/67/712676067.db2.gz NZTZTSKICPCKOR-SNVBAGLBSA-N 2 0 235.331 1.424 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC=CO2)C1 ZINC000380029653 712683632 /nfs/dbraw/zinc/68/36/32/712683632.db2.gz YEKMNVZRJTYMHW-IJLUTSLNSA-N 2 0 210.321 1.539 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+]CCCC[NH+](C)C ZINC000380060975 712684573 /nfs/dbraw/zinc/68/45/73/712684573.db2.gz ZNCGMKKQCJHCFY-VXGBXAGGSA-N 2 0 214.353 1.485 20 0 BDADRP C[C@H]1COCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000717970950 712736194 /nfs/dbraw/zinc/73/61/94/712736194.db2.gz VQXLBMVSEUHDDO-UTUOFQBUSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@H](Cc1ccco1)[NH2+]C1CC[NH2+]CC1 ZINC000038041070 712801526 /nfs/dbraw/zinc/80/15/26/712801526.db2.gz GTQHKAWPDKQWTP-SNVBAGLBSA-N 2 0 208.305 1.552 20 0 BDADRP C[C@H]1[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@@H+]1C ZINC000719620159 712816967 /nfs/dbraw/zinc/81/69/67/712816967.db2.gz VEWMMZWNKFZYGI-APYLGABCSA-N 2 0 237.391 1.294 20 0 BDADRP C[C@@H]1[C@@H](NC2CC[NH+](C3CC3)CC2)CC[N@@H+]1C ZINC000719620758 712817430 /nfs/dbraw/zinc/81/74/30/712817430.db2.gz WYPRPAIJSMSWNY-RISCZKNCSA-N 2 0 237.391 1.295 20 0 BDADRP [NH3+][C@@H]1CCCCCN(CCc2ccns2)C1 ZINC000719874564 712824812 /nfs/dbraw/zinc/82/48/12/712824812.db2.gz VKIUZXZRJPTSSU-LLVKDONJSA-N 2 0 239.388 1.889 20 0 BDADRP C[NH2+]CC1CC[NH+](Cc2cc(C)nnc2C)CC1 ZINC000720586408 712855470 /nfs/dbraw/zinc/85/54/70/712855470.db2.gz DOGZXGMBXLPNGA-UHFFFAOYSA-N 2 0 248.374 1.525 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C1 ZINC000720875838 712872748 /nfs/dbraw/zinc/87/27/48/712872748.db2.gz XOGANUQSBBYDFX-CYDGBPFRSA-N 2 0 224.348 1.225 20 0 BDADRP C[NH+]1CCC(C[NH2+]CCO[C@@H]2CC2(F)F)CC1 ZINC000690710772 958289133 /nfs/dbraw/zinc/28/91/33/958289133.db2.gz PZSUUQPFTDJYPI-LLVKDONJSA-N 2 0 248.317 1.342 20 0 BDADRP C[C@H]1CC[C@H](NCC(C)(C)C[NH+](C)C)C[NH2+]1 ZINC000399023211 958484688 /nfs/dbraw/zinc/48/46/88/958484688.db2.gz GDLIURJGVWHLNN-RYUDHWBXSA-N 2 0 227.396 1.304 20 0 BDADRP Cc1csc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)n1 ZINC000690740271 958876286 /nfs/dbraw/zinc/87/62/86/958876286.db2.gz TWILOJUDGCKZHW-SNVBAGLBSA-N 2 0 225.361 1.622 20 0 BDADRP CCC[C@H](O)C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693703722 959206373 /nfs/dbraw/zinc/20/63/73/959206373.db2.gz JEXAOZVHSFTWLV-QNWHQSFQSA-N 2 0 240.391 1.514 20 0 BDADRP [NH3+]C[C@H]1CCCC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000309466265 959879923 /nfs/dbraw/zinc/87/99/23/959879923.db2.gz SVIJCPRKPLLYOO-OLZOCXBDSA-N 2 0 226.364 1.616 20 0 BDADRP COCC1([NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925603497 960434209 /nfs/dbraw/zinc/43/42/09/960434209.db2.gz NQWPUYHMGKSGHV-GHMZBOCLSA-N 2 0 226.364 1.661 20 0 BDADRP CSCC[C@H](C)[NH2+]C[C@H]1CC[N@H+](C)C1 ZINC000709482747 960622081 /nfs/dbraw/zinc/62/20/81/960622081.db2.gz MIEGQKFOQJBKHW-WDEREUQCSA-N 2 0 216.394 1.669 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC2(C)CCOCC2)CC[NH2+]1 ZINC000709372514 961239634 /nfs/dbraw/zinc/23/96/34/961239634.db2.gz CRCXDPRLUOEUEH-NWDGAFQWSA-N 2 0 226.364 1.533 20 0 BDADRP C[NH+]1CCC2(C[NH+]([C@H]3C[C@H]4C[C@H]4C3)C2)CC1 ZINC001167956204 962804369 /nfs/dbraw/zinc/80/43/69/962804369.db2.gz LNKJDSDNLQENLA-ITGUQSILSA-N 2 0 220.360 1.813 20 0 BDADRP C[C@@H]1C[NH+](CC2CC[NH+](C)CC2)C[C@@H](C)C1O ZINC000697238812 963873867 /nfs/dbraw/zinc/87/38/67/963873867.db2.gz LMNIPXHGOIZYIS-VXGBXAGGSA-N 2 0 240.391 1.277 20 0 BDADRP CCCC1CCN(C(=O)[C@H]([NH3+])CCC[NH3+])CC1 ZINC001160455280 964303472 /nfs/dbraw/zinc/30/34/72/964303472.db2.gz SJNFKFPAAAYOCO-GFCCVEGCSA-N 2 0 241.379 1.091 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2CCO[C@@H]3C[C@@H]32)CC1 ZINC001168328784 964461815 /nfs/dbraw/zinc/46/18/15/964461815.db2.gz KGXCGEGYZBTPBI-IFWUJCSASA-N 2 0 224.348 1.332 20 0 BDADRP C[C@H](CC[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)[NH+](C)C ZINC000697994659 964854013 /nfs/dbraw/zinc/85/40/13/964854013.db2.gz XWUABLCKHUDNIB-FVCCEPFGSA-N 2 0 210.365 1.962 20 0 BDADRP C[C@H](CNC(=O)CCCCC[NH3+])[NH+]1CCCC1 ZINC000161050886 964867175 /nfs/dbraw/zinc/86/71/75/964867175.db2.gz BTHJMBDZKSNCAS-GFCCVEGCSA-N 2 0 241.379 1.106 20 0 BDADRP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1c[nH+]cn1C ZINC001162459512 964987772 /nfs/dbraw/zinc/98/77/72/964987772.db2.gz ZRCXUPQDCBJFRK-GHMZBOCLSA-N 2 0 222.336 1.468 20 0 BDADRP Cc1c(N)cc[nH+]c1NC[C@H]1C[NH2+][C@H](C)C1 ZINC001162554809 965042627 /nfs/dbraw/zinc/04/26/27/965042627.db2.gz IPOJVOMYKRRVFW-PSASIEDQSA-N 2 0 220.320 1.382 20 0 BDADRP C[NH+]1CCC(CC[NH+]2CCC(C[NH3+])CC2)CC1 ZINC001205026492 967295665 /nfs/dbraw/zinc/29/56/65/967295665.db2.gz QHEARLILSJJGTE-UHFFFAOYSA-N 3 0 239.407 1.389 20 0 BDADRP [NH3+][C@H]1CCCN(CC[C@@H]2CCCC[NH2+]2)CC1 ZINC001205095351 967338376 /nfs/dbraw/zinc/33/83/76/967338376.db2.gz WYVJDYANBJQIHK-STQMWFEESA-N 2 0 225.380 1.332 20 0 BDADRP C[NH+](C)CCc1ccccc1C[NH+](C)C ZINC001250158535 967453588 /nfs/dbraw/zinc/45/35/88/967453588.db2.gz ZETNQICINGVTGJ-UHFFFAOYSA-N 2 0 206.333 1.852 20 0 BDADRP C[C@@]1([NH3+])CCC[N@H+](Cc2cccnc2)CC1 ZINC001205264311 967458024 /nfs/dbraw/zinc/45/80/24/967458024.db2.gz JWXNUVOFDKLKGY-CYBMUJFWSA-N 2 0 219.332 1.785 20 0 BDADRP Cn1ccnc1C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205546243 967692937 /nfs/dbraw/zinc/69/29/37/967692937.db2.gz SQRXJPSOQYKRGN-GFCCVEGCSA-N 2 0 240.326 1.073 20 0 BDADRP CCC1(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)COC1 ZINC001205981487 967921451 /nfs/dbraw/zinc/92/14/51/967921451.db2.gz DSMCPRSJNVYKEY-OLZOCXBDSA-N 2 0 240.391 1.720 20 0 BDADRP CCC[NH+]1C[C@H]2C[NH+](C[C@H](O)CC)C[C@@H]2C1 ZINC001251782571 968327666 /nfs/dbraw/zinc/32/76/66/968327666.db2.gz JFSNLQUOIRVTRL-RWMBFGLXSA-N 2 0 226.364 1.031 20 0 BDADRP C[NH+](C)CC(C)(C)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001207287832 968718767 /nfs/dbraw/zinc/71/87/67/968718767.db2.gz GRQFCNHBOBJRQR-BETUJISGSA-N 2 0 239.407 1.353 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCCC[C@H](O)C2)CC1 ZINC001207391723 968748204 /nfs/dbraw/zinc/74/82/04/968748204.db2.gz NLAJGLQOBFNVIO-ZDUSSCGKSA-N 2 0 226.364 1.175 20 0 BDADRP CO[C@H]1CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC001207393960 968750316 /nfs/dbraw/zinc/75/03/16/968750316.db2.gz GSEHTIRPNADZKN-LBPRGKRZSA-N 2 0 212.337 1.049 20 0 BDADRP C[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C[C@H]1F ZINC001207436978 968769556 /nfs/dbraw/zinc/76/95/56/968769556.db2.gz YNBMYRWCQAGVOF-ZYHUDNBSSA-N 2 0 214.328 1.666 20 0 BDADRP CN1CCC([N@H+](C)C[C@@H]2CCCOC2)CC1 ZINC001207457846 968780194 /nfs/dbraw/zinc/78/01/94/968780194.db2.gz HVNMRCAVPOWLPB-LBPRGKRZSA-N 2 0 226.364 1.439 20 0 BDADRP C[NH+]1CCC(C)(C[N@@H+]2C[C@@H]3C[C@H]2CO3)CC1 ZINC001208114401 969009379 /nfs/dbraw/zinc/00/93/79/969009379.db2.gz VBONJYBNKMCNNY-RYUDHWBXSA-N 2 0 224.348 1.191 20 0 BDADRP CC[NH+](CC)C[C@@H](O)C[N@@H+]1C[C@@H](C)CC12CC2 ZINC001253194129 969108494 /nfs/dbraw/zinc/10/84/94/969108494.db2.gz JMCLDAHWNYUONE-QWHCGFSZSA-N 2 0 240.391 1.564 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2C[C@@H](O)C[C@H]2C)CC1 ZINC001208592080 969148597 /nfs/dbraw/zinc/14/85/97/969148597.db2.gz CWUPIZJQWNJGQS-YPMHNXCESA-N 2 0 226.364 1.173 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CCN(C)[C@H](C)C2)CC1 ZINC001208597366 969150659 /nfs/dbraw/zinc/15/06/59/969150659.db2.gz GSFCHFPSNKPXIT-CYBMUJFWSA-N 2 0 239.407 1.354 20 0 BDADRP CC[NH+]1CCC(C[NH+]2CC(OC(C)C)C2)CC1 ZINC001208602077 969155577 /nfs/dbraw/zinc/15/55/77/969155577.db2.gz XNIPBHWOFPADJU-UHFFFAOYSA-N 2 0 240.391 1.828 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2CCC[NH+](C)C2)C[C@@]1(C)O ZINC001208606851 969163218 /nfs/dbraw/zinc/16/32/18/969163218.db2.gz HVRZWTCHFREGOG-MGPQQGTHSA-N 2 0 240.391 1.421 20 0 BDADRP CCOC1CC[NH+](C[C@H]2CCC[N@H+](C)C2)CC1 ZINC001208606712 969161591 /nfs/dbraw/zinc/16/15/91/969161591.db2.gz HXLGGRCEJSERAH-ZDUSSCGKSA-N 2 0 240.391 1.829 20 0 BDADRP COCOCCC[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001209032375 969326069 /nfs/dbraw/zinc/32/60/69/969326069.db2.gz SBPAIPPWCXMKCJ-UHFFFAOYSA-N 2 0 242.363 1.025 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H]1CCCO1)C2 ZINC001169077927 969398318 /nfs/dbraw/zinc/39/83/18/969398318.db2.gz BXNOHEOGCSROBX-FVCCEPFGSA-N 2 0 224.348 1.380 20 0 BDADRP CC(C)[C@@H](O)C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC001253778529 969398644 /nfs/dbraw/zinc/39/86/44/969398644.db2.gz SJYZZANECGYYAN-STQMWFEESA-N 2 0 228.380 1.325 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH+]2CCCOCC2)CC1 ZINC001254516488 969693412 /nfs/dbraw/zinc/69/34/12/969693412.db2.gz NACLXMAXOVDPCO-GFCCVEGCSA-N 2 0 212.337 1.193 20 0 BDADRP C[C@@H]1C[N@@H+]([C@H]2CCC[NH+](C)CC2)CC[C@@]1(C)O ZINC001254517355 969695330 /nfs/dbraw/zinc/69/53/30/969695330.db2.gz UXIGIIGPTNEAEO-HZSPNIEDSA-N 2 0 240.391 1.564 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH+]2C[C@@H]3C[C@H]2C[C@H]3F)CC1 ZINC001254523518 969705708 /nfs/dbraw/zinc/70/57/08/969705708.db2.gz OTSBJTOMEHHNQU-QNWHQSFQSA-N 2 0 226.339 1.903 20 0 BDADRP CO[C@@H]1CC[N@@H+]([C@H]2CCC[NH+](C)CC2)[C@@H](C)C1 ZINC001254533028 969724975 /nfs/dbraw/zinc/72/49/75/969724975.db2.gz ISCWCRPFFYEJNL-MELADBBJSA-N 2 0 240.391 1.970 20 0 BDADRP CCOC(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)C[NH3+])C1 ZINC001255348464 970124726 /nfs/dbraw/zinc/12/47/26/970124726.db2.gz IEVIKZLGVWMYRS-QJPTWQEYSA-N 2 0 242.363 1.293 20 0 BDADRP C[NH+](C)[C@H]1CCCN([C@@H]2CCC[N@H+](C)C2)C1 ZINC001255485339 970235059 /nfs/dbraw/zinc/23/50/59/970235059.db2.gz BLGFLTUYRUXHHJ-QWHCGFSZSA-N 2 0 225.380 1.107 20 0 BDADRP CC[NH+](CC)[C@H]1CCN([C@@H]2CCC[N@H+](C)C2)C1 ZINC001255489831 970241798 /nfs/dbraw/zinc/24/17/98/970241798.db2.gz QPPHAQBPCXCIOF-KGLIPLIRSA-N 2 0 239.407 1.497 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H]1C[C@](C)(O)C1 ZINC001255945334 970574675 /nfs/dbraw/zinc/57/46/75/970574675.db2.gz KLVFQKYWOUOZIF-JHJVBQTASA-N 2 0 228.380 1.610 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N(CC[NH3+])C(C)C ZINC001255943872 970575721 /nfs/dbraw/zinc/57/57/21/970575721.db2.gz QKAIFEGNAIPOKH-CYBMUJFWSA-N 2 0 229.412 1.776 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]C[C@H]1COCCO1 ZINC001255941989 970577925 /nfs/dbraw/zinc/57/79/25/970577925.db2.gz AOZBGKBBFXNIBG-STQMWFEESA-N 2 0 244.379 1.112 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+][C@]1(C)CCOC1 ZINC001255950622 970584132 /nfs/dbraw/zinc/58/41/32/970584132.db2.gz BPPXRTUQFCFPJP-CHWSQXEVSA-N 2 0 228.380 1.875 20 0 BDADRP Cc1csc(C[NH2+][C@H](C)C2CC[NH2+]CC2)n1 ZINC000400439546 970588775 /nfs/dbraw/zinc/58/87/75/970588775.db2.gz MCZVVPKEXDPPCE-SNVBAGLBSA-N 2 0 239.388 1.929 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CC[C@@H](CO)[C@H]1C ZINC001255956241 970594529 /nfs/dbraw/zinc/59/45/29/970594529.db2.gz IXLORQXPINXQOZ-MCIONIFRSA-N 2 0 242.407 1.810 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CC[C@@H](O)C[C@H]1C ZINC001255963142 970600104 /nfs/dbraw/zinc/60/01/04/970600104.db2.gz CYWHUIOAVODXEB-MGPQQGTHSA-N 2 0 242.407 1.952 20 0 BDADRP CC[C@@H]1C[C@@H]([N@H+](C)C2CCN(C)CC2)CCO1 ZINC001170202315 970598704 /nfs/dbraw/zinc/59/87/04/970598704.db2.gz GEAGPPZERLPWLO-UONOGXRCSA-N 2 0 240.391 1.970 20 0 BDADRP C[C@@H]([NH2+]Cc1cocn1)C1CC[NH2+]CC1 ZINC000400644600 970615312 /nfs/dbraw/zinc/61/53/12/970615312.db2.gz OSMDDGFNGQRLMX-SECBINFHSA-N 2 0 209.293 1.152 20 0 BDADRP CN1CCC([NH2+][C@H]2CC[C@@H]([NH+](C)C)CC2)CC1 ZINC001256201356 970698380 /nfs/dbraw/zinc/69/83/80/970698380.db2.gz HKSXIJPLIRXXOK-XBXGTLAGSA-N 2 0 239.407 1.543 20 0 BDADRP CCCC[NH+]1CCN([C@@H]2CC[N@H+](CC)C2)CC1 ZINC001173365459 975347170 /nfs/dbraw/zinc/34/71/70/975347170.db2.gz IIXOAIOJORQWIL-CQSZACIVSA-N 2 0 239.407 1.498 20 0 BDADRP C[C@H]([NH3+])CN(CC[NH3+])Cc1cccc(Cl)c1 ZINC001337600903 978422521 /nfs/dbraw/zinc/42/25/21/978422521.db2.gz BUARRYPARJTVKD-JTQLQIEISA-N 2 0 241.766 1.448 20 0 BDADRP CC1(C)C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCN1 ZINC001235832659 979162968 /nfs/dbraw/zinc/16/29/68/979162968.db2.gz BBQRPHUMTAALPL-LBPRGKRZSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@H]1CC[C@H]([NH3+])CN1CC1(C)CC[NH2+]CC1 ZINC001235892425 979184144 /nfs/dbraw/zinc/18/41/44/979184144.db2.gz QJNHDAAQBZEBCT-RYUDHWBXSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@H]([NH3+])CN(C)CC/C=C/c1cccnc1 ZINC001236100981 979388734 /nfs/dbraw/zinc/38/87/34/979388734.db2.gz LGFXPTJXAWUOHS-MJRJWQSSSA-N 2 0 219.332 1.764 20 0 BDADRP CCC[NH+]1C[C@H]2C[NH+](CCCCCO)C[C@@H]2C1 ZINC001236323211 979536122 /nfs/dbraw/zinc/53/61/22/979536122.db2.gz XSTMHBIIKQVQSX-KBPBESRZSA-N 2 0 240.391 1.423 20 0 BDADRP C[NH2+]CCCN(C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236584526 979665612 /nfs/dbraw/zinc/66/56/12/979665612.db2.gz HPPGVNFZSZGYNP-GFCCVEGCSA-N 2 0 225.380 1.060 20 0 BDADRP O[C@@H](C[NH2+][C@@H]1C[C@H]1C1CCC1)C[NH+]1CCCC1 ZINC001346352770 980816644 /nfs/dbraw/zinc/81/66/44/980816644.db2.gz JHUNFLLDOXDPCB-MELADBBJSA-N 2 0 238.375 1.221 20 0 BDADRP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)[C@@H](C)O)C1 ZINC001191257056 981003855 /nfs/dbraw/zinc/00/38/55/981003855.db2.gz IPJLDPNEALYHEZ-XQQFMLRXSA-N 2 0 228.380 1.419 20 0 BDADRP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](CC(C)(C)C)C2 ZINC001201441296 983242661 /nfs/dbraw/zinc/24/26/61/983242661.db2.gz AHHRCZOIUFTDAN-DGCLKSJQSA-N 2 0 210.365 1.916 20 0 BDADRP C[C@]1(C[NH3+])CCCC[N@@H+]([C@@H]2CCSC2)C1 ZINC001246588009 972978146 /nfs/dbraw/zinc/97/81/46/972978146.db2.gz XLPXRXKDLLQNIL-VXGBXAGGSA-N 2 0 228.405 1.943 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@](C)(O)[C@H](C)C2)CC[NH2+]1 ZINC001246591695 972997577 /nfs/dbraw/zinc/99/75/77/972997577.db2.gz NNZMVYXBJYZYJS-MQYQWHSLSA-N 2 0 240.391 1.610 20 0 BDADRP CC[C@H](Cc1ccccc1)N(CC[NH3+])CC[NH3+] ZINC001246835268 973127911 /nfs/dbraw/zinc/12/79/11/973127911.db2.gz WIHXBYJWXVGLSO-CQSZACIVSA-N 2 0 235.375 1.227 20 0 BDADRP C[C@@H](Cc1ccccn1)[NH+]1CCC(C)([NH3+])CC1 ZINC001256402387 970809680 /nfs/dbraw/zinc/80/96/80/970809680.db2.gz IAVYHVSIADPPKM-LBPRGKRZSA-N 2 0 233.359 1.826 20 0 BDADRP C[C@@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@H]1O ZINC001256624507 970891685 /nfs/dbraw/zinc/89/16/85/970891685.db2.gz YNYABJPYUYOPNU-SYCZCVCYSA-N 2 0 238.375 1.314 20 0 BDADRP C[C@@H]1CN(C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@@H+]1C ZINC001256628550 970893221 /nfs/dbraw/zinc/89/32/21/970893221.db2.gz JTCZAENEDZGHIQ-HABKJSAYSA-N 2 0 237.391 1.248 20 0 BDADRP CCCC[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC000403240567 970897347 /nfs/dbraw/zinc/89/73/47/970897347.db2.gz PNISNUYPLKAHMM-VIFPVBQESA-N 2 0 206.280 1.702 20 0 BDADRP CO[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000234875579 973781685 /nfs/dbraw/zinc/78/16/85/973781685.db2.gz JCWFGZBISMHGNK-YNEHKIRRSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H](Cc1ccncc1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC001256718307 970938415 /nfs/dbraw/zinc/93/84/15/970938415.db2.gz GMVIVNNCFXTANV-FPMFFAJLSA-N 2 0 233.359 1.872 20 0 BDADRP C[C@@H](C[NH3+])C[N@H+](C)[C@@H](C)Cc1ccncc1 ZINC001256726733 970947621 /nfs/dbraw/zinc/94/76/21/970947621.db2.gz BLLOASLMTXXPHI-RYUDHWBXSA-N 2 0 221.348 1.539 20 0 BDADRP C[C@H](Cc1ccncc1)[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC001256732125 970957567 /nfs/dbraw/zinc/95/75/67/970957567.db2.gz AYUXMKWMJZRHEW-KGYLQXTDSA-N 2 0 219.332 1.482 20 0 BDADRP CC(=O)C[N@@H+](C)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256855376 970996813 /nfs/dbraw/zinc/99/68/13/970996813.db2.gz KNOGAFNNPISWTR-UHFFFAOYSA-N 2 0 247.342 1.571 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]CC[C@@H](C)CO)CC1 ZINC001257210164 971127024 /nfs/dbraw/zinc/12/70/24/971127024.db2.gz HQIUOCQARYYCTG-GFCCVEGCSA-N 2 0 228.380 1.467 20 0 BDADRP CC(C)[NH+]1CCC(n2cc(CC[NH3+])cn2)CC1 ZINC001257208274 971128935 /nfs/dbraw/zinc/12/89/35/971128935.db2.gz XZUNTYWTDPUZDT-UHFFFAOYSA-N 2 0 236.363 1.430 20 0 BDADRP CC(C)[NH+]1CCC([N@@H+]2CCC[C@@H](CO)C2)CC1 ZINC001257213619 971129993 /nfs/dbraw/zinc/12/99/93/971129993.db2.gz RNCHZNDQDXFIIM-CYBMUJFWSA-N 2 0 240.391 1.564 20 0 BDADRP CCC[C@H](CC)NC(=[NH2+])SCC[NH3+] ZINC001257247548 971143548 /nfs/dbraw/zinc/14/35/48/971143548.db2.gz XJCWYVYRTCGECA-QMMMGPOBSA-N 2 0 203.355 1.781 20 0 BDADRP CC(C)O[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000404799535 971179997 /nfs/dbraw/zinc/17/99/97/971179997.db2.gz XZGIKMFOBHVGTN-RDBSUJKOSA-N 2 0 240.391 1.731 20 0 BDADRP CCC[C@H](C)[NH2+]CCCOCCOCCC[NH3+] ZINC001257307064 971195518 /nfs/dbraw/zinc/19/55/18/971195518.db2.gz DRJIHDDZIANNAK-ZDUSSCGKSA-N 2 0 246.395 1.537 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]CCC2(CO)CC2)C12CCC2 ZINC000405220166 971206379 /nfs/dbraw/zinc/20/63/79/971206379.db2.gz ADHADHPKJMRVEZ-QWRGUYRKSA-N 2 0 224.348 1.009 20 0 BDADRP CC[C@H](C)[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)OC ZINC000405215561 971207558 /nfs/dbraw/zinc/20/75/58/971207558.db2.gz JUQZVMAZRNYVGD-ZDEQEGDKSA-N 2 0 240.391 1.907 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)C(C)C ZINC000405214797 971208741 /nfs/dbraw/zinc/20/87/41/971208741.db2.gz JPKWJFKNCINXJB-GRYCIOLGSA-N 2 0 226.364 1.517 20 0 BDADRP CCC[N@H+](CC)CCN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405201912 971208863 /nfs/dbraw/zinc/20/88/63/971208863.db2.gz BDPNCLNEDUXJIS-CHWSQXEVSA-N 2 0 239.407 1.578 20 0 BDADRP C[N@@H+]1CCC[C@H](CN[C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000405227126 971211369 /nfs/dbraw/zinc/21/13/69/971211369.db2.gz PAWKPZQQGNGIBX-AGIUHOORSA-N 2 0 237.391 1.188 20 0 BDADRP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)C(C)(C)O ZINC000405226903 971211656 /nfs/dbraw/zinc/21/16/56/971211656.db2.gz DNSLWPOYUXSLCK-GARJFASQSA-N 2 0 226.364 1.395 20 0 BDADRP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)[C@@H](C)O ZINC000405237103 971212663 /nfs/dbraw/zinc/21/26/63/971212663.db2.gz FGDYUZJBMLLUDK-VPOLOUISSA-N 2 0 212.337 1.005 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2ccncc2)C12CCC2 ZINC000405271672 971227043 /nfs/dbraw/zinc/22/70/43/971227043.db2.gz VBLDIHUDWPKWBG-QWHCGFSZSA-N 2 0 231.343 1.484 20 0 BDADRP COc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)cc1 ZINC000405287671 971228214 /nfs/dbraw/zinc/22/82/14/971228214.db2.gz HBTHUIZQTJFWRA-STQMWFEESA-N 2 0 234.343 1.911 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]CCOCC(F)F)C12CCC2 ZINC000405293392 971231193 /nfs/dbraw/zinc/23/11/93/971231193.db2.gz ZJUVNTZLMABWKM-IUCAKERBSA-N 2 0 234.290 1.128 20 0 BDADRP CSCCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405301616 971233090 /nfs/dbraw/zinc/23/30/90/971233090.db2.gz IUWZKOIQAUYDLV-VHSXEESVSA-N 2 0 214.378 1.599 20 0 BDADRP CC[C@H](CSC)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405299098 971233686 /nfs/dbraw/zinc/23/36/86/971233686.db2.gz INCXDMZLJUPIFE-VWYCJHECSA-N 2 0 228.405 1.988 20 0 BDADRP CC(C)CCOCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405343691 971241105 /nfs/dbraw/zinc/24/11/05/971241105.db2.gz JPQVVFLNGSOHEP-OLZOCXBDSA-N 2 0 240.391 1.909 20 0 BDADRP CCOC[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405367895 971242057 /nfs/dbraw/zinc/24/20/57/971242057.db2.gz XKSQQNMFCBFHHL-DCAQKATOSA-N 2 0 212.337 1.271 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCOC2)C12CCC2 ZINC000405399936 971246724 /nfs/dbraw/zinc/24/67/24/971246724.db2.gz JTVADCMATZQRCM-IJLUTSLNSA-N 2 0 224.348 1.273 20 0 BDADRP [NH3+][C@@H]1C[C@H](NC[C@H]2CC[N@@H+](C3CC3)C2)C12CCC2 ZINC000405371968 971246787 /nfs/dbraw/zinc/24/67/87/971246787.db2.gz ZISCAPMFNHURIQ-BNOWGMLFSA-N 2 0 249.402 1.330 20 0 BDADRP COCC(C)(C)C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405440900 971252492 /nfs/dbraw/zinc/25/24/92/971252492.db2.gz VNYUPGQVZXFNNB-QWRGUYRKSA-N 2 0 226.364 1.519 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]CC2=CCOCC2)C12CCC2 ZINC000405411357 971252615 /nfs/dbraw/zinc/25/26/15/971252615.db2.gz ULAGDIOAHFKMQN-RYUDHWBXSA-N 2 0 222.332 1.193 20 0 BDADRP C[N@H+]1CC=C(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000405437585 971252655 /nfs/dbraw/zinc/25/26/55/971252655.db2.gz UVYPLMFFJLMQBX-OLZOCXBDSA-N 3 0 235.375 1.108 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CCO1 ZINC000405453823 971261863 /nfs/dbraw/zinc/26/18/63/971261863.db2.gz YEYVMJYNUPINQS-WYUUTHIRSA-N 2 0 224.348 1.413 20 0 BDADRP CCCCOC(=O)CC[C@H](C)[NH2+]C1CC([NH3+])C1 ZINC001257385402 971297813 /nfs/dbraw/zinc/29/78/13/971297813.db2.gz HMJADCCPTTVRTN-UNXYVOJBSA-N 2 0 242.363 1.578 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@H]1CO[C@@H](C)[C@@H]1C ZINC000405795342 971305211 /nfs/dbraw/zinc/30/52/11/971305211.db2.gz UDTQHXDEMKETAR-AVGNSLFASA-N 2 0 228.380 1.730 20 0 BDADRP C[C@]1([NH3+])CCN(CCOCc2ccccc2)C1 ZINC000405783104 971307411 /nfs/dbraw/zinc/30/74/11/971307411.db2.gz QCKPWMZIXDFKJD-AWEZNQCLSA-N 2 0 234.343 1.626 20 0 BDADRP CCCC[C@H](CC)[NH+]1CCN(CCC[NH3+])CC1 ZINC001257413914 971308841 /nfs/dbraw/zinc/30/88/41/971308841.db2.gz GYUMROIFOGXETD-AWEZNQCLSA-N 2 0 241.423 1.922 20 0 BDADRP C1CC1c1nnc([C@H]2C[NH2+]CC23CC[NH2+]CC3)o1 ZINC001217704988 971345447 /nfs/dbraw/zinc/34/54/47/971345447.db2.gz KBAQMRGJGUHBRK-SNVBAGLBSA-N 2 0 248.330 1.004 20 0 BDADRP CC1(CO[C@@H]2C[NH2+]CCC[C@@H]2F)CC[NH2+]CC1 ZINC001217774154 971396916 /nfs/dbraw/zinc/39/69/16/971396916.db2.gz NENIONLNMFYYOO-NWDGAFQWSA-N 2 0 244.354 1.483 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1OC[C@H]1CCC[NH2+]C1 ZINC001217788927 971406620 /nfs/dbraw/zinc/40/66/20/971406620.db2.gz NRNIVDPJGDSMQJ-AGIUHOORSA-N 2 0 226.364 1.391 20 0 BDADRP C[C@H]1C[C@@H](OCCCC2CC[NH2+]CC2)CC[NH2+]1 ZINC001217788444 971407967 /nfs/dbraw/zinc/40/79/67/971407967.db2.gz DCIWAYQCXFDPCZ-JSGCOSHPSA-N 2 0 240.391 1.923 20 0 BDADRP CC(C)[C@H]([NH3+])CO[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001217813625 971416311 /nfs/dbraw/zinc/41/63/11/971416311.db2.gz HNXWRKGPOJUDAF-YVECIDJPSA-N 2 0 226.364 1.374 20 0 BDADRP C(CO[C@H]1[C@@H]2C[C@H]1C[NH2+]C2)CC1CC[NH2+]CC1 ZINC001217814268 971416491 /nfs/dbraw/zinc/41/64/91/971416491.db2.gz GEQOKPNPFOGJOI-WDNDVIMCSA-N 2 0 238.375 1.391 20 0 BDADRP C(C[C@@H]1CC[NH2+]C1)O[C@@H]1CC[C@@H]2CCC[C@H]1[NH2+]2 ZINC001217820743 971417936 /nfs/dbraw/zinc/41/79/36/971417936.db2.gz RYMDYEPIEHHFHM-IGQOVBAYSA-N 2 0 238.375 1.676 20 0 BDADRP CCCCC[C@H](C)[NH2+]CCC[N@H+](C)CCO ZINC001257508954 971429731 /nfs/dbraw/zinc/42/97/31/971429731.db2.gz MHTCYHNJNKABDN-ZDUSSCGKSA-N 2 0 230.396 1.859 20 0 BDADRP C(O[C@@H]1C[C@@H]2CC[NH2+][C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC001217848259 971441809 /nfs/dbraw/zinc/44/18/09/971441809.db2.gz HHNHUOMQIPHICT-XQHKEYJVSA-N 2 0 224.348 1.143 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1CO[C@@H]1CCC[NH2+]C1 ZINC001217859183 971451329 /nfs/dbraw/zinc/45/13/29/971451329.db2.gz FAEKVJQPGMFLMT-VXGBXAGGSA-N 2 0 212.337 1.239 20 0 BDADRP C(CO[C@H]1CCC[NH2+]C1)CC1CC[NH2+]CC1 ZINC001217861520 971455484 /nfs/dbraw/zinc/45/54/84/971455484.db2.gz WXFAXTIRZZXVCI-ZDUSSCGKSA-N 2 0 226.364 1.535 20 0 BDADRP CC(C)[N@@H+]1CCC[C@@H](OC[C@H]2CCC[NH2+]C2)C1 ZINC001217889184 971485257 /nfs/dbraw/zinc/48/52/57/971485257.db2.gz DPMASRLIEZBEQG-UONOGXRCSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1CC[C@@H](OC[C@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001217909653 971509489 /nfs/dbraw/zinc/50/94/89/971509489.db2.gz GUXAXMXKIGPVPI-GRYCIOLGSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H]1CC[C@H](OCc2ccc(C[NH3+])cc2)C[NH2+]1 ZINC001217912540 971513029 /nfs/dbraw/zinc/51/30/29/971513029.db2.gz UYQXECWHOIFSIG-RISCZKNCSA-N 2 0 234.343 1.802 20 0 BDADRP C[C@H]1C[NH2+]CC[C@H]1OCCCC1CC[NH2+]CC1 ZINC001217916770 971516469 /nfs/dbraw/zinc/51/64/69/971516469.db2.gz LSRLTGTYVQQVKH-GXTWGEPZSA-N 2 0 240.391 1.781 20 0 BDADRP C[NH+](C)CCC[NH2+]C1CCC2(COC2)CC1 ZINC001257894402 971525414 /nfs/dbraw/zinc/52/54/14/971525414.db2.gz SEMCOZBGSCBKOB-UHFFFAOYSA-N 2 0 226.364 1.487 20 0 BDADRP [NH3+]Cc1ccc(CO[C@@H]2[C@@H]3CC[C@H]2[NH2+]C3)cc1 ZINC001217924897 971529928 /nfs/dbraw/zinc/52/99/28/971529928.db2.gz NMQBHZFHHLXKGD-MGPQQGTHSA-N 2 0 232.327 1.412 20 0 BDADRP [NH3+]CCSCC[NH2+]C1CCC2(COC2)CC1 ZINC001257901860 971533688 /nfs/dbraw/zinc/53/36/88/971533688.db2.gz NFAYYHMKDQWHFS-UHFFFAOYSA-N 2 0 244.404 1.227 20 0 BDADRP CC(C)C[NH+]1CCC([NH2+][C@H]2C[C@H](O)C2)CC1 ZINC001258003008 971551348 /nfs/dbraw/zinc/55/13/48/971551348.db2.gz TWCOLYUDFWDCLN-JOCQHMNTSA-N 2 0 226.364 1.220 20 0 BDADRP CC(C)C[NH+]1CCC(n2ccnc2C[NH3+])CC1 ZINC001258001143 971553217 /nfs/dbraw/zinc/55/32/17/971553217.db2.gz FEZILKJEROBEMX-UHFFFAOYSA-N 2 0 236.363 1.635 20 0 BDADRP CC(C)C[C@H](C)C[C@@H](C)[NH2+]C[C@@H](O)C[NH3+] ZINC001258053533 971576124 /nfs/dbraw/zinc/57/61/24/971576124.db2.gz VJXGASVCDOXPKP-TUAOUCFPSA-N 2 0 216.369 1.356 20 0 BDADRP C[C@H]1C[C@@H](Oc2cccc(C[NH3+])c2)CC[NH2+]1 ZINC001218063521 971594679 /nfs/dbraw/zinc/59/46/79/971594679.db2.gz YZJQLAGWIFGHDD-GWCFXTLKSA-N 2 0 220.316 1.665 20 0 BDADRP c1cc(OC2CC3(C2)CC[NH2+]C3)cc2c1C[NH2+]C2 ZINC001218060574 971595617 /nfs/dbraw/zinc/59/56/17/971595617.db2.gz KVHHTWBHOZIVEB-UHFFFAOYSA-N 2 0 244.338 1.811 20 0 BDADRP [NH3+]Cc1ccccc1O[C@@H]1CC[C@]12CC[NH2+]C2 ZINC001218117788 971602393 /nfs/dbraw/zinc/60/23/93/971602393.db2.gz MOWXYPLRRKCKCL-ZIAGYGMSSA-N 2 0 232.327 1.666 20 0 BDADRP c1cc2c(cc1O[C@H]1C[C@H]3C[C@@H]1C[NH2+]3)CC[NH2+]C2 ZINC001218140531 971604690 /nfs/dbraw/zinc/60/46/90/971604690.db2.gz FGJHCDRGALMEFG-NFAWXSAZSA-N 2 0 244.338 1.462 20 0 BDADRP [NH3+]Cc1cccc(O[C@@H]2CC[NH2+][C@H]3CCO[C@@H]32)c1 ZINC001218163748 971610162 /nfs/dbraw/zinc/61/01/62/971610162.db2.gz VULPXXOLNLQZGA-MJBXVCDLSA-N 2 0 248.326 1.044 20 0 BDADRP C[C@@H]([NH3+])c1ccc(O[C@@H]2CCC23C[NH2+]C3)cc1 ZINC001218243734 971649473 /nfs/dbraw/zinc/64/94/73/971649473.db2.gz HRMCAKQHSFMOBI-ZWNOBZJWSA-N 2 0 232.327 1.837 20 0 BDADRP [NH3+]Cc1cccc(O[C@H]2CCC23C[NH2+]C3)c1 ZINC001218244399 971649678 /nfs/dbraw/zinc/64/96/78/971649678.db2.gz PFCGSSLCAIPWFT-LBPRGKRZSA-N 2 0 218.300 1.276 20 0 BDADRP [NH3+]Cc1ccc(O[C@@H]2C[NH2+]CCC23CC3)cc1 ZINC001218402567 971778935 /nfs/dbraw/zinc/77/89/35/971778935.db2.gz HJGIVONOTTWWAX-CYBMUJFWSA-N 2 0 232.327 1.666 20 0 BDADRP c1cc(O[C@@H]2C[NH2+]CCC23CC3)cc2c1C[NH2+]C2 ZINC001218405740 971780821 /nfs/dbraw/zinc/78/08/21/971780821.db2.gz QEZNWBWUWQLDAR-CQSZACIVSA-N 2 0 244.338 1.811 20 0 BDADRP CCN(CC[NH2+]CC1CC[NH+](C)CC1)C1CC1 ZINC000217504517 971820348 /nfs/dbraw/zinc/82/03/48/971820348.db2.gz GKZCZMNKNUUYEA-UHFFFAOYSA-N 3 0 239.407 1.402 20 0 BDADRP [NH3+]Cc1ccccc1O[C@H]1[C@@H]2CC[C@H]1[NH2+]C2 ZINC001218444598 971821178 /nfs/dbraw/zinc/82/11/78/971821178.db2.gz KYGAUFYWZBMNKR-WZRBSPASSA-N 2 0 218.300 1.275 20 0 BDADRP [NH3+]Cc1ccc(O[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC001218452846 971821758 /nfs/dbraw/zinc/82/17/58/971821758.db2.gz MUKAVCMHZODHMM-NSHDSACASA-N 2 0 242.269 1.521 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1Oc1ccc2c(c1)C[NH2+]C2 ZINC001218482396 971831190 /nfs/dbraw/zinc/83/11/90/971831190.db2.gz IZPNDZVCYDOFJW-YGRLFVJLSA-N 2 0 232.327 1.667 20 0 BDADRP [NH3+][C@H](C(=O)Nc1ccsc1)C1CC[NH2+]CC1 ZINC001218534931 971855178 /nfs/dbraw/zinc/85/51/78/971855178.db2.gz FJXUAIJPWCDWPY-JTQLQIEISA-N 2 0 239.344 1.014 20 0 BDADRP N[C@@H](C[NH3+])c1ccc(C(=O)Nc2ccc[nH]2)cc1 ZINC001218716622 971925288 /nfs/dbraw/zinc/92/52/88/971925288.db2.gz XOEKZINDUHAIHZ-NSHDSACASA-N 2 0 244.298 1.226 20 0 BDADRP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3CCCOCC3)C[C@@H]2C1 ZINC001170832158 971944273 /nfs/dbraw/zinc/94/42/73/971944273.db2.gz WGEIVAYLXAREKH-FRRDWIJNSA-N 2 0 224.348 1.049 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCCOCC3)C2)C1 ZINC001170831590 971951654 /nfs/dbraw/zinc/95/16/54/971951654.db2.gz QLFMUMHWUTXLKM-ZIAGYGMSSA-N 2 0 238.375 1.583 20 0 BDADRP C[NH+](C)CCc1ccc(NC(=O)[C@@H]2CC[NH2+]2)cc1 ZINC001219022766 971974176 /nfs/dbraw/zinc/97/41/76/971974176.db2.gz SYFVDISQXLPXFA-ZDUSSCGKSA-N 2 0 247.342 1.091 20 0 BDADRP CC[C@H](C)OCC[C@@H](C)[NH2+]CCSCC[NH3+] ZINC001172344325 974611428 /nfs/dbraw/zinc/61/14/28/974611428.db2.gz UGUQQGLHWOXRDD-NEPJUHHUSA-N 2 0 248.436 1.862 20 0 BDADRP C[C@@H]([NH3+])CCNc1ccc([C@@H]2CCC[NH2+]2)cn1 ZINC001170886848 972034128 /nfs/dbraw/zinc/03/41/28/972034128.db2.gz IZNIXVCXFZTBKO-PWSUYJOCSA-N 2 0 234.347 1.655 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1nccc2sccc21 ZINC001170895810 972047788 /nfs/dbraw/zinc/04/77/88/972047788.db2.gz XVNINXNDRIYOJH-JTQLQIEISA-N 2 0 236.344 1.732 20 0 BDADRP CC(C)c1nccnc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170896623 972049854 /nfs/dbraw/zinc/04/98/54/972049854.db2.gz IDRFJKZGBLTFER-SECBINFHSA-N 2 0 223.324 1.036 20 0 BDADRP C[C@@H]([NH3+])CCNc1ccc([C@H](C)[NH3+])nc1 ZINC001170895490 972050112 /nfs/dbraw/zinc/05/01/12/972050112.db2.gz UCLMHVMBTJDESJ-BDAKNGLRSA-N 2 0 208.309 1.251 20 0 BDADRP CC(C)c1cnc(N[C@@H]([NH3+])CCC[NH3+])nc1 ZINC001170895802 972050850 /nfs/dbraw/zinc/05/08/50/972050850.db2.gz XOMUWGYBFPUQGB-SNVBAGLBSA-N 2 0 223.324 1.036 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1cccc2c1CC=C2 ZINC001170899714 972059907 /nfs/dbraw/zinc/05/99/07/972059907.db2.gz DTYQTZZEBDOUBP-ZDUSSCGKSA-N 2 0 217.316 1.692 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1cnc2c(c1)CCC2 ZINC001170899282 972060095 /nfs/dbraw/zinc/06/00/95/972060095.db2.gz IXPWUXNCSDUUNR-LBPRGKRZSA-N 2 0 220.320 1.006 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ncc2ccsc2n1 ZINC001170899118 972060128 /nfs/dbraw/zinc/06/01/28/972060128.db2.gz RZAKPRBDXXTILM-MRVPVSSYSA-N 2 0 237.332 1.127 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc(OC2CC2)cc1 ZINC001170899942 972064331 /nfs/dbraw/zinc/06/43/31/972064331.db2.gz GVJWRHGJLLLHNJ-CYBMUJFWSA-N 2 0 235.331 1.663 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1cnc2ccccc2c1 ZINC001170900206 972064475 /nfs/dbraw/zinc/06/44/75/972064475.db2.gz QIMYWUVASSUBOE-CYBMUJFWSA-N 2 0 230.315 1.670 20 0 BDADRP C=Cc1ccccc1N[C@H]([NH3+])CCC[NH3+] ZINC001170900314 972066573 /nfs/dbraw/zinc/06/65/73/972066573.db2.gz RSFQYZLKEAYPOH-LBPRGKRZSA-N 2 0 205.305 1.765 20 0 BDADRP Nc1cnc2c(cccc2N[C@@H]([NH3+])CCC[NH3+])c1 ZINC001170901071 972068897 /nfs/dbraw/zinc/06/88/97/972068897.db2.gz VLOPOSDFQDLGCN-GFCCVEGCSA-N 2 0 245.330 1.253 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc2ccoc2c1 ZINC001170900969 972069681 /nfs/dbraw/zinc/06/96/81/972069681.db2.gz SGOHGAZZDCRCHC-GFCCVEGCSA-N 2 0 219.288 1.868 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ncccc1Cl ZINC001170894572 972071042 /nfs/dbraw/zinc/07/10/42/972071042.db2.gz KYUOVLXAYHQQDU-QMMMGPOBSA-N 2 0 214.700 1.171 20 0 BDADRP CC(C)(C)c1ccc(N[C@@H]([NH3+])CCC[NH3+])cn1 ZINC001170904258 972078607 /nfs/dbraw/zinc/07/86/07/972078607.db2.gz MQUJFHCXFIBPBE-GFCCVEGCSA-N 2 0 236.363 1.815 20 0 BDADRP Cc1cc(N[C@@H]([NH3+])CCC[NH3+])nc2cc[nH]c21 ZINC001170903796 972078959 /nfs/dbraw/zinc/07/89/59/972078959.db2.gz LJAJSQCCMDKQNA-SNVBAGLBSA-N 2 0 233.319 1.307 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ncnc2ccc(F)cc21 ZINC001159779381 972107738 /nfs/dbraw/zinc/10/77/38/972107738.db2.gz GDFXRPVLONTHIO-LLVKDONJSA-N 2 0 249.293 1.205 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ncc(Cl)cc1Cl ZINC001159780039 972107925 /nfs/dbraw/zinc/10/79/25/972107925.db2.gz OHOIKXBAOVOFCJ-MRVPVSSYSA-N 2 0 249.145 1.824 20 0 BDADRP CC(C)(C)c1ccnc(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001159784449 972110569 /nfs/dbraw/zinc/11/05/69/972110569.db2.gz ISUWJHXZWCWLJS-JTQLQIEISA-N 2 0 237.351 1.210 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@H](O)C(C)(C)C)CC[C@H]1C[NH3+] ZINC001246018674 972114654 /nfs/dbraw/zinc/11/46/54/972114654.db2.gz FMZKVJQIQTVNPP-AGIUHOORSA-N 2 0 242.407 1.700 20 0 BDADRP Cc1[nH+]c(N[C@H]([NH3+])CCC[NH3+])cc2[nH]ccc21 ZINC001159787539 972116939 /nfs/dbraw/zinc/11/69/39/972116939.db2.gz XIERHPQKQXFESD-NSHDSACASA-N 3 0 233.319 1.307 20 0 BDADRP CC(C)(C)[C@@H](O)C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246019119 972118414 /nfs/dbraw/zinc/11/84/14/972118414.db2.gz CTUUMVTZRJTPFJ-JSGCOSHPSA-N 2 0 242.407 1.844 20 0 BDADRP CCCC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246029279 972122131 /nfs/dbraw/zinc/12/21/31/972122131.db2.gz LOPWTMNAXWLDKG-SRVKXCTJSA-N 2 0 232.343 1.299 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H](O)C(C)(C)C)CCC[C@H]1C[NH3+] ZINC001246031387 972122399 /nfs/dbraw/zinc/12/23/99/972122399.db2.gz PREKOQDQHTZHEJ-AGIUHOORSA-N 2 0 242.407 1.700 20 0 BDADRP CC1(C)C[C@H](N[C@@H](C[NH3+])c2ccccc2)CC[NH2+]1 ZINC001246074862 972129300 /nfs/dbraw/zinc/12/93/00/972129300.db2.gz GWEFASIASPFKLU-KGLIPLIRSA-N 2 0 247.386 1.807 20 0 BDADRP C1CC2(C1)C[C@@H](N[C@H]1CCCC[NH2+]C1)CC[NH2+]2 ZINC001246088967 972142119 /nfs/dbraw/zinc/14/21/19/972142119.db2.gz ADPHSHHCIMODIP-STQMWFEESA-N 2 0 237.391 1.393 20 0 BDADRP C1CC2(C1)C[C@@H](N[C@@H]1CCCC[NH2+]C1)CC[NH2+]2 ZINC001246088963 972143077 /nfs/dbraw/zinc/14/30/77/972143077.db2.gz ADPHSHHCIMODIP-QWHCGFSZSA-N 2 0 237.391 1.393 20 0 BDADRP Cc1ccc(C[NH3+])nc1N(C)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246089737 972143173 /nfs/dbraw/zinc/14/31/73/972143173.db2.gz SDUDSVDPTOXKOC-WCQYABFASA-N 2 0 248.374 1.425 20 0 BDADRP C[C@]1(CN[C@@H]2CCCC[NH2+]C2)CCCC[NH2+]C1 ZINC001246089861 972144147 /nfs/dbraw/zinc/14/41/47/972144147.db2.gz GZWVJPSZRSHOJO-KGLIPLIRSA-N 2 0 239.407 1.498 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)O3)C[NH2+]1 ZINC001246096055 972148147 /nfs/dbraw/zinc/14/81/47/972148147.db2.gz LOKTWMWJVZGLFG-YJBUHQLJSA-N 2 0 238.375 1.674 20 0 BDADRP C[C@H]1C[NH2+]C[C@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246095453 972148668 /nfs/dbraw/zinc/14/86/68/972148668.db2.gz BLPFLHFPLATWEM-LSGALXMHSA-N 2 0 237.391 1.105 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](CN[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246095528 972150364 /nfs/dbraw/zinc/15/03/64/972150364.db2.gz BLPFLHFPLATWEM-VJTDZRGJSA-N 2 0 237.391 1.105 20 0 BDADRP C[NH2+]CC[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]C[C@H]1C ZINC001246100325 972154584 /nfs/dbraw/zinc/15/45/84/972154584.db2.gz XHRAPKGJKAAHIG-AGIUHOORSA-N 3 0 227.396 1.210 20 0 BDADRP C[NH2+]CC[C@H](C)[NH2+]C[C@H]1CCC[NH2+]C[C@H]1C ZINC001246100342 972154919 /nfs/dbraw/zinc/15/49/19/972154919.db2.gz XHRAPKGJKAAHIG-FRRDWIJNSA-N 3 0 227.396 1.210 20 0 BDADRP C[C@@H](Cc1cccnc1)[NH2+]C[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001246098963 972155726 /nfs/dbraw/zinc/15/57/26/972155726.db2.gz KWWMBYHBTIQQJL-KCQAQPDRSA-N 2 0 247.386 1.848 20 0 BDADRP C[C@@H]1C[C@@H](NC[C@@H]2C[NH2+]C[C@@H](C)C2)C[C@H](C)[NH2+]1 ZINC001246102798 972161210 /nfs/dbraw/zinc/16/12/10/972161210.db2.gz SPXASISNCLYXKH-HPCHECBXSA-N 2 0 239.407 1.351 20 0 BDADRP C[C@H]1CC[C@@H](CNC2C[C@@H]3C=C[C@H](C2)[NH2+]3)[NH2+]C1 ZINC001246102335 972161779 /nfs/dbraw/zinc/16/17/79/972161779.db2.gz DBTDOVTYNJOJFK-VJBQPNPTSA-N 2 0 235.375 1.023 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccn2C)CC[NH2+]1 ZINC001246107839 972171290 /nfs/dbraw/zinc/17/12/90/972171290.db2.gz AQQRXVDPAWUTJP-MNOVXSKESA-N 2 0 207.321 1.255 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[NH2+]CC[C@H]2C)CC[NH2+]1 ZINC001246104863 972166134 /nfs/dbraw/zinc/16/61/34/972166134.db2.gz BZFSFQOOFQQCER-YIYPIFLZSA-N 3 0 239.407 1.352 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCO[C@@H](C)C2)[NH2+]C1 ZINC001246105104 972169086 /nfs/dbraw/zinc/16/90/86/972169086.db2.gz LUJHOSBJLDABJA-XQHKEYJVSA-N 2 0 226.364 1.532 20 0 BDADRP CC[C@@H]1C[C@H](NC[C@@H]2C[NH2+]CC[C@@H]2C)CC[NH2+]1 ZINC001246111614 972177188 /nfs/dbraw/zinc/17/71/88/972177188.db2.gz KSYQXIARTAISSM-IGQOVBAYSA-N 2 0 239.407 1.352 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+][C@@H]2C)CCO1 ZINC001246108944 972172801 /nfs/dbraw/zinc/17/28/01/972172801.db2.gz IYKJCQZMVROWDN-FDYHWXHSSA-N 2 0 226.364 1.532 20 0 BDADRP CC(C)[C@@H]1C[C@@H](NC[C@@H]2C[C@@H](F)C[NH2+]2)CC[NH2+]1 ZINC001246107203 972173766 /nfs/dbraw/zinc/17/37/66/972173766.db2.gz GTMDONCRETWQIF-VOAKCMCISA-N 2 0 243.370 1.053 20 0 BDADRP [NH3+]C1CC([NH2+]C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246110418 972175157 /nfs/dbraw/zinc/17/51/57/972175157.db2.gz IBKCHVWZMNCZRA-UHFFFAOYSA-N 3 0 237.391 1.378 20 0 BDADRP C[C@H]1C[C@H](NC[C@@H]2CCC[NH2+][C@H]2C)CC[NH2+]1 ZINC001246114482 972180874 /nfs/dbraw/zinc/18/08/74/972180874.db2.gz WQOOWWMCIZZXSF-ZDEQEGDKSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@H](Cc1ccccn1)[NH2+]C[C@H]1CCC[NH2+][C@H]1C ZINC001246115371 972182411 /nfs/dbraw/zinc/18/24/11/972182411.db2.gz YPYJWTRUUDOVNE-HZSPNIEDSA-N 2 0 247.386 1.990 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1CN[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246115640 972183556 /nfs/dbraw/zinc/18/35/56/972183556.db2.gz ZIQGQQONVORYIR-XQQFMLRXSA-N 2 0 239.407 1.495 20 0 BDADRP CC(C)C[NH+]1CCC(N[C@H]2CCC[NH2+]C2)CC1 ZINC001246119105 972183755 /nfs/dbraw/zinc/18/37/55/972183755.db2.gz BKGZBIVYADGNJP-AWEZNQCLSA-N 2 0 239.407 1.448 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N[C@@H]2C[NH2+]CC23CC3)CC[NH2+]1 ZINC001246134052 972190786 /nfs/dbraw/zinc/19/07/86/972190786.db2.gz OUYSINPDVKRNIL-RWMBFGLXSA-N 2 0 237.391 1.105 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1C[NH2+]CC13CC3)C2 ZINC001246134150 972191470 /nfs/dbraw/zinc/19/14/70/972191470.db2.gz PIDGXXVXDKIMEK-YIYPIFLZSA-N 2 0 249.402 1.343 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C23CCC([NH3+])(CC2)CC3)CC[NH2+]1 ZINC001246163644 972202085 /nfs/dbraw/zinc/20/20/85/972202085.db2.gz OLQBFAWRNCERRF-MRFVTOPCSA-N 3 0 237.391 1.521 20 0 BDADRP CC(C)(C)CC(C)(C)NC(=O)C[NH2+]CCC[NH3+] ZINC001220288602 972204011 /nfs/dbraw/zinc/20/40/11/972204011.db2.gz CEBBUMKYKNUFRK-UHFFFAOYSA-N 2 0 243.395 1.256 20 0 BDADRP Cc1ncn(C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1CC[NH3+] ZINC001246176494 972207601 /nfs/dbraw/zinc/20/76/01/972207601.db2.gz FFHWJVPQPWNRDX-FOSCPWQOSA-N 3 0 234.347 1.148 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+]2)CCO1 ZINC001246186113 972209903 /nfs/dbraw/zinc/20/99/03/972209903.db2.gz FDAYLNHVRKYWND-QJPTWQEYSA-N 2 0 212.337 1.286 20 0 BDADRP CC[C@@H]1C[C@H](N[C@H]2C[C@H]([NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246192057 972214693 /nfs/dbraw/zinc/21/46/93/972214693.db2.gz YLAXBZSCVQTTQP-HALBRFILSA-N 2 0 225.380 1.375 20 0 BDADRP CC[C@@H]1CC(NC[C@@H]2CC[NH2+]2)C[C@@H](CC)[NH2+]1 ZINC001246192601 972215636 /nfs/dbraw/zinc/21/56/36/972215636.db2.gz IJIUAOXSBYWBPI-UTUOFQBUSA-N 2 0 225.380 1.247 20 0 BDADRP CCCC[C@@H]1C[C@@H]([NH2+]CCCC[NH2+]C)CC[NH2+]1 ZINC001246206099 972216472 /nfs/dbraw/zinc/21/64/72/972216472.db2.gz XMJGENXVFCTZSI-KGLIPLIRSA-N 3 0 241.423 1.886 20 0 BDADRP C[C@@H]([NH3+])C(=O)NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001220511446 972234616 /nfs/dbraw/zinc/23/46/16/972234616.db2.gz XQDQNQHZEQJKIS-SECBINFHSA-N 2 0 241.379 1.101 20 0 BDADRP CCC1(N[C@@H]2CC[NH2+][C@@H](C(C)C)C2)C[NH2+]C1 ZINC001246236219 972241655 /nfs/dbraw/zinc/24/16/55/972241655.db2.gz NWVQZMQXVGPAMA-VXGBXAGGSA-N 2 0 225.380 1.105 20 0 BDADRP CC[NH+](CC)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC000073639203 957221610 /nfs/dbraw/zinc/22/16/10/957221610.db2.gz CZGRRERLQIMVCS-GFCCVEGCSA-N 2 0 243.395 1.175 20 0 BDADRP CC[NH2+]CCN[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246274033 972253248 /nfs/dbraw/zinc/25/32/48/972253248.db2.gz UQMDRDPWPJNKDL-NEPJUHHUSA-N 2 0 227.396 1.352 20 0 BDADRP CC(C)(C)[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]2[NH3+])CC[NH2+]1 ZINC001246278638 972253838 /nfs/dbraw/zinc/25/38/38/972253838.db2.gz KRVKLIAYYRVWOC-XQHKEYJVSA-N 2 0 239.407 1.623 20 0 BDADRP C[C@@H]1C[C@H](NCC2([NH3+])CCCCC2)CC[NH2+]1 ZINC001246277665 972254009 /nfs/dbraw/zinc/25/40/09/972254009.db2.gz ABUGCWITFCLINC-VXGBXAGGSA-N 2 0 225.380 1.378 20 0 BDADRP [NH3+][C@@H]1CCC[N@H+](Cc2ccc3c(c2)CCO3)CC1 ZINC000720733713 972261292 /nfs/dbraw/zinc/26/12/92/972261292.db2.gz CFTCCXXAGFCYDP-CQSZACIVSA-N 2 0 246.354 1.935 20 0 BDADRP COCCCC[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001209219114 957365965 /nfs/dbraw/zinc/36/59/65/957365965.db2.gz FWFHIVNWCRZFAA-UHFFFAOYSA-N 2 0 226.364 1.441 20 0 BDADRP CCOC(=O)C[C@H]1CC[C@H]([NH2+]CC[C@H](C)[NH3+])C1 ZINC001246300005 972263037 /nfs/dbraw/zinc/26/30/37/972263037.db2.gz LGNBLVLBNTZTKA-SRVKXCTJSA-N 2 0 242.363 1.435 20 0 BDADRP C[N@H+]([C@H]1COC(C)(C)C1)C1CCC([NH3+])CC1 ZINC000396951549 957394652 /nfs/dbraw/zinc/39/46/52/957394652.db2.gz YTQHJUQQZMEBSP-HTAVTVPLSA-N 2 0 226.364 1.756 20 0 BDADRP C[C@H]1C[N@H+](CCCC[NH3+])CCC[C@]1(C)O ZINC001209846632 957543071 /nfs/dbraw/zinc/54/30/71/957543071.db2.gz VGBJDVPCTZDYEJ-RYUDHWBXSA-N 2 0 214.353 1.208 20 0 BDADRP C[C@@H]1C[N@H+](CCCC[NH3+])CCC[C@@]1(C)O ZINC001209846635 957543771 /nfs/dbraw/zinc/54/37/71/957543771.db2.gz VGBJDVPCTZDYEJ-VXGBXAGGSA-N 2 0 214.353 1.208 20 0 BDADRP Cc1ccc(N[C@H]2CC[N@@H+](C)C2)[nH+]c1N ZINC001167272914 957613973 /nfs/dbraw/zinc/61/39/73/957613973.db2.gz HXOVCEOOZOGIMD-VIFPVBQESA-N 2 0 206.293 1.088 20 0 BDADRP C[C@@H]1CC(N[C@H]2C[NH2+]CCC2(C)C)C[C@@H](C)[NH2+]1 ZINC001246324411 972286243 /nfs/dbraw/zinc/28/62/43/972286243.db2.gz DZJMOBGSOIBBEY-WZRBSPASSA-N 2 0 239.407 1.493 20 0 BDADRP CCCO[C@@H]1CC[N@H+](CCCC[NH3+])C1 ZINC000706436317 957850297 /nfs/dbraw/zinc/85/02/97/957850297.db2.gz ZVHKTGKOTWHIBN-LLVKDONJSA-N 2 0 200.326 1.226 20 0 BDADRP C1CC([N@@H+]2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)C1 ZINC001246359269 972303244 /nfs/dbraw/zinc/30/32/44/972303244.db2.gz AFDAAKKHQYVSDM-WJLOJVBCSA-N 2 0 249.402 1.486 20 0 BDADRP CC(C)(C)[NH+]1CCC(N[C@@H]2CC23C[NH2+]C3)CC1 ZINC001246443950 972316558 /nfs/dbraw/zinc/31/65/58/972316558.db2.gz IUZGPRJGVKYERY-GFCCVEGCSA-N 2 0 237.391 1.201 20 0 BDADRP C1[C@H](N[C@@H]2CCC[N@@H+](C3CCCC3)C2)C12C[NH2+]C2 ZINC001246444288 972318078 /nfs/dbraw/zinc/31/80/78/972318078.db2.gz JXSWEGICYUFQMW-OCCSQVGLSA-N 2 0 249.402 1.345 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[C@@H](C[NH3+])C2)CN1 ZINC001246451006 972321488 /nfs/dbraw/zinc/32/14/88/972321488.db2.gz SQBHSDDKZNLNMR-YIYPIFLZSA-N 3 0 239.407 1.482 20 0 BDADRP COc1ccc(N[C@H]2CC[NH2+][C@@H](C)C2)cc1C[NH3+] ZINC001246454457 972323685 /nfs/dbraw/zinc/32/36/85/972323685.db2.gz UIIYRFJHVCPVAY-GWCFXTLKSA-N 2 0 249.358 1.706 20 0 BDADRP CC[C@H]1C[C@H](NC[C@@]2(C)CCC[NH2+]2)CC[NH2+]1 ZINC001246456732 972328465 /nfs/dbraw/zinc/32/84/65/972328465.db2.gz NXJFLWOXFBYHRZ-YNEHKIRRSA-N 2 0 225.380 1.249 20 0 BDADRP CCCC(C[NH3+])(CCC)NC(=O)[C@H](C)[NH2+]C ZINC001221372839 972332180 /nfs/dbraw/zinc/33/21/80/972332180.db2.gz SXLSVDIJKSXUFQ-JTQLQIEISA-N 2 0 229.368 1.008 20 0 BDADRP Cc1cccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000708873289 958272356 /nfs/dbraw/zinc/27/23/56/958272356.db2.gz ZNPHSTDPEITJEN-CMPLNLGQSA-N 2 0 219.332 1.417 20 0 BDADRP C(NC1CC[NH2+]CC1)[C@]1(CC2CC2)CCC[NH2+]1 ZINC001246461638 972337403 /nfs/dbraw/zinc/33/74/03/972337403.db2.gz OMYNVBMOQGBBTJ-CQSZACIVSA-N 2 0 237.391 1.250 20 0 BDADRP CC[C@]1(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]C1 ZINC001246467370 972344356 /nfs/dbraw/zinc/34/43/56/972344356.db2.gz ZFTSABPWZFJHFS-HNGCFSAESA-N 2 0 223.364 1.001 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@]3(CCOC3)C2)CC[NH2+]1 ZINC000707613288 958623240 /nfs/dbraw/zinc/62/32/40/958623240.db2.gz SEYXTVPMJVDDCI-FRRDWIJNSA-N 2 0 224.348 1.239 20 0 BDADRP CC[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(C)C)[NH+](C)C ZINC001266972278 958688160 /nfs/dbraw/zinc/68/81/60/958688160.db2.gz YRTMCDZCYSTCNN-NEPJUHHUSA-N 2 0 243.395 1.077 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC3(C2)CCOCC3)C1 ZINC000693541985 958734778 /nfs/dbraw/zinc/73/47/78/958734778.db2.gz BOSYVDOCZRRPAD-TXEJJXNPSA-N 2 0 224.348 1.226 20 0 BDADRP CO[C@@H]1CC[C@@H]1[N@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000724152924 958742222 /nfs/dbraw/zinc/74/22/22/958742222.db2.gz FVQBLZKQPKAHJP-FRRDWIJNSA-N 2 0 226.364 1.485 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCS1 ZINC000693564148 958815979 /nfs/dbraw/zinc/81/59/79/958815979.db2.gz ZWTIADGHICEGOR-OUAUKWLOSA-N 2 0 214.378 1.551 20 0 BDADRP CN(CC[NH3+])[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246522447 972379821 /nfs/dbraw/zinc/37/98/21/972379821.db2.gz CTDVBFZAGFLHPK-LSDHHAIUSA-N 2 0 247.386 1.240 20 0 BDADRP C[C@@H]1CC[C@@H](O)C[N@@H+]1CC(C)(C)C[NH+](C)C ZINC001207276107 958846970 /nfs/dbraw/zinc/84/69/70/958846970.db2.gz UKXJCMZFDRVJMC-VXGBXAGGSA-N 2 0 228.380 1.419 20 0 BDADRP CO[C@H]1CCC[N@@H+]([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246524304 972388693 /nfs/dbraw/zinc/38/86/93/972388693.db2.gz HLZIONBTFCMJSJ-UTUOFQBUSA-N 2 0 212.337 1.238 20 0 BDADRP Cc1cc(-n2cccc2C[NH3+])cc(C)[nH+]1 ZINC001167593267 958992083 /nfs/dbraw/zinc/99/20/83/958992083.db2.gz OLCALNDLUXFTES-UHFFFAOYSA-N 2 0 201.273 1.948 20 0 BDADRP CC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCCOC1 ZINC000693616757 959002270 /nfs/dbraw/zinc/00/22/70/959002270.db2.gz QRIVNVQTHHOPFJ-GRYCIOLGSA-N 2 0 212.337 1.225 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@]12C[C@H]1CCC2 ZINC000693622686 959017243 /nfs/dbraw/zinc/01/72/43/959017243.db2.gz SBRDUEYJWVZICF-AGIUHOORSA-N 2 0 226.364 1.520 20 0 BDADRP COCCCC[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001327090341 972400466 /nfs/dbraw/zinc/40/04/66/972400466.db2.gz VNULLFNNAGMKHU-UHFFFAOYSA-N 2 0 240.391 1.879 20 0 BDADRP C([C@@H]1CCCC[NH2+]1)N1CCC[C@]12CCC[NH2+]C2 ZINC001222230874 972415774 /nfs/dbraw/zinc/41/57/74/972415774.db2.gz FWYCCRGYHLPSMK-KBPBESRZSA-N 2 0 237.391 1.347 20 0 BDADRP CC[C@@H]1COC[C@H]1[NH2+]CCCC[NH+](C)C ZINC000829420560 959290676 /nfs/dbraw/zinc/29/06/76/959290676.db2.gz NELPTFSUZIZFQK-VXGBXAGGSA-N 2 0 214.353 1.343 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]CCOC(F)(F)F)C12CCC2 ZINC000405213139 959416173 /nfs/dbraw/zinc/41/61/73/959416173.db2.gz DQBUPWICOBKETH-YUMQZZPRSA-N 2 0 238.253 1.382 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405211199 959418105 /nfs/dbraw/zinc/41/81/05/959418105.db2.gz IDSMPQDMWRXEOQ-AGIUHOORSA-N 2 0 237.391 1.330 20 0 BDADRP CC(C)C[NH+]1CCC(N2C[C@@H](F)[C@@H]([NH3+])C2)CC1 ZINC001246530851 972436161 /nfs/dbraw/zinc/43/61/61/972436161.db2.gz OITBRHXOBYABDG-OLZOCXBDSA-N 2 0 243.370 1.088 20 0 BDADRP [NH3+]C[C@@H]1CCCC[N@H+](C[C@H]2CCOC2)C1 ZINC000308868043 959523783 /nfs/dbraw/zinc/52/37/83/959523783.db2.gz RHYYKOYQDLWTAL-NWDGAFQWSA-N 2 0 212.337 1.084 20 0 BDADRP COCCCC[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000308855825 959525140 /nfs/dbraw/zinc/52/51/40/959525140.db2.gz OAWNWRVIDLHUPY-LBPRGKRZSA-N 2 0 214.353 1.474 20 0 BDADRP C[C@@H]1CSC[C@@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000308963254 959552346 /nfs/dbraw/zinc/55/23/46/959552346.db2.gz KQMOWRJLUJYFAS-NEPJUHHUSA-N 2 0 228.405 1.813 20 0 BDADRP CC1(C[NH+]2CC3(C2)CCC[NH2+]C3)CC[NH2+]CC1 ZINC001222335375 972439735 /nfs/dbraw/zinc/43/97/35/972439735.db2.gz JNTXYBRIKDJFET-UHFFFAOYSA-N 3 0 237.391 1.062 20 0 BDADRP C([C@@H]1CCCC[NH2+]1)N1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222344681 972440622 /nfs/dbraw/zinc/44/06/22/972440622.db2.gz CDJAKKDLALRDKH-KBPBESRZSA-N 2 0 237.391 1.347 20 0 BDADRP [NH3+][C@H]1CC[C@H](CO[C@@H]2C[NH2+]CCC[C@@H]2F)CC1 ZINC001217773634 959585824 /nfs/dbraw/zinc/58/58/24/959585824.db2.gz JSRKTTFQJKXZTL-ZDEQEGDKSA-N 2 0 244.354 1.611 20 0 BDADRP C[C@@H]1CC[C@@H](OCC[C@@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001217913543 959745302 /nfs/dbraw/zinc/74/53/02/959745302.db2.gz SSUTXCHNPGQPHW-FRRDWIJNSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]1CC[C@H](OCCCC2CC[NH2+]CC2)C[NH2+]1 ZINC001217911277 959745332 /nfs/dbraw/zinc/74/53/32/959745332.db2.gz KZJOVNFFLLZCCM-OCCSQVGLSA-N 2 0 240.391 1.923 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@H](O)CC2CCCC2)C1 ZINC000300032673 959827692 /nfs/dbraw/zinc/82/76/92/959827692.db2.gz SZVOCQACKZHWRI-UONOGXRCSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@@]1([NH3+])CC[N@@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246533144 972460622 /nfs/dbraw/zinc/46/06/22/972460622.db2.gz CARKSWYVQJLNEN-QWHCGFSZSA-N 3 0 237.391 1.332 20 0 BDADRP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CCC[C@]1(C)O ZINC001207436523 960089647 /nfs/dbraw/zinc/08/96/47/960089647.db2.gz MMBYHJHGQOUPOA-OCCSQVGLSA-N 2 0 240.391 1.469 20 0 BDADRP c1cc2c(c(O[C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)c1)C[NH2+]C2 ZINC001218479764 960120928 /nfs/dbraw/zinc/12/09/28/960120928.db2.gz RSSIRKFWVZQAPJ-ZKYQVNSYSA-N 2 0 230.311 1.562 20 0 BDADRP O[C@H](C[NH2+][C@@H]1CCC[C@H](F)C1)C[NH+]1CCCC1 ZINC001353363582 960284921 /nfs/dbraw/zinc/28/49/21/960284921.db2.gz HYWPQFBWXWQVCR-YNEHKIRRSA-N 2 0 244.354 1.313 20 0 BDADRP CC[C@@H]([NH3+])CN1CCC2(CCC[NH2+]C2)CC1 ZINC001222453353 972494417 /nfs/dbraw/zinc/49/44/17/972494417.db2.gz YKYVGVJZGFWBHH-GFCCVEGCSA-N 2 0 225.380 1.189 20 0 BDADRP CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)[NH2+]C(C)C ZINC001267827503 960410190 /nfs/dbraw/zinc/41/01/90/960410190.db2.gz KIWWMDGJRBGHGG-NEPJUHHUSA-N 2 0 243.395 1.219 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCOc2ccccc2)CC[NH2+]1 ZINC000709290211 960477538 /nfs/dbraw/zinc/47/75/38/960477538.db2.gz MFOMWJKNQZUFJN-STQMWFEESA-N 2 0 234.343 1.796 20 0 BDADRP C([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CSC1 ZINC000709413423 960584080 /nfs/dbraw/zinc/58/40/80/960584080.db2.gz DUAFUKYEDITVAP-ZACCUICWSA-N 2 0 212.362 1.222 20 0 BDADRP O[C@@H]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000709487954 960619383 /nfs/dbraw/zinc/61/93/83/960619383.db2.gz MPMXUXQBLZAISE-GVWAJWJKSA-N 2 0 224.348 1.020 20 0 BDADRP C[C@H]1C[C@@H]([N@H+](CCO)Cc2ccccc2)CC[NH2+]1 ZINC000709478732 960623059 /nfs/dbraw/zinc/62/30/59/960623059.db2.gz ADVRMIHSSBGIKA-ZFWWWQNUSA-N 2 0 248.370 1.621 20 0 BDADRP C([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCOC1 ZINC000709487945 960623142 /nfs/dbraw/zinc/62/31/42/960623142.db2.gz MMHUUESPUONKLQ-ACJTYDJDSA-N 2 0 224.348 1.286 20 0 BDADRP CC(C)(C)[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709500105 960625201 /nfs/dbraw/zinc/62/52/01/960625201.db2.gz APHFYNVGBOOFHD-MBYGNEARSA-N 2 0 226.364 1.266 20 0 BDADRP Cc1ncc(C[NH+]2CCC(F)(C[NH3+])CC2)cn1 ZINC001222533446 960684412 /nfs/dbraw/zinc/68/44/12/960684412.db2.gz ZJRMJCGQSZTKLO-UHFFFAOYSA-N 2 0 238.310 1.048 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC[NH2+]1 ZINC000925701056 960689812 /nfs/dbraw/zinc/68/98/12/960689812.db2.gz UZTRVTUIQFFXNL-FDYHWXHSSA-N 2 0 239.407 1.623 20 0 BDADRP CC[NH+]1CCC(OC2CC[NH+](C)CC2)CC1 ZINC001222503586 972526900 /nfs/dbraw/zinc/52/69/00/972526900.db2.gz BBJNVRGBSIZBAV-UHFFFAOYSA-N 2 0 226.364 1.582 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+](Cc1cnco1)CC2 ZINC001140933740 960709586 /nfs/dbraw/zinc/70/95/86/960709586.db2.gz HAJILGSMJXJQGN-UHFFFAOYSA-N 2 0 221.304 1.202 20 0 BDADRP C[NH+](C)[C@@H]1CC[C@@H](OC2CC[NH+](C)CC2)CC1 ZINC001222503928 972528148 /nfs/dbraw/zinc/52/81/48/972528148.db2.gz KJLKMDYRMZFWII-JOCQHMNTSA-N 2 0 240.391 1.970 20 0 BDADRP C[NH+]1CCC(OC2CC[NH+](C3CC3)CC2)CC1 ZINC001222503714 972530570 /nfs/dbraw/zinc/53/05/70/972530570.db2.gz FLDIVQCEHFNPRP-UHFFFAOYSA-N 2 0 238.375 1.724 20 0 BDADRP C[NH+]1CCC(C[NH2+]C[C@H]2CCC[C@H](O)C2)CC1 ZINC000227612410 960771284 /nfs/dbraw/zinc/77/12/84/960771284.db2.gz ROHWITTWBLZJMX-KBPBESRZSA-N 2 0 240.391 1.469 20 0 BDADRP c1[nH]nc2c1[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)CCC2 ZINC000423487680 960882087 /nfs/dbraw/zinc/88/20/87/960882087.db2.gz UNXHTFODMZRDPS-AAEUAGOBSA-N 2 0 248.374 1.909 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](N[C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000399037714 961063621 /nfs/dbraw/zinc/06/36/21/961063621.db2.gz OXZCZHLZYHMZTH-JHJVBQTASA-N 2 0 225.380 1.199 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](C)C1COC1 ZINC001167824261 961137360 /nfs/dbraw/zinc/13/73/60/961137360.db2.gz CYMHYDCSCHOINA-GFCCVEGCSA-N 2 0 228.380 1.828 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001167838693 961225094 /nfs/dbraw/zinc/22/50/94/961225094.db2.gz WANQSQSABXGTAF-MELADBBJSA-N 2 0 240.391 1.970 20 0 BDADRP Cc1ccc(N)cc1NC(=[NH2+])NCCCC[NH3+] ZINC001167879539 961447876 /nfs/dbraw/zinc/44/78/76/961447876.db2.gz XARBVUYRESARDP-UHFFFAOYSA-N 2 0 235.335 1.252 20 0 BDADRP CCc1cccnc1NC(=[NH2+])NCCCC[NH3+] ZINC001167879088 961451542 /nfs/dbraw/zinc/45/15/42/961451542.db2.gz YEHBDUYDKAZMEJ-UHFFFAOYSA-N 2 0 235.335 1.319 20 0 BDADRP [NH2+]=C(NCCCC[NH3+])Nc1ccc2c(c1)C=CC2 ZINC001167881870 961465201 /nfs/dbraw/zinc/46/52/01/961465201.db2.gz KWZRNINNDKBBDX-UHFFFAOYSA-N 2 0 244.342 1.931 20 0 BDADRP CC[NH+](CC)CCN(CC[NH3+])[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167902038 961645322 /nfs/dbraw/zinc/64/53/22/961645322.db2.gz AQIQRDOHINAEJB-BTTYYORXSA-N 2 0 239.407 1.387 20 0 BDADRP [NH2+]=C(Nc1ccc2c(c1)NCC2)SCC[NH3+] ZINC001167916267 961864833 /nfs/dbraw/zinc/86/48/33/961864833.db2.gz QNQFREGDFMNZEH-UHFFFAOYSA-N 2 0 236.344 1.693 20 0 BDADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)C[NH2+]C(C)C ZINC001482162059 962186820 /nfs/dbraw/zinc/18/68/20/962186820.db2.gz PAAZTKITOPNLLS-LBPRGKRZSA-N 2 0 243.395 1.079 20 0 BDADRP Nc1ccccc1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206641025 962274237 /nfs/dbraw/zinc/27/42/37/962274237.db2.gz RGAFLSTZWZLCBC-GFCCVEGCSA-N 2 0 233.359 1.830 20 0 BDADRP CC[NH+]1C[C@@H]2C[NH+]([C@H]3C[C@H]4C[C@H]4C3)C[C@H]2C1 ZINC001167947631 962562056 /nfs/dbraw/zinc/56/20/56/962562056.db2.gz CLJIDUJPFPMJKL-ITGHMWBKSA-N 2 0 220.360 1.668 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@H](CF)C2)CC[NH2+]1 ZINC000711468331 962714555 /nfs/dbraw/zinc/71/45/55/962714555.db2.gz WQPWNOWGMPMLDQ-IJLUTSLNSA-N 2 0 214.328 1.808 20 0 BDADRP [NH3+][C@H]1CCC[C@H](Nc2ccc3c(n2)CC[NH2+]C3)C1 ZINC001154974619 962929144 /nfs/dbraw/zinc/92/91/44/962929144.db2.gz FHGVFQSRCIYQPV-RYUDHWBXSA-N 2 0 246.358 1.409 20 0 BDADRP Cc1[nH+]c(NC[C@@H]2C[C@H](F)C[NH2+]2)cc2[nH]ccc21 ZINC001155038296 962947158 /nfs/dbraw/zinc/94/71/58/962947158.db2.gz OGZQPFJPVLWMJH-UWVGGRQHSA-N 2 0 248.305 1.983 20 0 BDADRP Cc1c[nH+]c(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)cc1C ZINC001155484062 963084179 /nfs/dbraw/zinc/08/41/79/963084179.db2.gz BMGRBRZINOODCI-JHJVBQTASA-N 2 0 247.342 1.345 20 0 BDADRP Cn1c(Cl)ncc1C[NH2+]CCCC[NH+](C)C ZINC000696488622 963143206 /nfs/dbraw/zinc/14/32/06/963143206.db2.gz QSYCFIASHKWKBU-UHFFFAOYSA-N 2 0 244.770 1.505 20 0 BDADRP C[C@@H](C[NH+](C)C)NC(=O)c1cccc2c[nH+]cn21 ZINC001155801680 963173411 /nfs/dbraw/zinc/17/34/11/963173411.db2.gz UVOLLEOETWLBBE-JTQLQIEISA-N 2 0 246.314 1.014 20 0 BDADRP Cn1ccc2c1cc[nH+]c2N1CC[C@@H]([NH3+])C1 ZINC001156228587 963285395 /nfs/dbraw/zinc/28/53/95/963285395.db2.gz HWYKOSSYHHDZNQ-SECBINFHSA-N 2 0 216.288 1.111 20 0 BDADRP [NH2+]=C(NCCCC[NH3+])Nc1cc(C2CC2)ccn1 ZINC001157097420 963532577 /nfs/dbraw/zinc/53/25/77/963532577.db2.gz WECVVDGJESTBCC-UHFFFAOYSA-N 2 0 247.346 1.634 20 0 BDADRP C[C@@H](C[NH+](C)C)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000714003608 963574371 /nfs/dbraw/zinc/57/43/71/963574371.db2.gz WKQZYDKUPPMYIT-FUDCBSFHSA-N 2 0 239.407 1.541 20 0 BDADRP C[C@@H]1[C@@H]([NH3+])CCCN1c1[nH+]ccc2c1ccn2C ZINC001157731277 963711401 /nfs/dbraw/zinc/71/14/01/963711401.db2.gz ASNLWIFUIYPYBD-PWSUYJOCSA-N 2 0 244.342 1.889 20 0 BDADRP C[C@@H]1CCCCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001157781704 963725652 /nfs/dbraw/zinc/72/56/52/963725652.db2.gz UDPVJKJDBBTLSH-NEPJUHHUSA-N 2 0 241.379 1.091 20 0 BDADRP [NH3+]C[C@]1(F)CCN(c2[nH+]ccc3[nH]ccc32)C1 ZINC001157808453 963731933 /nfs/dbraw/zinc/73/19/33/963731933.db2.gz HQSQCRWMLIHEAH-GFCCVEGCSA-N 2 0 234.278 1.440 20 0 BDADRP Cn1ccc2c1cc[nH+]c2N1CC[C@](F)(C[NH3+])C1 ZINC001157812998 963734242 /nfs/dbraw/zinc/73/42/42/963734242.db2.gz NTGVLIHLGNRGRE-ZDUSSCGKSA-N 2 0 248.305 1.450 20 0 BDADRP Cc1nc(N2C[C@H](C)[NH2+][C@@H](C)C2)cc(N(C)C)[nH+]1 ZINC001158173029 963817909 /nfs/dbraw/zinc/81/79/09/963817909.db2.gz NKWANEVRKWNGBJ-UWVGGRQHSA-N 2 0 249.362 1.038 20 0 BDADRP CCN(c1cc(N)c(C)c[nH+]1)[C@@H]1CCC[NH2+]C1 ZINC001158205421 963831134 /nfs/dbraw/zinc/83/11/34/963831134.db2.gz QSSQSLILCAELGE-LLVKDONJSA-N 2 0 234.347 1.551 20 0 BDADRP CN(C)c1cccc(N2CCC[C@@](C)(C[NH3+])C2)[nH+]1 ZINC001158675324 963900618 /nfs/dbraw/zinc/90/06/18/963900618.db2.gz LJVBMYCIMVSYRX-AWEZNQCLSA-N 2 0 248.374 1.713 20 0 BDADRP C[NH+](C)CCC(C)(C)Nc1cc(N)cc[nH+]1 ZINC001158753811 963914080 /nfs/dbraw/zinc/91/40/80/963914080.db2.gz JMTDOTRDQFRAEA-UHFFFAOYSA-N 2 0 222.336 1.806 20 0 BDADRP [NH3+]Cc1ccn(-c2cc(-n3ccnc3)cc[nH+]2)c1 ZINC001158767626 963921298 /nfs/dbraw/zinc/92/12/98/963921298.db2.gz WEACZGPAISQHCJ-UHFFFAOYSA-N 2 0 239.282 1.517 20 0 BDADRP Nc1cccc(NCC23CC[NH+](CC2)CC3)[nH+]1 ZINC001158824607 963935783 /nfs/dbraw/zinc/93/57/83/963935783.db2.gz RPEDSFYJZNOZQO-UHFFFAOYSA-N 2 0 232.331 1.562 20 0 BDADRP CC1CCC([NH2+]CCOCC[NH3+])CC1 ZINC001168201390 963966459 /nfs/dbraw/zinc/96/64/59/963966459.db2.gz SXXABHRJCYDTRT-UHFFFAOYSA-N 2 0 200.326 1.130 20 0 BDADRP CN(C)c1cccc(N2CC3(C2)CCC[NH2+]C3)[nH+]1 ZINC001159019547 963972227 /nfs/dbraw/zinc/97/22/27/963972227.db2.gz LCIFRPKQRQCUGT-UHFFFAOYSA-N 2 0 246.358 1.337 20 0 BDADRP Cc1cnc(N(C)C(C)(C)C[NH3+])c(C[NH3+])c1 ZINC001159055226 963990250 /nfs/dbraw/zinc/99/02/50/963990250.db2.gz IPMAZQUFGXBDCY-UHFFFAOYSA-N 2 0 222.336 1.022 20 0 BDADRP C[NH+]1CC(CNc2cc3[nH]ccc3c[nH+]2)C1 ZINC001159216450 964019056 /nfs/dbraw/zinc/01/90/56/964019056.db2.gz XEIUEWFLPNVWDV-UHFFFAOYSA-N 2 0 216.288 1.536 20 0 BDADRP c1cc(NC2=C[NH2+]CCC2)c2c([nH+]1)CCC2 ZINC001159227822 964025589 /nfs/dbraw/zinc/02/55/89/964025589.db2.gz OAJYDFSUBVPLCQ-UHFFFAOYSA-N 2 0 215.300 1.629 20 0 BDADRP c1c(N=C2CC[NH2+]C2)onc1[C@H]1CCCC[NH2+]1 ZINC001159312470 964056685 /nfs/dbraw/zinc/05/66/85/964056685.db2.gz BZUWLZCHCHPSMT-SNVBAGLBSA-N 2 0 234.303 1.388 20 0 BDADRP C[C@H](Nc1cc2[nH]ccc2c[nH+]1)[C@@H]1C[NH2+]CCO1 ZINC001159488284 964110474 /nfs/dbraw/zinc/11/04/74/964110474.db2.gz BONGVLZUEYKGPL-CABZTGNLSA-N 2 0 246.314 1.352 20 0 BDADRP Cc1c[nH+]c(N[C@@H](C)[C@H]2C[NH2+]CCO2)cc1C ZINC001159503202 964117987 /nfs/dbraw/zinc/11/79/87/964117987.db2.gz UWPZAVPVXHMPBN-NWDGAFQWSA-N 2 0 235.331 1.487 20 0 BDADRP C[C@@H]([NH3+])CCNc1cc2[nH]ccc2c[nH+]1 ZINC001159774846 964188086 /nfs/dbraw/zinc/18/80/86/964188086.db2.gz VLHRYBQTCFQWRK-MRVPVSSYSA-N 2 0 204.277 1.712 20 0 BDADRP COc1cc(Cl)cnc1N[C@@H]([NH3+])CCC[NH3+] ZINC001159779962 964195082 /nfs/dbraw/zinc/19/50/82/964195082.db2.gz MIHZZKQVTMTSSG-SECBINFHSA-N 2 0 244.726 1.179 20 0 BDADRP CC(C)c1ccc(N[C@H]([NH3+])CCC[NH3+])nc1 ZINC001159783046 964195113 /nfs/dbraw/zinc/19/51/13/964195113.db2.gz AQYAIKOHPYQKKE-NSHDSACASA-N 2 0 222.336 1.641 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc2cc(F)ccc2n1 ZINC001159784898 964196056 /nfs/dbraw/zinc/19/60/56/964196056.db2.gz LWSUUQOGKVXRTD-LBPRGKRZSA-N 2 0 248.305 1.810 20 0 BDADRP CCc1cc(Cl)nc(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001159789581 964199229 /nfs/dbraw/zinc/19/92/29/964199229.db2.gz VULNCIDYXCGBFW-SECBINFHSA-N 2 0 243.742 1.128 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ncc2cc(F)ccc2n1 ZINC001159787224 964199858 /nfs/dbraw/zinc/19/98/58/964199858.db2.gz UCQTWGVRJAXAAA-LLVKDONJSA-N 2 0 249.293 1.205 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1cc(C2CCC2)ncn1 ZINC001159787867 964202382 /nfs/dbraw/zinc/20/23/82/964202382.db2.gz CJPFLHJNPMGYQR-LLVKDONJSA-N 2 0 235.335 1.180 20 0 BDADRP Cc1cc2ccccc2c(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001159787423 964202963 /nfs/dbraw/zinc/20/29/63/964202963.db2.gz WXJMSXARMIZWKB-ZDUSSCGKSA-N 2 0 244.342 1.979 20 0 BDADRP c1cc2c(cc1NC1=CCC[NH2+]C1)C[NH2+]CCO2 ZINC001159791056 964204618 /nfs/dbraw/zinc/20/46/18/964204618.db2.gz ICBCYKHJFFZNQE-UHFFFAOYSA-N 2 0 245.326 1.458 20 0 BDADRP CC(C)[NH+]1CC(Nc2ccc([C@H](C)[NH3+])nc2)C1 ZINC001168317474 964430042 /nfs/dbraw/zinc/43/00/42/964430042.db2.gz NHZLYQKFQXFYGL-JTQLQIEISA-N 2 0 234.347 1.606 20 0 BDADRP CN1CC[NH+](C2CCC([NH+](C)C)CC2)CC1 ZINC001168315942 964436375 /nfs/dbraw/zinc/43/63/75/964436375.db2.gz RUUWJQMAGBGRNO-UHFFFAOYSA-N 2 0 225.380 1.107 20 0 BDADRP CC[C@H]1COCC[N@@H+]1C1CCC([NH+](C)C)CC1 ZINC001168326695 964457147 /nfs/dbraw/zinc/45/71/47/964457147.db2.gz DMQHLBAWRLNGFG-HSBZDZAISA-N 2 0 240.391 1.970 20 0 BDADRP C[NH+](C)C1CCC(N2CC[N@@H+]3CC[C@@H]3C2)CC1 ZINC001168328653 964460138 /nfs/dbraw/zinc/46/01/38/964460138.db2.gz AVIAYXDLZFVQGW-JXQTWKCFSA-N 2 0 237.391 1.249 20 0 BDADRP C[NH+](C)C1CCC([N@H+](C)Cc2cncnc2)CC1 ZINC001168328871 964461062 /nfs/dbraw/zinc/46/10/62/964461062.db2.gz DFIMNBVOKJRRDX-UHFFFAOYSA-N 2 0 248.374 1.781 20 0 BDADRP [NH3+]CCc1cnn(C2CC[NH+](CC3CC3)CC2)c1 ZINC001168358955 964542631 /nfs/dbraw/zinc/54/26/31/964542631.db2.gz ZNKMCCHSIBUWEG-UHFFFAOYSA-N 2 0 248.374 1.431 20 0 BDADRP C[C@@H](CC[NH2+]C1CCOCC1)[NH+](C)C ZINC000697869449 964593718 /nfs/dbraw/zinc/59/37/18/964593718.db2.gz HGWNSBVCHQPZBT-JTQLQIEISA-N 2 0 200.326 1.095 20 0 BDADRP C[NH+](C)CCNc1ccc([C@H]2CCC[NH2+]2)cn1 ZINC001161666313 964674231 /nfs/dbraw/zinc/67/42/31/964674231.db2.gz KKWUSAFHTNUGLH-GFCCVEGCSA-N 2 0 234.347 1.480 20 0 BDADRP C[NH+](C)CCCCNc1cnc2c(c1)C[NH2+]CC2 ZINC001161731037 964720519 /nfs/dbraw/zinc/72/05/19/964720519.db2.gz XUNNXICLIKVXQJ-UHFFFAOYSA-N 2 0 248.374 1.481 20 0 BDADRP COC[C@@H](C)[N@H+](C)CCCCCC[NH3+] ZINC000042519569 964816215 /nfs/dbraw/zinc/81/62/15/964816215.db2.gz WICKTHKIJAJWPU-LLVKDONJSA-N 2 0 202.342 1.472 20 0 BDADRP C=Cc1ccc(NCCC[NH2+]CCCC[NH3+])nc1 ZINC001162293405 964913906 /nfs/dbraw/zinc/91/39/06/964913906.db2.gz ZEULODZAQGAICB-UHFFFAOYSA-N 2 0 248.374 1.855 20 0 BDADRP C[C@@]1([NH3+])C[C@H](Nc2[nH+]ccc3[nH]ccc32)C1 ZINC001162325368 964932309 /nfs/dbraw/zinc/93/23/09/964932309.db2.gz WWAFADAUOGLOCJ-LYWQIFSTSA-N 2 0 216.288 1.855 20 0 BDADRP Cc1c(N)cc[nH+]c1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001162393018 964952055 /nfs/dbraw/zinc/95/20/55/964952055.db2.gz SMOXWKJEZHMUTP-VHSXEESVSA-N 2 0 220.320 1.654 20 0 BDADRP [NH3+]Cc1cccc(N[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC001162405307 964964807 /nfs/dbraw/zinc/96/48/07/964964807.db2.gz UGFGZZGVDAJMAP-UWVGGRQHSA-N 2 0 220.320 1.222 20 0 BDADRP C[C@H]1C[NH2+]CCC[C@H]1CNc1cc(C[NH3+])ccn1 ZINC001162452941 964984998 /nfs/dbraw/zinc/98/49/98/964984998.db2.gz HKJJMBCSMDCCLS-AAEUAGOBSA-N 2 0 248.374 1.588 20 0 BDADRP [NH3+]Cc1cccc(NC[C@@H]2C[C@H](F)C[NH2+]2)c1 ZINC001162477049 964989110 /nfs/dbraw/zinc/98/91/10/964989110.db2.gz CAIJWMXPJXWKQL-JQWIXIFHSA-N 2 0 223.295 1.257 20 0 BDADRP [NH3+]C1(c2ccc(NC[C@@H]3C[C@H](F)C[NH2+]3)cc2)CC1 ZINC001162477361 964991933 /nfs/dbraw/zinc/99/19/33/964991933.db2.gz IGYCCFUIFOOHOX-AAEUAGOBSA-N 2 0 249.333 1.746 20 0 BDADRP C1=C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000698220993 965115097 /nfs/dbraw/zinc/11/50/97/965115097.db2.gz OCBIJQQTPYPDKH-FVCCEPFGSA-N 2 0 206.333 1.683 20 0 BDADRP Cc1c2[nH+]c[nH]c2ccc1N[C@@H]1COC[C@@H]1[NH3+] ZINC001162920802 965208876 /nfs/dbraw/zinc/20/88/76/965208876.db2.gz DFFPRNIVWRGCPR-GZMMTYOYSA-N 2 0 232.287 1.009 20 0 BDADRP C[NH2+]CCN(C)c1cc2[nH]ccc2c[nH+]1 ZINC001163719007 965532900 /nfs/dbraw/zinc/53/29/00/965532900.db2.gz IYIWHSXMZLGZDY-UHFFFAOYSA-N 2 0 204.277 1.219 20 0 BDADRP [NH3+][C@@H]1CCC[N@H+](CCCn2cccn2)CC1 ZINC001205093666 965716314 /nfs/dbraw/zinc/71/63/14/965716314.db2.gz DMBDENDLCWLJFB-GFCCVEGCSA-N 2 0 222.336 1.086 20 0 BDADRP C[NH+]1CCC(C)(C[N@@H+]2CCC[C@@H]([NH3+])CC2)CC1 ZINC001205094369 965726293 /nfs/dbraw/zinc/72/62/93/965726293.db2.gz LRAKXPGZTZLQAT-CYBMUJFWSA-N 3 0 239.407 1.532 20 0 BDADRP [NH3+][C@@H]1CCC[N@H+](C[C@H]2CCC=CO2)CC1 ZINC001205094790 965728291 /nfs/dbraw/zinc/72/82/91/965728291.db2.gz PMNOEZXTJFWUDS-VXGBXAGGSA-N 2 0 210.321 1.492 20 0 BDADRP CC(C)N(CCC[NH3+])c1cc(N)c(F)c[nH+]1 ZINC001164121812 965741767 /nfs/dbraw/zinc/74/17/67/965741767.db2.gz XYQIPUUOHYWWOE-UHFFFAOYSA-N 2 0 226.299 1.367 20 0 BDADRP COC[C@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000699213051 965816259 /nfs/dbraw/zinc/81/62/59/965816259.db2.gz YEWVWWWQHYAZGD-FUDCBSFHSA-N 2 0 238.375 1.485 20 0 BDADRP Cc1ccc(N2CC[C@H]([NH3+])C2)c(C[NH+](C)C)c1 ZINC001164289192 965830897 /nfs/dbraw/zinc/83/08/97/965830897.db2.gz VTVNTXIIGGBIKN-ZDUSSCGKSA-N 2 0 233.359 1.594 20 0 BDADRP C[N@@H+]1CC[C@H](c2ccc(N3CC[C@@H]([NH3+])C3)cc2)C1 ZINC001164288276 965831970 /nfs/dbraw/zinc/83/19/70/965831970.db2.gz NFWSPTYRUZJLFK-UONOGXRCSA-N 2 0 245.370 1.643 20 0 BDADRP [NH3+][C@H]1CCC[N@H+](Cc2cccc3c2CCO3)CC1 ZINC001205117804 965870276 /nfs/dbraw/zinc/87/02/76/965870276.db2.gz VUCQUUWADRUHEP-ZDUSSCGKSA-N 2 0 246.354 1.935 20 0 BDADRP Nc1cccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205117740 965870495 /nfs/dbraw/zinc/87/04/95/965870495.db2.gz UDVMHCSXGWPXCV-LBPRGKRZSA-N 2 0 219.332 1.582 20 0 BDADRP C[C@@H]1CC[C@H](C[NH3+])CN1c1cccc(N(C)C)[nH+]1 ZINC001164460266 965890927 /nfs/dbraw/zinc/89/09/27/965890927.db2.gz AXSHSTOXMTWXSM-VXGBXAGGSA-N 2 0 248.374 1.711 20 0 BDADRP CC[C@@H]1COC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000699500006 965921140 /nfs/dbraw/zinc/92/11/40/965921140.db2.gz ZOPDAKVBMZWGOL-RQJABVFESA-N 2 0 238.375 1.628 20 0 BDADRP CC[C@@H]1COC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000699497614 965921416 /nfs/dbraw/zinc/92/14/16/965921416.db2.gz WQSFCZRYPLKNAX-SCRDCRAPSA-N 2 0 238.375 1.485 20 0 BDADRP C[C@H]1CN(C[C@@H]([NH3+])c2ccccc2)C[C@H]1C[NH3+] ZINC001205131408 965938893 /nfs/dbraw/zinc/93/88/93/965938893.db2.gz XXVKEQNMTJCPQJ-IACUBPJLSA-N 2 0 233.359 1.213 20 0 BDADRP CC[C@@H]1COC[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000699538888 965953252 /nfs/dbraw/zinc/95/32/52/965953252.db2.gz DLMLZICSDNKKMO-KGLIPLIRSA-N 2 0 240.391 1.877 20 0 BDADRP Cc1cc(C)[nH+]c(N2C[C@@H]3C[NH+](C)C[C@H]3C2)c1 ZINC001165144193 965973293 /nfs/dbraw/zinc/97/32/93/965973293.db2.gz HHUIDUGODMEDLO-STQMWFEESA-N 2 0 231.343 1.696 20 0 BDADRP Cc1cc2[nH]ccc2c(N2CC[C@@H]3[NH2+]CC[C@H]32)[nH+]1 ZINC001165299988 966038515 /nfs/dbraw/zinc/03/85/15/966038515.db2.gz VZKXJUUHWRPJJQ-WCQYABFASA-N 2 0 242.326 1.812 20 0 BDADRP C[C@H]1C[N@H+](Cc2cccc3c2CCO3)C[C@H]1C[NH3+] ZINC001205145752 966047112 /nfs/dbraw/zinc/04/71/12/966047112.db2.gz FLBWOQYXDAYXBZ-WCQYABFASA-N 2 0 246.354 1.648 20 0 BDADRP C[C@H]1C[N@H+](Cc2cccc(C[NH3+])c2)C[C@H]1C[NH3+] ZINC001205151691 966064953 /nfs/dbraw/zinc/06/49/53/966064953.db2.gz YXFJUXINIGPDNE-SMDDNHRTSA-N 3 0 233.359 1.172 20 0 BDADRP c1cc2c(cc[nH+]c2N2CCC[C@H]3[NH2+]C[C@@H]32)[nH]1 ZINC001165388728 966084282 /nfs/dbraw/zinc/08/42/82/966084282.db2.gz ZOCZRKZEZNHIFK-NEPJUHHUSA-N 2 0 228.299 1.504 20 0 BDADRP Cc1cc2[nH]ccc2c(N2CCC[C@@H]3[NH2+]C[C@H]32)[nH+]1 ZINC001165390228 966084540 /nfs/dbraw/zinc/08/45/40/966084540.db2.gz DDZRSYLHYIGKGJ-WCQYABFASA-N 2 0 242.326 1.812 20 0 BDADRP Cc1cccc(Cl)c1CN(CC[NH3+])CC[NH3+] ZINC001235876731 966126221 /nfs/dbraw/zinc/12/62/21/966126221.db2.gz HXHQLKSECFZCJW-UHFFFAOYSA-N 2 0 241.766 1.368 20 0 BDADRP CC(C)C[C@H]1CN(CCCCCC[NH3+])CC[NH2+]1 ZINC001235878228 966124422 /nfs/dbraw/zinc/12/44/22/966124422.db2.gz ILPTYIMCLDMQFW-AWEZNQCLSA-N 2 0 241.423 1.825 20 0 BDADRP C[C@H]1CC[C@@H]([NH3+])CN1Cc1cccc(C[NH3+])c1 ZINC001235902413 966149004 /nfs/dbraw/zinc/14/90/04/966149004.db2.gz FRMAYKHHBGPSBW-SMDDNHRTSA-N 2 0 233.359 1.457 20 0 BDADRP C[NH+]1CCC(C[NH2+]CCC[C@H]2CCOC2)CC1 ZINC000400539351 966279169 /nfs/dbraw/zinc/27/91/69/966279169.db2.gz KCBFUXZOGZARSU-AWEZNQCLSA-N 2 0 240.391 1.735 20 0 BDADRP C([C@H]1CCCOC1)[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314683 966365969 /nfs/dbraw/zinc/36/59/69/966365969.db2.gz RZHLOBIDNWKBPB-MCIONIFRSA-N 2 0 238.375 1.344 20 0 BDADRP Cc1nccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)n1 ZINC001236314897 966366774 /nfs/dbraw/zinc/36/67/74/966366774.db2.gz INWWDFZSVMFCKE-BETUJISGSA-N 2 0 246.358 1.216 20 0 BDADRP CC[C@@H](C(=O)NCCC[NH2+]CC(C)C)[NH+](C)C ZINC001166852151 966430340 /nfs/dbraw/zinc/43/03/40/966430340.db2.gz MSIJPBCNOZGNGT-LBPRGKRZSA-N 2 0 243.395 1.079 20 0 BDADRP Cc1cccc(O[C@H]2CC[N@H+](CCCC[NH3+])C2)n1 ZINC001236665256 966499095 /nfs/dbraw/zinc/49/90/95/966499095.db2.gz SGFCACOAMVZVTM-ZDUSSCGKSA-N 2 0 249.358 1.582 20 0 BDADRP Nc1ccccc1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237415559 966658770 /nfs/dbraw/zinc/65/87/70/966658770.db2.gz QAWIEBKTJWYRNX-UKRRQHHQSA-N 2 0 245.370 1.843 20 0 BDADRP C[N@H+]1CC[C@H]2C[NH+](C[C@H]3CCCO3)C[C@H]2CC1 ZINC001276428852 966821890 /nfs/dbraw/zinc/82/18/90/966821890.db2.gz PSGRPTJHKRGIPZ-HZSPNIEDSA-N 2 0 238.375 1.439 20 0 BDADRP CC(C)O[C@@H]1CC[N@H+](CCCC[NH3+])C1 ZINC000701698711 966847341 /nfs/dbraw/zinc/84/73/41/966847341.db2.gz WXHPOKIKYBVHBB-LLVKDONJSA-N 2 0 200.326 1.225 20 0 BDADRP C[N@@H+]1CCC[C@H](CN2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000094449202 966891966 /nfs/dbraw/zinc/89/19/66/966891966.db2.gz JDYMJYYEKNBWBJ-UONOGXRCSA-N 2 0 237.391 1.108 20 0 BDADRP C[NH+](C)[C@H]1CCCC[C@@H]1Nc1cnc(C[NH3+])nc1 ZINC001168601617 966970959 /nfs/dbraw/zinc/97/09/59/966970959.db2.gz RADVPCFLIZYSIH-RYUDHWBXSA-N 2 0 249.362 1.220 20 0 BDADRP Cc1nc[nH]c1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC001204589840 967080864 /nfs/dbraw/zinc/08/08/64/967080864.db2.gz ZUVFGUCKELCEJR-UHFFFAOYSA-N 2 0 236.363 1.492 20 0 BDADRP Cc1nc[nH]c1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC001204589724 967082874 /nfs/dbraw/zinc/08/28/74/967082874.db2.gz WFOFTVLCIKXCCO-UHFFFAOYSA-N 2 0 236.363 1.492 20 0 BDADRP C[C@@H]1CC(=O)CC[N@@H+]1C1CCC([NH+](C)C)CC1 ZINC000715562357 967181359 /nfs/dbraw/zinc/18/13/59/967181359.db2.gz ONAQNWVHCMPDFU-PNESKVBLSA-N 2 0 238.375 1.913 20 0 BDADRP C[NH+](C)C1CCC([NH2+]CCN2CCCC2)CC1 ZINC000715578241 967187243 /nfs/dbraw/zinc/18/72/43/967187243.db2.gz DUIPRQCHPRZBHZ-UHFFFAOYSA-N 2 0 239.407 1.545 20 0 BDADRP Cc1nnc(C[NH2+]C2CCC([NH+](C)C)CC2)o1 ZINC000715573829 967188297 /nfs/dbraw/zinc/18/82/97/967188297.db2.gz QPPYSVPBWYXNJI-UHFFFAOYSA-N 2 0 238.335 1.340 20 0 BDADRP [NH3+]Cc1cccc(CN2CCCC[C@H]2C[NH3+])c1 ZINC001204932833 967242060 /nfs/dbraw/zinc/24/20/60/967242060.db2.gz NIOQJHNTILGHCC-AWEZNQCLSA-N 2 0 233.359 1.459 20 0 BDADRP CC1(CN2CCC[C@](C)([NH3+])C2)CC[NH2+]CC1 ZINC001204940085 967247656 /nfs/dbraw/zinc/24/76/56/967247656.db2.gz VJTRKYORMRLSID-ZDUSSCGKSA-N 2 0 225.380 1.189 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2c[nH]c3ccncc23)CC1 ZINC001205041180 967267363 /nfs/dbraw/zinc/26/73/63/967267363.db2.gz NTBNRNGWOVUAHS-UHFFFAOYSA-N 2 0 244.342 1.734 20 0 BDADRP C[NH2+]C[C@H]1CCCN(CC[C@H]2CCCC[NH2+]2)C1 ZINC001205000906 967284270 /nfs/dbraw/zinc/28/42/70/967284270.db2.gz MOIHWQXTDBFSLV-ZIAGYGMSSA-N 2 0 239.407 1.450 20 0 BDADRP CCOc1ccncc1C[NH+]1CCC(C[NH3+])CC1 ZINC001205041302 967304412 /nfs/dbraw/zinc/30/44/12/967304412.db2.gz RYQRVUOPDSTJHO-UHFFFAOYSA-N 2 0 249.358 1.651 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2ccc3nonc3c2)CC1 ZINC001205041567 967305212 /nfs/dbraw/zinc/30/52/12/967305212.db2.gz WZWWPMNVGDHURB-UHFFFAOYSA-N 2 0 246.314 1.394 20 0 BDADRP C[C@H]1CC[C@@H](C[NH3+])N1Cc1ccc2c(c1)NCC2 ZINC001205087387 967331444 /nfs/dbraw/zinc/33/14/44/967331444.db2.gz DNYQDNHRSGRIER-FZMZJTMJSA-N 2 0 245.370 1.966 20 0 BDADRP [NH3+][C@H]1CCC[N@H+](Cc2cccn3ccnc23)CC1 ZINC001205110633 967358025 /nfs/dbraw/zinc/35/80/25/967358025.db2.gz XJTHDIDIGBECNO-ZDUSSCGKSA-N 2 0 244.342 1.648 20 0 BDADRP Cc1c[nH]c(C[N@@H+]2CCC[C@H]([NH3+])CC2)c1C ZINC001205110635 967361627 /nfs/dbraw/zinc/36/16/27/967361627.db2.gz XKWUJBJOBWXYJV-LBPRGKRZSA-N 2 0 221.348 1.945 20 0 BDADRP C[C@H]1C[N@H+](Cc2cc(F)ccc2N)C[C@H]1C[NH3+] ZINC001205146646 967391765 /nfs/dbraw/zinc/39/17/65/967391765.db2.gz ZVTULGFPALXSCC-GXSJLCMTSA-N 2 0 237.322 1.435 20 0 BDADRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2cccs2)CC1 ZINC001205210647 967430991 /nfs/dbraw/zinc/43/09/91/967430991.db2.gz QFYOACZDZQALCJ-GFCCVEGCSA-N 2 0 240.372 1.424 20 0 BDADRP C[NH+](C)CCc1cccc(C[NH+](C)C)c1 ZINC001250158358 967449422 /nfs/dbraw/zinc/44/94/22/967449422.db2.gz ZCXUMXPNFNEUIX-UHFFFAOYSA-N 2 0 206.333 1.852 20 0 BDADRP CSCC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693757329 967449972 /nfs/dbraw/zinc/44/99/72/967449972.db2.gz INKHWSRYDLFBIO-OUAUKWLOSA-N 2 0 228.405 1.716 20 0 BDADRP C[C@H]1CC[N@H+](CC2(C)CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC001205296175 967498881 /nfs/dbraw/zinc/49/88/81/967498881.db2.gz IIFZAYAWHVMGAL-STQMWFEESA-N 3 0 239.407 1.293 20 0 BDADRP C[C@@H]1CC[NH2+]CCN1Cc1cccc(C[NH3+])c1 ZINC001205332284 967547110 /nfs/dbraw/zinc/54/71/10/967547110.db2.gz NOIQFZLNVBLCNN-GFCCVEGCSA-N 2 0 233.359 1.329 20 0 BDADRP CC(C)[NH2+]CC[C@H](C)NC(=O)CCC[NH+](C)C ZINC001272984603 967556195 /nfs/dbraw/zinc/55/61/95/967556195.db2.gz HJURFBOYDJJHSO-LBPRGKRZSA-N 2 0 243.395 1.221 20 0 BDADRP C[NH+](C)CCCCNc1cccc(C[NH3+])n1 ZINC001161730462 967620264 /nfs/dbraw/zinc/62/02/64/967620264.db2.gz DQFNJDLKIWTXCF-UHFFFAOYSA-N 2 0 222.336 1.294 20 0 BDADRP C[C@@H]1CC[N@H+](CCCC[NH3+])CC[C@]1(C)O ZINC001205539372 967681595 /nfs/dbraw/zinc/68/15/95/967681595.db2.gz XSSBCAWHLGCZKQ-NEPJUHHUSA-N 2 0 214.353 1.208 20 0 BDADRP Cn1cncc1-c1ccc(N2CC[NH2+]CC2)cc1 ZINC001205544058 967682394 /nfs/dbraw/zinc/68/23/94/967682394.db2.gz KNNYLUSGQYHWIV-UHFFFAOYSA-N 2 0 242.326 1.497 20 0 BDADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2ccon2)CC1 ZINC001205545581 967688713 /nfs/dbraw/zinc/68/87/13/967688713.db2.gz JPLJZUNUAZAVCT-LLVKDONJSA-N 2 0 227.283 1.328 20 0 BDADRP Cc1coc(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)n1 ZINC001205592040 967714059 /nfs/dbraw/zinc/71/40/59/967714059.db2.gz QPCSPINLCZOUJZ-GFCCVEGCSA-N 2 0 241.310 1.636 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@H]2CCCO2)CC[C@@H]1C[NH3+] ZINC001205601928 967718861 /nfs/dbraw/zinc/71/88/61/967718861.db2.gz GSUWZYXKGUURFP-JHJVBQTASA-N 2 0 226.364 1.472 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2CCCOC2)CC[C@H]1C[NH3+] ZINC001205600507 967719742 /nfs/dbraw/zinc/71/97/42/967719742.db2.gz CCMDDPBWFVYFIZ-RDBSUJKOSA-N 2 0 240.391 1.720 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2ccc(=O)[nH]c2)CC[C@@H]1C[NH3+] ZINC001205618705 967726121 /nfs/dbraw/zinc/72/61/21/967726121.db2.gz YHRLUDDCNXQTKF-DGCLKSJQSA-N 2 0 249.358 1.594 20 0 BDADRP Cc1c[nH]c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)n1 ZINC001205617857 967726409 /nfs/dbraw/zinc/72/64/09/967726409.db2.gz OOTAITULVKWNSE-ZYHUDNBSSA-N 2 0 236.363 1.525 20 0 BDADRP C[C@H]1CC[N@H+](Cc2ccc(=O)[nH]c2)CC[C@@H]1C[NH3+] ZINC001205618707 967728521 /nfs/dbraw/zinc/72/85/21/967728521.db2.gz YHRLUDDCNXQTKF-WCQYABFASA-N 2 0 249.358 1.594 20 0 BDADRP Cc1nccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)n1 ZINC001205618404 967728550 /nfs/dbraw/zinc/72/85/50/967728550.db2.gz VTDZUAHQULKGDM-WCQYABFASA-N 2 0 248.374 1.592 20 0 BDADRP Cc1nccnc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205629479 967735050 /nfs/dbraw/zinc/73/50/50/967735050.db2.gz ZEJLMBXHHIIAGH-AAEUAGOBSA-N 2 0 248.374 1.592 20 0 BDADRP Cc1coc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)n1 ZINC001205655204 967750788 /nfs/dbraw/zinc/75/07/88/967750788.db2.gz YZSHKVMIRKJLQL-ZYHUDNBSSA-N 2 0 237.347 1.790 20 0 BDADRP [NH3+]C[C@@]1(O)CCCC[N@H+](C[C@H]2CC=CCC2)C1 ZINC001205664577 967758557 /nfs/dbraw/zinc/75/85/57/967758557.db2.gz OIXWQCQORBCETC-KBPBESRZSA-N 2 0 238.375 1.518 20 0 BDADRP [NH3+]Cc1ccnc(N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC001162385567 967819893 /nfs/dbraw/zinc/81/98/93/967819893.db2.gz PSYGIMCYFPPFPS-GHMZBOCLSA-N 2 0 220.320 1.222 20 0 BDADRP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1CC1(C)CC[NH2+]CC1 ZINC001205903035 967879596 /nfs/dbraw/zinc/87/95/96/967879596.db2.gz NDRCOINVFWPWEK-STQMWFEESA-N 3 0 239.407 1.435 20 0 BDADRP CC/C=C\CCC[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205946456 967891435 /nfs/dbraw/zinc/89/14/35/967891435.db2.gz MMYUIUBAFQEAGA-OPVGQWETSA-N 2 0 212.337 1.127 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cncn2C)CCC[C@@H]1C[NH3+] ZINC001205994684 967946157 /nfs/dbraw/zinc/94/61/57/967946157.db2.gz LVGKXVKFPFFAFJ-VXGBXAGGSA-N 2 0 236.363 1.227 20 0 BDADRP C[C@@H]1C[N@H+](Cc2nccn2C)CCC[C@H]1C[NH3+] ZINC001205996735 967948691 /nfs/dbraw/zinc/94/86/91/967948691.db2.gz XZVSMFPHAPTWGE-NEPJUHHUSA-N 2 0 236.363 1.227 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccncc2N)CCC[C@H]1C[NH3+] ZINC001206003241 967956541 /nfs/dbraw/zinc/95/65/41/967956541.db2.gz FYNABMKKXFYRSY-RYUDHWBXSA-N 2 0 248.374 1.471 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cocn2)CCC[C@@H]1C[NH3+] ZINC001206004466 967958738 /nfs/dbraw/zinc/95/87/38/967958738.db2.gz SMXZPYVCLIJXRK-GHMZBOCLSA-N 2 0 223.320 1.481 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cccnc2N)CCC[C@@H]1C[NH3+] ZINC001206014772 967969478 /nfs/dbraw/zinc/96/94/78/967969478.db2.gz XZPRXOOLIOLXQM-VXGBXAGGSA-N 2 0 248.374 1.471 20 0 BDADRP Cc1ncc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)o1 ZINC001206028223 967979674 /nfs/dbraw/zinc/97/96/74/967979674.db2.gz XVFBDQRXUSTIEO-CMPLNLGQSA-N 2 0 237.347 1.790 20 0 BDADRP CCCCN(C)C[C@H](C)[NH2+][C@@H]1C[C@@H]2COC[C@H]12 ZINC001206084913 968054122 /nfs/dbraw/zinc/05/41/22/968054122.db2.gz QPRRFXNCQDGQNO-RFQIPJPRSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@H](c1ccncc1)[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693566200 968077472 /nfs/dbraw/zinc/07/74/72/968077472.db2.gz BTEBOMPMHNZKTJ-WZRBSPASSA-N 2 0 219.332 1.812 20 0 BDADRP CC[C@H](N)C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206292473 968201178 /nfs/dbraw/zinc/20/11/78/968201178.db2.gz BNOCSKNLORPQQW-NWDGAFQWSA-N 2 0 213.369 1.175 20 0 BDADRP CC[N@@H+]1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC001206302984 968210652 /nfs/dbraw/zinc/21/06/52/968210652.db2.gz WCNLJVRTKIXRIJ-GFCCVEGCSA-N 2 0 212.337 1.193 20 0 BDADRP C[NH+](C)/C=C/c1ccncc1N1CC[C@@H]([NH3+])C1 ZINC001164287002 968212471 /nfs/dbraw/zinc/21/24/71/968212471.db2.gz AEAUZIGFRACBNB-RPTYSRGTSA-N 2 0 232.331 1.151 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2ccc(=O)[nH]c2)CC1 ZINC001206304932 968214860 /nfs/dbraw/zinc/21/48/60/968214860.db2.gz RUCMOADYNWBMAW-AWEZNQCLSA-N 2 0 249.358 1.738 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2ccc(N)nc2)CC1 ZINC001206317233 968221720 /nfs/dbraw/zinc/22/17/20/968221720.db2.gz DENUWUUSESRASC-CQSZACIVSA-N 2 0 248.374 1.615 20 0 BDADRP Cc1c[nH+]c(-c2cnn(CC[NH+](C)C)c2)cc1N ZINC001206323398 968228839 /nfs/dbraw/zinc/22/88/39/968228839.db2.gz ALHKALRCCVIFLO-UHFFFAOYSA-N 2 0 245.330 1.397 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cnc(N)cn2)CC1 ZINC001206326812 968232477 /nfs/dbraw/zinc/23/24/77/968232477.db2.gz PGYLNFXLKVTQRP-CYBMUJFWSA-N 2 0 249.362 1.010 20 0 BDADRP [NH3+]C[C@]1(F)CCCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC001206337913 968245527 /nfs/dbraw/zinc/24/55/27/968245527.db2.gz WUNNTGWEKHYBAW-QWHCGFSZSA-N 2 0 243.370 1.139 20 0 BDADRP C[N@H+](CCCC[NH3+])Cc1cnc2ccccn12 ZINC001206397393 968277265 /nfs/dbraw/zinc/27/72/65/968277265.db2.gz VEFAZAJGVNMAPW-UHFFFAOYSA-N 2 0 232.331 1.505 20 0 BDADRP C[NH+]1CCC(C)(CN2C[C@H]([NH3+])C[C@@H](F)C2)CC1 ZINC001206406365 968281133 /nfs/dbraw/zinc/28/11/33/968281133.db2.gz XRHKMFCQDFSCSF-VXGBXAGGSA-N 2 0 243.370 1.089 20 0 BDADRP Cc1cc(C)c(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1C ZINC001206475400 968329394 /nfs/dbraw/zinc/32/93/94/968329394.db2.gz ODTONBIMZQDGBI-LSDHHAIUSA-N 2 0 248.370 1.363 20 0 BDADRP C[C@]1(C[NH3+])CCCCN(C[C@@H]2CCC[NH2+]2)C1 ZINC001206542119 968355324 /nfs/dbraw/zinc/35/53/24/968355324.db2.gz RTQBKTHBKJXWJS-QWHCGFSZSA-N 2 0 225.380 1.189 20 0 BDADRP [NH3+]C[C@H]1C[N@H+](Cc2cccc3occc32)C[C@@H]1O ZINC001206535316 968362984 /nfs/dbraw/zinc/36/29/84/968362984.db2.gz JLTRAZLFGLBSBT-AAEUAGOBSA-N 2 0 246.310 1.184 20 0 BDADRP CC[C@H]([NH3+])CN(C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206584199 968398348 /nfs/dbraw/zinc/39/83/48/968398348.db2.gz XMTYXWRTPILONL-QWHCGFSZSA-N 2 0 227.396 1.576 20 0 BDADRP [NH3+]C[C@@H]1CCCCN(C[C@@H]([NH3+])c2ccccc2)C1 ZINC001206606123 968415965 /nfs/dbraw/zinc/41/59/65/968415965.db2.gz DXNNMLBBUIAZNM-DZGCQCFKSA-N 2 0 247.386 1.747 20 0 BDADRP [NH3+]C[C@H]1CCCC[N@H+](Cc2cc[nH]c(=O)c2)C1 ZINC001206616068 968420248 /nfs/dbraw/zinc/42/02/48/968420248.db2.gz NHYJNVYDDBQZSB-GFCCVEGCSA-N 2 0 235.331 1.348 20 0 BDADRP [NH3+]C[C@@H]1CCCCN(Cc2ncccc2F)C1 ZINC001206616944 968420411 /nfs/dbraw/zinc/42/04/11/968420411.db2.gz UXMSPYXKLFTZNZ-NSHDSACASA-N 2 0 237.322 1.782 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH3+])CN1CC[C@H]1CCCC[NH2+]1 ZINC001206760339 968457397 /nfs/dbraw/zinc/45/73/97/968457397.db2.gz DSGYBSHFFGWNPW-HZSPNIEDSA-N 3 0 239.407 1.578 20 0 BDADRP CCCC[C@H](O)C[NH2+]CCC1CC[NH+](C)CC1 ZINC001252077726 968493979 /nfs/dbraw/zinc/49/39/79/968493979.db2.gz UXKIEZVFEWEFEM-AWEZNQCLSA-N 2 0 242.407 1.859 20 0 BDADRP CCCC[C@H](O)C[N@H+]1C[C@H]2[C@H](C1)CCCN2C ZINC001252098903 968581222 /nfs/dbraw/zinc/58/12/22/968581222.db2.gz XIJJPGJTDRXJOZ-IHRRRGAJSA-N 2 0 240.391 1.564 20 0 BDADRP CC[N@@H+]1CCN(CC(C)(C)C[NH+](C)C)C[C@H]1C ZINC001207283621 968715567 /nfs/dbraw/zinc/71/55/67/968715567.db2.gz BEDNJQPOMMXHRI-CYBMUJFWSA-N 2 0 241.423 1.600 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CC[C@@H](O)[C@@H](F)CC2)CC1 ZINC001207391955 968747838 /nfs/dbraw/zinc/74/78/38/968747838.db2.gz RPKRTYKEKUNYIB-QWHCGFSZSA-N 2 0 244.354 1.123 20 0 BDADRP C[NH+]1CCC(C[N@H+]2CCC(=O)[C@@H](F)CC2)CC1 ZINC001207392217 968751229 /nfs/dbraw/zinc/75/12/29/968751229.db2.gz WPCSEUNSBVNKRF-LBPRGKRZSA-N 2 0 242.338 1.331 20 0 BDADRP CCCO[C@H]1CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC001207398523 968751762 /nfs/dbraw/zinc/75/17/62/968751762.db2.gz XAVMABZEKCAPTN-AWEZNQCLSA-N 2 0 240.391 1.829 20 0 BDADRP CC[N@H+](CC1CC[NH+](C)CC1)C1CCOCC1 ZINC001207398434 968752784 /nfs/dbraw/zinc/75/27/84/968752784.db2.gz PCNXSUDWHWIVIH-UHFFFAOYSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@@H]1C[C@H](F)C[N@@H+]1CC1CC[NH2+]CC1 ZINC001207436544 968770284 /nfs/dbraw/zinc/77/02/84/968770284.db2.gz NNFDNBLDIDUYHT-KOLCDFICSA-N 2 0 200.301 1.418 20 0 BDADRP c1cc2n(c1)CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001207437152 968770337 /nfs/dbraw/zinc/77/03/37/968770337.db2.gz AXQHXUOAHVDBCA-UHFFFAOYSA-N 2 0 219.332 1.303 20 0 BDADRP C[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)CC[C@H]1O ZINC001207436540 968771073 /nfs/dbraw/zinc/77/10/73/968771073.db2.gz NKPGRTHOFDYJAK-DGCLKSJQSA-N 2 0 226.364 1.079 20 0 BDADRP F[C@H]1CSC2(C[NH+](CC3CC[NH2+]CC3)C2)C1 ZINC001207439092 968772911 /nfs/dbraw/zinc/77/29/11/968772911.db2.gz MHOQFHNAOUQHER-LLVKDONJSA-N 2 0 244.379 1.515 20 0 BDADRP C[N@@H+]1C[C@H]2CCCN(CC3CC[NH2+]CC3)[C@H]2C1 ZINC001207439100 968774975 /nfs/dbraw/zinc/77/49/75/968774975.db2.gz MPOTZLMRDGXPLB-KGLIPLIRSA-N 2 0 237.391 1.012 20 0 BDADRP CC[N@H+]1C[C@@H]2C[NH+](C[C@H]3CCCOC3)C[C@@H]2C1 ZINC001207468864 968787373 /nfs/dbraw/zinc/78/73/73/968787373.db2.gz JFWCIYGSHXDJPT-MCIONIFRSA-N 2 0 238.375 1.297 20 0 BDADRP C[C@@H]1[C@H](CO)CC[N@@H+]1CCC1CC[NH+](C)CC1 ZINC001207480101 968797987 /nfs/dbraw/zinc/79/79/87/968797987.db2.gz UHEHGSMUDNGFCI-OCCSQVGLSA-N 2 0 240.391 1.421 20 0 BDADRP CN1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CC[NH+](C)CC1 ZINC001207486857 968798015 /nfs/dbraw/zinc/79/80/15/968798015.db2.gz DTPPNCLWCUXTPU-KBPBESRZSA-N 2 0 237.391 1.107 20 0 BDADRP C[NH+]1CCC(CC[N@@H+]2CC[C@](F)(CO)C2)CC1 ZINC001207480007 968799567 /nfs/dbraw/zinc/79/95/67/968799567.db2.gz SORNXGWAHDRRAD-CYBMUJFWSA-N 2 0 244.354 1.125 20 0 BDADRP C[C@@H]1C[N@H+](CCC2CC[NH+](C)CC2)CCCO1 ZINC001207479991 968799662 /nfs/dbraw/zinc/79/96/62/968799662.db2.gz RMVJEEYBTHCQAY-CYBMUJFWSA-N 2 0 240.391 1.829 20 0 BDADRP C[N@H+](CCF)CCC1CC[NH+](C)CC1 ZINC001207488130 968803794 /nfs/dbraw/zinc/80/37/94/968803794.db2.gz FMQPUJDXXAERGJ-UHFFFAOYSA-N 2 0 202.317 1.620 20 0 BDADRP Nc1cccc(N[C@H]2CCC[C@H]([NH3+])C2)[nH+]1 ZINC001154973852 968825435 /nfs/dbraw/zinc/82/54/35/968825435.db2.gz AJXWXNJMEAISBR-IUCAKERBSA-N 2 0 206.293 1.346 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+](C[C@H]1CCCCO1)CC2 ZINC001207959473 968952502 /nfs/dbraw/zinc/95/25/02/968952502.db2.gz KOWQDWPDLXPLEW-CYBMUJFWSA-N 2 0 238.375 1.583 20 0 BDADRP C[NH+]1CCC(C)(C[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001208102999 968999641 /nfs/dbraw/zinc/99/96/41/968999641.db2.gz JJKWXZXFQZGLPA-UHFFFAOYSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@@H]1C[NH+](CC2(C)CC[NH+](C)CC2)C[C@@H](C)O1 ZINC001208105753 969001538 /nfs/dbraw/zinc/00/15/38/969001538.db2.gz ZZVCWVXVBWVLRD-CHWSQXEVSA-N 2 0 240.391 1.828 20 0 BDADRP COC[C@@H]1CCC[N@@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208108021 969001794 /nfs/dbraw/zinc/00/17/94/969001794.db2.gz NHAFFUUOHWDUCT-ZDUSSCGKSA-N 2 0 240.391 1.829 20 0 BDADRP C[NH+]1CCC(C)(C[N@@H+]2CC[C@](C)(CO)C2)CC1 ZINC001208108107 969002265 /nfs/dbraw/zinc/00/22/65/969002265.db2.gz QRFCBEPCPJEAIU-AWEZNQCLSA-N 2 0 240.391 1.423 20 0 BDADRP COC(=O)CC[N@H+](C)CC1(C)CC[NH+](C)CC1 ZINC001208111350 969006323 /nfs/dbraw/zinc/00/63/23/969006323.db2.gz KQRUDCRMXZDZNA-UHFFFAOYSA-N 2 0 242.363 1.213 20 0 BDADRP C[N@H+](CC1(C)CC[NH+](C)CC1)C1(C)COC1 ZINC001208113748 969006910 /nfs/dbraw/zinc/00/69/10/969006910.db2.gz NHNCAZDHLFEURX-UHFFFAOYSA-N 2 0 226.364 1.439 20 0 BDADRP C[NH+]1CCC(C)(C[N@@H+]2C[C@H]3CC[C@@H]2CO3)CC1 ZINC001208116628 969007162 /nfs/dbraw/zinc/00/71/62/969007162.db2.gz ZAHJRRBHFNYQTD-CHWSQXEVSA-N 2 0 238.375 1.582 20 0 BDADRP C[C@H]1C[C@H](O)CC[N@@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208113270 969008189 /nfs/dbraw/zinc/00/81/89/969008189.db2.gz FZDITONHESXWLT-QWHCGFSZSA-N 2 0 240.391 1.564 20 0 BDADRP CCOc1cc[nH+]c(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC001155585650 969014301 /nfs/dbraw/zinc/01/43/01/969014301.db2.gz FQCUHJHMAGUJPM-WXHSDQCUSA-N 2 0 247.342 1.890 20 0 BDADRP CC[NH+](CC)C[C@H](O)C[N@@H+]1C[C@@H](C)CC12CC2 ZINC001253194130 969108798 /nfs/dbraw/zinc/10/87/98/969108798.db2.gz JMCLDAHWNYUONE-STQMWFEESA-N 2 0 240.391 1.564 20 0 BDADRP COc1c(C)cnc(CN2CC(C)([NH3+])C2)c1C ZINC000089646870 969141802 /nfs/dbraw/zinc/14/18/02/969141802.db2.gz KXWRDQREPSEFSX-UHFFFAOYSA-N 2 0 235.331 1.240 20 0 BDADRP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCCC12CC2 ZINC001253385306 969144286 /nfs/dbraw/zinc/14/42/86/969144286.db2.gz YYFOMSDFPGWOTC-LLVKDONJSA-N 2 0 226.364 1.364 20 0 BDADRP Cc1cc[nH+]c(NC[C@H](O)C[NH2+]C(C)(C)C)c1 ZINC001253382419 969146816 /nfs/dbraw/zinc/14/68/16/969146816.db2.gz HNPQYRIHLOYBLO-NSHDSACASA-N 2 0 237.347 1.551 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2C[C@@H](F)C[C@H]2CO)CC1 ZINC001208593222 969148223 /nfs/dbraw/zinc/14/82/23/969148223.db2.gz QMRUSVGLXQFQLV-STQMWFEESA-N 2 0 244.354 1.123 20 0 BDADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]CC1CCC1 ZINC001253384498 969148395 /nfs/dbraw/zinc/14/83/95/969148395.db2.gz VVRPSOSFZWHNSV-NSHDSACASA-N 2 0 214.353 1.125 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@H]2C(C)=O)CC1 ZINC001208604727 969154686 /nfs/dbraw/zinc/15/46/86/969154686.db2.gz RYCUITJNZUMERX-AWEZNQCLSA-N 2 0 238.375 1.772 20 0 BDADRP C[C@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)C(C)(C)C ZINC001253403236 969156242 /nfs/dbraw/zinc/15/62/42/969156242.db2.gz AFVXKKNUJALZKF-QWRGUYRKSA-N 2 0 230.396 1.760 20 0 BDADRP CC[N@@H+]1C[C@@H]2C[C@H]1CN2C[C@H]1CCC[NH+](C)C1 ZINC001208612828 969169590 /nfs/dbraw/zinc/16/95/90/969169590.db2.gz DRRYXOXTOQFDMG-IHRRRGAJSA-N 2 0 237.391 1.107 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[C@@]3(CCO3)C2)C1 ZINC001208613440 969170055 /nfs/dbraw/zinc/17/00/55/969170055.db2.gz UENYJDBIZUMZBF-ZIAGYGMSSA-N 2 0 238.375 1.583 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[C@]3(CCO3)C2)C1 ZINC001208613438 969171305 /nfs/dbraw/zinc/17/13/05/969171305.db2.gz UENYJDBIZUMZBF-KGLIPLIRSA-N 2 0 238.375 1.583 20 0 BDADRP CC[NH+]1C[C@@H]2C[NH+](CCC3CC3)C[C@H]2C1 ZINC001208687131 969195490 /nfs/dbraw/zinc/19/54/90/969195490.db2.gz PVNQJDPDHCEOBC-CHWSQXEVSA-N 2 0 208.349 1.670 20 0 BDADRP Cc1cc(-n2cc3c(n2)CC[C@H]([NH3+])C3)cc(C)[nH+]1 ZINC001168819920 969235354 /nfs/dbraw/zinc/23/53/54/969235354.db2.gz HTQIOUIOMRWUHV-LBPRGKRZSA-N 2 0 242.326 1.700 20 0 BDADRP C[n+]1cccc(-n2cnc3ccc(C[NH3+])cc32)c1 ZINC001168845553 969244470 /nfs/dbraw/zinc/24/44/70/969244470.db2.gz AXUDCGTZTGFCHF-UHFFFAOYSA-N 2 0 239.302 1.309 20 0 BDADRP CC[C@H]1C[C@@H]([N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)CCO1 ZINC000723472271 969319708 /nfs/dbraw/zinc/31/97/08/969319708.db2.gz YHDAQAKEAQWODJ-NOOOWODRSA-N 2 0 212.337 1.223 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H]1C[C@@](C)(O)C1)C2 ZINC001169098464 969390610 /nfs/dbraw/zinc/39/06/10/969390610.db2.gz IKALTWVLEBJBSE-WZNRFSEPSA-N 2 0 238.375 1.362 20 0 BDADRP CO[C@@H](C)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169100313 969390976 /nfs/dbraw/zinc/39/09/76/969390976.db2.gz IRLYORJWSNWTBA-FIQHERPVSA-N 2 0 212.337 1.236 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169078740 969398365 /nfs/dbraw/zinc/39/83/65/969398365.db2.gz FRLKTTRHXSRMBF-ZSOGYDGISA-N 3 0 239.407 1.543 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCn1ccnc1)C2 ZINC001169078799 969399664 /nfs/dbraw/zinc/39/96/64/969399664.db2.gz HAKWILLOFULUIX-CLLJXQQHSA-N 2 0 234.347 1.098 20 0 BDADRP CCCC[N@H+](C)CCC[NH2+]C[C@@H](O)C(C)C ZINC001253778458 969399730 /nfs/dbraw/zinc/39/97/30/969399730.db2.gz PMDQTKBBWQOPLP-CYBMUJFWSA-N 2 0 230.396 1.715 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](n1ccc(C[NH3+])c1)C2 ZINC001169101189 969400769 /nfs/dbraw/zinc/40/07/69/969400769.db2.gz OYRDUYNAKLLUDK-CLLJXQQHSA-N 2 0 219.332 1.745 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](n1cncc1C[NH3+])C2 ZINC001169081358 969405288 /nfs/dbraw/zinc/40/52/88/969405288.db2.gz RYMCKEMYSJNURW-JGPRNRPPSA-N 2 0 220.320 1.140 20 0 BDADRP CC(C)OCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169080979 969405461 /nfs/dbraw/zinc/40/54/61/969405461.db2.gz OJPDRTFSYHQQKT-XYYAHUGASA-N 2 0 226.364 1.626 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H]1CCOC1)C2 ZINC001169091456 969406442 /nfs/dbraw/zinc/40/64/42/969406442.db2.gz ROKXXXGYSKOMCD-FVCCEPFGSA-N 2 0 224.348 1.238 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCC[C@@H]1O)C2 ZINC001169090872 969407847 /nfs/dbraw/zinc/40/78/47/969407847.db2.gz MNNKQLLBQOYZIH-LBELIVKGSA-N 2 0 224.348 1.115 20 0 BDADRP CC[N@H+]1C[C@@H]2C[NH+](CCCCOC)C[C@@H]2C1 ZINC001209219696 969408092 /nfs/dbraw/zinc/40/80/92/969408092.db2.gz LYYINKXPVFSPNK-BETUJISGSA-N 2 0 226.364 1.297 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@H]1CC[C@@H]([NH+](C)C)CC1 ZINC001253790786 969411939 /nfs/dbraw/zinc/41/19/39/969411939.db2.gz VGGSDYFGVOEYGB-FRRDWIJNSA-N 2 0 228.380 1.466 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H]1CCCO1 ZINC001169123083 969418782 /nfs/dbraw/zinc/41/87/82/969418782.db2.gz ISEFRBAIUMNGSI-YHQUGGNUSA-N 2 0 238.375 1.769 20 0 BDADRP C[C@@H]1COCC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169124202 969421148 /nfs/dbraw/zinc/42/11/48/969421148.db2.gz ASGGRXGJFFICMH-FQUUOJAGSA-N 2 0 238.375 1.580 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Nc1cccnc1C[NH3+])C2 ZINC001169111367 969444949 /nfs/dbraw/zinc/44/49/49/969444949.db2.gz PDDHEYPNTGHCJE-ZSBIGDGJSA-N 2 0 246.358 1.577 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[NH+]3CC[C@@H]3C1)C2 ZINC001169161975 969477455 /nfs/dbraw/zinc/47/74/55/969477455.db2.gz QZNBGRHYBZGGGW-RQJABVFESA-N 2 0 235.375 1.002 20 0 BDADRP [NH3+]Cc1cccc2c1cnn2-c1cc[nH+]cc1 ZINC001169194812 969478564 /nfs/dbraw/zinc/47/85/64/969478564.db2.gz KSBABBGSGGEQTO-UHFFFAOYSA-N 2 0 224.267 1.879 20 0 BDADRP C[N@H+]([C@@H]1CCCOC1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169160890 969479664 /nfs/dbraw/zinc/47/96/64/969479664.db2.gz MGHIVTCZMGFTMD-XJFOESAGSA-N 2 0 238.375 1.722 20 0 BDADRP C[C@@H]([NH3+])c1ccn(-c2c[nH+]cc3cc[nH]c32)n1 ZINC001169233234 969516416 /nfs/dbraw/zinc/51/64/16/969516416.db2.gz PDDNYXLBNKFOEB-MRVPVSSYSA-N 2 0 227.271 1.768 20 0 BDADRP C[N@H+](CCC[NH+]1CCCCC1)CC1COC1 ZINC001209451393 969516744 /nfs/dbraw/zinc/51/67/44/969516744.db2.gz XLFBBELSBJQDIX-UHFFFAOYSA-N 2 0 226.364 1.441 20 0 BDADRP Cc1n[nH]cc1C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001209559313 969544774 /nfs/dbraw/zinc/54/47/74/969544774.db2.gz UYMBMNZAGBFGKE-UHFFFAOYSA-N 2 0 234.347 1.246 20 0 BDADRP CC[N@H+](CCC[NH+](C)C)[C@@H]1CCCOC1 ZINC001254388610 969580333 /nfs/dbraw/zinc/58/03/33/969580333.db2.gz FXRHTFDIMURXJG-GFCCVEGCSA-N 2 0 214.353 1.439 20 0 BDADRP CN(Cc1c[nH+]ccc1N)C1CC[NH+](C)CC1 ZINC001209728742 969580401 /nfs/dbraw/zinc/58/04/01/969580401.db2.gz URCKFRUTSPMXJV-UHFFFAOYSA-N 2 0 234.347 1.020 20 0 BDADRP CC(C)C[NH+]1CCN(Cc2c[nH+]ccc2N)CC1 ZINC001209724408 969580478 /nfs/dbraw/zinc/58/04/78/969580478.db2.gz ALDYRSXPUZEJJZ-UHFFFAOYSA-N 2 0 248.374 1.268 20 0 BDADRP Cc1ccc(-n2nncc2C[NH3+])c(C[NH+](C)C)c1 ZINC001169311110 969584594 /nfs/dbraw/zinc/58/45/94/969584594.db2.gz BQNCPCOMCXQQNH-UHFFFAOYSA-N 2 0 245.330 1.096 20 0 BDADRP CC[NH+]1CCC(N(C)Cc2c[nH+]ccc2N)CC1 ZINC001209729841 969588459 /nfs/dbraw/zinc/58/84/59/969588459.db2.gz CLVIFKRSVOXVHY-UHFFFAOYSA-N 2 0 248.374 1.410 20 0 BDADRP CCC[NH+]1C[C@@H]2C[NH+]([C@H]3CCCOC3)C[C@H]2C1 ZINC001254388752 969606653 /nfs/dbraw/zinc/60/66/53/969606653.db2.gz HWXINKHEZNNVSV-MCIONIFRSA-N 2 0 238.375 1.439 20 0 BDADRP CCN(CC)C(=O)C[C@@H](C)N1CCC[C@@H]([NH3+])C1 ZINC001169438295 969630544 /nfs/dbraw/zinc/63/05/44/969630544.db2.gz USLVEAOBPDHQQA-VXGBXAGGSA-N 2 0 241.379 1.057 20 0 BDADRP Cc1cnc(CC[NH2+][C@@H]2CCC[N@@H+](C)CC2)nc1 ZINC001254497150 969659187 /nfs/dbraw/zinc/65/91/87/969659187.db2.gz GKJGGQURMNBLPE-CYBMUJFWSA-N 2 0 248.374 1.401 20 0 BDADRP C[NH+](C)CCCCC[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001254500669 969659424 /nfs/dbraw/zinc/65/94/24/969659424.db2.gz XRSZKBBJJFXJPE-AWEZNQCLSA-N 3 0 241.423 1.792 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+]C[C@H](O)c2ccco2)CC1 ZINC001254497841 969663244 /nfs/dbraw/zinc/66/32/44/969663244.db2.gz OGZWIIFXONFDIS-NEPJUHHUSA-N 2 0 238.331 1.387 20 0 BDADRP CCC[C@@H](CO)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001254504000 969669035 /nfs/dbraw/zinc/66/90/35/969669035.db2.gz QGJHOOUSAAIGOE-NEPJUHHUSA-N 2 0 214.353 1.221 20 0 BDADRP COC(=O)[C@H]1C[C@@H]([NH2+][C@H]2CCC[N@H+](C)CC2)C1 ZINC001254504071 969671043 /nfs/dbraw/zinc/67/10/43/969671043.db2.gz SFTAFHWASRVAHI-SDDRHHMPSA-N 2 0 240.347 1.012 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+]CCc2cncs2)CC1 ZINC001254504485 969674949 /nfs/dbraw/zinc/67/49/49/969674949.db2.gz BYTDBCGBWXBBMH-LLVKDONJSA-N 2 0 239.388 1.760 20 0 BDADRP Cc1cnc(C[NH3+])n1[C@@H]1CCC[N@@H+](C)CC1 ZINC001254506090 969676156 /nfs/dbraw/zinc/67/61/56/969676156.db2.gz PCAFCWCPUCGNBS-LLVKDONJSA-N 2 0 222.336 1.307 20 0 BDADRP COC(=O)CCCC[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001254507789 969678935 /nfs/dbraw/zinc/67/89/35/969678935.db2.gz DXTWNHWAXAIYPS-GFCCVEGCSA-N 2 0 242.363 1.404 20 0 BDADRP CO[C@H]1CC[N@@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254521206 969697569 /nfs/dbraw/zinc/69/75/69/969697569.db2.gz SRXBZFDWFVMERN-NEPJUHHUSA-N 2 0 212.337 1.191 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)CN1[C@H]1CCC[NH+](C)CC1 ZINC001254520572 969698791 /nfs/dbraw/zinc/69/87/91/969698791.db2.gz OGUCMWVPOMKTOC-MJBXVCDLSA-N 2 0 239.407 1.495 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH+]2CC[C@@]3(CCOC3)C2)CC1 ZINC001254518523 969700264 /nfs/dbraw/zinc/70/02/64/969700264.db2.gz BVDXJATUMKLJJR-ZIAGYGMSSA-N 2 0 238.375 1.583 20 0 BDADRP CC(C)[N@H+](CCCO)[C@@H]1CCC[NH+](C)CC1 ZINC001254521928 969709042 /nfs/dbraw/zinc/70/90/42/969709042.db2.gz AFAKJLFRACAGOA-CYBMUJFWSA-N 2 0 228.380 1.564 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH+]2CCC[C@@](C)(O)C2)CC1 ZINC001254524382 969711385 /nfs/dbraw/zinc/71/13/85/969711385.db2.gz WHTCCIYXRHYILA-CHWSQXEVSA-N 2 0 226.364 1.318 20 0 BDADRP CCOC1CC[NH+]([C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254522978 969711722 /nfs/dbraw/zinc/71/17/22/969711722.db2.gz LICFGNGZASZZAN-CYBMUJFWSA-N 2 0 240.391 1.972 20 0 BDADRP C[C@@H]1C[C@H](O)CC[N@@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254525065 969716168 /nfs/dbraw/zinc/71/61/68/969716168.db2.gz FPMQDISIXZISPW-JHJVBQTASA-N 2 0 226.364 1.316 20 0 BDADRP C[NH2+]CCN([C@H]1CCC[N@H+](C)CC1)C(C)(C)C ZINC001254528751 969720029 /nfs/dbraw/zinc/72/00/29/969720029.db2.gz AAABMFORSAPHQY-ZDUSSCGKSA-N 2 0 241.423 1.791 20 0 BDADRP CC[N@H+](CC(C)(C)O)[C@@H]1CCC[NH+](C)CC1 ZINC001254530240 969732537 /nfs/dbraw/zinc/73/25/37/969732537.db2.gz VNPWROFCLPQGRZ-GFCCVEGCSA-N 2 0 228.380 1.564 20 0 BDADRP [NH3+]CCCC[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000723634710 969792253 /nfs/dbraw/zinc/79/22/53/969792253.db2.gz VKOIEPHMSSLFMY-RWMBFGLXSA-N 2 0 226.364 1.520 20 0 BDADRP [NH3+]Cc1cccn1[C@H]1CC2CC[NH+](CC2)C1 ZINC001254835225 969798239 /nfs/dbraw/zinc/79/82/39/969798239.db2.gz FMJDHCOTANBHEO-ZDUSSCGKSA-N 2 0 219.332 1.604 20 0 BDADRP [NH3+]CCc1nccn1[C@H]1CC2CC[NH+](CC2)C1 ZINC001254835123 969799853 /nfs/dbraw/zinc/79/98/53/969799853.db2.gz FAUUELZGDCCLFX-LBPRGKRZSA-N 2 0 234.347 1.041 20 0 BDADRP CCCN(CCC[NH3+])[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254837451 969800035 /nfs/dbraw/zinc/80/00/35/969800035.db2.gz UXCDUCOCSAKEBJ-CQSZACIVSA-N 2 0 239.407 1.532 20 0 BDADRP [NH3+]CCc1cnn([C@@H]2CC3CC[NH+](CC3)C2)c1 ZINC001254841172 969800863 /nfs/dbraw/zinc/80/08/63/969800863.db2.gz UJULXMWLTPHVAJ-CYBMUJFWSA-N 2 0 234.347 1.041 20 0 BDADRP C[NH+](C)C1(C)CN([C@@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254861440 969811195 /nfs/dbraw/zinc/81/11/95/969811195.db2.gz SSHRRYWESLGFQO-CYBMUJFWSA-N 2 0 237.391 1.107 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+][C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)C1 ZINC001254916499 969819541 /nfs/dbraw/zinc/81/95/41/969819541.db2.gz ZNZJKGBEMFYDMU-OBPIAQAESA-N 2 0 236.359 1.604 20 0 BDADRP CCC[N@H+](CCC[NH3+])C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254922875 969822266 /nfs/dbraw/zinc/82/22/66/969822266.db2.gz XCMSSRAECNZVHO-VXGBXAGGSA-N 2 0 238.375 1.805 20 0 BDADRP CC(C)([NH3+])C(C)(C)[NH2+][C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254936342 969827627 /nfs/dbraw/zinc/82/76/27/969827627.db2.gz UHISKUXDQRKTNT-URLYPYJESA-N 2 0 238.375 1.850 20 0 BDADRP c1ccc([C@H]2C[NH2+]CCN2C[C@@H]2CCC[NH2+]2)cc1 ZINC001210196977 969829579 /nfs/dbraw/zinc/82/95/79/969829579.db2.gz TYGVBJOEXWCUDR-LSDHHAIUSA-N 2 0 245.370 1.385 20 0 BDADRP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](C1CCOCC1)C2 ZINC001255044038 969864952 /nfs/dbraw/zinc/86/49/52/969864952.db2.gz HSEAMPOSZAWFHZ-DGCLKSJQSA-N 2 0 224.348 1.049 20 0 BDADRP CC(C)([NH3+])C(C)(C)[NH2+]C1CCSCC1 ZINC001255084226 969917627 /nfs/dbraw/zinc/91/76/27/969917627.db2.gz CXKBPTLVOTUVNV-UHFFFAOYSA-N 2 0 216.394 1.988 20 0 BDADRP C[C@@H]1CN(c2cc3[nH]ccc3c[nH+]2)CC[NH2+]1 ZINC001156689008 969980430 /nfs/dbraw/zinc/98/04/30/969980430.db2.gz IMOLPMVRCMBDNM-SECBINFHSA-N 2 0 216.288 1.361 20 0 BDADRP C([NH2+][C@@H]1CCSC1)C12CC[NH+](CC1)CC2 ZINC001255271911 970022978 /nfs/dbraw/zinc/02/29/78/970022978.db2.gz MGIPQSJGNBMVIM-LLVKDONJSA-N 2 0 226.389 1.567 20 0 BDADRP CC(C)([NH3+])c1ccccc1NC[C@H]1COCC[NH2+]1 ZINC001170045375 970072831 /nfs/dbraw/zinc/07/28/31/970072831.db2.gz ACTDCISDQFCZTB-NSHDSACASA-N 2 0 249.358 1.281 20 0 BDADRP C[N@@H+]1CC[C@@H](N(CCC[NH3+])C2CCCCC2)C1 ZINC001255411505 970127114 /nfs/dbraw/zinc/12/71/14/970127114.db2.gz GVVKTWQXUIBGDX-CQSZACIVSA-N 2 0 239.407 1.674 20 0 BDADRP C[N@@H+]1CC[C@H](n2ccc3c2cccc3C[NH3+])C1 ZINC001255412138 970131299 /nfs/dbraw/zinc/13/12/99/970131299.db2.gz LJENJHUUQPAIPY-LBPRGKRZSA-N 2 0 229.327 1.977 20 0 BDADRP C[N@@H+]1CC[C@@H](n2ccc3ccc(C[NH3+])cc32)C1 ZINC001255411354 970132655 /nfs/dbraw/zinc/13/26/55/970132655.db2.gz GJHFJLDEFHMXCE-CYBMUJFWSA-N 2 0 229.327 1.977 20 0 BDADRP C[NH2+]Cc1ccc(Nc2[nH+]ccn2C)cc1 ZINC001211127649 970155593 /nfs/dbraw/zinc/15/55/93/970155593.db2.gz RRFCRHIGDZICOU-UHFFFAOYSA-N 2 0 216.288 1.883 20 0 BDADRP C[N@@H+]1CCC[C@H](N2C[C@@H]([NH3+])Cc3ccccc32)C1 ZINC001255468018 970193828 /nfs/dbraw/zinc/19/38/28/970193828.db2.gz OELLWORNEORRPN-KBPBESRZSA-N 2 0 245.370 1.471 20 0 BDADRP CCC[NH+](CCC)CCN[C@H]1CCC[N@H+](C)C1 ZINC001255468274 970195353 /nfs/dbraw/zinc/19/53/53/970195353.db2.gz RPDWSTRATNKXNA-AWEZNQCLSA-N 2 0 241.423 1.792 20 0 BDADRP CN(C1CC[NH+](C)CC1)[C@H]1CCC[N@H+](C)C1 ZINC001255479288 970212442 /nfs/dbraw/zinc/21/24/42/970212442.db2.gz GDPKVKGKHNDCOY-ZDUSSCGKSA-N 2 0 225.380 1.107 20 0 BDADRP Cc1nc2c(n1[C@H]1CCC[N@@H+](C)C1)CC[NH2+]CC2 ZINC001255484341 970224853 /nfs/dbraw/zinc/22/48/53/970224853.db2.gz XPBPSQKUSFLEDG-LBPRGKRZSA-N 2 0 248.374 1.146 20 0 BDADRP C[NH2+]Cc1ccc(N[C@@H]2CCC[N@H+](C)C2)cc1 ZINC001255486489 970232779 /nfs/dbraw/zinc/23/27/79/970232779.db2.gz LZQMLHZPYWEEDP-CQSZACIVSA-N 2 0 233.359 1.912 20 0 BDADRP CN(CCC[NH+]1CCCC1)[C@H]1CCC[N@H+](C)C1 ZINC001255486438 970233890 /nfs/dbraw/zinc/23/38/90/970233890.db2.gz LFWRCWSXGHJOKI-AWEZNQCLSA-N 2 0 239.407 1.498 20 0 BDADRP CN(CCC[NH+]1CCCC1)[C@@H]1CCC[N@H+](C)C1 ZINC001255486440 970236111 /nfs/dbraw/zinc/23/61/11/970236111.db2.gz LFWRCWSXGHJOKI-CQSZACIVSA-N 2 0 239.407 1.498 20 0 BDADRP CC[N@H+](C)C1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC001255495495 970257646 /nfs/dbraw/zinc/25/76/46/970257646.db2.gz QMELTKABHHALGL-CQSZACIVSA-N 2 0 239.407 1.497 20 0 BDADRP C[C@@H]1CC[C@@H]([N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC001170147738 970441544 /nfs/dbraw/zinc/44/15/44/970441544.db2.gz FFXNSMWFIRYZNB-FVCCEPFGSA-N 2 0 208.349 1.668 20 0 BDADRP C[C@@H](C[NH3+])CN(C)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255672041 970453762 /nfs/dbraw/zinc/45/37/62/970453762.db2.gz WDSUHVXXQMHMSL-ICIURTGMSA-N 2 0 239.407 1.528 20 0 BDADRP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000400011735 970540535 /nfs/dbraw/zinc/54/05/35/970540535.db2.gz WMEUZJKMIKWSAO-KBPBESRZSA-N 2 0 238.375 1.175 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCSC1)C1CC[NH2+]CC1 ZINC000400331063 970576867 /nfs/dbraw/zinc/57/68/67/970576867.db2.gz FYPMLXVEEKODKT-CMPLNLGQSA-N 2 0 228.405 1.860 20 0 BDADRP CC[NH+](CC)CC[C@H](C)NC[C@@H]1CCC[N@@H+]1C ZINC001255943258 970577126 /nfs/dbraw/zinc/57/71/26/970577126.db2.gz LCCAJLGMOOFVMO-KBPBESRZSA-N 2 0 241.423 1.791 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1cnn(C)c1 ZINC000400344491 970577814 /nfs/dbraw/zinc/57/78/14/970577814.db2.gz GSKOGOUXPFHZBL-WDEREUQCSA-N 2 0 236.363 1.459 20 0 BDADRP C[C@@H]([NH2+]C1CCC(O)CC1)C1CC[NH2+]CC1 ZINC000400345046 970581727 /nfs/dbraw/zinc/58/17/27/970581727.db2.gz ICEDMZPNGFOTNV-QFWMXSHPSA-N 2 0 226.364 1.268 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[N@@H+]1C[C@@H](O)CC[C@H]1C ZINC001255956009 970592577 /nfs/dbraw/zinc/59/25/77/970592577.db2.gz FOZBWKRBFPCVJB-RDBSUJKOSA-N 2 0 242.407 1.952 20 0 BDADRP Cc1ncc(C[NH2+][C@H](C)C2CC[NH2+]CC2)s1 ZINC000400464790 970593877 /nfs/dbraw/zinc/59/38/77/970593877.db2.gz SOUXGOSKBXPCHP-SECBINFHSA-N 2 0 239.388 1.929 20 0 BDADRP Cc1cc(NC[C@H]2COCC[NH2+]2)cc(C)[nH+]1 ZINC000304455000 970596250 /nfs/dbraw/zinc/59/62/50/970596250.db2.gz WSXOGPBKKGYINV-LBPRGKRZSA-N 2 0 221.304 1.099 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N1CC2(C1)C[NH+](C)C2 ZINC001255968545 970600306 /nfs/dbraw/zinc/60/03/06/970600306.db2.gz BBZODFCZMJXQSU-ZDUSSCGKSA-N 2 0 239.407 1.354 20 0 BDADRP Cc1cc(C[NH3+])nn1C1CC[NH+](C2CC2)CC1 ZINC001256067391 970630212 /nfs/dbraw/zinc/63/02/12/970630212.db2.gz NKTRBJOOBXJNRX-UHFFFAOYSA-N 2 0 234.347 1.450 20 0 BDADRP [NH3+]Cc1ccn(C2CC[NH+](C3CC3)CC2)n1 ZINC001256067120 970630606 /nfs/dbraw/zinc/63/06/06/970630606.db2.gz JAJXGDRKSNKYTJ-UHFFFAOYSA-N 2 0 220.320 1.141 20 0 BDADRP CN(CC[NH+](C)C)C1CC[NH+](C2CC2)CC1 ZINC001256073299 970640110 /nfs/dbraw/zinc/64/01/10/970640110.db2.gz QGHSMBXGEUEDMP-UHFFFAOYSA-N 2 0 225.380 1.107 20 0 BDADRP C[NH+]1CC(CNc2cccc3c2CC[C@@H]3[NH3+])C1 ZINC001170256428 970640227 /nfs/dbraw/zinc/64/02/27/970640227.db2.gz LPLNWSGESKWFOR-ZDUSSCGKSA-N 2 0 231.343 1.606 20 0 BDADRP C[C@H](Cc1ccccc1Cl)[NH2+]C[C@H](O)C[NH3+] ZINC001170248199 970653393 /nfs/dbraw/zinc/65/33/93/970653393.db2.gz NEXYSMHLRTXGFU-MWLCHTKSSA-N 2 0 242.750 1.180 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C(F)F ZINC000401093703 970657981 /nfs/dbraw/zinc/65/79/81/970657981.db2.gz WHRHTSYMMRAYFV-AXTSPUMRSA-N 2 0 218.291 1.618 20 0 BDADRP Cc1ccc(C[NH3+])nc1N(C)C1CC[NH+](C)CC1 ZINC001256194578 970686340 /nfs/dbraw/zinc/68/63/40/970686340.db2.gz IDVICEGANIAXLQ-UHFFFAOYSA-N 2 0 248.374 1.379 20 0 BDADRP CC(C)C[N@@H+]1CC[C@H](NC2CC[NH+](C)CC2)C1 ZINC001256198201 970692558 /nfs/dbraw/zinc/69/25/58/970692558.db2.gz DESMQQBRPCCARN-AWEZNQCLSA-N 2 0 239.407 1.401 20 0 BDADRP CC[N@@H+]1CCN(C2CC[NH+](C)CC2)C(C)(C)C1 ZINC001256209213 970708798 /nfs/dbraw/zinc/70/87/98/970708798.db2.gz PCPHMWRCVDPSDK-UHFFFAOYSA-N 2 0 239.407 1.497 20 0 BDADRP CN1CCC([N@@H+]2CCC[C@@H]2CF)CC1 ZINC001256216862 970721943 /nfs/dbraw/zinc/72/19/43/970721943.db2.gz WLZJEFPSDVZTDO-LLVKDONJSA-N 2 0 200.301 1.515 20 0 BDADRP CC1(C)C[C@@H]([N@@H+]2CCC[C@H]([NH3+])CC2)CCO1 ZINC001246547441 972670260 /nfs/dbraw/zinc/67/02/60/972670260.db2.gz PQABBCIVICXZBW-RYUDHWBXSA-N 2 0 226.364 1.757 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](C)[C@@](C)(O)CC2)CC[NH2+]1 ZINC001246552782 972740223 /nfs/dbraw/zinc/74/02/23/972740223.db2.gz VEVBGGIMLQNCJZ-MQYQWHSLSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@@H]1C[C@H](N2CCC[C@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246556130 972760549 /nfs/dbraw/zinc/76/05/49/972760549.db2.gz YKIHAHFHOBAKJM-UPJWGTAASA-N 2 0 225.380 1.330 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](C)[C@@](C)(O)C2)CC[NH2+]1 ZINC001246566044 972805227 /nfs/dbraw/zinc/80/52/27/972805227.db2.gz RJPDQIQJFHSFCG-NDBYEHHHSA-N 2 0 226.364 1.220 20 0 BDADRP C[C@@H]1[C@@H](C[NH3+])CCCN1[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246568153 972823547 /nfs/dbraw/zinc/82/35/47/972823547.db2.gz ZSSUDCDUHSYOMN-UPJWGTAASA-N 2 0 239.407 1.576 20 0 BDADRP CC(C)([NH3+])CNc1[nH+]ccc2c1CCN2 ZINC001171188829 972833627 /nfs/dbraw/zinc/83/36/27/972833627.db2.gz RLCCYDYEJFXRNR-UHFFFAOYSA-N 2 0 206.293 1.199 20 0 BDADRP CN1CC[C@@H]([N@@H+]2CCC[C@@](C)(C[NH3+])CC2)C1 ZINC001246571325 972850464 /nfs/dbraw/zinc/85/04/64/972850464.db2.gz BEZMXSIUPLVSPE-CHWSQXEVSA-N 2 0 225.380 1.141 20 0 BDADRP CC[C@@H]1C[C@H](N2CC[NH2+][C@H](C)C2)C[C@H](CC)[NH2+]1 ZINC001246573244 972861351 /nfs/dbraw/zinc/86/13/51/972861351.db2.gz IIVSRQIDSBOQER-MQYQWHSLSA-N 2 0 239.407 1.589 20 0 BDADRP C[C@@H]1C[N@@H+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)CCN1 ZINC001246578478 972900964 /nfs/dbraw/zinc/90/09/64/972900964.db2.gz VKLPDSQLYVPGLA-MCIONIFRSA-N 2 0 237.391 1.202 20 0 BDADRP C[NH2+]CC[C@@H](C)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001246604480 973023396 /nfs/dbraw/zinc/02/33/96/973023396.db2.gz TZMXRBQVLAYHLJ-UKRRQHHQSA-N 2 0 247.386 1.631 20 0 BDADRP C1C[NH2+][C@@]2(C1)CCCN([C@@H]1CCCC[NH2+]C1)C2 ZINC001246615661 973038215 /nfs/dbraw/zinc/03/82/15/973038215.db2.gz DUAHYXNNEAGSQU-KGLIPLIRSA-N 2 0 237.391 1.347 20 0 BDADRP C(C1CC1)[NH+]1CCC(N2CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001246639048 973061031 /nfs/dbraw/zinc/06/10/31/973061031.db2.gz NTSHYBHEBOZARV-HUUCEWRRSA-N 2 0 249.402 1.297 20 0 BDADRP C1[NH2+]CC12CCC([N@@H+]1C[C@H]3CCC[NH2+][C@H]3C1)CC2 ZINC001246656153 973068494 /nfs/dbraw/zinc/06/84/94/973068494.db2.gz JEFXJAQECZSINH-OCCSQVGLSA-N 3 0 249.402 1.202 20 0 BDADRP C1C[C@@]2(C[NH2+]1)CCC[C@H](N1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246672399 973084827 /nfs/dbraw/zinc/08/48/27/973084827.db2.gz DVNDWGRJIILQPT-XGUBFFRZSA-N 2 0 249.402 1.345 20 0 BDADRP C[C@@H]1CCC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)[C@H]1C ZINC001246792854 973096633 /nfs/dbraw/zinc/09/66/33/973096633.db2.gz YCNNJAIQJBYUOD-FRRDWIJNSA-N 2 0 237.391 1.201 20 0 BDADRP CC(C)[C@H]1C[C@@H](N2C[C@@H](C)[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC001246822617 973116203 /nfs/dbraw/zinc/11/62/03/973116203.db2.gz BRWMRJLLAHPAQN-RFQIPJPRSA-N 2 0 239.407 1.445 20 0 BDADRP CC[C@@H]1C[C@@H](N2C[C@@H]([NH3+])[C@@H](F)C2)C[C@H](CC)[NH2+]1 ZINC001246821613 973119826 /nfs/dbraw/zinc/11/98/26/973119826.db2.gz SYSWMJVBUCOKQH-FPYNETTCSA-N 2 0 243.370 1.277 20 0 BDADRP C1C[NH2+][C@@H](C2CC[NH+](C3CC[NH2+]CC3)CC2)C1 ZINC001246831692 973133287 /nfs/dbraw/zinc/13/32/87/973133287.db2.gz KCVYNWIQWBBTFT-CQSZACIVSA-N 2 0 237.391 1.202 20 0 BDADRP [NH3+]CC[C@@H]1CCCN1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246831341 973133355 /nfs/dbraw/zinc/13/33/55/973133355.db2.gz CVKAAZHZZJLRSG-FXJUQPSGSA-N 3 0 223.364 1.083 20 0 BDADRP [NH3+][C@]12CC[C@H]1CN([C@H]1CC[NH2+]C3(CCC3)C1)C2 ZINC001246856502 973172904 /nfs/dbraw/zinc/17/29/04/973172904.db2.gz XMRJGNRZFYUJAY-OBJOEFQTSA-N 2 0 235.375 1.084 20 0 BDADRP Cc1nc2c(n1[C@H]1CC[C@H](C)[NH2+]C1)C[NH2+]CC2 ZINC001246859567 973172992 /nfs/dbraw/zinc/17/29/92/973172992.db2.gz GABYITICOHNROF-ONGXEEELSA-N 2 0 234.347 1.150 20 0 BDADRP [NH3+]C/C=C/CNc1[nH+]ccc2[nH]ccc21 ZINC001160977322 973191160 /nfs/dbraw/zinc/19/11/60/973191160.db2.gz UHQCGUNSFIKIMI-OWOJBTEDSA-N 2 0 202.261 1.490 20 0 BDADRP C[C@H]1CN([C@@H]2CC[NH2+]C3(CCC3)C2)[C@@H](C)C[NH2+]1 ZINC001246875451 973302598 /nfs/dbraw/zinc/30/25/98/973302598.db2.gz VYPNENKGQUOMLV-RWMBFGLXSA-N 2 0 237.391 1.343 20 0 BDADRP CC[C@@H]1C[C@H](N(C)[C@H]2CCCC[C@H]2[NH3+])CC[NH2+]1 ZINC001246907518 973406208 /nfs/dbraw/zinc/40/62/08/973406208.db2.gz AHXVVCLKVQFYKO-SYQHCUMBSA-N 2 0 239.407 1.719 20 0 BDADRP CC(C)[N@H+](C)[C@H]1CCN([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246910092 973429756 /nfs/dbraw/zinc/42/97/56/973429756.db2.gz JYHUGKYDTGTZHI-MCIONIFRSA-N 2 0 239.407 1.541 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC001329023704 973434344 /nfs/dbraw/zinc/43/43/44/973434344.db2.gz NEMMMTFLWXFVHA-YVECIDJPSA-N 2 0 240.391 1.778 20 0 BDADRP C[C@@H]1C[C@H](N(C)[C@@]2(C)CCC[NH2+]C2)CC[NH2+]1 ZINC001246913577 973436874 /nfs/dbraw/zinc/43/68/74/973436874.db2.gz RCCIQNUFONUSKN-UPJWGTAASA-N 2 0 225.380 1.201 20 0 BDADRP [NH3+]CCCC[N@@H+]1C[C@@H]2CNc3ccccc3[C@H]2C1 ZINC001224119557 973454059 /nfs/dbraw/zinc/45/40/59/973454059.db2.gz RARSWMZIDDBSMU-JSGCOSHPSA-N 2 0 245.370 1.866 20 0 BDADRP C1[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246916440 973466892 /nfs/dbraw/zinc/46/68/92/973466892.db2.gz HNQJODAAHPDBRO-MGPQQGTHSA-N 2 0 249.402 1.345 20 0 BDADRP COC1CCC([NH2+]CC2([NH3+])CCOCC2)CC1 ZINC001329136248 973476745 /nfs/dbraw/zinc/47/67/45/973476745.db2.gz XOMAXVUPMWCXNF-UHFFFAOYSA-N 2 0 242.363 1.042 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC[C@@H]1C[NH3+])C2 ZINC001246918984 973482360 /nfs/dbraw/zinc/48/23/60/973482360.db2.gz YWIBKDHGTDZCNF-XQHKEYJVSA-N 2 0 223.364 1.035 20 0 BDADRP C[C@@H]1CC[C@H](N2C[C@H]3CCC[N@H+](C)[C@@H]3C2)C[NH2+]1 ZINC001246921714 973495864 /nfs/dbraw/zinc/49/58/64/973495864.db2.gz VFSMGQQOWQGLAR-YIYPIFLZSA-N 2 0 237.391 1.153 20 0 BDADRP Cc1cccnc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001329168032 973538398 /nfs/dbraw/zinc/53/83/98/973538398.db2.gz HRRRUZWULYFSFT-BETUJISGSA-N 2 0 233.359 1.820 20 0 BDADRP c1cc2c(c(NC[C@@H]3CCCC[NH2+]3)c1)C[NH2+]CC2 ZINC001171333114 973862913 /nfs/dbraw/zinc/86/29/13/973862913.db2.gz CADMZEWDZKXDDV-ZDUSSCGKSA-N 2 0 245.370 1.886 20 0 BDADRP c1cc(NC[C@H]2CCCC[NH2+]2)cc2c1C[NH2+]C2 ZINC001171334409 973864416 /nfs/dbraw/zinc/86/44/16/973864416.db2.gz MJQAQBYBPCWFHI-CQSZACIVSA-N 2 0 231.343 1.844 20 0 BDADRP C[C@H](C[NH+](C)C)OC[C@H]1CCCC[N@@H+]1C ZINC001224701502 973868006 /nfs/dbraw/zinc/86/80/06/973868006.db2.gz GTLCFJMCRWBTCO-VXGBXAGGSA-N 2 0 214.353 1.437 20 0 BDADRP CC[N@@H+]1CCC[C@H](OC[C@H]2CCCC[NH+]2C)C1 ZINC001224704611 973874838 /nfs/dbraw/zinc/87/48/38/973874838.db2.gz BFEMNGPQMXGTKO-KGLIPLIRSA-N 2 0 240.391 1.972 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC[C@H]2CCCC[NH2+]2)cn1 ZINC001171337814 973887633 /nfs/dbraw/zinc/88/76/33/973887633.db2.gz AXPNJSKJZJWDIC-WDEREUQCSA-N 2 0 234.347 1.655 20 0 BDADRP C[C@@H](C[NH+](C)C)OCCC[NH+]1CCCCC1 ZINC001224854761 974026972 /nfs/dbraw/zinc/02/69/72/974026972.db2.gz GUQNDXSUWOSFAK-ZDUSSCGKSA-N 2 0 228.380 1.829 20 0 BDADRP CC(C)[NH+]1CC(OCCC[NH+]2CCCCC2)C1 ZINC001224855573 974030052 /nfs/dbraw/zinc/03/00/52/974030052.db2.gz QFFALQNZFNYUKH-UHFFFAOYSA-N 2 0 240.391 1.972 20 0 BDADRP CC(C)C[N@H+](CCN)CC1CC[NH+](C)CC1 ZINC000691561536 974042422 /nfs/dbraw/zinc/04/24/22/974042422.db2.gz JBENRQPWMTZRRL-UHFFFAOYSA-N 2 0 227.396 1.245 20 0 BDADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC001329946601 974045554 /nfs/dbraw/zinc/04/55/54/974045554.db2.gz VGWDXZWSBUZTRI-NEPJUHHUSA-N 2 0 241.379 1.008 20 0 BDADRP C[NH+]1C(C)(C)CC([NH2+]CC(C)(C)O)CC1(C)C ZINC001171613448 974114648 /nfs/dbraw/zinc/11/46/48/974114648.db2.gz JYUHBSOLLHKKRU-UHFFFAOYSA-N 2 0 242.407 1.998 20 0 BDADRP Cc1ccc(CC[C@@H](C)[NH2+]C[C@H](O)C[NH3+])cc1 ZINC001171654973 974118663 /nfs/dbraw/zinc/11/86/63/974118663.db2.gz DBEQXIIUIUVXKH-TZMCWYRMSA-N 2 0 236.359 1.225 20 0 BDADRP CC[N@@H+]1CCC[C@@H](OCCCC[NH+](C)C)C1 ZINC001224991288 974122504 /nfs/dbraw/zinc/12/25/04/974122504.db2.gz QLLZRCRAKWMGAZ-CYBMUJFWSA-N 2 0 228.380 1.829 20 0 BDADRP C[N@@H+]1CC[C@@H](C[NH2+][C@@H]2Cc3cccc(F)c3C2)C1 ZINC001171773307 974158424 /nfs/dbraw/zinc/15/84/24/974158424.db2.gz JETDJBQCUXGZDK-WCQYABFASA-N 2 0 248.345 1.834 20 0 BDADRP N[C@@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)CC[C@@H]1F ZINC001206153247 974257840 /nfs/dbraw/zinc/25/78/40/974257840.db2.gz CJMQIIZDJKJLEQ-FRRDWIJNSA-N 2 0 243.370 1.137 20 0 BDADRP N[C@@H]1CC[N@H+](CCCCCC[NH3+])CC[C@@H]1F ZINC001206155615 974330689 /nfs/dbraw/zinc/33/06/89/974330689.db2.gz MSMVOEWECXMDKP-NWDGAFQWSA-N 3 0 231.359 1.267 20 0 BDADRP N[C@H]1CC[N@H+](CCCCCC[NH3+])CC[C@H]1F ZINC001206155614 974333291 /nfs/dbraw/zinc/33/32/91/974333291.db2.gz MSMVOEWECXMDKP-NEPJUHHUSA-N 3 0 231.359 1.267 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1nccc1C[NH3+])C2 ZINC001172100706 974346162 /nfs/dbraw/zinc/34/61/62/974346162.db2.gz RPMAZJUKSRSIPW-PJXYFTJBSA-N 2 0 234.347 1.530 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(O)CCC1)C2 ZINC001172104194 974369799 /nfs/dbraw/zinc/36/97/99/974369799.db2.gz ANQHXGNNQPZMFP-CLLJXQQHSA-N 2 0 238.375 1.506 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC(C)([NH3+])C1)C2 ZINC001172108431 974371446 /nfs/dbraw/zinc/37/14/46/974371446.db2.gz ADWTVGDICCNATJ-ZSBIGDGJSA-N 2 0 223.364 1.035 20 0 BDADRP CN1CC(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172110302 974375514 /nfs/dbraw/zinc/37/55/14/974375514.db2.gz MKDLWTCTVCXASM-ZSOGYDGISA-N 2 0 237.391 1.153 20 0 BDADRP C[NH+]1CCC(C[NH2+]C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172229060 974466577 /nfs/dbraw/zinc/46/65/77/974466577.db2.gz HECRKIZTMMGHCH-AGUYFDCRSA-N 2 0 236.359 1.404 20 0 BDADRP [NH3+][C@H]1CC[N@H+](Cc2ccc(O)cc2)CC[C@@H]1F ZINC001206163527 974488916 /nfs/dbraw/zinc/48/89/16/974488916.db2.gz DEMOOEZOKVEPQP-STQMWFEESA-N 2 0 238.306 1.653 20 0 BDADRP [NH3+][C@@H]1CC[N@H+](Cc2ncccc2O)CC[C@@H]1F ZINC001206163490 974491112 /nfs/dbraw/zinc/49/11/12/974491112.db2.gz CNPPSPRFOBONTI-VHSXEESVSA-N 2 0 239.294 1.048 20 0 BDADRP COCCC[NH+]1CCC([NH2+]C2CC(F)C2)CC1 ZINC001172243293 974510089 /nfs/dbraw/zinc/51/00/89/974510089.db2.gz GSVUJPIQULMVEE-UHFFFAOYSA-N 2 0 244.354 1.577 20 0 BDADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCCC(C)(C)[NH3+] ZINC001330951087 974538561 /nfs/dbraw/zinc/53/85/61/974538561.db2.gz DYJZHUHCCVKUJG-JTQLQIEISA-N 2 0 243.395 1.240 20 0 BDADRP CC[C@H](C)OCC[C@@H](C)[NH2+]CCN(C)CC[NH3+] ZINC001172344718 974615803 /nfs/dbraw/zinc/61/58/03/974615803.db2.gz UTJMUNCIJACYQY-OLZOCXBDSA-N 2 0 245.411 1.060 20 0 BDADRP CCOCC[C@@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC001172406005 974660446 /nfs/dbraw/zinc/66/04/46/974660446.db2.gz FJEUOHHXVKWKTB-GRYCIOLGSA-N 2 0 214.353 1.661 20 0 BDADRP CCOCC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC001172408122 974669446 /nfs/dbraw/zinc/66/94/46/974669446.db2.gz FEUXQAZDVXEZCW-CHWSQXEVSA-N 2 0 228.380 1.733 20 0 BDADRP CCOCC[C@@H](C)N1CCC[C@@H]([NH3+])C1 ZINC001172412587 974677727 /nfs/dbraw/zinc/67/77/27/974677727.db2.gz ZFOOMLLWZJTGNO-GHMZBOCLSA-N 2 0 200.326 1.225 20 0 BDADRP CCOCC[C@H](C)[NH2+]C(C)(C)C(C)(C)[NH3+] ZINC001172416722 974685558 /nfs/dbraw/zinc/68/55/58/974685558.db2.gz PKHXMBKAEGAYGE-JTQLQIEISA-N 2 0 216.369 1.907 20 0 BDADRP CC[C@H](CC(C)C)[NH2+]CCN1CC[NH+](C)CC1 ZINC001172382334 974723221 /nfs/dbraw/zinc/72/32/21/974723221.db2.gz DMLXRLGYQBXZGF-CQSZACIVSA-N 2 0 241.423 1.648 20 0 BDADRP CC(C)OCC[C@H](C)[NH2+]C[C@H](C)C[NH3+] ZINC001172439523 974794973 /nfs/dbraw/zinc/79/49/73/974794973.db2.gz FEYGSTPYWSIBRY-MNOVXSKESA-N 2 0 202.342 1.374 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+]CCc2cnccn2)CC1(C)C ZINC001331693703 974794112 /nfs/dbraw/zinc/79/41/12/974794112.db2.gz VTJHELXKYWEBLK-GFCCVEGCSA-N 2 0 248.374 1.482 20 0 BDADRP CC[N@@H+]1CCC[C@H](CNC(=[NH2+])N[C@@H]2C[C@@H]2C)C1 ZINC001331900111 974857076 /nfs/dbraw/zinc/85/70/76/974857076.db2.gz CADCJDCVMQNIOC-QJPTWQEYSA-N 2 0 238.379 1.241 20 0 BDADRP [NH3+]C1CC([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172710497 974924914 /nfs/dbraw/zinc/92/49/14/974924914.db2.gz DLWRLMKLFOMRCC-OTTFEQOBSA-N 2 0 236.746 1.887 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+]CCSCC[NH3+])C1 ZINC001172927626 974973845 /nfs/dbraw/zinc/97/38/45/974973845.db2.gz YWZHRLGBLJVOHX-MNOVXSKESA-N 2 0 232.393 1.226 20 0 BDADRP C[C@@H](C[NH3+])C[N@H+](C)[C@H]1CCc2ncsc2C1 ZINC001173131945 975043232 /nfs/dbraw/zinc/04/32/32/975043232.db2.gz NRUATEIRGRDQBF-UWVGGRQHSA-N 2 0 239.388 1.527 20 0 BDADRP CCCC[N@H+](CC)CCN[C@H]1CC[NH+](CC)C1 ZINC001173351010 975294275 /nfs/dbraw/zinc/29/42/75/975294275.db2.gz RVEORPKERGVFMA-AWEZNQCLSA-N 2 0 241.423 1.792 20 0 BDADRP CCN1CC[C@H]([NH2+][C@H]2CC[C@@H]([NH+](C)C)CC2)C1 ZINC001173357392 975315881 /nfs/dbraw/zinc/31/58/81/975315881.db2.gz JXMQVYBZWVZUSE-MELADBBJSA-N 2 0 239.407 1.543 20 0 BDADRP CC[N@@H+]1CC[C@H](Nc2ccc(C[NH3+])nc2)C1 ZINC001173356920 975316099 /nfs/dbraw/zinc/31/60/99/975316099.db2.gz HJTXREHQFZARIX-LBPRGKRZSA-N 2 0 220.320 1.046 20 0 BDADRP CC[N@@H+]1CC[C@H](N[C@H]2C[C@H]3CC[NH+](C2)[C@H]3C)C1 ZINC001173359351 975324313 /nfs/dbraw/zinc/32/43/13/975324313.db2.gz MJOVNGLHIGFPHQ-CRWXNKLISA-N 2 0 237.391 1.153 20 0 BDADRP CC[N@@H+]1CC[C@@H](n2cnc3cccc(C[NH3+])c32)C1 ZINC001173361782 975335989 /nfs/dbraw/zinc/33/59/89/975335989.db2.gz XATVAWCDEKQETO-GFCCVEGCSA-N 2 0 244.342 1.762 20 0 BDADRP C1[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C12CCC2 ZINC000721224075 975360440 /nfs/dbraw/zinc/36/04/40/975360440.db2.gz LTVXEEAYXMQNCT-MBYGNEARSA-N 2 0 206.333 1.802 20 0 BDADRP CN1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC[C@@H]1CCOC1 ZINC001333487479 975810084 /nfs/dbraw/zinc/81/00/84/975810084.db2.gz HZQHGFXPQLZLHZ-HZSPNIEDSA-N 2 0 238.375 1.582 20 0 BDADRP OCc1cc(Nc2cc[nH+]cc2)cc[nH+]1 ZINC001173881200 975915563 /nfs/dbraw/zinc/91/55/63/975915563.db2.gz GGCPFIMNOBHAKF-UHFFFAOYSA-N 2 0 201.229 1.134 20 0 BDADRP CCC[NH2+][C@@H](C)C(=O)N1CCC([NH3+])(CC)CC1 ZINC001333711206 976017424 /nfs/dbraw/zinc/01/74/24/976017424.db2.gz XUGFYVJJBJCDHX-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP [NH3+]CCC[C@@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1 ZINC001334391061 976489254 /nfs/dbraw/zinc/48/92/54/976489254.db2.gz QOCLJYUKTZXGHY-BARDWOONSA-N 2 0 245.370 1.274 20 0 BDADRP CC(C)OCC[C@@H](O)C[NH2+]CC[C@H](C)[NH+](C)C ZINC001335381656 977018312 /nfs/dbraw/zinc/01/83/12/977018312.db2.gz OTTFVHJMTQBSFT-QWHCGFSZSA-N 2 0 246.395 1.092 20 0 BDADRP C[C@H](C[NH+](C)C)Oc1ccc2[nH]c(N)[nH+]c2c1 ZINC001230517267 977232429 /nfs/dbraw/zinc/23/24/29/977232429.db2.gz YDHOJKLGQAIRME-MRVPVSSYSA-N 2 0 234.303 1.474 20 0 BDADRP CC[NH+](CC)CCCC[NH2+][C@@H](C)[C@H](C)O ZINC001335943996 977378314 /nfs/dbraw/zinc/37/83/14/977378314.db2.gz ZYRRALGZKFJOFF-RYUDHWBXSA-N 2 0 216.369 1.467 20 0 BDADRP Cc1c[nH+]ccc1NC1=CCC[N@@H+](C)C1 ZINC001175574415 977568823 /nfs/dbraw/zinc/56/88/23/977568823.db2.gz VJUXYLGCOBCAEJ-UHFFFAOYSA-N 2 0 203.289 1.443 20 0 BDADRP C[NH+](C)CCn1cc(NC2=CCC[N@H+](C)C2)cn1 ZINC001175574031 977569523 /nfs/dbraw/zinc/56/95/23/977569523.db2.gz KUCZYJKZAIYNSK-UHFFFAOYSA-N 2 0 249.362 1.076 20 0 BDADRP CCC[N@@H+]1CC[C@H](CNc2nccnc2C[NH3+])C1 ZINC001336496035 977720254 /nfs/dbraw/zinc/72/02/54/977720254.db2.gz TXCUSTHINNEBSN-LLVKDONJSA-N 2 0 249.362 1.079 20 0 BDADRP CC(C)[N@@H+](C)C[C@@H](C)Nc1nccnc1C[NH3+] ZINC001336649958 977829293 /nfs/dbraw/zinc/82/92/93/977829293.db2.gz CMWJXPLDIRJCPF-SNVBAGLBSA-N 2 0 237.351 1.076 20 0 BDADRP C[N@H+](CCCCNc1nccnc1C[NH3+])C1CC1 ZINC001336649613 977831029 /nfs/dbraw/zinc/83/10/29/977831029.db2.gz MIOJISUVECJKJC-UHFFFAOYSA-N 2 0 249.362 1.222 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C[C@@H]1O ZINC001232011010 977839568 /nfs/dbraw/zinc/83/95/68/977839568.db2.gz FZLLFBZGRDSTOG-YGRLFVJLSA-N 2 0 245.326 1.766 20 0 BDADRP C[N@@H+]1CCCN(Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001232012106 977840670 /nfs/dbraw/zinc/84/06/70/977840670.db2.gz SOHFATFIJKLNJY-UHFFFAOYSA-N 2 0 244.342 1.700 20 0 BDADRP C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232011023 977841109 /nfs/dbraw/zinc/84/11/09/977841109.db2.gz GMNPPTJTAZBUSZ-MFKMUULPSA-N 2 0 245.326 1.908 20 0 BDADRP CCC(CC)[NH2+]CCNc1nccnc1C[NH3+] ZINC001336682603 977853865 /nfs/dbraw/zinc/85/38/65/977853865.db2.gz RHEPVTVJZOLOJH-UHFFFAOYSA-N 2 0 237.351 1.125 20 0 BDADRP C[N@@H+](Cc1cncc(O)c1)CC1CC[NH+](C)CC1 ZINC001232042813 977870704 /nfs/dbraw/zinc/87/07/04/977870704.db2.gz KFAXLZZJOKYRRW-UHFFFAOYSA-N 2 0 249.358 1.561 20 0 BDADRP Cc1cc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)on1 ZINC001277605181 977873696 /nfs/dbraw/zinc/87/36/96/977873696.db2.gz FXEDWWYANRTFNC-BETUJISGSA-N 2 0 249.358 1.757 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2ccccn2)C1 ZINC001336738978 977898075 /nfs/dbraw/zinc/89/80/75/977898075.db2.gz KGHIFOTVPHCSAQ-JSGCOSHPSA-N 2 0 249.358 1.046 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+](CC(F)F)CC2 ZINC001277644595 977991337 /nfs/dbraw/zinc/99/13/37/977991337.db2.gz KGWGJCWHINWAKJ-UHFFFAOYSA-N 2 0 204.264 1.279 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(N)nc1)CC2 ZINC001232370062 978047042 /nfs/dbraw/zinc/04/70/42/978047042.db2.gz VHKOMENQXXMXDP-UHFFFAOYSA-N 2 0 246.358 1.191 20 0 BDADRP CC[N@@H+]1CC[C@H](N(CC[NH3+])Cc2ccccc2)C1 ZINC000328195140 978199955 /nfs/dbraw/zinc/19/99/55/978199955.db2.gz QIRVUKBZRHJKBV-HNNXBMFYSA-N 2 0 247.386 1.542 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@H+](C[C@@H]2CC[NH2+]C2)CC1 ZINC001206293100 978292104 /nfs/dbraw/zinc/29/21/04/978292104.db2.gz GHMBPAIROJZNES-OLZOCXBDSA-N 3 0 225.380 1.047 20 0 BDADRP CCN1CC[C@H]([N@H+](C)C2CCC([NH3+])CC2)C1 ZINC000328335197 978295222 /nfs/dbraw/zinc/29/52/22/978295222.db2.gz IWMBIRWEPXMZOF-BPCQOVAHSA-N 2 0 225.380 1.282 20 0 BDADRP C[C@]1(C[NH3+])CCCN(C[C@@H]2CCCC[NH2+]2)CC1 ZINC001206296469 978304221 /nfs/dbraw/zinc/30/42/21/978304221.db2.gz SWJNGXGRXBYPMV-KBPBESRZSA-N 2 0 239.407 1.579 20 0 BDADRP CCN1CC[C@H]([NH2+]CCC2CC[NH+](C)CC2)C1 ZINC000328457059 978354323 /nfs/dbraw/zinc/35/43/23/978354323.db2.gz FTHHVDGJOMIFMB-AWEZNQCLSA-N 2 0 239.407 1.402 20 0 BDADRP CC[N@@H+]1CC[C@@H](NCCC[NH+]2CCCCC2)C1 ZINC000328456602 978357304 /nfs/dbraw/zinc/35/73/04/978357304.db2.gz FMOBDDWADZGDLS-CQSZACIVSA-N 2 0 239.407 1.546 20 0 BDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC001177698537 978418281 /nfs/dbraw/zinc/41/82/81/978418281.db2.gz XBKLIICKYKTEEV-MGPQQGTHSA-N 2 0 239.407 1.401 20 0 BDADRP C[NH+](C)CCn1cc(-c2cc(N)cc[nH+]2)cn1 ZINC001206310273 978468555 /nfs/dbraw/zinc/46/85/55/978468555.db2.gz DWRDOZLUXVRTGL-UHFFFAOYSA-N 2 0 231.303 1.089 20 0 BDADRP Cn1c[nH+]cc1N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC001277765942 978474296 /nfs/dbraw/zinc/47/42/96/978474296.db2.gz XMGIPRUESGBAIF-CYBMUJFWSA-N 2 0 234.347 1.342 20 0 BDADRP Cn1c[nH+]cc1N1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001277765248 978474881 /nfs/dbraw/zinc/47/48/81/978474881.db2.gz DCKMPHASCXMHFI-CQSZACIVSA-N 2 0 248.374 1.732 20 0 BDADRP Cc1cc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cnc1C ZINC001233160769 978482544 /nfs/dbraw/zinc/48/25/44/978482544.db2.gz GXAPGNXJTQRMAI-GASCZTMLSA-N 2 0 245.370 1.692 20 0 BDADRP Cc1ncc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)o1 ZINC001206318607 978520046 /nfs/dbraw/zinc/52/00/46/978520046.db2.gz RWLRKAJUMXHHFJ-ZDUSSCGKSA-N 2 0 237.347 1.934 20 0 BDADRP CC[NH2+]CCCCCCNC(=O)CC[NH+](C)C ZINC001179464124 978706970 /nfs/dbraw/zinc/70/69/70/978706970.db2.gz NNIDHMZNWVCXJX-UHFFFAOYSA-N 2 0 243.395 1.224 20 0 BDADRP CC(C)([NH3+])CC[NH2+]C1CCC(C[NH3+])CC1 ZINC001339222913 978820737 /nfs/dbraw/zinc/82/07/37/978820737.db2.gz GGRGPRORFMGXQS-UHFFFAOYSA-N 3 0 213.369 1.221 20 0 BDADRP C[C@H]1C[N@H+](CCCNc2cc[nH+]cc2)CCCO1 ZINC001339458351 978855534 /nfs/dbraw/zinc/85/55/34/978855534.db2.gz IBDHJYIEEBIOQW-ZDUSSCGKSA-N 2 0 249.358 1.416 20 0 BDADRP CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC000722160169 978903752 /nfs/dbraw/zinc/90/37/52/978903752.db2.gz TUDHYWXUULSLLH-VXGBXAGGSA-N 2 0 243.395 1.221 20 0 BDADRP CCC(CC)C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235053823 978965874 /nfs/dbraw/zinc/96/58/74/978965874.db2.gz KVKGXKGEXIMERC-ZDUSSCGKSA-N 2 0 225.380 1.060 20 0 BDADRP CC[NH+]1CCC(CN2CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001235073478 978969053 /nfs/dbraw/zinc/96/90/53/978969053.db2.gz REFDSEZFHBRBRE-ZIAGYGMSSA-N 2 0 237.391 1.155 20 0 BDADRP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](C1CC1)C2 ZINC001277923573 978975336 /nfs/dbraw/zinc/97/53/36/978975336.db2.gz BXYGWIBAAMDINV-UHFFFAOYSA-N 2 0 237.391 1.108 20 0 BDADRP [NH3+]Cc1cccc(CN2CC[C@H]3C[C@@]3([NH3+])C2)c1 ZINC001235176634 978990385 /nfs/dbraw/zinc/99/03/85/978990385.db2.gz XJZCYPKEBNWEEC-UONOGXRCSA-N 2 0 231.343 1.068 20 0 BDADRP CC[NH2+]CCN1CCCC[C@]12CCC[NH2+]C2 ZINC001235176128 978990552 /nfs/dbraw/zinc/99/05/52/978990552.db2.gz ZNVYHHWXGZOAFS-CYBMUJFWSA-N 2 0 225.380 1.204 20 0 BDADRP C(C[N@@H+]1CCCC[C@]12CCC[NH2+]C2)C1C[NH2+]C1 ZINC001235174711 978990556 /nfs/dbraw/zinc/99/05/56/978990556.db2.gz VDZFAPUWVSZLEY-CQSZACIVSA-N 3 0 237.391 1.204 20 0 BDADRP [NH3+]CCCC[N@@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001235187466 978991341 /nfs/dbraw/zinc/99/13/41/978991341.db2.gz ZLNFQXAUKDWUOM-VXGBXAGGSA-N 2 0 212.337 1.226 20 0 BDADRP [NH3+][C@H](CN1CC2(C1)CCC[NH2+]2)c1ccccc1 ZINC001235197142 978992434 /nfs/dbraw/zinc/99/24/34/978992434.db2.gz BOAZGYGXDARUJT-CYBMUJFWSA-N 2 0 231.343 1.124 20 0 BDADRP C([C@H]1CC[NH2+]1)N1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235230339 978998128 /nfs/dbraw/zinc/99/81/28/978998128.db2.gz AXBJLLAZUAYRKT-KGLIPLIRSA-N 2 0 237.391 1.202 20 0 BDADRP c1cc(CN2CCC[C@@H]3[NH2+]C[C@@H]32)cc2c1C[NH2+]C2 ZINC001235302625 979020681 /nfs/dbraw/zinc/02/06/81/979020681.db2.gz IGTYAJPNPGDDCF-GJZGRUSLSA-N 2 0 243.354 1.226 20 0 BDADRP CC[NH+]1CCC(C[N@H+](C)CCCCCO)CC1 ZINC001181253267 979021815 /nfs/dbraw/zinc/02/18/15/979021815.db2.gz BMMHDGDMCFQJLF-UHFFFAOYSA-N 2 0 242.407 1.813 20 0 BDADRP CC(C)C[C@@H]([NH3+])CC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC001340513275 979031640 /nfs/dbraw/zinc/03/16/40/979031640.db2.gz KHLCYUCLONCELA-IJLUTSLNSA-N 2 0 241.379 1.136 20 0 BDADRP CN(CC[C@@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC001235342034 979032243 /nfs/dbraw/zinc/03/22/43/979032243.db2.gz GQSZECAQXKMQHM-STQMWFEESA-N 2 0 225.380 1.060 20 0 BDADRP C(C[NH2+]C1CCCCC1)CN1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001235402870 979036954 /nfs/dbraw/zinc/03/69/54/979036954.db2.gz LNCUSVXHSZBANG-KBPBESRZSA-N 2 0 237.391 1.345 20 0 BDADRP OCCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235422221 979043599 /nfs/dbraw/zinc/04/35/99/979043599.db2.gz ADDZBJVROCPVJS-STQMWFEESA-N 2 0 226.364 1.080 20 0 BDADRP CC[C@H](N)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235429462 979046058 /nfs/dbraw/zinc/04/60/58/979046058.db2.gz YDSUAHLXRSAQJW-MCIONIFRSA-N 2 0 239.407 1.435 20 0 BDADRP C[C@@H]1CN[C@@H](C)C[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001235440323 979046580 /nfs/dbraw/zinc/04/65/80/979046580.db2.gz GGIHWRJLAWNBPY-YNEHKIRRSA-N 2 0 225.380 1.058 20 0 BDADRP CC(C)[C@@H]1C[NH2+]CCN1C[C@@H]([NH3+])c1ccccc1 ZINC001235452809 979049725 /nfs/dbraw/zinc/04/97/25/979049725.db2.gz MVHMCTMMJQVGHY-CABCVRRESA-N 2 0 247.386 1.616 20 0 BDADRP C[C@@H](O)C[NH+]1CCC2(CCC[N@H+](C)C2)CC1 ZINC001277957349 979107338 /nfs/dbraw/zinc/10/73/38/979107338.db2.gz AZZARJGQGMWJTQ-GFCCVEGCSA-N 2 0 226.364 1.175 20 0 BDADRP C[C@H]([NH3+])CN1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC001235675370 979110854 /nfs/dbraw/zinc/11/08/54/979110854.db2.gz WUFRJQFFYKZZHX-JSGCOSHPSA-N 2 0 233.359 1.322 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCC[C@@H]1c1cnccn1 ZINC001235760028 979143917 /nfs/dbraw/zinc/14/39/17/979143917.db2.gz LSXKGZYMZUMERU-GFCCVEGCSA-N 2 0 220.320 1.352 20 0 BDADRP CCN(C[C@@H]1CCCC[NH2+]1)C1CC[NH2+]CC1 ZINC001235762608 979144184 /nfs/dbraw/zinc/14/41/84/979144184.db2.gz ZNJNQXUGFSKWHP-LBPRGKRZSA-N 2 0 225.380 1.202 20 0 BDADRP C[C@H]([NH3+])C(=O)NCCCCCC1CC[NH2+]CC1 ZINC001340947489 979171874 /nfs/dbraw/zinc/17/18/74/979171874.db2.gz XAQCRYOXIUFCJB-NSHDSACASA-N 2 0 241.379 1.010 20 0 BDADRP C[C@@H]([NH3+])CN1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001235863574 979173514 /nfs/dbraw/zinc/17/35/14/979173514.db2.gz FUFJUSNODXNXBO-KGLIPLIRSA-N 2 0 247.386 1.712 20 0 BDADRP c1ccc([C@@H]2CN(C[C@@H]3CCC[NH2+]3)CC[NH2+]2)cc1 ZINC001235858989 979174783 /nfs/dbraw/zinc/17/47/83/979174783.db2.gz KSMKFWWWOFINAG-GJZGRUSLSA-N 2 0 245.370 1.385 20 0 BDADRP C[C@@H]1CC[C@H]([NH3+])CN1Cc1ccc2c(c1)CCN2 ZINC001235907681 979202335 /nfs/dbraw/zinc/20/23/35/979202335.db2.gz SFVLWEWFMAUWMG-RISCZKNCSA-N 2 0 245.370 1.966 20 0 BDADRP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC001235958264 979224806 /nfs/dbraw/zinc/22/48/06/979224806.db2.gz CDUQTTLXOQQNRB-YIYPIFLZSA-N 3 0 237.391 1.045 20 0 BDADRP [NH3+][C@]12CC[C@@H]1C[N@H+](CCC1CCCC1)C2 ZINC001235980938 979241196 /nfs/dbraw/zinc/24/11/96/979241196.db2.gz SKCRGWXIKKIMHC-OLZOCXBDSA-N 2 0 208.349 1.990 20 0 BDADRP C[C@H]([NH3+])CN1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001235972937 979244870 /nfs/dbraw/zinc/24/48/70/979244870.db2.gz ISJPKKPXMWZVBZ-MELADBBJSA-N 2 0 239.407 1.672 20 0 BDADRP [NH3+]Cc1ccc(CN2C[C@@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235989676 979271837 /nfs/dbraw/zinc/27/18/37/979271837.db2.gz JFCWSSMYJXTZFA-KBPBESRZSA-N 2 0 231.343 1.068 20 0 BDADRP CC(C)(C)CC[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235993816 979283243 /nfs/dbraw/zinc/28/32/43/979283243.db2.gz RGAZDHLCVFWIDW-FOSCPWQOSA-N 2 0 226.364 1.328 20 0 BDADRP CCN(CC[C@@H]1CCCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC001236004599 979288958 /nfs/dbraw/zinc/28/89/58/979288958.db2.gz GJMVKLJXUHFIBQ-KBPBESRZSA-N 2 0 239.407 1.593 20 0 BDADRP CCN(C[C@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC001236006322 979294613 /nfs/dbraw/zinc/29/46/13/979294613.db2.gz QTNRWLHVTISOIH-QWHCGFSZSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CN(CC[C@@H]2CCCC[NH2+]2)C1 ZINC001236044921 979338433 /nfs/dbraw/zinc/33/84/33/979338433.db2.gz PVDMRJFVLKKKAK-UPJWGTAASA-N 2 0 225.380 1.188 20 0 BDADRP [NH3+]CCCCN1CCO[C@@H](c2ccncc2)C1 ZINC001236071321 979358959 /nfs/dbraw/zinc/35/89/59/979358959.db2.gz JEDACMIHBSCBEI-CYBMUJFWSA-N 2 0 235.331 1.194 20 0 BDADRP CCCC[C@@H]1CN(C[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001236134337 979405782 /nfs/dbraw/zinc/40/57/82/979405782.db2.gz ANSXMSYTPFCSNH-UONOGXRCSA-N 2 0 239.407 1.450 20 0 BDADRP CCN(CC[NH2+]C)Cc1ccc(C[NH3+])cc1 ZINC001236142157 979410977 /nfs/dbraw/zinc/41/09/77/979410977.db2.gz ATWDRWULWXBSHZ-UHFFFAOYSA-N 2 0 221.348 1.187 20 0 BDADRP CCC[C@H]1CN(Cc2cccc(C[NH3+])c2)CC[NH2+]1 ZINC001236177582 979434317 /nfs/dbraw/zinc/43/43/17/979434317.db2.gz CLJMHIZZAOEOIQ-HNNXBMFYSA-N 2 0 247.386 1.719 20 0 BDADRP CCCN(C[C@@H]1CCCC[NH2+]1)C1CC[NH2+]CC1 ZINC001236180470 979439877 /nfs/dbraw/zinc/43/98/77/979439877.db2.gz JLQYXTXASSDCAZ-ZDUSSCGKSA-N 2 0 239.407 1.593 20 0 BDADRP CN(Cc1cccc(C[NH3+])c1)[C@]1(C)CCC[NH2+]C1 ZINC001236209157 979448913 /nfs/dbraw/zinc/44/89/13/979448913.db2.gz YHNAPRXXUFCKDZ-OAHLLOKOSA-N 2 0 247.386 1.719 20 0 BDADRP CN(CC1(F)CC[NH2+]CC1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236213757 979452242 /nfs/dbraw/zinc/45/22/42/979452242.db2.gz OPANOWHZCJCQHK-NWDGAFQWSA-N 2 0 243.370 1.280 20 0 BDADRP CN(CC[C@@H]1CCCC[NH2+]1)C1(C)CC[NH2+]CC1 ZINC001236221529 979455019 /nfs/dbraw/zinc/45/50/19/979455019.db2.gz CIFKRUOIFVWQQU-ZDUSSCGKSA-N 2 0 239.407 1.593 20 0 BDADRP C(C1CC[NH2+]CC1)N(C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001236237586 979464743 /nfs/dbraw/zinc/46/47/43/979464743.db2.gz SFGQDJSELPMIMV-CQSZACIVSA-N 2 0 237.391 1.202 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)Nc1ccccc1C[NH3+] ZINC001341572024 979472889 /nfs/dbraw/zinc/47/28/89/979472889.db2.gz ZACAZBDVDZWDSC-LBPRGKRZSA-N 2 0 249.358 1.847 20 0 BDADRP Nc1cccnc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236317447 979531417 /nfs/dbraw/zinc/53/14/17/979531417.db2.gz XROHHROSBRTKJF-TXEJJXNPSA-N 2 0 246.358 1.095 20 0 BDADRP Cc1nc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c[nH]1 ZINC001236320739 979533672 /nfs/dbraw/zinc/53/36/72/979533672.db2.gz CYIMVHDPPIZQTC-TXEJJXNPSA-N 2 0 234.347 1.150 20 0 BDADRP Cc1nc(C)c(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)o1 ZINC001236321079 979533947 /nfs/dbraw/zinc/53/39/47/979533947.db2.gz OOTPYCYTAOUDMF-BETUJISGSA-N 2 0 249.358 1.723 20 0 BDADRP Cc1coc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)n1 ZINC001236321708 979534447 /nfs/dbraw/zinc/53/44/47/979534447.db2.gz WEEULIGUIXHHSW-TXEJJXNPSA-N 2 0 235.331 1.414 20 0 BDADRP [NH3+]CCN(C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236372669 979571751 /nfs/dbraw/zinc/57/17/51/979571751.db2.gz SAHZJANPUDVUMF-LBPRGKRZSA-N 2 0 225.380 1.189 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCCN(c2cccnc2)CC1 ZINC001236432891 979594328 /nfs/dbraw/zinc/59/43/28/979594328.db2.gz FFTCCTWJLAAZOW-UHFFFAOYSA-N 2 0 248.374 1.333 20 0 BDADRP C[NH2+]CCCN(C(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236468982 979602689 /nfs/dbraw/zinc/60/26/89/979602689.db2.gz OOJDWFMHGYUMPV-GFCCVEGCSA-N 2 0 213.369 1.058 20 0 BDADRP [NH3+]CCCCCN(CC[NH3+])Cc1ccccc1 ZINC001236520856 979615659 /nfs/dbraw/zinc/61/56/59/979615659.db2.gz BOKSHBKNHOCGRC-UHFFFAOYSA-N 2 0 235.375 1.576 20 0 BDADRP CC[C@H](N)C[N@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551795 979633585 /nfs/dbraw/zinc/63/35/85/979633585.db2.gz NVJLFSMXXARSBH-IHRRRGAJSA-N 2 0 239.407 1.706 20 0 BDADRP C[C@@H]1CN(Cc2cccc3c[nH+]cn32)C[C@H](C)[NH2+]1 ZINC001236580558 979659063 /nfs/dbraw/zinc/65/90/63/979659063.db2.gz FFNGQJHLWJGUIB-TXEJJXNPSA-N 2 0 244.342 1.517 20 0 BDADRP C([C@H]1CC[NH2+]1)N([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236649306 979689562 /nfs/dbraw/zinc/68/95/62/979689562.db2.gz WBTQKZTXFURDGG-OCCSQVGLSA-N 2 0 237.391 1.345 20 0 BDADRP CC(C)[C@H]([NH3+])CCNC(=O)c1ccccc1C[NH3+] ZINC001342250040 979733832 /nfs/dbraw/zinc/73/38/32/979733832.db2.gz CIZAGONVKNLBBW-CYBMUJFWSA-N 2 0 249.358 1.249 20 0 BDADRP CCCC[NH+]1CCC(N(C)CC[NH3+])CC1 ZINC001236846601 979761398 /nfs/dbraw/zinc/76/13/98/979761398.db2.gz FQYKAAUFAKTSCH-UHFFFAOYSA-N 2 0 213.369 1.141 20 0 BDADRP CC[C@H]([NH3+])C(=O)N1C[C@@H](CC[NH3+])c2ccccc21 ZINC001342299842 979762594 /nfs/dbraw/zinc/76/25/94/979762594.db2.gz IWRRQTPOJBJRPF-PWSUYJOCSA-N 2 0 247.342 1.203 20 0 BDADRP CC[C@H]([NH3+])CN(C)C[C@@H]([NH3+])c1ccccc1 ZINC001236858523 979767415 /nfs/dbraw/zinc/76/74/15/979767415.db2.gz CNPKNUOLVXPDPC-QWHCGFSZSA-N 2 0 221.348 1.356 20 0 BDADRP [NH3+]Cc1ccccc1NC(=O)C[C@@H]1CC[NH2+]C1 ZINC001342341959 979779253 /nfs/dbraw/zinc/77/92/53/979779253.db2.gz YLERVIUECIKYKK-JTQLQIEISA-N 2 0 233.315 1.083 20 0 BDADRP C[C@H]([NH3+])CN(C)Cc1ccc2c(c1)NCCC2 ZINC001236907739 979791583 /nfs/dbraw/zinc/79/15/83/979791583.db2.gz FZQQNZXBZGPMIY-NSHDSACASA-N 2 0 233.359 1.824 20 0 BDADRP CC[C@@H](C)CN(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001236923081 979795829 /nfs/dbraw/zinc/79/58/29/979795829.db2.gz INOVGTQGYPGDRT-ZIAGYGMSSA-N 2 0 241.423 1.648 20 0 BDADRP CCCCCN(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001236922624 979797623 /nfs/dbraw/zinc/79/76/23/979797623.db2.gz HRKKYERUQIIOOI-AWEZNQCLSA-N 2 0 241.423 1.792 20 0 BDADRP C[C@@]1([NH3+])CCCN(Cc2cc(F)ccn2)CC1 ZINC001205281033 979882361 /nfs/dbraw/zinc/88/23/61/979882361.db2.gz OJJSSVHKYFMKBC-CYBMUJFWSA-N 2 0 237.322 1.924 20 0 BDADRP Nc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237416953 979888211 /nfs/dbraw/zinc/88/82/11/979888211.db2.gz RJWOYTIYHGCXOV-HIFRSBDPSA-N 2 0 245.370 1.843 20 0 BDADRP Cc1coc(CN(C)CC2CC[NH+](C)CC2)n1 ZINC001237645681 979997554 /nfs/dbraw/zinc/99/75/54/979997554.db2.gz PZAMPBMELFVVMT-UHFFFAOYSA-N 2 0 237.347 1.757 20 0 BDADRP CC(C)(C)[C@@H]([NH3+])CC(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC001343528269 980142469 /nfs/dbraw/zinc/14/24/69/980142469.db2.gz ZHDDUCQMCWLUNO-VHSXEESVSA-N 2 0 241.379 1.007 20 0 BDADRP Cc1ncncc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC001238167968 980201604 /nfs/dbraw/zinc/20/16/04/980201604.db2.gz FMCRJDUWQRYFPN-UHFFFAOYSA-N 2 0 248.374 1.559 20 0 BDADRP CCN(C(=O)CCC(C)(C)[NH3+])[C@H]1CCC[NH2+]C1 ZINC001343854385 980257160 /nfs/dbraw/zinc/25/71/60/980257160.db2.gz ZGYZVAIBABFCAX-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP [NH3+]Cc1cccc(C2=CCC[NH2+]CC2)c1 ZINC001238940632 980379396 /nfs/dbraw/zinc/37/93/96/980379396.db2.gz SNRLMBCMMGBRHL-UHFFFAOYSA-N 2 0 202.301 1.912 20 0 BDADRP [NH3+]Cc1cc(C2=CCC[NH2+]CC2)ccn1 ZINC001238944364 980380675 /nfs/dbraw/zinc/38/06/75/980380675.db2.gz HFPWFQKQSGSMCU-UHFFFAOYSA-N 2 0 203.289 1.307 20 0 BDADRP Cc1nccc(NC[C@H]2C[NH+]3CCC2CC3)n1 ZINC001187881148 980568880 /nfs/dbraw/zinc/56/88/80/980568880.db2.gz VXCBVQJEGJVRSY-LBPRGKRZSA-N 2 0 232.331 1.539 20 0 BDADRP C[C@@H](c1nc([C@@H]2CCC[NH2+]2)no1)n1ccnc1 ZINC001345930261 980711060 /nfs/dbraw/zinc/71/10/60/980711060.db2.gz HNJWDNHWQCOUGK-IUCAKERBSA-N 2 0 233.275 1.300 20 0 BDADRP [NH3+]Cc1cncc(-c2cccc3c2CC[NH2+]C3)c1 ZINC001239799104 980938672 /nfs/dbraw/zinc/93/86/72/980938672.db2.gz MNZVEIPSSSCJIK-UHFFFAOYSA-N 2 0 239.322 1.853 20 0 BDADRP Cn1ccc(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)n1 ZINC001205546055 980954592 /nfs/dbraw/zinc/95/45/92/980954592.db2.gz PTSABSFZDVQVDL-GFCCVEGCSA-N 2 0 240.326 1.073 20 0 BDADRP C[C@H]1CC[N@H+](Cc2nccn2C)CC[C@H]1C[NH3+] ZINC001205600441 981155475 /nfs/dbraw/zinc/15/54/75/981155475.db2.gz BSOWVDRUGCBFMA-RYUDHWBXSA-N 2 0 236.363 1.227 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2ccccn2)CC[C@H]1C[NH3+] ZINC001205601758 981158963 /nfs/dbraw/zinc/15/89/63/981158963.db2.gz GEBQJEKLJJOSOJ-OLZOCXBDSA-N 2 0 233.359 1.888 20 0 BDADRP CCC1(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)COC1 ZINC001205601321 981159893 /nfs/dbraw/zinc/15/98/93/981159893.db2.gz DKIXKXKCEVDXQU-OLZOCXBDSA-N 2 0 240.391 1.720 20 0 BDADRP C[C@@H]1CCN(C[C@H]2CCCC[NH2+]2)CC[C@H]1C[NH3+] ZINC001205601380 981162352 /nfs/dbraw/zinc/16/23/52/981162352.db2.gz DYVTXRILUUPASZ-HZSPNIEDSA-N 2 0 239.407 1.435 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2cnoc2)CC[C@H]1C[NH3+] ZINC001205601661 981162439 /nfs/dbraw/zinc/16/24/39/981162439.db2.gz FTJHRIKTYKAFTL-PWSUYJOCSA-N 2 0 223.320 1.481 20 0 BDADRP C[C@H]1C[C@H]1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205602415 981163867 /nfs/dbraw/zinc/16/38/67/981163867.db2.gz IWQZNPYRBHTPAE-XQHKEYJVSA-N 2 0 210.365 1.949 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2cncn2C)CC[C@@H]1C[NH3+] ZINC001205602749 981167116 /nfs/dbraw/zinc/16/71/16/981167116.db2.gz MAWCNLWGTBZDQY-VXGBXAGGSA-N 2 0 236.363 1.227 20 0 BDADRP C[C@H]1CC[N@H+](Cc2ccnn2C)CC[C@@H]1C[NH3+] ZINC001205603009 981170140 /nfs/dbraw/zinc/17/01/40/981170140.db2.gz MQXAESKZCAYQIW-NWDGAFQWSA-N 2 0 236.363 1.227 20 0 BDADRP CC[C@H](N)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205604861 981181352 /nfs/dbraw/zinc/18/13/52/981181352.db2.gz YHLOYQBVWGRLNF-WOPDTQHZSA-N 2 0 213.369 1.031 20 0 BDADRP C[C@H]1CC[N@H+](Cc2cccnc2)CC[C@@H]1C[NH3+] ZINC001205604822 981182507 /nfs/dbraw/zinc/18/25/07/981182507.db2.gz XVNUKWPSMGXEBD-GXTWGEPZSA-N 2 0 233.359 1.888 20 0 BDADRP CCCC[N@H+](C)CCNc1ccnc(N)n1 ZINC001347990835 981234815 /nfs/dbraw/zinc/23/48/15/981234815.db2.gz UUOAOTRHZAEICP-UHFFFAOYSA-N 2 0 223.324 1.203 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2cccnn2)CC[C@@H]1C[NH3+] ZINC001205626551 981272456 /nfs/dbraw/zinc/27/24/56/981272456.db2.gz HBXWLCWHWXEKPY-VXGBXAGGSA-N 2 0 234.347 1.283 20 0 BDADRP c1cc(C2=CC[NH2+]CC2)ncc1[C@@H]1CCC[NH2+]1 ZINC001240465186 981394461 /nfs/dbraw/zinc/39/44/61/981394461.db2.gz BBFOYGKVXOIBAU-ZDUSSCGKSA-N 2 0 229.327 1.883 20 0 BDADRP c1cc(C2CC[NH2+]CC2)nc(C2=CC[NH2+]CC2)n1 ZINC001240466190 981398301 /nfs/dbraw/zinc/39/83/01/981398301.db2.gz VQTAPEWHBKLKRH-UHFFFAOYSA-N 2 0 244.342 1.320 20 0 BDADRP C[NH+](C)Cc1cncc(C2=CC[NH2+]CC2)c1 ZINC001240468572 981404322 /nfs/dbraw/zinc/40/43/22/981404322.db2.gz HNOUGHJIORQFKH-UHFFFAOYSA-N 2 0 217.316 1.520 20 0 BDADRP C[C@@]1(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)CCOC1 ZINC000925485084 981448348 /nfs/dbraw/zinc/44/83/48/981448348.db2.gz APTBLJHEUMAGJL-OLZOCXBDSA-N 2 0 238.375 1.677 20 0 BDADRP C[C@H]([NH3+])c1ccc(C2=CCC[NH2+]C2)cn1 ZINC001240670849 981580743 /nfs/dbraw/zinc/58/07/43/981580743.db2.gz NJIGSUQHSNDNGW-VIFPVBQESA-N 2 0 203.289 1.478 20 0 BDADRP OC1(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)CCC1 ZINC001580878015 981668806 /nfs/dbraw/zinc/66/88/06/981668806.db2.gz JUDAMQJNIFCXDB-ZDUSSCGKSA-N 2 0 238.375 1.223 20 0 BDADRP O[C@]1(C[NH2+]CCC2CCCCC2)CC[NH2+]C1 ZINC001580879430 981674677 /nfs/dbraw/zinc/67/46/77/981674677.db2.gz AGKFCGXGJGQCHF-ZDUSSCGKSA-N 2 0 226.364 1.271 20 0 BDADRP O[C@]1(C[NH2+][C@H]2CCC[C@@H](C3CC3)C2)CC[NH2+]C1 ZINC001580880464 981678132 /nfs/dbraw/zinc/67/81/32/981678132.db2.gz PJCQONUTUHVZIB-HZSPNIEDSA-N 2 0 238.375 1.269 20 0 BDADRP O[C@@]1(C[NH2+][C@H]2CCC23CCCC3)CC[NH2+]C1 ZINC001580880738 981682974 /nfs/dbraw/zinc/68/29/74/981682974.db2.gz XDTGQRKXWSHPDS-AAEUAGOBSA-N 2 0 224.348 1.023 20 0 BDADRP OC[C@H](CCF)[NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001580881193 981688444 /nfs/dbraw/zinc/68/84/44/981688444.db2.gz CILMXEBPJJEERY-WVMKXHBISA-N 2 0 244.354 1.217 20 0 BDADRP O[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001580884473 981701194 /nfs/dbraw/zinc/70/11/94/981701194.db2.gz CPKSUZRCJKMAGR-OBPIAQAESA-N 2 0 224.348 1.020 20 0 BDADRP c1cnc([C@H]2CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)cn1 ZINC001580896429 981722006 /nfs/dbraw/zinc/72/20/06/981722006.db2.gz BHEJDHXESMJBFD-STQMWFEESA-N 2 0 246.358 1.266 20 0 BDADRP c1cnc([C@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)nc1 ZINC001580896847 981725686 /nfs/dbraw/zinc/72/56/86/981725686.db2.gz VKISHDWZCUHPHP-ZDUSSCGKSA-N 2 0 246.358 1.266 20 0 BDADRP C[C@@H]([NH3+])CN1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC001351798892 982389618 /nfs/dbraw/zinc/38/96/18/982389618.db2.gz DZLSWDDBTVNYIX-ZYHUDNBSSA-N 2 0 213.369 1.031 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205763899 982414292 /nfs/dbraw/zinc/41/42/92/982414292.db2.gz SPMJKCQAFATPLA-LLVKDONJSA-N 3 0 249.349 1.421 20 0 BDADRP CCN(CCC[NH+](C)C)c1nc(N)cc(C)[nH+]1 ZINC001352012256 982437729 /nfs/dbraw/zinc/43/77/29/982437729.db2.gz PZZZABINMVTLBT-UHFFFAOYSA-N 2 0 237.351 1.145 20 0 BDADRP C[C@H]1CCOCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC001352775831 982572149 /nfs/dbraw/zinc/57/21/49/982572149.db2.gz ATAHNPUPIDXJFK-NWDGAFQWSA-N 2 0 212.337 1.097 20 0 BDADRP C[N@@H+]1CCC=C(c2cccc(C[NH3+])n2)C1 ZINC001241565706 982805785 /nfs/dbraw/zinc/80/57/85/982805785.db2.gz OKJCYQJQVFEUHV-UHFFFAOYSA-N 2 0 203.289 1.259 20 0 BDADRP c1cc2c[nH+]cc(-c3cnn(C4C[NH2+]C4)c3)c2[nH]1 ZINC001241608681 982846334 /nfs/dbraw/zinc/84/63/34/982846334.db2.gz OYOMQPHLSHAPBA-UHFFFAOYSA-N 2 0 239.282 1.571 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC001353634894 982941930 /nfs/dbraw/zinc/94/19/30/982941930.db2.gz ULBUSLOHWNYCIO-SRVKXCTJSA-N 2 0 241.379 1.007 20 0 BDADRP C[C@@H]1C[C@@H](NC(=O)c2ccccc2C[NH3+])CC[NH2+]1 ZINC001353632642 982945107 /nfs/dbraw/zinc/94/51/07/982945107.db2.gz DJSHVLMBEWDTFJ-PWSUYJOCSA-N 2 0 247.342 1.016 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC001353943190 983093408 /nfs/dbraw/zinc/09/34/08/983093408.db2.gz MKLVQBSRAJOOQV-GFCCVEGCSA-N 3 0 247.386 1.420 20 0 BDADRP Cc1cnc(-c2ccc(C[NH3+])cc2)c(C[NH3+])c1 ZINC001241912530 983127608 /nfs/dbraw/zinc/12/76/08/983127608.db2.gz PDENJCZTLGXFTF-UHFFFAOYSA-N 2 0 227.311 1.974 20 0 BDADRP Cc1cc(N[C@H]2C[N@H+](C3CC3)C[C@H]2C)cc[nH+]1 ZINC001354129433 983168117 /nfs/dbraw/zinc/16/81/17/983168117.db2.gz GQSMWNVHINMYSS-YGRLFVJLSA-N 2 0 231.343 1.707 20 0 BDADRP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cccc(C[NH3+])c1 ZINC001205916197 983187807 /nfs/dbraw/zinc/18/78/07/983187807.db2.gz SRAYNWBVCYMSAX-SWLSCSKDSA-N 3 0 247.386 1.705 20 0 BDADRP C[NH+](C)[C@@H]1C[C@H](Nc2nccnc2C[NH3+])C1(C)C ZINC001354227005 983207792 /nfs/dbraw/zinc/20/77/92/983207792.db2.gz UGMBWNOYMCLBDY-WDEREUQCSA-N 2 0 249.362 1.076 20 0 BDADRP CC[C@H](C)C[NH+]1C[C@@H]2C[NH+](CC)C[C@H]2C1 ZINC001201521611 983318365 /nfs/dbraw/zinc/31/83/65/983318365.db2.gz WBKUUKSZGFZTCD-AVGNSLFASA-N 2 0 210.365 1.916 20 0 BDADRP CC(C)([NH3+])c1ccc(NC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC001355601070 983528897 /nfs/dbraw/zinc/52/88/97/983528897.db2.gz VCZIETCKUYZXDX-GFCCVEGCSA-N 2 0 247.342 1.571 20 0 BDADRP C[N@H+](CCN1CC[NH+](C)CC1)CC1CCCC1 ZINC001202178244 983591522 /nfs/dbraw/zinc/59/15/22/983591522.db2.gz PJPLRYXEUPDSLU-UHFFFAOYSA-N 2 0 239.407 1.356 20 0 BDADRP CSC[C@@H](O)C[NH2+]CCC[N@H+](C)CC(C)C ZINC001356622616 983648523 /nfs/dbraw/zinc/64/85/23/983648523.db2.gz URNRCYWZZISBDD-LBPRGKRZSA-N 2 0 248.436 1.278 20 0 BDADRP CCCC[C@H](O)C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC001252108195 983666245 /nfs/dbraw/zinc/66/62/45/983666245.db2.gz MPPXNWIMUIFBFT-OLZOCXBDSA-N 2 0 228.380 1.469 20 0 BDADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N1CCC(C)([NH3+])CC1 ZINC001357457358 983717927 /nfs/dbraw/zinc/71/79/27/983717927.db2.gz IBBOCEZJWVVHBS-WDEREUQCSA-N 2 0 241.379 1.090 20 0 BDADRP CN(C(=O)C[C@@H]([NH3+])C(C)(C)C)C1(C[NH3+])CCC1 ZINC001357473848 983725957 /nfs/dbraw/zinc/72/59/57/983725957.db2.gz HWNIXMJTEXSSDB-SNVBAGLBSA-N 2 0 241.379 1.090 20 0 BDADRP CCC1([NH3+])CCN(C(=O)CC(C)(C)C[NH3+])CC1 ZINC001358043142 983817981 /nfs/dbraw/zinc/81/79/81/983817981.db2.gz DNHSZFFAJPLSEP-UHFFFAOYSA-N 2 0 241.379 1.091 20 0 BDADRP C[C@@H](C(=O)Nc1cccc2c1C[NH2+]C2)[C@H](C)[NH3+] ZINC001358059677 983821520 /nfs/dbraw/zinc/82/15/20/983821520.db2.gz MQNQSMBBZKNSEI-BDAKNGLRSA-N 2 0 233.315 1.212 20 0 BDADRP C[C@@H]([NH3+])[C@H](C)C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001358059678 983822388 /nfs/dbraw/zinc/82/23/88/983822388.db2.gz MQNQSMBBZKNSEI-DTWKUNHWSA-N 2 0 233.315 1.212 20 0 BDADRP C1[NH2+]CC12C[C@@H]([NH2+][C@H]1C[C@@H]3CCCC[C@@H]31)CO2 ZINC001574801191 984116586 /nfs/dbraw/zinc/11/65/86/984116586.db2.gz OEPAEYRPJKQSLK-RNJOBUHISA-N 2 0 236.359 1.286 20 0 BDADRP C[C@@H](O)C[C@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC001576271069 984166099 /nfs/dbraw/zinc/16/60/99/984166099.db2.gz BWHSOZKDHUMHIP-FVCCEPFGSA-N 2 0 226.364 1.077 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)CCC[NH2+]C1 ZINC001576526103 984173140 /nfs/dbraw/zinc/17/31/40/984173140.db2.gz NIHCOBIVIHUMCL-NDBYEHHHSA-N 2 0 224.348 1.286 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)c2nccn21 ZINC001576624649 984176605 /nfs/dbraw/zinc/17/66/05/984176605.db2.gz RYSKMUNIISJLRP-WRWGMCAJSA-N 2 0 234.347 1.606 20 0 BDADRP C[C@H]1C[N@H+](Cc2cc[nH]n2)CCC[C@@H]1C[NH3+] ZINC001205981838 984187290 /nfs/dbraw/zinc/18/72/90/984187290.db2.gz HSENSZPMEIQUOW-WDEREUQCSA-N 2 0 222.336 1.217 20 0 BDADRP CCC[C@@H](C[NH2+][C@](C)(C[NH3+])C(C)C)OC ZINC001577357753 984193271 /nfs/dbraw/zinc/19/32/71/984193271.db2.gz IXBPCSNNDBEKDG-NWDGAFQWSA-N 2 0 216.369 1.765 20 0 BDADRP CCC[N@H+](CCC1C[NH2+]C1)[C@@H](C)C(=O)OCC ZINC001577519245 984199354 /nfs/dbraw/zinc/19/93/54/984199354.db2.gz IVWBWCWUTCXDLD-NSHDSACASA-N 2 0 242.363 1.260 20 0 BDADRP COCC[C@@H]([NH3+])C[NH2+]CCCc1ccco1 ZINC001579003657 984252227 /nfs/dbraw/zinc/25/22/27/984252227.db2.gz KQIXAXQGBRZJPA-LLVKDONJSA-N 2 0 226.320 1.166 20 0 BDADRP c1cc(C2=CC[NH2+]CC2)cc(N2CC[NH2+]CC2)c1 ZINC001240467549 984301790 /nfs/dbraw/zinc/30/17/90/984301790.db2.gz ADJHOJPQRFCDDI-UHFFFAOYSA-N 2 0 243.354 1.473 20 0 BDADRP C/C=C(\NC=[NH2+])c1ccc(C[NH2+]C)cc1 ZINC001242990059 984354250 /nfs/dbraw/zinc/35/42/50/984354250.db2.gz BOFUCICFIXRKEL-BASWHVEKSA-N 2 0 203.289 1.963 20 0 BDADRP C[NH2+]Cc1cccc(-c2ccnc(C[NH3+])c2)c1 ZINC001242996355 984363194 /nfs/dbraw/zinc/36/31/94/984363194.db2.gz XFTIWDNRAYVWCM-UHFFFAOYSA-N 2 0 227.311 1.927 20 0 BDADRP C[NH2+]Cc1cccc(-c2cnc(C[NH3+])nc2)c1 ZINC001242997914 984365923 /nfs/dbraw/zinc/36/59/23/984365923.db2.gz SQQCZWGAWRCAMS-UHFFFAOYSA-N 2 0 228.299 1.322 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+][C@@H]1CCC[C@H]1CCO)C2 ZINC001580165948 984405229 /nfs/dbraw/zinc/40/52/29/984405229.db2.gz OCIRFTDKTIJUGK-FDVIIKHLSA-N 2 0 224.348 1.007 20 0 BDADRP CC[C@H](C)C[NH+]1CC2(CN(CC[NH+](C)C)C2)C1 ZINC001275066077 984466268 /nfs/dbraw/zinc/46/62/68/984466268.db2.gz QGZWIQSWLNULKJ-ZDUSSCGKSA-N 2 0 239.407 1.212 20 0 BDADRP CCCC[N@@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001275118235 984491608 /nfs/dbraw/zinc/49/16/08/984491608.db2.gz TYVASQRAJZEXRS-UONOGXRCSA-N 2 0 239.407 1.354 20 0 BDADRP [NH3+][C@H]1CCN(Cc2ccccc2C2=CC[NH2+]C2)C1 ZINC001243111769 984578198 /nfs/dbraw/zinc/57/81/98/984578198.db2.gz OGUTULWPFYBDNT-AWEZNQCLSA-N 2 0 243.354 1.206 20 0 BDADRP C[C@@H]1CC(N(CC[NH3+])CC[NH3+])C[C@@H](C)C1 ZINC000719350922 984630894 /nfs/dbraw/zinc/63/08/94/984630894.db2.gz XTPOARWFWSUSSN-QWRGUYRKSA-N 2 0 213.369 1.031 20 0 BDADRP CC[NH+](CC)[C@H](C)CNC(=O)[C@@](C)(CC)C[NH3+] ZINC001577697941 984641716 /nfs/dbraw/zinc/64/17/16/984641716.db2.gz XYIAVCYSIRKEOH-YPMHNXCESA-N 2 0 243.395 1.208 20 0 BDADRP CC[NH+]1CCC(CN(C)[C@H]2CC[NH2+]C2)CC1 ZINC001577764317 984732089 /nfs/dbraw/zinc/73/20/89/984732089.db2.gz XLYDMLNHNMWXOC-ZDUSSCGKSA-N 2 0 225.380 1.012 20 0 BDADRP CC[NH+]1CCC(CN2C[C@H]3CC[NH2+]C[C@H]32)CC1 ZINC001577763994 984734243 /nfs/dbraw/zinc/73/42/43/984734243.db2.gz ODKUEGZPIJKBOC-ZIAGYGMSSA-N 2 0 237.391 1.012 20 0 BDADRP CCOC(=O)C1=CC[C@@H]([NH2+]CC(C)(C)C[NH3+])C1 ZINC001577932364 984821979 /nfs/dbraw/zinc/82/19/79/984821979.db2.gz OKDGUDXUNOQIFN-LLVKDONJSA-N 2 0 240.347 1.213 20 0 BDADRP CCOC(=O)C1(C)CC([NH2+][C@@H](C)CC[NH3+])C1 ZINC001577925205 984822323 /nfs/dbraw/zinc/82/23/23/984822323.db2.gz FYULVGCANHSVMG-BMQDGWLCSA-N 2 0 228.336 1.045 20 0 BDADRP CCOC(=O)C[C@@](C)([NH2+]C[C@@H](C)[NH3+])C(C)C ZINC001577939319 984822742 /nfs/dbraw/zinc/82/27/42/984822742.db2.gz CVMOUDUGIYRXSP-ZYHUDNBSSA-N 2 0 230.352 1.291 20 0 BDADRP CCOC1CC([N@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001578087953 984846181 /nfs/dbraw/zinc/84/61/81/984846181.db2.gz WTWIEHXZTHXPEZ-FEPKRQSRSA-N 2 0 240.391 1.874 20 0 BDADRP CCO[C@H]1CCC[C@@H]([NH2+][C@H]2C[C@H]([NH3+])C2)C1 ZINC001578097681 984848117 /nfs/dbraw/zinc/84/81/17/984848117.db2.gz HHISLBIBJALRRL-KKOKHZNYSA-N 2 0 212.337 1.413 20 0 BDADRP CCO[C@H]1CCC[C@H]([NH2+]CCOCCC[NH3+])C1 ZINC001578097931 984848186 /nfs/dbraw/zinc/84/81/86/984848186.db2.gz NKPZUIOXTZQLFZ-STQMWFEESA-N 2 0 244.379 1.289 20 0 BDADRP CCO[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]([NH3+])CCOC ZINC001578149120 984858398 /nfs/dbraw/zinc/85/83/98/984858398.db2.gz VONPDFDENFAKBO-YNEHKIRRSA-N 2 0 244.379 1.288 20 0 BDADRP CC[C@H](O)C[NH+]1CCC2(CCC[C@H]2C[NH3+])CC1 ZINC001578234187 984885947 /nfs/dbraw/zinc/88/59/47/984885947.db2.gz NBSNIBKPPFJDRY-STQMWFEESA-N 2 0 240.391 1.598 20 0 BDADRP CCc1ccc2c(c1)CC[N@@H+](C[C@](C)(O)C[NH3+])C2 ZINC001578263736 984915689 /nfs/dbraw/zinc/91/56/89/984915689.db2.gz VBBNGJPCVGWUOT-OAHLLOKOSA-N 2 0 248.370 1.317 20 0 BDADRP CCn1ccc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)n1 ZINC001578353644 984988841 /nfs/dbraw/zinc/98/88/41/984988841.db2.gz NWRKSAPRNBTRLP-LLVKDONJSA-N 2 0 222.336 1.074 20 0 BDADRP CCC[C@H](C)CC[C@@H](C)[NH2+]C[C@H](O)C[NH3+] ZINC001257462554 985072184 /nfs/dbraw/zinc/07/21/84/985072184.db2.gz CWMZXIWPYKJFBE-QJPTWQEYSA-N 2 0 216.369 1.501 20 0 BDADRP CN(C)c1cccc(CN2CC[C@](C)(C[NH3+])C2)n1 ZINC001578427266 985058908 /nfs/dbraw/zinc/05/89/08/985058908.db2.gz OIFYHOXATBADER-CQSZACIVSA-N 2 0 248.374 1.318 20 0 BDADRP C[N@H+](C[C@H]1CC1(C)C)C[C@]1(O)CCC[NH2+]C1 ZINC001578448145 985082854 /nfs/dbraw/zinc/08/28/54/985082854.db2.gz LHKIYMSHLXBTJH-YPMHNXCESA-N 2 0 226.364 1.079 20 0 BDADRP C[N@H+](CCCn1ccnc1)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578468965 985098223 /nfs/dbraw/zinc/09/82/23/985098223.db2.gz UUQFHKVACIBTCL-QWHCGFSZSA-N 2 0 236.363 1.332 20 0 BDADRP C[N@H+](Cc1ccccc1)C1CN(CC2C[NH2+]C2)C1 ZINC001578494473 985122813 /nfs/dbraw/zinc/12/28/13/985122813.db2.gz ZHQDNGKYOXLPFK-UHFFFAOYSA-N 2 0 245.370 1.022 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@@H](NCC3(C[NH3+])CCC3)[C@@H]2C1 ZINC001578521566 985141366 /nfs/dbraw/zinc/14/13/66/985141366.db2.gz XCMIMKYHJFBELL-YNEHKIRRSA-N 2 0 237.391 1.045 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CC(CC[NH3+])C3)[C@H]2C1 ZINC001578520898 985142195 /nfs/dbraw/zinc/14/21/95/985142195.db2.gz IUETXAKSZHUIJN-YCKYNJIMSA-N 3 0 237.391 1.044 20 0 BDADRP CN1CCC[C@@H]([NH2+]C[C@@H]2CCC[NH2+]CC2)C1 ZINC001578528643 985154012 /nfs/dbraw/zinc/15/40/12/985154012.db2.gz KCTULFAYXKNPIU-CHWSQXEVSA-N 2 0 225.380 1.060 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CNC[C@H]([NH3+])CCC(C)(C)C ZINC001578530211 985155232 /nfs/dbraw/zinc/15/52/32/985155232.db2.gz BYYRSXQVFYJPDR-CHWSQXEVSA-N 2 0 241.423 1.824 20 0 BDADRP C[N@@H+]1CCC[C@H](Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC001578528479 985157743 /nfs/dbraw/zinc/15/77/43/985157743.db2.gz IAIMJAXSTFTVFH-AWEZNQCLSA-N 2 0 231.343 1.796 20 0 BDADRP CN1CCC[C@H]([NH2+]C[C@H]2CCC[NH2+]CC2)C1 ZINC001578528648 985158169 /nfs/dbraw/zinc/15/81/69/985158169.db2.gz KCTULFAYXKNPIU-STQMWFEESA-N 2 0 225.380 1.060 20 0 BDADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C2CC3(C[C@H]3[NH3+])C2)C1 ZINC001578528642 985158250 /nfs/dbraw/zinc/15/82/50/985158250.db2.gz IYLVNWJXJSLCAD-RJZJGCCBSA-N 3 0 237.391 1.188 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@]2(C)CCCCO2)C1 ZINC001578657300 985269408 /nfs/dbraw/zinc/26/94/08/985269408.db2.gz UVANSRMGNNFYOJ-KBPBESRZSA-N 2 0 240.391 1.877 20 0 BDADRP CO[C@@H]1CC[C@H](C)[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000687214323 985271858 /nfs/dbraw/zinc/27/18/58/985271858.db2.gz IXAJRMMHBFTJBG-BFHYXJOUSA-N 2 0 240.391 1.875 20 0 BDADRP C[NH2+]CC[C@H]1CCCC[N@@H+]1C[C@H](O)CSC ZINC001578677183 985291179 /nfs/dbraw/zinc/29/11/79/985291179.db2.gz YNGPPRDAFJNLIQ-NEPJUHHUSA-N 2 0 246.420 1.174 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCCC[C@]12CCOC2 ZINC001578687065 985294616 /nfs/dbraw/zinc/29/46/16/985294616.db2.gz JILWKVWTLHSJGJ-GFCCVEGCSA-N 2 0 212.337 1.241 20 0 BDADRP C[NH2+]CCC[N@@H+]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001578687242 985297980 /nfs/dbraw/zinc/29/79/80/985297980.db2.gz SIJDXNQYEKKYFI-DTWKUNHWSA-N 2 0 204.264 1.183 20 0 BDADRP COC(=O)C(C)(C)CC[NH2+]C1CC(CC[NH3+])C1 ZINC001578766209 985333523 /nfs/dbraw/zinc/33/35/23/985333523.db2.gz DFWQAEHUHNOJIZ-UHFFFAOYSA-N 2 0 242.363 1.293 20 0 BDADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001578788336 985357819 /nfs/dbraw/zinc/35/78/19/985357819.db2.gz IZIXQOSYRKHUDJ-QCNOEVLYSA-N 2 0 240.347 1.045 20 0 BDADRP COC(=O)CC1CC([NH2+]CCC2(C[NH3+])CC2)C1 ZINC001578803720 985372762 /nfs/dbraw/zinc/37/27/62/985372762.db2.gz XOGSOJMPOXJNBC-UHFFFAOYSA-N 2 0 240.347 1.047 20 0 BDADRP COC(=O)C[N@H+](CC(C)C)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578812318 985383537 /nfs/dbraw/zinc/38/35/37/985383537.db2.gz PBUAIWHHSAKPBN-NWDGAFQWSA-N 2 0 242.363 1.245 20 0 BDADRP C[NH+](C)C[C@H]1CC[N@H+](CCCCCCO)C1 ZINC000687796681 985387356 /nfs/dbraw/zinc/38/73/56/985387356.db2.gz KCWFDBRLWWFXMX-CYBMUJFWSA-N 2 0 228.380 1.423 20 0 BDADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC001578816186 985390392 /nfs/dbraw/zinc/39/03/92/985390392.db2.gz VDNAPXJKMMSOMK-PWSUYJOCSA-N 2 0 240.347 1.060 20 0 BDADRP COC(=O)[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578832588 985407659 /nfs/dbraw/zinc/40/76/59/985407659.db2.gz FBNIMZQJPSOBTM-QCNOEVLYSA-N 2 0 240.347 1.045 20 0 BDADRP C[C@@H]1COC[C@H]1[NH2+]CC(C)(C)C[NH+](C)C ZINC000687974821 985433332 /nfs/dbraw/zinc/43/33/32/985433332.db2.gz RVJIPPXUJMUGNU-GHMZBOCLSA-N 2 0 214.353 1.199 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC001578897772 985435097 /nfs/dbraw/zinc/43/50/97/985435097.db2.gz YQZHIAXYGKNBSX-JLIMGVALSA-N 2 0 200.326 1.125 20 0 BDADRP CO[C@@H](C)[C@H](C)[NH2+]C1CC2(CC([NH3+])C2)C1 ZINC001578897065 985475799 /nfs/dbraw/zinc/47/57/99/985475799.db2.gz SNFAUITVXAMTDP-YXDSCYIXSA-N 2 0 212.337 1.269 20 0 BDADRP CO[C@@](C)(C[N@H+](C)C1CC([NH3+])C1)C1CC1 ZINC001578898345 985480084 /nfs/dbraw/zinc/48/00/84/985480084.db2.gz XIKDPIFDMSRKFJ-MCIGGMRASA-N 2 0 212.337 1.223 20 0 BDADRP CO[C@@H]([C@H](C)[NH2+]C1CC2(C[C@@H]2[NH3+])C1)C1CC1 ZINC001578902295 985490357 /nfs/dbraw/zinc/49/03/57/985490357.db2.gz ZATKMNWJPZTFPI-NSNFXXARSA-N 2 0 224.348 1.269 20 0 BDADRP C[C@@H]1COC[C@@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000688026153 985499388 /nfs/dbraw/zinc/49/93/88/985499388.db2.gz UHCYQBWLRGKUTH-YPMHNXCESA-N 2 0 240.391 1.874 20 0 BDADRP COC1(C[NH2+]CC2([NH3+])CCCC2)CCC1 ZINC001578930896 985536818 /nfs/dbraw/zinc/53/68/18/985536818.db2.gz ZZBNOXLMBSBKQX-UHFFFAOYSA-N 2 0 212.337 1.417 20 0 BDADRP COC1(C[NH2+][C@](C)(C[NH3+])C(C)C)CCC1 ZINC001578930056 985530853 /nfs/dbraw/zinc/53/08/53/985530853.db2.gz OBQBCVLNPNZABU-LLVKDONJSA-N 2 0 214.353 1.519 20 0 BDADRP COC1(C[NH2+]CC2([NH3+])CC2)CCCCC1 ZINC001578930539 985533971 /nfs/dbraw/zinc/53/39/71/985533971.db2.gz UWXMZGUVGTXRFB-UHFFFAOYSA-N 2 0 212.337 1.417 20 0 BDADRP COC1(C[NH2+][C@H]2C[C@H]([NH3+])C2)CCCCCC1 ZINC001578929864 985537605 /nfs/dbraw/zinc/53/76/05/985537605.db2.gz LMQAHMKUFQSVFV-HAQNSBGRSA-N 2 0 226.364 1.805 20 0 BDADRP COC1(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])CCC1 ZINC001578930551 985539323 /nfs/dbraw/zinc/53/93/23/985539323.db2.gz UEUMADCPXXDNPM-GHMZBOCLSA-N 2 0 212.337 1.415 20 0 BDADRP CO[C@H]1C[C@@H]([NH2+][C@H]2C[C@H]([NH3+])C2)C12CCC2 ZINC001578935836 985540858 /nfs/dbraw/zinc/54/08/58/985540858.db2.gz LHACVNJMVCAWTD-DBIOUOCHSA-N 2 0 210.321 1.023 20 0 BDADRP CO[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H]([NH3+])C2)C12CCC2 ZINC001578935838 985543629 /nfs/dbraw/zinc/54/36/29/985543629.db2.gz LHACVNJMVCAWTD-LMLFDSFASA-N 2 0 210.321 1.023 20 0 BDADRP CO[C@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C1 ZINC001578939188 985557475 /nfs/dbraw/zinc/55/74/75/985557475.db2.gz YAINQGKBZYCDBO-NNYUYHANSA-N 2 0 212.337 1.413 20 0 BDADRP COC[C@@H](C)C[NH2+]C[C@@H]1CCC[NH2+]CC1 ZINC001578957492 985578787 /nfs/dbraw/zinc/57/87/87/985578787.db2.gz OUSXCSKFGVMHBW-NWDGAFQWSA-N 2 0 214.353 1.248 20 0 BDADRP COC[C@H](C[NH2+]C[C@H]([NH3+])CCC(C)(C)C)OC ZINC001578961311 985586179 /nfs/dbraw/zinc/58/61/79/985586179.db2.gz HHSHXVFBAUPLTA-NEPJUHHUSA-N 2 0 246.395 1.391 20 0 BDADRP COC[C@@H]([NH2+]C[C@@H]([NH3+])CC(F)F)C(C)C ZINC001578970600 985607751 /nfs/dbraw/zinc/60/77/51/985607751.db2.gz YFVYFJXVSFYIJV-DTWKUNHWSA-N 2 0 224.295 1.230 20 0 BDADRP COCC[C@H](C)C[NH2+]CC1(C[NH3+])CCC1 ZINC001578994301 985624064 /nfs/dbraw/zinc/62/40/64/985624064.db2.gz FCKFWJLWBLTVQJ-NSHDSACASA-N 2 0 214.353 1.378 20 0 BDADRP COCC[C@@H]([NH3+])C[NH2+][C@H](COC)CC(C)(C)C ZINC001579000672 985649357 /nfs/dbraw/zinc/64/93/57/985649357.db2.gz AOAIFUQTBFXVSO-NEPJUHHUSA-N 2 0 246.395 1.391 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)CCc1nccs1 ZINC000688698637 985707816 /nfs/dbraw/zinc/70/78/16/985707816.db2.gz LQQSMEWEASOJES-MNOVXSKESA-N 2 0 239.388 1.473 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](CCO[C@H]2CC2(F)F)C1 ZINC000689031139 985791393 /nfs/dbraw/zinc/79/13/93/985791393.db2.gz XUYZEQSPWXVPQF-UWVGGRQHSA-N 2 0 234.290 1.081 20 0 BDADRP CO[C@H]1c2ccccc2C[C@H]1[NH2+]CC1C[NH2+]C1 ZINC001579132633 985808239 /nfs/dbraw/zinc/80/82/39/985808239.db2.gz DZAQHKSTLKZYDU-KGLIPLIRSA-N 2 0 232.327 1.108 20 0 BDADRP CO[C@H]1C[C@@H]([N@H+](C)C[C@H](C[NH3+])C(C)C)C1 ZINC001579133776 985810443 /nfs/dbraw/zinc/81/04/43/985810443.db2.gz XVWMIHUAQOTHQK-SDDRHHMPSA-N 2 0 214.353 1.327 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@H](C)CCC(=O)OC ZINC001258344747 985818411 /nfs/dbraw/zinc/81/84/11/985818411.db2.gz BOVSIGJDVBIDNI-GFCCVEGCSA-N 2 0 244.379 1.650 20 0 BDADRP COc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])C2)cc1 ZINC001579218011 985819877 /nfs/dbraw/zinc/81/98/77/985819877.db2.gz MVVVUIGTOUCDAO-PHIMTYICSA-N 2 0 206.289 1.275 20 0 BDADRP COc1ccc(C[NH2+]C[C@H]2CC[C@@H]([NH3+])C2)nc1 ZINC001579218136 985821596 /nfs/dbraw/zinc/82/15/96/985821596.db2.gz VJIUFMWHGPNZBD-WDEREUQCSA-N 2 0 235.331 1.307 20 0 BDADRP COc1ccnc(CN2C[C@H]3CC[NH2+]C[C@H]3C2)c1 ZINC001579317111 985835299 /nfs/dbraw/zinc/83/52/99/985835299.db2.gz JMSLPHVWRUDUHV-NEPJUHHUSA-N 2 0 247.342 1.132 20 0 BDADRP CSC1(C[NH2+]CCC2([NH3+])CCOCC2)CC1 ZINC001579364835 985859591 /nfs/dbraw/zinc/85/95/91/985859591.db2.gz CAOPUWNCWLBODZ-UHFFFAOYSA-N 2 0 244.404 1.370 20 0 BDADRP CS[C@H]1CC[C@H]1N[C@@H]1C[NH2+]C[C@H]1C ZINC001579366683 985862412 /nfs/dbraw/zinc/86/24/12/985862412.db2.gz AJDIKKQTPMJJHT-KYXWUPHJSA-N 2 0 200.351 1.078 20 0 BDADRP CCOC(=O)CC[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206606368 985899419 /nfs/dbraw/zinc/89/94/19/985899419.db2.gz MATZPDFJDWHZKJ-NSHDSACASA-N 2 0 228.336 1.000 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@H](c2cnccn2)C1 ZINC001579454437 985940091 /nfs/dbraw/zinc/94/00/91/985940091.db2.gz CFFKJCJWCRWDRR-UPJWGTAASA-N 2 0 246.358 1.121 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@](C)(O)CC1 ZINC001579454517 985943100 /nfs/dbraw/zinc/94/31/00/985943100.db2.gz ILHRYYWRBLYBGI-FRRDWIJNSA-N 2 0 226.364 1.079 20 0 BDADRP [NH3+]CCOc1cccc(-c2ccc(C[NH3+])nc2)c1 ZINC001244325263 985950781 /nfs/dbraw/zinc/95/07/81/985950781.db2.gz RGNNOYIXZZPNED-UHFFFAOYSA-N 2 0 243.310 1.545 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001579454729 985951416 /nfs/dbraw/zinc/95/14/16/985951416.db2.gz YNIHFIVCFKDTDJ-RFGFWPKPSA-N 2 0 238.375 1.343 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC001579454723 985951498 /nfs/dbraw/zinc/95/14/98/985951498.db2.gz XXSNCHCGNXSUJC-SYQHCUMBSA-N 2 0 238.375 1.200 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)C[C@H]1CCCC[C@@H]1O ZINC001579454711 985951711 /nfs/dbraw/zinc/95/17/11/985951711.db2.gz XMGIJTUYPUXTQP-MQYQWHSLSA-N 2 0 240.391 1.325 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H](C1CC1)C(C)(C)CO ZINC001579459820 985957566 /nfs/dbraw/zinc/95/75/66/985957566.db2.gz ZMKUAENOJSFCKA-KGYLQXTDSA-N 2 0 240.391 1.229 20 0 BDADRP C[C@H]([NH2+]C[C@@H](O)CC[NH3+])c1ccc(F)c(F)c1 ZINC001579485861 986008824 /nfs/dbraw/zinc/00/88/24/986008824.db2.gz UQLFKRTYQRFJBE-WPRPVWTQSA-N 2 0 244.285 1.325 20 0 BDADRP C[N@H+]1CC[C@H]2C[NH+](Cc3ncccn3)C[C@H]2CC1 ZINC001276334851 986029755 /nfs/dbraw/zinc/02/97/55/986029755.db2.gz SXOFSEUPZCKNCK-BETUJISGSA-N 2 0 246.358 1.250 20 0 BDADRP C[C@H]1[NH2+]CC[C@@H]1N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC001579505244 986045729 /nfs/dbraw/zinc/04/57/29/986045729.db2.gz RJYJAVRJNWTNQH-WOPDTQHZSA-N 2 0 225.380 1.199 20 0 BDADRP Cc1c(Cl)cccc1CN(C)C[C@@H](O)C[NH3+] ZINC001579535354 986071546 /nfs/dbraw/zinc/07/15/46/986071546.db2.gz MBUUPNLXFHZJCP-NSHDSACASA-N 2 0 242.750 1.400 20 0 BDADRP Cc1c[nH]c(=O)c(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC001579544253 986072211 /nfs/dbraw/zinc/07/22/11/986072211.db2.gz UFLXMGISGRBJJI-GFCCVEGCSA-N 2 0 235.331 1.327 20 0 BDADRP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc(C)n1 ZINC001579598407 986112767 /nfs/dbraw/zinc/11/27/67/986112767.db2.gz UHNMUXWRVPZODH-QMTHXVAHSA-N 2 0 233.359 1.725 20 0 BDADRP Cc1cc(C[NH2+]C[C@H]2[C@@H]3C[NH2+]C[C@H]23)cc(C)n1 ZINC001579601320 986124061 /nfs/dbraw/zinc/12/40/61/986124061.db2.gz OFYLSASXFUBUKZ-ZSOGYDGISA-N 2 0 231.343 1.253 20 0 BDADRP COCC(C)(C)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001461829121 986199342 /nfs/dbraw/zinc/19/93/42/986199342.db2.gz KTWUGHDCQMHURJ-JHJVBQTASA-N 2 0 240.391 1.589 20 0 BDADRP Cc1cccc(C)c1C[N@@H+](C)C[C@@]1(O)CC[NH2+]C1 ZINC001579754652 986209300 /nfs/dbraw/zinc/20/93/00/986209300.db2.gz KHTOWLHGPFAFIN-OAHLLOKOSA-N 2 0 248.370 1.460 20 0 BDADRP Cc1ccncc1CC[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC001579814845 986234424 /nfs/dbraw/zinc/23/44/24/986234424.db2.gz PYHWQJPEYDJDRL-QWHCGFSZSA-N 2 0 233.359 1.648 20 0 BDADRP Cc1ncc(C[NH2+]CC[C@@H]2CCC[NH2+]CC2)cn1 ZINC001579877838 986294222 /nfs/dbraw/zinc/29/42/22/986294222.db2.gz FESNSEVUTHPYEK-CYBMUJFWSA-N 2 0 248.374 1.654 20 0 BDADRP Cc1ncc(C[NH2+]C2CC3(CC([NH3+])C3)C2)cn1 ZINC001579878421 986294599 /nfs/dbraw/zinc/29/45/99/986294599.db2.gz OVKWXRRWLJZTBX-UHFFFAOYSA-N 2 0 232.331 1.145 20 0 BDADRP Cc1ncc(C[NH2+]C[C@@H]2CCC[NH2+]CC2)n1C ZINC001579878446 986295923 /nfs/dbraw/zinc/29/59/23/986295923.db2.gz PNKLBGDYMJMKMN-GFCCVEGCSA-N 2 0 236.363 1.208 20 0 BDADRP Cc1ncc(CN[C@]23CCC[C@H]2[NH2+]CC3)n1C ZINC001579878547 986297794 /nfs/dbraw/zinc/29/77/94/986297794.db2.gz RNEBLHPGQNSXKE-OLZOCXBDSA-N 2 0 234.347 1.103 20 0 BDADRP Cc1noc([C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C(C)C)n1 ZINC001579917384 986337806 /nfs/dbraw/zinc/33/78/06/986337806.db2.gz XBHJNRHPVIFSRM-AXFHLTTASA-N 2 0 238.335 1.402 20 0 BDADRP OCCCCC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000710016904 986358935 /nfs/dbraw/zinc/35/89/35/986358935.db2.gz RYXPOKAHJMEMNM-ZDUSSCGKSA-N 2 0 226.364 1.225 20 0 BDADRP Cn1cc(C(C)(C)[NH2+]C[C@H]2CC[C@@H]([NH3+])C2)cn1 ZINC001579954407 986364240 /nfs/dbraw/zinc/36/42/40/986364240.db2.gz GEMOOPVXGBUVGT-CMPLNLGQSA-N 2 0 236.363 1.372 20 0 BDADRP Cn1cc([C@@H]2C[C@H]2C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)cn1 ZINC001579970479 986374707 /nfs/dbraw/zinc/37/47/07/986374707.db2.gz XUGJOZTZUOHTEN-WKSBVSIWSA-N 2 0 248.374 1.239 20 0 BDADRP Cn1cc([C@@H]2C[C@H]2C[NH2+]CCC2(C[NH3+])CC2)cn1 ZINC001579969691 986376399 /nfs/dbraw/zinc/37/63/99/986376399.db2.gz LQOMCAVPDPOQSS-WCQYABFASA-N 2 0 248.374 1.242 20 0 BDADRP Cn1cnc2cc(C[NH2+][C@H]3C[C@@H]([NH3+])C3)ccc21 ZINC001579985089 986387530 /nfs/dbraw/zinc/38/75/30/986387530.db2.gz PKBDIJGGGGEFBL-PHIMTYICSA-N 2 0 230.315 1.153 20 0 BDADRP Cn1nccc1C[C@@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC001580013060 986412782 /nfs/dbraw/zinc/41/27/82/986412782.db2.gz KLNPSUCCXZFVCZ-OCCSQVGLSA-N 2 0 248.374 1.037 20 0 BDADRP C[C@]1(C[NH3+])CCCC[N@H+](Cc2cccc(N)n2)C1 ZINC001206566245 986424098 /nfs/dbraw/zinc/42/40/98/986424098.db2.gz ZARMVJYYFJQFEK-CQSZACIVSA-N 2 0 248.374 1.615 20 0 BDADRP CSC1(C[NH2+]C[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001462632712 986468068 /nfs/dbraw/zinc/46/80/68/986468068.db2.gz FEXWWOZSKDMLPK-LBPRGKRZSA-N 2 0 240.416 1.813 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001462662592 986489651 /nfs/dbraw/zinc/48/96/51/986489651.db2.gz CXPNCRDIXHMUSA-OBPIAQAESA-N 2 0 226.364 1.340 20 0 BDADRP FC1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000689418549 986590260 /nfs/dbraw/zinc/59/02/60/986590260.db2.gz FGYFIKHUWVQLJI-SNVBAGLBSA-N 2 0 200.301 1.420 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](O)C23CCC3)C12CCC2 ZINC001580165355 986635150 /nfs/dbraw/zinc/63/51/50/986635150.db2.gz UPNRGUAOVAUTDW-KXNHARMFSA-N 2 0 236.359 1.149 20 0 BDADRP C[C@@H]1CC[N@@H+]([C@@H]2CCC[NH+](C)CC2)C[C@H]1O ZINC001254517062 986648888 /nfs/dbraw/zinc/64/88/88/986648888.db2.gz RTDCHAXKPOOWOS-JHJVBQTASA-N 2 0 226.364 1.173 20 0 BDADRP C[C@@H]1CC[N@@H+]([C@@H]2CCC[NH+](C)CC2)CC[C@@H]1O ZINC001254515911 986650020 /nfs/dbraw/zinc/65/00/20/986650020.db2.gz GKLQYANRTFLHIT-MCIONIFRSA-N 2 0 240.391 1.564 20 0 BDADRP [NH3+]CC1(C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)CCC1 ZINC001580244450 986693825 /nfs/dbraw/zinc/69/38/25/986693825.db2.gz XRKWUBBNIZUDCK-GXTWGEPZSA-N 2 0 238.375 1.210 20 0 BDADRP [NH3+]CC12CCC(CC1)[N@@H+]2C[C@H]1C[C@]12CCOC2 ZINC001580248099 986703158 /nfs/dbraw/zinc/70/31/58/986703158.db2.gz GVHMHSFQKNJTRA-ZIHBUVQPSA-N 2 0 236.359 1.369 20 0 BDADRP [NH3+]C[C@@]12CN(Cc3c[nH]cn3)C[C@H]1CCCC2 ZINC001580256903 986710587 /nfs/dbraw/zinc/71/05/87/986710587.db2.gz ZOXQHRWNIHMLCE-YPMHNXCESA-N 2 0 234.347 1.361 20 0 BDADRP [NH3+]CC[C@H](O)C[N@H+](CCc1ccccc1)C1CC1 ZINC001580284665 986734597 /nfs/dbraw/zinc/73/45/97/986734597.db2.gz NNQRGJMPYKBTPD-HNNXBMFYSA-N 2 0 248.370 1.403 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(=O)[nH]c3)C[C@@H]2C1 ZINC001139467696 986754716 /nfs/dbraw/zinc/75/47/16/986754716.db2.gz MBSHMTHAMJKXAM-OLZOCXBDSA-N 2 0 247.342 1.171 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2CCC[C@@H]2CCO)C1 ZINC001580389486 986816482 /nfs/dbraw/zinc/81/64/82/986816482.db2.gz JVTJJZSGYKEKSB-LOWDOPEQSA-N 2 0 226.364 1.255 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+]Cc2cccnc2Cl)C1 ZINC001580389160 986816555 /nfs/dbraw/zinc/81/65/55/986816555.db2.gz BBHMFNWJOAEMSS-GXSJLCMTSA-N 2 0 239.750 1.952 20 0 BDADRP C[C@@H]1CC[C@@H](N2CC[C@@]3(CC[N@H+](C)C3)C2)C[NH2+]1 ZINC000383901635 986831477 /nfs/dbraw/zinc/83/14/77/986831477.db2.gz NSIXZRCILUOBGP-MGPQQGTHSA-N 2 0 237.391 1.155 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccn2C2CC2)C1 ZINC001580431717 986835046 /nfs/dbraw/zinc/83/50/46/986835046.db2.gz SOCZNIAQZDQQDQ-MGCOHNPYSA-N 2 0 205.305 1.402 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCC3)nc2)C1 ZINC001580422912 986839041 /nfs/dbraw/zinc/83/90/41/986839041.db2.gz HSYSAIHVZDXMCQ-BETUJISGSA-N 2 0 246.358 1.261 20 0 BDADRP CC(C)N(C[C@@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]CC1 ZINC001206583327 986904388 /nfs/dbraw/zinc/90/43/88/986904388.db2.gz SPGHGNDDKYAOOZ-UONOGXRCSA-N 2 0 239.407 1.591 20 0 BDADRP CC(C)N(C[C@H]1CCC[NH2+]1)[C@H]1CCC[NH2+]CC1 ZINC001206583325 986907516 /nfs/dbraw/zinc/90/75/16/986907516.db2.gz SPGHGNDDKYAOOZ-KGLIPLIRSA-N 2 0 239.407 1.591 20 0 BDADRP CCCC[N@H+](C)CCCN[C@H]1CC[NH+](C)C1 ZINC001255412126 986935002 /nfs/dbraw/zinc/93/50/02/986935002.db2.gz PPDQJVFXKZLSDZ-ZDUSSCGKSA-N 2 0 227.396 1.402 20 0 BDADRP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3CCOC(C)(C)C3)C[C@@H]2C1 ZINC001255547883 987001980 /nfs/dbraw/zinc/00/19/80/987001980.db2.gz XKRRGUUKHAWJHM-FRRDWIJNSA-N 2 0 238.375 1.437 20 0 BDADRP O=C(Nc1ccc2c[nH+]cn2c1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC001580774123 987034514 /nfs/dbraw/zinc/03/45/14/987034514.db2.gz OZQHQFHBCDWNQQ-FXAINCCUSA-N 2 0 242.282 1.023 20 0 BDADRP C[C@@H]([NH3+])c1ccn(C2CC[NH+](C3CC3)CC2)n1 ZINC001256068712 987122412 /nfs/dbraw/zinc/12/24/12/987122412.db2.gz GEDXOSDVPYYNLY-SNVBAGLBSA-N 2 0 234.347 1.702 20 0 BDADRP CC(C)(C)[C@H](O)C[NH2+]CC1([NH3+])CCCC1 ZINC001245972974 987245630 /nfs/dbraw/zinc/24/56/30/987245630.db2.gz FZWZRTJLFYBHFP-SNVBAGLBSA-N 2 0 214.353 1.255 20 0 BDADRP CCC[C@@H](O)C[NH2+]CC1([NH3+])CCCC1 ZINC001245974548 987250963 /nfs/dbraw/zinc/25/09/63/987250963.db2.gz LTYOGHWLTPKEJQ-SNVBAGLBSA-N 2 0 200.326 1.009 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001245981747 987258780 /nfs/dbraw/zinc/25/87/80/987258780.db2.gz QLMKHIDYWOMFLN-CHWSQXEVSA-N 2 0 240.391 1.515 20 0 BDADRP CCCCC[C@H](O)C[NH2+]C[C@@H]([NH3+])CC ZINC001246005103 987285345 /nfs/dbraw/zinc/28/53/45/987285345.db2.gz QRQPGGHRGXLPGQ-QWRGUYRKSA-N 2 0 202.342 1.255 20 0 BDADRP CC[C@@H](O)C[N@@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001246023143 987311933 /nfs/dbraw/zinc/31/19/33/987311933.db2.gz OIDYTLLMWZNTBR-IJLUTSLNSA-N 2 0 214.353 1.064 20 0 BDADRP CC(C)[C@@H](O)C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246023985 987320610 /nfs/dbraw/zinc/32/06/10/987320610.db2.gz TWGWLVHZEJEDIN-STQMWFEESA-N 2 0 228.380 1.454 20 0 BDADRP CC(C)(C)[C@@H](O)C[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246026588 987324199 /nfs/dbraw/zinc/32/41/99/987324199.db2.gz UVDDUQDLAQIXBL-JSGCOSHPSA-N 2 0 240.391 1.611 20 0 BDADRP CC(C)(C)[C@H](O)C[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246026589 987327755 /nfs/dbraw/zinc/32/77/55/987327755.db2.gz UVDDUQDLAQIXBL-OCCSQVGLSA-N 2 0 240.391 1.611 20 0 BDADRP CCCC[C@@H](O)C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246028358 987327793 /nfs/dbraw/zinc/32/77/93/987327793.db2.gz BFWUWWBTXDDOIV-QWHCGFSZSA-N 2 0 228.380 1.598 20 0 BDADRP CCCCC[C@H](O)C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246028119 987327862 /nfs/dbraw/zinc/32/78/62/987327862.db2.gz ABPYXJATMQMKSR-KGLIPLIRSA-N 2 0 242.407 1.988 20 0 BDADRP CCC[C@H](O)C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246031536 987333175 /nfs/dbraw/zinc/33/31/75/987333175.db2.gz QWSZTPBRLQGQTR-QWHCGFSZSA-N 2 0 226.364 1.365 20 0 BDADRP C[C@@H](CO)[C@H]1CCCC[N@@H+]1CCCCCC[NH3+] ZINC000696789855 987344835 /nfs/dbraw/zinc/34/48/35/987344835.db2.gz RKQQAYCYMIBWAK-UONOGXRCSA-N 2 0 242.407 1.988 20 0 BDADRP CCCC[C@@H](O)C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246052526 987347102 /nfs/dbraw/zinc/34/71/02/987347102.db2.gz NRMAQJKBHBCEIC-HZSPNIEDSA-N 2 0 240.391 1.469 20 0 BDADRP C[N@H+](C[C@@H]1CCOC1)C[C@@H]1CCCC[NH2+]C1 ZINC000697034961 987347739 /nfs/dbraw/zinc/34/77/39/987347739.db2.gz QBRBQAWHPBABHV-OLZOCXBDSA-N 2 0 226.364 1.344 20 0 BDADRP C[C@@H]1COCC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000697034797 987348366 /nfs/dbraw/zinc/34/83/66/987348366.db2.gz AHVASPRGOGAOJX-QWHCGFSZSA-N 2 0 226.364 1.344 20 0 BDADRP CCC[C@H](O)C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001246059112 987348918 /nfs/dbraw/zinc/34/89/18/987348918.db2.gz ICXCHZKQUCHEMP-AGIUHOORSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246063882 987354264 /nfs/dbraw/zinc/35/42/64/987354264.db2.gz DIJOUAQZBCIRTM-JHJVBQTASA-N 2 0 237.391 1.249 20 0 BDADRP CC[C@H]1CC(NCC[NH2+]C)C[C@H](CC)[NH2+]1 ZINC001246072101 987360240 /nfs/dbraw/zinc/36/02/40/987360240.db2.gz FDRAAKFVIKZBGE-QWRGUYRKSA-N 2 0 213.369 1.105 20 0 BDADRP COC(=O)CC[C@@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC001246074544 987363734 /nfs/dbraw/zinc/36/37/34/987363734.db2.gz DPZDRFWREKZVSS-SNVBAGLBSA-N 2 0 228.336 1.189 20 0 BDADRP [NH3+]C[C@@H](N[C@@H]1CCCC[NH2+]C1)c1ccccc1 ZINC001246074280 987363973 /nfs/dbraw/zinc/36/39/73/987363973.db2.gz CDTPKLZBIVRPKZ-ZIAGYGMSSA-N 2 0 233.359 1.418 20 0 BDADRP C1C[C@H](N[C@@H]2CCCC[NH2+]C2)CS1 ZINC001246089500 987368423 /nfs/dbraw/zinc/36/84/23/987368423.db2.gz FNADHJGNVBEBKE-ZJUUUORDSA-N 2 0 200.351 1.224 20 0 BDADRP CC[C@@H](C)C[C@H]([NH3+])C(=O)NCC[NH+](CC)CC ZINC000400770753 987368639 /nfs/dbraw/zinc/36/86/39/987368639.db2.gz CJSJUUCPSLOFAZ-NEPJUHHUSA-N 2 0 243.395 1.208 20 0 BDADRP C[C@H]1C[C@@H](NCCCCCCCC[NH3+])C[NH2+]1 ZINC001246082211 987374920 /nfs/dbraw/zinc/37/49/20/987374920.db2.gz VYLCVSSXPLJTRG-QWHCGFSZSA-N 2 0 227.396 1.626 20 0 BDADRP C1OCC12CCC([NH2+]C1CC[NH2+]CC1)CC2 ZINC001246082783 987376683 /nfs/dbraw/zinc/37/66/83/987376683.db2.gz XZSWCDMVEIESNS-UHFFFAOYSA-N 2 0 224.348 1.287 20 0 BDADRP CC1(C)[C@@H]2C[C@@H]([NH2+]C3CC[NH2+]CC3)C[C@@H]21 ZINC001246082119 987377728 /nfs/dbraw/zinc/37/77/28/987377728.db2.gz WAJMFNWQTACQDU-CNDDSTCGSA-N 2 0 208.349 1.763 20 0 BDADRP CC[NH+](CC)CC[C@H](C)NC1CC[NH2+]CC1 ZINC001246082515 987377950 /nfs/dbraw/zinc/37/79/50/987377950.db2.gz WXHABNCAEZGPFB-LBPRGKRZSA-N 2 0 227.396 1.448 20 0 BDADRP Cc1oncc1CN[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246083609 987382880 /nfs/dbraw/zinc/38/28/80/987382880.db2.gz VCOKKXOAWNDDAA-KWQFWETISA-N 2 0 209.293 1.213 20 0 BDADRP CCC(CC)C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246084372 987382955 /nfs/dbraw/zinc/38/29/55/987382955.db2.gz YWKADPBDYQPWGH-GFCCVEGCSA-N 2 0 225.380 1.106 20 0 BDADRP C[C@@H](Cc1ccco1)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246086344 987386683 /nfs/dbraw/zinc/38/66/83/987386683.db2.gz UJQMMCBQTBSWFU-SRVKXCTJSA-N 2 0 222.332 1.941 20 0 BDADRP C[C@H](Cc1cccnc1)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246086220 987387321 /nfs/dbraw/zinc/38/73/21/987387321.db2.gz SMZUSXCTDZIAEX-SCRDCRAPSA-N 2 0 233.359 1.743 20 0 BDADRP C[C@@H]1CC[C@@H](CN[C@@H]2CC[NH2+]C(C)(C)C2)C[NH2+]1 ZINC001246089811 987393684 /nfs/dbraw/zinc/39/36/84/987393684.db2.gz DWWPRRODVKYHEJ-JHJVBQTASA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C[C@]2(C)CCC[NH2+]CC2)CN1 ZINC001246092609 987396857 /nfs/dbraw/zinc/39/68/57/987396857.db2.gz FFYMOSYVCHENMI-HZSPNIEDSA-N 2 0 239.407 1.496 20 0 BDADRP CC[C@@H]1C[C@@H](N[C@]2(C)CC[NH2+]C2)C[C@H](CC)[NH2+]1 ZINC001246092033 987397369 /nfs/dbraw/zinc/39/73/69/987397369.db2.gz BPIJZABICUZEKO-XJFOESAGSA-N 2 0 239.407 1.637 20 0 BDADRP C[C@@]1(O)CC[C@H]([NH2+]C2CC[NH2+]CC2)CC1 ZINC001246093903 987401192 /nfs/dbraw/zinc/40/11/92/987401192.db2.gz XHKSINNFZNFSGJ-KLPPZKSPSA-N 2 0 212.337 1.022 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N[C@H]2CC[NH2+]C[C@@H]2F)CC[NH2+]1 ZINC001246093335 987401443 /nfs/dbraw/zinc/40/14/43/987401443.db2.gz UMFXWCDTTGFRFJ-CYDGBPFRSA-N 2 0 243.370 1.053 20 0 BDADRP CC(C)[C@H]1C[C@@H](N[C@H]2C[NH2+]CC[C@H]2C)CC[NH2+]1 ZINC001246098773 987414628 /nfs/dbraw/zinc/41/46/28/987414628.db2.gz SPTMQABKVNIHCT-RQJABVFESA-N 2 0 239.407 1.351 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](CN[C@H]2CC[NH2+]C(C)(C)C2)C1 ZINC001246099409 987415066 /nfs/dbraw/zinc/41/50/66/987415066.db2.gz LTOBFBVWHUMCAP-AVGNSLFASA-N 2 0 239.407 1.352 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@H]2F)CC[NH2+]1 ZINC001246101023 987424714 /nfs/dbraw/zinc/42/47/14/987424714.db2.gz YNGZDBQYGCWQOJ-WRWGMCAJSA-N 2 0 214.328 1.855 20 0 BDADRP COC1CCC([NH2+]C[C@@H]2C[NH2+]C[C@@H](C)C2)CC1 ZINC001246103729 987426659 /nfs/dbraw/zinc/42/66/59/987426659.db2.gz TVDCROSFLSQLDQ-FEPKRQSRSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@H]2CCCN(C)C2)C[NH2+]1 ZINC001246102649 987427820 /nfs/dbraw/zinc/42/78/20/987427820.db2.gz WRYXERSMBMIMBC-AGIUHOORSA-N 2 0 225.380 1.058 20 0 BDADRP F[C@@]1(CN[C@H]2CCCC[NH2+]C2)CCCC[NH2+]C1 ZINC001246105401 987432089 /nfs/dbraw/zinc/43/20/89/987432089.db2.gz BFYAEZYVCIRVPA-STQMWFEESA-N 2 0 243.370 1.200 20 0 BDADRP C[C@H](Cc1ccncc1)[NH2+]C[C@@H]1CCC[NH2+][C@H]1C ZINC001246106133 987433714 /nfs/dbraw/zinc/43/37/14/987433714.db2.gz DEQDDNVDGQDWQX-IPYPFGDCSA-N 2 0 247.386 1.990 20 0 BDADRP C[C@@H]1CC[C@@H](CN[C@@H]2CC[NH2+][C@H](C)C2)[NH2+]C1 ZINC001246104426 987434245 /nfs/dbraw/zinc/43/42/45/987434245.db2.gz JQZAPIFUZRCCMN-LPWJVIDDSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)O3)[NH2+]C1 ZINC001246107000 987438329 /nfs/dbraw/zinc/43/83/29/987438329.db2.gz RUELDWNBNNBHKS-YJBUHQLJSA-N 2 0 238.375 1.674 20 0 BDADRP C[C@H](Cc1ccncc1)[NH2+]C[C@@H]1C[NH2+]CC[C@H]1C ZINC001246109819 987441609 /nfs/dbraw/zinc/44/16/09/987441609.db2.gz HESQCJQECNRKQK-NFAWXSAZSA-N 2 0 247.386 1.848 20 0 BDADRP C[C@@H]1CC[C@H](NC[C@H]2CCC[NH2+][C@@H]2C)C[NH2+]1 ZINC001246109651 987442246 /nfs/dbraw/zinc/44/22/46/987442246.db2.gz KJWFJTIKEBRHEH-LPWJVIDDSA-N 2 0 225.380 1.105 20 0 BDADRP C[NH2+]C1CCC([NH2+]C[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC001246111391 987446109 /nfs/dbraw/zinc/44/61/09/987446109.db2.gz NXGKUMJTBYLCOU-FEPKRQSRSA-N 3 0 239.407 1.495 20 0 BDADRP C[C@@H]1CC[C@@H](N2C[C@@H]([NH3+])Cc3ccccc32)C[NH2+]1 ZINC001246112287 987446966 /nfs/dbraw/zinc/44/69/66/987446966.db2.gz GDGKSDMFFOQDJV-KWCYVHTRSA-N 2 0 245.370 1.517 20 0 BDADRP C[C@@H]1CC[C@@H](CN[C@H]2CCC[N@H+](C)C2)[NH2+]C1 ZINC001246111284 987447274 /nfs/dbraw/zinc/44/72/74/987447274.db2.gz JATSZAKHKONSFN-AGIUHOORSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H]1CC[C@H](CN[C@@H]2CCCC[NH2+]C2)[NH2+]C1 ZINC001246113335 987449179 /nfs/dbraw/zinc/44/91/79/987449179.db2.gz NTWNODWCEZWJBV-JHJVBQTASA-N 2 0 225.380 1.106 20 0 BDADRP COC1CCC([NH2+]C[C@H]2CC[C@H](C)C[NH2+]2)CC1 ZINC001246113318 987450765 /nfs/dbraw/zinc/45/07/65/987450765.db2.gz NRQAJKNHTAAMKO-RJZJGCCBSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H]1CC[C@H](CNC2CC[NH+](C)CC2)[NH2+]C1 ZINC001246115956 987453208 /nfs/dbraw/zinc/45/32/08/987453208.db2.gz UBFXFGWJPUCYRL-WCQYABFASA-N 2 0 225.380 1.058 20 0 BDADRP C[C@H]1CC[NH2+]C[C@@H]1C[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001246117442 987459135 /nfs/dbraw/zinc/45/91/35/987459135.db2.gz BATDVKBHOAFQRR-PJIALRRASA-N 2 0 236.359 1.308 20 0 BDADRP CC(C)[C@H]1C[C@@H](N[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246120101 987462440 /nfs/dbraw/zinc/46/24/40/987462440.db2.gz LCCHRGOYZWIYTR-RWMBFGLXSA-N 2 0 225.380 1.105 20 0 BDADRP CC(C)C[C@@H](C)C[C@H](C)[NH2+]CCC1(O)C[NH2+]C1 ZINC001246117858 987462650 /nfs/dbraw/zinc/46/26/50/987462650.db2.gz MHYNBEKJNZRJIP-OLZOCXBDSA-N 2 0 242.407 1.761 20 0 BDADRP C[C@@H]1CC[C@H](NC[C@@H]2CCCC[NH2+]C2)C[NH2+]1 ZINC001246117898 987465630 /nfs/dbraw/zinc/46/56/30/987465630.db2.gz MVXFCOIYMFJOBR-UPJWGTAASA-N 2 0 225.380 1.106 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]Cc2cccc(N)c2)CC[NH2+]1 ZINC001246121368 987468887 /nfs/dbraw/zinc/46/88/87/987468887.db2.gz XVKQUWLEHINBRP-ZWNOBZJWSA-N 2 0 219.332 1.499 20 0 BDADRP CC(C)(C)[C@H]1C[C@@H](N[C@H]2C[NH2+]C[C@H]2F)CC[NH2+]1 ZINC001246126696 987471178 /nfs/dbraw/zinc/47/11/78/987471178.db2.gz NDVOHPMQRQUJOF-WHOHXGKFSA-N 2 0 243.370 1.053 20 0 BDADRP C[C@H]1C[C@@H](N[C@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)CC[NH2+]1 ZINC001246132758 987480959 /nfs/dbraw/zinc/48/09/59/987480959.db2.gz NPWGDBBOQXXEQB-NDKCEZKHSA-N 2 0 237.391 1.105 20 0 BDADRP CCCC[C@H]1C[C@@H](N[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246131509 987482424 /nfs/dbraw/zinc/48/24/24/987482424.db2.gz ZDHMYRXJONHBJC-IHRRRGAJSA-N 2 0 239.407 1.639 20 0 BDADRP CCCC[C@H]1C[C@H](N[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246131511 987484495 /nfs/dbraw/zinc/48/44/95/987484495.db2.gz ZDHMYRXJONHBJC-MJBXVCDLSA-N 2 0 239.407 1.639 20 0 BDADRP C[NH2+]CC[C@H](C)[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246133742 987487204 /nfs/dbraw/zinc/48/72/04/987487204.db2.gz VJWHPCVEUICVOV-QWHCGFSZSA-N 3 0 239.407 1.496 20 0 BDADRP CCC[NH+]1CCC(N[C@H]2C[NH2+]CC23CC3)CC1 ZINC001246135762 987492673 /nfs/dbraw/zinc/49/26/73/987492673.db2.gz VAEAMXRJBCTDFY-ZDUSSCGKSA-N 2 0 237.391 1.202 20 0 BDADRP CC[C@H](C)[C@@H](CO)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC001246150631 987507546 /nfs/dbraw/zinc/50/75/46/987507546.db2.gz ANBSPIWTOCEYRE-WHOHXGKFSA-N 2 0 214.353 1.124 20 0 BDADRP CC[NH+](CC)CCCC[NH2+][C@H]1CC[C@@H](C)NC1 ZINC001246162357 987514336 /nfs/dbraw/zinc/51/43/36/987514336.db2.gz PBYAIOSJCHAUFY-KGLIPLIRSA-N 2 0 241.423 1.839 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246161929 987519710 /nfs/dbraw/zinc/51/97/10/987519710.db2.gz BYVKCKAZCFOIEX-LPWJVIDDSA-N 3 0 225.380 1.234 20 0 BDADRP CCC[NH+](CCC)CCN[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246161362 987521939 /nfs/dbraw/zinc/52/19/39/987521939.db2.gz KHJCFLFWWIIXCR-KBPBESRZSA-N 2 0 241.423 1.839 20 0 BDADRP C[C@H]1CC[C@@H]([NH2+]CCCCCC[NH3+])CN1 ZINC001246165240 987522135 /nfs/dbraw/zinc/52/21/35/987522135.db2.gz QDHGUJCAMSOEOB-NWDGAFQWSA-N 2 0 213.369 1.236 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246161931 987523150 /nfs/dbraw/zinc/52/31/50/987523150.db2.gz BYVKCKAZCFOIEX-ZDEQEGDKSA-N 3 0 225.380 1.234 20 0 BDADRP C[C@H]1C[C@H](NCC[NH2+]Cc2ccccc2)CC[NH2+]1 ZINC001246165595 987525817 /nfs/dbraw/zinc/52/58/17/987525817.db2.gz JPCTZHCQJALZDQ-DZGCQCFKSA-N 2 0 247.386 1.506 20 0 BDADRP C[C@@H]1C[C@H](NCC[NH2+]Cc2ccccc2)CC[NH2+]1 ZINC001246165598 987526446 /nfs/dbraw/zinc/52/64/46/987526446.db2.gz JPCTZHCQJALZDQ-UKRRQHHQSA-N 2 0 247.386 1.506 20 0 BDADRP CNc1ccc(C[NH2+]C2CC[NH2+]CC2)cc1 ZINC001246169784 987531680 /nfs/dbraw/zinc/53/16/80/987531680.db2.gz FFZLQQIWRFKHHH-UHFFFAOYSA-N 2 0 219.332 1.570 20 0 BDADRP C[C@@H]1C[C@@H](NC[C@@H]2CCCC[NH2+]2)C[C@H](C)[NH2+]1 ZINC001246167977 987531977 /nfs/dbraw/zinc/53/19/77/987531977.db2.gz HGKXAYNSUWIMAD-RNJOBUHISA-N 2 0 225.380 1.247 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C(C)(C)C ZINC001246169284 987532705 /nfs/dbraw/zinc/53/27/05/987532705.db2.gz CMXVUMWJIVMEMX-WDEREUQCSA-N 2 0 225.380 1.105 20 0 BDADRP C(CC1CCCC1)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246172050 987536867 /nfs/dbraw/zinc/53/68/67/987536867.db2.gz BBWFRMRQJHUKTJ-ZDUSSCGKSA-N 2 0 237.391 1.250 20 0 BDADRP [NH3+]CCCN(C1CCCCC1)C1CC[NH2+]CC1 ZINC001246176984 987540359 /nfs/dbraw/zinc/54/03/59/987540359.db2.gz LYWQHAIJIMOUSB-UHFFFAOYSA-N 3 0 239.407 1.722 20 0 BDADRP CCCC[N@H+](C)CCCN[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246183103 987553368 /nfs/dbraw/zinc/55/33/68/987553368.db2.gz DGCUZLBZRFDHPK-UONOGXRCSA-N 2 0 241.423 1.839 20 0 BDADRP CC(C)COCC[C@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC001246187478 987564210 /nfs/dbraw/zinc/56/42/10/987564210.db2.gz ODRPCBSHYKNZDJ-QWHCGFSZSA-N 2 0 228.380 1.779 20 0 BDADRP CC1(C)C[C@H](N[C@]2(C)CCC[NH2+]C2)CC[NH2+]1 ZINC001246186553 987565382 /nfs/dbraw/zinc/56/53/82/987565382.db2.gz DDQGRCACVPMFKA-DGCLKSJQSA-N 2 0 225.380 1.249 20 0 BDADRP CC1(C)C[C@@H](N[C@@]2(C)CCC[NH2+]C2)CC[NH2+]1 ZINC001246186545 987568619 /nfs/dbraw/zinc/56/86/19/987568619.db2.gz DDQGRCACVPMFKA-AAEUAGOBSA-N 2 0 225.380 1.249 20 0 BDADRP CC[C@@H]1C[C@H](N[C@@]2(C)CCC[NH2+]C2)CC[NH2+]1 ZINC001246191139 987578233 /nfs/dbraw/zinc/57/82/33/987578233.db2.gz UVYIWTXLSUTGCK-UPJWGTAASA-N 2 0 225.380 1.249 20 0 BDADRP CCCC[NH+](CCCC)CCN[C@@H]1CC[NH2+]C1 ZINC001246193744 987582914 /nfs/dbraw/zinc/58/29/14/987582914.db2.gz PJDDCJIXJFNHOJ-CQSZACIVSA-N 2 0 241.423 1.840 20 0 BDADRP C1CC1([NH2+]C1CC[NH2+]CC1)C1CCOCC1 ZINC001246193998 987588253 /nfs/dbraw/zinc/58/82/53/987588253.db2.gz FAKKGMXIWPJQRF-UHFFFAOYSA-N 2 0 224.348 1.287 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C2(C3CCOCC3)CC2)CC[NH2+]1 ZINC001246195467 987588277 /nfs/dbraw/zinc/58/82/77/987588277.db2.gz OLYNWTARDKTRMI-YPMHNXCESA-N 2 0 238.375 1.676 20 0 BDADRP COCC1([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC001246196569 987589951 /nfs/dbraw/zinc/58/99/51/987589951.db2.gz UPNXDIZZYVPHPY-FOSCPWQOSA-N 2 0 224.348 1.428 20 0 BDADRP CCCC(CCC)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246198283 987591176 /nfs/dbraw/zinc/59/11/76/987591176.db2.gz OPZOLXNRWXNNLW-ZDUSSCGKSA-N 2 0 239.407 1.639 20 0 BDADRP C[C@@H]1CC(NC[C@H]2CCC[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC001246199302 987595157 /nfs/dbraw/zinc/59/51/57/987595157.db2.gz UNADWJIHOKRRKP-UTUOFQBUSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@H]1CC[C@H](n2cc3cc(C[NH3+])ccc3n2)C[NH2+]1 ZINC001246199691 987595842 /nfs/dbraw/zinc/59/58/42/987595842.db2.gz XJRIQYDACDHYHF-GWCFXTLKSA-N 2 0 244.342 1.808 20 0 BDADRP C[C@@H](Cc1ccncc1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC001246200568 987596579 /nfs/dbraw/zinc/59/65/79/987596579.db2.gz RBSWFFPWGIQHSN-JSGCOSHPSA-N 2 0 233.359 1.602 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CC[C@@H]([NH3+])CC2)CC[NH2+]1 ZINC001246202086 987600530 /nfs/dbraw/zinc/60/05/30/987600530.db2.gz MNPKQCOQGUBJDS-MQYQWHSLSA-N 3 0 239.407 1.624 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C2(CO)CCCC2)CC[NH2+]1 ZINC001246206094 987604055 /nfs/dbraw/zinc/60/40/55/987604055.db2.gz XKWPIUBTJABGPX-GHMZBOCLSA-N 2 0 212.337 1.022 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CC[NH2+]1 ZINC001246208005 987604512 /nfs/dbraw/zinc/60/45/12/987604512.db2.gz ZTXZGTVCQIOMQC-XUXIUFHCSA-N 2 0 239.407 1.482 20 0 BDADRP C[C@H](CC1CC1)[NH2+]C1CN(C2CC[NH2+]CC2)C1 ZINC001246212493 987609184 /nfs/dbraw/zinc/60/91/84/987609184.db2.gz AOSKWKMEBLEEQM-LLVKDONJSA-N 2 0 237.391 1.201 20 0 BDADRP NC(=[NH2+])N(c1ccccc1F)[C@@H]1CCC[NH2+]C1 ZINC001246214587 987609711 /nfs/dbraw/zinc/60/97/11/987609711.db2.gz RCYQTKNMKXZCPH-SECBINFHSA-N 2 0 236.294 1.278 20 0 BDADRP C[C@H]1CC[C@H]([NH2+]C[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CN1 ZINC001246220885 987619708 /nfs/dbraw/zinc/61/97/08/987619708.db2.gz GUPQGTSLGDGGEW-YHQUGGNUSA-N 2 0 237.391 1.247 20 0 BDADRP C([NH2+][C@@H]1CCCC[NH2+]C1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246221754 987619983 /nfs/dbraw/zinc/61/99/83/987619983.db2.gz JMKTYPBNBRDZHX-YIYPIFLZSA-N 3 0 237.391 1.249 20 0 BDADRP C[C@H]1CC[C@@H](NC[C@H]2CCC[N@H+](C)C2)C[NH2+]1 ZINC001246222572 987620540 /nfs/dbraw/zinc/62/05/40/987620540.db2.gz IBQLZKHZFJXZLF-YNEHKIRRSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@H]1CC[C@@H](n2cnc3ccc(C[NH3+])cc32)C[NH2+]1 ZINC001246228059 987625148 /nfs/dbraw/zinc/62/51/48/987625148.db2.gz DDDFKSBWHVPSCH-CMPLNLGQSA-N 2 0 244.342 1.808 20 0 BDADRP CCC1([NH2+]C2CCC3(CC[NH2+]C3)CC2)CNC1 ZINC001246236215 987635159 /nfs/dbraw/zinc/63/51/59/987635159.db2.gz NTBYUVJQVRFUIT-UHFFFAOYSA-N 2 0 237.391 1.250 20 0 BDADRP CCCC[C@@H]1C[C@H](NC2(CC)C[NH2+]C2)CC[NH2+]1 ZINC001246236189 987636335 /nfs/dbraw/zinc/63/63/35/987636335.db2.gz MXTRVONTAISALL-CHWSQXEVSA-N 2 0 239.407 1.639 20 0 BDADRP C(C[C@H]1CCCC[NH2+]1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246238967 987637701 /nfs/dbraw/zinc/63/77/01/987637701.db2.gz BNDPOKYWBYTPEP-HABKJSAYSA-N 2 0 237.391 1.391 20 0 BDADRP [NH3+]Cc1cccc2cnn(C3CC[NH2+]CC3)c21 ZINC001246238116 987639303 /nfs/dbraw/zinc/63/93/03/987639303.db2.gz DTTQNYPZMFDNPR-UHFFFAOYSA-N 2 0 230.315 1.420 20 0 BDADRP CC[C@@H](C)C[C@@H](CC)N[C@H]1C[NH2+]C[C@@H]1OC ZINC001246241312 987640800 /nfs/dbraw/zinc/64/08/00/987640800.db2.gz WPWQITIMVKVHNZ-NDBYEHHHSA-N 2 0 228.380 1.778 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)C1CC[NH2+]CC1 ZINC001246249768 987648298 /nfs/dbraw/zinc/64/82/98/987648298.db2.gz JWYWPGBWRMTABB-MDZLAQPJSA-N 3 0 225.380 1.105 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)C1CC[NH2+]CC1 ZINC001246249770 987650120 /nfs/dbraw/zinc/65/01/20/987650120.db2.gz JWYWPGBWRMTABB-NTZNESFSSA-N 3 0 225.380 1.105 20 0 BDADRP c1ccc(OCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1 ZINC001246255492 987653086 /nfs/dbraw/zinc/65/30/86/987653086.db2.gz LGFQKEXPGPXNAL-FUNVUKJBSA-N 2 0 247.342 1.333 20 0 BDADRP C[C@H]1C[C@@H](N[C@@H](C[NH3+])Cc2ccccc2)CC[NH2+]1 ZINC001246265305 987658403 /nfs/dbraw/zinc/65/84/03/987658403.db2.gz IXBFGBXEBLVBBT-AEGPPILISA-N 2 0 247.386 1.287 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H](C[NH3+])Cc2ccccc2)CC[NH2+]1 ZINC001246265306 987659163 /nfs/dbraw/zinc/65/91/63/987659163.db2.gz IXBFGBXEBLVBBT-BPLDGKMQSA-N 2 0 247.386 1.287 20 0 BDADRP C[C@@H]1CC[C@H](N[C@@H](C[NH3+])Cc2ccccc2)C[NH2+]1 ZINC001246262624 987660009 /nfs/dbraw/zinc/66/00/09/987660009.db2.gz BPIMMTDXMBBMGG-VHDGCEQUSA-N 2 0 247.386 1.287 20 0 BDADRP CC(C)([NH3+])CCN[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246269933 987662879 /nfs/dbraw/zinc/66/28/79/987662879.db2.gz CISBGCJQVDALRH-RYUDHWBXSA-N 2 0 241.423 1.870 20 0 BDADRP C[C@@H]1C[C@@H](NC(C)(C)CC[NH+](C)C)CC[NH2+]1 ZINC001246268811 987663721 /nfs/dbraw/zinc/66/37/21/987663721.db2.gz ZVBGIFIOZXMCIC-NEPJUHHUSA-N 2 0 227.396 1.447 20 0 BDADRP C[NH+](C)CCC(C)(C)N[C@H]1CCC[NH2+]C1 ZINC001246269818 987666771 /nfs/dbraw/zinc/66/67/71/987666771.db2.gz YKTLKYLKRWJNME-NSHDSACASA-N 2 0 213.369 1.058 20 0 BDADRP CCCC[C@H]1C[C@H](NCC[NH2+]CC)CC[NH2+]1 ZINC001246275259 987669480 /nfs/dbraw/zinc/66/94/80/987669480.db2.gz QNIBORGOLMZRFN-QWHCGFSZSA-N 2 0 227.396 1.496 20 0 BDADRP C[C@@H]1C[C@@H](NC[C@H]([NH3+])c2ccccc2)CC[NH2+]1 ZINC001246278902 987672735 /nfs/dbraw/zinc/67/27/35/987672735.db2.gz JPNUKBQDRPGXQO-XBFCOCLRSA-N 2 0 233.359 1.417 20 0 BDADRP CC[C@@H]1C[C@@H](N[C@H]2CCC[C@@H]2[NH3+])C[C@H](CC)[NH2+]1 ZINC001246279324 987672882 /nfs/dbraw/zinc/67/28/82/987672882.db2.gz MQIIKAYRXCSHRA-NDKCEZKHSA-N 2 0 239.407 1.765 20 0 BDADRP CC[C@H]1C[C@H](NCC2([NH3+])CCCCC2)CC[NH2+]1 ZINC001246280382 987675683 /nfs/dbraw/zinc/67/56/83/987675683.db2.gz UIMHHXOTGFQSDG-QWHCGFSZSA-N 2 0 239.407 1.768 20 0 BDADRP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccccc1N ZINC001246286806 987681250 /nfs/dbraw/zinc/68/12/50/987681250.db2.gz DSGFCCRJUCMYES-SNVBAGLBSA-N 2 0 219.332 1.671 20 0 BDADRP C[C@@H]1C[C@@H](NC[C@@H]([NH3+])Cc2ccccc2)CC[NH2+]1 ZINC001246298714 987693657 /nfs/dbraw/zinc/69/36/57/987693657.db2.gz DLDIAROUXAHFNV-SNPRPXQTSA-N 2 0 247.386 1.287 20 0 BDADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC[C@H](C)[NH3+])C1 ZINC001246304904 987701376 /nfs/dbraw/zinc/70/13/76/987701376.db2.gz MSGQHABWXBBAKE-HBNTYKKESA-N 2 0 228.336 1.045 20 0 BDADRP CC[C@H]1CC(N[C@H]2CCC[C@H]2[NH3+])C[C@H](CC)[NH2+]1 ZINC001246305279 987703916 /nfs/dbraw/zinc/70/39/16/987703916.db2.gz MQIIKAYRXCSHRA-VTPLQMEGSA-N 2 0 239.407 1.765 20 0 BDADRP C[C@H](Cc1ccncc1)[NH2+]CC[C@H](C)[NH3+] ZINC001246306755 987704714 /nfs/dbraw/zinc/70/47/14/987704714.db2.gz SMJVXGUWTVPOOX-WDEREUQCSA-N 2 0 207.321 1.340 20 0 BDADRP CCCCOC(=O)CC[C@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC001246307596 987709732 /nfs/dbraw/zinc/70/97/32/987709732.db2.gz YQJPBZQQJPLDAS-RYUDHWBXSA-N 2 0 244.379 1.825 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246311657 987711103 /nfs/dbraw/zinc/71/11/03/987711103.db2.gz QQNRCQQTEOOBQF-NEPJUHHUSA-N 2 0 227.396 1.480 20 0 BDADRP COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC001246310887 987711757 /nfs/dbraw/zinc/71/17/57/987711757.db2.gz OKVQYXWYCJDLFY-KXNHARMFSA-N 2 0 240.347 1.058 20 0 BDADRP CCCC[C@H]1C[C@@H](N[C@H]2CCC[C@@H]2[NH3+])CC[NH2+]1 ZINC001246310146 987711911 /nfs/dbraw/zinc/71/19/11/987711911.db2.gz MRIXLSDMSSVFSG-XUXIUFHCSA-N 2 0 239.407 1.767 20 0 BDADRP CC[C@H]([NH3+])C[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC001246316180 987712121 /nfs/dbraw/zinc/71/21/21/987712121.db2.gz YILGQMBGDFZAHZ-GUBZILKMSA-N 2 0 200.326 1.269 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@H]1Cc2cccc(F)c2C1 ZINC001246311413 987713603 /nfs/dbraw/zinc/71/36/03/987713603.db2.gz CJXICFCCZURZEH-MNOVXSKESA-N 2 0 222.307 1.620 20 0 BDADRP CC[C@H]([NH3+])CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001246310976 987713837 /nfs/dbraw/zinc/71/38/37/987713837.db2.gz BJDBRTZAECGEGB-ZDEQEGDKSA-N 2 0 225.380 1.329 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC001246312132 987715640 /nfs/dbraw/zinc/71/56/40/987715640.db2.gz GCLHASVIBJDRNQ-STQMWFEESA-N 3 0 229.412 1.824 20 0 BDADRP CC[C@H]([NH3+])C[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC001246316174 987722213 /nfs/dbraw/zinc/72/22/13/987722213.db2.gz YILGQMBGDFZAHZ-BBBLOLIVSA-N 2 0 200.326 1.269 20 0 BDADRP CC[C@@H]([NH3+])CN[C@@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246316097 987722224 /nfs/dbraw/zinc/72/22/24/987722224.db2.gz XXRMFVONXTWCSZ-FVCCEPFGSA-N 2 0 227.396 1.623 20 0 BDADRP CCCC[C@@H]1C[C@@H](N[C@H](CC)C[NH3+])CC[NH2+]1 ZINC001246316972 987723246 /nfs/dbraw/zinc/72/32/46/987723246.db2.gz LHBBJSHFFLBTTM-UPJWGTAASA-N 2 0 227.396 1.624 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246322343 987726868 /nfs/dbraw/zinc/72/68/68/987726868.db2.gz HDTQJIXSRGVANC-LBPRGKRZSA-N 3 0 239.407 1.483 20 0 BDADRP CC1(C)C[C@@H](N[C@@H]2C[NH2+]CCC2(C)C)CC[NH2+]1 ZINC001246325221 987731097 /nfs/dbraw/zinc/73/10/97/987731097.db2.gz ITFNFWNBZJNEFQ-NWDGAFQWSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C2CCC(CC[NH3+])CC2)CC[NH2+]1 ZINC001246332584 987738473 /nfs/dbraw/zinc/73/84/73/987738473.db2.gz FRJQVWFFDDOZLU-RYSNWHEDSA-N 3 0 239.407 1.624 20 0 BDADRP C[C@@H]1C[C@@H](NC(C)(C)C(C)(C)[NH3+])CC[NH2+]1 ZINC001246336019 987744851 /nfs/dbraw/zinc/74/48/51/987744851.db2.gz NKRBZNOSNLKCRI-ZJUUUORDSA-N 2 0 213.369 1.232 20 0 BDADRP CC(=O)NCCCCC[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC001246335830 987745872 /nfs/dbraw/zinc/74/58/72/987745872.db2.gz MNDPDRYFLUHCCB-AAEUAGOBSA-N 2 0 241.379 1.023 20 0 BDADRP CC[C@@H](COC)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC001246336262 987746345 /nfs/dbraw/zinc/74/63/45/987746345.db2.gz NYUMJTYXCPLBNK-OUAUKWLOSA-N 2 0 200.326 1.142 20 0 BDADRP CCN1CC[C@H]([NH2+][C@@]23CC[C@@]([NH3+])(C2)CCC3)C1 ZINC001246338312 987747513 /nfs/dbraw/zinc/74/75/13/987747513.db2.gz FRAXFFUSUULBCS-MJBXVCDLSA-N 2 0 237.391 1.474 20 0 BDADRP C[C@H]1CC[C@H](N[C@H]2CC[N@H+](CC3CC3)C2)C[NH2+]1 ZINC001246361162 987767645 /nfs/dbraw/zinc/76/76/45/987767645.db2.gz KBICCCLAOZNTQY-UBHSHLNASA-N 2 0 237.391 1.201 20 0 BDADRP C[C@H]1CC[C@@H](N[C@H]2CC[N@H+](CC3CC3)C2)C[NH2+]1 ZINC001246361170 987768755 /nfs/dbraw/zinc/76/87/55/987768755.db2.gz KBICCCLAOZNTQY-YUTCNCBUSA-N 2 0 237.391 1.201 20 0 BDADRP C(C1CCC1)[N@@H+]1CC[C@H](NC2CC[NH2+]CC2)C1 ZINC001246358817 987769105 /nfs/dbraw/zinc/76/91/05/987769105.db2.gz BWQADQJZPYDSFW-AWEZNQCLSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@H]1C[C@@H](N[C@H]2CC[N@@H+](C3CCC3)C2)CC[NH2+]1 ZINC001246359341 987769570 /nfs/dbraw/zinc/76/95/70/987769570.db2.gz AWXVCTOLXNIVDW-AVGNSLFASA-N 2 0 237.391 1.343 20 0 BDADRP CCC(CC)[N@@H+]1CC[C@H](N[C@@H]2CCC[NH2+]C2)C1 ZINC001246365453 987773496 /nfs/dbraw/zinc/77/34/96/987773496.db2.gz XHYKJXJVESITTR-OLZOCXBDSA-N 2 0 239.407 1.591 20 0 BDADRP C(C1CC1)C1(NC2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001246379775 987776218 /nfs/dbraw/zinc/77/62/18/987776218.db2.gz CSDYAKVQONJWNY-UHFFFAOYSA-N 2 0 237.391 1.250 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2(c3cnccn3)CC2)CC[NH2+]1 ZINC001246384961 987779658 /nfs/dbraw/zinc/77/96/58/987779658.db2.gz CSCCVGSRBNJDRH-VXGBXAGGSA-N 2 0 246.358 1.238 20 0 BDADRP CC(C)[N@H+](C1CC[NH2+]CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246404346 987786935 /nfs/dbraw/zinc/78/69/35/987786935.db2.gz NJCFAIARRFOKRT-JOCQHMNTSA-N 2 0 239.407 1.719 20 0 BDADRP CC(C)C[C@@H](C)C[C@@H](C)[NH2+]CCNCC[NH3+] ZINC001246407249 987788991 /nfs/dbraw/zinc/78/89/91/987788991.db2.gz XRUJKLFLXTVAJL-CHWSQXEVSA-N 2 0 229.412 1.585 20 0 BDADRP CC1(C)CC[C@H]([NH2+]CCCC[C@H]([NH3+])C(N)=O)C1 ZINC001246416780 987790161 /nfs/dbraw/zinc/79/01/61/987790161.db2.gz LUMUXKZVHYQRCY-QWRGUYRKSA-N 2 0 241.379 1.138 20 0 BDADRP CCC1([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCOCC1 ZINC001246440348 987798379 /nfs/dbraw/zinc/79/83/79/987798379.db2.gz IHFHNPQLPNBGOC-FUNVUKJBSA-N 2 0 238.375 1.818 20 0 BDADRP CCSC[C@@H](C)[NH2+][C@H]1CC12C[NH2+]C2 ZINC001246445561 987802707 /nfs/dbraw/zinc/80/27/07/987802707.db2.gz PHXSOSFNNFMESG-BDAKNGLRSA-N 2 0 200.351 1.080 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C2(Cc3cccnc3)CC2)CC[NH2+]1 ZINC001246447725 987805513 /nfs/dbraw/zinc/80/55/13/987805513.db2.gz QVBFWWDGNCLBRL-JSGCOSHPSA-N 2 0 245.370 1.887 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(CO)cc2)CC[NH2+]1 ZINC001246446271 987806099 /nfs/dbraw/zinc/80/60/99/987806099.db2.gz LXQJHVBRDOUBEF-DOMZBBRYSA-N 2 0 248.370 1.452 20 0 BDADRP C(C1CCC1)C1(N[C@@H]2CC[NH2+]C2)CC[NH2+]CC1 ZINC001246449843 987807205 /nfs/dbraw/zinc/80/72/05/987807205.db2.gz YOIIEWRZOUACHC-CYBMUJFWSA-N 2 0 237.391 1.250 20 0 BDADRP COc1ccc(N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1C[NH3+] ZINC001246453930 987810155 /nfs/dbraw/zinc/81/01/55/987810155.db2.gz RFCVIQCUGURTTI-ZWNOBZJWSA-N 2 0 249.358 1.706 20 0 BDADRP C[C@H]1CCC[C@H]([NH2+]CCC[NH2+]CCCC[NH3+])C1 ZINC001246455910 987813637 /nfs/dbraw/zinc/81/36/37/987813637.db2.gz HAMQBZYTJIBTGJ-KBPBESRZSA-N 3 0 241.423 1.873 20 0 BDADRP CC[C@@]1(N[C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)CC[NH2+]C1 ZINC001246464704 987822656 /nfs/dbraw/zinc/82/26/56/987822656.db2.gz SSMMDBZWTISUHN-YVECIDJPSA-N 2 0 225.380 1.247 20 0 BDADRP CO[C@H]1CCC[C@H]([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)C1 ZINC001246474974 987832795 /nfs/dbraw/zinc/83/27/95/987832795.db2.gz DGLVTWNHGIJPOQ-CYDGBPFRSA-N 2 0 244.354 1.481 20 0 BDADRP CCC[NH+]1CCC(N[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC001246477124 987834087 /nfs/dbraw/zinc/83/40/87/987834087.db2.gz GYYBBNOGRJHVEC-KGLIPLIRSA-N 2 0 239.407 1.720 20 0 BDADRP C[C@H]1CC[C@@H]([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)C1 ZINC001246477311 987834818 /nfs/dbraw/zinc/83/48/18/987834818.db2.gz NWARXFLDHBVNSZ-YFKTTZPYSA-N 2 0 214.328 1.712 20 0 BDADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@H]2[NH3+])C1 ZINC001246480482 987837581 /nfs/dbraw/zinc/83/75/81/987837581.db2.gz ZGNAWLHCUQGNOJ-KXNHARMFSA-N 2 0 240.347 1.188 20 0 BDADRP [NH3+][C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCSC1 ZINC001246480292 987838131 /nfs/dbraw/zinc/83/81/31/987838131.db2.gz YNBZYVYAINFCPR-AXFHLTTASA-N 2 0 214.378 1.742 20 0 BDADRP C[C@H]1CC[C@@H](NCCc2ccc(C[NH3+])cc2)C[NH2+]1 ZINC001246487012 987844582 /nfs/dbraw/zinc/84/45/82/987844582.db2.gz YWPLLVZMVIUECX-SWLSCSKDSA-N 2 0 247.386 1.418 20 0 BDADRP C[C@@H]1CC[C@@H](C)C1[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246494848 987850123 /nfs/dbraw/zinc/85/01/23/987850123.db2.gz LTNBIKKMZYLJIX-UTUOFQBUSA-N 2 0 237.391 1.105 20 0 BDADRP CCCC(C[NH3+])(CCC)N[C@H]1C[NH2+][C@@H](C)C1 ZINC001246497240 987850448 /nfs/dbraw/zinc/85/04/48/987850448.db2.gz QEANXSGPAXNQRM-NWDGAFQWSA-N 2 0 227.396 1.624 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001246497343 987853132 /nfs/dbraw/zinc/85/31/32/987853132.db2.gz LJYPODUODSRVDH-YNEHKIRRSA-N 2 0 245.386 1.396 20 0 BDADRP CCCC(C[NH3+])(CCC)N[C@@H](C)CC[NH2+]C ZINC001246507602 987859714 /nfs/dbraw/zinc/85/97/14/987859714.db2.gz YYLNEUFMRXDXKW-LBPRGKRZSA-N 2 0 229.412 1.872 20 0 BDADRP C[NH+](C)CC1CCC([NH2+]C2CC[NH2+]CC2)CC1 ZINC001246510389 987861929 /nfs/dbraw/zinc/86/19/29/987861929.db2.gz LUWFBIUBVHOVNA-UHFFFAOYSA-N 3 0 239.407 1.448 20 0 BDADRP CO[C@H]1CC[C@@H]([NH2+][C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246513113 987861963 /nfs/dbraw/zinc/86/19/63/987861963.db2.gz GHLXCWWKQWSZAE-WUHRBBMRSA-N 2 0 226.364 1.674 20 0 BDADRP CC(C)(C)[C@@H]1C[C@@H](NCC2([NH3+])CCC2)CC[NH2+]1 ZINC001246510986 987862413 /nfs/dbraw/zinc/86/24/13/987862413.db2.gz OFTGCSWXEJYCNP-RYUDHWBXSA-N 2 0 239.407 1.624 20 0 BDADRP C[C@H]1CC[C@H](N[C@H](C[NH3+])c2ccccc2)C[NH2+]1 ZINC001246508222 987863145 /nfs/dbraw/zinc/86/31/45/987863145.db2.gz RYMTZLXVVARENW-FPMFFAJLSA-N 2 0 233.359 1.417 20 0 BDADRP CC[NH+](CC)CCN(C)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246519561 987866956 /nfs/dbraw/zinc/86/69/56/987866956.db2.gz CFXGITMYMIWLER-CHWSQXEVSA-N 2 0 227.396 1.401 20 0 BDADRP C[C@@H]1CC[C@@H](N[C@@H](C2CCC2)C2C[NH2+]C2)C[NH2+]1 ZINC001246519594 987869982 /nfs/dbraw/zinc/86/99/82/987869982.db2.gz SKEMBAKIBOVLFM-HONMWMINSA-N 2 0 237.391 1.105 20 0 BDADRP CCCC[C@H]1C[C@H](N(C)CC[NH3+])CC[NH2+]1 ZINC001246522144 987870703 /nfs/dbraw/zinc/87/07/03/987870703.db2.gz ADKDXIIOKLQTMK-NWDGAFQWSA-N 2 0 213.369 1.188 20 0 BDADRP CCCC[C@H]1C[C@H](N2CC([NH2+]C)C2)CC[NH2+]1 ZINC001246524814 987875275 /nfs/dbraw/zinc/87/52/75/987875275.db2.gz SEFWOXLXCKAERL-WCQYABFASA-N 2 0 225.380 1.201 20 0 BDADRP COC(=O)[C@@H]1CCC[N@@H+]([C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246526127 987878172 /nfs/dbraw/zinc/87/81/72/987878172.db2.gz MEXMFPNYMREQLD-TUAOUCFPSA-N 2 0 240.347 1.012 20 0 BDADRP COC(=O)C1CCC([N@@H+]2CCC[NH2+]CC2)CC1 ZINC001246526527 987879932 /nfs/dbraw/zinc/87/99/32/987879932.db2.gz YPOGVVIUQOAPNV-UHFFFAOYSA-N 2 0 240.347 1.014 20 0 BDADRP COC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246526125 987879996 /nfs/dbraw/zinc/87/99/96/987879996.db2.gz MEXMFPNYMREQLD-IJLUTSLNSA-N 2 0 240.347 1.012 20 0 BDADRP CC(C)(C)[C@@H]1C[C@@H](N2CCC[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246533737 987890846 /nfs/dbraw/zinc/89/08/46/987890846.db2.gz GNLXKUBYNRBXKC-AVGNSLFASA-N 2 0 239.407 1.576 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC001246538630 987897029 /nfs/dbraw/zinc/89/70/29/987897029.db2.gz OXQCAKGTAYYART-ZDUSSCGKSA-N 3 0 241.423 1.778 20 0 BDADRP CCOCC[C@H](C)[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246538193 987898038 /nfs/dbraw/zinc/89/80/38/987898038.db2.gz ARYLYBBGJZSQAL-SDDRHHMPSA-N 2 0 214.353 1.328 20 0 BDADRP CC1(C)C[C@@H](N2CCC[C@@H]([NH3+])CC2)CC[NH2+]1 ZINC001246540109 987901315 /nfs/dbraw/zinc/90/13/15/987901315.db2.gz FOFMFTPCMRAPPR-NEPJUHHUSA-N 2 0 225.380 1.330 20 0 BDADRP [NH3+][C@@H]1CCCN([C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC001246539968 987902947 /nfs/dbraw/zinc/90/29/47/987902947.db2.gz JEJPJSNORWVFOW-MQYQWHSLSA-N 2 0 237.391 1.473 20 0 BDADRP CCOC(=O)CC[C@H](C)[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246539203 987904059 /nfs/dbraw/zinc/90/40/59/987904059.db2.gz CNRODPLDRFNTPW-NWDGAFQWSA-N 2 0 242.363 1.531 20 0 BDADRP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H]([NH3+])CC2)C1 ZINC001246543073 987911540 /nfs/dbraw/zinc/91/15/40/987911540.db2.gz SHACYYPRQUSZIO-UTUOFQBUSA-N 2 0 240.347 1.141 20 0 BDADRP CCOCC[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246541406 987912114 /nfs/dbraw/zinc/91/21/14/987912114.db2.gz HKSJGYJQWPFSAO-HBNTYKKESA-N 2 0 200.326 1.223 20 0 BDADRP CC1(C)C[C@H](N2CCCC[C@H]2C[NH3+])CC[NH2+]1 ZINC001246544429 987917988 /nfs/dbraw/zinc/91/79/88/987917988.db2.gz VYMQMGKCJTVFFD-NEPJUHHUSA-N 2 0 225.380 1.330 20 0 BDADRP CSCC[C@H](C)[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001246544883 987918905 /nfs/dbraw/zinc/91/89/05/987918905.db2.gz HUOAGUZGCKBSCZ-QWRGUYRKSA-N 2 0 216.394 1.941 20 0 BDADRP CC[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@](O)(C[NH3+])CC2)C1 ZINC001246547169 987927282 /nfs/dbraw/zinc/92/72/82/987927282.db2.gz BQGMDOVXGOWCOB-MCIONIFRSA-N 2 0 240.391 1.741 20 0 BDADRP CC[C@@H]1C[C@@H](N2CC[C@@H]([NH3+])[C@H]2C)C[C@H](CC)[NH2+]1 ZINC001246546243 987929312 /nfs/dbraw/zinc/92/93/12/987929312.db2.gz ZDPMWUSZOCWIPD-RKQHYHRCSA-N 2 0 239.407 1.717 20 0 BDADRP [NH3+]C[C@@]1(F)CCCN([C@@H]2CCCC[NH2+]C2)CC1 ZINC001246549802 987938255 /nfs/dbraw/zinc/93/82/55/987938255.db2.gz NRECYQKKTUHXDV-CHWSQXEVSA-N 2 0 243.370 1.281 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCOC[C@H](C)C2)CC[NH2+]1 ZINC001246551480 987941393 /nfs/dbraw/zinc/94/13/93/987941393.db2.gz MUZGLSWZSPBXGG-UTUOFQBUSA-N 2 0 212.337 1.095 20 0 BDADRP C[C@@H]1CCN([C@H]2CC[NH2+]C(C)(C)C2)C[C@@H]1C[NH3+] ZINC001246550919 987946573 /nfs/dbraw/zinc/94/65/73/987946573.db2.gz KYAMTXCVUVNEKK-AGIUHOORSA-N 3 0 239.407 1.434 20 0 BDADRP C[C@]1([NH3+])CCCN([C@H]2CCC[NH2+]CC2)CC1 ZINC001246551032 987947928 /nfs/dbraw/zinc/94/79/28/987947928.db2.gz JYDQTPGYGOOANH-STQMWFEESA-N 2 0 225.380 1.332 20 0 BDADRP C[C@@H]1CC[N@@H+]([C@@H]2CCC[NH2+]CC2)CC[C@H]1C[NH3+] ZINC001246554551 987956562 /nfs/dbraw/zinc/95/65/62/987956562.db2.gz BGUQEASIYFSETN-HZSPNIEDSA-N 3 0 239.407 1.435 20 0 BDADRP C[C@H]1CC[C@@H](C[NH3+])N(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246554196 987957243 /nfs/dbraw/zinc/95/72/43/987957243.db2.gz CZHORIZLVRHWMZ-VJBQPNPTSA-N 2 0 237.391 1.329 20 0 BDADRP C[C@@H]1C[C@H](N2CC[C@@H](C)[C@H](C[NH3+])C2)CC[NH2+]1 ZINC001246554696 987961140 /nfs/dbraw/zinc/96/11/40/987961140.db2.gz XHFZIFVNYFAUKL-FDYHWXHSSA-N 2 0 225.380 1.044 20 0 BDADRP C[C@@H]1CC[N@@H+]([C@H]2CCC[NH2+]CC2)CC[C@@H]1C[NH3+] ZINC001246554553 987963220 /nfs/dbraw/zinc/96/32/20/987963220.db2.gz BGUQEASIYFSETN-MCIONIFRSA-N 3 0 239.407 1.435 20 0 BDADRP C[C@@H]1CC[N@@H+]([C@@H]2COC(C)(C)C2)CC[C@H]1C[NH3+] ZINC001246554909 987963244 /nfs/dbraw/zinc/96/32/44/987963244.db2.gz CZQPCHQYXUMOJB-AGIUHOORSA-N 2 0 240.391 1.861 20 0 BDADRP C[C@@H]1CC(N2CCC[C@](C)([NH3+])CC2)C[C@@H](C)[NH2+]1 ZINC001246556226 987964412 /nfs/dbraw/zinc/96/44/12/987964412.db2.gz YUCLTAQBKQAEHJ-BZPMIXESSA-N 2 0 239.407 1.719 20 0 BDADRP C[C@H](CC1CC1)[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246556873 987966551 /nfs/dbraw/zinc/96/65/51/987966551.db2.gz GTCGAGMFQQBNEV-DGCLKSJQSA-N 2 0 226.364 1.351 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@](C)([NH3+])CC2)CCO1 ZINC001246556045 987966787 /nfs/dbraw/zinc/96/67/87/987966787.db2.gz YHAAQZJQOSPJCF-JHJVBQTASA-N 2 0 226.364 1.757 20 0 BDADRP CC[C@@H]1C[C@@H](N2CCCC[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246557782 987972450 /nfs/dbraw/zinc/97/24/50/987972450.db2.gz HNQYGYQFOHOCKY-XQQFMLRXSA-N 2 0 225.380 1.330 20 0 BDADRP CCCC[C@H](C)[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246557922 987974593 /nfs/dbraw/zinc/97/45/93/987974593.db2.gz JHGVFRPSZNQFEP-QWHCGFSZSA-N 2 0 228.380 1.741 20 0 BDADRP CCOCC[C@@H](C)[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246557379 987975322 /nfs/dbraw/zinc/97/53/22/987975322.db2.gz LHVFVEVRDWOXFQ-OLZOCXBDSA-N 2 0 246.370 1.954 20 0 BDADRP [NH3+][C@H]1CCCCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246560675 987989373 /nfs/dbraw/zinc/98/93/73/987989373.db2.gz SBRSILSZDPGBNM-ACJTYDJDSA-N 2 0 223.364 1.083 20 0 BDADRP C[NH2+]CC[C@H](C)[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246562089 987989725 /nfs/dbraw/zinc/98/97/25/987989725.db2.gz VSTJBYJDNWPFCD-NWDGAFQWSA-N 3 0 231.359 1.137 20 0 BDADRP C[C@@H]1CCCC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246560696 987990934 /nfs/dbraw/zinc/99/09/34/987990934.db2.gz RZRRTFRAWILJKS-OLZOCXBDSA-N 2 0 237.391 1.202 20 0 BDADRP C[NH2+]CC[C@@H](C)[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246562087 987993476 /nfs/dbraw/zinc/99/34/76/987993476.db2.gz VSTJBYJDNWPFCD-NEPJUHHUSA-N 3 0 231.359 1.137 20 0 BDADRP C[C@@H](Cc1ccncc1)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246561780 987997564 /nfs/dbraw/zinc/99/75/64/987997564.db2.gz LPYDWEWLPHPVHF-NTZNESFSSA-N 2 0 219.332 1.292 20 0 BDADRP CC[C@H]1C[C@H](N2CC[C@@H](C)[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246563499 988001640 /nfs/dbraw/zinc/00/16/40/988001640.db2.gz RHPJCLIALZZSHY-YVECIDJPSA-N 2 0 225.380 1.186 20 0 BDADRP C[C@@H]1CC[C@@H]([N@@H+]2CCCC[C@@](O)(C[NH3+])C2)C1 ZINC001246563536 988004350 /nfs/dbraw/zinc/00/43/50/988004350.db2.gz VHLATRKRJMQHPQ-JHJVBQTASA-N 2 0 226.364 1.351 20 0 BDADRP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+]CC(C)C ZINC001480565987 988009755 /nfs/dbraw/zinc/00/97/55/988009755.db2.gz QVNJUHYOWGPJMF-LBPRGKRZSA-N 2 0 243.395 1.079 20 0 BDADRP C[C@@H]1CCN([C@@H]2CC3CC[NH+](CC3)C2)C[C@@H]1[NH3+] ZINC001246563902 988017377 /nfs/dbraw/zinc/01/73/77/988017377.db2.gz CFNQSGLGUAXRHM-BNOWGMLFSA-N 2 0 237.391 1.140 20 0 BDADRP CC[NH+]1CCC(N2C[C@H](C)CC[C@@H]2C[NH3+])CC1 ZINC001246564208 988020696 /nfs/dbraw/zinc/02/06/96/988020696.db2.gz DGXCZDMLOAXQOV-TZMCWYRMSA-N 2 0 239.407 1.530 20 0 BDADRP C[C@@H]1CN([C@H]2CCC[NH2+]C2)CCC[C@H]1C[NH3+] ZINC001246567370 988032621 /nfs/dbraw/zinc/03/26/21/988032621.db2.gz KSKRDEMTNJDAHI-AGIUHOORSA-N 2 0 225.380 1.045 20 0 BDADRP COC[C@H](C)[N@@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001246568509 988044127 /nfs/dbraw/zinc/04/41/27/988044127.db2.gz OPSAFIYFDKDCOS-SRVKXCTJSA-N 2 0 214.353 1.328 20 0 BDADRP C[C@@H]1[C@@H](C[NH3+])CCCN1[C@@H]1CCCC[NH2+]C1 ZINC001246568101 988044224 /nfs/dbraw/zinc/04/42/24/988044224.db2.gz YNYXTZOBJMDFFV-JHJVBQTASA-N 2 0 225.380 1.188 20 0 BDADRP Cn1ccnc1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118180729 988074068 /nfs/dbraw/zinc/07/40/68/988074068.db2.gz MFOCFMDVBMAUQK-UHFFFAOYSA-N 2 0 248.374 1.386 20 0 BDADRP C[C@H]1C[C@@H]([N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)CC[NH2+]1 ZINC001246573793 988075058 /nfs/dbraw/zinc/07/50/58/988075058.db2.gz ZDMFORNRHUWJSW-RQJABVFESA-N 3 0 239.407 1.434 20 0 BDADRP C[C@@H]1C[C@H](N2CCC[C@](C)(C[NH3+])CC2)C[NH2+]1 ZINC001246576678 988077409 /nfs/dbraw/zinc/07/74/09/988077409.db2.gz MKXTXEJYIFMPEW-AGIUHOORSA-N 2 0 225.380 1.188 20 0 BDADRP CCN1CC[C@@H]([N@@H+]2CCC[C@@](C)(C[NH3+])CC2)C1 ZINC001246576499 988083349 /nfs/dbraw/zinc/08/33/49/988083349.db2.gz KLJWXMRZYGHWPW-ZIAGYGMSSA-N 2 0 239.407 1.532 20 0 BDADRP C[C@@H]1C[C@H](N2CCCC[C@](C)(C[NH3+])C2)CC[NH2+]1 ZINC001246578788 988104349 /nfs/dbraw/zinc/10/43/49/988104349.db2.gz CDRDBMXQOIDGNI-MGPQQGTHSA-N 2 0 239.407 1.578 20 0 BDADRP CC[C@@H](CC(C)C)[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246582500 988111821 /nfs/dbraw/zinc/11/18/21/988111821.db2.gz ZSZKXBDZDYLCPH-SDDRHHMPSA-N 2 0 214.353 1.063 20 0 BDADRP C[C@]1(CF)CC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001246581566 988114484 /nfs/dbraw/zinc/11/44/84/988114484.db2.gz YZADYIUBOUSEOD-LLVKDONJSA-N 2 0 200.301 1.420 20 0 BDADRP CCCC[C@H](CCC)[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246583825 988123086 /nfs/dbraw/zinc/12/30/86/988123086.db2.gz KYJKZKLLFAPHQF-AVGNSLFASA-N 2 0 228.380 1.597 20 0 BDADRP CCCC[C@H](CCC)[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246584024 988128989 /nfs/dbraw/zinc/12/89/89/988128989.db2.gz KYJKZKLLFAPHQF-RWMBFGLXSA-N 2 0 228.380 1.597 20 0 BDADRP N[C@@H]1CC[N@@H+]([C@@H]2CCCOCC2)CC[C@H]1F ZINC001246586076 988131324 /nfs/dbraw/zinc/13/13/24/988131324.db2.gz LDUSSYYFUSQLTM-IJLUTSLNSA-N 2 0 230.327 1.317 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N2[C@H](C)C[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC001246585613 988131748 /nfs/dbraw/zinc/13/17/48/988131748.db2.gz HGMDBBVNCINAQT-CRWXNKLISA-N 2 0 239.407 1.445 20 0 BDADRP C[C@@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@@]1(C)O ZINC001246587160 988145444 /nfs/dbraw/zinc/14/54/44/988145444.db2.gz FTPCOEUSFYODEE-SYCZCVCYSA-N 2 0 238.375 1.362 20 0 BDADRP C[NH2+]C1CCC([N@@H+]2CC[C@@H](N)[C@@H](F)CC2)CC1 ZINC001246587344 988150358 /nfs/dbraw/zinc/15/03/58/988150358.db2.gz NZZHXYRLOVRLPJ-IFWUJCSASA-N 2 0 243.370 1.278 20 0 BDADRP CC(C)[C@H]1C[C@@H](N2CC[NH2+][C@H](C)CC2)CC[NH2+]1 ZINC001246592104 988178372 /nfs/dbraw/zinc/17/83/72/988178372.db2.gz FMCORBLWMWGNBW-HZSPNIEDSA-N 2 0 239.407 1.447 20 0 BDADRP [NH3+]C[C@H]1CCCCN([C@@H]2CCCC[NH2+]C2)C1 ZINC001246595193 988189358 /nfs/dbraw/zinc/18/93/58/988189358.db2.gz SCFGWJYYUHBULC-CHWSQXEVSA-N 2 0 225.380 1.189 20 0 BDADRP CC[C@@H]1C[C@@H](N2CCCC[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC001246597653 988194351 /nfs/dbraw/zinc/19/43/51/988194351.db2.gz YAHXJDSSEKJRNS-MJBXVCDLSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@@H]1C[C@H](N2CC[NH2+]C[C@H]2c2ccccc2)C[NH2+]1 ZINC001246596283 988197472 /nfs/dbraw/zinc/19/74/72/988197472.db2.gz WILYIDXSSMUXOT-SNPRPXQTSA-N 2 0 245.370 1.383 20 0 BDADRP CCCC[C@H]1C[C@@H](N2CC(C[NH2+]C)C2)CC[NH2+]1 ZINC001246597574 988199986 /nfs/dbraw/zinc/19/99/86/988199986.db2.gz NOTQDKYNOPQCPJ-KBPBESRZSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H]1C[C@@H](N2CCC3(CC([NH3+])C3)CC2)CC[NH2+]1 ZINC001246603868 988217240 /nfs/dbraw/zinc/21/72/40/988217240.db2.gz PALRBBWQXYWBPS-AAEUAGOBSA-N 2 0 237.391 1.330 20 0 BDADRP CCCC[C@@H]1C[C@H](N2CCC23C[NH2+]C3)CC[NH2+]1 ZINC001246605435 988217700 /nfs/dbraw/zinc/21/77/00/988217700.db2.gz JMVAFZBWLXECMY-CHWSQXEVSA-N 2 0 237.391 1.345 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CC[C@]3(CCCO3)C2)CC[NH2+]1 ZINC001246606564 988221176 /nfs/dbraw/zinc/22/11/76/988221176.db2.gz NBLXUWXPZWFEPT-JHJVBQTASA-N 2 0 224.348 1.382 20 0 BDADRP C1CO[C@@]2(C1)CC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246608902 988231045 /nfs/dbraw/zinc/23/10/45/988231045.db2.gz VYUMGPHAEQFQQS-PIGZVRMJSA-N 2 0 236.359 1.524 20 0 BDADRP C[NH2+]CC[C@@H](C)[NH+]1CCC2(CCC[NH2+]C2)CC1 ZINC001246611847 988236075 /nfs/dbraw/zinc/23/60/75/988236075.db2.gz CWGXMDYKZNWUNX-CYBMUJFWSA-N 3 0 239.407 1.450 20 0 BDADRP CCOCC[C@H](C)[NH+]1CCC(F)(C[NH3+])CC1 ZINC001246621066 988249827 /nfs/dbraw/zinc/24/98/27/988249827.db2.gz SLQHNPSUHCBING-NSHDSACASA-N 2 0 232.343 1.564 20 0 BDADRP [NH3+]CC1(F)CC[NH+]([C@@H]2CCSC2)CC1 ZINC001246631324 988307552 /nfs/dbraw/zinc/30/75/52/988307552.db2.gz WPBYLJDWUKHRSG-SECBINFHSA-N 2 0 218.341 1.255 20 0 BDADRP C[C@@H]1CC[C@@H]([NH+]2CCC(F)(C[NH3+])CC2)C1 ZINC001246631298 988309366 /nfs/dbraw/zinc/30/93/66/988309366.db2.gz WBDWVOUXRYBMHG-GHMZBOCLSA-N 2 0 214.328 1.938 20 0 BDADRP C1C[C@@H]2[C@H](CC[N@@H+]2[C@@H]2CCCSC2)[NH2+]1 ZINC001246633146 988312494 /nfs/dbraw/zinc/31/24/94/988312494.db2.gz JVZOBGIUXVEWIA-OUAUKWLOSA-N 2 0 212.362 1.318 20 0 BDADRP FC1(F)C[C@@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]21 ZINC001246635353 988325521 /nfs/dbraw/zinc/32/55/21/988325521.db2.gz QTBSVOWNWIVBJX-ARHMULMVSA-N 2 0 242.313 1.856 20 0 BDADRP C[C@@H]1C[C@H]([NH+]2CC3(C2)CCCOC3)CC[NH2+]1 ZINC001246637625 988328232 /nfs/dbraw/zinc/32/82/32/988328232.db2.gz HDGSCVUZSXTSRY-VXGBXAGGSA-N 2 0 224.348 1.239 20 0 BDADRP CC1(C)CC[C@@H]([N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)C1 ZINC001246642717 988343915 /nfs/dbraw/zinc/34/39/15/988343915.db2.gz NELSKEBUPXFJOK-OCCSQVGLSA-N 2 0 237.391 1.202 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N2CCCC23C[NH2+]C3)CC[NH2+]1 ZINC001246642731 988344710 /nfs/dbraw/zinc/34/47/10/988344710.db2.gz OEAJZBUSBIPPKP-STQMWFEESA-N 2 0 237.391 1.201 20 0 BDADRP CO[C@@H]1CCC[C@H]([N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC001246641527 988349457 /nfs/dbraw/zinc/34/94/57/988349457.db2.gz JAMYRKQKNUTUBY-QNWHQSFQSA-N 2 0 224.348 1.380 20 0 BDADRP C1C[C@@]2(C[NH2+]1)CCCCN2[C@H]1CCCC[NH2+]C1 ZINC001246651624 988375916 /nfs/dbraw/zinc/37/59/16/988375916.db2.gz WVQUPNRHGLVINX-UONOGXRCSA-N 2 0 237.391 1.347 20 0 BDADRP C1CC[C@]2(CCC[NH2+]C2)N(C2CC[NH2+]CC2)C1 ZINC001246652189 988375970 /nfs/dbraw/zinc/37/59/70/988375970.db2.gz ODQFCBRAUQSSCJ-CQSZACIVSA-N 2 0 237.391 1.347 20 0 BDADRP C1C[C@@]2(C[NH2+]1)CCCCN2[C@@H]1CCCC[NH2+]C1 ZINC001246651626 988380440 /nfs/dbraw/zinc/38/04/40/988380440.db2.gz WVQUPNRHGLVINX-ZIAGYGMSSA-N 2 0 237.391 1.347 20 0 BDADRP C[NH2+]C1CCC([N@@H+]2C[C@H]3CCC[NH2+][C@H]3C2)CC1 ZINC001246655398 988388394 /nfs/dbraw/zinc/38/83/94/988388394.db2.gz HQCFWUNTLGKXIL-RYSNWHEDSA-N 3 0 237.391 1.201 20 0 BDADRP C1CC2(C1)C[C@@H](N1C[C@H]3CCC[NH2+][C@H]3C1)CC[NH2+]2 ZINC001246659403 988394730 /nfs/dbraw/zinc/39/47/30/988394730.db2.gz SEOZDGNUAVUBOQ-RDBSUJKOSA-N 2 0 249.402 1.345 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2CCC[C@H]3[NH2+]C[C@H]32)CC[NH2+]1 ZINC001246662892 988400778 /nfs/dbraw/zinc/40/07/78/988400778.db2.gz OBZADNCWWNLAMI-YIYPIFLZSA-N 2 0 237.391 1.199 20 0 BDADRP C1N([C@H]2CCC[C@]3(CC[NH2+]C3)C2)CC12CCC[NH2+]2 ZINC001246667475 988411931 /nfs/dbraw/zinc/41/19/31/988411931.db2.gz KVPOCOCXEWYRQW-KBPBESRZSA-N 2 0 249.402 1.347 20 0 BDADRP CC[C@H]1CC(N2CC[NH2+]C[C@@H]2C)C[C@H](CC)[NH2+]1 ZINC001246674423 988418854 /nfs/dbraw/zinc/41/88/54/988418854.db2.gz SXLTWCZBHZICHO-AVGNSLFASA-N 2 0 239.407 1.589 20 0 BDADRP COC[C@@]12CCC[C@@H]1C[N@@H+]([C@H]1CCC[NH2+]C1)C2 ZINC001246729535 988446469 /nfs/dbraw/zinc/44/64/69/988446469.db2.gz OTKVUUAPZALSJF-RDBSUJKOSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@H]1C[C@@H](N(C)CCC[NH+]2CCCC2)CC[NH2+]1 ZINC001246784499 988460589 /nfs/dbraw/zinc/46/05/89/988460589.db2.gz XWOGEBANMMSRLE-KBPBESRZSA-N 2 0 239.407 1.545 20 0 BDADRP C[C@@H]1C[C@@H](N(C)CCC[NH+]2CCCC2)CC[NH2+]1 ZINC001246784501 988463497 /nfs/dbraw/zinc/46/34/97/988463497.db2.gz XWOGEBANMMSRLE-KGLIPLIRSA-N 2 0 239.407 1.545 20 0 BDADRP CCCC[NH+]1CCN([C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246787477 988466720 /nfs/dbraw/zinc/46/67/20/988466720.db2.gz DSHVDRREUZQUDE-KBPBESRZSA-N 2 0 239.407 1.545 20 0 BDADRP C[C@@H]1CC[C@H](N(C)CCC2CC[NH2+]CC2)C[NH2+]1 ZINC001246793170 988470339 /nfs/dbraw/zinc/47/03/39/988470339.db2.gz AYTCWPJTQBMSRY-OCCSQVGLSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H]1C[C@@H](N(C)CCC2CC[NH2+]CC2)C[NH2+]1 ZINC001246794521 988476314 /nfs/dbraw/zinc/47/63/14/988476314.db2.gz FQFNEQRZXZYNIL-WCQYABFASA-N 2 0 225.380 1.058 20 0 BDADRP CN(CCC1CC[NH2+]CC1)[C@H]1CCCC[NH2+]C1 ZINC001246798776 988477828 /nfs/dbraw/zinc/47/78/28/988477828.db2.gz RYBZSOAYBPXHQZ-AWEZNQCLSA-N 2 0 239.407 1.450 20 0 BDADRP CC[C@H]1C[NH2+]CCN1[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246801600 988481810 /nfs/dbraw/zinc/48/18/10/988481810.db2.gz GHPXSDHCHIAPFV-NWDGAFQWSA-N 2 0 225.380 1.201 20 0 BDADRP CC[C@@H]1C[NH2+]CCN1[C@@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246801954 988485886 /nfs/dbraw/zinc/48/58/86/988485886.db2.gz HUWKXQMFWJSDGG-MGPQQGTHSA-N 2 0 239.407 1.447 20 0 BDADRP CC1(C)C[NH2+]CCN1[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246812405 988493928 /nfs/dbraw/zinc/49/39/28/988493928.db2.gz ZXRUDWGHHIJUPA-GFCCVEGCSA-N 2 0 237.391 1.345 20 0 BDADRP C[C@H]1C[C@@H]([N@H+](C)CCc2cccnc2)CC[NH2+]1 ZINC001246814447 988496730 /nfs/dbraw/zinc/49/67/30/988496730.db2.gz PFFFWGXPPJXRGH-JSGCOSHPSA-N 2 0 233.359 1.696 20 0 BDADRP Fc1ccc2c(c1)CN(C1CC[NH2+]CC1)C2 ZINC001246816347 988503370 /nfs/dbraw/zinc/50/33/70/988503370.db2.gz JAVAPJMPHVRLLM-UHFFFAOYSA-N 2 0 220.291 1.893 20 0 BDADRP C[NH2+][C@@H]1CCN([C@H]2CC[NH2+][C@H](C(C)(C)C)C2)C1 ZINC001246815873 988505895 /nfs/dbraw/zinc/50/58/95/988505895.db2.gz YPTHNPJWJKHXLC-AGIUHOORSA-N 2 0 239.407 1.447 20 0 BDADRP CC[C@@H]1C[C@H](N2C[C@H]([NH3+])CC[C@@H]2C)CC[NH2+]1 ZINC001246820341 988512076 /nfs/dbraw/zinc/51/20/76/988512076.db2.gz IZDIDYVNVNETPU-UMSGYPCISA-N 2 0 225.380 1.329 20 0 BDADRP CC[C@H]1C[C@H](N2C[C@@H](C)[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC001246824332 988514182 /nfs/dbraw/zinc/51/41/82/988514182.db2.gz MXBUCWZZUNDURY-QNWHQSFQSA-N 2 0 225.380 1.199 20 0 BDADRP CC1(C)CCC[C@@H](N(CC[NH3+])CC[NH3+])C1 ZINC001246828475 988522926 /nfs/dbraw/zinc/52/29/26/988522926.db2.gz BXPGJDSJHFICPT-LLVKDONJSA-N 2 0 213.369 1.175 20 0 BDADRP CCCC[C@H]1C[C@@H](N(C)C2C[NH2+]C2)CC[NH2+]1 ZINC001246831272 988527133 /nfs/dbraw/zinc/52/71/33/988527133.db2.gz BXGTVIPSWZNCEH-RYUDHWBXSA-N 2 0 225.380 1.201 20 0 BDADRP CCC1CCC(N(CC[NH3+])CC[NH3+])CC1 ZINC001246835337 988532377 /nfs/dbraw/zinc/53/23/77/988532377.db2.gz WSSWPEQHUWTPQV-UHFFFAOYSA-N 2 0 213.369 1.175 20 0 BDADRP C[C@H]1C[C@@H]([NH+]2CCC(n3ccnc3)CC2)CC[NH2+]1 ZINC001246847505 988562832 /nfs/dbraw/zinc/56/28/32/988562832.db2.gz SOLFSBKGYUZOPK-JSGCOSHPSA-N 2 0 248.374 1.661 20 0 BDADRP C1[NH+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC12CCC[NH2+]CC2 ZINC001246852404 988573208 /nfs/dbraw/zinc/57/32/08/988573208.db2.gz DDNCSQJSPAUTLO-PBWFPOADSA-N 3 0 249.402 1.345 20 0 BDADRP CCN([C@@H]1CC[NH2+]C1)C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246853071 988573655 /nfs/dbraw/zinc/57/36/55/988573655.db2.gz SHTZMSJGOINFKC-SDDRHHMPSA-N 2 0 225.380 1.199 20 0 BDADRP C[NH2+]Cc1cccc(N[C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC001246854438 988574813 /nfs/dbraw/zinc/57/48/13/988574813.db2.gz UDCVEQJFQHIIHE-BXUZGUMPSA-N 2 0 233.359 1.958 20 0 BDADRP CC[C@@H]1C[C@H](N(CC)[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246856220 988577027 /nfs/dbraw/zinc/57/70/27/988577027.db2.gz ZRFHVXANGUIODV-MGPQQGTHSA-N 2 0 239.407 1.591 20 0 BDADRP [NH3+][C@@]12CC[C@@H]1CN(C1CC[NH+](C3CC3)CC1)C2 ZINC001246859877 988591702 /nfs/dbraw/zinc/59/17/02/988591702.db2.gz KYMIUEYJZAAFIM-BXUZGUMPSA-N 2 0 235.375 1.036 20 0 BDADRP [NH3+][C@@]12CC[C@H]1CN(C1CC[NH+](C3CC3)CC1)C2 ZINC001246859880 988592534 /nfs/dbraw/zinc/59/25/34/988592534.db2.gz KYMIUEYJZAAFIM-SMDDNHRTSA-N 2 0 235.375 1.036 20 0 BDADRP CC(C)CC[C@@H](C)[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246861960 988601650 /nfs/dbraw/zinc/60/16/50/988601650.db2.gz SJZQSROMPPMZJM-HABKJSAYSA-N 2 0 240.391 1.717 20 0 BDADRP CC1(C)C[C@H]([N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)CCO1 ZINC001246865180 988610411 /nfs/dbraw/zinc/61/04/11/988610411.db2.gz YIEQNGPUFPSKIR-WZRBSPASSA-N 2 0 224.348 1.367 20 0 BDADRP C[C@H]1CC[C@@H](N2CCC3(C[NH+](C)C3)CC2)C[NH2+]1 ZINC001246873892 988636156 /nfs/dbraw/zinc/63/61/56/988636156.db2.gz HMIGKVWIUPMONL-QWHCGFSZSA-N 2 0 237.391 1.155 20 0 BDADRP CC[C@@]12C[C@@H](CO1)[N@@H+]([C@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246878311 988640823 /nfs/dbraw/zinc/64/08/23/988640823.db2.gz KKZJVXUZRTZEKF-VOAKCMCISA-N 2 0 224.348 1.380 20 0 BDADRP C[C@H]1C[C@H]([N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)CC[NH2+]1 ZINC001246874891 988645505 /nfs/dbraw/zinc/64/55/05/988645505.db2.gz WNZARWZSHAGUDY-KZZRWZIVSA-N 2 0 212.312 1.274 20 0 BDADRP CC(C)[C@H]1C[C@@H](N2[C@H](C)C[NH2+]C[C@H]2C)CC[NH2+]1 ZINC001246882115 988649930 /nfs/dbraw/zinc/64/99/30/988649930.db2.gz HGMDBBVNCINAQT-YIYPIFLZSA-N 2 0 239.407 1.445 20 0 BDADRP CC[C@H]1C[C@H](N2[C@H](C)C[NH2+]C[C@H]2C)CC[NH2+]1 ZINC001246883813 988650938 /nfs/dbraw/zinc/65/09/38/988650938.db2.gz PARMDZAPTKWEIU-FVCCEPFGSA-N 2 0 225.380 1.199 20 0 BDADRP CCCC[C@H]1C[C@H](N(CC)CC[NH3+])CC[NH2+]1 ZINC001246889137 988657009 /nfs/dbraw/zinc/65/70/09/988657009.db2.gz CVIBDOBJDKPBJI-QWHCGFSZSA-N 2 0 227.396 1.578 20 0 BDADRP CCCC[C@H]1C[C@@H](N(CC)CC[NH2+]C)CC[NH2+]1 ZINC001246891702 988658265 /nfs/dbraw/zinc/65/82/65/988658265.db2.gz OGGKFCCGQZHFQF-KBPBESRZSA-N 2 0 241.423 1.839 20 0 BDADRP CCN(CC[NH2+]C)[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246892141 988659001 /nfs/dbraw/zinc/65/90/01/988659001.db2.gz PWLPESLVLIUSGY-NSHDSACASA-N 2 0 213.369 1.058 20 0 BDADRP CC[C@H]1CC([N@H+](C)CCCC[NH3+])C[C@H](CC)[NH2+]1 ZINC001246890578 988659409 /nfs/dbraw/zinc/65/94/09/988659409.db2.gz IKVDNDKSPMDCAS-STQMWFEESA-N 3 0 241.423 1.966 20 0 BDADRP CC[N@H+](CCN)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246892045 988659875 /nfs/dbraw/zinc/65/98/75/988659875.db2.gz OUBKQXYFGQDXQR-UHFFFAOYSA-N 2 0 239.407 1.579 20 0 BDADRP CCC1([NH3+])CN([C@@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246894984 988665002 /nfs/dbraw/zinc/66/50/02/988665002.db2.gz RBAVJDJZLGUHMT-GFCCVEGCSA-N 2 0 237.391 1.332 20 0 BDADRP CCCC[C@@H]1C[C@@H]([N@H+](C)CCO)CC[NH2+]1 ZINC001246913194 988668976 /nfs/dbraw/zinc/66/89/76/988668976.db2.gz PSHPSJGMURAOLD-NEPJUHHUSA-N 2 0 214.353 1.221 20 0 BDADRP CCCC[C@H]1CN([C@H]2CCC[NH2+]CC2)CC[NH2+]1 ZINC001246902718 988674462 /nfs/dbraw/zinc/67/44/62/988674462.db2.gz MSBJRNONAVPIQP-KBPBESRZSA-N 2 0 239.407 1.593 20 0 BDADRP CCC[C@H]1CN([C@H]2CC[C@@H](C)[NH2+]C2)CC[NH2+]1 ZINC001246903365 988679084 /nfs/dbraw/zinc/67/90/84/988679084.db2.gz PTGRPOUTQPXINI-AGIUHOORSA-N 2 0 225.380 1.201 20 0 BDADRP CCC[N@H+](CC(C)C)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246910270 988687896 /nfs/dbraw/zinc/68/78/96/988687896.db2.gz KJXIWGGCIJKXAC-ZDUSSCGKSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H]1CC[C@H](N(C)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246908963 988691204 /nfs/dbraw/zinc/69/12/04/988691204.db2.gz HJZCSSDMJKUFFH-CYDGBPFRSA-N 2 0 225.380 1.329 20 0 BDADRP C[C@@H]1CC[C@H](N(C)[C@@H]2CCCC[C@@H]2[NH3+])C[NH2+]1 ZINC001246910130 988691348 /nfs/dbraw/zinc/69/13/48/988691348.db2.gz KSCCCQLTXKBMED-MROQNXINSA-N 2 0 225.380 1.329 20 0 BDADRP C1[C@H]2C[NH2+]C[C@@H]2N1[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001246915392 988709253 /nfs/dbraw/zinc/70/92/53/988709253.db2.gz FZQZFFFWLXFWSH-SNPRPXQTSA-N 2 0 249.402 1.297 20 0 BDADRP CCC[C@@H]1C[NH2+]CCN1[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246925028 988749259 /nfs/dbraw/zinc/74/92/59/988749259.db2.gz LBMJYMXSINIVNT-CHWSQXEVSA-N 2 0 239.407 1.591 20 0 BDADRP CCN(C[C@@H]1CC[NH2+]C1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246935268 988770123 /nfs/dbraw/zinc/77/01/23/988770123.db2.gz GDPKEBFUABYOBT-UPJWGTAASA-N 2 0 225.380 1.058 20 0 BDADRP CC(C)[C@H]1C[C@H](N2C[C@@H]3CC[C@H]2C[NH2+]3)CC[NH2+]1 ZINC001246943510 988772693 /nfs/dbraw/zinc/77/26/93/988772693.db2.gz KXCGROFOWOZGDK-RFQIPJPRSA-N 2 0 237.391 1.199 20 0 BDADRP CCCN(CCC[NH+](C)C)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246945122 988778247 /nfs/dbraw/zinc/77/82/47/988778247.db2.gz ZKDBQABQNRGXNY-UONOGXRCSA-N 2 0 241.423 1.791 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246945770 988783592 /nfs/dbraw/zinc/78/35/92/988783592.db2.gz XWLRMCYGPNRTRW-IHRRRGAJSA-N 2 0 241.423 1.789 20 0 BDADRP C[NH2+]CCN([C@H]1CC[NH2+][C@H](C)C1)C(C)(C)C ZINC001246950466 988788416 /nfs/dbraw/zinc/78/84/16/988788416.db2.gz VLDGGUCFSJGPPW-NEPJUHHUSA-N 2 0 227.396 1.447 20 0 BDADRP C[NH2+]CCN([C@@H]1CC[C@H](C)[NH2+]C1)C(C)(C)C ZINC001246949857 988788915 /nfs/dbraw/zinc/78/89/15/988788915.db2.gz RAGWIOOLUAEMBY-NWDGAFQWSA-N 2 0 227.396 1.447 20 0 BDADRP CC(C)N([C@@H]1CC[NH2+]C1)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246961325 988795108 /nfs/dbraw/zinc/79/51/08/988795108.db2.gz QDZLSQORVZXDHI-FRRDWIJNSA-N 2 0 225.380 1.199 20 0 BDADRP CC[C@H]([NH3+])CN(C)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246972210 988798414 /nfs/dbraw/zinc/79/84/14/988798414.db2.gz BGIMWJGTDKDMCV-XQQFMLRXSA-N 2 0 241.423 1.822 20 0 BDADRP CC(C)N([C@H]1CC[NH2+]C1)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246971919 988799497 /nfs/dbraw/zinc/79/94/97/988799497.db2.gz IUHFRJMJIVMMIZ-XQQFMLRXSA-N 2 0 225.380 1.199 20 0 BDADRP CC[C@H]([NH3+])CN(C)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246972208 988801099 /nfs/dbraw/zinc/80/10/99/988801099.db2.gz BGIMWJGTDKDMCV-AVGNSLFASA-N 2 0 241.423 1.822 20 0 BDADRP CC[C@H]([NH3+])CN(C)[C@H]1CC[NH2+][C@@H](CC)C1 ZINC001246975423 988806066 /nfs/dbraw/zinc/80/60/66/988806066.db2.gz UGHWCSRIYCHDHN-SRVKXCTJSA-N 2 0 213.369 1.186 20 0 BDADRP C1CC(N([C@@H]2CCC[NH2+]C2)[C@@H]2CCC[NH2+]C2)C1 ZINC001246984781 988813801 /nfs/dbraw/zinc/81/38/01/988813801.db2.gz HBSFVUYYSNBSQK-ZIAGYGMSSA-N 2 0 237.391 1.345 20 0 BDADRP c1ccc(C[C@H]2C[C@@H](N3CC[NH2+]C3)CC[NH2+]2)cc1 ZINC001246989735 988819493 /nfs/dbraw/zinc/81/94/93/988819493.db2.gz GXNBFIFRQPCZOY-GJZGRUSLSA-N 2 0 245.370 1.212 20 0 BDADRP CC(C)O[C@@H]1CC[N@@H+]([C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246995216 988830155 /nfs/dbraw/zinc/83/01/55/988830155.db2.gz RXAVVATYAOYZHH-YNEHKIRRSA-N 2 0 226.364 1.626 20 0 BDADRP CC[N@@H+]1CCN([C@H]2CC[C@@H](C)[NH2+]C2)[C@H](C)C1 ZINC001246997354 988831722 /nfs/dbraw/zinc/83/17/22/988831722.db2.gz UDPYIDZINOGPTG-UPJWGTAASA-N 2 0 225.380 1.153 20 0 BDADRP CC[C@@H]1C[C@H](N2CC[NH2+]C2)C[C@H](CC)[NH2+]1 ZINC001246997608 988832669 /nfs/dbraw/zinc/83/26/69/988832669.db2.gz WEXGDFCAPMHJIH-GDNZZTSVSA-N 2 0 211.353 1.158 20 0 BDADRP CC[N@@H+]1CC[C@H](N2CC[C@@H]3[NH2+]CCC[C@@H]3C2)C1 ZINC001247005142 988838114 /nfs/dbraw/zinc/83/81/14/988838114.db2.gz GERRHROTXWKCAJ-RDBSUJKOSA-N 2 0 237.391 1.155 20 0 BDADRP C[C@@H]([NH3+])c1nc2cc(C[NH+](C)C)ccc2[nH]1 ZINC001247019945 988843054 /nfs/dbraw/zinc/84/30/54/988843054.db2.gz JDLNRFQZCBYVAQ-MRVPVSSYSA-N 2 0 218.304 1.644 20 0 BDADRP CC1(C)C[C@H]([N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)CO1 ZINC001247016155 988844623 /nfs/dbraw/zinc/84/46/23/988844623.db2.gz SAODTXBAROGNRD-AVGNSLFASA-N 2 0 238.375 1.628 20 0 BDADRP C[C@@H]1C[C@H](N2CC[C@H]3[NH2+]CCC[C@H]3C2)CC[NH2+]1 ZINC001247016374 988845855 /nfs/dbraw/zinc/84/58/55/988845855.db2.gz ULQSAIQAEUANAC-XJFOESAGSA-N 2 0 237.391 1.201 20 0 BDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H](C)[C@H](C)[NH3+] ZINC001514550277 988896581 /nfs/dbraw/zinc/89/65/81/988896581.db2.gz SAQSZIBOWJSVDB-WOPDTQHZSA-N 2 0 243.395 1.062 20 0 BDADRP CN(CCCCCC[NH3+])C(=O)[C@@H]([NH3+])CC1CC1 ZINC001119358352 989003344 /nfs/dbraw/zinc/00/33/44/989003344.db2.gz SXXCBESOCDPWSQ-LBPRGKRZSA-N 2 0 241.379 1.091 20 0 BDADRP CCc1nn(C)c(Cl)c1C[NH2+]CCCC[NH3+] ZINC001325320957 989156097 /nfs/dbraw/zinc/15/60/97/989156097.db2.gz RQJVYNIAPRJHPO-UHFFFAOYSA-N 2 0 244.770 1.464 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+]C[C@@H]1CCOc2ccccc21 ZINC001325319556 989156980 /nfs/dbraw/zinc/15/69/80/989156980.db2.gz LNIXFOOGYOTYBD-OLZOCXBDSA-N 2 0 248.370 1.998 20 0 BDADRP Cc1ncoc1C[NH2+]CCC1CC[NH+](C)CC1 ZINC001119605207 989227824 /nfs/dbraw/zinc/22/78/24/989227824.db2.gz NOSOQGSYZBLXPR-UHFFFAOYSA-N 2 0 237.347 1.805 20 0 BDADRP C[NH2+][C@@H](C)CCNC1CC[NH+](C(C)C)CC1 ZINC001325719244 989239330 /nfs/dbraw/zinc/23/93/30/989239330.db2.gz WKZFKCDQQCCBSM-LBPRGKRZSA-N 2 0 227.396 1.447 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@@H](C)CCCC[NH3+] ZINC001325756453 989243551 /nfs/dbraw/zinc/24/35/51/989243551.db2.gz UYSUJLFRDZQAJJ-MNOVXSKESA-N 3 0 201.358 1.092 20 0 BDADRP C[NH2+][C@H](C)CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC001325744787 989246744 /nfs/dbraw/zinc/24/67/44/989246744.db2.gz VJDXWCHEBRZYDS-XJFOESAGSA-N 2 0 239.407 1.447 20 0 BDADRP C[NH2+][C@H](C)CCN[C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC001325756310 989254099 /nfs/dbraw/zinc/25/40/99/989254099.db2.gz UGWGWXRKWLPENZ-IPYPFGDCSA-N 2 0 249.402 1.533 20 0 BDADRP C(CC1CCOCC1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC001119630156 989264023 /nfs/dbraw/zinc/26/40/23/989264023.db2.gz DAGXHXHGVRIGDJ-ZDUSSCGKSA-N 2 0 238.375 1.677 20 0 BDADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)C(C)(C)CO)C1 ZINC001119688507 989335967 /nfs/dbraw/zinc/33/59/67/989335967.db2.gz HLSMUQIBWOPCFZ-OLZOCXBDSA-N 2 0 242.407 1.715 20 0 BDADRP CCN(CC)C(=O)C[C@H](C)[NH2+]CC[C@H](C)[NH2+]C ZINC001326036310 989338241 /nfs/dbraw/zinc/33/82/41/989338241.db2.gz PAJJKMRZHQVQBM-RYUDHWBXSA-N 2 0 243.395 1.221 20 0 BDADRP CCC[NH2+]CCN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC001119699789 989347017 /nfs/dbraw/zinc/34/70/17/989347017.db2.gz ZDICQOZWCTUBBY-FRRDWIJNSA-N 2 0 239.407 1.352 20 0 BDADRP C[C@]1(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)CC[NH2+]C1 ZINC001326231869 989439333 /nfs/dbraw/zinc/43/93/33/989439333.db2.gz LKTXIZHUMORNRY-PIGZVRMJSA-N 2 0 238.375 1.079 20 0 BDADRP CCCC[N@H+](C)CCNC(=O)C[NH2+]CC(C)C ZINC001326409446 989546815 /nfs/dbraw/zinc/54/68/15/989546815.db2.gz WILCNYYQXUCHEL-UHFFFAOYSA-N 2 0 243.395 1.080 20 0 BDADRP C[C@H](CNc1cc[nH+]cc1CO)C[NH+]1CCCC1 ZINC001120015065 989563674 /nfs/dbraw/zinc/56/36/74/989563674.db2.gz XEGSVQRTERSFAW-GFCCVEGCSA-N 2 0 249.358 1.140 20 0 BDADRP Cc1cc(N)nc(NCC2=CC[N@H+](C)CC2)[nH+]1 ZINC001120031246 989567823 /nfs/dbraw/zinc/56/78/23/989567823.db2.gz PHRDZOUKMAUKTO-UHFFFAOYSA-N 2 0 233.319 1.041 20 0 BDADRP COCC[C@H](C)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326584777 989616172 /nfs/dbraw/zinc/61/61/72/989616172.db2.gz ZGWQVJNCBWGWDH-ZDUSSCGKSA-N 2 0 240.391 1.877 20 0 BDADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](CC(C)(C)[NH3+])C[C@@H]2C1 ZINC001120269334 989624277 /nfs/dbraw/zinc/62/42/77/989624277.db2.gz QCTKZWNISAAZRL-FRRDWIJNSA-N 3 0 239.407 1.386 20 0 BDADRP [NH3+]CCCCNC(=O)CCCC[NH+]1CCCC1 ZINC001326687377 989653796 /nfs/dbraw/zinc/65/37/96/989653796.db2.gz HFWGWUSGUQDECW-UHFFFAOYSA-N 2 0 241.379 1.108 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC001521900136 989813634 /nfs/dbraw/zinc/81/36/34/989813634.db2.gz JZXBPVZFMSSCEV-SRVKXCTJSA-N 2 0 241.379 1.088 20 0 BDADRP C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1C(=O)CCCCC[NH3+] ZINC001522823472 989879611 /nfs/dbraw/zinc/87/96/11/989879611.db2.gz BWJJQVPEHQKYKW-GRYCIOLGSA-N 2 0 241.379 1.103 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)NCCCC[NH+](C)C ZINC001121909289 990122212 /nfs/dbraw/zinc/12/22/12/990122212.db2.gz MPGMZVFETKBMDU-LBPRGKRZSA-N 2 0 243.395 1.208 20 0 BDADRP C[NH2+]CCCN(C)C(=O)[C@](C)(C[NH3+])CC(C)C ZINC001122069293 990219869 /nfs/dbraw/zinc/21/98/69/990219869.db2.gz BGOZQHPFYLCPOA-ZDUSSCGKSA-N 2 0 243.395 1.065 20 0 BDADRP C[NH2+]CCN(C(=O)[C@H]([NH3+])CCC(C)C)C(C)C ZINC001122255850 990310031 /nfs/dbraw/zinc/31/00/31/990310031.db2.gz ZQDGPSWAKOXSGO-GFCCVEGCSA-N 2 0 243.395 1.206 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)N(C)CCC[NH+](C)C ZINC001122369526 990359589 /nfs/dbraw/zinc/35/95/89/990359589.db2.gz MDEQFIMGBVOCMH-LBPRGKRZSA-N 2 0 243.395 1.160 20 0 BDADRP CC[NH+](CC)CCNC(=O)[C@H](C)CC[NH+](C)C ZINC001538713694 990541404 /nfs/dbraw/zinc/54/14/04/990541404.db2.gz UMEWBNPYHPMCJT-GFCCVEGCSA-N 2 0 243.395 1.032 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ncccc3O)C[C@@H]2C1 ZINC001138393056 990927230 /nfs/dbraw/zinc/92/72/30/990927230.db2.gz PDJOVLLNLXPLIM-NEPJUHHUSA-N 2 0 247.342 1.171 20 0 BDADRP CC(C)=CCC[C@H](C)NC(=[NH2+])NCCCC[NH3+] ZINC001258075353 990972436 /nfs/dbraw/zinc/97/24/36/990972436.db2.gz AEUWMBFTSPHTBL-LBPRGKRZSA-N 2 0 240.395 1.974 20 0 BDADRP CC(C)=CCC[C@@H](C)[NH2+]CCOCC[NH3+] ZINC001258076831 990974381 /nfs/dbraw/zinc/97/43/81/990974381.db2.gz QZYHDVPSTAWJRG-GFCCVEGCSA-N 2 0 214.353 1.686 20 0 BDADRP CC(C)=CCC[C@@H](C)N(CC[NH3+])CCO ZINC001258079368 990980460 /nfs/dbraw/zinc/98/04/60/990980460.db2.gz OPOGWQIAKYKUAR-GFCCVEGCSA-N 2 0 214.353 1.374 20 0 BDADRP CCOC(=O)CCC[C@H](C)[N@H+](C)C[C@H](C)C[NH3+] ZINC001258113458 991021624 /nfs/dbraw/zinc/02/16/24/991021624.db2.gz WCUIQJNZOGPIHO-NEPJUHHUSA-N 2 0 244.379 1.635 20 0 BDADRP Cc1cnccc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001308555391 991034284 /nfs/dbraw/zinc/03/42/84/991034284.db2.gz VOMWUDIWFOBCSF-QLFBSQMISA-N 2 0 245.370 1.820 20 0 BDADRP C[C@H](Cc1ccco1)NC(=[NH2+])SCC[NH3+] ZINC001258180354 991078619 /nfs/dbraw/zinc/07/86/19/991078619.db2.gz MRLISNDFDUYNGI-MRVPVSSYSA-N 2 0 227.333 1.427 20 0 BDADRP Cc1cc(C[NH+]2CCC3(C[NH+](C)C3)CC2)nn1C ZINC001138832244 991084274 /nfs/dbraw/zinc/08/42/74/991084274.db2.gz QINYCOCKFAXZBU-UHFFFAOYSA-N 2 0 248.374 1.256 20 0 BDADRP CC[NH+]1CCC(C[NH2+]CC[C@@H](C)CCO)CC1 ZINC001308780264 991130829 /nfs/dbraw/zinc/13/08/29/991130829.db2.gz IHMVXBOZZKCYLX-CYBMUJFWSA-N 2 0 242.407 1.717 20 0 BDADRP CSCC[C@@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001258227233 991160014 /nfs/dbraw/zinc/16/00/14/991160014.db2.gz WVBYAKHIZAAOKM-UTUOFQBUSA-N 2 0 228.405 1.621 20 0 BDADRP [NH3+]CCOCC[NH2+]C1CCCCCCC1 ZINC001258234289 991176035 /nfs/dbraw/zinc/17/60/35/991176035.db2.gz QKELSSRIELYDIC-UHFFFAOYSA-N 2 0 214.353 1.664 20 0 BDADRP [NH3+]Cc1ccccc1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001340148348 991306427 /nfs/dbraw/zinc/30/64/27/991306427.db2.gz SJQGOWHBVMYGHU-NWDGAFQWSA-N 2 0 247.342 1.145 20 0 BDADRP C[C@H](CC1CC1)[NH+]1CCN(CCC[NH3+])CC1 ZINC001258452157 991402282 /nfs/dbraw/zinc/40/22/82/991402282.db2.gz ZITJHNAWCABFLW-GFCCVEGCSA-N 2 0 225.380 1.141 20 0 BDADRP CCOC(=O)CC[C@@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC001258483441 991454443 /nfs/dbraw/zinc/45/44/43/991454443.db2.gz HUGDJRZSIQVFJH-WOPDTQHZSA-N 2 0 242.363 1.578 20 0 BDADRP CCOC(=O)CC[C@@H](C)[N@H+](C)CCC[NH+](C)C ZINC001258487262 991458931 /nfs/dbraw/zinc/45/89/31/991458931.db2.gz PURUYNWVAUJIOK-GFCCVEGCSA-N 2 0 244.379 1.602 20 0 BDADRP C[C@@H](Cc1cccnc1)[NH+]1CCC(C)([NH3+])CC1 ZINC001258618667 991547326 /nfs/dbraw/zinc/54/73/26/991547326.db2.gz ZKUFGGSKZCKVFO-LBPRGKRZSA-N 2 0 233.359 1.826 20 0 BDADRP CO[C@@H](C)C[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC001560750957 991589304 /nfs/dbraw/zinc/58/93/04/991589304.db2.gz MJGXLYIAFAYWEZ-OLZOCXBDSA-N 2 0 228.380 1.875 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCOCC[NH3+])CC(C)(C)C1 ZINC001258686654 991619458 /nfs/dbraw/zinc/61/94/58/991619458.db2.gz ILLPVYLQJKKFJT-VXGBXAGGSA-N 2 0 228.380 1.766 20 0 BDADRP CN1CCC[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)C1 ZINC001560874258 991632701 /nfs/dbraw/zinc/63/27/01/991632701.db2.gz RSMUGRSGTKOKMW-CYBMUJFWSA-N 2 0 239.407 1.545 20 0 BDADRP CC1(C)C[C@@H]([NH2+]C[C@H]2C[NH+]3CCC2CC3)CO1 ZINC001561034670 991693283 /nfs/dbraw/zinc/69/32/83/991693283.db2.gz YVLKVADBZWRDFF-QWHCGFSZSA-N 2 0 238.375 1.485 20 0 BDADRP C([NH2+][C@@H]1CCCOC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001561034659 991695759 /nfs/dbraw/zinc/69/57/59/991695759.db2.gz YRMPBHPNMAGMSF-CHWSQXEVSA-N 2 0 224.348 1.097 20 0 BDADRP CCC[NH+]1CCC(n2nc(C[NH3+])cc2C)CC1 ZINC001258764905 991726731 /nfs/dbraw/zinc/72/67/31/991726731.db2.gz WFHRVONGAFIDJE-UHFFFAOYSA-N 2 0 236.363 1.697 20 0 BDADRP CCC[NH+]1CCC(n2ccnc2[C@H](C)[NH3+])CC1 ZINC001258767742 991729883 /nfs/dbraw/zinc/72/98/83/991729883.db2.gz KRWNXOAGOXEPBU-NSHDSACASA-N 2 0 236.363 1.950 20 0 BDADRP CCC[NH+]1CCC(N(C)C[C@@H](C)C[NH3+])CC1 ZINC001258769471 991731807 /nfs/dbraw/zinc/73/18/07/991731807.db2.gz PDDJPCLVUBTRKT-LBPRGKRZSA-N 2 0 227.396 1.387 20 0 BDADRP C[C@H]1CCC[C@@H]([NH2+]CCSCC[NH3+])C1 ZINC001258815925 991805237 /nfs/dbraw/zinc/80/52/37/991805237.db2.gz VLFRDBKUARAEQI-WDEREUQCSA-N 2 0 216.394 1.847 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC001258907038 991894858 /nfs/dbraw/zinc/89/48/58/991894858.db2.gz DIJXSAWTJPOAJJ-BFHYXJOUSA-N 2 0 242.407 1.810 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)N1CC([NH3+])C1 ZINC001258898887 991896547 /nfs/dbraw/zinc/89/65/47/991896547.db2.gz XAFMCKBHDCIXKQ-NSHDSACASA-N 2 0 213.369 1.140 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(O)CC1 ZINC001258908478 991898531 /nfs/dbraw/zinc/89/85/31/991898531.db2.gz WBHHGMLBMDAAJG-ZDUSSCGKSA-N 2 0 242.407 1.954 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCN(C)CC1 ZINC001258908604 991901793 /nfs/dbraw/zinc/90/17/93/991901793.db2.gz YOWTXZTXZWMPJB-AWEZNQCLSA-N 2 0 241.423 1.744 20 0 BDADRP CC[NH2+][C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001567053630 991932545 /nfs/dbraw/zinc/93/25/45/991932545.db2.gz AJRLUOMMXHPWDG-NSHDSACASA-N 2 0 243.395 1.079 20 0 BDADRP CCC[N@H+](C)CC(=O)N(C)CCC[NH2+]C(C)C ZINC001569260168 992348926 /nfs/dbraw/zinc/34/89/26/992348926.db2.gz ZWBDMGJBBURFDX-UHFFFAOYSA-N 2 0 243.395 1.175 20 0 BDADRP CC(C)CC[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC001320856397 992383690 /nfs/dbraw/zinc/38/36/90/992383690.db2.gz LKAIMTHOJIUHOR-UHFFFAOYSA-N 2 0 241.423 1.650 20 0 BDADRP CC[N@@H+]1CCC[C@@H](C[NH2+]CC2(OC)CCC2)C1 ZINC001262008498 992591154 /nfs/dbraw/zinc/59/11/54/992591154.db2.gz OOKAOYVHTSNLJH-ZDUSSCGKSA-N 2 0 240.391 1.877 20 0 BDADRP C[NH2+]C[C@H](C)CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC001262202529 992799952 /nfs/dbraw/zinc/79/99/52/992799952.db2.gz WGJNIXZZWXGMBB-RNJOBUHISA-N 2 0 239.407 1.208 20 0 BDADRP C1C[C@H]2C[C@@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)[C@@H]1O2 ZINC001574794551 992906523 /nfs/dbraw/zinc/90/65/23/992906523.db2.gz DUZDEMNLRHYTDP-QQOHENMQSA-N 2 0 236.359 1.284 20 0 BDADRP C([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2)[C@H]1CC[NH2+]1 ZINC001574796586 992910159 /nfs/dbraw/zinc/91/01/59/992910159.db2.gz YHOXXUPXIDMDAK-VOAKCMCISA-N 2 0 236.359 1.286 20 0 BDADRP C(C[C@@H]1CCOC1)[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC001574816461 992918437 /nfs/dbraw/zinc/91/84/37/992918437.db2.gz FQEALWBLVPQNCM-UPJWGTAASA-N 2 0 224.348 1.287 20 0 BDADRP CC(C)(C)[C@@H](CN)[NH2+]Cc1cc[nH]c(=O)c1 ZINC001575107522 992991171 /nfs/dbraw/zinc/99/11/71/992991171.db2.gz DIDRROYNDOXWLH-SNVBAGLBSA-N 2 0 223.320 1.250 20 0 BDADRP CC(C)(C)CC[C@@H](CO)[NH2+]CC(C)(C)C[NH3+] ZINC001575130291 992995078 /nfs/dbraw/zinc/99/50/78/992995078.db2.gz IUTFPXHZGZSZHQ-NSHDSACASA-N 2 0 230.396 1.748 20 0 BDADRP CC(C)(C)c1nnc(C[NH2+]C2CC3(C[C@H]3[NH3+])C2)[nH]1 ZINC001575283116 993005013 /nfs/dbraw/zinc/00/50/13/993005013.db2.gz ZOEAEOXXZMVZOF-XQVHRTOBSA-N 2 0 249.362 1.072 20 0 BDADRP c1cc(NC[C@@H]2CC[N@@H+]2C2CCCC2)cc[nH+]1 ZINC001262672611 993016592 /nfs/dbraw/zinc/01/65/92/993016592.db2.gz FYGWNDKWLNECIQ-AWEZNQCLSA-N 2 0 231.343 1.932 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1Nc1cc[nH+]cc1 ZINC001262686407 993027288 /nfs/dbraw/zinc/02/72/88/993027288.db2.gz IVPZJJQCKCSVPF-ZWNOBZJWSA-N 2 0 217.316 1.398 20 0 BDADRP CC(C)[C@@](C)(C[NH3+])NC[C@H]1CCC[N@@H+]1C ZINC001575409344 993037118 /nfs/dbraw/zinc/03/71/18/993037118.db2.gz BIKNAOXDFNKFCM-VXGBXAGGSA-N 2 0 213.369 1.044 20 0 BDADRP CC(C)[C@H](C[NH3+])C[NH2+]CCO[C@H]1CCCCO1 ZINC001575422877 993039377 /nfs/dbraw/zinc/03/93/77/993039377.db2.gz NTDIWFMYGRATFG-OLZOCXBDSA-N 2 0 244.379 1.350 20 0 BDADRP CC(C)[C@H](C[NH3+])C[N@@H+]1CCc2ccc(O)cc2C1 ZINC001575421951 993040038 /nfs/dbraw/zinc/04/00/38/993040038.db2.gz DEXRIZDMFBXKMC-CQSZACIVSA-N 2 0 248.370 1.981 20 0 BDADRP CC(C)[C@@H](C[NH3+])C[N@H+](C)C1CCS(=O)CC1 ZINC001575422014 993040352 /nfs/dbraw/zinc/04/03/52/993040352.db2.gz FSOLSQJKSRTRPN-FZWSLVFFSA-N 2 0 246.420 1.060 20 0 BDADRP CC(C)[C@H](C[NH3+])C[NH2+][C@H](CO)CC1CCC1 ZINC001575423493 993041050 /nfs/dbraw/zinc/04/10/50/993041050.db2.gz VLZNXFGIPYAAQX-OLZOCXBDSA-N 2 0 228.380 1.358 20 0 BDADRP CC(C)[C@@H](CO)C[NH2+]C[C@H](N)CC(F)(F)F ZINC001575436505 993043852 /nfs/dbraw/zinc/04/38/52/993043852.db2.gz ZPVOZHWIRHHZMT-RKDXNWHRSA-N 2 0 242.285 1.120 20 0 BDADRP CC(C)[C@H](O)CC[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC001575472977 993051266 /nfs/dbraw/zinc/05/12/66/993051266.db2.gz ROGJPFGAHPOYFH-XQQFMLRXSA-N 2 0 226.364 1.207 20 0 BDADRP CC(C)[C@H](O)CC[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC001575471553 993051668 /nfs/dbraw/zinc/05/16/68/993051668.db2.gz JOAMPCXKCQHWSP-QJPTWQEYSA-N 2 0 214.353 1.110 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]([NH3+])C2)CCO1 ZINC001575497665 993055425 /nfs/dbraw/zinc/05/54/25/993055425.db2.gz GCGPTAKFVQPYGX-KKOKHZNYSA-N 2 0 212.337 1.269 20 0 BDADRP CC(C)C[C@H](CO)[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001575545113 993069044 /nfs/dbraw/zinc/06/90/44/993069044.db2.gz LANVGGMNEJDYTI-CHWSQXEVSA-N 2 0 228.380 1.325 20 0 BDADRP CC(C)C[N@H+](C)CCC[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001575591050 993077398 /nfs/dbraw/zinc/07/73/98/993077398.db2.gz FGRBOMCAXSIMNC-ROKHWSDSSA-N 3 0 239.407 1.434 20 0 BDADRP CC(C)[C@H](CO)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC001575831365 993110272 /nfs/dbraw/zinc/11/02/72/993110272.db2.gz NAPUWPUYZNLMCM-ZDUSSCGKSA-N 2 0 222.332 1.252 20 0 BDADRP C[C@H](CC[NH3+])[NH2+]Cc1ccc2nonc2c1 ZINC001575961752 993140602 /nfs/dbraw/zinc/14/06/02/993140602.db2.gz HGSDNXVHVZFXFZ-MRVPVSSYSA-N 2 0 220.276 1.050 20 0 BDADRP C[C@H](C[NH3+])CNc1cc[nH+]cc1C(F)(F)F ZINC001575989379 993153086 /nfs/dbraw/zinc/15/30/86/993153086.db2.gz WRDDEVRYDHBAIT-SSDOTTSWSA-N 2 0 233.237 1.529 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC001263187078 993156869 /nfs/dbraw/zinc/15/68/69/993156869.db2.gz YUEYIFPIPMRNQB-GIPNMCIBSA-N 2 0 247.342 1.044 20 0 BDADRP CC(C)OC[C@H](C)[NH2+]C1CC2(CC([NH3+])C2)C1 ZINC001576042304 993165424 /nfs/dbraw/zinc/16/54/24/993165424.db2.gz UMZCZPODMGRFQN-DCNVRKPOSA-N 2 0 226.364 1.659 20 0 BDADRP C[C@H]([N@H+](C)C[C@H]1CC[C@@H]([NH3+])C1)C(C)(C)O ZINC001576081770 993173942 /nfs/dbraw/zinc/17/39/42/993173942.db2.gz QHOSWFJJYLMTAM-GARJFASQSA-N 2 0 214.353 1.205 20 0 BDADRP C[C@@H]([NH3+])CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001576153512 993192707 /nfs/dbraw/zinc/19/27/07/993192707.db2.gz VAUQVUPBYPNJMQ-LLVKDONJSA-N 2 0 241.379 1.057 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001576153299 993192803 /nfs/dbraw/zinc/19/28/03/993192803.db2.gz SBKZXNAVEHQNPW-SRRSOLGSSA-N 2 0 236.363 1.239 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[NH2+][C@@H]1C)C1CCOCC1 ZINC001576252797 993220699 /nfs/dbraw/zinc/22/06/99/993220699.db2.gz TXHMITURNDSSDU-UMNHJUIQSA-N 2 0 212.337 1.142 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]C[C@@H](CO)CC1CC1 ZINC001576384663 993292583 /nfs/dbraw/zinc/29/25/83/993292583.db2.gz VODWOEQKPXBLOY-QJPTWQEYSA-N 2 0 226.364 1.110 20 0 BDADRP CC1(C)C[C@H](O)C[N@H+](CC2(C[NH3+])CCC2)C1 ZINC001576395185 993295271 /nfs/dbraw/zinc/29/52/71/993295271.db2.gz YXBFPZKRAPZROB-NSHDSACASA-N 2 0 226.364 1.208 20 0 BDADRP C[NH+](C)[C@H](CNc1cc[nH+]cc1)C1CC1 ZINC000379959743 993295609 /nfs/dbraw/zinc/29/56/09/993295609.db2.gz WMZIEGDLOOKBGM-GFCCVEGCSA-N 2 0 205.305 1.256 20 0 BDADRP CC1(C)C[C@@H](C[NH2+]C[C@@H]2CCC[NH2+]C2)CCO1 ZINC001576395494 993295641 /nfs/dbraw/zinc/29/56/41/993295641.db2.gz OANRNNVPFTXAFH-QWHCGFSZSA-N 2 0 240.391 1.781 20 0 BDADRP CC1(C)CCN(CC[NH2+]C2CC3(C[C@@H]3[NH3+])C2)C1 ZINC001576440003 993307698 /nfs/dbraw/zinc/30/76/98/993307698.db2.gz ICOXYQDUNOVMRQ-LXVYMNJGSA-N 2 0 237.391 1.188 20 0 BDADRP CC1(C)CN([C@@H]2CCC[NH2+]C2)CCCO1 ZINC000380127980 993314739 /nfs/dbraw/zinc/31/47/39/993314739.db2.gz SFDFMDPXZWIVAV-LLVKDONJSA-N 2 0 212.337 1.239 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H](C)CCO ZINC000380171895 993318746 /nfs/dbraw/zinc/31/87/46/993318746.db2.gz HWZKNEFAFSJTHI-NEPJUHHUSA-N 2 0 216.369 1.467 20 0 BDADRP Cc1nn(C)cc1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC000380242853 993322227 /nfs/dbraw/zinc/32/22/27/993322227.db2.gz WIFCJRGQEMUNIY-GFCCVEGCSA-N 2 0 236.363 1.289 20 0 BDADRP C[C@@]1(C[N@@H+]2CC[C@@H](C[NH3+])C2)CCCCO1 ZINC001576504000 993323962 /nfs/dbraw/zinc/32/39/62/993323962.db2.gz ZYJIZVINHGJVNC-RYUDHWBXSA-N 2 0 212.337 1.226 20 0 BDADRP C[C@@]1(C[N@@H+]2CC[C@H](C[NH3+])C2)CCCCO1 ZINC001576503998 993325624 /nfs/dbraw/zinc/32/56/24/993325624.db2.gz ZYJIZVINHGJVNC-NEPJUHHUSA-N 2 0 212.337 1.226 20 0 BDADRP C[C@@H]1[C@H](CO)CC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001576571904 993348574 /nfs/dbraw/zinc/34/85/74/993348574.db2.gz HDMIDCMIDHVLJW-AGIUHOORSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CCO[C@H](C)C2)C[C@H]1C[NH3+] ZINC001576596852 993361084 /nfs/dbraw/zinc/36/10/84/993361084.db2.gz AVIRILROUCREFQ-FVCCEPFGSA-N 2 0 226.364 1.328 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+]C2CC3(C[C@@H]3[NH3+])C2)[C@H](C)O1 ZINC001576597560 993362124 /nfs/dbraw/zinc/36/21/24/993362124.db2.gz GINHSBSWHVKFMU-MIFICFDSSA-N 2 0 224.348 1.269 20 0 BDADRP C[C@H]1CC2(CC([NH2+][C@H]3C[C@@H]([NH3+])C3)C2)CO1 ZINC001576637875 993375674 /nfs/dbraw/zinc/37/56/74/993375674.db2.gz XCMSAZSOUPAIDV-VVZSVHDDSA-N 2 0 210.321 1.023 20 0 BDADRP C[C@@H]1CC[C@](CO)([N@H+](C)CCCCCC[NH3+])C1 ZINC001576652793 993384039 /nfs/dbraw/zinc/38/40/39/993384039.db2.gz YUKFBHWIVMAPMJ-KGLIPLIRSA-N 2 0 242.407 1.988 20 0 BDADRP C[C@@H]1CC[C@@H](C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)O1 ZINC001576648958 993384049 /nfs/dbraw/zinc/38/40/49/993384049.db2.gz CNTRSWCCAVRNNT-NDBYEHHHSA-N 2 0 224.348 1.095 20 0 BDADRP CC(C)[C@@H](O)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000381522686 993402399 /nfs/dbraw/zinc/40/23/99/993402399.db2.gz VGGSDYFGVOEYGB-BPCQOVAHSA-N 2 0 228.380 1.466 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@]2(O)CC[NH2+]C2)CC1(C)C ZINC001576729690 993409055 /nfs/dbraw/zinc/40/90/55/993409055.db2.gz WCTPPPJWXGEMAD-YPMHNXCESA-N 2 0 226.364 1.079 20 0 BDADRP C[C@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1O ZINC001576729535 993410056 /nfs/dbraw/zinc/41/00/56/993410056.db2.gz QEDCICAIHADYSM-APYLGABCSA-N 2 0 238.375 1.220 20 0 BDADRP C[C@@H]1C[N@H+](C[C@]2(C)CCCCO2)CC[C@@H]1[NH3+] ZINC001576801698 993428898 /nfs/dbraw/zinc/42/88/98/993428898.db2.gz UCVJAIKDISDKTQ-AGIUHOORSA-N 2 0 226.364 1.615 20 0 BDADRP C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC001576852112 993433314 /nfs/dbraw/zinc/43/33/14/993433314.db2.gz AZEVZNMRVDXKHM-WISYIIOYSA-N 2 0 226.364 1.374 20 0 BDADRP C[C@@H]1COCC[C@H]1[NH2+]C1CC2(CC([NH3+])C2)C1 ZINC001576853126 993434172 /nfs/dbraw/zinc/43/41/72/993434172.db2.gz HETOEPBBLPDKCP-IELNECDZSA-N 2 0 224.348 1.271 20 0 BDADRP C[C@@H](C[NH3+])CN[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382028574 993436446 /nfs/dbraw/zinc/43/64/46/993436446.db2.gz CCTUAMCFVLGZFV-ZFWWWQNUSA-N 2 0 247.386 1.445 20 0 BDADRP CCC(C)(C)[C@H](C)[NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC001576941383 993459956 /nfs/dbraw/zinc/45/99/56/993459956.db2.gz HKEMNIYZSKPEDD-RYUDHWBXSA-N 2 0 240.391 1.922 20 0 BDADRP Cc1c(C[N@@H+]2CCCC[C@H](C[NH3+])C2)cnn1C ZINC000382511220 993462806 /nfs/dbraw/zinc/46/28/06/993462806.db2.gz YXMLSPKRKBSANE-GFCCVEGCSA-N 2 0 236.363 1.289 20 0 BDADRP CC[C@](C)(C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1)OC ZINC001576949920 993464182 /nfs/dbraw/zinc/46/41/82/993464182.db2.gz VYAAFNREJQYHDM-FRRDWIJNSA-N 2 0 226.364 1.343 20 0 BDADRP CC[C@](C)(O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC001576959807 993467717 /nfs/dbraw/zinc/46/77/17/993467717.db2.gz HZAGKLRULGIKBM-RDBSUJKOSA-N 2 0 240.391 1.469 20 0 BDADRP CC[C@H](C)[C@@H](C[NH+]1CC2(C1)CC[NH2+]CC2)OC ZINC001576960517 993468095 /nfs/dbraw/zinc/46/80/95/993468095.db2.gz FCRHTAGPKHBLHA-QWHCGFSZSA-N 2 0 240.391 1.733 20 0 BDADRP CC[C@](C)(O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC001576959806 993468490 /nfs/dbraw/zinc/46/84/90/993468490.db2.gz HZAGKLRULGIKBM-MJBXVCDLSA-N 2 0 240.391 1.469 20 0 BDADRP CC[C@H](C)[C@@H](CN[C@@H](C)C[NH2+]C)OC ZINC001576972563 993469576 /nfs/dbraw/zinc/46/95/76/993469576.db2.gz SYFYRTLLDRALAQ-GARJFASQSA-N 2 0 202.342 1.245 20 0 BDADRP CC[C@H](C)[N@@H+](CC(=O)OC)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576996725 993482916 /nfs/dbraw/zinc/48/29/16/993482916.db2.gz WIYBPXFHELPBQC-SDDRHHMPSA-N 2 0 242.363 1.387 20 0 BDADRP C[N@H+](CC1CC(F)(F)C1)CC1CC[NH2+]CC1 ZINC000383201265 993484716 /nfs/dbraw/zinc/48/47/16/993484716.db2.gz WUZZISUWDROLPC-UHFFFAOYSA-N 2 0 232.318 1.963 20 0 BDADRP CCC(CC)(C[NH3+])CN[C@@H](C)C[NH+](C)C ZINC001577052408 993488847 /nfs/dbraw/zinc/48/88/47/993488847.db2.gz SCXYWFWLGDDNSL-NSHDSACASA-N 2 0 215.385 1.291 20 0 BDADRP CCC(CC)(C[NH3+])C[NH2+][C@H]1C[C@@H](C(=O)OC)C1 ZINC001577052440 993489514 /nfs/dbraw/zinc/48/95/14/993489514.db2.gz WIQSPNKRGBJVGZ-PHIMTYICSA-N 2 0 242.363 1.293 20 0 BDADRP CCC(CC)(C[NH3+])C[NH2+][C@@H](C)C[S@@](C)=O ZINC001577051832 993489628 /nfs/dbraw/zinc/48/96/28/993489628.db2.gz AKOQUVIUFYPHMV-ZUZCIYMTSA-N 2 0 234.409 1.108 20 0 BDADRP CC[C@H](COC)[NH2+]C1CC2(CC([NH3+])C2)C1 ZINC001577092897 993495276 /nfs/dbraw/zinc/49/52/76/993495276.db2.gz KXAKDDGXUVOUPL-HPDCSRJSSA-N 2 0 212.337 1.271 20 0 BDADRP CC[C@@H](CSC)[NH2+]C[C@@H]([NH3+])CCOC ZINC001577092846 993502314 /nfs/dbraw/zinc/50/23/14/993502314.db2.gz JIZYJLLLYCNXJV-UWVGGRQHSA-N 2 0 220.382 1.081 20 0 BDADRP CC[C@H](O)C[N@@H+]1C[C@H]2CCCC[C@]2(C[NH3+])C1 ZINC001577182818 993538157 /nfs/dbraw/zinc/53/81/57/993538157.db2.gz SZDBUPONQGQPQA-AGIUHOORSA-N 2 0 226.364 1.208 20 0 BDADRP CC[C@H]1C[N@H+](C)CCN1C[C@@H]1CCC[NH2+]C1 ZINC001577280109 993581157 /nfs/dbraw/zinc/58/11/57/993581157.db2.gz XOTCNUPECYKTET-OLZOCXBDSA-N 2 0 225.380 1.012 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)N1CC[C@@H]([N@H+](C)CC)C1 ZINC001577328612 993596562 /nfs/dbraw/zinc/59/65/62/993596562.db2.gz UGEBTIWZEXQEMH-DGCLKSJQSA-N 2 0 241.379 1.057 20 0 BDADRP CCC[C@H](C)[C@@H](CO)[NH2+]CC12CC(C1)C[NH2+]2 ZINC001577336619 993603606 /nfs/dbraw/zinc/60/36/06/993603606.db2.gz SQANHIKVRIJNET-GMKTYKIGSA-N 2 0 226.364 1.125 20 0 BDADRP CCC[C@@H](O)C[N@H+](C)CC1CC[NH2+]CC1 ZINC001577370365 993628910 /nfs/dbraw/zinc/62/89/10/993628910.db2.gz YXPUCMUFBOSCLI-GFCCVEGCSA-N 2 0 214.353 1.079 20 0 BDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC001577444875 993658811 /nfs/dbraw/zinc/65/88/11/993658811.db2.gz HKDIGEMHYABWTE-WOPDTQHZSA-N 2 0 243.395 1.206 20 0 BDADRP CCCC[N@@H+]1CCCC[C@H]1CNCC(C)(C)[NH3+] ZINC001577457804 993668772 /nfs/dbraw/zinc/66/87/72/993668772.db2.gz GDBHENRDPRXFOE-ZDUSSCGKSA-N 2 0 241.423 1.968 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001577510513 993668973 /nfs/dbraw/zinc/66/89/73/993668973.db2.gz QHGJQGFXTNTCLA-RDBSUJKOSA-N 2 0 241.423 1.837 20 0 BDADRP CCCN(CCC[NH+](C)C)C(=O)C(C)(C)C[NH3+] ZINC001577519675 993676609 /nfs/dbraw/zinc/67/66/09/993676609.db2.gz SDHHKDRYTKAINM-UHFFFAOYSA-N 2 0 243.395 1.162 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)[C@H](C)C[NH2+]C ZINC001577510323 993677461 /nfs/dbraw/zinc/67/74/61/993677461.db2.gz KFTDRRVJXOJXFQ-NEPJUHHUSA-N 2 0 243.395 1.079 20 0 BDADRP CCCc1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC001577609137 993695194 /nfs/dbraw/zinc/69/51/94/993695194.db2.gz YAEARNVNFRSPPE-LSDHHAIUSA-N 2 0 248.370 1.309 20 0 BDADRP CCN(C)[C@@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC001577654775 993707543 /nfs/dbraw/zinc/70/75/43/993707543.db2.gz HDTJDOUTHXBACV-QWHCGFSZSA-N 2 0 225.380 1.012 20 0 BDADRP C[C@@H](CC(F)(F)F)[NH2+]CCSCC[NH3+] ZINC000389718318 993765047 /nfs/dbraw/zinc/76/50/47/993765047.db2.gz BYCDNXPFEQKRPN-ZETCQYMHSA-N 2 0 230.299 1.609 20 0 BDADRP COCCCC[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC000393219474 993913532 /nfs/dbraw/zinc/91/35/32/993913532.db2.gz SSDZUVOLGZGEGB-NSHDSACASA-N 2 0 200.326 1.226 20 0 BDADRP CN(C)CC1([NH2+]CC2CC[NH+](C)CC2)CCC1 ZINC000393551202 993962687 /nfs/dbraw/zinc/96/26/87/993962687.db2.gz SMROFTOLXCIYBZ-UHFFFAOYSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@H](O)[C@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001308040229 995531257 /nfs/dbraw/zinc/53/12/57/995531257.db2.gz KLOLVBQWNACVRO-AGIUHOORSA-N 2 0 249.358 1.361 20 0 BDADRP C[NH2+][C@@H](C)C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000518794632 349487438 /nfs/dbraw/zinc/48/74/38/349487438.db2.gz KSNRZYKFMCNLPA-AAEUAGOBSA-N 2 0 249.358 1.191 20 0 BDADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)C(C)C)CC1 ZINC000155605173 136213175 /nfs/dbraw/zinc/21/31/75/136213175.db2.gz YXYHOQWVCVGSCE-UONOGXRCSA-N 2 0 241.423 1.647 20 0 BDADRP C[C@H](CCO)[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000649869706 398155453 /nfs/dbraw/zinc/15/54/53/398155453.db2.gz KJFLMZISFSGHIS-NEPJUHHUSA-N 2 0 214.353 1.173 20 0 BDADRP C[C@H](C[C@H]1CCCO1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422907816 398157854 /nfs/dbraw/zinc/15/78/54/398157854.db2.gz XRTCYNWKPZAHPO-YVECIDJPSA-N 2 0 226.364 1.674 20 0 BDADRP Cc1sccc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000379797955 398168931 /nfs/dbraw/zinc/16/89/31/398168931.db2.gz KZIXEDNRVIMWAZ-VXGBXAGGSA-N 2 0 222.357 1.708 20 0 BDADRP CC(C)[N@@H+]1CCCN(C(=O)CC(C)(C)[NH3+])CC1 ZINC000649374120 398183186 /nfs/dbraw/zinc/18/31/86/398183186.db2.gz XCXKXFGGUAAKDP-UHFFFAOYSA-N 2 0 241.379 1.057 20 0 BDADRP C[N@H+](CCc1cn[nH]c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000380017736 398181451 /nfs/dbraw/zinc/18/14/51/398181451.db2.gz CUWLGHQIFBVWPN-FUNVUKJBSA-N 2 0 234.347 1.167 20 0 BDADRP CC[C@H]([NH2+][C@H]1CCO[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000423019748 398161163 /nfs/dbraw/zinc/16/11/63/398161163.db2.gz WZTQLIWFJZJVAJ-VOAKCMCISA-N 2 0 226.364 1.674 20 0 BDADRP COCC[C@](C)(O)C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422976800 398161219 /nfs/dbraw/zinc/16/12/19/398161219.db2.gz JBBXVBLYPUBIMM-AGIUHOORSA-N 2 0 244.379 1.024 20 0 BDADRP CC[NH+](CC)CCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000415098004 398161775 /nfs/dbraw/zinc/16/17/75/398161775.db2.gz DTIUBZHGBXMPBK-UHFFFAOYSA-N 2 0 241.423 1.825 20 0 BDADRP CCc1nnc([C@H](C)[NH2+][C@H](C)CCCC[NH3+])[nH]1 ZINC000423021514 398161914 /nfs/dbraw/zinc/16/19/14/398161914.db2.gz FNDSFGJYUILOJZ-ZJUUUORDSA-N 2 0 239.367 1.535 20 0 BDADRP COCC1(CC[NH2+][C@H](C)C[C@H](C)[NH3+])CC1 ZINC000576227804 365530124 /nfs/dbraw/zinc/53/01/24/365530124.db2.gz IZNDXUDENHYHTH-WDEREUQCSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC(C)(C)CO)CC[N@@H+]1C ZINC000385933743 398192509 /nfs/dbraw/zinc/19/25/09/398192509.db2.gz VEKVLMDVKBALBL-VXGBXAGGSA-N 2 0 228.380 1.467 20 0 BDADRP O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647795769 398194502 /nfs/dbraw/zinc/19/45/02/398194502.db2.gz VTQWNBJXWFEQSZ-XVIXHAIJSA-N 2 0 238.375 1.268 20 0 BDADRP C[C@H]([NH2+]C1CCC(CO)CC1)[C@@H]1CCCC[NH2+]1 ZINC000386007371 398194564 /nfs/dbraw/zinc/19/45/64/398194564.db2.gz LXYUMJQNINQUKO-ABXWRUBCSA-N 2 0 240.391 1.658 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCS[C@@H]1C ZINC000380364209 398196260 /nfs/dbraw/zinc/19/62/60/398196260.db2.gz ZWXFRUCQDOXZDY-VWYCJHECSA-N 2 0 232.393 1.224 20 0 BDADRP COC[C@H](C)C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000576250557 365538089 /nfs/dbraw/zinc/53/80/89/365538089.db2.gz ATCNTIJUZNNMDN-GHMZBOCLSA-N 2 0 200.326 1.001 20 0 BDADRP CC(C)C[NH+]1CCN([C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000162660758 538923901 /nfs/dbraw/zinc/92/39/01/538923901.db2.gz JDZKZGHUUBDPBS-ZIAGYGMSSA-N 2 0 239.407 1.401 20 0 BDADRP Cc1cc(N2C[C@H]3C[NH2+]C[C@H]3C2)cc[nH+]1 ZINC000229576343 178120282 /nfs/dbraw/zinc/12/02/82/178120282.db2.gz IARKYWMUAFJDGM-PHIMTYICSA-N 2 0 203.289 1.046 20 0 BDADRP CC(C)C[NH+]1CCN([C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000162660877 538924068 /nfs/dbraw/zinc/92/40/68/538924068.db2.gz JDZKZGHUUBDPBS-UONOGXRCSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](CCO)C(C)(C)C ZINC000336706199 398204352 /nfs/dbraw/zinc/20/43/52/398204352.db2.gz RLWMDOJFHKQNKO-QWRGUYRKSA-N 2 0 216.369 1.501 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H](CCO)C(C)(C)C ZINC000336706197 398204510 /nfs/dbraw/zinc/20/45/10/398204510.db2.gz RLWMDOJFHKQNKO-GHMZBOCLSA-N 2 0 216.369 1.501 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCS[C@H]1C ZINC000647803967 398214518 /nfs/dbraw/zinc/21/45/18/398214518.db2.gz GGOCRYXUECNZOK-AATLWQCWSA-N 2 0 202.367 1.596 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCc2cn[nH]c2)C1 ZINC000381009220 398218329 /nfs/dbraw/zinc/21/83/29/398218329.db2.gz ROPPZXNOPPVMRA-PWSUYJOCSA-N 2 0 222.336 1.011 20 0 BDADRP CCC(CC)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000336712879 168353465 /nfs/dbraw/zinc/35/34/65/168353465.db2.gz RAHMDCOBESIWKX-AWEZNQCLSA-N 2 0 239.407 1.402 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]CC2([NH3+])CCC2)C1 ZINC000643517923 398231306 /nfs/dbraw/zinc/23/13/06/398231306.db2.gz AVWLZCFAEBZHQQ-WDEREUQCSA-N 2 0 212.337 1.415 20 0 BDADRP CCC[C@H]([NH3+])C(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000092630160 398235817 /nfs/dbraw/zinc/23/58/17/398235817.db2.gz WIMMSFWAPMHUPL-NEPJUHHUSA-N 2 0 241.379 1.057 20 0 BDADRP C[C@H]1C[C@@H](N(C)C2CC[NH+](C)CC2)CC[NH2+]1 ZINC000229539075 538939471 /nfs/dbraw/zinc/93/94/71/538939471.db2.gz KBXISIOZTSHBLY-AAEUAGOBSA-N 2 0 225.380 1.153 20 0 BDADRP O[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000252791091 136226973 /nfs/dbraw/zinc/22/69/73/136226973.db2.gz SYXQEORIHDDVFO-FRRDWIJNSA-N 2 0 226.364 1.269 20 0 BDADRP CC[C@H](C)[C@@H](C[NH2+]CCC[NH+](C)C)OC ZINC000381267027 398242102 /nfs/dbraw/zinc/24/21/02/398242102.db2.gz GNZJKDRBUSRXFK-NWDGAFQWSA-N 2 0 216.369 1.589 20 0 BDADRP COC(C)(C)[C@@H](C)[NH2+][C@H]1CCN(CC2CC2)C1 ZINC000645406965 398246562 /nfs/dbraw/zinc/24/65/62/398246562.db2.gz MQRDWELAGXBECP-YPMHNXCESA-N 2 0 240.391 1.874 20 0 BDADRP COCC[C@H](C)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000390816896 398250327 /nfs/dbraw/zinc/25/03/27/398250327.db2.gz MYTXWSOALJDKHS-TUAOUCFPSA-N 2 0 212.337 1.095 20 0 BDADRP C([NH2+][C@@H]1CC[C@@H]1C1CC1)C1CC[NH2+]CC1 ZINC000576626518 365641089 /nfs/dbraw/zinc/64/10/89/365641089.db2.gz JQXYSURRSOMSLM-CHWSQXEVSA-N 2 0 208.349 1.764 20 0 BDADRP CCC(CC)[N@H+](CCOCC[NH3+])C1CC1 ZINC000381357037 398254212 /nfs/dbraw/zinc/25/42/12/398254212.db2.gz CZBKRIGKTYNGQH-UHFFFAOYSA-N 2 0 214.353 1.615 20 0 BDADRP CC[C@H](C)[C@@H](C[NH2+]C[C@@H]1CCC[N@H+](C)C1)OC ZINC000381337601 398252669 /nfs/dbraw/zinc/25/26/69/398252669.db2.gz AUEJXUFGEUESIB-MELADBBJSA-N 2 0 242.407 1.979 20 0 BDADRP Cc1nccn1CC[NH+]1[C@@H](C)CC(O)C[C@@H]1C ZINC000334538642 136230657 /nfs/dbraw/zinc/23/06/57/136230657.db2.gz DVIHNSAOQLMOFI-QWRGUYRKSA-N 2 0 237.347 1.425 20 0 BDADRP CCC(CC)[N@H+](CCC[NH3+])CCOC ZINC000042614254 168372253 /nfs/dbraw/zinc/37/22/53/168372253.db2.gz PQGLISWUBIMHSQ-UHFFFAOYSA-N 2 0 202.342 1.472 20 0 BDADRP C[C@H]([NH2+]C1CCC(CO)CC1)[C@H]1CCC[NH2+]1 ZINC000400696194 398267258 /nfs/dbraw/zinc/26/72/58/398267258.db2.gz JCMPIHOPPVFZLQ-YWPUVAFDSA-N 2 0 226.364 1.268 20 0 BDADRP Cn1cc(CCC[NH2+][C@@H]2CCN(C3CC3)C2)cn1 ZINC000178474463 538953083 /nfs/dbraw/zinc/95/30/83/538953083.db2.gz HKQROXKZWJCUKE-CYBMUJFWSA-N 2 0 248.374 1.179 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2c[nH]nc2C)C1 ZINC000180155354 538957394 /nfs/dbraw/zinc/95/73/94/538957394.db2.gz KWZYMDKSFGCKAN-CMPLNLGQSA-N 2 0 236.363 1.711 20 0 BDADRP Cc1n[nH]cc1[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000180459786 538958537 /nfs/dbraw/zinc/95/85/37/538958537.db2.gz MQZDCXRYSXHIDS-JTQLQIEISA-N 2 0 236.363 1.711 20 0 BDADRP COC[C@@H](C)C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000580289580 346857283 /nfs/dbraw/zinc/85/72/83/346857283.db2.gz KZKOPZXZEJFRBG-WDEREUQCSA-N 2 0 200.326 1.001 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc2c[nH]nc2c1 ZINC000583329757 342696801 /nfs/dbraw/zinc/69/68/01/342696801.db2.gz ANYQKHIJAVRJHR-ZWNOBZJWSA-N 2 0 244.342 1.875 20 0 BDADRP COCCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000037221203 538961974 /nfs/dbraw/zinc/96/19/74/538961974.db2.gz DXMBCUVDTFSVPZ-NSHDSACASA-N 2 0 214.353 1.343 20 0 BDADRP CC[C@H](CO)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000037221574 538962066 /nfs/dbraw/zinc/96/20/66/538962066.db2.gz NTVUKZDCWQLWGJ-ZYHUDNBSSA-N 2 0 214.353 1.077 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@H](C)OC)CC1 ZINC000167040676 361860322 /nfs/dbraw/zinc/86/03/22/361860322.db2.gz HCOYLQADBGGDFW-NSHDSACASA-N 2 0 214.353 1.485 20 0 BDADRP C[C@H](c1ccccn1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631838148 398284098 /nfs/dbraw/zinc/28/40/98/398284098.db2.gz JOGYLPHSCQKIFH-IJLUTSLNSA-N 2 0 219.332 1.669 20 0 BDADRP Cc1cc(CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)on1 ZINC000581835024 342811313 /nfs/dbraw/zinc/81/13/13/342811313.db2.gz KCSRZMZPSISTMV-MNOVXSKESA-N 2 0 223.320 1.385 20 0 BDADRP C[C@H]([NH2+][C@H]1CCCN(C)C1)C1CC[NH+](C)CC1 ZINC000040672693 538972584 /nfs/dbraw/zinc/97/25/84/538972584.db2.gz WNOARXGTKWIIPU-JSGCOSHPSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@H]([NH2+]Cc1cc[nH]n1)C1CC[NH+](C)CC1 ZINC000041014952 538974156 /nfs/dbraw/zinc/97/41/56/538974156.db2.gz OODFARVKYIBBPK-JTQLQIEISA-N 2 0 222.336 1.230 20 0 BDADRP Cc1cc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)on1 ZINC000044986339 538991038 /nfs/dbraw/zinc/99/10/38/538991038.db2.gz IHUPTFHFGFQZGN-LLVKDONJSA-N 2 0 237.347 1.803 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+]Cc2cn[nH]c2)CC1 ZINC000381454649 539001066 /nfs/dbraw/zinc/00/10/66/539001066.db2.gz IYTJXJOQADRCRN-UHFFFAOYSA-N 2 0 222.336 1.231 20 0 BDADRP Cc1ncc(C[NH2+]C2CCC(O)CC2)n1C ZINC000668006301 488182581 /nfs/dbraw/zinc/18/25/81/488182581.db2.gz POXXUEMWIIGUBP-UHFFFAOYSA-N 2 0 223.320 1.122 20 0 BDADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](C[C@H]1CCCCO1)C2 ZINC000382493516 361950675 /nfs/dbraw/zinc/95/06/75/361950675.db2.gz OCNXGWYRISNXKY-MJBXVCDLSA-N 2 0 238.375 1.616 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+]CCC1CCOCC1 ZINC000390175485 539020221 /nfs/dbraw/zinc/02/02/21/539020221.db2.gz IBNSXUARAFRBDC-GFCCVEGCSA-N 2 0 228.380 1.733 20 0 BDADRP C[NH+](C)[C@H]1CCCN(C[C@H]2CCC[N@@H+]2C)C1 ZINC000649506087 398299715 /nfs/dbraw/zinc/29/97/15/398299715.db2.gz ATTILOFUSSKPID-QWHCGFSZSA-N 2 0 225.380 1.107 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCSC1 ZINC000335646743 136243930 /nfs/dbraw/zinc/24/39/30/136243930.db2.gz MILUSJLVGCIJMV-UWVGGRQHSA-N 2 0 214.378 1.470 20 0 BDADRP CC(C)(C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000300230572 259326911 /nfs/dbraw/zinc/32/69/11/259326911.db2.gz BIBQEOWUDDCYOX-TUAOUCFPSA-N 2 0 228.380 1.643 20 0 BDADRP CC[N@@H+]1CC[C@H](N[C@@H]2C[C@@H](C)[NH+](C)C[C@H]2C)C1 ZINC000389206767 398306346 /nfs/dbraw/zinc/30/63/46/398306346.db2.gz ZWWHCZLTSGVBCP-YIYPIFLZSA-N 2 0 239.407 1.399 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C1(C)C ZINC000300392914 259326988 /nfs/dbraw/zinc/32/69/88/259326988.db2.gz WCNAWOGZIQSAJG-FIQHERPVSA-N 2 0 226.364 1.659 20 0 BDADRP COC[C@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000037209121 398311604 /nfs/dbraw/zinc/31/16/04/398311604.db2.gz YEHJMYFFDBPKJQ-QWRGUYRKSA-N 2 0 214.353 1.341 20 0 BDADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CCn3ccnc32)CC1 ZINC000333282998 398316887 /nfs/dbraw/zinc/31/68/87/398316887.db2.gz MUETTYKFQLZKIZ-JHJVBQTASA-N 2 0 248.374 1.683 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC2=CC[N@H+](C)CC2)CS1 ZINC000392271922 398316918 /nfs/dbraw/zinc/31/69/18/398316918.db2.gz VDOMDHGBYBTKDO-JQWIXIFHSA-N 2 0 226.389 1.732 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000358146544 398339150 /nfs/dbraw/zinc/33/91/50/398339150.db2.gz DGEAGZFKWBANNC-XDQVBPFNSA-N 2 0 242.407 1.856 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C2CCN(C3CC3)CC2)CO1 ZINC000335424777 398341375 /nfs/dbraw/zinc/34/13/75/398341375.db2.gz IMZBHIPUXYWQGA-ZYHUDNBSSA-N 2 0 224.348 1.380 20 0 BDADRP CCC[C@H]([NH3+])C(=O)NCCC[NH+]1CCCCC1 ZINC000036873142 342992612 /nfs/dbraw/zinc/99/26/12/342992612.db2.gz UEAMELYAYOWFFO-LBPRGKRZSA-N 2 0 241.379 1.106 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@@H]2CCOC2)CC1 ZINC000037996234 343042579 /nfs/dbraw/zinc/04/25/79/343042579.db2.gz HTMNDPPWLPTVRD-NSHDSACASA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC[C@@H]1CCOC1 ZINC000235291366 259343295 /nfs/dbraw/zinc/34/32/95/259343295.db2.gz DLPNGUFMUNWONJ-IJLUTSLNSA-N 2 0 212.337 1.225 20 0 BDADRP C[C@H]1C[C@@H](C[NH2+]Cc2ccc(C[NH3+])cc2)CC[NH2+]1 ZINC000576875326 365710388 /nfs/dbraw/zinc/71/03/88/365710388.db2.gz IRBKHWXJFQXZJS-WFASDCNBSA-N 3 0 247.386 1.623 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCc2ccc(O)cc2)C1 ZINC000093215384 343150941 /nfs/dbraw/zinc/15/09/41/343150941.db2.gz ZRWOGAVGFSURHG-OLZOCXBDSA-N 2 0 234.343 1.794 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)OCO3)C1 ZINC000093210135 343151051 /nfs/dbraw/zinc/15/10/51/343151051.db2.gz FHDAUBWPGKKCAA-RYUDHWBXSA-N 2 0 248.326 1.775 20 0 BDADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(C(N)=O)cc1 ZINC000124526431 343162559 /nfs/dbraw/zinc/16/25/59/343162559.db2.gz WXYQMFJHQZTXEE-GWCFXTLKSA-N 2 0 247.342 1.097 20 0 BDADRP CC1CCC([NH2+]C[C@@](C)(O)C[NH+](C)C)CC1 ZINC000125912416 343167909 /nfs/dbraw/zinc/16/79/09/343167909.db2.gz VMQIIZJUJLDYGI-WXRRBKDZSA-N 2 0 228.380 1.467 20 0 BDADRP CCn1ccnc1CN1C[C@H](C[NH3+])C[C@@H]1C ZINC000126993607 343172072 /nfs/dbraw/zinc/17/20/72/343172072.db2.gz HBDJDOBDCROYOG-QWRGUYRKSA-N 2 0 222.336 1.072 20 0 BDADRP Cc1ncsc1CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000082776944 136277101 /nfs/dbraw/zinc/27/71/01/136277101.db2.gz ZUUGBSWRCNUKOP-PHIMTYICSA-N 2 0 237.372 1.145 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CCN1Cc1cccc(O)c1 ZINC000168849589 343210565 /nfs/dbraw/zinc/21/05/65/343210565.db2.gz MODTZMYBIHXRTG-PWSUYJOCSA-N 2 0 220.316 1.704 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH+]2CCC(C)([NH3+])CC2)O1 ZINC000634688438 343246938 /nfs/dbraw/zinc/24/69/38/343246938.db2.gz SLSVYOAAKRQXDR-MNOVXSKESA-N 2 0 212.337 1.367 20 0 BDADRP C[C@H]([NH3+])CN1CC[C@@H](C[NH3+])c2ccccc21 ZINC000634690838 343279635 /nfs/dbraw/zinc/27/96/35/343279635.db2.gz URFDHWBHNIRTHW-QWRGUYRKSA-N 2 0 219.332 1.286 20 0 BDADRP Cc1nccn1CCC[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000348757895 136297393 /nfs/dbraw/zinc/29/73/93/136297393.db2.gz YZSWXPLHWHAWAU-CYBMUJFWSA-N 2 0 236.363 1.252 20 0 BDADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@H](C)[NH3+])c1 ZINC000037042945 343331808 /nfs/dbraw/zinc/33/18/08/343331808.db2.gz RSIRJDGNSSQXEI-NSHDSACASA-N 2 0 249.358 1.814 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCC[NH+](C)C)CCO1 ZINC000069858504 343293085 /nfs/dbraw/zinc/29/30/85/343293085.db2.gz SGQCFRMVMNUDSC-WDEREUQCSA-N 2 0 200.326 1.095 20 0 BDADRP CC(C)[N@H+](CCOCC[NH3+])Cc1ccccn1 ZINC000310166908 343358166 /nfs/dbraw/zinc/35/81/66/343358166.db2.gz OCIJZNYTHIDWGO-UHFFFAOYSA-N 2 0 237.347 1.267 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1NCC1([NH3+])CCCCC1 ZINC000335625218 136299284 /nfs/dbraw/zinc/29/92/84/136299284.db2.gz OPTPETFISHKSGO-STQMWFEESA-N 2 0 239.407 1.898 20 0 BDADRP c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)nc1 ZINC000335636019 136300563 /nfs/dbraw/zinc/30/05/63/136300563.db2.gz SYTYKEJGYILEHP-KGLIPLIRSA-N 2 0 245.370 1.903 20 0 BDADRP CC[C@H](COC)[NH2+]CCCC[NH+](C)C ZINC000070624352 343336036 /nfs/dbraw/zinc/33/60/36/343336036.db2.gz FERBDISJBUFDTN-LLVKDONJSA-N 2 0 202.342 1.343 20 0 BDADRP Cn1cncc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000335637928 136302807 /nfs/dbraw/zinc/30/28/07/136302807.db2.gz YSSXQUBMHDQEQO-QWHCGFSZSA-N 2 0 248.374 1.242 20 0 BDADRP CC(C)[NH+]1CCC(N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000335643009 136309052 /nfs/dbraw/zinc/30/90/52/136309052.db2.gz LPDYTANETDUMAC-CQSZACIVSA-N 2 0 239.407 1.591 20 0 BDADRP c1cc(CN[C@@H]2CCCC[NH2+]C2)ccn1 ZINC000335642453 136309067 /nfs/dbraw/zinc/30/90/67/136309067.db2.gz KYKISJDWBQKHKR-GFCCVEGCSA-N 2 0 205.305 1.313 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccccc2F)C1 ZINC000166229982 136314939 /nfs/dbraw/zinc/31/49/39/136314939.db2.gz AXZIYVHNZSKATD-GHMZBOCLSA-N 2 0 222.307 1.995 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccccc2F)C1 ZINC000166230205 136315264 /nfs/dbraw/zinc/31/52/64/136315264.db2.gz AXZIYVHNZSKATD-MNOVXSKESA-N 2 0 222.307 1.995 20 0 BDADRP Cc1nc(CN2CC[C@@H]([C@@H](C)[NH3+])C2)oc1C ZINC000166231437 136315355 /nfs/dbraw/zinc/31/53/55/136315355.db2.gz WIKVCIYBWSQCHA-LDYMZIIASA-N 2 0 223.320 1.461 20 0 BDADRP Cc1cnc(CN(C)CCCn2ccnc2)n1C ZINC000349407558 136344671 /nfs/dbraw/zinc/34/46/71/136344671.db2.gz OEJZCBSVNVAVIL-UHFFFAOYSA-N 2 0 247.346 1.447 20 0 BDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)[NH3+] ZINC000166370209 136352319 /nfs/dbraw/zinc/35/23/19/136352319.db2.gz MEUXJKOCCJVNPM-NEPJUHHUSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cncn1C ZINC000335704744 136335098 /nfs/dbraw/zinc/33/50/98/136335098.db2.gz KLXUPCBNEQYNAT-QWHCGFSZSA-N 2 0 248.374 1.479 20 0 BDADRP Cc1c[nH+]ccc1N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000335714710 136338904 /nfs/dbraw/zinc/33/89/04/136338904.db2.gz KAOGEHBDOFFULL-AWEZNQCLSA-N 2 0 231.343 1.922 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@@H]1CCCOC1 ZINC000082581165 343452365 /nfs/dbraw/zinc/45/23/65/343452365.db2.gz IMPJDIWTPVARNV-NEPJUHHUSA-N 2 0 214.353 1.343 20 0 BDADRP CO[C@H](C)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000167126027 136368416 /nfs/dbraw/zinc/36/84/16/136368416.db2.gz SIUSUDKEISOSDJ-GRYCIOLGSA-N 2 0 212.337 1.238 20 0 BDADRP CCc1noc(C)c1CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000335907071 136371202 /nfs/dbraw/zinc/37/12/02/136371202.db2.gz JCARGDZHIQMGKI-FZMZJTMJSA-N 2 0 249.358 1.729 20 0 BDADRP Cc1cc(C[NH2+]C2CC[NH2+]CC2)ccc1F ZINC000084497021 343532511 /nfs/dbraw/zinc/53/25/11/343532511.db2.gz IPAMLSFRVHZDAM-UHFFFAOYSA-N 2 0 222.307 1.976 20 0 BDADRP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000518770279 259365963 /nfs/dbraw/zinc/36/59/63/259365963.db2.gz OZUDMPIOVUDNLB-WFASDCNBSA-N 3 0 247.386 1.766 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc[nH]c2=O)[C@@H](C)C1 ZINC000624257618 343620150 /nfs/dbraw/zinc/62/01/50/343620150.db2.gz KMIKIVDLTZEVCS-AAEUAGOBSA-N 2 0 249.358 1.607 20 0 BDADRP CCC[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)OC ZINC000382837310 343654865 /nfs/dbraw/zinc/65/48/65/343654865.db2.gz PYUYXZDUCSAYOS-YNEHKIRRSA-N 2 0 228.380 1.731 20 0 BDADRP COCC[C@@H](C)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429538481 537805369 /nfs/dbraw/zinc/80/53/69/537805369.db2.gz SVVJTLMQVXFJPC-CHWSQXEVSA-N 2 0 228.380 1.828 20 0 BDADRP CC[C@@H](C)C[C@H](CC)[NH2+]CCN1CC[C@H](O)C1 ZINC000624333003 343716296 /nfs/dbraw/zinc/71/62/96/343716296.db2.gz FWLKFINDRJFUNG-RDBSUJKOSA-N 2 0 242.407 1.857 20 0 BDADRP CC[N@H+](CC[C@@H]1CCC[NH+]1C)C[C@@H]1CCCO1 ZINC000179247722 346978206 /nfs/dbraw/zinc/97/82/06/346978206.db2.gz HTLFEPKSNCURGM-KBPBESRZSA-N 2 0 240.391 1.972 20 0 BDADRP CC(C)[NH2+]C1(CO)CC[NH+](C[C@H]2C[C@@H]2C)CC1 ZINC000625454029 343861143 /nfs/dbraw/zinc/86/11/43/343861143.db2.gz ZWOXEXSLHLKFGE-QWHCGFSZSA-N 2 0 240.391 1.467 20 0 BDADRP Cc1ncc(C[NH2+][C@@H]2CSC2(C)C)n1C ZINC000570583158 323064046 /nfs/dbraw/zinc/06/40/46/323064046.db2.gz WQGJRZYNPJLZAY-SNVBAGLBSA-N 2 0 225.361 1.712 20 0 BDADRP CC[NH2+]Cc1ccccc1NC(=O)[C@H]([NH3+])CC ZINC000129073335 343962004 /nfs/dbraw/zinc/96/20/04/343962004.db2.gz SXAGBGLHGJYPPC-LLVKDONJSA-N 2 0 235.331 1.472 20 0 BDADRP CC(C)[C@H](C[NH3+])C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733533 344113140 /nfs/dbraw/zinc/11/31/40/344113140.db2.gz HMUPIXVRVMAEJG-OLZOCXBDSA-N 3 0 241.423 1.585 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H](NC2CC[NH2+]CC2)C1 ZINC000634733773 344113841 /nfs/dbraw/zinc/11/38/41/344113841.db2.gz NMMCSQWLUKYSCJ-GFCCVEGCSA-N 2 0 225.380 1.106 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCOC2(C)C)CC1 ZINC000328244286 344141969 /nfs/dbraw/zinc/14/19/69/344141969.db2.gz MALDIYKXTZIQOR-CYBMUJFWSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)nc(C)n2C ZINC000130569524 344149244 /nfs/dbraw/zinc/14/92/44/344149244.db2.gz CKRMTTWYCXHUQR-SNVBAGLBSA-N 2 0 246.314 1.558 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CC2(O)CCCCC2)C1 ZINC000086404627 344216906 /nfs/dbraw/zinc/21/69/06/344216906.db2.gz NDJDUBADYXGHIA-NWDGAFQWSA-N 2 0 226.364 1.541 20 0 BDADRP Cc1ncc([C@@H](C)[NH2+]CC[C@H](C)[NH3+])s1 ZINC000622045104 344229930 /nfs/dbraw/zinc/22/99/30/344229930.db2.gz AEYYCIJKPJOLNG-JGVFFNPUSA-N 2 0 213.350 1.839 20 0 BDADRP C[N@H+](CCC[NH3+])Cc1ccc2c(c1)CCO2 ZINC000084493376 344193542 /nfs/dbraw/zinc/19/35/42/344193542.db2.gz NFAONKMQOJOLDM-UHFFFAOYSA-N 2 0 220.316 1.402 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)CCCC[NH3+])C1 ZINC000634762008 344255370 /nfs/dbraw/zinc/25/53/70/344255370.db2.gz NOMLUYOMXPTSIB-LLVKDONJSA-N 2 0 241.379 1.010 20 0 BDADRP Cc1n[nH]cc1CCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000093215729 344312459 /nfs/dbraw/zinc/31/24/59/344312459.db2.gz PMHQSYSVHCCGRZ-OLZOCXBDSA-N 2 0 236.363 1.510 20 0 BDADRP C[C@H](C[NH+]1CCCCC1)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000093214330 344312789 /nfs/dbraw/zinc/31/27/89/344312789.db2.gz QFJPMOUPCFTOPQ-HZSPNIEDSA-N 2 0 239.407 1.720 20 0 BDADRP CSC[C@H]1CCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000400115945 344320702 /nfs/dbraw/zinc/32/07/02/344320702.db2.gz JOSINHBWJIQZGV-VXGBXAGGSA-N 2 0 228.405 1.813 20 0 BDADRP COC(=O)CCCC[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000600711823 344361830 /nfs/dbraw/zinc/36/18/30/344361830.db2.gz SQHRRBBENYDYAW-LBPRGKRZSA-N 2 0 228.336 1.000 20 0 BDADRP C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)C1CC[NH+](C)CC1 ZINC000385292513 344388662 /nfs/dbraw/zinc/38/86/62/344388662.db2.gz ZXAUDAMKNHFWES-CZXHOFHRSA-N 2 0 240.391 1.872 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H](C)CCC[NH3+])CC1 ZINC000380974183 344462561 /nfs/dbraw/zinc/46/25/61/344462561.db2.gz GKPWTCDIYBHUNF-GFCCVEGCSA-N 3 0 227.396 1.435 20 0 BDADRP CCc1noc([C@@H](C)N2CCC[C@H](C[NH3+])C2)n1 ZINC000570843598 323072271 /nfs/dbraw/zinc/07/22/71/323072271.db2.gz LFKGCKBPBVMYEV-NXEZZACHSA-N 2 0 238.335 1.364 20 0 BDADRP C[N@H+](CCC[NH3+])CCOc1ccccc1 ZINC000044421431 344540731 /nfs/dbraw/zinc/54/07/31/344540731.db2.gz UBMSNAGPGNISAF-UHFFFAOYSA-N 2 0 208.305 1.346 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000037621324 344553286 /nfs/dbraw/zinc/55/32/86/344553286.db2.gz OJJHAFAFIFAIBO-AAEUAGOBSA-N 2 0 241.379 1.104 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)NCC(C)(C)C[NH+](C)C ZINC000037621156 344553332 /nfs/dbraw/zinc/55/33/32/344553332.db2.gz PLYKVONIPKOUGF-ZDUSSCGKSA-N 2 0 243.395 1.208 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@H](C)CCOC ZINC000045017822 344554634 /nfs/dbraw/zinc/55/46/34/344554634.db2.gz HHEGTLFBCBFWBF-LBPRGKRZSA-N 2 0 216.369 1.733 20 0 BDADRP Cc1ccc(C[N@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000037632025 344555692 /nfs/dbraw/zinc/55/56/92/344555692.db2.gz SOLOXYWSWPGIDM-UHFFFAOYSA-N 2 0 247.386 1.332 20 0 BDADRP COc1ccc(C[NH+]2CCC(C[NH3+])CC2)cn1 ZINC000158315788 344594075 /nfs/dbraw/zinc/59/40/75/344594075.db2.gz BNCUPVWQJGAENY-UHFFFAOYSA-N 2 0 235.331 1.261 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@H]1C[N@H+](C)C[C@@H]1C ZINC000336778927 537851979 /nfs/dbraw/zinc/85/19/79/537851979.db2.gz MSBGPXVBTLHSSC-AVGNSLFASA-N 2 0 227.396 1.256 20 0 BDADRP Cc1csc(CNC[C@H]2CCC[NH2+]C2)n1 ZINC000049539097 344652071 /nfs/dbraw/zinc/65/20/71/344652071.db2.gz YFBDOVSFYXTRFI-JTQLQIEISA-N 2 0 225.361 1.541 20 0 BDADRP Cc1nc(CNC[C@H]2CCC[NH2+]C2)cs1 ZINC000049539017 344652087 /nfs/dbraw/zinc/65/20/87/344652087.db2.gz HKSCVSXPDZUAHK-JTQLQIEISA-N 2 0 225.361 1.541 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@H]2CCCC[C@H]2C[NH3+])CCO1 ZINC000388726920 347067612 /nfs/dbraw/zinc/06/76/12/347067612.db2.gz OHTGEHGETCIJNB-MQYQWHSLSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@H]1C[C@H]1C[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000583357552 344763125 /nfs/dbraw/zinc/76/31/25/344763125.db2.gz YSJSPQNRRKPCJB-KBPBESRZSA-N 2 0 239.407 1.260 20 0 BDADRP CC(C)C[C@@H]1C[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000385480046 344832928 /nfs/dbraw/zinc/83/29/28/344832928.db2.gz NTTHZGKGGVQEEL-MGPQQGTHSA-N 2 0 240.391 1.467 20 0 BDADRP C[N@@H+]1CCC[C@H]1CN[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000166317506 344854004 /nfs/dbraw/zinc/85/40/04/344854004.db2.gz WMABSQNIQCQQLA-MCIONIFRSA-N 2 0 237.391 1.297 20 0 BDADRP Cc1cc(F)ccc1C[NH2+]CCCC[NH3+] ZINC000050576584 344882934 /nfs/dbraw/zinc/88/29/34/344882934.db2.gz VJIQAVLZMVFJFR-UHFFFAOYSA-N 2 0 210.296 1.963 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC(C)(C)CCO)CN1C1CC1 ZINC000224392925 344910143 /nfs/dbraw/zinc/91/01/43/344910143.db2.gz OVUMHTNGAJGOPL-RYUDHWBXSA-N 2 0 240.391 1.610 20 0 BDADRP CN1CCC[C@@H]1C[NH2+][C@@H]1CCSC1 ZINC000154522262 345040771 /nfs/dbraw/zinc/04/07/71/345040771.db2.gz JKGKYTJCDPATJK-NXEZZACHSA-N 2 0 200.351 1.176 20 0 BDADRP CC[C@H](C)[C@H](C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000154908949 345056788 /nfs/dbraw/zinc/05/67/88/345056788.db2.gz UBYXUGSHJIUPNN-IHRRRGAJSA-N 2 0 241.423 1.647 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1ccccc1O ZINC000154954669 345060746 /nfs/dbraw/zinc/06/07/46/345060746.db2.gz KLMXMCYBADNWOO-JSGCOSHPSA-N 2 0 248.370 1.865 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@H]1CC[NH+](C)C[C@@H]1C ZINC000359594411 345090702 /nfs/dbraw/zinc/09/07/02/345090702.db2.gz UAIXQRHKPYCGPB-MJBXVCDLSA-N 2 0 239.407 1.401 20 0 BDADRP CC(C)C[C@H](CO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156058905 345122759 /nfs/dbraw/zinc/12/27/59/345122759.db2.gz QNPCSHOMKHONFJ-MGPQQGTHSA-N 2 0 240.391 1.610 20 0 BDADRP C[NH2+]C[C@@H]1CCCN(C[C@@H](C[NH3+])C(C)C)C1 ZINC000634991046 345174201 /nfs/dbraw/zinc/17/42/01/345174201.db2.gz NXWSPEQWVHFPEK-QWHCGFSZSA-N 2 0 227.396 1.149 20 0 BDADRP CC(C)[C@H]([NH3+])CCN(C)C[C@@H](C[NH3+])C(C)C ZINC000634991435 345177603 /nfs/dbraw/zinc/17/76/03/345177603.db2.gz DNKAROXGKHIJLC-CHWSQXEVSA-N 2 0 229.412 1.523 20 0 BDADRP CC(C)[C@@H](C[NH3+])CN(C)CC(C)(C)C[NH3+] ZINC000634991886 345179016 /nfs/dbraw/zinc/17/90/16/345179016.db2.gz VJWQTRHNLKNZCE-NSHDSACASA-N 2 0 215.385 1.134 20 0 BDADRP CN(C[C@@H]1CCC[N@H+](C)C1)CC12CC(C1)C[NH2+]2 ZINC000634992126 345179894 /nfs/dbraw/zinc/17/98/94/345179894.db2.gz FELIANYGQOWJCX-IYXRBSQSSA-N 2 0 237.391 1.012 20 0 BDADRP CC(C)[C@@H](C[NH3+])CNC[C@]1(C)CCC[NH2+]C1 ZINC000634995626 345185061 /nfs/dbraw/zinc/18/50/61/345185061.db2.gz KWKBMERRGNDNBM-QWHCGFSZSA-N 2 0 227.396 1.197 20 0 BDADRP CN(CC[NH+]1CCCCC1)CC12CC(C1)C[NH2+]2 ZINC000634996927 345186393 /nfs/dbraw/zinc/18/63/93/345186393.db2.gz YZEZJPAWFGTWJW-UHFFFAOYSA-N 2 0 237.391 1.156 20 0 BDADRP C[C@@H]1C[C@@H](C)N(CC23CC(C2)C[NH2+]3)C[C@H]1C[NH3+] ZINC000634996914 345186924 /nfs/dbraw/zinc/18/69/24/345186924.db2.gz YVIZSUAACNTLDI-LRUBOHGLSA-N 2 0 237.391 1.044 20 0 BDADRP C[C@@H]1CCCN(CC23CC(C2)C[NH2+]3)[C@@H]1CC[NH3+] ZINC000634996256 345187686 /nfs/dbraw/zinc/18/76/86/345187686.db2.gz DUTVPSJQPFIFNA-NELGMTEASA-N 2 0 237.391 1.188 20 0 BDADRP COc1cccc(CN[C@@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000156269182 345143539 /nfs/dbraw/zinc/14/35/39/345143539.db2.gz IZWDYNJJDSKHRB-VXGBXAGGSA-N 2 0 249.358 1.663 20 0 BDADRP CC(C)[C@@H](C[NH3+])CN1CCC(C)([NH3+])CC1 ZINC000634993830 345192208 /nfs/dbraw/zinc/19/22/08/345192208.db2.gz HOWVKJWYCFYFJQ-NSHDSACASA-N 2 0 213.369 1.031 20 0 BDADRP CC(C)[C@H](C[NH3+])CN1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000634997668 345193308 /nfs/dbraw/zinc/19/33/08/345193308.db2.gz QEWXQWOXVFHYQF-FRRDWIJNSA-N 3 0 225.380 1.031 20 0 BDADRP COCC(C)(C)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634999390 345199357 /nfs/dbraw/zinc/19/93/57/345199357.db2.gz UBAFIQWGPWAOTP-GHMZBOCLSA-N 2 0 214.353 1.186 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CC[NH2+]C2)[C@H](C)O1 ZINC000635001714 345201920 /nfs/dbraw/zinc/20/19/20/345201920.db2.gz ZBLWCPGKDKVUOH-NOOOWODRSA-N 2 0 212.337 1.142 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000635001246 345202991 /nfs/dbraw/zinc/20/29/91/345202991.db2.gz LPKMFEICUAIOIH-NOOOWODRSA-N 2 0 214.353 1.515 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@H]2CCCn3nccc32)CC[NH2+]1 ZINC000635002009 345203312 /nfs/dbraw/zinc/20/33/12/345203312.db2.gz KQYOWRXXKAQITG-UPJWGTAASA-N 2 0 248.374 1.696 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CC(C)(C)F ZINC000635003244 345205888 /nfs/dbraw/zinc/20/58/88/345205888.db2.gz HMDSCFCWWOKPCP-SECBINFHSA-N 2 0 206.305 1.078 20 0 BDADRP C[C@H](N[C@H]1CC[NH2+]CC(C)(C)C1)[C@@H]1CCC[NH2+]1 ZINC000635003622 345206151 /nfs/dbraw/zinc/20/61/51/345206151.db2.gz AMFWASZVKJKUDU-AVGNSLFASA-N 2 0 239.407 1.495 20 0 BDADRP CC(C)(F)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000635003954 345207017 /nfs/dbraw/zinc/20/70/17/345207017.db2.gz MQLFONHUHHVYNO-GARJFASQSA-N 2 0 214.328 1.712 20 0 BDADRP CC(C)(F)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000635003801 345207039 /nfs/dbraw/zinc/20/70/39/345207039.db2.gz LTDHCCAOZIXOKF-NXEZZACHSA-N 2 0 202.317 1.842 20 0 BDADRP CC(C)(F)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000635003958 345207201 /nfs/dbraw/zinc/20/72/01/345207201.db2.gz MQLFONHUHHVYNO-HBNTYKKESA-N 2 0 214.328 1.712 20 0 BDADRP CCC[C@@H](CCO)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000635005295 345209298 /nfs/dbraw/zinc/20/92/98/345209298.db2.gz UEUTUHJWMOBVIX-SDDRHHMPSA-N 2 0 214.353 1.268 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC(C)(C)F ZINC000635005570 345209810 /nfs/dbraw/zinc/20/98/10/345209810.db2.gz VDHXWKFOCROORL-LPEHRKFASA-N 2 0 218.316 1.076 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)[C@H]1CCCO1 ZINC000635006852 345211547 /nfs/dbraw/zinc/21/15/47/345211547.db2.gz TYBPFAUJULIPDM-ZDEQEGDKSA-N 2 0 226.364 1.661 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000635009767 345211903 /nfs/dbraw/zinc/21/19/03/345211903.db2.gz ZIIBUGMLFQVTDU-FRRDWIJNSA-N 3 0 239.407 1.482 20 0 BDADRP C[C@@H]1OCC[C@H]1[NH2+]CC[C@@H]([NH3+])Cc1ccccc1 ZINC000635010420 345212761 /nfs/dbraw/zinc/21/27/61/345212761.db2.gz ZXIGGBAUOITVPX-NWANDNLSSA-N 2 0 248.370 1.714 20 0 BDADRP C[C@@H]([NH2+]Cc1cccc2[nH]ccc21)C1C[NH2+]C1 ZINC000635011832 345213741 /nfs/dbraw/zinc/21/37/41/345213741.db2.gz IAGHVDQWORPEMI-SNVBAGLBSA-N 2 0 229.327 1.865 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCCn2nccc21 ZINC000635012795 345214949 /nfs/dbraw/zinc/21/49/49/345214949.db2.gz PBAKEESSYSVRGL-NWDGAFQWSA-N 2 0 236.363 1.825 20 0 BDADRP CC[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CCOC1 ZINC000635008238 345216252 /nfs/dbraw/zinc/21/62/52/345216252.db2.gz SMURALCTTRUBMP-SYQHCUMBSA-N 2 0 240.391 1.909 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)C1 ZINC000635013093 345217494 /nfs/dbraw/zinc/21/74/94/345217494.db2.gz QNSQKYPMLTXMOQ-BZNPZCIMSA-N 2 0 222.254 1.797 20 0 BDADRP COc1ccccc1[C@@H]1CC[N@H+](CCC[NH3+])C1 ZINC000080581983 345311325 /nfs/dbraw/zinc/31/13/25/345311325.db2.gz WYVDWJWJSZZPOI-GFCCVEGCSA-N 2 0 234.343 1.833 20 0 BDADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCCF)CC[C@@H]21 ZINC000158481517 345338640 /nfs/dbraw/zinc/33/86/40/345338640.db2.gz HEOIZCGOJGKGKD-NEPJUHHUSA-N 2 0 214.328 1.762 20 0 BDADRP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)[C@@H]1CCOC1 ZINC000158627370 345357485 /nfs/dbraw/zinc/35/74/85/345357485.db2.gz AZGQLMGDBVJVFD-VXGBXAGGSA-N 2 0 226.364 1.663 20 0 BDADRP CC[C@@H]1CCCCC[N@@H+]1CCOCC[NH3+] ZINC000134366649 345410936 /nfs/dbraw/zinc/41/09/36/345410936.db2.gz PLSITGOZTNUQRT-GFCCVEGCSA-N 2 0 214.353 1.616 20 0 BDADRP C[NH+]1CCN(CCC[NH2+]CC2(C)CCC2)CC1 ZINC000434762461 537898989 /nfs/dbraw/zinc/89/89/89/537898989.db2.gz BXXYYINCXFILDD-UHFFFAOYSA-N 2 0 239.407 1.404 20 0 BDADRP COC(=O)c1cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c[nH]1 ZINC000563135316 323094592 /nfs/dbraw/zinc/09/45/92/323094592.db2.gz JTYQAUFGNSLPIR-BDAKNGLRSA-N 2 0 239.319 1.017 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC[C@H]1CCOC1 ZINC000563135045 323094594 /nfs/dbraw/zinc/09/45/94/323094594.db2.gz DECLVUKOMZXHLD-AXFHLTTASA-N 2 0 200.326 1.128 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccncc2N)CN1C1CC1 ZINC000641732775 362652048 /nfs/dbraw/zinc/65/20/48/362652048.db2.gz BPGAMQFJSPOOKD-ZYHUDNBSSA-N 2 0 246.358 1.379 20 0 BDADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2ccncc2)C1 ZINC000221395598 345747652 /nfs/dbraw/zinc/74/76/52/345747652.db2.gz INIAXXHPZFQVQB-OLZOCXBDSA-N 2 0 219.332 1.689 20 0 BDADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccccc1 ZINC000144516067 345708605 /nfs/dbraw/zinc/70/86/05/345708605.db2.gz UUMLERGAZUBKSI-ZDUSSCGKSA-N 2 0 248.370 1.794 20 0 BDADRP COCCCCN1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000070585934 345788503 /nfs/dbraw/zinc/78/85/03/345788503.db2.gz FUVMILMDLQDYEY-CYBMUJFWSA-N 2 0 228.380 1.875 20 0 BDADRP CSC1(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000307605386 345845485 /nfs/dbraw/zinc/84/54/85/345845485.db2.gz YIEHJLMKKVJUCJ-NXEZZACHSA-N 2 0 212.362 1.033 20 0 BDADRP C([NH2+][C@@H]1CCCOC1)C1CC[NH+](C2CC2)CC1 ZINC000446889769 537933793 /nfs/dbraw/zinc/93/37/93/537933793.db2.gz CEYIESOFBUUTOK-CYBMUJFWSA-N 2 0 238.375 1.629 20 0 BDADRP COCC[C@@H](C)[NH+]1CCC([NH+](C)C)CC1 ZINC000447415350 537952283 /nfs/dbraw/zinc/95/22/83/537952283.db2.gz WZSCKTGUBSCESE-LLVKDONJSA-N 2 0 214.353 1.437 20 0 BDADRP CC[C@H](CSC)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000217329941 346299290 /nfs/dbraw/zinc/29/92/90/346299290.db2.gz AJFOZZQEOBQULH-NEPJUHHUSA-N 2 0 246.420 1.174 20 0 BDADRP CSCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401144035 346312817 /nfs/dbraw/zinc/31/28/17/346312817.db2.gz NMICTUALLMBEPD-IJLUTSLNSA-N 2 0 228.405 1.717 20 0 BDADRP CC[NH+](CC)CC[C@@H](CO)[NH2+]CC1(C)CC1 ZINC000641771019 362708444 /nfs/dbraw/zinc/70/84/44/362708444.db2.gz BKLUKFZAZHXHFU-LBPRGKRZSA-N 2 0 228.380 1.469 20 0 BDADRP C[N@@H+]1CCCC[C@H](CNCc2ccncc2N)C1 ZINC000641773638 362713149 /nfs/dbraw/zinc/71/31/49/362713149.db2.gz JQCLABHQMWNVEM-GFCCVEGCSA-N 2 0 248.374 1.485 20 0 BDADRP C[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)[N@H+](C)C1CC1 ZINC000300369673 346433618 /nfs/dbraw/zinc/43/36/18/346433618.db2.gz ZRUHHLMXGSBVML-WOPDTQHZSA-N 2 0 225.380 1.329 20 0 BDADRP C[C@@H]1CC2(C[N@@H+]1CCc1cn[nH]c1)CC[NH2+]CC2 ZINC000641799741 362749932 /nfs/dbraw/zinc/74/99/32/362749932.db2.gz QRTOODRSKRTBKL-GFCCVEGCSA-N 2 0 248.374 1.416 20 0 BDADRP Cc1noc(CCC[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)n1 ZINC000641800244 362749942 /nfs/dbraw/zinc/74/99/42/362749942.db2.gz AEUAEVUVXUXKEB-ZJUUUORDSA-N 2 0 238.335 1.026 20 0 BDADRP CC[C@H](O)[C@H](CC)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000577094465 365813848 /nfs/dbraw/zinc/81/38/48/365813848.db2.gz GJXWKXCYCLXKDQ-RNJOBUHISA-N 2 0 228.380 1.514 20 0 BDADRP C[C@@H]1CC[C@H](CN)[N@H+](CC[C@H]2CC[NH2+]C2)[C@H]1C ZINC000641804065 362761415 /nfs/dbraw/zinc/76/14/15/362761415.db2.gz AJMNCJYMPIUZOI-XJFOESAGSA-N 2 0 239.407 1.434 20 0 BDADRP Cc1ccc(CC[NH2+][C@@H](C)C[C@@H](C)[NH3+])o1 ZINC000580708735 346504679 /nfs/dbraw/zinc/50/46/79/346504679.db2.gz QGQGJEGRVHWKBG-ZJUUUORDSA-N 2 0 210.321 1.846 20 0 BDADRP Cc1ccc(CC[NH2+][C@H](C)C[C@H](C)[NH3+])o1 ZINC000580708734 346504734 /nfs/dbraw/zinc/50/47/34/346504734.db2.gz QGQGJEGRVHWKBG-VHSXEESVSA-N 2 0 210.321 1.846 20 0 BDADRP Cn1cncc1CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000641800707 362751936 /nfs/dbraw/zinc/75/19/36/362751936.db2.gz DFFBAXNFRPRBET-JSGCOSHPSA-N 3 0 248.374 1.037 20 0 BDADRP Cc1cncc(C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)c1 ZINC000641800960 362752945 /nfs/dbraw/zinc/75/29/45/362752945.db2.gz JUFURIHPPMWOBM-NEPJUHHUSA-N 2 0 219.332 1.605 20 0 BDADRP Cc1cc(C)n(CC[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)n1 ZINC000641800803 362753021 /nfs/dbraw/zinc/75/30/21/362753021.db2.gz GFPMJTOBFQAHOM-NWDGAFQWSA-N 2 0 236.363 1.215 20 0 BDADRP Cn1cncc1CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000641800709 362753260 /nfs/dbraw/zinc/75/32/60/362753260.db2.gz DFFBAXNFRPRBET-TZMCWYRMSA-N 2 0 248.374 1.037 20 0 BDADRP C[C@H]1CCC(C)(C)[N@@H+]1CCOCC[NH3+] ZINC000641800950 362753393 /nfs/dbraw/zinc/75/33/93/362753393.db2.gz JSRXVSKVMLTLPP-JTQLQIEISA-N 2 0 200.326 1.225 20 0 BDADRP CSC1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000300856647 346519934 /nfs/dbraw/zinc/51/99/34/346519934.db2.gz ONZGQUIMGPBDLK-NSHDSACASA-N 2 0 228.405 1.813 20 0 BDADRP C[NH2+]CCCN1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000641809819 362766043 /nfs/dbraw/zinc/76/60/43/362766043.db2.gz SEKJFCIBEFHBRL-TUAOUCFPSA-N 2 0 213.369 1.044 20 0 BDADRP Cn1cncc1CC[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000641818362 362769279 /nfs/dbraw/zinc/76/92/79/362769279.db2.gz CKOLEEWZCKDKSM-JSGCOSHPSA-N 2 0 248.374 1.023 20 0 BDADRP CCC[C@H](CCO)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000300375570 346530878 /nfs/dbraw/zinc/53/08/78/346530878.db2.gz FYMGSDXKUSUHPS-FRRDWIJNSA-N 2 0 228.380 1.645 20 0 BDADRP Cc1nccn1CCN1CCC(=O)CC12CCC2 ZINC000518790770 259392314 /nfs/dbraw/zinc/39/23/14/259392314.db2.gz MRJWYYYEQPGULL-UHFFFAOYSA-N 2 0 247.342 1.779 20 0 BDADRP C[NH2+]C[C@@H](C)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000562979787 346668160 /nfs/dbraw/zinc/66/81/60/346668160.db2.gz PKHVRYQIGYWXHS-SECBINFHSA-N 2 0 233.315 1.084 20 0 BDADRP CC(C)C[C@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000020128397 187370259 /nfs/dbraw/zinc/37/02/59/187370259.db2.gz DGRVEHOFFSHQIQ-AWEZNQCLSA-N 2 0 241.423 1.648 20 0 BDADRP [NH3+][C@]12CCC[C@H]1C[N@H+](CC[C@H]1CCOC1)C2 ZINC000622004326 370655704 /nfs/dbraw/zinc/65/57/04/370655704.db2.gz NKUHWALLMLFBER-AVGNSLFASA-N 2 0 224.348 1.226 20 0 BDADRP C[N@@H+]1CCC[C@H](N[C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000250603037 537986764 /nfs/dbraw/zinc/98/67/64/537986764.db2.gz KOMYMQCDAUTKKJ-IHRRRGAJSA-N 2 0 237.391 1.297 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]C2CCOCC2)[C@@H]2CCC[C@H]21 ZINC000353440525 187372736 /nfs/dbraw/zinc/37/27/36/187372736.db2.gz KTYIPZNJUDBOOZ-MELADBBJSA-N 2 0 238.375 1.628 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353533241 187373162 /nfs/dbraw/zinc/37/31/62/187373162.db2.gz XVVNQXDNVQUUJE-RFQIPJPRSA-N 2 0 240.391 1.466 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000250353207 362801111 /nfs/dbraw/zinc/80/11/11/362801111.db2.gz RQPXJFHZZYVFAI-OLZOCXBDSA-N 2 0 240.391 1.875 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CS[C@H](C)C2)C1 ZINC000250389671 362802621 /nfs/dbraw/zinc/80/26/21/362802621.db2.gz XYMOCFXISOBEHS-IJLUTSLNSA-N 2 0 228.405 1.812 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)[C@@H]1CCCOC1 ZINC000388445322 347409094 /nfs/dbraw/zinc/40/90/94/347409094.db2.gz HVNBAXAPSFVLJJ-BFHYXJOUSA-N 2 0 240.391 1.733 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH2+]C1(CC)CCCC1 ZINC000382573170 347364777 /nfs/dbraw/zinc/36/47/77/347364777.db2.gz SQGLUNIRSGNBMI-LBPRGKRZSA-N 2 0 228.380 1.611 20 0 BDADRP CC[NH+]1CCC(NCCC[NH+](C)C)CC1 ZINC000019958197 347381501 /nfs/dbraw/zinc/38/15/01/347381501.db2.gz YJUHHQUILMNPLV-UHFFFAOYSA-N 2 0 213.369 1.012 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCO2)CC1(C)C ZINC000251114439 362838348 /nfs/dbraw/zinc/83/83/48/362838348.db2.gz CWIZESWBRKHWBX-NWDGAFQWSA-N 2 0 226.364 1.628 20 0 BDADRP C[C@@H]1CC[C@H](C[NH+]2CCC(C[NH3+])CC2)O1 ZINC000149749013 347508160 /nfs/dbraw/zinc/50/81/60/347508160.db2.gz KYBUKLZUQGFUCC-ZYHUDNBSSA-N 2 0 212.337 1.225 20 0 BDADRP C[C@@H]1CC[C@H](C[N@H+](C)CC(C)(C)C[NH3+])O1 ZINC000149780591 347518166 /nfs/dbraw/zinc/51/81/66/347518166.db2.gz RDGPMMVRCIHPAD-GHMZBOCLSA-N 2 0 214.353 1.471 20 0 BDADRP CC(C)[N@H+](C)CC1CC[NH+](CCCCO)CC1 ZINC000590819062 347568889 /nfs/dbraw/zinc/56/88/89/347568889.db2.gz XOMLZAVUVHWDTE-UHFFFAOYSA-N 2 0 242.407 1.811 20 0 BDADRP Cc1ccccc1C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000071544571 179272547 /nfs/dbraw/zinc/27/25/47/179272547.db2.gz DCKWTVQEBNYGEL-UHFFFAOYSA-N 2 0 234.343 1.281 20 0 BDADRP CC(C)(O)CC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000360021989 187380016 /nfs/dbraw/zinc/38/00/16/187380016.db2.gz GVJNJERZOCLIMP-UHFFFAOYSA-N 2 0 242.407 2.000 20 0 BDADRP CSC[C@@H](O)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000591739512 347694890 /nfs/dbraw/zinc/69/48/90/347694890.db2.gz ABLYSPHEFSOOSE-JQWIXIFHSA-N 2 0 246.420 1.030 20 0 BDADRP CC(C)C[C@H](CO)[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000360495656 187381036 /nfs/dbraw/zinc/38/10/36/187381036.db2.gz MMJRAWZSWRTWPV-ZIAGYGMSSA-N 2 0 242.407 1.810 20 0 BDADRP C[N@H+](CCC(C)(C)O)C[C@@H]1CCC[NH+](C)C1 ZINC000360436470 187381189 /nfs/dbraw/zinc/38/11/89/187381189.db2.gz IVXUEQNTFZSKPY-GFCCVEGCSA-N 2 0 228.380 1.421 20 0 BDADRP CO[C@H](C)CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000308540004 347822695 /nfs/dbraw/zinc/82/26/95/347822695.db2.gz IHYVBPSDJFAPAW-MXWKQRLJSA-N 2 0 200.326 1.271 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CC2CC[NH2+]CC2)CN1C1CC1 ZINC000577383098 365940465 /nfs/dbraw/zinc/94/04/65/365940465.db2.gz SNNULEPBJWXTPW-WCQYABFASA-N 3 0 237.391 1.201 20 0 BDADRP COC(=O)C(C)(C)CC[NH2+]CC1([NH3+])CCCC1 ZINC000594739262 348110649 /nfs/dbraw/zinc/11/06/49/348110649.db2.gz QYVDMNNEIHDIRN-UHFFFAOYSA-N 2 0 242.363 1.437 20 0 BDADRP CC1(C)C[N@H+](CCC[NH+]2CCCC2)CCCO1 ZINC000372375775 187386632 /nfs/dbraw/zinc/38/66/32/187386632.db2.gz LJPGAIHHIQYHTJ-UHFFFAOYSA-N 2 0 240.391 1.973 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@H]2CC[C@@H](C)O2)C1 ZINC000251616481 362892385 /nfs/dbraw/zinc/89/23/85/362892385.db2.gz DFJDEWLDPOFHRD-FRRDWIJNSA-N 2 0 226.364 1.485 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+]CC2(CCO)CC2)CC1(C)C ZINC000623497700 362921355 /nfs/dbraw/zinc/92/13/55/362921355.db2.gz URXBJOYNPKVAEA-GFCCVEGCSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)[C@@H]1C[C@H]1C1CC1 ZINC000623494316 362917199 /nfs/dbraw/zinc/91/71/99/362917199.db2.gz LYVGPHXBHOZATR-XBFCOCLRSA-N 2 0 240.391 1.589 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+]CCC(C)(C)O)CC1(C)C ZINC000623496379 362920103 /nfs/dbraw/zinc/92/01/03/362920103.db2.gz SPNNRWNLMWSRAO-LLVKDONJSA-N 2 0 228.380 1.610 20 0 BDADRP C[C@H]1CSCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000251710513 362900753 /nfs/dbraw/zinc/90/07/53/362900753.db2.gz JJIOIRDRJFWAGN-WDEREUQCSA-N 2 0 214.378 1.423 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000398566655 323186714 /nfs/dbraw/zinc/18/67/14/323186714.db2.gz DSOIASNLXATGBD-RFQIPJPRSA-N 2 0 242.407 1.856 20 0 BDADRP C[NH2+]CCN(C)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000070304865 349988125 /nfs/dbraw/zinc/98/81/25/349988125.db2.gz AVUCYBRVHIATGR-CYBMUJFWSA-N 2 0 249.358 1.144 20 0 BDADRP COCCCCC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000395097691 323187018 /nfs/dbraw/zinc/18/70/18/323187018.db2.gz DEVKSNYPDQHABM-OLZOCXBDSA-N 2 0 228.380 1.923 20 0 BDADRP CCOCCCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000388379703 349998047 /nfs/dbraw/zinc/99/80/47/349998047.db2.gz KKXHUTYZBHQHRC-VXGBXAGGSA-N 2 0 214.353 1.663 20 0 BDADRP CSCC1(CC[NH2+][C@@H](C)C2C[NH2+]C2)CC1 ZINC000596650227 348605390 /nfs/dbraw/zinc/60/53/90/348605390.db2.gz JWCMFACRSPMHLI-JTQLQIEISA-N 2 0 228.405 1.717 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]CCn2ccnc2)C1 ZINC000069847684 490186675 /nfs/dbraw/zinc/18/66/75/490186675.db2.gz SISMJBOIDABEKN-NWDGAFQWSA-N 2 0 223.320 1.430 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@H]1CCCOC1 ZINC000070011477 490195652 /nfs/dbraw/zinc/19/56/52/490195652.db2.gz YRQJZFGZTVFUGZ-LBPRGKRZSA-N 2 0 214.353 1.487 20 0 BDADRP C[C@@H]1COCC[C@H]1[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623507567 362931075 /nfs/dbraw/zinc/93/10/75/362931075.db2.gz QPTDUJDPJINFLC-FRRDWIJNSA-N 2 0 240.391 1.874 20 0 BDADRP CCC[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)OC ZINC000382189060 348964232 /nfs/dbraw/zinc/96/42/32/348964232.db2.gz BIMBWKNLQDOGOD-IJLUTSLNSA-N 2 0 214.353 1.661 20 0 BDADRP CCC[C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)OC ZINC000382189068 348964245 /nfs/dbraw/zinc/96/42/45/348964245.db2.gz BIMBWKNLQDOGOD-SDDRHHMPSA-N 2 0 214.353 1.661 20 0 BDADRP COC[C@@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000053196055 349057610 /nfs/dbraw/zinc/05/76/10/349057610.db2.gz PZYGYFIUPFYEQG-LLVKDONJSA-N 2 0 228.380 1.874 20 0 BDADRP CC[C@@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000248373572 349126102 /nfs/dbraw/zinc/12/61/02/349126102.db2.gz JUPHVTGDGNHSMW-ZIAGYGMSSA-N 2 0 239.407 1.497 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCCO2)C1 ZINC000250816719 349180457 /nfs/dbraw/zinc/18/04/57/349180457.db2.gz FKBUMPCKCICVAL-GRYCIOLGSA-N 2 0 212.337 1.415 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CCCOC1)[C@@H]1CCCC[NH2+]1 ZINC000530211535 323211405 /nfs/dbraw/zinc/21/14/05/323211405.db2.gz METULNBIFRYAIH-MCIONIFRSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCCOC1)[C@H]1CCCC[NH2+]1 ZINC000530211532 323211725 /nfs/dbraw/zinc/21/17/25/323211725.db2.gz METULNBIFRYAIH-BFHYXJOUSA-N 2 0 240.391 1.923 20 0 BDADRP CC[C@H](O)C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000421848569 192392946 /nfs/dbraw/zinc/39/29/46/192392946.db2.gz ARSGTCSDLFHMGB-AWEZNQCLSA-N 2 0 240.391 1.754 20 0 BDADRP CC[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)CC)CC1 ZINC000383641615 349229893 /nfs/dbraw/zinc/22/98/93/349229893.db2.gz ZXUITKBGTRERJP-ZIAGYGMSSA-N 2 0 242.407 1.811 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CCCOC1)[C@H]1CCC[NH2+]1 ZINC000530214246 323216352 /nfs/dbraw/zinc/21/63/52/323216352.db2.gz VZTFQYPCAKDARV-JHJVBQTASA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)C[C@H](C)O1 ZINC000252212183 349198964 /nfs/dbraw/zinc/19/89/64/349198964.db2.gz YJZMUQGWHUXKBT-CLLJXQQHSA-N 2 0 228.380 1.874 20 0 BDADRP CSC1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000300873058 349396558 /nfs/dbraw/zinc/39/65/58/349396558.db2.gz RAVNTHPIIUUAPO-UHFFFAOYSA-N 2 0 228.405 1.813 20 0 BDADRP CC(C)(CC[NH3+])NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000422543085 192425769 /nfs/dbraw/zinc/42/57/69/192425769.db2.gz RPFNEIVCLBNPPU-QWRGUYRKSA-N 2 0 241.379 1.138 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCOC2)C1 ZINC000070968178 350077344 /nfs/dbraw/zinc/07/73/44/350077344.db2.gz QPSATRDGNGMACF-VXGBXAGGSA-N 2 0 212.337 1.095 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H](O)C1CCCCC1 ZINC000422705766 192435461 /nfs/dbraw/zinc/43/54/61/192435461.db2.gz SDQXETTWEBVJGN-DMDPSCGWSA-N 2 0 228.380 1.643 20 0 BDADRP CC[C@H]([NH2+]CC(C)(C)C[NH+](C)C)[C@H]1CCOC1 ZINC000132161453 191026489 /nfs/dbraw/zinc/02/64/89/191026489.db2.gz VRVFJPNNSJEBIZ-STQMWFEESA-N 2 0 242.407 1.979 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000422718244 192440435 /nfs/dbraw/zinc/44/04/35/192440435.db2.gz WTQQZBGUQIVYMY-SDDRHHMPSA-N 2 0 216.369 1.501 20 0 BDADRP Cc1ccc2nc(C[NH2+][C@H](C)CCC[NH3+])cn2c1 ZINC000422719927 192442719 /nfs/dbraw/zinc/44/27/19/192442719.db2.gz RQKAVJJLUWIZLO-GFCCVEGCSA-N 2 0 246.358 1.860 20 0 BDADRP CCC[NH+]1CCC([NH2+]CC(C)(C)OC)CC1 ZINC000133376934 191039791 /nfs/dbraw/zinc/03/97/91/191039791.db2.gz OUGRYMBBGRXZRW-UHFFFAOYSA-N 2 0 228.380 1.875 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)C2([NH3+])CCCC2)cc1 ZINC000449619165 201987527 /nfs/dbraw/zinc/98/75/27/201987527.db2.gz OEGQOMMONHAIDW-UHFFFAOYSA-N 2 0 247.342 1.616 20 0 BDADRP CC[NH+]1CCC([NH2+]CC(O)(CC)CC)CC1 ZINC000083463503 350215345 /nfs/dbraw/zinc/21/53/45/350215345.db2.gz NUUJZOCZUBIAEZ-UHFFFAOYSA-N 2 0 228.380 1.611 20 0 BDADRP CC(C)(C)[C@H]([NH3+])C(=O)NCC1([NH3+])CCCCC1 ZINC000428496875 191081223 /nfs/dbraw/zinc/08/12/23/191081223.db2.gz QAGCKHGWGVTIOG-SNVBAGLBSA-N 2 0 241.379 1.138 20 0 BDADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC[C@@H]1CCCO1 ZINC000083528255 350237403 /nfs/dbraw/zinc/23/74/03/350237403.db2.gz LUNUTPOMGLQPCF-STQMWFEESA-N 2 0 226.364 1.759 20 0 BDADRP Cc1nccn1CCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357089570 180239165 /nfs/dbraw/zinc/23/91/65/180239165.db2.gz QDYRXJSOPPUTPU-KGLIPLIRSA-N 2 0 248.374 1.123 20 0 BDADRP [NH3+][C@@H]1CCN(Cc2ccc(OC(F)F)cc2)C1 ZINC000050227797 350315178 /nfs/dbraw/zinc/31/51/78/350315178.db2.gz OJQMROCKYVANRS-SNVBAGLBSA-N 2 0 242.269 1.821 20 0 BDADRP Cc1ncn(CCC[NH+]2CCOCC2)c1C ZINC000075741801 180286289 /nfs/dbraw/zinc/28/62/89/180286289.db2.gz HOMJXJYRUSBEGF-UHFFFAOYSA-N 2 0 223.320 1.222 20 0 BDADRP Cc1ncsc1CC[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000050285441 180310093 /nfs/dbraw/zinc/31/00/93/180310093.db2.gz SUGCGKQPQXACSW-JTQLQIEISA-N 2 0 225.361 1.275 20 0 BDADRP C[NH2+]CCC[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000328166086 350377117 /nfs/dbraw/zinc/37/71/17/350377117.db2.gz IXJMVKMMLOXKKG-NWDGAFQWSA-N 2 0 214.353 1.079 20 0 BDADRP C[C@H](CC1CC1)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000069665528 350377185 /nfs/dbraw/zinc/37/71/85/350377185.db2.gz HRRXNKDAHHATNY-DGCLKSJQSA-N 2 0 226.364 1.221 20 0 BDADRP Cc1ncsc1C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000070838247 180320623 /nfs/dbraw/zinc/32/06/23/180320623.db2.gz FXSNPKUXZNYVJC-UHFFFAOYSA-N 2 0 239.388 1.931 20 0 BDADRP Cc1nn(C)c(Cl)c1CN1CC[C@@H](C[NH3+])C1 ZINC000050247610 180350130 /nfs/dbraw/zinc/35/01/30/180350130.db2.gz ZEGFRGMLHNKVJM-VIFPVBQESA-N 2 0 242.754 1.163 20 0 BDADRP Cc1cc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc[nH+]1 ZINC000162799263 350431323 /nfs/dbraw/zinc/43/13/23/350431323.db2.gz MIOCBLFRQGXEHJ-ZIAGYGMSSA-N 2 0 247.342 1.665 20 0 BDADRP C[NH+](C)C1(CN[C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623551744 362971920 /nfs/dbraw/zinc/97/19/20/362971920.db2.gz GBUJXXQAAPISIR-GFCCVEGCSA-N 2 0 239.407 1.543 20 0 BDADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000422794609 192471561 /nfs/dbraw/zinc/47/15/61/192471561.db2.gz ZELZGUFADJCKOS-ZIAGYGMSSA-N 3 0 239.407 1.578 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000250363053 350879743 /nfs/dbraw/zinc/87/97/43/350879743.db2.gz UHNURHIVYYERQM-RWMBFGLXSA-N 2 0 225.380 1.330 20 0 BDADRP CC[NH+]1CCC([NH2+]CC2CCOCC2)CC1 ZINC000052178611 350960281 /nfs/dbraw/zinc/96/02/81/350960281.db2.gz HYRSUJOSHVJDLH-UHFFFAOYSA-N 2 0 226.364 1.487 20 0 BDADRP Cc1ncc(C[NH2+]C2CCC([NH+](C)C)CC2)o1 ZINC000628316051 351046215 /nfs/dbraw/zinc/04/62/15/351046215.db2.gz HKTIAFMNPFSBHA-UHFFFAOYSA-N 2 0 237.347 1.945 20 0 BDADRP CCN1CCC[C@H]1C[NH2+][C@@H](C)CCC[NH3+] ZINC000336714671 351105073 /nfs/dbraw/zinc/10/50/73/351105073.db2.gz WCEHANFGLBSSDC-RYUDHWBXSA-N 2 0 213.369 1.188 20 0 BDADRP Cc1cccnc1CC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000404897708 363071606 /nfs/dbraw/zinc/07/16/06/363071606.db2.gz HMPINXKTNGHOOV-ZFWWWQNUSA-N 2 0 247.386 1.862 20 0 BDADRP CC[NH2+][C@H](C)C(=O)Nc1cccc(C[NH3+])c1 ZINC000637801684 351632568 /nfs/dbraw/zinc/63/25/68/351632568.db2.gz NWBNBHNVPAJUHL-SECBINFHSA-N 2 0 221.304 1.082 20 0 BDADRP CC[NH2+]Cc1cccc(NC(=O)[C@H](C)[NH2+]CC)c1 ZINC000637808963 351645667 /nfs/dbraw/zinc/64/56/67/351645667.db2.gz NOBWYVZNVJXJDL-NSHDSACASA-N 2 0 249.358 1.733 20 0 BDADRP CCC(CC)(C[NH3+])NC(=O)[C@@H]([NH3+])CCC(C)C ZINC000637840615 351695409 /nfs/dbraw/zinc/69/54/09/351695409.db2.gz POGLVSITLSYGCL-NSHDSACASA-N 2 0 243.395 1.384 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000577708957 366041279 /nfs/dbraw/zinc/04/12/79/366041279.db2.gz MDHQSQOJYKCPTA-MJBXVCDLSA-N 3 0 239.407 1.354 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCC(F)(F)[C@H]2O)C1 ZINC000577768955 366059554 /nfs/dbraw/zinc/05/95/54/366059554.db2.gz YIHUKHSDVVNEDN-DBIOUOCHSA-N 2 0 248.317 1.395 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]([NH3+])CCC(C)C ZINC000637867601 351731288 /nfs/dbraw/zinc/73/12/88/351731288.db2.gz VUMAHSJMVMMIGU-RYUDHWBXSA-N 2 0 243.395 1.384 20 0 BDADRP CC[C@H](C(=O)N[C@](C)(C[NH3+])CC(C)C)[NH+](C)C ZINC000637852667 351712573 /nfs/dbraw/zinc/71/25/73/351712573.db2.gz WSGATYSACRHUFF-YPMHNXCESA-N 2 0 243.395 1.206 20 0 BDADRP C[C@@H]([NH2+]Cc1ccncc1)[C@H]1CCC[NH2+]C1 ZINC000414854636 351905016 /nfs/dbraw/zinc/90/50/16/351905016.db2.gz MBOMPZHBURXUPU-YPMHNXCESA-N 2 0 219.332 1.559 20 0 BDADRP CC(C)C1(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000638186443 352050248 /nfs/dbraw/zinc/05/02/48/352050248.db2.gz UBRMQBKQWIFBMN-RYUDHWBXSA-N 2 0 208.349 1.574 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)C2=CC[C@H]([NH3+])C2)cc1 ZINC000638173808 352037958 /nfs/dbraw/zinc/03/79/58/352037958.db2.gz KTGHZHVIZZMFSG-NSHDSACASA-N 2 0 231.299 1.131 20 0 BDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H](C)[NH2+]CC ZINC000638280207 352118147 /nfs/dbraw/zinc/11/81/47/352118147.db2.gz AKGBIQRHQHKFFU-RYUDHWBXSA-N 2 0 243.395 1.221 20 0 BDADRP C[NH+](C)CCC[NH2+]CCC[C@H]1CCO1 ZINC000638291019 352126993 /nfs/dbraw/zinc/12/69/93/352126993.db2.gz YFJXLHSMKRMNCI-NSHDSACASA-N 2 0 200.326 1.097 20 0 BDADRP CCN1CCC[C@@H]1C[NH2+]CCC[C@H]1CCO1 ZINC000638280385 352116214 /nfs/dbraw/zinc/11/62/14/352116214.db2.gz FCQAYJLLNHYZTG-OLZOCXBDSA-N 2 0 226.364 1.629 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)CCC2C[NH2+]C2)c1 ZINC000638365344 352176567 /nfs/dbraw/zinc/17/65/67/352176567.db2.gz ZBPQZHRMBKFWIT-UHFFFAOYSA-N 2 0 247.342 1.392 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](OC)C2CC2)C1 ZINC000638410250 352217381 /nfs/dbraw/zinc/21/73/81/352217381.db2.gz YIISTLAGQIPXGI-TZMCWYRMSA-N 2 0 240.391 1.733 20 0 BDADRP CC[C@@H](C)[C@@H](C[NH2+]CCCC[NH+](C)C)OC ZINC000638451063 352257986 /nfs/dbraw/zinc/25/79/86/352257986.db2.gz JZORWJWDXNILES-CHWSQXEVSA-N 2 0 230.396 1.979 20 0 BDADRP C[NH+](C)CCCC[NH2+]Cc1cccc(F)c1N ZINC000638451775 352261918 /nfs/dbraw/zinc/26/19/18/352261918.db2.gz QLLHFAUNGYDQEB-UHFFFAOYSA-N 2 0 239.338 1.839 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H]2O)CC[N@@H+]1C ZINC000252153053 363179579 /nfs/dbraw/zinc/17/95/79/363179579.db2.gz OUXZEPNDYLYBML-LPWJVIDDSA-N 2 0 226.364 1.220 20 0 BDADRP CCC[NH+]1CCC(N[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414944610 352367518 /nfs/dbraw/zinc/36/75/18/352367518.db2.gz HCQDHNKFPDAJIG-TZMCWYRMSA-N 2 0 239.407 1.591 20 0 BDADRP CCCC[C@H](COC)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414947133 352370800 /nfs/dbraw/zinc/37/08/00/352370800.db2.gz KOHOEHRTUUUUGX-FRRDWIJNSA-N 2 0 228.380 1.922 20 0 BDADRP CCOC1CC(C[NH2+]C[C@H]2CCC[N@H+](C)C2)C1 ZINC000638588814 352420307 /nfs/dbraw/zinc/42/03/07/352420307.db2.gz OJASWPHCQDCGSZ-IYXRBSQSSA-N 2 0 240.391 1.733 20 0 BDADRP CCC[C@H]([NH3+])C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000040831329 352604996 /nfs/dbraw/zinc/60/49/96/352604996.db2.gz MHNMVVKCUUSUKV-NEPJUHHUSA-N 2 0 243.395 1.206 20 0 BDADRP CC(C)(O)C[NH+]1CCC([NH2+]CCCF)CC1 ZINC000638755793 352689262 /nfs/dbraw/zinc/68/92/62/352689262.db2.gz BCZBXOIVPNRAPZ-UHFFFAOYSA-N 2 0 232.343 1.171 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@H]2CCC[C@@H]2OC)CC1 ZINC000341882864 352730122 /nfs/dbraw/zinc/73/01/22/352730122.db2.gz HIHYUEPQBKYUOR-OCCSQVGLSA-N 2 0 240.391 1.875 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@@H]2CCC[C@H]2OC)CC1 ZINC000341882862 352730228 /nfs/dbraw/zinc/73/02/28/352730228.db2.gz HIHYUEPQBKYUOR-GXTWGEPZSA-N 2 0 240.391 1.875 20 0 BDADRP C([C@H]1CCC[NH2+]C1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000334227459 352822007 /nfs/dbraw/zinc/82/20/07/352822007.db2.gz GBDBSUIZKSTPAH-UONOGXRCSA-N 2 0 237.391 1.062 20 0 BDADRP C[C@@H]1[C@@H](CO)CCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000412079246 191254089 /nfs/dbraw/zinc/25/40/89/191254089.db2.gz LCEIAKSSWIXSJR-MCIONIFRSA-N 2 0 240.391 1.564 20 0 BDADRP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@H]3CCCO3)C2)C1 ZINC000334235415 352852751 /nfs/dbraw/zinc/85/27/51/352852751.db2.gz HAPWMTWYMUHVIK-ZIAGYGMSSA-N 2 0 238.375 1.583 20 0 BDADRP CC(C)[NH+](CCN[C@H]1C[N@H+](C)C[C@@H]1C)C(C)C ZINC000342852764 352875391 /nfs/dbraw/zinc/87/53/91/352875391.db2.gz RTHXDQYYVXHYCO-KBPBESRZSA-N 2 0 241.423 1.645 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000334270930 352907692 /nfs/dbraw/zinc/90/76/92/352907692.db2.gz GFLGTORCKJUTRT-KBPBESRZSA-N 2 0 239.407 1.353 20 0 BDADRP Cc1nccn1CC[N@H+]1CCC[C@@H](CO)[C@H]1C ZINC000412099231 191259569 /nfs/dbraw/zinc/25/95/69/191259569.db2.gz WIJXMYQTSWCGPQ-YPMHNXCESA-N 2 0 237.347 1.284 20 0 BDADRP CO[C@H](C[NH2+]CC1=CC[N@H+](C)CC1)CC(C)C ZINC000638839148 353016631 /nfs/dbraw/zinc/01/66/31/353016631.db2.gz YMZIKCVVPXGSHR-AWEZNQCLSA-N 2 0 240.391 1.899 20 0 BDADRP CC[C@@H](C)[C@@H](C[NH2+]CC1=CC[N@H+](C)CC1)OC ZINC000638838182 353023166 /nfs/dbraw/zinc/02/31/66/353023166.db2.gz DXKWLGPQHVZGQJ-TZMCWYRMSA-N 2 0 240.391 1.899 20 0 BDADRP CC[NH+](CC)CC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638820448 353000545 /nfs/dbraw/zinc/00/05/45/353000545.db2.gz WGGKZERHQYISEL-GFCCVEGCSA-N 2 0 241.379 1.058 20 0 BDADRP CC1([NH3+])CC[NH+]([C@H]2CCSC2)CC1 ZINC000307514061 353080123 /nfs/dbraw/zinc/08/01/23/353080123.db2.gz OHLDGNPNMHMZFK-VIFPVBQESA-N 2 0 200.351 1.305 20 0 BDADRP CC(C)[C@H](Cn1cccn1)[NH2+]CCC[NH+](C)C ZINC000302379442 188074846 /nfs/dbraw/zinc/07/48/46/188074846.db2.gz DMJZTJYNCJSSSG-ZDUSSCGKSA-N 2 0 238.379 1.449 20 0 BDADRP CC(C)[C@H](O)CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000305170941 188078000 /nfs/dbraw/zinc/07/80/00/188078000.db2.gz UGODTCVPVIYRIZ-REWJHTLYSA-N 2 0 242.407 1.712 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@@H](OC)C2CC2)CC1 ZINC000340488341 188083885 /nfs/dbraw/zinc/08/38/85/188083885.db2.gz NZRVSZWRYKWABE-CYBMUJFWSA-N 2 0 226.364 1.485 20 0 BDADRP C1=CCN(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000355569188 188098239 /nfs/dbraw/zinc/09/82/39/188098239.db2.gz QISSATSEUZNSFC-LSDHHAIUSA-N 2 0 249.402 1.465 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CC[NH+](CC(C)C)CC1 ZINC000055083697 188086777 /nfs/dbraw/zinc/08/67/77/188086777.db2.gz BWRJEAPMPKJTFG-CQSZACIVSA-N 2 0 241.423 1.633 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH2+]C2CCC(O)CC2)C1 ZINC000054239852 188127304 /nfs/dbraw/zinc/12/73/04/188127304.db2.gz AIBXKKIPXXKSDK-HIFPTAJRSA-N 2 0 226.364 1.221 20 0 BDADRP Cc1ccc(C)c(C[NH2+]CCN2CC[NH2+]CC2)c1 ZINC000083377658 188141877 /nfs/dbraw/zinc/14/18/77/188141877.db2.gz SXGQXFQZGQNSDS-UHFFFAOYSA-N 2 0 247.386 1.298 20 0 BDADRP CC(C)[N@@H+]1CCCN(CC(C)(C)[NH3+])CC1 ZINC000108329519 188161623 /nfs/dbraw/zinc/16/16/23/188161623.db2.gz TZQUWYNFJNGGDJ-UHFFFAOYSA-N 2 0 213.369 1.140 20 0 BDADRP C1C([NH2+][C@H]2CCOC2)CC1N1CCCCC1 ZINC000309700124 188150241 /nfs/dbraw/zinc/15/02/41/188150241.db2.gz SLOMYYDXMMJOPL-HIFPTAJRSA-N 2 0 224.348 1.382 20 0 BDADRP CC(C)C[C@H](CNC(=O)CC[C@@H](C)[NH3+])[NH+](C)C ZINC000070317489 188220535 /nfs/dbraw/zinc/22/05/35/188220535.db2.gz QYDMITRCMGFPHJ-VXGBXAGGSA-N 2 0 243.395 1.206 20 0 BDADRP C[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)C[C@H]1N(C)C ZINC000251798454 353288029 /nfs/dbraw/zinc/28/80/29/353288029.db2.gz NVEKYAWKJLHEMG-TZMCWYRMSA-N 2 0 239.407 1.258 20 0 BDADRP CC(C)[C@H](O)C1(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000331562374 188226569 /nfs/dbraw/zinc/22/65/69/188226569.db2.gz XJCVZIHIBJAPBU-TUAOUCFPSA-N 2 0 226.364 1.253 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@H]1NC[C@H]1CC[NH+](C2CC2)C1 ZINC000343273520 353301995 /nfs/dbraw/zinc/30/19/95/353301995.db2.gz YEDFAKQPIGBWDK-YRGRVCCFSA-N 2 0 237.391 1.010 20 0 BDADRP C[C@H](c1ccccn1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252698933 353303828 /nfs/dbraw/zinc/30/38/28/353303828.db2.gz PXIDIYDVKJNIQW-UTUOFQBUSA-N 2 0 219.332 1.812 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCSC1 ZINC000252981656 353313869 /nfs/dbraw/zinc/31/38/69/353313869.db2.gz SDAYOXYNBIWXAI-DCAQKATOSA-N 2 0 214.378 1.599 20 0 BDADRP Cc1ccsc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000085282322 538115928 /nfs/dbraw/zinc/11/59/28/538115928.db2.gz OOTNZOOJYSOJMY-QWRGUYRKSA-N 2 0 222.357 1.708 20 0 BDADRP C[C@H](CCO)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000085127149 538115648 /nfs/dbraw/zinc/11/56/48/538115648.db2.gz NGXPHHNQXNSXQA-VXGBXAGGSA-N 2 0 228.380 1.325 20 0 BDADRP [NH3+]CCCC(=O)N1CC[C@H](C[NH3+])c2ccccc21 ZINC000639070632 353386172 /nfs/dbraw/zinc/38/61/72/353386172.db2.gz BZFLTTXTYJYQSF-LLVKDONJSA-N 2 0 247.342 1.205 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc(O)c3)C[C@@H]21 ZINC000230126203 353473288 /nfs/dbraw/zinc/47/32/88/353473288.db2.gz NYESHHZTXMSUHL-VHDGCEQUSA-N 2 0 246.354 1.951 20 0 BDADRP C[C@H]([NH3+])[C@H](C)NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000563874991 353725525 /nfs/dbraw/zinc/72/55/25/353725525.db2.gz BWBWVKUICZYJFQ-GVXVVHGQSA-N 2 0 249.358 1.319 20 0 BDADRP C1CC1[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000232450697 353727140 /nfs/dbraw/zinc/72/71/40/353727140.db2.gz YFZVWULYZVYASS-AGIUHOORSA-N 2 0 224.348 1.286 20 0 BDADRP CC[NH2+]CC1CC[NH+](CCOCC(C)C)CC1 ZINC000233486836 353823609 /nfs/dbraw/zinc/82/36/09/353823609.db2.gz GTAHIHBEMBJCEV-UHFFFAOYSA-N 2 0 242.407 1.981 20 0 BDADRP CCCn1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cn1 ZINC000220337072 353829308 /nfs/dbraw/zinc/82/93/08/353829308.db2.gz JMRNMAOCXWYVQS-RYUDHWBXSA-N 2 0 236.363 1.462 20 0 BDADRP CC[NH+]1C[C@H](C)[C@H](NC[C@H]2CC[N@@H+](CC)C2)C1 ZINC000343557947 353921166 /nfs/dbraw/zinc/92/11/66/353921166.db2.gz GOHAHIVIBIXIQJ-BFHYXJOUSA-N 2 0 239.407 1.258 20 0 BDADRP CC[N@H+](CCN[C@@H]1C[NH+](CC)C[C@@H]1C)C1CC1 ZINC000343916037 354040631 /nfs/dbraw/zinc/04/06/31/354040631.db2.gz PIOGHSZVLSSONU-GXTWGEPZSA-N 2 0 239.407 1.401 20 0 BDADRP C[NH+](C)[C@H]1CCC[N@H+](C[C@H](O)C(C)(C)C)CC1 ZINC000343915932 354040687 /nfs/dbraw/zinc/04/06/87/354040687.db2.gz GALPHUXYVTXSRE-STQMWFEESA-N 2 0 242.407 1.810 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000038040556 358482423 /nfs/dbraw/zinc/48/24/23/358482423.db2.gz HIAHBPUSGDUXOM-CYBMUJFWSA-N 3 0 241.423 1.839 20 0 BDADRP CN(CCC[N@H+](C)CCC1CC1)CC[NH+](C)C ZINC000344019911 354082127 /nfs/dbraw/zinc/08/21/27/354082127.db2.gz AFVKOXZYYZIHJN-UHFFFAOYSA-N 2 0 241.423 1.602 20 0 BDADRP COCC1(C[N@H+](C)CCC[NH+](C)C)CCC1 ZINC000639167124 354046543 /nfs/dbraw/zinc/04/65/43/354046543.db2.gz AUXVXUOCPMHSJK-UHFFFAOYSA-N 2 0 228.380 1.687 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCOC2)[C@@H]2CCC[C@@H]21 ZINC000343980369 354058178 /nfs/dbraw/zinc/05/81/78/354058178.db2.gz IXZCQJASWFEMET-RFGFWPKPSA-N 2 0 238.375 1.628 20 0 BDADRP CC[C@@H](C)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344029798 354091985 /nfs/dbraw/zinc/09/19/85/354091985.db2.gz AVPNDGJKVNVBHE-CYBMUJFWSA-N 2 0 229.412 1.600 20 0 BDADRP CCCC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000449671919 202000361 /nfs/dbraw/zinc/00/03/61/202000361.db2.gz LDAKGEMMAYDXEJ-CYBMUJFWSA-N 2 0 247.342 1.746 20 0 BDADRP C[C@H]1C[N@H+](C)C[C@H]1NCC[NH+](C)C1CCCC1 ZINC000344226788 354183644 /nfs/dbraw/zinc/18/36/44/354183644.db2.gz DMGVHZJJLBEOPF-GXTWGEPZSA-N 2 0 239.407 1.401 20 0 BDADRP C[NH2+]C1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000578070705 366219355 /nfs/dbraw/zinc/21/93/55/366219355.db2.gz BTOBMUALHVPNHS-LBPRGKRZSA-N 3 0 225.380 1.060 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](CCc2cncn2C)C1 ZINC000334706744 354500151 /nfs/dbraw/zinc/50/01/51/354500151.db2.gz WRTVDICRXKESCU-MNOVXSKESA-N 2 0 207.321 1.693 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400943898 491069085 /nfs/dbraw/zinc/06/90/85/491069085.db2.gz CDJMHCZHXONSJC-YIYPIFLZSA-N 3 0 239.407 1.304 20 0 BDADRP CSC1(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CCC1 ZINC000335179107 354965474 /nfs/dbraw/zinc/96/54/74/354965474.db2.gz QGWSGLWYBCPIGZ-TXEJJXNPSA-N 2 0 240.416 1.766 20 0 BDADRP C(C[NH2+]C[C@@H]1CCCOC1)C[NH+]1CCCCC1 ZINC000113462961 355006748 /nfs/dbraw/zinc/00/67/48/355006748.db2.gz GZVCJFRMPKNALB-AWEZNQCLSA-N 2 0 240.391 1.879 20 0 BDADRP CC[C@@H]1C[C@H](C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)CCO1 ZINC000346645627 355017248 /nfs/dbraw/zinc/01/72/48/355017248.db2.gz DZMNFRCXGUYGDQ-REWJHTLYSA-N 2 0 240.391 1.861 20 0 BDADRP CC[NH+]1CCC(N[C@H]2CCC[N@H+](C)[C@H]2C)CC1 ZINC000346786428 355116556 /nfs/dbraw/zinc/11/65/56/355116556.db2.gz DZPDGHPZAFPQCG-JSGCOSHPSA-N 2 0 239.407 1.543 20 0 BDADRP C[N@H+](C[C@@H]1CCC[NH2+]C1)[C@H](CO)C(C)(C)C ZINC000346988387 355188455 /nfs/dbraw/zinc/18/84/55/355188455.db2.gz QYAJIJBNVNZJQB-VXGBXAGGSA-N 2 0 228.380 1.325 20 0 BDADRP C[N@H+](C[C@@H]1CCC[C@H]1O)CC1CC[NH2+]CC1 ZINC000346989425 355189523 /nfs/dbraw/zinc/18/95/23/355189523.db2.gz RJPIZXXFOCGQJG-QWHCGFSZSA-N 2 0 226.364 1.079 20 0 BDADRP COC(=O)CCC(C)(C)[NH2+]CC1CC[NH2+]CC1 ZINC000346991298 355190304 /nfs/dbraw/zinc/19/03/04/355190304.db2.gz SOCJPCZBCJDISP-UHFFFAOYSA-N 2 0 242.363 1.307 20 0 BDADRP C[C@H]1CN(CCSCC[NH+](C)C)CCO1 ZINC000412996322 191332416 /nfs/dbraw/zinc/33/24/16/191332416.db2.gz FTCFZJQKBSXLJK-NSHDSACASA-N 2 0 232.393 1.002 20 0 BDADRP COC(=O)CC1([NH2+]C[C@H]2CCC[NH2+]C2)CCC1 ZINC000346996823 355194728 /nfs/dbraw/zinc/19/47/28/355194728.db2.gz DAJZMCLJPZVPCS-NSHDSACASA-N 2 0 240.347 1.061 20 0 BDADRP CCN1CC[C@H]([NH2+][C@H](C)Cc2cnccn2)C1 ZINC000639266013 355324535 /nfs/dbraw/zinc/32/45/35/355324535.db2.gz IBSBSDXQBLENMJ-NEPJUHHUSA-N 2 0 234.347 1.091 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCO[C@@H](C)C1 ZINC000388942663 355372336 /nfs/dbraw/zinc/37/23/36/355372336.db2.gz SGXHKQYYXNGISQ-AGIUHOORSA-N 2 0 228.380 1.909 20 0 BDADRP CO[C@H](C)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000191199145 355344349 /nfs/dbraw/zinc/34/43/49/355344349.db2.gz SXZLXRFLEWVKMH-LLVKDONJSA-N 2 0 214.353 1.484 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCCC2(O)CCC2)CC[N@@H+]1C ZINC000639277051 355353414 /nfs/dbraw/zinc/35/34/14/355353414.db2.gz RQZKOPYTUQTOEP-CHWSQXEVSA-N 2 0 240.391 1.754 20 0 BDADRP Cc1n[nH]c(C)c1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000335783278 355431596 /nfs/dbraw/zinc/43/15/96/355431596.db2.gz NVUHXUBKOXNWIV-KCJUWKMLSA-N 2 0 222.336 1.196 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000414754773 191562384 /nfs/dbraw/zinc/56/23/84/191562384.db2.gz SEQRTLITNVKXHZ-UPJWGTAASA-N 2 0 225.380 1.186 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000414765637 191564173 /nfs/dbraw/zinc/56/41/73/191564173.db2.gz PWRCUYRKDUWJBP-STQMWFEESA-N 2 0 225.380 1.045 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+]CC[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000414848514 191600554 /nfs/dbraw/zinc/60/05/54/191600554.db2.gz XCKHBAXQKWJPKJ-MGPQQGTHSA-N 3 0 239.407 1.354 20 0 BDADRP C[C@H](CC[NH3+])NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000349941313 355532789 /nfs/dbraw/zinc/53/27/89/355532789.db2.gz WTGCWJTVJLOJGK-LLVKDONJSA-N 2 0 249.358 1.215 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]Cc1cccc2c1NCC2 ZINC000415017150 191651061 /nfs/dbraw/zinc/65/10/61/191651061.db2.gz FCHFEWRMQYBNPN-LLVKDONJSA-N 2 0 233.359 1.872 20 0 BDADRP CC(C)[C@H]1C[C@@H]([NH2+][C@H](C)CCC[NH3+])CCO1 ZINC000415017709 191653322 /nfs/dbraw/zinc/65/33/22/191653322.db2.gz FTIGJMVFUNNIQL-FRRDWIJNSA-N 2 0 228.380 1.907 20 0 BDADRP [NH2+]=C(NCC[NH+]1CCCC1)NC1CCCC1 ZINC000054134792 181198817 /nfs/dbraw/zinc/19/88/17/181198817.db2.gz WSYLUCWASFZTGV-UHFFFAOYSA-N 2 0 224.352 1.139 20 0 BDADRP C[NH2+]Cc1ccc(N[C@H]2CCC[NH2+]CC2)cc1 ZINC000414968460 191636008 /nfs/dbraw/zinc/63/60/08/191636008.db2.gz CQPPNQVCMJOKAX-ZDUSSCGKSA-N 2 0 233.359 1.960 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+](CC3CCC3)C2)C1 ZINC000335859130 355604752 /nfs/dbraw/zinc/60/47/52/355604752.db2.gz CJLSMZOZUSWASC-CYBMUJFWSA-N 2 0 208.349 1.814 20 0 BDADRP Cc1ncc(C[NH+]2CCC(C[NH+](C)C)CC2)cn1 ZINC000350152726 355616424 /nfs/dbraw/zinc/61/64/24/355616424.db2.gz ZTXAHUTXTQKZOV-UHFFFAOYSA-N 2 0 248.374 1.559 20 0 BDADRP CCC[NH+](CC)CCNC(=O)C[N@@H+](C)CCC ZINC000350002325 355573526 /nfs/dbraw/zinc/57/35/26/355573526.db2.gz JTHGMNOMMOIKSB-UHFFFAOYSA-N 2 0 243.395 1.176 20 0 BDADRP CC(C)C[C@@H]([NH3+])CNCCC[NH2+]C1CC1 ZINC000415072957 191669667 /nfs/dbraw/zinc/66/96/67/191669667.db2.gz XPOCLALLCCELII-LLVKDONJSA-N 2 0 213.369 1.092 20 0 BDADRP [NH3+]CC1CCC([NH2+]C[C@@H]2CCCO2)CC1 ZINC000415080441 191674033 /nfs/dbraw/zinc/67/40/33/191674033.db2.gz JJCOAUYWTMNTDE-MCIGGMRASA-N 2 0 212.337 1.273 20 0 BDADRP C[NH+](C)CC1CC[NH+](Cc2ccccn2)CC1 ZINC000350226011 355652233 /nfs/dbraw/zinc/65/22/33/355652233.db2.gz ZXSXPEDQFUVDOY-UHFFFAOYSA-N 2 0 233.359 1.855 20 0 BDADRP CCCN1CC[C@H]([NH2+]C2CC(n3cccn3)C2)C1 ZINC000639330259 355747157 /nfs/dbraw/zinc/74/71/57/355747157.db2.gz MXILCIPXCHSHRK-HSBZDZAISA-N 2 0 248.374 1.661 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000191656946 355753746 /nfs/dbraw/zinc/75/37/46/355753746.db2.gz NZQAICPEASKCPZ-QNWHQSFQSA-N 2 0 226.364 1.626 20 0 BDADRP Nc1ncc(C[N@@H+]2CCCC[C@H]2CC[NH3+])s1 ZINC000352540742 181209285 /nfs/dbraw/zinc/20/92/85/181209285.db2.gz OVZDBMOGGBTDKH-VIFPVBQESA-N 2 0 240.376 1.259 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCNC1)[C@@H]1CCCOC1 ZINC000389142720 355730582 /nfs/dbraw/zinc/73/05/82/355730582.db2.gz YQSFNXBNEBBDNR-QJPTWQEYSA-N 2 0 212.337 1.143 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCOC1(C)C ZINC000328263981 355851088 /nfs/dbraw/zinc/85/10/88/355851088.db2.gz SRLONQARLCRWIM-GFCCVEGCSA-N 2 0 228.380 1.874 20 0 BDADRP CC(C)[C@@H]1CN(C)CC[N@@H+]1CC1CC[NH2+]CC1 ZINC000336054859 134065932 /nfs/dbraw/zinc/06/59/32/134065932.db2.gz OHTRFAUEZGBPMX-AWEZNQCLSA-N 2 0 239.407 1.258 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000417809251 191932540 /nfs/dbraw/zinc/93/25/40/191932540.db2.gz GRNSCGATIXNZAH-IJLUTSLNSA-N 2 0 241.379 1.008 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCOCC3CC3)C[C@H]12 ZINC000351492430 356001465 /nfs/dbraw/zinc/00/14/65/356001465.db2.gz KWFQWFHURRJLNI-FRRDWIJNSA-N 2 0 224.348 1.082 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](CO)C1CCCCC1 ZINC000395215240 355972898 /nfs/dbraw/zinc/97/28/98/355972898.db2.gz KFFDIYHSECESNN-AAEUAGOBSA-N 2 0 228.380 1.645 20 0 BDADRP C(C[N@H+](C[C@H]1CCOC1)C1CC1)[C@@H]1CC[NH2+]C1 ZINC000420299071 192205704 /nfs/dbraw/zinc/20/57/04/192205704.db2.gz GFHBKJWRODWHCY-QWHCGFSZSA-N 2 0 238.375 1.487 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420269529 192195494 /nfs/dbraw/zinc/19/54/94/192195494.db2.gz IEYUSOPZVGQAKX-UONOGXRCSA-N 3 0 239.407 1.308 20 0 BDADRP C[NH2+][C@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000420276383 192198398 /nfs/dbraw/zinc/19/83/98/192198398.db2.gz RPLCANSPOVEZSD-ZDUSSCGKSA-N 2 0 225.380 1.156 20 0 BDADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420288582 192202144 /nfs/dbraw/zinc/20/21/44/192202144.db2.gz JIERRYFZIFDHPJ-OLZOCXBDSA-N 3 0 227.396 1.291 20 0 BDADRP C(CN1CCC[C@H]2C[NH2+]C[C@H]21)[C@@H]1CCC[NH2+]C1 ZINC000420346057 192216083 /nfs/dbraw/zinc/21/60/83/192216083.db2.gz XIHUHYAFIWRHDQ-MELADBBJSA-N 2 0 237.391 1.060 20 0 BDADRP Cc1cccc([C@@H](C)[N@H+](C)C[C@H](O)C[NH3+])c1 ZINC000420349920 192218193 /nfs/dbraw/zinc/21/81/93/192218193.db2.gz FEHLVHAMMIYQDV-DGCLKSJQSA-N 2 0 222.332 1.307 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC[C@H]1CCCCO1 ZINC000420308133 192211031 /nfs/dbraw/zinc/21/10/31/192211031.db2.gz CLQPQEHGNOYPGN-FRRDWIJNSA-N 2 0 226.364 1.615 20 0 BDADRP COC1CCC([N@H+](C)CC[C@H]2CC[NH2+]C2)CC1 ZINC000420308053 192211345 /nfs/dbraw/zinc/21/13/45/192211345.db2.gz RXHVECDPGWGGSS-IYXRBSQSSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000420312244 192211497 /nfs/dbraw/zinc/21/14/97/192211497.db2.gz SAMJPXJGOSSMCK-KBPBESRZSA-N 2 0 239.407 1.532 20 0 BDADRP CC[NH+](CC)CCCN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000420317318 192212281 /nfs/dbraw/zinc/21/22/81/192212281.db2.gz ZJBINLKTWZNSTO-IHRRRGAJSA-N 2 0 239.407 1.387 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC[C@@H]3CCC[NH2+]C3)C[C@H]12 ZINC000420314677 192212560 /nfs/dbraw/zinc/21/25/60/192212560.db2.gz WAVAWXIEZASFAC-RFQIPJPRSA-N 3 0 237.391 1.045 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCC[C@H]1c1c(C)n[nH]c1C ZINC000420367625 192226434 /nfs/dbraw/zinc/22/64/34/192226434.db2.gz HGBYXPPKJPZBDO-LBPRGKRZSA-N 2 0 236.363 1.773 20 0 BDADRP CC(C)[NH2+]C1CC[NH+](C[C@H]2CCO[C@H]2C)CC1 ZINC000639527511 356376704 /nfs/dbraw/zinc/37/67/04/356376704.db2.gz RRNJYFKTUNFHGE-QWHCGFSZSA-N 2 0 240.391 1.874 20 0 BDADRP COC(=O)C[C@H]1CCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420370258 192227906 /nfs/dbraw/zinc/22/79/06/192227906.db2.gz YVPGHGOQXCURCB-NWDGAFQWSA-N 2 0 240.347 1.014 20 0 BDADRP CC(C)[C@](C)(CN)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000420327864 192229032 /nfs/dbraw/zinc/22/90/32/192229032.db2.gz ZADZANVRWHTWLV-OLZOCXBDSA-N 2 0 227.396 1.339 20 0 BDADRP C[C@@H](C1CC1)[N@H+](CCN1CC[NH2+]CC1)C1CC1 ZINC000420324457 192229640 /nfs/dbraw/zinc/22/96/40/192229640.db2.gz VJJRIFJFSZBFLP-LBPRGKRZSA-N 2 0 237.391 1.155 20 0 BDADRP COCCC[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420324825 192230634 /nfs/dbraw/zinc/23/06/34/192230634.db2.gz HQDAAEHTFGVYSK-STQMWFEESA-N 2 0 226.364 1.344 20 0 BDADRP CCOC(=O)[C@H]1CCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420360308 192221880 /nfs/dbraw/zinc/22/18/80/192221880.db2.gz LWCFOSDSDGRJTF-VXGBXAGGSA-N 2 0 240.347 1.014 20 0 BDADRP C[NH2+]CCC[N@H+](CCC(=O)OC)CC(C)C ZINC000420360322 192222307 /nfs/dbraw/zinc/22/23/07/192222307.db2.gz LWYVZUOAHPCFRB-UHFFFAOYSA-N 2 0 230.352 1.117 20 0 BDADRP C[C@@H]1CN(CCC[NH+]2CCCCC2)C[C@H]1[NH3+] ZINC000420364791 192223925 /nfs/dbraw/zinc/22/39/25/192223925.db2.gz IRUDJRXKIVQNHQ-CHWSQXEVSA-N 2 0 225.380 1.141 20 0 BDADRP COCC[C@H]1CCCC[N@H+](C[C@H](C)N)C1 ZINC000420368227 192225093 /nfs/dbraw/zinc/22/50/93/192225093.db2.gz HSUGVELHUIAPBK-NWDGAFQWSA-N 2 0 214.353 1.472 20 0 BDADRP [NH3+]CCOCC[NH+]1CCC(c2ccncc2)CC1 ZINC000420367426 192225682 /nfs/dbraw/zinc/22/56/82/192225682.db2.gz VWWJBKOHZCRBNQ-UHFFFAOYSA-N 2 0 249.358 1.236 20 0 BDADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CCCF)CC1 ZINC000420388580 192234533 /nfs/dbraw/zinc/23/45/33/192234533.db2.gz XCVLYZXWGUNUAO-STQMWFEESA-N 2 0 244.354 1.564 20 0 BDADRP CCOCC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420381876 192235559 /nfs/dbraw/zinc/23/55/59/192235559.db2.gz CUMLKTUQZWFRLT-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP COCCCC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420390131 192237360 /nfs/dbraw/zinc/23/73/60/192237360.db2.gz XZMAXIMUFMYIPR-ZDUSSCGKSA-N 2 0 226.364 1.489 20 0 BDADRP CC(C)OCC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420404460 192238405 /nfs/dbraw/zinc/23/84/05/192238405.db2.gz SFFRMXBPRWNUMN-UONOGXRCSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccccn1 ZINC000420420655 192240522 /nfs/dbraw/zinc/24/05/22/192240522.db2.gz YCECHMUKFVHWAO-RYUDHWBXSA-N 2 0 219.332 1.732 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccccn1 ZINC000420420657 192241241 /nfs/dbraw/zinc/24/12/41/192241241.db2.gz YCECHMUKFVHWAO-VXGBXAGGSA-N 2 0 219.332 1.732 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccccn1 ZINC000420420653 192241348 /nfs/dbraw/zinc/24/13/48/192241348.db2.gz YCECHMUKFVHWAO-NWDGAFQWSA-N 2 0 219.332 1.732 20 0 BDADRP C[C@@H]([NH2+]CCOCC[NH3+])c1ccc(Cl)cc1 ZINC000420375276 192231732 /nfs/dbraw/zinc/23/17/32/192231732.db2.gz PCBBEIKTAXLBBW-SNVBAGLBSA-N 2 0 242.750 1.966 20 0 BDADRP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000631180706 356455656 /nfs/dbraw/zinc/45/56/56/356455656.db2.gz IJTAUJPVLLSUFK-CYBMUJFWSA-N 2 0 249.358 1.609 20 0 BDADRP CCCCOCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000222908932 535313801 /nfs/dbraw/zinc/31/38/01/535313801.db2.gz BFMIDVPFBFLHAT-QWHCGFSZSA-N 2 0 228.380 1.875 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000422923074 192507104 /nfs/dbraw/zinc/50/71/04/192507104.db2.gz VCNQMDIZQKPBJR-QWRGUYRKSA-N 2 0 241.379 1.103 20 0 BDADRP COc1cccc(CC[NH2+][C@H](C)CCC[NH3+])n1 ZINC000422988903 192518827 /nfs/dbraw/zinc/51/88/27/192518827.db2.gz AKXQTXKOMIAVNO-LLVKDONJSA-N 2 0 237.347 1.350 20 0 BDADRP CO[C@H](C)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639706279 356614755 /nfs/dbraw/zinc/61/47/55/356614755.db2.gz XGVKOZFGKLQAFS-CYBMUJFWSA-N 2 0 249.358 1.629 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCO[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000422950580 192524602 /nfs/dbraw/zinc/52/46/02/192524602.db2.gz YKDGVDDMLHQQIU-NNYUYHANSA-N 2 0 212.337 1.142 20 0 BDADRP CC(C)[C@@H](CN[C@H](C)C1C[NH2+]C1)[NH+]1CCCC1 ZINC000422962329 192526502 /nfs/dbraw/zinc/52/65/02/192526502.db2.gz FINZNUBNNFXQMI-TZMCWYRMSA-N 2 0 239.407 1.304 20 0 BDADRP CC[C@H](CN[C@@H](C)C1C[NH2+]C1)[NH+]1CCCC1 ZINC000422961225 192527472 /nfs/dbraw/zinc/52/74/72/192527472.db2.gz BDJPIVTVQVETJG-WCQYABFASA-N 2 0 225.380 1.058 20 0 BDADRP CCCC[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000041248856 358507136 /nfs/dbraw/zinc/50/71/36/358507136.db2.gz JUFOCOUXECWELS-UHFFFAOYSA-N 2 0 227.396 1.356 20 0 BDADRP CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)CCCC[NH3+] ZINC000423042094 192550155 /nfs/dbraw/zinc/55/01/55/192550155.db2.gz YOWHRVOECNXPGF-FRRDWIJNSA-N 2 0 244.379 1.288 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCCCCO ZINC000423082863 192563217 /nfs/dbraw/zinc/56/32/17/192563217.db2.gz DXCYNHBRRVJDJQ-RYUDHWBXSA-N 2 0 214.353 1.399 20 0 BDADRP CCc1cc(N2CCO[C@@H](C[NH+](C)C)C2)cc[nH+]1 ZINC000450318466 202126736 /nfs/dbraw/zinc/12/67/36/202126736.db2.gz JTXSFXUJROEBEV-AWEZNQCLSA-N 2 0 249.358 1.411 20 0 BDADRP Cc1cc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)on1 ZINC000639755827 356659239 /nfs/dbraw/zinc/65/92/39/356659239.db2.gz OBMXVCKFOIBKDI-UHFFFAOYSA-N 2 0 249.358 1.901 20 0 BDADRP CCOCC[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756153 356659284 /nfs/dbraw/zinc/65/92/84/356659284.db2.gz QQKLHBJQHHXPTM-UHFFFAOYSA-N 2 0 226.364 1.441 20 0 BDADRP C[C@@H]1CC[N@H+](CCOc2ccccc2)C[C@@H]1C[NH3+] ZINC000167762360 134153679 /nfs/dbraw/zinc/15/36/79/134153679.db2.gz HCKZWULLMOEZIX-KGLIPLIRSA-N 2 0 248.370 1.982 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])C(C)(C)O ZINC000423134941 192582110 /nfs/dbraw/zinc/58/21/10/192582110.db2.gz NAPADMYUFSNOOO-UTLUCORTSA-N 2 0 202.342 1.251 20 0 BDADRP CC(C)CCOCC[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000167791147 134154209 /nfs/dbraw/zinc/15/42/09/134154209.db2.gz VWJQNUIRWKETFM-KBPBESRZSA-N 2 0 242.407 1.966 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423142725 192585271 /nfs/dbraw/zinc/58/52/71/192585271.db2.gz VPNYAGBXHQBDRA-QYNFOATHSA-N 2 0 214.353 1.517 20 0 BDADRP CCc1cc(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)cc[nH+]1 ZINC000450391275 202150556 /nfs/dbraw/zinc/15/05/56/202150556.db2.gz QTFJYCPHRYVKFM-UONOGXRCSA-N 2 0 247.342 1.163 20 0 BDADRP C[C@H](CCO)CC[NH2+]C1CCC(C[NH3+])CC1 ZINC000423151107 192591348 /nfs/dbraw/zinc/59/13/48/192591348.db2.gz ZUAWEOVFJPQYNA-HIFPTAJRSA-N 2 0 228.380 1.502 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000578185494 366370136 /nfs/dbraw/zinc/37/01/36/366370136.db2.gz MLRWTIFVQSGUDF-BZPMIXESSA-N 2 0 248.374 1.517 20 0 BDADRP CC(C)(C)[NH2+]CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414919468 538668829 /nfs/dbraw/zinc/66/88/29/538668829.db2.gz VCZLKPXGVAPFID-GHMZBOCLSA-N 2 0 213.369 1.234 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCOC2)CC1(C)C ZINC000623356316 356792294 /nfs/dbraw/zinc/79/22/94/356792294.db2.gz IJILCYJZVKTMAS-RYUDHWBXSA-N 2 0 226.364 1.485 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@@H]2CCOC2)C1 ZINC000358232306 356863429 /nfs/dbraw/zinc/86/34/29/356863429.db2.gz UXGQAKZVKMDCLU-BFHYXJOUSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCC[C@H]1F ZINC000423177336 192611002 /nfs/dbraw/zinc/61/10/02/192611002.db2.gz HFIVGUDYKRIHKB-GMTAPVOTSA-N 2 0 202.317 1.984 20 0 BDADRP c1cc(C[NH2+]CC2COC2)n(-c2cc[nH+]cc2)n1 ZINC000623760650 356928487 /nfs/dbraw/zinc/92/84/87/356928487.db2.gz KYSNLUSUAGUCHU-UHFFFAOYSA-N 2 0 244.298 1.003 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000367384914 356936414 /nfs/dbraw/zinc/93/64/14/356936414.db2.gz IGILVHCTMPJNKS-GRYCIOLGSA-N 2 0 241.379 1.008 20 0 BDADRP COC[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623378124 356900090 /nfs/dbraw/zinc/90/00/90/356900090.db2.gz UBVFRIZSMFIZQK-VXGBXAGGSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@H]1CCC[C@H](C)C1[NH2+]CCN1CC[NH2+]CC1 ZINC000423207728 192627655 /nfs/dbraw/zinc/62/76/55/192627655.db2.gz SERXEKFFNXSGNP-STQMWFEESA-N 2 0 239.407 1.306 20 0 BDADRP Cc1c[nH+]ccc1NC[C@@H]1CCC[N@@H+]1CCCO ZINC000450598130 202207441 /nfs/dbraw/zinc/20/74/41/202207441.db2.gz PYACSSHAABIREM-ZDUSSCGKSA-N 2 0 249.358 1.071 20 0 BDADRP C[C@H](Cc1ccoc1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423221445 192633159 /nfs/dbraw/zinc/63/31/59/192633159.db2.gz ZWAYDMRHTGEFOY-DGCLKSJQSA-N 2 0 222.332 1.800 20 0 BDADRP CC(C)C[NH+]1CCC([NH2+][C@H]2CCO[C@H]2C)CC1 ZINC000120058204 357031752 /nfs/dbraw/zinc/03/17/52/357031752.db2.gz CLPVBBSZNJIBLU-JSGCOSHPSA-N 2 0 240.391 1.874 20 0 BDADRP COC[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000423217092 192632039 /nfs/dbraw/zinc/63/20/39/192632039.db2.gz SVMSTYPRUDFORY-JSGCOSHPSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C(C)(C)O ZINC000623395489 357018703 /nfs/dbraw/zinc/01/87/03/357018703.db2.gz NRLRGLQMUMLTCJ-MNOVXSKESA-N 2 0 228.380 1.608 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C(C)(C)O ZINC000623395488 357018771 /nfs/dbraw/zinc/01/87/71/357018771.db2.gz NRLRGLQMUMLTCJ-GHMZBOCLSA-N 2 0 228.380 1.608 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C(C)(C)O ZINC000623395490 357018797 /nfs/dbraw/zinc/01/87/97/357018797.db2.gz NRLRGLQMUMLTCJ-QWRGUYRKSA-N 2 0 228.380 1.608 20 0 BDADRP CC[NH2+]CCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423229364 192641489 /nfs/dbraw/zinc/64/14/89/192641489.db2.gz AZOKSELZJAAVRQ-QWHCGFSZSA-N 2 0 219.332 1.330 20 0 BDADRP COCC1(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000656200543 538784244 /nfs/dbraw/zinc/78/42/44/538784244.db2.gz ORRRXNMIHKYEQZ-VXGBXAGGSA-N 2 0 226.364 1.391 20 0 BDADRP CC(C)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000374420304 357160170 /nfs/dbraw/zinc/16/01/70/357160170.db2.gz LECCIDXFUONFQU-HZSPNIEDSA-N 2 0 240.391 1.826 20 0 BDADRP CC(C)SCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000393658392 357291747 /nfs/dbraw/zinc/29/17/47/357291747.db2.gz OMGOIGOJLQGXFW-MNOVXSKESA-N 2 0 216.394 1.988 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@@H]1CCCC[C@H]1O ZINC000393244034 357279336 /nfs/dbraw/zinc/27/93/36/357279336.db2.gz NJBCPXSWQWYFON-YVECIDJPSA-N 2 0 226.364 1.349 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2COC(C)(C)C2)C1 ZINC000396842754 357485906 /nfs/dbraw/zinc/48/59/06/357485906.db2.gz DUNKINQLXPVKDD-RYUDHWBXSA-N 2 0 226.364 1.485 20 0 BDADRP CCN(CCC[NH+](C)C)C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000230711612 357573985 /nfs/dbraw/zinc/57/39/85/357573985.db2.gz JAALGCYIFDKHIA-LLVKDONJSA-N 2 0 243.395 1.160 20 0 BDADRP CC1(C[NH2+]C[C@H](O)C[NH+]2CCCC2)CCC1 ZINC000232900985 357683470 /nfs/dbraw/zinc/68/34/70/357683470.db2.gz NKSCZEGHIRKFKB-LBPRGKRZSA-N 2 0 226.364 1.223 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000631667454 357698110 /nfs/dbraw/zinc/69/81/10/357698110.db2.gz PLDAADQHEKPFJN-GXTWGEPZSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)Cc1ccsc1)C1C[NH2+]C1 ZINC000583257239 357732763 /nfs/dbraw/zinc/73/27/63/357732763.db2.gz QQVYAXGYCVIVEE-VHSXEESVSA-N 2 0 224.373 1.877 20 0 BDADRP CN(C)CC[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000234240075 357787460 /nfs/dbraw/zinc/78/74/60/357787460.db2.gz WFFMKBANIHTVNB-CQSZACIVSA-N 2 0 234.343 1.921 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CC1(SC)CCC1 ZINC000234713583 357826837 /nfs/dbraw/zinc/82/68/37/357826837.db2.gz KQBKDUPFMPZACN-LLVKDONJSA-N 2 0 246.420 1.616 20 0 BDADRP CCOCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000193079905 357866892 /nfs/dbraw/zinc/86/68/92/357866892.db2.gz ZGHKALWSLJOWFO-UHFFFAOYSA-N 2 0 240.391 1.831 20 0 BDADRP CN(C[C@H]1CCC[N@@H+]1C)C[C@@H]1CCC[NH2+]C1 ZINC000086188743 357872152 /nfs/dbraw/zinc/87/21/52/357872152.db2.gz JTFKXJLLIMVYTB-CHWSQXEVSA-N 2 0 225.380 1.012 20 0 BDADRP COc1ccc2c(c1)[C@H]([NH2+]CCC[NH3+])CC2 ZINC000086244598 357876346 /nfs/dbraw/zinc/87/63/46/357876346.db2.gz GDGVIASPGWDJGR-CYBMUJFWSA-N 2 0 220.316 1.621 20 0 BDADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccoc1 ZINC000219304381 357994985 /nfs/dbraw/zinc/99/49/85/357994985.db2.gz DWSIICCFVQMWNI-LLVKDONJSA-N 2 0 226.320 1.508 20 0 BDADRP c1[nH]nc2c1cccc2C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000584517301 358028624 /nfs/dbraw/zinc/02/86/24/358028624.db2.gz MHBBJKZEODXBDP-LLVKDONJSA-N 2 0 244.342 1.652 20 0 BDADRP C(C[NH+]1CCCCC1)N[C@H]1CCC[NH2+]CC1 ZINC000168739659 134247632 /nfs/dbraw/zinc/24/76/32/134247632.db2.gz GWPUMVPYUBYSRG-ZDUSSCGKSA-N 2 0 225.380 1.204 20 0 BDADRP Cc1ccc(CN2CCC[C@@H]2C[NH3+])nc1 ZINC000168798872 134247656 /nfs/dbraw/zinc/24/76/56/134247656.db2.gz MSCYIZJHGUJHPO-GFCCVEGCSA-N 2 0 205.305 1.313 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2O)CC1(C)C ZINC000623418328 358062468 /nfs/dbraw/zinc/06/24/68/358062468.db2.gz MCLOHXQQQAFCBY-AVGNSLFASA-N 2 0 240.391 1.752 20 0 BDADRP CCC1([NH+](C)C)CC[NH+](CC[C@@H](C)O)CC1 ZINC000640016075 358069045 /nfs/dbraw/zinc/06/90/45/358069045.db2.gz RZFBKLGGNHRMSQ-GFCCVEGCSA-N 2 0 228.380 1.564 20 0 BDADRP CCC1([NH+](C)C)CC[NH+](C[C@H]2CCOC2)CC1 ZINC000640018198 358080958 /nfs/dbraw/zinc/08/09/58/358080958.db2.gz WGJZQFXMXDUCMF-CYBMUJFWSA-N 2 0 240.391 1.829 20 0 BDADRP COC[C@@H](C)C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000584575578 358084060 /nfs/dbraw/zinc/08/40/60/358084060.db2.gz IIVHLAJBIIIVMD-QWHCGFSZSA-N 2 0 228.380 1.590 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](CO)C2)[C@H](C)C1 ZINC000631669177 358183287 /nfs/dbraw/zinc/18/32/87/358183287.db2.gz HIPINKUMHUPDSN-NDBYEHHHSA-N 2 0 226.364 1.077 20 0 BDADRP COCC[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000223025855 358213827 /nfs/dbraw/zinc/21/38/27/358213827.db2.gz FMQYTJARATZKAY-AXFHLTTASA-N 2 0 200.326 1.271 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000222996084 358216936 /nfs/dbraw/zinc/21/69/36/358216936.db2.gz VVFBDHDORPJARP-YNEHKIRRSA-N 2 0 227.396 1.576 20 0 BDADRP C[NH2+]C[C@@H]1CCCN([C@@H](C)c2cnccn2)C1 ZINC000226969036 358346604 /nfs/dbraw/zinc/34/66/04/358346604.db2.gz ULLZKNBCWIZGTO-RYUDHWBXSA-N 2 0 234.347 1.469 20 0 BDADRP C[C@H](c1cnccn1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226969368 358347021 /nfs/dbraw/zinc/34/70/21/358347021.db2.gz HNBYZAOTZSSICC-NEPJUHHUSA-N 2 0 234.347 1.598 20 0 BDADRP COCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000045038832 358400312 /nfs/dbraw/zinc/40/03/12/358400312.db2.gz RNMSDKUJCBRMHA-RYUDHWBXSA-N 2 0 214.353 1.343 20 0 BDADRP CC[C@@H](COC)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623426874 358430666 /nfs/dbraw/zinc/43/06/66/358430666.db2.gz BXVNPNOZQOHANX-NWDGAFQWSA-N 2 0 228.380 1.874 20 0 BDADRP CC[C@H](CO)[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000219374490 134281430 /nfs/dbraw/zinc/28/14/30/134281430.db2.gz HNZZFHSYVRSVSB-MROQNXINSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1cccnc1 ZINC000219304833 134281591 /nfs/dbraw/zinc/28/15/91/134281591.db2.gz PTVBSBNVUZWLRG-LBPRGKRZSA-N 2 0 237.347 1.310 20 0 BDADRP CC[NH+](CC)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000129946402 358602067 /nfs/dbraw/zinc/60/20/67/358602067.db2.gz AFXJRNSVGJQFCS-LBPRGKRZSA-N 2 0 243.395 1.031 20 0 BDADRP COC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000130252305 358615043 /nfs/dbraw/zinc/61/50/43/358615043.db2.gz IKABRSCPQHLURP-MJBXVCDLSA-N 2 0 238.375 1.628 20 0 BDADRP CCC[NH+]1CCC(N[C@H](C)C[NH+](C)C)CC1 ZINC000130345416 358619322 /nfs/dbraw/zinc/61/93/22/358619322.db2.gz KAGXIHRXRSOXNO-GFCCVEGCSA-N 2 0 227.396 1.401 20 0 BDADRP CC[C@@H](O)CCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623429988 358689876 /nfs/dbraw/zinc/68/98/76/358689876.db2.gz YTBODGUEERVHOY-CHWSQXEVSA-N 2 0 242.407 2.000 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623429991 358690181 /nfs/dbraw/zinc/69/01/81/358690181.db2.gz YTBODGUEERVHOY-STQMWFEESA-N 2 0 242.407 2.000 20 0 BDADRP Cc1cccc(OCC[N@H+](C)CCC[NH3+])c1 ZINC000133196797 358748273 /nfs/dbraw/zinc/74/82/73/358748273.db2.gz QNENFXROLVJJSE-UHFFFAOYSA-N 2 0 222.332 1.654 20 0 BDADRP COc1ccc2c(c1)C[C@H]([NH2+]CCCC[NH3+])CC2 ZINC000133238252 358748978 /nfs/dbraw/zinc/74/89/78/358748978.db2.gz ZHPZDESVYMXUDB-CQSZACIVSA-N 2 0 248.370 1.881 20 0 BDADRP CCC[C@@H](O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000050193443 358718120 /nfs/dbraw/zinc/71/81/20/358718120.db2.gz PPNGBKZPAZCTIQ-CYBMUJFWSA-N 2 0 228.380 1.421 20 0 BDADRP C[C@H]([NH3+])CCC(=O)NCC1([NH+](C)C)CCCC1 ZINC000132420133 358723310 /nfs/dbraw/zinc/72/33/10/358723310.db2.gz HURYWOUHXYLTSK-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP CC[N@H+](C[C@H]1CCCO1)C[C@@]1(C)CC[NH2+]C1 ZINC000219860342 134292220 /nfs/dbraw/zinc/29/22/20/134292220.db2.gz PJWPFKQNUXFPQN-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP C[NH+](C)CC1CC[NH+](Cc2ccnc(N)c2)CC1 ZINC000052725810 358791274 /nfs/dbraw/zinc/79/12/74/358791274.db2.gz OOABZIJTGKHXKL-UHFFFAOYSA-N 2 0 248.374 1.437 20 0 BDADRP C[C@@H](CC[NH3+])[NH2+]Cc1cccc2c1OCCO2 ZINC000136133691 358865131 /nfs/dbraw/zinc/86/51/31/358865131.db2.gz ZFHHMAZAZXTUNC-JTQLQIEISA-N 2 0 236.315 1.285 20 0 BDADRP C[C@H](CC[NH3+])[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000136134432 358865337 /nfs/dbraw/zinc/86/53/37/358865337.db2.gz SPYABBJRVLHMIQ-SNVBAGLBSA-N 2 0 236.315 1.285 20 0 BDADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)C1CC1 ZINC000177206785 134296432 /nfs/dbraw/zinc/29/64/32/134296432.db2.gz VKZUMXLGNNOONM-GFCCVEGCSA-N 2 0 239.407 1.401 20 0 BDADRP CCCCOCC[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000069626396 359030701 /nfs/dbraw/zinc/03/07/01/359030701.db2.gz UQGSBULOSACKND-ZDUSSCGKSA-N 2 0 228.380 1.864 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H]2CCCOC2)CC1 ZINC000071011021 359070359 /nfs/dbraw/zinc/07/03/59/359070359.db2.gz XBBIQDNBHIVISU-ZDUSSCGKSA-N 2 0 226.364 1.629 20 0 BDADRP COCC[N@H+](CCC[NH3+])CCc1ccccc1 ZINC000071225081 359073494 /nfs/dbraw/zinc/07/34/94/359073494.db2.gz BFLMVKFXJYJNKF-UHFFFAOYSA-N 2 0 236.359 1.526 20 0 BDADRP CCOC(=O)CCCCC[N@@H+]1CCC[NH2+]CC1 ZINC000071292370 359074821 /nfs/dbraw/zinc/07/48/21/359074821.db2.gz OXJKRHSYGDEFSN-UHFFFAOYSA-N 2 0 242.363 1.405 20 0 BDADRP COc1ccc(C[C@@H](C)[NH2+]CCCC[NH3+])cn1 ZINC000423328684 192710446 /nfs/dbraw/zinc/71/04/46/192710446.db2.gz ODESRFZVTJBPDW-LLVKDONJSA-N 2 0 237.347 1.350 20 0 BDADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCC1([NH3+])CCC1 ZINC000423331447 192711661 /nfs/dbraw/zinc/71/16/61/192711661.db2.gz OKIORZILUMQIMR-TZMCWYRMSA-N 2 0 247.386 1.416 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@H]1CCOC1 ZINC000246813098 359167922 /nfs/dbraw/zinc/16/79/22/359167922.db2.gz AFNWDBFJZJVSSY-IGQOVBAYSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]1CCC[NH+]1CCOCC[N@H+]1CCC[C@H]1C ZINC000247184628 359199814 /nfs/dbraw/zinc/19/98/14/359199814.db2.gz WCOXGXSWBAPZRY-ZIAGYGMSSA-N 2 0 240.391 1.972 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000423466294 192782651 /nfs/dbraw/zinc/78/26/51/192782651.db2.gz NIKRTBWCKBOCSP-ZOBORPQBSA-N 2 0 240.391 1.909 20 0 BDADRP CC[C@H]([NH3+])CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423469486 192783713 /nfs/dbraw/zinc/78/37/13/192783713.db2.gz PBHVIVKKUUIJLY-BIMULSAOSA-N 2 0 219.332 1.458 20 0 BDADRP CCOC[C@H](C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423545559 192810879 /nfs/dbraw/zinc/81/08/79/192810879.db2.gz XXKILSMHANAOHH-NSHDSACASA-N 2 0 212.337 1.311 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)CCO1 ZINC000423558953 192812492 /nfs/dbraw/zinc/81/24/92/192812492.db2.gz SRLQHKVISLVIHH-FDYHWXHSSA-N 2 0 226.364 1.674 20 0 BDADRP CCn1ccnc1CN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086887053 359585646 /nfs/dbraw/zinc/58/56/46/359585646.db2.gz HOVGUYDSHCTIAJ-MNOVXSKESA-N 2 0 222.336 1.072 20 0 BDADRP CC(C)(C)CC[NH2+]CCN1CC[C@H](O)C1 ZINC000628498889 359718363 /nfs/dbraw/zinc/71/83/63/359718363.db2.gz YDVKQALZDRDFST-NSHDSACASA-N 2 0 214.353 1.079 20 0 BDADRP C[N@H+](C[C@@H](O)CN1CCC[C@@](C)(F)C1)C1CC1 ZINC000451112893 202355138 /nfs/dbraw/zinc/35/51/38/202355138.db2.gz IUXCIOWOKPGDJM-CHWSQXEVSA-N 2 0 244.354 1.266 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCOC1(C)C ZINC000451241293 202384672 /nfs/dbraw/zinc/38/46/72/202384672.db2.gz JBJGNFQEGNVXBU-NWDGAFQWSA-N 2 0 226.364 1.628 20 0 BDADRP [NH3+][C@H]1CCN(Cc2coc3ccccc23)C1 ZINC000087780854 359927415 /nfs/dbraw/zinc/92/74/15/359927415.db2.gz SORNGSDJAWATTL-NSHDSACASA-N 2 0 216.284 1.966 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@H](COC)C1CC1 ZINC000087477264 359913987 /nfs/dbraw/zinc/91/39/87/359913987.db2.gz LVFLGIJMSDAZHB-ZDUSSCGKSA-N 2 0 228.380 1.733 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@H](COC)C1CC1 ZINC000087477267 359914469 /nfs/dbraw/zinc/91/44/69/359914469.db2.gz LVFLGIJMSDAZHB-CYBMUJFWSA-N 2 0 228.380 1.733 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccncc1 ZINC000087646100 359922047 /nfs/dbraw/zinc/92/20/47/359922047.db2.gz GODBAERAGSOYTK-NWDGAFQWSA-N 2 0 219.332 1.732 20 0 BDADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)N[C@@H]1CCC[NH2+]C1 ZINC000578617450 366608509 /nfs/dbraw/zinc/60/85/09/366608509.db2.gz SSCGBXDQFOZERN-BPLDGKMQSA-N 2 0 247.386 1.287 20 0 BDADRP COC[C@@]1(C[NH2+][C@H](C(C)C)C2CC2)CCC[NH2+]1 ZINC000578617341 366608981 /nfs/dbraw/zinc/60/89/81/366608981.db2.gz DFYSZQYRVKWXSU-KGLIPLIRSA-N 2 0 240.391 1.779 20 0 BDADRP COC[C@]1(C[NH2+][C@H](C(C)C)C2CC2)CCC[NH2+]1 ZINC000578617343 366609033 /nfs/dbraw/zinc/60/90/33/366609033.db2.gz DFYSZQYRVKWXSU-ZIAGYGMSSA-N 2 0 240.391 1.779 20 0 BDADRP CN(C)c1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC000088342912 359948207 /nfs/dbraw/zinc/94/82/07/359948207.db2.gz OWXFUJRVQASSCW-UHFFFAOYSA-N 2 0 233.359 1.676 20 0 BDADRP CC[NH+](CC)CCCN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089139592 359992101 /nfs/dbraw/zinc/99/21/01/359992101.db2.gz OENQHAOQCVKYOV-UONOGXRCSA-N 2 0 241.423 1.825 20 0 BDADRP C[C@H]([NH3+])CCNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000578850056 366656929 /nfs/dbraw/zinc/65/69/29/366656929.db2.gz KEMRWSBRFSNLFO-WCQYABFASA-N 2 0 249.358 1.320 20 0 BDADRP CC[C@@H]([NH2+]CC1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000578857787 366658787 /nfs/dbraw/zinc/65/87/87/366658787.db2.gz YYFLOLIMVRCZND-OLZOCXBDSA-N 3 0 225.380 1.106 20 0 BDADRP Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cn1 ZINC000089146297 359993184 /nfs/dbraw/zinc/99/31/84/359993184.db2.gz TXIJEWCBEJHXEV-KGLIPLIRSA-N 2 0 233.359 1.997 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@@H](CO)CC2CC2)CC1(C)C ZINC000623472215 360048455 /nfs/dbraw/zinc/04/84/55/360048455.db2.gz ILIUDPLBKDPTTP-QWHCGFSZSA-N 2 0 240.391 1.610 20 0 BDADRP COc1ccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])cn1 ZINC000089147923 359993934 /nfs/dbraw/zinc/99/39/34/359993934.db2.gz YHXJYBSFMYWIFK-RYUDHWBXSA-N 2 0 235.331 1.307 20 0 BDADRP Cn1nccc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000092043500 360147448 /nfs/dbraw/zinc/14/74/48/360147448.db2.gz HVAOTPJOSSPAMR-TZMCWYRMSA-N 2 0 248.374 1.336 20 0 BDADRP CC[C@H](C)C[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000093067112 360213915 /nfs/dbraw/zinc/21/39/15/360213915.db2.gz MWXQDJRLHSZUJL-UONOGXRCSA-N 2 0 241.423 1.506 20 0 BDADRP CC[NH+](CC)CCCN[C@H](C)C[C@H]1CCC[NH2+]1 ZINC000093462344 360245702 /nfs/dbraw/zinc/24/57/02/360245702.db2.gz JCCLTYNJEBSOLX-ZIAGYGMSSA-N 2 0 241.423 1.839 20 0 BDADRP CC(C)[C@H](C)NC(=O)CN(C)CC(C)(C)C[NH3+] ZINC000093874022 360286012 /nfs/dbraw/zinc/28/60/12/360286012.db2.gz GTOVPUYCOKGFON-NSHDSACASA-N 2 0 243.395 1.064 20 0 BDADRP CC[NH+]1CCC(NCC2([NH+](C)C)CCC2)CC1 ZINC000097928266 360383530 /nfs/dbraw/zinc/38/35/30/360383530.db2.gz LDVRINBBAIQCQI-UHFFFAOYSA-N 2 0 239.407 1.545 20 0 BDADRP [NH3+]C1CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000224608297 360523015 /nfs/dbraw/zinc/52/30/15/360523015.db2.gz PECSOIITNIVHCE-VIFPVBQESA-N 2 0 200.351 1.163 20 0 BDADRP CC(C)CC[C@@H](C)[NH2+]CCN1CC[NH2+]CC1 ZINC000142360400 360502034 /nfs/dbraw/zinc/50/20/34/360502034.db2.gz QOLIGWDBDQXTIY-CYBMUJFWSA-N 2 0 227.396 1.306 20 0 BDADRP NC(=O)c1cccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000093211106 181303740 /nfs/dbraw/zinc/30/37/40/181303740.db2.gz RBPQELAJXBXJSJ-OLZOCXBDSA-N 2 0 247.342 1.145 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2(C)COC2)CC[N@@H+]1C ZINC000156307568 360963775 /nfs/dbraw/zinc/96/37/75/360963775.db2.gz IHBDRLDVNRTTAW-GHMZBOCLSA-N 2 0 212.337 1.095 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@]1(CC)CCOC1 ZINC000309638809 491153323 /nfs/dbraw/zinc/15/33/23/491153323.db2.gz KGESSGOWFCILQX-ZDUSSCGKSA-N 2 0 228.380 1.877 20 0 BDADRP CCC[C@@H](C)C[NH2+]CC1([NH3+])CCOCC1 ZINC000629387748 361040176 /nfs/dbraw/zinc/04/01/76/361040176.db2.gz MHUFOTIBKSIFRD-LLVKDONJSA-N 2 0 214.353 1.520 20 0 BDADRP [NH3+]CCCOCC[NH2+]Cc1ccccc1 ZINC000629398495 361048604 /nfs/dbraw/zinc/04/86/04/361048604.db2.gz UUWAEMLCPWBXQX-UHFFFAOYSA-N 2 0 208.305 1.142 20 0 BDADRP CC1(C)CCC[C@@H]([NH2+]CCOCCC[NH3+])C1 ZINC000629399567 361051116 /nfs/dbraw/zinc/05/11/16/361051116.db2.gz VATIOYTZCFUAMP-GFCCVEGCSA-N 2 0 228.380 1.910 20 0 BDADRP CC(C)[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C)NC2)CCO1 ZINC000629418387 361062890 /nfs/dbraw/zinc/06/28/90/361062890.db2.gz XNZFGHAYUURGIG-ZOBORPQBSA-N 2 0 240.391 1.920 20 0 BDADRP [NH3+]C1(C[NH2+][C@H]2CCC23CCC3)CCOCC1 ZINC000629518875 361118562 /nfs/dbraw/zinc/11/85/62/361118562.db2.gz CEFNFIYBJSEQRW-NSHDSACASA-N 2 0 224.348 1.417 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000629511942 361105956 /nfs/dbraw/zinc/10/59/56/361105956.db2.gz CKTQNPSJXGNAHP-ZNMIVQPWSA-N 2 0 246.354 1.597 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000629517338 361114357 /nfs/dbraw/zinc/11/43/57/361114357.db2.gz LVIWMYIIYNHARK-XQQFMLRXSA-N 2 0 238.375 1.818 20 0 BDADRP CC[C@@H]1CN(Cc2cccnc2N)CC[C@H]1[NH3+] ZINC000629527743 361134295 /nfs/dbraw/zinc/13/42/95/361134295.db2.gz DMIOGUYHPYTSIX-ZYHUDNBSSA-N 2 0 234.347 1.223 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc(C)o1 ZINC000629528602 361136418 /nfs/dbraw/zinc/13/64/18/361136418.db2.gz DRWKFCSNUQCWGH-LLVKDONJSA-N 2 0 226.320 1.475 20 0 BDADRP CC[C@H](C)[C@@H](C)[NH2+]CCOCC[NH2+]C ZINC000629529287 361138092 /nfs/dbraw/zinc/13/80/92/361138092.db2.gz XTCZQOPBWSJRBQ-WDEREUQCSA-N 2 0 202.342 1.247 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H](C)C1CCCCC1 ZINC000629529106 361138331 /nfs/dbraw/zinc/13/83/31/361138331.db2.gz RUAPQKCFDGWTOY-GFCCVEGCSA-N 2 0 228.380 1.781 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)CCCC[NH3+] ZINC000629529105 361138377 /nfs/dbraw/zinc/13/83/77/361138377.db2.gz RTTWKHMDUKMUGS-SDDRHHMPSA-N 3 0 213.369 1.234 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC000629528933 361138619 /nfs/dbraw/zinc/13/86/19/361138619.db2.gz NHNTWBZEOGPQRH-ZDUSSCGKSA-N 2 0 236.359 1.882 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H]1CCC12CCCC2 ZINC000629530467 361144411 /nfs/dbraw/zinc/14/44/11/361144411.db2.gz HMCDAJJEHHYETL-LBPRGKRZSA-N 2 0 226.364 1.535 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H](C)Cc1ccoc1 ZINC000629531069 361145814 /nfs/dbraw/zinc/14/58/14/361145814.db2.gz ZFYAZUHRZYHFRZ-NSHDSACASA-N 2 0 226.320 1.036 20 0 BDADRP CCO[C@H](C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)C1CC1 ZINC000629532309 361151985 /nfs/dbraw/zinc/15/19/85/361151985.db2.gz UVKKJMIJNWKQRS-MGPQQGTHSA-N 2 0 238.375 1.485 20 0 BDADRP CC(C)[C@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629524147 361121776 /nfs/dbraw/zinc/12/17/76/361121776.db2.gz MKQLDORFLOMXII-JTQLQIEISA-N 2 0 200.326 1.128 20 0 BDADRP Cc1nocc1CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000631218852 361181713 /nfs/dbraw/zinc/18/17/13/361181713.db2.gz IYXYAANQEZHVEI-GFCCVEGCSA-N 2 0 237.347 1.945 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCCSC2)C1 ZINC000415004542 219886642 /nfs/dbraw/zinc/88/66/42/219886642.db2.gz OIINCSYQZPXZMV-QJPTWQEYSA-N 2 0 228.405 1.989 20 0 BDADRP COCCCCN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000158524431 361199398 /nfs/dbraw/zinc/19/93/98/361199398.db2.gz TWUZDJSTKNEALM-NEPJUHHUSA-N 2 0 212.337 1.239 20 0 BDADRP CC[C@H](C(=O)N[C@H](C)C[C@H](C)[NH3+])[NH+](CC)CC ZINC000578993304 366689460 /nfs/dbraw/zinc/68/94/60/366689460.db2.gz SJRCCECWIUGCET-QJPTWQEYSA-N 2 0 243.395 1.349 20 0 BDADRP CCC[N@H+](CC)C[C@@H](C)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000579005276 366694645 /nfs/dbraw/zinc/69/46/45/366694645.db2.gz UGURLOVPAYJQMJ-MCIONIFRSA-N 2 0 241.423 1.966 20 0 BDADRP CCC[N@H+](C)CC(=O)Nc1cccc(C[NH2+]C)c1 ZINC000428308460 201007472 /nfs/dbraw/zinc/00/74/72/201007472.db2.gz IMPBDINZTOHEMZ-UHFFFAOYSA-N 2 0 249.358 1.686 20 0 BDADRP C(C1CC1)[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000579138906 366722206 /nfs/dbraw/zinc/72/22/06/366722206.db2.gz YDPUGZUDFJENSS-CQSZACIVSA-N 2 0 238.375 1.583 20 0 BDADRP CCC[N@H+](C)CC(=O)NCC1([NH3+])CCCCC1 ZINC000428459678 201019506 /nfs/dbraw/zinc/01/95/06/201019506.db2.gz NEJRPNWDDSBAHW-UHFFFAOYSA-N 2 0 241.379 1.106 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@H](F)C1)[C@H]1CC[NH2+]C1 ZINC000579232637 366740722 /nfs/dbraw/zinc/74/07/22/366740722.db2.gz RWEPQHSMMJOCPR-FIQHERPVSA-N 2 0 214.328 1.855 20 0 BDADRP COCC[C@H]1CCC[C@@H]1[NH2+]CC[C@H](C)[NH3+] ZINC000622044949 370674297 /nfs/dbraw/zinc/67/42/97/370674297.db2.gz YPTCAPBOIHTISO-TUAOUCFPSA-N 2 0 214.353 1.519 20 0 BDADRP CCC[NH+]1CCC(NCC[C@H](C)[NH3+])CC1 ZINC000622045787 370679405 /nfs/dbraw/zinc/67/94/05/370679405.db2.gz ZDBRIISLAYLOTE-NSHDSACASA-N 2 0 213.369 1.188 20 0 BDADRP CC[C@@H](C(=O)Nc1ccn2ccnc2c1)[NH+](C)C ZINC000614275722 363768126 /nfs/dbraw/zinc/76/81/26/363768126.db2.gz NEKOQELYGJYPHX-NSHDSACASA-N 2 0 246.314 1.613 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@@H](C[NH+](C)C)C1 ZINC000191791034 361359496 /nfs/dbraw/zinc/35/94/96/361359496.db2.gz ZUSZAQRMMWTIPX-AWEZNQCLSA-N 2 0 241.423 1.602 20 0 BDADRP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)n(C)n1 ZINC000579252021 366748620 /nfs/dbraw/zinc/74/86/20/366748620.db2.gz QTAKTJQWKVRHBI-GHMZBOCLSA-N 2 0 222.336 1.088 20 0 BDADRP COC[C@]1(C[NH2+]C(C2CC2)C2CC2)CCC[NH2+]1 ZINC000579342325 366761799 /nfs/dbraw/zinc/76/17/99/366761799.db2.gz FVOUAAVHPJNDPF-CQSZACIVSA-N 2 0 238.375 1.533 20 0 BDADRP C[C@@H]1CCC[C@@H](C)C1[NH2+]CCOCCC[NH3+] ZINC000629536476 361398655 /nfs/dbraw/zinc/39/86/55/361398655.db2.gz GQLYWPHPKSVVEJ-VXGBXAGGSA-N 2 0 228.380 1.766 20 0 BDADRP [NH3+]CCCOCC[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000629538514 361403727 /nfs/dbraw/zinc/40/37/27/361403727.db2.gz NLFRYDRCGHVXQM-CQSZACIVSA-N 2 0 240.391 1.910 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000629541256 361415692 /nfs/dbraw/zinc/41/56/92/361415692.db2.gz XJBNLNYHGMSDMA-XJFOESAGSA-N 2 0 240.391 1.766 20 0 BDADRP C[C@@H]([NH2+]CCOCCC[NH3+])C1CCSCC1 ZINC000629534623 361407561 /nfs/dbraw/zinc/40/75/61/361407561.db2.gz AHFVKCOLDXBOKX-LLVKDONJSA-N 2 0 246.420 1.473 20 0 BDADRP COCC1CCC([NH2+]CCOCCC[NH3+])CC1 ZINC000629535524 361409573 /nfs/dbraw/zinc/40/95/73/361409573.db2.gz COAILGKFCIOMJY-UHFFFAOYSA-N 2 0 244.379 1.147 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000629548149 361433360 /nfs/dbraw/zinc/43/33/60/361433360.db2.gz XBRHRYWQPDJYRA-MQLXINIDSA-N 2 0 237.391 1.247 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000629554239 361440062 /nfs/dbraw/zinc/44/00/62/361440062.db2.gz GFTYIFYIAVYXDS-WYUUTHIRSA-N 2 0 212.337 1.142 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000629554642 361440267 /nfs/dbraw/zinc/44/02/67/361440267.db2.gz LOYASJNASNJWHI-ODXJTPSBSA-N 2 0 238.375 1.389 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000629554313 361441238 /nfs/dbraw/zinc/44/12/38/361441238.db2.gz HPQQLFVLCBYWTC-XQHKEYJVSA-N 2 0 226.364 1.661 20 0 BDADRP FC1(F)C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CC[NH2+]C1 ZINC000629550619 361442995 /nfs/dbraw/zinc/44/29/95/361442995.db2.gz OWONWNZLUWUNOU-GARJFASQSA-N 2 0 230.302 1.858 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000629554501 361443275 /nfs/dbraw/zinc/44/32/75/361443275.db2.gz JXSXJRJQXVERBR-KKOKHZNYSA-N 2 0 212.337 1.271 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)CC1CCCCC1 ZINC000629567354 361458300 /nfs/dbraw/zinc/45/83/00/361458300.db2.gz NMTUOIDBCLGJAP-UHFFFAOYSA-N 2 0 228.380 1.735 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)CC[C@H]1CCCCO1 ZINC000629570626 361460480 /nfs/dbraw/zinc/46/04/80/361460480.db2.gz ABFKJQCDHBNNIT-CYBMUJFWSA-N 2 0 244.379 1.113 20 0 BDADRP CCC(CC)C[N@H+](C)CCOCC[NH2+]C ZINC000629572623 361463840 /nfs/dbraw/zinc/46/38/40/361463840.db2.gz ZLKLIHWRTIZIIZ-UHFFFAOYSA-N 2 0 216.369 1.590 20 0 BDADRP Cc1ccc(CC[N@H+](C)CCOCC[NH3+])cc1 ZINC000629579275 361464353 /nfs/dbraw/zinc/46/43/53/361464353.db2.gz QKJBWIBLZBSRBU-UHFFFAOYSA-N 2 0 236.359 1.445 20 0 BDADRP C(C[N@@H+]1CCCC2(CC2)CC1)N1CC[NH2+]CC1 ZINC000629586173 361475561 /nfs/dbraw/zinc/47/55/61/361475561.db2.gz MALXIVPTKBWLMJ-UHFFFAOYSA-N 2 0 237.391 1.158 20 0 BDADRP CC[C@H](C)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629594996 361482362 /nfs/dbraw/zinc/48/23/62/361482362.db2.gz LGKLCVJZZCRHPF-RWMBFGLXSA-N 2 0 210.365 1.964 20 0 BDADRP CC1CC(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000629595848 361483995 /nfs/dbraw/zinc/48/39/95/361483995.db2.gz RNDPXRBBOMSTBT-WXRRBKDZSA-N 2 0 226.364 1.079 20 0 BDADRP [NH3+]C[C@H]1C[N@H+](CCCF)CC[C@@H]1C(F)(F)F ZINC000629563361 361454627 /nfs/dbraw/zinc/45/46/27/361454627.db2.gz PKVORAMNVJSYNI-IUCAKERBSA-N 2 0 242.260 1.805 20 0 BDADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCCC(F)(F)CC1 ZINC000629560107 361454679 /nfs/dbraw/zinc/45/46/79/361454679.db2.gz XGYXZXZHMTXSEW-SNVBAGLBSA-N 2 0 236.306 1.078 20 0 BDADRP CC[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629561338 361456332 /nfs/dbraw/zinc/45/63/32/361456332.db2.gz ILSWGWYMEDFHDR-YUMQZZPRSA-N 2 0 210.243 1.465 20 0 BDADRP CC[C@@H](C(=O)N(C)CC[C@H]([NH3+])C(C)C)[NH+](C)C ZINC000629611888 361501921 /nfs/dbraw/zinc/50/19/21/361501921.db2.gz JHJQMBCUOLTVKZ-RYUDHWBXSA-N 2 0 243.395 1.158 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccn(C)c2)CC[C@H]1[NH3+] ZINC000629651792 361557561 /nfs/dbraw/zinc/55/75/61/361557561.db2.gz JQASNMREZQSPGR-ZYHUDNBSSA-N 2 0 207.321 1.194 20 0 BDADRP Cn1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000629647233 361536571 /nfs/dbraw/zinc/53/65/71/361536571.db2.gz NONKBFWHJWHQJY-MJBXVCDLSA-N 2 0 233.359 1.584 20 0 BDADRP Cn1ccc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)c1 ZINC000629647742 361537340 /nfs/dbraw/zinc/53/73/40/361537340.db2.gz HDRHVVLOYGFNJC-CYBMUJFWSA-N 2 0 221.348 1.504 20 0 BDADRP C[C@H](CC[NH3+])[NH2+]CC1=Cc2ccccc2OC1 ZINC000629647759 361537629 /nfs/dbraw/zinc/53/76/29/361537629.db2.gz IAWNYJWOGWBKQI-LLVKDONJSA-N 2 0 232.327 1.789 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@H]1CC[C@H](C)[NH2+]C1 ZINC000629660098 361564529 /nfs/dbraw/zinc/56/45/29/361564529.db2.gz NSTSVWMHRQKPMB-SRVKXCTJSA-N 2 0 213.369 1.090 20 0 BDADRP Cn1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000629649225 361543578 /nfs/dbraw/zinc/54/35/78/361543578.db2.gz MMJAMDWEJKLXQR-HUUCEWRRSA-N 2 0 247.386 1.989 20 0 BDADRP COCc1ccc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)o1 ZINC000629649189 361543768 /nfs/dbraw/zinc/54/37/68/361543768.db2.gz LELHQCYIAUEIPD-QWRGUYRKSA-N 2 0 238.331 1.643 20 0 BDADRP Cn1ccc(C[NH2+]Cc2ccc(C[NH3+])cc2)c1 ZINC000629650594 361547713 /nfs/dbraw/zinc/54/77/13/361547713.db2.gz XPFGOANHUJNSNL-UHFFFAOYSA-N 2 0 229.327 1.774 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)Cc1cccs1 ZINC000629653549 361553127 /nfs/dbraw/zinc/55/31/27/361553127.db2.gz PSZDZFXFTKFEEI-UHFFFAOYSA-N 2 0 228.361 1.416 20 0 BDADRP Cn1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000629653841 361554833 /nfs/dbraw/zinc/55/48/33/361554833.db2.gz KTZDUZWSCAQWAZ-QWHCGFSZSA-N 2 0 221.348 1.632 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)C[C@H]1CCC[NH2+]1 ZINC000629653774 361554950 /nfs/dbraw/zinc/55/49/50/361554950.db2.gz NMALCXCSMVPVQG-FVCCEPFGSA-N 2 0 225.380 1.247 20 0 BDADRP C[NH2+]CC1CC[NH+](Cc2ccn(C)c2)CC1 ZINC000629651828 361557314 /nfs/dbraw/zinc/55/73/14/361557314.db2.gz KZFWVWUDYRSMLY-UHFFFAOYSA-N 2 0 221.348 1.457 20 0 BDADRP [NH3+]C1CCC([NH2+]Cc2cscn2)CC1 ZINC000051694535 181341376 /nfs/dbraw/zinc/34/13/76/181341376.db2.gz OHWFVCQEWOMAIS-UHFFFAOYSA-N 2 0 211.334 1.503 20 0 BDADRP CCCC[N@H+](C)CCNCc1cn(C)cn1 ZINC000310037091 491159783 /nfs/dbraw/zinc/15/97/83/491159783.db2.gz UUAKDFWEJCJKQZ-UHFFFAOYSA-N 2 0 224.352 1.242 20 0 BDADRP [NH3+]C1CCC([NH2+]CC[C@@H]2CCCCO2)CC1 ZINC000223841886 181341636 /nfs/dbraw/zinc/34/16/36/181341636.db2.gz RNZPOEPHZDJZJP-BPCQOVAHSA-N 2 0 226.364 1.805 20 0 BDADRP [NH3+]C1CCC([NH2+][C@@H]2CCN3CCCC[C@H]23)CC1 ZINC000250832571 181342142 /nfs/dbraw/zinc/34/21/42/181342142.db2.gz JQGWLUJHJUMXGQ-NWINJMCUSA-N 2 0 237.391 1.473 20 0 BDADRP c1cc([C@@H]2COCC[NH2+]2)ccc1C1=CC[NH2+]CC1 ZINC000629724067 361665658 /nfs/dbraw/zinc/66/56/58/361665658.db2.gz VKZNBEMNBRUMCA-HNNXBMFYSA-N 2 0 244.338 1.724 20 0 BDADRP CC[N@H+](C[C@H]1CCOC1)[C@H]1CCC[NH2+]CC1 ZINC000435626577 201279285 /nfs/dbraw/zinc/27/92/85/201279285.db2.gz OXKBLVGRDNFVGX-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP C[NH2+]CCC[NH+]1CCC(Cn2cccn2)CC1 ZINC000435875139 201290528 /nfs/dbraw/zinc/29/05/28/201290528.db2.gz QMWQARKUFLXBAO-UHFFFAOYSA-N 2 0 236.363 1.205 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]C2CCC([NH3+])CC2)c2ccccc21 ZINC000132085958 181342880 /nfs/dbraw/zinc/34/28/80/181342880.db2.gz BIWBCXLRUHKBDH-FWFPMQDGSA-N 3 0 245.370 1.991 20 0 BDADRP C[NH2+]CCCN1CC[NH2+]Cc2ccccc21 ZINC000435876800 201293803 /nfs/dbraw/zinc/29/38/03/201293803.db2.gz ZXGMBIWOQYEXTP-UHFFFAOYSA-N 2 0 219.332 1.206 20 0 BDADRP CC[NH+](CC)C[C@@H]1CCN(CCC[NH2+]C)C1 ZINC000435882555 201294765 /nfs/dbraw/zinc/29/47/65/201294765.db2.gz ZDUXFTNNMMYWKP-ZDUSSCGKSA-N 2 0 227.396 1.260 20 0 BDADRP [NH3+]CC1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000082581719 181365504 /nfs/dbraw/zinc/36/55/04/181365504.db2.gz SWIBJWZAAIPVGA-GFCCVEGCSA-N 2 0 212.337 1.084 20 0 BDADRP [NH3+]CC1CC[NH+]([C@H]2CCCSC2)CC1 ZINC000061590675 181365648 /nfs/dbraw/zinc/36/56/48/181365648.db2.gz LSGLLXCFBIGLGO-NSHDSACASA-N 2 0 214.378 1.553 20 0 BDADRP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246513793 364599651 /nfs/dbraw/zinc/59/96/51/364599651.db2.gz UGUWOWOPXXZSDW-RWMBFGLXSA-N 2 0 242.407 1.856 20 0 BDADRP CSCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250957145 364692229 /nfs/dbraw/zinc/69/22/29/364692229.db2.gz SIMPFOVIOYIVMQ-QJPTWQEYSA-N 2 0 228.405 1.860 20 0 BDADRP CC(C)[NH+]1CCC(N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000399006861 364694003 /nfs/dbraw/zinc/69/40/03/364694003.db2.gz YZNQUSGRPZFMCH-JSGCOSHPSA-N 2 0 239.407 1.589 20 0 BDADRP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000573565918 364863118 /nfs/dbraw/zinc/86/31/18/364863118.db2.gz FPBAVDNDUQJXPU-GVXVVHGQSA-N 2 0 249.358 1.237 20 0 BDADRP [NH3+]CCC1CC[NH+](C[C@@H]2CCCC[C@H]2O)CC1 ZINC000328141558 364811458 /nfs/dbraw/zinc/81/14/58/364811458.db2.gz BCGJEYXIOMUPIC-UONOGXRCSA-N 2 0 240.391 1.598 20 0 BDADRP C[C@@H](O)[C@H]1CCCN(CC[NH2+]C(C)(C)C)C1 ZINC000573425804 364829852 /nfs/dbraw/zinc/82/98/52/364829852.db2.gz BKSVYKBTJIZAIV-NEPJUHHUSA-N 2 0 228.380 1.467 20 0 BDADRP C[NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)nc(C)n2C ZINC000573458676 364839562 /nfs/dbraw/zinc/83/95/62/364839562.db2.gz XQYFDBSUMQZVCF-QMMMGPOBSA-N 2 0 246.314 1.428 20 0 BDADRP C[C@@H](Cc1ccoc1)[NH2+]CC1CC[NH2+]CC1 ZINC000573474189 364843163 /nfs/dbraw/zinc/84/31/63/364843163.db2.gz RLYIJUNNSLMFGU-NSHDSACASA-N 2 0 222.332 1.800 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000573567984 364864412 /nfs/dbraw/zinc/86/44/12/364864412.db2.gz SOSFTRCOQOBBOQ-MISXGVKJSA-N 2 0 249.358 1.103 20 0 BDADRP Cn1cc(C[NH2+]Cc2ccc(C[NH3+])cc2)cn1 ZINC000573683688 364892133 /nfs/dbraw/zinc/89/21/33/364892133.db2.gz CZNLMJLSARTTLT-UHFFFAOYSA-N 2 0 230.315 1.169 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)C1 ZINC000573696600 364896737 /nfs/dbraw/zinc/89/67/37/364896737.db2.gz KNZDFSMCYAABPQ-KSSYENDESA-N 2 0 224.348 1.413 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1NCc1ccc(C[NH3+])cc1 ZINC000574040572 364973779 /nfs/dbraw/zinc/97/37/79/364973779.db2.gz OORIXURZDLHDKY-BXUZGUMPSA-N 2 0 233.359 1.233 20 0 BDADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCCC[C@H](C)C1 ZINC000574164482 364999755 /nfs/dbraw/zinc/99/97/55/364999755.db2.gz LHTVZHUHPLGZFW-RYUDHWBXSA-N 2 0 214.353 1.079 20 0 BDADRP [NH3+]CCC[NH2+]Cc1ccc(Br)s1 ZINC000037713386 181383846 /nfs/dbraw/zinc/38/38/46/181383846.db2.gz IQBVOFMASLVKHL-UHFFFAOYSA-N 2 0 249.177 1.949 20 0 BDADRP CS[C@H](C)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000169069954 365068256 /nfs/dbraw/zinc/06/82/56/365068256.db2.gz KJTKHHLAGNVZHT-KXUCPTDWSA-N 2 0 202.367 1.597 20 0 BDADRP O[C@@H]1CCCC[C@H]1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000574643918 365110356 /nfs/dbraw/zinc/11/03/56/365110356.db2.gz CQXATUXQYCLENY-QWHCGFSZSA-N 2 0 238.375 1.365 20 0 BDADRP [NH3+]CC[C@H]1CCC[N@H+](CCC(F)(F)F)C1 ZINC000070914884 181409307 /nfs/dbraw/zinc/40/93/07/181409307.db2.gz GBODTJXZJSGCKT-SECBINFHSA-N 2 0 224.270 2.000 20 0 BDADRP COCCCCC[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443058506 193012726 /nfs/dbraw/zinc/01/27/26/193012726.db2.gz KOVJLYCVFIXHJW-ZDUSSCGKSA-N 2 0 228.380 1.864 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC000575182657 365231638 /nfs/dbraw/zinc/23/16/38/365231638.db2.gz GYPMSBSSPJOIDA-UWVGGRQHSA-N 2 0 246.314 1.190 20 0 BDADRP C[C@H](O)C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000575740595 365347588 /nfs/dbraw/zinc/34/75/88/365347588.db2.gz DDWMCUVGZXENSK-STQMWFEESA-N 2 0 228.380 1.469 20 0 BDADRP CCn1cccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1=O ZINC000575762112 365358114 /nfs/dbraw/zinc/35/81/14/365358114.db2.gz IMHOWEKQNXVIEU-OLZOCXBDSA-N 2 0 249.358 1.228 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](CO)C1CCCCC1 ZINC000579580778 366887230 /nfs/dbraw/zinc/88/72/30/366887230.db2.gz IDZNNYSHGURHLP-GMXVVIOVSA-N 2 0 228.380 1.643 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000575924943 365416682 /nfs/dbraw/zinc/41/66/82/365416682.db2.gz ZVWXPTBVEGDUFQ-DMDPSCGWSA-N 2 0 249.358 1.319 20 0 BDADRP CC(C)[NH2+]CCCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000575859835 365387494 /nfs/dbraw/zinc/38/74/94/365387494.db2.gz VYQNOTKFXUWVOH-QWHCGFSZSA-N 2 0 227.396 1.624 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000575935450 365422180 /nfs/dbraw/zinc/42/21/80/365422180.db2.gz UBRZNAFSSVLFIU-KGLIPLIRSA-N 3 0 233.359 1.505 20 0 BDADRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]CC(C)(C)O)C1 ZINC000576149150 365500095 /nfs/dbraw/zinc/50/00/95/365500095.db2.gz LWUHPYNFALRDBW-MNOVXSKESA-N 2 0 214.353 1.220 20 0 BDADRP CC(C)[C@@H](C(=O)NCC[NH2+]C(C)(C)C)[C@H](C)[NH3+] ZINC000579709580 366986957 /nfs/dbraw/zinc/98/69/57/366986957.db2.gz WZCNRHBITOUCOT-WDEREUQCSA-N 2 0 243.395 1.110 20 0 BDADRP Cc1nccn1CCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000580963634 367220618 /nfs/dbraw/zinc/22/06/18/367220618.db2.gz VDDQLHKLHWDXDE-QWHCGFSZSA-N 2 0 236.363 1.441 20 0 BDADRP [NH3+][C@@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000580844562 367187254 /nfs/dbraw/zinc/18/72/54/367187254.db2.gz RSOWQBTXNMBCQR-MCIONIFRSA-N 2 0 233.359 1.546 20 0 BDADRP CC[N@H+](C)C[C@H](O)CN1CCS[C@@H](C)[C@@H]1C ZINC000381070296 367347087 /nfs/dbraw/zinc/34/70/87/367347087.db2.gz OBAYFRCOXKHGJN-SRVKXCTJSA-N 2 0 246.420 1.125 20 0 BDADRP COCC1(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CCC1 ZINC000381292589 367375917 /nfs/dbraw/zinc/37/59/17/367375917.db2.gz DUPSALBPMCIRMT-VXGBXAGGSA-N 2 0 226.364 1.663 20 0 BDADRP COCC1(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)CCC1 ZINC000381292588 367376305 /nfs/dbraw/zinc/37/63/05/367376305.db2.gz DUPSALBPMCIRMT-RYUDHWBXSA-N 2 0 226.364 1.663 20 0 BDADRP COC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000381745158 367454345 /nfs/dbraw/zinc/45/43/45/367454345.db2.gz PWDVBEXTHIIRLC-QWHCGFSZSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@H]1C[C@H](NCCC[NH2+]C2CC2)CC[N@@H+]1C ZINC000382578453 367543037 /nfs/dbraw/zinc/54/30/37/367543037.db2.gz IMPIUHCNOMYUFQ-WCQYABFASA-N 2 0 225.380 1.201 20 0 BDADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@H]1CCCC[C@H]1O ZINC000382384083 367513554 /nfs/dbraw/zinc/51/35/54/367513554.db2.gz KWUKGRHOVGOBNB-HZSPNIEDSA-N 2 0 240.391 1.741 20 0 BDADRP CCCC[N@H+](C)CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000581618010 367638287 /nfs/dbraw/zinc/63/82/87/367638287.db2.gz NCALMWHPFIDRAE-OLZOCXBDSA-N 2 0 227.396 1.578 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000384861433 367746214 /nfs/dbraw/zinc/74/62/14/367746214.db2.gz DMGQNJMQGYZUIE-DDHJBXDOSA-N 2 0 214.353 1.482 20 0 BDADRP Cc1nc(C[NH2+]C[C@@H](C)Cn2ccnc2)[nH]c1C ZINC000581737857 367801626 /nfs/dbraw/zinc/80/16/26/367801626.db2.gz UQVGLQACNLZRNV-SNVBAGLBSA-N 2 0 247.346 1.649 20 0 BDADRP CCC(C)(C)[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000581878691 367865600 /nfs/dbraw/zinc/86/56/00/367865600.db2.gz BDAUSNZCGVFYFY-RYUDHWBXSA-N 2 0 228.380 1.779 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]CCC(C)(C)CO)CC1 ZINC000385942268 367888194 /nfs/dbraw/zinc/88/81/94/367888194.db2.gz WFXVCQULVXROJL-UHFFFAOYSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@H](CO)C1)[C@@H]1CCCC[NH2+]1 ZINC000385956252 367889184 /nfs/dbraw/zinc/88/91/84/367889184.db2.gz DMIXETXWUMXWIN-FQUUOJAGSA-N 2 0 240.391 1.658 20 0 BDADRP CC[N@H+](CCN[C@@H](C)[C@H]1CCCC[NH2+]1)C1CC1 ZINC000386012157 367896963 /nfs/dbraw/zinc/89/69/63/367896963.db2.gz MVKMNGJPNPTNDX-GXTWGEPZSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@H]1CCCC[NH2+]1 ZINC000386039357 367902144 /nfs/dbraw/zinc/90/21/44/367902144.db2.gz SJVKPKYWFFFOCI-TZMCWYRMSA-N 3 0 239.407 1.448 20 0 BDADRP COCC(C)(C)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386547550 367990306 /nfs/dbraw/zinc/99/03/06/367990306.db2.gz GDFMNZYNIAMNQU-NEPJUHHUSA-N 2 0 228.380 1.779 20 0 BDADRP CC[N@H+](C)CCN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386575488 367994078 /nfs/dbraw/zinc/99/40/78/367994078.db2.gz NBHLPOKCNABZMG-RYUDHWBXSA-N 2 0 213.369 1.058 20 0 BDADRP Cc1ncccc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000581943535 367971906 /nfs/dbraw/zinc/97/19/06/367971906.db2.gz LFDPDRREHMSTKM-VHSXEESVSA-N 2 0 207.321 1.605 20 0 BDADRP CCN(C)C[C@H](O)C[N@H+](C)C[C@@H](C)C(C)(C)C ZINC000399537142 368175678 /nfs/dbraw/zinc/17/56/78/368175678.db2.gz XCYXGIUMRDSOJM-OLZOCXBDSA-N 2 0 244.423 1.913 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CCS1 ZINC000252980167 368176782 /nfs/dbraw/zinc/17/67/82/368176782.db2.gz LDPMAQJAZRIYLB-GHMZBOCLSA-N 2 0 214.378 1.423 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)O1 ZINC000253196854 368613115 /nfs/dbraw/zinc/61/31/15/368613115.db2.gz UDXGIRJMVKRDEN-UMSGYPCISA-N 2 0 226.364 1.471 20 0 BDADRP NC(=[NH2+])NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000073757072 368814984 /nfs/dbraw/zinc/81/49/84/368814984.db2.gz XWZZPWKESMQFKC-GFCCVEGCSA-N 2 0 232.331 1.307 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCc2ccncc2)C1 ZINC000086403270 368879657 /nfs/dbraw/zinc/87/96/57/368879657.db2.gz FASHEOPOSCJVCF-CHWSQXEVSA-N 2 0 219.332 1.484 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCN2CCCCC2)C1 ZINC000086403687 368879835 /nfs/dbraw/zinc/87/98/35/368879835.db2.gz JBSXVYPGKVWMEN-CHWSQXEVSA-N 2 0 225.380 1.332 20 0 BDADRP C[N@@H+]1CCC[C@H](CN[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000086403738 368880364 /nfs/dbraw/zinc/88/03/64/368880364.db2.gz CESWUKKBVMLPFO-FRRDWIJNSA-N 2 0 225.380 1.188 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCOCC(F)(F)F)C1 ZINC000086404276 368881388 /nfs/dbraw/zinc/88/13/88/368881388.db2.gz FPUISHNPRBJANS-IUCAKERBSA-N 2 0 240.269 1.425 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCOCC2)C1 ZINC000086874076 368886235 /nfs/dbraw/zinc/88/62/35/368886235.db2.gz LTIRHYOKNSVPJE-ZIAGYGMSSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1cccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])n1 ZINC000089146014 368936777 /nfs/dbraw/zinc/93/67/77/368936777.db2.gz ATDCZOSMPKOIAN-JSGCOSHPSA-N 2 0 233.359 1.997 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCC12CCOCC2 ZINC000567343968 326167976 /nfs/dbraw/zinc/16/79/76/326167976.db2.gz JJZSUSUPUMKNFH-NWDGAFQWSA-N 2 0 226.364 1.391 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccccc2N(C)C)C[C@H]1C[NH3+] ZINC000631838189 369119810 /nfs/dbraw/zinc/11/98/10/369119810.db2.gz KHLFIITZNQJKLN-TZMCWYRMSA-N 2 0 247.386 1.779 20 0 BDADRP Cc1ccc(C)c(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000107573142 369353901 /nfs/dbraw/zinc/35/39/01/369353901.db2.gz MYFXHJSYJWJEJK-HUUCEWRRSA-N 2 0 230.355 1.955 20 0 BDADRP c1[nH+]cn2cc(C[NH2+]CC[C@@H]3CCOC3)ccc12 ZINC000459662216 203332321 /nfs/dbraw/zinc/33/23/21/203332321.db2.gz SUAYQZWNNKAARE-GFCCVEGCSA-N 2 0 245.326 1.851 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cscn2)C1 ZINC000459727983 203344829 /nfs/dbraw/zinc/34/48/29/203344829.db2.gz HWKHJAOBYPWATO-LLVKDONJSA-N 2 0 239.388 1.965 20 0 BDADRP CC[C@@H]1OCC[C@H]1[NH2+]CCC[NH+](CC)CC ZINC000459766189 203361037 /nfs/dbraw/zinc/36/10/37/203361037.db2.gz DCEVJDVDDMOPAE-OLZOCXBDSA-N 2 0 228.380 1.875 20 0 BDADRP [NH3+]Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000262407674 181481187 /nfs/dbraw/zinc/48/11/87/181481187.db2.gz CBAKIKIGELKODW-OLZOCXBDSA-N 2 0 247.342 1.003 20 0 BDADRP [NH3+]Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000262407671 181481432 /nfs/dbraw/zinc/48/14/32/181481432.db2.gz CBAKIKIGELKODW-CHWSQXEVSA-N 2 0 247.342 1.003 20 0 BDADRP COCC[C@H](C)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459782806 203367301 /nfs/dbraw/zinc/36/73/01/203367301.db2.gz NAGFSCNMNIVKOH-STQMWFEESA-N 2 0 228.380 1.733 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459791004 203370175 /nfs/dbraw/zinc/37/01/75/203370175.db2.gz RLCMJZKPQSGMOW-JHJVBQTASA-N 2 0 210.365 1.964 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CN1Cc1cccc2c1CC[NH2+]C2 ZINC000631863034 369595597 /nfs/dbraw/zinc/59/55/97/369595597.db2.gz WVEOGRSLAXCEAD-RISCZKNCSA-N 2 0 245.370 1.254 20 0 BDADRP CCn1nccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252979703 370144120 /nfs/dbraw/zinc/14/41/20/370144120.db2.gz JBSDDOPVLWJQGE-FPMFFAJLSA-N 2 0 248.374 1.462 20 0 BDADRP CC1(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000309805197 370263514 /nfs/dbraw/zinc/26/35/14/370263514.db2.gz RZALYVBQYPKAIV-SRVKXCTJSA-N 2 0 208.349 1.846 20 0 BDADRP CC1(C)CCC[NH2+][C@H]1CNCC1(F)CC1 ZINC000568367631 326350221 /nfs/dbraw/zinc/35/02/21/326350221.db2.gz BROQWVFCSZMAQX-JTQLQIEISA-N 2 0 214.328 1.856 20 0 BDADRP Cc1nccnc1CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000621729049 370480102 /nfs/dbraw/zinc/48/01/02/370480102.db2.gz HCTLJMHBABOYLJ-CQSZACIVSA-N 2 0 246.358 1.313 20 0 BDADRP CN(Cc1cncc(Cl)c1)C1CC[NH2+]CC1 ZINC000621773987 370519016 /nfs/dbraw/zinc/51/90/16/370519016.db2.gz HUWUDTIBBAFLEN-UHFFFAOYSA-N 2 0 239.750 1.919 20 0 BDADRP CCn1nccc1CC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000621775056 370521322 /nfs/dbraw/zinc/52/13/22/370521322.db2.gz FCKQMOCYODDTCF-CQSZACIVSA-N 2 0 248.374 1.131 20 0 BDADRP CCn1cc(CC[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cn1 ZINC000621775768 370523012 /nfs/dbraw/zinc/52/30/12/370523012.db2.gz YMPPQEZEXWBRSF-AWEZNQCLSA-N 2 0 248.374 1.131 20 0 BDADRP CN1CC[N@H+](CC[C@H]2CC[NH2+]C2)C(C)(C)C1 ZINC000621776576 370526035 /nfs/dbraw/zinc/52/60/35/370526035.db2.gz PEGFCPZDYMHCSE-GFCCVEGCSA-N 2 0 225.380 1.012 20 0 BDADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000631050214 371097447 /nfs/dbraw/zinc/09/74/47/371097447.db2.gz VVYDGMRDHOWWBK-ZDUSSCGKSA-N 2 0 249.358 1.609 20 0 BDADRP c1cncc(CC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631891035 371105351 /nfs/dbraw/zinc/10/53/51/371105351.db2.gz XLUCLDJSTFASCY-LSDHHAIUSA-N 2 0 245.370 1.698 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@]2(C)CO)CC[NH2+]1 ZINC000569199962 326394446 /nfs/dbraw/zinc/39/44/46/326394446.db2.gz DDLQPYRTCAYQHD-JHJVBQTASA-N 2 0 226.364 1.221 20 0 BDADRP CC[C@@](C)(CO)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623946922 371173351 /nfs/dbraw/zinc/17/33/51/371173351.db2.gz MOOHPHVFNBSZJS-AAEUAGOBSA-N 2 0 228.380 1.610 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000331424917 181572387 /nfs/dbraw/zinc/57/23/87/181572387.db2.gz ICLFHIRCCBACRT-LPWJVIDDSA-N 2 0 226.364 1.397 20 0 BDADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2cn[nH]c2)c1 ZINC000624212887 371399385 /nfs/dbraw/zinc/39/93/85/371399385.db2.gz BWMLAQKXFALHJH-UHFFFAOYSA-N 2 0 244.342 1.761 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H]2C[C@@H](O)C2)[C@@H](C)C1 ZINC000624218832 371407306 /nfs/dbraw/zinc/40/73/06/371407306.db2.gz CKMKAZWPJCMZFG-WUHRBBMRSA-N 2 0 226.364 1.077 20 0 BDADRP C[C@H](CC1CCC1)[NH2+]CCN1CC[C@H](O)C1 ZINC000624334779 371485449 /nfs/dbraw/zinc/48/54/49/371485449.db2.gz GRHLNNNRLVGJDH-YPMHNXCESA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H](CC1CCC1)[NH2+]CCN1CC[C@H](O)C1 ZINC000624334778 371485478 /nfs/dbraw/zinc/48/54/78/371485478.db2.gz GRHLNNNRLVGJDH-AAEUAGOBSA-N 2 0 226.364 1.221 20 0 BDADRP CSCCCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000229244639 372131864 /nfs/dbraw/zinc/13/18/64/372131864.db2.gz ZIYMFGMXFASHOI-LBPRGKRZSA-N 2 0 246.420 1.176 20 0 BDADRP C[C@@](C[NH3+])([NH2+]C[C@@H]1CCCCO1)C1CC1 ZINC000631823154 372600225 /nfs/dbraw/zinc/60/02/25/372600225.db2.gz XKTFYJCXFZYACF-RYUDHWBXSA-N 2 0 212.337 1.273 20 0 BDADRP C[C@H]1OCC[C@@H]1C[N@H+](C)C1CC[NH2+]CC1 ZINC000631821112 372595576 /nfs/dbraw/zinc/59/55/76/372595576.db2.gz PGQVHRMIVMVSBS-GHMZBOCLSA-N 2 0 212.337 1.095 20 0 BDADRP C[NH2+]CC1CC[NH+](Cc2nccnc2C)CC1 ZINC000631821739 372597053 /nfs/dbraw/zinc/59/70/53/372597053.db2.gz HVUJJGACSFTKOH-UHFFFAOYSA-N 2 0 234.347 1.216 20 0 BDADRP Cc1nccnc1CN1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000631828101 372609596 /nfs/dbraw/zinc/60/95/96/372609596.db2.gz FFRARBWAOFCEJZ-GVXVVHGQSA-N 2 0 248.374 1.590 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@H+](C)CC(C)(C)[NH3+] ZINC000631829272 372610456 /nfs/dbraw/zinc/61/04/56/372610456.db2.gz MJBWJGWBMNPGHR-UWVGGRQHSA-N 2 0 200.326 1.081 20 0 BDADRP C[C@@H]1OCC[C@H]1C[NH+]1CCC(CC[NH3+])CC1 ZINC000631829769 372613261 /nfs/dbraw/zinc/61/32/61/372613261.db2.gz ZGBJEOROSSRNDD-AAEUAGOBSA-N 2 0 226.364 1.472 20 0 BDADRP C[C@@H]1C[N@H+](CCc2ccccc2)C[C@H]1C[NH3+] ZINC000631836889 372625402 /nfs/dbraw/zinc/62/54/02/372625402.db2.gz IPJVBNVXVQCSHA-TZMCWYRMSA-N 2 0 218.344 1.756 20 0 BDADRP C[C@H]1C[N@H+](CCCc2ccncc2)C[C@H]1C[NH3+] ZINC000631837969 372628692 /nfs/dbraw/zinc/62/86/92/372628692.db2.gz HXFPEZKJRWTNGH-GXTWGEPZSA-N 2 0 233.359 1.541 20 0 BDADRP COCCCCC[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841181 372638463 /nfs/dbraw/zinc/63/84/63/372638463.db2.gz ZIAJAUWVGWSEIP-VXGBXAGGSA-N 2 0 214.353 1.330 20 0 BDADRP CCCCOCC[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631842241 372641282 /nfs/dbraw/zinc/64/12/82/372641282.db2.gz XKSLLMTXYADUND-VXGBXAGGSA-N 2 0 214.353 1.330 20 0 BDADRP Cc1noc(C)c1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631842645 372641699 /nfs/dbraw/zinc/64/16/99/372641699.db2.gz CZNASGPBJWVEIJ-LDYMZIIASA-N 2 0 223.320 1.318 20 0 BDADRP CCC1([NH+](C)C)CCN(C[C@H](C)[NH3+])CC1 ZINC000631866105 372666249 /nfs/dbraw/zinc/66/62/49/372666249.db2.gz UBGJZISRVDYVCV-NSHDSACASA-N 2 0 213.369 1.140 20 0 BDADRP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)CCO1 ZINC000414907941 205781910 /nfs/dbraw/zinc/78/19/10/205781910.db2.gz CBSTZZAREYVBND-RDBSUJKOSA-N 2 0 240.391 1.922 20 0 BDADRP Cc1n[nH]cc1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459735852 206014163 /nfs/dbraw/zinc/01/41/63/206014163.db2.gz PVUZFGKCWNAEMY-GFCCVEGCSA-N 2 0 236.363 1.540 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CC12CC2 ZINC000424328850 206037109 /nfs/dbraw/zinc/03/71/09/206037109.db2.gz RACFKRABAYWVRL-WISYIIOYSA-N 2 0 208.349 1.857 20 0 BDADRP OC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000129246998 183138051 /nfs/dbraw/zinc/13/80/51/183138051.db2.gz VXKZSECDCCJHMP-CABCVRRESA-N 2 0 248.370 1.322 20 0 BDADRP OC[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000129247468 183138292 /nfs/dbraw/zinc/13/82/92/183138292.db2.gz VXKZSECDCCJHMP-GJZGRUSLSA-N 2 0 248.370 1.322 20 0 BDADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CC)C1 ZINC000304707766 169079462 /nfs/dbraw/zinc/07/94/62/169079462.db2.gz LCOZQQKEEJOERJ-QWHCGFSZSA-N 2 0 228.380 1.421 20 0 BDADRP O[C@H](C[NH2+][C@H]1CCC12CCC2)C[NH+]1CCCC1 ZINC000337533449 183225467 /nfs/dbraw/zinc/22/54/67/183225467.db2.gz WJJCQCQQUROCLI-OLZOCXBDSA-N 2 0 238.375 1.365 20 0 BDADRP CCC[N@H+](CC)CCNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000226407528 169121545 /nfs/dbraw/zinc/12/15/45/169121545.db2.gz WDAMHGFTYJUXKB-LLVKDONJSA-N 2 0 243.395 1.208 20 0 BDADRP CCC[N@H+](CC)CCN[C@H]1CC[NH+](C)C[C@H]1C ZINC000361967422 169123351 /nfs/dbraw/zinc/12/33/51/169123351.db2.gz UCSIHKNYUFXXSP-KGLIPLIRSA-N 2 0 241.423 1.648 20 0 BDADRP CCC[N@H+](CCOCCOC)C1CC[NH2+]CC1 ZINC000070481614 169169246 /nfs/dbraw/zinc/16/92/46/169169246.db2.gz LGLHMFHCYDTJQJ-UHFFFAOYSA-N 2 0 244.379 1.113 20 0 BDADRP CCC[NH+]1CCC(NC2CC[NH2+]CC2)CC1 ZINC000038040761 169188175 /nfs/dbraw/zinc/18/81/75/169188175.db2.gz WPUOCVZKGOIDEL-UHFFFAOYSA-N 2 0 225.380 1.202 20 0 BDADRP CCC[NH+]1CCC([NH2+]CCCC[NH+](C)C)CC1 ZINC000045662963 169188531 /nfs/dbraw/zinc/18/85/31/169188531.db2.gz QLDDAIILVKHUNE-UHFFFAOYSA-N 3 0 241.423 1.792 20 0 BDADRP CCC[NH+]1CCC(NCC[N@H+](C)CC)CC1 ZINC000054109775 169188616 /nfs/dbraw/zinc/18/86/16/169188616.db2.gz UCUQAIMJDRNCGQ-UHFFFAOYSA-N 2 0 227.396 1.402 20 0 BDADRP CCC[NH+]1CCC([NH2+]CCCOC)CC1 ZINC000020142167 169188849 /nfs/dbraw/zinc/18/88/49/169188849.db2.gz XORGBNIVTNWABY-UHFFFAOYSA-N 2 0 214.353 1.487 20 0 BDADRP CCC[NH+]1CCC([NH2+]CCCCO)CC1 ZINC000043445689 169188895 /nfs/dbraw/zinc/18/88/95/169188895.db2.gz WHGZHDMZSVCESM-UHFFFAOYSA-N 2 0 214.353 1.223 20 0 BDADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCOC2(C)C)C1 ZINC000340205448 169206568 /nfs/dbraw/zinc/20/65/68/169206568.db2.gz XLRPLHCBTBMFGD-STQMWFEESA-N 2 0 240.391 1.875 20 0 BDADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C2CC(OC)C2)C1 ZINC000309983327 169207236 /nfs/dbraw/zinc/20/72/36/169207236.db2.gz XFXGAFFTVMEECU-HIFPTAJRSA-N 2 0 226.364 1.485 20 0 BDADRP c1cc(C[NH2+]CCCCC[NH+]2CCCC2)n[nH]1 ZINC000339498401 183349524 /nfs/dbraw/zinc/34/95/24/183349524.db2.gz RLWOVFSRFQQAAP-UHFFFAOYSA-N 2 0 236.363 1.765 20 0 BDADRP CCC[NH2+][C@@H](C)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000296576023 169274268 /nfs/dbraw/zinc/27/42/68/169274268.db2.gz WNDKJXMIYLMHFF-NSHDSACASA-N 2 0 249.358 1.733 20 0 BDADRP CCC[C@@H](C)C[NH2+]CCCN1CC[NH+](C)CC1 ZINC000020128525 169359327 /nfs/dbraw/zinc/35/93/27/169359327.db2.gz QQNXECMZLBFQJL-CQSZACIVSA-N 2 0 241.423 1.650 20 0 BDADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NCC[N@H+](C)CC ZINC000353758970 169399108 /nfs/dbraw/zinc/39/91/08/169399108.db2.gz LNQKYJILVJXPLS-GFCCVEGCSA-N 2 0 243.395 1.221 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN2C)CCO1 ZINC000223045188 134336414 /nfs/dbraw/zinc/33/64/14/134336414.db2.gz NIGBRHTVYCCCQE-UTUOFQBUSA-N 2 0 212.337 1.238 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@H]1CCSC1 ZINC000224403681 134346826 /nfs/dbraw/zinc/34/68/26/134346826.db2.gz MEFSSKRRKUVNOU-WDEREUQCSA-N 2 0 216.394 1.669 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000301010909 383843132 /nfs/dbraw/zinc/84/31/32/383843132.db2.gz XPLAAMRJRCCAAI-MNOVXSKESA-N 2 0 232.318 1.963 20 0 BDADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+]([C@H]1CCOC1)C2 ZINC000643611308 383929350 /nfs/dbraw/zinc/92/93/50/383929350.db2.gz JFOYBJKGKQLLBJ-QWHCGFSZSA-N 2 0 224.348 1.193 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000643541207 383882710 /nfs/dbraw/zinc/88/27/10/383882710.db2.gz RZVSZPDIODDBAU-SYQHCUMBSA-N 3 0 239.407 1.482 20 0 BDADRP CCC[C@@](C)(O)C[NH2+][C@@H](C)CCC[NH3+] ZINC000308656298 383883260 /nfs/dbraw/zinc/88/32/60/383883260.db2.gz NRIRXSRYPFKROI-WDEREUQCSA-N 2 0 202.342 1.255 20 0 BDADRP CC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)[C@@H](O)CC ZINC000313113648 383902647 /nfs/dbraw/zinc/90/26/47/383902647.db2.gz NXFAGOXNDCOFOF-KGLIPLIRSA-N 2 0 242.407 1.998 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546760 384016866 /nfs/dbraw/zinc/01/68/66/384016866.db2.gz UNQZLSVPRYLOEF-UPJWGTAASA-N 2 0 237.391 1.201 20 0 BDADRP CC[N@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000363656161 384025341 /nfs/dbraw/zinc/02/53/41/384025341.db2.gz JJYGOIXHYLDRCU-UHFFFAOYSA-N 2 0 226.364 1.582 20 0 BDADRP Cc1n[nH]cc1[C@@H](C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000643545528 384008223 /nfs/dbraw/zinc/00/82/23/384008223.db2.gz RPAMLOOEJIVNQL-SNVBAGLBSA-N 2 0 234.347 1.679 20 0 BDADRP CC[N@H+](C)CCNC(=O)c1ccc2nccn2c1 ZINC000069156297 384032221 /nfs/dbraw/zinc/03/22/21/384032221.db2.gz QUASWFYEWBFDCH-UHFFFAOYSA-N 2 0 246.314 1.016 20 0 BDADRP CCC[NH2+]CCNC(=O)[C@H]([NH3+])c1ccccc1C ZINC000449371101 384038644 /nfs/dbraw/zinc/03/86/44/384038644.db2.gz QGSHHBPAIDOSAH-CYBMUJFWSA-N 2 0 249.358 1.111 20 0 BDADRP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]CCc1cncn1C ZINC000530460170 384077762 /nfs/dbraw/zinc/07/77/62/384077762.db2.gz PFGLNGXLROXQRL-SMDDNHRTSA-N 3 0 248.374 1.035 20 0 BDADRP COCC1([NH2+]C[C@H]([NH3+])CC(C)C)CCCC1 ZINC000569473379 384098683 /nfs/dbraw/zinc/09/86/83/384098683.db2.gz YIBBKKDYXCOAKN-GFCCVEGCSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCOc2ccccc2)C1 ZINC000163205949 384164625 /nfs/dbraw/zinc/16/46/25/384164625.db2.gz UWJSIAYIXWCVSO-OLZOCXBDSA-N 2 0 234.343 1.735 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000133006675 384220495 /nfs/dbraw/zinc/22/04/95/384220495.db2.gz UVRNHJYLHGEEGJ-IJLUTSLNSA-N 2 0 214.353 1.341 20 0 BDADRP c1nc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)cs1 ZINC000082626957 384249745 /nfs/dbraw/zinc/24/97/45/384249745.db2.gz JVCBGPQUGYDYHY-JTQLQIEISA-N 2 0 225.361 1.622 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CN(C3CC3)C[C@H]2C)CO1 ZINC000566215655 384250620 /nfs/dbraw/zinc/25/06/20/384250620.db2.gz LEJRKJYOGCXYBJ-DCQANWLSSA-N 2 0 224.348 1.236 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cccnc3)C[C@H]21 ZINC000228471446 384253031 /nfs/dbraw/zinc/25/30/31/384253031.db2.gz PLVZZJICBWFQJI-MGPQQGTHSA-N 2 0 231.343 1.641 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CO[C@@H](C)C2)[C@H](C)C1 ZINC000566216248 384253727 /nfs/dbraw/zinc/25/37/27/384253727.db2.gz XDIOLUBRNQEHKK-VOAKCMCISA-N 2 0 226.364 1.484 20 0 BDADRP [NH3+]C[C@H]1C[N@H+](CC2CCCC2)CCCO1 ZINC000313348365 384276666 /nfs/dbraw/zinc/27/66/66/384276666.db2.gz SWYCFTFIHCXNTC-LBPRGKRZSA-N 2 0 212.337 1.226 20 0 BDADRP C[NH2+]C[C@@H](C)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000569576192 384281249 /nfs/dbraw/zinc/28/12/49/384281249.db2.gz HEPANHSUIQTIKX-SNVBAGLBSA-N 2 0 247.342 1.126 20 0 BDADRP CC[N@H+](C)C[C@@H]1CCN(Cc2nccn2C)C1 ZINC000173923708 384288762 /nfs/dbraw/zinc/28/87/62/384288762.db2.gz QQDZUMKMILCEOE-LBPRGKRZSA-N 2 0 236.363 1.194 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCOCC1CC1 ZINC000236261095 384299982 /nfs/dbraw/zinc/29/99/82/384299982.db2.gz BOEFZLJFFKRPEG-STQMWFEESA-N 2 0 226.364 1.520 20 0 BDADRP CC(C)[C@@H](O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000335571630 384335358 /nfs/dbraw/zinc/33/53/58/384335358.db2.gz QHHDVLIENWCSOO-STQMWFEESA-N 2 0 226.364 1.031 20 0 BDADRP Cc1nccn1CCC[NH2+][C@H]1CO[C@@H](C)C1 ZINC000647172751 384426110 /nfs/dbraw/zinc/42/61/10/384426110.db2.gz HQKQTGCIOBQZDN-CMPLNLGQSA-N 2 0 223.320 1.349 20 0 BDADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1cnn(C)c1 ZINC000045664329 384402548 /nfs/dbraw/zinc/40/25/48/384402548.db2.gz OOABRYUKQOHHFN-LLVKDONJSA-N 2 0 224.352 1.413 20 0 BDADRP Cc1nccn1CCC[NH2+][C@@H]1CO[C@H](C)C1 ZINC000647172753 384426840 /nfs/dbraw/zinc/42/68/40/384426840.db2.gz HQKQTGCIOBQZDN-PWSUYJOCSA-N 2 0 223.320 1.349 20 0 BDADRP CC(C)[C@H]1C[C@H]([NH2+]C2CC([NH+](C)C)C2)CCO1 ZINC000521369957 384424042 /nfs/dbraw/zinc/42/40/42/384424042.db2.gz JEVKKWYLERXGEI-BLYZHGLHSA-N 2 0 240.391 1.872 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000229600089 384384599 /nfs/dbraw/zinc/38/45/99/384384599.db2.gz GDZHSXZMRVPHJU-AGIUHOORSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@H](O)C[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000560870877 384390523 /nfs/dbraw/zinc/39/05/23/384390523.db2.gz RIFHEQDDPNSFFA-LBPRGKRZSA-N 2 0 214.353 1.079 20 0 BDADRP Cc1ccc(NC(=O)N(C)CCC[NH3+])c(C)n1 ZINC000560992183 384438260 /nfs/dbraw/zinc/43/82/60/384438260.db2.gz KLNHBOCQOOCHDC-UHFFFAOYSA-N 2 0 236.319 1.511 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)C[C@@H](C)[NH3+])cc1 ZINC000648146271 384473451 /nfs/dbraw/zinc/47/34/51/384473451.db2.gz ZHOZBHVQTUTJFK-SECBINFHSA-N 2 0 221.304 1.082 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)OC)[C@H](C)C1 ZINC000175729577 384483689 /nfs/dbraw/zinc/48/36/89/384483689.db2.gz JUFHUZQYTQMTHF-NEPJUHHUSA-N 2 0 242.363 1.212 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCCO2)[C@@H](C)C1 ZINC000449439362 384497691 /nfs/dbraw/zinc/49/76/91/384497691.db2.gz VEKWWMHJTALQDO-YNEHKIRRSA-N 2 0 226.364 1.485 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000161562941 384504346 /nfs/dbraw/zinc/50/43/46/384504346.db2.gz ZYIPPUXKDDEGAL-NWDGAFQWSA-N 2 0 228.380 1.872 20 0 BDADRP FC(F)O[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000647518632 384508647 /nfs/dbraw/zinc/50/86/47/384508647.db2.gz UPDWVASAMUMPSO-LLVKDONJSA-N 2 0 248.317 1.690 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(C)CCOCC1 ZINC000334420506 384492646 /nfs/dbraw/zinc/49/26/46/384492646.db2.gz SWVWDCPROUCGNW-CHWSQXEVSA-N 2 0 240.391 1.733 20 0 BDADRP CC[NH+](CC)[C@@H]1CCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000249985224 384529681 /nfs/dbraw/zinc/52/96/81/384529681.db2.gz SEGHXYLDUCQFTK-UONOGXRCSA-N 2 0 239.407 1.402 20 0 BDADRP COC(=O)[C@@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000141313254 384554636 /nfs/dbraw/zinc/55/46/36/384554636.db2.gz KBJSCEJLQUGMHA-LBPRGKRZSA-N 2 0 240.347 1.014 20 0 BDADRP CC(C)OCCCN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428033712 384559589 /nfs/dbraw/zinc/55/95/89/384559589.db2.gz MTYLXNOYOXAAEM-STQMWFEESA-N 2 0 226.364 1.485 20 0 BDADRP Cc1nnsc1CN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000309726446 384559796 /nfs/dbraw/zinc/55/97/96/384559796.db2.gz DFBIQUVJLWTMFE-WPRPVWTQSA-N 2 0 240.376 1.419 20 0 BDADRP CCN1C[C@H]([NH2+]C[C@H]2CCCC[C@@H]2O)[C@@H](C)C1 ZINC000449578363 384583693 /nfs/dbraw/zinc/58/36/93/384583693.db2.gz LAQQRFXBLLFFNY-CRWXNKLISA-N 2 0 240.391 1.467 20 0 BDADRP CCN1C[C@@H](C)[C@@H]([NH2+]C[C@H]2CCCC[C@@H]2O)C1 ZINC000449578364 384584454 /nfs/dbraw/zinc/58/44/54/384584454.db2.gz LAQQRFXBLLFFNY-MQYQWHSLSA-N 2 0 240.391 1.467 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000356705398 384653452 /nfs/dbraw/zinc/65/34/52/384653452.db2.gz WKWLVSPXICMERW-AGIUHOORSA-N 2 0 244.379 1.288 20 0 BDADRP CCC1(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)COC1 ZINC000309835246 384654540 /nfs/dbraw/zinc/65/45/40/384654540.db2.gz AYCXUZQNRRQXDM-NEPJUHHUSA-N 2 0 226.364 1.485 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000647537012 384656285 /nfs/dbraw/zinc/65/62/85/384656285.db2.gz AEVHZAQEVJXPFF-KBPBESRZSA-N 2 0 239.407 1.435 20 0 BDADRP CCOC(=O)CC[N@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000173525664 384690118 /nfs/dbraw/zinc/69/01/18/384690118.db2.gz QLYVITMIJBGUAO-VXGBXAGGSA-N 2 0 242.363 1.354 20 0 BDADRP COC[C@H](C)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000647542049 384702778 /nfs/dbraw/zinc/70/27/78/384702778.db2.gz KPHBBYDTGOEOMM-TZMCWYRMSA-N 2 0 240.391 1.590 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)C1 ZINC000449094431 384722832 /nfs/dbraw/zinc/72/28/32/384722832.db2.gz RXROJPXUDDMRNB-IGQOVBAYSA-N 2 0 240.391 1.874 20 0 BDADRP FCCC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000334994990 384774836 /nfs/dbraw/zinc/77/48/36/384774836.db2.gz XRDORZMUZNHBTL-NSHDSACASA-N 2 0 200.301 1.422 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC000647546905 384732503 /nfs/dbraw/zinc/73/25/03/384732503.db2.gz GYGBFICLFKDXOO-NWDGAFQWSA-N 3 0 213.369 1.093 20 0 BDADRP [NH3+]Cc1ccc(N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647547361 384737781 /nfs/dbraw/zinc/73/77/81/384737781.db2.gz TYHWXKFZFTUENS-UMVBOHGHSA-N 2 0 245.370 1.945 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000647547939 384751752 /nfs/dbraw/zinc/75/17/52/384751752.db2.gz MJEMUYZMCCPTAI-UHTWSYAYSA-N 2 0 225.380 1.092 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000647554106 384771255 /nfs/dbraw/zinc/77/12/55/384771255.db2.gz RAAARWDFPBFJLE-CHWSQXEVSA-N 2 0 239.407 1.624 20 0 BDADRP CC[N@H+](C)CCN[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000156125530 384815736 /nfs/dbraw/zinc/81/57/36/384815736.db2.gz HXGPRGUKLQDBHS-VXGBXAGGSA-N 2 0 213.369 1.010 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H]2CCSC2)C1 ZINC000300231969 384828020 /nfs/dbraw/zinc/82/80/20/384828020.db2.gz JIHRHXSBPQNBBY-VXGBXAGGSA-N 2 0 228.405 1.671 20 0 BDADRP C([C@H]1CCSC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000306818986 384835730 /nfs/dbraw/zinc/83/57/30/384835730.db2.gz FLEDFQYEVUNBOI-MXWKQRLJSA-N 2 0 212.362 1.033 20 0 BDADRP C[C@H]1C[NH+](CCCc2cncn2C)C[C@@H]1C ZINC000518212866 384800846 /nfs/dbraw/zinc/80/08/46/384800846.db2.gz QTUGBQMTFHLHOV-RYUDHWBXSA-N 2 0 221.348 1.941 20 0 BDADRP COCC1(C[NH2+][C@@H](C)C2CC2)CC[NH2+]CC1 ZINC000398089875 384801053 /nfs/dbraw/zinc/80/10/53/384801053.db2.gz VOONRNJKVKPFRK-NSHDSACASA-N 2 0 226.364 1.391 20 0 BDADRP C(C[C@H]1CCC[NH2+]1)[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000423363680 384843351 /nfs/dbraw/zinc/84/33/51/384843351.db2.gz UVWDXGNQIWFQFI-UPJWGTAASA-N 2 0 208.349 1.907 20 0 BDADRP CCC[NH+](CCC)CCC[NH2+][C@H](C)[C@H](C)O ZINC000644543965 384955298 /nfs/dbraw/zinc/95/52/98/384955298.db2.gz DSLJGZZMQDYFPS-OLZOCXBDSA-N 2 0 230.396 1.857 20 0 BDADRP C[C@@H]1[C@H](C(=O)Nc2cccc(C[NH3+])c2)CC[N@@H+]1C ZINC000647607191 384927647 /nfs/dbraw/zinc/92/76/47/384927647.db2.gz BGRSCAMPSCIEJO-ZWNOBZJWSA-N 2 0 247.342 1.424 20 0 BDADRP Cc1nc(CC[NH2+][C@@H]2CCC[C@H]2C[NH3+])cs1 ZINC000226324260 384979550 /nfs/dbraw/zinc/97/95/50/384979550.db2.gz GSEMUAPLLRXNKS-CMPLNLGQSA-N 2 0 239.388 1.711 20 0 BDADRP CC[C@H](O)C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000644606477 384999851 /nfs/dbraw/zinc/99/98/51/384999851.db2.gz CLXDSPTUHKTFHP-BPCQOVAHSA-N 2 0 228.380 1.467 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cc[nH]c2)C1 ZINC000086256446 385004611 /nfs/dbraw/zinc/00/46/11/385004611.db2.gz GGWUZEJPPSUIQH-QWHCGFSZSA-N 2 0 221.348 1.977 20 0 BDADRP CC[N@H+](CCNc1cc(C)ncn1)C1CC1 ZINC000226388682 385006810 /nfs/dbraw/zinc/00/68/10/385006810.db2.gz ZYVRHJOONAMVCH-UHFFFAOYSA-N 2 0 220.320 1.681 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)NCC[N@H+](CC)C1CC1 ZINC000226398178 385008856 /nfs/dbraw/zinc/00/88/56/385008856.db2.gz LPCNMDHMVCPNIL-CYBMUJFWSA-N 2 0 241.379 1.104 20 0 BDADRP CC[C@@H]1CN(Cc2ccns2)CC[C@@H]1[NH3+] ZINC000404490545 385019409 /nfs/dbraw/zinc/01/94/09/385019409.db2.gz IETAHXQVHQCYAU-KOLCDFICSA-N 2 0 225.361 1.702 20 0 BDADRP CC[C@H]([NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1)C(C)(C)O ZINC000340498666 385077101 /nfs/dbraw/zinc/07/71/01/385077101.db2.gz ABXWIBKFCCRSHT-WZRBSPASSA-N 2 0 240.391 1.751 20 0 BDADRP CC[C@H]([NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)C(C)(C)O ZINC000340498660 385077719 /nfs/dbraw/zinc/07/77/19/385077719.db2.gz ABXWIBKFCCRSHT-LOWVWBTDSA-N 2 0 240.391 1.751 20 0 BDADRP C(C[NH2+]C1CC1)C[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000423552366 385027739 /nfs/dbraw/zinc/02/77/39/385027739.db2.gz JSQRDBIZBGAGNW-CHWSQXEVSA-N 2 0 208.349 1.907 20 0 BDADRP C(C[NH2+]C1CC1)C[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000423552371 385028138 /nfs/dbraw/zinc/02/81/38/385028138.db2.gz JSQRDBIZBGAGNW-STQMWFEESA-N 2 0 208.349 1.907 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccco1 ZINC000086700505 385039057 /nfs/dbraw/zinc/03/90/57/385039057.db2.gz QMSHOABGYBFYSW-SNVBAGLBSA-N 2 0 208.305 1.930 20 0 BDADRP C[C@@H](O)C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000644631954 385044235 /nfs/dbraw/zinc/04/42/35/385044235.db2.gz HZHVRYNRCDWVFE-LLVKDONJSA-N 2 0 214.353 1.079 20 0 BDADRP CC(C)C[C@H]([NH3+])c1noc(C[C@H]2CC[NH2+]C2)n1 ZINC000647133011 385046917 /nfs/dbraw/zinc/04/69/17/385046917.db2.gz JMHOGMFEXYUTJP-ZJUUUORDSA-N 2 0 238.335 1.268 20 0 BDADRP CC[NH2+]CCCN[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000518753915 385108084 /nfs/dbraw/zinc/10/80/84/385108084.db2.gz WUYHYCBTCWGOLK-QWHCGFSZSA-N 2 0 227.396 1.306 20 0 BDADRP [NH3+]C1(c2noc([C@@H]3C[C@H]4C[C@H]4[NH2+]3)n2)CCCC1 ZINC000647137752 385109410 /nfs/dbraw/zinc/10/94/10/385109410.db2.gz PDZPNEGQKIGVOP-HLTSFMKQSA-N 2 0 234.303 1.221 20 0 BDADRP C[N@H+](CCOC[C@@H]1CCCO1)CC(C)(C)C[NH3+] ZINC000566246086 385130283 /nfs/dbraw/zinc/13/02/83/385130283.db2.gz DIUBPJPHZONGGM-LBPRGKRZSA-N 2 0 244.379 1.099 20 0 BDADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)C(C)(F)F ZINC000306559098 385086403 /nfs/dbraw/zinc/08/64/03/385086403.db2.gz QAMWKLQUBWKKRY-UEJVZZJDSA-N 2 0 206.280 1.890 20 0 BDADRP C[C@H](O)[C@H](C)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000644669253 385087456 /nfs/dbraw/zinc/08/74/56/385087456.db2.gz OJPWQOCIMXHOCR-SDDRHHMPSA-N 2 0 214.353 1.077 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cncs1 ZINC000131428295 385090427 /nfs/dbraw/zinc/09/04/27/385090427.db2.gz SWDVSIKVSCQOBH-GXSJLCMTSA-N 2 0 225.361 1.750 20 0 BDADRP CCCC[NH+]1CCC([NH2+][C@@H](C)CCC[NH3+])CC1 ZINC000310534514 385101180 /nfs/dbraw/zinc/10/11/80/385101180.db2.gz OWVKCJJAEFYEDL-ZDUSSCGKSA-N 2 0 241.423 1.968 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@H]1CCC[C@@H]1[NH3+] ZINC000422721406 385201586 /nfs/dbraw/zinc/20/15/86/385201586.db2.gz VHVQBAKZFMANTR-SRVKXCTJSA-N 2 0 213.369 1.186 20 0 BDADRP Cc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cn1 ZINC000310827660 385182940 /nfs/dbraw/zinc/18/29/40/385182940.db2.gz IMBQTZZBQJGDLV-GASCZTMLSA-N 2 0 245.370 1.821 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C[C@@]1(C)CCCO1 ZINC000227470109 385148211 /nfs/dbraw/zinc/14/82/11/385148211.db2.gz JGGKUTSNUJVREX-FRRDWIJNSA-N 2 0 226.364 1.676 20 0 BDADRP CCC[NH+]1CCC([NH2+]CC[C@@H](O)CC)CC1 ZINC000157364329 385150045 /nfs/dbraw/zinc/15/00/45/385150045.db2.gz ZQNBGOLXKIYLRF-ZDUSSCGKSA-N 2 0 228.380 1.611 20 0 BDADRP CCC[C@H](CCO)C[NH2+][C@H](C)CCC[NH3+] ZINC000308814362 385180832 /nfs/dbraw/zinc/18/08/32/385180832.db2.gz ICROGUOJQSDOJR-VXGBXAGGSA-N 2 0 216.369 1.502 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)N(C1CC1)C1CC[NH2+]CC1 ZINC000647482705 385213101 /nfs/dbraw/zinc/21/31/01/385213101.db2.gz ZLAGDXZLEOIZDP-GFCCVEGCSA-N 2 0 237.391 1.202 20 0 BDADRP CC[C@@H]([NH3+])CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000647069310 385215294 /nfs/dbraw/zinc/21/52/94/385215294.db2.gz NYXLFYSIXYBZGC-CYBMUJFWSA-N 2 0 249.358 1.215 20 0 BDADRP C[C@@H]([NH3+])CC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000647085191 385249150 /nfs/dbraw/zinc/24/91/50/385249150.db2.gz UOZQCKGVCJPVDZ-DGCLKSJQSA-N 2 0 249.358 1.320 20 0 BDADRP CCc1ccc(CC[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000422758991 385251741 /nfs/dbraw/zinc/25/17/41/385251741.db2.gz OQFYCFRHKMWQBR-GFCCVEGCSA-N 2 0 232.371 1.989 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]C1CCSCC1 ZINC000220690554 385264189 /nfs/dbraw/zinc/26/41/89/385264189.db2.gz DHNAFYYILJJUMF-KOLCDFICSA-N 2 0 214.378 1.599 20 0 BDADRP CN1CCC([NH2+]CCCC[NH+](C)C)CC1 ZINC000045662946 385272538 /nfs/dbraw/zinc/27/25/38/385272538.db2.gz WFUASLZJKQTEIX-UHFFFAOYSA-N 2 0 213.369 1.012 20 0 BDADRP CC[NH+](CC)CCC[N@H+](CC)CCCO ZINC000196210177 385274635 /nfs/dbraw/zinc/27/46/35/385274635.db2.gz VICGCWKTHQTUMP-UHFFFAOYSA-N 2 0 216.369 1.423 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)C[C@H]2CC[NH2+]C2)cc1 ZINC000189906940 385323096 /nfs/dbraw/zinc/32/30/96/385323096.db2.gz IYXBEAHMUNNSSR-WDEREUQCSA-N 2 0 247.342 1.644 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@H]2COC(C)(C)C2)CC1 ZINC000335358400 385346364 /nfs/dbraw/zinc/34/63/64/385346364.db2.gz OYFLQEYJXRAEQD-GFCCVEGCSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCCO ZINC000179149410 385369975 /nfs/dbraw/zinc/36/99/75/385369975.db2.gz FOFKWJUHVFXLEF-WOPDTQHZSA-N 2 0 214.353 1.077 20 0 BDADRP CN(CCC[NH3+])C(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000644066959 385414824 /nfs/dbraw/zinc/41/48/24/385414824.db2.gz YFRMSBFSUXOLTH-GFCCVEGCSA-N 2 0 241.379 1.091 20 0 BDADRP CC[C@@H]1CN(Cc2c[nH]nc2C)CC[C@@H]1[NH3+] ZINC000647498437 385419466 /nfs/dbraw/zinc/41/94/66/385419466.db2.gz HBYCHEXNADCWDL-PWSUYJOCSA-N 2 0 222.336 1.277 20 0 BDADRP CN(CC[NH3+])c1cc[nH+]c2ccccc21 ZINC000053663692 385461455 /nfs/dbraw/zinc/46/14/55/385461455.db2.gz QFHINLYTUODGQC-UHFFFAOYSA-N 2 0 201.273 1.630 20 0 BDADRP CC1(C)C[NH2+][C@@H]1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000644116223 385495728 /nfs/dbraw/zinc/49/57/28/385495728.db2.gz WCRXBIZTDYPWFM-LLVKDONJSA-N 2 0 233.315 1.082 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCN2C)C1(C)C ZINC000181580428 385558209 /nfs/dbraw/zinc/55/82/09/385558209.db2.gz PCXRGBKKXINXCP-XQQFMLRXSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000309397824 385562168 /nfs/dbraw/zinc/56/21/68/385562168.db2.gz TWUJXHJPUUPVPE-FRRDWIJNSA-N 2 0 228.380 1.645 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000336681944 385636350 /nfs/dbraw/zinc/63/63/50/385636350.db2.gz YHMHPZDAXPWGGR-WCQYABFASA-N 2 0 230.396 1.891 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)/C=C/c1ncc[nH]1 ZINC000493796011 385620267 /nfs/dbraw/zinc/62/02/67/385620267.db2.gz UZIFMDSFOGLNAD-MVIFTORASA-N 2 0 248.330 1.023 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1cccc2c[nH]nc21 ZINC000414849198 385624409 /nfs/dbraw/zinc/62/44/09/385624409.db2.gz XRHFXPWGRHNGKT-SNVBAGLBSA-N 2 0 232.331 1.508 20 0 BDADRP FCCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000336680076 385625925 /nfs/dbraw/zinc/62/59/25/385625925.db2.gz IUDCCRMJPNSTKJ-VXGBXAGGSA-N 2 0 214.328 1.953 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCCCCF)C1 ZINC000336681966 385636791 /nfs/dbraw/zinc/63/67/91/385636791.db2.gz HYFSCKLIHKJPIC-MNOVXSKESA-N 2 0 202.317 1.795 20 0 BDADRP CC(C)[C@H](CCO)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000336677711 385611820 /nfs/dbraw/zinc/61/18/20/385611820.db2.gz QGYAWMPBCJDWMX-OLZOCXBDSA-N 2 0 228.380 1.467 20 0 BDADRP c1n[nH]cc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000645198560 385612977 /nfs/dbraw/zinc/61/29/77/385612977.db2.gz UIFOIQKIFRUKLS-UHFFFAOYSA-N 2 0 236.363 1.765 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCCCCF)C1 ZINC000336681965 385636123 /nfs/dbraw/zinc/63/61/23/385636123.db2.gz HYFSCKLIHKJPIC-GHMZBOCLSA-N 2 0 202.317 1.795 20 0 BDADRP CN(CCC[NH+]1CCCC1)Cc1cncnc1 ZINC000281138872 385638052 /nfs/dbraw/zinc/63/80/52/385638052.db2.gz DOMHKENTJRWROO-UHFFFAOYSA-N 2 0 234.347 1.394 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+]CCC(C)(C)C(=O)OC ZINC000414855079 385698901 /nfs/dbraw/zinc/69/89/01/385698901.db2.gz WCFFQTRMCHRVDE-SNVBAGLBSA-N 2 0 230.352 1.021 20 0 BDADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@@H]1CCOC1 ZINC000309580874 385713464 /nfs/dbraw/zinc/71/34/64/385713464.db2.gz QIGUBWUTYQDRQN-WCQYABFASA-N 2 0 224.348 1.263 20 0 BDADRP C[C@@H](NC(=O)CCC(C)(C)[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000647718712 385668175 /nfs/dbraw/zinc/66/81/75/385668175.db2.gz GKQCUCJXAXKEPX-GHMZBOCLSA-N 2 0 241.379 1.008 20 0 BDADRP Oc1cc(F)cc(CNC[C@@H]2CCC[NH2+]C2)c1 ZINC000414851931 385669597 /nfs/dbraw/zinc/66/95/97/385669597.db2.gz JPLVPWJHXNAUSQ-SNVBAGLBSA-N 2 0 238.306 1.621 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)CN1CCCCC1 ZINC000336684508 385671613 /nfs/dbraw/zinc/67/16/13/385671613.db2.gz ZOECSSVFIQOQKJ-OLZOCXBDSA-N 2 0 227.396 1.578 20 0 BDADRP Cc1cncc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647793800 385731247 /nfs/dbraw/zinc/73/12/47/385731247.db2.gz IROBEXOSXCEWHP-RRFJBIMHSA-N 2 0 245.370 1.868 20 0 BDADRP CC(C)[C@@H]1CCC[N@@H+]1C[C@@H](O)CN(C)C1CC1 ZINC000336692302 385733499 /nfs/dbraw/zinc/73/34/99/385733499.db2.gz HTLSNIJTGRWRGB-KBPBESRZSA-N 2 0 240.391 1.562 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H](C)CCC(F)(F)F ZINC000414858795 385737148 /nfs/dbraw/zinc/73/71/48/385737148.db2.gz LLSXQIKWVPYPHY-QMMMGPOBSA-N 2 0 212.259 1.917 20 0 BDADRP CCCC[C@H](COC)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414860879 385742666 /nfs/dbraw/zinc/74/26/66/385742666.db2.gz WCPICYDQPSNBER-QWHCGFSZSA-N 2 0 228.380 1.781 20 0 BDADRP C/C=C/C[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647795698 385745793 /nfs/dbraw/zinc/74/57/93/385745793.db2.gz UGQDCFJGDIWZRB-MPRAVMHZSA-N 2 0 238.375 1.291 20 0 BDADRP C[C@@]1(CNCC2([NH3+])CCCCCC2)CC[NH2+]C1 ZINC000414861679 385753161 /nfs/dbraw/zinc/75/31/61/385753161.db2.gz SVAZJJZMRKORLS-CYBMUJFWSA-N 2 0 239.407 1.627 20 0 BDADRP CCN(CC[NH2+]CC[C@H]1CCOC1)C1CC1 ZINC000309632390 385760778 /nfs/dbraw/zinc/76/07/78/385760778.db2.gz IERSVISGZCPRBU-LBPRGKRZSA-N 2 0 226.364 1.487 20 0 BDADRP CC1(C)CCC[C@@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000414866183 385775595 /nfs/dbraw/zinc/77/55/95/385775595.db2.gz MIRHXSVWLAVHBO-LBPRGKRZSA-N 2 0 225.380 1.060 20 0 BDADRP C1=C(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC[NH2+]C1 ZINC000647799749 385803236 /nfs/dbraw/zinc/80/32/36/385803236.db2.gz PZLFHLPMSAQIPF-QLFBSQMISA-N 3 0 249.402 1.274 20 0 BDADRP C[C@H](CC1CCOCC1)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000414948159 385807441 /nfs/dbraw/zinc/80/74/41/385807441.db2.gz XUMPLQKEQJNHIP-OUCADQQQSA-N 2 0 240.391 1.779 20 0 BDADRP COc1cccc(C[NH2+]C2(C)CC[NH2+]CC2)c1 ZINC000414946590 385809794 /nfs/dbraw/zinc/80/97/94/385809794.db2.gz UDQHGVCQBHLSJF-UHFFFAOYSA-N 2 0 234.343 1.927 20 0 BDADRP C[N@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1CCSC1 ZINC000162653695 385826818 /nfs/dbraw/zinc/82/68/18/385826818.db2.gz YFDRDLDEPYSRBN-VXGBXAGGSA-N 2 0 228.405 1.908 20 0 BDADRP [NH3+]Cc1ccc(CN[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000647802614 385836238 /nfs/dbraw/zinc/83/62/38/385836238.db2.gz PVVNTJLEXPJOPL-CHWSQXEVSA-N 2 0 219.332 1.115 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+][C@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000414954462 385836911 /nfs/dbraw/zinc/83/69/11/385836911.db2.gz SOCSITFHXMAWHB-YIYPIFLZSA-N 2 0 240.391 1.922 20 0 BDADRP COC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228473252 385840230 /nfs/dbraw/zinc/84/02/30/385840230.db2.gz HBOCQKPTLQONLS-NNYUYHANSA-N 2 0 212.337 1.081 20 0 BDADRP C[C@H]([NH2+][C@H]1CCS[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000647804537 385840795 /nfs/dbraw/zinc/84/07/95/385840795.db2.gz TUILWTYLTGPIMF-NAKRPEOUSA-N 2 0 214.378 1.611 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CC1CCC(F)CC1 ZINC000647804396 385841508 /nfs/dbraw/zinc/84/15/08/385841508.db2.gz PNOHWECAJGOGRD-BPCQOVAHSA-N 2 0 246.370 1.858 20 0 BDADRP CC(C)(C)CC[NH2+]CC1CC[NH+](CCO)CC1 ZINC000112697837 385843183 /nfs/dbraw/zinc/84/31/83/385843183.db2.gz SJVKSXWHSJQPPZ-UHFFFAOYSA-N 2 0 242.407 1.717 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000414875162 385890953 /nfs/dbraw/zinc/89/09/53/385890953.db2.gz JJDUHJSWQVJXRC-JTQLQIEISA-N 2 0 224.352 1.323 20 0 BDADRP Cc1ccc2ncc(C[NH2+]C[C@H](C)C[NH3+])n2c1 ZINC000414875558 385892993 /nfs/dbraw/zinc/89/29/93/385892993.db2.gz JWCRGHRDKGLSIR-LLVKDONJSA-N 2 0 232.331 1.327 20 0 BDADRP Cc1ncc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)s1 ZINC000335037732 385929130 /nfs/dbraw/zinc/92/91/30/385929130.db2.gz FNVZXIIFYVURDX-JOYOIKCWSA-N 2 0 239.388 1.929 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]Cc1cc(F)cc(F)c1 ZINC000414876368 385907686 /nfs/dbraw/zinc/90/76/86/385907686.db2.gz LGZMXJSIGQLHNN-MRVPVSSYSA-N 2 0 214.259 1.649 20 0 BDADRP CC(C)Cn1cc(C[NH2+]C[C@H](C)C[NH3+])cn1 ZINC000414877324 385920558 /nfs/dbraw/zinc/92/05/58/385920558.db2.gz MKQGAEFIJXRJFR-LLVKDONJSA-N 2 0 224.352 1.224 20 0 BDADRP CCN(C)c1ccc(C[NH2+]C[C@@H](C)C[NH3+])cn1 ZINC000414877826 385926745 /nfs/dbraw/zinc/92/67/45/385926745.db2.gz NIDPNQWAZBLIIC-NSHDSACASA-N 2 0 236.363 1.222 20 0 BDADRP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@H]1CC[C@@H](C)O1 ZINC000308989641 385927247 /nfs/dbraw/zinc/92/72/47/385927247.db2.gz VOBYBMCPNLDTED-IJLUTSLNSA-N 2 0 214.353 1.517 20 0 BDADRP CC[N@H+](C)CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC000284309169 385861991 /nfs/dbraw/zinc/86/19/91/385861991.db2.gz JYLVVUKEAGGALH-UHFFFAOYSA-N 2 0 246.314 1.016 20 0 BDADRP [NH3+]C1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000647811372 385863908 /nfs/dbraw/zinc/86/39/08/385863908.db2.gz ZLNLXXJYLWGAED-UHFFFAOYSA-N 3 0 225.380 1.189 20 0 BDADRP C[N@H+](CCCC1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC000647818285 385870854 /nfs/dbraw/zinc/87/08/54/385870854.db2.gz IJFFVPQJTYVCAK-UHFFFAOYSA-N 3 0 239.407 1.450 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+]C[C@H]1CCSC1 ZINC000414959100 385872359 /nfs/dbraw/zinc/87/23/59/385872359.db2.gz PMTJBIZWGSPMGR-NXEZZACHSA-N 2 0 202.367 1.327 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647830556 385872969 /nfs/dbraw/zinc/87/29/69/385872969.db2.gz QSSDNOHBLUTFSM-CYBMUJFWSA-N 3 0 225.380 1.047 20 0 BDADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1N(C)C ZINC000414959596 385875629 /nfs/dbraw/zinc/87/56/29/385875629.db2.gz PXSIYMGZBPSQAC-JSGCOSHPSA-N 2 0 247.386 1.840 20 0 BDADRP CC(C)([NH3+])CCC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000647829274 385878213 /nfs/dbraw/zinc/87/82/13/385878213.db2.gz ZHQXILNPCIZTKC-QWRGUYRKSA-N 2 0 241.379 1.138 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2O)[C@@H]2CCC[C@@H]21 ZINC000414128212 385977348 /nfs/dbraw/zinc/97/73/48/385977348.db2.gz RUFCAFJZHJSFOI-PDWCTOEPSA-N 2 0 238.375 1.362 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)[C@@H]1C[C@H]1C ZINC000414132659 385982622 /nfs/dbraw/zinc/98/26/22/385982622.db2.gz ZLSCLIZMKCBZGG-YRGRVCCFSA-N 2 0 240.391 1.325 20 0 BDADRP C1CC1[C@H]1CCC[C@H]([NH2+][C@H]2CC[NH2+]C2)C1 ZINC000414881379 385990859 /nfs/dbraw/zinc/99/08/59/385990859.db2.gz KYOBMOLBSDIICD-AVGNSLFASA-N 2 0 208.349 1.907 20 0 BDADRP C1CC1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[NH2+]C2)C1 ZINC000414881382 385992249 /nfs/dbraw/zinc/99/22/49/385992249.db2.gz KYOBMOLBSDIICD-FRRDWIJNSA-N 2 0 208.349 1.907 20 0 BDADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000335039235 385931124 /nfs/dbraw/zinc/93/11/24/385931124.db2.gz AZTOYETYAUMFFJ-ZIAGYGMSSA-N 3 0 237.391 1.498 20 0 BDADRP Cc1ccc(F)cc1C[NH2+]C[C@@H](C)C[NH3+] ZINC000414878177 385932963 /nfs/dbraw/zinc/93/29/63/385932963.db2.gz NZROJUGTCTYGFQ-VIFPVBQESA-N 2 0 210.296 1.819 20 0 BDADRP COCC1(C[NH2+]CCC[NH+](C)C)CCC1 ZINC000309012865 385937272 /nfs/dbraw/zinc/93/72/72/385937272.db2.gz XZQXCIJOULBEHY-UHFFFAOYSA-N 2 0 214.353 1.344 20 0 BDADRP C[C@H](C[NH2+][C@H](C)[C@H]1C[C@H]1C)N1CC[NH+](C)CC1 ZINC000414082121 385952213 /nfs/dbraw/zinc/95/22/13/385952213.db2.gz FKLUWPPMLMVCIU-SYQHCUMBSA-N 2 0 239.407 1.256 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]Cc1ccc2ncccc2c1 ZINC000414879484 385952248 /nfs/dbraw/zinc/95/22/48/385952248.db2.gz PNEVQIVITGXXIT-NSHDSACASA-N 2 0 229.327 1.919 20 0 BDADRP Cc1ccn2c(C[NH2+][C@H](C)CC[NH3+])cnc2c1 ZINC000414881219 385993685 /nfs/dbraw/zinc/99/36/85/385993685.db2.gz KSPHNXPINXTGRA-LLVKDONJSA-N 2 0 232.331 1.470 20 0 BDADRP C[C@H](CC[NH3+])NCc1nc2ccccc2n1C ZINC000414879890 385953457 /nfs/dbraw/zinc/95/34/57/385953457.db2.gz JCZYMKSABXHBMA-SNVBAGLBSA-N 2 0 232.331 1.400 20 0 BDADRP Cc1nn(C)cc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000128258841 385967206 /nfs/dbraw/zinc/96/72/06/385967206.db2.gz JYCVTVSQGIAMRJ-LBPRGKRZSA-N 2 0 236.363 1.289 20 0 BDADRP Cc1cc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)ccn1 ZINC000335012646 385968655 /nfs/dbraw/zinc/96/86/55/385968655.db2.gz RBVXEMNPWQFDRX-SMDDNHRTSA-N 2 0 233.359 1.868 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2([NH3+])CCCCC2)CCO1 ZINC000335012508 385969517 /nfs/dbraw/zinc/96/95/17/385969517.db2.gz ZFOFOYPWZWACOM-VXGBXAGGSA-N 2 0 226.364 1.805 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000414178281 386019029 /nfs/dbraw/zinc/01/90/29/386019029.db2.gz JEIPNKXHTUSMEC-WDEREUQCSA-N 2 0 233.315 1.847 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCOC2(C)C)C1 ZINC000414188407 386027494 /nfs/dbraw/zinc/02/74/94/386027494.db2.gz QFLTYORVAOBDQN-OLZOCXBDSA-N 2 0 240.391 1.875 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)CCOC)[C@@H](C)C1 ZINC000414192875 386032222 /nfs/dbraw/zinc/03/22/22/386032222.db2.gz HVIXDMZCTMQPJR-IHRRRGAJSA-N 2 0 242.407 1.979 20 0 BDADRP CC(C)[C@H]1C[N@H+](CCC2CC[NH2+]CC2)CCN1 ZINC000647929130 386032316 /nfs/dbraw/zinc/03/23/16/386032316.db2.gz MFMVSMGECQVDAH-CQSZACIVSA-N 2 0 239.407 1.306 20 0 BDADRP C[N@H+](CCCn1ccnc1)[C@@H]1CCC[C@H]1O ZINC000286403329 386034270 /nfs/dbraw/zinc/03/42/70/386034270.db2.gz HNFPYEBOZGDWPF-VXGBXAGGSA-N 2 0 223.320 1.118 20 0 BDADRP CC(C)[C@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CCN1 ZINC000647929244 386036271 /nfs/dbraw/zinc/03/62/71/386036271.db2.gz VDNCNRXDYYOXFO-ZIAGYGMSSA-N 2 0 239.407 1.306 20 0 BDADRP Cc1cc(N2CCC[C@H]3C[N@@H+](C)C[C@H]32)cc[nH+]1 ZINC000335079007 386051534 /nfs/dbraw/zinc/05/15/34/386051534.db2.gz PXYKDFRXGZZJFV-GXTWGEPZSA-N 2 0 231.343 1.920 20 0 BDADRP Cc1cc(C[NH+](C)C)cc(NC(=O)CC[NH3+])c1 ZINC000295572060 386052636 /nfs/dbraw/zinc/05/26/36/386052636.db2.gz DCHDSYSTPVYMMK-UHFFFAOYSA-N 2 0 235.331 1.344 20 0 BDADRP Cc1cc(CN(C)CC[C@H]([NH3+])C(C)C)nn1C ZINC000414664819 386109702 /nfs/dbraw/zinc/10/97/02/386109702.db2.gz UCNZQCVYSAMRJQ-ZDUSSCGKSA-N 2 0 238.379 1.534 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CCC([C@@H](C)[NH3+])CC1 ZINC000414665792 386116880 /nfs/dbraw/zinc/11/68/80/386116880.db2.gz FSXVTXWWVQQYBO-YPMHNXCESA-N 2 0 227.396 1.419 20 0 BDADRP CCCC[N@H+](CCO)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414666175 386119089 /nfs/dbraw/zinc/11/90/89/386119089.db2.gz FWXYHRVGHBGOGE-QWHCGFSZSA-N 2 0 228.380 1.469 20 0 BDADRP Cc1ccc(C[N@H+](C)CCOCC[NH3+])c(C)c1 ZINC000647873381 386119781 /nfs/dbraw/zinc/11/97/81/386119781.db2.gz CGPSPMGKPRYCAN-UHFFFAOYSA-N 2 0 236.359 1.711 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000365384065 386071852 /nfs/dbraw/zinc/07/18/52/386071852.db2.gz JNAJBRNAHHZNOH-KBPBESRZSA-N 2 0 240.391 1.875 20 0 BDADRP [NH3+]CC1(C[NH2+]Cc2ccc3c(c2)CCCN3)CC1 ZINC000414983340 386078573 /nfs/dbraw/zinc/07/85/73/386078573.db2.gz TUEMEJGKJRUTSB-UHFFFAOYSA-N 2 0 245.370 1.873 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1)C1CC1 ZINC000425449768 386081820 /nfs/dbraw/zinc/08/18/20/386081820.db2.gz TZWMMFVCSJFROB-KGLIPLIRSA-N 2 0 238.375 1.439 20 0 BDADRP C[C@H](CCC(F)(F)F)[NH2+]C[C@@H](C)C[NH3+] ZINC000414887140 386083439 /nfs/dbraw/zinc/08/34/39/386083439.db2.gz YUJUUSVRYAGYHU-JGVFFNPUSA-N 2 0 212.259 1.902 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CC[NH2+]CC2(C)C)CC[NH2+]1 ZINC000414983446 386083957 /nfs/dbraw/zinc/08/39/57/386083957.db2.gz ZQVHSSDJXAKEJU-FRRDWIJNSA-N 3 0 239.407 1.352 20 0 BDADRP C[C@@H]1C[C@H](CN(C2CC2)[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000414659977 386092079 /nfs/dbraw/zinc/09/20/79/386092079.db2.gz NTGRTBWMIPLMKE-YRGRVCCFSA-N 2 0 237.391 1.201 20 0 BDADRP Cc1cc(C)n2c(C[NH2+][C@H](C)CC[NH3+])cnc2n1 ZINC000414887592 386092487 /nfs/dbraw/zinc/09/24/87/386092487.db2.gz QSVDJQZEUYJKNF-SECBINFHSA-N 2 0 247.346 1.173 20 0 BDADRP Cc1n[nH]cc1C[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000334453714 386099448 /nfs/dbraw/zinc/09/94/48/386099448.db2.gz UIAWJPJEROUDGL-SNVBAGLBSA-N 2 0 231.303 1.088 20 0 BDADRP C[C@]1(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)CC[NH2+]C1 ZINC000414991920 386152081 /nfs/dbraw/zinc/15/20/81/386152081.db2.gz BHUXBEIBBZRXDK-AGIUHOORSA-N 3 0 225.380 1.093 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000414677162 386152518 /nfs/dbraw/zinc/15/25/18/386152518.db2.gz WHEPAYPGHICTJY-ZDEQEGDKSA-N 2 0 225.380 1.029 20 0 BDADRP Cc1c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cnn1C ZINC000130598059 386177619 /nfs/dbraw/zinc/17/76/19/386177619.db2.gz JTXDQJSPTCCSSA-YUTCNCBUSA-N 2 0 248.374 1.288 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCN(C)CC[C@H]2C)CC[NH2+]1 ZINC000414693255 386189414 /nfs/dbraw/zinc/18/94/14/386189414.db2.gz MKAIWLDIYXCABY-MGPQQGTHSA-N 2 0 239.407 1.401 20 0 BDADRP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000414700242 386205429 /nfs/dbraw/zinc/20/54/29/386205429.db2.gz FXFBNDIYLHSFOG-QWHCGFSZSA-N 2 0 226.364 1.472 20 0 BDADRP [NH3+][C@@H](CNCc1cccc2c1OCO2)C1CC1 ZINC000414897909 386217773 /nfs/dbraw/zinc/21/77/73/386217773.db2.gz SIBUUXHMAMLQPA-NSHDSACASA-N 2 0 234.299 1.242 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+]C(C)(C)CCO)CC[NH2+]1 ZINC000414706363 386219448 /nfs/dbraw/zinc/21/94/48/386219448.db2.gz LRIDDNWPFGAJDA-GHMZBOCLSA-N 2 0 214.353 1.125 20 0 BDADRP [NH3+]CCCC[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000414897765 386222508 /nfs/dbraw/zinc/22/25/08/386222508.db2.gz CMVLQSJPPQXBRR-UHFFFAOYSA-N 2 0 248.374 1.510 20 0 BDADRP [NH3+]CCC[N@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000414709659 386225426 /nfs/dbraw/zinc/22/54/26/386225426.db2.gz PBSCGPIZMNCESO-HNNXBMFYSA-N 2 0 248.370 1.669 20 0 BDADRP Cc1cnccc1CC[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000339059582 386229611 /nfs/dbraw/zinc/22/96/11/386229611.db2.gz VRSFFHOKODCJQD-JSGCOSHPSA-N 2 0 233.359 1.472 20 0 BDADRP CCC[C@](C)(CO)[NH2+]C[C@@H]([NH3+])CC(C)C ZINC000414713201 386230910 /nfs/dbraw/zinc/23/09/10/386230910.db2.gz TYFVYYPLPMWDJU-NWDGAFQWSA-N 2 0 216.369 1.501 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000347112724 386231540 /nfs/dbraw/zinc/23/15/40/386231540.db2.gz RRAKFUFSLRCTLW-GFCCVEGCSA-N 2 0 244.342 1.604 20 0 BDADRP C[C@H](NC(=O)C(C)(C)C[NH3+])C(C)(C)C[NH+](C)C ZINC000237538479 259683531 /nfs/dbraw/zinc/68/35/31/259683531.db2.gz CBODCZIAZPOKDD-JTQLQIEISA-N 2 0 243.395 1.064 20 0 BDADRP CO[C@@H]1[C@@H](C)[C@H]([NH2+]CCCC[NH3+])C12CCC2 ZINC000414898853 386234230 /nfs/dbraw/zinc/23/42/30/386234230.db2.gz FDWAQRFEKDPROW-SDDRHHMPSA-N 2 0 226.364 1.519 20 0 BDADRP CC[C@@](C)(CCO)[NH2+]C[C@@H]([NH3+])CC(C)C ZINC000414713858 386234796 /nfs/dbraw/zinc/23/47/96/386234796.db2.gz URYJMQRIXBKVSB-RYUDHWBXSA-N 2 0 216.369 1.501 20 0 BDADRP CCn1cc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000415002688 386241625 /nfs/dbraw/zinc/24/16/25/386241625.db2.gz WFBJCRSFGDRSSS-AAEUAGOBSA-N 2 0 236.363 1.510 20 0 BDADRP C[C@H](C[NH3+])N(C)Cc1c[nH]nc1-c1ccccc1 ZINC000347091720 386245146 /nfs/dbraw/zinc/24/51/46/386245146.db2.gz GBQBJPGDMLBNPG-LLVKDONJSA-N 2 0 244.342 1.856 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C1 ZINC000336645578 386252208 /nfs/dbraw/zinc/25/22/08/386252208.db2.gz IEBHWVHKIMWCST-RYUDHWBXSA-N 2 0 212.337 1.049 20 0 BDADRP CC(C)C[C@H]([NH3+])CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000414696387 386196889 /nfs/dbraw/zinc/19/68/89/386196889.db2.gz HKQVSHASELNUAL-MELADBBJSA-N 2 0 241.423 1.774 20 0 BDADRP CC(C)C[C@H]([NH3+])CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000414696386 386197395 /nfs/dbraw/zinc/19/73/95/386197395.db2.gz HKQVSHASELNUAL-IHRRRGAJSA-N 2 0 241.423 1.774 20 0 BDADRP CC[N@@H+]1C[C@H](C)N(C[C@@H]([NH3+])CC(C)C)C[C@@H]1C ZINC000414733954 386299051 /nfs/dbraw/zinc/29/90/51/386299051.db2.gz FJQZGHOELFOTIR-IHRRRGAJSA-N 2 0 241.423 1.774 20 0 BDADRP FCCCCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000308452455 386304875 /nfs/dbraw/zinc/30/48/75/386304875.db2.gz CRYZBEVTHKMDRK-GHMZBOCLSA-N 2 0 200.301 1.277 20 0 BDADRP C[NH+](C)[C@H]1CCCN(CC[NH2+]C(C)(C)C)CC1 ZINC000414736907 386305398 /nfs/dbraw/zinc/30/53/98/386305398.db2.gz HYSVKHALSDLGKR-ZDUSSCGKSA-N 2 0 241.423 1.791 20 0 BDADRP Cc1ccc(O)c(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000091996159 386318605 /nfs/dbraw/zinc/31/86/05/386318605.db2.gz YOQVYSIBRKWZDV-VXGBXAGGSA-N 2 0 249.358 1.655 20 0 BDADRP CC[C@H](COC)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000336731570 386323867 /nfs/dbraw/zinc/32/38/67/386323867.db2.gz KUQHIPKERJKCKP-GFCCVEGCSA-N 2 0 212.337 1.263 20 0 BDADRP COC1CCC([N@H+](C)C[C@@H]2CC[NH2+]C2)CC1 ZINC000647885673 386277525 /nfs/dbraw/zinc/27/75/25/386277525.db2.gz CUQJJLSUBOHVEW-PNESKVBLSA-N 2 0 226.364 1.485 20 0 BDADRP CC[NH+](CC)C[C@H]1CC[N@H+](CC[C@H](C)O)C1 ZINC000336661825 386278283 /nfs/dbraw/zinc/27/82/83/386278283.db2.gz CGDXQDQZKPBSQT-QWHCGFSZSA-N 2 0 228.380 1.421 20 0 BDADRP CC[NH+](CC)C[C@H]1CC[N@H+](CC[C@@H](C)O)C1 ZINC000336661822 386279761 /nfs/dbraw/zinc/27/97/61/386279761.db2.gz CGDXQDQZKPBSQT-CHWSQXEVSA-N 2 0 228.380 1.421 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000414744856 386341140 /nfs/dbraw/zinc/34/11/40/386341140.db2.gz QHKWDNZGWMOVIU-KGLIPLIRSA-N 2 0 241.423 1.632 20 0 BDADRP C[C@@H](CC1CC1)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000336731949 386351257 /nfs/dbraw/zinc/35/12/57/386351257.db2.gz FNGAQHVMUGRLPP-NSHDSACASA-N 2 0 226.364 1.221 20 0 BDADRP C([NH2+][C@H]1CCCC[NH2+]C1)[C@H]1CCSC1 ZINC000335271788 386360386 /nfs/dbraw/zinc/36/03/86/386360386.db2.gz VHJGGEMHLHSJPR-MNOVXSKESA-N 2 0 214.378 1.471 20 0 BDADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCC[NH2+]C1 ZINC000414905398 386362221 /nfs/dbraw/zinc/36/22/21/386362221.db2.gz OFEVZYVUOCBSPI-IHRRRGAJSA-N 2 0 239.407 1.639 20 0 BDADRP Cc1noc(C)c1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000092329360 386362477 /nfs/dbraw/zinc/36/24/77/386362477.db2.gz WBWRRLZIIKRHGT-DGCLKSJQSA-N 2 0 237.347 1.899 20 0 BDADRP CC[C@]1(C)COCC[N@@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414748602 386363397 /nfs/dbraw/zinc/36/33/97/386363397.db2.gz WWCPMOMKRHWRFU-BFHYXJOUSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)[C@H]1C[C@H]([NH2+]CC[C@H]2CCC[NH2+]2)CCO1 ZINC000414906075 386370594 /nfs/dbraw/zinc/37/05/94/386370594.db2.gz ORGVJECSXZIUGP-MGPQQGTHSA-N 2 0 240.391 1.922 20 0 BDADRP CCn1nccc1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415008038 386371616 /nfs/dbraw/zinc/37/16/16/386371616.db2.gz MDSWCCSVSVDMQU-UONOGXRCSA-N 2 0 248.374 1.381 20 0 BDADRP CC(C)[C@@H](O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000336695345 386374155 /nfs/dbraw/zinc/37/41/55/386374155.db2.gz IPMNEQDFSHCNHH-AWEZNQCLSA-N 2 0 242.407 1.667 20 0 BDADRP C[C@@H]1CCNC[C@@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000414906817 386374335 /nfs/dbraw/zinc/37/43/35/386374335.db2.gz AJOUDCROCBDLFR-UTUOFQBUSA-N 2 0 212.337 1.001 20 0 BDADRP CO[C@]1(C)C[C@@H]([N@H+](C)C[C@@H]2CC[NH2+]C2)C1(C)C ZINC000647890708 386381997 /nfs/dbraw/zinc/38/19/97/386381997.db2.gz HVSCLYQPKLDMRQ-YRGRVCCFSA-N 2 0 240.391 1.731 20 0 BDADRP CC1(C)CC([NH2+]CC2CC[NH+](CCO)CC2)C1 ZINC000347393792 386382753 /nfs/dbraw/zinc/38/27/53/386382753.db2.gz WFKDBAKRWKXXRI-UHFFFAOYSA-N 2 0 240.391 1.469 20 0 BDADRP CC[C@H]([NH3+])C(=O)Nc1ccc(C)cc1C[NH+](C)C ZINC000236952572 386330517 /nfs/dbraw/zinc/33/05/17/386330517.db2.gz VFGMZMJQBMKKSL-LBPRGKRZSA-N 2 0 249.358 1.732 20 0 BDADRP C[C@H](C[N@H+](C)C[C@@H]1CC[NH2+]C1)c1nccs1 ZINC000647989102 386335098 /nfs/dbraw/zinc/33/50/98/386335098.db2.gz IVNKFKWJFIOCSD-GHMZBOCLSA-N 2 0 239.388 1.788 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]21 ZINC000230049031 386336840 /nfs/dbraw/zinc/33/68/40/386336840.db2.gz IOIASFWPGKIWHX-KWCYVHTRSA-N 2 0 231.343 1.641 20 0 BDADRP C[C@@H](C[N@H+](C)C[C@H]1CC[NH2+]C1)c1nccs1 ZINC000647989104 386337192 /nfs/dbraw/zinc/33/71/92/386337192.db2.gz IVNKFKWJFIOCSD-QWRGUYRKSA-N 2 0 239.388 1.788 20 0 BDADRP C[C@@H](O)CCC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000336681458 386337667 /nfs/dbraw/zinc/33/76/67/386337667.db2.gz DSBQANXYHWMJLU-KGLIPLIRSA-N 2 0 242.407 1.954 20 0 BDADRP C([C@@H]1CC[N@@H+](C[C@@H]2CCOC2)C1)[NH+]1CCCC1 ZINC000336722199 386447720 /nfs/dbraw/zinc/44/77/20/386447720.db2.gz ZTTVDCFPLLNWOU-KBPBESRZSA-N 2 0 238.375 1.441 20 0 BDADRP CC(C)[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000335279077 386392226 /nfs/dbraw/zinc/39/22/26/386392226.db2.gz PHAXTSQUVVXXST-UHFFFAOYSA-N 2 0 234.347 1.532 20 0 BDADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCCCO)C1 ZINC000336704640 386392899 /nfs/dbraw/zinc/39/28/99/386392899.db2.gz NFZJCABDVDFLKA-AWEZNQCLSA-N 2 0 240.391 1.423 20 0 BDADRP C[C@H]1CC2(C[N@@H+]1C[C@H]1CCOC1)CC[NH2+]CC2 ZINC000335280006 386393876 /nfs/dbraw/zinc/39/38/76/386393876.db2.gz QHMNPXVQUSLDQS-QWHCGFSZSA-N 2 0 238.375 1.487 20 0 BDADRP CC[NH+](CC)CC1CC[NH+](CC[C@H](C)O)CC1 ZINC000336706303 386398405 /nfs/dbraw/zinc/39/84/05/386398405.db2.gz FWBFLCCGVFRTBY-ZDUSSCGKSA-N 2 0 242.407 1.811 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](OC)C(C)C)[C@@H](C)C1 ZINC000347436855 386401125 /nfs/dbraw/zinc/40/11/25/386401125.db2.gz XDBAKSAUJIYMER-MELADBBJSA-N 2 0 242.407 1.977 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C[C@@H]1O ZINC000414757892 386405415 /nfs/dbraw/zinc/40/54/15/386405415.db2.gz LXUYXGOCNIVZQT-LOWDOPEQSA-N 2 0 226.364 1.077 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000414760163 386414213 /nfs/dbraw/zinc/41/42/13/386414213.db2.gz GLWHNIOBLBIJGR-WOPDTQHZSA-N 2 0 213.369 1.042 20 0 BDADRP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000414760445 386415504 /nfs/dbraw/zinc/41/55/04/386415504.db2.gz GXMKFEIRTYQFKD-ZDUSSCGKSA-N 3 0 239.407 1.435 20 0 BDADRP C[NH+](C)CC1CC[NH+](CCn2cccn2)CC1 ZINC000336709066 386417820 /nfs/dbraw/zinc/41/78/20/386417820.db2.gz PQZUERARBUIUPW-UHFFFAOYSA-N 2 0 236.363 1.157 20 0 BDADRP C[C@H](O)CCC[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339427791 386421789 /nfs/dbraw/zinc/42/17/89/386421789.db2.gz BOZFJUJYPPSTQH-UONOGXRCSA-N 2 0 240.391 1.565 20 0 BDADRP C[C@@H](O)CCC[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339427792 386422541 /nfs/dbraw/zinc/42/25/41/386422541.db2.gz BOZFJUJYPPSTQH-ZIAGYGMSSA-N 2 0 240.391 1.565 20 0 BDADRP C[C@@H]1CCN(C[C@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000414774602 386469176 /nfs/dbraw/zinc/46/91/76/386469176.db2.gz YOQSTCXCVRSECF-FRRDWIJNSA-N 2 0 225.380 1.045 20 0 BDADRP Cc1ccc(C[NH+]2CCC(O)(C[NH3+])CC2)cc1 ZINC000059161758 386470995 /nfs/dbraw/zinc/47/09/95/386470995.db2.gz VMTLIJJZPGDTME-UHFFFAOYSA-N 2 0 234.343 1.281 20 0 BDADRP CCn1cc(C[NH2+][C@@H](C)CCCC[NH3+])cn1 ZINC000415010651 386471498 /nfs/dbraw/zinc/47/14/98/386471498.db2.gz GOGJBMXVEKAOHX-NSHDSACASA-N 2 0 224.352 1.510 20 0 BDADRP CC[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000335366007 386478076 /nfs/dbraw/zinc/47/80/76/386478076.db2.gz NNSYMLQBZSJWHL-LBPRGKRZSA-N 2 0 225.380 1.107 20 0 BDADRP COC[C@H](CC(C)C)[NH2+]C1CC[NH2+]CC1 ZINC000414778415 386488013 /nfs/dbraw/zinc/48/80/13/386488013.db2.gz IBXUEFLJIQHXRX-LBPRGKRZSA-N 2 0 214.353 1.389 20 0 BDADRP Cc1cccn2c(C[NH2+][C@@H](C)CCC[NH3+])cnc12 ZINC000415018627 386503990 /nfs/dbraw/zinc/50/39/90/386503990.db2.gz HFQYKRXJJTVHHJ-LBPRGKRZSA-N 3 0 246.358 1.860 20 0 BDADRP CCCc1csc(CN[C@H](C)[C@H](C)[NH3+])n1 ZINC000415016741 386504068 /nfs/dbraw/zinc/50/40/68/386504068.db2.gz OQLJPMLDOMZIAZ-DTWKUNHWSA-N 2 0 227.377 1.921 20 0 BDADRP CC(C)n1nccc1C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415050320 386505700 /nfs/dbraw/zinc/50/57/00/386505700.db2.gz YMFZLMOBDQFSOL-NEPJUHHUSA-N 2 0 236.363 1.681 20 0 BDADRP COC(=O)c1ccc(C[NH2+][C@@H](C)CCC[NH3+])o1 ZINC000415020256 386508413 /nfs/dbraw/zinc/50/84/13/386508413.db2.gz JLNGVGPJNKEZGW-VIFPVBQESA-N 2 0 240.303 1.283 20 0 BDADRP COc1ccsc1C[NH2+][C@@H](C)CCC[NH3+] ZINC000415025912 386513533 /nfs/dbraw/zinc/51/35/33/386513533.db2.gz SBBVUBPGSXNDOA-VIFPVBQESA-N 2 0 228.361 1.974 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CC[NH2+]C(C)(C)C ZINC000415026609 386516687 /nfs/dbraw/zinc/51/66/87/386516687.db2.gz UYWXLJGSCXSLCB-SNVBAGLBSA-N 2 0 201.358 1.092 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)[C@@H](C)C1 ZINC000415029179 386517104 /nfs/dbraw/zinc/51/71/04/386517104.db2.gz DMGFGSBGALVZHW-DGAVXFQQSA-N 3 0 239.407 1.434 20 0 BDADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H]2CCCNC2)CC1 ZINC000415027765 386517440 /nfs/dbraw/zinc/51/74/40/386517440.db2.gz WWDUUCUPBNIKMP-AVGNSLFASA-N 2 0 225.380 1.093 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CC[C@H]1CCOC1 ZINC000415042991 386530257 /nfs/dbraw/zinc/53/02/57/386530257.db2.gz RADUBOQFRVTKTN-WDEREUQCSA-N 2 0 212.337 1.143 20 0 BDADRP CCCC[C@H](CC)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415032120 386520007 /nfs/dbraw/zinc/52/00/07/386520007.db2.gz FOCGVMHJYSIBMD-QWHCGFSZSA-N 2 0 228.380 1.923 20 0 BDADRP CCCn1cc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cn1 ZINC000415031598 386520170 /nfs/dbraw/zinc/52/01/70/386520170.db2.gz HHVAAESNYXVWDF-YPMHNXCESA-N 2 0 236.363 1.510 20 0 BDADRP C([NH2+][C@@H]1CCC[C@@H]1C1CC1)[C@H]1C[NH2+]CCCO1 ZINC000415034833 386521695 /nfs/dbraw/zinc/52/16/95/386521695.db2.gz IECFDTBYURULQZ-MGPQQGTHSA-N 2 0 238.375 1.533 20 0 BDADRP CCOc1cccc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)n1 ZINC000415033147 386522302 /nfs/dbraw/zinc/52/23/02/386522302.db2.gz IQFWMXFNALLKJA-RYUDHWBXSA-N 2 0 249.358 1.697 20 0 BDADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCO ZINC000336780078 386522986 /nfs/dbraw/zinc/52/29/86/386522986.db2.gz QIUADXXNXZEOLU-STQMWFEESA-N 2 0 228.380 1.469 20 0 BDADRP CC(C)[C@@H]([NH3+])CNC1CC[NH+](C(C)(C)C)CC1 ZINC000414785896 386523501 /nfs/dbraw/zinc/52/35/01/386523501.db2.gz ABLRBSRSAPUHBG-ZDUSSCGKSA-N 2 0 241.423 1.822 20 0 BDADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cccc3c2NCC3)C1 ZINC000415040734 386526203 /nfs/dbraw/zinc/52/62/03/386526203.db2.gz PHFUQIHCDLAVCM-SMDDNHRTSA-N 2 0 245.370 1.872 20 0 BDADRP CC[C@@H]1C[N@H+](CCCOC(C)C)CC[C@H]1[NH3+] ZINC000647936456 386527125 /nfs/dbraw/zinc/52/71/25/386527125.db2.gz FJBMZKJLKOXXFW-CHWSQXEVSA-N 2 0 228.380 1.861 20 0 BDADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cc(O)cc(F)c2)C1 ZINC000415041991 386527578 /nfs/dbraw/zinc/52/75/78/386527578.db2.gz QJCICMZAPHHGPS-CABZTGNLSA-N 2 0 238.306 1.748 20 0 BDADRP CC[C@H]1C[N@H+](CCOCC2CC2)CC[C@@H]1[NH3+] ZINC000647936511 386530567 /nfs/dbraw/zinc/53/05/67/386530567.db2.gz GLQXTHZYILOPCX-STQMWFEESA-N 2 0 226.364 1.472 20 0 BDADRP CC(C)(C)[NH2+]CC[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415041678 386527819 /nfs/dbraw/zinc/52/78/19/386527819.db2.gz QBQKSLSFVQTYAE-MNOVXSKESA-N 3 0 213.369 1.092 20 0 BDADRP C[C@@H](C[C@H]1CCC[NH2+]1)NCC[C@H]1CCC[NH2+]1 ZINC000414911138 386453096 /nfs/dbraw/zinc/45/30/96/386453096.db2.gz WHWOBVHZPGISBL-YNEHKIRRSA-N 2 0 225.380 1.249 20 0 BDADRP O[C@H]1C[NH2+]C[C@H]1C[NH2+]CCCC1CCCCC1 ZINC000414773398 386464222 /nfs/dbraw/zinc/46/42/22/386464222.db2.gz AEFNRBHYTRSACE-KGLIPLIRSA-N 2 0 240.391 1.517 20 0 BDADRP C[C@H](N)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977594 386576950 /nfs/dbraw/zinc/57/69/50/386576950.db2.gz DXFXCNBRHWBVCH-RWMBFGLXSA-N 2 0 225.380 1.045 20 0 BDADRP CC(C)(O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977952 386577051 /nfs/dbraw/zinc/57/70/51/386577051.db2.gz KDOCRFBKWNXLRR-CHWSQXEVSA-N 2 0 240.391 1.469 20 0 BDADRP CCCC[C@@H](COC)[NH2+]C[C@@H]([NH3+])C(C)C ZINC000414799333 386581225 /nfs/dbraw/zinc/58/12/25/386581225.db2.gz RDDYFGQWLGEDKL-NWDGAFQWSA-N 2 0 216.369 1.765 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000647905009 386584612 /nfs/dbraw/zinc/58/46/12/386584612.db2.gz DBJUDPFTICWRPT-TZMCWYRMSA-N 3 0 239.407 1.435 20 0 BDADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C[C@@H]1C[C@H]1C ZINC000336781537 386590619 /nfs/dbraw/zinc/59/06/19/386590619.db2.gz UWTBKVMNMJXCDJ-FRRDWIJNSA-N 2 0 228.380 1.589 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)[C@H]1CCCO1 ZINC000415080940 386591073 /nfs/dbraw/zinc/59/10/73/386591073.db2.gz MLZIIOJBDGXAON-FRRDWIJNSA-N 2 0 226.364 1.676 20 0 BDADRP CCn1nccc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000414801501 386591501 /nfs/dbraw/zinc/59/15/01/386591501.db2.gz UEYQACKZUJXVHS-CMPLNLGQSA-N 2 0 222.336 1.120 20 0 BDADRP COc1cc(C)nc(CN[C@H](C[NH3+])C2CC2)c1 ZINC000414800086 386594067 /nfs/dbraw/zinc/59/40/67/386594067.db2.gz KOWIPRMZFLTRGV-CYBMUJFWSA-N 2 0 235.331 1.226 20 0 BDADRP C([NH2+][C@H]1CCC[C@@H]2OCC[C@@H]21)C1CC[NH2+]CC1 ZINC000415083861 386596294 /nfs/dbraw/zinc/59/62/94/386596294.db2.gz FXHAYRKWYQXMQJ-RDBSUJKOSA-N 2 0 238.375 1.533 20 0 BDADRP C[C@@H](CC1CCCC1)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415046260 386530975 /nfs/dbraw/zinc/53/09/75/386530975.db2.gz UWKTUCRJZIVJOZ-GXTWGEPZSA-N 2 0 240.391 1.923 20 0 BDADRP Cc1ccc(CCC[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cn1 ZINC000415048970 386534958 /nfs/dbraw/zinc/53/49/58/386534958.db2.gz ZVZDUXMLXUQEEJ-WDNDVIMCSA-N 2 0 231.343 1.130 20 0 BDADRP CC(C)(C)[C@H]([NH3+])C(=O)NCc1ccc(C[NH3+])cc1 ZINC000519700205 386536979 /nfs/dbraw/zinc/53/69/79/386536979.db2.gz BALYIPKXCGCWDY-GFCCVEGCSA-N 2 0 249.358 1.135 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@@H]1C ZINC000415054110 386538521 /nfs/dbraw/zinc/53/85/21/386538521.db2.gz FDMSCGIGXIAPPN-ISFYIQIJSA-N 2 0 208.349 1.619 20 0 BDADRP Cc1ccc([C@H]([NH3+])C(=O)NC[C@H](C)[NH+](C)C)cc1 ZINC000228093209 386540312 /nfs/dbraw/zinc/54/03/12/386540312.db2.gz ZIYLYGHPEYCZRG-AAEUAGOBSA-N 2 0 249.358 1.061 20 0 BDADRP [NH3+]CCC[C@@H](N[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000415060682 386540903 /nfs/dbraw/zinc/54/09/03/386540903.db2.gz XHGGWWUEYKAFBE-UONOGXRCSA-N 3 0 233.359 1.418 20 0 BDADRP CC[N@H+](C)CCNC(=O)[C@H]([NH3+])c1ccc(C)cc1 ZINC000228093430 386541319 /nfs/dbraw/zinc/54/13/19/386541319.db2.gz WWQBLIKGCXAVND-CYBMUJFWSA-N 2 0 249.358 1.063 20 0 BDADRP Cn1nccc1CN[C@H](C[NH3+])C1CCCC1 ZINC000415061713 386541828 /nfs/dbraw/zinc/54/18/28/386541828.db2.gz DDVQYEGMOVEDGO-GFCCVEGCSA-N 2 0 222.336 1.027 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCCC[NH2+]C2)CCO1 ZINC000415063609 386545234 /nfs/dbraw/zinc/54/52/34/386545234.db2.gz APTAPZLXWAAQRJ-RDBSUJKOSA-N 2 0 240.391 1.922 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[NH2+]C2)CCO1 ZINC000415063607 386545516 /nfs/dbraw/zinc/54/55/16/386545516.db2.gz APTAPZLXWAAQRJ-MCIONIFRSA-N 2 0 240.391 1.922 20 0 BDADRP C([NH2+][C@H]1CCCC12CCCC2)C1C[NH2+]C1 ZINC000335463735 386547646 /nfs/dbraw/zinc/54/76/46/386547646.db2.gz ZFPCMVBNCMNGRB-LBPRGKRZSA-N 2 0 208.349 1.908 20 0 BDADRP CC[N@@H+]1CC[C@@H](NCCC[NH2+]C2CC2)[C@@H](C)C1 ZINC000415069193 386550148 /nfs/dbraw/zinc/55/01/48/386550148.db2.gz OHZICJQSATYZJC-GXTWGEPZSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H](C)C1 ZINC000415069919 386552748 /nfs/dbraw/zinc/55/27/48/386552748.db2.gz XYFLUWPEFCXDKX-PDWLFKFUSA-N 2 0 208.349 1.619 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cncc(F)c1 ZINC000414794142 386557049 /nfs/dbraw/zinc/55/70/49/386557049.db2.gz FGSIEOAJKDOAGE-ZYHUDNBSSA-N 2 0 223.295 1.438 20 0 BDADRP COC[C@H](CC(C)C)[NH2+]C[C@H]([NH3+])C(C)C ZINC000414794812 386561206 /nfs/dbraw/zinc/56/12/06/386561206.db2.gz MFNBCYFWRHXQHJ-RYUDHWBXSA-N 2 0 216.369 1.620 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000414808944 386624928 /nfs/dbraw/zinc/62/49/28/386624928.db2.gz SVGYYPCWZUFAPA-AGIUHOORSA-N 2 0 227.396 1.467 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2C[NH3+])CCO1 ZINC000414809033 386625161 /nfs/dbraw/zinc/62/51/61/386625161.db2.gz TUZCBZHMAYBLNX-MQYQWHSLSA-N 2 0 240.391 1.907 20 0 BDADRP CCC([NH3+])(CC)C[NH2+]C[C@@H]1CCSC1 ZINC000414810843 386634149 /nfs/dbraw/zinc/63/41/49/386634149.db2.gz OSNNIVKNGBXHSA-JTQLQIEISA-N 2 0 216.394 1.847 20 0 BDADRP C[NH2+]CCCN(C)Cc1c[nH]nc1C(C)(C)C ZINC000415132708 386639617 /nfs/dbraw/zinc/63/96/17/386639617.db2.gz LQIYKZAIRYGECY-UHFFFAOYSA-N 2 0 238.379 1.749 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C[NH2+]C2CCN(C)CC2)cc1 ZINC000414814651 386645337 /nfs/dbraw/zinc/64/53/37/386645337.db2.gz VURZBTBLZKVPGO-GFCCVEGCSA-N 2 0 247.386 1.890 20 0 BDADRP [NH3+]C[C@H]1C[N@H+](CC2CCCCC2)CCCO1 ZINC000313343375 386647902 /nfs/dbraw/zinc/64/79/02/386647902.db2.gz BMSIMGUSPZARPL-ZDUSSCGKSA-N 2 0 226.364 1.616 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@@H](CO)c2ccccc2)CC1 ZINC000415082186 386599188 /nfs/dbraw/zinc/59/91/88/386599188.db2.gz OBSWCPDEQMLSCC-ZALBZXLWSA-N 2 0 248.370 1.827 20 0 BDADRP Cc1nc(C[NH2+]CC2CC[NH2+]CC2)sc1C ZINC000415086377 386599840 /nfs/dbraw/zinc/59/98/40/386599840.db2.gz UMOXLZFUHWONAJ-UHFFFAOYSA-N 2 0 239.388 1.849 20 0 BDADRP C([NH2+]C1CCC2(CC2)CC1)[C@@H]1C[NH2+]CCCO1 ZINC000335488928 386605788 /nfs/dbraw/zinc/60/57/88/386605788.db2.gz SSDUTYXUUGITSZ-ZDUSSCGKSA-N 2 0 238.375 1.677 20 0 BDADRP CCC([NH3+])(CC)CN[C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000414804023 386606029 /nfs/dbraw/zinc/60/60/29/386606029.db2.gz DQCWMSRZYSYRKH-NWDGAFQWSA-N 2 0 227.396 1.624 20 0 BDADRP CC[N@@H+]1CC[C@H](NC[C@@H]([NH3+])C(C)C)[C@H](C)C1 ZINC000414804905 386609786 /nfs/dbraw/zinc/60/97/86/386609786.db2.gz YGAZWSSIANGMNQ-UPJWGTAASA-N 3 0 227.396 1.290 20 0 BDADRP CO[C@@H](C[N@H+](C)CC1CC[NH+](C)CC1)C1CC1 ZINC000644922924 386615291 /nfs/dbraw/zinc/61/52/91/386615291.db2.gz NVYNCFAPAPGZKY-AWEZNQCLSA-N 2 0 240.391 1.685 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H]3C[C@H]2CS3)CC[NH2+]1 ZINC000415108997 386617693 /nfs/dbraw/zinc/61/76/93/386617693.db2.gz LLTUIYZNMKWGTI-WYUUTHIRSA-N 2 0 226.389 1.564 20 0 BDADRP COC(=O)C1(C[NH2+][C@H](C)C[C@@H]2CCC[NH2+]2)CC1 ZINC000415108898 386617879 /nfs/dbraw/zinc/61/78/79/386617879.db2.gz QVMYYOFKQKJCCW-MNOVXSKESA-N 2 0 240.347 1.060 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000040503695 386660961 /nfs/dbraw/zinc/66/09/61/386660961.db2.gz SVPGHCZWYSZFBE-WCQYABFASA-N 2 0 241.379 1.104 20 0 BDADRP COC[C@H](CC(C)C)[NH2+]CC[C@H](C)[NH3+] ZINC000414819831 386661852 /nfs/dbraw/zinc/66/18/52/386661852.db2.gz IJYHRFRXRKQDKW-QWRGUYRKSA-N 2 0 202.342 1.374 20 0 BDADRP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+]2)CCO1 ZINC000414820377 386665613 /nfs/dbraw/zinc/66/56/13/386665613.db2.gz AQEYXLVJKWJDSN-XQQFMLRXSA-N 2 0 226.364 1.532 20 0 BDADRP CN(C)C1(C[N@H+](C)CC2CC[NH2+]CC2)CCC1 ZINC000097928160 386667737 /nfs/dbraw/zinc/66/77/37/386667737.db2.gz JCGMVOABYPRKLB-UHFFFAOYSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@@]1(CNC[C@H]([NH3+])c2ccccc2)CC[NH2+]C1 ZINC000414825774 386690858 /nfs/dbraw/zinc/69/08/58/386690858.db2.gz DBSGONJSFWGFBE-UONOGXRCSA-N 2 0 233.359 1.276 20 0 BDADRP COCC(C)(C)C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414827507 386694944 /nfs/dbraw/zinc/69/49/44/386694944.db2.gz HDCKVNDVCCEIBQ-LLVKDONJSA-N 2 0 214.353 1.248 20 0 BDADRP C[C@@H](C[NH2+]CC[C@H](C)[NH3+])CC1CCOCC1 ZINC000414828056 386699238 /nfs/dbraw/zinc/69/92/38/386699238.db2.gz YVHZTWHDUFOMIK-NEPJUHHUSA-N 2 0 228.380 1.766 20 0 BDADRP Cc1ccc(CCC[NH2+]CC[C@H]2CC[NH2+]C2)cn1 ZINC000414828977 386701143 /nfs/dbraw/zinc/70/11/43/386701143.db2.gz KBZKFYXWDUJWGP-HNNXBMFYSA-N 2 0 247.386 1.912 20 0 BDADRP Cc1c[nH]nc1CNC[C@@H](C)C[NH+]1CCCC1 ZINC000352844307 386705589 /nfs/dbraw/zinc/70/55/89/386705589.db2.gz FRVWITWOEFQTOT-LLVKDONJSA-N 2 0 236.363 1.540 20 0 BDADRP CC[NH+]1CCC(N[C@@H](C[NH3+])CC(C)C)CC1 ZINC000414836261 386730355 /nfs/dbraw/zinc/73/03/55/386730355.db2.gz IIZLTIXIEARBHL-CYBMUJFWSA-N 2 0 227.396 1.434 20 0 BDADRP [NH3+]CCN(CCc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000647961771 386733591 /nfs/dbraw/zinc/73/35/91/386733591.db2.gz IADHAQIBCMTGIY-HNNXBMFYSA-N 2 0 247.386 1.099 20 0 BDADRP CC[NH+]1CCN([C@H](C)C[NH2+]CC2(F)CC2)CC1 ZINC000527030586 386733740 /nfs/dbraw/zinc/73/37/40/386733740.db2.gz OZUCIYCCFPJYFN-GFCCVEGCSA-N 2 0 243.370 1.104 20 0 BDADRP CCS[C@@H]1CC[C@H]([N@H+](C)CCOCC[NH3+])C1 ZINC000357090226 386715225 /nfs/dbraw/zinc/71/52/25/386715225.db2.gz ZZFYZHLQKHADOA-NWDGAFQWSA-N 2 0 246.420 1.568 20 0 BDADRP CCCC[C@H](COC)[NH2+]C[C@@H](C)C[NH2+]C ZINC000414834805 386724791 /nfs/dbraw/zinc/72/47/91/386724791.db2.gz HVBJARHQSPBCQW-NWDGAFQWSA-N 2 0 216.369 1.637 20 0 BDADRP CC[C@H](CO)[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC000191981438 386726141 /nfs/dbraw/zinc/72/61/41/386726141.db2.gz JYTVYWVLXUUJLZ-CYBMUJFWSA-N 2 0 249.358 1.283 20 0 BDADRP C[NH2+]C[C@H](C)CNCc1cc(O)cc(F)c1 ZINC000414836553 386729938 /nfs/dbraw/zinc/72/99/38/386729938.db2.gz JOYHIAGIWZBPRI-VIFPVBQESA-N 2 0 226.295 1.476 20 0 BDADRP CC(C)OCCCN1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000430576948 386754410 /nfs/dbraw/zinc/75/44/10/386754410.db2.gz SZYSHFFGVBQZJU-STQMWFEESA-N 2 0 228.380 1.861 20 0 BDADRP CC(C)OCCCN1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000430576945 386755778 /nfs/dbraw/zinc/75/57/78/386755778.db2.gz SZYSHFFGVBQZJU-OLZOCXBDSA-N 2 0 228.380 1.861 20 0 BDADRP CC(C)OC1CC([NH2+]CC2=CC[N@H+](C)CC2)C1 ZINC000428072542 386768298 /nfs/dbraw/zinc/76/82/98/386768298.db2.gz JGKODADYNFUYHL-UHFFFAOYSA-N 2 0 238.375 1.794 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000336665437 386768842 /nfs/dbraw/zinc/76/88/42/386768842.db2.gz PNFYAXDPODCSGB-NWDGAFQWSA-N 2 0 225.380 1.330 20 0 BDADRP C[NH2+]C[C@@H](C)CNC1CC[NH+](C(C)C)CC1 ZINC000414839192 386742261 /nfs/dbraw/zinc/74/22/61/386742261.db2.gz LXXHDRHENUONLQ-GFCCVEGCSA-N 3 0 227.396 1.304 20 0 BDADRP C[C@H](C[NH2+][C@H]1CCOC[C@H]1C)C[NH+]1CCCC1 ZINC000192485049 386773398 /nfs/dbraw/zinc/77/33/98/386773398.db2.gz OEQSFOGLELNCJZ-MCIONIFRSA-N 2 0 240.391 1.733 20 0 BDADRP CO[C@@H]1C[C@@H]([NH2+][C@H](C)CCC[NH3+])C1(C)C ZINC000336666615 386780516 /nfs/dbraw/zinc/78/05/16/386780516.db2.gz DPHQNXJBSMYANW-GMTAPVOTSA-N 2 0 214.353 1.517 20 0 BDADRP C[C@H](C1CCC1)[N@H+](C)C[C@@H](O)CN(C)C1CC1 ZINC000325330950 386783925 /nfs/dbraw/zinc/78/39/25/386783925.db2.gz HKBMGRUNLQQSAP-BXUZGUMPSA-N 2 0 240.391 1.562 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)CC1CCOCC1 ZINC000414844978 386787700 /nfs/dbraw/zinc/78/77/00/386787700.db2.gz RZTYCMHGNOIUOJ-VXGBXAGGSA-N 2 0 228.380 1.637 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)Cn1cccn1 ZINC000336672364 386823668 /nfs/dbraw/zinc/82/36/68/386823668.db2.gz SJTJKAXHYYFTFA-RYUDHWBXSA-N 2 0 224.352 1.379 20 0 BDADRP Cc1ccncc1CCC[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000418109262 386805447 /nfs/dbraw/zinc/80/54/47/386805447.db2.gz TWRRJIUTRIZFLA-OKILXGFUSA-N 2 0 234.343 1.826 20 0 BDADRP CCn1cc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000414936192 386836151 /nfs/dbraw/zinc/83/61/51/386836151.db2.gz ZCFSGXFWLGOADL-RYUDHWBXSA-N 2 0 222.336 1.263 20 0 BDADRP COC[C@@]1(C[NH2+]CC2CCCCC2)CCC[NH2+]1 ZINC000414936723 386838581 /nfs/dbraw/zinc/83/85/81/386838581.db2.gz CGTKXUGJBDFTCJ-AWEZNQCLSA-N 2 0 240.391 1.925 20 0 BDADRP Cc1ccc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c(C)n1 ZINC000334785330 386844464 /nfs/dbraw/zinc/84/44/64/386844464.db2.gz ODFCHBGKCPPZHP-AAEUAGOBSA-N 2 0 233.359 1.868 20 0 BDADRP C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)[C@@H]1CC[NH2+]C1 ZINC000334786486 386847789 /nfs/dbraw/zinc/84/77/89/386847789.db2.gz SMFDKLGBROPJSY-ZDUSSCGKSA-N 3 0 237.391 1.062 20 0 BDADRP Cc1nc(C)c(C[NH2+][C@H](C)CCC[NH3+])s1 ZINC000336674418 386850710 /nfs/dbraw/zinc/85/07/10/386850710.db2.gz AEVTYOMCEOGVJO-MRVPVSSYSA-N 2 0 227.377 1.977 20 0 BDADRP CS[C@H]1CC[C@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000425350363 386866798 /nfs/dbraw/zinc/86/67/98/386866798.db2.gz LKXSJPVZBOCESU-NEPJUHHUSA-N 2 0 228.405 1.956 20 0 BDADRP CS[C@H]1CC[C@@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000425350369 386867575 /nfs/dbraw/zinc/86/75/75/386867575.db2.gz LKXSJPVZBOCESU-RYUDHWBXSA-N 2 0 228.405 1.956 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000414940706 386870946 /nfs/dbraw/zinc/87/09/46/386870946.db2.gz XTUGKZYQJVYWOX-FVCCEPFGSA-N 2 0 225.380 1.105 20 0 BDADRP CC1(C)CCC[NH2+][C@@H]1CN[C@@H]1CCC[NH2+]C1 ZINC000334861354 386915399 /nfs/dbraw/zinc/91/53/99/386915399.db2.gz BFGPSHWTCOMRJI-VXGBXAGGSA-N 2 0 225.380 1.106 20 0 BDADRP CC(C)C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000334862225 386915655 /nfs/dbraw/zinc/91/56/55/386915655.db2.gz JERLRIUEUUQRTF-KBPBESRZSA-N 2 0 240.391 1.861 20 0 BDADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CC2CC2)CC1 ZINC000334862409 386917836 /nfs/dbraw/zinc/91/78/36/386917836.db2.gz LIFSRUGECYZXTE-KGLIPLIRSA-N 2 0 238.375 1.615 20 0 BDADRP COC(=O)C(C)(C)CC[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000414944180 386902725 /nfs/dbraw/zinc/90/27/25/386902725.db2.gz GFRZHMATOFLJEV-QWRGUYRKSA-N 2 0 242.363 1.306 20 0 BDADRP COc1cccc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000414943409 386905324 /nfs/dbraw/zinc/90/53/24/386905324.db2.gz FNTGPAICDCROJN-AAEUAGOBSA-N 2 0 234.343 1.925 20 0 BDADRP [NH3+]Cc1ccc(N[C@H]2CCC[NH2+]C2)cc1 ZINC000334872310 386932679 /nfs/dbraw/zinc/93/26/79/386932679.db2.gz DPYWFBHWHHRVDI-LBPRGKRZSA-N 2 0 205.305 1.309 20 0 BDADRP C[C@]1(C[NH2+][C@H]2CCCSC2)CCC[NH2+]C1 ZINC000334871904 386932846 /nfs/dbraw/zinc/93/28/46/386932846.db2.gz CBWGPVALGCSEMD-RYUDHWBXSA-N 2 0 228.405 1.861 20 0 BDADRP C[C@@]1(C[NH2+][C@H]2CCCOCC2)CCC[NH2+]C1 ZINC000334873912 386935254 /nfs/dbraw/zinc/93/52/54/386935254.db2.gz KNKIBBFNNDXBRR-QWHCGFSZSA-N 2 0 226.364 1.535 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H](C)[C@@H](C)[NH3+] ZINC000332001076 386938440 /nfs/dbraw/zinc/93/84/40/386938440.db2.gz OOIWFZIOLQPEFJ-NDBYEHHHSA-N 2 0 227.396 1.623 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2C[C@H]([NH3+])c3ccccc32)CC[NH2+]1 ZINC000332031298 386944466 /nfs/dbraw/zinc/94/44/66/386944466.db2.gz SVRHPMVBNZIHHW-FIXIBIHLSA-N 2 0 245.370 1.861 20 0 BDADRP CCC(O)(CC)C[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000352905682 386957181 /nfs/dbraw/zinc/95/71/81/386957181.db2.gz UPTYIANJNBBDJQ-AAEUAGOBSA-N 2 0 240.391 1.610 20 0 BDADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000341871858 386979473 /nfs/dbraw/zinc/97/94/73/386979473.db2.gz FVFATLZXXZTDAN-YIYPIFLZSA-N 2 0 240.391 1.874 20 0 BDADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000341871436 386980360 /nfs/dbraw/zinc/98/03/60/386980360.db2.gz FVFATLZXXZTDAN-REWJHTLYSA-N 2 0 240.391 1.874 20 0 BDADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000341886238 386984313 /nfs/dbraw/zinc/98/43/13/386984313.db2.gz XRXZDGBWARSHHC-AAVRWANBSA-N 2 0 240.391 1.731 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000395201227 386985632 /nfs/dbraw/zinc/98/56/32/386985632.db2.gz VZVBGVPFLFMIPN-MELADBBJSA-N 2 0 241.423 1.837 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000395201225 386986143 /nfs/dbraw/zinc/98/61/43/386986143.db2.gz VZVBGVPFLFMIPN-IHRRRGAJSA-N 2 0 241.423 1.837 20 0 BDADRP c1ccc2c(c1)CCN[C@H]2C[NH2+]C1CCOCC1 ZINC000334820622 386950362 /nfs/dbraw/zinc/95/03/62/386950362.db2.gz SCYTVQBXMXPJDJ-HNNXBMFYSA-N 2 0 246.354 1.642 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](CCCCO)C1 ZINC000304327530 387031510 /nfs/dbraw/zinc/03/15/10/387031510.db2.gz TXLKYEQBBORECQ-GFCCVEGCSA-N 2 0 214.353 1.033 20 0 BDADRP Cn1cc(C[N@@H+]2CCCC[C@H]2CC[NH3+])cn1 ZINC000070074066 387043256 /nfs/dbraw/zinc/04/32/56/387043256.db2.gz ROCWLZVMLJSVHT-LBPRGKRZSA-N 2 0 222.336 1.123 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000359034003 387046123 /nfs/dbraw/zinc/04/61/23/387046123.db2.gz HQXKSUSEKWSSAB-MJBXVCDLSA-N 2 0 241.423 1.789 20 0 BDADRP C[C@@H]([NH3+])C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000334966816 387048795 /nfs/dbraw/zinc/04/87/95/387048795.db2.gz GVJQVNWIFQWMML-PWSUYJOCSA-N 2 0 212.337 1.082 20 0 BDADRP CCC[C@@H]1C[NH2+]CCN1C(=O)CCC(C)(C)[NH3+] ZINC000648108264 387055295 /nfs/dbraw/zinc/05/52/95/387055295.db2.gz VLXPGOGUOSYBBZ-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@@]1(F)CNCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000334971546 387056552 /nfs/dbraw/zinc/05/65/52/387056552.db2.gz IWFXAUMUCXVTFP-CYBMUJFWSA-N 2 0 243.370 1.010 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000333830608 387057700 /nfs/dbraw/zinc/05/77/00/387057700.db2.gz MNAQASUQEGHWEO-AGIUHOORSA-N 3 0 225.380 1.093 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+](C)C[C@@H]2CCOC2)CC[NH2+]1 ZINC000398890671 387013738 /nfs/dbraw/zinc/01/37/38/387013738.db2.gz MQLWUQHKMKDAMC-UPJWGTAASA-N 2 0 226.364 1.343 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000333119180 387018649 /nfs/dbraw/zinc/01/86/49/387018649.db2.gz HVNZLUYJRXNVRK-AVGNSLFASA-N 3 0 225.380 1.236 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000519156653 387021187 /nfs/dbraw/zinc/02/11/87/387021187.db2.gz AUHZVDTVCKCQGM-NSHDSACASA-N 3 0 221.348 1.362 20 0 BDADRP FC(F)COCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000188769577 387080347 /nfs/dbraw/zinc/08/03/47/387080347.db2.gz ZKVVTZIVFIKGFA-QWRGUYRKSA-N 2 0 248.317 1.485 20 0 BDADRP Nc1cccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000334994883 387086546 /nfs/dbraw/zinc/08/65/46/387086546.db2.gz WBLCTIRFOQMYFJ-OAHLLOKOSA-N 2 0 245.370 1.844 20 0 BDADRP COCCCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228475427 387088701 /nfs/dbraw/zinc/08/87/01/387088701.db2.gz SCBUIJYRLYLVKS-YNEHKIRRSA-N 2 0 226.364 1.472 20 0 BDADRP COc1cccc(C[NH2+]CCC[NH2+]C2CC2)c1 ZINC000228407344 387094357 /nfs/dbraw/zinc/09/43/57/387094357.db2.gz JPYCQXLQYOJWHV-UHFFFAOYSA-N 2 0 234.343 1.927 20 0 BDADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1C[NH2+]C1 ZINC000423300042 387131492 /nfs/dbraw/zinc/13/14/92/387131492.db2.gz CXULQODFSGNKAO-HNNXBMFYSA-N 2 0 246.354 1.882 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1NC1CC(C)(F)C1 ZINC000335008363 387102445 /nfs/dbraw/zinc/10/24/45/387102445.db2.gz SSOKFNVDAMOXTA-BZCXBAJXSA-N 2 0 200.301 1.465 20 0 BDADRP CC1(F)CC([NH2+][C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000335008451 387102461 /nfs/dbraw/zinc/10/24/61/387102461.db2.gz UMJFUBUPLFRMLM-VOBJUBJWSA-N 2 0 214.328 1.984 20 0 BDADRP C[C@@H]1C[C@H](NCC2([NH3+])CCCCC2)CC[N@@H+]1C ZINC000335011471 387106085 /nfs/dbraw/zinc/10/60/85/387106085.db2.gz SXIJHRFSZPCIKQ-CHWSQXEVSA-N 2 0 239.407 1.720 20 0 BDADRP C[C@@H]([NH3+])CC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000336274686 387106207 /nfs/dbraw/zinc/10/62/07/387106207.db2.gz IVYRZIDHUKOWEZ-SECBINFHSA-N 2 0 233.315 1.008 20 0 BDADRP C[C@H]1C[C@H](NCC2([NH3+])CCCCC2)CC[N@@H+]1C ZINC000335011476 387107567 /nfs/dbraw/zinc/10/75/67/387107567.db2.gz SXIJHRFSZPCIKQ-QWHCGFSZSA-N 2 0 239.407 1.720 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCS2)CC[N@@H+]1C ZINC000247190958 387131956 /nfs/dbraw/zinc/13/19/56/387131956.db2.gz UKZGSURRWGIAJM-IJLUTSLNSA-N 2 0 228.405 1.954 20 0 BDADRP C[N@H+](C[C@@H]1CCC[NH2+]C1)C[C@H]1CCCCO1 ZINC000250366121 387115128 /nfs/dbraw/zinc/11/51/28/387115128.db2.gz FYAUPBBJHNIWSV-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP [NH3+]C1(C[NH2+][C@@H]2CCCC23CCOCC3)CCC1 ZINC000335026753 387118572 /nfs/dbraw/zinc/11/85/72/387118572.db2.gz YUTJBEUYUFJTST-GFCCVEGCSA-N 2 0 238.375 1.807 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCc2ccccc21)C1C[NH2+]C1 ZINC000335026303 387119392 /nfs/dbraw/zinc/11/93/92/387119392.db2.gz YLYMZVKZAUEQOQ-IINYFYTJSA-N 2 0 216.328 1.871 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@H](C)C[C@H](C)[NH3+] ZINC000423298894 387129923 /nfs/dbraw/zinc/12/99/23/387129923.db2.gz PCNITGJSGSHZRP-HBNTYKKESA-N 2 0 201.358 1.219 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000359210969 387068453 /nfs/dbraw/zinc/06/84/53/387068453.db2.gz FBJUIVPBROZADS-GFCCVEGCSA-N 3 0 239.407 1.435 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000423307898 387143078 /nfs/dbraw/zinc/14/30/78/387143078.db2.gz NWPROBBEALHCER-ZOBORPQBSA-N 2 0 240.391 1.766 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000423307897 387143772 /nfs/dbraw/zinc/14/37/72/387143772.db2.gz NWPROBBEALHCER-YIYPIFLZSA-N 2 0 240.391 1.766 20 0 BDADRP CC[C@H](Cc1ccccc1)[NH2+]CC1C[NH2+]C1 ZINC000423308053 387144107 /nfs/dbraw/zinc/14/41/07/387144107.db2.gz XGBSEFBVMDSZAT-CQSZACIVSA-N 2 0 218.344 1.817 20 0 BDADRP CC(C)CO[C@H]1C[C@@H]([NH2+]CC2C[NH2+]C2)C1(C)C ZINC000423308725 387144511 /nfs/dbraw/zinc/14/45/11/387144511.db2.gz YETWKPJZENARCB-OLZOCXBDSA-N 2 0 240.391 1.635 20 0 BDADRP C([NH2+][C@H]1CCCC[C@@H]1C1CC1)C1C[NH2+]C1 ZINC000423309114 387146160 /nfs/dbraw/zinc/14/61/60/387146160.db2.gz YZRAEVNYVOUWBO-OLZOCXBDSA-N 2 0 208.349 1.764 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC1C[NH2+]C1 ZINC000423310344 387146474 /nfs/dbraw/zinc/14/64/74/387146474.db2.gz AAONRROOJSKBIU-YPMHNXCESA-N 2 0 225.380 1.106 20 0 BDADRP C([NH2+][C@@H]1CCCC[C@H]1C1CC1)C1C[NH2+]C1 ZINC000423309115 387146855 /nfs/dbraw/zinc/14/68/55/387146855.db2.gz YZRAEVNYVOUWBO-QWHCGFSZSA-N 2 0 208.349 1.764 20 0 BDADRP CCC[NH2+]CC[NH2+][C@H](CC)[C@H]1CCOC1 ZINC000423312368 387147915 /nfs/dbraw/zinc/14/79/15/387147915.db2.gz RRHLXEUIAQMLKN-NWDGAFQWSA-N 2 0 214.353 1.391 20 0 BDADRP CCC[NH2+]CC[NH2+][C@H]1CCC[C@H]1COCC ZINC000423313483 387150545 /nfs/dbraw/zinc/15/05/45/387150545.db2.gz UJJSRZNQVHXYIF-STQMWFEESA-N 2 0 228.380 1.781 20 0 BDADRP CCC[NH2+]CCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000423312611 387151470 /nfs/dbraw/zinc/15/14/70/387151470.db2.gz SCQMUXGCRVXXMB-NEPJUHHUSA-N 2 0 213.369 1.236 20 0 BDADRP Cc1ccncc1[C@H](C)[NH2+]C[C@H](C)C[NH3+] ZINC000423315242 387154943 /nfs/dbraw/zinc/15/49/43/387154943.db2.gz ZIINERSGNHFCLY-KOLCDFICSA-N 2 0 207.321 1.635 20 0 BDADRP CO[C@@H]1[C@@H](C)[C@H]([NH2+]CCCC[NH3+])C1(C)C ZINC000423319935 387162078 /nfs/dbraw/zinc/16/20/78/387162078.db2.gz FSXQZKIIDPAGGQ-GARJFASQSA-N 2 0 214.353 1.374 20 0 BDADRP CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CCCC[NH3+])C1(C)C ZINC000423319937 387162489 /nfs/dbraw/zinc/16/24/89/387162489.db2.gz FSXQZKIIDPAGGQ-HBNTYKKESA-N 2 0 214.353 1.374 20 0 BDADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)[C@H]1CCC[NH2+]1 ZINC000423322920 387164774 /nfs/dbraw/zinc/16/47/74/387164774.db2.gz HLZGRRMOXCMWSV-VXGBXAGGSA-N 3 0 225.380 1.106 20 0 BDADRP COc1cccc2c1CC[C@H]([NH2+]CC1C[NH2+]C1)C2 ZINC000423324367 387166898 /nfs/dbraw/zinc/16/68/98/387166898.db2.gz PGAQPLFOCWUWTN-ZDUSSCGKSA-N 2 0 246.354 1.362 20 0 BDADRP COC[C@H]([NH2+]CC1([NH3+])CCC1)C(C)C ZINC000423323437 387167156 /nfs/dbraw/zinc/16/71/56/387167156.db2.gz JLHXIWZXGYKYKY-JTQLQIEISA-N 2 0 200.326 1.128 20 0 BDADRP [NH3+][C@H](C[NH2+][C@@H]1CC[C@@H]1C1CCC1)C1CC1 ZINC000423324479 387168334 /nfs/dbraw/zinc/16/83/34/387168334.db2.gz PMZAEJRCNURQHK-JHJVBQTASA-N 2 0 208.349 1.892 20 0 BDADRP C[C@H](Cc1ccoc1)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423330148 387173051 /nfs/dbraw/zinc/17/30/51/387173051.db2.gz TYDNHCHGUTZCRA-SKDRFNHKSA-N 2 0 208.305 1.538 20 0 BDADRP c1cncc([C@H]2CCC[C@@H]([NH2+]CC3C[NH2+]C3)C2)c1 ZINC000423329518 387173188 /nfs/dbraw/zinc/17/31/88/387173188.db2.gz SXHGYTQJYIAEID-DZGCQCFKSA-N 2 0 245.370 1.917 20 0 BDADRP CC[C@H]([NH2+]CCCC[NH3+])[C@H]1CCCC[NH2+]1 ZINC000423330011 387174205 /nfs/dbraw/zinc/17/42/05/387174205.db2.gz PJPXOCRSQJRROR-NWDGAFQWSA-N 3 0 213.369 1.236 20 0 BDADRP C1=C(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CC[NH2+]C1 ZINC000423335799 387184400 /nfs/dbraw/zinc/18/44/00/387184400.db2.gz GPJUBIFURXOCSV-BFHYXJOUSA-N 2 0 248.370 1.453 20 0 BDADRP C[C@@H](NC[C@]1(C)CCC[NH2+]C1)[C@H]1CCCC[NH2+]1 ZINC000423337575 387185933 /nfs/dbraw/zinc/18/59/33/387185933.db2.gz KHVPWBOROJCQDE-MGPQQGTHSA-N 2 0 239.407 1.496 20 0 BDADRP CCOc1ccc([C@H](C)[NH2+]CC2C[NH2+]C2)cc1 ZINC000423301871 387135478 /nfs/dbraw/zinc/13/54/78/387135478.db2.gz IIKZRXOUDXKPLS-NSHDSACASA-N 2 0 234.343 1.955 20 0 BDADRP C[C@H](C[NH3+])CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423301828 387135617 /nfs/dbraw/zinc/13/56/17/387135617.db2.gz GQHDCXNIPFKKDR-ICCXJUOJSA-N 2 0 219.332 1.316 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@H]1CCc2c1cccc2F ZINC000423303338 387138173 /nfs/dbraw/zinc/13/81/73/387138173.db2.gz WWPWIQGIIXTGJH-ZANVPECISA-N 2 0 222.307 1.997 20 0 BDADRP Cc1cncc([C@H](C)[NH2+]C[C@H](C)C[NH3+])c1 ZINC000423305075 387139960 /nfs/dbraw/zinc/13/99/60/387139960.db2.gz KCABZZTZUMKFFR-MNOVXSKESA-N 2 0 207.321 1.635 20 0 BDADRP CCC[NH2+]CCN[C@H](C)c1c[nH+]ccc1N ZINC000423305441 387140055 /nfs/dbraw/zinc/14/00/55/387140055.db2.gz BWGPEFDWKDJRMO-SNVBAGLBSA-N 2 0 222.336 1.144 20 0 BDADRP C[C@@H](NC[C@@]1(C)CCC[NH2+]C1)[C@H]1CCC[NH2+]1 ZINC000423351573 387202550 /nfs/dbraw/zinc/20/25/50/387202550.db2.gz ZFHGPMUUJIKVSF-UPJWGTAASA-N 2 0 225.380 1.106 20 0 BDADRP C[C@@H]1C[C@@H](NCC[C@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000423356707 387207690 /nfs/dbraw/zinc/20/76/90/387207690.db2.gz HFPOMIPCJQPLBP-UPJWGTAASA-N 2 0 225.380 1.201 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423427126 387252714 /nfs/dbraw/zinc/25/27/14/387252714.db2.gz IEIXUYWTQBLZTN-JHJVBQTASA-N 3 0 227.396 1.624 20 0 BDADRP C[C@H]1C[C@@H](NCC[C@H]2CCC[NH2+]2)C[N@@H+]1C1CC1 ZINC000423364707 387216230 /nfs/dbraw/zinc/21/62/30/387216230.db2.gz OXYMJFOMSTUPDF-YNEHKIRRSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@@H]([NH2+]CCC[NH3+])c1ccc2[nH]c(=O)oc2c1 ZINC000643496754 387219525 /nfs/dbraw/zinc/21/95/25/387219525.db2.gz BGBNUPOUOVMUNR-MRVPVSSYSA-N 2 0 235.287 1.533 20 0 BDADRP C[NH2+][C@@H](C)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423397616 387233010 /nfs/dbraw/zinc/23/30/10/387233010.db2.gz SRLZUOFRNJPFRM-UMSGYPCISA-N 2 0 238.375 1.532 20 0 BDADRP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cn1 ZINC000423326793 387233091 /nfs/dbraw/zinc/23/30/91/387233091.db2.gz RDISKKHSOAMPTI-ZWNOBZJWSA-N 2 0 249.358 1.348 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cccc(CO)c1 ZINC000423400170 387233926 /nfs/dbraw/zinc/23/39/26/387233926.db2.gz WMNRMZIHKHOEQI-JMSVASOKSA-N 2 0 248.370 1.970 20 0 BDADRP c1cnn([C@H]2CCC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)c1 ZINC000336409497 387238899 /nfs/dbraw/zinc/23/88/99/387238899.db2.gz YNOMDLSGJMVJSR-KBPBESRZSA-N 2 0 248.374 1.520 20 0 BDADRP COC[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)C1CCCC1 ZINC000423407743 387243041 /nfs/dbraw/zinc/24/30/41/387243041.db2.gz WJAHQVSTQFCRJP-XBFCOCLRSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000194950052 387253705 /nfs/dbraw/zinc/25/37/05/387253705.db2.gz YNIJWNPZWLTDMU-QWHCGFSZSA-N 2 0 226.364 1.175 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1cccc(CO)c1 ZINC000423409314 387246703 /nfs/dbraw/zinc/24/67/03/387246703.db2.gz YRJHVPXGCYJAJV-HUBLWGQQSA-N 2 0 248.370 1.828 20 0 BDADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000423415253 387249354 /nfs/dbraw/zinc/24/93/54/387249354.db2.gz AKDNJIBSLQVRKF-CYDGBPFRSA-N 3 0 225.380 1.221 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCOC1 ZINC000423462302 387310508 /nfs/dbraw/zinc/31/05/08/387310508.db2.gz DLIHSMQSZNJFDT-RQJABVFESA-N 2 0 240.391 1.909 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC000423461963 387310569 /nfs/dbraw/zinc/31/05/69/387310569.db2.gz DAXXMXQLFQRZJO-LOWDOPEQSA-N 3 0 225.380 1.234 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1C[C@H](OC)C1(CC)CC ZINC000423464609 387312819 /nfs/dbraw/zinc/31/28/19/387312819.db2.gz MGLSPPFRYBHZIF-TUAOUCFPSA-N 2 0 228.380 1.907 20 0 BDADRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)[C@@H]1CCCC[NH2+]1 ZINC000423465976 387312909 /nfs/dbraw/zinc/31/29/09/387312909.db2.gz AGTITRPOTRULHB-MCIONIFRSA-N 3 0 239.407 1.639 20 0 BDADRP COCCC[C@H](C)[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423468184 387314692 /nfs/dbraw/zinc/31/46/92/387314692.db2.gz JNTVCZZTDSTOBG-YNEHKIRRSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@H]1CCC[NH2+]1 ZINC000423429026 387254114 /nfs/dbraw/zinc/25/41/14/387254114.db2.gz JVRVXTYQRSEFEN-SCUASFONSA-N 3 0 237.391 1.105 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000423374352 387255539 /nfs/dbraw/zinc/25/55/39/387255539.db2.gz IHTONSIYTFQQKK-VLEAKVRGSA-N 2 0 200.326 1.269 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCCN[C@H]1C ZINC000423375412 387255970 /nfs/dbraw/zinc/25/59/70/387255970.db2.gz KLBRVTFKLAYQQX-WOPDTQHZSA-N 2 0 213.369 1.234 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCCN[C@@H]1C ZINC000423375411 387256498 /nfs/dbraw/zinc/25/64/98/387256498.db2.gz KLBRVTFKLAYQQX-UTUOFQBUSA-N 2 0 213.369 1.234 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C12CCC2 ZINC000423379476 387263634 /nfs/dbraw/zinc/26/36/34/387263634.db2.gz XSXGOUCRDMBCGN-FVCCEPFGSA-N 2 0 238.375 1.804 20 0 BDADRP C[C@H]1O[C@@H](C)C[C@H]1[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000423382197 387264910 /nfs/dbraw/zinc/26/49/10/387264910.db2.gz ODAITCZMSRPHLS-IYKVGLELSA-N 2 0 212.337 1.282 20 0 BDADRP [NH3+]CC[C@H]1CCCCN1C[C@H]1CCC[NH2+]C1 ZINC000352504967 387267637 /nfs/dbraw/zinc/26/76/37/387267637.db2.gz WPNJFHDMDUBDMD-QWHCGFSZSA-N 2 0 225.380 1.189 20 0 BDADRP CC[NH2+][C@H](C)CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000423387018 387270366 /nfs/dbraw/zinc/27/03/66/387270366.db2.gz SGYXFJFDUMGSRB-UMSGYPCISA-N 2 0 227.396 1.303 20 0 BDADRP COC[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)C1CCCC1 ZINC000423386501 387270901 /nfs/dbraw/zinc/27/09/01/387270901.db2.gz SAGLCSGRKJQSJA-XBFCOCLRSA-N 2 0 240.391 1.922 20 0 BDADRP CC[NH2+][C@H](C)CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423385890 387271652 /nfs/dbraw/zinc/27/16/52/387271652.db2.gz KYPSSECJLDGZCN-SWHYSGLUSA-N 2 0 233.359 1.719 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H]1[NH2+]CCCC1(C)C ZINC000423393866 387278218 /nfs/dbraw/zinc/27/82/18/387278218.db2.gz RLUGCGFDODRMEG-UPJWGTAASA-N 2 0 239.407 1.352 20 0 BDADRP Cc1cc(N)cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000423469332 387317957 /nfs/dbraw/zinc/31/79/57/387317957.db2.gz CAASAQXUGICNHD-MNOVXSKESA-N 2 0 221.348 1.793 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)[C@H](C)O1 ZINC000423431882 387283325 /nfs/dbraw/zinc/28/33/25/387283325.db2.gz MBIDWPAYECSFFK-JPKGWIMLSA-N 2 0 238.375 1.530 20 0 BDADRP C[NH+](C)C1CC(NCc2ccc3[nH]cnc3c2)C1 ZINC000514739786 387283626 /nfs/dbraw/zinc/28/36/26/387283626.db2.gz XCTMFPFOLPGGDA-UHFFFAOYSA-N 2 0 244.342 1.745 20 0 BDADRP COC[C@@]1(C[NH2+][C@H](C)C(C)(C)C)CCC[NH2+]1 ZINC000423432284 387283791 /nfs/dbraw/zinc/28/37/91/387283791.db2.gz QWGNBCJDJNGELE-YPMHNXCESA-N 2 0 228.380 1.779 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](CCC(C)(C)O)C1 ZINC000360436837 387284492 /nfs/dbraw/zinc/28/44/92/387284492.db2.gz KFGHZGLNQROJIR-GFCCVEGCSA-N 2 0 228.380 1.421 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])c1nccn1C ZINC000423435051 387286834 /nfs/dbraw/zinc/28/68/34/387286834.db2.gz ONLPPJWQAGWTDH-RYUDHWBXSA-N 2 0 238.379 1.978 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@H]1CCC[C@H]1CCOC ZINC000423470445 387318089 /nfs/dbraw/zinc/31/80/89/387318089.db2.gz PJGPWKLGZYDJGP-SRVKXCTJSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]C[C@@H]1NCCc2ccccc21 ZINC000423437310 387288732 /nfs/dbraw/zinc/28/87/32/387288732.db2.gz UHQBDLVSOXNYMW-WFASDCNBSA-N 2 0 247.386 1.590 20 0 BDADRP C1C[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H]([C@H]2CCCC[NH2+]2)C1 ZINC000423446785 387294689 /nfs/dbraw/zinc/29/46/89/387294689.db2.gz CUSWBSBOJLUUNM-JEWKUQAESA-N 2 0 249.402 1.105 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)[C@H](C)[NH3+])C1CCSCC1 ZINC000423445653 387295071 /nfs/dbraw/zinc/29/50/71/387295071.db2.gz MXVGTNCFNIGFEX-LPEHRKFASA-N 2 0 216.394 1.843 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000423455591 387304149 /nfs/dbraw/zinc/30/41/49/387304149.db2.gz MQTIUKDALPWDGA-SYQHCUMBSA-N 3 0 239.407 1.576 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000423459345 387305506 /nfs/dbraw/zinc/30/55/06/387305506.db2.gz HTRPFFBVUBUGSI-QWHCGFSZSA-N 2 0 234.343 1.707 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CCCOC1 ZINC000423459927 387308693 /nfs/dbraw/zinc/30/86/93/387308693.db2.gz AKEVFVBAEXQFRV-CRWXNKLISA-N 2 0 240.391 1.909 20 0 BDADRP CC[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1nccn1C ZINC000423537139 387364179 /nfs/dbraw/zinc/36/41/79/387364179.db2.gz JHXLBCQBMPJMNA-CYBMUJFWSA-N 2 0 248.374 1.771 20 0 BDADRP Cc1cc([C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)nn1C ZINC000423539029 387365356 /nfs/dbraw/zinc/36/53/56/387365356.db2.gz OIDTUHIDGIOVAK-GFCCVEGCSA-N 2 0 248.374 1.689 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1NC[C@H]1CCCC[NH2+]1 ZINC000643502386 387366832 /nfs/dbraw/zinc/36/68/32/387366832.db2.gz FDTIHUGDCFGQRK-UPJWGTAASA-N 2 0 225.380 1.378 20 0 BDADRP CCOC[C@@H](C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423545558 387367405 /nfs/dbraw/zinc/36/74/05/387367405.db2.gz XXKILSMHANAOHH-LLVKDONJSA-N 2 0 212.337 1.311 20 0 BDADRP C[C@H]1OCC[C@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423543256 387368922 /nfs/dbraw/zinc/36/89/22/387368922.db2.gz UUEIKJRBAIWIIV-ZYHUDNBSSA-N 2 0 210.321 1.063 20 0 BDADRP Cc1cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc(C)n1 ZINC000423559686 387375780 /nfs/dbraw/zinc/37/57/80/387375780.db2.gz UCJHGDASLXFSNH-ZJUUUORDSA-N 2 0 221.348 1.914 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)[C@H]1CCOC1 ZINC000423571992 387379183 /nfs/dbraw/zinc/37/91/83/387379183.db2.gz YAQQMXBUPYFJRJ-SDDRHHMPSA-N 2 0 212.337 1.143 20 0 BDADRP COCC[C@H]1CCC[C@@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000423570050 387379469 /nfs/dbraw/zinc/37/94/69/387379469.db2.gz WSNAXNLHEDEXMT-OCCSQVGLSA-N 2 0 240.391 1.923 20 0 BDADRP [NH3+][C@@H]1C[C@@H](NCCC[NH2+]C2CC2)c2ccccc21 ZINC000423572525 387380999 /nfs/dbraw/zinc/38/09/99/387380999.db2.gz YHIMFPGWNZXUTJ-HUUCEWRRSA-N 2 0 245.370 1.863 20 0 BDADRP Cc1nc(CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)cs1 ZINC000226313593 387381931 /nfs/dbraw/zinc/38/19/31/387381931.db2.gz PXFUGDYQGXKGTC-QWRGUYRKSA-N 2 0 239.388 1.854 20 0 BDADRP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000423473720 387319654 /nfs/dbraw/zinc/31/96/54/387319654.db2.gz QVBPTCHPWVEGNX-BJDJZHNGSA-N 2 0 214.353 1.517 20 0 BDADRP Cc1cc(N)cc(C[NH2+][C@H](C)CCC[NH3+])c1 ZINC000423475817 387321972 /nfs/dbraw/zinc/32/19/72/387321972.db2.gz JMUHNHFKCKPSMK-LLVKDONJSA-N 2 0 221.348 1.794 20 0 BDADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cnccc1N ZINC000423482638 387329251 /nfs/dbraw/zinc/32/92/51/387329251.db2.gz PLRREBRRNCRBGJ-RYUDHWBXSA-N 2 0 248.374 1.677 20 0 BDADRP C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CCOCC1 ZINC000036321637 387382800 /nfs/dbraw/zinc/38/28/00/387382800.db2.gz RIZFBKGQQVYJDA-LLVKDONJSA-N 2 0 212.337 1.097 20 0 BDADRP CC(C)C1CC([NH2+]C[C@@H]2C[NH2+]CCCO2)C1 ZINC000423485154 387331610 /nfs/dbraw/zinc/33/16/10/387331610.db2.gz ANTWZLQUSCRUDS-BPCQOVAHSA-N 2 0 226.364 1.389 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]([NH3+])CC)C12CCC2 ZINC000423484560 387332252 /nfs/dbraw/zinc/33/22/52/387332252.db2.gz YOMPYIVYWZRSSJ-QJPTWQEYSA-N 2 0 226.364 1.661 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)C1CCCC1 ZINC000423490041 387335618 /nfs/dbraw/zinc/33/56/18/387335618.db2.gz HIGDACAVXZAPCD-KBPBESRZSA-N 2 0 240.391 1.923 20 0 BDADRP CCC[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)C1CCC1 ZINC000423492200 387335660 /nfs/dbraw/zinc/33/56/60/387335660.db2.gz MBCYADYBKQODTP-ZIAGYGMSSA-N 2 0 240.391 1.923 20 0 BDADRP CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423496783 387339253 /nfs/dbraw/zinc/33/92/53/387339253.db2.gz XQJISWPSZPUENB-IJLUTSLNSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H](Cc1ccoc1)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000423503261 387342235 /nfs/dbraw/zinc/34/22/35/387342235.db2.gz KHZYNQFTXOUUFD-NTZNESFSSA-N 2 0 222.332 1.928 20 0 BDADRP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)C(C)C ZINC000423504539 387343404 /nfs/dbraw/zinc/34/34/04/387343404.db2.gz GDPMVKKQOPPGMH-VXGBXAGGSA-N 2 0 214.353 1.389 20 0 BDADRP CCc1ccccc1[C@H]([NH3+])CN[C@@H](C)C[C@@H](C)[NH3+] ZINC000423508859 387345353 /nfs/dbraw/zinc/34/53/53/387345353.db2.gz QZGZGFRCLKZPFY-TYNCELHUSA-N 2 0 249.402 1.964 20 0 BDADRP CC[NH2+][C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000423588746 387383754 /nfs/dbraw/zinc/38/37/54/387383754.db2.gz BEQQFQWZXGPPOT-SNVBAGLBSA-N 2 0 246.314 1.062 20 0 BDADRP C[C@H]([NH2+]CCCn1ccnc1)[C@H]1CCC[NH2+]1 ZINC000400643750 387349914 /nfs/dbraw/zinc/34/99/14/387349914.db2.gz OOQRYQCBSHNKFK-NWDGAFQWSA-N 2 0 222.336 1.003 20 0 BDADRP CCC(O)(CC)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000121888095 387427324 /nfs/dbraw/zinc/42/73/24/387427324.db2.gz SXSJSETXRGJOQE-NEPJUHHUSA-N 2 0 228.380 1.610 20 0 BDADRP COC[C@@H](C)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374180272 387429146 /nfs/dbraw/zinc/42/91/46/387429146.db2.gz ZKYHHUVHBYXYMF-CYBMUJFWSA-N 2 0 240.391 1.829 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000516044822 387449601 /nfs/dbraw/zinc/44/96/01/387449601.db2.gz UDRUJTVYPKLNKB-GXTWGEPZSA-N 3 0 239.407 1.306 20 0 BDADRP CC[NH+](CC)CCC[N@H+](CC)[C@@H]1CCOC1 ZINC000361591461 387505823 /nfs/dbraw/zinc/50/58/23/387505823.db2.gz ZWGJGPZELLQGFY-CYBMUJFWSA-N 2 0 228.380 1.829 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC000643475329 387508589 /nfs/dbraw/zinc/50/85/89/387508589.db2.gz GYDFGGUQEKTDFE-NEPJUHHUSA-N 2 0 212.337 1.286 20 0 BDADRP C[NH2+]CCC[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000516469829 387514664 /nfs/dbraw/zinc/51/46/64/387514664.db2.gz UZUWPDYXLCDMJD-CYBMUJFWSA-N 2 0 219.332 1.480 20 0 BDADRP C[C@@H](CN[C@@H](C)c1ccncn1)C[NH+]1CCCC1 ZINC000395960196 387517238 /nfs/dbraw/zinc/51/72/38/387517238.db2.gz FQSSBEGHIAWXFV-STQMWFEESA-N 2 0 248.374 1.859 20 0 BDADRP CC[NH+](CC)CCN1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000375215797 387517497 /nfs/dbraw/zinc/51/74/97/387517497.db2.gz PQNXBDVMSVAEAF-ZIAGYGMSSA-N 2 0 239.407 1.354 20 0 BDADRP Cc1c[nH+]ccc1NC[C@@](C)(O)C[NH+](C)C ZINC000192716324 387526983 /nfs/dbraw/zinc/52/69/83/387526983.db2.gz WYHXMDFXLRNRKX-GFCCVEGCSA-N 2 0 223.320 1.115 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2ccncn2)CC1 ZINC000396062016 387531702 /nfs/dbraw/zinc/53/17/02/387531702.db2.gz XWWXDFIEXDAYIF-GFCCVEGCSA-N 2 0 248.374 1.859 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]CCN2CC[C@@H](C)C2)CCO1 ZINC000648499106 387475621 /nfs/dbraw/zinc/47/56/21/387475621.db2.gz AJCOWHIKMSCKKJ-HZSPNIEDSA-N 2 0 240.391 1.875 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCC1(CO)CC1 ZINC000395838595 387478575 /nfs/dbraw/zinc/47/85/75/387478575.db2.gz MHIFUFDTMUXGID-NWDGAFQWSA-N 2 0 226.364 1.256 20 0 BDADRP CC(C)[NH2+]CCC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000643508180 387479516 /nfs/dbraw/zinc/47/95/16/387479516.db2.gz RJUBQUDTPNPKPY-CYBMUJFWSA-N 3 0 241.423 1.694 20 0 BDADRP C[C@](O)(C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])C1CC1 ZINC000643473016 387484707 /nfs/dbraw/zinc/48/47/07/387484707.db2.gz KJQHTQPWJPIGFR-UPJWGTAASA-N 2 0 226.364 1.397 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccccc1CO ZINC000643455970 387492403 /nfs/dbraw/zinc/49/24/03/387492403.db2.gz FZRMVFQQHQVJQV-GFCCVEGCSA-N 2 0 236.359 1.786 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)C1 ZINC000643510517 387582163 /nfs/dbraw/zinc/58/21/63/387582163.db2.gz CBZBJWCUFCTPIZ-BFHYXJOUSA-N 2 0 240.391 1.923 20 0 BDADRP CO[C@H]1CCC[C@H]([NH2+]CC(C)(C)[NH3+])C1 ZINC000643513314 387595870 /nfs/dbraw/zinc/59/58/70/387595870.db2.gz QYRQQMQPSUPVJA-UWVGGRQHSA-N 2 0 200.326 1.271 20 0 BDADRP CCOC(=O)CC[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422638735 387611559 /nfs/dbraw/zinc/61/15/59/387611559.db2.gz RHAQRPIDVSTSQP-SRVKXCTJSA-N 2 0 242.363 1.245 20 0 BDADRP Cc1cn[nH]c1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000356079045 387613127 /nfs/dbraw/zinc/61/31/27/387613127.db2.gz AHRZDRRVFRFUMJ-UHFFFAOYSA-N 2 0 236.363 1.492 20 0 BDADRP C([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCCO1 ZINC000422700691 387615469 /nfs/dbraw/zinc/61/54/69/387615469.db2.gz HGVQLRNJZTYNOG-HNGCFSAESA-N 2 0 224.348 1.428 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C1CCCCC1 ZINC000422702995 387617349 /nfs/dbraw/zinc/61/73/49/387617349.db2.gz MBAGRQVLQCGOJZ-FRRDWIJNSA-N 2 0 226.364 1.397 20 0 BDADRP COC[C@H](C)C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422702338 387619301 /nfs/dbraw/zinc/61/93/01/387619301.db2.gz KNNDBUDHDYESRL-WOPDTQHZSA-N 2 0 214.353 1.519 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)C1CCCCC1 ZINC000422706672 387621798 /nfs/dbraw/zinc/62/17/98/387621798.db2.gz UUYHJSKSCFFOMD-IHRRRGAJSA-N 2 0 240.391 1.645 20 0 BDADRP CCCC[N@H+](C)CCN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422708812 387622884 /nfs/dbraw/zinc/62/28/84/387622884.db2.gz JKDJKQCIRVZOOD-ZIAGYGMSSA-N 2 0 241.423 1.839 20 0 BDADRP CCCC[N@H+](C)CCNC1CC[NH2+]CC1 ZINC000422712502 387625709 /nfs/dbraw/zinc/62/57/09/387625709.db2.gz OKAVFHKZACBIHI-UHFFFAOYSA-N 2 0 213.369 1.060 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cccc(N(C)C)c1 ZINC000422711851 387626268 /nfs/dbraw/zinc/62/62/68/387626268.db2.gz HMPMEDLNFSAMLX-LBPRGKRZSA-N 2 0 235.375 1.970 20 0 BDADRP [NH3+]Cc1ccc(C(=O)N[C@H]2CCC[NH2+]CC2)cc1 ZINC000376384515 387626839 /nfs/dbraw/zinc/62/68/39/387626839.db2.gz JSNFFSBDOVKEEU-ZDUSSCGKSA-N 2 0 247.342 1.017 20 0 BDADRP C[C@H]([NH2+]C[C@@]1(C)CCOC1)[C@H]1CCCC[NH2+]1 ZINC000397181241 387549663 /nfs/dbraw/zinc/54/96/63/387549663.db2.gz JBUORPYCKOUSRI-YNEHKIRRSA-N 2 0 226.364 1.533 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH+]1C)[C@@H]1CCCC[C@H]1O ZINC000426266627 387552304 /nfs/dbraw/zinc/55/23/04/387552304.db2.gz ZFJPPVDUMGBDTL-BFHYXJOUSA-N 2 0 240.391 1.706 20 0 BDADRP CC[NH2+]CC1CCN(Cc2ncc(C)o2)CC1 ZINC000430590680 387629779 /nfs/dbraw/zinc/62/97/79/387629779.db2.gz LSHUEKULTNIUBF-UHFFFAOYSA-N 2 0 237.347 1.805 20 0 BDADRP C[C@H](CN[C@H]1C[NH2+]CC[C@H]1C)C[NH+]1CCCC1 ZINC000422723888 387632718 /nfs/dbraw/zinc/63/27/18/387632718.db2.gz STXLVFSJGQZSTD-MCIONIFRSA-N 2 0 239.407 1.306 20 0 BDADRP CC[N@H+](C)CCN[C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422722524 387632846 /nfs/dbraw/zinc/63/28/46/387632846.db2.gz YGAKNUAGHYIKAT-ZFWWWQNUSA-N 2 0 249.402 1.486 20 0 BDADRP Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000422721070 387632906 /nfs/dbraw/zinc/63/29/06/387632906.db2.gz UJIJQLXQNNVIIB-WDEREUQCSA-N 2 0 238.379 1.897 20 0 BDADRP CC[C@@H]([NH2+]C[C@H]1CCCOC1)[C@@H]1CCC[NH2+]1 ZINC000422721129 387633705 /nfs/dbraw/zinc/63/37/05/387633705.db2.gz UPSVUWBXXQZPMR-UPJWGTAASA-N 2 0 226.364 1.533 20 0 BDADRP Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000422721068 387634142 /nfs/dbraw/zinc/63/41/42/387634142.db2.gz UJIJQLXQNNVIIB-MNOVXSKESA-N 2 0 238.379 1.897 20 0 BDADRP COCCC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422728060 387635137 /nfs/dbraw/zinc/63/51/37/387635137.db2.gz DWWZNNKVSAEFDO-WDEREUQCSA-N 2 0 200.326 1.001 20 0 BDADRP CCOCCCC[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422725654 387635221 /nfs/dbraw/zinc/63/52/21/387635221.db2.gz YISKHHNTMZDFRY-OLZOCXBDSA-N 2 0 228.380 1.923 20 0 BDADRP CC[NH+](CC)CCCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000422725051 387636717 /nfs/dbraw/zinc/63/67/17/387636717.db2.gz AGTZEDRQRGKTFK-KBPBESRZSA-N 2 0 241.423 1.696 20 0 BDADRP CCOCCC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422725171 387637104 /nfs/dbraw/zinc/63/71/04/387637104.db2.gz ASIOMHAJHJTEAP-VXGBXAGGSA-N 2 0 214.353 1.663 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCC1CC[NH+](C)CC1 ZINC000422733651 387641523 /nfs/dbraw/zinc/64/15/23/387641523.db2.gz BQOPTWVTRPUSTL-NEPJUHHUSA-N 3 0 227.396 1.434 20 0 BDADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H](C)[NH+](C)C ZINC000422736780 387642330 /nfs/dbraw/zinc/64/23/30/387642330.db2.gz GQQQNFDNMVKPHP-YDHLFZDLSA-N 2 0 249.402 1.485 20 0 BDADRP CC[C@@H]1CCCC[N@@H+]1CCN[C@H](C)C[C@@H](C)[NH3+] ZINC000422734461 387642564 /nfs/dbraw/zinc/64/25/64/387642564.db2.gz SITVRCNSWJENMW-MGPQQGTHSA-N 2 0 241.423 1.966 20 0 BDADRP C[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)N(C)C1CC1 ZINC000422736545 387643639 /nfs/dbraw/zinc/64/36/39/387643639.db2.gz GMQFLEPRSOJFOG-HIFPTAJRSA-N 2 0 239.407 1.576 20 0 BDADRP CCCCOCCC[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422738635 387646655 /nfs/dbraw/zinc/64/66/55/387646655.db2.gz ZBEDJRZWKVIYFX-VXGBXAGGSA-N 2 0 214.353 1.663 20 0 BDADRP Cc1ccccc1OCCC[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422738936 387646774 /nfs/dbraw/zinc/64/67/74/387646774.db2.gz KLTOWQPAAIYHIJ-ZDUSSCGKSA-N 2 0 248.370 1.961 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCc1ccccc1 ZINC000422740592 387648738 /nfs/dbraw/zinc/64/87/38/387648738.db2.gz CBNMVLLNFLRMAR-QEJZJMRPSA-N 2 0 248.370 1.571 20 0 BDADRP CC(C)[N@@H+]1CCC[C@H](CN[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000422745444 387649344 /nfs/dbraw/zinc/64/93/44/387649344.db2.gz VEENQLOZTAADBS-MGPQQGTHSA-N 2 0 239.407 1.576 20 0 BDADRP COCCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000149255255 387650174 /nfs/dbraw/zinc/65/01/74/387650174.db2.gz XGKDXODWOBUAQE-MNOVXSKESA-N 2 0 200.326 1.095 20 0 BDADRP CCCCC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000422746797 387651257 /nfs/dbraw/zinc/65/12/57/387651257.db2.gz OHEBRSFNKYRBIC-QJPTWQEYSA-N 2 0 214.353 1.519 20 0 BDADRP Cc1cc(C)n(CCC[NH2+][C@H]2CCC[C@@H]2[NH3+])n1 ZINC000422752912 387658788 /nfs/dbraw/zinc/65/87/88/387658788.db2.gz HUWPAOVYAJCXDW-STQMWFEESA-N 2 0 236.363 1.359 20 0 BDADRP CSCCCC[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422757372 387660058 /nfs/dbraw/zinc/66/00/58/387660058.db2.gz MQPLYFRCCAJTCV-NXEZZACHSA-N 2 0 202.367 1.599 20 0 BDADRP C[C@@H](NC[C@@H](c1ccccc1)[NH+](C)C)C1C[NH2+]C1 ZINC000422756457 387660828 /nfs/dbraw/zinc/66/08/28/387660828.db2.gz LMWRBPVKFHNMNG-DOMZBBRYSA-N 2 0 247.386 1.487 20 0 BDADRP CC(C)(C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422758330 387661471 /nfs/dbraw/zinc/66/14/71/387661471.db2.gz JIGXQOREUIBAHZ-HBNTYKKESA-N 2 0 214.353 1.253 20 0 BDADRP C[NH2+]CC1CC[NH+](CCCOC(C)C)CC1 ZINC000430923828 387661709 /nfs/dbraw/zinc/66/17/09/387661709.db2.gz GORGMGQJPOQKBK-UHFFFAOYSA-N 2 0 228.380 1.733 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](O)CC(C)(C)C ZINC000422757660 387661968 /nfs/dbraw/zinc/66/19/68/387661968.db2.gz ISIUTWDVDAVSSD-GARJFASQSA-N 2 0 216.369 1.499 20 0 BDADRP CC(C)[NH+](CCN[C@H]1C[NH2+]CC[C@H]1C)C(C)C ZINC000422760893 387663910 /nfs/dbraw/zinc/66/39/10/387663910.db2.gz QOLIZSAHPLEXKQ-KGLIPLIRSA-N 2 0 241.423 1.693 20 0 BDADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@@H](C)C[C@H](C)[NH3+] ZINC000422761491 387664083 /nfs/dbraw/zinc/66/40/83/387664083.db2.gz MQLWNXGQMYPSBI-ZOBORPQBSA-N 2 0 241.423 1.822 20 0 BDADRP CSC[C@H](C)[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422764156 387665307 /nfs/dbraw/zinc/66/53/07/387665307.db2.gz URLJKORSICJFGJ-VWYCJHECSA-N 2 0 216.394 1.716 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@H](CO)Cc1ccccc1 ZINC000422765120 387665491 /nfs/dbraw/zinc/66/54/91/387665491.db2.gz QFXJCLFAVNQIOH-KFWWJZLASA-N 2 0 248.370 1.307 20 0 BDADRP Cc1cc(C)n(CCC[NH2+][C@H](C)C[C@@H](C)[NH3+])n1 ZINC000422764982 387666047 /nfs/dbraw/zinc/66/60/47/387666047.db2.gz VQWIAPYAGDNIPZ-GHMZBOCLSA-N 2 0 238.379 1.605 20 0 BDADRP COC(C)(C)[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000305947041 387668193 /nfs/dbraw/zinc/66/81/93/387668193.db2.gz GVJZDFHBGNTDQC-NWDGAFQWSA-N 2 0 240.391 1.874 20 0 BDADRP C[NH+](C)C[C@](C)(O)C[NH2+]C[C@H]1CC=CCC1 ZINC000125910052 387668260 /nfs/dbraw/zinc/66/82/60/387668260.db2.gz RVPAHAIPHSBGKT-QWHCGFSZSA-N 2 0 226.364 1.245 20 0 BDADRP C[C@@H](N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)C1C[NH2+]C1 ZINC000422769549 387668507 /nfs/dbraw/zinc/66/85/07/387668507.db2.gz VEJLPXUFSGYDJD-FRRDWIJNSA-N 2 0 239.407 1.304 20 0 BDADRP COc1cccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c1 ZINC000422770967 387670093 /nfs/dbraw/zinc/67/00/93/387670093.db2.gz QXFHGSKCZVUICQ-QWRGUYRKSA-N 2 0 222.332 1.911 20 0 BDADRP C[C@H]([NH3+])CCNC(=O)c1ccccc1C[NH+](C)C ZINC000422776413 387673404 /nfs/dbraw/zinc/67/34/04/387673404.db2.gz DLUHAKXYKDECLP-NSHDSACASA-N 2 0 249.358 1.215 20 0 BDADRP CCC[N@H+](CCOCC1CC1)C1CC[NH2+]CC1 ZINC000431072086 387675592 /nfs/dbraw/zinc/67/55/92/387675592.db2.gz DGHKSXQJEZJABK-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP CC1CC[NH+](CCCN[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000422778105 387676257 /nfs/dbraw/zinc/67/62/57/387676257.db2.gz HFTYSYZOGUNCQQ-KBPBESRZSA-N 2 0 239.407 1.578 20 0 BDADRP COC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)C(C)C ZINC000422781695 387680952 /nfs/dbraw/zinc/68/09/52/387680952.db2.gz MILHXGWNGFLXJQ-UPJWGTAASA-N 2 0 228.380 1.635 20 0 BDADRP COC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)C1CC1 ZINC000126503314 387684883 /nfs/dbraw/zinc/68/48/83/387684883.db2.gz VUOFUAHCWHLCLA-OCCSQVGLSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)[C@H]1CCCC[NH2+]1 ZINC000422786352 387685505 /nfs/dbraw/zinc/68/55/05/387685505.db2.gz QFXLAEPQVDCHGK-DGAVXFQQSA-N 2 0 240.391 1.658 20 0 BDADRP CC(C)CCOCC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422786823 387685860 /nfs/dbraw/zinc/68/58/60/387685860.db2.gz SYMOKIQIKZLDAU-NWDGAFQWSA-N 2 0 216.369 1.765 20 0 BDADRP CC(C)[N@@H+]1CCC[C@@H](CN[C@@H](C)C[C@H](C)[NH3+])C1 ZINC000422743797 387691414 /nfs/dbraw/zinc/69/14/14/387691414.db2.gz RWTOWDRIBUDBGW-IHRRRGAJSA-N 2 0 241.423 1.822 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000422863046 387743979 /nfs/dbraw/zinc/74/39/79/387743979.db2.gz QZJBIBJWEPGNMW-UONOGXRCSA-N 2 0 247.386 1.982 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000422863041 387744763 /nfs/dbraw/zinc/74/47/63/387744763.db2.gz QZJBIBJWEPGNMW-KBPBESRZSA-N 2 0 247.386 1.982 20 0 BDADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1CCCOC1 ZINC000422862227 387745188 /nfs/dbraw/zinc/74/51/88/387745188.db2.gz PKHOMEYAYULFLO-QEJZJMRPSA-N 2 0 248.370 1.714 20 0 BDADRP C[C@H]1C[C@@H](N[C@H]2C[NH2+]CC[C@H]2C)C[N@@H+]1C1CC1 ZINC000422871871 387749259 /nfs/dbraw/zinc/74/92/59/387749259.db2.gz ZXQXANVCUAXFRP-CZXHOFHRSA-N 2 0 237.391 1.199 20 0 BDADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H](C)[NH3+])c1 ZINC000643526319 387750341 /nfs/dbraw/zinc/75/03/41/387750341.db2.gz ZGYGTQRNTYSSMT-NWDGAFQWSA-N 2 0 249.358 1.649 20 0 BDADRP CC[C@@H]([NH2+]C[C@@H](CC)CCO)[C@@H]1CCC[NH2+]1 ZINC000422871631 387750606 /nfs/dbraw/zinc/75/06/06/387750606.db2.gz ZGFFYNXRPKUBTP-XQQFMLRXSA-N 2 0 228.380 1.515 20 0 BDADRP C[C@H](N[C@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1CCC[NH2+]1 ZINC000422873819 387751881 /nfs/dbraw/zinc/75/18/81/387751881.db2.gz BFVOKIRQKHPTGC-CRWXNKLISA-N 2 0 237.391 1.343 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@]1(C)CCCS1 ZINC000422873052 387753359 /nfs/dbraw/zinc/75/33/59/387753359.db2.gz JPWNHOBGPIPSTR-HBNTYKKESA-N 2 0 216.394 1.988 20 0 BDADRP [NH3+]CC1CCC([NH2+]C[C@H]2CCCS2)CC1 ZINC000422872458 387753647 /nfs/dbraw/zinc/75/36/47/387753647.db2.gz HFRFCCSSOZOHMF-HTAVTVPLSA-N 2 0 228.405 1.989 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C2CC([NH+](C)C)C2)CCO1 ZINC000521460741 387754810 /nfs/dbraw/zinc/75/48/10/387754810.db2.gz LELZDPJWMQDENI-QKEWWQLBSA-N 2 0 212.337 1.236 20 0 BDADRP CO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422796278 387699937 /nfs/dbraw/zinc/69/99/37/387699937.db2.gz YBEIFGLXSUAMHU-YUSALJHKSA-N 2 0 212.337 1.142 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]CC2=CC[NH2+]CC2)C1 ZINC000643520455 387700876 /nfs/dbraw/zinc/70/08/76/387700876.db2.gz KMDDXDACBLNCIJ-QWHCGFSZSA-N 2 0 224.348 1.453 20 0 BDADRP CC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])C1CCOCC1 ZINC000422802455 387701243 /nfs/dbraw/zinc/70/12/43/387701243.db2.gz BNHJDZZMPFVQPE-LOWVWBTDSA-N 2 0 228.380 1.907 20 0 BDADRP CC(C)C[C@H](CCO)C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000422804888 387701481 /nfs/dbraw/zinc/70/14/81/387701481.db2.gz IFEDIEVIJCCXLO-IHRRRGAJSA-N 2 0 242.407 1.748 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1Cc2ccccc2O1)C1C[NH2+]C1 ZINC000422804938 387703616 /nfs/dbraw/zinc/70/36/16/387703616.db2.gz IMEBPJYTZLOXHP-GWCFXTLKSA-N 2 0 232.327 1.188 20 0 BDADRP CC(C)CCOCC[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000045107833 387706969 /nfs/dbraw/zinc/70/69/69/387706969.db2.gz JNDJICDSFUGCLY-STQMWFEESA-N 2 0 228.380 1.718 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCC1CCCC1 ZINC000422809285 387708067 /nfs/dbraw/zinc/70/80/67/387708067.db2.gz RRTWXIHIIUVAKS-UBHSHLNASA-N 2 0 240.391 1.909 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])C(C)C ZINC000422810020 387708192 /nfs/dbraw/zinc/70/81/92/387708192.db2.gz QTNHNMJYESRHNX-YNEHKIRRSA-N 2 0 228.380 1.907 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CNCC[C@H]1C)C1CC[NH+](C)CC1 ZINC000643521000 387709475 /nfs/dbraw/zinc/70/94/75/387709475.db2.gz WZJFPQVFGLMQFH-YRGRVCCFSA-N 2 0 239.407 1.304 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@]1(C)CCCC[C@H]1O ZINC000422817006 387714639 /nfs/dbraw/zinc/71/46/39/387714639.db2.gz BYOWSWOYKPKSST-RVMXOQNASA-N 2 0 228.380 1.643 20 0 BDADRP CCO[C@@H](CC[NH2+][C@H](C)C1C[NH2+]C1)C(C)C ZINC000422815564 387714672 /nfs/dbraw/zinc/71/46/72/387714672.db2.gz XXCOMHHLWVHWNK-YPMHNXCESA-N 2 0 228.380 1.635 20 0 BDADRP CC(C)C[NH+]1CCC(N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000422817131 387715054 /nfs/dbraw/zinc/71/50/54/387715054.db2.gz GUJCDSSWYHIEMC-STQMWFEESA-N 2 0 241.423 1.822 20 0 BDADRP CCC[N@H+](CC)CCN[C@@H]1CCC[C@H]1[NH3+] ZINC000422817315 387715396 /nfs/dbraw/zinc/71/53/96/387715396.db2.gz CVIXQBNJZTXAFE-VXGBXAGGSA-N 2 0 213.369 1.188 20 0 BDADRP CC(C)C[C@H](CN[C@@H]1CCC[C@@H]1[NH3+])[NH+](C)C ZINC000422820710 387716828 /nfs/dbraw/zinc/71/68/28/387716828.db2.gz RYVQEAZLXUHSHX-FRRDWIJNSA-N 2 0 227.396 1.432 20 0 BDADRP CC(C)C[C@H](CN[C@H]1CCC[C@H]1[NH3+])[NH+](C)C ZINC000422820712 387716950 /nfs/dbraw/zinc/71/69/50/387716950.db2.gz RYVQEAZLXUHSHX-UPJWGTAASA-N 2 0 227.396 1.432 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCSC1 ZINC000422821189 387717837 /nfs/dbraw/zinc/71/78/37/387717837.db2.gz UXJSWDFBCJHCGZ-AEJSXWLSSA-N 2 0 200.351 1.351 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCCSC1)[C@@H]1CCC[NH2+]1 ZINC000422818603 387718037 /nfs/dbraw/zinc/71/80/37/387718037.db2.gz KYAVVZFGFCDWJD-VWYCJHECSA-N 2 0 214.378 1.612 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCCSC1)[C@H]1CCC[NH2+]1 ZINC000422818600 387718089 /nfs/dbraw/zinc/71/80/89/387718089.db2.gz KYAVVZFGFCDWJD-GMTAPVOTSA-N 2 0 214.378 1.612 20 0 BDADRP CC(C)C[C@H](CN[C@H](C)C[C@H](C)[NH3+])[NH+](C)C ZINC000422820794 387718611 /nfs/dbraw/zinc/71/86/11/387718611.db2.gz SFYWYZNACNKXAQ-YNEHKIRRSA-N 2 0 229.412 1.678 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])CCCC[C@H]1O ZINC000422824347 387719541 /nfs/dbraw/zinc/71/95/41/387719541.db2.gz NPIOWDSUJSOMAF-REWJHTLYSA-N 2 0 240.391 1.645 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCOCc1ccccc1 ZINC000422824998 387719693 /nfs/dbraw/zinc/71/96/93/387719693.db2.gz OVRAXVUOGNXEFO-CHWSQXEVSA-N 2 0 236.359 1.919 20 0 BDADRP CCC[N@H+](CC)CCN[C@H](C)C[C@H](C)[NH3+] ZINC000422824118 387719812 /nfs/dbraw/zinc/71/98/12/387719812.db2.gz MYIDCHLRENINNO-NWDGAFQWSA-N 2 0 215.385 1.434 20 0 BDADRP C[C@H]([NH2+]C[C@]1(C)CCCC[C@H]1O)[C@H]1CCC[NH2+]1 ZINC000422826352 387720389 /nfs/dbraw/zinc/72/03/89/387720389.db2.gz QVOCRZRFVRNYCS-DGAVXFQQSA-N 2 0 240.391 1.658 20 0 BDADRP C[C@H](F)CC[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000367523390 387720414 /nfs/dbraw/zinc/72/04/14/387720414.db2.gz OMHBSUAKVDUPMW-GARJFASQSA-N 2 0 200.301 1.228 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])CCCC[C@H]1O ZINC000422823367 387720983 /nfs/dbraw/zinc/72/09/83/387720983.db2.gz LJCPFGUSRQNEKY-UMSGYPCISA-N 2 0 226.364 1.397 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000422834286 387726519 /nfs/dbraw/zinc/72/65/19/387726519.db2.gz NREZZSVEPVHBOF-MBNYWOFBSA-N 2 0 237.391 1.058 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000422837093 387728464 /nfs/dbraw/zinc/72/84/64/387728464.db2.gz LIAHGVHLSAVHFW-UMSGYPCISA-N 2 0 225.380 1.329 20 0 BDADRP C[C@@H](N[C@@H](C)C[NH+]1CCCCC1)[C@H]1CCC[NH2+]1 ZINC000422836695 387728743 /nfs/dbraw/zinc/72/87/43/387728743.db2.gz RSVWBQZQMZQGIB-BFHYXJOUSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCCc2c1cnn2C ZINC000422838555 387728917 /nfs/dbraw/zinc/72/89/17/387728917.db2.gz XMAQHUMKIQWQLF-NHCYSSNCSA-N 2 0 236.363 1.513 20 0 BDADRP C[C@@H]([NH2+]CCCNc1ccccn1)[C@H]1CCC[NH2+]1 ZINC000422837959 387728951 /nfs/dbraw/zinc/72/89/51/387728951.db2.gz NGBLXNRFNWVGRC-CHWSQXEVSA-N 2 0 248.374 1.614 20 0 BDADRP C[C@H](C[NH+]1CCCCC1)N[C@@H](C)C[C@H](C)[NH3+] ZINC000422838088 387729562 /nfs/dbraw/zinc/72/95/62/387729562.db2.gz VZTUCJMTGTXXLE-RWMBFGLXSA-N 2 0 227.396 1.576 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1nccs1 ZINC000422839821 387732409 /nfs/dbraw/zinc/73/24/09/387732409.db2.gz RMFKMTXRUZIBNA-WDEREUQCSA-N 2 0 239.388 1.663 20 0 BDADRP C[C@@H]1OCC[C@H]1[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000527813877 387734168 /nfs/dbraw/zinc/73/41/68/387734168.db2.gz ZLYPBMGDQFPSSP-FPMFFAJLSA-N 2 0 238.375 1.770 20 0 BDADRP CCC1(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])CCC1 ZINC000422847146 387735007 /nfs/dbraw/zinc/73/50/07/387735007.db2.gz HLPHGTCHPUPFMG-FRRDWIJNSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H]1[C@@H](C)[N@H+](C)CCN1CC[C@H]1CCC[NH+]1C ZINC000356968007 387756011 /nfs/dbraw/zinc/75/60/11/387756011.db2.gz AUUAIVGEVCUQSH-MGPQQGTHSA-N 2 0 239.407 1.495 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCCOC1 ZINC000422855594 387737530 /nfs/dbraw/zinc/73/75/30/387737530.db2.gz CODPDARBERRPKO-UTUOFQBUSA-N 2 0 212.337 1.415 20 0 BDADRP C[C@H](NCC[N@@H+]1CCCC[C@H]1C)C1C[NH2+]C1 ZINC000422857396 387741307 /nfs/dbraw/zinc/74/13/07/387741307.db2.gz HIVKSHLLFYIYLF-NEPJUHHUSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccnc1N(C)C ZINC000422859070 387741379 /nfs/dbraw/zinc/74/13/79/387741379.db2.gz JPAKVDVUSRFTBN-WDEREUQCSA-N 2 0 236.363 1.363 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCOC1 ZINC000422856114 387741730 /nfs/dbraw/zinc/74/17/30/387741730.db2.gz DPFROPYQVJFBJI-UTUOFQBUSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NCC[N@@H+]1CCCC[C@H]1C ZINC000422856808 387741789 /nfs/dbraw/zinc/74/17/89/387741789.db2.gz GPHXAMFQOMEBPD-YNEHKIRRSA-N 2 0 227.396 1.576 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)CO[C@H]1CCOC1 ZINC000422858941 387742318 /nfs/dbraw/zinc/74/23/18/387742318.db2.gz GTYOQACOMSOLAU-AGIUHOORSA-N 2 0 244.379 1.288 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCOCC1CC1 ZINC000422892693 387764362 /nfs/dbraw/zinc/76/43/62/387764362.db2.gz ZHBINUHDIVJLOG-STQMWFEESA-N 2 0 226.364 1.663 20 0 BDADRP C[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCC[NH2+]1 ZINC000422894486 387765144 /nfs/dbraw/zinc/76/51/44/387765144.db2.gz CKWBIUWQIOMPDW-XDQVBPFNSA-N 2 0 237.391 1.343 20 0 BDADRP CC[C@H](O)CC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422894351 387765433 /nfs/dbraw/zinc/76/54/33/387765433.db2.gz SYFBSPITXQUFSA-SDDRHHMPSA-N 2 0 214.353 1.125 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(F)cn1 ZINC000422897504 387765881 /nfs/dbraw/zinc/76/58/81/387765881.db2.gz ZVUMFCCOGWAPEE-JTQLQIEISA-N 2 0 225.311 1.828 20 0 BDADRP CC(C)O[C@H]1C[C@H]([NH2+]C[C@H](C)[NH3+])C1(C)C ZINC000643527516 387765987 /nfs/dbraw/zinc/76/59/87/387765987.db2.gz NWAGCCZMUOYEQZ-DCAQKATOSA-N 2 0 214.353 1.515 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000422897805 387766547 /nfs/dbraw/zinc/76/65/47/387766547.db2.gz CXBHBOLGZQBFBY-AGIUHOORSA-N 2 0 225.380 1.330 20 0 BDADRP Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cn1 ZINC000422904419 387767692 /nfs/dbraw/zinc/76/76/92/387767692.db2.gz XKJNFFXXYVPFIQ-ONGXEEELSA-N 2 0 207.321 1.605 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1CCOC1)[C@@H]1CCC[NH2+]1 ZINC000422904103 387767749 /nfs/dbraw/zinc/76/77/49/387767749.db2.gz WZRDWYUNYZHBDX-SRVKXCTJSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCc2ccccc21)C1C[NH2+]C1 ZINC000422911454 387769433 /nfs/dbraw/zinc/76/94/33/387769433.db2.gz SVSGLPZRIYXOGB-WCQYABFASA-N 2 0 230.355 1.914 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCC(F)(F)F ZINC000422917878 387772702 /nfs/dbraw/zinc/77/27/02/387772702.db2.gz FXRHBRALVQRSSG-DTWKUNHWSA-N 2 0 224.270 1.917 20 0 BDADRP C[C@@H](O)CC(C)(C)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422918719 387775917 /nfs/dbraw/zinc/77/59/17/387775917.db2.gz IMKGQFCGSNMSDY-FRRDWIJNSA-N 2 0 242.407 1.904 20 0 BDADRP CC[C@@H](O)CCC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422923812 387777453 /nfs/dbraw/zinc/77/74/53/387777453.db2.gz SPHQPHVFBSXHKP-JHJVBQTASA-N 2 0 228.380 1.658 20 0 BDADRP C[C@@H](O)CC(C)(C)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422926610 387779979 /nfs/dbraw/zinc/77/99/79/387779979.db2.gz XBNZMLWTJJEYIH-WOPDTQHZSA-N 2 0 228.380 1.514 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCOCC(F)(F)F ZINC000422931556 387780563 /nfs/dbraw/zinc/78/05/63/387780563.db2.gz XUOCWPFABBTSIQ-JGVFFNPUSA-N 2 0 228.258 1.281 20 0 BDADRP CS[C@H](C)C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422937197 387782750 /nfs/dbraw/zinc/78/27/50/387782750.db2.gz NVXICCATPZQWCA-GMTAPVOTSA-N 2 0 216.394 1.716 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422901117 387785350 /nfs/dbraw/zinc/78/53/50/387785350.db2.gz BPTVCWJSMAWKDS-RDBSUJKOSA-N 2 0 241.423 1.694 20 0 BDADRP CCC[N@@H+]1CC[C@H](CN[C@@H](C)C[C@@H](C)[NH3+])C1 ZINC000422977959 387789256 /nfs/dbraw/zinc/78/92/56/387789256.db2.gz YCSPWTSFLOUIPL-FRRDWIJNSA-N 2 0 227.396 1.434 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCSCCCO ZINC000422981244 387790833 /nfs/dbraw/zinc/79/08/33/387790833.db2.gz SJNBOTRAXCGDLB-NEPJUHHUSA-N 2 0 246.420 1.080 20 0 BDADRP CC[C@H](CCO)[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422981445 387790929 /nfs/dbraw/zinc/79/09/29/387790929.db2.gz SVCUTSXMPUNFJN-UTUOFQBUSA-N 2 0 214.353 1.125 20 0 BDADRP CC[C@H](CCO)[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422981457 387792297 /nfs/dbraw/zinc/79/22/97/387792297.db2.gz SWQAMIMXFKHZBL-WOPDTQHZSA-N 2 0 214.353 1.268 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@](C)(O)C1CC1 ZINC000422982437 387792959 /nfs/dbraw/zinc/79/29/59/387792959.db2.gz WTQBQBZXBKCTEM-WXHSDQCUSA-N 2 0 226.364 1.125 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCC[C@@H]1CCCC[C@@H]1O ZINC000422988177 387797468 /nfs/dbraw/zinc/79/74/68/387797468.db2.gz IMBYVDJZLGYKME-CRWXNKLISA-N 2 0 240.391 1.787 20 0 BDADRP Cc1cc(C[C@H](C)[NH2+][C@H](C)CCCC[NH3+])[nH]n1 ZINC000422987922 387797599 /nfs/dbraw/zinc/79/75/99/387797599.db2.gz HVEQISBDMOUCNF-MNOVXSKESA-N 2 0 238.379 1.756 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCC[C@@H]1CCCC[C@H]1O ZINC000422988179 387798384 /nfs/dbraw/zinc/79/83/84/387798384.db2.gz IMBYVDJZLGYKME-RFQIPJPRSA-N 2 0 240.391 1.787 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@@H](CO)c1ccccc1 ZINC000422989249 387798696 /nfs/dbraw/zinc/79/86/96/387798696.db2.gz AOVPDNSIVZMDCJ-BFHYXJOUSA-N 2 0 234.343 1.232 20 0 BDADRP Cc1cc(C[C@@H](C)[NH2+][C@H](C)CCCC[NH3+])[nH]n1 ZINC000422987921 387798790 /nfs/dbraw/zinc/79/87/90/387798790.db2.gz HVEQISBDMOUCNF-GHMZBOCLSA-N 2 0 238.379 1.756 20 0 BDADRP CC(C)[C@@H]1C[C@@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)CCO1 ZINC000422990522 387800092 /nfs/dbraw/zinc/80/00/92/387800092.db2.gz NREYJSZINLYVIY-RFGFWPKPSA-N 2 0 240.391 1.920 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CC1(CCO)CCC1 ZINC000422992610 387800135 /nfs/dbraw/zinc/80/01/35/387800135.db2.gz RPDXAAFVFHUOHY-NEPJUHHUSA-N 2 0 226.364 1.256 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2[NH3+])CCO1 ZINC000422990186 387800653 /nfs/dbraw/zinc/80/06/53/387800653.db2.gz NCMPCFDAVOQHOA-VOAKCMCISA-N 2 0 226.364 1.659 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCn1cccn1 ZINC000422993564 387803428 /nfs/dbraw/zinc/80/34/28/387803428.db2.gz RMRQQYFSLCWWFH-NWDGAFQWSA-N 2 0 222.336 1.133 20 0 BDADRP CC(C)[C@H](CN[C@H]1CCC[C@H]1[NH3+])[NH+]1CCCC1 ZINC000422965228 387813636 /nfs/dbraw/zinc/81/36/36/387813636.db2.gz OAANIULYFJDDID-RDBSUJKOSA-N 2 0 239.407 1.576 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCCc1ccccn1 ZINC000423002237 387807549 /nfs/dbraw/zinc/80/75/49/387807549.db2.gz YOZKAPMATMVCAO-TZMCWYRMSA-N 2 0 233.359 1.731 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000423001993 387808127 /nfs/dbraw/zinc/80/81/27/387808127.db2.gz FNGYGIOXNILQJO-AAVRWANBSA-N 2 0 240.391 1.515 20 0 BDADRP CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000442603003 387808648 /nfs/dbraw/zinc/80/86/48/387808648.db2.gz JOYDQIZOSOJPLL-NWDGAFQWSA-N 2 0 241.379 1.091 20 0 BDADRP COc1cccnc1N[C@@H]1CCn2ccnc2C1 ZINC000527965130 387810829 /nfs/dbraw/zinc/81/08/29/387810829.db2.gz FIXIMVHFOBVUPR-SNVBAGLBSA-N 2 0 244.298 1.714 20 0 BDADRP C[C@H](CCc1ccco1)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422961935 387811494 /nfs/dbraw/zinc/81/14/94/387811494.db2.gz DJYZAFODYIEFNC-MNOVXSKESA-N 2 0 222.332 1.798 20 0 BDADRP CC[C@@H](CN[C@@H](C)C1C[NH2+]C1)[NH+]1CCCC1 ZINC000422961207 387811623 /nfs/dbraw/zinc/81/16/23/387811623.db2.gz BDJPIVTVQVETJG-AAEUAGOBSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCOCC1CC1 ZINC000422888310 387760278 /nfs/dbraw/zinc/76/02/78/387760278.db2.gz MOCGFPYGUVJNAI-NXEZZACHSA-N 2 0 200.326 1.128 20 0 BDADRP CC[N@H+](CCN[C@@H](C)C[C@H](C)[NH3+])C(C)C ZINC000422885142 387761539 /nfs/dbraw/zinc/76/15/39/387761539.db2.gz YFPJQLNOBOYSDG-RYUDHWBXSA-N 2 0 215.385 1.432 20 0 BDADRP CC(C)C[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422971215 387821096 /nfs/dbraw/zinc/82/10/96/387821096.db2.gz IHZCOHPNKKBVED-ZGVCCVRISA-N 2 0 226.364 1.266 20 0 BDADRP [NH3+]CC1CCC([NH2+]Cc2ccoc2)CC1 ZINC000422975557 387823013 /nfs/dbraw/zinc/82/30/13/387823013.db2.gz SWVUXNSUNBFVNI-UHFFFAOYSA-N 2 0 208.305 1.887 20 0 BDADRP CC[C@@H](CCO)[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422973567 387823085 /nfs/dbraw/zinc/82/30/85/387823085.db2.gz CCKSKDULOSXXIC-GRYCIOLGSA-N 2 0 214.353 1.268 20 0 BDADRP CC(C)CC[C@@](C)(O)C[NH2+][C@H](C)CCC[NH3+] ZINC000422975283 387823466 /nfs/dbraw/zinc/82/34/66/387823466.db2.gz GLINKGWPFHEDFJ-CHWSQXEVSA-N 2 0 230.396 1.891 20 0 BDADRP CCC[N@@H+]1CC[C@H](CN[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000422974474 387823727 /nfs/dbraw/zinc/82/37/27/387823727.db2.gz RCEZBMWNDJREJI-RDBSUJKOSA-N 2 0 239.407 1.435 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+][C@H](CCO)c1ccccc1 ZINC000422975273 387824099 /nfs/dbraw/zinc/82/40/99/387824099.db2.gz GJJFHHXMGRXEAG-MBNYWOFBSA-N 2 0 236.359 1.826 20 0 BDADRP CCC[C@H](CCO)C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423004143 387826500 /nfs/dbraw/zinc/82/65/00/387826500.db2.gz JIFHZHQLVICQEJ-BFHYXJOUSA-N 2 0 242.407 1.763 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000442714043 387826749 /nfs/dbraw/zinc/82/67/49/387826749.db2.gz KLYJGWPVTLIAHY-WOPDTQHZSA-N 2 0 241.379 1.008 20 0 BDADRP CCC[C@H](CCO)C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000423004144 387827037 /nfs/dbraw/zinc/82/70/37/387827037.db2.gz JIFHZHQLVICQEJ-MCIONIFRSA-N 2 0 242.407 1.763 20 0 BDADRP CC[C@@H]([NH2+]C[C@@H](C)CCO)[C@@H]1CCC[NH2+]1 ZINC000423007129 387828027 /nfs/dbraw/zinc/82/80/27/387828027.db2.gz PWHZFMHQEOVSKP-TUAOUCFPSA-N 2 0 214.353 1.125 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000442719614 387828011 /nfs/dbraw/zinc/82/80/11/387828011.db2.gz RPXOWALFSQICFL-TUAOUCFPSA-N 2 0 241.379 1.090 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000442723752 387830447 /nfs/dbraw/zinc/83/04/47/387830447.db2.gz ZQCWMIYYYBXUBL-QWHCGFSZSA-N 2 0 249.358 1.320 20 0 BDADRP CC(C)[NH+](CCCN[C@H]1CCC[C@H]1[NH3+])C(C)C ZINC000423008745 387831609 /nfs/dbraw/zinc/83/16/09/387831609.db2.gz ULGHJPPLISGANV-KGLIPLIRSA-N 2 0 241.423 1.965 20 0 BDADRP CO[C@@H]1CCC[C@H]1C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423013149 387835233 /nfs/dbraw/zinc/83/52/33/387835233.db2.gz FFENVEBAYRSRKQ-XDQVBPFNSA-N 2 0 240.391 1.922 20 0 BDADRP Cc1cncc(C[NH2+]C2CCC(C[NH3+])CC2)c1 ZINC000423013687 387836609 /nfs/dbraw/zinc/83/66/09/387836609.db2.gz NGZNQLPDYZDLSY-UHFFFAOYSA-N 2 0 233.359 1.997 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000423013347 387836841 /nfs/dbraw/zinc/83/68/41/387836841.db2.gz MQVMORXUNZLODG-YNEHKIRRSA-N 2 0 228.380 1.373 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1CCC[C@H]1OC)[C@@H]1CCC[NH2+]1 ZINC000423012874 387837113 /nfs/dbraw/zinc/83/71/13/387837113.db2.gz DWKSGXCJXDHVCK-XDQVBPFNSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H](CO)CCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423014877 387838093 /nfs/dbraw/zinc/83/80/93/387838093.db2.gz PZQXYSRMPNJULF-GRYCIOLGSA-N 2 0 214.353 1.125 20 0 BDADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCC[C@H]2[NH3+])CCO1 ZINC000423027638 387843368 /nfs/dbraw/zinc/84/33/68/387843368.db2.gz DUAHGIWSTNTKMU-FDYHWXHSSA-N 2 0 226.364 1.661 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H](C)c1nccs1 ZINC000629529784 387873811 /nfs/dbraw/zinc/87/38/11/387873811.db2.gz MYSNANDFXXBBLQ-SECBINFHSA-N 2 0 229.349 1.030 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCCS1 ZINC000423028582 387846199 /nfs/dbraw/zinc/84/61/99/387846199.db2.gz GUDBKGBICJHFHC-MXWKQRLJSA-N 2 0 214.378 1.742 20 0 BDADRP CCC(CC)(C[NH2+][C@H](C)C[C@H](C)[NH3+])C(=O)OC ZINC000423030319 387846936 /nfs/dbraw/zinc/84/69/36/387846936.db2.gz BETLKNBVXCPYOP-WDEREUQCSA-N 2 0 244.379 1.681 20 0 BDADRP C[C@H](N[C@@H]1CCC[N@H+](C)[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423032732 387848007 /nfs/dbraw/zinc/84/80/07/387848007.db2.gz NBGCKNMQVKTMKI-QNWHQSFQSA-N 2 0 225.380 1.199 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000423032678 387849064 /nfs/dbraw/zinc/84/90/64/387849064.db2.gz MYQJUZHBYVZMLA-YIYPIFLZSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H]1[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[N@@H+]1C ZINC000423034156 387849460 /nfs/dbraw/zinc/84/94/60/387849460.db2.gz PMIFKRZYGLBJDQ-BEUHCMRWSA-N 2 0 237.391 1.342 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000423032680 387849780 /nfs/dbraw/zinc/84/97/80/387849780.db2.gz MYQJUZHBYVZMLA-ZOBORPQBSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]1[C@H]([NH2+]C2CCC(C[NH3+])CC2)CCCN1C ZINC000423037690 387850890 /nfs/dbraw/zinc/85/08/90/387850890.db2.gz WQEGRJGSJRHQGX-BLYZHGLHSA-N 3 0 239.407 1.576 20 0 BDADRP c1ccc2c(c1)CCC[C@@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)C2 ZINC000643534343 387852687 /nfs/dbraw/zinc/85/26/87/387852687.db2.gz RYUXYFSFPVFXTL-WCVJEAGWSA-N 2 0 242.366 1.741 20 0 BDADRP CCC(CC)(C[NH2+][C@H]1CCC[C@@H]1[NH3+])C(=O)OC ZINC000423038466 387852740 /nfs/dbraw/zinc/85/27/40/387852740.db2.gz OKBJYIHGIQMTBF-QWRGUYRKSA-N 2 0 242.363 1.435 20 0 BDADRP CCC(CC)(C[NH2+][C@H](C)CCC[NH3+])C(=O)OC ZINC000423040763 387852839 /nfs/dbraw/zinc/85/28/39/387852839.db2.gz VCOURVSOWRYOBH-LLVKDONJSA-N 2 0 244.379 1.683 20 0 BDADRP CC(C)OCC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000423040695 387853851 /nfs/dbraw/zinc/85/38/51/387853851.db2.gz UUDMZGIOCMPYCP-NEPJUHHUSA-N 2 0 214.353 1.661 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000423043317 387855727 /nfs/dbraw/zinc/85/57/27/387855727.db2.gz OIQFHGDNZXPCNK-MCIONIFRSA-N 2 0 240.391 1.923 20 0 BDADRP C(C[C@@H]1CCCCO1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423043985 387855782 /nfs/dbraw/zinc/85/57/82/387855782.db2.gz QIQREQYIMBFIIK-PIGZVRMJSA-N 2 0 238.375 1.818 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1O ZINC000423050002 387859257 /nfs/dbraw/zinc/85/92/57/387859257.db2.gz KTBFDPOZLOTSKL-GWOFURMSSA-N 2 0 200.326 1.005 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC23CC[NH2+]CC3)CN1C1CC1 ZINC000643534766 387860136 /nfs/dbraw/zinc/86/01/36/387860136.db2.gz CJXZNBQFEUPCQG-DYEKYZERSA-N 2 0 249.402 1.343 20 0 BDADRP C[C@H](CN1CCCCCC1)[NH2+][C@@H](C)CCC[NH3+] ZINC000423055453 387862595 /nfs/dbraw/zinc/86/25/95/387862595.db2.gz WCZWQZFLVCRKQH-UONOGXRCSA-N 2 0 241.423 1.968 20 0 BDADRP CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643535301 387863282 /nfs/dbraw/zinc/86/32/82/387863282.db2.gz AVKKSDZZGWKPFP-IJLUTSLNSA-N 2 0 208.349 1.907 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)[C@H]1CCCC[NH2+]1 ZINC000423060342 387864675 /nfs/dbraw/zinc/86/46/75/387864675.db2.gz HVOLBTJFLHMPTI-DGAVXFQQSA-N 2 0 240.391 1.658 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@H]1CCO)[C@@H]1CCCC[NH2+]1 ZINC000423060347 387865653 /nfs/dbraw/zinc/86/56/53/387865653.db2.gz HVOLBTJFLHMPTI-XDQVBPFNSA-N 2 0 240.391 1.658 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCC[C@H]1CCO ZINC000423063503 387866874 /nfs/dbraw/zinc/86/68/74/387866874.db2.gz OUXMMBSYUSVAAY-AGIUHOORSA-N 2 0 228.380 1.645 20 0 BDADRP CC1(C)CC[C@@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643536257 387867231 /nfs/dbraw/zinc/86/72/31/387867231.db2.gz PHZPKGDKEYIFLJ-QWRGUYRKSA-N 2 0 208.349 1.907 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000423063415 387867264 /nfs/dbraw/zinc/86/72/64/387867264.db2.gz WLJFBNGFSUUADW-VJTDZRGJSA-N 2 0 238.375 1.804 20 0 BDADRP C[C@@H](Cc1ccoc1)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643536225 387867946 /nfs/dbraw/zinc/86/79/46/387867946.db2.gz OQHYONDNWHVRBW-AAEUAGOBSA-N 2 0 234.343 1.942 20 0 BDADRP CC[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)C1CC1 ZINC000643536750 387868490 /nfs/dbraw/zinc/86/84/90/387868490.db2.gz WGZHLSOKSCXEOH-NEPJUHHUSA-N 2 0 208.349 1.907 20 0 BDADRP CO[C@@H]1CC[C@H]([NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000423066429 387869360 /nfs/dbraw/zinc/86/93/60/387869360.db2.gz DOQZEWSXLYRVNA-IFWUJCSASA-N 2 0 226.364 1.661 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C(C)C)C(C)(C)O ZINC000423068192 387870142 /nfs/dbraw/zinc/87/01/42/387870142.db2.gz BDAOGAYSWFMMEE-NEPJUHHUSA-N 2 0 246.395 1.125 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCCC[C@@H]1O ZINC000423067548 387870378 /nfs/dbraw/zinc/87/03/78/387870378.db2.gz ZPMVCNVVMSGOSS-SRVKXCTJSA-N 2 0 214.353 1.397 20 0 BDADRP CCOC1CC(CC[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000423071783 387872321 /nfs/dbraw/zinc/87/23/21/387872321.db2.gz OVHWMRNRFDCEOV-GFJIZPEISA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H](NC[C@H]1CCCC[N@@H+]1C1CC1)C1C[NH2+]C1 ZINC000423069740 387872556 /nfs/dbraw/zinc/87/25/56/387872556.db2.gz BSKUBOJFAWAYJV-BXUZGUMPSA-N 2 0 237.391 1.201 20 0 BDADRP CC[C@@H](CN[C@H](C)[C@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000422964885 387813684 /nfs/dbraw/zinc/81/36/84/387813684.db2.gz MYWUHQHYJYPNBQ-HZSPNIEDSA-N 2 0 239.407 1.591 20 0 BDADRP COc1ccc([C@H](CO)N(C)C[C@@H](C)[NH3+])cc1 ZINC000442665826 387814439 /nfs/dbraw/zinc/81/44/39/387814439.db2.gz QWDRQGIGEFHECZ-MFKMUULPSA-N 2 0 238.331 1.008 20 0 BDADRP C[C@@H]([NH3+])CN(CCO)[C@@H]1CCc2ccccc21 ZINC000442659064 387814813 /nfs/dbraw/zinc/81/48/13/387814813.db2.gz ARGNDOZCTKVJBJ-BXUZGUMPSA-N 2 0 234.343 1.315 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(CO)c(F)c1 ZINC000422965408 387816569 /nfs/dbraw/zinc/81/65/69/387816569.db2.gz OMYOGJCOKGPQAM-JTQLQIEISA-N 2 0 240.322 1.535 20 0 BDADRP C[C@H]([NH3+])CN(CCc1ccccc1)[C@H]1CCOC1 ZINC000442667710 387819320 /nfs/dbraw/zinc/81/93/20/387819320.db2.gz ZRHADJBFIMNLRI-ZFWWWQNUSA-N 2 0 248.370 1.667 20 0 BDADRP CCC[C@@H](C)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000194537239 387889961 /nfs/dbraw/zinc/88/99/61/387889961.db2.gz WYJFWWXPDCLPQG-UPJWGTAASA-N 2 0 210.365 1.916 20 0 BDADRP C[C@@H]([NH2+]C[C@H](CO)CC1CCCC1)C1C[NH2+]C1 ZINC000423105567 387890790 /nfs/dbraw/zinc/89/07/90/387890790.db2.gz QULBNGUEXVFMNO-DGCLKSJQSA-N 2 0 240.391 1.373 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCOC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000423109689 387894063 /nfs/dbraw/zinc/89/40/63/387894063.db2.gz NZXIYQRIBCLMJB-FVCCEPFGSA-N 2 0 226.364 1.389 20 0 BDADRP CCSCCC[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000423116966 387897891 /nfs/dbraw/zinc/89/78/91/387897891.db2.gz SGGHRPCKKFBVEQ-ZJUUUORDSA-N 2 0 202.367 1.599 20 0 BDADRP Cc1cccc(C[C@H](CO)[NH2+][C@H](C)C2C[NH2+]C2)c1 ZINC000423075330 387875251 /nfs/dbraw/zinc/87/52/51/387875251.db2.gz WQJATDZDBOIHRC-IUODEOHRSA-N 2 0 248.370 1.096 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]CCC2CC(O)C2)c2ccccc21 ZINC000423078418 387876679 /nfs/dbraw/zinc/87/66/79/387876679.db2.gz VZZPAAKLNQNSRF-RLNQVHQUSA-N 2 0 246.354 1.882 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCCCCO ZINC000423082864 387878366 /nfs/dbraw/zinc/87/83/66/387878366.db2.gz DXCYNHBRRVJDJQ-VXGBXAGGSA-N 2 0 214.353 1.399 20 0 BDADRP C[C@H]([NH2+]C[C@@](C)(O)C1CCCCC1)C1C[NH2+]C1 ZINC000423083886 387878921 /nfs/dbraw/zinc/87/89/21/387878921.db2.gz ZJEPPFDPBDLPQO-SMDDNHRTSA-N 2 0 240.391 1.515 20 0 BDADRP COC1CCC(C)(C[NH2+][C@@H](C)C2C[NH2+]C2)CC1 ZINC000423083738 387878928 /nfs/dbraw/zinc/87/89/28/387878928.db2.gz GOOFYRKJWILWKX-XGNXJENSSA-N 2 0 240.391 1.779 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423083192 387879545 /nfs/dbraw/zinc/87/95/45/387879545.db2.gz FMYJULMJNQJKGA-BFHYXJOUSA-N 2 0 241.423 1.694 20 0 BDADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CN[C@H]1CCC[C@H]1[NH3+] ZINC000423085866 387880743 /nfs/dbraw/zinc/88/07/43/387880743.db2.gz LRQXJGFSGHBOSB-AGIUHOORSA-N 2 0 239.407 1.576 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@@H]1CCSC1 ZINC000423085836 387881102 /nfs/dbraw/zinc/88/11/02/387881102.db2.gz LONNPJNWOXWDAL-QJPTWQEYSA-N 2 0 228.405 1.989 20 0 BDADRP Cc1cscc1C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000423090152 387882639 /nfs/dbraw/zinc/88/26/39/387882639.db2.gz UPEGQUYZGMAYHS-SECBINFHSA-N 2 0 210.346 1.754 20 0 BDADRP CSC1(C[NH2+][C@@H](C)C2C[NH2+]C2)CCC1 ZINC000423091910 387882717 /nfs/dbraw/zinc/88/27/17/387882717.db2.gz ZOPAEUZZNZUVIQ-VIFPVBQESA-N 2 0 214.378 1.470 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000423092663 387883552 /nfs/dbraw/zinc/88/35/52/387883552.db2.gz CVZYWRJJCALVSS-OPRDCNLKSA-N 2 0 218.291 1.891 20 0 BDADRP CCC[N@@H+]1CCC[C@H]1CN[C@H]1CCC[C@H]1[NH3+] ZINC000423115940 387898684 /nfs/dbraw/zinc/89/86/84/387898684.db2.gz ZBXBHQWHMJXBMF-XQQFMLRXSA-N 2 0 225.380 1.330 20 0 BDADRP CC(C)SCC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423104540 387888489 /nfs/dbraw/zinc/88/84/89/387888489.db2.gz HDYQUCHWUFYREU-VHSXEESVSA-N 2 0 204.383 1.843 20 0 BDADRP CC(C)SCC[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423104539 387888605 /nfs/dbraw/zinc/88/86/05/387888605.db2.gz HDYQUCHWUFYREU-UWVGGRQHSA-N 2 0 204.383 1.843 20 0 BDADRP CC(C)[N@@H+](C)C[C@H](C)N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423120412 387900153 /nfs/dbraw/zinc/90/01/53/387900153.db2.gz GLBKPGAOWRIHRY-AVGNSLFASA-N 2 0 227.396 1.445 20 0 BDADRP CC(C)[N@@H+](C)C[C@H](C)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000423119462 387900545 /nfs/dbraw/zinc/90/05/45/387900545.db2.gz CKLIUTQPKVLITO-WOPDTQHZSA-N 2 0 215.385 1.431 20 0 BDADRP CC(C)[N@@H+](C)C[C@H](C)N[C@@H](C)C[C@H](C)[NH3+] ZINC000423119459 387900766 /nfs/dbraw/zinc/90/07/66/387900766.db2.gz CKLIUTQPKVLITO-SRVKXCTJSA-N 2 0 215.385 1.431 20 0 BDADRP CC[C@H](O)C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423124370 387902248 /nfs/dbraw/zinc/90/22/48/387902248.db2.gz GIVDECJWIQWPFF-FPMFFAJLSA-N 2 0 236.359 1.305 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCC[C@@H](CO)C1)[C@@H]1CCC[NH2+]1 ZINC000423125157 387902359 /nfs/dbraw/zinc/90/23/59/387902359.db2.gz NCMWIJAEARGBMI-RQJABVFESA-N 2 0 240.391 1.515 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000423125645 387905380 /nfs/dbraw/zinc/90/53/80/387905380.db2.gz NQHOQUMEMJZFQU-GMTAPVOTSA-N 2 0 202.317 1.984 20 0 BDADRP CCCC[N@H+](C)C[C@@H](C)N[C@H](C)[C@H]1CCC[NH2+]1 ZINC000423129429 387907110 /nfs/dbraw/zinc/90/71/10/387907110.db2.gz XAHBDMJPFGQXQI-MGPQQGTHSA-N 2 0 241.423 1.837 20 0 BDADRP C[C@H](F)CC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000423131761 387908945 /nfs/dbraw/zinc/90/89/45/387908945.db2.gz ILXQYKAYUCXGMR-DCAQKATOSA-N 2 0 202.317 1.842 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC1CC(F)(F)C1 ZINC000423131539 387909775 /nfs/dbraw/zinc/90/97/75/387909775.db2.gz OCFUBGUKKXZKIS-SFYZADRCSA-N 2 0 206.280 1.747 20 0 BDADRP COc1ccncc1C[NH2+][C@H](C)CCCC[NH3+] ZINC000423132483 387909891 /nfs/dbraw/zinc/90/98/91/387909891.db2.gz PFNVVCPODVBMJM-LLVKDONJSA-N 2 0 237.347 1.697 20 0 BDADRP COCC(C)(C)CCC[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000423133689 387911749 /nfs/dbraw/zinc/91/17/49/387911749.db2.gz VVQPONYZOHYDDL-VXGBXAGGSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H](CO)C1CCCCC1 ZINC000423133417 387912314 /nfs/dbraw/zinc/91/23/14/387912314.db2.gz KIQWJEVQDUQLIM-SCRDCRAPSA-N 2 0 242.407 1.891 20 0 BDADRP CC[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)C(C)(C)O ZINC000423135301 387914301 /nfs/dbraw/zinc/91/43/01/387914301.db2.gz NLBIWWXCFJQCPK-OUAUKWLOSA-N 2 0 214.353 1.266 20 0 BDADRP CC[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)C(C)(C)O ZINC000423135300 387914731 /nfs/dbraw/zinc/91/47/31/387914731.db2.gz NLBIWWXCFJQCPK-HBNTYKKESA-N 2 0 214.353 1.266 20 0 BDADRP COc1ncccc1CC[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423139031 387916962 /nfs/dbraw/zinc/91/69/62/387916962.db2.gz JZWXPBDPEXRWAH-QWRGUYRKSA-N 2 0 237.347 1.348 20 0 BDADRP COC[C@](C)(O)CC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423147949 387925244 /nfs/dbraw/zinc/92/52/44/387925244.db2.gz UCWWMTAPCFJLDG-YNEHKIRRSA-N 2 0 244.379 1.024 20 0 BDADRP CC[C@@H]([NH2+]CC[C@H](C)CCO)[C@@H]1CCC[NH2+]1 ZINC000423147351 387925942 /nfs/dbraw/zinc/92/59/42/387925942.db2.gz RUFMSFQSDIOCTN-XQQFMLRXSA-N 2 0 228.380 1.515 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000423149801 387927875 /nfs/dbraw/zinc/92/78/75/387927875.db2.gz XWJWBTGENFMPSZ-DBIOUOCHSA-N 2 0 200.301 1.594 20 0 BDADRP C[C@@H]([NH2+]CCC[C@@H]1CCOC1)[C@@H]1CCC[NH2+]1 ZINC000423168200 387951807 /nfs/dbraw/zinc/95/18/07/387951807.db2.gz XPRADVCYWJSPAB-UPJWGTAASA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCC[C@H]1O ZINC000423167035 387952510 /nfs/dbraw/zinc/95/25/10/387952510.db2.gz RUHMOQDRRYRKSS-IGQOVBAYSA-N 2 0 240.391 1.800 20 0 BDADRP CCO[C@@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423167560 387952672 /nfs/dbraw/zinc/95/26/72/387952672.db2.gz SIILSLMRJDZNDO-QZQCMHJZSA-N 2 0 238.375 1.817 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000423167468 387952738 /nfs/dbraw/zinc/95/27/38/387952738.db2.gz WSKKRJKITNHRSL-AVGNSLFASA-N 2 0 226.364 1.615 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424223325 387938231 /nfs/dbraw/zinc/93/82/31/387938231.db2.gz LHMFUNXDPWIAKA-CQSZACIVSA-N 2 0 249.358 1.910 20 0 BDADRP Cc1ccc(F)c(CC[NH2+][C@H](C)C2C[NH2+]C2)c1 ZINC000423158913 387939149 /nfs/dbraw/zinc/93/91/49/387939149.db2.gz XJUSWNFVRPGDLE-LLVKDONJSA-N 2 0 236.334 1.874 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@H](C)CCCC[NH3+])C1 ZINC000423159097 387939566 /nfs/dbraw/zinc/93/95/66/387939566.db2.gz FHNVTBUHVFCCAJ-UTUOFQBUSA-N 2 0 214.353 1.661 20 0 BDADRP CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)CCC[NH3+] ZINC000423160827 387940531 /nfs/dbraw/zinc/94/05/31/387940531.db2.gz IALATLXEEVACNJ-IJLUTSLNSA-N 2 0 214.353 1.661 20 0 BDADRP CC[C@H](C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)OC ZINC000423160936 387942192 /nfs/dbraw/zinc/94/21/92/387942192.db2.gz RIYWSVOWDJHTJZ-BEUHCMRWSA-N 2 0 240.391 1.920 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000423162767 387942844 /nfs/dbraw/zinc/94/28/44/387942844.db2.gz PZYKIPCOHVDZGY-RQJABVFESA-N 2 0 240.391 1.787 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)[C@@H]([NH3+])C(C)(C)C)c1 ZINC000424233160 387943187 /nfs/dbraw/zinc/94/31/87/387943187.db2.gz FHCCOSIMIGZEEZ-GFCCVEGCSA-N 2 0 249.358 1.766 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000423162766 387943983 /nfs/dbraw/zinc/94/39/83/387943983.db2.gz PZYKIPCOHVDZGY-RFGFWPKPSA-N 2 0 240.391 1.787 20 0 BDADRP C[C@@H]([NH2+]CCC[C@H]1CCOC1)[C@H]1CCCC[NH2+]1 ZINC000423162842 387945811 /nfs/dbraw/zinc/94/58/11/387945811.db2.gz QJWCYJUMVYYGKB-HZSPNIEDSA-N 2 0 240.391 1.923 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@H+](CC2=CCCC2)C1 ZINC000645802330 387946220 /nfs/dbraw/zinc/94/62/20/387946220.db2.gz CSBJDWWEPDRLOP-ZDUSSCGKSA-N 2 0 208.349 1.980 20 0 BDADRP C[C@H](CC(C)(C)O)[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000423165446 387948269 /nfs/dbraw/zinc/94/82/69/387948269.db2.gz XXTJBVLGEKRCCY-TUAOUCFPSA-N 2 0 228.380 1.514 20 0 BDADRP COCC[C@H](C)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423165601 387948878 /nfs/dbraw/zinc/94/88/78/387948878.db2.gz BGUSJERKBAFARG-QJPTWQEYSA-N 2 0 214.353 1.389 20 0 BDADRP COCC1(C[NH2+][C@H]2CCC[C@H]2[NH3+])CCCC1 ZINC000423166595 387949970 /nfs/dbraw/zinc/94/99/70/387949970.db2.gz RFDFOIKCICSXAJ-NEPJUHHUSA-N 2 0 226.364 1.663 20 0 BDADRP COCC1(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)CCCC1 ZINC000423166238 387950230 /nfs/dbraw/zinc/95/02/30/387950230.db2.gz RBCCVXNXBXNZLW-CHWSQXEVSA-N 2 0 240.391 1.923 20 0 BDADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])C1 ZINC000423166230 387950264 /nfs/dbraw/zinc/95/02/64/387950264.db2.gz QZIISFOYKGVMDD-KKOKHZNYSA-N 2 0 214.353 1.658 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1NCCC(F)(F)F ZINC000424277776 387950457 /nfs/dbraw/zinc/95/04/57/387950457.db2.gz AVHGUCHPUQEDAK-HTQZYQBOSA-N 2 0 210.243 1.798 20 0 BDADRP COCC1(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)CCCC1 ZINC000423166240 387950547 /nfs/dbraw/zinc/95/05/47/387950547.db2.gz RBCCVXNXBXNZLW-QWHCGFSZSA-N 2 0 240.391 1.923 20 0 BDADRP CCn1ccnc1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000423166021 387950920 /nfs/dbraw/zinc/95/09/20/387950920.db2.gz YYHQTLIMIFRIGU-UHFFFAOYSA-N 2 0 236.363 1.510 20 0 BDADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)[C@H]1C[C@H]1C ZINC000321140183 387951439 /nfs/dbraw/zinc/95/14/39/387951439.db2.gz VCZYUSSGCRETCA-MCIONIFRSA-N 2 0 239.407 1.258 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000423172954 387959336 /nfs/dbraw/zinc/95/93/36/387959336.db2.gz WCLFXXPBXNESNO-MGPQQGTHSA-N 3 0 239.407 1.435 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H]1C)[C@H]1CCCC[NH2+]1 ZINC000423176497 387961203 /nfs/dbraw/zinc/96/12/03/387961203.db2.gz GCQWOMJNJXVTCQ-XVIXHAIJSA-N 2 0 240.391 1.920 20 0 BDADRP C[C@H]1CCC[C@@H]([NH+]2CCC(NCC[NH3+])CC2)C1 ZINC000423175212 387961543 /nfs/dbraw/zinc/96/15/43/387961543.db2.gz DKTHSXAZPKUWQE-GXTWGEPZSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@H](CO)C1)[C@@H]1CCCC[NH2+]1 ZINC000423175236 387961686 /nfs/dbraw/zinc/96/16/86/387961686.db2.gz DMIXETXWUMXWIN-XUXIUFHCSA-N 2 0 240.391 1.658 20 0 BDADRP CN(CC[NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccccc1 ZINC000424302564 387962793 /nfs/dbraw/zinc/96/27/93/387962793.db2.gz ZXIHHONTWZLEME-HUUCEWRRSA-N 2 0 247.386 1.982 20 0 BDADRP CCOC[C@H]1CC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000245599170 387964078 /nfs/dbraw/zinc/96/40/78/387964078.db2.gz IHPXWKKVGKMWRH-UONOGXRCSA-N 2 0 240.391 1.829 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCC[C@H]1CCO ZINC000245581643 387964350 /nfs/dbraw/zinc/96/43/50/387964350.db2.gz CPJFBVIWRCCDNV-KBPBESRZSA-N 2 0 240.391 1.708 20 0 BDADRP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H](O)C(C)C ZINC000423179207 387966828 /nfs/dbraw/zinc/96/68/28/387966828.db2.gz JFEZYOUJDDYFBG-AEBFUODCSA-N 2 0 240.391 1.655 20 0 BDADRP CCC[C@H]([NH2+]CCC[NH3+])c1ccccn1 ZINC000423182752 387967998 /nfs/dbraw/zinc/96/79/98/387967998.db2.gz HAIOITSALSICGA-NSHDSACASA-N 2 0 207.321 1.861 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@H](CO)C1)[C@H]1CCC[NH2+]1 ZINC000423188025 387971842 /nfs/dbraw/zinc/97/18/42/387971842.db2.gz PXMQFUQJIJENSZ-ZDEQEGDKSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000423170509 387957354 /nfs/dbraw/zinc/95/73/54/387957354.db2.gz MHUBNZMAIHLXKY-LLVKDONJSA-N 3 0 232.331 1.551 20 0 BDADRP COc1ncc([C@H](C)[NH2+]CCC[NH3+])cc1Cl ZINC000423190749 387975822 /nfs/dbraw/zinc/97/58/22/387975822.db2.gz OCQKZKIYMPADSR-QMMMGPOBSA-N 2 0 243.738 1.743 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000423191368 387976245 /nfs/dbraw/zinc/97/62/45/387976245.db2.gz SRFCNEKEYDCIDB-UJPOAAIJSA-N 2 0 226.364 1.530 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]CCC[NH2+]C)C12CCCC2 ZINC000423202216 387987692 /nfs/dbraw/zinc/98/76/92/387987692.db2.gz QHVZLNJOZAGVPF-QWHCGFSZSA-N 2 0 240.391 1.923 20 0 BDADRP CC1(C)CCC[C@H]([NH2+]CCN2CC[NH2+]CC2)C1 ZINC000423201392 387988053 /nfs/dbraw/zinc/98/80/53/387988053.db2.gz INSUNXZDDCUONU-ZDUSSCGKSA-N 2 0 239.407 1.450 20 0 BDADRP C[N@H+](CC[C@H]1CCCC[NH+]1C)CC1(CO)CC1 ZINC000446068177 387993054 /nfs/dbraw/zinc/99/30/54/387993054.db2.gz FDNLHTFBEDACMY-CYBMUJFWSA-N 2 0 240.391 1.565 20 0 BDADRP CCOC[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[NH2+]C1 ZINC000423207735 387993966 /nfs/dbraw/zinc/99/39/66/387993966.db2.gz DJSMQJHWLUEVMV-SDDRHHMPSA-N 2 0 212.337 1.143 20 0 BDADRP CC(C)OCC[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424340672 387982965 /nfs/dbraw/zinc/98/29/65/387982965.db2.gz YOXMSEHOIYWBHK-GHMZBOCLSA-N 2 0 200.326 1.271 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](O)C2(C)C)CCN1C ZINC000245929916 387995756 /nfs/dbraw/zinc/99/57/56/387995756.db2.gz IBEFBALSOPUBCD-WISYIIOYSA-N 2 0 226.364 1.218 20 0 BDADRP C[NH2+]CCCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423201810 387987207 /nfs/dbraw/zinc/98/72/07/387987207.db2.gz PRMSPBSHIPKOAE-BFHYXJOUSA-N 2 0 239.407 1.496 20 0 BDADRP C[C@@H](NC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCC[NH2+]1 ZINC000423214870 387997043 /nfs/dbraw/zinc/99/70/43/387997043.db2.gz PUGYRBNEUYADPU-UPJWGTAASA-N 2 0 225.380 1.106 20 0 BDADRP FCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[NH2+]C1 ZINC000423215134 387997860 /nfs/dbraw/zinc/99/78/60/387997860.db2.gz NLKILTPBWONLSC-SRVKXCTJSA-N 2 0 214.328 1.856 20 0 BDADRP COC[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)C(C)C ZINC000156551830 387998780 /nfs/dbraw/zinc/99/87/80/387998780.db2.gz FQEGEXYBEFFCNQ-XQQFMLRXSA-N 2 0 228.380 1.730 20 0 BDADRP COC[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000423217093 387998983 /nfs/dbraw/zinc/99/89/83/387998983.db2.gz SVMSTYPRUDFORY-OCCSQVGLSA-N 2 0 240.391 1.781 20 0 BDADRP COCCC[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000423218661 387999874 /nfs/dbraw/zinc/99/98/74/387999874.db2.gz SFGPWMJKNDVCMX-AVGNSLFASA-N 2 0 228.380 1.779 20 0 BDADRP C[C@H]([NH3+])CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000423225282 388007661 /nfs/dbraw/zinc/00/76/61/388007661.db2.gz MBHVUGDSAHSBBK-RVMXOQNASA-N 2 0 225.380 1.186 20 0 BDADRP CCC1(CC)[C@H]([NH2+]CC[C@H](C)[NH3+])C[C@@H]1OC ZINC000423227615 388011449 /nfs/dbraw/zinc/01/14/49/388011449.db2.gz WJXBWLIMSBZZRW-TUAOUCFPSA-N 2 0 228.380 1.907 20 0 BDADRP COc1ccc([C@@H](C)[NH2+]CC[C@H](C)[NH3+])cc1O ZINC000423227858 388013006 /nfs/dbraw/zinc/01/30/06/388013006.db2.gz XIGPOCPOQSUUMP-VHSXEESVSA-N 2 0 238.331 1.789 20 0 BDADRP CC[C@H]([NH2+]CC[C@H](C)[NH3+])C1(C(=O)OC)CCC1 ZINC000423228398 388013193 /nfs/dbraw/zinc/01/31/93/388013193.db2.gz ZLROMBISVFFDIM-QWRGUYRKSA-N 2 0 242.363 1.435 20 0 BDADRP Cc1ccnc([C@H](C)[NH2+]CC[C@@H](C)[NH3+])c1 ZINC000423228288 388013371 /nfs/dbraw/zinc/01/33/71/388013371.db2.gz YZLPMYNUXSNLKS-MNOVXSKESA-N 2 0 207.321 1.778 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)[C@H]1CCCC[NH2+]1 ZINC000423238446 388023014 /nfs/dbraw/zinc/02/30/14/388023014.db2.gz AKEWJBHMQKWAEU-FRRDWIJNSA-N 3 0 225.380 1.106 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)[C@@H]1CCCC[NH2+]1 ZINC000423238450 388023083 /nfs/dbraw/zinc/02/30/83/388023083.db2.gz AKEWJBHMQKWAEU-XQQFMLRXSA-N 3 0 225.380 1.106 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1[C@@H](C)[C@H](OC)C1(C)C ZINC000423266174 388044379 /nfs/dbraw/zinc/04/43/79/388044379.db2.gz CYJIOESYAFTMEY-QCNOEVLYSA-N 2 0 228.380 1.491 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H]([NH3+])c1ccccc1 ZINC000423254101 388035437 /nfs/dbraw/zinc/03/54/37/388035437.db2.gz XCYIHHKLBGNCAY-YUELXQCFSA-N 2 0 247.386 1.664 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](Cc2cccnc2)CC1 ZINC000082474672 388035403 /nfs/dbraw/zinc/03/54/03/388035403.db2.gz LPNPWACMNNKINN-NSHDSACASA-N 2 0 219.332 1.641 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccn(C)n1 ZINC000423255631 388036618 /nfs/dbraw/zinc/03/66/18/388036618.db2.gz AKHHDPNJLBFJQV-VXGBXAGGSA-N 2 0 236.363 1.460 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000423255944 388036652 /nfs/dbraw/zinc/03/66/52/388036652.db2.gz AZLCAOILMVFPTN-QJPTWQEYSA-N 2 0 214.353 1.247 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423256081 388036790 /nfs/dbraw/zinc/03/67/90/388036790.db2.gz DJTGVOPWYRTZPQ-RDBSUJKOSA-N 3 0 239.407 1.306 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000423263048 388040865 /nfs/dbraw/zinc/04/08/65/388040865.db2.gz ALYYWSMUJOZNFT-YVECIDJPSA-N 2 0 227.396 1.288 20 0 BDADRP CC(C)C[C@H](C[NH3+])N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000423264265 388042689 /nfs/dbraw/zinc/04/26/89/388042689.db2.gz PRTNANDUMCWNTP-SCRDCRAPSA-N 2 0 239.407 1.432 20 0 BDADRP COCC[C@@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446884569 388042749 /nfs/dbraw/zinc/04/27/49/388042749.db2.gz PLNXATKXYCXNCQ-GFCCVEGCSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423245398 388027983 /nfs/dbraw/zinc/02/79/83/388027983.db2.gz ITGZTIVIVAKOSF-MBNYWOFBSA-N 2 0 237.391 1.058 20 0 BDADRP COCC1CCC([NH2+]CC[C@@H]2CC[NH2+]C2)CC1 ZINC000423245729 388028330 /nfs/dbraw/zinc/02/83/30/388028330.db2.gz JHRVVNBIAAPXJP-HSBZDZAISA-N 2 0 240.391 1.781 20 0 BDADRP Cn1ncc2c1CCC[C@H]2[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423246037 388029629 /nfs/dbraw/zinc/02/96/29/388029629.db2.gz JRCFLLHVRCSJGT-DGCLKSJQSA-N 2 0 248.374 1.387 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC[C@@H]([NH3+])c1ccccc1 ZINC000423246472 388029798 /nfs/dbraw/zinc/02/97/98/388029798.db2.gz KCVFCUZBPNBVKW-GMXVVIOVSA-N 2 0 221.348 1.402 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@H]([NH3+])c1ccccc1 ZINC000423249332 388031909 /nfs/dbraw/zinc/03/19/09/388031909.db2.gz ORRZXNSMHJUKDK-KKUMJFAQSA-N 2 0 247.386 1.794 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1CCCc2c1cnn2C ZINC000423273567 388053969 /nfs/dbraw/zinc/05/39/69/388053969.db2.gz LDAYVGPPGHDSGF-ZYHUDNBSSA-N 2 0 236.363 1.243 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423281998 388063451 /nfs/dbraw/zinc/06/34/51/388063451.db2.gz VQOGWZBXOPCZST-MGPQQGTHSA-N 2 0 233.359 1.704 20 0 BDADRP CCC([NH3+])(CC)C[NH2+][C@@H](C)[C@H](C)OC ZINC000423282216 388064364 /nfs/dbraw/zinc/06/43/64/388064364.db2.gz CLFXMKJIZFPLCG-UWVGGRQHSA-N 2 0 202.342 1.517 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)C1CCOCC1 ZINC000423284668 388067362 /nfs/dbraw/zinc/06/73/62/388067362.db2.gz YRGKTKIMAMHYRH-GHMZBOCLSA-N 2 0 214.353 1.247 20 0 BDADRP CCOC(=O)[C@@H](CC)[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000084105442 388072148 /nfs/dbraw/zinc/07/21/48/388072148.db2.gz YZAVCDUROPQYMN-ZYHUDNBSSA-N 2 0 242.363 1.387 20 0 BDADRP CCOC(=O)[C@@H](CC)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000084105467 388072296 /nfs/dbraw/zinc/07/22/96/388072296.db2.gz BITQYMXXLXTMAY-VXGBXAGGSA-N 2 0 242.363 1.389 20 0 BDADRP CCC([NH3+])(CC)C[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000423288340 388072545 /nfs/dbraw/zinc/07/25/45/388072545.db2.gz RTPYHRZIJWVNPD-NEPJUHHUSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCC(C)(C)[NH3+] ZINC000423288389 388073717 /nfs/dbraw/zinc/07/37/17/388073717.db2.gz RXUARIXMAQIVQZ-YPMHNXCESA-N 2 0 235.375 1.272 20 0 BDADRP C[C@H]1OCC[C@@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453406485 388074451 /nfs/dbraw/zinc/07/44/51/388074451.db2.gz RDCWABWWZCFEDZ-YPMHNXCESA-N 2 0 226.364 1.628 20 0 BDADRP Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cn1 ZINC000084221733 388075284 /nfs/dbraw/zinc/07/52/84/388075284.db2.gz VCKJGWHCNOEEHO-OLZOCXBDSA-N 2 0 219.332 1.607 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@H](C)c1c[nH+]ccc1N ZINC000423293731 388075552 /nfs/dbraw/zinc/07/55/52/388075552.db2.gz AQMRIRDJLGIHBJ-GHMZBOCLSA-N 2 0 236.363 1.662 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1NCCC[NH+]1CCCC1 ZINC000084218091 388075606 /nfs/dbraw/zinc/07/56/06/388075606.db2.gz MIPFEITWWJWLJV-QWHCGFSZSA-N 2 0 225.380 1.189 20 0 BDADRP C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)[C@@H]1CCC[NH2+]1 ZINC000423293151 388075795 /nfs/dbraw/zinc/07/57/95/388075795.db2.gz PZHKECAGRXWNQK-ZOWXZIJZSA-N 2 0 247.386 1.936 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@H]1CCC[C@@H]1C[NH3+] ZINC000423294472 388077374 /nfs/dbraw/zinc/07/73/74/388077374.db2.gz CBUIWYVCYCIZGH-UTUOFQBUSA-N 2 0 213.369 1.221 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@H]1CCC[C@H]1C[NH3+] ZINC000423294471 388077573 /nfs/dbraw/zinc/07/75/73/388077573.db2.gz CBUIWYVCYCIZGH-TUAOUCFPSA-N 2 0 213.369 1.221 20 0 BDADRP C(C[N@@H+]1CCO[C@H]2CCC[C@@H]21)[C@@H]1CC[NH2+]C1 ZINC000084385519 388078234 /nfs/dbraw/zinc/07/82/34/388078234.db2.gz HVSZJRVVXBQCTK-AVGNSLFASA-N 2 0 224.348 1.239 20 0 BDADRP COc1cccc2c1CC[C@@H]2[NH2+]C[C@H](C)C[NH3+] ZINC000423297298 388079078 /nfs/dbraw/zinc/07/90/78/388079078.db2.gz JRKCQDAVKVCULF-MFKMUULPSA-N 2 0 234.343 1.867 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@H]1CCCCC[C@@H]1[NH3+] ZINC000423297772 388080315 /nfs/dbraw/zinc/08/03/15/388080315.db2.gz LUZRTBNYJCMJHA-AGIUHOORSA-N 2 0 227.396 1.754 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1O)[C@@H]1CCC[NH2+]1 ZINC000400326233 388115916 /nfs/dbraw/zinc/11/59/16/388115916.db2.gz CJPFSDRMOHPKLP-ZDEQEGDKSA-N 2 0 226.364 1.268 20 0 BDADRP C[NH+](C)[C@H](CN[C@@H]1CC[NH2+]C1)c1cccs1 ZINC000086725521 388107487 /nfs/dbraw/zinc/10/74/87/388107487.db2.gz IIWNOHOMNFVYTP-GHMZBOCLSA-N 2 0 239.388 1.302 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1cn[nH]c1 ZINC000423268373 388047799 /nfs/dbraw/zinc/04/77/99/388047799.db2.gz GEJMWJOHWPKDGG-WDEREUQCSA-N 2 0 222.336 1.450 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]1 ZINC000423272308 388050686 /nfs/dbraw/zinc/05/06/86/388050686.db2.gz JUOMCJIJPVSXPK-RWMBFGLXSA-N 3 0 225.380 1.106 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H](C)CCO)[C@@H](C)C1 ZINC000449359904 388181549 /nfs/dbraw/zinc/18/15/49/388181549.db2.gz RUSDXVGJACMTOD-RDBSUJKOSA-N 2 0 242.407 1.715 20 0 BDADRP CC[NH+](CC)CC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000449666255 388250494 /nfs/dbraw/zinc/25/04/94/388250494.db2.gz DMQMNJRNTCUTAM-UHFFFAOYSA-N 2 0 247.342 1.570 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000449408924 388197156 /nfs/dbraw/zinc/19/71/56/388197156.db2.gz QAORMCRJFLMFKF-BZPMIXESSA-N 2 0 240.391 1.467 20 0 BDADRP CCN1C[C@@H](C)[C@H]([NH2+][C@H]2CC[C@@H](CO)C2)C1 ZINC000449423657 388201588 /nfs/dbraw/zinc/20/15/88/388201588.db2.gz BFMVCWBKJDMEPD-FVCCEPFGSA-N 2 0 226.364 1.077 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H]2CC[C@@H](CO)C2)CC1 ZINC000449430144 388203478 /nfs/dbraw/zinc/20/34/78/388203478.db2.gz WOVOWKWGXQNNDS-OCCSQVGLSA-N 2 0 240.391 1.611 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000449534495 388226378 /nfs/dbraw/zinc/22/63/78/388226378.db2.gz MGLZTPHZILEVOP-NEPJUHHUSA-N 2 0 241.379 1.104 20 0 BDADRP COCCC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000084478473 256565356 /nfs/dbraw/zinc/56/53/56/256565356.db2.gz AXVBYDHWYZOFFZ-UHFFFAOYSA-N 2 0 212.337 1.098 20 0 BDADRP CO[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)C[C@H]1C ZINC000451568690 388282009 /nfs/dbraw/zinc/28/20/09/388282009.db2.gz NYSOUUOTGZKZGV-HZSPNIEDSA-N 2 0 240.391 1.828 20 0 BDADRP CC[NH+](CC)CCCN1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000451625068 388285854 /nfs/dbraw/zinc/28/58/54/388285854.db2.gz OSPYMCIZGXFHMF-UONOGXRCSA-N 2 0 239.407 1.354 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000516580283 388355780 /nfs/dbraw/zinc/35/57/80/388355780.db2.gz FNOBWWPJRWKRQF-YPMHNXCESA-N 3 0 225.380 1.188 20 0 BDADRP COCC[C@@H](C)[NH2+]C[C@@H]1CCCN1CCOC ZINC000163430951 388361511 /nfs/dbraw/zinc/36/15/11/388361511.db2.gz BFOQBLCIRWHZCE-OLZOCXBDSA-N 2 0 244.379 1.112 20 0 BDADRP C[C@H]([NH3+])CCC(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000646467424 388362714 /nfs/dbraw/zinc/36/27/14/388362714.db2.gz HYDGBDJBPJODRM-NWDGAFQWSA-N 2 0 241.379 1.057 20 0 BDADRP C[C@@H](C[NH3+])NCc1ccccc1OC(F)F ZINC000235139374 388365266 /nfs/dbraw/zinc/36/52/66/388365266.db2.gz BMGCMUTTZYPCIH-QMMMGPOBSA-N 2 0 230.258 1.725 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)CO ZINC000086500951 388368092 /nfs/dbraw/zinc/36/80/92/388368092.db2.gz LLWSBTZKBUWYNG-WOPDTQHZSA-N 2 0 214.353 1.268 20 0 BDADRP Cc1nc(C)c([C@H](C)N[C@H](C)C[NH3+])s1 ZINC000235459667 388369834 /nfs/dbraw/zinc/36/98/34/388369834.db2.gz XVPLYDGFPCSYHV-RQJHMYQMSA-N 2 0 213.350 1.758 20 0 BDADRP C[NH2+]Cc1ccccc1NC(=O)C[N@H+](C)C(C)C ZINC000237125148 388390148 /nfs/dbraw/zinc/39/01/48/388390148.db2.gz FRCQGVKLPVBJMF-UHFFFAOYSA-N 2 0 249.358 1.685 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000300965007 388395704 /nfs/dbraw/zinc/39/57/04/388395704.db2.gz PYNJJRIFSKPJHT-UWVGGRQHSA-N 2 0 218.291 1.702 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]C[C@H]1CCCCO1 ZINC000300864654 388399445 /nfs/dbraw/zinc/39/94/45/388399445.db2.gz PTWFLDSUKLTPNM-VXGBXAGGSA-N 2 0 226.364 1.533 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000300864650 388399621 /nfs/dbraw/zinc/39/96/21/388399621.db2.gz PTWFLDSUKLTPNM-NWDGAFQWSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCCc2occc21 ZINC000336706174 388465553 /nfs/dbraw/zinc/46/55/53/388465553.db2.gz RJUAAILWMCQACC-MWLCHTKSSA-N 2 0 208.305 1.841 20 0 BDADRP CN(C[C@H](O)C[N@H+](C)CC1CCCC1)C1CC1 ZINC000336723562 388468547 /nfs/dbraw/zinc/46/85/47/388468547.db2.gz UDHADHVTLWILAK-CQSZACIVSA-N 2 0 240.391 1.564 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCCN1C)c1cn[nH]c1 ZINC000296045481 388417468 /nfs/dbraw/zinc/41/74/68/388417468.db2.gz QWNHLWWXYMNBRD-GXSJLCMTSA-N 2 0 208.309 1.155 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](O)C1CCC1 ZINC000316806821 388421343 /nfs/dbraw/zinc/42/13/43/388421343.db2.gz SQHCWBCXNUQSCH-JQWIXIFHSA-N 2 0 214.353 1.255 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NCC[NH3+] ZINC000307596967 388424077 /nfs/dbraw/zinc/42/40/77/388424077.db2.gz MYWILWJLRKCTRR-JSGCOSHPSA-N 2 0 233.359 1.055 20 0 BDADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@@H](CC(C)C)C1 ZINC000573213040 388433190 /nfs/dbraw/zinc/43/31/90/388433190.db2.gz TVNYUCQZQVWYAC-UONOGXRCSA-N 2 0 242.407 1.715 20 0 BDADRP CC[NH+]1CCC([NH2+]CC(C)(C)C(C)(C)O)CC1 ZINC000393604227 388435105 /nfs/dbraw/zinc/43/51/05/388435105.db2.gz WZYBTINNWYVAAH-UHFFFAOYSA-N 2 0 242.407 1.857 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@](C)(CC)OC)CC1 ZINC000322508268 388436799 /nfs/dbraw/zinc/43/67/99/388436799.db2.gz IDZJDFLROOWJAK-ZDUSSCGKSA-N 2 0 228.380 1.875 20 0 BDADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@@H]1CC1(C)C ZINC000397594458 388482460 /nfs/dbraw/zinc/48/24/60/388482460.db2.gz COASDONWYIQMNK-RYUDHWBXSA-N 2 0 240.391 1.467 20 0 BDADRP CN(CCC[NH3+])C(=O)c1cccc(C[NH+](C)C)c1 ZINC000646782385 388501482 /nfs/dbraw/zinc/50/14/82/388501482.db2.gz UJCOCQJCBAWYIH-UHFFFAOYSA-N 2 0 249.358 1.169 20 0 BDADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccncc1 ZINC000344298621 388505918 /nfs/dbraw/zinc/50/59/18/388505918.db2.gz CRGNZAJZXPLPGU-GFCCVEGCSA-N 2 0 231.343 1.994 20 0 BDADRP C[C@H](Cn1ccnc1)[NH2+][C@H]1CCn2ccnc21 ZINC000345354926 388513529 /nfs/dbraw/zinc/51/35/29/388513529.db2.gz SOMOMKNGMAUFQG-MNOVXSKESA-N 2 0 231.303 1.203 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]CC2CC[NH2+]CC2)c2ccccc21 ZINC000516921190 388524959 /nfs/dbraw/zinc/52/49/59/388524959.db2.gz JHULSIHMJJOJQI-LSDHHAIUSA-N 3 0 245.370 1.720 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@H](OC)c2ccccc2)C1 ZINC000379217967 388599942 /nfs/dbraw/zinc/59/99/42/388599942.db2.gz OZFREJGGQSBXTC-ZFWWWQNUSA-N 2 0 248.370 1.915 20 0 BDADRP C[C@H]([NH2+]CCC[NH+](C)C)[C@@H]1CCCCO1 ZINC000379276428 388604273 /nfs/dbraw/zinc/60/42/73/388604273.db2.gz ZVASANHKHHWWOT-RYUDHWBXSA-N 2 0 214.353 1.485 20 0 BDADRP C[C@@H]([NH2+]CCC[NH+](C)C)[C@H]1CCCCO1 ZINC000379276429 388605024 /nfs/dbraw/zinc/60/50/24/388605024.db2.gz ZVASANHKHHWWOT-VXGBXAGGSA-N 2 0 214.353 1.485 20 0 BDADRP C[C@H]1C[C@H](N(C)CC(C)(C)[NH3+])CC[N@@H+]1C ZINC000261584835 135225924 /nfs/dbraw/zinc/22/59/24/135225924.db2.gz QBGLPVOWVIQHCW-WDEREUQCSA-N 2 0 213.369 1.138 20 0 BDADRP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000528757992 388567126 /nfs/dbraw/zinc/56/71/26/388567126.db2.gz DNAZBQWXDKXHNG-ODXJTPSBSA-N 2 0 240.391 1.872 20 0 BDADRP CC[NH+](CC)CCC[NH+]1CCC(CCO)CC1 ZINC000549140044 388573265 /nfs/dbraw/zinc/57/32/65/388573265.db2.gz UHZXCHLOTFLDFO-UHFFFAOYSA-N 2 0 242.407 1.813 20 0 BDADRP Cc1cnccc1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000385061546 388573912 /nfs/dbraw/zinc/57/39/12/388573912.db2.gz UMRSQPAGKXKTSU-DGCLKSJQSA-N 2 0 219.332 1.559 20 0 BDADRP CC[C@H]1CCC[C@H]([NH2+]CCN(CC)CCO)C1 ZINC000184548249 388576601 /nfs/dbraw/zinc/57/66/01/388576601.db2.gz YGBOKBOHIPGFCM-KBPBESRZSA-N 2 0 242.407 1.859 20 0 BDADRP C[C@H](CC[NH+](C)C)NC(=O)CCCC[NH+](C)C ZINC000552118558 388670194 /nfs/dbraw/zinc/67/01/94/388670194.db2.gz MWGWVOPGPSCLOF-GFCCVEGCSA-N 2 0 243.395 1.175 20 0 BDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)C[NH2+]C2CC2)cc1 ZINC000521610721 388618667 /nfs/dbraw/zinc/61/86/67/388618667.db2.gz OJLGPPWCTRSGQL-SNVBAGLBSA-N 2 0 247.342 1.075 20 0 BDADRP CCn1cc(CN[C@H]2CC[NH2+]C23CCC3)cn1 ZINC000530178340 388621453 /nfs/dbraw/zinc/62/14/53/388621453.db2.gz KJEYUSZBMPCRHF-LBPRGKRZSA-N 2 0 234.347 1.277 20 0 BDADRP O[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000328344912 388625269 /nfs/dbraw/zinc/62/52/69/388625269.db2.gz LWIRWLIWONEWIF-RFQIPJPRSA-N 2 0 238.375 1.079 20 0 BDADRP COc1ccc(CC[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)cn1 ZINC000530221873 388632894 /nfs/dbraw/zinc/63/28/94/388632894.db2.gz PIFLHQBXFJIOSO-DGCLKSJQSA-N 2 0 249.358 1.220 20 0 BDADRP C(C[N@@H+]1CCO[C@H]2CCC[C@H]21)[C@H]1CC[NH2+]C1 ZINC000251086984 388641615 /nfs/dbraw/zinc/64/16/15/388641615.db2.gz HVSZJRVVXBQCTK-UPJWGTAASA-N 2 0 224.348 1.239 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](CC)COC)C1 ZINC000247017775 388658094 /nfs/dbraw/zinc/65/80/94/388658094.db2.gz LPHFMGBGUXOLAQ-CHWSQXEVSA-N 2 0 228.380 1.733 20 0 BDADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)[C@H]1CCOC1 ZINC000249987649 388735541 /nfs/dbraw/zinc/73/55/41/388735541.db2.gz NCRFDDAQEFVWAA-NEPJUHHUSA-N 2 0 212.337 1.097 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCN(C3CC3)C2)C1 ZINC000250660255 388738540 /nfs/dbraw/zinc/73/85/40/388738540.db2.gz POWJVUFHJJXYND-UTUOFQBUSA-N 2 0 223.364 1.083 20 0 BDADRP CC[NH+](CC)CCN[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000128184281 388740102 /nfs/dbraw/zinc/74/01/02/388740102.db2.gz MXMFYHINECXIKU-QWHCGFSZSA-N 2 0 239.407 1.543 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](C[C@H]2CCCOC2)C1 ZINC000251529482 388748552 /nfs/dbraw/zinc/74/85/52/388748552.db2.gz XLMCKLCVFNAMPS-NWDGAFQWSA-N 2 0 212.337 1.084 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cccc(CO)c2)C1 ZINC000227454443 388751518 /nfs/dbraw/zinc/75/15/18/388751518.db2.gz IDCHZVLGQNBJRM-ZIAGYGMSSA-N 2 0 234.343 1.538 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cccc(CO)c2)C1 ZINC000227454468 388751575 /nfs/dbraw/zinc/75/15/75/388751575.db2.gz IDCHZVLGQNBJRM-KBPBESRZSA-N 2 0 234.343 1.538 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(CCO)CC2)[C@@H](C)C1 ZINC000249777571 388733448 /nfs/dbraw/zinc/73/34/48/388733448.db2.gz CJLGCCPOVOYNCQ-STQMWFEESA-N 2 0 240.391 1.469 20 0 BDADRP C[C@@H]1CCC[N@H+](CCOCC[NH3+])[C@H]1C ZINC000252122241 388760709 /nfs/dbraw/zinc/76/07/09/388760709.db2.gz JNVGUBHXAMGNHE-MNOVXSKESA-N 2 0 200.326 1.082 20 0 BDADRP C[C@@H]1OCC[C@H]1[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000252687879 388770420 /nfs/dbraw/zinc/77/04/20/388770420.db2.gz MNSMIPQVNFKLDU-QJPTWQEYSA-N 2 0 212.337 1.095 20 0 BDADRP CSCCC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252708994 388772364 /nfs/dbraw/zinc/77/23/64/388772364.db2.gz BRSSLEOLPLRENC-GHMZBOCLSA-N 2 0 216.394 1.669 20 0 BDADRP CCOCCCC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252710640 388772923 /nfs/dbraw/zinc/77/29/23/388772923.db2.gz HGOGWEQAJWXORT-CHWSQXEVSA-N 2 0 228.380 1.733 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000252780013 388783248 /nfs/dbraw/zinc/78/32/48/388783248.db2.gz MAACSOSLJVWSMA-QJPTWQEYSA-N 2 0 212.337 1.286 20 0 BDADRP CN(CC[NH2+]C(C)(C)C)Cc1c[nH]cn1 ZINC000163051710 388828968 /nfs/dbraw/zinc/82/89/68/388828968.db2.gz DWOZSQRPPCSAHS-UHFFFAOYSA-N 2 0 210.325 1.230 20 0 BDADRP C[C@@H]1C[C@@H](NCCC[NH+](C)C)CC[N@@H+]1C ZINC000129553732 388851496 /nfs/dbraw/zinc/85/14/96/388851496.db2.gz XSCJRQGGNYXKLC-NEPJUHHUSA-N 2 0 213.369 1.010 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](O)C2(C)C)CN1C1CC1 ZINC000129611133 388857948 /nfs/dbraw/zinc/85/79/48/388857948.db2.gz NYRIPBGDFWQECE-DNIRFERGSA-N 2 0 238.375 1.361 20 0 BDADRP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000564827804 388891363 /nfs/dbraw/zinc/89/13/63/388891363.db2.gz INSVDASERKJOPR-RDBSUJKOSA-N 2 0 240.391 1.923 20 0 BDADRP CC[NH2+]CCC[NH2+][C@H](C)C1CCOCC1 ZINC000566088391 388984658 /nfs/dbraw/zinc/98/46/58/388984658.db2.gz KSSMMSBVMKSEJF-LLVKDONJSA-N 2 0 214.353 1.391 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCCOCC(F)(F)F ZINC000566089264 388986986 /nfs/dbraw/zinc/98/69/86/388986986.db2.gz PNDWNFQSAYWIRL-DTWKUNHWSA-N 2 0 240.269 1.425 20 0 BDADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]CC2(O)CCC2)C1 ZINC000566112326 388987900 /nfs/dbraw/zinc/98/79/00/388987900.db2.gz MTZLWPDQXVOVFK-ZDUSSCGKSA-N 2 0 240.391 1.469 20 0 BDADRP COCCCCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400518713 533232762 /nfs/dbraw/zinc/23/27/62/533232762.db2.gz NTQMRQVHLKHITI-RYUDHWBXSA-N 2 0 214.353 1.533 20 0 BDADRP C[C@@H]([NH2+]CCC(C)(C)CO)[C@@H]1CCC[NH2+]1 ZINC000400752694 533372218 /nfs/dbraw/zinc/37/22/18/533372218.db2.gz WDEBHTSKPRAJSK-MNOVXSKESA-N 2 0 214.353 1.125 20 0 BDADRP CO[C@@H]1CC[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000300056924 533416386 /nfs/dbraw/zinc/41/63/86/533416386.db2.gz WMSUZVHOTOKHIO-GRYCIOLGSA-N 2 0 212.337 1.095 20 0 BDADRP CSCCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400494528 533572506 /nfs/dbraw/zinc/57/25/06/533572506.db2.gz HBWLCYPPVQEDRL-VHSXEESVSA-N 2 0 202.367 1.470 20 0 BDADRP CSCCC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400494524 533572187 /nfs/dbraw/zinc/57/21/87/533572187.db2.gz HBWLCYPPVQEDRL-NXEZZACHSA-N 2 0 202.367 1.470 20 0 BDADRP C[NH2+]CC1CCN(c2cc[nH+]cc2C)CC1 ZINC000070047610 132229866 /nfs/dbraw/zinc/22/98/66/132229866.db2.gz QCOQDDVWRCXBOF-UHFFFAOYSA-N 2 0 219.332 1.826 20 0 BDADRP CCc1noc(C)c1CN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000336022274 134056105 /nfs/dbraw/zinc/05/61/05/134056105.db2.gz JYIJRXUYCVDQQZ-RYUDHWBXSA-N 2 0 249.358 1.587 20 0 BDADRP C[C@H]1NCC[N@H+](CCC2CC[NH2+]CC2)[C@@H]1C ZINC000336079460 134074085 /nfs/dbraw/zinc/07/40/85/134074085.db2.gz KNKFFXWEJKGFQW-VXGBXAGGSA-N 2 0 225.380 1.058 20 0 BDADRP CC[C@@H](F)CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000336125079 134092610 /nfs/dbraw/zinc/09/26/10/134092610.db2.gz ZPOLEWSTYKDLMH-NEPJUHHUSA-N 2 0 214.328 1.762 20 0 BDADRP C[C@H]1CC[N@H+](CCOc2ccccc2)C[C@@H]1C[NH3+] ZINC000167762476 134153864 /nfs/dbraw/zinc/15/38/64/134153864.db2.gz HCKZWULLMOEZIX-KBPBESRZSA-N 2 0 248.370 1.982 20 0 BDADRP Cn1ccc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000300416712 134228542 /nfs/dbraw/zinc/22/85/42/134228542.db2.gz VLVZQTSHFOAMGE-KGLIPLIRSA-N 2 0 248.374 1.179 20 0 BDADRP C[C@H]1CCC[C@H](C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000085282115 134274490 /nfs/dbraw/zinc/27/44/90/134274490.db2.gz USOUBFKDIALJKA-XDQVBPFNSA-N 2 0 222.376 1.964 20 0 BDADRP CC(C)C[C@@H](C)[NH2+]CCOCC[NH+](C)C ZINC000219316472 134281302 /nfs/dbraw/zinc/28/13/02/134281302.db2.gz ZOPQSNFSXMMOAI-GFCCVEGCSA-N 2 0 216.369 1.589 20 0 BDADRP CC(C)C1CC([NH2+]CCOCC[NH+](C)C)C1 ZINC000219306442 134281568 /nfs/dbraw/zinc/28/15/68/134281568.db2.gz LLRWFHIXJOVOSM-UHFFFAOYSA-N 2 0 228.380 1.589 20 0 BDADRP CCn1ccnc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177760785 134299816 /nfs/dbraw/zinc/29/98/16/134299816.db2.gz QJNAIWZBJPNPTR-CYBMUJFWSA-N 2 0 248.374 1.573 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000178411302 134309936 /nfs/dbraw/zinc/30/99/36/134309936.db2.gz ATYFRXGGEPGGJH-SKDRFNHKSA-N 2 0 233.315 1.397 20 0 BDADRP C[C@H]([NH3+])CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000178641093 134312486 /nfs/dbraw/zinc/31/24/86/134312486.db2.gz MBEOLDYJPOGCJL-NSHDSACASA-N 2 0 249.358 1.215 20 0 BDADRP CCOC[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000178973574 134314304 /nfs/dbraw/zinc/31/43/04/134314304.db2.gz OOIONAVOTFADRX-AWEZNQCLSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)CCCO1 ZINC000179243093 134318540 /nfs/dbraw/zinc/31/85/40/134318540.db2.gz WSHGXOGVRNIDLX-STQMWFEESA-N 2 0 226.364 1.582 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCN2CCCC[C@@H]12 ZINC000222022942 134329115 /nfs/dbraw/zinc/32/91/15/134329115.db2.gz DLZNKUWRCQXJRF-LOWDOPEQSA-N 2 0 226.364 1.626 20 0 BDADRP C[C@H]([NH3+])CC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000224899912 134348902 /nfs/dbraw/zinc/34/89/02/134348902.db2.gz KRBIYCWSKXRIRN-RYUDHWBXSA-N 2 0 241.379 1.104 20 0 BDADRP CCN(CCC[NH+](C)C)C(=O)[C@H](C[NH3+])C(C)C ZINC000230705445 134533854 /nfs/dbraw/zinc/53/38/54/134533854.db2.gz LMUIVBVDXZCUPK-GFCCVEGCSA-N 2 0 243.395 1.018 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCCC[C@@H]1C ZINC000234700758 134583173 /nfs/dbraw/zinc/58/31/73/134583173.db2.gz ZRONFRWEKQALTR-AVGNSLFASA-N 2 0 228.380 1.909 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN(C)CCC[NH2+]C ZINC000086188485 134593319 /nfs/dbraw/zinc/59/33/19/134593319.db2.gz SSGMTLAPFKISEP-GFCCVEGCSA-N 2 0 213.369 1.012 20 0 BDADRP CC[C@@](C)(CO)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000130319714 134618441 /nfs/dbraw/zinc/61/84/41/134618441.db2.gz SQKBERFASLNFHN-ZDUSSCGKSA-N 2 0 228.380 1.610 20 0 BDADRP CO[C@@H](C)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000248439411 135008855 /nfs/dbraw/zinc/00/88/55/135008855.db2.gz UCXHGHSCVIZLOD-KBPBESRZSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000249088647 135032217 /nfs/dbraw/zinc/03/22/17/135032217.db2.gz JUWYQFPONZWPOL-RFGFWPKPSA-N 2 0 240.391 1.874 20 0 BDADRP COCCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250442163 135055084 /nfs/dbraw/zinc/05/50/84/135055084.db2.gz BCBUIKCBMWKLRF-OLZOCXBDSA-N 2 0 226.364 1.629 20 0 BDADRP Cn1cc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000250628247 135057120 /nfs/dbraw/zinc/05/71/20/135057120.db2.gz ZMGNWTREFRXLQG-KBPBESRZSA-N 2 0 248.374 1.179 20 0 BDADRP C[C@H](CCO)[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000251177963 135065291 /nfs/dbraw/zinc/06/52/91/135065291.db2.gz GPGGIUXHDOHASW-YVECIDJPSA-N 2 0 226.364 1.268 20 0 BDADRP O[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251214570 135065834 /nfs/dbraw/zinc/06/58/34/135065834.db2.gz LQGUNSNPUSZUJB-ZOBORPQBSA-N 2 0 238.375 1.506 20 0 BDADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)C[C@H]1CCOC1 ZINC000251285222 135068081 /nfs/dbraw/zinc/06/80/81/135068081.db2.gz FELMBQAYNXJPKN-NEPJUHHUSA-N 2 0 214.353 1.328 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)O1 ZINC000251919957 135081015 /nfs/dbraw/zinc/08/10/15/135081015.db2.gz UOSWVQVZQOZHBW-FVCCEPFGSA-N 2 0 226.364 1.626 20 0 BDADRP CC(C)[N@H+](CCOCC[NH3+])Cc1cccs1 ZINC000086435513 135084140 /nfs/dbraw/zinc/08/41/40/135084140.db2.gz VPXXNSDGKPWCMZ-UHFFFAOYSA-N 2 0 242.388 1.934 20 0 BDADRP CCOCCC[N@H+](C)CC(C)(C)C[NH3+] ZINC000086638098 135091533 /nfs/dbraw/zinc/09/15/33/135091533.db2.gz AIQDVKXOKBSHHH-UHFFFAOYSA-N 2 0 202.342 1.330 20 0 BDADRP C[N@H+](CC[C@H]1CCCO1)CC1CC[NH2+]CC1 ZINC000086702815 135095669 /nfs/dbraw/zinc/09/56/69/135095669.db2.gz QSHMIBQSVNTFDV-CYBMUJFWSA-N 2 0 226.364 1.487 20 0 BDADRP CCSCCN1CCC[C@H](C)[C@H]1C[NH3+] ZINC000252686181 135097243 /nfs/dbraw/zinc/09/72/43/135097243.db2.gz JGFHZTVZSZUCKB-WDEREUQCSA-N 2 0 216.394 1.799 20 0 BDADRP C[C@H](CO)[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000252703274 135097902 /nfs/dbraw/zinc/09/79/02/135097902.db2.gz PNDZPQWNBJDJML-MROQNXINSA-N 2 0 226.364 1.220 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H](C)[C@@H](C)O)CC1 ZINC000087128984 135107557 /nfs/dbraw/zinc/10/75/57/135107557.db2.gz HIXTZXJSBQGDNL-GHMZBOCLSA-N 2 0 214.353 1.220 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000252765628 135108095 /nfs/dbraw/zinc/10/80/95/135108095.db2.gz FWEUKUPVMIDZJJ-VZLIPTOUSA-N 2 0 232.327 1.898 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@H]2O)c2ccccc21 ZINC000252783676 135109597 /nfs/dbraw/zinc/10/95/97/135109597.db2.gz NZWFOZASLSXFEW-OADPDTJPSA-N 2 0 246.354 1.882 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@H]21 ZINC000252848346 135112789 /nfs/dbraw/zinc/11/27/89/135112789.db2.gz GNMZVQZSKOPIIK-AAVRWANBSA-N 2 0 238.375 1.472 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000252959048 135117730 /nfs/dbraw/zinc/11/77/30/135117730.db2.gz LRUYEFBXEIFNMJ-XQHREUISSA-N 2 0 208.349 1.857 20 0 BDADRP C[C@@H]1C[C@H]1C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000253140405 135122205 /nfs/dbraw/zinc/12/22/05/135122205.db2.gz WNZASHWHQKJURP-LPWJVIDDSA-N 2 0 210.365 1.997 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(O)CCCCC1 ZINC000253178618 135123202 /nfs/dbraw/zinc/12/32/02/135123202.db2.gz CAXDQOZPOIJOLC-QWHCGFSZSA-N 2 0 240.391 1.611 20 0 BDADRP C[N@H+](CCOCC1CC1)C[C@]1(C)CC[NH2+]C1 ZINC000087399820 135128681 /nfs/dbraw/zinc/12/86/81/135128681.db2.gz AQGZXKOLZPIKNN-CYBMUJFWSA-N 2 0 226.364 1.344 20 0 BDADRP CN(C[C@H]1CCC[N@H+](C)C1)C[C@H]1CCC[NH2+]C1 ZINC000258945225 135136189 /nfs/dbraw/zinc/13/61/89/135136189.db2.gz IEVYYTKYJDFZBR-KBPBESRZSA-N 2 0 239.407 1.260 20 0 BDADRP C[C@@H]([NH3+])CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000257760433 135141523 /nfs/dbraw/zinc/14/15/23/135141523.db2.gz VJHSJANYUGJRMP-OLZOCXBDSA-N 2 0 225.380 1.284 20 0 BDADRP C[NH2+]CCC[N@H+](C)CC[C@@H]1CCCO1 ZINC000087472623 135143419 /nfs/dbraw/zinc/14/34/19/135143419.db2.gz ZCINQJHQCAUOLJ-NSHDSACASA-N 2 0 200.326 1.097 20 0 BDADRP C[C@]1(F)CCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261528753 135154090 /nfs/dbraw/zinc/15/40/90/135154090.db2.gz VZXFHDHCZSYDRT-QWRGUYRKSA-N 2 0 200.301 1.420 20 0 BDADRP Cc1[nH+]ccc(N2CCC[C@H]2C[NH3+])c1Cl ZINC000261529042 135154938 /nfs/dbraw/zinc/15/49/38/135154938.db2.gz ADVKYQSPFFCVKM-VIFPVBQESA-N 2 0 225.723 1.971 20 0 BDADRP COCC(C)(C)C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000261530094 135157600 /nfs/dbraw/zinc/15/76/00/135157600.db2.gz BXASNGXRXZLAIF-LLVKDONJSA-N 2 0 214.353 1.248 20 0 BDADRP CC(C)OCCC[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000087646237 135160891 /nfs/dbraw/zinc/16/08/91/135160891.db2.gz MEFNNFOZKHBTLR-LBPRGKRZSA-N 2 0 214.353 1.391 20 0 BDADRP CC[C@@H]1C[C@H](C)C[N@@H+]1CCOCC[NH3+] ZINC000261532133 135162316 /nfs/dbraw/zinc/16/23/16/135162316.db2.gz JGWGEBSUFODTCK-WDEREUQCSA-N 2 0 200.326 1.082 20 0 BDADRP C(C1CCCC1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261532166 135162935 /nfs/dbraw/zinc/16/29/35/135162935.db2.gz JLSYJFHIBGTAGB-STQMWFEESA-N 2 0 208.349 1.718 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCS1 ZINC000087667677 135162955 /nfs/dbraw/zinc/16/29/55/135162955.db2.gz LYHXPYPYOBLPQZ-SDDRHHMPSA-N 2 0 228.405 1.989 20 0 BDADRP CC[C@@H]1CCCN(Cc2noc(CN)n2)C1 ZINC000261533018 135164010 /nfs/dbraw/zinc/16/40/10/135164010.db2.gz FVWMLQUVECSZJD-SECBINFHSA-N 2 0 224.308 1.150 20 0 BDADRP COC[C@H](C)[N@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000261534599 135168067 /nfs/dbraw/zinc/16/80/67/135168067.db2.gz MSHCAORFXDMQOK-SRVKXCTJSA-N 2 0 214.353 1.341 20 0 BDADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCC(F)(F)F)C[C@@H]12 ZINC000261534866 135168487 /nfs/dbraw/zinc/16/84/87/135168487.db2.gz NGOWVAFESPMHPF-DJLDLDEBSA-N 2 0 222.254 1.608 20 0 BDADRP C1C[NH2+][C@H]([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCOC2)C1 ZINC000087784580 135169651 /nfs/dbraw/zinc/16/96/51/135169651.db2.gz SHPHRNBJMHHZFP-VOAKCMCISA-N 2 0 224.348 1.286 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCSC1 ZINC000261535534 135169863 /nfs/dbraw/zinc/16/98/63/135169863.db2.gz OMAXGHYIUQOOGE-QWRGUYRKSA-N 2 0 228.405 1.717 20 0 BDADRP Cc1ncccc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000261536287 135171206 /nfs/dbraw/zinc/17/12/06/135171206.db2.gz RCANQEVLQJWZAY-NSHDSACASA-N 2 0 205.305 1.171 20 0 BDADRP CC(C)OCC[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000261536436 135172588 /nfs/dbraw/zinc/17/25/88/135172588.db2.gz RRVHJKVWZJQLJN-LLVKDONJSA-N 2 0 214.353 1.389 20 0 BDADRP COCC(C)(C)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000261536779 135173143 /nfs/dbraw/zinc/17/31/43/135173143.db2.gz SWLOTMUTYOIZHX-WDEREUQCSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@@H]1C[NH+](C[C@@H]2CC[NH2+][C@H](C)C2)C[C@H]1C ZINC000261537169 135173775 /nfs/dbraw/zinc/17/37/75/135173775.db2.gz VBXVUKZKLBGDIC-FDYHWXHSSA-N 2 0 210.365 1.962 20 0 BDADRP CC(C)(O)CC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000261538815 135176952 /nfs/dbraw/zinc/17/69/52/135176952.db2.gz ZKRPKVJKXJTCPT-QWRGUYRKSA-N 2 0 214.353 1.255 20 0 BDADRP CC(C)[C@@](C)(O)C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000261538932 135177281 /nfs/dbraw/zinc/17/72/81/135177281.db2.gz ZVZODYJYCKYJOZ-NEPJUHHUSA-N 2 0 214.353 1.125 20 0 BDADRP c1ccc(CC[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261542155 135182789 /nfs/dbraw/zinc/18/27/89/135182789.db2.gz BWNDORPPFRHSFD-CABCVRRESA-N 2 0 230.355 1.770 20 0 BDADRP CN(C[C@@H]1CCC[NH2+]C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000261542498 135183307 /nfs/dbraw/zinc/18/33/07/135183307.db2.gz OVOSWJOJOOLFKC-OCCSQVGLSA-N 2 0 237.391 1.155 20 0 BDADRP Cc1noc(C)c1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261544373 135185252 /nfs/dbraw/zinc/18/52/52/135185252.db2.gz DVLCVNPOGCKNSJ-DRZSPHRISA-N 2 0 235.331 1.461 20 0 BDADRP CO[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)[C@@H](C)C1 ZINC000261544742 135186166 /nfs/dbraw/zinc/18/61/66/135186166.db2.gz ZNGNEZAWEMGFMP-IGQOVBAYSA-N 2 0 240.391 1.874 20 0 BDADRP Cc1nc(C)c(C[N@@H+]2CC[C@@H](C[NH3+])C2)s1 ZINC000084149027 135187605 /nfs/dbraw/zinc/18/76/05/135187605.db2.gz PKNKFKWVGXSJSK-JTQLQIEISA-N 2 0 225.361 1.541 20 0 BDADRP COC[C@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000261551106 135190450 /nfs/dbraw/zinc/19/04/50/135190450.db2.gz QCPQRRFFDLNDMD-NSHDSACASA-N 2 0 212.337 1.097 20 0 BDADRP Cc1cnn(CC[NH+]2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000261551531 135190593 /nfs/dbraw/zinc/19/05/93/135190593.db2.gz MDMRKDODYCXBKT-GFCCVEGCSA-N 2 0 236.363 1.251 20 0 BDADRP COC[C@]1(CNc2cc[nH+]c(C)c2)CCC[NH2+]1 ZINC000261552225 135191290 /nfs/dbraw/zinc/19/12/90/135191290.db2.gz MRRCOOGQTGVQGX-CYBMUJFWSA-N 2 0 235.331 1.571 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000084217389 135192462 /nfs/dbraw/zinc/19/24/62/135192462.db2.gz YOKGSJPKNLAOBQ-STQMWFEESA-N 2 0 204.317 1.904 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC1CCOCC1 ZINC000084216861 135192922 /nfs/dbraw/zinc/19/29/22/135192922.db2.gz XLHLPRFAKBDXPV-QWHCGFSZSA-N 2 0 226.364 1.520 20 0 BDADRP C[NH2+]CCC1CC[NH+](C[C@H]2C[C@@H]2C)CC1 ZINC000261554815 135194501 /nfs/dbraw/zinc/19/45/01/135194501.db2.gz UQQXZKDVOBXCGQ-WCQYABFASA-N 2 0 210.365 1.964 20 0 BDADRP c1cncc(CC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261557792 135198637 /nfs/dbraw/zinc/19/86/37/135198637.db2.gz SBRUGBYNWDLMOC-KBPBESRZSA-N 2 0 231.343 1.165 20 0 BDADRP COCC1(CNc2cc[nH+]cc2C)CC[NH2+]CC1 ZINC000261560712 135201661 /nfs/dbraw/zinc/20/16/61/135201661.db2.gz FLLKUJXBXMYLEW-UHFFFAOYSA-N 2 0 249.358 1.818 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCC1CCOCC1 ZINC000261561089 135201882 /nfs/dbraw/zinc/20/18/82/135201882.db2.gz VBLMUKKOSUIYLL-KBPBESRZSA-N 2 0 240.391 1.910 20 0 BDADRP COCC1(CNc2cc(C)cc[nH+]2)CC[NH2+]CC1 ZINC000261563929 135205835 /nfs/dbraw/zinc/20/58/35/135205835.db2.gz HBYKILMSOBBWAK-UHFFFAOYSA-N 2 0 249.358 1.818 20 0 BDADRP C[C@H](c1cccnc1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261564412 135205861 /nfs/dbraw/zinc/20/58/61/135205861.db2.gz CMVCVCWRLGHVSC-YPMHNXCESA-N 2 0 219.332 1.813 20 0 BDADRP C[C@@H](c1cccnc1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261564409 135206239 /nfs/dbraw/zinc/20/62/39/135206239.db2.gz CMVCVCWRLGHVSC-AAEUAGOBSA-N 2 0 219.332 1.813 20 0 BDADRP C[C@@H]1CCC[C@@H](C)[N@H+](CCOCC[NH3+])C1 ZINC000261568392 135210120 /nfs/dbraw/zinc/21/01/20/135210120.db2.gz FNDRXXVXESOJGU-VXGBXAGGSA-N 2 0 214.353 1.472 20 0 BDADRP Cc1nc(C)c(C[NH2+][C@H]2CCC[NH2+]CC2)s1 ZINC000261569722 135212498 /nfs/dbraw/zinc/21/24/98/135212498.db2.gz GMOOFXAADDQXIZ-NSHDSACASA-N 2 0 239.388 1.992 20 0 BDADRP C[C@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCS1 ZINC000164153526 135214617 /nfs/dbraw/zinc/21/46/17/135214617.db2.gz WJFIIPBTTLAHOK-RYUDHWBXSA-N 2 0 228.405 1.813 20 0 BDADRP c1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000084385013 135218310 /nfs/dbraw/zinc/21/83/10/135218310.db2.gz DMOINVGPLOIQLS-CYBMUJFWSA-N 2 0 204.317 1.776 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@H]1CCCOCC1 ZINC000261583371 135224093 /nfs/dbraw/zinc/22/40/93/135224093.db2.gz OYOYDRFHFACLLV-FRRDWIJNSA-N 2 0 226.364 1.676 20 0 BDADRP Cn1cc([C@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)cn1 ZINC000261584907 135226041 /nfs/dbraw/zinc/22/60/41/135226041.db2.gz SQDZECGIXWECNK-GXTWGEPZSA-N 2 0 248.374 1.557 20 0 BDADRP Cn1cc([C@@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)cn1 ZINC000261584908 135226451 /nfs/dbraw/zinc/22/64/51/135226451.db2.gz SQDZECGIXWECNK-JSGCOSHPSA-N 2 0 248.374 1.557 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H](O)C2)c2ccccc21 ZINC000261585851 135226784 /nfs/dbraw/zinc/22/67/84/135226784.db2.gz TZBDATARGYFGRM-DRABBMOASA-N 2 0 246.354 1.882 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc(F)c1 ZINC000261589337 135229821 /nfs/dbraw/zinc/22/98/21/135229821.db2.gz TVFMTBRAUHDPEQ-ZWNOBZJWSA-N 2 0 222.307 1.913 20 0 BDADRP Cc1nc(C)c(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)s1 ZINC000261596310 135235690 /nfs/dbraw/zinc/23/56/90/135235690.db2.gz YRYHIHWCWMLJAQ-KWQFWETISA-N 2 0 239.388 1.848 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CCC2(CCC2)C1 ZINC000261546701 135239370 /nfs/dbraw/zinc/23/93/70/135239370.db2.gz LGKHJCUCSHFLGC-UHFFFAOYSA-N 2 0 208.349 1.862 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000261547193 135239867 /nfs/dbraw/zinc/23/98/67/135239867.db2.gz LZYIVMFMSZCCCV-UPJWGTAASA-N 2 0 208.349 1.860 20 0 BDADRP C[C@H]1C[C@H]1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000261548147 135241598 /nfs/dbraw/zinc/24/15/98/135241598.db2.gz NEDOVMMMDWMHOA-RYUDHWBXSA-N 2 0 208.349 1.718 20 0 BDADRP COC[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261635936 135241985 /nfs/dbraw/zinc/24/19/85/135241985.db2.gz FHHVENLPVHAKPQ-CFVMTHIKSA-N 2 0 248.370 1.696 20 0 BDADRP Cc1cc(C[NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)on1 ZINC000261728679 135248464 /nfs/dbraw/zinc/24/84/64/135248464.db2.gz ODOKIPLFGAXXRU-MWLCHTKSSA-N 2 0 223.320 1.461 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@@H]12 ZINC000261751478 135249696 /nfs/dbraw/zinc/24/96/96/135249696.db2.gz CFEMUPDTNBXWJN-FDYHWXHSSA-N 2 0 224.348 1.082 20 0 BDADRP C[C@H]([NH3+])CN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261750573 135249749 /nfs/dbraw/zinc/24/97/49/135249749.db2.gz NJJQMVILUKOQMD-YUTCNCBUSA-N 2 0 233.359 1.008 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@H]21 ZINC000261785393 135252455 /nfs/dbraw/zinc/25/24/55/135252455.db2.gz PSHUDJCBYOYXDS-BFHYXJOUSA-N 3 0 237.391 1.045 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261809976 135254262 /nfs/dbraw/zinc/25/42/62/135254262.db2.gz GNXFNTAQLJKLNY-VXGBXAGGSA-N 2 0 241.379 1.010 20 0 BDADRP C[C@H](CNC1=[NH+]CCCN1)[N@@H+]1CCCC[C@@H]1C ZINC000261872598 135258681 /nfs/dbraw/zinc/25/86/81/135258681.db2.gz PDCCTNXEGVWDJD-NWDGAFQWSA-N 2 0 238.379 1.188 20 0 BDADRP C[C@]1(C[N@@H+]2CCOCC3(CCC3)C2)CC[NH2+]C1 ZINC000261889470 135260000 /nfs/dbraw/zinc/26/00/00/135260000.db2.gz SPRCYDNVPOAROU-ZDUSSCGKSA-N 2 0 238.375 1.489 20 0 BDADRP CC[N@H+](C)C[C@H]1CCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262006824 135272412 /nfs/dbraw/zinc/27/24/12/135272412.db2.gz LWVNYZFQGFZIEJ-KGLIPLIRSA-N 2 0 239.407 1.260 20 0 BDADRP C[C@]1(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)CC[NH2+]C1 ZINC000262028451 135273694 /nfs/dbraw/zinc/27/36/94/135273694.db2.gz NUTJSLOUFBOJST-RDBSUJKOSA-N 2 0 238.375 1.344 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000262030869 135273824 /nfs/dbraw/zinc/27/38/24/135273824.db2.gz XDJQIAAEAVIQBN-UONOGXRCSA-N 2 0 238.375 1.344 20 0 BDADRP CC[N@@H+]1C[C@H](C)N(C[C@@H]2CCC[NH2+]C2)C[C@@H]1C ZINC000262030878 135273909 /nfs/dbraw/zinc/27/39/09/135273909.db2.gz XDKRHSCEZAEDFG-MELADBBJSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@H](N)[C@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000262131354 135280851 /nfs/dbraw/zinc/28/08/51/135280851.db2.gz OBNRSZCGWRDNAI-WCQYABFASA-N 2 0 225.380 1.188 20 0 BDADRP [NH3+]C1CCC([NH2+][C@H]2COc3ccccc3C2)CC1 ZINC000262190593 135284801 /nfs/dbraw/zinc/28/48/01/135284801.db2.gz JOKBYVQLDWGZJO-JXQTWKCFSA-N 2 0 246.354 1.850 20 0 BDADRP CCC[N@H+](CC1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC000262196178 135285287 /nfs/dbraw/zinc/28/52/87/135285287.db2.gz KAMOTVVRZDSFLD-UHFFFAOYSA-N 2 0 239.407 1.450 20 0 BDADRP C[N@H+](CC1CC[NH2+]CC1)C[C@@H]1CCCC[C@@H]1O ZINC000262288852 135290726 /nfs/dbraw/zinc/29/07/26/135290726.db2.gz VUCZFVXYVPGQQJ-KBPBESRZSA-N 2 0 240.391 1.469 20 0 BDADRP CCC(CC)(C[NH3+])NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262445419 135299861 /nfs/dbraw/zinc/29/98/61/135299861.db2.gz YSFCDIIBSPTVNO-QWRGUYRKSA-N 2 0 241.379 1.008 20 0 BDADRP [NH3+][C@@H](CC(=O)NCC1([NH3+])CCC1)c1ccccc1 ZINC000342608250 135302850 /nfs/dbraw/zinc/30/28/50/135302850.db2.gz POOAWBGGFCHXKT-LBPRGKRZSA-N 2 0 247.342 1.074 20 0 BDADRP C[N@@H+](CC[C@H]1CCC[NH+]1C)CC[C@@H]1CCCO1 ZINC000342607392 135303012 /nfs/dbraw/zinc/30/30/12/135303012.db2.gz RWAMHLBMILFIKC-KGLIPLIRSA-N 2 0 240.391 1.972 20 0 BDADRP C[C@@H](C[NH2+][C@@H]1CCC1(C)C)N1CC[NH+](C)CC1 ZINC000342699266 135306386 /nfs/dbraw/zinc/30/63/86/135306386.db2.gz NXSAMXDTPYKQHO-QWHCGFSZSA-N 2 0 239.407 1.401 20 0 BDADRP CCC(CC)(C[NH3+])NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000262608488 135315838 /nfs/dbraw/zinc/31/58/38/135315838.db2.gz UTMAXQLQOKQARX-QWRGUYRKSA-N 2 0 241.379 1.138 20 0 BDADRP Cc1cnc(CN2CC[C@@H]3CC[N@H+](C)C[C@H]32)n1C ZINC000342779098 135317177 /nfs/dbraw/zinc/31/71/77/135317177.db2.gz OLPGLMBUTMRGEA-QWHCGFSZSA-N 2 0 248.374 1.255 20 0 BDADRP [NH3+][C@H]1CCC[C@H](NC(=O)C2([NH3+])CCCCC2)C1 ZINC000262757963 135317574 /nfs/dbraw/zinc/31/75/74/135317574.db2.gz FAEJVLVDHGRYEL-QWRGUYRKSA-N 2 0 239.363 1.034 20 0 BDADRP Cc1cnc(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1C ZINC000342775908 135327052 /nfs/dbraw/zinc/32/70/52/135327052.db2.gz FZANHNKIGYVUNG-QWHCGFSZSA-N 2 0 248.374 1.397 20 0 BDADRP CCC[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000334391057 135386042 /nfs/dbraw/zinc/38/60/42/135386042.db2.gz USYXOKHVURBKPE-CYBMUJFWSA-N 2 0 239.407 1.497 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334412720 135396618 /nfs/dbraw/zinc/39/66/18/135396618.db2.gz LKNRXLAUDXYINP-ZIAGYGMSSA-N 2 0 237.391 1.062 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@@H]2CCCOC2)CC1 ZINC000335054172 135874339 /nfs/dbraw/zinc/87/43/39/135874339.db2.gz NMPNSHKFQZAAMA-HTAVTVPLSA-N 2 0 212.337 1.273 20 0 BDADRP Cn1cncc1CNc1ccc2c(c1)ncn2C ZINC000347773992 136008797 /nfs/dbraw/zinc/00/87/97/136008797.db2.gz HSYNMSZYTDXWHW-UHFFFAOYSA-N 2 0 241.298 1.919 20 0 BDADRP [NH3+]CC1(CN2C[C@@H]([NH3+])Cc3ccccc32)CC1 ZINC000335356784 136074545 /nfs/dbraw/zinc/07/45/45/136074545.db2.gz HJUBNHSPGJYUFL-LBPRGKRZSA-N 2 0 231.343 1.115 20 0 BDADRP [NH3+][C@@H]1Cc2ccccc2N(C[C@H]2CCC[NH2+]C2)C1 ZINC000335359236 136075344 /nfs/dbraw/zinc/07/53/44/136075344.db2.gz WFPQRIRUNYMZIA-GXTWGEPZSA-N 2 0 245.370 1.376 20 0 BDADRP C[C@@H]([NH3+])C[NH2+][C@H]1CCCC12CCOCC2 ZINC000335397726 136092915 /nfs/dbraw/zinc/09/29/15/136092915.db2.gz WHRBRKDDZTVLJU-MNOVXSKESA-N 2 0 212.337 1.273 20 0 BDADRP c1ccc2c(c1)CC[C@@H]([NH2+]CC1C[NH2+]C1)C2 ZINC000335551581 136097904 /nfs/dbraw/zinc/09/79/04/136097904.db2.gz JUQVGENKFYPXFH-CQSZACIVSA-N 2 0 216.328 1.353 20 0 BDADRP c1ccc2c(c1)CC[C@@H]2[NH2+]CC1C[NH2+]C1 ZINC000335552627 136098417 /nfs/dbraw/zinc/09/84/17/136098417.db2.gz QANMZFPGPZSFFN-ZDUSSCGKSA-N 2 0 202.301 1.483 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCCNC2)CC1 ZINC000335554135 136098811 /nfs/dbraw/zinc/09/88/11/136098811.db2.gz DKMGUXNYRYURIF-OTTFEQOBSA-N 2 0 225.380 1.201 20 0 BDADRP C1CC12CCC([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)CC2 ZINC000335562343 136106683 /nfs/dbraw/zinc/10/66/83/136106683.db2.gz SOVVCZGYPNQOSN-GDNZZTSVSA-N 2 0 206.333 1.517 20 0 BDADRP C[C@@H]1C[C@H]1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000381604047 397762856 /nfs/dbraw/zinc/76/28/56/397762856.db2.gz PDEDGMRZRFXHEJ-MNOVXSKESA-N 2 0 208.349 1.859 20 0 BDADRP C([C@@H]1CC[NH2+]C1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000382657610 397966394 /nfs/dbraw/zinc/96/63/94/397966394.db2.gz SFCVYWOVXOZQSJ-ZIAGYGMSSA-N 2 0 237.391 1.156 20 0 BDADRP CCC[C@H](C[NH2+]C[C@@H]1CCC[N@H+](C)C1)OC ZINC000382393277 397946365 /nfs/dbraw/zinc/94/63/65/397946365.db2.gz MZPBAADHKMRPHE-QWHCGFSZSA-N 2 0 228.380 1.733 20 0 BDADRP CC(C)OC1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647881178 397914868 /nfs/dbraw/zinc/91/48/68/397914868.db2.gz NWAZEUIJUNSKSK-LBPRGKRZSA-N 2 0 226.364 1.485 20 0 BDADRP CCC(CC)[N@H+](CCN1CC[NH2+]CC1)C1CC1 ZINC000647881189 397915409 /nfs/dbraw/zinc/91/54/09/397915409.db2.gz PCGJUGHBPCBMJI-UHFFFAOYSA-N 2 0 239.407 1.545 20 0 BDADRP C[C@H]([NH3+])CC[NH2+]C1Cc2ccccc2C1 ZINC000414819082 398045082 /nfs/dbraw/zinc/04/50/82/398045082.db2.gz GOLIPKXXQGYGCZ-JTQLQIEISA-N 2 0 204.317 1.481 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)[C@H]1CCCCO1 ZINC000383108893 398001137 /nfs/dbraw/zinc/00/11/37/398001137.db2.gz QLUURWDICMOIDE-MELADBBJSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)[C@H]1CCCCO1 ZINC000383108891 398001260 /nfs/dbraw/zinc/00/12/60/398001260.db2.gz QLUURWDICMOIDE-BFHYXJOUSA-N 2 0 240.391 1.875 20 0 BDADRP CN(CC[NH2+]C(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414659122 398007991 /nfs/dbraw/zinc/00/79/91/398007991.db2.gz RYALKRMJERWAMJ-FUNVUKJBSA-N 2 0 239.407 1.589 20 0 BDADRP C[C@@H]1CCC[C@@]1(O)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000383194382 398010302 /nfs/dbraw/zinc/01/03/02/398010302.db2.gz SRHLGPWKPZOEAP-AAVRWANBSA-N 2 0 240.391 1.610 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[N@H+](C)CC[C@H]1C ZINC000414690016 398019731 /nfs/dbraw/zinc/01/97/31/398019731.db2.gz HFLVHVMSLWPQMG-OLZOCXBDSA-N 2 0 227.396 1.386 20 0 BDADRP C[C@H]1C[C@@H]1C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000414767486 398030805 /nfs/dbraw/zinc/03/08/05/398030805.db2.gz GFUJCWQQKWASST-ASEORRQLSA-N 2 0 238.375 1.471 20 0 BDADRP C[C@H]1CC[C@H](C[NH2+]CC2CC[NH2+]CC2)O1 ZINC000398196697 397980621 /nfs/dbraw/zinc/98/06/21/397980621.db2.gz ZOXZLNYIGGMNHG-CMPLNLGQSA-N 2 0 212.337 1.143 20 0 BDADRP CC[N@@H+]1CC[C@H](N[C@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000414860254 398066896 /nfs/dbraw/zinc/06/68/96/398066896.db2.gz CFXRFLQTAJEATB-AVGNSLFASA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CCN(CC2CC2)C1 ZINC000648449978 398052043 /nfs/dbraw/zinc/05/20/43/398052043.db2.gz DETJPSZVBJGESC-WXHSDQCUSA-N 2 0 240.416 1.812 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C[C@@H]1CCCO1 ZINC000086495014 398055289 /nfs/dbraw/zinc/05/52/89/398055289.db2.gz XSGQKRSWJLWIOO-WOPDTQHZSA-N 2 0 212.337 1.286 20 0 BDADRP CO[C@@H](C[NH2+][C@H](C)CC[NH+](C)C)C1CC1 ZINC000400275700 398103905 /nfs/dbraw/zinc/10/39/05/398103905.db2.gz GNHSMDTZHJCVSY-PWSUYJOCSA-N 2 0 214.353 1.341 20 0 BDADRP CC(C)(C)[NH2+]CC[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414969841 398131473 /nfs/dbraw/zinc/13/14/73/398131473.db2.gz UGQOUZIEWBIRPI-GFCCVEGCSA-N 3 0 227.396 1.496 20 0 BDADRP CC(C)[NH2+]C1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000361551107 167095559 /nfs/dbraw/zinc/09/55/59/167095559.db2.gz IFXFMLVENLTOSA-ZDUSSCGKSA-N 2 0 240.391 1.875 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@H]2CCCC[C@@H]2O)C1 ZINC000393282059 487571279 /nfs/dbraw/zinc/57/12/79/487571279.db2.gz YXEIPLAHFDURTH-XQQFMLRXSA-N 2 0 226.364 1.079 20 0 BDADRP CC(C)OCCC[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000336679606 167214782 /nfs/dbraw/zinc/21/47/82/167214782.db2.gz ALMQLIAUOJWWLK-RYUDHWBXSA-N 2 0 214.353 1.471 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000393734087 487579379 /nfs/dbraw/zinc/57/93/79/487579379.db2.gz ADGDNNDJXJZZFX-UPJWGTAASA-N 2 0 228.380 1.275 20 0 BDADRP CC(C)OCC[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000122347190 167235745 /nfs/dbraw/zinc/23/57/45/167235745.db2.gz LHPYLYUZHBXRHI-WDEREUQCSA-N 2 0 200.326 1.081 20 0 BDADRP CC(C)OCC[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000308481239 167243291 /nfs/dbraw/zinc/24/32/91/167243291.db2.gz MXCQAQYWAGKYPL-NSHDSACASA-N 2 0 202.342 1.374 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCCC[NH+](C)C)CS1 ZINC000086935746 487586041 /nfs/dbraw/zinc/58/60/41/487586041.db2.gz COIWEMMBKHNNMU-MNOVXSKESA-N 2 0 216.394 1.812 20 0 BDADRP CC(C)OC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000337330325 167257268 /nfs/dbraw/zinc/25/72/68/167257268.db2.gz GNOFIBFUAZROJU-CHWSQXEVSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCC[NH+](C)C)CS1 ZINC000086934339 487589794 /nfs/dbraw/zinc/58/97/94/487589794.db2.gz LGSGIEANCIUBLH-VHSXEESVSA-N 2 0 202.367 1.422 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCCC2)CS1 ZINC000086934488 487590552 /nfs/dbraw/zinc/59/05/52/487590552.db2.gz CMIGOCZCIOJUEZ-VXGBXAGGSA-N 2 0 228.405 1.956 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCCC2)CS1 ZINC000086934486 487590582 /nfs/dbraw/zinc/59/05/82/487590582.db2.gz CMIGOCZCIOJUEZ-NEPJUHHUSA-N 2 0 228.405 1.956 20 0 BDADRP C[C@H]1CCC[N@H+](Cc2cnn(C)c2)[C@@H]1CC[NH3+] ZINC000404398662 487596754 /nfs/dbraw/zinc/59/67/54/487596754.db2.gz PURXOYVYUIZBRI-WCQYABFASA-N 2 0 236.363 1.369 20 0 BDADRP CC(C)N1C[C@@H](C)[C@@H]([NH2+]C2CCC(O)CC2)C1 ZINC000088668766 487602926 /nfs/dbraw/zinc/60/29/26/487602926.db2.gz VFXALOHZAFGXIB-RYSNWHEDSA-N 2 0 240.391 1.608 20 0 BDADRP C[C@@H](C[NH3+])N(C)C(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662417622 487603978 /nfs/dbraw/zinc/60/39/78/487603978.db2.gz LZSYZATUJLBCSN-GXFFZTMASA-N 2 0 247.342 1.027 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1)C1CCCC1 ZINC000662265845 409559129 /nfs/dbraw/zinc/55/91/29/409559129.db2.gz JEVUVYFEKZQZTR-IACUBPJLSA-N 2 0 240.391 1.861 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1)C1CCC1 ZINC000662264207 409560370 /nfs/dbraw/zinc/56/03/70/409560370.db2.gz CGIUPBSCYXOKQU-CYZMBNFOSA-N 2 0 226.364 1.471 20 0 BDADRP C([C@@H]1C[C@H]2C[C@H]2C1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000662272248 409577747 /nfs/dbraw/zinc/57/77/47/409577747.db2.gz CWZPLHDVLLQUDN-XGUBFFRZSA-N 2 0 249.402 1.012 20 0 BDADRP COc1ccccc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000259101117 409732896 /nfs/dbraw/zinc/73/28/96/409732896.db2.gz UPBISJCLZDESDM-GFCCVEGCSA-N 2 0 234.343 1.784 20 0 BDADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000662723596 409871390 /nfs/dbraw/zinc/87/13/90/409871390.db2.gz HLTZUEXQGOORFI-OLZOCXBDSA-N 2 0 249.358 1.176 20 0 BDADRP CC(C)C[N@H+](C)CCCNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000653175993 410153242 /nfs/dbraw/zinc/15/32/42/410153242.db2.gz HSEIWTLCTMDJQE-NEPJUHHUSA-N 2 0 243.395 1.064 20 0 BDADRP CC(C)C[N@H+](C)CCCNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000653175995 410151934 /nfs/dbraw/zinc/15/19/34/410151934.db2.gz HSEIWTLCTMDJQE-RYUDHWBXSA-N 2 0 243.395 1.064 20 0 BDADRP Cc1cc(CN2C[C@H]3C[NH2+]C[C@H]3C2)cs1 ZINC000309037739 410206465 /nfs/dbraw/zinc/20/64/65/410206465.db2.gz HISYZUIGTQTHDT-TXEJJXNPSA-N 2 0 222.357 1.708 20 0 BDADRP CC(C)[C@H]([NH3+])CCNC1CC[NH+](C(C)C)CC1 ZINC000663502131 410278611 /nfs/dbraw/zinc/27/86/11/410278611.db2.gz GEPMNUOEVDIGJM-CQSZACIVSA-N 2 0 241.423 1.822 20 0 BDADRP C[NH2+]C[C@H](C)N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000663512944 410282310 /nfs/dbraw/zinc/28/23/10/410282310.db2.gz HWXDIXIJRHGFAZ-WUHRBBMRSA-N 2 0 225.380 1.105 20 0 BDADRP COc1ccc(C[NH2+]CCC2(C[NH3+])CC2)cc1 ZINC000650711712 410339831 /nfs/dbraw/zinc/33/98/31/410339831.db2.gz AOGGXYZGHVRYBG-UHFFFAOYSA-N 2 0 234.343 1.914 20 0 BDADRP C[C@@H]1CCCN(C[C@@H]2CCC[NH2+]C2)[C@H]1CC[NH3+] ZINC000650711747 410341863 /nfs/dbraw/zinc/34/18/63/410341863.db2.gz CAHXNKVQQXSKLQ-MCIONIFRSA-N 3 0 239.407 1.435 20 0 BDADRP Cc1nn(C)c(C)c1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650712240 410341923 /nfs/dbraw/zinc/34/19/23/410341923.db2.gz XOTIJKGSCBVFBB-UHFFFAOYSA-N 2 0 236.363 1.256 20 0 BDADRP C[C@@H]1CCC[N@H+](Cc2ccc(N)nc2)[C@@H]1CC[NH3+] ZINC000650712283 410343051 /nfs/dbraw/zinc/34/30/51/410343051.db2.gz ZBYOMUSONGPRQO-DGCLKSJQSA-N 2 0 248.374 1.443 20 0 BDADRP Cc1ncccc1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650712878 410344345 /nfs/dbraw/zinc/34/43/45/410344345.db2.gz ZCOJIIWRPXTWTK-UHFFFAOYSA-N 2 0 219.332 1.609 20 0 BDADRP CCc1nn(C)cc1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650713447 410345338 /nfs/dbraw/zinc/34/53/38/410345338.db2.gz SVVLFCNIVZYCCH-UHFFFAOYSA-N 2 0 236.363 1.201 20 0 BDADRP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650714106 410346602 /nfs/dbraw/zinc/34/66/02/410346602.db2.gz RLSNTVSNMKKYFD-RYUDHWBXSA-N 3 0 225.380 1.236 20 0 BDADRP CCO[C@@H]1C[N@H+](CC2(C)CC2)C[C@H]1C[NH3+] ZINC000650714512 410347715 /nfs/dbraw/zinc/34/77/15/410347715.db2.gz JVLXZLJNPXRJFV-GHMZBOCLSA-N 2 0 212.337 1.082 20 0 BDADRP C[NH2+]Cc1ccccc1CN[C@@H]1C[NH2+]C[C@H](C)C1 ZINC000650720604 410359274 /nfs/dbraw/zinc/35/92/74/410359274.db2.gz VTYKDMVMWKXYMA-DOMZBBRYSA-N 3 0 247.386 1.494 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC000650720685 410360546 /nfs/dbraw/zinc/36/05/46/410360546.db2.gz YODWQCGNJYTDBR-HNNXBMFYSA-N 2 0 247.386 1.495 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000650742954 410377250 /nfs/dbraw/zinc/37/72/50/410377250.db2.gz JADGOAOMJBMBCS-KQSJRHEJSA-N 2 0 210.321 1.023 20 0 BDADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1cnn(C)c1 ZINC000650744345 410380512 /nfs/dbraw/zinc/38/05/12/410380512.db2.gz MCHNHMWKYMKCBD-JTQLQIEISA-N 2 0 222.336 1.200 20 0 BDADRP CC[C@H]([NH2+]CCC1(C[NH3+])CC1)[C@H]1CCOC1 ZINC000650746008 410385352 /nfs/dbraw/zinc/38/53/52/410385352.db2.gz UBGQNOUMHSNNFN-RYUDHWBXSA-N 2 0 226.364 1.520 20 0 BDADRP CC[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccn(C)n1 ZINC000650747042 410386076 /nfs/dbraw/zinc/38/60/76/410386076.db2.gz PXUMHAPERINJKI-LLVKDONJSA-N 2 0 236.363 1.590 20 0 BDADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1cc2n(n1)CCC2 ZINC000650748460 410390252 /nfs/dbraw/zinc/39/02/52/410390252.db2.gz UVZBOHQTNTYCED-LLVKDONJSA-N 2 0 248.374 1.609 20 0 BDADRP [NH3+]Cc1ccc(CN[C@H]2CCC[C@H]2[NH3+])c(F)c1 ZINC000650756181 410402611 /nfs/dbraw/zinc/40/26/11/410402611.db2.gz WBHKXTAADOWUQQ-OLZOCXBDSA-N 2 0 237.322 1.254 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C)COCC1CC1 ZINC000650761317 410408983 /nfs/dbraw/zinc/40/89/83/410408983.db2.gz XLUVTHMQOLXDLD-AXFHLTTASA-N 2 0 214.353 1.517 20 0 BDADRP c1cn2c(n1)[C@@H]([NH2+]CCC1CC[NH2+]CC1)CC2 ZINC000650761860 410409272 /nfs/dbraw/zinc/40/92/72/410409272.db2.gz MBVTUPYPUPOEKZ-LBPRGKRZSA-N 2 0 234.347 1.307 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650761855 410409323 /nfs/dbraw/zinc/40/93/23/410409323.db2.gz MBBMPBJNJBSSIK-ZIAGYGMSSA-N 3 0 239.407 1.483 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650762213 410411632 /nfs/dbraw/zinc/41/16/32/410411632.db2.gz XGCKHGBEUXVNLC-GXTWGEPZSA-N 3 0 239.407 1.354 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650762223 410411704 /nfs/dbraw/zinc/41/17/04/410411704.db2.gz XJKQLFARIPRQSB-QWHCGFSZSA-N 3 0 225.380 1.093 20 0 BDADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1cn[nH]c1 ZINC000650762300 410411918 /nfs/dbraw/zinc/41/19/18/410411918.db2.gz ZFIQZWZXJJQSJD-JTQLQIEISA-N 2 0 222.336 1.450 20 0 BDADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1cnccc1N ZINC000650762149 410412202 /nfs/dbraw/zinc/41/22/02/410412202.db2.gz VDKCDUVYQXSNQQ-NSHDSACASA-N 2 0 248.374 1.534 20 0 BDADRP CC[C@@H]([NH2+]CCC1CC[NH2+]CC1)[C@H]1CCOC1 ZINC000650764192 410414591 /nfs/dbraw/zinc/41/45/91/410414591.db2.gz SEELGOCKJDHMFQ-UONOGXRCSA-N 2 0 240.391 1.781 20 0 BDADRP CCc1cc(NCC[C@H](C)[NH+](C)C)cc[nH+]1 ZINC000664245029 410530848 /nfs/dbraw/zinc/53/08/48/410530848.db2.gz NCFLPYKQUAPPKI-NSHDSACASA-N 2 0 221.348 1.818 20 0 BDADRP C[C@H]([NH3+])CCC(=O)N(C)CC[NH+]1CCCCC1 ZINC000653274851 410555766 /nfs/dbraw/zinc/55/57/66/410555766.db2.gz QFQYCTQHBHJZQO-LBPRGKRZSA-N 2 0 241.379 1.058 20 0 BDADRP COC[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])C1CCOCC1 ZINC000665236382 410726533 /nfs/dbraw/zinc/72/65/33/410726533.db2.gz LNSSRMWDYIHQJW-MDZLAQPJSA-N 2 0 244.379 1.143 20 0 BDADRP C[C@H]1C[C@H](NCC2([NH3+])CCCC2)C[N@@H+]1C1CC1 ZINC000665249410 410731510 /nfs/dbraw/zinc/73/15/10/410731510.db2.gz PUCQQAYLHZREKF-RYUDHWBXSA-N 2 0 237.391 1.473 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC000665249412 410732185 /nfs/dbraw/zinc/73/21/85/410732185.db2.gz PUFAYCXKYCDXRQ-NXEZZACHSA-N 2 0 200.326 1.271 20 0 BDADRP C[C@H]([NH2+][C@@H]1COCC1(C)C)C1CC[NH+](C)CC1 ZINC000313073856 410737340 /nfs/dbraw/zinc/73/73/40/410737340.db2.gz YYPMMMKYATXIFN-WCQYABFASA-N 2 0 240.391 1.731 20 0 BDADRP C[C@]1(CC[NH2+][C@H]2CCC[C@@H]2[NH3+])CC1(F)F ZINC000665266664 410739181 /nfs/dbraw/zinc/73/91/81/410739181.db2.gz HDMRCKCLZAYPFN-GUBZILKMSA-N 2 0 218.291 1.891 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CC[C@H]1CCCO1 ZINC000393752166 410757081 /nfs/dbraw/zinc/75/70/81/410757081.db2.gz XDVOTZFNLRQKMT-NWDGAFQWSA-N 2 0 214.353 1.663 20 0 BDADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@H]1CC[NH2+]C1 ZINC000394323856 410789247 /nfs/dbraw/zinc/78/92/47/410789247.db2.gz KBMZNHALWXVZGF-MJBXVCDLSA-N 2 0 237.391 1.155 20 0 BDADRP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000665298510 410832631 /nfs/dbraw/zinc/83/26/31/410832631.db2.gz XFHIFRKFGIDESH-XDQVBPFNSA-N 2 0 240.391 1.779 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)NC(=O)CCC[NH3+] ZINC000019518925 169776776 /nfs/dbraw/zinc/77/67/76/169776776.db2.gz PQSMQZUEGDZCJO-LBPRGKRZSA-N 2 0 243.395 1.352 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)C1CC[NH+](C)CC1 ZINC000396440754 410882115 /nfs/dbraw/zinc/88/21/15/410882115.db2.gz LECIOBSYTKGEGB-YUTCNCBUSA-N 3 0 239.407 1.576 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000396454701 410883869 /nfs/dbraw/zinc/88/38/69/410883869.db2.gz XPUJBRGSQCXNBC-STQMWFEESA-N 3 0 239.407 1.306 20 0 BDADRP CC(C)[NH2+]CCN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000368318084 167103816 /nfs/dbraw/zinc/10/38/16/167103816.db2.gz PGOKVGVHOMXGJU-CYBMUJFWSA-N 2 0 225.380 1.012 20 0 BDADRP CC(C)OCC[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000069626557 167230695 /nfs/dbraw/zinc/23/06/95/167230695.db2.gz JLEPMYLZPDISAQ-LBPRGKRZSA-N 2 0 214.353 1.472 20 0 BDADRP Cc1cccc(CC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000399959701 411071277 /nfs/dbraw/zinc/07/12/77/411071277.db2.gz YTEFJKVWHVBWDZ-CHWSQXEVSA-N 2 0 231.343 1.084 20 0 BDADRP COC(C)(C)[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000300949732 411128347 /nfs/dbraw/zinc/12/83/47/411128347.db2.gz HAFPOXRONASUNT-VXGBXAGGSA-N 2 0 228.380 1.731 20 0 BDADRP CC[C@@H](O)C[NH2+]CC1CC[NH+](CC)CC1 ZINC000044518467 411137144 /nfs/dbraw/zinc/13/71/44/411137144.db2.gz BXXYKQHKRUEBIF-GFCCVEGCSA-N 2 0 214.353 1.079 20 0 BDADRP C[C@@H]([NH3+])CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000107788611 411139143 /nfs/dbraw/zinc/13/91/43/411139143.db2.gz JYMIIKSLHLEMOP-CYBMUJFWSA-N 2 0 247.386 1.588 20 0 BDADRP c1cn(CCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000401049000 411174645 /nfs/dbraw/zinc/17/46/45/411174645.db2.gz XIXFPBOPCPQTHE-HZSPNIEDSA-N 2 0 248.374 1.251 20 0 BDADRP CCC[C@H](O)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401046333 411174715 /nfs/dbraw/zinc/17/47/15/411174715.db2.gz GUDMYSLZGAZOMB-LPWJVIDDSA-N 2 0 226.364 1.125 20 0 BDADRP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCCS1 ZINC000401052360 411174726 /nfs/dbraw/zinc/17/47/26/411174726.db2.gz YYBDKIKUHGUNSG-RVMXOQNASA-N 2 0 240.416 1.860 20 0 BDADRP CC[C@H](O)CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401083162 411176201 /nfs/dbraw/zinc/17/62/01/411176201.db2.gz SWHZMYBDKGDTFJ-XQHKEYJVSA-N 2 0 226.364 1.125 20 0 BDADRP CC[C@H](CCO)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401083530 411176485 /nfs/dbraw/zinc/17/64/85/411176485.db2.gz TVYWLFWICLIZIV-UMSGYPCISA-N 2 0 226.364 1.125 20 0 BDADRP CC[C@H](O)CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401083160 411176763 /nfs/dbraw/zinc/17/67/63/411176763.db2.gz SWHZMYBDKGDTFJ-RVMXOQNASA-N 2 0 226.364 1.125 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cn[nH]c1 ZINC000401102214 411177021 /nfs/dbraw/zinc/17/70/21/411177021.db2.gz DDQTXTIJYOHIPQ-SRRSOLGSSA-N 2 0 234.347 1.448 20 0 BDADRP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)C1CC[NH+](C)CC1 ZINC000652254989 411181400 /nfs/dbraw/zinc/18/14/00/411181400.db2.gz GXEZLSPYGAHASF-ZRJCITRHSA-N 2 0 238.375 1.626 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCC2(CO)CCC2)CC[N@@H+]1C ZINC000652311605 411197744 /nfs/dbraw/zinc/19/77/44/411197744.db2.gz RNQYFZKZTWAQAT-OLZOCXBDSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@H](Cc1ccccn1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000656193228 411199832 /nfs/dbraw/zinc/19/98/32/411199832.db2.gz ALBXDCPCBDYGIJ-MBNYWOFBSA-N 2 0 233.359 1.872 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC2(CO)CCC2)C1 ZINC000656198434 411203395 /nfs/dbraw/zinc/20/33/95/411203395.db2.gz VOQWKGCNKIUMJA-GHMZBOCLSA-N 2 0 212.337 1.009 20 0 BDADRP CO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000656200183 411204279 /nfs/dbraw/zinc/20/42/79/411204279.db2.gz GSBUQFFCUPZMLK-FDYHWXHSSA-N 2 0 226.364 1.804 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCC2CC[NH2+]CC2)C1 ZINC000656200355 411204420 /nfs/dbraw/zinc/20/44/20/411204420.db2.gz KEDJADBFEVIGRR-OLZOCXBDSA-N 3 0 225.380 1.236 20 0 BDADRP CCC1(CC)CC[N@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000652338362 411204496 /nfs/dbraw/zinc/20/44/96/411204496.db2.gz XCQKFWFMVSBBSV-LBPRGKRZSA-N 2 0 228.380 1.469 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000656201093 411206081 /nfs/dbraw/zinc/20/60/81/411206081.db2.gz SFPJSNWBJDKPDU-NDBYEHHHSA-N 3 0 225.380 1.044 20 0 BDADRP COCC1(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000656201798 411207748 /nfs/dbraw/zinc/20/77/48/411207748.db2.gz ZMYCYASFKWLMQQ-ZJUUUORDSA-N 2 0 200.326 1.128 20 0 BDADRP OCCC[N@@H+](Cc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000652343664 411208030 /nfs/dbraw/zinc/20/80/30/411208030.db2.gz CKZAOLDWZVMKTM-HNNXBMFYSA-N 2 0 248.370 1.481 20 0 BDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CCCF)C2)C1 ZINC000652349203 411211167 /nfs/dbraw/zinc/21/11/67/411211167.db2.gz FMEPZIPHOAGZQQ-UPJWGTAASA-N 2 0 244.354 1.564 20 0 BDADRP C[C@@H]1CCCN(C[C@@H]2CC[NH2+]C2)[C@H]1CC[NH3+] ZINC000652353521 411212432 /nfs/dbraw/zinc/21/24/32/411212432.db2.gz NXLKAHGPSGFVNO-UPJWGTAASA-N 3 0 225.380 1.045 20 0 BDADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCOCC1CC1)C2 ZINC000652352105 411212791 /nfs/dbraw/zinc/21/27/91/411212791.db2.gz FRAKVVBJVDILKT-KBPBESRZSA-N 2 0 238.375 1.474 20 0 BDADRP CCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652360822 411216674 /nfs/dbraw/zinc/21/66/74/411216674.db2.gz RDHTZALBVBFYBW-JHJVBQTASA-N 2 0 226.364 1.757 20 0 BDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C1CC(C)C1 ZINC000658107090 411247647 /nfs/dbraw/zinc/24/76/47/411247647.db2.gz KHRMVOUINKYGBT-MOKVOYLWSA-N 2 0 241.423 1.647 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCOCC1CC1 ZINC000422884289 411233917 /nfs/dbraw/zinc/23/39/17/411233917.db2.gz DTLKUBSWKNDSAK-WCQYABFASA-N 2 0 226.364 1.391 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@H]1c1ccccc1F)C1C[NH2+]C1 ZINC000423173468 411236331 /nfs/dbraw/zinc/23/63/31/411236331.db2.gz YVXLFPDVPYKTJE-DUFXMDAXSA-N 2 0 234.318 1.879 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])[C@H](C)O1 ZINC000423193758 411237466 /nfs/dbraw/zinc/23/74/66/411237466.db2.gz WFAXEEYSKBQQRS-NZEXEKPDSA-N 2 0 226.364 1.517 20 0 BDADRP CCC[NH2+]CC[NH2+]C1CCC(COC)CC1 ZINC000423306626 411238081 /nfs/dbraw/zinc/23/80/81/411238081.db2.gz FFIUSCSVMYIKIW-UHFFFAOYSA-N 2 0 228.380 1.781 20 0 BDADRP Cc1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000400947884 411165705 /nfs/dbraw/zinc/16/57/05/411165705.db2.gz BAOPKSUQQPILDH-MELADBBJSA-N 2 0 245.370 1.868 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCOC1 ZINC000400969186 411166595 /nfs/dbraw/zinc/16/65/95/411166595.db2.gz LXJOZZMODXCWRV-RYMFRWLXSA-N 2 0 238.375 1.389 20 0 BDADRP CC(C)N(C)CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400975254 411167128 /nfs/dbraw/zinc/16/71/28/411167128.db2.gz OTPKFRYGTMKVDP-HZSPNIEDSA-N 2 0 239.407 1.304 20 0 BDADRP CCN(CC)CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400973459 411167306 /nfs/dbraw/zinc/16/73/06/411167306.db2.gz NZHNPAHVOXEXIA-MGPQQGTHSA-N 2 0 239.407 1.306 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400974090 411167591 /nfs/dbraw/zinc/16/75/91/411167591.db2.gz QYOFLCMVUSGZIA-AAVRWANBSA-N 2 0 240.391 1.373 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400974235 411167851 /nfs/dbraw/zinc/16/78/51/411167851.db2.gz RBYFYPGELIKLCV-ZOBORPQBSA-N 2 0 240.391 1.229 20 0 BDADRP CCC[C@@H]([NH3+])c1cn(C2CC[NH2+]CC2)nn1 ZINC000656457171 411266966 /nfs/dbraw/zinc/26/69/66/411266966.db2.gz QPTAGMNLWXTXGW-SNVBAGLBSA-N 2 0 223.324 1.003 20 0 BDADRP CCCC[N@H+](CCOC)C[C@@H]1CC[NH2+]C1 ZINC000309840486 411268605 /nfs/dbraw/zinc/26/86/05/411268605.db2.gz OOUHLQGDZIEIPF-GFCCVEGCSA-N 2 0 214.353 1.344 20 0 BDADRP CC[N@H+](CC[C@H]1CCC[NH2+]C1)[C@H]1CCCOC1 ZINC000402608127 411273369 /nfs/dbraw/zinc/27/33/69/411273369.db2.gz VMLDCHLZLYVEEO-KGLIPLIRSA-N 2 0 240.391 1.877 20 0 BDADRP CCC[C@@H]([NH3+])c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000656467624 411279178 /nfs/dbraw/zinc/27/91/78/411279178.db2.gz PWYUXIWFKPPZFG-VHSXEESVSA-N 2 0 223.324 1.003 20 0 BDADRP CCC(CC)C[NH2+]CC1([NH3+])CCOCC1 ZINC000130413512 411281814 /nfs/dbraw/zinc/28/18/14/411281814.db2.gz DFOGGYRLXILEMY-UHFFFAOYSA-N 2 0 214.353 1.520 20 0 BDADRP CC[N@H+](C[C@H]1CC[NH2+]C1)C[C@@H]1CCCO1 ZINC000051889635 411285350 /nfs/dbraw/zinc/28/53/50/411285350.db2.gz JKPLZCDCHLMLPS-RYUDHWBXSA-N 2 0 212.337 1.097 20 0 BDADRP CCOC1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000051919096 411286369 /nfs/dbraw/zinc/28/63/69/411286369.db2.gz JOFBHVRQQDMYLF-ZDUSSCGKSA-N 2 0 240.391 1.877 20 0 BDADRP CCOC1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000062911492 411329129 /nfs/dbraw/zinc/32/91/29/411329129.db2.gz DAYJNXGYQJYDEE-ZDUSSCGKSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](NCC[N@H+](C)C2CCCC2)C1 ZINC000401737951 411305930 /nfs/dbraw/zinc/30/59/30/411305930.db2.gz PZLUNBXFNOFSEQ-STQMWFEESA-N 2 0 239.407 1.448 20 0 BDADRP CCN(C)C[C@@H](O)C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000656701356 411325247 /nfs/dbraw/zinc/32/52/47/411325247.db2.gz RFRFVWUDLOYXCL-XQQFMLRXSA-N 2 0 226.364 1.173 20 0 BDADRP C[NH2+]CCC[NH2+]Cc1ccc2c(c1)C[NH2+]CC2 ZINC000656787482 411365853 /nfs/dbraw/zinc/36/58/53/411365853.db2.gz ZGHPTQHFUHDZTQ-UHFFFAOYSA-N 3 0 233.359 1.031 20 0 BDADRP [NH3+][C@@H](CNCc1ccc2c(c1)C[NH2+]CC2)C1CC1 ZINC000656787290 411366052 /nfs/dbraw/zinc/36/60/52/411366052.db2.gz WSJAFZXJLDJGCU-HNNXBMFYSA-N 2 0 245.370 1.159 20 0 BDADRP c1cc2c(cc1CNC[C@H]1CCC[NH2+]1)C[NH2+]CC2 ZINC000656787051 411366366 /nfs/dbraw/zinc/36/63/66/411366366.db2.gz SEMULUXJIGJOFF-OAHLLOKOSA-N 2 0 245.370 1.174 20 0 BDADRP C[N@H+](CC1=CCCOC1)C[C@@]1(C)CC[NH2+]C1 ZINC000656791057 411370496 /nfs/dbraw/zinc/37/04/96/411370496.db2.gz RLTWXRUTDXLAEH-ZDUSSCGKSA-N 2 0 224.348 1.265 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)CC[NH2+]1 ZINC000656791487 411370535 /nfs/dbraw/zinc/37/05/35/411370535.db2.gz HRRUAOJCMURFOV-AAVRWANBSA-N 2 0 238.375 1.343 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[C@@H](C)O[C@@H](C)C1 ZINC000656792557 411371789 /nfs/dbraw/zinc/37/17/89/411371789.db2.gz SLSVAKBJOWJDEM-AGIUHOORSA-N 2 0 228.380 1.859 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH2+]CCCC1CCC1 ZINC000656710362 411335484 /nfs/dbraw/zinc/33/54/84/411335484.db2.gz JAJCALGBNCMXQB-ZDUSSCGKSA-N 2 0 228.380 1.469 20 0 BDADRP CC[C@@H](C)CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000656703417 411339319 /nfs/dbraw/zinc/33/93/19/411339319.db2.gz ALXLDDASJABPMY-OLZOCXBDSA-N 2 0 228.380 1.469 20 0 BDADRP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000656791753 411372537 /nfs/dbraw/zinc/37/25/37/411372537.db2.gz JLLXGYOPYRHAKJ-FRRDWIJNSA-N 2 0 226.364 1.328 20 0 BDADRP CC1(C)[C@@H]2C[N@@H+](CCC3CC[NH2+]CC3)C[C@@H]21 ZINC000335759029 168012678 /nfs/dbraw/zinc/01/26/78/168012678.db2.gz QFLYHTVWRXMNQN-BETUJISGSA-N 2 0 222.376 1.964 20 0 BDADRP CC1([NH2+]C[C@@H]2CCC[NH2+]C2)CCOCC1 ZINC000229894690 168063245 /nfs/dbraw/zinc/06/32/45/168063245.db2.gz WESOOELRETTXCI-LLVKDONJSA-N 2 0 212.337 1.145 20 0 BDADRP C[C@@H]1CCC[N@H+](CC2CCOCC2)[C@H]1CC[NH3+] ZINC000404299985 411389885 /nfs/dbraw/zinc/38/98/85/411389885.db2.gz PRSCZFWEAOYPPG-OCCSQVGLSA-N 2 0 240.391 1.862 20 0 BDADRP CC(C)OCC[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404360389 411391497 /nfs/dbraw/zinc/39/14/97/411391497.db2.gz DYDWUVATLQFHTA-CHWSQXEVSA-N 2 0 228.380 1.861 20 0 BDADRP CO[C@@H](C[N@@H+]1CC[C@H](C[NH+](C)C)C1)C1CCC1 ZINC000659927432 411383895 /nfs/dbraw/zinc/38/38/95/411383895.db2.gz QKIRUHTVPFPIDK-OCCSQVGLSA-N 2 0 240.391 1.685 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2COC(C)(C)C2)C1 ZINC000659929113 411384638 /nfs/dbraw/zinc/38/46/38/411384638.db2.gz WYSOCGNDSODJNI-NWDGAFQWSA-N 2 0 226.364 1.437 20 0 BDADRP C[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2COC(C)(C)C2)C1 ZINC000659929111 411384864 /nfs/dbraw/zinc/38/48/64/411384864.db2.gz WYSOCGNDSODJNI-NEPJUHHUSA-N 2 0 226.364 1.437 20 0 BDADRP Cc1c[nH]c(CN[C@H]2CC[N@@H+]3CCCC[C@H]23)n1 ZINC000657312909 411460589 /nfs/dbraw/zinc/46/05/89/411460589.db2.gz MCAPRYBMXCEVPY-NWDGAFQWSA-N 2 0 234.347 1.435 20 0 BDADRP COCCCC[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404427702 411396246 /nfs/dbraw/zinc/39/62/46/411396246.db2.gz MRNCJLMHBREFJU-CHWSQXEVSA-N 2 0 228.380 1.862 20 0 BDADRP CC(C)O[C@@H]1CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000404503945 411399163 /nfs/dbraw/zinc/39/91/63/411399163.db2.gz FXKSPTMCYPSHLW-KGLIPLIRSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@@H]1C[C@@H](C[NH2+][C@H](C)CC[NH3+])CCO1 ZINC000414888325 411461212 /nfs/dbraw/zinc/46/12/12/411461212.db2.gz FGPJBIBYASYWOS-GRYCIOLGSA-N 2 0 214.353 1.519 20 0 BDADRP FC1(F)CC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647795903 411401110 /nfs/dbraw/zinc/40/11/10/411401110.db2.gz YZWVXAZIBBDQON-LPEHRKFASA-N 2 0 230.302 1.762 20 0 BDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCc1cn[nH]c1 ZINC000380969869 411404152 /nfs/dbraw/zinc/40/41/52/411404152.db2.gz FGYNNSCZUZBYHS-GFCCVEGCSA-N 2 0 224.352 1.257 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](CC)C2)CO1 ZINC000657315445 411461653 /nfs/dbraw/zinc/46/16/53/411461653.db2.gz NCJXATCQGSXEBI-FRRDWIJNSA-N 2 0 226.364 1.485 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653054414 411407266 /nfs/dbraw/zinc/40/72/66/411407266.db2.gz SDCFGZRFMLUWQP-LLVKDONJSA-N 2 0 241.379 1.010 20 0 BDADRP C[C@]1(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CCOC1 ZINC000397229566 411410509 /nfs/dbraw/zinc/41/05/09/411410509.db2.gz PTFPACQKMGITOB-GRYCIOLGSA-N 2 0 212.337 1.273 20 0 BDADRP C[C@H](O)C[N@@H+](Cc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000647880306 411412226 /nfs/dbraw/zinc/41/22/26/411412226.db2.gz FCAVLJDYELXGIQ-DZGCQCFKSA-N 2 0 248.370 1.479 20 0 BDADRP CO[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000226436343 411429643 /nfs/dbraw/zinc/42/96/43/411429643.db2.gz SBMKYFRDUKQKNM-VXGBXAGGSA-N 2 0 212.337 1.097 20 0 BDADRP CCO[C@@H]1C[N@H+](Cc2ccc(C)cc2)C[C@H]1C[NH3+] ZINC000405487395 411432228 /nfs/dbraw/zinc/43/22/28/411432228.db2.gz YXVHKVGYQKBJSJ-HUUCEWRRSA-N 2 0 248.370 1.791 20 0 BDADRP CCO[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1C[NH3+] ZINC000405519181 411432707 /nfs/dbraw/zinc/43/27/07/411432707.db2.gz INRNRQXFAQRCDF-ZIAGYGMSSA-N 2 0 240.391 1.862 20 0 BDADRP C[C@@H]1CN(CC[NH2+]C(C)(C)C)[C@@H](C)C[NH2+]1 ZINC000414768411 411445052 /nfs/dbraw/zinc/44/50/52/411445052.db2.gz VAHMPBYQQHZNPN-MNOVXSKESA-N 2 0 213.369 1.057 20 0 BDADRP C[C@H]1[C@H](C)[N@H+](C)CCN1CC[NH2+]C(C)(C)C ZINC000414764748 411445253 /nfs/dbraw/zinc/44/52/53/411445253.db2.gz ZDBFJKMWDDMXTP-RYUDHWBXSA-N 2 0 227.396 1.399 20 0 BDADRP CC(C)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657287532 411447237 /nfs/dbraw/zinc/44/72/37/411447237.db2.gz PUNCTRKRIUWYNF-UHFFFAOYSA-N 2 0 216.288 1.765 20 0 BDADRP COc1ccccc1C[C@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC000414824188 411448212 /nfs/dbraw/zinc/44/82/12/411448212.db2.gz QHQLOWIWXBPTIS-RYUDHWBXSA-N 2 0 236.359 1.953 20 0 BDADRP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CCC[NH3+] ZINC000415089123 411491614 /nfs/dbraw/zinc/49/16/14/411491614.db2.gz MTEUZNRLPABENH-GXFFZTMASA-N 2 0 204.317 1.858 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@H]2CCC[C@H]2OC)CC1 ZINC000341882865 169956034 /nfs/dbraw/zinc/95/60/34/169956034.db2.gz HIHYUEPQBKYUOR-TZMCWYRMSA-N 2 0 240.391 1.875 20 0 BDADRP C[NH+](C)C1CC(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000655793043 411515711 /nfs/dbraw/zinc/51/57/11/411515711.db2.gz MWRRPUHGXOIQDX-ZIHBUVQPSA-N 2 0 237.391 1.295 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCOC2(C)C)C1 ZINC000655804422 411519671 /nfs/dbraw/zinc/51/96/71/411519671.db2.gz YKZYIYBZHNTHPA-TUAOUCFPSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)[C@@H]1C ZINC000655804087 411519714 /nfs/dbraw/zinc/51/97/14/411519714.db2.gz OSJALCRLNYOYRK-NJMOYASZSA-N 2 0 210.365 1.961 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CCO1 ZINC000655805703 411520246 /nfs/dbraw/zinc/52/02/46/411520246.db2.gz RHMXXXMKBFZJEE-ZDEQEGDKSA-N 2 0 226.364 1.484 20 0 BDADRP COC[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)C(C)C ZINC000655806309 411520538 /nfs/dbraw/zinc/52/05/38/411520538.db2.gz UTVVPNSVHOHWDB-XQQFMLRXSA-N 2 0 228.380 1.587 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)C1CCOCC1 ZINC000655806119 411520726 /nfs/dbraw/zinc/52/07/26/411520726.db2.gz PKZHOZCOAPLGBT-SGMGOOAPSA-N 2 0 240.391 1.731 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCSC2)C1 ZINC000655807966 411521570 /nfs/dbraw/zinc/52/15/70/411521570.db2.gz YENWHSURJJVYPE-MXWKQRLJSA-N 2 0 214.378 1.422 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]CC2(F)CC2)C1 ZINC000655824323 411526350 /nfs/dbraw/zinc/52/63/50/411526350.db2.gz JGZDFRAYKCREGR-AOOOYVTPSA-N 2 0 200.301 1.418 20 0 BDADRP CC[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CO1 ZINC000657483147 411529333 /nfs/dbraw/zinc/52/93/33/411529333.db2.gz KUFJLTWDULRXNI-HVUVFQHFSA-N 2 0 238.375 1.769 20 0 BDADRP CC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371299445 170005647 /nfs/dbraw/zinc/00/56/47/170005647.db2.gz HAWMDVSBFFVRPD-QJPTWQEYSA-N 2 0 212.337 1.190 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOCC2CC2)[C@H](C)C1 ZINC000358078802 170012354 /nfs/dbraw/zinc/01/23/54/170012354.db2.gz DKAOYPZVBUKNAP-TZMCWYRMSA-N 2 0 240.391 1.733 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCC(C)(C)O)[C@@H](C)C1 ZINC000336776241 170012697 /nfs/dbraw/zinc/01/26/97/170012697.db2.gz FFWPGSMREZODJT-NWDGAFQWSA-N 2 0 228.380 1.467 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2CCCOC2)C1 ZINC000356855250 170017362 /nfs/dbraw/zinc/01/73/62/170017362.db2.gz UZYCBNVVYWJZDO-MGPQQGTHSA-N 2 0 240.391 1.733 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC[C@@H](C)O)[C@@H](C)C1 ZINC000336730885 170018070 /nfs/dbraw/zinc/01/80/70/170018070.db2.gz YJRUQKRNGZWRPV-MJBXVCDLSA-N 2 0 242.407 1.810 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)C(C)C)C[C@H]1C ZINC000336710125 170019168 /nfs/dbraw/zinc/01/91/68/170019168.db2.gz OUVFDSAHVKAFNK-RDBSUJKOSA-N 2 0 242.407 1.808 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cnccn2)[C@@H](C)C1 ZINC000341887057 170020907 /nfs/dbraw/zinc/02/09/07/170020907.db2.gz KEFQGJDNPRKXLA-JSGCOSHPSA-N 2 0 248.374 1.339 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CCC[C@H](C)CO)[C@H](C)C1 ZINC000358363858 170021274 /nfs/dbraw/zinc/02/12/74/170021274.db2.gz FDORNTSKASLCFH-MJBXVCDLSA-N 2 0 242.407 1.715 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CCC[C@@H](C)CO)[C@H](C)C1 ZINC000358363856 170021704 /nfs/dbraw/zinc/02/17/04/170021704.db2.gz FDORNTSKASLCFH-MCIONIFRSA-N 2 0 242.407 1.715 20 0 BDADRP Cn1cc(C[NH2+]C[C@@H]2CCN2C(C)(C)C)cn1 ZINC000657522195 411540421 /nfs/dbraw/zinc/54/04/21/411540421.db2.gz BJHQZKGPEYIEAU-LBPRGKRZSA-N 2 0 236.363 1.383 20 0 BDADRP OC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCC1 ZINC000657559773 411550843 /nfs/dbraw/zinc/55/08/43/411550843.db2.gz QSRDEZGBZBLGKI-IHRRRGAJSA-N 2 0 238.375 1.364 20 0 BDADRP CC[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000053658913 170111778 /nfs/dbraw/zinc/11/17/78/170111778.db2.gz JWRRUIBECDRAIS-UHFFFAOYSA-N 2 0 233.359 1.903 20 0 BDADRP CC[NH2+][C@H](C)CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC000358915477 170157873 /nfs/dbraw/zinc/15/78/73/170157873.db2.gz OVFFYFKSUMMCNU-VXGBXAGGSA-N 2 0 243.395 1.221 20 0 BDADRP CC(C)C[C@@H](CO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657629237 411566482 /nfs/dbraw/zinc/56/64/82/411566482.db2.gz QNPCSHOMKHONFJ-RDBSUJKOSA-N 2 0 240.391 1.610 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000657611178 411563049 /nfs/dbraw/zinc/56/30/49/411563049.db2.gz KSEZDVZKHZGETA-AAVRWANBSA-N 2 0 238.375 1.770 20 0 BDADRP CCOC1(C[NH2+][C@H]2CN(C)C[C@H]2C)CCCC1 ZINC000339475502 170319976 /nfs/dbraw/zinc/31/99/76/170319976.db2.gz FPFVXYTWOPTARK-OLZOCXBDSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]1CN(C)C[C@H]1[NH2+]CCC(C)(C)F ZINC000657645394 411569161 /nfs/dbraw/zinc/56/91/61/411569161.db2.gz UTWOTTQOEQZDAT-VHSXEESVSA-N 2 0 202.317 1.664 20 0 BDADRP C([NH2+][C@H]1CCOC1)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663345931 411633232 /nfs/dbraw/zinc/63/32/32/411633232.db2.gz PDOPOQKHZXNFIN-KGLIPLIRSA-N 2 0 238.375 1.487 20 0 BDADRP C[NH+](C)[C@@H]1CCC[N@@H+]([C@H]2COC(C)(C)C2)CC1 ZINC000660415158 411581198 /nfs/dbraw/zinc/58/11/98/411581198.db2.gz ALDRBSOLWOIQSS-CHWSQXEVSA-N 2 0 240.391 1.970 20 0 BDADRP CC1=C[C@@H](C)CN(C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000660460061 411587924 /nfs/dbraw/zinc/58/79/24/411587924.db2.gz QBZWAFBAPCCAON-OCCSQVGLSA-N 2 0 240.391 1.586 20 0 BDADRP COC(C)(C)CC[N@@H+]1CCn2cncc2C1 ZINC000660582509 411603234 /nfs/dbraw/zinc/60/32/34/411603234.db2.gz USIQHTXNDSITFG-UHFFFAOYSA-N 2 0 223.320 1.514 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+]([C@H]3COC(C)(C)C3)C2)C1 ZINC000660616125 411608033 /nfs/dbraw/zinc/60/80/33/411608033.db2.gz GYRYAQIMWJEQFC-TZMCWYRMSA-N 2 0 238.375 1.582 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(CO)cc2)CC[N@@H+]1C ZINC000133121944 411621787 /nfs/dbraw/zinc/62/17/87/411621787.db2.gz GOZIUUAOASGQDA-WFASDCNBSA-N 2 0 248.370 1.751 20 0 BDADRP Nc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@]12C[C@H]1C[NH2+]C2 ZINC000663496953 411679120 /nfs/dbraw/zinc/67/91/20/411679120.db2.gz JMMMAYBJRAGUIO-TUKIKUTGSA-N 2 0 243.354 1.455 20 0 BDADRP CC1CCC([NH2+]CC23CC(C2)C[NH2+]3)CC1 ZINC000663497316 411679746 /nfs/dbraw/zinc/67/97/46/411679746.db2.gz DOZUWXKOZNRPFM-UHFFFAOYSA-N 2 0 208.349 1.907 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+]C1CCC([NH3+])CC1 ZINC000663504217 411687310 /nfs/dbraw/zinc/68/73/10/411687310.db2.gz WFOTUWNVTQLETM-HTAVTVPLSA-N 3 0 213.369 1.219 20 0 BDADRP C[NH2+]C[C@H](C)[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000663510721 411691345 /nfs/dbraw/zinc/69/13/45/411691345.db2.gz RERJUKAYDPNDPX-SDDRHHMPSA-N 2 0 214.353 1.388 20 0 BDADRP Cc1cc(CO)cc(NCC2=CC[N@H+](C)CC2)n1 ZINC000663776360 411745079 /nfs/dbraw/zinc/74/50/79/411745079.db2.gz RBBIGNPBVNJKPB-UHFFFAOYSA-N 2 0 247.342 1.556 20 0 BDADRP C[C@@H](C[NH+](C)C)Nc1[nH+]ccc2[nH]ccc21 ZINC000663911229 411772803 /nfs/dbraw/zinc/77/28/03/411772803.db2.gz BCEDBBIAUQMVKN-VIFPVBQESA-N 2 0 218.304 1.925 20 0 BDADRP CN(CC[C@H]1CCC[N@@H+]1C)CC1=CCCOC1 ZINC000661653514 411831866 /nfs/dbraw/zinc/83/18/66/411831866.db2.gz LBPXSGJIBJUTLQ-CQSZACIVSA-N 2 0 238.375 1.749 20 0 BDADRP CCc1nc(C)cc(N(C)CC2C[NH+](C)C2)n1 ZINC000664331582 411922478 /nfs/dbraw/zinc/92/24/78/411922478.db2.gz YSKCVOWQBDGIDO-UHFFFAOYSA-N 2 0 234.347 1.345 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000662139318 412001116 /nfs/dbraw/zinc/00/11/16/412001116.db2.gz ATYGBXMJHXKGHU-KBPBESRZSA-N 2 0 242.407 1.669 20 0 BDADRP CC[C@@H](C)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662152701 412009867 /nfs/dbraw/zinc/00/98/67/412009867.db2.gz XVSRAHBGBLTJPG-DGCLKSJQSA-N 2 0 226.364 1.316 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662034514 411953392 /nfs/dbraw/zinc/95/33/92/411953392.db2.gz NPRIXJHNLGYKKI-HZSPNIEDSA-N 2 0 238.375 1.439 20 0 BDADRP CO[C@@H](C[N@H+](C)CCC[NH3+])C1CCC1 ZINC000662243468 412038810 /nfs/dbraw/zinc/03/88/10/412038810.db2.gz BYBJQOGIJTUZKS-NSHDSACASA-N 2 0 200.326 1.082 20 0 BDADRP CC[NH2+]CC1CC[NH+](Cc2conc2C)CC1 ZINC000662243925 412039872 /nfs/dbraw/zinc/03/98/72/412039872.db2.gz GTSXHGBXEHIESL-UHFFFAOYSA-N 2 0 237.347 1.805 20 0 BDADRP Cc1cc(CN2CCC[C@H]([C@H](C)[NH3+])C2)ncn1 ZINC000662244969 412042042 /nfs/dbraw/zinc/04/20/42/412042042.db2.gz KHMLACWFYIJWMJ-RYUDHWBXSA-N 2 0 234.347 1.344 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000220078488 412043988 /nfs/dbraw/zinc/04/39/88/412043988.db2.gz QLCKKEDDTGRAGL-NEPJUHHUSA-N 2 0 204.317 1.947 20 0 BDADRP C[C@H]1CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662248869 412046751 /nfs/dbraw/zinc/04/67/51/412046751.db2.gz DHTKSBWJVXGOJL-NWDGAFQWSA-N 2 0 224.348 1.239 20 0 BDADRP CCCC[N@H+](CC)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249579 412047557 /nfs/dbraw/zinc/04/75/57/412047557.db2.gz OLZDVTXAMPIVQV-LBPRGKRZSA-N 2 0 226.364 1.629 20 0 BDADRP CC(C)[C@H](C)[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252115 412048647 /nfs/dbraw/zinc/04/86/47/412048647.db2.gz MDHUSJSEGYTEJB-NWDGAFQWSA-N 2 0 226.364 1.484 20 0 BDADRP CC1(C)CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662255888 412051030 /nfs/dbraw/zinc/05/10/30/412051030.db2.gz SEVMSAIDQRYGPU-LLVKDONJSA-N 2 0 224.348 1.239 20 0 BDADRP CC(C)[C@H]1C[N@H+](C[C@H]2CNCCO2)CCS1 ZINC000662259187 412054657 /nfs/dbraw/zinc/05/46/57/412054657.db2.gz RMWMKZVHIOQPPL-VXGBXAGGSA-N 2 0 244.404 1.048 20 0 BDADRP CC1(C)[C@@H]2C[N@@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C[C@@H]21 ZINC000662258292 412054917 /nfs/dbraw/zinc/05/49/17/412054917.db2.gz VGOKSBNDRLQILG-UTUOFQBUSA-N 2 0 236.359 1.095 20 0 BDADRP CCCN(C)CC(C)(C)[NH2+]CC[C@@H](C)O ZINC000662179030 412021906 /nfs/dbraw/zinc/02/19/06/412021906.db2.gz FFHIUIZZAVJCNQ-LLVKDONJSA-N 2 0 216.369 1.467 20 0 BDADRP CC[C@@H]1CC[C@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000336736035 171057458 /nfs/dbraw/zinc/05/74/58/171057458.db2.gz MENJENWJKGCHTC-VXGBXAGGSA-N 2 0 226.364 1.221 20 0 BDADRP CC[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000359208384 171079087 /nfs/dbraw/zinc/07/90/87/171079087.db2.gz BSKZAIULNQJQPF-GXTWGEPZSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1nocc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000662270961 412062577 /nfs/dbraw/zinc/06/25/77/412062577.db2.gz COMSRNSBFTXPIW-NSHDSACASA-N 2 0 223.320 1.544 20 0 BDADRP CC[C@@H]1CO[C@H](C)C[N@@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000233912137 171114076 /nfs/dbraw/zinc/11/40/76/171114076.db2.gz QQAGEOOBHRBZGQ-REWJHTLYSA-N 2 0 240.391 1.874 20 0 BDADRP CCCN1CC[C@H]([NH2+][C@H]2CCOC[C@H]2C)C1 ZINC000328159331 487621726 /nfs/dbraw/zinc/62/17/26/487621726.db2.gz GXLHASVXYCIBDS-AGIUHOORSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1CC[N@H+](CCO[C@H]2CC2(F)F)C[C@@H]1C[NH3+] ZINC000662282755 412072903 /nfs/dbraw/zinc/07/29/03/412072903.db2.gz QJKQRUWKKLYZLP-VWYCJHECSA-N 2 0 248.317 1.327 20 0 BDADRP CC[C@H](C(=O)N[C@H](C)C[N@H+](C)C(C)C)[NH+](C)C ZINC000356761477 171232537 /nfs/dbraw/zinc/23/25/37/171232537.db2.gz FGFLIWMFDSXNIE-VXGBXAGGSA-N 2 0 243.395 1.172 20 0 BDADRP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000251926901 171322514 /nfs/dbraw/zinc/32/25/14/171322514.db2.gz QUOUDLOVKUPYAM-SDDRHHMPSA-N 2 0 241.379 1.008 20 0 BDADRP CC[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000358313382 171339190 /nfs/dbraw/zinc/33/91/90/171339190.db2.gz DBZLQZLESKZTIH-UBHSHLNASA-N 2 0 240.391 1.752 20 0 BDADRP CC[C@H](C)[C@@H](C[NH2+][C@@H](C)CCC[NH3+])OC ZINC000362977646 171368903 /nfs/dbraw/zinc/36/89/03/171368903.db2.gz SOMISLACCZEYTJ-SDDRHHMPSA-N 2 0 216.369 1.765 20 0 BDADRP C[C@H](CO)[C@@H]1CCCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000662301740 412089802 /nfs/dbraw/zinc/08/98/02/412089802.db2.gz SCKLWUSGUBCDLI-RDBSUJKOSA-N 2 0 240.391 1.469 20 0 BDADRP C([C@@H]1CC[NH2+]C1)[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000662314201 412095924 /nfs/dbraw/zinc/09/59/24/412095924.db2.gz BPOHKBWWHUCTSY-CHWSQXEVSA-N 2 0 224.348 1.098 20 0 BDADRP C([C@H]1CC[NH2+]C1)[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000662314205 412096442 /nfs/dbraw/zinc/09/64/42/412096442.db2.gz BPOHKBWWHUCTSY-QWHCGFSZSA-N 2 0 224.348 1.098 20 0 BDADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000662316744 412097715 /nfs/dbraw/zinc/09/77/15/412097715.db2.gz MKIOEENNWGMIJC-KBPBESRZSA-N 2 0 240.391 1.469 20 0 BDADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000662316748 412098926 /nfs/dbraw/zinc/09/89/26/412098926.db2.gz MKIOEENNWGMIJC-UONOGXRCSA-N 2 0 240.391 1.469 20 0 BDADRP CO[C@@H](C)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662326188 412103122 /nfs/dbraw/zinc/10/31/22/412103122.db2.gz VZYBSNAFIGHQOZ-QWHCGFSZSA-N 2 0 244.379 1.064 20 0 BDADRP [NH3+][C@@H]1CN(CCC[NH+]2CCCCC2)CC[C@H]1F ZINC000662326333 412103358 /nfs/dbraw/zinc/10/33/58/412103358.db2.gz RPOAJHPREAWOKB-CHWSQXEVSA-N 2 0 243.370 1.234 20 0 BDADRP CC(C)(C)[N@@H+]1CC[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000665236554 412175724 /nfs/dbraw/zinc/17/57/24/412175724.db2.gz PBTGLNOITCSGRK-XQQFMLRXSA-N 2 0 239.407 1.719 20 0 BDADRP CC(C)(C)[N@@H+]1CC[C@H](N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000665236552 412175737 /nfs/dbraw/zinc/17/57/37/412175737.db2.gz PBTGLNOITCSGRK-AVGNSLFASA-N 2 0 239.407 1.719 20 0 BDADRP Cc1ccncc1CC[NH2+][C@H](C)C1C[NH2+]C1 ZINC000665238935 412180153 /nfs/dbraw/zinc/18/01/53/412180153.db2.gz HWIINIHWSSBDAT-LLVKDONJSA-N 2 0 219.332 1.130 20 0 BDADRP Cc1ccncc1CC[NH2+][C@H]1CNCC[C@@H]1C ZINC000665239695 412180783 /nfs/dbraw/zinc/18/07/83/412180783.db2.gz XQWOSQRNGBUNTB-JSGCOSHPSA-N 2 0 233.359 1.520 20 0 BDADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C/C=C\CO ZINC000665239144 412181115 /nfs/dbraw/zinc/18/11/15/412181115.db2.gz MWKWKMWSWOPRKU-UMBAGQNISA-N 2 0 235.331 1.048 20 0 BDADRP CC[C@@H]([NH2+]C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000662472773 412188700 /nfs/dbraw/zinc/18/87/00/412188700.db2.gz AUUXPZOCSHUPQC-WDEREUQCSA-N 2 0 243.395 1.077 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1NCC1([NH3+])CCCC1 ZINC000665247030 412191233 /nfs/dbraw/zinc/19/12/33/412191233.db2.gz UGXFBWZMQIPCAI-RYUDHWBXSA-N 2 0 225.380 1.236 20 0 BDADRP CC[C@@H]([NH2+]CC1([NH3+])CCCC1)[C@H]1CCOC1 ZINC000665248861 412194176 /nfs/dbraw/zinc/19/41/76/412194176.db2.gz DQPJNMSUVXVISJ-NWDGAFQWSA-N 2 0 226.364 1.663 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@]1(C)CC1(F)F ZINC000665266810 412204854 /nfs/dbraw/zinc/20/48/54/412204854.db2.gz KFNPWIABEIVGTI-ZJUUUORDSA-N 2 0 236.306 1.375 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccoc1 ZINC000665262951 412205036 /nfs/dbraw/zinc/20/50/36/412205036.db2.gz CKSSJDGEDRLIQG-STQMWFEESA-N 2 0 222.332 1.929 20 0 BDADRP C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCC[C@H]2C[NH3+])O1 ZINC000665265114 412208836 /nfs/dbraw/zinc/20/88/36/412208836.db2.gz PQJSCCIVXHPZQT-XQHKEYJVSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CC1(F)F ZINC000665265022 412209206 /nfs/dbraw/zinc/20/92/06/412209206.db2.gz NXWNQBABLFRHPJ-OPRDCNLKSA-N 2 0 218.291 1.749 20 0 BDADRP CCC[NH2+]CCNC(=O)c1cccc2c1C[NH2+]C2 ZINC000662550086 412212641 /nfs/dbraw/zinc/21/26/41/412212641.db2.gz ZXQBOZKKKOEZEN-UHFFFAOYSA-N 2 0 247.342 1.019 20 0 BDADRP Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000665273288 412213466 /nfs/dbraw/zinc/21/34/66/412213466.db2.gz TYFOESQNPAQCSD-HZSPNIEDSA-N 2 0 231.343 1.726 20 0 BDADRP COC1([C@H](C)[NH2+]CCCC[NH+](C)C)CCC1 ZINC000665218035 412155173 /nfs/dbraw/zinc/15/51/73/412155173.db2.gz IIELVADAPVWLSZ-LBPRGKRZSA-N 2 0 228.380 1.875 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000662420599 412161211 /nfs/dbraw/zinc/16/12/11/412161211.db2.gz DDQUCDULSBCJSS-FBIMIBRVSA-N 2 0 233.315 1.382 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CCC1CC(OC)C1 ZINC000665230400 412163999 /nfs/dbraw/zinc/16/39/99/412163999.db2.gz NZETVWUMACZHJS-CPCZMJQVSA-N 2 0 244.379 1.145 20 0 BDADRP COC1CC(CC[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000665230292 412168539 /nfs/dbraw/zinc/16/85/39/412168539.db2.gz MFSUJTXAASXYQW-ABXWRUBCSA-N 2 0 240.391 1.779 20 0 BDADRP Nc1cccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000665232048 412170829 /nfs/dbraw/zinc/17/08/29/412170829.db2.gz FBZLAXXAPZJBCR-OCCSQVGLSA-N 2 0 233.359 1.876 20 0 BDADRP C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665280081 412224374 /nfs/dbraw/zinc/22/43/74/412224374.db2.gz SMCFGUHXXNQVJM-FRAWFVRRSA-N 2 0 220.360 1.907 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000665282095 412226210 /nfs/dbraw/zinc/22/62/10/412226210.db2.gz QOXFXXIJYPJRBA-QJPTWQEYSA-N 2 0 213.369 1.090 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000665281449 412226540 /nfs/dbraw/zinc/22/65/40/412226540.db2.gz COXMATQAHJLJBG-JHJVBQTASA-N 2 0 228.380 1.765 20 0 BDADRP CC(C)([NH3+])CC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662621144 412244668 /nfs/dbraw/zinc/24/46/68/412244668.db2.gz FAXYOTUOGRWZHH-JTQLQIEISA-N 2 0 241.379 1.103 20 0 BDADRP C[NH2+]C[C@H](C)N[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000665297442 412245229 /nfs/dbraw/zinc/24/52/29/412245229.db2.gz FZVMNMOGKIIYDL-XDQVBPFNSA-N 2 0 239.407 1.495 20 0 BDADRP C[NH2+]C[C@H](C)[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000665298483 412246198 /nfs/dbraw/zinc/24/61/98/412246198.db2.gz WWAGENOBAOBNPH-DCAQKATOSA-N 2 0 200.326 1.142 20 0 BDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)[NH3+] ZINC000662845562 412319445 /nfs/dbraw/zinc/31/94/45/412319445.db2.gz UORPTWFGNPXOHR-NSHDSACASA-N 2 0 241.379 1.057 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C(=O)N[C@]2(C)CC[NH2+]C2)cc1 ZINC000663013116 412370839 /nfs/dbraw/zinc/37/08/39/412370839.db2.gz JJUNBHPROHSONF-QMTHXVAHSA-N 2 0 247.342 1.188 20 0 BDADRP CCc1nn(C)cc1C[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000356291907 172041066 /nfs/dbraw/zinc/04/10/66/172041066.db2.gz WLVQLCWGDDDHID-GWCFXTLKSA-N 2 0 236.363 1.022 20 0 BDADRP CCn1cc(CN2CC[C@@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000229084929 172164641 /nfs/dbraw/zinc/16/46/41/172164641.db2.gz DWCASYPNOGTYRM-YPMHNXCESA-N 2 0 236.363 1.320 20 0 BDADRP CCn1nccc1CN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000125347510 172272983 /nfs/dbraw/zinc/27/29/83/172272983.db2.gz DMTFGLBTWHWSFW-NEPJUHHUSA-N 2 0 236.363 1.475 20 0 BDADRP C[NH+](C)C(C)(C)CNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000040807188 172395820 /nfs/dbraw/zinc/39/58/20/172395820.db2.gz QVGZKPAGJJOPBI-LBPRGKRZSA-N 2 0 249.358 1.143 20 0 BDADRP Cn1cncc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000353572674 172405198 /nfs/dbraw/zinc/40/51/98/172405198.db2.gz YRIKJSDDEQCBGY-UHFFFAOYSA-N 2 0 236.363 1.383 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1CNc1cc[nH+]cc1 ZINC000044563145 173004223 /nfs/dbraw/zinc/00/42/23/173004223.db2.gz VFKLQFAXYQEPCP-GFCCVEGCSA-N 2 0 205.305 1.978 20 0 BDADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](O)CC1 ZINC000334245608 173008081 /nfs/dbraw/zinc/00/80/81/173008081.db2.gz SYCVIMHDAYTLJG-KBPBESRZSA-N 2 0 240.391 1.708 20 0 BDADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1C[C@H](O)C2(CC2)C1 ZINC000335681852 173008103 /nfs/dbraw/zinc/00/81/03/173008103.db2.gz QNYUVEXMGQYKIH-STQMWFEESA-N 2 0 238.375 1.318 20 0 BDADRP CN1CCC[C@@H]([NH2+]C[C@@H]2CCC=CO2)C1 ZINC000050269484 173020544 /nfs/dbraw/zinc/02/05/44/173020544.db2.gz ZNQMQRPNLGLPOI-NEPJUHHUSA-N 2 0 210.321 1.363 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](CO)C1 ZINC000305635258 173026971 /nfs/dbraw/zinc/02/69/71/173026971.db2.gz GVXPOWVMAYHYKU-QWHCGFSZSA-N 2 0 226.364 1.175 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]2OCC[C@H]21 ZINC000369783649 173050600 /nfs/dbraw/zinc/05/06/00/173050600.db2.gz KDDLOQPYOAMFOA-BFHYXJOUSA-N 2 0 238.375 1.724 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@](C)(O)CC1 ZINC000336543064 173050702 /nfs/dbraw/zinc/05/07/02/173050702.db2.gz FMLQYTZQVRCBPA-UONOGXRCSA-N 2 0 240.391 1.708 20 0 BDADRP C[N@@H+]1CCC[C@H]2CN(CC(C)(C)[NH3+])CC[C@@H]21 ZINC000220918266 173060594 /nfs/dbraw/zinc/06/05/94/173060594.db2.gz QANFDHHARPRJOT-RYUDHWBXSA-N 2 0 225.380 1.140 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CC2(C)COC2)[C@@H]2CCC[C@@H]21 ZINC000368617010 173152068 /nfs/dbraw/zinc/15/20/68/173152068.db2.gz VUAVEKQNAIITDW-AVGNSLFASA-N 2 0 238.375 1.485 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CCF)[C@H]2CCC[C@H]21 ZINC000306939466 173152254 /nfs/dbraw/zinc/15/22/54/173152254.db2.gz KMAWFFWXGOEKAX-OUAUKWLOSA-N 2 0 200.301 1.418 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)O)[C@@H]2CCC[C@H]21 ZINC000309485089 173152417 /nfs/dbraw/zinc/15/24/17/173152417.db2.gz VDIYMHOJTQHRFZ-SDDRHHMPSA-N 2 0 226.364 1.220 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CCc2cn[nH]c2)[C@@H]2CCC[C@@H]21 ZINC000353609185 173152552 /nfs/dbraw/zinc/15/25/52/173152552.db2.gz BGZSDXQZMFMCRJ-IHRRRGAJSA-N 2 0 248.374 1.415 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CCCCO)[C@@H]2CCC[C@@H]21 ZINC000375849203 173152725 /nfs/dbraw/zinc/15/27/25/173152725.db2.gz GGDLRTYASSENRF-AVGNSLFASA-N 2 0 226.364 1.221 20 0 BDADRP Cn1nccc1C[NH2+][C@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000367616172 173153031 /nfs/dbraw/zinc/15/30/31/173153031.db2.gz LJMKKGUEXORFJX-RDBSUJKOSA-N 2 0 248.374 1.383 20 0 BDADRP Cn1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cn1 ZINC000353401921 173153887 /nfs/dbraw/zinc/15/38/87/173153887.db2.gz IYQCVPNVWZMWSP-IHRRRGAJSA-N 2 0 248.374 1.383 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+](CCC(C)(C)O)C2)C1 ZINC000309274829 173167751 /nfs/dbraw/zinc/16/77/51/173167751.db2.gz DOVKKOFCONLSOM-ZDUSSCGKSA-N 2 0 226.364 1.175 20 0 BDADRP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1ccnc1 ZINC000054629761 173324134 /nfs/dbraw/zinc/32/41/34/173324134.db2.gz KYOQNZICUIKEAV-YHWZYXNKSA-N 2 0 234.347 1.098 20 0 BDADRP C[NH2+]CCC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000069730295 173342868 /nfs/dbraw/zinc/34/28/68/173342868.db2.gz MMNJMXCDQAPKEG-CYBMUJFWSA-N 2 0 226.364 1.344 20 0 BDADRP C[NH2+]CCC1CC[NH+]([C@@H](C)COC)CC1 ZINC000070534505 173343024 /nfs/dbraw/zinc/34/30/24/173343024.db2.gz QXZGLTJOQIWWKM-NSHDSACASA-N 2 0 214.353 1.343 20 0 BDADRP C[NH2+]CCCC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000037610799 173345064 /nfs/dbraw/zinc/34/50/64/173345064.db2.gz NPUFSAMDBSQRDF-GFCCVEGCSA-N 2 0 243.395 1.079 20 0 BDADRP C[NH2+]C[C@@H]1CCCN1CCOC(C)C ZINC000042390570 173368561 /nfs/dbraw/zinc/36/85/61/173368561.db2.gz KSHLHPZBQDNEMT-NSHDSACASA-N 2 0 200.326 1.095 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H]2CCSC2)C1 ZINC000224611791 173371203 /nfs/dbraw/zinc/37/12/03/173371203.db2.gz JBOATPLUCWCLGO-QWRGUYRKSA-N 2 0 214.378 1.281 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)[C@H]2CCCC[NH2+]2)cc1 ZINC000295180269 173388651 /nfs/dbraw/zinc/38/86/51/173388651.db2.gz HJLJVFVHADUHPA-CYBMUJFWSA-N 2 0 247.342 1.487 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)[C@@H]2CCCC[NH2+]2)cc1 ZINC000295180271 173388778 /nfs/dbraw/zinc/38/87/78/173388778.db2.gz HJLJVFVHADUHPA-ZDUSSCGKSA-N 2 0 247.342 1.487 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000295252214 173388854 /nfs/dbraw/zinc/38/88/54/173388854.db2.gz QKYJSGQQHPIUIW-NWDGAFQWSA-N 2 0 247.342 1.472 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000237232020 173389580 /nfs/dbraw/zinc/38/95/80/173389580.db2.gz NVWVNXGTQSYABO-GFCCVEGCSA-N 2 0 233.315 1.097 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)[C@H](C)[NH2+]C2CC2)c1 ZINC000296241877 173389667 /nfs/dbraw/zinc/38/96/67/173389667.db2.gz CQVHVZOQOMHAGE-JTQLQIEISA-N 2 0 247.342 1.485 20 0 BDADRP COC(C)(C)[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000301038610 173950484 /nfs/dbraw/zinc/95/04/84/173950484.db2.gz YEGXGZGZQUSRSN-LLVKDONJSA-N 2 0 228.380 1.731 20 0 BDADRP COCC(C)(C)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357058745 174069190 /nfs/dbraw/zinc/06/91/90/174069190.db2.gz WEKRXNQXJVZTDD-NEPJUHHUSA-N 2 0 226.364 1.200 20 0 BDADRP COCC1(C[NH2+]C2CC(C)C2)CC[NH2+]CC1 ZINC000234710603 174102718 /nfs/dbraw/zinc/10/27/18/174102718.db2.gz HJTTUSRZGXNYSN-UHFFFAOYSA-N 2 0 226.364 1.391 20 0 BDADRP COCCCCC[NH+]1CCC(C[NH3+])CC1 ZINC000309395525 174176815 /nfs/dbraw/zinc/17/68/15/174176815.db2.gz GNEHYEADZQWXKZ-UHFFFAOYSA-N 2 0 214.353 1.474 20 0 BDADRP COCCCCC[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000309461459 174178354 /nfs/dbraw/zinc/17/83/54/174178354.db2.gz OXXHKGYWYHDTIC-NWDGAFQWSA-N 2 0 214.353 1.472 20 0 BDADRP COCCCC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000377387930 174192926 /nfs/dbraw/zinc/19/29/26/174192926.db2.gz CEGLWWKBMAFZQT-ZDUSSCGKSA-N 2 0 228.380 1.829 20 0 BDADRP COCCC[N@H+](C)CCC[NH+]1CCCC1 ZINC000120412338 174215177 /nfs/dbraw/zinc/21/51/77/174215177.db2.gz PQHRIOBGLPBQLR-UHFFFAOYSA-N 2 0 214.353 1.441 20 0 BDADRP COCCC[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000082474964 174228025 /nfs/dbraw/zinc/22/80/25/174228025.db2.gz JJEVZEAWDQQYNJ-JTQLQIEISA-N 2 0 200.326 1.082 20 0 BDADRP COCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000309635786 174250567 /nfs/dbraw/zinc/25/05/67/174250567.db2.gz JKVPXHUFCBPUPH-YNEHKIRRSA-N 2 0 226.364 1.485 20 0 BDADRP COCCC[C@H](C)[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000377803741 174263811 /nfs/dbraw/zinc/26/38/11/174263811.db2.gz ZNCJXGXCRRFFPJ-WDEREUQCSA-N 2 0 237.347 1.672 20 0 BDADRP COCCC[C@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000309055337 174264227 /nfs/dbraw/zinc/26/42/27/174264227.db2.gz UEDXAOQWPYQEMY-RYUDHWBXSA-N 2 0 216.369 1.731 20 0 BDADRP COCC[N@H+](C)CCC[NH2+]Cc1ccn(C)c1 ZINC000123211362 174275179 /nfs/dbraw/zinc/27/51/79/174275179.db2.gz KJKOHWHQDHUQLH-UHFFFAOYSA-N 2 0 239.363 1.083 20 0 BDADRP COCC[N@H+](C)CCC[NH2+]C[C@@H]1C[C@@H]1C ZINC000309036355 174275801 /nfs/dbraw/zinc/27/58/01/174275801.db2.gz IJUQWDSEHOUDRV-RYUDHWBXSA-N 2 0 214.353 1.200 20 0 BDADRP COCC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000372989645 174308401 /nfs/dbraw/zinc/30/84/01/174308401.db2.gz LMVUKXXVHIGYPR-NSHDSACASA-N 2 0 200.326 1.049 20 0 BDADRP COCC[C@@H](C)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357048563 174377817 /nfs/dbraw/zinc/37/78/17/174377817.db2.gz KOMJUELSXUWNRE-TZMCWYRMSA-N 2 0 240.391 1.733 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCC1(C)C ZINC000336656209 174468217 /nfs/dbraw/zinc/46/82/17/174468217.db2.gz AIASAWKRAYPOAO-GHMZBOCLSA-N 2 0 214.353 1.519 20 0 BDADRP COC[C@H]([NH2+][C@@H](C)CCCC[NH3+])C(C)C ZINC000309019338 174584063 /nfs/dbraw/zinc/58/40/63/174584063.db2.gz SUHRCUSSPVVYEM-RYUDHWBXSA-N 2 0 216.369 1.765 20 0 BDADRP COc1cc(C[NH2+][C@H](C)CCC[NH3+])ccn1 ZINC000336653383 174986597 /nfs/dbraw/zinc/98/65/97/174986597.db2.gz JJVNZOKPEONABZ-SNVBAGLBSA-N 2 0 223.320 1.307 20 0 BDADRP COc1ccc(CCN2CCC[C@@H]([NH3+])C2)cc1 ZINC000041029075 175090837 /nfs/dbraw/zinc/09/08/37/175090837.db2.gz BKNMQMXXRYELRS-CYBMUJFWSA-N 2 0 234.343 1.661 20 0 BDADRP COc1ccc(C[NH2+]CCCC[NH3+])cc1F ZINC000037758168 175106845 /nfs/dbraw/zinc/10/68/45/175106845.db2.gz LQNXCTQCQIEYMN-UHFFFAOYSA-N 2 0 226.295 1.663 20 0 BDADRP COc1cccc(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000129120077 175267077 /nfs/dbraw/zinc/26/70/77/175267077.db2.gz PDAAYTTTXZJKDE-CYBMUJFWSA-N 2 0 234.343 1.927 20 0 BDADRP COc1ccccc1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000126888538 175327089 /nfs/dbraw/zinc/32/70/89/175327089.db2.gz GEJBXUYNUIHZTO-RYUDHWBXSA-N 2 0 234.343 1.864 20 0 BDADRP COc1ccccc1C[C@H](C)[NH2+]CCCC[NH3+] ZINC000037715478 175333179 /nfs/dbraw/zinc/33/31/79/175333179.db2.gz IHBWCRWJEMNJKI-LBPRGKRZSA-N 2 0 236.359 1.955 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)C1CCOCC1 ZINC000336738500 175671031 /nfs/dbraw/zinc/67/10/31/175671031.db2.gz KGHHJQLNRIHQPB-NWDGAFQWSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@@H]([NH3+])CC(=O)NCc1ccccc1C[NH+](C)C ZINC000040855300 175803280 /nfs/dbraw/zinc/80/32/80/175803280.db2.gz JGCBEGQYJZFXGC-LLVKDONJSA-N 2 0 249.358 1.102 20 0 BDADRP C[C@@H](c1cccc(O)c1)[N@H+](C)CCOCC[NH3+] ZINC000357083095 176018853 /nfs/dbraw/zinc/01/88/53/176018853.db2.gz INAQATLYZFHDPU-NSHDSACASA-N 2 0 238.331 1.360 20 0 BDADRP C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000100256735 176027824 /nfs/dbraw/zinc/02/78/24/176027824.db2.gz CCRHYKVWDFJYEC-QWRGUYRKSA-N 2 0 205.305 1.423 20 0 BDADRP C[C@@H](c1cccnc1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000122318260 176030905 /nfs/dbraw/zinc/03/09/05/176030905.db2.gz WYJDESBQTYMWOO-GRYCIOLGSA-N 2 0 219.332 1.812 20 0 BDADRP C[C@@H]1CCCC[N@@H+]1CCCNC1CC[NH2+]CC1 ZINC000038040545 176071378 /nfs/dbraw/zinc/07/13/78/176071378.db2.gz SPTMIHQLYFZYMV-CYBMUJFWSA-N 2 0 239.407 1.593 20 0 BDADRP C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000336666555 176132076 /nfs/dbraw/zinc/13/20/76/176132076.db2.gz PVECANOFXZASRW-WXHSDQCUSA-N 2 0 226.364 1.220 20 0 BDADRP C[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000336665851 176150823 /nfs/dbraw/zinc/15/08/23/176150823.db2.gz PVECANOFXZASRW-KGYLQXTDSA-N 2 0 226.364 1.220 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@H]1NCCC[NH+]1CCCC1 ZINC000336775793 176277462 /nfs/dbraw/zinc/27/74/62/176277462.db2.gz CSFAFHIOJIJHDV-CHWSQXEVSA-N 2 0 225.380 1.012 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCC(C)(C)O ZINC000336680926 176278169 /nfs/dbraw/zinc/27/81/69/176278169.db2.gz XVHATPDBINZPTJ-UTUOFQBUSA-N 2 0 228.380 1.466 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCC(C)(C)[NH+](C)C ZINC000036908113 176279208 /nfs/dbraw/zinc/27/92/08/176279208.db2.gz DZOSUHWCFLDIIK-JHJVBQTASA-N 2 0 241.423 1.645 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC(C)(C)CCO ZINC000300412670 176279413 /nfs/dbraw/zinc/27/94/13/176279413.db2.gz UXMYIHMHGIMOHV-JHJVBQTASA-N 2 0 242.407 1.713 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000042815575 176279637 /nfs/dbraw/zinc/27/96/37/176279637.db2.gz LKQWPZJICNIJLN-YIYPIFLZSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCCO1 ZINC000036907949 176279640 /nfs/dbraw/zinc/27/96/40/176279640.db2.gz DMPKCBRDQSIQEM-FVCCEPFGSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccn(C)c1 ZINC000158511772 176280843 /nfs/dbraw/zinc/28/08/43/176280843.db2.gz ZFCBOZLCYLJTHN-YRGRVCCFSA-N 2 0 235.375 1.843 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)CCS1 ZINC000220972588 176298815 /nfs/dbraw/zinc/29/88/15/176298815.db2.gz MZPWLMOHSKYRQO-MNOVXSKESA-N 2 0 214.378 1.423 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)C[C@@H]1CO ZINC000362069875 176292923 /nfs/dbraw/zinc/29/29/23/176292923.db2.gz FXHFKHAZYMAUKK-MCIONIFRSA-N 2 0 240.391 1.421 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)C[C@H]1CO ZINC000362069874 176293767 /nfs/dbraw/zinc/29/37/67/176293767.db2.gz FXHFKHAZYMAUKK-HZSPNIEDSA-N 2 0 240.391 1.421 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)C[C@@H]1N(C)C ZINC000122317747 176293810 /nfs/dbraw/zinc/29/38/10/176293810.db2.gz RBFYVLGVORSIME-RDBSUJKOSA-N 2 0 239.407 1.258 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cccc(O)c2)C[C@@]1(C)C[NH3+] ZINC000310353434 176305486 /nfs/dbraw/zinc/30/54/86/176305486.db2.gz HPBIGPAZBHINPI-BXUZGUMPSA-N 2 0 234.343 1.809 20 0 BDADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC1CC[NH2+]CC1 ZINC000094460814 176322623 /nfs/dbraw/zinc/32/26/23/176322623.db2.gz YHTJBSHFGLLJNU-TZMCWYRMSA-N 2 0 237.391 1.155 20 0 BDADRP C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000304370211 176354007 /nfs/dbraw/zinc/35/40/07/176354007.db2.gz FVGHEBHJPFAQHY-NDBYEHHHSA-N 2 0 240.416 1.954 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc2c[nH]nc2c1 ZINC000334141053 176367689 /nfs/dbraw/zinc/36/76/89/176367689.db2.gz DOQIKTSGDHRSQX-PWSUYJOCSA-N 2 0 244.342 1.732 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOc1ccccc1 ZINC000042896798 176370542 /nfs/dbraw/zinc/37/05/42/176370542.db2.gz DQPXIWALSRBRSJ-OLZOCXBDSA-N 2 0 234.343 1.877 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)[C@@H]1C ZINC000309093027 176375707 /nfs/dbraw/zinc/37/57/07/176375707.db2.gz BWFGOBDUUKZOTJ-NQBHXWOUSA-N 2 0 208.349 1.882 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCc2cccnc2)CC[N@@H+]1C ZINC000130003483 176376547 /nfs/dbraw/zinc/37/65/47/176376547.db2.gz WYNUODVGAAGAPC-OCCSQVGLSA-N 2 0 233.359 1.696 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000339408182 176392310 /nfs/dbraw/zinc/39/23/10/176392310.db2.gz REAJDBFHIFVSJM-VXGBXAGGSA-N 2 0 226.364 1.472 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000309141588 176396445 /nfs/dbraw/zinc/39/64/45/176396445.db2.gz TYPJUCIIGDKYEH-GRYCIOLGSA-N 2 0 208.349 1.716 20 0 BDADRP C[C@H](C[NH2+][C@H](C)C1CCOCC1)C[NH+](C)C ZINC000336728393 176684666 /nfs/dbraw/zinc/68/46/66/176684666.db2.gz CMZRNBJJPMQRMH-VXGBXAGGSA-N 2 0 228.380 1.589 20 0 BDADRP C[C@H](c1ccccc1F)[N@H+](C)CCOCC[NH3+] ZINC000093232476 177041201 /nfs/dbraw/zinc/04/12/01/177041201.db2.gz MAGXZXFQBJYVEC-LLVKDONJSA-N 2 0 240.322 1.794 20 0 BDADRP C[C@H](CC[NH+](C)C)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000352902878 177242146 /nfs/dbraw/zinc/24/21/46/177242146.db2.gz SPFLNQHMZATZCE-SCRDCRAPSA-N 2 0 239.407 1.399 20 0 BDADRP C[C@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000051918903 177254380 /nfs/dbraw/zinc/25/43/80/177254380.db2.gz GWYJDDLMWLDDIN-RYUDHWBXSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@H]1C[N@H+](CCc2cccs2)CC[C@@H]1[NH3+] ZINC000049712288 177256665 /nfs/dbraw/zinc/25/66/65/177256665.db2.gz VPECSFKSULBOID-JQWIXIFHSA-N 2 0 224.373 1.960 20 0 BDADRP C[C@H](CC1CCOCC1)C[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000340670954 177257514 /nfs/dbraw/zinc/25/75/14/177257514.db2.gz HHHQQHYETUHBFH-MBNYWOFBSA-N 2 0 240.391 1.718 20 0 BDADRP C[C@H]1COCC[C@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000310065657 177296171 /nfs/dbraw/zinc/29/61/71/177296171.db2.gz PZUPDSJDVNWBGS-QWHCGFSZSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CC2(C)CCOCC2)CC[N@@H+]1C ZINC000222242813 177330381 /nfs/dbraw/zinc/33/03/81/177330381.db2.gz MBPKNPFCLNISKO-STQMWFEESA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)c2nccn21 ZINC000335953526 177330795 /nfs/dbraw/zinc/33/07/95/177330795.db2.gz BMIYTZQFCJAVIT-WCQYABFASA-N 2 0 248.374 1.820 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CC2(CCO)CCC2)CC[N@@H+]1C ZINC000358314111 177331074 /nfs/dbraw/zinc/33/10/74/177331074.db2.gz FAMIASFSXBLLBT-STQMWFEESA-N 2 0 240.391 1.611 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000352787222 177334240 /nfs/dbraw/zinc/33/42/40/177334240.db2.gz DINPHESBYMPJMM-FRRDWIJNSA-N 2 0 240.391 1.752 20 0 BDADRP C[C@H]1C[C@@H]1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000309816881 177345090 /nfs/dbraw/zinc/34/50/90/177345090.db2.gz VKSMGEJZEVZHOV-QWHCGFSZSA-N 2 0 226.364 1.344 20 0 BDADRP C[C@H]1C[C@H](C)C[NH+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000019516126 177358744 /nfs/dbraw/zinc/35/87/44/177358744.db2.gz BZNDIWKLEZLXFA-RWMBFGLXSA-N 2 0 210.365 1.964 20 0 BDADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccccc1F ZINC000122305670 177361993 /nfs/dbraw/zinc/36/19/93/177361993.db2.gz RTTHBULMCQWFEZ-WDEREUQCSA-N 2 0 222.307 1.995 20 0 BDADRP C[C@H]1C[C@H](N(C)Cc2cccn2C)CC[N@@H+]1C ZINC000093644982 177364921 /nfs/dbraw/zinc/36/49/21/177364921.db2.gz OXZREWARIPNRNU-QWHCGFSZSA-N 2 0 235.375 1.940 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCN2CC=CCC2)CN1C1CC1 ZINC000355536844 177369496 /nfs/dbraw/zinc/36/94/96/177369496.db2.gz VZAPFZSDZLYTPJ-KBPBESRZSA-N 2 0 249.402 1.463 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCC2CC[NH+](C)CC2)CCO1 ZINC000163690212 177369693 /nfs/dbraw/zinc/36/96/93/177369693.db2.gz SWBQYSQITGFGQY-GXTWGEPZSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCn1ccnc1 ZINC000041119540 177370437 /nfs/dbraw/zinc/37/04/37/177370437.db2.gz QNZZIYSCIVTMEZ-AGIUHOORSA-N 2 0 236.363 1.201 20 0 BDADRP C[C@H]1N(CC[C@H]2CCC[N@@H+]2C)CCOC1(C)C ZINC000336552014 177392808 /nfs/dbraw/zinc/39/28/08/177392808.db2.gz DHNUPDWSHSBJEI-CHWSQXEVSA-N 2 0 240.391 1.970 20 0 BDADRP C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc(C[NH3+])cc1 ZINC000193590516 177395880 /nfs/dbraw/zinc/39/58/80/177395880.db2.gz ROCKTUDGNJNOFU-ZWNOBZJWSA-N 2 0 247.342 1.016 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000328276575 487641793 /nfs/dbraw/zinc/64/17/93/487641793.db2.gz QWUHCPJUENBEAU-RDBSUJKOSA-N 2 0 239.407 1.543 20 0 BDADRP C[C@H]1C[C@H]1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000488333624 225376215 /nfs/dbraw/zinc/37/62/15/225376215.db2.gz OUBMOWAWBDDWAS-AAEUAGOBSA-N 2 0 210.365 1.916 20 0 BDADRP C[C@H]1C[C@@H]1C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000488426595 225395390 /nfs/dbraw/zinc/39/53/90/225395390.db2.gz WKEKIPQJCYZESO-QWHCGFSZSA-N 2 0 239.407 1.258 20 0 BDADRP COCC(C)(C)C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000494182370 226261894 /nfs/dbraw/zinc/26/18/94/226261894.db2.gz JOGCFKRCAYWCGC-UHFFFAOYSA-N 2 0 242.407 1.981 20 0 BDADRP C[C@H]([NH2+]CC1(C2CC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000400367200 226341885 /nfs/dbraw/zinc/34/18/85/226341885.db2.gz FQAOPQUISXPSBD-JQWIXIFHSA-N 2 0 208.349 1.907 20 0 BDADRP C[C@@H]([NH2+]CC(C)(C)CCCO)[C@H]1CCC[NH2+]1 ZINC000400464199 226343987 /nfs/dbraw/zinc/34/39/87/226343987.db2.gz SIKXITQALNNFRM-VXGBXAGGSA-N 2 0 228.380 1.515 20 0 BDADRP C[C@H](N[C@@H](C)[C@H]1CCC[NH2+]1)C(=O)NC(C)(C)C ZINC000400742008 226351208 /nfs/dbraw/zinc/35/12/08/226351208.db2.gz TUHHPGYBWBYXNM-GARJFASQSA-N 2 0 241.379 1.020 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H]1CCCO1 ZINC000400978677 226352447 /nfs/dbraw/zinc/35/24/47/226352447.db2.gz SVZWTRXKAFCHAI-RYMFRWLXSA-N 2 0 238.375 1.532 20 0 BDADRP CCCCOCC[N@@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000226032729 487654271 /nfs/dbraw/zinc/65/42/71/487654271.db2.gz UKGVPPQRLZFALZ-STQMWFEESA-N 2 0 228.380 1.862 20 0 BDADRP C[C@H](O)C[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000563013727 487666442 /nfs/dbraw/zinc/66/64/42/487666442.db2.gz LNUCIXZFWVRRHY-NSHDSACASA-N 2 0 214.353 1.079 20 0 BDADRP CC(C)[C@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000383730594 487669115 /nfs/dbraw/zinc/66/91/15/487669115.db2.gz GXJQXRSTCRLFRZ-ZIAGYGMSSA-N 2 0 242.407 1.808 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CCOC1)[C@H]1CCC[NH2+]1 ZINC000400535455 229239794 /nfs/dbraw/zinc/23/97/94/229239794.db2.gz TUDWYYXZFVCVKT-QJPTWQEYSA-N 2 0 212.337 1.143 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000383926244 487681985 /nfs/dbraw/zinc/68/19/85/487681985.db2.gz DSRQGENTWMCAQP-IHRRRGAJSA-N 2 0 242.407 1.950 20 0 BDADRP Cc1ccn2c(C[NH2+]CC[C@@H](C)[NH3+])cnc2c1 ZINC000414823466 487691840 /nfs/dbraw/zinc/69/18/40/487691840.db2.gz OTDOOCSDVUESOT-LLVKDONJSA-N 2 0 232.331 1.470 20 0 BDADRP Cc1cncc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000228620335 487693905 /nfs/dbraw/zinc/69/39/05/487693905.db2.gz AJRHQIUZUHXYNZ-CYBMUJFWSA-N 2 0 233.359 1.951 20 0 BDADRP CC[NH+](CC)CCNC(=O)[C@H](C(C)C)[C@H](C)[NH3+] ZINC000399466753 262784306 /nfs/dbraw/zinc/78/43/06/262784306.db2.gz UADMHQNWTMYIHJ-NWDGAFQWSA-N 2 0 243.395 1.064 20 0 BDADRP CC[NH+](CC)CCNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+] ZINC000399466758 262784315 /nfs/dbraw/zinc/78/43/15/262784315.db2.gz UADMHQNWTMYIHJ-VXGBXAGGSA-N 2 0 243.395 1.064 20 0 BDADRP Cc1occc1C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000397502649 262926160 /nfs/dbraw/zinc/92/61/60/262926160.db2.gz ALUOXAYNSFFPGB-UHFFFAOYSA-N 2 0 238.331 1.134 20 0 BDADRP C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000308900422 487723357 /nfs/dbraw/zinc/72/33/57/487723357.db2.gz DVSSEIQTJWBEFJ-BJDJZHNGSA-N 2 0 228.405 1.988 20 0 BDADRP N[C@@H](C[NH2+]CCCCCC[NH3+])CC(F)F ZINC000903932444 584824913 /nfs/dbraw/zinc/82/49/13/584824913.db2.gz RMAMLJNCXOEOCT-SECBINFHSA-N 2 0 223.311 1.078 20 0 BDADRP COCC[C@H](C)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000675499771 487742822 /nfs/dbraw/zinc/74/28/22/487742822.db2.gz JFXHAWYULOYCEG-ZDUSSCGKSA-N 2 0 249.358 1.629 20 0 BDADRP CC[C@@](C)(C[NH2+]CCC[NH+](C)C)OC ZINC000233958198 487754448 /nfs/dbraw/zinc/75/44/48/487754448.db2.gz IWIPQLFCDJPILH-NSHDSACASA-N 2 0 202.342 1.343 20 0 BDADRP CC[C@@H]1C[N@H+](CCOC(C)C)CC[C@H]1[NH3+] ZINC000251645159 487780924 /nfs/dbraw/zinc/78/09/24/487780924.db2.gz GEUNXQUJZSVHMC-VXGBXAGGSA-N 2 0 214.353 1.471 20 0 BDADRP C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000675901423 487785313 /nfs/dbraw/zinc/78/53/13/487785313.db2.gz GCYYUARVGOZCBH-YIYPIFLZSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CS[C@H](C)C1 ZINC000251695154 487790833 /nfs/dbraw/zinc/79/08/33/487790833.db2.gz AZKZZZHBBDEYNQ-MXWKQRLJSA-N 2 0 216.394 1.810 20 0 BDADRP C[NH+](C)CC1CC[NH+]([C@@H]2CCCOC2)CC1 ZINC000674300848 487795633 /nfs/dbraw/zinc/79/56/33/487795633.db2.gz HNMUWTDILSVTKW-CYBMUJFWSA-N 2 0 226.364 1.439 20 0 BDADRP C[N@H+](CCCC[NH2+]Cc1cn[nH]c1)C1CC1 ZINC000651600478 487797596 /nfs/dbraw/zinc/79/75/96/487797596.db2.gz FWMGTUGDEFLQKY-UHFFFAOYSA-N 2 0 222.336 1.374 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ncc[nH]1 ZINC000414189216 487797767 /nfs/dbraw/zinc/79/77/67/487797767.db2.gz QQNIGMCLKKBXQO-VXGBXAGGSA-N 2 0 236.363 1.792 20 0 BDADRP [NH3+]CCC[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000414735615 487820069 /nfs/dbraw/zinc/82/00/69/487820069.db2.gz FWHVYGMQDGDRSA-GFCCVEGCSA-N 2 0 212.337 1.226 20 0 BDADRP C[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1CCC[NH3+] ZINC000414757574 487821011 /nfs/dbraw/zinc/82/10/11/487821011.db2.gz LJELVOXNQUQKOQ-RKDXNWHRSA-N 2 0 224.270 1.998 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000224290820 487828652 /nfs/dbraw/zinc/82/86/52/487828652.db2.gz USLRSYUIMLQUQH-STQMWFEESA-N 2 0 226.364 1.616 20 0 BDADRP [NH3+]CCC[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000415059230 487834942 /nfs/dbraw/zinc/83/49/42/487834942.db2.gz UUXRGULQBHSRMC-CYBMUJFWSA-N 3 0 221.348 1.405 20 0 BDADRP CCc1nn(C)cc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000666787403 487859438 /nfs/dbraw/zinc/85/94/38/487859438.db2.gz FREYNZMWIOESAY-LLVKDONJSA-N 2 0 236.363 1.072 20 0 BDADRP CO[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000666699881 487863092 /nfs/dbraw/zinc/86/30/92/487863092.db2.gz BWEBPEGPQDSMNZ-MGPQQGTHSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@@H]([NH2+]Cc1cnc(N(C)C)n1C)C1CC1 ZINC000323715442 487871599 /nfs/dbraw/zinc/87/15/99/487871599.db2.gz LINKDUAXBGNCSR-GFCCVEGCSA-N 2 0 236.363 1.764 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+]C[C@H]2CCCCN2)CC[NH2+]1 ZINC000666770574 487876559 /nfs/dbraw/zinc/87/65/59/487876559.db2.gz KBLNUDZWHQTQFK-JHJVBQTASA-N 2 0 225.380 1.106 20 0 BDADRP C(NC1CC[NH+](CC2CC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000666783949 487880143 /nfs/dbraw/zinc/88/01/43/487880143.db2.gz VOLNZWWGIMXTLT-AWEZNQCLSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]Cc1ccc2cnccc2c1 ZINC000666826699 487887155 /nfs/dbraw/zinc/88/71/55/487887155.db2.gz RKDPAWFTJFGTEE-LLVKDONJSA-N 2 0 229.327 1.919 20 0 BDADRP c1nc2ccccn2c1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666855243 487890899 /nfs/dbraw/zinc/89/08/99/487890899.db2.gz GXXJZOSBYFADFI-LBPRGKRZSA-N 2 0 244.342 1.566 20 0 BDADRP C[C@H](CC1CCOCC1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666857663 487891555 /nfs/dbraw/zinc/89/15/55/487891555.db2.gz DIWULLMDQAJWAE-OCCSQVGLSA-N 2 0 240.391 1.923 20 0 BDADRP CC[N@@H+]1CC[C@H](N[C@@H]2CCC[NH2+]CC2)[C@@H](C)C1 ZINC000666857764 487892195 /nfs/dbraw/zinc/89/21/95/487892195.db2.gz IIJDIUJFZPQFGC-MJBXVCDLSA-N 2 0 239.407 1.448 20 0 BDADRP OC[C@H]1CCCCC[N@@H+]1CCCn1ccnc1 ZINC000157124547 487906249 /nfs/dbraw/zinc/90/62/49/487906249.db2.gz ZTWLFOKMHGGLEE-CYBMUJFWSA-N 2 0 237.347 1.510 20 0 BDADRP c1cc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cs1 ZINC000666950754 487913132 /nfs/dbraw/zinc/91/31/32/487913132.db2.gz DPTOXEOIMNNALB-NSHDSACASA-N 2 0 222.357 1.980 20 0 BDADRP c1csc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c1 ZINC000666950845 487913050 /nfs/dbraw/zinc/91/30/50/487913050.db2.gz LXCJQDJUKAFHRU-LLVKDONJSA-N 2 0 222.357 1.980 20 0 BDADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cnc3ccccn23)C1 ZINC000666962180 487919590 /nfs/dbraw/zinc/91/95/90/487919590.db2.gz HCGBLOIAJRFCAG-NWDGAFQWSA-N 2 0 244.342 1.551 20 0 BDADRP COC[C@H](C)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000666968925 487921299 /nfs/dbraw/zinc/92/12/99/487921299.db2.gz IUKNPEGKHGIPIR-RDBSUJKOSA-N 2 0 240.391 1.733 20 0 BDADRP C[N@@H+](Cc1ccccc1C1CC1)C[C@H](O)C[NH3+] ZINC000666988628 487922237 /nfs/dbraw/zinc/92/22/37/487922237.db2.gz BLHPPZRMELTXPV-CYBMUJFWSA-N 2 0 234.343 1.315 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@H](C)C[C@@H]1C ZINC000381101000 487930890 /nfs/dbraw/zinc/93/08/90/487930890.db2.gz XVRYJCMNNHOKJT-FRRDWIJNSA-N 2 0 228.380 1.418 20 0 BDADRP CC(C)O[C@@H]1CCCN(CC(C)(C)[NH3+])C1 ZINC000404774293 487933000 /nfs/dbraw/zinc/93/30/00/487933000.db2.gz NUXZXEXLFMNZQF-LLVKDONJSA-N 2 0 214.353 1.613 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)C1CC[NH+](C)CC1 ZINC000396445046 487933656 /nfs/dbraw/zinc/93/36/56/487933656.db2.gz OKHZKTFMIOCWPV-DYEKYZERSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CC1CC[NH2+]CC1 ZINC000564969990 322983922 /nfs/dbraw/zinc/98/39/22/322983922.db2.gz HDUODAAIPPJDLF-LLVKDONJSA-N 3 0 213.369 1.093 20 0 BDADRP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000449670777 323004757 /nfs/dbraw/zinc/00/47/57/323004757.db2.gz YKMONVYZLTWHEP-RNCFNFMXSA-N 2 0 247.342 1.602 20 0 BDADRP CC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@@H]1C[C@H]1C ZINC000397506393 323029904 /nfs/dbraw/zinc/02/99/04/323029904.db2.gz DKAAGVJLFPZILW-UPJWGTAASA-N 2 0 240.391 1.467 20 0 BDADRP C[C@H](O)C[NH2+]CCN(C)Cc1ccccc1 ZINC000306887167 323032657 /nfs/dbraw/zinc/03/26/57/323032657.db2.gz UCQHRADCKSCWDD-LBPRGKRZSA-N 2 0 222.332 1.089 20 0 BDADRP CC[NH2+]CCCN[C@@H](C)c1c[nH+]ccc1N ZINC000567639055 323034300 /nfs/dbraw/zinc/03/43/00/323034300.db2.gz OXRVIWZSHVNECD-JTQLQIEISA-N 2 0 222.336 1.144 20 0 BDADRP CCC(O)(CC)CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000565224934 323034419 /nfs/dbraw/zinc/03/44/19/323034419.db2.gz ATVVGTFGULODFO-NEPJUHHUSA-N 2 0 228.380 1.787 20 0 BDADRP CCC(O)(CC)CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000565224945 323034426 /nfs/dbraw/zinc/03/44/26/323034426.db2.gz ATVVGTFGULODFO-VXGBXAGGSA-N 2 0 228.380 1.787 20 0 BDADRP CC(C)[NH2+]CCCN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000562956371 323034854 /nfs/dbraw/zinc/03/48/54/323034854.db2.gz QJUGGMPTYPMHAM-OLZOCXBDSA-N 2 0 227.396 1.482 20 0 BDADRP Cc1ccc(CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)o1 ZINC000572986030 323039995 /nfs/dbraw/zinc/03/99/95/323039995.db2.gz ZEEXCXJFRVHSSL-VXGBXAGGSA-N 2 0 222.332 1.990 20 0 BDADRP CC(C)[NH2+]CCC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000569912114 323044442 /nfs/dbraw/zinc/04/44/42/323044442.db2.gz ROHCKMTUXFFBCC-UHFFFAOYSA-N 2 0 247.342 1.616 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC1(O)Cc2ccccc2C1 ZINC000569957564 323045734 /nfs/dbraw/zinc/04/57/34/323045734.db2.gz KENNNDYZXWUTMO-NWDGAFQWSA-N 2 0 248.370 1.232 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2CCO)C1 ZINC000570105973 323050102 /nfs/dbraw/zinc/05/01/02/323050102.db2.gz GKDTXFCETYNNIO-FVCCEPFGSA-N 2 0 226.364 1.397 20 0 BDADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccoc1 ZINC000570153689 323051059 /nfs/dbraw/zinc/05/10/59/323051059.db2.gz YCRPOLCYFFUPCA-LBPRGKRZSA-N 2 0 237.347 1.226 20 0 BDADRP c1[nH]nc2cc(C[NH2+]C[C@H]3CCC[NH2+]C3)ccc12 ZINC000570380617 323057851 /nfs/dbraw/zinc/05/78/51/323057851.db2.gz QIZRDTOLCDPVMY-LBPRGKRZSA-N 2 0 244.342 1.652 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+]CC2CC[NH2+]CC2)CCO1 ZINC000570388891 323058028 /nfs/dbraw/zinc/05/80/28/323058028.db2.gz MMYQBJMORFNVPW-KGLIPLIRSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H](CCCC[NH3+])NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000563116623 323093308 /nfs/dbraw/zinc/09/33/08/323093308.db2.gz LHSRLNFBRIVGPZ-RYUDHWBXSA-N 2 0 241.379 1.010 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1c1nc(C2([NH3+])CCCC2)no1 ZINC000563120910 323093385 /nfs/dbraw/zinc/09/33/85/323093385.db2.gz MWTHTTTURCJXFO-DTWKUNHWSA-N 2 0 236.319 1.263 20 0 BDADRP C[C@@H]([NH3+])CCc1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000563118303 323093776 /nfs/dbraw/zinc/09/37/76/323093776.db2.gz UCMNLOJKYRRAEP-SECBINFHSA-N 2 0 246.314 1.475 20 0 BDADRP C[NH2+]C1CCN(CC[NH2+]C(C)(C)C)CC1 ZINC000563130696 323094473 /nfs/dbraw/zinc/09/44/73/323094473.db2.gz SISGJMOROOGVMR-UHFFFAOYSA-N 2 0 213.369 1.058 20 0 BDADRP [NH3+]CCC[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000563135460 323094576 /nfs/dbraw/zinc/09/45/76/323094576.db2.gz MNZCUBZRXPUVHC-LBPRGKRZSA-N 2 0 205.305 1.220 20 0 BDADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)CC[N@@H+]1C ZINC000563154162 323095752 /nfs/dbraw/zinc/09/57/52/323095752.db2.gz PVMGZFORPFZWFD-SWLSCSKDSA-N 3 0 247.386 1.718 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)CC[N@@H+]1C ZINC000563154161 323095766 /nfs/dbraw/zinc/09/57/66/323095766.db2.gz PVMGZFORPFZWFD-IUODEOHRSA-N 3 0 247.386 1.718 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC2(CCO)CCC2)C1 ZINC000563426663 323126221 /nfs/dbraw/zinc/12/62/21/323126221.db2.gz VRQRYWHAROZKAJ-NEPJUHHUSA-N 2 0 226.364 1.399 20 0 BDADRP CC[C@@H]([NH2+]CCc1cncn1C)[C@@H]1CCOC1 ZINC000401833899 323127832 /nfs/dbraw/zinc/12/78/32/323127832.db2.gz HGSSUDWLJKXRTK-DGCLKSJQSA-N 2 0 237.347 1.367 20 0 BDADRP CC(C)[NH2+]CC(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000571107236 323135761 /nfs/dbraw/zinc/13/57/61/323135761.db2.gz ZNPPIJSMZCGXFA-SNVBAGLBSA-N 2 0 235.331 1.643 20 0 BDADRP COC[C@H](C)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000163554405 323145107 /nfs/dbraw/zinc/14/51/07/323145107.db2.gz LCXXFTUKXPZAJV-XQHKEYJVSA-N 2 0 226.364 1.328 20 0 BDADRP Cc1nccn1CC[N@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000535034730 323164195 /nfs/dbraw/zinc/16/41/95/323164195.db2.gz IYMILHFVEQFJQK-YPMHNXCESA-N 2 0 237.347 1.284 20 0 BDADRP C[C@H]1CC2(C[N@@H+]1Cc1ccn(C)n1)CC[NH2+]CC2 ZINC000563803757 323178368 /nfs/dbraw/zinc/17/83/68/323178368.db2.gz ALYHEFRUOBGLIF-LBPRGKRZSA-N 2 0 248.374 1.384 20 0 BDADRP C[C@@H]([NH2+]CCCCF)[C@@H]1CCCC[NH2+]1 ZINC000395106698 323187074 /nfs/dbraw/zinc/18/70/74/323187074.db2.gz XHSMTFZYRNEKGG-MNOVXSKESA-N 2 0 202.317 1.856 20 0 BDADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCCC2)cc1 ZINC000041264260 323205739 /nfs/dbraw/zinc/20/57/39/323205739.db2.gz UMDWUGQRLKNQAC-CYBMUJFWSA-N 2 0 234.343 1.833 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CC12CC(C1)CO2 ZINC000530220315 323218084 /nfs/dbraw/zinc/21/80/84/323218084.db2.gz MUUGOQUBTGYSDG-ZFQMDJOTSA-N 2 0 224.348 1.415 20 0 BDADRP C[C@@H]([NH2+]CC1(C)COC1)[C@@H]1CCCC[NH2+]1 ZINC000395239140 323222778 /nfs/dbraw/zinc/22/27/78/323222778.db2.gz QCJCGVABAUUNQB-MNOVXSKESA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N[C@H]1CCC[NH2+][C@@H]1C ZINC000396623820 323393983 /nfs/dbraw/zinc/39/39/83/323393983.db2.gz VTPQKXJLKTUOBF-NDBYEHHHSA-N 2 0 225.380 1.057 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C(C2CC2)C2CC2)CC[NH2+]1 ZINC000572112104 323540054 /nfs/dbraw/zinc/54/00/54/323540054.db2.gz DWMWQSQQXSXVOD-JOYOIKCWSA-N 2 0 208.349 1.905 20 0 BDADRP CC(C)C[C@H]([NH3+])c1noc([C@H](C)C[NH3+])n1 ZINC000572284870 323587462 /nfs/dbraw/zinc/58/74/62/323587462.db2.gz IJIZOBGYVNMZGU-SFYZADRCSA-N 2 0 212.297 1.178 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCCC[C@@H]2O)C1 ZINC000572303597 323591391 /nfs/dbraw/zinc/59/13/91/323591391.db2.gz PCVWNKIKOQTXKV-WYUUTHIRSA-N 2 0 212.337 1.149 20 0 BDADRP Cc1ccc(CN(C)[C@H](C[NH3+])C2CC2)nc1 ZINC000126559147 487961174 /nfs/dbraw/zinc/96/11/74/487961174.db2.gz UGIHPMREYRUYOY-CYBMUJFWSA-N 2 0 219.332 1.559 20 0 BDADRP COCC[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000122599924 324050595 /nfs/dbraw/zinc/05/05/95/324050595.db2.gz JHYCFXPLYKIYBW-XQQFMLRXSA-N 2 0 228.380 1.874 20 0 BDADRP CO[C@H]1C[N@H+](CCCn2ccnc2)CC[C@H]1C ZINC000189274705 324193934 /nfs/dbraw/zinc/19/39/34/324193934.db2.gz WKVXCOVZAVHAGH-OLZOCXBDSA-N 2 0 237.347 1.630 20 0 BDADRP CC[C@H](O)CC[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000123394894 324362900 /nfs/dbraw/zinc/36/29/00/324362900.db2.gz FODIPNPJHKUMQB-AVGNSLFASA-N 2 0 228.380 1.467 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CCCOC2)C1 ZINC000530210282 324527022 /nfs/dbraw/zinc/52/70/22/324527022.db2.gz JADDFWCNVDASLC-XQQFMLRXSA-N 2 0 226.364 1.663 20 0 BDADRP Cc1ncccc1C[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000530243942 324555065 /nfs/dbraw/zinc/55/50/65/324555065.db2.gz IXKDDERJZFHGOT-AAEUAGOBSA-N 2 0 233.359 1.868 20 0 BDADRP COC[C@@H](C)C[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000131886955 325189714 /nfs/dbraw/zinc/18/97/14/325189714.db2.gz LUWNSGKCRMTOQI-KGLIPLIRSA-N 2 0 242.407 1.981 20 0 BDADRP COC[C@H](C)C[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000131886273 325189956 /nfs/dbraw/zinc/18/99/56/325189956.db2.gz LUWNSGKCRMTOQI-UONOGXRCSA-N 2 0 242.407 1.981 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H](C)[C@H](C)OC)CC1 ZINC000133288738 325282413 /nfs/dbraw/zinc/28/24/13/325282413.db2.gz SEDXGEMVGNZCGI-NEPJUHHUSA-N 2 0 228.380 1.731 20 0 BDADRP COC[C@H](C)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000564316743 325340571 /nfs/dbraw/zinc/34/05/71/325340571.db2.gz WSXVDIKTBQKAON-HABKJSAYSA-N 2 0 240.391 1.826 20 0 BDADRP C[C@H]([NH2+]CC1([NH3+])CCCC1)[C@H]1CCOC1 ZINC000158625303 487969222 /nfs/dbraw/zinc/96/92/22/487969222.db2.gz PZPGLRAVRJWYJV-QWRGUYRKSA-N 2 0 212.337 1.273 20 0 BDADRP C[C@@H](O)[C@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000564859571 325815109 /nfs/dbraw/zinc/81/51/09/325815109.db2.gz GUGBHICKTNINNW-WDEREUQCSA-N 2 0 226.364 1.362 20 0 BDADRP [NH3+]Cc1ccc(OCCC2CC[NH2+]CC2)cc1 ZINC000564841103 325815249 /nfs/dbraw/zinc/81/52/49/325815249.db2.gz NNIRGIURTKEANZ-UHFFFAOYSA-N 2 0 234.343 1.914 20 0 BDADRP C[NH2+]C[C@](C)(O)C[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000565092819 325856632 /nfs/dbraw/zinc/85/66/32/325856632.db2.gz HGEIMXFDMCBNDA-IHRRRGAJSA-N 2 0 242.407 1.761 20 0 BDADRP C[NH2+]CCCNC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000566202637 326011705 /nfs/dbraw/zinc/01/17/05/326011705.db2.gz XXAVZCYQFDQWKH-JTQLQIEISA-N 2 0 235.331 1.046 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)CCC1CC[NH2+]CC1 ZINC000566256599 326025105 /nfs/dbraw/zinc/02/51/05/326025105.db2.gz FNVMYCFDZVVYKW-MNOVXSKESA-N 2 0 241.379 1.008 20 0 BDADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@@H](C(C)C)CC1 ZINC000566352133 326036193 /nfs/dbraw/zinc/03/61/93/326036193.db2.gz XGEMUSPXBHNWGT-ZIAGYGMSSA-N 2 0 242.407 1.715 20 0 BDADRP CC(C)[N@@H+](C)C[C@H](C)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000566480976 326055873 /nfs/dbraw/zinc/05/58/73/326055873.db2.gz CXZWEHAVMWVGAI-RWMBFGLXSA-N 2 0 227.396 1.575 20 0 BDADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1cccc(O)c1 ZINC000567456511 326195785 /nfs/dbraw/zinc/19/57/85/326195785.db2.gz SOMGXFXOIKLUJB-LBPRGKRZSA-N 2 0 234.343 1.824 20 0 BDADRP C[C@H]1C[C@@H](c2nc(C3([NH3+])CCC3)no2)CC[NH2+]1 ZINC000567501478 326205275 /nfs/dbraw/zinc/20/52/75/326205275.db2.gz WJSSEFKAXDBQBS-IUCAKERBSA-N 2 0 236.319 1.263 20 0 BDADRP CC(C)C[C@H](C[NH3+])N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000567521197 326207861 /nfs/dbraw/zinc/20/78/61/326207861.db2.gz UBENKYKCAFXSHO-QJPTWQEYSA-N 2 0 213.369 1.219 20 0 BDADRP C[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000567646067 326237839 /nfs/dbraw/zinc/23/78/39/326237839.db2.gz SAYXFQZCFAKYDU-HNCHTBHHSA-N 2 0 226.364 1.673 20 0 BDADRP C[N@H+](CCCC[NH2+]CC1(O)CCC1)C1CC1 ZINC000567697136 326247342 /nfs/dbraw/zinc/24/73/42/326247342.db2.gz PRWFONHBOJXLKE-UHFFFAOYSA-N 2 0 226.364 1.365 20 0 BDADRP CCc1cnc(CN2C[C@@H](C[NH3+])C[C@@H]2C)o1 ZINC000567739566 326253671 /nfs/dbraw/zinc/25/36/71/326253671.db2.gz VLVOUMGZPUJLNS-VHSXEESVSA-N 2 0 223.320 1.406 20 0 BDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH3+] ZINC000567837948 326266997 /nfs/dbraw/zinc/26/69/97/326266997.db2.gz DOSGOMTYFMKLFW-NWDGAFQWSA-N 2 0 241.379 1.103 20 0 BDADRP Cc1ccc(O)c(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])n1 ZINC000567870754 326273666 /nfs/dbraw/zinc/27/36/66/326273666.db2.gz LNKPPAXDRJRWRM-SCZZXKLOSA-N 2 0 223.320 1.311 20 0 BDADRP C[N@@H+](CCc1cnccn1)CCC1CC[NH2+]CC1 ZINC000567899513 326279903 /nfs/dbraw/zinc/27/99/03/326279903.db2.gz ASUSSFXLFTWVQV-UHFFFAOYSA-N 2 0 248.374 1.341 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCCNc2ccccn2)C1 ZINC000568247693 326333841 /nfs/dbraw/zinc/33/38/41/326333841.db2.gz UHUVTAWXTFFFBD-QWHCGFSZSA-N 2 0 248.374 1.743 20 0 BDADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCCC12CC2 ZINC000568276839 326339975 /nfs/dbraw/zinc/33/99/75/326339975.db2.gz QBZDSECELLZZBD-GFCCVEGCSA-N 2 0 226.364 1.487 20 0 BDADRP CN1CCN(C)[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000302701628 487977648 /nfs/dbraw/zinc/97/76/48/487977648.db2.gz VWBWNUZFTIANHD-YIYPIFLZSA-N 2 0 237.391 1.010 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C)C[C@H]1C ZINC000310410422 487981329 /nfs/dbraw/zinc/98/13/29/487981329.db2.gz OUFSUKIBVJBFSL-MGPQQGTHSA-N 2 0 242.407 1.808 20 0 BDADRP CC(C)(O)CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401060944 488025496 /nfs/dbraw/zinc/02/54/96/488025496.db2.gz JKSONVGBCJSMJM-SDDRHHMPSA-N 2 0 226.364 1.125 20 0 BDADRP CC(C)(C)OCCCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000682755517 488029511 /nfs/dbraw/zinc/02/95/11/488029511.db2.gz RVYIZYAWTASHEF-BETUJISGSA-N 2 0 240.391 1.733 20 0 BDADRP [NH3+]CCC[NH2+]CCc1ccccc1Cl ZINC000159447559 488031267 /nfs/dbraw/zinc/03/12/67/488031267.db2.gz NDVLUDSXMGDHCS-UHFFFAOYSA-N 2 0 212.724 1.821 20 0 BDADRP C[C@H](O)CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000682761926 488033000 /nfs/dbraw/zinc/03/30/00/488033000.db2.gz VHYAJQPYDMDPAE-ZDUSSCGKSA-N 2 0 249.358 1.365 20 0 BDADRP C[C@@H]1CCCC[C@@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663497479 488046472 /nfs/dbraw/zinc/04/64/72/488046472.db2.gz GBVZVIVQBNZPEL-IGJPJIBNSA-N 2 0 208.349 1.907 20 0 BDADRP C[C@H]1CCCC[C@@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663497481 488046601 /nfs/dbraw/zinc/04/66/01/488046601.db2.gz GBVZVIVQBNZPEL-QCXCNERSSA-N 2 0 208.349 1.907 20 0 BDADRP CC(C)CC[N@H+](C[C@@H]1CNCCO1)C1CC1 ZINC000109588384 488058586 /nfs/dbraw/zinc/05/85/86/488058586.db2.gz UAKKOHIMFVJMIR-ZDUSSCGKSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@]1(CN2CCO[C@@](C)(C(F)F)C2)CC[NH2+]C1 ZINC000663515095 488058711 /nfs/dbraw/zinc/05/87/11/488058711.db2.gz ZYKYELNTCTVXMR-VXGBXAGGSA-N 2 0 248.317 1.342 20 0 BDADRP CC(C)OC(=O)CC[C@@H](C)[NH2+]C[C@@H](C)C[NH3+] ZINC001172746649 974922570 /nfs/dbraw/zinc/92/25/70/974922570.db2.gz RBIQEBZNDLZHRI-WDEREUQCSA-N 2 0 230.352 1.291 20 0 BDADRP CCCN1CC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000389114251 488077457 /nfs/dbraw/zinc/07/74/57/488077457.db2.gz AYZULXPYBUMLNS-QWHCGFSZSA-N 2 0 227.396 1.578 20 0 BDADRP CCC1(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)COC1 ZINC000393977125 488094306 /nfs/dbraw/zinc/09/43/06/488094306.db2.gz KLFKHZLZHCJAKM-WDEREUQCSA-N 2 0 212.337 1.273 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)Nc1cccc(C[NH3+])c1 ZINC000669508338 488109011 /nfs/dbraw/zinc/10/90/11/488109011.db2.gz MPDQXBFOBORWAZ-SNVBAGLBSA-N 2 0 235.331 1.472 20 0 BDADRP [NH3+]Cc1cccc(NC(=O)C[C@H]2CCC[NH2+]2)c1 ZINC000669508325 488109075 /nfs/dbraw/zinc/10/90/75/488109075.db2.gz HEFJUKDMWZEJPV-LLVKDONJSA-N 2 0 233.315 1.226 20 0 BDADRP CC[C@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)CO1 ZINC000657348771 488115958 /nfs/dbraw/zinc/11/59/58/488115958.db2.gz HNFIWXIGJBANOD-STQMWFEESA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H](C(=O)N(C)CCC[NH3+])[C@H]([NH3+])c1ccccc1 ZINC000669511869 488117022 /nfs/dbraw/zinc/11/70/22/488117022.db2.gz KRGKEFADZWLLGU-AAEUAGOBSA-N 2 0 249.358 1.130 20 0 BDADRP CC[NH+](CC)CCCN(C)C1(COC)CC1 ZINC000683141937 488118462 /nfs/dbraw/zinc/11/84/62/488118462.db2.gz RVVWGFUPJQERFB-UHFFFAOYSA-N 2 0 228.380 1.829 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000403240766 488119061 /nfs/dbraw/zinc/11/90/61/488119061.db2.gz RALRTLSGMTUDLK-XQHKEYJVSA-N 2 0 208.349 1.703 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000667783729 488119930 /nfs/dbraw/zinc/11/99/30/488119930.db2.gz YFSNOUJMZSWSOG-RDBSUJKOSA-N 2 0 240.391 1.733 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CO[C@@H](C3CC3)C2)C1 ZINC000667792814 488122008 /nfs/dbraw/zinc/12/20/08/488122008.db2.gz JYHIIETUSBQHAU-MRVWCRGKSA-N 2 0 238.375 1.485 20 0 BDADRP [NH3+]C1CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000403457663 488124220 /nfs/dbraw/zinc/12/42/20/488124220.db2.gz ZMNYFHPFCFMXIS-UTUOFQBUSA-N 2 0 208.349 1.846 20 0 BDADRP C([C@H]1CC[C@@H]2C[C@@H]2C1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000403612011 488129613 /nfs/dbraw/zinc/12/96/13/488129613.db2.gz IZHZVKGDEOHWLQ-ZUWCUPBKSA-N 2 0 220.360 1.574 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@H](C)C1 ZINC000310543759 488130624 /nfs/dbraw/zinc/13/06/24/488130624.db2.gz RTEHVZZWIHTIRL-MCIONIFRSA-N 2 0 242.407 1.665 20 0 BDADRP CC(C)([NH3+])CCC(=O)NCC[NH+]1CCCCC1 ZINC000070088262 487548251 /nfs/dbraw/zinc/54/82/51/487548251.db2.gz XRDLQXPALYOAGF-UHFFFAOYSA-N 2 0 241.379 1.106 20 0 BDADRP C[N@H+](CC[C@H]1CCCC[NH+]1C)[C@@H]1CCCOC1 ZINC000674301353 487552783 /nfs/dbraw/zinc/55/27/83/487552783.db2.gz ATRFVRKKGGZQGT-ZIAGYGMSSA-N 2 0 240.391 1.972 20 0 BDADRP C[NH+](C)CCC1CC[NH+]([C@H]2CCCOC2)CC1 ZINC000674301766 487554809 /nfs/dbraw/zinc/55/48/09/487554809.db2.gz GDHNHWOGMRDFDS-AWEZNQCLSA-N 2 0 240.391 1.829 20 0 BDADRP [NH3+]Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000295017699 487478565 /nfs/dbraw/zinc/47/85/65/487478565.db2.gz MUTNQJBMZUXYCS-CHWSQXEVSA-N 2 0 247.342 1.145 20 0 BDADRP CC[C@@H](C)[N@H+](CC)C[C@@H](O)C[NH+](C)C(C)C ZINC000380976007 487492282 /nfs/dbraw/zinc/49/22/82/487492282.db2.gz BLDUSYGWDFCFBR-OLZOCXBDSA-N 2 0 230.396 1.808 20 0 BDADRP CCO[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000300146544 487502760 /nfs/dbraw/zinc/50/27/60/487502760.db2.gz XSQFNTZVWFAPIN-HZSPNIEDSA-N 2 0 240.391 1.875 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C2CCC(CO)CC2)C1 ZINC000304569957 487511512 /nfs/dbraw/zinc/51/15/12/487511512.db2.gz HUNOTZJMADKSIZ-PYNQCMFNSA-N 2 0 226.364 1.397 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2CCC(CO)CC2)C1 ZINC000304569956 487511882 /nfs/dbraw/zinc/51/18/82/487511882.db2.gz HUNOTZJMADKSIZ-POOIEITISA-N 2 0 226.364 1.397 20 0 BDADRP COC[C@H](C)[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000086500523 487514675 /nfs/dbraw/zinc/51/46/75/487514675.db2.gz HHTNNGLKCPWQDP-AVGNSLFASA-N 2 0 228.380 1.922 20 0 BDADRP CO[C@@H](CN(C)[C@@H](C[NH3+])C1CC1)C1CCCC1 ZINC000662274605 487522760 /nfs/dbraw/zinc/52/27/60/487522760.db2.gz XULCCBXOFJYBSI-KBPBESRZSA-N 2 0 240.391 1.861 20 0 BDADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCO[C@@H]1CC1(F)F ZINC000662274658 487523823 /nfs/dbraw/zinc/52/38/23/487523823.db2.gz ZGCYBKBQOMCOSJ-WDEREUQCSA-N 2 0 248.317 1.614 20 0 BDADRP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1cccc(C[NH3+])c1 ZINC000169816506 490043567 /nfs/dbraw/zinc/04/35/67/490043567.db2.gz HFWKPPAYGRCSPU-SKDRFNHKSA-N 2 0 235.331 1.457 20 0 BDADRP CC[C@@H]1C[C@@H](C)C[N@@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000310489542 488032944 /nfs/dbraw/zinc/03/29/44/488032944.db2.gz FPGXFQRPQBHHPO-MCIONIFRSA-N 2 0 242.407 1.808 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1C ZINC000379894196 488154353 /nfs/dbraw/zinc/15/43/53/488154353.db2.gz BLHCZAIPLLPPFD-VXGBXAGGSA-N 2 0 214.353 1.172 20 0 BDADRP C[C@](O)(C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000379889264 488154417 /nfs/dbraw/zinc/15/44/17/488154417.db2.gz ZLULSNZUMSMFJK-UTUOFQBUSA-N 2 0 212.337 1.007 20 0 BDADRP C[C@@H]1C[C@@H](C)C[NH+](CCN2CC[NH+](C)CC2)C1 ZINC000677951164 488163200 /nfs/dbraw/zinc/16/32/00/488163200.db2.gz HBRUIRHJPMIXKH-ZIAGYGMSSA-N 2 0 239.407 1.212 20 0 BDADRP CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1CCCC1 ZINC000380108157 488173157 /nfs/dbraw/zinc/17/31/57/488173157.db2.gz YYJZNHYFYXOFGC-CQSZACIVSA-N 2 0 242.407 1.952 20 0 BDADRP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](C)CO)CC1 ZINC000678045529 488175000 /nfs/dbraw/zinc/17/50/00/488175000.db2.gz MXJYAOXXYZIQBO-ZDUSSCGKSA-N 2 0 242.407 1.667 20 0 BDADRP C[C@@H](CCCCO)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000398567918 488220175 /nfs/dbraw/zinc/22/01/75/488220175.db2.gz FFZADZIUADLCCN-STQMWFEESA-N 2 0 242.407 1.857 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2cn[nH]c2)C[C@@H]1n1ccnc1 ZINC000678336761 488242208 /nfs/dbraw/zinc/24/22/08/488242208.db2.gz LKYTVCXUMXSIII-YPMHNXCESA-N 2 0 245.330 1.689 20 0 BDADRP c1cc2cccc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)c2[nH]1 ZINC000678342923 488243494 /nfs/dbraw/zinc/24/34/94/488243494.db2.gz HQCHLYCVBBIYAQ-OKILXGFUSA-N 2 0 241.338 1.819 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000049553832 488303918 /nfs/dbraw/zinc/30/39/18/488303918.db2.gz BRXAUJAPKFRAQY-QWHCGFSZSA-N 3 0 241.423 1.647 20 0 BDADRP C[C@@H](CCCCO)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000679332367 488340702 /nfs/dbraw/zinc/34/07/02/488340702.db2.gz VDOLWHZWOYQZRR-STQMWFEESA-N 2 0 240.391 1.611 20 0 BDADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CCCCO)C1 ZINC000679340017 488341746 /nfs/dbraw/zinc/34/17/46/488341746.db2.gz MYYYOBLAOVTHAT-KBPBESRZSA-N 2 0 242.407 1.859 20 0 BDADRP C[C@H](CCn1cccn1)[NH2+][C@H]1CCCN(C)C1 ZINC000679384823 488348908 /nfs/dbraw/zinc/34/89/08/488348908.db2.gz ANFWBEKMVUHLHT-OLZOCXBDSA-N 2 0 236.363 1.346 20 0 BDADRP CO[C@H](C)C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000679851535 488368994 /nfs/dbraw/zinc/36/89/94/488368994.db2.gz SBDMNYUAYUJXQE-VXGBXAGGSA-N 2 0 223.320 1.555 20 0 BDADRP CC(C)[NH2+]C1CC[NH+](C[C@H](C)CO)CC1 ZINC000121378019 490084150 /nfs/dbraw/zinc/08/41/50/490084150.db2.gz PSMCSHWEGDUZGL-NSHDSACASA-N 2 0 214.353 1.077 20 0 BDADRP COC[C@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000238383342 490227043 /nfs/dbraw/zinc/22/70/43/490227043.db2.gz VPYBCACWFKIVHG-GFCCVEGCSA-N 2 0 212.337 1.097 20 0 BDADRP CC(C)[C@H](CCO)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000123755371 490259137 /nfs/dbraw/zinc/25/91/37/490259137.db2.gz MNWNHVGTKYSMCY-OCCSQVGLSA-N 2 0 242.407 1.713 20 0 BDADRP Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000400944633 491069141 /nfs/dbraw/zinc/06/91/41/491069141.db2.gz AHYLEDSVWYMEHC-SOUVJXGZSA-N 2 0 245.370 1.868 20 0 BDADRP Cc1ccc(O)c(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)n1 ZINC000414852568 491111175 /nfs/dbraw/zinc/11/11/75/491111175.db2.gz KBPTWTWKIAMYON-NWDGAFQWSA-N 2 0 249.358 1.573 20 0 BDADRP [NH3+]C[C@H]1CCCN1C[C@@H]1CCC2(CCCC2)O1 ZINC000229332092 491119417 /nfs/dbraw/zinc/11/94/17/491119417.db2.gz XKPFXWRWEXMJQE-OLZOCXBDSA-N 2 0 238.375 1.901 20 0 BDADRP COCC[N@H+](C)CCC[NH2+]CC1(C)CCC1 ZINC000309900837 491157926 /nfs/dbraw/zinc/15/79/26/491157926.db2.gz HNUQXXQPGZNDJE-UHFFFAOYSA-N 2 0 228.380 1.735 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H](C)[C@H](C)CO)CC1 ZINC000134124378 491162115 /nfs/dbraw/zinc/16/21/15/491162115.db2.gz REPZFRKHRZCECR-NEPJUHHUSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H]1CCC[NH2+]1 ZINC000400423717 533815078 /nfs/dbraw/zinc/81/50/78/533815078.db2.gz XVIDECCDWRZQPC-APYLGABCSA-N 2 0 237.391 1.342 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2C[NH3+])CS1 ZINC000306767017 533961634 /nfs/dbraw/zinc/96/16/34/533961634.db2.gz CBAOOTYRTNSYNR-CHWFTXMASA-N 2 0 214.378 1.597 20 0 BDADRP CC[C@@H](COC)[NH2+]CC1CC[NH+](C)CC1 ZINC000070624295 535761148 /nfs/dbraw/zinc/76/11/48/535761148.db2.gz JBPDHGZBILACBC-LBPRGKRZSA-N 2 0 214.353 1.343 20 0 BDADRP CC[C@@H](NC[C@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423210612 517773572 /nfs/dbraw/zinc/77/35/72/517773572.db2.gz KCLUNTNIRVAAFW-XQQFMLRXSA-N 2 0 225.380 1.106 20 0 BDADRP C[C@H](CNC(=[NH2+])N1CCCCC1)C[NH+](C)C ZINC000849030708 582833070 /nfs/dbraw/zinc/83/30/70/582833070.db2.gz SXYDAATZOWRLGB-LLVKDONJSA-N 2 0 226.368 1.194 20 0 BDADRP C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)[C@H]1CCOC1 ZINC000400624644 527482783 /nfs/dbraw/zinc/48/27/83/527482783.db2.gz NCRHGMZOTRMCQF-MELADBBJSA-N 2 0 238.375 1.344 20 0 BDADRP COC[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000335570843 536523982 /nfs/dbraw/zinc/52/39/82/536523982.db2.gz VTNYHRZSSFXXBT-VXGBXAGGSA-N 2 0 212.337 1.049 20 0 BDADRP CC(C)OCCC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400358308 527949364 /nfs/dbraw/zinc/94/93/64/527949364.db2.gz CALTYHUDRXIFRG-VXGBXAGGSA-N 2 0 214.353 1.532 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+]CC(C)(C)COC)C1 ZINC000494310402 528261854 /nfs/dbraw/zinc/26/18/54/528261854.db2.gz KUYNWSVSLMTGFK-CYBMUJFWSA-N 2 0 242.407 1.981 20 0 BDADRP CCOCCCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400519763 528656286 /nfs/dbraw/zinc/65/62/86/528656286.db2.gz GZFLITACVANFHV-NWDGAFQWSA-N 2 0 214.353 1.533 20 0 BDADRP CC(C)[NH+](CCN[C@@H](C)[C@H]1CCC[NH2+]1)C(C)C ZINC000400755841 528906662 /nfs/dbraw/zinc/90/66/62/528906662.db2.gz WZBKGOKMCWSERZ-UONOGXRCSA-N 2 0 241.423 1.835 20 0 BDADRP CC(C)[NH+](CCN[C@H](C)[C@@H]1CCC[NH2+]1)C(C)C ZINC000400755840 528907256 /nfs/dbraw/zinc/90/72/56/528907256.db2.gz WZBKGOKMCWSERZ-KGLIPLIRSA-N 2 0 241.423 1.835 20 0 BDADRP CC(C)[NH+]1CCC(O)(C[NH2+]C[C@@H]2C[C@H]2C)CC1 ZINC000488439348 529004226 /nfs/dbraw/zinc/00/42/26/529004226.db2.gz ZRBSDXQNJYXTBU-OLZOCXBDSA-N 2 0 240.391 1.467 20 0 BDADRP CC(C)[NH+]1CCC(O)(C[NH2+]C[C@@H]2C[C@@H]2C)CC1 ZINC000488439350 529005208 /nfs/dbraw/zinc/00/52/08/529005208.db2.gz ZRBSDXQNJYXTBU-STQMWFEESA-N 2 0 240.391 1.467 20 0 BDADRP CC[NH+]1CCN(CCC[NH2+]C[C@H]2C[C@H]2C)CC1 ZINC000488422815 529144919 /nfs/dbraw/zinc/14/49/19/529144919.db2.gz ZAQRQXNKENLRAV-ZIAGYGMSSA-N 2 0 239.407 1.260 20 0 BDADRP CC[NH+]1CCN(CCC[NH2+]C[C@@H]2C[C@@H]2C)CC1 ZINC000488422803 529145024 /nfs/dbraw/zinc/14/50/24/529145024.db2.gz ZAQRQXNKENLRAV-KBPBESRZSA-N 2 0 239.407 1.260 20 0 BDADRP CC(C)[C@H](CO)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251318049 535038426 /nfs/dbraw/zinc/03/84/26/535038426.db2.gz LRJTWZTUJXHHKO-AVGNSLFASA-N 2 0 226.364 1.220 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000342716756 535044144 /nfs/dbraw/zinc/04/41/44/535044144.db2.gz DRGSKJLDWWIFMA-WCQYABFASA-N 2 0 241.379 1.010 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000342716752 535044868 /nfs/dbraw/zinc/04/48/68/535044868.db2.gz DRGSKJLDWWIFMA-AAEUAGOBSA-N 2 0 241.379 1.010 20 0 BDADRP CCC[N@H+](CC)CCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000217722662 535301408 /nfs/dbraw/zinc/30/14/08/535301408.db2.gz YMMNEKXDEXDPPE-OLZOCXBDSA-N 2 0 227.396 1.435 20 0 BDADRP CC[NH2+]CC1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261772808 535457809 /nfs/dbraw/zinc/45/78/09/535457809.db2.gz MVQRQPHOYSXRKS-CQSZACIVSA-N 3 0 239.407 1.308 20 0 BDADRP CC[NH2+]CC1CC[NH+](C[C@H]2C[C@@H]2C)CC1 ZINC000261554756 535458516 /nfs/dbraw/zinc/45/85/16/535458516.db2.gz UMLVXZJWNJPQGS-WCQYABFASA-N 2 0 210.365 1.964 20 0 BDADRP CCOc1ccccc1C[NH2+][C@@H](C)CC[NH3+] ZINC000220538249 535511101 /nfs/dbraw/zinc/51/11/01/535511101.db2.gz GNGFYRROAMNUPU-NSHDSACASA-N 2 0 222.332 1.912 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])C1(C)C ZINC000261530557 535513275 /nfs/dbraw/zinc/51/32/75/535513275.db2.gz CQVGNIDIAYOOEC-XWLWVQCSSA-N 2 0 214.353 1.515 20 0 BDADRP CC[C@@H](C)C[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000233819999 535523137 /nfs/dbraw/zinc/52/31/37/535523137.db2.gz LZYMXACGWXFVML-GFCCVEGCSA-N 2 0 228.380 1.638 20 0 BDADRP CCOCCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000084215645 535550690 /nfs/dbraw/zinc/55/06/90/535550690.db2.gz KBLQAAFWXGTLLM-NWDGAFQWSA-N 2 0 214.353 1.520 20 0 BDADRP CCSCC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252865006 535684754 /nfs/dbraw/zinc/68/47/54/535684754.db2.gz POBWIWIYIVEXOM-SRVKXCTJSA-N 2 0 228.405 1.799 20 0 BDADRP CC[C@H](COC)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251117495 536122997 /nfs/dbraw/zinc/12/29/97/536122997.db2.gz VOHKMNDNLRWFMR-AGIUHOORSA-N 2 0 226.364 1.628 20 0 BDADRP C[N@H+](CC1CC1)C[C@@H]1CCN(CC(C)(C)[NH3+])C1 ZINC000261949769 536180901 /nfs/dbraw/zinc/18/09/01/536180901.db2.gz NUMDVJVFZGWIJA-ZDUSSCGKSA-N 2 0 239.407 1.387 20 0 BDADRP COCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000250481229 536590390 /nfs/dbraw/zinc/59/03/90/536590390.db2.gz WJCRKKMTMXPTBX-BFHYXJOUSA-N 2 0 240.391 1.923 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1cccc(C)c1 ZINC000234731365 536596570 /nfs/dbraw/zinc/59/65/70/536596570.db2.gz IZFITGZWJXSOGQ-CQSZACIVSA-N 2 0 236.359 1.839 20 0 BDADRP COc1ccccc1CC[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000230285658 537039196 /nfs/dbraw/zinc/03/91/96/537039196.db2.gz XBNCXVBNKJTKGZ-ZDUSSCGKSA-N 2 0 248.370 1.827 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@H](O)c2ccccn2)C1 ZINC000853065302 588718681 /nfs/dbraw/zinc/71/86/81/588718681.db2.gz XOMZWZLZJVQCNA-SCRDCRAPSA-N 2 0 249.358 1.045 20 0 BDADRP CC[C@@H]1C[C@@H](C[NH2+]CC23CC(C2)C[NH2+]3)CCO1 ZINC000853245633 588728523 /nfs/dbraw/zinc/72/85/23/588728523.db2.gz AGZHWERSIRFLJO-RJZJGCCBSA-N 2 0 238.375 1.533 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+][C@H](C)C[NH2+]C)CCO1 ZINC000853249713 588729116 /nfs/dbraw/zinc/72/91/16/588729116.db2.gz UTDKWYFZFLUKRE-IJLUTSLNSA-N 2 0 214.353 1.389 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C=CCC1 ZINC000854221732 588780272 /nfs/dbraw/zinc/78/02/72/588780272.db2.gz UBQHAPBOAFURHH-USZNOCQGSA-N 2 0 210.321 1.047 20 0 BDADRP C[C@H]1CCCC[N@@H+]1CCNc1cc[nH+]cc1CO ZINC000891838914 582728968 /nfs/dbraw/zinc/72/89/68/582728968.db2.gz XKRCSENTQSEVLL-LBPRGKRZSA-N 2 0 249.358 1.282 20 0 BDADRP C[NH+]1CCC(C[N@H+](CCCCO)C2CC2)CC1 ZINC000892036589 582769581 /nfs/dbraw/zinc/76/95/81/582769581.db2.gz WDSRZLJJWBLAAH-UHFFFAOYSA-N 2 0 240.391 1.565 20 0 BDADRP CC[C@@H](C)[N@H+](C)CCNc1cc[nH+]cc1CO ZINC000892285102 582827140 /nfs/dbraw/zinc/82/71/40/582827140.db2.gz SBBWZQRBOKHFSL-LLVKDONJSA-N 2 0 237.347 1.138 20 0 BDADRP CCC[N@@H+]1CCC[C@H]1CNC1=[NH+]CCCCN1 ZINC000849216592 582844090 /nfs/dbraw/zinc/84/40/90/582844090.db2.gz LPBVINIPKQRKOI-LBPRGKRZSA-N 2 0 238.379 1.190 20 0 BDADRP C[C@@H](C1CC1)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000782181704 582869943 /nfs/dbraw/zinc/86/99/43/582869943.db2.gz JKSWTUWOMFBREB-LBPRGKRZSA-N 2 0 240.391 1.564 20 0 BDADRP CN(C)c1cc(NC[C@H]2CCC[N@H+](C)C2)ncn1 ZINC000892421870 582883334 /nfs/dbraw/zinc/88/33/34/582883334.db2.gz PPHMAEQHSKAICP-LLVKDONJSA-N 2 0 249.362 1.296 20 0 BDADRP Cc1cc(C[NH2+]CCCC[NH+](C)C)cnc1F ZINC000892742208 582974554 /nfs/dbraw/zinc/97/45/54/582974554.db2.gz VTQHTSBQADHVQK-UHFFFAOYSA-N 2 0 239.338 1.961 20 0 BDADRP Cc1cc(N)nc(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)[nH+]1 ZINC000892824428 582989674 /nfs/dbraw/zinc/98/96/74/582989674.db2.gz QQZLWCXUKHHJAR-GHMZBOCLSA-N 2 0 249.362 1.652 20 0 BDADRP C([C@@H]1C[C@H]2C[C@H]2C1)[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000852750613 583016748 /nfs/dbraw/zinc/01/67/48/583016748.db2.gz ABGHAUJVJJIDEQ-XJFOESAGSA-N 2 0 220.360 1.860 20 0 BDADRP C[C@H]1C[N@H+](CC2CC[NH+](C)CC2)[C@@H](C)CN1C ZINC000893668435 583192292 /nfs/dbraw/zinc/19/22/92/583192292.db2.gz FJVUPDOEYQSXKL-STQMWFEESA-N 2 0 239.407 1.353 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CCO)C1 ZINC000894456881 583464621 /nfs/dbraw/zinc/46/46/21/583464621.db2.gz RPLLMDKLBSQFHD-NEPJUHHUSA-N 2 0 214.353 1.077 20 0 BDADRP CC[N@H+](CC1CC[NH+](C)CC1)[C@H](C)CO ZINC000894583342 583488568 /nfs/dbraw/zinc/48/85/68/583488568.db2.gz YHRZFUDJUTWRCP-LLVKDONJSA-N 2 0 214.353 1.031 20 0 BDADRP CC[C@H]1CN(C)CC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000894640398 583499332 /nfs/dbraw/zinc/49/93/32/583499332.db2.gz CBBMJAYJBLHHCZ-AWEZNQCLSA-N 2 0 239.407 1.354 20 0 BDADRP COCCC1(C)C[NH+](CC2CC[NH+](C)CC2)C1 ZINC000894839437 583529202 /nfs/dbraw/zinc/52/92/02/583529202.db2.gz IPPXAARBXDTEMC-UHFFFAOYSA-N 2 0 240.391 1.687 20 0 BDADRP C[C@H](COCC1CC1)[NH2+]CC1CC[NH+](C)CC1 ZINC000895169493 583612100 /nfs/dbraw/zinc/61/21/00/583612100.db2.gz JEGJMZMSALCSKM-GFCCVEGCSA-N 2 0 240.391 1.733 20 0 BDADRP CC1=NO[C@H](C[NH2+]CC2CC[NH+](C)CC2)C1 ZINC000895429785 583668984 /nfs/dbraw/zinc/66/89/84/583668984.db2.gz VCGZXVUMIPDIBL-LBPRGKRZSA-N 2 0 225.336 1.083 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCO[C@@H](CCF)C2)CC1 ZINC000895628286 583698406 /nfs/dbraw/zinc/69/84/06/583698406.db2.gz OMYGCFOLZCLAGE-ZDUSSCGKSA-N 2 0 244.354 1.389 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2C[C@H](O)CC(C)(C)C2)CC1 ZINC000895849323 583737096 /nfs/dbraw/zinc/73/70/96/583737096.db2.gz UCOLQKDVOXEGFP-CYBMUJFWSA-N 2 0 240.391 1.421 20 0 BDADRP COCCN1CCC[C@H]1C[NH2+]Cc1ccoc1 ZINC000727838380 583783025 /nfs/dbraw/zinc/78/30/25/583783025.db2.gz KFVZPDCNJAVMRH-ZDUSSCGKSA-N 2 0 238.331 1.480 20 0 BDADRP CC(C)[C@H](C(=O)NCC(C)(C)[NH+](C)C)[C@@H](C)[NH3+] ZINC000399456478 583794530 /nfs/dbraw/zinc/79/45/30/583794530.db2.gz PVAVOQMRRXITOX-MNOVXSKESA-N 2 0 243.395 1.062 20 0 BDADRP CC1(C)CC([NH2+]C[C@@H](O)C2CC2)CC(C)(C)[NH2+]1 ZINC000840732610 583945470 /nfs/dbraw/zinc/94/54/70/583945470.db2.gz FWVHXDCEEDRCFQ-GFCCVEGCSA-N 2 0 240.391 1.656 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000872143017 583948239 /nfs/dbraw/zinc/94/82/39/583948239.db2.gz JFEUYXISWXPGAS-CHWSQXEVSA-N 2 0 238.375 1.616 20 0 BDADRP C[C@@H]1C[C@H]1NC(=[NH2+])NCC[NH+]1CCC(C)CC1 ZINC000864453896 584005734 /nfs/dbraw/zinc/00/57/34/584005734.db2.gz QZCYZKVYPYVOPX-VXGBXAGGSA-N 2 0 238.379 1.241 20 0 BDADRP C[NH+]1CCC(C[NH2+]CC[C@@H](O)C2CC2)CC1 ZINC000898191990 584095815 /nfs/dbraw/zinc/09/58/15/584095815.db2.gz BIRINFYVHIHRRB-CYBMUJFWSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000873237869 584127876 /nfs/dbraw/zinc/12/78/76/584127876.db2.gz USKXGLUUUIBSTF-UPJWGTAASA-N 2 0 239.407 1.352 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCCOC1 ZINC000873251402 584128072 /nfs/dbraw/zinc/12/80/72/584128072.db2.gz MKCUBRKIHJUDEE-NNYUYHANSA-N 2 0 212.337 1.128 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)C1CC[NH2+]CC1 ZINC000873270547 584128508 /nfs/dbraw/zinc/12/85/08/584128508.db2.gz WSBIRQRPRJLIOZ-MBNYWOFBSA-N 3 0 239.407 1.495 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000873282570 584129062 /nfs/dbraw/zinc/12/90/62/584129062.db2.gz VHHFNJNXFIZUMG-FHUSYTEZSA-N 2 0 224.348 1.413 20 0 BDADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H](C)C1CC1 ZINC000899263757 584191230 /nfs/dbraw/zinc/19/12/30/584191230.db2.gz MWUDEOBIUMCXKL-JQWIXIFHSA-N 2 0 238.379 1.383 20 0 BDADRP C[C@H](NC(=[NH2+])NCCN1CC=CCC1)C1CC1 ZINC000899271894 584191419 /nfs/dbraw/zinc/19/14/19/584191419.db2.gz RXCKJPUBOGOISN-NSHDSACASA-N 2 0 236.363 1.161 20 0 BDADRP C[C@H]([NH3+])c1ccc(-c2cnn(C)c2C[NH3+])cc1 ZINC000899323941 584196401 /nfs/dbraw/zinc/19/64/01/584196401.db2.gz WBRNYFQNMUPUPA-VIFPVBQESA-N 2 0 230.315 1.566 20 0 BDADRP CC[C@H]([NH3+])c1cn(C[C@@H]2CCCC[NH2+]C2)nn1 ZINC000899741285 584233654 /nfs/dbraw/zinc/23/36/54/584233654.db2.gz OPOSZPHTTOGMOK-MNOVXSKESA-N 2 0 237.351 1.078 20 0 BDADRP CC[C@H]([NH3+])c1cn(C[C@H]2CCCC[NH2+]C2)nn1 ZINC000899741286 584234214 /nfs/dbraw/zinc/23/42/14/584234214.db2.gz OPOSZPHTTOGMOK-QWRGUYRKSA-N 2 0 237.351 1.078 20 0 BDADRP C[NH+]1CCC2(CC[N@@H+]2C[C@@](C)(O)C(F)F)CC1 ZINC000899909402 584249807 /nfs/dbraw/zinc/24/98/07/584249807.db2.gz BFQJITRATGZROX-LLVKDONJSA-N 2 0 248.317 1.173 20 0 BDADRP C[C@]1(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CCOC1 ZINC000902321931 584551416 /nfs/dbraw/zinc/55/14/16/584551416.db2.gz ZFNYMNSDBDTNJX-GXTWGEPZSA-N 2 0 240.391 1.781 20 0 BDADRP COCCC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902319984 584552072 /nfs/dbraw/zinc/55/20/72/584552072.db2.gz NYUTXHHGUAKGPB-NSHDSACASA-N 2 0 214.353 1.391 20 0 BDADRP CC(C)[N@H+](C)CCN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902348234 584559504 /nfs/dbraw/zinc/55/95/04/584559504.db2.gz XYTYLLYWVJHRRX-CYBMUJFWSA-N 2 0 241.423 1.694 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902372668 584566572 /nfs/dbraw/zinc/56/65/72/584566572.db2.gz UHMPENNAXMWOIJ-STQMWFEESA-N 2 0 242.407 1.763 20 0 BDADRP [NH3+]C1(C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)CC1 ZINC000902409228 584575365 /nfs/dbraw/zinc/57/53/65/584575365.db2.gz JZPHLKCIHBZWJJ-IJLUTSLNSA-N 2 0 224.348 1.273 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H](O)C2CCC2)C1 ZINC000902386285 584578487 /nfs/dbraw/zinc/57/84/87/584578487.db2.gz DXNSXXWNMATXEF-QWHCGFSZSA-N 2 0 240.391 1.515 20 0 BDADRP C[C@H](CCO)CC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902387274 584579221 /nfs/dbraw/zinc/57/92/21/584579221.db2.gz IXRBISYNBOBVDU-STQMWFEESA-N 2 0 242.407 1.763 20 0 BDADRP C[C@H]([NH3+])CCN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902390107 584581282 /nfs/dbraw/zinc/58/12/82/584581282.db2.gz HCPVGZAJLDKXHJ-WDEREUQCSA-N 2 0 213.369 1.092 20 0 BDADRP CC1(C)C[NH2+]CC[C@H](N[C@H]2CCCC[NH2+]C2)C1 ZINC000902392287 584582489 /nfs/dbraw/zinc/58/24/89/584582489.db2.gz GTOXWLMNXPYJDT-STQMWFEESA-N 2 0 239.407 1.496 20 0 BDADRP CC[C@H]([NH3+])CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902392869 584583384 /nfs/dbraw/zinc/58/33/84/584583384.db2.gz LCUKXTLFPQEOQK-WDEREUQCSA-N 2 0 213.369 1.092 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H](N[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000902393439 584583760 /nfs/dbraw/zinc/58/37/60/584583760.db2.gz RGKWXSOBNOTMJL-JHJVBQTASA-N 2 0 239.407 1.624 20 0 BDADRP C[C@@H]1COC[C@@H]1[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902403499 584588272 /nfs/dbraw/zinc/58/82/72/584588272.db2.gz HKHDQSYFQQJMOA-WOPDTQHZSA-N 2 0 226.364 1.389 20 0 BDADRP NOCCC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000902416627 584590513 /nfs/dbraw/zinc/59/05/13/584590513.db2.gz VFWSCZGOMFVKQI-NEPJUHHUSA-N 2 0 221.304 1.001 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000902432720 584595680 /nfs/dbraw/zinc/59/56/80/584595680.db2.gz WVEJIXPCZSFCJX-UKJIMTQDSA-N 2 0 226.364 1.659 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)[C@H]1CCC[NH2+]1 ZINC000902434318 584595924 /nfs/dbraw/zinc/59/59/24/584595924.db2.gz NIIUIRRMJCXAPN-RQJABVFESA-N 2 0 240.391 1.658 20 0 BDADRP CC1(C)C[NH2+]C[C@H]1N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902441243 584597677 /nfs/dbraw/zinc/59/76/77/584597677.db2.gz CZFQNHLAVNLNGC-NWDGAFQWSA-N 2 0 239.407 1.352 20 0 BDADRP CC1(C)C[NH2+]C[C@H]1N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902441245 584597880 /nfs/dbraw/zinc/59/78/80/584597880.db2.gz CZFQNHLAVNLNGC-VXGBXAGGSA-N 2 0 239.407 1.352 20 0 BDADRP CC1(C)C[NH2+]C[C@@H]1[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000902444266 584598164 /nfs/dbraw/zinc/59/81/64/584598164.db2.gz MXZPBWGIYGJVGD-WOPDTQHZSA-N 2 0 208.349 1.763 20 0 BDADRP CC1(C)C[NH2+]C[C@@H]1[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000902444247 584598528 /nfs/dbraw/zinc/59/85/28/584598528.db2.gz MXZPBWGIYGJVGD-SRVKXCTJSA-N 2 0 208.349 1.763 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000902444501 584598801 /nfs/dbraw/zinc/59/88/01/584598801.db2.gz IEWDUYVNOMENOQ-FGLXMSFASA-N 2 0 226.389 1.882 20 0 BDADRP COCC1CCC([NH2+][C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000902445971 584599051 /nfs/dbraw/zinc/59/90/51/584599051.db2.gz RCMYTIVMWLTRKK-WXRRBKDZSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H](CCc1ccco1)[NH2+]CC1(N)CC1 ZINC000902414819 584600660 /nfs/dbraw/zinc/60/06/60/584600660.db2.gz CXLMBLQWHRWXIL-JTQLQIEISA-N 2 0 208.305 1.682 20 0 BDADRP C[C@@H](NCC1([NH3+])CC1)c1ccc(F)cc1 ZINC000902414897 584600752 /nfs/dbraw/zinc/60/07/52/584600752.db2.gz GAMOUSPKLGOVRK-SECBINFHSA-N 2 0 208.280 1.968 20 0 BDADRP CC1(C)C[NH2+]C[C@@H]1N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000902446979 584604110 /nfs/dbraw/zinc/60/41/10/584604110.db2.gz WSPGWWNHOIDGDB-MJBXVCDLSA-N 2 0 245.370 1.719 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cnn(CCF)c1 ZINC000902446469 584604316 /nfs/dbraw/zinc/60/43/16/584604316.db2.gz OUEAQEWTUFASNV-UWVGGRQHSA-N 2 0 228.315 1.068 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2C[NH2+]CC2(C)C)CC[N@@H+]1C ZINC000902449777 584606475 /nfs/dbraw/zinc/60/64/75/584606475.db2.gz QDURAGXNBVTIKL-IJLUTSLNSA-N 2 0 225.380 1.057 20 0 BDADRP C[C@@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)C1CCOCC1 ZINC000902449395 584606479 /nfs/dbraw/zinc/60/64/79/584606479.db2.gz NUHBQVWZTCOILT-ZYHUDNBSSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC000902456801 584610563 /nfs/dbraw/zinc/61/05/63/584610563.db2.gz PPTAVEVIUQPNJB-LQSBQDLSSA-N 2 0 238.375 1.517 20 0 BDADRP CO[C@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC000902466912 584614592 /nfs/dbraw/zinc/61/45/92/584614592.db2.gz ORHZDBKDPSJOPQ-FPYNETTCSA-N 2 0 224.348 1.427 20 0 BDADRP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccncc1 ZINC000902490811 584617922 /nfs/dbraw/zinc/61/79/22/584617922.db2.gz UBYNCSBQDJYGDV-NHCYSSNCSA-N 2 0 205.305 1.470 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@@H](O)C1CC1 ZINC000902505427 584621283 /nfs/dbraw/zinc/62/12/83/584621283.db2.gz SHGOSSYFIUVSFH-NFMDPKQHSA-N 2 0 238.375 1.253 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC=CC[C@H]1C ZINC000902505429 584621449 /nfs/dbraw/zinc/62/14/49/584621449.db2.gz SHRMKUKIHTVUKW-FRRDWIJNSA-N 2 0 226.364 1.685 20 0 BDADRP C[C@H](CCCCO)[NH2+]C[C@H]1CCCCC[NH2+]1 ZINC000902481630 584623629 /nfs/dbraw/zinc/62/36/29/584623629.db2.gz FVDOBWLCWVECOO-CHWSQXEVSA-N 2 0 228.380 1.659 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1NC[C@@H]1CCCCC[NH2+]1 ZINC000902484647 584624550 /nfs/dbraw/zinc/62/45/50/584624550.db2.gz XBSLUGYEPQKMHX-AVGNSLFASA-N 2 0 225.380 1.236 20 0 BDADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902483755 584624594 /nfs/dbraw/zinc/62/45/94/584624594.db2.gz AWSQFSJCBXPBGU-NHCYSSNCSA-N 2 0 234.347 1.124 20 0 BDADRP CC(C)[C@H](Cn1cccn1)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902483803 584624824 /nfs/dbraw/zinc/62/48/24/584624824.db2.gz CLONVWILPJBOAR-AVGNSLFASA-N 2 0 236.363 1.235 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C12CCC2 ZINC000902486133 584625223 /nfs/dbraw/zinc/62/52/23/584625223.db2.gz PWSZBQUFRADMMT-FDYHWXHSSA-N 2 0 238.375 1.661 20 0 BDADRP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)c2nccn21 ZINC000902487315 584625806 /nfs/dbraw/zinc/62/58/06/584625806.db2.gz SUEQTTJCBZMIQE-NAKRPEOUSA-N 2 0 220.320 1.216 20 0 BDADRP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1nccs1 ZINC000902487203 584626252 /nfs/dbraw/zinc/62/62/52/584626252.db2.gz KKFJKHRQGXFHJY-IWSPIJDZSA-N 2 0 211.334 1.531 20 0 BDADRP CCC1(CC)[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C[C@@H]1OC ZINC000902488402 584626502 /nfs/dbraw/zinc/62/65/02/584626502.db2.gz YAPLOFQBJXFVKL-CYDGBPFRSA-N 2 0 240.391 1.907 20 0 BDADRP CCn1ccnc1[C@@H](C)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902487345 584626733 /nfs/dbraw/zinc/62/67/33/584626733.db2.gz TXASXLUEQCZZEV-GMTAPVOTSA-N 2 0 222.336 1.291 20 0 BDADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902489006 584627298 /nfs/dbraw/zinc/62/72/98/584627298.db2.gz PRVOJFXHVSQKIF-FQUUOJAGSA-N 3 0 239.407 1.624 20 0 BDADRP CC(C)C[C@@H](C[NH+](C)C)N[C@@H](C)C[C@H](C)[NH3+] ZINC000902514000 584629256 /nfs/dbraw/zinc/62/92/56/584629256.db2.gz KDHPJLXWYLMSIG-AVGNSLFASA-N 2 0 229.412 1.678 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1COC[C@H]1C1CC1 ZINC000902517161 584630291 /nfs/dbraw/zinc/63/02/91/584630291.db2.gz HPXXXLOGSRDXHM-KGYLQXTDSA-N 2 0 226.364 1.519 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000902517016 584630350 /nfs/dbraw/zinc/63/03/50/584630350.db2.gz GCGMTLMIKICLBZ-SPWCGHHHSA-N 2 0 246.354 1.362 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1COC[C@H]1C1CC1 ZINC000902521417 584631224 /nfs/dbraw/zinc/63/12/24/584631224.db2.gz SOJURVIYBDHFEG-ZDEQEGDKSA-N 2 0 224.348 1.128 20 0 BDADRP CO[C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000903185119 584733474 /nfs/dbraw/zinc/73/34/74/584733474.db2.gz HPENKQFQIGMGDM-HZSPNIEDSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]([NH2+]CC[C@H](O)C1CC1)C1CC[NH+](C)CC1 ZINC000903404768 584758344 /nfs/dbraw/zinc/75/83/44/584758344.db2.gz LVASUFZXPSAFPE-FZMZJTMJSA-N 2 0 240.391 1.467 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H]3COCC[C@H]32)C1 ZINC000903441459 584763752 /nfs/dbraw/zinc/76/37/52/584763752.db2.gz SZLQTTFFSMPUCQ-REWJHTLYSA-N 2 0 238.375 1.615 20 0 BDADRP C([C@H]1CCC[NH2+]1)[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000903441429 584763953 /nfs/dbraw/zinc/76/39/53/584763953.db2.gz RPMHWGHIFJKOQQ-YNEHKIRRSA-N 2 0 224.348 1.239 20 0 BDADRP C[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H]1CN ZINC000903424823 584764984 /nfs/dbraw/zinc/76/49/84/584764984.db2.gz HYVDZQLRGNEJAK-FVCCEPFGSA-N 2 0 225.380 1.173 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000903461209 584766893 /nfs/dbraw/zinc/76/68/93/584766893.db2.gz PJQVSGYPANJBFV-MQYQWHSLSA-N 3 0 239.407 1.291 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000903441871 584767111 /nfs/dbraw/zinc/76/71/11/584767111.db2.gz CTENJCKCFXWTAF-RISCZKNCSA-N 2 0 248.374 1.445 20 0 BDADRP C([C@H]1CCC[NH2+]1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000903444218 584769595 /nfs/dbraw/zinc/76/95/95/584769595.db2.gz QADUZEWKTZQEPL-ZIAGYGMSSA-N 2 0 237.391 1.156 20 0 BDADRP C([C@H]1CCC[NH2+]1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000903446477 584769993 /nfs/dbraw/zinc/76/99/93/584769993.db2.gz XDHKLVHGPIKKBG-MGPQQGTHSA-N 2 0 237.391 1.202 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCOC[C@@H]2C2CC2)C1 ZINC000903454959 584773102 /nfs/dbraw/zinc/77/31/02/584773102.db2.gz OWSNRWUCPVIYQV-CYZMBNFOSA-N 2 0 224.348 1.225 20 0 BDADRP CC[N@@H+]1C[C@@H](C)N(C[C@@H]2C[NH2+]C[C@H]2C)C[C@@H]1C ZINC000903454591 584773511 /nfs/dbraw/zinc/77/35/11/584773511.db2.gz DLXACHGKPMZAHA-RQJABVFESA-N 2 0 239.407 1.256 20 0 BDADRP CCOC(=O)C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1CC1 ZINC000903455281 584774060 /nfs/dbraw/zinc/77/40/60/584774060.db2.gz SJDGQBDITKDVKH-MNOVXSKESA-N 2 0 240.347 1.141 20 0 BDADRP CCOCCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903470152 584774489 /nfs/dbraw/zinc/77/44/89/584774489.db2.gz GUBFGCPWTBBVGE-LLVKDONJSA-N 2 0 212.337 1.287 20 0 BDADRP C(C[C@@H]1CCCCO1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903470976 584775215 /nfs/dbraw/zinc/77/52/15/584775215.db2.gz FTVMIIGAJWGEPC-STQMWFEESA-N 2 0 238.375 1.820 20 0 BDADRP CC[NH+](CC)CCCN[C@@H]1CC[NH2+]C12CCC2 ZINC000903472767 584776157 /nfs/dbraw/zinc/77/61/57/584776157.db2.gz WEHVKSKWDUBAIK-CYBMUJFWSA-N 2 0 239.407 1.593 20 0 BDADRP [NH3+]C[C@H]1Cc2ccccc2N(C[C@H]2CCC[NH2+]2)C1 ZINC000903475865 584776566 /nfs/dbraw/zinc/77/65/66/584776566.db2.gz GKHJOTGZZBLKDD-TZMCWYRMSA-N 2 0 245.370 1.376 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)C1 ZINC000903475763 584776864 /nfs/dbraw/zinc/77/68/64/584776864.db2.gz CIGKQYODIXJFSE-UMSGYPCISA-N 2 0 240.416 1.799 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(CCF)CC1 ZINC000903476938 584777127 /nfs/dbraw/zinc/77/71/27/584777127.db2.gz OQCIRIQWLAFXJN-YPMHNXCESA-N 2 0 228.355 1.914 20 0 BDADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CCOC2CC2)C1 ZINC000903476380 584777646 /nfs/dbraw/zinc/77/76/46/584777646.db2.gz VOSHIZNAXTWBJI-AWEZNQCLSA-N 2 0 240.391 1.862 20 0 BDADRP C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903481915 584778514 /nfs/dbraw/zinc/77/85/14/584778514.db2.gz QGDKYZYTYOBIID-RWMBFGLXSA-N 2 0 238.375 1.676 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN1[C@H](C)[C@H](C)CC[C@@H]1C[NH3+] ZINC000903482548 584779088 /nfs/dbraw/zinc/77/90/88/584779088.db2.gz KLCYQMMWAJTSBF-XGFWRYKXSA-N 2 0 239.407 1.290 20 0 BDADRP CCOCCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903483245 584779299 /nfs/dbraw/zinc/77/92/99/584779299.db2.gz GJCHTIKOCQJXNK-GFCCVEGCSA-N 2 0 226.364 1.677 20 0 BDADRP C[C@H]1OCC[C@@H]1C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903498855 584780061 /nfs/dbraw/zinc/78/00/61/584780061.db2.gz LRQMDRSDHQOLJI-FDYHWXHSSA-N 2 0 226.364 1.328 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H]1CC[NH3+] ZINC000903499576 584780122 /nfs/dbraw/zinc/78/01/22/584780122.db2.gz WORHBGQKPGDJHY-LPWJVIDDSA-N 3 0 225.380 1.031 20 0 BDADRP Cc1noc([C@H](C)[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)n1 ZINC000903496559 584781126 /nfs/dbraw/zinc/78/11/26/584781126.db2.gz SHHIZBUFTSURMM-WCABBAIRSA-N 2 0 238.335 1.356 20 0 BDADRP C[N@H+](CCC[NH3+])CCOC1CCSCC1 ZINC000903717138 584792306 /nfs/dbraw/zinc/79/23/06/584792306.db2.gz HNOBMOFNGKMCLQ-UHFFFAOYSA-N 2 0 232.393 1.179 20 0 BDADRP CCOC(=O)[C@@H]1C[C@H]1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000903717766 584792343 /nfs/dbraw/zinc/79/23/43/584792343.db2.gz WABDMJGQFKFVDI-WDEREUQCSA-N 2 0 242.363 1.102 20 0 BDADRP C([C@H]1CCCC[NH2+]C1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903716903 584792440 /nfs/dbraw/zinc/79/24/40/584792440.db2.gz DRHNEXKXYJZOIW-MJBXVCDLSA-N 2 0 237.391 1.202 20 0 BDADRP CN(C[C@@H]1CCCC[NH2+]C1)CC(C)(C)C[NH3+] ZINC000903717204 584792444 /nfs/dbraw/zinc/79/24/44/584792444.db2.gz JVNNNGKDWLJRPP-GFCCVEGCSA-N 2 0 227.396 1.293 20 0 BDADRP CC(C)(C)C[N@H+](CCO)C[C@H]1CCCC[NH2+]C1 ZINC000903729366 584792993 /nfs/dbraw/zinc/79/29/93/584792993.db2.gz LPOMRMWADOSQSX-ZDUSSCGKSA-N 2 0 242.407 1.717 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)[C@H]1C ZINC000903731616 584793154 /nfs/dbraw/zinc/79/31/54/584793154.db2.gz BVSZPPKKSLJLMW-ZOBORPQBSA-N 2 0 238.375 1.485 20 0 BDADRP C[C@]1(C[NH3+])CCN(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903745866 584794421 /nfs/dbraw/zinc/79/44/21/584794421.db2.gz AQYNJHKUJDBVHV-CHWSQXEVSA-N 2 0 225.380 1.047 20 0 BDADRP CN(C[C@@H]1CCCC[NH2+]C1)[C@H](C[NH3+])C1CC1 ZINC000903750004 584794518 /nfs/dbraw/zinc/79/45/18/584794518.db2.gz UAGOEEYTJOASNN-DGCLKSJQSA-N 2 0 225.380 1.045 20 0 BDADRP C([C@H]1CCCC[NH2+]C1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000903749871 584794722 /nfs/dbraw/zinc/79/47/22/584794722.db2.gz RCZOBEAFQUGRRI-BFHYXJOUSA-N 2 0 237.391 1.060 20 0 BDADRP C[C@@H]1CC[C@H](C)[N@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903734381 584796052 /nfs/dbraw/zinc/79/60/52/584796052.db2.gz YSLOXZXBSJIHPV-CRWXNKLISA-N 2 0 238.375 1.628 20 0 BDADRP CC12CC(C1)C[N@@H+]2C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903769315 584797859 /nfs/dbraw/zinc/79/78/59/584797859.db2.gz CKMCBUOHYYLXEJ-GNRIBBGQSA-N 2 0 236.359 1.239 20 0 BDADRP CC12CC(C1)C[N@@H+]2C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903769314 584797891 /nfs/dbraw/zinc/79/78/91/584797891.db2.gz CKMCBUOHYYLXEJ-FKZOYECMSA-N 2 0 236.359 1.239 20 0 BDADRP CC[C@H](C)[N@H+](CC)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903767927 584798371 /nfs/dbraw/zinc/79/83/71/584798371.db2.gz JNDHCOJBXVXHGQ-MJBXVCDLSA-N 2 0 240.391 1.875 20 0 BDADRP CCC[N@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903756361 584798824 /nfs/dbraw/zinc/79/88/24/584798824.db2.gz QLPHEFCLFNAFRT-KGLIPLIRSA-N 2 0 238.375 1.629 20 0 BDADRP C[N@H+](CCCF)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903783826 584800358 /nfs/dbraw/zinc/80/03/58/584800358.db2.gz DZQQALHCGZOBTO-LBPRGKRZSA-N 2 0 244.354 1.437 20 0 BDADRP COCC[N@@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903815581 584800892 /nfs/dbraw/zinc/80/08/92/584800892.db2.gz RPNJBIZHFIWVSJ-GFCCVEGCSA-N 2 0 226.364 1.616 20 0 BDADRP [NH3+]C[C@@]12CC[C@@H]1CCCN2C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903805944 584802574 /nfs/dbraw/zinc/80/25/74/584802574.db2.gz SLGIZWQCPHAZBS-RFGFWPKPSA-N 2 0 237.391 1.317 20 0 BDADRP C[C@H]1CSCCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000903829352 584805818 /nfs/dbraw/zinc/80/58/18/584805818.db2.gz DOHXCEPKLSUFAC-NWDGAFQWSA-N 2 0 228.405 1.813 20 0 BDADRP C[C@H]1CCOCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903831617 584806000 /nfs/dbraw/zinc/80/60/00/584806000.db2.gz LGWIDRSDFIZPEY-TUAOUCFPSA-N 2 0 212.337 1.225 20 0 BDADRP [NH3+]CCC[N@@H+]1CC[C@H](Cc2nccs2)C1 ZINC000903831956 584806077 /nfs/dbraw/zinc/80/60/77/584806077.db2.gz OYHMCGODYHQOGU-SNVBAGLBSA-N 2 0 225.361 1.356 20 0 BDADRP NC[C@]12CC[C@@H]1CC[N@@H+]2CC[C@H]1CCCO1 ZINC000903856544 584808931 /nfs/dbraw/zinc/80/89/31/584808931.db2.gz ABOKYPBBFDCKFI-JHJVBQTASA-N 2 0 224.348 1.369 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@H]2CC[C@@]21CN ZINC000903856578 584809531 /nfs/dbraw/zinc/80/95/31/584809531.db2.gz ADONPZXHGNCRAC-UMSGYPCISA-N 2 0 224.348 1.225 20 0 BDADRP C[C@H]([NH3+])C1CCN(C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903874137 584815923 /nfs/dbraw/zinc/81/59/23/584815923.db2.gz SWCWLPMVQPYXND-WPRPVWTQSA-N 2 0 235.322 1.028 20 0 BDADRP [NH3+]CC1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903873548 584815963 /nfs/dbraw/zinc/81/59/63/584815963.db2.gz JQPVUCVLDDIWCO-AGUYFDCRSA-N 3 0 237.391 1.188 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903885919 584819287 /nfs/dbraw/zinc/81/92/87/584819287.db2.gz LYMOUANEEFEYDR-VXGBXAGGSA-N 2 0 249.362 1.044 20 0 BDADRP CC(C)[C@H]1C[N@H+](C)CCN1C[C@@H]([NH3+])CC(F)F ZINC000903903563 584820991 /nfs/dbraw/zinc/82/09/91/584820991.db2.gz VRDYRVXZDFZBCC-WDEREUQCSA-N 2 0 249.349 1.241 20 0 BDADRP CN(CCC[NH+]1CCCC1)C[C@H]([NH3+])CC(F)F ZINC000903904428 584821063 /nfs/dbraw/zinc/82/10/63/584821063.db2.gz VGDTXCXMBABLIK-LLVKDONJSA-N 2 0 249.349 1.387 20 0 BDADRP CC(C)[C@@H]1C[N@H+](C)CCN1C[C@@H]([NH3+])CC(F)F ZINC000903903562 584821229 /nfs/dbraw/zinc/82/12/29/584821229.db2.gz VRDYRVXZDFZBCC-QWRGUYRKSA-N 2 0 249.349 1.241 20 0 BDADRP C[C@@H]1CNC[C@H](C)[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903905765 584821251 /nfs/dbraw/zinc/82/12/51/584821251.db2.gz NNHQUUNSJHKFIC-LSPKCERGSA-N 2 0 237.391 1.199 20 0 BDADRP C[C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1CO ZINC000903908725 584821756 /nfs/dbraw/zinc/82/17/56/584821756.db2.gz OVWOGFBSJBXENW-JWURUJNWSA-N 2 0 238.375 1.220 20 0 BDADRP CC[N@@H+]1C[C@H](C)N(C[C@@H]([NH3+])CC(F)F)C[C@@H]1C ZINC000903909986 584821867 /nfs/dbraw/zinc/82/18/67/584821867.db2.gz ZCDFNKQKWSMOEY-DCAQKATOSA-N 2 0 249.349 1.383 20 0 BDADRP C[C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1CO ZINC000903908727 584822056 /nfs/dbraw/zinc/82/20/56/584822056.db2.gz OVWOGFBSJBXENW-RKFYDKJMSA-N 2 0 238.375 1.220 20 0 BDADRP CCCC[C@H](COC)[NH2+]CCC(C)(C)[NH3+] ZINC000903939516 584822245 /nfs/dbraw/zinc/82/22/45/584822245.db2.gz IDLVOLFIROQNSQ-LLVKDONJSA-N 2 0 216.369 1.909 20 0 BDADRP C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903913641 584822479 /nfs/dbraw/zinc/82/24/79/584822479.db2.gz QNMURLLAADYNHU-BXUZGUMPSA-N 2 0 246.354 1.287 20 0 BDADRP C[C@@H]1NCCC[C@@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903920236 584823126 /nfs/dbraw/zinc/82/31/26/584823126.db2.gz RTNKCPZLAWUPGK-WYTNZGFTSA-N 2 0 237.391 1.247 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903918763 584823210 /nfs/dbraw/zinc/82/32/10/584823210.db2.gz HEUSOYQSSNRJDB-YUSLTOFOSA-N 3 0 237.391 1.377 20 0 BDADRP [NH3+]C[C@H](NC[C@H]([NH3+])CC(F)F)C1CCCC1 ZINC000903919068 584823358 /nfs/dbraw/zinc/82/33/58/584823358.db2.gz LEDMQGCSYQSFJF-ZJUUUORDSA-N 2 0 235.322 1.076 20 0 BDADRP CCC(CC)[C@@H](O)C[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903923157 584823725 /nfs/dbraw/zinc/82/37/25/584823725.db2.gz MYWQJDHDNJRPNR-UWVGGRQHSA-N 2 0 238.322 1.356 20 0 BDADRP C[C@@H]1[C@@H](CO)CCCN1C[C@H]([NH3+])CC(F)F ZINC000903929632 584824172 /nfs/dbraw/zinc/82/41/72/584824172.db2.gz IEDWMRUDTRTDDD-OPRDCNLKSA-N 2 0 236.306 1.062 20 0 BDADRP C[NH2+]C[C@@H](C)NCc1cccc2c1CC[NH2+]C2 ZINC000903932364 584824936 /nfs/dbraw/zinc/82/49/36/584824936.db2.gz BZXNYWAFYDPRJH-LLVKDONJSA-N 2 0 233.359 1.030 20 0 BDADRP Cc1c(C[C@@H](C[NH3+])C[NH2+][C@@H]2C=CCC2)cnn1C ZINC000903933315 584825135 /nfs/dbraw/zinc/82/51/35/584825135.db2.gz OVBURYZDIWQIQE-GXTWGEPZSA-N 2 0 248.374 1.154 20 0 BDADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903931994 584825244 /nfs/dbraw/zinc/82/52/44/584825244.db2.gz KXAUTRANNGGSIF-FJCXZIGKSA-N 2 0 237.391 1.329 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903935704 584825894 /nfs/dbraw/zinc/82/58/94/584825894.db2.gz SVIXYERCCOCSQS-YEKKKDRXSA-N 3 0 237.391 1.247 20 0 BDADRP C[C@@H]1CN(CC(C)(C)[NH3+])CCN1c1cc[nH+]cc1 ZINC000903937432 584826512 /nfs/dbraw/zinc/82/65/12/584826512.db2.gz KSGKTFHOMZNXHR-GFCCVEGCSA-N 2 0 248.374 1.329 20 0 BDADRP C([NH2+]C[C@H]1CCCCN1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903917750 584826768 /nfs/dbraw/zinc/82/67/68/584826768.db2.gz MYYJIYWPPHSYAA-WTUNAVPPSA-N 2 0 237.391 1.249 20 0 BDADRP CC[C@H](COC)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903956967 584827801 /nfs/dbraw/zinc/82/78/01/584827801.db2.gz ODGHAWZTDVTJBC-NXEZZACHSA-N 2 0 236.306 1.246 20 0 BDADRP Cn1ccc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000903960037 584827840 /nfs/dbraw/zinc/82/78/40/584827840.db2.gz VMTNCQKIRVBKQZ-OAHLLOKOSA-N 2 0 247.386 1.991 20 0 BDADRP [NH3+]CCC[NH+]1CCC(Nc2ccccn2)CC1 ZINC000903960768 584828002 /nfs/dbraw/zinc/82/80/02/584828002.db2.gz YZTLVEBGYFKEPF-UHFFFAOYSA-N 2 0 234.347 1.307 20 0 BDADRP CCC1([NH3+])CCN([C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000903948534 584829941 /nfs/dbraw/zinc/82/99/41/584829941.db2.gz QDEYKXIZFKUMOS-RYUDHWBXSA-N 2 0 225.380 1.460 20 0 BDADRP CC(C)C[C@@H]([NH3+])CNC[C@H]1C[NH2+]CCC1(F)F ZINC000903956096 584832030 /nfs/dbraw/zinc/83/20/30/584832030.db2.gz GVIITCZSORXWHO-GHMZBOCLSA-N 2 0 249.349 1.194 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000903978855 584832893 /nfs/dbraw/zinc/83/28/93/584832893.db2.gz NGXHFSDPZLNEIY-NDBYEHHHSA-N 3 0 225.380 1.092 20 0 BDADRP Cc1cnccc1C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903979103 584833164 /nfs/dbraw/zinc/83/31/64/584833164.db2.gz VQOQYBCLMKCQNI-TZMCWYRMSA-N 2 0 233.359 1.725 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)C1 ZINC000903986416 584835508 /nfs/dbraw/zinc/83/55/08/584835508.db2.gz JFVIRNZTIXDQLG-LPWJVIDDSA-N 2 0 224.348 1.413 20 0 BDADRP CN(CCC[NH3+])C[C@H]([NH3+])CCC(C)(C)C ZINC000904299747 584860530 /nfs/dbraw/zinc/86/05/30/584860530.db2.gz NJCVCSJPEXMBOI-LLVKDONJSA-N 2 0 215.385 1.421 20 0 BDADRP C[C@H]1C[NH2+]CCN1C[C@@H]([NH3+])CCC(C)(C)C ZINC000904299859 584860572 /nfs/dbraw/zinc/86/05/72/584860572.db2.gz PSJBNUQMROVRDJ-RYUDHWBXSA-N 2 0 227.396 1.434 20 0 BDADRP CN(C[C@H]([NH3+])CCC(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000904299677 584860664 /nfs/dbraw/zinc/86/06/64/584860664.db2.gz LLDCJPHEHBTSQI-VXGBXAGGSA-N 2 0 227.396 1.434 20 0 BDADRP C[C@@]1(C[NH+]2CCC(C[NH3+])CC2)CCC[NH2+]C1 ZINC000904299825 584860711 /nfs/dbraw/zinc/86/07/11/584860711.db2.gz PGTQGYCHEKERBL-CYBMUJFWSA-N 3 0 225.380 1.047 20 0 BDADRP C[C@]1(C[N@@H+]2CCC[C@H](CO)C2)CCC[NH2+]C1 ZINC000904301555 584861133 /nfs/dbraw/zinc/86/11/33/584861133.db2.gz NRRORSCUCNEWEZ-STQMWFEESA-N 2 0 226.364 1.080 20 0 BDADRP C[N@H+](Cc1ccc(C[NH3+])cc1)CC(C)(C)C[NH3+] ZINC000904302379 584862345 /nfs/dbraw/zinc/86/23/45/584862345.db2.gz VEHKQVQHPGGJOC-UHFFFAOYSA-N 2 0 235.375 1.562 20 0 BDADRP C[C@H](O)C[C@H]1CCC[N@@H+]1C[C@@]1(C)CCC[NH2+]C1 ZINC000904321943 584864569 /nfs/dbraw/zinc/86/45/69/584864569.db2.gz KXNCWNHRFDHVNY-MJBXVCDLSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@H](O)C(C)(C)[NH2+]C[C@H]([NH3+])CCC(C)(C)C ZINC000904330080 584866251 /nfs/dbraw/zinc/86/62/51/584866251.db2.gz YLRWVBZAYZTLOC-WDEREUQCSA-N 2 0 230.396 1.889 20 0 BDADRP C[C@@]1(C[NH3+])CCN(C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904334547 584866376 /nfs/dbraw/zinc/86/63/76/584866376.db2.gz YYIXXENKXCWCBJ-QWHCGFSZSA-N 2 0 225.380 1.047 20 0 BDADRP CCN(CCCO)C[C@H]([NH3+])CCC(C)(C)C ZINC000904340751 584866508 /nfs/dbraw/zinc/86/65/08/584866508.db2.gz CFRRAJFPROTWHW-GFCCVEGCSA-N 2 0 230.396 1.844 20 0 BDADRP CC1([NH3+])CC[NH+](Cc2ccc(C[NH3+])cc2)CC1 ZINC000904334246 584866877 /nfs/dbraw/zinc/86/68/77/584866877.db2.gz QFSFBMQPRHRDNJ-UHFFFAOYSA-N 3 0 233.359 1.459 20 0 BDADRP NC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)C1CCCCC1 ZINC000904353215 584869874 /nfs/dbraw/zinc/86/98/74/584869874.db2.gz IRSXKTNFSWIKSL-KGYLQXTDSA-N 3 0 225.380 1.221 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000904354162 584870159 /nfs/dbraw/zinc/87/01/59/584870159.db2.gz BQWGAUMCYFPITL-VXGBXAGGSA-N 3 0 213.369 1.093 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@H]([NH3+])CCC(C)(C)C ZINC000904354750 584870847 /nfs/dbraw/zinc/87/08/47/584870847.db2.gz DVNYJYAEIHRKQW-XQQFMLRXSA-N 2 0 241.423 1.870 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CN[C@@H]1CCC[NH2+]CC1 ZINC000904356323 584871281 /nfs/dbraw/zinc/87/12/81/584871281.db2.gz VUGTWRJAQZOOPC-CHWSQXEVSA-N 2 0 241.423 1.872 20 0 BDADRP [NH3+]CC1CC([NH2+]C[C@H]2NCCc3ccccc32)C1 ZINC000904355647 584871317 /nfs/dbraw/zinc/87/13/17/584871317.db2.gz QFINKRICEKHBFI-ABIUDSBCSA-N 2 0 245.370 1.200 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]Cc1nccn1C1CC1 ZINC000904356000 584871399 /nfs/dbraw/zinc/87/13/99/584871399.db2.gz ZHXAZDHVIDEDNI-LLVKDONJSA-N 2 0 236.363 1.825 20 0 BDADRP Cc1ccccc1CC[NH2+]C1CC(C[NH3+])C1 ZINC000904360503 584871752 /nfs/dbraw/zinc/87/17/52/584871752.db2.gz MCTHNAORYKRICG-UHFFFAOYSA-N 2 0 218.344 1.864 20 0 BDADRP CC[NH+](CC)CCCNC[C@@]1(C)CCC[NH2+]C1 ZINC000904367763 584872879 /nfs/dbraw/zinc/87/28/79/584872879.db2.gz HZVDPYBRHPGEAL-AWEZNQCLSA-N 2 0 241.423 1.698 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)C1 ZINC000904372150 584873373 /nfs/dbraw/zinc/87/33/73/584873373.db2.gz YMFCSVGSZCGGEZ-PMOUVXMZSA-N 2 0 246.354 1.532 20 0 BDADRP C[C@@H]1CC2(C[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1)CCOCC2 ZINC000904374340 584873577 /nfs/dbraw/zinc/87/35/77/584873577.db2.gz QERSKGMGOONTJZ-UPJWGTAASA-N 2 0 238.375 1.615 20 0 BDADRP [NH3+]CCCCCC[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904373915 584873717 /nfs/dbraw/zinc/87/37/17/584873717.db2.gz LMJKWLTXDFEGEQ-UHFFFAOYSA-N 3 0 235.375 1.754 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NC[C@H]([NH3+])CCC(C)(C)C ZINC000904373874 584873992 /nfs/dbraw/zinc/87/39/92/584873992.db2.gz LAYNMIZTYOHNCD-QJPTWQEYSA-N 2 0 229.412 1.855 20 0 BDADRP C[NH+](C)C1CCC([NH2+]C2CC(C[NH3+])C2)CC1 ZINC000904372941 584874025 /nfs/dbraw/zinc/87/40/25/584874025.db2.gz KFAQYIHLCAZGQE-UHFFFAOYSA-N 3 0 225.380 1.186 20 0 BDADRP COc1cc(C[NH2+]C2CC(C[NH3+])C2)ccc1C ZINC000904363214 584874507 /nfs/dbraw/zinc/87/45/07/584874507.db2.gz YGKDLUOCOWYHRU-UHFFFAOYSA-N 2 0 234.343 1.831 20 0 BDADRP C[C@@H]1CCCC[C@H]1[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904363002 584874510 /nfs/dbraw/zinc/87/45/10/584874510.db2.gz VWWFGAHNINRYLA-TZMCWYRMSA-N 2 0 239.407 1.578 20 0 BDADRP COCc1cccc(C[NH2+]C[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000904364889 584874837 /nfs/dbraw/zinc/87/48/37/584874837.db2.gz SDBFUMMKOIBACE-OKILXGFUSA-N 2 0 234.343 1.660 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CCN1C[C@@H]([NH3+])CCC(C)(C)C ZINC000904375853 584875349 /nfs/dbraw/zinc/87/53/49/584875349.db2.gz HWYKBXPVIATTFO-UPJWGTAASA-N 2 0 241.423 1.952 20 0 BDADRP [NH3+]Cc1ccc(CN2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC000904380155 584876582 /nfs/dbraw/zinc/87/65/82/584876582.db2.gz JIZUDONORIAXLR-HUUCEWRRSA-N 2 0 245.370 1.459 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CN1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000904379815 584876739 /nfs/dbraw/zinc/87/67/39/584876739.db2.gz XZYZQSLBVGTYPW-IJLUTSLNSA-N 2 0 245.386 1.511 20 0 BDADRP [NH3+]Cc1ccc(CN2CCCCC[C@H]([NH3+])C2)cc1 ZINC000904380409 584876864 /nfs/dbraw/zinc/87/68/64/584876864.db2.gz BTAJSCXEGJNREN-HNNXBMFYSA-N 2 0 247.386 1.849 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccc(C[NH3+])cc2)C[C@H]1C[NH3+] ZINC000904385502 584877731 /nfs/dbraw/zinc/87/77/31/584877731.db2.gz ZQCBGIVUHYLTRM-BXUZGUMPSA-N 3 0 233.359 1.172 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@H]3CSC[C@@H]3C2)C1 ZINC000904385231 584877860 /nfs/dbraw/zinc/87/78/60/584877860.db2.gz VQDGRUBBFHWAKV-FIQHERPVSA-N 2 0 226.389 1.409 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cncs2)CC[C@@H]1C[NH3+] ZINC000904412568 584879793 /nfs/dbraw/zinc/87/97/93/584879793.db2.gz WMYBOELXWBZKAJ-NXEZZACHSA-N 2 0 225.361 1.560 20 0 BDADRP Cc1ccc(O)c(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)n1 ZINC000904412928 584879933 /nfs/dbraw/zinc/87/99/33/584879933.db2.gz ZKDVZUGUQGZCPL-JQWIXIFHSA-N 2 0 249.358 1.512 20 0 BDADRP Cn1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000904420768 584882011 /nfs/dbraw/zinc/88/20/11/584882011.db2.gz WOKWNOXSBORBDF-QWHCGFSZSA-N 2 0 219.332 1.066 20 0 BDADRP [NH3+]CCCCCCC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000834860876 584915196 /nfs/dbraw/zinc/91/51/96/584915196.db2.gz FEXGMJIKBMZPJY-VXGBXAGGSA-N 2 0 241.379 1.139 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C1CCC(C)(O)CC1 ZINC000817913807 584991309 /nfs/dbraw/zinc/99/13/09/584991309.db2.gz SWADAPKEYKFGFC-RJZJGCCBSA-N 2 0 240.391 1.658 20 0 BDADRP C[C@@H]1CCC[N@@H+]1CCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000817913697 584991409 /nfs/dbraw/zinc/99/14/09/584991409.db2.gz QUCNESMWVSAIAF-MCIONIFRSA-N 2 0 239.407 1.720 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)C2CC2)C[C@H]1C ZINC000838863814 585075814 /nfs/dbraw/zinc/07/58/14/585075814.db2.gz QCQZZJACCVALTD-XBFCOCLRSA-N 2 0 240.391 1.562 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)C2CC2)C[C@@H]1C ZINC000838863810 585075902 /nfs/dbraw/zinc/07/59/02/585075902.db2.gz QCQZZJACCVALTD-FPMFFAJLSA-N 2 0 240.391 1.562 20 0 BDADRP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@H](O)C3CC3)C2)C1 ZINC000839026049 585088078 /nfs/dbraw/zinc/08/80/78/585088078.db2.gz RNXXNXFRSPEMBB-KBPBESRZSA-N 2 0 238.375 1.175 20 0 BDADRP C[N@H+](CC1CC[NH+](C)CC1)CC1(C)COC1 ZINC000743849593 585140826 /nfs/dbraw/zinc/14/08/26/585140826.db2.gz VPNRBFXABZPLAI-UHFFFAOYSA-N 2 0 226.364 1.297 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@H]1C[C@@]12CCOC2 ZINC000886830504 585180700 /nfs/dbraw/zinc/18/07/00/585180700.db2.gz RSBXBIAZUVOMSC-FRRDWIJNSA-N 2 0 224.348 1.097 20 0 BDADRP CC[N@@H+]1C[C@@H](C)N(c2cc(C)[nH+]c(N)n2)C[C@H]1C ZINC000765640089 585491721 /nfs/dbraw/zinc/49/17/21/585491721.db2.gz GSMNZDIBPFDAMG-GHMZBOCLSA-N 2 0 249.362 1.286 20 0 BDADRP CC[N@@H+]1C[C@H](C)N(CC[NH+]2CCCC2)C[C@@H]1C ZINC000766254400 585499394 /nfs/dbraw/zinc/49/93/94/585499394.db2.gz QAAQCXOZTDBHST-KBPBESRZSA-N 2 0 239.407 1.497 20 0 BDADRP C[NH+](C)CC1CC[NH+](CCC(=O)C2CC2)CC1 ZINC000767349850 585517188 /nfs/dbraw/zinc/51/71/88/585517188.db2.gz ZRHYSQYQIWILQF-UHFFFAOYSA-N 2 0 238.375 1.629 20 0 BDADRP C[NH+]1CCC(O)(C[NH2+]C2CC(C(F)F)C2)CC1 ZINC000769520184 585558716 /nfs/dbraw/zinc/55/87/16/585558716.db2.gz SVFOYPDPSFDLOK-UHFFFAOYSA-N 2 0 248.317 1.076 20 0 BDADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)CCO)C1 ZINC000779346094 585752240 /nfs/dbraw/zinc/75/22/40/585752240.db2.gz UHNSWFLGDFINJL-QWHCGFSZSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@@H]1CC[C@@H](C)C1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000794605233 586045579 /nfs/dbraw/zinc/04/55/79/586045579.db2.gz RPWQJCXWGYPYDI-UPJWGTAASA-N 2 0 240.391 1.467 20 0 BDADRP COC1CC(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000859314242 589030181 /nfs/dbraw/zinc/03/01/81/589030181.db2.gz HIJXSLJPRWSZOR-RUXDESIVSA-N 2 0 238.375 1.439 20 0 BDADRP CC[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000795118123 586069041 /nfs/dbraw/zinc/06/90/41/586069041.db2.gz ZXTFSQIWYMOOPD-NSHDSACASA-N 2 0 205.305 1.612 20 0 BDADRP Cc1cc(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)nc(N)[nH+]1 ZINC000811811437 586567223 /nfs/dbraw/zinc/56/72/23/586567223.db2.gz BVKJUAUVGGCPCP-UWVGGRQHSA-N 2 0 247.346 1.404 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCOc1cccnc1 ZINC000817891827 586831858 /nfs/dbraw/zinc/83/18/58/586831858.db2.gz HPVDKHYASUEZOD-MNOVXSKESA-N 2 0 223.320 1.176 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H](O)c1ccccc1 ZINC000817894322 586833584 /nfs/dbraw/zinc/83/35/84/586833584.db2.gz LLAKNQKJQUSKQS-GMXVVIOVSA-N 2 0 222.332 1.435 20 0 BDADRP Cc1ncc2c(n1)CCC[C@@H]2[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000817894761 586833814 /nfs/dbraw/zinc/83/38/14/586833814.db2.gz OARNFQDCTHIGMK-KWBADKCTSA-N 2 0 248.374 1.878 20 0 BDADRP CSCC[C@@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000817896625 586835289 /nfs/dbraw/zinc/83/52/89/586835289.db2.gz MKOBGKNOAKEIGD-MXWKQRLJSA-N 2 0 216.394 1.858 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCc1ccc(Cl)nc1 ZINC000817902298 586836181 /nfs/dbraw/zinc/83/61/81/586836181.db2.gz MUMQQADOZOMEAO-UWVGGRQHSA-N 2 0 241.766 1.993 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCc1ccc(Cl)nc1 ZINC000817902283 586836214 /nfs/dbraw/zinc/83/62/14/586836214.db2.gz MGWGVXCRMFCFIR-WDEREUQCSA-N 2 0 239.750 1.747 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCNc1ccccc1 ZINC000817901953 586836445 /nfs/dbraw/zinc/83/64/45/586836445.db2.gz ZXHWQUMTVHPZMX-OCCSQVGLSA-N 2 0 233.359 1.816 20 0 BDADRP C[C@H]1CCC[N@@H+]1CCN[C@@H]1C[NH2+]CC[C@H]1C ZINC000817912271 586838267 /nfs/dbraw/zinc/83/82/67/586838267.db2.gz FTLFXAUBJNLQTB-FRRDWIJNSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@H](NCC[N@@H+]1CCC[C@@H]1C)[C@H]1CCCC[NH2+]1 ZINC000817912789 586838376 /nfs/dbraw/zinc/83/83/76/586838376.db2.gz IONVZQXFYKGTBY-MELADBBJSA-N 2 0 239.407 1.591 20 0 BDADRP Cc1cccc([C@H](O)C[NH2+][C@@H](C)C[C@H](C)[NH3+])c1 ZINC000817909971 586838623 /nfs/dbraw/zinc/83/86/23/586838623.db2.gz FSGIDGNKZCWQTF-SGMGOOAPSA-N 2 0 236.359 1.744 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NCC[N@@H+]1CCC[C@H]1C ZINC000817914429 586839154 /nfs/dbraw/zinc/83/91/54/586839154.db2.gz XGAOJDJQCFIIQM-SDDRHHMPSA-N 2 0 213.369 1.186 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCCCCO ZINC000817918044 586840425 /nfs/dbraw/zinc/84/04/25/586840425.db2.gz GMYFBUQSYUZSLR-STQMWFEESA-N 2 0 228.380 1.517 20 0 BDADRP C[C@H]([NH2+]C[C@]1(O)CCc2ccccc21)C1C[NH2+]C1 ZINC000817918519 586840662 /nfs/dbraw/zinc/84/06/62/586840662.db2.gz VLTXQBJERCJMRY-XHDPSFHLSA-N 2 0 246.354 1.018 20 0 BDADRP CC1(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])OCCCO1 ZINC000817926901 586840873 /nfs/dbraw/zinc/84/08/73/586840873.db2.gz WAYQYIHPIWVRLS-RYUDHWBXSA-N 2 0 242.363 1.247 20 0 BDADRP CC1(C[NH2+]C2CCC(C[NH3+])CC2)OCCCO1 ZINC000817926228 586840950 /nfs/dbraw/zinc/84/09/50/586840950.db2.gz BDKJULJWUSBTOQ-UHFFFAOYSA-N 2 0 242.363 1.247 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CCC=CO1 ZINC000817924718 586841308 /nfs/dbraw/zinc/84/13/08/586841308.db2.gz VGVGKNHYVAFIOT-XQQFMLRXSA-N 2 0 224.348 1.929 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccnc1F ZINC000817926842 586841334 /nfs/dbraw/zinc/84/13/34/586841334.db2.gz AUKKLDYREVSMEA-CMPLNLGQSA-N 2 0 237.322 1.828 20 0 BDADRP Cc1ccc([C@@H](O)C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000817926668 586841482 /nfs/dbraw/zinc/84/14/82/586841482.db2.gz RBFMTAFRCZXUAQ-BZPMIXESSA-N 2 0 236.359 1.744 20 0 BDADRP C[C@@H]([NH2+][C@@H](CCO)Cc1ccccc1)C1C[NH2+]C1 ZINC000817927369 586841665 /nfs/dbraw/zinc/84/16/65/586841665.db2.gz FPQLNQSKCKOCSR-DOMZBBRYSA-N 2 0 248.370 1.178 20 0 BDADRP C[C@H]([NH2+]C[C@]1(C)CC1(Cl)Cl)C1C[NH2+]C1 ZINC000817935698 586843829 /nfs/dbraw/zinc/84/38/29/586843829.db2.gz DAPZERNYPLYUNQ-CBAPKCEASA-N 2 0 237.174 1.768 20 0 BDADRP c1[nH]nc2c1[C@H]([NH2+][C@H]1CCC[NH2+]CC1)CCC2 ZINC000817969576 586856570 /nfs/dbraw/zinc/85/65/70/586856570.db2.gz XNONIJHGGMOTCW-CMPLNLGQSA-N 2 0 234.347 1.519 20 0 BDADRP C[C@@](C[NH3+])(NC(=O)c1cccc(C[NH3+])c1)C1CC1 ZINC000818554555 586900266 /nfs/dbraw/zinc/90/02/66/586900266.db2.gz WKSYFRDTBWUNKH-AWEZNQCLSA-N 2 0 247.342 1.003 20 0 BDADRP CC[NH+]1CCC(C[NH2+]C[C@@H](O)C2CC2)CC1 ZINC000818975073 586918876 /nfs/dbraw/zinc/91/88/76/586918876.db2.gz RUKZFGOMVCRUCK-CYBMUJFWSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H]([NH2+]CCO)c1cccc(C[NH+](C)C)c1 ZINC000820805895 587073499 /nfs/dbraw/zinc/07/34/99/587073499.db2.gz URVGREFEWJNEKS-LLVKDONJSA-N 2 0 222.332 1.391 20 0 BDADRP C[C@@H]1CN(C(=O)CCCCCC[NH3+])CC[C@@H]1[NH3+] ZINC000832737420 587681378 /nfs/dbraw/zinc/68/13/78/587681378.db2.gz UXBJNLLUOOIGCD-NEPJUHHUSA-N 2 0 241.379 1.091 20 0 BDADRP CCCCCC[N@H+](C)CC(=O)NC[C@@H](C)C[NH3+] ZINC000834340780 587752718 /nfs/dbraw/zinc/75/27/18/587752718.db2.gz CMKKPNVPKOZSTK-LBPRGKRZSA-N 2 0 243.395 1.210 20 0 BDADRP C[C@H](CCCC[NH3+])NC(=O)c1cccc(C[NH3+])c1 ZINC000834785488 587767038 /nfs/dbraw/zinc/76/70/38/587767038.db2.gz CPKWZVKUIPOSMA-LLVKDONJSA-N 2 0 249.358 1.393 20 0 BDADRP [NH3+]CCCCCCC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000834860874 587768879 /nfs/dbraw/zinc/76/88/79/587768879.db2.gz FEXGMJIKBMZPJY-RYUDHWBXSA-N 2 0 241.379 1.139 20 0 BDADRP CC[NH+](CC)CCC[NH2+]C[C@H](O)C1CC1 ZINC000840733294 587918477 /nfs/dbraw/zinc/91/84/77/587918477.db2.gz PUIJQXKPKTXISG-LBPRGKRZSA-N 2 0 214.353 1.079 20 0 BDADRP C[N@H+](CCC[NH3+])CCOc1cccc(F)c1 ZINC000841007056 587934655 /nfs/dbraw/zinc/93/46/55/587934655.db2.gz KKPOHVKXQSKHGQ-UHFFFAOYSA-N 2 0 226.295 1.485 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000841042650 587935021 /nfs/dbraw/zinc/93/50/21/587935021.db2.gz OMNAUTFPNWHXCB-VWYCJHECSA-N 2 0 246.445 1.565 20 0 BDADRP C[C@@H](CC[NH3+])[NH2+]Cc1ccc(Cl)nc1 ZINC000841049603 587939701 /nfs/dbraw/zinc/93/97/01/587939701.db2.gz FVHAIWZYOMHKCU-QMMMGPOBSA-N 2 0 213.712 1.562 20 0 BDADRP Cc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cn1 ZINC000841080306 587945009 /nfs/dbraw/zinc/94/50/09/587945009.db2.gz RJQXYKKULFLSPP-CYBMUJFWSA-N 2 0 231.343 1.622 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+][C@H]2CC[NH2+]C2(C)C)CCO1 ZINC000841086627 587945686 /nfs/dbraw/zinc/94/56/86/587945686.db2.gz OSUSFAQJSDLLHZ-WOPDTQHZSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[NH2+]C2(C)C)CCO1 ZINC000841086621 587945988 /nfs/dbraw/zinc/94/59/88/587945988.db2.gz OSUSFAQJSDLLHZ-IJLUTSLNSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@@H]1CN(C(=O)CCCCCC[NH3+])[C@H](C)C[NH2+]1 ZINC000841849199 587977722 /nfs/dbraw/zinc/97/77/22/587977722.db2.gz BDYJILINOPUBTP-VXGBXAGGSA-N 2 0 241.379 1.104 20 0 BDADRP [NH3+]Cc1cccc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000841850723 587978359 /nfs/dbraw/zinc/97/83/59/587978359.db2.gz FGXXEJAGQPCJHL-CHWSQXEVSA-N 2 0 247.342 1.145 20 0 BDADRP CNC(=O)[C@H](C)C[N@H+](C)CCCCCCC[NH3+] ZINC000842473325 588028944 /nfs/dbraw/zinc/02/89/44/588028944.db2.gz VGWRJEGSQCUGIR-GFCCVEGCSA-N 2 0 243.395 1.210 20 0 BDADRP C[C@@H]1CN[C@@H](C)C[N@@H+]1CCCCCCC[NH3+] ZINC000842473912 588029036 /nfs/dbraw/zinc/02/90/36/588029036.db2.gz RZFMULWJROFSMV-QWHCGFSZSA-N 2 0 227.396 1.578 20 0 BDADRP [NH3+]CCCCCCCN1CC[C@]2(CCC[NH2+]2)C1 ZINC000842477325 588029772 /nfs/dbraw/zinc/02/97/72/588029772.db2.gz PJTIHKYKRYFQAM-CQSZACIVSA-N 2 0 239.407 1.724 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+]CCCCCCC[NH3+] ZINC000842478730 588029780 /nfs/dbraw/zinc/02/97/80/588029780.db2.gz OAYHGVVUWURMPC-CYBMUJFWSA-N 2 0 238.379 1.770 20 0 BDADRP C[C@@H]1C[N@H+](CCCCCCC[NH3+])[C@H](C)CN1C ZINC000842476918 588029858 /nfs/dbraw/zinc/02/98/58/588029858.db2.gz XBTAFWUMHLZARX-ZIAGYGMSSA-N 2 0 241.423 1.920 20 0 BDADRP [NH3+][C@H](Cc1nc(C2([NH3+])CCCC2)no1)C1CC1 ZINC000842590863 588045138 /nfs/dbraw/zinc/04/51/38/588045138.db2.gz YLLMEXNXBCJZEG-SECBINFHSA-N 2 0 236.319 1.077 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2ccc3c(c2)COC3)CC1 ZINC000843046941 588075662 /nfs/dbraw/zinc/07/56/62/588075662.db2.gz ANRXNDMNNIYQPT-UHFFFAOYSA-N 2 0 246.354 1.888 20 0 BDADRP CC(C)([NH3+])C[N@@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000843067704 588078573 /nfs/dbraw/zinc/07/85/73/588078573.db2.gz HJBDDHZNABKVSR-NSHDSACASA-N 2 0 242.363 1.199 20 0 BDADRP CC(C)([NH3+])CNc1ccc(OCC[NH3+])cc1 ZINC000843126344 588081988 /nfs/dbraw/zinc/08/19/88/588081988.db2.gz OEWJXXLGPFZJPS-UHFFFAOYSA-N 2 0 223.320 1.173 20 0 BDADRP CCOC[C@H](C)[NH2+]CCCCCC[NH3+] ZINC000843127359 588085094 /nfs/dbraw/zinc/08/50/94/588085094.db2.gz OBOGHBFQEFOLKA-NSHDSACASA-N 2 0 202.342 1.520 20 0 BDADRP CC[C@H]([NH2+]CCCCCC[NH3+])c1ccn(C)n1 ZINC000843342240 588100874 /nfs/dbraw/zinc/10/08/74/588100874.db2.gz OUBILCOYQLRTAJ-LBPRGKRZSA-N 2 0 238.379 1.980 20 0 BDADRP CC[C@@H]([NH2+]CCCCCC[NH3+])c1ccn(C)n1 ZINC000843342238 588101084 /nfs/dbraw/zinc/10/10/84/588101084.db2.gz OUBILCOYQLRTAJ-GFCCVEGCSA-N 2 0 238.379 1.980 20 0 BDADRP C[C@H]([NH2+]CCCCCC[NH3+])[C@@H]1CCC[NH2+]1 ZINC000843343680 588101650 /nfs/dbraw/zinc/10/16/50/588101650.db2.gz CUAUAWJLSIMVAO-RYUDHWBXSA-N 3 0 213.369 1.236 20 0 BDADRP C[C@H]([NH2+]CCCCCC[NH3+])[C@H]1CCC[NH2+]1 ZINC000843343679 588101368 /nfs/dbraw/zinc/10/13/68/588101368.db2.gz CUAUAWJLSIMVAO-NWDGAFQWSA-N 3 0 213.369 1.236 20 0 BDADRP [NH3+]CCCCCCC[N@@H+]1CCC[NH2+]CC1 ZINC000843345187 588101849 /nfs/dbraw/zinc/10/18/49/588101849.db2.gz YUCXIZMBMLVLLS-UHFFFAOYSA-N 3 0 213.369 1.191 20 0 BDADRP C[C@@H]1C[NH2+]CCN1CCCCCCC[NH3+] ZINC000843347313 588101982 /nfs/dbraw/zinc/10/19/82/588101982.db2.gz QKARBDVIQOWTKK-GFCCVEGCSA-N 2 0 213.369 1.189 20 0 BDADRP C[C@@H]1CCC[N@H+](CCCCCCC[NH3+])[C@@H]1CN ZINC000843350893 588102630 /nfs/dbraw/zinc/10/26/30/588102630.db2.gz ATHNCCSUPUYYTF-ZIAGYGMSSA-N 2 0 241.423 1.955 20 0 BDADRP CN(CCCCCCC[NH3+])[C@H]1CC[NH2+]C1 ZINC000843351085 588102647 /nfs/dbraw/zinc/10/26/47/588102647.db2.gz DQUJBKQYIRQZJX-LBPRGKRZSA-N 2 0 213.369 1.189 20 0 BDADRP CCCOC(=O)[C@@H](C)N1CCCC[C@@H]1CC[NH3+] ZINC000843384370 588105665 /nfs/dbraw/zinc/10/56/65/588105665.db2.gz OCQGTPIGBJZGMB-VXGBXAGGSA-N 2 0 242.363 1.531 20 0 BDADRP CCCOC(=O)[C@@H](C)N1CCCC[C@H]1CC[NH3+] ZINC000843384367 588105764 /nfs/dbraw/zinc/10/57/64/588105764.db2.gz OCQGTPIGBJZGMB-NEPJUHHUSA-N 2 0 242.363 1.531 20 0 BDADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCCCCC[NH3+] ZINC000844200061 588173473 /nfs/dbraw/zinc/17/34/73/588173473.db2.gz HBHXKCNUVQWPEC-LBPRGKRZSA-N 2 0 241.379 1.106 20 0 BDADRP Cn1cc(C[NH2+]CCC2CC[NH+](C)CC2)cn1 ZINC000105454668 588173669 /nfs/dbraw/zinc/17/36/69/588173669.db2.gz DAGOHZMTTBNZGK-UHFFFAOYSA-N 2 0 236.363 1.242 20 0 BDADRP CC[N@H+](CCc1ccccn1)C[C@@H]1CC[NH2+]C1 ZINC000844221818 588174091 /nfs/dbraw/zinc/17/40/91/588174091.db2.gz MHTLNGREVRGLBJ-CYBMUJFWSA-N 2 0 233.359 1.556 20 0 BDADRP CC(C)[C@H]([NH3+])c1noc(C[C@H](C)n2ccnc2)n1 ZINC000844906663 588219073 /nfs/dbraw/zinc/21/90/73/588219073.db2.gz RMNZFMXCPMFOIY-ONGXEEELSA-N 2 0 249.318 1.726 20 0 BDADRP C[C@@](CN)([NH2+]CCCCCC[NH3+])C1CC1 ZINC000846217366 588260441 /nfs/dbraw/zinc/26/04/41/588260441.db2.gz FPGSXZGBEZRSRB-LBPRGKRZSA-N 2 0 213.369 1.223 20 0 BDADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCCCCC[NH3+] ZINC000846217200 588260570 /nfs/dbraw/zinc/26/05/70/588260570.db2.gz CMQWKYOHHVWUSY-ZDUSSCGKSA-N 2 0 229.412 1.811 20 0 BDADRP NC(=O)C[C@H]1CCC[N@H+](CCCCCC[NH3+])C1 ZINC000846218969 588260783 /nfs/dbraw/zinc/26/07/83/588260783.db2.gz AVLQTCNNCOFCHK-GFCCVEGCSA-N 2 0 241.379 1.093 20 0 BDADRP NC(=O)C[C@@H]1CCC[N@H+](CCCCCC[NH3+])C1 ZINC000846218970 588260943 /nfs/dbraw/zinc/26/09/43/588260943.db2.gz AVLQTCNNCOFCHK-LBPRGKRZSA-N 2 0 241.379 1.093 20 0 BDADRP CCC[C@H]1CNCC[N@@H+]1CCCCCC[NH3+] ZINC000846220206 588260988 /nfs/dbraw/zinc/26/09/88/588260988.db2.gz KPWJWOKRVYONIZ-ZDUSSCGKSA-N 2 0 227.396 1.579 20 0 BDADRP CCN1C[C@@H](C)[N@H+](CCCCCC[NH3+])C[C@@H]1C ZINC000846221266 588261351 /nfs/dbraw/zinc/26/13/51/588261351.db2.gz VWRWDUPLYANRQS-UONOGXRCSA-N 2 0 241.423 1.920 20 0 BDADRP [NH3+]CCCCCCC[N@@H+]1CCC[C@@H](O)C1 ZINC000846226215 588261614 /nfs/dbraw/zinc/26/16/14/588261614.db2.gz KLKTZAGRHSHSQD-GFCCVEGCSA-N 2 0 214.353 1.352 20 0 BDADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CCF)C2)C1 ZINC000846224773 588261680 /nfs/dbraw/zinc/26/16/80/588261680.db2.gz DFOXRSWUQNQLNK-QJPTWQEYSA-N 2 0 230.327 1.174 20 0 BDADRP C[C@H]1CCC[N@H+](CCCCCC[NH3+])[C@H]1CC[NH3+] ZINC000846226404 588261715 /nfs/dbraw/zinc/26/17/15/588261715.db2.gz MPPFAZFWFACWSP-KBPBESRZSA-N 3 0 241.423 1.955 20 0 BDADRP [NH3+]CCCCCCN1CC2CCC1(C[NH3+])CC2 ZINC000848601498 588401498 /nfs/dbraw/zinc/40/14/98/588401498.db2.gz ZDAIFFQRQBOVOW-UHFFFAOYSA-N 2 0 239.407 1.709 20 0 BDADRP CC(C)(O)C[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000848668753 588404642 /nfs/dbraw/zinc/40/46/42/588404642.db2.gz SMDAEOIKNCSUEG-NEPJUHHUSA-N 2 0 226.364 1.364 20 0 BDADRP Cc1ccc([C@@H](O)C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000848722719 588408870 /nfs/dbraw/zinc/40/88/70/588408870.db2.gz PUTRIVXEOOFGNB-KFWWJZLASA-N 2 0 248.370 1.888 20 0 BDADRP CC(C)[NH+](CCNC(=[NH2+])NC1CCC1)C(C)C ZINC000848980885 588423596 /nfs/dbraw/zinc/42/35/96/588423596.db2.gz DCLRQXIAFKTOFT-UHFFFAOYSA-N 2 0 240.395 1.772 20 0 BDADRP CCC(CC)[C@@H](CNC(=[NH2+])NC)[NH+]1CCCC1 ZINC000848984067 588424831 /nfs/dbraw/zinc/42/48/31/588424831.db2.gz KAWWTSHKUSQBAK-GFCCVEGCSA-N 2 0 240.395 1.631 20 0 BDADRP CC(C)C[C@H](CNC(=[NH2+])NC1CCC1)[NH+](C)C ZINC000848983951 588425005 /nfs/dbraw/zinc/42/50/05/588425005.db2.gz YMGZRGOVSSHRRP-GFCCVEGCSA-N 2 0 240.395 1.629 20 0 BDADRP CC(C)[N@H+](C)CCCNC(=[NH2+])N1CCCCC1 ZINC000848987512 588426024 /nfs/dbraw/zinc/42/60/24/588426024.db2.gz CIVIWBUCYMNQGA-UHFFFAOYSA-N 2 0 240.395 1.727 20 0 BDADRP CCCCNC(=[NH2+])NCCC[N@H+](C)C(C)C ZINC000848987583 588426269 /nfs/dbraw/zinc/42/62/69/588426269.db2.gz IUPGKAZVSQPODT-UHFFFAOYSA-N 2 0 228.384 1.631 20 0 BDADRP CCNC(=[NH2+])NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000848988165 588426478 /nfs/dbraw/zinc/42/64/78/588426478.db2.gz JRYSUNOIYSLUCU-RYUDHWBXSA-N 2 0 240.395 1.488 20 0 BDADRP CCNC(=[NH2+])NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000848989604 588426765 /nfs/dbraw/zinc/42/67/65/588426765.db2.gz ZPMDIOAUAYUBGY-GFCCVEGCSA-N 2 0 240.395 1.632 20 0 BDADRP C[C@H](CNC(=[NH2+])N1CCC1)[NH+]1CCCCC1 ZINC000848995522 588428524 /nfs/dbraw/zinc/42/85/24/588428524.db2.gz OHCJJTKHUFPVQS-LLVKDONJSA-N 2 0 224.352 1.091 20 0 BDADRP CCC[NH+]1CCC(CNC(=[NH2+])NCC)CC1 ZINC000848996289 588429310 /nfs/dbraw/zinc/42/93/10/588429310.db2.gz RBOBUFOWIKLLNQ-UHFFFAOYSA-N 2 0 226.368 1.242 20 0 BDADRP CC[C@@H](C)NC(=[NH2+])NCC[N@H+](C)[C@H](C)CC ZINC000849000979 588430749 /nfs/dbraw/zinc/43/07/49/588430749.db2.gz KRAUVPAJIOJJRL-GHMZBOCLSA-N 2 0 228.384 1.629 20 0 BDADRP CC[C@H](C)NC(=[NH2+])NC[C@@H](C)[N@H+](C)C1CC1 ZINC000849001604 588431011 /nfs/dbraw/zinc/43/10/11/588431011.db2.gz HRIJNOJJMROISW-VHSXEESVSA-N 2 0 226.368 1.382 20 0 BDADRP CC(C)NC(=[NH2+])NCC1CC[NH+](C2CC2)CC1 ZINC000849022940 588439461 /nfs/dbraw/zinc/43/94/61/588439461.db2.gz VMHBJXJFPHEIOL-UHFFFAOYSA-N 2 0 238.379 1.383 20 0 BDADRP [NH2+]=C(NCCCCC[NH+]1CCCC1)NC1CC1 ZINC000849033173 588443836 /nfs/dbraw/zinc/44/38/36/588443836.db2.gz DNUWKKVVOYYYDX-UHFFFAOYSA-N 2 0 238.379 1.529 20 0 BDADRP CC[C@@H](C)NC(=[NH2+])NCC[N@@H+]1CCCC1(C)C ZINC000849039303 588446871 /nfs/dbraw/zinc/44/68/71/588446871.db2.gz REWIYKYGFSRHDE-LLVKDONJSA-N 2 0 240.395 1.773 20 0 BDADRP CC(C)[C@@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000108324326 588460706 /nfs/dbraw/zinc/46/07/06/588460706.db2.gz GZYFNWQUVTYFCN-QWHCGFSZSA-N 2 0 210.365 1.964 20 0 BDADRP C[C@H]1CCCN1CC[NH2+][C@H]1COC2(CCC2)C1 ZINC000850439287 588546404 /nfs/dbraw/zinc/54/64/04/588546404.db2.gz MNLJKPPSVPXTQQ-QWHCGFSZSA-N 2 0 238.375 1.772 20 0 BDADRP C[C@@H](CCO)[NH2+]C[C@@H]1CCN1C(C)(C)C ZINC000850482241 588547408 /nfs/dbraw/zinc/54/74/08/588547408.db2.gz QWLFUBLNPLXYAC-QWRGUYRKSA-N 2 0 214.353 1.220 20 0 BDADRP COC(=O)[C@H]1C[C@@H]([N@H+](C)CCCCCC[NH3+])C1 ZINC000852760136 588700653 /nfs/dbraw/zinc/70/06/53/588700653.db2.gz AZRJYSHLOXRTRK-TXEJJXNPSA-N 2 0 242.363 1.389 20 0 BDADRP Cc1c(C[NH2+]CC2=CC[N@H+](C)CC2)ccnc1F ZINC000862293814 589200300 /nfs/dbraw/zinc/20/03/00/589200300.db2.gz QKZXKJWHFLQIKU-UHFFFAOYSA-N 2 0 249.333 1.881 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCO[C@H](CC)C1 ZINC000863482080 589292506 /nfs/dbraw/zinc/29/25/06/589292506.db2.gz RPVSJLPPUJFTSJ-YIYPIFLZSA-N 2 0 240.391 1.922 20 0 BDADRP CC[C@@H]1C[C@@H](C[NH2+]CCOCCC[NH3+])CCO1 ZINC000863486135 589293362 /nfs/dbraw/zinc/29/33/62/589293362.db2.gz DZIIFAFMZIARPM-QWHCGFSZSA-N 2 0 244.379 1.147 20 0 BDADRP [NH3+]C1(C[NH2+][C@@H]2CC[C@H]2C2CC2)CCOCC1 ZINC000863541308 589297260 /nfs/dbraw/zinc/29/72/60/589297260.db2.gz KGWCZDUBZJPUDO-NWDGAFQWSA-N 2 0 224.348 1.273 20 0 BDADRP [NH3+]CCCOCC[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000863547012 589297720 /nfs/dbraw/zinc/29/77/20/589297720.db2.gz NQXRTDTWDBLEGQ-NWDGAFQWSA-N 2 0 212.337 1.130 20 0 BDADRP C[C@@H]([NH3+])CN(C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000863567463 589299529 /nfs/dbraw/zinc/29/95/29/589299529.db2.gz FHFQMLWSOHAKPT-LLVKDONJSA-N 2 0 233.359 1.111 20 0 BDADRP CC[N@@H+]1CC[C@@H](CNC(=[NH2+])NCCC2CC2)C1 ZINC000864451264 589364618 /nfs/dbraw/zinc/36/46/18/589364618.db2.gz GQIUJWIOSSODOR-LBPRGKRZSA-N 2 0 238.379 1.242 20 0 BDADRP C[C@@H]1C[C@@H]1NC(=[NH2+])NCC[C@@H]1CCC[N@H+](C)C1 ZINC000864465774 589371022 /nfs/dbraw/zinc/37/10/22/589371022.db2.gz COJBIPKKKKRKJT-WOPDTQHZSA-N 2 0 238.379 1.241 20 0 BDADRP CC(C)C[N@H+](C)CCCNC(=[NH2+])N[C@@H]1C[C@@H]1C ZINC000864468837 589372439 /nfs/dbraw/zinc/37/24/39/589372439.db2.gz JHHORLZXMIAELS-NWDGAFQWSA-N 2 0 240.395 1.487 20 0 BDADRP C[N@@H+]1CC[C@@H]2CN(c3cc[nH+]c(CO)c3)CC[C@H]21 ZINC000866208964 589480724 /nfs/dbraw/zinc/48/07/24/589480724.db2.gz MCFQAXQLYLPDSV-BXUZGUMPSA-N 2 0 247.342 1.104 20 0 BDADRP C[C@@H](CCc1cccnc1)[NH2+]CCC[NH+](C)C ZINC000866214113 589481003 /nfs/dbraw/zinc/48/10/03/589481003.db2.gz JBFGIEXXIFELLW-ZDUSSCGKSA-N 2 0 235.375 1.944 20 0 BDADRP Nc1ccc2c(c1)OCCN(C[C@@H]1CC[NH2+]C1)C2 ZINC000866689180 589512187 /nfs/dbraw/zinc/51/21/87/589512187.db2.gz FZIQDPAZLGPMGV-LLVKDONJSA-N 2 0 247.342 1.073 20 0 BDADRP [NH3+]CCC[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000866697753 589512563 /nfs/dbraw/zinc/51/25/63/589512563.db2.gz XXBLKELUOLBVLO-CYBMUJFWSA-N 2 0 226.364 1.759 20 0 BDADRP C[NH2+]CCC[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000866703749 589513301 /nfs/dbraw/zinc/51/33/01/589513301.db2.gz LQEWNJLAVGMTNW-GHMZBOCLSA-N 2 0 214.378 1.281 20 0 BDADRP C([C@H]1CC[NH2+]C1)[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000866704822 589514115 /nfs/dbraw/zinc/51/41/15/589514115.db2.gz YDSIRIUSPOGDQB-SDDRHHMPSA-N 2 0 226.389 1.281 20 0 BDADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](C[C@H]2CCOC2)C1 ZINC000866707192 589514390 /nfs/dbraw/zinc/51/43/90/589514390.db2.gz SYZIWFPUEFUQEZ-OCCSQVGLSA-N 2 0 240.391 1.720 20 0 BDADRP C[C@@H]([NH3+])C(=O)N1c2ccccc2[C@@H]([NH3+])C1(C)C ZINC000867992156 589542570 /nfs/dbraw/zinc/54/25/70/589542570.db2.gz XSYKGNWYAXKCGX-LDYMZIIASA-N 2 0 233.315 1.159 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1c1nc(C2([NH3+])CCC2)no1 ZINC000871786406 589818365 /nfs/dbraw/zinc/81/83/65/589818365.db2.gz AWDJBVHKJSCKSS-JGVFFNPUSA-N 2 0 236.319 1.248 20 0 BDADRP COCCON=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871784337 589818480 /nfs/dbraw/zinc/81/84/80/589818480.db2.gz ASEOKGKFRGTYRU-FGWVZKOKSA-N 2 0 241.335 1.004 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000872141871 589882532 /nfs/dbraw/zinc/88/25/32/589882532.db2.gz XJHWUSKGPVEATO-QWHCGFSZSA-N 2 0 238.375 1.616 20 0 BDADRP Cc1csc([C@@H]2CC[N@H+](CCC[NH3+])C2)n1 ZINC000872150042 589885527 /nfs/dbraw/zinc/88/55/27/589885527.db2.gz XLZQQFVOQAMMRA-SNVBAGLBSA-N 2 0 225.361 1.590 20 0 BDADRP COC(=O)CC[C@H]1CCC[N@H+](CCC[NH3+])C1 ZINC000872154792 589886027 /nfs/dbraw/zinc/88/60/27/589886027.db2.gz ZDZVITBMZWQFCG-LLVKDONJSA-N 2 0 228.336 1.000 20 0 BDADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCCCCCC[NH3+])C2 ZINC000872154500 589886339 /nfs/dbraw/zinc/88/63/39/589886339.db2.gz VTOBSHVMTMGZST-UONOGXRCSA-N 3 0 239.407 1.437 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CCCOC2)C1 ZINC000872250915 589900406 /nfs/dbraw/zinc/90/04/06/589900406.db2.gz DTBMGGZYWORNNG-NWDGAFQWSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H](C[NH3+])NCc1ccc(OC(F)F)cc1 ZINC000124295109 589973332 /nfs/dbraw/zinc/97/33/32/589973332.db2.gz QDJHMXKRGAQSJC-QMMMGPOBSA-N 2 0 230.258 1.725 20 0 BDADRP C[C@H]1CCCN(Cc2cnc(N)cn2)[C@H]1CC[NH3+] ZINC000873213564 589996947 /nfs/dbraw/zinc/99/69/47/589996947.db2.gz HTDIMQYGWIQZHT-JQWIXIFHSA-N 2 0 249.362 1.008 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C1 ZINC000873216966 589997873 /nfs/dbraw/zinc/99/78/73/589997873.db2.gz ZIISKODLKVFSMT-OADPDTJPSA-N 2 0 245.370 1.911 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C1 ZINC000873216965 589998394 /nfs/dbraw/zinc/99/83/94/589998394.db2.gz ZIISKODLKVFSMT-FBUXBERBSA-N 2 0 245.370 1.911 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873220359 589998862 /nfs/dbraw/zinc/99/88/62/589998862.db2.gz LHNUADRYMGTCCQ-DGCLKSJQSA-N 3 0 227.396 1.338 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCO[C@@H]1C)C1CC[NH2+]CC1 ZINC000873221579 589999485 /nfs/dbraw/zinc/99/94/85/589999485.db2.gz XXWCFBGTLKHSPY-CKYFFXLPSA-N 2 0 212.337 1.142 20 0 BDADRP C[C@H]([NH2+]Cc1ccc(N)nc1)C1CC[NH2+]CC1 ZINC000873222330 589999533 /nfs/dbraw/zinc/99/95/33/589999533.db2.gz MYYUXDMQEQQTCV-JTQLQIEISA-N 2 0 234.347 1.142 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)c1ccnn1C ZINC000873224182 590000491 /nfs/dbraw/zinc/00/04/91/590000491.db2.gz ZDOYOLSQQDEDEG-GRYCIOLGSA-N 2 0 236.363 1.459 20 0 BDADRP COCCC1([NH2+]C[C@H]2C[C@@H]2C)CC[NH2+]CC1 ZINC000873224473 590000710 /nfs/dbraw/zinc/00/07/10/590000710.db2.gz CMABJLYWNGBFHI-NWDGAFQWSA-N 2 0 226.364 1.391 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)c1ccnn1C ZINC000873224183 590001115 /nfs/dbraw/zinc/00/11/15/590001115.db2.gz ZDOYOLSQQDEDEG-IJLUTSLNSA-N 2 0 236.363 1.459 20 0 BDADRP C(C[C@H]1CCOC1)[NH2+][C@]12CCC[C@@H]1[NH2+]CC2 ZINC000873231050 590002666 /nfs/dbraw/zinc/00/26/66/590002666.db2.gz FQEALWBLVPQNCM-AVGNSLFASA-N 2 0 224.348 1.287 20 0 BDADRP C([NH2+][C@@]12CCC[C@@H]1[NH2+]CC2)[C@@H]1CCSC1 ZINC000873232075 590003035 /nfs/dbraw/zinc/00/30/35/590003035.db2.gz UWTWNCWPXPSFRW-SDDRHHMPSA-N 2 0 226.389 1.614 20 0 BDADRP CC1(C)CC[C@H](CN[C@@H]2CCC[C@@H]2[NH3+])[NH2+]C1 ZINC000873236393 590004654 /nfs/dbraw/zinc/00/46/54/590004654.db2.gz HBCZBRSAVMSDRO-GRYCIOLGSA-N 2 0 225.380 1.234 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000873246355 590006187 /nfs/dbraw/zinc/00/61/87/590006187.db2.gz YHCBCPKTRRLLQB-RYUDHWBXSA-N 3 0 227.396 1.482 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)[C@@H]2CCC[C@H]21 ZINC000873248484 590006779 /nfs/dbraw/zinc/00/67/79/590006779.db2.gz BJMZCZRMJCKUKG-ZUWCUPBKSA-N 3 0 237.391 1.186 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccnc(F)c1 ZINC000873243544 590006840 /nfs/dbraw/zinc/00/68/40/590006840.db2.gz YCWQLDFOWSFPQB-CMPLNLGQSA-N 2 0 237.322 1.698 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000873249119 590007190 /nfs/dbraw/zinc/00/71/90/590007190.db2.gz IUJHXAGNMZQQHD-WRWGMCAJSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873249841 590007729 /nfs/dbraw/zinc/00/77/29/590007729.db2.gz MUXBTGFGENATCX-MHEUCROKSA-N 3 0 247.386 1.272 20 0 BDADRP CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C1(C)C ZINC000873249505 590007805 /nfs/dbraw/zinc/00/78/05/590007805.db2.gz APLMUJZWUFOGIX-YVECIDJPSA-N 2 0 240.391 1.905 20 0 BDADRP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873252453 590008819 /nfs/dbraw/zinc/00/88/19/590008819.db2.gz RXHCFJXCWMIEFN-QNSHHTMESA-N 2 0 208.309 1.106 20 0 BDADRP COc1cccc(C[C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)n1 ZINC000873252152 590009002 /nfs/dbraw/zinc/00/90/02/590009002.db2.gz PTBBHKKYOVXRNE-UTUOFQBUSA-N 2 0 249.358 1.348 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccncc1 ZINC000873255385 590010599 /nfs/dbraw/zinc/01/05/99/590010599.db2.gz FPGYCIMPDICIRE-CKYFFXLPSA-N 2 0 205.305 1.470 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(F)cn1 ZINC000873255707 590010618 /nfs/dbraw/zinc/01/06/18/590010618.db2.gz IKWWDNKJBKHMBP-QXEWZRGKSA-N 2 0 223.295 1.609 20 0 BDADRP Cc1ncc([C@@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)s1 ZINC000873255419 590010698 /nfs/dbraw/zinc/01/06/98/590010698.db2.gz GIXOJTVJPNHNBQ-SZEHBUNVSA-N 2 0 225.361 1.839 20 0 BDADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873256212 590010733 /nfs/dbraw/zinc/01/07/33/590010733.db2.gz MUIPFVIDHVNCOQ-XDQVBPFNSA-N 3 0 239.407 1.624 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)c2nccn21 ZINC000873255895 590011185 /nfs/dbraw/zinc/01/11/85/590011185.db2.gz KDZFXTJOGXDJIV-DBIOUOCHSA-N 2 0 220.320 1.216 20 0 BDADRP C[C@H](CCc1ccco1)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873257027 590011941 /nfs/dbraw/zinc/01/19/41/590011941.db2.gz DBGQEXLRSKWVTC-IJLUTSLNSA-N 2 0 222.332 1.928 20 0 BDADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC000873259056 590012659 /nfs/dbraw/zinc/01/26/59/590012659.db2.gz YGNXZUDBXCLEQB-JHJVBQTASA-N 2 0 238.375 1.663 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)C1CC[NH+](C)CC1 ZINC000873258718 590012867 /nfs/dbraw/zinc/01/28/67/590012867.db2.gz SWFLXIJJPPVDLT-GVXVVHGQSA-N 3 0 225.380 1.044 20 0 BDADRP COCCC[C@@H](C)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873263295 590013958 /nfs/dbraw/zinc/01/39/58/590013958.db2.gz HWYQTJQTIZEJMO-YIYPIFLZSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)c1cnccn1)C1CC[NH2+]CC1 ZINC000873265604 590015088 /nfs/dbraw/zinc/01/50/88/590015088.db2.gz OPVNVBKZJVXNQT-MNOVXSKESA-N 2 0 234.347 1.515 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@H](C)n2ccnc21)C1CC[NH2+]CC1 ZINC000873270981 590015883 /nfs/dbraw/zinc/01/58/83/590015883.db2.gz DLFSHRFYDPTBNJ-GMXVVIOVSA-N 2 0 248.374 1.867 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873270218 590016217 /nfs/dbraw/zinc/01/62/17/590016217.db2.gz PLSVNLACQWFQCI-GMTAPVOTSA-N 3 0 213.369 1.090 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873272082 590016301 /nfs/dbraw/zinc/01/63/01/590016301.db2.gz PLSVNLACQWFQCI-AXFHLTTASA-N 3 0 213.369 1.090 20 0 BDADRP C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1cnccc1N ZINC000873270733 590016325 /nfs/dbraw/zinc/01/63/25/590016325.db2.gz BDMPVJPBQGBFRP-QWRGUYRKSA-N 2 0 248.374 1.533 20 0 BDADRP COCCC[C@H](C)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873272492 590016370 /nfs/dbraw/zinc/01/63/70/590016370.db2.gz UDHIAZOIUPQYKP-RYUDHWBXSA-N 2 0 228.380 1.779 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccnn1C ZINC000873274869 590016630 /nfs/dbraw/zinc/01/66/30/590016630.db2.gz GUVCUSMRIMJYHT-QWRGUYRKSA-N 2 0 224.352 1.588 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC000873281627 590019010 /nfs/dbraw/zinc/01/90/10/590019010.db2.gz NHCCDUQNOZOFRN-AGIUHOORSA-N 2 0 240.391 1.779 20 0 BDADRP CC[C@H](C)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290820 590023123 /nfs/dbraw/zinc/02/31/23/590023123.db2.gz SMQPTSTZSYOSEF-NWDGAFQWSA-N 2 0 226.364 1.533 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]C[C@H]1C[C@H](O)C1 ZINC000873297269 590024682 /nfs/dbraw/zinc/02/46/82/590024682.db2.gz VJULRCDBVWYOSG-BJDJZHNGSA-N 2 0 212.337 1.007 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCSC2)CC1 ZINC000020188982 590083315 /nfs/dbraw/zinc/08/33/15/590083315.db2.gz GINKDYWMECDJNR-GFCCVEGCSA-N 2 0 228.405 1.954 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)Nc1cccc(C[NH3+])c1 ZINC000876505075 590204326 /nfs/dbraw/zinc/20/43/26/590204326.db2.gz JZZUZHZOAGSPDN-VXGBXAGGSA-N 2 0 247.342 1.457 20 0 BDADRP C[NH2+]C[C@H](C)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877134101 590290971 /nfs/dbraw/zinc/29/09/71/590290971.db2.gz MRIWHVOMNWYKCB-TVYUQYBPSA-N 2 0 247.342 1.295 20 0 BDADRP C[C@@H]([NH3+])CC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877134559 590291141 /nfs/dbraw/zinc/29/11/41/590291141.db2.gz TWALOUXITLHCQM-JFUSQASVSA-N 2 0 233.315 1.177 20 0 BDADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N(C)CCCCCC[NH3+] ZINC000877437967 590327856 /nfs/dbraw/zinc/32/78/56/590327856.db2.gz FFMJNGHHUUHRRV-NEPJUHHUSA-N 2 0 243.395 1.337 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CCCCO3)CC[C@@H]21 ZINC000877742082 590409881 /nfs/dbraw/zinc/40/98/81/590409881.db2.gz OKONTYMDENYIAI-MCIONIFRSA-N 2 0 238.375 1.582 20 0 BDADRP CC(C)[C@@H](O)CC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000878125200 590501431 /nfs/dbraw/zinc/50/14/31/590501431.db2.gz NVLUDHBEVPCPRL-KGLIPLIRSA-N 2 0 242.407 1.667 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H]2C[C@@H](OC)C2)C1 ZINC000878167258 590513493 /nfs/dbraw/zinc/51/34/93/590513493.db2.gz RBMYRHCLKSRUQC-MCIONIFRSA-N 2 0 240.391 1.685 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000878645074 590600524 /nfs/dbraw/zinc/60/05/24/590600524.db2.gz HIJXSLJPRWSZOR-MJBXVCDLSA-N 2 0 238.375 1.439 20 0 BDADRP C[N@@H+]1CC[C@H]2C[NH+](CCC3CC3)CC[C@@H]21 ZINC000879573758 590808954 /nfs/dbraw/zinc/80/89/54/590808954.db2.gz QWJXWJANJWPUAJ-STQMWFEESA-N 2 0 208.349 1.813 20 0 BDADRP CC(C)[C@H](O)CC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879580867 590820406 /nfs/dbraw/zinc/82/04/06/590820406.db2.gz VDCBAHXXZBFNKK-MGPQQGTHSA-N 2 0 240.391 1.419 20 0 BDADRP C[C@H](O)CC[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880259379 590978768 /nfs/dbraw/zinc/97/87/68/590978768.db2.gz RHWGTANXJFBVNI-STQMWFEESA-N 2 0 249.358 1.363 20 0 BDADRP CC(=O)CC[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880260351 590980863 /nfs/dbraw/zinc/98/08/63/590980863.db2.gz BMLZDYGEXYAOJW-GFCCVEGCSA-N 2 0 247.342 1.571 20 0 BDADRP C[NH+](C)C1(CN[C@@H]2CCC[NH2+]CC2)CCCC1 ZINC000129352288 591283571 /nfs/dbraw/zinc/28/35/71/591283571.db2.gz BFBDEOZBYNICNL-CYBMUJFWSA-N 2 0 239.407 1.593 20 0 BDADRP CC1(C)CCC[C@H](C[NH2+]CC2([NH3+])CCC2)O1 ZINC000883425492 591658544 /nfs/dbraw/zinc/65/85/44/591658544.db2.gz VTWMGJQWGVRZJU-LLVKDONJSA-N 2 0 226.364 1.805 20 0 BDADRP C[NH2+]CCCN1CC[C@@](OC)(C(F)(F)F)C1 ZINC000883447801 591669759 /nfs/dbraw/zinc/66/97/59/591669759.db2.gz LREQERQTRCSYSZ-VIFPVBQESA-N 2 0 240.269 1.249 20 0 BDADRP C[C@]1(c2ccccc2)CCC[N@@H+]1CCOCC[NH3+] ZINC000883460082 591673683 /nfs/dbraw/zinc/67/36/83/591673683.db2.gz OPWIOXWLSSVKDK-OAHLLOKOSA-N 2 0 248.370 1.973 20 0 BDADRP CC[C@H](C)[NH+]1CCN(c2cc(C)[nH+]c(N)n2)CC1 ZINC000132876777 591744488 /nfs/dbraw/zinc/74/44/88/591744488.db2.gz DFSMOGKMNKNTEE-NSHDSACASA-N 2 0 249.362 1.288 20 0 BDADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000884338358 591905918 /nfs/dbraw/zinc/90/59/18/591905918.db2.gz FXMDWJHBWOPJPN-WDEREUQCSA-N 2 0 243.395 1.110 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)c1ccc(C[NH3+])cc1 ZINC000884347960 591909237 /nfs/dbraw/zinc/90/92/37/591909237.db2.gz KZENISVUQVXZAL-NEPJUHHUSA-N 2 0 247.342 1.001 20 0 BDADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)C1 ZINC000886613721 592275785 /nfs/dbraw/zinc/27/57/85/592275785.db2.gz CPOJKDPJDOGNRE-IJLUTSLNSA-N 2 0 242.363 1.115 20 0 BDADRP C[C@@H]1SCC[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000220694790 592325780 /nfs/dbraw/zinc/32/57/80/592325780.db2.gz VQLXZXBXPXVRGK-JQWIXIFHSA-N 2 0 228.405 1.812 20 0 BDADRP C[C@@](C[NH3+])([NH2+]CCSC(F)(F)F)C1CC1 ZINC000886830676 592353232 /nfs/dbraw/zinc/35/32/32/592353232.db2.gz VWWOOKYASPMIFS-QMMMGPOBSA-N 2 0 242.310 1.956 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](C[C@H]2C[C@@]23CCOC3)CC1 ZINC000886827683 592350176 /nfs/dbraw/zinc/35/01/76/592350176.db2.gz PUTIUGVVBXJZHU-IACUBPJLSA-N 2 0 238.375 1.472 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2C[C@@]23CCOC3)CC[C@@H]1[NH3+] ZINC000886829435 592350409 /nfs/dbraw/zinc/35/04/09/592350409.db2.gz AFSBHTZEDXHHDU-MROQNXINSA-N 2 0 224.348 1.082 20 0 BDADRP [NH3+]CC1CC[NH+](C[C@@H]2C[C@@]23CCOC3)CC1 ZINC000886827235 592351819 /nfs/dbraw/zinc/35/18/19/592351819.db2.gz HFOOZUFFVWBZRV-QWHCGFSZSA-N 2 0 224.348 1.084 20 0 BDADRP C([C@@H]1C[C@]12CCOC2)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000886832966 592355572 /nfs/dbraw/zinc/35/55/72/592355572.db2.gz QRANYWUFSKQWBS-IHRRRGAJSA-N 2 0 236.359 1.098 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@H]1C[C@]12CCOC2 ZINC000886839841 592360225 /nfs/dbraw/zinc/36/02/25/592360225.db2.gz NGVKUTUNNVNHHS-DYEKYZERSA-N 2 0 238.375 1.391 20 0 BDADRP C[N@H+](CCCCCC[NH3+])C[C@@H]1C[C@@]12CCOC2 ZINC000886841555 592364178 /nfs/dbraw/zinc/36/41/78/592364178.db2.gz OTPWDPAZWAQENS-UONOGXRCSA-N 2 0 240.391 1.864 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886859841 592372818 /nfs/dbraw/zinc/37/28/18/592372818.db2.gz HDGVUBVSASBEGR-ZIAGYGMSSA-N 2 0 238.375 1.487 20 0 BDADRP C([C@H]1CCOC1)[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886870007 592375821 /nfs/dbraw/zinc/37/58/21/592375821.db2.gz NFGOVWMITRKCJY-KGLIPLIRSA-N 2 0 238.375 1.489 20 0 BDADRP COC[C@H](C)[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886872480 592378171 /nfs/dbraw/zinc/37/81/71/592378171.db2.gz SYQZLIMOVJOACB-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCCF ZINC000887132556 592449222 /nfs/dbraw/zinc/44/92/22/592449222.db2.gz IHQKSCWXPHBJCB-GFCCVEGCSA-N 2 0 237.322 1.952 20 0 BDADRP CC[C@@H](CNC(=[NH2+])NCC(F)F)[NH+]1CCCC1 ZINC000887348527 592484788 /nfs/dbraw/zinc/48/47/88/592484788.db2.gz MKMOPIZWOBFXGV-VIFPVBQESA-N 2 0 248.321 1.240 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CC[C@H](SC)C1 ZINC000300378068 592509170 /nfs/dbraw/zinc/50/91/70/592509170.db2.gz AVCGRZLBOVADOD-SRVKXCTJSA-N 2 0 246.420 1.614 20 0 BDADRP [NH3+][C@@H]1C[C@@H](N[C@H]2CC[NH2+]C3(CCC3)C2)C12CCC2 ZINC000925704058 634382925 /nfs/dbraw/zinc/38/29/25/634382925.db2.gz FZFLXECUHJLFHT-YNEHKIRRSA-N 2 0 249.402 1.521 20 0 BDADRP CSCC[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC001258212309 991130989 /nfs/dbraw/zinc/13/09/89/991130989.db2.gz FVDLZWMIWZFDSH-KXUCPTDWSA-N 2 0 202.367 1.597 20 0 BDADRP CC[C@@H](C)[C@@H](C)[NH+]1CCC([NH3+])(CO)CC1 ZINC001576960042 993466467 /nfs/dbraw/zinc/46/64/67/993466467.db2.gz ARADCZCKTHZKTN-GHMZBOCLSA-N 2 0 214.353 1.207 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+][C@@H](C)CC[NH+](C)C)C12CCC2 ZINC000308369470 634385460 /nfs/dbraw/zinc/38/54/60/634385460.db2.gz OIADIRIIDBECBS-RWMBFGLXSA-N 2 0 240.391 1.874 20 0 BDADRP C1CC2(C1)C[C@H](N[C@H]1CC[NH2+]C13CCC3)CC[NH2+]2 ZINC000925707297 634392729 /nfs/dbraw/zinc/39/27/29/634392729.db2.gz OZISKGAAFSVMID-OLZOCXBDSA-N 2 0 249.402 1.535 20 0 BDADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925708829 634404394 /nfs/dbraw/zinc/40/43/94/634404394.db2.gz NZPFWOXOEATGIV-OBJOEFQTSA-N 3 0 235.375 1.792 20 0 BDADRP C[C@@H](N)[C@@H]([NH2+][C@H](C)CCC[NH3+])c1ccccc1 ZINC000925710601 634406942 /nfs/dbraw/zinc/40/69/42/634406942.db2.gz QHLULAHMINSWSZ-YRGRVCCFSA-N 2 0 235.375 1.792 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@H](CC[NH3+])C2)O1 ZINC000299991637 634406953 /nfs/dbraw/zinc/40/69/53/634406953.db2.gz DFADWCSFRGRWNB-GRYCIOLGSA-N 2 0 212.337 1.225 20 0 BDADRP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@@H]2[NH2+][C@H]1C=CCC1 ZINC000925713508 634416280 /nfs/dbraw/zinc/41/62/80/634416280.db2.gz WFRHRPQBIKFPKS-FPYNETTCSA-N 2 0 222.332 1.047 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1COCC1(C)C ZINC000313029517 634439106 /nfs/dbraw/zinc/43/91/06/634439106.db2.gz HRMCAUJQBHHLSL-QWRGUYRKSA-N 2 0 214.353 1.341 20 0 BDADRP C[C@H]([NH3+])[C@@H](NCC12CC(C1)C[NH2+]2)c1ccccc1 ZINC000925715531 634443276 /nfs/dbraw/zinc/44/32/76/634443276.db2.gz JRHUAYVDPIRNLP-UZTPGZALSA-N 2 0 245.370 1.417 20 0 BDADRP CC1(C)[C@H](NCC23CC(C2)C[NH2+]3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925715532 634443585 /nfs/dbraw/zinc/44/35/85/634443585.db2.gz JSAGRRGCJBMWFF-DPWYMPPLSA-N 2 0 249.402 1.105 20 0 BDADRP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1COCC1(C)C ZINC000313077044 634446501 /nfs/dbraw/zinc/44/65/01/634446501.db2.gz KNWRQJLUOAXMJL-LLVKDONJSA-N 2 0 228.380 1.589 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CC[C@H]2CCCOC2)C12CCC2 ZINC000925720087 634459109 /nfs/dbraw/zinc/45/91/09/634459109.db2.gz FMHFIBYKUGHMAJ-UPJWGTAASA-N 2 0 238.375 1.663 20 0 BDADRP C1CC2(C1)[NH2+]CC[C@H]2N[C@H]1CC[NH2+]C12CCC2 ZINC000925723367 634468574 /nfs/dbraw/zinc/46/85/74/634468574.db2.gz QJEHILBALNXHFK-TXEJJXNPSA-N 2 0 235.375 1.145 20 0 BDADRP C([C@H]1CCCOC1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000257697477 634470814 /nfs/dbraw/zinc/47/08/14/634470814.db2.gz PDWQJIFTQFDFOB-KGLIPLIRSA-N 2 0 238.375 1.631 20 0 BDADRP C([C@H]1CCCCO1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257731724 634487222 /nfs/dbraw/zinc/48/72/22/634487222.db2.gz XHAZDQVFOVRNOO-ZIAGYGMSSA-N 2 0 238.375 1.631 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000925727450 634526074 /nfs/dbraw/zinc/52/60/74/634526074.db2.gz PSXAHKMXWLBDQJ-WRWGMCAJSA-N 3 0 225.380 1.219 20 0 BDADRP c1cn(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cn1 ZINC000093452795 634542084 /nfs/dbraw/zinc/54/20/84/634542084.db2.gz OQSMGLOUNNHOLZ-MCIONIFRSA-N 2 0 248.374 1.393 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCN[C@@H]1C)C1CC[NH2+]CC1 ZINC000925730239 634554503 /nfs/dbraw/zinc/55/45/03/634554503.db2.gz VDQBRIGLPZNCIK-DMDPSCGWSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1ccns1 ZINC000925731428 634563227 /nfs/dbraw/zinc/56/32/27/634563227.db2.gz KKTMGNNETYFEEM-ZYHUDNBSSA-N 2 0 239.388 1.663 20 0 BDADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)C1(C)C ZINC000925787221 635306446 /nfs/dbraw/zinc/30/64/46/635306446.db2.gz XPHSBXSAMHJWAI-UJPOAAIJSA-N 2 0 240.391 1.491 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCCCCCO)C1 ZINC000226422656 635434501 /nfs/dbraw/zinc/43/45/01/635434501.db2.gz UHJHQQPGXSMNLD-QWHCGFSZSA-N 2 0 228.380 1.598 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000227708884 635452990 /nfs/dbraw/zinc/45/29/90/635452990.db2.gz ANHRISKKBFTKIY-MRVWCRGKSA-N 2 0 234.343 1.532 20 0 BDADRP C[NH+]1CCC(C[NH2+]CC2(C)CCOCC2)CC1 ZINC000230683934 635492784 /nfs/dbraw/zinc/49/27/84/635492784.db2.gz XMWIGEFEGMFVAK-UHFFFAOYSA-N 2 0 240.391 1.735 20 0 BDADRP CSCC[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000228911685 635465638 /nfs/dbraw/zinc/46/56/38/635465638.db2.gz SMVRPFKNPLRHGC-NWDGAFQWSA-N 2 0 246.420 1.174 20 0 BDADRP CCC[NH+]1CCC(N(C)C[C@H]2CCC[NH2+]2)CC1 ZINC000233054029 635524630 /nfs/dbraw/zinc/52/46/30/635524630.db2.gz RGMLSSSZKDHIKT-CYBMUJFWSA-N 2 0 239.407 1.545 20 0 BDADRP CCc1onc(C)c1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000925888254 635615538 /nfs/dbraw/zinc/61/55/38/635615538.db2.gz ARRWYVUYYWIGNX-QWRGUYRKSA-N 2 0 237.347 1.905 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc2c1OCC2 ZINC000925873546 635592479 /nfs/dbraw/zinc/59/24/79/635592479.db2.gz BGZLBRGWZRMACP-MNOVXSKESA-N 2 0 234.343 1.837 20 0 BDADRP Cc1ccc(NCC[NH2+][C@@H]2CCC[C@@H]2[NH3+])nc1 ZINC000925878216 635605147 /nfs/dbraw/zinc/60/51/47/635605147.db2.gz RRZUJOJEOFKCNG-NWDGAFQWSA-N 2 0 234.347 1.271 20 0 BDADRP CC[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCCC[NH2+]1 ZINC000925881199 635609157 /nfs/dbraw/zinc/60/91/57/635609157.db2.gz YZSJHPYWEARMRJ-XJFOESAGSA-N 3 0 239.407 1.624 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccnn1C ZINC000925880886 635609702 /nfs/dbraw/zinc/60/97/02/635609702.db2.gz WIWFGKCGNLYWGL-AXFHLTTASA-N 2 0 222.336 1.198 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@]12C[C@H]1CCC2 ZINC000925881454 635611341 /nfs/dbraw/zinc/61/13/41/635611341.db2.gz SBRDUEYJWVZICF-UPJWGTAASA-N 2 0 226.364 1.520 20 0 BDADRP CN(C[C@H](O)C[NH2+]CCCC(C)(C)C)C1CC1 ZINC000313461611 631269615 /nfs/dbraw/zinc/26/96/15/631269615.db2.gz OSKFDLOVPDRGHH-CYBMUJFWSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN1Cc2ccccc2C1 ZINC000082570938 631408462 /nfs/dbraw/zinc/40/84/62/631408462.db2.gz SHHVDLMIPCOUBX-RISCZKNCSA-N 2 0 216.328 1.858 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)O1 ZINC000322401580 631543514 /nfs/dbraw/zinc/54/35/14/631543514.db2.gz VCMXVCHFPCDXIT-JWURUJNWSA-N 2 0 238.375 1.769 20 0 BDADRP CC[C@]1(C)C[N@H+](CC2CC[NH+](C)CC2)CCO1 ZINC000893907498 635634756 /nfs/dbraw/zinc/63/47/56/635634756.db2.gz MEBOZTXINYRFND-CQSZACIVSA-N 2 0 240.391 1.829 20 0 BDADRP CO[C@H]1C[N@H+](CC2CC[NH+](C)CC2)CC[C@H]1C ZINC000893899533 635634788 /nfs/dbraw/zinc/63/47/88/635634788.db2.gz CUMCUJJSPBGXBU-OCCSQVGLSA-N 2 0 240.391 1.685 20 0 BDADRP CC(C)(C)SCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000308787814 631648749 /nfs/dbraw/zinc/64/87/49/631648749.db2.gz HBRJPAWPJBHHRR-PHIMTYICSA-N 2 0 228.405 1.669 20 0 BDADRP CC(C)[C@@H](CO)C[NH2+]CC1CC[NH+](C)CC1 ZINC000258924400 631685887 /nfs/dbraw/zinc/68/58/87/631685887.db2.gz HDPOLJBJIGHGIN-CYBMUJFWSA-N 2 0 228.380 1.182 20 0 BDADRP CO[C@H](C)CC[NH2+]CC1CC[NH+](C)CC1 ZINC000308930525 631745881 /nfs/dbraw/zinc/74/58/81/631745881.db2.gz LYGSPPUOXRQFME-LLVKDONJSA-N 2 0 214.353 1.343 20 0 BDADRP C[C@H]1C[C@@H](NCCC(C)(C)[NH3+])CC[N@@H+]1C ZINC000308969609 631774902 /nfs/dbraw/zinc/77/49/02/631774902.db2.gz ONGUOWSKSYNQKV-QWRGUYRKSA-N 2 0 213.369 1.186 20 0 BDADRP CN(C)[C@@H]1CCC[N@H+](CCCCCCC[NH3+])C1 ZINC000091395092 631957772 /nfs/dbraw/zinc/95/77/72/631957772.db2.gz FNOLZKMISFSQRB-CQSZACIVSA-N 2 0 241.423 1.922 20 0 BDADRP c1csc(CC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000309286368 631991909 /nfs/dbraw/zinc/99/19/09/631991909.db2.gz OUHKAIWGAXBPGK-WCQYABFASA-N 2 0 236.384 1.974 20 0 BDADRP C[C@@H](NC(C[NH3+])C[NH3+])c1ccc(Cl)cc1 ZINC000309393812 632023622 /nfs/dbraw/zinc/02/36/22/632023622.db2.gz GHODZKCMAKUMKU-MRVPVSSYSA-N 2 0 227.739 1.277 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000039118127 632023936 /nfs/dbraw/zinc/02/39/36/632023936.db2.gz QLCKKEDDTGRAGL-NWDGAFQWSA-N 2 0 204.317 1.947 20 0 BDADRP C[N@@H+]1CCC[C@H](CNC(=[NH2+])NC(C)(C)C)C1 ZINC000052043917 632052085 /nfs/dbraw/zinc/05/20/85/632052085.db2.gz LDENLHBKLBIHAN-SNVBAGLBSA-N 2 0 226.368 1.241 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H](O)C1CCC1 ZINC000926552954 632491105 /nfs/dbraw/zinc/49/11/05/632491105.db2.gz PUAZNIPYGUKWEZ-RBKKPWLPSA-N 2 0 238.375 1.077 20 0 BDADRP CCCNC(=O)CC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000089145905 632657783 /nfs/dbraw/zinc/65/77/83/632657783.db2.gz BPBYEYCGWVYFNY-NWDGAFQWSA-N 2 0 241.379 1.010 20 0 BDADRP C[C@@]1(C[NH3+])CC[N@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000310082811 632700868 /nfs/dbraw/zinc/70/08/68/632700868.db2.gz KQPKKVWPTIBQOL-KBPBESRZSA-N 2 0 240.391 1.598 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c2ncnn21 ZINC000926666358 632794389 /nfs/dbraw/zinc/79/43/89/632794389.db2.gz SWFLNFXPVPELKO-WYUUTHIRSA-N 2 0 249.362 1.214 20 0 BDADRP C[C@@H]([NH2+]C/C=C\CO)c1cccc(C[NH+](C)C)c1 ZINC000926687785 632822662 /nfs/dbraw/zinc/82/26/62/632822662.db2.gz AZRILAXYLCVXEY-DSYXLKISSA-N 2 0 248.370 1.947 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCCCCCO)C1 ZINC000236318940 632919969 /nfs/dbraw/zinc/91/99/69/632919969.db2.gz IFVGYEMDKKCWEM-NWDGAFQWSA-N 2 0 214.353 1.399 20 0 BDADRP CC(=O)OC[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000892622538 633019301 /nfs/dbraw/zinc/01/93/01/633019301.db2.gz QWCJRXGKZXEJRK-VXGBXAGGSA-N 2 0 242.363 1.260 20 0 BDADRP C[C@H](O)CCC[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000309423453 633054009 /nfs/dbraw/zinc/05/40/09/633054009.db2.gz YHVAEEPVKKBZNJ-RWMBFGLXSA-N 2 0 226.364 1.031 20 0 BDADRP CO[C@@H]1C[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)CC[C@H]1C ZINC000299904463 635893355 /nfs/dbraw/zinc/89/33/55/635893355.db2.gz FIPIVYQXKZEJCS-FVCCEPFGSA-N 2 0 226.364 1.199 20 0 BDADRP C(C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@@H]1CCCO1 ZINC000309441236 633076549 /nfs/dbraw/zinc/07/65/49/633076549.db2.gz ZNDMTRJHACRQJC-XQQFMLRXSA-N 2 0 224.348 1.097 20 0 BDADRP C[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)[C@H]1CCOC1 ZINC000166327965 633109681 /nfs/dbraw/zinc/10/96/81/633109681.db2.gz GWJRWRUZQUHSHK-WFASDCNBSA-N 2 0 248.370 1.702 20 0 BDADRP C([NH2+][C@H]1CCC[NH2+]CC1)C1(C2CC2)CC1 ZINC000232450459 635927970 /nfs/dbraw/zinc/92/79/70/635927970.db2.gz NMGQLQGCHUJOGP-LBPRGKRZSA-N 2 0 208.349 1.908 20 0 BDADRP Cc1ccoc1C[NH2+]C1CCC([NH3+])CC1 ZINC000229477620 636028815 /nfs/dbraw/zinc/02/88/15/636028815.db2.gz JAQDLUHVGGVZAR-UHFFFAOYSA-N 2 0 208.305 1.948 20 0 BDADRP CCSCCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328449513 633764844 /nfs/dbraw/zinc/76/48/44/633764844.db2.gz PCYPQQMTJJAWHZ-OBPIAQAESA-N 2 0 240.416 1.716 20 0 BDADRP C(CC1CCC1)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328576134 633777805 /nfs/dbraw/zinc/77/78/05/633777805.db2.gz YYMUAPJAPCJTBO-QSLWVIQJSA-N 2 0 220.360 1.763 20 0 BDADRP CC1(C)C[C@@H]1C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328575014 633779330 /nfs/dbraw/zinc/77/93/30/633779330.db2.gz XPCYRGCKGLTMHZ-ASHHDVGLSA-N 2 0 220.360 1.619 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCN2CCCC2)C1 ZINC000925509289 633846327 /nfs/dbraw/zinc/84/63/27/633846327.db2.gz NCWUMTLUNYWNKR-QWHCGFSZSA-N 2 0 239.407 1.578 20 0 BDADRP COC[C@@H](C)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000053172614 633876092 /nfs/dbraw/zinc/87/60/92/633876092.db2.gz UMNFEARMHZPTFA-CYBMUJFWSA-N 2 0 228.380 1.733 20 0 BDADRP C(C[NH2+][C@@H]1CC[NH2+]C12CCC2)COCC1CC1 ZINC000925520821 633883531 /nfs/dbraw/zinc/88/35/31/633883531.db2.gz SSUPBLKRBRUMLE-CYBMUJFWSA-N 2 0 238.375 1.677 20 0 BDADRP C[N@@H+]1CCC[C@H]1CN[C@H]1CC[NH2+]C12CCCC2 ZINC000925565758 634060093 /nfs/dbraw/zinc/06/00/93/634060093.db2.gz XSXYQKCQQUIVHM-STQMWFEESA-N 2 0 237.391 1.345 20 0 BDADRP Cn1cc(CCC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)cn1 ZINC000925576896 634079374 /nfs/dbraw/zinc/07/93/74/634079374.db2.gz LCAGMZZWGBFZBB-OLZOCXBDSA-N 2 0 248.374 1.212 20 0 BDADRP C[C@H](CCO)[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925610120 634146753 /nfs/dbraw/zinc/14/67/53/634146753.db2.gz CMSDJNUBCWJVRW-WYUUTHIRSA-N 2 0 226.364 1.124 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H](CCO)C2CC2)C1 ZINC000925618009 634168963 /nfs/dbraw/zinc/16/89/63/634168963.db2.gz FFPDVYYPFHCWNC-JHJVBQTASA-N 2 0 240.391 1.643 20 0 BDADRP C[N@H+](CCN1CC[NH2+]CC1)CC1(C)CCC1 ZINC000390271337 634175878 /nfs/dbraw/zinc/17/58/78/634175878.db2.gz RTDCSEAXPUPKNA-UHFFFAOYSA-N 2 0 225.380 1.014 20 0 BDADRP Cc1cc(C[C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)[nH]n1 ZINC000925619549 634176058 /nfs/dbraw/zinc/17/60/58/634176058.db2.gz OVRDUQVKTNYJCG-ZWKOPEQDSA-N 2 0 248.374 1.509 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000931041789 634195534 /nfs/dbraw/zinc/19/55/34/634195534.db2.gz LANOPAMDVNNESK-UONOGXRCSA-N 2 0 241.423 1.743 20 0 BDADRP C[C@@H]1[C@@H]([NH+](C)C)CCN1CC[NH+]1CCCCC1 ZINC000931043889 634196610 /nfs/dbraw/zinc/19/66/10/634196610.db2.gz RHIKTPSCFRTJPC-KGLIPLIRSA-N 2 0 239.407 1.497 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@H]1CCC[C@@H]1CCO ZINC000925645404 634199231 /nfs/dbraw/zinc/19/92/31/634199231.db2.gz QBRTUENIVDZUKP-WOPDTQHZSA-N 2 0 226.364 1.268 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000925645851 634200793 /nfs/dbraw/zinc/20/07/93/634200793.db2.gz SJHZHQJSRXHLQZ-UMSGYPCISA-N 2 0 240.391 1.786 20 0 BDADRP CC1(C)C[C@@H]([NH2+]CC2(CO)CCC2)C[C@@H]([NH3+])C1 ZINC000925648328 634203695 /nfs/dbraw/zinc/20/36/95/634203695.db2.gz SWYVVLPEPVFJSZ-NEPJUHHUSA-N 2 0 240.391 1.645 20 0 BDADRP C1=CC[N@H+](CCN[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925662461 634227866 /nfs/dbraw/zinc/22/78/66/634227866.db2.gz ILXMPYACESMOGE-ZDUSSCGKSA-N 2 0 235.375 1.123 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCS[C@H](C)C1 ZINC000123511262 634242239 /nfs/dbraw/zinc/24/22/39/634242239.db2.gz BMQVMNCGQFTILI-MXWKQRLJSA-N 2 0 214.378 1.279 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCC2(O)CCC2)C1 ZINC000925666677 634242861 /nfs/dbraw/zinc/24/28/61/634242861.db2.gz VJBJRIAXDZBZDQ-NWDGAFQWSA-N 2 0 240.391 1.787 20 0 BDADRP C[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CCC=CO2)C1 ZINC000193951621 634298766 /nfs/dbraw/zinc/29/87/66/634298766.db2.gz MEXJAPOOADEFHW-OLZOCXBDSA-N 2 0 224.348 1.563 20 0 BDADRP CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925686898 634300484 /nfs/dbraw/zinc/30/04/84/634300484.db2.gz XKASFLKNQYZBGU-WRWGMCAJSA-N 2 0 224.348 1.413 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@H]1CC[NH2+]C12CCCC2 ZINC000925690088 634311684 /nfs/dbraw/zinc/31/16/84/634311684.db2.gz DWJZETZZDMHFDG-NEPJUHHUSA-N 2 0 225.380 1.234 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1NCc1ccc2c[nH+]cn2c1 ZINC000925691727 634319409 /nfs/dbraw/zinc/31/94/09/634319409.db2.gz IYVHADQNWVKDAC-SMDDNHRTSA-N 2 0 244.342 1.564 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000925692333 634322464 /nfs/dbraw/zinc/32/24/64/634322464.db2.gz JOXXSYMSPJLTIS-ISCIKXKRSA-N 2 0 236.359 1.140 20 0 BDADRP C[C@H]([NH3+])CCN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925692527 634325872 /nfs/dbraw/zinc/32/58/72/634325872.db2.gz MACMXUOTTWHTJP-HBNTYKKESA-N 2 0 213.369 1.219 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000925693822 634332237 /nfs/dbraw/zinc/33/22/37/634332237.db2.gz SBCPCCBMEXMXJC-FRRDWIJNSA-N 2 0 226.364 1.391 20 0 BDADRP CC1(C)C[C@@H]([NH2+]C2CCC([NH3+])CC2)C[C@@H]([NH3+])C1 ZINC000925694166 634335019 /nfs/dbraw/zinc/33/50/19/634335019.db2.gz RANWZCZGEDXSRX-KPFVRQRISA-N 3 0 239.407 1.752 20 0 BDADRP C(N[C@H]1CC[NH2+]C12CCCC2)[C@H]1CCCC[NH2+]1 ZINC000925695780 634351693 /nfs/dbraw/zinc/35/16/93/634351693.db2.gz XIEMBIIIIIZKHQ-OLZOCXBDSA-N 2 0 237.391 1.393 20 0 BDADRP C(N[C@@H]1CC[NH2+]C12CCCC2)[C@H]1CCCC[NH2+]1 ZINC000925695779 634352466 /nfs/dbraw/zinc/35/24/66/634352466.db2.gz XIEMBIIIIIZKHQ-CHWSQXEVSA-N 2 0 237.391 1.393 20 0 BDADRP CC(C)[C@@H]1C[C@H]1C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925696678 634354980 /nfs/dbraw/zinc/35/49/80/634354980.db2.gz YEQXSKQTAQBBSK-PYIXCIEVSA-N 2 0 234.387 1.865 20 0 BDADRP C[C@H]([NH3+])[C@@H](NC[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000925696946 634356586 /nfs/dbraw/zinc/35/65/86/634356586.db2.gz CCDJWENXCBNDHC-SGMGOOAPSA-N 2 0 233.359 1.274 20 0 BDADRP C[C@]1(CN[C@@H]2CC[NH2+]C23CCC3)CCC[NH2+]C1 ZINC000925699087 634367243 /nfs/dbraw/zinc/36/72/43/634367243.db2.gz MSKIPTIZCUIOLS-OLZOCXBDSA-N 2 0 237.391 1.250 20 0 BDADRP CCC([NH3+])(CC)CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925699352 634367258 /nfs/dbraw/zinc/36/72/58/634367258.db2.gz OHMQWRKFXBCLGO-OBPIAQAESA-N 2 0 237.391 1.090 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@H](NCC2([NH3+])CCC2)C1 ZINC000925699701 634368044 /nfs/dbraw/zinc/36/80/44/634368044.db2.gz PRHAFMJONIPJFW-QWRGUYRKSA-N 2 0 225.380 1.363 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000925700226 634370863 /nfs/dbraw/zinc/37/08/63/634370863.db2.gz NVVFQLCPDCOBOY-JHJVBQTASA-N 3 0 239.407 1.624 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+][C@@H]2CCC[C@]23CCCO3)C1 ZINC000925771744 635209944 /nfs/dbraw/zinc/20/99/44/635209944.db2.gz CTFCOEJBTQMFGA-DGAVXFQQSA-N 2 0 238.375 1.948 20 0 BDADRP C(C[C@H]1CCCO1)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925773294 635224973 /nfs/dbraw/zinc/22/49/73/635224973.db2.gz CDVKBNWMNJKOIU-VPCRRHSYSA-N 2 0 236.359 1.142 20 0 BDADRP C([NH2+]C1CC[NH2+]CC1)[C@H]1CC2(CCC2)CO1 ZINC000925774498 635236368 /nfs/dbraw/zinc/23/63/68/635236368.db2.gz WBTQZHRRYLZTJT-GFCCVEGCSA-N 2 0 224.348 1.287 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000925794400 635326872 /nfs/dbraw/zinc/32/68/72/635326872.db2.gz LLUPKDKEHUVZHP-SYQHCUMBSA-N 3 0 239.407 1.339 20 0 BDADRP C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCCCCC[NH3+] ZINC000310182601 635331783 /nfs/dbraw/zinc/33/17/83/635331783.db2.gz WSLNZONMQZWKOC-VXGBXAGGSA-N 2 0 241.379 1.091 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CCCOC1 ZINC000925799436 635341592 /nfs/dbraw/zinc/34/15/92/635341592.db2.gz UYVQXAFCGLGVNY-RQJABVFESA-N 2 0 240.391 1.637 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000925801584 635347311 /nfs/dbraw/zinc/34/73/11/635347311.db2.gz BLPXMPBCCBVOKP-YVECIDJPSA-N 2 0 248.374 1.724 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000925802389 635349733 /nfs/dbraw/zinc/34/97/33/635349733.db2.gz FXFNFBJIKWXEIZ-WZRBSPASSA-N 2 0 248.374 1.622 20 0 BDADRP C[C@H](Cc1cnccn1)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925803761 635354046 /nfs/dbraw/zinc/35/40/46/635354046.db2.gz UTRRHIWVEGKWGC-JHJVBQTASA-N 2 0 248.374 1.243 20 0 BDADRP CC1(C)CCC[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925810493 635364418 /nfs/dbraw/zinc/36/44/18/635364418.db2.gz OFJZRBVEYXMNTA-ZDUSSCGKSA-N 2 0 239.407 1.578 20 0 BDADRP CC[C@H]([NH2+]CCN1CCC([NH3+])CC1)[C@H]1C[C@@H]1C ZINC000925817092 635386555 /nfs/dbraw/zinc/38/65/55/635386555.db2.gz MZFRXEXQBLEYGO-UBHSHLNASA-N 2 0 239.407 1.434 20 0 BDADRP CC(C)[N@H+](C)CCNC1CC[NH+](C)CC1 ZINC000054110729 635388837 /nfs/dbraw/zinc/38/88/37/635388837.db2.gz OBDRRVCOWSMZAU-UHFFFAOYSA-N 2 0 213.369 1.010 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCC1CC=CC1 ZINC000925832993 635474925 /nfs/dbraw/zinc/47/49/25/635474925.db2.gz QZSNNLPZLQFAMQ-FPMFFAJLSA-N 2 0 238.375 1.685 20 0 BDADRP Cc1cc(NC[C@@H](C)C[NH+]2CCCC2)nc(N)[nH+]1 ZINC000107832615 635489525 /nfs/dbraw/zinc/48/95/25/635489525.db2.gz KDMIQKVXDCFEMM-SNVBAGLBSA-N 2 0 249.362 1.511 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)c1ccccc1 ZINC000250822539 635498811 /nfs/dbraw/zinc/49/88/11/635498811.db2.gz UEURGYLKTMELGZ-IHRRRGAJSA-N 2 0 234.343 1.437 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000925856229 635547834 /nfs/dbraw/zinc/54/78/34/635547834.db2.gz JPUIMLILGKTPPC-DCAQKATOSA-N 2 0 200.326 1.007 20 0 BDADRP C[C@H]1OCC[C@]1(C)[NH2+]CC1CC[NH+](C)CC1 ZINC000235640998 635583665 /nfs/dbraw/zinc/58/36/65/635583665.db2.gz OVJFCYWIHUXZJN-YPMHNXCESA-N 2 0 226.364 1.485 20 0 BDADRP COc1ncccc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000054242801 636241054 /nfs/dbraw/zinc/24/10/54/636241054.db2.gz WPNSOMHUWOFMTR-UHFFFAOYSA-N 2 0 249.358 1.522 20 0 BDADRP OCCCCCC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000310539461 636265421 /nfs/dbraw/zinc/26/54/21/636265421.db2.gz SEAAHGZRSBVOKX-UHFFFAOYSA-N 2 0 240.391 1.615 20 0 BDADRP C[N@@H+]1C[C@@H]2C[NH+](CC3=CCCOC3)C[C@]2(C)C1 ZINC000897621594 636826711 /nfs/dbraw/zinc/82/67/11/636826711.db2.gz KAIPNDXDSCHFQY-KGLIPLIRSA-N 2 0 236.359 1.217 20 0 BDADRP C[C@@H]1OCC[C@@H]1CN1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866722990 636934040 /nfs/dbraw/zinc/93/40/40/636934040.db2.gz DQILOAFYUUOSMF-UMSGYPCISA-N 2 0 224.348 1.238 20 0 BDADRP COC[C@@H](C)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000163548120 636993895 /nfs/dbraw/zinc/99/38/95/636993895.db2.gz OXILSYZLRFRXON-UNXYVOJBSA-N 2 0 214.353 1.471 20 0 BDADRP CCCC[N@H+](CCO)CCC[NH2+]C1CC1 ZINC000042494618 637273505 /nfs/dbraw/zinc/27/35/05/637273505.db2.gz DBXPLBHCCOHQMA-UHFFFAOYSA-N 2 0 214.353 1.223 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H](CCO)C2CC2)C1 ZINC000902363080 637297894 /nfs/dbraw/zinc/29/78/94/637297894.db2.gz UCGSFOMKGFYKHV-QWHCGFSZSA-N 2 0 240.391 1.515 20 0 BDADRP CC[C@H](CO)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902363370 637298994 /nfs/dbraw/zinc/29/89/94/637298994.db2.gz LRELMQPAZHQODX-MNOVXSKESA-N 2 0 214.353 1.125 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCCF)C1 ZINC000902362896 637299876 /nfs/dbraw/zinc/29/98/76/637299876.db2.gz SVWFEIIEBPZTCL-SNVBAGLBSA-N 2 0 202.317 1.714 20 0 BDADRP CC[C@@H](CO)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902363372 637299754 /nfs/dbraw/zinc/29/97/54/637299754.db2.gz LRELMQPAZHQODX-WDEREUQCSA-N 2 0 214.353 1.125 20 0 BDADRP CCOC[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903437065 637360248 /nfs/dbraw/zinc/36/02/48/637360248.db2.gz CRPLIFVCNRRYRO-RDBSUJKOSA-N 2 0 240.391 1.590 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN(C)CC[NH+]1CCCCC1 ZINC000903461406 637362078 /nfs/dbraw/zinc/36/20/78/637362078.db2.gz SISURDFXWSVTGJ-KGLIPLIRSA-N 2 0 239.407 1.260 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H]3OCC[C@@H]32)C1 ZINC000903463842 637363870 /nfs/dbraw/zinc/36/38/70/637363870.db2.gz PMVUAKUVRMQILD-RNJOBUHISA-N 2 0 224.348 1.367 20 0 BDADRP Cn1nccc1[C@H]1CCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000903566358 637371097 /nfs/dbraw/zinc/37/10/97/637371097.db2.gz QURWTGFDVUEEHK-GXTWGEPZSA-N 2 0 248.374 1.557 20 0 BDADRP C[N@H+](CC1CC1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903722566 637379738 /nfs/dbraw/zinc/37/97/38/637379738.db2.gz MSQUFYCAQYXIOZ-ZDUSSCGKSA-N 2 0 238.375 1.487 20 0 BDADRP C[NH2+]CCN(C[C@H]1CCCC[NH2+]C1)C(C)C ZINC000903787473 637382451 /nfs/dbraw/zinc/38/24/51/637382451.db2.gz XCWSHVOSKJWSCE-ZDUSSCGKSA-N 2 0 227.396 1.306 20 0 BDADRP CC1(C)C[NH2+]C[C@H]1[NH2+]C[C@H]1CCSC1 ZINC000904462181 637406144 /nfs/dbraw/zinc/40/61/44/637406144.db2.gz OJCIZCCZPRHESH-NXEZZACHSA-N 2 0 214.378 1.327 20 0 BDADRP C[C@H]1C[NH2+]C[C@@H](N[C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000904458240 637421227 /nfs/dbraw/zinc/42/12/27/637421227.db2.gz CQBZOGCNMMTXNF-DZGBDDFRSA-N 2 0 245.370 1.199 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2COC[C@@H]2C2CC2)CC[NH2+]1 ZINC000904475511 637425885 /nfs/dbraw/zinc/42/58/85/637425885.db2.gz LGOOCOZTBBWTNL-HBJVGIJOSA-N 2 0 238.375 1.389 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)NC(CC)(CC)C[NH3+] ZINC000904925050 637528907 /nfs/dbraw/zinc/52/89/07/637528907.db2.gz CWRNEBULPFPRFC-NSHDSACASA-N 2 0 229.368 1.138 20 0 BDADRP C[NH2+][C@H](C)Cc1noc([C@H](CC(C)C)[NH2+]C)n1 ZINC000905304910 637762531 /nfs/dbraw/zinc/76/25/31/637762531.db2.gz OFEMTUMNFVQDEG-ZJUUUORDSA-N 2 0 240.351 1.527 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc3cccnc32)C1 ZINC000906508371 638179372 /nfs/dbraw/zinc/17/93/72/638179372.db2.gz POMGHTBSFUBJKF-JOCQHMNTSA-N 2 0 227.311 1.814 20 0 BDADRP [NH3+]C1CC([NH2+]Cc2cc(-n3ccnc3)cs2)C1 ZINC000906509227 638180904 /nfs/dbraw/zinc/18/09/04/638180904.db2.gz BEWNUGIABXWLEX-UHFFFAOYSA-N 2 0 248.355 1.513 20 0 BDADRP CCOc1ccc(C[NH2+]C2CC([NH3+])C2)cc1 ZINC000906508674 638181064 /nfs/dbraw/zinc/18/10/64/638181064.db2.gz UGTRBNIPGCYFPW-UHFFFAOYSA-N 2 0 220.316 1.665 20 0 BDADRP C[C@H](Cc1ccccc1F)[NH2+]C1CC([NH3+])C1 ZINC000906511103 638183660 /nfs/dbraw/zinc/18/36/60/638183660.db2.gz SLOWPCHLHJLUDH-OIKLOGQESA-N 2 0 222.307 1.836 20 0 BDADRP [NH3+]C1CC([NH2+]Cc2c[nH]nc2-c2ccsc2)C1 ZINC000906511467 638185703 /nfs/dbraw/zinc/18/57/03/638185703.db2.gz VBHNLUUIRRIRID-UHFFFAOYSA-N 2 0 248.355 1.718 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CN[C@H]1C[C@H]([NH3+])C1 ZINC000906518437 638187250 /nfs/dbraw/zinc/18/72/50/638187250.db2.gz NQXHXXHDCVLRBL-DCAQKATOSA-N 2 0 213.369 1.219 20 0 BDADRP Cc1cccc(C)c1C[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC000906517326 638187919 /nfs/dbraw/zinc/18/79/19/638187919.db2.gz MRJNJPCGBVWSDY-HAQNSBGRSA-N 2 0 204.317 1.883 20 0 BDADRP C[N@H+](CCOC1CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930458689 639763128 /nfs/dbraw/zinc/76/31/28/639763128.db2.gz DAIMDXHJYYYASY-FUNVUKJBSA-N 2 0 238.375 1.722 20 0 BDADRP CC(C)(C[NH3+])CC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000911766536 639791461 /nfs/dbraw/zinc/79/14/61/639791461.db2.gz GEEXWDNHTQGPHI-GFCCVEGCSA-N 2 0 249.358 1.178 20 0 BDADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCOC1CC1)C2 ZINC000930602289 639817084 /nfs/dbraw/zinc/81/70/84/639817084.db2.gz PGRUFIDUIDXOBX-CQSZACIVSA-N 2 0 238.375 1.583 20 0 BDADRP CCC(CC)(C[NH3+])NC(=O)C[C@H]([NH3+])C(C)(C)C ZINC000911800173 639822619 /nfs/dbraw/zinc/82/26/19/639822619.db2.gz PKCPGRBRBYJJJY-JTQLQIEISA-N 2 0 243.395 1.384 20 0 BDADRP CN(CC(C)(C)C[NH3+])C(=O)C[C@H]([NH3+])C(C)(C)C ZINC000911867695 639853171 /nfs/dbraw/zinc/85/31/71/639853171.db2.gz NRLDEQJGSWRGCF-JTQLQIEISA-N 2 0 243.395 1.193 20 0 BDADRP CC(C)([NH3+])CNC(=O)[C@H]([NH3+])C1CCCCCC1 ZINC000911845028 639854303 /nfs/dbraw/zinc/85/43/03/639854303.db2.gz GAOBMXNTWFTJCU-LLVKDONJSA-N 2 0 241.379 1.138 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)C[C@H]([NH3+])C(C)(C)C ZINC000911880228 639866204 /nfs/dbraw/zinc/86/62/04/639866204.db2.gz KSCGLBBPECNUAR-MNOVXSKESA-N 2 0 243.395 1.384 20 0 BDADRP C[NH+](C)C1(C)CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000931354686 640166987 /nfs/dbraw/zinc/16/69/87/640166987.db2.gz LUPHVZKMMQNULJ-ZDUSSCGKSA-N 2 0 240.391 1.972 20 0 BDADRP C[C@H]1OCC[C@@H]1C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931442126 640207982 /nfs/dbraw/zinc/20/79/82/640207982.db2.gz VLCFXRWZLTUUQN-YIYPIFLZSA-N 2 0 238.375 1.295 20 0 BDADRP CC[C@H](CO)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000931466896 640225955 /nfs/dbraw/zinc/22/59/55/640225955.db2.gz GITHSINTYYNEPG-CYBMUJFWSA-N 2 0 240.391 1.565 20 0 BDADRP CC(C)[C@H]1CN(CC[NH+]2CCCC2)CC[N@@H+]1C ZINC000931549562 640271302 /nfs/dbraw/zinc/27/13/02/640271302.db2.gz FQGOVFOQEWPLMI-CQSZACIVSA-N 2 0 239.407 1.354 20 0 BDADRP CC[NH+]1CCC(C[NH2+]Cc2cnccn2)CC1 ZINC000054766702 640407604 /nfs/dbraw/zinc/40/76/04/640407604.db2.gz LAGPZWOXZBAGND-UHFFFAOYSA-N 2 0 234.347 1.298 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H](C)O ZINC000224234872 640604185 /nfs/dbraw/zinc/60/41/85/640604185.db2.gz XOSLWBJEDOSSKX-WOPDTQHZSA-N 2 0 214.353 1.268 20 0 BDADRP CC(C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000226078907 640726846 /nfs/dbraw/zinc/72/68/46/640726846.db2.gz PNUNUEWIVLRKDC-GRYCIOLGSA-N 2 0 214.353 1.110 20 0 BDADRP CC(C)CC[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933740602 640760402 /nfs/dbraw/zinc/76/04/02/640760402.db2.gz MJNKQVPBKIJAEB-QWHCGFSZSA-N 2 0 210.365 1.916 20 0 BDADRP C[NH2+]C1CC[NH+](CCCCCCO)CC1 ZINC000226421023 640762370 /nfs/dbraw/zinc/76/23/70/640762370.db2.gz QPFBQEPBYPNQIG-UHFFFAOYSA-N 2 0 214.353 1.223 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](CCCCCCO)C1 ZINC000226418773 640762533 /nfs/dbraw/zinc/76/25/33/640762533.db2.gz XKIDBSXYHJMQJA-ZDUSSCGKSA-N 2 0 228.380 1.471 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC000227120044 640816653 /nfs/dbraw/zinc/81/66/53/640816653.db2.gz KWVIECLUTONDHQ-RRFJBIMHSA-N 2 0 248.370 1.827 20 0 BDADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)C3CC3)CC[C@H]21 ZINC000227345084 640829391 /nfs/dbraw/zinc/82/93/91/640829391.db2.gz BRYMXAAMAAUUIW-MGPQQGTHSA-N 2 0 238.375 1.173 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(CO)c1 ZINC000227457142 640833948 /nfs/dbraw/zinc/83/39/48/640833948.db2.gz RZIATJOLLFWXCS-KGLIPLIRSA-N 2 0 234.343 1.396 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(CO)c1 ZINC000227457149 640834633 /nfs/dbraw/zinc/83/46/33/640834633.db2.gz RZIATJOLLFWXCS-UONOGXRCSA-N 2 0 234.343 1.396 20 0 BDADRP CS[C@@H](C)C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000169087252 640840687 /nfs/dbraw/zinc/84/06/87/640840687.db2.gz IGANERBFIMBAMH-UWVGGRQHSA-N 2 0 202.367 1.470 20 0 BDADRP C[NH+]1CCC(C[NH2+]C[C@@H]2CC[C@H](O)C2)CC1 ZINC000227558817 640841289 /nfs/dbraw/zinc/84/12/89/640841289.db2.gz HMZZXXZSTDYZGN-OLZOCXBDSA-N 2 0 226.364 1.079 20 0 BDADRP C[N@H+](CCC[NH3+])C[C@@H](O)c1ccccc1 ZINC000227748464 640846825 /nfs/dbraw/zinc/84/68/25/640846825.db2.gz UHZPIOHNJLCEAD-GFCCVEGCSA-N 2 0 208.305 1.001 20 0 BDADRP CC(C)OCC[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000227767401 640848050 /nfs/dbraw/zinc/84/80/50/640848050.db2.gz FNFHVNCETAGIOQ-RYUDHWBXSA-N 2 0 214.353 1.328 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC1CCSCC1 ZINC000229216464 640933815 /nfs/dbraw/zinc/93/38/15/640933815.db2.gz SCGXFQKVRUYMPM-NWDGAFQWSA-N 2 0 228.405 1.847 20 0 BDADRP COCCC[N@H+](C)C1CCC([NH3+])CC1 ZINC000062031707 641016826 /nfs/dbraw/zinc/01/68/26/641016826.db2.gz PYDCINVYIMWCGP-UHFFFAOYSA-N 2 0 200.326 1.225 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@H]2COC(C)(C)O2)CC1 ZINC000230208431 641036597 /nfs/dbraw/zinc/03/65/97/641036597.db2.gz MBHJNCNLOZKBER-LBPRGKRZSA-N 2 0 242.363 1.212 20 0 BDADRP CO[C@@H]1CCC[N@H+](CCCCCC[NH3+])C1 ZINC000230314853 641048074 /nfs/dbraw/zinc/04/80/74/641048074.db2.gz BEIFTYBCLBRFQU-GFCCVEGCSA-N 2 0 214.353 1.616 20 0 BDADRP C[C@H]1CN(C[C@]2(C)CCC[NH2+]C2)CCO1 ZINC000062861656 641100286 /nfs/dbraw/zinc/10/02/86/641100286.db2.gz ZFHMTKVNHKBDDF-NWDGAFQWSA-N 2 0 212.337 1.097 20 0 BDADRP CC[C@@H]1CN(C[C@]2(C)CCC[NH2+]C2)CCO1 ZINC000062862035 641101468 /nfs/dbraw/zinc/10/14/68/641101468.db2.gz CXFBFPYIRYTJMS-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP COCCC[N@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000062868059 641103700 /nfs/dbraw/zinc/10/37/00/641103700.db2.gz YYAUKVJXEXYGBW-GFCCVEGCSA-N 2 0 214.353 1.344 20 0 BDADRP C[C@H]1C[N@H+](C[C@]2(C)CCC[NH2+]C2)CCCO1 ZINC000062868023 641104113 /nfs/dbraw/zinc/10/41/13/641104113.db2.gz IBSLNQJHMBIJJZ-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP OCc1cc(N2CC[C@H]([NH+]3CCCC3)C2)cc[nH+]1 ZINC000062982112 641113723 /nfs/dbraw/zinc/11/37/23/641113723.db2.gz XGFWSCLXWCJRJS-AWEZNQCLSA-N 2 0 247.342 1.248 20 0 BDADRP Cn1nccc1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000231035318 641127938 /nfs/dbraw/zinc/12/79/38/641127938.db2.gz MMPSGKNJRDOAKP-GXTWGEPZSA-N 2 0 248.374 1.179 20 0 BDADRP COC(C)(C)CC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000231026204 641133617 /nfs/dbraw/zinc/13/36/17/641133617.db2.gz SGEALWIVQDCTEL-RYUDHWBXSA-N 2 0 228.380 1.874 20 0 BDADRP COC(C[NH+]1CCC(CC[NH+](C)C)CC1)OC ZINC000160665312 641178537 /nfs/dbraw/zinc/17/85/37/641178537.db2.gz YWIHOSYCKNUNNY-UHFFFAOYSA-N 2 0 244.379 1.269 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000232148840 641249188 /nfs/dbraw/zinc/24/91/88/641249188.db2.gz MLKGWJCMEIYFBK-UBHSHLNASA-N 2 0 240.391 1.597 20 0 BDADRP C[N@H+](C[C@H](O)CC1CCCC1)CC(C)(C)C[NH3+] ZINC000232148698 641250568 /nfs/dbraw/zinc/25/05/68/641250568.db2.gz NYLCBQNRWWIKQQ-CYBMUJFWSA-N 2 0 242.407 1.844 20 0 BDADRP C(C[C@@H]1CCOC1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000232460120 641285820 /nfs/dbraw/zinc/28/58/20/641285820.db2.gz MMILEWMBEWYHIP-NEPJUHHUSA-N 2 0 212.337 1.002 20 0 BDADRP CC(C)C1(C[NH2+][C@H](C)C[C@H]2COCCN2)CC1 ZINC000232723264 641388143 /nfs/dbraw/zinc/38/81/43/641388143.db2.gz RKGVBDHLTHKTQP-OLZOCXBDSA-N 2 0 240.391 1.779 20 0 BDADRP C(C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)OC1CC1 ZINC000929698139 641405131 /nfs/dbraw/zinc/40/51/31/641405131.db2.gz ZBDDYKOEEFHGHD-CYBMUJFWSA-N 2 0 238.375 1.583 20 0 BDADRP C[NH+](C)C(C)(C)CNC(=O)c1cccc(C[NH3+])c1 ZINC000043411082 641563810 /nfs/dbraw/zinc/56/38/10/641563810.db2.gz UKWRFBHJCBOVEZ-UHFFFAOYSA-N 2 0 249.358 1.215 20 0 BDADRP CC[N@H+](C[C@H]1CCCO1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000233514365 642678860 /nfs/dbraw/zinc/67/88/60/642678860.db2.gz MHCSCHGEZFLNAU-FRRDWIJNSA-N 2 0 226.364 1.343 20 0 BDADRP COCCCC[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000130930617 642894693 /nfs/dbraw/zinc/89/46/93/642894693.db2.gz DDGNSIMMAZUSSF-VXGBXAGGSA-N 2 0 214.353 1.330 20 0 BDADRP CCCNC(=[NH2+])NCC[N@H+](C)C1CCCC1 ZINC000070946490 643086540 /nfs/dbraw/zinc/08/65/40/643086540.db2.gz ZVXRWHYEBZXOIW-UHFFFAOYSA-N 2 0 226.368 1.385 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCC2(C)OCCO2)CC[N@@H+]1C ZINC000183894599 643179212 /nfs/dbraw/zinc/17/92/12/643179212.db2.gz NJQPPFKETHMTLK-NEPJUHHUSA-N 2 0 242.363 1.212 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000306045053 643286428 /nfs/dbraw/zinc/28/64/28/643286428.db2.gz NZUKSULQMLQQSU-OLZOCXBDSA-N 2 0 238.375 1.344 20 0 BDADRP CCCC[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000082485275 643321106 /nfs/dbraw/zinc/32/11/06/643321106.db2.gz GTALDZZIIHKOQZ-UHFFFAOYSA-N 2 0 227.396 1.402 20 0 BDADRP CC[N@H+](C[C@@H]1CCCO1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000233463993 643347475 /nfs/dbraw/zinc/34/74/75/643347475.db2.gz MHCSCHGEZFLNAU-AGIUHOORSA-N 2 0 226.364 1.343 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC000082931364 643390779 /nfs/dbraw/zinc/39/07/79/643390779.db2.gz VVYBWFSZGIEJEC-LLVKDONJSA-N 2 0 205.305 1.252 20 0 BDADRP C(CN1CC[C@@]2(CCC[NH2+]2)C1)[C@@H]1CCC[NH2+]C1 ZINC000334979368 643399022 /nfs/dbraw/zinc/39/90/22/643399022.db2.gz FNXRTTZAJHCAHC-KBPBESRZSA-N 2 0 237.391 1.204 20 0 BDADRP COC[C@H]1CC[N@H+](CCCCCC[NH3+])C1 ZINC000081069482 643493969 /nfs/dbraw/zinc/49/39/69/643493969.db2.gz DUCSUFYHMYHNMA-LBPRGKRZSA-N 2 0 214.353 1.474 20 0 BDADRP COCC[N@H+](CC[C@@H]1CC[NH2+]C1)CC(C)C ZINC000084385360 643660486 /nfs/dbraw/zinc/66/04/86/643660486.db2.gz QLTBRFBKMFHLRT-ZDUSSCGKSA-N 2 0 228.380 1.590 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000050245460 643661401 /nfs/dbraw/zinc/66/14/01/643661401.db2.gz FTGAXWFITNHKGJ-GFCCVEGCSA-N 2 0 232.327 1.402 20 0 BDADRP C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)CC1CCOCC1 ZINC000085015972 643678810 /nfs/dbraw/zinc/67/88/10/643678810.db2.gz NWWIUTQNJPITOD-OLZOCXBDSA-N 2 0 226.364 1.472 20 0 BDADRP CCC(CC)(CO)C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000230220127 643767827 /nfs/dbraw/zinc/76/78/27/643767827.db2.gz MKMJGPIGIBHCDQ-VXGBXAGGSA-N 2 0 228.380 1.502 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CC1CCOCC1 ZINC000415047688 643826556 /nfs/dbraw/zinc/82/65/56/643826556.db2.gz WDCNUIYZFIPRDL-LLVKDONJSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCc2ccccc2CC1 ZINC000079574288 644190846 /nfs/dbraw/zinc/19/08/46/644190846.db2.gz LHFNRLVLYOORDS-CJNGLKHVSA-N 2 0 244.382 1.943 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](CO)C2)CC1(C)C ZINC000923004321 644228828 /nfs/dbraw/zinc/22/88/28/644228828.db2.gz BEIXTJKOEUUDLF-SRVKXCTJSA-N 2 0 226.364 1.220 20 0 BDADRP CNC(NCCC[NH+](C(C)C)C(C)C)=[NH+]C ZINC000080624363 644280566 /nfs/dbraw/zinc/28/05/66/644280566.db2.gz TZFKBHUEAYHYON-UHFFFAOYSA-N 2 0 228.384 1.290 20 0 BDADRP [NH3+]C1CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923278091 644312033 /nfs/dbraw/zinc/31/20/33/644312033.db2.gz YPCGDOJKGWHNHT-QXMXGUDHSA-N 3 0 237.391 1.330 20 0 BDADRP C[NH2+]CC1CC[NH+](C[C@H](O)CCC(C)C)CC1 ZINC000923289974 644321972 /nfs/dbraw/zinc/32/19/72/644321972.db2.gz KOUAXCVQIXCIOO-CQSZACIVSA-N 2 0 242.407 1.715 20 0 BDADRP C[C@@H]1C[C@@H](C)C[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923300254 644326239 /nfs/dbraw/zinc/32/62/39/644326239.db2.gz PEKPPKVIIJJLHL-JHJVBQTASA-N 2 0 238.375 1.343 20 0 BDADRP CN(CCC[NH2+]C1CC1)CC(C)(C)C[NH3+] ZINC000923294098 644329746 /nfs/dbraw/zinc/32/97/46/644329746.db2.gz GXNYPGLUZVHGJD-UHFFFAOYSA-N 2 0 213.369 1.045 20 0 BDADRP CC(C)CC[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923303757 644341052 /nfs/dbraw/zinc/34/10/52/644341052.db2.gz KFLBIKMJFTVGCA-LBPRGKRZSA-N 2 0 226.364 1.343 20 0 BDADRP CC1(C)CC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923312624 644341164 /nfs/dbraw/zinc/34/11/64/644341164.db2.gz KXQNHNZMHQGTAP-NSHDSACASA-N 2 0 224.348 1.097 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)[C@H]1C ZINC000923314230 644342244 /nfs/dbraw/zinc/34/22/44/644342244.db2.gz DVVBLJKXLDDVOO-GRYCIOLGSA-N 2 0 224.348 1.095 20 0 BDADRP C[C@H]([N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1)C1(C)CC1 ZINC000923317215 644343504 /nfs/dbraw/zinc/34/35/04/644343504.db2.gz BZWXJHOWKANBPZ-RYUDHWBXSA-N 2 0 238.375 1.485 20 0 BDADRP C[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)CC(C)(C)C ZINC000923309761 644347804 /nfs/dbraw/zinc/34/78/04/644347804.db2.gz OEMYANXSWQPRPL-NSHDSACASA-N 2 0 226.364 1.343 20 0 BDADRP Cc1ccc([C@H](O)C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000923330774 644348139 /nfs/dbraw/zinc/34/81/39/644348139.db2.gz IOCNDTFWJVXEMD-BPLDGKMQSA-N 2 0 248.370 1.698 20 0 BDADRP CCc1onc(C)c1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000923333060 644354854 /nfs/dbraw/zinc/35/48/54/644354854.db2.gz SYMVVUNUPYKEFP-KOLCDFICSA-N 2 0 237.347 1.715 20 0 BDADRP CCc1ncc(CN2CC[C@@]3(CC[NH2+]C3)C2)o1 ZINC000923332967 644355568 /nfs/dbraw/zinc/35/55/68/644355568.db2.gz YHBNXOJQGDZOMP-CYBMUJFWSA-N 2 0 235.331 1.422 20 0 BDADRP CC(C)CC[C@@H](O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000923331544 644361171 /nfs/dbraw/zinc/36/11/71/644361171.db2.gz LSTZHZUYELFSSK-KGLIPLIRSA-N 2 0 240.391 1.469 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H](O)CCC(C)C)CC[C@@H]1[NH3+] ZINC000923346015 644364065 /nfs/dbraw/zinc/36/40/65/644364065.db2.gz SWQQHKQQXKEVMD-RDBSUJKOSA-N 2 0 242.407 1.843 20 0 BDADRP c1csc(CC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000082303814 644365876 /nfs/dbraw/zinc/36/58/76/644365876.db2.gz IXCOFQANGUOLFT-GHMZBOCLSA-N 2 0 222.357 1.442 20 0 BDADRP [NH3+]CC(C[NH3+])NCCCc1ccc(Cl)cc1 ZINC000923352520 644370009 /nfs/dbraw/zinc/37/00/09/644370009.db2.gz WSKCTGVPYHVKRX-UHFFFAOYSA-N 2 0 241.766 1.148 20 0 BDADRP C[C@H]1CN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1[NH3+] ZINC000923366186 644378069 /nfs/dbraw/zinc/37/80/69/644378069.db2.gz KOCJNCPNTDXLDJ-WYTNZGFTSA-N 2 0 237.391 1.186 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)CN1CCC[NH2+]C1CC1 ZINC000923370160 644380503 /nfs/dbraw/zinc/38/05/03/644380503.db2.gz DDXCQLFFDCPWIV-VXGBXAGGSA-N 2 0 225.380 1.153 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)CN1CCC[NH2+]C1CC1 ZINC000923370158 644380524 /nfs/dbraw/zinc/38/05/24/644380524.db2.gz DDXCQLFFDCPWIV-NWDGAFQWSA-N 2 0 225.380 1.153 20 0 BDADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCCC[NH2+]C1CC1 ZINC000923371720 644384238 /nfs/dbraw/zinc/38/42/38/644384238.db2.gz ZSGKDXFNIXMPEP-NQBHXWOUSA-N 2 0 225.380 1.105 20 0 BDADRP CC(C)CC[C@H](O)C[N@H+](C)C1CC([NH3+])C1 ZINC000923362662 644385301 /nfs/dbraw/zinc/38/53/01/644385301.db2.gz MFABOAFJFZPFPJ-MCIGGMRASA-N 2 0 214.353 1.205 20 0 BDADRP CC(C)CC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000923375871 644388866 /nfs/dbraw/zinc/38/88/66/644388866.db2.gz QUPMPCRLYCOJBJ-MCIONIFRSA-N 2 0 242.407 1.700 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)Cc1ccccc1 ZINC000923382279 644395027 /nfs/dbraw/zinc/39/50/27/644395027.db2.gz BQBALAZRVFCELA-RBSFLKMASA-N 2 0 248.370 1.450 20 0 BDADRP CSC[C@H](O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000923383486 644395898 /nfs/dbraw/zinc/39/58/98/644395898.db2.gz SIJNEXYYHQEOHL-NOOOWODRSA-N 2 0 246.420 1.016 20 0 BDADRP CC(C)CC[C@@H](O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000923388007 644398188 /nfs/dbraw/zinc/39/81/88/644398188.db2.gz QDCDNJGOBRLCOH-CQSZACIVSA-N 2 0 242.407 1.844 20 0 BDADRP CCOCCOCC[NH+]1CCC(CC[NH3+])CC1 ZINC000923385896 644398484 /nfs/dbraw/zinc/39/84/84/644398484.db2.gz FROZBNMXKUHWHT-UHFFFAOYSA-N 2 0 244.379 1.100 20 0 BDADRP C(C[NH2+]C1CC1)C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000923395866 644403286 /nfs/dbraw/zinc/40/32/86/644403286.db2.gz WHIMVXFXPYBSIG-AWEZNQCLSA-N 2 0 238.375 1.631 20 0 BDADRP C[C@@]12COC[C@]1(C)C[N@@H+](CCC[NH2+]C1CC1)C2 ZINC000923393001 644409660 /nfs/dbraw/zinc/40/96/60/644409660.db2.gz XKIMIBMLHJDYOH-OKILXGFUSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)C[C@H]1C[NH3+] ZINC000923410562 644410555 /nfs/dbraw/zinc/41/05/55/644410555.db2.gz IIMHALVLXLUJNJ-BPLDGKMQSA-N 2 0 248.370 1.117 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CN1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923413582 644415653 /nfs/dbraw/zinc/41/56/53/644415653.db2.gz RBGIZTXJNBVCOP-IUKMKKQMSA-N 2 0 237.391 1.329 20 0 BDADRP CC1(C)CC[NH2+]CCN1CCC[NH2+]C1CC1 ZINC000923415439 644416188 /nfs/dbraw/zinc/41/61/88/644416188.db2.gz PTLUTYRIQFBKRN-UHFFFAOYSA-N 2 0 225.380 1.202 20 0 BDADRP C[C@H]1C[C@H]([NH3+])CN1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923413580 644417592 /nfs/dbraw/zinc/41/75/92/644417592.db2.gz RBGIZTXJNBVCOP-FJCXZIGKSA-N 2 0 237.391 1.329 20 0 BDADRP CC1(C)C[C@@H](O)C[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923415165 644417612 /nfs/dbraw/zinc/41/76/12/644417612.db2.gz OVXJDQCYLJGUJQ-GFCCVEGCSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH3+])N(CCC[NH2+]C2CC2)[C@@H]1C ZINC000923424885 644420568 /nfs/dbraw/zinc/42/05/68/644420568.db2.gz UNZJDRARBCPWMC-BZPMIXESSA-N 2 0 239.407 1.576 20 0 BDADRP C[C@H]1CN[C@@H](C)[C@H](C)[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000923437503 644424843 /nfs/dbraw/zinc/42/48/43/644424843.db2.gz SLGUGECBYCAQPS-XUXIUFHCSA-N 2 0 239.407 1.447 20 0 BDADRP C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1CCC[NH2+]C1CC1 ZINC000923435871 644428568 /nfs/dbraw/zinc/42/85/68/644428568.db2.gz LYKXKPSYZJKKKW-SRVKXCTJSA-N 2 0 225.380 1.199 20 0 BDADRP c1ccc(CCCN2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000923465064 644443998 /nfs/dbraw/zinc/44/39/98/644443998.db2.gz WUMQTOOMINOVOF-UHFFFAOYSA-N 2 0 247.386 1.114 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000923478517 644455643 /nfs/dbraw/zinc/45/56/43/644455643.db2.gz DCDPDLPWIOTFBN-STQMWFEESA-N 2 0 238.375 1.616 20 0 BDADRP Cc1conc1C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923488074 644461483 /nfs/dbraw/zinc/46/14/83/644461483.db2.gz CZZLHSAKUZTYKD-MWLCHTKSSA-N 2 0 223.320 1.400 20 0 BDADRP C[C@@H]1C[N@H+](C/C=C/Cl)CC[C@@H]1C[NH3+] ZINC000923495427 644463361 /nfs/dbraw/zinc/46/33/61/644463361.db2.gz VKROSHKGTMTVDJ-QWZJGYIASA-N 2 0 202.729 1.656 20 0 BDADRP Cc1conc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923488076 644463428 /nfs/dbraw/zinc/46/34/28/644463428.db2.gz CZZLHSAKUZTYKD-ONGXEEELSA-N 2 0 223.320 1.400 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000923484135 644463803 /nfs/dbraw/zinc/46/38/03/644463803.db2.gz WISURWIBQBXAOF-CYBMUJFWSA-N 3 0 225.380 1.047 20 0 BDADRP Cc1cnccc1C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923490289 644465746 /nfs/dbraw/zinc/46/57/46/644465746.db2.gz MINIEARGFDZINX-OLZOCXBDSA-N 2 0 233.359 1.807 20 0 BDADRP C[C@@H]1C[N@H+](CCOC(F)F)CC[C@@H]1C[NH3+] ZINC000923490321 644466076 /nfs/dbraw/zinc/46/60/76/644466076.db2.gz MTXGLYDQUNKYHR-RKDXNWHRSA-N 2 0 222.279 1.142 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CCCCO2)CC[C@@H]1C[NH3+] ZINC000923489849 644466216 /nfs/dbraw/zinc/46/62/16/644466216.db2.gz MECNTGHIISYAEK-JHJVBQTASA-N 2 0 226.364 1.472 20 0 BDADRP C[C@@H]1C[N@H+](Cc2coc(C3CC3)n2)CC[C@@H]1C[NH3+] ZINC000923492630 644466910 /nfs/dbraw/zinc/46/69/10/644466910.db2.gz YATVIFPPBOBGQK-ZYHUDNBSSA-N 2 0 249.358 1.969 20 0 BDADRP Cc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)nc(C)n1 ZINC000923492692 644467669 /nfs/dbraw/zinc/46/76/69/644467669.db2.gz CAHMSHVSMKXWBA-GWCFXTLKSA-N 2 0 248.374 1.510 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@@H]1C[NH3+] ZINC000923491872 644468789 /nfs/dbraw/zinc/46/87/89/644468789.db2.gz KBVFYUQEKFPXMP-LPWJVIDDSA-N 3 0 225.380 1.031 20 0 BDADRP Cc1cc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)ncn1 ZINC000923493492 644469929 /nfs/dbraw/zinc/46/99/29/644469929.db2.gz HFJMTEISVLECLT-CMPLNLGQSA-N 2 0 234.347 1.202 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cccnc2)CC[C@@H]1C[NH3+] ZINC000923501992 644470548 /nfs/dbraw/zinc/47/05/48/644470548.db2.gz VFHCPKDVZLWQPY-DGCLKSJQSA-N 2 0 219.332 1.498 20 0 BDADRP Cc1nc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cs1 ZINC000923499408 644472438 /nfs/dbraw/zinc/47/24/38/644472438.db2.gz KIJXZCVSNFQDNU-ONGXEEELSA-N 2 0 239.388 1.868 20 0 BDADRP Cc1nc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)oc1C ZINC000923497332 644473871 /nfs/dbraw/zinc/47/38/71/644473871.db2.gz DPKAQBSNTURWLZ-JOYOIKCWSA-N 2 0 237.347 1.708 20 0 BDADRP OCC[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923505900 644475583 /nfs/dbraw/zinc/47/55/83/644475583.db2.gz DGGPFAODBYRITI-LBPRGKRZSA-N 2 0 226.364 1.080 20 0 BDADRP CO[C@H](C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)C1CCC1 ZINC000923516232 644479114 /nfs/dbraw/zinc/47/91/14/644479114.db2.gz WEVXTSBAFMPSQU-BFHYXJOUSA-N 2 0 238.375 1.343 20 0 BDADRP OC[C@H]1CCCCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000923530971 644486854 /nfs/dbraw/zinc/48/68/54/644486854.db2.gz OCRJQFXBUPEATQ-CHWSQXEVSA-N 2 0 226.364 1.223 20 0 BDADRP C[C@@H](CCCO)[NH2+]CC1CC[NH+](C)CC1 ZINC000087358204 644489522 /nfs/dbraw/zinc/48/95/22/644489522.db2.gz QEBGMFRXTHPFNS-NSHDSACASA-N 2 0 214.353 1.079 20 0 BDADRP [NH3+]CCCN1C[C@H](CC[NH3+])c2ccccc21 ZINC000923556630 644500259 /nfs/dbraw/zinc/50/02/59/644500259.db2.gz XSQVNGVWQHGHST-NSHDSACASA-N 2 0 219.332 1.288 20 0 BDADRP C[NH+](C)[C@H]1CCCN(c2cc[nH+]c(CO)c2)C1 ZINC000091391635 644623981 /nfs/dbraw/zinc/62/39/81/644623981.db2.gz BUOGDNYPNDFSHH-ZDUSSCGKSA-N 2 0 235.331 1.104 20 0 BDADRP CCCCOC(=O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000091847208 644640655 /nfs/dbraw/zinc/64/06/55/644640655.db2.gz SJHVPNLYMNLLHA-UHFFFAOYSA-N 2 0 242.363 1.531 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCCO1 ZINC000251024805 644789449 /nfs/dbraw/zinc/78/94/49/644789449.db2.gz FQKLHZGOCVIWSP-XQQFMLRXSA-N 2 0 226.364 1.663 20 0 BDADRP C[C@H](CN[C@H]1CCC[C@H]1C[NH3+])[NH+]1CCCCC1 ZINC000251142240 644794873 /nfs/dbraw/zinc/79/48/73/644794873.db2.gz WMSHLBIWJVKXNF-RDBSUJKOSA-N 2 0 239.407 1.578 20 0 BDADRP CN1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000796749570 644813191 /nfs/dbraw/zinc/81/31/91/644813191.db2.gz YSEKCVPOPPREMU-DGAVXFQQSA-N 2 0 237.391 1.153 20 0 BDADRP Cc1cc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)nc(N)[nH+]1 ZINC000252672819 644875651 /nfs/dbraw/zinc/87/56/51/644875651.db2.gz CZBHGXOQQSNSSI-QWRGUYRKSA-N 2 0 247.346 1.406 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)CC[NH+](C)C)[C@H]1OC ZINC000252764809 644902900 /nfs/dbraw/zinc/90/29/00/644902900.db2.gz FMTDPCMDEJXUML-WUHRBBMRSA-N 2 0 244.379 1.109 20 0 BDADRP [NH3+]CCCc1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000843226889 645274936 /nfs/dbraw/zinc/27/49/36/645274936.db2.gz NWRSMXQFDSRUQW-UHFFFAOYSA-N 2 0 243.270 1.276 20 0 BDADRP FCC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843388570 645289329 /nfs/dbraw/zinc/28/93/29/645289329.db2.gz RZJYODKVCHNQSH-MNOVXSKESA-N 2 0 200.301 1.277 20 0 BDADRP C[C@@H]1[C@@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)CO[C@H]1C ZINC000926574361 645293112 /nfs/dbraw/zinc/29/31/12/645293112.db2.gz WEGOCYRXPYUKPE-XUXIUFHCSA-N 2 0 240.391 1.731 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CC12CC2 ZINC000926619070 645320909 /nfs/dbraw/zinc/32/09/09/645320909.db2.gz WVUQWHGLKHCTIH-PSIUFMSWSA-N 2 0 206.333 1.469 20 0 BDADRP COC1(OC)CC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000926666154 645343804 /nfs/dbraw/zinc/34/38/04/645343804.db2.gz QVWMBJYCPLOXDC-TUAOUCFPSA-N 2 0 242.363 1.068 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccnnc1 ZINC000926664968 645344239 /nfs/dbraw/zinc/34/42/39/645344239.db2.gz ADRVTOXROUORDR-WZRBSPASSA-N 2 0 234.347 1.467 20 0 BDADRP C[C@@H]([NH2+][C@H]1C[C@H](O)C1)c1cccc(C[NH+](C)C)c1 ZINC000926734171 645393071 /nfs/dbraw/zinc/39/30/71/645393071.db2.gz XBHPCYRIAQZWSA-KCPJHIHWSA-N 2 0 248.370 1.922 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@]1(C)CCOC1 ZINC000925488733 645521160 /nfs/dbraw/zinc/52/11/60/645521160.db2.gz VOUBUOMWWIEFRR-PWSUYJOCSA-N 2 0 212.337 1.143 20 0 BDADRP CCC[C@H](O)CC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000927028214 645525258 /nfs/dbraw/zinc/52/52/58/645525258.db2.gz PXTLCDLCVISCIG-AWEZNQCLSA-N 2 0 242.407 2.000 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](CO)C2)[C@@H]2CCC[C@@H]21 ZINC000927145783 645569237 /nfs/dbraw/zinc/56/92/37/645569237.db2.gz BSZCCDXLUBVNHK-PEDHHIEDSA-N 2 0 238.375 1.220 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](CO)C2)[C@H]2CCC[C@@H]21 ZINC000927145786 645570831 /nfs/dbraw/zinc/57/08/31/645570831.db2.gz BSZCCDXLUBVNHK-POQQGIQPSA-N 2 0 238.375 1.220 20 0 BDADRP COC[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925492230 645669156 /nfs/dbraw/zinc/66/91/56/645669156.db2.gz XHAJYCUTWYLVBS-GARJFASQSA-N 2 0 214.353 1.517 20 0 BDADRP CC[NH+](CC)CCN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925501040 645944076 /nfs/dbraw/zinc/94/40/76/645944076.db2.gz GVOBAVNKCFWGRT-CYBMUJFWSA-N 2 0 239.407 1.593 20 0 BDADRP CC[C@H](CO)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000929275587 646054870 /nfs/dbraw/zinc/05/48/70/646054870.db2.gz KDBBMTXBEFGECG-CQSZACIVSA-N 2 0 240.391 1.565 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCCO1 ZINC000924541023 646060902 /nfs/dbraw/zinc/06/09/02/646060902.db2.gz AGSCJIWISZFGCM-FXJUQPSGSA-N 2 0 224.348 1.095 20 0 BDADRP C[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccnnc1 ZINC000924648596 646086602 /nfs/dbraw/zinc/08/66/02/646086602.db2.gz MFVAUZWVLVHGHH-NWDGAFQWSA-N 2 0 246.358 1.612 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000723627473 711527115 /nfs/dbraw/zinc/52/71/15/711527115.db2.gz DDAMORYRZBKPML-MROQNXINSA-N 2 0 226.364 1.376 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000924762400 646102112 /nfs/dbraw/zinc/10/21/12/646102112.db2.gz SUWPBRRXEGSCQD-ZBBUEOHVSA-N 2 0 238.375 1.220 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ncco1 ZINC000924962706 646144320 /nfs/dbraw/zinc/14/43/20/646144320.db2.gz FZEOPGWFXUPGGW-JTQLQIEISA-N 2 0 223.320 1.667 20 0 BDADRP Cc1nc(C)c(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)o1 ZINC000723633074 711527752 /nfs/dbraw/zinc/52/77/52/711527752.db2.gz JBBMOOBFZALIEV-LBPRGKRZSA-N 2 0 237.347 1.852 20 0 BDADRP CCC[C@H](O)C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925482525 646295589 /nfs/dbraw/zinc/29/55/89/646295589.db2.gz NEJFRQDQHDSJJL-TUAOUCFPSA-N 2 0 228.380 1.643 20 0 BDADRP Cc1ccc([C@@H](O)CN[C@H]2CC[NH2+]C2(C)C)cc1 ZINC000925489943 646298687 /nfs/dbraw/zinc/29/86/87/646298687.db2.gz BFEMFTILXWIYMB-KBPBESRZSA-N 2 0 248.370 1.759 20 0 BDADRP C[C@H]([NH3+])[C@@H](N[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000925488929 646299204 /nfs/dbraw/zinc/29/92/04/646299204.db2.gz WJRCIFVWELWFGT-FPMFFAJLSA-N 2 0 233.359 1.369 20 0 BDADRP C[C@H]([NH2+][C@H]1CNCCOC1)C1CCCC1 ZINC000925488869 646299560 /nfs/dbraw/zinc/29/95/60/646299560.db2.gz MXJMXXDOZOYZHL-JQWIXIFHSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H](O)CC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925498472 646302322 /nfs/dbraw/zinc/30/23/22/646302322.db2.gz GLKFBZKAUZMMLR-DCAQKATOSA-N 2 0 214.353 1.253 20 0 BDADRP CSCC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925504194 646306009 /nfs/dbraw/zinc/30/60/09/646306009.db2.gz KWEMDHVEBCRUPF-VHSXEESVSA-N 2 0 216.394 1.845 20 0 BDADRP C[C@H](O)C[C@H](C)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925511186 646308544 /nfs/dbraw/zinc/30/85/44/646308544.db2.gz IGRAQTHYBAQFQN-SRVKXCTJSA-N 2 0 226.364 1.268 20 0 BDADRP CC(C)OCCC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925506905 646308697 /nfs/dbraw/zinc/30/86/97/646308697.db2.gz UJNAPPDPTSNYPI-NSHDSACASA-N 2 0 214.353 1.532 20 0 BDADRP CSC(C)(C)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925526887 646311280 /nfs/dbraw/zinc/31/12/80/646311280.db2.gz KZJSPCWMNSBXCF-VIFPVBQESA-N 2 0 216.394 1.858 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925519889 646313311 /nfs/dbraw/zinc/31/33/11/646313311.db2.gz KEXVINQMZPIRQM-OLZOCXBDSA-N 3 0 241.423 1.824 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCCn1cccn1 ZINC000925533354 646319355 /nfs/dbraw/zinc/31/93/55/646319355.db2.gz LXQHQWJIKOZTTI-NSHDSACASA-N 2 0 222.336 1.003 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000925536537 646322403 /nfs/dbraw/zinc/32/24/03/646322403.db2.gz FSSXDOLPTYGABM-DGCLKSJQSA-N 2 0 237.391 1.201 20 0 BDADRP C[C@H](C[C@@H]1CCOC1)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925551606 646329355 /nfs/dbraw/zinc/32/93/55/646329355.db2.gz CGPRXPCFOUGNTJ-VOAKCMCISA-N 2 0 238.375 1.661 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(F)cn1 ZINC000925559843 646336439 /nfs/dbraw/zinc/33/64/39/646336439.db2.gz KNSIFYJNKSWNIC-CNGMEFBOSA-N 2 0 249.333 1.826 20 0 BDADRP CCOCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925564076 646337413 /nfs/dbraw/zinc/33/74/13/646337413.db2.gz XJMODRGMZZQBLK-KGLIPLIRSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@H](CC(N)=O)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925575171 646342117 /nfs/dbraw/zinc/34/21/17/646342117.db2.gz VEIUFXZYSWZRJI-YPMHNXCESA-N 2 0 249.358 1.320 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]C1CCSCC1 ZINC000925590046 646348220 /nfs/dbraw/zinc/34/82/20/646348220.db2.gz DQMIAHNIYSSPRR-JTQLQIEISA-N 2 0 214.378 1.612 20 0 BDADRP CC(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925604118 646354729 /nfs/dbraw/zinc/35/47/29/646354729.db2.gz HTJORNCUTFHXEC-AVGNSLFASA-N 2 0 240.391 1.778 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+][C@H]2CC[C@H](CO)CC2)C12CCC2 ZINC000925613422 646362289 /nfs/dbraw/zinc/36/22/89/646362289.db2.gz CWWSXYMXCWZYNG-CYDGBPFRSA-N 2 0 238.375 1.397 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCCF)C1 ZINC000925619375 646367881 /nfs/dbraw/zinc/36/78/81/646367881.db2.gz MZAJUIXOBVWDDT-VHSXEESVSA-N 2 0 202.317 1.842 20 0 BDADRP C1=CC[C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925620635 646367940 /nfs/dbraw/zinc/36/79/40/646367940.db2.gz WKRJHEFQRJHHRE-NEPJUHHUSA-N 2 0 206.333 1.969 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C2(C)C)CCO1 ZINC000925631157 646375757 /nfs/dbraw/zinc/37/57/57/646375757.db2.gz SWDPTUNMPQCKAY-MXWKQRLJSA-N 2 0 212.337 1.284 20 0 BDADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925636805 646379467 /nfs/dbraw/zinc/37/94/67/646379467.db2.gz UUIZMGLSHSYOMH-UTUOFQBUSA-N 2 0 226.364 1.532 20 0 BDADRP CC1(C)C[C@@H]([NH2+]CC[C@H]2CCOC2)C[C@@H]([NH3+])C1 ZINC000925637873 646381680 /nfs/dbraw/zinc/38/16/80/646381680.db2.gz UHVYBIJJKRVPGU-XQQFMLRXSA-N 2 0 240.391 1.909 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]CCOCC2CCC2)C12CCC2 ZINC000925639711 646383389 /nfs/dbraw/zinc/38/33/89/646383389.db2.gz MWRMYYPQXJVJAH-STQMWFEESA-N 2 0 238.375 1.663 20 0 BDADRP CO[C@H](C)C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925644904 646386636 /nfs/dbraw/zinc/38/66/36/646386636.db2.gz MXQOPHBVVVXYMH-MXWKQRLJSA-N 2 0 214.353 1.517 20 0 BDADRP CC(C)(O)CC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925646451 646387072 /nfs/dbraw/zinc/38/70/72/646387072.db2.gz UYSADFLVBHBFKV-WOPDTQHZSA-N 2 0 240.391 1.514 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925646965 646387493 /nfs/dbraw/zinc/38/74/93/646387493.db2.gz YNMACCAQSUVXRF-LNFKQOIKSA-N 2 0 212.337 1.269 20 0 BDADRP O[C@@H]1CC[C@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000925648562 646388953 /nfs/dbraw/zinc/38/89/53/646388953.db2.gz CJINERYQAVOTLH-TUAOUCFPSA-N 2 0 224.348 1.022 20 0 BDADRP O[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925648561 646389473 /nfs/dbraw/zinc/38/94/73/646389473.db2.gz CJINERYQAVOTLH-QJPTWQEYSA-N 2 0 224.348 1.022 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CC(F)(F)C1 ZINC000925651920 646392685 /nfs/dbraw/zinc/39/26/85/646392685.db2.gz LIIOFVIFFVCWMC-REMFIFCHSA-N 2 0 230.302 1.890 20 0 BDADRP C[C@H](O)CCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925655738 646393792 /nfs/dbraw/zinc/39/37/92/646393792.db2.gz HCHMUJRPUTTYJX-RYUDHWBXSA-N 2 0 226.364 1.412 20 0 BDADRP C[C@@H]1COCC[C@H]1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925670544 646399978 /nfs/dbraw/zinc/39/99/78/646399978.db2.gz LXNGXPSMGPSITR-AGIUHOORSA-N 2 0 238.375 1.533 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+][C@@H]2CCCOC2)C1 ZINC000925669213 646400547 /nfs/dbraw/zinc/40/05/47/646400547.db2.gz RARCWEWMCZTOLB-QJPTWQEYSA-N 2 0 226.364 1.661 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CC2=CCOCC2)C1 ZINC000925677894 646406768 /nfs/dbraw/zinc/40/67/68/646406768.db2.gz AJVVDOVXXPVFOP-QWHCGFSZSA-N 2 0 238.375 1.829 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CC2=CCOCC2)C1 ZINC000925677896 646407619 /nfs/dbraw/zinc/40/76/19/646407619.db2.gz AJVVDOVXXPVFOP-STQMWFEESA-N 2 0 238.375 1.829 20 0 BDADRP C[C@H](CCO)CC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925682089 646408548 /nfs/dbraw/zinc/40/85/48/646408548.db2.gz ZYXHZWSEUWBBSA-RWMBFGLXSA-N 2 0 242.407 1.891 20 0 BDADRP C[C@@H](CCCCO)[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925681529 646409073 /nfs/dbraw/zinc/40/90/73/646409073.db2.gz ZQAWEEZGKOKWKF-WDEREUQCSA-N 2 0 214.353 1.268 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H](NCC[NH2+]C2CC2)C1 ZINC000925690750 646413395 /nfs/dbraw/zinc/41/33/95/646413395.db2.gz GYMQSGYUNRGNEB-ZYHUDNBSSA-N 2 0 225.380 1.234 20 0 BDADRP C([NH2+][C@H]1CC[NH2+]C12CCC2)[C@@H]1C[C@H]1C1CC1 ZINC000925688596 646414280 /nfs/dbraw/zinc/41/42/80/646414280.db2.gz FFPJAXGXGKRPED-AVGNSLFASA-N 2 0 220.360 1.907 20 0 BDADRP C[NH2+]CCCN[C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925689207 646414699 /nfs/dbraw/zinc/41/46/99/646414699.db2.gz HLBYFIXGMJZPCV-DGCLKSJQSA-N 2 0 221.348 1.274 20 0 BDADRP CC(C)[NH2+]CCCN[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925689531 646416720 /nfs/dbraw/zinc/41/67/20/646416720.db2.gz BLPMFWOYJJWEEH-STQMWFEESA-N 2 0 241.423 1.870 20 0 BDADRP C(C[NH2+]C1CC1)N[C@H]1CC[NH2+]C12CCCC2 ZINC000925691822 646418068 /nfs/dbraw/zinc/41/80/68/646418068.db2.gz KBAKFSVKOAZLRZ-LBPRGKRZSA-N 2 0 223.364 1.003 20 0 BDADRP C(N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1CCCC[NH2+]1 ZINC000925693150 646418346 /nfs/dbraw/zinc/41/83/46/646418346.db2.gz OUAPTQGFOBPWDY-NWDGAFQWSA-N 2 0 223.364 1.003 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)C1 ZINC000925694156 646420147 /nfs/dbraw/zinc/42/01/47/646420147.db2.gz QYVXLPNCPMGFBR-JHJVBQTASA-N 3 0 239.407 1.482 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@@H](NCCC[NH2+]C2CC2)C1 ZINC000925706608 646431363 /nfs/dbraw/zinc/43/13/63/646431363.db2.gz NJNQHBRVRMBSFT-WCQYABFASA-N 2 0 239.407 1.624 20 0 BDADRP C[C@@H]([NH3+])[C@@H](NCC1([NH3+])CCCC1)c1ccccc1 ZINC000925710252 646433853 /nfs/dbraw/zinc/43/38/53/646433853.db2.gz JBTRBSHOGICKBB-TZMCWYRMSA-N 2 0 247.386 1.936 20 0 BDADRP C(C[NH2+][C@@H]1CC[NH2+]C12CCC2)C[C@@H]1CCC[NH2+]1 ZINC000925710719 646434877 /nfs/dbraw/zinc/43/48/77/646434877.db2.gz QRBNPCFDQLESOH-QWHCGFSZSA-N 3 0 237.391 1.393 20 0 BDADRP CC1(C)C[C@@H](N[C@@H]2CCCC[NH2+]C2)C[C@@H]([NH3+])C1 ZINC000925710096 646435021 /nfs/dbraw/zinc/43/50/21/646435021.db2.gz WEUDWODCWABLBN-UPJWGTAASA-N 2 0 239.407 1.624 20 0 BDADRP CO[C@@H](C)C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925711570 646436051 /nfs/dbraw/zinc/43/60/51/646436051.db2.gz MXQOPHBVVVXYMH-AXFHLTTASA-N 2 0 214.353 1.517 20 0 BDADRP Nc1cccc(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925711959 646436175 /nfs/dbraw/zinc/43/61/75/646436175.db2.gz GPGULYHWKJJBMM-CHWSQXEVSA-N 2 0 231.343 1.628 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925712874 646438016 /nfs/dbraw/zinc/43/80/16/646438016.db2.gz VSNCXXJERYPJEL-IJLUTSLNSA-N 3 0 227.396 1.609 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925717855 646442583 /nfs/dbraw/zinc/44/25/83/646442583.db2.gz IGNNBKFRDOCPBX-IRCOFANPSA-N 2 0 225.380 1.232 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1N[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925717779 646442632 /nfs/dbraw/zinc/44/26/32/646442632.db2.gz IBJSWJADWPAAQB-QWQWKMKNSA-N 2 0 237.391 1.103 20 0 BDADRP FC1(F)C[C@H]1CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925720068 646443740 /nfs/dbraw/zinc/44/37/40/646443740.db2.gz FDOLMKSWGRXABI-ZJUUUORDSA-N 2 0 230.302 1.906 20 0 BDADRP C[C@H]([NH3+])[C@H](N[C@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1 ZINC000925720094 646444616 /nfs/dbraw/zinc/44/46/16/646444616.db2.gz WFHPNSQIDYVLRB-DHMWGJHJSA-N 2 0 247.386 1.805 20 0 BDADRP C([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925727186 646451988 /nfs/dbraw/zinc/45/19/88/646451988.db2.gz NGNKMPSYTBNNOF-XJFOESAGSA-N 3 0 249.402 1.391 20 0 BDADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000925726550 646452158 /nfs/dbraw/zinc/45/21/58/646452158.db2.gz JJSBHNJZCZMKCX-UGEYFSKZSA-N 3 0 237.391 1.219 20 0 BDADRP COCC1CC([NH2+][C@H]2CC[NH2+]C2(C)C)C1 ZINC000925727486 646452357 /nfs/dbraw/zinc/45/23/57/646452357.db2.gz GAKYGMPWAJPMHY-ILDUYXDCSA-N 2 0 212.337 1.142 20 0 BDADRP CC1(C)CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[NH3+])OC1 ZINC000925729876 646454141 /nfs/dbraw/zinc/45/41/41/646454141.db2.gz ACNAJSKSTCXJBZ-IJLUTSLNSA-N 2 0 226.364 1.661 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CC1(CC2CC2)CC1 ZINC000925733182 646456472 /nfs/dbraw/zinc/45/64/72/646456472.db2.gz GTLBISMHCRVELT-CYBMUJFWSA-N 2 0 240.391 1.910 20 0 BDADRP C[C@@H](N)[C@H]([NH2+]CC1CC([NH3+])C1)c1ccccc1 ZINC000925732638 646456863 /nfs/dbraw/zinc/45/68/63/646456863.db2.gz ZHEBSTXFQFSEGY-UZRPSVAASA-N 2 0 233.359 1.402 20 0 BDADRP C[C@@H]([NH2+]CC(C)(C)CC(F)F)C1C[NH2+]C1 ZINC000925733043 646457034 /nfs/dbraw/zinc/45/70/34/646457034.db2.gz FJISOADSACXTBP-MRVPVSSYSA-N 2 0 220.307 1.865 20 0 BDADRP CC(C)([NH3+])CCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000925736263 646460203 /nfs/dbraw/zinc/46/02/03/646460203.db2.gz DURLTHBXBZEXIM-MNOVXSKESA-N 3 0 213.369 1.363 20 0 BDADRP C[N@@H+]1CC[C@H](NCCC(C)(C)[NH3+])[C@@H]2CCC[C@@H]21 ZINC000925738050 646460331 /nfs/dbraw/zinc/46/03/31/646460331.db2.gz MGXQLYKTMJONFF-AVGNSLFASA-N 2 0 239.407 1.576 20 0 BDADRP CCn1cc([C@@H](C)[NH2+]CCC(C)(C)[NH3+])cn1 ZINC000925740993 646462097 /nfs/dbraw/zinc/46/20/97/646462097.db2.gz LSNXEFLBEJQAAJ-SNVBAGLBSA-N 2 0 224.352 1.681 20 0 BDADRP CCC1([NH3+])CCN([C@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925758231 646463615 /nfs/dbraw/zinc/46/36/15/646463615.db2.gz AVDZUVQGSLOPKH-RYUDHWBXSA-N 2 0 237.391 1.460 20 0 BDADRP Nc1cc[nH+]c(CN[C@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925768084 646469339 /nfs/dbraw/zinc/46/93/39/646469339.db2.gz SFUGGVMWHYEDCY-RYUDHWBXSA-N 2 0 232.331 1.023 20 0 BDADRP Nc1cc[nH+]c(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000925769928 646470757 /nfs/dbraw/zinc/47/07/57/646470757.db2.gz CYNCBHULOLCHAV-GXTWGEPZSA-N 2 0 246.358 1.380 20 0 BDADRP [NH3+]C1CCC([NH2+]C[C@H]2CC3(CCC3)CO2)CC1 ZINC000925771502 646471638 /nfs/dbraw/zinc/47/16/38/646471638.db2.gz BPJGXKFWXJIIDC-WXRRBKDZSA-N 2 0 238.375 1.805 20 0 BDADRP COC[C@H](C)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000925771659 646473475 /nfs/dbraw/zinc/47/34/75/646473475.db2.gz ZLKMLBNGOOHDOG-VHSXEESVSA-N 2 0 237.347 1.534 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000925779208 646477747 /nfs/dbraw/zinc/47/77/47/646477747.db2.gz ICESJGGNPANLAT-MBJXGIAVSA-N 2 0 238.375 1.389 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)[C@H]1CCCO1 ZINC000925781586 646477919 /nfs/dbraw/zinc/47/79/19/646477919.db2.gz IPJUMMLGFYJGSW-GARJFASQSA-N 2 0 248.317 1.388 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[NH2+]CCC2(F)F)CCO1 ZINC000925782489 646479195 /nfs/dbraw/zinc/47/91/95/646479195.db2.gz LWJMRPGEUMFRNK-GMTAPVOTSA-N 2 0 248.317 1.388 20 0 BDADRP Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H]1C[NH2+]C[C@H]1C ZINC000925786707 646482776 /nfs/dbraw/zinc/48/27/76/646482776.db2.gz VDVOHIOMPJTHOC-GLXFQSAKSA-N 2 0 248.374 1.107 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000925786571 646482988 /nfs/dbraw/zinc/48/29/88/646482988.db2.gz UKGLTJTULISSIH-JFGNBEQYSA-N 2 0 234.347 1.232 20 0 BDADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@@H]1C[NH2+]C[C@H]1C ZINC000925786737 646483406 /nfs/dbraw/zinc/48/34/06/646483406.db2.gz VRKHEVJUYKGMAQ-AYRXBEOTSA-N 2 0 247.386 1.142 20 0 BDADRP CC[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCOC1 ZINC000925795711 646487085 /nfs/dbraw/zinc/48/70/85/646487085.db2.gz IDHFIVDXCOGLRN-AAVRWANBSA-N 2 0 240.391 1.637 20 0 BDADRP C[C@H](CCCCO)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925800271 646487312 /nfs/dbraw/zinc/48/73/12/646487312.db2.gz YAAVECKDGNJEEN-JHJVBQTASA-N 2 0 228.380 1.373 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)C1 ZINC000925832197 646500895 /nfs/dbraw/zinc/50/08/95/646500895.db2.gz RHLJOSNBAREITP-MRTXSQPYSA-N 2 0 236.359 1.437 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925840583 646506874 /nfs/dbraw/zinc/50/68/74/646506874.db2.gz MUCAXMIHBVISLO-WUHRBBMRSA-N 2 0 225.380 1.234 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925841532 646508693 /nfs/dbraw/zinc/50/86/93/646508693.db2.gz PTWSLLFRUQHSEM-XJFOESAGSA-N 2 0 237.391 1.106 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCS[C@H](C)C1 ZINC000925855460 646511315 /nfs/dbraw/zinc/51/13/15/646511315.db2.gz CMYGGRUWKMQEOK-UTUOFQBUSA-N 2 0 246.420 1.614 20 0 BDADRP COC[C@@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)C(C)C ZINC000925874161 646523614 /nfs/dbraw/zinc/52/36/14/646523614.db2.gz OUHCTNFYGZGFIB-YNEHKIRRSA-N 2 0 228.380 1.635 20 0 BDADRP COC[C@H](C[NH2+][C@H]1CCC[C@H]1[NH3+])C(C)C ZINC000925874709 646525697 /nfs/dbraw/zinc/52/56/97/646525697.db2.gz UTYLRLISTRQMQU-TUAOUCFPSA-N 2 0 214.353 1.374 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cccnc1 ZINC000925874968 646525920 /nfs/dbraw/zinc/52/59/20/646525920.db2.gz ANQGJSVAGYWSMM-WZRBSPASSA-N 2 0 219.332 1.860 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000925877758 646527252 /nfs/dbraw/zinc/52/72/52/646527252.db2.gz WVIJTNDAGWIFLT-NEPJUHHUSA-N 3 0 225.380 1.188 20 0 BDADRP CO[C@@H](C)[C@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925876483 646527380 /nfs/dbraw/zinc/52/73/80/646527380.db2.gz ZJGGLTHFISDTGE-MMWGEVLESA-N 2 0 200.326 1.127 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cncs1 ZINC000925876434 646527617 /nfs/dbraw/zinc/52/76/17/646527617.db2.gz XVEOMBITQWEFCJ-BBBLOLIVSA-N 2 0 225.361 1.921 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cnccn1 ZINC000925877114 646528229 /nfs/dbraw/zinc/52/82/29/646528229.db2.gz LOMVVAFBCDAAJU-MXWKQRLJSA-N 2 0 220.320 1.255 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+]C2CCN(C3CC3)CC2)C1 ZINC000925879775 646528792 /nfs/dbraw/zinc/52/87/92/646528792.db2.gz KRIOSWRZQIFORS-NWDGAFQWSA-N 2 0 237.391 1.330 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000925879559 646529160 /nfs/dbraw/zinc/52/91/60/646529160.db2.gz HXRKASGEUBVQJM-YVECIDJPSA-N 2 0 226.364 1.661 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879960 646529259 /nfs/dbraw/zinc/52/92/59/646529259.db2.gz NBGKTBJHKBMNDR-VOAKCMCISA-N 3 0 225.380 1.221 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCC[NH2+]C1 ZINC000925879349 646529612 /nfs/dbraw/zinc/52/96/12/646529612.db2.gz BUNRQMRJRSLYNZ-RNJOBUHISA-N 3 0 225.380 1.092 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCOCC(F)F ZINC000926255398 646605299 /nfs/dbraw/zinc/60/52/99/646605299.db2.gz QJEXYQMKLLXVNU-DHHPTOIESA-N 2 0 248.317 1.198 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCCCO ZINC000926329115 646617674 /nfs/dbraw/zinc/61/76/74/646617674.db2.gz WAIZPVJZQFQHRS-FUNVUKJBSA-N 2 0 226.364 1.079 20 0 BDADRP Cc1nocc1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723703185 711535255 /nfs/dbraw/zinc/53/52/55/711535255.db2.gz KZNQOXISQFWJAR-SNVBAGLBSA-N 2 0 209.293 1.154 20 0 BDADRP C[C@H](c1cnccn1)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723713679 711535848 /nfs/dbraw/zinc/53/58/48/711535848.db2.gz XITKVNZDOJCZLD-MNOVXSKESA-N 2 0 220.320 1.208 20 0 BDADRP CCCCOCC[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723907469 711545229 /nfs/dbraw/zinc/54/52/29/711545229.db2.gz LOJCDIJVYXPUJA-CHWSQXEVSA-N 2 0 228.380 1.720 20 0 BDADRP C[C@@H]1CCC[N@H+](CCN[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000925548644 711700250 /nfs/dbraw/zinc/70/02/50/711700250.db2.gz DAWAOHMLOFEQCR-MGPQQGTHSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H](CN[C@@H]1CCC[NH2+][C@H]1C)[N@H+](C)C1CC1 ZINC000396713661 711703418 /nfs/dbraw/zinc/70/34/18/711703418.db2.gz QKQQMLYGQAXFRN-GMXVVIOVSA-N 2 0 225.380 1.199 20 0 BDADRP CC[C@H](O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397291401 711705267 /nfs/dbraw/zinc/70/52/67/711705267.db2.gz AIBHNLYKEOBXGU-RHYQMDGZSA-N 2 0 214.353 1.063 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000925830975 711759517 /nfs/dbraw/zinc/75/95/17/711759517.db2.gz HMUYAQIOYKEIDQ-UYXSQOIJSA-N 2 0 224.270 1.900 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1C[C@@H](O)CC(C)(C)C1 ZINC000879622189 711770956 /nfs/dbraw/zinc/77/09/56/711770956.db2.gz IVJRZULEFHURKF-STQMWFEESA-N 2 0 240.391 1.564 20 0 BDADRP CC(C)C[C@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000721920803 711937170 /nfs/dbraw/zinc/93/71/70/711937170.db2.gz JIJOKRCWBOKTSU-LBPRGKRZSA-N 2 0 227.396 1.434 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000702447380 712053546 /nfs/dbraw/zinc/05/35/46/712053546.db2.gz WXRDQWUACWSMMW-MELADBBJSA-N 2 0 239.407 1.243 20 0 BDADRP CC(C)CCCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000703998015 712098999 /nfs/dbraw/zinc/09/89/99/712098999.db2.gz KMKZXMULKQKQSO-STQMWFEESA-N 2 0 210.365 1.964 20 0 BDADRP CCO[C@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000706544525 712149011 /nfs/dbraw/zinc/14/90/11/712149011.db2.gz RTRQJIUTTAMPNA-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP CSC1CC([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000706928689 712161591 /nfs/dbraw/zinc/16/15/91/712161591.db2.gz MPLDTRGPHLGYHX-XSRFYTQQSA-N 2 0 240.416 1.954 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC000708321757 712186261 /nfs/dbraw/zinc/18/62/61/712186261.db2.gz ACGBIZUZPUCNGT-XQQFMLRXSA-N 2 0 240.391 1.861 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC000708333196 712188069 /nfs/dbraw/zinc/18/80/69/712188069.db2.gz UTOVGSAJNCNORB-VXGBXAGGSA-N 2 0 226.364 1.343 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC000708338109 712189222 /nfs/dbraw/zinc/18/92/22/712189222.db2.gz REWYFXMKEPDTOI-QJPTWQEYSA-N 2 0 226.364 1.471 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@@H]1CCSC1)[NH2+]2 ZINC000709430951 712221791 /nfs/dbraw/zinc/22/17/91/712221791.db2.gz QFIZJMKIQNFVGG-IYKVGLELSA-N 2 0 226.389 1.611 20 0 BDADRP CC(C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709791547 712227360 /nfs/dbraw/zinc/22/73/60/712227360.db2.gz CBAWWBCUWDSMBP-HTQZYQBOSA-N 2 0 210.243 1.464 20 0 BDADRP C[N@H+](CCCCCC[NH3+])Cc1cn[nH]c1 ZINC000710713287 712255031 /nfs/dbraw/zinc/25/50/31/712255031.db2.gz GGNXLSHGVGSZON-UHFFFAOYSA-N 2 0 210.325 1.361 20 0 BDADRP CC[C@]1(O)CCC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000710639369 712264451 /nfs/dbraw/zinc/26/44/51/712264451.db2.gz DLAKGOBLHJZAOZ-AWEZNQCLSA-N 2 0 240.391 1.565 20 0 BDADRP COC1(OC)CC[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000710965317 712269779 /nfs/dbraw/zinc/26/97/79/712269779.db2.gz YFCAGTHMVCJMOE-NSHDSACASA-N 2 0 230.352 1.069 20 0 BDADRP FC[C@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000711456068 712304982 /nfs/dbraw/zinc/30/49/82/712304982.db2.gz QXPJOGYJCXAGLC-NWDGAFQWSA-N 2 0 214.328 1.668 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000712379211 712428826 /nfs/dbraw/zinc/42/88/26/712428826.db2.gz SLDNXJJSRVIOSQ-RFQIPJPRSA-N 2 0 240.391 1.909 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000712687664 712440455 /nfs/dbraw/zinc/44/04/55/712440455.db2.gz VLLCDOMFNRAAIR-UHTWSYAYSA-N 2 0 208.349 1.703 20 0 BDADRP C[N@@H+]1CCN(C[C@H]([NH3+])CC(F)F)CCC1(C)C ZINC000712670569 712440310 /nfs/dbraw/zinc/44/03/10/712440310.db2.gz LCYSBGAYLNNEEL-SNVBAGLBSA-N 2 0 249.349 1.385 20 0 BDADRP CC1(C)CC[C@H](C[N@@H+]2CC[C@H](CC[NH3+])C2)OC1 ZINC000713597988 712465878 /nfs/dbraw/zinc/46/58/78/712465878.db2.gz XFJLLBSZHJKWCM-QWHCGFSZSA-N 2 0 240.391 1.862 20 0 BDADRP C=C/C=C\CC[NH+]1CCC([NH2+]CCO)CC1 ZINC000713757059 712472061 /nfs/dbraw/zinc/47/20/61/712472061.db2.gz DLFOBGCFGQFFTD-ARJAWSKDSA-N 2 0 224.348 1.165 20 0 BDADRP C[NH+](C)C1(C)CCC([NH2+]CC2(C)COC2)CC1 ZINC000715514178 712524959 /nfs/dbraw/zinc/52/49/59/712524959.db2.gz UJCXFJXTDLUKOP-UHFFFAOYSA-N 2 0 240.391 1.875 20 0 BDADRP CC1(C)CO[C@H](CC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000717282041 712644605 /nfs/dbraw/zinc/64/46/05/712644605.db2.gz FWZOXMFFAWVCDN-JHJVBQTASA-N 2 0 240.391 1.909 20 0 BDADRP CC1(C)CO[C@H](CC[NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000717282050 712644643 /nfs/dbraw/zinc/64/46/43/712644643.db2.gz FWZOXMFFAWVCDN-YNEHKIRRSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CC(C)(C)CO1)C1C[NH2+]C1 ZINC000717356904 712650191 /nfs/dbraw/zinc/65/01/91/712650191.db2.gz BCQUPTVHXZQQID-ZYHUDNBSSA-N 2 0 226.364 1.389 20 0 BDADRP O[C@@H](C[NH2+]C1(C2CC2)CCC1)C[NH+]1CCCC1 ZINC000717820339 712681380 /nfs/dbraw/zinc/68/13/80/712681380.db2.gz UYWBCCUXFLTRJD-ZDUSSCGKSA-N 2 0 238.375 1.365 20 0 BDADRP CC(F)(F)CCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000718721333 712778641 /nfs/dbraw/zinc/77/86/41/712778641.db2.gz GJSLTZAEDARGBZ-UWVGGRQHSA-N 2 0 218.291 1.573 20 0 BDADRP COCC(C)(C)CC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000718793710 712784158 /nfs/dbraw/zinc/78/41/58/712784158.db2.gz XCCVMNBDENQOEB-VXGBXAGGSA-N 2 0 228.380 1.766 20 0 BDADRP C[C@@H]1CC[C@H]1[NH2+]CCCC[NH+]1CCOCC1 ZINC000381524189 710649852 /nfs/dbraw/zinc/64/98/52/710649852.db2.gz VXDSOXFMIWLRAQ-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP COC[C@H](C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1)C(C)C ZINC000721767207 710685398 /nfs/dbraw/zinc/68/53/98/710685398.db2.gz FKGQIYREGLFNSS-MCIONIFRSA-N 2 0 242.407 1.822 20 0 BDADRP [NH3+]CCC[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000723630072 710730057 /nfs/dbraw/zinc/73/00/57/710730057.db2.gz VSRLDGUYJWPNQZ-SDDRHHMPSA-N 2 0 212.337 1.130 20 0 BDADRP C[C@@H]1C[C@H](C)CC[N@H+](C[C@H]2CNCCO2)C1 ZINC000723784752 710731267 /nfs/dbraw/zinc/73/12/67/710731267.db2.gz YMUGVAXBZHYYPH-JHJVBQTASA-N 2 0 226.364 1.343 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@H]2CCCCO2)C[C@H]1CC[NH3+] ZINC000723886566 710732485 /nfs/dbraw/zinc/73/24/85/710732485.db2.gz LCWMPMUNRLHXSQ-MGPQQGTHSA-N 2 0 240.391 1.862 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)O1 ZINC000723887721 710733421 /nfs/dbraw/zinc/73/34/21/710733421.db2.gz WWIDUBUTGXIHPO-FDYHWXHSSA-N 2 0 226.364 1.471 20 0 BDADRP C1CCC([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000382117202 710794353 /nfs/dbraw/zinc/79/43/53/710794353.db2.gz FTQKWNLVVBCPFA-XZPDDHLCSA-N 2 0 206.333 1.515 20 0 BDADRP C[C@H]1[NH2+]CCC[C@H]1N[C@@H](CO)Cc1ccccc1 ZINC000396715158 710907558 /nfs/dbraw/zinc/90/75/58/710907558.db2.gz SQJYIWCODCKEKO-BPLDGKMQSA-N 2 0 248.370 1.320 20 0 BDADRP CC(C)OCC[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000133085189 710967753 /nfs/dbraw/zinc/96/77/53/710967753.db2.gz FNFHVNCETAGIOQ-NWDGAFQWSA-N 2 0 214.353 1.328 20 0 BDADRP C([C@H]1CCC[NH2+]1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000382528349 710972770 /nfs/dbraw/zinc/97/27/70/710972770.db2.gz BMLMZRSUJVJQHC-KGLIPLIRSA-N 2 0 237.391 1.299 20 0 BDADRP CC1(C)CC[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000380594745 712901920 /nfs/dbraw/zinc/90/19/20/712901920.db2.gz TUQPVZGRPNZNFF-GFCCVEGCSA-N 2 0 225.380 1.188 20 0 BDADRP [NH3+][C@H](CC(F)F)CN1CCC2(C1)CCOCC2 ZINC000383448199 710982119 /nfs/dbraw/zinc/98/21/19/710982119.db2.gz JDRRUIULMFIUOT-SNVBAGLBSA-N 2 0 248.317 1.471 20 0 BDADRP C(C[NH+]1CCCCC1)N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000385547806 711014885 /nfs/dbraw/zinc/01/48/85/711014885.db2.gz WFDAYFSEVOIWDX-LXFSFDBISA-N 2 0 249.402 1.058 20 0 BDADRP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H](C)O ZINC000386796077 711036951 /nfs/dbraw/zinc/03/69/51/711036951.db2.gz PFZSUTHMTQJBBA-ZZIFITQXSA-N 2 0 226.364 1.361 20 0 BDADRP C[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C1CCC1 ZINC000392838468 711153071 /nfs/dbraw/zinc/15/30/71/711153071.db2.gz PAMKMLHUDATVDK-ZNPZWULMSA-N 2 0 220.360 1.761 20 0 BDADRP CC[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C(C)(C)O ZINC000394011760 711181904 /nfs/dbraw/zinc/18/19/04/711181904.db2.gz DKTWHTBDLFAUCB-MCDVFOBDSA-N 2 0 238.375 1.122 20 0 BDADRP CC(C)[C@@H](CO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000394062342 711183371 /nfs/dbraw/zinc/18/33/71/711183371.db2.gz PGLKEBQSZAUXKN-RLAWYHOSSA-N 2 0 240.391 1.466 20 0 BDADRP CC[NH+](CC)CCCN[C@@H]1CCC[NH2+][C@@H]1C ZINC000396591806 711359026 /nfs/dbraw/zinc/35/90/26/711359026.db2.gz CQCSWZYPMWYADK-CHWSQXEVSA-N 2 0 227.396 1.448 20 0 BDADRP CCC[N@H+](CC)CCN[C@H]1CCC[NH2+][C@@H]1C ZINC000396678041 711365199 /nfs/dbraw/zinc/36/51/99/711365199.db2.gz USEKGHZMXKFUCG-OLZOCXBDSA-N 2 0 227.396 1.448 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+]C[C@@]2(C)CCC[NH2+]C2)O1 ZINC000398133834 711402088 /nfs/dbraw/zinc/40/20/88/711402088.db2.gz WSHGMDFUJKYXQB-UPJWGTAASA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CCN1CCOC(F)F ZINC000398185537 711404195 /nfs/dbraw/zinc/40/41/95/711404195.db2.gz OMPLBVDEVJZRDC-SFYZADRCSA-N 2 0 208.252 1.037 20 0 BDADRP C[N@H+](CC[C@@H]1CC1(Cl)Cl)C1CC([NH3+])C1 ZINC000399441625 711430648 /nfs/dbraw/zinc/43/06/48/711430648.db2.gz WFNIYLSXVQZUMD-AFPNSQJFSA-N 2 0 237.174 1.992 20 0 BDADRP CC[C@H](O)CCC[NH2+]CC1CC[NH+](C)CC1 ZINC000398569251 711412030 /nfs/dbraw/zinc/41/20/30/711412030.db2.gz NXLKEICCVYEEAN-ZDUSSCGKSA-N 2 0 228.380 1.469 20 0 BDADRP COC[C@H](C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C)C(C)C ZINC000721915867 710690929 /nfs/dbraw/zinc/69/09/29/710690929.db2.gz VXMGPVUWCBEYEA-SRVKXCTJSA-N 2 0 214.353 1.327 20 0 BDADRP COC[C@H](C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1)C(C)C ZINC000721963724 710693611 /nfs/dbraw/zinc/69/36/11/710693611.db2.gz LDXYPUIHVWRJTG-RDBSUJKOSA-N 2 0 242.407 1.822 20 0 BDADRP CC[NH+]1CCC([NH2+]Cc2cc[nH]c(=O)c2)CC1 ZINC000392634562 711149845 /nfs/dbraw/zinc/14/98/45/711149845.db2.gz LKMFXRJILBAJGU-UHFFFAOYSA-N 2 0 235.331 1.361 20 0 BDADRP CC[C@H](C)[C@H](CN[C@H]1CCC[NH2+][C@@H]1C)OC ZINC000396724011 711365244 /nfs/dbraw/zinc/36/52/44/711365244.db2.gz VBIYEYQZLVQXMJ-RNJOBUHISA-N 2 0 228.380 1.778 20 0 BDADRP C[C@@H](CN[C@H]1CCC[NH2+][C@H]1C)[N@H+](C)C1CC1 ZINC000396713664 711366423 /nfs/dbraw/zinc/36/64/23/711366423.db2.gz QKQQMLYGQAXFRN-GVXVVHGQSA-N 2 0 225.380 1.199 20 0 BDADRP C[N@H+](C[C@H](O)C[NH3+])C[C@@H]1CC2CCC1CC2 ZINC000399890464 711436376 /nfs/dbraw/zinc/43/63/76/711436376.db2.gz JBIZPRHXYXEUJG-IFWUJCSASA-N 2 0 226.364 1.064 20 0 BDADRP CCN1CC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000712557932 711472824 /nfs/dbraw/zinc/47/28/24/711472824.db2.gz OWGAEQBBDADNTN-YNEHKIRRSA-N 2 0 225.380 1.153 20 0 BDADRP C[C@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000720418086 711478443 /nfs/dbraw/zinc/47/84/43/711478443.db2.gz XFTUPHSVMUXHLE-TUAOUCFPSA-N 2 0 212.337 1.225 20 0 BDADRP CC[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H](C)O1 ZINC000717922904 711492710 /nfs/dbraw/zinc/49/27/10/711492710.db2.gz NWBIXSVGGSETND-NDBYEHHHSA-N 2 0 226.364 1.613 20 0 BDADRP CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000723122565 711506105 /nfs/dbraw/zinc/50/61/05/711506105.db2.gz QSQFDQZFABLETF-NDBYEHHHSA-N 2 0 210.365 1.949 20 0 BDADRP Cc1cn(C)nc1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000723495393 711513147 /nfs/dbraw/zinc/51/31/47/711513147.db2.gz PRDLJUOJPVXADK-UHFFFAOYSA-N 2 0 236.363 1.430 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](Cc2cccc(O)c2)C1 ZINC000235709045 711524546 /nfs/dbraw/zinc/52/45/46/711524546.db2.gz OGTSCOZTQSQGSZ-CYBMUJFWSA-N 2 0 220.316 1.563 20 0 BDADRP C([NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000723647499 711529905 /nfs/dbraw/zinc/52/99/05/711529905.db2.gz QCCLSNZBVLQAGV-DGAVXFQQSA-N 2 0 238.375 1.533 20 0 BDADRP C1CC([NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)CC[NH2+]1 ZINC000723648566 711530352 /nfs/dbraw/zinc/53/03/52/711530352.db2.gz VROGWZWZKJEUOG-YRGRVCCFSA-N 2 0 238.375 1.533 20 0 BDADRP CC(C)n1cc(C[N@@H+]2CC[C@H](CC[NH3+])C2)cn1 ZINC000723668807 711533028 /nfs/dbraw/zinc/53/30/28/711533028.db2.gz DGCQKUUPLDSYRZ-LBPRGKRZSA-N 2 0 236.363 1.635 20 0 BDADRP CCc1nn(C)cc1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723670525 711533187 /nfs/dbraw/zinc/53/31/87/711533187.db2.gz UJUCJDDZHNRKSD-LLVKDONJSA-N 2 0 236.363 1.153 20 0 BDADRP COc1ccc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)cn1 ZINC000723671197 711533281 /nfs/dbraw/zinc/53/32/81/711533281.db2.gz XYUAFOIPYAHFDV-LLVKDONJSA-N 2 0 235.331 1.261 20 0 BDADRP Cc1cc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)on1 ZINC000723691785 711533923 /nfs/dbraw/zinc/53/39/23/711533923.db2.gz URUYQBNLXSKNHT-SNVBAGLBSA-N 2 0 209.293 1.154 20 0 BDADRP Cc1ncsc1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723713676 711536112 /nfs/dbraw/zinc/53/61/12/711536112.db2.gz XITHKGCKKLUOHU-JTQLQIEISA-N 2 0 225.361 1.622 20 0 BDADRP CC[C@@H]1C[C@H]1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723890667 711543887 /nfs/dbraw/zinc/54/38/87/711543887.db2.gz HSZGZBGZXLDPKS-LPWJVIDDSA-N 2 0 210.365 1.949 20 0 BDADRP Cc1cn(C)nc1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000723966407 711548241 /nfs/dbraw/zinc/54/82/41/711548241.db2.gz YUMQODRUSZHPFK-NSHDSACASA-N 2 0 236.363 1.288 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CCC1CC=CC1 ZINC000724203261 711569164 /nfs/dbraw/zinc/56/91/64/711569164.db2.gz QPJSOMCTUZNRBP-ZDUSSCGKSA-N 2 0 226.364 1.686 20 0 BDADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCO[C@H]1CCOC1 ZINC000724926556 711629454 /nfs/dbraw/zinc/62/94/54/711629454.db2.gz RQODRJAJFNZKHV-STQMWFEESA-N 2 0 244.379 1.097 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCc2ccns2)C1 ZINC000719829713 711676079 /nfs/dbraw/zinc/67/60/79/711676079.db2.gz CFOKNPCSPWMWIG-ZJUUUORDSA-N 2 0 225.361 1.355 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](C[C@H](O)CC2CCCC2)C1 ZINC000310082814 711703091 /nfs/dbraw/zinc/70/30/91/711703091.db2.gz KQPKKVWPTIBQOL-ZIAGYGMSSA-N 2 0 240.391 1.598 20 0 BDADRP [NH3+]CCC[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccccc1 ZINC000925700941 711710575 /nfs/dbraw/zinc/71/05/75/711710575.db2.gz XQFWMKTZCICUAX-CABCVRRESA-N 3 0 247.386 1.794 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCOCCF)C1 ZINC000925715809 711713015 /nfs/dbraw/zinc/71/30/15/711713015.db2.gz HVIMTBYALOGUKK-WDEREUQCSA-N 2 0 232.343 1.468 20 0 BDADRP c1[nH]nc2c1[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)CCC2 ZINC000335018337 711719729 /nfs/dbraw/zinc/71/97/29/711719729.db2.gz FQYAERKMPQBKEO-JQWIXIFHSA-N 2 0 234.347 1.376 20 0 BDADRP C([NH2+][C@@H]1CCO[C@H]1C1CC1)C1CC[NH2+]CC1 ZINC000232564446 711760873 /nfs/dbraw/zinc/76/08/73/711760873.db2.gz KBUGZMKUXWHZRA-OLZOCXBDSA-N 2 0 224.348 1.143 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCCCCCO ZINC000236260860 711761590 /nfs/dbraw/zinc/76/15/90/711761590.db2.gz HJZAQTYHJLTYEH-STQMWFEESA-N 2 0 228.380 1.646 20 0 BDADRP C([NH2+][C@H]1CCC[NH2+]CC1)[C@]12C[C@H]1CCC2 ZINC000925879811 711762037 /nfs/dbraw/zinc/76/20/37/711762037.db2.gz COLOTGUFWMSPJH-AGIUHOORSA-N 2 0 208.349 1.908 20 0 BDADRP C[C@H]1COCC[C@H]1C[NH2+]CC1CC[NH+](C)CC1 ZINC000894420286 711771450 /nfs/dbraw/zinc/77/14/50/711771450.db2.gz QENSAKPPACRZOP-JSGCOSHPSA-N 2 0 240.391 1.590 20 0 BDADRP CNC(=O)c1ccc(C[NH2+]CCC(C)(C)[NH3+])cc1 ZINC000380666196 711773049 /nfs/dbraw/zinc/77/30/49/711773049.db2.gz JHETZGDUIPFXAU-UHFFFAOYSA-N 2 0 249.358 1.263 20 0 BDADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000227708886 711832580 /nfs/dbraw/zinc/83/25/80/711832580.db2.gz ANHRISKKBFTKIY-IACUBPJLSA-N 2 0 234.343 1.532 20 0 BDADRP CSC(C)(C)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000229083629 711837477 /nfs/dbraw/zinc/83/74/77/711837477.db2.gz JRXIILWDKHKWQQ-VHSXEESVSA-N 2 0 216.394 1.988 20 0 BDADRP Cc1nn(C)cc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229067707 711837261 /nfs/dbraw/zinc/83/72/61/711837261.db2.gz ZLEKLXWBQOGAES-PWSUYJOCSA-N 2 0 236.363 1.145 20 0 BDADRP COCC[N@H+](CCF)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000700383990 711991507 /nfs/dbraw/zinc/99/15/07/711991507.db2.gz GHHDPTDSMTWNQT-NWDGAFQWSA-N 2 0 232.343 1.292 20 0 BDADRP C[N@@H+]1CCCC[C@H](C[NH2+]C[C@H]2CCCOC2)C1 ZINC000700819913 712007165 /nfs/dbraw/zinc/00/71/65/712007165.db2.gz VZDMRZJXJLUGKI-ZIAGYGMSSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000701019084 712012239 /nfs/dbraw/zinc/01/22/39/712012239.db2.gz LIFJUDNSRUJQMB-CZXHOFHRSA-N 2 0 240.391 1.730 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+]C2CCC(C)(O)CC2)C1 ZINC000703008231 712063944 /nfs/dbraw/zinc/06/39/44/712063944.db2.gz HLUGSJDXCOVBQG-HSBZDZAISA-N 2 0 240.391 1.611 20 0 BDADRP COC1CC(C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)C1 ZINC000703155149 712066633 /nfs/dbraw/zinc/06/66/33/712066633.db2.gz BCGNAHINEUNTIT-TVUZUIDESA-N 2 0 212.337 1.127 20 0 BDADRP C[N@@H+]1CC[C@H](N[C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000703534739 712077971 /nfs/dbraw/zinc/07/79/71/712077971.db2.gz LYJLVFDMTFCKSB-QNWHQSFQSA-N 2 0 237.391 1.057 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000703619359 712081229 /nfs/dbraw/zinc/08/12/29/712081229.db2.gz QRGGMOWFICLVLB-CZXHOFHRSA-N 2 0 240.391 1.514 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C1CCC(C)(O)CC1 ZINC000703602979 712081735 /nfs/dbraw/zinc/08/17/35/712081735.db2.gz AXFZGUBXUQNBJE-CPCZMJQVSA-N 2 0 244.379 1.024 20 0 BDADRP COC1CC(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000703855411 712090895 /nfs/dbraw/zinc/09/08/95/712090895.db2.gz LUKKIOZBLHVARG-BPCQOVAHSA-N 2 0 224.348 1.097 20 0 BDADRP C[C@H](F)CC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000705760595 712137121 /nfs/dbraw/zinc/13/71/21/712137121.db2.gz HRKUWOSJMJTQTF-AEJSXWLSSA-N 2 0 200.301 1.594 20 0 BDADRP CCOC[C@H]1CC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000708285120 712185694 /nfs/dbraw/zinc/18/56/94/712185694.db2.gz DZCZMTXJUXQPFY-KBPBESRZSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC000708321755 712186664 /nfs/dbraw/zinc/18/66/64/712186664.db2.gz ACGBIZUZPUCNGT-RWMBFGLXSA-N 2 0 240.391 1.861 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC000708322815 712187092 /nfs/dbraw/zinc/18/70/92/712187092.db2.gz HTLNNJBODGNBGS-OLZOCXBDSA-N 2 0 240.391 1.733 20 0 BDADRP C[N@H+](C[C@@H]1CC(C)(C)CO1)C1CC[NH2+]CC1 ZINC000708333216 712188134 /nfs/dbraw/zinc/18/81/34/712188134.db2.gz VEAFNPSMPRSVMR-LBPRGKRZSA-N 2 0 226.364 1.485 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)C1 ZINC000708678806 712196402 /nfs/dbraw/zinc/19/64/02/712196402.db2.gz BCGNAHINEUNTIT-YTWAJWBKSA-N 2 0 212.337 1.127 20 0 BDADRP CC1(C)C[C@@H](C[N@@H+]2CC[C@@H](C[NH3+])C2)C(C)(C)O1 ZINC000709687396 712215521 /nfs/dbraw/zinc/21/55/21/712215521.db2.gz PRRAMGNZXOOCNC-RYUDHWBXSA-N 2 0 240.391 1.861 20 0 BDADRP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+]C1CC(F)(F)C1)[NH2+]2 ZINC000709476773 712222624 /nfs/dbraw/zinc/22/26/24/712222624.db2.gz NFDBZDOMIHCAFF-HLFFCZDVSA-N 2 0 230.302 1.903 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+]C1CC(F)(F)C1)[NH2+]2 ZINC000709476774 712222699 /nfs/dbraw/zinc/22/26/99/712222699.db2.gz NFDBZDOMIHCAFF-JZSSXWJLSA-N 2 0 230.302 1.903 20 0 BDADRP CC[N@H+](CCC(=O)OC)CC1CC[NH+](C)CC1 ZINC000709481570 712222836 /nfs/dbraw/zinc/22/28/36/712222836.db2.gz HJBOXYRRTRBLAU-UHFFFAOYSA-N 2 0 242.363 1.213 20 0 BDADRP C[C@@H]1CC[C@@H](C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)O1 ZINC000709789046 712226758 /nfs/dbraw/zinc/22/67/58/712226758.db2.gz GAZYNNXUQWRZSC-RDBSUJKOSA-N 2 0 238.375 1.629 20 0 BDADRP c1n[nH]cc1CC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709787832 712226782 /nfs/dbraw/zinc/22/67/82/712226782.db2.gz BKOCNKHVWZAVKZ-ZDUSSCGKSA-N 2 0 234.347 1.028 20 0 BDADRP COCC(C)(C)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709847692 712229464 /nfs/dbraw/zinc/22/94/64/712229464.db2.gz BFQSGXSMTZEZHW-AWEZNQCLSA-N 2 0 240.391 1.735 20 0 BDADRP c1cc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)sn1 ZINC000709914356 712232970 /nfs/dbraw/zinc/23/29/70/712232970.db2.gz BPNSVLIWDSRIDP-ZACCUICWSA-N 2 0 237.372 1.558 20 0 BDADRP CC[C@H](C)NC(=O)C[N@H+](C)CCCCCC[NH3+] ZINC000710749608 712255239 /nfs/dbraw/zinc/25/52/39/712255239.db2.gz IVNJTSSUFNTOCL-LBPRGKRZSA-N 2 0 243.395 1.352 20 0 BDADRP C[C@@H]1COC[C@H]1[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000710878218 712260803 /nfs/dbraw/zinc/26/08/03/712260803.db2.gz YZDFCQHKTVCPAE-ZYHUDNBSSA-N 2 0 240.391 1.920 20 0 BDADRP C[C@]1(C[N@@H+]2CCC[C@H](CF)C2)CC[NH2+]C1 ZINC000711454817 712304302 /nfs/dbraw/zinc/30/43/02/712304302.db2.gz NKDZCOTZKJSTFP-NEPJUHHUSA-N 2 0 214.328 1.668 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711540645 712309435 /nfs/dbraw/zinc/30/94/35/712309435.db2.gz DYPGFSUSMYGFIS-TXEJJXNPSA-N 2 0 226.389 1.281 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](CCOC2CC2)CC1 ZINC000711730972 712320185 /nfs/dbraw/zinc/32/01/85/712320185.db2.gz KSCNVDRPAATYFR-JTQLQIEISA-N 2 0 212.337 1.225 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCOC2CC2)C1 ZINC000711734117 712320881 /nfs/dbraw/zinc/32/08/81/712320881.db2.gz YHZCOBCERANOFQ-WDEREUQCSA-N 2 0 212.337 1.225 20 0 BDADRP C[N@H+](CCOC1CC1)C1CCC([NH3+])CC1 ZINC000711732284 712321104 /nfs/dbraw/zinc/32/11/04/712321104.db2.gz PTXYMJGGEYHDDG-UHFFFAOYSA-N 2 0 212.337 1.367 20 0 BDADRP C[C@@H]1C[C@@H](C)[N@H+](CCOC2CC2)C[C@H]1C[NH3+] ZINC000711783847 712329550 /nfs/dbraw/zinc/32/95/50/712329550.db2.gz BOZDMWNANXTNAS-IJLUTSLNSA-N 2 0 226.364 1.471 20 0 BDADRP CCC[C@@]1([NH2+]CC2CC[NH+](C)CC2)CCOC1 ZINC000378786673 712361332 /nfs/dbraw/zinc/36/13/32/712361332.db2.gz PJCZZORZIWKGAU-CQSZACIVSA-N 2 0 240.391 1.877 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000712438266 712429703 /nfs/dbraw/zinc/42/97/03/712429703.db2.gz NURBPEZGRWNXPL-STQMWFEESA-N 2 0 238.375 1.759 20 0 BDADRP C([C@@H]1CCC2(CCC2)O1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000712440301 712429766 /nfs/dbraw/zinc/42/97/66/712429766.db2.gz ZYROTDPSNNIOME-XQQFMLRXSA-N 2 0 236.359 1.239 20 0 BDADRP CN(C[C@@H]1CCC2(CCC2)O1)C1(C[NH3+])CCC1 ZINC000712487933 712431516 /nfs/dbraw/zinc/43/15/16/712431516.db2.gz SSZXCFFHNLCFNA-LBPRGKRZSA-N 2 0 238.375 1.901 20 0 BDADRP CCN1CC[C@@H]1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000712586523 712434510 /nfs/dbraw/zinc/43/45/10/712434510.db2.gz MIQJHDKOMJFGGD-GXTWGEPZSA-N 2 0 239.407 1.401 20 0 BDADRP C[N@@H+]1CCN(CC(C)(C)[NH3+])CCC1(C)C ZINC000712602372 712436757 /nfs/dbraw/zinc/43/67/57/712436757.db2.gz DUTHYFNLYKLFEY-UHFFFAOYSA-N 2 0 213.369 1.140 20 0 BDADRP C[C@@H]([NH3+])CN(C)CCCOC(F)(F)F ZINC000713399358 712459057 /nfs/dbraw/zinc/45/90/57/712459057.db2.gz YAKYDJFIQQFCLH-SSDOTTSWSA-N 2 0 214.231 1.192 20 0 BDADRP CC1(C)CC[C@@H](C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)OC1 ZINC000713585572 712465946 /nfs/dbraw/zinc/46/59/46/712465946.db2.gz JTJCUVSMYUWJGE-XQQFMLRXSA-N 2 0 238.375 1.343 20 0 BDADRP C=C/C=C\CC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000713749522 712471212 /nfs/dbraw/zinc/47/12/12/712471212.db2.gz QQLUNSIUBFGHFI-NQHOJNORSA-N 2 0 235.375 1.098 20 0 BDADRP CC1(C)CCC[C@H](C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)O1 ZINC000714375491 712484662 /nfs/dbraw/zinc/48/46/62/712484662.db2.gz UWWMAPULBGFDEZ-FRRDWIJNSA-N 2 0 238.375 1.485 20 0 BDADRP CC[C@H](O)C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714431878 712486263 /nfs/dbraw/zinc/48/62/63/712486263.db2.gz VBONHFXHQOCBCA-LBPRGKRZSA-N 2 0 228.380 1.454 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000714607171 712488391 /nfs/dbraw/zinc/48/83/91/712488391.db2.gz VMGYQAGMNXPKJI-AAVRWANBSA-N 2 0 238.375 1.628 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000714700818 712495639 /nfs/dbraw/zinc/49/56/39/712495639.db2.gz PXRYQQCFCFMZGX-ZDEQEGDKSA-N 2 0 226.364 1.519 20 0 BDADRP CC(C)C1CC([NH2+]CCN2CCC([NH3+])CC2)C1 ZINC000714739881 712496889 /nfs/dbraw/zinc/49/68/89/712496889.db2.gz BSIVOPAABRTEPW-UHFFFAOYSA-N 2 0 239.407 1.434 20 0 BDADRP C[N@H+](CCOCC[NH3+])CC[C@@H]1C[C@H]1C1CC1 ZINC000714833231 712500924 /nfs/dbraw/zinc/50/09/24/712500924.db2.gz TUBWMEBQTZSCGF-OLZOCXBDSA-N 2 0 226.364 1.330 20 0 BDADRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cc[nH]c(=O)c2)C1 ZINC000715217477 712513635 /nfs/dbraw/zinc/51/36/35/712513635.db2.gz HXTIMBWDOPAQKC-STQMWFEESA-N 2 0 249.358 1.750 20 0 BDADRP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CC[NH2+]C2)CC1 ZINC000715489065 712522735 /nfs/dbraw/zinc/52/27/35/712522735.db2.gz CIUIXHDANKQURO-OTTFEQOBSA-N 3 0 225.380 1.201 20 0 BDADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cnccn1 ZINC000715511901 712524739 /nfs/dbraw/zinc/52/47/39/712524739.db2.gz XRAWYFSCFYPUTG-HIFPTAJRSA-N 2 0 248.374 2.000 20 0 BDADRP CC[C@@H]1COC[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000715567452 712528554 /nfs/dbraw/zinc/52/85/54/712528554.db2.gz DZZHXCYAXUMNLE-MQYQWHSLSA-N 2 0 240.391 1.874 20 0 BDADRP CC[C@@H]1COC[C@@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715572661 712529219 /nfs/dbraw/zinc/52/92/19/712529219.db2.gz LWHOUMALXLIZOL-RYSNWHEDSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@H]([NH2+]CC1(C)OCCO1)C1CC[NH+](C)CC1 ZINC000716795802 712574188 /nfs/dbraw/zinc/57/41/88/712574188.db2.gz NLNBOJFUCPZHEM-NSHDSACASA-N 2 0 242.363 1.069 20 0 BDADRP CC(C)[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000717052840 712625616 /nfs/dbraw/zinc/62/56/16/712625616.db2.gz WWBQTKFXZUZYEE-NXEZZACHSA-N 2 0 220.307 1.865 20 0 BDADRP CC1(C)CO[C@H](C[NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000717283746 712644507 /nfs/dbraw/zinc/64/45/07/712644507.db2.gz FRKWUWJCMLOXFR-SRVKXCTJSA-N 2 0 226.364 1.661 20 0 BDADRP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]CC1CC1 ZINC000717284387 712644958 /nfs/dbraw/zinc/64/49/58/712644958.db2.gz HUMZLKYANWHJFR-SECBINFHSA-N 2 0 204.264 1.231 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)[C@H]1CCOC1 ZINC000717324199 712648990 /nfs/dbraw/zinc/64/89/90/712648990.db2.gz VXKIYUFRMLNRIK-GARJFASQSA-N 2 0 248.317 1.246 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC2CC=CC2)C12CCC2 ZINC000717388548 712653338 /nfs/dbraw/zinc/65/33/38/712653338.db2.gz QSBIWAVUNWZINM-VXGBXAGGSA-N 2 0 206.333 1.812 20 0 BDADRP C[C@@H](CNC(=[NH2+])NC1CCCC1)[N@H+](C)C1CC1 ZINC000221247141 712658577 /nfs/dbraw/zinc/65/85/77/712658577.db2.gz HHPPXBFYPKTSGX-JTQLQIEISA-N 2 0 238.379 1.526 20 0 BDADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cnns2)C1 ZINC000380142303 712699219 /nfs/dbraw/zinc/69/92/19/712699219.db2.gz YVJZARIMTRZKCC-SECBINFHSA-N 2 0 226.349 1.099 20 0 BDADRP Cc1ncc(C[N@@H+]2CC[C@H](CC[NH3+])C2)s1 ZINC000718915775 712788238 /nfs/dbraw/zinc/78/82/38/712788238.db2.gz AZFVWMPDLQZMRR-JTQLQIEISA-N 2 0 225.361 1.622 20 0 BDADRP Cc1ncc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)s1 ZINC000718915780 712788351 /nfs/dbraw/zinc/78/83/51/712788351.db2.gz AZFVWMPDLQZMRR-SNVBAGLBSA-N 2 0 225.361 1.622 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)c1ccccc1 ZINC000250810939 712834657 /nfs/dbraw/zinc/83/46/57/712834657.db2.gz KWVIECLUTONDHQ-KKUMJFAQSA-N 2 0 248.370 1.827 20 0 BDADRP Cc1cc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)c(C)nn1 ZINC000720588963 712855178 /nfs/dbraw/zinc/85/51/78/712855178.db2.gz ZNNPMEQZFUZUQD-CYBMUJFWSA-N 2 0 248.374 1.654 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@H](CO)C1CC1 ZINC000380304915 712865497 /nfs/dbraw/zinc/86/54/97/712865497.db2.gz FJCLHPBWOFNMBD-LBPRGKRZSA-N 2 0 214.353 1.079 20 0 BDADRP CC1(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000720793916 712865854 /nfs/dbraw/zinc/86/58/54/712865854.db2.gz KWPBKDHTCNBNHD-RKDXNWHRSA-N 2 0 236.281 1.856 20 0 BDADRP C[NH2+]CCN(CCC[NH+]1CCCCC1)C(C)C ZINC000720792635 712866175 /nfs/dbraw/zinc/86/61/75/712866175.db2.gz WCELFXOHEJIRAN-UHFFFAOYSA-N 2 0 241.423 1.792 20 0 BDADRP C[C@H]1CC[C@H](C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)O1 ZINC000720862888 712871356 /nfs/dbraw/zinc/87/13/56/712871356.db2.gz VUXFYJLPHDEXQB-WUHRBBMRSA-N 2 0 224.348 1.095 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH+]2CC[C@@H](O)[C@H](F)CC2)C1 ZINC001208607284 957085920 /nfs/dbraw/zinc/08/59/20/957085920.db2.gz LHTQJTXXEDVXMC-YNEHKIRRSA-N 2 0 244.354 1.123 20 0 BDADRP Cc1c[nH+]c(N2CCC[C@@H]([NH+](C)C)C2)cc1N ZINC000133261327 721894766 /nfs/dbraw/zinc/89/47/66/721894766.db2.gz WPZFBWQPFUUMCR-LLVKDONJSA-N 2 0 234.347 1.503 20 0 BDADRP COCCCC[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC000308855823 959520807 /nfs/dbraw/zinc/52/08/07/959520807.db2.gz OAWNWRVIDLHUPY-GFCCVEGCSA-N 2 0 214.353 1.474 20 0 BDADRP C[NH2+]CCC[N@H+](C)[C@H]1CC[C@@H](SC)C1 ZINC000309083877 959595606 /nfs/dbraw/zinc/59/56/06/959595606.db2.gz UPDOIUHQJOIIIV-WDEREUQCSA-N 2 0 216.394 1.812 20 0 BDADRP C[NH2+]CCC[N@H+](C)[C@@H]1CC[C@H](SC)C1 ZINC000309083875 959596323 /nfs/dbraw/zinc/59/63/23/959596323.db2.gz UPDOIUHQJOIIIV-MNOVXSKESA-N 2 0 216.394 1.812 20 0 BDADRP C[NH2+]CCC[N@H+](C)[C@H]1CC[C@H](SC)C1 ZINC000309083876 959596748 /nfs/dbraw/zinc/59/67/48/959596748.db2.gz UPDOIUHQJOIIIV-QWRGUYRKSA-N 2 0 216.394 1.812 20 0 BDADRP [NH3+]C[C@@H]1CCCC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000309466267 959879825 /nfs/dbraw/zinc/87/98/25/959879825.db2.gz SVIJCPRKPLLYOO-STQMWFEESA-N 2 0 226.364 1.616 20 0 BDADRP CCCC(C[NH3+])(CCC)NC(=O)[C@@H]([NH3+])C(C)C ZINC001221372191 960316645 /nfs/dbraw/zinc/31/66/45/960316645.db2.gz LTGISRAKOXCKCQ-NSHDSACASA-N 2 0 243.395 1.384 20 0 BDADRP CC[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[NH2+]C(C)C ZINC001267827506 960410612 /nfs/dbraw/zinc/41/06/12/960410612.db2.gz KIWWMDGJRBGHGG-RYUDHWBXSA-N 2 0 243.395 1.219 20 0 BDADRP CC[N@H+](CC1CC[NH+](C)CC1)CC(C)(C)O ZINC000709404771 960581710 /nfs/dbraw/zinc/58/17/10/960581710.db2.gz DIDDOXUQRDOOTI-UHFFFAOYSA-N 2 0 228.380 1.421 20 0 BDADRP C([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCOCC1 ZINC000709488445 960622671 /nfs/dbraw/zinc/62/26/71/960622671.db2.gz PWAWLWDMOYGKKB-FUNVUKJBSA-N 2 0 224.348 1.286 20 0 BDADRP C[C@]1([NH3+])CC[N@@H+]([C@@H]2CCCC3(C2)OCCO3)C1 ZINC000712818204 962982673 /nfs/dbraw/zinc/98/26/73/962982673.db2.gz RDVKWGSQOMPYNJ-NEPJUHHUSA-N 2 0 240.347 1.095 20 0 BDADRP C[C@H](CC[NH2+][C@@H]1CCOC[C@H]1C)[NH+](C)C ZINC000697891324 964648839 /nfs/dbraw/zinc/64/88/39/964648839.db2.gz RLPBRZIHCRKVBK-IJLUTSLNSA-N 2 0 214.353 1.341 20 0 BDADRP F[C@]1(CNc2ccccn2)CCCC[NH2+]C1 ZINC001162572789 965051478 /nfs/dbraw/zinc/05/14/78/965051478.db2.gz LGDAUCXRKFUQRI-GFCCVEGCSA-N 2 0 223.295 1.975 20 0 BDADRP Cc1nnc(CNCC2=CC[N@H+](C)CC2)s1 ZINC000698295829 965190144 /nfs/dbraw/zinc/19/01/44/965190144.db2.gz CMJWKSHPORIVKY-UHFFFAOYSA-N 2 0 238.360 1.198 20 0 BDADRP CCC(=O)C(C)(C)C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205130459 965931019 /nfs/dbraw/zinc/93/10/19/965931019.db2.gz FDRLWRMHYSCDGH-WDEREUQCSA-N 2 0 226.364 1.518 20 0 BDADRP CN(CC1(C)CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC001235341533 966043438 /nfs/dbraw/zinc/04/34/38/966043438.db2.gz BCMVTBOUQMXCOX-GFCCVEGCSA-N 2 0 225.380 1.060 20 0 BDADRP COC(=O)CCC[N@@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205985323 967936106 /nfs/dbraw/zinc/93/61/06/967936106.db2.gz XIQFNOSJPFAXCK-RYUDHWBXSA-N 2 0 242.363 1.246 20 0 BDADRP CC[N@@H+]1CCC[C@H](OCCC[NH+](C)C)C1 ZINC001206294713 968200561 /nfs/dbraw/zinc/20/05/61/968200561.db2.gz BBHYZRFDJKAJLR-LBPRGKRZSA-N 2 0 214.353 1.439 20 0 BDADRP CC1(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)CC[NH2+]CC1 ZINC001206606212 968416083 /nfs/dbraw/zinc/41/60/83/968416083.db2.gz HEWSYFWAEVJJOI-ZDUSSCGKSA-N 2 0 239.407 1.437 20 0 BDADRP CCCC[NH+]1CCC([N@H+](C)CC(C)(C)O)CC1 ZINC001252356502 968633218 /nfs/dbraw/zinc/63/32/18/968633218.db2.gz HNNXIWCYIGYNJS-UHFFFAOYSA-N 2 0 242.407 1.954 20 0 BDADRP C[NH+](C)CC(C)(C)CN1CC[N@H+](C)C(C)(C)C1 ZINC001207282462 968719346 /nfs/dbraw/zinc/71/93/46/968719346.db2.gz KARSADLVTLRRAF-UHFFFAOYSA-N 2 0 241.423 1.600 20 0 BDADRP C[C@@H]1CC[N@H+](CC2CC[NH+](C)CC2)CCC1=O ZINC001207395928 968750136 /nfs/dbraw/zinc/75/01/36/968750136.db2.gz ZSISFTMGHAOGAF-GFCCVEGCSA-N 2 0 238.375 1.629 20 0 BDADRP CC(=O)[C@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC001207440836 968774236 /nfs/dbraw/zinc/77/42/36/968774236.db2.gz GXEPEHLMWGMRNY-CYBMUJFWSA-N 2 0 224.348 1.430 20 0 BDADRP COC[C@@H](C)C[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001207691263 968862634 /nfs/dbraw/zinc/86/26/34/968862634.db2.gz CZNVCFBVHKBOKL-XQQFMLRXSA-N 2 0 226.364 1.152 20 0 BDADRP CCC[C@@H](O)C[NH2+]CCCCC[NH+](C)C ZINC001252799185 968982757 /nfs/dbraw/zinc/98/27/57/968982757.db2.gz QVVVWKLYFVBSRQ-GFCCVEGCSA-N 2 0 216.369 1.469 20 0 BDADRP CC[NH+](CC)C1CCN(CC[NH+](C)C)CC1 ZINC001208127228 969019511 /nfs/dbraw/zinc/01/95/11/969019511.db2.gz UYVKOOFIKOFYQB-UHFFFAOYSA-N 2 0 227.396 1.354 20 0 BDADRP CC[NH+]1CCC(C[N@H+](C)C2(C)COC2)CC1 ZINC001208597536 969151039 /nfs/dbraw/zinc/15/10/39/969151039.db2.gz IXUPYPISLNITML-UHFFFAOYSA-N 2 0 226.364 1.439 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH+]2CCCOC(C)(C)C2)C1 ZINC001208613456 969170940 /nfs/dbraw/zinc/17/09/40/969170940.db2.gz UKVLAVSRMAHPOA-ZDUSSCGKSA-N 2 0 240.391 1.829 20 0 BDADRP CC[N@H+](CCCOCOC)CCC[NH+](C)C ZINC001209030842 969326934 /nfs/dbraw/zinc/32/69/34/969326934.db2.gz CHXANSONOVQHPU-UHFFFAOYSA-N 2 0 232.368 1.271 20 0 BDADRP COCOCCC[N@H+]1C[C@H]2[C@H](C1)CCCN2C ZINC001209032719 969325927 /nfs/dbraw/zinc/32/59/27/969325927.db2.gz UDVCPPHVHWYSGT-STQMWFEESA-N 2 0 242.363 1.023 20 0 BDADRP COCC[N@@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001209209664 969397914 /nfs/dbraw/zinc/39/79/14/969397914.db2.gz DXJWCRFBNVOWSD-KBPBESRZSA-N 2 0 240.391 1.972 20 0 BDADRP CC[NH+](CC)CCCC[NH2+]C[C@H](O)C(C)C ZINC001253777859 969398230 /nfs/dbraw/zinc/39/82/30/969398230.db2.gz VGQBHFJPNSKABW-ZDUSSCGKSA-N 2 0 230.396 1.715 20 0 BDADRP CC(C)[C@H](O)C[NH2+]CCCCC[NH+]1CCCC1 ZINC001253783028 969403252 /nfs/dbraw/zinc/40/32/52/969403252.db2.gz UDEBSUSAQAYBLC-CQSZACIVSA-N 2 0 242.407 1.859 20 0 BDADRP CCC[NH+]1C[C@@H]2C[NH+](C[C@@H]3C[C@H]3C)C[C@H]2C1 ZINC001209430015 969500654 /nfs/dbraw/zinc/50/06/54/969500654.db2.gz IYICIFHLGUBVEF-XJFOESAGSA-N 2 0 222.376 1.916 20 0 BDADRP C(CN1CC[C@H]2OCC[C@H]21)C[NH+]1CCCCC1 ZINC001209449705 969518960 /nfs/dbraw/zinc/51/89/60/969518960.db2.gz KKGKNPFQEQWHBH-ZIAGYGMSSA-N 2 0 238.375 1.726 20 0 BDADRP C[NH+]1CCC[C@@H]([NH2+][C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254500156 969663342 /nfs/dbraw/zinc/66/33/42/969663342.db2.gz GMNSGMMMPOZIMN-ZIAGYGMSSA-N 3 0 239.407 1.545 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+]CCCC(C)(C)O)CC1 ZINC001254507571 969681929 /nfs/dbraw/zinc/68/19/29/969681929.db2.gz MZUPEFYJADUANQ-LBPRGKRZSA-N 2 0 228.380 1.611 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH+]2CC(C3COC3)C2)CC1 ZINC001254516989 969695286 /nfs/dbraw/zinc/69/52/86/969695286.db2.gz QTXWZSDHXOCOAF-CYBMUJFWSA-N 2 0 224.348 1.049 20 0 BDADRP C[C@@H]1C[N@@H+]([C@H]2CCC[NH+](C)CC2)CCC[C@H]1O ZINC001254517635 969698880 /nfs/dbraw/zinc/69/88/80/969698880.db2.gz XPYVHZUVQIRDGM-HZSPNIEDSA-N 2 0 240.391 1.564 20 0 BDADRP C[N@H+](C[C@@H]1CCCCO1)[C@@H]1CCC[NH+](C)CC1 ZINC001254522581 969706668 /nfs/dbraw/zinc/70/66/68/969706668.db2.gz HKIXQACJLYXNDO-KGLIPLIRSA-N 2 0 240.391 1.972 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH+]2CCCOC(C)(C)C2)CC1 ZINC001254522151 969706781 /nfs/dbraw/zinc/70/67/81/969706781.db2.gz CYJMXVCKKICLHH-ZDUSSCGKSA-N 2 0 240.391 1.972 20 0 BDADRP C[N@@H+]1CC[C@@H](N2C(C)(C)CC([NH3+])CC2(C)C)C1 ZINC001255410816 970128561 /nfs/dbraw/zinc/12/85/61/970128561.db2.gz BGEHDYBIPLNYDV-GFCCVEGCSA-N 2 0 239.407 1.671 20 0 BDADRP C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1(C)C ZINC001255489557 970243831 /nfs/dbraw/zinc/24/38/31/970243831.db2.gz PESICASHXGDZHA-LBPRGKRZSA-N 2 0 225.380 1.107 20 0 BDADRP CC(C)[N@@H+]1CCN([C@@H]2CCC[NH+](C)C2)C[C@@H]1C ZINC001255493633 970254702 /nfs/dbraw/zinc/25/47/02/970254702.db2.gz DWPLXUYCEFVHDN-UONOGXRCSA-N 2 0 239.407 1.495 20 0 BDADRP CC[NH+](CC)CC[C@H](C)n1cncc1CC[NH3+] ZINC001255941821 970568019 /nfs/dbraw/zinc/56/80/19/970568019.db2.gz XOEJEUXSPMKUAF-LBPRGKRZSA-N 2 0 238.379 1.677 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)NC[C@@H]1CCC[N@@H+]1C ZINC001255943259 970575196 /nfs/dbraw/zinc/57/51/96/970575196.db2.gz LCCAJLGMOOFVMO-KGLIPLIRSA-N 2 0 241.423 1.791 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]CC(C)(C)C(N)=O ZINC001255945924 970576134 /nfs/dbraw/zinc/57/61/34/970576134.db2.gz PQNUZDBHVCQSKT-NSHDSACASA-N 2 0 243.395 1.208 20 0 BDADRP C[C@@H]([NH2+]Cc1cncs1)C1CC[NH2+]CC1 ZINC000400330429 970577431 /nfs/dbraw/zinc/57/74/31/970577431.db2.gz FTPRVQCLCTYKFA-SECBINFHSA-N 2 0 225.361 1.621 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]C[C@H]1C[C@H](O)C1 ZINC001255946333 970584427 /nfs/dbraw/zinc/58/44/27/970584427.db2.gz SLLGWNDVBIVSOK-AVGNSLFASA-N 2 0 228.380 1.467 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@H](CO)C1 ZINC001255954782 970586681 /nfs/dbraw/zinc/58/66/81/970586681.db2.gz HZIWPJQBRBHNGM-KBPBESRZSA-N 2 0 242.407 1.811 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N1CC[NH+](C)CC1 ZINC001255954828 970587356 /nfs/dbraw/zinc/58/73/56/970587356.db2.gz ISBCGJOQLZLFCP-CYBMUJFWSA-N 2 0 227.396 1.354 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC001255955567 970591397 /nfs/dbraw/zinc/59/13/97/970591397.db2.gz BTLCRPHLEGCEBO-MCIONIFRSA-N 2 0 242.407 1.810 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCCC[C@H](O)C1 ZINC001255958143 970594152 /nfs/dbraw/zinc/59/41/52/970594152.db2.gz YSSYQWFNOYQQHY-KGLIPLIRSA-N 2 0 242.407 1.954 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC001255956500 970595902 /nfs/dbraw/zinc/59/59/02/970595902.db2.gz KUHREPAXKKQSCK-RDBSUJKOSA-N 2 0 242.407 1.810 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CC[C@@H](CO)C1 ZINC001255960547 970600472 /nfs/dbraw/zinc/60/04/72/970600472.db2.gz IKIXHNNCCCODGK-CHWSQXEVSA-N 2 0 228.380 1.421 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH+]1CCC(CO)CC1 ZINC001255959892 970603857 /nfs/dbraw/zinc/60/38/57/970603857.db2.gz PPVYQWXLERXIQH-ZDUSSCGKSA-N 2 0 242.407 1.811 20 0 BDADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)NC1CCC([NH3+])CC1 ZINC000400986568 970651372 /nfs/dbraw/zinc/65/13/72/970651372.db2.gz UPBDZZKTECLAOT-WNYYMSAVSA-N 2 0 241.379 1.136 20 0 BDADRP [NH3+]C[C@H](O)C[NH2+]C1CCC2(CCCCC2)CC1 ZINC001173117008 975029624 /nfs/dbraw/zinc/02/96/24/975029624.db2.gz IKYUKGJQCFOIES-ZDUSSCGKSA-N 2 0 240.391 1.789 20 0 BDADRP CC[C@@H](C)[C@@](C)(O)C[NH2+]CC1CC[NH+](C)CC1 ZINC001333680870 975981709 /nfs/dbraw/zinc/98/17/09/975981709.db2.gz XKQPSAPPUYJLOX-OCCSQVGLSA-N 2 0 242.407 1.715 20 0 BDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[C@@H](C)C1 ZINC001177698536 978419981 /nfs/dbraw/zinc/41/99/81/978419981.db2.gz XBKLIICKYKTEEV-MCIONIFRSA-N 2 0 239.407 1.401 20 0 BDADRP CC[C@H]([NH3+])CN1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235040521 978958181 /nfs/dbraw/zinc/95/81/81/978958181.db2.gz LIDBPUUJYGMWKC-STQMWFEESA-N 2 0 225.380 1.332 20 0 BDADRP CN(CCC1CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC001235343651 979031848 /nfs/dbraw/zinc/03/18/48/979031848.db2.gz WNPKYKVERFCYCP-CYBMUJFWSA-N 2 0 225.380 1.060 20 0 BDADRP CCC[C@@H]1C[NH2+]CCN1C[C@@H]1CCCC[NH2+]1 ZINC001236132460 979403907 /nfs/dbraw/zinc/40/39/07/979403907.db2.gz LHFNEKMNZOVCLD-QWHCGFSZSA-N 2 0 225.380 1.202 20 0 BDADRP CCCN(CCCCC[NH3+])[C@H]1CC[NH2+]C1 ZINC001236322599 979537307 /nfs/dbraw/zinc/53/73/07/979537307.db2.gz QERKNYRJCYRFON-LBPRGKRZSA-N 2 0 213.369 1.189 20 0 BDADRP [NH3+]CCCCN([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236645894 979683039 /nfs/dbraw/zinc/68/30/39/979683039.db2.gz CAVGPKDLEZNFIA-CQSZACIVSA-N 2 0 239.407 1.722 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)NC[C@H]1CCC[NH2+]CC1 ZINC001342859276 979920857 /nfs/dbraw/zinc/92/08/57/979920857.db2.gz RPVIBJLANNEZIV-AAEUAGOBSA-N 2 0 241.379 1.010 20 0 BDADRP [NH3+]C[C@]1(F)CCC[N@H+](C[C@@H]2CCC=CO2)CC1 ZINC001205546012 980945684 /nfs/dbraw/zinc/94/56/84/980945684.db2.gz OQIWTUNJQJHERJ-STQMWFEESA-N 2 0 242.338 1.832 20 0 BDADRP C[C@H]1CC[C@@H](CN)[N@H+](CC2(C)CC[NH2+]CC2)C1 ZINC001205804283 982563918 /nfs/dbraw/zinc/56/39/18/982563918.db2.gz MLZBHJANFDWGIA-STQMWFEESA-N 2 0 239.407 1.435 20 0 BDADRP CCC[NH+]1C[C@H]2C[NH+](CC(C)C)C[C@@H]2C1 ZINC001201478457 983281095 /nfs/dbraw/zinc/28/10/95/983281095.db2.gz KOSUUMNBNGHQKO-STQMWFEESA-N 2 0 210.365 1.916 20 0 BDADRP C[N@H+](CCN1CC[NH+](C)CC1)CCC(C)(C)C ZINC001202096172 983558254 /nfs/dbraw/zinc/55/82/54/983558254.db2.gz IATIFKNDSGSXAA-UHFFFAOYSA-N 2 0 241.423 1.602 20 0 BDADRP CC(C)C[C@](C)(C[NH3+])C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC001357668787 983753897 /nfs/dbraw/zinc/75/38/97/983753897.db2.gz SRXMRMQCDBTBPP-NTZNESFSSA-N 2 0 243.395 1.240 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]CC(C)(C)F ZINC001575932715 984135470 /nfs/dbraw/zinc/13/54/70/984135470.db2.gz BUAGHOUHXLQFJE-NXEZZACHSA-N 2 0 202.317 1.855 20 0 BDADRP CCOCC[C@@H](C)[N@H+](C)C[C@@H](C)C[NH3+] ZINC001172416989 974687435 /nfs/dbraw/zinc/68/74/35/974687435.db2.gz PWOIAANSGRBXCB-WDEREUQCSA-N 2 0 202.342 1.328 20 0 BDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NCCC(C)(C)[NH3+] ZINC001331394369 974707166 /nfs/dbraw/zinc/70/71/66/974707166.db2.gz VBJKPKHOYNHUSG-SNVBAGLBSA-N 2 0 243.395 1.254 20 0 BDADRP CCOCC[C@H](C)[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001172433893 974719446 /nfs/dbraw/zinc/71/94/46/974719446.db2.gz SLLQIFQTWPASGP-ZDUSSCGKSA-N 2 0 240.391 1.829 20 0 BDADRP CC(C)OCC[C@@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001172452550 974815664 /nfs/dbraw/zinc/81/56/64/974815664.db2.gz ALPPTQMCRANNRR-MCIONIFRSA-N 2 0 240.391 1.683 20 0 BDADRP C[C@@H]1C[C@H]1C[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222533442 972554856 /nfs/dbraw/zinc/55/48/56/972554856.db2.gz ZHHNGIMQFMKEJK-ZJUUUORDSA-N 2 0 200.301 1.405 20 0 BDADRP C[C@@H](Cc1ccccn1)NC(=[NH2+])SCC[NH3+] ZINC001256397341 970802003 /nfs/dbraw/zinc/80/20/03/970802003.db2.gz HMMPAWKHFKHSPD-VIFPVBQESA-N 2 0 238.360 1.229 20 0 BDADRP Cc1cncc(CC[NH2+]CC2CC[NH+](C)CC2)n1 ZINC000402811262 970857372 /nfs/dbraw/zinc/85/73/72/970857372.db2.gz DWDPGGBJJZWXCO-UHFFFAOYSA-N 2 0 248.374 1.259 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)CCSC ZINC000234799999 973767730 /nfs/dbraw/zinc/76/77/30/973767730.db2.gz ZSZJCTXLZAVNCO-QWRGUYRKSA-N 2 0 234.409 1.472 20 0 BDADRP COC[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000234837667 973774515 /nfs/dbraw/zinc/77/45/15/973774515.db2.gz QWEVFCQQAKOYHE-YNEHKIRRSA-N 2 0 226.364 1.343 20 0 BDADRP C1CC([NH2+]C2CCC([NH+]3CCOCC3)CC2)C1 ZINC001256675808 970912988 /nfs/dbraw/zinc/91/29/88/970912988.db2.gz JHMQJDYGSJROGB-UHFFFAOYSA-N 2 0 238.375 1.772 20 0 BDADRP C1=CC[NH+](C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001256855603 970996593 /nfs/dbraw/zinc/99/65/93/970996593.db2.gz QRPYCPNHOHVUME-UHFFFAOYSA-N 2 0 229.327 1.922 20 0 BDADRP [NH3+]C1CN([C@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256898600 971016052 /nfs/dbraw/zinc/01/60/52/971016052.db2.gz NNRTXQLRKAAVKH-ZDUSSCGKSA-N 2 0 223.364 1.036 20 0 BDADRP CC1([NH3+])CN([C@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256907860 971023275 /nfs/dbraw/zinc/02/32/75/971023275.db2.gz GMOUGKKIWQUBQM-ZDUSSCGKSA-N 2 0 237.391 1.426 20 0 BDADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC001170506641 971019578 /nfs/dbraw/zinc/01/95/78/971019578.db2.gz ZWKRXVMZIUGTHO-KXNHARMFSA-N 2 0 240.347 1.188 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]C2CC(F)C2)CC1 ZINC001257201925 971123896 /nfs/dbraw/zinc/12/38/96/971123896.db2.gz MXLDNMFTLLJGHW-UHFFFAOYSA-N 2 0 214.328 1.949 20 0 BDADRP CC(C)[NH+]1CCC(n2ccc(CC[NH3+])n2)CC1 ZINC001257206190 971124529 /nfs/dbraw/zinc/12/45/29/971124529.db2.gz UUSLRYFCHYCWRU-UHFFFAOYSA-N 2 0 236.363 1.430 20 0 BDADRP CC(C)[NH+]1CCC([N@@H+]2CC[C@H](O)[C@H](C)C2)CC1 ZINC001257214343 971129896 /nfs/dbraw/zinc/12/98/96/971129896.db2.gz BRYZUXBJYIHLOH-OCCSQVGLSA-N 2 0 240.391 1.562 20 0 BDADRP C[C@H](Nc1cc2cc[nH]c2cn1)[C@H]1C[NH2+]CCO1 ZINC001170559372 971169408 /nfs/dbraw/zinc/16/94/08/971169408.db2.gz WPYMDVWQNHUYNB-JOYOIKCWSA-N 2 0 246.314 1.352 20 0 BDADRP C[C@]1(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CCOC1 ZINC000405207203 971206222 /nfs/dbraw/zinc/20/62/22/971206222.db2.gz GPFXFATUVLKTRP-GRYCIOLGSA-N 2 0 224.348 1.273 20 0 BDADRP CCC[C@H](O)C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405203094 971207292 /nfs/dbraw/zinc/20/72/92/971207292.db2.gz BVCXZJCYAIZGIE-HBNTYKKESA-N 2 0 212.337 1.007 20 0 BDADRP CO[C@H](C)CC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405206942 971207493 /nfs/dbraw/zinc/20/74/93/971207493.db2.gz AUIXMMFPWVEJJQ-OUAUKWLOSA-N 2 0 212.337 1.271 20 0 BDADRP C[NH+](C)C1(CN[C@H]2C[C@H]([NH3+])C23CCC3)CCC1 ZINC000405196349 971207816 /nfs/dbraw/zinc/20/78/16/971207816.db2.gz AOIWOEPMNRLOPN-RYUDHWBXSA-N 2 0 237.391 1.330 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405203599 971209055 /nfs/dbraw/zinc/20/90/55/971209055.db2.gz CCJQYMPDPYDYBT-UKKRHICBSA-N 2 0 212.337 1.005 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)O1 ZINC000405212244 971210383 /nfs/dbraw/zinc/21/03/83/971210383.db2.gz IOOXAQYQRUNWGO-DDHJBXDOSA-N 2 0 224.348 1.413 20 0 BDADRP CCC[C@H](C)[NH2+]CCC[N@H+](C)CCO ZINC001257315218 971211827 /nfs/dbraw/zinc/21/18/27/971211827.db2.gz WKLKFJUWOFVFIA-NSHDSACASA-N 2 0 202.342 1.079 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CCO1 ZINC000405234494 971215164 /nfs/dbraw/zinc/21/51/64/971215164.db2.gz CUMANJRASROGKO-LPWJVIDDSA-N 2 0 238.375 1.661 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)[C@H]1CCCOC1 ZINC000405269935 971224298 /nfs/dbraw/zinc/22/42/98/971224298.db2.gz UDHRQUVDHNKCRF-ZDEQEGDKSA-N 2 0 238.375 1.661 20 0 BDADRP C[C@H](O)CC(C)(C)C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405287060 971227666 /nfs/dbraw/zinc/22/76/66/971227666.db2.gz FHECCEICSZHGIA-SRVKXCTJSA-N 2 0 240.391 1.643 20 0 BDADRP CO[C@@H]([C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)C1CC1 ZINC000405284910 971228676 /nfs/dbraw/zinc/22/86/76/971228676.db2.gz VMQFKVUBCGFIFF-SQNXGDPESA-N 2 0 238.375 1.659 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]CCCCCO)C12CCC2 ZINC000405304383 971232509 /nfs/dbraw/zinc/23/25/09/971232509.db2.gz LISGSUIQRZWMIZ-QWRGUYRKSA-N 2 0 212.337 1.009 20 0 BDADRP C[C@H](Cn1ccnc1)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405294381 971229976 /nfs/dbraw/zinc/22/99/76/971229976.db2.gz FMYREWQOKAEESN-IJLUTSLNSA-N 2 0 234.347 1.131 20 0 BDADRP CS[C@H](C)C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405318369 971230379 /nfs/dbraw/zinc/23/03/79/971230379.db2.gz QFGPJFPRVKGKJV-OPRDCNLKSA-N 2 0 214.378 1.597 20 0 BDADRP C[C@H](CCCO)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405344973 971235837 /nfs/dbraw/zinc/23/58/37/971235837.db2.gz KJVKMEOPSWMHDQ-VWYCJHECSA-N 2 0 212.337 1.007 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2CCCS2)C12CCC2 ZINC000405321644 971236638 /nfs/dbraw/zinc/23/66/38/971236638.db2.gz VCWVGVLSSYPKBZ-AXFHLTTASA-N 2 0 226.389 1.742 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]CC2(CO)CCCC2)C12CCC2 ZINC000405339740 971237288 /nfs/dbraw/zinc/23/72/88/971237288.db2.gz HHQYPXIIKPWMKA-RYUDHWBXSA-N 2 0 238.375 1.399 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCO2)C12CCC2 ZINC000405367915 971241399 /nfs/dbraw/zinc/24/13/99/971241399.db2.gz XKURVDCOKOXVPE-QJPTWQEYSA-N 2 0 224.348 1.415 20 0 BDADRP C[C@](O)(C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)C1CC1 ZINC000405376579 971245919 /nfs/dbraw/zinc/24/59/19/971245919.db2.gz BNXRSQTVNUZZGN-TUAOUCFPSA-N 2 0 224.348 1.007 20 0 BDADRP CC(C)[N@H+](C)CCN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405424662 971253450 /nfs/dbraw/zinc/25/34/50/971253450.db2.gz QOIUYZLAFRGPRN-NEPJUHHUSA-N 2 0 225.380 1.186 20 0 BDADRP CC(C)C[C@H](O)C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405411541 971254052 /nfs/dbraw/zinc/25/40/52/971254052.db2.gz NGBCXAZPETVUEF-SRVKXCTJSA-N 2 0 226.364 1.253 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405460558 971257437 /nfs/dbraw/zinc/25/74/37/971257437.db2.gz ZRDABPLESWMKLQ-UTUOFQBUSA-N 2 0 226.364 1.255 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H]2CCCO2)C12CCC2 ZINC000405506319 971266185 /nfs/dbraw/zinc/26/61/85/971266185.db2.gz RXYURRRVNDAPGO-GMTAPVOTSA-N 2 0 210.321 1.025 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]CCOc2ccccc2)C12CCC2 ZINC000405535448 971271786 /nfs/dbraw/zinc/27/17/86/971271786.db2.gz ZNKMEQDMZYMAOX-KBPBESRZSA-N 2 0 246.354 1.925 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CO[C@H](C)[C@@H]2C)C1 ZINC000405694486 971293973 /nfs/dbraw/zinc/29/39/73/971293973.db2.gz XPCINSWCSVVHGF-UMSGYPCISA-N 2 0 226.364 1.341 20 0 BDADRP CCCCOC(=O)CC[C@@H](C)[NH2+]C[C@@H](C)C[NH3+] ZINC001257381146 971298037 /nfs/dbraw/zinc/29/80/37/971298037.db2.gz JCEIZUXDCBSVKJ-NWDGAFQWSA-N 2 0 244.379 1.683 20 0 BDADRP CCCC[C@H](CC)[NH2+]CCC[N@H+](C)CCO ZINC001257416759 971313279 /nfs/dbraw/zinc/31/32/79/971313279.db2.gz QCTISXYTHIHNEA-ZDUSSCGKSA-N 2 0 230.396 1.859 20 0 BDADRP CC[NH+](CC)CCO[C@@H]1CCC[N@H+](C)C1 ZINC001224929185 974075871 /nfs/dbraw/zinc/07/58/71/974075871.db2.gz ZWCFRLZMNQUXPG-GFCCVEGCSA-N 2 0 214.353 1.439 20 0 BDADRP CC[C@H](C)[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC001257427793 971334579 /nfs/dbraw/zinc/33/45/79/971334579.db2.gz UILODQDSIQIRCY-LBPRGKRZSA-N 2 0 227.396 1.401 20 0 BDADRP CC[C@H](C)[NH2+]CC1CC[NH+](C2COC2)CC1 ZINC001257435380 971347220 /nfs/dbraw/zinc/34/72/20/971347220.db2.gz BAOLBFYBDSBWMV-NSHDSACASA-N 2 0 226.364 1.485 20 0 BDADRP C[NH2+][C@H]1C[C@@H](OCCC2CC[NH2+]CC2)C1 ZINC001217767455 971393892 /nfs/dbraw/zinc/39/38/92/971393892.db2.gz VXQGLBFRJRUKSK-TXEJJXNPSA-N 2 0 212.337 1.143 20 0 BDADRP C[NH2+][C@H]1C[C@@H](OCCCCC2CC[NH2+]CC2)C1 ZINC001217767151 971394722 /nfs/dbraw/zinc/39/47/22/971394722.db2.gz KIFZZKOHSHGXLC-OKILXGFUSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]1C[NH2+]CCC[C@H]1OC[C@H]1CCC[NH2+]C1 ZINC001217779669 971400092 /nfs/dbraw/zinc/40/00/92/971400092.db2.gz NZEWPTXMXYRKFD-FRRDWIJNSA-N 2 0 226.364 1.391 20 0 BDADRP C[C@@H]1C[C@@H](OCCC[C@@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001217786356 971405224 /nfs/dbraw/zinc/40/52/24/971405224.db2.gz XQGRPBJSEYQNOV-FRRDWIJNSA-N 2 0 226.364 1.533 20 0 BDADRP CC(C)(C[NH3+])CO[C@H]1CCC[C@]12CC[NH2+]C2 ZINC001217799122 971410512 /nfs/dbraw/zinc/41/05/12/971410512.db2.gz CZMPWAFLHIHCGX-WCQYABFASA-N 2 0 226.364 1.520 20 0 BDADRP CC[NH+]1CCC(OC[C@@H]2CCC[NH2+]C2)CC1 ZINC001217834366 971426884 /nfs/dbraw/zinc/42/68/84/971426884.db2.gz WWXUIOXXGIRHSU-GFCCVEGCSA-N 2 0 226.364 1.487 20 0 BDADRP C[NH+](C)C1CCC(OCCC[NH3+])CC1 ZINC001217866880 971462491 /nfs/dbraw/zinc/46/24/91/971462491.db2.gz DOELPRZALYYZNO-UHFFFAOYSA-N 2 0 200.326 1.225 20 0 BDADRP C1=C[C@@H](OCCC[C@@H]2CCC[NH2+]C2)C[NH2+]C1 ZINC001217883158 971480181 /nfs/dbraw/zinc/48/01/81/971480181.db2.gz QCGUKYRPICJOPQ-QWHCGFSZSA-N 2 0 224.348 1.311 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+]([C@H]3CCCSC3)C2)C1 ZINC001257681010 971486445 /nfs/dbraw/zinc/48/64/45/971486445.db2.gz MZGXSWZKNZZMMA-STQMWFEESA-N 2 0 240.416 1.910 20 0 BDADRP C[C@@H]1CC[C@@H](OCCC[C@@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001217910944 971511285 /nfs/dbraw/zinc/51/12/85/971511285.db2.gz KODINBHPLDFZJW-HZSPNIEDSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H]1CC[C@H](OCc2ccccc2C[NH3+])C[NH2+]1 ZINC001217910153 971511314 /nfs/dbraw/zinc/51/13/14/971511314.db2.gz OAKGQZSXUIRCDQ-FZMZJTMJSA-N 2 0 234.343 1.802 20 0 BDADRP C(O[C@@H]1C[NH2+]CCC12CC2)[C@@H]1CCC[NH2+]C1 ZINC001217910836 971513439 /nfs/dbraw/zinc/51/34/39/971513439.db2.gz BEFQLVSFXFXSQN-VXGBXAGGSA-N 2 0 224.348 1.145 20 0 BDADRP [NH3+]Cc1cccc(CO[C@H]2[C@@H]3CC[C@H]2[NH2+]C3)c1 ZINC001217925760 971529087 /nfs/dbraw/zinc/52/90/87/971529087.db2.gz VSQCQSUIWVPGJF-MCIONIFRSA-N 2 0 232.327 1.412 20 0 BDADRP [NH3+][C@@H]1CCC[N@@H+](C2CCC3(COC3)CC2)C1 ZINC001257897519 971529946 /nfs/dbraw/zinc/52/99/46/971529946.db2.gz CABBIHRGYXSJKH-LLVKDONJSA-N 2 0 224.348 1.369 20 0 BDADRP CC1(CO[C@@H]2C[NH2+]CCC2(F)F)CC[NH2+]CC1 ZINC001217929130 971532570 /nfs/dbraw/zinc/53/25/70/971532570.db2.gz ZBYYNRNNAHNNGN-SNVBAGLBSA-N 2 0 248.317 1.390 20 0 BDADRP [NH3+]Cc1cccc(O[C@H]2CCC[NH2+]C[C@H]2F)c1 ZINC001217948009 971540948 /nfs/dbraw/zinc/54/09/48/971540948.db2.gz LIHJXXCPOBPUMW-OLZOCXBDSA-N 2 0 238.306 1.614 20 0 BDADRP [NH3+]Cc1cccc(O[C@@H]2CCC[NH2+]C2)c1 ZINC001217962654 971548985 /nfs/dbraw/zinc/54/89/85/971548985.db2.gz DHONWYYFWLBSIS-GFCCVEGCSA-N 2 0 206.289 1.276 20 0 BDADRP CC(C)C[NH+]1CCC([NH2+]C[C@H](O)CF)CC1 ZINC001258009302 971553917 /nfs/dbraw/zinc/55/39/17/971553917.db2.gz UMERRFUMKUDBFI-GFCCVEGCSA-N 2 0 232.343 1.027 20 0 BDADRP CC(C)C[NH+]1CCC([NH+]2CCC(O)CC2)CC1 ZINC001258011700 971551684 /nfs/dbraw/zinc/55/16/84/971551684.db2.gz ONDBLTMCJWUMRQ-UHFFFAOYSA-N 2 0 240.391 1.564 20 0 BDADRP [NH3+]Cc1ccccc1O[C@@H]1CCCC[NH2+]C1 ZINC001217974866 971559907 /nfs/dbraw/zinc/55/99/07/971559907.db2.gz QEBBZLBCKHJTEI-GFCCVEGCSA-N 2 0 220.316 1.666 20 0 BDADRP [NH3+]Cc1ccccc1O[C@H]1C[NH2+]CCC[C@H]1F ZINC001217978946 971559939 /nfs/dbraw/zinc/55/99/39/971559939.db2.gz FTCWWCULVPJXOJ-YPMHNXCESA-N 2 0 238.306 1.614 20 0 BDADRP C[C@@H]1C[C@H](Oc2cccc3c2CC[NH2+]C3)CC[NH2+]1 ZINC001218051141 971591757 /nfs/dbraw/zinc/59/17/57/971591757.db2.gz UWQIAAMODUZKGJ-DGCLKSJQSA-N 2 0 246.354 1.852 20 0 BDADRP C[NH+](C)Cc1ccnc(N2CC[NH2+]C3(CC3)C2)c1 ZINC001158944921 971592442 /nfs/dbraw/zinc/59/24/42/971592442.db2.gz XRZSMUOPQIOIQR-UHFFFAOYSA-N 2 0 246.358 1.085 20 0 BDADRP c1cc(O[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc2c1C[NH2+]C2 ZINC001218185522 971622023 /nfs/dbraw/zinc/62/20/23/971622023.db2.gz FHEURHXMOOBQBR-AGGWBTHJSA-N 2 0 244.338 1.952 20 0 BDADRP CC(C)CC[N@@H+]1CC[C@H](N)[C@@H](F)CC1 ZINC001206154259 974322323 /nfs/dbraw/zinc/32/23/23/974322323.db2.gz ICLYVAGYKXUPDA-QWRGUYRKSA-N 2 0 202.317 1.794 20 0 BDADRP [NH3+]Cc1cccc(O[C@@H]2C[C@H]3CC[NH2+][C@H]3C2)c1 ZINC001218251303 971650388 /nfs/dbraw/zinc/65/03/88/971650388.db2.gz SFRDGDFIQZDNLU-BNOWGMLFSA-N 2 0 232.327 1.665 20 0 BDADRP C[C@@H](C[NH3+])C[N@H+](C)[C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170729757 971670107 /nfs/dbraw/zinc/67/01/07/971670107.db2.gz GJDWLBIQLYBQJX-YFKTTZPYSA-N 2 0 210.365 1.948 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]1Oc1cccc(C[NH3+])c1 ZINC001218314696 971701788 /nfs/dbraw/zinc/70/17/88/971701788.db2.gz CCUUYBUJVJHGMW-CYBMUJFWSA-N 2 0 234.343 1.912 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]1Oc1ccc(CC[NH3+])cc1 ZINC001218313300 971702353 /nfs/dbraw/zinc/70/23/53/971702353.db2.gz JFSNGENXXDSDMN-AWEZNQCLSA-N 2 0 248.370 1.955 20 0 BDADRP c1cc2c(c(O[C@@H]3C[C@H]4C[NH2+]C[C@H]43)c1)CC[NH2+]C2 ZINC001218328846 971710023 /nfs/dbraw/zinc/71/00/23/971710023.db2.gz YKMVHPUCDHLKHQ-NJZAAPMLSA-N 2 0 244.338 1.319 20 0 BDADRP C[C@H]([NH3+])c1ccc(O[C@H]2C[NH2+][C@H]2C)cc1 ZINC001218387489 971768557 /nfs/dbraw/zinc/76/85/57/971768557.db2.gz PMEIYHGCWFXBQN-AUTRQRHGSA-N 2 0 206.289 1.445 20 0 BDADRP [NH3+]CCc1ccc(O[C@@H]2C[NH2+]CCC23CC3)cc1 ZINC001218398383 971775679 /nfs/dbraw/zinc/77/56/79/971775679.db2.gz DVDDBQVUGBMNKU-CQSZACIVSA-N 2 0 246.354 1.709 20 0 BDADRP c1cc(O[C@H]2C[NH2+]CCC23CC3)cc2c1C[NH2+]C2 ZINC001218405738 971778764 /nfs/dbraw/zinc/77/87/64/971778764.db2.gz QEZNWBWUWQLDAR-AWEZNQCLSA-N 2 0 244.338 1.811 20 0 BDADRP C[C@H]1CC[C@@H](Oc2ccccc2C[NH3+])C[NH2+]1 ZINC001218405846 971780102 /nfs/dbraw/zinc/78/01/02/971780102.db2.gz MNJVGLRCDZCUEI-CMPLNLGQSA-N 2 0 220.316 1.665 20 0 BDADRP C[C@H]1CC[C@@H](Oc2ccc(C[NH3+])cc2)C[NH2+]1 ZINC001218406935 971780454 /nfs/dbraw/zinc/78/04/54/971780454.db2.gz KKHJXHCSFZQNBR-GXFFZTMASA-N 2 0 220.316 1.665 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@H]1Oc1cccc2c1C[NH2+]C2 ZINC001218411756 971782697 /nfs/dbraw/zinc/78/26/97/971782697.db2.gz AOTMHAZXUDSFJM-ZWNOBZJWSA-N 2 0 232.327 1.667 20 0 BDADRP C[C@H]1C[NH2+]CC[C@H]1Oc1cccc2c1C[NH2+]C2 ZINC001218411754 971782902 /nfs/dbraw/zinc/78/29/02/971782902.db2.gz AOTMHAZXUDSFJM-GXFFZTMASA-N 2 0 232.327 1.667 20 0 BDADRP C[C@H]1C[NH2+]CC[C@@H]1Oc1ccc2c(n1)CC[NH2+]C2 ZINC001218417347 971790576 /nfs/dbraw/zinc/79/05/76/971790576.db2.gz VWESSCVUBNLVNB-GWCFXTLKSA-N 2 0 247.342 1.104 20 0 BDADRP C[NH+](C)CCCCC[NH2+][C@H]1CCCOCC1 ZINC001170774857 971799421 /nfs/dbraw/zinc/79/94/21/971799421.db2.gz DRYRUQFZSTVTTM-ZDUSSCGKSA-N 2 0 228.380 1.877 20 0 BDADRP [NH3+][C@@H]1C[C@H]1c1ccc(O[C@@H]2[C@@H]3CC[C@H]2[NH2+]C3)cc1 ZINC001218450587 971822469 /nfs/dbraw/zinc/82/24/69/971822469.db2.gz ZXEOXRSBFPMUHG-COWZWYNKSA-N 2 0 244.338 1.630 20 0 BDADRP C([NH2+][C@H]1CCCOCC1)C12CC[NH+](CC1)CC2 ZINC001170787984 971825044 /nfs/dbraw/zinc/82/50/44/971825044.db2.gz NQMNXSRJKTVHHB-ZDUSSCGKSA-N 2 0 238.375 1.631 20 0 BDADRP [NH3+]CC1(F)CC[NH+](CC2CCCC2)CC1 ZINC001222527935 972538630 /nfs/dbraw/zinc/53/86/30/972538630.db2.gz QVFBLWJPGVYICG-UHFFFAOYSA-N 2 0 214.328 1.939 20 0 BDADRP c1cc2c(cc1O[C@@H]1C[C@H]3C[NH2+][C@@H]1C3)CC[NH2+]C2 ZINC001218490515 971833859 /nfs/dbraw/zinc/83/38/59/971833859.db2.gz LMFAVFLWJCBAQF-COLVAYQJSA-N 2 0 244.338 1.462 20 0 BDADRP [NH3+]CC1(F)CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC001222526483 972543131 /nfs/dbraw/zinc/54/31/31/972543131.db2.gz BXSNAJCTBJSKNY-LBPRGKRZSA-N 3 0 243.370 1.139 20 0 BDADRP CC[C@@H](C)C[NH2+]CCNC(=O)C[NH+](CC)CC ZINC001135510814 971904601 /nfs/dbraw/zinc/90/46/01/971904601.db2.gz GCCTUNQNZPOKPT-GFCCVEGCSA-N 2 0 243.395 1.080 20 0 BDADRP CC(C)c1ccccc1NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001218813299 971944999 /nfs/dbraw/zinc/94/49/99/971944999.db2.gz ZDGVDFOVOIMQJK-GFCCVEGCSA-N 2 0 249.358 1.815 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+]([C@@H]1CCCOCC1)CC2 ZINC001170837027 971958558 /nfs/dbraw/zinc/95/85/58/971958558.db2.gz YXGIHLIYJQNKAX-CYBMUJFWSA-N 2 0 238.375 1.583 20 0 BDADRP C[NH+](C)CCCCC(=O)Nc1ccc(C[NH3+])cc1 ZINC001219347617 972006028 /nfs/dbraw/zinc/00/60/28/972006028.db2.gz QUQVDCMQCSFTTD-UHFFFAOYSA-N 2 0 249.358 1.816 20 0 BDADRP CC[C@]([NH3+])(CO)Nc1cc[nH+]c(C2CC2)c1 ZINC001170866447 972000988 /nfs/dbraw/zinc/00/09/88/972000988.db2.gz SWGONKYWZLEAPB-GFCCVEGCSA-N 2 0 221.304 1.428 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)[C@@H]([NH3+])CC2CCC2)cc1 ZINC001219347165 972006493 /nfs/dbraw/zinc/00/64/93/972006493.db2.gz JOZAYQRYAWTLNG-ZDUSSCGKSA-N 2 0 247.342 1.601 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)C2CC(C[NH3+])C2)cc1 ZINC001219349541 972008077 /nfs/dbraw/zinc/00/80/77/972008077.db2.gz NIDIXCRCXWPSQD-UHFFFAOYSA-N 2 0 233.315 1.069 20 0 BDADRP Cc1c(C)c(N[C@@H]([NH3+])CCC[NH3+])nnc1Cl ZINC001170894177 972041701 /nfs/dbraw/zinc/04/17/01/972041701.db2.gz HYYVSAQEJXSEEO-MRVPVSSYSA-N 2 0 243.742 1.182 20 0 BDADRP CC[C@H](C)OCC[C@H](C)[NH2+]C1(C[NH3+])CC1 ZINC001172348589 974617130 /nfs/dbraw/zinc/61/71/30/974617130.db2.gz IUJQQFLZCOYJEM-QWRGUYRKSA-N 2 0 214.353 1.661 20 0 BDADRP CC(C)(O)c1ccccc1N[C@H]([NH3+])CCC[NH3+] ZINC001170898132 972052838 /nfs/dbraw/zinc/05/28/38/972052838.db2.gz BRMHVSFHEBGTJK-LBPRGKRZSA-N 2 0 237.347 1.350 20 0 BDADRP CC(C)(C)c1nccc(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001170897799 972053804 /nfs/dbraw/zinc/05/38/04/972053804.db2.gz KIYBHOMDBZDESX-SECBINFHSA-N 2 0 237.351 1.210 20 0 BDADRP C[C@H]1c2ccc(N[C@H]([NH3+])CCC[NH3+])cc2NC1=O ZINC001170899418 972061344 /nfs/dbraw/zinc/06/13/44/972061344.db2.gz JWFAOFDCZGPFJF-UFBFGSQYSA-N 2 0 248.330 1.178 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1cccc2ocnc21 ZINC001170900752 972068154 /nfs/dbraw/zinc/06/81/54/972068154.db2.gz PKVCHKREDJAMNI-JTQLQIEISA-N 2 0 220.276 1.263 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc([C@H]2CCC[NH2+]2)cc1 ZINC001170900984 972070675 /nfs/dbraw/zinc/07/06/75/972070675.db2.gz SNFWMOJDNFZBBQ-KGLIPLIRSA-N 3 0 248.374 1.547 20 0 BDADRP Cc1cc(N[C@H]([NH3+])CCC[NH3+])cc2cccnc12 ZINC001170901056 972070834 /nfs/dbraw/zinc/07/08/34/972070834.db2.gz VDIFGRXLCJURDT-ZDUSSCGKSA-N 2 0 244.342 1.979 20 0 BDADRP Cc1cc2cc(N[C@H]([NH3+])CCC[NH3+])ccc2[nH]1 ZINC001170901114 972070944 /nfs/dbraw/zinc/07/09/44/972070944.db2.gz WQQVRXUTQXWWEY-ZDUSSCGKSA-N 2 0 232.331 1.912 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc2[nH]cnc2c1F ZINC001170903223 972075025 /nfs/dbraw/zinc/07/50/25/972075025.db2.gz IBIPDPVZRPROSJ-VIFPVBQESA-N 2 0 237.282 1.138 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ncnc2ccc(F)cc21 ZINC001159779383 972107793 /nfs/dbraw/zinc/10/77/93/972107793.db2.gz GDFXRPVLONTHIO-NSHDSACASA-N 2 0 249.293 1.205 20 0 BDADRP CC(C)c1ccc(N[C@H]([NH3+])CCC[NH3+])nn1 ZINC001159785631 972111676 /nfs/dbraw/zinc/11/16/76/972111676.db2.gz REVWCDSUJHPGLQ-JTQLQIEISA-N 2 0 223.324 1.036 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1cc(C2CCC2)ncn1 ZINC001159787868 972115426 /nfs/dbraw/zinc/11/54/26/972115426.db2.gz CJPFLHJNPMGYQR-NSHDSACASA-N 2 0 235.335 1.180 20 0 BDADRP CCCC[C@@H](O)CN1CCCC[C@](F)(C[NH3+])C1 ZINC001246019553 972118510 /nfs/dbraw/zinc/11/85/10/972118510.db2.gz FYOIDXUBOYKYQX-OLZOCXBDSA-N 2 0 246.370 1.690 20 0 BDADRP CCCC[C@@H](O)CN1CCCC[C@@](F)(C[NH3+])C1 ZINC001246019552 972119998 /nfs/dbraw/zinc/11/99/98/972119998.db2.gz FYOIDXUBOYKYQX-CHWSQXEVSA-N 2 0 246.370 1.690 20 0 BDADRP C[C@H](Cc1ccncc1)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246074717 972129632 /nfs/dbraw/zinc/12/96/32/972129632.db2.gz BTFZBRMCZUDODH-SCRDCRAPSA-N 2 0 233.359 1.743 20 0 BDADRP [NH3+]C1(CN[C@@H]2CC[NH2+]C3(CCC3)C2)CCCC1 ZINC001246075602 972131081 /nfs/dbraw/zinc/13/10/81/972131081.db2.gz LNQFNJIBDZCHSC-GFCCVEGCSA-N 2 0 237.391 1.522 20 0 BDADRP C[C@H]([NH3+])c1nccn1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246078833 972134601 /nfs/dbraw/zinc/13/46/01/972134601.db2.gz BIGKSZWEHZGTTB-UTLUCORTSA-N 2 0 208.309 1.216 20 0 BDADRP CC(C)OCC[C@H](C)[NH2+]C1CC[NH2+]CC1 ZINC001246080428 972135501 /nfs/dbraw/zinc/13/55/01/972135501.db2.gz QZWIYVNCECLUNS-NSHDSACASA-N 2 0 214.353 1.532 20 0 BDADRP COC(=O)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC001246081847 972137171 /nfs/dbraw/zinc/13/71/71/972137171.db2.gz UHGRROWWAMAVNE-ZYHUDNBSSA-N 2 0 240.347 1.060 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C)NC2)CCO1 ZINC001246085240 972141474 /nfs/dbraw/zinc/14/14/74/972141474.db2.gz QCRWSHQDQCBANL-ZDEQEGDKSA-N 2 0 226.364 1.674 20 0 BDADRP C[C@@H]1CC[C@@H](n2c(C[NH3+])nc3ccccc32)C[NH2+]1 ZINC001246091902 972145936 /nfs/dbraw/zinc/14/59/36/972145936.db2.gz BBFBWSLLANIWTC-GHMZBOCLSA-N 2 0 244.342 1.808 20 0 BDADRP C[C@@H]1C[NH2+]CCC[C@H]1C[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246095445 972149543 /nfs/dbraw/zinc/14/95/43/972149543.db2.gz IQDCYFTTZIHGPY-RDBSUJKOSA-N 3 0 239.407 1.354 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](C[NH2+][C@H]2COC(C)(C)C2)C1 ZINC001246095670 972150094 /nfs/dbraw/zinc/15/00/94/972150094.db2.gz BXVTXZICJWQEOB-QJPTWQEYSA-N 2 0 226.364 1.389 20 0 BDADRP CCCCC[C@H]([NH2+]C)C(=O)NCCCC[NH2+]C ZINC001220077499 972153487 /nfs/dbraw/zinc/15/34/87/972153487.db2.gz MIWFVNRJCITBQX-LBPRGKRZSA-N 2 0 243.395 1.271 20 0 BDADRP C[C@@H]1CC(NC[C@@H]2C[NH2+]C[C@@H](C)C2)C[C@@H](C)[NH2+]1 ZINC001246102808 972160597 /nfs/dbraw/zinc/16/05/97/972160597.db2.gz SPXASISNCLYXKH-LOWDOPEQSA-N 2 0 239.407 1.351 20 0 BDADRP C[C@@H]1CC(NC[C@H]2C[NH2+]C[C@@H](C)C2)C[C@@H](C)[NH2+]1 ZINC001246102871 972160933 /nfs/dbraw/zinc/16/09/33/972160933.db2.gz SPXASISNCLYXKH-UMSGYPCISA-N 2 0 239.407 1.351 20 0 BDADRP C[C@@H]1C[C@H](NC[C@@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC001246108917 972172279 /nfs/dbraw/zinc/17/22/79/972172279.db2.gz IWWDLYCBEYDVQU-JHJVBQTASA-N 2 0 225.380 1.106 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](C[NH2+][C@@H]2CCO[C@@H](C)C2)C1 ZINC001246104006 972166854 /nfs/dbraw/zinc/16/68/54/972166854.db2.gz UDTVGNUNEBDIGL-WUHRBBMRSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCOC(C)(C)C1 ZINC001246113523 972177989 /nfs/dbraw/zinc/17/79/89/972177989.db2.gz RCQFPKMFDUOGQV-UPJWGTAASA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H]1C[C@@H](NC[C@@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC001246108920 972172871 /nfs/dbraw/zinc/17/28/71/972172871.db2.gz IWWDLYCBEYDVQU-UPJWGTAASA-N 2 0 225.380 1.106 20 0 BDADRP C[C@H]1CC[C@@H](C[NH2+]C2C[C@@H]3C=C[C@H](C2)O3)[NH2+]C1 ZINC001246107757 972173238 /nfs/dbraw/zinc/17/32/38/972173238.db2.gz UNTDHBSKJAVWDJ-WSOGJNRSSA-N 2 0 236.359 1.450 20 0 BDADRP COc1cccc(CC[NH2+][C@H]2CC[NH2+][C@@H](C)C2)n1 ZINC001246119226 972182521 /nfs/dbraw/zinc/18/25/21/972182521.db2.gz JADBSJGXWNDONT-AAEUAGOBSA-N 2 0 249.358 1.363 20 0 BDADRP CC[NH2+]Cc1cccc(NC2=CC[NH2+]C2)c1 ZINC001159956855 972193542 /nfs/dbraw/zinc/19/35/42/972193542.db2.gz TZLOMLWHLDJXIS-UHFFFAOYSA-N 2 0 217.316 1.695 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCc2cccc(O)c2)CC[NH2+]1 ZINC001246156670 972198494 /nfs/dbraw/zinc/19/84/94/972198494.db2.gz BDYCQGXEHVQLPC-YPMHNXCESA-N 2 0 234.343 1.665 20 0 BDADRP C[C@H]1C[C@H](NCC[NH2+]Cc2ccccc2)C[NH2+]1 ZINC001246167632 972203210 /nfs/dbraw/zinc/20/32/10/972203210.db2.gz CRIHHABKZDYYAL-JSGCOSHPSA-N 2 0 233.359 1.116 20 0 BDADRP CC[C@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+]2)CCO1 ZINC001246186116 972210253 /nfs/dbraw/zinc/21/02/53/972210253.db2.gz FDAYLNHVRKYWND-TUAOUCFPSA-N 2 0 212.337 1.286 20 0 BDADRP CC[C@@H](C)OCC[C@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC001246187241 972211779 /nfs/dbraw/zinc/21/17/79/972211779.db2.gz NEORBKOOTPYSIX-YNEHKIRRSA-N 2 0 228.380 1.922 20 0 BDADRP [NH3+][C@H]1C[C@H](N[C@@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246191650 972211875 /nfs/dbraw/zinc/21/18/75/972211875.db2.gz WUTBQXIPDNUWNM-JHJVBQTASA-N 2 0 237.391 1.521 20 0 BDADRP C[C@H]1CC[C@H]([NH2+]C2CN(C3CC[NH2+]CC3)C2)C1 ZINC001246217383 972219234 /nfs/dbraw/zinc/21/92/34/972219234.db2.gz GABWTEQHKJHXEY-RYUDHWBXSA-N 2 0 237.391 1.201 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[NH2+]CC2)CN1 ZINC001246219527 972221210 /nfs/dbraw/zinc/22/12/10/972221210.db2.gz AUQULKPLONGMHB-UPJWGTAASA-N 2 0 225.380 1.106 20 0 BDADRP CCCC[C@H]([NH2+]C)C(=O)NCC1([NH3+])CCCC1 ZINC001220495178 972232781 /nfs/dbraw/zinc/23/27/81/972232781.db2.gz ZITNTPAOKMWHOZ-NSHDSACASA-N 2 0 241.379 1.152 20 0 BDADRP CO[C@H]1CC[C@H]([NH2+][C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246235235 972239368 /nfs/dbraw/zinc/23/93/68/972239368.db2.gz GHLXCWWKQWSZAE-CYDGBPFRSA-N 2 0 226.364 1.674 20 0 BDADRP CN1CCC[C@@H](C[N@@H+]2CCCC23CC3)C1 ZINC001208603395 957091872 /nfs/dbraw/zinc/09/18/72/957091872.db2.gz CPGCGWHALDQIIH-GFCCVEGCSA-N 2 0 208.349 1.957 20 0 BDADRP C[NH+](C)[C@H]1CCCN(C[C@@H]2CCC[N@H+](C)C2)C1 ZINC001208610182 957093751 /nfs/dbraw/zinc/09/37/51/957093751.db2.gz ZNSIPDBZRLWVFJ-KGLIPLIRSA-N 2 0 239.407 1.354 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cccc3c2OCC3)C1 ZINC000692963580 957107455 /nfs/dbraw/zinc/10/74/55/957107455.db2.gz DXZCGIIPCNHJJG-UONOGXRCSA-N 2 0 246.354 1.981 20 0 BDADRP [NH3+]CCN(c1cccnc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246239328 972243909 /nfs/dbraw/zinc/24/39/09/972243909.db2.gz RJKNEDXQHQUZJU-ONXXMXGDSA-N 2 0 246.358 1.130 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCCc2cccnc2)CC[NH2+]1 ZINC001246241604 972245826 /nfs/dbraw/zinc/24/58/26/972245826.db2.gz YPECKYMHGRHDCV-JSGCOSHPSA-N 2 0 233.359 1.744 20 0 BDADRP CCC[NH+]1C[C@H]2C[NH+](CCCOC)C[C@@H]2C1 ZINC001209055445 957307613 /nfs/dbraw/zinc/30/76/13/957307613.db2.gz YPLYDOFZEJVNCS-STQMWFEESA-N 2 0 226.364 1.297 20 0 BDADRP CCOC(=O)[C@@H]1CCC[C@H]([NH2+]CC[C@H](C)[NH3+])C1 ZINC001246305171 972268342 /nfs/dbraw/zinc/26/83/42/972268342.db2.gz NNOCJSHJGLGDGF-TUAOUCFPSA-N 2 0 242.363 1.435 20 0 BDADRP CC[C@H](C)[C@@H]([NH2+]C)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC001220859524 972266358 /nfs/dbraw/zinc/26/63/58/972266358.db2.gz BHWNPDQWIAUAMO-GARJFASQSA-N 2 0 243.395 1.110 20 0 BDADRP CC[C@H](C)[C@@H]([NH3+])CC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC001220857448 972266649 /nfs/dbraw/zinc/26/66/49/972266649.db2.gz CJWGGONABSTFED-DCAQKATOSA-N 2 0 243.395 1.240 20 0 BDADRP C[C@H]([NH3+])CCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001246306958 972266834 /nfs/dbraw/zinc/26/68/34/972266834.db2.gz UKJAVVFFRGUHFN-RVMXOQNASA-N 2 0 225.380 1.329 20 0 BDADRP CC[C@H](C[NH3+])N[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246319239 972277235 /nfs/dbraw/zinc/27/72/35/972277235.db2.gz UCYOSYIOIQKZTP-KFWWJZLASA-N 2 0 247.386 1.807 20 0 BDADRP CC[C@H]([NH3+])CN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001210194837 957664095 /nfs/dbraw/zinc/66/40/95/957664095.db2.gz DVAAVQBKDKCLFS-UONOGXRCSA-N 2 0 233.359 1.370 20 0 BDADRP CC[NH+]1CCC(N[C@@H]2CCC[N@H+](C)CC2)CC1 ZINC000086818839 957697045 /nfs/dbraw/zinc/69/70/45/957697045.db2.gz GHTMNBFHXWJNLD-CYBMUJFWSA-N 2 0 239.407 1.545 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000397781565 957815158 /nfs/dbraw/zinc/81/51/58/957815158.db2.gz OWCQOYJTMLRDRF-RNJOBUHISA-N 2 0 208.349 1.859 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]C2CCC(CC[NH3+])CC2)CN1 ZINC001246332158 972295829 /nfs/dbraw/zinc/29/58/29/972295829.db2.gz DZRVUPKGFJMNHB-BLYZHGLHSA-N 2 0 239.407 1.624 20 0 BDADRP C[C@H]1CC[C@@H](n2cc3c(n2)CC[C@H]([NH3+])C3)C[NH2+]1 ZINC001246352482 972301408 /nfs/dbraw/zinc/30/14/08/972301408.db2.gz RSZOZHPERUVJRH-ZMLRMANQSA-N 2 0 234.347 1.012 20 0 BDADRP C1[C@H](N[C@H]2CCC[N@@H+](C3CCCC3)C2)C12C[NH2+]C2 ZINC001246444287 972314843 /nfs/dbraw/zinc/31/48/43/972314843.db2.gz JXSWEGICYUFQMW-JSGCOSHPSA-N 2 0 249.402 1.345 20 0 BDADRP C[C@H](C[C@H]1CCOC1)[NH2+]CC1CC[NH+](C)CC1 ZINC000689834928 958413434 /nfs/dbraw/zinc/41/34/34/958413434.db2.gz JQKDHNJGGPCNDG-TZMCWYRMSA-N 2 0 240.391 1.733 20 0 BDADRP CC1(C)C[C@H](N[C@H]2CCCC[C@H]2[NH3+])CC[NH2+]1 ZINC001246477662 972347014 /nfs/dbraw/zinc/34/70/14/972347014.db2.gz IRIALFUIQONRDK-UTUOFQBUSA-N 2 0 225.380 1.377 20 0 BDADRP C[C@@H]1CC[C@@H](N2CC[NH+](C3CCC3)CC2)C[NH2+]1 ZINC000398973271 958469122 /nfs/dbraw/zinc/46/91/22/958469122.db2.gz AJCPPELWCKONNM-TZMCWYRMSA-N 2 0 237.391 1.297 20 0 BDADRP C[C@@H]1CC[C@@H](NCC(C)(C)C[NH+](C)C)C[NH2+]1 ZINC000399023213 958481640 /nfs/dbraw/zinc/48/16/40/958481640.db2.gz GDLIURJGVWHLNN-VXGBXAGGSA-N 2 0 227.396 1.304 20 0 BDADRP C[C@H](C[NH+]1CCCC1)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000399023517 958483367 /nfs/dbraw/zinc/48/33/67/958483367.db2.gz GITDNEJFVFLLQH-JHJVBQTASA-N 2 0 225.380 1.201 20 0 BDADRP CC(C)C[NH2+][C@H](C)CNC(=O)CCC[NH+](C)C ZINC001266967695 958678082 /nfs/dbraw/zinc/67/80/82/958678082.db2.gz OKIALOLMSMOFID-GFCCVEGCSA-N 2 0 243.395 1.079 20 0 BDADRP C[N@@H+](CC(=O)OC(C)(C)C)CC1CC[NH2+]CC1 ZINC000094024307 958689924 /nfs/dbraw/zinc/68/99/24/958689924.db2.gz BZBIBGLEPIYOLF-UHFFFAOYSA-N 2 0 242.363 1.260 20 0 BDADRP CO[C@@H]1CC[C@@H]1[N@H+](C)CCC1CC[NH2+]CC1 ZINC000724153700 958741139 /nfs/dbraw/zinc/74/11/39/958741139.db2.gz SPPVRXJKCHZJSL-QWHCGFSZSA-N 2 0 226.364 1.485 20 0 BDADRP CC[C@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCS1 ZINC000693564144 958814617 /nfs/dbraw/zinc/81/46/17/958814617.db2.gz ZWTIADGHICEGOR-AXFHLTTASA-N 2 0 214.378 1.551 20 0 BDADRP CC[C@H]1CO[C@@H](C)C[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000693581595 958870417 /nfs/dbraw/zinc/87/04/17/958870417.db2.gz XWLHVZNHNXEUIX-YFKTTZPYSA-N 2 0 212.337 1.223 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2COC(C)(C)O2)CC[N@@H+]1C ZINC000300301645 958887287 /nfs/dbraw/zinc/88/72/87/958887287.db2.gz QMJQOYGUELUGSA-WOPDTQHZSA-N 2 0 242.363 1.210 20 0 BDADRP C[C@@H]([NH2+]CC(C)(C)C(C)(F)F)C1C[NH2+]C1 ZINC000686251855 959220689 /nfs/dbraw/zinc/22/06/89/959220689.db2.gz YGRWDCAVBRPUJX-MRVPVSSYSA-N 2 0 220.307 1.865 20 0 BDADRP C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222237450 972415600 /nfs/dbraw/zinc/41/56/00/972415600.db2.gz KGUGHEALFLOMLP-AGIUHOORSA-N 2 0 208.349 1.860 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](CCC2SCCS2)C1 ZINC000693778333 959279933 /nfs/dbraw/zinc/27/99/33/959279933.db2.gz WUHBVMPINVXQLU-SECBINFHSA-N 2 0 232.418 1.463 20 0 BDADRP C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222237453 972416756 /nfs/dbraw/zinc/41/67/56/972416756.db2.gz KGUGHEALFLOMLP-UPJWGTAASA-N 2 0 208.349 1.860 20 0 BDADRP CCOCC[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC001172409867 974670198 /nfs/dbraw/zinc/67/01/98/974670198.db2.gz ALKCRLYXKFYOHK-OLZOCXBDSA-N 2 0 228.380 1.875 20 0 BDADRP [NH3+][C@H]1C[C@@H](NCC[NH+]2CCCCC2)C12CCC2 ZINC000405218057 959417489 /nfs/dbraw/zinc/41/74/89/959417489.db2.gz LFDMRAOXUGKMNK-QWHCGFSZSA-N 2 0 237.391 1.332 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CCOC(F)(F)F)C12CCC2 ZINC000405213138 959418340 /nfs/dbraw/zinc/41/83/40/959418340.db2.gz DQBUPWICOBKETH-SFYZADRCSA-N 2 0 238.253 1.382 20 0 BDADRP Cc1cccnc1CC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405241444 959423079 /nfs/dbraw/zinc/42/30/79/959423079.db2.gz WJAJOWMXKRKGKU-UONOGXRCSA-N 2 0 245.370 1.792 20 0 BDADRP C[NH2+][C@@H](CCCC[NH3+])c1nnc([C@H]2C[C@H]2C)o1 ZINC001217704135 959554043 /nfs/dbraw/zinc/55/40/43/959554043.db2.gz SUWLESWPBPQQMX-UTLUCORTSA-N 2 0 238.335 1.583 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](CCc2cccc(F)c2)C1 ZINC000053031254 959571135 /nfs/dbraw/zinc/57/11/35/959571135.db2.gz YYHYZGWPCDUQJT-ZDUSSCGKSA-N 2 0 236.334 1.910 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001246531420 972440334 /nfs/dbraw/zinc/44/03/34/972440334.db2.gz QTXKAOSPFHXHBY-UONOGXRCSA-N 3 0 241.423 1.920 20 0 BDADRP C(CN1CC2(C1)CCC[NH2+]C2)[C@@H]1CCCC[NH2+]1 ZINC001222335291 972439800 /nfs/dbraw/zinc/43/98/00/972439800.db2.gz DNMNMPBZKARMIE-ZDUSSCGKSA-N 2 0 237.391 1.204 20 0 BDADRP C(CO[C@@H]1CCC[NH2+]CC1)C[C@H]1CCC[NH2+]C1 ZINC001217777401 959589301 /nfs/dbraw/zinc/58/93/01/959589301.db2.gz JRVLSTHIRWWVNN-ZIAGYGMSSA-N 2 0 240.391 1.925 20 0 BDADRP Nc1cccc(CN2CCC[C@@]3(CCC[NH2+]3)C2)c1 ZINC001222355246 972442632 /nfs/dbraw/zinc/44/26/32/972442632.db2.gz QRWUDHFTCZALTL-HNNXBMFYSA-N 2 0 245.370 1.987 20 0 BDADRP CCOCC[C@H](C)[NH2+]C[C@H]1CC[N@H+](C)C1 ZINC001172409621 974671218 /nfs/dbraw/zinc/67/12/18/974671218.db2.gz XWMGVRGVPDSLDH-NWDGAFQWSA-N 2 0 214.353 1.343 20 0 BDADRP [NH3+][C@H]1CC[C@H](CO[C@H]2CCC[NH2+]C2)CC1 ZINC001217860851 959676086 /nfs/dbraw/zinc/67/60/86/959676086.db2.gz PTDRIHQZMVZJTR-SRVKXCTJSA-N 2 0 212.337 1.273 20 0 BDADRP C[C@H]1CC[C@@H](OCC2(C)CC[NH2+]CC2)C[NH2+]1 ZINC001217909529 959742336 /nfs/dbraw/zinc/74/23/36/959742336.db2.gz FTHIUAQETNYBIM-NWDGAFQWSA-N 2 0 226.364 1.533 20 0 BDADRP C[NH+]1CCC(C[NH+]2CC3CC(C3)C2)CC1 ZINC001207399871 959743187 /nfs/dbraw/zinc/74/31/87/959743187.db2.gz XXLUQBPATSXYEA-UHFFFAOYSA-N 2 0 208.349 1.670 20 0 BDADRP [NH3+]Cc1ccc(CO[C@@H]2C[NH2+]CCC23CC3)cc1 ZINC001217910238 959743332 /nfs/dbraw/zinc/74/33/32/959743332.db2.gz ICZVYKVTPPEBGN-CQSZACIVSA-N 2 0 246.354 1.804 20 0 BDADRP C[C@H]1C[NH2+]CCC[C@@H]1Oc1cccc(C[NH3+])c1 ZINC001217991187 959821667 /nfs/dbraw/zinc/82/16/67/959821667.db2.gz JYOUIOYYLRIXDT-FZMZJTMJSA-N 2 0 234.343 1.912 20 0 BDADRP c1cc2c(c(O[C@H]3CCC4(C[NH2+]C4)C3)c1)C[NH2+]C2 ZINC001218237829 959912978 /nfs/dbraw/zinc/91/29/78/959912978.db2.gz MHNGLECRPLCFQW-LBPRGKRZSA-N 2 0 244.338 1.811 20 0 BDADRP C[C@H]1CC([NH+]2CCC(C[NH3+])CC2)C[C@H](C)[NH2+]1 ZINC001246537147 972479419 /nfs/dbraw/zinc/47/94/19/972479419.db2.gz FJNOBYRGVJPWOW-QWRGUYRKSA-N 2 0 225.380 1.186 20 0 BDADRP O=C1CCC[C@@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@@H]12 ZINC001207442896 960131516 /nfs/dbraw/zinc/13/15/16/960131516.db2.gz IIOZDHYAHTZYJL-CHWSQXEVSA-N 2 0 236.359 1.287 20 0 BDADRP Cc1n[nH]c(C)c1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC000709028637 960218801 /nfs/dbraw/zinc/21/88/01/960218801.db2.gz BRLKLPGFIVWLOL-GFCCVEGCSA-N 2 0 236.363 1.587 20 0 BDADRP C[C@H]([NH2+]CCOCC[NH+](C)C)C1(Cl)CC1 ZINC000695639626 960313957 /nfs/dbraw/zinc/31/39/57/960313957.db2.gz RWRAMWDLCQPBCC-JTQLQIEISA-N 2 0 234.771 1.314 20 0 BDADRP C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2CO)CC1 ZINC001207479935 960357583 /nfs/dbraw/zinc/35/75/83/960357583.db2.gz PYBZHAVQDDLNRV-AWEZNQCLSA-N 2 0 240.391 1.565 20 0 BDADRP Cc1nccn1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709465960 960612820 /nfs/dbraw/zinc/61/28/20/960612820.db2.gz XLZMIODBVQHNOD-FUNVUKJBSA-N 2 0 234.347 1.064 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709466108 960614390 /nfs/dbraw/zinc/61/43/90/960614390.db2.gz XTFIMOMNUIUWLR-QNMSZWNNSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@H]1C[C@H](O)CC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709488506 960620630 /nfs/dbraw/zinc/62/06/30/960620630.db2.gz BHCTVOQGKBFTNM-GVWAJWJKSA-N 2 0 224.348 1.115 20 0 BDADRP C[C@@]1(O)CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000709480467 960620862 /nfs/dbraw/zinc/62/08/62/960620862.db2.gz SMWBDHZMTQHLPH-ZGVCCVRISA-N 2 0 224.348 1.116 20 0 BDADRP Cc1cc(C[NH+]2CCC3(C[NH+](C)C3)CC2)[nH]n1 ZINC001203082134 960773479 /nfs/dbraw/zinc/77/34/79/960773479.db2.gz LVAPDSAWXGQKTQ-UHFFFAOYSA-N 2 0 234.347 1.246 20 0 BDADRP Cc1ccncc1C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001141047861 960836887 /nfs/dbraw/zinc/83/68/87/960836887.db2.gz AGIMOJLHEVEVFG-UHFFFAOYSA-N 2 0 245.370 1.918 20 0 BDADRP Cc1ncoc1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001141052375 960844222 /nfs/dbraw/zinc/84/42/22/960844222.db2.gz QYCBAUSOHGTKLI-NEPJUHHUSA-N 2 0 235.331 1.367 20 0 BDADRP C[C@H]([NH2+]CCOC1CCC1)C1CC[NH+](C)CC1 ZINC000690688006 961174922 /nfs/dbraw/zinc/17/49/22/961174922.db2.gz IJSNOUPYDPIZPK-LBPRGKRZSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1ncc(CN2CC3(C2)CC[NH+](C)CC3)cn1 ZINC001203116927 961234645 /nfs/dbraw/zinc/23/46/45/961234645.db2.gz TXJWFHNGSFONRT-UHFFFAOYSA-N 2 0 246.358 1.313 20 0 BDADRP COC(C)(C)C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000709373685 961269498 /nfs/dbraw/zinc/26/94/98/961269498.db2.gz IFSNJOBTVSUFKV-UWVGGRQHSA-N 2 0 200.326 1.142 20 0 BDADRP CCC[N@H+](C)CCN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001268240432 961473632 /nfs/dbraw/zinc/47/36/32/961473632.db2.gz KROLMQMJQXIYOE-GFCCVEGCSA-N 2 0 243.395 1.127 20 0 BDADRP C[NH+](C)CCCN(CCC[NH3+])[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167905592 961741874 /nfs/dbraw/zinc/74/18/74/961741874.db2.gz OKSGYMQUHFVXHZ-BTTYYORXSA-N 2 0 239.407 1.387 20 0 BDADRP Cc1c(N)cc[nH+]c1NC(=N)SCC[NH3+] ZINC001167910371 961814795 /nfs/dbraw/zinc/81/47/95/961814795.db2.gz RLYRLBRVWYZKGP-UHFFFAOYSA-N 2 0 225.321 1.011 20 0 BDADRP [NH3+]CCCCN1CC[NH+]([C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167923229 961978876 /nfs/dbraw/zinc/97/88/76/961978876.db2.gz BBMUECGNPOEFTA-BTTYYORXSA-N 2 0 237.391 1.141 20 0 BDADRP C[C@H]1C[C@@H]([N@@H+]2CCC3(C2)CCOCC3)CC[NH2+]1 ZINC000383104878 962208251 /nfs/dbraw/zinc/20/82/51/962208251.db2.gz CVNLSBBFGXEMPL-STQMWFEESA-N 2 0 238.375 1.629 20 0 BDADRP [NH3+]CCN(CC[NH3+])Cc1ccsc1Cl ZINC000710836384 962490025 /nfs/dbraw/zinc/49/00/25/962490025.db2.gz JZZTWNFRTXBPCX-UHFFFAOYSA-N 2 0 233.768 1.121 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](CF)C2)CC[NH2+]1 ZINC000711468337 962717671 /nfs/dbraw/zinc/71/76/71/962717671.db2.gz WQPWNOWGMPMLDQ-WOPDTQHZSA-N 2 0 214.328 1.808 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+]([C@H]3C[C@H]4C[C@H]4C3)C2)C1 ZINC001167958063 962823590 /nfs/dbraw/zinc/82/35/90/962823590.db2.gz YBGMZLTWVMRVRJ-DGAVXFQQSA-N 2 0 220.360 1.813 20 0 BDADRP Cc1c[nH+]c(N[C@@H]2CCC[C@H]([NH3+])C2)c(N)c1 ZINC001154987786 962934206 /nfs/dbraw/zinc/93/42/06/962934206.db2.gz OBMSYSNKOIHWIT-VHSXEESVSA-N 2 0 220.320 1.654 20 0 BDADRP CCN(CC)c1cc(N[C@@H]2CC[NH2+][C@@H]2C)ncn1 ZINC001155187655 963010788 /nfs/dbraw/zinc/01/07/88/963010788.db2.gz FAUJAYKQKWCOGL-GHMZBOCLSA-N 2 0 249.362 1.485 20 0 BDADRP [NH3+]CC1(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167981803 963063560 /nfs/dbraw/zinc/06/35/60/963063560.db2.gz KUMTWOOKBHKTRH-AGUYFDCRSA-N 2 0 249.402 1.473 20 0 BDADRP Cc1cc[nH+]c(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC001155514093 963096221 /nfs/dbraw/zinc/09/62/21/963096221.db2.gz BQHSCNOKAXZPJQ-UPJWGTAASA-N 2 0 247.342 1.426 20 0 BDADRP COC[C@@H]1CCC[N@@H+]1CCC[NH2+]C1CC1 ZINC000696498785 963153101 /nfs/dbraw/zinc/15/31/01/963153101.db2.gz WXCLNTUGKPMYHD-LBPRGKRZSA-N 2 0 212.337 1.239 20 0 BDADRP CC(C)(C)C[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC000713252840 963161110 /nfs/dbraw/zinc/16/11/10/963161110.db2.gz WSQYLUIYRRCZRP-VIFPVBQESA-N 2 0 220.307 1.948 20 0 BDADRP C[N@@H+]1CCC[C@@H](CCNc2cccc(N)[nH+]2)C1 ZINC001156378499 963326050 /nfs/dbraw/zinc/32/60/50/963326050.db2.gz MMXAZTNASWQFHY-NSHDSACASA-N 2 0 234.347 1.808 20 0 BDADRP Cc1ccnc(NC(=[NH2+])NCCCC[NH3+])c1 ZINC001157094471 963532560 /nfs/dbraw/zinc/53/25/60/963532560.db2.gz QNSHTMOHMCZHRF-UHFFFAOYSA-N 2 0 221.308 1.065 20 0 BDADRP [NH2+]=C(NCCCC[NH3+])Nc1cc2[nH]ccc2cn1 ZINC001157094475 963532649 /nfs/dbraw/zinc/53/26/49/963532649.db2.gz QSTVHFMMQSKFSY-UHFFFAOYSA-N 2 0 246.318 1.238 20 0 BDADRP Cc1nc(N2CCC[C@H]([NH3+])[C@@H]2C)cc(N(C)C)[nH+]1 ZINC001157734961 963710556 /nfs/dbraw/zinc/71/05/56/963710556.db2.gz ZPOFULNYLKKWLA-ONGXEEELSA-N 2 0 249.362 1.167 20 0 BDADRP Cc1cnc(N2CCC[C@H]([NH3+])[C@H]2C)c(C[NH3+])c1 ZINC001157741810 963712313 /nfs/dbraw/zinc/71/23/13/963712313.db2.gz AQEYODXQXHWZDL-PWSUYJOCSA-N 2 0 234.347 1.165 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)CCO1 ZINC001168111318 963750436 /nfs/dbraw/zinc/75/04/36/963750436.db2.gz APHGLGONNHDNIP-MQYQWHSLSA-N 2 0 238.375 1.437 20 0 BDADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]1C ZINC001157922114 963766495 /nfs/dbraw/zinc/76/64/95/963766495.db2.gz DZXLJBHHUKMRLN-RYUDHWBXSA-N 2 0 241.379 1.103 20 0 BDADRP Cc1cnc(N2C[C@@H](C)[NH2+][C@H](C)C2)c(C[NH3+])c1 ZINC001158180730 963823052 /nfs/dbraw/zinc/82/30/52/963823052.db2.gz YZPIOUKXEYFADD-GHMZBOCLSA-N 2 0 234.347 1.035 20 0 BDADRP Cc1cnc(-n2ccc([C@@H](C)[NH3+])n2)c(C[NH3+])c1 ZINC001158351030 963855466 /nfs/dbraw/zinc/85/54/66/963855466.db2.gz SBBNIJKBUXMTAC-SECBINFHSA-N 2 0 231.303 1.054 20 0 BDADRP C[N@@H+]1CCN(c2cc(N)cc[nH+]2)C2(CCCC2)C1 ZINC001158403757 963859681 /nfs/dbraw/zinc/85/96/81/963859681.db2.gz BUJIYGWXZHOWKI-UHFFFAOYSA-N 2 0 246.358 1.728 20 0 BDADRP CC[NH+]1C[C@@H]2C[NH+]([C@@H]3CCO[C@@H](C)C3)C[C@H]2C1 ZINC001168147041 963865152 /nfs/dbraw/zinc/86/51/52/963865152.db2.gz YSRBUTJJMJSDBO-REWJHTLYSA-N 2 0 238.375 1.437 20 0 BDADRP Nc1cc[nH+]c(NCC23CC[NH+](CC2)CC3)c1 ZINC001158824318 963934917 /nfs/dbraw/zinc/93/49/17/963934917.db2.gz OEHUNMSTHISQMO-UHFFFAOYSA-N 2 0 232.331 1.562 20 0 BDADRP CC1(Nc2ccc3[nH]c(N)[nH+]c3c2)CC[NH2+]CC1 ZINC001168186370 963941924 /nfs/dbraw/zinc/94/19/24/963941924.db2.gz ZZBFIJMQXLYWNV-UHFFFAOYSA-N 2 0 245.330 1.699 20 0 BDADRP Cc1cc2[nH]ccc2c(N2CC3(C2)C[NH+](C)C3)[nH+]1 ZINC001158866749 963947487 /nfs/dbraw/zinc/94/74/87/963947487.db2.gz WGSHUTYUUUMEJO-UHFFFAOYSA-N 2 0 242.326 1.623 20 0 BDADRP Cc1c(N)cc[nH+]c1N[C@H]1C[NH2+]CC[C@H]1F ZINC001168227319 964006422 /nfs/dbraw/zinc/00/64/22/964006422.db2.gz NWXRKYIOVOXELO-SCZZXKLOSA-N 2 0 224.283 1.084 20 0 BDADRP c1c(N=C2CC[NH2+]C2)onc1[C@@H]1CCCC[NH2+]1 ZINC001159312469 964056344 /nfs/dbraw/zinc/05/63/44/964056344.db2.gz BZUWLZCHCHPSMT-JTQLQIEISA-N 2 0 234.303 1.388 20 0 BDADRP C1=C(Nc2cccc3c2CC[NH2+]C3)C[NH2+]C1 ZINC001159547508 964122740 /nfs/dbraw/zinc/12/27/40/964122740.db2.gz CJAGIFKMGQSPIU-UHFFFAOYSA-N 2 0 215.300 1.231 20 0 BDADRP CCOc1cc[nH+]c(NCC[C@@H](C)[NH3+])c1 ZINC001159773214 964191645 /nfs/dbraw/zinc/19/16/45/964191645.db2.gz YDXRPZYHLMSZHS-SECBINFHSA-N 2 0 209.293 1.630 20 0 BDADRP CC(C)c1nccc(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001159784907 964194286 /nfs/dbraw/zinc/19/42/86/964194286.db2.gz MAMUHVXFXCNNIO-SECBINFHSA-N 2 0 223.324 1.036 20 0 BDADRP Cc1cccc2c1ccnc2N[C@@H]([NH3+])CCC[NH3+] ZINC001159785355 964194647 /nfs/dbraw/zinc/19/46/47/964194647.db2.gz PMCYLODUUFMZLO-CYBMUJFWSA-N 2 0 244.342 1.979 20 0 BDADRP Cc1nc(Cl)c(N[C@H]([NH3+])CCC[NH3+])nc1C ZINC001159784936 964195247 /nfs/dbraw/zinc/19/52/47/964195247.db2.gz MSLQARRHCULEHZ-QMMMGPOBSA-N 2 0 243.742 1.182 20 0 BDADRP Cc1cc(C)nc(N[C@@H]([NH3+])CCC[NH3+])c1 ZINC001159780229 964196386 /nfs/dbraw/zinc/19/63/86/964196386.db2.gz USPUYFQANIOKRF-SNVBAGLBSA-N 2 0 208.309 1.134 20 0 BDADRP Cc1c[nH]c2nc(N[C@@H]([NH3+])CCC[NH3+])ccc12 ZINC001159783580 964196855 /nfs/dbraw/zinc/19/68/55/964196855.db2.gz DUMJSMPWKUHDKX-SNVBAGLBSA-N 2 0 233.319 1.307 20 0 BDADRP Cc1nc(N[C@@H]([NH3+])CCC[NH3+])nc(C)c1Cl ZINC001159786736 964198934 /nfs/dbraw/zinc/19/89/34/964198934.db2.gz IUJLMHFKZIRNMS-MRVPVSSYSA-N 2 0 243.742 1.182 20 0 BDADRP Cc1cc(N[C@@H]([NH3+])CCC[NH3+])nc2ccccc12 ZINC001159786382 964199387 /nfs/dbraw/zinc/19/93/87/964199387.db2.gz ZEAXBZSCRXOVCG-CYBMUJFWSA-N 2 0 244.342 1.979 20 0 BDADRP CCC[NH+](C)CC(=O)N(C)CC[N@@H+](C)CCC ZINC001272158140 964290988 /nfs/dbraw/zinc/29/09/88/964290988.db2.gz CBKSBYJVAMNMEO-UHFFFAOYSA-N 2 0 243.395 1.128 20 0 BDADRP Cc1oncc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168290582 964387609 /nfs/dbraw/zinc/38/76/09/964387609.db2.gz PPYZDKVUNSWOOF-UHFFFAOYSA-N 2 0 237.347 1.945 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2CC[C@H]3OCC[C@H]32)CC1 ZINC001168313706 964417248 /nfs/dbraw/zinc/41/72/48/964417248.db2.gz GDZQVFVVIWFWST-NWINJMCUSA-N 2 0 238.375 1.722 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2CC[C@H](F)[C@H](O)C2)CC1 ZINC001168313367 964419697 /nfs/dbraw/zinc/41/96/97/964419697.db2.gz AMSJTKKOYTXNHR-IFWUJCSASA-N 2 0 244.354 1.264 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2C[C@H](F)C[C@H]2CO)CC1 ZINC001168313982 964421255 /nfs/dbraw/zinc/42/12/55/964421255.db2.gz HPVDMNSXLOXKLV-XVSSEFHLSA-N 2 0 244.354 1.264 20 0 BDADRP CC(C)[NH+]1CC(Nc2cccc(C[NH+](C)C)n2)C1 ZINC001168315824 964422445 /nfs/dbraw/zinc/42/24/45/964422445.db2.gz YFWHEFRVUMHDGC-UHFFFAOYSA-N 2 0 248.374 1.648 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2CC[C@@](F)(CO)C2)CC1 ZINC001168315568 964426086 /nfs/dbraw/zinc/42/60/86/964426086.db2.gz ZHMXPPGGQOVSAU-BPCQOVAHSA-N 2 0 244.354 1.266 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2Cc3cncnc3C2)CC1 ZINC001168315510 964426921 /nfs/dbraw/zinc/42/69/21/964426921.db2.gz XGJIEHFPPRWJPJ-UHFFFAOYSA-N 2 0 246.358 1.665 20 0 BDADRP C[C@H]1C[C@H](O)CC[N@@H+]1C1CCC([NH+](C)C)CC1 ZINC001168327884 964460394 /nfs/dbraw/zinc/46/03/94/964460394.db2.gz RULUJDMJRRJSKO-GFJIZPEISA-N 2 0 240.391 1.704 20 0 BDADRP F[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC001168357865 964522374 /nfs/dbraw/zinc/52/23/74/964522374.db2.gz ILCGGFJIMCQXKB-BJHJDKERSA-N 2 0 226.339 1.951 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000697810166 964534223 /nfs/dbraw/zinc/53/42/23/964534223.db2.gz ORTUCTJZMSSZIR-FVCCEPFGSA-N 2 0 208.349 1.703 20 0 BDADRP CCC[NH+]1CCC(NCC[C@H](C)[NH+](C)C)CC1 ZINC000697825781 964549058 /nfs/dbraw/zinc/54/90/58/964549058.db2.gz GRXMYAYGEZRQSP-ZDUSSCGKSA-N 2 0 241.423 1.791 20 0 BDADRP C(C1CC1)[NH+]1CCC([NH2+][C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC001168360215 964561383 /nfs/dbraw/zinc/56/13/83/964561383.db2.gz LNHZJYAWDLWHQC-WDNDVIMCSA-N 2 0 236.359 1.095 20 0 BDADRP C[C@H](CC[NH2+]C1CCSCC1)[NH+](C)C ZINC000697873839 964599576 /nfs/dbraw/zinc/59/95/76/964599576.db2.gz WRHKCVVSSUSHNL-SNVBAGLBSA-N 2 0 216.394 1.812 20 0 BDADRP CC[C@H](COC)[NH2+]CC[C@@H](C)[NH+](C)C ZINC000697871879 964599893 /nfs/dbraw/zinc/59/98/93/964599893.db2.gz PNEYPHORDIZWCQ-GHMZBOCLSA-N 2 0 202.342 1.341 20 0 BDADRP C[NH+](C)CCCCNc1ccc2[nH]c(N)[nH+]c2c1 ZINC001161730645 964720125 /nfs/dbraw/zinc/72/01/25/964720125.db2.gz NNSJYYSWFSHNDV-UHFFFAOYSA-N 2 0 247.346 1.899 20 0 BDADRP C[NH2+]Cc1ccc(CCC[NH+](C)C)cc1 ZINC000201140635 964756012 /nfs/dbraw/zinc/75/60/12/964756012.db2.gz HFJZFUYACQDWRI-UHFFFAOYSA-N 2 0 206.333 1.900 20 0 BDADRP C[N@@H+]1CC[C@@H](OCCC[NH+]2CCCC2)C1 ZINC001224748998 964920887 /nfs/dbraw/zinc/92/08/87/964920887.db2.gz VYQDEXSVDHUWIO-GFCCVEGCSA-N 2 0 212.337 1.193 20 0 BDADRP Cc1cc(N(C)C)nc(N[C@H]2CCC[C@@H]([NH3+])C2)[nH+]1 ZINC001162394478 964956742 /nfs/dbraw/zinc/95/67/42/964956742.db2.gz PKJLUQIINCOOLC-MNOVXSKESA-N 2 0 249.362 1.533 20 0 BDADRP F[C@@H]1C[NH2+][C@H](CNc2[nH+]ccc3c2CCN3)C1 ZINC001162473073 964990708 /nfs/dbraw/zinc/99/07/08/964990708.db2.gz ZXCSODJWJXWBBM-IUCAKERBSA-N 2 0 236.294 1.162 20 0 BDADRP C[C@@H]1C[C@@H](CNc2ccc3[nH]c(N)[nH+]c3c2)C[NH2+]1 ZINC001162556547 965050016 /nfs/dbraw/zinc/05/00/16/965050016.db2.gz JXXRPSPCHXZUME-RKDXNWHRSA-N 2 0 245.330 1.555 20 0 BDADRP OC[C@H]1CC[N@@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168379380 965085978 /nfs/dbraw/zinc/08/59/78/965085978.db2.gz JFAXSWWUVSPXRX-ZDUSSCGKSA-N 2 0 238.375 1.175 20 0 BDADRP c1cc2c(cc[nH+]c2N[C@H]2C=C[C@@H]3C[NH2+]C[C@H]32)[nH]1 ZINC001162790637 965178435 /nfs/dbraw/zinc/17/84/35/965178435.db2.gz VBNDPFNZVYSGIW-XWIASGKRSA-N 2 0 240.310 1.749 20 0 BDADRP CCCC(C[NH3+])(CCC)Nc1ccnc(N)n1 ZINC001163040591 965237309 /nfs/dbraw/zinc/23/73/09/965237309.db2.gz OLSJSGQBVGWWIF-UHFFFAOYSA-N 2 0 237.351 1.768 20 0 BDADRP Cn1c[nH+]cc1N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001163226035 965309372 /nfs/dbraw/zinc/30/93/72/965309372.db2.gz ASNQQQPJPUSEMF-SECBINFHSA-N 2 0 234.328 1.738 20 0 BDADRP [NH3+]Cc1cccc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC001163263085 965320236 /nfs/dbraw/zinc/32/02/36/965320236.db2.gz XTOVQKKYROACEN-XBFCOCLRSA-N 2 0 231.343 1.555 20 0 BDADRP CC[NH+](CC)CCCN[C@H]1CC[N@H+](CC)C1 ZINC000328199403 965383648 /nfs/dbraw/zinc/38/36/48/965383648.db2.gz ROZIQZXCDRHHRA-ZDUSSCGKSA-N 2 0 227.396 1.402 20 0 BDADRP Cc1cc(C[N@H+](C)CC2CC[NH2+]CC2)n(C)n1 ZINC000094024603 965388870 /nfs/dbraw/zinc/38/88/70/965388870.db2.gz QYLZNDBSTDTLIF-UHFFFAOYSA-N 2 0 236.363 1.160 20 0 BDADRP CN(CCC[NH+](C)C)c1[nH+]ccc2[nH]ccc21 ZINC001163595081 965471271 /nfs/dbraw/zinc/47/12/71/965471271.db2.gz ADENKQLOWQCKTK-UHFFFAOYSA-N 2 0 232.331 1.951 20 0 BDADRP C[C@H](C[NH+](C)C)Nc1c[nH+]cc2cc[nH]c21 ZINC001163776546 965583690 /nfs/dbraw/zinc/58/36/90/965583690.db2.gz CWBGCGYJQOULLB-SECBINFHSA-N 2 0 218.304 1.925 20 0 BDADRP CC[N@@H+]1CCCN(c2cc(N(C)C)cc[nH+]2)CC1 ZINC001163775205 965583926 /nfs/dbraw/zinc/58/39/26/965583926.db2.gz UWKAGSUZSHBRQD-UHFFFAOYSA-N 2 0 248.374 1.680 20 0 BDADRP [NH3+][C@H]1CCC[N@H+](CCCc2ccncc2)CC1 ZINC001205093681 965718811 /nfs/dbraw/zinc/71/88/11/965718811.db2.gz DTDOAYLBTWDOPI-AWEZNQCLSA-N 2 0 233.359 1.827 20 0 BDADRP Cc1cnc(N2C[C@H](C)CC[C@H]2C[NH3+])c(C[NH3+])c1 ZINC001164076019 965730572 /nfs/dbraw/zinc/73/05/72/965730572.db2.gz ZJSOHZJHYWSRNF-MFKMUULPSA-N 2 0 248.374 1.412 20 0 BDADRP Cc1c2[nH+]c[nH]c2ccc1N1CC[C@H]([NH3+])C1 ZINC001164281741 965825672 /nfs/dbraw/zinc/82/56/72/965825672.db2.gz LWFGXGHTWMFSNB-VIFPVBQESA-N 2 0 216.288 1.409 20 0 BDADRP CC[NH+](CC)Cc1cncc(N2CC[C@H]([NH3+])C2)c1 ZINC001164286506 965831664 /nfs/dbraw/zinc/83/16/64/965831664.db2.gz QROOMVGBBZOZGV-ZDUSSCGKSA-N 2 0 248.374 1.461 20 0 BDADRP [NH3+][C@@H]1CCC[N@H+](Cc2c[nH]c3cccnc23)CC1 ZINC001205110097 965835214 /nfs/dbraw/zinc/83/52/14/965835214.db2.gz OOUZOJNSQBYQDN-GFCCVEGCSA-N 2 0 244.342 1.876 20 0 BDADRP C[C@H]1CC[C@@H](C[NH3+])CN1c1cccc(N(C)C)[nH+]1 ZINC001164460265 965890421 /nfs/dbraw/zinc/89/04/21/965890421.db2.gz AXSHSTOXMTWXSM-RYUDHWBXSA-N 2 0 248.374 1.711 20 0 BDADRP C[C@@H]1CC[C@H](C[NH3+])CN1c1cccc(N)[nH+]1 ZINC001164460897 965893314 /nfs/dbraw/zinc/89/33/14/965893314.db2.gz FZVSWUDKRTYJHR-NXEZZACHSA-N 2 0 220.320 1.227 20 0 BDADRP Cc1c[nH+]c(N2CC(C)([NH+](C)C)C2)cc1N ZINC001165119650 965962164 /nfs/dbraw/zinc/96/21/64/965962164.db2.gz FFHWPUFMERJFQE-UHFFFAOYSA-N 2 0 220.320 1.113 20 0 BDADRP CC[C@H]1COC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000699555699 965973377 /nfs/dbraw/zinc/97/33/77/965973377.db2.gz CRMJUSWVZDMYTN-WYTNZGFTSA-N 2 0 238.375 1.626 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)CC[C@@H]1C[NH3+] ZINC000699568111 965996616 /nfs/dbraw/zinc/99/66/16/965996616.db2.gz GVFRAKDBVJCVSD-MCIONIFRSA-N 2 0 240.391 1.862 20 0 BDADRP Cc1cc(C)[nH+]c(N2CCC(F)(C[NH3+])CC2)c1 ZINC001165260672 966013781 /nfs/dbraw/zinc/01/37/81/966013781.db2.gz YMZKRPKEEVJPTK-UHFFFAOYSA-N 2 0 237.322 1.966 20 0 BDADRP c1cc2c(cc[nH+]c2N2CC[C@@H]3[NH2+]CC[C@H]32)[nH]1 ZINC001165296318 966032417 /nfs/dbraw/zinc/03/24/17/966032417.db2.gz CBRYQLOCPIOQPJ-NWDGAFQWSA-N 2 0 228.299 1.504 20 0 BDADRP C[NH+](C)C1CCC([NH2+]C2CC(CO)C2)CC1 ZINC000715256756 966058008 /nfs/dbraw/zinc/05/80/08/966058008.db2.gz QGYXACYDSMCVPD-UHFFFAOYSA-N 2 0 226.364 1.220 20 0 BDADRP CC(C)C[NH2+]CCCNC(=O)CCC[NH+](C)C ZINC001165379238 966068840 /nfs/dbraw/zinc/06/88/40/966068840.db2.gz UYJZGIYABLDAEP-UHFFFAOYSA-N 2 0 243.395 1.080 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)CC1 ZINC000691347997 966101328 /nfs/dbraw/zinc/10/13/28/966101328.db2.gz AUEFDRWYTRRESQ-CYBMUJFWSA-N 2 0 240.391 1.421 20 0 BDADRP [NH3+][C@]12CC[C@@H]1CN(Cc1cccc3nonc31)C2 ZINC001235980552 966197220 /nfs/dbraw/zinc/19/72/20/966197220.db2.gz QBPJNNPRIWDWMB-MFKMUULPSA-N 2 0 244.298 1.146 20 0 BDADRP Cc1cc(O)cc(C)c1CN1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235995972 966223280 /nfs/dbraw/zinc/22/32/80/966223280.db2.gz RWFJBHNCNTXOBF-SWLSCSKDSA-N 2 0 246.354 1.932 20 0 BDADRP CN(C[C@@H]1CCC[NH2+]1)CC(C)(C)C[NH+](C)C ZINC001236116933 966273177 /nfs/dbraw/zinc/27/31/77/966273177.db2.gz JKKGJPNDXZXOHK-LBPRGKRZSA-N 2 0 227.396 1.258 20 0 BDADRP Cc1[nH+]c(N2CCO[C@@H](C[NH3+])C2)cc2[nH]ccc21 ZINC001166939600 966459279 /nfs/dbraw/zinc/45/92/79/966459279.db2.gz KOXORTBVTSLNHV-JTQLQIEISA-N 2 0 246.314 1.035 20 0 BDADRP C[C@H]([NH3+])CN(C)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001236895699 966614955 /nfs/dbraw/zinc/61/49/55/966614955.db2.gz WLTURZDFVOBZFZ-NSHDSACASA-N 2 0 233.359 1.111 20 0 BDADRP CC/C=C\CC[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205211809 966851231 /nfs/dbraw/zinc/85/12/31/966851231.db2.gz WCBKRRJNCSFFHP-SCOBNMCVSA-N 2 0 226.364 1.518 20 0 BDADRP C[NH+]1CCC2(C[NH+](Cc3ccc[nH]3)C2)CC1 ZINC001204011592 966852835 /nfs/dbraw/zinc/85/28/35/966852835.db2.gz WAQADGXHSUZXEP-UHFFFAOYSA-N 2 0 219.332 1.542 20 0 BDADRP CCC(CC)C[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205211826 966853978 /nfs/dbraw/zinc/85/39/78/966853978.db2.gz WOYLISMYVHGRMD-CYBMUJFWSA-N 2 0 228.380 1.598 20 0 BDADRP CN1CCC[C@@H]1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715503003 966938959 /nfs/dbraw/zinc/93/89/59/966938959.db2.gz WAEFCVWRSHNPAM-JXQTWKCFSA-N 2 0 239.407 1.543 20 0 BDADRP CCC[N@@H+]1CC[C@H](CN[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000693030513 967054222 /nfs/dbraw/zinc/05/42/22/967054222.db2.gz HUBRFBSTBNSSFC-MGPQQGTHSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC[NH2+]1 ZINC000715560168 967160993 /nfs/dbraw/zinc/16/09/93/967160993.db2.gz YWSVDNOYVKXQOZ-AAVRWANBSA-N 2 0 239.407 1.589 20 0 BDADRP [NH3+]CCc1ccc(-c2cncc(C[NH3+])c2)cc1 ZINC001239804365 967201191 /nfs/dbraw/zinc/20/11/91/967201191.db2.gz PJBIDXKXZJUUOJ-UHFFFAOYSA-N 2 0 227.311 1.709 20 0 BDADRP C[C@H](Nc1ccc2c(c1)C[NH2+]C2)[C@H]1C[NH2+]CCO1 ZINC000169193577 967216913 /nfs/dbraw/zinc/21/69/13/967216913.db2.gz HBWSLHAERGLKOX-IINYFYTJSA-N 2 0 247.342 1.079 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CC[C@@H](O)C2(C)C)CC1 ZINC000691348311 967253134 /nfs/dbraw/zinc/25/31/34/967253134.db2.gz JAHFQQBFHZKIRW-GFCCVEGCSA-N 2 0 226.364 1.173 20 0 BDADRP Cc1ncoc1C[NH+]1CCC(C[NH3+])CC1 ZINC001205040358 967258291 /nfs/dbraw/zinc/25/82/91/967258291.db2.gz FQOHMWCJSZBACE-UHFFFAOYSA-N 2 0 209.293 1.154 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCC[C@@](C)(O)C2)CC1 ZINC000691350162 967262592 /nfs/dbraw/zinc/26/25/92/967262592.db2.gz NQNDGLCECOXPHV-CYBMUJFWSA-N 2 0 226.364 1.175 20 0 BDADRP CS[C@@H](C)CC[NH+]1CCC(C[NH3+])CC1 ZINC001205025699 967274544 /nfs/dbraw/zinc/27/45/44/967274544.db2.gz DAONKYRWBJZUIT-JTQLQIEISA-N 2 0 216.394 1.799 20 0 BDADRP CCc1nc(C)c(C[NH+]2CCC(C[NH3+])CC2)[nH]1 ZINC001205025726 967299356 /nfs/dbraw/zinc/29/93/56/967299356.db2.gz FRWALBZZCCYDPZ-UHFFFAOYSA-N 2 0 236.363 1.451 20 0 BDADRP Cc1c[nH]c(C[NH+]2CCC(C[NH3+])CC2)c1C ZINC001205041574 967304825 /nfs/dbraw/zinc/30/48/25/967304825.db2.gz XHKLICRQJXJRMJ-UHFFFAOYSA-N 2 0 221.348 1.802 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2ccn3nccc3c2)CC1 ZINC001205053062 967306809 /nfs/dbraw/zinc/30/68/09/967306809.db2.gz IOKPZWJKSNWCAT-UHFFFAOYSA-N 2 0 244.342 1.505 20 0 BDADRP C[C@H]1CC[C@@H](C[NH3+])N1Cc1cccn2ccnc12 ZINC001205074941 967325438 /nfs/dbraw/zinc/32/54/38/967325438.db2.gz CHPFLPCMGBMZEZ-AAEUAGOBSA-N 2 0 244.342 1.646 20 0 BDADRP CC1(C[N@@H+]2CCC[C@@H]([NH3+])CC2)CCOCC1 ZINC001205094967 967337108 /nfs/dbraw/zinc/33/71/08/967337108.db2.gz RROFEUHXSHNKEQ-GFCCVEGCSA-N 2 0 226.364 1.616 20 0 BDADRP [NH3+][C@H]1CCC[N@H+](Cc2ccc(O)cc2)CC1 ZINC001205093601 967338048 /nfs/dbraw/zinc/33/80/48/967338048.db2.gz CCJYXKHYEJCHBN-LBPRGKRZSA-N 2 0 220.316 1.705 20 0 BDADRP CN(C)c1ccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)cn1 ZINC001205101191 967345884 /nfs/dbraw/zinc/34/58/84/967345884.db2.gz BFKHSXUWGQXSRZ-CYBMUJFWSA-N 2 0 248.374 1.461 20 0 BDADRP Cc1cc(C)c(C[N@@H+]2CCC[C@@H]([NH3+])CC2)[nH]1 ZINC001205102611 967348959 /nfs/dbraw/zinc/34/89/59/967348959.db2.gz UMTVWDPURXTFAD-GFCCVEGCSA-N 2 0 221.348 1.945 20 0 BDADRP [NH3+][C@H]1CCC[N@H+](Cc2ccnc3[nH]ccc32)CC1 ZINC001205109710 967351454 /nfs/dbraw/zinc/35/14/54/967351454.db2.gz JSZRYRJFCHRQPG-LBPRGKRZSA-N 2 0 244.342 1.876 20 0 BDADRP [NH3+][C@H]1CCCN(Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001205116704 967366312 /nfs/dbraw/zinc/36/63/12/967366312.db2.gz GUQATAOSBMHCPZ-LBPRGKRZSA-N 2 0 244.342 1.876 20 0 BDADRP [NH3+][C@@H]1CCC[N@H+](Cc2ccc3c(c2)NCC3)CC1 ZINC001205124115 967370496 /nfs/dbraw/zinc/37/04/96/967370496.db2.gz KIMNKRHSYXLDGG-CQSZACIVSA-N 2 0 245.370 1.968 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccccc2N)C[C@H]1C[NH3+] ZINC001205150839 967397079 /nfs/dbraw/zinc/39/70/79/967397079.db2.gz LNAAYHLPZFLNAF-CMPLNLGQSA-N 2 0 219.332 1.295 20 0 BDADRP C[C@H]1C[N@H+](CC2OC=CC2=S)C[C@H]1C[NH3+] ZINC001205150901 967397515 /nfs/dbraw/zinc/39/75/15/967397515.db2.gz LRLUHGVNPUZKLI-DTWKUNHWSA-N 2 0 226.345 1.595 20 0 BDADRP C[C@H]1C[C@H](CO)C[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000691359758 967401703 /nfs/dbraw/zinc/40/17/03/967401703.db2.gz NMPXFWMZAYUTAM-JSGCOSHPSA-N 2 0 240.391 1.279 20 0 BDADRP CC[C@@H](CCC(=O)OC)C[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001205170925 967407771 /nfs/dbraw/zinc/40/77/71/967407771.db2.gz GPFOXJPVLDDOPN-GRYCIOLGSA-N 2 0 242.363 1.387 20 0 BDADRP CSCCC[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205257531 967446930 /nfs/dbraw/zinc/44/69/30/967446930.db2.gz WKKSUKYIISLPPR-LLVKDONJSA-N 2 0 216.394 1.943 20 0 BDADRP C[C@@]1([NH3+])CCC[N@H+](C[C@H]2CCCOC2)CC1 ZINC001205258000 967451278 /nfs/dbraw/zinc/45/12/78/967451278.db2.gz ZUPDHHQHXZKZEJ-CHWSQXEVSA-N 2 0 226.364 1.616 20 0 BDADRP CSCCC[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205538584 967681129 /nfs/dbraw/zinc/68/11/29/967681129.db2.gz NZOASQKMYDKDTP-NSHDSACASA-N 2 0 234.384 1.892 20 0 BDADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2ccon2)CC1 ZINC001205545582 967659535 /nfs/dbraw/zinc/65/95/35/967659535.db2.gz JPLJZUNUAZAVCT-NSHDSACASA-N 2 0 227.283 1.328 20 0 BDADRP CCn1cc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cn1 ZINC001205529195 967666157 /nfs/dbraw/zinc/66/61/57/967666157.db2.gz XWKJLSOHMOFOKK-KGLIPLIRSA-N 2 0 248.374 1.287 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2CCC=CO2)CC[C@H]1C[NH3+] ZINC001205602269 967716861 /nfs/dbraw/zinc/71/68/61/967716861.db2.gz IDXOLPBOHGMGAV-RDBSUJKOSA-N 2 0 238.375 1.986 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@H]2CCCO2)CC[C@H]1C[NH3+] ZINC001205601927 967720316 /nfs/dbraw/zinc/72/03/16/967720316.db2.gz GSUWZYXKGUURFP-FRRDWIJNSA-N 2 0 226.364 1.472 20 0 BDADRP Cc1ncoc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205627696 967732893 /nfs/dbraw/zinc/73/28/93/967732893.db2.gz RRUSOCFMQZJISV-ZYHUDNBSSA-N 2 0 237.347 1.790 20 0 BDADRP CS[C@@H](C)CC[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205662430 967746461 /nfs/dbraw/zinc/74/64/61/967746461.db2.gz ASRIULAEYMWDTO-RYUDHWBXSA-N 2 0 246.420 1.304 20 0 BDADRP CC[NH+]1CCC([NH2+]CCC2(C)OCCO2)CC1 ZINC000715927587 967754827 /nfs/dbraw/zinc/75/48/27/967754827.db2.gz OONJNWJEJBPQII-UHFFFAOYSA-N 2 0 242.363 1.213 20 0 BDADRP C[NH+]1CCC2(CC[N@H+](Cc3cnoc3)C2)CC1 ZINC001205703917 967791490 /nfs/dbraw/zinc/79/14/90/967791490.db2.gz NNIYZPPFBXZYIN-UHFFFAOYSA-N 2 0 235.331 1.592 20 0 BDADRP C[C@@H]1CCC[C@H](C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)O1 ZINC000701568302 967816341 /nfs/dbraw/zinc/81/63/41/967816341.db2.gz MQAHWKGYPPHVMI-LPWJVIDDSA-N 2 0 238.375 1.804 20 0 BDADRP Cc1cnccc1C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001205868048 967866500 /nfs/dbraw/zinc/86/65/00/967866500.db2.gz RNCBOSHTGAAOHA-UHFFFAOYSA-N 2 0 245.370 1.918 20 0 BDADRP C[N@H+](CCCC[NH3+])Cc1cccc(O)c1 ZINC001205895957 967876719 /nfs/dbraw/zinc/87/67/19/967876719.db2.gz SFXYTAJINMYWDS-UHFFFAOYSA-N 2 0 208.305 1.563 20 0 BDADRP N[C@H]1CCCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC001205925861 967877964 /nfs/dbraw/zinc/87/79/64/967877964.db2.gz ZQGCTZGYDMICEL-STQMWFEESA-N 2 0 225.380 1.189 20 0 BDADRP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1CCCCCO ZINC001205902255 967879509 /nfs/dbraw/zinc/87/95/09/967879509.db2.gz JIMWHUVPZNFNAP-RYUDHWBXSA-N 2 0 214.353 1.208 20 0 BDADRP [NH3+]Cc1cccc(CN2CCCC[C@H]([NH3+])C2)c1 ZINC001205938495 967891929 /nfs/dbraw/zinc/89/19/29/967891929.db2.gz IKLDUDAIPHBILB-AWEZNQCLSA-N 2 0 233.359 1.459 20 0 BDADRP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)[nH]n1 ZINC001205982521 967937109 /nfs/dbraw/zinc/93/71/09/967937109.db2.gz MGJUNUAGTKMMLO-JQWIXIFHSA-N 2 0 236.363 1.525 20 0 BDADRP C[C@H]1C[N@H+](Cc2cscn2)CCC[C@H]1C[NH3+] ZINC001205995542 967946224 /nfs/dbraw/zinc/94/62/24/967946224.db2.gz OYJFJGSWKDXUAG-QWRGUYRKSA-N 2 0 239.388 1.950 20 0 BDADRP C[C@H]1C[N@H+](Cc2cn(C)cn2)CCC[C@H]1C[NH3+] ZINC001205995913 967952067 /nfs/dbraw/zinc/95/20/67/967952067.db2.gz RSGMDVACXMHTGB-RYUDHWBXSA-N 2 0 236.363 1.227 20 0 BDADRP C[C@H]1C[N@H+](Cc2cncn2C)CCC[C@@H]1C[NH3+] ZINC001205994681 967952199 /nfs/dbraw/zinc/95/21/99/967952199.db2.gz LVGKXVKFPFFAFJ-NWDGAFQWSA-N 2 0 236.363 1.227 20 0 BDADRP Cc1ncoc1C[N@@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206003397 967954932 /nfs/dbraw/zinc/95/49/32/967954932.db2.gz HMNPVRXMQOYXJW-ZYHUDNBSSA-N 2 0 237.347 1.790 20 0 BDADRP CN(CC[NH+](C)C)c1[nH+]ccc2c1ccn2C ZINC001163590166 968078219 /nfs/dbraw/zinc/07/82/19/968078219.db2.gz UXZVPDSSKSNLTC-UHFFFAOYSA-N 2 0 232.331 1.571 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CC[C@H](N)[C@@H](F)CC2)CC1 ZINC001206154229 968091484 /nfs/dbraw/zinc/09/14/84/968091484.db2.gz HQEIAXNFOBGNKS-STQMWFEESA-N 2 0 243.370 1.089 20 0 BDADRP C[C@H]1C[NH2+]CCCN1Cc1cccc(C[NH3+])c1 ZINC001206262940 968182693 /nfs/dbraw/zinc/18/26/93/968182693.db2.gz JWVDJYIWDWMGBS-LBPRGKRZSA-N 2 0 233.359 1.329 20 0 BDADRP CC(C)[NH+]1CC(OCCC[NH+](C)C)C1 ZINC001206288034 968197272 /nfs/dbraw/zinc/19/72/72/968197272.db2.gz VGGKTHHQJPAWDD-UHFFFAOYSA-N 2 0 200.326 1.047 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@H+](CCCCCC[NH3+])CC1 ZINC001206296195 968200165 /nfs/dbraw/zinc/20/01/65/968200165.db2.gz QFTYCAHVDSDGQR-AWEZNQCLSA-N 3 0 241.423 1.956 20 0 BDADRP Cc1cncc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)n1 ZINC001206295860 968201835 /nfs/dbraw/zinc/20/18/35/968201835.db2.gz OGJWUTGIXLABGB-CQSZACIVSA-N 2 0 248.374 1.736 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cnco2)CC1 ZINC001206310881 968217392 /nfs/dbraw/zinc/21/73/92/968217392.db2.gz DVSALUNRNMKKBH-GFCCVEGCSA-N 2 0 223.320 1.626 20 0 BDADRP Cc1nc(C)c(C)c(N2C[C@H](C[NH3+])CC[C@@H]2C)n1 ZINC001164474181 968237200 /nfs/dbraw/zinc/23/72/00/968237200.db2.gz NHJHWEZMYXSBHG-ZANVPECISA-N 2 0 248.374 1.965 20 0 BDADRP Cc1nonc1C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206336140 968239274 /nfs/dbraw/zinc/23/92/74/968239274.db2.gz KBVUAOGHUQEHJT-LBPRGKRZSA-N 2 0 238.335 1.329 20 0 BDADRP C[C@]1(CO)CCC[N@H+](CCCC[NH3+])CC1 ZINC001206404624 968282697 /nfs/dbraw/zinc/28/26/97/968282697.db2.gz MOCSATJHIWLOIA-LBPRGKRZSA-N 2 0 214.353 1.210 20 0 BDADRP CC[C@@H](O)C[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC001251803162 968340501 /nfs/dbraw/zinc/34/05/01/968340501.db2.gz BQZOBCNOBLLMIP-CQSZACIVSA-N 2 0 236.359 1.609 20 0 BDADRP CC[C@@H](O)C[NH2+]CC1CC[NH+](CC(C)C)CC1 ZINC001251814141 968346883 /nfs/dbraw/zinc/34/68/83/968346883.db2.gz SDTWNDZFMOIXIF-CQSZACIVSA-N 2 0 242.407 1.715 20 0 BDADRP CC[C@@H](O)C[NH2+]CCCC1CC[NH+](C)CC1 ZINC001251813892 968349187 /nfs/dbraw/zinc/34/91/87/968349187.db2.gz CYMDMNZXINSABO-CYBMUJFWSA-N 2 0 228.380 1.469 20 0 BDADRP CC1(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)COC1 ZINC001206542292 968365900 /nfs/dbraw/zinc/36/59/00/968365900.db2.gz XGRPPUGVLNTXIL-LBPRGKRZSA-N 2 0 226.364 1.474 20 0 BDADRP C[C@]1(C[NH3+])CCCC[N@H+](C[C@H]2CCCOC2)C1 ZINC001206541992 968366107 /nfs/dbraw/zinc/36/61/07/968366107.db2.gz OQHSVHCKPHFCEI-ZIAGYGMSSA-N 2 0 240.391 1.864 20 0 BDADRP C[C@]1(C[NH3+])CCCC[N@H+](CCCC[NH3+])C1 ZINC001206541731 968366662 /nfs/dbraw/zinc/36/66/62/968366662.db2.gz IODMXKGSSWQZDP-GFCCVEGCSA-N 3 0 213.369 1.176 20 0 BDADRP C[C@@]1(C[NH3+])CCCC[N@H+](C[C@@H]2CCCOC2)C1 ZINC001206541989 968369138 /nfs/dbraw/zinc/36/91/38/968369138.db2.gz OQHSVHCKPHFCEI-KBPBESRZSA-N 2 0 240.391 1.864 20 0 BDADRP C[C@@]1(C[NH3+])CCCC[N@H+](C[C@H]2CCCOC2)C1 ZINC001206541990 968369398 /nfs/dbraw/zinc/36/93/98/968369398.db2.gz OQHSVHCKPHFCEI-KGLIPLIRSA-N 2 0 240.391 1.864 20 0 BDADRP [NH3+]CCCC[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC001119544058 968410380 /nfs/dbraw/zinc/41/03/80/968410380.db2.gz BUIRXMWQOHITMO-UHFFFAOYSA-N 3 0 233.359 1.161 20 0 BDADRP [NH3+]C[C@H]1CCCCN(CC[C@H]2CCCC[NH2+]2)C1 ZINC001206606356 968413889 /nfs/dbraw/zinc/41/38/89/968413889.db2.gz LOENEQPXXQTRJN-ZIAGYGMSSA-N 3 0 239.407 1.579 20 0 BDADRP Nc1cc[nH+]cc1CN1CCCC[C@H](C[NH3+])C1 ZINC001206615482 968418433 /nfs/dbraw/zinc/41/84/33/968418433.db2.gz FODGPISLKLNMGH-LLVKDONJSA-N 2 0 234.347 1.055 20 0 BDADRP Cc1nc[nH]c1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206616924 968419798 /nfs/dbraw/zinc/41/97/98/968419798.db2.gz UIVDZTPAWOGBBW-NSHDSACASA-N 2 0 222.336 1.279 20 0 BDADRP C[C@H](Cc1ccno1)[NH2+]CC[C@@H](C)[NH+](C)C ZINC001206838286 968492419 /nfs/dbraw/zinc/49/24/19/968492419.db2.gz NGYPOOKXDJJPOC-GHMZBOCLSA-N 2 0 225.336 1.535 20 0 BDADRP CCCC[C@@H](O)C[NH2+]CCC[NH+](CC)CC ZINC001252076815 968493021 /nfs/dbraw/zinc/49/30/21/968493021.db2.gz CFGTVBKNBYRYGB-CYBMUJFWSA-N 2 0 230.396 1.859 20 0 BDADRP C[NH+](C)CC1CC[NH+](Cc2ccc[nH]c2=O)CC1 ZINC001207007922 968542293 /nfs/dbraw/zinc/54/22/93/968542293.db2.gz ZFBVHKANSUJSFT-UHFFFAOYSA-N 2 0 249.358 1.561 20 0 BDADRP CC(C)(O)C[NH2+]CC1CC[NH+](C2CCC2)CC1 ZINC001252370736 968650364 /nfs/dbraw/zinc/65/03/64/968650364.db2.gz ZEHWSPYCQLGNHR-UHFFFAOYSA-N 2 0 240.391 1.611 20 0 BDADRP C[NH+](C)CC(C)(C)C[N@@H+]1CC[C@@H](O)[C@@H](F)CC1 ZINC001207274713 968702379 /nfs/dbraw/zinc/70/23/79/968702379.db2.gz FJLCZCPNSISUBX-NWDGAFQWSA-N 2 0 246.370 1.369 20 0 BDADRP C[C@@H]1CCC[N@H+](CC(C)(C)C[NH+](C)C)[C@@H]1CO ZINC001207274737 968706595 /nfs/dbraw/zinc/70/65/95/968706595.db2.gz FWSXJTQGQWNEEP-CHWSQXEVSA-N 2 0 242.407 1.667 20 0 BDADRP C[C@H]1CC[N@H+](CC2CC[NH+](C)CC2)CC[C@H]1O ZINC001207391660 968745862 /nfs/dbraw/zinc/74/58/62/968745862.db2.gz KSJUXIYTDPPDQY-GXTWGEPZSA-N 2 0 240.391 1.421 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)CC1 ZINC001207395533 968750515 /nfs/dbraw/zinc/75/05/15/968750515.db2.gz SZCHCHZRRVQODW-KGLIPLIRSA-N 2 0 238.375 1.439 20 0 BDADRP CC(C)O[C@H]1CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC001207399620 968751414 /nfs/dbraw/zinc/75/14/14/968751414.db2.gz PQBLJEYXRWJSFV-AWEZNQCLSA-N 2 0 240.391 1.828 20 0 BDADRP C[C@H]1C[N@H+](CC2CC[NH+](C)CC2)CC[C@]1(C)O ZINC001207393929 968752623 /nfs/dbraw/zinc/75/26/23/968752623.db2.gz FUGJLWGNYLFPGD-JSGCOSHPSA-N 2 0 240.391 1.421 20 0 BDADRP FC1(F)CC[C@@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@@H]21 ZINC001207435971 968767842 /nfs/dbraw/zinc/76/78/42/968767842.db2.gz QIRXPVGQLBUDGR-NEPJUHHUSA-N 2 0 244.329 1.963 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC001207435253 968769314 /nfs/dbraw/zinc/76/93/14/968769314.db2.gz BJUYFNAWYFDXRU-AWEZNQCLSA-N 2 0 238.375 1.489 20 0 BDADRP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CCC[C@H]1O ZINC001207436369 968769875 /nfs/dbraw/zinc/76/98/75/968769875.db2.gz IUGPLQGYGYEBIF-DGCLKSJQSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C[C@@]1(C)O ZINC001207437003 968770640 /nfs/dbraw/zinc/77/06/40/968770640.db2.gz ZITFFVUNFGVKBD-DGCLKSJQSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)CC[C@@]1(C)O ZINC001207436331 968771165 /nfs/dbraw/zinc/77/11/65/968771165.db2.gz FEVYGLMRNWHRMM-TZMCWYRMSA-N 2 0 240.391 1.469 20 0 BDADRP COC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC[NH2+]CC1 ZINC001207441188 968775106 /nfs/dbraw/zinc/77/51/06/968775106.db2.gz VVUVSRZUXIKYEK-PBWFPOADSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@@H]1C[C@@H](O)C[N@@H+]1CCC1CC[NH+](C)CC1 ZINC001207479978 968793429 /nfs/dbraw/zinc/79/34/29/968793429.db2.gz RCCSRXIOIZUWIQ-DGCLKSJQSA-N 2 0 226.364 1.173 20 0 BDADRP C[N@H+](CCC1CC[NH+](C)CC1)Cc1ccncn1 ZINC001207488001 968803221 /nfs/dbraw/zinc/80/32/21/968803221.db2.gz BLFZXOSSLSFEKN-UHFFFAOYSA-N 2 0 248.374 1.640 20 0 BDADRP OCC1CC[NH+](C[C@H]2CCCC[NH2+]C2)CC1 ZINC000829275599 968824157 /nfs/dbraw/zinc/82/41/57/968824157.db2.gz NHBZTZLSSHZEQN-ZDUSSCGKSA-N 2 0 226.364 1.080 20 0 BDADRP CO[C@H]1CCC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000829274885 968824482 /nfs/dbraw/zinc/82/44/82/968824482.db2.gz IFVZBKLZUZTLMK-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP Nc1cc[nH+]c(N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC001154978893 968835735 /nfs/dbraw/zinc/83/57/35/968835735.db2.gz VLQJFNFZBZFAKW-WCBMZHEXSA-N 2 0 206.293 1.346 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCSC3)[C@@H]2C1 ZINC001207838134 968897103 /nfs/dbraw/zinc/89/71/03/968897103.db2.gz WGTUKRFCNHMBNZ-QCNOEVLYSA-N 2 0 226.389 1.422 20 0 BDADRP CC[N@H+]1C[C@@H]2C[NH+](C[C@H]3CCCO3)C[C@@H]2C1 ZINC001207896183 968909777 /nfs/dbraw/zinc/90/97/77/968909777.db2.gz KYSONYZUGVKSNK-FRRDWIJNSA-N 2 0 224.348 1.049 20 0 BDADRP C[NH+]1CCC(C)(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)CC1 ZINC001208109341 969002974 /nfs/dbraw/zinc/00/29/74/969002974.db2.gz JTCYSOGANZDKST-BETUJISGSA-N 2 0 238.375 1.297 20 0 BDADRP C[N@H+](CC1(C)CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC001208116184 969010014 /nfs/dbraw/zinc/01/00/14/969010014.db2.gz PUCQERZYJGOFNI-CYBMUJFWSA-N 2 0 240.391 1.829 20 0 BDADRP C[NH+](C)CCN1CC[C@H]([NH+]2CCCCC2)C1 ZINC001208127348 969021041 /nfs/dbraw/zinc/02/10/41/969021041.db2.gz WUFHQRGAGYNIKR-ZDUSSCGKSA-N 2 0 225.380 1.108 20 0 BDADRP C[NH+](C)CCN1CC[C@H]([NH+]2CCCC2)[C@@H](F)C1 ZINC001208128339 969025911 /nfs/dbraw/zinc/02/59/11/969025911.db2.gz CIZJJQIEMGTMQF-STQMWFEESA-N 2 0 243.370 1.056 20 0 BDADRP C[C@H]([NH3+])c1ccc(-c2cnn(C3C[NH2+]C3)c2)cc1 ZINC001241607989 969073048 /nfs/dbraw/zinc/07/30/48/969073048.db2.gz BRVZMWZEEFIGFH-JTQLQIEISA-N 2 0 242.326 1.714 20 0 BDADRP CC[NH+](CC)C[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1C ZINC001253215321 969117123 /nfs/dbraw/zinc/11/71/23/969117123.db2.gz VZIILGOWHAKSPM-HZSPNIEDSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@@H](C[NH+](C)C)Nc1cc(N(C)C)cc[nH+]1 ZINC001155917584 969127441 /nfs/dbraw/zinc/12/74/41/969127441.db2.gz YSDVSIHBNHTNHU-JTQLQIEISA-N 2 0 222.336 1.510 20 0 BDADRP CO[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208604825 969151303 /nfs/dbraw/zinc/15/13/03/969151303.db2.gz WRUFQMIFOZCDPI-CHWSQXEVSA-N 2 0 226.364 1.439 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CCCC[C@@H]2CO)CC1 ZINC001208595143 969151389 /nfs/dbraw/zinc/15/13/89/969151389.db2.gz QGCNUMDXSAXBQV-CQSZACIVSA-N 2 0 240.391 1.565 20 0 BDADRP CCCOC1C[NH+](CC2CC[NH+](CC)CC2)C1 ZINC001208600716 969151471 /nfs/dbraw/zinc/15/14/71/969151471.db2.gz UKSZUEPAXUGAIL-UHFFFAOYSA-N 2 0 240.391 1.829 20 0 BDADRP CC[C@@H]1COCC[N@@H+]1CC1CC[NH+](CC)CC1 ZINC001208598538 969151847 /nfs/dbraw/zinc/15/18/47/969151847.db2.gz RZVVPJPDDYPEFG-CQSZACIVSA-N 2 0 240.391 1.829 20 0 BDADRP CCO[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208607936 969160478 /nfs/dbraw/zinc/16/04/78/969160478.db2.gz OQNFDNSRYMPHFS-ZIAGYGMSSA-N 2 0 240.391 1.829 20 0 BDADRP CC(C)(C)[NH2+]C[C@@H](O)CNCc1ccoc1 ZINC001253405290 969161234 /nfs/dbraw/zinc/16/12/34/969161234.db2.gz VEQBPHICPIJKEJ-NSHDSACASA-N 2 0 226.320 1.118 20 0 BDADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@H]1CC[C@@H](F)CC1 ZINC001253406088 969163840 /nfs/dbraw/zinc/16/38/40/969163840.db2.gz YEFGGRXZGCPFKQ-TUAOUCFPSA-N 2 0 246.370 1.606 20 0 BDADRP CCC[C@@H](C)[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253406396 969163632 /nfs/dbraw/zinc/16/36/32/969163632.db2.gz JMNQDNMBTKWVLY-MNOVXSKESA-N 2 0 216.369 1.514 20 0 BDADRP C[C@@H]1CN(C[C@H]2CCC[N@H+](C)C2)C[C@H](C)[NH+]1C ZINC001208612792 969170645 /nfs/dbraw/zinc/17/06/45/969170645.db2.gz NVTQSQKJLVMYEY-MJBXVCDLSA-N 2 0 239.407 1.353 20 0 BDADRP CC[N@H+]1C[C@@H]2C[NH+](CCC3CC3)C[C@@H]2C1 ZINC001208687130 969194987 /nfs/dbraw/zinc/19/49/87/969194987.db2.gz PVNQJDPDHCEOBC-BETUJISGSA-N 2 0 208.349 1.670 20 0 BDADRP Cc1cc(C[NH3+])nn1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169093590 969387235 /nfs/dbraw/zinc/38/72/35/969387235.db2.gz IUGGRRBKYJKYMO-ITGUQSILSA-N 2 0 234.347 1.448 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC[C@H]1C[NH3+])C2 ZINC001169099998 969390307 /nfs/dbraw/zinc/39/03/07/969390307.db2.gz YWIBKDHGTDZCNF-QNWHQSFQSA-N 2 0 223.364 1.035 20 0 BDADRP CC(C)N(CCC[NH3+])[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169096433 969390492 /nfs/dbraw/zinc/39/04/92/969390492.db2.gz WLXFEHIUCRCNHE-BTTYYORXSA-N 2 0 239.407 1.671 20 0 BDADRP CN([C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)(C)C[NH3+] ZINC001169100319 969391033 /nfs/dbraw/zinc/39/10/33/969391033.db2.gz ITVLOQAVYROMGN-GDNZZTSVSA-N 2 0 225.380 1.281 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCn1cccn1)C2 ZINC001169096490 969392505 /nfs/dbraw/zinc/39/25/05/969392505.db2.gz XMVIMCMPEKPLIS-CLLJXQQHSA-N 2 0 234.347 1.098 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H]1CCCO1)C2 ZINC001169077932 969400378 /nfs/dbraw/zinc/40/03/78/969400378.db2.gz BXNOHEOGCSROBX-YVECIDJPSA-N 2 0 224.348 1.380 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCCCO)C2 ZINC001169080952 969405115 /nfs/dbraw/zinc/40/51/15/969405115.db2.gz NYQYASKAZPWTLW-CLLJXQQHSA-N 2 0 226.364 1.364 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1ccnc1CC[NH3+])C2 ZINC001169091398 969406109 /nfs/dbraw/zinc/40/61/09/969406109.db2.gz QCKYPHIDQOOIDY-GDNZZTSVSA-N 2 0 234.347 1.182 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@H]1CCOC1)C2 ZINC001169091459 969410392 /nfs/dbraw/zinc/41/03/92/969410392.db2.gz ROKXXXGYSKOMCD-ZDEQEGDKSA-N 2 0 224.348 1.238 20 0 BDADRP CN(CC[NH+](C)C)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169122753 969419534 /nfs/dbraw/zinc/41/95/34/969419534.db2.gz CVESVPBXYDGXGN-ITGUQSILSA-N 2 0 225.380 1.105 20 0 BDADRP C[NH+](C)[C@H]1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169125491 969427950 /nfs/dbraw/zinc/42/79/50/969427950.db2.gz IVGKFUDIAMGXFF-RFQIPJPRSA-N 2 0 237.391 1.248 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[NH+]3CCC[C@@H]3C1)C2 ZINC001169139637 969444914 /nfs/dbraw/zinc/44/49/14/969444914.db2.gz CNJIRVOYFBDMIX-LXTVHRRPSA-N 2 0 249.402 1.392 20 0 BDADRP C[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169108174 969450254 /nfs/dbraw/zinc/45/02/54/969450254.db2.gz OZNOFEVCEPWIHF-XGFWRYKXSA-N 2 0 238.375 1.626 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C(C)(C)C(C)(C)O)C2 ZINC001169115734 969456142 /nfs/dbraw/zinc/45/61/42/969456142.db2.gz NQCPPGKFBOCQEX-CNDDSTCGSA-N 2 0 240.391 1.751 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@]13CCOC3)C2 ZINC001169153032 969461064 /nfs/dbraw/zinc/46/10/64/969461064.db2.gz GCUTUUTYDZNOKF-ZOBORPQBSA-N 2 0 236.359 1.476 20 0 BDADRP C[NH+]1CCC(c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC001254063082 969469465 /nfs/dbraw/zinc/46/94/65/969469465.db2.gz LSYGUWMQIFKGIY-GFCCVEGCSA-N 2 0 249.362 1.012 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1ccc3c1CC[NH2+]C3)C2 ZINC001169154745 969472007 /nfs/dbraw/zinc/47/20/07/969472007.db2.gz UCVPOUHEIFJTQH-WDNDVIMCSA-N 2 0 245.370 1.932 20 0 BDADRP COC(C)(C)CC[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001209410682 969477324 /nfs/dbraw/zinc/47/73/24/969477324.db2.gz UADCAJZZTFOXBN-UHFFFAOYSA-N 2 0 240.391 1.829 20 0 BDADRP C[n+]1ccccc1-n1ncc2c1cccc2C[NH3+] ZINC001169195401 969481088 /nfs/dbraw/zinc/48/10/88/969481088.db2.gz UYOASHCLLFXGEI-UHFFFAOYSA-N 2 0 239.302 1.309 20 0 BDADRP CC[NH+]1CCC(n2c(C)cnc2CC[NH3+])CC1 ZINC001169221800 969495483 /nfs/dbraw/zinc/49/54/83/969495483.db2.gz MTMHGMZJCYAFBM-UHFFFAOYSA-N 2 0 236.363 1.350 20 0 BDADRP CC[NH+]1CCC(Nc2ccc(C[NH3+])nc2)CC1 ZINC001169233807 969513420 /nfs/dbraw/zinc/51/34/20/969513420.db2.gz VBBDCRJFJFEAAS-UHFFFAOYSA-N 2 0 234.347 1.437 20 0 BDADRP CCOC(=O)C[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001254499806 969661881 /nfs/dbraw/zinc/66/18/81/969661881.db2.gz AXHIQCHAJBZYFB-NWDGAFQWSA-N 2 0 242.363 1.402 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CC[C@H](CO)CC2)CC1 ZINC001254502537 969667239 /nfs/dbraw/zinc/66/72/39/969667239.db2.gz FKMWYZUPZOSYSQ-MGPQQGTHSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@@H](Cc1cnccn1)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001254504599 969672738 /nfs/dbraw/zinc/67/27/38/969672738.db2.gz VMRHBLYMRBPTJL-QWHCGFSZSA-N 2 0 248.374 1.482 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+]CCC2COC2)CC1 ZINC001254506075 969672792 /nfs/dbraw/zinc/67/27/92/969672792.db2.gz OSDYUGYCRPVNMI-LBPRGKRZSA-N 2 0 212.337 1.097 20 0 BDADRP C[N@@H+]1CCC[C@@H](n2ccc(C[NH3+])c2)CC1 ZINC001254505461 969674798 /nfs/dbraw/zinc/67/47/98/969674798.db2.gz GORIMQGJGSWDSQ-GFCCVEGCSA-N 2 0 207.321 1.604 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+]C[C@@H](O)c2cccnc2)CC1 ZINC001254505512 969676179 /nfs/dbraw/zinc/67/61/79/969676179.db2.gz HRQLKRJMIVAKFE-ZIAGYGMSSA-N 2 0 249.358 1.189 20 0 BDADRP C[N@@H+]1CCC[C@H](n2cccc2CC[NH3+])CC1 ZINC001254509090 969679029 /nfs/dbraw/zinc/67/90/29/969679029.db2.gz VWXUAXFBLYEPLP-ZDUSSCGKSA-N 2 0 221.348 1.646 20 0 BDADRP C[C@H]1COCC[N@@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254515675 969683647 /nfs/dbraw/zinc/68/36/47/969683647.db2.gz AQCCMOCDRRFTBB-OLZOCXBDSA-N 2 0 226.364 1.439 20 0 BDADRP CC[NH+](CC)CCN(C)[C@@H]1CCC[N@H+](C)CC1 ZINC001254515895 969685784 /nfs/dbraw/zinc/68/57/84/969685784.db2.gz GFWKTJTYCZDDCQ-CQSZACIVSA-N 2 0 241.423 1.744 20 0 BDADRP C[N@@H+]1CCC[C@@H](n2ccnc2CCC[NH3+])CC1 ZINC001254514044 969688332 /nfs/dbraw/zinc/68/83/32/969688332.db2.gz IQPZVMUDXQEOTI-GFCCVEGCSA-N 2 0 236.363 1.431 20 0 BDADRP C[C@@H]1CC[C@H](CO)C[N@@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254517081 969699648 /nfs/dbraw/zinc/69/96/48/969699648.db2.gz RXZHOUIGHSHCMG-RDBSUJKOSA-N 2 0 240.391 1.564 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH+]2CCSCC2)CC1 ZINC001254521272 969711957 /nfs/dbraw/zinc/71/19/57/969711957.db2.gz USIAGPADRHZLOQ-LLVKDONJSA-N 2 0 214.378 1.520 20 0 BDADRP CO[C@H](C)C1C[NH+]([C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254532104 969724917 /nfs/dbraw/zinc/72/49/17/969724917.db2.gz PDCFXONGLUDKDZ-DGCLKSJQSA-N 2 0 226.364 1.437 20 0 BDADRP CO[C@@H](C)C1C[NH+]([C@H]2CCC[N@H+](C)CC2)C1 ZINC001254532103 969726478 /nfs/dbraw/zinc/72/64/78/969726478.db2.gz PDCFXONGLUDKDZ-AAEUAGOBSA-N 2 0 226.364 1.437 20 0 BDADRP [NH3+]Cc1ccnc(NCC[C@H]2CCC[NH2+]2)c1 ZINC001169562069 969759557 /nfs/dbraw/zinc/75/95/57/969759557.db2.gz SGYFDVYYFTXACM-LLVKDONJSA-N 2 0 220.320 1.094 20 0 BDADRP [NH3+]CCCC[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000723634708 969793397 /nfs/dbraw/zinc/79/33/97/969793397.db2.gz VKOIEPHMSSLFMY-FRRDWIJNSA-N 2 0 226.364 1.520 20 0 BDADRP [NH3+]Cc1ncccc1N[C@H]1CC2CC[NH+](CC2)C1 ZINC001254846843 969804565 /nfs/dbraw/zinc/80/45/65/969804565.db2.gz WHCDWFUMOIBDMS-LBPRGKRZSA-N 2 0 246.358 1.437 20 0 BDADRP C[N@@H+]1CCCN([C@@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254852600 969805376 /nfs/dbraw/zinc/80/53/76/969805376.db2.gz HOSKLVPWTINLPK-CQSZACIVSA-N 2 0 237.391 1.108 20 0 BDADRP [NH3+]Cc1ccn(-c2cccc3c2CC[C@H]3[NH3+])c1 ZINC001169726042 969817137 /nfs/dbraw/zinc/81/71/37/969817137.db2.gz PWIVVXXEABFQME-CYBMUJFWSA-N 2 0 227.311 1.882 20 0 BDADRP [NH3+]Cc1ccn(-c2cccc3c2C[NH2+]CC3)c1 ZINC001169725675 969817740 /nfs/dbraw/zinc/81/77/40/969817740.db2.gz JSVPQHATKYEEOX-UHFFFAOYSA-N 2 0 227.311 1.582 20 0 BDADRP C[NH+](C)CCCC[NH2+]C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254914297 969817701 /nfs/dbraw/zinc/81/77/01/969817701.db2.gz KZDARXMYGPIEGQ-VXGBXAGGSA-N 2 0 238.375 1.676 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254939523 969830767 /nfs/dbraw/zinc/83/07/67/969830767.db2.gz BYWHJXDRWHOMLO-MNUQUWEESA-N 2 0 222.332 1.214 20 0 BDADRP [NH3+]CCSCC[NH2+]C1Cc2ccccc2C1 ZINC001255015070 969847260 /nfs/dbraw/zinc/84/72/60/969847260.db2.gz TUUWUSZXQQTQIW-UHFFFAOYSA-N 2 0 236.384 1.435 20 0 BDADRP C[N@@H+]1CCC[C@@H](CCNc2cc(C[NH3+])ncn2)C1 ZINC001156377809 969850569 /nfs/dbraw/zinc/85/05/69/969850569.db2.gz GLDORJMRMMBXAI-NSHDSACASA-N 2 0 249.362 1.079 20 0 BDADRP C[NH+]1CCC(CCC[NH2+]C2CCOCC2)CC1 ZINC001255036125 969851929 /nfs/dbraw/zinc/85/19/29/969851929.db2.gz USCXDOWYFJCVAF-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](C3CCOCC3)C[C@@H]2C1 ZINC001255038428 969859953 /nfs/dbraw/zinc/85/99/53/969859953.db2.gz BSBJXZCWYWZQMQ-NEPJUHHUSA-N 2 0 224.348 1.049 20 0 BDADRP CC(C)[N@@H+]1CC[C@H]([NH2+]C2CCOCC2)[C@@H](C)C1 ZINC001255038734 969861043 /nfs/dbraw/zinc/86/10/43/969861043.db2.gz QCLQWZJAPIZHLZ-JSGCOSHPSA-N 2 0 240.391 1.874 20 0 BDADRP CC1(C)CCC([NH2+]CCOCC[NH3+])CC1 ZINC001255298068 970062374 /nfs/dbraw/zinc/06/23/74/970062374.db2.gz WOLXIEJTORGNNE-UHFFFAOYSA-N 2 0 214.353 1.520 20 0 BDADRP Cc1c2[nH+]c[nH]c2ccc1NC[C@H]1COCC[NH2+]1 ZINC001170042884 970065223 /nfs/dbraw/zinc/06/52/23/970065223.db2.gz FTCBNISEAFYXKL-JTQLQIEISA-N 2 0 246.314 1.272 20 0 BDADRP [NH2+]=C(NCCCC[NH3+])Nc1nccc2ccoc21 ZINC001157094573 970090699 /nfs/dbraw/zinc/09/06/99/970090699.db2.gz UBTLVGFGKCMLHT-UHFFFAOYSA-N 2 0 247.302 1.503 20 0 BDADRP C[N@@H+]1CC[C@H](n2cc(CC[NH3+])c3ncccc32)C1 ZINC001255417348 970138195 /nfs/dbraw/zinc/13/81/95/970138195.db2.gz KYEBMXWQLPYEKB-LBPRGKRZSA-N 2 0 244.342 1.414 20 0 BDADRP CN1CC[C@H]([NH2+]C2CCC(C[NH+](C)C)CC2)C1 ZINC001255426481 970151490 /nfs/dbraw/zinc/15/14/90/970151490.db2.gz NEQAANROXGVPQD-RUXDESIVSA-N 2 0 239.407 1.401 20 0 BDADRP C[N@@H+]1CC[C@H](N2CC3(C2)CC[NH+](CC2CC2)C3)C1 ZINC001255433080 970157843 /nfs/dbraw/zinc/15/78/43/970157843.db2.gz VBQMWHVFBVJZJF-AWEZNQCLSA-N 2 0 249.402 1.108 20 0 BDADRP C[NH2+]Cc1cccc(Nc2[nH+]ccn2C)c1 ZINC001211134276 970158793 /nfs/dbraw/zinc/15/87/93/970158793.db2.gz HJGRLTHAYGEBQY-UHFFFAOYSA-N 2 0 216.288 1.883 20 0 BDADRP C[NH2+]Cc1ccc(-n2c[nH+]c(C)c2N)cc1 ZINC001211130796 970159357 /nfs/dbraw/zinc/15/93/57/970159357.db2.gz YKNFRFGWTHHONJ-UHFFFAOYSA-N 2 0 216.288 1.482 20 0 BDADRP CN(CCC[NH+]1CCCC1)[C@@H]1CC[N@H+](C)C1 ZINC001255435291 970160581 /nfs/dbraw/zinc/16/05/81/970160581.db2.gz DGQIGZXCVPWBFW-CYBMUJFWSA-N 2 0 225.380 1.108 20 0 BDADRP CCN(CC[NH+]1CCCCC1)[C@H]1CC[N@H+](C)C1 ZINC001255439543 970170567 /nfs/dbraw/zinc/17/05/67/970170567.db2.gz VEEIGFPSCPZAQZ-AWEZNQCLSA-N 2 0 239.407 1.498 20 0 BDADRP CC[NH+](CC)[C@@H]1CCN([C@@H]2CC[N@H+](C)C2)C1 ZINC001255439032 970171873 /nfs/dbraw/zinc/17/18/73/970171873.db2.gz QCFHCBXYMUGWLN-CHWSQXEVSA-N 2 0 225.380 1.107 20 0 BDADRP COC1CCC([NH2+][C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC001255455781 970184175 /nfs/dbraw/zinc/18/41/75/970184175.db2.gz NLHSBEQKCJGNSZ-MMVSWEMESA-N 2 0 212.337 1.413 20 0 BDADRP C[N@@H+]1CCC[C@@H](Nc2cccc(F)c2C[NH3+])C1 ZINC001255467372 970195586 /nfs/dbraw/zinc/19/55/86/970195586.db2.gz BKFQRUVLOYTOEO-SNVBAGLBSA-N 2 0 237.322 1.791 20 0 BDADRP CN1CCC[C@H]([NH2+]Cc2ccccc2C[NH3+])C1 ZINC001255473444 970207894 /nfs/dbraw/zinc/20/78/94/970207894.db2.gz UPCINUGZAXPZDH-AWEZNQCLSA-N 2 0 233.359 1.329 20 0 BDADRP C[N@@H+]1CCC[C@@H](n2c(C[NH3+])cc3ccncc32)C1 ZINC001255475064 970207943 /nfs/dbraw/zinc/20/79/43/970207943.db2.gz KWOWBUZOXFUTDY-GFCCVEGCSA-N 2 0 244.342 1.762 20 0 BDADRP C[N@@H+]1CCC[C@@H](N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC001255487775 970239243 /nfs/dbraw/zinc/23/92/43/970239243.db2.gz VGWBOWCAWIGTJN-ZIAGYGMSSA-N 2 0 237.391 1.251 20 0 BDADRP C[N@H+](C1CC1)[C@H]1CCN([C@H]2CCC[NH+](C)C2)C1 ZINC001255492884 970253938 /nfs/dbraw/zinc/25/39/38/970253938.db2.gz NDOWYYFYJBIYGB-KBPBESRZSA-N 2 0 237.391 1.249 20 0 BDADRP CC(C)[N@H+](C)[C@H]1CCN([C@H]2CCC[NH+](C)C2)C1 ZINC001255493453 970254498 /nfs/dbraw/zinc/25/44/98/970254498.db2.gz YCUWBORMFFELLE-KBPBESRZSA-N 2 0 239.407 1.495 20 0 BDADRP COC[C@@H](C)[NH2+]CCCC1CC[NH+](C)CC1 ZINC001255561412 970344891 /nfs/dbraw/zinc/34/48/91/970344891.db2.gz BQFRTTNASSZBJP-GFCCVEGCSA-N 2 0 228.380 1.733 20 0 BDADRP [NH3+][C@@H]1CCN(Cc2cccc(C3=CC[NH2+]C3)c2)C1 ZINC001243110762 970353875 /nfs/dbraw/zinc/35/38/75/970353875.db2.gz FENQBKCYBIBFBG-OAHLLOKOSA-N 2 0 243.354 1.206 20 0 BDADRP CN1CC2(C1)CCC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001276709796 970475915 /nfs/dbraw/zinc/47/59/15/970475915.db2.gz PRYMTGNZOJPZHN-UHFFFAOYSA-N 2 0 237.391 1.014 20 0 BDADRP Cc1cc2[nH]ccc2c(N2C[C@@H]3C[NH2+][C@@H]3C2)[nH+]1 ZINC001157624299 970493963 /nfs/dbraw/zinc/49/39/63/970493963.db2.gz WZXFIXVKZZNLGU-JOYOIKCWSA-N 2 0 228.299 1.279 20 0 BDADRP CCC[NH+]1C[C@@H]2CN(c3cccc(N)[nH+]3)C[C@H]2C1 ZINC001157691008 970539326 /nfs/dbraw/zinc/53/93/26/970539326.db2.gz NJMUDCSBIUSERN-VXGBXAGGSA-N 2 0 246.358 1.442 20 0 BDADRP CC[C@@H]1C[C@@H]([N@H+](C)C[C@H](C)C[NH3+])CCO1 ZINC001170182607 970556673 /nfs/dbraw/zinc/55/66/73/970556673.db2.gz NJWQBDHFWWZNMU-GRYCIOLGSA-N 2 0 214.353 1.471 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]C[C@@H](C)C[NH3+])CCO1 ZINC001170182172 970558566 /nfs/dbraw/zinc/55/85/66/970558566.db2.gz MNUILGSSIMFKAL-HBNTYKKESA-N 2 0 200.326 1.128 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]CCSCC[NH3+])CCO1 ZINC001170181365 970559286 /nfs/dbraw/zinc/55/92/86/970559286.db2.gz HNTLWUFHDAFJEV-GHMZBOCLSA-N 2 0 232.393 1.226 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N1CCC(C)([NH3+])CC1 ZINC001255948009 970562639 /nfs/dbraw/zinc/56/26/39/970562639.db2.gz CHGBASSLMOMFCM-CYBMUJFWSA-N 2 0 241.423 1.920 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]CCOC ZINC001255940449 970568292 /nfs/dbraw/zinc/56/82/92/970568292.db2.gz YEGTTXULHYPFRS-NSHDSACASA-N 2 0 202.342 1.343 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+][C@H]1CC[C@H](O)CC1 ZINC001255939285 970569426 /nfs/dbraw/zinc/56/94/26/970569426.db2.gz BEARMQITGWZNDU-IHRRRGAJSA-N 2 0 242.407 2.000 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H]1CCC[C@H]1O ZINC001255941400 970571264 /nfs/dbraw/zinc/57/12/64/970571264.db2.gz PWVNQPVTCHGTTE-JHJVBQTASA-N 2 0 228.380 1.610 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N1CCC[C@@H]([NH3+])C1 ZINC001255942032 970577372 /nfs/dbraw/zinc/57/73/72/970577372.db2.gz BHCZZPPUEVEBGN-CHWSQXEVSA-N 2 0 227.396 1.530 20 0 BDADRP C[C@@H]([NH2+]CCCCCCO)[C@@H]1CCC[NH2+]1 ZINC000400360357 970582101 /nfs/dbraw/zinc/58/21/01/970582101.db2.gz CXNLCCWEVQWCGS-NEPJUHHUSA-N 2 0 214.353 1.269 20 0 BDADRP C[C@H](NC[C@@H](O)c1ccsc1)[C@@H]1CCC[NH2+]1 ZINC000400345982 970581133 /nfs/dbraw/zinc/58/11/33/970581133.db2.gz KJKHGNONMUZDJT-ZMLRMANQSA-N 2 0 240.372 1.512 20 0 BDADRP C[C@@H]([NH2+]Cc1cscn1)C1CC[NH2+]CC1 ZINC000400363095 970583389 /nfs/dbraw/zinc/58/33/89/970583389.db2.gz QQNBELHRVJCYTA-SECBINFHSA-N 2 0 225.361 1.621 20 0 BDADRP COC[C@H]([NH2+][C@H](C)C1CC[NH2+]CC1)C1CC1 ZINC000400384339 970584451 /nfs/dbraw/zinc/58/44/51/970584451.db2.gz LJFWPAOYOVPZRI-MFKMUULPSA-N 2 0 226.364 1.389 20 0 BDADRP CSC(C)(C)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400479831 970593945 /nfs/dbraw/zinc/59/39/45/970593945.db2.gz BPBDWRRNFPGZAA-NXEZZACHSA-N 2 0 216.394 1.858 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[N@H+](CC)CCC(N)=O ZINC001255961111 970603925 /nfs/dbraw/zinc/60/39/25/970603925.db2.gz KQBZINLEVMFDDS-LBPRGKRZSA-N 2 0 243.395 1.304 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)[C@H]1CCOC1 ZINC000400630626 970610312 /nfs/dbraw/zinc/61/03/12/970610312.db2.gz GMTKRPNZYUMFKP-LOWVWBTDSA-N 2 0 226.364 1.389 20 0 BDADRP [NH3+]CCc1cncn1C1CC[NH+](C2CC2)CC1 ZINC001256066912 970630658 /nfs/dbraw/zinc/63/06/58/970630658.db2.gz XXPMIIQVMIKGIR-UHFFFAOYSA-N 2 0 234.347 1.184 20 0 BDADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)C1CC[NH2+]CC1 ZINC000400809479 970634182 /nfs/dbraw/zinc/63/41/82/970634182.db2.gz XPMNYNWUORCFEC-SGMGOOAPSA-N 2 0 240.391 1.779 20 0 BDADRP C[NH+]1CC(CNc2ccc([C@H]3CCC[NH2+]3)cn2)C1 ZINC001170252479 970657922 /nfs/dbraw/zinc/65/79/22/970657922.db2.gz NSHDEPMTYCIOAP-CYBMUJFWSA-N 2 0 246.358 1.480 20 0 BDADRP Cc1cc2[nH+]ccn2cc1NCC1C[NH+](C)C1 ZINC001170254461 970667601 /nfs/dbraw/zinc/66/76/01/970667601.db2.gz LQMWOIPAJGTEPQ-UHFFFAOYSA-N 2 0 230.315 1.616 20 0 BDADRP COc1cccc(C[C@@H](C)[NH2+]C[C@H](C)C[NH3+])c1 ZINC001256152961 970673248 /nfs/dbraw/zinc/67/32/48/970673248.db2.gz FUSVWAGCZLXDBL-VXGBXAGGSA-N 2 0 236.359 1.811 20 0 BDADRP C[NH+]1CCC(n2ccc3cc(C[NH3+])cnc32)CC1 ZINC001256195463 970689986 /nfs/dbraw/zinc/68/99/86/970689986.db2.gz XGTSCIMIUYJQTM-UHFFFAOYSA-N 2 0 244.342 1.762 20 0 BDADRP C[NH+]1CCC(Nc2ccc(C[NH3+])nc2)CC1 ZINC001256200311 970693368 /nfs/dbraw/zinc/69/33/68/970693368.db2.gz PKHJHMNMENGHFX-UHFFFAOYSA-N 2 0 220.320 1.046 20 0 BDADRP C[NH+]1CCC(n2ccc3c2CC[NH2+]C3)CC1 ZINC001256211295 970720024 /nfs/dbraw/zinc/72/00/24/970720024.db2.gz UESQKOXFXOPZNI-UHFFFAOYSA-N 2 0 219.332 1.401 20 0 BDADRP CC(C)CC[C@@H](C)[NH2+]CCN(C)CC[NH3+] ZINC001256357990 970759179 /nfs/dbraw/zinc/75/91/79/970759179.db2.gz OGEZGROFMSACIJ-GFCCVEGCSA-N 2 0 215.385 1.291 20 0 BDADRP CC[NH2+]CCN1Cc2ccccc2[C@@H]2C[NH2+]C[C@@H]21 ZINC001222557591 972562494 /nfs/dbraw/zinc/56/24/94/972562494.db2.gz CAVKNDHSWRAMRB-GJZGRUSLSA-N 2 0 245.370 1.167 20 0 BDADRP [NH3+][C@@H]1CN(CCC2CC[NH2+]CC2)CC(F)(F)C1 ZINC001206116959 972615077 /nfs/dbraw/zinc/61/50/77/972615077.db2.gz HWOQHXKPAOCUSP-NSHDSACASA-N 2 0 247.333 1.044 20 0 BDADRP C[C@H]1CC[C@@H](C[NH3+])N1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001246546563 972645991 /nfs/dbraw/zinc/64/59/91/972645991.db2.gz NBVBBPXALHFJMR-HPCHECBXSA-N 2 0 237.391 1.423 20 0 BDADRP Cc1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)[nH]n1 ZINC001327679260 972695781 /nfs/dbraw/zinc/69/57/81/972695781.db2.gz FWJNGGLXISZWHN-KLPPZKSPSA-N 2 0 222.336 1.148 20 0 BDADRP C[N@@H+]1CCC[C@@H](N2CCC[C@H]([NH3+])CC2)CC1 ZINC001246550978 972725646 /nfs/dbraw/zinc/72/56/46/972725646.db2.gz ZOHNJRWPGCCYDB-QWHCGFSZSA-N 2 0 225.380 1.284 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246551678 972730126 /nfs/dbraw/zinc/73/01/26/972730126.db2.gz UPLQYQBFSFEGRR-MGPQQGTHSA-N 3 0 241.423 1.918 20 0 BDADRP C[C@@H]1CCN([C@@H]2CCCC[NH2+]C2)C[C@@H]1C[NH3+] ZINC001246552879 972739500 /nfs/dbraw/zinc/73/95/00/972739500.db2.gz PRPPTWOCEMTGGR-FRRDWIJNSA-N 2 0 225.380 1.045 20 0 BDADRP C[C@H]1C[C@H]([N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)CCO1 ZINC001246553609 972744928 /nfs/dbraw/zinc/74/49/28/972744928.db2.gz BNEOQQJGGNXRRC-HBNTYKKESA-N 2 0 248.317 1.470 20 0 BDADRP [NH3+]CCCCCCN1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001206117780 972749126 /nfs/dbraw/zinc/74/91/26/972749126.db2.gz WKDPWAMCKHMSKE-JTQLQIEISA-N 2 0 235.322 1.174 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH3+])N([C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246553549 972751226 /nfs/dbraw/zinc/75/12/26/972751226.db2.gz BDIGKGYSBQTSRC-XQHKEYJVSA-N 2 0 225.380 1.186 20 0 BDADRP C[C@@H]1CC[C@H](C[NH3+])N([C@H]2CCCC[NH2+]C2)C1 ZINC001246557612 972774741 /nfs/dbraw/zinc/77/47/41/972774741.db2.gz MRHQIGADZYIBBE-UPJWGTAASA-N 2 0 225.380 1.188 20 0 BDADRP [NH3+]C[C@@H]1C[N@@H+]([C@@H]2CCSC2)CCC1(F)F ZINC001246559965 972785876 /nfs/dbraw/zinc/78/58/76/972785876.db2.gz OIKCSATXQAZZKT-RKDXNWHRSA-N 2 0 236.331 1.408 20 0 BDADRP [NH3+]C[C@@]1(O)CCCC[N@@H+](C2CCSCC2)C1 ZINC001246565251 972807200 /nfs/dbraw/zinc/80/72/00/972807200.db2.gz YNYCRTYLUBDDGU-LBPRGKRZSA-N 2 0 244.404 1.058 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N2CC[C@@H](C)[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246566753 972815232 /nfs/dbraw/zinc/81/52/32/972815232.db2.gz IMXOAWOXLUTLCW-RFGFWPKPSA-N 2 0 239.407 1.432 20 0 BDADRP CC(C)([NH3+])CNc1ccc2c(c1)C[NH2+]C2 ZINC001171196062 972854313 /nfs/dbraw/zinc/85/43/13/972854313.db2.gz PUULSCMZTKQBDI-UHFFFAOYSA-N 2 0 205.305 1.439 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@@H+]([C@@H]2CCCOC2)CC1 ZINC001246577902 972892926 /nfs/dbraw/zinc/89/29/26/972892926.db2.gz QRLGLQOWLTVIHR-OLZOCXBDSA-N 2 0 226.364 1.616 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@](C)(C[NH3+])CC2)CC[NH2+]1 ZINC001246579277 972916309 /nfs/dbraw/zinc/91/63/09/972916309.db2.gz UAQNBBQHRXTQQA-RDBSUJKOSA-N 3 0 239.407 1.578 20 0 BDADRP C[C@H]1CC([NH+]2CC(C)(C[NH3+])C2)C[C@H](C)O1 ZINC001246596807 973014321 /nfs/dbraw/zinc/01/43/21/973014321.db2.gz KMJVSRMMVAIZHV-UWVGGRQHSA-N 2 0 212.337 1.223 20 0 BDADRP C[NH2+]CC[C@H](C)[N@@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001246604642 973024714 /nfs/dbraw/zinc/02/47/14/973024714.db2.gz HYAOMXZWLVQXPQ-UONOGXRCSA-N 3 0 239.407 1.593 20 0 BDADRP C[NH2+]CC[C@@H](C)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC001246609288 973032505 /nfs/dbraw/zinc/03/25/05/973032505.db2.gz MDEYIGRBUHEFTA-CHWSQXEVSA-N 2 0 225.380 1.060 20 0 BDADRP C1CN([C@H]2CCCC[NH2+]C2)[C@]2(C1)CCC[NH2+]C2 ZINC001246609249 973032909 /nfs/dbraw/zinc/03/29/09/973032909.db2.gz KYXBNZJXSFFQPK-KBPBESRZSA-N 2 0 237.391 1.347 20 0 BDADRP C1[C@@H]2[C@H]1NCC[N@H+]2C1CCC2(CCC[NH2+]C2)CC1 ZINC001246661240 973075565 /nfs/dbraw/zinc/07/55/65/973075565.db2.gz KOVPWMKCACQRGC-RAFNIBEQSA-N 2 0 249.402 1.345 20 0 BDADRP CC(C)C[C@H]([NH3+])C(=O)NCc1ccccc1C[NH3+] ZINC001328478556 973089442 /nfs/dbraw/zinc/08/94/42/973089442.db2.gz QNXZBDSDMMUQEW-ZDUSSCGKSA-N 2 0 249.358 1.135 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@]3(CCO3)C2)CC[NH2+]1 ZINC001246828664 973122992 /nfs/dbraw/zinc/12/29/92/973122992.db2.gz FMZWIVPRJVBWCH-FRRDWIJNSA-N 2 0 224.348 1.382 20 0 BDADRP CCc1ccc(C[C@H](C)N(CC[NH3+])CC[NH3+])cc1 ZINC001246835974 973134292 /nfs/dbraw/zinc/13/42/92/973134292.db2.gz XQHTUSAALQTGSM-ZDUSSCGKSA-N 2 0 249.402 1.399 20 0 BDADRP CC[C@@H]1C[C@@H](N2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])CC[NH2+]1 ZINC001246841076 973137757 /nfs/dbraw/zinc/13/77/57/973137757.db2.gz LXDFVNURPTYMIM-XHJNMGKDSA-N 2 0 237.391 1.186 20 0 BDADRP C[C@@H]1CC([N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)C[C@@H](C)O1 ZINC001246858650 973166718 /nfs/dbraw/zinc/16/67/18/973166718.db2.gz GNHJFQYOKFZUQV-DCQANWLSSA-N 2 0 224.348 1.366 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2C[C@@H]3CC[C@]3([NH3+])C2)CC[NH2+]1 ZINC001246857752 973169063 /nfs/dbraw/zinc/16/90/63/973169063.db2.gz BRJPVOBUMMIXQE-CRWXNKLISA-N 2 0 237.391 1.186 20 0 BDADRP [NH3+][C@]12CC[C@@H]1CN([C@H]1CC[NH2+]C3(CCC3)C1)C2 ZINC001246856496 973172951 /nfs/dbraw/zinc/17/29/51/973172951.db2.gz XMRJGNRZFYUJAY-DYEKYZERSA-N 2 0 235.375 1.084 20 0 BDADRP CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001146603286 973181932 /nfs/dbraw/zinc/18/19/32/973181932.db2.gz WOQIEYJWGLFCRQ-RYUDHWBXSA-N 2 0 243.395 1.219 20 0 BDADRP C1CC1N(C1C[NH2+]C1)[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246864330 973190311 /nfs/dbraw/zinc/19/03/11/973190311.db2.gz OLFOMPJJBNJYPZ-GFCCVEGCSA-N 2 0 235.375 1.097 20 0 BDADRP C[C@H]1CN([C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)[C@@H](C)C[NH2+]1 ZINC001246870281 973248877 /nfs/dbraw/zinc/24/88/77/973248877.db2.gz KBVLQDBTKOGHNF-YHQUGGNUSA-N 2 0 237.391 1.342 20 0 BDADRP C[NH2+][C@@H](C)CC[NH2+]Cc1ccc(F)cc1 ZINC001328677098 973256615 /nfs/dbraw/zinc/25/66/15/973256615.db2.gz JUOIYHKIUHJMOW-JTQLQIEISA-N 2 0 210.296 1.913 20 0 BDADRP C[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)C[NH2+]1 ZINC001246875150 973272333 /nfs/dbraw/zinc/27/23/33/973272333.db2.gz XQPBCQDUYOSPGS-OOCWMUITSA-N 2 0 212.312 1.274 20 0 BDADRP CCC[C@H]1CN([C@H]2CC[NH2+]C(C)(C)C2)CC[NH2+]1 ZINC001246902687 973362506 /nfs/dbraw/zinc/36/25/06/973362506.db2.gz LZAGHOFRPPHQGX-STQMWFEESA-N 2 0 239.407 1.591 20 0 BDADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C[C@H]1CCC[NH2+]C1 ZINC000720891289 973378998 /nfs/dbraw/zinc/37/89/98/973378998.db2.gz DZMJXKMQTVSACY-BFHYXJOUSA-N 2 0 237.391 1.155 20 0 BDADRP CCCC[C@@H]1C[C@H](N2CCC[C@@H]2C[NH3+])CC[NH2+]1 ZINC001246907628 973404364 /nfs/dbraw/zinc/40/43/64/973404364.db2.gz FZRQYBUYNZKMPC-MGPQQGTHSA-N 2 0 239.407 1.720 20 0 BDADRP CC[C@@H]1C[C@H](N(C)[C@H]2CCCC[C@@H]2[NH3+])CC[NH2+]1 ZINC001246907517 973404644 /nfs/dbraw/zinc/40/46/44/973404644.db2.gz AHXVVCLKVQFYKO-MQYQWHSLSA-N 2 0 239.407 1.719 20 0 BDADRP CN([C@@H]1CCCC[NH2+]C1)[C@@]1(C)CCC[NH2+]C1 ZINC001246909258 973411909 /nfs/dbraw/zinc/41/19/09/973411909.db2.gz HQDAVJSGPOCQSW-OLZOCXBDSA-N 2 0 225.380 1.202 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC001329023701 973433022 /nfs/dbraw/zinc/43/30/22/973433022.db2.gz NEMMMTFLWXFVHA-FDYHWXHSSA-N 2 0 240.391 1.778 20 0 BDADRP C[C@@H]1CC[C@H](N(C)[C@H]2CCCC[C@@H]2[NH3+])C[NH2+]1 ZINC001246910131 973439176 /nfs/dbraw/zinc/43/91/76/973439176.db2.gz KSCCCQLTXKBMED-VOAKCMCISA-N 2 0 225.380 1.329 20 0 BDADRP C[C@@H]1CC[C@H](N2C[C@H]3[C@H](C2)CCC[N@@H+]3C)C[NH2+]1 ZINC001246921710 973497930 /nfs/dbraw/zinc/49/79/30/973497930.db2.gz VFSMGQQOWQGLAR-RFGFWPKPSA-N 2 0 237.391 1.153 20 0 BDADRP C[NH+]1CCC(CO[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001224453547 973660252 /nfs/dbraw/zinc/66/02/52/973660252.db2.gz LKVDDFZTXFXZKP-AWEZNQCLSA-N 2 0 238.375 1.439 20 0 BDADRP C1C[C@@H](N([C@@H]2CC[NH2+]C2)C2CCCCC2)C[NH2+]1 ZINC001246975241 973716835 /nfs/dbraw/zinc/71/68/35/973716835.db2.gz BKUDHOIFHSQIJQ-ZIAGYGMSSA-N 2 0 237.391 1.345 20 0 BDADRP C[C@@H]1C[C@@H](N(C2CCC2)[C@@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001246984820 973740762 /nfs/dbraw/zinc/74/07/62/973740762.db2.gz HNYOCYGNPLLKBV-MRVWCRGKSA-N 2 0 237.391 1.343 20 0 BDADRP CC[N@@H+]1CCC[C@H](OC[C@@H]2CCCC[NH+]2C)C1 ZINC001224704610 973875542 /nfs/dbraw/zinc/87/55/42/973875542.db2.gz BFEMNGPQMXGTKO-KBPBESRZSA-N 2 0 240.391 1.972 20 0 BDADRP [NH3+]CCCC[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC001329744165 973908215 /nfs/dbraw/zinc/90/82/15/973908215.db2.gz WSDRFMUGFYXOGU-UHFFFAOYSA-N 3 0 239.388 1.222 20 0 BDADRP [NH3+]Cc1nccnc1Nc1cc[nH+]c(C2CC2)c1 ZINC001171448965 974070305 /nfs/dbraw/zinc/07/03/05/974070305.db2.gz FUKUDSFRXPQUPP-UHFFFAOYSA-N 2 0 241.298 1.951 20 0 BDADRP C[NH+]1C(C)(C)CC(NC(C)(C)C[NH3+])CC1(C)C ZINC001171619370 974116578 /nfs/dbraw/zinc/11/65/78/974116578.db2.gz LTLXJANPXWTGJG-UHFFFAOYSA-N 2 0 241.423 1.965 20 0 BDADRP C[C@H](O)CC[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171625162 974120462 /nfs/dbraw/zinc/12/04/62/974120462.db2.gz DGBUSEMNTUKXAG-NSHDSACASA-N 2 0 242.407 1.998 20 0 BDADRP CC[N@@H+]1CCC[C@H](OCCCC[NH+](C)C)C1 ZINC001224991290 974123500 /nfs/dbraw/zinc/12/35/00/974123500.db2.gz QLLZRCRAKWMGAZ-ZDUSSCGKSA-N 2 0 228.380 1.829 20 0 BDADRP C[C@H](C[NH3+])C[N@H+](C)[C@@H]1Cc2cccc(F)c2C1 ZINC001171784120 974174293 /nfs/dbraw/zinc/17/42/93/974174293.db2.gz XAZUNZGMRPQENI-ZYHUDNBSSA-N 2 0 236.334 1.820 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[NH+]3CC[C@@H]3C1)C2 ZINC001172133619 974357830 /nfs/dbraw/zinc/35/78/30/974357830.db2.gz UAGREEMBGVHSPQ-BARDWOONSA-N 2 0 249.402 1.392 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@@H]1CCOC1)C2 ZINC001172107564 974364853 /nfs/dbraw/zinc/36/48/53/974364853.db2.gz ICEJZIUWLYKGDN-XDQVBPFNSA-N 2 0 238.375 1.628 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@H]1C[C@H](O)C1)C2 ZINC001172108005 974367430 /nfs/dbraw/zinc/36/74/30/974367430.db2.gz NKLGYSNDRFPFJO-VJUFMGLXSA-N 2 0 238.375 1.362 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1cc(CC[NH3+])cn1)C2 ZINC001172106035 974369775 /nfs/dbraw/zinc/36/97/75/974369775.db2.gz MOCOMONQAKBCFW-WDNDVIMCSA-N 2 0 248.374 1.572 20 0 BDADRP CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1C[C@](C)(O)C1)C2 ZINC001172108829 974371921 /nfs/dbraw/zinc/37/19/21/974371921.db2.gz ZVQGZVJQMBKEEN-ZAEXQNMVSA-N 2 0 238.375 1.505 20 0 BDADRP C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C)C(C)(C)O ZINC001172110325 974372148 /nfs/dbraw/zinc/37/21/48/974372148.db2.gz LGBKPQOJPODDRD-LPWJVIDDSA-N 2 0 240.391 1.751 20 0 BDADRP [NH3+]Cc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172224337 974458944 /nfs/dbraw/zinc/45/89/44/974458944.db2.gz OGHQTFJLIJBDBQ-GOOCMWNKSA-N 2 0 246.354 1.945 20 0 BDADRP C[NH+](C)CC(C)(C)C[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172231759 974473610 /nfs/dbraw/zinc/47/36/10/974473610.db2.gz XGBQFRNUBNABIX-YHWZYXNKSA-N 2 0 238.375 1.650 20 0 BDADRP CC1(C)C[C@H]([NH2+]CC23CC[NH+](CC2)CC3)CO1 ZINC001172276835 974491796 /nfs/dbraw/zinc/49/17/96/974491796.db2.gz OPBNOZBQNBEACN-LBPRGKRZSA-N 2 0 238.375 1.629 20 0 BDADRP COCCC[NH+]1CCC([NH2+]CC2CCC2)CC1 ZINC001172243510 974509548 /nfs/dbraw/zinc/50/95/48/974509548.db2.gz NCYZVRXQBVMHDA-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP CC1(C)C[C@H]([NH2+]Cc2ccccc2C[NH3+])CO1 ZINC001172278402 974513043 /nfs/dbraw/zinc/51/30/43/974513043.db2.gz UVRJKRQWOIKLQH-ZDUSSCGKSA-N 2 0 234.343 1.802 20 0 BDADRP CC(C)([NH3+])C(C)(C)[NH2+][C@@H]1COC(C)(C)C1 ZINC001172279815 974514344 /nfs/dbraw/zinc/51/43/44/974514344.db2.gz PLXOSLSWXXLILD-VIFPVBQESA-N 2 0 214.353 1.659 20 0 BDADRP CC(C)([NH3+])CCNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC001330951138 974538774 /nfs/dbraw/zinc/53/87/74/974538774.db2.gz GNXPBFQUNRRVIV-NSHDSACASA-N 2 0 241.379 1.010 20 0 BDADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC([NH3+])(CC)CC1 ZINC001330957528 974543712 /nfs/dbraw/zinc/54/37/12/974543712.db2.gz OHPGKRPFNWQZNI-QWRGUYRKSA-N 2 0 241.379 1.090 20 0 BDADRP Cc1cc(N2CCCC3(C[NH+](C)C3)C2)cc[nH+]1 ZINC001277065342 974649108 /nfs/dbraw/zinc/64/91/08/974649108.db2.gz VPNYHOZIDRUMAO-UHFFFAOYSA-N 2 0 231.343 1.922 20 0 BDADRP CCOCC[C@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC001172411524 974675168 /nfs/dbraw/zinc/67/51/68/974675168.db2.gz MXWAQOTZUPVOJZ-LBPRGKRZSA-N 2 0 230.396 1.979 20 0 BDADRP CCOCC[C@H](C)[N@H+](C)C[C@@H](C)C[NH3+] ZINC001172416988 974688613 /nfs/dbraw/zinc/68/86/13/974688613.db2.gz PWOIAANSGRBXCB-QWRGUYRKSA-N 2 0 202.342 1.328 20 0 BDADRP CCOCC[C@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC001172418594 974690779 /nfs/dbraw/zinc/69/07/79/974690779.db2.gz FJEUOHHXVKWKTB-SRVKXCTJSA-N 2 0 214.353 1.661 20 0 BDADRP CCOCC[C@H](C)[N@H+](C)CCC[NH+](C)C ZINC001172424084 974699227 /nfs/dbraw/zinc/69/92/27/974699227.db2.gz PDOBKBSRFXYBOA-LBPRGKRZSA-N 2 0 216.369 1.685 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+]CCc1ccc(F)cc1F ZINC001331417601 974713884 /nfs/dbraw/zinc/71/38/84/974713884.db2.gz CRILCDMPYYVYOF-JTQLQIEISA-N 2 0 242.313 1.952 20 0 BDADRP CC(C)OCC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C)C1 ZINC001172433627 974720238 /nfs/dbraw/zinc/72/02/38/974720238.db2.gz KDXSVALMNKOVIW-OLZOCXBDSA-N 2 0 228.380 1.731 20 0 BDADRP CC[NH2+][C@@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001331476818 974737925 /nfs/dbraw/zinc/73/79/25/974737925.db2.gz YFCPGYQZCRXJNT-RYUDHWBXSA-N 2 0 243.395 1.029 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@@H]1CCC[C@H]1CCOC ZINC001331835921 974832172 /nfs/dbraw/zinc/83/21/72/974832172.db2.gz TYDQIOGYLQPGPP-FRRDWIJNSA-N 2 0 228.380 1.779 20 0 BDADRP [NH3+]C[C@@H](O)C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172546863 974878390 /nfs/dbraw/zinc/87/83/90/974878390.db2.gz RAGGJARXKVZSDR-MGPQQGTHSA-N 2 0 234.343 1.232 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]C1CC(C)(C)OC(C)(C)C1 ZINC001172651497 974895012 /nfs/dbraw/zinc/89/50/12/974895012.db2.gz CSQWJNFVZMZHJY-JTQLQIEISA-N 2 0 228.380 1.907 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@@H]([NH3+])CC(F)F ZINC001331980979 974899419 /nfs/dbraw/zinc/89/94/19/974899419.db2.gz LZYOKIDXJXQTGI-LPEHRKFASA-N 2 0 235.322 1.076 20 0 BDADRP [NH3+]CC1(NC2CCC3(CCCC3)CC2)COC1 ZINC001172725376 974909096 /nfs/dbraw/zinc/90/90/96/974909096.db2.gz LOTLIJGJKGWPNT-UHFFFAOYSA-N 2 0 238.375 1.807 20 0 BDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC(C)(C)[NH3+] ZINC001332054462 974936249 /nfs/dbraw/zinc/93/62/49/974936249.db2.gz HUIYBAICSVRSJX-PHIMTYICSA-N 2 0 241.379 1.103 20 0 BDADRP COC(=O)[C@H]1CCC[C@H]([NH2+]C2CC([NH3+])C2)CC1 ZINC001172778094 974938225 /nfs/dbraw/zinc/93/82/25/974938225.db2.gz STWWPJPVHXQLQY-VOBJUBJWSA-N 2 0 240.347 1.188 20 0 BDADRP CO[C@H]1CCC[C@H]([N@H+](C)CCC[NH+](C)C)C1 ZINC001172929563 974978116 /nfs/dbraw/zinc/97/81/16/974978116.db2.gz FYCBPKSZHFBJAL-STQMWFEESA-N 2 0 228.380 1.828 20 0 BDADRP CC[NH+](CC)C1CCC([NH2+]C[C@@H](C)CO)CC1 ZINC001173102104 975021335 /nfs/dbraw/zinc/02/13/35/975021335.db2.gz SGWBSUDYXNXRKL-IYXRBSQSSA-N 2 0 242.407 1.857 20 0 BDADRP CC[NH+](CC)C1CCC([NH2+][C@@H](C)C(N)=O)CC1 ZINC001173103395 975022898 /nfs/dbraw/zinc/02/28/98/975022898.db2.gz AUJGEBRLSGIZCO-UNXYVOJBSA-N 2 0 241.379 1.103 20 0 BDADRP CC[NH+](CC)C1CCC(N2CC[C@@H]([NH3+])C2)CC1 ZINC001173101509 975023058 /nfs/dbraw/zinc/02/30/58/975023058.db2.gz ISYZPVZZSRLGIW-IYXRBSQSSA-N 2 0 239.407 1.672 20 0 BDADRP [NH3+]C1CC([NH2+][C@@H]2CCc3ncsc3C2)C1 ZINC001173140242 975045195 /nfs/dbraw/zinc/04/51/95/975045195.db2.gz JKOGWGWBUSISHP-QJAFJHJLSA-N 2 0 223.345 1.080 20 0 BDADRP O[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC001332403338 975094572 /nfs/dbraw/zinc/09/45/72/975094572.db2.gz VKSFLSYQJPQWSQ-XQQFMLRXSA-N 2 0 238.375 1.412 20 0 BDADRP F[C@@H]1CCC[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC001332420472 975105755 /nfs/dbraw/zinc/10/57/55/975105755.db2.gz LJJCXJRMBLIMOU-YDQFZURESA-N 2 0 238.350 1.853 20 0 BDADRP C[C@H]([NH3+])CN1C[C@@H](CC[NH3+])Cc2ccccc21 ZINC001332816410 975288851 /nfs/dbraw/zinc/28/88/51/975288851.db2.gz SVEWHIQDWIGZKZ-RYUDHWBXSA-N 2 0 233.359 1.361 20 0 BDADRP CC[N@@H+]1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001173352889 975301850 /nfs/dbraw/zinc/30/18/50/975301850.db2.gz YNCAJBMOCHARLB-FQUUOJAGSA-N 2 0 237.391 1.295 20 0 BDADRP CCCC[NH+]1CCN([C@H]2CC[N@H+](CC)C2)CC1 ZINC001173365458 975344363 /nfs/dbraw/zinc/34/43/63/975344363.db2.gz IIXOAIOJORQWIL-AWEZNQCLSA-N 2 0 239.407 1.498 20 0 BDADRP CCN(CC[NH+](CC)CC)[C@@H]1CC[N@H+](CC)C1 ZINC001173365509 975344701 /nfs/dbraw/zinc/34/47/01/975344701.db2.gz JWLUWWNRGGCQJU-CQSZACIVSA-N 2 0 241.423 1.744 20 0 BDADRP CC[N@@H+]1CC[C@@H](N2CCC[C@H]2C[NH+](C)C)C1 ZINC001173366020 975344875 /nfs/dbraw/zinc/34/48/75/975344875.db2.gz VFJBBGBGELAYQI-QWHCGFSZSA-N 2 0 225.380 1.107 20 0 BDADRP CC[N@@H+]1CC[C@@H](Nc2cccc(C[NH2+]C)c2)C1 ZINC001173371162 975357460 /nfs/dbraw/zinc/35/74/60/975357460.db2.gz KRPFWQLJKPLFIX-CQSZACIVSA-N 2 0 233.359 1.912 20 0 BDADRP CC[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2(C)C)C1 ZINC001173374844 975363676 /nfs/dbraw/zinc/36/36/76/975363676.db2.gz OWAJEZKVUMNRFY-ZDUSSCGKSA-N 2 0 239.407 1.497 20 0 BDADRP CC[C@@H](C)[C@@H](O)C[NH2+]CC1CC[NH+](C)CC1 ZINC001333670734 975967643 /nfs/dbraw/zinc/96/76/43/975967643.db2.gz LRZRIVZTXVUNOF-YPMHNXCESA-N 2 0 228.380 1.325 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CO[C@H](C)[C@H]2C)C1 ZINC001334356247 976466028 /nfs/dbraw/zinc/46/60/28/976466028.db2.gz VUJNVESIQYZUBZ-AAVRWANBSA-N 2 0 240.391 1.731 20 0 BDADRP C[NH+]1CCC(C[NH2+]CCOc2cccnc2)CC1 ZINC001334967115 976808048 /nfs/dbraw/zinc/80/80/48/976808048.db2.gz XPGNBDVCAILHPF-UHFFFAOYSA-N 2 0 249.358 1.392 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@H]2CCc3c[nH]nc3C2)CC1 ZINC001334982394 976813145 /nfs/dbraw/zinc/81/31/45/976813145.db2.gz ODCLHLSLFFHXFU-ZDUSSCGKSA-N 2 0 248.374 1.198 20 0 BDADRP CC1(C)C[C@@H]([NH2+]C[C@H]2CCOC2)C[C@@H]([NH3+])C1 ZINC001335251064 976898015 /nfs/dbraw/zinc/89/80/15/976898015.db2.gz HREIYWDNYLFQCZ-UTUOFQBUSA-N 2 0 226.364 1.519 20 0 BDADRP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC001335288894 976928999 /nfs/dbraw/zinc/92/89/99/976928999.db2.gz JJSNBIUMPPIXPM-JOYOIKCWSA-N 2 0 236.363 1.443 20 0 BDADRP C[C@@H](O)C[NH2+]CCC[NH+]1CCCCCC1 ZINC001335344420 976980410 /nfs/dbraw/zinc/98/04/10/976980410.db2.gz CTYXUHNIPYYJAG-GFCCVEGCSA-N 2 0 214.353 1.223 20 0 BDADRP CC(C)OCC[C@H](O)C[NH2+]CC[C@@H](C)[NH+](C)C ZINC001335381655 977017152 /nfs/dbraw/zinc/01/71/52/977017152.db2.gz OTTFVHJMTQBSFT-OLZOCXBDSA-N 2 0 246.395 1.092 20 0 BDADRP C[N@@H+]1CCCC[C@H](C[NH2+]C[C@@H](O)C2CC2)C1 ZINC001335428041 977053351 /nfs/dbraw/zinc/05/33/51/977053351.db2.gz ATQFONHLUXGEKY-DGCLKSJQSA-N 2 0 226.364 1.079 20 0 BDADRP C[NH+]1CCC(Oc2ccc3[nH]c(N)[nH+]c3c2)CC1 ZINC001230508001 977227319 /nfs/dbraw/zinc/22/73/19/977227319.db2.gz RCHIRHKAEBWYKU-UHFFFAOYSA-N 2 0 246.314 1.618 20 0 BDADRP Cc1cc(OCCc2cncn2C)ccn1 ZINC001336048681 977459057 /nfs/dbraw/zinc/45/90/57/977459057.db2.gz XJBJTBLUCJWCAC-UHFFFAOYSA-N 2 0 217.272 1.745 20 0 BDADRP CC[C@H](CNc1cc[nH+]c(CO)c1)[NH+]1CCCC1 ZINC001336460779 977699374 /nfs/dbraw/zinc/69/93/74/977699374.db2.gz BDEBSOWHPGBYSM-CQSZACIVSA-N 2 0 249.358 1.860 20 0 BDADRP COC(C)(C)C[NH+]1CCC2(CC[N@H+](C)C2)CC1 ZINC001277584678 977793955 /nfs/dbraw/zinc/79/39/55/977793955.db2.gz NPEMQZGAEARMDT-UHFFFAOYSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C[C@H]1O ZINC001232011009 977839292 /nfs/dbraw/zinc/83/92/92/977839292.db2.gz FZLLFBZGRDSTOG-QMTHXVAHSA-N 2 0 245.326 1.766 20 0 BDADRP C[C@@]1(CO)CC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232012288 977840213 /nfs/dbraw/zinc/84/02/13/977840213.db2.gz YBPJBGZJPNJXKA-CQSZACIVSA-N 2 0 245.326 1.767 20 0 BDADRP C[N@@H+]1CCc2ncc(Nc3[nH]cc[nH+]3)cc2C1 ZINC001176079518 977874118 /nfs/dbraw/zinc/87/41/18/977874118.db2.gz IVOYULNGCMYMSM-UHFFFAOYSA-N 2 0 229.287 1.536 20 0 BDADRP CC[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001232360187 978038683 /nfs/dbraw/zinc/03/86/83/978038683.db2.gz CGHIBBHPWOEWAT-UHFFFAOYSA-N 2 0 248.374 1.285 20 0 BDADRP Cc1ncc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)[nH]1 ZINC001232463753 978112151 /nfs/dbraw/zinc/11/21/51/978112151.db2.gz MLNYFHQZCIGHPP-UHFFFAOYSA-N 2 0 248.374 1.636 20 0 BDADRP C[NH+](C)CCO[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001206279047 978148858 /nfs/dbraw/zinc/14/88/58/978148858.db2.gz WJAGFPLRAADRNC-HAQNSBGRSA-N 2 0 214.353 1.437 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCO[C@@H](C)C2)C1 ZINC001177542869 978394361 /nfs/dbraw/zinc/39/43/61/978394361.db2.gz VLMMCFUVXKJFNA-BFHYXJOUSA-N 2 0 240.391 1.875 20 0 BDADRP c1cc(N2CCC[N@@H+]3CCC[C@@H]3C2)cc[nH+]1 ZINC001337655038 978443512 /nfs/dbraw/zinc/44/35/12/978443512.db2.gz NQZHJQXJDSUTHA-CYBMUJFWSA-N 2 0 217.316 1.756 20 0 BDADRP C[N@H+](CCCO)C1CCN(c2cc[nH+]cc2)CC1 ZINC001337694521 978462987 /nfs/dbraw/zinc/46/29/87/978462987.db2.gz KBEMHIQHDKMTEL-UHFFFAOYSA-N 2 0 249.358 1.365 20 0 BDADRP Cn1c[nH+]cc1N1CC2(C1)C[NH+](C1CCCC1)C2 ZINC001277769587 978474037 /nfs/dbraw/zinc/47/40/37/978474037.db2.gz KGNVENIEWUKGHM-UHFFFAOYSA-N 2 0 246.358 1.485 20 0 BDADRP Cn1cccc1CN1CCCC[C@@](F)(C[NH3+])C1 ZINC001206334928 978591936 /nfs/dbraw/zinc/59/19/36/978591936.db2.gz AXMWHNVNMVJAEE-CYBMUJFWSA-N 2 0 239.338 1.678 20 0 BDADRP [NH3+]C[C@@]1(F)CCCCN(C[C@H]2CCCC[NH2+]2)C1 ZINC001206337995 978601820 /nfs/dbraw/zinc/60/18/20/978601820.db2.gz XRMBHLQQZUQIJN-OLZOCXBDSA-N 2 0 243.370 1.281 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]CCCC[NH3+])CCO1 ZINC000069863233 978766164 /nfs/dbraw/zinc/76/61/64/978766164.db2.gz BUKZSAQFYVCFJN-GHMZBOCLSA-N 2 0 200.326 1.273 20 0 BDADRP CC(C)[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1C ZINC001339472289 978857559 /nfs/dbraw/zinc/85/75/59/978857559.db2.gz MGLWFMYCHXGYDH-CYBMUJFWSA-N 2 0 219.332 1.858 20 0 BDADRP CO[C@@H](C)C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC001180288078 978859704 /nfs/dbraw/zinc/85/97/04/978859704.db2.gz ASHVAQOIEHURQE-LBPRGKRZSA-N 2 0 244.379 1.064 20 0 BDADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C1CCOCC1 ZINC000151002380 978881915 /nfs/dbraw/zinc/88/19/15/978881915.db2.gz NUTMFSDZYMKIAR-ZDUSSCGKSA-N 2 0 244.379 1.112 20 0 BDADRP C[C@H]1CC[C@@H]([NH2+]CCN2CC[NH+](C)CC2)C1 ZINC000070761649 978892925 /nfs/dbraw/zinc/89/29/25/978892925.db2.gz NKYOLNWRYFUMCW-QWHCGFSZSA-N 2 0 225.380 1.012 20 0 BDADRP CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC000722160167 978903505 /nfs/dbraw/zinc/90/35/05/978903505.db2.gz TUDHYWXUULSLLH-NWDGAFQWSA-N 2 0 243.395 1.221 20 0 BDADRP C(C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1)C1CCCC1 ZINC001235052499 978965146 /nfs/dbraw/zinc/96/51/46/978965146.db2.gz GLKAOAWGPMZCDR-AWEZNQCLSA-N 2 0 237.391 1.204 20 0 BDADRP Nc1cc[nH+]cc1CN1CCCC[C@@]12CC[NH2+]C2 ZINC001235119204 978979871 /nfs/dbraw/zinc/97/98/71/978979871.db2.gz YMBGLRZMYKSZDF-AWEZNQCLSA-N 2 0 246.358 1.212 20 0 BDADRP C[NH2+]CCC[NH+]1CCC2(CC[NH2+]CC2)CC1 ZINC001235136278 978980914 /nfs/dbraw/zinc/98/09/14/978980914.db2.gz VVKSJQYLMJIBLV-UHFFFAOYSA-N 2 0 225.380 1.062 20 0 BDADRP C[NH2+]CCN1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235150943 978981063 /nfs/dbraw/zinc/98/10/63/978981063.db2.gz BKUIWIBMFHZVDJ-ZDUSSCGKSA-N 2 0 225.380 1.060 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235169684 978987573 /nfs/dbraw/zinc/98/75/73/978987573.db2.gz CAUAVWSVEDQCSE-ZDUSSCGKSA-N 3 0 225.380 1.333 20 0 BDADRP [NH3+][C@@]12C[C@@H]1CCN(CCC[NH+]1CCCCC1)C2 ZINC001235166111 978988593 /nfs/dbraw/zinc/98/85/93/978988593.db2.gz OTKCBUDXNSGJOS-UONOGXRCSA-N 2 0 237.391 1.286 20 0 BDADRP OCCCCC[N@@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235172904 978990899 /nfs/dbraw/zinc/99/08/99/978990899.db2.gz MPZCEUATSOOSKM-AWEZNQCLSA-N 2 0 240.391 1.757 20 0 BDADRP c1ncc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)[nH]1 ZINC001235229456 979000271 /nfs/dbraw/zinc/00/02/71/979000271.db2.gz MNRMFERZRLTLNB-AWEZNQCLSA-N 2 0 248.374 1.764 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1 ZINC001340280217 979003560 /nfs/dbraw/zinc/00/35/60/979003560.db2.gz DSXAWPBWLIUVKM-YNEHKIRRSA-N 2 0 245.326 1.224 20 0 BDADRP C[C@@H](CCC[NH3+])NC(=O)c1ccc(CC[NH3+])cc1 ZINC001340300440 979007259 /nfs/dbraw/zinc/00/72/59/979007259.db2.gz RMICKGWWMZPXOZ-NSHDSACASA-N 2 0 249.358 1.045 20 0 BDADRP OCCCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235425518 979043304 /nfs/dbraw/zinc/04/33/04/979043304.db2.gz LNCYBYFGUCQWMS-UONOGXRCSA-N 2 0 240.391 1.471 20 0 BDADRP CC(C)[C@@H]1C[NH2+]CCN1CC[C@H]1CCCC[NH2+]1 ZINC001235453064 979050109 /nfs/dbraw/zinc/05/01/09/979050109.db2.gz QFGFTHSMPSAOEX-KGLIPLIRSA-N 2 0 239.407 1.448 20 0 BDADRP CN1CC[N@H+](CCCC[NH3+])C[C@H]1c1ccccc1 ZINC001235675365 979113256 /nfs/dbraw/zinc/11/32/56/979113256.db2.gz WTGLGOKGAZTSSA-HNNXBMFYSA-N 2 0 247.386 1.714 20 0 BDADRP CN(CCC[NH2+]C1CCCCC1)[C@H]1CC[NH2+]C1 ZINC001235736282 979131252 /nfs/dbraw/zinc/13/12/52/979131252.db2.gz TUBKWCUYSWFQIS-AWEZNQCLSA-N 2 0 239.407 1.593 20 0 BDADRP C[C@@H]([NH3+])CN1CC[NH+](CC2CCCC2)CC1 ZINC001235713557 979131887 /nfs/dbraw/zinc/13/18/87/979131887.db2.gz ZMDNBTYZFIYEJI-GFCCVEGCSA-N 2 0 225.380 1.141 20 0 BDADRP CC[C@H]1CN(C[C@H]([NH3+])Cc2ccccc2)CC[NH2+]1 ZINC001235724467 979134323 /nfs/dbraw/zinc/13/43/23/979134323.db2.gz MQHLWYFQADTZEV-CABCVRRESA-N 2 0 247.386 1.240 20 0 BDADRP [NH3+]C[C@@H]1CCCN1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001235724150 979134377 /nfs/dbraw/zinc/13/43/77/979134377.db2.gz DLUSQOKETPIOKN-HNNXBMFYSA-N 2 0 245.370 1.255 20 0 BDADRP CC[C@@H]1C[NH2+]CCN1C[C@@H]([NH3+])c1ccccc1 ZINC001235768810 979146156 /nfs/dbraw/zinc/14/61/56/979146156.db2.gz MKLYBSRWPPDAJS-ZIAGYGMSSA-N 2 0 233.359 1.370 20 0 BDADRP [NH3+]CCCCC[N@@H+]1CCN[C@@H](c2ccccc2)C1 ZINC001235858871 979172409 /nfs/dbraw/zinc/17/24/09/979172409.db2.gz JQRSOSVCRBYGLG-OAHLLOKOSA-N 2 0 247.386 1.762 20 0 BDADRP c1ccc([C@@H]2CN(C[C@H]3CCC[NH2+]3)CC[NH2+]2)cc1 ZINC001235858987 979174145 /nfs/dbraw/zinc/17/41/45/979174145.db2.gz KSMKFWWWOFINAG-CABCVRRESA-N 2 0 245.370 1.385 20 0 BDADRP c1ccc([C@H]2CN(C[C@H]3CCC[NH2+]3)CC[NH2+]2)cc1 ZINC001235858990 979174532 /nfs/dbraw/zinc/17/45/32/979174532.db2.gz KSMKFWWWOFINAG-HUUCEWRRSA-N 2 0 245.370 1.385 20 0 BDADRP [NH3+]CCN(CC[NH3+])Cc1ccccc1C1CC1 ZINC001235877588 979175343 /nfs/dbraw/zinc/17/53/43/979175343.db2.gz OAWICUCAWNEJFF-UHFFFAOYSA-N 2 0 233.359 1.283 20 0 BDADRP C[C@H](CCN(CC[NH3+])CC[NH3+])CC(C)(C)C ZINC001235877287 979177877 /nfs/dbraw/zinc/17/78/77/979177877.db2.gz OCBDNHVLIFWVCQ-GFCCVEGCSA-N 2 0 229.412 1.668 20 0 BDADRP Cc1cc(C)c(CN(CC[NH3+])CC[NH3+])cc1C ZINC001235877079 979178162 /nfs/dbraw/zinc/17/81/62/979178162.db2.gz GTWQWHRJPDJEQC-UHFFFAOYSA-N 2 0 235.375 1.331 20 0 BDADRP CC(C)=CCC[C@H](C)CN(CC[NH3+])CC[NH3+] ZINC001235875956 979178233 /nfs/dbraw/zinc/17/82/33/979178233.db2.gz UQAFOOGGGCVCNT-ZDUSSCGKSA-N 2 0 227.396 1.588 20 0 BDADRP COC(=O)[C@@]1(C)CCC[N@H+](CCCC[NH3+])C1 ZINC001235887095 979181428 /nfs/dbraw/zinc/18/14/28/979181428.db2.gz GXNCCVDSWWFCLD-LBPRGKRZSA-N 2 0 228.336 1.000 20 0 BDADRP C[C@@H]1CC[C@@H]([NH3+])CN1C[C@@H]([NH3+])c1ccccc1 ZINC001235892395 979184817 /nfs/dbraw/zinc/18/48/17/979184817.db2.gz PIWDYLNVBNFRTN-MRVWCRGKSA-N 2 0 233.359 1.498 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]C2 ZINC001235925863 979207158 /nfs/dbraw/zinc/20/71/58/979207158.db2.gz QCHWHZVAUHOUFG-HNNXBMFYSA-N 3 0 245.370 1.603 20 0 BDADRP CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]C[C@H]1CCCN1C ZINC001341058945 979214303 /nfs/dbraw/zinc/21/43/03/979214303.db2.gz DSZDWFQTXMACOY-QJPTWQEYSA-N 2 0 242.363 1.258 20 0 BDADRP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC001235960022 979225184 /nfs/dbraw/zinc/22/51/84/979225184.db2.gz RYFWQCPYNKYDLG-BTTYYORXSA-N 3 0 237.391 1.045 20 0 BDADRP [NH3+][C@]12CC[C@@H]1C[N@H+](CC1Cc3ccccc3C1)C2 ZINC001235976993 979241727 /nfs/dbraw/zinc/24/17/27/979241727.db2.gz DTBYRWSXZQNMCH-CVEARBPZSA-N 2 0 242.366 1.825 20 0 BDADRP [NH3+][C@@]12CC[C@@H]1C[N@H+](CCC1CCCC1)C2 ZINC001235980937 979243559 /nfs/dbraw/zinc/24/35/59/979243559.db2.gz SKCRGWXIKKIMHC-CHWSQXEVSA-N 2 0 208.349 1.990 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccccc1C[NH3+] ZINC001341125702 979245128 /nfs/dbraw/zinc/24/51/28/979245128.db2.gz KYBWUNYSWOSSCJ-GWCFXTLKSA-N 2 0 247.342 1.016 20 0 BDADRP [NH3+][C@H](CN1C[C@@H]2CC[C@@]2([NH3+])C1)c1ccccc1 ZINC001235980824 979247899 /nfs/dbraw/zinc/24/78/99/979247899.db2.gz RRMLBLOPGIXLSZ-BFHYXJOUSA-N 2 0 231.343 1.110 20 0 BDADRP C[NH+]1CCC(CCN2C[C@H]3CC[C@]3([NH3+])C2)CC1 ZINC001235979948 979249200 /nfs/dbraw/zinc/24/92/00/979249200.db2.gz OTYZCYZXWTVJLR-KGLIPLIRSA-N 2 0 237.391 1.141 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001235979614 979251929 /nfs/dbraw/zinc/25/19/29/979251929.db2.gz NSAATXPBAFLOMY-UONOGXRCSA-N 2 0 237.391 1.141 20 0 BDADRP CCOC(=O)[C@H]1CCCC[N@H+](CCCC[NH3+])C1 ZINC001236038505 979332822 /nfs/dbraw/zinc/33/28/22/979332822.db2.gz QGDUMTFHYAXUPX-LBPRGKRZSA-N 2 0 242.363 1.391 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CN(CC[C@@H]2CCCC[NH2+]2)C1 ZINC001236044913 979338096 /nfs/dbraw/zinc/33/80/96/979338096.db2.gz PVDMRJFVLKKKAK-AGIUHOORSA-N 2 0 225.380 1.188 20 0 BDADRP C[N@H+](CCCC[NH3+])CCC(=O)c1cccs1 ZINC001236103013 979387854 /nfs/dbraw/zinc/38/78/54/979387854.db2.gz TWENYFLDTPFPRQ-UHFFFAOYSA-N 2 0 240.372 1.992 20 0 BDADRP C[C@@H]([NH3+])CN1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001236109578 979393470 /nfs/dbraw/zinc/39/34/70/979393470.db2.gz UKJCLGRHAGWFTG-UTUOFQBUSA-N 2 0 216.328 1.920 20 0 BDADRP C[NH2+]CCCN1CC[NH2+]C[C@H]1c1cccs1 ZINC001236115546 979394741 /nfs/dbraw/zinc/39/47/41/979394741.db2.gz RTVVYJUZPVVONA-NSHDSACASA-N 2 0 239.388 1.304 20 0 BDADRP CCC[C@@H]1CNCC[N@@H+]1CCC12CC([NH3+])(C1)C2 ZINC001236131592 979402859 /nfs/dbraw/zinc/40/28/59/979402859.db2.gz CPRFJMXJJJTYCZ-IYXRBSQSSA-N 2 0 237.391 1.332 20 0 BDADRP CCC[C@@H]1C[NH2+]CCN1CC[C@H]1CCCC[NH2+]1 ZINC001236132961 979404085 /nfs/dbraw/zinc/40/40/85/979404085.db2.gz SUGQDAFMFNIAQU-ZIAGYGMSSA-N 2 0 239.407 1.593 20 0 BDADRP CCCC[C@H]1CN(C[C@@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001236136554 979407535 /nfs/dbraw/zinc/40/75/35/979407535.db2.gz XQLYGWVVLFZTHA-KBPBESRZSA-N 2 0 239.407 1.593 20 0 BDADRP CN(CC[C@H]1CCC[NH2+]C1)[C@@]1(C)CCC[NH2+]C1 ZINC001236200737 979449227 /nfs/dbraw/zinc/44/92/27/979449227.db2.gz JHQFVJPMEXZPDO-KGLIPLIRSA-N 2 0 239.407 1.450 20 0 BDADRP CN(C[C@@H]1CCCC[NH2+]1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236212478 979451995 /nfs/dbraw/zinc/45/19/95/979451995.db2.gz LXUKCERODHMOHN-YNEHKIRRSA-N 2 0 225.380 1.330 20 0 BDADRP [NH3+]C[C@H]1CCCN1Cc1c[nH]c2ccc(O)cc12 ZINC001236251332 979471025 /nfs/dbraw/zinc/47/10/25/979471025.db2.gz RXTNKERXDLMVQD-LLVKDONJSA-N 2 0 245.326 1.797 20 0 BDADRP [NH3+]CCCCCC[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314525 979523125 /nfs/dbraw/zinc/52/31/25/979523125.db2.gz QESFXKDVKYQZRO-OKILXGFUSA-N 3 0 239.407 1.437 20 0 BDADRP Cc1cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)no1 ZINC001236314951 979525611 /nfs/dbraw/zinc/52/56/11/979525611.db2.gz IYGCFXNEYZKEBD-TXEJJXNPSA-N 2 0 235.331 1.414 20 0 BDADRP C[C@@H]1C[C@H]1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314179 979526329 /nfs/dbraw/zinc/52/63/29/979526329.db2.gz JOEQXDDKJFUGTH-NDBYEHHHSA-N 2 0 208.349 1.574 20 0 BDADRP c1nscc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236322140 979536299 /nfs/dbraw/zinc/53/62/99/979536299.db2.gz QWTUMNRXWVJGGU-TXEJJXNPSA-N 2 0 237.372 1.575 20 0 BDADRP CCCN(CC[C@H]1CCCC[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC001236322264 979538608 /nfs/dbraw/zinc/53/86/08/979538608.db2.gz LZPVBIVMPYUMKF-ZIAGYGMSSA-N 2 0 239.407 1.593 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC001341765793 979550580 /nfs/dbraw/zinc/55/05/80/979550580.db2.gz MUZDYMASYCUIKT-NWDGAFQWSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCCN1CC[C@@H]1CCCC[NH2+]1 ZINC001236415643 979588012 /nfs/dbraw/zinc/58/80/12/979588012.db2.gz PFSXMXQDORBGNM-FRRDWIJNSA-N 2 0 225.380 1.330 20 0 BDADRP CCN(C(C)=O)C1CC[NH+](CCCC[NH3+])CC1 ZINC001236465225 979602245 /nfs/dbraw/zinc/60/22/45/979602245.db2.gz NEPCDGMIBHPLEW-UHFFFAOYSA-N 2 0 241.379 1.058 20 0 BDADRP NCC[N@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236565669 979638759 /nfs/dbraw/zinc/63/87/59/979638759.db2.gz LZLCICQVAKIPII-MQMHXKEQSA-N 2 0 239.407 1.850 20 0 BDADRP C[C@]1(C[NH3+])CCCCN(C[C@H]2CCCC[NH2+]2)C1 ZINC001206541800 979652548 /nfs/dbraw/zinc/65/25/48/979652548.db2.gz KPVDKDIUBKSSHL-ZIAGYGMSSA-N 2 0 239.407 1.579 20 0 BDADRP C[C@@H]1CN(Cc2ccc3c(c2)C[NH2+]C3)C[C@@H](C)[NH2+]1 ZINC001236580822 979657295 /nfs/dbraw/zinc/65/72/95/979657295.db2.gz TZZFEJXEESOXFW-VXGBXAGGSA-N 2 0 245.370 1.472 20 0 BDADRP CC[N@H+](C1CCOCC1)[C@H]1CC[NH2+][C@H](C)C1 ZINC000716444051 979661033 /nfs/dbraw/zinc/66/10/33/979661033.db2.gz TULYSDCXXGUVLI-YPMHNXCESA-N 2 0 226.364 1.628 20 0 BDADRP CC[C@H]([NH3+])CN([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236646814 979690133 /nfs/dbraw/zinc/69/01/33/979690133.db2.gz IQEBICIWUMLLTF-GXTWGEPZSA-N 2 0 239.407 1.720 20 0 BDADRP CCC(CC)[N@H+](CCNC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236781909 979721108 /nfs/dbraw/zinc/72/11/08/979721108.db2.gz AZQZCXMQWWLQHH-MQMHXKEQSA-N 2 0 241.423 1.966 20 0 BDADRP CCC(CC)[N@H+](CCO)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236782923 979733831 /nfs/dbraw/zinc/73/38/31/979733831.db2.gz MQQHYPJYXQQLNE-AULYBMBSSA-N 2 0 228.380 1.739 20 0 BDADRP C[C@]1([NH3+])CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC001205256179 979740528 /nfs/dbraw/zinc/74/05/28/979740528.db2.gz NSOKSFMDTPGQBY-RYUDHWBXSA-N 2 0 212.337 1.369 20 0 BDADRP [NH3+]Cc1ccccc1NC(=O)[C@@H]([NH3+])CC1CC1 ZINC001342340941 979777026 /nfs/dbraw/zinc/77/70/26/979777026.db2.gz USOGGGMHJMOBEB-NSHDSACASA-N 2 0 233.315 1.211 20 0 BDADRP CC(C)C[C@](C)(C[NH3+])C(=O)NCCC(C)(C)[NH3+] ZINC001342366540 979784555 /nfs/dbraw/zinc/78/45/55/979784555.db2.gz ZHQAVUYROOTEOH-CYBMUJFWSA-N 2 0 243.395 1.241 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CN1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001237203238 979846306 /nfs/dbraw/zinc/84/63/06/979846306.db2.gz BTXFRUWRCNVMRQ-ABAIWWIYSA-N 2 0 245.370 1.254 20 0 BDADRP C1=C2NCC[N@@H+](CCC3CC[NH2+]CC3)[C@@H]2CCC1 ZINC001237219107 979848070 /nfs/dbraw/zinc/84/80/70/979848070.db2.gz KBVGFYKDARCKMW-OAHLLOKOSA-N 2 0 249.402 1.718 20 0 BDADRP C1=C2[NH2+]CCN(C[C@@H]3CCCC[NH2+]3)[C@@H]2CCC1 ZINC001237220885 979852264 /nfs/dbraw/zinc/85/22/64/979852264.db2.gz TUIYVRSBKSKHHW-GXTWGEPZSA-N 2 0 235.375 1.470 20 0 BDADRP [NH3+]C12CC(CCN3CC[C@@H]4[NH2+]CCC[C@H]4C3)(C1)C2 ZINC001237375210 979878111 /nfs/dbraw/zinc/87/81/11/979878111.db2.gz LLPQJHRUFKJMAP-HESLUPGFSA-N 2 0 249.402 1.332 20 0 BDADRP CC[N@@H+]1CCC[C@@H](CNc2nc(N)cc(C)[nH+]2)C1 ZINC001342862532 979921059 /nfs/dbraw/zinc/92/10/59/979921059.db2.gz DHXVDZVKGSYDGS-NSHDSACASA-N 2 0 249.362 1.511 20 0 BDADRP CCC[C@H](C[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1)OC ZINC001184066058 979930521 /nfs/dbraw/zinc/93/05/21/979930521.db2.gz KOJHDTFSLNOKFP-MCIONIFRSA-N 2 0 240.391 1.685 20 0 BDADRP C[C@H]([NH2+]C1CC1)C(=O)Nc1ccccc1C[NH3+] ZINC001343110792 980010575 /nfs/dbraw/zinc/01/05/75/980010575.db2.gz VWUVDOBPBFHVEF-VIFPVBQESA-N 2 0 233.315 1.224 20 0 BDADRP C[NH+](C)CCN1CCC12C[NH+](CCCCF)C2 ZINC001278205748 980227190 /nfs/dbraw/zinc/22/71/90/980227190.db2.gz SEXZYVLBWGUGKA-UHFFFAOYSA-N 2 0 243.370 1.058 20 0 BDADRP CCN(C(=O)CCC(C)(C)[NH3+])[C@@H]1CCC[NH2+]C1 ZINC001343854384 980258363 /nfs/dbraw/zinc/25/83/63/980258363.db2.gz ZGYZVAIBABFCAX-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP c1cc(C2=CCC[NH2+]CC2)nc2c1C[NH2+]CC2 ZINC001238936680 980374709 /nfs/dbraw/zinc/37/47/09/980374709.db2.gz SAOYOVOFKFLRSG-UHFFFAOYSA-N 2 0 229.327 1.494 20 0 BDADRP C([C@H]1CC2CCC1CC2)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000691664339 980418254 /nfs/dbraw/zinc/41/82/54/980418254.db2.gz WEVHNQCTLBRKID-IFOPZJACSA-N 2 0 234.387 1.964 20 0 BDADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001344590161 980441239 /nfs/dbraw/zinc/44/12/39/980441239.db2.gz JXXUZCRZTDENTJ-KOLCDFICSA-N 2 0 245.326 1.226 20 0 BDADRP [NH3+]CCCC[NH2+]C[C@H]1CCOc2ccccc21 ZINC001345104658 980551324 /nfs/dbraw/zinc/55/13/24/980551324.db2.gz MUDDAHYHSBOXBN-GFCCVEGCSA-N 2 0 234.343 1.881 20 0 BDADRP Cc1cncc(C[NH+]2CCC(C[NH+](C)C)CC2)n1 ZINC001203170004 980715236 /nfs/dbraw/zinc/71/52/36/980715236.db2.gz FROHHZMRJWPDSF-UHFFFAOYSA-N 2 0 248.374 1.559 20 0 BDADRP C[C@@H]1C[C@H]1C[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC000722684741 980880742 /nfs/dbraw/zinc/88/07/42/980880742.db2.gz WRYUSFHRCAEFFE-UTLUCORTSA-N 2 0 218.291 1.558 20 0 BDADRP [NH3+]Cc1cncc(-c2ccc(C[NH3+])nc2)c1 ZINC001239799605 980938720 /nfs/dbraw/zinc/93/87/20/980938720.db2.gz YMCAJOVEEHSMAJ-UHFFFAOYSA-N 2 0 214.272 1.061 20 0 BDADRP [NH3+]CCc1ccccc1-c1cncc(C[NH3+])c1 ZINC001239803823 980940854 /nfs/dbraw/zinc/94/08/54/980940854.db2.gz HXPQIQYFNYOAJX-UHFFFAOYSA-N 2 0 227.311 1.709 20 0 BDADRP [NH3+]C[C@]1(F)CCC[N@H+](C[C@H]2CCC=CO2)CC1 ZINC001205546010 980944808 /nfs/dbraw/zinc/94/48/08/980944808.db2.gz OQIWTUNJQJHERJ-OLZOCXBDSA-N 2 0 242.338 1.832 20 0 BDADRP COC(=O)[C@H](C)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205602304 981162904 /nfs/dbraw/zinc/16/29/04/981162904.db2.gz IHJMNTQNUSTDCF-IJLUTSLNSA-N 2 0 242.363 1.102 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2nccs2)CC[C@@H]1C[NH3+] ZINC001205602216 981166254 /nfs/dbraw/zinc/16/62/54/981166254.db2.gz HSWPEODUTOBCAE-GHMZBOCLSA-N 2 0 239.388 1.950 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2cccn2C)CC[C@H]1C[NH3+] ZINC001205602769 981172300 /nfs/dbraw/zinc/17/23/00/981172300.db2.gz MGDFALCOMFPJEW-OLZOCXBDSA-N 2 0 235.375 1.832 20 0 BDADRP C[C@H]1CC[N@H+](Cc2cccn2C)CC[C@@H]1C[NH3+] ZINC001205602770 981172497 /nfs/dbraw/zinc/17/24/97/981172497.db2.gz MGDFALCOMFPJEW-QWHCGFSZSA-N 2 0 235.375 1.832 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2cccnc2)CC[C@H]1C[NH3+] ZINC001205604824 981181458 /nfs/dbraw/zinc/18/14/58/981181458.db2.gz XVNUKWPSMGXEBD-OCCSQVGLSA-N 2 0 233.359 1.888 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@H](Nc2nccnc2C[NH3+])C1 ZINC001348019625 981248460 /nfs/dbraw/zinc/24/84/60/981248460.db2.gz GJAYECXWZVYLGE-WDEREUQCSA-N 2 0 249.362 1.220 20 0 BDADRP C[C@H]1CC[N@H+](Cc2ccnc(N)c2)CC[C@H]1C[NH3+] ZINC001205626909 981279695 /nfs/dbraw/zinc/27/96/95/981279695.db2.gz KPEDGWSZHOOQLE-AAEUAGOBSA-N 2 0 248.374 1.471 20 0 BDADRP Cc1ncc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)o1 ZINC001205637839 981381698 /nfs/dbraw/zinc/38/16/98/981381698.db2.gz JLMKVTXZWQFZSS-CMPLNLGQSA-N 2 0 237.347 1.790 20 0 BDADRP C[C@H]([NH3+])c1ccc(C2=CC[NH2+]CC2)cn1 ZINC001240469805 981407742 /nfs/dbraw/zinc/40/77/42/981407742.db2.gz DVGHEJPRIRAFBH-VIFPVBQESA-N 2 0 203.289 1.478 20 0 BDADRP OC[C@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC001580884405 981698631 /nfs/dbraw/zinc/69/86/31/981698631.db2.gz ADLTZSDULAMGBP-MEBFFEOJSA-N 2 0 238.375 1.125 20 0 BDADRP O[C@@H]1CC[C@H]1[NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001580884966 981706273 /nfs/dbraw/zinc/70/62/73/981706273.db2.gz XJNNFTXZEBKEKE-ZLOUSURVSA-N 2 0 224.348 1.020 20 0 BDADRP c1cc2n(n1)CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC001580891980 981721829 /nfs/dbraw/zinc/72/18/29/981721829.db2.gz LEXMMECCQYDQKT-LBPRGKRZSA-N 2 0 234.347 1.088 20 0 BDADRP c1cnc(C2CC[NH+](CCC3C[NH2+]C3)CC2)nc1 ZINC001580896469 981728275 /nfs/dbraw/zinc/72/82/75/981728275.db2.gz DIARDRFINPZGJD-UHFFFAOYSA-N 2 0 246.358 1.266 20 0 BDADRP C[C@H]1CC[C@H](C[NH3+])N(C[C@@H]([NH3+])c2ccccc2)C1 ZINC001205805048 982568374 /nfs/dbraw/zinc/56/83/74/982568374.db2.gz POFTWBNVGXWMKX-NWANDNLSSA-N 2 0 247.386 1.746 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH3+])N(Cc2c[nH+]ccc2N)C1 ZINC001205815572 982618242 /nfs/dbraw/zinc/61/82/42/982618242.db2.gz HNLAOBSGJYCCGX-PWSUYJOCSA-N 2 0 234.347 1.053 20 0 BDADRP C[N@@H+]1CCC=C(c2ccc3c(n2)OCC[NH2+]C3)C1 ZINC001241567126 982814200 /nfs/dbraw/zinc/81/42/00/982814200.db2.gz MCOAWKFOERECIZ-UHFFFAOYSA-N 2 0 245.326 1.283 20 0 BDADRP C[C@H](CNc1cc(N)[nH+]cc1Cl)C[NH+](C)C ZINC001355283664 983461381 /nfs/dbraw/zinc/46/13/81/983461381.db2.gz LBIWPMVJTPWAGV-MRVPVSSYSA-N 2 0 242.754 1.927 20 0 BDADRP CC1(C)C[NH2+][C@@H]1C(=O)Nc1ccccc1C[NH3+] ZINC001355719611 983535497 /nfs/dbraw/zinc/53/54/97/983535497.db2.gz WEZCTHMHHDHTQX-LLVKDONJSA-N 2 0 233.315 1.082 20 0 BDADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]CC1 ZINC001357454056 983717839 /nfs/dbraw/zinc/71/78/39/983717839.db2.gz SFWUNHOXEQGUGY-SDDRHHMPSA-N 2 0 241.379 1.008 20 0 BDADRP [NH3+]Cc1ccccc1C(=O)N[C@H]1CCC[NH2+]CC1 ZINC001357454702 983718798 /nfs/dbraw/zinc/71/87/98/983718798.db2.gz XDTMHYVLZRKWBC-LBPRGKRZSA-N 2 0 247.342 1.017 20 0 BDADRP CC[C@H](C)C[C@H]([NH3+])C(=O)NC(C)(C)CCC[NH3+] ZINC001357475438 983728081 /nfs/dbraw/zinc/72/80/81/983728081.db2.gz XASRGYKTGZFBEM-QWRGUYRKSA-N 2 0 243.395 1.384 20 0 BDADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC001357484403 983732643 /nfs/dbraw/zinc/73/26/43/983732643.db2.gz FCAUSNMLUHIUDJ-GARJFASQSA-N 2 0 241.379 1.007 20 0 BDADRP CC(C)([NH3+])C(=O)N1C[C@@H](CC[NH3+])c2ccccc21 ZINC001357990456 983811660 /nfs/dbraw/zinc/81/16/60/983811660.db2.gz JVCOUNVRACLQQE-SNVBAGLBSA-N 2 0 247.342 1.203 20 0 BDADRP C[C@@H](c1ccccc1)[C@H](O)C[NH2+]C1CC[NH2+]CC1 ZINC001573590180 984037748 /nfs/dbraw/zinc/03/77/48/984037748.db2.gz OLECYLRHGFALLJ-SWLSCSKDSA-N 2 0 248.370 1.493 20 0 BDADRP C[C@H](O)[C@H](C)[N@@H+]1C[C@@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001576261778 984157658 /nfs/dbraw/zinc/15/76/58/984157658.db2.gz AXDLPMVBRMZZNJ-ZDEQEGDKSA-N 2 0 226.364 1.207 20 0 BDADRP COCCC[N@@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205981037 984174757 /nfs/dbraw/zinc/17/47/57/984174757.db2.gz BEYBJJXUCGXWQK-NWDGAFQWSA-N 2 0 214.353 1.330 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CC[NH2+]C2)C[C@H]1C ZINC001576670167 984178476 /nfs/dbraw/zinc/17/84/76/984178476.db2.gz DNTGPOBMRMUGER-FVCCEPFGSA-N 2 0 226.364 1.125 20 0 BDADRP COC(=O)[C@H](C)C[N@@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205981806 984185261 /nfs/dbraw/zinc/18/52/61/984185261.db2.gz HHAMASGAXOSYLJ-IJLUTSLNSA-N 2 0 242.363 1.102 20 0 BDADRP CC[C@@](C)(C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(C)C1)OC ZINC001576950058 984185210 /nfs/dbraw/zinc/18/52/10/984185210.db2.gz ZGALHCMGCMHPDF-AGIUHOORSA-N 2 0 226.364 1.343 20 0 BDADRP CCC[C@H](C[NH2+][C@](C)(C[NH3+])C(C)C)OC ZINC001577357755 984192293 /nfs/dbraw/zinc/19/22/93/984192293.db2.gz IXBPCSNNDBEKDG-VXGBXAGGSA-N 2 0 216.369 1.765 20 0 BDADRP CCCCC[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC001253551554 984203540 /nfs/dbraw/zinc/20/35/40/984203540.db2.gz PJFPQUHRJNSLEX-ZIAGYGMSSA-N 2 0 242.407 1.859 20 0 BDADRP COCC[C@@H]([NH3+])C[NH2+]C(C)(C)COC(C)C ZINC001579001869 984251074 /nfs/dbraw/zinc/25/10/74/984251074.db2.gz MRGVUQFWHXQIFH-LLVKDONJSA-N 2 0 232.368 1.143 20 0 BDADRP C[NH2+]Cc1ccc(-c2cc(C[NH3+])ncn2)cc1 ZINC001242990986 984354208 /nfs/dbraw/zinc/35/42/08/984354208.db2.gz VRDLNCNDSFIHIZ-UHFFFAOYSA-N 2 0 228.299 1.322 20 0 BDADRP [NH3+][C@H]1CC12CC([NH2+]Cc1ccc(CCO)cc1)C2 ZINC001580165276 984409927 /nfs/dbraw/zinc/40/99/27/984409927.db2.gz KRDBSWVFRUDTQU-SLTAFYQDSA-N 2 0 246.354 1.191 20 0 BDADRP COCCC[NH+]1CCC2(CC[N@H+](C)C2)CC1 ZINC001274936311 984411406 /nfs/dbraw/zinc/41/14/06/984411406.db2.gz FYISSUUGOFHMBU-UHFFFAOYSA-N 2 0 226.364 1.441 20 0 BDADRP C[NH+](C)Cc1cccc(C2=CC[NH2+]C2)n1 ZINC001243106917 984549188 /nfs/dbraw/zinc/54/91/88/984549188.db2.gz CLUIQOZKXUSITK-UHFFFAOYSA-N 2 0 203.289 1.130 20 0 BDADRP CC[NH+](CC)Cc1cncc(C2=CC[NH2+]C2)c1 ZINC001243111951 984581970 /nfs/dbraw/zinc/58/19/70/984581970.db2.gz YHFTVWVUAMZQKI-UHFFFAOYSA-N 2 0 231.343 1.910 20 0 BDADRP C[NH+](C)Cc1ccc(C2=CC[NH2+]C2)cc1F ZINC001243116096 984586846 /nfs/dbraw/zinc/58/68/46/984586846.db2.gz ROTUSPFZQYXGIL-UHFFFAOYSA-N 2 0 220.291 1.874 20 0 BDADRP CC[N@@H+]1CCC[C@H](N[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC001577771335 984743290 /nfs/dbraw/zinc/74/32/90/984743290.db2.gz VBBATKGBFJJYJQ-WDEREUQCSA-N 2 0 247.333 1.058 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC001577768270 984753614 /nfs/dbraw/zinc/75/36/14/984753614.db2.gz WVIJTNDAGWIFLT-NWDGAFQWSA-N 3 0 225.380 1.188 20 0 BDADRP CCN1CCC[C@H]([NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC001577770427 984778217 /nfs/dbraw/zinc/77/82/17/984778217.db2.gz IFYMQIYHLKXNDF-MCIONIFRSA-N 2 0 239.407 1.306 20 0 BDADRP CCOC(=O)C1(C[NH2+]C[C@@H](C[NH3+])C(C)C)CC1 ZINC001577927844 984816156 /nfs/dbraw/zinc/81/61/56/984816156.db2.gz GHHAONVPWBVZPV-LLVKDONJSA-N 2 0 242.363 1.150 20 0 BDADRP CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH2+]C1CC([NH3+])C1 ZINC001577925973 984820681 /nfs/dbraw/zinc/82/06/81/984820681.db2.gz PEQQCNKMYAECRC-GVAFYICXSA-N 2 0 240.347 1.188 20 0 BDADRP CCOC(=O)C1(C)CC([NH2+][C@@H](C)[C@H](C)[NH3+])C1 ZINC001577925394 984821551 /nfs/dbraw/zinc/82/15/51/984821551.db2.gz INBBRUQHPQJUSI-RKVXJDFWSA-N 2 0 228.336 1.044 20 0 BDADRP C[N@@H+]1CCCC2(CC[NH+](Cc3c[nH]cn3)CC2)C1 ZINC001276202566 984827459 /nfs/dbraw/zinc/82/74/59/984827459.db2.gz BEAMFTSSFWYIQK-UHFFFAOYSA-N 2 0 248.374 1.718 20 0 BDADRP Cn1cc(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)cn1 ZINC001276222096 984831962 /nfs/dbraw/zinc/83/19/62/984831962.db2.gz MYQBNNGZDGEFFL-UHFFFAOYSA-N 2 0 248.374 1.338 20 0 BDADRP [NH3+]Cc1cnn([C@@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC001256900553 984846157 /nfs/dbraw/zinc/84/61/57/984846157.db2.gz PAKZNWGWQQTLNB-CQSZACIVSA-N 2 0 248.374 1.921 20 0 BDADRP CCO[C@@H]1CCC[C@H]1[NH2+]CCC1C[NH2+]C1 ZINC001578151330 984859563 /nfs/dbraw/zinc/85/95/63/984859563.db2.gz DCMSOXCOAHQDBJ-VXGBXAGGSA-N 2 0 212.337 1.143 20 0 BDADRP CCO[C@@]1(C)C[C@H]1[NH2+]C[C@@H](C[NH3+])C(C)C ZINC001578160799 984863912 /nfs/dbraw/zinc/86/39/12/984863912.db2.gz DCROYXHAYYHZHY-UTUOFQBUSA-N 2 0 214.353 1.374 20 0 BDADRP CCC[C@H](C)NC(=[NH2+])NCC[NH+](CC)CC ZINC001257314761 984888796 /nfs/dbraw/zinc/88/87/96/984888796.db2.gz PIDMCXPKPFKISJ-NSHDSACASA-N 2 0 228.384 1.631 20 0 BDADRP CC1CC(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000691886585 984894175 /nfs/dbraw/zinc/89/41/75/984894175.db2.gz RCBWUTUMEPEXQQ-MMVSWEMESA-N 2 0 208.349 1.892 20 0 BDADRP CCn1cnc(Cl)c1C[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC001578357163 985001887 /nfs/dbraw/zinc/00/18/87/985001887.db2.gz NZWVYFFQWNPLOR-DTORHVGOSA-N 2 0 242.754 1.383 20 0 BDADRP C[NH+](C)CC(C)(C)CNC[C@H]([NH3+])CC(F)F ZINC001578413427 985051946 /nfs/dbraw/zinc/05/19/46/985051946.db2.gz NYUDAEAEIHCXFN-SECBINFHSA-N 2 0 237.338 1.146 20 0 BDADRP CN(C)c1ccccc1C[NH2+][C@H]1C[C@@H]([NH3+])C1 ZINC001578428584 985053841 /nfs/dbraw/zinc/05/38/41/985053841.db2.gz AMENXDDXARDWDL-TXEJJXNPSA-N 2 0 219.332 1.332 20 0 BDADRP CN(CC(C)(C)[NH3+])C(=O)C1([NH+](C)C)CCCC1 ZINC001578440888 985063325 /nfs/dbraw/zinc/06/33/25/985063325.db2.gz BZSSOLDGNCBTCA-UHFFFAOYSA-N 2 0 241.379 1.057 20 0 BDADRP CN(CCC[NH+]1CCCCC1)C[C@@H]1CC[NH2+]1 ZINC001578468357 985099058 /nfs/dbraw/zinc/09/90/58/985099058.db2.gz UEYGSTAKNDPSLG-ZDUSSCGKSA-N 2 0 225.380 1.156 20 0 BDADRP C[N@H+](CCC[NH2+]C1CC1)CC(C)(C)CO ZINC001578469321 985101909 /nfs/dbraw/zinc/10/19/09/985101909.db2.gz SJFKOKVQGKMMHN-UHFFFAOYSA-N 2 0 214.353 1.079 20 0 BDADRP c1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000040409652 985137013 /nfs/dbraw/zinc/13/70/13/985137013.db2.gz WKHMICDLAHTTOY-CYBMUJFWSA-N 2 0 204.317 1.776 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3CC[C@H](C[NH3+])C3)[C@@H]2C1 ZINC001578520786 985141861 /nfs/dbraw/zinc/14/18/61/985141861.db2.gz GNJWRIOZZTVYHJ-QNSTZXKLSA-N 3 0 237.391 1.044 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CC[C@H]3CC[C@@]32CN)CC1 ZINC001578524424 985149153 /nfs/dbraw/zinc/14/91/53/985149153.db2.gz WFJWDJPPZJODGG-ZIAGYGMSSA-N 2 0 237.391 1.141 20 0 BDADRP COC(CC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1)OC ZINC000686608243 985156049 /nfs/dbraw/zinc/15/60/49/985156049.db2.gz CJJMFAXVELREPS-ZDUSSCGKSA-N 2 0 242.363 1.023 20 0 BDADRP C[N@@H+]1CCCC[C@H]1CNC[C@@H]([NH3+])CC(F)F ZINC001578528539 985156597 /nfs/dbraw/zinc/15/65/97/985156597.db2.gz IWDXJHKFAUDOIX-UWVGGRQHSA-N 2 0 235.322 1.043 20 0 BDADRP CN1CCCC[C@@H]1C[NH2+]C1CC(CC[NH3+])C1 ZINC001578528333 985160273 /nfs/dbraw/zinc/16/02/73/985160273.db2.gz GMDPIUOMFSULLP-WXRRBKDZSA-N 2 0 225.380 1.188 20 0 BDADRP C[NH2+]C1CC(C(=O)Nc2ccc3c[nH+]cn3c2)C1 ZINC001578594905 985217588 /nfs/dbraw/zinc/21/75/88/985217588.db2.gz HHOZCWTYELJKIM-UHFFFAOYSA-N 2 0 244.298 1.271 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc2c(c1)C[C@@H](C)O2 ZINC001578626737 985244191 /nfs/dbraw/zinc/24/41/91/985244191.db2.gz GURYEEGTQVKLEP-NWDGAFQWSA-N 2 0 248.370 1.955 20 0 BDADRP C[NH2+]CC[C@H]1CCCC[N@@H+]1C[C@H](O)C1CC1 ZINC001578677146 985290957 /nfs/dbraw/zinc/29/09/57/985290957.db2.gz XEBWEQRIOIMSFT-OLZOCXBDSA-N 2 0 226.364 1.221 20 0 BDADRP C[NH2+]CCC[NH2+][C@H](CC(=O)OC)C(C)(C)C ZINC001578691463 985293766 /nfs/dbraw/zinc/29/37/66/985293766.db2.gz PJCPONACMUQLAW-SNVBAGLBSA-N 2 0 230.352 1.163 20 0 BDADRP CNc1ccccc1C[NH+]1CCC(O)(C[NH3+])CC1 ZINC001578763559 985327654 /nfs/dbraw/zinc/32/76/54/985327654.db2.gz KIRJHGGGMDVDQU-UHFFFAOYSA-N 2 0 249.358 1.014 20 0 BDADRP COC(=O)C(C)(C)CC[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001578766433 985327870 /nfs/dbraw/zinc/32/78/70/985327870.db2.gz OZHKRDLVYJTBHM-RUETXSTFSA-N 2 0 240.347 1.045 20 0 BDADRP COC(=O)C1(C[NH2+]CC(C)(C)C[NH3+])CCCC1 ZINC001578780803 985349937 /nfs/dbraw/zinc/34/99/37/985349937.db2.gz JBSGEFQRBZRVQG-UHFFFAOYSA-N 2 0 242.363 1.294 20 0 BDADRP COC(=O)[C@H]1CC[C@@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001578788335 985356172 /nfs/dbraw/zinc/35/61/72/985356172.db2.gz IZIXQOSYRKHUDJ-NNYUYHANSA-N 2 0 240.347 1.045 20 0 BDADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](C[NH3+])C2)C1 ZINC001578833606 985406251 /nfs/dbraw/zinc/40/62/51/985406251.db2.gz ZYKWPDKETAPBMU-WYUUTHIRSA-N 2 0 240.347 1.045 20 0 BDADRP C[C@@H]1COC[C@@H]1[NH2+]CC(C)(C)C[NH+](C)C ZINC000687974829 985435582 /nfs/dbraw/zinc/43/55/82/985435582.db2.gz RVJIPPXUJMUGNU-MNOVXSKESA-N 2 0 214.353 1.199 20 0 BDADRP COC(=O)c1ccccc1CC[NH2+]C1CC([NH3+])C1 ZINC001578880241 985437655 /nfs/dbraw/zinc/43/76/55/985437655.db2.gz IKXMIYBAHSQZQN-UHFFFAOYSA-N 2 0 248.326 1.095 20 0 BDADRP CO[C@@](C)(C[NH2+]C1CC2(C[C@H]2[NH3+])C1)C1CC1 ZINC001578897860 985466351 /nfs/dbraw/zinc/46/63/51/985466351.db2.gz ZJCNFQWJABRSLW-QBHFIFKDSA-N 2 0 224.348 1.271 20 0 BDADRP CO[C@@H](C)[C@@H](C)[NH2+]C1CC2(CC([NH3+])C2)C1 ZINC001578897063 985469404 /nfs/dbraw/zinc/46/94/04/985469404.db2.gz SNFAUITVXAMTDP-POLMXEQASA-N 2 0 212.337 1.269 20 0 BDADRP CO[C@@H](C)C[NH2+]C1(C2CC[NH2+]CC2)CC1 ZINC001578902568 985481213 /nfs/dbraw/zinc/48/12/13/985481213.db2.gz PRLQTJQIAKKTFT-JTQLQIEISA-N 2 0 212.337 1.143 20 0 BDADRP CO[C@@H](CC(C)C)C[N@H+](C)CCC[NH3+] ZINC001578901242 985485399 /nfs/dbraw/zinc/48/53/99/985485399.db2.gz PZFLTHUCZYSIQA-NSHDSACASA-N 2 0 202.342 1.328 20 0 BDADRP C[C@@H]1COC[C@H]1[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000688028878 985504123 /nfs/dbraw/zinc/50/41/23/985504123.db2.gz IMWBYNBRCGOEPN-GRYCIOLGSA-N 2 0 212.337 1.095 20 0 BDADRP COC1(CC[NH2+][C@H]2CC[NH2+]C23CCC3)CCC1 ZINC001578926602 985521249 /nfs/dbraw/zinc/52/12/49/985521249.db2.gz IMOMRRQKYUKHBH-LBPRGKRZSA-N 2 0 238.375 1.820 20 0 BDADRP COC1(C[C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])C2)CCC1 ZINC001578926401 985521616 /nfs/dbraw/zinc/52/16/16/985521616.db2.gz GFRIHAAPJWMIPB-GARJFASQSA-N 2 0 212.337 1.413 20 0 BDADRP COC1(C[NH2+]C2CC3(C[C@H]3[NH3+])C2)CCCC1 ZINC001578930028 985532574 /nfs/dbraw/zinc/53/25/74/985532574.db2.gz NCOCRAPKUNCPCI-MOENNCHZSA-N 2 0 224.348 1.415 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@H]2COC[C@@H]2C)CC1 ZINC000688051486 985533095 /nfs/dbraw/zinc/53/30/95/985533095.db2.gz ZJXKJOBACATZIS-AAEUAGOBSA-N 2 0 226.364 1.484 20 0 BDADRP COC1CC(C[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)C1 ZINC001578936134 985545537 /nfs/dbraw/zinc/54/55/37/985545537.db2.gz OQBWLPDRYGKYJV-TYUFSLCMSA-N 2 0 224.348 1.286 20 0 BDADRP CO[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C1 ZINC001578939186 985553948 /nfs/dbraw/zinc/55/39/48/985553948.db2.gz YAINQGKBZYCDBO-DDHJBXDOSA-N 2 0 212.337 1.413 20 0 BDADRP C(=C/C1CC[NH2+]CC1)\c1ncc2c(n1)C[NH2+]C2 ZINC001243894539 985569065 /nfs/dbraw/zinc/56/90/65/985569065.db2.gz ZUZLHEIBUCMPGY-OWOJBTEDSA-N 2 0 230.315 1.093 20 0 BDADRP COC[C@H](CC1CCOCC1)[NH2+][C@@H](C)CC[NH3+] ZINC001578961427 985587242 /nfs/dbraw/zinc/58/72/42/985587242.db2.gz XONDQZJEEIUKPA-AAEUAGOBSA-N 2 0 244.379 1.145 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+][C@H](COC)CC(C)(C)C ZINC001579000674 985623480 /nfs/dbraw/zinc/62/34/80/985623480.db2.gz AOAIFUQTBFXVSO-RYUDHWBXSA-N 2 0 246.395 1.391 20 0 BDADRP COCC[C@H](C)C[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001578994978 985626054 /nfs/dbraw/zinc/62/60/54/985626054.db2.gz NBHLSWJLQVBBOH-UZEXVOJHSA-N 2 0 212.337 1.128 20 0 BDADRP COCC[C@@H](C)C[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001578994977 985630528 /nfs/dbraw/zinc/63/05/28/985630528.db2.gz NBHLSWJLQVBBOH-QTAHKJALSA-N 2 0 212.337 1.128 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+][C@H](C)CCSC ZINC001579001708 985651703 /nfs/dbraw/zinc/65/17/03/985651703.db2.gz LEAIPUXXFRBAFT-ZJUUUORDSA-N 2 0 220.382 1.081 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+][C@H](C1CC1)C1CCC1 ZINC001579002699 985658083 /nfs/dbraw/zinc/65/80/83/985658083.db2.gz SOEAOSRBXNFOPK-STQMWFEESA-N 2 0 226.364 1.519 20 0 BDADRP COCC[C@@H]([NH3+])C[NH2+]C[C@@H]1C[C@H]1C(C)C ZINC001579004060 985659913 /nfs/dbraw/zinc/65/99/13/985659913.db2.gz OSJTZJSCKTWUML-TUAOUCFPSA-N 2 0 214.353 1.232 20 0 BDADRP COCCN(Cc1cccnc1)CC1(C[NH3+])CC1 ZINC001579031337 985678308 /nfs/dbraw/zinc/67/83/08/985678308.db2.gz BMWKQQDJPFYARR-UHFFFAOYSA-N 2 0 249.358 1.269 20 0 BDADRP COc1cc(CC[NH2+]C2CC(CC[NH3+])C2)ccn1 ZINC001579149504 985815808 /nfs/dbraw/zinc/81/58/08/985815808.db2.gz XDZBMOXNPWORIB-UHFFFAOYSA-N 2 0 249.358 1.350 20 0 BDADRP COc1ccccc1/C=C/C[NH2+]CCC[NH3+] ZINC001579307433 985832852 /nfs/dbraw/zinc/83/28/52/985832852.db2.gz QEMWNBNGJCYONN-QPJJXVBHSA-N 2 0 220.316 1.647 20 0 BDADRP COc1ccccc1/C=C\C[NH2+]CCC[NH3+] ZINC001579307432 985834449 /nfs/dbraw/zinc/83/44/49/985834449.db2.gz QEMWNBNGJCYONN-DAXSKMNVSA-N 2 0 220.316 1.647 20 0 BDADRP C[C@@H](O)[C@H](C)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC001460695074 985875966 /nfs/dbraw/zinc/87/59/66/985875966.db2.gz YHTUKHQGMCWWLS-UONOGXRCSA-N 2 0 242.407 1.954 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1[C@H](C)CC[C@@H]1CO ZINC001460689534 985879595 /nfs/dbraw/zinc/87/95/95/985879595.db2.gz PULLFHYQXRQGDE-CHWSQXEVSA-N 2 0 228.380 1.564 20 0 BDADRP C[C@@H]([NH2+]Cc1cccnc1N)C1CC[NH2+]CC1 ZINC001579414644 985886262 /nfs/dbraw/zinc/88/62/62/985886262.db2.gz KOVDGLZGJQZYNV-SNVBAGLBSA-N 2 0 234.347 1.142 20 0 BDADRP C[C@@H]1C[N@H+](CCC[C@@H]2CCO2)C[C@H]1C[NH3+] ZINC001579440510 985922764 /nfs/dbraw/zinc/92/27/64/985922764.db2.gz GHVQXTKRJQRWIH-IJLUTSLNSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@H](O)C12CCCC2 ZINC001579454588 985939199 /nfs/dbraw/zinc/93/91/99/985939199.db2.gz MUMLOPYLEMEISW-AGIUHOORSA-N 2 0 238.375 1.221 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN(C)CCC[NH+]1CCCC1 ZINC001579454555 985942692 /nfs/dbraw/zinc/94/26/92/985942692.db2.gz KWEFYBBIJSMLID-KGLIPLIRSA-N 2 0 239.407 1.260 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H](C1CC1)C(C)(C)CO ZINC001579459821 985955765 /nfs/dbraw/zinc/95/57/65/985955765.db2.gz ZMKUAENOJSFCKA-WXHSDQCUSA-N 2 0 240.391 1.229 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC001579467424 985966074 /nfs/dbraw/zinc/96/60/74/985966074.db2.gz DRVPNZVTSGKNRX-IJLUTSLNSA-N 2 0 224.348 1.286 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC001579480243 986003719 /nfs/dbraw/zinc/00/37/19/986003719.db2.gz WMSNRRSYGIOPAC-MCDVFOBDSA-N 2 0 224.348 1.127 20 0 BDADRP C[C@H]1[C@@H](O)CC[N@@H+]1Cc1cccc(C[NH3+])c1 ZINC001579507723 986053423 /nfs/dbraw/zinc/05/34/23/986053423.db2.gz HXQDHNCGOJVTQD-GWCFXTLKSA-N 2 0 220.316 1.100 20 0 BDADRP C[C@]12C[N@H+](C[C@@H](O)CC[NH3+])C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001579509703 986061969 /nfs/dbraw/zinc/06/19/69/986061969.db2.gz DCGRTUURCSMQRL-ZUWCUPBKSA-N 2 0 238.375 1.064 20 0 BDADRP Cc1c(Cl)cccc1C[NH2+]CC1C[NH2+]C1 ZINC001579535220 986074549 /nfs/dbraw/zinc/07/45/49/986074549.db2.gz GWGZUBPYHQHQFU-UHFFFAOYSA-N 2 0 224.735 1.957 20 0 BDADRP Cc1c[nH]c(=O)c(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC001579544174 986076795 /nfs/dbraw/zinc/07/67/95/986076795.db2.gz QJEVPLDWBYZZNG-WCQYABFASA-N 2 0 249.358 1.573 20 0 BDADRP Cc1c[nH]c(=O)c(C[NH2+]C[C@@H](C[NH3+])C(C)C)c1 ZINC001579544380 986077581 /nfs/dbraw/zinc/07/75/81/986077581.db2.gz VTAIUSCFLWJXSB-GFCCVEGCSA-N 2 0 237.347 1.416 20 0 BDADRP CC[C@@H](C)C[C@@H](CC)[N@H+](CCN)CCO ZINC001258778869 986164379 /nfs/dbraw/zinc/16/43/79/986164379.db2.gz MUBFVERDSLZQSC-VXGBXAGGSA-N 2 0 216.369 1.454 20 0 BDADRP Cc1cccc(C)c1C[N@@H+](C)C[C@]1(O)CC[NH2+]C1 ZINC001579754650 986209550 /nfs/dbraw/zinc/20/95/50/986209550.db2.gz KHTOWLHGPFAFIN-HNNXBMFYSA-N 2 0 248.370 1.460 20 0 BDADRP Cc1nnc([C@H](C)[NH2+]C2CC3(C[C@@H]3[NH3+])C2)s1 ZINC001579897038 986313717 /nfs/dbraw/zinc/31/37/17/986313717.db2.gz KVBNPHCYCSNJFG-RNVFCPPHSA-N 2 0 238.360 1.377 20 0 BDADRP Cc1noc([C@H]([NH2+]CCC2C[NH2+]C2)C(C)C)n1 ZINC001579917089 986338416 /nfs/dbraw/zinc/33/84/16/986338416.db2.gz NSXAOPALTJBNQX-LLVKDONJSA-N 2 0 238.335 1.274 20 0 BDADRP C[NH+](C)[C@H]1CC[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)CC1 ZINC001253752484 986373591 /nfs/dbraw/zinc/37/35/91/986373591.db2.gz VJVAHHNQZYOPQG-FRRDWIJNSA-N 2 0 242.407 1.856 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CC1(F)F ZINC000689185264 986381943 /nfs/dbraw/zinc/38/19/43/986381943.db2.gz KACWESYZZGVOKJ-OPRDCNLKSA-N 2 0 230.302 1.891 20 0 BDADRP Cn1cncc1C1CC[NH+](CCC2C[NH2+]C2)CC1 ZINC001579984759 986385058 /nfs/dbraw/zinc/38/50/58/986385058.db2.gz FVNUFPCRBPSCRN-UHFFFAOYSA-N 2 0 248.374 1.209 20 0 BDADRP Cn1ncc(C[NH3+])c1C[NH2+]CCC1CC=CC1 ZINC001580002396 986402392 /nfs/dbraw/zinc/40/23/92/986402392.db2.gz QZJDAODFPVJTDI-UHFFFAOYSA-N 2 0 234.347 1.325 20 0 BDADRP C[NH2+]Cc1cccc(-c2cnc(C[NH3+])nc2)c1F ZINC001244860593 986403050 /nfs/dbraw/zinc/40/30/50/986403050.db2.gz RZGAGJGFSWUXPV-UHFFFAOYSA-N 2 0 246.289 1.461 20 0 BDADRP Cn1ncc(C[NH3+])c1C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC001580002496 986404239 /nfs/dbraw/zinc/40/42/39/986404239.db2.gz WEDHTUITCFWLID-GFCCVEGCSA-N 2 0 248.374 1.501 20 0 BDADRP CC(C)[C@@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001253778245 986412527 /nfs/dbraw/zinc/41/25/27/986412527.db2.gz KDKAEMHYMARTSQ-RNJOBUHISA-N 2 0 226.364 1.218 20 0 BDADRP FC1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000689418548 986587824 /nfs/dbraw/zinc/58/78/24/986587824.db2.gz FGYFIKHUWVQLJI-JTQLQIEISA-N 2 0 200.301 1.420 20 0 BDADRP [NH3+]C1(CC[NH2+][C@H]2CCCSC2)CCOCC1 ZINC001580143773 986619100 /nfs/dbraw/zinc/61/91/00/986619100.db2.gz GKTJLAGHGSRXGP-NSHDSACASA-N 2 0 244.404 1.370 20 0 BDADRP [NH3+]C1(C[NH2+][C@H]2C[C@@H]3CCC[C@@H]32)CCOCC1 ZINC001580152287 986621925 /nfs/dbraw/zinc/62/19/25/986621925.db2.gz CYBSURSYJPVFFE-SRVKXCTJSA-N 2 0 224.348 1.273 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+]C[C@H]1CCCC[C@@H]1O)C2 ZINC001580164733 986635122 /nfs/dbraw/zinc/63/51/22/986635122.db2.gz IXKMDBQBZHIWFH-NQLXBKOGSA-N 2 0 224.348 1.007 20 0 BDADRP [NH3+][C@H]1CC12CC([NH2+]CCc1ccco1)C2 ZINC001580164229 986637546 /nfs/dbraw/zinc/63/75/46/986637546.db2.gz GKTULVWHELHPMY-ZYXZCXLHSA-N 2 0 206.289 1.292 20 0 BDADRP [NH3+]C1CC([NH2+]CCc2cccc3c2OCCO3)C1 ZINC001580164147 986638945 /nfs/dbraw/zinc/63/89/45/986638945.db2.gz QDDFLOUGNUMJCX-UHFFFAOYSA-N 2 0 248.326 1.080 20 0 BDADRP [NH3+][C@H]1CC=C(C(=O)Nc2ccc3c[nH+]cn3c2)C1 ZINC001580168129 986640224 /nfs/dbraw/zinc/64/02/24/986640224.db2.gz APTLRJCDEOYULP-JTQLQIEISA-N 2 0 242.282 1.320 20 0 BDADRP [NH3+][C@H]1CC12CC([NH2+]Cc1ccc3nonc3c1)C2 ZINC001580165859 986645213 /nfs/dbraw/zinc/64/52/13/986645213.db2.gz NFBAYSXNOOHXOC-YHECAPGISA-N 2 0 244.298 1.192 20 0 BDADRP C[C@@H]1CCC[N@@H+]([C@@H]2CCC[NH+](C)CC2)[C@@H]1CO ZINC001254517093 986655327 /nfs/dbraw/zinc/65/53/27/986655327.db2.gz RYUDNEYOYNCOIN-MGPQQGTHSA-N 2 0 240.391 1.564 20 0 BDADRP [NH3+]CC1CC([NH2+][C@H]2c3ccccc3CC[C@H]2O)C1 ZINC001580256029 986710042 /nfs/dbraw/zinc/71/00/42/986710042.db2.gz POZNTLZQEBBJPS-YQWPXRDNSA-N 2 0 246.354 1.362 20 0 BDADRP [NH3+]C[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001580260805 986714344 /nfs/dbraw/zinc/71/43/44/986714344.db2.gz SDNSANRBXNIXQN-KQSJRHEJSA-N 2 0 210.321 1.023 20 0 BDADRP [NH3+]C[C@@H]1CCCC12CC[NH+](CCF)CC2 ZINC001580259534 986716180 /nfs/dbraw/zinc/71/61/80/986716180.db2.gz BURNVNXLNGIWRL-NSHDSACASA-N 2 0 214.328 1.797 20 0 BDADRP Nc1ncccc1C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC001580286484 986732461 /nfs/dbraw/zinc/73/24/61/986732461.db2.gz FZYVSWWGXQKMPJ-LBPRGKRZSA-N 2 0 234.347 1.367 20 0 BDADRP [NH3+]CCC1CC([NH2+]C[C@@H](CO)CC2CC2)C1 ZINC001580287550 986733261 /nfs/dbraw/zinc/73/32/61/986733261.db2.gz WJSGBCQRZAHGNL-CPCZMJQVSA-N 2 0 226.364 1.112 20 0 BDADRP [NH3+]CCC[N@@H+]1CCO[C@H](c2ccccc2)CC1 ZINC001580298621 986738969 /nfs/dbraw/zinc/73/89/69/986738969.db2.gz RCYIENXWOUERSJ-AWEZNQCLSA-N 2 0 234.343 1.799 20 0 BDADRP [NH3+]C[C@H]1C[C@H]([NH2+]Cc2ncccc2F)C1 ZINC001580333424 986775549 /nfs/dbraw/zinc/77/55/49/986775549.db2.gz HNZDUPAEKANJCQ-KYZUINATSA-N 2 0 209.268 1.048 20 0 BDADRP Nc1ncccc1C[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC001580332786 986775815 /nfs/dbraw/zinc/77/58/15/986775815.db2.gz NRQNGQZDRSPUNM-UMSPYCQHSA-N 2 0 234.347 1.271 20 0 BDADRP [NH3+]C[C@H]1C[C@H]([NH2+]Cc2cn(C3CC3)cn2)C1 ZINC001580332930 986778237 /nfs/dbraw/zinc/77/82/37/986778237.db2.gz AJFJYICVVMJBRX-MGCOHNPYSA-N 2 0 220.320 1.045 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2O)cc1 ZINC001580339097 986783310 /nfs/dbraw/zinc/78/33/10/986783310.db2.gz DENLOHGGZVTZNU-CHWSQXEVSA-N 2 0 220.316 1.148 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCOCC3(CC3)C2)C1 ZINC001580387307 986811245 /nfs/dbraw/zinc/81/12/45/986811245.db2.gz XIPJWXUULMFHGP-NWDGAFQWSA-N 2 0 224.348 1.226 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@H](c3cnccn3)C2)C1 ZINC001580387560 986813683 /nfs/dbraw/zinc/81/36/83/986813683.db2.gz MUNLOEYOZJHTKG-RWMBFGLXSA-N 2 0 246.358 1.393 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+]CCCCC[NH+]2CCCC2)C1 ZINC001580421885 986838069 /nfs/dbraw/zinc/83/80/69/986838069.db2.gz UGBAOYDCWKBCNO-OKILXGFUSA-N 3 0 239.407 1.579 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCSC[C@H]2C2CCC2)C1 ZINC001580419182 986839056 /nfs/dbraw/zinc/83/90/56/986839056.db2.gz VRQGQHSXIXZVKU-UHTWSYAYSA-N 2 0 240.416 1.941 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]C/C=C\c2ccc(F)cc2)C1 ZINC001580422880 986840101 /nfs/dbraw/zinc/84/01/01/986840101.db2.gz GHJZVQTVBFPMEK-JPIVSMNTSA-N 2 0 220.291 1.918 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]CCSCc2ccccc2)C1 ZINC001580423233 986840978 /nfs/dbraw/zinc/84/09/78/986840978.db2.gz VVKHEHQUSZFXOM-BETUJISGSA-N 2 0 236.384 1.999 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC001580423052 986841994 /nfs/dbraw/zinc/84/19/94/986841994.db2.gz NMVLKAGFURMRCI-MJDLHHQISA-N 2 0 222.332 1.023 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)C1 ZINC001580430454 986848631 /nfs/dbraw/zinc/84/86/31/986848631.db2.gz MOKDWOPEJYVHBV-SYLRKERUSA-N 2 0 224.348 1.271 20 0 BDADRP CCCC[C@@H](C)NC(=[NH2+])NCCCC[NH3+] ZINC001255313110 986906086 /nfs/dbraw/zinc/90/60/86/986906086.db2.gz JNCXCNUSBDBCLY-SNVBAGLBSA-N 2 0 214.357 1.418 20 0 BDADRP [NH3+]Cc1cnccc1-c1ccc2c(c1)C[NH2+]C2 ZINC001245560221 986954832 /nfs/dbraw/zinc/95/48/32/986954832.db2.gz PLVVNFXEJOTZTR-UHFFFAOYSA-N 2 0 225.295 1.811 20 0 BDADRP C[N@@H+]1CC[C@@H](N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC001255438855 986960746 /nfs/dbraw/zinc/96/07/46/986960746.db2.gz PFLRXOVDVQBITI-ZIAGYGMSSA-N 2 0 237.391 1.251 20 0 BDADRP C[C@H](CCO)CC[NH2+]CC1CC[NH+](C)CC1 ZINC000397769035 986998599 /nfs/dbraw/zinc/99/85/99/986998599.db2.gz KOJQABJOIPSSFB-LBPRGKRZSA-N 2 0 228.380 1.326 20 0 BDADRP COC[C@@H](C)n1cc(CC[NH3+])c2c[nH+]ccc21 ZINC001255563641 987015438 /nfs/dbraw/zinc/01/54/38/987015438.db2.gz PLWORJZYISOZBR-SNVBAGLBSA-N 2 0 233.315 1.745 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]CCC(=O)OC ZINC001255942747 987078894 /nfs/dbraw/zinc/07/88/94/987078894.db2.gz AUWFIRPOUMOQQD-NSHDSACASA-N 2 0 230.352 1.260 20 0 BDADRP [NH3+]Cc1cc(-c2ccc3c[nH+]cn3c2)ccn1 ZINC001245896053 987111410 /nfs/dbraw/zinc/11/14/10/987111410.db2.gz JVOVPMVVVOBGII-UHFFFAOYSA-N 2 0 224.267 1.855 20 0 BDADRP C[C@H](Cc1ccccn1)[NH2+]CCCC[NH3+] ZINC001256397549 987209676 /nfs/dbraw/zinc/20/96/76/987209676.db2.gz JXHNKUQQHRFTDD-LLVKDONJSA-N 2 0 207.321 1.341 20 0 BDADRP CCCCOC[C@@H](O)C[NH2+]CC1([NH3+])CCCC1 ZINC001245972849 987241809 /nfs/dbraw/zinc/24/18/09/987241809.db2.gz FPYPBUWBLLBHGV-LBPRGKRZSA-N 2 0 244.379 1.025 20 0 BDADRP CCCCC[C@H](O)C[NH2+]C[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001245974339 987250838 /nfs/dbraw/zinc/25/08/38/987250838.db2.gz MFLLGOSXYJEBBV-RDBSUJKOSA-N 2 0 242.407 1.905 20 0 BDADRP CCCCC[C@H](O)C[NH2+]C[C@H]1CCC[NH2+][C@@H]1C ZINC001245983194 987261644 /nfs/dbraw/zinc/26/16/44/987261644.db2.gz NLLVJWKBGUJTOE-MCIONIFRSA-N 2 0 242.407 1.905 20 0 BDADRP C[C@H]1C[C@H]1[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256677132 987262355 /nfs/dbraw/zinc/26/23/55/987262355.db2.gz KZFOJNQJMCXAEM-GFJIZPEISA-N 2 0 238.375 1.628 20 0 BDADRP CCCCOC[C@H](O)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC001245994588 987270382 /nfs/dbraw/zinc/27/03/82/987270382.db2.gz LQXATBLBJWZHDK-YNEHKIRRSA-N 2 0 244.379 1.024 20 0 BDADRP CC(C)(C)[C@@H](O)C[NH2+][C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001246005879 987283241 /nfs/dbraw/zinc/28/32/41/987283241.db2.gz ZGQLRUICFUKTMB-YUTCNCBUSA-N 2 0 240.391 1.787 20 0 BDADRP COc1cccc([C@H](O)C[NH2+]CC[C@H](C)[NH3+])c1 ZINC001246000596 987285036 /nfs/dbraw/zinc/28/50/36/987285036.db2.gz LLVYMRKMEJZZCS-GXFFZTMASA-N 2 0 238.331 1.056 20 0 BDADRP C[C@@H](O)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000692911888 987294736 /nfs/dbraw/zinc/29/47/36/987294736.db2.gz FDEZLOXRSVQNGW-YPMHNXCESA-N 2 0 226.364 1.079 20 0 BDADRP CC(C)[C@H](O)C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246018626 987306386 /nfs/dbraw/zinc/30/63/86/987306386.db2.gz FZZPMTQBFCKVPS-VXGBXAGGSA-N 2 0 214.353 1.207 20 0 BDADRP CC(C)[C@H](O)C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246021753 987313802 /nfs/dbraw/zinc/31/38/02/987313802.db2.gz OYTNRZQRHOAPCG-VXGBXAGGSA-N 2 0 232.343 1.156 20 0 BDADRP CC(C)(C)[C@@H](O)C[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246025922 987316402 /nfs/dbraw/zinc/31/64/02/987316402.db2.gz YHIQSBVKTVPORE-WCQYABFASA-N 2 0 246.370 1.546 20 0 BDADRP CO[C@@H]1CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000697039170 987347663 /nfs/dbraw/zinc/34/76/63/987347663.db2.gz DAYCUXMOWSNTJB-VXGBXAGGSA-N 2 0 212.337 1.097 20 0 BDADRP CCC[C@H](O)C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001246059115 987349724 /nfs/dbraw/zinc/34/97/24/987349724.db2.gz ICXCHZKQUCHEMP-FRRDWIJNSA-N 2 0 226.364 1.221 20 0 BDADRP O[C@@H](C[NH2+]C1(C2CCC2)CC1)C[NH+]1CCCC1 ZINC000697353011 987353216 /nfs/dbraw/zinc/35/32/16/987353216.db2.gz WTXBRYLBAYRLPS-ZDUSSCGKSA-N 2 0 238.375 1.365 20 0 BDADRP COC(=O)CCCC[C@@H](C)[NH2+]C1CC[NH2+]CC1 ZINC001246073153 987361144 /nfs/dbraw/zinc/36/11/44/987361144.db2.gz PNTWNSPAOWRUHU-LLVKDONJSA-N 2 0 242.363 1.450 20 0 BDADRP C[NH2+]CC[C@@H](C)[NH2+]CCCCCCCC[NH3+] ZINC001246075108 987364907 /nfs/dbraw/zinc/36/49/07/987364907.db2.gz DDCRNGLDXXSQCW-CYBMUJFWSA-N 3 0 229.412 1.873 20 0 BDADRP C[C@@H]1CC[C@H](N[C@@H](C[NH3+])c2ccccc2)C[NH2+]1 ZINC001246077276 987368020 /nfs/dbraw/zinc/36/80/20/987368020.db2.gz RYMTZLXVVARENW-XBFCOCLRSA-N 2 0 233.359 1.417 20 0 BDADRP Cc1cc(C)n(CC[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)n1 ZINC001246086222 987384219 /nfs/dbraw/zinc/38/42/19/987384219.db2.gz SNIBYIPIIDBIJY-GXFFZTMASA-N 2 0 236.363 1.230 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCCC[NH2+]C2)CC1 ZINC001246089432 987392695 /nfs/dbraw/zinc/39/26/95/987392695.db2.gz FAOBLULRNASHCJ-ROKHWSDSSA-N 3 0 239.407 1.591 20 0 BDADRP C1[NH2+]CC12CCC([NH2+][C@H]1CCCC[NH2+]C1)CC2 ZINC001246090940 987397162 /nfs/dbraw/zinc/39/71/62/987397162.db2.gz NIHQEYGBZFOEIN-ZDUSSCGKSA-N 3 0 237.391 1.250 20 0 BDADRP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@@](C)(O)CC2)CC[NH2+]1 ZINC001246094410 987404522 /nfs/dbraw/zinc/40/45/22/987404522.db2.gz XPKSUJGPKJSMNU-WUHRBBMRSA-N 2 0 226.364 1.410 20 0 BDADRP CCCC[C@@H]1C[C@@H](N[C@]2(C)CC[NH2+]C2)CC[NH2+]1 ZINC001246095448 987404788 /nfs/dbraw/zinc/40/47/88/987404788.db2.gz GGPJEQBCFYZPAC-HZSPNIEDSA-N 2 0 239.407 1.639 20 0 BDADRP C[C@H]1CC[C@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[NH2+]1 ZINC001246096922 987407197 /nfs/dbraw/zinc/40/71/97/987407197.db2.gz NQTLJYBKYBTLJR-CSHRUCKSSA-N 2 0 237.391 1.247 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@H]2CCSC2)C[NH2+]1 ZINC001246096938 987408241 /nfs/dbraw/zinc/40/82/41/987408241.db2.gz NREXXPBURSWZDH-VWYCJHECSA-N 2 0 214.378 1.470 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](C[NH2+][C@H]2CCCSC2)C1 ZINC001246100013 987416644 /nfs/dbraw/zinc/41/66/44/987416644.db2.gz NDWDLBPDVTZHIS-TUAOUCFPSA-N 2 0 228.405 1.717 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[C@H](C)C[NH2+]2)C1 ZINC001246103225 987427768 /nfs/dbraw/zinc/42/77/68/987427768.db2.gz GSGOTMNTIBRBPA-IGQOVBAYSA-N 2 0 240.391 1.922 20 0 BDADRP CC[C@@H]1C[C@H](NC[C@@H]2C[NH2+]C[C@H](C)C2)CC[NH2+]1 ZINC001246106331 987431722 /nfs/dbraw/zinc/43/17/22/987431722.db2.gz XGSWJIBLBCQUHB-XJFOESAGSA-N 2 0 239.407 1.352 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+][C@H]2C[C@H]3C[C@H]3C2)[NH2+]C1 ZINC001246105637 987432349 /nfs/dbraw/zinc/43/23/49/987432349.db2.gz NFZHABCQCFUHIY-BNDIWNMDSA-N 2 0 208.349 1.763 20 0 BDADRP CC[C@@H]1C[C@H](NC[C@H]2C[NH2+]C[C@@H](C)C2)CC[NH2+]1 ZINC001246106329 987433347 /nfs/dbraw/zinc/43/33/47/987433347.db2.gz XGSWJIBLBCQUHB-REWJHTLYSA-N 2 0 239.407 1.352 20 0 BDADRP C[C@@H]1CC[C@H](CN[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)[NH2+]C1 ZINC001246105460 987433493 /nfs/dbraw/zinc/43/34/93/987433493.db2.gz BMYMXJBHQSAZBO-RKQHYHRCSA-N 2 0 237.391 1.247 20 0 BDADRP F[C@]1(CN[C@@H]2CCCC[NH2+]C2)CCCC[NH2+]C1 ZINC001246105382 987433646 /nfs/dbraw/zinc/43/36/46/987433646.db2.gz BFYAEZYVCIRVPA-CHWSQXEVSA-N 2 0 243.370 1.200 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@H]2C[C@H]3C[C@H]3C2)[NH2+]C1 ZINC001246105642 987433868 /nfs/dbraw/zinc/43/38/68/987433868.db2.gz NFZHABCQCFUHIY-LBELIVKGSA-N 2 0 208.349 1.763 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001246106673 987434301 /nfs/dbraw/zinc/43/43/01/987434301.db2.gz DVRIDIYHLYTEGE-OBPIAQAESA-N 2 0 208.349 1.763 20 0 BDADRP C[C@@H]1CC[C@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)[NH2+]C1 ZINC001246105463 987434541 /nfs/dbraw/zinc/43/45/41/987434541.db2.gz BMYMXJBHQSAZBO-RQICVUQASA-N 2 0 237.391 1.247 20 0 BDADRP C(C[NH2+][C@@H]1CCCNC1)CC1CC[NH2+]CC1 ZINC001246107692 987438152 /nfs/dbraw/zinc/43/81/52/987438152.db2.gz UIEDIHAZQDBPFL-CYBMUJFWSA-N 2 0 225.380 1.108 20 0 BDADRP C(N[C@@H]1CCCC[NH2+]C1)[C@@H]1CCCC[NH2+]C1 ZINC001246109210 987440713 /nfs/dbraw/zinc/44/07/13/987440713.db2.gz ACKMGJBUISYDKC-CHWSQXEVSA-N 2 0 225.380 1.108 20 0 BDADRP C[C@H]1[NH2+]CCC[C@@H]1C[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001246110348 987442735 /nfs/dbraw/zinc/44/27/35/987442735.db2.gz LKZXDNDVMGHFIY-DUJLVANISA-N 2 0 236.359 1.450 20 0 BDADRP C[C@@H]1CC[C@@H](CN[C@@H]2CCC[N@H+](C)C2)[NH2+]C1 ZINC001246111285 987445901 /nfs/dbraw/zinc/44/59/01/987445901.db2.gz JATSZAKHKONSFN-FRRDWIJNSA-N 2 0 225.380 1.058 20 0 BDADRP CCCC[C@@H]1C[C@@H](N[C@H]2C[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC001246113570 987450811 /nfs/dbraw/zinc/45/08/11/987450811.db2.gz DDRBFCDBDCVHSA-CRWXNKLISA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H]1CC[C@H](CN[C@H]2CCCC[NH2+]C2)[NH2+]C1 ZINC001246113333 987450901 /nfs/dbraw/zinc/45/09/01/987450901.db2.gz NTWNODWCEZWJBV-FRRDWIJNSA-N 2 0 225.380 1.106 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1C[NH2+][C@H]1CCSC1 ZINC001246113866 987451143 /nfs/dbraw/zinc/45/11/43/987451143.db2.gz ULUDGPMYJUDADM-DCAQKATOSA-N 2 0 214.378 1.470 20 0 BDADRP C[C@H]1C[C@@H](NC[C@H]2CCC[NH2+][C@H]2C)CC[NH2+]1 ZINC001246114469 987455181 /nfs/dbraw/zinc/45/51/81/987455181.db2.gz WQOOWWMCIZZXSF-RVMXOQNASA-N 2 0 225.380 1.105 20 0 BDADRP COC(=O)CC[C@H](C)[NH2+]C[C@@H]1C[NH2+]CC[C@H]1C ZINC001246117287 987461342 /nfs/dbraw/zinc/46/13/42/987461342.db2.gz YWSWLKPFDGGABV-WOPDTQHZSA-N 2 0 242.363 1.163 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]C[C@H]2C[NH2+]CC[C@@H]2C)CCO1 ZINC001246118795 987464421 /nfs/dbraw/zinc/46/44/21/987464421.db2.gz IOXNXNDPOPHMMY-REWJHTLYSA-N 2 0 240.391 1.779 20 0 BDADRP CC(C)[C@H]1C[C@H](N[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246120100 987464468 /nfs/dbraw/zinc/46/44/68/987464468.db2.gz LCCHRGOYZWIYTR-FRRDWIJNSA-N 2 0 225.380 1.105 20 0 BDADRP CC(C)C[C@@H](C)C[C@@H](C)[NH2+]CCC1(O)C[NH2+]C1 ZINC001246117857 987465574 /nfs/dbraw/zinc/46/55/74/987465574.db2.gz MHYNBEKJNZRJIP-CHWSQXEVSA-N 2 0 242.407 1.761 20 0 BDADRP C([NH2+][C@H]1CCCNC1)C1CC2(C1)CC[NH2+]CC2 ZINC001246123698 987471409 /nfs/dbraw/zinc/47/14/09/987471409.db2.gz AFUJKZNKQBSGQM-ZDUSSCGKSA-N 2 0 237.391 1.108 20 0 BDADRP CC1(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]CC1 ZINC001246127611 987479646 /nfs/dbraw/zinc/47/96/46/987479646.db2.gz LJSBMSWRQNUXBA-FOSCPWQOSA-N 2 0 223.364 1.001 20 0 BDADRP C1[C@H]2C[NH2+]C[C@@]12N[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246133966 987486272 /nfs/dbraw/zinc/48/62/72/987486272.db2.gz KVHHHYQLLUZLJB-GUTXKFCHSA-N 2 0 249.402 1.393 20 0 BDADRP CC[C@@H]1CC[C@@H]([NH2+][C@@H]2C[NH2+]CC23CC3)C1 ZINC001246133420 987490202 /nfs/dbraw/zinc/49/02/02/987490202.db2.gz NXHWYFSATUPRNO-IJLUTSLNSA-N 2 0 208.349 1.907 20 0 BDADRP c1cc2c(s1)[C@@H](NC1CC[NH2+]CC1)C[NH2+]C2 ZINC001246140568 987500004 /nfs/dbraw/zinc/50/00/04/987500004.db2.gz GGDXTUHMMOJKDU-NSHDSACASA-N 2 0 237.372 1.234 20 0 BDADRP c1cc2c(s1)[C@@H](N[C@@H]1CCC[NH2+]C1)C[NH2+]C2 ZINC001246144776 987504092 /nfs/dbraw/zinc/50/40/92/987504092.db2.gz VABVSGRSYGRBAL-MNOVXSKESA-N 2 0 237.372 1.234 20 0 BDADRP CCC[C@H](C)[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001246147003 987504537 /nfs/dbraw/zinc/50/45/37/987504537.db2.gz PCOOTLKPKGZZCC-STQMWFEESA-N 2 0 239.407 1.639 20 0 BDADRP C[NH2+]CC[C@H](C)N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001246144270 987504980 /nfs/dbraw/zinc/50/49/80/987504980.db2.gz SQXQMIMYCZJRIP-CFVMTHIKSA-N 2 0 247.386 1.677 20 0 BDADRP CC1(C)CCC[C@H]([NH2+][C@H]2CO[C@@H]3C[NH2+]C[C@H]23)C1 ZINC001246150467 987507020 /nfs/dbraw/zinc/50/70/20/987507020.db2.gz WIZCEZDRNYXRER-QNWHQSFQSA-N 2 0 238.375 1.532 20 0 BDADRP CCCCCC[C@H](C)[NH2+][C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001246149852 987507124 /nfs/dbraw/zinc/50/71/24/987507124.db2.gz VEPAZWVWQPZOER-RFQIPJPRSA-N 2 0 240.391 1.922 20 0 BDADRP CC[C@@H](C)[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001246148509 987508573 /nfs/dbraw/zinc/50/85/73/987508573.db2.gz SPWYDIBGJREMBL-VXGBXAGGSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+][C@H]2CO[C@@H]3C[NH2+]C[C@H]23)C[C@@H]1C ZINC001246151190 987512868 /nfs/dbraw/zinc/51/28/68/987512868.db2.gz ZFZFCYXPTUHIIO-GUDWOMEESA-N 2 0 238.375 1.388 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+][C@H]2CO[C@@H]3C[NH2+]C[C@H]23)C[C@@H]1C ZINC001246151189 987513235 /nfs/dbraw/zinc/51/32/35/987513235.db2.gz ZFZFCYXPTUHIIO-CLHCLYRXSA-N 2 0 238.375 1.388 20 0 BDADRP CCCC[N@H+](CC)CCNC1CC[NH2+]CC1 ZINC001246161385 987520312 /nfs/dbraw/zinc/52/03/12/987520312.db2.gz LCSLLFIOSCYYDL-UHFFFAOYSA-N 2 0 227.396 1.450 20 0 BDADRP C[C@@H]1C[C@@H](NCC[NH2+]Cc2ccccc2)CC[NH2+]1 ZINC001246165596 987526885 /nfs/dbraw/zinc/52/68/85/987526885.db2.gz JPCTZHCQJALZDQ-HIFRSBDPSA-N 2 0 247.386 1.506 20 0 BDADRP Cc1ccc(CC[NH2+]C2CC[NH2+]CC2)s1 ZINC001246170809 987530673 /nfs/dbraw/zinc/53/06/73/987530673.db2.gz UDPYRXVIOQDDFX-UHFFFAOYSA-N 2 0 224.373 1.941 20 0 BDADRP C1C([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC12CC[NH2+]CC2 ZINC001246172519 987538199 /nfs/dbraw/zinc/53/81/99/987538199.db2.gz HPIZABQNPRNQNG-FUNVUKJBSA-N 3 0 249.402 1.391 20 0 BDADRP CC(C)N(CCC[NH3+])[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246173190 987539653 /nfs/dbraw/zinc/53/96/53/987539653.db2.gz QYODCBYOFIIZFD-NWDGAFQWSA-N 2 0 213.369 1.186 20 0 BDADRP Cc1cnc(CC[NH3+])n1[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246176042 987540277 /nfs/dbraw/zinc/54/02/77/987540277.db2.gz JXTRRCMHSPHOHO-ONGXEEELSA-N 2 0 222.336 1.006 20 0 BDADRP [NH3+]CCCN(C1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC001246178933 987550678 /nfs/dbraw/zinc/55/06/78/987550678.db2.gz PEVGABRVOMJPPS-AWEZNQCLSA-N 2 0 239.407 1.722 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@H]1CCC[NH2+]1)C2 ZINC001246186695 987564830 /nfs/dbraw/zinc/56/48/30/987564830.db2.gz GUGJUJWLFKNSCG-YIYPIFLZSA-N 2 0 237.391 1.343 20 0 BDADRP CCCC[C@H]1C[C@H](NC[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC001246187216 987567123 /nfs/dbraw/zinc/56/71/23/987567123.db2.gz MQMKGKSHLDHIQY-BFHYXJOUSA-N 2 0 239.407 1.639 20 0 BDADRP CC(C)C[C@H](C)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246191972 987577724 /nfs/dbraw/zinc/57/77/24/987577724.db2.gz COENNWPHRCJBEZ-NWDGAFQWSA-N 2 0 225.380 1.105 20 0 BDADRP C([NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2)[C@@H]1CCC[NH2+]1 ZINC001246195315 987586253 /nfs/dbraw/zinc/58/62/53/987586253.db2.gz RDZWDXJNSUMNPH-OLZOCXBDSA-N 3 0 237.391 1.250 20 0 BDADRP CCOC(=O)C[C@H](C)[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246194027 987587433 /nfs/dbraw/zinc/58/74/33/987587433.db2.gz QBTJGLFBYJZIPI-GARJFASQSA-N 2 0 228.336 1.058 20 0 BDADRP [NH3+]Cc1ccc2nn(C3CC[NH2+]CC3)cc2c1 ZINC001246199686 987596155 /nfs/dbraw/zinc/59/61/55/987596155.db2.gz XISNOJWRFPVESK-UHFFFAOYSA-N 2 0 230.315 1.420 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]CCCC[NH2+]C)C[C@H](CC)[NH2+]1 ZINC001246204177 987599240 /nfs/dbraw/zinc/59/92/40/987599240.db2.gz PGJUMWLLAVHYRQ-WDNDVIMCSA-N 3 0 241.423 1.885 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001246206463 987602897 /nfs/dbraw/zinc/60/28/97/987602897.db2.gz PRNIHIVUOSPLQM-XQHREUISSA-N 2 0 224.348 1.556 20 0 BDADRP CC[C@H](C)N[C@@H](CCC[NH3+])C(=O)OC(C)(C)C ZINC001246207338 987604468 /nfs/dbraw/zinc/60/44/68/987604468.db2.gz OWWZLDDFRTWNSF-QWRGUYRKSA-N 2 0 244.379 1.824 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC[C@@H](O)c2ccccc2)CC[NH2+]1 ZINC001246210581 987605826 /nfs/dbraw/zinc/60/58/26/987605826.db2.gz JCJAFZJINCZHFL-BPLDGKMQSA-N 2 0 248.370 1.840 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC[C@H](O)c2ccccc2)CC[NH2+]1 ZINC001246210583 987607224 /nfs/dbraw/zinc/60/72/24/987607224.db2.gz JCJAFZJINCZHFL-SNPRPXQTSA-N 2 0 248.370 1.840 20 0 BDADRP FC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCOCC1 ZINC001246217295 987613831 /nfs/dbraw/zinc/61/38/31/987613831.db2.gz RBCSQGSQUYCFAE-FOSCPWQOSA-N 2 0 242.338 1.378 20 0 BDADRP C([NH2+][C@H]1CCCC[NH2+]C1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246221751 987619656 /nfs/dbraw/zinc/61/96/56/987619656.db2.gz JMKTYPBNBRDZHX-FQUUOJAGSA-N 3 0 237.391 1.249 20 0 BDADRP CC[C@H](C)C[C@H](C)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246235301 987631732 /nfs/dbraw/zinc/63/17/32/987631732.db2.gz YZYAQHZWIKEAPI-AVGNSLFASA-N 2 0 239.407 1.495 20 0 BDADRP C[C@H]1CC[C@@H](N[C@H]2CCCC[C@@H]2[NH+](C)C)C[NH2+]1 ZINC001246235360 987632328 /nfs/dbraw/zinc/63/23/28/987632328.db2.gz JZGKSLJYUNIDMA-CRWXNKLISA-N 2 0 239.407 1.589 20 0 BDADRP C[C@@H](Cc1cnccn1)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC001246237421 987635113 /nfs/dbraw/zinc/63/51/13/987635113.db2.gz OBGJRXFAVAZWLN-WOPDTQHZSA-N 2 0 234.347 1.138 20 0 BDADRP C[C@@H]1C[C@@H](n2ncc3cccc(C[NH3+])c32)CC[NH2+]1 ZINC001246237088 987635119 /nfs/dbraw/zinc/63/51/19/987635119.db2.gz AIZXBTBRSSGCOM-MFKMUULPSA-N 2 0 244.342 1.808 20 0 BDADRP C[C@@H]1C[C@H]([N@H+](C)C2CCC([NH3+])CC2)CC[NH2+]1 ZINC001246238727 987637327 /nfs/dbraw/zinc/63/73/27/987637327.db2.gz ZGIIDMFQWOQJOS-IKWCTNDRSA-N 3 0 225.380 1.329 20 0 BDADRP C[C@@H]1CC[C@@H](n2ncc3cccc(C[NH3+])c32)C[NH2+]1 ZINC001246238503 987638943 /nfs/dbraw/zinc/63/89/43/987638943.db2.gz FZNNCCCQJMMUII-ZWNOBZJWSA-N 2 0 244.342 1.808 20 0 BDADRP CO[C@H]1C[NH2+]C[C@@H]1N[C@H]1C[C@H](C)CC(C)(C)C1 ZINC001246241232 987642022 /nfs/dbraw/zinc/64/20/22/987642022.db2.gz VPZXYJZGBGZUAT-CYDGBPFRSA-N 2 0 240.391 1.778 20 0 BDADRP C[C@@H]1CC(NCC[C@H]2CCCC[NH2+]2)C[C@@H](C)[NH2+]1 ZINC001246241971 987646554 /nfs/dbraw/zinc/64/65/54/987646554.db2.gz DHRPWRDOVPYMNW-JHJVBQTASA-N 2 0 239.407 1.637 20 0 BDADRP C[C@@H]([NH3+])c1ccn([C@@H]2CC[NH2+][C@H](C)C2)n1 ZINC001246249339 987649291 /nfs/dbraw/zinc/64/92/91/987649291.db2.gz OKWJOQQFGZOXOP-OPRDCNLKSA-N 2 0 208.309 1.216 20 0 BDADRP C[NH2+]C1CCC([NH2+]CC[C@H]2CCCC[NH2+]2)CC1 ZINC001246248005 987649692 /nfs/dbraw/zinc/64/96/92/987649692.db2.gz WSUFWOBIAGJRDZ-ROKHWSDSSA-N 3 0 239.407 1.639 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)C1CC[NH2+]CC1 ZINC001246249769 987650262 /nfs/dbraw/zinc/65/02/62/987650262.db2.gz JWYWPGBWRMTABB-NQBHXWOUSA-N 3 0 225.380 1.105 20 0 BDADRP CCCC[C@@H]1C[C@H](NCC(C)(C)C[NH3+])CC[NH2+]1 ZINC001246253488 987652826 /nfs/dbraw/zinc/65/28/26/987652826.db2.gz YSMLFWQYQSRZGB-CHWSQXEVSA-N 2 0 241.423 1.872 20 0 BDADRP CC(C)([NH3+])CCN[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246269931 987662725 /nfs/dbraw/zinc/66/27/25/987662725.db2.gz CISBGCJQVDALRH-NWDGAFQWSA-N 2 0 241.423 1.870 20 0 BDADRP C[C@H]1CC[C@@H]([NH2+]CC23CC[NH+](CC2)CC3)CN1 ZINC001246266845 987663405 /nfs/dbraw/zinc/66/34/05/987663405.db2.gz SGDTXLUBSPGNGT-QWHCGFSZSA-N 2 0 237.391 1.202 20 0 BDADRP C1CC([NH+]2CCC(N[C@H]3CCC[NH2+]C3)CC2)C1 ZINC001246276487 987668314 /nfs/dbraw/zinc/66/83/14/987668314.db2.gz LMRDBHQCXXLZTE-ZDUSSCGKSA-N 2 0 237.391 1.345 20 0 BDADRP CCNCC[NH2+][C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246274646 987668871 /nfs/dbraw/zinc/66/88/71/987668871.db2.gz YUMVPKSWZIBOFI-OLZOCXBDSA-N 2 0 225.380 1.108 20 0 BDADRP CCNCC[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246274025 987669753 /nfs/dbraw/zinc/66/97/53/987669753.db2.gz UOWJWVPUFUHQNJ-GFCCVEGCSA-N 2 0 225.380 1.108 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2(c3ccccn3)CC2)CC[NH2+]1 ZINC001246276032 987670758 /nfs/dbraw/zinc/67/07/58/987670758.db2.gz ALTKBRPTKLCVFR-OLZOCXBDSA-N 2 0 245.370 1.843 20 0 BDADRP C[C@H]1CC[C@H](NCC2([NH3+])CCCCC2)C[NH2+]1 ZINC001246278946 987672166 /nfs/dbraw/zinc/67/21/66/987672166.db2.gz KMRBLDMBYWJUBA-RYUDHWBXSA-N 2 0 225.380 1.378 20 0 BDADRP C[C@@H]1C[C@@H](NC[C@@H]([NH3+])c2ccccc2)CC[NH2+]1 ZINC001246278900 987672604 /nfs/dbraw/zinc/67/26/04/987672604.db2.gz JPNUKBQDRPGXQO-KWCYVHTRSA-N 2 0 233.359 1.417 20 0 BDADRP CCCC[C@@H]1C[C@H](N[C@H]2CC[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246278653 987672632 /nfs/dbraw/zinc/67/26/32/987672632.db2.gz LFLJSVXCGUNDHM-RFQIPJPRSA-N 2 0 239.407 1.767 20 0 BDADRP CC[C@H]1C[C@H](NC[C@@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001246290900 987682972 /nfs/dbraw/zinc/68/29/72/987682972.db2.gz ZOBLTYPNMXTAHL-XQQFMLRXSA-N 2 0 225.380 1.249 20 0 BDADRP COC(=O)C1CCC([NH2+]CC[C@H](C)[NH3+])CC1 ZINC001246303286 987699895 /nfs/dbraw/zinc/69/98/95/987699895.db2.gz GKUBFJOAXBSYAQ-WHXUTIOJSA-N 2 0 228.336 1.045 20 0 BDADRP CCCC[C@@H]1C[C@@H](NCC[C@@H](C)[NH3+])CC[NH2+]1 ZINC001246303349 987700353 /nfs/dbraw/zinc/70/03/53/987700353.db2.gz HNPSPSMMJSMMAP-UPJWGTAASA-N 2 0 227.396 1.624 20 0 BDADRP CCOC(=O)CCC[C@@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC001246303725 987700502 /nfs/dbraw/zinc/70/05/02/987700502.db2.gz IXGBLEWZPCVWRS-WDEREUQCSA-N 2 0 230.352 1.435 20 0 BDADRP C[C@@H]1CC[C@@H](N[C@H]2CNc3ccccc3C2)C[NH2+]1 ZINC001246303433 987701748 /nfs/dbraw/zinc/70/17/48/987701748.db2.gz HHDKUOIJIOVCCS-MRVWCRGKSA-N 2 0 245.370 1.753 20 0 BDADRP CCOC(=O)CC[C@@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC001246303903 987702291 /nfs/dbraw/zinc/70/22/91/987702291.db2.gz KFVDXOIYDRCBEX-VHSXEESVSA-N 2 0 216.325 1.045 20 0 BDADRP C[NH2+]C1CCC([NH2+]C[C@@H]([NH3+])CC(C)C)CC1 ZINC001246304739 987704148 /nfs/dbraw/zinc/70/41/48/987704148.db2.gz BCUCLHSCCRZVBG-HIFPTAJRSA-N 3 0 227.396 1.480 20 0 BDADRP CC[C@@H](C)OCC[C@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC001246307604 987706996 /nfs/dbraw/zinc/70/69/96/987706996.db2.gz ZEGOTGQZXCFGGU-SDDRHHMPSA-N 2 0 216.369 1.907 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC(=O)C2)CC[NH2+]1 ZINC001246308354 987709778 /nfs/dbraw/zinc/70/97/78/987709778.db2.gz PYWYGCUXPFRMAO-VWYCJHECSA-N 2 0 210.321 1.228 20 0 BDADRP CC[C@H]([NH3+])CN[C@@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246314079 987715708 /nfs/dbraw/zinc/71/57/08/987715708.db2.gz OJRCGEBXDJJDDX-QJPTWQEYSA-N 2 0 213.369 1.090 20 0 BDADRP CCCCOC(=O)CC[C@H](C)[NH2+]C[C@@H]([NH3+])CC ZINC001246311439 987711371 /nfs/dbraw/zinc/71/13/71/987711371.db2.gz CPRQAROPGZUPTN-RYUDHWBXSA-N 2 0 244.379 1.825 20 0 BDADRP C[C@H]1CC[C@H](n2cccc2CC[NH3+])C[NH2+]1 ZINC001246310899 987712011 /nfs/dbraw/zinc/71/20/11/987712011.db2.gz OMRBPIVLSYYWQV-JQWIXIFHSA-N 2 0 207.321 1.302 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@@H](C)Cc1ccccn1 ZINC001246312730 987714621 /nfs/dbraw/zinc/71/46/21/987714621.db2.gz HIZCFZFGURWTLU-WDEREUQCSA-N 2 0 207.321 1.340 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@H]1CCC[C@H](C(=O)OC)C1 ZINC001246312089 987714519 /nfs/dbraw/zinc/71/45/19/987714519.db2.gz FPOGXOITVCTBDU-DCAQKATOSA-N 2 0 228.336 1.045 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@H]1CCc2ncsc2C1 ZINC001246315748 987719033 /nfs/dbraw/zinc/71/90/33/987719033.db2.gz WALGUKLKOHREHR-BDAKNGLRSA-N 2 0 225.361 1.327 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+]C1CCC([NH+](C)C)CC1 ZINC001246316356 987721720 /nfs/dbraw/zinc/72/17/20/987721720.db2.gz ZBIOMUCQJMYSHR-VOMCLLRMSA-N 3 0 213.369 1.186 20 0 BDADRP CO[C@H](C)C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001474443040 987724218 /nfs/dbraw/zinc/72/42/18/987724218.db2.gz PHZZSILHCOUQBT-CHWSQXEVSA-N 2 0 244.379 1.112 20 0 BDADRP C[C@@H]1CC[C@@H](n2cnc3cccc(C[NH3+])c32)C[NH2+]1 ZINC001246320182 987725716 /nfs/dbraw/zinc/72/57/16/987725716.db2.gz HPORNTKXPMWFPS-ZYHUDNBSSA-N 2 0 244.342 1.808 20 0 BDADRP C[C@@H]1CC[C@H](Nc2cccnc2C[NH3+])C[NH2+]1 ZINC001246325754 987731424 /nfs/dbraw/zinc/73/14/24/987731424.db2.gz JILIYZBNOQZPNC-ZJUUUORDSA-N 2 0 220.320 1.093 20 0 BDADRP CC1(C)C[C@H](N[C@@H]2C[NH2+]CCC2(C)C)CC[NH2+]1 ZINC001246325224 987731750 /nfs/dbraw/zinc/73/17/50/987731750.db2.gz ITFNFWNBZJNEFQ-VXGBXAGGSA-N 2 0 239.407 1.495 20 0 BDADRP CC[C@@H]1C[C@H](NC[C@H](C)C[NH3+])C[C@H](CC)[NH2+]1 ZINC001246328771 987733796 /nfs/dbraw/zinc/73/37/96/987733796.db2.gz SGZUTAOYKUWEDD-NDBYEHHHSA-N 2 0 227.396 1.480 20 0 BDADRP C[C@@H]1C[C@@H](N2C[C@H](C[NH3+])c3ccccc32)CC[NH2+]1 ZINC001246329830 987735338 /nfs/dbraw/zinc/73/53/38/987735338.db2.gz XUOFNAMTINVNKR-AGIUHOORSA-N 2 0 245.370 1.689 20 0 BDADRP C[C@@H]1CC(N[C@H]2C[NH2+]CC[C@@H]2C)C[C@@H](C)[NH2+]1 ZINC001246331965 987737271 /nfs/dbraw/zinc/73/72/71/987737271.db2.gz PDVWIGAHNKASIH-WGBDABJCSA-N 2 0 225.380 1.103 20 0 BDADRP CCOC(=O)CC(C)(C)C[NH2+]C1CC[NH2+]CC1 ZINC001246330989 987739858 /nfs/dbraw/zinc/73/98/58/987739858.db2.gz APPMRHYJDLUBGK-UHFFFAOYSA-N 2 0 242.363 1.307 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H]2C[C@@H]3COC[C@@H]32)C1 ZINC001474499097 987742450 /nfs/dbraw/zinc/74/24/50/987742450.db2.gz KADGTLSJHGEVLN-CRWXNKLISA-N 2 0 238.375 1.341 20 0 BDADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246335605 987744891 /nfs/dbraw/zinc/74/48/91/987744891.db2.gz ZXTLRKBYARBBDH-CHWSQXEVSA-N 3 0 239.407 1.482 20 0 BDADRP C1[C@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C12CCCCC2 ZINC001246336626 987745726 /nfs/dbraw/zinc/74/57/26/987745726.db2.gz UZISYCIVFARGJP-OLZOCXBDSA-N 2 0 249.402 1.393 20 0 BDADRP C[C@H]1CC[C@H](NCC[NH+]2CCC(F)CC2)C[NH2+]1 ZINC001246342304 987753698 /nfs/dbraw/zinc/75/36/98/987753698.db2.gz RGILMEVJZXCEMH-AAEUAGOBSA-N 2 0 243.370 1.150 20 0 BDADRP CC(C)[C@@H]1C[C@H](N[C@@H](C[NH3+])C(C)(C)C)CC[NH2+]1 ZINC001246348269 987755662 /nfs/dbraw/zinc/75/56/62/987755662.db2.gz VOLQUGQCIQNFGJ-AGIUHOORSA-N 2 0 241.423 1.726 20 0 BDADRP CO[C@H](C)C[NH2+]CCCC[N@H+](C)C1CC1 ZINC001474566883 987761328 /nfs/dbraw/zinc/76/13/28/987761328.db2.gz STJQZYHZUNYFPL-LLVKDONJSA-N 2 0 214.353 1.485 20 0 BDADRP CCCC[C@H]1C[C@H](NC2(C[NH3+])CCC2)CC[NH2+]1 ZINC001246349665 987762072 /nfs/dbraw/zinc/76/20/72/987762072.db2.gz BXMWVYGTPXNFOO-QWHCGFSZSA-N 2 0 239.407 1.768 20 0 BDADRP Cc1noc2ccc(C[NH2+]C3CC[NH2+]CC3)cc12 ZINC001246356072 987764079 /nfs/dbraw/zinc/76/40/79/987764079.db2.gz SNFZARBKGRCDFE-UHFFFAOYSA-N 2 0 245.326 1.978 20 0 BDADRP C1CCC([N@@H+]2CC[C@@H](N[C@@H]3CCC[NH2+]C3)C2)C1 ZINC001246361484 987767451 /nfs/dbraw/zinc/76/74/51/987767451.db2.gz OOONUJKEAQHMRV-CHWSQXEVSA-N 2 0 237.391 1.345 20 0 BDADRP CCC(CC)[N@@H+]1CC[C@H](NC2CC[NH2+]CC2)C1 ZINC001246360705 987768532 /nfs/dbraw/zinc/76/85/32/987768532.db2.gz ILUAQHHUJMHZLV-ZDUSSCGKSA-N 2 0 239.407 1.591 20 0 BDADRP CCCC[C@@H]1C[C@H](N[C@H]2C[NH2+][C@H](C)C2)CC[NH2+]1 ZINC001246367110 987772199 /nfs/dbraw/zinc/77/21/99/987772199.db2.gz YUEVETRSPXGPIY-AAVRWANBSA-N 2 0 239.407 1.637 20 0 BDADRP C1[NH2+]CC12CCC([NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC001246380937 987777099 /nfs/dbraw/zinc/77/70/99/987777099.db2.gz ZYWTXUZYUXFMPB-PBWFPOADSA-N 3 0 249.402 1.391 20 0 BDADRP Cc1ccc(C2(C[NH2+]C3CC[NH2+]CC3)CC2)nc1 ZINC001246388058 987778067 /nfs/dbraw/zinc/77/80/67/987778067.db2.gz MUJHPYKRNGOYDE-UHFFFAOYSA-N 2 0 245.370 1.763 20 0 BDADRP CCCC1([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CCC1 ZINC001246390861 987779433 /nfs/dbraw/zinc/77/94/33/987779433.db2.gz ZSNDLZDGWRMDQW-GFCCVEGCSA-N 2 0 237.391 1.393 20 0 BDADRP C([NH2+][C@@H]1CC[NH2+]C1)C1(CC2CC2)CC[NH2+]CC1 ZINC001246383096 987779441 /nfs/dbraw/zinc/77/94/41/987779441.db2.gz CWYLBVXSAOCOIO-CYBMUJFWSA-N 3 0 237.391 1.108 20 0 BDADRP CC(C)(C[NH2+]C1CC[NH2+]CC1)Cc1ccncc1 ZINC001246400947 987782205 /nfs/dbraw/zinc/78/22/05/987782205.db2.gz PNPGIOHHHKERJC-UHFFFAOYSA-N 2 0 247.386 1.992 20 0 BDADRP [NH3+]CCN(c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001246405338 987787607 /nfs/dbraw/zinc/78/76/07/987787607.db2.gz KXKYUTJQVXNFGR-UHFFFAOYSA-N 2 0 237.322 1.343 20 0 BDADRP CCCC[C@H](CC)[NH2+]CCCC[C@H]([NH3+])C(N)=O ZINC001246418078 987792177 /nfs/dbraw/zinc/79/21/77/987792177.db2.gz QNCIOUBOGMVJRR-RYUDHWBXSA-N 2 0 243.395 1.528 20 0 BDADRP CC(C)CC[C@H](C)[NH2+]CCCC[C@H]([NH3+])C(N)=O ZINC001246420096 987796118 /nfs/dbraw/zinc/79/61/18/987796118.db2.gz WQZCXWWTNACEPX-RYUDHWBXSA-N 2 0 243.395 1.384 20 0 BDADRP Cc1cccnc1C1(CN[C@@H]2CCC[NH2+]C2)CC1 ZINC001246441113 987799431 /nfs/dbraw/zinc/79/94/31/987799431.db2.gz YOMAFFNFRZKBDO-CYBMUJFWSA-N 2 0 245.370 1.763 20 0 BDADRP Fc1ccc(C2(CN[C@H]3CCC[NH2+]C3)CC2)nc1 ZINC001246442425 987800696 /nfs/dbraw/zinc/80/06/96/987800696.db2.gz RWGULHUPHOPDIB-LBPRGKRZSA-N 2 0 249.333 1.594 20 0 BDADRP CC[C@@H]1CC(N[C@@H]2CC23C[NH2+]C3)C[C@@H](CC)[NH2+]1 ZINC001246444252 987802474 /nfs/dbraw/zinc/80/24/74/987802474.db2.gz JDLJVLVQOWGSMX-NQBHXWOUSA-N 2 0 237.391 1.247 20 0 BDADRP CC(C)OCC[C@H](C)[NH2+][C@H]1CC12C[NH2+]C2 ZINC001246444694 987803529 /nfs/dbraw/zinc/80/35/29/987803529.db2.gz KUFWNIUDQNPVFQ-QWRGUYRKSA-N 2 0 212.337 1.142 20 0 BDADRP CC[C@H](C)OCC[C@H](C)[NH2+][C@@H]1CC12C[NH2+]C2 ZINC001246443918 987803825 /nfs/dbraw/zinc/80/38/25/987803825.db2.gz IKBRLTHNCTYNKV-SDDRHHMPSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@H]1CC([NH2+][C@@H]2CC23C[NH2+]C3)C[C@H](C)C1 ZINC001246445555 987804211 /nfs/dbraw/zinc/80/42/11/987804211.db2.gz PAJNUHBTPZNBEY-CKYFFXLPSA-N 2 0 208.349 1.763 20 0 BDADRP CC(C)OC(=O)CC[C@H](C)[NH2+][C@@H]1CC12C[NH2+]C2 ZINC001246448502 987804886 /nfs/dbraw/zinc/80/48/86/987804886.db2.gz ZAOXAQCRSXODML-WDEREUQCSA-N 2 0 240.347 1.058 20 0 BDADRP Clc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CC13C[NH2+]C3)C2 ZINC001246447904 987806894 /nfs/dbraw/zinc/80/68/94/987806894.db2.gz XNMMGARKVMXWKA-QWHCGFSZSA-N 2 0 248.757 1.759 20 0 BDADRP Cc1ccc(C[C@@H](C)[NH2+][C@H]2CC23C[NH2+]C3)cc1 ZINC001246448392 987807223 /nfs/dbraw/zinc/80/72/23/987807223.db2.gz YHLVGCZMIFPSOK-OCCSQVGLSA-N 2 0 230.355 1.878 20 0 BDADRP CC(C)[NH2+]CC[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246453346 987808444 /nfs/dbraw/zinc/80/84/44/987808444.db2.gz NMMRDHXTYNRYDN-CYBMUJFWSA-N 3 0 239.407 1.496 20 0 BDADRP CC1(C)CC[C@@H]([NH2+]CCCNCCC[NH3+])C1 ZINC001246452639 987808861 /nfs/dbraw/zinc/80/88/61/987808861.db2.gz KVQXIOSGAGLEDM-GFCCVEGCSA-N 2 0 227.396 1.483 20 0 BDADRP C[C@H]1CCC[C@@H]([NH2+]CCCNCCC[NH3+])C1 ZINC001246453948 987809490 /nfs/dbraw/zinc/80/94/90/987809490.db2.gz RKEVRXKCCNEVTH-QWHCGFSZSA-N 2 0 227.396 1.483 20 0 BDADRP CCC[C@@]1(CN[C@@H](C)CC[NH2+]C)CC[NH2+]1 ZINC001246455125 987814358 /nfs/dbraw/zinc/81/43/58/987814358.db2.gz GWXXTFZJLISZEA-RYUDHWBXSA-N 2 0 213.369 1.106 20 0 BDADRP C[C@@]1([NH3+])C[C@H]([NH2+][C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246458499 987815448 /nfs/dbraw/zinc/81/54/48/987815448.db2.gz GTBJLIZATKUMDA-YIYPIFLZSA-N 3 0 237.391 1.378 20 0 BDADRP C[C@H]1C[C@H](Nc2ccc(C[NH3+])c(F)c2)CC[NH2+]1 ZINC001246461073 987819131 /nfs/dbraw/zinc/81/91/31/987819131.db2.gz BXQWWKTVKIEBQD-JOYOIKCWSA-N 2 0 237.322 1.837 20 0 BDADRP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H]([NH+](C)C)CC2)CC[NH2+]1 ZINC001246461444 987819861 /nfs/dbraw/zinc/81/98/61/987819861.db2.gz IXQHHNKHHIOLSG-IGQOVBAYSA-N 3 0 239.407 1.589 20 0 BDADRP CC[C@@H]1C[C@@H](N[C@H]2C[C@@](C)([NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246460767 987820548 /nfs/dbraw/zinc/82/05/48/987820548.db2.gz NCVUOHOASWTGHL-KYGRNUTJSA-N 2 0 239.407 1.765 20 0 BDADRP C[C@H]1CC[C@@H](Nc2ccc(C[NH3+])c(F)c2)C[NH2+]1 ZINC001246465360 987823460 /nfs/dbraw/zinc/82/34/60/987823460.db2.gz WTOHVDZYIZJHGD-JOYOIKCWSA-N 2 0 237.322 1.837 20 0 BDADRP C[C@@H]1CC([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)C[C@@H](C)O1 ZINC001246478194 987834623 /nfs/dbraw/zinc/83/46/23/987834623.db2.gz UQUMOPUPRVCIGZ-DCQANWLSSA-N 2 0 244.354 1.480 20 0 BDADRP [NH3+]C[C@@H]1Cc2ccccc2CN1C1CC[NH2+]CC1 ZINC001246480028 987836829 /nfs/dbraw/zinc/83/68/29/987836829.db2.gz UXUMQZWFQZPOBH-HNNXBMFYSA-N 2 0 245.370 1.124 20 0 BDADRP CC(C)OCC[C@@H](C)[NH2+]C[C@@H]1CC[NH2+]C[C@@H]1F ZINC001246478239 987837278 /nfs/dbraw/zinc/83/72/78/987837278.db2.gz VODNKQZUGVSYHA-AGIUHOORSA-N 2 0 246.370 1.727 20 0 BDADRP CCOCC[C@@H](C)[NH2+][C@H]1CCCC[C@H]1[NH3+] ZINC001246478541 987837339 /nfs/dbraw/zinc/83/73/39/987837339.db2.gz PHNBUHKALQXMHN-UTUOFQBUSA-N 2 0 214.353 1.661 20 0 BDADRP [NH3+]CCC[C@H]1CCCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001246494044 987847824 /nfs/dbraw/zinc/84/78/24/987847824.db2.gz BWMWZHXJWMBMLO-CYBMUJFWSA-N 3 0 239.407 1.579 20 0 BDADRP [NH3+]CCC[C@@H]1CCCCN([C@H]2CCC[NH2+]C2)C1 ZINC001246495052 987849950 /nfs/dbraw/zinc/84/99/50/987849950.db2.gz FBQSUIMQEBCPCO-KBPBESRZSA-N 2 0 239.407 1.579 20 0 BDADRP C[NH2+][C@H]1C[C@@H](N[C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)C1 ZINC001246494144 987850882 /nfs/dbraw/zinc/85/08/82/987850882.db2.gz FFWHMGLNKABFJJ-FVCCEPFGSA-N 2 0 239.407 1.493 20 0 BDADRP COC(=O)[C@H]1CC[C@H]([NH2+][C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246499420 987853027 /nfs/dbraw/zinc/85/30/27/987853027.db2.gz YDLHFUPTYDIEFY-BJDJZHNGSA-N 2 0 240.347 1.058 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)C1CC[NH2+]CC1 ZINC001246498895 987854566 /nfs/dbraw/zinc/85/45/66/987854566.db2.gz JWYWPGBWRMTABB-LOWVWBTDSA-N 3 0 225.380 1.105 20 0 BDADRP CCCC[C@H]1C[C@@H](NC23CC([NH3+])(C2)C3)CC[NH2+]1 ZINC001246505268 987858402 /nfs/dbraw/zinc/85/84/02/987858402.db2.gz SGQBAQDLKLUGTN-FEPKRQSRSA-N 2 0 237.391 1.521 20 0 BDADRP C[C@H]1C[C@@H](N[C@H](C[NH3+])c2ccccc2)C[NH2+]1 ZINC001246506731 987858759 /nfs/dbraw/zinc/85/87/59/987858759.db2.gz JKEFVYGXBQDUCC-CYZMBNFOSA-N 2 0 219.332 1.026 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)c2ccccc2)CC[NH2+]1 ZINC001246506131 987859937 /nfs/dbraw/zinc/85/99/37/987859937.db2.gz VQDLVXDLCCDSOO-SNPRPXQTSA-N 2 0 248.370 1.493 20 0 BDADRP COc1cccc([C@@H](C[NH3+])N[C@H]2CCC[NH2+]C2)c1 ZINC001246507321 987861164 /nfs/dbraw/zinc/86/11/64/987861164.db2.gz ASVVFGCMSNONIF-GXTWGEPZSA-N 2 0 249.358 1.037 20 0 BDADRP CC(C)(C)[C@H]1C[C@@H](NCC2([NH3+])CCC2)CC[NH2+]1 ZINC001246510983 987862003 /nfs/dbraw/zinc/86/20/03/987862003.db2.gz OFTGCSWXEJYCNP-NWDGAFQWSA-N 2 0 239.407 1.624 20 0 BDADRP CO[C@H]1CC[C@@H]([NH2+][C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246513112 987863453 /nfs/dbraw/zinc/86/34/53/987863453.db2.gz GHLXCWWKQWSZAE-NDBYEHHHSA-N 2 0 226.364 1.674 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@]2(C)CCCOC2)CC[NH2+]1 ZINC001246511777 987863722 /nfs/dbraw/zinc/86/37/22/987863722.db2.gz RRXYHFOAHIDQBU-IJLUTSLNSA-N 2 0 212.337 1.286 20 0 BDADRP CC[NH+](CC)CCN(C)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246519564 987864859 /nfs/dbraw/zinc/86/48/59/987864859.db2.gz CFXGITMYMIWLER-OLZOCXBDSA-N 2 0 227.396 1.401 20 0 BDADRP CC(C)[C@H]1C[C@H](N2CCC[NH2+]CC2)CC[NH2+]1 ZINC001246521859 987873116 /nfs/dbraw/zinc/87/31/16/987873116.db2.gz BEAMJDWQHKCQGY-CHWSQXEVSA-N 2 0 225.380 1.058 20 0 BDADRP CC[C@@H]1C[C@H](N(C)CC[NH3+])C[C@H](CC)[NH2+]1 ZINC001246523446 987873190 /nfs/dbraw/zinc/87/31/90/987873190.db2.gz GBECCVJEQHBZNW-GDNZZTSVSA-N 2 0 213.369 1.186 20 0 BDADRP C[NH2+]CCN(C)[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246525555 987877923 /nfs/dbraw/zinc/87/79/23/987877923.db2.gz YOSMYFXJKYDUCU-STQMWFEESA-N 2 0 225.380 1.060 20 0 BDADRP C[NH2+]C1CN([C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC001246526862 987878815 /nfs/dbraw/zinc/87/88/15/987878815.db2.gz KAFFSYRFPRBCCZ-CABCVRRESA-N 2 0 245.370 1.383 20 0 BDADRP C1CC2(C[C@H]1[N@@H+]1CCCNCC1)CC[NH2+]CC2 ZINC001246526415 987880468 /nfs/dbraw/zinc/88/04/68/987880468.db2.gz WSLMCGAUGADFJW-ZDUSSCGKSA-N 2 0 237.391 1.204 20 0 BDADRP C[N@H+](CCN)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246528238 987881346 /nfs/dbraw/zinc/88/13/46/987881346.db2.gz OYDVGQFLSNSJDI-UHFFFAOYSA-N 2 0 225.380 1.189 20 0 BDADRP C1C[NH2+]CC2(C1)CCC(N1CC[NH2+]CC1)CC2 ZINC001246530826 987886328 /nfs/dbraw/zinc/88/63/28/987886328.db2.gz QFGAWGUSPGDLOJ-UHFFFAOYSA-N 2 0 237.391 1.204 20 0 BDADRP C1CC2(C1)CCC[C@@H]2[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246532525 987889718 /nfs/dbraw/zinc/88/97/18/987889718.db2.gz RIDGTEZYFUXRMR-OLZOCXBDSA-N 2 0 249.402 1.393 20 0 BDADRP CC1(C)[C@@H]2C[C@H]([N@@H+]3CC[C@@](C)([NH3+])C3)C[C@@H]21 ZINC001246532808 987890156 /nfs/dbraw/zinc/89/01/56/987890156.db2.gz YJBSGXRRLURASC-LSCVPOLPSA-N 2 0 208.349 1.844 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@@](C)([NH3+])C1)C2 ZINC001246531696 987890925 /nfs/dbraw/zinc/89/09/25/987890925.db2.gz SHDATTLVWABENG-MROQNXINSA-N 2 0 223.364 1.035 20 0 BDADRP CC[C@@H]1C[C@H](N2CC[C@@](C)([NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246531678 987890945 /nfs/dbraw/zinc/89/09/45/987890945.db2.gz RSRICGLSDDVRAU-ZOBORPQBSA-N 2 0 239.407 1.719 20 0 BDADRP CC1(C)[C@@H]2C[C@@H]([N@@H+]3CC[C@@](C)([NH3+])C3)C[C@@H]21 ZINC001246532798 987892073 /nfs/dbraw/zinc/89/20/73/987892073.db2.gz YJBSGXRRLURASC-HNCHTBHHSA-N 2 0 208.349 1.844 20 0 BDADRP N[C@@H]1C[N@@H+]([C@H]2CCC[C@]3(CC[NH2+]C3)C2)CC12CC2 ZINC001246535041 987893229 /nfs/dbraw/zinc/89/32/29/987893229.db2.gz UZGZGYUIIVYCBU-MJBXVCDLSA-N 2 0 249.402 1.332 20 0 BDADRP CC[C@@H]1CC(N2C[C@H]([NH3+])[C@@H](F)C2)C[C@@H](CC)[NH2+]1 ZINC001246534758 987894618 /nfs/dbraw/zinc/89/46/18/987894618.db2.gz SYSWMJVBUCOKQH-AAXDQBDMSA-N 2 0 243.370 1.277 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC001246538447 987897620 /nfs/dbraw/zinc/89/76/20/987897620.db2.gz OXQCAKGTAYYART-CYBMUJFWSA-N 3 0 241.423 1.778 20 0 BDADRP CCSC[C@@H](C)[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001246538305 987899370 /nfs/dbraw/zinc/89/93/70/987899370.db2.gz AWMZEIWFYBJBRI-MNOVXSKESA-N 2 0 216.394 1.941 20 0 BDADRP CCOC(=O)CC[C@@H](C)[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246539205 987900918 /nfs/dbraw/zinc/90/09/18/987900918.db2.gz CNRODPLDRFNTPW-VXGBXAGGSA-N 2 0 242.363 1.531 20 0 BDADRP C[C@@H]1CC(N2CCC[C@@](C)([NH3+])C2)C[C@@H](C)[NH2+]1 ZINC001246540212 987903746 /nfs/dbraw/zinc/90/37/46/987903746.db2.gz LYJVMSJUXLBOIA-NQBHXWOUSA-N 2 0 225.380 1.329 20 0 BDADRP [NH3+][C@@H]1CCCN([C@@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC001246539942 987905148 /nfs/dbraw/zinc/90/51/48/987905148.db2.gz JBYGNDFUGJQPSW-CHWSQXEVSA-N 2 0 237.391 1.474 20 0 BDADRP CC1(C)C[C@H](N2CCC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246540112 987905520 /nfs/dbraw/zinc/90/55/20/987905520.db2.gz FOFMFTPCMRAPPR-NWDGAFQWSA-N 2 0 225.380 1.330 20 0 BDADRP C[C@H]1C[N@@H+](C2CCC3(C[NH2+]C3)CC2)C[C@H]1C[NH3+] ZINC001246539245 987905605 /nfs/dbraw/zinc/90/56/05/987905605.db2.gz GEZHKPGZCYOQKU-NWDGAFQWSA-N 3 0 237.391 1.045 20 0 BDADRP C[C@H]1C[N@@H+]([C@@H]2CCCOCC2)C[C@H]1C[NH3+] ZINC001246543044 987909562 /nfs/dbraw/zinc/90/95/62/987909562.db2.gz RPRFFDZQBPLRMV-QJPTWQEYSA-N 2 0 212.337 1.082 20 0 BDADRP CO[C@@H]1CCC[C@@H]([N@@H+]2CC[C@@H]([NH3+])[C@H]2C)C1 ZINC001246541331 987913554 /nfs/dbraw/zinc/91/35/54/987913554.db2.gz GPSUYIVVVBSXFX-DDHJBXDOSA-N 2 0 212.337 1.366 20 0 BDADRP CCC[C@H](CC)[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246541925 987913866 /nfs/dbraw/zinc/91/38/66/987913866.db2.gz HRABNCKTGFPSKG-QWHCGFSZSA-N 2 0 228.380 1.741 20 0 BDADRP CC1(C)C[C@@H](N2CCCC[C@@H]2C[NH3+])CC[NH2+]1 ZINC001246544430 987918627 /nfs/dbraw/zinc/91/86/27/987918627.db2.gz VYMQMGKCJTVFFD-NWDGAFQWSA-N 2 0 225.380 1.330 20 0 BDADRP COC(=O)CC[C@@H](C)[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246544924 987922591 /nfs/dbraw/zinc/92/25/91/987922591.db2.gz IGSXLCNXVBQSCO-GHMZBOCLSA-N 2 0 228.336 1.141 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246544837 987923251 /nfs/dbraw/zinc/92/32/51/987923251.db2.gz ZSSZPCQUGAFDPD-MELADBBJSA-N 2 0 241.423 1.633 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N2CC[NH2+]CC[C@H]2C)CC[NH2+]1 ZINC001246547039 987931379 /nfs/dbraw/zinc/93/13/79/987931379.db2.gz AJTANPLYLPLSAV-RDBSUJKOSA-N 2 0 239.407 1.447 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCN1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001246550642 987943154 /nfs/dbraw/zinc/94/31/54/987943154.db2.gz QSNJGMJFNGQVTQ-NAWOPXAZSA-N 2 0 223.364 1.033 20 0 BDADRP [NH3+]C[C@@]1(F)CCC[N@@H+]([C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001246552268 987955314 /nfs/dbraw/zinc/95/53/14/987955314.db2.gz UCFHMUDHFZYGJG-MROQNXINSA-N 2 0 226.339 1.938 20 0 BDADRP C[C@@H]1CC[C@H](CN)[N@@H+]([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC001246555695 987967805 /nfs/dbraw/zinc/96/78/05/987967805.db2.gz HOMBRQIFRRRMOS-RGDJUOJXSA-N 2 0 237.391 1.044 20 0 BDADRP C[C@@H]1CC[C@H](N2CCC[C@](C)([NH3+])CC2)C[NH2+]1 ZINC001246556436 987970336 /nfs/dbraw/zinc/97/03/36/987970336.db2.gz ZVWOONKMMCYDHM-AGIUHOORSA-N 2 0 225.380 1.330 20 0 BDADRP C[C@@H]1C[N@@H+]([C@H]2CCC[C@]3(CC[NH2+]C3)C2)C[C@H]1N ZINC001246559812 987984669 /nfs/dbraw/zinc/98/46/69/987984669.db2.gz FBRJKWPLMSXIGB-RQJABVFESA-N 2 0 237.391 1.188 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2CC[C@@H](C)[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246561125 987991041 /nfs/dbraw/zinc/99/10/41/987991041.db2.gz IMXOAWOXLUTLCW-SYQHCUMBSA-N 2 0 239.407 1.432 20 0 BDADRP CCC[C@H](C)CC[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246561537 987992915 /nfs/dbraw/zinc/99/29/15/987992915.db2.gz VPRROJAWHZFXBC-REWJHTLYSA-N 2 0 242.407 1.985 20 0 BDADRP [NH3+][C@@H]1CC[N@@H+](C2CCC3(CC3)CC2)C[C@H]1O ZINC001246562228 988009269 /nfs/dbraw/zinc/00/92/69/988009269.db2.gz XBDQDNRPVYVPFZ-VXGBXAGGSA-N 2 0 224.348 1.103 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2C[C@H](CO)CC[C@H]2C)CC[NH2+]1 ZINC001246563231 988009478 /nfs/dbraw/zinc/00/94/78/988009478.db2.gz CJCGOLYJTHVKLM-LPWJVIDDSA-N 2 0 226.364 1.220 20 0 BDADRP C[C@@H]1C[N@@H+]([C@H]2CCSC2)CCC[C@@H]1C[NH3+] ZINC001246563997 988011781 /nfs/dbraw/zinc/01/17/81/988011781.db2.gz DOTMTCXXTDMRRH-UTUOFQBUSA-N 2 0 228.405 1.799 20 0 BDADRP [NH3+]C[C@@]1(O)CCCC[N@@H+](C2CCCCC2)C1 ZINC001246565723 988012554 /nfs/dbraw/zinc/01/25/54/988012554.db2.gz ZJTKWPZUIYOTCX-ZDUSSCGKSA-N 2 0 226.364 1.495 20 0 BDADRP C[C@@H]1C[C@@H](N2CCC[C@H](C[NH3+])[C@H]2C)CC[NH2+]1 ZINC001246564360 988013690 /nfs/dbraw/zinc/01/36/90/988013690.db2.gz NBMJRJWIRBNIRX-LPWJVIDDSA-N 3 0 225.380 1.186 20 0 BDADRP C[C@@H]1C[N@@H+]([C@H]2COC(C)(C)C2)CCC[C@H]1C[NH3+] ZINC001246564494 988018028 /nfs/dbraw/zinc/01/80/28/988018028.db2.gz XHXDAEVQWMTHBR-FRRDWIJNSA-N 2 0 240.391 1.861 20 0 BDADRP Cc1n[nH]c(=O)c(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1C ZINC001118118276 988018071 /nfs/dbraw/zinc/01/80/71/988018071.db2.gz FAQBVHVWSDJPKX-SFYZADRCSA-N 2 0 238.335 1.014 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)CCO1 ZINC001246569081 988045888 /nfs/dbraw/zinc/04/58/88/988045888.db2.gz PTRAUMDBKGXJLQ-YIYPIFLZSA-N 2 0 240.391 1.861 20 0 BDADRP C1[NH2+]CC12C[C@H]([N@H+]1C[C@@H]3CCCC[C@@H]3C1)CCN2 ZINC001246571015 988052255 /nfs/dbraw/zinc/05/22/55/988052255.db2.gz JRXIIDJVGGWVAL-HZSPNIEDSA-N 2 0 249.402 1.202 20 0 BDADRP C[C@]1(CF)CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246572118 988057113 /nfs/dbraw/zinc/05/71/13/988057113.db2.gz DJPNYJFOMQDECP-ZGVCCVRISA-N 2 0 226.339 1.951 20 0 BDADRP CC[C@@H]1C[C@H](N2C[C@@H]([NH3+])CC(F)(F)C2)CC[NH2+]1 ZINC001246572044 988058237 /nfs/dbraw/zinc/05/82/37/988058237.db2.gz JTFJEXZWOWAQSJ-HBNTYKKESA-N 2 0 247.333 1.185 20 0 BDADRP CC[N@@H+]1CC[C@H](N2CCCC[C@@](F)(C[NH3+])C2)C1 ZINC001246574114 988068212 /nfs/dbraw/zinc/06/82/12/988068212.db2.gz DCFKPTCTIFLUAG-QWHCGFSZSA-N 2 0 243.370 1.234 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2C[C@H]([NH3+])C[C@H](F)C2)CC[NH2+]1 ZINC001246574733 988068590 /nfs/dbraw/zinc/06/85/90/988068590.db2.gz KJNYYUJOGUQFCF-LOWDOPEQSA-N 2 0 243.370 1.134 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)CC[NH2+]1 ZINC001246573789 988071721 /nfs/dbraw/zinc/07/17/21/988071721.db2.gz ZDMFORNRHUWJSW-RFQIPJPRSA-N 3 0 239.407 1.434 20 0 BDADRP CN1CCC[C@H]([N@@H+]2CCC[C@@](C)(C[NH3+])CC2)C1 ZINC001246576642 988086429 /nfs/dbraw/zinc/08/64/29/988086429.db2.gz MDNKOGGKLONKPD-UONOGXRCSA-N 2 0 239.407 1.532 20 0 BDADRP C[NH2+]CC[C@H](C)N1CCCC[C@](C)(C[NH3+])C1 ZINC001246581812 988110581 /nfs/dbraw/zinc/11/05/81/988110581.db2.gz AWYDUGSFPZHHNA-QWHCGFSZSA-N 2 0 227.396 1.435 20 0 BDADRP C[NH2+]CC[C@@H](C)N1CCCC[C@](C)(C[NH3+])C1 ZINC001246581809 988114867 /nfs/dbraw/zinc/11/48/67/988114867.db2.gz AWYDUGSFPZHHNA-CHWSQXEVSA-N 2 0 227.396 1.435 20 0 BDADRP CCCC[C@@H](CCC)[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246583827 988125102 /nfs/dbraw/zinc/12/51/02/988125102.db2.gz KYJKZKLLFAPHQF-XQQFMLRXSA-N 2 0 228.380 1.597 20 0 BDADRP C[C@]1(C[NH3+])CCCCN([C@H]2CCC[NH2+]CC2)C1 ZINC001246583247 988128936 /nfs/dbraw/zinc/12/89/36/988128936.db2.gz IXHRLMQUDMXJRS-UONOGXRCSA-N 2 0 239.407 1.579 20 0 BDADRP [NH3+]C[C@]1(F)CCCCN([C@@H]2CCCC[NH2+]C2)C1 ZINC001246584684 988135373 /nfs/dbraw/zinc/13/53/73/988135373.db2.gz YLEHRPWIZKWYMH-CHWSQXEVSA-N 2 0 243.370 1.281 20 0 BDADRP CCCC1CC[NH+](C[C@@](C)(O)C[NH2+]C)CC1 ZINC001118251030 988151366 /nfs/dbraw/zinc/15/13/66/988151366.db2.gz DTOBTMNWWPCAPP-ZDUSSCGKSA-N 2 0 228.380 1.469 20 0 BDADRP CC1(C[NH3+])C[NH+]([C@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246587925 988151799 /nfs/dbraw/zinc/15/17/99/988151799.db2.gz AQFFCRDRSLIFMV-LBPRGKRZSA-N 3 0 237.391 1.189 20 0 BDADRP [NH3+][C@@H]1C[C@@H](F)CN([C@@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC001246589340 988152442 /nfs/dbraw/zinc/15/24/42/988152442.db2.gz ZPOAGNJLBSZGFM-IJLUTSLNSA-N 2 0 241.354 1.032 20 0 BDADRP c1cc(NCCCC[NH+]2CCOCC2)cc[nH+]1 ZINC001322235457 988166528 /nfs/dbraw/zinc/16/65/28/988166528.db2.gz IZPLWOFGEWYQJY-UHFFFAOYSA-N 2 0 235.331 1.028 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH3+])CN1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246590047 988167068 /nfs/dbraw/zinc/16/70/68/988167068.db2.gz HWZNFPZPHMWWJA-ZBBUEOHVSA-N 2 0 237.391 1.329 20 0 BDADRP CC1(C)C[N@H+]([C@@H]2CCC[NH2+]C2)[C@@](C)(CO)C1 ZINC001246591672 988177353 /nfs/dbraw/zinc/17/73/53/988177353.db2.gz WWDLVOAPPWQKKN-DGCLKSJQSA-N 2 0 226.364 1.221 20 0 BDADRP CC[C@@H]1C[C@H](N2CC(C)(C[NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246592338 988178568 /nfs/dbraw/zinc/17/85/68/988178568.db2.gz ZHVIYBJQJDCWGJ-ITGUQSILSA-N 2 0 239.407 1.576 20 0 BDADRP [NH3+]C[C@H]1CCCCN([C@H]2CCCC[NH2+]C2)C1 ZINC001246595196 988187347 /nfs/dbraw/zinc/18/73/47/988187347.db2.gz SCFGWJYYUHBULC-OLZOCXBDSA-N 2 0 225.380 1.189 20 0 BDADRP CC(C)N(C1CC[NH2+]CC1)[C@@H]1CCC[NH2+]CC1 ZINC001246596040 988198044 /nfs/dbraw/zinc/19/80/44/988198044.db2.gz UXDOSQMKZNWXIN-CYBMUJFWSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H]1CC[C@@H](N2CCCC[C@@H](C[NH3+])C2)C[NH2+]1 ZINC001246597254 988200602 /nfs/dbraw/zinc/20/06/02/988200602.db2.gz WXPXBMRMBMGCJC-FRRDWIJNSA-N 2 0 225.380 1.188 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N1CC(C)(C[NH3+])C1 ZINC001246599883 988210144 /nfs/dbraw/zinc/21/01/44/988210144.db2.gz RMQODIRXYQSAJC-LBPRGKRZSA-N 2 0 227.396 1.387 20 0 BDADRP C[C@@H]1C[C@@H](N2CCC3(CC([NH3+])C3)CC2)CC[NH2+]1 ZINC001246603878 988218284 /nfs/dbraw/zinc/21/82/84/988218284.db2.gz PALRBBWQXYWBPS-YPMHNXCESA-N 2 0 237.391 1.330 20 0 BDADRP C1C[N@H+]([C@@H]2CCCOCC2)[C@@]2(C1)CCC[NH2+]C2 ZINC001246606324 988225041 /nfs/dbraw/zinc/22/50/41/988225041.db2.gz DSKHWVQDVGCRCY-ZIAGYGMSSA-N 2 0 238.375 1.774 20 0 BDADRP CCC[C@@H](C)[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246607700 988225805 /nfs/dbraw/zinc/22/58/05/988225805.db2.gz WSQYHYFRQOSLDZ-GFCCVEGCSA-N 2 0 225.380 1.202 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CC[C@@]3(CCCO3)C2)CC[NH2+]1 ZINC001246606568 988228574 /nfs/dbraw/zinc/22/85/74/988228574.db2.gz NBLXUWXPZWFEPT-UPJWGTAASA-N 2 0 224.348 1.382 20 0 BDADRP C1CN([C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@]2(C1)CCC[NH2+]C2 ZINC001246612872 988237437 /nfs/dbraw/zinc/23/74/37/988237437.db2.gz XQPPPEOTPIVFTQ-YJNKXOJESA-N 2 0 249.402 1.487 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CC[C@]3(C2)CCCCO3)CC[NH2+]1 ZINC001246616248 988248039 /nfs/dbraw/zinc/24/80/39/988248039.db2.gz AKEKWACCMHHPTQ-MCIONIFRSA-N 2 0 238.375 1.772 20 0 BDADRP C1CCC([N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)CC1 ZINC001246617498 988249756 /nfs/dbraw/zinc/24/97/56/988249756.db2.gz GOCDELROLSNSIE-KBPBESRZSA-N 2 0 237.391 1.345 20 0 BDADRP C[C@@H]1CC([NH+]2CCC(F)(C[NH3+])CC2)C[C@@H](C)[NH2+]1 ZINC001246616403 988261028 /nfs/dbraw/zinc/26/10/28/988261028.db2.gz BNOWKHBFQFOIGR-GHMZBOCLSA-N 3 0 243.370 1.278 20 0 BDADRP C[NH2+]CC[C@H](C)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001246624753 988261833 /nfs/dbraw/zinc/26/18/33/988261833.db2.gz RUTIGDQFFCJWGX-STQMWFEESA-N 2 0 225.380 1.202 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH+]2CCC(F)(C[NH3+])CC2)C1 ZINC001246622201 988270907 /nfs/dbraw/zinc/27/09/07/988270907.db2.gz YBILQQJFCXISON-VXGBXAGGSA-N 2 0 244.354 1.707 20 0 BDADRP CC(C)[C@H]1C[C@H](N2CC[NH2+]CC23CC3)CC[NH2+]1 ZINC001246626941 988300037 /nfs/dbraw/zinc/30/00/37/988300037.db2.gz UISGASWOJMMWAQ-CHWSQXEVSA-N 2 0 237.391 1.201 20 0 BDADRP C[C@@H]1CC(N2CCCCC23C[NH2+]C3)C[C@@H](C)[NH2+]1 ZINC001246640065 988343251 /nfs/dbraw/zinc/34/32/51/988343251.db2.gz AWTQQRUITFBEHQ-VXGBXAGGSA-N 2 0 237.391 1.343 20 0 BDADRP CC1(C)CC[C@H]([N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246642712 988350735 /nfs/dbraw/zinc/35/07/35/988350735.db2.gz NELSKEBUPXFJOK-GXTWGEPZSA-N 2 0 237.391 1.202 20 0 BDADRP C1C[C@]2(C[NH2+]1)CCC[C@H]([N@@H+]1CC[C@H]3C[NH2+]C[C@H]31)C2 ZINC001246647386 988363559 /nfs/dbraw/zinc/36/35/59/988363559.db2.gz SQIVFLPLKSHTEL-BYNSBNAKSA-N 3 0 249.402 1.202 20 0 BDADRP CCC[NH2+]CC[C@@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001497269032 988369074 /nfs/dbraw/zinc/36/90/74/988369074.db2.gz SUECAZSZMROWEY-NEPJUHHUSA-N 2 0 243.395 1.221 20 0 BDADRP C[C@@H]1CC[C@@H](N2CCCC23CC[NH2+]CC3)C[NH2+]1 ZINC001246652041 988375831 /nfs/dbraw/zinc/37/58/31/988375831.db2.gz HIBJMVOTNVGNNP-CHWSQXEVSA-N 2 0 237.391 1.345 20 0 BDADRP CC[C@@H]1C[C@H](N2C[C@H]3CCC[NH2+][C@H]3C2)CC[NH2+]1 ZINC001246655266 988378769 /nfs/dbraw/zinc/37/87/69/988378769.db2.gz GZOYPQGPNUKZBL-SYQHCUMBSA-N 2 0 237.391 1.201 20 0 BDADRP C1[NH2+]CC12C[C@H]([N@@H+]1CC[C@H]3CCC[C@@H]3C1)CCN2 ZINC001246655839 988387270 /nfs/dbraw/zinc/38/72/70/988387270.db2.gz LQBYEQZQJNVWLN-MGPQQGTHSA-N 2 0 249.402 1.202 20 0 BDADRP CC[C@@H]1CC([N@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)C[C@@H](CC)[NH2+]1 ZINC001246661518 988397162 /nfs/dbraw/zinc/39/71/62/988397162.db2.gz YBSKBUWEFQOCLM-SFYZRTLMSA-N 3 0 237.391 1.185 20 0 BDADRP C1N(C2CCC3(CC[NH2+]C3)CC2)CC12CCC[NH2+]2 ZINC001246662687 988399138 /nfs/dbraw/zinc/39/91/38/988399138.db2.gz AVDBVYKOGRRRMP-UHFFFAOYSA-N 2 0 249.402 1.347 20 0 BDADRP CC[C@H]1CC([N@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246661514 988400246 /nfs/dbraw/zinc/40/02/46/988400246.db2.gz YBSKBUWEFQOCLM-GOCOPAARSA-N 3 0 237.391 1.185 20 0 BDADRP CC[C@H]1C[C@H](N2CC[NH2+][C@H](C(C)C)C2)CC[NH2+]1 ZINC001246684572 988430495 /nfs/dbraw/zinc/43/04/95/988430495.db2.gz HLTPCHMYYYGNBI-MJBXVCDLSA-N 2 0 239.407 1.447 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2C[C@H](C)[NH2+]C[C@H]2C)CC[NH2+]1 ZINC001246687655 988434704 /nfs/dbraw/zinc/43/47/04/988434704.db2.gz CDESFGKOMOVWOY-DGAVXFQQSA-N 2 0 239.407 1.445 20 0 BDADRP CC(C)[C@H]1C[C@H](N2C[C@H](C)[NH2+]C[C@H]2C)CC[NH2+]1 ZINC001246687656 988435824 /nfs/dbraw/zinc/43/58/24/988435824.db2.gz CDESFGKOMOVWOY-REWJHTLYSA-N 2 0 239.407 1.445 20 0 BDADRP CC(C)[C@@H]1C[N@@H+]([C@@H]2CCC3(C[NH2+]C3)C2)CCN1 ZINC001246689241 988437070 /nfs/dbraw/zinc/43/70/70/988437070.db2.gz ZLTBUAJWGCRXJU-OLZOCXBDSA-N 2 0 237.391 1.058 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N2C[C@H](C)[NH2+]C[C@H]2C)CC[NH2+]1 ZINC001246687654 988438149 /nfs/dbraw/zinc/43/81/49/988438149.db2.gz CDESFGKOMOVWOY-CRWXNKLISA-N 2 0 239.407 1.445 20 0 BDADRP CC(C)[C@@H]1CNCC[N@@H+]1[C@@H]1CCC2(C[NH2+]C2)C1 ZINC001246695049 988443101 /nfs/dbraw/zinc/44/31/01/988443101.db2.gz LERDITXLJCBNMB-OLZOCXBDSA-N 2 0 237.391 1.058 20 0 BDADRP c1ccc([C@@H]2CCC[N@@H+]2C2CC[NH2+]CC2)nc1 ZINC001246790900 988468983 /nfs/dbraw/zinc/46/89/83/988468983.db2.gz OKYRHUFJVDGRIX-AWEZNQCLSA-N 2 0 231.343 1.971 20 0 BDADRP C[C@H]1C[C@H]([N@H+](C)CCC2CC[NH2+]CC2)CC[NH2+]1 ZINC001246793772 988472197 /nfs/dbraw/zinc/47/21/97/988472197.db2.gz DMPHEEIGHIPEKT-GXTWGEPZSA-N 3 0 239.407 1.448 20 0 BDADRP C[C@H]1C[C@@H](N2CCC[C@H]2C[NH+](C)C)CC[NH2+]1 ZINC001246798194 988477804 /nfs/dbraw/zinc/47/78/04/988477804.db2.gz SQPXXIPXQKMVCW-AVGNSLFASA-N 2 0 225.380 1.153 20 0 BDADRP CC[C@@H]1C[NH2+]CCN1[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246801603 988480750 /nfs/dbraw/zinc/48/07/50/988480750.db2.gz GHPXSDHCHIAPFV-VXGBXAGGSA-N 2 0 225.380 1.201 20 0 BDADRP CC(C)[C@H]1C[C@H](N2CC[NH2+]CC2(C)C)CC[NH2+]1 ZINC001246809985 988489428 /nfs/dbraw/zinc/48/94/28/988489428.db2.gz LHPGKERPJTXYDZ-CHWSQXEVSA-N 2 0 239.407 1.447 20 0 BDADRP CCCC[C@H]1C[C@@H](N2CC[C@@H]([NH2+]C)C2)CC[NH2+]1 ZINC001246813467 988497025 /nfs/dbraw/zinc/49/70/25/988497025.db2.gz LZOGCIHJYMJFTQ-MJBXVCDLSA-N 2 0 239.407 1.591 20 0 BDADRP COC(C)(C)[C@H]1CCC[N@@H+]1[C@@H]1CCC[NH2+]C1 ZINC001246812334 988499485 /nfs/dbraw/zinc/49/94/85/988499485.db2.gz YUIFUENSWDECDY-VXGBXAGGSA-N 2 0 226.364 1.628 20 0 BDADRP C[C@@H]1CN([C@@H]2CC[NH2+]C3(CCC3)C2)C[C@H](C)[NH2+]1 ZINC001246823029 988508142 /nfs/dbraw/zinc/50/81/42/988508142.db2.gz CSBQDNRSLGHAQO-FRRDWIJNSA-N 2 0 237.391 1.343 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2C[C@H]([NH3+])CC[C@@H]2C)CC[NH2+]1 ZINC001246822769 988508764 /nfs/dbraw/zinc/50/87/64/988508764.db2.gz MASZKNNWBFBHPT-DGAVXFQQSA-N 2 0 239.407 1.575 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246825990 988515708 /nfs/dbraw/zinc/51/57/08/988515708.db2.gz XWLRMCYGPNRTRW-MJBXVCDLSA-N 2 0 241.423 1.789 20 0 BDADRP CC(C)[C@H]1C[C@@H](N2CCCC[C@H]2C[NH3+])CC[NH2+]1 ZINC001246830279 988521248 /nfs/dbraw/zinc/52/12/48/988521248.db2.gz RWPIFWIKTXZZPR-MELADBBJSA-N 2 0 239.407 1.576 20 0 BDADRP C[C@@H]1C[C@H](N2CCC[C@@H]3C[N@H+](C)C[C@H]32)CC[NH2+]1 ZINC001246832608 988528986 /nfs/dbraw/zinc/52/89/86/988528986.db2.gz MUHWBAZTHHPLPH-AAVRWANBSA-N 2 0 237.391 1.153 20 0 BDADRP Cc1ccc(C[C@H](C)N(CC[NH3+])CC[NH3+])cc1 ZINC001246831331 988529693 /nfs/dbraw/zinc/52/96/93/988529693.db2.gz NLGDGHMLZYLBLY-ZDUSSCGKSA-N 2 0 235.375 1.145 20 0 BDADRP c1cn(C2CC[NH+](C3CC[NH2+]CC3)CC2)cn1 ZINC001246845709 988558520 /nfs/dbraw/zinc/55/85/20/988558520.db2.gz NDFMDHAYVBLUKM-UHFFFAOYSA-N 2 0 234.347 1.272 20 0 BDADRP C[C@@H]1CO[C@@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]12 ZINC001246851072 988564877 /nfs/dbraw/zinc/56/48/77/988564877.db2.gz DEXPTSZFAHAWFG-GSWZFVNLSA-N 2 0 236.359 1.236 20 0 BDADRP CCN(C1C[C@@H](C)[NH2+][C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC001246853151 988569640 /nfs/dbraw/zinc/56/96/40/988569640.db2.gz HFNMZHWYEQWERR-JHJVBQTASA-N 2 0 239.407 1.589 20 0 BDADRP CC1CCC([N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001246851739 988570568 /nfs/dbraw/zinc/57/05/68/988570568.db2.gz HCELYAANEFMLBT-PYNQCMFNSA-N 2 0 208.349 1.988 20 0 BDADRP C[C@@H]1CO[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C)[NH2+]C3)C[C@H]12 ZINC001246855002 988577138 /nfs/dbraw/zinc/57/71/38/988577138.db2.gz RTVZPGGHZKPWJG-SYLRKERUSA-N 2 0 224.348 1.094 20 0 BDADRP [NH3+][C@]12CC[C@H]1CN(C1CC[NH+](C3CC3)CC1)C2 ZINC001246859878 988589383 /nfs/dbraw/zinc/58/93/83/988589383.db2.gz KYMIUEYJZAAFIM-FZMZJTMJSA-N 2 0 235.375 1.036 20 0 BDADRP C1CC1N(C1C[NH2+]C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246863169 988607030 /nfs/dbraw/zinc/60/70/30/988607030.db2.gz KEGQAURTKUQAHH-PTEHBNRSSA-N 2 0 235.375 1.096 20 0 BDADRP C1CC1N(C1C[NH2+]C1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246863167 988610376 /nfs/dbraw/zinc/61/03/76/988610376.db2.gz KEGQAURTKUQAHH-PJXYFTJBSA-N 2 0 235.375 1.096 20 0 BDADRP CC[C@H]1C[C@@H](N2C[C@H](C)[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC001246871898 988634569 /nfs/dbraw/zinc/63/45/69/988634569.db2.gz ONAMAWVCFWITQD-CYDGBPFRSA-N 2 0 225.380 1.199 20 0 BDADRP CC[C@H]1C[C@H](N2C[C@H](C)[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC001246871901 988636010 /nfs/dbraw/zinc/63/60/10/988636010.db2.gz ONAMAWVCFWITQD-ZDEQEGDKSA-N 2 0 225.380 1.199 20 0 BDADRP CC[C@H]1CC(N2C[C@@H](C)[C@@H]([NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246879544 988645986 /nfs/dbraw/zinc/64/59/86/988645986.db2.gz FJCUGNWCTZHELD-UHXUPSOCSA-N 2 0 239.407 1.575 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](C)N1[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246884726 988653287 /nfs/dbraw/zinc/65/32/87/988653287.db2.gz UZNMUFMDQZHACK-JHJVBQTASA-N 2 0 237.391 1.343 20 0 BDADRP CC[C@@H]1C[C@H](N(CC)CC[NH2+]C)C[C@H](CC)[NH2+]1 ZINC001246889546 988659666 /nfs/dbraw/zinc/65/96/66/988659666.db2.gz FFKKLSSQLVQVNM-WDNDVIMCSA-N 2 0 241.423 1.837 20 0 BDADRP CCN(CC[NH2+]C)[C@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246893545 988666221 /nfs/dbraw/zinc/66/62/21/988666221.db2.gz WTAHWLWCNVNHSZ-QWHCGFSZSA-N 2 0 227.396 1.304 20 0 BDADRP CCC[C@H]1CN(C2C[C@@H]3C=C[C@H](C2)[NH2+]3)CC[NH2+]1 ZINC001246896919 988669123 /nfs/dbraw/zinc/66/91/23/988669123.db2.gz IACHGOUHIDAMFW-WJLOJVBCSA-N 2 0 235.375 1.119 20 0 BDADRP CCCN(C1CC[NH2+]CC1)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246895535 988670195 /nfs/dbraw/zinc/67/01/95/988670195.db2.gz CQIROSIPQCZKOE-TZMCWYRMSA-N 2 0 239.407 1.591 20 0 BDADRP CCC[C@H]1CN([C@@H]2CC[NH2+]C(C)(C)C2)CC[NH2+]1 ZINC001246902686 988674447 /nfs/dbraw/zinc/67/44/47/988674447.db2.gz LZAGHOFRPPHQGX-QWHCGFSZSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H]1CC[C@H](N2CC[C@H]([N@H+](C)C3CC3)C2)C[NH2+]1 ZINC001246905866 988679769 /nfs/dbraw/zinc/67/97/69/988679769.db2.gz AKWUPPDFJQJKKN-XBFCOCLRSA-N 2 0 237.391 1.295 20 0 BDADRP C1CC1N(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCC[NH2+]C1 ZINC001246915050 988708078 /nfs/dbraw/zinc/70/80/78/988708078.db2.gz JYIBBTOGTYOUEE-PEZGSVAQSA-N 2 0 249.402 1.486 20 0 BDADRP C1[C@@H]2C[NH2+]C[C@H]2N1[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001246915385 988708327 /nfs/dbraw/zinc/70/83/27/988708327.db2.gz FZQZFFFWLXFWSH-AEGPPILISA-N 2 0 249.402 1.297 20 0 BDADRP C[NH2+]C1CCC([N@H+](C)[C@H]2CCCC[C@H]2N)CC1 ZINC001246918778 988717136 /nfs/dbraw/zinc/71/71/36/988717136.db2.gz MBPFZQHBLCULHN-PQAZSJQKSA-N 2 0 239.407 1.719 20 0 BDADRP CC[C@@H]1C[C@@H](N2CCC[C@@H]2C[NH3+])C[C@H](CC)[NH2+]1 ZINC001246918081 988719225 /nfs/dbraw/zinc/71/92/25/988719225.db2.gz UQWKXTPKFKFRTO-XJFOESAGSA-N 2 0 239.407 1.719 20 0 BDADRP CC[C@H]1C[C@H](N(CC)[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246920298 988724723 /nfs/dbraw/zinc/72/47/23/988724723.db2.gz ZRFHVXANGUIODV-BFHYXJOUSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H]1CC[C@@H](N2CCC[C@H]([NH2+]C3CC3)C2)C[NH2+]1 ZINC001246921742 988741014 /nfs/dbraw/zinc/74/10/14/988741014.db2.gz RWWRSESUFZYJAX-KWCYVHTRSA-N 2 0 237.391 1.343 20 0 BDADRP CC(C)[N@H+](CCCCCO)C1CC[NH2+]CC1 ZINC001246923196 988742808 /nfs/dbraw/zinc/74/28/08/988742808.db2.gz BGMMPIMAOSEDSN-UHFFFAOYSA-N 2 0 228.380 1.611 20 0 BDADRP C[C@@H]1CC[C@H](n2ccc3c2CC[NH2+]C3)C[NH2+]1 ZINC001246928474 988744843 /nfs/dbraw/zinc/74/48/43/988744843.db2.gz ZZHSUKUNDBNVJU-PWSUYJOCSA-N 2 0 219.332 1.447 20 0 BDADRP CCCC[C@@H]1CN([C@@H]2CC[C@H](C)[NH2+]C2)CC[NH2+]1 ZINC001246925080 988746439 /nfs/dbraw/zinc/74/64/39/988746439.db2.gz LNAOPDRPKCMNSQ-BFHYXJOUSA-N 2 0 239.407 1.591 20 0 BDADRP C1CC1[NH2+][C@H]1CCCN([C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246924174 988747953 /nfs/dbraw/zinc/74/79/53/988747953.db2.gz ZIKFQQAVVBYHFM-XGUBFFRZSA-N 2 0 249.402 1.486 20 0 BDADRP CCC[C@@H]1C[NH2+]CCN1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246932817 988764874 /nfs/dbraw/zinc/76/48/74/988764874.db2.gz SBFMEAPAOLKDJE-FRRDWIJNSA-N 2 0 225.380 1.201 20 0 BDADRP CCCN([C@@H]1CC[NH2+]C1)[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246943020 988772471 /nfs/dbraw/zinc/77/24/71/988772471.db2.gz SSPRMCPAFBGWMN-CHWSQXEVSA-N 2 0 239.407 1.591 20 0 BDADRP CCC[NH+]1C[C@@H]2CN([C@H]3CCC[NH2+]C3)C[C@H]2C1 ZINC001246942900 988777144 /nfs/dbraw/zinc/77/71/44/988777144.db2.gz RKPLTDMAGSMWBU-MCIONIFRSA-N 2 0 237.391 1.012 20 0 BDADRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cc[nH]c(=O)c1 ZINC001324295759 988782543 /nfs/dbraw/zinc/78/25/43/988782543.db2.gz WLOKSRCTJTVNPS-GFCCVEGCSA-N 2 0 249.358 1.924 20 0 BDADRP CC(C)N([C@@H]1C[NH2+][C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC001246954166 988784422 /nfs/dbraw/zinc/78/44/22/988784422.db2.gz IZCGXCSHKGMGFG-UPJWGTAASA-N 2 0 225.380 1.199 20 0 BDADRP CC[N@H+](C)C1CCN([C@H]2CCC[NH2+]C2)CC1 ZINC001246949952 988785496 /nfs/dbraw/zinc/78/54/96/988785496.db2.gz MQDODJBPZSDSKZ-ZDUSSCGKSA-N 2 0 225.380 1.155 20 0 BDADRP CC[N@H+](C)C1CCN([C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246948973 988785643 /nfs/dbraw/zinc/78/56/43/988785643.db2.gz HFVFKCFIWKGZRN-JSGCOSHPSA-N 2 0 239.407 1.543 20 0 BDADRP C[NH2+]CCN([C@@H]1CC[NH2+][C@H](C)C1)C(C)(C)C ZINC001246950469 988787098 /nfs/dbraw/zinc/78/70/98/988787098.db2.gz VLDGGUCFSJGPPW-VXGBXAGGSA-N 2 0 227.396 1.447 20 0 BDADRP C[NH2+]CCN([C@@H]1CCC[NH2+]C1)C(C)(C)C ZINC001246948120 988787551 /nfs/dbraw/zinc/78/75/51/988787551.db2.gz ICNNJDPYOFPWFJ-LLVKDONJSA-N 2 0 213.369 1.058 20 0 BDADRP CC(C)CN(C1CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC001246951907 988789391 /nfs/dbraw/zinc/78/93/91/988789391.db2.gz HJCOEYUAQKSKLV-CQSZACIVSA-N 2 0 239.407 1.448 20 0 BDADRP CC(C)N([C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC001246954958 988789795 /nfs/dbraw/zinc/78/97/95/988789795.db2.gz OIQNZFXPEWVNAB-CHWSQXEVSA-N 2 0 225.380 1.201 20 0 BDADRP CC(C)N([C@@H]1CCC[NH2+]C1)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246956135 988789847 /nfs/dbraw/zinc/78/98/47/988789847.db2.gz WLDXVPLPAGYURQ-BFHYXJOUSA-N 2 0 239.407 1.589 20 0 BDADRP C[C@@H]1CN([C@H]2CC[NH2+]C3(CCC3)C2)C[C@@H](C)[NH2+]1 ZINC001246961985 988790884 /nfs/dbraw/zinc/79/08/84/988790884.db2.gz CSBQDNRSLGHAQO-UPJWGTAASA-N 2 0 237.391 1.343 20 0 BDADRP C[C@@H]1CN([C@H]2CC3CC[NH+](CC3)C2)C[C@H](C)[NH2+]1 ZINC001246964747 988794881 /nfs/dbraw/zinc/79/48/81/988794881.db2.gz NBXMJYROVGLWCR-SCRDCRAPSA-N 2 0 237.391 1.153 20 0 BDADRP CC(C)N([C@@H]1CC[NH2+]C1)[C@@H]1CCCC[NH2+]C1 ZINC001246960893 988797188 /nfs/dbraw/zinc/79/71/88/988797188.db2.gz PFPNSMITRRKZGG-CHWSQXEVSA-N 2 0 225.380 1.201 20 0 BDADRP C[NH2+]CC[C@H](C)N(C(C)C)[C@H]1CC[NH2+]C1 ZINC001246968934 988800020 /nfs/dbraw/zinc/80/00/20/988800020.db2.gz ROACMVTXLCKILF-RYUDHWBXSA-N 2 0 213.369 1.057 20 0 BDADRP CC[C@H](N)C[N@H+](C)C1CCC([NH+](C)C)CC1 ZINC001246972251 988800035 /nfs/dbraw/zinc/80/00/35/988800035.db2.gz BWNRLXAEHLJDHW-HIFPTAJRSA-N 2 0 227.396 1.528 20 0 BDADRP CCCN(C[C@@H]1CC[NH2+]C1)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246976475 988805207 /nfs/dbraw/zinc/80/52/07/988805207.db2.gz QQFJMVGSLABXJS-BFHYXJOUSA-N 2 0 239.407 1.448 20 0 BDADRP CC[C@H]([NH3+])CN(C)[C@H]1CCC[N@H+](C)CC1 ZINC001246974807 988807123 /nfs/dbraw/zinc/80/71/23/988807123.db2.gz RFGMFUGZESWZIX-RYUDHWBXSA-N 2 0 213.369 1.140 20 0 BDADRP CCCN(C[C@@H]1CC[NH2+]C1)[C@@H]1C[NH2+][C@H](C)C1 ZINC001246977136 988810835 /nfs/dbraw/zinc/81/08/35/988810835.db2.gz RVOKIGOEBBVCAL-UPJWGTAASA-N 2 0 225.380 1.058 20 0 BDADRP CC(C)[C@H]1C[C@@H](N(C)C[C@H](C)[NH3+])CC[NH2+]1 ZINC001246979494 988811418 /nfs/dbraw/zinc/81/14/18/988811418.db2.gz BJUYQYBWRHRUMR-SDDRHHMPSA-N 2 0 213.369 1.042 20 0 BDADRP CO[C@@H]1C[N@@H+]([C@@H](C)CCCC(C)C)C[C@@H]1N ZINC001246984133 988816016 /nfs/dbraw/zinc/81/60/16/988816016.db2.gz YIJAWQFRJWFAAT-RWMBFGLXSA-N 2 0 228.380 1.859 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N(C)C[C@H](C)[NH3+] ZINC001246982525 988817704 /nfs/dbraw/zinc/81/77/04/988817704.db2.gz XNACCOUHLURLCO-NWDGAFQWSA-N 2 0 215.385 1.386 20 0 BDADRP CCC(CC)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001246987132 988819170 /nfs/dbraw/zinc/81/91/70/988819170.db2.gz MKJVVUBQZMCSAF-CQSZACIVSA-N 2 0 241.423 1.791 20 0 BDADRP C[NH2+]CC[C@@H](C)N(C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001246989041 988821702 /nfs/dbraw/zinc/82/17/02/988821702.db2.gz RTNVTFBTHULVBZ-OCCSQVGLSA-N 2 0 239.407 1.591 20 0 BDADRP CC[N@@H+]1CCN([C@@H]2CC[C@H](C)[NH2+]C2)C(C)(C)C1 ZINC001246996249 988828935 /nfs/dbraw/zinc/82/89/35/988828935.db2.gz WSHLPLDFTKJRBW-QWHCGFSZSA-N 2 0 239.407 1.543 20 0 BDADRP O=C1CCC[C@@H]2C[N@@H+](C3CC[NH2+]CC3)C[C@H]12 ZINC001247005640 988837176 /nfs/dbraw/zinc/83/71/76/988837176.db2.gz QUQSOLVXQVMFKS-PWSUYJOCSA-N 2 0 222.332 1.039 20 0 BDADRP C[C@@H]1C[C@@H](N2CCC3(CC[C@H]3[NH3+])CC2)CC[NH2+]1 ZINC001247004831 988837283 /nfs/dbraw/zinc/83/72/83/988837283.db2.gz VPPHCTYEXXAGJQ-FRRDWIJNSA-N 2 0 237.391 1.330 20 0 BDADRP COCOc1ccc2[nH]c(CCC[NH3+])nc2c1 ZINC001247017422 988843811 /nfs/dbraw/zinc/84/38/11/988843811.db2.gz LDFIZZLTHIQYJV-UHFFFAOYSA-N 2 0 235.287 1.437 20 0 BDADRP C[C@H]1C[C@H](N2CC[C@@H]3[NH2+]CCC[C@H]3C2)CCO1 ZINC001247017133 988844280 /nfs/dbraw/zinc/84/42/80/988844280.db2.gz ZVSNLINUDRTWSX-FQUUOJAGSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@H]1C[C@H](N2CC[C@H]3[NH2+]CCC[C@H]3C2)CC[NH2+]1 ZINC001247016370 988844542 /nfs/dbraw/zinc/84/45/42/988844542.db2.gz ULQSAIQAEUANAC-IGQOVBAYSA-N 2 0 237.391 1.201 20 0 BDADRP C1C[C@H]2C[C@H](N3CC[C@H]4[NH2+]CCC[C@H]4C3)C[C@@H]1[NH2+]2 ZINC001247016979 988845540 /nfs/dbraw/zinc/84/55/40/988845540.db2.gz ZLQNYRLSQZGNNV-SBJFKYEJSA-N 2 0 249.402 1.343 20 0 BDADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1cc(N)ncn1 ZINC001515752751 989110941 /nfs/dbraw/zinc/11/09/41/989110941.db2.gz CFKURQRNVCKLOJ-MNOVXSKESA-N 2 0 247.346 1.122 20 0 BDADRP CC[N@@H+]1CCC[C@H](CN[C@H]2CCC[C@H]2[NH3+])C1 ZINC001325718172 989238755 /nfs/dbraw/zinc/23/87/55/989238755.db2.gz QQENGEMTFHJQIE-UPJWGTAASA-N 2 0 225.380 1.188 20 0 BDADRP C[NH2+][C@@H](C)CCN[C@@H]1CC[NH2+]C12CCCC2 ZINC001119631199 989265034 /nfs/dbraw/zinc/26/50/34/989265034.db2.gz POYFTRHNJQRPMY-NWDGAFQWSA-N 2 0 225.380 1.249 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC001326035296 989334874 /nfs/dbraw/zinc/33/48/74/989334874.db2.gz HPMUDCPBESIRJK-RYUDHWBXSA-N 3 0 227.396 1.162 20 0 BDADRP [NH3+]CC1(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)CC1 ZINC001326200954 989420831 /nfs/dbraw/zinc/42/08/31/989420831.db2.gz GQHIRODHVJYJHJ-UHFFFAOYSA-N 2 0 237.391 1.191 20 0 BDADRP C[NH2+][C@H](C)CCNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC001326243439 989443061 /nfs/dbraw/zinc/44/30/61/989443061.db2.gz BDPVVXOWDAOKLI-DGCLKSJQSA-N 2 0 249.358 1.191 20 0 BDADRP CC(C)C[NH2+]CC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC001326275636 989461955 /nfs/dbraw/zinc/46/19/55/989461955.db2.gz LBTIWLUYOFZOHN-ZDUSSCGKSA-N 2 0 249.358 1.048 20 0 BDADRP [NH3+]C1CC([NH2+]Cc2ccccc2N2CCCC2)C1 ZINC001120282761 989627105 /nfs/dbraw/zinc/62/71/05/989627105.db2.gz LTEKYUPLTKDUDR-UHFFFAOYSA-N 2 0 245.370 1.866 20 0 BDADRP CSC[C@@H](O)C[NH2+]CCC[N@H+](C)C(C)C ZINC001120569605 989738558 /nfs/dbraw/zinc/73/85/58/989738558.db2.gz CLOPQHXICCZRKW-NSHDSACASA-N 2 0 234.409 1.030 20 0 BDADRP COCCC[NH+]1CCC(Nc2cc[nH+]cc2)CC1 ZINC001120855079 989924712 /nfs/dbraw/zinc/92/47/12/989924712.db2.gz HJIBPKUXYMALGE-UHFFFAOYSA-N 2 0 249.358 1.416 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)NC1(C)CC[NH2+]CC1 ZINC001121938918 990144350 /nfs/dbraw/zinc/14/43/50/990144350.db2.gz XENVDNFZOMZFDX-NSHDSACASA-N 2 0 241.379 1.008 20 0 BDADRP [NH3+]Cc1ccccc1C(=O)NCCC1(C[NH3+])CC1 ZINC001122046597 990206395 /nfs/dbraw/zinc/20/63/95/990206395.db2.gz FQKBZZLQGRDKPA-UHFFFAOYSA-N 2 0 247.342 1.004 20 0 BDADRP C[NH2+]CCCCC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC001122066863 990218072 /nfs/dbraw/zinc/21/80/72/990218072.db2.gz SLHLEHLKSKHRAV-LBPRGKRZSA-N 2 0 241.379 1.010 20 0 BDADRP [NH3+]Cc1ccccc1C(=O)NCCC[NH2+]C1CC1 ZINC001122087147 990230623 /nfs/dbraw/zinc/23/06/23/990230623.db2.gz PDKFBAPQWNCCPG-UHFFFAOYSA-N 2 0 247.342 1.017 20 0 BDADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N(CC[NH2+]C)C(C)C ZINC001122174270 990277754 /nfs/dbraw/zinc/27/77/54/990277754.db2.gz TZBNKHXTFIGBNF-NWDGAFQWSA-N 2 0 243.395 1.206 20 0 BDADRP [NH3+]Cc1ccccc1NC(=O)C[C@H]1CCC[NH2+]1 ZINC001122346538 990351200 /nfs/dbraw/zinc/35/12/00/990351200.db2.gz VIIKQHHFRMMBSK-LLVKDONJSA-N 2 0 233.315 1.226 20 0 BDADRP C[NH2+]CCCCC(=O)Nc1ccccc1C[NH3+] ZINC001122346306 990351207 /nfs/dbraw/zinc/35/12/07/990351207.db2.gz ODHNIMAYEMCHFT-UHFFFAOYSA-N 2 0 235.331 1.474 20 0 BDADRP CC[C@@H]([NH2+]C)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC001122407815 990377893 /nfs/dbraw/zinc/37/78/93/990377893.db2.gz PADOLCTUFMMBLC-GFCCVEGCSA-N 2 0 249.358 1.817 20 0 BDADRP C[C@@H](CC[NH+](C)C)C(=O)NCC(C)(C)[NH+](C)C ZINC001540265207 990599071 /nfs/dbraw/zinc/59/90/71/990599071.db2.gz CHTWZVBKXHUQOX-NSHDSACASA-N 2 0 243.395 1.031 20 0 BDADRP C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2ccccc2)C1 ZINC000225100732 990886950 /nfs/dbraw/zinc/88/69/50/990886950.db2.gz OTKSAYFTKWFPIR-TZMCWYRMSA-N 2 0 234.343 1.261 20 0 BDADRP [NH2+]=CNC1CC[NH+](CCc2ccccc2)CC1 ZINC001258135033 991025498 /nfs/dbraw/zinc/02/54/98/991025498.db2.gz GODRHSYVIHQYBG-UHFFFAOYSA-N 2 0 231.343 1.890 20 0 BDADRP Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)cn1 ZINC001308554359 991033133 /nfs/dbraw/zinc/03/31/33/991033133.db2.gz OTSQOAFHOQKMIY-RBSFLKMASA-N 2 0 245.370 1.820 20 0 BDADRP Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)cn1 ZINC001308554360 991036434 /nfs/dbraw/zinc/03/64/34/991036434.db2.gz OTSQOAFHOQKMIY-RRFJBIMHSA-N 2 0 245.370 1.820 20 0 BDADRP CO[C@@H](C)C[N@H+](C)CC(C)(C)C[NH+](C)C ZINC001308969917 991243475 /nfs/dbraw/zinc/24/34/75/991243475.db2.gz YNXMOCRTBIBHEO-NSHDSACASA-N 2 0 216.369 1.541 20 0 BDADRP C[C@H]1[C@@H](O)CCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC001560135643 991389279 /nfs/dbraw/zinc/38/92/79/991389279.db2.gz XABXSVSPFBUMQA-AVGNSLFASA-N 2 0 226.364 1.316 20 0 BDADRP CC(C)[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001317268243 991484894 /nfs/dbraw/zinc/48/48/94/991484894.db2.gz YKKKTHLMUFBQEL-NWDGAFQWSA-N 2 0 243.395 1.075 20 0 BDADRP CC1(C)CC[C@@H](NC(=[NH2+])NCCCC[NH3+])C1 ZINC001258594194 991491339 /nfs/dbraw/zinc/49/13/39/991491339.db2.gz CRVGWBNKSYGSQO-SNVBAGLBSA-N 2 0 226.368 1.418 20 0 BDADRP CN(CC[NH3+])CC[NH2+][C@@H]1CCC(C)(C)C1 ZINC001258599278 991503208 /nfs/dbraw/zinc/50/32/08/991503208.db2.gz XHYDENYWSWOOBI-LLVKDONJSA-N 2 0 213.369 1.045 20 0 BDADRP CC[NH+]1CCC(C[NH2+]CC[C@H](C)[NH+](C)C)CC1 ZINC001560951381 991667654 /nfs/dbraw/zinc/66/76/54/991667654.db2.gz GFYZSKUAGUMZCN-ZDUSSCGKSA-N 3 0 241.423 1.648 20 0 BDADRP CCCC[C@H](CCC)[NH2+]CCN(C)CC[NH3+] ZINC001258756890 991701928 /nfs/dbraw/zinc/70/19/28/991701928.db2.gz YHUMRGPJMASDOS-ZDUSSCGKSA-N 2 0 229.412 1.825 20 0 BDADRP CCC[NH+]1CCC([NH2+]C(C)(C)CCO)CC1 ZINC001258766326 991725005 /nfs/dbraw/zinc/72/50/05/991725005.db2.gz QSBXWJOOCOUTLU-UHFFFAOYSA-N 2 0 228.380 1.611 20 0 BDADRP CCCN(CCC[NH3+])C1CC[NH+](CCC)CC1 ZINC001258764791 991725362 /nfs/dbraw/zinc/72/53/62/991725362.db2.gz HCNXFKGXSYAEMC-UHFFFAOYSA-N 2 0 241.423 1.922 20 0 BDADRP CCC[NH+]1CCC(N(C)C[C@H](C)C[NH3+])CC1 ZINC001258769470 991733755 /nfs/dbraw/zinc/73/37/55/991733755.db2.gz PDDJPCLVUBTRKT-GFCCVEGCSA-N 2 0 227.396 1.387 20 0 BDADRP CCC[NH+]1CCC(N2CC[C@H](F)C2)CC1 ZINC001258772010 991736021 /nfs/dbraw/zinc/73/60/21/991736021.db2.gz GBBFGDZICVDVRF-NSHDSACASA-N 2 0 214.328 1.905 20 0 BDADRP CCC[NH+]1CCC([N@@H+]2CCCC[C@H](O)C2)CC1 ZINC001258771965 991739263 /nfs/dbraw/zinc/73/92/63/991739263.db2.gz DHVDKEBHHJCCSB-AWEZNQCLSA-N 2 0 240.391 1.708 20 0 BDADRP CCC[NH+]1CCC([N@@H+]2CC[C@H](O)[C@@H](C)C2)CC1 ZINC001258772551 991739915 /nfs/dbraw/zinc/73/99/15/991739915.db2.gz SPQACOFPGACSSK-JSGCOSHPSA-N 2 0 240.391 1.564 20 0 BDADRP CCC[NH+]1CCC(N2CC3(C2)C[NH+](C)C3)CC1 ZINC001258778110 991747739 /nfs/dbraw/zinc/74/77/39/991747739.db2.gz VWVSEQMQZWKHAT-UHFFFAOYSA-N 2 0 237.391 1.108 20 0 BDADRP CC[C@@H](C)C[C@H](CC)[NH+]1CCN(CC[NH3+])CC1 ZINC001258780629 991750382 /nfs/dbraw/zinc/75/03/82/991750382.db2.gz PZNZDVZNMOFXJL-KGLIPLIRSA-N 2 0 241.423 1.778 20 0 BDADRP CC(C)C1CCC([NH2+]C[C@H](O)C[NH3+])CC1 ZINC001258797813 991794837 /nfs/dbraw/zinc/79/48/37/991794837.db2.gz KOYOCLNFOLOODY-HTAVTVPLSA-N 2 0 214.353 1.110 20 0 BDADRP C[C@H]1CCC[C@@H](NC(=[NH2+])SCC[NH3+])C1 ZINC001258808446 991814520 /nfs/dbraw/zinc/81/45/20/991814520.db2.gz QODPZDSQGHHWGW-DTWKUNHWSA-N 2 0 215.366 1.781 20 0 BDADRP C[C@H]1CCC[C@H]([NH2+]CCN(C)CC[NH3+])C1 ZINC001258816134 991828441 /nfs/dbraw/zinc/82/84/41/991828441.db2.gz YDWSUFSBPVAGEZ-RYUDHWBXSA-N 2 0 213.369 1.045 20 0 BDADRP C[C@@H]1CCC[C@H]([NH2+]CCC[N@H+](C)CCO)C1 ZINC001258817080 991831612 /nfs/dbraw/zinc/83/16/12/991831612.db2.gz MTSCGWYNYHAKLG-OLZOCXBDSA-N 2 0 228.380 1.469 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](COC)C(C)C)C1 ZINC001319382456 991853757 /nfs/dbraw/zinc/85/37/57/991853757.db2.gz DSCOYOPBLROOKP-ZIAGYGMSSA-N 2 0 242.407 1.979 20 0 BDADRP CC[C@H](CO)[NH2+][C@H](C)CCC[NH+](CC)CC ZINC001258895398 991890920 /nfs/dbraw/zinc/89/09/20/991890920.db2.gz BASPEUWJEPLZFB-CHWSQXEVSA-N 2 0 230.396 1.857 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1CC(=O)C1 ZINC001258898988 991894576 /nfs/dbraw/zinc/89/45/76/991894576.db2.gz AENCIMTWNVSFRR-LLVKDONJSA-N 2 0 226.364 1.818 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1C[C@H](CO)C1 ZINC001258899153 991895442 /nfs/dbraw/zinc/89/54/42/991895442.db2.gz GPVYJYCLFFTODV-IHRRRGAJSA-N 2 0 242.407 1.857 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CC(O)C1 ZINC001258908065 991900658 /nfs/dbraw/zinc/90/06/58/991900658.db2.gz QMFRIPXRVAZEST-LLVKDONJSA-N 2 0 214.353 1.173 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC001261424596 992290614 /nfs/dbraw/zinc/29/06/14/992290614.db2.gz YOYPVKCFINRBME-VPOLOUISSA-N 2 0 200.326 1.140 20 0 BDADRP CCCC[N@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001570734462 992512681 /nfs/dbraw/zinc/51/26/81/992512681.db2.gz UZNPFAORGQFYQU-GFCCVEGCSA-N 2 0 243.395 1.175 20 0 BDADRP CC(C)[NH2+][C@H](C)CN(C)C(=O)CCC[NH+](C)C ZINC001571401697 992550989 /nfs/dbraw/zinc/55/09/89/992550989.db2.gz JCYAKWGTMUEVDM-GFCCVEGCSA-N 2 0 243.395 1.173 20 0 BDADRP CC(C)C[N@H+](C)CCC[NH2+]CC1CC[NH2+]CC1 ZINC001573510665 992626646 /nfs/dbraw/zinc/62/66/46/992626646.db2.gz FUQWQYPXKKDEGF-UHFFFAOYSA-N 3 0 241.423 1.554 20 0 BDADRP C[C@H]([NH3+])c1ccc(C(=O)NCCC(C)(C)[NH3+])cc1 ZINC001262042963 992630105 /nfs/dbraw/zinc/63/01/05/992630105.db2.gz CYJLNSHFALGMPO-JTQLQIEISA-N 2 0 249.358 1.564 20 0 BDADRP C1C[C@@H]2[C@H](O1)[C@H]1CC[C@@H]([NH2+]C3CC[NH2+]CC3)[C@@H]21 ZINC001574795435 992911411 /nfs/dbraw/zinc/91/14/11/992911411.db2.gz MWXLHOFBVFWNNC-ODXJTPSBSA-N 2 0 236.359 1.142 20 0 BDADRP C1C[C@]2(C[NH2+]1)CCCC[N@@H+]([C@H]1CCOC1)C2 ZINC001574801092 992913384 /nfs/dbraw/zinc/91/33/84/992913384.db2.gz NCRIOGFGOSLOBZ-STQMWFEESA-N 2 0 224.348 1.241 20 0 BDADRP C([NH2+][C@@H]1C[C@@H]2COC[C@H]12)[C@@H]1CCCCC[NH2+]1 ZINC001574801596 992914356 /nfs/dbraw/zinc/91/43/56/992914356.db2.gz SHWFCJCQAAKQQF-MROQNXINSA-N 2 0 224.348 1.143 20 0 BDADRP C([NH2+]C1CC2(C1)CCCC2)[C@@H]1C[NH2+]CCCO1 ZINC001574799984 992915150 /nfs/dbraw/zinc/91/51/50/992915150.db2.gz GRURPCINEIOIRR-ZDUSSCGKSA-N 2 0 238.375 1.677 20 0 BDADRP C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH2+][C@@H]1CCCOC1 ZINC001574816737 992919407 /nfs/dbraw/zinc/91/94/07/992919407.db2.gz LMYIFFWHQGLFCO-WTUNAVPPSA-N 2 0 238.375 1.676 20 0 BDADRP C1C[C@@H]2[NH2+][C@H]1C[C@H]2[NH2+][C@H]1CCCOCC1 ZINC001574817348 992922639 /nfs/dbraw/zinc/92/26/39/992922639.db2.gz ZDZFSDDWAXLUSB-WHOHXGKFSA-N 2 0 210.321 1.038 20 0 BDADRP CC(=O)OC[C@@H](C)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC001575029670 992969376 /nfs/dbraw/zinc/96/93/76/992969376.db2.gz PDNQMUMWWSTVMD-RAIGVLPGSA-N 2 0 240.347 1.060 20 0 BDADRP CC(C)(C)OC1CC([NH2+][C@H]2C[C@@H]([NH3+])C2)C1 ZINC001575246490 993001318 /nfs/dbraw/zinc/00/13/18/993001318.db2.gz IWWKAWIQXUSJLL-IXBNRNDTSA-N 2 0 212.337 1.412 20 0 BDADRP CC(C)(C[NH2+]C[C@@]1(O)CC[NH2+]C1)c1ccccc1 ZINC001575334501 993013080 /nfs/dbraw/zinc/01/30/80/993013080.db2.gz LIPJDHHMNJEBEA-OAHLLOKOSA-N 2 0 248.370 1.278 20 0 BDADRP CC(C)(C[NH2+]C1CC2(C[C@H]2[NH3+])C1)c1ccccn1 ZINC001575334364 993013463 /nfs/dbraw/zinc/01/34/63/993013463.db2.gz JWMIFIIFXJSVEZ-MQYJIDSJSA-N 2 0 245.370 1.829 20 0 BDADRP CCC[NH+]1CCC(CNc2ccnc(N)n2)CC1 ZINC001262681407 993020059 /nfs/dbraw/zinc/02/00/59/993020059.db2.gz LRHKATXKZIIXFI-UHFFFAOYSA-N 2 0 249.362 1.593 20 0 BDADRP CC(C)[C@@H](CO)[C@@H]([NH2+]C1CC([NH3+])C1)C(C)C ZINC001575431623 993040862 /nfs/dbraw/zinc/04/08/62/993040862.db2.gz DGIZWPOESDXKJE-TUUUFIMRSA-N 2 0 228.380 1.355 20 0 BDADRP CC(C)[C@H](O)CC[N@H+](C)CC1CC[NH2+]CC1 ZINC001575470595 993051015 /nfs/dbraw/zinc/05/10/15/993051015.db2.gz DAXJHMXGINSGDZ-CYBMUJFWSA-N 2 0 228.380 1.325 20 0 BDADRP CC(C)[C@@H](O)CC[NH2+][C@@](C)(CN)C(C)C ZINC001575473636 993054670 /nfs/dbraw/zinc/05/46/70/993054670.db2.gz VXZVVSBKMRWQTP-RYUDHWBXSA-N 2 0 216.369 1.356 20 0 BDADRP CC(C)[C@@]1(CO)CC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC001575495907 993056385 /nfs/dbraw/zinc/05/63/85/993056385.db2.gz GUBOSWHMSFHKQC-RDBSUJKOSA-N 2 0 240.391 1.182 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C2CC3(C[C@@H]3[NH3+])C2)C1 ZINC001575696442 993096542 /nfs/dbraw/zinc/09/65/42/993096542.db2.gz ASFMZYXRZJZUDG-ZIHBUVQPSA-N 3 0 237.391 1.186 20 0 BDADRP CC(C)[N@@H+]1CCCC[C@@H]1CN[C@H](C[NH3+])C1CC1 ZINC001575700277 993097931 /nfs/dbraw/zinc/09/79/31/993097931.db2.gz OVUAWZVIDCPJJN-ZIAGYGMSSA-N 2 0 239.407 1.576 20 0 BDADRP CC(C)[N@@H+]1CCCC[C@H]1CN[C@@H](C[NH3+])C1CC1 ZINC001575700274 993098466 /nfs/dbraw/zinc/09/84/66/993098466.db2.gz OVUAWZVIDCPJJN-KBPBESRZSA-N 2 0 239.407 1.576 20 0 BDADRP CC(C)[NH2+][C@H]1CCCN(C[C@H]2CCC[NH2+]2)C1 ZINC001575721929 993102554 /nfs/dbraw/zinc/10/25/54/993102554.db2.gz CATZMJSHXMMJFW-OLZOCXBDSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001575941989 993133988 /nfs/dbraw/zinc/13/39/88/993133988.db2.gz ZJWYPNKFJRBIFU-NFIBXUFNSA-N 2 0 236.359 1.282 20 0 BDADRP C[C@@H](CC[NH+](C)C)C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC001575951982 993136078 /nfs/dbraw/zinc/13/60/78/993136078.db2.gz AQOXASYLDFZGQV-WDEREUQCSA-N 2 0 243.395 1.064 20 0 BDADRP C[C@@H](CC[NH3+])[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC001575962350 993141018 /nfs/dbraw/zinc/14/10/18/993141018.db2.gz PUVHYXULYNBYRX-DVWMECQTSA-N 2 0 224.348 1.127 20 0 BDADRP C[C@@H](CC[NH3+])[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC001575962895 993144217 /nfs/dbraw/zinc/14/42/17/993144217.db2.gz ZKOBNWLYPRTJIX-BJDJZHNGSA-N 2 0 224.348 1.271 20 0 BDADRP C[C@@H](Cn1cccn1)[NH2+]C1CC2(CC([NH3+])C2)C1 ZINC001576073569 993173908 /nfs/dbraw/zinc/17/39/08/993173908.db2.gz XTPNBYVYYLCNDP-DCNVRKPOSA-N 2 0 234.347 1.131 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc[nH]c(=O)c2)C1 ZINC001576116913 993185790 /nfs/dbraw/zinc/18/57/90/993185790.db2.gz BSJUKTMSXBVANK-CMPLNLGQSA-N 2 0 235.331 1.346 20 0 BDADRP C[C@@H]1[C@H](C(=O)Nc2ccccc2C[NH3+])CC[N@@H+]1C ZINC001263266687 993199687 /nfs/dbraw/zinc/19/96/87/993199687.db2.gz YFUVJMTZQWTIDJ-ZYHUDNBSSA-N 2 0 247.342 1.424 20 0 BDADRP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2cnn(C)c2)cc1 ZINC001576170244 993202566 /nfs/dbraw/zinc/20/25/66/993202566.db2.gz WYDMADDWFHUIIJ-NSHDSACASA-N 2 0 244.342 1.730 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CC[C@@H]([NH3+])C1)c1csnn1 ZINC001576243339 993217169 /nfs/dbraw/zinc/21/71/69/993217169.db2.gz AOOPJLBEZLKANJ-HRDYMLBCSA-N 2 0 226.349 1.316 20 0 BDADRP C[C@@H]([NH2+][C@H]1[C@@H]2CCC[C@@H]21)[C@H]1CCCC[NH2+]1 ZINC001576239042 993226022 /nfs/dbraw/zinc/22/60/22/993226022.db2.gz KTOYCYIUGQSUKR-LBELIVKGSA-N 2 0 208.349 1.905 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CC[C@@H]([NH3+])C1)[C@H]1CCCO1 ZINC001576244569 993228084 /nfs/dbraw/zinc/22/80/84/993228084.db2.gz LSMRMNKMXTYUMZ-WRWGMCAJSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)[C@H]1COC(C)(C)O1 ZINC001576240474 993228690 /nfs/dbraw/zinc/22/86/90/993228690.db2.gz ZRFXFHMKXFTUNL-GRYCIOLGSA-N 2 0 242.363 1.258 20 0 BDADRP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1C[C@H]1C1CC1 ZINC001576249785 993234745 /nfs/dbraw/zinc/23/47/45/993234745.db2.gz AKTPUYCMWUGFLY-ZJVZXRLSSA-N 2 0 206.333 1.228 20 0 BDADRP C[C@@H](O)[C@@H]1CCCC[N@@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576269015 993244078 /nfs/dbraw/zinc/24/40/78/993244078.db2.gz KHYDPDTTXQDPDV-XQHKEYJVSA-N 2 0 226.364 1.349 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCOCC1CCC1 ZINC001576380736 993285814 /nfs/dbraw/zinc/28/58/14/993285814.db2.gz XQSKDHXKFODOOA-VXGBXAGGSA-N 2 0 226.364 1.519 20 0 BDADRP CC1(C)[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2O3)C[C@@H]1[NH3+] ZINC001576380559 993287164 /nfs/dbraw/zinc/28/71/64/993287164.db2.gz UNHBTLRZPDXCMR-UNQZSWDGSA-N 2 0 210.321 1.022 20 0 BDADRP CC1(C)[C@@H](C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)C1(F)F ZINC001576384047 993291559 /nfs/dbraw/zinc/29/15/59/993291559.db2.gz SUMOEZPIDUCDTK-HLTSFMKQSA-N 2 0 232.318 1.993 20 0 BDADRP CC1(C)CCN(CC[NH2+]C2CC3(C[C@H]3[NH3+])C2)C1 ZINC001576440004 993308533 /nfs/dbraw/zinc/30/85/33/993308533.db2.gz ICOXYQDUNOVMRQ-MBHSVXNSSA-N 2 0 237.391 1.188 20 0 BDADRP CC1(C)C[N@H+](C[C@@H](O)CC[NH3+])[C@@H]2CCC[C@@H]21 ZINC001576457382 993313095 /nfs/dbraw/zinc/31/30/95/993313095.db2.gz BXPZPFOQHQHZGQ-SDDRHHMPSA-N 2 0 226.364 1.207 20 0 BDADRP C[C@@]1(C[NH2+]CC2([NH3+])CCOCC2)CCCCO1 ZINC001576518844 993330154 /nfs/dbraw/zinc/33/01/54/993330154.db2.gz HTBJOHCEQFIUBM-LBPRGKRZSA-N 2 0 242.363 1.043 20 0 BDADRP CC1(O)CCC([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC001576545205 993339320 /nfs/dbraw/zinc/33/93/20/993339320.db2.gz GDBYTFQXMBMGNB-ZFDZMSFRSA-N 2 0 226.364 1.397 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@H](O)CC[C@H]2C)CC[NH2+]1 ZINC001576597238 993360851 /nfs/dbraw/zinc/36/08/51/993360851.db2.gz DTTBVALYMGTQCL-FDYHWXHSSA-N 2 0 226.364 1.220 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+]C2CC3(C[C@H]3[NH3+])C2)[C@@H](C)O1 ZINC001576597561 993361028 /nfs/dbraw/zinc/36/10/28/993361028.db2.gz GINHSBSWHVKFMU-UKUBVZKASA-N 2 0 224.348 1.269 20 0 BDADRP CC1CC(C[NH+]2CCC3(C[NH2+]C3)CC2)C1 ZINC001576600009 993362748 /nfs/dbraw/zinc/36/27/48/993362748.db2.gz XCNCOTKQDKQTAG-UHFFFAOYSA-N 2 0 208.349 1.718 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+]C[C@H]2CCCCN2C)CC[NH2+]1 ZINC001576599907 993363480 /nfs/dbraw/zinc/36/34/80/993363480.db2.gz YKNZVWNWYPDFBP-HZSPNIEDSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C2CC3(CC([NH3+])C3)C2)CCO1 ZINC001576623999 993372824 /nfs/dbraw/zinc/37/28/24/993372824.db2.gz OEAPVRHWPIDYPI-NIMGSEGYSA-N 2 0 224.348 1.413 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C2CC3(C[C@@H]3[NH3+])C2)CS1 ZINC001576625033 993373546 /nfs/dbraw/zinc/37/35/46/993373546.db2.gz WQYKOGQHAFTSQP-KXSRJRLMSA-N 2 0 212.362 1.350 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]2c2cnn(C)c2)CC[NH2+]1 ZINC001576623986 993373929 /nfs/dbraw/zinc/37/39/29/993373929.db2.gz NTTSYJCZQXZYJB-CDGCEXEKSA-N 2 0 248.374 1.254 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(N2CC[NH2+]CC2)o1 ZINC001576635009 993380540 /nfs/dbraw/zinc/38/05/40/993380540.db2.gz OIACBJXEVQACOI-VXGBXAGGSA-N 2 0 249.358 1.435 20 0 BDADRP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C[C@]2(O)CC[NH2+]C2)C1 ZINC001576646437 993382241 /nfs/dbraw/zinc/38/22/41/993382241.db2.gz DBEUIYYGQXRDAL-VOAKCMCISA-N 2 0 226.364 1.125 20 0 BDADRP COc1ccc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)cn1 ZINC000381263343 993383039 /nfs/dbraw/zinc/38/30/39/993383039.db2.gz PVQHTIVBTGUKOU-LBPRGKRZSA-N 2 0 249.358 1.651 20 0 BDADRP C[C@@H]1CC[C@](CO)([N@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC001576650830 993383961 /nfs/dbraw/zinc/38/39/61/993383961.db2.gz NOKWBISHSBNCDO-MQYQWHSLSA-N 2 0 240.391 1.325 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C[C@H]1O ZINC001576729711 993407463 /nfs/dbraw/zinc/40/74/63/993407463.db2.gz WOOFAFUXVZMJER-JHJVBQTASA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H]1COCC[C@H]1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001576854138 993430948 /nfs/dbraw/zinc/43/09/48/993430948.db2.gz LXCSLRUNAOPSRJ-UPJWGTAASA-N 2 0 226.364 1.248 20 0 BDADRP C[C@H]1COCC[C@H]1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001576854140 993432383 /nfs/dbraw/zinc/43/23/83/993432383.db2.gz LXCSLRUNAOPSRJ-XQQFMLRXSA-N 2 0 226.364 1.248 20 0 BDADRP Cc1cncc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC000381995645 993435106 /nfs/dbraw/zinc/43/51/06/993435106.db2.gz IJPMVISKIZBZSC-CYBMUJFWSA-N 2 0 219.332 1.703 20 0 BDADRP CCC[C@@H](C[NH2+]CCC[NH+]1CCCC1)OC ZINC000382008797 993437653 /nfs/dbraw/zinc/43/76/53/993437653.db2.gz CDFDZKXKEQOYEL-ZDUSSCGKSA-N 2 0 228.380 1.877 20 0 BDADRP CC[C@](C)(C[NH2+]C1CC2(C[C@H]2[NH3+])C1)OC ZINC001576948951 993461849 /nfs/dbraw/zinc/46/18/49/993461849.db2.gz BBPYMXBKZCIBFZ-BFUDSRACSA-N 2 0 212.337 1.271 20 0 BDADRP CC[C@](C)(O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC001576959803 993466634 /nfs/dbraw/zinc/46/66/34/993466634.db2.gz HZAGKLRULGIKBM-IHRRRGAJSA-N 2 0 240.391 1.469 20 0 BDADRP CC[C@@H](C)C[C@@H](CO)[NH2+]CC(C)(C)C[NH3+] ZINC001576971449 993475253 /nfs/dbraw/zinc/47/52/53/993475253.db2.gz PJFDDOABFSIGQF-MNOVXSKESA-N 2 0 216.369 1.358 20 0 BDADRP CC[C@H](C)C[C@@H](CO)[NH2+]C[C@@H]([NH3+])CC(F)F ZINC001576971904 993477993 /nfs/dbraw/zinc/47/79/93/993477993.db2.gz RVULCRRMSLTDKS-GUBZILKMSA-N 2 0 238.322 1.356 20 0 BDADRP CCC(CC)(C[NH3+])C[NH2+]C[C@@]1(OC)CCOC1 ZINC001577051920 993491010 /nfs/dbraw/zinc/49/10/10/993491010.db2.gz GGMTUMNRKBSDOT-ZDUSSCGKSA-N 2 0 244.379 1.147 20 0 BDADRP CCC(CC)[N@H+](C[C@H](O)CC[NH3+])C1CC1 ZINC001577069547 993493655 /nfs/dbraw/zinc/49/36/55/993493655.db2.gz FYUQOIQCUYLCPV-GFCCVEGCSA-N 2 0 214.353 1.349 20 0 BDADRP CC[C@H](CO)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001577088420 993498517 /nfs/dbraw/zinc/49/85/17/993498517.db2.gz CHJLKTBRCRWQMS-BFHYXJOUSA-N 2 0 240.391 1.469 20 0 BDADRP CC[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)C(=O)OC ZINC001577089854 993499099 /nfs/dbraw/zinc/49/90/99/993499099.db2.gz OGDHVHCOXIZQLS-GMTAPVOTSA-N 2 0 240.347 1.045 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH+]2CCCC[C@@H](C[NH3+])C2)CC1 ZINC000383743773 993515396 /nfs/dbraw/zinc/51/53/96/993515396.db2.gz ISJIXHPBOTYFPK-UONOGXRCSA-N 3 0 239.407 1.532 20 0 BDADRP CC[C@]1(C)C[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC001577208865 993545127 /nfs/dbraw/zinc/54/51/27/993545127.db2.gz NOBOUIAPQOVIKP-HZSPNIEDSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@H]1[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCO[C@H](CC)C1 ZINC001577241351 993554319 /nfs/dbraw/zinc/55/43/19/993554319.db2.gz RPVSJLPPUJFTSJ-SYQHCUMBSA-N 2 0 240.391 1.922 20 0 BDADRP CC[C@H]1CCC[C@@H]([NH2+]C[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC001577246840 993557287 /nfs/dbraw/zinc/55/72/87/993557287.db2.gz TZRCBCASHBLPEL-REWJHTLYSA-N 2 0 240.391 1.515 20 0 BDADRP CC[NH+](CC)C1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000384223519 993558589 /nfs/dbraw/zinc/55/85/89/993558589.db2.gz DTWQKDHIHHKEBJ-ZDUSSCGKSA-N 2 0 239.407 1.402 20 0 BDADRP CCC[C@H](C[NH2+][C@@H]1CCCC[C@H]1[NH3+])OC ZINC001577357676 993615589 /nfs/dbraw/zinc/61/55/89/993615589.db2.gz FDJHDHVBRBJQOG-IJLUTSLNSA-N 2 0 214.353 1.661 20 0 BDADRP CCC[C@@](C)(O)C[NH2+]C[C@H](N)CC(F)(F)F ZINC001577330775 993598189 /nfs/dbraw/zinc/59/81/89/993598189.db2.gz GDIXVFIBCGSTPU-RKDXNWHRSA-N 2 0 242.285 1.407 20 0 BDADRP CCCC[N@H+](C)CCNC(=O)[C@](C)(CC)C[NH3+] ZINC001577445566 993663942 /nfs/dbraw/zinc/66/39/42/993663942.db2.gz YSXZGUOAQFPWLA-CYBMUJFWSA-N 2 0 243.395 1.210 20 0 BDADRP CCCCN(C)C[C@H](C)[NH2+]C1CC(C[NH3+])C1 ZINC001577447804 993664114 /nfs/dbraw/zinc/66/41/14/993664114.db2.gz LIWAZJRVOZTFNN-HIFPTAJRSA-N 2 0 227.396 1.434 20 0 BDADRP CCCC[N@@H+]1CCCC[C@@H]1CNCC(C)(C)[NH3+] ZINC001577457803 993669107 /nfs/dbraw/zinc/66/91/07/993669107.db2.gz GDBHENRDPRXFOE-CYBMUJFWSA-N 2 0 241.423 1.968 20 0 BDADRP CCCN(CC)C[C@H](C)[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001577510317 993675265 /nfs/dbraw/zinc/67/52/65/993675265.db2.gz KCEOTHWGZWJGAS-AHPWVWPOSA-N 2 0 239.407 1.576 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)NCC1(C[NH3+])CCC1 ZINC001577510664 993676903 /nfs/dbraw/zinc/67/69/03/993676903.db2.gz XWHALERYVXCTIT-ZDUSSCGKSA-N 2 0 241.423 1.825 20 0 BDADRP CCC[N@@H+]1CCC[C@H]1CNC[C@@H]([NH3+])CC(F)F ZINC001577536527 993680694 /nfs/dbraw/zinc/68/06/94/993680694.db2.gz XWQIXYFXCWJLDA-QWRGUYRKSA-N 2 0 249.349 1.433 20 0 BDADRP CCCN1CCC[C@H]1C[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001577535508 993681580 /nfs/dbraw/zinc/68/15/80/993681580.db2.gz CZHQWHGCEXCFAG-YIFLHPOLSA-N 2 0 237.391 1.330 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C[C@@H](O)CF ZINC000386157795 993682366 /nfs/dbraw/zinc/68/23/66/993682366.db2.gz VNUDDLSVGHQVAD-RYUDHWBXSA-N 2 0 234.359 1.417 20 0 BDADRP CCC[NH2+][C@@H](C)C(=O)Nc1ccc2c[nH+]cn2c1 ZINC001577555298 993687587 /nfs/dbraw/zinc/68/75/87/993687587.db2.gz YYHXVDGXLRAXOJ-JTQLQIEISA-N 2 0 246.314 1.661 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H](C)O ZINC000386751856 993695037 /nfs/dbraw/zinc/69/50/37/993695037.db2.gz GSNFNXGFECUSOZ-LOWDOPEQSA-N 2 0 226.364 1.362 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CC23CCOCC3)CC1 ZINC000386949234 993698067 /nfs/dbraw/zinc/69/80/67/993698067.db2.gz WHHYMCIRTLGAHW-CHWSQXEVSA-N 2 0 238.375 1.629 20 0 BDADRP CCCn1cncc1C[NH2+][C@H](C)CC[NH3+] ZINC001577624660 993701886 /nfs/dbraw/zinc/70/18/86/993701886.db2.gz FYZKBYVMWIXQFU-SNVBAGLBSA-N 2 0 210.325 1.120 20 0 BDADRP CCN(C)[C@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC001577654776 993708906 /nfs/dbraw/zinc/70/89/06/993708906.db2.gz HDTJDOUTHXBACV-STQMWFEESA-N 2 0 225.380 1.012 20 0 BDADRP CC[N@H+](CCC(=O)OC)C[C@H]1CCCC[NH2+]C1 ZINC001577710931 993718131 /nfs/dbraw/zinc/71/81/31/993718131.db2.gz JFBNPJQLHAGNDK-LBPRGKRZSA-N 2 0 242.363 1.261 20 0 BDADRP CSCC[C@@H](C)[N@@H+]1CCC[C@H]1CN ZINC000388452899 993733278 /nfs/dbraw/zinc/73/32/78/993733278.db2.gz RCOQGGBONMFGDU-ZJUUUORDSA-N 2 0 202.367 1.551 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)[C@@H]1CCCOC1 ZINC000389045293 993740093 /nfs/dbraw/zinc/74/00/93/993740093.db2.gz IBBBNCFDRLICSR-RWMBFGLXSA-N 2 0 226.364 1.391 20 0 BDADRP [NH3+]C[C@H]1CCCC[N@H+](Cc2cccnc2)C1 ZINC000390513936 993793311 /nfs/dbraw/zinc/79/33/11/993793311.db2.gz CYRYYNCXXQYGLD-GFCCVEGCSA-N 2 0 219.332 1.642 20 0 BDADRP C[NH+](C)C1CCC([NH2+]CC(C)(C)CO)CC1 ZINC000390548801 993797105 /nfs/dbraw/zinc/79/71/05/993797105.db2.gz NVDKKXYFUFGBTC-UHFFFAOYSA-N 2 0 228.380 1.467 20 0 BDADRP [NH3+]C[C@H]1CCCN1C1CC[NH+](C2CC2)CC1 ZINC000390615975 993800766 /nfs/dbraw/zinc/80/07/66/993800766.db2.gz CXQAQFXHIWWIFA-CYBMUJFWSA-N 2 0 223.364 1.036 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccc(=O)[nH]c2)CC1 ZINC000392765773 993882092 /nfs/dbraw/zinc/88/20/92/993882092.db2.gz SPWYAKUIPSXKPP-LBPRGKRZSA-N 2 0 235.331 1.361 20 0 BDADRP C[N@H+]1CC=C(C[NH2+]CC2(O)CCCCC2)CC1 ZINC000392877226 993887813 /nfs/dbraw/zinc/88/78/13/993887813.db2.gz QIUBYZIXGGNQHV-UHFFFAOYSA-N 2 0 238.375 1.533 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH+]2CC[C@@](C)(CO)C2)C1 ZINC000702110315 993966437 /nfs/dbraw/zinc/96/64/37/993966437.db2.gz UFRCEXHADDUAAJ-CHWSQXEVSA-N 2 0 226.364 1.033 20 0 BDADRP CC[C@H](C(=O)NCC[C@@H](C)[NH2+]C(C)C)[NH+](C)C ZINC001266156249 994050795 /nfs/dbraw/zinc/05/07/95/994050795.db2.gz XSAASABKMQFYBN-VXGBXAGGSA-N 2 0 243.395 1.219 20 0 BDADRP COC[C@H]1CCC[N@@H+]1Cc1cnc(C)[nH]1 ZINC000724784990 994077199 /nfs/dbraw/zinc/07/71/99/994077199.db2.gz YCUGCUQHUVSWET-LLVKDONJSA-N 2 0 209.293 1.329 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000230464195 398142419 /nfs/dbraw/zinc/14/24/19/398142419.db2.gz KIDRBXFJROLEMH-FRRDWIJNSA-N 2 0 228.380 1.643 20 0 BDADRP C[C@H]([NH2+]Cc1ccc2c[nH+]cn2c1)[C@@H]1CCOC1 ZINC000297517932 398145282 /nfs/dbraw/zinc/14/52/82/398145282.db2.gz MVQMVYHLBDRBFR-WCQYABFASA-N 2 0 245.326 1.849 20 0 BDADRP Cc1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)ccc1F ZINC000050559351 178000320 /nfs/dbraw/zinc/00/03/20/178000320.db2.gz UCLMXWDMFRCJBB-LBPRGKRZSA-N 2 0 222.307 1.915 20 0 BDADRP COC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000422939741 398158371 /nfs/dbraw/zinc/15/83/71/398158371.db2.gz RNRJZSUDMKAEQG-UHTWSYAYSA-N 2 0 226.364 1.389 20 0 BDADRP Cc1cc(C[NH2+]CC2CC[NH+](C)CC2)no1 ZINC000054243749 178021315 /nfs/dbraw/zinc/02/13/15/178021315.db2.gz IVOCRHDIAAGOFZ-UHFFFAOYSA-N 2 0 223.320 1.414 20 0 BDADRP CCC[N@H+](C[C@H](O)C[NH+](C)C(C)C)CC1CC1 ZINC000380077851 398183518 /nfs/dbraw/zinc/18/35/18/398183518.db2.gz ROJYELYAWCSJLO-CQSZACIVSA-N 2 0 242.407 1.810 20 0 BDADRP C[C@H](CC[NH2+][C@@H]1CCN(C)[C@H](C)C1)[S@](C)=O ZINC000161898569 349513332 /nfs/dbraw/zinc/51/33/32/349513332.db2.gz YDJCQNPTLOHEHJ-DSZLRUIBSA-N 2 0 246.420 1.216 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCc3cn[nH]c3)C[C@H]21 ZINC000379746316 398164129 /nfs/dbraw/zinc/16/41/29/398164129.db2.gz BWXGSPNMMFCIMZ-JHJVBQTASA-N 2 0 234.347 1.011 20 0 BDADRP Nc1cccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000342083906 398188084 /nfs/dbraw/zinc/18/80/84/398188084.db2.gz LCIKNKAGNJSAML-QEJZJMRPSA-N 2 0 245.370 1.828 20 0 BDADRP Cc1cc(N2CC[C@]3(C2)CCC[N@@H+](C)C3)ncn1 ZINC000338748564 178117636 /nfs/dbraw/zinc/11/76/36/178117636.db2.gz WTMLRNODCIZSHB-CQSZACIVSA-N 2 0 246.358 1.707 20 0 BDADRP Cc1cc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc[nH+]1 ZINC000278875997 178120685 /nfs/dbraw/zinc/12/06/85/178120685.db2.gz ZUZZKHDYXANLGS-TXEJJXNPSA-N 2 0 217.316 1.388 20 0 BDADRP Cn1c2ccccc2nc1CC[N@H+](C)CCC[NH3+] ZINC000649410149 398209353 /nfs/dbraw/zinc/20/93/53/398209353.db2.gz UDOTTZJNYPHDAE-UHFFFAOYSA-N 2 0 246.358 1.396 20 0 BDADRP Cc1cc(C)n(CC[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000386777392 398219729 /nfs/dbraw/zinc/21/97/29/398219729.db2.gz LMUGTOIPWIKYSH-CQSZACIVSA-N 2 0 248.374 1.185 20 0 BDADRP Cc1cc(C)n(CC[NH+]2CCC(C)([NH3+])CC2)n1 ZINC000649416129 398216276 /nfs/dbraw/zinc/21/62/76/398216276.db2.gz QVPJSRXVCDYLCB-UHFFFAOYSA-N 2 0 236.363 1.313 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1C ZINC000380980433 398216451 /nfs/dbraw/zinc/21/64/51/398216451.db2.gz CHGXLPNFZFJTGS-OLZOCXBDSA-N 2 0 228.380 1.562 20 0 BDADRP Cc1cc(NCCCC[NH+]2CCOCC2)cc[nH+]1 ZINC000274366641 178159887 /nfs/dbraw/zinc/15/98/87/178159887.db2.gz OZOFNABQTSPBEK-UHFFFAOYSA-N 2 0 249.358 1.914 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H](C)C[NH3+])cc1 ZINC000576389167 365582488 /nfs/dbraw/zinc/58/24/88/365582488.db2.gz NJUZIJOOTPACQT-DTWKUNHWSA-N 2 0 221.304 1.240 20 0 BDADRP C[C@@H](CC[NH3+])NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000576397744 365585075 /nfs/dbraw/zinc/58/50/75/365585075.db2.gz JSZMCHRIOZFATR-NSHDSACASA-N 2 0 249.358 1.215 20 0 BDADRP COCCCCC[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430557202 398228363 /nfs/dbraw/zinc/22/83/63/398228363.db2.gz SBOGVXAWMLFLSY-QWHCGFSZSA-N 2 0 228.380 1.862 20 0 BDADRP C[C@H](C[C@H](C)O)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000164543830 538933655 /nfs/dbraw/zinc/93/36/55/538933655.db2.gz SZAUHUWMYURTBG-WOPDTQHZSA-N 2 0 228.380 1.466 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000191896545 361817842 /nfs/dbraw/zinc/81/78/42/361817842.db2.gz SHRYXKAOLIKRGR-OLZOCXBDSA-N 2 0 228.380 1.279 20 0 BDADRP CC[N@@H+]1CCC[C@H]1CN[C@H]1CCC[NH2+]CC1 ZINC000252786298 136226806 /nfs/dbraw/zinc/22/68/06/136226806.db2.gz POGIJXCSSGIMQV-STQMWFEESA-N 2 0 225.380 1.202 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CCCOC[C@H]1CCCO1 ZINC000336714698 398241264 /nfs/dbraw/zinc/24/12/64/398241264.db2.gz PHMCMNLFBYKHAB-CHWSQXEVSA-N 2 0 244.379 1.289 20 0 BDADRP C[C@H]1CCCC[C@H]1C[NH2+]CCOCC[NH+](C)C ZINC000349190568 398245284 /nfs/dbraw/zinc/24/52/84/398245284.db2.gz KPSBWUCOOOKEQF-KBPBESRZSA-N 2 0 242.407 1.981 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc(C[NH3+])cc1 ZINC000576594062 365634946 /nfs/dbraw/zinc/63/49/46/365634946.db2.gz DNWMFBKCUIUBRY-MFKMUULPSA-N 2 0 247.342 1.097 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000576634738 365643298 /nfs/dbraw/zinc/64/32/98/365643298.db2.gz FKIRRCOYGFFNNO-MFKMUULPSA-N 2 0 241.379 1.090 20 0 BDADRP C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)[C@H](C)[NH3+] ZINC000576701958 365663523 /nfs/dbraw/zinc/66/35/23/365663523.db2.gz QBMVRXWMDZHMNN-WDEREUQCSA-N 2 0 249.358 1.214 20 0 BDADRP CC[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@H]1CCOC1 ZINC000344330988 365683808 /nfs/dbraw/zinc/68/38/08/365683808.db2.gz OIQVDRRYAOOOLT-UONOGXRCSA-N 2 0 238.375 1.653 20 0 BDADRP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000180094988 538957418 /nfs/dbraw/zinc/95/74/18/538957418.db2.gz VJEMVTGJPKFKFR-JQWIXIFHSA-N 2 0 248.374 1.853 20 0 BDADRP C[C@@H](CO)C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000650513235 398275994 /nfs/dbraw/zinc/27/59/94/398275994.db2.gz NMLXNICTBBGOPS-LBPRGKRZSA-N 2 0 240.391 1.326 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](Cc2cncs2)CC1 ZINC000166659550 361854892 /nfs/dbraw/zinc/85/48/92/361854892.db2.gz AAMRTYJAIAWMGZ-VIFPVBQESA-N 2 0 225.361 1.702 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCOC1 ZINC000165715760 361844579 /nfs/dbraw/zinc/84/45/79/361844579.db2.gz NDQKJRJJEWNJAQ-NSHDSACASA-N 2 0 200.326 1.095 20 0 BDADRP CN1CCC[C@H]1C[NH2+]CCC1CCOCC1 ZINC000381865125 398280563 /nfs/dbraw/zinc/28/05/63/398280563.db2.gz XDWLOZNKWBMMTE-ZDUSSCGKSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@H]1CC[N@H+](Cc2cccc(N)c2)C[C@@H]1C[NH3+] ZINC000335610919 136237098 /nfs/dbraw/zinc/23/70/98/136237098.db2.gz HCAXYXNUHMOGFA-AAEUAGOBSA-N 2 0 233.359 1.686 20 0 BDADRP CC[C@]1(C(=O)N[C@H](C)CCCC[NH3+])CCC[NH2+]1 ZINC000494670314 529387481 /nfs/dbraw/zinc/38/74/81/529387481.db2.gz DZAFMCPIKIWNOL-DGCLKSJQSA-N 2 0 241.379 1.152 20 0 BDADRP C[C@H]([NH2+]Cc1nccs1)C1CC[NH+](C)CC1 ZINC000041012494 538973898 /nfs/dbraw/zinc/97/38/98/538973898.db2.gz PWUZBGRYPXYUJX-JTQLQIEISA-N 2 0 239.388 1.963 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(O)cc1 ZINC000049551668 539008969 /nfs/dbraw/zinc/00/89/69/539008969.db2.gz ARTSPSUTGWBTIG-NSHDSACASA-N 2 0 222.332 1.822 20 0 BDADRP C[C@H]1CC[NH2+]C[C@H]1NCC1([NH3+])CCCCC1 ZINC000335626294 136240622 /nfs/dbraw/zinc/24/06/22/136240622.db2.gz VTHRSQKFXJGYLE-NWDGAFQWSA-N 2 0 225.380 1.236 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+]CCC1CCOCC1 ZINC000390175486 539020393 /nfs/dbraw/zinc/02/03/93/539020393.db2.gz IBNSXUARAFRBDC-LBPRGKRZSA-N 2 0 228.380 1.733 20 0 BDADRP CC(C)OCCC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000166370543 398296820 /nfs/dbraw/zinc/29/68/20/398296820.db2.gz BCQBUUXAKQUQPI-STQMWFEESA-N 2 0 228.380 1.731 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)[C@H]1CCCO1 ZINC000251657089 398299623 /nfs/dbraw/zinc/29/96/23/398299623.db2.gz TZMGSMIXXJDWHF-SDDRHHMPSA-N 2 0 212.337 1.143 20 0 BDADRP CO[C@@H](C[NH2+]C[C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000382156173 398307916 /nfs/dbraw/zinc/30/79/16/398307916.db2.gz RILCYBSFLDJYGJ-AAEUAGOBSA-N 2 0 226.364 1.343 20 0 BDADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(=O)[nH]c2)CC1 ZINC000631108460 342857224 /nfs/dbraw/zinc/85/72/24/342857224.db2.gz PLGHDHCILLLBOZ-UHFFFAOYSA-N 2 0 233.315 1.139 20 0 BDADRP COC[C@H](C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000037209123 398311583 /nfs/dbraw/zinc/31/15/83/398311583.db2.gz YEHJMYFFDBPKJQ-WDEREUQCSA-N 2 0 214.353 1.341 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](CO)C2CCCC2)C1 ZINC000385999955 342895792 /nfs/dbraw/zinc/89/57/92/342895792.db2.gz KKTAIUASODTSBX-FRRDWIJNSA-N 2 0 226.364 1.397 20 0 BDADRP Cc1n[nH]c(C)c1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000336478597 398319749 /nfs/dbraw/zinc/31/97/49/398319749.db2.gz UAHBIARNEINHPW-CABZTGNLSA-N 2 0 236.363 1.586 20 0 BDADRP CC[NH+]1CCC(C[NH2+]C2CCC(O)CC2)CC1 ZINC000233977022 342916143 /nfs/dbraw/zinc/91/61/43/342916143.db2.gz LVRJDAIOOFCTCY-UHFFFAOYSA-N 2 0 240.391 1.611 20 0 BDADRP CC[C@H](CSC)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400493562 529415504 /nfs/dbraw/zinc/41/55/04/529415504.db2.gz DAZBXTIJMIMIDN-MXWKQRLJSA-N 2 0 216.394 1.858 20 0 BDADRP C[N@H+](CCN1CC[NH2+]CC1)Cc1ccsc1 ZINC000037482583 398328324 /nfs/dbraw/zinc/32/83/24/398328324.db2.gz VEDRADRRMPIGRS-UHFFFAOYSA-N 2 0 239.388 1.085 20 0 BDADRP C[NH2+]C1CC[NH+](CCCCCF)CC1 ZINC000308561867 346883747 /nfs/dbraw/zinc/88/37/47/346883747.db2.gz WIZMQEJTCPEUBH-UHFFFAOYSA-N 2 0 202.317 1.810 20 0 BDADRP NCc1noc(CCc2nc3ccccc3[nH]2)n1 ZINC000564958064 398331354 /nfs/dbraw/zinc/33/13/54/398331354.db2.gz IAMMBCSCVCHDLO-UHFFFAOYSA-N 2 0 243.270 1.190 20 0 BDADRP CC(C)C[C@@H](C)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313354098 259334013 /nfs/dbraw/zinc/33/40/13/259334013.db2.gz QARRZMCEJUKDFR-CHWSQXEVSA-N 2 0 228.380 1.718 20 0 BDADRP c1csc(C[NH2+]CC[C@H]2CCC[NH2+]2)c1 ZINC000042172231 342995466 /nfs/dbraw/zinc/99/54/66/342995466.db2.gz IDHVAUXIIITHOB-SNVBAGLBSA-N 2 0 210.346 1.980 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H](CO)C2CCCCC2)C1 ZINC000386308355 343016478 /nfs/dbraw/zinc/01/64/78/343016478.db2.gz WLTSFYKIYVRRHS-MGPQQGTHSA-N 2 0 240.391 1.787 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](CO)C2CCCCC2)C1 ZINC000386308357 343016534 /nfs/dbraw/zinc/01/65/34/343016534.db2.gz WLTSFYKIYVRRHS-RDBSUJKOSA-N 2 0 240.391 1.787 20 0 BDADRP Nc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000335906771 136260927 /nfs/dbraw/zinc/26/09/27/136260927.db2.gz XSIXBNJVPBKGDY-JSGCOSHPSA-N 2 0 231.343 1.453 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)[C@]1(CC)CCC[NH2+]1 ZINC000134369411 168417892 /nfs/dbraw/zinc/41/78/92/168417892.db2.gz WCJRQWUMSFFITJ-ZDUSSCGKSA-N 2 0 241.379 1.152 20 0 BDADRP COC[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000398144597 343071624 /nfs/dbraw/zinc/07/16/24/343071624.db2.gz XEUJNFWUOHZVNX-WXHSDQCUSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@H](CCO)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000224330295 259348026 /nfs/dbraw/zinc/34/80/26/259348026.db2.gz GPBHNMJSLRAQOT-GRYCIOLGSA-N 2 0 214.353 1.077 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCOCC(F)F)C1 ZINC000236328909 343091502 /nfs/dbraw/zinc/09/15/02/343091502.db2.gz XTJXZXAHMCGNOP-IUCAKERBSA-N 2 0 222.279 1.128 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCOCC(F)F)C1 ZINC000236318967 343091515 /nfs/dbraw/zinc/09/15/15/343091515.db2.gz XTJXZXAHMCGNOP-DTWKUNHWSA-N 2 0 222.279 1.128 20 0 BDADRP CC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCCCCC1 ZINC000237048328 343121747 /nfs/dbraw/zinc/12/17/47/343121747.db2.gz YHRRNHBNFJRSIZ-GFCCVEGCSA-N 2 0 241.379 1.106 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400456112 529690427 /nfs/dbraw/zinc/69/04/27/529690427.db2.gz SLIDEUBUZWQPLX-GRYCIOLGSA-N 2 0 214.353 1.268 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCCCn2ccnc2)C1 ZINC000093215684 343151359 /nfs/dbraw/zinc/15/13/59/343151359.db2.gz QPHJBRLOVFUCGT-OLZOCXBDSA-N 2 0 236.363 1.523 20 0 BDADRP C[C@@H]1CCC[C@@H](CN2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000122474310 343159667 /nfs/dbraw/zinc/15/96/67/343159667.db2.gz JNIYBUIECVTBHO-MCIONIFRSA-N 2 0 239.407 1.387 20 0 BDADRP C[C@@H](O)[C@H](C)[NH2+]CCC1CC[NH+](C)CC1 ZINC000125164353 343165872 /nfs/dbraw/zinc/16/58/72/343165872.db2.gz YHKRNXPGDIMGAE-WDEREUQCSA-N 2 0 214.353 1.077 20 0 BDADRP Cc1cccnc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000128238366 343174387 /nfs/dbraw/zinc/17/43/87/343174387.db2.gz JLIQCZPZNNKUSC-UHFFFAOYSA-N 2 0 233.359 1.951 20 0 BDADRP C[N@@H+]1CCC[C@@H]2CN(CC(C)(C)[NH3+])CC[C@@H]21 ZINC000088091265 136284198 /nfs/dbraw/zinc/28/41/98/136284198.db2.gz QANFDHHARPRJOT-NEPJUHHUSA-N 2 0 225.380 1.140 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCCC[C@H]2[NH3+])O1 ZINC000634688023 343245441 /nfs/dbraw/zinc/24/54/41/343245441.db2.gz FUZKZHXYPDVOSE-WRWGMCAJSA-N 2 0 212.337 1.413 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000634685633 343223858 /nfs/dbraw/zinc/22/38/58/343223858.db2.gz RJEHNOZBIFJQPU-RWMBFGLXSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@H]1COCC[C@@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000297572831 136291005 /nfs/dbraw/zinc/29/10/05/136291005.db2.gz RIMDPOLHUVULIJ-FZMZJTMJSA-N 2 0 245.326 1.849 20 0 BDADRP c1[nH+]cn2cc(C[NH2+][C@@H]3CCSC3)ccc12 ZINC000297579375 136291228 /nfs/dbraw/zinc/29/12/28/136291228.db2.gz RZBXOEYWXHPMFX-LLVKDONJSA-N 2 0 233.340 1.929 20 0 BDADRP Cc1nccn1CCC[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000348757021 136297193 /nfs/dbraw/zinc/29/71/93/136297193.db2.gz SLPZSTJSJRYDPJ-AAEUAGOBSA-N 2 0 236.363 1.251 20 0 BDADRP CC[NH+](CC)Cc1cccc(NC(=O)CC[NH3+])c1 ZINC000037042943 343331872 /nfs/dbraw/zinc/33/18/72/343331872.db2.gz NIQLNLDFPOOTDF-UHFFFAOYSA-N 2 0 249.358 1.816 20 0 BDADRP C[NH+](C)Cc1cccc(NC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000035254901 343291108 /nfs/dbraw/zinc/29/11/08/343291108.db2.gz YCXOXIHQOURDBM-CYBMUJFWSA-N 2 0 247.342 1.439 20 0 BDADRP [NH3+]C1(C(=O)Nc2ccc3c(c2)C[NH2+]C3)CCC1 ZINC000335652702 136305470 /nfs/dbraw/zinc/30/54/70/136305470.db2.gz AAEMHVXMVWRGLO-UHFFFAOYSA-N 2 0 231.299 1.110 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]C2CCC([NH3+])CC2)[C@H](C)C1 ZINC000335675819 136318706 /nfs/dbraw/zinc/31/87/06/136318706.db2.gz PSLZWCZWKASMAT-BLYZHGLHSA-N 3 0 239.407 1.576 20 0 BDADRP CC(C)CN(CCC[NH+](C)C)CCC[NH+](C)C ZINC000348937861 136309352 /nfs/dbraw/zinc/30/93/52/136309352.db2.gz WLZBJQPGYHOZRY-UHFFFAOYSA-N 2 0 243.439 1.848 20 0 BDADRP CC(C)[C@H](C(=O)N[C@H](C)CC[NH+](C)C)[NH+](C)C ZINC000349147381 136325875 /nfs/dbraw/zinc/32/58/75/136325875.db2.gz XMTPYTLGZOJBCW-VXGBXAGGSA-N 2 0 243.395 1.029 20 0 BDADRP CC(C)c1ccc(C[N@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000258748482 136373777 /nfs/dbraw/zinc/37/37/77/136373777.db2.gz ABCIZYXGXAMYEV-CQSZACIVSA-N 2 0 236.359 1.561 20 0 BDADRP C(C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)C1CCC1 ZINC000398610765 488220435 /nfs/dbraw/zinc/22/04/35/488220435.db2.gz AVLOGCHNSZCMSH-ZDUSSCGKSA-N 2 0 208.349 1.862 20 0 BDADRP CSCCC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602894652 349811780 /nfs/dbraw/zinc/81/17/80/349811780.db2.gz YQGHIYNAGCNBNQ-GFCCVEGCSA-N 2 0 246.420 1.128 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+]CCC[NH3+])C1(C)C ZINC000082922848 343471187 /nfs/dbraw/zinc/47/11/87/343471187.db2.gz SSAFJJMYJKYNKU-ZJUUUORDSA-N 2 0 200.326 1.128 20 0 BDADRP [NH3+]CCN1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC000616654808 343531406 /nfs/dbraw/zinc/53/14/06/343531406.db2.gz QQGOXZOSUKBGBA-GFCCVEGCSA-N 2 0 239.750 1.245 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000394061578 343711571 /nfs/dbraw/zinc/71/15/71/343711571.db2.gz ZHDPBSNKSNOPMB-RYUDHWBXSA-N 2 0 216.369 1.358 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621666694 343712473 /nfs/dbraw/zinc/71/24/73/343712473.db2.gz RFSGTLPMFVFMSD-TUAOUCFPSA-N 2 0 241.379 1.008 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCOCC1CCC1 ZINC000570389081 323058129 /nfs/dbraw/zinc/05/81/29/323058129.db2.gz OWHCBUHZWOMDQV-STQMWFEESA-N 2 0 226.364 1.520 20 0 BDADRP CC(C)[C@H]1CC[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000336662372 537818476 /nfs/dbraw/zinc/81/84/76/537818476.db2.gz KFYYPKHPFZBGOF-OLZOCXBDSA-N 2 0 228.380 1.589 20 0 BDADRP C[N@H+](C[C@@H]1CCCCO1)CC(C)(C)C[NH3+] ZINC000051251040 347005836 /nfs/dbraw/zinc/00/58/36/347005836.db2.gz AZBNJMXNZYUBMW-NSHDSACASA-N 2 0 214.353 1.472 20 0 BDADRP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)ccn1 ZINC000621775087 343898200 /nfs/dbraw/zinc/89/82/00/343898200.db2.gz FXCFZMPUZLEJBK-DGCLKSJQSA-N 2 0 219.332 1.559 20 0 BDADRP CCC(C)(C)CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000634725086 343945487 /nfs/dbraw/zinc/94/54/87/343945487.db2.gz HBTCIFGRAVVFAF-CYBMUJFWSA-N 2 0 242.407 1.859 20 0 BDADRP CC(C)C[NH+]1CCN(c2ccncc2F)CC1 ZINC000641257548 362333827 /nfs/dbraw/zinc/33/38/27/362333827.db2.gz ARNMIKKJRJJKAZ-UHFFFAOYSA-N 2 0 237.322 1.999 20 0 BDADRP Cn1ccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000634733221 344113129 /nfs/dbraw/zinc/11/31/29/344113129.db2.gz ACCRPTMJRYJVCH-ZDUSSCGKSA-N 2 0 235.375 1.893 20 0 BDADRP CC(C)(C)[NH2+]CCN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733837 344114603 /nfs/dbraw/zinc/11/46/03/344114603.db2.gz PKGDKPKCEQKVDV-LBPRGKRZSA-N 2 0 241.423 1.742 20 0 BDADRP [NH3+][C@H]1CCC[C@@H](NCCC[NH+]2CCCC2)C1 ZINC000086402313 344216723 /nfs/dbraw/zinc/21/67/23/344216723.db2.gz GEUWIUCEQLKVGE-QWHCGFSZSA-N 3 0 225.380 1.332 20 0 BDADRP COC[C@H](C)[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000131865110 344237412 /nfs/dbraw/zinc/23/74/12/344237412.db2.gz SVFJZINEDADOHW-HBNTYKKESA-N 2 0 212.337 1.236 20 0 BDADRP CCC[C@H]([NH3+])C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000037001331 344485205 /nfs/dbraw/zinc/48/52/05/344485205.db2.gz JTMOWPVPXGWPLH-RYUDHWBXSA-N 2 0 243.395 1.206 20 0 BDADRP CC(C)OC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000381312328 344495181 /nfs/dbraw/zinc/49/51/81/344495181.db2.gz LXQJQXWPKQWJMG-OLZOCXBDSA-N 2 0 228.380 1.731 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@H](C)CCOC ZINC000045017824 344554499 /nfs/dbraw/zinc/55/44/99/344554499.db2.gz HHEGTLFBCBFWBF-GFCCVEGCSA-N 2 0 216.369 1.733 20 0 BDADRP C[NH2+]CC1CC[NH+](Cc2ccc(OC)nc2)CC1 ZINC000158317680 344595110 /nfs/dbraw/zinc/59/51/10/344595110.db2.gz GVZGWQOWTRBKSR-UHFFFAOYSA-N 2 0 249.358 1.522 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](C[C@@H]2CCCC[C@@H]2O)C1 ZINC000382030638 347073634 /nfs/dbraw/zinc/07/36/34/347073634.db2.gz DGEJQYLXLBRLEN-RWMBFGLXSA-N 2 0 226.364 1.208 20 0 BDADRP COCC1([NH2+][C@H](C)CCCC[NH3+])CC1 ZINC000521026850 259380040 /nfs/dbraw/zinc/38/00/40/259380040.db2.gz WSXOHWBFBDIZBQ-SNVBAGLBSA-N 2 0 200.326 1.273 20 0 BDADRP CO[C@H]1CCC[C@H]([NH2+]CCOCC[NH+](C)C)C1 ZINC000234796893 537875534 /nfs/dbraw/zinc/87/55/34/537875534.db2.gz ZKHYSUYSCUDEHC-STQMWFEESA-N 2 0 244.379 1.112 20 0 BDADRP c1[nH]nc2cccc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)c12 ZINC000628191541 344945591 /nfs/dbraw/zinc/94/55/91/344945591.db2.gz NYWCAPDFLXSNBA-RYUDHWBXSA-N 2 0 242.326 1.214 20 0 BDADRP Cc1ncc(CNC[C@@H]2CC[N@@H+](C3CC3)C2)o1 ZINC000628202118 344976196 /nfs/dbraw/zinc/97/61/96/344976196.db2.gz HNKBFIBQCBPDCJ-NSHDSACASA-N 2 0 235.331 1.557 20 0 BDADRP CC[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)C1CC1 ZINC000155110760 345070510 /nfs/dbraw/zinc/07/05/10/345070510.db2.gz BTJKNZRYMSFFTJ-TZMCWYRMSA-N 2 0 239.407 1.401 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156074973 345123355 /nfs/dbraw/zinc/12/33/55/345123355.db2.gz DZQUXGUXGJWKFP-UONOGXRCSA-N 3 0 239.407 1.545 20 0 BDADRP CC(C)[C@H]([NH3+])CCNC[C@H](C[NH3+])C(C)C ZINC000634996606 345189699 /nfs/dbraw/zinc/18/96/99/345189699.db2.gz PEBRTNNOTJPJAA-NWDGAFQWSA-N 2 0 215.385 1.180 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCOCc1ccccc1 ZINC000390231659 259383282 /nfs/dbraw/zinc/38/32/82/259383282.db2.gz HPEZCYLLVQGAEB-GJZGRUSLSA-N 2 0 248.370 1.920 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1C ZINC000156555184 345175580 /nfs/dbraw/zinc/17/55/80/345175580.db2.gz JDNMREHDHUXTKN-KPWCQOOUSA-N 3 0 239.407 1.541 20 0 BDADRP CN(C[C@H]1CCC[N@H+](C)C1)CC12CC(C1)C[NH2+]2 ZINC000634992125 345179732 /nfs/dbraw/zinc/17/97/32/345179732.db2.gz FELIANYGQOWJCX-HSBZDZAISA-N 2 0 237.391 1.012 20 0 BDADRP [NH3+][C@H](CNCC12CC(C1)C[NH2+]2)c1ccccc1 ZINC000634994361 345181849 /nfs/dbraw/zinc/18/18/49/345181849.db2.gz AERUCYWFILNBAK-HRDQMINSSA-N 2 0 231.343 1.028 20 0 BDADRP CC(C)[C@H](C[NH3+])CNCC1([NH3+])CCCCCC1 ZINC000634995207 345183234 /nfs/dbraw/zinc/18/32/34/345183234.db2.gz YEFLXCUVWYJORQ-CYBMUJFWSA-N 2 0 241.423 1.859 20 0 BDADRP CCC([NH3+])(CC)CNC[C@@H](C[NH3+])C(C)C ZINC000634995186 345183262 /nfs/dbraw/zinc/18/32/62/345183262.db2.gz XSWSQACUQYMNQZ-LLVKDONJSA-N 2 0 215.385 1.324 20 0 BDADRP CC[NH+]1CCC(C[NH2+]Cc2ccon2)CC1 ZINC000634959010 345132423 /nfs/dbraw/zinc/13/24/23/345132423.db2.gz FQJQKFLQXTYAJV-UHFFFAOYSA-N 2 0 223.320 1.496 20 0 BDADRP C[C@H](CCCO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156154437 345133286 /nfs/dbraw/zinc/13/32/86/345133286.db2.gz INLSAKPEGBTRDC-JHJVBQTASA-N 2 0 226.364 1.364 20 0 BDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000156284018 345141652 /nfs/dbraw/zinc/14/16/52/345141652.db2.gz LHYDIUBINQPDCR-CQSZACIVSA-N 2 0 237.391 1.108 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CCCCC[C@@H]([NH3+])C1 ZINC000634997222 345194492 /nfs/dbraw/zinc/19/44/92/345194492.db2.gz GTNXFTRORNAJDE-OLZOCXBDSA-N 2 0 227.396 1.563 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCCCC[C@H](N)C2)CC[NH2+]1 ZINC000634997210 345194545 /nfs/dbraw/zinc/19/45/45/345194545.db2.gz GDRBQMWEBXMWES-RDBSUJKOSA-N 3 0 239.407 1.578 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCCCC[C@H](N)C2)CC[NH2+]1 ZINC000634997208 345194722 /nfs/dbraw/zinc/19/47/22/345194722.db2.gz GDRBQMWEBXMWES-MCIONIFRSA-N 3 0 239.407 1.578 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCCCC[C@@H](N)C2)CC[NH2+]1 ZINC000634997209 345194822 /nfs/dbraw/zinc/19/48/22/345194822.db2.gz GDRBQMWEBXMWES-MGPQQGTHSA-N 3 0 239.407 1.578 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CCCC23CC3)CC[NH2+]C1 ZINC000634997173 345194902 /nfs/dbraw/zinc/19/49/02/345194902.db2.gz FGCAIXLPXLDGTI-NEPJUHHUSA-N 2 0 208.349 1.908 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCSC2)C[C@H]1C[NH3+] ZINC000634998602 345198159 /nfs/dbraw/zinc/19/81/59/345198159.db2.gz IFVKXWFXJCPTSG-OUAUKWLOSA-N 2 0 214.378 1.266 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cnc3ccccn23)C[C@H]1C[NH3+] ZINC000634998670 345198360 /nfs/dbraw/zinc/19/83/60/345198360.db2.gz JFZBHEKDZQPQFS-VXGBXAGGSA-N 2 0 244.342 1.361 20 0 BDADRP Cc1ncsc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000634999576 345200793 /nfs/dbraw/zinc/20/07/93/345200793.db2.gz WNLWHCNXMNZYSB-WCBMZHEXSA-N 2 0 225.361 1.478 20 0 BDADRP COc1ccccc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000635000149 345201911 /nfs/dbraw/zinc/20/19/11/345201911.db2.gz ICFHSHMHMGJWRE-WCQYABFASA-N 2 0 234.343 1.722 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000635003196 345205303 /nfs/dbraw/zinc/20/53/03/345205303.db2.gz GXPXBIWETGRZRY-UPJWGTAASA-N 2 0 228.380 1.645 20 0 BDADRP CCC[C@@H](CCO)[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000635002888 345205354 /nfs/dbraw/zinc/20/53/54/345205354.db2.gz AWJGELCOKZGMDA-AVGNSLFASA-N 2 0 228.380 1.658 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635003425 345206292 /nfs/dbraw/zinc/20/62/92/345206292.db2.gz DBBNJHJGGJACNY-DDHJBXDOSA-N 3 0 213.369 1.219 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)c2nccn21 ZINC000635004337 345207798 /nfs/dbraw/zinc/20/77/98/345207798.db2.gz HZZJJZWDVMGKDU-LPWJVIDDSA-N 2 0 248.374 1.996 20 0 BDADRP C[C@H]1OCC[C@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635004737 345208689 /nfs/dbraw/zinc/20/86/89/345208689.db2.gz KFMRCFFLZILFBP-DDHJBXDOSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)[C@@H](C)O1 ZINC000635007862 345209172 /nfs/dbraw/zinc/20/91/72/345209172.db2.gz BNQUTHJPYFEJOW-NDBYEHHHSA-N 2 0 240.391 1.920 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000635004970 345209398 /nfs/dbraw/zinc/20/93/98/345209398.db2.gz RRPZYXIZRMQRQK-XJFOESAGSA-N 2 0 240.391 1.515 20 0 BDADRP C[C@@H]1OCC[C@H]1[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635006004 345209916 /nfs/dbraw/zinc/20/99/16/345209916.db2.gz ANTBQOLATXWWQJ-XHDPSFHLSA-N 2 0 246.354 1.599 20 0 BDADRP C[C@H]([NH2+]Cc1cccc2[nH]ccc21)C1C[NH2+]C1 ZINC000635011827 345213870 /nfs/dbraw/zinc/21/38/70/345213870.db2.gz IAGHVDQWORPEMI-JTQLQIEISA-N 2 0 229.327 1.865 20 0 BDADRP FC(F)(F)[C@@H]1C[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000635011824 345213959 /nfs/dbraw/zinc/21/39/59/345213959.db2.gz HZESNLNILTWMFC-VPJKUYQRSA-N 2 0 248.292 1.915 20 0 BDADRP CC[C@@H](COC)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635012079 345214053 /nfs/dbraw/zinc/21/40/53/345214053.db2.gz SZCAVUWGDSPHHK-AWEZNQCLSA-N 2 0 248.370 1.847 20 0 BDADRP C[C@@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)C1CC1 ZINC000635007697 345215340 /nfs/dbraw/zinc/21/53/40/345215340.db2.gz GJBSRRSCZOKPKT-LLVKDONJSA-N 2 0 246.358 1.702 20 0 BDADRP COCCC[C@@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635008837 345216795 /nfs/dbraw/zinc/21/67/95/345216795.db2.gz VSRPWDQNHPFARY-JHJVBQTASA-N 2 0 228.380 1.909 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCCn2nccc21 ZINC000635013434 345218443 /nfs/dbraw/zinc/21/84/43/345218443.db2.gz SQZUTQHEVKIJLT-HBNTYKKESA-N 2 0 222.336 1.433 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCCn2nccc21 ZINC000635013432 345218457 /nfs/dbraw/zinc/21/84/57/345218457.db2.gz SQZUTQHEVKIJLT-DCAQKATOSA-N 2 0 222.336 1.433 20 0 BDADRP CC[C@@H](O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158468885 345336595 /nfs/dbraw/zinc/33/65/95/345336595.db2.gz NETAXUXTSYKSQU-UPJWGTAASA-N 2 0 226.364 1.173 20 0 BDADRP COCCCC[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000158522743 345341659 /nfs/dbraw/zinc/34/16/59/345341659.db2.gz FYFNDIISHNPASG-NWDGAFQWSA-N 2 0 214.353 1.472 20 0 BDADRP COCCCC[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000158523142 345344461 /nfs/dbraw/zinc/34/44/61/345344461.db2.gz FYFNDIISHNPASG-NEPJUHHUSA-N 2 0 214.353 1.472 20 0 BDADRP OCCCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000229107247 345438386 /nfs/dbraw/zinc/43/83/86/345438386.db2.gz WNMLGVMIACJEGE-MJBXVCDLSA-N 2 0 240.391 1.659 20 0 BDADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCC1([NH3+])CCC1 ZINC000449179348 201827972 /nfs/dbraw/zinc/82/79/72/201827972.db2.gz VPYIABOURMNADI-JTQLQIEISA-N 2 0 241.379 1.008 20 0 BDADRP CCOC(=O)[C@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000111824745 345690953 /nfs/dbraw/zinc/69/09/53/345690953.db2.gz LLYZJXKIGCUSRY-GFCCVEGCSA-N 2 0 240.347 1.014 20 0 BDADRP CN(CC[NH3+])Cc1c[nH]nc1-c1ccccc1F ZINC000221189561 345746955 /nfs/dbraw/zinc/74/69/55/345746955.db2.gz PBWGJQBQSHUAOF-UHFFFAOYSA-N 2 0 248.305 1.606 20 0 BDADRP C[NH2+]CCNC1CC[NH+](Cc2ccccc2)CC1 ZINC000147900944 345718553 /nfs/dbraw/zinc/71/85/53/345718553.db2.gz AYACOHNMPIZEES-UHFFFAOYSA-N 2 0 247.386 1.460 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CNCCN1C)c1ccccc1 ZINC000211137036 345737507 /nfs/dbraw/zinc/73/75/07/345737507.db2.gz MGWDLHWQGYKORO-TZMCWYRMSA-N 2 0 233.359 1.241 20 0 BDADRP CCOCCCN1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000070584493 345788699 /nfs/dbraw/zinc/78/86/99/345788699.db2.gz NCMGMTOKKUDXCV-CYBMUJFWSA-N 2 0 228.380 1.875 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H](OC)C2)C1 ZINC000250346120 537920921 /nfs/dbraw/zinc/92/09/21/537920921.db2.gz QLNCLPXQOMMNJI-RDBSUJKOSA-N 2 0 240.391 1.875 20 0 BDADRP CCC[NH+]1CCC([NH2+]C2(CO)CCCC2)CC1 ZINC000236776491 537923256 /nfs/dbraw/zinc/92/32/56/537923256.db2.gz GBQYJVHSOZVKHL-UHFFFAOYSA-N 2 0 240.391 1.756 20 0 BDADRP Cc1ccc(CC[NH2+]C2CC[NH2+]CC2)cc1 ZINC000146982752 345993663 /nfs/dbraw/zinc/99/36/63/345993663.db2.gz UOAYALWARYOYQK-UHFFFAOYSA-N 2 0 218.344 1.879 20 0 BDADRP CC[C@@H](O)C[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC000192604577 346092938 /nfs/dbraw/zinc/09/29/38/346092938.db2.gz AAKHIQLCAQPMSZ-CYBMUJFWSA-N 2 0 249.358 1.283 20 0 BDADRP CS[C@H](C)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401115607 346212178 /nfs/dbraw/zinc/21/21/78/346212178.db2.gz HYVXSCJSZUKNHX-DDHJBXDOSA-N 2 0 228.405 1.716 20 0 BDADRP COC(=O)CCCC[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000603427318 349950239 /nfs/dbraw/zinc/95/02/39/349950239.db2.gz COJSOLXVRHBKQX-UWVGGRQHSA-N 2 0 228.336 1.045 20 0 BDADRP CCO[C@H]1C[C@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000574911027 346409680 /nfs/dbraw/zinc/40/96/80/346409680.db2.gz PSDIFYDLIWOOBE-HCWSGVFWSA-N 2 0 212.337 1.271 20 0 BDADRP CCO[C@@H]1C[C@@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000574911029 346409493 /nfs/dbraw/zinc/40/94/93/346409493.db2.gz PSDIFYDLIWOOBE-MMVSWEMESA-N 2 0 212.337 1.271 20 0 BDADRP CCN1CCC[C@@H]([NH2+]C[C@H]2CCSC2)C1 ZINC000300235061 346422098 /nfs/dbraw/zinc/42/20/98/346422098.db2.gz YEHUDUVTSIONAI-VXGBXAGGSA-N 2 0 228.405 1.813 20 0 BDADRP CCC[NH2+][C@@H](C)c1nc(C[C@@H](C)[NH2+]C)no1 ZINC000575058545 346465909 /nfs/dbraw/zinc/46/59/09/346465909.db2.gz HSUMHKBGNOPCBL-BDAKNGLRSA-N 2 0 226.324 1.281 20 0 BDADRP C[C@@H](O)[C@H](C)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000580829355 346473231 /nfs/dbraw/zinc/47/32/31/346473231.db2.gz AEOUIGPDYCSBTA-NWDGAFQWSA-N 2 0 228.380 1.467 20 0 BDADRP Cn1cncc1CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000641800708 362752313 /nfs/dbraw/zinc/75/23/13/362752313.db2.gz DFFBAXNFRPRBET-OCCSQVGLSA-N 3 0 248.374 1.037 20 0 BDADRP CO[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)C1CCC1 ZINC000641801550 362756051 /nfs/dbraw/zinc/75/60/51/362756051.db2.gz SEWCYTHWHNMICC-UTUOFQBUSA-N 2 0 226.364 1.517 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)C1CCC1 ZINC000641801549 362756657 /nfs/dbraw/zinc/75/66/57/362756657.db2.gz SEWCYTHWHNMICC-IJLUTSLNSA-N 2 0 226.364 1.517 20 0 BDADRP CC[NH2+]CCC[NH2+]C1CCC(COC)CC1 ZINC000580062517 346502172 /nfs/dbraw/zinc/50/21/72/346502172.db2.gz QXAYKRMSZONTNF-UHFFFAOYSA-N 2 0 228.380 1.781 20 0 BDADRP CSCC[C@H](C)[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000158593869 346608243 /nfs/dbraw/zinc/60/82/43/346608243.db2.gz MHYJDWZOSZXQEO-WDEREUQCSA-N 2 0 216.394 1.669 20 0 BDADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)[C@@H]1CCCO1 ZINC000580196705 346652605 /nfs/dbraw/zinc/65/26/05/346652605.db2.gz ZFCWIMFPMBIPKM-RISCZKNCSA-N 2 0 234.343 1.802 20 0 BDADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000580212298 346687464 /nfs/dbraw/zinc/68/74/64/346687464.db2.gz GEEDKHMJGGYPRK-ZDEQEGDKSA-N 2 0 226.364 1.802 20 0 BDADRP COc1ccc(CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107855736 187371787 /nfs/dbraw/zinc/37/17/87/187371787.db2.gz XDQPTXVVZVXLDC-OKILXGFUSA-N 2 0 246.354 1.389 20 0 BDADRP COC[C@H](C)C[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622004610 370656044 /nfs/dbraw/zinc/65/60/44/370656044.db2.gz RERXJAPZHUGGHO-GRYCIOLGSA-N 2 0 212.337 1.082 20 0 BDADRP C[NH2+]C[C@@](C)(O)C[NH+]1CCc2ccccc2CC1 ZINC000582067858 347161735 /nfs/dbraw/zinc/16/17/35/347161735.db2.gz MUHOCHLCITVGPG-OAHLLOKOSA-N 2 0 248.370 1.058 20 0 BDADRP Cc1nccn1CCC[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000580328737 347164197 /nfs/dbraw/zinc/16/41/97/347164197.db2.gz CQWBZFMRAUWLSH-ZDUSSCGKSA-N 2 0 236.363 1.252 20 0 BDADRP COCC1(CC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000580329010 347168415 /nfs/dbraw/zinc/16/84/15/347168415.db2.gz SZGQEAQKYMYNAI-VXGBXAGGSA-N 2 0 226.364 1.520 20 0 BDADRP COC(=O)CCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601334125 347226029 /nfs/dbraw/zinc/22/60/29/347226029.db2.gz IRQAYZHJKYWRBA-VXGBXAGGSA-N 2 0 240.347 1.014 20 0 BDADRP Cc1cccc([C@H](C)[NH2+]C[C@@]2(O)CCN(C)C2)c1 ZINC000358251466 179195785 /nfs/dbraw/zinc/19/57/85/179195785.db2.gz MFVSTBRKOUDHMQ-ZFWWWQNUSA-N 2 0 248.370 1.712 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]CC2CC[NH2+]CC2)C1(C)C ZINC000300629615 347324170 /nfs/dbraw/zinc/32/41/70/347324170.db2.gz IKGJCHDGXDAEOD-QWHCGFSZSA-N 2 0 240.391 1.779 20 0 BDADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCC[C@H]1O ZINC000382384085 347301995 /nfs/dbraw/zinc/30/19/95/347301995.db2.gz KWUKGRHOVGOBNB-MELADBBJSA-N 2 0 240.391 1.741 20 0 BDADRP C[N@H+](CCCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000577231798 365892704 /nfs/dbraw/zinc/89/27/04/365892704.db2.gz RCVBLLSWSCTAOV-OLZOCXBDSA-N 3 0 239.407 1.720 20 0 BDADRP CC[C@@H](C(=O)N1CCC[C@H]1C[NH3+])[NH+](CC)CC ZINC000359431084 187380297 /nfs/dbraw/zinc/38/02/97/187380297.db2.gz TYKLYHCNUSWQNN-RYUDHWBXSA-N 2 0 241.379 1.057 20 0 BDADRP COC(=O)C1CCC([NH2+][C@H](C)C[C@H](C)[NH3+])CC1 ZINC000592438859 347779102 /nfs/dbraw/zinc/77/91/02/347779102.db2.gz QTDMUQFLIOOAAG-DMOGRIERSA-N 2 0 242.363 1.434 20 0 BDADRP CCOC(=O)CC[N@H+](CC1CC1)CC(C)(C)[NH3+] ZINC000592430771 347785625 /nfs/dbraw/zinc/78/56/25/347785625.db2.gz GGWVWSQGTCZDIX-UHFFFAOYSA-N 2 0 242.363 1.389 20 0 BDADRP CC(C)C[C@@H](CNC(=O)CCCC[NH3+])[NH+](C)C ZINC000070203254 349977181 /nfs/dbraw/zinc/97/71/81/349977181.db2.gz CNWFAURBUIWLSO-LBPRGKRZSA-N 2 0 243.395 1.208 20 0 BDADRP CCN1CCC[C@H]([NH2+]C[C@@H]2CCCOC2)C1 ZINC000082581134 347869149 /nfs/dbraw/zinc/86/91/49/347869149.db2.gz OVFRZILARIFVGK-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP CCOC(=O)CC[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000593729073 347937967 /nfs/dbraw/zinc/93/79/67/347937967.db2.gz FFQDETIWYQRYGR-NWDGAFQWSA-N 2 0 242.363 1.389 20 0 BDADRP Cc1ccccc1[C@@H](C)[N@H+](C)CCOCC[NH3+] ZINC000357027189 179318753 /nfs/dbraw/zinc/31/87/53/179318753.db2.gz KKDDLPBBDZANPK-CYBMUJFWSA-N 2 0 236.359 1.963 20 0 BDADRP C[NH+]1CCN(C(C)(C)C[NH2+]CC2CC2)CC1 ZINC000036883845 347955874 /nfs/dbraw/zinc/95/58/74/347955874.db2.gz XLZKBKJXUVUTRJ-UHFFFAOYSA-N 2 0 225.380 1.012 20 0 BDADRP C1C[C@@H]([N@@H+]2C[C@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)CO1 ZINC000371464049 187385275 /nfs/dbraw/zinc/38/52/75/187385275.db2.gz NXWCKYBZTHVKSX-YIYPIFLZSA-N 2 0 236.359 1.191 20 0 BDADRP C[NH+](C)[C@@H](CNC1CC[NH2+]CC1)c1ccccc1 ZINC000038040617 348032715 /nfs/dbraw/zinc/03/27/15/348032715.db2.gz TUWHQBHPMQZSNW-HNNXBMFYSA-N 2 0 247.386 1.631 20 0 BDADRP CCOc1cccc(C[NH2+]C2CC[NH2+]CC2)c1 ZINC000038041462 348038308 /nfs/dbraw/zinc/03/83/08/348038308.db2.gz CBEIFJHVXBJDPC-UHFFFAOYSA-N 2 0 234.343 1.927 20 0 BDADRP CC(C)(O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000304326913 187387490 /nfs/dbraw/zinc/38/74/90/187387490.db2.gz UKZVGZUHFZTIGP-CYBMUJFWSA-N 2 0 240.391 1.708 20 0 BDADRP CC[C@H](C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)OC ZINC000419288403 192118315 /nfs/dbraw/zinc/11/83/15/192118315.db2.gz PNFQDAUKDOYBKZ-KGLIPLIRSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@H](CN[C@H]1CC[N@H+](C)C[C@@H]1C)C[NH+](C)C ZINC000336737789 187393619 /nfs/dbraw/zinc/39/36/19/187393619.db2.gz JRNWDGQNTHPWOD-AGIUHOORSA-N 2 0 227.396 1.114 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1NCCC[NH+]1CCCC1 ZINC000128626519 187395893 /nfs/dbraw/zinc/39/58/93/187395893.db2.gz LDRCCSUBWPXCCT-KBPBESRZSA-N 2 0 239.407 1.402 20 0 BDADRP CCSC1(C[NH2+][C@H](CCC[NH3+])COC)CC1 ZINC000596652961 348606688 /nfs/dbraw/zinc/60/66/88/348606688.db2.gz SBFOBLQSDYBOSS-LLVKDONJSA-N 2 0 246.420 1.616 20 0 BDADRP CSCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000596653047 348606813 /nfs/dbraw/zinc/60/68/13/348606813.db2.gz YZXRTFQVUOTSBZ-GRYCIOLGSA-N 2 0 244.404 1.096 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCSC1)C1CC[NH+](C)CC1 ZINC000222147139 490199540 /nfs/dbraw/zinc/19/95/40/490199540.db2.gz ABQSNKXMXAYKKJ-ZYHUDNBSSA-N 2 0 228.405 1.812 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+]CCCCCO)CC1(C)C ZINC000623510406 362935531 /nfs/dbraw/zinc/93/55/31/362935531.db2.gz WJDOGIAXWJRPII-GFCCVEGCSA-N 2 0 228.380 1.611 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCC[C@@H]2CO)CC1(C)C ZINC000628301718 349077001 /nfs/dbraw/zinc/07/70/01/349077001.db2.gz DFKKGWPUQNFCSU-JHJVBQTASA-N 2 0 240.391 1.610 20 0 BDADRP CC[C@H](CCO)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000253027231 349226240 /nfs/dbraw/zinc/22/62/40/349226240.db2.gz ODYBMLJLZUEXEM-HBNTYKKESA-N 2 0 200.326 1.007 20 0 BDADRP C[NH+](C)C1(CN[C@H]2CCC[C@H]([NH3+])C2)CCC1 ZINC000165164857 490232736 /nfs/dbraw/zinc/23/27/36/490232736.db2.gz YRVYUGGXOUBWOH-RYUDHWBXSA-N 2 0 225.380 1.330 20 0 BDADRP CSC1(C[NH2+]CCN2CC[C@@H](C)C2)CC1 ZINC000308964666 349258967 /nfs/dbraw/zinc/25/89/67/349258967.db2.gz UMWCCKMKHWXWTF-LLVKDONJSA-N 2 0 228.405 1.813 20 0 BDADRP CC[C@H](COC)[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000070656685 350040242 /nfs/dbraw/zinc/04/02/42/350040242.db2.gz WQNKMXCKBMGFDT-CHWSQXEVSA-N 2 0 228.380 1.731 20 0 BDADRP CCOC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](CC)C1 ZINC000132427946 191033472 /nfs/dbraw/zinc/03/34/72/191033472.db2.gz MTHINVHAJPAYTJ-RYUDHWBXSA-N 2 0 214.353 1.343 20 0 BDADRP CCN(C)C[C@H](O)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000309195226 350167343 /nfs/dbraw/zinc/16/73/43/350167343.db2.gz AHLIJIMWHQHCPL-XQQFMLRXSA-N 2 0 228.380 1.562 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]CC[C@@H](C)CCO)CC1 ZINC000397785418 350174548 /nfs/dbraw/zinc/17/45/48/350174548.db2.gz QJJMWJKVAXNMIR-CYBMUJFWSA-N 2 0 242.407 1.857 20 0 BDADRP Cc1ncc(C[NH+]2CCC(C[NH3+])CC2)s1 ZINC000062337150 180141412 /nfs/dbraw/zinc/14/14/12/180141412.db2.gz RUGLZTCVSWIWJZ-UHFFFAOYSA-N 2 0 225.361 1.622 20 0 BDADRP Cc1ncc(CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)s1 ZINC000105480485 180157171 /nfs/dbraw/zinc/15/71/71/180157171.db2.gz QUCWNSDSLGARLC-JOYOIKCWSA-N 2 0 239.388 1.881 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+]C[C@@H]1CCCCO1 ZINC000042825309 191067294 /nfs/dbraw/zinc/06/72/94/191067294.db2.gz DIHDZHMAPIINBX-RYUDHWBXSA-N 2 0 214.353 1.519 20 0 BDADRP COCCCCC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000428995486 191087568 /nfs/dbraw/zinc/08/75/68/191087568.db2.gz HHWDWDFIKKZGPA-CQSZACIVSA-N 2 0 240.391 1.831 20 0 BDADRP CCN(C)C[C@@H](O)C[N@H+](C)[C@@H](C)CCSC ZINC000309292293 350255633 /nfs/dbraw/zinc/25/56/33/350255633.db2.gz WBXYJNZGBOGEJE-NWDGAFQWSA-N 2 0 248.436 1.372 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]CC2(CCO)CC2)CC1 ZINC000157481915 191092403 /nfs/dbraw/zinc/09/24/03/191092403.db2.gz YTTYOOQAWQGVGQ-UHFFFAOYSA-N 2 0 240.391 1.611 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC000038043752 350302785 /nfs/dbraw/zinc/30/27/85/350302785.db2.gz KKGOVLHBWDIJRY-GFCCVEGCSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1NCCC[NH+]1CCCC1 ZINC000422780172 192464940 /nfs/dbraw/zinc/46/49/40/192464940.db2.gz GZSSBELRURBWOP-ZIAGYGMSSA-N 2 0 239.407 1.450 20 0 BDADRP C[C@H]1CC[NH2+]C[C@@H]1NCC1([NH+](C)C)CCCC1 ZINC000422781332 192465233 /nfs/dbraw/zinc/46/52/33/192465233.db2.gz ILYYKHBRWIFDEW-STQMWFEESA-N 2 0 239.407 1.448 20 0 BDADRP Cc1nccnc1[C@@H](C)[NH2+]CCCC[NH+](C)C ZINC000219119779 180280775 /nfs/dbraw/zinc/28/07/75/180280775.db2.gz UMMRWNPWIQWQLZ-LLVKDONJSA-N 2 0 236.363 1.777 20 0 BDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000328533469 350402192 /nfs/dbraw/zinc/40/21/92/350402192.db2.gz YZVWXVLQSKAWSK-BFHYXJOUSA-N 2 0 242.407 1.843 20 0 BDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000328533471 350402359 /nfs/dbraw/zinc/40/23/59/350402359.db2.gz YZVWXVLQSKAWSK-MGPQQGTHSA-N 2 0 242.407 1.843 20 0 BDADRP Cc1nn(C)cc1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000128253003 180371360 /nfs/dbraw/zinc/37/13/60/180371360.db2.gz YAQBAPFFTLXIGO-JTQLQIEISA-N 2 0 236.363 1.288 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+]CCC2(CO)CC2)CC1(C)C ZINC000623540647 362958743 /nfs/dbraw/zinc/95/87/43/362958743.db2.gz AMDZZLKPAJUCRM-GFCCVEGCSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2CC[NH2+]CC2)[C@@H](C)O1 ZINC000384726388 350493045 /nfs/dbraw/zinc/49/30/45/350493045.db2.gz JCWYXQJGDXWAKA-FOGDFJRCSA-N 2 0 212.337 1.142 20 0 BDADRP C[NH2+]CCC[NH2+]Cc1ccc(C)c(OC)c1 ZINC000163302853 350516038 /nfs/dbraw/zinc/51/60/38/350516038.db2.gz XOSKYSNSBIOZEN-UHFFFAOYSA-N 2 0 222.332 1.703 20 0 BDADRP CCC1(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)COC1 ZINC000623541430 362959445 /nfs/dbraw/zinc/95/94/45/362959445.db2.gz IYHRJZVNXJGINV-LBPRGKRZSA-N 2 0 240.391 1.875 20 0 BDADRP CCC1(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)COC1 ZINC000623541429 362959707 /nfs/dbraw/zinc/95/97/07/362959707.db2.gz IYHRJZVNXJGINV-GFCCVEGCSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCCSC1 ZINC000061589231 350519193 /nfs/dbraw/zinc/51/91/93/350519193.db2.gz KDIZTDVAHBYBPK-MNOVXSKESA-N 2 0 216.394 1.812 20 0 BDADRP CC(C)C[C@H](CNC(=O)[C@@H](C)[C@H](C)[NH3+])[NH+](C)C ZINC000248491231 191108077 /nfs/dbraw/zinc/10/80/77/191108077.db2.gz NUDRSZRLAFNYFK-SDDRHHMPSA-N 2 0 243.395 1.062 20 0 BDADRP CC1(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)COC1 ZINC000070616970 350549957 /nfs/dbraw/zinc/54/99/57/350549957.db2.gz QXCMVNUMKBSSFF-NSHDSACASA-N 2 0 224.348 1.097 20 0 BDADRP CC1(C)CC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000336652738 350585897 /nfs/dbraw/zinc/58/58/97/350585897.db2.gz IWXWJWVFDDOJQV-NEPJUHHUSA-N 2 0 226.364 1.221 20 0 BDADRP CC(C)C[C@H](C[NH2+][C@H](C)CCC[NH3+])N(C)C ZINC000336670224 191124654 /nfs/dbraw/zinc/12/46/54/191124654.db2.gz RQTRKBBSZVWRTF-CHWSQXEVSA-N 2 0 229.412 1.680 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+][C@@H](CO)CCF)CC1(C)C ZINC000623560500 362985744 /nfs/dbraw/zinc/98/57/44/362985744.db2.gz IFWFECYIKLEJBE-GHMZBOCLSA-N 2 0 232.343 1.169 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](C[C@H]2CC[C@@H](C)O2)C1 ZINC000251925668 362987924 /nfs/dbraw/zinc/98/79/24/362987924.db2.gz UXPSDSKJQIYQHK-FDYHWXHSSA-N 2 0 226.364 1.613 20 0 BDADRP CC[NH+](CC)CC1CC[NH+](CCCO)CC1 ZINC000051908133 350870662 /nfs/dbraw/zinc/87/06/62/350870662.db2.gz UOVUULMVFDQUIB-UHFFFAOYSA-N 2 0 228.380 1.423 20 0 BDADRP C([C@H]1CCOC1)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000051953291 350871860 /nfs/dbraw/zinc/87/18/60/350871860.db2.gz PNLGTKDVBKUARJ-CYBMUJFWSA-N 2 0 238.375 1.583 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@H]1C)C1CC[NH+](C)CC1 ZINC000252710321 538099789 /nfs/dbraw/zinc/09/97/89/538099789.db2.gz GIHUYNOZHIRVOZ-NQBHXWOUSA-N 2 0 210.365 1.962 20 0 BDADRP Cc1cccnc1CC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000404897705 363071672 /nfs/dbraw/zinc/07/16/72/363071672.db2.gz HMPINXKTNGHOOV-DZGCQCFKSA-N 2 0 247.386 1.862 20 0 BDADRP C[C@H]1CN(CC[NH2+]C(C)(C)C)C[C@H](C)[NH2+]1 ZINC000414680608 351588158 /nfs/dbraw/zinc/58/81/58/351588158.db2.gz ZAZPMLYFTPPUFE-QWRGUYRKSA-N 2 0 213.369 1.057 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)Nc1cccc(C[NH3+])c1 ZINC000637800267 351635759 /nfs/dbraw/zinc/63/57/59/351635759.db2.gz COSAQOMZXPJBAL-ZDUSSCGKSA-N 2 0 249.358 1.847 20 0 BDADRP CC[NH2+][C@H](C)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000637843367 351702256 /nfs/dbraw/zinc/70/22/56/351702256.db2.gz DUETYQRIFVIGEH-PWSUYJOCSA-N 2 0 241.379 1.008 20 0 BDADRP CC[C@@](C)(C[NH+]1CCC([NH+](C)C)CC1)OC ZINC000637925633 351803258 /nfs/dbraw/zinc/80/32/58/351803258.db2.gz AKHSSFRDIJUTEK-ZDUSSCGKSA-N 2 0 228.380 1.828 20 0 BDADRP CC[NH+](CC)CCNC(=O)[C@H]([NH3+])CCC(C)C ZINC000638048080 351924538 /nfs/dbraw/zinc/92/45/38/351924538.db2.gz XQHBCNMJNKVMHO-GFCCVEGCSA-N 2 0 243.395 1.208 20 0 BDADRP CC[NH+](CC)CCNC(=O)[C@@H]([NH3+])CCC(C)C ZINC000638048081 351924705 /nfs/dbraw/zinc/92/47/05/351924705.db2.gz XQHBCNMJNKVMHO-LBPRGKRZSA-N 2 0 243.395 1.208 20 0 BDADRP CC[NH2+][C@@H](C)C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000638058414 351934622 /nfs/dbraw/zinc/93/46/22/351934622.db2.gz BPDAEMLXLVKEHK-RYUDHWBXSA-N 2 0 243.395 1.077 20 0 BDADRP CC[NH2+][C@H](C)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000638127139 351997853 /nfs/dbraw/zinc/99/78/53/351997853.db2.gz VBCQMNKRJMTJFR-GHMZBOCLSA-N 2 0 243.395 1.077 20 0 BDADRP CCC[NH2+]CCNC(=O)[C@@H]([NH3+])c1ccc(C)cc1 ZINC000262666905 535170303 /nfs/dbraw/zinc/17/03/03/535170303.db2.gz PXDNQYULKFDOND-ZDUSSCGKSA-N 2 0 249.358 1.111 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000638208379 352070853 /nfs/dbraw/zinc/07/08/53/352070853.db2.gz FAQAEQIBPVETCB-UTUOFQBUSA-N 2 0 241.379 1.007 20 0 BDADRP [NH3+][C@H]1CC=C(C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000638259078 352102947 /nfs/dbraw/zinc/10/29/47/352102947.db2.gz BKSZUVSOIULHKO-LBPRGKRZSA-N 2 0 243.310 1.276 20 0 BDADRP CC[NH+]1CCC(NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000414899951 352174630 /nfs/dbraw/zinc/17/46/30/352174630.db2.gz CWCXPPKPKQWASN-CQSZACIVSA-N 2 0 239.407 1.450 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000638382128 352193807 /nfs/dbraw/zinc/19/38/07/352193807.db2.gz SIFCAXFFHIWBIM-FQUUOJAGSA-N 2 0 222.376 1.964 20 0 BDADRP Cc1ncccc1C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414914865 352261410 /nfs/dbraw/zinc/26/14/10/352261410.db2.gz YTFVIYUAUNBNBM-UHFFFAOYSA-N 2 0 233.359 1.869 20 0 BDADRP COc1cc(C)c(C[NH2+]CCCC[NH3+])c(C)n1 ZINC000414915302 352262231 /nfs/dbraw/zinc/26/22/31/352262231.db2.gz YYQZIEBDRMSCEB-UHFFFAOYSA-N 2 0 237.347 1.536 20 0 BDADRP CCOC1CC(C[NH2+]CCCC[NH+](C)C)C1 ZINC000638452343 352263314 /nfs/dbraw/zinc/26/33/14/352263314.db2.gz XOIUJEXPAIGAAQ-UHFFFAOYSA-N 2 0 228.380 1.733 20 0 BDADRP CCN(CC[NH3+])C(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000638522222 352355804 /nfs/dbraw/zinc/35/58/04/352355804.db2.gz BXRTVWRIVAJLEJ-NEPJUHHUSA-N 2 0 241.379 1.091 20 0 BDADRP CCN(CC[NH3+])C(=O)c1cccc(C[NH+](C)C)c1 ZINC000638518158 352349775 /nfs/dbraw/zinc/34/97/75/352349775.db2.gz HEZTYXPSVSRDOX-UHFFFAOYSA-N 2 0 249.358 1.169 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(CC)(CC)C[NH3+] ZINC000638572767 352401224 /nfs/dbraw/zinc/40/12/24/352401224.db2.gz XUVDMOLZYIRUBD-WDEREUQCSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@@H](C[NH3+])C(=O)N1CCCc2cccc(C[NH3+])c21 ZINC000638543698 352374248 /nfs/dbraw/zinc/37/42/48/352374248.db2.gz OBQYFWUUIDLNPQ-JTQLQIEISA-N 2 0 247.342 1.019 20 0 BDADRP CC[C@H]([NH3+])C(=O)N1CCCc2cccc(C[NH3+])c21 ZINC000638550136 352379541 /nfs/dbraw/zinc/37/95/41/352379541.db2.gz RSNPJXQMAJDLER-LBPRGKRZSA-N 2 0 247.342 1.162 20 0 BDADRP CCC(CC)(C[NH3+])C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000638640401 352483958 /nfs/dbraw/zinc/48/39/58/352483958.db2.gz BAZJMQOMYJTYIS-GHMZBOCLSA-N 2 0 241.379 1.008 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000638642237 352485466 /nfs/dbraw/zinc/48/54/66/352485466.db2.gz VYZWXFQHYXYENY-TUAOUCFPSA-N 2 0 241.379 1.007 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)NC(=O)C(C)(C)[NH3+] ZINC000040920177 352600381 /nfs/dbraw/zinc/60/03/81/352600381.db2.gz ZYTKMKNLLDYHTH-NSHDSACASA-N 2 0 243.395 1.350 20 0 BDADRP CCC[C@H]([NH3+])C(=O)NCC[NH+]1CCCCCC1 ZINC000040768289 352604940 /nfs/dbraw/zinc/60/49/40/352604940.db2.gz WZKLYQMTKWHZLV-LBPRGKRZSA-N 2 0 241.379 1.106 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000334227468 352821875 /nfs/dbraw/zinc/82/18/75/352821875.db2.gz GBDBSUIZKSTPAH-ZIAGYGMSSA-N 2 0 237.391 1.062 20 0 BDADRP C[N@@H+]1CCC[C@]2(CC[NH+](CCC(C)(C)O)C2)C1 ZINC000334269979 352906363 /nfs/dbraw/zinc/90/63/63/352906363.db2.gz RIVVWUBDFWHKCE-AWEZNQCLSA-N 2 0 240.391 1.565 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638821913 353002908 /nfs/dbraw/zinc/00/29/08/353002908.db2.gz DDNXXAHVOQFWLX-WCQYABFASA-N 2 0 241.379 1.234 20 0 BDADRP CC[C@](C)(C[NH2+]CCN1CC[C@@H](C)C1)OC ZINC000638870669 353043004 /nfs/dbraw/zinc/04/30/04/353043004.db2.gz FMZCPCSPMGVQDR-CHWSQXEVSA-N 2 0 228.380 1.733 20 0 BDADRP CC[C@](C)(C[N@@H+]1CC[C@@H]2CCN(C)C[C@@H]21)OC ZINC000638918768 353083098 /nfs/dbraw/zinc/08/30/98/353083098.db2.gz TWFGPDYOHGTXES-MELADBBJSA-N 2 0 240.391 1.828 20 0 BDADRP CC(C)[C@@](C)(CO)[NH2+]Cc1cccc2nccn21 ZINC000353244862 188061260 /nfs/dbraw/zinc/06/12/60/188061260.db2.gz VHMQWZYMMNOZTJ-CQSZACIVSA-N 2 0 247.342 1.831 20 0 BDADRP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000356746705 188065333 /nfs/dbraw/zinc/06/53/33/188065333.db2.gz RJOUPYSNORRCIH-LBPRGKRZSA-N 2 0 243.395 1.172 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000357022734 188066450 /nfs/dbraw/zinc/06/64/50/188066450.db2.gz BTIHKGOBRACICP-OAHLLOKOSA-N 2 0 248.370 1.669 20 0 BDADRP CC(C)[NH+]1CCC([N@H+](C)CCCCCO)CC1 ZINC000303368867 188075476 /nfs/dbraw/zinc/07/54/76/188075476.db2.gz JCQDPZDWZJIOTR-UHFFFAOYSA-N 2 0 242.407 1.954 20 0 BDADRP C1=CCN(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000355569185 188098127 /nfs/dbraw/zinc/09/81/27/188098127.db2.gz QISSATSEUZNSFC-GJZGRUSLSA-N 2 0 249.402 1.465 20 0 BDADRP CC[C@@H]([NH3+])C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000638975567 353182424 /nfs/dbraw/zinc/18/24/24/353182424.db2.gz LLNIJBANAVVRRH-LLVKDONJSA-N 2 0 241.379 1.057 20 0 BDADRP CC(C)[NH+](CCNC1CC[NH2+]CC1)C(C)C ZINC000038040484 188117483 /nfs/dbraw/zinc/11/74/83/188117483.db2.gz FTRXZPPLJFNPIV-UHFFFAOYSA-N 2 0 227.396 1.447 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000300366728 188156695 /nfs/dbraw/zinc/15/66/95/188156695.db2.gz FWPKUXLHASIMMX-QWHCGFSZSA-N 2 0 227.396 1.434 20 0 BDADRP CC(C)[N@H+](C)CCCNCc1ccncc1 ZINC000163628748 188160466 /nfs/dbraw/zinc/16/04/66/188160466.db2.gz XGYCJFHQDZJHDN-UHFFFAOYSA-N 2 0 221.348 1.902 20 0 BDADRP CC(C)[C@@](C)(O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365407089 188179887 /nfs/dbraw/zinc/17/98/87/188179887.db2.gz YYQFKIJQRPGXSJ-KBPBESRZSA-N 2 0 242.407 1.810 20 0 BDADRP C[NH+](C)CCOCC[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000338009426 188187286 /nfs/dbraw/zinc/18/72/86/188187286.db2.gz RLYIDMNLVJYPSP-ZIAGYGMSSA-N 2 0 240.391 1.733 20 0 BDADRP CC(C)C[C@H]([NH3+])c1noc(-c2c[nH+]ccc2N)n1 ZINC000339389022 188190132 /nfs/dbraw/zinc/19/01/32/188190132.db2.gz CUCNXOOOGHLXSB-JTQLQIEISA-N 2 0 247.302 1.590 20 0 BDADRP CC(=O)Nc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000050245286 188219577 /nfs/dbraw/zinc/21/95/77/188219577.db2.gz HRDYZOOMXYWRBI-ZDUSSCGKSA-N 2 0 247.342 1.426 20 0 BDADRP C=Cn1cc(CN2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cn1 ZINC000278499406 188204468 /nfs/dbraw/zinc/20/44/68/188204468.db2.gz NIEDGBFZBNVGIU-KBPBESRZSA-N 2 0 246.358 1.510 20 0 BDADRP c1cnn([C@H]2CC[N@@H+](CCn3ccnc3)C2)c1 ZINC000291371635 188211296 /nfs/dbraw/zinc/21/12/96/188211296.db2.gz AIEOOOMOYGSNQP-LBPRGKRZSA-N 2 0 231.303 1.027 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000336388480 188229287 /nfs/dbraw/zinc/22/92/87/188229287.db2.gz OMFQOEBLCBIBBB-CQSZACIVSA-N 3 0 237.391 1.062 20 0 BDADRP C([C@H]1CCOC1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063197862 188223655 /nfs/dbraw/zinc/22/36/55/188223655.db2.gz YFUBUGCELNWNNK-OCCSQVGLSA-N 2 0 238.375 1.487 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)[C@H](C(C)C)[NH+](C)C ZINC000162747556 353330104 /nfs/dbraw/zinc/33/01/04/353330104.db2.gz SBQQSSZVDAQKTM-RYUDHWBXSA-N 2 0 243.395 1.206 20 0 BDADRP CC1CCC(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000085282362 538116119 /nfs/dbraw/zinc/11/61/19/538116119.db2.gz ODMVQPVKHQBGKB-HOAMVYINSA-N 2 0 222.376 1.964 20 0 BDADRP CC[C@@H]([NH3+])C(=O)N1CC[C@@H](C[NH3+])c2ccccc21 ZINC000639066942 353380543 /nfs/dbraw/zinc/38/05/43/353380543.db2.gz GKWBXSCARGTSHC-CMPLNLGQSA-N 2 0 247.342 1.203 20 0 BDADRP C[C@@H](C[NH3+])C(=O)N1CC[C@H](C[NH3+])c2ccccc21 ZINC000639067285 353381419 /nfs/dbraw/zinc/38/14/19/353381419.db2.gz HXQZNPNEMWBDPU-WDEREUQCSA-N 2 0 247.342 1.060 20 0 BDADRP CC1CCC(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000085282360 538116092 /nfs/dbraw/zinc/11/60/92/538116092.db2.gz ODMVQPVKHQBGKB-LLZFXZEUSA-N 2 0 222.376 1.964 20 0 BDADRP FC1(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000308876291 353586686 /nfs/dbraw/zinc/58/66/86/353586686.db2.gz NLDSNOOUXARUPW-JTQLQIEISA-N 2 0 212.312 1.562 20 0 BDADRP C[N@H+]1C[C@@H]2C[NH+](CC3CCSCC3)C[C@@H]2C1 ZINC000639113219 353710517 /nfs/dbraw/zinc/71/05/17/353710517.db2.gz LDRYDUKZCRZEFB-BETUJISGSA-N 2 0 240.416 1.623 20 0 BDADRP CC[C@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000083847077 353780662 /nfs/dbraw/zinc/78/06/62/353780662.db2.gz UGYUDKIMBYTRDC-WVMKXHBISA-N 2 0 226.364 1.362 20 0 BDADRP CCC[NH+]1CCC(NC[C@@H]2CCC[NH2+]2)CC1 ZINC000233018667 353784573 /nfs/dbraw/zinc/78/45/73/353784573.db2.gz RWXUCKAMBRPPIB-ZDUSSCGKSA-N 2 0 225.380 1.202 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000343413391 353879457 /nfs/dbraw/zinc/87/94/57/353879457.db2.gz IGILVHCTMPJNKS-IJLUTSLNSA-N 2 0 241.379 1.008 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCOC2)[C@@H]2CCC[C@H]21 ZINC000343980372 354057873 /nfs/dbraw/zinc/05/78/73/354057873.db2.gz IXZCQJASWFEMET-ZOBORPQBSA-N 2 0 238.375 1.628 20 0 BDADRP CCCC[N@H+](C)C[C@H](C)NC1CC[NH+](C)CC1 ZINC000344037216 354102338 /nfs/dbraw/zinc/10/23/38/354102338.db2.gz ILGZABSTGYCWBK-ZDUSSCGKSA-N 2 0 241.423 1.791 20 0 BDADRP CC(C)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344039835 354104837 /nfs/dbraw/zinc/10/48/37/354104837.db2.gz UVASZKGFEFPVPV-UHFFFAOYSA-N 2 0 215.385 1.210 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)C2CCC2)[C@H](C)C1 ZINC000449739791 202015412 /nfs/dbraw/zinc/01/54/12/202015412.db2.gz MHCDDJDTUUDJAV-XBFCOCLRSA-N 2 0 240.391 1.467 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)C2CCC2)[C@H](C)C1 ZINC000449739789 202015516 /nfs/dbraw/zinc/01/55/16/202015516.db2.gz MHCDDJDTUUDJAV-KWCYVHTRSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)C1CCOCC1 ZINC000344287316 354204654 /nfs/dbraw/zinc/20/46/54/354204654.db2.gz ILZALZGLTFEHKB-GFCCVEGCSA-N 2 0 238.375 1.653 20 0 BDADRP CCCC[N@H+](C)CCN[C@H]1C[NH+](CC)C[C@H]1C ZINC000344411684 354252021 /nfs/dbraw/zinc/25/20/21/354252021.db2.gz RIEIFJWDFMXIOF-KGLIPLIRSA-N 2 0 241.423 1.648 20 0 BDADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccon3)C2)CC1 ZINC000639177962 354252472 /nfs/dbraw/zinc/25/24/72/354252472.db2.gz XYGLKDSNRHGFPB-CYBMUJFWSA-N 2 0 249.358 1.838 20 0 BDADRP CC(C)([NH3+])CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000334693361 354483376 /nfs/dbraw/zinc/48/33/76/354483376.db2.gz ZPEPNAHWRXYPMK-GFCCVEGCSA-N 2 0 225.380 1.045 20 0 BDADRP CC[C@@](C)(C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1)OC ZINC000639204160 354620581 /nfs/dbraw/zinc/62/05/81/354620581.db2.gz PKGMTXJOGBVMSN-UONOGXRCSA-N 2 0 240.391 1.829 20 0 BDADRP CCCCO[C@H]1C[C@H](N(C)CC[NH3+])C1(C)C ZINC000345542006 354677008 /nfs/dbraw/zinc/67/70/08/354677008.db2.gz RXGYIEXKFJORBH-RYUDHWBXSA-N 2 0 228.380 1.861 20 0 BDADRP C[C@]1(CCCO)CCC[N@@H+]1CCn1ccnc1 ZINC000345955695 354820021 /nfs/dbraw/zinc/82/00/21/354820021.db2.gz KZDHSTZWHBWUEM-CYBMUJFWSA-N 2 0 237.347 1.510 20 0 BDADRP CC[C@H](C)C[NH2+][C@@H](CCC[NH3+])COC ZINC000234005343 363413061 /nfs/dbraw/zinc/41/30/61/363413061.db2.gz NWUKJVBVILAWSS-QWRGUYRKSA-N 2 0 202.342 1.376 20 0 BDADRP CC(C)[NH+]1CCC(N[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000335951365 134021539 /nfs/dbraw/zinc/02/15/39/134021539.db2.gz SFBMIWNZMOVQEQ-JSGCOSHPSA-N 2 0 239.407 1.399 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)C1CC1 ZINC000234810070 363431740 /nfs/dbraw/zinc/43/17/40/363431740.db2.gz SWSAAIQLUDOABW-KOLCDFICSA-N 2 0 200.326 1.128 20 0 BDADRP CN1CC[C@@](O)(C[NH2+][C@@H]2CCCC23CCC3)C1 ZINC000335168630 354930359 /nfs/dbraw/zinc/93/03/59/354930359.db2.gz GJKQMTONEQTWQA-TZMCWYRMSA-N 2 0 238.375 1.365 20 0 BDADRP CCN(CCO)CC[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000346537632 354980414 /nfs/dbraw/zinc/98/04/14/354980414.db2.gz RXCBWOHCTLPNQA-BFHYXJOUSA-N 2 0 242.407 1.715 20 0 BDADRP C[C@H]1C[C@@H](C[NH+]2CCC(CO)CC2)CC[NH2+]1 ZINC000335247165 355162275 /nfs/dbraw/zinc/16/22/75/355162275.db2.gz FNVOXLKNXWQIMP-AAEUAGOBSA-N 2 0 226.364 1.079 20 0 BDADRP CC(C)(C)CC[NH+]1CCN(CC(C)(C)[NH3+])CC1 ZINC000346840764 355133578 /nfs/dbraw/zinc/13/35/78/355133578.db2.gz UQQGLLMHUOPGCI-UHFFFAOYSA-N 2 0 241.423 1.778 20 0 BDADRP CCOC[C@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346971027 355207409 /nfs/dbraw/zinc/20/74/09/355207409.db2.gz GUNLGCTXJYUUOD-KBPBESRZSA-N 2 0 240.391 1.735 20 0 BDADRP C[NH+](C)C[C@H]1CC[N@H+](CCOC2CCC2)C1 ZINC000346970739 355207553 /nfs/dbraw/zinc/20/75/53/355207553.db2.gz RHADENNGSFZJNY-GFCCVEGCSA-N 2 0 226.364 1.439 20 0 BDADRP CC(C)CO[C@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346964808 355172404 /nfs/dbraw/zinc/17/24/04/355172404.db2.gz BTPHLJJVVFGXQX-KBPBESRZSA-N 2 0 240.391 1.733 20 0 BDADRP C[NH2+]C[C@H]1CCCN(Cc2c[nH]nc2C)C1 ZINC000347003090 355200905 /nfs/dbraw/zinc/20/09/05/355200905.db2.gz KJQUIMOQPAPJAQ-LLVKDONJSA-N 2 0 222.336 1.150 20 0 BDADRP CC(C)OCCC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113515179 355251857 /nfs/dbraw/zinc/25/18/57/355251857.db2.gz ILYXGCCQUYNCHT-ZDUSSCGKSA-N 2 0 228.380 1.685 20 0 BDADRP Cc1ccncc1CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000347667988 355257806 /nfs/dbraw/zinc/25/78/06/355257806.db2.gz HGBYKBULMRPUQB-ZDUSSCGKSA-N 2 0 247.342 1.272 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cn[nH]c1 ZINC000414169566 191450828 /nfs/dbraw/zinc/45/08/28/191450828.db2.gz BHCZEOUWFFXTTN-NEPJUHHUSA-N 2 0 236.363 1.792 20 0 BDADRP C[NH+](C)C[C@@H]1CCN(CC[NH2+]C(C)(C)C)C1 ZINC000414690173 191545558 /nfs/dbraw/zinc/54/55/58/191545558.db2.gz HGNKBUVWWGFTSY-LBPRGKRZSA-N 2 0 227.396 1.258 20 0 BDADRP CO[C@H](C[NH2+]CCC[N@H+](C)CC(C)C)C1CC1 ZINC000639287775 355396494 /nfs/dbraw/zinc/39/64/94/355396494.db2.gz AHAVEZPUAFCOAO-CQSZACIVSA-N 2 0 242.407 1.979 20 0 BDADRP c1ncn2c1C[N@H+](C[C@H]1CCCOC1)CC2 ZINC000335774958 355399487 /nfs/dbraw/zinc/39/94/87/355399487.db2.gz FHLBQAJJIONVEC-LLVKDONJSA-N 2 0 221.304 1.125 20 0 BDADRP C[C@@H]1CCCC[C@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000414779761 191566840 /nfs/dbraw/zinc/56/68/40/191566840.db2.gz KFOIJNFQCYEGBY-ZIAGYGMSSA-N 2 0 239.407 1.450 20 0 BDADRP CC(C)[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252703093 535285383 /nfs/dbraw/zinc/28/53/83/535285383.db2.gz GJKWZWNUHFLVLG-HZSPNIEDSA-N 2 0 240.391 1.610 20 0 BDADRP CC(C)[C@](C)(O)C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000261538935 535285562 /nfs/dbraw/zinc/28/55/62/535285562.db2.gz ZVZODYJYCKYJOZ-VXGBXAGGSA-N 2 0 214.353 1.125 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000414819044 191581953 /nfs/dbraw/zinc/58/19/53/191581953.db2.gz GLVXJWZLIAJNJY-AAVRWANBSA-N 3 0 239.407 1.352 20 0 BDADRP Cc1ccncc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414842152 191597627 /nfs/dbraw/zinc/59/76/27/191597627.db2.gz YOJQHOJYQKOLAJ-GFCCVEGCSA-N 2 0 219.332 1.479 20 0 BDADRP CC(C)[C@H]1CCC[C@@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000414866045 191607828 /nfs/dbraw/zinc/60/78/28/191607828.db2.gz DSKIDXDCOGSXOB-KGLIPLIRSA-N 2 0 239.407 1.306 20 0 BDADRP C[C@@H](CC1CCOCC1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414857829 191603675 /nfs/dbraw/zinc/60/36/75/191603675.db2.gz QHMDMVWCYQYPRN-GXTWGEPZSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000415024776 191655135 /nfs/dbraw/zinc/65/51/35/191655135.db2.gz PNBSSWBRYMNIFO-AAVRWANBSA-N 3 0 239.407 1.624 20 0 BDADRP Cc1cc(C)cc(C[NH2+]C[C@H](C)C[NH3+])c1 ZINC000414881059 191613636 /nfs/dbraw/zinc/61/36/36/191613636.db2.gz RXKKRNPQDPAOSY-GFCCVEGCSA-N 2 0 206.333 1.988 20 0 BDADRP C[C@H](CC[NH3+])N[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000414896360 191619466 /nfs/dbraw/zinc/61/94/66/191619466.db2.gz OTFCADZBZYRUQI-SNPRPXQTSA-N 2 0 247.386 1.807 20 0 BDADRP Cn1cccc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350148632 355615526 /nfs/dbraw/zinc/61/55/26/355615526.db2.gz SNGQPZXEUWFXQJ-UHFFFAOYSA-N 2 0 235.375 1.799 20 0 BDADRP CC[C@H](COC)[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415032637 191657953 /nfs/dbraw/zinc/65/79/53/191657953.db2.gz IATWPHJYPPJGLC-MXWKQRLJSA-N 2 0 200.326 1.128 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)CCO1 ZINC000415045539 191662294 /nfs/dbraw/zinc/66/22/94/191662294.db2.gz UEYMQKOCHDFLMQ-AAVRWANBSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)N[C@H](C[NH3+])C1CCCC1 ZINC000415062250 191665700 /nfs/dbraw/zinc/66/57/00/191665700.db2.gz FBFKXEIBQVTICB-KWCYVHTRSA-N 2 0 239.407 1.624 20 0 BDADRP COC(=O)CCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746932 358498939 /nfs/dbraw/zinc/49/89/39/358498939.db2.gz IUJLODVYBBKMEG-FOSCPWQOSA-N 2 0 240.347 1.154 20 0 BDADRP C[C@H]([NH2+][C@H]1CCCNC1)[C@@H]1CCCOC1 ZINC000389142725 355730464 /nfs/dbraw/zinc/73/04/64/355730464.db2.gz YQSFNXBNEBBDNR-TUAOUCFPSA-N 2 0 212.337 1.143 20 0 BDADRP COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000216022116 355796613 /nfs/dbraw/zinc/79/66/13/355796613.db2.gz DHDHXXOSFZCFAD-WCQYABFASA-N 2 0 234.343 1.864 20 0 BDADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H](C)[NH+](C)C ZINC000350898355 355870848 /nfs/dbraw/zinc/87/08/48/355870848.db2.gz VIRMPLGXFSZXHZ-RYUDHWBXSA-N 2 0 243.395 1.219 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)CC[NH2+]1 ZINC000530245089 355921471 /nfs/dbraw/zinc/92/14/71/355921471.db2.gz SSRBUQXHDGVEHA-UPJWGTAASA-N 3 0 237.391 1.249 20 0 BDADRP Cc1ccc([C@H]([NH3+])C(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000583631942 355941435 /nfs/dbraw/zinc/94/14/35/355941435.db2.gz IJZJYCMRWVVBCA-MDZLAQPJSA-N 2 0 249.358 1.237 20 0 BDADRP CO[C@@H](C)CN1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000227983725 491085454 /nfs/dbraw/zinc/08/54/54/491085454.db2.gz KTLPDEOEYPVDSI-NWDGAFQWSA-N 2 0 214.353 1.484 20 0 BDADRP Cc1ccc([C@H]([NH3+])C(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000583631940 355942016 /nfs/dbraw/zinc/94/20/16/355942016.db2.gz IJZJYCMRWVVBCA-GVXVVHGQSA-N 2 0 249.358 1.237 20 0 BDADRP CC(C)OCCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351480149 355994019 /nfs/dbraw/zinc/99/40/19/355994019.db2.gz TYYMNTOQNCTYDE-XQQFMLRXSA-N 2 0 226.364 1.471 20 0 BDADRP CC(C)(C)[C@H](C[NH3+])NC(=O)c1ccc(C[NH3+])cc1 ZINC000417829811 191933120 /nfs/dbraw/zinc/93/31/20/191933120.db2.gz GIYXDHLBZVCKSD-LBPRGKRZSA-N 2 0 249.358 1.249 20 0 BDADRP CC[C@H](COC)[NH2+]C[C@H]1CCC[N@H+](CC)C1 ZINC000167103692 355957692 /nfs/dbraw/zinc/95/76/92/355957692.db2.gz VONMUADHCBEFLA-CHWSQXEVSA-N 2 0 228.380 1.733 20 0 BDADRP CC(C)[C@H]1C[N@H+](C)CCN1Cc1nccn1C ZINC000335919063 356165728 /nfs/dbraw/zinc/16/57/28/356165728.db2.gz JAXGPMZEOIXCBS-GFCCVEGCSA-N 2 0 236.363 1.192 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](Nc2cc(NC3CC3)ncn2)C1 ZINC000420237958 192183493 /nfs/dbraw/zinc/18/34/93/192183493.db2.gz MUPXLRAMEQPXLD-KOLCDFICSA-N 2 0 247.346 1.733 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@H+](CCCc2ccncc2)C1 ZINC000420264926 192190937 /nfs/dbraw/zinc/19/09/37/192190937.db2.gz ATONPYCDDKEPOC-OAHLLOKOSA-N 2 0 247.386 1.946 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420295642 192203795 /nfs/dbraw/zinc/20/37/95/192203795.db2.gz VVRVTZAUYHREIJ-IHRRRGAJSA-N 3 0 239.407 1.435 20 0 BDADRP COCCC1(C[NH2+][C@H]2CCC[C@H]2[NH3+])CCC1 ZINC000422883621 192497894 /nfs/dbraw/zinc/49/78/94/192497894.db2.gz CNQXGPVJFDIBAV-NEPJUHHUSA-N 2 0 226.364 1.663 20 0 BDADRP CCOC(=O)CCCC[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000420297592 192205727 /nfs/dbraw/zinc/20/57/27/192205727.db2.gz YVHRCIDEQOUZNZ-NEPJUHHUSA-N 2 0 242.363 1.389 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CC[C@H]1[NH3+] ZINC000420296930 192205810 /nfs/dbraw/zinc/20/58/10/192205810.db2.gz XQWYQOWIZPLGQT-FRRDWIJNSA-N 3 0 225.380 1.045 20 0 BDADRP c1c[nH]c(C2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)n1 ZINC000420319795 192195225 /nfs/dbraw/zinc/19/52/25/192195225.db2.gz PLZXXMPYEPHTEZ-LBPRGKRZSA-N 2 0 248.374 1.589 20 0 BDADRP C[C@H]1[NH2+]CCN(CCC[NH+]2CCCCC2)[C@@H]1C ZINC000420318964 192195663 /nfs/dbraw/zinc/19/56/63/192195663.db2.gz WYAKBYIRPUVUBS-ZIAGYGMSSA-N 2 0 239.407 1.545 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1cc[nH]n1 ZINC000420318651 192195891 /nfs/dbraw/zinc/19/58/91/192195891.db2.gz OHSUPZNGDOTANC-NSHDSACASA-N 2 0 222.336 1.231 20 0 BDADRP CCOC(=O)CC[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000420288491 192200695 /nfs/dbraw/zinc/20/06/95/192200695.db2.gz IXZHENLOTXKNPB-LLVKDONJSA-N 2 0 230.352 1.245 20 0 BDADRP C[N@H+](CCOc1ccccc1)CC[C@@H]1CC[NH2+]C1 ZINC000420301631 192207249 /nfs/dbraw/zinc/20/72/49/192207249.db2.gz IQLSCKDZVIWWST-AWEZNQCLSA-N 2 0 248.370 1.997 20 0 BDADRP CCOC(=O)CC[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000420318083 192214808 /nfs/dbraw/zinc/21/48/08/192214808.db2.gz VQUFMBLOHLGTQP-NSHDSACASA-N 2 0 228.336 1.000 20 0 BDADRP CC(=O)CN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000639508581 356337604 /nfs/dbraw/zinc/33/76/04/356337604.db2.gz NZUZPZDBXSFLFK-CYBMUJFWSA-N 2 0 224.348 1.239 20 0 BDADRP Cc1cccc([C@H](C)[N@H+](C)C[C@H](O)C[NH3+])c1 ZINC000420349922 192217463 /nfs/dbraw/zinc/21/74/63/192217463.db2.gz FEHLVHAMMIYQDV-WCQYABFASA-N 2 0 222.332 1.307 20 0 BDADRP CO[C@@H](C)C[N@H+](CC[C@@H]1CC[NH2+]C1)C(C)C ZINC000420300418 192207860 /nfs/dbraw/zinc/20/78/60/192207860.db2.gz KIFWHEBTOMXJSG-STQMWFEESA-N 2 0 228.380 1.731 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCCc2ccncc2)C1 ZINC000420305510 192208560 /nfs/dbraw/zinc/20/85/60/192208560.db2.gz KKEZKQSIEJNQDL-JSGCOSHPSA-N 2 0 233.359 1.683 20 0 BDADRP CCOC(=O)CCCC[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000420306728 192209224 /nfs/dbraw/zinc/20/92/24/192209224.db2.gz AXVVQFROWWUPAE-ZDUSSCGKSA-N 2 0 242.363 1.391 20 0 BDADRP [NH3+]C1(CNCCC[NH+]2CCCCC2)CCC1 ZINC000420312547 192210313 /nfs/dbraw/zinc/21/03/13/192210313.db2.gz SKWICYMPRIDNMJ-UHFFFAOYSA-N 2 0 225.380 1.333 20 0 BDADRP CCOC(=O)CCCC[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000420311125 192210538 /nfs/dbraw/zinc/21/05/38/192210538.db2.gz GVJLWCMFDISWLQ-NEPJUHHUSA-N 2 0 242.363 1.389 20 0 BDADRP CC(C)OC(=O)CC[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000420308875 192211273 /nfs/dbraw/zinc/21/12/73/192211273.db2.gz KRFSMJHMSKFHEL-GFCCVEGCSA-N 2 0 242.363 1.402 20 0 BDADRP c1cc(CCC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000420311112 192211747 /nfs/dbraw/zinc/21/17/47/192211747.db2.gz NCJMMGYMPDSUGC-OKILXGFUSA-N 2 0 231.343 1.165 20 0 BDADRP CCOC(=O)CC[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000420317451 192212564 /nfs/dbraw/zinc/21/25/64/192212564.db2.gz OQJPHJPBGCMPMZ-LLVKDONJSA-N 2 0 228.336 1.143 20 0 BDADRP Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CCC[NH3+] ZINC000420366511 192226410 /nfs/dbraw/zinc/22/64/10/192226410.db2.gz FXRDEGROAHNISI-LLVKDONJSA-N 2 0 222.336 1.512 20 0 BDADRP COC(=O)C[C@@H]1CCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420370257 192228126 /nfs/dbraw/zinc/22/81/26/192228126.db2.gz YVPGHGOQXCURCB-NEPJUHHUSA-N 2 0 240.347 1.014 20 0 BDADRP CC[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1cnn(C)c1 ZINC000420322819 192228250 /nfs/dbraw/zinc/22/82/50/192228250.db2.gz SXYTZCSEXFCVAP-LBPRGKRZSA-N 2 0 236.363 1.242 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000420325284 192230546 /nfs/dbraw/zinc/23/05/46/192230546.db2.gz BKOBPQXVRQBLSA-KGLIPLIRSA-N 2 0 241.423 1.778 20 0 BDADRP C[NH2+]CCC[NH+]1CCC(Cc2cccnc2)CC1 ZINC000420357543 192220823 /nfs/dbraw/zinc/22/08/23/192220823.db2.gz IDHAJAIGKXECDG-UHFFFAOYSA-N 2 0 247.386 1.946 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CCc2ccc(F)cc2C1 ZINC000420366931 192225314 /nfs/dbraw/zinc/22/53/14/192225314.db2.gz VHONBFVKWNOIRY-UHFFFAOYSA-N 2 0 238.306 1.159 20 0 BDADRP CC[NH+]1CCC(CC[NH2+]CC2(C)COC2)CC1 ZINC000352782021 356411490 /nfs/dbraw/zinc/41/14/90/356411490.db2.gz BKLGBEKJXSBXGR-UHFFFAOYSA-N 2 0 240.391 1.735 20 0 BDADRP Cc1cccc([C@@H](C)[NH2+]CCOCC[NH3+])c1C ZINC000420402699 192237780 /nfs/dbraw/zinc/23/77/80/192237780.db2.gz KGSPULNVMRMJTH-CYBMUJFWSA-N 2 0 236.359 1.929 20 0 BDADRP CCC(C)(C)CC[NH+]1CCC(O)(C[NH3+])CC1 ZINC000420404319 192237919 /nfs/dbraw/zinc/23/79/19/192237919.db2.gz NACHMTPADYMZPA-UHFFFAOYSA-N 2 0 228.380 1.598 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)[C@H]1CCCO1 ZINC000420404175 192238503 /nfs/dbraw/zinc/23/85/03/192238503.db2.gz LUQACCSGQIRIAZ-QJPTWQEYSA-N 2 0 212.337 1.143 20 0 BDADRP CC[C@@H]1CCC[C@@H]1[NH2+]CCOCC[NH3+] ZINC000420412103 192239905 /nfs/dbraw/zinc/23/99/05/192239905.db2.gz SCOUSXJMRAAMGT-MNOVXSKESA-N 2 0 200.326 1.130 20 0 BDADRP C[C@@H]1C[C@@H](CO)C[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000420944518 192275498 /nfs/dbraw/zinc/27/54/98/192275498.db2.gz QZVRTGICOVJISM-MCIONIFRSA-N 2 0 240.391 1.421 20 0 BDADRP C[C@@H]1C[C@H](CO)C[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000420944521 192275661 /nfs/dbraw/zinc/27/56/61/192275661.db2.gz QZVRTGICOVJISM-RDBSUJKOSA-N 2 0 240.391 1.421 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@H+](C)CCC[NH+]1CCCC1 ZINC000639621658 356541264 /nfs/dbraw/zinc/54/12/64/356541264.db2.gz CCKAZQXSOXCXNA-KBPBESRZSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@H](O)CC(C)(C)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422922204 192507048 /nfs/dbraw/zinc/50/70/48/192507048.db2.gz PVOWUSRKKWDMAF-HIFPTAJRSA-N 2 0 242.407 1.891 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCCc1ccccn1 ZINC000422994527 192521973 /nfs/dbraw/zinc/52/19/73/192521973.db2.gz IBIXWCCNRSHPKI-DZGCQCFKSA-N 2 0 247.386 1.992 20 0 BDADRP COc1cccc(CC[NH2+][C@@H]2CCC[C@@H]2[NH3+])n1 ZINC000423005925 192534972 /nfs/dbraw/zinc/53/49/72/192534972.db2.gz NPNUPEGYVYVLQJ-NWDGAFQWSA-N 2 0 235.331 1.102 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CC1([C@@H](C)CCO)CCC1 ZINC000423014799 192539803 /nfs/dbraw/zinc/53/98/03/192539803.db2.gz JKDUKDZAICHDNA-STQMWFEESA-N 2 0 242.407 1.892 20 0 BDADRP CC(C)[C@H](O)C1(C[NH2+][C@@H](C)CCCC[NH3+])CC1 ZINC000423020102 192542387 /nfs/dbraw/zinc/54/23/87/192542387.db2.gz YSYHMYGRVROETC-STQMWFEESA-N 2 0 242.407 1.891 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000423032670 192545778 /nfs/dbraw/zinc/54/57/78/192545778.db2.gz MYQJUZHBYVZMLA-MQYQWHSLSA-N 2 0 240.391 1.922 20 0 BDADRP CC(C)[C@@H](C[NH3+])C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000433171291 192548168 /nfs/dbraw/zinc/54/81/68/192548168.db2.gz DAPPODIJAFYCAR-OLZOCXBDSA-N 2 0 249.358 1.034 20 0 BDADRP C/C=C\C[C@H](CO)[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423045320 192550703 /nfs/dbraw/zinc/55/07/03/192550703.db2.gz BZPBOJBOEJMYJP-LOTCAWRZSA-N 2 0 200.326 1.029 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000423068003 192556987 /nfs/dbraw/zinc/55/69/87/192556987.db2.gz JEBGUOBKIARBBH-GARJFASQSA-N 2 0 202.342 1.517 20 0 BDADRP C[C@](O)(C[NH2+][C@H]1CCC[C@@H]1[NH3+])C1CCCCC1 ZINC000423079558 192560254 /nfs/dbraw/zinc/56/02/54/192560254.db2.gz QYETXZDYDSRIDL-IHRRRGAJSA-N 2 0 240.391 1.787 20 0 BDADRP CC[C@@H]([NH2+]CC1(CO)CCCC1)[C@@H]1CCC[NH2+]1 ZINC000423052221 192552395 /nfs/dbraw/zinc/55/23/95/192552395.db2.gz PFIUFERNXJDAFI-OLZOCXBDSA-N 2 0 240.391 1.659 20 0 BDADRP CCCC[N@H+](C)C[C@H](C)N[C@@H](C)C1C[NH2+]C1 ZINC000423123857 192577190 /nfs/dbraw/zinc/57/71/90/192577190.db2.gz NOVPWLIEGXPVNJ-RYUDHWBXSA-N 2 0 227.396 1.304 20 0 BDADRP CN(C)C[C@@]1(O)CCC[N@H+](CC2CCC2)C1 ZINC000639760822 356675724 /nfs/dbraw/zinc/67/57/24/356675724.db2.gz AYRVQWDKDGLYPS-ZDUSSCGKSA-N 2 0 226.364 1.175 20 0 BDADRP C[NH+]1CCC2(CC[N@H+](CC3(C)COC3)C2)CC1 ZINC000639758450 356668262 /nfs/dbraw/zinc/66/82/62/356668262.db2.gz TXNLXLGSUXJFNJ-UHFFFAOYSA-N 2 0 238.375 1.441 20 0 BDADRP Cc1cnc([C@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)o1 ZINC000578193797 366379519 /nfs/dbraw/zinc/37/95/19/366379519.db2.gz WJKQUGUPFKRGQF-RWMBFGLXSA-N 2 0 249.358 1.975 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])[C@@H](O)C(F)F ZINC000423152137 192592010 /nfs/dbraw/zinc/59/20/10/192592010.db2.gz DPZZYDCGAZJGEO-LPEHRKFASA-N 2 0 238.322 1.498 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CCN2CC[C@@H](O)C2)C[C@H]1C ZINC000623758472 356814893 /nfs/dbraw/zinc/81/48/93/356814893.db2.gz CCBUKXWLQYAYHH-YIYPIFLZSA-N 2 0 240.391 1.467 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCOC2)CC1(C)C ZINC000623370373 356872685 /nfs/dbraw/zinc/87/26/85/356872685.db2.gz HXGSVGPRCZXYGR-STQMWFEESA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@@H]1OCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423170204 192606071 /nfs/dbraw/zinc/60/60/71/192606071.db2.gz LGMUKOHZPALAJY-KTCIRNNBSA-N 2 0 224.348 1.427 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623383423 356907064 /nfs/dbraw/zinc/90/70/64/356907064.db2.gz TVICJRDUMNNPLZ-CYBMUJFWSA-N 3 0 241.423 1.791 20 0 BDADRP CC[C@@H]([NH2+]C1CCC(C[NH3+])CC1)[C@@H](O)C(C)C ZINC000423187406 192615160 /nfs/dbraw/zinc/61/51/60/192615160.db2.gz PHBJQVXBQVDDGC-PQAZSJQKSA-N 2 0 242.407 1.889 20 0 BDADRP CC[NH+]1CCC(NCC(C)(C)[NH+](C)C)CC1 ZINC000020125693 356998398 /nfs/dbraw/zinc/99/83/98/356998398.db2.gz XSISPTVMRZOONY-UHFFFAOYSA-N 2 0 227.396 1.401 20 0 BDADRP CC[C@H](C)C[N@H+](CC)C[C@@](C)(O)C[NH2+]C ZINC000582306189 357043433 /nfs/dbraw/zinc/04/34/33/357043433.db2.gz FLXAQLXAMJNZSW-RYUDHWBXSA-N 2 0 216.369 1.325 20 0 BDADRP COCC1(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000656200542 538784760 /nfs/dbraw/zinc/78/47/60/538784760.db2.gz ORRRXNMIHKYEQZ-RYUDHWBXSA-N 2 0 226.364 1.391 20 0 BDADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H]1CCC[NH2+]1 ZINC000423237232 192644735 /nfs/dbraw/zinc/64/47/35/192644735.db2.gz PSQNSIYJLXVMLJ-QEJZJMRPSA-N 2 0 247.386 1.287 20 0 BDADRP CC[C@H]([NH2+]C[C@@H](C)C[NH2+]C)c1cnn(C)c1 ZINC000423271272 192665304 /nfs/dbraw/zinc/66/53/04/192665304.db2.gz IVBZWYJBKLRQAF-JQWIXIFHSA-N 2 0 224.352 1.316 20 0 BDADRP C[N@@H+]1CCCC[C@@H](C[NH2+]C2CSC2)C1 ZINC000628425463 357252941 /nfs/dbraw/zinc/25/29/41/357252941.db2.gz LTEMAQFBAICVSL-JTQLQIEISA-N 2 0 214.378 1.423 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000628425447 357252967 /nfs/dbraw/zinc/25/29/67/357252967.db2.gz LIKXJDGTMGZRIH-FRRDWIJNSA-N 2 0 210.365 1.964 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000394034330 357315996 /nfs/dbraw/zinc/31/59/96/357315996.db2.gz FTOHIZXBCRVECE-TUAOUCFPSA-N 2 0 214.353 1.110 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc2cnn(C)c2c1 ZINC000582481405 357317018 /nfs/dbraw/zinc/31/70/18/357317018.db2.gz AOBCXKCXBRJZPX-QWRGUYRKSA-N 2 0 246.358 1.789 20 0 BDADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)CCCC[NH3+] ZINC000582595861 357346493 /nfs/dbraw/zinc/34/64/93/357346493.db2.gz YCSPXRTXFVIHGF-LLVKDONJSA-N 2 0 241.379 1.010 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623408020 357403727 /nfs/dbraw/zinc/40/37/27/357403727.db2.gz DWDCMWMRTZJEHA-AAEUAGOBSA-N 2 0 228.380 1.610 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@H](CO)C1CCCCC1 ZINC000395215243 357428137 /nfs/dbraw/zinc/42/81/37/357428137.db2.gz KFFDIYHSECESNN-WCQYABFASA-N 2 0 228.380 1.645 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2COC(C)(C)C2)C1 ZINC000396842750 357486016 /nfs/dbraw/zinc/48/60/16/357486016.db2.gz DUNKINQLXPVKDD-NEPJUHHUSA-N 2 0 226.364 1.485 20 0 BDADRP CNCc1noc([C@H](N)Cc2ccccc2)n1 ZINC000583143002 357492606 /nfs/dbraw/zinc/49/26/06/357492606.db2.gz UDPCUVZEWDENEE-SNVBAGLBSA-N 2 0 232.287 1.032 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+]CC1CC[NH2+]CC1 ZINC000230483454 357526186 /nfs/dbraw/zinc/52/61/86/357526186.db2.gz HOLKKWNGNCVENW-CYBMUJFWSA-N 2 0 228.380 1.373 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)O)CC1(C)C ZINC000623412365 357586609 /nfs/dbraw/zinc/58/66/09/357586609.db2.gz GAWRDSODIBQJHP-SNVBAGLBSA-N 2 0 214.353 1.220 20 0 BDADRP O=c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c[nH]1 ZINC000392704392 357596061 /nfs/dbraw/zinc/59/60/61/357596061.db2.gz VLTXOHXHAKKUBI-CHWSQXEVSA-N 2 0 247.342 1.504 20 0 BDADRP C[NH+](C)CCOCC[NH2+]C1CCCCCC1 ZINC000231676782 357620081 /nfs/dbraw/zinc/62/00/81/357620081.db2.gz OETBNDPOGXSZBI-UHFFFAOYSA-N 2 0 228.380 1.877 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)C[NH3+] ZINC000423302126 192690928 /nfs/dbraw/zinc/69/09/28/192690928.db2.gz HCOGTPVHTBEBML-SRVKXCTJSA-N 2 0 214.353 1.376 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCC2(O)CCC2)C1 ZINC000397765913 357681941 /nfs/dbraw/zinc/68/19/41/357681941.db2.gz YWTCXTCBDUEEAI-GHMZBOCLSA-N 2 0 212.337 1.151 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CC2=CCOCC2)C1 ZINC000397770348 357694693 /nfs/dbraw/zinc/69/46/93/357694693.db2.gz PMOLLADKDSNERR-NWDGAFQWSA-N 2 0 210.321 1.193 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC2=CCOCC2)C1 ZINC000397770346 357695141 /nfs/dbraw/zinc/69/51/41/357695141.db2.gz PMOLLADKDSNERR-NEPJUHHUSA-N 2 0 210.321 1.193 20 0 BDADRP COCCCCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000234629911 357820463 /nfs/dbraw/zinc/82/04/63/357820463.db2.gz IQSCVUCLEXGPPR-STQMWFEESA-N 2 0 228.380 1.910 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CC1(C(C)C)CC1 ZINC000234712632 357827277 /nfs/dbraw/zinc/82/72/77/357827277.db2.gz SLFWBXGUWCDCHC-GFCCVEGCSA-N 2 0 228.380 1.766 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CCc1cccs1 ZINC000234786685 357828618 /nfs/dbraw/zinc/82/86/18/357828618.db2.gz ZAJYMOYBZRALJA-NSHDSACASA-N 2 0 242.388 1.634 20 0 BDADRP CN(C[C@@H]1CCC[N@@H+]1C)C[C@@H]1CCC[NH2+]C1 ZINC000086188744 357871981 /nfs/dbraw/zinc/87/19/81/357871981.db2.gz JTFKXJLLIMVYTB-OLZOCXBDSA-N 2 0 225.380 1.012 20 0 BDADRP C[NH+](C)CC1CC[NH+](CCC(C)(C)O)CC1 ZINC000086234111 357873389 /nfs/dbraw/zinc/87/33/89/357873389.db2.gz NWDGQDWKFMUETP-UHFFFAOYSA-N 2 0 228.380 1.421 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000398494295 357886167 /nfs/dbraw/zinc/88/61/67/357886167.db2.gz UOYYBTMZHQPLRL-GRYCIOLGSA-N 2 0 214.353 1.397 20 0 BDADRP CCC[N@H+](CC)CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000217646135 357909597 /nfs/dbraw/zinc/90/95/97/357909597.db2.gz ONCRVRJGTWQCBW-OLZOCXBDSA-N 2 0 227.396 1.578 20 0 BDADRP CSC1(C[NH2+][C@H](C)[C@@H](C)O)CC[NH+](C)CC1 ZINC000584465625 357992882 /nfs/dbraw/zinc/99/28/82/357992882.db2.gz SJSLSBBZPCEXOY-GHMZBOCLSA-N 2 0 246.420 1.173 20 0 BDADRP CCC1([NH+](C)C)CC[NH+](CCC(C)(C)O)CC1 ZINC000640016313 358076590 /nfs/dbraw/zinc/07/65/90/358076590.db2.gz XZPNSBMVIOQZKX-UHFFFAOYSA-N 2 0 242.407 1.954 20 0 BDADRP CC[NH+]1CCC(C[NH2+]C2CC(OC)C2)CC1 ZINC000221107970 358076813 /nfs/dbraw/zinc/07/68/13/358076813.db2.gz YEPFFROCYXQQCT-UHFFFAOYSA-N 2 0 226.364 1.485 20 0 BDADRP COC1CC([NH2+]C[C@H]2CCC[N@H+](C)C2)C1 ZINC000221113870 358077185 /nfs/dbraw/zinc/07/71/85/358077185.db2.gz RSDPBQUTSLKNKY-VOMCLLRMSA-N 2 0 212.337 1.095 20 0 BDADRP [NH3+]CCCC[NH2+]Cc1ccc(F)cc1F ZINC000037714622 358092658 /nfs/dbraw/zinc/09/26/58/358092658.db2.gz PZCUWDPAZALVFK-UHFFFAOYSA-N 2 0 214.259 1.793 20 0 BDADRP CCC[N@H+](CC)CCN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000217703668 134250321 /nfs/dbraw/zinc/25/03/21/134250321.db2.gz QTRQVUORPDARPM-ZIAGYGMSSA-N 2 0 241.423 1.825 20 0 BDADRP C[C@H](O)C[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000037901256 358097354 /nfs/dbraw/zinc/09/73/54/358097354.db2.gz CZYIQCFBCNXCCG-LBPRGKRZSA-N 2 0 228.380 1.611 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2(O)CCCCC2)CC[N@@H+]1C ZINC000134027488 325338558 /nfs/dbraw/zinc/33/85/58/325338558.db2.gz LKAHILGNLWQVRO-CHWSQXEVSA-N 2 0 240.391 1.754 20 0 BDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CCC[NH3+] ZINC000584839346 358198768 /nfs/dbraw/zinc/19/87/68/358198768.db2.gz ZNTCIOZATMXVLJ-RYUDHWBXSA-N 2 0 241.379 1.104 20 0 BDADRP CCC([NH3+])(CC)CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000584851183 358209576 /nfs/dbraw/zinc/20/95/76/358209576.db2.gz VWYOKCZQTACSCF-GHMZBOCLSA-N 3 0 213.369 1.363 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H](CO)c2ccccc2)C1 ZINC000223008681 358213875 /nfs/dbraw/zinc/21/38/75/358213875.db2.gz RNWAUZMOAOMUHV-MCIONIFRSA-N 2 0 234.343 1.580 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCCO2)C1 ZINC000222987543 358217341 /nfs/dbraw/zinc/21/73/41/358217341.db2.gz FKBUMPCKCICVAL-WOPDTQHZSA-N 2 0 212.337 1.415 20 0 BDADRP Cc1cnc(CN2CC[C@@H]([NH3+])C[C@@H]2C)o1 ZINC000227256744 358352665 /nfs/dbraw/zinc/35/26/65/358352665.db2.gz XRHDLOKTRCZPRX-WCBMZHEXSA-N 2 0 209.293 1.295 20 0 BDADRP CCC[C@H](CCO)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000227416785 358356590 /nfs/dbraw/zinc/35/65/90/358356590.db2.gz FYMGSDXKUSUHPS-UPJWGTAASA-N 2 0 228.380 1.645 20 0 BDADRP C[C@@H]1C[NH+](CC[C@H]2CC[NH2+]C2)C[C@@H](C)S1 ZINC000227638831 358360999 /nfs/dbraw/zinc/36/09/99/358360999.db2.gz FKMNFEAFINMLJP-IJLUTSLNSA-N 2 0 228.405 1.812 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC2CCSCC2)C1 ZINC000229215125 358367193 /nfs/dbraw/zinc/36/71/93/358367193.db2.gz OSPSHAKQNUQOSJ-VXGBXAGGSA-N 2 0 228.405 1.989 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CC2CCSCC2)C1 ZINC000229215111 358367765 /nfs/dbraw/zinc/36/77/65/358367765.db2.gz OSPSHAKQNUQOSJ-RYUDHWBXSA-N 2 0 228.405 1.989 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCSC2)CC1 ZINC000044517358 358388792 /nfs/dbraw/zinc/38/87/92/358388792.db2.gz SRBZVUBMPOOLPU-GFCCVEGCSA-N 2 0 228.405 1.813 20 0 BDADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C[C@@H]1CCCO1 ZINC000173952233 134276993 /nfs/dbraw/zinc/27/69/93/134276993.db2.gz FXQZOKPVTZUWGO-KBPBESRZSA-N 2 0 240.391 1.972 20 0 BDADRP COCCCC[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000044659222 358392294 /nfs/dbraw/zinc/39/22/94/358392294.db2.gz MZWWXDVKJHYOQT-MNOVXSKESA-N 2 0 200.326 1.225 20 0 BDADRP C[C@@H]1C[C@@H](NCC(C)(C)[NH+](C)C)CC[N@@H+]1C ZINC000129581643 491132157 /nfs/dbraw/zinc/13/21/57/491132157.db2.gz OHFDPZZSPDUQRH-NEPJUHHUSA-N 2 0 227.396 1.399 20 0 BDADRP C[C@@H](CCO)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623426386 358397641 /nfs/dbraw/zinc/39/76/41/358397641.db2.gz LYFIUDHTDPBMDX-QWRGUYRKSA-N 2 0 214.353 1.220 20 0 BDADRP C[C@H](CCO)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623426385 358397674 /nfs/dbraw/zinc/39/76/74/358397674.db2.gz LYFIUDHTDPBMDX-MNOVXSKESA-N 2 0 214.353 1.220 20 0 BDADRP COCC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000045038845 358400450 /nfs/dbraw/zinc/40/04/50/358400450.db2.gz RNMSDKUJCBRMHA-VXGBXAGGSA-N 2 0 214.353 1.343 20 0 BDADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccccc1 ZINC000219305115 134281576 /nfs/dbraw/zinc/28/15/76/134281576.db2.gz PSLOASSGWFKTAB-CYBMUJFWSA-N 2 0 236.359 1.915 20 0 BDADRP CCC(CC)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000129968859 358603050 /nfs/dbraw/zinc/60/30/50/358603050.db2.gz NRUDYAIMCMUJFK-ZDUSSCGKSA-N 2 0 228.380 1.469 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+]C2CCC(OC)CC2)C1 ZINC000129996851 358604058 /nfs/dbraw/zinc/60/40/58/358604058.db2.gz IIIPKQGKTPMHGZ-HSBZDZAISA-N 2 0 240.391 1.875 20 0 BDADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(O)CC1 ZINC000049856238 358703210 /nfs/dbraw/zinc/70/32/10/358703210.db2.gz PKDQLYGPABERRF-LBPRGKRZSA-N 2 0 226.364 1.318 20 0 BDADRP CC(C)[C@@H]([NH3+])CCN(C)Cc1cncn1C ZINC000133293498 358749550 /nfs/dbraw/zinc/74/95/50/358749550.db2.gz BEJAYALNYZOFBV-LBPRGKRZSA-N 2 0 224.352 1.225 20 0 BDADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(CO)CC1 ZINC000050104773 358716404 /nfs/dbraw/zinc/71/64/04/358716404.db2.gz FCTKOFDTRORBIY-AWEZNQCLSA-N 2 0 240.391 1.565 20 0 BDADRP C[NH2+][C@H]1CCN(CCCOc2ccccc2)C1 ZINC000052092356 358772358 /nfs/dbraw/zinc/77/23/58/358772358.db2.gz XMTGOBKLQAXTNE-ZDUSSCGKSA-N 2 0 234.343 1.749 20 0 BDADRP COC(=O)CC[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523518 358899248 /nfs/dbraw/zinc/89/92/48/358899248.db2.gz OANOEHYYZLLHET-UHFFFAOYSA-N 2 0 242.363 1.213 20 0 BDADRP COc1cc(C[NH2+]CCCC[NH+](C)C)sn1 ZINC000399113137 366507244 /nfs/dbraw/zinc/50/72/44/366507244.db2.gz IZPRMXYVXAKKSO-UHFFFAOYSA-N 2 0 243.376 1.583 20 0 BDADRP CCCCOCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000086403465 358967799 /nfs/dbraw/zinc/96/77/99/358967799.db2.gz CZZPYHAMGQHVQE-RYUDHWBXSA-N 2 0 214.353 1.663 20 0 BDADRP C[C@]1(CN[C@H]2CCC[C@H]([NH3+])C2)CCC[NH2+]C1 ZINC000578338029 366528456 /nfs/dbraw/zinc/52/84/56/366528456.db2.gz ZQMQISAPNDTFBR-AVGNSLFASA-N 2 0 225.380 1.236 20 0 BDADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccnn1C ZINC000423330806 192711607 /nfs/dbraw/zinc/71/16/07/192711607.db2.gz NVKYIZDIGCMFRJ-LLVKDONJSA-N 2 0 236.363 1.460 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cccnc2)[C@@H](C)C1 ZINC000247186643 359200019 /nfs/dbraw/zinc/20/00/19/359200019.db2.gz VNWTWSIJNHDOPG-DZGCQCFKSA-N 2 0 247.386 1.944 20 0 BDADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCCO3)CC[C@H]21 ZINC000248169033 359257488 /nfs/dbraw/zinc/25/74/88/359257488.db2.gz UJLSIAXTIPBZTK-HZSPNIEDSA-N 2 0 238.375 1.582 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1C[C@H]1C)C1CC[NH+](C)CC1 ZINC000132825061 491139738 /nfs/dbraw/zinc/13/97/38/491139738.db2.gz GIHUYNOZHIRVOZ-MDZLAQPJSA-N 2 0 210.365 1.962 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423425477 192750771 /nfs/dbraw/zinc/75/07/71/192750771.db2.gz GUSFZPZFMTXWLU-SDDRHHMPSA-N 3 0 213.369 1.234 20 0 BDADRP CCOC[C@@H](C)[NH2+]CC1CC[NH2+]CC1 ZINC000086700965 359355576 /nfs/dbraw/zinc/35/55/76/359355576.db2.gz UQJANBOHRJQLHG-SNVBAGLBSA-N 2 0 200.326 1.001 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+]CC2(CO)CC2)CC1(C)C ZINC000623438108 359331799 /nfs/dbraw/zinc/33/17/99/359331799.db2.gz LTAOGERTLRGXEY-LLVKDONJSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H](CCCO)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623444947 359338201 /nfs/dbraw/zinc/33/82/01/359338201.db2.gz XRBDBLGTIBIIKP-NWDGAFQWSA-N 2 0 228.380 1.610 20 0 BDADRP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)CCC[NH3+] ZINC000423453993 192775976 /nfs/dbraw/zinc/77/59/76/192775976.db2.gz LEDOZZDPHZACSO-AGIUHOORSA-N 2 0 228.380 1.909 20 0 BDADRP COCCC[C@H](C)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423478257 192789070 /nfs/dbraw/zinc/78/90/70/192789070.db2.gz KWDMHKMKYACOBQ-QWHCGFSZSA-N 2 0 228.380 1.923 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccn(C)n1 ZINC000423498122 192794809 /nfs/dbraw/zinc/79/48/09/192794809.db2.gz GMEOBVPDCMTGFU-UTUOFQBUSA-N 2 0 236.363 1.588 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1cccc(CO)c1 ZINC000423496550 192795228 /nfs/dbraw/zinc/79/52/28/192795228.db2.gz WYIUYZLUZMIBOS-YWPYICTPSA-N 2 0 248.370 1.957 20 0 BDADRP CC1(C)[C@@H]2C[N@@H+](CC[C@@H]3CCC[NH2+]C3)C[C@@H]21 ZINC000379563060 359544270 /nfs/dbraw/zinc/54/42/70/359544270.db2.gz YQZOYMKPTPTHEF-RWMBFGLXSA-N 2 0 222.376 1.964 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)CC2(C[NH3+])CC2)cc1 ZINC000423714725 192825714 /nfs/dbraw/zinc/82/57/14/192825714.db2.gz YMTBVVSOFNFHLU-UHFFFAOYSA-N 2 0 247.342 1.474 20 0 BDADRP C[C@@H](CCCCO)[NH2+]CCN1CCCC1 ZINC000309002033 491142177 /nfs/dbraw/zinc/14/21/77/491142177.db2.gz OJXOHKVAAQYZAP-LBPRGKRZSA-N 2 0 214.353 1.223 20 0 BDADRP C[C@@H]([NH3+])CCC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000430635472 192882453 /nfs/dbraw/zinc/88/24/53/192882453.db2.gz VOLFKJZMQDISHY-GHMZBOCLSA-N 2 0 241.379 1.008 20 0 BDADRP Cc1cc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc[nH+]1 ZINC000450785646 202266739 /nfs/dbraw/zinc/26/67/39/202266739.db2.gz BMGXZTOTZSDQSE-OKILXGFUSA-N 2 0 247.342 1.087 20 0 BDADRP C[N@H+](C[C@H](O)CN1CCC[C@@](C)(F)C1)C1CC1 ZINC000451112896 202353883 /nfs/dbraw/zinc/35/38/83/202353883.db2.gz IUXCIOWOKPGDJM-QWHCGFSZSA-N 2 0 244.354 1.266 20 0 BDADRP CC1CC[NH+](CCC[NH2+]C2CSC2)CC1 ZINC000309103959 491145038 /nfs/dbraw/zinc/14/50/38/491145038.db2.gz HAIVBEXLZXRPRN-UHFFFAOYSA-N 2 0 228.405 1.813 20 0 BDADRP CC[C@@H]1[C@H](CO)CC[N@@H+]1CCC[NH+](CC)CC ZINC000451260886 202388220 /nfs/dbraw/zinc/38/82/20/202388220.db2.gz VDMSMDZFOJZUIJ-UONOGXRCSA-N 2 0 242.407 1.811 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+]CCC[NH+](C)C)C12CCC2 ZINC000087708852 359924528 /nfs/dbraw/zinc/92/45/28/359924528.db2.gz KHVZROJSYWSHLX-OLZOCXBDSA-N 2 0 240.391 1.875 20 0 BDADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCCC(C)(C)C1 ZINC000578875271 366664555 /nfs/dbraw/zinc/66/45/55/366664555.db2.gz MXSDPKGXEJEGDB-LBPRGKRZSA-N 2 0 214.353 1.079 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1ccccn1 ZINC000089139532 359991936 /nfs/dbraw/zinc/99/19/36/359991936.db2.gz QCQYJKVQQQKFPC-TZMCWYRMSA-N 2 0 233.359 1.731 20 0 BDADRP CCN1CC[C@@H]([NH2+][C@@H](C)c2ccnc(OC)c2)C1 ZINC000578905568 366672803 /nfs/dbraw/zinc/67/28/03/366672803.db2.gz DGLKQDHSOMEQMQ-WCQYABFASA-N 2 0 249.358 1.835 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CC1(O)CCCCC1 ZINC000089146684 359992973 /nfs/dbraw/zinc/99/29/73/359992973.db2.gz YYEFIKSUSJVZRJ-OLZOCXBDSA-N 2 0 240.391 1.789 20 0 BDADRP C[N@H+](CCN[C@@H]1CCC[C@@H]1C[NH3+])C1CCCC1 ZINC000089150671 359994425 /nfs/dbraw/zinc/99/44/25/359994425.db2.gz HUVUKTCLWYTOIN-TZMCWYRMSA-N 2 0 239.407 1.578 20 0 BDADRP CCC(CC)(CO)C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000090800841 360090167 /nfs/dbraw/zinc/09/01/67/360090167.db2.gz MCIKLZZUXMBKOU-QWHCGFSZSA-N 2 0 242.407 1.715 20 0 BDADRP CC[C@H](C)C[NH2+]C[C@@H](C)N1CC[NH+](CC)CC1 ZINC000093061754 360213350 /nfs/dbraw/zinc/21/33/50/360213350.db2.gz NGEAPSLNEFSHCA-UONOGXRCSA-N 2 0 241.423 1.648 20 0 BDADRP CC[NH+](CC)CCCN[C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000093462342 360245928 /nfs/dbraw/zinc/24/59/28/360245928.db2.gz JCCLTYNJEBSOLX-KGLIPLIRSA-N 2 0 241.423 1.839 20 0 BDADRP [NH3+]CCCOC1CC[NH+](Cc2ccncc2)CC1 ZINC000094069812 360294827 /nfs/dbraw/zinc/29/48/27/360294827.db2.gz RHPWLKOLZUMUJV-UHFFFAOYSA-N 2 0 249.358 1.411 20 0 BDADRP CN1CCN(C)[C@H](C[NH2+][C@H]2CCCC2(C)C)C1 ZINC000094308965 360302799 /nfs/dbraw/zinc/30/27/99/360302799.db2.gz XUXHDQDLDSHLMH-OLZOCXBDSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@H](C(=O)NC(C)(C)C)N(C)CC(C)(C)C[NH3+] ZINC000093874337 360286332 /nfs/dbraw/zinc/28/63/32/360286332.db2.gz JMTWBEPETUAERP-SNVBAGLBSA-N 2 0 243.395 1.206 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](CO)C2)CC1(C)C ZINC000631197353 360711216 /nfs/dbraw/zinc/71/12/16/360711216.db2.gz BEIXTJKOEUUDLF-SDDRHHMPSA-N 2 0 226.364 1.220 20 0 BDADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000449604761 200694322 /nfs/dbraw/zinc/69/43/22/200694322.db2.gz UPEILVXZBCFEJI-SRVKXCTJSA-N 2 0 241.379 1.103 20 0 BDADRP C[C@@H](C[NH2+][C@H](C)CC[NH3+])CC1CCOCC1 ZINC000414902984 200778904 /nfs/dbraw/zinc/77/89/04/200778904.db2.gz ZCPFBVKFSNVCKN-VXGBXAGGSA-N 2 0 228.380 1.766 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H](C)CC(C)C ZINC000629392418 361041181 /nfs/dbraw/zinc/04/11/81/361041181.db2.gz NGAAONBQUURSSC-NSHDSACASA-N 2 0 202.342 1.247 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H](C)CCc1ccco1 ZINC000629391613 361045925 /nfs/dbraw/zinc/04/59/25/361045925.db2.gz BPKANSAGBIHTGQ-LBPRGKRZSA-N 2 0 240.347 1.426 20 0 BDADRP [NH3+]CCCOCC[NH2+]C1CCCCCC1 ZINC000629397896 361047570 /nfs/dbraw/zinc/04/75/70/361047570.db2.gz GCWCYNKHOBHCQR-UHFFFAOYSA-N 2 0 214.353 1.664 20 0 BDADRP CCC1CCC([NH2+]CCOCCC[NH3+])CC1 ZINC000629397743 361048132 /nfs/dbraw/zinc/04/81/32/361048132.db2.gz CEFYFUWNGRVTTQ-UHFFFAOYSA-N 2 0 228.380 1.910 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H](C)CCC(F)(F)F ZINC000629404064 361050099 /nfs/dbraw/zinc/05/00/99/361050099.db2.gz IKPGMFPPVDNILZ-SECBINFHSA-N 2 0 242.285 1.543 20 0 BDADRP CC(C)[C@@H]1CCC[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629401097 361051877 /nfs/dbraw/zinc/05/18/77/361051877.db2.gz OXQVUHWAXPEGOK-STQMWFEESA-N 2 0 228.380 1.766 20 0 BDADRP COC1CCC([NH2+][C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000629406560 361052511 /nfs/dbraw/zinc/05/25/11/361052511.db2.gz NXJOHUOJUZQJSC-WNYYMSAVSA-N 2 0 212.337 1.284 20 0 BDADRP C[NH2+]CCOCC[NH2+]C1CCC(C)(C)CC1 ZINC000629406775 361052572 /nfs/dbraw/zinc/05/25/72/361052572.db2.gz XMGJULRLCJAYOH-UHFFFAOYSA-N 2 0 228.380 1.781 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C)NC2)CCO1 ZINC000629418384 361062946 /nfs/dbraw/zinc/06/29/46/361062946.db2.gz XNZFGHAYUURGIG-MQYQWHSLSA-N 2 0 240.391 1.920 20 0 BDADRP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CC2([NH3+])CCOCC2)C1 ZINC000629521443 361117850 /nfs/dbraw/zinc/11/78/50/361117850.db2.gz QKGOPJZHWVXFLS-JHJVBQTASA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629518707 361119087 /nfs/dbraw/zinc/11/90/87/361119087.db2.gz BPULNPOMQJSRRR-NEPJUHHUSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629518709 361119237 /nfs/dbraw/zinc/11/92/37/361119237.db2.gz BPULNPOMQJSRRR-RYUDHWBXSA-N 2 0 240.391 1.909 20 0 BDADRP COCCC[C@@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000629516613 361115072 /nfs/dbraw/zinc/11/50/72/361115072.db2.gz LRKYDICIHOZKIR-VXGBXAGGSA-N 2 0 226.364 1.676 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+]CC2([NH3+])CCOCC2)C1 ZINC000629520176 361115089 /nfs/dbraw/zinc/11/50/89/361115089.db2.gz KXMWFUUZMULJMJ-NEPJUHHUSA-N 2 0 242.363 1.042 20 0 BDADRP COCCC[C@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000629516612 361115265 /nfs/dbraw/zinc/11/52/65/361115265.db2.gz LRKYDICIHOZKIR-RYUDHWBXSA-N 2 0 226.364 1.676 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1CCCN1C ZINC000629520138 361115558 /nfs/dbraw/zinc/11/55/58/361115558.db2.gz UECOTXCTSUZOLA-YNEHKIRRSA-N 2 0 225.380 1.058 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000629528140 361131997 /nfs/dbraw/zinc/13/19/97/361131997.db2.gz QFEJMSNECBCIMJ-YVECIDJPSA-N 2 0 225.380 1.234 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000629528471 361136745 /nfs/dbraw/zinc/13/67/45/361136745.db2.gz ZTCXSLYAPONCEO-YVECIDJPSA-N 2 0 225.380 1.247 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000629529277 361137966 /nfs/dbraw/zinc/13/79/66/361137966.db2.gz XMOQHZHCHVVCET-NSHDSACASA-N 2 0 240.322 1.712 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H](C)c1cncc(F)c1 ZINC000629529266 361137977 /nfs/dbraw/zinc/13/79/77/361137977.db2.gz WYVFOUKZYJBJFY-SNVBAGLBSA-N 2 0 241.310 1.107 20 0 BDADRP CCc1ccc([C@H](C)[NH2+]CCOCC[NH2+]C)o1 ZINC000629529142 361138719 /nfs/dbraw/zinc/13/87/19/361138719.db2.gz SNGOTUHOGCBIKE-NSHDSACASA-N 2 0 240.347 1.729 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@@H]1CCOC ZINC000629530331 361144443 /nfs/dbraw/zinc/14/44/43/361144443.db2.gz CUHDDTULMSXXKS-CHWSQXEVSA-N 2 0 244.379 1.017 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CCCc2occc21 ZINC000629530430 361144575 /nfs/dbraw/zinc/14/45/75/361144575.db2.gz GWGTVBUXJDMUDH-GFCCVEGCSA-N 2 0 238.331 1.483 20 0 BDADRP CCO[C@@H](C[N@@H+]1CCC[C@@H](CC[NH3+])C1)C1CC1 ZINC000629530159 361147980 /nfs/dbraw/zinc/14/79/80/361147980.db2.gz XAFWZDMNHVNSOT-JSGCOSHPSA-N 2 0 240.391 1.862 20 0 BDADRP CCO[C@H](C[N@H+](C)C1CC([NH3+])C1)C1CC1 ZINC000629532531 361152373 /nfs/dbraw/zinc/15/23/73/361152373.db2.gz GBBDRQKZBNXYMQ-HTAVTVPLSA-N 2 0 212.337 1.223 20 0 BDADRP CCSCC[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000159237533 361226809 /nfs/dbraw/zinc/22/68/09/361226809.db2.gz BUYKMHWTIYKDDE-UWVGGRQHSA-N 2 0 202.367 1.409 20 0 BDADRP C[C@@H](C(N)=O)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532280 361302302 /nfs/dbraw/zinc/30/23/02/361302302.db2.gz SAFPSXLKRWHBLD-LBPRGKRZSA-N 2 0 241.379 1.058 20 0 BDADRP [NH3+]C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)C1CCCC1 ZINC000579024114 366697969 /nfs/dbraw/zinc/69/79/69/366697969.db2.gz BAPBFRBKUFSKDO-AVGNSLFASA-N 2 0 225.380 1.363 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H](F)C1)[C@H]1CC[NH2+]C1 ZINC000579232639 366728757 /nfs/dbraw/zinc/72/87/57/366728757.db2.gz RWEPQHSMMJOCPR-NNYUYHANSA-N 2 0 214.328 1.855 20 0 BDADRP CC[NH2+]CCCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000579225183 366737193 /nfs/dbraw/zinc/73/71/93/366737193.db2.gz TZSSQWRYOQYNPE-NWDGAFQWSA-N 2 0 213.369 1.236 20 0 BDADRP [NH3+]CCCOCCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000629539420 361406117 /nfs/dbraw/zinc/40/61/17/361406117.db2.gz QYJRRTWHMXUBNL-ZIAGYGMSSA-N 2 0 249.358 1.086 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)[C@]23C[C@H]2CC[NH2+]3)c1 ZINC000580768595 366760558 /nfs/dbraw/zinc/76/05/58/366760558.db2.gz BFBOUYOYUQWYJX-RISCZKNCSA-N 2 0 245.326 1.097 20 0 BDADRP [NH3+]CCCOCC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000629536340 361398660 /nfs/dbraw/zinc/39/86/60/361398660.db2.gz GDUMQZTUPUFSDX-OLZOCXBDSA-N 2 0 246.370 1.860 20 0 BDADRP [NH3+]CCCOCC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000629536342 361398773 /nfs/dbraw/zinc/39/87/73/361398773.db2.gz GDUMQZTUPUFSDX-STQMWFEESA-N 2 0 246.370 1.860 20 0 BDADRP [NH3+]C1(CN[C@H]2CCC[NH2+]CC2)CCCCC1 ZINC000333160237 181333088 /nfs/dbraw/zinc/33/30/88/181333088.db2.gz NTWLWEAPJJXCKU-LBPRGKRZSA-N 2 0 225.380 1.380 20 0 BDADRP [NH3+]C1(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CCC1 ZINC000333110333 181333118 /nfs/dbraw/zinc/33/31/18/181333118.db2.gz GGWXEDXTMFEEEL-FRRDWIJNSA-N 2 0 237.391 1.378 20 0 BDADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccsc1 ZINC000629538053 361402387 /nfs/dbraw/zinc/40/23/87/361402387.db2.gz LVOBXWHGYZMCHY-SNVBAGLBSA-N 2 0 228.361 1.764 20 0 BDADRP CCC[C@@H]([NH2+]CCOCCC[NH3+])C1CCC1 ZINC000629537859 361402493 /nfs/dbraw/zinc/40/24/93/361402493.db2.gz LKYMCURUMDOQIJ-CYBMUJFWSA-N 2 0 228.380 1.910 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000629538893 361403696 /nfs/dbraw/zinc/40/36/96/361403696.db2.gz PXKARIHQPJBVRS-MOLYVOAJSA-N 2 0 244.379 1.142 20 0 BDADRP CCO[C@H]1C[C@H](N[C@@H]2CC[NH2+][C@H]2C)C1(C)C ZINC000629543535 361411144 /nfs/dbraw/zinc/41/11/44/361411144.db2.gz BHJDSNKUZWQSHZ-USZNOCQGSA-N 2 0 226.364 1.530 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000429570591 201117551 /nfs/dbraw/zinc/11/75/51/201117551.db2.gz BHLORHTWHUYLKR-MVWJERBFSA-N 2 0 247.342 1.772 20 0 BDADRP CC[C@H]([NH2+]CCOCCC[NH3+])[C@H]1C[C@@H]1C ZINC000629541259 361415344 /nfs/dbraw/zinc/41/53/44/361415344.db2.gz XKCMYRRYKSTLJA-SRVKXCTJSA-N 2 0 214.353 1.376 20 0 BDADRP C[C@@H]1C[C@H]1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000430111933 201145605 /nfs/dbraw/zinc/14/56/05/201145605.db2.gz APMCJQUPOYXZTR-FRRDWIJNSA-N 2 0 208.349 1.670 20 0 BDADRP CCO[C@H](C[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1)C1CC1 ZINC000629545851 361426463 /nfs/dbraw/zinc/42/64/63/361426463.db2.gz AEDKFTGXJNPMPD-MCIONIFRSA-N 2 0 238.375 1.615 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc[nH]c2=O)C1 ZINC000629548859 361433990 /nfs/dbraw/zinc/43/39/90/361433990.db2.gz ZUUWUKJWOXBMMT-MNOVXSKESA-N 2 0 221.304 1.147 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000629554340 361441316 /nfs/dbraw/zinc/44/13/16/361441316.db2.gz HVPVZQYEZCNOAX-FVCCEPFGSA-N 2 0 226.364 1.389 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000629549550 361441580 /nfs/dbraw/zinc/44/15/80/361441580.db2.gz RYALJJLFKUZFAF-CCAROEGRSA-N 2 0 238.375 1.661 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000629554315 361442000 /nfs/dbraw/zinc/44/20/00/361442000.db2.gz HPQQLFVLCBYWTC-YVECIDJPSA-N 2 0 226.364 1.661 20 0 BDADRP CCO[C@H](C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C)C1CC1 ZINC000629550543 361442836 /nfs/dbraw/zinc/44/28/36/361442836.db2.gz ZEMIMVZAXGQMFV-CYZMBNFOSA-N 2 0 226.364 1.613 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000629549702 361443119 /nfs/dbraw/zinc/44/31/19/361443119.db2.gz UMQFGPBYKQPZPA-CRWXNKLISA-N 2 0 238.375 1.804 20 0 BDADRP CCO[C@H](C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C)C1CC1 ZINC000629550547 361443175 /nfs/dbraw/zinc/44/31/75/361443175.db2.gz ZEMIMVZAXGQMFV-WCFLWFBJSA-N 2 0 226.364 1.613 20 0 BDADRP CN1CCC[C@H]1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000629551812 361443728 /nfs/dbraw/zinc/44/37/28/361443728.db2.gz XSTVEHIHMGUNOC-FQUUOJAGSA-N 2 0 237.391 1.058 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@H](C)CCCC[NH3+])C1 ZINC000629555621 361446888 /nfs/dbraw/zinc/44/68/88/361446888.db2.gz ZFAPBYKZOOZJFH-UTUOFQBUSA-N 2 0 214.353 1.519 20 0 BDADRP CN(CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1)CC(F)F ZINC000629555362 361447101 /nfs/dbraw/zinc/44/71/01/361447101.db2.gz VIXRZCPURKZACI-ZJUUUORDSA-N 2 0 235.322 1.043 20 0 BDADRP C[C@@H]1CC[C@H](N[C@@H]2CCCC[C@@H]2C[NH3+])C[NH2+]1 ZINC000629542022 361417774 /nfs/dbraw/zinc/41/77/74/361417774.db2.gz WXXWDCOZMQMHMN-FVCCEPFGSA-N 2 0 225.380 1.234 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)CCC=C(C)C ZINC000629571074 361460805 /nfs/dbraw/zinc/46/08/05/361460805.db2.gz GQGCNGZNRYUWOF-UHFFFAOYSA-N 2 0 214.353 1.511 20 0 BDADRP C[C@H](c1cccc(F)c1)[N@H+](C)CCOCC[NH3+] ZINC000629578107 361467677 /nfs/dbraw/zinc/46/76/77/361467677.db2.gz GPOUSPWPOFJYJK-LLVKDONJSA-N 2 0 240.322 1.794 20 0 BDADRP Oc1cccc2c1CC[N@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000629582652 361472338 /nfs/dbraw/zinc/47/23/38/361472338.db2.gz WECMHTTYKMXSQW-GFCCVEGCSA-N 2 0 246.354 1.750 20 0 BDADRP COCC(C)(C)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430940223 201160068 /nfs/dbraw/zinc/16/00/68/201160068.db2.gz JJGTZSHORJAVQX-UHFFFAOYSA-N 2 0 240.391 1.735 20 0 BDADRP Oc1cccc2c1CC[N@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000629582654 361473159 /nfs/dbraw/zinc/47/31/59/361473159.db2.gz WECMHTTYKMXSQW-LBPRGKRZSA-N 2 0 246.354 1.750 20 0 BDADRP [NH3+]CCCN1CCOc2cc(F)ccc2C1 ZINC000629595376 361481981 /nfs/dbraw/zinc/48/19/81/361481981.db2.gz NVCQTTYUSYIECQ-UHFFFAOYSA-N 2 0 224.279 1.369 20 0 BDADRP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CC1CCC1)C2 ZINC000629596022 361483760 /nfs/dbraw/zinc/48/37/60/361483760.db2.gz PWPZJSDFBDUQGS-BETUJISGSA-N 2 0 208.349 1.718 20 0 BDADRP C/C=C\C[C@@H]1CCC[N@@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000629594412 361486455 /nfs/dbraw/zinc/48/64/55/361486455.db2.gz CDBFRZAUHCUEPM-VSVUCHCSSA-N 2 0 240.391 1.635 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)CCC(C)C ZINC000629562709 361455921 /nfs/dbraw/zinc/45/59/21/361455921.db2.gz FLQOGSSBJOGLOS-UHFFFAOYSA-N 2 0 202.342 1.200 20 0 BDADRP CC[C@H](C(=O)Nc1ccc([C@@H](C)[NH3+])cc1)[NH+](C)C ZINC000629611695 361501745 /nfs/dbraw/zinc/50/17/45/361501745.db2.gz AHYHCULWSDVQLS-ZWNOBZJWSA-N 2 0 249.358 1.985 20 0 BDADRP CC[C@@H](C(=O)NC[C@@H]([NH3+])c1ccccc1)[NH+](C)C ZINC000629615567 361504636 /nfs/dbraw/zinc/50/46/36/361504636.db2.gz VEILJXIFVJNNID-OLZOCXBDSA-N 2 0 249.358 1.143 20 0 BDADRP CC[C@H](C(=O)NC[C@H]([NH3+])c1ccccc1)[NH+](C)C ZINC000629615568 361505048 /nfs/dbraw/zinc/50/50/48/361505048.db2.gz VEILJXIFVJNNID-QWHCGFSZSA-N 2 0 249.358 1.143 20 0 BDADRP CCCC[C@@H](COC)[NH2+]CCC[NH+](C)C ZINC000151938734 201187464 /nfs/dbraw/zinc/18/74/64/201187464.db2.gz JVGFRADSKJHGTJ-LBPRGKRZSA-N 2 0 216.369 1.733 20 0 BDADRP CC[C@@H]1C[N@H+](CC2=CCCOC2)CC[C@@H]1[NH3+] ZINC000629651958 361558345 /nfs/dbraw/zinc/55/83/45/361558345.db2.gz QREZDUXQSGYBRE-OLZOCXBDSA-N 2 0 224.348 1.392 20 0 BDADRP Cn1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000629654544 361558750 /nfs/dbraw/zinc/55/87/50/361558750.db2.gz QYTROBZBHXHMHV-CYBMUJFWSA-N 2 0 221.348 1.728 20 0 BDADRP CCOCC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152385627 201198881 /nfs/dbraw/zinc/19/88/81/201198881.db2.gz WJTAPPBHHICBLC-GFCCVEGCSA-N 2 0 214.353 1.297 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCSC1 ZINC000629655514 361560147 /nfs/dbraw/zinc/56/01/47/361560147.db2.gz YOKDAOWCICUWJA-GARJFASQSA-N 2 0 214.378 1.470 20 0 BDADRP C[C@@H](CC[NH3+])[NH2+]CC1=Cc2ccccc2OC1 ZINC000629647760 361538141 /nfs/dbraw/zinc/53/81/41/361538141.db2.gz IAWNYJWOGWBKQI-NSHDSACASA-N 2 0 232.327 1.789 20 0 BDADRP Cc1cnccc1C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000629647923 361539334 /nfs/dbraw/zinc/53/93/34/361539334.db2.gz KNNATFOYXQIHOQ-UHFFFAOYSA-N 2 0 233.359 1.869 20 0 BDADRP C[C@@H]1CC[C@H](NCC[NH2+]C(C)(C)C)C[NH2+]1 ZINC000629659976 361564158 /nfs/dbraw/zinc/56/41/58/361564158.db2.gz KXVCNGLDKCZZJM-MNOVXSKESA-N 2 0 213.369 1.105 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NCC(C)(C)[NH+](C)C ZINC000152608713 201203591 /nfs/dbraw/zinc/20/35/91/201203591.db2.gz GGPOPSWOPDXTKN-NEPJUHHUSA-N 2 0 227.396 1.256 20 0 BDADRP COCc1ccc(C[NH2+][C@H](C)CCC[NH3+])o1 ZINC000629649026 361543263 /nfs/dbraw/zinc/54/32/63/361543263.db2.gz FCGMICNANPRYGV-SNVBAGLBSA-N 2 0 226.320 1.643 20 0 BDADRP Cn1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000629649224 361543663 /nfs/dbraw/zinc/54/36/63/361543663.db2.gz MMJAMDWEJKLXQR-GJZGRUSLSA-N 2 0 247.386 1.989 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]Cc2ccn(C)c2)CC[NH2+]1 ZINC000629649318 361544941 /nfs/dbraw/zinc/54/49/41/361544941.db2.gz PPCFLIIINHMAAN-JQWIXIFHSA-N 2 0 207.321 1.255 20 0 BDADRP Cn1ccc(C[NH2+]CCC2(C[NH3+])CC2)c1 ZINC000629650670 361548680 /nfs/dbraw/zinc/54/86/80/361548680.db2.gz YUWQGBQAQZBLFA-UHFFFAOYSA-N 2 0 207.321 1.244 20 0 BDADRP COC1(C[N@@H+]2CCNC[C@@](C)(F)C2)CCCC1 ZINC000629652482 361551928 /nfs/dbraw/zinc/55/19/28/361551928.db2.gz BYBJCZLXSBPPCU-GFCCVEGCSA-N 2 0 244.354 1.579 20 0 BDADRP CCOCCN1CCC([NH2+]C(C)C)CC1 ZINC000152249142 201192391 /nfs/dbraw/zinc/19/23/91/201192391.db2.gz PXACQLVRZOPPTJ-UHFFFAOYSA-N 2 0 214.353 1.485 20 0 BDADRP Cn1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000629653839 361554368 /nfs/dbraw/zinc/55/43/68/361554368.db2.gz KTZDUZWSCAQWAZ-CHWSQXEVSA-N 2 0 221.348 1.632 20 0 BDADRP C1=C(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)COCC1 ZINC000629653859 361554822 /nfs/dbraw/zinc/55/48/22/361554822.db2.gz LFLRWUVDLVMPHS-CYBMUJFWSA-N 2 0 222.332 1.019 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC2=CCCOC2)C1 ZINC000629651821 361557168 /nfs/dbraw/zinc/55/71/68/361557168.db2.gz KSTXVHOUUANYMK-WCQYABFASA-N 2 0 224.348 1.392 20 0 BDADRP Cc1cccc(C[N@H+](C)CCOCC[NH3+])c1C ZINC000629661943 361594532 /nfs/dbraw/zinc/59/45/32/361594532.db2.gz DUHXHBNHGBVXPZ-UHFFFAOYSA-N 2 0 236.359 1.711 20 0 BDADRP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CC[C@@H]1CCOC1)C2 ZINC000629661593 361594725 /nfs/dbraw/zinc/59/47/25/361594725.db2.gz BMXQGJDEHFWWKR-MCIONIFRSA-N 2 0 238.375 1.344 20 0 BDADRP C[C@H]1CCC[C@@H](C[NH2+]CCOCCC[NH3+])C1 ZINC000629677695 361600666 /nfs/dbraw/zinc/60/06/66/361600666.db2.gz DKPGQMVDHHMEOG-QWHCGFSZSA-N 2 0 228.380 1.768 20 0 BDADRP [NH3+][C@H](CO)c1cccc(C2=CC[NH2+]CC2)c1 ZINC000629723869 361665846 /nfs/dbraw/zinc/66/58/46/361665846.db2.gz SQEIDEYEBWKDED-CYBMUJFWSA-N 2 0 218.300 1.055 20 0 BDADRP C[C@@H]([NH3+])Cc1ccc(C2=CC[NH2+]CC2)cc1 ZINC000629722493 361662329 /nfs/dbraw/zinc/66/23/29/361662329.db2.gz BBTBDHVESZHKCM-LLVKDONJSA-N 2 0 216.328 1.953 20 0 BDADRP C[NH2+]CCCN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000435883576 201296051 /nfs/dbraw/zinc/29/60/51/201296051.db2.gz ZVFKFWGMHUNFHL-CQSZACIVSA-N 2 0 239.407 1.260 20 0 BDADRP CC[C@H](C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000155051896 201300375 /nfs/dbraw/zinc/30/03/75/201300375.db2.gz GARWQYZCTBVJCK-RYUDHWBXSA-N 2 0 213.369 1.010 20 0 BDADRP CC[C@@](C)(O)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000083462514 491161824 /nfs/dbraw/zinc/16/18/24/491161824.db2.gz QNQZUHQTFNSSKM-WCQYABFASA-N 2 0 228.380 1.467 20 0 BDADRP CCC[C@@H](O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000450281617 201348402 /nfs/dbraw/zinc/34/84/02/201348402.db2.gz CWAFDJGPNHYHBX-CQSZACIVSA-N 2 0 242.407 1.811 20 0 BDADRP CN(C)c1ccc(C[NH2+]C2CCC([NH3+])CC2)cn1 ZINC000437779270 201371471 /nfs/dbraw/zinc/37/14/71/201371471.db2.gz UMLDYBSNGQOAJE-UHFFFAOYSA-N 2 0 248.374 1.507 20 0 BDADRP C[C@@H]1C[C@H]([N@H+](C)CC[C@@H]2CCOC2)CCN1C ZINC000438105834 201391088 /nfs/dbraw/zinc/39/10/88/201391088.db2.gz PEFHJSHXFNIHSO-MGPQQGTHSA-N 2 0 240.391 1.828 20 0 BDADRP c1c(C[NH2+]C2CCCC2)nnn1C[C@@H]1CCC[NH2+]1 ZINC000630606517 364329490 /nfs/dbraw/zinc/32/94/90/364329490.db2.gz ZSKCLQMPDDKHCZ-LBPRGKRZSA-N 2 0 249.362 1.062 20 0 BDADRP C[C@@H]1OCC[C@H]1[NH2+]CCCC[NH+](C)C ZINC000134027514 364383763 /nfs/dbraw/zinc/38/37/63/364383763.db2.gz CDCMRYPNLWFVII-WDEREUQCSA-N 2 0 200.326 1.095 20 0 BDADRP C(C[NH2+]C1CSC1)C[NH+]1CCCC1 ZINC000308329726 541365946 /nfs/dbraw/zinc/36/59/46/541365946.db2.gz JVDBXOXYIWZAOF-UHFFFAOYSA-N 2 0 200.351 1.177 20 0 BDADRP C[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000573338666 364803166 /nfs/dbraw/zinc/80/31/66/364803166.db2.gz VDMVNQCAMIWVRZ-LPWJVIDDSA-N 2 0 226.364 1.519 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+][C@H]2CC[C@H](CO)CC2)C1 ZINC000573624026 364878223 /nfs/dbraw/zinc/87/82/23/364878223.db2.gz HUNOTZJMADKSIZ-CYDGBPFRSA-N 2 0 226.364 1.397 20 0 BDADRP [NH3+]CCCCCCC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000237967813 181373933 /nfs/dbraw/zinc/37/39/33/181373933.db2.gz HHEZXYLUOYJEAM-GFCCVEGCSA-N 2 0 241.379 1.235 20 0 BDADRP Cc1cnc(CC[NH2+][C@H]2CCCCC[C@@H]2[NH3+])nc1 ZINC000574031726 364970429 /nfs/dbraw/zinc/97/04/29/364970429.db2.gz RJPMXKQRUAPCER-STQMWFEESA-N 2 0 248.374 1.577 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC2(CO)CCCC2)C1 ZINC000168590358 364965287 /nfs/dbraw/zinc/96/52/87/364965287.db2.gz ZCCDMXXTSCRRKS-NEPJUHHUSA-N 2 0 226.364 1.399 20 0 BDADRP CC(C)(C)[NH2+]CCN1CCC(CC[NH3+])CC1 ZINC000574090976 364986335 /nfs/dbraw/zinc/98/63/35/364986335.db2.gz AGDZYZCSIHCEGM-UHFFFAOYSA-N 2 0 227.396 1.435 20 0 BDADRP [NH3+]CCC[N@H+](CC1CCCC1)C[C@@H]1CCOC1 ZINC000352494863 181379489 /nfs/dbraw/zinc/37/94/89/181379489.db2.gz GINFMPPKQVZSPZ-AWEZNQCLSA-N 2 0 240.391 1.864 20 0 BDADRP C[C@@H]([NH2+]CC1(O)CCCC1)C1=CC[N@H+](C)CC1 ZINC000574073448 364982860 /nfs/dbraw/zinc/98/28/60/364982860.db2.gz DLAFBZXHFDJPOZ-GFCCVEGCSA-N 2 0 238.375 1.532 20 0 BDADRP [NH3+]C1(C[NH2+]CCCc2ccncc2)CCC1 ZINC000574159338 364998406 /nfs/dbraw/zinc/99/84/06/364998406.db2.gz HXGQLEPKKXYEJJ-UHFFFAOYSA-N 2 0 219.332 1.485 20 0 BDADRP CC[C@H]([NH3+])CNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000574384430 365048521 /nfs/dbraw/zinc/04/85/21/365048521.db2.gz GNNUQXLRIJLSCI-QWHCGFSZSA-N 2 0 249.358 1.320 20 0 BDADRP [NH3+]CCC[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000062618697 181383204 /nfs/dbraw/zinc/38/32/04/181383204.db2.gz UKGSMYIJNMBANN-LBPRGKRZSA-N 2 0 238.306 1.978 20 0 BDADRP C[C@@H]([NH2+]Cc1cnc(N)s1)[C@@H]1CCC[NH2+]C1 ZINC000574276948 365026001 /nfs/dbraw/zinc/02/60/01/365026001.db2.gz KKVIKLPKVKMFSJ-RKDXNWHRSA-N 2 0 240.376 1.033 20 0 BDADRP C[C@H]([NH3+])CN[C@@H]1CCO[C@H]1c1ccccc1 ZINC000574519509 365080505 /nfs/dbraw/zinc/08/05/05/365080505.db2.gz OOQPSNWOSGZKHU-UHTWSYAYSA-N 2 0 220.316 1.453 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000574563100 365087881 /nfs/dbraw/zinc/08/78/81/365087881.db2.gz QEHLIVZRRSZRBC-MBNYWOFBSA-N 3 0 239.407 1.304 20 0 BDADRP CC[C@@H](C(=O)N(C)CC[NH+](C)C)[NH+](CC)CC ZINC000443222604 193015747 /nfs/dbraw/zinc/01/57/47/193015747.db2.gz LHIZQCOOMFJYBL-LBPRGKRZSA-N 2 0 243.395 1.127 20 0 BDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CC[NH2+]1 ZINC000444269723 193043906 /nfs/dbraw/zinc/04/39/06/193043906.db2.gz NEHJEWVILPJIPL-GFCCVEGCSA-N 2 0 247.342 1.357 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCCOCC2)C1 ZINC000379788305 365272209 /nfs/dbraw/zinc/27/22/09/365272209.db2.gz INMXTXIKBVXPLP-GRYCIOLGSA-N 2 0 212.337 1.415 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCCOCC2)C1 ZINC000379788327 365272320 /nfs/dbraw/zinc/27/23/20/365272320.db2.gz INMXTXIKBVXPLP-WOPDTQHZSA-N 2 0 212.337 1.415 20 0 BDADRP FCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000379810894 365278140 /nfs/dbraw/zinc/27/81/40/365278140.db2.gz AEXNQBKGJOZKJT-QJPTWQEYSA-N 2 0 214.328 1.856 20 0 BDADRP CCn1cccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1=O ZINC000575762116 365358138 /nfs/dbraw/zinc/35/81/38/365358138.db2.gz IMHOWEKQNXVIEU-STQMWFEESA-N 2 0 249.358 1.228 20 0 BDADRP O=C(C[NH2+]CC1CC1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000575921658 365415000 /nfs/dbraw/zinc/41/50/00/365415000.db2.gz HEJRWBVLVYSHNA-UHFFFAOYSA-N 2 0 245.326 1.228 20 0 BDADRP CC[C@@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000339193512 365452262 /nfs/dbraw/zinc/45/22/62/365452262.db2.gz GRTCIWNKHORDRN-ZGVCCVRISA-N 2 0 226.364 1.314 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ncc[nH]1 ZINC000353603573 541483675 /nfs/dbraw/zinc/48/36/75/541483675.db2.gz GOOBQSPAMKRCKW-NSHDSACASA-N 2 0 248.374 1.935 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000580963518 367220594 /nfs/dbraw/zinc/22/05/94/367220594.db2.gz SHLDGJQHHFFLNE-GRYCIOLGSA-N 3 0 213.369 1.363 20 0 BDADRP C[C@@H]1OCC[N@H+](CC[C@H]2CC[NH2+]C2)[C@H]1C ZINC000380582972 367246582 /nfs/dbraw/zinc/24/65/82/367246582.db2.gz YFPRKHLIUSXLMD-SDDRHHMPSA-N 2 0 212.337 1.095 20 0 BDADRP C[C@@H]1OCC[N@H+](CC[C@@H]2CC[NH2+]C2)[C@H]1C ZINC000380582973 367246960 /nfs/dbraw/zinc/24/69/60/367246960.db2.gz YFPRKHLIUSXLMD-SRVKXCTJSA-N 2 0 212.337 1.095 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000581185261 367286482 /nfs/dbraw/zinc/28/64/82/367286482.db2.gz NMOUJQFOKYAYEP-KGLIPLIRSA-N 3 0 237.391 1.546 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000382166833 367493537 /nfs/dbraw/zinc/49/35/37/367493537.db2.gz VCSNGDKCUSDPKM-DOERSZECSA-N 2 0 222.376 1.962 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCCO[C@H]2CCOC2)C1 ZINC000581499792 367528012 /nfs/dbraw/zinc/52/80/12/367528012.db2.gz SGWDEAUVURLXSN-AGIUHOORSA-N 2 0 242.363 1.042 20 0 BDADRP COCC(C)(C)C[NH2+]CCC[NH2+]C1CC1 ZINC000382525908 367532165 /nfs/dbraw/zinc/53/21/65/367532165.db2.gz GJVUKZWPESWEFD-UHFFFAOYSA-N 2 0 214.353 1.391 20 0 BDADRP C[C@H]1C[C@@H](NCCC[NH2+]C2CC2)CC[N@@H+]1C ZINC000382578447 367543670 /nfs/dbraw/zinc/54/36/70/367543670.db2.gz IMPIUHCNOMYUFQ-AAEUAGOBSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](C[C@@H]2CCCC[C@H]2O)CC1 ZINC000383080963 367594894 /nfs/dbraw/zinc/59/48/94/367594894.db2.gz UABDRLILNOZJCO-FPMFFAJLSA-N 2 0 240.391 1.597 20 0 BDADRP CC(C)OCCC[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000383518726 367631809 /nfs/dbraw/zinc/63/18/09/367631809.db2.gz IIEREASEJREYSM-RYUDHWBXSA-N 2 0 214.353 1.613 20 0 BDADRP C[C@H](c1ccncc1)[N@H+](C)CCOCC[NH3+] ZINC000383881611 367657295 /nfs/dbraw/zinc/65/72/95/367657295.db2.gz WIYPVMUQKHPUOK-LLVKDONJSA-N 2 0 223.320 1.050 20 0 BDADRP C[C@H](O)C[NH2+]Cc1ccc(CC[NH+](C)C)cc1 ZINC000581662600 367662188 /nfs/dbraw/zinc/66/21/88/367662188.db2.gz OYERPKXGVDHRJQ-LBPRGKRZSA-N 2 0 236.359 1.261 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CCCSC1 ZINC000384131483 367672920 /nfs/dbraw/zinc/67/29/20/367672920.db2.gz LIRLUJLYJUQWCN-NWDGAFQWSA-N 2 0 246.420 1.473 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000384861435 367745843 /nfs/dbraw/zinc/74/58/43/367745843.db2.gz DMGQNJMQGYZUIE-NOOOWODRSA-N 2 0 214.353 1.482 20 0 BDADRP Cc1cnccc1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000385041708 367777638 /nfs/dbraw/zinc/77/76/38/367777638.db2.gz OCJVQOWEBUDJMT-TZMCWYRMSA-N 2 0 233.359 1.949 20 0 BDADRP Cc1cnccc1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000385050521 367778847 /nfs/dbraw/zinc/77/88/47/367778847.db2.gz QPWQHCKLPGHKCH-ZDUSSCGKSA-N 2 0 219.332 1.561 20 0 BDADRP C[C@H](O)[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000581721327 367783689 /nfs/dbraw/zinc/78/36/89/367783689.db2.gz PSZZNRQYTDLXAW-SDDRHHMPSA-N 2 0 230.396 1.712 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)[C@H](C)O)C(C)(C)C[NH+](C)C ZINC000581879748 367863355 /nfs/dbraw/zinc/86/33/55/367863355.db2.gz XRIDDOYYIPFEFI-GARJFASQSA-N 2 0 216.369 1.322 20 0 BDADRP CC(C)(C)[NH2+]CCN1CCC[C@@H](C[NH3+])C1 ZINC000566225745 326018558 /nfs/dbraw/zinc/01/85/58/326018558.db2.gz JOKBYWMCNZLTLM-NSHDSACASA-N 2 0 213.369 1.045 20 0 BDADRP C[C@@H]([NH2+]CC1(CO)CCCC1)[C@H]1CCCC[NH2+]1 ZINC000386020739 367898544 /nfs/dbraw/zinc/89/85/44/367898544.db2.gz OOYPNPBALUSPCC-CHWSQXEVSA-N 2 0 240.391 1.659 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1O)[C@H]1CCCC[NH2+]1 ZINC000386028600 367900418 /nfs/dbraw/zinc/90/04/18/367900418.db2.gz QFXLAEPQVDCHGK-IGQOVBAYSA-N 2 0 240.391 1.658 20 0 BDADRP C[C@H](N[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCCC[NH2+]1 ZINC000386036830 367902252 /nfs/dbraw/zinc/90/22/52/367902252.db2.gz RVJYPWFCLFLZBD-SGMGOOAPSA-N 2 0 237.391 1.343 20 0 BDADRP COCC(C)(C)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386547551 367990650 /nfs/dbraw/zinc/99/06/50/367990650.db2.gz GDFMNZYNIAMNQU-NWDGAFQWSA-N 2 0 228.380 1.779 20 0 BDADRP COC[C@H](C)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386544411 367991167 /nfs/dbraw/zinc/99/11/67/367991167.db2.gz FFKBMRBVGSSJLW-UTUOFQBUSA-N 2 0 214.353 1.389 20 0 BDADRP C[C@@H]([NH2+]CCCC[NH+](C)C)[C@@H]1CCCC[NH2+]1 ZINC000386576024 367994765 /nfs/dbraw/zinc/99/47/65/367994765.db2.gz NFGZCINXFITQNT-OLZOCXBDSA-N 3 0 227.396 1.448 20 0 BDADRP C[C@H]([NH2+]CC1CCOCC1)[C@@H]1CCCC[NH2+]1 ZINC000386372883 367957912 /nfs/dbraw/zinc/95/79/12/367957912.db2.gz BOUWEMJSCVRNHN-AAEUAGOBSA-N 2 0 226.364 1.533 20 0 BDADRP CCOCCC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386605585 368000470 /nfs/dbraw/zinc/00/04/70/368000470.db2.gz VQQUVYNTTRCVEQ-NWDGAFQWSA-N 2 0 214.353 1.533 20 0 BDADRP C[C@@H]([NH2+]CC(C)(C)CCO)[C@@H]1CCCC[NH2+]1 ZINC000386625890 368002982 /nfs/dbraw/zinc/00/29/82/368002982.db2.gz YXDGBGXYBZJZNH-NEPJUHHUSA-N 2 0 228.380 1.515 20 0 BDADRP CC(C)[N@H+](C)CCN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386620912 368003511 /nfs/dbraw/zinc/00/35/11/368003511.db2.gz YEGPHOPVBTWZRV-CHWSQXEVSA-N 2 0 227.396 1.447 20 0 BDADRP Cc1noc([C@@H](C)N(C)CCn2ccnc2)n1 ZINC000581951985 368017637 /nfs/dbraw/zinc/01/76/37/368017637.db2.gz VDZCDIXTUIHXOY-SECBINFHSA-N 2 0 235.291 1.268 20 0 BDADRP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)[C@@H](C)O ZINC000386879375 368030816 /nfs/dbraw/zinc/03/08/16/368030816.db2.gz LWWIKRALAYXZBE-IGJVIKARSA-N 2 0 234.343 1.880 20 0 BDADRP C[C@@H]1CCC[N@H+](CCN[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000566689807 326075289 /nfs/dbraw/zinc/07/52/89/326075289.db2.gz VKEDBPZXVWWSSW-MGPQQGTHSA-N 3 0 239.407 1.578 20 0 BDADRP C[C@H]1C[N@H+](CCC[NH2+]CC2(C)CC2)CCCO1 ZINC000566654569 326071281 /nfs/dbraw/zinc/07/12/81/326071281.db2.gz BRBFYILXOSKOAY-ZDUSSCGKSA-N 2 0 240.391 1.877 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCOCC2)C1 ZINC000086874078 368886179 /nfs/dbraw/zinc/88/61/79/368886179.db2.gz LTIRHYOKNSVPJE-UONOGXRCSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1OCC[C@H]1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000631826872 368990291 /nfs/dbraw/zinc/99/02/91/368990291.db2.gz YUKJKAZQJVDPAS-STQMWFEESA-N 2 0 238.375 1.487 20 0 BDADRP CC[NH2+]CCC[NH2+][C@H](C)[C@H]1CCCO1 ZINC000567638859 326236091 /nfs/dbraw/zinc/23/60/91/326236091.db2.gz NXVHFWZSWZKWCC-GHMZBOCLSA-N 2 0 200.326 1.143 20 0 BDADRP C[NH+](C)C[C@H]1CCCCN1C(=O)CCCC[NH3+] ZINC000404905827 369439155 /nfs/dbraw/zinc/43/91/55/369439155.db2.gz YRCHZKSCRWEXNT-GFCCVEGCSA-N 2 0 241.379 1.058 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cncs2)C1 ZINC000459738589 203348257 /nfs/dbraw/zinc/34/82/57/203348257.db2.gz RYNJINHWUGEBSA-LLVKDONJSA-N 2 0 239.388 1.965 20 0 BDADRP CCOC[C@@H](C)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459744937 203351078 /nfs/dbraw/zinc/35/10/78/203351078.db2.gz YHIOPOJZWAZBRZ-CHWSQXEVSA-N 2 0 228.380 1.733 20 0 BDADRP C[C@@H]([NH2+]CCCC[NH+]1CCOCC1)C1CC1 ZINC000165259630 203382174 /nfs/dbraw/zinc/38/21/74/203382174.db2.gz GUHQSJCQEWCSHT-GFCCVEGCSA-N 2 0 226.364 1.487 20 0 BDADRP CN(C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C1CC1 ZINC000459794073 203370215 /nfs/dbraw/zinc/37/02/15/203370215.db2.gz WKUMNESDURCBIS-RUZUBIRVSA-N 2 0 238.375 1.220 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)[C@H]1CCOC1 ZINC000459794889 203371440 /nfs/dbraw/zinc/37/14/40/203371440.db2.gz UVRQVLFAZZZKNE-MJBXVCDLSA-N 2 0 240.391 1.733 20 0 BDADRP [NH3+]C[C@@H]1C[N@H+](CCCF)CC12CCOCC2 ZINC000567894800 326278288 /nfs/dbraw/zinc/27/82/88/326278288.db2.gz VIPJEPXWIYZBQE-LLVKDONJSA-N 2 0 230.327 1.033 20 0 BDADRP Cc1cc(C)c(CN2C[C@H]([NH3+])C[C@@H]2C)c(C)n1 ZINC000631863406 369614371 /nfs/dbraw/zinc/61/43/71/369614371.db2.gz ZWIMIJUPLUBSOJ-WCQYABFASA-N 2 0 233.359 1.928 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000252678987 370111209 /nfs/dbraw/zinc/11/12/09/370111209.db2.gz WDZOKLLONBHSJY-XDQVBPFNSA-N 2 0 240.391 1.645 20 0 BDADRP C[NH2+]C1(CNc2cc(C)nc(C)n2)CCC1 ZINC000621323529 370252563 /nfs/dbraw/zinc/25/25/63/370252563.db2.gz FKOVZEOBLHCBTL-UHFFFAOYSA-N 2 0 220.320 1.069 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)C[C@H]1CO ZINC000621372528 370311332 /nfs/dbraw/zinc/31/13/32/370311332.db2.gz XBEQLIWEWXGXTF-RDBSUJKOSA-N 2 0 240.391 1.421 20 0 BDADRP CC(C)c1nccn1C[C@H](O)C[N@@H+](C)C(C)C ZINC000310412018 370342654 /nfs/dbraw/zinc/34/26/54/370342654.db2.gz PAUAIVBAEBURPA-GFCCVEGCSA-N 2 0 239.363 1.708 20 0 BDADRP CCN(C)C[C@H](O)C[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000310489658 370347832 /nfs/dbraw/zinc/34/78/32/370347832.db2.gz FQMGMIOEBRCIJB-MELADBBJSA-N 2 0 242.407 1.810 20 0 BDADRP CCN(C)C[C@H](O)C[N@H+](C)[C@@H]1CCCC[C@H]1C ZINC000310489655 370348186 /nfs/dbraw/zinc/34/81/86/370348186.db2.gz FQMGMIOEBRCIJB-HZSPNIEDSA-N 2 0 242.407 1.810 20 0 BDADRP C[C@H]([NH3+])CCNC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000621702826 370449680 /nfs/dbraw/zinc/44/96/80/370449680.db2.gz HHLYJFXRGUOMRN-UWVGGRQHSA-N 2 0 235.331 1.173 20 0 BDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C[NH+](C)C(C)C ZINC000066124541 370552535 /nfs/dbraw/zinc/55/25/35/370552535.db2.gz HUVWVVKSJMJMPW-GFCCVEGCSA-N 2 0 243.395 1.173 20 0 BDADRP C[C@H](c1ccccn1)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621781788 370530501 /nfs/dbraw/zinc/53/05/01/370530501.db2.gz IQSOEPAUSDEWDX-BZPMIXESSA-N 2 0 231.343 1.956 20 0 BDADRP COCCCCC[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621783168 370532460 /nfs/dbraw/zinc/53/24/60/370532460.db2.gz YBOIERITGPXYNS-CHWSQXEVSA-N 2 0 226.364 1.616 20 0 BDADRP [NH3+][C@]12CCC[C@@H]1C[N@H+](CCCCCF)C2 ZINC000621784034 370534082 /nfs/dbraw/zinc/53/40/82/370534082.db2.gz IQQOOCCWWKJPGW-NEPJUHHUSA-N 2 0 214.328 1.939 20 0 BDADRP CC[C@@H]1CCC[C@@H]([NH2+]CCN2CC[C@H](O)C2)C1 ZINC000623836817 371119168 /nfs/dbraw/zinc/11/91/68/371119168.db2.gz KTDUXTCPADZVIA-MCIONIFRSA-N 2 0 240.391 1.611 20 0 BDADRP CC[C@](C)(CO)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623946924 371172743 /nfs/dbraw/zinc/17/27/43/371172743.db2.gz MOOHPHVFNBSZJS-WCQYABFASA-N 2 0 228.380 1.610 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000631055864 371174517 /nfs/dbraw/zinc/17/45/17/371174517.db2.gz AKIPAKXAZPYZNQ-CYBMUJFWSA-N 2 0 249.358 1.609 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000331394013 181572810 /nfs/dbraw/zinc/57/28/10/181572810.db2.gz BLYZUHUSNWTYES-UMSGYPCISA-N 2 0 226.364 1.397 20 0 BDADRP C[C@@H](CCCCO)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624122162 371322688 /nfs/dbraw/zinc/32/26/88/371322688.db2.gz LIXDBDKMRTXLPI-KBPBESRZSA-N 2 0 242.407 1.859 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H](O)C2)[C@@H](C)C1 ZINC000624218831 371407153 /nfs/dbraw/zinc/40/71/53/371407153.db2.gz CKMKAZWPJCMZFG-RVMXOQNASA-N 2 0 226.364 1.077 20 0 BDADRP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000624339146 371486659 /nfs/dbraw/zinc/48/66/59/371486659.db2.gz MQTVSQFXIPKQEV-YNEHKIRRSA-N 2 0 240.391 1.467 20 0 BDADRP CN1CCC[C@H]1C[NH2+]C1CC(CF)(CF)C1 ZINC000624271731 371453318 /nfs/dbraw/zinc/45/33/18/371453318.db2.gz BHLKSYQIUGIWRL-NSHDSACASA-N 2 0 232.318 1.758 20 0 BDADRP CO[C@H]1C[C@H]([NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)C1 ZINC000624298534 371463608 /nfs/dbraw/zinc/46/36/08/371463608.db2.gz ULBZPQDSTVODQN-XRRVDJEJSA-N 2 0 224.348 1.236 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000624309732 371472019 /nfs/dbraw/zinc/47/20/19/371472019.db2.gz WBQHUEFPGDIOBM-LPWJVIDDSA-N 2 0 226.364 1.484 20 0 BDADRP Cc1cccn2c(C[NH2+][C@H]3CCC[C@@H]3O)cnc12 ZINC000631251872 372262556 /nfs/dbraw/zinc/26/25/56/372262556.db2.gz JZVQVXPAKYDRHQ-STQMWFEESA-N 2 0 245.326 1.646 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000631823866 372601946 /nfs/dbraw/zinc/60/19/46/372601946.db2.gz PMOQNGJMNMKDAO-XQQFMLRXSA-N 2 0 224.348 1.097 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H]1CCO[C@H]1C ZINC000631822218 372598286 /nfs/dbraw/zinc/59/82/86/372598286.db2.gz WVOQBYIPPWCDDK-SRVKXCTJSA-N 2 0 212.337 1.095 20 0 BDADRP [NH3+]CCC[NH+]1CCC2(CCSCC2)CC1 ZINC000631836718 372625271 /nfs/dbraw/zinc/62/52/71/372625271.db2.gz FSSAMQYRIOPKMK-UHFFFAOYSA-N 2 0 228.405 1.944 20 0 BDADRP CCC1([NH+]2CCCC2)CCN(C[C@H](C)[NH3+])CC1 ZINC000631837357 372627435 /nfs/dbraw/zinc/62/74/35/372627435.db2.gz RLPCXODSTLUIEY-ZDUSSCGKSA-N 2 0 239.407 1.674 20 0 BDADRP C[C@@H](c1ccncc1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631840026 372636893 /nfs/dbraw/zinc/63/68/93/372636893.db2.gz OJXSJWZVYJMDGC-NTZNESFSSA-N 2 0 219.332 1.669 20 0 BDADRP Cc1nccnc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000631825294 372604168 /nfs/dbraw/zinc/60/41/68/372604168.db2.gz DXZDDGYUMBIBEZ-LBPRGKRZSA-N 2 0 234.347 1.346 20 0 BDADRP CC(C)(C)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000040493338 373330881 /nfs/dbraw/zinc/33/08/81/373330881.db2.gz OWHJWBSAKLLLJU-NSHDSACASA-N 2 0 214.353 1.079 20 0 BDADRP CCOC(=O)CC[N@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000420306459 206024423 /nfs/dbraw/zinc/02/44/23/206024423.db2.gz HNJPAEPLQDALHW-GFCCVEGCSA-N 2 0 242.363 1.404 20 0 BDADRP COC[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(C)C ZINC000424381427 206040032 /nfs/dbraw/zinc/04/00/32/206040032.db2.gz YZAQXWFOVBGBCH-UTUOFQBUSA-N 2 0 214.353 1.517 20 0 BDADRP COCC[C@@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430910161 206062691 /nfs/dbraw/zinc/06/26/91/206062691.db2.gz DSWAJGDFCFTEQB-GFCCVEGCSA-N 2 0 226.364 1.487 20 0 BDADRP CCOc1ccc(C[NH2+][C@@H](C)CC[NH3+])cc1 ZINC000220536520 134309649 /nfs/dbraw/zinc/30/96/49/134309649.db2.gz OABWEVMFQPVZMG-NSHDSACASA-N 2 0 222.332 1.912 20 0 BDADRP OC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CCC1 ZINC000127376158 183020458 /nfs/dbraw/zinc/02/04/58/183020458.db2.gz BCBZDFQFMSRBHI-RWMBFGLXSA-N 2 0 238.375 1.412 20 0 BDADRP OCC[N@H+](CCC[NH+]1CCCCC1)CC1CC1 ZINC000352490279 183066331 /nfs/dbraw/zinc/06/63/31/183066331.db2.gz HVSZTXIIVLUJLK-UHFFFAOYSA-N 2 0 240.391 1.567 20 0 BDADRP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1CC[NH3+] ZINC000357358902 169067267 /nfs/dbraw/zinc/06/72/67/169067267.db2.gz XWFYZNMHZQCHGC-LBPRGKRZSA-N 2 0 241.379 1.058 20 0 BDADRP O[C@H](C[NH2+]C1CCCCC1)C[NH+]1CCCC1 ZINC000037859672 183223069 /nfs/dbraw/zinc/22/30/69/183223069.db2.gz CECRAZNALWXPHD-CYBMUJFWSA-N 2 0 226.364 1.365 20 0 BDADRP CCC[N@H+](CC)CCNC(=O)[C@@H]([NH3+])[C@H](C)CC ZINC000228509869 169121143 /nfs/dbraw/zinc/12/11/43/169121143.db2.gz CMYCJHVSJLNNTL-NEPJUHHUSA-N 2 0 243.395 1.208 20 0 BDADRP CCC[NH+]1CCC([N@H+](C)CC2(C)COC2)CC1 ZINC000336715986 169186487 /nfs/dbraw/zinc/18/64/87/169186487.db2.gz VKUNKXCPFWDNJL-UHFFFAOYSA-N 2 0 240.391 1.829 20 0 BDADRP CCC[NH+]1CCC(NC2CC[NH+](C)CC2)CC1 ZINC000020189555 169188003 /nfs/dbraw/zinc/18/80/03/169188003.db2.gz OQQYFUICNJYJOI-UHFFFAOYSA-N 2 0 239.407 1.545 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@@H](CC)OC)CC1 ZINC000309397867 169188438 /nfs/dbraw/zinc/18/84/38/169188438.db2.gz UUDZKCDLDVJPOY-CYBMUJFWSA-N 2 0 228.380 1.875 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H]2C[C@H](O)C2(C)C)CC1 ZINC000129223531 169190175 /nfs/dbraw/zinc/19/01/75/169190175.db2.gz UUMWCLIHJGMBGR-STQMWFEESA-N 2 0 240.391 1.610 20 0 BDADRP CCC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000374429012 169204854 /nfs/dbraw/zinc/20/48/54/169204854.db2.gz NNFCPVMWZSBNDK-YNEHKIRRSA-N 2 0 226.364 1.580 20 0 BDADRP c1[nH]nc2c1cccc2C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359453317 183348634 /nfs/dbraw/zinc/34/86/34/183348634.db2.gz DFKALTMACCKGEA-BETUJISGSA-N 2 0 242.326 1.214 20 0 BDADRP CCC[C@@H](C)[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000308989011 169370822 /nfs/dbraw/zinc/37/08/22/169370822.db2.gz VJWUMXPAILWUPA-NEPJUHHUSA-N 2 0 214.353 1.533 20 0 BDADRP CCC[C@@H](C[NH2+][C@@H](C)CCC[NH3+])OC ZINC000356338708 169385571 /nfs/dbraw/zinc/38/55/71/169385571.db2.gz JLLVBTLHBIRYHZ-QWRGUYRKSA-N 2 0 202.342 1.519 20 0 BDADRP Cc1nccn1CC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000223006710 134336254 /nfs/dbraw/zinc/33/62/54/134336254.db2.gz RBNTUYMZLJMOLR-AAEUAGOBSA-N 2 0 236.363 1.264 20 0 BDADRP CC(C)[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000183868720 134356871 /nfs/dbraw/zinc/35/68/71/134356871.db2.gz KDKAEMHYMARTSQ-PSEXLTFBSA-N 2 0 226.364 1.218 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226867967 134370142 /nfs/dbraw/zinc/37/01/42/134370142.db2.gz WAFJYAZLLNGTOU-SRVKXCTJSA-N 2 0 241.379 1.103 20 0 BDADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000227498810 134381168 /nfs/dbraw/zinc/38/11/68/134381168.db2.gz ATPNUPKSMCLMFD-QWHCGFSZSA-N 2 0 240.391 1.733 20 0 BDADRP CO[C@@H](C)[C@@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000227497181 134381213 /nfs/dbraw/zinc/38/12/13/134381213.db2.gz PNOIJVHEIIPATD-NEPJUHHUSA-N 2 0 228.380 1.731 20 0 BDADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCOC1 ZINC000070074075 383860164 /nfs/dbraw/zinc/86/01/64/383860164.db2.gz JPXKDXXEUODRLV-RYUDHWBXSA-N 2 0 212.337 1.226 20 0 BDADRP CO[C@@H](C[NH2+]CC1=CC[N@H+](C)CC1)C1CC1 ZINC000400229017 383925453 /nfs/dbraw/zinc/92/54/53/383925453.db2.gz QULBIOYJTOIEIY-ZDUSSCGKSA-N 2 0 224.348 1.263 20 0 BDADRP COC[C@@H](C)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000309661155 383889607 /nfs/dbraw/zinc/88/96/07/383889607.db2.gz RGWNAYZPRYMGMD-HIFPTAJRSA-N 2 0 228.380 1.731 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CC[C@H](C)CC1 ZINC000300024419 533022311 /nfs/dbraw/zinc/02/23/11/533022311.db2.gz MKPHGQDSZIJBKB-AVGNSLFASA-N 2 0 228.380 1.909 20 0 BDADRP Cc1ccncc1CCC[NH2+]CCCO ZINC000289312702 383982332 /nfs/dbraw/zinc/98/23/32/383982332.db2.gz SFIVGSWOBYYBEM-UHFFFAOYSA-N 2 0 208.305 1.295 20 0 BDADRP Cc1n[nH]cc1[C@H](C)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000643541902 383941500 /nfs/dbraw/zinc/94/15/00/383941500.db2.gz PCDNVGVRGBBJGV-JQWIXIFHSA-N 2 0 236.363 1.901 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCCC[N@H+](C)C2CC2)CO1 ZINC000647216429 384019936 /nfs/dbraw/zinc/01/99/36/384019936.db2.gz JTJULTKEMUHUFX-RYUDHWBXSA-N 2 0 226.364 1.628 20 0 BDADRP Cc1cccc(N2CC[C@]3(CC[N@@H+](C)C3)C2)n1 ZINC000335849182 384007626 /nfs/dbraw/zinc/00/76/26/384007626.db2.gz GHXKEXOAUCIHDK-AWEZNQCLSA-N 2 0 231.343 1.922 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+]CCC[NH2+]C2CC2)C1 ZINC000643545080 384009901 /nfs/dbraw/zinc/00/99/01/384009901.db2.gz LUIYXKVVOJRZCN-OLZOCXBDSA-N 2 0 226.364 1.676 20 0 BDADRP COC[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)C1CC1 ZINC000643545995 384014430 /nfs/dbraw/zinc/01/44/30/384014430.db2.gz GTZXCRNAFWPMGY-STQMWFEESA-N 2 0 238.375 1.676 20 0 BDADRP CCC[NH2+]CCNC(=O)[C@@H](CC(C)(C)C)[NH2+]C ZINC000449370144 384032591 /nfs/dbraw/zinc/03/25/91/384032591.db2.gz IROJASJTLHFDHU-LLVKDONJSA-N 2 0 243.395 1.126 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643547865 384037821 /nfs/dbraw/zinc/03/78/21/384037821.db2.gz KAFLCAJCTSWQAQ-JHJVBQTASA-N 2 0 237.391 1.249 20 0 BDADRP CC[C@H](C[N@@H+]1CCC[C@H](n2ccnc2)C1)OC ZINC000642685203 384061888 /nfs/dbraw/zinc/06/18/88/384061888.db2.gz IZDQFPLGAPNTTR-QWHCGFSZSA-N 2 0 237.347 1.945 20 0 BDADRP C[C@H]1[C@H](C)[N@H+](C)CCN1CC[NH+]1CCCCC1 ZINC000335895729 384092075 /nfs/dbraw/zinc/09/20/75/384092075.db2.gz AUKUHRFBZLPBRW-KBPBESRZSA-N 2 0 239.407 1.497 20 0 BDADRP C[C@@H]([NH3+])CCC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000070315447 384099164 /nfs/dbraw/zinc/09/91/64/384099164.db2.gz ONEGZWKMJUECOV-LLVKDONJSA-N 2 0 249.358 1.814 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CO1 ZINC000401846949 384122664 /nfs/dbraw/zinc/12/26/64/384122664.db2.gz UUOLOCOEYLMSOH-FOJMLEQCSA-N 2 0 224.348 1.379 20 0 BDADRP CCOC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000313250736 384154353 /nfs/dbraw/zinc/15/43/53/384154353.db2.gz SWKHRQJCLCCVFD-KGLIPLIRSA-N 2 0 240.391 1.877 20 0 BDADRP COC[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)C1CC1 ZINC000397236422 384234911 /nfs/dbraw/zinc/23/49/11/384234911.db2.gz IWHMCUAWWNBIRM-VXGBXAGGSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)CO1 ZINC000566215664 384250299 /nfs/dbraw/zinc/25/02/99/384250299.db2.gz LEJRKJYOGCXYBJ-SRRSOLGSSA-N 2 0 224.348 1.236 20 0 BDADRP Cn1cccc1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093604558 384250640 /nfs/dbraw/zinc/25/06/40/384250640.db2.gz YSBFYUWWRIGZAT-CQSZACIVSA-N 2 0 247.386 1.943 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC2CC[NH+](C)CC2)CO1 ZINC000401908127 384253676 /nfs/dbraw/zinc/25/36/76/384253676.db2.gz VBFUSWNICUXGPH-YPMHNXCESA-N 2 0 226.364 1.485 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]21 ZINC000228476847 384259805 /nfs/dbraw/zinc/25/98/05/384259805.db2.gz IOIASFWPGKIWHX-MRVWCRGKSA-N 2 0 231.343 1.641 20 0 BDADRP CCC[C@H](C)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313340145 384270327 /nfs/dbraw/zinc/27/03/27/384270327.db2.gz LPYMHHAPDHKGQF-NWDGAFQWSA-N 2 0 214.353 1.472 20 0 BDADRP C[C@H](C[N@@H+]1CCCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000313345223 384273231 /nfs/dbraw/zinc/27/32/31/384273231.db2.gz FFUOYEDQWSYOMJ-UKRRQHHQSA-N 2 0 248.370 1.840 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1CCCOCC1 ZINC000083425555 384304248 /nfs/dbraw/zinc/30/42/48/384304248.db2.gz KDSGSYRXOVCKML-NWDGAFQWSA-N 2 0 214.353 1.485 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]C[C@@H](C)CO)CC1 ZINC000083215782 384290735 /nfs/dbraw/zinc/29/07/35/384290735.db2.gz ZHGYTDWEDMKZRW-LLVKDONJSA-N 2 0 214.353 1.077 20 0 BDADRP COC[C@H](C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173955218 384291046 /nfs/dbraw/zinc/29/10/46/384291046.db2.gz JAODHPZISLFHQD-STQMWFEESA-N 2 0 228.380 1.828 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCOCC(F)(F)F ZINC000405479347 384369002 /nfs/dbraw/zinc/36/90/02/384369002.db2.gz MTCHZHMVAIYMKW-HTQZYQBOSA-N 2 0 240.269 1.281 20 0 BDADRP FCCCCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000308829315 384329639 /nfs/dbraw/zinc/32/96/39/384329639.db2.gz IXJVEZKPHYLQNQ-RYUDHWBXSA-N 2 0 214.328 1.810 20 0 BDADRP CCC(C)(C)[C@H](C)[NH2+]C[C@]1(O)CCN(C)C1 ZINC000556453767 384392244 /nfs/dbraw/zinc/39/22/44/384392244.db2.gz CLDZQYWLURAICC-WCQYABFASA-N 2 0 228.380 1.467 20 0 BDADRP CC(C)[C@H](CCO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000229622672 384396069 /nfs/dbraw/zinc/39/60/69/384396069.db2.gz SZRBZBOEGVXBAI-MCIONIFRSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccsc2)C1 ZINC000235440369 384398208 /nfs/dbraw/zinc/39/82/08/384398208.db2.gz SYRNWKRAJRAZSN-NSHDSACASA-N 2 0 210.346 1.919 20 0 BDADRP C[C@@H]1CCC[C@H](C[NH+]2CCC(O)(C[NH3+])CC2)C1 ZINC000335626570 384405283 /nfs/dbraw/zinc/40/52/83/384405283.db2.gz UKZAWRKUSRPLSP-OLZOCXBDSA-N 2 0 240.391 1.598 20 0 BDADRP Cc1nc(C)c(C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)s1 ZINC000405529496 384406199 /nfs/dbraw/zinc/40/61/99/384406199.db2.gz XSZXOYNSVLDYPR-MNOVXSKESA-N 2 0 239.388 1.975 20 0 BDADRP C([NH2+][C@H]1CCCOCC1)C1CC[NH2+]CC1 ZINC000308870715 384377773 /nfs/dbraw/zinc/37/77/73/384377773.db2.gz YVPVIGAHJFNBQV-LBPRGKRZSA-N 2 0 212.337 1.145 20 0 BDADRP C[NH+](C)CCCN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000084215633 384378055 /nfs/dbraw/zinc/37/80/55/384378055.db2.gz QGEXMVZPGGJRAZ-VXGBXAGGSA-N 3 0 213.369 1.045 20 0 BDADRP C[C@H]1OCC[C@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000335607346 384381701 /nfs/dbraw/zinc/38/17/01/384381701.db2.gz RBUFMAWUCXXHPJ-ZYHUDNBSSA-N 2 0 210.321 1.015 20 0 BDADRP Cc1ccncc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000135451267 384445796 /nfs/dbraw/zinc/44/57/96/384445796.db2.gz GIJYMFYUXFQIHU-CYBMUJFWSA-N 2 0 245.370 1.964 20 0 BDADRP [NH3+]CCCC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000147855830 384455189 /nfs/dbraw/zinc/45/51/89/384455189.db2.gz MFUKYKDHABELAJ-STQMWFEESA-N 3 0 219.332 1.460 20 0 BDADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC1CCOCC1 ZINC000082544842 384430649 /nfs/dbraw/zinc/43/06/49/384430649.db2.gz VGZAXBZNHVMUBS-CMPLNLGQSA-N 2 0 212.337 1.225 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(F)cc1 ZINC000122304685 384472682 /nfs/dbraw/zinc/47/26/82/384472682.db2.gz FEYHLHVXAXJXNO-ZYHUDNBSSA-N 2 0 222.307 1.995 20 0 BDADRP C[C@@H](C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[C@H](C)[NH3+] ZINC000249070614 384476355 /nfs/dbraw/zinc/47/63/55/384476355.db2.gz QHUIRUMRYLTFGP-OUAUKWLOSA-N 2 0 243.395 1.062 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCOC2)CC1 ZINC000334385026 384478781 /nfs/dbraw/zinc/47/87/81/384478781.db2.gz MHVMPJCKKHZZFQ-MOENNCHZSA-N 2 0 212.337 1.238 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)OC)[C@H](C)C1 ZINC000175729600 384481953 /nfs/dbraw/zinc/48/19/53/384481953.db2.gz JUFHUZQYTQMTHF-VXGBXAGGSA-N 2 0 242.363 1.212 20 0 BDADRP CC(C)([NH3+])CCC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000648176864 384511762 /nfs/dbraw/zinc/51/17/62/384511762.db2.gz PYOMHCPWROYYCO-NSHDSACASA-N 2 0 241.379 1.138 20 0 BDADRP Cc1cccc(CC[NH2+]C[C@@]2(O)CCN(C)C2)c1 ZINC000449243727 384501207 /nfs/dbraw/zinc/50/12/07/384501207.db2.gz MSWAFAAOINTQBK-HNNXBMFYSA-N 2 0 248.370 1.194 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)[C@H]2[NH2+]CC2(C)C)cc1 ZINC000648146619 384490148 /nfs/dbraw/zinc/49/01/48/384490148.db2.gz WVASGROHFLWLJC-GFCCVEGCSA-N 2 0 247.342 1.343 20 0 BDADRP C[NH+](C)CCCNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000019439790 384522072 /nfs/dbraw/zinc/52/20/72/384522072.db2.gz HLJUZOFHJYJSSI-ZDUSSCGKSA-N 2 0 249.358 1.144 20 0 BDADRP CC(C)C[NH+]1CCC([NH2+][C@H]2CO[C@@H](C)C2)CC1 ZINC000402164498 384531013 /nfs/dbraw/zinc/53/10/13/384531013.db2.gz SATZZMRDRRCBPW-GXTWGEPZSA-N 2 0 240.391 1.874 20 0 BDADRP CC[NH+](CC)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000236837532 384589804 /nfs/dbraw/zinc/58/98/04/384589804.db2.gz RPEDGLGBBYICMC-NWDGAFQWSA-N 2 0 241.379 1.057 20 0 BDADRP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)C1(C)CC1 ZINC000151323103 384564630 /nfs/dbraw/zinc/56/46/30/384564630.db2.gz CVXOOLNKMMOKFR-QWHCGFSZSA-N 2 0 240.391 1.611 20 0 BDADRP Cc1cccc(CC[NH2+][C@H]2CCC[C@@H]2[NH3+])n1 ZINC000423086983 384566726 /nfs/dbraw/zinc/56/67/26/384566726.db2.gz OKMFHSXJCQGPCA-STQMWFEESA-N 2 0 219.332 1.402 20 0 BDADRP CC(C)(C)[NH2+]CCN1CCC(C)([NH3+])CC1 ZINC000647530998 384623888 /nfs/dbraw/zinc/62/38/88/384623888.db2.gz VLYTVJOPUJLKFA-UHFFFAOYSA-N 2 0 213.369 1.188 20 0 BDADRP CCC[C@H](C[NH2+][C@H]1CCCC[C@H]1C[NH3+])OC ZINC000356330620 384624917 /nfs/dbraw/zinc/62/49/17/384624917.db2.gz HFNBAKSHSHIHFA-XQQFMLRXSA-N 2 0 228.380 1.909 20 0 BDADRP CC[C@@H](CO)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000020194510 384592829 /nfs/dbraw/zinc/59/28/29/384592829.db2.gz FUIAQUYIFPIXHC-NSHDSACASA-N 2 0 214.353 1.220 20 0 BDADRP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)COC)C1 ZINC000176279017 384594375 /nfs/dbraw/zinc/59/43/75/384594375.db2.gz SEYQZIOBZCKIPZ-QWHCGFSZSA-N 2 0 228.380 1.685 20 0 BDADRP COC[C@H](C)C[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000556938317 384668646 /nfs/dbraw/zinc/66/86/46/384668646.db2.gz WNQAYJXQZNUEDV-VXGBXAGGSA-N 2 0 228.380 1.637 20 0 BDADRP COc1cc(CN[C@@H]2CC[N@H+](C)C[C@H]2C)ccn1 ZINC000358085509 384694940 /nfs/dbraw/zinc/69/49/40/384694940.db2.gz VFFKTHNROYIOEN-DGCLKSJQSA-N 2 0 249.358 1.520 20 0 BDADRP CN1CCC[C@@H]1C[NH2+][C@H]1CCOC1(C)C ZINC000335919966 384710665 /nfs/dbraw/zinc/71/06/65/384710665.db2.gz LNVHTKBRACTAIQ-MNOVXSKESA-N 2 0 212.337 1.238 20 0 BDADRP C[C@H]1CCC[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)C1 ZINC000336191130 384721655 /nfs/dbraw/zinc/72/16/55/384721655.db2.gz CBSJQKLKRRUMEL-QWHCGFSZSA-N 2 0 240.391 1.611 20 0 BDADRP CCC([NH3+])(CC)CN[C@@H]1C[NH2+]C[C@H](C)C1 ZINC000647546157 384729221 /nfs/dbraw/zinc/72/92/21/384729221.db2.gz BMOMFCAXFYFBLK-MNOVXSKESA-N 2 0 213.369 1.092 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](CCc2cccnc2)C1 ZINC000173897860 384730806 /nfs/dbraw/zinc/73/08/06/384730806.db2.gz FYDAUNCWVFYDEE-OAHLLOKOSA-N 2 0 247.386 1.898 20 0 BDADRP C[C@@H]1NCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647546951 384732973 /nfs/dbraw/zinc/73/29/73/384732973.db2.gz IBTYYRQRJIWPCC-MRTXSQPYSA-N 2 0 237.391 1.105 20 0 BDADRP C[NH2+]Cc1cccc(N[C@@H]2C[NH2+]C[C@@H](C)C2)c1 ZINC000647547138 384737258 /nfs/dbraw/zinc/73/72/58/384737258.db2.gz OVNSMQNTOKUKEM-FZMZJTMJSA-N 2 0 233.359 1.816 20 0 BDADRP COC[C@@H](C)C[NH2+]CC1CC[NH+](C)CC1 ZINC000054243818 384738899 /nfs/dbraw/zinc/73/88/99/384738899.db2.gz YDGCYDNYMREZAB-NSHDSACASA-N 2 0 214.353 1.200 20 0 BDADRP CC[NH+](CC)CCOCC[NH2+]C[C@H]1C[C@@H]1C ZINC000309958865 384744986 /nfs/dbraw/zinc/74/49/86/384744986.db2.gz KAJMOVIBIILAEP-QWHCGFSZSA-N 2 0 228.380 1.590 20 0 BDADRP C(C[NH2+]C1CC1)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647547729 384750563 /nfs/dbraw/zinc/75/05/63/384750563.db2.gz ATUPVBFUWCKZCY-MBNYWOFBSA-N 3 0 237.391 1.106 20 0 BDADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647548037 384751772 /nfs/dbraw/zinc/75/17/72/384751772.db2.gz SIGFSNGWRCSPLP-XGFWRYKXSA-N 3 0 237.391 1.092 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@H]2CCCOC2)CC1 ZINC000309974941 384756253 /nfs/dbraw/zinc/75/62/53/384756253.db2.gz RYTRIOGSDLRLIY-CPCZMJQVSA-N 2 0 226.364 1.628 20 0 BDADRP Cc1cn[nH]c1C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000647553202 384769480 /nfs/dbraw/zinc/76/94/80/384769480.db2.gz ICELHMWYZSFQOJ-UHFFFAOYSA-N 2 0 230.315 1.467 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)C(C)C ZINC000361816286 384819110 /nfs/dbraw/zinc/81/91/10/384819110.db2.gz XKEAPAPPRGEQJS-REWJHTLYSA-N 2 0 242.407 1.976 20 0 BDADRP CCO[C@H]1C[C@H]([N@H+](C)CCOCC[NH3+])C1(C)C ZINC000357103678 384820006 /nfs/dbraw/zinc/82/00/06/384820006.db2.gz KOEDLGSUYIDHJE-RYUDHWBXSA-N 2 0 244.379 1.097 20 0 BDADRP CCO[C@@H]1C[C@@H]([N@H+](C)CCOCC[NH3+])C1(C)C ZINC000357103686 384820337 /nfs/dbraw/zinc/82/03/37/384820337.db2.gz KOEDLGSUYIDHJE-VXGBXAGGSA-N 2 0 244.379 1.097 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CC[C@@H](C)O1 ZINC000398171771 384826033 /nfs/dbraw/zinc/82/60/33/384826033.db2.gz PATQNNNYQIQBDP-IJLUTSLNSA-N 2 0 214.353 1.661 20 0 BDADRP [NH3+][C@@H](CC(=O)N1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000163270925 384785489 /nfs/dbraw/zinc/78/54/89/384785489.db2.gz CJXRTIFHCLHORG-OLZOCXBDSA-N 2 0 247.342 1.026 20 0 BDADRP C[C@H]([NH2+][C@H]1CSC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000306621580 384787180 /nfs/dbraw/zinc/78/71/80/384787180.db2.gz VYXGLHMQLKNAIT-RCWTZXSCSA-N 2 0 214.378 1.468 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[NH2+]CC2)O1 ZINC000398107442 384805933 /nfs/dbraw/zinc/80/59/33/384805933.db2.gz AHZUEXCNMGWYCV-IJLUTSLNSA-N 2 0 212.337 1.286 20 0 BDADRP C[C@H](C[NH3+])N[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000423329117 384806235 /nfs/dbraw/zinc/80/62/35/384806235.db2.gz ONTCNTMWCFBINT-VHDGCEQUSA-N 2 0 247.386 1.759 20 0 BDADRP COC[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)C1CC1 ZINC000398109090 384808046 /nfs/dbraw/zinc/80/80/46/384808046.db2.gz NJXSJLGKHSGVKQ-CHWSQXEVSA-N 2 0 226.364 1.391 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CC1(O)CCCCC1 ZINC000335040216 384814490 /nfs/dbraw/zinc/81/44/90/384814490.db2.gz CNDNDVJDCMPHFT-QWRGUYRKSA-N 2 0 212.337 1.151 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCOC(F)(F)F ZINC000398257327 384869867 /nfs/dbraw/zinc/86/98/67/384869867.db2.gz QZSUQDOZWDAKPU-MRVPVSSYSA-N 2 0 228.258 1.630 20 0 BDADRP COC[C@H](C)[NH2+][C@@H]1CCCN(C)[C@@H]1C ZINC000308627967 384870626 /nfs/dbraw/zinc/87/06/26/384870626.db2.gz XOGDLGCJOTYFPT-HBNTYKKESA-N 2 0 200.326 1.094 20 0 BDADRP COC[C@H](C)[NH2+][C@H]1CCCN(C)[C@@H]1C ZINC000308627964 384871027 /nfs/dbraw/zinc/87/10/27/384871027.db2.gz XOGDLGCJOTYFPT-AXFHLTTASA-N 2 0 200.326 1.094 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCSC2)C1 ZINC000220666078 384871587 /nfs/dbraw/zinc/87/15/87/384871587.db2.gz PNSFULHJDVNAFF-GMTAPVOTSA-N 2 0 214.378 1.742 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)CCC1CC1 ZINC000398225382 384857928 /nfs/dbraw/zinc/85/79/28/384857928.db2.gz PRMYCOPAENIHFA-AAEUAGOBSA-N 2 0 228.380 1.909 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)CCC1CC1 ZINC000398225386 384858050 /nfs/dbraw/zinc/85/80/50/384858050.db2.gz PRMYCOPAENIHFA-WCQYABFASA-N 2 0 228.380 1.909 20 0 BDADRP Cc1ccc(C[NH2+]C[C@@H]2CNCCO2)c(C)c1 ZINC000258847260 384949001 /nfs/dbraw/zinc/94/90/01/384949001.db2.gz FOVRRIIUNCJLCE-AWEZNQCLSA-N 2 0 234.343 1.381 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCc1ccc(F)cc1F ZINC000259203277 384960521 /nfs/dbraw/zinc/96/05/21/384960521.db2.gz WYMAVHBRJMYYDW-OLZOCXBDSA-N 2 0 240.297 1.977 20 0 BDADRP CC(C)c1ccc(C[NH2+]C[C@H]2CNCCO2)cc1 ZINC000259009964 384957190 /nfs/dbraw/zinc/95/71/90/384957190.db2.gz XGZYGJINIIEOJT-OAHLLOKOSA-N 2 0 248.370 1.888 20 0 BDADRP C[C@H]([NH3+])CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000257742236 384925262 /nfs/dbraw/zinc/92/52/62/384925262.db2.gz CCFKBYVPZMWFJW-STQMWFEESA-N 2 0 225.380 1.284 20 0 BDADRP CCC[NH+]1CCC(C[NH2+]C[C@H](O)CC)CC1 ZINC000644533219 384946382 /nfs/dbraw/zinc/94/63/82/384946382.db2.gz GNOKGMLMLUEOKG-CYBMUJFWSA-N 2 0 228.380 1.469 20 0 BDADRP CC(C)CC[C@@H](O)C[NH2+][C@H](C)CC[NH+](C)C ZINC000644562846 384969424 /nfs/dbraw/zinc/96/94/24/384969424.db2.gz CWUVASKADDMOTA-CHWSQXEVSA-N 2 0 230.396 1.713 20 0 BDADRP Cc1nc(CC[NH2+]CC2CC[NH2+]CC2)cs1 ZINC000226318578 384972368 /nfs/dbraw/zinc/97/23/68/384972368.db2.gz YTGKQLYSKIPJGG-UHFFFAOYSA-N 2 0 239.388 1.583 20 0 BDADRP C[C@H](O)C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000644618147 385007776 /nfs/dbraw/zinc/00/77/76/385007776.db2.gz HKIXLTHPCNJJAY-LBPRGKRZSA-N 2 0 249.358 1.268 20 0 BDADRP CC[C@@H](CO)[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000086500771 385023081 /nfs/dbraw/zinc/02/30/81/385023081.db2.gz QTRHBJHFRCLFQJ-AGIUHOORSA-N 2 0 228.380 1.658 20 0 BDADRP C[N@H+](CC[C@H]1CC[NH2+]C1)C[C@@H]1CCC[NH+](C)C1 ZINC000259128602 384962622 /nfs/dbraw/zinc/96/26/22/384962622.db2.gz WMUPMUNUZQPUTQ-ZIAGYGMSSA-N 3 0 239.407 1.260 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]Cc1cccc2c1OCO2 ZINC000310441263 385063306 /nfs/dbraw/zinc/06/33/06/385063306.db2.gz VTWVGIYHTKRYRQ-SNVBAGLBSA-N 2 0 236.315 1.632 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)C1CC1 ZINC000340493573 385072580 /nfs/dbraw/zinc/07/25/80/385072580.db2.gz VQTKECOHDFYNRL-WCFLWFBJSA-N 2 0 226.364 1.341 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CC1(N(C)C)CCCCC1 ZINC000310473599 385079061 /nfs/dbraw/zinc/07/90/61/385079061.db2.gz BGKRDPOBPOWCPF-ZDUSSCGKSA-N 2 0 241.423 1.968 20 0 BDADRP c1ccc2c(c1)CC([NH2+]C1CC[NH2+]CC1)C2 ZINC000058819687 385023694 /nfs/dbraw/zinc/02/36/94/385023694.db2.gz MVOPTBROBQDHCM-UHFFFAOYSA-N 2 0 216.328 1.495 20 0 BDADRP C[C@@H](O)C[NH2+]Cc1ccc(CC[NH+](C)C)cc1 ZINC000644629840 385025369 /nfs/dbraw/zinc/02/53/69/385025369.db2.gz OYERPKXGVDHRJQ-GFCCVEGCSA-N 2 0 236.359 1.261 20 0 BDADRP C[C@@H](CNC1=[NH+]CCCN1)C[NH+]1CCCCC1 ZINC000303254324 385030358 /nfs/dbraw/zinc/03/03/58/385030358.db2.gz DXPOGMBPMIBOPF-LBPRGKRZSA-N 2 0 238.379 1.047 20 0 BDADRP C[C@@H](CN(C)C)[NH2+][C@@H]1CCCOCC1 ZINC000130379304 385035716 /nfs/dbraw/zinc/03/57/16/385035716.db2.gz AFYQUXALMPJQBF-WDEREUQCSA-N 2 0 200.326 1.095 20 0 BDADRP C[N@@H+]1CC[C@H](c2nc(C3([NH3+])CCCC3)no2)C1 ZINC000647137714 385109279 /nfs/dbraw/zinc/10/92/79/385109279.db2.gz KFXHAYOIOHZFEM-VIFPVBQESA-N 2 0 236.319 1.217 20 0 BDADRP COCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157240431 385119184 /nfs/dbraw/zinc/11/91/84/385119184.db2.gz PZYVIAVFXAQHBP-CYBMUJFWSA-N 2 0 226.364 1.583 20 0 BDADRP CC(C)COCC[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000404836786 385097809 /nfs/dbraw/zinc/09/78/09/385097809.db2.gz AKQMSWIUAOJLRI-QWRGUYRKSA-N 2 0 214.353 1.374 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC[C@H]1CCCO1 ZINC000404844537 385103023 /nfs/dbraw/zinc/10/30/23/385103023.db2.gz OJDMYHCZZKTFAQ-MXWKQRLJSA-N 2 0 212.337 1.271 20 0 BDADRP Cc1cccc(NCC[NH2+][C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000568900761 385105839 /nfs/dbraw/zinc/10/58/39/385105839.db2.gz DYBRRDSGQUVKNU-STQMWFEESA-N 2 0 248.374 1.661 20 0 BDADRP CCC[C@H](CCO)C[NH2+][C@@H](C)CCC[NH3+] ZINC000308814360 385181867 /nfs/dbraw/zinc/18/18/67/385181867.db2.gz ICROGUOJQSDOJR-NWDGAFQWSA-N 2 0 216.369 1.502 20 0 BDADRP COCCC[C@H](C)[NH2+]CCC[NH+](C)C ZINC000178115326 385183263 /nfs/dbraw/zinc/18/32/63/385183263.db2.gz VJQAMKDYIUJGHI-NSHDSACASA-N 2 0 202.342 1.343 20 0 BDADRP Cc1c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cnn1C ZINC000163495174 385199760 /nfs/dbraw/zinc/19/97/60/385199760.db2.gz QVGSNOOTPYDJEA-ZYHUDNBSSA-N 2 0 236.363 1.145 20 0 BDADRP C[C@@H]1c2cccn2CCN1CCn1ccnc1 ZINC000176797272 385149453 /nfs/dbraw/zinc/14/94/53/385149453.db2.gz QVLWFRMOESQYSE-GFCCVEGCSA-N 2 0 230.315 1.761 20 0 BDADRP C[C@H](CCC[NH3+])NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000647064697 385209789 /nfs/dbraw/zinc/20/97/89/385209789.db2.gz PVQKFNFGLDTZCN-YPMHNXCESA-N 2 0 249.358 1.320 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)C[NH2+]CC2CC2)cc1 ZINC000178227503 385210781 /nfs/dbraw/zinc/21/07/81/385210781.db2.gz YNRPUPYDKHBIJD-JTQLQIEISA-N 2 0 247.342 1.644 20 0 BDADRP COCC[C@H](C)[NH2+]CCCC[NH+](C)C ZINC000045664305 385273040 /nfs/dbraw/zinc/27/30/40/385273040.db2.gz JTYOKPAPWMBLQP-NSHDSACASA-N 2 0 202.342 1.343 20 0 BDADRP CC[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)OC ZINC000308928405 385290214 /nfs/dbraw/zinc/29/02/14/385290214.db2.gz QQQVWVAZKKFFOE-QJPTWQEYSA-N 2 0 214.353 1.484 20 0 BDADRP Cc1ccncc1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000228061623 385323626 /nfs/dbraw/zinc/32/36/26/385323626.db2.gz BRVDKLXWFRIASM-VXGBXAGGSA-N 2 0 219.332 1.559 20 0 BDADRP COCCC[C@@H](C)[NH2+]C[C@@H](C)N(C)C1CC1 ZINC000178784276 385331766 /nfs/dbraw/zinc/33/17/66/385331766.db2.gz HNEKEXWJPGCOGK-VXGBXAGGSA-N 2 0 228.380 1.874 20 0 BDADRP CC[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])OC ZINC000308994917 385336063 /nfs/dbraw/zinc/33/60/63/385336063.db2.gz PJACQVIQKMTLBD-IJLUTSLNSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@H](C(=O)NCC[NH+](C)C)[C@@H]([NH3+])c1ccccc1 ZINC000131610573 385346660 /nfs/dbraw/zinc/34/66/60/385346660.db2.gz RVFSRQBZHOMVIR-WCQYABFASA-N 2 0 249.358 1.000 20 0 BDADRP C[C@]1(C(=O)Nc2ccc(C[NH3+])cc2)CCC[NH2+]C1 ZINC000131740500 385357463 /nfs/dbraw/zinc/35/74/63/385357463.db2.gz CKTGNGFXPQZEAB-AWEZNQCLSA-N 2 0 247.342 1.474 20 0 BDADRP Cc1cc(C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)ccn1 ZINC000405243530 385398655 /nfs/dbraw/zinc/39/86/55/385398655.db2.gz XSQRZJPHWLAKBN-RYUDHWBXSA-N 2 0 219.332 1.605 20 0 BDADRP C(C[NH2+][C@H]1CCSC1)C[NH+]1CCCC1 ZINC000020128942 385419360 /nfs/dbraw/zinc/41/93/60/385419360.db2.gz NQLDTFLDUZQIPB-NSHDSACASA-N 2 0 214.378 1.567 20 0 BDADRP C[C@H](CN[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+](C)C ZINC000156258643 385444983 /nfs/dbraw/zinc/44/49/83/385444983.db2.gz YYFYXFAXAUQNSB-IJLUTSLNSA-N 2 0 213.369 1.009 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@H]1CCCS1 ZINC000308119330 385456189 /nfs/dbraw/zinc/45/61/89/385456189.db2.gz CGPFCLBNPYBKBB-NXEZZACHSA-N 2 0 202.367 1.599 20 0 BDADRP COc1cccc(C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)c1 ZINC000405297018 385456353 /nfs/dbraw/zinc/45/63/53/385456353.db2.gz PJCKGGHHBXHOKQ-STQMWFEESA-N 2 0 234.343 1.911 20 0 BDADRP CCOCCC[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000405318845 385483356 /nfs/dbraw/zinc/48/33/56/385483356.db2.gz QHUCKOPRTRJETA-VHSXEESVSA-N 2 0 200.326 1.128 20 0 BDADRP C[NH2+]Cc1ccccc1NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000644097039 385460709 /nfs/dbraw/zinc/46/07/09/385460709.db2.gz ZETFVIOHGNMYAH-GFCCVEGCSA-N 2 0 247.342 1.343 20 0 BDADRP CC[NH2+]CC1CC[NH+](Cc2ccc(N)nc2)CC1 ZINC000647503431 385501465 /nfs/dbraw/zinc/50/14/65/385501465.db2.gz YJSXEISCYHSNLL-UHFFFAOYSA-N 2 0 248.374 1.316 20 0 BDADRP C[C@@H](C[NH2+][C@@H](C)CCC[NH3+])C[NH+]1CCCC1 ZINC000309294113 385513261 /nfs/dbraw/zinc/51/32/61/385513261.db2.gz WTSHUQGCTKNJSU-STQMWFEESA-N 2 0 227.396 1.435 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@H](C)[C@H]1CCCO1 ZINC000183278301 385515395 /nfs/dbraw/zinc/51/53/95/385515395.db2.gz RJEBIOWCSMYDON-CHWSQXEVSA-N 2 0 228.380 1.875 20 0 BDADRP CC[C@](C)(C[NH2+]CC1=CC[N@H+](C)CC1)OC ZINC000319067313 385545383 /nfs/dbraw/zinc/54/53/83/385545383.db2.gz PZHMTAIUABXCHF-CYBMUJFWSA-N 2 0 226.364 1.653 20 0 BDADRP Nc1ncnc(N[C@H]2CCC[C@@H]([NH3+])C2)c1Cl ZINC000643030306 385526223 /nfs/dbraw/zinc/52/62/23/385526223.db2.gz LNOMBYXNIJNNTA-RQJHMYQMSA-N 2 0 241.726 1.394 20 0 BDADRP CCOc1cccc(C[NH2+]C[C@@H](C)C[NH3+])c1 ZINC000309422074 385576724 /nfs/dbraw/zinc/57/67/24/385576724.db2.gz YEHCMUPGCJDXBY-NSHDSACASA-N 2 0 222.332 1.770 20 0 BDADRP CC[NH+](CC)CCN1CC[C@H]2CC[N@H+](C)[C@@H]2C1 ZINC000365008282 385563239 /nfs/dbraw/zinc/56/32/39/385563239.db2.gz KJZDYQLGXNEBFB-ZIAGYGMSSA-N 2 0 239.407 1.354 20 0 BDADRP C[C@@H]([NH2+]Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC000414850118 385630106 /nfs/dbraw/zinc/63/01/06/385630106.db2.gz HQLREJIQJDKYRL-YPMHNXCESA-N 2 0 219.332 1.559 20 0 BDADRP CCC1(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)COC1 ZINC000393984397 385608820 /nfs/dbraw/zinc/60/88/20/385608820.db2.gz JBUHAJUAUVEQOK-RYUDHWBXSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCCCCF)C1 ZINC000336681968 385640012 /nfs/dbraw/zinc/64/00/12/385640012.db2.gz HYFSCKLIHKJPIC-WDEREUQCSA-N 2 0 202.317 1.795 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C1CCSCC1 ZINC000306953883 385643874 /nfs/dbraw/zinc/64/38/74/385643874.db2.gz IWQZSDWFAHVKDW-GHMZBOCLSA-N 2 0 214.378 1.742 20 0 BDADRP CCOC[C@@H]1CCC[N@H+](CCC[NH2+]C)C1 ZINC000309515615 385653630 /nfs/dbraw/zinc/65/36/30/385653630.db2.gz RHYYVECOYAILHN-GFCCVEGCSA-N 2 0 214.353 1.344 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)CN1CCCCC1 ZINC000336684507 385671883 /nfs/dbraw/zinc/67/18/83/385671883.db2.gz ZOECSSVFIQOQKJ-CHWSQXEVSA-N 2 0 227.396 1.578 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+]C1CCC(C(=O)OC)CC1 ZINC000414853702 385684011 /nfs/dbraw/zinc/68/40/11/385684011.db2.gz STLFNVKEWKIVOD-VOMCLLRMSA-N 2 0 242.363 1.163 20 0 BDADRP C[C@@H]([NH2+]CCC[NH+](C)C)c1cccc(CO)c1 ZINC000270476841 385710869 /nfs/dbraw/zinc/71/08/69/385710869.db2.gz JYLVLJMTIGEKNO-GFCCVEGCSA-N 2 0 236.359 1.781 20 0 BDADRP C[N@H+](CCCCCO)C[C@@]1(C)CC[NH2+]C1 ZINC000336691934 385728233 /nfs/dbraw/zinc/72/82/33/385728233.db2.gz KVPIGWSDNAXDBR-LBPRGKRZSA-N 2 0 214.353 1.080 20 0 BDADRP CC[C@H]1CC[C@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000336736033 385729308 /nfs/dbraw/zinc/72/93/08/385729308.db2.gz MENJENWJKGCHTC-NWDGAFQWSA-N 2 0 226.364 1.221 20 0 BDADRP CC[C@H]1CC[C@@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000336736034 385730035 /nfs/dbraw/zinc/73/00/35/385730035.db2.gz MENJENWJKGCHTC-RYUDHWBXSA-N 2 0 226.364 1.221 20 0 BDADRP Cc1cncc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647793798 385731202 /nfs/dbraw/zinc/73/12/02/385731202.db2.gz IROBEXOSXCEWHP-QLFBSQMISA-N 2 0 245.370 1.868 20 0 BDADRP C[NH2+]CCC[NH2+]C/C=C/c1ccccc1OC ZINC000414857716 385731811 /nfs/dbraw/zinc/73/18/11/385731811.db2.gz FKGOAGAHDQJRMN-VMPITWQZSA-N 2 0 234.343 1.908 20 0 BDADRP C[C@@H]([NH2+]CCO)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185763907 385734753 /nfs/dbraw/zinc/73/47/53/385734753.db2.gz CEPUASABVJAJSO-NEPJUHHUSA-N 2 0 226.364 1.221 20 0 BDADRP CC[NH+](CC)CCC[NH2+]C1(CO)CCCC1 ZINC000309615218 385743862 /nfs/dbraw/zinc/74/38/62/385743862.db2.gz CPWCJZLHIYDPGO-UHFFFAOYSA-N 2 0 228.380 1.613 20 0 BDADRP CC[NH2+]Cc1cccc(N[C@H]2CC[NH2+]C2)c1 ZINC000414861163 385745239 /nfs/dbraw/zinc/74/52/39/385745239.db2.gz FDGFXYFJIGQYNF-ZDUSSCGKSA-N 2 0 219.332 1.570 20 0 BDADRP CO[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000309665073 385776448 /nfs/dbraw/zinc/77/64/48/385776448.db2.gz SXJQCWPLRJPNCF-LPWJVIDDSA-N 2 0 226.364 1.484 20 0 BDADRP c1ccc([C@@H]2C[C@H](N[C@@H]3CC[NH2+]C3)CC[NH2+]2)cc1 ZINC000414866383 385777708 /nfs/dbraw/zinc/77/77/08/385777708.db2.gz FCHCIFNJKAQSEM-KFWWJZLASA-N 2 0 245.370 1.431 20 0 BDADRP CC(C)[NH2+]CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647799197 385798125 /nfs/dbraw/zinc/79/81/25/385798125.db2.gz AIZDIJSYFWTCNP-MGPQQGTHSA-N 3 0 239.407 1.352 20 0 BDADRP C[C@H](C[C@@H]1COCCN1)[NH2+][C@H]1CCC[C@@H](F)C1 ZINC000647799283 385799258 /nfs/dbraw/zinc/79/92/58/385799258.db2.gz CKJISDVKMGANFF-FVCCEPFGSA-N 2 0 244.354 1.624 20 0 BDADRP CCCC[C@H](COC)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414945408 385800095 /nfs/dbraw/zinc/80/00/95/385800095.db2.gz RLOWHUKRHRQPFP-XQQFMLRXSA-N 2 0 228.380 1.779 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccn(C)n1 ZINC000647799761 385802495 /nfs/dbraw/zinc/80/24/95/385802495.db2.gz QDFCBAAQPXBKOB-QNWHQSFQSA-N 2 0 248.374 1.459 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647799964 385803783 /nfs/dbraw/zinc/80/37/83/385803783.db2.gz VSEJVLUJMWTILR-PDWCTOEPSA-N 2 0 238.375 1.532 20 0 BDADRP CS[C@H](CO)[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000336715563 385811064 /nfs/dbraw/zinc/81/10/64/385811064.db2.gz WUDOUPMWOBYVOT-HBNTYKKESA-N 2 0 234.409 1.206 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000336714520 385812689 /nfs/dbraw/zinc/81/26/89/385812689.db2.gz PCJAMCARSXPKSC-KBPBESRZSA-N 2 0 241.423 1.968 20 0 BDADRP CC[C@H](COC)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414949896 385814269 /nfs/dbraw/zinc/81/42/69/385814269.db2.gz NYUMJTYXCPLBNK-GMTAPVOTSA-N 2 0 200.326 1.142 20 0 BDADRP CCC[NH2+]CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000414868773 385832399 /nfs/dbraw/zinc/83/23/99/385832399.db2.gz KMKCJXQZAWKUBL-MGPQQGTHSA-N 2 0 239.407 1.496 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC1CCC(F)CC1 ZINC000647804575 385841010 /nfs/dbraw/zinc/84/10/10/385841010.db2.gz VBZVMJWSCTXGHJ-KIDURHIOSA-N 2 0 214.328 1.984 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCS[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000647804538 385841335 /nfs/dbraw/zinc/84/13/35/385841335.db2.gz TUILWTYLTGPIMF-RCWTZXSCSA-N 2 0 214.378 1.611 20 0 BDADRP C[NH2+]Cc1cccc(N[C@@H]2CCC[NH2+]CC2)c1 ZINC000414870016 385845388 /nfs/dbraw/zinc/84/53/88/385845388.db2.gz RYBLOAFHZKXGFU-CYBMUJFWSA-N 2 0 233.359 1.960 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000414871121 385853841 /nfs/dbraw/zinc/85/38/41/385853841.db2.gz CYCIPUDMDSKFBO-NSHDSACASA-N 2 0 244.342 1.761 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647797838 385789766 /nfs/dbraw/zinc/78/97/66/385789766.db2.gz DQSBXICYQMQXIL-DHGKCCLASA-N 2 0 238.375 1.532 20 0 BDADRP Cn1ccc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)n1 ZINC000271119094 385790746 /nfs/dbraw/zinc/79/07/46/385790746.db2.gz IZOHUWAEIOFXHO-NSHDSACASA-N 2 0 245.330 1.523 20 0 BDADRP C[NH+](C)CC1(NC(=O)C=Cc2c[nH]cn2)CCC1 ZINC000282873585 385791948 /nfs/dbraw/zinc/79/19/48/385791948.db2.gz UWDBOQDJUPXXMF-SNAWJCMRSA-N 2 0 248.330 1.023 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]Cc1ccccc1N(C)C ZINC000414874098 385884434 /nfs/dbraw/zinc/88/44/34/385884434.db2.gz IAIGNSQIPZIBRJ-NSHDSACASA-N 2 0 221.348 1.437 20 0 BDADRP Cc1n[nH]cc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250954657 385930363 /nfs/dbraw/zinc/93/03/63/385930363.db2.gz RCSUEFLKIXFBTP-BFHYXJOUSA-N 2 0 248.374 1.728 20 0 BDADRP C[NH2+]Cc1cccc(N[C@@H]2CCC[NH2+]C2)c1 ZINC000414875386 385893203 /nfs/dbraw/zinc/89/32/03/385893203.db2.gz ZSUXKUSQTNGYNC-CYBMUJFWSA-N 2 0 219.332 1.570 20 0 BDADRP C[N@H+](CCC[NH3+])CCCC1CC[NH2+]CC1 ZINC000647847354 385896768 /nfs/dbraw/zinc/89/67/68/385896768.db2.gz LDIGTHYSCXSMAX-UHFFFAOYSA-N 3 0 213.369 1.047 20 0 BDADRP CN(C)C(=O)c1cccc(CN(C)CCC[NH3+])c1 ZINC000647848336 385899388 /nfs/dbraw/zinc/89/93/88/385899388.db2.gz MVOCAEBPMVEXQU-UHFFFAOYSA-N 2 0 249.358 1.169 20 0 BDADRP CC1(C)CNCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000647851823 385902807 /nfs/dbraw/zinc/90/28/07/385902807.db2.gz BWBIHSZAGQHOCE-UHFFFAOYSA-N 2 0 225.380 1.060 20 0 BDADRP COC[C@]1(C[NH2+]CCC(C)(C)C)CCC[NH2+]1 ZINC000414963208 385904203 /nfs/dbraw/zinc/90/42/03/385904203.db2.gz WRUUSZSXAWQYEP-CYBMUJFWSA-N 2 0 228.380 1.781 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]C/C=C/c1ccccc1 ZINC000414876260 385908715 /nfs/dbraw/zinc/90/87/15/385908715.db2.gz LCAZATUMTDCWLC-FZKGZDJFSA-N 2 0 204.317 1.884 20 0 BDADRP COC1(C[NH+]2CCC([NH3+])CC2)CCCC1 ZINC000308909591 385909162 /nfs/dbraw/zinc/90/91/62/385909162.db2.gz SDYVUAMXXIVBES-UHFFFAOYSA-N 2 0 212.337 1.369 20 0 BDADRP CO[C@H]1C[C@@H]([N@H+](C)CCCn2ccnc2)C1 ZINC000285336898 385915569 /nfs/dbraw/zinc/91/55/69/385915569.db2.gz KFLCWFCGOVQKQD-TXEJJXNPSA-N 2 0 223.320 1.382 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC000414877010 385917984 /nfs/dbraw/zinc/91/79/84/385917984.db2.gz MHYYKXITZFEZSY-NSHDSACASA-N 2 0 244.342 1.761 20 0 BDADRP C[C@H]([NH2+][C@@H]1COc2ccccc2C1)C1C[NH2+]C1 ZINC000335032721 385921443 /nfs/dbraw/zinc/92/14/43/385921443.db2.gz YUVDBKQMKVPQCI-GWCFXTLKSA-N 2 0 232.327 1.188 20 0 BDADRP C(C[N@H+](C1CC1)C1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC000647815525 385869212 /nfs/dbraw/zinc/86/92/12/385869212.db2.gz XXMDDOGFONQHJA-GFCCVEGCSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@H]1CCCN(C(=O)CCC(C)(C)[NH3+])[C@@H]1C[NH3+] ZINC000647819617 385871433 /nfs/dbraw/zinc/87/14/33/385871433.db2.gz HZHZOPAEBYPHTQ-WDEREUQCSA-N 2 0 241.379 1.090 20 0 BDADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC[C@H]1CCCO1 ZINC000250840553 385928008 /nfs/dbraw/zinc/92/80/08/385928008.db2.gz LUNUTPOMGLQPCF-QWHCGFSZSA-N 2 0 226.364 1.759 20 0 BDADRP C[C@H]1C[NH2+]CCN1CCCC1CC[NH2+]CC1 ZINC000647828428 385876452 /nfs/dbraw/zinc/87/64/52/385876452.db2.gz CMNLLGNUEBPPEO-LBPRGKRZSA-N 2 0 225.380 1.060 20 0 BDADRP COC[C@@H]([NH2+]CCC[NH2+]C1CC1)C1CC1 ZINC000397389252 385882134 /nfs/dbraw/zinc/88/21/34/385882134.db2.gz XDEVYMZWOMMCQQ-GFCCVEGCSA-N 2 0 212.337 1.143 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CC[C@H](CO)[C@@H]1C ZINC000338355407 385977270 /nfs/dbraw/zinc/97/72/70/385977270.db2.gz JJHKGQBUTSPWPV-QWHCGFSZSA-N 2 0 228.380 1.421 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000295141167 385977335 /nfs/dbraw/zinc/97/73/35/385977335.db2.gz PXUJHNWISADJMU-VXGBXAGGSA-N 2 0 247.342 1.601 20 0 BDADRP Cc1cn[nH]c1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414971934 385977346 /nfs/dbraw/zinc/97/73/46/385977346.db2.gz XBIOFYLLAAOJAC-NSHDSACASA-N 2 0 222.336 1.340 20 0 BDADRP CC[NH+](CC)CCOCC[NH2+][C@H](C)[C@H]1C[C@@H]1C ZINC000414132810 385980754 /nfs/dbraw/zinc/98/07/54/385980754.db2.gz MUVXVOXUJUKGGB-MJBXVCDLSA-N 2 0 242.407 1.979 20 0 BDADRP CO[C@](C)(C[NH2+]CCC[NH+](C)C)C1CC1 ZINC000309001848 385934118 /nfs/dbraw/zinc/93/41/18/385934118.db2.gz LPVUPFZLEVVNGY-GFCCVEGCSA-N 2 0 214.353 1.343 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCOCC3CC3)C[C@@H]21 ZINC000342088600 385937118 /nfs/dbraw/zinc/93/71/18/385937118.db2.gz ADRCXNCNJJPVPY-HZSPNIEDSA-N 2 0 238.375 1.472 20 0 BDADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]C1CC1 ZINC000335043752 385937192 /nfs/dbraw/zinc/93/71/92/385937192.db2.gz WVHUKJYJTQSQON-ZFWWWQNUSA-N 2 0 244.338 1.994 20 0 BDADRP CC1([NH3+])CC[NH+](CCCCCF)CC1 ZINC000647924069 385939239 /nfs/dbraw/zinc/93/92/39/385939239.db2.gz BUHZIOHMMCNSEG-UHFFFAOYSA-N 2 0 202.317 1.939 20 0 BDADRP CC[C@H]([NH2+]CCC[N@H+](C)CCOC)[C@H]1C[C@H]1C ZINC000414075139 385948402 /nfs/dbraw/zinc/94/84/02/385948402.db2.gz XKDHJOCPQRCINS-RDBSUJKOSA-N 2 0 242.407 1.979 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC1(O)CCC1 ZINC000335051542 385949168 /nfs/dbraw/zinc/94/91/68/385949168.db2.gz QUTOIPRQYQWTPR-GHMZBOCLSA-N 2 0 212.337 1.151 20 0 BDADRP Cc1cnn(CC[N@H+]2CC[C@H]([NH3+])C[C@H]2C)c1 ZINC000304326602 385953272 /nfs/dbraw/zinc/95/32/72/385953272.db2.gz CXXKEOUASYVYRY-NEPJUHHUSA-N 2 0 222.336 1.003 20 0 BDADRP COCC[C@H](C)[NH2+][C@@H]1CCCN(C)[C@H]1C ZINC000336768457 385956713 /nfs/dbraw/zinc/95/67/13/385956713.db2.gz UFXCBJVVHBMGNU-SDDRHHMPSA-N 2 0 214.353 1.484 20 0 BDADRP [NH3+]CCCN(Cc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000647942757 385964642 /nfs/dbraw/zinc/96/46/42/385964642.db2.gz QZIZVLQUYSXKKQ-OAHLLOKOSA-N 2 0 247.386 1.447 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1NCC1([NH3+])CCCCC1 ZINC000335012379 385967926 /nfs/dbraw/zinc/96/79/26/385967926.db2.gz YYEDQMGYMHXRBV-STQMWFEESA-N 3 0 239.407 1.578 20 0 BDADRP CO[C@H](C)C[N@H+](CC(C)(C)[NH3+])C(C)C ZINC000336747264 385971714 /nfs/dbraw/zinc/97/17/14/385971714.db2.gz CFUFDNRDSQXPIU-SNVBAGLBSA-N 2 0 202.342 1.469 20 0 BDADRP CC(C)CCC[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000338430372 385999572 /nfs/dbraw/zinc/99/95/72/385999572.db2.gz KILDIWRVIBKLBE-CQSZACIVSA-N 2 0 241.423 1.648 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414973968 385999684 /nfs/dbraw/zinc/99/96/84/385999684.db2.gz NGAGHXYQFRRNFJ-SRVKXCTJSA-N 2 0 212.337 1.286 20 0 BDADRP CCOC[C@@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000336770750 386007115 /nfs/dbraw/zinc/00/71/15/386007115.db2.gz VWMKRYRGQGHEGA-LLVKDONJSA-N 2 0 212.337 1.263 20 0 BDADRP CC(C)C[C@@H]([NH3+])c1noc(C[C@H](C)[NH3+])n1 ZINC000309499021 386016264 /nfs/dbraw/zinc/01/62/64/386016264.db2.gz ULTNFBCHDNHHEE-JGVFFNPUSA-N 2 0 212.297 1.005 20 0 BDADRP CCCC[C@H](COC)[NH2+]C[C@H](C)C[NH3+] ZINC000414882813 386019616 /nfs/dbraw/zinc/01/96/16/386019616.db2.gz UORRVYCWGRXHIY-GHMZBOCLSA-N 2 0 202.342 1.376 20 0 BDADRP CC1(C)[C@H](O)C[C@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000335061658 386025864 /nfs/dbraw/zinc/02/58/64/386025864.db2.gz BXWKYIBYXWVPLQ-KIDURHIOSA-N 2 0 226.364 1.253 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](CCCCC(F)(F)F)C1 ZINC000124397624 386030023 /nfs/dbraw/zinc/03/00/23/386030023.db2.gz ZBFVZVJAZOUTPA-SECBINFHSA-N 2 0 224.270 2.000 20 0 BDADRP CC(C)n1nccc1C[NH2+]C[C@H](C)C[NH3+] ZINC000414884034 386035813 /nfs/dbraw/zinc/03/58/13/386035813.db2.gz VKLDSDUCGDMVTR-SNVBAGLBSA-N 2 0 210.325 1.148 20 0 BDADRP CC(C)([NH3+])C[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000414979253 386043028 /nfs/dbraw/zinc/04/30/28/386043028.db2.gz NJBINCKMWGTDHW-UHFFFAOYSA-N 2 0 233.359 1.872 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000414148303 385996321 /nfs/dbraw/zinc/99/63/21/385996321.db2.gz RWAXPOQXPYSROJ-MEBFFEOJSA-N 2 0 240.391 1.872 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@H](C)CC1CCOCC1 ZINC000414881587 385996658 /nfs/dbraw/zinc/99/66/58/385996658.db2.gz SKKWDXSQDYECMD-GHMZBOCLSA-N 2 0 214.353 1.376 20 0 BDADRP CCCC[C@H](COC)[NH2+]C[C@H]([NH3+])CC ZINC000414985371 386104187 /nfs/dbraw/zinc/10/41/87/386104187.db2.gz HQTJQNSSWYFPAC-GHMZBOCLSA-N 2 0 202.342 1.519 20 0 BDADRP CC[NH2+]CC1CC[NH+](CC2(C[NH3+])CC2)CC1 ZINC000414666763 386111587 /nfs/dbraw/zinc/11/15/87/386111587.db2.gz XICPOXAGBNVQOK-UHFFFAOYSA-N 3 0 225.380 1.047 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cn[nH]c1 ZINC000340519096 386114089 /nfs/dbraw/zinc/11/40/89/386114089.db2.gz UKJUKHLXADBTNE-NSHDSACASA-N 2 0 248.374 1.935 20 0 BDADRP CC[C@H]([NH3+])CNCc1cnn(CC(C)C)c1 ZINC000414987378 386117947 /nfs/dbraw/zinc/11/79/47/386117947.db2.gz YWWSLVGGQJULLW-LBPRGKRZSA-N 2 0 224.352 1.366 20 0 BDADRP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)C1CCOCC1 ZINC000336728391 386070911 /nfs/dbraw/zinc/07/09/11/386070911.db2.gz CMZRNBJJPMQRMH-NWDGAFQWSA-N 2 0 228.380 1.589 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414655685 386081527 /nfs/dbraw/zinc/08/15/27/386081527.db2.gz DVAMRBDXQPUUGA-YVECIDJPSA-N 2 0 225.380 1.044 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1)C1CC1 ZINC000425449771 386083359 /nfs/dbraw/zinc/08/33/59/386083359.db2.gz TZWMMFVCSJFROB-ZIAGYGMSSA-N 2 0 238.375 1.439 20 0 BDADRP c1ccc([C@H]2CN(C[C@@H]3CC[NH2+]C3)CCO2)cc1 ZINC000647874791 386144188 /nfs/dbraw/zinc/14/41/88/386144188.db2.gz YRPJBQFGPBGACM-UKRRQHHQSA-N 2 0 246.354 1.669 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH+]1C)CC1(CO)CC1 ZINC000190028386 386144594 /nfs/dbraw/zinc/14/45/94/386144594.db2.gz QAOBTHAPPRDLEH-LBPRGKRZSA-N 2 0 226.364 1.175 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000414992035 386150971 /nfs/dbraw/zinc/15/09/71/386150971.db2.gz QXIXVFXGJNLQOF-QJPTWQEYSA-N 2 0 214.353 1.517 20 0 BDADRP C[C@@H]1C[C@H](C[NH+]2C[C@H](C)N[C@@H](C)C2)CC[NH2+]1 ZINC000414675703 386155273 /nfs/dbraw/zinc/15/52/73/386155273.db2.gz RGYUSMPTSWLZNS-MROQNXINSA-N 2 0 225.380 1.057 20 0 BDADRP CC(C)(C)[NH2+]CCN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000414678409 386156804 /nfs/dbraw/zinc/15/68/04/386156804.db2.gz XRSYJCYSFTVHEC-YNEHKIRRSA-N 2 0 239.407 1.434 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](CO)C2)CC[NH2+]1 ZINC000414677513 386156868 /nfs/dbraw/zinc/15/68/68/386156868.db2.gz WOFVIKMVOFRFBK-UPJWGTAASA-N 2 0 226.364 1.079 20 0 BDADRP COCC1(C[NH2+]CCC[NH+]2CCCC2)CCC1 ZINC000310214196 386164866 /nfs/dbraw/zinc/16/48/66/386164866.db2.gz FLPKOFXBBIVKSM-UHFFFAOYSA-N 2 0 240.391 1.879 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCCOC1 ZINC000414994300 386170520 /nfs/dbraw/zinc/17/05/20/386170520.db2.gz MBKZMPUFLLHQQJ-OMXXWXSESA-N 2 0 238.375 1.519 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH2+]CCC2CCOCC2)C1 ZINC000310281962 386173396 /nfs/dbraw/zinc/17/33/96/386173396.db2.gz HPHCINAUPQVMLD-AWEZNQCLSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@H](CC[NH3+])[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000414894401 386173650 /nfs/dbraw/zinc/17/36/50/386173650.db2.gz LHHLAPNTNBTBBU-GFCCVEGCSA-N 2 0 248.370 1.881 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CC[C@H](C[NH+](C)C)C1 ZINC000414685979 386174806 /nfs/dbraw/zinc/17/48/06/386174806.db2.gz ADBHMABZVSNMJO-CHWSQXEVSA-N 2 0 227.396 1.243 20 0 BDADRP Cc1ccc(CCC[NH2+]C[C@@H]([NH3+])C2CC2)cn1 ZINC000414895017 386184924 /nfs/dbraw/zinc/18/49/24/386184924.db2.gz VCBFVMYQUGBIKU-CQSZACIVSA-N 2 0 233.359 1.650 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)NCC[N@H+](CC)C(C)C ZINC000353581732 386189249 /nfs/dbraw/zinc/18/92/49/386189249.db2.gz NMUTWKAARANRJZ-CYBMUJFWSA-N 2 0 243.395 1.350 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000414671043 386139170 /nfs/dbraw/zinc/13/91/70/386139170.db2.gz LOSUWHATSQAKQH-TUAOUCFPSA-N 2 0 213.369 1.042 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000414671044 386140701 /nfs/dbraw/zinc/14/07/01/386140701.db2.gz LOSUWHATSQAKQH-UTUOFQBUSA-N 2 0 213.369 1.042 20 0 BDADRP CCOC[C@@H]1CC[N@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000414699784 386205287 /nfs/dbraw/zinc/20/52/87/386205287.db2.gz FONVKUSYBKVNBU-OLZOCXBDSA-N 2 0 228.380 1.718 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000414700239 386205585 /nfs/dbraw/zinc/20/55/85/386205585.db2.gz FXFBNDIYLHSFOG-CHWSQXEVSA-N 2 0 226.364 1.472 20 0 BDADRP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000414700244 386205724 /nfs/dbraw/zinc/20/57/24/386205724.db2.gz FXFBNDIYLHSFOG-STQMWFEESA-N 2 0 226.364 1.472 20 0 BDADRP CCOC[C@H]1CC[N@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000414699786 386205989 /nfs/dbraw/zinc/20/59/89/386205989.db2.gz FONVKUSYBKVNBU-QWHCGFSZSA-N 2 0 228.380 1.718 20 0 BDADRP [NH3+]CCCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000414704153 386214209 /nfs/dbraw/zinc/21/42/09/386214209.db2.gz JKJIFXOMVPDFIQ-OCCSQVGLSA-N 2 0 237.391 1.284 20 0 BDADRP CC[C@H](O)C[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000339023709 386215212 /nfs/dbraw/zinc/21/52/12/386215212.db2.gz NBZKRIRZXSALHM-AAEUAGOBSA-N 2 0 236.315 1.306 20 0 BDADRP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000343190327 386216339 /nfs/dbraw/zinc/21/63/39/386216339.db2.gz DQGVDMRAXZQENV-KWCYVHTRSA-N 2 0 246.354 1.530 20 0 BDADRP COc1ccc(CC[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000131767559 386221704 /nfs/dbraw/zinc/22/17/04/386221704.db2.gz UYKCOJDKZSGIMB-TZMCWYRMSA-N 2 0 248.370 1.907 20 0 BDADRP COc1ccc(CC[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000131767962 386222823 /nfs/dbraw/zinc/22/28/23/386222823.db2.gz UYKCOJDKZSGIMB-OCCSQVGLSA-N 2 0 248.370 1.907 20 0 BDADRP COCc1ccccc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000132182283 386226558 /nfs/dbraw/zinc/22/65/58/386226558.db2.gz YFIWDNQJJGAKCC-ZDUSSCGKSA-N 2 0 248.370 1.922 20 0 BDADRP Cc1nn(C)c2ncc(CN(C)[C@H](C)C[NH3+])cc12 ZINC000347046491 386228534 /nfs/dbraw/zinc/22/85/34/386228534.db2.gz OGSYCLROKDTTRN-SECBINFHSA-N 2 0 247.346 1.056 20 0 BDADRP COCC(C)(C)C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415001704 386231290 /nfs/dbraw/zinc/23/12/90/386231290.db2.gz LFCSATHGFCMPLS-VXGBXAGGSA-N 2 0 228.380 1.766 20 0 BDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCN1CCCCCC1 ZINC000343195058 386238635 /nfs/dbraw/zinc/23/86/35/386238635.db2.gz ZSBMVUMVIULPOX-KGLIPLIRSA-N 2 0 239.407 1.402 20 0 BDADRP CCN(C[C@@H]([NH3+])CC(C)C)[C@H]1CCC[NH2+]CC1 ZINC000414717306 386240744 /nfs/dbraw/zinc/24/07/44/386240744.db2.gz PPKCSPJQLLAESB-KBPBESRZSA-N 2 0 241.423 1.824 20 0 BDADRP c1[nH+]cn2cc(C[NH2+]CC3=CCCOC3)ccc12 ZINC000297397187 386250696 /nfs/dbraw/zinc/25/06/96/386250696.db2.gz BUVDZPFLKQIKAU-UHFFFAOYSA-N 2 0 243.310 1.771 20 0 BDADRP C[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)[NH+](C)C ZINC000353512492 386251846 /nfs/dbraw/zinc/25/18/46/386251846.db2.gz CXBKVGMKIJWWJR-AAVRWANBSA-N 2 0 239.407 1.399 20 0 BDADRP COc1cc(C)c(C[N@@H+]2CC[C@H](C[NH3+])C2)c(C)n1 ZINC000347190939 386254790 /nfs/dbraw/zinc/25/47/90/386254790.db2.gz FOZZZFAGUXRYDR-GFCCVEGCSA-N 2 0 249.358 1.488 20 0 BDADRP CCC1(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])COC1 ZINC000393959541 386257331 /nfs/dbraw/zinc/25/73/31/386257331.db2.gz BESVJSFVJQOXSD-RYUDHWBXSA-N 2 0 226.364 1.520 20 0 BDADRP CC[C@H]1C[C@H](C[NH+]2CCC([NH2+]C)CC2)CCO1 ZINC000347140056 386258719 /nfs/dbraw/zinc/25/87/19/386258719.db2.gz WAJCXGKJWXBESZ-OCCSQVGLSA-N 2 0 240.391 1.875 20 0 BDADRP COC(=O)C[N@H+](C[C@H]1CC[NH2+][C@H](C)C1)C(C)C ZINC000414694662 386194245 /nfs/dbraw/zinc/19/42/45/386194245.db2.gz DOJTWFYVKUVESY-NEPJUHHUSA-N 2 0 242.363 1.258 20 0 BDADRP Cc1ccc([C@H](CNC(N)=[NH2+])[NH+]2CCCC2)cc1 ZINC000263968080 386197619 /nfs/dbraw/zinc/19/76/19/386197619.db2.gz NAUYZDYBQVGVJL-ZDUSSCGKSA-N 2 0 246.358 1.615 20 0 BDADRP CSC[C@@H]1CCC[N@@H+]1CCc1cncn1C ZINC000297879980 386283779 /nfs/dbraw/zinc/28/37/79/386283779.db2.gz QGWKLKSNHPRIDY-LBPRGKRZSA-N 2 0 239.388 1.790 20 0 BDADRP C[C@H](CC[NH3+])[NH2+]C1Cc2ccccc2C1 ZINC000414900703 386285425 /nfs/dbraw/zinc/28/54/25/386285425.db2.gz WLWJFLCNCGFYDM-SNVBAGLBSA-N 2 0 204.317 1.481 20 0 BDADRP C[C@@H](O)CC[N@H+](C)CCCC1CC[NH2+]CC1 ZINC000647885958 386291887 /nfs/dbraw/zinc/29/18/87/386291887.db2.gz VKNNCDMRGBXQDK-GFCCVEGCSA-N 2 0 228.380 1.469 20 0 BDADRP CCc1ccc([C@H]2C[NH2+]CCN2CCC[NH3+])cc1 ZINC000414732905 386293099 /nfs/dbraw/zinc/29/30/99/386293099.db2.gz IYQZOMVDDYFXCH-OAHLLOKOSA-N 2 0 247.386 1.544 20 0 BDADRP [NH3+]C[C@H](NC[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000647988029 386294016 /nfs/dbraw/zinc/29/40/16/386294016.db2.gz HSZXIRZQNRPDDT-AAEUAGOBSA-N 2 0 225.380 1.093 20 0 BDADRP C[N@H+](C[C@@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000339194379 386294912 /nfs/dbraw/zinc/29/49/12/386294912.db2.gz SYIBYBOFLPGDDE-PIGZVRMJSA-N 2 0 238.375 1.722 20 0 BDADRP Fc1cncc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000415005674 386303693 /nfs/dbraw/zinc/30/36/93/386303693.db2.gz JKVWDSBENBQRCS-UONOGXRCSA-N 2 0 249.333 1.698 20 0 BDADRP C[NH+](C)[C@@H]1CCCN(CC[NH2+]C(C)(C)C)CC1 ZINC000414736904 386304839 /nfs/dbraw/zinc/30/48/39/386304839.db2.gz HYSVKHALSDLGKR-CYBMUJFWSA-N 2 0 241.423 1.791 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCOCC(F)F)CN1C1CC1 ZINC000190888765 386319857 /nfs/dbraw/zinc/31/98/57/386319857.db2.gz IQJJWUDMXPZRQV-VHSXEESVSA-N 2 0 248.317 1.483 20 0 BDADRP Cc1cccc2ncc(CN3CC[C@H](C[NH3+])C3)n21 ZINC000335262369 386323671 /nfs/dbraw/zinc/32/36/71/386323671.db2.gz ITUXZIWRFTUXJR-GFCCVEGCSA-N 2 0 244.342 1.423 20 0 BDADRP CC(C)(CO)CC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000331925657 386267775 /nfs/dbraw/zinc/26/77/75/386267775.db2.gz VPCRBJUDZBKWHD-NWDGAFQWSA-N 2 0 228.380 1.645 20 0 BDADRP C[C@@H]1CC[N@H+](CCc2cncn2C)[C@H]1C ZINC000297654876 386269199 /nfs/dbraw/zinc/26/91/99/386269199.db2.gz JCJKCWSQHLUDPK-MNOVXSKESA-N 2 0 207.321 1.693 20 0 BDADRP CC(C)COCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000336699669 386386523 /nfs/dbraw/zinc/38/65/23/386386523.db2.gz YKZIOCWDACFNGD-UHFFFAOYSA-N 2 0 242.407 1.933 20 0 BDADRP C[C@@H](Cn1cccn1)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414905089 386352778 /nfs/dbraw/zinc/35/27/78/386352778.db2.gz LDYPBXAAQLCJPO-STQMWFEESA-N 2 0 236.363 1.251 20 0 BDADRP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000414747814 386357165 /nfs/dbraw/zinc/35/71/65/386357165.db2.gz UXBGPWINTHLWGE-CYDGBPFRSA-N 2 0 226.364 1.063 20 0 BDADRP CC[C@]1(C)COCC[N@@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414748607 386361643 /nfs/dbraw/zinc/36/16/43/386361643.db2.gz WWCPMOMKRHWRFU-HZSPNIEDSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@]1(C)COCC[N@@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414748610 386362943 /nfs/dbraw/zinc/36/29/43/386362943.db2.gz WWCPMOMKRHWRFU-MELADBBJSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1ccc2ncc(C[NH2+]CCCC[NH3+])n2c1 ZINC000414905950 386367558 /nfs/dbraw/zinc/36/75/58/386367558.db2.gz OVBJZVDGMZGBKV-UHFFFAOYSA-N 2 0 232.331 1.471 20 0 BDADRP Cc1noc(CN2CCC(c3c[nH]cn3)CC2)n1 ZINC000336689910 386371708 /nfs/dbraw/zinc/37/17/08/386371708.db2.gz AQQSOOMQVQSDAA-UHFFFAOYSA-N 2 0 247.302 1.481 20 0 BDADRP C[C@@H](C(=O)Nc1cccc(C[NH+](C)C)c1)[C@H](C)[NH3+] ZINC000133949610 386381175 /nfs/dbraw/zinc/38/11/75/386381175.db2.gz ORMBNPHRGQLUEQ-MNOVXSKESA-N 2 0 249.358 1.670 20 0 BDADRP C[C@@H]([NH3+])[C@H](C)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000133948975 386382889 /nfs/dbraw/zinc/38/28/89/386382889.db2.gz ORMBNPHRGQLUEQ-WDEREUQCSA-N 2 0 249.358 1.670 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+](C)Cc2cc[nH]n2)CC[NH2+]1 ZINC000414740221 386330547 /nfs/dbraw/zinc/33/05/47/386330547.db2.gz KVCUMBPMKKRQIL-GHMZBOCLSA-N 2 0 222.336 1.230 20 0 BDADRP COc1cccc2c1CC[C@H]([NH2+][C@@H](C)CC[NH3+])C2 ZINC000414903371 386333160 /nfs/dbraw/zinc/33/31/60/386333160.db2.gz ZNSJHZJWIXPIIA-AAEUAGOBSA-N 2 0 248.370 1.879 20 0 BDADRP C[C@@H](C[NH2+][C@@H](C)CC[NH3+])CC1CCOCC1 ZINC000414902981 386336374 /nfs/dbraw/zinc/33/63/74/386336374.db2.gz ZCPFBVKFSNVCKN-NEPJUHHUSA-N 2 0 228.380 1.766 20 0 BDADRP Cn1cc(C[NH+]2CCC(C[NH+](C)C)CC2)cn1 ZINC000336681471 386337265 /nfs/dbraw/zinc/33/72/65/386337265.db2.gz CUVJOULHOQTYBU-UHFFFAOYSA-N 2 0 236.363 1.194 20 0 BDADRP C[C@H]1C[C@@H](C[N@H+](CCO)C2CCC2)CC[NH2+]1 ZINC000414744093 386337777 /nfs/dbraw/zinc/33/77/77/386337777.db2.gz HUMQKHLKXXMORA-RYUDHWBXSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC[NH2+]C1)[C@@H]1CCCOC1 ZINC000647992187 386440686 /nfs/dbraw/zinc/44/06/86/386440686.db2.gz PANSEICPCUHBEN-QJPTWQEYSA-N 2 0 212.337 1.001 20 0 BDADRP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H]1CCOC1 ZINC000336718825 386441406 /nfs/dbraw/zinc/44/14/06/386441406.db2.gz XIGIDLCRUHVMAK-KGLIPLIRSA-N 2 0 240.391 1.829 20 0 BDADRP C[N@H+](CC1CC[NH+](C)CC1)C[C@H]1CCCOC1 ZINC000336716635 386448037 /nfs/dbraw/zinc/44/80/37/386448037.db2.gz VYFDCXGJIUMARD-CQSZACIVSA-N 2 0 240.391 1.687 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+]CC2)CCO1 ZINC000414907940 386388482 /nfs/dbraw/zinc/38/84/82/386388482.db2.gz CBSTZZAREYVBND-MJBXVCDLSA-N 2 0 240.391 1.922 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000336700356 386400331 /nfs/dbraw/zinc/40/03/31/386400331.db2.gz KTHQPJHZLJXTFS-STQMWFEESA-N 2 0 226.364 1.297 20 0 BDADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)C(C)C)C1 ZINC000336700640 386402159 /nfs/dbraw/zinc/40/21/59/386402159.db2.gz KNJOMLOCDKGBTK-KBPBESRZSA-N 2 0 242.407 1.667 20 0 BDADRP COC[C@@H]1CCCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647991144 386408991 /nfs/dbraw/zinc/40/89/91/386408991.db2.gz CFVMPPRQQIUDNI-QWHCGFSZSA-N 2 0 226.364 1.344 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@@H](C)Cn1cccn1 ZINC000093464852 386416387 /nfs/dbraw/zinc/41/63/87/386416387.db2.gz GOVOFHIXUSQHOE-FRRDWIJNSA-N 2 0 236.363 1.392 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H](C)Cn1cccn1 ZINC000093464850 386416475 /nfs/dbraw/zinc/41/64/75/386416475.db2.gz GOVOFHIXUSQHOE-AGIUHOORSA-N 2 0 236.363 1.392 20 0 BDADRP CCCC[N@H+](C)CC1CCN(C[C@@H](C)[NH3+])CC1 ZINC000442664630 386420031 /nfs/dbraw/zinc/42/00/31/386420031.db2.gz MUIMLSHWNUMGIM-CYBMUJFWSA-N 2 0 241.423 1.778 20 0 BDADRP CC(C)[C@@H]([NH3+])CNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000347512057 386427284 /nfs/dbraw/zinc/42/72/84/386427284.db2.gz JEURODHWZFQDEC-ZDUSSCGKSA-N 2 0 247.342 1.003 20 0 BDADRP C[C@H](O)CCC[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000336713961 386428870 /nfs/dbraw/zinc/42/88/70/386428870.db2.gz ORNFYMYQGXVRNX-ZDUSSCGKSA-N 2 0 242.407 1.811 20 0 BDADRP C[C@@H](O)CCC[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000336713960 386430292 /nfs/dbraw/zinc/43/02/92/386430292.db2.gz ORNFYMYQGXVRNX-CYBMUJFWSA-N 2 0 242.407 1.811 20 0 BDADRP C[C@H](CCCO)[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353528146 386471173 /nfs/dbraw/zinc/47/11/73/386471173.db2.gz NKWPJCSRBQYUNP-XJFOESAGSA-N 2 0 240.391 1.610 20 0 BDADRP C([C@H]1CCCOC1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000414775050 386471795 /nfs/dbraw/zinc/47/17/95/386471795.db2.gz GBMCZXVDDHUPMH-FRRDWIJNSA-N 2 0 224.348 1.097 20 0 BDADRP [NH3+]CC1(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000414775034 386473588 /nfs/dbraw/zinc/47/35/88/386473588.db2.gz GBARUHLFJMYRAF-CHWSQXEVSA-N 2 0 237.391 1.047 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+]Cc2cc[nH]c2)CC1 ZINC000227327018 386476195 /nfs/dbraw/zinc/47/61/95/386476195.db2.gz ZHWBABLIDCIPOG-UHFFFAOYSA-N 2 0 221.348 1.836 20 0 BDADRP CC[C@H]1C[N@H+](CCC2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000647934503 386476654 /nfs/dbraw/zinc/47/66/54/386476654.db2.gz HKURNNKAVCNNPO-KBPBESRZSA-N 3 0 239.407 1.435 20 0 BDADRP CCCC[C@@H](CC)[NH2+]CCCN1CC[NH2+]CC1 ZINC000414780155 386491442 /nfs/dbraw/zinc/49/14/42/386491442.db2.gz KQJQOSZUACZEOX-CQSZACIVSA-N 2 0 241.423 1.840 20 0 BDADRP COC[C@H](CC(C)C)[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000415013145 386495004 /nfs/dbraw/zinc/49/50/04/386495004.db2.gz KIXUXOWJIALDGE-AXFHLTTASA-N 2 0 202.342 1.373 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000519596369 386498527 /nfs/dbraw/zinc/49/85/27/386498527.db2.gz OTINJBCCHAZHRC-UPJWGTAASA-N 3 0 225.380 1.236 20 0 BDADRP Cc1ccc2ncc(C[NH2+][C@H](C)CCC[NH3+])n2c1 ZINC000415016817 386502671 /nfs/dbraw/zinc/50/26/71/386502671.db2.gz DDANFVRVFGLIRK-GFCCVEGCSA-N 3 0 246.358 1.860 20 0 BDADRP C[C@@H](CCC1CC1)[NH2+]CCCN1CC[NH2+]CC1 ZINC000414782125 386503557 /nfs/dbraw/zinc/50/35/57/386503557.db2.gz OLUCKAAIKKKQDB-ZDUSSCGKSA-N 2 0 239.407 1.450 20 0 BDADRP CC[C@@H]1CCC[C@H]1[NH2+]C[C@](C)(O)C[NH2+]C ZINC000519609610 386505076 /nfs/dbraw/zinc/50/50/76/386505076.db2.gz WSQMMJLPVIXTRI-IJLUTSLNSA-N 2 0 214.353 1.125 20 0 BDADRP COCCC(C)(C)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400464801 533176850 /nfs/dbraw/zinc/17/68/50/533176850.db2.gz SOWLHAAOAFMIIO-RYUDHWBXSA-N 2 0 228.380 1.779 20 0 BDADRP C[C@H]([NH3+])c1ccc(C(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000335444942 386508578 /nfs/dbraw/zinc/50/85/78/386508578.db2.gz MJGOZGAZWJEFPS-GXFFZTMASA-N 2 0 247.342 1.270 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+][C@H](C)[C@H](C)[NH3+])CCO1 ZINC000415020225 386509049 /nfs/dbraw/zinc/50/90/49/386509049.db2.gz SPUJMNNYMXTCJM-IRCOFANPSA-N 2 0 214.353 1.517 20 0 BDADRP C1CC1[C@H]1CCC[C@@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415020005 386509061 /nfs/dbraw/zinc/50/90/61/386509061.db2.gz AOLSAFFQULOVMP-BNDIWNMDSA-N 2 0 206.333 1.373 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN[C@@H](C[NH3+])C(C)(C)C ZINC000415052094 386509697 /nfs/dbraw/zinc/50/96/97/386509697.db2.gz HIUPZISPXWXUTH-MNOVXSKESA-N 2 0 215.385 1.323 20 0 BDADRP CCC1(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)COC1 ZINC000393975174 386513401 /nfs/dbraw/zinc/51/34/01/386513401.db2.gz UUFSJPGMLCTNLH-JHJVBQTASA-N 2 0 240.391 1.731 20 0 BDADRP CC(C)([NH3+])CN1CC[C@@H](c2cccnc2)C1 ZINC000335447698 386513663 /nfs/dbraw/zinc/51/36/63/386513663.db2.gz ICLNJCJHXRNESZ-GFCCVEGCSA-N 2 0 219.332 1.608 20 0 BDADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]C[C@H]2CCCOC2)CC1 ZINC000415025226 386514211 /nfs/dbraw/zinc/51/42/11/386514211.db2.gz PHXNBQWOACFFFX-MGPQQGTHSA-N 2 0 240.391 1.768 20 0 BDADRP Cc1c[nH]nc1CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000335447245 386515173 /nfs/dbraw/zinc/51/51/73/386515173.db2.gz BDAFPVUIDLVZBS-FOSCPWQOSA-N 2 0 234.347 1.433 20 0 BDADRP Cc1ccc(O)c(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)n1 ZINC000415028048 386515948 /nfs/dbraw/zinc/51/59/48/386515948.db2.gz BYBSCXHWPJXKLS-QWRGUYRKSA-N 2 0 235.331 1.313 20 0 BDADRP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415029787 386516008 /nfs/dbraw/zinc/51/60/08/386516008.db2.gz BOLVPACZDKSPKO-AGIUHOORSA-N 2 0 226.364 1.533 20 0 BDADRP Cc1nc(C)c(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)s1 ZINC000415028722 386516189 /nfs/dbraw/zinc/51/61/89/386516189.db2.gz DEDZKEJVPCZNQH-QWRGUYRKSA-N 2 0 239.388 1.977 20 0 BDADRP CCn1nc(C)c(C[NH2+][C@@H](C)CCC[NH3+])c1C ZINC000415026342 386516518 /nfs/dbraw/zinc/51/65/18/386516518.db2.gz TUVHJDSFCSEFNB-JTQLQIEISA-N 2 0 238.379 1.737 20 0 BDADRP COC(=O)C(C)(C)CC[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415029580 386516529 /nfs/dbraw/zinc/51/65/29/386516529.db2.gz DXLPANPHLITPAP-QWRGUYRKSA-N 2 0 242.363 1.293 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]Cc1cnc(N(C)C)s1 ZINC000415028300 386516574 /nfs/dbraw/zinc/51/65/74/386516574.db2.gz YMKIFIAAYQRKMM-SECBINFHSA-N 2 0 242.392 1.426 20 0 BDADRP C[C@@H](CCC1CC1)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415029358 386516664 /nfs/dbraw/zinc/51/66/64/386516664.db2.gz AVCCEUWBIOPDPO-WCQYABFASA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000415027108 386516823 /nfs/dbraw/zinc/51/68/23/386516823.db2.gz WBSHMJKTEXKXRJ-KKOKHZNYSA-N 2 0 226.364 1.517 20 0 BDADRP CCOc1cccc(C[NH2+][C@H](C)CCC[NH3+])n1 ZINC000415027368 386517321 /nfs/dbraw/zinc/51/73/21/386517321.db2.gz WNAUILATVVWTTB-LLVKDONJSA-N 2 0 237.347 1.697 20 0 BDADRP CC(C)C[C@H](C)C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415030195 386518607 /nfs/dbraw/zinc/51/86/07/386518607.db2.gz CFOKNZQYXQERHU-QWHCGFSZSA-N 2 0 228.380 1.637 20 0 BDADRP COc1cc(C)nc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000415030720 386518788 /nfs/dbraw/zinc/51/87/88/386518788.db2.gz FYSGOMBXFJGSOP-VXGBXAGGSA-N 2 0 249.358 1.616 20 0 BDADRP C[C@@H](CC[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1 ZINC000415042818 386530244 /nfs/dbraw/zinc/53/02/44/386530244.db2.gz SWBJRWJOIFHLFT-SPWCGHHHSA-N 2 0 230.355 1.988 20 0 BDADRP Cc1ccncc1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000135500317 386519634 /nfs/dbraw/zinc/51/96/34/386519634.db2.gz LEDYLPMGEMEOQK-CHWSQXEVSA-N 2 0 233.359 1.949 20 0 BDADRP CCOC[C@H](C)[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415036582 386523721 /nfs/dbraw/zinc/52/37/21/386523721.db2.gz LOYRTMSWCPXHEA-HBNTYKKESA-N 2 0 200.326 1.128 20 0 BDADRP Cc1ccc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)nc1 ZINC000415040240 386527530 /nfs/dbraw/zinc/52/75/30/386527530.db2.gz OTBDYZHTJXAIRG-RYUDHWBXSA-N 2 0 219.332 1.607 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCC(C)(C)O2)C1 ZINC000336725939 386461819 /nfs/dbraw/zinc/46/18/19/386461819.db2.gz RRRNVPLGXLRUAC-STQMWFEESA-N 2 0 240.391 1.828 20 0 BDADRP CC[N@H+](CC[C@H]1CC[NH2+]C1)Cc1ccccn1 ZINC000094918438 386463439 /nfs/dbraw/zinc/46/34/39/386463439.db2.gz YYEBZOCJHYUWSS-CYBMUJFWSA-N 2 0 233.359 1.903 20 0 BDADRP C([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@H]1CCCOC1 ZINC000415010413 386464136 /nfs/dbraw/zinc/46/41/36/386464136.db2.gz PBFJTFJMZFAZKN-KWCYVHTRSA-N 2 0 238.375 1.391 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+][C@H](C)Cn1cccn1 ZINC000415079873 386583873 /nfs/dbraw/zinc/58/38/73/386583873.db2.gz IJSCXISYTRGHDM-NEPJUHHUSA-N 2 0 224.352 1.235 20 0 BDADRP C[C@@H](Cn1cccn1)[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415077474 386585516 /nfs/dbraw/zinc/58/55/16/386585516.db2.gz FGIJORGUXBODJI-FRRDWIJNSA-N 2 0 236.363 1.249 20 0 BDADRP CC(C)([NH3+])CNCC[NH2+]C1CCCCCC1 ZINC000414800839 386586091 /nfs/dbraw/zinc/58/60/91/386586091.db2.gz GBPFUXIBZZBKNO-UHFFFAOYSA-N 2 0 227.396 1.626 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)N[C@@H]1CCCC[NH2+]C1 ZINC000415080124 386587611 /nfs/dbraw/zinc/58/76/11/386587611.db2.gz YCHZDMZXERDAEG-JHJVBQTASA-N 2 0 225.380 1.249 20 0 BDADRP CN(C)c1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cn1 ZINC000414917465 386531557 /nfs/dbraw/zinc/53/15/57/386531557.db2.gz QQMFRSCMUVWVCN-CYBMUJFWSA-N 2 0 248.374 1.379 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H]2CCC[C@H]2[NH3+])CC1 ZINC000519698020 386531928 /nfs/dbraw/zinc/53/19/28/386531928.db2.gz AHOUYIMUKVHDDQ-OLZOCXBDSA-N 3 0 225.380 1.188 20 0 BDADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCSC2)C1 ZINC000415045983 386532579 /nfs/dbraw/zinc/53/25/79/386532579.db2.gz UTMUJQMSGOZNFA-OUAUKWLOSA-N 2 0 214.378 1.599 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCCC1CCOCC1 ZINC000414790883 386536060 /nfs/dbraw/zinc/53/60/60/386536060.db2.gz AOYYUEJLCXEXPC-KBPBESRZSA-N 2 0 240.391 1.910 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCCC1CC[NH2+]CC1 ZINC000647995422 386539014 /nfs/dbraw/zinc/53/90/14/386539014.db2.gz WJXHLFIMSYDQMT-ZIAGYGMSSA-N 3 0 239.407 1.626 20 0 BDADRP C[C@@H](CC1CCOCC1)[NH2+]CCC[NH2+]C1CC1 ZINC000415064441 386543873 /nfs/dbraw/zinc/54/38/73/386543873.db2.gz CNWRFICZGNEGBQ-LBPRGKRZSA-N 2 0 240.391 1.923 20 0 BDADRP COC[C@H](CC(C)C)[NH2+]C[C@@H]([NH3+])C(C)C ZINC000414794811 386559805 /nfs/dbraw/zinc/55/98/05/386559805.db2.gz MFNBCYFWRHXQHJ-NWDGAFQWSA-N 2 0 216.369 1.620 20 0 BDADRP CCc1ccccc1[C@@H]([NH3+])CNCC(C)(C)[NH3+] ZINC000415073022 386560957 /nfs/dbraw/zinc/56/09/57/386560957.db2.gz YTTAWYJJJIELGE-ZDUSSCGKSA-N 2 0 235.375 1.576 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+]C[C@]2(C)CCC[NH2+]C2)CC[NH2+]1 ZINC000414919826 386564125 /nfs/dbraw/zinc/56/41/25/386564125.db2.gz XWYZNRUVJIDVKW-MGPQQGTHSA-N 3 0 239.407 1.354 20 0 BDADRP CC(C)[C@@H](C(=O)NCCCC[NH+](C)C)[C@H](C)[NH3+] ZINC000399449207 386565972 /nfs/dbraw/zinc/56/59/72/386565972.db2.gz ODNPOCSKNVYHNE-NWDGAFQWSA-N 2 0 243.395 1.064 20 0 BDADRP COC1CCC([NH2+]CCC[NH2+]C2CC2)CC1 ZINC000415072905 386566444 /nfs/dbraw/zinc/56/64/44/386566444.db2.gz XHHGSEJJNZYQDZ-UHFFFAOYSA-N 2 0 226.364 1.676 20 0 BDADRP C[C@@]1(C[NH2+]CCc2ccc(F)cc2)CC[NH2+]C1 ZINC000415075236 386569059 /nfs/dbraw/zinc/56/90/59/386569059.db2.gz BGWOLBRTNAWTNY-AWEZNQCLSA-N 2 0 236.334 1.957 20 0 BDADRP CC[C@H]([NH2+]CC1CC[NH2+]CC1)[C@H]1CCCO1 ZINC000415074018 386572253 /nfs/dbraw/zinc/57/22/53/386572253.db2.gz BSICYUXLKATEKH-QWHCGFSZSA-N 2 0 226.364 1.533 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CCCC[C@H]1C1CCC1 ZINC000647997651 386619161 /nfs/dbraw/zinc/61/91/61/386619161.db2.gz WSRLXSJVTACOQJ-ZDUSSCGKSA-N 2 0 226.364 1.616 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[N@H+](CC1CCC1)[C@H](C)CO ZINC000415110837 386620721 /nfs/dbraw/zinc/62/07/21/386620721.db2.gz SXPCFTFCQJBNTO-TZMCWYRMSA-N 2 0 242.407 1.843 20 0 BDADRP C[C@H](C[NH2+]Cc1ccccc1)C[NH+](C)C ZINC000291785628 386623800 /nfs/dbraw/zinc/62/38/00/386623800.db2.gz VLPNPTUJGYZFKF-GFCCVEGCSA-N 2 0 206.333 1.974 20 0 BDADRP Cc1nn(C)cc1[C@H](C)NC[C@H]([NH3+])CC(C)C ZINC000415106158 386626063 /nfs/dbraw/zinc/62/60/63/386626063.db2.gz MRXLRLYRGNZNOV-CMPLNLGQSA-N 2 0 238.379 1.753 20 0 BDADRP CCC([NH3+])(CC)CNC[C@H]([NH3+])CC(C)C ZINC000414813740 386635931 /nfs/dbraw/zinc/63/59/31/386635931.db2.gz ULQKWFBYDHHEPE-LLVKDONJSA-N 3 0 215.385 1.467 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647906698 386638202 /nfs/dbraw/zinc/63/82/02/386638202.db2.gz MEWQTUUOAKIXCU-OCCSQVGLSA-N 3 0 239.407 1.435 20 0 BDADRP C[C@H]([NH3+])c1ccc(CN[C@H]2CCC[NH2+]C2)cc1 ZINC000414812101 386639937 /nfs/dbraw/zinc/63/99/37/386639937.db2.gz KISOTQKLGNTCFN-FZMZJTMJSA-N 2 0 233.359 1.548 20 0 BDADRP Cc1cn[nH]c1C[NH2+]CCCC[NH+](C)C ZINC000336758831 386641236 /nfs/dbraw/zinc/64/12/36/386641236.db2.gz KATUICAONIQDQQ-UHFFFAOYSA-N 2 0 210.325 1.150 20 0 BDADRP CC[C@@H](COC)[NH2+]CC([NH3+])(CC)CC ZINC000414812744 386642205 /nfs/dbraw/zinc/64/22/05/386642205.db2.gz RQSPWIFQHYCMNA-JTQLQIEISA-N 2 0 202.342 1.519 20 0 BDADRP COCC(C)(C)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000426051964 386646076 /nfs/dbraw/zinc/64/60/76/386646076.db2.gz WAVJLXXVODWFRH-UHFFFAOYSA-N 2 0 242.407 1.933 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000414814925 386649112 /nfs/dbraw/zinc/64/91/12/386649112.db2.gz ZODVFCOJFHUBRP-HHTDUIENSA-N 3 0 239.407 1.611 20 0 BDADRP CCc1nn(C)c(CC)c1CNCC(C)(C)[NH3+] ZINC000414803657 386600471 /nfs/dbraw/zinc/60/04/71/386600471.db2.gz MHWAHINOGYVKCQ-UHFFFAOYSA-N 2 0 238.379 1.372 20 0 BDADRP Cc1ccc(CNC[C@](C)(O)C[NH+](C)C)cc1 ZINC000228722659 386604528 /nfs/dbraw/zinc/60/45/28/386604528.db2.gz UGJAGLAQHUBJKV-AWEZNQCLSA-N 2 0 236.359 1.397 20 0 BDADRP CC[NH+](CC)CCC[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415096301 386614202 /nfs/dbraw/zinc/61/42/02/386614202.db2.gz AXUBQLVYWDWDQQ-UONOGXRCSA-N 3 0 241.423 1.696 20 0 BDADRP C[C@H]1CC[C@@H](C[NH2+]C2CCC(C[NH3+])CC2)O1 ZINC000415096236 386614334 /nfs/dbraw/zinc/61/43/34/386614334.db2.gz PNBBXAUGGAABOQ-WTIISPKJSA-N 2 0 226.364 1.661 20 0 BDADRP CCCC[NH+]1CCC(NC(=O)C(C)(C)[NH3+])CC1 ZINC000040921217 386660500 /nfs/dbraw/zinc/66/05/00/386660500.db2.gz KFXBHLRRTCPEPR-UHFFFAOYSA-N 2 0 241.379 1.104 20 0 BDADRP C[NH+](C)CCCCNC(=O)C1([NH3+])CCCCC1 ZINC000041679565 386673052 /nfs/dbraw/zinc/67/30/52/386673052.db2.gz VAHOIDLPPLLUSP-UHFFFAOYSA-N 2 0 241.379 1.106 20 0 BDADRP C[NH+](C)CCCCNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000041679566 386673302 /nfs/dbraw/zinc/67/33/02/386673302.db2.gz RZRCAJZGQJMNPK-CYBMUJFWSA-N 2 0 249.358 1.144 20 0 BDADRP C[C@H]1c2ccccc2CC[N@H+]1CCOCC[NH3+] ZINC000357073509 386710698 /nfs/dbraw/zinc/71/06/98/386710698.db2.gz LWDHNKLEYVMJQP-LBPRGKRZSA-N 2 0 234.343 1.581 20 0 BDADRP Cc1ccncc1C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414827772 386694215 /nfs/dbraw/zinc/69/42/15/386694215.db2.gz YJIXYCOIBREHLK-OLZOCXBDSA-N 2 0 233.359 1.868 20 0 BDADRP CC1(C)[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)[C@H]2CCO[C@@H]21 ZINC000414927329 386697613 /nfs/dbraw/zinc/69/76/13/386697613.db2.gz PAGSUEFCBCFNNR-CLPYTZEMSA-N 2 0 238.375 1.659 20 0 BDADRP c1cnn(CC[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000357068145 386707039 /nfs/dbraw/zinc/70/70/39/386707039.db2.gz DIURBRNFXUNANS-AWEZNQCLSA-N 2 0 248.374 1.205 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(C)c(OC)c1 ZINC000414829957 386707994 /nfs/dbraw/zinc/70/79/94/386707994.db2.gz ADXBVGPGLROAHJ-NSHDSACASA-N 2 0 236.359 1.949 20 0 BDADRP CC(C)[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1CC1 ZINC000647960641 386730593 /nfs/dbraw/zinc/73/05/93/386730593.db2.gz BCOQDJHFEUXQTE-CYBMUJFWSA-N 2 0 228.380 1.560 20 0 BDADRP CC(C)C[C@@H](C[NH3+])NCc1ccn(C(F)F)n1 ZINC000414836751 386732211 /nfs/dbraw/zinc/73/22/11/386732211.db2.gz JBGCXXRYWRFGIN-JTQLQIEISA-N 2 0 246.305 1.741 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1NCc1ccc2c[nH+]cn2c1 ZINC000335536323 386739064 /nfs/dbraw/zinc/73/90/64/386739064.db2.gz PUNJJDNJWYFCFS-BXUZGUMPSA-N 2 0 244.342 1.422 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](COC)CC(C)C ZINC000414832192 386716912 /nfs/dbraw/zinc/71/69/12/386716912.db2.gz FBGKZDQGGLUPEO-NWDGAFQWSA-N 2 0 216.369 1.493 20 0 BDADRP c1cnn([C@@H]2CCCC[C@H]2[NH2+]C2CC[NH2+]CC2)c1 ZINC000335541664 386722244 /nfs/dbraw/zinc/72/22/44/386722244.db2.gz DRHMKCWRGCAQIP-ZIAGYGMSSA-N 2 0 248.374 1.708 20 0 BDADRP C(C[C@H]1CC[NH2+]C1)[NH2+][C@H]1CCCSC1 ZINC000414839904 386746830 /nfs/dbraw/zinc/74/68/30/386746830.db2.gz WSVXAEDALXAXPK-MNOVXSKESA-N 2 0 214.378 1.471 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCCSC1 ZINC000414840812 386752745 /nfs/dbraw/zinc/75/27/45/386752745.db2.gz NMNPIMOBNFTWSD-UWVGGRQHSA-N 2 0 202.367 1.327 20 0 BDADRP C[C@@H](CCn1cccn1)[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000353541357 386757633 /nfs/dbraw/zinc/75/76/33/386757633.db2.gz JNRHRMKDFAQYAU-QWHCGFSZSA-N 2 0 248.374 1.488 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647784485 386758270 /nfs/dbraw/zinc/75/82/70/386758270.db2.gz WJCCHWJFJZQDBH-ODXJTPSBSA-N 2 0 240.391 1.371 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCN(C2CC2)C1 ZINC000336665438 386767333 /nfs/dbraw/zinc/76/73/33/386767333.db2.gz PNFYAXDPODCSGB-RYUDHWBXSA-N 2 0 225.380 1.330 20 0 BDADRP C[NH2+]C[C@H](C)CNC1CC[NH+](C(C)C)CC1 ZINC000414839194 386741612 /nfs/dbraw/zinc/74/16/12/386741612.db2.gz LXXHDRHENUONLQ-LBPRGKRZSA-N 3 0 227.396 1.304 20 0 BDADRP Cc1n[nH]cc1CNCC1([NH3+])CCCCC1 ZINC000414839277 386743158 /nfs/dbraw/zinc/74/31/58/386743158.db2.gz JGFAUXMZXBXPJB-UHFFFAOYSA-N 2 0 222.336 1.469 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000417834254 386794276 /nfs/dbraw/zinc/79/42/76/386794276.db2.gz MRFYRHNFFYQUJY-NWDGAFQWSA-N 2 0 241.379 1.138 20 0 BDADRP CC(C)([NH3+])CCC(=O)Nc1ccc(C[NH3+])cc1 ZINC000648110753 386794825 /nfs/dbraw/zinc/79/48/25/386794825.db2.gz MHISQFLMQJFRST-UHFFFAOYSA-N 2 0 235.331 1.601 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CCOC[C@H]1C)C[NH+]1CCCC1 ZINC000192485068 386773978 /nfs/dbraw/zinc/77/39/78/386773978.db2.gz OEQSFOGLELNCJZ-MGPQQGTHSA-N 2 0 240.391 1.733 20 0 BDADRP C[NH+](C)C1(CNC2CC[NH+](C)CC2)CCC1 ZINC000165147783 386775019 /nfs/dbraw/zinc/77/50/19/386775019.db2.gz PUIQVHKRAKFMMF-UHFFFAOYSA-N 2 0 225.380 1.155 20 0 BDADRP C[NH+]1CCC2(CC1)C[N@H+](CC1(C)CC1)CCO2 ZINC000648071973 386786912 /nfs/dbraw/zinc/78/69/12/386786912.db2.gz DWSQQHAHVKLJJU-UHFFFAOYSA-N 2 0 238.375 1.583 20 0 BDADRP CC(C)[C@](C)(CO)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000336667548 386788472 /nfs/dbraw/zinc/78/84/72/386788472.db2.gz MGKHNVYJFNDRBA-OLZOCXBDSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414846626 386817948 /nfs/dbraw/zinc/81/79/48/386817948.db2.gz UPTWYSLZRGNFRA-SRVKXCTJSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000398387939 386819067 /nfs/dbraw/zinc/81/90/67/386819067.db2.gz PRONCKDEUFUWFF-UPJWGTAASA-N 2 0 228.380 1.645 20 0 BDADRP CC(C)C[C@@H]([NH3+])CNC[C@@H]1[NH2+]CCCC1(C)C ZINC000414934832 386800742 /nfs/dbraw/zinc/80/07/42/386800742.db2.gz VMQLSOQWUUFGQJ-OLZOCXBDSA-N 2 0 241.423 1.728 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC2(O)CCC2)CC[N@@H+]1C ZINC000336744212 386804384 /nfs/dbraw/zinc/80/43/84/386804384.db2.gz PWHDNNYLCZOWDE-VXGBXAGGSA-N 2 0 226.364 1.364 20 0 BDADRP CC(C)C[C@H](C[NH2+][C@@H](C)CCC[NH3+])N(C)C ZINC000336670241 386804265 /nfs/dbraw/zinc/80/42/65/386804265.db2.gz RQTRKBBSZVWRTF-QWHCGFSZSA-N 2 0 229.412 1.680 20 0 BDADRP C[C@@H]1COCC[C@H]1[NH2+]CCC1CC[NH+](C)CC1 ZINC000192551429 386830664 /nfs/dbraw/zinc/83/06/64/386830664.db2.gz JBAFFTDCISOOQX-TZMCWYRMSA-N 2 0 240.391 1.733 20 0 BDADRP CCn1cc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000414936195 386835006 /nfs/dbraw/zinc/83/50/06/386835006.db2.gz ZCFSGXFWLGOADL-VXGBXAGGSA-N 2 0 222.336 1.263 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000398540967 386840722 /nfs/dbraw/zinc/84/07/22/386840722.db2.gz GWEITBAOOJHTQX-TUAOUCFPSA-N 2 0 214.353 1.397 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCCC[NH+](C)C)[C@@H](C)O1 ZINC000395077007 386844829 /nfs/dbraw/zinc/84/48/29/386844829.db2.gz UKBGYVYPIYUVGQ-UTUOFQBUSA-N 2 0 214.353 1.484 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000331424918 386851552 /nfs/dbraw/zinc/85/15/52/386851552.db2.gz ICLFHIRCCBACRT-RVMXOQNASA-N 2 0 226.364 1.397 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+]CC(C)(C)COC ZINC000414938639 386854777 /nfs/dbraw/zinc/85/47/77/386854777.db2.gz DEBMMRIAFLARQN-SNVBAGLBSA-N 2 0 202.342 1.247 20 0 BDADRP C[C@@H]1NCCC[C@@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000334833051 386870536 /nfs/dbraw/zinc/87/05/36/386870536.db2.gz MIAWHRAPTPDJAD-WTIISPKJSA-N 2 0 225.380 1.234 20 0 BDADRP C[C@H]1OCC[C@@H]1[NH2+]CC1([NH3+])CCCCCC1 ZINC000334835858 386876347 /nfs/dbraw/zinc/87/63/47/386876347.db2.gz BIMKXCBROKKOOR-NEPJUHHUSA-N 2 0 226.364 1.805 20 0 BDADRP C[C@H]1[C@@H]([NH3+])CCN1Cc1ccc2c(c1)ncn2C ZINC000334842083 386886775 /nfs/dbraw/zinc/88/67/75/386886775.db2.gz JZUVXCKIBFKSLR-JQWIXIFHSA-N 2 0 244.342 1.495 20 0 BDADRP C[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000335759063 386888256 /nfs/dbraw/zinc/88/82/56/386888256.db2.gz UOSNEHHBHCYMAP-DGCLKSJQSA-N 3 0 225.380 1.045 20 0 BDADRP CC1(C)CCC[NH2+][C@H]1CN[C@@H]1CCC[NH2+]C1 ZINC000334861351 386915985 /nfs/dbraw/zinc/91/59/85/386915985.db2.gz BFGPSHWTCOMRJI-NEPJUHHUSA-N 2 0 225.380 1.106 20 0 BDADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CC2CC2)CC1 ZINC000334862411 386918281 /nfs/dbraw/zinc/91/82/81/386918281.db2.gz LIFSRUGECYZXTE-UONOGXRCSA-N 2 0 238.375 1.615 20 0 BDADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCC(C)(C)[NH3+] ZINC000331867378 386919203 /nfs/dbraw/zinc/91/92/03/386919203.db2.gz AZEKNRXMKCLAMZ-RYUDHWBXSA-N 2 0 227.396 1.624 20 0 BDADRP CC[C@@H]1C[C@@H](C[N@@H+]2CCC[NH2+]CC2)CCO1 ZINC000334850921 386900414 /nfs/dbraw/zinc/90/04/14/386900414.db2.gz AXJXGSWNDHPIAN-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP Cc1cccn2c(CN[C@H]3CCC[NH2+]C3)cnc12 ZINC000334850830 386900819 /nfs/dbraw/zinc/90/08/19/386900819.db2.gz VRWFMPBIYORNGH-LBPRGKRZSA-N 2 0 244.342 1.484 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)c1cc[nH]c(=O)c1 ZINC000340443080 386901474 /nfs/dbraw/zinc/90/14/74/386901474.db2.gz CQQAJEOZQBEDKU-GMXVVIOVSA-N 2 0 249.358 1.921 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CSC2(C)C)CCN1C ZINC000336745203 386906493 /nfs/dbraw/zinc/90/64/93/386906493.db2.gz BBUXSSAPENWRQY-GMTAPVOTSA-N 2 0 228.405 1.953 20 0 BDADRP C[NH+]1CCC(NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000334865300 386921801 /nfs/dbraw/zinc/92/18/01/386921801.db2.gz SAAWGVYRUVGGQG-CYBMUJFWSA-N 2 0 239.407 1.448 20 0 BDADRP C[NH+](C)[C@H]1CCC[N@H+](C[C@H]2CCCCO2)CC1 ZINC000335774928 386924183 /nfs/dbraw/zinc/92/41/83/386924183.db2.gz YPDDULWIRHSRQU-UONOGXRCSA-N 2 0 240.391 1.972 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCc2cccnc2)C1 ZINC000161708872 386928156 /nfs/dbraw/zinc/92/81/56/386928156.db2.gz JVPXDOPBNYMPKD-AAEUAGOBSA-N 2 0 219.332 1.293 20 0 BDADRP CC1(C)CCC[C@@H]1[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000334874441 386934485 /nfs/dbraw/zinc/93/44/85/386934485.db2.gz MJSIMJRSBRFZDX-NEPJUHHUSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@]1(CN[C@@H]2CCC[NH2+]CC2)CCC[NH2+]C1 ZINC000334873134 386934819 /nfs/dbraw/zinc/93/48/19/386934819.db2.gz HIOFYIXMNPSIGO-CHWSQXEVSA-N 2 0 225.380 1.108 20 0 BDADRP CC1(C)CCC([NH2+]C[C@@H]2C[NH2+]CCCO2)CC1 ZINC000334873992 386935535 /nfs/dbraw/zinc/93/55/35/386935535.db2.gz MINWVGIUSHPSDK-ZDUSSCGKSA-N 2 0 240.391 1.923 20 0 BDADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2COC(C)(C)C2)C1 ZINC000417886015 386935919 /nfs/dbraw/zinc/93/59/19/386935919.db2.gz VKNLISGVEGAXJN-STQMWFEESA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000331985777 386936137 /nfs/dbraw/zinc/93/61/37/386936137.db2.gz NAZUEPXCLLUQCB-IJLUTSLNSA-N 3 0 213.369 1.363 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000358358913 386941230 /nfs/dbraw/zinc/94/12/30/386941230.db2.gz ZINANCLIUBVYHF-OUCADQQQSA-N 2 0 240.391 1.467 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1NC[C@@H]1CCC[NH2+]C1 ZINC000332265250 386969626 /nfs/dbraw/zinc/96/96/26/386969626.db2.gz CSMJFZMZXYFRQC-JHJVBQTASA-N 2 0 225.380 1.236 20 0 BDADRP C[C@H]1OCC[C@@H]1[NH2+]CC1([NH3+])CCCCC1 ZINC000334819886 386948380 /nfs/dbraw/zinc/94/83/80/386948380.db2.gz WBDMEWYOGMTBIK-MNOVXSKESA-N 2 0 212.337 1.415 20 0 BDADRP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000332054059 386950669 /nfs/dbraw/zinc/95/06/69/386950669.db2.gz WTICUNPXQWCCEV-NNYUYHANSA-N 2 0 246.420 1.348 20 0 BDADRP CC[C@H]([NH2+]CCCC[NH+](C)C)c1nccn1C ZINC000341703148 386952248 /nfs/dbraw/zinc/95/22/48/386952248.db2.gz CFLWGHWBVPQGKT-LBPRGKRZSA-N 2 0 238.379 1.803 20 0 BDADRP Fc1cccc(CN2C[C@H]3C[NH2+]C[C@H]3C2)c1F ZINC000107575276 387033518 /nfs/dbraw/zinc/03/35/18/387033518.db2.gz IDCMDZKDFMNUPX-PHIMTYICSA-N 2 0 238.281 1.616 20 0 BDADRP C[C@H](Cc1cnccn1)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000333565299 387044401 /nfs/dbraw/zinc/04/44/01/387044401.db2.gz LPYPEHVSWBCFBC-RAIGVLPGSA-N 2 0 234.347 1.267 20 0 BDADRP CCn1cncc1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000334964754 387045175 /nfs/dbraw/zinc/04/51/75/387045175.db2.gz CPPZVFZHQRNOCD-OCCSQVGLSA-N 2 0 249.358 1.904 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000359034002 387046550 /nfs/dbraw/zinc/04/65/50/387046550.db2.gz HQXKSUSEKWSSAB-BFHYXJOUSA-N 2 0 241.423 1.789 20 0 BDADRP CC[C@H](O)C[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000336764469 387048055 /nfs/dbraw/zinc/04/80/55/387048055.db2.gz QAKLUXQLXGHQIE-SDDRHHMPSA-N 2 0 214.353 1.077 20 0 BDADRP C[C@H](O)CCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000228038483 387062232 /nfs/dbraw/zinc/06/22/32/387062232.db2.gz HWPDECDKAHVVJU-QNWHQSFQSA-N 2 0 228.380 1.466 20 0 BDADRP C[C@@H](C[NH3+])N(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000514602427 387010289 /nfs/dbraw/zinc/01/02/89/387010289.db2.gz OAQMMSOJXAYMPY-NSHDSACASA-N 2 0 249.358 1.167 20 0 BDADRP C[C@@H](NCC1([NH3+])CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000333302551 387027449 /nfs/dbraw/zinc/02/74/49/387027449.db2.gz QGKBKHPRBRLQCV-CHWSQXEVSA-N 2 0 239.407 1.768 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@H](C)c1ccccc1N(C)C ZINC000423298699 387130235 /nfs/dbraw/zinc/13/02/35/387130235.db2.gz ASTXXURFQRTMJO-VXGBXAGGSA-N 2 0 235.375 1.998 20 0 BDADRP Cc1cnc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)o1 ZINC000334980841 387068765 /nfs/dbraw/zinc/06/87/65/387068765.db2.gz OHKGWPYXCJBATE-STQMWFEESA-N 2 0 249.358 1.805 20 0 BDADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCC3CC[NH2+]CC3)C[C@@H]12 ZINC000359223263 387069656 /nfs/dbraw/zinc/06/96/56/387069656.db2.gz QYZVIOFNJCBZQR-BFHYXJOUSA-N 3 0 237.391 1.045 20 0 BDADRP Cc1nccn1CC[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000228122174 387079851 /nfs/dbraw/zinc/07/98/51/387079851.db2.gz GHRSXSLZPREYGH-AAEUAGOBSA-N 2 0 237.347 1.427 20 0 BDADRP FC(F)COCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000188769529 387079883 /nfs/dbraw/zinc/07/98/83/387079883.db2.gz ZKVVTZIVFIKGFA-MNOVXSKESA-N 2 0 248.317 1.485 20 0 BDADRP C[N@H+](CCNC1CC[NH2+]CC1)C1CCCC1 ZINC000070945357 387086202 /nfs/dbraw/zinc/08/62/02/387086202.db2.gz WDTWBNJYYSGBSZ-UHFFFAOYSA-N 2 0 225.380 1.202 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CC1CCOCC1 ZINC000335007863 387103445 /nfs/dbraw/zinc/10/34/45/387103445.db2.gz ALAAHCFUJJXOSX-QWHCGFSZSA-N 2 0 226.364 1.663 20 0 BDADRP C[C@H]1CC[NH2+]C[C@H]1NC1CC(C)(F)C1 ZINC000335008364 387103672 /nfs/dbraw/zinc/10/36/72/387103672.db2.gz SSOKFNVDAMOXTA-QPBDYMMBSA-N 2 0 200.301 1.465 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+]CC1([NH3+])CCCCC1 ZINC000335011458 387107486 /nfs/dbraw/zinc/10/74/86/387107486.db2.gz SSMGDRFOMQHEOI-NEPJUHHUSA-N 2 0 226.364 1.663 20 0 BDADRP CCSCC[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000336766451 387109853 /nfs/dbraw/zinc/10/98/53/387109853.db2.gz ROKNXGFMBHZGBO-JQWIXIFHSA-N 2 0 228.405 1.812 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]CC2(O)CCC2)c2ccccc21 ZINC000127379121 387116878 /nfs/dbraw/zinc/11/68/78/387116878.db2.gz ADOUCQHLODLELW-QWHCGFSZSA-N 2 0 232.327 1.636 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CC2(O)CCC2)c2ccccc21 ZINC000127378401 387116968 /nfs/dbraw/zinc/11/69/68/387116968.db2.gz ADOUCQHLODLELW-OLZOCXBDSA-N 2 0 232.327 1.636 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CCC[C@@H]([NH3+])C2)cc1 ZINC000335031412 387127005 /nfs/dbraw/zinc/12/70/05/387127005.db2.gz UGEQFBBNXLXJEB-ZWNOBZJWSA-N 2 0 247.342 1.270 20 0 BDADRP CCC[NH2+]CCN[C@H]1CCCC[C@H]1C[NH3+] ZINC000423310464 387145481 /nfs/dbraw/zinc/14/54/81/387145481.db2.gz NJULZFJDEUVMRC-RYUDHWBXSA-N 2 0 213.369 1.093 20 0 BDADRP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+][C@H]1CCCNC1 ZINC000423309374 387145671 /nfs/dbraw/zinc/14/56/71/387145671.db2.gz ZIIUOURQTVRHHI-RWMBFGLXSA-N 2 0 240.391 1.922 20 0 BDADRP CCC[NH2+]CCN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000423309899 387146253 /nfs/dbraw/zinc/14/62/53/387146253.db2.gz MLFLUWWGCFCKIY-FRRDWIJNSA-N 2 0 227.396 1.304 20 0 BDADRP CCC[NH2+]CCN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423310221 387146537 /nfs/dbraw/zinc/14/65/37/387146537.db2.gz NEBNVNHBPWXENN-NEPJUHHUSA-N 2 0 213.369 1.106 20 0 BDADRP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@H]([NH3+])C2CC2)C1(C)C ZINC000423313318 387151815 /nfs/dbraw/zinc/15/18/15/387151815.db2.gz FLZCVFVXQQKQTM-RWMBFGLXSA-N 2 0 240.391 1.905 20 0 BDADRP Cc1n[nH]cc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000336327797 387154267 /nfs/dbraw/zinc/15/42/67/387154267.db2.gz IBKHXWSEVKUDON-AWEZNQCLSA-N 2 0 248.374 1.682 20 0 BDADRP [NH3+][C@H](C[NH2+][C@H]1CCc2ccccc2OC1)C1CC1 ZINC000423315152 387155371 /nfs/dbraw/zinc/15/53/71/387155371.db2.gz INKNGIVTSFPVMY-UONOGXRCSA-N 2 0 246.354 1.707 20 0 BDADRP CC[N@@H+](CCC(=O)OC)CC[C@@H]1CCC[NH+]1C ZINC000120091614 387156999 /nfs/dbraw/zinc/15/69/99/387156999.db2.gz KQJAHPWWPDMDFN-LBPRGKRZSA-N 2 0 242.363 1.356 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CCCC[NH3+])[C@H]2CCC[C@H]21 ZINC000423316628 387157297 /nfs/dbraw/zinc/15/72/97/387157297.db2.gz BXSRDDYIGZNZHL-FRRDWIJNSA-N 3 0 225.380 1.188 20 0 BDADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+]CCCC[NH3+])C1(C)C ZINC000423319936 387161462 /nfs/dbraw/zinc/16/14/62/387161462.db2.gz FSXQZKIIDPAGGQ-GMTAPVOTSA-N 2 0 214.353 1.374 20 0 BDADRP CC(C)[C@H](Cn1cccn1)[NH2+]CC1([NH3+])CCC1 ZINC000423325110 387167710 /nfs/dbraw/zinc/16/77/10/387167710.db2.gz KUSZTNOBJQAQJT-LBPRGKRZSA-N 2 0 236.363 1.379 20 0 BDADRP CCOC[C@H]1CCC[C@@H]1[NH2+]CCCC[NH3+] ZINC000423329978 387173417 /nfs/dbraw/zinc/17/34/17/387173417.db2.gz PGBCMQVIOVNKSF-NEPJUHHUSA-N 2 0 214.353 1.520 20 0 BDADRP C[N@H+](CCCO)C1CC[NH+](C2CCCC2)CC1 ZINC000120098533 387174491 /nfs/dbraw/zinc/17/44/91/387174491.db2.gz KTTJVQZTDGWGNU-UHFFFAOYSA-N 2 0 240.391 1.708 20 0 BDADRP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)C1CCSCC1 ZINC000423330174 387174831 /nfs/dbraw/zinc/17/48/31/387174831.db2.gz UAHZEZAGADNFQS-CABZTGNLSA-N 2 0 228.405 1.845 20 0 BDADRP C[C@H](C[NH3+])N[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423330447 387175011 /nfs/dbraw/zinc/17/50/11/387175011.db2.gz PEZLAROCORIAFY-FDYHWXHSSA-N 2 0 225.380 1.234 20 0 BDADRP CC[N@H+](CCO)CCCc1ccc(C)nc1 ZINC000353365208 387189382 /nfs/dbraw/zinc/18/93/82/387189382.db2.gz UOVMISMHBVFPMI-UHFFFAOYSA-N 2 0 222.332 1.637 20 0 BDADRP COc1cccc2c1CC[C@@H]2[NH2+]CC1C[NH2+]C1 ZINC000423303474 387137651 /nfs/dbraw/zinc/13/76/51/387137651.db2.gz LQDYMSZVOWABOQ-ZDUSSCGKSA-N 2 0 232.327 1.492 20 0 BDADRP CCC[NH2+]CCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423305446 387138995 /nfs/dbraw/zinc/13/89/95/387138995.db2.gz BWZFSJXUHCZNHO-KBPBESRZSA-N 2 0 233.359 1.720 20 0 BDADRP CCC[NH2+]CCN[C@@H](C)c1c[nH+]ccc1N ZINC000423305440 387139329 /nfs/dbraw/zinc/13/93/29/387139329.db2.gz BWGPEFDWKDJRMO-JTQLQIEISA-N 2 0 222.336 1.144 20 0 BDADRP C[C@@H](CCc1ccccc1)[NH2+]CC1C[NH2+]C1 ZINC000423305313 387139647 /nfs/dbraw/zinc/13/96/47/387139647.db2.gz QNTUMLUZXYSAJL-LBPRGKRZSA-N 2 0 218.344 1.817 20 0 BDADRP C[C@H](C[NH3+])CN[C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423305135 387140162 /nfs/dbraw/zinc/14/01/62/387140162.db2.gz KEMALWVBYVUBBR-MBNYWOFBSA-N 2 0 235.375 1.129 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000300397053 387203508 /nfs/dbraw/zinc/20/35/08/387203508.db2.gz SJMXUIZQXVHHDM-YNEHKIRRSA-N 2 0 228.380 1.501 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccncc1 ZINC000423355444 387205657 /nfs/dbraw/zinc/20/56/57/387205657.db2.gz FNGSDTHOAXMGBZ-DGCLKSJQSA-N 2 0 219.332 1.874 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000300413152 387207438 /nfs/dbraw/zinc/20/74/38/387207438.db2.gz YVUYXBOQAJEYMW-RQJABVFESA-N 2 0 242.407 1.856 20 0 BDADRP CC[C@H](NCC[C@H]1CCC[NH2+]1)[C@@H]1CCCC[NH2+]1 ZINC000423355938 387208470 /nfs/dbraw/zinc/20/84/70/387208470.db2.gz JCZMPKLPPGAYHM-RDBSUJKOSA-N 2 0 239.407 1.639 20 0 BDADRP CO[C@H](C)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000336379559 387209622 /nfs/dbraw/zinc/20/96/22/387209622.db2.gz ULASZLQHLOSEJB-OLZOCXBDSA-N 2 0 226.364 1.439 20 0 BDADRP Cn1ccc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000300416711 387210608 /nfs/dbraw/zinc/21/06/08/387210608.db2.gz VLVZQTSHFOAMGE-KBPBESRZSA-N 2 0 248.374 1.179 20 0 BDADRP C[C@H](N[C@H]1CC[NH2+]C[C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000423361762 387211879 /nfs/dbraw/zinc/21/18/79/387211879.db2.gz APCXISZEXJSPGI-VOAKCMCISA-N 2 0 225.380 1.105 20 0 BDADRP C[C@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCCC1 ZINC000571994864 387217112 /nfs/dbraw/zinc/21/71/12/387217112.db2.gz ZSQCXDIVXCUYFV-ZDUSSCGKSA-N 2 0 248.370 1.753 20 0 BDADRP Cc1ccc([C@@H](C)[NH2+]CCC[NH3+])c(C)n1 ZINC000643496720 387218007 /nfs/dbraw/zinc/21/80/07/387218007.db2.gz PPRPCDONSXJCIO-SNVBAGLBSA-N 2 0 207.321 1.698 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353504588 387218964 /nfs/dbraw/zinc/21/89/64/387218964.db2.gz SBONQPMAPHVPOE-MQYQWHSLSA-N 2 0 240.391 1.610 20 0 BDADRP CC[C@H](CCO)[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353528746 387223145 /nfs/dbraw/zinc/22/31/45/387223145.db2.gz HPJSAZKHDRNHMW-RQJABVFESA-N 2 0 240.391 1.610 20 0 BDADRP CC[NH2+][C@H](C)CN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423371634 387226350 /nfs/dbraw/zinc/22/63/50/387226350.db2.gz AOBWBBJRFREAIK-IJLUTSLNSA-N 2 0 213.369 1.105 20 0 BDADRP Cc1ccc(C[NH2+]CCOCC[NH+](C)C)o1 ZINC000230005107 387227862 /nfs/dbraw/zinc/22/78/62/387227862.db2.gz YMBDJRXIVGDECO-UHFFFAOYSA-N 2 0 226.320 1.256 20 0 BDADRP CCOCC[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000230025318 387228819 /nfs/dbraw/zinc/22/88/19/387228819.db2.gz UCLRSZADVCUIED-UHFFFAOYSA-N 2 0 236.359 1.874 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)CC(N)=O ZINC000120330275 387230873 /nfs/dbraw/zinc/23/08/73/387230873.db2.gz GTIYXGWQUUVPDP-RYUDHWBXSA-N 2 0 243.395 1.350 20 0 BDADRP COC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)C(C)C ZINC000423403576 387241056 /nfs/dbraw/zinc/24/10/56/387241056.db2.gz YOZMGIPTIBMQMM-UTUOFQBUSA-N 2 0 214.353 1.388 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1cnn(C)c1 ZINC000423407127 387244633 /nfs/dbraw/zinc/24/46/33/387244633.db2.gz VJRFYXLWKVMGIG-KGYLQXTDSA-N 2 0 236.363 1.459 20 0 BDADRP COC[C@]1(C[NH2+][C@H](C)[C@H]2C[C@H]2C)CCC[NH2+]1 ZINC000423409505 387246500 /nfs/dbraw/zinc/24/65/00/387246500.db2.gz BTIAYOVZBJUFKD-FVCCEPFGSA-N 2 0 226.364 1.389 20 0 BDADRP CCCC[N@H+](C)CCNC(=O)[C@](C)([NH3+])CCC ZINC000353646842 387248960 /nfs/dbraw/zinc/24/89/60/387248960.db2.gz ZPXJOVFETNMQRC-CYBMUJFWSA-N 2 0 243.395 1.352 20 0 BDADRP COCCC[C@@H](C)[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000423419187 387249331 /nfs/dbraw/zinc/24/93/31/387249331.db2.gz IILIUMWRRROLMX-CHWSQXEVSA-N 2 0 244.379 1.160 20 0 BDADRP C[C@]12C[C@H]1CCC[C@@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423462037 387310254 /nfs/dbraw/zinc/31/02/54/387310254.db2.gz UZRBVRJDTRJIPB-NLMKBYRWSA-N 2 0 206.333 1.373 20 0 BDADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000423463040 387310502 /nfs/dbraw/zinc/31/05/02/387310502.db2.gz LBIFZKRXJYCGIG-ODXJTPSBSA-N 2 0 240.391 1.907 20 0 BDADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)[C@@H]1CCCC[NH2+]1 ZINC000423465979 387312283 /nfs/dbraw/zinc/31/22/83/387312283.db2.gz AGTITRPOTRULHB-MJBXVCDLSA-N 3 0 239.407 1.639 20 0 BDADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)[C@H]1CCCC[NH2+]1 ZINC000423465973 387313536 /nfs/dbraw/zinc/31/35/36/387313536.db2.gz AGTITRPOTRULHB-BFHYXJOUSA-N 3 0 239.407 1.639 20 0 BDADRP COCC[C@@H]1CCC[C@H]1[NH2+][C@H](C)CCC[NH3+] ZINC000423466701 387315537 /nfs/dbraw/zinc/31/55/37/387315537.db2.gz XIZNPKKVQBTZKW-FRRDWIJNSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000423429027 387254254 /nfs/dbraw/zinc/25/42/54/387254254.db2.gz JVRVXTYQRSEFEN-VZZFWQQMSA-N 3 0 237.391 1.105 20 0 BDADRP CO[C@H](C)[C@@H](C)NC[C@H]1[NH2+]CCCC1(C)C ZINC000423381196 387262954 /nfs/dbraw/zinc/26/29/54/387262954.db2.gz HUWISPHXPYPVFV-IJLUTSLNSA-N 2 0 228.380 1.778 20 0 BDADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000423382813 387264268 /nfs/dbraw/zinc/26/42/68/387264268.db2.gz PDTOFDBIQURVPR-ZDEQEGDKSA-N 2 0 225.380 1.057 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)CN1C1CC1 ZINC000423385052 387267890 /nfs/dbraw/zinc/26/78/90/387267890.db2.gz LKKFGXNNRWZSMM-VOAKCMCISA-N 2 0 237.391 1.471 20 0 BDADRP [NH3+]CC[C@@H]1CCCCN1C[C@@H]1CCC[NH2+]C1 ZINC000352504966 387268840 /nfs/dbraw/zinc/26/88/40/387268840.db2.gz WPNJFHDMDUBDMD-OLZOCXBDSA-N 2 0 225.380 1.189 20 0 BDADRP C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)[C@H]1CCCO1 ZINC000423391156 387276800 /nfs/dbraw/zinc/27/68/00/387276800.db2.gz PKSPOKCJBYXZNT-IAQYHMDHSA-N 2 0 246.354 1.947 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000643498514 387278257 /nfs/dbraw/zinc/27/82/57/387278257.db2.gz OOFWDNXELQFKDK-MNOVXSKESA-N 2 0 200.326 1.143 20 0 BDADRP C1CCC2(C1)[C@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)[C@H]1CCO[C@H]12 ZINC000423433057 387284205 /nfs/dbraw/zinc/28/42/05/387284205.db2.gz MUOKWVPKTHUGLV-UYYXNEDZSA-N 2 0 248.370 1.142 20 0 BDADRP C1CCC2(C1)[C@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)[C@H]1CCO[C@@H]12 ZINC000423433058 387284878 /nfs/dbraw/zinc/28/48/78/387284878.db2.gz MUOKWVPKTHUGLV-WCQYUDONSA-N 2 0 248.370 1.142 20 0 BDADRP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)C1CC1 ZINC000423438782 387288155 /nfs/dbraw/zinc/28/81/55/387288155.db2.gz NFTZFHRKTPMOCC-JIMOISOXSA-N 2 0 208.349 1.763 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)CCC[NH3+])[C@@H]1CCC[NH2+]1 ZINC000423457736 387306015 /nfs/dbraw/zinc/30/60/15/387306015.db2.gz PKBBMXGPQYMJQW-SRVKXCTJSA-N 3 0 213.369 1.234 20 0 BDADRP CO[C@@H](C)[C@@H](C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423536024 387361187 /nfs/dbraw/zinc/36/11/87/387361187.db2.gz GGMCDTYIFYQZIE-MNOVXSKESA-N 2 0 212.337 1.309 20 0 BDADRP [NH3+]CCC1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000515306219 387361271 /nfs/dbraw/zinc/36/12/71/387361271.db2.gz ZIGZKTUAULITKR-CQSZACIVSA-N 3 0 239.407 1.437 20 0 BDADRP CCN1C[C@H](C)[C@H]([NH2+]CCC2=CC[NH2+]CC2)C1 ZINC000423535392 387361805 /nfs/dbraw/zinc/36/18/05/387361805.db2.gz CXHNUCIDUASONP-GXTWGEPZSA-N 2 0 237.391 1.226 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423536023 387361933 /nfs/dbraw/zinc/36/19/33/387361933.db2.gz GGMCDTYIFYQZIE-GHMZBOCLSA-N 2 0 212.337 1.309 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@@H]1CCCC[NH2+]1 ZINC000643502847 387362732 /nfs/dbraw/zinc/36/27/32/387362732.db2.gz STQDCUOQLIZXRO-RWMBFGLXSA-N 2 0 225.380 1.236 20 0 BDADRP CC[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1nccn1C ZINC000423537140 387363867 /nfs/dbraw/zinc/36/38/67/387363867.db2.gz JHXLBCQBMPJMNA-ZDUSSCGKSA-N 2 0 248.374 1.771 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc3c2NCC3)C1 ZINC000336541441 387364290 /nfs/dbraw/zinc/36/42/90/387364290.db2.gz HCMLPOLJESQZFG-YPMHNXCESA-N 2 0 245.370 1.824 20 0 BDADRP CC[C@@H]([NH2+]C[C@@H]([NH3+])CC)C1(C(=O)OC)CCC1 ZINC000423481938 387364273 /nfs/dbraw/zinc/36/42/73/387364273.db2.gz XAHKGKWOSZCDIH-WDEREUQCSA-N 2 0 242.363 1.435 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423538225 387364437 /nfs/dbraw/zinc/36/44/37/387364437.db2.gz MHLAVIHMZMHPNF-GFCCVEGCSA-N 2 0 234.347 1.171 20 0 BDADRP CCCCOCC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000303621884 387384411 /nfs/dbraw/zinc/38/44/11/387384411.db2.gz ZEUZOZPJNUQAPM-CYBMUJFWSA-N 2 0 226.364 1.489 20 0 BDADRP C[C@H](NCCC[NH2+]C1CC1)c1c[nH+]ccc1N ZINC000423546583 387369971 /nfs/dbraw/zinc/36/99/71/387369971.db2.gz FNUWKLGGACCTEB-JTQLQIEISA-N 3 0 234.347 1.287 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)[C@H]1CCCOC1 ZINC000423545900 387369998 /nfs/dbraw/zinc/36/99/98/387369998.db2.gz FBDJXRCPCQDNRX-RWMBFGLXSA-N 2 0 226.364 1.533 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@H]1Cc2ccccc21 ZINC000643453508 387370142 /nfs/dbraw/zinc/37/01/42/387370142.db2.gz IWYBRKNWPRUGLL-MRVWCRGKSA-N 2 0 216.328 1.796 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CC12CCSCC2)C1C[NH2+]C1 ZINC000423554006 387372385 /nfs/dbraw/zinc/37/23/85/387372385.db2.gz RFFWEWZPDIETAS-PWSUYJOCSA-N 2 0 240.416 1.717 20 0 BDADRP Nc1ncc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000515383711 387372799 /nfs/dbraw/zinc/37/27/99/387372799.db2.gz UEIOQRNZODBDIL-DTWKUNHWSA-N 2 0 240.376 1.163 20 0 BDADRP Cc1cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc(C)n1 ZINC000423559683 387374528 /nfs/dbraw/zinc/37/45/28/387374528.db2.gz UCJHGDASLXFSNH-NXEZZACHSA-N 2 0 221.348 1.914 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)CCO1 ZINC000423558954 387375038 /nfs/dbraw/zinc/37/50/38/387375038.db2.gz SRLQHKVISLVIHH-LOWDOPEQSA-N 2 0 226.364 1.674 20 0 BDADRP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)[C@@H]1CCOC1 ZINC000423571994 387380311 /nfs/dbraw/zinc/38/03/11/387380311.db2.gz YAQQMXBUPYFJRJ-TUAOUCFPSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H](N[C@@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000643462905 387321500 /nfs/dbraw/zinc/32/15/00/387321500.db2.gz YFGKGOTXMRPPDA-BNOWGMLFSA-N 2 0 237.391 1.201 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423476737 387323555 /nfs/dbraw/zinc/32/35/55/387323555.db2.gz RDMLHFQCLZRNHB-UPJWGTAASA-N 3 0 227.396 1.611 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423477148 387323634 /nfs/dbraw/zinc/32/36/34/387323634.db2.gz JODIZFSLRXAPGT-MELADBBJSA-N 3 0 239.407 1.626 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000643462672 387327644 /nfs/dbraw/zinc/32/76/44/387327644.db2.gz CRQYTDWASGZAAP-BFHYXJOUSA-N 2 0 237.391 1.188 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000423484027 387329391 /nfs/dbraw/zinc/32/93/91/387329391.db2.gz YDQOAOHIFNCXRM-VXGBXAGGSA-N 2 0 226.364 1.663 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@H]1CCCC12CCOCC2 ZINC000423484026 387330099 /nfs/dbraw/zinc/33/00/99/387330099.db2.gz YDQOAOHIFNCXRM-RYUDHWBXSA-N 2 0 226.364 1.663 20 0 BDADRP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])[C@@H]1C ZINC000423485331 387330645 /nfs/dbraw/zinc/33/06/45/387330645.db2.gz ZCYJJDNYSWSFJP-JCIQBVFBSA-N 2 0 242.363 1.290 20 0 BDADRP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])[C@H]1C ZINC000423485334 387331815 /nfs/dbraw/zinc/33/18/15/387331815.db2.gz ZCYJJDNYSWSFJP-SVNGYHJRSA-N 2 0 242.363 1.290 20 0 BDADRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000423487934 387333153 /nfs/dbraw/zinc/33/31/53/387333153.db2.gz UVVBHIVKOAHVTH-UPJWGTAASA-N 3 0 225.380 1.249 20 0 BDADRP COC[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)C(C)C ZINC000423488054 387334194 /nfs/dbraw/zinc/33/41/94/387334194.db2.gz DIDHUAVMNOMIFU-TUAOUCFPSA-N 2 0 214.353 1.374 20 0 BDADRP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000423493352 387335527 /nfs/dbraw/zinc/33/55/27/387335527.db2.gz BGDJIFRKVSFZBZ-XUXIUFHCSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccnn1C ZINC000423491188 387335639 /nfs/dbraw/zinc/33/56/39/387335639.db2.gz YSIRJVAHIAXHDB-NEPJUHHUSA-N 2 0 236.363 1.603 20 0 BDADRP C([NH2+][C@H]1CC[C@H]1C1CCC1)[C@H]1C[NH2+]CCCO1 ZINC000423492243 387335796 /nfs/dbraw/zinc/33/57/96/387335796.db2.gz MHHOKGKKKMUIKT-RDBSUJKOSA-N 2 0 238.375 1.533 20 0 BDADRP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423493900 387337646 /nfs/dbraw/zinc/33/76/46/387337646.db2.gz RHGHQBRVWURMGL-HZSPNIEDSA-N 2 0 240.391 1.923 20 0 BDADRP CC[N@@H+]1C[C@H](C)[C@H](N2C[C@@H](C)[C@](C)(C[NH3+])C2)C1 ZINC000423501189 387339846 /nfs/dbraw/zinc/33/98/46/387339846.db2.gz AYZMSWIPAUKMOR-REWJHTLYSA-N 2 0 239.407 1.243 20 0 BDADRP CC[N@@H+]1C[C@@H](C)[C@H](N2C[C@@H](C)[C@](C)(C[NH3+])C2)C1 ZINC000423501187 387340276 /nfs/dbraw/zinc/34/02/76/387340276.db2.gz AYZMSWIPAUKMOR-AAVRWANBSA-N 2 0 239.407 1.243 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])N[C@@H](C[NH3+])C1CCCC1 ZINC000423497102 387341130 /nfs/dbraw/zinc/34/11/30/387341130.db2.gz GBINAUBKQRKULD-UMNHJUIQSA-N 2 0 213.369 1.219 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)C1 ZINC000643500765 387346198 /nfs/dbraw/zinc/34/61/98/387346198.db2.gz CCJWWBDROXJGQS-YNEHKIRRSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccc(F)cn1 ZINC000423513361 387348091 /nfs/dbraw/zinc/34/80/91/387348091.db2.gz RHPWVOZPFVXPCS-NHCYSSNCSA-N 2 0 237.322 1.999 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)C(C)(C)C ZINC000423516159 387350792 /nfs/dbraw/zinc/35/07/92/387350792.db2.gz NMRARJOHXAKMSW-WDEREUQCSA-N 2 0 214.353 1.389 20 0 BDADRP CC[C@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423519406 387352485 /nfs/dbraw/zinc/35/24/85/387352485.db2.gz PSSLPRLZSYGBOG-HSBZDZAISA-N 2 0 239.407 1.591 20 0 BDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]([NH3+])CCC ZINC000423779588 387423929 /nfs/dbraw/zinc/42/39/29/387423929.db2.gz VMOGWENROUFHHN-RYUDHWBXSA-N 2 0 243.395 1.350 20 0 BDADRP C[NH2+]CCC(=O)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000423792820 387428162 /nfs/dbraw/zinc/42/81/62/387428162.db2.gz WBSCXMYGZUBURX-UHFFFAOYSA-N 2 0 249.358 1.605 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000423857583 387437604 /nfs/dbraw/zinc/43/76/04/387437604.db2.gz ZWLZFFAXNKTMQO-CYBMUJFWSA-N 2 0 241.379 1.057 20 0 BDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC1CC1 ZINC000374423761 387452939 /nfs/dbraw/zinc/45/29/39/387452939.db2.gz XOHXCENTOHZEIR-MCIONIFRSA-N 2 0 238.375 1.580 20 0 BDADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CC1CC1 ZINC000374423760 387452953 /nfs/dbraw/zinc/45/29/53/387452953.db2.gz XOHXCENTOHZEIR-HZSPNIEDSA-N 2 0 238.375 1.580 20 0 BDADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCCF ZINC000374419695 387453003 /nfs/dbraw/zinc/45/30/03/387453003.db2.gz IWTPLPHUARFGJK-AGIUHOORSA-N 2 0 244.354 1.530 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H](CO)CC(F)(F)F)C1 ZINC000515671413 387410055 /nfs/dbraw/zinc/41/00/55/387410055.db2.gz IYKGKRPZRXWRMY-IWSPIJDZSA-N 2 0 240.269 1.159 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](CO)CC(F)(F)F)C1 ZINC000515671412 387410691 /nfs/dbraw/zinc/41/06/91/387410691.db2.gz IYKGKRPZRXWRMY-HRDYMLBCSA-N 2 0 240.269 1.159 20 0 BDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C ZINC000423777457 387422387 /nfs/dbraw/zinc/42/23/87/387422387.db2.gz RJZYONYBBGUMRA-RYUDHWBXSA-N 2 0 243.395 1.206 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)CCC[NH3+])C1 ZINC000643475468 387508865 /nfs/dbraw/zinc/50/88/65/387508865.db2.gz WZIBCMNCBDWOET-SDDRHHMPSA-N 2 0 214.353 1.661 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000643475313 387509261 /nfs/dbraw/zinc/50/92/61/387509261.db2.gz FPIPXKSMTGBPLQ-XQHKEYJVSA-N 2 0 226.364 1.661 20 0 BDADRP [NH3+]CC1(O)CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000397062109 387536036 /nfs/dbraw/zinc/53/60/36/387536036.db2.gz QVKOYQCOZNKDGD-QPJJXVBHSA-N 2 0 246.354 1.485 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)C(C)(C)C ZINC000361804916 387537661 /nfs/dbraw/zinc/53/76/61/387537661.db2.gz PLKFJIIBWCYJEB-RWMBFGLXSA-N 2 0 242.407 1.977 20 0 BDADRP CC[C@@H](C(=O)NC(C)(C)CC[NH3+])[NH+](CC)CC ZINC000424048297 387470352 /nfs/dbraw/zinc/47/03/52/387470352.db2.gz QNSBWXMOQBLIGR-NSHDSACASA-N 2 0 243.395 1.350 20 0 BDADRP CC(C)[NH+]1CCC(O)(C[NH2+]CC2(F)CC2)CC1 ZINC000527230233 387541937 /nfs/dbraw/zinc/54/19/37/387541937.db2.gz KTTPSOGAMJUSJA-UHFFFAOYSA-N 2 0 244.354 1.313 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000643470999 387477323 /nfs/dbraw/zinc/47/73/23/387477323.db2.gz GXMKXSXESSLCGA-NDBYEHHHSA-N 2 0 226.364 1.255 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C1CCC(CO)CC1 ZINC000643471375 387479449 /nfs/dbraw/zinc/47/94/49/387479449.db2.gz XQAMMTMTDIDGGE-PQAZSJQKSA-N 2 0 240.391 1.787 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCC1(CO)CC1 ZINC000395838601 387479433 /nfs/dbraw/zinc/47/94/33/387479433.db2.gz MHIFUFDTMUXGID-RYUDHWBXSA-N 2 0 226.364 1.256 20 0 BDADRP CO[C@@H]1CCN(CCCCCF)[C@@H](C[NH3+])C1 ZINC000304460028 387483429 /nfs/dbraw/zinc/48/34/29/387483429.db2.gz ZUABBUWVQTZWOS-VXGBXAGGSA-N 2 0 232.343 1.564 20 0 BDADRP CCC1(O)CCC([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000643474217 387487873 /nfs/dbraw/zinc/48/78/73/387487873.db2.gz PPQNSJKCYLOKQE-ZIHBUVQPSA-N 2 0 240.391 1.800 20 0 BDADRP CCOC[C@H](C)[NH2+]CCC1CC[NH+](C)CC1 ZINC000122139790 387487940 /nfs/dbraw/zinc/48/79/40/387487940.db2.gz IEIJLVPPVUCZLT-LBPRGKRZSA-N 2 0 228.380 1.733 20 0 BDADRP CC(C)[NH2+]CCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000643508341 387488450 /nfs/dbraw/zinc/48/84/50/387488450.db2.gz PDMRCIIKTVYGID-KGLIPLIRSA-N 3 0 239.407 1.591 20 0 BDADRP CO[C@H]1CCC[C@H]([NH2+]CCC[NH2+]C(C)C)C1 ZINC000643508407 387490249 /nfs/dbraw/zinc/49/02/49/387490249.db2.gz DPZSSGDZILCUJY-STQMWFEESA-N 2 0 228.380 1.922 20 0 BDADRP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000643511628 387593433 /nfs/dbraw/zinc/59/34/33/387593433.db2.gz PLOALQUSLJYSNK-DGCLKSJQSA-N 3 0 227.396 1.290 20 0 BDADRP Cc1ncc([C@H](C)[NH2+]C[C@H](C)C[NH3+])s1 ZINC000643514851 387600002 /nfs/dbraw/zinc/60/00/02/387600002.db2.gz QLJUEFLPQOXJTH-SFYZADRCSA-N 2 0 213.350 1.697 20 0 BDADRP C[C@H]1C[C@H]1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422561075 387601753 /nfs/dbraw/zinc/60/17/53/387601753.db2.gz IVZHOGMHWBPNQJ-QNWJLWSRSA-N 2 0 210.365 1.948 20 0 BDADRP CCOCCC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422639668 387609896 /nfs/dbraw/zinc/60/98/96/387609896.db2.gz UEDFAQVBYQQFAB-UHFFFAOYSA-N 2 0 212.337 1.241 20 0 BDADRP CC[N@@H+]1CC[C@@H](CN[C@@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000422695586 387612180 /nfs/dbraw/zinc/61/21/80/387612180.db2.gz QAVVDMFQRATZKP-MELADBBJSA-N 2 0 239.407 1.448 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000422690353 387612479 /nfs/dbraw/zinc/61/24/79/387612479.db2.gz GDOGFQGZYDRVGU-MJBXVCDLSA-N 3 0 239.407 1.306 20 0 BDADRP CC(C)CCOCC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000305593631 387615189 /nfs/dbraw/zinc/61/51/89/387615189.db2.gz YKKCCIYITUUASC-AWEZNQCLSA-N 2 0 240.391 1.735 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@H]1CCCCO1 ZINC000422704425 387621299 /nfs/dbraw/zinc/62/12/99/387621299.db2.gz PQJMJQYOUIWWDM-JHJVBQTASA-N 2 0 226.364 1.805 20 0 BDADRP C[C@H]([NH2+]CCO[C@H]1CCCC[C@H]1C)C1C[NH2+]C1 ZINC000422706157 387621510 /nfs/dbraw/zinc/62/15/10/387621510.db2.gz DRWIXTBMJHJEPP-DYEKYZERSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1CCCCO1 ZINC000422704505 387621742 /nfs/dbraw/zinc/62/17/42/387621742.db2.gz PVBHIDUWDFQWQR-JHJVBQTASA-N 2 0 226.364 1.533 20 0 BDADRP [NH3+]CC1CCC([NH2+]Cc2nccs2)CC1 ZINC000422709740 387623223 /nfs/dbraw/zinc/62/32/23/387623223.db2.gz DVZGEBFXOMMVHG-UHFFFAOYSA-N 2 0 225.361 1.750 20 0 BDADRP CCCCN(C)CC[NH2+][C@H](C)CCC[NH3+] ZINC000422709977 387623583 /nfs/dbraw/zinc/62/35/83/387623583.db2.gz LJMNMLTYWASOGK-GFCCVEGCSA-N 2 0 215.385 1.435 20 0 BDADRP CCC[NH+](CCC)CCCN[C@@H]1CCC[C@@H]1[NH3+] ZINC000422712365 387624850 /nfs/dbraw/zinc/62/48/50/387624850.db2.gz OBGOAYWKEWHTTL-UONOGXRCSA-N 2 0 241.423 1.968 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)NC1CC[NH+](CC2CC2)CC1 ZINC000422712534 387625063 /nfs/dbraw/zinc/62/50/63/387625063.db2.gz GUWJDJADSQPWPV-VXGBXAGGSA-N 2 0 239.407 1.576 20 0 BDADRP COCC(C)(C)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000426356530 387558088 /nfs/dbraw/zinc/55/80/88/387558088.db2.gz KXMVTLKCJHWJOW-LBPRGKRZSA-N 2 0 228.380 1.543 20 0 BDADRP CC[C@H]([NH3+])C(=O)N[C@H](C)CCC[NH+](CC)CC ZINC000036871244 387558443 /nfs/dbraw/zinc/55/84/43/387558443.db2.gz RLWUQXMGIZWQBP-NEPJUHHUSA-N 2 0 243.395 1.350 20 0 BDADRP C[C@@H]([NH3+])CC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000037607207 387565797 /nfs/dbraw/zinc/56/57/97/387565797.db2.gz KRBIYCWSKXRIRN-VXGBXAGGSA-N 2 0 241.379 1.104 20 0 BDADRP CC(C)C[C@@H](C[NH+](C)C)N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422717125 387629994 /nfs/dbraw/zinc/62/99/94/387629994.db2.gz OGVDQHSTVGMRHD-IHRRRGAJSA-N 2 0 241.423 1.693 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422718875 387630449 /nfs/dbraw/zinc/63/04/49/387630449.db2.gz XXYKPVOMYWLDFR-IJLUTSLNSA-N 2 0 214.353 1.253 20 0 BDADRP Cc1ccc2nc(C[NH2+][C@@H](C)CCC[NH3+])cn2c1 ZINC000422719928 387633607 /nfs/dbraw/zinc/63/36/07/387633607.db2.gz RQKAVJJLUWIZLO-LBPRGKRZSA-N 2 0 246.358 1.860 20 0 BDADRP CO[C@H](CN[C@H]1C[NH2+]CC[C@H]1C)c1ccccc1 ZINC000422730407 387637405 /nfs/dbraw/zinc/63/74/05/387637405.db2.gz DUZGTTJDRTXNQN-VHDGCEQUSA-N 2 0 248.370 1.962 20 0 BDADRP CCCCOCCC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422729547 387638545 /nfs/dbraw/zinc/63/85/45/387638545.db2.gz KWRQGXLSRQXWND-NWDGAFQWSA-N 2 0 216.369 1.909 20 0 BDADRP CCOCCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422731946 387640354 /nfs/dbraw/zinc/64/03/54/387640354.db2.gz OMIQHNRZBPWQTC-UHFFFAOYSA-N 2 0 214.353 1.520 20 0 BDADRP CCC[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000422733324 387641332 /nfs/dbraw/zinc/64/13/32/387641332.db2.gz QTNFXOUZOAEKOK-SECBINFHSA-N 2 0 207.321 1.909 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCCOc1ccccc1 ZINC000422795827 387695037 /nfs/dbraw/zinc/69/50/37/387695037.db2.gz WSWHMWLPJMVAJB-KBPBESRZSA-N 2 0 234.343 1.925 20 0 BDADRP CC[NH+](CC)CCCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000422734172 387642639 /nfs/dbraw/zinc/64/26/39/387642639.db2.gz SDMZQKVNXXPJOK-KGLIPLIRSA-N 2 0 241.423 1.968 20 0 BDADRP C[C@@H](NCC[N@H+](C)C1CCCC1)C1C[NH2+]C1 ZINC000422739401 387644943 /nfs/dbraw/zinc/64/49/43/387644943.db2.gz LCRYDFZWOOFTIO-LLVKDONJSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@H](NCC[N@H+](C)C1CCCC1)C1C[NH2+]C1 ZINC000422739402 387645880 /nfs/dbraw/zinc/64/58/80/387645880.db2.gz LCRYDFZWOOFTIO-NSHDSACASA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000422736825 387646292 /nfs/dbraw/zinc/64/62/92/387646292.db2.gz GWSWPPDSHQTYEF-JSGCOSHPSA-N 2 0 236.359 1.307 20 0 BDADRP C[C@@H]1CCNC[C@@H]1[NH2+]CCC1CC[NH+](C)CC1 ZINC000422738947 387646534 /nfs/dbraw/zinc/64/65/34/387646534.db2.gz KNGAQGYZGMZZHQ-OCCSQVGLSA-N 2 0 239.407 1.306 20 0 BDADRP C[NH+](C)[C@H]1CCCN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000125159234 387646724 /nfs/dbraw/zinc/64/67/24/387646724.db2.gz GCZIDCWGIBDUCF-KBPBESRZSA-N 2 0 239.407 1.497 20 0 BDADRP Cc1ncc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])s1 ZINC000422740513 387647956 /nfs/dbraw/zinc/64/79/56/387647956.db2.gz MWJXXPJDCALYRD-YUMQZZPRSA-N 2 0 213.350 1.667 20 0 BDADRP C[C@@H]([NH3+])CC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000430775665 387649100 /nfs/dbraw/zinc/64/91/00/387649100.db2.gz HLWKVSJORBCAGC-NEPJUHHUSA-N 2 0 241.379 1.057 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)CC2(C[NH3+])CC2)c1 ZINC000422741471 387649310 /nfs/dbraw/zinc/64/93/10/387649310.db2.gz OJICJVMOWBTFCH-UHFFFAOYSA-N 2 0 247.342 1.474 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccc(CO)c1 ZINC000422747807 387650199 /nfs/dbraw/zinc/65/01/99/387650199.db2.gz ZLPLMWVSFKFEHA-SWLSCSKDSA-N 2 0 248.370 1.657 20 0 BDADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000125312020 387651191 /nfs/dbraw/zinc/65/11/91/387651191.db2.gz HVBZIGNNFXIUFM-GXTWGEPZSA-N 2 0 240.391 1.733 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000643518644 387651404 /nfs/dbraw/zinc/65/14/04/387651404.db2.gz HISGWUXGOIUMIX-MCIONIFRSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]([NH2+]C[C@@H](C)c1ccccc1)C1C[NH2+]C1 ZINC000422754426 387657510 /nfs/dbraw/zinc/65/75/10/387657510.db2.gz GZEKVJHDPAOWCL-VXGBXAGGSA-N 2 0 218.344 1.988 20 0 BDADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)CCC[NH3+] ZINC000430898963 387659003 /nfs/dbraw/zinc/65/90/03/387659003.db2.gz YDJSJHMHSKWIRL-VXGBXAGGSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@H](CN1CCC[C@@H](C)C1)[NH2+][C@@H](C)CCC[NH3+] ZINC000422753276 387659164 /nfs/dbraw/zinc/65/91/64/387659164.db2.gz FZQJTFRXWMFCNN-HZSPNIEDSA-N 2 0 241.423 1.824 20 0 BDADRP Cc1cc(C)n(CCC[NH2+][C@@H]2CCC[C@H]2[NH3+])n1 ZINC000422752909 387659274 /nfs/dbraw/zinc/65/92/74/387659274.db2.gz HUWPAOVYAJCXDW-CHWSQXEVSA-N 2 0 236.363 1.359 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCN(C)Cc1ccccc1 ZINC000422756563 387660748 /nfs/dbraw/zinc/66/07/48/387660748.db2.gz JASJJMUORMQZBC-ZIAGYGMSSA-N 2 0 249.402 1.834 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CCOc1ccccc1F ZINC000422756529 387661624 /nfs/dbraw/zinc/66/16/24/387661624.db2.gz LRYLCAJNULOTLT-NSHDSACASA-N 2 0 240.322 1.922 20 0 BDADRP Cc1ccc(OCC[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000422761326 387662604 /nfs/dbraw/zinc/66/26/04/387662604.db2.gz RBYKVFQHNPXPBJ-LBPRGKRZSA-N 2 0 234.343 1.571 20 0 BDADRP COc1cc(C[NH2+][C@@H](C)C2C[NH2+]C2)ccc1C ZINC000422761613 387662793 /nfs/dbraw/zinc/66/27/93/387662793.db2.gz MYSANDJTYLMSTG-NSHDSACASA-N 2 0 234.343 1.701 20 0 BDADRP CSC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422761648 387663536 /nfs/dbraw/zinc/66/35/36/387663536.db2.gz RJBWHZXJRHAWSI-GKDVJIACSA-N 2 0 214.378 1.611 20 0 BDADRP Cc1cc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)ccn1 ZINC000527709184 387667892 /nfs/dbraw/zinc/66/78/92/387667892.db2.gz DQEFVKSNLSLNST-GFCCVEGCSA-N 2 0 242.326 1.760 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400757581 387667945 /nfs/dbraw/zinc/66/79/45/387667945.db2.gz XLQNYODLPBOUSB-XQQFMLRXSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1COc2ccccc2O1)C1C[NH2+]C1 ZINC000422772874 387671166 /nfs/dbraw/zinc/67/11/66/387671166.db2.gz ZERAYLZAKIYXFL-CMPLNLGQSA-N 2 0 248.326 1.024 20 0 BDADRP C[C@@H]1CCCC[N@@H+]1CCCN[C@@H]1CCC[C@H]1[NH3+] ZINC000422774426 387671862 /nfs/dbraw/zinc/67/18/62/387671862.db2.gz WZFWKUGDTYCBDS-MGPQQGTHSA-N 2 0 239.407 1.720 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCCC[C@@H]1OC ZINC000422795698 387695955 /nfs/dbraw/zinc/69/59/55/387695955.db2.gz WERYAEGNGOPRDQ-XQQFMLRXSA-N 2 0 244.379 1.288 20 0 BDADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000422794608 387695965 /nfs/dbraw/zinc/69/59/65/387695965.db2.gz ZELZGUFADJCKOS-UONOGXRCSA-N 3 0 239.407 1.578 20 0 BDADRP C[C@@H]([NH3+])CC(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000431050440 387673158 /nfs/dbraw/zinc/67/31/58/387673158.db2.gz UKQGUOKJHLANKL-GFCCVEGCSA-N 2 0 249.358 1.319 20 0 BDADRP CSCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000362925753 387674653 /nfs/dbraw/zinc/67/46/53/387674653.db2.gz LXDWCRLSNGSDNW-FRRDWIJNSA-N 2 0 240.416 1.766 20 0 BDADRP C[C@H](CC[NH+](C)C)N[C@H](C)C[C@H](C)[NH3+] ZINC000422776814 387676033 /nfs/dbraw/zinc/67/60/33/387676033.db2.gz DNSJMXKAYJZDHF-HBNTYKKESA-N 2 0 201.358 1.042 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCCn1cccn1 ZINC000126258275 387676767 /nfs/dbraw/zinc/67/67/67/387676767.db2.gz PFBIVGJFELRKNE-QWHCGFSZSA-N 2 0 236.363 1.380 20 0 BDADRP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)[C@H]1CCOC1 ZINC000422779132 387677851 /nfs/dbraw/zinc/67/78/51/387677851.db2.gz BNARPHNPRRZJLX-MQYQWHSLSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1NCCC[NH+]1CCCC1 ZINC000422780171 387678386 /nfs/dbraw/zinc/67/83/86/387678386.db2.gz GZSSBELRURBWOP-UONOGXRCSA-N 2 0 239.407 1.450 20 0 BDADRP C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000422780562 387678488 /nfs/dbraw/zinc/67/84/88/387678488.db2.gz KIZAVDJXCZAMKT-RFGFWPKPSA-N 2 0 239.407 1.589 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cnn(C)c1 ZINC000044498871 387682233 /nfs/dbraw/zinc/68/22/33/387682233.db2.gz ZFJQGQFWLIBPAU-RYUDHWBXSA-N 2 0 248.374 1.555 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2CCCCC[C@H]2[NH3+])CC[N@@H+]1C ZINC000422784076 387682590 /nfs/dbraw/zinc/68/25/90/387682590.db2.gz PFYHGSQHOQRGNX-SYQHCUMBSA-N 2 0 239.407 1.719 20 0 BDADRP CO[C@@H](C[NH2+][C@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000422743920 387688773 /nfs/dbraw/zinc/68/87/73/387688773.db2.gz VECHKGZNCLKQGB-RISCZKNCSA-N 2 0 234.343 1.572 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)[C@@H]1CCC[NH2+]1 ZINC000422790539 387692044 /nfs/dbraw/zinc/69/20/44/387692044.db2.gz UXZGAVJDUAELRF-RFGFWPKPSA-N 2 0 240.391 1.658 20 0 BDADRP CC[C@@H](NC1CC[NH+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422792049 387692184 /nfs/dbraw/zinc/69/21/84/387692184.db2.gz WTMFODDFHIRDJU-OLZOCXBDSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@H](N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000422861060 387743309 /nfs/dbraw/zinc/74/33/09/387743309.db2.gz IWPSFOKHDXQSHP-MNXVOIDGSA-N 2 0 237.391 1.342 20 0 BDADRP C[C@H](NCC[N@@H+]1CCCC[C@@H]1C)[C@H]1CCC[NH2+]1 ZINC000422862093 387743436 /nfs/dbraw/zinc/74/34/36/387743436.db2.gz NJVMRFHSXYPWOY-MELADBBJSA-N 2 0 239.407 1.591 20 0 BDADRP CC1CC[NH+](CCN[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422859472 387744168 /nfs/dbraw/zinc/74/41/68/387744168.db2.gz KCVGQXBRQCYPEF-KGLIPLIRSA-N 2 0 239.407 1.306 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000643526026 387756240 /nfs/dbraw/zinc/75/62/40/387756240.db2.gz NYDDPDBFCYJZRD-MROQNXINSA-N 2 0 226.364 1.674 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000422861527 387745435 /nfs/dbraw/zinc/74/54/35/387745435.db2.gz OIYBONWSBPBFDO-IACUBPJLSA-N 2 0 237.391 1.473 20 0 BDADRP C[C@H](C[C@H]1CCCO1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000422899162 387748762 /nfs/dbraw/zinc/74/87/62/387748762.db2.gz GVSNLMOBLCZDRF-JHJVBQTASA-N 2 0 226.364 1.676 20 0 BDADRP C[C@]1(C[NH2+][C@H]2CCC[C@@H]2[NH3+])CCCS1 ZINC000422871593 387749230 /nfs/dbraw/zinc/74/92/30/387749230.db2.gz DFGXKHRHGAZBKR-GARJFASQSA-N 2 0 214.378 1.742 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H](C)N1CCCC[C@@H]1C ZINC000422869139 387750961 /nfs/dbraw/zinc/75/09/61/387750961.db2.gz WSSWSBMJSHDIRY-HZSPNIEDSA-N 3 0 241.423 1.966 20 0 BDADRP CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](C)[NH3+] ZINC000643525674 387752197 /nfs/dbraw/zinc/75/21/97/387752197.db2.gz AAHUQFDSSJVUCH-YPMHNXCESA-N 2 0 206.333 1.945 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@H]1CCC[NH2+]CC1 ZINC000422873143 387752193 /nfs/dbraw/zinc/75/21/93/387752193.db2.gz KFPWOXUBBHAWJX-DYEKYZERSA-N 2 0 237.391 1.201 20 0 BDADRP CC[C@H]([NH2+][C@H](C)CCCO)[C@@H]1CCC[NH2+]1 ZINC000422874910 387752240 /nfs/dbraw/zinc/75/22/40/387752240.db2.gz OFLJTULDWGEPIP-WOPDTQHZSA-N 2 0 214.353 1.268 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000422802257 387701374 /nfs/dbraw/zinc/70/13/74/387701374.db2.gz DEUNDYWIRVOVBS-JHJVBQTASA-N 2 0 232.327 1.460 20 0 BDADRP CC(=O)Nc1ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000422802600 387701717 /nfs/dbraw/zinc/70/17/17/387701717.db2.gz HOWPJGSCFUAYEA-QWRGUYRKSA-N 2 0 249.358 1.860 20 0 BDADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1n1cccn1)C1C[NH2+]C1 ZINC000422805106 387703349 /nfs/dbraw/zinc/70/33/49/387703349.db2.gz GGMNNLXWUVJLDL-FPMFFAJLSA-N 2 0 248.374 1.564 20 0 BDADRP CC(C)C[C@H](CCO)C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000422804890 387703434 /nfs/dbraw/zinc/70/34/34/387703434.db2.gz IFEDIEVIJCCXLO-MJBXVCDLSA-N 2 0 242.407 1.748 20 0 BDADRP C[C@H](Cc1cccs1)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422808268 387707452 /nfs/dbraw/zinc/70/74/52/387707452.db2.gz OCZZRJWYVPAPLL-NXEZZACHSA-N 2 0 224.373 1.877 20 0 BDADRP C[C@H]1CC[NH2+]C[C@H]1NCC[NH+]1CCCCC1 ZINC000422808651 387707881 /nfs/dbraw/zinc/70/78/81/387707881.db2.gz LHKGKYXMFHNENW-QWHCGFSZSA-N 2 0 225.380 1.060 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CCCCC[C@H]1[NH3+])C(C)C ZINC000422810017 387709339 /nfs/dbraw/zinc/70/93/39/387709339.db2.gz QTNHNMJYESRHNX-FRRDWIJNSA-N 2 0 228.380 1.907 20 0 BDADRP C[C@H]([NH2+][C@H]1CNCC[C@H]1C)C1CC[NH+](C)CC1 ZINC000643520998 387709623 /nfs/dbraw/zinc/70/96/23/387709623.db2.gz WZJFPQVFGLMQFH-DYEKYZERSA-N 2 0 239.407 1.304 20 0 BDADRP CC(C)C[C@H](CCO)C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422813626 387710743 /nfs/dbraw/zinc/71/07/43/387710743.db2.gz YHCPUBMYVBPSNS-XQQFMLRXSA-N 2 0 230.396 1.747 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCN(C)c1ccccc1 ZINC000422814773 387713556 /nfs/dbraw/zinc/71/35/56/387713556.db2.gz WBBIPPGBKFVHAV-CHWSQXEVSA-N 2 0 235.375 1.838 20 0 BDADRP CC[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)C1CCOCC1 ZINC000422816309 387714267 /nfs/dbraw/zinc/71/42/67/387714267.db2.gz ZLQZQZPMFRMQSN-IACUBPJLSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCc1cn2ccccc2n1 ZINC000422820446 387716896 /nfs/dbraw/zinc/71/68/96/387716896.db2.gz QPZBZAAGISSCET-NWDGAFQWSA-N 2 0 246.358 1.592 20 0 BDADRP CC(C)C[NH+]1CCC(N[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000422821454 387717669 /nfs/dbraw/zinc/71/76/69/387717669.db2.gz WHJOTWRHLTZULO-KBPBESRZSA-N 2 0 239.407 1.576 20 0 BDADRP CC(C)C[C@@H](CN[C@H](C)[C@@H]1CCC[NH2+]1)[NH+](C)C ZINC000422821652 387718292 /nfs/dbraw/zinc/71/82/92/387718292.db2.gz XRFIBLPGOHNZBG-RDBSUJKOSA-N 2 0 241.423 1.693 20 0 BDADRP C[C@H]([NH2+]C[C@]1(C)CCCC[C@@H]1O)[C@H]1CCC[NH2+]1 ZINC000422826351 387719637 /nfs/dbraw/zinc/71/96/37/387719637.db2.gz QVOCRZRFVRNYCS-CRWXNKLISA-N 2 0 240.391 1.658 20 0 BDADRP C[C@H]([NH2+]CCCOC1CCCC1)C1C[NH2+]C1 ZINC000422822938 387720897 /nfs/dbraw/zinc/72/08/97/387720897.db2.gz BZLMWCKNTUBKNX-NSHDSACASA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(N(C)C)nc1 ZINC000422825388 387721176 /nfs/dbraw/zinc/72/11/76/387721176.db2.gz ACYVJIXSSUEXIC-QWRGUYRKSA-N 2 0 236.363 1.363 20 0 BDADRP CC[N@H+](CCN[C@H](C)[C@@H]1CCC[NH2+]1)C(C)C ZINC000422876680 387755494 /nfs/dbraw/zinc/75/54/94/387755494.db2.gz GHPJUCKDWKNYKV-OLZOCXBDSA-N 2 0 227.396 1.447 20 0 BDADRP CC(C)[N@H+](C)CCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000422876214 387755516 /nfs/dbraw/zinc/75/55/16/387755516.db2.gz FHHXSCIQAKZTKP-OLZOCXBDSA-N 2 0 227.396 1.576 20 0 BDADRP C[C@@H](N[C@H]1CCC[NH2+]CC1)[C@@H]1CCCC[NH2+]1 ZINC000643523062 387723868 /nfs/dbraw/zinc/72/38/68/387723868.db2.gz UXUCXIAEXMBRQL-AGIUHOORSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000422832849 387726794 /nfs/dbraw/zinc/72/67/94/387726794.db2.gz GHOGTYFOHSXTLS-MCIONIFRSA-N 3 0 241.423 1.966 20 0 BDADRP C[C@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)C1C[NH2+]C1 ZINC000422839180 387728533 /nfs/dbraw/zinc/72/85/33/387728533.db2.gz PTZGXFFVCPSOSJ-DRZSPHRISA-N 2 0 225.380 1.057 20 0 BDADRP C[C@@H](C[NH+]1CCCCC1)N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422836696 387729825 /nfs/dbraw/zinc/72/98/25/387729825.db2.gz RSVWBQZQMZQGIB-IHRRRGAJSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000422842469 387731638 /nfs/dbraw/zinc/73/16/38/387731638.db2.gz YGOXZWOPANSOAA-ZDEQEGDKSA-N 2 0 227.396 1.575 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000422842467 387731968 /nfs/dbraw/zinc/73/19/68/387731968.db2.gz YGOXZWOPANSOAA-RVMXOQNASA-N 2 0 227.396 1.575 20 0 BDADRP CCC[C@@H](NC[C@H](C)[NH3+])c1ccccn1 ZINC000643527795 387755870 /nfs/dbraw/zinc/75/58/70/387755870.db2.gz STWFVVNTSMIZGH-WDEREUQCSA-N 2 0 207.321 1.860 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000422850296 387735917 /nfs/dbraw/zinc/73/59/17/387735917.db2.gz CVUFHLCWFHOKLO-AGIUHOORSA-N 2 0 239.407 1.719 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000643524230 387737035 /nfs/dbraw/zinc/73/70/35/387737035.db2.gz XBFLSVBUTRCPKP-FVCCEPFGSA-N 2 0 226.364 1.804 20 0 BDADRP Cc1cccc(CC[NH2+][C@H](C)C2C[NH2+]C2)c1 ZINC000422852984 387737762 /nfs/dbraw/zinc/73/77/62/387737762.db2.gz YMYYUAZDRAKLPV-GFCCVEGCSA-N 2 0 218.344 1.735 20 0 BDADRP C[C@@H]1C[C@@H](N[C@@H]2CCC[NH2+]CC2)C[N@@H+]1C1CC1 ZINC000422851724 387739033 /nfs/dbraw/zinc/73/90/33/387739033.db2.gz FVBVFBWYTGCGIB-JHJVBQTASA-N 2 0 237.391 1.343 20 0 BDADRP C[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[N@@H+]1C1CC1 ZINC000422858613 387741526 /nfs/dbraw/zinc/74/15/26/387741526.db2.gz GPZVDXRVTLXRIV-SYCZCVCYSA-N 2 0 249.402 1.484 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CCN(C2CCCC2)C1 ZINC000422858819 387742339 /nfs/dbraw/zinc/74/23/39/387742339.db2.gz IVPYSICRBCGFGS-STQMWFEESA-N 3 0 239.407 1.720 20 0 BDADRP C[C@@H]([NH2+][C@H](C)C1CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000422892045 387762375 /nfs/dbraw/zinc/76/23/75/387762375.db2.gz LWASCNCEWQBUGW-WZRBSPASSA-N 2 0 226.364 1.532 20 0 BDADRP [NH3+]CC1CCC([NH2+]Cc2ccc(F)cn2)CC1 ZINC000422896096 387765498 /nfs/dbraw/zinc/76/54/98/387765498.db2.gz XJPPGKJUKGDTTL-UHFFFAOYSA-N 2 0 237.322 1.828 20 0 BDADRP CCC[C@H](C(=O)N(C)CC(C)(C)C[NH3+])[NH+](C)C ZINC000422895051 387766342 /nfs/dbraw/zinc/76/63/42/387766342.db2.gz VDALUNRNKOBUKT-LLVKDONJSA-N 2 0 243.395 1.160 20 0 BDADRP CCC1(CC)[C@H]([NH2+]C[C@@H](C)[NH3+])C[C@@H]1OC ZINC000643527510 387766507 /nfs/dbraw/zinc/76/65/07/387766507.db2.gz NTPHGAGCTSAXLZ-MXWKQRLJSA-N 2 0 214.353 1.517 20 0 BDADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCOC1 ZINC000422895348 387766758 /nfs/dbraw/zinc/76/67/58/387766758.db2.gz FQQIDVIDLSQJHU-AEGPPILISA-N 2 0 248.370 1.571 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CN[C@H]1C[NH2+]CC[C@H]1C ZINC000422909694 387769561 /nfs/dbraw/zinc/76/95/61/387769561.db2.gz OSZGGGJHECWEGY-MCIONIFRSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCc2ccccc21)C1C[NH2+]C1 ZINC000422911455 387770657 /nfs/dbraw/zinc/77/06/57/387770657.db2.gz SVSGLPZRIYXOGB-YPMHNXCESA-N 2 0 230.355 1.914 20 0 BDADRP C[C@@H](O)CC(C)(C)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422926607 387779614 /nfs/dbraw/zinc/77/96/14/387779614.db2.gz XBNZMLWTJJEYIH-GRYCIOLGSA-N 2 0 228.380 1.514 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1CCOC1)[C@H]1CCCC[NH2+]1 ZINC000422900102 387784974 /nfs/dbraw/zinc/78/49/74/387784974.db2.gz PWHYNRVNCSDRPS-FRRDWIJNSA-N 2 0 226.364 1.533 20 0 BDADRP CO[C@@H](C)CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422900701 387786038 /nfs/dbraw/zinc/78/60/38/387786038.db2.gz JWYBTGXTGLAWRA-AXFHLTTASA-N 2 0 200.326 1.142 20 0 BDADRP CCc1nc(CC[NH2+][C@H]2CCC[C@H]2[NH3+])cs1 ZINC000422903374 387787327 /nfs/dbraw/zinc/78/73/27/387787327.db2.gz OLFMJCTYXSERLQ-MNOVXSKESA-N 2 0 239.388 1.717 20 0 BDADRP CC(C)N1CC[C@H]([NH2+][C@H](C)CCCC[NH3+])C1=O ZINC000422982794 387793904 /nfs/dbraw/zinc/79/39/04/387793904.db2.gz RJKYTAOXWCNLLH-NEPJUHHUSA-N 2 0 241.379 1.103 20 0 BDADRP CCc1nn(C)cc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422986440 387795857 /nfs/dbraw/zinc/79/58/57/387795857.db2.gz GUMVKSOTWCBCKS-ZJUUUORDSA-N 2 0 224.352 1.198 20 0 BDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000422990969 387799884 /nfs/dbraw/zinc/79/98/84/387799884.db2.gz OVOHPDPJBYVIAW-NDBYEHHHSA-N 2 0 225.380 1.044 20 0 BDADRP CC[C@@H]([NH2+]CC1(CCOC)CC1)[C@@H]1CCC[NH2+]1 ZINC000422991837 387800368 /nfs/dbraw/zinc/80/03/68/387800368.db2.gz QFHRGCIGXFNFER-OLZOCXBDSA-N 2 0 240.391 1.923 20 0 BDADRP CCC[NH+]1CCC([NH2+]CC2(CCO)CC2)CC1 ZINC000157461151 387800663 /nfs/dbraw/zinc/80/06/63/387800663.db2.gz XMEPNQSDRBBXMD-UHFFFAOYSA-N 2 0 240.391 1.613 20 0 BDADRP C[C@H]([NH2+]CCC[C@H]1CCCC[C@@H]1O)C1C[NH2+]C1 ZINC000422991349 387800908 /nfs/dbraw/zinc/80/09/08/387800908.db2.gz PKSRSMBXXVCDTE-SCRDCRAPSA-N 2 0 240.391 1.515 20 0 BDADRP CC[C@@H](NCCC[N@H+](C)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000422962916 387813362 /nfs/dbraw/zinc/81/33/62/387813362.db2.gz HAARPNZDXXMPLE-KGLIPLIRSA-N 2 0 241.423 1.837 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)[C@H](O)Cc1ccccc1)C1C[NH2+]C1 ZINC000423001405 387805988 /nfs/dbraw/zinc/80/59/88/387805988.db2.gz WXGQZVBIGWBRPP-TYNCELHUSA-N 2 0 248.370 1.176 20 0 BDADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1(C)CCCC1 ZINC000422951891 387806638 /nfs/dbraw/zinc/80/66/38/387806638.db2.gz AQOQOUBPVPMZGV-YNEHKIRRSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC(C)(C)CCO ZINC000423002628 387807489 /nfs/dbraw/zinc/80/74/89/387807489.db2.gz GHZITGUZFMRKTN-NEPJUHHUSA-N 2 0 228.380 1.373 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCc1cccc(F)c1F ZINC000422956840 387809449 /nfs/dbraw/zinc/80/94/49/387809449.db2.gz MEIMCZOTNDVHAA-RYUDHWBXSA-N 2 0 240.297 1.977 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCc1cccc(F)c1F ZINC000422956841 387809614 /nfs/dbraw/zinc/80/96/14/387809614.db2.gz MEIMCZOTNDVHAA-VXGBXAGGSA-N 2 0 240.297 1.977 20 0 BDADRP COc1cccc(C[C@@H](C)[NH2+]C2CC[NH2+]CC2)c1 ZINC000422954269 387810082 /nfs/dbraw/zinc/81/00/82/387810082.db2.gz HTQIUACJZCDTKK-GFCCVEGCSA-N 2 0 248.370 1.968 20 0 BDADRP CC[C@H](CN[C@H]1C[NH2+]CC[C@@H]1C)[NH+]1CCCC1 ZINC000422961232 387811361 /nfs/dbraw/zinc/81/13/61/387811361.db2.gz BEEJXBVQOQOPTQ-MJBXVCDLSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]([NH2+]CCc1cccc(F)c1F)C1C[NH2+]C1 ZINC000422961245 387811564 /nfs/dbraw/zinc/81/15/64/387811564.db2.gz YTCZWDQJRLLCSU-SECBINFHSA-N 2 0 240.297 1.705 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000422880748 387758052 /nfs/dbraw/zinc/75/80/52/387758052.db2.gz MPRPYXMGHDRKQI-CYDGBPFRSA-N 2 0 225.380 1.329 20 0 BDADRP C[C@H](N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422880920 387758225 /nfs/dbraw/zinc/75/82/25/387758225.db2.gz XUEMCGTWQYRBRU-XWUBHJNHSA-N 2 0 237.391 1.199 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CCN1[C@H](C)CCC[C@@H]1C ZINC000422888323 387761374 /nfs/dbraw/zinc/76/13/74/387761374.db2.gz MRAHAVHSCPRMSY-MELADBBJSA-N 2 0 241.423 1.966 20 0 BDADRP CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)CCC[NH3+] ZINC000422972138 387821175 /nfs/dbraw/zinc/82/11/75/387821175.db2.gz ZPIZYDPVXHGWIN-UPJWGTAASA-N 2 0 228.380 1.765 20 0 BDADRP CC(C)[C@](C)(O)C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422974568 387822779 /nfs/dbraw/zinc/82/27/79/387822779.db2.gz FJPQQSRCVKVCGJ-FRRDWIJNSA-N 2 0 228.380 1.371 20 0 BDADRP CN1CCC([NH2+]CCC2CC[NH+](C)CC2)CC1 ZINC000135732867 387823059 /nfs/dbraw/zinc/82/30/59/387823059.db2.gz QFUNHNMKBSVMNS-UHFFFAOYSA-N 2 0 239.407 1.402 20 0 BDADRP C[NH+](C)[C@H]1CCC[N@H+](CC[C@@H]2CCOC2)CC1 ZINC000432795368 387823141 /nfs/dbraw/zinc/82/31/41/387823141.db2.gz WLPRXZIGDZLZMW-KGLIPLIRSA-N 2 0 240.391 1.829 20 0 BDADRP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000423003208 387825927 /nfs/dbraw/zinc/82/59/27/387825927.db2.gz LBNSGFVCELLGCS-UPJWGTAASA-N 2 0 242.407 1.747 20 0 BDADRP C[C@@H](Cc1ccoc1)[NH2+]C1CC[NH2+]CC1 ZINC000423004778 387825953 /nfs/dbraw/zinc/82/59/53/387825953.db2.gz KSCGBHAVNFCVLH-JTQLQIEISA-N 2 0 208.305 1.552 20 0 BDADRP CCOCCC1(C[NH2+][C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000423005784 387827960 /nfs/dbraw/zinc/82/79/60/387827960.db2.gz STLHZIDUAAQMNU-VXGBXAGGSA-N 2 0 228.380 1.909 20 0 BDADRP CC[C@H](C[C@H](C)CO)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423007124 387828091 /nfs/dbraw/zinc/82/80/91/387828091.db2.gz PVGOYGPEICNXID-UMSGYPCISA-N 2 0 228.380 1.514 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCc1ccncc1 ZINC000423007153 387829755 /nfs/dbraw/zinc/82/97/55/387829755.db2.gz QAENYUXSQPBXEA-KBPBESRZSA-N 2 0 233.359 1.874 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCCC(C)(C)CO ZINC000423006085 387830125 /nfs/dbraw/zinc/83/01/25/387830125.db2.gz NXUVPZJUWLEPAO-WDEREUQCSA-N 2 0 216.369 1.501 20 0 BDADRP CC[C@H]([NH2+]CCCC(C)(C)CO)[C@@H]1CCC[NH2+]1 ZINC000423008562 387832094 /nfs/dbraw/zinc/83/20/94/387832094.db2.gz TXKIFWWWRCEWQI-STQMWFEESA-N 2 0 242.407 1.905 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@@H](CO)c1ccccc1 ZINC000423011404 387833580 /nfs/dbraw/zinc/83/35/80/387833580.db2.gz ZLKFXINIWXWMQP-WZRBSPASSA-N 2 0 222.332 1.435 20 0 BDADRP C[N@H+](CCOCC1CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442760133 387834139 /nfs/dbraw/zinc/83/41/39/387834139.db2.gz FYRJQGCHLOTWDT-PBWFPOADSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCN(C)c1ccccc1 ZINC000442765893 387834267 /nfs/dbraw/zinc/83/42/67/387834267.db2.gz KATQLMUJOFGHAI-KGLIPLIRSA-N 2 0 247.386 1.792 20 0 BDADRP CCc1noc(C)c1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442752680 387835096 /nfs/dbraw/zinc/83/50/96/387835096.db2.gz FGTAVSBSJXBWSL-ONGXEEELSA-N 2 0 237.347 1.715 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1CCC[C@@H]1OC)[C@@H]1CCC[NH2+]1 ZINC000423012875 387835249 /nfs/dbraw/zinc/83/52/49/387835249.db2.gz DWKSGXCJXDHVCK-XUXIUFHCSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCO[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000423015343 387838840 /nfs/dbraw/zinc/83/88/40/387838840.db2.gz KKJDASUSAHUVBU-WYUUTHIRSA-N 2 0 212.337 1.284 20 0 BDADRP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H](C)C2C[NH2+]C2)C1(C)C ZINC000423016693 387840802 /nfs/dbraw/zinc/84/08/02/387840802.db2.gz NEOXOUWVCBWLHA-PKZYVASSSA-N 2 0 226.364 1.243 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCCN(C)[C@H]1C ZINC000423027514 387843104 /nfs/dbraw/zinc/84/31/04/387843104.db2.gz DJFPSAZITXEWRT-WOPDTQHZSA-N 2 0 213.369 1.186 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCCS1 ZINC000423028580 387846951 /nfs/dbraw/zinc/84/69/51/387846951.db2.gz GUDBKGBICJHFHC-GMTAPVOTSA-N 2 0 214.378 1.742 20 0 BDADRP C[C@@H](O)C[C@@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423034684 387848363 /nfs/dbraw/zinc/84/83/63/387848363.db2.gz QHJUUAMGWZLKKD-QYNFOATHSA-N 2 0 214.353 1.253 20 0 BDADRP C[C@H]1[C@@H]([NH2+]C2CCC(C[NH3+])CC2)CCCN1C ZINC000423037689 387850922 /nfs/dbraw/zinc/85/09/22/387850922.db2.gz WQEGRJGSJRHQGX-ABXWRUBCSA-N 3 0 239.407 1.576 20 0 BDADRP CCC(CC)(C[NH2+][C@@H](C)C1C[NH2+]C1)C(=O)OC ZINC000423034876 387851253 /nfs/dbraw/zinc/85/12/53/387851253.db2.gz IRJWAGMBGJPJJI-JTQLQIEISA-N 2 0 242.363 1.163 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000423035489 387851274 /nfs/dbraw/zinc/85/12/74/387851274.db2.gz RNDPAUFHRSPZLH-JHJVBQTASA-N 2 0 226.364 1.663 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC[C@H]1CCOC1 ZINC000423035492 387851592 /nfs/dbraw/zinc/85/15/92/387851592.db2.gz RNDPAUFHRSPZLH-XQQFMLRXSA-N 2 0 226.364 1.663 20 0 BDADRP CC1=CCN(CC[NH2+][C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000423039146 387852776 /nfs/dbraw/zinc/85/27/76/387852776.db2.gz PXZPMTDXTHEKLU-QWHCGFSZSA-N 2 0 223.364 1.108 20 0 BDADRP CC1=CCN(CC[NH2+][C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000423038785 387852854 /nfs/dbraw/zinc/85/28/54/387852854.db2.gz PBBBXXDNXYUSAK-UONOGXRCSA-N 2 0 237.391 1.355 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(CO)CCC1 ZINC000423038993 387853462 /nfs/dbraw/zinc/85/34/62/387853462.db2.gz ZOWPVBHBJRPPGV-NWDGAFQWSA-N 2 0 226.364 1.127 20 0 BDADRP CCC(CC)(C[NH2+][C@H]1CCC[C@H]1[NH3+])C(=O)OC ZINC000423038464 387853936 /nfs/dbraw/zinc/85/39/36/387853936.db2.gz OKBJYIHGIQMTBF-MNOVXSKESA-N 2 0 242.363 1.435 20 0 BDADRP CC1=CCN(CC[NH2+][C@H](C)C[C@H](C)[NH3+])CC1 ZINC000423039275 387854063 /nfs/dbraw/zinc/85/40/63/387854063.db2.gz QAKLMLZJFXKBAP-QWHCGFSZSA-N 2 0 225.380 1.354 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000423042331 387854980 /nfs/dbraw/zinc/85/49/80/387854980.db2.gz KPKBOVWUEJUPMK-UTUOFQBUSA-N 2 0 212.337 1.415 20 0 BDADRP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)[C@@H]1CCCOC1 ZINC000423042937 387855270 /nfs/dbraw/zinc/85/52/70/387855270.db2.gz MRHVPRYWTLEVHJ-NELGMTEASA-N 2 0 240.391 1.909 20 0 BDADRP C1CC1C([NH2+][C@@H]1CC12CC[NH2+]CC2)C1CC1 ZINC000643534733 387860087 /nfs/dbraw/zinc/86/00/87/387860087.db2.gz BEOJZANFWOVLTN-GFCCVEGCSA-N 2 0 220.360 1.907 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643535098 387861227 /nfs/dbraw/zinc/86/12/27/387861227.db2.gz IZQFQLCAKCOYDK-GMTAPVOTSA-N 2 0 212.337 1.142 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CCC[C@H]2[NH3+])CCO[C@@H]1C1CC1 ZINC000423057481 387862040 /nfs/dbraw/zinc/86/20/40/387862040.db2.gz ZXSCZCLYRXKQRN-AAVRWANBSA-N 2 0 238.375 1.661 20 0 BDADRP C/C=C\C[C@H](CO)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423053692 387862051 /nfs/dbraw/zinc/86/20/51/387862051.db2.gz SHXITVUSIVOVQM-FTLJSSRASA-N 2 0 226.364 1.421 20 0 BDADRP Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000423059725 387864273 /nfs/dbraw/zinc/86/42/73/387864273.db2.gz MUVLMFNENZJKOA-RBSFLKMASA-N 2 0 248.370 1.368 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1NCC1([NH+](C)C)CCC1 ZINC000423059445 387865915 /nfs/dbraw/zinc/86/59/15/387865915.db2.gz LROBXBFALURHHI-CHWSQXEVSA-N 2 0 239.407 1.448 20 0 BDADRP CC[C@@H](CO)[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423058256 387865969 /nfs/dbraw/zinc/86/59/69/387865969.db2.gz JBXBRAWXSMFJCA-FPMFFAJLSA-N 2 0 236.359 1.305 20 0 BDADRP C[C@H](N[C@@H]1CC12CC[NH2+]CC2)[C@@H]1CCCC[NH2+]1 ZINC000643535852 387866444 /nfs/dbraw/zinc/86/64/44/387866444.db2.gz JWDGDHCQNIULNB-RWMBFGLXSA-N 2 0 237.391 1.249 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000423063413 387868155 /nfs/dbraw/zinc/86/81/55/387868155.db2.gz WLJFBNGFSUUADW-RGDJUOJXSA-N 2 0 238.375 1.804 20 0 BDADRP CCOC[C@H]([NH2+][C@H](C)C1C[NH2+]C1)C(C)C ZINC000423074063 387874699 /nfs/dbraw/zinc/87/46/99/387874699.db2.gz TVGSSFQMPUAVRL-PWSUYJOCSA-N 2 0 214.353 1.245 20 0 BDADRP CC(C)[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])C(C)(C)O ZINC000423068267 387869406 /nfs/dbraw/zinc/86/94/06/387869406.db2.gz BIZMPDLJWWTZGG-MXWKQRLJSA-N 2 0 216.369 1.497 20 0 BDADRP CCC(O)(CC)CC[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000423065210 387870681 /nfs/dbraw/zinc/87/06/81/387870681.db2.gz BBPXBPYSDRJTRM-QWRGUYRKSA-N 2 0 214.353 1.397 20 0 BDADRP CC[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccn(C)n1 ZINC000643537040 387871503 /nfs/dbraw/zinc/87/15/03/387871503.db2.gz YISXSUGZUCESOL-DGCLKSJQSA-N 2 0 248.374 1.603 20 0 BDADRP CCOC1CC(CC[NH2+][C@H](C)CCC[NH3+])C1 ZINC000423070417 387871669 /nfs/dbraw/zinc/87/16/69/387871669.db2.gz NGSCPSHJBRGTCA-PNESKVBLSA-N 2 0 228.380 1.909 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1CC[C@@H](O)C1)[C@@H]1CCC[NH2+]1 ZINC000423069533 387872280 /nfs/dbraw/zinc/87/22/80/387872280.db2.gz LWHQLZDCOYSWGQ-RNJOBUHISA-N 2 0 226.364 1.268 20 0 BDADRP CC[C@@H](C[NH2+][C@H](C)CCC[NH3+])N1CCCC1 ZINC000422963411 387813877 /nfs/dbraw/zinc/81/38/77/387813877.db2.gz IMUQONFCXVOKCM-OLZOCXBDSA-N 2 0 227.396 1.578 20 0 BDADRP c1coc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422963054 387814292 /nfs/dbraw/zinc/81/42/92/387814292.db2.gz HGPLMKUPDSTRLH-FOSCPWQOSA-N 2 0 220.316 1.695 20 0 BDADRP COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1O ZINC000422966956 387815583 /nfs/dbraw/zinc/81/55/83/387815583.db2.gz AYNAKROVLCKPIO-ZJUUUORDSA-N 2 0 238.331 1.616 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000422965657 387817105 /nfs/dbraw/zinc/81/71/05/387817105.db2.gz PDVYAOZMCFWSJQ-TUAOUCFPSA-N 2 0 239.363 1.598 20 0 BDADRP CC[C@@H]([NH2+]CCC1(O)CCC1)[C@@H]1CCC[NH2+]1 ZINC000423102397 387889953 /nfs/dbraw/zinc/88/99/53/387889953.db2.gz KEZADEAZNFZIEP-NEPJUHHUSA-N 2 0 226.364 1.412 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000423106963 387890462 /nfs/dbraw/zinc/89/04/62/387890462.db2.gz KCLPLUZRKUMGRI-JXUBOQSCSA-N 2 0 218.291 1.890 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000423106662 387891887 /nfs/dbraw/zinc/89/18/87/387891887.db2.gz KCLPLUZRKUMGRI-JLIMGVALSA-N 2 0 218.291 1.890 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423109695 387893043 /nfs/dbraw/zinc/89/30/43/387893043.db2.gz NZXIYQRIBCLMJB-VOAKCMCISA-N 2 0 226.364 1.389 20 0 BDADRP C[C@H]([NH2+]CCC1(F)CCC1)[C@H]1CCC[NH2+]1 ZINC000423110251 387893383 /nfs/dbraw/zinc/89/33/83/387893383.db2.gz PADNXBYNHDRIRP-WDEREUQCSA-N 2 0 214.328 1.999 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CC1C[C@H](C)O[C@@H](C)C1 ZINC000423114246 387895864 /nfs/dbraw/zinc/89/58/64/387895864.db2.gz ZBIPJDMFHUMPPG-WOPDTQHZSA-N 2 0 228.380 1.907 20 0 BDADRP CC(C)[C@H](CO)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000423113939 387896011 /nfs/dbraw/zinc/89/60/11/387896011.db2.gz UZYBWXLLOGEPAH-CPCZMJQVSA-N 2 0 228.380 1.358 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCCOC(F)F ZINC000423116744 387897630 /nfs/dbraw/zinc/89/76/30/387897630.db2.gz RKGNTIDYANVYNA-NXEZZACHSA-N 2 0 236.306 1.593 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CSC[C@@H]1C ZINC000423115968 387897788 /nfs/dbraw/zinc/89/77/88/387897788.db2.gz ZHBDJRLKFDUFQD-AATLWQCWSA-N 2 0 202.367 1.453 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H](C)c1ccncc1 ZINC000643460308 387875584 /nfs/dbraw/zinc/87/55/84/387875584.db2.gz NTWAJUGFYFXDST-WOPDTQHZSA-N 2 0 221.348 1.901 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCC2CC(O)C2)c2ccccc21 ZINC000423078416 387875995 /nfs/dbraw/zinc/87/59/95/387875995.db2.gz VZZPAAKLNQNSRF-FWFPMQDGSA-N 2 0 246.354 1.882 20 0 BDADRP C[C@H]1CN(C)C[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424174879 387878275 /nfs/dbraw/zinc/87/82/75/387878275.db2.gz PPEPJTCKMORIJH-PYJNHQTQSA-N 2 0 222.376 1.962 20 0 BDADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CN[C@H]1CCC[C@@H]1[NH3+] ZINC000423085867 387880143 /nfs/dbraw/zinc/88/01/43/387880143.db2.gz LRQXJGFSGHBOSB-AVGNSLFASA-N 2 0 239.407 1.576 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000423088839 387881287 /nfs/dbraw/zinc/88/12/87/387881287.db2.gz QXAZHXOWWUUGSW-NWDGAFQWSA-N 3 0 239.407 1.576 20 0 BDADRP CC(C)SCC[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000423099763 387886899 /nfs/dbraw/zinc/88/68/99/387886899.db2.gz AYRKPPJCROVKPF-GRYCIOLGSA-N 2 0 246.420 1.470 20 0 BDADRP C[C@@H]([NH2+]CCC1(F)CCC1)C1C[NH2+]C1 ZINC000423101177 387888727 /nfs/dbraw/zinc/88/87/27/387888727.db2.gz COYZKPUMCLWPKJ-SECBINFHSA-N 2 0 200.301 1.466 20 0 BDADRP Cc1cc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])n(C)n1 ZINC000423101159 387889069 /nfs/dbraw/zinc/88/90/69/387889069.db2.gz IEXFHFSOCOFFBC-YPMHNXCESA-N 2 0 236.363 1.336 20 0 BDADRP Cc1cccc2c1OC[C@H]([NH2+][C@@H]1CCC[C@@H]1[NH3+])C2 ZINC000423140342 387917954 /nfs/dbraw/zinc/91/79/54/387917954.db2.gz MNMYBLFSAITFJY-HZSPNIEDSA-N 2 0 246.354 1.768 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000423140390 387918045 /nfs/dbraw/zinc/91/80/45/387918045.db2.gz YBTJDIRWOAUDOP-GHMZBOCLSA-N 2 0 237.347 1.955 20 0 BDADRP CC(C)[N@@H+](C)C[C@@H](C)N[C@@H](C)C[C@H](C)[NH3+] ZINC000423119458 387900330 /nfs/dbraw/zinc/90/03/30/387900330.db2.gz CKLIUTQPKVLITO-SDDRHHMPSA-N 2 0 215.385 1.431 20 0 BDADRP CC(C)[N@@H+](C)C[C@H](C)N[C@H](C)C[C@H](C)[NH3+] ZINC000423119460 387900495 /nfs/dbraw/zinc/90/04/95/387900495.db2.gz CKLIUTQPKVLITO-TUAOUCFPSA-N 2 0 215.385 1.431 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1COc2ccccc21 ZINC000423121190 387901689 /nfs/dbraw/zinc/90/16/89/387901689.db2.gz IEICQZGLEVJCFJ-OBJOEFQTSA-N 2 0 246.354 1.880 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCC1(F)CCC1 ZINC000423123700 387902057 /nfs/dbraw/zinc/90/20/57/387902057.db2.gz LQJXPXDUDNZSKH-WDEREUQCSA-N 2 0 214.328 1.986 20 0 BDADRP CCOCC(C)(C)C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000423125439 387902569 /nfs/dbraw/zinc/90/25/69/387902569.db2.gz QKUJQIACXUYPFS-SNVBAGLBSA-N 2 0 214.353 1.247 20 0 BDADRP COCC(C)(C)C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000423123876 387902712 /nfs/dbraw/zinc/90/27/12/387902712.db2.gz FJMVBDSFKNJEFZ-VXGBXAGGSA-N 2 0 228.380 1.909 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000423130985 387907063 /nfs/dbraw/zinc/90/70/63/387907063.db2.gz HIZQBVKTZJGBOT-KBPBESRZSA-N 3 0 239.407 1.722 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)C1C[NH2+]C1 ZINC000423129136 387907081 /nfs/dbraw/zinc/90/70/81/387907081.db2.gz DTPXBQISVBQRLM-WHOFXGATSA-N 2 0 230.355 1.988 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@H](F)C1)[C@@H]1CCC[NH2+]1 ZINC000423130406 387907966 /nfs/dbraw/zinc/90/79/66/387907966.db2.gz SEDNGZQCUDNCLZ-MMWGEVLESA-N 2 0 200.301 1.607 20 0 BDADRP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H](C[NH3+])C2CC2)cc1 ZINC000514668014 387909017 /nfs/dbraw/zinc/90/90/17/387909017.db2.gz RHZJSPINWIISGZ-ZANVPECISA-N 2 0 247.342 1.173 20 0 BDADRP COc1ncccc1CC[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000423132111 387909604 /nfs/dbraw/zinc/90/96/04/387909604.db2.gz BNQJDYJFNYSNNA-RYUDHWBXSA-N 2 0 235.331 1.102 20 0 BDADRP CC(C)C[C@@H]([NH3+])C(=O)NCC(C)(C)C[NH+](C)C ZINC000019429213 387909719 /nfs/dbraw/zinc/90/97/19/387909719.db2.gz XAGHWALOSPFSNU-LLVKDONJSA-N 2 0 243.395 1.064 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000423135208 387912719 /nfs/dbraw/zinc/91/27/19/387912719.db2.gz FNNZXLABHVHHKD-MELADBBJSA-N 2 0 241.423 1.694 20 0 BDADRP COCC1(CC[NH2+][C@H]2CCC[C@@H]2C[NH3+])CCC1 ZINC000423135616 387913229 /nfs/dbraw/zinc/91/32/29/387913229.db2.gz OBJGBPXBAGJQAM-OLZOCXBDSA-N 2 0 240.391 1.910 20 0 BDADRP CC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)OC ZINC000423137088 387914502 /nfs/dbraw/zinc/91/45/02/387914502.db2.gz HORJWNLCRXOVCG-MBYGNEARSA-N 2 0 212.337 1.284 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](CO)C2CC2)c2ccccc21 ZINC000423135233 387914760 /nfs/dbraw/zinc/91/47/60/387914760.db2.gz FRLTXBSWDPRAIZ-NILFDRSVSA-N 2 0 246.354 1.739 20 0 BDADRP COc1ncccc1CC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000423142077 387917543 /nfs/dbraw/zinc/91/75/43/387917543.db2.gz TXFBXJKSOHMGBE-CYBMUJFWSA-N 2 0 249.358 1.364 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000423151253 387930283 /nfs/dbraw/zinc/93/02/83/387930283.db2.gz CEZKPZRAOFFUHZ-VOAKCMCISA-N 2 0 226.364 1.255 20 0 BDADRP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000423155573 387934272 /nfs/dbraw/zinc/93/42/72/387934272.db2.gz QTZDOKQXMJJOIF-OBPIAQAESA-N 2 0 226.364 1.374 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000423154843 387934356 /nfs/dbraw/zinc/93/43/56/387934356.db2.gz KDEIHARKUHFWGZ-WHOHXGKFSA-N 2 0 214.353 1.253 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC1(CO)CCC1 ZINC000643480605 387936016 /nfs/dbraw/zinc/93/60/16/387936016.db2.gz FMTMABVEGOUUDD-VXGBXAGGSA-N 2 0 226.364 1.399 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)[C@@H]([NH3+])C(C)C)c1 ZINC000424219406 387936567 /nfs/dbraw/zinc/93/65/67/387936567.db2.gz ALHYROMEDSTVIS-LBPRGKRZSA-N 2 0 235.331 1.376 20 0 BDADRP CCC[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)OC ZINC000423142695 387920718 /nfs/dbraw/zinc/92/07/18/387920718.db2.gz BFMPDWANDRQTTK-JHJVBQTASA-N 2 0 228.380 1.779 20 0 BDADRP C[N@H+](CCCC[NH2+][C@H]1CCC[C@@H]1C[NH3+])C1CC1 ZINC000423163835 387923738 /nfs/dbraw/zinc/92/37/38/387923738.db2.gz NPAMZXZWMOLLCO-OCCSQVGLSA-N 3 0 239.407 1.578 20 0 BDADRP Cc1cc(C)c(C[NH2+][C@H](C)C[C@H](C)[NH3+])cn1 ZINC000423150345 387926907 /nfs/dbraw/zinc/92/69/07/387926907.db2.gz BQHYFIUPDXRTKO-CMPLNLGQSA-N 2 0 221.348 1.914 20 0 BDADRP C[C@H](CC(C)(C)O)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423149219 387926918 /nfs/dbraw/zinc/92/69/18/387926918.db2.gz ABXAWUCCWRUNED-VOMCLLRMSA-N 2 0 228.380 1.643 20 0 BDADRP Cc1cccnc1CC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000423151321 387928964 /nfs/dbraw/zinc/92/89/64/387928964.db2.gz JUXFHOYPGMTSTR-KBPBESRZSA-N 2 0 247.386 1.910 20 0 BDADRP C[C@@H](CCO)CC[NH2+]C1CCC(C[NH3+])CC1 ZINC000423151108 387929200 /nfs/dbraw/zinc/92/92/00/387929200.db2.gz ZUAWEOVFJPQYNA-PNESKVBLSA-N 2 0 228.380 1.502 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000423167895 387953338 /nfs/dbraw/zinc/95/33/38/387953338.db2.gz FZOKAXLTRYAAGE-GHMZBOCLSA-N 3 0 232.331 1.550 20 0 BDADRP C[C@H](NCC[N@H+]1CC=CCC1)[C@@H]1CCCC[NH2+]1 ZINC000392322588 387954540 /nfs/dbraw/zinc/95/45/40/387954540.db2.gz VYAZSJHQDCRTKM-KBPBESRZSA-N 2 0 237.391 1.369 20 0 BDADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCCO1 ZINC000423157996 387938390 /nfs/dbraw/zinc/93/83/90/387938390.db2.gz NLCNGWLWNIGZQL-BPLDGKMQSA-N 2 0 248.370 1.714 20 0 BDADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1C[C@@H](O)C1 ZINC000423161639 387943315 /nfs/dbraw/zinc/94/33/15/387943315.db2.gz JLYBHDWGDOQXEB-ZDEQEGDKSA-N 2 0 226.364 1.410 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@@H](CO)C1)[C@H]1CCCC[NH2+]1 ZINC000423161160 387943592 /nfs/dbraw/zinc/94/35/92/387943592.db2.gz RLZUYJMDWKIIPY-QNWHQSFQSA-N 2 0 226.364 1.268 20 0 BDADRP CC[C@H](C)[C@H](C[NH2+][C@H]1CCC[C@H]1[NH3+])OC ZINC000423162891 387945069 /nfs/dbraw/zinc/94/50/69/387945069.db2.gz URQILDMWKMZKOM-USZNOCQGSA-N 2 0 214.353 1.517 20 0 BDADRP C[C@@H]([NH2+]CCC[C@@H]1CCOC1)[C@H]1CCCC[NH2+]1 ZINC000423163044 387945503 /nfs/dbraw/zinc/94/55/03/387945503.db2.gz QJWCYJUMVYYGKB-MGPQQGTHSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]([NH2+]CCC[C@@H]1CCOC1)[C@@H]1CCCC[NH2+]1 ZINC000423162843 387946264 /nfs/dbraw/zinc/94/62/64/387946264.db2.gz QJWCYJUMVYYGKB-MCIONIFRSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000423164099 387946374 /nfs/dbraw/zinc/94/63/74/387946374.db2.gz NVRVUVRGFYGISZ-WUHRBBMRSA-N 2 0 226.364 1.125 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCOCC1CCCC1 ZINC000423163023 387946824 /nfs/dbraw/zinc/94/68/24/387946824.db2.gz MEBCXHXGCCKHET-OLZOCXBDSA-N 2 0 226.364 1.663 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H](O)C1CCC1 ZINC000423165723 387947856 /nfs/dbraw/zinc/94/78/56/387947856.db2.gz QEVVMHUCPSCKPZ-WXHSDQCUSA-N 2 0 226.364 1.125 20 0 BDADRP COCC[C@H](C)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423165602 387948404 /nfs/dbraw/zinc/94/84/04/387948404.db2.gz BGUSJERKBAFARG-SDDRHHMPSA-N 2 0 214.353 1.389 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1COCC1(C)C ZINC000423165771 387948787 /nfs/dbraw/zinc/94/87/87/387948787.db2.gz UVKIQGBMDJXDRF-IVZWLZJFSA-N 2 0 200.326 1.127 20 0 BDADRP COC[C@@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245449877 387949800 /nfs/dbraw/zinc/94/98/00/387949800.db2.gz OCPOSKNVEZFTKM-KGLIPLIRSA-N 2 0 240.391 1.829 20 0 BDADRP COCC1(C[NH2+][C@H]2CCC[C@@H]2[NH3+])CCCC1 ZINC000423166597 387950789 /nfs/dbraw/zinc/95/07/89/387950789.db2.gz RFDFOIKCICSXAJ-RYUDHWBXSA-N 2 0 226.364 1.663 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCC[NH2+]1 ZINC000423170887 387957956 /nfs/dbraw/zinc/95/79/56/387957956.db2.gz NAEWIVHUIZEIFZ-RDBSUJKOSA-N 3 0 239.407 1.448 20 0 BDADRP CCSCC[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424298579 387958682 /nfs/dbraw/zinc/95/86/82/387958682.db2.gz DOOADACLWZAOFG-NXEZZACHSA-N 2 0 202.367 1.599 20 0 BDADRP COC1CCC([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000423172869 387959540 /nfs/dbraw/zinc/95/95/40/387959540.db2.gz VTTYYAPBDITQMH-XVSSEFHLSA-N 2 0 226.364 1.674 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]Cc1nnc(C(C)(C)C)[nH]1 ZINC000423172748 387959611 /nfs/dbraw/zinc/95/96/11/387959611.db2.gz UZBWAODQTBXXEJ-SECBINFHSA-N 2 0 239.367 1.319 20 0 BDADRP COC1CCC([NH2+][C@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000423172867 387960149 /nfs/dbraw/zinc/96/01/49/387960149.db2.gz VTTYYAPBDITQMH-IKWCTNDRSA-N 2 0 226.364 1.674 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H](C)O[C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000423176491 387961456 /nfs/dbraw/zinc/96/14/56/387961456.db2.gz GCQWOMJNJXVTCQ-HTOAHKCRSA-N 2 0 240.391 1.920 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000423176496 387961476 /nfs/dbraw/zinc/96/14/76/387961476.db2.gz GCQWOMJNJXVTCQ-RKQHYHRCSA-N 2 0 240.391 1.920 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000424301142 387962081 /nfs/dbraw/zinc/96/20/81/387962081.db2.gz XERDBSJLKUVRJJ-CHWSQXEVSA-N 3 0 225.380 1.236 20 0 BDADRP CC(C)NC(=O)[C@@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423175512 387962107 /nfs/dbraw/zinc/96/21/07/387962107.db2.gz DSXVLXIPZWMHOD-VOMCLLRMSA-N 2 0 241.379 1.007 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000424302557 387962257 /nfs/dbraw/zinc/96/22/57/387962257.db2.gz ZWQYHRVOEXGGQV-QJPTWQEYSA-N 2 0 212.337 1.415 20 0 BDADRP Cc1nc2c(s1)[C@@H]([NH2+]CCC[NH3+])CCC2 ZINC000423178334 387964107 /nfs/dbraw/zinc/96/41/07/387964107.db2.gz BURYGUKTSUHAFV-VIFPVBQESA-N 2 0 225.361 1.767 20 0 BDADRP [NH3+]CCC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000423180062 387965930 /nfs/dbraw/zinc/96/59/30/387965930.db2.gz DWPXDGJDTGWBLQ-QWRGUYRKSA-N 2 0 202.317 1.843 20 0 BDADRP CC(C)[C@@H]([NH2+]CCC[NH3+])c1cccnc1 ZINC000423195462 387980203 /nfs/dbraw/zinc/98/02/03/387980203.db2.gz SPDVGLGCVJXYQR-GFCCVEGCSA-N 2 0 207.321 1.717 20 0 BDADRP COC(=O)c1csc([C@H](C)[NH2+]CCC[NH3+])c1 ZINC000423190771 387975430 /nfs/dbraw/zinc/97/54/30/387975430.db2.gz OFKKXMBCMLYQDY-QMMMGPOBSA-N 2 0 242.344 1.534 20 0 BDADRP NC(=O)c1cccc(CN[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000424331378 387977334 /nfs/dbraw/zinc/97/73/34/387977334.db2.gz JSHUMSLZPOYTGL-CHWSQXEVSA-N 2 0 247.342 1.145 20 0 BDADRP [NH3+]CCC[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000423192093 387977491 /nfs/dbraw/zinc/97/74/91/387977491.db2.gz PHZKNMFILXGILU-LBPRGKRZSA-N 2 0 220.316 1.708 20 0 BDADRP COC[C@H](CC(C)C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424362579 387989618 /nfs/dbraw/zinc/98/96/18/387989618.db2.gz AHOXXLLPBYZEDP-YNEHKIRRSA-N 2 0 228.380 1.907 20 0 BDADRP C[NH2+]CCCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000423205086 387991577 /nfs/dbraw/zinc/99/15/77/387991577.db2.gz VGBOLNCYDCUUFC-YNEHKIRRSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cccc(CO)c1 ZINC000423204725 387991737 /nfs/dbraw/zinc/99/17/37/387991737.db2.gz DNYDGXAWPMJTSD-GXTWGEPZSA-N 2 0 248.370 1.829 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1NCC1([NH3+])CCCCCC1 ZINC000423208503 387993769 /nfs/dbraw/zinc/99/37/69/387993769.db2.gz YVYIWNNEGVLBLP-CHWSQXEVSA-N 2 0 239.407 1.755 20 0 BDADRP C[C@H](CC(C)(C)C)[NH2+]CCN1CC[NH2+]CC1 ZINC000423207579 387994118 /nfs/dbraw/zinc/99/41/18/387994118.db2.gz RYAOLWBHWNNFCY-GFCCVEGCSA-N 2 0 227.396 1.306 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424369570 387994846 /nfs/dbraw/zinc/99/48/46/387994846.db2.gz RHNANCJPJZGICT-FDYHWXHSSA-N 2 0 225.380 1.377 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])CS1 ZINC000423196149 387981950 /nfs/dbraw/zinc/98/19/50/387981950.db2.gz ZBNCHCXPMSAESG-XFWSIPNHSA-N 2 0 200.351 1.350 20 0 BDADRP CCC1(CC)[C@H]([NH2+]CCC[NH2+]C)C[C@@H]1OC ZINC000423198721 387984165 /nfs/dbraw/zinc/98/41/65/387984165.db2.gz HLVRTQJADOUUAV-NEPJUHHUSA-N 2 0 228.380 1.779 20 0 BDADRP CCN1C[C@H](C)[C@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000423211343 387995736 /nfs/dbraw/zinc/99/57/36/387995736.db2.gz GXHBGHIOBSGKTJ-YWPUVAFDSA-N 3 0 225.380 1.186 20 0 BDADRP C[C@H](NC[C@@H]1CCC[NH2+]C1)[C@H]1CCCC[NH2+]1 ZINC000423214872 387997270 /nfs/dbraw/zinc/99/72/70/387997270.db2.gz PUGYRBNEUYADPU-YNEHKIRRSA-N 2 0 225.380 1.106 20 0 BDADRP C[C@H](NC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCC[NH2+]1 ZINC000423214871 387997359 /nfs/dbraw/zinc/99/73/59/387997359.db2.gz PUGYRBNEUYADPU-XQQFMLRXSA-N 2 0 225.380 1.106 20 0 BDADRP COCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[NH2+]C1 ZINC000423215781 387997445 /nfs/dbraw/zinc/99/74/45/387997445.db2.gz OVPFNSUURLNVGT-QJPTWQEYSA-N 2 0 212.337 1.143 20 0 BDADRP CC[N@@H+]1C[C@@H](C)[C@@H](N[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000424373579 387997596 /nfs/dbraw/zinc/99/75/96/387997596.db2.gz JTFSDXAQQHUTNC-LPWJVIDDSA-N 2 0 225.380 1.186 20 0 BDADRP FCCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[NH2+]C1 ZINC000423215132 387997902 /nfs/dbraw/zinc/99/79/02/387997902.db2.gz NLKILTPBWONLSC-QJPTWQEYSA-N 2 0 214.328 1.856 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])[C@@H]1CCOC1 ZINC000424376066 387999770 /nfs/dbraw/zinc/99/97/70/387999770.db2.gz OJTVTYGRMPUCJQ-DDHJBXDOSA-N 2 0 212.337 1.271 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424383490 388001520 /nfs/dbraw/zinc/00/15/20/388001520.db2.gz UGFJEKOWDIIFBT-MJBXVCDLSA-N 2 0 240.391 1.766 20 0 BDADRP C[C@H]([NH3+])CCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423226563 388009343 /nfs/dbraw/zinc/00/93/43/388009343.db2.gz REHKSGPCAMNLLM-REWJHTLYSA-N 2 0 239.407 1.624 20 0 BDADRP C[C@H]1C[C@H](N[C@@H]2CCCC[C@H]2[NH3+])C[N@@H+]1C1CC1 ZINC000424371333 387996307 /nfs/dbraw/zinc/99/63/07/387996307.db2.gz FUPJNEBRRXIZKG-CDGCEXEKSA-N 2 0 237.391 1.471 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423227566 388012116 /nfs/dbraw/zinc/01/21/16/388012116.db2.gz WFOWKAMUCQZZTI-QNWHQSFQSA-N 2 0 238.375 1.661 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000423227565 388012205 /nfs/dbraw/zinc/01/22/05/388012205.db2.gz WFOWKAMUCQZZTI-LOWDOPEQSA-N 2 0 238.375 1.661 20 0 BDADRP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423230870 388015258 /nfs/dbraw/zinc/01/52/58/388015258.db2.gz FMLLWODLBMXIGT-RWMBFGLXSA-N 2 0 226.364 1.533 20 0 BDADRP C([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)[C@H]1CCC[NH2+]1 ZINC000423235235 388018522 /nfs/dbraw/zinc/01/85/22/388018522.db2.gz NADDWAFESZCCTR-FDYHWXHSSA-N 2 0 236.359 1.286 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1cccc(O)c1 ZINC000423269917 388022632 /nfs/dbraw/zinc/02/26/32/388022632.db2.gz HIHROOXHPURDMQ-WDEREUQCSA-N 2 0 222.332 1.898 20 0 BDADRP CC[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423249985 388032353 /nfs/dbraw/zinc/03/23/53/388032353.db2.gz PSJAAYMBUCKVGE-AVGNSLFASA-N 3 0 225.380 1.106 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H](N)c1ccccc1 ZINC000423254162 388035111 /nfs/dbraw/zinc/03/51/11/388035111.db2.gz XIUMDQIRFFUDMU-GXTWGEPZSA-N 2 0 235.375 1.794 20 0 BDADRP C[NH2+]C[C@H](C)CN[C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423256218 388036415 /nfs/dbraw/zinc/03/64/15/388036415.db2.gz BMRUKDJPVWUVJM-GZBFAFLISA-N 2 0 249.402 1.390 20 0 BDADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423254654 388036805 /nfs/dbraw/zinc/03/68/05/388036805.db2.gz ZAFWRWBCXRQASJ-RDBSUJKOSA-N 2 0 240.391 1.781 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCCC12CCOCC2 ZINC000423256374 388036813 /nfs/dbraw/zinc/03/68/13/388036813.db2.gz BSTYDMJZMWZXGF-STQMWFEESA-N 2 0 240.391 1.781 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCCO2)CC[N@@H+]1C ZINC000453295612 388037102 /nfs/dbraw/zinc/03/71/02/388037102.db2.gz XNDPVXOEVNKIOQ-SDDRHHMPSA-N 2 0 212.337 1.238 20 0 BDADRP CC(C)C[C@H](C[NH3+])N[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423258611 388039063 /nfs/dbraw/zinc/03/90/63/388039063.db2.gz CCOILPDVXYPRCN-QJPTWQEYSA-N 2 0 213.369 1.090 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)C1CCOCC1 ZINC000423261879 388041115 /nfs/dbraw/zinc/04/11/15/388041115.db2.gz TTXZPRGONUEAHS-OLZOCXBDSA-N 2 0 240.391 1.781 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000423274332 388054685 /nfs/dbraw/zinc/05/46/85/388054685.db2.gz LZDJEPAWLZLVJC-WUHRBBMRSA-N 2 0 240.391 1.635 20 0 BDADRP Cc1nccnc1[C@H](C)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000423274403 388055641 /nfs/dbraw/zinc/05/56/41/388055641.db2.gz KIZFMCMGVGAYHJ-AVGNSLFASA-N 2 0 248.374 1.953 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000423275558 388056078 /nfs/dbraw/zinc/05/60/78/388056078.db2.gz LTNPUVOKDLCLKZ-QCNOEVLYSA-N 2 0 214.353 1.517 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)[C@H]1CCCC[NH2+]1 ZINC000423275213 388057236 /nfs/dbraw/zinc/05/72/36/388057236.db2.gz MXMAMTUOJHTFFA-BFHYXJOUSA-N 3 0 239.407 1.496 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423283589 388064792 /nfs/dbraw/zinc/06/47/92/388064792.db2.gz XLYHTBDGYYEJKO-RDBSUJKOSA-N 3 0 239.407 1.354 20 0 BDADRP COC[C@H](C)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453389993 388067549 /nfs/dbraw/zinc/06/75/49/388067549.db2.gz CPXUYMKHQZYXRK-NSHDSACASA-N 2 0 214.353 1.485 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@@H](C)c1c[nH+]ccc1N ZINC000423285616 388069848 /nfs/dbraw/zinc/06/98/48/388069848.db2.gz ZKTVJCZEZAWFKZ-JOYOIKCWSA-N 2 0 222.336 1.128 20 0 BDADRP C[C@H]1CN(C)C[C@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453398159 388071126 /nfs/dbraw/zinc/07/11/26/388071126.db2.gz KGMQPTSGPNHIGX-GXTWGEPZSA-N 3 0 239.407 1.401 20 0 BDADRP CCOC(=O)[C@H](CC)[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000084105440 388071574 /nfs/dbraw/zinc/07/15/74/388071574.db2.gz YZAVCDUROPQYMN-PWSUYJOCSA-N 2 0 242.363 1.387 20 0 BDADRP CCC([NH3+])(CC)CN[C@@H]1C[N@H+](C)C[C@H]1C ZINC000423288442 388072494 /nfs/dbraw/zinc/07/24/94/388072494.db2.gz SBSNGEIMLBPYAI-GHMZBOCLSA-N 2 0 213.369 1.044 20 0 BDADRP CCC([NH3+])(CC)C[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000423288341 388073275 /nfs/dbraw/zinc/07/32/75/388073275.db2.gz RTPYHRZIJWVNPD-NWDGAFQWSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CN(C)C[C@@H]2C)O1 ZINC000453403018 388073302 /nfs/dbraw/zinc/07/33/02/388073302.db2.gz GQFSMWWCZKIFJD-IRCOFANPSA-N 2 0 212.337 1.094 20 0 BDADRP CCC([NH3+])(CC)CN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000423289310 388074689 /nfs/dbraw/zinc/07/46/89/388074689.db2.gz WSRQWNIIGYFKDW-FRRDWIJNSA-N 2 0 241.423 1.822 20 0 BDADRP CC[NH+](CC)CCCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000084217737 388075300 /nfs/dbraw/zinc/07/53/00/388075300.db2.gz LFLTUDLEJGFMHY-QWHCGFSZSA-N 2 0 227.396 1.435 20 0 BDADRP CC[NH+](CC)CCCN[C@H]1CCC[C@H]1C[NH3+] ZINC000084217739 388075314 /nfs/dbraw/zinc/07/53/14/388075314.db2.gz LFLTUDLEJGFMHY-STQMWFEESA-N 2 0 227.396 1.435 20 0 BDADRP CCC([NH3+])(CC)C[NH2+][C@@H]1CCOC[C@@H]1C ZINC000423292581 388075428 /nfs/dbraw/zinc/07/54/28/388075428.db2.gz NJNQVKNPKOSFQC-WDEREUQCSA-N 2 0 214.353 1.519 20 0 BDADRP CC[N@H+](CC[C@@H]1CC[NH2+]C1)C[C@@H]1CCCO1 ZINC000084385163 388077815 /nfs/dbraw/zinc/07/78/15/388077815.db2.gz QOTPVCHSKADSDY-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1cncc(F)c1 ZINC000423298422 388079651 /nfs/dbraw/zinc/07/96/51/388079651.db2.gz OKAHMAQNDQGWEP-BDAKNGLRSA-N 2 0 211.284 1.466 20 0 BDADRP CCCC[C@@H](CN)[NH2+][C@@H](C)CCC[NH3+] ZINC000423297860 388080008 /nfs/dbraw/zinc/08/00/08/388080008.db2.gz MECZRWXAKXKDRZ-QWRGUYRKSA-N 2 0 201.358 1.221 20 0 BDADRP CC1CCC([NH+]2CCN(CCC[NH3+])CC2)CC1 ZINC000085070144 388083961 /nfs/dbraw/zinc/08/39/61/388083961.db2.gz DXDRFVWZDKVMIF-UHFFFAOYSA-N 2 0 239.407 1.532 20 0 BDADRP CC[C@@H](C)C[N@H+](CC)CCN1CC[NH2+]CC1 ZINC000086437730 388102557 /nfs/dbraw/zinc/10/25/57/388102557.db2.gz KVZFZGXEJBEIKO-CYBMUJFWSA-N 2 0 227.396 1.260 20 0 BDADRP C[C@H](C[NH2+][C@H]1CCCOCC1)C[NH+]1CCCC1 ZINC000086874597 388110331 /nfs/dbraw/zinc/11/03/31/388110331.db2.gz AWWTWSWUSLPNAS-KGLIPLIRSA-N 2 0 240.391 1.877 20 0 BDADRP CCN(C)CC[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000086902848 388111585 /nfs/dbraw/zinc/11/15/85/388111585.db2.gz JHSMPKLIFSACSB-GFCCVEGCSA-N 2 0 226.364 1.629 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)N[C@H](C[NH3+])C1CCCCC1 ZINC000423265302 388044777 /nfs/dbraw/zinc/04/47/77/388044777.db2.gz QTXPYYBBRJCOCC-GMXVVIOVSA-N 2 0 227.396 1.609 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000423267475 388046053 /nfs/dbraw/zinc/04/60/53/388046053.db2.gz FEMNKDLDPNNREA-FDYHWXHSSA-N 2 0 238.375 1.389 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)C12CCC2 ZINC000423269070 388047442 /nfs/dbraw/zinc/04/74/42/388047442.db2.gz GZNIJLJAJLCHPU-FRRDWIJNSA-N 2 0 240.391 1.907 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423271203 388049342 /nfs/dbraw/zinc/04/93/42/388049342.db2.gz IRVFAHIPWQMOKB-STQMWFEESA-N 3 0 227.396 1.483 20 0 BDADRP CCC[NH2+][C@@H](C)C(=O)NCC(C)(C)C[NH+](C)C ZINC000449068719 388138833 /nfs/dbraw/zinc/13/88/33/388138833.db2.gz UPNNBUITQCIELN-NSHDSACASA-N 2 0 243.395 1.079 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000449649050 388248771 /nfs/dbraw/zinc/24/87/71/388248771.db2.gz RLWCDRMTGAQQPF-UTUOFQBUSA-N 2 0 241.379 1.138 20 0 BDADRP CCC[NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000449675313 388251582 /nfs/dbraw/zinc/25/15/82/388251582.db2.gz ZHLOBYQQWWFXCP-JTQLQIEISA-N 2 0 247.342 1.616 20 0 BDADRP CCN1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@@H](CO)C2)C1 ZINC000449423659 388201971 /nfs/dbraw/zinc/20/19/71/388201971.db2.gz BFMVCWBKJDMEPD-QNWHQSFQSA-N 2 0 226.364 1.077 20 0 BDADRP CC(C)[C@@H]([NH3+])C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000489468535 388216576 /nfs/dbraw/zinc/21/65/76/388216576.db2.gz IQGOOUDHTHFPLP-GXFFZTMASA-N 2 0 249.358 1.306 20 0 BDADRP CC(C)[NH2+]CCC[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000517918497 256553776 /nfs/dbraw/zinc/55/37/76/256553776.db2.gz UFCSRRJUHBOBPP-NSHDSACASA-N 2 0 241.379 1.021 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(CC)COC2)[C@H](C)C1 ZINC000449596899 388239560 /nfs/dbraw/zinc/23/95/60/388239560.db2.gz CSEQOOGJLICHIH-CHWSQXEVSA-N 2 0 240.391 1.733 20 0 BDADRP CC[C@H]([NH3+])CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000449608676 388241231 /nfs/dbraw/zinc/24/12/31/388241231.db2.gz JLAVEMLFPQGZMA-NEPJUHHUSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@@H]1CCN(CC[NH2+]C(C)(C)C)[C@H]1CO ZINC000261529499 135156145 /nfs/dbraw/zinc/15/61/45/135156145.db2.gz AVSUHEXNOJERGN-MNOVXSKESA-N 2 0 214.353 1.077 20 0 BDADRP C[C@H](Cc1ccncc1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000568532396 388356133 /nfs/dbraw/zinc/35/61/33/388356133.db2.gz GMVIVNNCFXTANV-KWCYVHTRSA-N 2 0 233.359 1.872 20 0 BDADRP C[C@H](Cc1ccncc1)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000568532397 388356463 /nfs/dbraw/zinc/35/64/63/388356463.db2.gz GMVIVNNCFXTANV-MRVWCRGKSA-N 2 0 233.359 1.872 20 0 BDADRP CC(=O)Nc1cccc([C@H](C)N[C@@H](C)C[NH3+])c1 ZINC000235145661 388365303 /nfs/dbraw/zinc/36/53/03/388365303.db2.gz SZVJMZCQSLEUID-UWVGGRQHSA-N 2 0 235.331 1.643 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCCn2cccn2)C1 ZINC000163723405 388366368 /nfs/dbraw/zinc/36/63/68/388366368.db2.gz WKOXTYDTZYMVKW-VXGBXAGGSA-N 2 0 222.336 1.133 20 0 BDADRP C[C@@]1(C[NH3+])CC[N@H+](CC2CCOCC2)C1 ZINC000235438357 388369635 /nfs/dbraw/zinc/36/96/35/388369635.db2.gz BUTUOUFYLRRNDR-LBPRGKRZSA-N 2 0 212.337 1.084 20 0 BDADRP Cc1ccccc1C[C@H](C)[NH2+][C@H](C)CN ZINC000235458824 388369783 /nfs/dbraw/zinc/36/97/83/388369783.db2.gz PIBVJKMFCMZMPQ-NWDGAFQWSA-N 2 0 206.333 1.863 20 0 BDADRP CC1(C)[C@H](O)C[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000163875058 388369811 /nfs/dbraw/zinc/36/98/11/388369811.db2.gz BBJWJZJGRNNZFT-CHWSQXEVSA-N 2 0 240.391 1.611 20 0 BDADRP CC1(C)[C@H](O)C[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000163875147 388369848 /nfs/dbraw/zinc/36/98/48/388369848.db2.gz BBJWJZJGRNNZFT-QWHCGFSZSA-N 2 0 240.391 1.611 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC1(C2CC2)CC1 ZINC000236176314 388378158 /nfs/dbraw/zinc/37/81/58/388378158.db2.gz PGPCVGYIHMNPRY-JQWIXIFHSA-N 2 0 208.349 1.894 20 0 BDADRP CCCC[C@@H]([NH3+])C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000236691071 388381370 /nfs/dbraw/zinc/38/13/70/388381370.db2.gz UZRZHTTYYIYDDD-VXGBXAGGSA-N 2 0 243.395 1.336 20 0 BDADRP C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(C[NH3+])c1 ZINC000646578991 388388318 /nfs/dbraw/zinc/38/83/18/388388318.db2.gz MVWDSPPJISVZNJ-BXKDBHETSA-N 2 0 233.315 1.082 20 0 BDADRP [NH3+]Cc1cccc(NC(=O)C[C@H]2CC[NH2+]C2)c1 ZINC000646578869 388389009 /nfs/dbraw/zinc/38/90/09/388389009.db2.gz IACFUHHHEKUYJM-LLVKDONJSA-N 2 0 233.315 1.083 20 0 BDADRP [NH3+]Cc1cccc(NC(=O)C2(C[NH3+])CCCC2)c1 ZINC000646579059 388389161 /nfs/dbraw/zinc/38/91/61/388389161.db2.gz PKWWHVWLOPFRMZ-UHFFFAOYSA-N 2 0 247.342 1.603 20 0 BDADRP Cn1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)n1 ZINC000520406493 256672480 /nfs/dbraw/zinc/67/24/80/256672480.db2.gz IRNDKXVKLFZRLQ-CYBMUJFWSA-N 2 0 248.374 1.242 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000393772889 388442296 /nfs/dbraw/zinc/44/22/96/388442296.db2.gz ILZFNMCWSHMBCX-FRRDWIJNSA-N 2 0 228.380 1.502 20 0 BDADRP C[N@@H+]1CCC[C@@H](CC[NH2+]CC2(O)CCC2)C1 ZINC000573955114 388442841 /nfs/dbraw/zinc/44/28/41/388442841.db2.gz XWIDGVYZZGXDPJ-LBPRGKRZSA-N 2 0 226.364 1.223 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000394061919 388449818 /nfs/dbraw/zinc/44/98/18/388449818.db2.gz AJIRLVSQAIOGMS-FRRDWIJNSA-N 2 0 228.380 1.371 20 0 BDADRP C[NH2+]CCC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000515351662 256743159 /nfs/dbraw/zinc/74/31/59/256743159.db2.gz PWMPPWTTYMBPAK-ZDUSSCGKSA-N 2 0 249.358 1.192 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2O)[C@H](C)C1 ZINC000309674174 388460623 /nfs/dbraw/zinc/46/06/23/388460623.db2.gz XEJNGIGRZMELJT-YVECIDJPSA-N 2 0 226.364 1.220 20 0 BDADRP COCCC[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397350022 388460988 /nfs/dbraw/zinc/46/09/88/388460988.db2.gz ZQSUFYQGTVFYBI-SRVKXCTJSA-N 2 0 214.353 1.328 20 0 BDADRP CCSCC[NH2+]C1CC[NH+](CC)CC1 ZINC000336695104 388463883 /nfs/dbraw/zinc/46/38/83/388463883.db2.gz SHZVNEOXXOXJIB-UHFFFAOYSA-N 2 0 216.394 1.813 20 0 BDADRP OCCCCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000515591979 256751015 /nfs/dbraw/zinc/75/10/15/256751015.db2.gz VXBPKKFLBRWYGA-UHFFFAOYSA-N 2 0 240.391 1.613 20 0 BDADRP FCCCCC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000336708148 388466549 /nfs/dbraw/zinc/46/65/49/388466549.db2.gz SFZOYSQIGCXSMR-NWDGAFQWSA-N 2 0 214.328 1.668 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)C1CCC1 ZINC000316687319 388420420 /nfs/dbraw/zinc/42/04/20/388420420.db2.gz ZTKDAIREZQLNGW-RWMBFGLXSA-N 2 0 226.364 1.255 20 0 BDADRP COC[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])C1CC1 ZINC000397232631 388421074 /nfs/dbraw/zinc/42/10/74/388421074.db2.gz GZPRVMWJPJPFMA-XQQFMLRXSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](O)C1CCC1 ZINC000316806824 388421439 /nfs/dbraw/zinc/42/14/39/388421439.db2.gz SQHCWBCXNUQSCH-ZYHUDNBSSA-N 2 0 214.353 1.255 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1nn(C)cc1Cl ZINC000393400297 388428469 /nfs/dbraw/zinc/42/84/69/388428469.db2.gz GBDZZVWKGXZBRL-VIFPVBQESA-N 2 0 244.770 1.681 20 0 BDADRP CCCC[N@H+](C)CCNC(=O)CC[NH2+]C(C)C ZINC000166638083 388429519 /nfs/dbraw/zinc/42/95/19/388429519.db2.gz TWEHYAKQDWUSMU-UHFFFAOYSA-N 2 0 243.395 1.223 20 0 BDADRP FC(F)[C@H]1C[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000393413507 388429613 /nfs/dbraw/zinc/42/96/13/388429613.db2.gz BUTLZFDGGLYDDM-VLEAKVRGSA-N 2 0 230.302 1.856 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000573220757 388432687 /nfs/dbraw/zinc/43/26/87/388432687.db2.gz LUEZOKOCZYDSBZ-WHOHXGKFSA-N 2 0 214.353 1.253 20 0 BDADRP CC[C@](C)(C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)OC ZINC000322491555 388436106 /nfs/dbraw/zinc/43/61/06/388436106.db2.gz CFGBNIWWMXILIK-JHJVBQTASA-N 2 0 228.380 1.874 20 0 BDADRP CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000573266712 388437150 /nfs/dbraw/zinc/43/71/50/388437150.db2.gz KXGQNGCMHYZQLU-QNWHQSFQSA-N 2 0 242.363 1.040 20 0 BDADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)C1CCCC1 ZINC000354404552 388543803 /nfs/dbraw/zinc/54/38/03/388543803.db2.gz IUDPHARDLXVSIF-GFCCVEGCSA-N 2 0 240.391 1.611 20 0 BDADRP CCC[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)OC ZINC000356337524 388548617 /nfs/dbraw/zinc/54/86/17/388548617.db2.gz QBDDSUPYKHZUFE-YNEHKIRRSA-N 2 0 228.380 1.874 20 0 BDADRP C[C@H](CCO)CC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000397787271 388499051 /nfs/dbraw/zinc/49/90/51/388499051.db2.gz RDUAVVDWTREICH-RWMBFGLXSA-N 2 0 228.380 1.502 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]CCC2(O)CCC2)CC1 ZINC000342812847 388499077 /nfs/dbraw/zinc/49/90/77/388499077.db2.gz DDJVBQZMEJEKKC-UHFFFAOYSA-N 2 0 240.391 1.754 20 0 BDADRP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)[C@H]1CC1(C)C ZINC000397817750 388501928 /nfs/dbraw/zinc/50/19/28/388501928.db2.gz JYDHLGKGDQXFKN-RWMBFGLXSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1NCC1([NH+](C)C)CC1 ZINC000397860849 388507485 /nfs/dbraw/zinc/50/74/85/388507485.db2.gz YEABWGIHOOOONL-RYUDHWBXSA-N 2 0 225.380 1.010 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+]C[C@@H]2CCC[NH2+]C2)O1 ZINC000398025385 388514611 /nfs/dbraw/zinc/51/46/11/388514611.db2.gz AEOOEKWGGWYMHC-IJLUTSLNSA-N 2 0 212.337 1.143 20 0 BDADRP COC[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)C1CC1 ZINC000398004803 388514894 /nfs/dbraw/zinc/51/48/94/388514894.db2.gz AKRKAJJJVWCCRP-OAHLLOKOSA-N 2 0 246.354 1.804 20 0 BDADRP COCCN1CC[C@H]([NH2+][C@@H](C)CCC2CC2)C1 ZINC000346547371 388520597 /nfs/dbraw/zinc/52/05/97/388520597.db2.gz ANKXQZGEIFVCEE-JSGCOSHPSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000356697479 388550202 /nfs/dbraw/zinc/55/02/02/388550202.db2.gz NFKHCJLEBYFQON-WOPDTQHZSA-N 2 0 214.353 1.661 20 0 BDADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CC[C@@H]1CCOC1 ZINC000352539440 388536915 /nfs/dbraw/zinc/53/69/15/388536915.db2.gz ARQXCBPDXMYGQI-CHWSQXEVSA-N 2 0 226.364 1.616 20 0 BDADRP CCc1noc(C)c1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000517587719 388555317 /nfs/dbraw/zinc/55/53/17/388555317.db2.gz GIDSHNGVDUHICJ-GHMZBOCLSA-N 2 0 237.347 1.905 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000252712598 388574164 /nfs/dbraw/zinc/57/41/64/388574164.db2.gz MUYLLRQJQFBHQE-TZMCWYRMSA-N 3 0 239.407 1.258 20 0 BDADRP CCc1noc(C)c1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000517587721 256830105 /nfs/dbraw/zinc/83/01/05/256830105.db2.gz GIDSHNGVDUHICJ-MNOVXSKESA-N 2 0 237.347 1.905 20 0 BDADRP C[C@H]([NH3+])c1ccc(CNC(=O)C[NH2+]C2CC2)cc1 ZINC000521610718 388619062 /nfs/dbraw/zinc/61/90/62/388619062.db2.gz OJLGPPWCTRSGQL-JTQLQIEISA-N 2 0 247.342 1.075 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cnc(N(C)C)s1 ZINC000521626693 388619796 /nfs/dbraw/zinc/61/97/96/388619796.db2.gz WBTODXFCPJCBOJ-RKDXNWHRSA-N 2 0 242.392 1.425 20 0 BDADRP CCCn1cc(CN[C@@H]2CC[NH2+]C23CCC3)cn1 ZINC000530178505 388622115 /nfs/dbraw/zinc/62/21/15/388622115.db2.gz LTJUXYVXUNJTIR-CYBMUJFWSA-N 2 0 248.374 1.667 20 0 BDADRP C[C@@H]1C[C@@H](N[C@@H]2CC[NH2+]C23CCC3)C[N@@H+]1C1CC1 ZINC000530179950 388623294 /nfs/dbraw/zinc/62/32/94/388623294.db2.gz ZAEJYUAEVZIECD-YRGRVCCFSA-N 2 0 249.402 1.486 20 0 BDADRP Cc1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)on1 ZINC000630076786 388627299 /nfs/dbraw/zinc/62/72/99/388627299.db2.gz ODMQTJJVTNDRFJ-PHIMTYICSA-N 2 0 223.320 1.413 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC[C@@H]1CCCOC1 ZINC000530209512 388628234 /nfs/dbraw/zinc/62/82/34/388628234.db2.gz IHGSWZYHRBWPAF-RDBSUJKOSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)[C@@H]1CCCOC1 ZINC000530215794 388629002 /nfs/dbraw/zinc/62/90/02/388629002.db2.gz JAMPDXAHBXCSRD-XQQFMLRXSA-N 2 0 238.375 1.676 20 0 BDADRP C[C@@H](N[C@H]1CC[NH2+]C12CCC2)[C@H]1CCCC[NH2+]1 ZINC000530215801 388629570 /nfs/dbraw/zinc/62/95/70/388629570.db2.gz JDJGARITWZBXJK-UPJWGTAASA-N 2 0 237.391 1.391 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@H]1C[C@H]1C ZINC000530216467 388629853 /nfs/dbraw/zinc/62/98/53/388629853.db2.gz PDVIIQJZFPALBC-NOOOWODRSA-N 2 0 208.349 1.905 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000530218171 388630567 /nfs/dbraw/zinc/63/05/67/388630567.db2.gz IAGCCCUMSMEUFG-AGIUHOORSA-N 2 0 237.391 1.201 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]CC23CC(C2)CO3)c2ccccc21 ZINC000530220228 388631331 /nfs/dbraw/zinc/63/13/31/388631331.db2.gz MLYBDGMGTVQADG-NSDPGXDNSA-N 2 0 244.338 1.900 20 0 BDADRP COc1ccc(CC[NH2+]C[C@H]2CCC[NH2+]C2)cn1 ZINC000530243321 388638945 /nfs/dbraw/zinc/63/89/45/388638945.db2.gz HLSKXSXIHLGNBF-ZDUSSCGKSA-N 2 0 249.358 1.222 20 0 BDADRP C[C@H](C[NH2+]CC(C)(C)[NH3+])c1ccncc1 ZINC000530244536 388639006 /nfs/dbraw/zinc/63/90/06/388639006.db2.gz MBYWXHNDQWTPOO-SNVBAGLBSA-N 2 0 207.321 1.512 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCOCC2)C1 ZINC000083425581 388640504 /nfs/dbraw/zinc/64/05/04/388640504.db2.gz FMGMMHGYZCMLLA-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP CC[C@H](O)CC[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000246907774 388655538 /nfs/dbraw/zinc/65/55/38/388655538.db2.gz FODIPNPJHKUMQB-AGIUHOORSA-N 2 0 228.380 1.467 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)OC)[C@@H](C)C1 ZINC000246985076 388656746 /nfs/dbraw/zinc/65/67/46/388656746.db2.gz JUFHUZQYTQMTHF-NWDGAFQWSA-N 2 0 242.363 1.212 20 0 BDADRP COC[C@@H](C)C[NH2+]CCC1CC[NH+](C)CC1 ZINC000123924406 388658754 /nfs/dbraw/zinc/65/87/54/388658754.db2.gz IYIHXVBJYFOKST-LBPRGKRZSA-N 2 0 228.380 1.590 20 0 BDADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)COC)C1 ZINC000247143979 388659469 /nfs/dbraw/zinc/65/94/69/388659469.db2.gz SNOQTMKNSNAEAM-NEPJUHHUSA-N 2 0 214.353 1.343 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCOC2)CC[N@@H+]1C ZINC000247234268 388661324 /nfs/dbraw/zinc/66/13/24/388661324.db2.gz YMZJWUJAHKSKON-JHJVBQTASA-N 2 0 226.364 1.485 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCCS1 ZINC000227003581 388735714 /nfs/dbraw/zinc/73/57/14/388735714.db2.gz LGBOJPPCTGFUNF-SDDRHHMPSA-N 2 0 228.405 1.989 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCn1ccnc1 ZINC000128105774 388739374 /nfs/dbraw/zinc/73/93/74/388739374.db2.gz WPYFGEUTBKWEAK-STQMWFEESA-N 2 0 236.363 1.203 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@H]2CCOC2)C1 ZINC000251535774 388749223 /nfs/dbraw/zinc/74/92/23/388749223.db2.gz KNYZEJJRHDJDDL-QJPTWQEYSA-N 2 0 212.337 1.082 20 0 BDADRP CC[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000126351004 388694818 /nfs/dbraw/zinc/69/48/18/388694818.db2.gz JEFBUAAHNVGYDD-UONOGXRCSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCCn2cccn2)CC[N@@H+]1C ZINC000126982486 388710276 /nfs/dbraw/zinc/71/02/76/388710276.db2.gz ILUGDTKKZDJTBE-QWHCGFSZSA-N 2 0 236.363 1.346 20 0 BDADRP CC(C)N1CCC([NH2+]CCC[S@@](C)=O)CC1 ZINC000127110965 388714532 /nfs/dbraw/zinc/71/45/32/388714532.db2.gz MQURGVLZSHZOAX-INIZCTEOSA-N 2 0 246.420 1.217 20 0 BDADRP C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)CC1CC1 ZINC000227799946 388758671 /nfs/dbraw/zinc/75/86/71/388758671.db2.gz UZAOCVZNUXBWJG-GJZGRUSLSA-N 2 0 248.370 1.259 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252703130 388771826 /nfs/dbraw/zinc/77/18/26/388771826.db2.gz KQFXAKGHKYXZFF-FRRDWIJNSA-N 2 0 226.364 1.220 20 0 BDADRP c1cnn(CCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000252703287 388771963 /nfs/dbraw/zinc/77/19/63/388771963.db2.gz QGOBGIVUSXNGAD-KBPBESRZSA-N 2 0 248.374 1.490 20 0 BDADRP CC[C@H](O)CC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252709683 388773815 /nfs/dbraw/zinc/77/38/15/388773815.db2.gz DNCWOUHRVFXRCO-GRYCIOLGSA-N 2 0 214.353 1.077 20 0 BDADRP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)[C@@H]1CCOC1 ZINC000128622498 388777145 /nfs/dbraw/zinc/77/71/45/388777145.db2.gz LLSUORNOGPLLJF-ZIAGYGMSSA-N 2 0 240.391 1.877 20 0 BDADRP Cc1cnccc1C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000228697806 388818149 /nfs/dbraw/zinc/81/81/49/388818149.db2.gz ODLJKKMZCLYYFV-DGCLKSJQSA-N 2 0 219.332 1.702 20 0 BDADRP Cc1cnccc1C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000228697797 388818775 /nfs/dbraw/zinc/81/87/75/388818775.db2.gz ODLJKKMZCLYYFV-YPMHNXCESA-N 2 0 219.332 1.702 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@@]1(C)CO ZINC000554811769 388830810 /nfs/dbraw/zinc/83/08/10/388830810.db2.gz JORUGTUZYLEPRX-ZDUSSCGKSA-N 2 0 228.380 1.565 20 0 BDADRP CC[C@H]1C[C@@H]([NH2+]C[C@H](C)N(C)C)CCO1 ZINC000648771017 388859796 /nfs/dbraw/zinc/85/97/96/388859796.db2.gz PNOIEOFOBMMHIA-SRVKXCTJSA-N 2 0 214.353 1.484 20 0 BDADRP CCN1CC[C@@H]([NH2+]C[C@H](O)C2CCCCC2)C1 ZINC000564859559 388894971 /nfs/dbraw/zinc/89/49/71/388894971.db2.gz ZOMLCPWVYKWFHN-KGLIPLIRSA-N 2 0 240.391 1.611 20 0 BDADRP CCN1CC[C@H]([NH2+]C[C@H](O)C2CCCCC2)C1 ZINC000564859558 388895684 /nfs/dbraw/zinc/89/56/84/388895684.db2.gz ZOMLCPWVYKWFHN-KBPBESRZSA-N 2 0 240.391 1.611 20 0 BDADRP CC(C)[N@@H+]1CCCN(C(=O)CC[C@H](C)[NH3+])CC1 ZINC000565038901 388910245 /nfs/dbraw/zinc/91/02/45/388910245.db2.gz VOPRPSGJGPKDBK-LBPRGKRZSA-N 2 0 241.379 1.057 20 0 BDADRP CC(C)[C@H](O)C(C)(C)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000565227244 388929335 /nfs/dbraw/zinc/92/93/35/388929335.db2.gz WWUUZMURQUTUOO-AVGNSLFASA-N 2 0 242.407 1.889 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CCc3cc(N)ccc32)CC[NH2+]C1 ZINC000565608767 388959284 /nfs/dbraw/zinc/95/92/84/388959284.db2.gz IXQCIJVWNWUOBH-CABCVRRESA-N 2 0 245.370 1.845 20 0 BDADRP C[N@H+](CCCC[NH2+]CC1(F)CC1)C1CC1 ZINC000565699534 388963846 /nfs/dbraw/zinc/96/38/46/388963846.db2.gz JGSKZARDSHXIGI-UHFFFAOYSA-N 2 0 214.328 1.953 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+][C@H]2CCC[C@H]2F)C1 ZINC000565549780 388954761 /nfs/dbraw/zinc/95/47/61/388954761.db2.gz RYMGLNWJUBUONJ-ZDCRXTMVSA-N 2 0 200.301 1.737 20 0 BDADRP CC[NH2+]CCC[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000566088222 388986618 /nfs/dbraw/zinc/98/66/18/388986618.db2.gz LUPCMLRFXMDDNQ-OUAUKWLOSA-N 2 0 200.326 1.142 20 0 BDADRP C([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C1CC1 ZINC000086494193 533369993 /nfs/dbraw/zinc/36/99/93/533369993.db2.gz FUDNZJUIIJAXLA-RWMBFGLXSA-N 2 0 208.349 1.907 20 0 BDADRP C[C@@H]([NH2+]CCC[C@H](C)CO)[C@H]1CCC[NH2+]1 ZINC000400525571 533389653 /nfs/dbraw/zinc/38/96/53/533389653.db2.gz PZQXYSRMPNJULF-QJPTWQEYSA-N 2 0 214.353 1.125 20 0 BDADRP C([C@H]1CCOC1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000334310868 533378194 /nfs/dbraw/zinc/37/81/94/533378194.db2.gz KZUGTPUJYFZDJZ-TZMCWYRMSA-N 2 0 238.375 1.344 20 0 BDADRP C[C@@H](NCCC[NH+]1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000400765608 533382298 /nfs/dbraw/zinc/38/22/98/533382298.db2.gz ZEFQJSBWFFPNDG-OLZOCXBDSA-N 2 0 225.380 1.202 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC1(CCO)CC1 ZINC000156741527 133472595 /nfs/dbraw/zinc/47/25/95/133472595.db2.gz CVKCXMJDZZCYSN-NWDGAFQWSA-N 2 0 226.364 1.256 20 0 BDADRP C[C@]1(C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC[NH2+]C1 ZINC000335493414 133865569 /nfs/dbraw/zinc/86/55/69/133865569.db2.gz CREATDQMTLHHGW-AWEZNQCLSA-N 2 0 245.326 1.228 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@]2(C)CC[NH2+]C2)cc1 ZINC000335878414 133948022 /nfs/dbraw/zinc/94/80/22/133948022.db2.gz LVLHFZZCHIKRPS-YGRLFVJLSA-N 2 0 247.342 1.644 20 0 BDADRP CCC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000167556212 134013785 /nfs/dbraw/zinc/01/37/85/134013785.db2.gz SCGKVLOVEXIXBF-SDDRHHMPSA-N 2 0 214.353 1.077 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc(N)c2)C1 ZINC000335964114 134027554 /nfs/dbraw/zinc/02/75/54/134027554.db2.gz QUZSZADBNGOKGV-PWSUYJOCSA-N 2 0 219.332 1.438 20 0 BDADRP Cc1nccn1CC[N@H+]1C[C@H](C)N(C)C[C@H]1C ZINC000335975319 134030893 /nfs/dbraw/zinc/03/08/93/134030893.db2.gz JIYYCBNKGAOLLE-NWDGAFQWSA-N 2 0 236.363 1.216 20 0 BDADRP Oc1cccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000336129545 134093978 /nfs/dbraw/zinc/09/39/78/134093978.db2.gz XYPGCFZKIFUYAT-UHFFFAOYSA-N 2 0 246.354 1.968 20 0 BDADRP C[C@@H](c1cccc(Cl)c1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000217808150 134250554 /nfs/dbraw/zinc/25/05/54/134250554.db2.gz DXDRYDXWHVCDKM-CABZTGNLSA-N 2 0 242.750 1.652 20 0 BDADRP Cn1cncc1CN[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000218110042 134251313 /nfs/dbraw/zinc/25/13/13/134251313.db2.gz XHBGHQUMVRVFOA-STQMWFEESA-N 2 0 234.347 1.137 20 0 BDADRP Cc1cc(C[NH2+][C@@H](C)CC[NH3+])ccc1F ZINC000220507761 134309491 /nfs/dbraw/zinc/30/94/91/134309491.db2.gz IYNZENSVELFPFK-JTQLQIEISA-N 2 0 210.296 1.961 20 0 BDADRP CC[N@H+](CC[C@H]1CCC[NH+]1C)C[C@@H]1CCCO1 ZINC000179247729 134318304 /nfs/dbraw/zinc/31/83/04/134318304.db2.gz HTLFEPKSNCURGM-KGLIPLIRSA-N 2 0 240.391 1.972 20 0 BDADRP c1nc(CN2CCC[C@@H]2C[NH+]2CCCC2)c[nH]1 ZINC000179644351 134322939 /nfs/dbraw/zinc/32/29/39/134322939.db2.gz LPBPKSUVJKQKQM-CYBMUJFWSA-N 2 0 234.347 1.470 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CC(C)(C)CCCO)CC[N@@H+]1C ZINC000221588351 134325412 /nfs/dbraw/zinc/32/54/12/134325412.db2.gz VBXRCEXIOIQSHG-STQMWFEESA-N 2 0 242.407 1.857 20 0 BDADRP CC[N@@H+]1CC[C@H](NC[C@@H](C)[NH+](C)C)[C@@H](C)C1 ZINC000223199284 134337450 /nfs/dbraw/zinc/33/74/50/134337450.db2.gz OKJUPXFJWPLMJC-XQQFMLRXSA-N 2 0 227.396 1.256 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CC[C@H]1CCCCO1 ZINC000223770246 134339412 /nfs/dbraw/zinc/33/94/12/134339412.db2.gz UFMQDVDAUAFSLR-QWHCGFSZSA-N 2 0 244.379 1.289 20 0 BDADRP CC[NH+](CC)CCCC1CC[NH+](CCO)CC1 ZINC000182752795 134348188 /nfs/dbraw/zinc/34/81/88/134348188.db2.gz FTGRIKOXNZYSFN-UHFFFAOYSA-N 2 0 242.407 1.813 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+]C1CCC(O)CC1 ZINC000226336507 134360740 /nfs/dbraw/zinc/36/07/40/134360740.db2.gz GMMDPUNRZSBFPL-UHFFFAOYSA-N 2 0 228.380 1.610 20 0 BDADRP CC[N@H+](C)CCN[C@@H]1C[C@@H](C)[NH+](C)C[C@@H]1C ZINC000227172466 134374474 /nfs/dbraw/zinc/37/44/74/134374474.db2.gz VPIWQBAQYPIIRB-YNEHKIRRSA-N 2 0 227.396 1.256 20 0 BDADRP CO[C@@H](C)[C@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000227497194 134381199 /nfs/dbraw/zinc/38/11/99/134381199.db2.gz PNOIJVHEIIPATD-RYUDHWBXSA-N 2 0 228.380 1.731 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCSC2)CC1 ZINC000227495985 134381385 /nfs/dbraw/zinc/38/13/85/134381385.db2.gz SOKHBCYNVMIERG-NSHDSACASA-N 2 0 228.405 1.813 20 0 BDADRP C[C@H](CCO)C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227541893 134382701 /nfs/dbraw/zinc/38/27/01/134382701.db2.gz DCFPZTTZLQIPGU-HONMWMINSA-N 2 0 234.343 1.739 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)CCO1 ZINC000069890413 134904918 /nfs/dbraw/zinc/90/49/18/134904918.db2.gz DHHVQMZUOLPQRY-WCQYABFASA-N 2 0 226.364 1.485 20 0 BDADRP C[NH+](C)CC(C)(C)C[NH2+]CC1(C)COC1 ZINC000070616759 134994568 /nfs/dbraw/zinc/99/45/68/134994568.db2.gz ZCFQLWBVTRMNPE-UHFFFAOYSA-N 2 0 214.353 1.200 20 0 BDADRP CO[C@H](C)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000248389538 135002242 /nfs/dbraw/zinc/00/22/42/135002242.db2.gz SIUSUDKEISOSDJ-UTUOFQBUSA-N 2 0 212.337 1.238 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCCO1 ZINC000249297388 135042870 /nfs/dbraw/zinc/04/28/70/135042870.db2.gz DMPKCBRDQSIQEM-FDYHWXHSSA-N 2 0 226.364 1.484 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)C1CCCC1 ZINC000234799330 135044111 /nfs/dbraw/zinc/04/41/11/135044111.db2.gz XSNBFFFRQAUTRQ-AAEUAGOBSA-N 2 0 228.380 1.909 20 0 BDADRP COC[C@@H]1CCC[N@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000234736065 135044189 /nfs/dbraw/zinc/04/41/89/135044189.db2.gz LSUVDGXHOYKLNN-OLZOCXBDSA-N 2 0 228.380 1.718 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cnn(C)c2)C1 ZINC000250111000 135049370 /nfs/dbraw/zinc/04/93/70/135049370.db2.gz KWFUEKYMXSIHIN-NEPJUHHUSA-N 2 0 236.363 1.413 20 0 BDADRP CC[C@H](CO)[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000251059029 135061901 /nfs/dbraw/zinc/06/19/01/135061901.db2.gz HNZZFHSYVRSVSB-FDYHWXHSSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@H](CN[C@H]1CCC[C@H]1C[NH3+])C[NH+]1CCCC1 ZINC000251095610 135064394 /nfs/dbraw/zinc/06/43/94/135064394.db2.gz LGNNXMHVRPBVRG-RDBSUJKOSA-N 2 0 239.407 1.435 20 0 BDADRP C[C@H](O)CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000251228194 135066274 /nfs/dbraw/zinc/06/62/74/135066274.db2.gz PUHGDRDOVSKPQF-AVGNSLFASA-N 2 0 226.364 1.173 20 0 BDADRP C[C@H](CCO)[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000251207045 135066318 /nfs/dbraw/zinc/06/63/18/135066318.db2.gz LSFZVQPSOKPXHW-XJFOESAGSA-N 2 0 240.391 1.658 20 0 BDADRP COCC[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251615355 135072308 /nfs/dbraw/zinc/07/23/08/135072308.db2.gz DQOPOMRUZYOSCI-OUAUKWLOSA-N 2 0 200.326 1.081 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2CCCC[C@H]2C[NH3+])CC[N@@H+]1C ZINC000252106242 135083547 /nfs/dbraw/zinc/08/35/47/135083547.db2.gz IYZYLKQCYWPRTR-XJFOESAGSA-N 2 0 239.407 1.576 20 0 BDADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCC[NH3+] ZINC000086501018 135087197 /nfs/dbraw/zinc/08/71/97/135087197.db2.gz MWRJRZBJRHNJTB-QWHCGFSZSA-N 3 0 227.396 1.626 20 0 BDADRP CC[C@H](CO)[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000086500769 135087380 /nfs/dbraw/zinc/08/73/80/135087380.db2.gz QTRHBJHFRCLFQJ-XQQFMLRXSA-N 2 0 228.380 1.658 20 0 BDADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCC[NH3+] ZINC000086501014 135087540 /nfs/dbraw/zinc/08/75/40/135087540.db2.gz MWRJRZBJRHNJTB-STQMWFEESA-N 3 0 227.396 1.626 20 0 BDADRP COCC[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000086500489 135088865 /nfs/dbraw/zinc/08/88/65/135088865.db2.gz IHYPBBQQEGLNNX-NWDGAFQWSA-N 2 0 214.353 1.533 20 0 BDADRP [NH3+]C1CCC([NH2+]C[C@@H]2CCCCO2)CC1 ZINC000086729424 135095666 /nfs/dbraw/zinc/09/56/66/135095666.db2.gz AYISTHOHEUQPEO-MCIGGMRASA-N 2 0 212.337 1.415 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@H](C)O)[C@H](C)C1 ZINC000252714101 135100299 /nfs/dbraw/zinc/10/02/99/135100299.db2.gz QZPAFLRMJJOENJ-WOPDTQHZSA-N 2 0 214.353 1.077 20 0 BDADRP CS[C@H](C)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252730926 135104073 /nfs/dbraw/zinc/10/40/73/135104073.db2.gz NMKKRVILNCXHMV-WOPDTQHZSA-N 2 0 228.405 1.954 20 0 BDADRP CS[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252731529 135104500 /nfs/dbraw/zinc/10/45/00/135104500.db2.gz QIACHTAZQDGYER-GMTAPVOTSA-N 2 0 216.394 1.668 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000252746576 135106576 /nfs/dbraw/zinc/10/65/76/135106576.db2.gz BNBMLJVEASXZRL-QSLWVIQJSA-N 2 0 240.391 1.656 20 0 BDADRP COCC(C)(C)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000261782187 135110672 /nfs/dbraw/zinc/11/06/72/135110672.db2.gz FNBZGENQCBBIKH-NEPJUHHUSA-N 2 0 228.380 1.718 20 0 BDADRP CCOCCC[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252790141 135111208 /nfs/dbraw/zinc/11/12/08/135111208.db2.gz YOEJPNQXGVUCCV-WDEREUQCSA-N 2 0 200.326 1.082 20 0 BDADRP COC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252849329 135112818 /nfs/dbraw/zinc/11/28/18/135112818.db2.gz HBOCQKPTLQONLS-BJDJZHNGSA-N 2 0 212.337 1.081 20 0 BDADRP COCCC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252853371 135113048 /nfs/dbraw/zinc/11/30/48/135113048.db2.gz JBGNIOJYOZUUSS-SRVKXCTJSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)[C@@H](C)[C@@H](C)O1 ZINC000261921895 135113618 /nfs/dbraw/zinc/11/36/18/135113618.db2.gz KPMAJPRVFJVTON-GRYCIOLGSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCOC(F)(F)F ZINC000253336047 135126487 /nfs/dbraw/zinc/12/64/87/135126487.db2.gz YDXQNUHJVIDENL-DTWKUNHWSA-N 2 0 240.269 1.453 20 0 BDADRP C([C@@H]1CCSC1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257641400 135137875 /nfs/dbraw/zinc/13/78/75/135137875.db2.gz AZZBCXLCSLVXBO-RYUDHWBXSA-N 2 0 226.389 1.425 20 0 BDADRP Cc1c(C[NH+]2CCC3(CC[NH2+]C3)CC2)cnn1C ZINC000257717131 135140431 /nfs/dbraw/zinc/14/04/31/135140431.db2.gz UXWDERRRVNIFEZ-UHFFFAOYSA-N 2 0 248.374 1.304 20 0 BDADRP Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000257735688 135140536 /nfs/dbraw/zinc/14/05/36/135140536.db2.gz KMWNZDVMXIYWHA-NSHDSACASA-N 2 0 222.336 1.197 20 0 BDADRP C([C@H]1CCCOC1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257713853 135140576 /nfs/dbraw/zinc/14/05/76/135140576.db2.gz UGRRRVTWYZXGQE-ZIAGYGMSSA-N 2 0 238.375 1.489 20 0 BDADRP COC[C@H]([NH2+][C@H](C)CC[NH+](C)C)C(C)C ZINC000087479637 135144813 /nfs/dbraw/zinc/14/48/13/135144813.db2.gz JJAJMWXEWGJUEK-NEPJUHHUSA-N 2 0 216.369 1.587 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccs1 ZINC000261527837 135153102 /nfs/dbraw/zinc/15/31/02/135153102.db2.gz HRLUWJNPEXKJJB-MWLCHTKSSA-N 2 0 210.346 1.836 20 0 BDADRP CSCC[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000261530166 135157713 /nfs/dbraw/zinc/15/77/13/135157713.db2.gz XOBXSIGLXPRMSK-MNOVXSKESA-N 2 0 216.394 1.669 20 0 BDADRP c1cc(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)cs1 ZINC000261530512 135158309 /nfs/dbraw/zinc/15/83/09/135158309.db2.gz CPRNBDXBYPYFSM-NEPJUHHUSA-N 2 0 222.357 1.932 20 0 BDADRP CC[C@@H]1CN(CC(C)(C)[NH3+])C[C@@H](C)O1 ZINC000261531230 135159654 /nfs/dbraw/zinc/15/96/54/135159654.db2.gz FTYZITBETQOEEP-NXEZZACHSA-N 2 0 200.326 1.223 20 0 BDADRP C(C1CCCC1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261532164 135162374 /nfs/dbraw/zinc/16/23/74/135162374.db2.gz JLSYJFHIBGTAGB-OLZOCXBDSA-N 2 0 208.349 1.718 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2C[NH3+])CCO1 ZINC000261534085 135165843 /nfs/dbraw/zinc/16/58/43/135165843.db2.gz MUBYGEHTHXMTSC-YVECIDJPSA-N 2 0 226.364 1.661 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@H]3CCSC3)C[C@H]21 ZINC000261533914 135165955 /nfs/dbraw/zinc/16/59/55/135165955.db2.gz LFABFNHBEBXYNW-FDYHWXHSSA-N 2 0 240.416 1.799 20 0 BDADRP Cc1ccc(F)cc1CN1C[C@H](C)[C@H]([NH3+])C1 ZINC000261534244 135166577 /nfs/dbraw/zinc/16/65/77/135166577.db2.gz OWHQHNNEVDCCCM-GXFFZTMASA-N 2 0 222.307 1.913 20 0 BDADRP CC(C)COCC[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000261534181 135166653 /nfs/dbraw/zinc/16/66/53/135166653.db2.gz ODQIBPBVVCZBJQ-QWHCGFSZSA-N 2 0 228.380 1.576 20 0 BDADRP CO[C@H]1C[N@H+](CC2CC[NH2+]CC2)CC[C@H]1C ZINC000261534665 135168081 /nfs/dbraw/zinc/16/80/81/135168081.db2.gz SLPQZGWINJSYIL-YPMHNXCESA-N 2 0 226.364 1.343 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCCO[C@H](C)C2)CC[NH2+]1 ZINC000261534565 135168266 /nfs/dbraw/zinc/16/82/66/135168266.db2.gz SDLUWYFBUCDSIH-UPJWGTAASA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCOC1 ZINC000087783694 135169432 /nfs/dbraw/zinc/16/94/32/135169432.db2.gz NIMMBYUPDUNYNV-DDHJBXDOSA-N 2 0 212.337 1.094 20 0 BDADRP CC[C@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)CCCO1 ZINC000261535507 135169602 /nfs/dbraw/zinc/16/96/02/135169602.db2.gz ZXVGZWMAOHXBOF-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP C[N@H+](CC[C@@H]1CCCO1)[C@H]1CCC[NH2+]CC1 ZINC000261535391 135169739 /nfs/dbraw/zinc/16/97/39/135169739.db2.gz YBDYWKYJMNSYKY-STQMWFEESA-N 2 0 226.364 1.629 20 0 BDADRP Cc1noc(C)c1C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000261538233 135175735 /nfs/dbraw/zinc/17/57/35/135175735.db2.gz UBUUMYDILKTHGN-UHFFFAOYSA-N 2 0 237.347 1.771 20 0 BDADRP CC(C)OCC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261538866 135176816 /nfs/dbraw/zinc/17/68/16/135176816.db2.gz ZRDKKUBESPCNSL-GFCCVEGCSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H]1C[C@@H](C[N@H+](C)C[C@H]2CCCN2C)CC[NH2+]1 ZINC000261540982 135180274 /nfs/dbraw/zinc/18/02/74/135180274.db2.gz IAVZSUDDKMXQJI-HZSPNIEDSA-N 2 0 239.407 1.401 20 0 BDADRP Cc1cnn(CC[N@@H+](C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000261543347 135183793 /nfs/dbraw/zinc/18/37/93/135183793.db2.gz CXVNQAOSAYDRJY-CYBMUJFWSA-N 2 0 236.363 1.265 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000261543564 135184926 /nfs/dbraw/zinc/18/49/26/135184926.db2.gz UOKFLBPNPGMUNE-FQUUOJAGSA-N 2 0 240.391 1.645 20 0 BDADRP C[C@H](c1ccccn1)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261544353 135185163 /nfs/dbraw/zinc/18/51/63/135185163.db2.gz DTTFGHRVXBJJHE-VOAKCMCISA-N 2 0 231.343 1.812 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCc3ccccc3)C[C@@H]12 ZINC000261544971 135186309 /nfs/dbraw/zinc/18/63/09/135186309.db2.gz FLEMVSCIIZWRAK-RBSFLKMASA-N 2 0 230.355 1.898 20 0 BDADRP Cc1cccnc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261549000 135187731 /nfs/dbraw/zinc/18/77/31/135187731.db2.gz KCUWBASWOZJFDN-AVGNSLFASA-N 2 0 231.343 1.559 20 0 BDADRP CCC[NH+]1CCC(N[C@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000261549283 135188266 /nfs/dbraw/zinc/18/82/66/135188266.db2.gz KIBDMJHXHMZNAV-JSGCOSHPSA-N 2 0 239.407 1.448 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cccnc1 ZINC000084193918 135191358 /nfs/dbraw/zinc/19/13/58/135191358.db2.gz SUSLHZBVOQSJOM-NEPJUHHUSA-N 2 0 205.305 1.299 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCO1 ZINC000084215650 135192172 /nfs/dbraw/zinc/19/21/72/135192172.db2.gz QHZLLDGSUBSZRG-SDDRHHMPSA-N 2 0 212.337 1.273 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCCOCC1CC1 ZINC000084218234 135192695 /nfs/dbraw/zinc/19/26/95/135192695.db2.gz ZJLHCDWDXINTMZ-OLZOCXBDSA-N 2 0 226.364 1.520 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CC1CCOCC1 ZINC000084216865 135193155 /nfs/dbraw/zinc/19/31/55/135193155.db2.gz XLHLPRFAKBDXPV-CHWSQXEVSA-N 2 0 226.364 1.520 20 0 BDADRP C[C@H]1C[C@H]1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261554203 135193449 /nfs/dbraw/zinc/19/34/49/135193449.db2.gz UAYHTNAICXZIKO-RYUDHWBXSA-N 2 0 208.349 1.718 20 0 BDADRP COCC(C)(C)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000261559684 135200096 /nfs/dbraw/zinc/20/00/96/135200096.db2.gz ZFRYNLIGGIIYKG-GHMZBOCLSA-N 2 0 214.353 1.328 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC000261560933 135201715 /nfs/dbraw/zinc/20/17/15/135201715.db2.gz AJHOVJJGRTYPPN-ZWNOBZJWSA-N 2 0 222.307 1.913 20 0 BDADRP Cc1cccnc1CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261563694 135205329 /nfs/dbraw/zinc/20/53/29/135205329.db2.gz XDSFVNQAFHQHOB-OLZOCXBDSA-N 2 0 231.343 1.431 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@@H](CO)C1 ZINC000261564137 135205771 /nfs/dbraw/zinc/20/57/71/135205771.db2.gz XNCGGGYEBSGQIF-RFGFWPKPSA-N 2 0 240.391 1.645 20 0 BDADRP COc1cccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000261564283 135206257 /nfs/dbraw/zinc/20/62/57/135206257.db2.gz HDYDETJVXIPETM-NWANDNLSSA-N 2 0 246.354 1.864 20 0 BDADRP COCC1(CNc2cccc(C)[nH+]2)CC[NH2+]CC1 ZINC000261565114 135207107 /nfs/dbraw/zinc/20/71/07/135207107.db2.gz HOYDMFMYAZZVBK-UHFFFAOYSA-N 2 0 249.358 1.818 20 0 BDADRP Cc1cc(N2C[C@H](C)[NH2+]C[C@@H]2C)cc[nH+]1 ZINC000164057543 135212608 /nfs/dbraw/zinc/21/26/08/135212608.db2.gz HTZSQZYTHRCBGV-QWRGUYRKSA-N 2 0 205.305 1.577 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@@H]12 ZINC000261570960 135213520 /nfs/dbraw/zinc/21/35/20/135213520.db2.gz HFGJOFGGQVYRRN-FDYHWXHSSA-N 2 0 224.348 1.082 20 0 BDADRP Cc1ncsc1C[N@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000084385997 135218105 /nfs/dbraw/zinc/21/81/05/135218105.db2.gz XFYQNYVSHXKOSQ-NSHDSACASA-N 2 0 239.388 1.883 20 0 BDADRP Cc1ccncc1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261583293 135224299 /nfs/dbraw/zinc/22/42/99/135224299.db2.gz OXFORJXZPVBTDS-ZDUSSCGKSA-N 2 0 219.332 1.561 20 0 BDADRP COCC(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000261583064 135224404 /nfs/dbraw/zinc/22/44/04/135224404.db2.gz OUYUDVFIAVSSJR-VXGBXAGGSA-N 2 0 228.380 1.766 20 0 BDADRP COc1ccccc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261584038 135225049 /nfs/dbraw/zinc/22/50/49/135225049.db2.gz SAOPIEFKHCQPEO-IACUBPJLSA-N 2 0 246.354 1.864 20 0 BDADRP Cc1c[nH+]ccc1N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261585094 135225829 /nfs/dbraw/zinc/22/58/29/135225829.db2.gz QDNXWVBQAFVUQL-VXGBXAGGSA-N 2 0 217.316 1.578 20 0 BDADRP Cc1cc(N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc[nH+]1 ZINC000261586704 135227766 /nfs/dbraw/zinc/22/77/66/135227766.db2.gz RIXWMHSRCOFBOT-WCFLWFBJSA-N 2 0 217.316 1.564 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000261591579 135231969 /nfs/dbraw/zinc/23/19/69/135231969.db2.gz XSHMJWSYGFSMPP-DFBGVHRSSA-N 2 0 245.370 1.815 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCC1CCOCC1 ZINC000261592026 135232738 /nfs/dbraw/zinc/23/27/38/135232738.db2.gz VRJOJFSEFVCFKC-STQMWFEESA-N 2 0 226.364 1.520 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCOCC1CC1 ZINC000261595426 135235079 /nfs/dbraw/zinc/23/50/79/135235079.db2.gz YCIYMDXTJMQHDA-ZYHUDNBSSA-N 2 0 212.337 1.082 20 0 BDADRP N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1c1ccccc1 ZINC000261602953 135237413 /nfs/dbraw/zinc/23/74/13/135237413.db2.gz ASBDTMOTDMROOH-AEGPPILISA-N 2 0 246.354 1.450 20 0 BDADRP C[C@H](C[N@H+](C)Cc1ccccc1)N[C@@H]1CC[NH2+]C1 ZINC000261547176 135240080 /nfs/dbraw/zinc/24/00/80/135240080.db2.gz LZCJRMHMIYKEGF-UKRRQHHQSA-N 2 0 247.386 1.458 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000261547190 135240193 /nfs/dbraw/zinc/24/01/93/135240193.db2.gz LZYIVMFMSZCCCV-AGIUHOORSA-N 2 0 208.349 1.860 20 0 BDADRP CCc1cnc(CN2CC[C@](C)(C[NH3+])C2)s1 ZINC000261624914 135244668 /nfs/dbraw/zinc/24/46/68/135244668.db2.gz DUTXVZDPKJFIGG-GFCCVEGCSA-N 2 0 239.388 1.876 20 0 BDADRP CN(Cc1noc(CN)n1)C(C1CC1)C1CC1 ZINC000261686452 135245619 /nfs/dbraw/zinc/24/56/19/135245619.db2.gz ISMLEAKWYYNQKF-UHFFFAOYSA-N 2 0 236.319 1.149 20 0 BDADRP CN(C[C@]1(C)CC[NH2+]C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000261731080 135248119 /nfs/dbraw/zinc/24/81/19/135248119.db2.gz HECVDVHFVAHRKL-UONOGXRCSA-N 2 0 237.391 1.155 20 0 BDADRP CN(C[C@@]1(C)CC[NH2+]C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000261731071 135248250 /nfs/dbraw/zinc/24/82/50/135248250.db2.gz HECVDVHFVAHRKL-KBPBESRZSA-N 2 0 237.391 1.155 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@@H]21 ZINC000261785404 135252395 /nfs/dbraw/zinc/25/23/95/135252395.db2.gz PSHUDJCBYOYXDS-MELADBBJSA-N 3 0 237.391 1.045 20 0 BDADRP CN1CC[C@H]2CC[N@H+](CC3CC[NH2+]CC3)[C@@H]2C1 ZINC000261803611 135254291 /nfs/dbraw/zinc/25/42/91/135254291.db2.gz HDHQBPMCOYMPGA-UONOGXRCSA-N 2 0 237.391 1.012 20 0 BDADRP CC[C@@H]1C[C@@H](C[N@@H+]2CC[C@](C)(C[NH3+])C2)CCO1 ZINC000261897891 135261051 /nfs/dbraw/zinc/26/10/51/135261051.db2.gz WDMBXGIHBGSXFA-BFHYXJOUSA-N 2 0 240.391 1.862 20 0 BDADRP COC(=O)C(C)(C)CC[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261912857 135262597 /nfs/dbraw/zinc/26/25/97/135262597.db2.gz JMGCIFDGHCPXNU-ZDUSSCGKSA-N 2 0 242.363 1.246 20 0 BDADRP c1n[nH]cc1C1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000261917290 135262922 /nfs/dbraw/zinc/26/29/22/135262922.db2.gz KAYBPXLROSDAIP-LBPRGKRZSA-N 2 0 248.374 1.589 20 0 BDADRP C[C@]1(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)CC[NH2+]C1 ZINC000261954959 135265960 /nfs/dbraw/zinc/26/59/60/135265960.db2.gz GPDKQKCMUDHBMB-IHRRRGAJSA-N 2 0 238.375 1.487 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC[C@H]3CCOC3)C[C@@H]21 ZINC000261963899 135266680 /nfs/dbraw/zinc/26/66/80/135266680.db2.gz POUUNOZTGIHLSF-RFQIPJPRSA-N 2 0 238.375 1.472 20 0 BDADRP C[C@]1(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)CC[NH2+]C1 ZINC000261980308 135268594 /nfs/dbraw/zinc/26/85/94/135268594.db2.gz JBTRYWJJUORIDV-ZDUSSCGKSA-N 3 0 237.391 1.062 20 0 BDADRP C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1CC1CC[NH2+]CC1 ZINC000261979637 135269085 /nfs/dbraw/zinc/26/90/85/135269085.db2.gz RDBKUZWYIAHCST-NWDGAFQWSA-N 2 0 225.380 1.010 20 0 BDADRP CC(C)([NH3+])C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000262014885 135272940 /nfs/dbraw/zinc/27/29/40/135272940.db2.gz VNMNMJWKTQKJLI-LBPRGKRZSA-N 2 0 226.364 1.472 20 0 BDADRP Cc1nn(C(C)C)cc1CN1CC[C@H](C[NH3+])C1 ZINC000262016257 135272955 /nfs/dbraw/zinc/27/29/55/135272955.db2.gz VSAQYXUCJUVCJD-GFCCVEGCSA-N 2 0 236.363 1.553 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000262030865 135273666 /nfs/dbraw/zinc/27/36/66/135273666.db2.gz XDJQIAAEAVIQBN-KBPBESRZSA-N 2 0 238.375 1.344 20 0 BDADRP C[C@@]1(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)CC[NH2+]C1 ZINC000262042160 135275660 /nfs/dbraw/zinc/27/56/60/135275660.db2.gz PGVZXRZRNBGXBL-TZMCWYRMSA-N 2 0 248.374 1.589 20 0 BDADRP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@@H](C2CC2)O1 ZINC000262054013 135276722 /nfs/dbraw/zinc/27/67/22/135276722.db2.gz ZXAQCQYWNLQBNU-RISCZKNCSA-N 2 0 238.375 1.485 20 0 BDADRP C[N@H+](C[C@@H]1CCC[C@@H]1O)C[C@@]1(C)CC[NH2+]C1 ZINC000262061762 135276853 /nfs/dbraw/zinc/27/68/53/135276853.db2.gz RFBOFONWQBVPSK-AVGNSLFASA-N 2 0 226.364 1.079 20 0 BDADRP Cc1cnc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cn1 ZINC000262067301 135277065 /nfs/dbraw/zinc/27/70/65/135277065.db2.gz RRNUJHMFHKEZQC-UHFFFAOYSA-N 2 0 246.358 1.361 20 0 BDADRP C[N@H+](C[C@@H]1CCC[C@H]1O)C[C@]1(C)CC[NH2+]C1 ZINC000262061770 135277302 /nfs/dbraw/zinc/27/73/02/135277302.db2.gz RFBOFONWQBVPSK-YNEHKIRRSA-N 2 0 226.364 1.079 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCOCC(F)F)C[C@H]21 ZINC000262116247 135279400 /nfs/dbraw/zinc/27/94/00/135279400.db2.gz LHPZRZHIOOWVGK-HBNTYKKESA-N 2 0 248.317 1.327 20 0 BDADRP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000262121910 135280907 /nfs/dbraw/zinc/28/09/07/135280907.db2.gz MDJBJVZKYSSVIB-YIYPIFLZSA-N 2 0 238.375 1.125 20 0 BDADRP CC[NH2+][C@H](C)CNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000262321176 135293025 /nfs/dbraw/zinc/29/30/25/135293025.db2.gz CIVQKFNODMDIJH-DGCLKSJQSA-N 2 0 249.358 1.191 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000262408686 135295307 /nfs/dbraw/zinc/29/53/07/135295307.db2.gz CJRUYJVGTDAJQU-CHWSQXEVSA-N 2 0 249.358 1.320 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000262600505 135307772 /nfs/dbraw/zinc/30/77/72/135307772.db2.gz OLKVWBDHKMEMAI-IJLUTSLNSA-N 2 0 241.379 1.138 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000262598925 135308046 /nfs/dbraw/zinc/30/80/46/135308046.db2.gz NLGFCEMGGAAWEY-AAEUAGOBSA-N 2 0 243.395 1.336 20 0 BDADRP CC[NH+]1CCC(CCNC2=[NH+]CCCN2)CC1 ZINC000262655034 135312250 /nfs/dbraw/zinc/31/22/50/135312250.db2.gz KLRHNWOYIGCEFK-UHFFFAOYSA-N 2 0 238.379 1.047 20 0 BDADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC1=[NH+]CCCN1 ZINC000263161824 135336452 /nfs/dbraw/zinc/33/64/52/135336452.db2.gz OZRXGLWVANIZTE-TXEJJXNPSA-N 2 0 238.379 1.188 20 0 BDADRP CCc1nocc1CN1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000334294747 135341108 /nfs/dbraw/zinc/34/11/08/135341108.db2.gz UTAQETTUHGQISZ-RISCZKNCSA-N 2 0 249.358 1.763 20 0 BDADRP Cc1cc(C)c(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cc1C ZINC000263279475 135344164 /nfs/dbraw/zinc/34/41/64/135344164.db2.gz UAQYVGPLPDLXPB-LSDHHAIUSA-N 2 0 248.370 1.282 20 0 BDADRP Cn1ccnc1CNc1cc2c(c[nH+]1)CCC2 ZINC000334337917 135356657 /nfs/dbraw/zinc/35/66/57/135356657.db2.gz XBVVKSDVTRATBM-UHFFFAOYSA-N 2 0 228.299 1.916 20 0 BDADRP C([C@H]1CCC[NH2+]C1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334412714 135396380 /nfs/dbraw/zinc/39/63/80/135396380.db2.gz LKNRXLAUDXYINP-KBPBESRZSA-N 2 0 237.391 1.062 20 0 BDADRP C[C@H]1C[C@H](C[NH+]2CCC(C[NH3+])CC2)CC[NH2+]1 ZINC000334586603 135759161 /nfs/dbraw/zinc/75/91/61/135759161.db2.gz OAOWIFAODBEJEW-WCQYABFASA-N 3 0 225.380 1.045 20 0 BDADRP CCC[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000334968181 135853220 /nfs/dbraw/zinc/85/32/20/135853220.db2.gz LWBJKXZIGFARQD-CHWSQXEVSA-N 2 0 226.364 1.615 20 0 BDADRP CC1(F)CC([NH2+]C2CCC([NH3+])CC2)C1 ZINC000335009313 135864560 /nfs/dbraw/zinc/86/45/60/135864560.db2.gz WCZSGRGLPKEILJ-UHFFFAOYSA-N 2 0 200.301 1.737 20 0 BDADRP Cc1ccncc1CCC[NH2+]C[C@H](O)C(F)F ZINC000348070324 136026314 /nfs/dbraw/zinc/02/63/14/136026314.db2.gz GSOBEPSHNGLGQT-NSHDSACASA-N 2 0 244.285 1.538 20 0 BDADRP C[C@@H](NCC[C@@H]1CCC[N@@H+]1C)c1cnn(C)c1 ZINC000348309978 136066452 /nfs/dbraw/zinc/06/64/52/136066452.db2.gz QCPRBFDVCWPJKZ-YPMHNXCESA-N 2 0 236.363 1.555 20 0 BDADRP [NH3+]CC1(CN2C[C@H]([NH3+])Cc3ccccc32)CC1 ZINC000335356783 136074445 /nfs/dbraw/zinc/07/44/45/136074445.db2.gz HJUBNHSPGJYUFL-GFCCVEGCSA-N 2 0 231.343 1.115 20 0 BDADRP Fc1ccc2c(c1)[C@@H]([NH2+]CC1C[NH2+]C1)CC2 ZINC000335552586 136098505 /nfs/dbraw/zinc/09/85/05/136098505.db2.gz PJOQFPZHIYMBRW-ZDUSSCGKSA-N 2 0 220.291 1.622 20 0 BDADRP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CC1C[NH2+]C1 ZINC000335553070 136098867 /nfs/dbraw/zinc/09/88/67/136098867.db2.gz SXTOPTZSZSLMHC-LKFCYVNXSA-N 2 0 234.318 1.868 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@H](O)C(C)(C)C)C2)C1 ZINC000335569834 136109235 /nfs/dbraw/zinc/10/92/35/136109235.db2.gz IOHFXJDGNWSXFE-GXTWGEPZSA-N 2 0 240.391 1.421 20 0 BDADRP COC(=O)C(C)(C)CC[NH2+][C@H](C)CC[NH+](C)C ZINC000348707742 136116873 /nfs/dbraw/zinc/11/68/73/136116873.db2.gz JTPFZOLAUGQRQL-LLVKDONJSA-N 2 0 244.379 1.506 20 0 BDADRP CSC[C@@H]1CCC[N@@H+]1CCn1ccnc1 ZINC000162308632 397778523 /nfs/dbraw/zinc/77/85/23/397778523.db2.gz YDWUGNOYAPPSJL-NSHDSACASA-N 2 0 225.361 1.711 20 0 BDADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000647540362 397782720 /nfs/dbraw/zinc/78/27/20/397782720.db2.gz LJYJMHIFRPGGGZ-NDBYEHHHSA-N 3 0 243.370 1.006 20 0 BDADRP COC[C@H](C)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000647542451 397783578 /nfs/dbraw/zinc/78/35/78/397783578.db2.gz PCDVOMXFPQJVSP-GFCCVEGCSA-N 2 0 226.364 1.344 20 0 BDADRP COCCC[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629545375 397968756 /nfs/dbraw/zinc/96/87/56/397968756.db2.gz DCCCTNQIPQLCLI-GARJFASQSA-N 2 0 200.326 1.142 20 0 BDADRP [NH3+]CCN(Cc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000647908411 397956596 /nfs/dbraw/zinc/95/65/96/397956596.db2.gz YRWBGTSCYDQBMD-CQSZACIVSA-N 2 0 233.359 1.057 20 0 BDADRP [NH3+][C@@H]1C[C@H](NC[C@@H]2C[C@H](F)C[NH2+]2)c2ccccc21 ZINC000643538213 397919908 /nfs/dbraw/zinc/91/99/08/397919908.db2.gz BOMSYCBCOSAPIN-ZNIXKSQXSA-N 2 0 249.333 1.421 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2CCC[C@H]21 ZINC000383179186 398009569 /nfs/dbraw/zinc/00/95/69/398009569.db2.gz JLMVAPSKXCBWIW-MELADBBJSA-N 2 0 240.391 1.562 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414662209 398009906 /nfs/dbraw/zinc/00/99/06/398009906.db2.gz QPNILPOZOFHTOV-XQQFMLRXSA-N 2 0 225.380 1.186 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000414662204 398010077 /nfs/dbraw/zinc/01/00/77/398010077.db2.gz QPDJIJNEWXZIFO-SRVKXCTJSA-N 2 0 213.369 1.029 20 0 BDADRP [NH3+]CCC[N@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000414689247 398018652 /nfs/dbraw/zinc/01/86/52/398018652.db2.gz FOOOBUKQIDYHEM-OAHLLOKOSA-N 2 0 248.370 1.707 20 0 BDADRP c1cc2c(c(C[NH2+]C[C@H]3CCC[NH2+]C3)c1)NCC2 ZINC000414826577 398048454 /nfs/dbraw/zinc/04/84/54/398048454.db2.gz JENLLPQMJWFJAS-LBPRGKRZSA-N 2 0 245.370 1.744 20 0 BDADRP C[C@H]1C[C@H]1C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000414767490 398030875 /nfs/dbraw/zinc/03/08/75/398030875.db2.gz GFUJCWQQKWASST-DEQVHRJGSA-N 2 0 238.375 1.471 20 0 BDADRP CNC(=O)[C@H](CC(C)C)[NH2+][C@H](C)CCCC[NH3+] ZINC000383796384 398040753 /nfs/dbraw/zinc/04/07/53/398040753.db2.gz SBFVIYZGFIXPDW-NEPJUHHUSA-N 2 0 243.395 1.254 20 0 BDADRP C[N@H+](CCCOc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000382755889 397972432 /nfs/dbraw/zinc/97/24/32/397972432.db2.gz OQJIJDOPPZYFPZ-CQSZACIVSA-N 2 0 248.370 1.997 20 0 BDADRP C[N@H+](CCCOc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000382755888 397972634 /nfs/dbraw/zinc/97/26/34/397972634.db2.gz OQJIJDOPPZYFPZ-AWEZNQCLSA-N 2 0 248.370 1.997 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)NC1CC[NH+](CC)CC1 ZINC000038098321 397974011 /nfs/dbraw/zinc/97/40/11/397974011.db2.gz VHNDHMSVRCFYFW-CYBMUJFWSA-N 2 0 241.379 1.104 20 0 BDADRP C[NH2+]C[C@H](C)CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000414851176 398059514 /nfs/dbraw/zinc/05/95/14/398059514.db2.gz OURGNAWYFNNXMW-RFQIPJPRSA-N 2 0 239.407 1.352 20 0 BDADRP C[C@@H]1OCC[C@H]1[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414917608 398092301 /nfs/dbraw/zinc/09/23/01/398092301.db2.gz RVOLZZIGNUHBQD-QJPTWQEYSA-N 2 0 212.337 1.143 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@H](C)CCCC[NH3+] ZINC000638244696 398081313 /nfs/dbraw/zinc/08/13/13/398081313.db2.gz YCEBLNSSLFHNHW-NEPJUHHUSA-N 2 0 243.395 1.384 20 0 BDADRP COCC[N@@H+](Cc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000384408666 398088107 /nfs/dbraw/zinc/08/81/07/398088107.db2.gz IZAMDMGGPMYUDT-OAHLLOKOSA-N 2 0 248.370 1.745 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)[C@H](C)O1 ZINC000384735921 398103430 /nfs/dbraw/zinc/10/34/30/398103430.db2.gz KPXOWCSAPUFSEB-ROHXPCBUSA-N 2 0 212.337 1.412 20 0 BDADRP CO[C@H](C[NH2+][C@H](C)CC[NH+](C)C)C1CC1 ZINC000400275702 398103886 /nfs/dbraw/zinc/10/38/86/398103886.db2.gz GNHSMDTZHJCVSY-ZYHUDNBSSA-N 2 0 214.353 1.341 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC1(CCO)CC1 ZINC000643483007 398125525 /nfs/dbraw/zinc/12/55/25/398125525.db2.gz YZHRJRQFXHZTMC-VXGBXAGGSA-N 2 0 226.364 1.399 20 0 BDADRP CCC[C@H](C)C[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000414948285 398122729 /nfs/dbraw/zinc/12/27/29/398122729.db2.gz WYQCWYMMPBUXLR-STQMWFEESA-N 2 0 228.380 1.781 20 0 BDADRP Cc1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)nn1C ZINC000257663519 322872513 /nfs/dbraw/zinc/87/25/13/322872513.db2.gz GSGLXFJZFUOUBE-UHFFFAOYSA-N 2 0 248.374 1.304 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)CS1 ZINC000086935668 487593430 /nfs/dbraw/zinc/59/34/30/487593430.db2.gz QALNUVGOHTWSRJ-GRYCIOLGSA-N 2 0 228.405 1.812 20 0 BDADRP CC(C)OCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000680470300 487601584 /nfs/dbraw/zinc/60/15/84/487601584.db2.gz QBBCSCDGQOUMQW-UHFFFAOYSA-N 2 0 240.391 1.875 20 0 BDADRP [NH3+][C@H]1C[C@H](C(=O)Nc2cccc3c2CC[NH2+]C3)C1 ZINC000662416146 487604185 /nfs/dbraw/zinc/60/41/85/487604185.db2.gz USFAYZVQSLGVHA-XYPYZODXSA-N 2 0 245.326 1.008 20 0 BDADRP C[C@@H](CCCCO)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000679575673 487608269 /nfs/dbraw/zinc/60/82/69/487608269.db2.gz QEMLGPKKCHLISU-ZDUSSCGKSA-N 2 0 242.407 1.859 20 0 BDADRP C[C@H](C[NH3+])N(C)Cc1cccc2c1CC[NH2+]C2 ZINC000662243336 409535937 /nfs/dbraw/zinc/53/59/37/409535937.db2.gz ISDWLVLPTKDWGM-LLVKDONJSA-N 2 0 233.359 1.111 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@H](C[NH3+])C1)C1CCCCC1 ZINC000662245206 409537934 /nfs/dbraw/zinc/53/79/34/409537934.db2.gz IUFBYQCEIWSFQB-TZMCWYRMSA-N 2 0 240.391 1.862 20 0 BDADRP CO[C@@H](C[N@@H+]1CC[C@H](C[NH3+])C1)C1CCC1 ZINC000662246066 409541392 /nfs/dbraw/zinc/54/13/92/409541392.db2.gz NSKKGOYRBFAHJM-PWSUYJOCSA-N 2 0 212.337 1.082 20 0 BDADRP C[NH2+]CC1CC[NH+](Cc2conc2C)CC1 ZINC000662247170 409544317 /nfs/dbraw/zinc/54/43/17/409544317.db2.gz UPYPGAQCSZTRAN-UHFFFAOYSA-N 2 0 223.320 1.414 20 0 BDADRP C[C@]12COC[C@@H]1C[N@H+](CCC1CC[NH2+]CC1)C2 ZINC000662310194 409632470 /nfs/dbraw/zinc/63/24/70/409632470.db2.gz HPYROSCTNAMCAI-KBPBESRZSA-N 2 0 238.375 1.344 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H](CCF)C1 ZINC000662311296 409634779 /nfs/dbraw/zinc/63/47/79/409634779.db2.gz RPLYFUBZLRIYNK-NSHDSACASA-N 2 0 218.316 1.033 20 0 BDADRP CC1([NH3+])CC[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000662269568 409573846 /nfs/dbraw/zinc/57/38/46/409573846.db2.gz AEYJZCRFJCFLKN-ZSBIGDGJSA-N 2 0 208.349 1.846 20 0 BDADRP C[C@@H]1CCCC[C@H]1C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662283823 409614611 /nfs/dbraw/zinc/61/46/11/409614611.db2.gz KSDATWNZTSILGE-OLZOCXBDSA-N 2 0 240.391 1.517 20 0 BDADRP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662284594 409615327 /nfs/dbraw/zinc/61/53/27/409615327.db2.gz ZFCQVIGAKACTFY-FRRDWIJNSA-N 2 0 238.375 1.676 20 0 BDADRP CO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422969166 409758043 /nfs/dbraw/zinc/75/80/43/409758043.db2.gz UARBJPZRCIHBDT-IRCOFANPSA-N 2 0 214.353 1.659 20 0 BDADRP C[C@@H]1C[N@H+](CCCC2CC[NH2+]CC2)[C@H](C)CO1 ZINC000050952663 409932521 /nfs/dbraw/zinc/93/25/21/409932521.db2.gz CNFNVQLWTQCVTA-CHWSQXEVSA-N 2 0 240.391 1.875 20 0 BDADRP CCN(CC)C[C@@H](C)[NH2+][C@@H](C)CCC[NH3+] ZINC000308887959 409934484 /nfs/dbraw/zinc/93/44/84/409934484.db2.gz XJQBCCNSIORPBS-NWDGAFQWSA-N 2 0 215.385 1.434 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000336388479 410202992 /nfs/dbraw/zinc/20/29/92/410202992.db2.gz OMFQOEBLCBIBBB-AWEZNQCLSA-N 3 0 237.391 1.062 20 0 BDADRP CCOC[C@@H](C)[NH2+]Cc1ccccc1C[NH2+]C ZINC000650719201 410356021 /nfs/dbraw/zinc/35/60/21/410356021.db2.gz HNYNAWSZJMIXTB-GFCCVEGCSA-N 2 0 236.359 1.921 20 0 BDADRP COC1CCC([NH2+]CCC2(C[NH3+])CC2)CC1 ZINC000650713139 410344793 /nfs/dbraw/zinc/34/47/93/410344793.db2.gz HGBSFYRETSLBRY-UHFFFAOYSA-N 2 0 226.364 1.663 20 0 BDADRP CCOC[C@H](C)[NH2+]CCC1(C[NH3+])CC1 ZINC000650713507 410345043 /nfs/dbraw/zinc/34/50/43/410345043.db2.gz VEALMSGXQVGOBH-JTQLQIEISA-N 2 0 200.326 1.130 20 0 BDADRP Cc1ncsc1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650712816 410345870 /nfs/dbraw/zinc/34/58/70/410345870.db2.gz WGKRGKNVDRAKOT-UHFFFAOYSA-N 2 0 225.361 1.670 20 0 BDADRP [NH3+]C1CCC([NH2+][C@@H]2CNc3ccccc3C2)CC1 ZINC000650714922 410348270 /nfs/dbraw/zinc/34/82/70/410348270.db2.gz HOTWISBNYYQKIK-RUXDESIVSA-N 2 0 245.370 1.883 20 0 BDADRP C[C@H](CO)C1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000650715196 410350120 /nfs/dbraw/zinc/35/01/20/410350120.db2.gz UBJAKLMEFMSWBX-CHWSQXEVSA-N 2 0 240.391 1.326 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CCO[C@H]1C ZINC000650719469 410358609 /nfs/dbraw/zinc/35/86/09/410358609.db2.gz RCAYVAWJYSVVSB-FZMZJTMJSA-N 2 0 234.343 1.673 20 0 BDADRP c1ccc2c(c1)CC[C@@H](CCN[C@@H]1CC[NH2+]C1)N2 ZINC000650720821 410360421 /nfs/dbraw/zinc/36/04/21/410360421.db2.gz BZESCPSUOVUUAJ-UONOGXRCSA-N 2 0 245.370 1.755 20 0 BDADRP CC(C)C[N@H+](C)CCCN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000650739829 410372007 /nfs/dbraw/zinc/37/20/07/410372007.db2.gz AAHTXQZDZMUMGM-ZIAGYGMSSA-N 2 0 241.423 1.681 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000650743559 410377103 /nfs/dbraw/zinc/37/71/03/410377103.db2.gz WIHSPPYEXLUUQT-QCNOEVLYSA-N 2 0 212.337 1.413 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC2(C[NH3+])CC2)CN1C1CC1 ZINC000650745526 410383241 /nfs/dbraw/zinc/38/32/41/410383241.db2.gz IQGNTNFRLZOIJL-NEPJUHHUSA-N 2 0 237.391 1.330 20 0 BDADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1cccnc1 ZINC000650745966 410384690 /nfs/dbraw/zinc/38/46/90/410384690.db2.gz SHLAQZRGPWNXNM-LLVKDONJSA-N 2 0 219.332 1.861 20 0 BDADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)[C@@H]1CCCC[NH2+]1 ZINC000650747709 410388006 /nfs/dbraw/zinc/38/80/06/410388006.db2.gz GDLIMMRQFMZSLK-NEPJUHHUSA-N 3 0 225.380 1.236 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+]CCC2(C[NH3+])CC2)C1 ZINC000650747302 410388167 /nfs/dbraw/zinc/38/81/67/410388167.db2.gz WUQKDSUMQDFRAK-VXGBXAGGSA-N 2 0 226.364 1.663 20 0 BDADRP C[NH2+]Cc1ccccc1CN[C@@H]1CCC[C@H]1[NH3+] ZINC000650756301 410401854 /nfs/dbraw/zinc/40/18/54/410401854.db2.gz YXKJWQCAYLSNFA-ZIAGYGMSSA-N 2 0 233.359 1.375 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCC2CC[NH2+]CC2)[C@@H](C)O1 ZINC000650761633 410410653 /nfs/dbraw/zinc/41/06/53/410410653.db2.gz FWVPLNZJLQXCSN-NQBHXWOUSA-N 2 0 226.364 1.532 20 0 BDADRP [NH3+]CC1CCC([NH2+]CCC2CC[NH2+]CC2)CC1 ZINC000650762185 410411454 /nfs/dbraw/zinc/41/14/54/410411454.db2.gz WETIAJPCAKBEAW-UHFFFAOYSA-N 3 0 239.407 1.483 20 0 BDADRP C[N@H+](CCC[NH3+])Cc1ccc2c(c1)CCC2 ZINC000070063392 410457132 /nfs/dbraw/zinc/45/71/32/410457132.db2.gz HDMZHXVLNGFTDQ-UHFFFAOYSA-N 2 0 218.344 1.956 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H](CO)C2CCC2)c2ccccc21 ZINC000665234291 410724751 /nfs/dbraw/zinc/72/47/51/410724751.db2.gz AIPCIEXWFRWGPN-RBSFLKMASA-N 2 0 246.354 1.882 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H](CO)C2CCC2)C1 ZINC000665234842 410726442 /nfs/dbraw/zinc/72/64/42/410726442.db2.gz KRNFKVWAOFZXNM-IJLUTSLNSA-N 2 0 212.337 1.007 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCN(C(C)(C)C)C1 ZINC000665235937 410726808 /nfs/dbraw/zinc/72/68/08/410726808.db2.gz CTTQWCJAWKJPPD-CHWSQXEVSA-N 2 0 241.423 1.966 20 0 BDADRP Cc1cncc(CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000665273921 410743687 /nfs/dbraw/zinc/74/36/87/410743687.db2.gz GRLDHPCZWIJJGD-VXGBXAGGSA-N 2 0 234.347 1.187 20 0 BDADRP CO[C@@H](C)[C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000665280570 410754619 /nfs/dbraw/zinc/75/46/19/410754619.db2.gz GLYINBLMFUCLAD-OUAUKWLOSA-N 2 0 202.342 1.373 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000393862719 410764654 /nfs/dbraw/zinc/76/46/54/410764654.db2.gz KOBDQQQFVFBZOC-MJBXVCDLSA-N 2 0 242.407 1.665 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000393952845 410771166 /nfs/dbraw/zinc/77/11/66/410771166.db2.gz QVWZUXRWDWVGIJ-QJPTWQEYSA-N 2 0 212.337 1.271 20 0 BDADRP COCC[C@H](C)[NH+]1CCC(C)([NH3+])CC1 ZINC000393613664 410749539 /nfs/dbraw/zinc/74/95/39/410749539.db2.gz IBPDQYRSIHPADV-JTQLQIEISA-N 2 0 200.326 1.225 20 0 BDADRP C[NH2+]C[C@H](C)N[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000665297813 410824429 /nfs/dbraw/zinc/82/44/29/410824429.db2.gz LZAFFJPLNYVOTE-WUHRBBMRSA-N 2 0 225.380 1.057 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCCCN1)C1CC[NH+](C)CC1 ZINC000396452292 410884002 /nfs/dbraw/zinc/88/40/02/410884002.db2.gz VPMJKHZLSSISNS-JSGCOSHPSA-N 2 0 239.407 1.448 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC3(F)CC3)C[C@@H]21 ZINC000309420153 410941729 /nfs/dbraw/zinc/94/17/29/410941729.db2.gz XUMCPRMISLXCHB-GARJFASQSA-N 2 0 212.312 1.548 20 0 BDADRP CC1([NH3+])CC[NH+](CCOCC2CC2)CC1 ZINC000309385398 410930554 /nfs/dbraw/zinc/93/05/54/410930554.db2.gz DYNFESQISLMVRE-UHFFFAOYSA-N 2 0 212.337 1.226 20 0 BDADRP CCO[C@H]1CCC[N@H+](CCC[NH2+]C)C1 ZINC000042424616 411003697 /nfs/dbraw/zinc/00/36/97/411003697.db2.gz MFRXAGZFLXCETM-NSHDSACASA-N 2 0 200.326 1.097 20 0 BDADRP CC[N@H+](C[C@@H]1CCOC1)C[C@H]1CCC[NH2+]C1 ZINC000300046063 411077580 /nfs/dbraw/zinc/07/75/80/411077580.db2.gz QWJFMBDKMPTJQX-STQMWFEESA-N 2 0 226.364 1.344 20 0 BDADRP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400916032 411163204 /nfs/dbraw/zinc/16/32/04/411163204.db2.gz HNEZXYQQWLYVTO-LBELIVKGSA-N 2 0 208.349 1.763 20 0 BDADRP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400939113 411163296 /nfs/dbraw/zinc/16/32/96/411163296.db2.gz ALHNJRYWDOWORG-RXGFPQBGSA-N 2 0 238.375 1.124 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400919757 411163456 /nfs/dbraw/zinc/16/34/56/411163456.db2.gz IVWGAYDEDPPSQQ-NJMOYASZSA-N 2 0 208.349 1.620 20 0 BDADRP COC[C@@H](C)C[NH2+]CCC[N@H+](C)CC(C)C ZINC000651865703 411147908 /nfs/dbraw/zinc/14/79/08/411147908.db2.gz FGFUIEYPEIOKQZ-ZDUSSCGKSA-N 2 0 230.396 1.836 20 0 BDADRP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CCCOC1 ZINC000651865718 411148170 /nfs/dbraw/zinc/14/81/70/411148170.db2.gz FQQFBDAOBAEHHE-ZDUSSCGKSA-N 2 0 228.380 1.733 20 0 BDADRP Cc1noc(C)c1C[NH2+]CC1CC[NH2+]CC1 ZINC000045949197 411150362 /nfs/dbraw/zinc/15/03/62/411150362.db2.gz KKXZNZMUYMYWBP-UHFFFAOYSA-N 2 0 223.320 1.381 20 0 BDADRP [NH3+]CCC[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000655946499 411161265 /nfs/dbraw/zinc/16/12/65/411161265.db2.gz MGOMUSSGZAFDGC-LBPRGKRZSA-N 2 0 212.337 1.369 20 0 BDADRP CCOCCCN1CC2CCC1(C[NH3+])CC2 ZINC000655943191 411161821 /nfs/dbraw/zinc/16/18/21/411161821.db2.gz JQBNIYFMAPHPDK-UHFFFAOYSA-N 2 0 226.364 1.616 20 0 BDADRP c1coc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000401118637 411168070 /nfs/dbraw/zinc/16/80/70/411168070.db2.gz IXCQPTKGICWJMY-FRRDWIJNSA-N 2 0 234.343 1.800 20 0 BDADRP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400997142 411168438 /nfs/dbraw/zinc/16/84/38/411168438.db2.gz JGCAXEMWYQVPII-PDWCTOEPSA-N 2 0 240.391 1.371 20 0 BDADRP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400997140 411168696 /nfs/dbraw/zinc/16/86/96/411168696.db2.gz JGCAXEMWYQVPII-ODXJTPSBSA-N 2 0 240.391 1.371 20 0 BDADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000401005393 411169040 /nfs/dbraw/zinc/16/90/40/411169040.db2.gz BMNFXPDMDCKPOW-RRFJBIMHSA-N 3 0 249.402 1.226 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@H](C)O ZINC000401010820 411171132 /nfs/dbraw/zinc/17/11/32/411171132.db2.gz RPSJRYGVYOGUSK-OFTGVCEQSA-N 2 0 226.364 1.124 20 0 BDADRP C[C@H](CCCO)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401037966 411173670 /nfs/dbraw/zinc/17/36/70/411173670.db2.gz ZQRHBCIKHDCOSD-FDYHWXHSSA-N 2 0 226.364 1.125 20 0 BDADRP CCC[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)OC ZINC000401051234 411174933 /nfs/dbraw/zinc/17/49/33/411174933.db2.gz YFHOEMPZSCHYJE-IGQOVBAYSA-N 2 0 240.391 1.779 20 0 BDADRP OCC1(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000401085876 411176292 /nfs/dbraw/zinc/17/62/92/411176292.db2.gz REIBJXFYUFKPSA-RWMBFGLXSA-N 2 0 238.375 1.127 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cn[nH]c1 ZINC000401102176 411176722 /nfs/dbraw/zinc/17/67/22/411176722.db2.gz DDQTXTIJYOHIPQ-MRBYEJRBSA-N 2 0 234.347 1.448 20 0 BDADRP COCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401117006 411176864 /nfs/dbraw/zinc/17/68/64/411176864.db2.gz IMMBFDHGIRRKEO-IJLUTSLNSA-N 2 0 212.337 1.001 20 0 BDADRP Cc1n[nH]cc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401115935 411177045 /nfs/dbraw/zinc/17/70/45/411177045.db2.gz IJGFHZPTHQASHW-NQBHXWOUSA-N 2 0 234.347 1.196 20 0 BDADRP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCSC1 ZINC000401094124 411178025 /nfs/dbraw/zinc/17/80/25/411178025.db2.gz ZGBFVOLVJLMBAY-MROQNXINSA-N 2 0 240.416 1.717 20 0 BDADRP C1[NH2+]C[C@H]2CC[C@@H]([NH2+][C@@H]3CCCOCC3)C[C@@H]12 ZINC000401150856 411178349 /nfs/dbraw/zinc/17/83/49/411178349.db2.gz PJOODABQXWQOSJ-XJFOESAGSA-N 2 0 238.375 1.533 20 0 BDADRP CCOCCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401093075 411178682 /nfs/dbraw/zinc/17/86/82/411178682.db2.gz VYQCVKCODZRNNJ-MELADBBJSA-N 2 0 240.391 1.781 20 0 BDADRP OCCCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401091136 411178738 /nfs/dbraw/zinc/17/87/38/411178738.db2.gz XZEXFMAYPHEHFO-FRRDWIJNSA-N 2 0 226.364 1.127 20 0 BDADRP CC(C)n1cc(C[NH2+]CCCC[NH+](C)C)nn1 ZINC000336713901 167749540 /nfs/dbraw/zinc/74/95/40/167749540.db2.gz RULMTPQMXSGZND-UHFFFAOYSA-N 2 0 239.367 1.290 20 0 BDADRP C[C@H]([NH2+][C@@H](CO)CCF)C1CC[NH+](C)CC1 ZINC000652305780 411195283 /nfs/dbraw/zinc/19/52/83/411195283.db2.gz IXFMZOKDHUEUQY-CMPLNLGQSA-N 2 0 232.343 1.027 20 0 BDADRP C[C@@H](Cc1ccccn1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000656193855 411199554 /nfs/dbraw/zinc/19/95/54/411199554.db2.gz VZDFAROOTULMAL-STQMWFEESA-N 2 0 233.359 1.602 20 0 BDADRP COCC1(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000656200297 411203852 /nfs/dbraw/zinc/20/38/52/411203852.db2.gz LBBKVJKNAUCPMO-WDEREUQCSA-N 2 0 212.337 1.273 20 0 BDADRP Cc1cnc(CC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c(C)c1 ZINC000656199752 411204054 /nfs/dbraw/zinc/20/40/54/411204054.db2.gz BXSVYDYFZNUCHT-UKRRQHHQSA-N 2 0 247.386 1.958 20 0 BDADRP CCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652360825 411217118 /nfs/dbraw/zinc/21/71/18/411217118.db2.gz RDHTZALBVBFYBW-YNEHKIRRSA-N 2 0 226.364 1.757 20 0 BDADRP CC(C)OC1CC([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000656268606 411222738 /nfs/dbraw/zinc/22/27/38/411222738.db2.gz FQJYNUADULYYRU-GIPGFSNBSA-N 2 0 240.391 1.872 20 0 BDADRP CC[N@H+](CCN[C@@H]1CCCCC[C@H]1[NH3+])C1CC1 ZINC000422883713 411233228 /nfs/dbraw/zinc/23/32/28/411233228.db2.gz VKTUNLYJJQJGOE-ZIAGYGMSSA-N 2 0 239.407 1.720 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCc1ccccc1O ZINC000422976277 411234864 /nfs/dbraw/zinc/23/48/64/411234864.db2.gz UVKRISYYFKVXKD-VXGBXAGGSA-N 2 0 220.316 1.404 20 0 BDADRP CC[N@@H+]1CCCC[C@H]1CN[C@H](C)C1C[NH2+]C1 ZINC000422905645 411235270 /nfs/dbraw/zinc/23/52/70/411235270.db2.gz IMSZIKSIPWEXAY-YPMHNXCESA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@H]2C[NH3+])[C@H](C)O1 ZINC000423193757 411238261 /nfs/dbraw/zinc/23/82/61/411238261.db2.gz WFAXEEYSKBQQRS-KSSYENDESA-N 2 0 226.364 1.517 20 0 BDADRP Cc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccn1 ZINC000400909330 411165607 /nfs/dbraw/zinc/16/56/07/411165607.db2.gz AUKAVVXFNOAULX-SOUVJXGZSA-N 2 0 245.370 1.868 20 0 BDADRP O[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000400978010 411167609 /nfs/dbraw/zinc/16/76/09/411167609.db2.gz SOIYYYJLGQASHC-QSLWVIQJSA-N 2 0 238.375 1.125 20 0 BDADRP CC(C)C[N@H+](C)CCCNC(=O)[C@H](C)[NH+](C)C ZINC000652522631 411265175 /nfs/dbraw/zinc/26/51/75/411265175.db2.gz QAKURNRJQAXIAS-LBPRGKRZSA-N 2 0 243.395 1.031 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000658160993 411272345 /nfs/dbraw/zinc/27/23/45/411272345.db2.gz HSZMJTJYHHKKAD-MRVWCRGKSA-N 2 0 240.391 1.874 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000658160995 411272664 /nfs/dbraw/zinc/27/26/64/411272664.db2.gz HSZMJTJYHHKKAD-UBHSHLNASA-N 2 0 240.391 1.874 20 0 BDADRP CC(C)n1ccnc1CN1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000649419043 411284114 /nfs/dbraw/zinc/28/41/14/411284114.db2.gz CITKHBUFFNRQJT-CHWSQXEVSA-N 2 0 248.374 1.648 20 0 BDADRP COc1ccc(C[N@H+](C)C[C@@H]2CC[NH2+]C2)cc1 ZINC000051889994 411284633 /nfs/dbraw/zinc/28/46/33/411284633.db2.gz ZTBPMYHYQOTFEG-CYBMUJFWSA-N 2 0 234.343 1.737 20 0 BDADRP CC[NH+]1CCC([NH2+]CCc2ccoc2)CC1 ZINC000658198725 411290378 /nfs/dbraw/zinc/29/03/78/411290378.db2.gz KSAIWQRLPBSDTP-UHFFFAOYSA-N 2 0 222.332 1.896 20 0 BDADRP C[NH+](C)C1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000162508248 411298820 /nfs/dbraw/zinc/29/88/20/411298820.db2.gz KSNSISYCSUFLJW-AWEZNQCLSA-N 3 0 239.407 1.497 20 0 BDADRP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCCO1 ZINC000400964035 411325166 /nfs/dbraw/zinc/32/51/66/411325166.db2.gz MEHBKEOJUAULSB-XQHKEYJVSA-N 2 0 224.348 1.143 20 0 BDADRP [NH3+]C[C@H](NCc1ccc2c(c1)C[NH2+]CC2)C1CC1 ZINC000656785220 411357258 /nfs/dbraw/zinc/35/72/58/411357258.db2.gz FUEVSFDEDVMIML-HNNXBMFYSA-N 2 0 245.370 1.159 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1cccc(N)c1 ZINC000656784926 411361296 /nfs/dbraw/zinc/36/12/96/411361296.db2.gz HYZXYBUKMRQZBZ-RISCZKNCSA-N 2 0 233.359 1.889 20 0 BDADRP C1CC1[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[NH2+]C1 ZINC000656788005 411368285 /nfs/dbraw/zinc/36/82/85/411368285.db2.gz GWADUQOHISSVEP-AVGNSLFASA-N 2 0 208.349 1.907 20 0 BDADRP CC[N@@H+]1CC[C@H](NCC2([NH3+])CCCC2)[C@H](C)C1 ZINC000656789593 411369255 /nfs/dbraw/zinc/36/92/55/411369255.db2.gz RSXZCJCXHVYNSI-OLZOCXBDSA-N 2 0 239.407 1.578 20 0 BDADRP [NH3+]CC1CCC([NH2+]CC2([NH3+])CCCC2)CC1 ZINC000656788800 411369501 /nfs/dbraw/zinc/36/95/01/411369501.db2.gz CQPGMDJHFDYQFK-UHFFFAOYSA-N 3 0 225.380 1.365 20 0 BDADRP COC[C@@H](CC(C)C)[NH2+]CC1([NH3+])CCCC1 ZINC000656789072 411369591 /nfs/dbraw/zinc/36/95/91/411369591.db2.gz IEZYECJBAYFZHZ-GFCCVEGCSA-N 2 0 228.380 1.909 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@]2(C)OC)[C@H](C)C1 ZINC000658330365 411338637 /nfs/dbraw/zinc/33/86/37/411338637.db2.gz CXUQZWGXELNXBP-XQHKEYJVSA-N 2 0 226.364 1.484 20 0 BDADRP CC1(C)[C@@H]2C[N@@H+](C[C@]3(C)CC[NH2+]C3)C[C@@H]21 ZINC000261555109 168012179 /nfs/dbraw/zinc/01/21/79/168012179.db2.gz URZTWXFQMHGSRS-NTZNESFSSA-N 2 0 208.349 1.574 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000403485235 411348663 /nfs/dbraw/zinc/34/86/63/411348663.db2.gz UANPTJLPGMHWBC-CLPYTZEMSA-N 2 0 208.349 1.905 20 0 BDADRP C[C@@H](C[C@H]1COCCN1)[NH2+]C1CC(C)C1 ZINC000123372168 168146930 /nfs/dbraw/zinc/14/69/30/168146930.db2.gz DJGXUWQYCWVCIK-ADPBJBESSA-N 2 0 212.337 1.142 20 0 BDADRP C[C@@H]1OCC[C@H]1[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000119913105 168179466 /nfs/dbraw/zinc/17/94/66/168179466.db2.gz XWHDGIPELOSKPD-UONOGXRCSA-N 2 0 240.391 1.875 20 0 BDADRP CC1CC[NH+](CCCNC2=[NH+]CCCN2)CC1 ZINC000303269252 168180003 /nfs/dbraw/zinc/18/00/03/168180003.db2.gz ZZZMJMIIWLXMQQ-UHFFFAOYSA-N 2 0 238.379 1.047 20 0 BDADRP CC1CC[NH+](CCNC2CC[NH+](C)CC2)CC1 ZINC000040771093 168180660 /nfs/dbraw/zinc/18/06/60/168180660.db2.gz WUBVWFUHXAYNMM-UHFFFAOYSA-N 2 0 239.407 1.402 20 0 BDADRP CC1CC[NH+](CCN[C@H]2CCC[NH2+]CC2)CC1 ZINC000129178042 168181682 /nfs/dbraw/zinc/18/16/82/168181682.db2.gz BZQDHNYLKQYHBU-AWEZNQCLSA-N 2 0 239.407 1.450 20 0 BDADRP C[C@H]1CCC[N@H+](CCCF)[C@@H]1CC[NH3+] ZINC000404305403 411390027 /nfs/dbraw/zinc/39/00/27/411390027.db2.gz RUMMUZWIUMSQLP-WDEREUQCSA-N 2 0 202.317 1.795 20 0 BDADRP CCOCC[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404309023 411390262 /nfs/dbraw/zinc/39/02/62/411390262.db2.gz JMNPKXJPFYBAKE-NEPJUHHUSA-N 2 0 214.353 1.472 20 0 BDADRP CC(C)OCC[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404360399 411391439 /nfs/dbraw/zinc/39/14/39/411391439.db2.gz DYDWUVATLQFHTA-STQMWFEESA-N 2 0 228.380 1.861 20 0 BDADRP COCCOCC[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404384934 411392275 /nfs/dbraw/zinc/39/22/75/411392275.db2.gz NWOVVTMSFZSPSD-QWHCGFSZSA-N 2 0 244.379 1.099 20 0 BDADRP Cc1c[nH]c(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000657312631 411460897 /nfs/dbraw/zinc/46/08/97/411460897.db2.gz BNWJDBTWGHHFNT-RYUDHWBXSA-N 2 0 234.347 1.435 20 0 BDADRP CC[N@H+](C)C[C@H](O)CN1Cc2ccccc2[C@H]1C ZINC000653562821 411421918 /nfs/dbraw/zinc/42/19/18/411421918.db2.gz LEVCHFUJULKHPS-OCCSQVGLSA-N 2 0 248.370 1.876 20 0 BDADRP CC[C@H]1C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)CO1 ZINC000657285434 411444055 /nfs/dbraw/zinc/44/40/55/411444055.db2.gz FPRXKFMTBRFMPY-RYUDHWBXSA-N 2 0 228.380 1.731 20 0 BDADRP Cc1c[nH]c(CNCC2([NH+](C)C)CCCC2)n1 ZINC000657295689 411454593 /nfs/dbraw/zinc/45/45/93/411454593.db2.gz JDTVGBYGGLQNQL-UHFFFAOYSA-N 2 0 236.363 1.682 20 0 BDADRP C[C@]1(C[NH2+]CCc2ccccc2)CC[NH2+]C1 ZINC000415088840 411490712 /nfs/dbraw/zinc/49/07/12/411490712.db2.gz VRVYPNSQSWPPCS-CQSZACIVSA-N 2 0 218.344 1.818 20 0 BDADRP CCCCOCC[NH+]1CCC(C)([NH3+])CC1 ZINC000309465508 411496310 /nfs/dbraw/zinc/49/63/10/411496310.db2.gz PUZGZPQUQKWGDG-UHFFFAOYSA-N 2 0 214.353 1.616 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CO1 ZINC000655802515 411518234 /nfs/dbraw/zinc/51/82/34/411518234.db2.gz DVNWVMHSFJSYHJ-WYUUTHIRSA-N 2 0 212.337 1.094 20 0 BDADRP Cc1ncncc1[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655803784 411518898 /nfs/dbraw/zinc/51/88/98/411518898.db2.gz YKOXQYHUDIMJGJ-RTXFEEFZSA-N 2 0 248.374 1.776 20 0 BDADRP c1cc(C[NH2+][C@@H]2CC23CC3)n(-c2cc[nH+]cc2)n1 ZINC000657496440 411535033 /nfs/dbraw/zinc/53/50/33/411535033.db2.gz SUDHECSFVFAEFL-CYBMUJFWSA-N 2 0 240.310 1.909 20 0 BDADRP COCC1(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000655818771 411526047 /nfs/dbraw/zinc/52/60/47/411526047.db2.gz UEPODBGEFWIPFY-RYUDHWBXSA-N 2 0 226.364 1.485 20 0 BDADRP CCc1nocc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655824140 411526509 /nfs/dbraw/zinc/52/65/09/411526509.db2.gz GELSPTHQCRJEFI-KLPPZKSPSA-N 2 0 237.347 1.667 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccncc2)C1 ZINC000655826169 411526700 /nfs/dbraw/zinc/52/67/00/411526700.db2.gz RRNIGOAZEYYEAA-BETUJISGSA-N 2 0 219.332 1.511 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccncc2C)C1 ZINC000296226895 170007592 /nfs/dbraw/zinc/00/75/92/170007592.db2.gz CCKRUXKDIKBHTO-ZDUSSCGKSA-N 2 0 233.359 1.821 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccn(C)c2)C1 ZINC000085590815 170007935 /nfs/dbraw/zinc/00/79/35/170007935.db2.gz UORDSATTXYUXBQ-ZDUSSCGKSA-N 2 0 221.348 1.457 20 0 BDADRP CC[N@@H+]1CC[C@@H](CNC2CC[NH+](C)CC2)C1 ZINC000037484179 170008593 /nfs/dbraw/zinc/00/85/93/170008593.db2.gz RJRLWDIKSXCHEW-LBPRGKRZSA-N 3 0 225.380 1.012 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CC(O)(CC)CC)[C@@H](C)C1 ZINC000305103751 170012854 /nfs/dbraw/zinc/01/28/54/170012854.db2.gz CFGCAGZOQYCFBP-QWHCGFSZSA-N 2 0 242.407 1.857 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+]CC2(SC)CC2)C1 ZINC000336707055 170015296 /nfs/dbraw/zinc/01/52/96/170015296.db2.gz RPRVFHYHXXNLFY-LLVKDONJSA-N 2 0 228.405 1.813 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCc3n[nH]cc32)C1 ZINC000367596088 170016470 /nfs/dbraw/zinc/01/64/70/170016470.db2.gz DBDLQSPWQDWUHS-YPMHNXCESA-N 2 0 248.374 1.719 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)CC2(C)COC2)[C@@H](C)C1 ZINC000336714356 170019355 /nfs/dbraw/zinc/01/93/55/170019355.db2.gz TUEWRMYYWUDMMQ-STQMWFEESA-N 2 0 240.391 1.685 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC[C@@H](C)O)[C@H](C)C1 ZINC000336730884 170019614 /nfs/dbraw/zinc/01/96/14/170019614.db2.gz YJRUQKRNGZWRPV-MCIONIFRSA-N 2 0 242.407 1.810 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)OC)[C@H](C)C1 ZINC000122212412 170020209 /nfs/dbraw/zinc/02/02/09/170020209.db2.gz GHASHWZEUONMTI-NEPJUHHUSA-N 2 0 228.380 1.731 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC(O)(CC)CC)[C@H](C)C1 ZINC000305103749 170021494 /nfs/dbraw/zinc/02/14/94/170021494.db2.gz CFGCAGZOQYCFBP-OLZOCXBDSA-N 2 0 242.407 1.857 20 0 BDADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@@H](C)CC[NH+](C)C)C1 ZINC000309958783 170038969 /nfs/dbraw/zinc/03/89/69/170038969.db2.gz JYJUHKZTQMTMRO-RWMBFGLXSA-N 2 0 227.396 1.256 20 0 BDADRP CC(C)(C)N1CC[C@@H]1C[NH2+]CC1(C)COC1 ZINC000657526150 411542631 /nfs/dbraw/zinc/54/26/31/411542631.db2.gz BGPUGSRDLAZPRT-LLVKDONJSA-N 2 0 226.364 1.485 20 0 BDADRP CCNC(=O)C[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC000020049084 170065179 /nfs/dbraw/zinc/06/51/79/170065179.db2.gz IIJHNARCWMEFAQ-LBPRGKRZSA-N 2 0 243.395 1.223 20 0 BDADRP CC[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000032024427 170127044 /nfs/dbraw/zinc/12/70/44/170127044.db2.gz ZOZDLEOEGDSQIU-UHFFFAOYSA-N 2 0 222.332 1.737 20 0 BDADRP CC[NH2+]Cc1cccc(NC(=O)CC[C@@H](C)[NH3+])c1 ZINC000193170060 170128455 /nfs/dbraw/zinc/12/84/55/170128455.db2.gz SNCOVBSHSFZGAS-LLVKDONJSA-N 2 0 249.358 1.862 20 0 BDADRP CC(C)C([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)C(C)C ZINC000660213395 411553530 /nfs/dbraw/zinc/55/35/30/411553530.db2.gz SQUNTHXQZADFSF-CYBMUJFWSA-N 2 0 244.423 1.958 20 0 BDADRP CCOC(=O)[C@@H](CC)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000227082875 170250385 /nfs/dbraw/zinc/25/03/85/170250385.db2.gz BITQYMXXLXTMAY-NWDGAFQWSA-N 2 0 242.363 1.389 20 0 BDADRP CCOCCCC[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000336746402 170369084 /nfs/dbraw/zinc/36/90/84/170369084.db2.gz BJYJPSOYROAVEB-NWDGAFQWSA-N 2 0 214.353 1.343 20 0 BDADRP COC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663345873 411633875 /nfs/dbraw/zinc/63/38/75/411633875.db2.gz NDQPFBGKYNVRGH-JSGCOSHPSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H](O)C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000663374840 411640572 /nfs/dbraw/zinc/64/05/72/411640572.db2.gz PDBDPTLFOSDCCO-LLVKDONJSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H]1CN(C)C[C@H]1[NH2+]CCCc1ccco1 ZINC000657783841 411595042 /nfs/dbraw/zinc/59/50/42/411595042.db2.gz XUMUUPLHRGXRHL-DGCLKSJQSA-N 2 0 222.332 1.752 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000657842015 411610039 /nfs/dbraw/zinc/61/00/39/411610039.db2.gz SHWPLYKPDVQJAR-STQMWFEESA-N 2 0 238.375 1.629 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)C2(OC)CCC2)C1 ZINC000657843463 411610444 /nfs/dbraw/zinc/61/04/44/411610444.db2.gz ZCRGDJXCLORUNG-QWHCGFSZSA-N 2 0 240.391 1.875 20 0 BDADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H]1CCOC1)C2 ZINC000660654867 411613036 /nfs/dbraw/zinc/61/30/36/411613036.db2.gz IQVSKNNCYPUUMY-UONOGXRCSA-N 2 0 238.375 1.441 20 0 BDADRP COC[C@H](C)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660659191 411614237 /nfs/dbraw/zinc/61/42/37/411614237.db2.gz NLYSBKXYQBSYSD-QWHCGFSZSA-N 2 0 226.364 1.439 20 0 BDADRP CC[C@@H](C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)OC ZINC000660663665 411615683 /nfs/dbraw/zinc/61/56/83/411615683.db2.gz OUCXPZJPQSKLDH-KBPBESRZSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@H]([NH3+])c1ccc(C[NH2+]C[C@]23C[C@H]2C[NH2+]C3)cc1 ZINC000663495580 411674362 /nfs/dbraw/zinc/67/43/62/411674362.db2.gz ZKDAUEJJCSOFNL-CQDKDKBSSA-N 3 0 245.370 1.405 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccncc1 ZINC000663498580 411681035 /nfs/dbraw/zinc/68/10/35/411681035.db2.gz PRMOMVHHMJMCPC-GFCCVEGCSA-N 2 0 207.321 1.545 20 0 BDADRP [NH3+]Cc1ccc(NC[C@@]23C[C@@H]2C[NH2+]C3)cc1 ZINC000663498017 411681786 /nfs/dbraw/zinc/68/17/86/411681786.db2.gz QIXSELZRYOJWHV-YPMHNXCESA-N 2 0 217.316 1.167 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cnc2ccccn12 ZINC000663499344 411684233 /nfs/dbraw/zinc/68/42/33/411684233.db2.gz YNMJQWUKTWRTJW-CYBMUJFWSA-N 2 0 246.358 1.797 20 0 BDADRP Cc1cc(NCC[C@@H](C)[NH+](C)C)cc[nH+]1 ZINC000664244527 411896911 /nfs/dbraw/zinc/89/69/11/411896911.db2.gz LEQISUSNWNFNHJ-LLVKDONJSA-N 2 0 207.321 1.564 20 0 BDADRP CCC[N@H+](C)CC(C)(C)NC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000664719744 412014449 /nfs/dbraw/zinc/01/44/49/412014449.db2.gz XIBFCXCAAVQYNY-MNOVXSKESA-N 2 0 243.395 1.206 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@H]2COC[C@@H]2C1 ZINC000662034516 411953916 /nfs/dbraw/zinc/95/39/16/411953916.db2.gz NPRIXJHNLGYKKI-MELADBBJSA-N 2 0 238.375 1.439 20 0 BDADRP Cc1cc(CN2CC[C@@H]([NH3+])[C@H](C)C2)nc(C)n1 ZINC000662244877 412042126 /nfs/dbraw/zinc/04/21/26/412042126.db2.gz OJSYWVGGKYLRKD-NOZJJQNGSA-N 2 0 234.347 1.263 20 0 BDADRP CCc1nocc1C[NH+]1CCC(C[NH2+]C)CC1 ZINC000662247731 412044578 /nfs/dbraw/zinc/04/45/78/412044578.db2.gz ZIXSZGPWBUYFCH-UHFFFAOYSA-N 2 0 237.347 1.668 20 0 BDADRP CO[C@@H](C[NH2+][C@](C)(C[NH3+])C1CC1)C1CCC1 ZINC000662247918 412044991 /nfs/dbraw/zinc/04/49/91/412044991.db2.gz OOLZQCHHECSPLW-QWHCGFSZSA-N 2 0 226.364 1.519 20 0 BDADRP Cc1nocc1CN(C)CC(C)(C)C[NH3+] ZINC000662247375 412045138 /nfs/dbraw/zinc/04/51/38/412045138.db2.gz GCLOJDZLNKNLJR-UHFFFAOYSA-N 2 0 211.309 1.400 20 0 BDADRP CC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249659 412047165 /nfs/dbraw/zinc/04/71/65/412047165.db2.gz RQUZQZVPCSJBKC-OLZOCXBDSA-N 2 0 238.375 1.772 20 0 BDADRP CCCC[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662252233 412050162 /nfs/dbraw/zinc/05/01/62/412050162.db2.gz MXNKWVQXAIOFQN-ZDUSSCGKSA-N 2 0 238.375 1.772 20 0 BDADRP CC[C@@H]1CC[C@@H](C)[N@@H+]1CCN1CC[NH2+]CC1 ZINC000136184954 171037783 /nfs/dbraw/zinc/03/77/83/171037783.db2.gz AMILAOBJIQSWRT-CHWSQXEVSA-N 2 0 225.380 1.155 20 0 BDADRP CC[C@@H]1CO[C@H](C)CN1CC(C)(C)[NH3+] ZINC000042452065 171112819 /nfs/dbraw/zinc/11/28/19/171112819.db2.gz FUOQNTUDGBPDMN-NXEZZACHSA-N 2 0 200.326 1.223 20 0 BDADRP CC[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H]([NH3+])C2)CCO1 ZINC000346083263 171119659 /nfs/dbraw/zinc/11/96/59/171119659.db2.gz QSUKYNCTVXFONZ-YNEHKIRRSA-N 2 0 226.364 1.615 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CC[NH2+]CC1(C)C)C1CCC1 ZINC000662275534 412067956 /nfs/dbraw/zinc/06/79/56/412067956.db2.gz BVXAROKVTMWQGG-OLZOCXBDSA-N 2 0 240.391 1.779 20 0 BDADRP CCC[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662279059 412071133 /nfs/dbraw/zinc/07/11/33/412071133.db2.gz FKGDUHNVEMCOHB-GFCCVEGCSA-N 2 0 224.348 1.382 20 0 BDADRP C[N@H+](C[C@@H](O)C[NH3+])C[C@H]1CCCCC1(C)C ZINC000662278639 412071584 /nfs/dbraw/zinc/07/15/84/412071584.db2.gz ZTWNGSRGRHBUMG-NEPJUHHUSA-N 2 0 228.380 1.454 20 0 BDADRP CC[C@@](C)(O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000336258004 171179675 /nfs/dbraw/zinc/17/96/75/171179675.db2.gz QBGSMDOCVARVQH-ZIAGYGMSSA-N 2 0 240.391 1.565 20 0 BDADRP OCC1([NH2+]CC2CCCCCC2)CC[NH2+]CC1 ZINC000662284926 412077835 /nfs/dbraw/zinc/07/78/35/412077835.db2.gz QYWUWLMAPDDTML-UHFFFAOYSA-N 2 0 240.391 1.661 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1)c1ccccc1 ZINC000662281011 412072377 /nfs/dbraw/zinc/07/23/77/412072377.db2.gz HGYFVHNUXDSYMF-OCCSQVGLSA-N 2 0 246.354 1.858 20 0 BDADRP CC(C)C[C@H](C)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662282534 412073109 /nfs/dbraw/zinc/07/31/09/412073109.db2.gz BMUACHYMJREKNA-LBPRGKRZSA-N 2 0 228.380 1.373 20 0 BDADRP [NH3+]C[C@H]1C[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CCCO1 ZINC000662282867 412075885 /nfs/dbraw/zinc/07/58/85/412075885.db2.gz YHLQRPNNULRCEH-RNJOBUHISA-N 2 0 224.348 1.082 20 0 BDADRP CC[C@H](C)[C@H](C[NH2+][C@H](C)CCC[NH3+])OC ZINC000362977648 171392810 /nfs/dbraw/zinc/39/28/10/171392810.db2.gz SOMISLACCZEYTJ-TUAOUCFPSA-N 2 0 216.369 1.765 20 0 BDADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000041680106 171395207 /nfs/dbraw/zinc/39/52/07/171395207.db2.gz FYDBLLLSVHWVDL-SRVKXCTJSA-N 2 0 243.395 1.206 20 0 BDADRP OCC[C@@H]1CCCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000662299428 412086517 /nfs/dbraw/zinc/08/65/17/412086517.db2.gz PNVFHRKASWUYNT-KGLIPLIRSA-N 2 0 240.391 1.613 20 0 BDADRP C(C[N@@H+]1CCC[C@@H]2OCC[C@@H]21)[C@@H]1CC[NH2+]C1 ZINC000662298565 412087141 /nfs/dbraw/zinc/08/71/41/412087141.db2.gz NRTDZEHXDVLNCH-AVGNSLFASA-N 2 0 224.348 1.239 20 0 BDADRP C[NH2+]CCCN1C[C@@H]([NH3+])CCc2ccccc21 ZINC000662301885 412088303 /nfs/dbraw/zinc/08/83/03/412088303.db2.gz JAMNPJYMATZNGZ-ZDUSSCGKSA-N 2 0 233.359 1.376 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCCC[C@@H]1[C@@H](C)CO ZINC000662302127 412088417 /nfs/dbraw/zinc/08/84/17/412088417.db2.gz XDLLNMGCYXPBHG-NWDGAFQWSA-N 2 0 214.353 1.079 20 0 BDADRP [NH3+]CCCN1C[C@@H]([NH3+])CCc2ccccc21 ZINC000662301876 412089774 /nfs/dbraw/zinc/08/97/74/412089774.db2.gz IYTVSAAYBVVNGC-LBPRGKRZSA-N 2 0 219.332 1.115 20 0 BDADRP FCC[C@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000662312186 412094586 /nfs/dbraw/zinc/09/45/86/412094586.db2.gz XAZLQCWLYBTLIF-NEPJUHHUSA-N 2 0 214.328 1.668 20 0 BDADRP C(C[N@@H+]1CC[C@]2(C1)CCCOC2)[C@@H]1CC[NH2+]C1 ZINC000662315957 412095909 /nfs/dbraw/zinc/09/59/09/412095909.db2.gz RJFVQDHLFUJZJK-KBPBESRZSA-N 2 0 238.375 1.489 20 0 BDADRP C(C[N@@H+]1CC[C@@H]2C[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000662316033 412096336 /nfs/dbraw/zinc/09/63/36/412096336.db2.gz VOKAIXKIUSWQCU-YNEHKIRRSA-N 2 0 208.349 1.718 20 0 BDADRP C[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)[C@@H]1CCC[NH3+] ZINC000662318274 412098910 /nfs/dbraw/zinc/09/89/10/412098910.db2.gz XNLUBENJFRPGGD-MGPQQGTHSA-N 3 0 239.407 1.435 20 0 BDADRP C(C[N@@H+]1CC[C@@H]2COC[C@H]2C1)C1CC[NH2+]CC1 ZINC000662317421 412099201 /nfs/dbraw/zinc/09/92/01/412099201.db2.gz OVJQMGNGAFCAOC-ZIAGYGMSSA-N 2 0 238.375 1.344 20 0 BDADRP C[C@@]1(C(F)F)C[N@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000662336491 412107131 /nfs/dbraw/zinc/10/71/31/412107131.db2.gz YBTBAVBPECEQPT-PWSUYJOCSA-N 2 0 248.317 1.342 20 0 BDADRP COC[C@H](CC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])OC ZINC000665235125 412175188 /nfs/dbraw/zinc/17/51/88/412175188.db2.gz QDKWXIAHQIBKOE-RWMBFGLXSA-N 2 0 244.379 1.288 20 0 BDADRP CC[C@H](C)CC[NH2+][C@H](CCC[NH3+])COC ZINC000665238105 412178079 /nfs/dbraw/zinc/17/80/79/412178079.db2.gz QRRBYYKQUYMUGB-NWDGAFQWSA-N 2 0 216.369 1.766 20 0 BDADRP C[C@@H](CCCCO)[NH2+]CC1([NH3+])CCCC1 ZINC000665247794 412178793 /nfs/dbraw/zinc/17/87/93/412178793.db2.gz JUDGPEILIJAVND-NSHDSACASA-N 2 0 214.353 1.399 20 0 BDADRP Cc1ccncc1CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000665238690 412178994 /nfs/dbraw/zinc/17/89/94/412178994.db2.gz ALSLZMABALRQRI-DZGCQCFKSA-N 2 0 247.386 1.910 20 0 BDADRP Cc1ccncc1CC[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000665239718 412179028 /nfs/dbraw/zinc/17/90/28/412179028.db2.gz XZOXLIAMJGXKEF-CHWSQXEVSA-N 2 0 219.332 1.402 20 0 BDADRP OC/C=C/C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000665239022 412180421 /nfs/dbraw/zinc/18/04/21/412180421.db2.gz KGXHCKJDFAUYIR-FGCBAJGYSA-N 2 0 238.375 1.435 20 0 BDADRP Cc1ccncc1CC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000665239616 412180771 /nfs/dbraw/zinc/18/07/71/412180771.db2.gz WAABFBOXAZDVAD-GXTWGEPZSA-N 2 0 233.359 1.650 20 0 BDADRP FCCC[C@H]1CCC[C@H]1[NH2+][C@H]1CC[NH2+]C1 ZINC000665241470 412184633 /nfs/dbraw/zinc/18/46/33/412184633.db2.gz NLKILTPBWONLSC-GRYCIOLGSA-N 2 0 214.328 1.856 20 0 BDADRP CO[C@@H](C)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000665244879 412189739 /nfs/dbraw/zinc/18/97/39/412189739.db2.gz YTTYLMAJYFGYSP-REWJHTLYSA-N 2 0 240.391 1.922 20 0 BDADRP [NH3+][C@H]1C[C@@H](NCC2([NH3+])CCCC2)c2ccccc21 ZINC000665246708 412191262 /nfs/dbraw/zinc/19/12/62/412191262.db2.gz LZLXIZMPUIGIBJ-UONOGXRCSA-N 2 0 245.370 1.992 20 0 BDADRP CC1(C)[C@H](C[NH2+][C@H]2CCC[C@@H]2[NH3+])C1(F)F ZINC000665273964 412214937 /nfs/dbraw/zinc/21/49/37/412214937.db2.gz GWQUPLZXSZBUSX-CIUDSAMLSA-N 2 0 218.291 1.747 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2([NH3+])CCCC2)CCO1 ZINC000665248216 412193304 /nfs/dbraw/zinc/19/33/04/412193304.db2.gz RYLCAMMNYMESPW-MNOVXSKESA-N 2 0 212.337 1.415 20 0 BDADRP CC1(C)[C@H](C[NH2+][C@@H]2CCC[C@H]2[NH3+])C1(F)F ZINC000665273965 412215007 /nfs/dbraw/zinc/21/50/07/412215007.db2.gz GWQUPLZXSZBUSX-HLTSFMKQSA-N 2 0 218.291 1.747 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@]1(C)CC1(F)F ZINC000665266809 412203728 /nfs/dbraw/zinc/20/37/28/412203728.db2.gz KFNPWIABEIVGTI-VHSXEESVSA-N 2 0 236.306 1.375 20 0 BDADRP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[NH3+])O1 ZINC000665264980 412207536 /nfs/dbraw/zinc/20/75/36/412207536.db2.gz NHMFRTXCAOGWBH-DDHJBXDOSA-N 2 0 212.337 1.413 20 0 BDADRP CC[C@@H]([NH2+]C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000662555929 412215766 /nfs/dbraw/zinc/21/57/66/412215766.db2.gz YEHLQVAUNWCKKE-LLVKDONJSA-N 2 0 221.304 1.082 20 0 BDADRP [NH3+]C1(CC(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000662398862 412147784 /nfs/dbraw/zinc/14/77/84/412147784.db2.gz JVTFDFSRUFVRPB-UHFFFAOYSA-N 2 0 239.363 1.036 20 0 BDADRP C[NH2+]Cc1ccccc1NC(=O)CC1([NH3+])CC1 ZINC000662399561 412149330 /nfs/dbraw/zinc/14/93/30/412149330.db2.gz VIEQCFVEDCKALI-UHFFFAOYSA-N 2 0 233.315 1.226 20 0 BDADRP COC1CC(CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000665230965 412167185 /nfs/dbraw/zinc/16/71/85/412167185.db2.gz ZMGICQZRBJOSTJ-CMOBGSAGSA-N 2 0 226.364 1.661 20 0 BDADRP COC1CC(CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000665230968 412167374 /nfs/dbraw/zinc/16/73/74/412167374.db2.gz ZMGICQZRBJOSTJ-ZFQMDJOTSA-N 2 0 226.364 1.661 20 0 BDADRP COC1CC(CC[NH2+][C@@H](C)C[C@H](C)[NH3+])C1 ZINC000665229772 412169085 /nfs/dbraw/zinc/16/90/85/412169085.db2.gz CHOBACVEXJFRDT-JYBOHDQNSA-N 2 0 214.353 1.517 20 0 BDADRP C[C@@H](N[C@@H]1CC[N@@H+](C(C)(C)C)C1)[C@@H]1CCC[NH2+]1 ZINC000665235867 412174110 /nfs/dbraw/zinc/17/41/10/412174110.db2.gz BHNAJXZDMXYBRG-UPJWGTAASA-N 2 0 239.407 1.589 20 0 BDADRP Cc1cncc(CC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000665273676 412216193 /nfs/dbraw/zinc/21/61/93/412216193.db2.gz BNLIITLHDFBOMH-DGCLKSJQSA-N 2 0 234.347 1.045 20 0 BDADRP CC[NH2+][C@H](C)CNC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000662559607 412217965 /nfs/dbraw/zinc/21/79/65/412217965.db2.gz XFMUNWKGNBKPBZ-NEPJUHHUSA-N 2 0 243.395 1.112 20 0 BDADRP CO[C@H](C[NH2+][C@H](C)C[C@@H](C)[NH3+])C1CCCC1 ZINC000665275205 412218552 /nfs/dbraw/zinc/21/85/52/412218552.db2.gz FFIBBJZQQOCHCN-NQBHXWOUSA-N 2 0 228.380 1.907 20 0 BDADRP CO[C@H](C[NH2+][C@@H](C)C[C@@H](C)[NH3+])C1CCCC1 ZINC000665275206 412219481 /nfs/dbraw/zinc/21/94/81/412219481.db2.gz FFIBBJZQQOCHCN-NTZNESFSSA-N 2 0 228.380 1.907 20 0 BDADRP COCCC[C@H](C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665278273 412220815 /nfs/dbraw/zinc/22/08/15/412220815.db2.gz ZZJXCUIXXFDPQT-UNXYVOJBSA-N 2 0 212.337 1.143 20 0 BDADRP C[N@@H+]1CC[C@H](NCC23CC(C2)C[NH2+]3)[C@@H]2CCC[C@H]21 ZINC000665279625 412223077 /nfs/dbraw/zinc/22/30/77/412223077.db2.gz HNFNXGLDEPXQDN-QFSHSQKFSA-N 2 0 249.402 1.201 20 0 BDADRP CC(C)C1CC([NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC000665279897 412225420 /nfs/dbraw/zinc/22/54/20/412225420.db2.gz ORVJPIOUHYVDKA-UHFFFAOYSA-N 2 0 208.349 1.763 20 0 BDADRP CCCC[C@@H](C)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665289434 412235502 /nfs/dbraw/zinc/23/55/02/412235502.db2.gz NXBZRVGVJPSPIT-SECBINFHSA-N 2 0 238.335 1.309 20 0 BDADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)CCCC[NH3+])C1 ZINC000662621520 412244540 /nfs/dbraw/zinc/24/45/40/412244540.db2.gz ITYKAYVIDMXABB-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCOCCF ZINC000665298997 412248033 /nfs/dbraw/zinc/24/80/33/412248033.db2.gz DQCGHZDQONEKSB-QWRGUYRKSA-N 2 0 218.316 1.080 20 0 BDADRP C[NH2+]C[C@H](C)N[C@H](C)c1ccc(C[NH3+])nc1C ZINC000665299509 412248222 /nfs/dbraw/zinc/24/82/22/412248222.db2.gz OKJTXLNRHCPACW-VHSXEESVSA-N 2 0 236.363 1.107 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(CO)cc2)C1 ZINC000133034604 412392256 /nfs/dbraw/zinc/39/22/56/412392256.db2.gz QYADTXJATSSEKQ-OAHLLOKOSA-N 2 0 248.370 1.610 20 0 BDADRP CCc1noc(C)c1CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000335907073 172078306 /nfs/dbraw/zinc/07/83/06/172078306.db2.gz JCARGDZHIQMGKI-RISCZKNCSA-N 2 0 249.358 1.729 20 0 BDADRP CCc1nocc1C[NH2+]CCCC[NH+](C)C ZINC000339215210 172100034 /nfs/dbraw/zinc/10/00/34/172100034.db2.gz SLPJAEOMPYWSRS-UHFFFAOYSA-N 2 0 225.336 1.668 20 0 BDADRP CCn1cc(C[NH2+]CC2CC[NH+](C)CC2)cn1 ZINC000050539767 172170968 /nfs/dbraw/zinc/17/09/68/172170968.db2.gz KBOYFLPDJLGZKZ-UHFFFAOYSA-N 2 0 236.363 1.334 20 0 BDADRP CCn1cc([C@H](C)[NH2+]C2CCN(C)CC2)cn1 ZINC000044495866 172196420 /nfs/dbraw/zinc/19/64/20/172196420.db2.gz FRWOOKXWTJUMSA-NSHDSACASA-N 2 0 236.363 1.648 20 0 BDADRP CCn1nccc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000160235317 172265759 /nfs/dbraw/zinc/26/57/59/172265759.db2.gz OGCLUBCJDARIRU-LBPRGKRZSA-N 2 0 236.363 1.464 20 0 BDADRP C[NH+](C)CCOc1cccc(N[C@@H]2CC[NH2+]C2)c1 ZINC000094079797 172472758 /nfs/dbraw/zinc/47/27/58/172472758.db2.gz BXXVKEAEOTYRJY-CYBMUJFWSA-N 2 0 249.358 1.401 20 0 BDADRP C[NH+](C)Cc1cccc(NC(=O)C2([NH3+])CCC2)c1 ZINC000147656945 172503947 /nfs/dbraw/zinc/50/39/47/172503947.db2.gz PXNQOVDXOGVVCD-UHFFFAOYSA-N 2 0 247.342 1.568 20 0 BDADRP C[NH+]1CCC(C[NH2+]CCOC2CCCC2)CC1 ZINC000104431064 172985408 /nfs/dbraw/zinc/98/54/08/172985408.db2.gz GXLUYYHJZGHEAV-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000368333752 173008696 /nfs/dbraw/zinc/00/86/96/173008696.db2.gz GQZSKECUUFHUOD-IGQOVBAYSA-N 2 0 238.375 1.031 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@]12CCOC2 ZINC000341977903 173028107 /nfs/dbraw/zinc/02/81/07/173028107.db2.gz WRFVLKWOLIHLJA-ZIAGYGMSSA-N 2 0 238.375 1.726 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCSC2)C1 ZINC000061589312 173042275 /nfs/dbraw/zinc/04/22/75/173042275.db2.gz BMWVBTQUBNVMLF-VXGBXAGGSA-N 2 0 228.405 1.813 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@](O)(C2CC2)C1 ZINC000370085601 173054029 /nfs/dbraw/zinc/05/40/29/173054029.db2.gz WJSCDZYDKCGXHS-UONOGXRCSA-N 2 0 238.375 1.318 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@@H](O)C(C)(C)C)C2)C1 ZINC000335569841 173138032 /nfs/dbraw/zinc/13/80/32/173138032.db2.gz IOHFXJDGNWSXFE-TZMCWYRMSA-N 2 0 240.391 1.421 20 0 BDADRP Cn1cccc1C[NH2+][C@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000368606788 173151729 /nfs/dbraw/zinc/15/17/29/173151729.db2.gz FVVPJHFFGTVOPR-KKUMJFAQSA-N 2 0 247.386 1.988 20 0 BDADRP Cn1nccc1C[NH2+][C@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367616169 173152362 /nfs/dbraw/zinc/15/23/62/173152362.db2.gz LJMKKGUEXORFJX-HZSPNIEDSA-N 2 0 248.374 1.383 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CC2(O)CCC2)[C@@H]2CCC[C@H]21 ZINC000368616484 173153428 /nfs/dbraw/zinc/15/34/28/173153428.db2.gz SZRJXOICMFQJPW-RWMBFGLXSA-N 2 0 238.375 1.364 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CCCF)[C@@H]2CCC[C@H]21 ZINC000308909991 173153477 /nfs/dbraw/zinc/15/34/77/173153477.db2.gz DMGXKJKLFMDVGG-SDDRHHMPSA-N 2 0 214.328 1.808 20 0 BDADRP C[NH2+]C1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000044981995 173322605 /nfs/dbraw/zinc/32/26/05/173322605.db2.gz DSXCRIOWPUWFOH-LLVKDONJSA-N 2 0 212.337 1.097 20 0 BDADRP C[NH2+]CC1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000051756215 173338644 /nfs/dbraw/zinc/33/86/44/173338644.db2.gz AODWUDYGANEJQZ-CYBMUJFWSA-N 2 0 226.364 1.487 20 0 BDADRP C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000051756193 173338818 /nfs/dbraw/zinc/33/88/18/173338818.db2.gz TUKXSTPEUJNMCI-UHFFFAOYSA-N 2 0 219.332 1.513 20 0 BDADRP C[NH2+]CCCC(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000040831342 173344485 /nfs/dbraw/zinc/34/44/85/173344485.db2.gz LBJJXSBNHWBGKU-GFCCVEGCSA-N 2 0 243.395 1.079 20 0 BDADRP C[NH2+]CCCC(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000040831341 173344806 /nfs/dbraw/zinc/34/48/06/173344806.db2.gz LBJJXSBNHWBGKU-LBPRGKRZSA-N 2 0 243.395 1.079 20 0 BDADRP C[NH2+]CCC[N@H+](CCCO)CC(C)(C)C ZINC000336664644 173346745 /nfs/dbraw/zinc/34/67/45/173346745.db2.gz DXNAFFUQCNQRKI-UHFFFAOYSA-N 2 0 216.369 1.326 20 0 BDADRP C[NH2+]C[C@@H]1CCCN(CCC(F)(F)F)C1 ZINC000070914066 173367621 /nfs/dbraw/zinc/36/76/21/173367621.db2.gz HMUJIPYSVHHPMP-VIFPVBQESA-N 2 0 224.270 1.870 20 0 BDADRP C[NH2+]C[C@@H]1CCCN1CCCCCOC ZINC000336712264 173369337 /nfs/dbraw/zinc/36/93/37/173369337.db2.gz SQVNSHBANOWFID-LBPRGKRZSA-N 2 0 214.353 1.487 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](Cc2cccs2)C1 ZINC000053030936 173370956 /nfs/dbraw/zinc/37/09/56/173370956.db2.gz JOLSFSOSHYGCQN-JTQLQIEISA-N 2 0 210.346 1.789 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@H+](C[C@H]2CCCOC2)C1 ZINC000250744778 173379176 /nfs/dbraw/zinc/37/91/76/173379176.db2.gz NQYSYHOCEJEYKG-CHWSQXEVSA-N 2 0 226.364 1.344 20 0 BDADRP C[NH2+]C[C@H]1CCCN1CCCCCOC ZINC000336712262 173379777 /nfs/dbraw/zinc/37/97/77/173379777.db2.gz SQVNSHBANOWFID-GFCCVEGCSA-N 2 0 214.353 1.487 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)[C@@H]([NH3+])C(C)(C)C)c1 ZINC000237107483 173389940 /nfs/dbraw/zinc/38/99/40/173389940.db2.gz SFIVLMNASBPLRF-GFCCVEGCSA-N 2 0 249.358 1.718 20 0 BDADRP COC1CC([NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000336763117 174020405 /nfs/dbraw/zinc/02/04/05/174020405.db2.gz LYZODQQINQNOAQ-GMKTYKIGSA-N 2 0 226.364 1.626 20 0 BDADRP COC1CCC([N@H+](C)C[C@H]2CCC[NH2+]C2)CC1 ZINC000226438417 174021212 /nfs/dbraw/zinc/02/12/12/174021212.db2.gz IHHUTFQFFXOWLU-HSBZDZAISA-N 2 0 240.391 1.875 20 0 BDADRP COC1CC[NH+](C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000234591000 174028380 /nfs/dbraw/zinc/02/83/80/174028380.db2.gz JDTLXNICTUXAOR-VXGBXAGGSA-N 2 0 226.364 1.485 20 0 BDADRP COC1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000037266529 174029228 /nfs/dbraw/zinc/02/92/28/174029228.db2.gz NOKPAZGKMPLRCU-UHFFFAOYSA-N 2 0 212.337 1.097 20 0 BDADRP COCCCCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342080671 174179796 /nfs/dbraw/zinc/17/97/96/174179796.db2.gz GVIMLHGYJCDIPD-BFHYXJOUSA-N 2 0 240.391 1.862 20 0 BDADRP COCCCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000336672933 174194267 /nfs/dbraw/zinc/19/42/67/174194267.db2.gz GRIZIJMPAYCSHL-SRVKXCTJSA-N 2 0 212.337 1.082 20 0 BDADRP COCCCC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000044655199 174200785 /nfs/dbraw/zinc/20/07/85/174200785.db2.gz GVWWICRVFZALMC-UHFFFAOYSA-N 2 0 228.380 1.875 20 0 BDADRP COCCC[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000336677462 174215386 /nfs/dbraw/zinc/21/53/86/174215386.db2.gz NZTINKDMTFYSRB-UHFFFAOYSA-N 2 0 228.380 1.828 20 0 BDADRP COCCC[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000112344975 174229348 /nfs/dbraw/zinc/22/93/48/174229348.db2.gz CPPAZKUPZRRMTI-UHFFFAOYSA-N 2 0 226.364 1.487 20 0 BDADRP COCCC[C@@H](C)[NH2+][C@@H]1CCN(CCOC)C1 ZINC000361233541 174261867 /nfs/dbraw/zinc/26/18/67/174261867.db2.gz YQDWMURXUZSVCF-CHWSQXEVSA-N 2 0 244.379 1.112 20 0 BDADRP COCC[N@H+](C)CCC[NH2+]C[C@H]1C[C@@H]1C ZINC000309036354 174276233 /nfs/dbraw/zinc/27/62/33/174276233.db2.gz IJUQWDSEHOUDRV-NWDGAFQWSA-N 2 0 214.353 1.200 20 0 BDADRP COCC[N@H+](CC(C)C)CC(C)(C)[NH3+] ZINC000042370837 174286831 /nfs/dbraw/zinc/28/68/31/174286831.db2.gz AWVFSPNBGFOKFY-UHFFFAOYSA-N 2 0 202.342 1.328 20 0 BDADRP COCC[N@H+](CC(C)C)CC1CC[NH2+]CC1 ZINC000042370817 174287136 /nfs/dbraw/zinc/28/71/36/174287136.db2.gz NBKLZDBHWUZHHQ-UHFFFAOYSA-N 2 0 228.380 1.590 20 0 BDADRP COCCOCCN1CCC[C@H]([NH+](C)C)CC1 ZINC000365381549 174352983 /nfs/dbraw/zinc/35/29/83/174352983.db2.gz UIQWVIWTCMRDFN-ZDUSSCGKSA-N 2 0 244.379 1.066 20 0 BDADRP COCC[C@@H](C)[NH2+][C@H](C)CN1CCCCC1 ZINC000045025237 174385187 /nfs/dbraw/zinc/38/51/87/174385187.db2.gz RTUUVIYSWOZAAU-CHWSQXEVSA-N 2 0 228.380 1.875 20 0 BDADRP COC[C@@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063197326 174448457 /nfs/dbraw/zinc/44/84/57/174448457.db2.gz JQGDBFJQYQCHAS-YPMHNXCESA-N 2 0 226.364 1.485 20 0 BDADRP COC[C@@H](C)[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000069625322 174448679 /nfs/dbraw/zinc/44/86/79/174448679.db2.gz XDOZWAILWWGCNJ-NXEZZACHSA-N 2 0 200.326 1.081 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@@H]1C ZINC000336692151 174562138 /nfs/dbraw/zinc/56/21/38/174562138.db2.gz PXXMDSZYFQJHAO-GARJFASQSA-N 2 0 200.326 1.128 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CC[C@H]1C ZINC000336692153 174562388 /nfs/dbraw/zinc/56/23/88/174562388.db2.gz PXXMDSZYFQJHAO-VWYCJHECSA-N 2 0 200.326 1.128 20 0 BDADRP COc1ccc(CC[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000128847981 175092246 /nfs/dbraw/zinc/09/22/46/175092246.db2.gz UTVBQSBRQWKRAQ-AWEZNQCLSA-N 2 0 248.370 1.969 20 0 BDADRP COc1ccc(C[NH2+][C@H](C)CCC[NH3+])cc1 ZINC000309419996 175110800 /nfs/dbraw/zinc/11/08/00/175110800.db2.gz LFLVGDMEKRHVND-LLVKDONJSA-N 2 0 222.332 1.912 20 0 BDADRP CC[C@@]1(C)CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000383493359 487629927 /nfs/dbraw/zinc/62/99/27/487629927.db2.gz BGSJGYONQXGKRT-KBPBESRZSA-N 2 0 242.407 1.810 20 0 BDADRP COc1ccc([C@@H](C)[NH2+]CCC[NH3+])cc1 ZINC000037713230 175177413 /nfs/dbraw/zinc/17/74/13/175177413.db2.gz DTKQRZHJUCQVLG-SNVBAGLBSA-N 2 0 208.305 1.695 20 0 BDADRP COc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH3+])cc1 ZINC000309343158 175187999 /nfs/dbraw/zinc/18/79/99/175187999.db2.gz LNSXJPADLLOVNN-QWRGUYRKSA-N 2 0 222.332 1.941 20 0 BDADRP COc1cccc(C2(C[NH3+])CC[NH2+]CC2)c1 ZINC000071522612 175248029 /nfs/dbraw/zinc/24/80/29/175248029.db2.gz GQBOELONSZAZKK-UHFFFAOYSA-N 2 0 220.316 1.275 20 0 BDADRP COc1cccc(C[NH2+][C@H](C)CCC[NH3+])c1 ZINC000309481203 175266662 /nfs/dbraw/zinc/26/66/62/175266662.db2.gz VZAKTERYVGHUHV-LLVKDONJSA-N 2 0 222.332 1.912 20 0 BDADRP COc1ccncc1Cn1ccnc1C ZINC000286699082 175373014 /nfs/dbraw/zinc/37/30/14/175373014.db2.gz ZVWZNWQAHKFCAD-UHFFFAOYSA-N 2 0 203.245 1.643 20 0 BDADRP C[C@@H](CO)CCC[NH2+][C@@H](C)CCCC[NH3+] ZINC000336700204 175663725 /nfs/dbraw/zinc/66/37/25/175663725.db2.gz PGAWWQSTSBNQSU-NEPJUHHUSA-N 2 0 216.369 1.502 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CCCOC[C@@H]1CCCO1 ZINC000336715213 175665420 /nfs/dbraw/zinc/66/54/20/175665420.db2.gz PHMCMNLFBYKHAB-STQMWFEESA-N 2 0 244.379 1.289 20 0 BDADRP C[C@@H]([NH2+]CCCC[NH+](C)C)[C@H]1CCCOC1 ZINC000309358233 175873402 /nfs/dbraw/zinc/87/34/02/175873402.db2.gz ACDOXJXEPFREGQ-OLZOCXBDSA-N 2 0 228.380 1.733 20 0 BDADRP C[C@@H]([NH2+]CCC[NH+](C)C)[C@@]1(C)CCCO1 ZINC000340168210 175875443 /nfs/dbraw/zinc/87/54/43/175875443.db2.gz RGZONGXIKNPRBL-VXGBXAGGSA-N 2 0 214.353 1.485 20 0 BDADRP C[C@@H](c1cccnc1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000222997452 176030073 /nfs/dbraw/zinc/03/00/73/176030073.db2.gz WRWVQBTZIYZCHS-QWRGUYRKSA-N 2 0 205.305 1.423 20 0 BDADRP C[C@@H]1CC([NH2+][C@@H]2CCc3nccn3C2)C[C@@H](C)O1 ZINC000369846496 176055454 /nfs/dbraw/zinc/05/54/54/176055454.db2.gz NJEDSKGMVDIPJK-IJLUTSLNSA-N 2 0 249.358 1.744 20 0 BDADRP C[C@@H]1CCC[C@@H](C[N@H+](C)C[C@H](O)C[NH3+])C1 ZINC000336766000 176117625 /nfs/dbraw/zinc/11/76/25/176117625.db2.gz RRTVQAPNOBEAIV-IJLUTSLNSA-N 2 0 214.353 1.064 20 0 BDADRP C[C@@H]1CCC[C@@H](CO)[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000336709011 176119847 /nfs/dbraw/zinc/11/98/47/176119847.db2.gz PKLZOUKFYBAADW-MCIONIFRSA-N 2 0 240.391 1.706 20 0 BDADRP C[C@@H]1CCC[C@@](CN[C@@H]2CC[NH2+]C2)([NH+](C)C)C1 ZINC000094088119 176133684 /nfs/dbraw/zinc/13/36/84/176133684.db2.gz XBXNEEQNHSHKOY-MGPQQGTHSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)C1 ZINC000309750772 176212206 /nfs/dbraw/zinc/21/22/06/176212206.db2.gz GPZUJKFRPLYJHF-VXGBXAGGSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H]1CN(C)CC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000235472935 176266720 /nfs/dbraw/zinc/26/67/20/176266720.db2.gz RXNCCEYZWMKPIZ-GFCCVEGCSA-N 2 0 225.380 1.012 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC(C)(C)CCO ZINC000122121582 176269621 /nfs/dbraw/zinc/26/96/21/176269621.db2.gz QVUQVTGUCCZOPM-NEPJUHHUSA-N 2 0 228.380 1.325 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(CO)CCC1 ZINC000336781019 176270332 /nfs/dbraw/zinc/27/03/32/176270332.db2.gz SZLIKELGLHQLOS-VXGBXAGGSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@@H]1NCCC[NH+]1CCCC1 ZINC000336775794 176272646 /nfs/dbraw/zinc/27/26/46/176272646.db2.gz CSFAFHIOJIJHDV-OLZOCXBDSA-N 2 0 225.380 1.012 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCC(C)(C)[NH+](C)C ZINC000036908111 176278199 /nfs/dbraw/zinc/27/81/99/176278199.db2.gz DZOSUHWCFLDIIK-UPJWGTAASA-N 2 0 241.423 1.645 20 0 BDADRP C[C@H](CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)[NH+](C)C ZINC000038087813 176278232 /nfs/dbraw/zinc/27/82/32/176278232.db2.gz XMVYJXFRDBCHPA-FDYHWXHSSA-N 2 0 227.396 1.255 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1cn[nH]c1 ZINC000353653497 176278325 /nfs/dbraw/zinc/27/83/25/176278325.db2.gz CTMGSVVXPOTIMW-NQBHXWOUSA-N 2 0 236.363 1.271 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC(C)(C)O ZINC000083461203 176278825 /nfs/dbraw/zinc/27/88/25/176278825.db2.gz BJXZTTMCGWJRHH-MXWKQRLJSA-N 2 0 214.353 1.076 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@](C)(O)C1CC1 ZINC000336701914 176280316 /nfs/dbraw/zinc/28/03/16/176280316.db2.gz JZKNVSOCQZQXLF-OXHZDVMGSA-N 2 0 240.391 1.466 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)C[C@H]1O ZINC000351796732 176293472 /nfs/dbraw/zinc/29/34/72/176293472.db2.gz XTCZTOKQNDFKMQ-JHJVBQTASA-N 2 0 226.364 1.173 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@@H]2CCOC2)CC[C@@H]1[NH3+] ZINC000235323344 176294668 /nfs/dbraw/zinc/29/46/68/176294668.db2.gz JHCGBMNTONWLLS-UTUOFQBUSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000332253296 176328108 /nfs/dbraw/zinc/32/81/08/176328108.db2.gz MJSCGEDXRYFSNT-MROQNXINSA-N 2 0 225.380 1.234 20 0 BDADRP C[C@@H]1COCC[C@H]1[NH2+]CCCC[NH+](C)C ZINC000300802248 176344063 /nfs/dbraw/zinc/34/40/63/176344063.db2.gz FDQYRRBLTWYDSI-VXGBXAGGSA-N 2 0 214.353 1.343 20 0 BDADRP C[C@@H]1COCC[C@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000309657742 176344455 /nfs/dbraw/zinc/34/44/55/176344455.db2.gz AHOMNORDUJCSIM-DGCLKSJQSA-N 2 0 224.348 1.263 20 0 BDADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(N)=[NH2+])C1 ZINC000303252845 176361057 /nfs/dbraw/zinc/36/10/57/176361057.db2.gz CCHHICYQEBFFCK-NXEZZACHSA-N 2 0 226.368 1.226 20 0 BDADRP C[C@@H]1C[C@@H](C[N@H+](C)CC2CCOCC2)CC[NH2+]1 ZINC000235379074 176367596 /nfs/dbraw/zinc/36/75/96/176367596.db2.gz WNIFWKQWSUOAEN-OCCSQVGLSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCCSCC2)CC[NH2+]1 ZINC000235381219 176368422 /nfs/dbraw/zinc/36/84/22/176368422.db2.gz XNUNOABKVPJHDB-NEPJUHHUSA-N 2 0 228.405 1.813 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)[C@@H]1C ZINC000309509191 176375050 /nfs/dbraw/zinc/37/50/50/176375050.db2.gz WTUGMAIZUCCEPY-IJLUTSLNSA-N 2 0 226.364 1.077 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)[C@@H]1C ZINC000308988983 176375308 /nfs/dbraw/zinc/37/53/08/176375308.db2.gz NASAMZQSYIJDQR-NQBHXWOUSA-N 2 0 210.365 1.962 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@H]1CCCCS1 ZINC000308477117 176619880 /nfs/dbraw/zinc/61/98/80/176619880.db2.gz FDDKNSYEHRPVFJ-GHMZBOCLSA-N 2 0 216.394 1.989 20 0 BDADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)C1CC1 ZINC000020128419 176844076 /nfs/dbraw/zinc/84/40/76/176844076.db2.gz WAABWVBFFRCPSH-LBPRGKRZSA-N 2 0 225.380 1.012 20 0 BDADRP C[C@H]([NH2+]Cc1ccc2c[nH+]cn2c1)[C@H]1CCOC1 ZINC000297517928 176876790 /nfs/dbraw/zinc/87/67/90/176876790.db2.gz MVQMVYHLBDRBFR-AAEUAGOBSA-N 2 0 245.326 1.849 20 0 BDADRP C[C@H](O)[C@@H]1CCCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000336679959 177008607 /nfs/dbraw/zinc/00/86/07/177008607.db2.gz CHYPEJYCABLDJB-MJBXVCDLSA-N 2 0 240.391 1.706 20 0 BDADRP C[C@H]1CCCCC[N@@H+]1C[C@H](O)CN(C)C1CC1 ZINC000310122255 177070662 /nfs/dbraw/zinc/07/06/62/177070662.db2.gz VJUKJHPTKKWVCT-GXTWGEPZSA-N 2 0 240.391 1.706 20 0 BDADRP C[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCCO1 ZINC000061918644 177245962 /nfs/dbraw/zinc/24/59/62/177245962.db2.gz BJCZEIHCHRDEGB-NSHDSACASA-N 2 0 212.337 1.097 20 0 BDADRP C[C@H]1C[N@H+](CCCCCF)CC[C@@H]1[NH3+] ZINC000336678100 177248749 /nfs/dbraw/zinc/24/87/49/177248749.db2.gz DWBVGVGAMCJXDS-QWRGUYRKSA-N 2 0 202.317 1.795 20 0 BDADRP C[C@@H]1CN(CC[C@H]2CCC[N@@H+]2C)C[C@H](C)[NH+]1C ZINC000336895411 177254391 /nfs/dbraw/zinc/25/43/91/177254391.db2.gz YTMXSEOBRQHTEK-HZSPNIEDSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CCS1 ZINC000123471224 177254473 /nfs/dbraw/zinc/25/44/73/177254473.db2.gz LDPMAQJAZRIYLB-QWRGUYRKSA-N 2 0 214.378 1.423 20 0 BDADRP C[C@H]1COCC[C@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000309657752 177296219 /nfs/dbraw/zinc/29/62/19/177296219.db2.gz AHOMNORDUJCSIM-WCQYABFASA-N 2 0 224.348 1.263 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)[C@@H](C)CO1 ZINC000251630637 177302006 /nfs/dbraw/zinc/30/20/06/177302006.db2.gz IJCXMGYUXOSRLV-YNEHKIRRSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H]1CSCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000069760975 177305345 /nfs/dbraw/zinc/30/53/45/177305345.db2.gz FHAXUIDBHUFNHA-WDEREUQCSA-N 2 0 214.378 1.423 20 0 BDADRP C[C@H]1CSC[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000335587793 177306609 /nfs/dbraw/zinc/30/66/09/177306609.db2.gz YAXHCJKRCBKYCH-CMPLNLGQSA-N 2 0 228.405 1.669 20 0 BDADRP C[C@@H]1C[C@H](C)C[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000019470525 177313520 /nfs/dbraw/zinc/31/35/20/177313520.db2.gz KRRSOTORXLAJEV-TXEJJXNPSA-N 2 0 210.365 1.964 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCOCC[NH+](C)C)C[C@@H](C)C1 ZINC000300421192 177317921 /nfs/dbraw/zinc/31/79/21/177317921.db2.gz IUWNCHNHSAZBGT-WDNDVIMCSA-N 2 0 242.407 1.979 20 0 BDADRP C[C@H]1C[C@@H](C[N@H+](C)CC2CCOCC2)CC[NH2+]1 ZINC000235697322 177323284 /nfs/dbraw/zinc/32/32/84/177323284.db2.gz WNIFWKQWSUOAEN-JSGCOSHPSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H]1C[C@@H](C[NH+]2CCC(C)(CO)CC2)CC[NH2+]1 ZINC000334865719 177324344 /nfs/dbraw/zinc/32/43/44/177324344.db2.gz LXEHSWZZMIQFNN-STQMWFEESA-N 2 0 240.391 1.469 20 0 BDADRP C[C@H]1C[C@@H](C[NH+]2CCC([NH+](C)C)CC2)CC[NH2+]1 ZINC000235698721 177324504 /nfs/dbraw/zinc/32/45/04/177324504.db2.gz NKQKUGNGRXWKKA-STQMWFEESA-N 3 0 239.407 1.401 20 0 BDADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccsc1 ZINC000126717761 177325052 /nfs/dbraw/zinc/32/50/52/177325052.db2.gz GYPUCNSCKUJHPE-ONGXEEELSA-N 2 0 210.346 1.917 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]Cc2cccc(CO)c2)CC[N@@H+]1C ZINC000177838750 177332727 /nfs/dbraw/zinc/33/27/27/177332727.db2.gz XBLBJAKMWWHMAG-WFASDCNBSA-N 2 0 248.370 1.751 20 0 BDADRP C[C@H]1C[C@H](C[N@@H+]2CCCSCC2)CC[NH2+]1 ZINC000235661838 177362543 /nfs/dbraw/zinc/36/25/43/177362543.db2.gz XNUNOABKVPJHDB-NWDGAFQWSA-N 2 0 228.405 1.813 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCCCF)CN1C1CC1 ZINC000308961663 177368684 /nfs/dbraw/zinc/36/86/84/177368684.db2.gz GKHKLHURTRIKFQ-QWRGUYRKSA-N 2 0 214.328 1.951 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C)C2)C[C@H](C)O1 ZINC000238855822 177371841 /nfs/dbraw/zinc/37/18/41/177371841.db2.gz SVGGRQLLHSQLCK-USZNOCQGSA-N 2 0 212.337 1.236 20 0 BDADRP C[C@@H]1CC[C@@H]1[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000336709816 177371882 /nfs/dbraw/zinc/37/18/82/177371882.db2.gz SWJSGDGHAVDAHD-BLFANLJRSA-N 2 0 208.349 2.000 20 0 BDADRP C[C@]1(C(=O)Nc2ccc(C[NH3+])cc2)CCCC[NH2+]1 ZINC000131328905 177456920 /nfs/dbraw/zinc/45/69/20/177456920.db2.gz KAQVNCNQHZVJMA-CQSZACIVSA-N 2 0 247.342 1.616 20 0 BDADRP C[C@@H]([NH2+]CC(C)(C)CCO)[C@H]1CCC[NH2+]1 ZINC000400356555 225063002 /nfs/dbraw/zinc/06/30/02/225063002.db2.gz BKZWQADYMZGMRB-GHMZBOCLSA-N 2 0 214.353 1.125 20 0 BDADRP C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000400362179 225097697 /nfs/dbraw/zinc/09/76/97/225097697.db2.gz CKWBIUWQIOMPDW-DGAVXFQQSA-N 2 0 237.391 1.343 20 0 BDADRP CN1CCC[C@H]1C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000226017382 487643718 /nfs/dbraw/zinc/64/37/18/487643718.db2.gz YLXXIKSIXFMLKI-NEPJUHHUSA-N 2 0 226.364 1.628 20 0 BDADRP C[N@@H+]1CCC[C@H]1CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000226011764 487643905 /nfs/dbraw/zinc/64/39/05/487643905.db2.gz XSHMJWSYGFSMPP-NILFDRSVSA-N 2 0 245.370 1.815 20 0 BDADRP C[C@H]1C[C@@H]1C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000488293854 225363100 /nfs/dbraw/zinc/36/31/00/225363100.db2.gz GGJOGGMLQUDZOY-QWHCGFSZSA-N 2 0 240.391 1.421 20 0 BDADRP C[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000400360923 226341847 /nfs/dbraw/zinc/34/18/47/226341847.db2.gz BWYITTKGILZKKP-SGMGOOAPSA-N 2 0 237.391 1.201 20 0 BDADRP C[C@H]([NH2+][C@H]1CCCOCC1)[C@@H]1CCC[NH2+]1 ZINC000400504552 226345442 /nfs/dbraw/zinc/34/54/42/226345442.db2.gz JODNVDWHUJXBJY-SRVKXCTJSA-N 2 0 212.337 1.286 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](CC[C@H]2CCOC2)C[C@@H]1C[NH3+] ZINC000400554434 226346243 /nfs/dbraw/zinc/34/62/43/226346243.db2.gz PHWRKRNXRNUGQX-RFGFWPKPSA-N 2 0 240.391 1.718 20 0 BDADRP C[C@@H](N[C@H](CO)Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000400816337 226351928 /nfs/dbraw/zinc/35/19/28/226351928.db2.gz ZWQHPWPHWUEQSR-VHDGCEQUSA-N 2 0 248.370 1.320 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCCO1 ZINC000400978678 226352349 /nfs/dbraw/zinc/35/23/49/226352349.db2.gz SVZWTRXKAFCHAI-VJTDZRGJSA-N 2 0 238.375 1.532 20 0 BDADRP C[C@@H](NC(=O)C[C@H]1[NH2+]Cc2ccccc21)[C@H](C)[NH3+] ZINC000662568287 487660940 /nfs/dbraw/zinc/66/09/40/487660940.db2.gz QSYCHHXWOYNPFZ-OPQQBVKSSA-N 2 0 247.342 1.073 20 0 BDADRP CC(C)[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000383756125 487670528 /nfs/dbraw/zinc/67/05/28/487670528.db2.gz KPTIDDAUEIVKHL-ZIAGYGMSSA-N 2 0 242.407 1.665 20 0 BDADRP FCCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000671683555 487688739 /nfs/dbraw/zinc/68/87/39/487688739.db2.gz PRCGERVSFJPVIS-UHFFFAOYSA-N 2 0 237.322 1.953 20 0 BDADRP Cc1cncc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000228620345 487693516 /nfs/dbraw/zinc/69/35/16/487693516.db2.gz YHHPRIOPMSXTIP-TZMCWYRMSA-N 2 0 233.359 1.949 20 0 BDADRP C([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C12CC(C1)CO2 ZINC000527532220 262853046 /nfs/dbraw/zinc/85/30/46/262853046.db2.gz KSRKELWSLZVQHP-FMNWTUGISA-N 2 0 222.332 1.038 20 0 BDADRP Cc1cc(NCC2([NH+](C)C)CC2)cc[nH+]1 ZINC000397908031 262940083 /nfs/dbraw/zinc/94/00/83/262940083.db2.gz YHJBSWGXMRMDKQ-UHFFFAOYSA-N 2 0 205.305 1.318 20 0 BDADRP CCCN1CC[C@H]([NH2+][C@@H](C)[C@H]2CCOC2)C1 ZINC000328507073 487700660 /nfs/dbraw/zinc/70/06/60/487700660.db2.gz LPCOJCHDOWQBEJ-AVGNSLFASA-N 2 0 226.364 1.485 20 0 BDADRP CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1CCC[NH3+] ZINC000336713082 487719765 /nfs/dbraw/zinc/71/97/65/487719765.db2.gz VJBBGDVQFOVGDP-MRVPVSSYSA-N 2 0 224.270 1.998 20 0 BDADRP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000228847354 487737187 /nfs/dbraw/zinc/73/71/87/487737187.db2.gz FZPVMMZROJMQDS-CHWFTXMASA-N 2 0 212.337 1.005 20 0 BDADRP Cc1cc(C)cc(OCCN(C)CC[NH3+])c1 ZINC000054418215 487740302 /nfs/dbraw/zinc/74/03/02/487740302.db2.gz PZCSPXMVPZDSBB-UHFFFAOYSA-N 2 0 222.332 1.573 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(C)(C)CC1 ZINC000310547556 487742928 /nfs/dbraw/zinc/74/29/28/487742928.db2.gz SVBSQOYFWIPSCF-CYBMUJFWSA-N 2 0 242.407 1.810 20 0 BDADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000289300135 487747400 /nfs/dbraw/zinc/74/74/00/487747400.db2.gz RZPAKIABZLGOTN-KGYLQXTDSA-N 2 0 247.342 1.025 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](C)c2ccncc2)C1 ZINC000226537997 487754972 /nfs/dbraw/zinc/75/49/72/487754972.db2.gz SKNMXKYBBQULEA-GMXVVIOVSA-N 2 0 219.332 1.812 20 0 BDADRP CC[C@H](C(N)=O)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000335395856 487793872 /nfs/dbraw/zinc/79/38/72/487793872.db2.gz LVILEXZDFSBNNV-SNVBAGLBSA-N 2 0 225.336 1.376 20 0 BDADRP C[C@@H](c1ccncc1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251858539 487803178 /nfs/dbraw/zinc/80/31/78/487803178.db2.gz SFBFZVGBKOIOMW-NTZNESFSSA-N 2 0 219.332 1.812 20 0 BDADRP CC[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000309242871 487806047 /nfs/dbraw/zinc/80/60/47/487806047.db2.gz LDYHAHBALMJDTE-QWHCGFSZSA-N 2 0 228.380 1.419 20 0 BDADRP COc1ccccc1C(C)(C)[NH2+]CCC[NH3+] ZINC000414716532 487818987 /nfs/dbraw/zinc/81/89/87/487818987.db2.gz YJCHLGDRLWLSSS-UHFFFAOYSA-N 2 0 222.332 1.869 20 0 BDADRP CC(C)(C)[C@@H]1CC[N@H+](CCC[NH3+])C[C@@H]1O ZINC000414755680 487821395 /nfs/dbraw/zinc/82/13/95/487821395.db2.gz ICYJUMAPIBTHMK-MNOVXSKESA-N 2 0 214.353 1.064 20 0 BDADRP C[C@H]1C[C@@H](c2cccnc2)[N@H+](CCC[NH3+])C1 ZINC000414748519 487821707 /nfs/dbraw/zinc/82/17/07/487821707.db2.gz WRDYGDWUMHDZGH-AAEUAGOBSA-N 2 0 219.332 1.813 20 0 BDADRP COc1cc(C)nc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000414934156 487831321 /nfs/dbraw/zinc/83/13/21/487831321.db2.gz XTFBREJTQLZVGT-NEPJUHHUSA-N 2 0 249.358 1.758 20 0 BDADRP COc1cc(C)nc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000414934159 487831358 /nfs/dbraw/zinc/83/13/58/487831358.db2.gz XTFBREJTQLZVGT-NWDGAFQWSA-N 2 0 249.358 1.758 20 0 BDADRP [NH3+]CCC[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000415079158 487836485 /nfs/dbraw/zinc/83/64/85/487836485.db2.gz HRIKYTICHIFGBI-UHFFFAOYSA-N 2 0 244.342 1.353 20 0 BDADRP CCCC[C@@H](CC)CC[N@H+](C)C[C@@H](O)C[NH3+] ZINC000415073876 487836626 /nfs/dbraw/zinc/83/66/26/487836626.db2.gz ZAWXBHTUOKYVFL-OLZOCXBDSA-N 2 0 230.396 1.844 20 0 BDADRP CC(C)[C@@H]([NH3+])C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000489459913 528498746 /nfs/dbraw/zinc/49/87/46/528498746.db2.gz AFMSNLYCFDSYPO-JOYOIKCWSA-N 2 0 235.331 1.628 20 0 BDADRP CC(C)(CO)[C@H]([NH2+]CCC[NH3+])c1ccccc1 ZINC000415094188 487837264 /nfs/dbraw/zinc/83/72/64/487837264.db2.gz DGWQAWYCQBIEEX-CYBMUJFWSA-N 2 0 236.359 1.685 20 0 BDADRP [NH3+]CCC[NH2+][C@H](CCO)c1ccccc1 ZINC000415122570 487838328 /nfs/dbraw/zinc/83/83/28/487838328.db2.gz OFIMXFAUUDQVKJ-GFCCVEGCSA-N 2 0 208.305 1.049 20 0 BDADRP [NH3+]CCC[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000437774119 487848811 /nfs/dbraw/zinc/84/88/11/487848811.db2.gz KPYQIMHMAITWLX-UHFFFAOYSA-N 2 0 248.305 1.450 20 0 BDADRP [NH3+]CCC1CC[NH+](Cc2cncs2)CC1 ZINC000165048885 487850507 /nfs/dbraw/zinc/85/05/07/487850507.db2.gz QKVPJENFBZJPPQ-UHFFFAOYSA-N 2 0 225.361 1.704 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@H](C)COC)CC[C@@H]1[NH3+] ZINC000253110288 487851165 /nfs/dbraw/zinc/85/11/65/487851165.db2.gz GAWKFIDWUXGHQU-TUAOUCFPSA-N 2 0 214.353 1.328 20 0 BDADRP Cn1ncc2c1CCC[C@H]2[N@H+](C)CCC[NH3+] ZINC000666649699 487851610 /nfs/dbraw/zinc/85/16/10/487851610.db2.gz MJCRXQSDKXDBEX-LLVKDONJSA-N 2 0 222.336 1.078 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000234765860 487872629 /nfs/dbraw/zinc/87/26/29/487872629.db2.gz VOCLCZRKHPPTSV-FIYWTHMPSA-N 2 0 226.364 1.804 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000086435423 487878274 /nfs/dbraw/zinc/87/82/74/487878274.db2.gz YIXQPQFYZIRJGG-STQMWFEESA-N 2 0 226.364 1.616 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]Cc1ccc2cnccc2c1 ZINC000666826700 487887010 /nfs/dbraw/zinc/88/70/10/487887010.db2.gz RKDPAWFTJFGTEE-NSHDSACASA-N 2 0 229.327 1.919 20 0 BDADRP CC(C)(C)[NH2+]CCN[C@@H]1CCC[NH2+]CC1 ZINC000666858911 487892023 /nfs/dbraw/zinc/89/20/23/487892023.db2.gz FETMJOMIPTWAIQ-LLVKDONJSA-N 2 0 213.369 1.106 20 0 BDADRP COC[C@]1(C[NH2+][C@H](C)CC2CCC2)CCC[NH2+]1 ZINC000666891943 487899369 /nfs/dbraw/zinc/89/93/69/487899369.db2.gz PIQSSOYQIUHVLY-TZMCWYRMSA-N 2 0 240.391 1.923 20 0 BDADRP CC[N@@H+]1CC[C@H](NC[C@@H]2C[C@H](F)C[NH2+]2)[C@@H](C)C1 ZINC000666947805 487912483 /nfs/dbraw/zinc/91/24/83/487912483.db2.gz IRJSNLRGAOPMBI-CYDGBPFRSA-N 2 0 243.370 1.006 20 0 BDADRP C[C@@H]1CN(CCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000396348401 487914646 /nfs/dbraw/zinc/91/46/46/487914646.db2.gz FEMXWXHZDPAMCE-CQSZACIVSA-N 2 0 247.386 1.542 20 0 BDADRP C[C@@H]1CCC[N@H+](CC[C@@H]2CCOC2)[C@H]1CC[NH3+] ZINC000404296086 487916623 /nfs/dbraw/zinc/91/66/23/487916623.db2.gz DAKVIQLEJWDDIF-MCIONIFRSA-N 2 0 240.391 1.862 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666955474 487917128 /nfs/dbraw/zinc/91/71/28/487917128.db2.gz NPLONZCISCHOMM-JHJVBQTASA-N 3 0 237.391 1.249 20 0 BDADRP COCC[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404296307 487917277 /nfs/dbraw/zinc/91/72/77/487917277.db2.gz NZYGJVJYSQZYJF-GHMZBOCLSA-N 2 0 200.326 1.082 20 0 BDADRP COCC[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404296310 487917330 /nfs/dbraw/zinc/91/73/30/487917330.db2.gz NZYGJVJYSQZYJF-QWRGUYRKSA-N 2 0 200.326 1.082 20 0 BDADRP C[C@@H](C[NH2+]C[C@H]1C[NH2+]CCCO1)C(C)(C)C ZINC000666965395 487918331 /nfs/dbraw/zinc/91/83/31/487918331.db2.gz GUHOVAYHIXNOCZ-NWDGAFQWSA-N 2 0 228.380 1.637 20 0 BDADRP C[C@H](C[NH2+]C[C@H]1C[NH2+]CCCO1)C(C)(C)C ZINC000666965397 487918363 /nfs/dbraw/zinc/91/83/63/487918363.db2.gz GUHOVAYHIXNOCZ-VXGBXAGGSA-N 2 0 228.380 1.637 20 0 BDADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000652352701 487930341 /nfs/dbraw/zinc/93/03/41/487930341.db2.gz OMKFGLOOCFUIRU-RDBSUJKOSA-N 3 0 237.391 1.047 20 0 BDADRP C[C@H]([NH3+])[C@H](C)NC(=O)CC1(C[NH3+])CCCCC1 ZINC000449605250 323000602 /nfs/dbraw/zinc/00/06/02/323000602.db2.gz VQGSAOCBWAMDEX-QWRGUYRKSA-N 2 0 241.379 1.138 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000566481114 323001194 /nfs/dbraw/zinc/00/11/94/323001194.db2.gz ADPCIRKDIGVAQC-YIYPIFLZSA-N 2 0 237.391 1.234 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCOCC1CCC1 ZINC000562280589 323014677 /nfs/dbraw/zinc/01/46/77/323014677.db2.gz DGPWQESEFRBNEA-GXTWGEPZSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)CS1 ZINC000306873752 323032515 /nfs/dbraw/zinc/03/25/15/323032515.db2.gz YHVBKUSZKZTBLS-RCWTZXSCSA-N 2 0 214.378 1.740 20 0 BDADRP Cn1cncc1CCC[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000569738614 323039388 /nfs/dbraw/zinc/03/93/88/323039388.db2.gz FGTHYPWOJZZWMH-RYUDHWBXSA-N 2 0 237.372 1.542 20 0 BDADRP C[NH2+]CCCC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000569967040 323046025 /nfs/dbraw/zinc/04/60/25/323046025.db2.gz CKOXIIXXHSPLJJ-NSHDSACASA-N 2 0 249.358 1.322 20 0 BDADRP C[NH2+]C[C@H](C)c1nc([C@@H]([NH3+])CC(C)C)no1 ZINC000569971235 323046130 /nfs/dbraw/zinc/04/61/30/323046130.db2.gz MXRIHOGKBMEVIG-IUCAKERBSA-N 2 0 226.324 1.438 20 0 BDADRP CCCC[N@H+](C)C[C@@H](C)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000569988859 323046628 /nfs/dbraw/zinc/04/66/28/323046628.db2.gz XEQAKTCJDFIHGE-MGPQQGTHSA-N 2 0 241.423 1.966 20 0 BDADRP C[C@@]1(C[NH+]2CCC(CCO)CC2)CC[NH2+]C1 ZINC000570396386 323058392 /nfs/dbraw/zinc/05/83/92/323058392.db2.gz JTQNBZNIJFZKSD-CYBMUJFWSA-N 2 0 226.364 1.080 20 0 BDADRP [NH3+]Cc1ccc(CN[C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000570802248 323070766 /nfs/dbraw/zinc/07/07/66/323070766.db2.gz BKVQMOAXQBZUOM-LSDHHAIUSA-N 2 0 247.386 1.895 20 0 BDADRP CC[NH+]1CCC([NH2+]CC[C@@H](C)CCO)CC1 ZINC000397606539 323083685 /nfs/dbraw/zinc/08/36/85/323083685.db2.gz ASSVEMUBYXQPLL-GFCCVEGCSA-N 2 0 228.380 1.469 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CCCC[NH3+])C1 ZINC000563078410 323087439 /nfs/dbraw/zinc/08/74/39/323087439.db2.gz YYMGKSDUXWHQHX-NWDGAFQWSA-N 2 0 241.379 1.104 20 0 BDADRP CC(C)COCC[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397301879 323090319 /nfs/dbraw/zinc/09/03/19/323090319.db2.gz KRWQRTRINBFFTJ-MCIONIFRSA-N 2 0 242.407 1.964 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)CCCC[NH3+])c1 ZINC000563113329 323093172 /nfs/dbraw/zinc/09/31/72/323093172.db2.gz PDEFFQQZWKJQGN-UHFFFAOYSA-N 2 0 235.331 1.521 20 0 BDADRP C[C@@]1(C[NH2+]Cc2ccc(C[NH3+])cc2)CC[NH2+]C1 ZINC000563135421 323094573 /nfs/dbraw/zinc/09/45/73/323094573.db2.gz LYCDEXLSPQRZGS-CQSZACIVSA-N 3 0 233.359 1.235 20 0 BDADRP COc1ccccc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000563135443 323094678 /nfs/dbraw/zinc/09/46/78/323094678.db2.gz MFKTTXBXPCKERG-MNOVXSKESA-N 2 0 222.332 1.911 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000567896415 323097985 /nfs/dbraw/zinc/09/79/85/323097985.db2.gz JVQOICJXHKWJBL-XQQFMLRXSA-N 3 0 225.380 1.045 20 0 BDADRP Cc1ncncc1[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000563419246 323123854 /nfs/dbraw/zinc/12/38/54/323123854.db2.gz SGHCOPVVIMXSTC-NSHDSACASA-N 2 0 248.374 1.777 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@H]1CCC[C@H]([NH3+])C1 ZINC000563424789 323125885 /nfs/dbraw/zinc/12/58/85/323125885.db2.gz NLTIDMDKVCEWHS-SDDRHHMPSA-N 2 0 213.369 1.363 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccccn1 ZINC000563447616 323126261 /nfs/dbraw/zinc/12/62/61/323126261.db2.gz OYMTXORUXRALNJ-KCXRBIIJSA-N 2 0 231.343 1.687 20 0 BDADRP C[C@@H]1CCN(CC[NH2+][C@H]2COC(C)(C)C2)C1 ZINC000564552039 323128073 /nfs/dbraw/zinc/12/80/73/323128073.db2.gz JKSMCNQSLHSMRT-VXGBXAGGSA-N 2 0 226.364 1.485 20 0 BDADRP CC(C)[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)C1CC1 ZINC000531978920 323162107 /nfs/dbraw/zinc/16/21/07/323162107.db2.gz HHPRHMZEZDIKDC-CYBMUJFWSA-N 2 0 240.391 1.467 20 0 BDADRP CC(C)[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000305150709 323167884 /nfs/dbraw/zinc/16/78/84/323167884.db2.gz TXPSNDRNHHAGIQ-KGLIPLIRSA-N 2 0 240.391 1.467 20 0 BDADRP Cc1nc(CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c(C)o1 ZINC000563735402 323176621 /nfs/dbraw/zinc/17/66/21/323176621.db2.gz ZOICIYVHKOPNGB-NEPJUHHUSA-N 2 0 237.347 1.693 20 0 BDADRP C1CC1[NH+]1CCC(N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000530216220 323216884 /nfs/dbraw/zinc/21/68/84/323216884.db2.gz OGHZOXRVQUNMJU-CQSZACIVSA-N 2 0 249.402 1.487 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]CCC2(CO)CC2)c2ccccc21 ZINC000395927035 323268501 /nfs/dbraw/zinc/26/85/01/323268501.db2.gz KIFMZXNJUDZACS-UONOGXRCSA-N 2 0 246.354 1.883 20 0 BDADRP C1CC1[C@H]([NH2+]C1CC[NH2+]CC1)C1CCC1 ZINC000325027210 323308694 /nfs/dbraw/zinc/30/86/94/323308694.db2.gz HZZOVTPNBKFINY-CYBMUJFWSA-N 2 0 208.349 1.907 20 0 BDADRP CCn1nccc1C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000564086248 323427646 /nfs/dbraw/zinc/42/76/46/323427646.db2.gz WLTMOCWCAANUJK-UHFFFAOYSA-N 2 0 244.342 1.652 20 0 BDADRP COC[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000122602604 324050020 /nfs/dbraw/zinc/05/00/20/324050020.db2.gz HXDIZHICRZPJHC-TUAOUCFPSA-N 2 0 214.353 1.484 20 0 BDADRP COC[C@@H](C)C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000123101374 324083252 /nfs/dbraw/zinc/08/32/52/324083252.db2.gz LGDOUWKRTWYOQH-NWDGAFQWSA-N 2 0 226.364 1.343 20 0 BDADRP Fc1ccc(CNC[C@H]2CC[N@@H+](C3CC3)C2)nc1 ZINC000529532364 324327266 /nfs/dbraw/zinc/32/72/66/324327266.db2.gz ITWCWRQJDLJKNX-LLVKDONJSA-N 2 0 249.333 1.795 20 0 BDADRP C[C@H]([NH2+]C[C@]1(O)CCN(C)C1)C1CC(F)(F)C1 ZINC000529545367 324334357 /nfs/dbraw/zinc/33/43/57/324334357.db2.gz VSHTZRKIGMSZEO-GXSJLCMTSA-N 2 0 248.317 1.076 20 0 BDADRP CC[C@H](N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1CCC[NH2+]1 ZINC000530215709 324531407 /nfs/dbraw/zinc/53/14/07/324531407.db2.gz IDFYMGYJFKRFSO-RWMBFGLXSA-N 2 0 237.391 1.391 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000530226812 324546184 /nfs/dbraw/zinc/54/61/84/324546184.db2.gz SXNMLDXKVVEJHN-LVEVGFFFSA-N 2 0 214.353 1.515 20 0 BDADRP COCCCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000130112717 325014910 /nfs/dbraw/zinc/01/49/10/325014910.db2.gz MQAKSRLDYMOMKS-VXGBXAGGSA-N 2 0 214.353 1.485 20 0 BDADRP C[C@@H](O)C[C@@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000543088034 325071257 /nfs/dbraw/zinc/07/12/57/325071257.db2.gz YURSLRVHGJWGGF-VXGBXAGGSA-N 2 0 240.391 1.610 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)CC2CC[NH2+]CC2)cc1 ZINC000131096017 325114710 /nfs/dbraw/zinc/11/47/10/325114710.db2.gz QVWNSOGQYQXNPF-UHFFFAOYSA-N 2 0 247.342 1.474 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)C[C@@H]2CCC[NH2+]2)cc1 ZINC000131646610 325172627 /nfs/dbraw/zinc/17/26/27/325172627.db2.gz RZWAPTXCISBBAH-LBPRGKRZSA-N 2 0 233.315 1.226 20 0 BDADRP CN(CCC[NH+](C)C)Cc1ccn(C)c1 ZINC000564314920 325333029 /nfs/dbraw/zinc/33/30/29/325333029.db2.gz LKGAXSSDWBDLQE-UHFFFAOYSA-N 2 0 209.337 1.409 20 0 BDADRP Cc1cc(NC[C@@H]2CCc3nccn3C2)ncn1 ZINC000547746518 325391357 /nfs/dbraw/zinc/39/13/57/325391357.db2.gz CTSHBJVTSJYXPM-NSHDSACASA-N 2 0 243.314 1.078 20 0 BDADRP C[C@@H](CC[NH+](C)C)NC(=O)CCCC[NH+](C)C ZINC000552118559 325597229 /nfs/dbraw/zinc/59/72/29/325597229.db2.gz MWGWVOPGPSCLOF-LBPRGKRZSA-N 2 0 243.395 1.175 20 0 BDADRP OCC1([NH2+]CCC2CC[NH2+]CC2)CCCC1 ZINC000565095895 325856759 /nfs/dbraw/zinc/85/67/59/325856759.db2.gz ZNQUTSQPFBJAES-UHFFFAOYSA-N 2 0 226.364 1.271 20 0 BDADRP C[C@@]1(C[NH2+][C@H]2CCc3cc(N)ccc32)CC[NH2+]C1 ZINC000565608787 325934811 /nfs/dbraw/zinc/93/48/11/325934811.db2.gz IXQCIJVWNWUOBH-LSDHHAIUSA-N 2 0 245.370 1.845 20 0 BDADRP CC(C)C[C@@H]([NH3+])c1noc(C2CC[NH2+]CC2)n1 ZINC000566216367 326016517 /nfs/dbraw/zinc/01/65/17/326016517.db2.gz LRGSHVLLBKCQDX-SNVBAGLBSA-N 2 0 238.335 1.583 20 0 BDADRP C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000566245028 326022531 /nfs/dbraw/zinc/02/25/31/326022531.db2.gz XIXDRVJDWJVSFN-FZMZJTMJSA-N 2 0 233.359 1.185 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CCN1CC[NH2+]C(C)(C)C ZINC000566411510 326041399 /nfs/dbraw/zinc/04/13/99/326041399.db2.gz GZLZYHVAOKMDAR-GHMZBOCLSA-N 2 0 213.369 1.186 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1cc[nH]c(=O)c1 ZINC000566688457 326074584 /nfs/dbraw/zinc/07/45/84/326074584.db2.gz ABFXRLVHTFSXAL-ZMLRMANQSA-N 2 0 235.331 1.708 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000566867057 326089018 /nfs/dbraw/zinc/08/90/18/326089018.db2.gz TXFWHGRQUKKMLS-YIYPIFLZSA-N 2 0 239.407 1.719 20 0 BDADRP CC[NH2+]CCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000567579850 326221326 /nfs/dbraw/zinc/22/13/26/326221326.db2.gz MDKYKXWQTYPILZ-YNEHKIRRSA-N 2 0 238.375 1.533 20 0 BDADRP C[C@@H]1C[C@H](NC[C@@H]2CCC[NH+](C)C2)CC[N@@H+]1C ZINC000156291314 326226171 /nfs/dbraw/zinc/22/61/71/326226171.db2.gz INDOTURNRCUUBV-HZSPNIEDSA-N 3 0 239.407 1.401 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C(C)(C)C)C1 ZINC000567682914 326243908 /nfs/dbraw/zinc/24/39/08/326243908.db2.gz BQSCRYZPEBQRGV-YNEHKIRRSA-N 2 0 242.407 1.856 20 0 BDADRP CC1(C[NH+]2CCC(OCCC[NH3+])CC2)CC1 ZINC000567734522 326252830 /nfs/dbraw/zinc/25/28/30/326252830.db2.gz NOUYJJMIERVIDM-UHFFFAOYSA-N 2 0 226.364 1.616 20 0 BDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH3+] ZINC000567837950 326266945 /nfs/dbraw/zinc/26/69/45/326266945.db2.gz DOSGOMTYFMKLFW-VXGBXAGGSA-N 2 0 241.379 1.103 20 0 BDADRP Cc1ccc(O)c(C[NH2+][C@H](C)C[C@H](C)[NH3+])n1 ZINC000567870755 326273772 /nfs/dbraw/zinc/27/37/72/326273772.db2.gz LNKPPAXDRJRWRM-WCBMZHEXSA-N 2 0 223.320 1.311 20 0 BDADRP CC(C)[NH2+]CCC[NH2+][C@H](C)[C@H]1CCOC1 ZINC000158608809 326331798 /nfs/dbraw/zinc/33/17/98/326331798.db2.gz ZSPCZZUQFOZIQG-NEPJUHHUSA-N 2 0 214.353 1.389 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCOCC2CCC2)C1 ZINC000568247185 326333846 /nfs/dbraw/zinc/33/38/46/326333846.db2.gz DSIXOKBLYRXENV-CHWSQXEVSA-N 2 0 226.364 1.663 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H](CO)C2)C1 ZINC000568295339 326342866 /nfs/dbraw/zinc/34/28/66/326342866.db2.gz YMBVTIMQPGHXTD-WYUUTHIRSA-N 2 0 212.337 1.007 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000568714436 326373042 /nfs/dbraw/zinc/37/30/42/326373042.db2.gz PPIFIUKUWLVFTM-WUHRBBMRSA-N 2 0 228.380 1.872 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)[C@H]1CCC[NH2+]C1 ZINC000568856562 326379361 /nfs/dbraw/zinc/37/93/61/326379361.db2.gz XGGCWQYMVJIXDX-NNYUYHANSA-N 2 0 214.328 1.855 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CCC[C@@H](C[NH3+])C1 ZINC000568865383 326380021 /nfs/dbraw/zinc/38/00/21/326380021.db2.gz IERWGYYNCZWQEZ-RYUDHWBXSA-N 2 0 213.369 1.031 20 0 BDADRP C[C@H]1C[NH2+]CCN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000568891652 326381859 /nfs/dbraw/zinc/38/18/59/326381859.db2.gz WGCRCSHSSOPDCY-LBPRGKRZSA-N 2 0 245.370 1.126 20 0 BDADRP CC[NH2+]CCCN[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000569106206 326390520 /nfs/dbraw/zinc/39/05/20/326390520.db2.gz UBGHLSGHZNTPOS-WCQYABFASA-N 2 0 225.380 1.058 20 0 BDADRP O=C(C[NH2+]C1CC1)Nc1cccc2c1CC[NH2+]C2 ZINC000569203141 326394727 /nfs/dbraw/zinc/39/47/27/326394727.db2.gz RFKFDXKBTNCUKK-UHFFFAOYSA-N 2 0 245.326 1.023 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCCO2)[C@@H](C)C1 ZINC000221728368 487973523 /nfs/dbraw/zinc/97/35/23/487973523.db2.gz VEKWWMHJTALQDO-RWMBFGLXSA-N 2 0 226.364 1.485 20 0 BDADRP CC[N@@H+]1CCN(c2ccnc(N(C)C)n2)C[C@@H]1C ZINC000677152500 487984408 /nfs/dbraw/zinc/98/44/08/487984408.db2.gz MWGRKDWDTCABTO-NSHDSACASA-N 2 0 249.362 1.073 20 0 BDADRP C([C@H]1CC[NH2+]C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000220563107 487989991 /nfs/dbraw/zinc/98/99/91/487989991.db2.gz PJNGNHDZMCKWTL-UONOGXRCSA-N 2 0 237.391 1.156 20 0 BDADRP CCCN(CCC[NH+](C)C)C(=O)[C@H](C)[NH+](C)C ZINC000682587541 487994261 /nfs/dbraw/zinc/99/42/61/487994261.db2.gz RQVMEABSZLWPGJ-LBPRGKRZSA-N 2 0 243.395 1.127 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H]2CCCCO2)CC[C@@H]1[NH3+] ZINC000147436156 488023546 /nfs/dbraw/zinc/02/35/46/488023546.db2.gz RQJPNEJGEHXPIN-AGIUHOORSA-N 2 0 226.364 1.615 20 0 BDADRP CC[C@H]1C[N@H+](Cc2cnccc2C)CC[C@@H]1[NH3+] ZINC000135502257 488039039 /nfs/dbraw/zinc/03/90/39/488039039.db2.gz KMTSZHUHSKIESE-JSGCOSHPSA-N 2 0 233.359 1.949 20 0 BDADRP CC(C)N1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000084384849 488049941 /nfs/dbraw/zinc/04/99/41/488049941.db2.gz DAGRVXBIJUOLRJ-CYBMUJFWSA-N 2 0 225.380 1.012 20 0 BDADRP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)C(C)C ZINC000388608806 488049674 /nfs/dbraw/zinc/04/96/74/488049674.db2.gz XBHSNMJBVILWJH-MGPQQGTHSA-N 2 0 242.407 1.856 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000037210352 488058628 /nfs/dbraw/zinc/05/86/28/488058628.db2.gz ISRZFQZTJRUEOE-WCQYABFASA-N 2 0 226.364 1.485 20 0 BDADRP Cc1ncc(CN2CC[N@H+](C)CC2(C)C)n1C ZINC000667644604 488067714 /nfs/dbraw/zinc/06/77/14/488067714.db2.gz PFYYGGIGQGFVBQ-UHFFFAOYSA-N 2 0 236.363 1.255 20 0 BDADRP Cc1ncc(C[NH+]2CCC(C)(O)CC2)n1C ZINC000667644652 488067979 /nfs/dbraw/zinc/06/79/79/488067979.db2.gz QNXQCBVWVQGRBX-UHFFFAOYSA-N 2 0 223.320 1.075 20 0 BDADRP C[C@H](C[NH+]1CCC(O)(C[NH3+])CC1)C(C)(C)C ZINC000396980705 488069069 /nfs/dbraw/zinc/06/90/69/488069069.db2.gz NIPVFNSPYQSUAY-LLVKDONJSA-N 2 0 228.380 1.454 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)CC(C)(C)[NH3+] ZINC000237066610 488102960 /nfs/dbraw/zinc/10/29/60/488102960.db2.gz ZRYQDRWTTWYLFR-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)[C@@H]2CC[NH2+][C@@H]2C)c1 ZINC000669509261 488109110 /nfs/dbraw/zinc/10/91/10/488109110.db2.gz VWNSTDKCOCIONG-ZWNOBZJWSA-N 2 0 247.342 1.343 20 0 BDADRP Cc1c[nH]c(C[NH2+]CC2CC[NH+](C)CC2)n1 ZINC000657349275 488115685 /nfs/dbraw/zinc/11/56/85/488115685.db2.gz PJETZQMDWBHXQS-UHFFFAOYSA-N 2 0 222.336 1.150 20 0 BDADRP C[C@H]([NH3+])c1ccc(CNC(=O)CC(C)(C)[NH3+])cc1 ZINC000669512537 488118643 /nfs/dbraw/zinc/11/86/43/488118643.db2.gz XASPKSIBLNQZLG-JTQLQIEISA-N 2 0 249.358 1.450 20 0 BDADRP COCC(C)(C)C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000683145229 488118968 /nfs/dbraw/zinc/11/89/68/488118968.db2.gz VJEMVZTWPBIWSL-ZDUSSCGKSA-N 2 0 242.407 1.979 20 0 BDADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000397616268 488125000 /nfs/dbraw/zinc/12/50/00/488125000.db2.gz UJCXMDWADAZHSV-FRRDWIJNSA-N 2 0 238.375 1.221 20 0 BDADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](C)CO)C1 ZINC000121127311 490077164 /nfs/dbraw/zinc/07/71/64/490077164.db2.gz VRRWUIXXWRQVJO-CHWSQXEVSA-N 2 0 228.380 1.279 20 0 BDADRP CCc1nn(C)cc1CN(C)CCC[NH2+]C ZINC000167901576 487475207 /nfs/dbraw/zinc/47/52/07/487475207.db2.gz ZTDWOZQLUJKXOK-UHFFFAOYSA-N 2 0 224.352 1.024 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)[C@H](C)[C@@H]1C ZINC000399627304 487491206 /nfs/dbraw/zinc/49/12/06/487491206.db2.gz VRNWQHNGVQQPJF-ZOBORPQBSA-N 2 0 242.407 1.664 20 0 BDADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](C[C@H]1CCSC1)C2 ZINC000381372716 487506646 /nfs/dbraw/zinc/50/66/46/487506646.db2.gz IBLKMFFNHQFRKB-AGIUHOORSA-N 2 0 240.416 1.800 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000334848776 487573466 /nfs/dbraw/zinc/57/34/66/487573466.db2.gz SFOYYGKWOBLZQC-POOIEITISA-N 3 0 225.380 1.363 20 0 BDADRP CC(C)n1cc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cn1 ZINC000666951992 487890602 /nfs/dbraw/zinc/89/06/02/487890602.db2.gz BFCSWFZDJVCGHP-CYBMUJFWSA-N 2 0 248.374 1.696 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]Cc1cnc2ccccn12 ZINC000666941265 487909033 /nfs/dbraw/zinc/90/90/33/487909033.db2.gz XGVUAJMKBUAIBD-LLVKDONJSA-N 2 0 232.331 1.551 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000449129759 487930788 /nfs/dbraw/zinc/93/07/88/487930788.db2.gz WKHOIWSAJBZYFS-WQAKAFBOSA-N 2 0 247.342 1.772 20 0 BDADRP C[C@@H](CO)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000683228140 488135467 /nfs/dbraw/zinc/13/54/67/488135467.db2.gz VTQLBRKUVIUHSU-NEPJUHHUSA-N 2 0 214.353 1.031 20 0 BDADRP C[C@H](CO)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000683228141 488135544 /nfs/dbraw/zinc/13/55/44/488135544.db2.gz VTQLBRKUVIUHSU-NWDGAFQWSA-N 2 0 214.353 1.031 20 0 BDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]CC(C)(C)C ZINC000657574305 488137254 /nfs/dbraw/zinc/13/72/54/488137254.db2.gz VXRYJQSCHXXCIJ-ZDUSSCGKSA-N 2 0 243.439 1.894 20 0 BDADRP CC[C@@H]1CC[C@@H](C)[N@@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000379920923 488158249 /nfs/dbraw/zinc/15/82/49/488158249.db2.gz QNWCNNYQSVTZPF-MGPQQGTHSA-N 2 0 242.407 1.950 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2O)c2ccccc21 ZINC000323291651 488165361 /nfs/dbraw/zinc/16/53/61/488165361.db2.gz NXFMYDPCONJKEE-YIYPIFLZSA-N 2 0 232.327 1.634 20 0 BDADRP C[C@@H](CO)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000678043404 488178776 /nfs/dbraw/zinc/17/87/76/488178776.db2.gz CETILBKSRGGCDZ-OCCSQVGLSA-N 2 0 240.391 1.279 20 0 BDADRP c1cc([C@@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)n[nH]1 ZINC000178959203 488187214 /nfs/dbraw/zinc/18/72/14/488187214.db2.gz SQECTNPXDNNOMJ-CYBMUJFWSA-N 2 0 248.374 1.589 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000224431354 488204251 /nfs/dbraw/zinc/20/42/51/488204251.db2.gz JAKQKYTUGYYCBE-IACUBPJLSA-N 2 0 240.391 1.874 20 0 BDADRP Cc1ncc(C[N@H+](C)CCCn2ccnc2)n1C ZINC000668168076 488213151 /nfs/dbraw/zinc/21/31/51/488213151.db2.gz MMCNYIVPVFFXLR-UHFFFAOYSA-N 2 0 247.346 1.447 20 0 BDADRP CC(C)[NH2+]CC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000037610087 488247578 /nfs/dbraw/zinc/24/75/78/488247578.db2.gz KMZBYXUXDMMNCV-UHFFFAOYSA-N 2 0 249.358 1.685 20 0 BDADRP C[C@H](C[NH2+][C@H](C)CCCCO)C[NH+]1CCCC1 ZINC000679333331 488340976 /nfs/dbraw/zinc/34/09/76/488340976.db2.gz JMSZZTIIVYFKMP-ZIAGYGMSSA-N 2 0 242.407 1.859 20 0 BDADRP CO[C@@H](C)C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000679851533 488368872 /nfs/dbraw/zinc/36/88/72/488368872.db2.gz SBDMNYUAYUJXQE-NWDGAFQWSA-N 2 0 223.320 1.555 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1nccn1C ZINC000665282941 490096468 /nfs/dbraw/zinc/09/64/68/490096468.db2.gz FATXOVLDWNCYOY-UMSGYPCISA-N 2 0 248.374 1.459 20 0 BDADRP CC(C)[C@@H](CCO)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000123754681 490258703 /nfs/dbraw/zinc/25/87/03/490258703.db2.gz MNWNHVGTKYSMCY-GXTWGEPZSA-N 2 0 242.407 1.713 20 0 BDADRP c1cn2c(n1)C[C@H]([NH2+][C@H]1CO[C@@H](C3CC3)C1)CC2 ZINC000668012001 490318752 /nfs/dbraw/zinc/31/87/52/490318752.db2.gz PNWPLHWYCQHWNI-JHJVBQTASA-N 2 0 247.342 1.355 20 0 BDADRP CC[C@@H]1CCC[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000219320770 490566520 /nfs/dbraw/zinc/56/65/20/490566520.db2.gz MLWVUWFUXFAWJL-OLZOCXBDSA-N 2 0 228.380 1.733 20 0 BDADRP Cn1cncc1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000401633305 490582205 /nfs/dbraw/zinc/58/22/05/490582205.db2.gz BEWQCXFPXYADHA-OLZOCXBDSA-N 2 0 248.374 1.179 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+]Cc2nccs2)CC1 ZINC000227329798 491058795 /nfs/dbraw/zinc/05/87/95/491058795.db2.gz VNNKKDIGXKHUBZ-UHFFFAOYSA-N 2 0 239.388 1.965 20 0 BDADRP CCc1nn(C)cc1C[NH2+]CCCC[NH+](C)C ZINC000124016076 491121332 /nfs/dbraw/zinc/12/13/32/491121332.db2.gz OQIUKFOHFQXUOI-UHFFFAOYSA-N 2 0 238.379 1.414 20 0 BDADRP C[C@@H]1CCC[C@H](C[N@@H+]2CCCO[C@H](C[NH3+])C2)C1 ZINC000313369737 491124164 /nfs/dbraw/zinc/12/41/64/491124164.db2.gz GICJDOSBNLVKGW-HZSPNIEDSA-N 2 0 240.391 1.862 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H](COC)C2CC2)CC1 ZINC000126466219 491131929 /nfs/dbraw/zinc/13/19/29/491131929.db2.gz WTJVUJLCAGRJBS-CQSZACIVSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)C1CC[NH+](C)CC1 ZINC000302023728 491133168 /nfs/dbraw/zinc/13/31/68/491133168.db2.gz GKXQALLKJDKHSC-MBNYWOFBSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC(C)(C)[NH3+] ZINC001332054463 974934882 /nfs/dbraw/zinc/93/48/82/974934882.db2.gz HUIYBAICSVRSJX-QWRGUYRKSA-N 2 0 241.379 1.103 20 0 BDADRP C[C@@H]1C[N@H+](CCCCCCO)CC[C@H]1[NH3+] ZINC000300332482 582518481 /nfs/dbraw/zinc/51/84/81/582518481.db2.gz RWYDUPBVLPSSCA-VXGBXAGGSA-N 2 0 214.353 1.208 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000400698866 533839047 /nfs/dbraw/zinc/83/90/47/533839047.db2.gz JPXXKUWCIOKZKV-AAEUAGOBSA-N 3 0 225.380 1.058 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCOC1)[C@@H]1CCC[NH2+]1 ZINC000400535461 533868629 /nfs/dbraw/zinc/86/86/29/533868629.db2.gz TUDWYYXZFVCVKT-SRVKXCTJSA-N 2 0 212.337 1.143 20 0 BDADRP CC[N@@H+]1CCC[C@@H](N[C@H]2CCC[NH2+]CC2)C1 ZINC000252793262 535541261 /nfs/dbraw/zinc/54/12/61/535541261.db2.gz WWOYQSKTVRKWQE-QWHCGFSZSA-N 2 0 225.380 1.202 20 0 BDADRP C[C@H](O)CC(C)(C)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400381227 534052115 /nfs/dbraw/zinc/05/21/15/534052115.db2.gz XBNZMLWTJJEYIH-SDDRHHMPSA-N 2 0 228.380 1.514 20 0 BDADRP CCOC[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250493262 535689196 /nfs/dbraw/zinc/68/91/96/535689196.db2.gz IWGHKVDEDLWTBD-XQQFMLRXSA-N 2 0 226.364 1.628 20 0 BDADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)C2CC2)CC1 ZINC000177216785 535730227 /nfs/dbraw/zinc/73/02/27/535730227.db2.gz FJCGEGBAEOOKMZ-STQMWFEESA-N 2 0 239.407 1.401 20 0 BDADRP CC[N@@H+]1C[C@H](C)[C@H](NCCC[NH+]2CCCC2)C1 ZINC000347722934 535781402 /nfs/dbraw/zinc/78/14/02/535781402.db2.gz PFKMYEXIDJLBPK-UONOGXRCSA-N 2 0 239.407 1.402 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(F)F ZINC000849031687 582833684 /nfs/dbraw/zinc/83/36/84/582833684.db2.gz ZEURTPKZAHCCBV-SECBINFHSA-N 2 0 248.321 1.240 20 0 BDADRP C1[NH2+]C[C@H]2C[C@H]([NH2+]C3CCSCC3)CC[C@@H]12 ZINC000401032345 526424527 /nfs/dbraw/zinc/42/45/27/526424527.db2.gz QCQLVKDUOAUAIE-DMDPSCGWSA-N 2 0 240.416 1.860 20 0 BDADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000494999099 528143462 /nfs/dbraw/zinc/14/34/62/528143462.db2.gz RAEKWHFVXKVKTB-MELADBBJSA-N 2 0 242.407 1.979 20 0 BDADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C2CSC2)C1 ZINC000393685626 582915724 /nfs/dbraw/zinc/91/57/24/582915724.db2.gz YOPQUGUOKPBIDE-JTQLQIEISA-N 2 0 214.378 1.423 20 0 BDADRP CCC(CC)(CO)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400432793 528707262 /nfs/dbraw/zinc/70/72/62/528707262.db2.gz KKJJSISTRJYSPX-RYUDHWBXSA-N 2 0 228.380 1.515 20 0 BDADRP CCOC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401078625 528979833 /nfs/dbraw/zinc/97/98/33/528979833.db2.gz PVZVRUXLIBLJGU-WUHRBBMRSA-N 2 0 226.364 1.389 20 0 BDADRP CC[C@H]1C[C@H](C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000479968678 529326811 /nfs/dbraw/zinc/32/68/11/529326811.db2.gz ZGVJIBLVZMDXFN-MQYQWHSLSA-N 2 0 238.375 1.343 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)CCCO)CC1 ZINC000087358610 535160901 /nfs/dbraw/zinc/16/09/01/535160901.db2.gz DVPWCJRQKJOGLE-LBPRGKRZSA-N 2 0 228.380 1.610 20 0 BDADRP CCOCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250565706 535550043 /nfs/dbraw/zinc/55/00/43/535550043.db2.gz VASQPDOOOQYKPS-OLZOCXBDSA-N 2 0 226.364 1.629 20 0 BDADRP CCOCCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000084215647 535552129 /nfs/dbraw/zinc/55/21/29/535552129.db2.gz KBLQAAFWXGTLLM-RYUDHWBXSA-N 2 0 214.353 1.520 20 0 BDADRP CCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000169028283 535678558 /nfs/dbraw/zinc/67/85/58/535678558.db2.gz ARWLCBATKZTKMI-WOPDTQHZSA-N 2 0 241.379 1.103 20 0 BDADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)C2CC2)CC1 ZINC000177216801 535741510 /nfs/dbraw/zinc/74/15/10/535741510.db2.gz FJCGEGBAEOOKMZ-OLZOCXBDSA-N 2 0 239.407 1.401 20 0 BDADRP CCc1nn(C)cc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000168661408 535828662 /nfs/dbraw/zinc/82/86/62/535828662.db2.gz NBCWIIHPRMJVLA-ZWNOBZJWSA-N 2 0 236.363 1.200 20 0 BDADRP CC[C@@H]1C[C@H](C[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)CCO1 ZINC000262061733 535899594 /nfs/dbraw/zinc/89/95/94/535899594.db2.gz RESPPVNJCSEIKK-LOWDOPEQSA-N 2 0 226.364 1.471 20 0 BDADRP CN(C)[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000084419914 536136589 /nfs/dbraw/zinc/13/65/89/536136589.db2.gz RCTGPEFIWDMRKD-ZDUSSCGKSA-N 2 0 225.380 1.012 20 0 BDADRP C[N@H+](CCNCC(C)(C)[NH3+])C1CCCC1 ZINC000261533869 536387118 /nfs/dbraw/zinc/38/71/18/536387118.db2.gz LNBHZWRKYWMACX-UHFFFAOYSA-N 2 0 213.369 1.188 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CCCC[C@H]1C[NH3+])C1CC1 ZINC000262022930 536647769 /nfs/dbraw/zinc/64/77/69/536647769.db2.gz YISXZRLPTDTBKF-RWMBFGLXSA-N 2 0 226.364 1.519 20 0 BDADRP COCCC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000177944762 536667822 /nfs/dbraw/zinc/66/78/22/536667822.db2.gz IVFKVAKCPRADMW-STQMWFEESA-N 2 0 240.391 1.875 20 0 BDADRP CO[C@H]1CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000347713943 536708376 /nfs/dbraw/zinc/70/83/76/536708376.db2.gz XTWSANDGDOFEKC-KBPBESRZSA-N 2 0 240.391 1.972 20 0 BDADRP COc1cc(C[NH2+][C@@H](C)CC[NH3+])ccc1C ZINC000220491790 536805279 /nfs/dbraw/zinc/80/52/79/536805279.db2.gz JBJBJVSRBKQVTG-NSHDSACASA-N 2 0 222.332 1.831 20 0 BDADRP CO[C@H]1C[C@H]([NH2+]C2CCC([NH3+])CC2)C1(C)C ZINC000261533685 536826912 /nfs/dbraw/zinc/82/69/12/536826912.db2.gz JYDZDODTXOJWFB-QQFIATSDSA-N 2 0 226.364 1.659 20 0 BDADRP COCCCCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351481782 536874157 /nfs/dbraw/zinc/87/41/57/536874157.db2.gz YFHJSOVEEIJCKE-XQQFMLRXSA-N 2 0 226.364 1.472 20 0 BDADRP COC[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])C(C)C ZINC000251370060 536879151 /nfs/dbraw/zinc/87/91/51/536879151.db2.gz XBXZVYRGFHLZEB-XQQFMLRXSA-N 2 0 228.380 1.765 20 0 BDADRP C[C@@H]([NH2+]CCCCO)C1CC[NH+](C)CC1 ZINC000235209268 566367028 /nfs/dbraw/zinc/36/70/28/566367028.db2.gz DGFHTCVKGRUJEA-LLVKDONJSA-N 2 0 214.353 1.079 20 0 BDADRP C[C@]1(CN2CC[C@]3(C2)CCC[NH2+]C3)CC[NH2+]C1 ZINC000334420930 566396285 /nfs/dbraw/zinc/39/62/85/566396285.db2.gz QPISGUGSODTTBX-UONOGXRCSA-N 2 0 237.391 1.062 20 0 BDADRP COC[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)C(C)C ZINC000086695662 583109594 /nfs/dbraw/zinc/10/95/94/583109594.db2.gz TZYVZEIFWTWCIY-TZMCWYRMSA-N 2 0 242.407 1.977 20 0 BDADRP CO[C@@]1(C)CCC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000894136790 583315398 /nfs/dbraw/zinc/31/53/98/583315398.db2.gz SCNMASBRYOYCMZ-AWEZNQCLSA-N 2 0 240.391 1.829 20 0 BDADRP C[N@H+](CCC[NH3+])CCC1SCCS1 ZINC000853022816 588716510 /nfs/dbraw/zinc/71/65/10/588716510.db2.gz FZBDLOZDXGVDRA-UHFFFAOYSA-N 2 0 220.407 1.463 20 0 BDADRP CC1([NH3+])CC[NH+](CCC2SCCS2)CC1 ZINC000853023454 588716759 /nfs/dbraw/zinc/71/67/59/588716759.db2.gz XNPIGZURGYGZNJ-UHFFFAOYSA-N 2 0 246.445 1.996 20 0 BDADRP C([NH2+][C@@H]1CCC12CCOCC2)C12CC(C1)C[NH2+]2 ZINC000854227098 588780437 /nfs/dbraw/zinc/78/04/37/588780437.db2.gz LQXAKCYFTIMDFQ-MBHSVXNSSA-N 2 0 236.359 1.287 20 0 BDADRP C([NH2+][C@H]1CC[C@@H]1C1CC1)C12CC(C1)C[NH2+]2 ZINC000854228326 588780773 /nfs/dbraw/zinc/78/07/73/588780773.db2.gz VFQGKYVWIDMPJJ-JPLDKTBPSA-N 2 0 206.333 1.517 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000854230224 588780794 /nfs/dbraw/zinc/78/07/94/588780794.db2.gz KEBBVKIRQQGTAA-NEPJUHHUSA-N 2 0 236.363 1.750 20 0 BDADRP c1c(C[NH+]2CCCC2)sc2c1C[NH2+]CC2 ZINC000139614597 582540381 /nfs/dbraw/zinc/54/03/81/582540381.db2.gz VEVPIZFJCDAGFE-UHFFFAOYSA-N 2 0 222.357 1.990 20 0 BDADRP CCC[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)CCO1 ZINC000892067871 582784470 /nfs/dbraw/zinc/78/44/70/582784470.db2.gz BELZPHCDMJVGQW-CQSZACIVSA-N 2 0 240.391 1.829 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCCOC(C)(C)C2)CC1 ZINC000892075847 582786108 /nfs/dbraw/zinc/78/61/08/582786108.db2.gz OPECZQADDWPOAW-UHFFFAOYSA-N 2 0 240.391 1.829 20 0 BDADRP COC1CCC(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000892251545 582813053 /nfs/dbraw/zinc/81/30/53/582813053.db2.gz IWSKPYVHCCKZMU-CEUNDQEZSA-N 2 0 238.375 1.343 20 0 BDADRP COc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(C)c1 ZINC000892253284 582814208 /nfs/dbraw/zinc/81/42/08/582814208.db2.gz ZLRLYHHEOJVZBL-OKILXGFUSA-N 2 0 246.354 1.655 20 0 BDADRP CCCCNC(=[NH2+])NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000848996206 582821003 /nfs/dbraw/zinc/82/10/03/582821003.db2.gz KWQORATULQNAGK-LBPRGKRZSA-N 2 0 240.395 1.631 20 0 BDADRP COc1ccc(C[NH2+]CCCC[NH+](C)C)o1 ZINC000892743072 582974093 /nfs/dbraw/zinc/97/40/93/582974093.db2.gz ZLCLDGWMTIIUNZ-UHFFFAOYSA-N 2 0 226.320 1.720 20 0 BDADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)COC(C)=O)C1 ZINC000892743850 582974393 /nfs/dbraw/zinc/97/43/93/582974393.db2.gz SUXQGQHBCRMQCV-AAEUAGOBSA-N 2 0 242.363 1.260 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)[C@H]1OC ZINC000892762561 582978053 /nfs/dbraw/zinc/97/80/53/582978053.db2.gz FMTDPCMDEJXUML-UMSGYPCISA-N 2 0 244.379 1.109 20 0 BDADRP CC(=O)OC[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000893094012 583048613 /nfs/dbraw/zinc/04/86/13/583048613.db2.gz CUVJIGULBKVHQZ-WCFLWFBJSA-N 2 0 242.363 1.400 20 0 BDADRP CC(C)[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000114476210 588874929 /nfs/dbraw/zinc/87/49/29/588874929.db2.gz SPVCZLVNFKFWHS-UHFFFAOYSA-N 2 0 225.380 1.108 20 0 BDADRP C[NH+](C)CC1CCC([NH2+]Cc2cnccn2)CC1 ZINC000856775078 588877248 /nfs/dbraw/zinc/87/72/48/588877248.db2.gz CXWVMCIQDOUYCM-UHFFFAOYSA-N 2 0 248.374 1.687 20 0 BDADRP C/C=C/C[C@H](CO)[NH2+]CC1CC[NH+](C)CC1 ZINC000893662465 583190771 /nfs/dbraw/zinc/19/07/71/583190771.db2.gz XZMZYCVMCJTKSI-ITDFMYJTSA-N 2 0 226.364 1.245 20 0 BDADRP C[C@@H]1[C@H](C)[N@H+](CC2CC[NH+](C)CC2)CCN1C ZINC000893669599 583192054 /nfs/dbraw/zinc/19/20/54/583192054.db2.gz QTDNPNUPYZWYRM-OLZOCXBDSA-N 2 0 239.407 1.353 20 0 BDADRP CCC[NH+]1CCN(Cc2c(C)ccnc2N)CC1 ZINC000893872335 583237701 /nfs/dbraw/zinc/23/77/01/583237701.db2.gz RIIYACFWEHHRLA-UHFFFAOYSA-N 2 0 248.374 1.500 20 0 BDADRP CC[C@H]1CO[C@H](C)CN1Cc1c(C)ccnc1N ZINC000893894121 583245080 /nfs/dbraw/zinc/24/50/80/583245080.db2.gz AVPUJXQWEFJQSM-NEPJUHHUSA-N 2 0 249.358 1.972 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CC1(Cl)Cl)C1C[NH2+]C1 ZINC000857253173 588901516 /nfs/dbraw/zinc/90/15/16/588901516.db2.gz IFYSSOXNZOTOAD-CBAPKCEASA-N 2 0 237.174 1.768 20 0 BDADRP CN(C)c1cc(N(C)C[C@H]2CCC[N@@H+]2C)ncn1 ZINC000894247276 583390680 /nfs/dbraw/zinc/39/06/80/583390680.db2.gz DFDLKEZDKPPSSR-LLVKDONJSA-N 2 0 249.362 1.073 20 0 BDADRP CC(=O)OC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000894454883 583464648 /nfs/dbraw/zinc/46/46/48/583464648.db2.gz BJCARHCSKMQFHI-WCQYABFASA-N 2 0 242.363 1.258 20 0 BDADRP COC[C@H]1CC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000894613423 583494448 /nfs/dbraw/zinc/49/44/48/583494448.db2.gz XKKIZGRUAVGKPH-GFCCVEGCSA-N 2 0 212.337 1.049 20 0 BDADRP CS[C@@H]1CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000894691663 583507936 /nfs/dbraw/zinc/50/79/36/583507936.db2.gz APGIHFDCRJUOFY-GFCCVEGCSA-N 2 0 228.405 1.766 20 0 BDADRP COCC1(CC[NH2+]CC2CC[NH+](C)CC2)CC1 ZINC000895090981 583586703 /nfs/dbraw/zinc/58/67/03/583586703.db2.gz HLDMVTHRJMWDMG-UHFFFAOYSA-N 2 0 240.391 1.735 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)CC1 ZINC000895386802 583663216 /nfs/dbraw/zinc/66/32/16/583663216.db2.gz YCCILGUTEXEEBY-UONOGXRCSA-N 2 0 238.375 1.297 20 0 BDADRP CN(C)c1ccnc(C[NH2+]CCC[C@@H]2CCO2)c1 ZINC000896299116 583789780 /nfs/dbraw/zinc/78/97/80/583789780.db2.gz RYWSTQNWZQEUAF-CQSZACIVSA-N 2 0 249.358 1.806 20 0 BDADRP C[N@@H+]1CC[C@@H](N[C@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000858127595 588934325 /nfs/dbraw/zinc/93/43/25/588934325.db2.gz JRVKPMQUPFJKBG-NWDGAFQWSA-N 2 0 225.380 1.153 20 0 BDADRP C[NH+]1CCC(NCc2ccnc(F)c2)CC1 ZINC000858090055 588932069 /nfs/dbraw/zinc/93/20/69/588932069.db2.gz JPIQOJUIPGIRBH-UHFFFAOYSA-N 2 0 223.295 1.405 20 0 BDADRP [NH3+]CCC1CC[NH+](C/C=C\Cl)CC1 ZINC000216607740 583897636 /nfs/dbraw/zinc/89/76/36/583897636.db2.gz SXRHSCKRNAJIRV-KTAJNNJTSA-N 2 0 202.729 1.800 20 0 BDADRP Cc1cc(NCC[N@@H+]2CCC(C)(C)C2)nc(N)[nH+]1 ZINC000897247948 583902744 /nfs/dbraw/zinc/90/27/44/583902744.db2.gz GWQBVTXFSZNNCX-UHFFFAOYSA-N 2 0 249.362 1.511 20 0 BDADRP CC(C)[N@H+](C)CCCNC(=[NH2+])N[C@@H]1C[C@@H]1C ZINC000864453520 584005454 /nfs/dbraw/zinc/00/54/54/584005454.db2.gz XLPFVLOKWSOCHK-WDEREUQCSA-N 2 0 226.368 1.239 20 0 BDADRP C[C@@H]1CC[N@H+](CCNC(=[NH2+])NCCC2CC2)C1 ZINC000864456199 584006141 /nfs/dbraw/zinc/00/61/41/584006141.db2.gz DOFFKIQPMPTMAH-LLVKDONJSA-N 2 0 238.379 1.242 20 0 BDADRP CC(C)[NH2+][C@@H]1CCCN(c2cc[nH+]c(CO)c2)C1 ZINC000858378978 588949774 /nfs/dbraw/zinc/94/97/74/588949774.db2.gz UMQNUXPIHOODNJ-GFCCVEGCSA-N 2 0 249.358 1.541 20 0 BDADRP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCN1C ZINC000897813236 584046861 /nfs/dbraw/zinc/04/68/61/584046861.db2.gz IRMRAQZIRJTINQ-QSAXWINLSA-N 2 0 236.359 1.235 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CC23CC(O)C3)CC1(C)C ZINC000897840932 584053366 /nfs/dbraw/zinc/05/33/66/584053366.db2.gz JORIJCPRGBQJCO-KTEZZQQRSA-N 2 0 238.375 1.362 20 0 BDADRP C[C@H]1C[C@H](Nc2cc[nH+]c(CO)c2)CC[N@@H+]1C ZINC000858423315 588953380 /nfs/dbraw/zinc/95/33/80/588953380.db2.gz CRWQHHQKAJDRRW-CMPLNLGQSA-N 2 0 235.331 1.469 20 0 BDADRP O[C@H](CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000898203183 584090169 /nfs/dbraw/zinc/09/01/69/584090169.db2.gz GJNTYSFQVSPHLQ-MGPQQGTHSA-N 2 0 238.375 1.364 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000866666707 584121541 /nfs/dbraw/zinc/12/15/41/584121541.db2.gz VFPHVHBOZLIKCD-XQQFMLRXSA-N 2 0 224.348 1.239 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000866666706 584121622 /nfs/dbraw/zinc/12/16/22/584121622.db2.gz VFPHVHBOZLIKCD-RWMBFGLXSA-N 2 0 224.348 1.239 20 0 BDADRP CC[N@H+](CCNC(=[NH2+])N[C@H](C)C1CC1)C(C)C ZINC000899265178 584189370 /nfs/dbraw/zinc/18/93/70/584189370.db2.gz SHJJHSAWYCBUAN-LLVKDONJSA-N 2 0 240.395 1.629 20 0 BDADRP C[C@H](NC(=[NH2+])NCC1=CC[N@H+](C)CC1)C1CC1 ZINC000899270936 584191184 /nfs/dbraw/zinc/19/11/84/584191184.db2.gz QRZFOFWLKBWHLF-JTQLQIEISA-N 2 0 236.363 1.161 20 0 BDADRP C[C@H](CNC(=[NH2+])N[C@H](C)C1CC1)C[NH+](C)C ZINC000899272368 584192031 /nfs/dbraw/zinc/19/20/31/584192031.db2.gz DSLVOSDWZNWBDC-NXEZZACHSA-N 2 0 226.368 1.097 20 0 BDADRP C[C@@H](NC(=[NH2+])NC[C@H]1C[C@@H]([NH+](C)C)C1)C1CC1 ZINC000899276816 584192545 /nfs/dbraw/zinc/19/25/45/584192545.db2.gz OZDOJUMEPWPDGV-FOGDFJRCSA-N 2 0 238.379 1.239 20 0 BDADRP [NH3+]C1(c2noc([C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)n2)CCC1 ZINC000900008649 584264670 /nfs/dbraw/zinc/26/46/70/584264670.db2.gz OEHISFLQMYGGMF-DJLDLDEBSA-N 2 0 234.303 1.015 20 0 BDADRP CCC[C@@H](O)C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902320223 584551823 /nfs/dbraw/zinc/55/18/23/584551823.db2.gz OYVSEJJGJLLEPH-VXGBXAGGSA-N 2 0 228.380 1.515 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@H]2CCCCO2)C1 ZINC000902320737 584552028 /nfs/dbraw/zinc/55/20/28/584552028.db2.gz RYCKFRGJPKBROF-QWHCGFSZSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H](CN[C@H]1CC[NH2+]CC(C)(C)C1)[NH+](C)C ZINC000902316171 584555397 /nfs/dbraw/zinc/55/53/97/584555397.db2.gz FGLZAIZUCLTQHC-NEPJUHHUSA-N 2 0 227.396 1.304 20 0 BDADRP C[C@@H](CCCO)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902344788 584558489 /nfs/dbraw/zinc/55/84/89/584558489.db2.gz GCLWNRZFAHGCSZ-NWDGAFQWSA-N 2 0 228.380 1.515 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCOCC2CC2)C1 ZINC000902347262 584559070 /nfs/dbraw/zinc/55/90/70/584559070.db2.gz IIQQQLWTBMXKHG-ZDUSSCGKSA-N 2 0 240.391 1.781 20 0 BDADRP CO[C@H](C)C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902376061 584567784 /nfs/dbraw/zinc/56/77/84/584567784.db2.gz HXASIFBYSYSEIW-MNOVXSKESA-N 2 0 214.353 1.389 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCC2CC(O)C2)C1 ZINC000902377549 584568654 /nfs/dbraw/zinc/56/86/54/584568654.db2.gz UPRMTPIDDRAXDA-CPCZMJQVSA-N 2 0 240.391 1.515 20 0 BDADRP [NH3+][C@H]1C[C@@H](NCC2([NH3+])CC2)c2ccccc21 ZINC000902405585 584573356 /nfs/dbraw/zinc/57/33/56/584573356.db2.gz JAYCXBFKDLPZPY-NWDGAFQWSA-N 2 0 217.316 1.212 20 0 BDADRP CC(C)O[C@H]1C[C@@H]([NH2+]CC2([NH3+])CC2)C1(C)C ZINC000902407192 584574650 /nfs/dbraw/zinc/57/46/50/584574650.db2.gz QALSAETUIQKKAI-MNOVXSKESA-N 2 0 226.364 1.659 20 0 BDADRP COc1cccc(C[C@H](C)[NH2+]CC2([NH3+])CC2)n1 ZINC000902407587 584575103 /nfs/dbraw/zinc/57/51/03/584575103.db2.gz RDTMZONFHLPESF-JTQLQIEISA-N 2 0 235.331 1.102 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)[C@@H](C)O ZINC000902389170 584580709 /nfs/dbraw/zinc/58/07/09/584580709.db2.gz VOFBRGPQNLNTDZ-UTUOFQBUSA-N 2 0 228.380 1.514 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)O1 ZINC000902390034 584581371 /nfs/dbraw/zinc/58/13/71/584581371.db2.gz FSCPPWAOCNERAK-UPJWGTAASA-N 2 0 240.391 1.922 20 0 BDADRP CC[NH2+]CCCN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902391068 584582147 /nfs/dbraw/zinc/58/21/47/584582147.db2.gz SJJPKOMZEUAFDI-LBPRGKRZSA-N 2 0 227.396 1.354 20 0 BDADRP COCC1(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902391446 584582259 /nfs/dbraw/zinc/58/22/59/584582259.db2.gz GAUWFWYQIVRZGP-LBPRGKRZSA-N 2 0 240.391 1.781 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CC23CC3)C1 ZINC000902395141 584584560 /nfs/dbraw/zinc/58/45/60/584584560.db2.gz ZRUCSDWAILKVLT-WDEREUQCSA-N 2 0 208.349 1.907 20 0 BDADRP C[C@@H]1CC[C@@H](N[C@H]2CC[NH2+]CC(C)(C)C2)C[NH2+]1 ZINC000902398434 584585928 /nfs/dbraw/zinc/58/59/28/584585928.db2.gz PIJKAZGGUBZIRW-FRRDWIJNSA-N 2 0 239.407 1.495 20 0 BDADRP [NH3+]C1(C[NH2+]C2C3CC4CC(C3)CC2C4)CC1 ZINC000902415754 584589624 /nfs/dbraw/zinc/58/96/24/584589624.db2.gz QBAIHDCKXFNAQJ-UHFFFAOYSA-N 2 0 220.360 1.892 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[C@@H](C2CC2)O1 ZINC000902428296 584594380 /nfs/dbraw/zinc/59/43/80/584594380.db2.gz BIQXRQXNVFILOB-NDBYEHHHSA-N 2 0 224.348 1.413 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902431465 584595434 /nfs/dbraw/zinc/59/54/34/584595434.db2.gz FIFHJUGPJKFJGM-BSLXNSKLSA-N 2 0 245.370 1.341 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000902433291 584595893 /nfs/dbraw/zinc/59/58/93/584595893.db2.gz ZWSKIHFKESQAFV-RNJOBUHISA-N 2 0 226.364 1.397 20 0 BDADRP [NH3+]C1(CN[C@@H]2CCc3ccccc32)CC1 ZINC000902414852 584600400 /nfs/dbraw/zinc/60/04/00/584600400.db2.gz DULNOXJBCITGEZ-GFCCVEGCSA-N 2 0 202.301 1.755 20 0 BDADRP CC[C@H](NC[C@@H]1CCCCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000902476642 584603029 /nfs/dbraw/zinc/60/30/29/584603029.db2.gz NGNNFNBAIQAOBI-IHRRRGAJSA-N 2 0 239.407 1.639 20 0 BDADRP C[C@H](NC[C@@H]1CCCCC[NH2+]1)[C@@H]1CCCC[NH2+]1 ZINC000902477727 584603628 /nfs/dbraw/zinc/60/36/28/584603628.db2.gz RIIMISOKJUWBRF-IHRRRGAJSA-N 2 0 239.407 1.639 20 0 BDADRP [NH3+][C@@H]1C[C@H](NC[C@@H]2CCCCC[NH2+]2)C12CCC2 ZINC000902479377 584603965 /nfs/dbraw/zinc/60/39/65/584603965.db2.gz XHZRQNWVNFVUPJ-XQQFMLRXSA-N 2 0 237.391 1.378 20 0 BDADRP [NH3+][C@@H]1C[C@H](NC[C@H]2CCCCC[NH2+]2)C12CCC2 ZINC000902479375 584604303 /nfs/dbraw/zinc/60/43/03/584604303.db2.gz XHZRQNWVNFVUPJ-UPJWGTAASA-N 2 0 237.391 1.378 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc3nonc3c2)C1 ZINC000902452807 584608293 /nfs/dbraw/zinc/60/82/93/584608293.db2.gz BDKBPNHJMBQWMO-MNOVXSKESA-N 2 0 246.314 1.582 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1NCC[N@@H+]1CCC(C)(C)C1 ZINC000902456656 584610441 /nfs/dbraw/zinc/61/04/41/584610441.db2.gz QADQPTLNIXCPQH-QWHCGFSZSA-N 2 0 239.407 1.448 20 0 BDADRP CC1(C)[C@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000902460879 584611419 /nfs/dbraw/zinc/61/14/19/584611419.db2.gz JWZKFFMZYWXNIO-BPKMXRTBSA-N 2 0 249.402 1.246 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]C[C@]12C[C@H]1COC21CCC1 ZINC000902461735 584611645 /nfs/dbraw/zinc/61/16/45/584611645.db2.gz QKNXHNAJPATXOQ-WUHRBBMRSA-N 2 0 236.359 1.415 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@]12C[C@H]1COC21CCC1 ZINC000902461733 584611728 /nfs/dbraw/zinc/61/17/28/584611728.db2.gz QKNXHNAJPATXOQ-QNWHQSFQSA-N 2 0 236.359 1.415 20 0 BDADRP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@@H]1CC1(C)C ZINC000902464785 584613137 /nfs/dbraw/zinc/61/31/37/584613137.db2.gz CPXVQSGEWPPYEL-LDMBFOFVSA-N 2 0 208.349 1.904 20 0 BDADRP CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@@H]1C[C@@H]1C ZINC000902465633 584614312 /nfs/dbraw/zinc/61/43/12/584614312.db2.gz HOCCHWYXSFGUBC-JQPUBBMISA-N 2 0 208.349 1.904 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC000902468297 584614542 /nfs/dbraw/zinc/61/45/42/584614542.db2.gz UNSAWAOVEYCICG-FVCCEPFGSA-N 2 0 237.391 1.247 20 0 BDADRP C[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@@H]1CCCOC1 ZINC000902466978 584614610 /nfs/dbraw/zinc/61/46/10/584614610.db2.gz JXWYRRHPYOPFKK-UJPOAAIJSA-N 2 0 224.348 1.284 20 0 BDADRP CC1(C)C[NH2+]CC[C@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC000902468298 584615037 /nfs/dbraw/zinc/61/50/37/584615037.db2.gz UNSAWAOVEYCICG-MROQNXINSA-N 2 0 237.391 1.247 20 0 BDADRP C1CC1[NH+]1CCC(N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC000902469240 584615677 /nfs/dbraw/zinc/61/56/77/584615677.db2.gz ZOZVEQGBIAJTIW-KWCYVHTRSA-N 2 0 235.375 1.096 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902469920 584616276 /nfs/dbraw/zinc/61/62/76/584616276.db2.gz SRKPSBJVYAAWNW-WRWGMCAJSA-N 2 0 212.337 1.020 20 0 BDADRP C[C@@H](CCCCO)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902469919 584616621 /nfs/dbraw/zinc/61/66/21/584616621.db2.gz SRKPSBJVYAAWNW-NNYUYHANSA-N 2 0 212.337 1.020 20 0 BDADRP C1C[C@@H]2C[C@@H](N[C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)CC[N@@H+]2C1 ZINC000902470846 584616751 /nfs/dbraw/zinc/61/67/51/584616751.db2.gz HRZQXTNTZMTROF-ODXJTPSBSA-N 2 0 235.375 1.096 20 0 BDADRP COCCC[C@@H](C)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902471224 584616798 /nfs/dbraw/zinc/61/67/98/584616798.db2.gz KJXKIPKLCJOAGC-WRWGMCAJSA-N 2 0 212.337 1.284 20 0 BDADRP CC[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)[C@@H]1CCOC1 ZINC000902489996 584617273 /nfs/dbraw/zinc/61/72/73/584617273.db2.gz QOQXMYWDQDJPIL-KKOKHZNYSA-N 2 0 212.337 1.128 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC[C@H](O)C1CC1 ZINC000902503721 584620576 /nfs/dbraw/zinc/62/05/76/584620576.db2.gz JSLPVVPNBRRFSH-WXHSDQCUSA-N 2 0 226.364 1.125 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H](O)C1CC1 ZINC000902502890 584620949 /nfs/dbraw/zinc/62/09/49/584620949.db2.gz HEIVZNXYAKKGEN-YNEHKIRRSA-N 2 0 226.364 1.255 20 0 BDADRP C[C@@H]1CC=CC[C@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000902504273 584621301 /nfs/dbraw/zinc/62/13/01/584621301.db2.gz NGEXVCZRZVAHNH-NKHBCJIASA-N 2 0 232.371 1.927 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC[C@@H](O)C2CC2)C1 ZINC000902505410 584621634 /nfs/dbraw/zinc/62/16/34/584621634.db2.gz RVXDUBYDNDJMJR-GRYCIOLGSA-N 2 0 212.337 1.007 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCC[NH2+]2)CCO1 ZINC000902481547 584623878 /nfs/dbraw/zinc/62/38/78/584623878.db2.gz DKYJQWQVHZRUEV-JHJVBQTASA-N 2 0 226.364 1.676 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H]1CCCCC[NH2+]1 ZINC000902481556 584623918 /nfs/dbraw/zinc/62/39/18/584623918.db2.gz DNLAGBIHEFVJJF-MGPQQGTHSA-N 2 0 239.407 1.496 20 0 BDADRP Cn1cc2c(n1)CCC[C@H]2[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902483754 584624789 /nfs/dbraw/zinc/62/47/89/584624789.db2.gz AWSQFSJCBXPBGU-CKYFFXLPSA-N 2 0 234.347 1.124 20 0 BDADRP COCC[C@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902486782 584625873 /nfs/dbraw/zinc/62/58/73/584625873.db2.gz RVCSUUSDGZCSHI-LPWJVIDDSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)[C@H]1CCCOC1 ZINC000902486564 584625899 /nfs/dbraw/zinc/62/58/99/584625899.db2.gz QUGZNGDTQYNUKP-WISYIIOYSA-N 2 0 212.337 1.128 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902486778 584625909 /nfs/dbraw/zinc/62/59/09/584625909.db2.gz RVCSUUSDGZCSHI-CYDGBPFRSA-N 2 0 226.364 1.519 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCOC1CCSCC1 ZINC000902521785 584631262 /nfs/dbraw/zinc/63/12/62/584631262.db2.gz USJKJJPRTMLUBK-VXGBXAGGSA-N 2 0 244.404 1.368 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCOC1CCSCC1 ZINC000902521783 584631486 /nfs/dbraw/zinc/63/14/86/584631486.db2.gz USJKJJPRTMLUBK-NWDGAFQWSA-N 2 0 244.404 1.368 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2O)C1 ZINC000902522473 584632177 /nfs/dbraw/zinc/63/21/77/584632177.db2.gz XOZJKJCYQPGZNS-CTHBEMJXSA-N 2 0 246.354 1.504 20 0 BDADRP C(CN1CCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903126914 584729871 /nfs/dbraw/zinc/72/98/71/584729871.db2.gz FLULYHQTHDNWNU-LQDVMPOASA-N 2 0 249.402 1.440 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000903185117 584733417 /nfs/dbraw/zinc/73/34/17/584733417.db2.gz HPENKQFQIGMGDM-BFHYXJOUSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1COC[C@H]1[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000903393341 584756419 /nfs/dbraw/zinc/75/64/19/584756419.db2.gz LILZTPGDSSNKKL-IJLUTSLNSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@@H]1COC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000903393342 584756465 /nfs/dbraw/zinc/75/64/65/584756465.db2.gz LILZTPGDSSNKKL-UTUOFQBUSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000903431202 584761412 /nfs/dbraw/zinc/76/14/12/584761412.db2.gz IKAZRKOTIFACPA-AGIUHOORSA-N 2 0 238.375 1.343 20 0 BDADRP Cc1noc(C)c1C[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903431515 584762377 /nfs/dbraw/zinc/76/23/77/584762377.db2.gz XUIZYWURVDYXEJ-NEPJUHHUSA-N 2 0 237.347 1.851 20 0 BDADRP C[C@@H]1C[C@@H](C)N(C[C@H]2CCC[NH2+]2)C[C@@H]1C[NH3+] ZINC000903459586 584765790 /nfs/dbraw/zinc/76/57/90/584765790.db2.gz LREFBHYGGPBBCC-FVCCEPFGSA-N 2 0 225.380 1.044 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCOCC2(CCC2)C1 ZINC000903459746 584766090 /nfs/dbraw/zinc/76/60/90/584766090.db2.gz YUBOQUPDPWBCHD-OLZOCXBDSA-N 2 0 238.375 1.344 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC2CCC1(C[NH3+])CC2 ZINC000903464058 584767184 /nfs/dbraw/zinc/76/71/84/584767184.db2.gz YCQVSCPFHDULFT-ZIHBUVQPSA-N 2 0 237.391 1.045 20 0 BDADRP C[C@H](CO)[C@H]1CCCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903464079 584767495 /nfs/dbraw/zinc/76/74/95/584767495.db2.gz YTUNUXHDOPTOQO-YIYPIFLZSA-N 2 0 240.391 1.325 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC(c3c[nH]cn3)CC2)C1 ZINC000903445103 584769715 /nfs/dbraw/zinc/76/97/15/584769715.db2.gz YDJFSNUUPZODNJ-WCQYABFASA-N 2 0 248.374 1.717 20 0 BDADRP C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903445972 584769846 /nfs/dbraw/zinc/76/98/46/584769846.db2.gz PGXKSVSZMXIGRN-ZBBUEOHVSA-N 3 0 237.391 1.329 20 0 BDADRP C([C@H]1CCC[NH2+]1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000903446476 584770205 /nfs/dbraw/zinc/77/02/05/584770205.db2.gz XDHKLVHGPIKKBG-MCIONIFRSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CNc1ccc(OCC[NH3+])cc1 ZINC000903447097 584770867 /nfs/dbraw/zinc/77/08/67/584770867.db2.gz DKZGEJWMWKRDAY-NEPJUHHUSA-N 2 0 249.358 1.292 20 0 BDADRP C[C@H](c1ncccn1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000903450343 584771837 /nfs/dbraw/zinc/77/18/37/584771837.db2.gz UGEJTQJGZOJRBF-VXGBXAGGSA-N 2 0 234.347 1.598 20 0 BDADRP C([C@H]1CCC[NH2+]1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000903453921 584773049 /nfs/dbraw/zinc/77/30/49/584773049.db2.gz PLBYSFZHUFRPEF-MELADBBJSA-N 2 0 237.391 1.060 20 0 BDADRP COCCCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903470150 584774598 /nfs/dbraw/zinc/77/45/98/584774598.db2.gz GTLJWRZAEQYCEQ-LLVKDONJSA-N 2 0 212.337 1.287 20 0 BDADRP COC[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)C(C)C ZINC000903470425 584775015 /nfs/dbraw/zinc/77/50/15/584775015.db2.gz BLWUGEBKONUVCG-OLZOCXBDSA-N 2 0 240.391 1.779 20 0 BDADRP C=C/C=C/CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903470996 584775470 /nfs/dbraw/zinc/77/54/70/584775470.db2.gz GDAMBFUJTIKWEP-PCAWENJQSA-N 2 0 206.333 1.993 20 0 BDADRP CC1(F)CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903476810 584777488 /nfs/dbraw/zinc/77/74/88/584777488.db2.gz KLLHXRYYHZACGG-MNOVXSKESA-N 2 0 214.328 1.938 20 0 BDADRP C(N[C@H]1CC[NH2+]C12CCCC2)[C@H]1CCC[NH2+]1 ZINC000903481798 584778095 /nfs/dbraw/zinc/77/80/95/584778095.db2.gz NBJDDIIKANUDJF-NEPJUHHUSA-N 2 0 223.364 1.003 20 0 BDADRP COC[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)C(C)C ZINC000903482587 584778534 /nfs/dbraw/zinc/77/85/34/584778534.db2.gz LVQKGBYORNJOGJ-QJPTWQEYSA-N 2 0 228.380 1.620 20 0 BDADRP C([NH2+][C@H]1CC[NH2+]C12CCCC2)[C@@H]1CCOC1 ZINC000903484452 584779259 /nfs/dbraw/zinc/77/92/59/584779259.db2.gz RMTCLUSGTWBVPM-RYUDHWBXSA-N 2 0 224.348 1.287 20 0 BDADRP OC[C@H]1CCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000903490915 584781028 /nfs/dbraw/zinc/78/10/28/584781028.db2.gz MPDYGIKQGWNSCH-CYBMUJFWSA-N 2 0 226.364 1.223 20 0 BDADRP C[NH2+]CCN(CCCC1CC[NH2+]CC1)C(C)C ZINC000903574236 584784107 /nfs/dbraw/zinc/78/41/07/584784107.db2.gz XHESIENNNWSIQT-UHFFFAOYSA-N 2 0 241.423 1.696 20 0 BDADRP CCC[NH+](CCC)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903716697 584791853 /nfs/dbraw/zinc/79/18/53/584791853.db2.gz BXVMRNPOBTXELZ-KBPBESRZSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903716537 584791862 /nfs/dbraw/zinc/79/18/62/584791862.db2.gz OKWDHEQLSKXZFQ-STQMWFEESA-N 3 0 239.407 1.435 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)[C@H]1C ZINC000903731614 584793001 /nfs/dbraw/zinc/79/30/01/584793001.db2.gz BVSZPPKKSLJLMW-RFGFWPKPSA-N 2 0 238.375 1.485 20 0 BDADRP CC[N@H+](CCCO)C[C@@H]1CCCC[NH2+]C1 ZINC000903732234 584793133 /nfs/dbraw/zinc/79/31/33/584793133.db2.gz DLRSMXYJFOZPCT-GFCCVEGCSA-N 2 0 214.353 1.080 20 0 BDADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C[C@H]1CCCC[NH2+]C1 ZINC000903745861 584794267 /nfs/dbraw/zinc/79/42/67/584794267.db2.gz APDVACPDJBTZFB-AVGNSLFASA-N 2 0 243.370 1.008 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](C)N1C[C@H]1CCCC[NH2+]C1 ZINC000903745780 584794426 /nfs/dbraw/zinc/79/44/26/584794426.db2.gz QWUABSSKLKOQGR-XQQFMLRXSA-N 2 0 225.380 1.058 20 0 BDADRP FCc1ccccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000903745892 584794437 /nfs/dbraw/zinc/79/44/37/584794437.db2.gz BKPFEYNIDCWYFQ-OKILXGFUSA-N 2 0 234.318 1.807 20 0 BDADRP [NH3+]CC[C@H]1CCCCN1C[C@@H]1CCCC[NH2+]C1 ZINC000903749904 584794537 /nfs/dbraw/zinc/79/45/37/584794537.db2.gz RWIYYNXHZFERBV-ZIAGYGMSSA-N 2 0 239.407 1.579 20 0 BDADRP CN(C[C@H]1CCCC[NH2+]C1)[C@@H](C[NH3+])C1CC1 ZINC000903750003 584794860 /nfs/dbraw/zinc/79/48/60/584794860.db2.gz UAGOEEYTJOASNN-AAEUAGOBSA-N 2 0 225.380 1.045 20 0 BDADRP CC(C)c1ccccc1C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000903752053 584795695 /nfs/dbraw/zinc/79/56/95/584795695.db2.gz PWFZDZYFULCMKA-ZDUSSCGKSA-N 2 0 236.359 1.561 20 0 BDADRP C[C@@H]1CCN(C[C@H]2CCCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000903760147 584797074 /nfs/dbraw/zinc/79/70/74/584797074.db2.gz VFIAIARRAQOUAE-HZSPNIEDSA-N 2 0 239.407 1.293 20 0 BDADRP C[C@@H]1CCN(C[C@@H]2CCCC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000903760148 584797154 /nfs/dbraw/zinc/79/71/54/584797154.db2.gz VFIAIARRAQOUAE-MCIONIFRSA-N 2 0 239.407 1.293 20 0 BDADRP C[C@@H]1CCN(C[C@@H]2CCCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000903760149 584797326 /nfs/dbraw/zinc/79/73/26/584797326.db2.gz VFIAIARRAQOUAE-MGPQQGTHSA-N 2 0 239.407 1.293 20 0 BDADRP C([C@H]1CCCC[NH2+]C1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000903761003 584797486 /nfs/dbraw/zinc/79/74/86/584797486.db2.gz MQSQTKVSRBBXSE-UONOGXRCSA-N 2 0 237.391 1.204 20 0 BDADRP C[C@@H](O)C[N@H+](C[C@@H]1CCCC[NH2+]C1)C1CC1 ZINC000903767192 584797823 /nfs/dbraw/zinc/79/78/23/584797823.db2.gz FFNNBRUJRLMCHR-VXGBXAGGSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CCN1C[C@H]1CCCC[NH2+]C1 ZINC000903769162 584798108 /nfs/dbraw/zinc/79/81/08/584798108.db2.gz YWVWVKKMZAEFTG-AGIUHOORSA-N 2 0 225.380 1.188 20 0 BDADRP C([C@H]1CCCC[NH2+]C1)[N@@H+]1CCC[C@@H]2OCC[C@@H]21 ZINC000903768774 584798203 /nfs/dbraw/zinc/79/82/03/584798203.db2.gz QMKDEAXLJAUIQU-IHRRRGAJSA-N 2 0 238.375 1.629 20 0 BDADRP [NH3+]C[C@]12CC[C@H]1CCCN2CCC[NH2+]C1CC1 ZINC000903804753 584803053 /nfs/dbraw/zinc/80/30/53/584803053.db2.gz JEGCBBUHRPTNIA-TZMCWYRMSA-N 2 0 237.391 1.332 20 0 BDADRP C[NH2+]CCCN1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903812187 584803579 /nfs/dbraw/zinc/80/35/79/584803579.db2.gz RRPPEEMHNHZUGE-CYBMUJFWSA-N 2 0 239.407 1.579 20 0 BDADRP C[C@]12C[N@H+](C[C@H]3CC[NH2+]C3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000903825709 584804295 /nfs/dbraw/zinc/80/42/95/584804295.db2.gz CUIKJJPYVSEFSO-SBJFKYEJSA-N 2 0 234.387 1.964 20 0 BDADRP C[NH2+]CCC[N@@H+]1CC[C@H](Cc2nccs2)C1 ZINC000903832986 584806378 /nfs/dbraw/zinc/80/63/78/584806378.db2.gz UVXHXNQWPVXLBA-LLVKDONJSA-N 2 0 239.388 1.617 20 0 BDADRP [NH3+]CCCCCCC[N@@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000903840492 584807042 /nfs/dbraw/zinc/80/70/42/584807042.db2.gz RILNTFGKSXCMIB-RYUDHWBXSA-N 2 0 232.343 1.300 20 0 BDADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCc1ccns1)C2 ZINC000903840724 584807150 /nfs/dbraw/zinc/80/71/50/584807150.db2.gz TZPKJIDEQPYVJP-DCAQKATOSA-N 2 0 237.372 1.497 20 0 BDADRP NC[C@@]12CC[C@@H]1CC[N@@H+]2CCCCCCC[NH3+] ZINC000903856640 584808509 /nfs/dbraw/zinc/80/85/09/584808509.db2.gz AWRVPLXTJXSQGR-KGLIPLIRSA-N 3 0 239.407 1.709 20 0 BDADRP CCc1noc(C)c1CN1CC[C@H]2CC[C@]21C[NH3+] ZINC000903855578 584808808 /nfs/dbraw/zinc/80/88/08/584808808.db2.gz NNMIWDFXJMHUAK-RISCZKNCSA-N 2 0 249.358 1.859 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@H]2CC[C@]21CN ZINC000903856573 584809104 /nfs/dbraw/zinc/80/91/04/584809104.db2.gz ADONPZXHGNCRAC-LOWDOPEQSA-N 2 0 224.348 1.225 20 0 BDADRP C([C@@H]1CCCC[NH2+]C1)N1CCC[C@]12CC[NH2+]C2 ZINC000903869641 584814524 /nfs/dbraw/zinc/81/45/24/584814524.db2.gz JGJNJXNYQWTAND-ZIAGYGMSSA-N 2 0 237.391 1.204 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903872733 584815289 /nfs/dbraw/zinc/81/52/89/584815289.db2.gz AYNBZVPKVQCFFW-RFLLOBDJSA-N 3 0 237.391 1.186 20 0 BDADRP CC[C@@H]1CN(C[C@H]([NH3+])CC(F)F)CC[C@@H]1[NH3+] ZINC000903873710 584815837 /nfs/dbraw/zinc/81/58/37/584815837.db2.gz LFBFBKOUGNVZBC-BBBLOLIVSA-N 2 0 235.322 1.028 20 0 BDADRP [NH3+][C@@H](CC(F)F)CN(C1CC1)C1CC[NH2+]CC1 ZINC000903874084 584815930 /nfs/dbraw/zinc/81/59/30/584815930.db2.gz RXNARNCLPJHPRT-VIFPVBQESA-N 2 0 247.333 1.185 20 0 BDADRP CC(C)[C@H]([NH3+])CCN(C)C[C@@H]([NH3+])CC(F)F ZINC000903873629 584815957 /nfs/dbraw/zinc/81/59/57/584815957.db2.gz JSPWIPZNUYIEPL-VHSXEESVSA-N 2 0 237.338 1.274 20 0 BDADRP C[C@@]1(CO)CCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903908669 584821533 /nfs/dbraw/zinc/82/15/33/584821533.db2.gz NJUHAVCQFXYKMT-GSPSYOTPSA-N 2 0 238.375 1.364 20 0 BDADRP C[N@H+](Cc1cccc2c1CC[NH2+]C2)C1CC(O)C1 ZINC000903912286 584822421 /nfs/dbraw/zinc/82/24/21/584822421.db2.gz CQGTWFMLGZGCAG-UHFFFAOYSA-N 2 0 246.354 1.287 20 0 BDADRP CC1(C)C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1O ZINC000903914034 584822552 /nfs/dbraw/zinc/82/25/52/584822552.db2.gz SUIVWGSDTBKEHE-PSEXLTFBSA-N 2 0 238.375 1.220 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918825 584822872 /nfs/dbraw/zinc/82/28/72/584822872.db2.gz IVSLMSVUIMXKMZ-WVMKXHBISA-N 3 0 237.391 1.247 20 0 BDADRP CC(C)([NH3+])CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000903939274 584823591 /nfs/dbraw/zinc/82/35/91/584823591.db2.gz FGFVBAYEYZUQFY-JHJVBQTASA-N 2 0 239.407 1.624 20 0 BDADRP CC[C@H](C)[NH2+]C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903925891 584823639 /nfs/dbraw/zinc/82/36/39/584823639.db2.gz ISYADHQOKFTSGL-CMPLNLGQSA-N 2 0 238.379 1.234 20 0 BDADRP C[C@@H]1C[C@H](C)N(C[C@H]([NH3+])CC(F)F)C[C@@H]1C[NH3+] ZINC000903930131 584824263 /nfs/dbraw/zinc/82/42/63/584824263.db2.gz STDPFMXGBSEGPI-VPOLOUISSA-N 2 0 249.349 1.274 20 0 BDADRP C([NH2+][C@@H]1CCCOCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903926590 584824609 /nfs/dbraw/zinc/82/46/09/584824609.db2.gz MUIUXSVQWMGIOP-CPIKKWJDSA-N 2 0 238.375 1.676 20 0 BDADRP C1=C[C@@H]([NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000903934071 584825382 /nfs/dbraw/zinc/82/53/82/584825382.db2.gz ZPJVQEPYRNJEKY-NEPJUHHUSA-N 2 0 247.346 1.011 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)O1 ZINC000903936034 584825718 /nfs/dbraw/zinc/82/57/18/584825718.db2.gz XHJZQUQHVCGBDN-JRBXHMHVSA-N 2 0 238.375 1.673 20 0 BDADRP [NH3+][C@@H](CC(F)F)CN1CCC2(C1)CC[NH2+]CC2 ZINC000903917982 584826821 /nfs/dbraw/zinc/82/68/21/584826821.db2.gz POCQDSBBTINSAL-JTQLQIEISA-N 3 0 247.333 1.044 20 0 BDADRP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000903918198 584827328 /nfs/dbraw/zinc/82/73/28/584827328.db2.gz UWKVBMGTUZNBAZ-IWNKAIHXSA-N 3 0 249.402 1.201 20 0 BDADRP CC(C)([NH3+])CC[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903939614 584828949 /nfs/dbraw/zinc/82/89/49/584828949.db2.gz KHRBFAHHLXGLNH-UHFFFAOYSA-N 3 0 247.386 1.549 20 0 BDADRP CCC1([NH3+])CC[NH+](CC2=CCCOC2)CC1 ZINC000903949020 584830225 /nfs/dbraw/zinc/83/02/25/584830225.db2.gz YHKLQTLLWABIIN-UHFFFAOYSA-N 2 0 224.348 1.536 20 0 BDADRP CC(C)C[C@H]([NH3+])CNCc1cc(N)cc[nH+]1 ZINC000903953344 584831360 /nfs/dbraw/zinc/83/13/60/584831360.db2.gz DCNGGQKROLYLTQ-NSHDSACASA-N 2 0 222.336 1.127 20 0 BDADRP FC1(F)CC[NH2+]C[C@H]1C[NH2+]CC1=CCCOC1 ZINC000903956059 584832025 /nfs/dbraw/zinc/83/20/25/584832025.db2.gz GKKCDMDHKGSDID-NSHDSACASA-N 2 0 246.301 1.168 20 0 BDADRP CC[NH+]1CCC([NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903973877 584832727 /nfs/dbraw/zinc/83/27/27/584832727.db2.gz HMQLNCIPTCOXEX-CHWSQXEVSA-N 3 0 239.407 1.306 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000903978248 584832852 /nfs/dbraw/zinc/83/28/52/584832852.db2.gz BXRYMSSZEPJSLM-XJFOESAGSA-N 3 0 239.407 1.210 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000903978851 584832995 /nfs/dbraw/zinc/83/29/95/584832995.db2.gz NGXHFSDPZLNEIY-FDYHWXHSSA-N 3 0 225.380 1.092 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)C1 ZINC000904297378 584860390 /nfs/dbraw/zinc/86/03/90/584860390.db2.gz KQNPVRIPXDJSMK-YIYPIFLZSA-N 3 0 237.391 1.188 20 0 BDADRP CN(C[C@@H]([NH3+])CCC(C)(C)C)C1CC[NH2+]CC1 ZINC000904299998 584860915 /nfs/dbraw/zinc/86/09/15/584860915.db2.gz TWVHYIZZSLMRAN-LBPRGKRZSA-N 2 0 241.423 1.824 20 0 BDADRP [NH3+]Cc1ccc(CN(C2CC2)[C@H]2CC[NH2+]C2)cc1 ZINC000904301675 584861238 /nfs/dbraw/zinc/86/12/38/584861238.db2.gz OJUFRWRAOUNTNF-HNNXBMFYSA-N 2 0 245.370 1.472 20 0 BDADRP [NH3+]Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000904300178 584861615 /nfs/dbraw/zinc/86/16/15/584861615.db2.gz XYORGWJFUOBPBA-CQSZACIVSA-N 3 0 233.359 1.316 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCN(C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC000904301061 584861625 /nfs/dbraw/zinc/86/16/25/584861625.db2.gz FRNRQQLIOJMRLR-AVGNSLFASA-N 3 0 241.423 1.809 20 0 BDADRP C[NH2+]C[C@@H]1CCCN1Cc1ccc(C[NH3+])cc1 ZINC000904302824 584862004 /nfs/dbraw/zinc/86/20/04/584862004.db2.gz ZEBHESCVFMKWAU-AWEZNQCLSA-N 3 0 233.359 1.329 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC000904302068 584862062 /nfs/dbraw/zinc/86/20/62/584862062.db2.gz UTIWNODWIWFPLO-FZMZJTMJSA-N 2 0 233.359 1.314 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@@H](c3ccccn3)C2)C1 ZINC000904337008 584863244 /nfs/dbraw/zinc/86/32/44/584863244.db2.gz MGDRRWCSOBJRIC-UPJWGTAASA-N 2 0 231.343 1.608 20 0 BDADRP CN(CC[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1)c1ccccc1 ZINC000904317926 584863942 /nfs/dbraw/zinc/86/39/42/584863942.db2.gz JXDILODIBPTAIS-OKILXGFUSA-N 2 0 247.386 1.792 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000904322569 584864381 /nfs/dbraw/zinc/86/43/81/584864381.db2.gz DEKZSFLLCSPWAS-IGQOVBAYSA-N 3 0 239.407 1.386 20 0 BDADRP C[C@H]1C[C@H]([N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)CCN1C ZINC000904323290 584864405 /nfs/dbraw/zinc/86/44/05/584864405.db2.gz NSQXFFVFGXJFPR-WUHRBBMRSA-N 2 0 225.380 1.138 20 0 BDADRP C[C@@]1(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)CCC[NH2+]C1 ZINC000904322022 584864631 /nfs/dbraw/zinc/86/46/31/584864631.db2.gz MSZDBQFPHQIJAV-BFHYXJOUSA-N 2 0 237.391 1.060 20 0 BDADRP C[C@@H](C[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1)c1nccs1 ZINC000904331249 584865797 /nfs/dbraw/zinc/86/57/97/584865797.db2.gz GUYXOKHMTFIUMY-GARJFASQSA-N 2 0 239.388 1.916 20 0 BDADRP C[C@H](C[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1)c1nccs1 ZINC000904331250 584866201 /nfs/dbraw/zinc/86/62/01/584866201.db2.gz GUYXOKHMTFIUMY-MXWKQRLJSA-N 2 0 239.388 1.916 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CN1CC[C@@](C)(C[NH3+])C1 ZINC000904334557 584866536 /nfs/dbraw/zinc/86/65/36/584866536.db2.gz ZBBQSWMXPOUMSF-OCCSQVGLSA-N 2 0 241.423 1.811 20 0 BDADRP CN(C)CC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CCCC1 ZINC000904335758 584866816 /nfs/dbraw/zinc/86/68/16/584866816.db2.gz BLIGXJMEDHUNEB-BETUJISGSA-N 2 0 239.407 1.530 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H](C2CC2)O1 ZINC000904342344 584867493 /nfs/dbraw/zinc/86/74/93/584867493.db2.gz DQYVGDGOYRRUQZ-VCDKRKBESA-N 2 0 224.348 1.223 20 0 BDADRP C[C@H](O)C[C@@H]1CCCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904340925 584867580 /nfs/dbraw/zinc/86/75/80/584867580.db2.gz NZWRNMBHRPGALK-RVMXOQNASA-N 2 0 226.364 1.349 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)C1 ZINC000904344972 584867885 /nfs/dbraw/zinc/86/78/85/584867885.db2.gz BZNZBLZPDRXRRG-NDBYEHHHSA-N 2 0 224.348 1.225 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC([C@H]3CCOC3)CC2)C1 ZINC000904345816 584868105 /nfs/dbraw/zinc/86/81/05/584868105.db2.gz JJMOTGGARQKEFU-FPMFFAJLSA-N 2 0 238.375 1.472 20 0 BDADRP CC1(C)C[N@H+](C[C@]2(C)CCC[NH2+]C2)C[C@@H]1O ZINC000904346512 584868555 /nfs/dbraw/zinc/86/85/55/584868555.db2.gz SHPQFLCEELKBDV-WCQYABFASA-N 2 0 226.364 1.079 20 0 BDADRP CC(C)(C)[C@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1O ZINC000904345272 584868579 /nfs/dbraw/zinc/86/85/79/584868579.db2.gz BXLGNHCSDRRPFW-RNJOBUHISA-N 2 0 240.391 1.453 20 0 BDADRP CC(C)[C@@H]([NH3+])CNC[C@@H]([NH3+])CCC(C)(C)C ZINC000904351473 584869293 /nfs/dbraw/zinc/86/92/93/584869293.db2.gz ZGECHFNBZBJDNQ-RYUDHWBXSA-N 2 0 229.412 1.713 20 0 BDADRP [NH3+]Cc1ccc(CN2CCC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000904351104 584869362 /nfs/dbraw/zinc/86/93/62/584869362.db2.gz UXSJCMMSTVZVAO-LSDHHAIUSA-N 2 0 245.370 1.329 20 0 BDADRP CN(C[C@H]([NH3+])CCC(C)(C)C)C1C[NH2+]C1 ZINC000904351469 584869621 /nfs/dbraw/zinc/86/96/21/584869621.db2.gz ZESSHZCDBXOVAE-SNVBAGLBSA-N 2 0 213.369 1.044 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CN[C@H]1CCC[NH2+]C1 ZINC000904354072 584870270 /nfs/dbraw/zinc/87/02/70/584870270.db2.gz VSSMANMNBUUSFR-RYUDHWBXSA-N 2 0 227.396 1.482 20 0 BDADRP CC1(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)CC[NH2+]CC1 ZINC000904354514 584870279 /nfs/dbraw/zinc/87/02/79/584870279.db2.gz AWHVTJSTCMYZTE-AWEZNQCLSA-N 3 0 239.407 1.355 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000904354159 584870347 /nfs/dbraw/zinc/87/03/47/584870347.db2.gz BQWGAUMCYFPITL-NEPJUHHUSA-N 3 0 213.369 1.093 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1NC[C@H]([NH3+])CCC(C)(C)C ZINC000904356354 584871359 /nfs/dbraw/zinc/87/13/59/584871359.db2.gz WIYVLAGHRIWJAP-JHJVBQTASA-N 2 0 241.423 1.728 20 0 BDADRP C[C@@H]1C[C@@H](NC[C@@H]([NH3+])CCC(C)(C)C)CC[NH2+]1 ZINC000904355577 584871361 /nfs/dbraw/zinc/87/13/61/584871361.db2.gz PGJOLVOVAWHGRS-AGIUHOORSA-N 2 0 241.423 1.870 20 0 BDADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904355478 584871402 /nfs/dbraw/zinc/87/14/02/584871402.db2.gz ODQFXRSJFKURAQ-SMDDNHRTSA-N 3 0 233.359 1.233 20 0 BDADRP C[C@]1(CNCCC[NH2+]C2CC2)CCC[NH2+]C1 ZINC000904357713 584872135 /nfs/dbraw/zinc/87/21/35/584872135.db2.gz ANISPYPCOYGPRL-ZDUSSCGKSA-N 2 0 225.380 1.108 20 0 BDADRP [NH3+]CC1CC([NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)C1 ZINC000904360829 584872168 /nfs/dbraw/zinc/87/21/68/584872168.db2.gz PGEKFMMURBNBLM-FQLQODGNSA-N 2 0 224.348 1.271 20 0 BDADRP CC[NH+](CC)CCC[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904367705 584872554 /nfs/dbraw/zinc/87/25/54/584872554.db2.gz HCEDSXRVJQVLGW-TXEJJXNPSA-N 3 0 213.369 1.045 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)C1 ZINC000904372095 584873057 /nfs/dbraw/zinc/87/30/57/584873057.db2.gz YMFCSVGSZCGGEZ-BEAPCOKYSA-N 2 0 246.354 1.532 20 0 BDADRP C[C@@H]1C[C@@H](C)[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1C[NH3+] ZINC000904373551 584873949 /nfs/dbraw/zinc/87/39/49/584873949.db2.gz SYNLNTRVAVDNEE-KVSVUVNWSA-N 3 0 225.380 1.029 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1NCc1ccc(C[NH3+])cc1 ZINC000904373412 584874062 /nfs/dbraw/zinc/87/40/62/584874062.db2.gz QDLTZCXDUFZWOD-FZMZJTMJSA-N 2 0 233.359 1.375 20 0 BDADRP Cc1ccc2[nH]c(C[NH2+]C[C@H]3C[C@@H]([NH3+])C3)nc2c1 ZINC000904364566 584874997 /nfs/dbraw/zinc/87/49/97/584874997.db2.gz MVPHOQVKORQYNK-PHIMTYICSA-N 2 0 244.342 1.698 20 0 BDADRP COC[C@@H](CC(C)(C)C)[NH2+]C1CC(C[NH3+])C1 ZINC000904375916 584875700 /nfs/dbraw/zinc/87/57/00/584875700.db2.gz KLBCBZXBXAAQNE-HTAVTVPLSA-N 2 0 228.380 1.765 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+]C1CC(C[NH3+])C1 ZINC000904375869 584875747 /nfs/dbraw/zinc/87/57/47/584875747.db2.gz INRROPOLZOCOCO-UHFFFAOYSA-N 3 0 233.359 1.233 20 0 BDADRP CCOC(=O)CC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C(C)C ZINC000904377759 584876254 /nfs/dbraw/zinc/87/62/54/584876254.db2.gz YEZBCLGEHWKJRO-TXEJJXNPSA-N 2 0 242.363 1.387 20 0 BDADRP CN(C[C@@H]([NH3+])CCC(C)(C)C)CC(C)(C)[NH3+] ZINC000904377692 584876262 /nfs/dbraw/zinc/87/62/62/584876262.db2.gz XFDUOFMGYMDIQT-NSHDSACASA-N 2 0 229.412 1.809 20 0 BDADRP [NH3+]Cc1ccc(CN2CC[C@@H](F)[C@H]([NH3+])C2)cc1 ZINC000904379004 584876822 /nfs/dbraw/zinc/87/68/22/584876822.db2.gz PJJNZQJNZCKZNG-CHWSQXEVSA-N 2 0 237.322 1.016 20 0 BDADRP Nc1ccc2c(c1)C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)CCO2 ZINC000904385994 584877885 /nfs/dbraw/zinc/87/78/85/584877885.db2.gz MFUBQZYHWLOPOH-GSJFWJNXSA-N 2 0 247.342 1.201 20 0 BDADRP [NH3+]Cc1ccc(CN[C@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC000904385279 584877977 /nfs/dbraw/zinc/87/79/77/584877977.db2.gz UPQBGIJYQPZWAJ-CABCVRRESA-N 3 0 245.370 1.520 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000904385694 584878084 /nfs/dbraw/zinc/87/80/84/584878084.db2.gz BTIUWVKLSAPSCT-MJBXVCDLSA-N 3 0 237.391 1.189 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cccc(O)c2)CC[C@H]1C[NH3+] ZINC000904410097 584879293 /nfs/dbraw/zinc/87/92/93/584879293.db2.gz AJUSPKUIMTYGGN-YPMHNXCESA-N 2 0 234.343 1.809 20 0 BDADRP C[C@H]1C[N@H+](Cc2cocn2)CC[C@H]1C[NH3+] ZINC000904411969 584879513 /nfs/dbraw/zinc/87/95/13/584879513.db2.gz YKDQRANDJBWHCO-UWVGGRQHSA-N 2 0 209.293 1.091 20 0 BDADRP Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)n1 ZINC000904421021 584882279 /nfs/dbraw/zinc/88/22/79/584882279.db2.gz LLWLWZUJIBSYSN-NWDGAFQWSA-N 2 0 247.342 1.137 20 0 BDADRP c1cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cs1 ZINC000904420998 584882370 /nfs/dbraw/zinc/88/23/70/584882370.db2.gz KVXFGUCVIOVBQX-NWDGAFQWSA-N 2 0 222.357 1.789 20 0 BDADRP CC[NH+](CC)CC(=O)N[C@@H](C[NH+](C)C)C(C)C ZINC000733166372 584944017 /nfs/dbraw/zinc/94/40/17/584944017.db2.gz HZTGNMWPWHNOAS-LBPRGKRZSA-N 2 0 243.395 1.031 20 0 BDADRP C[N@H+](C[C@@H]1CCCO1)CC1CC[NH+](C)CC1 ZINC000738311684 585042408 /nfs/dbraw/zinc/04/24/08/585042408.db2.gz IEJDPEBYPJMXHM-ZDUSSCGKSA-N 2 0 226.364 1.439 20 0 BDADRP Cc1ccccc1[C@H](O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000741783336 585118591 /nfs/dbraw/zinc/11/85/91/585118591.db2.gz ZOVGMTPETUYDGW-KCQAQPDRSA-N 2 0 246.354 1.180 20 0 BDADRP Cc1ccc([C@H](O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000743262286 585134624 /nfs/dbraw/zinc/13/46/24/585134624.db2.gz SUVLCVZUEHXTMO-SOUVJXGZSA-N 2 0 246.354 1.180 20 0 BDADRP C[NH+](C)[C@H]1CCCN(CC[NH+]2CCCC2)CC1 ZINC000759975169 585383510 /nfs/dbraw/zinc/38/35/10/585383510.db2.gz HKNRLUAOYLYDOD-AWEZNQCLSA-N 2 0 239.407 1.498 20 0 BDADRP C[NH+](C)[C@H]1CCC[N@H+](CCCCCCO)CC1 ZINC000759976921 585383708 /nfs/dbraw/zinc/38/37/08/585383708.db2.gz NANVBWDDFJPMRD-AWEZNQCLSA-N 2 0 242.407 1.955 20 0 BDADRP CN(CC[NH+]1CCCC1)C[C@H]1CCC[N@H+](C)C1 ZINC000760842729 585399196 /nfs/dbraw/zinc/39/91/96/585399196.db2.gz ACSCSYOCLUUVSG-AWEZNQCLSA-N 2 0 239.407 1.356 20 0 BDADRP CC[N@@H+]1C[C@@H](C)N(CC[NH+]2CCCC2)C[C@@H]1C ZINC000766254402 585499995 /nfs/dbraw/zinc/49/99/95/585499995.db2.gz QAAQCXOZTDBHST-UONOGXRCSA-N 2 0 239.407 1.497 20 0 BDADRP C[C@@H]1CCC[N@@H+]1CCN[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000766271875 585500167 /nfs/dbraw/zinc/50/01/67/585500167.db2.gz GTDXRIDGWBNNEH-MGPQQGTHSA-N 2 0 239.407 1.543 20 0 BDADRP C[C@@H]1CN(CC[NH+]2CCCC2)[C@@H](C)C[N@@H+]1C ZINC000768770510 585543116 /nfs/dbraw/zinc/54/31/16/585543116.db2.gz HNIMBBVEVZZZMV-OLZOCXBDSA-N 2 0 225.380 1.107 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CCOC2CCC2)[C@@H](C)C1 ZINC000777119720 585708808 /nfs/dbraw/zinc/70/88/08/585708808.db2.gz CQQROETWMFFOTO-JSGCOSHPSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H](CCO)[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000779342020 585751813 /nfs/dbraw/zinc/75/18/13/585751813.db2.gz QBSWFSFSVLHYCF-HZSPNIEDSA-N 2 0 242.407 1.715 20 0 BDADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CC[C@@H]2C)CC1 ZINC000783223975 585831151 /nfs/dbraw/zinc/83/11/51/585831151.db2.gz ORIGQXMQQLHLMB-UONOGXRCSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@H]1CC[C@@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000783221775 585831268 /nfs/dbraw/zinc/83/12/68/585831268.db2.gz HXJDAUXMYGLOHJ-KBPBESRZSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CC[C@H]1C)CN1CC[NH+](C)CC1 ZINC000783234878 585831682 /nfs/dbraw/zinc/83/16/82/585831682.db2.gz AATXCLXBZQGWFJ-MGPQQGTHSA-N 2 0 239.407 1.258 20 0 BDADRP C[C@@H]1CO[C@@H](C)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000788471067 585925288 /nfs/dbraw/zinc/92/52/88/585925288.db2.gz SSKLKAVAPQUZJZ-NEPJUHHUSA-N 2 0 226.364 1.437 20 0 BDADRP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CC(C)(C)O ZINC000795156062 586069699 /nfs/dbraw/zinc/06/96/99/586069699.db2.gz BGIBPNAZHJNSIU-LBPRGKRZSA-N 2 0 249.358 1.363 20 0 BDADRP CC(=O)OC[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000798181587 586138717 /nfs/dbraw/zinc/13/87/17/586138717.db2.gz MHWPZFNLRWSROB-LLVKDONJSA-N 2 0 242.363 1.400 20 0 BDADRP C[NH+]1CCC2(CCC[N@H+](CCF)C2)CC1 ZINC000799178368 586165631 /nfs/dbraw/zinc/16/56/31/586165631.db2.gz NTHZHRAMBXWCMA-UHFFFAOYSA-N 2 0 214.328 1.764 20 0 BDADRP Cn1cnc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000808410616 586471972 /nfs/dbraw/zinc/47/19/72/586471972.db2.gz LUKPAXJVSMKBOK-UHFFFAOYSA-N 2 0 248.374 1.384 20 0 BDADRP COCC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000815145563 586670202 /nfs/dbraw/zinc/67/02/02/586670202.db2.gz YRASEMYZGWLUPB-KGLIPLIRSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000817888753 586831824 /nfs/dbraw/zinc/83/18/24/586831824.db2.gz KCSRDXFTTFHNJD-OPQQBVKSSA-N 2 0 240.322 1.575 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000817888752 586832162 /nfs/dbraw/zinc/83/21/62/586832162.db2.gz KCSRDXFTTFHNJD-KWBADKCTSA-N 2 0 240.322 1.575 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@H]1COc2ccccc2C1 ZINC000817891889 586832706 /nfs/dbraw/zinc/83/27/06/586832706.db2.gz PFDXWGLHCQMDNS-YUTCNCBUSA-N 2 0 246.354 1.707 20 0 BDADRP CCc1cc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])[nH]n1 ZINC000817891567 586832966 /nfs/dbraw/zinc/83/29/66/586832966.db2.gz DFEWCEVRJBJPSO-SKDRFNHKSA-N 2 0 222.336 1.189 20 0 BDADRP Cc1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000817892208 586833372 /nfs/dbraw/zinc/83/33/72/586833372.db2.gz KHCJXEGVNGCJLB-RRFJBIMHSA-N 2 0 248.370 1.745 20 0 BDADRP C[C@H](O)c1ccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000817894156 586833873 /nfs/dbraw/zinc/83/38/73/586833873.db2.gz KFJUSPMIDRLKEO-TUKIKUTGSA-N 2 0 248.370 1.957 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC000817893852 586833898 /nfs/dbraw/zinc/83/38/98/586833898.db2.gz JDDFIRQQLXJZGU-RBSFLKMASA-N 2 0 248.370 1.970 20 0 BDADRP CS[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]2[NH3+])C1 ZINC000817897652 586834763 /nfs/dbraw/zinc/83/47/63/586834763.db2.gz URVMBPKVFIMSPP-ZDCRXTMVSA-N 2 0 214.378 1.740 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCc1ccc(Cl)nc1 ZINC000817902282 586836547 /nfs/dbraw/zinc/83/65/47/586836547.db2.gz MGWGVXCRMFCFIR-QWRGUYRKSA-N 2 0 239.750 1.747 20 0 BDADRP Cc1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@H]2C[NH3+])o1 ZINC000817913694 586839114 /nfs/dbraw/zinc/83/91/14/586839114.db2.gz QSNMHUUATSVCAZ-QJPTWQEYSA-N 2 0 238.331 1.338 20 0 BDADRP [NH3+]CC1CCC([NH2+]Cc2cccc(F)n2)CC1 ZINC000817918808 586840700 /nfs/dbraw/zinc/84/07/00/586840700.db2.gz YBBSDBDZQUMQJV-UHFFFAOYSA-N 2 0 237.322 1.828 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000817926924 586841784 /nfs/dbraw/zinc/84/17/84/586841784.db2.gz WTZQFJKOPBZGBH-GIPNMCIBSA-N 2 0 240.322 1.575 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000817961813 586852399 /nfs/dbraw/zinc/85/23/99/586852399.db2.gz CWEUICVUZDGGAY-BDAKNGLRSA-N 2 0 227.739 1.980 20 0 BDADRP C1CC1[C@@H]1CC[C@@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000817976768 586860999 /nfs/dbraw/zinc/86/09/99/586860999.db2.gz SXGZYGMOROEYJO-AVGNSLFASA-N 2 0 220.360 1.907 20 0 BDADRP CCCCOC(=O)CC[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000818341354 586887667 /nfs/dbraw/zinc/88/76/67/586887667.db2.gz ZKEQMMLAMPHKLX-VXGBXAGGSA-N 2 0 242.363 1.579 20 0 BDADRP CC(C)(CC[NH3+])NC(=O)c1cccc(C[NH3+])c1 ZINC000818613503 586906524 /nfs/dbraw/zinc/90/65/24/586906524.db2.gz RJULUNBQOBSYAY-UHFFFAOYSA-N 2 0 235.331 1.003 20 0 BDADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)C2CC2)C1 ZINC000819151913 586933657 /nfs/dbraw/zinc/93/36/57/586933657.db2.gz HSICJGYVBPFAKW-TZMCWYRMSA-N 2 0 240.391 1.325 20 0 BDADRP C[C@@H](O)C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000820803374 587072769 /nfs/dbraw/zinc/07/27/69/587072769.db2.gz OBIUWAFBAOGTAC-VXGBXAGGSA-N 2 0 236.359 1.780 20 0 BDADRP OCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000820806055 587073776 /nfs/dbraw/zinc/07/37/76/587073776.db2.gz ZEVCBMURYYCJEX-VGPLMAKISA-N 2 0 224.348 1.116 20 0 BDADRP CO[C@H]1CC[C@H]([N@H+](C)CCCn2ccnc2)C1 ZINC000821396747 587116388 /nfs/dbraw/zinc/11/63/88/587116388.db2.gz UVKHZHIPGREVRE-STQMWFEESA-N 2 0 237.347 1.773 20 0 BDADRP C[C@H]([NH2+]Cc1cnc(N(C)C)n1C)c1ccc[nH]1 ZINC000822464766 587169869 /nfs/dbraw/zinc/16/98/69/587169869.db2.gz TXBFMRPVHCHAPO-JTQLQIEISA-N 2 0 247.346 1.665 20 0 BDADRP C[C@@H]1C[C@H](NC(=O)c2cccc(C[NH3+])c2)CC[NH2+]1 ZINC000834673657 587763618 /nfs/dbraw/zinc/76/36/18/587763618.db2.gz TVBNOFYXGIFXCA-ZWNOBZJWSA-N 2 0 247.342 1.016 20 0 BDADRP C[C@@H](CCC[NH3+])NC(=O)CCCCCC[NH3+] ZINC000834813582 587767362 /nfs/dbraw/zinc/76/73/62/587767362.db2.gz QSWCQKUJKLZYCJ-NSHDSACASA-N 2 0 229.368 1.139 20 0 BDADRP [NH3+]Cc1cccc(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000834861521 587768711 /nfs/dbraw/zinc/76/87/11/587768711.db2.gz JDMCHPRZMSQVJY-DGCLKSJQSA-N 2 0 247.342 1.003 20 0 BDADRP [NH3+]CCC[N@@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000841007339 587934602 /nfs/dbraw/zinc/93/46/02/587934602.db2.gz PHILTCYFODETEY-GJZGRUSLSA-N 2 0 248.370 1.923 20 0 BDADRP CC[C@](C)(CC(=O)OC)[NH2+]C[C@H]([NH3+])CC(C)C ZINC000841011838 587935164 /nfs/dbraw/zinc/93/51/64/587935164.db2.gz OTLYVKLEBGJUPP-DGCLKSJQSA-N 2 0 244.379 1.681 20 0 BDADRP CC(C)(C)[NH2+]CCNCc1ccc(CC[NH3+])cc1 ZINC000841032993 587937366 /nfs/dbraw/zinc/93/73/66/587937366.db2.gz IFITUWIPXHLRQU-UHFFFAOYSA-N 2 0 249.402 1.666 20 0 BDADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)nc2)C1 ZINC000841083383 587945424 /nfs/dbraw/zinc/94/54/24/587945424.db2.gz BTUDMAGNRVQYKJ-GXSJLCMTSA-N 2 0 239.750 1.952 20 0 BDADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccc(Cl)nc2)C1 ZINC000841083389 587945594 /nfs/dbraw/zinc/94/55/94/587945594.db2.gz BTUDMAGNRVQYKJ-ONGXEEELSA-N 2 0 239.750 1.952 20 0 BDADRP C([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)[C@H]1CCCOC1 ZINC000841089273 587945667 /nfs/dbraw/zinc/94/56/67/587945667.db2.gz KPKRPTQIWAVILI-OLZOCXBDSA-N 2 0 238.375 1.677 20 0 BDADRP C[C@@H]1C[N@H+](CCCCCCC[NH3+])[C@H](C)CN1 ZINC000842473910 588029127 /nfs/dbraw/zinc/02/91/27/588029127.db2.gz RZFMULWJROFSMV-CHWSQXEVSA-N 2 0 227.396 1.578 20 0 BDADRP CCCCOC(=O)CCN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000842472731 588029200 /nfs/dbraw/zinc/02/92/00/588029200.db2.gz JNAFEODODAJXPZ-NEPJUHHUSA-N 2 0 240.347 1.014 20 0 BDADRP COC(=O)[C@H]1CCC[N@@H+]1CCCCCCC[NH3+] ZINC000842476011 588029937 /nfs/dbraw/zinc/02/99/37/588029937.db2.gz DKEPQYFNUIKSPF-GFCCVEGCSA-N 2 0 242.363 1.533 20 0 BDADRP C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1CCCCCCC[NH3+] ZINC000842476917 588029983 /nfs/dbraw/zinc/02/99/83/588029983.db2.gz XBTAFWUMHLZARX-UONOGXRCSA-N 2 0 241.423 1.920 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](Cc2ccc3c(c2)COC3)C1 ZINC000843048459 588075763 /nfs/dbraw/zinc/07/57/63/588075763.db2.gz XMHHYRUYJZTTQI-LBPRGKRZSA-N 2 0 232.327 1.497 20 0 BDADRP C[C@H]1C[NH2+]C[C@H](Nc2ccc(OCC[NH3+])cc2)C1 ZINC000843125850 588084658 /nfs/dbraw/zinc/08/46/58/588084658.db2.gz JKQZMBMMSMDISA-DGCLKSJQSA-N 2 0 249.358 1.434 20 0 BDADRP Nc1ncc(C[NH2+]CCCCCC[NH3+])s1 ZINC000843129959 588085505 /nfs/dbraw/zinc/08/55/05/588085505.db2.gz VMKZIPQTKDLRRU-UHFFFAOYSA-N 2 0 228.365 1.334 20 0 BDADRP c1cn2c(n1)[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)CC2 ZINC000843341090 588100903 /nfs/dbraw/zinc/10/09/03/588100903.db2.gz ZEIZKACYKIUGIK-WUHRBBMRSA-N 2 0 246.358 1.306 20 0 BDADRP C[C@@H]([NH2+]CCCCCC[NH3+])c1cnccc1N ZINC000843344263 588101411 /nfs/dbraw/zinc/10/14/11/588101411.db2.gz SLRLAJBKRGUFDX-LLVKDONJSA-N 2 0 236.363 1.664 20 0 BDADRP C[C@@H](Cc1cnccn1)[NH2+]CCCCCC[NH3+] ZINC000843342505 588101553 /nfs/dbraw/zinc/10/15/53/588101553.db2.gz RGEHVYANDKDSBT-LBPRGKRZSA-N 2 0 236.363 1.516 20 0 BDADRP C[C@H]1CCNC[C@H]1[NH2+]CCCCCC[NH3+] ZINC000843343708 588101631 /nfs/dbraw/zinc/10/16/31/588101631.db2.gz FSOPBGDOCSKRHH-NWDGAFQWSA-N 2 0 213.369 1.093 20 0 BDADRP CCCCOC(=O)CC[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000843347219 588101872 /nfs/dbraw/zinc/10/18/72/588101872.db2.gz GBWLYUBBNZPEAI-LBPRGKRZSA-N 2 0 242.363 1.391 20 0 BDADRP C[NH2+][C@H]1CCN(CCCCCCC[NH3+])C1 ZINC000843344656 588101897 /nfs/dbraw/zinc/10/18/97/588101897.db2.gz PHQHPDKPICFVAP-LBPRGKRZSA-N 2 0 213.369 1.189 20 0 BDADRP Cn1ccc(C[N@H+](C)C2CCC([NH3+])CC2)cc1=O ZINC000843354659 588103210 /nfs/dbraw/zinc/10/32/10/588103210.db2.gz AUGWOTZZMMHZEI-UHFFFAOYSA-N 2 0 249.358 1.087 20 0 BDADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCCCCCC[NH3+] ZINC000843362307 588104397 /nfs/dbraw/zinc/10/43/97/588104397.db2.gz CMDHCJPXVIAIHC-QWHCGFSZSA-N 3 0 227.396 1.565 20 0 BDADRP [NH3+]CCCCCCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000843387042 588105408 /nfs/dbraw/zinc/10/54/08/588105408.db2.gz OAJCNBXGBAPRDE-KBPBESRZSA-N 2 0 239.407 1.579 20 0 BDADRP CC[N@H+](CCc1ccccn1)C[C@H]1CC[NH2+]C1 ZINC000844221819 588174360 /nfs/dbraw/zinc/17/43/60/588174360.db2.gz MHTLNGREVRGLBJ-ZDUSSCGKSA-N 2 0 233.359 1.556 20 0 BDADRP c1n[nH]cc1C1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000844222013 588174394 /nfs/dbraw/zinc/17/43/94/588174394.db2.gz QHOXKRKYOAYMRJ-LLVKDONJSA-N 2 0 234.347 1.199 20 0 BDADRP CC[C@H]1C[C@H](C[NH2+]CCC2(C[NH3+])CC2)CCO1 ZINC000844904130 588218864 /nfs/dbraw/zinc/21/88/64/588218864.db2.gz ZTUXKCUWMHUPET-OLZOCXBDSA-N 2 0 240.391 1.910 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+]C[C@H]1CCCOC1 ZINC000844904465 588218914 /nfs/dbraw/zinc/21/89/14/588218914.db2.gz MZYZBYQCUUWOGS-CYBMUJFWSA-N 2 0 248.370 1.922 20 0 BDADRP Cc1cc(N(C)CC[NH+]2CCCCC2)nc(N)[nH+]1 ZINC000845757462 588243806 /nfs/dbraw/zinc/24/38/06/588243806.db2.gz DQSJAMGIFBJYSX-UHFFFAOYSA-N 2 0 249.362 1.289 20 0 BDADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC2(CCCC2)C1 ZINC000846218854 588259776 /nfs/dbraw/zinc/25/97/76/588259776.db2.gz YYJBZAZCJNAQTJ-LBPRGKRZSA-N 2 0 226.364 1.223 20 0 BDADRP C[C@@H]1C[N@H+](CCCCCC[NH3+])CC[C@@H]1[NH3+] ZINC000846217704 588260484 /nfs/dbraw/zinc/26/04/84/588260484.db2.gz MMLLYFWTFRKPJX-NEPJUHHUSA-N 2 0 213.369 1.175 20 0 BDADRP NC(=O)C1([NH2+]CCCCCC[NH3+])CCCCC1 ZINC000846219893 588260967 /nfs/dbraw/zinc/26/09/67/588260967.db2.gz BETJQJNIYBMJMK-UHFFFAOYSA-N 2 0 241.379 1.283 20 0 BDADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](C/C=C\Cl)CC1 ZINC000846220705 588261010 /nfs/dbraw/zinc/26/10/10/588261010.db2.gz NAJJCNZWDKUMHM-NMGRJQLBSA-N 2 0 244.766 1.567 20 0 BDADRP CC[N@H+](CCCCCC[NH3+])Cc1cnn(C)c1 ZINC000846220962 588261244 /nfs/dbraw/zinc/26/12/44/588261244.db2.gz FEVJVMFHBQUCOE-UHFFFAOYSA-N 2 0 238.379 1.761 20 0 BDADRP C[N@H+](CCC[NH3+])[C@@H]1C[C@@H]1c1ccccc1 ZINC000846222010 588261476 /nfs/dbraw/zinc/26/14/76/588261476.db2.gz KHCDUOHRJVKMOI-CHWSQXEVSA-N 2 0 204.317 1.823 20 0 BDADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCCCCCC[NH3+] ZINC000846706952 588283889 /nfs/dbraw/zinc/28/38/89/588283889.db2.gz BPGKIPRMXVCUQM-QWHCGFSZSA-N 3 0 227.396 1.707 20 0 BDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C1CCCC1 ZINC000106484077 588284193 /nfs/dbraw/zinc/28/41/93/588284193.db2.gz WUMGOEMRZMOIBT-GFCCVEGCSA-N 2 0 225.380 1.155 20 0 BDADRP [NH3+]CCc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000848714670 588408119 /nfs/dbraw/zinc/40/81/19/588408119.db2.gz GBLMFIXLKAYQEG-HUUCEWRRSA-N 3 0 247.386 1.547 20 0 BDADRP Cc1cccc([C@H](O)C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000848720494 588408356 /nfs/dbraw/zinc/40/83/56/588408356.db2.gz YRDHRYNJFLANJB-RBSFLKMASA-N 2 0 248.370 1.888 20 0 BDADRP Cc1ncc(CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)s1 ZINC000848719448 588408474 /nfs/dbraw/zinc/40/84/74/588408474.db2.gz FKWKNGFBFNIQQV-WDEREUQCSA-N 2 0 239.388 1.854 20 0 BDADRP CC[C@@H](C)NC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000848981010 588423792 /nfs/dbraw/zinc/42/37/92/588423792.db2.gz VCHSIAXICASTTD-GHMZBOCLSA-N 2 0 226.368 1.383 20 0 BDADRP CCCNC(=[NH2+])NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000848987008 588425924 /nfs/dbraw/zinc/42/59/24/588425924.db2.gz DOKVTPDBIKHSSY-RYUDHWBXSA-N 2 0 240.395 1.773 20 0 BDADRP [NH2+]=C(NC[C@H]1CC[N@@H+](C2CC2)C1)NC1CCC1 ZINC000848992627 588427867 /nfs/dbraw/zinc/42/78/67/588427867.db2.gz NSJQVHYHUCPUDE-SNVBAGLBSA-N 2 0 236.363 1.137 20 0 BDADRP C[C@H](CNC(=[NH2+])N(C)C1CC1)[NH+]1CCCCC1 ZINC000848995621 588428776 /nfs/dbraw/zinc/42/87/76/588428776.db2.gz WVLNOAKZFRPBND-LLVKDONJSA-N 2 0 238.379 1.479 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](CNC(=[NH2+])NC2CCC2)C1 ZINC000848996158 588429320 /nfs/dbraw/zinc/42/93/20/588429320.db2.gz IABCVJHQYJLBLH-LLVKDONJSA-N 2 0 238.379 1.383 20 0 BDADRP CC[N@H+](CCNC(=[NH2+])Nc1ccccn1)C(C)C ZINC000849000969 588430831 /nfs/dbraw/zinc/43/08/31/588430831.db2.gz JENZTKQEMXGLGC-UHFFFAOYSA-N 2 0 249.362 1.748 20 0 BDADRP CCCC[N@H+](C)CCNC(=[NH2+])N[C@H](C)CC ZINC000849005557 588432765 /nfs/dbraw/zinc/43/27/65/588432765.db2.gz JNDVZDFGKZSOGU-LLVKDONJSA-N 2 0 228.384 1.631 20 0 BDADRP Cc1ccc(CNC(=[NH2+])NCCN2CCC2)cc1 ZINC000849014608 588436353 /nfs/dbraw/zinc/43/63/53/588436353.db2.gz CCPBBMZEWFRKNB-UHFFFAOYSA-N 2 0 246.358 1.315 20 0 BDADRP CC(C)NC(=[NH2+])NCC[C@H](C)[NH+]1CCCCC1 ZINC000849018323 588437928 /nfs/dbraw/zinc/43/79/28/588437928.db2.gz JQEKVEZCKPDTOE-LBPRGKRZSA-N 2 0 240.395 1.773 20 0 BDADRP CC(C)CCNC(=[NH2+])NCC1([NH+](C)C)CCC1 ZINC000849020685 588438451 /nfs/dbraw/zinc/43/84/51/588438451.db2.gz WZWRHSFBFVMTQR-UHFFFAOYSA-N 2 0 240.395 1.631 20 0 BDADRP CCCCNC(=[NH2+])NCC1([NH+](C)C)CCC1 ZINC000849020541 588438525 /nfs/dbraw/zinc/43/85/25/588438525.db2.gz DRPIQNUCMHWXPI-UHFFFAOYSA-N 2 0 226.368 1.385 20 0 BDADRP CCNC(=[NH2+])NCC[N@@H+]1CCCC(C)(C)C1 ZINC000849023196 588439663 /nfs/dbraw/zinc/43/96/63/588439663.db2.gz WSNZLYUNZPWNFT-UHFFFAOYSA-N 2 0 226.368 1.242 20 0 BDADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=[NH2+])NC1CC1 ZINC000849024035 588439978 /nfs/dbraw/zinc/43/99/78/588439978.db2.gz OTMAKDYWGNDHJF-NSHDSACASA-N 2 0 238.379 1.383 20 0 BDADRP CC[C@@H](C)NC(=[NH2+])NC[C@H](C)C[NH+](C)C ZINC000849030007 588442481 /nfs/dbraw/zinc/44/24/81/588442481.db2.gz CLJOYGKJFYJLMF-VHSXEESVSA-N 2 0 214.357 1.097 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[C@@H](C)F ZINC000849033599 588443803 /nfs/dbraw/zinc/44/38/03/588443803.db2.gz RHCFKFGDTJMLKO-GHMZBOCLSA-N 2 0 244.358 1.333 20 0 BDADRP CC[C@H](C)NC(=[NH2+])NCC[C@H]1CCC[N@H+](C)C1 ZINC000849041072 588448010 /nfs/dbraw/zinc/44/80/10/588448010.db2.gz JLIWJDWEVOYIQO-NWDGAFQWSA-N 2 0 240.395 1.631 20 0 BDADRP CC[N@H+](CCCNC(N)=[NH2+])C1CCCCC1 ZINC000849046796 588450272 /nfs/dbraw/zinc/45/02/72/588450272.db2.gz LLTFATTZUHMBDS-UHFFFAOYSA-N 2 0 226.368 1.514 20 0 BDADRP CC(C)C[C@H](CNC1=[NH+]CCCCN1)[NH+](C)C ZINC000849214989 588462084 /nfs/dbraw/zinc/46/20/84/588462084.db2.gz HLTNMTRGMTWMAD-GFCCVEGCSA-N 2 0 240.395 1.292 20 0 BDADRP CCCC[N@H+](C)CCNC1=[NH+]CCCCN1 ZINC000849216003 588462303 /nfs/dbraw/zinc/46/23/03/588462303.db2.gz PCGATLJVEXEVOP-UHFFFAOYSA-N 2 0 226.368 1.047 20 0 BDADRP C[N@@H+]1CCC[C@H](CCNC2=[NH+]CCCCN2)C1 ZINC000849218059 588462573 /nfs/dbraw/zinc/46/25/73/588462573.db2.gz NOLKLHZGAMHFCU-GFCCVEGCSA-N 2 0 238.379 1.047 20 0 BDADRP Cc1nnc([C@H](C)[N@@H+]2CCC3(C2)CC[NH2+]CC3)[nH]1 ZINC000852746174 588699169 /nfs/dbraw/zinc/69/91/69/588699169.db2.gz FNRZUXQUISQKIT-JTQLQIEISA-N 2 0 249.362 1.250 20 0 BDADRP CCCCCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+]C ZINC000852921676 588713614 /nfs/dbraw/zinc/71/36/14/588713614.db2.gz QGOSVAVVCPSUSK-GFCCVEGCSA-N 2 0 243.395 1.223 20 0 BDADRP C[C@@H](CSC(C)(C)C)[NH2+]CCOCCC[NH3+] ZINC000863544833 589297677 /nfs/dbraw/zinc/29/76/77/589297677.db2.gz CCCOTLKDQUFBNE-NSHDSACASA-N 2 0 248.436 1.862 20 0 BDADRP [NH3+]CCCOCC[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000863547013 589298092 /nfs/dbraw/zinc/29/80/92/589298092.db2.gz NQXRTDTWDBLEGQ-RYUDHWBXSA-N 2 0 212.337 1.130 20 0 BDADRP C[C@@H](CC[NH+](C)C)N[C@H]1CC[NH2+]C12CCC2 ZINC000863643349 589306748 /nfs/dbraw/zinc/30/67/48/589306748.db2.gz LKAFMNZTVYDXGO-RYUDHWBXSA-N 2 0 225.380 1.201 20 0 BDADRP [NH2+]=C(NCCC1CC1)NCC[NH+]1CCCCC1 ZINC000864450149 589364376 /nfs/dbraw/zinc/36/43/76/589364376.db2.gz GGRMAVDQZWVSIS-UHFFFAOYSA-N 2 0 238.379 1.386 20 0 BDADRP C[NH+](C)C(C)(C)CNC(=[NH2+])NCCC1CC1 ZINC000864450888 589364714 /nfs/dbraw/zinc/36/47/14/589364714.db2.gz BADXSMDVHGBHKV-UHFFFAOYSA-N 2 0 226.368 1.241 20 0 BDADRP CC[N@@H+]1CC[C@H](CNC(=[NH2+])NCCC2CC2)C1 ZINC000864451257 589364889 /nfs/dbraw/zinc/36/48/89/589364889.db2.gz GQIUJWIOSSODOR-GFCCVEGCSA-N 2 0 238.379 1.242 20 0 BDADRP C[C@@H]1C[C@@H]1NC(=[NH2+])NCC[N@@H+]1CCCC[C@@H]1C ZINC000864451717 589365095 /nfs/dbraw/zinc/36/50/95/589365095.db2.gz DVJDWQLAWKBXGC-WOPDTQHZSA-N 2 0 238.379 1.383 20 0 BDADRP C[C@H]1C[C@@H]1NC(=[NH2+])NCC[NH+]1CCC(C)CC1 ZINC000864453895 589366034 /nfs/dbraw/zinc/36/60/34/589366034.db2.gz QZCYZKVYPYVOPX-RYUDHWBXSA-N 2 0 238.379 1.241 20 0 BDADRP C[C@H]1C[C@@H]1NC(=[NH2+])NCCC[NH2+]C(C)(C)C ZINC000864454595 589366513 /nfs/dbraw/zinc/36/65/13/589366513.db2.gz OYFJZWAAWPNYOS-UWVGGRQHSA-N 2 0 226.368 1.287 20 0 BDADRP C[C@H](CNC(=[NH2+])N[C@@H]1C[C@@H]1C)C[NH+]1CCCC1 ZINC000864454665 589366635 /nfs/dbraw/zinc/36/66/35/589366635.db2.gz RGYQNMUTSFAKJW-GRYCIOLGSA-N 2 0 238.379 1.241 20 0 BDADRP CC[C@H](C)[N@H+](C)CCNC(=[NH2+])NCCC1CC1 ZINC000864456514 589367194 /nfs/dbraw/zinc/36/71/94/589367194.db2.gz HWIVXKGGGXADCX-NSHDSACASA-N 2 0 240.395 1.631 20 0 BDADRP CC[NH+]1CCC(CNC(=[NH2+])N[C@H]2C[C@H]2C)CC1 ZINC000864457592 589367961 /nfs/dbraw/zinc/36/79/61/589367961.db2.gz SXFRRBLYVJEVFI-PWSUYJOCSA-N 2 0 238.379 1.241 20 0 BDADRP [NH3+]CCCCCCCn1ccnc1C[NH3+] ZINC000864619712 589383747 /nfs/dbraw/zinc/38/37/47/589383747.db2.gz IPRQSSPVDOKVMB-UHFFFAOYSA-N 2 0 210.325 1.251 20 0 BDADRP CC(C)(O)CN1CC[C@H]([NH2+]CC2(C)CC2)C1 ZINC000865659692 589454817 /nfs/dbraw/zinc/45/48/17/589454817.db2.gz MCOFGJRCBNOJND-NSHDSACASA-N 2 0 226.364 1.221 20 0 BDADRP C[NH+](C)CCC[NH2+][C@H](C1CCC1)[C@H]1CCCO1 ZINC000866214543 589480918 /nfs/dbraw/zinc/48/09/18/589480918.db2.gz PMZYARQPUHOXRT-ZIAGYGMSSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@](C[NH3+])([NH2+]C[C@H]1CCC(C)(C)CO1)C1CC1 ZINC000866661394 589508897 /nfs/dbraw/zinc/50/88/97/589508897.db2.gz OPOFHXXTVJGYDS-OCCSQVGLSA-N 2 0 240.391 1.909 20 0 BDADRP CC[NH+](CC)CCCN1CC[NH2+]CCC1(C)C ZINC000866697097 589512635 /nfs/dbraw/zinc/51/26/35/589512635.db2.gz FREXAQRMZRAROU-UHFFFAOYSA-N 2 0 241.423 1.792 20 0 BDADRP CC1(C)CCNCC[N@@H+]1CCCCCC[NH3+] ZINC000866697474 589512827 /nfs/dbraw/zinc/51/28/27/589512827.db2.gz QMELMJZZWGEGGN-UHFFFAOYSA-N 2 0 227.396 1.579 20 0 BDADRP CC1(C)C[C@H](O)C[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000866702612 589513353 /nfs/dbraw/zinc/51/33/53/589513353.db2.gz DAFFQPRMVUBZLR-STQMWFEESA-N 2 0 240.391 1.469 20 0 BDADRP CC1(C)[C@@H]([NH3+])c2ccccc2N1C[C@@H]1CC[NH2+]C1 ZINC000866701361 589513515 /nfs/dbraw/zinc/51/35/15/589513515.db2.gz OPFGMHWKTTVPBH-RISCZKNCSA-N 2 0 245.370 1.895 20 0 BDADRP CC1(C)C[C@H](O)C[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000866703972 589513573 /nfs/dbraw/zinc/51/35/73/589513573.db2.gz QTFBXOCBCRLYOE-NEPJUHHUSA-N 2 0 226.364 1.079 20 0 BDADRP CC1(C)[C@H]([NH3+])c2ccccc2N1C[C@@H]1CC[NH2+]C1 ZINC000866701359 589513878 /nfs/dbraw/zinc/51/38/78/589513878.db2.gz OPFGMHWKTTVPBH-BXUZGUMPSA-N 2 0 245.370 1.895 20 0 BDADRP C([C@H]1CC[NH2+]C1)[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000866704820 589514220 /nfs/dbraw/zinc/51/42/20/589514220.db2.gz YDSIRIUSPOGDQB-QJPTWQEYSA-N 2 0 226.389 1.281 20 0 BDADRP [NH3+]CCCCCCN1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866725304 589516407 /nfs/dbraw/zinc/51/64/07/589516407.db2.gz RWQXDGSBXRVNSL-QWHCGFSZSA-N 2 0 225.380 1.332 20 0 BDADRP C[C@@H](NC(=O)CCC(C)(C)[NH3+])C1CC[NH2+]CC1 ZINC000868004887 589543915 /nfs/dbraw/zinc/54/39/15/589543915.db2.gz CQFROWZZRAIEFE-SNVBAGLBSA-N 2 0 241.379 1.008 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC000870940226 589699281 /nfs/dbraw/zinc/69/92/81/589699281.db2.gz GZWPBZNOZKTGBT-HAQNSBGRSA-N 2 0 247.342 1.601 20 0 BDADRP [NH3+]CC1CC[NH+](C[C@H]2CC3(CCC3)CO2)CC1 ZINC000872142062 589882489 /nfs/dbraw/zinc/88/24/89/589882489.db2.gz IQGWSIGJGHPOJF-CYBMUJFWSA-N 2 0 238.375 1.616 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000872144444 589884529 /nfs/dbraw/zinc/88/45/29/589884529.db2.gz ZBOHKZGUIPWBBQ-YNEHKIRRSA-N 2 0 238.375 1.615 20 0 BDADRP CC(=O)C1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000872146758 589885456 /nfs/dbraw/zinc/88/54/56/589885456.db2.gz WTJXYHIUXHFHKK-LBPRGKRZSA-N 2 0 224.348 1.287 20 0 BDADRP CC(=O)C1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000872146136 589885487 /nfs/dbraw/zinc/88/54/87/589885487.db2.gz GNCKLBKDDULKPM-UHFFFAOYSA-N 2 0 238.375 1.677 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCC[C@H](CCC(=O)OC)C1 ZINC000872154243 589885838 /nfs/dbraw/zinc/88/58/38/589885838.db2.gz OWFNFUPLDMHTEG-GFCCVEGCSA-N 2 0 242.363 1.261 20 0 BDADRP C[C@@H](C[NH3+])N(C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873200477 589992895 /nfs/dbraw/zinc/99/28/95/589992895.db2.gz BBXNGWWHJQLDCH-VIFPVBQESA-N 2 0 239.388 1.173 20 0 BDADRP C[C@@H]1CCCN(Cc2cnc(N)cn2)[C@H]1CC[NH3+] ZINC000873213565 589996773 /nfs/dbraw/zinc/99/67/73/589996773.db2.gz HTDIMQYGWIQZHT-PWSUYJOCSA-N 2 0 249.362 1.008 20 0 BDADRP C1O[C@H]2[C@H]([NH2+][C@@H]3CCC[NH2+]CC3)[C@H]3C[C@@H]1[C@@H]2C3 ZINC000873217711 589998257 /nfs/dbraw/zinc/99/82/57/589998257.db2.gz QDLZMMFYZYBTFZ-BSCCGWMCSA-N 2 0 236.359 1.142 20 0 BDADRP CC(C)[C@H](C[NH3+])C[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873221034 589998944 /nfs/dbraw/zinc/99/89/44/589998944.db2.gz XZBJKNUGBYAABC-WCQYABFASA-N 3 0 227.396 1.195 20 0 BDADRP CC(C)([NH3+])CN1CC[C@H]2CSC[C@@H]2C1 ZINC000873221703 589999384 /nfs/dbraw/zinc/99/93/84/589999384.db2.gz NYDPGRZZRPDFFW-UWVGGRQHSA-N 2 0 214.378 1.409 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccnn1C ZINC000873223131 589999516 /nfs/dbraw/zinc/99/95/16/589999516.db2.gz KQJRCKVXKPUYFX-JTQLQIEISA-N 2 0 222.336 1.070 20 0 BDADRP C[C@@H]([NH2+]Cc1ccn(C)c1)C1CC[NH2+]CC1 ZINC000873220849 589999575 /nfs/dbraw/zinc/99/95/75/589999575.db2.gz VETUOECELVIGQW-LLVKDONJSA-N 2 0 221.348 1.503 20 0 BDADRP C([NH2+][C@]12CCC[C@@H]1[NH2+]CC2)[C@@H]1CCCOC1 ZINC000873229880 590002226 /nfs/dbraw/zinc/00/22/26/590002226.db2.gz IDIZLBXPSBHZGD-AVGNSLFASA-N 2 0 224.348 1.287 20 0 BDADRP c1cc(C[NH2+][C@H]2CCCCC23CC[NH2+]CC3)n[nH]1 ZINC000873232926 590002995 /nfs/dbraw/zinc/00/29/95/590002995.db2.gz RRELMGFMYQSVDB-ZDUSSCGKSA-N 2 0 248.374 1.812 20 0 BDADRP C([NH2+][C@]12CCC[C@@H]1[NH2+]CC2)[C@H]1CCSC1 ZINC000873232077 590003315 /nfs/dbraw/zinc/00/33/15/590003315.db2.gz UWTWNCWPXPSFRW-WOPDTQHZSA-N 2 0 226.389 1.614 20 0 BDADRP CC(C)[C@H](C[NH3+])C[N@H+](C)CCCCCC[NH3+] ZINC000873231593 590003527 /nfs/dbraw/zinc/00/35/27/590003527.db2.gz QOMUCGXVKPMLFC-CYBMUJFWSA-N 3 0 229.412 1.668 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CCSC1)[C@@H]1CCC[NH2+]1 ZINC000873235543 590003795 /nfs/dbraw/zinc/00/37/95/590003795.db2.gz OEPWEZRZIDGXDS-WOPDTQHZSA-N 2 0 228.405 1.860 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCC(C)(C)CN1 ZINC000873237889 590004665 /nfs/dbraw/zinc/00/46/65/590004665.db2.gz VGFLRORFNOOAOK-CHWSQXEVSA-N 2 0 241.423 1.872 20 0 BDADRP COC[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)C1CCCC1 ZINC000873248476 590006207 /nfs/dbraw/zinc/00/62/07/590006207.db2.gz BCBGVRRPWAWDHB-UHTWSYAYSA-N 2 0 226.364 1.519 20 0 BDADRP Fc1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000873242300 590006310 /nfs/dbraw/zinc/00/63/10/590006310.db2.gz OXAJOWLLCGHFBE-JHJVBQTASA-N 2 0 249.333 1.698 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccnc(F)c1 ZINC000873242704 590006833 /nfs/dbraw/zinc/00/68/33/590006833.db2.gz RHAOSMCDZNNYRY-MNOVXSKESA-N 2 0 223.295 1.438 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000873249864 590007262 /nfs/dbraw/zinc/00/72/62/590007262.db2.gz NEVDETIFTZAXLQ-QOBDMFJFSA-N 3 0 231.343 1.458 20 0 BDADRP Cc1nc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cs1 ZINC000873248896 590007339 /nfs/dbraw/zinc/00/73/39/590007339.db2.gz GMVHUSKZPQVOFO-UJNFCWOMSA-N 2 0 225.361 1.839 20 0 BDADRP COC1CCC([NH2+]C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000873250887 590008013 /nfs/dbraw/zinc/00/80/13/590008013.db2.gz JEZOHAMTTAUJQG-ZYANWLCNSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cccc(CO)c1 ZINC000873253078 590008772 /nfs/dbraw/zinc/00/87/72/590008772.db2.gz YWKXTAUMBUTKOW-VHRBIJSZSA-N 2 0 234.343 1.567 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000873254220 590009663 /nfs/dbraw/zinc/00/96/63/590009663.db2.gz NUTDJRLHINSUDI-NDBYEHHHSA-N 3 0 225.380 1.044 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CCc3ccccc3C2)C1 ZINC000873254749 590010456 /nfs/dbraw/zinc/01/04/56/590010456.db2.gz BTFBMSHLGQTCMA-GLQYFDAESA-N 2 0 230.355 1.871 20 0 BDADRP Cc1ncc([C@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)s1 ZINC000873255418 590010979 /nfs/dbraw/zinc/01/09/79/590010979.db2.gz GIXOJTVJPNHNBQ-HGNGGELXSA-N 2 0 225.361 1.839 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cccnc1 ZINC000873255405 590011119 /nfs/dbraw/zinc/01/11/19/590011119.db2.gz FZMKURNQJJIKKI-NHCYSSNCSA-N 2 0 205.305 1.470 20 0 BDADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CCc3ccccc3C2)C1 ZINC000873256646 590011362 /nfs/dbraw/zinc/01/13/62/590011362.db2.gz BTFBMSHLGQTCMA-CQDKDKBSSA-N 2 0 230.355 1.871 20 0 BDADRP OC1CCC([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000873261317 590013440 /nfs/dbraw/zinc/01/34/40/590013440.db2.gz NLTVATUZXZPGIV-PWHQIARISA-N 2 0 238.375 1.410 20 0 BDADRP C[C@@H]1CCNC[C@@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873261673 590014386 /nfs/dbraw/zinc/01/43/86/590014386.db2.gz QBXIYMFCFOCSGF-RGDJUOJXSA-N 2 0 237.391 1.105 20 0 BDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873263553 590014432 /nfs/dbraw/zinc/01/44/32/590014432.db2.gz JKZHJGSLVFLNPE-RGDJUOJXSA-N 2 0 237.391 1.057 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)c1cnccc1N)C1CC[NH2+]CC1 ZINC000873268940 590015415 /nfs/dbraw/zinc/01/54/15/590015415.db2.gz BDMPVJPBQGBFRP-MNOVXSKESA-N 2 0 248.374 1.533 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)C1CC[NH2+]CC1 ZINC000873268556 590015606 /nfs/dbraw/zinc/01/56/06/590015606.db2.gz XAIICRCUICEIGE-BZPMIXESSA-N 2 0 239.407 1.447 20 0 BDADRP C[C@H](Cc1cnccn1)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873269247 590015614 /nfs/dbraw/zinc/01/56/14/590015614.db2.gz DWLIBDSPRCWXPC-VXGBXAGGSA-N 2 0 248.374 1.385 20 0 BDADRP COCCC[C@H](C)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873268193 590015721 /nfs/dbraw/zinc/01/57/21/590015721.db2.gz UDHIAZOIUPQYKP-NWDGAFQWSA-N 2 0 228.380 1.779 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)[C@H]1CCCO1)C1CC[NH2+]CC1 ZINC000873269102 590015754 /nfs/dbraw/zinc/01/57/54/590015754.db2.gz LWKMFYRSOSEMJU-NTZNESFSSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@H]([NH2+][C@H]1CCOC[C@@H]1C)C1CC[NH2+]CC1 ZINC000873272401 590015923 /nfs/dbraw/zinc/01/59/23/590015923.db2.gz RSFOXFLACWGEJB-GVXVVHGQSA-N 2 0 226.364 1.389 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000873270929 590016152 /nfs/dbraw/zinc/01/61/52/590016152.db2.gz CNOHMTJGEGMPQF-UBHSHLNASA-N 3 0 239.407 1.495 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCCCC[C@H]1[NH3+])C1CC[NH2+]CC1 ZINC000873270675 590016269 /nfs/dbraw/zinc/01/62/69/590016269.db2.gz ZVTDNEHBOZBISJ-BNOWGMLFSA-N 3 0 239.407 1.624 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccn(C)n1 ZINC000873272052 590016510 /nfs/dbraw/zinc/01/65/10/590016510.db2.gz OEQZJXNQAHTCPU-WDEREUQCSA-N 2 0 236.363 1.459 20 0 BDADRP C[C@H]([NH2+][C@H]1CCCCC[C@@H]1[NH3+])C1CC[NH2+]CC1 ZINC000873273276 590016988 /nfs/dbraw/zinc/01/69/88/590016988.db2.gz ZVTDNEHBOZBISJ-UBHSHLNASA-N 3 0 239.407 1.624 20 0 BDADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)C1CC[NH2+]CC1 ZINC000873272822 590017107 /nfs/dbraw/zinc/01/71/07/590017107.db2.gz WSBIRQRPRJLIOZ-OBJOEFQTSA-N 3 0 239.407 1.495 20 0 BDADRP C[C@@H]([NH2+]C1([C@@H]2CCCCO2)CCC1)C1C[NH2+]C1 ZINC000873276001 590017472 /nfs/dbraw/zinc/01/74/72/590017472.db2.gz PRAVLRVPEFBFJR-YPMHNXCESA-N 2 0 238.375 1.676 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCC[C@@H]1CCOC1=O ZINC000873282253 590018333 /nfs/dbraw/zinc/01/83/33/590018333.db2.gz GODWUNFDTXEVNL-GARJFASQSA-N 2 0 228.336 1.045 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[C@H]3CCC[C@H]3O2)C1 ZINC000873281600 590018876 /nfs/dbraw/zinc/01/88/76/590018876.db2.gz MLOHZWJUMMRLLR-PEBLQZBPSA-N 2 0 238.375 1.804 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCC[C@H]2CCOC2=O)C1 ZINC000873283626 590019606 /nfs/dbraw/zinc/01/96/06/590019606.db2.gz YKYPPBXFFLCUBB-TUAOUCFPSA-N 2 0 240.347 1.189 20 0 BDADRP CCC[C@H](C)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291074 590022911 /nfs/dbraw/zinc/02/29/11/590022911.db2.gz UBHUKYZGDLZLLL-QWHCGFSZSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]([NH2+]C1CC(Nc2ccccc2)C1)C1C[NH2+]C1 ZINC000873295184 590024083 /nfs/dbraw/zinc/02/40/83/590024083.db2.gz BKZLSTLICRSSLJ-VCANKDNSSA-N 2 0 245.370 1.827 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000873296932 590025074 /nfs/dbraw/zinc/02/50/74/590025074.db2.gz NWLWCBSKEFUXJV-RBSFLKMASA-N 2 0 245.370 1.170 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](Cc2cccc(F)c2)C1 ZINC000020473630 590115745 /nfs/dbraw/zinc/11/57/45/590115745.db2.gz RCWSKJYCMLIVIN-NSHDSACASA-N 2 0 208.280 1.606 20 0 BDADRP CCCCCC[N@H+](C)CC(=O)N(CC)CC[NH3+] ZINC000877006945 590268432 /nfs/dbraw/zinc/26/84/32/590268432.db2.gz XECHDXNYPWOURN-UHFFFAOYSA-N 2 0 243.395 1.306 20 0 BDADRP [NH3+]CCCCCC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000877126879 590290119 /nfs/dbraw/zinc/29/01/19/590290119.db2.gz VDXLFCBMCBKALP-GFCCVEGCSA-N 2 0 241.379 1.235 20 0 BDADRP CC(C)([NH3+])C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877134232 590291184 /nfs/dbraw/zinc/29/11/84/590291184.db2.gz NPLXUOYSFAROLQ-WDEREUQCSA-N 2 0 233.315 1.177 20 0 BDADRP C[NH2+]C[C@@H](C)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877134100 590291226 /nfs/dbraw/zinc/29/12/26/590291226.db2.gz MRIWHVOMNWYKCB-JIMOISOXSA-N 2 0 247.342 1.295 20 0 BDADRP CC[NH+](CC)CC(=O)N(C)CCCCCC[NH3+] ZINC000877437911 590327892 /nfs/dbraw/zinc/32/78/92/590327892.db2.gz BHGYLMGIAQCWAP-UHFFFAOYSA-N 2 0 243.395 1.306 20 0 BDADRP CC[C@H](C)[C@H]([NH3+])C(=O)N(C)CCCCCC[NH3+] ZINC000877437968 590328237 /nfs/dbraw/zinc/32/82/37/590328237.db2.gz FFMJNGHHUUHRRV-RYUDHWBXSA-N 2 0 243.395 1.337 20 0 BDADRP Cc1ccncc1CCC[NH2+]Cc1ncc[nH]1 ZINC000877672611 590389054 /nfs/dbraw/zinc/38/90/54/590389054.db2.gz IOORFFYBBIXZRO-UHFFFAOYSA-N 2 0 230.315 1.836 20 0 BDADRP CO[C@H](C)C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000877684289 590392254 /nfs/dbraw/zinc/39/22/54/590392254.db2.gz KMYMHFWKZFIBKT-CYBMUJFWSA-N 2 0 240.391 1.829 20 0 BDADRP COCC(C)(C)C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000877740198 590407672 /nfs/dbraw/zinc/40/76/72/590407672.db2.gz IZNRYHIWUBCHTL-STQMWFEESA-N 2 0 240.391 1.685 20 0 BDADRP CSC[C@H](C)[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000127305847 590616942 /nfs/dbraw/zinc/61/69/42/590616942.db2.gz XLVXGWUHFDDXOW-AEJSXWLSSA-N 2 0 202.367 1.455 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](CCC3CC3)CC[C@@H]21 ZINC000879573756 590810195 /nfs/dbraw/zinc/81/01/95/590810195.db2.gz QWJXWJANJWPUAJ-OLZOCXBDSA-N 2 0 208.349 1.813 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](CCC3(O)CCC3)CC[C@@H]21 ZINC000879578007 590813447 /nfs/dbraw/zinc/81/34/47/590813447.db2.gz AEAJIKGZVMSZOL-OLZOCXBDSA-N 2 0 238.375 1.318 20 0 BDADRP C[C@@H](CO)C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880473248 591052943 /nfs/dbraw/zinc/05/29/43/591052943.db2.gz AKCUWSPEAIXKKQ-GFCCVEGCSA-N 2 0 226.364 1.175 20 0 BDADRP CCC[C@H](O)C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880474382 591053073 /nfs/dbraw/zinc/05/30/73/591053073.db2.gz HNSZPMOWDFRWGZ-ZDUSSCGKSA-N 2 0 240.391 1.708 20 0 BDADRP c1ccc2c(c1)C[C@@H](C[NH2+][C@@H]1CCC[NH2+]CC1)O2 ZINC000129157559 591260700 /nfs/dbraw/zinc/26/07/00/591260700.db2.gz QJCTYBRECIJYAD-KGLIPLIRSA-N 2 0 246.354 1.722 20 0 BDADRP Cc1ncc(C[NH2+]CC[C@@H]([NH3+])C(C)C)s1 ZINC000129237959 591270433 /nfs/dbraw/zinc/27/04/33/591270433.db2.gz UMAQYCHLFDGYGM-LLVKDONJSA-N 2 0 227.377 1.915 20 0 BDADRP CCN1CC[C@H]1C[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000883354092 591624726 /nfs/dbraw/zinc/62/47/26/591624726.db2.gz KOZOXNPXFWJGDI-IHRRRGAJSA-N 2 0 239.407 1.401 20 0 BDADRP C[NH2+]C[C@H]1CCCCN1CCCCCC[NH3+] ZINC000883450548 591670912 /nfs/dbraw/zinc/67/09/12/591670912.db2.gz PTXNBFSZQSMZJH-CYBMUJFWSA-N 2 0 227.396 1.579 20 0 BDADRP CN(C[C@@H]1CC[NH2+]C1)C1(C[NH3+])CCCCC1 ZINC000883452854 591672704 /nfs/dbraw/zinc/67/27/04/591672704.db2.gz GBUANFWYGYAEEI-GFCCVEGCSA-N 2 0 225.380 1.189 20 0 BDADRP C(NC1CC[NH+](C2CC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000132163901 591690250 /nfs/dbraw/zinc/69/02/50/591690250.db2.gz XVBBPQXPFIYZSE-GFCCVEGCSA-N 2 0 237.391 1.202 20 0 BDADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000884267570 591888719 /nfs/dbraw/zinc/88/87/19/591888719.db2.gz ISXNHJKAILJFCJ-UTUOFQBUSA-N 2 0 241.379 1.007 20 0 BDADRP CCC[N@@H+]1CC[C@@H](Nc2ccnc(CC)n2)C1 ZINC000884558957 591979112 /nfs/dbraw/zinc/97/91/12/591979112.db2.gz IZQKPWOFRUQHFE-LLVKDONJSA-N 2 0 234.347 1.935 20 0 BDADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)C1 ZINC000886613724 592276145 /nfs/dbraw/zinc/27/61/45/592276145.db2.gz CPOJKDPJDOGNRE-UTUOFQBUSA-N 2 0 242.363 1.115 20 0 BDADRP C[N@H+](C[C@@H]1C[C@]12CCOC2)C1CCC([NH3+])CC1 ZINC000886830390 592352566 /nfs/dbraw/zinc/35/25/66/592352566.db2.gz QFBKWXLPOSZXPL-ABXWRUBCSA-N 2 0 238.375 1.615 20 0 BDADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@H]1C[C@@]12CCOC2 ZINC000886838549 592359121 /nfs/dbraw/zinc/35/91/21/592359121.db2.gz ZSYIKGDUPWBJKH-HZSPNIEDSA-N 2 0 238.375 1.616 20 0 BDADRP CCN(CCC1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC000886850709 592366822 /nfs/dbraw/zinc/36/68/22/592366822.db2.gz QAKTVSQZBWEXIY-ZDUSSCGKSA-N 2 0 225.380 1.060 20 0 BDADRP CCOCCC[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886872008 592377690 /nfs/dbraw/zinc/37/76/90/592377690.db2.gz HCZVLEPOAGTLDZ-CQSZACIVSA-N 2 0 240.391 1.879 20 0 BDADRP COCCC[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886873955 592377842 /nfs/dbraw/zinc/37/78/42/592377842.db2.gz CIWXNGBSQKRUSP-CYBMUJFWSA-N 2 0 226.364 1.489 20 0 BDADRP COCCCC[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886872397 592377918 /nfs/dbraw/zinc/37/79/18/592377918.db2.gz RKMADFJPMHIRLU-AWEZNQCLSA-N 2 0 240.391 1.879 20 0 BDADRP COC[C@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887132861 592449247 /nfs/dbraw/zinc/44/92/47/592449247.db2.gz OTEFBLZVQZEAIV-OLZOCXBDSA-N 2 0 249.358 1.627 20 0 BDADRP C[NH+](CCCF)CCC[N@H+](C)CCCF ZINC000887141148 592457415 /nfs/dbraw/zinc/45/74/15/592457415.db2.gz HSOACAWUWBUAPF-UHFFFAOYSA-N 2 0 222.323 1.959 20 0 BDADRP CC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])NCC1CC1 ZINC000887354074 592487074 /nfs/dbraw/zinc/48/70/74/592487074.db2.gz ONCFDYDKWIFABW-LBPRGKRZSA-N 2 0 238.379 1.385 20 0 BDADRP CCC[N@H+](CC)CCNC(=[NH2+])NCC(F)F ZINC000887354041 592487134 /nfs/dbraw/zinc/48/71/34/592487134.db2.gz NLPJFLVXPPBDST-UHFFFAOYSA-N 2 0 236.310 1.097 20 0 BDADRP C[C@H]1CC[N@H+](CCCCCCO)C[C@H]1C[NH3+] ZINC000300334356 592507455 /nfs/dbraw/zinc/50/74/55/592507455.db2.gz HZCTXNOLPAMVSO-QWHCGFSZSA-N 2 0 228.380 1.456 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@@H](O)CC(C)C)CC1 ZINC000222936082 592511133 /nfs/dbraw/zinc/51/11/33/592511133.db2.gz FTIXRRWKTOPEBW-AWEZNQCLSA-N 2 0 242.407 1.857 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000223212411 592522156 /nfs/dbraw/zinc/52/21/56/592522156.db2.gz FYNNBBDYPQHRAH-NEPJUHHUSA-N 2 0 212.337 1.226 20 0 BDADRP C(C[C@H]1CCCCO1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000223719481 592538782 /nfs/dbraw/zinc/53/87/82/592538782.db2.gz OSJCQVVNPUECAK-CHWSQXEVSA-N 2 0 226.364 1.677 20 0 BDADRP CCCCCC[C@@H](C)N(CC[NH3+])CC[NH3+] ZINC001246828281 988513836 /nfs/dbraw/zinc/51/38/36/988513836.db2.gz AUQLPMUOOSXPBY-GFCCVEGCSA-N 2 0 215.385 1.565 20 0 BDADRP C1[C@@H]2C[C@@H]([NH2+][C@@H]3CC[NH2+]C34CCC4)C[C@H]12 ZINC000925706634 634390970 /nfs/dbraw/zinc/39/09/70/634390970.db2.gz NWOZKCNOLHSERP-WRWGMCAJSA-N 2 0 206.333 1.659 20 0 BDADRP OC/C=C/C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925707081 634393481 /nfs/dbraw/zinc/39/34/81/634393481.db2.gz OMGIFKMUJHALBM-PUWCWTCHSA-N 2 0 238.375 1.293 20 0 BDADRP C[C@@H](N[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)[C@H](C)[NH3+] ZINC000925707537 634396658 /nfs/dbraw/zinc/39/66/58/634396658.db2.gz LBWPGZUJPSXJHQ-KNZXXDILSA-N 2 0 225.380 1.088 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925709664 634406828 /nfs/dbraw/zinc/40/68/28/634406828.db2.gz PIMYNDRRBJHHTO-NFMDPKQHSA-N 3 0 249.402 1.377 20 0 BDADRP [NH3+]CCCCCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925714178 634419926 /nfs/dbraw/zinc/41/99/26/634419926.db2.gz WJEJSTRKPSSMAN-NEPJUHHUSA-N 3 0 225.380 1.365 20 0 BDADRP OC[C@H]1CCCCC[N@@H+]1CCC[NH2+]C1CC1 ZINC000124777908 634433018 /nfs/dbraw/zinc/43/30/18/634433018.db2.gz BJUMLZLOGXTPAN-CYBMUJFWSA-N 2 0 226.364 1.365 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925716031 634445196 /nfs/dbraw/zinc/44/51/96/634445196.db2.gz OGIRRMSIYKWIBA-YNEHKIRRSA-N 2 0 241.423 1.855 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1N[C@@H](CCC[NH3+])c1ccccc1 ZINC000925719812 634456726 /nfs/dbraw/zinc/45/67/26/634456726.db2.gz UFDGXMBZTAZUNG-CFVMTHIKSA-N 2 0 247.386 1.807 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+]CCC[NH+](C)C ZINC000125734593 635148104 /nfs/dbraw/zinc/14/81/04/635148104.db2.gz MEBUYZDEDAOCKI-GHMZBOCLSA-N 2 0 200.326 1.095 20 0 BDADRP [NH3+]C1CC(C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)C1 ZINC000925729735 634550643 /nfs/dbraw/zinc/55/06/43/634550643.db2.gz LNGATNBCLPEERS-ALMXHQDSSA-N 2 0 238.375 1.519 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cc(N)ccn1 ZINC000925767875 635185176 /nfs/dbraw/zinc/18/51/76/635185176.db2.gz QUFHLRIZVYGDAD-JTQLQIEISA-N 2 0 222.336 1.271 20 0 BDADRP COc1ccccc1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000125563462 634554175 /nfs/dbraw/zinc/55/41/75/634554175.db2.gz BEXZDLBHQFFXNM-GFCCVEGCSA-N 2 0 234.343 1.866 20 0 BDADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](C[C@H]1CCCOC1)C2 ZINC000310114992 634574548 /nfs/dbraw/zinc/57/45/48/634574548.db2.gz GUOAIZZYZHCLAY-RDBSUJKOSA-N 2 0 238.375 1.474 20 0 BDADRP COC[C@@H]([NH2+]CCC(C)(C)[NH3+])C1CCCC1 ZINC000925738228 634595699 /nfs/dbraw/zinc/59/56/99/634595699.db2.gz OGCHRQWHFRNDNB-GFCCVEGCSA-N 2 0 228.380 1.909 20 0 BDADRP C[N@H+](CCCCCCO)C1CCC([NH3+])CC1 ZINC000226429217 635435094 /nfs/dbraw/zinc/43/50/94/635435094.db2.gz VZGJXBRKBLRDNP-UHFFFAOYSA-N 2 0 228.380 1.741 20 0 BDADRP CC(C)(C)[NH2+]CCN1CC[C@H](CC[NH3+])C1 ZINC000107805154 635488105 /nfs/dbraw/zinc/48/81/05/635488105.db2.gz QOCFLECRNZTEFB-NSHDSACASA-N 2 0 213.369 1.045 20 0 BDADRP C(N[C@@H]1CCC[NH2+]CC1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925840652 635505850 /nfs/dbraw/zinc/50/58/50/635505850.db2.gz NEQOZARMGZMRQS-MGPQQGTHSA-N 2 0 237.391 1.250 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCS[C@@H](C)C1 ZINC000925857779 635548927 /nfs/dbraw/zinc/54/89/27/635548927.db2.gz INZKTYFHNQECRX-NAKRPEOUSA-N 2 0 216.394 1.986 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2C[NH3+])CCS1 ZINC000925857097 635550405 /nfs/dbraw/zinc/55/04/05/635550405.db2.gz HDZGCYGCVGQMDQ-WRWGMCAJSA-N 2 0 228.405 1.988 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCCO1 ZINC000251447854 635550459 /nfs/dbraw/zinc/55/04/59/635550459.db2.gz BLMIOZZFVRKGHY-IRCOFANPSA-N 2 0 212.337 1.413 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCCC[NH2+]1 ZINC000925881196 635607428 /nfs/dbraw/zinc/60/74/28/635607428.db2.gz YZSJHPYWEARMRJ-RFGFWPKPSA-N 3 0 239.407 1.624 20 0 BDADRP CO[C@@H]1[C@@H](C)[C@@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C1(C)C ZINC000925882495 635610903 /nfs/dbraw/zinc/61/09/03/635610903.db2.gz NHQDHSOJQMVYPJ-OBPIAQAESA-N 2 0 240.391 1.763 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000925881676 635611136 /nfs/dbraw/zinc/61/11/36/635611136.db2.gz DKSPDDUKLKBKKF-RFQIPJPRSA-N 3 0 237.391 1.330 20 0 BDADRP CCc1onc(C)c1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000925888251 635614737 /nfs/dbraw/zinc/61/47/37/635614737.db2.gz ARRWYVUYYWIGNX-GHMZBOCLSA-N 2 0 237.347 1.905 20 0 BDADRP CCc1ccccc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090320189 631246421 /nfs/dbraw/zinc/24/64/21/631246421.db2.gz HFKLCAXQUCNCKX-GJZGRUSLSA-N 2 0 230.355 1.900 20 0 BDADRP CC[C@H]1CCN(C[C@H]([NH3+])CC(F)F)C1 ZINC000308469163 631354752 /nfs/dbraw/zinc/35/47/52/631354752.db2.gz IDBQEFIUGMKPSS-DTWKUNHWSA-N 2 0 206.280 1.701 20 0 BDADRP CC(C)[NH+]1CCC(Nc2cc[nH+]cc2CO)CC1 ZINC000891570910 631394083 /nfs/dbraw/zinc/39/40/83/631394083.db2.gz HBEIUGVGPCGKAN-UHFFFAOYSA-N 2 0 249.358 1.281 20 0 BDADRP CCSCC[NH2+]CCN1CCC[C@@H]1C ZINC000308594138 631436402 /nfs/dbraw/zinc/43/64/02/631436402.db2.gz LPXILRPLEIGOQT-NSHDSACASA-N 2 0 216.394 1.813 20 0 BDADRP Cn1cncc1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000085869318 631464119 /nfs/dbraw/zinc/46/41/19/631464119.db2.gz IXLZXHOLKMMREP-UHFFFAOYSA-N 2 0 222.336 1.122 20 0 BDADRP C[C@H]1COC[C@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000926309796 631584048 /nfs/dbraw/zinc/58/40/48/631584048.db2.gz RVZDXWJXXXWEGT-SMDDNHRTSA-N 2 0 238.375 1.485 20 0 BDADRP C[C@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CCCO1 ZINC000251820639 631715328 /nfs/dbraw/zinc/71/53/28/631715328.db2.gz OYGYTWWCMINTHW-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCSC[C@@H]1C ZINC000934297552 631762599 /nfs/dbraw/zinc/76/25/99/631762599.db2.gz HRJWCXBBSVNOKE-NWDGAFQWSA-N 2 0 246.420 1.126 20 0 BDADRP C[N@H+](C[C@H](O)C[NH+]1CCCC1)CC(C)(C)C ZINC000309056609 631832200 /nfs/dbraw/zinc/83/22/00/631832200.db2.gz PURBFGXJFOPDGH-LBPRGKRZSA-N 2 0 228.380 1.421 20 0 BDADRP CCC(CC)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000308846256 631911834 /nfs/dbraw/zinc/91/18/34/631911834.db2.gz LLHBUXQOHSLSHN-QWHCGFSZSA-N 2 0 210.365 1.964 20 0 BDADRP CCC[NH2+]CC[NH2+][C@H](C)[C@H]1CCOC1 ZINC000158653054 631923813 /nfs/dbraw/zinc/92/38/13/631923813.db2.gz XXYLDFXVIVXDLV-MNOVXSKESA-N 2 0 200.326 1.001 20 0 BDADRP C[C@@H]([NH2+]CC[NH2+]C(C)(C)C)C1CCOCC1 ZINC000235200357 631999114 /nfs/dbraw/zinc/99/91/14/631999114.db2.gz OUPVIQVNMZYKEL-LLVKDONJSA-N 2 0 228.380 1.779 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC(C)(C)C ZINC000052041386 632051453 /nfs/dbraw/zinc/05/14/53/632051453.db2.gz UCESIQFEVFEUHP-SNVBAGLBSA-N 2 0 226.368 1.383 20 0 BDADRP C[NH+](C)CC(C)(C)CNC(=[NH2+])NC(C)(C)C ZINC000052040973 632051773 /nfs/dbraw/zinc/05/17/73/632051773.db2.gz IFVMGQKEEZSIIY-UHFFFAOYSA-N 2 0 228.384 1.487 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)C ZINC000052041387 632052402 /nfs/dbraw/zinc/05/24/02/632052402.db2.gz DQHSUZJNPGZDHZ-LLVKDONJSA-N 2 0 226.368 1.241 20 0 BDADRP CC(C)(C)NC(=[NH2+])NCC[NH+]1CCCCCC1 ZINC000052043203 632054255 /nfs/dbraw/zinc/05/42/55/632054255.db2.gz PMTUSTWGLQWFKT-UHFFFAOYSA-N 2 0 240.395 1.775 20 0 BDADRP C[C@@H]([NH2+]CCC(C)(C)[NH3+])c1ccncc1 ZINC000308922553 632450077 /nfs/dbraw/zinc/45/00/77/632450077.db2.gz ZLZCRKZLEUOUDY-SNVBAGLBSA-N 2 0 207.321 1.860 20 0 BDADRP [NH3+]CCCCCC[NH+]1CCC(CO)CC1 ZINC000308930931 632502191 /nfs/dbraw/zinc/50/21/91/632502191.db2.gz RHHNDLQBBPHDFG-UHFFFAOYSA-N 2 0 214.353 1.210 20 0 BDADRP CC[C@H]1COC[C@@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000926558589 632526092 /nfs/dbraw/zinc/52/60/92/632526092.db2.gz JMYVUQYYIAFKIH-JSGCOSHPSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1OC[C@H]([NH2+]CCCC[N@H+](C)C2CC2)[C@@H]1C ZINC000926559053 632531614 /nfs/dbraw/zinc/53/16/14/632531614.db2.gz LSFHVVUYDZESQS-DYEKYZERSA-N 2 0 240.391 1.874 20 0 BDADRP c1ccc(C[N@@H+]2CC[C@H](N[C@H]3CC[NH2+]C3)C2)cc1 ZINC000250644001 632543257 /nfs/dbraw/zinc/54/32/57/632543257.db2.gz IDHKQPPDNXBEFW-GJZGRUSLSA-N 2 0 245.370 1.212 20 0 BDADRP CC(C)[C@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000251377447 632546920 /nfs/dbraw/zinc/54/69/20/632546920.db2.gz GZYFNWQUVTYFCN-OLZOCXBDSA-N 2 0 210.365 1.964 20 0 BDADRP CC[C@H](C)C[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000309056712 632632028 /nfs/dbraw/zinc/63/20/28/632632028.db2.gz ZMYCQXJMJYRZQZ-QWHCGFSZSA-N 2 0 228.380 1.421 20 0 BDADRP CCN1CCC[C@@H]1C[NH2+][C@H](C)COC(C)=O ZINC000892414254 632655910 /nfs/dbraw/zinc/65/59/10/632655910.db2.gz QZHDGZWONRYVQU-ZYHUDNBSSA-N 2 0 228.336 1.012 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1ccncc1 ZINC000089144655 632658297 /nfs/dbraw/zinc/65/82/97/632658297.db2.gz KJNIISBKSSUVTB-UONOGXRCSA-N 2 0 233.359 1.731 20 0 BDADRP C[C@H](C[NH2+][C@H](C)C[C@H]1CCOC1)C[NH+](C)C ZINC000309746009 632664761 /nfs/dbraw/zinc/66/47/61/632664761.db2.gz JDOGKEOYIYTMEH-JHJVBQTASA-N 2 0 228.380 1.589 20 0 BDADRP C[C@@H](O)[C@@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000309978967 632688451 /nfs/dbraw/zinc/68/84/51/632688451.db2.gz VIEBZKSPQHSMDE-GHMZBOCLSA-N 2 0 228.380 1.608 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H](CO)C2)CC1 ZINC000310394909 632734343 /nfs/dbraw/zinc/73/43/43/632734343.db2.gz HFRDZEHXOZLDNK-UONOGXRCSA-N 2 0 240.391 1.469 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)CC1(C)C ZINC000310568868 632759759 /nfs/dbraw/zinc/75/97/59/632759759.db2.gz YPMIOJNIOIIISP-QWHCGFSZSA-N 2 0 242.407 1.808 20 0 BDADRP CCCNC(=[NH2+])NCC(C)(C)C[NH+](C)C ZINC000052040967 632780024 /nfs/dbraw/zinc/78/00/24/632780024.db2.gz ICMZYDDGFQXHCI-UHFFFAOYSA-N 2 0 214.357 1.098 20 0 BDADRP CCCNC(=[NH2+])NCCC[NH+](CC)CC ZINC000052041266 632780694 /nfs/dbraw/zinc/78/06/94/632780694.db2.gz RRMITDRZPDLGOA-UHFFFAOYSA-N 2 0 214.357 1.242 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCC1(C)C ZINC000309229230 632827129 /nfs/dbraw/zinc/82/71/29/632827129.db2.gz IBYQUBVXWTWURI-NEPJUHHUSA-N 2 0 228.380 1.466 20 0 BDADRP CNC(=[NH2+])NC[C@H](CC(C)C)[NH+]1CCCC1 ZINC000066245085 632859695 /nfs/dbraw/zinc/85/96/95/632859695.db2.gz XAQSPDZKRKKGHT-NSHDSACASA-N 2 0 226.368 1.031 20 0 BDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])NC ZINC000066245825 632861385 /nfs/dbraw/zinc/86/13/85/632861385.db2.gz FMOHQHWRRCOLCE-NSHDSACASA-N 2 0 226.368 1.175 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCCCCCO ZINC000236176459 632892182 /nfs/dbraw/zinc/89/21/82/632892182.db2.gz PQKWESGDHDSOGZ-RYUDHWBXSA-N 2 0 214.353 1.256 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCCOC(C)(C)C1 ZINC000309378244 632992905 /nfs/dbraw/zinc/99/29/05/632992905.db2.gz CYYHWHMGELUSHD-NEPJUHHUSA-N 2 0 226.364 1.343 20 0 BDADRP CC(=O)OC[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000892622535 633019592 /nfs/dbraw/zinc/01/95/92/633019592.db2.gz QWCJRXGKZXEJRK-NWDGAFQWSA-N 2 0 242.363 1.260 20 0 BDADRP CC(C)CC[NH+]1CCC([NH2+]CC[C@H](C)O)CC1 ZINC000925069124 635888908 /nfs/dbraw/zinc/88/89/08/635888908.db2.gz FSYWUMXSSIRQRU-ZDUSSCGKSA-N 2 0 242.407 1.857 20 0 BDADRP CC[NH+](CC)[C@@H]1CCN(CC[NH2+]C(C)(C)C)C1 ZINC000062967722 633161524 /nfs/dbraw/zinc/16/15/24/633161524.db2.gz DUNMSBALQRXJOV-CYBMUJFWSA-N 2 0 241.423 1.791 20 0 BDADRP CCN1CC[C@H]([NH2+]CC2CC[NH+](C)CC2)C1 ZINC000328150576 633734032 /nfs/dbraw/zinc/73/40/32/633734032.db2.gz DHUGLIVHLOUBSL-ZDUSSCGKSA-N 2 0 225.380 1.012 20 0 BDADRP C([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)[C@H]1CCSC1 ZINC000328444630 633765277 /nfs/dbraw/zinc/76/52/77/633765277.db2.gz NRGUXHYWNBZYEW-HDLKOFKZSA-N 2 0 238.400 1.326 20 0 BDADRP C(CC1CC1)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328456800 633765864 /nfs/dbraw/zinc/76/58/64/633765864.db2.gz RRHQFOAVOUSYEJ-JZRPKSSGSA-N 2 0 206.333 1.373 20 0 BDADRP C[C@@H](NC(C[NH3+])C[NH3+])c1ccccc1Cl ZINC000309414139 633914915 /nfs/dbraw/zinc/91/49/15/633914915.db2.gz IZBFZADZALNRAW-MRVPVSSYSA-N 2 0 227.739 1.277 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)CC1 ZINC000895442710 636145230 /nfs/dbraw/zinc/14/52/30/636145230.db2.gz KIIUVAXSUPZHNS-KBPBESRZSA-N 2 0 238.375 1.297 20 0 BDADRP C[N@H+](C[C@H](O)C[NH+]1CCCC1)CC1CCCC1 ZINC000309982838 634024396 /nfs/dbraw/zinc/02/43/96/634024396.db2.gz AEUNPZKNQITXHY-AWEZNQCLSA-N 2 0 240.391 1.565 20 0 BDADRP COC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000053195393 634033062 /nfs/dbraw/zinc/03/30/62/634033062.db2.gz KNYAGUOKWBGKBJ-MNOVXSKESA-N 2 0 212.337 1.095 20 0 BDADRP COC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000053195395 634033890 /nfs/dbraw/zinc/03/38/90/634033890.db2.gz KNYAGUOKWBGKBJ-GHMZBOCLSA-N 2 0 212.337 1.095 20 0 BDADRP C[C@H]([NH3+])[C@H](NC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000925563063 634045183 /nfs/dbraw/zinc/04/51/83/634045183.db2.gz AACJZCUQYCLISH-QEJZJMRPSA-N 2 0 247.386 1.759 20 0 BDADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CC[C@H]1C ZINC000309945014 634048738 /nfs/dbraw/zinc/04/87/38/634048738.db2.gz DAKISTURPQKUNL-UPJWGTAASA-N 2 0 228.380 1.731 20 0 BDADRP CCn1cc(C[NH2+]CC2=CC[N@H+](C)CC2)c(C)n1 ZINC000893301848 634113475 /nfs/dbraw/zinc/11/34/75/634113475.db2.gz ARSKWPWCNNUBQP-UHFFFAOYSA-N 2 0 248.374 1.563 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(O)CCC1 ZINC000925607796 634139609 /nfs/dbraw/zinc/13/96/09/634139609.db2.gz CYLDEMNNBXJJIO-ZYANWLCNSA-N 2 0 224.348 1.007 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000931041775 634196387 /nfs/dbraw/zinc/19/63/87/634196387.db2.gz LANOPAMDVNNESK-KBPBESRZSA-N 2 0 241.423 1.743 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000925645403 634199117 /nfs/dbraw/zinc/19/91/17/634199117.db2.gz QBRTUENIVDZUKP-UTUOFQBUSA-N 2 0 226.364 1.268 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CC2(CO)CCC2)C1 ZINC000925648331 634203816 /nfs/dbraw/zinc/20/38/16/634203816.db2.gz SWYVVLPEPVFJSZ-RYUDHWBXSA-N 2 0 240.391 1.645 20 0 BDADRP O[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925650349 634209519 /nfs/dbraw/zinc/20/95/19/634209519.db2.gz SZRHSAAIZMCBJO-YNEHKIRRSA-N 2 0 238.375 1.412 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925672057 634256661 /nfs/dbraw/zinc/25/66/61/634256661.db2.gz GPTAZZVEQOHWPY-RWMBFGLXSA-N 2 0 242.407 1.747 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925672059 634256959 /nfs/dbraw/zinc/25/69/59/634256959.db2.gz GPTAZZVEQOHWPY-XQQFMLRXSA-N 2 0 242.407 1.747 20 0 BDADRP C[C@H](CCO)CC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925680894 634279442 /nfs/dbraw/zinc/27/94/42/634279442.db2.gz RULATRVXRFOWIG-QWRGUYRKSA-N 2 0 214.353 1.125 20 0 BDADRP CC1(C)CCC[N@@H+]1CCN[C@@H]1CC[NH2+]C1(C)C ZINC000925684014 634290686 /nfs/dbraw/zinc/29/06/86/634290686.db2.gz CYSUFQWONDGZHW-GFCCVEGCSA-N 2 0 239.407 1.591 20 0 BDADRP C[N@H+](CCCC[NH2+][C@@H]1CC[NH2+]C1(C)C)C1CC1 ZINC000925686750 634298607 /nfs/dbraw/zinc/29/86/07/634298607.db2.gz YCHUZBOBAZGMRH-CYBMUJFWSA-N 3 0 239.407 1.591 20 0 BDADRP CC[NH2+]CCCN[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925689828 634308471 /nfs/dbraw/zinc/30/84/71/634308471.db2.gz IRYXEAGHNHUVOD-RYUDHWBXSA-N 2 0 227.396 1.482 20 0 BDADRP CC1(C)C[C@@H]([NH2+][C@H]2CCC[C@@H]2C[NH3+])C[C@@H]([NH3+])C1 ZINC000925690776 634313939 /nfs/dbraw/zinc/31/39/39/634313939.db2.gz HDXQCYJJLXPRBP-NDBYEHHHSA-N 3 0 239.407 1.609 20 0 BDADRP [NH3+][C@@H]1C[C@H](NCC2([NH3+])CCCCC2)C12CCC2 ZINC000925693236 634328324 /nfs/dbraw/zinc/32/83/24/634328324.db2.gz QLAWUXUIWPKWDL-NEPJUHHUSA-N 2 0 237.391 1.508 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000925694091 634333331 /nfs/dbraw/zinc/33/33/31/634333331.db2.gz QSCOTWSIHXDWAK-ZDEQEGDKSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@H]1[NH2+]CCC[C@@H]1NCc1ccc(CC[NH3+])cc1 ZINC000925694286 634338192 /nfs/dbraw/zinc/33/81/92/634338192.db2.gz RTSKZUVEYGIXJH-DOMZBBRYSA-N 2 0 247.386 1.418 20 0 BDADRP C[C@@H]([NH3+])[C@@H](NC1CC[NH2+]CC1)c1ccccc1 ZINC000925696035 634353122 /nfs/dbraw/zinc/35/31/22/634353122.db2.gz ZBLFFQNQEOLDAT-BXUZGUMPSA-N 2 0 233.359 1.417 20 0 BDADRP C([NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)[C@H]1CC[NH2+]C1 ZINC000925696748 634357834 /nfs/dbraw/zinc/35/78/34/634357834.db2.gz AOWPJDRJIWCSLJ-XDQVBPFNSA-N 2 0 238.375 1.391 20 0 BDADRP CC1(C)[C@@H](NCC2([NH3+])CCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925698543 634363809 /nfs/dbraw/zinc/36/38/09/634363809.db2.gz KMEKSWRCCLITGH-WOPDTQHZSA-N 2 0 237.391 1.234 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000925699268 634366214 /nfs/dbraw/zinc/36/62/14/634366214.db2.gz JUHMGQQUQIYGHW-SDDRHHMPSA-N 2 0 223.364 1.001 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H](NC[C@H]([NH3+])C2CC2)C1 ZINC000925699139 634366480 /nfs/dbraw/zinc/36/64/80/634366480.db2.gz NDACVBATHLYOQC-UTUOFQBUSA-N 2 0 225.380 1.219 20 0 BDADRP [NH3+]C1(C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)CCC1 ZINC000925699127 634366568 /nfs/dbraw/zinc/36/65/68/634366568.db2.gz NAADWHBGUPYEKU-YNEHKIRRSA-N 2 0 238.375 1.663 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925698970 634366904 /nfs/dbraw/zinc/36/69/04/634366904.db2.gz MCRPBNZCDZQQIW-VOAKCMCISA-N 2 0 239.407 1.480 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CC2=CC[NH2+]CC2)C1 ZINC000925700071 634368176 /nfs/dbraw/zinc/36/81/76/634368176.db2.gz REHGFKNEDWHCEW-STQMWFEESA-N 3 0 237.391 1.402 20 0 BDADRP C[C@@H]1NCCC[C@@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000925700330 634368278 /nfs/dbraw/zinc/36/82/78/634368278.db2.gz RURFPPLQABIQKQ-RYUDHWBXSA-N 2 0 225.380 1.106 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925701376 634374580 /nfs/dbraw/zinc/37/45/80/634374580.db2.gz YMESMUYICXQFAI-NDBYEHHHSA-N 2 0 239.407 1.480 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925701997 634376493 /nfs/dbraw/zinc/37/64/93/634376493.db2.gz JBVJLAWBVLSYLO-XQHKEYJVSA-N 3 0 237.391 1.186 20 0 BDADRP C[NH2+]CCC[N@H+](C)CCc1cccc(F)c1 ZINC000258839051 635212192 /nfs/dbraw/zinc/21/21/92/635212192.db2.gz WAOFRWGHQLLXAB-UHFFFAOYSA-N 2 0 224.323 1.910 20 0 BDADRP C(C[C@H]1CCCO1)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925773291 635226309 /nfs/dbraw/zinc/22/63/09/635226309.db2.gz CDVKBNWMNJKOIU-BSCCGWMCSA-N 2 0 236.359 1.142 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@]12CCCO2)C1C[NH2+]C1 ZINC000925775045 635241178 /nfs/dbraw/zinc/24/11/78/635241178.db2.gz ZCYBTZPGMCSSKW-UHTWSYAYSA-N 2 0 224.348 1.286 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c2nccn21 ZINC000925801582 635348656 /nfs/dbraw/zinc/34/86/56/635348656.db2.gz BLPXMPBCCBVOKP-LPWJVIDDSA-N 2 0 248.374 1.724 20 0 BDADRP CC1(C)CCC[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925810484 635365268 /nfs/dbraw/zinc/36/52/68/635365268.db2.gz OFJZRBVEYXMNTA-CYBMUJFWSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccncc1 ZINC000925814590 635379239 /nfs/dbraw/zinc/37/92/39/635379239.db2.gz KEAAKPPPGQNLEJ-GFCCVEGCSA-N 2 0 248.374 1.155 20 0 BDADRP CC[C@H]([NH2+]CCN1CCC([NH3+])CC1)[C@@H]1C[C@@H]1C ZINC000925817094 635387510 /nfs/dbraw/zinc/38/75/10/635387510.db2.gz MZFRXEXQBLEYGO-YUTCNCBUSA-N 2 0 239.407 1.434 20 0 BDADRP Cn1nc(C[NH2+]C2CCC([NH3+])CC2)cc1C1CC1 ZINC000925874885 635594617 /nfs/dbraw/zinc/59/46/17/635594617.db2.gz WILXUNYSWYLRDP-UHFFFAOYSA-N 2 0 248.374 1.657 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+][C@H]1c2ccccc2CC[C@H]1O ZINC000925891413 635618569 /nfs/dbraw/zinc/61/85/69/635618569.db2.gz VKPORXISTUYFCC-BVIHXZOGSA-N 2 0 248.370 1.750 20 0 BDADRP Cc1ncoc1CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000894173282 635739331 /nfs/dbraw/zinc/73/93/31/635739331.db2.gz MLARHJHQJHAWPE-LLVKDONJSA-N 2 0 235.331 1.557 20 0 BDADRP CO[C@@H]1CCC[N@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000299917461 635892889 /nfs/dbraw/zinc/89/28/89/635892889.db2.gz UJEBMIZBUIFVCS-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP C[NH+]1CCC(C[NH2+]CCc2ccco2)CC1 ZINC000054240686 636236177 /nfs/dbraw/zinc/23/61/77/636236177.db2.gz BVOCSBLKFHBWET-UHFFFAOYSA-N 2 0 222.332 1.754 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)C(C)(C)CO ZINC000925217385 636398533 /nfs/dbraw/zinc/39/85/33/636398533.db2.gz OLEMOZLQIJLYFX-XQQFMLRXSA-N 2 0 242.407 1.856 20 0 BDADRP CC(C)CNC(=[NH2+])NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000052042177 636670762 /nfs/dbraw/zinc/67/07/62/636670762.db2.gz MOBUMPMRIMQJCU-LLVKDONJSA-N 2 0 238.379 1.241 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CC1(O)CCCCC1 ZINC000084222865 636875038 /nfs/dbraw/zinc/87/50/38/636875038.db2.gz ORGNWCNXYKRQEF-VXGBXAGGSA-N 2 0 226.364 1.399 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CC1(O)CCCCC1 ZINC000084222870 636875939 /nfs/dbraw/zinc/87/59/39/636875939.db2.gz ORGNWCNXYKRQEF-NEPJUHHUSA-N 2 0 226.364 1.399 20 0 BDADRP Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)nc(N)[nH+]1 ZINC000322720655 636878741 /nfs/dbraw/zinc/87/87/41/636878741.db2.gz QRRRENMWTOMRJW-FGWVZKOKSA-N 2 0 247.346 1.404 20 0 BDADRP CC(C)[NH+](CCN[C@H]1CCC[C@H]1C[NH3+])C(C)C ZINC000089147029 636904773 /nfs/dbraw/zinc/90/47/73/636904773.db2.gz GCSAFBCNJNSLNH-KBPBESRZSA-N 2 0 241.423 1.822 20 0 BDADRP CC1(C)CCNCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000866699985 636932506 /nfs/dbraw/zinc/93/25/06/636932506.db2.gz YBMFLGGWBFAJAT-ZDUSSCGKSA-N 2 0 239.407 1.450 20 0 BDADRP C[C@@H](C[NH2+][C@@H](C)C(C)(C)CO)C[NH+]1CCCC1 ZINC000924718565 637033235 /nfs/dbraw/zinc/03/32/35/637033235.db2.gz ZKOVJQDABHEYLI-STQMWFEESA-N 2 0 242.407 1.715 20 0 BDADRP C[C@@H]([NH2+][C@H]1C[C@H](CO)C1)C1CC[NH+](C)CC1 ZINC000927150200 637058388 /nfs/dbraw/zinc/05/83/88/637058388.db2.gz KHZVAVWKQDPAGU-NQBHXWOUSA-N 2 0 226.364 1.077 20 0 BDADRP COCCCC[N@H+](C)C1CCC([NH3+])CC1 ZINC000158525128 637217970 /nfs/dbraw/zinc/21/79/70/637217970.db2.gz YEEBFOTZAZCCOX-UHFFFAOYSA-N 2 0 214.353 1.615 20 0 BDADRP C[N@H+](CCC1CC[NH2+]CC1)C[C@H]1CCCO1 ZINC000042464364 637264350 /nfs/dbraw/zinc/26/43/50/637264350.db2.gz UFTITITXLXGRFY-CYBMUJFWSA-N 2 0 226.364 1.487 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCn2cccn2)C1 ZINC000902362492 637298784 /nfs/dbraw/zinc/29/87/84/637298784.db2.gz XKFQVOWYXGJWKM-GFCCVEGCSA-N 2 0 236.363 1.251 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H](C)[C@@H]1CCO ZINC000903463630 637364163 /nfs/dbraw/zinc/36/41/63/637364163.db2.gz HDQFLIYVWHUHKF-CRWXNKLISA-N 2 0 240.391 1.325 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H](C)[C@H]1CCO ZINC000903463632 637365196 /nfs/dbraw/zinc/36/51/96/637365196.db2.gz HDQFLIYVWHUHKF-RFQIPJPRSA-N 2 0 240.391 1.325 20 0 BDADRP CC[N@H+](CC(C)C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722953 637378795 /nfs/dbraw/zinc/37/87/95/637378795.db2.gz QWQVROUTYHXAOZ-UONOGXRCSA-N 2 0 240.391 1.733 20 0 BDADRP C(CN1CCC[C@]12CC[NH2+]C2)[C@@H]1CCC[NH2+]C1 ZINC000903867316 637386994 /nfs/dbraw/zinc/38/69/94/637386994.db2.gz PDAIBUKFUDFEHY-UONOGXRCSA-N 2 0 237.391 1.204 20 0 BDADRP CC1(C)C[NH2+]C[C@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000904460887 637420740 /nfs/dbraw/zinc/42/07/40/637420740.db2.gz BHDNKUMXWYLZHY-PSEXLTFBSA-N 2 0 237.391 1.105 20 0 BDADRP CC1(C)C[NH2+]C[C@@H]1[NH2+]CC[C@H]1CCOC1 ZINC000904460694 637421281 /nfs/dbraw/zinc/42/12/81/637421281.db2.gz BWBDQIRLUSGMML-QWRGUYRKSA-N 2 0 212.337 1.001 20 0 BDADRP [NH3+]CCC[NH2+]C1(c2ccc3c(c2)OCCO3)CC1 ZINC000904468376 637423857 /nfs/dbraw/zinc/42/38/57/637423857.db2.gz ASELZFNYPALNGU-UHFFFAOYSA-N 2 0 248.326 1.385 20 0 BDADRP C[C@@H]1C[C@@H](CNc2ccccc2C[NH3+])CC[NH2+]1 ZINC000904484042 637427453 /nfs/dbraw/zinc/42/74/53/637427453.db2.gz CRXALRDKMYMMTK-NEPJUHHUSA-N 2 0 233.359 1.945 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000904917424 637524324 /nfs/dbraw/zinc/52/43/24/637524324.db2.gz LZFCPMRLKHCJCM-GVXVVHGQSA-N 2 0 241.379 1.090 20 0 BDADRP CC(=O)Nc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)cc1 ZINC000906508725 638181285 /nfs/dbraw/zinc/18/12/85/638181285.db2.gz WUNFHOHHUVVBSR-AULYBMBSSA-N 2 0 233.315 1.224 20 0 BDADRP Cc1ccc(C[NH2+]C2CC([NH3+])C2)cc1F ZINC000906510730 638183931 /nfs/dbraw/zinc/18/39/31/638183931.db2.gz STGCSKZEXVUIMT-UHFFFAOYSA-N 2 0 208.280 1.713 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]C[C@H]2CCOc3ccccc32)C1 ZINC000906516709 638187109 /nfs/dbraw/zinc/18/71/09/638187109.db2.gz IJAFGVFGTNGXOZ-IJLUTSLNSA-N 2 0 232.327 1.632 20 0 BDADRP COc1cccc2c1CC[C@@H]([NH2+][C@H]1C[C@H]([NH3+])C1)C2 ZINC000906518547 638187241 /nfs/dbraw/zinc/18/72/41/638187241.db2.gz RNHMSJOKMJFXFZ-JHJVBQTASA-N 2 0 246.354 1.632 20 0 BDADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)N[C@H]1C[C@H]([NH3+])C1 ZINC000906517539 638188164 /nfs/dbraw/zinc/18/81/64/638188164.db2.gz GHRPOHNJCQIUEL-RVMXOQNASA-N 2 0 225.380 1.377 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2cc(Cl)cs2)C1 ZINC000906517119 638188527 /nfs/dbraw/zinc/18/85/27/638188527.db2.gz FRIGCMTXTQTGBW-ZKCHVHJHSA-N 2 0 216.737 1.981 20 0 BDADRP CC[C@@H](C)C[C@@H]([NH3+])C(=O)Nc1cccc(C[NH3+])c1 ZINC000911649887 639708354 /nfs/dbraw/zinc/70/83/54/639708354.db2.gz WWIILZKQJXFZNR-ZWNOBZJWSA-N 2 0 249.358 1.847 20 0 BDADRP CC(C)(C)[C@H]([NH3+])CC(=O)N1CCCC[C@H]1C[NH3+] ZINC000911719154 639742833 /nfs/dbraw/zinc/74/28/33/639742833.db2.gz CPZIJRXJRPMXTM-WDEREUQCSA-N 2 0 241.379 1.090 20 0 BDADRP C[C@@H](C1CC1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000930502218 639785757 /nfs/dbraw/zinc/78/57/57/639785757.db2.gz HLVQQXIZCVJSJC-ZDUSSCGKSA-N 2 0 241.423 1.600 20 0 BDADRP CC[C@@H](C)C[C@H]([NH3+])C(=O)NC(CC)(CC)C[NH3+] ZINC000911800140 639822021 /nfs/dbraw/zinc/82/20/21/639822021.db2.gz OOQFXWRBHRTHHB-MNOVXSKESA-N 2 0 243.395 1.384 20 0 BDADRP CC(C)C[C@@H](C[NH3+])NC(=O)C[C@@H]([NH3+])C(C)(C)C ZINC000911822375 639836482 /nfs/dbraw/zinc/83/64/82/639836482.db2.gz YMWMNJFPQGQHHO-WDEREUQCSA-N 2 0 243.395 1.240 20 0 BDADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)NCC([NH3+])(CC)CC ZINC000911858471 639861667 /nfs/dbraw/zinc/86/16/67/639861667.db2.gz RODQQBQFAAZCHC-WDEREUQCSA-N 2 0 243.395 1.384 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000911880924 639867149 /nfs/dbraw/zinc/86/71/49/639867149.db2.gz OLKVWBDHKMEMAI-WOPDTQHZSA-N 2 0 241.379 1.138 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)C[C@@H]([NH3+])C(C)(C)C ZINC000911880227 639867211 /nfs/dbraw/zinc/86/72/11/639867211.db2.gz KSCGLBBPECNUAR-GHMZBOCLSA-N 2 0 243.395 1.384 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)C[C@H]([NH3+])CC(C)C ZINC000911883265 639867275 /nfs/dbraw/zinc/86/72/75/639867275.db2.gz XWWBHPVDWIAWSQ-VXGBXAGGSA-N 2 0 243.395 1.384 20 0 BDADRP C[NH+]1C[C@]2(C)CN(CCn3cccn3)C[C@@]2(C)C1 ZINC000931309501 640147553 /nfs/dbraw/zinc/14/75/53/640147553.db2.gz YADBQKMNWRZUOS-ZIAGYGMSSA-N 2 0 248.374 1.157 20 0 BDADRP C[N@@H+]1CCC[C@H]1CCN1[C@@H]2CC[C@H]1C[NH+](C)C2 ZINC000931391498 640174782 /nfs/dbraw/zinc/17/47/82/640174782.db2.gz HBIQKLQHQQMQAH-MELADBBJSA-N 2 0 237.391 1.249 20 0 BDADRP C[C@H]1CC[C@H](C[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)O1 ZINC000931435557 640200816 /nfs/dbraw/zinc/20/08/16/640200816.db2.gz FZHWFNXGFMGCER-IGQOVBAYSA-N 2 0 238.375 1.437 20 0 BDADRP CO[C@@H]1CC[C@@H]([N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)C1 ZINC000931435621 640204454 /nfs/dbraw/zinc/20/44/54/640204454.db2.gz BVHLQKKKNZAMSU-REWJHTLYSA-N 2 0 238.375 1.437 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3C[C@H]4C[C@H]4C3)C[C@@H]2C1 ZINC000931441620 640207696 /nfs/dbraw/zinc/20/76/96/640207696.db2.gz KZDMGVCLEJOKND-QMIVOQANSA-N 2 0 234.387 1.916 20 0 BDADRP CC/C=C/CC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931482214 640235041 /nfs/dbraw/zinc/23/50/41/640235041.db2.gz SBOQQXZCNJZYMD-AATRIKPKSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@@H]([NH2+]CCCC[NH+](C)C)C(C)(C)CO ZINC000924856800 640360072 /nfs/dbraw/zinc/36/00/72/640360072.db2.gz YECRMLXXVWLJSY-LLVKDONJSA-N 2 0 216.369 1.325 20 0 BDADRP C[NH+]1CCC(C[NH2+]CC2(O)CCCCC2)CC1 ZINC000044518146 640398964 /nfs/dbraw/zinc/39/89/64/640398964.db2.gz BIVDLGJWXMCOBY-UHFFFAOYSA-N 2 0 240.391 1.613 20 0 BDADRP CC[NH2+]CC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000044648242 640445389 /nfs/dbraw/zinc/44/53/89/640445389.db2.gz DGVRXZOTOIYTBD-UHFFFAOYSA-N 2 0 235.331 1.296 20 0 BDADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H]1CCOC1 ZINC000222820353 640509255 /nfs/dbraw/zinc/50/92/55/640509255.db2.gz BMQZTPMXZXJSEN-PJIALRRASA-N 2 0 238.375 1.626 20 0 BDADRP CC(C)C[C@@H](C[NH+](C)C)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000222962382 640522240 /nfs/dbraw/zinc/52/22/40/640522240.db2.gz PSQJLECAXLHYHP-RDBSUJKOSA-N 2 0 241.423 1.822 20 0 BDADRP C[N@H+](C[C@H]1CCCOC1)C[C@@]1(C)CCC[NH2+]C1 ZINC000223729576 640585369 /nfs/dbraw/zinc/58/53/69/640585369.db2.gz DHRCZJPBOFCAJA-KGLIPLIRSA-N 2 0 240.391 1.735 20 0 BDADRP CCO[C@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000932969279 640655273 /nfs/dbraw/zinc/65/52/73/640655273.db2.gz AIDRDBBCMDDYLM-STQMWFEESA-N 2 0 226.364 1.582 20 0 BDADRP C[C@H](CO)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000157296979 640661817 /nfs/dbraw/zinc/66/18/17/640661817.db2.gz UHWHQDPSACDLKS-JFUSQASVSA-N 2 0 206.289 1.102 20 0 BDADRP C1=CO[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000157452194 640686270 /nfs/dbraw/zinc/68/62/70/640686270.db2.gz SSZWOUTVAVIEGE-MCIONIFRSA-N 2 0 236.359 1.896 20 0 BDADRP C[N@@H+]1C[C@@H]2CN(CCOCC(F)F)C[C@]2(C)C1 ZINC000933731806 640752127 /nfs/dbraw/zinc/75/21/27/640752127.db2.gz HHOPCTGKZXGTNT-PWSUYJOCSA-N 2 0 248.317 1.152 20 0 BDADRP C[C@H]1C[N@H+](CCCCCCO)CC[C@@H]1[NH3+] ZINC000226422448 640762355 /nfs/dbraw/zinc/76/23/55/640762355.db2.gz RWYDUPBVLPSSCA-RYUDHWBXSA-N 2 0 214.353 1.208 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+]Cc2cnc[nH]2)CC1 ZINC000227329806 640828122 /nfs/dbraw/zinc/82/81/22/640828122.db2.gz NGJJCVDUNRHRKG-UHFFFAOYSA-N 2 0 222.336 1.231 20 0 BDADRP CC(C)(CCO)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000227909185 640853898 /nfs/dbraw/zinc/85/38/98/640853898.db2.gz PUBRMDGCJPRNHF-VXGBXAGGSA-N 2 0 228.380 1.502 20 0 BDADRP CS[C@@H](CO)[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000228327279 640870608 /nfs/dbraw/zinc/87/06/08/640870608.db2.gz KYZRBKYIUIVPBV-JQWIXIFHSA-N 2 0 246.420 1.030 20 0 BDADRP C[NH+]1CCC(CC[NH2+]C2CCC([NH3+])CC2)CC1 ZINC000229937846 640996743 /nfs/dbraw/zinc/99/67/43/640996743.db2.gz WZVXPAZTLGONOP-UHFFFAOYSA-N 3 0 239.407 1.578 20 0 BDADRP CO[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CC[C@@H]1C ZINC000230309865 641045739 /nfs/dbraw/zinc/04/57/39/641045739.db2.gz BIKCCUGPRYFJRQ-RWMBFGLXSA-N 2 0 226.364 1.343 20 0 BDADRP CO[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000230315706 641047344 /nfs/dbraw/zinc/04/73/44/641047344.db2.gz RZDXTAGHZWAMMM-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000230680172 641082373 /nfs/dbraw/zinc/08/23/73/641082373.db2.gz UYNXALUOEXKCEN-NEPJUHHUSA-N 2 0 214.353 1.269 20 0 BDADRP CO[C@@H]1CC[C@@H]1[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000934120073 641083965 /nfs/dbraw/zinc/08/39/65/641083965.db2.gz ZEHXLYGLRRCPLT-FRRDWIJNSA-N 2 0 226.364 1.580 20 0 BDADRP CCC[NH+]1CCN(C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000062861795 641101249 /nfs/dbraw/zinc/10/12/49/641101249.db2.gz UNJVYXYUYKXTNG-AWEZNQCLSA-N 2 0 239.407 1.404 20 0 BDADRP OCc1cc(N2CC[C@@H]([NH+]3CCCC3)C2)cc[nH+]1 ZINC000062982113 641114350 /nfs/dbraw/zinc/11/43/50/641114350.db2.gz XGFWSCLXWCJRJS-CQSZACIVSA-N 2 0 247.342 1.248 20 0 BDADRP CC(C)[C@@H](C[NH3+])C[NH2+]C1CCC([NH3+])CC1 ZINC000230943671 641118411 /nfs/dbraw/zinc/11/84/11/641118411.db2.gz LEMZZGFMCDNVSA-UNXYVOJBSA-N 3 0 213.369 1.077 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)c1ccsc1 ZINC000231980516 641226130 /nfs/dbraw/zinc/22/61/30/641226130.db2.gz WUMDYSKPQGZMOL-MVWJERBFSA-N 2 0 240.372 1.499 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H]2COCC2(C)C)C1 ZINC000313009960 641525559 /nfs/dbraw/zinc/52/55/59/641525559.db2.gz SZRFUBPNDZCFPW-OLZOCXBDSA-N 2 0 240.391 1.731 20 0 BDADRP CC(C)C[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000040775175 641536152 /nfs/dbraw/zinc/53/61/52/641536152.db2.gz KPPHOGSYMMAOMD-PBNFFQIGSA-N 2 0 240.391 1.608 20 0 BDADRP CC[N@H+](CCC[NH2+]C1CC1)C[C@@H]1CCCO1 ZINC000042470409 641552613 /nfs/dbraw/zinc/55/26/13/641552613.db2.gz RCXHBRLWYJRTIS-ZDUSSCGKSA-N 2 0 226.364 1.629 20 0 BDADRP CCN1CCC([N@H+](C)CCCCCC[NH3+])CC1 ZINC000042689552 641557785 /nfs/dbraw/zinc/55/77/85/641557785.db2.gz ROFKUNXASFILTN-UHFFFAOYSA-N 2 0 241.423 1.922 20 0 BDADRP Cn1cncc1CCC[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000314830835 641579693 /nfs/dbraw/zinc/57/96/93/641579693.db2.gz ZSJPYSFTZADMSH-LBPRGKRZSA-N 2 0 236.363 1.023 20 0 BDADRP C[C@@H]1C[C@@H](NC(=O)CCCCC[NH3+])CC[N@@H+]1C ZINC000157842075 641624912 /nfs/dbraw/zinc/62/49/12/641624912.db2.gz CIZFOCNLRYRHLA-NEPJUHHUSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@H]([NH2+]CCCCCC[NH3+])[C@@H]1CCOC1 ZINC000158608987 641641905 /nfs/dbraw/zinc/64/19/05/641641905.db2.gz HRBLFQSCCJDGGY-NWDGAFQWSA-N 2 0 214.353 1.520 20 0 BDADRP C[C@@H]([NH2+]CCC(C)(C)[NH3+])[C@@H]1CCOC1 ZINC000158611974 641642291 /nfs/dbraw/zinc/64/22/91/641642291.db2.gz MREONUHJSKDZEJ-NXEZZACHSA-N 2 0 200.326 1.128 20 0 BDADRP C[NH+](C)CCN1CCC([NH2+]C2CCCC2)CC1 ZINC000078893347 641966061 /nfs/dbraw/zinc/96/60/61/641966061.db2.gz LKDHZNKMQATCNO-UHFFFAOYSA-N 2 0 239.407 1.545 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)CCCCC[NH3+] ZINC000154133339 641966976 /nfs/dbraw/zinc/96/69/76/641966976.db2.gz OKRDDRHTLAUFKS-NWDGAFQWSA-N 2 0 241.379 1.234 20 0 BDADRP CC(C)[NH2+]CCCNC(=O)CCCCC[NH3+] ZINC000154142244 641971017 /nfs/dbraw/zinc/97/10/17/641971017.db2.gz XSYQLNCQBAPJRT-UHFFFAOYSA-N 2 0 229.368 1.010 20 0 BDADRP CC1(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)COC1 ZINC000925481712 642532329 /nfs/dbraw/zinc/53/23/29/642532329.db2.gz JTWJGAXMOXJFLU-LLVKDONJSA-N 2 0 224.348 1.287 20 0 BDADRP CN(CC[NH2+]C(C)(C)C)C[C@@H]1CC[N@H+](C)C1 ZINC000070821870 643071344 /nfs/dbraw/zinc/07/13/44/643071344.db2.gz RNWPQJVRWQFRAI-GFCCVEGCSA-N 2 0 227.396 1.258 20 0 BDADRP CC(C)[C@H](CNC(=[NH2+])NC1CC1)[NH+]1CCCC1 ZINC000066245128 643165223 /nfs/dbraw/zinc/16/52/23/643165223.db2.gz AXGXTDHPIRTZFB-LBPRGKRZSA-N 2 0 238.379 1.174 20 0 BDADRP CNC(=[NH2+])NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000066245354 643165383 /nfs/dbraw/zinc/16/53/83/643165383.db2.gz NMAFWJFYZWCYLT-NSHDSACASA-N 2 0 226.368 1.031 20 0 BDADRP CCOCC[N@H+](CC)C[C@@]1(C)CCC[NH2+]C1 ZINC000082538600 643339503 /nfs/dbraw/zinc/33/95/03/643339503.db2.gz KQYFYVFSAKYFOC-ZDUSSCGKSA-N 2 0 228.380 1.735 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN(C)Cc1cccnc1 ZINC000082560426 643342251 /nfs/dbraw/zinc/34/22/51/643342251.db2.gz BZGURIMEHRINMY-YPMHNXCESA-N 2 0 219.332 1.369 20 0 BDADRP C[C@H](C[NH2+][C@H]1CCOC1)C[NH+]1CCCCC1 ZINC000070968043 643398782 /nfs/dbraw/zinc/39/87/82/643398782.db2.gz IPNRMISSQDRMIW-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000083069212 643406949 /nfs/dbraw/zinc/40/69/49/643406949.db2.gz HSEAPEAEXIEFQY-CYBMUJFWSA-N 3 0 227.396 1.389 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1NCC[NH+]1CCCCC1 ZINC000084220860 643649708 /nfs/dbraw/zinc/64/97/08/643649708.db2.gz ZOOOPSILCRNBDZ-CHWSQXEVSA-N 2 0 225.380 1.189 20 0 BDADRP CC[NH+](CC)CCN[C@H]1CCC[C@H]1C[NH3+] ZINC000084217626 643649775 /nfs/dbraw/zinc/64/97/75/643649775.db2.gz VUWIGCXFXCXDNR-RYUDHWBXSA-N 2 0 213.369 1.045 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000084221281 643651527 /nfs/dbraw/zinc/65/15/27/643651527.db2.gz DSDYVOROMGPDCT-YNEHKIRRSA-N 2 0 227.396 1.434 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1cccnc1 ZINC000084218078 643651535 /nfs/dbraw/zinc/65/15/35/643651535.db2.gz YQIUCTPMCLRTPT-DMDPSCGWSA-N 2 0 219.332 1.860 20 0 BDADRP C[C@@H]1C[C@H](C)C[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000084384541 643659619 /nfs/dbraw/zinc/65/96/19/643659619.db2.gz CPUNHUFRAFTJEP-XQQFMLRXSA-N 2 0 210.365 1.964 20 0 BDADRP CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000050245244 643660908 /nfs/dbraw/zinc/66/09/08/643660908.db2.gz SRQPEGWUDDNMRO-ZDUSSCGKSA-N 2 0 234.343 1.866 20 0 BDADRP CCOc1cccc(C[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000050245488 643661956 /nfs/dbraw/zinc/66/19/56/643661956.db2.gz LINHWOKPBSOVAR-CYBMUJFWSA-N 2 0 234.343 1.866 20 0 BDADRP C[NH+](C)CCCC[NH2+]C[C@H]1CCC=CO1 ZINC000050269714 643673431 /nfs/dbraw/zinc/67/34/31/643673431.db2.gz WHNPZXBDCAKOQM-GFCCVEGCSA-N 2 0 212.337 1.611 20 0 BDADRP COCC[N@H+](CC(C)C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000085015334 643678752 /nfs/dbraw/zinc/67/87/52/643678752.db2.gz CNGZIKHNQYEWQN-OLZOCXBDSA-N 2 0 228.380 1.718 20 0 BDADRP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000085014283 643680390 /nfs/dbraw/zinc/68/03/90/643680390.db2.gz JJOBQTNIKGDTAG-KXNHARMFSA-N 2 0 212.337 1.223 20 0 BDADRP Cc1noc(C)c1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000075151758 643689549 /nfs/dbraw/zinc/68/95/49/643689549.db2.gz STWWMUKAHRHUDG-NSHDSACASA-N 2 0 223.320 1.462 20 0 BDADRP CCC(CC)(CO)C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000230209796 643767027 /nfs/dbraw/zinc/76/70/27/643767027.db2.gz OWZYOIWQXWVPAF-GFCCVEGCSA-N 2 0 228.380 1.517 20 0 BDADRP CCC(CC)(CO)C[NH2+]C1CC[NH2+]CC1 ZINC000230219962 643767231 /nfs/dbraw/zinc/76/72/31/643767231.db2.gz BJJVPYHNBTZEMZ-UHFFFAOYSA-N 2 0 214.353 1.127 20 0 BDADRP Cn1nccc1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000085869282 643824330 /nfs/dbraw/zinc/82/43/30/643824330.db2.gz RXQQTBWYEAEPOD-UHFFFAOYSA-N 2 0 222.336 1.122 20 0 BDADRP CC(C)OCC[N@H+](C)C1CCC([NH3+])CC1 ZINC000085870098 643824726 /nfs/dbraw/zinc/82/47/26/643824726.db2.gz ZGHBPJOJVHQXCT-UHFFFAOYSA-N 2 0 214.353 1.613 20 0 BDADRP CCC[C@@H](O)CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000922819517 644109248 /nfs/dbraw/zinc/10/92/48/644109248.db2.gz XXYNZIAHLGYDSN-QWHCGFSZSA-N 2 0 242.407 2.000 20 0 BDADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)[C@H]1CCCO1 ZINC000086725810 644168073 /nfs/dbraw/zinc/16/80/73/644168073.db2.gz LDAYFXSYYMANCO-WNYYMSAVSA-N 2 0 212.337 1.413 20 0 BDADRP C[C@@H]([NH3+])CCC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000193319517 644233930 /nfs/dbraw/zinc/23/39/30/644233930.db2.gz YUWMLXNZUKUUMY-GHMZBOCLSA-N 2 0 243.395 1.206 20 0 BDADRP COC[C@H]1CC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000081079745 644308025 /nfs/dbraw/zinc/30/80/25/644308025.db2.gz AJQQHKHJSNMZKC-STQMWFEESA-N 2 0 226.364 1.344 20 0 BDADRP CCc1onc(C)c1CN1CCC([NH3+])CC1 ZINC000923277454 644308784 /nfs/dbraw/zinc/30/87/84/644308784.db2.gz PDDIQCIMNKZXCG-UHFFFAOYSA-N 2 0 223.320 1.469 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCCCN1CCC[NH2+]C1CC1 ZINC000923279113 644311169 /nfs/dbraw/zinc/31/11/69/644311169.db2.gz FHJSISWHNUEOKY-WCQYABFASA-N 2 0 225.380 1.330 20 0 BDADRP Cc1ccc([C@@H](O)C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000923280253 644311493 /nfs/dbraw/zinc/31/14/93/644311493.db2.gz FZHUCMCOPMAUFN-JSGCOSHPSA-N 2 0 234.343 1.309 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CCCCN1CCC[NH2+]C1CC1 ZINC000923279114 644311792 /nfs/dbraw/zinc/31/17/92/644311792.db2.gz FHJSISWHNUEOKY-YPMHNXCESA-N 2 0 225.380 1.330 20 0 BDADRP C(C[NH2+]C1CC1)CN(C1CC1)C1CC[NH2+]CC1 ZINC000923280110 644312209 /nfs/dbraw/zinc/31/22/09/644312209.db2.gz DFFXYTQOFHCODY-UHFFFAOYSA-N 2 0 237.391 1.345 20 0 BDADRP c1ccc2c(c1)C[NH2+]CCN2CCC[NH2+]C1CC1 ZINC000923287351 644319680 /nfs/dbraw/zinc/31/96/80/644319680.db2.gz SXALXXIJOZPHIQ-UHFFFAOYSA-N 2 0 245.370 1.738 20 0 BDADRP CCCCCC[C@@H](O)CN1CCC[C@@H]1C[NH3+] ZINC000923292738 644330503 /nfs/dbraw/zinc/33/05/03/644330503.db2.gz KXNRCIJGPKILSY-CHWSQXEVSA-N 2 0 228.380 1.741 20 0 BDADRP C[C@@](C[NH3+])([NH2+]C[C@@H](O)c1ccccc1)C1CC1 ZINC000923295747 644333043 /nfs/dbraw/zinc/33/30/43/644333043.db2.gz GDPYVIUXFJJKMB-KGLIPLIRSA-N 2 0 234.343 1.437 20 0 BDADRP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@@H](O)CC1CCCC1 ZINC000923298862 644337242 /nfs/dbraw/zinc/33/72/42/644337242.db2.gz GIFBIONOWVBFTA-KBPBESRZSA-N 2 0 242.407 1.891 20 0 BDADRP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@@H](O)CC1CCCC1 ZINC000923298866 644337443 /nfs/dbraw/zinc/33/74/43/644337443.db2.gz GIFBIONOWVBFTA-UONOGXRCSA-N 2 0 242.407 1.891 20 0 BDADRP CC[C@H]1CCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923307368 644338554 /nfs/dbraw/zinc/33/85/54/644338554.db2.gz RYKURNYVLPUQBM-QWHCGFSZSA-N 2 0 238.375 1.487 20 0 BDADRP C[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CCCC1 ZINC000923302359 644338803 /nfs/dbraw/zinc/33/88/03/644338803.db2.gz WEMSJTADNBWBHN-GFCCVEGCSA-N 2 0 224.348 1.239 20 0 BDADRP C[C@@H]1C[C@@H](C)[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923313637 644341230 /nfs/dbraw/zinc/34/12/30/644341230.db2.gz IICPBVICFQOVOI-UTUOFQBUSA-N 2 0 224.348 1.095 20 0 BDADRP CC[C@H]1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923318263 644343459 /nfs/dbraw/zinc/34/34/59/644343459.db2.gz YKVMPFNQKGPOKX-CYDGBPFRSA-N 2 0 226.364 1.349 20 0 BDADRP Cc1ccc(C[N@@H+](C)[C@H]2C[C@H]([NH3+])C[C@@H]2O)s1 ZINC000923311502 644345869 /nfs/dbraw/zinc/34/58/69/644345869.db2.gz OCPHWEDNIHQPSX-DLOVCJGASA-N 2 0 240.372 1.339 20 0 BDADRP CC(C)CC1CC[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923319765 644347515 /nfs/dbraw/zinc/34/75/15/644347515.db2.gz ZNUWNYRYDAEDBB-IHRRRGAJSA-N 2 0 240.391 1.595 20 0 BDADRP C[C@H](O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000923358985 644368032 /nfs/dbraw/zinc/36/80/32/644368032.db2.gz NSPOZWFIEIKBLM-AVGNSLFASA-N 2 0 226.364 1.079 20 0 BDADRP CC(C)CC[C@H](O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000923354792 644373432 /nfs/dbraw/zinc/37/34/32/644373432.db2.gz WQRHWOAAKREDIU-KGLIPLIRSA-N 2 0 242.407 1.987 20 0 BDADRP CC(C)Cc1ccccc1CNC(C[NH3+])C[NH3+] ZINC000923355855 644373818 /nfs/dbraw/zinc/37/38/18/644373818.db2.gz FBGQZQUQTRGAOR-UHFFFAOYSA-N 2 0 235.375 1.261 20 0 BDADRP C(C[NH2+]C1CC1)CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000923365213 644375103 /nfs/dbraw/zinc/37/51/03/644375103.db2.gz CVEODCMYXISXRK-AWEZNQCLSA-N 2 0 237.391 1.204 20 0 BDADRP CC(C)CC[C@@H](O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000923356772 644376539 /nfs/dbraw/zinc/37/65/39/644376539.db2.gz ULHGJWLONJUHDK-CHWSQXEVSA-N 2 0 228.380 1.454 20 0 BDADRP CC(C)(C)[C@@H](C[NH3+])NCCC[NH2+]C1CC1 ZINC000923366904 644379424 /nfs/dbraw/zinc/37/94/24/644379424.db2.gz ASGWQFKHELMJBR-LLVKDONJSA-N 2 0 213.369 1.092 20 0 BDADRP CCOCCOCC[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000923369274 644382322 /nfs/dbraw/zinc/38/23/22/644382322.db2.gz JJMNNNSRKUYWAR-LBPRGKRZSA-N 2 0 244.379 1.017 20 0 BDADRP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCCC[NH2+]C1CC1 ZINC000923371722 644383858 /nfs/dbraw/zinc/38/38/58/644383858.db2.gz ZSGKDXFNIXMPEP-NTZNESFSSA-N 2 0 225.380 1.105 20 0 BDADRP COC(=O)C[C@@H]1CCC[N@@H+]1CCC[NH2+]C1CC1 ZINC000923373090 644389613 /nfs/dbraw/zinc/38/96/13/644389613.db2.gz MHIVZMYADFNZCO-LBPRGKRZSA-N 2 0 240.347 1.156 20 0 BDADRP C[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923378352 644391227 /nfs/dbraw/zinc/39/12/27/644391227.db2.gz KBXVIWBKXKAWRN-SIGLWIIPSA-N 2 0 248.370 1.619 20 0 BDADRP CC[C@](C)(CC(=O)OC)[NH2+]CCC[NH2+]C1CC1 ZINC000923377680 644391274 /nfs/dbraw/zinc/39/12/74/644391274.db2.gz WINWYTPBVMBNMN-CYBMUJFWSA-N 2 0 242.363 1.450 20 0 BDADRP CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923376383 644392161 /nfs/dbraw/zinc/39/21/61/644392161.db2.gz ANMNFIBGVGKNMP-DGORSVRFSA-N 2 0 212.337 1.005 20 0 BDADRP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C[C@@H]1O)C1CCCC1 ZINC000923377045 644392167 /nfs/dbraw/zinc/39/21/67/644392167.db2.gz IBEYPCHLMAZUQA-VGDYDELISA-N 2 0 212.337 1.005 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)CC(F)(F)F ZINC000923382559 644394926 /nfs/dbraw/zinc/39/49/26/644394926.db2.gz CWQKCADCOGCKBN-DJLDLDEBSA-N 2 0 240.269 1.159 20 0 BDADRP CC1(F)CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923414266 644417510 /nfs/dbraw/zinc/41/75/10/644417510.db2.gz BGBGWRFKUFLYCZ-LLVKDONJSA-N 2 0 242.338 1.189 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@H](O)Cc1ccccc1 ZINC000923422842 644418867 /nfs/dbraw/zinc/41/88/67/644418867.db2.gz TWUWCNWXICBORD-MCIONIFRSA-N 2 0 248.370 1.305 20 0 BDADRP [NH3+][C@@H](C[C@@H]1CCC[N@H+](CCO)C1)C1CCCC1 ZINC000923428713 644421293 /nfs/dbraw/zinc/42/12/93/644421293.db2.gz YVEFIIVHZLFMCJ-JSGCOSHPSA-N 2 0 240.391 1.598 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccccn1 ZINC000084217852 644421505 /nfs/dbraw/zinc/42/15/05/644421505.db2.gz FTOULTBDPHFXEA-CMPLNLGQSA-N 2 0 205.305 1.299 20 0 BDADRP CCc1ncc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)o1 ZINC000923429405 644422344 /nfs/dbraw/zinc/42/23/44/644422344.db2.gz SWMXBLOWDRMPNX-GHMZBOCLSA-N 2 0 237.347 1.654 20 0 BDADRP Cc1ccc([C@H](O)C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)cc1 ZINC000923419822 644424090 /nfs/dbraw/zinc/42/40/90/644424090.db2.gz DMJDPRBMORCGQF-RDBSUJKOSA-N 2 0 248.370 1.744 20 0 BDADRP C[C@H]1CN[C@@H](C)[C@H](C)[N@@H+]1CCC1CC[NH2+]CC1 ZINC000923438439 644431471 /nfs/dbraw/zinc/43/14/71/644431471.db2.gz ZGMYYAHJMDCXKF-AVGNSLFASA-N 2 0 239.407 1.447 20 0 BDADRP C[C@@H]1CN[C@@H](C)[C@H](C)[N@@H+]1CCC1CC[NH2+]CC1 ZINC000923438438 644432320 /nfs/dbraw/zinc/43/23/20/644432320.db2.gz ZGMYYAHJMDCXKF-AGIUHOORSA-N 2 0 239.407 1.447 20 0 BDADRP COC[C@H](CN1CC[C@@H]2CC[NH2+][C@@H]2C1)C(C)C ZINC000923455952 644435910 /nfs/dbraw/zinc/43/59/10/644435910.db2.gz BDAHUYDVNXHTRC-MELADBBJSA-N 2 0 240.391 1.589 20 0 BDADRP C[N@H+](CCC1CC[NH2+]CC1)C[C@@H]1CCOC1 ZINC000085438566 644441684 /nfs/dbraw/zinc/44/16/84/644441684.db2.gz LYFCQRGHXBQHMA-ZDUSSCGKSA-N 2 0 226.364 1.344 20 0 BDADRP [NH3+]CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000085541668 644443096 /nfs/dbraw/zinc/44/30/96/644443096.db2.gz SSUJMAIZOFRWHG-TXEJJXNPSA-N 2 0 212.337 1.369 20 0 BDADRP CCCCCC[C@H](O)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923480424 644458704 /nfs/dbraw/zinc/45/87/04/644458704.db2.gz YHJHPWFGYPHTIT-KBPBESRZSA-N 2 0 242.407 1.988 20 0 BDADRP CCCCCC[C@@H](O)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923480427 644459451 /nfs/dbraw/zinc/45/94/51/644459451.db2.gz YHJHPWFGYPHTIT-UONOGXRCSA-N 2 0 242.407 1.988 20 0 BDADRP COC(=O)CC1(C[N@@H+]2CC[C@H](CC[NH3+])C2)CC1 ZINC000923481916 644459840 /nfs/dbraw/zinc/45/98/40/644459840.db2.gz VAQYVAZMGINWPZ-NSHDSACASA-N 2 0 240.347 1.000 20 0 BDADRP CCCCOC(=O)CC[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923480885 644460127 /nfs/dbraw/zinc/46/01/27/644460127.db2.gz MEASDMXCZOJISY-LBPRGKRZSA-N 2 0 242.363 1.391 20 0 BDADRP C[C@H]1C[N@H+](CCOC(F)F)CC[C@H]1C[NH3+] ZINC000923490320 644465153 /nfs/dbraw/zinc/46/51/53/644465153.db2.gz MTXGLYDQUNKYHR-IUCAKERBSA-N 2 0 222.279 1.142 20 0 BDADRP C[C@H]1C[N@H+](Cc2coc(C3CC3)n2)CC[C@@H]1C[NH3+] ZINC000923492623 644466756 /nfs/dbraw/zinc/46/67/56/644466756.db2.gz YATVIFPPBOBGQK-CMPLNLGQSA-N 2 0 249.358 1.969 20 0 BDADRP C[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@H]1C[NH3+] ZINC000923491876 644468099 /nfs/dbraw/zinc/46/80/99/644468099.db2.gz KBVFYUQEKFPXMP-RNJOBUHISA-N 3 0 225.380 1.031 20 0 BDADRP C[C@H](c1cnccn1)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923492298 644468166 /nfs/dbraw/zinc/46/81/66/644468166.db2.gz BMMOFGAZBAJHCY-IJLUTSLNSA-N 2 0 234.347 1.454 20 0 BDADRP CC(C)[NH+](CCN[C@@H]1CC[NH2+]C1)C(C)C ZINC000086724410 644468301 /nfs/dbraw/zinc/46/83/01/644468301.db2.gz IRSMVGXGDXTEJR-GFCCVEGCSA-N 2 0 213.369 1.057 20 0 BDADRP Cc1cc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)nc(C)n1 ZINC000923492694 644468472 /nfs/dbraw/zinc/46/84/72/644468472.db2.gz CAHMSHVSMKXWBA-GXFFZTMASA-N 2 0 248.374 1.510 20 0 BDADRP Cc1cnc([C@H](C)[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)o1 ZINC000923493553 644469389 /nfs/dbraw/zinc/46/93/89/644469389.db2.gz ILILARGFBSHSQG-ZMLRMANQSA-N 2 0 237.347 1.961 20 0 BDADRP C[C@@H]1C[N@H+](CCOC2CC2)CC[C@@H]1C[NH3+] ZINC000923494137 644470662 /nfs/dbraw/zinc/47/06/62/644470662.db2.gz VWSVTDASHBKGGH-GHMZBOCLSA-N 2 0 212.337 1.082 20 0 BDADRP Cc1nc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)oc1C ZINC000923497330 644472515 /nfs/dbraw/zinc/47/25/15/644472515.db2.gz DPKAQBSNTURWLZ-CABZTGNLSA-N 2 0 237.347 1.708 20 0 BDADRP Cc1cnc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cn1 ZINC000923500857 644473167 /nfs/dbraw/zinc/47/31/67/644473167.db2.gz PPXJUXGMZIOESH-JQWIXIFHSA-N 2 0 234.347 1.202 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccnc(N)c2)CC[C@H]1C[NH3+] ZINC000923497539 644474215 /nfs/dbraw/zinc/47/42/15/644474215.db2.gz LZZKQOHSOLOXTD-PWSUYJOCSA-N 2 0 234.347 1.081 20 0 BDADRP Fc1cccc(CC[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923516215 644480215 /nfs/dbraw/zinc/48/02/15/644480215.db2.gz VFFUMURBVLPCFD-UONOGXRCSA-N 2 0 248.345 1.910 20 0 BDADRP COCCCCC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923517286 644480427 /nfs/dbraw/zinc/48/04/27/644480427.db2.gz CLPKQLAYBPFUPQ-QWHCGFSZSA-N 2 0 226.364 1.344 20 0 BDADRP CO[C@@H](C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1)C1CCC1 ZINC000923515564 644480518 /nfs/dbraw/zinc/48/05/18/644480518.db2.gz ARAIZMLESXEYJE-RTXFEEFZSA-N 2 0 226.364 1.328 20 0 BDADRP C[C@@H]1CC[C@@H](C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)O1 ZINC000923515086 644481051 /nfs/dbraw/zinc/48/10/51/644481051.db2.gz CNTRSWCCAVRNNT-XQHKEYJVSA-N 2 0 224.348 1.095 20 0 BDADRP CC(C)C[C@@H]1C[N@H+](C)CCN1C[C@@H]1CC[NH2+]C1 ZINC000923557678 644500811 /nfs/dbraw/zinc/50/08/11/644500811.db2.gz NESZQLVPTCYHNN-ZIAGYGMSSA-N 2 0 239.407 1.258 20 0 BDADRP Cc1ccc(C[NH2+]C2CCC([NH3+])CC2)nc1 ZINC000088135334 644511951 /nfs/dbraw/zinc/51/19/51/644511951.db2.gz XHLMBHXNDUUYDY-UHFFFAOYSA-N 2 0 219.332 1.750 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCOc1ccccc1 ZINC000089150414 644535750 /nfs/dbraw/zinc/53/57/50/644535750.db2.gz VRILFIQDNLBHEP-JSGCOSHPSA-N 2 0 234.343 1.782 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CC[N@H+](C)C1 ZINC000251165654 644795703 /nfs/dbraw/zinc/79/57/03/644795703.db2.gz CZBHCOBYFQXUSM-RDBSUJKOSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H]1C[N@H+](CCOc2ccccc2)CC[C@H]1C[NH3+] ZINC000251553420 644808507 /nfs/dbraw/zinc/80/85/07/644808507.db2.gz BIPSYPDTMOIWKU-KGLIPLIRSA-N 2 0 248.370 1.982 20 0 BDADRP CC[C@H]1COCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000251873817 644828360 /nfs/dbraw/zinc/82/83/60/644828360.db2.gz UPYOKBKEEKUOLW-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP CO[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000252176927 644840099 /nfs/dbraw/zinc/84/00/99/644840099.db2.gz SEUZZLJLQQEQCD-FVCCEPFGSA-N 2 0 226.364 1.626 20 0 BDADRP C[C@@H](O)c1ncc(C[NH2+][C@H](C)C[C@H](C)[NH3+])s1 ZINC000843128197 644853224 /nfs/dbraw/zinc/85/32/24/644853224.db2.gz ILNYXEXCSBLPCJ-DJLDLDEBSA-N 2 0 243.376 1.412 20 0 BDADRP C[C@@H](O)c1ncc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])s1 ZINC000843128198 644854156 /nfs/dbraw/zinc/85/41/56/644854156.db2.gz ILNYXEXCSBLPCJ-XHNCKOQMSA-N 2 0 243.376 1.412 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000415137370 644885693 /nfs/dbraw/zinc/88/56/93/644885693.db2.gz IVKQXHRNSUNENM-STQMWFEESA-N 2 0 225.380 1.188 20 0 BDADRP [NH3+]CCCCCC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000841856262 645230053 /nfs/dbraw/zinc/23/00/53/645230053.db2.gz MEHNJSHEZOQDMU-LBPRGKRZSA-N 2 0 241.379 1.139 20 0 BDADRP C[N@H+](CCCCCCC[NH3+])C1(CN)CCC1 ZINC000843388886 645289264 /nfs/dbraw/zinc/28/92/64/645289264.db2.gz CKKOQKKDGDCVJE-UHFFFAOYSA-N 2 0 227.396 1.709 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccnnc1 ZINC000926574067 645292511 /nfs/dbraw/zinc/29/25/11/645292511.db2.gz UHIQSABBAHNSPA-CHWSQXEVSA-N 2 0 248.374 1.859 20 0 BDADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)C(C)(C)CO ZINC000926606429 645312521 /nfs/dbraw/zinc/31/25/21/645312521.db2.gz KMTAVEJQNSDNSS-PNESKVBLSA-N 2 0 242.407 1.856 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)C(C)(C)CO ZINC000926751990 645402132 /nfs/dbraw/zinc/40/21/32/645402132.db2.gz BWDAUVRIPRBPCH-QWHCGFSZSA-N 2 0 242.407 1.715 20 0 BDADRP [NH3+]CCC1CC[NH+](CCOC(F)F)CC1 ZINC000852753567 645487899 /nfs/dbraw/zinc/48/78/99/645487899.db2.gz NNXADXKSLPJQEL-UHFFFAOYSA-N 2 0 222.279 1.286 20 0 BDADRP CCOCCC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925487886 645496423 /nfs/dbraw/zinc/49/64/23/645496423.db2.gz HBMOEBLGATUSML-NWDGAFQWSA-N 2 0 228.380 1.909 20 0 BDADRP CCO[C@@H](C[NH2+][C@H]1COC(C)(C)C1)CN(C)C ZINC000926959581 645503077 /nfs/dbraw/zinc/50/30/77/645503077.db2.gz JUCSJFDQBSMSCE-NEPJUHHUSA-N 2 0 244.379 1.110 20 0 BDADRP CCC[C@@H](O)CC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000927028068 645527188 /nfs/dbraw/zinc/52/71/88/645527188.db2.gz PGYZEJCJQVCGKL-GXTWGEPZSA-N 2 0 242.407 1.857 20 0 BDADRP CC[C@@H](C)[N@H+](C)CCNC(=[NH2+])NCC(C)C ZINC000221886249 645893775 /nfs/dbraw/zinc/89/37/75/645893775.db2.gz UXNYVTNQOPPPGM-LLVKDONJSA-N 2 0 228.384 1.487 20 0 BDADRP C[C@@H]([NH2+]CCC[NH+](C)C)C1(Br)CC1 ZINC000924538522 646056778 /nfs/dbraw/zinc/05/67/78/646056778.db2.gz CAVDZTKSKCAASQ-SECBINFHSA-N 2 0 249.196 1.844 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCCCO1 ZINC000924802761 646110165 /nfs/dbraw/zinc/11/01/65/646110165.db2.gz KMLXEMRKPXTVKD-WJLOJVBCSA-N 2 0 238.375 1.485 20 0 BDADRP CC(C)[C@@H]1COCC[C@H]1[NH2+]CCCC[NH+](C)C ZINC000924854932 646119284 /nfs/dbraw/zinc/11/92/84/646119284.db2.gz OGICFSRLOXHNFT-UONOGXRCSA-N 2 0 242.407 1.979 20 0 BDADRP Cc1nonc1[C@@H](C)[NH2+]CCCC[NH+](C)C ZINC000924855855 646120090 /nfs/dbraw/zinc/12/00/90/646120090.db2.gz UMQIKWOEHHNWTP-SECBINFHSA-N 2 0 226.324 1.370 20 0 BDADRP C[C@@H]1COC[C@@H](C)C1[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000925012805 646157910 /nfs/dbraw/zinc/15/79/10/646157910.db2.gz WQYVNWMURXQGKN-JHJVBQTASA-N 2 0 240.391 1.589 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@]1(C)CCOC1 ZINC000925052093 646168447 /nfs/dbraw/zinc/16/84/47/646168447.db2.gz AEQRNGUPVRLMOZ-QNMSZWNNSA-N 2 0 238.375 1.343 20 0 BDADRP C[C@@H]1[C@@H]([NH2+]C[C@H]2CCCn3ccnc32)CO[C@H]1C ZINC000925170151 646200469 /nfs/dbraw/zinc/20/04/69/646200469.db2.gz LDKJFQHPUQNWJA-RVMXOQNASA-N 2 0 249.358 1.774 20 0 BDADRP COC[C@H](C[N@@H+]1CC[C@@H](C[NH+](C)C)C1)C(C)C ZINC000929637664 646215175 /nfs/dbraw/zinc/21/51/75/646215175.db2.gz MOFNVUCVBUSZMZ-KBPBESRZSA-N 2 0 242.407 1.789 20 0 BDADRP C[NH+](C)C[C@H]1CC[N@H+](CCCc2cccnc2)C1 ZINC000929637480 646215415 /nfs/dbraw/zinc/21/54/15/646215415.db2.gz JFCFWPVKZNFQHS-OAHLLOKOSA-N 2 0 247.386 1.898 20 0 BDADRP COC[C@H](C[N@@H+]1CC[C@H](C[NH+](C)C)C1)C(C)C ZINC000929637665 646216228 /nfs/dbraw/zinc/21/62/28/646216228.db2.gz MOFNVUCVBUSZMZ-KGLIPLIRSA-N 2 0 242.407 1.789 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@H](C)C(C)(C)CO)CC1 ZINC000925304402 646234412 /nfs/dbraw/zinc/23/44/12/646234412.db2.gz UCYYVWLIPBHSQR-GFCCVEGCSA-N 2 0 242.407 1.856 20 0 BDADRP CCCC[N@H+](C)CCN[C@H]1CCC[NH2+][C@H]1C ZINC000925481214 646294356 /nfs/dbraw/zinc/29/43/56/646294356.db2.gz IEHXIZUVYYZUQG-STQMWFEESA-N 2 0 227.396 1.448 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925485994 646296464 /nfs/dbraw/zinc/29/64/64/646296464.db2.gz FNXSQYBRGWVMEI-ZDUSSCGKSA-N 3 0 239.407 1.448 20 0 BDADRP CC[NH+](CC)C[C@@H](C)N[C@H]1CC[NH2+]C1(C)C ZINC000925485170 646296698 /nfs/dbraw/zinc/29/66/98/646296698.db2.gz BPDKHKAMSPBURT-NEPJUHHUSA-N 2 0 227.396 1.447 20 0 BDADRP C[C@H]([NH3+])[C@@H](NCCC[NH+](C)C)c1ccccc1 ZINC000925500647 646303926 /nfs/dbraw/zinc/30/39/26/646303926.db2.gz DJNIYLKMQTWAQR-GXTWGEPZSA-N 2 0 235.375 1.616 20 0 BDADRP C[C@@H](C[NH2+][C@@H]1CC[NH2+]C1(C)C)C[C@H](C)O ZINC000925511466 646307777 /nfs/dbraw/zinc/30/77/77/646307777.db2.gz NNMSRXDEWWTNNQ-OUAUKWLOSA-N 2 0 214.353 1.124 20 0 BDADRP C[C@@H]([NH3+])[C@@H](NCC[NH+]1CCCC1)c1ccccc1 ZINC000925509863 646308976 /nfs/dbraw/zinc/30/89/76/646308976.db2.gz RJELIEFRWMHDAZ-UKRRQHHQSA-N 2 0 247.386 1.760 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOC2CC2)C[C@@H]1C ZINC000929783033 646311611 /nfs/dbraw/zinc/31/16/11/646311611.db2.gz YHRRUZBNEYEBEK-STQMWFEESA-N 2 0 240.391 1.970 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925521591 646314527 /nfs/dbraw/zinc/31/45/27/646314527.db2.gz OIGWFDGSQUGTOI-LLVKDONJSA-N 3 0 213.369 1.058 20 0 BDADRP CCC[N@H+](CC)CCN[C@@H]1CC[NH2+]C12CCC2 ZINC000925528990 646317626 /nfs/dbraw/zinc/31/76/26/646317626.db2.gz HUDLLXKQNBEFMC-CYBMUJFWSA-N 2 0 239.407 1.593 20 0 BDADRP C[C@H]([NH3+])[C@H](NCC1(CO)CC1)c1ccccc1 ZINC000925530198 646319393 /nfs/dbraw/zinc/31/93/93/646319393.db2.gz PGOLEOWQMAKSND-AAEUAGOBSA-N 2 0 234.343 1.437 20 0 BDADRP CC1(C)[C@H]([NH2+]CC2(CO)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925530832 646320403 /nfs/dbraw/zinc/32/04/03/646320403.db2.gz VUOBYUHZNGOZIN-GRYCIOLGSA-N 2 0 238.375 1.125 20 0 BDADRP CC1(C)C[C@@H]([NH2+]CC2(CO)CC2)C[C@@H]([NH3+])C1 ZINC000925529933 646320571 /nfs/dbraw/zinc/32/05/71/646320571.db2.gz NYUVRUBTPVULAP-MNOVXSKESA-N 2 0 226.364 1.255 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925541115 646321981 /nfs/dbraw/zinc/32/19/81/646321981.db2.gz TZBVSIXLGWEDTI-OLZOCXBDSA-N 2 0 240.391 1.659 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000925536539 646322736 /nfs/dbraw/zinc/32/27/36/646322736.db2.gz FSSXDOLPTYGABM-YPMHNXCESA-N 2 0 237.391 1.201 20 0 BDADRP CC1(C)[C@@H]([NH2+][C@@H]2CCCOC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925549500 646327639 /nfs/dbraw/zinc/32/76/39/646327639.db2.gz LTVYYYCUOUSREG-NDBYEHHHSA-N 2 0 238.375 1.532 20 0 BDADRP C[N@@H+]1CCC[C@H](CN[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925556710 646330581 /nfs/dbraw/zinc/33/05/81/646330581.db2.gz MDDPLHRNCJFZCB-CHWSQXEVSA-N 2 0 237.391 1.202 20 0 BDADRP CC[N@H+](CCN[C@H]1CCC[NH2+][C@@H]1C)C(C)C ZINC000925556474 646331187 /nfs/dbraw/zinc/33/11/87/646331187.db2.gz JNQDMHHEOOIOPJ-OLZOCXBDSA-N 2 0 227.396 1.447 20 0 BDADRP C[N@@H+]1CCC[C@@H](CN[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925556716 646331526 /nfs/dbraw/zinc/33/15/26/646331526.db2.gz MDDPLHRNCJFZCB-QWHCGFSZSA-N 2 0 237.391 1.202 20 0 BDADRP CC(C)[N@H+](C)CCN[C@H]1CC[NH2+]C1(C)C ZINC000925555394 646331872 /nfs/dbraw/zinc/33/18/72/646331872.db2.gz FHULGCFPKXAZIP-NSHDSACASA-N 2 0 213.369 1.057 20 0 BDADRP CC[N@H+](CCN[C@H]1CC[NH2+]C1(C)C)C(C)C ZINC000925555389 646332033 /nfs/dbraw/zinc/33/20/33/646332033.db2.gz FDXKQVLILAMJAV-LBPRGKRZSA-N 2 0 227.396 1.447 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CN[C@@H]1CCC[NH2+][C@H]1C ZINC000925573488 646341916 /nfs/dbraw/zinc/34/19/16/646341916.db2.gz OAQOMDMSKPFQCX-BFHYXJOUSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925597056 646350609 /nfs/dbraw/zinc/35/06/09/646350609.db2.gz ZXFCVDASATWSRD-YFKTTZPYSA-N 2 0 226.364 1.659 20 0 BDADRP CC1(C)C[C@@H]1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925597672 646351180 /nfs/dbraw/zinc/35/11/80/646351180.db2.gz RAUOFEMLOFRTDX-MNOVXSKESA-N 2 0 208.349 1.907 20 0 BDADRP CC1(C)[C@@H]([NH2+]C2CCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925595112 646351462 /nfs/dbraw/zinc/35/14/62/646351462.db2.gz MYTIELKHGSAOQD-WOPDTQHZSA-N 2 0 208.349 1.905 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925597053 646351919 /nfs/dbraw/zinc/35/19/19/646351919.db2.gz ZXFCVDASATWSRD-QCNOEVLYSA-N 2 0 226.364 1.659 20 0 BDADRP COCC1([NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925603141 646355614 /nfs/dbraw/zinc/35/56/14/646355614.db2.gz ICMVVRJOWWBRQO-UWVGGRQHSA-N 2 0 210.321 1.025 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925609174 646358509 /nfs/dbraw/zinc/35/85/09/646358509.db2.gz PTPMCJHUUQZPAS-WZRBSPASSA-N 2 0 228.380 1.643 20 0 BDADRP CC[C@H](CO)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000929847190 646358589 /nfs/dbraw/zinc/35/85/89/646358589.db2.gz LUYRGRCWVXRWIU-UPJWGTAASA-N 2 0 226.364 1.173 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H]2C=C[C@H](CO)C2)C1 ZINC000925614690 646362615 /nfs/dbraw/zinc/36/26/15/646362615.db2.gz JJZJYQIMGYVPRP-UMSGYPCISA-N 2 0 238.375 1.419 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](CO)CC2)C12CCC2 ZINC000925613423 646363692 /nfs/dbraw/zinc/36/36/92/646363692.db2.gz CWWSXYMXCWZYNG-FDYHWXHSSA-N 2 0 238.375 1.397 20 0 BDADRP C1=CC[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925620636 646368481 /nfs/dbraw/zinc/36/84/81/646368481.db2.gz WKRJHEFQRJHHRE-NWDGAFQWSA-N 2 0 206.333 1.969 20 0 BDADRP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)c1cn[nH]c1 ZINC000925625444 646372306 /nfs/dbraw/zinc/37/23/06/646372306.db2.gz HVHDNVNVYTWTHL-DLOVCJGASA-N 2 0 236.363 1.966 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CC2(CCO)CC2)C1 ZINC000925645328 646386861 /nfs/dbraw/zinc/38/68/61/646386861.db2.gz PNCDIMXBCNBZCH-VXGBXAGGSA-N 2 0 240.391 1.645 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCC2CC(O)C2)C1 ZINC000925651558 646392252 /nfs/dbraw/zinc/39/22/52/646392252.db2.gz GEGLOHWWTFTMGP-CMOBGSAGSA-N 2 0 240.391 1.643 20 0 BDADRP C[C@@H]([NH2+][C@H]1C[C@@H]2CC[C@@H]([NH2+]2)[C@H]1C)C1CC1 ZINC000925680114 646402826 /nfs/dbraw/zinc/40/28/26/646402826.db2.gz HTXJJOBSCDUJHF-WHIOXUINSA-N 2 0 208.349 1.904 20 0 BDADRP CC1(C)C[C@@H]([NH2+]CC2=CCOCC2)C[C@@H]([NH3+])C1 ZINC000925677892 646407468 /nfs/dbraw/zinc/40/74/68/646407468.db2.gz AJVVDOVXXPVFOP-OLZOCXBDSA-N 2 0 238.375 1.829 20 0 BDADRP Cc1cccnc1CCN[C@@H]1CC[NH2+]C1(C)C ZINC000925683424 646411008 /nfs/dbraw/zinc/41/10/08/646411008.db2.gz QFIRCQKKJPQJIY-CYBMUJFWSA-N 2 0 233.359 1.663 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925689675 646414436 /nfs/dbraw/zinc/41/44/36/646414436.db2.gz HVZHBNRGVVCHQX-AWEZNQCLSA-N 3 0 235.375 1.666 20 0 BDADRP C[C@H](N)[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccccc1 ZINC000925689534 646416315 /nfs/dbraw/zinc/41/63/15/646416315.db2.gz BLRBEMNOGAAKLZ-VYESFELBSA-N 2 0 247.386 1.934 20 0 BDADRP CC1(C)C[C@@H](NC[C@@H]2CCC[NH2+]C2)C[C@@H]([NH3+])C1 ZINC000925691087 646416777 /nfs/dbraw/zinc/41/67/77/646416777.db2.gz IJTYDZBFTCMEJE-UPJWGTAASA-N 2 0 239.407 1.482 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H](NC[C@H]2CCC[NH2+]C2)C1 ZINC000925691093 646416952 /nfs/dbraw/zinc/41/69/52/646416952.db2.gz IJTYDZBFTCMEJE-YNEHKIRRSA-N 2 0 239.407 1.482 20 0 BDADRP CC1(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CC[NH2+]CC1 ZINC000925697403 646421477 /nfs/dbraw/zinc/42/14/77/646421477.db2.gz FTJCDVVXMSZQKB-RYUDHWBXSA-N 3 0 237.391 1.236 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925696340 646421725 /nfs/dbraw/zinc/42/17/25/646421725.db2.gz ZPRQXOJZVXCGHY-GRYCIOLGSA-N 2 0 227.396 1.465 20 0 BDADRP [NH3+][C@@H](CN[C@@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000925695795 646422263 /nfs/dbraw/zinc/42/22/63/646422263.db2.gz XOSGOILXEBHXFL-UONOGXRCSA-N 2 0 245.370 1.561 20 0 BDADRP C[C@H](C[NH3+])CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925697687 646422845 /nfs/dbraw/zinc/42/28/45/646422845.db2.gz HJOHUINQKBAGQL-MRVWCRGKSA-N 3 0 239.407 1.339 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@@H](N[C@H]2CCC[NH2+]C2)C1 ZINC000925700423 646425054 /nfs/dbraw/zinc/42/50/54/646425054.db2.gz TXYFULPJSWCELC-SDDRHHMPSA-N 2 0 225.380 1.234 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CCC2CC[NH2+]CC2)C12CCC2 ZINC000925702048 646425056 /nfs/dbraw/zinc/42/50/56/646425056.db2.gz JWBJHEUTRFIGHD-OLZOCXBDSA-N 3 0 237.391 1.236 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000925703082 646427531 /nfs/dbraw/zinc/42/75/31/646427531.db2.gz BWWAUGHWMZCORG-ZDEQEGDKSA-N 2 0 226.364 1.519 20 0 BDADRP [NH3+]C[C@H](N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C1CCCC1 ZINC000925707595 646432880 /nfs/dbraw/zinc/43/28/80/646432880.db2.gz LTLFDKINMYYQGJ-UQGHGMQMSA-N 2 0 249.402 1.090 20 0 BDADRP C1[C@@H](N[C@@H]2CC[NH2+]C23CCCC3)C12CC[NH2+]CC2 ZINC000925709660 646434265 /nfs/dbraw/zinc/43/42/65/646434265.db2.gz PIIILGFYSFSWKI-CHWSQXEVSA-N 2 0 249.402 1.393 20 0 BDADRP CC1(C)[C@H]([NH2+][C@@H]2CC23CC3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925709256 646435053 /nfs/dbraw/zinc/43/50/53/646435053.db2.gz UNYNSTODLWUMHH-WISYIIOYSA-N 2 0 220.360 1.905 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925711833 646435739 /nfs/dbraw/zinc/43/57/39/646435739.db2.gz SMQZYEGBYLUSAO-KGLIPLIRSA-N 3 0 235.375 1.794 20 0 BDADRP Nc1cccc(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925711961 646436249 /nfs/dbraw/zinc/43/62/49/646436249.db2.gz GPGULYHWKJJBMM-OLZOCXBDSA-N 2 0 231.343 1.628 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925711835 646436802 /nfs/dbraw/zinc/43/68/02/646436802.db2.gz SMQZYEGBYLUSAO-ZIAGYGMSSA-N 3 0 235.375 1.794 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925711832 646436917 /nfs/dbraw/zinc/43/69/17/646436917.db2.gz SMQZYEGBYLUSAO-KBPBESRZSA-N 3 0 235.375 1.794 20 0 BDADRP COCC1(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925712496 646437377 /nfs/dbraw/zinc/43/73/77/646437377.db2.gz HEDWCWZCZFIIKR-NWDGAFQWSA-N 2 0 240.391 1.909 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925713449 646438612 /nfs/dbraw/zinc/43/86/12/646438612.db2.gz SWDKDZMHMVIVQK-KGLIPLIRSA-N 3 0 245.370 1.505 20 0 BDADRP C[C@@H]1CC[C@H](N[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)C[NH2+]1 ZINC000925717067 646440886 /nfs/dbraw/zinc/44/08/86/646440886.db2.gz IJDZANJIEYRFSL-NDBYEHHHSA-N 2 0 239.407 1.623 20 0 BDADRP C[NH2+]C[C@H](C)N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925717383 646442413 /nfs/dbraw/zinc/44/24/13/646442413.db2.gz TYQVZHKQMOULDM-AXFHLTTASA-N 2 0 213.369 1.090 20 0 BDADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]CCOCCF ZINC000925717375 646443263 /nfs/dbraw/zinc/44/32/63/646443263.db2.gz TXXNXCNGINJBCC-MPEURRAXSA-N 2 0 244.354 1.468 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000925726398 646451611 /nfs/dbraw/zinc/45/16/11/646451611.db2.gz SLBDTDMNEWHZSV-NEPJUHHUSA-N 2 0 239.407 1.495 20 0 BDADRP [NH3+]CCC[C@@H]([NH2+]CC1CC([NH3+])C1)c1ccccc1 ZINC000925731837 646456814 /nfs/dbraw/zinc/45/68/14/646456814.db2.gz VGSNLNUEOHAWSE-PESDSKBTSA-N 3 0 247.386 1.794 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCc1ccns1 ZINC000925733458 646456978 /nfs/dbraw/zinc/45/69/78/646456978.db2.gz VCKYXDDLFDMLQX-NEPJUHHUSA-N 2 0 239.388 1.935 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCc1ccns1 ZINC000925733461 646458342 /nfs/dbraw/zinc/45/83/42/646458342.db2.gz VCKYXDDLFDMLQX-VXGBXAGGSA-N 2 0 239.388 1.935 20 0 BDADRP CC1(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])CC(F)(F)C1 ZINC000925735429 646460342 /nfs/dbraw/zinc/46/03/42/646460342.db2.gz ZTZZWYTYDVULFY-DTWKUNHWSA-N 2 0 218.291 1.891 20 0 BDADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCC(C)(C)[NH3+] ZINC000925737779 646460939 /nfs/dbraw/zinc/46/09/39/646460939.db2.gz LCADNWBKURXQAH-OCCSQVGLSA-N 2 0 249.402 1.662 20 0 BDADRP C[N@@H+]1CC[C@H](NCCC(C)(C)[NH3+])[C@H]2CCC[C@H]21 ZINC000925738051 646461183 /nfs/dbraw/zinc/46/11/83/646461183.db2.gz MGXQLYKTMJONFF-FRRDWIJNSA-N 2 0 239.407 1.576 20 0 BDADRP COCC[C@H]1CCC[C@H]1[NH2+]CCC(C)(C)[NH3+] ZINC000925739180 646462900 /nfs/dbraw/zinc/46/29/00/646462900.db2.gz UQBKAZZHBZFGER-VXGBXAGGSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C1CCC(C)(O)CC1 ZINC000925781785 646464035 /nfs/dbraw/zinc/46/40/35/646464035.db2.gz YOIBGTWIDXIACE-QYNFOATHSA-N 2 0 214.353 1.395 20 0 BDADRP CCC1([NH3+])CCN([C@@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000925760399 646466188 /nfs/dbraw/zinc/46/61/88/646466188.db2.gz MJWDEHFEZYHINM-CHWSQXEVSA-N 2 0 239.407 1.578 20 0 BDADRP CCC1([NH3+])CC[NH+]([C@@H](C)CCCCO)CC1 ZINC000925760920 646466602 /nfs/dbraw/zinc/46/66/02/646466602.db2.gz UGZDZEJPUVOKKY-LBPRGKRZSA-N 2 0 228.380 1.741 20 0 BDADRP CC1(C)CO[C@H](CC[NH2+][C@H]2CC[NH2+]C2(C)C)C1 ZINC000925773693 646472759 /nfs/dbraw/zinc/47/27/59/646472759.db2.gz FOZVVTHOAORUBI-NEPJUHHUSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC[C@H]1CCCO1 ZINC000925773945 646473245 /nfs/dbraw/zinc/47/32/45/646473245.db2.gz IGSIEAZUTOMHQG-YNEHKIRRSA-N 2 0 226.364 1.533 20 0 BDADRP COC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])[C@H]1CCCOC1 ZINC000925778649 646477021 /nfs/dbraw/zinc/47/70/21/646477021.db2.gz KCZWDUSWJLJLDG-RNJOBUHISA-N 2 0 244.379 1.143 20 0 BDADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1C[NH2+]C[C@H]1C ZINC000925786738 646482945 /nfs/dbraw/zinc/48/29/45/646482945.db2.gz VRKHEVJUYKGMAQ-PAPYEOQZSA-N 2 0 247.386 1.142 20 0 BDADRP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CCOC1 ZINC000925788944 646484526 /nfs/dbraw/zinc/48/45/26/646484526.db2.gz DOFCLEDZRPOXOR-MROQNXINSA-N 2 0 226.364 1.247 20 0 BDADRP COC[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)C(C)C ZINC000925788948 646485428 /nfs/dbraw/zinc/48/54/28/646485428.db2.gz DTVCVULIYCFJNI-WOPDTQHZSA-N 2 0 214.353 1.103 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cccnc1 ZINC000925791707 646485711 /nfs/dbraw/zinc/48/57/11/646485711.db2.gz RGQGPHUSDLQSDY-MDZLAQPJSA-N 2 0 219.332 1.588 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000925795216 646486968 /nfs/dbraw/zinc/48/69/68/646486968.db2.gz GXENDOXATYFPKF-XQHKEYJVSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCOC[C@H]1C ZINC000925803787 646488322 /nfs/dbraw/zinc/48/83/22/646488322.db2.gz VLJUUZNFNORZBW-FDYHWXHSSA-N 2 0 226.364 1.247 20 0 BDADRP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)C1CCCC1 ZINC000925809431 646490262 /nfs/dbraw/zinc/49/02/62/646490262.db2.gz IBYBYQSWTPLDKC-GFCCVEGCSA-N 2 0 239.407 1.578 20 0 BDADRP CC[C@@H]([NH2+]CCN1CCC([NH3+])CC1)C(C)(C)C ZINC000925813400 646490569 /nfs/dbraw/zinc/49/05/69/646490569.db2.gz VAPYYSDRBDZDFI-CYBMUJFWSA-N 2 0 241.423 1.824 20 0 BDADRP CC[C@H]([NH2+]CCN1CCC([NH3+])CC1)C1CCC1 ZINC000925817169 646494412 /nfs/dbraw/zinc/49/44/12/646494412.db2.gz OASNZKRKZPTYMS-AWEZNQCLSA-N 2 0 239.407 1.578 20 0 BDADRP C[NH+](C)CC[C@H](N[C@H]1CC[NH2+]C1)c1cccnc1 ZINC000925826543 646498688 /nfs/dbraw/zinc/49/86/88/646498688.db2.gz HRRUGTMATWNWTG-KBPBESRZSA-N 2 0 248.374 1.026 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)[C@@H]1CCC[NH2+]1 ZINC000925829325 646499598 /nfs/dbraw/zinc/49/95/98/646499598.db2.gz CDEGCGKJGCRCRC-HPCHECBXSA-N 2 0 236.359 1.308 20 0 BDADRP C[C@@H]1COC[C@@H]1[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925828106 646500227 /nfs/dbraw/zinc/50/02/27/646500227.db2.gz ULRMVAVWHQXOEX-WYUUTHIRSA-N 2 0 226.364 1.517 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000925830842 646500704 /nfs/dbraw/zinc/50/07/04/646500704.db2.gz HTXHJVFGCVSRHC-YVECIDJPSA-N 2 0 224.348 1.415 20 0 BDADRP FC(F)(F)[C@@H]1C[C@H]1C[NH2+]C1CC[NH2+]CC1 ZINC000925832335 646500793 /nfs/dbraw/zinc/50/07/93/646500793.db2.gz OHCWRRHLGSPJNR-IONNQARKSA-N 2 0 222.254 1.526 20 0 BDADRP Cc1cnc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c(C)c1 ZINC000925836192 646504050 /nfs/dbraw/zinc/50/40/50/646504050.db2.gz IUPLPTQRTVYACF-NWDGAFQWSA-N 2 0 221.348 1.914 20 0 BDADRP COC[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)C1CC1 ZINC000925841213 646506091 /nfs/dbraw/zinc/50/60/91/646506091.db2.gz IIZLWZOSKIRRQW-MGPQQGTHSA-N 2 0 238.375 1.533 20 0 BDADRP C[C@H]1C[N@H+](C)C[C@H]1NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925841132 646506383 /nfs/dbraw/zinc/50/63/83/646506383.db2.gz FIRDCNXLOSCPLB-REWJHTLYSA-N 2 0 237.391 1.058 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925840510 646506880 /nfs/dbraw/zinc/50/68/80/646506880.db2.gz AZAQKGVWKFSTMO-FDYHWXHSSA-N 2 0 226.364 1.532 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000925853803 646511234 /nfs/dbraw/zinc/51/12/34/646511234.db2.gz BREBCEJNXPGXNR-VWYCJHECSA-N 2 0 202.342 1.253 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cccc2c1OCC2 ZINC000925873545 646523939 /nfs/dbraw/zinc/52/39/39/646523939.db2.gz BGZLBRGWZRMACP-GHMZBOCLSA-N 2 0 234.343 1.837 20 0 BDADRP CCOCCOCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000925875632 646525566 /nfs/dbraw/zinc/52/55/66/646525566.db2.gz VNHOYERGVGQCKE-QWHCGFSZSA-N 2 0 244.379 1.147 20 0 BDADRP Cc1ccc(NCC[NH2+]C2CCC([NH3+])CC2)nc1 ZINC000925877634 646528147 /nfs/dbraw/zinc/52/81/47/646528147.db2.gz KTBVQYCTQUWRJE-UHFFFAOYSA-N 2 0 248.374 1.661 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCC[NH2+]C1 ZINC000925879346 646529168 /nfs/dbraw/zinc/52/91/68/646529168.db2.gz BUNRQMRJRSLYNZ-LOWDOPEQSA-N 3 0 225.380 1.092 20 0 BDADRP C[C@H](CCCCO)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925881527 646530840 /nfs/dbraw/zinc/53/08/40/646530840.db2.gz CHQQPBQNSSLQEY-UTUOFQBUSA-N 2 0 214.353 1.255 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)c2nccn21 ZINC000925880557 646531026 /nfs/dbraw/zinc/53/10/26/646531026.db2.gz RYSKMUNIISJLRP-WISYIIOYSA-N 2 0 234.347 1.606 20 0 BDADRP Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)C1CC1 ZINC000925881728 646531552 /nfs/dbraw/zinc/53/15/52/646531552.db2.gz FEIHKQPVKAGFAG-WXHSDQCUSA-N 2 0 248.374 1.588 20 0 BDADRP CC(C)CC[NH+]1CCC([NH2+]C2(CO)CC2)CC1 ZINC000926102789 646573578 /nfs/dbraw/zinc/57/35/78/646573578.db2.gz UPQRLOHVTZFUNZ-UHFFFAOYSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@@H]1COC[C@@H]1[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000926169473 646586732 /nfs/dbraw/zinc/58/67/32/646586732.db2.gz FMGSGNZWHCCWOD-OLZOCXBDSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000926255127 646605730 /nfs/dbraw/zinc/60/57/30/646605730.db2.gz PMMTTYDKIUKYAD-ITGUQSILSA-N 2 0 228.380 1.589 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC(C)(C)CO ZINC000926507737 646667559 /nfs/dbraw/zinc/66/75/59/646667559.db2.gz JZGBINGFXZKZRF-FUNVUKJBSA-N 2 0 240.391 1.325 20 0 BDADRP C[C@H]1CSCCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000725661610 711668752 /nfs/dbraw/zinc/66/87/52/711668752.db2.gz MEQGXCSMRVCXRL-QWRGUYRKSA-N 2 0 214.378 1.423 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@H](COC)C(C)C ZINC000721913689 711918050 /nfs/dbraw/zinc/91/80/50/711918050.db2.gz PNDKXAUZESOYRG-CHWSQXEVSA-N 2 0 228.380 1.589 20 0 BDADRP C[NH+](C)C1CC([NH2+][C@H]2CCCSC2)C1 ZINC000701486879 712024329 /nfs/dbraw/zinc/02/43/29/712024329.db2.gz YPDVAUCVNPGUPT-WHXUTIOJSA-N 2 0 214.378 1.564 20 0 BDADRP C[NH+]1CCC(C[NH2+]C[C@@]2(C)CC2(F)F)CC1 ZINC000701636795 712025959 /nfs/dbraw/zinc/02/59/59/712025959.db2.gz XMSUTUAURMAMKF-LLVKDONJSA-N 2 0 232.318 1.963 20 0 BDADRP CC(C)N(C)C[C@H](C)[NH2+]C1CCC(C)(O)CC1 ZINC000703023204 712065401 /nfs/dbraw/zinc/06/54/01/712065401.db2.gz JLDAASASUGJNMD-HSBZDZAISA-N 2 0 242.407 1.998 20 0 BDADRP C[C@@H]([NH3+])C[N@H+](C)C[C@H]1CC(C)(C)OC1(C)C ZINC000709695305 712216061 /nfs/dbraw/zinc/21/60/61/712216061.db2.gz DRPMNHPJKOARAT-GHMZBOCLSA-N 2 0 228.380 1.859 20 0 BDADRP C[N@H+](CCCCCC[NH3+])CCc1cn[nH]c1 ZINC000710728799 712255505 /nfs/dbraw/zinc/25/55/05/712255505.db2.gz DYDAKCUSRXVGIE-UHFFFAOYSA-N 2 0 224.352 1.403 20 0 BDADRP CN(C(=O)C[N@H+](C)CCCCCC[NH3+])C1CC1 ZINC000710751021 712256071 /nfs/dbraw/zinc/25/60/71/712256071.db2.gz QSFJAANIVNVHSQ-UHFFFAOYSA-N 2 0 241.379 1.058 20 0 BDADRP CC[NH+]1CCC(N[C@H]2CCC2(OC)OC)CC1 ZINC000710959106 712268529 /nfs/dbraw/zinc/26/85/29/712268529.db2.gz KTMJSIQTNMQWJU-LBPRGKRZSA-N 2 0 242.363 1.212 20 0 BDADRP C[C@@H]1CCCN(CCOC2CC2)[C@@H]1C[NH3+] ZINC000711681924 712316401 /nfs/dbraw/zinc/31/64/01/712316401.db2.gz OQBGRACFDKPRIN-ZYHUDNBSSA-N 2 0 212.337 1.225 20 0 BDADRP CC[NH+](CC)CCCN1[C@H](C)C[NH2+][C@@H](C)[C@@H]1C ZINC000923435186 712322563 /nfs/dbraw/zinc/32/25/63/712322563.db2.gz FUUUOMCHXSZFNA-RDBSUJKOSA-N 2 0 241.423 1.789 20 0 BDADRP C([C@@H]1CCCC[NH2+]C1)[NH+]1CCSCC1 ZINC000606283049 712351298 /nfs/dbraw/zinc/35/12/98/712351298.db2.gz QINHBIOOFXXTRZ-LLVKDONJSA-N 2 0 214.378 1.425 20 0 BDADRP CC(C)C[NH+]1CCN(C[C@@H]([NH3+])CC(F)F)CC1 ZINC000379795728 712402823 /nfs/dbraw/zinc/40/28/23/712402823.db2.gz CJZVMKHTEIUUAC-NSHDSACASA-N 2 0 249.349 1.243 20 0 BDADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC[C@H](C)[NH+](C)C ZINC000713010701 712451111 /nfs/dbraw/zinc/45/11/11/712451111.db2.gz WBTBFJHYXBNLIR-WDEREUQCSA-N 2 0 243.395 1.062 20 0 BDADRP CC(=O)NC1CC[NH+](CCCCCC[NH3+])CC1 ZINC000379811288 712605837 /nfs/dbraw/zinc/60/58/37/712605837.db2.gz PJLUBPCQLWCVFL-UHFFFAOYSA-N 2 0 241.379 1.106 20 0 BDADRP CC[NH+]1CCN(CCC[NH2+]C(C)C)CC1 ZINC000037480277 712648300 /nfs/dbraw/zinc/64/83/00/712648300.db2.gz YOGKVGCJPBEHPL-UHFFFAOYSA-N 2 0 213.369 1.012 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000037485311 712650951 /nfs/dbraw/zinc/65/09/51/712650951.db2.gz SRLYDIZYWIIABP-QWRGUYRKSA-N 2 0 208.349 1.859 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CC(C)(C)CO1)[C@@H]1CCC[NH2+]1 ZINC000717377075 712652492 /nfs/dbraw/zinc/65/24/92/712652492.db2.gz SNMGQLLHBKEKGU-XQQFMLRXSA-N 2 0 240.391 1.922 20 0 BDADRP CC(C)[NH+]1CCN(CC[NH2+]C(C)(C)C)CC1 ZINC000042302621 712720172 /nfs/dbraw/zinc/72/01/72/712720172.db2.gz MLVBPJCMOXBQQF-UHFFFAOYSA-N 2 0 227.396 1.401 20 0 BDADRP CC[C@H]1C[N@H+](CCc2ccns2)CC[C@@H]1[NH3+] ZINC000719845910 712825671 /nfs/dbraw/zinc/82/56/71/712825671.db2.gz QRERWWNAKNTMOO-JQWIXIFHSA-N 2 0 239.388 1.745 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@H](O)C1)C1CC[NH+](C)CC1 ZINC000720894711 712876675 /nfs/dbraw/zinc/87/66/75/712876675.db2.gz XGMWSHRDHLPRTR-NQBHXWOUSA-N 2 0 226.364 1.077 20 0 BDADRP FC1(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000381519209 710650535 /nfs/dbraw/zinc/65/05/35/710650535.db2.gz VBOUFVJYTNQOCO-UHFFFAOYSA-N 2 0 212.312 1.564 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@H]2C[C@@H](OC)C2)CC[C@H]1[NH3+] ZINC000721910746 710690290 /nfs/dbraw/zinc/69/02/90/710690290.db2.gz YLSAMDBBCMMBOZ-FVCCEPFGSA-N 2 0 226.364 1.471 20 0 BDADRP Cc1ncsc1C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000722515519 710714634 /nfs/dbraw/zinc/71/46/34/710714634.db2.gz PGVICKDBKWQEPB-MWLCHTKSSA-N 2 0 239.388 1.787 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1N[C@H](CO)Cc1ccccc1 ZINC000396715156 710907549 /nfs/dbraw/zinc/90/75/49/710907549.db2.gz SQJYIWCODCKEKO-AEGPPILISA-N 2 0 248.370 1.320 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC(C)(C)[NH3+])[C@H](C)O1 ZINC000384776167 710997163 /nfs/dbraw/zinc/99/71/63/710997163.db2.gz PRDHQRSXJNCZAI-UTLUCORTSA-N 2 0 200.326 1.269 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CSC[C@H]2C)C1 ZINC000389630402 711083939 /nfs/dbraw/zinc/08/39/39/711083939.db2.gz LZWCANVUMKNPJG-UTUOFQBUSA-N 2 0 228.405 1.669 20 0 BDADRP CC(F)(F)CCCN1CCC[C@@H]([NH3+])C1 ZINC000390119470 711105841 /nfs/dbraw/zinc/10/58/41/711105841.db2.gz DVEZSRJQLADFTK-SECBINFHSA-N 2 0 206.280 1.845 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CCO1 ZINC000393953690 711180571 /nfs/dbraw/zinc/18/05/71/711180571.db2.gz BUPFXGKHGMNGMI-MCKGTNQJSA-N 2 0 236.359 1.140 20 0 BDADRP C[C@H](CN[C@H]1CCC[NH2+][C@H]1C)[NH+]1CCCCC1 ZINC000396570259 711355162 /nfs/dbraw/zinc/35/51/62/711355162.db2.gz AJTXQOYHCNFBJT-RDBSUJKOSA-N 2 0 239.407 1.591 20 0 BDADRP CC(C)[NH+](CCN[C@@H]1CCC[NH2+][C@@H]1C)C(C)C ZINC000396583178 711355907 /nfs/dbraw/zinc/35/59/07/711355907.db2.gz GGMMJNGJQHLWQU-ZIAGYGMSSA-N 2 0 241.423 1.835 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000396719564 711366629 /nfs/dbraw/zinc/36/66/29/711366629.db2.gz SNQFEDPXCXLXAJ-AVGNSLFASA-N 2 0 225.380 1.201 20 0 BDADRP COC[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)C1CC1 ZINC000398140074 711403380 /nfs/dbraw/zinc/40/33/80/711403380.db2.gz LZABNYJWGIQBGC-OAHLLOKOSA-N 2 0 248.370 1.702 20 0 BDADRP C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C[C@@H]1CCOC1 ZINC000398861078 711415592 /nfs/dbraw/zinc/41/55/92/711415592.db2.gz XVNMCQVULXXAAX-WOPDTQHZSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@@H]1COCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000399285679 711425438 /nfs/dbraw/zinc/42/54/38/711425438.db2.gz VQXLBMVSEUHDDO-TUAOUCFPSA-N 2 0 212.337 1.082 20 0 BDADRP COC[C@H](C[N@H+](C)CCC[NH3+])C(C)C ZINC000721965366 710695636 /nfs/dbraw/zinc/69/56/36/710695636.db2.gz QFIBQAWPKUYCBT-NSHDSACASA-N 2 0 202.342 1.186 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1NCC[NH+]1CCCCC1 ZINC000396663557 711363674 /nfs/dbraw/zinc/36/36/74/711363674.db2.gz HPNXKUPOVZELRN-STQMWFEESA-N 2 0 225.380 1.202 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+]C[C@]2(C)CCC[NH2+]C2)O1 ZINC000398133830 711401536 /nfs/dbraw/zinc/40/15/36/711401536.db2.gz WSHGMDFUJKYXQB-FRRDWIJNSA-N 2 0 226.364 1.533 20 0 BDADRP CC(C)([NH3+])C[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000723630063 711527110 /nfs/dbraw/zinc/52/71/10/711527110.db2.gz VOZWIIJHDURITF-QJPTWQEYSA-N 2 0 226.364 1.519 20 0 BDADRP CC(C)([NH3+])CC[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000723644066 711529648 /nfs/dbraw/zinc/52/96/48/711529648.db2.gz AKVDQHJFTLFMQJ-YNEHKIRRSA-N 2 0 240.391 1.909 20 0 BDADRP Cc1nc(C)c(C[N@@H+]2CC[C@@H](CC[NH3+])C2)o1 ZINC000723653730 711531067 /nfs/dbraw/zinc/53/10/67/711531067.db2.gz DEACLRCZGPMGAN-LLVKDONJSA-N 2 0 223.320 1.462 20 0 BDADRP Cc1ccc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)nc1 ZINC000723891354 711543769 /nfs/dbraw/zinc/54/37/69/711543769.db2.gz MAENUARGMNYEBT-CHWSQXEVSA-N 2 0 233.359 1.807 20 0 BDADRP COc1cc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)on1 ZINC000723893515 711544268 /nfs/dbraw/zinc/54/42/68/711544268.db2.gz ADHQLDJWDGQHAJ-NXEZZACHSA-N 2 0 239.319 1.100 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1CC[NH3+] ZINC000723900392 711544648 /nfs/dbraw/zinc/54/46/48/711544648.db2.gz BNDLHNQTBBVGTN-JHJVBQTASA-N 2 0 226.364 1.330 20 0 BDADRP COC[C@@H](C)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723899781 711544684 /nfs/dbraw/zinc/54/46/84/711544684.db2.gz MYIDVCCSLUYRFP-QJPTWQEYSA-N 2 0 214.353 1.186 20 0 BDADRP COCCCC[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723901344 711545178 /nfs/dbraw/zinc/54/51/78/711545178.db2.gz FPOPHJMAPVUZKJ-VXGBXAGGSA-N 2 0 214.353 1.330 20 0 BDADRP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)[C@H]1CCCOC1 ZINC000723957062 711547306 /nfs/dbraw/zinc/54/73/06/711547306.db2.gz SYOZPSRLIDWIKG-RFGFWPKPSA-N 2 0 240.391 1.922 20 0 BDADRP C1[NH2+][C@@H]2[C@H]([NH2+][C@@H]3CCCOCC3)[C@H]3C[C@@H]1[C@@H]2C3 ZINC000383108720 711672393 /nfs/dbraw/zinc/67/23/93/711672393.db2.gz DSMIHOMHSKCQBL-VPCRRHSYSA-N 2 0 236.359 1.142 20 0 BDADRP C[N@H+](CCCC(C)(C)C)CCN1CC[NH2+]CC1 ZINC000302256921 711719964 /nfs/dbraw/zinc/71/99/64/711719964.db2.gz DCPOBOSLWGZJSB-UHFFFAOYSA-N 2 0 241.423 1.650 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000722324425 711737613 /nfs/dbraw/zinc/73/76/13/711737613.db2.gz KNQRNLYVYMCPAS-RVMXOQNASA-N 2 0 238.375 1.659 20 0 BDADRP C[NH+](C)[C@H](CN[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000094074643 711738850 /nfs/dbraw/zinc/73/88/50/711738850.db2.gz ULGTVHBKPINNFL-UONOGXRCSA-N 2 0 233.359 1.241 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)[C@@H]1CC[NH2+]C1 ZINC000925773979 711745860 /nfs/dbraw/zinc/74/58/60/711745860.db2.gz QTNSXAAHGNNPDG-XQQFMLRXSA-N 2 0 238.375 1.533 20 0 BDADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1C[NH2+]C[C@H]1C ZINC000925786740 711751303 /nfs/dbraw/zinc/75/13/03/711751303.db2.gz VRKHEVJUYKGMAQ-RJZRQDKASA-N 2 0 247.386 1.142 20 0 BDADRP CC[C@@H](COC)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925875426 711761600 /nfs/dbraw/zinc/76/16/00/711761600.db2.gz HCXFMMCULZZDCC-VWYCJHECSA-N 2 0 200.326 1.128 20 0 BDADRP CC(C)(CO)CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401060712 711793314 /nfs/dbraw/zinc/79/33/14/711793314.db2.gz GESBMYDCPZEGMK-JHJVBQTASA-N 2 0 240.391 1.373 20 0 BDADRP CC(C)(CO)CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401060710 711793315 /nfs/dbraw/zinc/79/33/15/711793315.db2.gz GESBMYDCPZEGMK-FRRDWIJNSA-N 2 0 240.391 1.373 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2scnc2Cl)C1 ZINC000721906296 711813603 /nfs/dbraw/zinc/81/36/03/711813603.db2.gz HSMWMYIHEWVGCI-MRVPVSSYSA-N 2 0 245.779 1.967 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)CC[C@@H]1[NH3+] ZINC000226029428 711830029 /nfs/dbraw/zinc/83/00/29/711830029.db2.gz BPHLACHCHZATFF-VHDGCEQUSA-N 2 0 248.370 1.779 20 0 BDADRP C([NH2+][C@@H]1CCCSC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000061588236 711839115 /nfs/dbraw/zinc/83/91/15/711839115.db2.gz BQIMJNZPEDGVED-NWDGAFQWSA-N 2 0 240.416 1.956 20 0 BDADRP COC[C@H](C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)C(C)C ZINC000721916607 711919043 /nfs/dbraw/zinc/91/90/43/711919043.db2.gz YZBWPSLYBJWGAH-AVGNSLFASA-N 2 0 226.364 1.056 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)C1 ZINC000721918294 711919650 /nfs/dbraw/zinc/91/96/50/711919650.db2.gz DCRXZPULRQKHLJ-WYUUTHIRSA-N 2 0 212.337 1.081 20 0 BDADRP COC[C@@H](C[N@H+](C)CC(C)(C)[NH3+])C(C)C ZINC000721918595 711920032 /nfs/dbraw/zinc/92/00/32/711920032.db2.gz KSCJOGXCMATWQM-LLVKDONJSA-N 2 0 216.369 1.574 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCS[C@H](C)[C@@H]1C ZINC000132514388 711961143 /nfs/dbraw/zinc/96/11/43/711961143.db2.gz VKHAWIJOKKCWGO-KXNHARMFSA-N 2 0 228.405 1.668 20 0 BDADRP C[C@H](C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)CC(F)F ZINC000700029614 711983288 /nfs/dbraw/zinc/98/32/88/711983288.db2.gz NSPROQFMMPIUBT-OPPOILRSSA-N 2 0 244.329 1.864 20 0 BDADRP C[C@H]1C[N@H+](C[C@H]2CCCC[NH2+]C2)C[C@H]1C ZINC000700256380 711988885 /nfs/dbraw/zinc/98/88/85/711988885.db2.gz GVASDLGAKDOHGE-XQQFMLRXSA-N 2 0 210.365 1.964 20 0 BDADRP C[C@H](CC[NH2+][C@H]1CSC[C@H]1C)[NH+](C)C ZINC000700489734 711994423 /nfs/dbraw/zinc/99/44/23/711994423.db2.gz UAXUQIVSNMVJJA-MXWKQRLJSA-N 2 0 216.394 1.668 20 0 BDADRP C[C@@H](CC[NH2+][C@@H]1CSC[C@H]1C)[NH+](C)C ZINC000700489735 711994673 /nfs/dbraw/zinc/99/46/73/711994673.db2.gz UAXUQIVSNMVJJA-OUAUKWLOSA-N 2 0 216.394 1.668 20 0 BDADRP FC1(F)C[C@@H]1CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000701936615 712032737 /nfs/dbraw/zinc/03/27/37/712032737.db2.gz UCZCTFZTFNYXLI-DCHHYWPUSA-N 2 0 242.313 1.618 20 0 BDADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCc1cccnc1)C2 ZINC000702069941 712037111 /nfs/dbraw/zinc/03/71/11/712037111.db2.gz VENTZCPGVBKDLR-UONOGXRCSA-N 2 0 231.343 1.165 20 0 BDADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](CC[C@H]1CCCCO1)C2 ZINC000702111316 712039050 /nfs/dbraw/zinc/03/90/50/712039050.db2.gz PZCAXKMJSLMZQU-BFHYXJOUSA-N 2 0 238.375 1.487 20 0 BDADRP C[N@@H+]1C[C@@H]2C[NH+](CCCCCC[NH3+])C[C@]2(C)C1 ZINC000702252476 712041770 /nfs/dbraw/zinc/04/17/70/712041770.db2.gz RDYQXFZIKHHXGM-KGLIPLIRSA-N 2 0 239.407 1.389 20 0 BDADRP CC1(C)C[C@]1(C)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000702340602 712047715 /nfs/dbraw/zinc/04/77/15/712047715.db2.gz XHWMPXVDQQRERC-TZMCWYRMSA-N 2 0 240.391 1.469 20 0 BDADRP CC1(C)C[C@@]1(C)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000702340600 712048082 /nfs/dbraw/zinc/04/80/82/712048082.db2.gz XHWMPXVDQQRERC-JSGCOSHPSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@@H](C[NH2+]C1CCC(C)(O)CC1)C[NH+](C)C ZINC000702987306 712062599 /nfs/dbraw/zinc/06/25/99/712062599.db2.gz AOMKKEARJOZBCM-HIFPTAJRSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCCC[C@@H](C)C1 ZINC000703287641 712070850 /nfs/dbraw/zinc/07/08/50/712070850.db2.gz ZRTUKDOSEOEEHF-UPJWGTAASA-N 2 0 210.365 1.964 20 0 BDADRP Cc1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)ccn1 ZINC000703503963 712077500 /nfs/dbraw/zinc/07/75/00/712077500.db2.gz RKQPQRUIVIWXOL-CYBMUJFWSA-N 2 0 219.332 1.561 20 0 BDADRP Cc1cnccc1CN1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703614506 712081157 /nfs/dbraw/zinc/08/11/57/712081157.db2.gz ODQMRJORIFCRIA-UONOGXRCSA-N 2 0 231.343 1.431 20 0 BDADRP C[C@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)CO1 ZINC000703816753 712089533 /nfs/dbraw/zinc/08/95/33/712089533.db2.gz NDNJRTUNWIJRLE-WSOGJNRSSA-N 2 0 238.375 1.626 20 0 BDADRP COC1CC(C[N@@H+]2CCC[C@H](CC[NH3+])C2)C1 ZINC000703866541 712091467 /nfs/dbraw/zinc/09/14/67/712091467.db2.gz INUOLFHLWQDZTH-PNESKVBLSA-N 2 0 226.364 1.472 20 0 BDADRP C[C@@H]1COCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000703892406 712092382 /nfs/dbraw/zinc/09/23/82/712092382.db2.gz AQSNINWSWBKJPP-ODWCKFRGSA-N 2 0 224.348 1.238 20 0 BDADRP CC(C)CCCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000703998008 712099285 /nfs/dbraw/zinc/09/92/85/712099285.db2.gz KMKZXMULKQKQSO-BETUJISGSA-N 2 0 210.365 1.964 20 0 BDADRP C[C@H]1CC[C@@H]([NH2+]C2CC([NH+](C)C)C2)CS1 ZINC000706078527 712139546 /nfs/dbraw/zinc/13/95/46/712139546.db2.gz ILMFRUZAEAFTQI-DMOGRIERSA-N 2 0 228.405 1.953 20 0 BDADRP C1CC12CCC[C@@H]2[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000706791618 712156000 /nfs/dbraw/zinc/15/60/00/712156000.db2.gz NHADWWSWJMTBKE-VZKILSJISA-N 2 0 232.371 1.905 20 0 BDADRP C[C@]1(C[N@@H+]2CC[C@@]3(CCOC3)C2)CCC[NH2+]C1 ZINC000707211445 712166940 /nfs/dbraw/zinc/16/69/40/712166940.db2.gz BFNTYUCBULXXIG-UONOGXRCSA-N 2 0 238.375 1.489 20 0 BDADRP CC1(C)CO[C@H](C[N@@H+]2CC[C@@](C)(C[NH3+])C2)C1 ZINC000708323448 712187701 /nfs/dbraw/zinc/18/77/01/712187701.db2.gz NBRMOURLRDHOKP-AAEUAGOBSA-N 2 0 226.364 1.472 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000708711096 712197700 /nfs/dbraw/zinc/19/77/00/712197700.db2.gz FUZMYDKCPGOVGM-UMNXSXEISA-N 2 0 238.375 1.626 20 0 BDADRP COCCC[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709799826 712227320 /nfs/dbraw/zinc/22/73/20/712227320.db2.gz LEXKVJMLDJJZGX-RKDXNWHRSA-N 2 0 240.269 1.092 20 0 BDADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC000709868302 712229786 /nfs/dbraw/zinc/22/97/86/712229786.db2.gz CZWCBEBIPNRENL-XQZGEAEESA-N 2 0 220.360 1.844 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2O)C12CCC2 ZINC000710727731 712255681 /nfs/dbraw/zinc/25/56/81/712255681.db2.gz OYFNWXMBSCAGOF-WISYIIOYSA-N 2 0 224.348 1.149 20 0 BDADRP C[C@@H]1COC[C@@H]1[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000710878217 712260674 /nfs/dbraw/zinc/26/06/74/712260674.db2.gz YZDFCQHKTVCPAE-PWSUYJOCSA-N 2 0 240.391 1.920 20 0 BDADRP C[NH+](C)C[C@@](C)(O)C[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000710895842 712261976 /nfs/dbraw/zinc/26/19/76/712261976.db2.gz HKSKPZAPHCLTQJ-DGAVXFQQSA-N 2 0 240.391 1.467 20 0 BDADRP COC1(OC)CC[C@H]1NCCC[N@H+](C)C(C)C ZINC000710988670 712272176 /nfs/dbraw/zinc/27/21/76/712272176.db2.gz MLYCZHZIUSCKKF-GFCCVEGCSA-N 2 0 244.379 1.458 20 0 BDADRP FC[C@@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000711417786 712299480 /nfs/dbraw/zinc/29/94/80/712299480.db2.gz UCOKXKJHDHMZPS-QWRGUYRKSA-N 2 0 200.301 1.277 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000711428559 712299587 /nfs/dbraw/zinc/29/95/87/712299587.db2.gz ZLWMXYMFTRZHHW-UTUOFQBUSA-N 2 0 238.375 1.804 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000711471733 712303362 /nfs/dbraw/zinc/30/33/62/712303362.db2.gz UWDUGUXLWWKJGH-VXGBXAGGSA-N 2 0 224.348 1.369 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000711471731 712303406 /nfs/dbraw/zinc/30/34/06/712303406.db2.gz UWDUGUXLWWKJGH-RYUDHWBXSA-N 2 0 224.348 1.369 20 0 BDADRP C[C@H]1C[C@H](C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)CC[NH2+]1 ZINC000711591284 712311275 /nfs/dbraw/zinc/31/12/75/712311275.db2.gz WARXMVKJDXSELS-QNWHQSFQSA-N 2 0 240.416 1.669 20 0 BDADRP C1=C[C@H](C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000711683777 712317513 /nfs/dbraw/zinc/31/75/13/712317513.db2.gz FLBRLSZSNZBIJV-SNIKSBKOSA-N 2 0 218.344 1.539 20 0 BDADRP C[C@H]1CN[C@@H](C)[C@H](C)[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000923435141 712322163 /nfs/dbraw/zinc/32/21/63/712322163.db2.gz DRELJIDAVBFNOJ-CYDGBPFRSA-N 2 0 225.380 1.057 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923479441 712334202 /nfs/dbraw/zinc/33/42/02/712334202.db2.gz OXGISVTZDVYDKM-SRVKXCTJSA-N 2 0 212.337 1.082 20 0 BDADRP Cc1ccc([C@H](O)C[N@@H+]2CC[C@@H](CC[NH3+])C2)cc1 ZINC000923480366 712335225 /nfs/dbraw/zinc/33/52/25/712335225.db2.gz XUXLUVCSXBZRMU-UKRRQHHQSA-N 2 0 248.370 1.699 20 0 BDADRP C[NH+]1CCC(C[NH2+]CCC(C)(F)F)CC1 ZINC000379277736 712372486 /nfs/dbraw/zinc/37/24/86/712372486.db2.gz AZJHHIJDYUNEGG-UHFFFAOYSA-N 2 0 220.307 1.963 20 0 BDADRP CC(C)C[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000379704366 712392652 /nfs/dbraw/zinc/39/26/52/712392652.db2.gz RYBKXISKIMWPON-GFCCVEGCSA-N 2 0 214.353 1.031 20 0 BDADRP CCN1CC[C@@H]1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000712581740 712433476 /nfs/dbraw/zinc/43/34/76/712433476.db2.gz NSJVOPDBIAWRDN-MGPQQGTHSA-N 2 0 237.391 1.297 20 0 BDADRP COCC(C)(C)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000712661897 712439531 /nfs/dbraw/zinc/43/95/31/712439531.db2.gz BVLJDCONQYUXMG-NWDGAFQWSA-N 2 0 228.380 1.576 20 0 BDADRP Cn1cc(CN2CC[NH2+]CCC23CCC3)cn1 ZINC000713204580 712454783 /nfs/dbraw/zinc/45/47/83/712454783.db2.gz PEFNGMODKXIWBO-UHFFFAOYSA-N 2 0 234.347 1.138 20 0 BDADRP C[C@@]1(C[NH3+])CCN(CCCOC(F)(F)F)C1 ZINC000713398396 712459229 /nfs/dbraw/zinc/45/92/29/712459229.db2.gz JXBYOWNORPZUGJ-VIFPVBQESA-N 2 0 240.269 1.584 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@H]2CCC(C)(C)CO2)C1 ZINC000713584359 712465971 /nfs/dbraw/zinc/46/59/71/712465971.db2.gz DQEYHUSJULYXJT-YNEHKIRRSA-N 2 0 240.391 1.861 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H]2CCC(C)(C)CO2)C1 ZINC000713585670 712465964 /nfs/dbraw/zinc/46/59/64/712465964.db2.gz KSMLQNWNSIQRDJ-STQMWFEESA-N 2 0 240.391 1.733 20 0 BDADRP CC1(C)CC[C@H](C[N@@H+]2CCC[C@H](C[NH3+])C2)OC1 ZINC000713586206 712466020 /nfs/dbraw/zinc/46/60/20/712466020.db2.gz MEPMXBGKDQRULX-CHWSQXEVSA-N 2 0 240.391 1.862 20 0 BDADRP C[N@H+](CCC[NH3+])C[C@H]1CCC(C)(C)CO1 ZINC000713589668 712466169 /nfs/dbraw/zinc/46/61/69/712466169.db2.gz AZUGECGEXIQHBZ-LLVKDONJSA-N 2 0 214.353 1.472 20 0 BDADRP C=C/C=C/CC[NH+]1CCC([NH2+]CCO)CC1 ZINC000713757060 712471847 /nfs/dbraw/zinc/47/18/47/712471847.db2.gz DLFOBGCFGQFFTD-ONEGZZNKSA-N 2 0 224.348 1.165 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@H]2CCCC(C)(C)O2)C1 ZINC000714376441 712484994 /nfs/dbraw/zinc/48/49/94/712484994.db2.gz ZQGWNKULACRXAQ-QWHCGFSZSA-N 2 0 240.391 1.875 20 0 BDADRP C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)[C@@H]1C[C@H]1C1CC1 ZINC000714906490 712499027 /nfs/dbraw/zinc/49/90/27/712499027.db2.gz IFAQCISDUFCEKY-RFGFWPKPSA-N 2 0 220.360 1.574 20 0 BDADRP C([C@@H]1CC[C@H](C2CC2)O1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000715492807 712523348 /nfs/dbraw/zinc/52/33/48/712523348.db2.gz AJNBDOILBMXFHR-YIYPIFLZSA-N 2 0 236.359 1.095 20 0 BDADRP Cc1cc(N[C@H]2CCC[C@H]([NH+](C)C)C2)nc(N)[nH+]1 ZINC000715570001 712529294 /nfs/dbraw/zinc/52/92/94/712529294.db2.gz JMFVPPFNGVIBMO-QWRGUYRKSA-N 2 0 249.362 1.652 20 0 BDADRP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000716612292 712567572 /nfs/dbraw/zinc/56/75/72/712567572.db2.gz YXGGXGWZNUCSCB-VKAPNILASA-N 2 0 246.398 1.865 20 0 BDADRP C[C@H]([NH2+]CCC(C)(C)[NH3+])c1ccccn1 ZINC000379900227 712622076 /nfs/dbraw/zinc/62/20/76/712622076.db2.gz IBRYPBGEJYHUNU-JTQLQIEISA-N 2 0 207.321 1.860 20 0 BDADRP C[NH+](C)C1CCN(CC[NH2+]CC2CC2)CC1 ZINC000037478641 712648131 /nfs/dbraw/zinc/64/81/31/712648131.db2.gz NZYHPVOROLZGAB-UHFFFAOYSA-N 2 0 225.380 1.012 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CC(C)(C)CO1)[C@H]1CCC[NH2+]1 ZINC000717377073 712652531 /nfs/dbraw/zinc/65/25/31/712652531.db2.gz SNMGQLLHBKEKGU-RWMBFGLXSA-N 2 0 240.391 1.922 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC000717614029 712662526 /nfs/dbraw/zinc/66/25/26/712662526.db2.gz LCLSFRBJQFLHEE-HBNTYKKESA-N 2 0 226.364 1.517 20 0 BDADRP CN1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H]1CC[C@H]([NH3+])C1 ZINC000717955160 712734800 /nfs/dbraw/zinc/73/48/00/712734800.db2.gz YQQSQUYPRTXUGH-ZOBORPQBSA-N 3 0 237.391 1.282 20 0 BDADRP COC[C@H]1CCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000718000877 712735676 /nfs/dbraw/zinc/73/56/76/712735676.db2.gz VAPKPSRFLNVXPC-GRYCIOLGSA-N 2 0 212.337 1.225 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C1CCC=CCC1 ZINC000718094309 712742381 /nfs/dbraw/zinc/74/23/81/712742381.db2.gz UADHKTLBCUVRJK-ZDUSSCGKSA-N 2 0 226.364 1.829 20 0 BDADRP C[NH2+]CCC[N@H+](C)CCCC(C)(F)F ZINC000718721608 712778625 /nfs/dbraw/zinc/77/86/25/712778625.db2.gz INWIPGIHUKUMCT-UHFFFAOYSA-N 2 0 208.296 1.963 20 0 BDADRP COCC(C)(C)CC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000718793705 712784021 /nfs/dbraw/zinc/78/40/21/712784021.db2.gz XCCVMNBDENQOEB-NWDGAFQWSA-N 2 0 228.380 1.766 20 0 BDADRP COCC(C)(C)CC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000718793702 712784145 /nfs/dbraw/zinc/78/41/45/712784145.db2.gz XCCVMNBDENQOEB-NEPJUHHUSA-N 2 0 228.380 1.766 20 0 BDADRP Cc1[nH+]ccc(N[C@@H]2CC[N@H+](C)[C@H]2C)c1Cl ZINC000719569212 712809820 /nfs/dbraw/zinc/80/98/20/712809820.db2.gz HQHNCXFHXVLFCG-VHSXEESVSA-N 2 0 239.750 1.970 20 0 BDADRP C[C@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000719667150 712818411 /nfs/dbraw/zinc/81/84/11/712818411.db2.gz KWWCWQHQMALNJF-NWDGAFQWSA-N 2 0 212.337 1.097 20 0 BDADRP C[NH+](C)[C@@H]1CCCN(C[C@]2(C)CCC[NH2+]C2)C1 ZINC000250815413 712834580 /nfs/dbraw/zinc/83/45/80/712834580.db2.gz WRCBAMMXBPIVEL-ZIAGYGMSSA-N 2 0 239.407 1.402 20 0 BDADRP CC1(C[N@@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000720793914 712865700 /nfs/dbraw/zinc/86/57/00/712865700.db2.gz KWPBKDHTCNBNHD-DTWKUNHWSA-N 2 0 236.281 1.856 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C1 ZINC000720868948 712871868 /nfs/dbraw/zinc/87/18/68/712871868.db2.gz HTPKYNMZRZWLME-XUXIUFHCSA-N 2 0 238.375 1.485 20 0 BDADRP C([C@H]1C[C@H]2CCC[C@@H]2O1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000720866844 712872250 /nfs/dbraw/zinc/87/22/50/712872250.db2.gz DVDTVBRUSAZUDS-RGDJUOJXSA-N 2 0 236.359 1.095 20 0 BDADRP C[NH+](C)Cc1ccnc(N2CC[C@@H]3[NH2+]CC[C@H]32)c1 ZINC001164412782 718876499 /nfs/dbraw/zinc/87/64/99/718876499.db2.gz YZNPSUFLQRZMDU-QWHCGFSZSA-N 2 0 246.358 1.084 20 0 BDADRP C[C@@H]1C[C@H]([N@H+](C)C2CCC([NH3+])CC2)CCO1 ZINC000085869244 958528520 /nfs/dbraw/zinc/52/85/20/958528520.db2.gz RKCVLRSEWOMHHI-IKWCTNDRSA-N 2 0 226.364 1.756 20 0 BDADRP C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3[C@H](C2)C3(C)C)C[NH2+]1 ZINC000399064675 958498560 /nfs/dbraw/zinc/49/85/60/958498560.db2.gz BBPHQTBGUNTZJG-KXNHARMFSA-N 2 0 208.349 1.715 20 0 BDADRP CO[C@@H]1CC[C@@H]1[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000724151856 958740346 /nfs/dbraw/zinc/74/03/46/958740346.db2.gz JXISMOGLYNRYKA-NOOOWODRSA-N 2 0 212.337 1.223 20 0 BDADRP COCC[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925548142 960317802 /nfs/dbraw/zinc/31/78/02/960317802.db2.gz AAIZNGWLBAPLGI-SDDRHHMPSA-N 2 0 228.380 1.907 20 0 BDADRP CC[C@@H](CNC(=O)CCC[NH+](C)C)[NH2+]C(C)C ZINC001267817427 960393197 /nfs/dbraw/zinc/39/31/97/960393197.db2.gz LAQGKQHLDRKEPX-LBPRGKRZSA-N 2 0 243.395 1.221 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H](C)C2)CC[NH2+]1 ZINC000709265342 960464708 /nfs/dbraw/zinc/46/47/08/960464708.db2.gz MGJWVRZSRZLTNS-DDHJBXDOSA-N 2 0 212.337 1.284 20 0 BDADRP COC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000710771868 962466070 /nfs/dbraw/zinc/46/60/70/962466070.db2.gz LZEYPZVVIZOIJT-FOSCPWQOSA-N 2 0 224.348 1.380 20 0 BDADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N(C(C)C)C(C)C ZINC001157458150 963617525 /nfs/dbraw/zinc/61/75/25/963617525.db2.gz BBIYKLQIAMODQO-LBPRGKRZSA-N 2 0 243.395 1.349 20 0 BDADRP C[C@@H]1[C@H](CO)CC[N@@H+]1C1CCC([NH+](C)C)CC1 ZINC001168315509 964426810 /nfs/dbraw/zinc/42/68/10/964426810.db2.gz XDRIPPCMPMCWPR-KBHBFKLGSA-N 2 0 240.391 1.562 20 0 BDADRP CO[C@H](C[NH2+]CC[C@@H](C)[NH+](C)C)C1CC1 ZINC000697877179 964604534 /nfs/dbraw/zinc/60/45/34/964604534.db2.gz BBNMJJUTDKYSRG-ZYHUDNBSSA-N 2 0 214.353 1.341 20 0 BDADRP C[N@@H+]1CCCC[C@H]1CO[C@@H]1CCC[NH+](C)CC1 ZINC001224703173 964892461 /nfs/dbraw/zinc/89/24/61/964892461.db2.gz QUKZZFPQOUQZTK-UONOGXRCSA-N 2 0 240.391 1.972 20 0 BDADRP C[N@H+](CC1CC[NH2+]CC1)[C@H]1CCCC[C@@H]1N ZINC001236210348 966309021 /nfs/dbraw/zinc/30/90/21/966309021.db2.gz CDJLSRFWNFBDHS-STQMWFEESA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H]2C(C)(C)O)C[NH2+]1 ZINC000707557871 967235672 /nfs/dbraw/zinc/23/56/72/967235672.db2.gz LKWNXFDHKHEMQP-UTUOFQBUSA-N 2 0 226.364 1.362 20 0 BDADRP C[C@H]1CCN(Cc2csnn2)CC[C@@H]1C[NH3+] ZINC001205627119 967735305 /nfs/dbraw/zinc/73/53/05/967735305.db2.gz MWISUDPDQWKZMG-VHSXEESVSA-N 2 0 240.376 1.345 20 0 BDADRP C1=C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000698221004 968245410 /nfs/dbraw/zinc/24/54/10/968245410.db2.gz OCBIJQQTPYPDKH-ZDEQEGDKSA-N 2 0 206.333 1.683 20 0 BDADRP CCC(CC)NC(=[NH2+])NCCC[NH+]1CCCC1 ZINC001118920088 968251987 /nfs/dbraw/zinc/25/19/87/968251987.db2.gz KOXIUEUVBVUFCW-UHFFFAOYSA-N 2 0 240.395 1.775 20 0 BDADRP C[C@H]1CN(CCC[NH2+]C2CCCCC2)CC[NH2+]1 ZINC001206381416 968269062 /nfs/dbraw/zinc/26/90/62/968269062.db2.gz YCXPZIASZMSQMD-ZDUSSCGKSA-N 2 0 239.407 1.593 20 0 BDADRP C[C@@H]1C[C@@H]([N@H+](C)C2CCC([NH3+])CC2)CCO1 ZINC000085869250 968506064 /nfs/dbraw/zinc/50/60/64/968506064.db2.gz RKCVLRSEWOMHHI-XVSSEFHLSA-N 2 0 226.364 1.756 20 0 BDADRP CCCC[C@H](O)C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001252087004 968507986 /nfs/dbraw/zinc/50/79/86/968507986.db2.gz VOVBGFTVQBGEOU-RDBSUJKOSA-N 2 0 240.391 1.421 20 0 BDADRP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](C)C(=O)OC ZINC001276517948 968698360 /nfs/dbraw/zinc/69/83/60/968698360.db2.gz DFRPNPKHENMKHT-YEJSDXFRSA-N 2 0 240.347 1.010 20 0 BDADRP COCC1CC[NH+](CC(C)(C)C[NH+](C)C)CC1 ZINC001207274752 968708078 /nfs/dbraw/zinc/70/80/78/968708078.db2.gz GAKVJPKXLKQFNE-UHFFFAOYSA-N 2 0 242.407 1.933 20 0 BDADRP C[NH+](C)CC(C)(C)C[NH+]1CCC(O)CC1 ZINC001207276480 968710542 /nfs/dbraw/zinc/71/05/42/968710542.db2.gz XTPZPZOPURCSNN-UHFFFAOYSA-N 2 0 214.353 1.031 20 0 BDADRP C[NH+](C)CC(C)(C)C[NH+]1CCC2(CCO2)CC1 ZINC001207282786 968717787 /nfs/dbraw/zinc/71/77/87/968717787.db2.gz OHQYNILFRQDFLI-UHFFFAOYSA-N 2 0 240.391 1.829 20 0 BDADRP COC[C@H]1CCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC001207391880 968747971 /nfs/dbraw/zinc/74/79/71/968747971.db2.gz PYMNOSWZEZCRSP-CYBMUJFWSA-N 2 0 226.364 1.439 20 0 BDADRP CCC[NH+]1C[C@H]2C[NH+](CC3(C)COC3)C[C@@H]2C1 ZINC001207800394 968890516 /nfs/dbraw/zinc/89/05/16/968890516.db2.gz QDLHEMPTTCKWOU-STQMWFEESA-N 2 0 238.375 1.297 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+]CC2CC[NH+](C)CC2)C1 ZINC000714686958 968914547 /nfs/dbraw/zinc/91/45/47/968914547.db2.gz ICGGRJFHKPRMFC-JOCQHMNTSA-N 2 0 226.364 1.343 20 0 BDADRP CCC[C@H](O)C[NH+]1C[C@H]2C[NH+](CC)C[C@@H]2C1 ZINC001252785161 968961053 /nfs/dbraw/zinc/96/10/53/968961053.db2.gz AOPUMMPKOLAQEX-UPJWGTAASA-N 2 0 226.364 1.031 20 0 BDADRP C[NH+](C)C1CC[NH+](CC2(C)CCOCC2)CC1 ZINC001207964046 968963016 /nfs/dbraw/zinc/96/30/16/968963016.db2.gz MJSADVRGSBSZRV-UHFFFAOYSA-N 2 0 240.391 1.829 20 0 BDADRP CC[N@H+](CCCn1cccn1)CCC[NH+](C)C ZINC001208083465 968991591 /nfs/dbraw/zinc/99/15/91/968991591.db2.gz IBTDGKGGGIMHGX-UHFFFAOYSA-N 2 0 238.379 1.547 20 0 BDADRP C[NH+]1CCC(C)(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)CC1 ZINC001208106957 969003268 /nfs/dbraw/zinc/00/32/68/969003268.db2.gz HXFFWFCXMJPKLY-NWDGAFQWSA-N 2 0 244.354 1.123 20 0 BDADRP CC[NH+](CC)C[C@@H](O)C[NH2+][C@@H]1C[C@H]2CC[C@@H]1C2 ZINC001253206357 969112345 /nfs/dbraw/zinc/11/23/45/969112345.db2.gz MWIREIRGBBYFDK-RFQIPJPRSA-N 2 0 240.391 1.467 20 0 BDADRP CC[N@H+](CC1CC[NH+](CC)CC1)C1COC1 ZINC001208597092 969151020 /nfs/dbraw/zinc/15/10/20/969151020.db2.gz CHODANWYHFDFBR-UHFFFAOYSA-N 2 0 226.364 1.439 20 0 BDADRP CC[NH+]1CCC(C[NH+]2CC(OC)C2)CC1 ZINC001208595184 969151667 /nfs/dbraw/zinc/15/16/67/969151667.db2.gz RHOAADDEJMYUDJ-UHFFFAOYSA-N 2 0 212.337 1.049 20 0 BDADRP C[C@H]1CC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)[C@@H](C)C1 ZINC001253393499 969154279 /nfs/dbraw/zinc/15/42/79/969154279.db2.gz VEODHJWWMRSXAL-RWMBFGLXSA-N 2 0 242.407 1.856 20 0 BDADRP CO[C@@H]1CC[N@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208607596 969161721 /nfs/dbraw/zinc/16/17/21/969161721.db2.gz LPXPEJFECMWVDU-NWDGAFQWSA-N 2 0 212.337 1.049 20 0 BDADRP CCCCC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC001253562498 969234490 /nfs/dbraw/zinc/23/44/90/969234490.db2.gz DMPHZZITQXSBRS-HZSPNIEDSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@H]1C[N@H+](Cc2c[nH]cn2)CCC[C@@H]1C[NH3+] ZINC001205996058 969296922 /nfs/dbraw/zinc/29/69/22/969296922.db2.gz UIIZMODHSHFHSR-WDEREUQCSA-N 2 0 222.336 1.217 20 0 BDADRP CC[N@H+]1C[C@@H]2C[NH+](C[C@@H](O)C(C)(C)C)C[C@@H]2C1 ZINC001253732190 969351612 /nfs/dbraw/zinc/35/16/12/969351612.db2.gz FZODLLNEFVVUHR-FRRDWIJNSA-N 2 0 240.391 1.277 20 0 BDADRP CCCC[C@H]([NH2+][C@@H]1CCC[N@H+](C)CC1)C(N)=O ZINC001254511476 969681370 /nfs/dbraw/zinc/68/13/70/969681370.db2.gz AMLHOTKIMLJTGW-NEPJUHHUSA-N 2 0 241.379 1.104 20 0 BDADRP COC[C@@H]1CCC[N@@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254517834 969702271 /nfs/dbraw/zinc/70/22/71/969702271.db2.gz ZAJFAUBPJUXLDG-OLZOCXBDSA-N 2 0 226.364 1.582 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH+]2CC3CC(C3)C2)CC1 ZINC001254530766 969726829 /nfs/dbraw/zinc/72/68/29/969726829.db2.gz HDKABADKUJVJOM-BPCQOVAHSA-N 2 0 208.349 1.813 20 0 BDADRP C[C@@H]1CC[C@@H]([NH+]2CCN(CCCC[NH3+])CC2)C1 ZINC001170121126 970354874 /nfs/dbraw/zinc/35/48/74/970354874.db2.gz LKEOXRQDELBLKK-ZIAGYGMSSA-N 2 0 239.407 1.532 20 0 BDADRP CC[NH+](CC)CC[C@H](C)n1cc(C[NH3+])cn1 ZINC001255946766 970565921 /nfs/dbraw/zinc/56/59/21/970565921.db2.gz ZFIUJYCUUFGMJN-NSHDSACASA-N 2 0 224.352 1.635 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]CCCCO ZINC001255940142 970570173 /nfs/dbraw/zinc/57/01/73/970570173.db2.gz QOGYOBUSYMIIPL-GFCCVEGCSA-N 2 0 216.369 1.469 20 0 BDADRP CCOCC[NH2+][C@H](C)CC[NH+](CC)CC ZINC001255940127 970572430 /nfs/dbraw/zinc/57/24/30/970572430.db2.gz PRLAXSWIWKRBIS-GFCCVEGCSA-N 2 0 216.369 1.733 20 0 BDADRP CC[NH+](CC)CC[C@H](C)n1ccc(CC[NH3+])n1 ZINC001255942178 970576719 /nfs/dbraw/zinc/57/67/19/970576719.db2.gz CDHMAHHCKOHUTR-LBPRGKRZSA-N 2 0 238.379 1.677 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N1CC[C@@H]([NH3+])C1 ZINC001255942826 970578872 /nfs/dbraw/zinc/57/88/72/970578872.db2.gz INFBSZCXTWGBIQ-NWDGAFQWSA-N 2 0 213.369 1.140 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)n1ccc(CC[NH3+])n1 ZINC001255942177 970578513 /nfs/dbraw/zinc/57/85/13/970578513.db2.gz CDHMAHHCKOHUTR-GFCCVEGCSA-N 2 0 238.379 1.677 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+][C@H]1C[C@H](O)C1 ZINC001255946387 970582042 /nfs/dbraw/zinc/58/20/42/970582042.db2.gz UJECYKACHROAJI-SRVKXCTJSA-N 2 0 214.353 1.220 20 0 BDADRP C[C@@H](CCCCO)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000400388121 970584905 /nfs/dbraw/zinc/58/49/05/970584905.db2.gz MJZYSRGZYNNCMB-RYUDHWBXSA-N 2 0 228.380 1.515 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N1CC[NH+](CC)CC1 ZINC001255955958 970593931 /nfs/dbraw/zinc/59/39/31/970593931.db2.gz XXIFNPATSBSMDU-AWEZNQCLSA-N 2 0 241.423 1.744 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC001255957080 970594497 /nfs/dbraw/zinc/59/44/97/970594497.db2.gz ORXOGGABIHNRAR-RWMBFGLXSA-N 2 0 228.380 1.419 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[N@H+](C)CC1COC1 ZINC001255965146 970599716 /nfs/dbraw/zinc/59/97/16/970599716.db2.gz YIRXATBGMHEWCE-LBPRGKRZSA-N 2 0 228.380 1.685 20 0 BDADRP CCCc1cc(C[NH3+])nn1C1CC[NH+](C)CC1 ZINC001256200643 970697069 /nfs/dbraw/zinc/69/70/69/970697069.db2.gz ZGSPUKDGIHPMKC-UHFFFAOYSA-N 2 0 236.363 1.561 20 0 BDADRP CC[NH+](CC)C1CCC(NOCC[NH3+])CC1 ZINC001173101951 975021614 /nfs/dbraw/zinc/02/16/14/975021614.db2.gz QPCDLCXSDAMSES-UHFFFAOYSA-N 2 0 229.368 1.119 20 0 BDADRP CC[NH+](CC)C1CCC([NH2+][C@H](C)CCO)CC1 ZINC001173101627 975021923 /nfs/dbraw/zinc/02/19/23/975021923.db2.gz LSHFAFFTJVVTAA-IYXRBSQSSA-N 2 0 242.407 2.000 20 0 BDADRP CC[NH+](CC)C1CCC([NH2+]C2COC2)CC1 ZINC001173105657 975027055 /nfs/dbraw/zinc/02/70/55/975027055.db2.gz LQMLQSZAVPEVFM-UHFFFAOYSA-N 2 0 226.364 1.628 20 0 BDADRP CCSC[C@H](C)[NH2+]CCSCC[NH3+] ZINC001173299473 975190967 /nfs/dbraw/zinc/19/09/67/975190967.db2.gz RNWXMLOSFPSNOO-VIFPVBQESA-N 2 0 222.423 1.410 20 0 BDADRP CCN1CC[C@H]([NH2+]CCCC[NH+](CC)CC)C1 ZINC001173349306 975291198 /nfs/dbraw/zinc/29/11/98/975291198.db2.gz FHZNIXSKLVAJSH-AWEZNQCLSA-N 2 0 241.423 1.792 20 0 BDADRP CCCC[N@H+](CC)CCN[C@@H]1CC[NH+](CC)C1 ZINC001173351011 975296620 /nfs/dbraw/zinc/29/66/20/975296620.db2.gz RVEORPKERGVFMA-CQSZACIVSA-N 2 0 241.423 1.792 20 0 BDADRP CC[N@@H+]1CC[C@H](Nc2cccc(C[NH3+])c2)C1 ZINC001173350579 975297610 /nfs/dbraw/zinc/29/76/10/975297610.db2.gz QKQHLRFSGHOKIR-ZDUSSCGKSA-N 2 0 219.332 1.651 20 0 BDADRP CC[N@@H+]1CC[C@@H](N2CCC[C@H]([NH+](C)C)C2)C1 ZINC001173362971 975339868 /nfs/dbraw/zinc/33/98/68/975339868.db2.gz KLSBEZLUVPXINK-QWHCGFSZSA-N 2 0 225.380 1.107 20 0 BDADRP CCc1cc(C[NH2+]CC2CC[NH+](C)CC2)[nH]n1 ZINC001333679635 975973386 /nfs/dbraw/zinc/97/33/86/975973386.db2.gz HWQUHXINIXEMEM-UHFFFAOYSA-N 2 0 236.363 1.404 20 0 BDADRP C[C@H]([NH3+])CN1CCC(C(C)(C)C[NH3+])CC1 ZINC001334737919 976609041 /nfs/dbraw/zinc/60/90/41/976609041.db2.gz LUYIEIKAAUBWOI-JTQLQIEISA-N 2 0 213.369 1.031 20 0 BDADRP C[C@@]1(C2CC2)COCCN1C[C@H]1CCC[NH2+]C1 ZINC001336096233 977502548 /nfs/dbraw/zinc/50/25/48/977502548.db2.gz RAYKXPDMHKYOHT-JSGCOSHPSA-N 2 0 238.375 1.487 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])C[NH2+]CCCC[NH3+] ZINC001336117983 977517555 /nfs/dbraw/zinc/51/75/55/977517555.db2.gz TXOTVCFVRZICBH-LLVKDONJSA-N 3 0 215.385 1.469 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@H+](CCC2C[NH2+]C2)CC1 ZINC001206294832 978298383 /nfs/dbraw/zinc/29/83/83/978298383.db2.gz KHTJDKWDZNBADN-CYBMUJFWSA-N 3 0 225.380 1.047 20 0 BDADRP CS[C@@H]1CN(c2cc[nH+]cc2)C[C@H]1[NH+](C)C ZINC001337710698 978470147 /nfs/dbraw/zinc/47/01/47/978470147.db2.gz WYRHURLAWYSPJA-VXGBXAGGSA-N 2 0 237.372 1.563 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)CCO1 ZINC000069890422 978785658 /nfs/dbraw/zinc/78/56/58/978785658.db2.gz NOVIOXLJPNQALI-AVGNSLFASA-N 2 0 226.364 1.485 20 0 BDADRP CC[C@@H]1C[C@H]([N@@H+]2CCC[C@H]([NH3+])C2)CCO1 ZINC000069894041 978787586 /nfs/dbraw/zinc/78/75/86/978787586.db2.gz BTCQMCWYWVDJKQ-QJPTWQEYSA-N 2 0 212.337 1.367 20 0 BDADRP OCCCC[N@@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235041441 978957150 /nfs/dbraw/zinc/95/71/50/978957150.db2.gz QIKUSFZRZWPUCS-CYBMUJFWSA-N 2 0 226.364 1.367 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235422802 979041958 /nfs/dbraw/zinc/04/19/58/979041958.db2.gz DRDVCCMZTYEAFB-KBPBESRZSA-N 3 0 239.407 1.437 20 0 BDADRP COC[C@@]12CCC[C@@H]1C[N@H+](C[C@H](C)[NH3+])C2 ZINC001235570949 979096304 /nfs/dbraw/zinc/09/63/04/979096304.db2.gz VJIHPYLMLACCQJ-TUAOUCFPSA-N 2 0 212.337 1.082 20 0 BDADRP [NH3+][C@@]12CC[C@@H]1C[N@H+](CCC1CCOCC1)C2 ZINC001235978171 979251868 /nfs/dbraw/zinc/25/18/68/979251868.db2.gz JAUWTTRUQSGYHU-CHWSQXEVSA-N 2 0 224.348 1.226 20 0 BDADRP CC(C)N(CCCCCC[NH3+])[C@@H]1CC[NH2+]C1 ZINC001236527613 979621285 /nfs/dbraw/zinc/62/12/85/979621285.db2.gz PHEFKJZSVUBUID-CYBMUJFWSA-N 2 0 227.396 1.578 20 0 BDADRP C[C@]1(C[NH3+])CCCCN(C[C@@H]2CCCC[NH2+]2)C1 ZINC001206541799 979654377 /nfs/dbraw/zinc/65/43/77/979654377.db2.gz KPVDKDIUBKSSHL-UONOGXRCSA-N 2 0 239.407 1.579 20 0 BDADRP C[C@H](CO)C[NH+]1CCC2(CC[N@H+](C)C2)CC1 ZINC001277995027 979687185 /nfs/dbraw/zinc/68/71/85/979687185.db2.gz SPLDTACALUWMEQ-LBPRGKRZSA-N 2 0 226.364 1.033 20 0 BDADRP CC1(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)CC[NH2+]CC1 ZINC001205255816 979737733 /nfs/dbraw/zinc/73/77/33/979737733.db2.gz LGTIDBYKCAYQIN-CQSZACIVSA-N 3 0 239.407 1.579 20 0 BDADRP CC(C)[C@H]([NH3+])CCNC(=O)C[C@H]([NH3+])C(C)(C)C ZINC001342250897 979732624 /nfs/dbraw/zinc/73/26/24/979732624.db2.gz MAVTXUVHDSIUBM-MNOVXSKESA-N 2 0 243.395 1.240 20 0 BDADRP [NH3+]CCCCCCN1CC(F)(F)CC[C@@H]1C[NH3+] ZINC001237120935 979820630 /nfs/dbraw/zinc/82/06/30/979820630.db2.gz QUEOOLXORVDWGD-LLVKDONJSA-N 2 0 249.349 1.564 20 0 BDADRP [NH3+]CC1(Cc2ccccc2)CC[NH2+]CC1 ZINC001239325161 980532011 /nfs/dbraw/zinc/53/20/11/980532011.db2.gz XYFDVEDBRJHDID-UHFFFAOYSA-N 2 0 204.317 1.558 20 0 BDADRP OC[C@H]1CCCC[N@@H+]1C[C@H]1CCCC[NH2+]C1 ZINC001580882252 981688977 /nfs/dbraw/zinc/68/89/77/981688977.db2.gz PSCMJTHVVYCIDQ-QWHCGFSZSA-N 2 0 226.364 1.223 20 0 BDADRP OC[C@H]1CCC[C@H]1[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC001580884679 981700769 /nfs/dbraw/zinc/70/07/69/981700769.db2.gz LXIPXAHSBZTHOD-IJLUTSLNSA-N 2 0 224.348 1.022 20 0 BDADRP C[NH2+]CCCCC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC001353201548 982765162 /nfs/dbraw/zinc/76/51/62/982765162.db2.gz REGNBQHEHBLTJA-RYUDHWBXSA-N 2 0 241.379 1.010 20 0 BDADRP CCCC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC001252120002 983703646 /nfs/dbraw/zinc/70/36/46/983703646.db2.gz LGJTUGJBNWEJIG-RWMBFGLXSA-N 2 0 228.380 1.467 20 0 BDADRP CCC[C@H](O)C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC001252810037 983907871 /nfs/dbraw/zinc/90/78/71/983907871.db2.gz XFVQHAWMBOAHJE-RUXDESIVSA-N 2 0 242.407 1.857 20 0 BDADRP CCOCC[C@H](C)[NH2+][C@@H]1CCN(C)C[C@H]1C ZINC001172422757 974697259 /nfs/dbraw/zinc/69/72/59/974697259.db2.gz IHUHBBPEIGLIPG-FRRDWIJNSA-N 2 0 228.380 1.731 20 0 BDADRP CC(C)OCC[C@H](C)[NH2+]C[C@H]1CC[N@H+](C)C1 ZINC001172433629 974719420 /nfs/dbraw/zinc/71/94/20/974719420.db2.gz KDXSVALMNKOVIW-QWHCGFSZSA-N 2 0 228.380 1.731 20 0 BDADRP CC[C@@H](CC(C)C)[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246542280 972568854 /nfs/dbraw/zinc/56/88/54/972568854.db2.gz JUBOINHMJSBREZ-KBPBESRZSA-N 2 0 242.407 1.987 20 0 BDADRP COc1cccc(C[NH2+]CCCC[NH3+])c1F ZINC001327414800 972572798 /nfs/dbraw/zinc/57/27/98/972572798.db2.gz DYVLYTHOELNFDV-UHFFFAOYSA-N 2 0 226.295 1.663 20 0 BDADRP CC(C)COCC[C@H](C)[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246544277 972614418 /nfs/dbraw/zinc/61/44/18/972614418.db2.gz XACIWYNMOOOJQV-MELADBBJSA-N 2 0 242.407 1.964 20 0 BDADRP CC[N@@H+]1CCC[C@H](CN[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC001327710482 972709385 /nfs/dbraw/zinc/70/93/85/972709385.db2.gz GIGZFWGEWTXHGL-MCIONIFRSA-N 2 0 239.407 1.578 20 0 BDADRP CCC[C@@H](C)[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246559927 972786924 /nfs/dbraw/zinc/78/69/24/972786924.db2.gz OGXYXCCIYOEZOH-NEPJUHHUSA-N 2 0 214.353 1.351 20 0 BDADRP CCCC[C@@H](CCC)[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246560732 972791095 /nfs/dbraw/zinc/79/10/95/972791095.db2.gz SPZQNHZMTOCAJJ-JHJVBQTASA-N 2 0 228.380 1.739 20 0 BDADRP CC1(C)C[C@H](N2C[C@H]([NH3+])CC(F)(F)C2)CC[NH2+]1 ZINC001246577363 972880516 /nfs/dbraw/zinc/88/05/16/972880516.db2.gz VUAFRIVLIZJPIZ-NXEZZACHSA-N 2 0 247.333 1.185 20 0 BDADRP C[C@@]1(C[NH3+])CCCC[N@@H+]([C@@H]2CCSC2)C1 ZINC001246588005 972982972 /nfs/dbraw/zinc/98/29/72/972982972.db2.gz XLPXRXKDLLQNIL-NEPJUHHUSA-N 2 0 228.405 1.943 20 0 BDADRP C[C@@H]1CC([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)C[C@@H](C)C1 ZINC001246588375 972991382 /nfs/dbraw/zinc/99/13/82/972991382.db2.gz YZYVOICBZIUTPA-ZPFDUUQYSA-N 2 0 226.364 1.063 20 0 BDADRP CCCC[C@H](CC)[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246641560 973062920 /nfs/dbraw/zinc/06/29/20/973062920.db2.gz JBAFKBNWPNZEED-UONOGXRCSA-N 2 0 239.407 1.593 20 0 BDADRP C[C@@H]1CN([C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)C[C@@H]1[NH3+] ZINC001246883542 973328178 /nfs/dbraw/zinc/32/81/78/973328178.db2.gz VXJWDGXXFKZOFJ-NDBYEHHHSA-N 2 0 239.407 1.432 20 0 BDADRP O[C@H](C[NH2+][C@@H]1C=CCCC1)C[NH+]1CCCC1 ZINC001329223764 973573307 /nfs/dbraw/zinc/57/33/07/973573307.db2.gz UZIIJZPUFVDBHI-CHWSQXEVSA-N 2 0 224.348 1.141 20 0 BDADRP CC(C)CC[C@@H](C)[NH2+]C1(CO)CCN(C)CC1 ZINC001256366192 970772205 /nfs/dbraw/zinc/77/22/05/970772205.db2.gz PHHSKMNCUGHONC-CYBMUJFWSA-N 2 0 242.407 1.857 20 0 BDADRP [NH3+]C[C@]1(F)CCN(c2cc3[nH]ccc3c[nH+]2)C1 ZINC001157807858 970817575 /nfs/dbraw/zinc/81/75/75/970817575.db2.gz AAZHNABVFYYRAG-GFCCVEGCSA-N 2 0 234.278 1.440 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)CCSC ZINC000234748383 973742891 /nfs/dbraw/zinc/74/28/91/973742891.db2.gz ZSZJCTXLZAVNCO-GHMZBOCLSA-N 2 0 234.409 1.472 20 0 BDADRP C[C@@H](C[NH3+])CN(C)C1CC[NH+](C(C)(C)C)CC1 ZINC001256563843 970861689 /nfs/dbraw/zinc/86/16/89/970861689.db2.gz ISUIOBKQABIMTE-LBPRGKRZSA-N 2 0 241.423 1.776 20 0 BDADRP Cc1ncn(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1CC[NH3+] ZINC001256614648 970879188 /nfs/dbraw/zinc/87/91/88/970879188.db2.gz FGANHKKROBGBKZ-FUNVUKJBSA-N 2 0 248.374 1.490 20 0 BDADRP COCC1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001256621416 970887665 /nfs/dbraw/zinc/88/76/65/970887665.db2.gz RMFQBQYNPZRNCH-FUNVUKJBSA-N 2 0 224.348 1.190 20 0 BDADRP CC(C)C[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC000403264638 970899373 /nfs/dbraw/zinc/89/93/73/970899373.db2.gz ZETMURPZTYLMGQ-SECBINFHSA-N 2 0 206.280 1.558 20 0 BDADRP C[C@@H](Cc1ccncc1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001256745567 970980748 /nfs/dbraw/zinc/98/07/48/970980748.db2.gz NNWQBEGPVYOAHP-AEGPPILISA-N 2 0 245.370 1.506 20 0 BDADRP [NH3+][C@H]1CCN([C@@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256898485 971013001 /nfs/dbraw/zinc/01/30/01/971013001.db2.gz MCZQVZNGPUCOCR-GXTWGEPZSA-N 2 0 237.391 1.426 20 0 BDADRP CC(C)(C[NH3+])N[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256898565 971011372 /nfs/dbraw/zinc/01/13/72/971011372.db2.gz NGCZZZUCRJALAX-LBPRGKRZSA-N 2 0 239.407 1.720 20 0 BDADRP [NH3+][C@@H]1C[C@H]1N[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256900973 971016402 /nfs/dbraw/zinc/01/64/02/971016402.db2.gz DGSLOYKVYJRTOM-RAIGVLPGSA-N 2 0 223.364 1.083 20 0 BDADRP CC[N@@H+]1CC[C@@H](OC[C@H]2CCCC[NH+]2C)C1 ZINC001224701891 973866172 /nfs/dbraw/zinc/86/61/72/973866172.db2.gz JBKBGANDWHEWBW-CHWSQXEVSA-N 2 0 226.364 1.582 20 0 BDADRP CC[N@@H+]1CCC[C@@H](OC[C@H]2CCCC[NH+]2C)C1 ZINC001224704615 973873707 /nfs/dbraw/zinc/87/37/07/973873707.db2.gz BFEMNGPQMXGTKO-ZIAGYGMSSA-N 2 0 240.391 1.972 20 0 BDADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC001170521684 971087182 /nfs/dbraw/zinc/08/71/82/971087182.db2.gz ZWKRXVMZIUGTHO-RHYQMDGZSA-N 2 0 240.347 1.188 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCSCC[NH3+])C[C@H](C)O1 ZINC001257083334 971095168 /nfs/dbraw/zinc/09/51/68/971095168.db2.gz GYAHSTLJJIDXFZ-JGPRNRPPSA-N 2 0 232.393 1.224 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])C[C@H](C)O1 ZINC001257086086 971095967 /nfs/dbraw/zinc/09/59/67/971095967.db2.gz FGBUEJXNNDKFTP-KZZRWZIVSA-N 2 0 212.337 1.412 20 0 BDADRP CCC[C@@H](C)NC(=[NH2+])NCCCC[NH3+] ZINC001257306915 971197621 /nfs/dbraw/zinc/19/76/21/971197621.db2.gz AODKDCCNUROGFW-SECBINFHSA-N 2 0 200.330 1.028 20 0 BDADRP CSCC[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405206612 971206170 /nfs/dbraw/zinc/20/61/70/971206170.db2.gz AOTIERKLMUJXSB-AXFHLTTASA-N 2 0 228.405 1.988 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCCCn2ccnc2)C12CCC2 ZINC000405199228 971206495 /nfs/dbraw/zinc/20/64/95/971206495.db2.gz CABYOTKKGHCNDH-CHWSQXEVSA-N 2 0 248.374 1.523 20 0 BDADRP C[C@H](O)CCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405207748 971208584 /nfs/dbraw/zinc/20/85/84/971208584.db2.gz BCXHNCQPKZXRJR-GARJFASQSA-N 2 0 212.337 1.007 20 0 BDADRP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)C(C)(C)O ZINC000405226905 971214938 /nfs/dbraw/zinc/21/49/38/971214938.db2.gz DNSLWPOYUXSLCK-OUAUKWLOSA-N 2 0 226.364 1.395 20 0 BDADRP c1cc2c[nH+]c(N3CC[N@H+]4CC[C@@H]4C3)cc2[nH]1 ZINC001158422467 971218232 /nfs/dbraw/zinc/21/82/32/971218232.db2.gz AXVHPRSKTILIST-LLVKDONJSA-N 2 0 228.299 1.457 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405241214 971218212 /nfs/dbraw/zinc/21/82/12/971218212.db2.gz BDOKMRMSCOUXNY-WOPDTQHZSA-N 2 0 234.347 1.131 20 0 BDADRP C[C@@H](Nc1cc[nH+]c(C2CC2)c1)[C@@H]1C[NH2+]CCO1 ZINC001170572883 971223653 /nfs/dbraw/zinc/22/36/53/971223653.db2.gz IERDNVBDSXRSTD-YGRLFVJLSA-N 2 0 247.342 1.748 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)[C@@H]1CCCOC1 ZINC000405269932 971225457 /nfs/dbraw/zinc/22/54/57/971225457.db2.gz UDHRQUVDHNKCRF-QNWHQSFQSA-N 2 0 238.375 1.661 20 0 BDADRP CN(C)c1cc[nH+]c(N2CC[N@@H+]3CC[C@@H]3C2)c1 ZINC001158423997 971225476 /nfs/dbraw/zinc/22/54/76/971225476.db2.gz QYACCBFTYYDWHU-GFCCVEGCSA-N 2 0 232.331 1.042 20 0 BDADRP Cc1ccncc1C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405265640 971227739 /nfs/dbraw/zinc/22/77/39/971227739.db2.gz RDRRYBNNDDGENA-CHWSQXEVSA-N 2 0 231.343 1.750 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCC(F)(F)F)C12CCC2 ZINC000405303345 971232750 /nfs/dbraw/zinc/23/27/50/971232750.db2.gz KUFQFNUCHCMRCJ-HTQZYQBOSA-N 2 0 222.254 1.798 20 0 BDADRP C[C@H](Cn1ccnc1)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405294384 971233434 /nfs/dbraw/zinc/23/34/34/971233434.db2.gz FMYREWQOKAEESN-UTUOFQBUSA-N 2 0 234.347 1.131 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]CC2(O)CCCCC2)C12CCC2 ZINC000405336930 971239303 /nfs/dbraw/zinc/23/93/03/971239303.db2.gz FVJKFQDUYRYZDC-RYUDHWBXSA-N 2 0 238.375 1.541 20 0 BDADRP COCCC(C)(C)C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405355300 971240514 /nfs/dbraw/zinc/24/05/14/971240514.db2.gz QNQQIOZBPJDINJ-NWDGAFQWSA-N 2 0 240.391 1.909 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCCCCCO)C12CCC2 ZINC000405397614 971246101 /nfs/dbraw/zinc/24/61/01/971246101.db2.gz IZHACIZJYPLHIT-VXGBXAGGSA-N 2 0 226.364 1.399 20 0 BDADRP CCC(O)(CC)C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405388007 971248597 /nfs/dbraw/zinc/24/85/97/971248597.db2.gz FPOXILWSTAIDBR-MNOVXSKESA-N 2 0 226.364 1.397 20 0 BDADRP CC(C)[N@H+](C)CCN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405424668 971253355 /nfs/dbraw/zinc/25/33/55/971253355.db2.gz QOIUYZLAFRGPRN-RYUDHWBXSA-N 2 0 225.380 1.186 20 0 BDADRP CC(C)C[C@H](O)C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405411536 971254016 /nfs/dbraw/zinc/25/40/16/971254016.db2.gz NGBCXAZPETVUEF-QJPTWQEYSA-N 2 0 226.364 1.253 20 0 BDADRP CC[NH+]1C[C@@H]2C[NH+](C3CCCC3)C[C@H]2C1 ZINC001257354601 971265427 /nfs/dbraw/zinc/26/54/27/971265427.db2.gz JVAZAEWFKCKFLN-VXGBXAGGSA-N 2 0 208.349 1.813 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+](C1CCCC1)CC2 ZINC001257355979 971269489 /nfs/dbraw/zinc/26/94/89/971269489.db2.gz PHRSTWYDKIEIJD-UHFFFAOYSA-N 2 0 208.349 1.957 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@H]1CO[C@@H](C)[C@@H]1C ZINC000405590553 971278937 /nfs/dbraw/zinc/27/89/37/971278937.db2.gz AUSYCSAQXQXMDS-RWMBFGLXSA-N 2 0 228.380 1.731 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CO[C@@H](C)[C@H]2C)C1 ZINC000405694495 971294165 /nfs/dbraw/zinc/29/41/65/971294165.db2.gz XPCINSWCSVVHGF-YVECIDJPSA-N 2 0 226.364 1.341 20 0 BDADRP CC[NH+](CC)CCO[C@H](C)C[NH+](C)C ZINC001224927581 974075430 /nfs/dbraw/zinc/07/54/30/974075430.db2.gz IEYWADFQSHLQCB-LLVKDONJSA-N 2 0 202.342 1.295 20 0 BDADRP C[NH2+][C@H]1C[C@@H](OCC[C@H]2CCC[NH2+]C2)C1 ZINC001217767624 971394025 /nfs/dbraw/zinc/39/40/25/971394025.db2.gz ZLHABFSCGFTGMC-UTUOFQBUSA-N 2 0 212.337 1.143 20 0 BDADRP C(CCC1CC[NH2+]CC1)COC1CC[NH2+]CC1 ZINC001217768693 971394918 /nfs/dbraw/zinc/39/49/18/971394918.db2.gz WJCOVZCCUVCLIH-UHFFFAOYSA-N 2 0 240.391 1.925 20 0 BDADRP CC(C)(C[NH3+])CO[C@@H]1C[NH2+]CCC[C@@H]1F ZINC001217774243 971396438 /nfs/dbraw/zinc/39/64/38/971396438.db2.gz OLZYVZRJEYUKOR-VHSXEESVSA-N 2 0 218.316 1.078 20 0 BDADRP C(C[C@H]1CCC[NH2+]C1)O[C@@H]1CCCC[NH2+]C1 ZINC001217774056 971397538 /nfs/dbraw/zinc/39/75/38/971397538.db2.gz SSAHWPOVHWEKIN-CHWSQXEVSA-N 2 0 226.364 1.535 20 0 BDADRP C[C@H]1C[C@H](OCCCC2CC[NH2+]CC2)CC[NH2+]1 ZINC001217788439 971407946 /nfs/dbraw/zinc/40/79/46/971407946.db2.gz DCIWAYQCXFDPCZ-GXTWGEPZSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1OCc1ccccc1C[NH3+] ZINC001217788246 971408751 /nfs/dbraw/zinc/40/87/51/971408751.db2.gz GUMNDSJYXLBKTP-BXUZGUMPSA-N 2 0 234.343 1.660 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1OCCC1CC[NH2+]CC1 ZINC001217791125 971411362 /nfs/dbraw/zinc/41/13/62/971411362.db2.gz VCXYZIOEYDBQLD-OCCSQVGLSA-N 2 0 240.391 1.781 20 0 BDADRP CC[N@@H+]1CC[C@@H](OCCCC[NH+](C)C)C1 ZINC001224992693 974121447 /nfs/dbraw/zinc/12/14/47/974121447.db2.gz SBNQBCUUFOEEDS-GFCCVEGCSA-N 2 0 214.353 1.439 20 0 BDADRP CC(C)(C[NH3+])CO[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001217813809 971417100 /nfs/dbraw/zinc/41/71/00/971417100.db2.gz PGBVBZOTNCFCRC-GRYCIOLGSA-N 2 0 226.364 1.376 20 0 BDADRP C(O[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCC[NH2+]C1 ZINC001217825231 971421064 /nfs/dbraw/zinc/42/10/64/971421064.db2.gz OZBSURWKHDSVOK-WUHRBBMRSA-N 2 0 224.348 1.286 20 0 BDADRP [NH3+]CCCCCCCO[C@@H]1CCC12C[NH2+]C2 ZINC001217847441 971439533 /nfs/dbraw/zinc/43/95/33/971439533.db2.gz GEHMEGPOHLQZSJ-GFCCVEGCSA-N 2 0 226.364 1.664 20 0 BDADRP C(CO[C@H]1CCC[NH2+]C1)C[C@H]1CCC[NH2+]C1 ZINC001217860483 971453168 /nfs/dbraw/zinc/45/31/68/971453168.db2.gz NBNOEMUAMFAWAC-OLZOCXBDSA-N 2 0 226.364 1.535 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](OC[C@@H]2CCC[NH2+]C2)C1 ZINC001217865239 971458818 /nfs/dbraw/zinc/45/88/18/971458818.db2.gz IZLZXTVQCCCKAB-OLZOCXBDSA-N 2 0 226.364 1.485 20 0 BDADRP C[NH+](C)C1CCC(OC[C@@H]2CCC[NH2+]C2)CC1 ZINC001217867142 971462697 /nfs/dbraw/zinc/46/26/97/971462697.db2.gz GNGLKRQOMBPRNG-IYXRBSQSSA-N 2 0 240.391 1.875 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+]([C@@H]3CCCSC3)C2)C1 ZINC001257681005 971484287 /nfs/dbraw/zinc/48/42/87/971484287.db2.gz MZGXSWZKNZZMMA-OLZOCXBDSA-N 2 0 240.416 1.910 20 0 BDADRP CCCCCC[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133291309 971487536 /nfs/dbraw/zinc/48/75/36/971487536.db2.gz OTTVNGRBEVURRY-UHFFFAOYSA-N 2 0 243.395 1.224 20 0 BDADRP C[C@H]1[NH2+]C[C@H]1OCCCC1CC[NH2+]CC1 ZINC001217905794 971508987 /nfs/dbraw/zinc/50/89/87/971508987.db2.gz DDGLRMNEYKEVCH-ZYHUDNBSSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H]1[NH2+]C[C@@H]1OCCC[C@@H]1CCC[NH2+]C1 ZINC001217909357 971510290 /nfs/dbraw/zinc/51/02/90/971510290.db2.gz SENICBDBGGGYIN-SRVKXCTJSA-N 2 0 212.337 1.143 20 0 BDADRP [NH3+]Cc1ccccc1CO[C@@H]1C[NH2+]CCC12CC2 ZINC001217912128 971512726 /nfs/dbraw/zinc/51/27/26/971512726.db2.gz GYEPHBZAKDDXBY-CQSZACIVSA-N 2 0 246.354 1.804 20 0 BDADRP [NH3+]CCCCCCO[C@@H]1[C@@H]2CC[C@H]1[NH2+]C2 ZINC001217924227 971529287 /nfs/dbraw/zinc/52/92/87/971529287.db2.gz FFPMDQIZSZUBGL-IJLUTSLNSA-N 2 0 212.337 1.273 20 0 BDADRP C(C[C@@H]1CCC[NH2+]C1)O[C@@H]1[C@@H]2CC[C@H]1[NH2+]C2 ZINC001217925727 971530284 /nfs/dbraw/zinc/53/02/84/971530284.db2.gz VGVUADLVBATFKZ-UMSGYPCISA-N 2 0 224.348 1.143 20 0 BDADRP [NH3+][C@H]1CCC[N@@H+](C2CCC3(COC3)CC2)C1 ZINC001257897520 971531859 /nfs/dbraw/zinc/53/18/59/971531859.db2.gz CABBIHRGYXSJKH-NSHDSACASA-N 2 0 224.348 1.369 20 0 BDADRP [NH3+]CCCCCCO[C@H]1C[NH2+]CCC1(F)F ZINC001217927070 971532135 /nfs/dbraw/zinc/53/21/35/971532135.db2.gz MZHCRFIYMAXEKJ-JTQLQIEISA-N 2 0 236.306 1.519 20 0 BDADRP FC1(F)CC[NH2+]C[C@@H]1OCC[C@@H]1CCC[NH2+]C1 ZINC001217929102 971532659 /nfs/dbraw/zinc/53/26/59/971532659.db2.gz YOFPIRCSUMALCR-QWRGUYRKSA-N 2 0 248.317 1.390 20 0 BDADRP CC1(C)[NH2+][C@@H](CO[C@@H]2CC[NH2+]C(C)(C)C2)CO1 ZINC001217936262 971538345 /nfs/dbraw/zinc/53/83/45/971538345.db2.gz DMNQBDHXNXUVBZ-WDEREUQCSA-N 2 0 242.363 1.258 20 0 BDADRP C[NH2+][C@H]1C[C@H](Oc2cccc(C[NH3+])c2)C1 ZINC001217953787 971541813 /nfs/dbraw/zinc/54/18/13/971541813.db2.gz CVRNXJUDVPTEJU-UMSPYCQHSA-N 2 0 206.289 1.275 20 0 BDADRP [NH3+][C@@H]1C[C@H]1c1ccc(O[C@@H]2CCC[NH2+]C2)cc1 ZINC001217965694 971550331 /nfs/dbraw/zinc/55/03/31/971550331.db2.gz SICCIHQZMPQUIC-HZSPNIEDSA-N 2 0 232.327 1.632 20 0 BDADRP CC(C)C[NH+]1CCC([NH2+]C(C)(C)CCO)CC1 ZINC001258002817 971555311 /nfs/dbraw/zinc/55/53/11/971555311.db2.gz GKJCYQFVJMHUHB-UHFFFAOYSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@@H](Oc1cccc(C[NH3+])c1)C1CC[NH2+]CC1 ZINC001218009593 971567270 /nfs/dbraw/zinc/56/72/70/971567270.db2.gz LYWQALLFYJKHPE-LLVKDONJSA-N 2 0 234.343 1.912 20 0 BDADRP C[C@@H]1C[C@@H](Oc2cccc(C[NH3+])c2)C[NH2+]1 ZINC001218040237 971576535 /nfs/dbraw/zinc/57/65/35/971576535.db2.gz YHCONVLYDIZWFL-BXKDBHETSA-N 2 0 206.289 1.275 20 0 BDADRP C[C@@H]1C[C@H](Oc2ccc(CC[NH3+])cc2)C[NH2+]1 ZINC001218045782 971586310 /nfs/dbraw/zinc/58/63/10/971586310.db2.gz OSBAMGXQRSPABW-MFKMUULPSA-N 2 0 220.316 1.317 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1Oc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC001218046855 971586952 /nfs/dbraw/zinc/58/69/52/971586952.db2.gz ZTGLBGAGDRYJRZ-AQNFWKISSA-N 2 0 246.354 1.878 20 0 BDADRP F[C@@H]1C[NH2+]CC[C@H]1Oc1cccc2c1C[NH2+]C2 ZINC001218069712 971594466 /nfs/dbraw/zinc/59/44/66/971594466.db2.gz JZTDENSPONGTGD-DGCLKSJQSA-N 2 0 236.290 1.369 20 0 BDADRP c1cc2c(c(O[C@@H]3CC[C@]34CC[NH2+]C4)c1)C[NH2+]C2 ZINC001218119664 971602825 /nfs/dbraw/zinc/60/28/25/971602825.db2.gz RJBDTFAIJDJTCT-HUUCEWRRSA-N 2 0 244.338 1.811 20 0 BDADRP c1cc(O[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc2c1C[NH2+]C2 ZINC001218185523 971620578 /nfs/dbraw/zinc/62/05/78/971620578.db2.gz FHEURHXMOOBQBR-NHAGDIPZSA-N 2 0 244.338 1.952 20 0 BDADRP [NH3+]Cc1cccc(O[C@@H]2C[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC001218251305 971651820 /nfs/dbraw/zinc/65/18/20/971651820.db2.gz SFRDGDFIQZDNLU-MRVWCRGKSA-N 2 0 232.327 1.665 20 0 BDADRP c1cc(O[C@@H]2C[C@H]3CC[NH2+][C@@H]3C2)cc2c1C[NH2+]C2 ZINC001218253513 971651428 /nfs/dbraw/zinc/65/14/28/971651428.db2.gz XYFZWUBDZMKYJG-VCTAVGKDSA-N 2 0 244.338 1.809 20 0 BDADRP C[C@@H]1[NH2+]C[C@@H]1Oc1cccc2c1C[NH2+]C2 ZINC001218384112 971760285 /nfs/dbraw/zinc/76/02/85/971760285.db2.gz CIFYLGQBTBBBJX-UFBFGSQYSA-N 2 0 204.273 1.029 20 0 BDADRP C[C@H]1C[NH2+]CC[C@@H]1Oc1ccc(CC[NH3+])cc1 ZINC001218420529 971794101 /nfs/dbraw/zinc/79/41/01/971794101.db2.gz TYFLQJBUVZPVEG-FZMZJTMJSA-N 2 0 234.343 1.565 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCCOCC1)C2 ZINC001170777289 971803625 /nfs/dbraw/zinc/80/36/25/971803625.db2.gz WKIMXWYTIQZFJM-FQUUOJAGSA-N 2 0 238.375 1.770 20 0 BDADRP [NH3+]CC1(F)CC[NH+](C[C@H]2CCCCO2)CC1 ZINC001222528517 972537349 /nfs/dbraw/zinc/53/73/49/972537349.db2.gz XAIBNYNOXOHCDD-LLVKDONJSA-N 2 0 230.327 1.318 20 0 BDADRP [NH3+][C@@H]1C[C@H]1c1ccc(O[C@H]2[C@@H]3CC[C@H]2[NH2+]C3)cc1 ZINC001218450588 971821820 /nfs/dbraw/zinc/82/18/20/971821820.db2.gz ZXEOXRSBFPMUHG-RCSLCFTFSA-N 2 0 244.338 1.630 20 0 BDADRP C[C@@H]([NH3+])c1ccc(O[C@@H]2[C@@H]3CC[C@H]2[NH2+]C3)cc1 ZINC001218449682 971822159 /nfs/dbraw/zinc/82/21/59/971822159.db2.gz RBNOQOHCWAEPMM-WGEPELCKSA-N 2 0 232.327 1.836 20 0 BDADRP c1cc2c(c(O[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]34)c1)C[NH2+]C2 ZINC001218458808 971824470 /nfs/dbraw/zinc/82/44/70/971824470.db2.gz DJWJVEZUXOTIMI-UXIGCNINSA-N 2 0 244.338 1.667 20 0 BDADRP C[C@@H](C[NH3+])C[N@H+](C)[C@@H]1CCCOCC1 ZINC001170792824 971833001 /nfs/dbraw/zinc/83/30/01/971833001.db2.gz TXSNANOTDBPMGD-WDEREUQCSA-N 2 0 200.326 1.082 20 0 BDADRP CN1CC[C@H]([NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC000309970020 971900861 /nfs/dbraw/zinc/90/08/61/971900861.db2.gz OZPVBGBZFHVQAI-CPCZMJQVSA-N 2 0 225.380 1.153 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])C(=O)Nc1ccc2[nH]ccc2c1 ZINC001218807183 971944583 /nfs/dbraw/zinc/94/45/83/971944583.db2.gz PRPKVGIUCMFLHB-NSHDSACASA-N 2 0 246.314 1.173 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+]([C@@H]3CCCOCC3)C2)C1 ZINC001170831586 971951212 /nfs/dbraw/zinc/95/12/12/971951212.db2.gz QLFMUMHWUTXLKM-KGLIPLIRSA-N 2 0 238.375 1.583 20 0 BDADRP CCn1cncc1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000310147661 971952342 /nfs/dbraw/zinc/95/23/42/971952342.db2.gz LYEQLSYKOGQGJO-LBPRGKRZSA-N 2 0 236.363 1.464 20 0 BDADRP CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[NH+](CC)CC ZINC001135706383 971965495 /nfs/dbraw/zinc/96/54/95/971965495.db2.gz UBHJXEUASMHGRI-NEPJUHHUSA-N 2 0 243.395 1.221 20 0 BDADRP O=C(Nc1cccc2c1C[NH2+]C2)C1CC[NH2+]CC1 ZINC001218994134 971971319 /nfs/dbraw/zinc/97/13/19/971971319.db2.gz BRSMYHKFBDIEEF-UHFFFAOYSA-N 2 0 245.326 1.228 20 0 BDADRP CC[C@@]([NH3+])(CO)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC001170865536 971998778 /nfs/dbraw/zinc/99/87/78/971998778.db2.gz OIMJFIUPTBSCHW-LBPRGKRZSA-N 2 0 234.303 1.341 20 0 BDADRP CC[C@]([NH3+])(CO)Nc1cccc2c1CC[C@H]2[NH3+] ZINC001170866786 972000452 /nfs/dbraw/zinc/00/04/52/972000452.db2.gz YXGWHYKHJXRIPF-DGCLKSJQSA-N 2 0 235.331 1.102 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)C2CC3(C[NH2+]C3)C2)cc1 ZINC001219345277 972002261 /nfs/dbraw/zinc/00/22/61/972002261.db2.gz GSVUTPJDKMAXGU-UHFFFAOYSA-N 2 0 245.326 1.083 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)Nc1ccc(C[NH3+])cc1 ZINC001219345251 972002765 /nfs/dbraw/zinc/00/27/65/972002765.db2.gz FIYBOXQIMTYXMV-LBPRGKRZSA-N 2 0 249.358 1.847 20 0 BDADRP C[N@@H+](Cc1ccc[nH]1)CC1CC[NH+](C)CC1 ZINC000190644980 972037972 /nfs/dbraw/zinc/03/79/72/972037972.db2.gz PUPHQMYPAOHKCT-UHFFFAOYSA-N 2 0 221.348 1.788 20 0 BDADRP Cc1cc2[nH+]ccn2cc1NCC[C@@H](C)[NH3+] ZINC001170890761 972041336 /nfs/dbraw/zinc/04/13/36/972041336.db2.gz GNTQLYHHCRRRRU-SNVBAGLBSA-N 2 0 218.304 1.792 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc(-n2cccc2)cn1 ZINC001170898301 972056467 /nfs/dbraw/zinc/05/64/67/972056467.db2.gz SBSOMGZUWFLGIE-GFCCVEGCSA-N 2 0 245.330 1.308 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccccc1-c1ncco1 ZINC001170898085 972056981 /nfs/dbraw/zinc/05/69/81/972056981.db2.gz BKMQRSCICFQQEL-LBPRGKRZSA-N 2 0 246.314 1.777 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc(C2CC2)cn1 ZINC001170899442 972058335 /nfs/dbraw/zinc/05/83/35/972058335.db2.gz CCEMTHXAAFQXIW-NSHDSACASA-N 2 0 220.320 1.395 20 0 BDADRP Cc1c2[nH+]c[nH]c2ccc1N[C@H]([NH3+])CCC[NH3+] ZINC001170899694 972059245 /nfs/dbraw/zinc/05/92/45/972059245.db2.gz LFMILMXVXKEKSU-NSHDSACASA-N 3 0 233.319 1.307 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1c(Cl)cncc1Cl ZINC001170899144 972059529 /nfs/dbraw/zinc/05/95/29/972059529.db2.gz HYOQJMLLESPUAS-MRVPVSSYSA-N 2 0 249.145 1.246 20 0 BDADRP Cc1ccc2[nH]ccc2c1N[C@H]([NH3+])CCC[NH3+] ZINC001170898984 972061417 /nfs/dbraw/zinc/06/14/17/972061417.db2.gz FYWFXCDENKAROT-LBPRGKRZSA-N 2 0 232.331 1.912 20 0 BDADRP CCOc1ccc(N[C@H]([NH3+])CCC[NH3+])cc1 ZINC001170900568 972065926 /nfs/dbraw/zinc/06/59/26/972065926.db2.gz WKYAGMAVOVLZNN-LBPRGKRZSA-N 2 0 223.320 1.521 20 0 BDADRP Cc1ccnc2cc(N[C@H]([NH3+])CCC[NH3+])ccc12 ZINC001170900495 972066488 /nfs/dbraw/zinc/06/64/88/972066488.db2.gz LVUVMRLNTNFXQW-AWEZNQCLSA-N 2 0 244.342 1.979 20 0 BDADRP CC(C)Oc1cccnc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170904837 972080164 /nfs/dbraw/zinc/08/01/64/972080164.db2.gz QKJBRDCJYQPUFA-LLVKDONJSA-N 2 0 238.335 1.304 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ccccc1C1CC1 ZINC001170902117 972075942 /nfs/dbraw/zinc/07/59/42/972075942.db2.gz BEKGDVIGHZXDEG-CYBMUJFWSA-N 2 0 219.332 2.000 20 0 BDADRP CC(C)Oc1cccnc1N[C@H]([NH3+])CCC[NH3+] ZINC001170904838 972080880 /nfs/dbraw/zinc/08/08/80/972080880.db2.gz QKJBRDCJYQPUFA-NSHDSACASA-N 2 0 238.335 1.304 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ncc(F)c2ccccc21 ZINC001159785637 972112203 /nfs/dbraw/zinc/11/22/03/972112203.db2.gz RIJVLKGMUQXDTP-GFCCVEGCSA-N 2 0 248.305 1.810 20 0 BDADRP C([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C1CCCCC1 ZINC001246063813 972126269 /nfs/dbraw/zinc/12/62/69/972126269.db2.gz CYXFDJBQHBTTMP-CYBMUJFWSA-N 2 0 237.391 1.250 20 0 BDADRP CC[N@@H+]1CCC[C@H]1CN[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246074422 972128780 /nfs/dbraw/zinc/12/87/80/972128780.db2.gz PFBCWMBQZXFKRQ-XQQFMLRXSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2([NH3+])CCCC2)C[C@H](C)O1 ZINC001246077582 972130685 /nfs/dbraw/zinc/13/06/85/972130685.db2.gz XFDSTCIDYPXDAT-ZSBIGDGJSA-N 2 0 226.364 1.804 20 0 BDADRP C1C[NH+]2CCC1C[C@@H](N[C@@H]1CCCC[NH2+]C1)C2 ZINC001246091930 972145965 /nfs/dbraw/zinc/14/59/65/972145965.db2.gz RAAYMROMBLYENU-ZIAGYGMSSA-N 2 0 237.391 1.202 20 0 BDADRP CC1(C)C[C@H](N[C@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC001246091281 972146399 /nfs/dbraw/zinc/14/63/99/972146399.db2.gz OHJREKRRKPXXKC-NEPJUHHUSA-N 2 0 225.380 1.249 20 0 BDADRP C[NH2+]CC[C@H](C)[NH2+]C[C@@]1(C)CCC[NH2+]CC1 ZINC001246095218 972149781 /nfs/dbraw/zinc/14/97/81/972149781.db2.gz OURPSTZQYXNEAK-STQMWFEESA-N 3 0 227.396 1.354 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+][C@H]2CCCN(C)C2)C[NH2+]1 ZINC001246102656 972160620 /nfs/dbraw/zinc/16/06/20/972160620.db2.gz WRYXERSMBMIMBC-UPJWGTAASA-N 2 0 225.380 1.058 20 0 BDADRP C[C@H](Cc1ccccn1)[NH2+]C[C@H]1C[NH2+]CC[C@H]1C ZINC001246108602 972171751 /nfs/dbraw/zinc/17/17/51/972171751.db2.gz CNXWMXYSVDHHTH-MGPQQGTHSA-N 2 0 247.386 1.848 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]Cc2cccn2C)CC[NH2+]1 ZINC001246107834 972171992 /nfs/dbraw/zinc/17/19/92/972171992.db2.gz AQQRXVDPAWUTJP-GHMZBOCLSA-N 2 0 207.321 1.255 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](C[NH2+][C@H]2CCO[C@@H](C)C2)C1 ZINC001246104003 972166168 /nfs/dbraw/zinc/16/61/68/972166168.db2.gz UDTVGNUNEBDIGL-RVMXOQNASA-N 2 0 226.364 1.389 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@H]2CCO[C@H](C)C2)C[NH2+]1 ZINC001246104161 972167775 /nfs/dbraw/zinc/16/77/75/972167775.db2.gz ZXIRGZABXZPKCP-NDBYEHHHSA-N 2 0 226.364 1.532 20 0 BDADRP CC[N@@H+]1CC[C@H](NC[C@H]2CC[C@H](C)C[NH2+]2)C1 ZINC001246105169 972168593 /nfs/dbraw/zinc/16/85/93/972168593.db2.gz MLKNLNPQOWKMRU-XQQFMLRXSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1C[NH2+]C1CCSCC1 ZINC001246114789 972176917 /nfs/dbraw/zinc/17/69/17/972176917.db2.gz XNDRIAGBFQMVTE-QWRGUYRKSA-N 2 0 228.405 1.860 20 0 BDADRP C[C@@H]1CC[C@H](NC[C@]23CCC[C@H]2C[NH2+]C3)C[NH2+]1 ZINC001246124576 972185754 /nfs/dbraw/zinc/18/57/54/972185754.db2.gz BLXSVGHDUKJSNT-ZOBORPQBSA-N 2 0 237.391 1.106 20 0 BDADRP C1CC12C[NH2+]C[C@H]2[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246131427 972188823 /nfs/dbraw/zinc/18/88/23/972188823.db2.gz JWDQGGLXZYBEQF-QWHCGFSZSA-N 3 0 249.402 1.250 20 0 BDADRP CCCC[C@H](CCC)[NH2+][C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001246136772 972191395 /nfs/dbraw/zinc/19/13/95/972191395.db2.gz GHWJTYFSZIJNKK-REWJHTLYSA-N 2 0 240.391 1.922 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1C[NH2+]CC13CC3)C2 ZINC001246134120 972191557 /nfs/dbraw/zinc/19/15/57/972191557.db2.gz PIDGXXVXDKIMEK-CRWXNKLISA-N 2 0 249.402 1.343 20 0 BDADRP CC(C)[C@@H]1C[C@H](N[C@H]2C[NH2+]CC23CC3)CC[NH2+]1 ZINC001246134047 972191896 /nfs/dbraw/zinc/19/18/96/972191896.db2.gz OUYSINPDVKRNIL-AGIUHOORSA-N 2 0 237.391 1.105 20 0 BDADRP C(N[C@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1CCCC[NH2+]1 ZINC001246168223 972203972 /nfs/dbraw/zinc/20/39/72/972203972.db2.gz IJEBPRCXAKTATC-STQMWFEESA-N 2 0 237.391 1.393 20 0 BDADRP C[C@H]1CC[C@@H](N(C)C2CCC([NH3+])CC2)C[NH2+]1 ZINC001246231824 972237679 /nfs/dbraw/zinc/23/76/79/972237679.db2.gz HJZCSSDMJKUFFH-YWPUVAFDSA-N 2 0 225.380 1.329 20 0 BDADRP CO[C@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246235239 972240430 /nfs/dbraw/zinc/24/04/30/972240430.db2.gz GHLXCWWKQWSZAE-FDYHWXHSSA-N 2 0 226.364 1.674 20 0 BDADRP C[NH+](C)[C@H]1CCCC[C@@H]1N[C@@H]1CCC[NH2+]C1 ZINC001246235166 972240498 /nfs/dbraw/zinc/24/04/98/972240498.db2.gz JDOZTZGGNBJBFJ-AGIUHOORSA-N 2 0 225.380 1.201 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@](C)(O)C2)C1 ZINC001208606017 957089457 /nfs/dbraw/zinc/08/94/57/957089457.db2.gz DBPBNBUIAOEGTK-ZIAGYGMSSA-N 2 0 240.391 1.565 20 0 BDADRP CC(C)C([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C(C)C ZINC001246235552 972242570 /nfs/dbraw/zinc/24/25/70/972242570.db2.gz IBVGSOPIAHEDTO-LBPRGKRZSA-N 2 0 239.407 1.351 20 0 BDADRP Cc1[nH+]cc(NC2=CC[N@H+](C)CC2)n1C ZINC001208803493 957179123 /nfs/dbraw/zinc/17/91/23/957179123.db2.gz YGCQNCQVPHJKAV-UHFFFAOYSA-N 2 0 206.293 1.360 20 0 BDADRP CC1(C)CCC[C@H]1[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246283412 972256306 /nfs/dbraw/zinc/25/63/06/972256306.db2.gz BPKLBBXMULEHCN-VXGBXAGGSA-N 2 0 237.391 1.249 20 0 BDADRP COCCC[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001209055304 957306286 /nfs/dbraw/zinc/30/62/86/957306286.db2.gz UUGTVDQZBAPILM-UHFFFAOYSA-N 2 0 249.358 1.549 20 0 BDADRP COC(=O)[C@H]1CCC[C@@H]([NH2+]CC[C@H](C)[NH3+])CC1 ZINC001246301742 972265648 /nfs/dbraw/zinc/26/56/48/972265648.db2.gz VNIXTYIRXVAPSY-SDDRHHMPSA-N 2 0 242.363 1.435 20 0 BDADRP C[C@H]([NH3+])CCN[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246303577 972265945 /nfs/dbraw/zinc/26/59/45/972265945.db2.gz ITICMZZVUBFDIE-SDDRHHMPSA-N 2 0 227.396 1.480 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCCCCCC[NH3+])CC[NH2+]1 ZINC001246305733 972267020 /nfs/dbraw/zinc/26/70/20/972267020.db2.gz IXLNGSUNLCMCLP-STQMWFEESA-N 3 0 227.396 1.626 20 0 BDADRP Nc1cc[nH+]cc1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC001209729722 957525112 /nfs/dbraw/zinc/52/51/12/957525112.db2.gz AKLAIQHIMUOFDG-ZDUSSCGKSA-N 2 0 246.358 1.164 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@H]1CCC[C@@H](C(=O)OC)C1 ZINC001246312093 972273181 /nfs/dbraw/zinc/27/31/81/972273181.db2.gz FPOGXOITVCTBDU-VWYCJHECSA-N 2 0 228.336 1.045 20 0 BDADRP C[C@H]1C[C@@H](N[C@H]2C[NH2+]CCC2(C)C)CC[NH2+]1 ZINC001246324549 972286701 /nfs/dbraw/zinc/28/67/01/972286701.db2.gz FKGQJTJZFNWDSW-SRVKXCTJSA-N 2 0 225.380 1.105 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000397747295 957800606 /nfs/dbraw/zinc/80/06/06/957800606.db2.gz JLGDKCRNJRISEQ-FVCCEPFGSA-N 2 0 208.349 1.716 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+](C3CCC3)C2)CC[NH2+]1 ZINC001246359342 972303432 /nfs/dbraw/zinc/30/34/32/972303432.db2.gz AWXVCTOLXNIVDW-UPJWGTAASA-N 2 0 237.391 1.343 20 0 BDADRP C[C@H](Nc1ccc2c(c1)C[NH2+]C2)[C@@H]1C[NH2+]CCO1 ZINC000169193420 957996763 /nfs/dbraw/zinc/99/67/63/957996763.db2.gz HBWSLHAERGLKOX-HZMBPMFUSA-N 2 0 247.342 1.079 20 0 BDADRP CC[C@@]1(C[NH2+]C2CCC([NH2+]C)CC2)CCC[NH2+]1 ZINC001246455163 972324222 /nfs/dbraw/zinc/32/42/22/972324222.db2.gz HIISXSMIYRQKBL-RUXDESIVSA-N 3 0 239.407 1.639 20 0 BDADRP CCCCC[C@@H](C)[NH2+]CCCNCCC[NH3+] ZINC001246453287 972325396 /nfs/dbraw/zinc/32/53/96/972325396.db2.gz NBXOJIVZKMUHTA-CYBMUJFWSA-N 2 0 229.412 1.873 20 0 BDADRP CC[C@@H]1C[C@@H](NC[C@@]2(C)CCC[NH2+]2)CC[NH2+]1 ZINC001246456672 972326369 /nfs/dbraw/zinc/32/63/69/972326369.db2.gz NXJFLWOXFBYHRZ-FRRDWIJNSA-N 2 0 225.380 1.249 20 0 BDADRP CC1(C)CC[C@@H]([NH2+]CCC[NH2+]CCCC[NH3+])C1 ZINC001246457028 972326449 /nfs/dbraw/zinc/32/64/49/972326449.db2.gz MDKMLWBRTNZDQI-CYBMUJFWSA-N 3 0 241.423 1.873 20 0 BDADRP CCCC(C[NH3+])(CCC)NC(=O)[C@H]1CC[C@@H]1[NH3+] ZINC001221373388 972332925 /nfs/dbraw/zinc/33/29/25/972332925.db2.gz ZWGMIJQBUHJCNL-QWRGUYRKSA-N 2 0 241.379 1.138 20 0 BDADRP C[N@@H+]1CCC[C@](C)(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246464956 972340286 /nfs/dbraw/zinc/34/02/86/972340286.db2.gz TWRHNVYREUGXGQ-PIGZVRMJSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC[C@@H]1[NH3+] ZINC000693392874 958353409 /nfs/dbraw/zinc/35/34/09/958353409.db2.gz LZPHQNXVEWFLHJ-ZIQFBCGOSA-N 2 0 244.329 1.947 20 0 BDADRP COCCCC[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC000403139841 958407234 /nfs/dbraw/zinc/40/72/34/958407234.db2.gz CTSOXYOCFVLCJQ-SNVBAGLBSA-N 2 0 236.306 1.329 20 0 BDADRP COCCCC[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC000403139838 958407441 /nfs/dbraw/zinc/40/74/41/958407441.db2.gz CTSOXYOCFVLCJQ-JTQLQIEISA-N 2 0 236.306 1.329 20 0 BDADRP CC[C@H](C)C[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC000403216714 958429830 /nfs/dbraw/zinc/42/98/30/958429830.db2.gz GUHCHZMXIDPGAF-VHSXEESVSA-N 2 0 220.307 1.948 20 0 BDADRP CCSC[C@H](C)[NH2+]C[C@@H]1CC[NH2+]C[C@@H]1F ZINC001246477277 972347346 /nfs/dbraw/zinc/34/73/46/972347346.db2.gz NJQAKUITLFOKAO-DCAQKATOSA-N 2 0 234.384 1.665 20 0 BDADRP C[C@@H](CC(F)(F)F)[NH2+]C[C@@H]1CC[NH2+]C[C@@H]1F ZINC001246478764 972349909 /nfs/dbraw/zinc/34/99/09/972349909.db2.gz YOLOAKMWJOZGER-CIUDSAMLSA-N 2 0 242.260 1.865 20 0 BDADRP CC(C)[NH+](CCN[C@H]1CC[C@@H](C)[NH2+]C1)C(C)C ZINC000399020172 958486850 /nfs/dbraw/zinc/48/68/50/958486850.db2.gz DUXCGTVSYLMRRZ-KGLIPLIRSA-N 2 0 241.423 1.835 20 0 BDADRP CC(C)[C@H]1C[C@@H](N[C@@H]2C[NH2+]C[C@H](C)C2)CC[NH2+]1 ZINC001246500672 972356570 /nfs/dbraw/zinc/35/65/70/972356570.db2.gz XXWHBXPGRZPACC-ZOBORPQBSA-N 2 0 239.407 1.351 20 0 BDADRP c1ccc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)cc1 ZINC001222085940 972359990 /nfs/dbraw/zinc/35/99/90/972359990.db2.gz PREDKMUGAGKXQC-UHFFFAOYSA-N 2 0 245.370 1.214 20 0 BDADRP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCC12CCCC2 ZINC000707630917 958639002 /nfs/dbraw/zinc/63/90/02/958639002.db2.gz FGAQMFPZCYOZNP-GFCCVEGCSA-N 2 0 240.391 1.754 20 0 BDADRP CC[C@@H]1CO[C@@H](C)C[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000693581584 958869981 /nfs/dbraw/zinc/86/99/81/958869981.db2.gz XWLHVZNHNXEUIX-NNYUYHANSA-N 2 0 212.337 1.223 20 0 BDADRP COCC1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000693580009 958870456 /nfs/dbraw/zinc/87/04/56/958870456.db2.gz RUDNKCYCSQRAAH-TXEJJXNPSA-N 2 0 212.337 1.082 20 0 BDADRP CC1(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCC1 ZINC000382390659 958874179 /nfs/dbraw/zinc/87/41/79/958874179.db2.gz SSMZADBADBXQMV-NWDGAFQWSA-N 2 0 208.349 1.718 20 0 BDADRP CSCC[N@H+](C)CC(C)(C)C[NH+](C)C ZINC001207287347 958886521 /nfs/dbraw/zinc/88/65/21/958886521.db2.gz BPWYEWVZHJYUAA-UHFFFAOYSA-N 2 0 218.410 1.869 20 0 BDADRP C[C@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCS1 ZINC000693587148 958892096 /nfs/dbraw/zinc/89/20/96/958892096.db2.gz YXNLOTQWIWNFQW-GARJFASQSA-N 2 0 214.378 1.551 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cscn1 ZINC000693599096 958926906 /nfs/dbraw/zinc/92/69/06/958926906.db2.gz RQUNYUPXFBDVLK-IWSPIJDZSA-N 2 0 211.334 1.531 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](Cc2ccccc2F)C1 ZINC000690741545 958953472 /nfs/dbraw/zinc/95/34/72/958953472.db2.gz WCEZNRZIZAGQRX-NSHDSACASA-N 2 0 222.307 1.996 20 0 BDADRP CSC[C@H]1CCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000693618669 959006382 /nfs/dbraw/zinc/00/63/82/959006382.db2.gz XRKRHSURDKROJP-OUAUKWLOSA-N 2 0 214.378 1.551 20 0 BDADRP OCC[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222155292 972396824 /nfs/dbraw/zinc/39/68/24/972396824.db2.gz ZHPAAIMLQFNGAW-ZDUSSCGKSA-N 2 0 226.364 1.225 20 0 BDADRP C[C@@H]([NH3+])CN1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222160605 972401467 /nfs/dbraw/zinc/40/14/67/972401467.db2.gz GQQSIPDWBLPVHC-ZIAGYGMSSA-N 2 0 239.407 1.579 20 0 BDADRP CSCC[C@@H](C)[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001246529484 972417150 /nfs/dbraw/zinc/41/71/50/972417150.db2.gz KMQBXEHAFRRZTC-ZJUUUORDSA-N 2 0 202.367 1.551 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2cccnc2)C12CCC2 ZINC000405250071 959425232 /nfs/dbraw/zinc/42/52/32/959425232.db2.gz JFTDRQJUXIFGKN-QWHCGFSZSA-N 2 0 231.343 1.484 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2cccnc2)C12CCC2 ZINC000405250068 959424974 /nfs/dbraw/zinc/42/49/74/959424974.db2.gz JFTDRQJUXIFGKN-OLZOCXBDSA-N 2 0 231.343 1.484 20 0 BDADRP c1ccc([C@@H]2C[C@@H](N3CC[NH2+]CC3)CC[NH2+]2)cc1 ZINC001246530880 972436803 /nfs/dbraw/zinc/43/68/03/972436803.db2.gz QIXPQCWYZZUUII-GJZGRUSLSA-N 2 0 245.370 1.385 20 0 BDADRP CC[C@@H]([NH3+])CN1CCC[C@]12CCC[NH2+]CC2 ZINC001222309175 972438107 /nfs/dbraw/zinc/43/81/07/972438107.db2.gz MSWJNEPKUMLLJV-OLZOCXBDSA-N 2 0 225.380 1.332 20 0 BDADRP C[C@H]1CSC[C@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000308963255 959550217 /nfs/dbraw/zinc/55/02/17/959550217.db2.gz KQMOWRJLUJYFAS-NWDGAFQWSA-N 2 0 228.405 1.813 20 0 BDADRP [NH3+]CCCCCCO[C@@H]1C[NH2+]CCC[C@H]1F ZINC001217772840 959587432 /nfs/dbraw/zinc/58/74/32/959587432.db2.gz DIMRBEYQJRBOFW-VXGBXAGGSA-N 2 0 232.343 1.612 20 0 BDADRP C([C@@H]1CCC[NH2+]1)N1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385024 972451008 /nfs/dbraw/zinc/45/10/08/972451008.db2.gz CXSWQTZQEMXQHO-KBPBESRZSA-N 2 0 237.391 1.347 20 0 BDADRP C[C@]1([NH3+])CC[N@@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246533141 972459330 /nfs/dbraw/zinc/45/93/30/972459330.db2.gz CARKSWYVQJLNEN-OLZOCXBDSA-N 3 0 237.391 1.332 20 0 BDADRP c1cc2c(cc1O[C@@H]1C[C@@H]3C[NH2+]C[C@H]13)CC[NH2+]C2 ZINC001218323898 959978548 /nfs/dbraw/zinc/97/85/48/959978548.db2.gz FDXDNTINAVEVNS-VHDGCEQUSA-N 2 0 244.338 1.319 20 0 BDADRP C[C@H]1C[N@@H+]([C@@H]2CCO[C@H](C)C2)C[C@H]1C[NH3+] ZINC000708863801 959986329 /nfs/dbraw/zinc/98/63/29/959986329.db2.gz QBENWURXWAKFGV-IRCOFANPSA-N 2 0 212.337 1.081 20 0 BDADRP Cc1n[nH]c(C)c1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000709028639 960217750 /nfs/dbraw/zinc/21/77/50/960217750.db2.gz BRLKLPGFIVWLOL-LBPRGKRZSA-N 2 0 236.363 1.587 20 0 BDADRP COCC[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925548167 960319116 /nfs/dbraw/zinc/31/91/16/960319116.db2.gz AAIZNGWLBAPLGI-TUAOUCFPSA-N 2 0 228.380 1.907 20 0 BDADRP CC[C@H](C(=O)NC[C@H](CC)[NH2+]C(C)C)[NH+](C)C ZINC001267827504 960410108 /nfs/dbraw/zinc/41/01/08/960410108.db2.gz KIWWMDGJRBGHGG-NWDGAFQWSA-N 2 0 243.395 1.219 20 0 BDADRP CCC[C@@H]1C[C@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925603398 960435977 /nfs/dbraw/zinc/43/59/77/960435977.db2.gz AKOLXLMXVNFCFN-AXWZBMJISA-N 2 0 220.360 1.761 20 0 BDADRP C[NH+]1CCC(CC[N@@H+]2CCC[C@@](C)(O)C2)CC1 ZINC001207485191 960461505 /nfs/dbraw/zinc/46/15/05/960461505.db2.gz UDBOWYYVLDSEPB-CQSZACIVSA-N 2 0 240.391 1.565 20 0 BDADRP C[C@H]1C[C@H](NCC[NH+]2CCCCC2)CC[NH2+]1 ZINC000709376318 960535865 /nfs/dbraw/zinc/53/58/65/960535865.db2.gz PLXJOLCHFCRFPS-QWHCGFSZSA-N 2 0 225.380 1.202 20 0 BDADRP CC(C)(O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709449357 960615342 /nfs/dbraw/zinc/61/53/42/960615342.db2.gz SBCSZGJWDQOPJC-ZACCUICWSA-N 2 0 212.337 1.020 20 0 BDADRP CSC1CC[NH+]([C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000709449030 960615768 /nfs/dbraw/zinc/61/57/68/960615768.db2.gz NLTMKUFCDZGYFI-QWRGUYRKSA-N 2 0 228.405 1.954 20 0 BDADRP C[C@]1(O)CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000709480464 960619488 /nfs/dbraw/zinc/61/94/88/960619488.db2.gz SMWBDHZMTQHLPH-HNGCFSAESA-N 2 0 224.348 1.116 20 0 BDADRP O[C@H]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000709502249 960626758 /nfs/dbraw/zinc/62/67/58/960626758.db2.gz JWSXSQCEMXOXNJ-MWWBDVBNSA-N 2 0 238.375 1.410 20 0 BDADRP CCC[NH2+]C[C@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001268010507 960728513 /nfs/dbraw/zinc/72/85/13/960728513.db2.gz ORGKEJAOSICAGP-NWDGAFQWSA-N 2 0 243.395 1.079 20 0 BDADRP [NH3+]CCCC[NH+]1CCC2(C[C@@H]2CCO)CC1 ZINC001222521431 972532056 /nfs/dbraw/zinc/53/20/56/972532056.db2.gz RQJWMIRWGFJQLF-LBPRGKRZSA-N 2 0 226.364 1.210 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CCSC[C@H]1CCO ZINC000689822464 960914844 /nfs/dbraw/zinc/91/48/44/960914844.db2.gz SKRUVZCUSDCTNV-GFCCVEGCSA-N 2 0 246.420 1.305 20 0 BDADRP CC[C@@H](CCC(=O)OC)C[N@@H+]1CCC[NH2+]CC1 ZINC001204654959 960995314 /nfs/dbraw/zinc/99/53/14/960995314.db2.gz JXFWZMGZOWTGAH-LBPRGKRZSA-N 2 0 242.363 1.261 20 0 BDADRP [NH2+]=CNc1cccc2c1NC(=O)C21CC[NH2+]CC1 ZINC001167866760 961349594 /nfs/dbraw/zinc/34/95/94/961349594.db2.gz DNGWABNNOMIHPA-UHFFFAOYSA-N 2 0 244.298 1.279 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@H]2CCCSC2)CC1 ZINC000061589306 961366514 /nfs/dbraw/zinc/36/65/14/961366514.db2.gz FFUQAZMABNWCAI-GFCCVEGCSA-N 2 0 228.405 1.813 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCO[C@H](C(F)F)CC2)C1 ZINC000687576257 961823332 /nfs/dbraw/zinc/82/33/32/961823332.db2.gz KQIHYXSWZMMYGJ-AEJSXWLSSA-N 2 0 234.290 1.080 20 0 BDADRP [NH2+]=C(Nc1ccc2c(c1)C[NH2+]C2)SCC[NH3+] ZINC001167915762 961854468 /nfs/dbraw/zinc/85/44/68/961854468.db2.gz XUEVWVOWVMYPFJ-UHFFFAOYSA-N 3 0 236.344 1.328 20 0 BDADRP Nc1ccccc1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206641026 962276509 /nfs/dbraw/zinc/27/65/09/962276509.db2.gz RGAFLSTZWZLCBC-LBPRGKRZSA-N 2 0 233.359 1.830 20 0 BDADRP CN(C)c1cccc(N[C@H]2CCC[C@@H]([NH3+])C2)[nH+]1 ZINC001154976952 962926886 /nfs/dbraw/zinc/92/68/86/962926886.db2.gz LWNBDXVLZPVYNJ-MNOVXSKESA-N 2 0 234.347 1.829 20 0 BDADRP Cn1ccc2c1cc[nH+]c2NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001155033498 962946453 /nfs/dbraw/zinc/94/64/53/962946453.db2.gz IAGKMFHMHLJWNX-UWVGGRQHSA-N 2 0 248.305 1.685 20 0 BDADRP Cc1cc[nH+]c(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)c1 ZINC001155479836 963085167 /nfs/dbraw/zinc/08/51/67/963085167.db2.gz HFVDDUBPHQHKLZ-IJLUTSLNSA-N 2 0 233.315 1.036 20 0 BDADRP N[C@H]1C[N@H+](CCCCCC[NH3+])CCC1(F)F ZINC001206657029 963126649 /nfs/dbraw/zinc/12/66/49/963126649.db2.gz OGAQMZITPMFSMH-JTQLQIEISA-N 2 0 235.322 1.174 20 0 BDADRP Cc1nc(N[C@@H](C)C[NH+](C)C)cc(N(C)C)[nH+]1 ZINC001155915821 963201154 /nfs/dbraw/zinc/20/11/54/963201154.db2.gz ZETFEBDEKWXSPI-VIFPVBQESA-N 2 0 237.351 1.213 20 0 BDADRP CCCN(C)c1cccc(N2CCC([NH3+])CC2)[nH+]1 ZINC001156878614 963479616 /nfs/dbraw/zinc/47/96/16/963479616.db2.gz ZFOWAJAPKZJEFG-UHFFFAOYSA-N 2 0 248.374 1.855 20 0 BDADRP [NH2+]=C(NCCCC[NH3+])Nc1ccc(C2CC2)nn1 ZINC001157096966 963531314 /nfs/dbraw/zinc/53/13/14/963531314.db2.gz PSTTXGKJNLNUFL-UHFFFAOYSA-N 2 0 248.334 1.029 20 0 BDADRP OCCC1CC[NH+](C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000697029332 963663355 /nfs/dbraw/zinc/66/33/55/963663355.db2.gz LZKLIHXDQNWPGN-CQSZACIVSA-N 2 0 240.391 1.471 20 0 BDADRP C[NH+](C)CC(C)(C)CNc1ncc2c(n1)C[NH2+]C2 ZINC001157942284 963778939 /nfs/dbraw/zinc/77/89/39/963778939.db2.gz UCYRHIBXPNSSLG-UHFFFAOYSA-N 2 0 249.362 1.080 20 0 BDADRP C[NH+](C)Cc1ccnc(N2CC[N@@H+]3CC[C@H]3C2)c1 ZINC001158431096 963872118 /nfs/dbraw/zinc/87/21/18/963872118.db2.gz NJBLJNDJWBTFCN-ZDUSSCGKSA-N 2 0 246.358 1.038 20 0 BDADRP C[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)C[C@H](C)[C@H]1O ZINC000697238810 963874063 /nfs/dbraw/zinc/87/40/63/963874063.db2.gz LMNIPXHGOIZYIS-IMRBUKKESA-N 2 0 240.391 1.277 20 0 BDADRP [NH3+]Cc1ccn(-c2cc(N3CCCC3)cc[nH+]2)c1 ZINC001158767489 963921375 /nfs/dbraw/zinc/92/13/75/963921375.db2.gz ZGMXONIMPOBXDZ-UHFFFAOYSA-N 2 0 242.326 1.931 20 0 BDADRP Cc1nc(N(C)C(C)(C)C[NH3+])cc(N(C)C)[nH+]1 ZINC001159052018 963986524 /nfs/dbraw/zinc/98/65/24/963986524.db2.gz YRBCNFWAIZMGNW-UHFFFAOYSA-N 2 0 237.351 1.025 20 0 BDADRP COc1ccc2c(c1)C[C@@H](N1CCC[C@H]([NH3+])C1)C2 ZINC001168234521 964029338 /nfs/dbraw/zinc/02/93/38/964029338.db2.gz BBHQTZGKQOQCAP-KBPBESRZSA-N 2 0 246.354 1.586 20 0 BDADRP CC(C)c1ccc(N[C@@H]([NH3+])CCC[NH3+])nc1 ZINC001159783043 964196040 /nfs/dbraw/zinc/19/60/40/964196040.db2.gz AQYAIKOHPYQKKE-LLVKDONJSA-N 2 0 222.336 1.641 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1cnc2ccc(F)cc2n1 ZINC001159783981 964197370 /nfs/dbraw/zinc/19/73/70/964197370.db2.gz FXYXFWQCDZAAJW-NSHDSACASA-N 2 0 249.293 1.205 20 0 BDADRP COc1cnc(N[C@H]([NH3+])CCC[NH3+])c(Cl)c1 ZINC001159786491 964203093 /nfs/dbraw/zinc/20/30/93/964203093.db2.gz BKJLDIDODOGBAI-VIFPVBQESA-N 2 0 244.726 1.179 20 0 BDADRP Cc1cc(N[C@H]([NH3+])CCC[NH3+])nc2ccccc12 ZINC001159786383 964203188 /nfs/dbraw/zinc/20/31/88/964203188.db2.gz ZEAXBZSCRXOVCG-ZDUSSCGKSA-N 2 0 244.342 1.979 20 0 BDADRP C1=C(Nc2ccccc2O[C@@H]2CC[NH2+]C2)C[NH2+]C1 ZINC001160167543 964261510 /nfs/dbraw/zinc/26/15/10/964261510.db2.gz RSDDGYZZJWHBCG-GFCCVEGCSA-N 2 0 245.326 1.326 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)[C@H]2CC[C@@H]2[NH3+])cc1 ZINC001160443390 964302715 /nfs/dbraw/zinc/30/27/15/964302715.db2.gz IRQXEJDFSLSDTF-RYUDHWBXSA-N 2 0 233.315 1.082 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@H]2CCOC[C@H]2F)CC1 ZINC001168299897 964391017 /nfs/dbraw/zinc/39/10/17/964391017.db2.gz PWASNAICSZHFOG-TUUUFIMRSA-N 2 0 244.354 1.576 20 0 BDADRP C[C@H]1C[N@@H+](C2CCC([NH+](C)C)CC2)CC[C@@H]1O ZINC001168313691 964416154 /nfs/dbraw/zinc/41/61/54/964416154.db2.gz GDQXETHIGICRHB-ABXWRUBCSA-N 2 0 240.391 1.562 20 0 BDADRP C[NH+](C)C1CCC(n2ncc3c2CC[NH2+]C3)CC1 ZINC001168314063 964420078 /nfs/dbraw/zinc/42/00/78/964420078.db2.gz JFGCAIAESYLZMM-UHFFFAOYSA-N 2 0 248.374 1.574 20 0 BDADRP C[NH+](C)C1CCC([N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001168313431 964421288 /nfs/dbraw/zinc/42/12/88/964421288.db2.gz CRDWWJGPCUWUAX-LLZFXZEUSA-N 2 0 238.375 1.722 20 0 BDADRP COCC[N@H+](C)C1CCC([NH+](C)C)CC1 ZINC001168314863 964426148 /nfs/dbraw/zinc/42/61/48/964426148.db2.gz GRANNRMMUWRISE-UHFFFAOYSA-N 2 0 214.353 1.437 20 0 BDADRP C[NH+](C)C1CCC([N@H+](C)C2COC2)CC1 ZINC001168324237 964447072 /nfs/dbraw/zinc/44/70/72/964447072.db2.gz LKKUBQJMGTTWMY-UHFFFAOYSA-N 2 0 212.337 1.190 20 0 BDADRP CC[N@H+](CC(=O)OC)C1CCC([NH+](C)C)CC1 ZINC001168330507 964464538 /nfs/dbraw/zinc/46/45/38/964464538.db2.gz RADRVFINXDIBCC-UHFFFAOYSA-N 2 0 242.363 1.354 20 0 BDADRP c1cnn(CC[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC001168353405 964493612 /nfs/dbraw/zinc/49/36/12/964493612.db2.gz NYFOFACGIMYBAH-UHFFFAOYSA-N 2 0 248.374 1.347 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+]CC[C@@H](C)[NH+](C)C)C12CCC2 ZINC000697824306 964539361 /nfs/dbraw/zinc/53/93/61/964539361.db2.gz BQYQKKRVHQIBOP-FRRDWIJNSA-N 2 0 240.391 1.874 20 0 BDADRP [NH3+]C[C@@H]1CCCN1C1CC[NH+](CC2CC2)CC1 ZINC001168358916 964542297 /nfs/dbraw/zinc/54/22/97/964542297.db2.gz XTOMMYHHMFZBHK-AWEZNQCLSA-N 2 0 237.391 1.284 20 0 BDADRP COCC[C@H](C)[NH2+]CC[C@@H](C)[NH+](C)C ZINC000697870294 964595928 /nfs/dbraw/zinc/59/59/28/964595928.db2.gz KNOSDDLXFRFYTQ-WDEREUQCSA-N 2 0 202.342 1.341 20 0 BDADRP C[C@@H](CC[NH2+][C@H]1CS[C@H](C)C1)[NH+](C)C ZINC000697872910 964600028 /nfs/dbraw/zinc/60/00/28/964600028.db2.gz SETARAPDQSRLIY-HBNTYKKESA-N 2 0 216.394 1.810 20 0 BDADRP C[C@@H](CC[NH2+][C@@H]1CS[C@H](C)C1)[NH+](C)C ZINC000697872897 964600201 /nfs/dbraw/zinc/60/02/01/964600201.db2.gz SETARAPDQSRLIY-AXFHLTTASA-N 2 0 216.394 1.810 20 0 BDADRP C[C@H](CCN[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000697908963 964675738 /nfs/dbraw/zinc/67/57/38/964675738.db2.gz OPBZYSCCGWPZIU-AGIUHOORSA-N 2 0 227.396 1.399 20 0 BDADRP [NH3+]CCCC[NH2+]CCCNc1cc(F)ccn1 ZINC001162289353 964899368 /nfs/dbraw/zinc/89/93/68/964899368.db2.gz PRHUKXSQZUUHOY-UHFFFAOYSA-N 2 0 240.326 1.351 20 0 BDADRP CN(C)c1cccc(N[C@H]2C[C@@](C)([NH3+])C2)[nH+]1 ZINC001162325305 964931970 /nfs/dbraw/zinc/93/19/70/964931970.db2.gz VBXLOGGRUITVGF-WVSHTKLVSA-N 2 0 220.320 1.439 20 0 BDADRP OC1CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168371577 964941656 /nfs/dbraw/zinc/94/16/56/964941656.db2.gz OQXDAJRRDUXLJN-UHFFFAOYSA-N 2 0 238.375 1.318 20 0 BDADRP C[n+]1cccc(N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC001162403490 964963283 /nfs/dbraw/zinc/96/32/83/964963283.db2.gz DNSHZNGACJPOJB-MNOVXSKESA-N 2 0 206.313 1.193 20 0 BDADRP C[C@H]1C[NH2+]CCC[C@H]1C[NH2+]c1cccc(=O)n1C ZINC001162465688 964987681 /nfs/dbraw/zinc/98/76/81/964987681.db2.gz JFKSSQDANAZTMR-RYUDHWBXSA-N 2 0 249.358 1.433 20 0 BDADRP C[C@@H]1C[C@@H](CNc2ccccc2CC[NH3+])C[NH2+]1 ZINC001162558998 965048596 /nfs/dbraw/zinc/04/85/96/965048596.db2.gz IGMWRFNTRKCVSX-VXGBXAGGSA-N 2 0 233.359 1.598 20 0 BDADRP C/C=C(\NC=[NH2+])NC[C@@]1(F)CCCC[NH2+]C1 ZINC001162579118 965052953 /nfs/dbraw/zinc/05/29/53/965052953.db2.gz FTHVCVGGVNDTMN-ACHGEACHSA-N 2 0 228.315 1.116 20 0 BDADRP CC(C)(C)C(=[NH2+])Nc1ccnc(C[NH3+])c1 ZINC001162664289 965097155 /nfs/dbraw/zinc/09/71/55/965097155.db2.gz BQACFOSKVQSSHH-UHFFFAOYSA-N 2 0 206.293 1.976 20 0 BDADRP Cc1cc(C)[nH+]c(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)c1 ZINC001162790816 965175346 /nfs/dbraw/zinc/17/53/46/965175346.db2.gz WCGXSBGBKKOSSL-FRRDWIJNSA-N 2 0 229.327 1.884 20 0 BDADRP F[C@H]1C[NH2+]CC[C@H]1CNc1[nH+]ccc2[nH]ccc21 ZINC001162801557 965186104 /nfs/dbraw/zinc/18/61/04/965186104.db2.gz BMNRQHAQCMFGEZ-ONGXEEELSA-N 2 0 248.305 1.922 20 0 BDADRP F[C@H]1C[NH2+]CC[C@H]1CNc1cc2[nH]ccc2c[nH+]1 ZINC001162802150 965189321 /nfs/dbraw/zinc/18/93/21/965189321.db2.gz NKMBUGWKJBWJKS-ONGXEEELSA-N 2 0 248.305 1.922 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@@H]1CCc2cc(F)ccc2C1 ZINC001168414296 965319836 /nfs/dbraw/zinc/31/98/36/965319836.db2.gz DOBFOGKIKFJUOT-IINYFYTJSA-N 2 0 236.334 1.867 20 0 BDADRP c1cc(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)cc[nH+]1 ZINC001163268194 965327024 /nfs/dbraw/zinc/32/70/24/965327024.db2.gz CAQNAYAIRZJIIG-TZMCWYRMSA-N 2 0 247.342 1.074 20 0 BDADRP C[NH+](C)Cc1ccnc(NCC2([NH3+])CCC2)c1 ZINC001163328627 965335612 /nfs/dbraw/zinc/33/56/12/965335612.db2.gz XVGNYKJEYNIIDP-UHFFFAOYSA-N 2 0 234.347 1.437 20 0 BDADRP CCCOCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000714970718 965574532 /nfs/dbraw/zinc/57/45/32/965574532.db2.gz CZIXFGDLNZLROD-FOSCPWQOSA-N 2 0 212.337 1.286 20 0 BDADRP C[C@@H](C[NH+](C)C)Nc1ccc2c(n1)C[NH2+]CC2 ZINC001163772733 965576116 /nfs/dbraw/zinc/57/61/16/965576116.db2.gz ONYJCHFCJQJGFV-JTQLQIEISA-N 2 0 234.347 1.089 20 0 BDADRP C[C@H](C[NH+](C)C)Nc1cccc(C[NH+](C)C)n1 ZINC001163778217 965583557 /nfs/dbraw/zinc/58/35/57/965583557.db2.gz DUSWQHUQGFVJHK-LLVKDONJSA-N 2 0 236.363 1.505 20 0 BDADRP C[C@@H](C[NH+](C)C)Nc1cccc2c1CC[C@@H]2[NH3+] ZINC001163782545 965586953 /nfs/dbraw/zinc/58/69/53/965586953.db2.gz KWNRYGSYOOFPAS-GWCFXTLKSA-N 2 0 233.359 1.995 20 0 BDADRP Cc1cc(C[NH3+])nn1-c1ccc(C2([NH3+])CC2)cc1 ZINC001163984691 965680367 /nfs/dbraw/zinc/68/03/67/965680367.db2.gz ARPIUVUDGOMHHA-UHFFFAOYSA-N 2 0 242.326 1.587 20 0 BDADRP [NH3+][C@H]1CCC[N@H+](Cc2ccc(CO)cc2)CC1 ZINC001205094210 965727143 /nfs/dbraw/zinc/72/71/43/965727143.db2.gz KMRKTJARVJRISQ-AWEZNQCLSA-N 2 0 234.343 1.492 20 0 BDADRP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(CO)cc2)CC1 ZINC001205094222 965727184 /nfs/dbraw/zinc/72/71/84/965727184.db2.gz KMRKTJARVJRISQ-CQSZACIVSA-N 2 0 234.343 1.492 20 0 BDADRP CC[C@@H]1COCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699209219 965812814 /nfs/dbraw/zinc/81/28/14/965812814.db2.gz IAKJHGIWASCBDR-WTUNAVPPSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@H]1CC[C@@H](C[NH3+])CN1c1cc(N)cc[nH+]1 ZINC001164456338 965890210 /nfs/dbraw/zinc/89/02/10/965890210.db2.gz LCNMCLWTYQVLGN-UWVGGRQHSA-N 2 0 220.320 1.227 20 0 BDADRP CC[C@@H]1COC[C@H]1[NH2+]CCC[N@H+](C)C(C)C ZINC000699552770 965963390 /nfs/dbraw/zinc/96/33/90/965963390.db2.gz LLGIZANELJUNEW-CHWSQXEVSA-N 2 0 228.380 1.731 20 0 BDADRP Cc1c[nH+]c(N2C[C@@H]3C[C@]3(C[NH+](C)C)C2)cc1N ZINC001165183790 965976715 /nfs/dbraw/zinc/97/67/15/965976715.db2.gz GGCWXWWXGIAPCA-FZMZJTMJSA-N 2 0 246.358 1.360 20 0 BDADRP c1cc2c(cc[nH+]c2N2CCC[C@@H]3[NH2+]C[C@@H]32)[nH]1 ZINC001165388731 966083888 /nfs/dbraw/zinc/08/38/88/966083888.db2.gz ZOCZRKZEZNHIFK-RYUDHWBXSA-N 2 0 228.299 1.504 20 0 BDADRP c1cc2c(cc[nH+]c2N2CCC[C@H]3[NH2+]C[C@H]32)[nH]1 ZINC001165388732 966085099 /nfs/dbraw/zinc/08/50/99/966085099.db2.gz ZOCZRKZEZNHIFK-VXGBXAGGSA-N 2 0 228.299 1.504 20 0 BDADRP [NH3+]CCN(CC[NH3+])Cc1ccc2ccccc2c1 ZINC001235877383 966126987 /nfs/dbraw/zinc/12/69/87/966126987.db2.gz OPDMAYCMICKXBT-UHFFFAOYSA-N 2 0 243.354 1.559 20 0 BDADRP CC(C)=CC[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165781554 966160391 /nfs/dbraw/zinc/16/03/91/966160391.db2.gz VJOBXEACAWXYLO-UHFFFAOYSA-N 2 0 241.379 1.000 20 0 BDADRP Cc1[nH]c2ccc(N[C@H]3CC[N@@H+](C)C3)cc2[nH+]1 ZINC000061988608 966181028 /nfs/dbraw/zinc/18/10/28/966181028.db2.gz DUEKIEYZIPNXKZ-NSHDSACASA-N 2 0 230.315 1.987 20 0 BDADRP [NH3+][C@@]12CC[C@@H]1CN(Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001235994195 966219209 /nfs/dbraw/zinc/21/92/09/966219209.db2.gz UWTHLHYRFQKKCU-BXUZGUMPSA-N 2 0 242.326 1.486 20 0 BDADRP C[NH2+][C@H]1CCN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC001236167015 966279040 /nfs/dbraw/zinc/27/90/40/966279040.db2.gz LEHJTQWEKDEFIN-CQSZACIVSA-N 2 0 231.343 1.084 20 0 BDADRP CO[C@@H]1C[N@H+](C[C@]2(C)CCC[NH2+]C2)CC[C@H]1C ZINC000300005159 966489155 /nfs/dbraw/zinc/48/91/55/966489155.db2.gz KZCFNPJKNPMZGZ-MGPQQGTHSA-N 2 0 240.391 1.733 20 0 BDADRP Cn1cccc1C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001203267724 966592655 /nfs/dbraw/zinc/59/26/55/966592655.db2.gz XHJIGWBMFOPKPZ-UHFFFAOYSA-N 2 0 233.359 1.553 20 0 BDADRP C[N@@H+]1CCC[C@@H](CN2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000094449203 966891363 /nfs/dbraw/zinc/89/13/63/966891363.db2.gz JDYMJYYEKNBWBJ-ZIAGYGMSSA-N 2 0 237.391 1.108 20 0 BDADRP CCC1(Nc2cccc(C[NH+](C)C)n2)C[NH2+]C1 ZINC001168583891 966933095 /nfs/dbraw/zinc/93/30/95/966933095.db2.gz UAFDLMVUFMIVJX-UHFFFAOYSA-N 2 0 234.347 1.307 20 0 BDADRP C[NH+](C)C1CCC([NH2+]C[C@H]2CC[N@H+](C)C2)CC1 ZINC000715520277 966943310 /nfs/dbraw/zinc/94/33/10/966943310.db2.gz WQAGBCWLSIEAKC-IYXRBSQSSA-N 3 0 239.407 1.401 20 0 BDADRP CO[C@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)C1(C)C ZINC000300641623 966990348 /nfs/dbraw/zinc/99/03/48/966990348.db2.gz NOCCIGLQJAOPGM-STQMWFEESA-N 2 0 240.391 1.731 20 0 BDADRP C[NH+](C)CCN1CC2(C1)C[NH+](C1CCCC1)C2 ZINC001276463377 966996313 /nfs/dbraw/zinc/99/63/13/966996313.db2.gz MCCHSNLKDCEHRK-UHFFFAOYSA-N 2 0 237.391 1.108 20 0 BDADRP Cc1c(C[NH+]2CC3(C2)CC[NH+](C)CC3)cnn1C ZINC001204571601 967054395 /nfs/dbraw/zinc/05/43/95/967054395.db2.gz AHPZVJUCPAOJDT-UHFFFAOYSA-N 2 0 248.374 1.256 20 0 BDADRP [NH3+]CC1CC[NH+](CC[C@H]2CCCC[NH2+]2)CC1 ZINC001205026206 967142843 /nfs/dbraw/zinc/14/28/43/967142843.db2.gz OPUYSADJBVNFHS-CYBMUJFWSA-N 3 0 225.380 1.189 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C2CCC([NH+](C)C)CC2)CN1 ZINC000715557520 967161687 /nfs/dbraw/zinc/16/16/87/967161687.db2.gz JMBXTSXPNYXUMW-ZIHBUVQPSA-N 2 0 239.407 1.589 20 0 BDADRP C[C@@]1([NH3+])CCN(Cc2cccc(C[NH3+])c2)C1 ZINC001204801262 967174134 /nfs/dbraw/zinc/17/41/34/967174134.db2.gz MDZNOHHPRHHBTO-CYBMUJFWSA-N 2 0 219.332 1.068 20 0 BDADRP COC(=O)C[C@@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715582466 967195840 /nfs/dbraw/zinc/19/58/40/967195840.db2.gz GFEDVRBNHIOKTQ-VOMCLLRMSA-N 2 0 242.363 1.400 20 0 BDADRP [NH3+]CCCC[N@@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001204847766 967195896 /nfs/dbraw/zinc/19/58/96/967195896.db2.gz GGKCXOXTESALEV-SECBINFHSA-N 2 0 224.270 1.795 20 0 BDADRP [NH3+]C[C@@H]1CCCCN1CC[C@@H]1CCCC[NH2+]1 ZINC001204925367 967238565 /nfs/dbraw/zinc/23/85/65/967238565.db2.gz RSFAHHHTRZVFIL-STQMWFEESA-N 2 0 225.380 1.332 20 0 BDADRP C[C@]1([NH3+])CCCN(Cc2cccc(C[NH3+])c2)C1 ZINC001204946188 967252749 /nfs/dbraw/zinc/25/27/49/967252749.db2.gz LXIZDVVKTGPXFP-AWEZNQCLSA-N 2 0 233.359 1.459 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000721934328 967256593 /nfs/dbraw/zinc/25/65/93/967256593.db2.gz YIQMFJWXDSDSDA-PDWCTOEPSA-N 2 0 238.375 1.471 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCCCC[C@@H]2CO)CC1 ZINC000691349742 967258701 /nfs/dbraw/zinc/25/87/01/967258701.db2.gz KDEXQUINGBDGPO-CQSZACIVSA-N 2 0 240.391 1.565 20 0 BDADRP CC[C@@H](CO)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000691350299 967260443 /nfs/dbraw/zinc/26/04/43/967260443.db2.gz NNLBHRCRECOFFG-LBPRGKRZSA-N 2 0 214.353 1.031 20 0 BDADRP C[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)CC[C@H]1O ZINC000691350807 967260770 /nfs/dbraw/zinc/26/07/70/967260770.db2.gz QTKXDFXUDDVWTL-DGCLKSJQSA-N 2 0 226.364 1.031 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H](C)C(C)(C)O)CC1 ZINC000083727616 967265146 /nfs/dbraw/zinc/26/51/46/967265146.db2.gz IYCCIENZHUREKW-NSHDSACASA-N 2 0 228.380 1.467 20 0 BDADRP C[NH2+]C[C@@H]1CCCN(CC[C@@H]2CCCC[NH2+]2)C1 ZINC001205000901 967283504 /nfs/dbraw/zinc/28/35/04/967283504.db2.gz MOIHWQXTDBFSLV-KBPBESRZSA-N 2 0 239.407 1.450 20 0 BDADRP CCc1n[nH]cc1C[NH+]1CCC(C[NH3+])CC1 ZINC001205052765 967308505 /nfs/dbraw/zinc/30/85/05/967308505.db2.gz CIDSSCRAKHARAQ-UHFFFAOYSA-N 2 0 222.336 1.143 20 0 BDADRP COc1ccnc(C[NH+]2CCC(C[NH3+])CC2)c1 ZINC001205047450 967310080 /nfs/dbraw/zinc/31/00/80/967310080.db2.gz UIWVGACVHVPBKM-UHFFFAOYSA-N 2 0 235.331 1.261 20 0 BDADRP C[C@H]1CC[C@@H](C[NH3+])N1Cc1cccc2c1NCC2 ZINC001205087665 967329945 /nfs/dbraw/zinc/32/99/45/967329945.db2.gz GJUNSOVJZWTJHN-FZMZJTMJSA-N 2 0 245.370 1.966 20 0 BDADRP [NH3+]Cc1cccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205124106 967370771 /nfs/dbraw/zinc/37/07/71/967370771.db2.gz KFULKOVTKLYWMT-CQSZACIVSA-N 3 0 233.359 1.459 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCN1CCC[NH2+]C1CCCCC1 ZINC001205177344 967413271 /nfs/dbraw/zinc/41/32/71/967413271.db2.gz LKUIRWFCUWIUDT-TZMCWYRMSA-N 2 0 239.407 1.720 20 0 BDADRP C[C@]1([NH3+])CCC[N@H+](CCC2CC[NH2+]CC2)CC1 ZINC001205257249 967447712 /nfs/dbraw/zinc/44/77/12/967447712.db2.gz UWAJDWPLMKMIAX-AWEZNQCLSA-N 3 0 239.407 1.579 20 0 BDADRP C[C@@]1([NH3+])CCC[N@H+](Cc2ncccc2N)CC1 ZINC001205266943 967457034 /nfs/dbraw/zinc/45/70/34/967457034.db2.gz YNEHLUUEZQDTLV-CYBMUJFWSA-N 2 0 234.347 1.367 20 0 BDADRP Cc1cc(N(C)C)[nH+]cc1CCC[NH+](C)C ZINC001250164773 967459835 /nfs/dbraw/zinc/45/98/35/967459835.db2.gz NVKJYWLZHFYFHN-UHFFFAOYSA-N 2 0 221.348 1.950 20 0 BDADRP CCc1n[nH]cc1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205288624 967484105 /nfs/dbraw/zinc/48/41/05/967484105.db2.gz MHLUFVWFGOTMAB-ZDUSSCGKSA-N 2 0 236.363 1.675 20 0 BDADRP C[C@@H]1CC[N@H+](CC2(C)CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC001205296173 967495442 /nfs/dbraw/zinc/49/54/42/967495442.db2.gz IIFZAYAWHVMGAL-OLZOCXBDSA-N 3 0 239.407 1.293 20 0 BDADRP C[C@@H]1CCN(C[C@@H]2CCCC[NH2+]2)C[C@@H]1C[NH3+] ZINC001205296128 967496475 /nfs/dbraw/zinc/49/64/75/967496475.db2.gz HNHGGBYTTJCYHF-AGIUHOORSA-N 2 0 225.380 1.045 20 0 BDADRP C[C@H]1CC[NH2+]CCN1Cc1ccc2c(c1)C[NH2+]C2 ZINC001205332035 967547687 /nfs/dbraw/zinc/54/76/87/967547687.db2.gz MOLNGOAWUXEZJN-LBPRGKRZSA-N 2 0 245.370 1.474 20 0 BDADRP C[C@H]1CC[NH2+]CCN1Cc1cccc(C[NH3+])c1 ZINC001205332285 967549987 /nfs/dbraw/zinc/54/99/87/967549987.db2.gz NOIQFZLNVBLCNN-LBPRGKRZSA-N 2 0 233.359 1.329 20 0 BDADRP Cn1cnc(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)c1 ZINC001205545384 967686124 /nfs/dbraw/zinc/68/61/24/967686124.db2.gz FYCQXWQKXYAHKI-LBPRGKRZSA-N 2 0 240.326 1.073 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)CC[C@H]1C[NH3+] ZINC001205601623 967717016 /nfs/dbraw/zinc/71/70/16/967717016.db2.gz FKKMZYSTOKXDFO-RDBSUJKOSA-N 3 0 239.407 1.293 20 0 BDADRP C[C@H]1CC[N@H+](CC2CC[NH2+]CC2)CC[C@H]1C[NH3+] ZINC001205603588 967718705 /nfs/dbraw/zinc/71/87/05/967718705.db2.gz QPPVIVSCBJDSBY-JSGCOSHPSA-N 3 0 239.407 1.293 20 0 BDADRP C[C@@H]1CC[N@H+](CCCCO)CC[C@@H]1C[NH3+] ZINC001205601967 967719097 /nfs/dbraw/zinc/71/90/97/967719097.db2.gz HGOQDRSBZZEYRX-VXGBXAGGSA-N 2 0 214.353 1.066 20 0 BDADRP COCOCCC[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205603670 967721855 /nfs/dbraw/zinc/72/18/55/967721855.db2.gz RWKHIYNGXMHOPD-STQMWFEESA-N 2 0 244.379 1.304 20 0 BDADRP Cc1cnc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cn1 ZINC001205617763 967724048 /nfs/dbraw/zinc/72/40/48/967724048.db2.gz NHJNAIQCYOVYRD-DGCLKSJQSA-N 2 0 248.374 1.592 20 0 BDADRP C[C@H]1CC[N@H+](Cc2cccc(=O)[nH]2)CC[C@H]1C[NH3+] ZINC001205618913 967726515 /nfs/dbraw/zinc/72/65/15/967726515.db2.gz ZCTMFQGKGYHWKX-RYUDHWBXSA-N 2 0 249.358 1.594 20 0 BDADRP CC(C)(C)C[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205662457 967748607 /nfs/dbraw/zinc/74/86/07/967748607.db2.gz BBSGRQLEVWXYJC-LBPRGKRZSA-N 2 0 214.353 1.208 20 0 BDADRP Cc1nonc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205655369 967751741 /nfs/dbraw/zinc/75/17/41/967751741.db2.gz ZPFVIUMSOBLGDT-ONGXEEELSA-N 2 0 238.335 1.185 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CC[C@@H](O)C2(C)C)CC1 ZINC001205974109 967925596 /nfs/dbraw/zinc/92/55/96/967925596.db2.gz LWSOVRJPBOHJKH-CYBMUJFWSA-N 2 0 240.391 1.564 20 0 BDADRP C[C@H]1C[N@H+](CCCCO)CCC[C@H]1C[NH3+] ZINC001205984679 967933175 /nfs/dbraw/zinc/93/31/75/967933175.db2.gz UCWISLVJOUMVPP-RYUDHWBXSA-N 2 0 214.353 1.066 20 0 BDADRP C[C@@H]1C[N@H+](CCCCCO)CCC[C@H]1C[NH3+] ZINC001205984699 967936624 /nfs/dbraw/zinc/93/66/24/967936624.db2.gz UJXRSJPKYLTDIK-OLZOCXBDSA-N 2 0 228.380 1.456 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cncn2C)CCC[C@H]1C[NH3+] ZINC001205994680 967949535 /nfs/dbraw/zinc/94/95/35/967949535.db2.gz LVGKXVKFPFFAFJ-NEPJUHHUSA-N 2 0 236.363 1.227 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccncc2)CCC[C@H]1C[NH3+] ZINC001205996393 967950887 /nfs/dbraw/zinc/95/08/87/967950887.db2.gz WSWLFXZWXUGSEA-OCCSQVGLSA-N 2 0 233.359 1.888 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccncc2)CCC[C@@H]1C[NH3+] ZINC001205996394 967951014 /nfs/dbraw/zinc/95/10/14/967951014.db2.gz WSWLFXZWXUGSEA-TZMCWYRMSA-N 2 0 233.359 1.888 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cnco2)CCC[C@H]1C[NH3+] ZINC001206004780 967961425 /nfs/dbraw/zinc/96/14/25/967961425.db2.gz VIUPGCCHIFUMPB-MNOVXSKESA-N 2 0 223.320 1.481 20 0 BDADRP [NH3+]CCc1ccccc1N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001162982769 967967195 /nfs/dbraw/zinc/96/71/95/967967195.db2.gz KWOAEEARRRQEHE-LSDHHAIUSA-N 2 0 245.370 1.884 20 0 BDADRP C[C@@H]1CCN(Cc2ccc(C[NH3+])cc2)C[C@H]1[NH3+] ZINC001206043472 968008230 /nfs/dbraw/zinc/00/82/30/968008230.db2.gz GKIAYEPOGHLCQU-BXUZGUMPSA-N 3 0 233.359 1.314 20 0 BDADRP C/C=C(\NC=[NH2+])NCC(C)(C)C[NH+](C)C ZINC001168763398 968061385 /nfs/dbraw/zinc/06/13/85/968061385.db2.gz FKIKWRSNXPBIMV-POHAHGRESA-N 2 0 212.341 1.222 20 0 BDADRP CC[NH+](CC)CC(=O)NCCC[NH2+]CC(C)C ZINC001168763168 968062389 /nfs/dbraw/zinc/06/23/89/968062389.db2.gz KZZWUKVYRYWWTD-UHFFFAOYSA-N 2 0 243.395 1.080 20 0 BDADRP C[NH2+]C1CN(c2ccc(C[N@H+](C)C3CC3)cn2)C1 ZINC001163704580 968102471 /nfs/dbraw/zinc/10/24/71/968102471.db2.gz APWJRLUXFSJDDY-UHFFFAOYSA-N 2 0 246.358 1.084 20 0 BDADRP [NH3+][C@@H]1CC[N@H+](Cc2ccc(O)cc2)CC[C@H]1F ZINC001206163524 968105070 /nfs/dbraw/zinc/10/50/70/968105070.db2.gz DEMOOEZOKVEPQP-CHWSQXEVSA-N 2 0 238.306 1.653 20 0 BDADRP CC(C)[N@H+](C)CCCNC1=[NH+]CCCCN1 ZINC000697706414 968105582 /nfs/dbraw/zinc/10/55/82/968105582.db2.gz IYJYCNSTFQOORL-UHFFFAOYSA-N 2 0 226.368 1.046 20 0 BDADRP [NH3+][C@@H]1CC[N@H+](Cc2ccncc2[O-])CC[C@H]1F ZINC001206175662 968110644 /nfs/dbraw/zinc/11/06/44/968110644.db2.gz WYUROWSQWVWQHG-GHMZBOCLSA-N 2 0 239.294 1.048 20 0 BDADRP C[C@]1(C[NH3+])CCCN(C[C@H]2CCC[NH2+]2)CC1 ZINC001206295817 968194421 /nfs/dbraw/zinc/19/44/21/968194421.db2.gz NYCMRIBNYBJDSM-OLZOCXBDSA-N 2 0 225.380 1.189 20 0 BDADRP [NH3+]CCONc1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC001164438542 968233439 /nfs/dbraw/zinc/23/34/39/968233439.db2.gz AFFVUSVSXYRFSY-GFCCVEGCSA-N 2 0 235.331 1.456 20 0 BDADRP [NH3+]C[C@@]1(F)CCCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC001206337912 968243206 /nfs/dbraw/zinc/24/32/06/968243206.db2.gz WUNNTGWEKHYBAW-OLZOCXBDSA-N 2 0 243.370 1.139 20 0 BDADRP C[NH+](C)CCn1cc(-c2cccc(C[NH3+])c2)cn1 ZINC001206340292 968243450 /nfs/dbraw/zinc/24/34/50/968243450.db2.gz FACHFXXDMAUKSP-UHFFFAOYSA-N 2 0 244.342 1.570 20 0 BDADRP [NH3+]CCCC[N@@H+]1CC[C@](CF)(C(F)(F)F)C1 ZINC001206337742 968243782 /nfs/dbraw/zinc/24/37/82/968243782.db2.gz WGRQKUHABZLQMR-SECBINFHSA-N 2 0 242.260 1.949 20 0 BDADRP [NH3+]C[C@H]1C[N@H+](CCCC2CCCCC2)C[C@H]1O ZINC001206457158 968319228 /nfs/dbraw/zinc/31/92/28/968319228.db2.gz QIWGBMPDQRCERX-UONOGXRCSA-N 2 0 240.391 1.598 20 0 BDADRP CC(C)=CCC[C@@H](C)C[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206457638 968319892 /nfs/dbraw/zinc/31/98/92/968319892.db2.gz SDQXYULQSIYACY-HZSPNIEDSA-N 2 0 240.391 1.620 20 0 BDADRP [NH3+]C[C@H]1C[N@H+](CCCC2CCCC2)C[C@@H]1O ZINC001206512431 968346278 /nfs/dbraw/zinc/34/62/78/968346278.db2.gz OWMMUSMVOXFBCU-STQMWFEESA-N 2 0 226.364 1.208 20 0 BDADRP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ccc(=O)[nH]c2)C1 ZINC001206548154 968373632 /nfs/dbraw/zinc/37/36/32/968373632.db2.gz HQJBUOPRQMULEN-AWEZNQCLSA-N 2 0 249.358 1.738 20 0 BDADRP C[C@@]1(C[NH3+])CCCCN(Cc2c[nH+]ccc2N)C1 ZINC001206550123 968377628 /nfs/dbraw/zinc/37/76/28/968377628.db2.gz VSFCJJWHWFVQMD-AWEZNQCLSA-N 2 0 248.374 1.445 20 0 BDADRP C[C@]1(C[NH3+])CCCC[N@H+](Cc2ccc(N)nc2)C1 ZINC001206563301 968386517 /nfs/dbraw/zinc/38/65/17/968386517.db2.gz BPKSRVUAQWXXFC-CQSZACIVSA-N 2 0 248.374 1.615 20 0 BDADRP Cc1cc2[nH]ccc2c(N2CCO[C@@H](C[NH3+])C2)[nH+]1 ZINC001166940467 968397286 /nfs/dbraw/zinc/39/72/86/968397286.db2.gz HYLXXJKNKCDDNL-JTQLQIEISA-N 2 0 246.314 1.035 20 0 BDADRP [NH3+]C[C@@H]1CCCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC001206606364 968399835 /nfs/dbraw/zinc/39/98/35/968399835.db2.gz LUHZGRSDUTYJQE-ZDUSSCGKSA-N 3 0 225.380 1.047 20 0 BDADRP CNc1ncccc1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206617062 968419875 /nfs/dbraw/zinc/41/98/75/968419875.db2.gz ZRPIHLIOQHRFDV-LBPRGKRZSA-N 2 0 248.374 1.684 20 0 BDADRP C[C@@H]([NH3+])CN1C[C@@H](C[NH3+])Cc2cc(F)ccc21 ZINC001119606744 968429998 /nfs/dbraw/zinc/42/99/98/968429998.db2.gz SBWSWAYOFPHRLL-NXEZZACHSA-N 2 0 237.322 1.110 20 0 BDADRP C[N@@H+]1CCC[C@H](OCC[NH+]2CCCCC2)C1 ZINC001206700915 968437238 /nfs/dbraw/zinc/43/72/38/968437238.db2.gz JZBQVTINXISXMF-ZDUSSCGKSA-N 2 0 226.364 1.583 20 0 BDADRP CC1(C)C[N@H+](CCCC[NH3+])[C@@](C)(CO)C1 ZINC001206745263 968452274 /nfs/dbraw/zinc/45/22/74/968452274.db2.gz RWCBBLOZTAMVFG-GFCCVEGCSA-N 2 0 214.353 1.208 20 0 BDADRP Cc1ccnc(C[NH+]2CC3(C2)CC[NH+](C)CC3)c1 ZINC001206854361 968502437 /nfs/dbraw/zinc/50/24/37/968502437.db2.gz XFTPLKPUHWRLFN-UHFFFAOYSA-N 2 0 245.370 1.918 20 0 BDADRP CCc1cc(NC/C=C/C[NH3+])nc(C)n1 ZINC000164552213 968521986 /nfs/dbraw/zinc/52/19/86/968521986.db2.gz INWLEUQYTKFGMG-SNAWJCMRSA-N 2 0 206.293 1.274 20 0 BDADRP CC[NH+]1C[C@H]2C[NH+](Cc3ccc[nH]c3=O)C[C@@H]2C1 ZINC001207012808 968551130 /nfs/dbraw/zinc/55/11/30/968551130.db2.gz ZAAVISJAPDTUAN-STQMWFEESA-N 2 0 247.342 1.171 20 0 BDADRP C/C(=C\C=C\N)[NH2+]CC(C)(C)C[NH+](C)C ZINC001168768322 968570273 /nfs/dbraw/zinc/57/02/73/968570273.db2.gz TWXIJBQBKJRNQA-JMFBPXTISA-N 2 0 211.353 1.540 20 0 BDADRP CCCC[C@@H](O)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC001252111238 968594670 /nfs/dbraw/zinc/59/46/70/968594670.db2.gz QSWQSZVPKAPVTQ-JXQTWKCFSA-N 2 0 242.407 2.000 20 0 BDADRP CC(C)[NH+]1CCC(C[NH2+]CC(C)(C)O)CC1 ZINC001252365249 968642794 /nfs/dbraw/zinc/64/27/94/968642794.db2.gz NKOLRCWQSDHQIP-UHFFFAOYSA-N 2 0 228.380 1.467 20 0 BDADRP CC[N@H+]1C[C@@H]2C[NH+](Cc3cc[nH]c(=O)c3)C[C@@H]2C1 ZINC001207125755 968642870 /nfs/dbraw/zinc/64/28/70/968642870.db2.gz LQGWGHSSNUZISE-BETUJISGSA-N 2 0 247.342 1.171 20 0 BDADRP C[NH+](C)CC(C)(C)C[N@@H+]1CC[C@H]2OCC[C@H]21 ZINC001207280659 968712368 /nfs/dbraw/zinc/71/23/68/968712368.db2.gz XULMKMULURZZOE-VXGBXAGGSA-N 2 0 226.364 1.437 20 0 BDADRP C[NH+](C)CC(C)(C)C[NH+]1CC2CC(C2)C1 ZINC001207288229 968720211 /nfs/dbraw/zinc/72/02/11/968720211.db2.gz KJQDERORRJPQED-UHFFFAOYSA-N 2 0 210.365 1.916 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCCC[C@](C)(O)C2)CC1 ZINC001207391283 968747255 /nfs/dbraw/zinc/74/72/55/968747255.db2.gz BCOAARCLIKEZNB-AWEZNQCLSA-N 2 0 240.391 1.565 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)CC1 ZINC001207398628 968750977 /nfs/dbraw/zinc/75/09/77/968750977.db2.gz DSNGTPNNVNBPPN-AVGNSLFASA-N 2 0 226.339 1.761 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CC[C@@]23CCOC3)CC1 ZINC001207400293 968751810 /nfs/dbraw/zinc/75/18/10/968751810.db2.gz DFXQXGIGQQUQGJ-ZDUSSCGKSA-N 2 0 224.348 1.193 20 0 BDADRP C(C1CC[NH2+]CC1)[NH+]1CCC2(CCOC2)CC1 ZINC001207436357 968767707 /nfs/dbraw/zinc/76/77/07/968767707.db2.gz HNDRKBKVNONQGL-UHFFFAOYSA-N 2 0 238.375 1.489 20 0 BDADRP CN1CCC[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@@H]21 ZINC001207470377 968789710 /nfs/dbraw/zinc/78/97/10/968789710.db2.gz QSVWENUIHJXAFM-MJBXVCDLSA-N 2 0 238.375 1.439 20 0 BDADRP CC[N@H+]1C[C@@H]2C[NH+](C[C@@H]3CCCOC3)C[C@@H]2C1 ZINC001207468865 968790639 /nfs/dbraw/zinc/79/06/39/968790639.db2.gz JFWCIYGSHXDJPT-MELADBBJSA-N 2 0 238.375 1.297 20 0 BDADRP C[NH+]1CCC(CC[N@@H+]2C[C@@H](F)C[C@H]2CO)CC1 ZINC001207479412 968794495 /nfs/dbraw/zinc/79/44/95/968794495.db2.gz IILJHAAICOZAMP-STQMWFEESA-N 2 0 244.354 1.123 20 0 BDADRP COCC(C)(C)C[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001207691632 968861772 /nfs/dbraw/zinc/86/17/72/968861772.db2.gz OZDMUXISSZJRQQ-OCCSQVGLSA-N 2 0 240.391 1.543 20 0 BDADRP CCC[NH+]1C[C@@H]2C[NH+](CC3(C)COC3)C[C@H]2C1 ZINC001207800393 968890350 /nfs/dbraw/zinc/89/03/50/968890350.db2.gz QDLHEMPTTCKWOU-CHWSQXEVSA-N 2 0 238.375 1.297 20 0 BDADRP C[C@H]1[NH2+]CC[C@H]1Nc1cc2[nH]ccc2c[nH+]1 ZINC001155187477 968923038 /nfs/dbraw/zinc/92/30/38/968923038.db2.gz GJQRFWKGXVVFDQ-PSASIEDQSA-N 2 0 216.288 1.725 20 0 BDADRP C[NH+](C)CCC[N@H+](C)CC1(C)CC[NH+](C)CC1 ZINC001208099769 968996296 /nfs/dbraw/zinc/99/62/96/968996296.db2.gz ABFCLLHDHXKPFV-UHFFFAOYSA-N 3 0 241.423 1.602 20 0 BDADRP COC(C[N@H+](C)CC1(C)CC[NH+](C)CC1)OC ZINC001208108272 969000144 /nfs/dbraw/zinc/00/01/44/969000144.db2.gz CNSYBHCIMADELE-UHFFFAOYSA-N 2 0 244.379 1.269 20 0 BDADRP C[NH+]1CCC(C)(C[N@@H+]2CCCOCC2)CC1 ZINC001208102958 969001703 /nfs/dbraw/zinc/00/17/03/969001703.db2.gz IGPMCTGLAAMEDZ-UHFFFAOYSA-N 2 0 226.364 1.441 20 0 BDADRP C[N@H+](CC1COC1)CC1(C)CC[NH+](C)CC1 ZINC001208114086 969005510 /nfs/dbraw/zinc/00/55/10/969005510.db2.gz RBTJIGAGAYPGPM-UHFFFAOYSA-N 2 0 226.364 1.297 20 0 BDADRP CC(=O)[C@H]1CC[N@@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208112255 969009969 /nfs/dbraw/zinc/00/99/69/969009969.db2.gz UKJPFUZVWSAJOD-ZDUSSCGKSA-N 2 0 238.375 1.629 20 0 BDADRP [NH3+]CCc1cccc(-c2cnn(C3C[NH2+]C3)c2)c1 ZINC001241612038 969073713 /nfs/dbraw/zinc/07/37/13/969073713.db2.gz LIJDANUAQYIBOQ-UHFFFAOYSA-N 2 0 242.326 1.196 20 0 BDADRP CC[NH+](CC)C[C@@H](O)C[NH2+][C@H]1[C@H](C)CC[C@@H]1C ZINC001253216354 969116712 /nfs/dbraw/zinc/11/67/12/969116712.db2.gz MBOSKXVZGBRBGX-RFQIPJPRSA-N 2 0 242.407 1.713 20 0 BDADRP C[NH+](C)CC1(C[N@@H+]2CC[C@H](CO)C2)CCCC1 ZINC001208191198 969121784 /nfs/dbraw/zinc/12/17/84/969121784.db2.gz LAMFGZJIHPVUOQ-ZDUSSCGKSA-N 2 0 240.391 1.423 20 0 BDADRP CC[NH+]1CCC(C[NH+]2CCC(O)CC2)CC1 ZINC001208593799 969150255 /nfs/dbraw/zinc/15/02/55/969150255.db2.gz JATUUPVWTQDWEC-UHFFFAOYSA-N 2 0 226.364 1.175 20 0 BDADRP CC[NH+]1CCC(C[N@H+](C)CCN(C)C)CC1 ZINC001208595174 969151988 /nfs/dbraw/zinc/15/19/88/969151988.db2.gz RDUUJCKOOJSCCB-UHFFFAOYSA-N 2 0 227.396 1.212 20 0 BDADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@H]1C[C@@H]1C1CC1 ZINC001253412431 969165850 /nfs/dbraw/zinc/16/58/50/969165850.db2.gz HYFCWKXFEPNMMH-TUAOUCFPSA-N 2 0 226.364 1.124 20 0 BDADRP C[C@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)C1CCC1 ZINC001253411691 969166724 /nfs/dbraw/zinc/16/67/24/969166724.db2.gz STTQJWXDQQHHRH-JQWIXIFHSA-N 2 0 228.380 1.514 20 0 BDADRP COC[C@H]1CC[N@@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208616142 969167770 /nfs/dbraw/zinc/16/77/70/969167770.db2.gz ZIYVHUSSLWWNIP-NWDGAFQWSA-N 2 0 212.337 1.049 20 0 BDADRP C[n+]1ccccc1-n1cnc2ccc(C[NH3+])cc21 ZINC001168838959 969232980 /nfs/dbraw/zinc/23/29/80/969232980.db2.gz RIQJKUDSQFJRKM-UHFFFAOYSA-N 2 0 239.302 1.309 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccc[nH]c2=O)CCC[C@@H]1C[NH3+] ZINC001205995844 969267666 /nfs/dbraw/zinc/26/76/66/969267666.db2.gz RBCYZLOXNIHVCX-NWDGAFQWSA-N 2 0 249.358 1.594 20 0 BDADRP C[C@@H]1C[N@@H+](C2C[C@H](C)O[C@@H](C)C2)C[C@H]1[NH3+] ZINC000723471704 969319887 /nfs/dbraw/zinc/31/98/87/969319887.db2.gz JHXHBCMGSPQUHV-FYLLDIAZSA-N 2 0 212.337 1.221 20 0 BDADRP CCC[N@H+](CCCOC)CCC[NH+](C)C ZINC001209054463 969339310 /nfs/dbraw/zinc/33/93/10/969339310.db2.gz BRPWGCXRAUAICZ-UHFFFAOYSA-N 2 0 216.369 1.687 20 0 BDADRP Cc1cnc(C[NH3+])n1-c1ccccc1C(C)(C)[NH3+] ZINC001169031142 969351227 /nfs/dbraw/zinc/35/12/27/969351227.db2.gz YBOLWFZDYZTYHM-UHFFFAOYSA-N 2 0 244.342 1.833 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+](C[C@@H](O)C(C)(C)C)CC2 ZINC001253730357 969353877 /nfs/dbraw/zinc/35/38/77/969353877.db2.gz SZCMOCPJLQDDFQ-GFCCVEGCSA-N 2 0 240.391 1.421 20 0 BDADRP C[C@@H](C[NH+](C)C)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169096155 969384286 /nfs/dbraw/zinc/38/42/86/969384286.db2.gz VAEVIKBARYCQOI-RVMXOQNASA-N 2 0 225.380 1.151 20 0 BDADRP CCC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)COC1 ZINC001169099469 969391511 /nfs/dbraw/zinc/39/15/11/969391511.db2.gz SPPZDVCQEQPRLV-XYYAHUGASA-N 2 0 238.375 1.628 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1C[C@@](C)(O)C1)C2 ZINC001169097891 969392045 /nfs/dbraw/zinc/39/20/45/969392045.db2.gz DWJUISPRVOENSN-WOPNUFJOSA-N 2 0 224.348 1.115 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H]1CC[C@@H](O)C1)C2 ZINC001169079795 969402664 /nfs/dbraw/zinc/40/26/64/969402664.db2.gz LPKAGGYWTNQOSU-PDWCTOEPSA-N 2 0 238.375 1.362 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCC[C@@H]1O)C2 ZINC001169090873 969410787 /nfs/dbraw/zinc/41/07/87/969410787.db2.gz MNNKQLLBQOYZIH-MLGHIDQZSA-N 2 0 224.348 1.115 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@H](CO)C1)C2 ZINC001169122758 969421784 /nfs/dbraw/zinc/42/17/84/969421784.db2.gz CYCMYMKBEYHOIX-FQUUOJAGSA-N 2 0 238.375 1.316 20 0 BDADRP CN(CCC[NH+](C)C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169122998 969421863 /nfs/dbraw/zinc/42/18/63/969421863.db2.gz GZESOQTZEBBQLC-BTTYYORXSA-N 2 0 239.407 1.495 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@](C)(CO)C1)C2 ZINC001169125414 969423699 /nfs/dbraw/zinc/42/36/99/969423699.db2.gz HZCMGCATGSANOX-ZOBORPQBSA-N 2 0 238.375 1.316 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(O)CC1)C2 ZINC001169125295 969424318 /nfs/dbraw/zinc/42/43/18/969424318.db2.gz YKXLTNPCQWBRSZ-ZSBIGDGJSA-N 2 0 224.348 1.068 20 0 BDADRP COC[C@H]1CC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169124923 969425532 /nfs/dbraw/zinc/42/55/32/969425532.db2.gz HDVTWVTYNWWWPY-FQUUOJAGSA-N 2 0 238.375 1.580 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H](O)CC1)C2 ZINC001169126332 969430760 /nfs/dbraw/zinc/43/07/60/969430760.db2.gz RWCSKXFQTIFRJO-DGAVXFQQSA-N 2 0 238.375 1.458 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@H](F)[C@H](O)C1)C2 ZINC001169126826 969430825 /nfs/dbraw/zinc/43/08/25/969430825.db2.gz XXWBAOSZXDVMSB-CKIKVBCHSA-N 2 0 242.338 1.016 20 0 BDADRP CC[C@@H](COC)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169109456 969446641 /nfs/dbraw/zinc/44/66/41/969446641.db2.gz IRKVWCZGBHLILB-ZDEQEGDKSA-N 2 0 226.364 1.626 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(CO)CCC1)C2 ZINC001169108063 969448131 /nfs/dbraw/zinc/44/81/31/969448131.db2.gz NTNIONUHYMWIKE-CNDDSTCGSA-N 2 0 224.348 1.116 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Nc1ccc(C[NH3+])nc1)C2 ZINC001169114814 969459015 /nfs/dbraw/zinc/45/90/15/969459015.db2.gz YXTDGQRBXYDJCL-BTTYYORXSA-N 2 0 246.358 1.577 20 0 BDADRP CN([C@@H]1CC[N@H+](C)C1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169142851 969460872 /nfs/dbraw/zinc/46/08/72/969460872.db2.gz WUWYPGFOVNOBBB-RQJABVFESA-N 2 0 237.391 1.248 20 0 BDADRP CC[NH+]1CCC(n2ccc(CC[NH3+])n2)CC1 ZINC001169224259 969492896 /nfs/dbraw/zinc/49/28/96/969492896.db2.gz HCXIESFBWRKZBR-UHFFFAOYSA-N 2 0 222.336 1.041 20 0 BDADRP CC[NH+]1CCC([NH2+]Cc2ccccc2C[NH3+])CC1 ZINC001169232920 969516479 /nfs/dbraw/zinc/51/64/79/969516479.db2.gz IJPSUCMXBVDRLI-UHFFFAOYSA-N 3 0 247.386 1.719 20 0 BDADRP C[NH+](C)C1CN(CCC[NH+]2CCCCC2)C1 ZINC001209448101 969518300 /nfs/dbraw/zinc/51/83/00/969518300.db2.gz MZAOCWJAXOKNED-UHFFFAOYSA-N 2 0 225.380 1.108 20 0 BDADRP CC[NH+]1CCC(n2ccc3c2CC[NH2+]C3)CC1 ZINC001169261523 969521801 /nfs/dbraw/zinc/52/18/01/969521801.db2.gz JBUSRLLKNHWCSR-UHFFFAOYSA-N 2 0 233.359 1.791 20 0 BDADRP C[C@@H]([NH3+])c1ccn(-c2cccc3c2CC[C@@H]3[NH3+])n1 ZINC001169235765 969525660 /nfs/dbraw/zinc/52/56/60/969525660.db2.gz ZMTXSCLWFTUIOV-SKDRFNHKSA-N 2 0 242.326 1.838 20 0 BDADRP C[NH+](C)CCC(C)(C)N[C@H]1CCC[N@H+](C)CC1 ZINC001254506717 969650804 /nfs/dbraw/zinc/65/08/04/969650804.db2.gz YIVGSMRSUUBWJI-ZDUSSCGKSA-N 2 0 241.423 1.791 20 0 BDADRP CCC[C@@H](CO)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001254504002 969650900 /nfs/dbraw/zinc/65/09/00/969650900.db2.gz QGJHOOUSAAIGOE-RYUDHWBXSA-N 2 0 214.353 1.221 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+]C2COC(C)(C)OC2)CC1 ZINC001254506412 969676391 /nfs/dbraw/zinc/67/63/91/969676391.db2.gz RTXMYQQKMRMXSR-NSHDSACASA-N 2 0 242.363 1.212 20 0 BDADRP COC(C)(C[NH2+][C@@H]1CCC[N@H+](C)CC1)OC ZINC001254509083 969678378 /nfs/dbraw/zinc/67/83/78/969678378.db2.gz VRSKHHHIOQILTI-LLVKDONJSA-N 2 0 230.352 1.069 20 0 BDADRP C[C@@H]1CC[C@@H](O)C[N@@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254517352 969694911 /nfs/dbraw/zinc/69/49/11/969694911.db2.gz URQINRJUQIHFIY-FRRDWIJNSA-N 2 0 226.364 1.316 20 0 BDADRP C[N@H+](CC1(C)COC1)[C@@H]1CCC[NH+](C)CC1 ZINC001254523550 969705155 /nfs/dbraw/zinc/70/51/55/969705155.db2.gz PAKJQFCNRKIYPV-GFCCVEGCSA-N 2 0 226.364 1.439 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH+]2CC3(C2)CCCOC3)CC1 ZINC001254521527 969706209 /nfs/dbraw/zinc/70/62/09/969706209.db2.gz VCJRFCPCVCYZNO-CYBMUJFWSA-N 2 0 238.375 1.583 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH+]2CC3(C2)CCCOC3)CC1 ZINC001254521530 969706861 /nfs/dbraw/zinc/70/68/61/969706861.db2.gz VCJRFCPCVCYZNO-ZDUSSCGKSA-N 2 0 238.375 1.583 20 0 BDADRP C[N@@H+]1CCC[C@H](N2C[C@@H]3C[C@@H]3[C@H](F)C2)CC1 ZINC001254521771 969707037 /nfs/dbraw/zinc/70/70/37/969707037.db2.gz XFQUDSXJVGXPMF-ZDEQEGDKSA-N 2 0 226.339 1.761 20 0 BDADRP CN(CC[NH+]1CCCC1)[C@H]1CCC[N@H+](C)CC1 ZINC001254525499 969718636 /nfs/dbraw/zinc/71/86/36/969718636.db2.gz JTUJXCPQTCOULG-AWEZNQCLSA-N 2 0 239.407 1.498 20 0 BDADRP Cc1[nH+]cc(Nc2c[nH+]c(N)cc2C)n1C ZINC001209966119 969731581 /nfs/dbraw/zinc/73/15/81/969731581.db2.gz ULAQVBXISXVRJS-UHFFFAOYSA-N 2 0 217.276 1.758 20 0 BDADRP Cc1c(N)cc[nH+]c1NCC[C@H]1CCC[NH2+]1 ZINC001169558631 969756487 /nfs/dbraw/zinc/75/64/87/969756487.db2.gz KQPJIHFPTLQLGQ-SNVBAGLBSA-N 2 0 220.320 1.526 20 0 BDADRP C[NH+](C)Cc1ccc(NCC[C@H]2CCC[NH2+]2)nc1 ZINC001169562727 969759493 /nfs/dbraw/zinc/75/94/93/969759493.db2.gz IPQCABLGIXFOPT-CYBMUJFWSA-N 2 0 248.374 1.697 20 0 BDADRP c1cc(NCC[C@H]2CCC[NH2+]2)cc2c1C[NH2+]C2 ZINC001169563875 969760844 /nfs/dbraw/zinc/76/08/44/969760844.db2.gz FGSLLYMXGWFQGA-CYBMUJFWSA-N 2 0 231.343 1.844 20 0 BDADRP c1cc2c([nH+]c1NCC[C@H]1CCC[NH2+]1)NCCO2 ZINC001169569013 969767987 /nfs/dbraw/zinc/76/79/87/969767987.db2.gz KKKJGYOLOYGLCF-SNVBAGLBSA-N 2 0 248.330 1.440 20 0 BDADRP Cc1nc(C)c(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)o1 ZINC000723633725 969791551 /nfs/dbraw/zinc/79/15/51/969791551.db2.gz LIETZYLDHBHDNX-LBPRGKRZSA-N 2 0 237.347 1.852 20 0 BDADRP N=c1cc(C[NH3+])ccn1[C@H]1CC2CC[NH+](CC2)C1 ZINC001254839256 969801175 /nfs/dbraw/zinc/80/11/75/969801175.db2.gz OMWDGPQWVZNBHC-ZDUSSCGKSA-N 2 0 246.358 1.083 20 0 BDADRP c1nn([C@@H]2CC3CC[NH+](CC3)C2)c2c1C[NH2+]CC2 ZINC001254855167 969807463 /nfs/dbraw/zinc/80/74/63/969807463.db2.gz LCQCVTNIARECRC-CYBMUJFWSA-N 2 0 246.358 1.186 20 0 BDADRP CC(C)[N@@H+]1CC[C@H]([NH2+]C2CCOCC2)[C@H](C)C1 ZINC001255038739 969860719 /nfs/dbraw/zinc/86/07/19/969860719.db2.gz QCLQWZJAPIZHLZ-OCCSQVGLSA-N 2 0 240.391 1.874 20 0 BDADRP c1cn2cc(C[NH2+]C3CCOCC3)ccc2n1 ZINC001255039022 969861262 /nfs/dbraw/zinc/86/12/62/969861262.db2.gz TVWJAQHLEPMORO-UHFFFAOYSA-N 2 0 231.299 1.603 20 0 BDADRP Cc1nc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)c[nH]1 ZINC001276682366 969867498 /nfs/dbraw/zinc/86/74/98/969867498.db2.gz KKUNSJOCRLIYMN-BETUJISGSA-N 2 0 248.374 1.492 20 0 BDADRP C[C@H]1CCN(Cc2cccc3c2CCN3)CC[NH2+]1 ZINC001210496542 969907588 /nfs/dbraw/zinc/90/75/88/969907588.db2.gz HYCZDEDWNKGORJ-LBPRGKRZSA-N 2 0 245.370 1.838 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]C1CCSCC1 ZINC001255088634 969925626 /nfs/dbraw/zinc/92/56/26/969925626.db2.gz WUIYVOHGJJWEEC-VHSXEESVSA-N 2 0 200.351 1.351 20 0 BDADRP CC(C)([NH3+])C(C)(C)[NH2+][C@@H]1CCSC1 ZINC001255273622 970024935 /nfs/dbraw/zinc/02/49/35/970024935.db2.gz AIUCDLNZBQRSTK-MRVPVSSYSA-N 2 0 202.367 1.597 20 0 BDADRP CCCC[C@H](C)[NH+]1CCN(CC[NH3+])CC1 ZINC001255313510 970080632 /nfs/dbraw/zinc/08/06/32/970080632.db2.gz MXMYCZCFKYYUQM-LBPRGKRZSA-N 2 0 213.369 1.141 20 0 BDADRP CCCC[C@H](C)[NH2+]CCC[N@H+](C)CCO ZINC001255318574 970088730 /nfs/dbraw/zinc/08/87/30/970088730.db2.gz AFHSGRNKXSKPIE-LBPRGKRZSA-N 2 0 216.369 1.469 20 0 BDADRP C[N@@H+]1CC[C@@H](n2cnc3cccc(C[NH3+])c32)C1 ZINC001255419421 970144048 /nfs/dbraw/zinc/14/40/48/970144048.db2.gz HJNBZBNPRCWBFQ-LLVKDONJSA-N 2 0 230.315 1.372 20 0 BDADRP CC(C)[N@@H+]1CCN([C@@H]2CC[NH+](C)C2)C[C@@H]1C ZINC001255443134 970176330 /nfs/dbraw/zinc/17/63/30/970176330.db2.gz KDUUHJFJSIRDMO-QWHCGFSZSA-N 2 0 225.380 1.105 20 0 BDADRP COC1CCC([N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CC1 ZINC001255463298 970190990 /nfs/dbraw/zinc/19/09/90/970190990.db2.gz LPWXJZWSJOXRJP-VTXSZYRJSA-N 2 0 238.375 1.437 20 0 BDADRP CCc1cc(Nc2c[nH+]cn2C)cc[nH+]1 ZINC001211247291 970194281 /nfs/dbraw/zinc/19/42/81/970194281.db2.gz SKJIUXVRJASFFE-UHFFFAOYSA-N 2 0 202.261 1.543 20 0 BDADRP C[N@@H+]1CCC[C@@H](n2ncc3c2cccc3C[NH3+])C1 ZINC001255472169 970202704 /nfs/dbraw/zinc/20/27/04/970202704.db2.gz PQTPXEPZYFCBNX-GFCCVEGCSA-N 2 0 244.342 1.762 20 0 BDADRP CN1CCC[C@@H]([NH+]2CCC(C[NH+](C)C)CC2)C1 ZINC001255485366 970233399 /nfs/dbraw/zinc/23/33/99/970233399.db2.gz BTTPUXADNOFFDO-CQSZACIVSA-N 2 0 239.407 1.354 20 0 BDADRP CC(C)[N@H+](C)[C@H]1CCN([C@@H]2CCC[NH+](C)C2)C1 ZINC001255493455 970249179 /nfs/dbraw/zinc/24/91/79/970249179.db2.gz YCUWBORMFFELLE-UONOGXRCSA-N 2 0 239.407 1.495 20 0 BDADRP C[NH+]1CC2(C1)CCN([C@@H]1CCC[N@H+](C)C1)CC2 ZINC001255492920 970251722 /nfs/dbraw/zinc/25/17/22/970251722.db2.gz NXHKGQWIIBMOAK-CYBMUJFWSA-N 2 0 237.391 1.108 20 0 BDADRP CC1(Nc2ccc3c(n2)CC[NH2+]C3)CC[NH2+]CC1 ZINC001157397666 970251842 /nfs/dbraw/zinc/25/18/42/970251842.db2.gz VWLUKLLIBIVQAM-UHFFFAOYSA-N 2 0 246.358 1.281 20 0 BDADRP Fc1cnc(C2=CC[NH2+]C2)nc1C1CC[NH2+]CC1 ZINC001243109669 970344115 /nfs/dbraw/zinc/34/41/15/970344115.db2.gz DIISKBCNZPXFBB-UHFFFAOYSA-N 2 0 248.305 1.069 20 0 BDADRP C[C@@H]1CC[C@H]([NH+]2CCN(CCCC[NH3+])CC2)C1 ZINC001170121124 970359025 /nfs/dbraw/zinc/35/90/25/970359025.db2.gz LKEOXRQDELBLKK-KGLIPLIRSA-N 2 0 239.407 1.532 20 0 BDADRP COC[C@@H](C)[N@H+](C)CC1CC[NH+](C)CC1 ZINC001255576470 970375947 /nfs/dbraw/zinc/37/59/47/970375947.db2.gz YVXUJZIDMXKPOO-LLVKDONJSA-N 2 0 214.353 1.295 20 0 BDADRP C[C@H]1CC[C@@H]([N@H+](C)CCN2CC[NH+](C)CC2)C1 ZINC001170151703 970460383 /nfs/dbraw/zinc/46/03/83/970460383.db2.gz RQWIVSVMXOAUJZ-UONOGXRCSA-N 2 0 239.407 1.354 20 0 BDADRP Cc1ccc(C[C@@H](C)[NH2+]CCOCC[NH3+])cc1 ZINC001255774589 970479497 /nfs/dbraw/zinc/47/94/97/970479497.db2.gz IVYPKJTVARUHAW-CYBMUJFWSA-N 2 0 236.359 1.491 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)n1cnc(CC[NH3+])n1 ZINC001255943455 970563248 /nfs/dbraw/zinc/56/32/48/970563248.db2.gz NHHRLYYQCWRTJN-LLVKDONJSA-N 2 0 239.367 1.072 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+][C@]1(C)CCOC1 ZINC001255950624 970565703 /nfs/dbraw/zinc/56/57/03/970565703.db2.gz BPPXRTUQFCFPJP-QWHCGFSZSA-N 2 0 228.380 1.875 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]CC1COC1 ZINC001255941511 970569883 /nfs/dbraw/zinc/56/98/83/970569883.db2.gz SGFIIPIVOUTQQE-NSHDSACASA-N 2 0 214.353 1.343 20 0 BDADRP CC[NH+](CC)CC[C@H](C)NCC[NH+]1CCCC1 ZINC001255939264 970573527 /nfs/dbraw/zinc/57/35/27/970573527.db2.gz DQHZKSMHGBZQFL-AWEZNQCLSA-N 2 0 241.423 1.792 20 0 BDADRP Cc1ncsc1C[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000400330588 970576682 /nfs/dbraw/zinc/57/66/82/970576682.db2.gz DMUNBTPOKHNOOH-VIFPVBQESA-N 2 0 239.388 1.929 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCCSC1)C1CC[NH2+]CC1 ZINC000400331066 970579343 /nfs/dbraw/zinc/57/93/43/970579343.db2.gz FYPMLXVEEKODKT-PWSUYJOCSA-N 2 0 228.405 1.860 20 0 BDADRP CSCC[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400634346 970600019 /nfs/dbraw/zinc/60/00/19/970600019.db2.gz MKOBGKNOAKEIGD-HBNTYKKESA-N 2 0 216.394 1.858 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@@H](O)C[C@H]1C ZINC001255963139 970603240 /nfs/dbraw/zinc/60/32/40/970603240.db2.gz CYWHUIOAVODXEB-BFHYXJOUSA-N 2 0 242.407 1.952 20 0 BDADRP Cc1ccc(C[NH2+]CCC(C)(C)[NH3+])nc1 ZINC000400841961 970639369 /nfs/dbraw/zinc/63/93/69/970639369.db2.gz XOWWKSJKPQMVPI-UHFFFAOYSA-N 2 0 207.321 1.607 20 0 BDADRP C[C@H]([NH3+])c1ccc(NCC2C[NH+](C)C2)cn1 ZINC001170257861 970639908 /nfs/dbraw/zinc/63/99/08/970639908.db2.gz BPSQWHOVIBDEGP-VIFPVBQESA-N 2 0 220.320 1.075 20 0 BDADRP C1CC1[NH+]1CCC(N2CC[NH+]3CCC2CC3)CC1 ZINC001256080947 970647087 /nfs/dbraw/zinc/64/70/87/970647087.db2.gz IXYTTZCQMXXRLJ-UHFFFAOYSA-N 2 0 249.402 1.393 20 0 BDADRP CC[C@H](C)C[C@H]([NH3+])C(=O)NC1CCC([NH3+])CC1 ZINC000400986570 970654010 /nfs/dbraw/zinc/65/40/10/970654010.db2.gz UPBDZZKTECLAOT-XKGSQUFQSA-N 2 0 241.379 1.136 20 0 BDADRP OCCCCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400974589 970654146 /nfs/dbraw/zinc/65/41/46/970654146.db2.gz RDXYYLCFUFLQTL-BFHYXJOUSA-N 2 0 240.391 1.517 20 0 BDADRP C[C@@H]([NH3+])c1nccn1C1CC[NH+](C)CC1 ZINC001256195110 970691707 /nfs/dbraw/zinc/69/17/07/970691707.db2.gz ZPDKWRHLLTZVDL-SECBINFHSA-N 2 0 208.309 1.170 20 0 BDADRP C[NH+]1CCC(n2cccc2CC[NH3+])CC1 ZINC001256200098 970693097 /nfs/dbraw/zinc/69/30/97/970693097.db2.gz NUGBPRPSTFGFTG-UHFFFAOYSA-N 2 0 207.321 1.256 20 0 BDADRP CC(C)C[NH+]1CCN(C2CC[NH+](C)CC2)CC1 ZINC001256203323 970706491 /nfs/dbraw/zinc/70/64/91/970706491.db2.gz FWLBLVFDLCUYTL-UHFFFAOYSA-N 2 0 239.407 1.354 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000401903151 970744724 /nfs/dbraw/zinc/74/47/24/970744724.db2.gz GGAYTNXSAWBLQV-VWYCJHECSA-N 2 0 200.326 1.094 20 0 BDADRP C[C@H]1[C@@H]([NH3+])CCCN1c1ccc2c(n1)CC[NH2+]C2 ZINC001157731299 970749879 /nfs/dbraw/zinc/74/98/79/970749879.db2.gz BCHVUPTVBWOXGB-JQWIXIFHSA-N 2 0 246.358 1.043 20 0 BDADRP CC(C)[C@H]1C[C@@H](N2C[C@H](C)[C@H](C[NH3+])C2)CC[NH2+]1 ZINC001246542558 972582383 /nfs/dbraw/zinc/58/23/83/972582383.db2.gz QKRPSKKHOHWWTG-RFQIPJPRSA-N 2 0 239.407 1.290 20 0 BDADRP CCC[C@H](C)[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246545280 972629746 /nfs/dbraw/zinc/62/97/46/972629746.db2.gz VSBLVIOPFPMDQG-RYUDHWBXSA-N 2 0 214.353 1.351 20 0 BDADRP C[C@@H]1CC[C@@H](N2CCCC[C@](C)(O)C2)C[NH2+]1 ZINC001246545690 972653167 /nfs/dbraw/zinc/65/31/67/972653167.db2.gz CILHGTSPYLHCDM-UPJWGTAASA-N 2 0 226.364 1.364 20 0 BDADRP CC(C)[NH+]1CCC(N2CCC[C@@H]([NH3+])CC2)CC1 ZINC001246547488 972675472 /nfs/dbraw/zinc/67/54/72/972675472.db2.gz PXWNRCHZHOXLBD-CYBMUJFWSA-N 2 0 239.407 1.672 20 0 BDADRP [NH3+][C@H]1CCC[N@@H+]([C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001246550969 972723035 /nfs/dbraw/zinc/72/30/35/972723035.db2.gz ZNIUGIKXECLFAR-QNWHQSFQSA-N 2 0 236.359 1.557 20 0 BDADRP CC[C@@H]1C[C@@H](N2CC[NH2+]CC[C@H]2C)CC[NH2+]1 ZINC001246553599 972752135 /nfs/dbraw/zinc/75/21/35/972752135.db2.gz TUUPVXBAIJDCNX-UPJWGTAASA-N 2 0 225.380 1.201 20 0 BDADRP C[NH2+][C@H](C)CCN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC001327839656 972754131 /nfs/dbraw/zinc/75/41/31/972754131.db2.gz JTQAFEYKFFTJQG-UTUOFQBUSA-N 2 0 213.369 1.105 20 0 BDADRP C[C@H]1CCCC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246560698 972793295 /nfs/dbraw/zinc/79/32/95/972793295.db2.gz RZRRTFRAWILJKS-STQMWFEESA-N 2 0 237.391 1.202 20 0 BDADRP C[C@@H]1CCN([C@@H]2CC[NH2+]C3(CCC3)C2)C[C@@H]1[NH3+] ZINC001246561969 972796719 /nfs/dbraw/zinc/79/67/19/972796719.db2.gz HKKDIYKSMVBGNA-UPJWGTAASA-N 2 0 237.391 1.330 20 0 BDADRP Cc1cc2[nH+]ccn2cc1NCC(C)(C)[NH3+] ZINC001171193434 972845114 /nfs/dbraw/zinc/84/51/14/972845114.db2.gz XXFZWPOTQNWISJ-UHFFFAOYSA-N 2 0 218.304 1.792 20 0 BDADRP CCC(=O)Nc1cc(NCC(C)(C)[NH3+])cc[nH+]1 ZINC001171193945 972852906 /nfs/dbraw/zinc/85/29/06/972852906.db2.gz IMACDDYENXBFOU-UHFFFAOYSA-N 2 0 236.319 1.579 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@@H+]([C@H]2CCCOC2)CC1 ZINC001246577903 972895433 /nfs/dbraw/zinc/89/54/33/972895433.db2.gz QRLGLQOWLTVIHR-QWHCGFSZSA-N 2 0 226.364 1.616 20 0 BDADRP CC(C)[C@H]1C[C@H](N2[C@H](C)C[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC001246585624 972961235 /nfs/dbraw/zinc/96/12/35/972961235.db2.gz HGMDBBVNCINAQT-XJFOESAGSA-N 2 0 239.407 1.445 20 0 BDADRP [NH3+]C[C@H]1CCCCN([C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246592583 973000059 /nfs/dbraw/zinc/00/00/59/973000059.db2.gz KOEIVQJJRLZAJY-MQYQWHSLSA-N 2 0 237.391 1.330 20 0 BDADRP CC[C@@H]1CC(N2CC(C[NH2+]C)C2)C[C@@H](CC)[NH2+]1 ZINC001246594871 973005865 /nfs/dbraw/zinc/00/58/65/973005865.db2.gz FMBBIEIERLNMNG-CHWSQXEVSA-N 2 0 239.407 1.447 20 0 BDADRP C1C[C@]2(C[NH2+]1)CCCN([C@H]1CCCC[NH2+]C1)C2 ZINC001246627330 973043714 /nfs/dbraw/zinc/04/37/14/973043714.db2.gz JEKBRUZFOJHOTK-KBPBESRZSA-N 2 0 237.391 1.204 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCC3(C2)CC[NH2+]CC3)CC[NH2+]1 ZINC001246635993 973046981 /nfs/dbraw/zinc/04/69/81/973046981.db2.gz BPTRJDPOXZJPNK-CHWSQXEVSA-N 3 0 237.391 1.202 20 0 BDADRP C[C@@H]1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)C[NH2+]1 ZINC001246769989 973088104 /nfs/dbraw/zinc/08/81/04/973088104.db2.gz MCQSAYOBCKQKOL-CSYMLDBXSA-N 2 0 212.312 1.559 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@]3(CCO3)C2)CC[NH2+]1 ZINC001246828668 973117468 /nfs/dbraw/zinc/11/74/68/973117468.db2.gz FMZWIVPRJVBWCH-UPJWGTAASA-N 2 0 224.348 1.382 20 0 BDADRP c1cn([C@@H]2CCC[NH2+]C2)c([C@@H]2CCC[NH2+]C2)n1 ZINC001246849760 973148038 /nfs/dbraw/zinc/14/80/38/973148038.db2.gz RWFILFDKAPTDKG-VXGBXAGGSA-N 2 0 234.347 1.275 20 0 BDADRP C[C@@H]1C[C@H]([NH+]2CCC(n3cnnc3)CC2)CC[NH2+]1 ZINC001246842220 973155526 /nfs/dbraw/zinc/15/55/26/973155526.db2.gz XMJCXDYBORXXSG-DGCLKSJQSA-N 2 0 249.362 1.056 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)CC1 ZINC001246854665 973170795 /nfs/dbraw/zinc/17/07/95/973170795.db2.gz QMDLOAKGZKHEMV-RYSNWHEDSA-N 3 0 237.391 1.282 20 0 BDADRP [NH3+][C@]12CC[C@@H]1C[N@@H+]([C@@H]1CCC3(C1)CC[NH2+]CC3)C2 ZINC001246860592 973178167 /nfs/dbraw/zinc/17/81/67/973178167.db2.gz NLBFDZWZWUHPHA-NFAWXSAZSA-N 3 0 249.402 1.332 20 0 BDADRP C[C@@H]1CC[C@@H](n2cncc2C2CC[NH2+]CC2)C[NH2+]1 ZINC001246862812 973182423 /nfs/dbraw/zinc/18/24/23/973182423.db2.gz DSWFWFUJKMAJBI-DGCLKSJQSA-N 2 0 248.374 1.663 20 0 BDADRP [NH3+][C@@]12CC[C@@H]1C[N@@H+](C1CCC(F)(F)CC1)C2 ZINC001246862861 973184119 /nfs/dbraw/zinc/18/41/19/973184119.db2.gz SAZOWGWQQWLPOH-MWLCHTKSSA-N 2 0 230.302 1.987 20 0 BDADRP Cn1ccc2c1cc[nH+]c2NC/C=C/C[NH3+] ZINC001160976813 973193889 /nfs/dbraw/zinc/19/38/89/973193889.db2.gz JIZYOLQAUOSVGI-NSCUHMNNSA-N 2 0 216.288 1.500 20 0 BDADRP CC[C@@H](C)C[NH2+]CCNC(=O)CC[N@H+](C)CC ZINC001146711421 973226656 /nfs/dbraw/zinc/22/66/56/973226656.db2.gz RSOKVGPVSWGMDF-GFCCVEGCSA-N 2 0 243.395 1.080 20 0 BDADRP CCCC(CCC)[N@H+]1C[C@@H](C(=O)OC)[C@H](N)C1 ZINC001246929999 973568555 /nfs/dbraw/zinc/56/85/55/973568555.db2.gz JGNVGFDZZJTLCW-VXGBXAGGSA-N 2 0 242.363 1.387 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2CCC[C@H]([NH3+])[C@H]2C)CC[NH2+]1 ZINC001246937913 973617139 /nfs/dbraw/zinc/61/71/39/973617139.db2.gz KDWXUXOAINHPQS-MQYQWHSLSA-N 2 0 239.407 1.575 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2CCC[C@@H]([NH3+])[C@H]2C)CC[NH2+]1 ZINC001246937915 973619431 /nfs/dbraw/zinc/61/94/31/973619431.db2.gz KDWXUXOAINHPQS-SYQHCUMBSA-N 2 0 239.407 1.575 20 0 BDADRP CC[NH+]1CCC(OCC2CC[NH+](C)CC2)CC1 ZINC001224449811 973653947 /nfs/dbraw/zinc/65/39/47/973653947.db2.gz JSYLIESZPQOACF-UHFFFAOYSA-N 2 0 240.391 1.829 20 0 BDADRP CC(C)C[N@H+](C[C@@H](C)N)CC1CC[NH+](C)CC1 ZINC001329376964 973721991 /nfs/dbraw/zinc/72/19/91/973721991.db2.gz WESCBBROUGUQCC-CYBMUJFWSA-N 2 0 241.423 1.633 20 0 BDADRP C1[NH2+]CC12CC[C@@H](N1CC[C@H]3[NH2+]CCC[C@@H]3C1)C2 ZINC001247014120 973793706 /nfs/dbraw/zinc/79/37/06/973793706.db2.gz IYBKLBGKKPHIBK-MGPQQGTHSA-N 2 0 249.402 1.202 20 0 BDADRP CC[C@@H](C(=O)NCC[C@H](C)[NH2+]C)[NH+](CC)CC ZINC001329564183 973830233 /nfs/dbraw/zinc/83/02/33/973830233.db2.gz ILXFDFMDUKSQFD-RYUDHWBXSA-N 2 0 243.395 1.221 20 0 BDADRP C[C@@H](CCCC[NH3+])NC(=O)[C@H](C)n1ccnc1 ZINC001329569692 973832483 /nfs/dbraw/zinc/83/24/83/973832483.db2.gz OOEMFPGILWCKDF-QWRGUYRKSA-N 2 0 238.335 1.078 20 0 BDADRP C[N@@H+]1CC[C@H](OC[C@@H]2CCCC[NH+]2C)C1 ZINC001224704451 973870642 /nfs/dbraw/zinc/87/06/42/973870642.db2.gz YXEVTHAJHSAGNP-RYUDHWBXSA-N 2 0 212.337 1.191 20 0 BDADRP [NH3+]Cc1cccc(NC[C@H]2CCCC[NH2+]2)n1 ZINC001171335685 973878482 /nfs/dbraw/zinc/87/84/82/973878482.db2.gz QTTJZMOMDOWZJM-LLVKDONJSA-N 2 0 220.320 1.094 20 0 BDADRP C[C@@H](C[NH+](C)C)OCCC[NH+]1CCCC1 ZINC001224744993 973904563 /nfs/dbraw/zinc/90/45/63/973904563.db2.gz SWTBOOQFNQSFBB-LBPRGKRZSA-N 2 0 214.353 1.439 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](OC[C@@H]2CCC[NH+]2C)C1 ZINC001224817288 973996629 /nfs/dbraw/zinc/99/66/29/973996629.db2.gz LSBICAJJQTZJBE-STQMWFEESA-N 2 0 226.364 1.580 20 0 BDADRP C[N@@H+]1CCC[C@H]1COC1CC[NH+](C)CC1 ZINC001224821047 974006087 /nfs/dbraw/zinc/00/60/87/974006087.db2.gz YVDWAHSWRIGNJE-NSHDSACASA-N 2 0 212.337 1.191 20 0 BDADRP C[C@H](C[NH+](C)C)OCCC[NH+]1CCCCC1 ZINC001224854759 974027025 /nfs/dbraw/zinc/02/70/25/974027025.db2.gz GUQNDXSUWOSFAK-CYBMUJFWSA-N 2 0 228.380 1.829 20 0 BDADRP CC[NH+](CC)CCOC1C[NH+](C(C)(C)C)C1 ZINC001224926766 974073956 /nfs/dbraw/zinc/07/39/56/974073956.db2.gz ACQUNQQUNDZOMF-UHFFFAOYSA-N 2 0 228.380 1.828 20 0 BDADRP C[NH+]1C(C)(C)CC(N2CC(C)([NH3+])C2)CC1(C)C ZINC001171630534 974108579 /nfs/dbraw/zinc/10/85/79/974108579.db2.gz QHEIHLRNGNEYCT-UHFFFAOYSA-N 2 0 239.407 1.671 20 0 BDADRP C[NH+]1C(C)(C)CC([NH2+]CC2(O)CC2)CC1(C)C ZINC001171614504 974115386 /nfs/dbraw/zinc/11/53/86/974115386.db2.gz ZKMSGPJIFYOFCN-UHFFFAOYSA-N 2 0 240.391 1.752 20 0 BDADRP C[NH+]1C(C)(C)CC([NH+]2CC(CO)C2)CC1(C)C ZINC001171636537 974137557 /nfs/dbraw/zinc/13/75/57/974137557.db2.gz HPEYMEJBBIAJOK-UHFFFAOYSA-N 2 0 240.391 1.562 20 0 BDADRP C[C@@H]1C[C@@H](N[C@@H]2C[C@H]2[NH3+])C[N@@H+]1Cc1ccccc1 ZINC001171732025 974142498 /nfs/dbraw/zinc/14/24/98/974142498.db2.gz GJOLVGBEXUVFTN-NMFUWQPSSA-N 2 0 245.370 1.339 20 0 BDADRP C[C@@H]1C[C@@H](NOCC[NH3+])C[N@@H+]1Cc1ccccc1 ZINC001171726601 974143440 /nfs/dbraw/zinc/14/34/40/974143440.db2.gz YOELVLBONYBIDD-TZMCWYRMSA-N 2 0 249.358 1.129 20 0 BDADRP N[C@@H]1CC[N@H+](CC2CCSCC2)CC[C@H]1F ZINC001206156884 974329610 /nfs/dbraw/zinc/32/96/10/974329610.db2.gz SZVRPGOXKPZJAV-VXGBXAGGSA-N 2 0 246.395 1.891 20 0 BDADRP N[C@@H]1CC[N@H+](CCCCCC[NH3+])CC[C@H]1F ZINC001206155617 974330978 /nfs/dbraw/zinc/33/09/78/974330978.db2.gz MSMVOEWECXMDKP-VXGBXAGGSA-N 3 0 231.359 1.267 20 0 BDADRP C[N@@H+]1CCC[C@H](CN2CC[C@H]([NH3+])[C@@H](F)CC2)C1 ZINC001206156406 974339988 /nfs/dbraw/zinc/33/99/88/974339988.db2.gz QOJBXOQDGKMBQV-AVGNSLFASA-N 2 0 243.370 1.089 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1C[C@@H]3C[C@H]1CO3)C2 ZINC001172124913 974353003 /nfs/dbraw/zinc/35/30/03/974353003.db2.gz MXKGLIPRPOZOCJ-NDKCEZKHSA-N 2 0 236.359 1.475 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1CC(O)C1)C2 ZINC001172108003 974363590 /nfs/dbraw/zinc/36/35/90/974363590.db2.gz NKLGYSNDRFPFJO-RUCXBIIGSA-N 2 0 238.375 1.362 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(F)COC1)C2 ZINC001172105124 974364729 /nfs/dbraw/zinc/36/47/29/974364729.db2.gz HBAHHNASOQUUKX-ZSBIGDGJSA-N 2 0 242.338 1.330 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@H]1CCOC1)C2 ZINC001172105420 974367670 /nfs/dbraw/zinc/36/76/70/974367670.db2.gz ICEJZIUWLYKGDN-YIYPIFLZSA-N 2 0 238.375 1.628 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCc1cnoc1)C2 ZINC001172112554 974371181 /nfs/dbraw/zinc/37/11/81/974371181.db2.gz XNYHFUGWZSOLTE-ZSOGYDGISA-N 2 0 249.358 1.822 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001172217640 974446463 /nfs/dbraw/zinc/44/64/63/974446463.db2.gz HMLHVGWCWVIPNN-FUDCBSFHSA-N 2 0 238.375 1.628 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH2+]C2C[C@@H]3C=C[C@H](C2)O3)C1 ZINC001172230896 974471710 /nfs/dbraw/zinc/47/17/10/974471710.db2.gz NFZHBTMWHHLFLA-RLAWYHOSSA-N 2 0 236.359 1.404 20 0 BDADRP Cc1cnc(CC[NH3+])n1C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172232779 974475432 /nfs/dbraw/zinc/47/54/32/974475432.db2.gz LJVFZGQGHSWARR-YOGCLGLASA-N 2 0 233.315 1.351 20 0 BDADRP CC1(C)C[C@@H]([NH2+]Cc2ccccc2C[NH3+])CO1 ZINC001172278401 974512047 /nfs/dbraw/zinc/51/20/47/974512047.db2.gz UVRJKRQWOIKLQH-CYBMUJFWSA-N 2 0 234.343 1.802 20 0 BDADRP COC(=O)[C@H](C[NH3+])C[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC001172357836 974626245 /nfs/dbraw/zinc/62/62/45/974626245.db2.gz DOPNOYRPESRANX-DDHJBXDOSA-N 2 0 242.363 1.149 20 0 BDADRP C[NH2+][C@@H](C)CC[NH2+]C1Cc2ccccc2C1 ZINC001331419305 974713919 /nfs/dbraw/zinc/71/39/19/974713919.db2.gz PWUGTINKQOINPR-NSHDSACASA-N 2 0 218.344 1.741 20 0 BDADRP CC(C)OCC[C@@H](C)[NH2+]CCC[NH+](C)C ZINC001172432525 974716618 /nfs/dbraw/zinc/71/66/18/974716618.db2.gz ZOXWEDNVYSPVRL-GFCCVEGCSA-N 2 0 216.369 1.731 20 0 BDADRP CC(C)OCC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C)C1 ZINC001172433630 974719303 /nfs/dbraw/zinc/71/93/03/974719303.db2.gz KDXSVALMNKOVIW-STQMWFEESA-N 2 0 228.380 1.731 20 0 BDADRP C[N@H+](C[C@H](O)C[NH3+])[C@H]1CCc2c1cccc2F ZINC001331513334 974746513 /nfs/dbraw/zinc/74/65/13/974746513.db2.gz CALXSQGCZSHMCV-RNCFNFMXSA-N 2 0 238.306 1.064 20 0 BDADRP CC(C)OCC[C@@H](C)[NH2+]CCC[N@H+](C)CCO ZINC001172444138 974805496 /nfs/dbraw/zinc/80/54/96/974805496.db2.gz IZSHLEXUWHZMKO-CYBMUJFWSA-N 2 0 246.395 1.094 20 0 BDADRP COC(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])C1 ZINC001172614890 974887222 /nfs/dbraw/zinc/88/72/22/974887222.db2.gz ZMWHDIGSBUNAKU-WISYIIOYSA-N 2 0 240.347 1.188 20 0 BDADRP [NH3+][C@H](C[NH2+][C@H]1CCCOCC1)CC(F)F ZINC001332010826 974916926 /nfs/dbraw/zinc/91/69/26/974916926.db2.gz DQMCIJINKMNWAP-IUCAKERBSA-N 2 0 222.279 1.128 20 0 BDADRP CC[N@H+](C)C[C@H](O)Cn1c(C)[nH+]c(C)c1C ZINC001332063497 974938353 /nfs/dbraw/zinc/93/83/53/974938353.db2.gz FYGPRYLBZKGWRD-LBPRGKRZSA-N 2 0 225.336 1.121 20 0 BDADRP COC(=O)[C@@H]1CCC[C@H]([NH2+]C2CC([NH3+])C2)CC1 ZINC001172778095 974940342 /nfs/dbraw/zinc/94/03/42/974940342.db2.gz STWWPJPVHXQLQY-ZYGVAYEYSA-N 2 0 240.347 1.188 20 0 BDADRP [NH3+]CCCCCC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC001332110253 974957599 /nfs/dbraw/zinc/95/75/99/974957599.db2.gz YMIQGDXLRSNUBK-VXGBXAGGSA-N 2 0 241.379 1.139 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH+]2CCC([NH+](C)C)CC2)C1 ZINC001172930519 974981601 /nfs/dbraw/zinc/98/16/01/974981601.db2.gz IZZRXACTKDSLNX-KGLIPLIRSA-N 2 0 240.391 1.970 20 0 BDADRP [NH3+]CC1CCC([NH2+]C2CCC([NH3+])CC2)CC1 ZINC001332358257 975068329 /nfs/dbraw/zinc/06/83/29/975068329.db2.gz GGTPNHFJUOADSH-UHFFFAOYSA-N 3 0 225.380 1.363 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCOC1 ZINC001332402196 975096251 /nfs/dbraw/zinc/09/62/51/975096251.db2.gz PWUNUHXFEVIAJW-VFPQWFPESA-N 2 0 224.348 1.128 20 0 BDADRP CC[N@@H+]1CCC[C@H](CN[C@@H]2CC[NH2+]C2(C)C)C1 ZINC001332422555 975110840 /nfs/dbraw/zinc/11/08/40/975110840.db2.gz XIKDEMKVQWDCFV-CHWSQXEVSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC001332814683 975287985 /nfs/dbraw/zinc/28/79/85/975287985.db2.gz BOLLBTCJMTZSLN-DGCLKSJQSA-N 2 0 226.364 1.472 20 0 BDADRP CC[N@@H+]1CC[C@@H](Nc2cccc(C[NH3+])c2)C1 ZINC001173350577 975296501 /nfs/dbraw/zinc/29/65/01/975296501.db2.gz QKQHLRFSGHOKIR-CYBMUJFWSA-N 2 0 219.332 1.651 20 0 BDADRP CCN1CC[C@H]([NH2+]CC23CC[NH+](CC2)CC3)C1 ZINC001173354982 975312547 /nfs/dbraw/zinc/31/25/47/975312547.db2.gz LPSSWWOKRDDLJX-ZDUSSCGKSA-N 2 0 237.391 1.156 20 0 BDADRP CC[N@@H+]1CC[C@@H](n2cccc2CC[NH3+])C1 ZINC001173357203 975314876 /nfs/dbraw/zinc/31/48/76/975314876.db2.gz IVDFTXIVBYYLDW-GFCCVEGCSA-N 2 0 207.321 1.256 20 0 BDADRP CC[N@@H+]1CC[C@@H](n2ccnc2CCC[NH3+])C1 ZINC001173358239 975323045 /nfs/dbraw/zinc/32/30/45/975323045.db2.gz YNAUKHHHLPWPGF-LLVKDONJSA-N 2 0 222.336 1.041 20 0 BDADRP CC[N@@H+]1CC[C@@H](N2CC[NH+]3CCCC[C@H]3C2)C1 ZINC001173362429 975337873 /nfs/dbraw/zinc/33/78/73/975337873.db2.gz HBQUPSOPLBNRDG-UONOGXRCSA-N 2 0 237.391 1.251 20 0 BDADRP CC[N@@H+]1CC[C@H](N2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC001173370265 975359895 /nfs/dbraw/zinc/35/98/95/975359895.db2.gz GIJJTKQLFZRANN-KBPBESRZSA-N 2 0 237.391 1.108 20 0 BDADRP Cc1cc(CN2CC[C@@H](F)[C@@H]([NH3+])CC2)sn1 ZINC001206201563 975385957 /nfs/dbraw/zinc/38/59/57/975385957.db2.gz XJDZYZHNRAICNY-MNOVXSKESA-N 2 0 243.351 1.713 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)C1 ZINC001334042672 976241631 /nfs/dbraw/zinc/24/16/31/976241631.db2.gz XSRPFWRZUWCNOS-UKIXVXPJSA-N 2 0 238.375 1.207 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CO[C@@H](C)[C@@H]2C)C1 ZINC001334356250 976465669 /nfs/dbraw/zinc/46/56/69/976465669.db2.gz VUJNVESIQYZUBZ-IGQOVBAYSA-N 2 0 240.391 1.731 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CO[C@@H](C)[C@H]2C)C1 ZINC001334356255 976467587 /nfs/dbraw/zinc/46/75/87/976467587.db2.gz VUJNVESIQYZUBZ-XJFOESAGSA-N 2 0 240.391 1.731 20 0 BDADRP C[NH2+][C@@H](C)CCN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC001334389913 976489441 /nfs/dbraw/zinc/48/94/41/976489441.db2.gz KDNGHAVREMRAMG-RNJOBUHISA-N 2 0 239.407 1.351 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+]C[C@H](O)C2CC2)CC1 ZINC001335398221 977029832 /nfs/dbraw/zinc/02/98/32/977029832.db2.gz MDQUSARCGHHALX-LBPRGKRZSA-N 2 0 226.364 1.079 20 0 BDADRP CSC[C@H](O)C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC001335433198 977057366 /nfs/dbraw/zinc/05/73/66/977057366.db2.gz RWNLROOTPBGSLK-NWDGAFQWSA-N 2 0 246.420 1.032 20 0 BDADRP CCC[N@@H+](CC(=O)OC)CC1CC[NH+](C)CC1 ZINC000691574177 977249191 /nfs/dbraw/zinc/24/91/91/977249191.db2.gz XVNQPLDUVNTDBY-UHFFFAOYSA-N 2 0 242.363 1.213 20 0 BDADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C[C@H](O)C1CC1 ZINC001335930576 977371880 /nfs/dbraw/zinc/37/18/80/977371880.db2.gz VEDGFGRYZUBFKH-OCCSQVGLSA-N 2 0 240.391 1.611 20 0 BDADRP CO[C@@H]1CC[C@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC001336261766 977602460 /nfs/dbraw/zinc/60/24/60/977602460.db2.gz IDJYLLOEGULIPM-RWMBFGLXSA-N 2 0 240.391 1.922 20 0 BDADRP OCC[N@@H+]1CCC[C@@H]2[C@H]1CCN2c1cc[nH+]cc1 ZINC001336423997 977675618 /nfs/dbraw/zinc/67/56/18/977675618.db2.gz QYXGTMKZXWTNRQ-ZIAGYGMSSA-N 2 0 247.342 1.117 20 0 BDADRP C[NH+](C)C1CN(Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232011960 977837923 /nfs/dbraw/zinc/83/79/23/977837923.db2.gz QQUZCSIDWZJMQI-UHFFFAOYSA-N 2 0 230.315 1.309 20 0 BDADRP C[C@@H](O)[C@H](C)[NH2+]Cc1ccccc1C[NH+](C)C ZINC001336702812 977866741 /nfs/dbraw/zinc/86/67/41/977866741.db2.gz FTJMDIVMPJGJSB-NWDGAFQWSA-N 2 0 236.359 1.607 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)c2ccccn2)C1 ZINC001336738977 977896331 /nfs/dbraw/zinc/89/63/31/977896331.db2.gz KGHIFOTVPHCSAQ-GXTWGEPZSA-N 2 0 249.358 1.046 20 0 BDADRP CCCC[NH2+]CCCNC(=O)C[N@H+](C)C(C)C ZINC001176975677 978266485 /nfs/dbraw/zinc/26/64/85/978266485.db2.gz SSIRFDGTPMCTLM-UHFFFAOYSA-N 2 0 243.395 1.223 20 0 BDADRP CCC1(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)COC1 ZINC001206292625 978289201 /nfs/dbraw/zinc/28/92/01/978289201.db2.gz CYPMDZLCNTXKMD-CYBMUJFWSA-N 2 0 240.391 1.864 20 0 BDADRP CCN1CC[C@@H]([N@H+](C)C2CCC([NH3+])CC2)C1 ZINC000328335198 978289575 /nfs/dbraw/zinc/28/95/75/978289575.db2.gz IWMBIRWEPXMZOF-WXRRBKDZSA-N 2 0 225.380 1.282 20 0 BDADRP Cc1ncc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)cn1 ZINC001206294031 978291239 /nfs/dbraw/zinc/29/12/39/978291239.db2.gz IOZKZHQUUHVMAR-CQSZACIVSA-N 2 0 248.374 1.736 20 0 BDADRP CC(C)[N@@H+]1CCC[C@@H](OCCC[NH+](C)C)C1 ZINC001206297207 978311857 /nfs/dbraw/zinc/31/18/57/978311857.db2.gz SDKWWILNAVYMDB-CYBMUJFWSA-N 2 0 228.380 1.828 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2ncc[nH]2)CC1 ZINC001206296711 978316870 /nfs/dbraw/zinc/31/68/70/978316870.db2.gz UHVYVRLYWXKQRC-GFCCVEGCSA-N 2 0 222.336 1.361 20 0 BDADRP C(CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C[NH+]1CCCC1 ZINC000328469060 978367478 /nfs/dbraw/zinc/36/74/78/978367478.db2.gz YSRGOYHMATWARP-BTFPBAQTSA-N 2 0 249.402 1.058 20 0 BDADRP c1cc(N2CCC[N@@H+]3CCC[C@H]3C2)cc[nH+]1 ZINC001337655039 978441984 /nfs/dbraw/zinc/44/19/84/978441984.db2.gz NQZHJQXJDSUTHA-ZDUSSCGKSA-N 2 0 217.316 1.756 20 0 BDADRP Cc1ncc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)o1 ZINC001206318605 978518507 /nfs/dbraw/zinc/51/85/07/978518507.db2.gz RWLRKAJUMXHHFJ-CYBMUJFWSA-N 2 0 237.347 1.934 20 0 BDADRP Cc1nc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)c[nH]1 ZINC001206318466 978519014 /nfs/dbraw/zinc/51/90/14/978519014.db2.gz PXRZDIAZDAQSKO-ZDUSSCGKSA-N 2 0 236.363 1.669 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C)C2)CCO1 ZINC000069863056 978765584 /nfs/dbraw/zinc/76/55/84/978765584.db2.gz RGZUYSPEHSGQBW-SDDRHHMPSA-N 2 0 212.337 1.095 20 0 BDADRP CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]([NH3+])C2)CCO1 ZINC000069894045 978788138 /nfs/dbraw/zinc/78/81/38/978788138.db2.gz BTCQMCWYWVDJKQ-SDDRHHMPSA-N 2 0 212.337 1.367 20 0 BDADRP C[C@]1(F)CCCC[N@H+](CCCC[NH3+])C1 ZINC001206405580 978794026 /nfs/dbraw/zinc/79/40/26/978794026.db2.gz QGFXPWADXCAMKY-NSHDSACASA-N 2 0 202.317 1.939 20 0 BDADRP C[NH+]1CCC(CCN2C[C@@H]([NH3+])C[C@H](F)C2)CC1 ZINC001206405123 978799453 /nfs/dbraw/zinc/79/94/53/978799453.db2.gz OSPPZQXKUZKIGC-STQMWFEESA-N 2 0 243.370 1.089 20 0 BDADRP OCCCCC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234994267 978946493 /nfs/dbraw/zinc/94/64/93/978946493.db2.gz RGDVBSOQXGOYMA-ZDUSSCGKSA-N 2 0 226.364 1.225 20 0 BDADRP Cc1c[nH+]ccc1N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001339998984 978952909 /nfs/dbraw/zinc/95/29/09/978952909.db2.gz LIJKREZLQKCEKQ-YRGRVCCFSA-N 2 0 231.343 1.564 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC001340062747 978963658 /nfs/dbraw/zinc/96/36/58/978963658.db2.gz HTJCZVUNIFXBAS-RFQIPJPRSA-N 2 0 240.391 1.637 20 0 BDADRP [NH3+][C@H](CN1CC[C@H]2[NH2+]CC[C@H]21)c1ccccc1 ZINC001235072680 978970451 /nfs/dbraw/zinc/97/04/51/978970451.db2.gz KNFFIGUZCFTONG-MGPQQGTHSA-N 2 0 231.343 1.123 20 0 BDADRP C[N@@H+]1CCC[C@]2(CCC[NH+](C3CC3)C2)C1 ZINC001277921915 978974781 /nfs/dbraw/zinc/97/47/81/978974781.db2.gz HSWYHXIWWUEMQY-ZDUSSCGKSA-N 2 0 208.349 1.957 20 0 BDADRP [NH3+]C12CC(CCN3CCCC[C@]34CC[NH2+]C4)(C1)C2 ZINC001235120483 978978416 /nfs/dbraw/zinc/97/84/16/978978416.db2.gz BUHUNTGNXKFUHY-YMAMQOFZSA-N 2 0 249.402 1.476 20 0 BDADRP [NH3+]CCCCCCN1CCCC[C@]12CC[NH2+]C2 ZINC001235122688 978979359 /nfs/dbraw/zinc/97/93/59/978979359.db2.gz HVAIZAPUWPWMTD-CQSZACIVSA-N 2 0 239.407 1.724 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235152817 978982201 /nfs/dbraw/zinc/98/22/01/978982201.db2.gz PLJJZROHFYBROG-AWEZNQCLSA-N 3 0 239.407 1.579 20 0 BDADRP [NH3+][C@@]12C[C@@H]1CCN(Cc1cccc3c[nH+]cn31)C2 ZINC001235172530 978990657 /nfs/dbraw/zinc/99/06/57/978990657.db2.gz HPLLICOQEDKCMW-SMDDNHRTSA-N 2 0 242.326 1.257 20 0 BDADRP CC[C@@H]([NH3+])CN1CCCCC12CC[NH2+]CC2 ZINC001235189796 978994163 /nfs/dbraw/zinc/99/41/63/978994163.db2.gz CAKWUXJXACKHDN-GFCCVEGCSA-N 2 0 225.380 1.332 20 0 BDADRP CC[NH2+]CCN1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235232046 979000216 /nfs/dbraw/zinc/00/02/16/979000216.db2.gz GQQCXBOPSPAZRX-CQSZACIVSA-N 2 0 239.407 1.450 20 0 BDADRP COCC[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235232408 979000977 /nfs/dbraw/zinc/00/09/77/979000977.db2.gz IESYSFFJBCANOJ-ZDUSSCGKSA-N 2 0 226.364 1.487 20 0 BDADRP CC[NH2+][C@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001277930222 979001865 /nfs/dbraw/zinc/00/18/65/979001865.db2.gz YFCPGYQZCRXJNT-VXGBXAGGSA-N 2 0 243.395 1.029 20 0 BDADRP [NH3+]CCCC[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235234249 979002211 /nfs/dbraw/zinc/00/22/11/979002211.db2.gz WXRHIZMNOKDQIE-AWEZNQCLSA-N 3 0 239.407 1.579 20 0 BDADRP c1cc(CN2CCC[C@H]3[NH2+]C[C@@H]32)cc2c1C[NH2+]C2 ZINC001235302622 979020974 /nfs/dbraw/zinc/02/09/74/979020974.db2.gz IGTYAJPNPGDDCF-CABCVRRESA-N 2 0 243.354 1.226 20 0 BDADRP C[N@H+](CCC[NH3+])Cc1ccc2c(c1)CC[NH2+]C2 ZINC001235435689 979046857 /nfs/dbraw/zinc/04/68/57/979046857.db2.gz UUUMQVUWQXTTAH-UHFFFAOYSA-N 3 0 233.359 1.113 20 0 BDADRP C[C@H]([NH3+])CN1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC001235675368 979113507 /nfs/dbraw/zinc/11/35/07/979113507.db2.gz WUFRJQFFYKZZHX-GXTWGEPZSA-N 2 0 233.359 1.322 20 0 BDADRP COC(=O)CC[N@H+](CCCC[NH3+])C1CCCC1 ZINC001235690029 979121039 /nfs/dbraw/zinc/12/10/39/979121039.db2.gz JFTYFZRERXZTDF-UHFFFAOYSA-N 2 0 242.363 1.533 20 0 BDADRP CC[NH2+]CCN1CC[NH2+]C[C@@H]1Cc1ccccc1 ZINC001235847238 979166700 /nfs/dbraw/zinc/16/67/00/979166700.db2.gz FQXULYXNKPIDDH-HNNXBMFYSA-N 2 0 247.386 1.112 20 0 BDADRP CC[C@H]([NH3+])CN1CC[NH2+]C[C@H]1Cc1ccccc1 ZINC001235847847 979170547 /nfs/dbraw/zinc/17/05/47/979170547.db2.gz MOKRKDHOJIRRMQ-LSDHHAIUSA-N 2 0 247.386 1.240 20 0 BDADRP c1ccc([C@H]2CN(C[C@@H]3CC[NH2+]C3)CC[NH2+]2)cc1 ZINC001235859833 979171671 /nfs/dbraw/zinc/17/16/71/979171671.db2.gz PNVGMRFWUQIVOO-UKRRQHHQSA-N 2 0 245.370 1.242 20 0 BDADRP [NH3+]CCN(CC[NH3+])Cc1cc(F)cc(Cl)c1 ZINC001235878301 979178044 /nfs/dbraw/zinc/17/80/44/979178044.db2.gz XNVPFZNQXLPKPQ-UHFFFAOYSA-N 2 0 245.729 1.199 20 0 BDADRP C[C@@H]1CC[C@@H]([NH3+])CN1Cc1cccc(N)c1 ZINC001235900900 979193823 /nfs/dbraw/zinc/19/38/23/979193823.db2.gz CPADVIWCKOYQJK-ZWNOBZJWSA-N 2 0 219.332 1.580 20 0 BDADRP C[C@H]1CC[C@H]([NH3+])CN1Cc1ccc(C[NH3+])cc1 ZINC001235907668 979202149 /nfs/dbraw/zinc/20/21/49/979202149.db2.gz SBJPKUFCMWJUJJ-FZMZJTMJSA-N 3 0 233.359 1.457 20 0 BDADRP C[C@H]([NH3+])CN1CC[C@H](c2cccc(F)c2)C1 ZINC001235935379 979215377 /nfs/dbraw/zinc/21/53/77/979215377.db2.gz ULZLDCYDMJTQGG-JQWIXIFHSA-N 2 0 222.307 1.962 20 0 BDADRP [NH3+][C@@]12CC[C@@H]1C[N@H+](CC1Cc3ccccc3C1)C2 ZINC001235976997 979237904 /nfs/dbraw/zinc/23/79/04/979237904.db2.gz DTBYRWSXZQNMCH-HZPDHXFCSA-N 2 0 242.366 1.825 20 0 BDADRP CCOC(C)(C)C[N@@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235976981 979245260 /nfs/dbraw/zinc/24/52/60/979245260.db2.gz DRDNKYHLRAQCBC-PWSUYJOCSA-N 2 0 212.337 1.225 20 0 BDADRP [NH3+][C@H](CN1C[C@H]2CC[C@@]2([NH3+])C1)c1ccccc1 ZINC001235980826 979260005 /nfs/dbraw/zinc/26/00/05/979260005.db2.gz RRMLBLOPGIXLSZ-MGPQQGTHSA-N 2 0 231.343 1.110 20 0 BDADRP [NH3+]CCCC[NH+]1CCC2(C[C@H](F)CO2)CC1 ZINC001236015606 979303058 /nfs/dbraw/zinc/30/30/58/979303058.db2.gz MWJKTCQJBZMWRU-NSHDSACASA-N 2 0 230.327 1.318 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CN(C[C@H]([NH3+])Cc2ccccc2)C1 ZINC001236044870 979338798 /nfs/dbraw/zinc/33/87/98/979338798.db2.gz ORHFOKNDDQNEMR-BPLDGKMQSA-N 2 0 247.386 1.226 20 0 BDADRP CCCCC[N@H+](C)CCC(=O)NCC[NH+](C)C ZINC001181863935 979344066 /nfs/dbraw/zinc/34/40/66/979344066.db2.gz SMEFHGKPWJPZTR-UHFFFAOYSA-N 2 0 243.395 1.176 20 0 BDADRP C[C@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CCCN1 ZINC001236097076 979385932 /nfs/dbraw/zinc/38/59/32/979385932.db2.gz HJIGUHWSPFAUCE-QWHCGFSZSA-N 2 0 225.380 1.060 20 0 BDADRP CC[C@H]([NH3+])CN1CC[NH2+]C[C@H]1c1cccs1 ZINC001236114551 979393703 /nfs/dbraw/zinc/39/37/03/979393703.db2.gz NBUXAYHVHVYQRA-QWRGUYRKSA-N 2 0 239.388 1.432 20 0 BDADRP CN(CC[C@H]1CCC[NH2+]C1)C[C@@H]1CCC[NH2+]1 ZINC001236117015 979395617 /nfs/dbraw/zinc/39/56/17/979395617.db2.gz WCMYLCCXDNGOTN-OLZOCXBDSA-N 2 0 225.380 1.060 20 0 BDADRP CCCC[C@@H]1CN(C[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC001236135624 979402053 /nfs/dbraw/zinc/40/20/53/979402053.db2.gz PKOYKGMWLLUWMH-CHWSQXEVSA-N 2 0 225.380 1.060 20 0 BDADRP CCN(CC[NH2+]C)C[C@H]([NH3+])Cc1ccccc1 ZINC001236143088 979409269 /nfs/dbraw/zinc/40/92/69/979409269.db2.gz HHDIDJNIKCPHLR-CQSZACIVSA-N 2 0 235.375 1.098 20 0 BDADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC001341459089 979414140 /nfs/dbraw/zinc/41/41/40/979414140.db2.gz WPEXPODZOZEVJK-FIQHERPVSA-N 2 0 241.379 1.007 20 0 BDADRP C[NH2+]CCCC(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC001341485154 979430099 /nfs/dbraw/zinc/43/00/99/979430099.db2.gz VIJPLPKVFJQZDY-UHFFFAOYSA-N 2 0 249.358 1.819 20 0 BDADRP CCC[C@H]1CN(CC[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001236176747 979434989 /nfs/dbraw/zinc/43/49/89/979434989.db2.gz BJNHHOGJUSMPJC-KGLIPLIRSA-N 2 0 239.407 1.450 20 0 BDADRP CC[N@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+]C(C)C ZINC001277979881 979443134 /nfs/dbraw/zinc/44/31/34/979443134.db2.gz RRTFKHHFOVNEJW-LBPRGKRZSA-N 2 0 243.395 1.173 20 0 BDADRP [NH3+]CCCCCCN(C1CC1)[C@H]1CCC[NH2+]C1 ZINC001236237802 979462065 /nfs/dbraw/zinc/46/20/65/979462065.db2.gz WCCQEAOCPXOQNS-AWEZNQCLSA-N 2 0 239.407 1.722 20 0 BDADRP [NH3+]CCCCCC(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001341550061 979464848 /nfs/dbraw/zinc/46/48/48/979464848.db2.gz SQGOAUGCJWJCHD-GFCCVEGCSA-N 2 0 241.379 1.154 20 0 BDADRP OCCCN(Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001236268853 979482248 /nfs/dbraw/zinc/48/22/48/979482248.db2.gz IMXMIOVXAVHFGN-HNNXBMFYSA-N 2 0 248.370 1.623 20 0 BDADRP [NH3+]CCCCCC(=O)Nc1cccc2c1C[NH2+]C2 ZINC001341624825 979496743 /nfs/dbraw/zinc/49/67/43/979496743.db2.gz XRIDXYCEDINNDH-UHFFFAOYSA-N 2 0 247.342 1.747 20 0 BDADRP Cc1nc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)co1 ZINC001236314367 979525123 /nfs/dbraw/zinc/52/51/23/979525123.db2.gz CHOXDAWZUPCIBE-TXEJJXNPSA-N 2 0 235.331 1.414 20 0 BDADRP Cc1cnc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cn1 ZINC001236316263 979527374 /nfs/dbraw/zinc/52/73/74/979527374.db2.gz QIQDZOLGYBOZDQ-BETUJISGSA-N 2 0 246.358 1.216 20 0 BDADRP C(C1CCOCC1)[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236315228 979528021 /nfs/dbraw/zinc/52/80/21/979528021.db2.gz WTGDYKBRBRRPHQ-OKILXGFUSA-N 2 0 238.375 1.344 20 0 BDADRP c1csc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)n1 ZINC001236316473 979529737 /nfs/dbraw/zinc/52/97/37/979529737.db2.gz SURNMFZLEKBVII-PHIMTYICSA-N 2 0 237.372 1.575 20 0 BDADRP Oc1cccnc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236316552 979530224 /nfs/dbraw/zinc/53/02/24/979530224.db2.gz UESFFFCHUITWMD-TXEJJXNPSA-N 2 0 247.342 1.219 20 0 BDADRP Cc1ccncc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236319905 979531439 /nfs/dbraw/zinc/53/14/39/979531439.db2.gz HPGFTPRSTQPGQB-OKILXGFUSA-N 2 0 245.370 1.821 20 0 BDADRP c1cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)sn1 ZINC001236321145 979532854 /nfs/dbraw/zinc/53/28/54/979532854.db2.gz GGJGYJCYYYWRCX-PHIMTYICSA-N 2 0 237.372 1.575 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CC[C@]23CCOC3)CC1 ZINC001182434330 979534026 /nfs/dbraw/zinc/53/40/26/979534026.db2.gz NZUNQULAFSDIGC-CQSZACIVSA-N 2 0 238.375 1.583 20 0 BDADRP C[C@H]([NH3+])CN(C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236374141 979572741 /nfs/dbraw/zinc/57/27/41/979572741.db2.gz PFZRQQHIMQINSQ-QWHCGFSZSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@H]1[C@@H]([NH3+])CCCN1Cc1ccc2c(c1)C[NH2+]C2 ZINC001236415988 979589616 /nfs/dbraw/zinc/58/96/16/979589616.db2.gz BCPVGTXERDOWSH-NHYWBVRUSA-N 2 0 245.370 1.601 20 0 BDADRP C[NH2+]C[C@H]1CCCN1C[C@@H]([NH3+])c1ccccc1 ZINC001236420858 979589856 /nfs/dbraw/zinc/58/98/56/979589856.db2.gz QQYMQKUHRCEPHM-ZIAGYGMSSA-N 2 0 233.359 1.370 20 0 BDADRP C[NH2+]C[C@H]1CCCN1Cc1cccc(C[NH3+])c1 ZINC001236421152 979591189 /nfs/dbraw/zinc/59/11/89/979591189.db2.gz AFORMIDNDCXVFD-CQSZACIVSA-N 2 0 233.359 1.329 20 0 BDADRP CC[C@@H]([NH3+])CN(CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236458760 979599320 /nfs/dbraw/zinc/59/93/20/979599320.db2.gz XWOMSEOINDRRID-GFCCVEGCSA-N 2 0 241.423 1.824 20 0 BDADRP CC(C)N(C[C@@H]1CCCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC001236468745 979602631 /nfs/dbraw/zinc/60/26/31/979602631.db2.gz LPBTUFMBKOEPKH-UONOGXRCSA-N 2 0 239.407 1.591 20 0 BDADRP CC(C)N(CC[C@@H]1CCC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC001236526625 979614159 /nfs/dbraw/zinc/61/41/59/979614159.db2.gz KWXYRAJCGMEAFQ-KBPBESRZSA-N 2 0 239.407 1.448 20 0 BDADRP CNCC[N@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236566880 979639085 /nfs/dbraw/zinc/63/90/85/979639085.db2.gz ODCQRXIJNVKYFI-MQMHXKEQSA-N 2 0 239.407 1.720 20 0 BDADRP [NH3+][C@H]1CC[C@H]([N@H+](CCCCO)C2CCC2)CC1 ZINC001236573252 979639914 /nfs/dbraw/zinc/63/99/14/979639914.db2.gz ZYLSVMMKNAOMPE-MQMHXKEQSA-N 2 0 240.391 1.883 20 0 BDADRP C[C@]1(C[NH3+])CCCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC001206541714 979644645 /nfs/dbraw/zinc/64/46/45/979644645.db2.gz IFLYDCLYPCQZSA-UONOGXRCSA-N 3 0 239.407 1.437 20 0 BDADRP C[C@@H]1CN(C[C@@H]([NH3+])c2ccccc2)C[C@@H](C)[NH2+]1 ZINC001236577140 979652551 /nfs/dbraw/zinc/65/25/51/979652551.db2.gz UUOKUUDVZJSOES-YRGRVCCFSA-N 2 0 233.359 1.369 20 0 BDADRP C([C@H]1CCC[NH2+]1)N(C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236584483 979665094 /nfs/dbraw/zinc/66/50/94/979665094.db2.gz FRGBMIUSPJAPCK-CHWSQXEVSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@]1(C[NH3+])CCCC[N@H+](Cc2ccc[nH]c2=O)C1 ZINC001206549654 979702476 /nfs/dbraw/zinc/70/24/76/979702476.db2.gz POFZAENXFPLJFV-CQSZACIVSA-N 2 0 249.358 1.738 20 0 BDADRP C[C@@]1([NH3+])CCC[N@H+](CCCCCC[NH3+])CC1 ZINC001205255089 979732213 /nfs/dbraw/zinc/73/22/13/979732213.db2.gz GLONLSSBQJUPBW-CYBMUJFWSA-N 3 0 227.396 1.709 20 0 BDADRP CC(C)([NH3+])c1ccc(NC(=O)CC2([NH3+])CC2)cc1 ZINC001342257855 979736446 /nfs/dbraw/zinc/73/64/46/979736446.db2.gz DAYIASJKSFCLNO-UHFFFAOYSA-N 2 0 247.342 1.700 20 0 BDADRP CC[C@H]([NH3+])CN(C)CC[C@@H]1CCCC[NH2+]1 ZINC001236859879 979767018 /nfs/dbraw/zinc/76/70/18/979767018.db2.gz OMUGFDDJHLTGKW-RYUDHWBXSA-N 2 0 213.369 1.188 20 0 BDADRP C[C@H]([NH3+])CN(C)C(=O)[C@H]([NH3+])C1CCCCCC1 ZINC001342338303 979774164 /nfs/dbraw/zinc/77/41/64/979774164.db2.gz SQRCISACSPTSHT-CMPLNLGQSA-N 2 0 241.379 1.090 20 0 BDADRP [NH3+]CCCCCN1Cc2ccccc2C[C@H]1C[NH3+] ZINC001237019700 979803625 /nfs/dbraw/zinc/80/36/25/979803625.db2.gz KEUCMXVCZMSCHL-HNNXBMFYSA-N 2 0 247.386 1.501 20 0 BDADRP C[C@]1(C[NH3+])CCCN(CC[C@H]2CCCC[NH2+]2)C1 ZINC001237055184 979810971 /nfs/dbraw/zinc/81/09/71/979810971.db2.gz AQYXOXFEUJPMHC-ZIAGYGMSSA-N 2 0 239.407 1.579 20 0 BDADRP CC[NH+](CC)CC[C@H](C)NC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC001342630282 979843635 /nfs/dbraw/zinc/84/36/35/979843635.db2.gz BDZFHHGRKRHQJF-SRVKXCTJSA-N 2 0 243.395 1.206 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CN1CCC[NH2+]C1CCCCC1 ZINC001237205230 979843977 /nfs/dbraw/zinc/84/39/77/979843977.db2.gz YABQJOHBXKUJNY-OLZOCXBDSA-N 2 0 239.407 1.720 20 0 BDADRP C[C@]1([NH3+])CCC[N@H+](Cc2cccnc2N)CC1 ZINC001205280796 979881965 /nfs/dbraw/zinc/88/19/65/979881965.db2.gz JCMXPLFGGIGBCP-ZDUSSCGKSA-N 2 0 234.347 1.367 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[NH+]3CCC2CC3)CO1 ZINC001184135950 979947657 /nfs/dbraw/zinc/94/76/57/979947657.db2.gz XXLQGDJUTXOZRA-WXHSDQCUSA-N 2 0 224.348 1.095 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC1(F)F ZINC001184135088 979948139 /nfs/dbraw/zinc/94/81/39/979948139.db2.gz KRBJJPMBRHQEBU-WCQGTBRESA-N 2 0 244.329 1.962 20 0 BDADRP CC(C)([NH3+])c1ccc(NC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC001343144035 980021380 /nfs/dbraw/zinc/02/13/80/980021380.db2.gz VCZIETCKUYZXDX-LBPRGKRZSA-N 2 0 247.342 1.571 20 0 BDADRP CC=C(NC=[NH2+])c1cnn(CC[NH+](CC)CC)c1 ZINC001239193879 980495496 /nfs/dbraw/zinc/49/54/96/980495496.db2.gz BOFIHCZRLYXHQH-PQMHYQBVSA-N 2 0 249.362 1.782 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001345096956 980547620 /nfs/dbraw/zinc/54/76/20/980547620.db2.gz HKLZSLYZCLBOBL-RYUDHWBXSA-N 2 0 226.364 1.391 20 0 BDADRP CCC[NH2+]CCNCc1ccc(C[NH3+])cc1 ZINC001345159812 980569294 /nfs/dbraw/zinc/56/92/94/980569294.db2.gz MYUQGYZTBUVPSG-UHFFFAOYSA-N 2 0 221.348 1.235 20 0 BDADRP C[NH2+][C@H](C)CCN[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC001345481469 980619008 /nfs/dbraw/zinc/61/90/08/980619008.db2.gz CFIUKDADVANOFW-DMDPSCGWSA-N 2 0 225.380 1.057 20 0 BDADRP C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC001345610818 980644940 /nfs/dbraw/zinc/64/49/40/980644940.db2.gz GKIBZYXRRSANGE-NXEZZACHSA-N 2 0 249.358 1.802 20 0 BDADRP C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC001345610820 980644970 /nfs/dbraw/zinc/64/49/70/980644970.db2.gz GKIBZYXRRSANGE-UWVGGRQHSA-N 2 0 249.358 1.802 20 0 BDADRP C[NH2+][C@H](C)CCNC(=O)[C@@H](CC(C)(C)C)[NH2+]C ZINC001345993456 980725083 /nfs/dbraw/zinc/72/50/83/980725083.db2.gz QRSRPUDSUDJCNB-GHMZBOCLSA-N 2 0 243.395 1.125 20 0 BDADRP C[C@@H]1C[C@@H]1C[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC000722684740 980880266 /nfs/dbraw/zinc/88/02/66/980880266.db2.gz WRYUSFHRCAEFFE-OPRDCNLKSA-N 2 0 218.291 1.558 20 0 BDADRP [NH3+]C[C@@]1(F)CCC[N@H+](C[C@H]2CCC[NH2+]C2)CC1 ZINC001205537920 980907487 /nfs/dbraw/zinc/90/74/87/980907487.db2.gz KPNXBFXHZOUXLF-QWHCGFSZSA-N 3 0 243.370 1.139 20 0 BDADRP [NH3+]C[C@@]1(F)CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC001205545986 980946468 /nfs/dbraw/zinc/94/64/68/980946468.db2.gz NYTMOILJYGJOSH-VXGBXAGGSA-N 2 0 230.327 1.318 20 0 BDADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cnc[nH]2)CC1 ZINC001205545663 980947165 /nfs/dbraw/zinc/94/71/65/980947165.db2.gz LJYUGRUFHMJISR-LLVKDONJSA-N 2 0 226.299 1.063 20 0 BDADRP C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205545621 980947801 /nfs/dbraw/zinc/94/78/01/980947801.db2.gz KRVOOFPWKOHQPQ-UTUOFQBUSA-N 2 0 214.328 1.795 20 0 BDADRP CC1(C)C[N@H+](C[C@H]2CCC[NH2+]C2)C(C)(C)CO1 ZINC001347098687 980970772 /nfs/dbraw/zinc/97/07/72/980970772.db2.gz REOPKULGQMLSOP-LBPRGKRZSA-N 2 0 240.391 1.875 20 0 BDADRP COC(=O)CCC[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205605038 981183923 /nfs/dbraw/zinc/18/39/23/981183923.db2.gz YPPCKQKBUYDCJQ-VXGBXAGGSA-N 2 0 242.363 1.246 20 0 BDADRP CC[N@@H+]1CCC[C@H](CN[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC001348840501 981455503 /nfs/dbraw/zinc/45/55/03/981455503.db2.gz MJNOLYYOUXIHJZ-MGPQQGTHSA-N 2 0 239.407 1.306 20 0 BDADRP c1cc(C2=CCC[NH2+]C2)nc2c1CC[NH2+]C2 ZINC001240653001 981564928 /nfs/dbraw/zinc/56/49/28/981564928.db2.gz MSWKSSYHFNCGKV-UHFFFAOYSA-N 2 0 215.300 1.104 20 0 BDADRP OC1(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CCC1 ZINC001580880496 981669554 /nfs/dbraw/zinc/66/95/54/981669554.db2.gz QGVXDOQEIGYUOQ-OLZOCXBDSA-N 2 0 238.375 1.223 20 0 BDADRP O[C@]1(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CCC[NH2+]CC1 ZINC001580879919 981677481 /nfs/dbraw/zinc/67/74/81/981677481.db2.gz GUQLWIAXTYUTTJ-XJFOESAGSA-N 2 0 238.375 1.269 20 0 BDADRP O[C@H]1CCCC[C@@H]1C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001580880827 981680355 /nfs/dbraw/zinc/68/03/55/981680355.db2.gz YVXLSLRXKKHWCA-MQYQWHSLSA-N 2 0 238.375 1.079 20 0 BDADRP c1ccc(C2CC2)c(C[NH2+]CC2C[NH2+]C2)c1 ZINC001580891999 981722318 /nfs/dbraw/zinc/72/23/18/981722318.db2.gz LSXWEDGREORBDX-UHFFFAOYSA-N 2 0 216.328 1.873 20 0 BDADRP c1cnc(C[NH2+]C2CC3(C2)CC[NH2+]CC3)cn1 ZINC001580896444 981723800 /nfs/dbraw/zinc/72/38/00/981723800.db2.gz BTANGBTYMVQLJE-UHFFFAOYSA-N 2 0 232.331 1.098 20 0 BDADRP [NH3+]CCc1ccc(C=C2CC[NH2+]CC2)cc1 ZINC001240878891 981931295 /nfs/dbraw/zinc/93/12/95/981931295.db2.gz SNNXMCPYCQRTTN-UHFFFAOYSA-N 2 0 216.328 1.955 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH3+])N(C[C@H]2CCC[NH2+]C2)C1 ZINC001205805070 982568330 /nfs/dbraw/zinc/56/83/30/982568330.db2.gz PYVREHPSNUHMMW-AGIUHOORSA-N 2 0 225.380 1.045 20 0 BDADRP C[N@@H+]1CCC=C(c2ccc3c(n2)CC[NH2+]C3)C1 ZINC001241566419 982810572 /nfs/dbraw/zinc/81/05/72/982810572.db2.gz VXQJDDPBERTAHF-UHFFFAOYSA-N 2 0 229.327 1.446 20 0 BDADRP C[C@H](O)C[NH2+]CC1CC[NH+](C2CCC2)CC1 ZINC001251973706 983057890 /nfs/dbraw/zinc/05/78/90/983057890.db2.gz IBYLQRXYFARPJB-NSHDSACASA-N 2 0 226.364 1.221 20 0 BDADRP CCOC[C@@H](O)C[NH2+]CCCC[NH+](CC)CC ZINC001252042600 983108014 /nfs/dbraw/zinc/10/80/14/983108014.db2.gz NTDHKMLGWBPBBA-ZDUSSCGKSA-N 2 0 246.395 1.095 20 0 BDADRP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1CCCCCC[NH3+] ZINC001205902559 983114507 /nfs/dbraw/zinc/11/45/07/983114507.db2.gz KGVUQDOJUFESRE-STQMWFEESA-N 3 0 227.396 1.565 20 0 BDADRP [NH3+]Cc1ccc(-c2cc(C[NH3+])ccn2)cc1 ZINC001241912268 983128246 /nfs/dbraw/zinc/12/82/46/983128246.db2.gz WBIAXIQQBCOISE-UHFFFAOYSA-N 2 0 213.284 1.666 20 0 BDADRP C[NH+](C)CCN1CC[NH+](CC(C)(C)C)CC1 ZINC001201426763 983225869 /nfs/dbraw/zinc/22/58/69/983225869.db2.gz QHXOGBIVCGOUHG-UHFFFAOYSA-N 2 0 227.396 1.212 20 0 BDADRP C[NH+](C)CCCN1CC[NH+](CC(C)(C)C)CC1 ZINC001201442467 983242764 /nfs/dbraw/zinc/24/27/64/983242764.db2.gz CPUILDVYYGKYKP-UHFFFAOYSA-N 2 0 241.423 1.602 20 0 BDADRP CC[N@@H+]1CCC[C@@]2(C1)COCCN(C(C)C)C2 ZINC001201576509 983342910 /nfs/dbraw/zinc/34/29/10/983342910.db2.gz ZDUQWHXJTJUGIY-AWEZNQCLSA-N 2 0 240.391 1.829 20 0 BDADRP CC[NH2+][C@H](C)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC001355601633 983528924 /nfs/dbraw/zinc/52/89/24/983528924.db2.gz ZYCKDRBDCHRZEU-LLVKDONJSA-N 2 0 243.395 1.031 20 0 BDADRP [NH3+]Cc1ccccc1NC(=O)CC[C@H]1CC[NH2+]C1 ZINC001355718584 983536025 /nfs/dbraw/zinc/53/60/25/983536025.db2.gz JFVQETAJNXLXJH-NSHDSACASA-N 2 0 247.342 1.474 20 0 BDADRP CC[NH+](CC)CC[C@H](C)NC(=O)[C@H]([NH3+])C(C)C ZINC001356115888 983577270 /nfs/dbraw/zinc/57/72/70/983577270.db2.gz AXPBCZHOKWPMMN-NWDGAFQWSA-N 2 0 243.395 1.206 20 0 BDADRP [NH3+][C@@H]1CCCCN(Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC001205939975 983631960 /nfs/dbraw/zinc/63/19/60/983631960.db2.gz XWPQARCIYVFZRO-OAHLLOKOSA-N 2 0 245.370 1.603 20 0 BDADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N1CCC(C)([NH3+])CC1 ZINC001357457357 983720214 /nfs/dbraw/zinc/72/02/14/983720214.db2.gz IBBOCEZJWVVHBS-QWRGUYRKSA-N 2 0 241.379 1.090 20 0 BDADRP CC[N@H+](CCC[NH+](C)C)C[C@H]1CCOC1 ZINC001202528881 983870472 /nfs/dbraw/zinc/87/04/72/983870472.db2.gz HJNNANRIHIVAMW-GFCCVEGCSA-N 2 0 214.353 1.297 20 0 BDADRP C[C@H]1Cc2n[nH]cc2C[N@@H+](CC2CC[NH2+]CC2)C1 ZINC001573653855 984037340 /nfs/dbraw/zinc/03/73/40/984037340.db2.gz DNLFCTBVDOKIMM-NSHDSACASA-N 2 0 248.374 1.404 20 0 BDADRP C(CN1CC[C@H]2C[NH2+]C[C@H]21)C[NH+]1CCCCC1 ZINC001574801638 984117736 /nfs/dbraw/zinc/11/77/36/984117736.db2.gz UMEFUECITLJIFG-UONOGXRCSA-N 2 0 237.391 1.156 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])C[NH2+][C@H]1C[C@@](C)(O)C1 ZINC001575129931 984121105 /nfs/dbraw/zinc/12/11/05/984121105.db2.gz ABCAGTZVYOSSEE-WZRBSPASSA-N 2 0 228.380 1.643 20 0 BDADRP C[C@H](O)C(C)(C)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC001576261907 984158763 /nfs/dbraw/zinc/15/87/63/984158763.db2.gz CEZOBPQKPVOLRG-HBNTYKKESA-N 2 0 214.353 1.253 20 0 BDADRP CCC[C@@H](C[NH2+][C@@](C)(C[NH3+])C(C)C)OC ZINC001577357754 984193079 /nfs/dbraw/zinc/19/30/79/984193079.db2.gz IXBPCSNNDBEKDG-RYUDHWBXSA-N 2 0 216.369 1.765 20 0 BDADRP C[C@@H]([NH3+])C[NH2+][C@H]1CCOCC12CCCC2 ZINC001576160125 984161203 /nfs/dbraw/zinc/16/12/03/984161203.db2.gz YMPNTXHGTKXJCN-MNOVXSKESA-N 2 0 212.337 1.273 20 0 BDADRP C[C@]1(C[NH2+][C@]23C[C@H]2COC32CCC2)CC[NH2+]C1 ZINC001576525223 984174002 /nfs/dbraw/zinc/17/40/02/984174002.db2.gz CIGDMINDLUQXEE-SGMGOOAPSA-N 2 0 236.359 1.287 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2C[C@@H]3CC[C@H]2O3)CCC[NH2+]C1 ZINC001576526102 984174696 /nfs/dbraw/zinc/17/46/96/984174696.db2.gz NIHCOBIVIHUMCL-LOWDOPEQSA-N 2 0 224.348 1.286 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC001577124856 984191441 /nfs/dbraw/zinc/19/14/41/984191441.db2.gz UVBIDXPFQKODDS-DVWMECQTSA-N 2 0 224.348 1.127 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H](C)CC[NH3+])CC1 ZINC001577763382 984203739 /nfs/dbraw/zinc/20/37/39/984203739.db2.gz ABJYOYSFBXSAOO-NSHDSACASA-N 3 0 213.369 1.045 20 0 BDADRP CC[C@@H]1C[C@H]1C[NH2+]C1CCN(CC[NH3+])CC1 ZINC001578228098 984205562 /nfs/dbraw/zinc/20/55/62/984205562.db2.gz UOXXCFZKAOGUJR-NEPJUHHUSA-N 2 0 225.380 1.045 20 0 BDADRP COC(C)(C)[C@H](C)[NH2+]CCC1([NH3+])CCOCC1 ZINC001578892602 984230372 /nfs/dbraw/zinc/23/03/72/984230372.db2.gz ADLTULAXBGKENQ-NSHDSACASA-N 2 0 244.379 1.288 20 0 BDADRP CO[C@@H](CC[NH2+]CC1(C[NH3+])CC1)C(F)(F)F ZINC001578901280 984231315 /nfs/dbraw/zinc/23/13/15/984231315.db2.gz RNWJMTGIZIBFNQ-QMMMGPOBSA-N 2 0 240.269 1.282 20 0 BDADRP Cc1c[nH]c(=O)c(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)c1 ZINC001579544175 984288197 /nfs/dbraw/zinc/28/81/97/984288197.db2.gz QJEVPLDWBYZZNG-YPMHNXCESA-N 2 0 249.358 1.573 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+][C@@H](CO)CC1CCCC1)C2 ZINC001580164412 984405922 /nfs/dbraw/zinc/40/59/22/984405922.db2.gz IGEHEVYYTDIUGB-NELGMTEASA-N 2 0 238.375 1.397 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+][C@@H](CCO)c1ccco1)C2 ZINC001580163848 984407393 /nfs/dbraw/zinc/40/73/93/984407393.db2.gz DXRPZUHLVNTWJZ-CXFXUWLJSA-N 2 0 236.315 1.173 20 0 BDADRP C[NH+](C)CCOc1cccc(C2=CC[NH2+]C2)c1 ZINC001243111121 984576262 /nfs/dbraw/zinc/57/62/62/984576262.db2.gz NAIMCAAUEFEQKJ-UHFFFAOYSA-N 2 0 232.327 1.614 20 0 BDADRP O[C@]1(C[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)CC[NH2+]C1 ZINC001580880466 984605426 /nfs/dbraw/zinc/60/54/26/984605426.db2.gz PJCQONUTUHVZIB-MGPQQGTHSA-N 2 0 238.375 1.269 20 0 BDADRP O[C@@H]1CC[C@@H]2C[N@H+](CC[C@H]3CC[NH2+]C3)C[C@@H]2C1 ZINC001580884584 984618363 /nfs/dbraw/zinc/61/83/63/984618363.db2.gz IBMXVJIUDUDZDT-YIYPIFLZSA-N 2 0 238.375 1.079 20 0 BDADRP O[C@H]1CCCC[C@H]1CC[NH2+][C@H]1CCCNC1 ZINC001580885594 984619531 /nfs/dbraw/zinc/61/95/31/984619531.db2.gz GGQXIBPKICUHGB-AVGNSLFASA-N 2 0 226.364 1.269 20 0 BDADRP CCN(CC)[C@H](C)C[NH2+]C1CC(CC[NH3+])C1 ZINC001577697687 984636649 /nfs/dbraw/zinc/63/66/49/984636649.db2.gz PZOLJNRFVZIOCL-PNESKVBLSA-N 2 0 227.396 1.434 20 0 BDADRP CC[NH+](CC)[C@H](C)CNC(=O)C[NH2+]CC(C)C ZINC001577697324 984637385 /nfs/dbraw/zinc/63/73/85/984637385.db2.gz HWDDDRDFHQUPRM-GFCCVEGCSA-N 2 0 243.395 1.079 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N[C@H](C)C1C[NH2+]C1 ZINC001577687898 984637955 /nfs/dbraw/zinc/63/79/55/984637955.db2.gz UZAQQMQNWUCZBT-VXGBXAGGSA-N 2 0 227.396 1.304 20 0 BDADRP CC[N@H+](CCC(=O)NC)CC(CC)(CC)C[NH3+] ZINC001577711218 984647986 /nfs/dbraw/zinc/64/79/86/984647986.db2.gz YEFLDDWIEMFIPJ-UHFFFAOYSA-N 2 0 243.395 1.210 20 0 BDADRP C[C@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000380153747 984726665 /nfs/dbraw/zinc/72/66/65/984726665.db2.gz JCZANIQBYKQHIO-KBPBESRZSA-N 2 0 240.391 1.565 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H]2CC[NH2+][C@@H]2C)CC1 ZINC001577763589 984730320 /nfs/dbraw/zinc/73/03/20/984730320.db2.gz FQSRSVMNNQBGOH-YPMHNXCESA-N 3 0 225.380 1.058 20 0 BDADRP CCOC(=O)[C@H](C)[C@H](C)[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001577908786 984815342 /nfs/dbraw/zinc/81/53/42/984815342.db2.gz SUSBRVFAAXJNLL-NZCGZZFASA-N 2 0 240.347 1.044 20 0 BDADRP CCOC(=O)[C@H](C)[C@@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC001577908373 984818143 /nfs/dbraw/zinc/81/81/43/984818143.db2.gz HIROBLYPYLJCFO-KKOKHZNYSA-N 2 0 242.363 1.019 20 0 BDADRP C[N@@H+]1CCC2(C1)CC[NH+](Cc1c[nH]cn1)CC2 ZINC001276203134 984826679 /nfs/dbraw/zinc/82/66/79/984826679.db2.gz LOOQQQQIPPDDPE-UHFFFAOYSA-N 2 0 234.347 1.327 20 0 BDADRP CCOC(=O)[C@H](C)[N@H+](C)CCC1CC[NH2+]CC1 ZINC001578025975 984834526 /nfs/dbraw/zinc/83/45/26/984834526.db2.gz NUOGLIFHDADGQR-NSHDSACASA-N 2 0 242.363 1.260 20 0 BDADRP Cn1ccc(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)n1 ZINC001276274075 984839359 /nfs/dbraw/zinc/83/93/59/984839359.db2.gz RRBPPXRMPCNZRZ-UHFFFAOYSA-N 2 0 248.374 1.338 20 0 BDADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCC[NH+](C)C)C1 ZINC001257024789 984847097 /nfs/dbraw/zinc/84/70/97/984847097.db2.gz PGNHNFSSNLIHPV-NEPJUHHUSA-N 2 0 242.363 1.260 20 0 BDADRP CCO[C@H]1COCC[C@H]1[NH2+]CCCCCC[NH3+] ZINC001578100329 984853225 /nfs/dbraw/zinc/85/32/25/984853225.db2.gz REDHUERWPAVZLG-OLZOCXBDSA-N 2 0 244.379 1.289 20 0 BDADRP CC[C@@H]1OCC[C@H]1[NH2+]C1CC(CC[NH3+])C1 ZINC001578228602 984880087 /nfs/dbraw/zinc/88/00/87/984880087.db2.gz DBFNWFAJRXHARV-HCWSGVFWSA-N 2 0 212.337 1.271 20 0 BDADRP CC[C@H]1[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCCOC1 ZINC001578241854 984894234 /nfs/dbraw/zinc/89/42/34/984894234.db2.gz ORJQQBLUYDDANE-TUAOUCFPSA-N 2 0 212.337 1.143 20 0 BDADRP CC[C@H]1[NH2+]CC[C@@H]1NC1CC[NH+](C2CC2)CC1 ZINC001578241836 984896196 /nfs/dbraw/zinc/89/61/96/984896196.db2.gz OBDYYANAMJLLQK-KGLIPLIRSA-N 2 0 237.391 1.343 20 0 BDADRP CCc1ccc2c(c1)CC[N@@H+](C[C@H](O)CC[NH3+])C2 ZINC001578263714 984914656 /nfs/dbraw/zinc/91/46/56/984914656.db2.gz UANCUJZWJBKDFZ-OAHLLOKOSA-N 2 0 248.370 1.317 20 0 BDADRP CCn1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c(C)n1 ZINC001578346408 984987522 /nfs/dbraw/zinc/98/75/22/984987522.db2.gz WKBPFPZBZIOPSJ-ZYHUDNBSSA-N 2 0 236.363 1.238 20 0 BDADRP CN(C)CC(C)(C)[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578413876 985049980 /nfs/dbraw/zinc/04/99/80/985049980.db2.gz XDLHLVDWZBHKBZ-WDEREUQCSA-N 2 0 213.369 1.044 20 0 BDADRP C[N@H+](C[C@]1(C)CCCCO1)C1CC([NH3+])C1 ZINC001578445761 985077556 /nfs/dbraw/zinc/07/75/56/985077556.db2.gz VNXCBHJFIFMTIJ-MCIGGMRASA-N 2 0 212.337 1.367 20 0 BDADRP C[N@H+](C[C@H]1CC[C@@H]([NH3+])C1)C[C@@H]1CCCC[C@H]1O ZINC001578451114 985085040 /nfs/dbraw/zinc/08/50/40/985085040.db2.gz DWTXJLHRIRZVDB-IGQOVBAYSA-N 2 0 240.391 1.597 20 0 BDADRP CCCC[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000040435589 985136922 /nfs/dbraw/zinc/13/69/22/985136922.db2.gz RLPULQLREWEUEI-AWEZNQCLSA-N 2 0 241.423 1.648 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]C3CC(CC[NH3+])C3)[C@H]2C1 ZINC001578520894 985139547 /nfs/dbraw/zinc/13/95/47/985139547.db2.gz IUETXAKSZHUIJN-NMHYENAYSA-N 3 0 237.391 1.044 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H](N[C@@H]3C[C@@H]([NH3+])C3(C)C)[C@H]2C1 ZINC001578521175 985142535 /nfs/dbraw/zinc/14/25/35/985142535.db2.gz MJYGAVWFDYMWRC-JZRPKSSGSA-N 2 0 237.391 1.042 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC001578524474 985152444 /nfs/dbraw/zinc/15/24/44/985152444.db2.gz XCNWFGHCTRXIDI-KBPBESRZSA-N 3 0 237.391 1.141 20 0 BDADRP C[NH2+]C[C@@H](O)C[NH+]1CC(C)(C)CC(C)(C)C1 ZINC001578654766 985270861 /nfs/dbraw/zinc/27/08/61/985270861.db2.gz YVYPYUUETUZELX-LLVKDONJSA-N 2 0 228.380 1.325 20 0 BDADRP C[NH2+]CCC[N@H+](C)CCCC(=O)NCC(C)C ZINC001578687222 985298696 /nfs/dbraw/zinc/29/86/96/985298696.db2.gz BWRYWMUYTQFPMQ-UHFFFAOYSA-N 2 0 243.395 1.080 20 0 BDADRP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC001578787971 985356498 /nfs/dbraw/zinc/35/64/98/985356498.db2.gz GQMQFNNAHBMESS-NNYUYHANSA-N 2 0 242.363 1.147 20 0 BDADRP COC(=O)[C@H]1CC[N@H+](CCC[NH2+]C2CC2)[C@H]1C ZINC001578790513 985359274 /nfs/dbraw/zinc/35/92/74/985359274.db2.gz YDFVBOIREWDCPM-JQWIXIFHSA-N 2 0 240.347 1.012 20 0 BDADRP COC(=O)CC(C)(C)[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001578801701 985366531 /nfs/dbraw/zinc/36/65/31/985366531.db2.gz NEGQFGQISZVUHO-LLVKDONJSA-N 2 0 242.363 1.260 20 0 BDADRP COC(=O)CC1CCC([NH2+][C@H]2C[C@H]([NH3+])C2)CC1 ZINC001578803741 985376959 /nfs/dbraw/zinc/37/69/59/985376959.db2.gz YIEGWPSJVJUDEH-ANRVXECHSA-N 2 0 240.347 1.188 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]C1CC2(CC([NH3+])C2)C1 ZINC001578897062 985475533 /nfs/dbraw/zinc/47/55/33/985475533.db2.gz SNFAUITVXAMTDP-OKBBPXEYSA-N 2 0 212.337 1.269 20 0 BDADRP CO[C@](C)(C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1)C1CC1 ZINC001578898406 985477808 /nfs/dbraw/zinc/47/78/08/985477808.db2.gz YFOUUXGSGKRWGU-MBNYWOFBSA-N 2 0 238.375 1.343 20 0 BDADRP C[C@H](C[NH2+][C@@H]1COC[C@H]1C)C[NH+]1CCCCC1 ZINC000688025468 985502433 /nfs/dbraw/zinc/50/24/33/985502433.db2.gz PEXXDAQWIIMOQW-MGPQQGTHSA-N 2 0 240.391 1.733 20 0 BDADRP CO[C@H](C[NH2+][C@@H](C)CC[NH3+])CC(C)C ZINC001578912886 985511193 /nfs/dbraw/zinc/51/11/93/985511193.db2.gz OIILNVCVCVRNLN-QWRGUYRKSA-N 2 0 202.342 1.374 20 0 BDADRP COC1(C[NH2+]C2CC3(C[C@@H]3[NH3+])C2)CCCC1 ZINC001578930027 985535008 /nfs/dbraw/zinc/53/50/08/985535008.db2.gz NCOCRAPKUNCPCI-CXQJBGSLSA-N 2 0 224.348 1.415 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1COC[C@@H]1C ZINC000688050059 985535338 /nfs/dbraw/zinc/53/53/38/985535338.db2.gz SHDOLNRCAHHIEQ-NWDGAFQWSA-N 2 0 214.353 1.341 20 0 BDADRP COC1(CC[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)CCC1 ZINC001578927368 985537710 /nfs/dbraw/zinc/53/77/10/985537710.db2.gz WLGKMBLFPBHXOW-OCCSQVGLSA-N 2 0 238.375 1.759 20 0 BDADRP CO[C@H]1C[C@H]([NH2+][C@H]2C[C@@H]([NH3+])C2)C12CCC2 ZINC001578935840 985546051 /nfs/dbraw/zinc/54/60/51/985546051.db2.gz LHACVNJMVCAWTD-VLEAKVRGSA-N 2 0 210.321 1.023 20 0 BDADRP CO[C@H]1CC[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C1 ZINC001578937922 985553714 /nfs/dbraw/zinc/55/37/14/985553714.db2.gz NAOJCAGPDKPEQY-WOPDTQHZSA-N 2 0 212.337 1.143 20 0 BDADRP COC[C@H](C)C[NH2+]C[C@@H]1CCC[NH2+]CC1 ZINC001578957494 985581860 /nfs/dbraw/zinc/58/18/60/985581860.db2.gz OUSXCSKFGVMHBW-VXGBXAGGSA-N 2 0 214.353 1.248 20 0 BDADRP COCC1([NH2+]C[C@@H]2CCC[NH2+]C2)CCCCC1 ZINC001578984363 985603296 /nfs/dbraw/zinc/60/32/96/985603296.db2.gz RSRUTOSAEAPPFF-CYBMUJFWSA-N 2 0 240.391 1.925 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+]CC[C@@H]1CCSC1 ZINC001579003368 985664683 /nfs/dbraw/zinc/66/46/83/985664683.db2.gz GQTLMEABQLFMOH-MNOVXSKESA-N 2 0 232.393 1.083 20 0 BDADRP CC[C@H](CC(F)F)CN(C)CC[NH2+]C ZINC000688750508 985721359 /nfs/dbraw/zinc/72/13/59/985721359.db2.gz MSGMKXULWQQYSY-SECBINFHSA-N 2 0 208.296 1.819 20 0 BDADRP C[C@H]1CCC[C@H](C[NH2+]CC2CC[NH+](C)CC2)O1 ZINC000688854521 985742925 /nfs/dbraw/zinc/74/29/25/985742925.db2.gz UJNQJBDJZXVDEM-GXTWGEPZSA-N 2 0 240.391 1.875 20 0 BDADRP C[S@](=O)[C@H]1CC[C@H]([NH2+]C2CC(CC[NH3+])C2)C1 ZINC001579354684 985854364 /nfs/dbraw/zinc/85/43/64/985854364.db2.gz FLIBYJNEAYUABJ-DFEFIRGGSA-N 2 0 244.404 1.003 20 0 BDADRP CS[C@H]1CC[C@@H]1N[C@@H]1C[NH2+]C[C@H]1C ZINC001579366685 985860372 /nfs/dbraw/zinc/86/03/72/985860372.db2.gz AJDIKKQTPMJJHT-RGOKHQFPSA-N 2 0 200.351 1.078 20 0 BDADRP CS[C@H]1CCC[C@@H]([NH2+]CC[C@H](C)[NH3+])C1 ZINC001579370541 985865376 /nfs/dbraw/zinc/86/53/76/985865376.db2.gz RWPIEHFLUFBFEC-AXFHLTTASA-N 2 0 216.394 1.988 20 0 BDADRP C[C@H]([C@H](C)O)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC001460695073 985875300 /nfs/dbraw/zinc/87/53/00/985875300.db2.gz YHTUKHQGMCWWLS-KGLIPLIRSA-N 2 0 242.407 1.954 20 0 BDADRP C[C@@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)[C@@H]1CO ZINC001579423280 985902708 /nfs/dbraw/zinc/90/27/08/985902708.db2.gz YJJAMQPROWHSLP-FRRDWIJNSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@H](CC1CC1)[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001258468135 985926378 /nfs/dbraw/zinc/92/63/78/985926378.db2.gz SVXUUBDDUWPJSR-CYBMUJFWSA-N 2 0 239.407 1.354 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cn(C2CC2)cn1 ZINC001579454455 985942915 /nfs/dbraw/zinc/94/29/15/985942915.db2.gz DFFKRJAXIZUEEG-VXGBXAGGSA-N 2 0 248.374 1.553 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1CCC(C)(O)CC1 ZINC001579459770 985956230 /nfs/dbraw/zinc/95/62/30/985956230.db2.gz WPQPAAPLURXBOQ-IALDZJHCSA-N 2 0 226.364 1.125 20 0 BDADRP C[C@@]12C[NH2+]C[C@@H]1C[N@H+](CC[C@H]1CCCO1)C2 ZINC001579473823 985982022 /nfs/dbraw/zinc/98/20/22/985982022.db2.gz ONVNHZIVFDLGBX-UPJWGTAASA-N 2 0 224.348 1.097 20 0 BDADRP C[C@H]1[NH2+]CC[C@@H]1[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC001579505283 986047474 /nfs/dbraw/zinc/04/74/74/986047474.db2.gz TWCVIUAUEYHTLC-AGIUHOORSA-N 2 0 238.375 1.818 20 0 BDADRP Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@H]1C[C@H]1[NH3+] ZINC001579593218 986097462 /nfs/dbraw/zinc/09/74/62/986097462.db2.gz WQSBAXRROPKCAC-NWDGAFQWSA-N 2 0 247.342 1.342 20 0 BDADRP Cc1cc(C[NH2+]C2CC3(C[C@@H]3[NH3+])C2)ccn1 ZINC001579600820 986109930 /nfs/dbraw/zinc/10/99/30/986109930.db2.gz BBSVHBLXTXJXIO-CPCZMJQVSA-N 2 0 217.316 1.359 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cccnc3)[C@@H]2C1 ZINC001461832165 986197021 /nfs/dbraw/zinc/19/70/21/986197021.db2.gz UBEXWJHICKHHPT-MJBXVCDLSA-N 2 0 231.343 1.511 20 0 BDADRP Cc1cccc2c1C[C@H]([NH2+]C1CC([NH3+])C1)CO2 ZINC001579776183 986214727 /nfs/dbraw/zinc/21/47/27/986214727.db2.gz JDLBAJWHKMXZAE-MCIGGMRASA-N 2 0 232.327 1.378 20 0 BDADRP Cc1n[nH]cc1C[NH2+]C[C@H]1CCC[NH2+]CC1 ZINC001579839783 986268257 /nfs/dbraw/zinc/26/82/57/986268257.db2.gz RFLARQMMEFPCNB-NSHDSACASA-N 2 0 222.336 1.197 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@]2(C)CCCCO2)C1 ZINC001462084309 986280418 /nfs/dbraw/zinc/28/04/18/986280418.db2.gz ZYIIXTPUGCUMDK-UONOGXRCSA-N 2 0 240.391 1.829 20 0 BDADRP Cc1nccnc1[C@H](C)[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001579882584 986299691 /nfs/dbraw/zinc/29/96/91/986299691.db2.gz AQDZXCMIKXKIKS-MSLYCWSTSA-N 2 0 232.331 1.315 20 0 BDADRP Cc1scc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c1C ZINC001579937211 986354842 /nfs/dbraw/zinc/35/48/42/986354842.db2.gz NVYLSOTUVVPQEV-CMPLNLGQSA-N 2 0 240.372 1.035 20 0 BDADRP Cn1cnnc1[C@H]1CCC[N@@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001579986147 986389891 /nfs/dbraw/zinc/38/98/91/986389891.db2.gz SWSUMXJTEWNXOV-QJPTWQEYSA-N 2 0 249.362 1.079 20 0 BDADRP Cn1nccc1C[C@@H]1CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC001580013057 986411506 /nfs/dbraw/zinc/41/15/06/986411506.db2.gz KLNPSUCCXZFVCZ-JSGCOSHPSA-N 2 0 248.374 1.037 20 0 BDADRP Cn1nccc1C[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC001580013314 986412956 /nfs/dbraw/zinc/41/29/56/986412956.db2.gz PJGMIENFAZXPMQ-UHFFFAOYSA-N 2 0 244.342 1.211 20 0 BDADRP FC1(F)[C@@H]2CC[N@H+](CCC3C[NH2+]C3)C[C@@H]21 ZINC001580023828 986423261 /nfs/dbraw/zinc/42/32/61/986423261.db2.gz HLHBBXFRAYVGQL-ZJUUUORDSA-N 2 0 216.275 1.183 20 0 BDADRP CC(C)[C@H](O)C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC001253788554 986432822 /nfs/dbraw/zinc/43/28/22/986432822.db2.gz VSHBEBHIANZDBD-JXQTWKCFSA-N 2 0 242.407 1.713 20 0 BDADRP Cc1ncc(C[NH2+]C[C@@H]2C[NH+]3CCC2CC3)n1C ZINC001462638692 986473950 /nfs/dbraw/zinc/47/39/50/986473950.db2.gz ZBXVWARSXKDDPV-CYBMUJFWSA-N 2 0 248.374 1.160 20 0 BDADRP Cc1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)[nH]n1 ZINC001261298113 986510612 /nfs/dbraw/zinc/51/06/12/986510612.db2.gz ADMYRQRAWKNCMX-GFCCVEGCSA-N 2 0 236.363 1.540 20 0 BDADRP [NH3+][C@H]1CC12CC([NH2+]Cc1cnc3n1CCCC3)C2 ZINC001580165434 986635868 /nfs/dbraw/zinc/63/58/68/986635868.db2.gz LBJHQQZDLJWDPV-KHJSKFAYSA-N 2 0 246.358 1.189 20 0 BDADRP [NH3+]C1CC2(C1)CC([NH2+]Cc1ccc(CO)o1)C2 ZINC001580165133 986637624 /nfs/dbraw/zinc/63/76/24/986637624.db2.gz FIMSRJNLTCFNOF-UHFFFAOYSA-N 2 0 236.315 1.131 20 0 BDADRP [NH3+][C@H]1CC12CC([NH2+]CC[C@@H]1CCCC[C@@H]1O)C2 ZINC001580164339 986638098 /nfs/dbraw/zinc/63/80/98/986638098.db2.gz HJYOTLPXSNKGQR-NBWCBLLSSA-N 2 0 238.375 1.397 20 0 BDADRP [NH3+]C1CC([NH2+][C@H](C2CCC2)[C@@H]2CCCO2)C1 ZINC001580167051 986641885 /nfs/dbraw/zinc/64/18/85/986641885.db2.gz ZEEQUUUPBMSZHZ-IFWUJCSASA-N 2 0 224.348 1.413 20 0 BDADRP [NH3+][C@H]1CC12CC([NH2+]CCc1ccoc1)C2 ZINC001580167224 986644667 /nfs/dbraw/zinc/64/46/67/986644667.db2.gz VWIPXITVWSNUNO-CXQJBGSLSA-N 2 0 206.289 1.292 20 0 BDADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@H]1CCCC[C@@H]1O)C2 ZINC001580170795 986646363 /nfs/dbraw/zinc/64/63/63/986646363.db2.gz ZKSWUZAOFJKIDH-ZSLBOAEBSA-N 2 0 238.375 1.349 20 0 BDADRP COC[C@H]1CC[N@@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254517551 986653799 /nfs/dbraw/zinc/65/37/99/986653799.db2.gz VFQREGCBRDOVPO-STQMWFEESA-N 2 0 226.364 1.439 20 0 BDADRP COCC[NH+](CCOC)[C@H]1CCC[N@H+](C)CC1 ZINC001254515729 986665530 /nfs/dbraw/zinc/66/55/30/986665530.db2.gz BPEMUWVOODDPLT-ZDUSSCGKSA-N 2 0 244.379 1.066 20 0 BDADRP [NH3+]CC1(C[NH2+]C[C@@H](CO)CC2CC2)CCC1 ZINC001580244443 986693504 /nfs/dbraw/zinc/69/35/04/986693504.db2.gz XCLCOUXADBGTDL-LBPRGKRZSA-N 2 0 226.364 1.114 20 0 BDADRP [NH3+]CC1(C[N@@H+]2CCC[C@H](c3ccncn3)C2)CC1 ZINC001580243405 986694242 /nfs/dbraw/zinc/69/42/42/986694242.db2.gz FPCYYJLDNCYUOY-LBPRGKRZSA-N 2 0 246.358 1.395 20 0 BDADRP [NH3+]CC1CC([NH2+]C[C@]23OCCC[C@H]2C3(F)F)C1 ZINC001580254954 986707270 /nfs/dbraw/zinc/70/72/70/986707270.db2.gz GCXKCXYEQNZCHM-LXKPXOPUSA-N 2 0 246.301 1.128 20 0 BDADRP [NH3+]C[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2O3)C1 ZINC001580260809 986715844 /nfs/dbraw/zinc/71/58/44/986715844.db2.gz SDNSANRBXNIXQN-RNWYCLNJSA-N 2 0 210.321 1.023 20 0 BDADRP [NH3+]C[C@@H]1CCCC12CC[NH+](Cc1cn[nH]n1)CC2 ZINC001580261203 986715941 /nfs/dbraw/zinc/71/59/41/986715941.db2.gz XOFBTOMOEBUUQZ-NSHDSACASA-N 2 0 249.362 1.146 20 0 BDADRP [NH3+]CCC[NH2+]Cc1cnc2ccc(Cl)cn12 ZINC001580298649 986736164 /nfs/dbraw/zinc/73/61/64/986736164.db2.gz UFSBFOCGTGITPV-UHFFFAOYSA-N 2 0 238.722 1.426 20 0 BDADRP [NH3+]CCCOCC[NH2+]Cc1cccc2n[nH]cc21 ZINC001580300924 986736239 /nfs/dbraw/zinc/73/62/39/986736239.db2.gz DSVVOMJNPYUCNA-UHFFFAOYSA-N 2 0 248.330 1.018 20 0 BDADRP [NH3+]Cc1cccc(C[NH2+][C@H]2CCOC2)c1 ZINC001580342907 986781733 /nfs/dbraw/zinc/78/17/33/986781733.db2.gz NWRMOUGERTXZSD-LBPRGKRZSA-N 2 0 206.289 1.024 20 0 BDADRP [NH3+]Cc1cccc(C[NH2+][C@]23C[C@H]2COC3)c1 ZINC001580342878 986783079 /nfs/dbraw/zinc/78/30/79/986783079.db2.gz MINHIILZKGLLQK-STQMWFEESA-N 2 0 218.300 1.024 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1NCC[NH+]1CCCCC1 ZINC001580372005 986800519 /nfs/dbraw/zinc/80/05/19/986800519.db2.gz KYSZBESWSZZMBX-CHWSQXEVSA-N 2 0 225.380 1.332 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@@](O)(C3CC3)C2)C1 ZINC001580387260 986811652 /nfs/dbraw/zinc/81/16/52/986811652.db2.gz VBGGQDUIDSOQHP-YUTCNCBUSA-N 2 0 238.375 1.351 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@]23CCC[C@H]2OCC3)C1 ZINC001580389518 986816469 /nfs/dbraw/zinc/81/64/69/986816469.db2.gz MDUPHCCEERXSKW-LOWDOPEQSA-N 2 0 224.348 1.415 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H](CO)CC2CCCC2)C1 ZINC001580421202 986838202 /nfs/dbraw/zinc/83/82/02/986838202.db2.gz DERIITFUNIZJLY-XQQFMLRXSA-N 2 0 226.364 1.255 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]CC2CCSCC2)C1 ZINC001580422652 986838953 /nfs/dbraw/zinc/83/89/53/986838953.db2.gz BMIZPFUXOSGWLO-AOOOYVTPSA-N 2 0 200.351 1.209 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+][C@H]2CCCSCC2)C1 ZINC001580423462 986841986 /nfs/dbraw/zinc/84/19/86/986841986.db2.gz ZVBSIZKSABESJT-LPEHRKFASA-N 2 0 200.351 1.351 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+][C@@H]2CCCSCC2)C1 ZINC001580430793 986847740 /nfs/dbraw/zinc/84/77/40/986847740.db2.gz ZVBSIZKSABESJT-OPRDCNLKSA-N 2 0 200.351 1.351 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)C1 ZINC001580430453 986848660 /nfs/dbraw/zinc/84/86/60/986848660.db2.gz MOKDWOPEJYVHBV-OFTGVCEQSA-N 2 0 224.348 1.271 20 0 BDADRP C[N@@H+]1C[C@@H]2CCCN([C@H]3CCC[NH+](C)C3)[C@@H]2C1 ZINC001255490818 986986631 /nfs/dbraw/zinc/98/66/31/986986631.db2.gz YIGHTGYVKSIBKE-MELADBBJSA-N 2 0 237.391 1.107 20 0 BDADRP CCCC[C@H](O)C[NH2+]C[C@H]1CC[C@H](C)[NH2+]C1 ZINC001245971377 987244482 /nfs/dbraw/zinc/24/44/82/987244482.db2.gz GBVMNNLEIYINPA-XQQFMLRXSA-N 2 0 228.380 1.515 20 0 BDADRP C[C@@](O)(C[NH2+]CC1([NH3+])CCCC1)c1ccccc1 ZINC001245973764 987250811 /nfs/dbraw/zinc/25/08/11/987250811.db2.gz IASJCOAGGCHCEE-CQSZACIVSA-N 2 0 248.370 1.755 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1C[NH2+]C[C@H](O)c1ccccc1 ZINC001245981950 987255537 /nfs/dbraw/zinc/25/55/37/987255537.db2.gz IPDRJSCNILMZDC-QEJZJMRPSA-N 2 0 248.370 1.698 20 0 BDADRP CC(C)[C@@H](O)C[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001245981752 987255609 /nfs/dbraw/zinc/25/56/09/987255609.db2.gz QLMKHIDYWOMFLN-STQMWFEESA-N 2 0 240.391 1.515 20 0 BDADRP CCCCC[C@@H](O)C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC001245982546 987257508 /nfs/dbraw/zinc/25/75/08/987257508.db2.gz FWNXGWOTIPVJIZ-QWHCGFSZSA-N 2 0 228.380 1.517 20 0 BDADRP CCC[C@H](O)C[NH2+]C[C@@H]1CCC[NH2+][C@@H]1C ZINC001245981550 987259112 /nfs/dbraw/zinc/25/91/12/987259112.db2.gz HZPXYOZOVRYYHB-WOPDTQHZSA-N 2 0 214.353 1.125 20 0 BDADRP CC(C)(O)C[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001245983987 987268178 /nfs/dbraw/zinc/26/81/78/987268178.db2.gz WLHRDEIGFLMMSD-LLVKDONJSA-N 2 0 226.364 1.269 20 0 BDADRP C[C@H]([NH3+])CC[NH2+]C[C@@](C)(O)c1ccccc1 ZINC001245999818 987285504 /nfs/dbraw/zinc/28/55/04/987285504.db2.gz KEWUSSUSIRQJTD-WCQYABFASA-N 2 0 222.332 1.221 20 0 BDADRP CCn1ccnc1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000692472303 987290323 /nfs/dbraw/zinc/29/03/23/987290323.db2.gz DBKOGMPEFKKXKQ-LLVKDONJSA-N 2 0 222.336 1.074 20 0 BDADRP CCCCC[C@@H](O)CN1CC[C@@](C)([NH3+])C1 ZINC001246014859 987295200 /nfs/dbraw/zinc/29/52/00/987295200.db2.gz SIVMVVLSWMSRNR-VXGBXAGGSA-N 2 0 214.353 1.351 20 0 BDADRP C[C@H](O)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000692911883 987296684 /nfs/dbraw/zinc/29/66/84/987296684.db2.gz FDEZLOXRSVQNGW-WCQYABFASA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H]1CC[N@H+](CC(C)(C)O)CC[C@@H]1C[NH3+] ZINC001246024153 987299693 /nfs/dbraw/zinc/29/96/93/987299693.db2.gz QRGMLDSVUXOEHB-GHMZBOCLSA-N 2 0 214.353 1.064 20 0 BDADRP CC(C)(C)[C@@H](O)C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246020797 987305677 /nfs/dbraw/zinc/30/56/77/987305677.db2.gz MEYMLBJDSSUWOV-AAEUAGOBSA-N 2 0 246.370 1.546 20 0 BDADRP CCCC[C@H](O)C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246020608 987307939 /nfs/dbraw/zinc/30/79/39/987307939.db2.gz IWHJAHBYATZLGE-UONOGXRCSA-N 2 0 242.407 1.988 20 0 BDADRP CCCC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001246023260 987314978 /nfs/dbraw/zinc/31/49/78/987314978.db2.gz PDIBKHWQPVCSSL-RDBSUJKOSA-N 2 0 242.407 1.844 20 0 BDADRP CC(C)(C)[C@H](O)C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246023080 987315015 /nfs/dbraw/zinc/31/50/15/987315015.db2.gz RZTWDFNUDABOGW-DGCLKSJQSA-N 2 0 228.380 1.597 20 0 BDADRP CCC[C@@H](O)C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246030159 987331869 /nfs/dbraw/zinc/33/18/69/987331869.db2.gz FBCQEQSHVWNTBU-VXGBXAGGSA-N 2 0 214.353 1.208 20 0 BDADRP CCC[C@@H](O)C[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246031535 987331964 /nfs/dbraw/zinc/33/19/64/987331964.db2.gz QWSZTPBRLQGQTR-OLZOCXBDSA-N 2 0 226.364 1.365 20 0 BDADRP CC(C)[C@H](O)C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001246031479 987333672 /nfs/dbraw/zinc/33/36/72/987333672.db2.gz QBHWLCCBOCGZGW-RWMBFGLXSA-N 2 0 228.380 1.310 20 0 BDADRP C[C@H]1COCC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000697034792 987346143 /nfs/dbraw/zinc/34/61/43/987346143.db2.gz AHVASPRGOGAOJX-CHWSQXEVSA-N 2 0 226.364 1.344 20 0 BDADRP CC1(C)[C@@H]2C[N@@H+](C[C@@H]3CCCC[NH2+]C3)C[C@@H]21 ZINC000697017507 987347340 /nfs/dbraw/zinc/34/73/40/987347340.db2.gz UIDUYTJNTXZTMP-UPJWGTAASA-N 2 0 222.376 1.964 20 0 BDADRP CCCC[C@H](O)C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001246060953 987348973 /nfs/dbraw/zinc/34/89/73/987348973.db2.gz RZBFMBGLYYDTEQ-IHRRRGAJSA-N 2 0 240.391 1.611 20 0 BDADRP COC(=O)CCCC[C@H](C)[NH2+]C1CC[NH2+]CC1 ZINC001246073154 987361183 /nfs/dbraw/zinc/36/11/83/987361183.db2.gz PNTWNSPAOWRUHU-NSHDSACASA-N 2 0 242.363 1.450 20 0 BDADRP CC(C)[C@H]1C[C@@H](NCC2([NH3+])CCCC2)CC[NH2+]1 ZINC001246075123 987365010 /nfs/dbraw/zinc/36/50/10/987365010.db2.gz HUPCXUMCCBGGIK-QWHCGFSZSA-N 2 0 239.407 1.624 20 0 BDADRP [NH3+]C[C@@H](NC1CC[NH2+]CC1)c1ccccc1 ZINC001246074320 987365672 /nfs/dbraw/zinc/36/56/72/987365672.db2.gz CSHKABWHUSWRPU-CYBMUJFWSA-N 2 0 219.332 1.028 20 0 BDADRP C1C[C@H](N[C@H]2CCCC[NH2+]C2)CS1 ZINC001246089498 987366435 /nfs/dbraw/zinc/36/64/35/987366435.db2.gz FNADHJGNVBEBKE-UWVGGRQHSA-N 2 0 200.351 1.224 20 0 BDADRP CC[C@@H](C)C[C@@H]([NH3+])C(=O)NCC[NH+](CC)CC ZINC000400770759 987368630 /nfs/dbraw/zinc/36/86/30/987368630.db2.gz CJSJUUCPSLOFAZ-VXGBXAGGSA-N 2 0 243.395 1.208 20 0 BDADRP C[C@@H]1CC(NC[C@@H]2CC[C@H](C)[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC001246078327 987369623 /nfs/dbraw/zinc/36/96/23/987369623.db2.gz AHRGTXPTCKMFOK-UMSGYPCISA-N 2 0 239.407 1.493 20 0 BDADRP C[C@@H](CC[NH2+]CC1CC[NH+](C)CC1)[NH+](C)C ZINC000697908047 987370138 /nfs/dbraw/zinc/37/01/38/987370138.db2.gz GJORFCRRTKFNGI-LBPRGKRZSA-N 2 0 227.396 1.258 20 0 BDADRP CC(C)[C@@H]1C[C@H](NC2CC[NH2+]CC2)CC[NH2+]1 ZINC001246079473 987372801 /nfs/dbraw/zinc/37/28/01/987372801.db2.gz PVJKBOAFSRFKQC-OLZOCXBDSA-N 2 0 225.380 1.105 20 0 BDADRP COC(=O)[C@H]1CCC[C@@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC001246081840 987375058 /nfs/dbraw/zinc/37/50/58/987375058.db2.gz UHGRROWWAMAVNE-CMPLNLGQSA-N 2 0 240.347 1.060 20 0 BDADRP C[C@H]1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[NH2+]1 ZINC001246084675 987379718 /nfs/dbraw/zinc/37/97/18/987379718.db2.gz LSBJOBJPPKAVQR-YHQUGGNUSA-N 2 0 237.391 1.342 20 0 BDADRP CC1([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CCCCC1 ZINC001246083650 987380156 /nfs/dbraw/zinc/38/01/56/987380156.db2.gz VMJGEZACIBNORM-LBPRGKRZSA-N 2 0 237.391 1.393 20 0 BDADRP C[C@H]1CC[C@H]([NH2+][C@@H]2CCCOCC2)CN1 ZINC001246083794 987381760 /nfs/dbraw/zinc/38/17/60/987381760.db2.gz JZQWGZSWKVCCEK-TUAOUCFPSA-N 2 0 212.337 1.286 20 0 BDADRP Cc1cncc(CN[C@H]2CC[NH2+][C@H](C)C2)c1 ZINC001246084347 987382100 /nfs/dbraw/zinc/38/21/00/987382100.db2.gz YOHRQOWEGCPIGN-YPMHNXCESA-N 2 0 219.332 1.620 20 0 BDADRP C[C@@]1(O)CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246085774 987387223 /nfs/dbraw/zinc/38/72/23/987387223.db2.gz AVVODGJRXWBNNK-SQQWKPQLSA-N 2 0 238.375 1.553 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@](C)(O)CC2)CC[NH2+]1 ZINC001246090439 987392400 /nfs/dbraw/zinc/39/24/00/987392400.db2.gz XPKSUJGPKJSMNU-FDYHWXHSSA-N 2 0 226.364 1.410 20 0 BDADRP C[C@@H]1CC[C@@H](CN[C@H]2CC[NH2+]C(C)(C)C2)C[NH2+]1 ZINC001246089812 987392921 /nfs/dbraw/zinc/39/29/21/987392921.db2.gz DWWPRRODVKYHEJ-UPJWGTAASA-N 2 0 239.407 1.495 20 0 BDADRP C[NH2+]CC[C@@H](C)[NH2+]C[C@]1(C)CCC[NH2+]CC1 ZINC001246095215 987405170 /nfs/dbraw/zinc/40/51/70/987405170.db2.gz OURPSTZQYXNEAK-CHWSQXEVSA-N 3 0 227.396 1.354 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+]C2C[C@@H](C)O[C@H](C)C2)C[NH2+]1 ZINC001246095045 987405363 /nfs/dbraw/zinc/40/53/63/987405363.db2.gz JFUYOVXHTGCNLJ-LPWJVIDDSA-N 2 0 240.391 1.920 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+]C2C[C@H](C)O[C@@H](C)C2)C[NH2+]1 ZINC001246095052 987406506 /nfs/dbraw/zinc/40/65/06/987406506.db2.gz JFUYOVXHTGCNLJ-VOAKCMCISA-N 2 0 240.391 1.920 20 0 BDADRP C[C@@H]1CC[C@H](CN[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C[NH2+]1 ZINC001246096929 987409334 /nfs/dbraw/zinc/40/93/34/987409334.db2.gz NQTLJYBKYBTLJR-XHJNMGKDSA-N 2 0 237.391 1.247 20 0 BDADRP COC(=O)CC[C@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001246098138 987412840 /nfs/dbraw/zinc/41/28/40/987412840.db2.gz JGEBHXFABRMSLA-SRVKXCTJSA-N 2 0 242.363 1.163 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](C[NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC001246099092 987415175 /nfs/dbraw/zinc/41/51/75/987415175.db2.gz LMIWZIGWZSCNRM-RWMBFGLXSA-N 2 0 240.391 1.779 20 0 BDADRP CCCC[C@H]1C[C@H](N[C@@H]2CC[NH2+][C@@H]2C)CC[NH2+]1 ZINC001246100481 987417769 /nfs/dbraw/zinc/41/77/69/987417769.db2.gz DZBDDTOBGHXWEZ-XJFOESAGSA-N 2 0 239.407 1.637 20 0 BDADRP C[C@@H]1C[C@@H](NC[C@@]2(C)CCCC[NH2+]C2)C[NH2+]1 ZINC001246099809 987420046 /nfs/dbraw/zinc/42/00/46/987420046.db2.gz MUQDWKMLCDFMNS-UPJWGTAASA-N 2 0 225.380 1.106 20 0 BDADRP CCOCC[C@H](C)[NH2+]C[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246100979 987423431 /nfs/dbraw/zinc/42/34/31/987423431.db2.gz USHNNUGLDRRXHK-RWMBFGLXSA-N 2 0 228.380 1.779 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCO[C@@H](C)C2)C[NH2+]1 ZINC001246104159 987430582 /nfs/dbraw/zinc/43/05/82/987430582.db2.gz ZXIRGZABXZPKCP-MROQNXINSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@@H]1CC[C@H](CN[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)[NH2+]C1 ZINC001246105458 987433442 /nfs/dbraw/zinc/43/34/42/987433442.db2.gz BMYMXJBHQSAZBO-RGDJUOJXSA-N 2 0 237.391 1.247 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1CN[C@@H]1CCC[NH2+]CC1 ZINC001246104957 987434950 /nfs/dbraw/zinc/43/49/50/987434950.db2.gz AGYOFFQQOXFSPJ-RWMBFGLXSA-N 2 0 225.380 1.106 20 0 BDADRP CC(C)(C)[C@@H]1C[C@H](N[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246107522 987436783 /nfs/dbraw/zinc/43/67/83/987436783.db2.gz BYUQPNWRCOJOLQ-UPJWGTAASA-N 2 0 239.407 1.495 20 0 BDADRP C[NH2+]CC[C@H](C)[NH2+]CCCC1CC[NH2+]CC1 ZINC001246106262 987437263 /nfs/dbraw/zinc/43/72/63/987437263.db2.gz OSYJLKBNJDKRHR-LBPRGKRZSA-N 3 0 227.396 1.354 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@H]2CCC3(C[NH2+]C3)C2)[NH2+]C1 ZINC001246107328 987438602 /nfs/dbraw/zinc/43/86/02/987438602.db2.gz FWLDQVQUIJPMEV-FRRDWIJNSA-N 3 0 237.391 1.106 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCSC1 ZINC001246110905 987445253 /nfs/dbraw/zinc/44/52/53/987445253.db2.gz JHNBABZMJOYKQL-GMTAPVOTSA-N 2 0 214.378 1.327 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+][C@@H]1CCCOCC1 ZINC001246110961 987445538 /nfs/dbraw/zinc/44/55/38/987445538.db2.gz NEGMMTPFORROJG-YNEHKIRRSA-N 2 0 226.364 1.533 20 0 BDADRP c1cc2c(cc1C[NH2+]C1CC[NH2+]CC1)CC[NH2+]C2 ZINC001246110730 987446375 /nfs/dbraw/zinc/44/63/75/987446375.db2.gz UZGFJXJHTNFRNF-UHFFFAOYSA-N 3 0 245.370 1.174 20 0 BDADRP CC[C@@H]1C[C@H](NCCC[NH2+]C)C[C@H](CC)[NH2+]1 ZINC001246112734 987449909 /nfs/dbraw/zinc/44/99/09/987449909.db2.gz MQPCDQQAMWDHOQ-ITGUQSILSA-N 2 0 227.396 1.495 20 0 BDADRP CCCC[C@@H]1C[C@H](N[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC001246115824 987456345 /nfs/dbraw/zinc/45/63/45/987456345.db2.gz JJAXGCRBWJQIOM-UPJWGTAASA-N 2 0 225.380 1.249 20 0 BDADRP CCOCC[C@H](C)[NH2+]C[C@H]1C[NH2+]CC[C@@H]1C ZINC001246117759 987460391 /nfs/dbraw/zinc/46/03/91/987460391.db2.gz CUCCYKXNRTVAAC-RWMBFGLXSA-N 2 0 228.380 1.637 20 0 BDADRP CCOC(=O)CC[C@@H](C)N[C@H]1CCC[NH2+]C1 ZINC001246121288 987469792 /nfs/dbraw/zinc/46/97/92/987469792.db2.gz WGDZGJRACOPULO-MNOVXSKESA-N 2 0 228.336 1.060 20 0 BDADRP CC1(N[C@H]2CC[NH2+][C@H](c3ccccc3)C2)C[NH2+]C1 ZINC001246127725 987476327 /nfs/dbraw/zinc/47/63/27/987476327.db2.gz MXFXUYZCVVKRFY-KBPBESRZSA-N 2 0 245.370 1.431 20 0 BDADRP CCCC[C@@H]1C[C@@H](N[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246131513 987481368 /nfs/dbraw/zinc/48/13/68/987481368.db2.gz ZDHMYRXJONHBJC-RDBSUJKOSA-N 2 0 239.407 1.639 20 0 BDADRP C[C@H]1C[C@H](N[C@@]23CCC[C@@H]2[NH2+]CC3)CC[NH2+]1 ZINC001246136508 987493520 /nfs/dbraw/zinc/49/35/20/987493520.db2.gz RYQRYPMMBBCOCL-QNWHQSFQSA-N 2 0 223.364 1.001 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC23CC[NH2+]CC3)CN1 ZINC001246137612 987493339 /nfs/dbraw/zinc/49/33/39/987493339.db2.gz JMKMVQNOKFLQLJ-FRRDWIJNSA-N 2 0 237.391 1.249 20 0 BDADRP C[C@H]1CC([NH2+][C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)C[C@H](C)C1 ZINC001246135779 987494410 /nfs/dbraw/zinc/49/44/10/987494410.db2.gz CLEYYNCKUVHZMG-OMRXRXQOSA-N 2 0 238.375 1.388 20 0 BDADRP CCCC[C@@H]1C[C@H](N[C@]23C[C@H]2C[NH2+]C3)CC[NH2+]1 ZINC001246153366 987511348 /nfs/dbraw/zinc/51/13/48/987511348.db2.gz YGSIYYLUESGBKG-DGAVXFQQSA-N 2 0 237.391 1.249 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+][C@H]2CO[C@@H]3C[NH2+]C[C@H]23)C[C@H]1C ZINC001246151195 987511693 /nfs/dbraw/zinc/51/16/93/987511693.db2.gz ZFZFCYXPTUHIIO-UCKQBZRPSA-N 2 0 238.375 1.388 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC(=O)OC(C)(C)C)CC[NH2+]1 ZINC001246153202 987511776 /nfs/dbraw/zinc/51/17/76/987511776.db2.gz MJAZYYSGNSEKAJ-GHMZBOCLSA-N 2 0 242.363 1.448 20 0 BDADRP C[NH2+]CC[C@H](C)N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001246150792 987513407 /nfs/dbraw/zinc/51/34/07/987513407.db2.gz YJDQRIPDPNWDRK-GXSJLCMTSA-N 2 0 239.388 1.480 20 0 BDADRP CC[NH+](CC)CCCC[NH2+][C@@H]1CC[C@@H](C)NC1 ZINC001246162359 987515965 /nfs/dbraw/zinc/51/59/65/987515965.db2.gz PBYAIOSJCHAUFY-ZIAGYGMSSA-N 2 0 241.423 1.839 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCCC2)CC[NH2+]1 ZINC001246161756 987520024 /nfs/dbraw/zinc/52/00/24/987520024.db2.gz LIEJUDFZZKJMKC-ZIAGYGMSSA-N 3 0 239.407 1.593 20 0 BDADRP CCCC[N@H+](C)CCN[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246169648 987530845 /nfs/dbraw/zinc/53/08/45/987530845.db2.gz IUCSYBTVUNOHHK-CHWSQXEVSA-N 2 0 227.396 1.448 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCCCC[NH+](C)C)CC[NH2+]1 ZINC001246173618 987538899 /nfs/dbraw/zinc/53/88/99/987538899.db2.gz URQDXSIJMGEGMR-OLZOCXBDSA-N 3 0 227.396 1.448 20 0 BDADRP C[C@H]1C[C@@H](Nc2cccc(C[NH3+])c2)CC[NH2+]1 ZINC001246179151 987547897 /nfs/dbraw/zinc/54/78/97/987547897.db2.gz OKDHVCZQTHMVIE-GWCFXTLKSA-N 2 0 219.332 1.698 20 0 BDADRP C([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CC12CC[NH2+]CC2 ZINC001246178711 987548431 /nfs/dbraw/zinc/54/84/31/987548431.db2.gz ONGZLNIFVRAPPM-HABKJSAYSA-N 3 0 249.402 1.249 20 0 BDADRP C([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CC12CC[NH2+]CC2 ZINC001246178714 987549898 /nfs/dbraw/zinc/54/98/98/987549898.db2.gz ONGZLNIFVRAPPM-ICIURTGMSA-N 3 0 249.402 1.249 20 0 BDADRP C([NH2+]C1CCC2(COC2)CC1)[C@H]1CCC[NH2+]1 ZINC001246187516 987565037 /nfs/dbraw/zinc/56/50/37/987565037.db2.gz PEEKDEJUGNBWDH-GFCCVEGCSA-N 2 0 224.348 1.287 20 0 BDADRP C[C@@H]1CC[C@@H](n2ccc3cc(C[NH3+])cnc32)C[NH2+]1 ZINC001246189630 987573242 /nfs/dbraw/zinc/57/32/42/987573242.db2.gz OLIRJUVDLYMRFS-ZWNOBZJWSA-N 2 0 244.342 1.808 20 0 BDADRP CCC[C@@H](O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001473842437 987578367 /nfs/dbraw/zinc/57/83/67/987578367.db2.gz PYASNVDQBLEHQU-UPJWGTAASA-N 2 0 226.364 1.031 20 0 BDADRP CCOC(=O)CC[C@H](C)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC001246196983 987592751 /nfs/dbraw/zinc/59/27/51/987592751.db2.gz JDZUWFKZWZTOLT-RYUDHWBXSA-N 2 0 242.363 1.307 20 0 BDADRP O=C1C[C@H]2C[C@H]([NH2+]C[C@@H]3CCC[NH2+]C3)C[C@H]2C1 ZINC001246199690 987593780 /nfs/dbraw/zinc/59/37/80/987593780.db2.gz NCNNBMCEFZVGBI-NDBYEHHHSA-N 2 0 236.359 1.333 20 0 BDADRP C[C@@H]1CC[C@@H](n2nc(C[NH3+])c3ccccc32)C[NH2+]1 ZINC001246199436 987594682 /nfs/dbraw/zinc/59/46/82/987594682.db2.gz JXCLXNMOTSURJA-GHMZBOCLSA-N 2 0 244.342 1.808 20 0 BDADRP [NH3+]Cc1ccc2nn([C@@H]3CCC[NH2+]C3)cc2c1 ZINC001246199960 987596666 /nfs/dbraw/zinc/59/66/66/987596666.db2.gz ZBLRKHXUKNBLFL-GFCCVEGCSA-N 2 0 230.315 1.420 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CC[C@H]2CC[C@@H]([NH3+])CC2)CN1 ZINC001246201472 987598613 /nfs/dbraw/zinc/59/86/13/987598613.db2.gz HDLNXFHUPQUUAD-MQYQWHSLSA-N 2 0 239.407 1.624 20 0 BDADRP CC[C@@H]1CC([NH2+]CCCC[NH2+]C)C[C@@H](CC)[NH2+]1 ZINC001246204175 987600384 /nfs/dbraw/zinc/60/03/84/987600384.db2.gz PGJUMWLLAVHYRQ-CHWSQXEVSA-N 3 0 241.423 1.885 20 0 BDADRP [NH3+][C@H]1CC[C@@H](CC[NH2+][C@H]2CCCNC2)CC1 ZINC001246201296 987600608 /nfs/dbraw/zinc/60/06/08/987600608.db2.gz GEQRHJMDXIGSBY-XQQFMLRXSA-N 2 0 225.380 1.236 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)C2 ZINC001246206436 987601823 /nfs/dbraw/zinc/60/18/23/987601823.db2.gz OZIIYFKESFVPLC-KSTCHIGDSA-N 2 0 237.391 1.471 20 0 BDADRP C[C@@H]1C[C@H](NCc2cccc(Cl)n2)CC[NH2+]1 ZINC001246207721 987602453 /nfs/dbraw/zinc/60/24/53/987602453.db2.gz FJTLFEJGYHOIMR-NXEZZACHSA-N 2 0 239.750 1.965 20 0 BDADRP CC[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246206172 987603299 /nfs/dbraw/zinc/60/32/99/987603299.db2.gz XXFJKOCBXUDCGJ-FDYHWXHSSA-N 3 0 225.380 1.377 20 0 BDADRP CCC1(N[C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)C[NH2+]C1 ZINC001246226240 987623195 /nfs/dbraw/zinc/62/31/95/987623195.db2.gz BYHMXFFWCVTROL-NWDGAFQWSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@H]1C[C@H](N[C@H](CCO)c2ccccc2)CC[NH2+]1 ZINC001246228062 987626062 /nfs/dbraw/zinc/62/60/62/987626062.db2.gz MLMOBQUBORMILM-NWANDNLSSA-N 2 0 248.370 1.840 20 0 BDADRP CCCC[C@H]1C[C@@H](NC2(CC)C[NH2+]C2)CC[NH2+]1 ZINC001246236192 987634349 /nfs/dbraw/zinc/63/43/49/987634349.db2.gz MXTRVONTAISALL-STQMWFEESA-N 2 0 239.407 1.639 20 0 BDADRP C[C@H]1C[C@@H](n2ncc3c2cccc3C[NH3+])CC[NH2+]1 ZINC001246238699 987638978 /nfs/dbraw/zinc/63/89/78/987638978.db2.gz GDQNJLNJQDEMPM-JQWIXIFHSA-N 2 0 244.342 1.808 20 0 BDADRP C[C@H]1C[C@@H]([N@H+](C)C2CCC([NH3+])CC2)CC[NH2+]1 ZINC001246238728 987639311 /nfs/dbraw/zinc/63/93/11/987639311.db2.gz ZGIIDMFQWOQJOS-WTIISPKJSA-N 3 0 225.380 1.329 20 0 BDADRP C[C@@H]1CC[C@@H](n2ncc3c2cccc3C[NH3+])C[NH2+]1 ZINC001246241142 987643493 /nfs/dbraw/zinc/64/34/93/987643493.db2.gz QLABQQSATUVADK-ZYHUDNBSSA-N 2 0 244.342 1.808 20 0 BDADRP C[C@@H]1C[C@H](NCC[C@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001246244239 987645855 /nfs/dbraw/zinc/64/58/55/987645855.db2.gz LGRCLCQUOUMUNZ-JHJVBQTASA-N 2 0 225.380 1.249 20 0 BDADRP CC(C)(C[NH3+])CN[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246250759 987649408 /nfs/dbraw/zinc/64/94/08/987649408.db2.gz RNWHBZAYPMYZJX-RYUDHWBXSA-N 3 0 241.423 1.728 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)C1CC[NH2+]CC1 ZINC001246254624 987653075 /nfs/dbraw/zinc/65/30/75/987653075.db2.gz ZGABNNYBIKRNHQ-YPMHNXCESA-N 3 0 225.380 1.106 20 0 BDADRP Cc1cnccc1C[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC001474167840 987653502 /nfs/dbraw/zinc/65/35/02/987653502.db2.gz QTGPUCIGUGGGNX-LBPRGKRZSA-N 2 0 242.326 1.760 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C23CCC(O)(CC2)CC3)CC[NH2+]1 ZINC001246262173 987656243 /nfs/dbraw/zinc/65/62/43/987656243.db2.gz APUMJRQIOARDFQ-FEPKRQSRSA-N 2 0 238.375 1.554 20 0 BDADRP CCC[NH2+]CCN[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246268109 987661408 /nfs/dbraw/zinc/66/14/08/987661408.db2.gz HYOIRHZVYJALSP-OLZOCXBDSA-N 2 0 241.423 1.742 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCc2ccccc2O)CC[NH2+]1 ZINC001246267642 987662520 /nfs/dbraw/zinc/66/25/20/987662520.db2.gz VDMIYQUPNUGVPE-AAEUAGOBSA-N 2 0 234.343 1.665 20 0 BDADRP Cc1cc(C[NH2+]C[C@H]2CCCN2C)cc(C)n1 ZINC001474213692 987662835 /nfs/dbraw/zinc/66/28/35/987662835.db2.gz ZBMCBQAZMUZUDP-CQSZACIVSA-N 2 0 233.359 1.882 20 0 BDADRP C[C@H]1CC[C@@H]([NH2+]C[Si](C)(C)C)CN1 ZINC001246270943 987664777 /nfs/dbraw/zinc/66/47/77/987664777.db2.gz XBLMFHQQIBAREY-VHSXEESVSA-N 2 0 200.402 1.594 20 0 BDADRP C[C@@H]1C[C@@H](n2nnc3ccc(C[NH3+])cc32)CC[NH2+]1 ZINC001246276994 987670492 /nfs/dbraw/zinc/67/04/92/987670492.db2.gz FZHXFTNOYTUSQU-KOLCDFICSA-N 2 0 245.330 1.203 20 0 BDADRP CCCC[C@H]1C[C@@H](NCC[NH2+]CC)CC[NH2+]1 ZINC001246275260 987670846 /nfs/dbraw/zinc/67/08/46/987670846.db2.gz QNIBORGOLMZRFN-STQMWFEESA-N 2 0 227.396 1.496 20 0 BDADRP CCCC[C@@H]1C[C@@H](NCC[NH2+]CC)CC[NH2+]1 ZINC001246275258 987670959 /nfs/dbraw/zinc/67/09/59/987670959.db2.gz QNIBORGOLMZRFN-OLZOCXBDSA-N 2 0 227.396 1.496 20 0 BDADRP CC[C@@H]1C[C@@H](N[C@H]2CCC[C@H]2[NH3+])C[C@H](CC)[NH2+]1 ZINC001246279320 987673442 /nfs/dbraw/zinc/67/34/42/987673442.db2.gz MQIIKAYRXCSHRA-ITGHMWBKSA-N 2 0 239.407 1.765 20 0 BDADRP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246283009 987678937 /nfs/dbraw/zinc/67/89/37/987678937.db2.gz YDLHFUPTYDIEFY-DDHJBXDOSA-N 2 0 240.347 1.058 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cc[nH]c(=O)c3)[C@H]2C1 ZINC001474303315 987684227 /nfs/dbraw/zinc/68/42/27/987684227.db2.gz XGCRAMOHIMRFSL-AVGNSLFASA-N 2 0 247.342 1.217 20 0 BDADRP CC(C)C[C@@H]([NH3+])CNC1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246309264 987707275 /nfs/dbraw/zinc/70/72/75/987707275.db2.gz JFCKSJWLHNKXFH-IJLUTSLNSA-N 2 0 227.396 1.478 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC(=O)C2)CC[NH2+]1 ZINC001246308352 987708234 /nfs/dbraw/zinc/70/82/34/987708234.db2.gz PYWYGCUXPFRMAO-MXWKQRLJSA-N 2 0 210.321 1.228 20 0 BDADRP CC(C)C[C@H]([NH3+])CNC1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246309276 987708436 /nfs/dbraw/zinc/70/84/36/987708436.db2.gz JFCKSJWLHNKXFH-SRVKXCTJSA-N 2 0 227.396 1.478 20 0 BDADRP COC(=O)[C@@H]1CCC[C@@H]1N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246311624 987711633 /nfs/dbraw/zinc/71/16/33/987711633.db2.gz QJSXTCRJWFAAJX-QCNOEVLYSA-N 2 0 240.347 1.058 20 0 BDADRP CC[C@@H]([NH3+])CN[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246314009 987715572 /nfs/dbraw/zinc/71/55/72/987715572.db2.gz MIPQUODUAAPLFQ-CHWSQXEVSA-N 2 0 239.407 1.768 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@H]1CCC[C@@H](C(=O)OC)CC1 ZINC001246312751 987717454 /nfs/dbraw/zinc/71/74/54/987717454.db2.gz HOHXIAVWERCLEH-WOPDTQHZSA-N 2 0 242.363 1.435 20 0 BDADRP CC[C@H]([NH3+])CN[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246315757 987721407 /nfs/dbraw/zinc/72/14/07/987721407.db2.gz WBRWKJQECHNHPR-QJPTWQEYSA-N 2 0 227.396 1.480 20 0 BDADRP CC[C@H](C[NH3+])NC1C[C@@H](CC)[NH2+][C@H](CC)C1 ZINC001246317499 987724464 /nfs/dbraw/zinc/72/44/64/987724464.db2.gz MFTKROFMRXLCJF-IJLUTSLNSA-N 2 0 227.396 1.623 20 0 BDADRP C[C@H]1CC[C@H](n2cnc3cccc(C[NH3+])c32)C[NH2+]1 ZINC001246320179 987724677 /nfs/dbraw/zinc/72/46/77/987724677.db2.gz HPORNTKXPMWFPS-JQWIXIFHSA-N 2 0 244.342 1.808 20 0 BDADRP CC[C@@H](C[NH3+])N[C@@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246317501 987726202 /nfs/dbraw/zinc/72/62/02/987726202.db2.gz MFTKROFMRXLCJF-RNJOBUHISA-N 2 0 227.396 1.623 20 0 BDADRP CCCC[C@@H]1C[C@H](NC[C@H](C)C[NH3+])CC[NH2+]1 ZINC001246327379 987730490 /nfs/dbraw/zinc/73/04/90/987730490.db2.gz NCVGNSLBSUWUBG-JHJVBQTASA-N 2 0 227.396 1.482 20 0 BDADRP C[NH2+]Cc1cccc(CN[C@H]2C[NH2+][C@H](C)C2)c1 ZINC001246324250 987732403 /nfs/dbraw/zinc/73/24/03/987732403.db2.gz KDUGDDJSFVPWMF-BXUZGUMPSA-N 2 0 233.359 1.246 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246330747 987739268 /nfs/dbraw/zinc/73/92/68/987739268.db2.gz GBNHEDJAKGVLLE-YNEHKIRRSA-N 2 0 227.396 1.336 20 0 BDADRP CC[C@H]1C[C@@H](N[C@@H]2CCC[NH2+][C@@H]2C)CC[NH2+]1 ZINC001246332063 987740086 /nfs/dbraw/zinc/74/00/86/987740086.db2.gz PIPHHBQFWNDUEK-MROQNXINSA-N 2 0 225.380 1.247 20 0 BDADRP C1[C@@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C12CCCCC2 ZINC001246336627 987744799 /nfs/dbraw/zinc/74/47/99/987744799.db2.gz UZISYCIVFARGJP-QWHCGFSZSA-N 2 0 249.402 1.393 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC2CCC(O)CC2)CC[NH2+]1 ZINC001246336603 987746798 /nfs/dbraw/zinc/74/67/98/987746798.db2.gz PRQUSJAVRUQCHJ-NELGMTEASA-N 2 0 240.391 1.658 20 0 BDADRP C[C@@H]1C[C@H](N[C@@]23CC[C@@]([NH3+])(C2)CCC3)C[NH2+]1 ZINC001246338820 987748096 /nfs/dbraw/zinc/74/80/96/987748096.db2.gz GUAABXSQPGQXAL-XQHKEYJVSA-N 2 0 223.364 1.131 20 0 BDADRP OCCCCCCCC[NH2+]C1CC[NH2+]CC1 ZINC001246340293 987749292 /nfs/dbraw/zinc/74/92/92/987749292.db2.gz HHGPZYBYVHVXNE-UHFFFAOYSA-N 2 0 228.380 1.661 20 0 BDADRP C[C@H]1C[C@H](NCC[NH+]2CCC(F)CC2)CC[NH2+]1 ZINC001246338678 987750031 /nfs/dbraw/zinc/75/00/31/987750031.db2.gz ADKBBGGCLPABHL-WCQYABFASA-N 2 0 243.370 1.150 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCN2CCC[C@@H](F)C2)CC[NH2+]1 ZINC001246344437 987753123 /nfs/dbraw/zinc/75/31/23/987753123.db2.gz ZEIUNICLYBOTRZ-JHJVBQTASA-N 2 0 243.370 1.150 20 0 BDADRP CC1([NH2+][C@@H]2CCCNC2)Cc2ccccc2C1 ZINC001246349403 987757055 /nfs/dbraw/zinc/75/70/55/987757055.db2.gz KQQATRLYNGVUNF-CQSZACIVSA-N 2 0 230.355 1.886 20 0 BDADRP Nc1cccc(CCC[NH2+]C2CC[NH2+]CC2)c1 ZINC001246350025 987758897 /nfs/dbraw/zinc/75/88/97/987758897.db2.gz LALOFMRKRKCCDP-UHFFFAOYSA-N 2 0 233.359 1.543 20 0 BDADRP CC(C)(C)[C@H]1C[C@@H](NC2(C[NH3+])CCC2)CC[NH2+]1 ZINC001246356745 987762861 /nfs/dbraw/zinc/76/28/61/987762861.db2.gz QGSVIYRVMKRIJF-NWDGAFQWSA-N 2 0 239.407 1.624 20 0 BDADRP CCOC(=O)[C@@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246357075 987763802 /nfs/dbraw/zinc/76/38/02/987763802.db2.gz VOFZNYSADJTJOJ-WSMDXJOWSA-N 2 0 240.347 1.058 20 0 BDADRP CC[C@@H]1CC(N2C=C(N)C=CC2)C[C@@H](CC)[NH2+]1 ZINC001246356004 987765253 /nfs/dbraw/zinc/76/52/53/987765253.db2.gz RIKSHQQUOLEZRX-CHWSQXEVSA-N 2 0 235.375 1.968 20 0 BDADRP CC[C@@H]1C[C@@H](NC2(C[NH3+])CCC2)C[C@H](CC)[NH2+]1 ZINC001246358004 987768543 /nfs/dbraw/zinc/76/85/43/987768543.db2.gz XYFNFJXOBFBDLM-CLLJXQQHSA-N 2 0 239.407 1.767 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246360698 987769393 /nfs/dbraw/zinc/76/93/93/987769393.db2.gz IBIQNHJPSCHCFG-XQQFMLRXSA-N 2 0 225.380 1.199 20 0 BDADRP C[C@@H]1CC[C@H](Nc2cccc(CC[NH3+])c2)C[NH2+]1 ZINC001246367156 987772888 /nfs/dbraw/zinc/77/28/88/987772888.db2.gz RZSSGFCSLSDUIT-RISCZKNCSA-N 2 0 233.359 1.740 20 0 BDADRP CO[C@@H](C)C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC001474648365 987773538 /nfs/dbraw/zinc/77/35/38/987773538.db2.gz YJMYZDKNWIHWIJ-LBPRGKRZSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1CC[C@H](N[C@H]2CC[NH2+]CC2(C)C)C[NH2+]1 ZINC001246375444 987774774 /nfs/dbraw/zinc/77/47/74/987774774.db2.gz ZRPDJJOSFGOPQA-WOPDTQHZSA-N 2 0 225.380 1.105 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]1N[C@@H]1CCCC[NH2+]C1 ZINC001246372841 987774851 /nfs/dbraw/zinc/77/48/51/987774851.db2.gz NLZWKIONBUNDPH-NEPJUHHUSA-N 2 0 225.380 1.106 20 0 BDADRP Nc1ccc([C@H](CCO)[NH2+]C2CC[NH2+]CC2)cc1 ZINC001246372800 987775062 /nfs/dbraw/zinc/77/50/62/987775062.db2.gz MNJLFHIRHVRBKZ-AWEZNQCLSA-N 2 0 249.358 1.034 20 0 BDADRP CC(C)CC1([NH2+]C2CC[NH2+]CC2)CCOCC1 ZINC001246401658 987783176 /nfs/dbraw/zinc/78/31/76/987783176.db2.gz IJYNNGAFYDKIFY-UHFFFAOYSA-N 2 0 240.391 1.923 20 0 BDADRP CC1(C)CCC[C@@H]([NH2+]CCNCC[NH3+])C1 ZINC001246402826 987784779 /nfs/dbraw/zinc/78/47/79/987784779.db2.gz BPDGNWRIZNXTFT-LLVKDONJSA-N 2 0 213.369 1.093 20 0 BDADRP [NH3+]CCNCC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC001246407217 987786021 /nfs/dbraw/zinc/78/60/21/987786021.db2.gz XISWJBPVQCHULP-CABCVRRESA-N 2 0 247.386 1.461 20 0 BDADRP CCc1ccc(C[C@@H](C)[NH2+]CCNCC[NH3+])cc1 ZINC001246405370 987787215 /nfs/dbraw/zinc/78/72/15/987787215.db2.gz NYKITWUSSMCLJY-CYBMUJFWSA-N 2 0 249.402 1.318 20 0 BDADRP CCCCC[C@@H](CCC)[NH2+]CCNCC[NH3+] ZINC001246403215 987787886 /nfs/dbraw/zinc/78/78/86/987787886.db2.gz CVWWFQIAEVERCJ-CYBMUJFWSA-N 2 0 229.412 1.873 20 0 BDADRP C[C@@H]1CCC[C@H]([NH2+]CCCC[C@H]([NH3+])C(N)=O)C1 ZINC001246412372 987790682 /nfs/dbraw/zinc/79/06/82/987790682.db2.gz CCLYATWGFWPCKV-WOPDTQHZSA-N 2 0 241.379 1.138 20 0 BDADRP FC1(F)CCC([NH2+][C@H]2CC23C[NH2+]C3)CC1 ZINC001246444680 987791668 /nfs/dbraw/zinc/79/16/68/987791668.db2.gz KOYYXXZQFAGDRF-VIFPVBQESA-N 2 0 216.275 1.516 20 0 BDADRP CCC1(C[NH2+][C@@H](C)CC[NH2+]C)CC[NH2+]CC1 ZINC001246423143 987795240 /nfs/dbraw/zinc/79/52/40/987795240.db2.gz OGCYKPLGNMEBND-LBPRGKRZSA-N 3 0 227.396 1.354 20 0 BDADRP CCC1(C[NH2+][C@@H]2C[NH2+][C@@H](C)C2)CC[NH2+]CC1 ZINC001246423898 987796922 /nfs/dbraw/zinc/79/69/22/987796922.db2.gz RRVQYRKGWRXCMM-RYUDHWBXSA-N 3 0 225.380 1.106 20 0 BDADRP C([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C1(CC2CC2)CC1 ZINC001246433571 987797958 /nfs/dbraw/zinc/79/79/58/987797958.db2.gz RGXHGYYOBDQRLG-CYBMUJFWSA-N 2 0 249.402 1.250 20 0 BDADRP C1[C@H](N[C@H]2CC[NH2+]C3(CCCCC3)C2)C12C[NH2+]C2 ZINC001246441844 987799500 /nfs/dbraw/zinc/79/95/00/987799500.db2.gz AFOBXXUCJREQLO-STQMWFEESA-N 2 0 249.402 1.393 20 0 BDADRP CC1(C)[C@@H]2C[C@H]([NH2+][C@@H]3CC34C[NH2+]C4)C[C@@H]21 ZINC001246445507 987803179 /nfs/dbraw/zinc/80/31/79/987803179.db2.gz OTJHOJDTJHGIGB-LMLFDSFASA-N 2 0 206.333 1.373 20 0 BDADRP CC(C)(C)[C@@H]1C[C@@H](N[C@H]2CC23C[NH2+]C3)CC[NH2+]1 ZINC001246443165 987803374 /nfs/dbraw/zinc/80/33/74/987803374.db2.gz GFSOQACXSQKQFE-SRVKXCTJSA-N 2 0 237.391 1.105 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCCNC2)C1 ZINC001246446297 987806304 /nfs/dbraw/zinc/80/63/04/987806304.db2.gz BYYSLMGSINPATM-FRRDWIJNSA-N 2 0 225.380 1.093 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C2(Cc3cccnc3)CC2)CC[NH2+]1 ZINC001246447727 987806969 /nfs/dbraw/zinc/80/69/69/987806969.db2.gz QVBFWWDGNCLBRL-TZMCWYRMSA-N 2 0 245.370 1.887 20 0 BDADRP CC(C)[NH2+]CCN[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246454481 987808432 /nfs/dbraw/zinc/80/84/32/987808432.db2.gz UNRNEVHKYXBTPG-QWHCGFSZSA-N 2 0 241.423 1.741 20 0 BDADRP CCC[C@@]1(CN[C@@H]2CC[NH2+][C@H](CC)C2)CC[NH2+]1 ZINC001246454582 987809332 /nfs/dbraw/zinc/80/93/32/987809332.db2.gz CLFACPLKSMXXLN-MCIONIFRSA-N 2 0 239.407 1.639 20 0 BDADRP CCC[C@@]1(CN[C@@H]2CC[NH2+][C@H](C)C2)CC[NH2+]1 ZINC001246454185 987810061 /nfs/dbraw/zinc/81/00/61/987810061.db2.gz AFFXGNARWIGVTH-UPJWGTAASA-N 2 0 225.380 1.249 20 0 BDADRP CC[C@@H]1CC[C@H]([NH2+]CCC[NH2+]CCCC[NH3+])C1 ZINC001246455499 987812304 /nfs/dbraw/zinc/81/23/04/987812304.db2.gz GBAFGRBXJTVMTD-KGLIPLIRSA-N 3 0 241.423 1.873 20 0 BDADRP CC(C)[NH2+]CC[NH2+][C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246455551 987812421 /nfs/dbraw/zinc/81/24/21/987812421.db2.gz XOWHAMHGNHADCE-UONOGXRCSA-N 3 0 239.407 1.496 20 0 BDADRP C1=CO[C@@H](C[NH2+]C[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001474735463 987812940 /nfs/dbraw/zinc/81/29/40/987812940.db2.gz PMKXLMDTNRQCTH-ZIAGYGMSSA-N 2 0 236.359 1.611 20 0 BDADRP CC[C@@]1(CN[C@H]2CC[C@H](C)[NH2+]C2)CCC[NH2+]1 ZINC001246458140 987815423 /nfs/dbraw/zinc/81/54/23/987815423.db2.gz WSIMJLVOPMNEQE-AVGNSLFASA-N 2 0 225.380 1.249 20 0 BDADRP [NH3+]CCCNCCC[NH2+]C1CCC2(CC2)CC1 ZINC001246457718 987816569 /nfs/dbraw/zinc/81/65/69/987816569.db2.gz QTRKHHHUHGSJHT-UHFFFAOYSA-N 2 0 239.407 1.627 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCc2cccc(N)c2)CC[NH2+]1 ZINC001246465793 987826161 /nfs/dbraw/zinc/82/61/61/987826161.db2.gz LWKRNMVQCRFXIS-SMDDNHRTSA-N 2 0 233.359 1.541 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CNc3ccccc32)CC[NH2+]1 ZINC001246473961 987830943 /nfs/dbraw/zinc/83/09/43/987830943.db2.gz LVNSLLKIEGINQL-AGIUHOORSA-N 2 0 245.370 1.926 20 0 BDADRP c1cc(C[NH2+]C2CC[NH2+]CC2)cc2c1CCN2 ZINC001246474467 987831180 /nfs/dbraw/zinc/83/11/80/987831180.db2.gz PPQVFRUESSYHJL-UHFFFAOYSA-N 2 0 231.343 1.496 20 0 BDADRP C1CC12C[NH2+]CC[C@@H]2NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246473766 987832678 /nfs/dbraw/zinc/83/26/78/987832678.db2.gz NHJVTQUOIQYCCJ-HNGCFSAESA-N 2 0 235.375 1.001 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)CC[NH2+]1 ZINC001246475972 987834825 /nfs/dbraw/zinc/83/48/25/987834825.db2.gz IKIWYUYPWPUASS-RNJOBUHISA-N 3 0 243.370 1.054 20 0 BDADRP CC[NH+]1CCC(N[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC001246477678 987834989 /nfs/dbraw/zinc/83/49/89/987834989.db2.gz IXQBLFLMLYWRKE-OLZOCXBDSA-N 2 0 225.380 1.330 20 0 BDADRP C[C@@H](Cc1ccccn1)[NH2+][C@H]1CCCC[C@H]1[NH3+] ZINC001246479391 987837475 /nfs/dbraw/zinc/83/74/75/987837475.db2.gz UWVZHAYJLZKZMG-YUTCNCBUSA-N 2 0 233.359 1.872 20 0 BDADRP CC1(C)C[C@H]([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)CCO1 ZINC001246478979 987838726 /nfs/dbraw/zinc/83/87/26/987838726.db2.gz ZWSLMTGEWQVQNJ-TUAOUCFPSA-N 2 0 244.354 1.481 20 0 BDADRP CC(C)[NH+]1CCC(N[C@@H]2C[NH2+]CC[C@@H]2F)CC1 ZINC001246483920 987840138 /nfs/dbraw/zinc/84/01/38/987840138.db2.gz UUJYYOPSIJWNCF-QWHCGFSZSA-N 2 0 243.370 1.149 20 0 BDADRP CCC[NH+]1CCC(N[C@@H]2C[NH2+]CC[C@H]2F)CC1 ZINC001246492390 987846687 /nfs/dbraw/zinc/84/66/87/987846687.db2.gz WRLJYOLOMIKEGA-CHWSQXEVSA-N 2 0 243.370 1.150 20 0 BDADRP CCCC[C@H]1C[C@@H](N[C@H]2C[C@@H]([NH2+]C)C2)CC[NH2+]1 ZINC001246498820 987854113 /nfs/dbraw/zinc/85/41/13/987854113.db2.gz YXKLNAGWAAYGQZ-XDQVBPFNSA-N 2 0 239.407 1.637 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001246497342 987854187 /nfs/dbraw/zinc/85/41/87/987854187.db2.gz LJYPODUODSRVDH-JHJVBQTASA-N 2 0 245.386 1.396 20 0 BDADRP CC1(C)CC(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246503108 987855944 /nfs/dbraw/zinc/85/59/44/987855944.db2.gz XYLPIKZCHLLWOI-LBPRGKRZSA-N 2 0 237.391 1.106 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C2(C3CC[NH2+]CC3)CC2)CN1 ZINC001246501711 987856776 /nfs/dbraw/zinc/85/67/76/987856776.db2.gz CCYAZBQQDHXSKY-YPMHNXCESA-N 2 0 237.391 1.249 20 0 BDADRP CC1(C)CC(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246503107 987857530 /nfs/dbraw/zinc/85/75/30/987857530.db2.gz XYLPIKZCHLLWOI-GFCCVEGCSA-N 2 0 237.391 1.106 20 0 BDADRP COc1cccc([C@H](C[NH3+])N[C@H]2CCC[NH2+]C2)c1 ZINC001246507322 987861893 /nfs/dbraw/zinc/86/18/93/987861893.db2.gz ASVVFGCMSNONIF-JSGCOSHPSA-N 2 0 249.358 1.037 20 0 BDADRP CC[N@@H+]1CC[C@@H](N[C@H](C[NH3+])c2ccccc2)C1 ZINC001246507304 987862104 /nfs/dbraw/zinc/86/21/04/987862104.db2.gz NASGJZNNVDGDGF-ZIAGYGMSSA-N 2 0 233.359 1.370 20 0 BDADRP CC[N@@H+]1CC[C@H](N[C@H](C[NH3+])c2ccccc2)C1 ZINC001246507302 987863413 /nfs/dbraw/zinc/86/34/13/987863413.db2.gz NASGJZNNVDGDGF-UONOGXRCSA-N 2 0 233.359 1.370 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](N[C@@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC001246511490 987863763 /nfs/dbraw/zinc/86/37/63/987863763.db2.gz BWEMTUNHMZKQRN-MGPQQGTHSA-N 2 0 239.407 1.447 20 0 BDADRP CC[C@H]1CC(N(C)CC[NH3+])C[C@H](CC)[NH2+]1 ZINC001246523455 987873275 /nfs/dbraw/zinc/87/32/75/987873275.db2.gz GBECCVJEQHBZNW-QWRGUYRKSA-N 2 0 213.369 1.186 20 0 BDADRP CCCC[C@@H]1C[C@H](N(C)CC[NH2+]C)CC[NH2+]1 ZINC001246524821 987875147 /nfs/dbraw/zinc/87/51/47/987875147.db2.gz SJEKMMYGWBKGTM-CHWSQXEVSA-N 2 0 227.396 1.448 20 0 BDADRP C1C[NH2+]C[C@H](N2CC[C@H]3OCCC[C@@H]3C2)C1 ZINC001246524526 987876293 /nfs/dbraw/zinc/87/62/93/987876293.db2.gz GIEPHFQGXATFSD-JHJVBQTASA-N 2 0 224.348 1.239 20 0 BDADRP CC[C@@H](C)OCC[C@H](C)N1CCC[NH2+]CC1 ZINC001246524365 987876304 /nfs/dbraw/zinc/87/63/04/987876304.db2.gz ITDBGDFKXKRRJR-QWHCGFSZSA-N 2 0 228.380 1.875 20 0 BDADRP C[NH2+]CCN(C)[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246525554 987879490 /nfs/dbraw/zinc/87/94/90/987879490.db2.gz YOSMYFXJKYDUCU-QWHCGFSZSA-N 2 0 225.380 1.060 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[NH2+]CC1 ZINC001246526543 987880103 /nfs/dbraw/zinc/88/01/03/987880103.db2.gz YXHJMEPLUKTXHD-CQSZACIVSA-N 3 0 241.423 1.792 20 0 BDADRP COC(=O)CCCC[C@@H](C)[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001246530582 987884999 /nfs/dbraw/zinc/88/49/99/987884999.db2.gz NCURHWXPLZUDSM-YPMHNXCESA-N 2 0 242.363 1.531 20 0 BDADRP CCC[N@H+](CCOC)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246530925 987885266 /nfs/dbraw/zinc/88/52/66/987885266.db2.gz QKQLHFKBUFGZPQ-NWDGAFQWSA-N 2 0 214.353 1.485 20 0 BDADRP C[C@H](Cc1ccncc1)N1CC[C@](C)([NH3+])C1 ZINC001246529519 987886178 /nfs/dbraw/zinc/88/61/78/987886178.db2.gz KVZREFNISSOBBG-YPMHNXCESA-N 2 0 219.332 1.436 20 0 BDADRP CCCC[C@H]1C[C@@H](N2CCC[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246533448 987889076 /nfs/dbraw/zinc/88/90/76/987889076.db2.gz CZJZWBORHDHWIM-IHRRRGAJSA-N 2 0 239.407 1.720 20 0 BDADRP C1CC2(C1)CCC[C@H]2[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246532522 987890116 /nfs/dbraw/zinc/89/01/16/987890116.db2.gz RIDGTEZYFUXRMR-CHWSQXEVSA-N 2 0 249.402 1.393 20 0 BDADRP CC1(C)[C@@H]2C[C@@H]([N@@H+]3CC[C@](C)([NH3+])C3)C[C@@H]21 ZINC001246532807 987891041 /nfs/dbraw/zinc/89/10/41/987891041.db2.gz YJBSGXRRLURASC-KQXIARHKSA-N 2 0 208.349 1.844 20 0 BDADRP [NH3+]CC1CC[NH+](C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001246537728 987896765 /nfs/dbraw/zinc/89/67/65/987896765.db2.gz KLZVPOBFEOZVIH-YHWZYXNKSA-N 2 0 222.332 1.143 20 0 BDADRP CC[C@@H]1C[C@@H](N2CCC[C@](C)([NH3+])C2)CC[NH2+]1 ZINC001246538649 987897792 /nfs/dbraw/zinc/89/77/92/987897792.db2.gz IKZRVUGSTVSMNC-AGIUHOORSA-N 2 0 225.380 1.330 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N2CCC[C@@](C)([NH3+])C2)CC[NH2+]1 ZINC001246537861 987897828 /nfs/dbraw/zinc/89/78/28/987897828.db2.gz DLULPEUKZNHSER-MELADBBJSA-N 2 0 239.407 1.576 20 0 BDADRP C[C@H]1CC[C@@H](C[NH3+])N1[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246539164 987897921 /nfs/dbraw/zinc/89/79/21/987897921.db2.gz BTBSCFFPNJJONO-AVGNSLFASA-N 2 0 237.391 1.473 20 0 BDADRP C[C@H](Cc1ccco1)[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246538514 987899074 /nfs/dbraw/zinc/89/90/74/987899074.db2.gz CIEOOUZRMLZRJF-QJPTWQEYSA-N 2 0 222.332 1.737 20 0 BDADRP C[C@H]1C[N@@H+]([C@@H]2CCSC2)C[C@H]1C[NH3+] ZINC001246538081 987899745 /nfs/dbraw/zinc/89/97/45/987899745.db2.gz ALOYROOFEURBRE-IVZWLZJFSA-N 2 0 200.351 1.019 20 0 BDADRP [NH3+]CC1CC[NH+](C2CCC3(COC3)CC2)CC1 ZINC001246538805 987899759 /nfs/dbraw/zinc/89/97/59/987899759.db2.gz PWXUANGFCGIOHH-UHFFFAOYSA-N 2 0 238.375 1.616 20 0 BDADRP CCCC[C@@H]1C[C@H](N2CC[C@@H]([NH3+])[C@H]2C)CC[NH2+]1 ZINC001246541397 987914440 /nfs/dbraw/zinc/91/44/40/987914440.db2.gz HJIRELMTUONQFK-AAVRWANBSA-N 2 0 239.407 1.719 20 0 BDADRP [NH3+]C[C@]1(F)CCCN([C@H]2CCCC[NH2+]C2)CC1 ZINC001246549807 987935719 /nfs/dbraw/zinc/93/57/19/987935719.db2.gz NRECYQKKTUHXDV-STQMWFEESA-N 2 0 243.370 1.281 20 0 BDADRP CCSC[C@H](C)[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246549862 987938673 /nfs/dbraw/zinc/93/86/73/987938673.db2.gz INZXIRUYDNIPRV-RYUDHWBXSA-N 2 0 246.420 1.304 20 0 BDADRP CC[C@@H]1C[C@H](N2CCC[C@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246548054 987938850 /nfs/dbraw/zinc/93/88/50/987938850.db2.gz FGPPGNMBUGNAQT-MCIONIFRSA-N 2 0 239.407 1.720 20 0 BDADRP C[C@@H]1CC(N2CC[C@@H](C)[C@@H](C[NH3+])C2)C[C@@H](C)[NH2+]1 ZINC001246549690 987939822 /nfs/dbraw/zinc/93/98/22/987939822.db2.gz HQHALNSEQRGOFV-LPWJVIDDSA-N 2 0 239.407 1.432 20 0 BDADRP C[C@@H]1CCN([C@@H]2CC[NH2+]C(C)(C)C2)C[C@@H]1C[NH3+] ZINC001246550921 987946389 /nfs/dbraw/zinc/94/63/89/987946389.db2.gz KYAMTXCVUVNEKK-FRRDWIJNSA-N 3 0 239.407 1.434 20 0 BDADRP [NH3+]C[C@@]1(F)CCC[N@@H+]([C@@H]2CCC[NH2+]CC2)CC1 ZINC001246552946 987950124 /nfs/dbraw/zinc/95/01/24/987950124.db2.gz WLRZJHXSTBGJDS-CHWSQXEVSA-N 3 0 243.370 1.281 20 0 BDADRP C[C@@H]1C[C@H](N2CC[C@@H](C)[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC001246554697 987957299 /nfs/dbraw/zinc/95/72/99/987957299.db2.gz XHFZIFVNYFAUKL-FVCCEPFGSA-N 2 0 225.380 1.044 20 0 BDADRP C[C@@]1([NH3+])CCCN([C@H]2CCCC[NH2+]C2)CC1 ZINC001246553464 987959161 /nfs/dbraw/zinc/95/91/61/987959161.db2.gz SLXIQTIZSBYQKV-QWHCGFSZSA-N 2 0 225.380 1.332 20 0 BDADRP [NH3+]C[C@@]1(F)CCC[N@@H+]([C@H]2CCCOC2)CC1 ZINC001246553569 987959167 /nfs/dbraw/zinc/95/91/67/987959167.db2.gz ZEXXAMVPMMSAAX-NWDGAFQWSA-N 2 0 230.327 1.318 20 0 BDADRP C[C@@H]1CC[N@@H+]([C@@H]2CCC[NH2+]CC2)CC[C@@H]1C[NH3+] ZINC001246554555 987960193 /nfs/dbraw/zinc/96/01/93/987960193.db2.gz BGUQEASIYFSETN-MGPQQGTHSA-N 3 0 239.407 1.435 20 0 BDADRP C[C@@H]1CC[N@@H+](C2CC[NH2+]CC2)CC[C@H]1C[NH3+] ZINC001246553960 987960523 /nfs/dbraw/zinc/96/05/23/987960523.db2.gz ALZIPVXPWIIPRF-NEPJUHHUSA-N 3 0 225.380 1.045 20 0 BDADRP COC[C@H](C)[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246553459 987960780 /nfs/dbraw/zinc/96/07/80/987960780.db2.gz SJPZZPIPAWNCTD-WDEREUQCSA-N 2 0 200.326 1.225 20 0 BDADRP C[C@@H]1CC[C@H](C[NH3+])N([C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC001246555009 987961651 /nfs/dbraw/zinc/96/16/51/987961651.db2.gz FXCPZYOEWHNMNS-FDYHWXHSSA-N 2 0 225.380 1.186 20 0 BDADRP C[C@]1([NH3+])CCC[N@@H+](C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001246553402 987961680 /nfs/dbraw/zinc/96/16/80/987961680.db2.gz RMXIEQAFUNZVFT-GSPSYOTPSA-N 2 0 236.359 1.676 20 0 BDADRP C[C@@H]1C[C@@H](N2CC[C@@H](C)[C@H](C[NH3+])C2)CC[NH2+]1 ZINC001246554698 987962459 /nfs/dbraw/zinc/96/24/59/987962459.db2.gz XHFZIFVNYFAUKL-LPWJVIDDSA-N 2 0 225.380 1.044 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+]Cc1ccc(OC)cc1 ZINC001117953172 987966921 /nfs/dbraw/zinc/96/69/21/987966921.db2.gz BTPWDXMAYHMJJC-LLVKDONJSA-N 2 0 222.332 1.783 20 0 BDADRP CCC[C@@H](CC)[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246556734 987967254 /nfs/dbraw/zinc/96/72/54/987967254.db2.gz FYRPZBBGMFTWRX-CHWSQXEVSA-N 2 0 228.380 1.741 20 0 BDADRP C[C@H]1C[C@H]([N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)CCO1 ZINC001246555365 987968841 /nfs/dbraw/zinc/96/88/41/987968841.db2.gz DUEHSHMGSRWCKP-ZOBORPQBSA-N 2 0 240.391 1.861 20 0 BDADRP C[C@@H]1C[C@H](N2CC[C@@H](C)[C@@H](C[NH3+])CC2)C[NH2+]1 ZINC001246558658 987972569 /nfs/dbraw/zinc/97/25/69/987972569.db2.gz NZRXUYRTUXLMKH-LPWJVIDDSA-N 2 0 225.380 1.044 20 0 BDADRP C[C@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@H]1O ZINC001246557615 987974249 /nfs/dbraw/zinc/97/42/49/987974249.db2.gz NDTDZJKNAJRIFM-BEUHCMRWSA-N 2 0 238.375 1.362 20 0 BDADRP C[C@@H]1C[C@H](N2CC[C@@H](C)[C@H](C[NH3+])CC2)C[NH2+]1 ZINC001246558823 987986045 /nfs/dbraw/zinc/98/60/45/987986045.db2.gz NZRXUYRTUXLMKH-NDBYEHHHSA-N 2 0 225.380 1.044 20 0 BDADRP CC(C)C[C@@H](C)C[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246560803 987992343 /nfs/dbraw/zinc/99/23/43/987992343.db2.gz TZLWQVWAMNNEHK-XJFOESAGSA-N 2 0 242.407 1.841 20 0 BDADRP C[C@H]1C[C@@H]([N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)CCO1 ZINC001246563268 988002512 /nfs/dbraw/zinc/00/25/12/988002512.db2.gz PTRAUMDBKGXJLQ-RFGFWPKPSA-N 2 0 240.391 1.861 20 0 BDADRP C[C@H]1C[C@@H]([N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)CCO1 ZINC001246563269 988005834 /nfs/dbraw/zinc/00/58/34/988005834.db2.gz PTRAUMDBKGXJLQ-RQJABVFESA-N 2 0 240.391 1.861 20 0 BDADRP C[C@@H]1C[C@@H](N2CCC[C@@H](C[NH3+])[C@H]2C)CC[NH2+]1 ZINC001246564362 988018577 /nfs/dbraw/zinc/01/85/77/988018577.db2.gz NBMJRJWIRBNIRX-NDBYEHHHSA-N 3 0 225.380 1.186 20 0 BDADRP C[C@@H]1C[C@H](N2CCC[C@@H](C[NH3+])[C@H]2C)CC[NH2+]1 ZINC001246564359 988022127 /nfs/dbraw/zinc/02/21/27/988022127.db2.gz NBMJRJWIRBNIRX-FVCCEPFGSA-N 3 0 225.380 1.186 20 0 BDADRP CSCC[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001246569271 988034570 /nfs/dbraw/zinc/03/45/70/988034570.db2.gz OREFZCZKUUXOKV-VWYCJHECSA-N 2 0 216.394 1.797 20 0 BDADRP CC(C)C[NH2+][C@H](C)CCNC(=O)CC[NH+](C)C ZINC001480790462 988037326 /nfs/dbraw/zinc/03/73/26/988037326.db2.gz OYYZFXWPPGHPJZ-GFCCVEGCSA-N 2 0 243.395 1.079 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2C[C@H]([NH3+])C[C@@H](F)C2)CC[NH2+]1 ZINC001246574734 988067180 /nfs/dbraw/zinc/06/71/80/988067180.db2.gz KJNYYUJOGUQFCF-LPWJVIDDSA-N 2 0 243.370 1.134 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2CC[NH2+]C[C@@H](C)C2)CC[NH2+]1 ZINC001246573537 988069991 /nfs/dbraw/zinc/06/99/91/988069991.db2.gz RULHGLOBRSRYTB-MCIONIFRSA-N 2 0 239.407 1.304 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N2CCC[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC001246573551 988071184 /nfs/dbraw/zinc/07/11/84/988071184.db2.gz SDYAVIYNVISVSI-IHRRRGAJSA-N 2 0 239.407 1.447 20 0 BDADRP Cc1ccc(C[C@@H](C)[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001246579609 988099246 /nfs/dbraw/zinc/09/92/46/988099246.db2.gz KAKONXQDCYMRHB-SNPRPXQTSA-N 2 0 248.370 1.177 20 0 BDADRP [NH3+]C[C@@H]1CCCC[N@@H+]([C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC001246582931 988123304 /nfs/dbraw/zinc/12/33/04/988123304.db2.gz PEWYGZUSMMTXEM-RVMXOQNASA-N 2 0 208.349 1.846 20 0 BDADRP CCCCC[C@@H](CC)[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246584499 988134873 /nfs/dbraw/zinc/13/48/73/988134873.db2.gz NHCKIKKIRRWEGH-XQQFMLRXSA-N 2 0 228.380 1.597 20 0 BDADRP C[C@@]1(C[NH3+])CCCCN([C@H]2CCC[NH2+]C2)C1 ZINC001246584524 988135725 /nfs/dbraw/zinc/13/57/25/988135725.db2.gz NHYHETMDWAXSOX-STQMWFEESA-N 2 0 225.380 1.189 20 0 BDADRP C[NH+]1CCC(N2CCCC[C@@](F)(C[NH3+])C2)CC1 ZINC001246584668 988136284 /nfs/dbraw/zinc/13/62/84/988136284.db2.gz YFXHRZAMDNHFGK-CYBMUJFWSA-N 2 0 243.370 1.234 20 0 BDADRP CC(C)C[NH2+]Cc1nc([C@H]2CCC[NH2+]2)no1 ZINC001118237981 988142694 /nfs/dbraw/zinc/14/26/94/988142694.db2.gz SCZMJPMGNRTQPH-SECBINFHSA-N 2 0 224.308 1.240 20 0 BDADRP CC(C)[C@H]1C[C@H](N2CCCC[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246587729 988145613 /nfs/dbraw/zinc/14/56/13/988145613.db2.gz UAWDZVGJYHNNQG-BFHYXJOUSA-N 2 0 239.407 1.576 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CC(C)(C)C[C@@]2(C)CO)CC[NH2+]1 ZINC001246588097 988161079 /nfs/dbraw/zinc/16/10/79/988161079.db2.gz JHEFWSRSBLQCKY-BZPMIXESSA-N 2 0 240.391 1.610 20 0 BDADRP CC(C)COCC[C@@H](C)[NH+]1CC(C)(C[NH3+])C1 ZINC001246591565 988162769 /nfs/dbraw/zinc/16/27/69/988162769.db2.gz WIQUFXDOBSFFHD-GFCCVEGCSA-N 2 0 228.380 1.718 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH+]2CC(C)(C[NH3+])C2)C1 ZINC001246591769 988175648 /nfs/dbraw/zinc/17/56/48/988175648.db2.gz XPAJQOMSYLLTAD-GHMZBOCLSA-N 2 0 212.337 1.225 20 0 BDADRP [NH3+]C[C@@H]1CCCC[N@@H+]([C@@H]2CCC3(C[NH2+]C3)C2)C1 ZINC001246593437 988179619 /nfs/dbraw/zinc/17/96/19/988179619.db2.gz NDVQYXUNTBPJQT-QWHCGFSZSA-N 3 0 237.391 1.189 20 0 BDADRP [NH3+]C[C@H]1CCCC[N@@H+]([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC001246593747 988187614 /nfs/dbraw/zinc/18/76/14/988187614.db2.gz NTHQSXJJANKBBB-YIYPIFLZSA-N 3 0 237.391 1.045 20 0 BDADRP C[C@H]1CC[C@@H](N2CCC3(CC([NH3+])C3)CC2)C[NH2+]1 ZINC001246600782 988211295 /nfs/dbraw/zinc/21/12/95/988211295.db2.gz IFYIBCURKFGZBX-WCQYABFASA-N 2 0 237.391 1.330 20 0 BDADRP CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]C(C)C ZINC001495132991 988217764 /nfs/dbraw/zinc/21/77/64/988217764.db2.gz BRPHDJLHYOLTIE-LBPRGKRZSA-N 2 0 243.395 1.219 20 0 BDADRP C[NH2+]CC[C@H](C)N1CCC[C@]12CCC[NH2+]C2 ZINC001246605774 988218876 /nfs/dbraw/zinc/21/88/76/988218876.db2.gz CXPXUCLHLLSLGM-STQMWFEESA-N 2 0 225.380 1.202 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@]23CCC[NH2+]C3)CCO1 ZINC001246609702 988222947 /nfs/dbraw/zinc/22/29/47/988222947.db2.gz MSMAHNJHACJBHL-RDBSUJKOSA-N 2 0 238.375 1.772 20 0 BDADRP C[C@H]1C[C@@H]([N@@H+]2CCC[C@]23CCC[NH2+]C3)CCO1 ZINC001246609692 988224116 /nfs/dbraw/zinc/22/41/16/988224116.db2.gz MSMAHNJHACJBHL-IHRRRGAJSA-N 2 0 238.375 1.772 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH+]2CCC(F)(C[NH3+])CC2)CC1 ZINC001246624906 988280754 /nfs/dbraw/zinc/28/07/54/988280754.db2.gz GPOXMRSGEIVUFB-LBPRGKRZSA-N 3 0 243.370 1.234 20 0 BDADRP [NH3+]CC1(F)CC[NH+](C2Cc3ccccc3C2)CC1 ZINC001246625977 988286538 /nfs/dbraw/zinc/28/65/38/988286538.db2.gz ISQVPBNGQWKXOW-UHFFFAOYSA-N 2 0 248.345 1.917 20 0 BDADRP CC[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CCO1 ZINC001246629702 988311826 /nfs/dbraw/zinc/31/18/26/988311826.db2.gz FZABYFZXUGTVPB-FVCCEPFGSA-N 2 0 224.348 1.380 20 0 BDADRP CC(C)CC[C@@H](C)[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246642964 988349039 /nfs/dbraw/zinc/34/90/39/988349039.db2.gz NQUBCXVLGLEJDH-KGLIPLIRSA-N 2 0 239.407 1.448 20 0 BDADRP C[NH2+]CC[C@@H](C)N1CCCC[C@@]12CC[NH2+]C2 ZINC001246642351 988350021 /nfs/dbraw/zinc/35/00/21/988350021.db2.gz IRNKOUVIPWCPBX-OLZOCXBDSA-N 2 0 225.380 1.202 20 0 BDADRP CC[C@@H](CC(C)C)[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246643110 988358230 /nfs/dbraw/zinc/35/82/30/988358230.db2.gz OBIDBUDVHOYNNP-KBPBESRZSA-N 2 0 239.407 1.448 20 0 BDADRP C1C[C@@]2(C[NH2+]1)CCCC[N@@H+]2[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246645660 988363171 /nfs/dbraw/zinc/36/31/71/988363171.db2.gz CWZURFDCLXYQHN-LXTVHRRPSA-N 3 0 249.402 1.202 20 0 BDADRP C1C[NH2+]C[C@@H](N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246645813 988366649 /nfs/dbraw/zinc/36/66/49/988366649.db2.gz VRCMPFSKHOLBKA-ZDUSSCGKSA-N 2 0 237.391 1.204 20 0 BDADRP C1C[C@]2(C[NH2+]1)CCCCN2[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246650279 988370043 /nfs/dbraw/zinc/37/00/43/988370043.db2.gz SNEMQRUYZDPFSW-YJNKXOJESA-N 2 0 249.402 1.487 20 0 BDADRP CC[C@@H]1C[C@@H](N2C[C@H]3CCC[NH2+][C@H]3C2)CC[NH2+]1 ZINC001246655262 988380831 /nfs/dbraw/zinc/38/08/31/988380831.db2.gz GZOYPQGPNUKZBL-MQYQWHSLSA-N 2 0 237.391 1.201 20 0 BDADRP C[C@H]1CNCC[N@@H+]1C1CCC2(CC[NH2+]C2)CC1 ZINC001246676330 988420044 /nfs/dbraw/zinc/42/00/44/988420044.db2.gz ZDYFMVKMXRXTTI-HSBZDZAISA-N 2 0 237.391 1.202 20 0 BDADRP C[C@H]1C[C@H]([NH+]2CCC(C3C[NH2+]C3)CC2)CC[NH2+]1 ZINC001246679509 988425102 /nfs/dbraw/zinc/42/51/02/988425102.db2.gz PXXRZKABZVIIMG-SMDDNHRTSA-N 3 0 237.391 1.058 20 0 BDADRP C[N@H+](CCC[NH3+])C1CCC2(CCC[NH2+]C2)CC1 ZINC001246677971 988425921 /nfs/dbraw/zinc/42/59/21/988425921.db2.gz BCWUZWUEMBLQFF-UHFFFAOYSA-N 3 0 239.407 1.579 20 0 BDADRP CC[C@@H]1C[C@H](N(C)[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246680026 988428971 /nfs/dbraw/zinc/42/89/71/988428971.db2.gz SCRRDJVSFVFGCL-UPJWGTAASA-N 2 0 225.380 1.201 20 0 BDADRP CC(C)[C@@H]1CN([C@H]2CC[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC001246688666 988434487 /nfs/dbraw/zinc/43/44/87/988434487.db2.gz WFYNLXFNFHXOJJ-AVGNSLFASA-N 2 0 225.380 1.057 20 0 BDADRP CC(C)[C@@H]1C[NH2+]CCN1[C@H]1CCC[NH2+]CC1 ZINC001246692096 988435272 /nfs/dbraw/zinc/43/52/72/988435272.db2.gz FVPJWBQCPGSDRQ-STQMWFEESA-N 2 0 225.380 1.058 20 0 BDADRP CC[C@H]1C[C@H](N2C[C@H](C)[NH2+]C[C@H]2C)CC[NH2+]1 ZINC001246690957 988435345 /nfs/dbraw/zinc/43/53/45/988435345.db2.gz ONAMAWVCFWITQD-QNWHQSFQSA-N 2 0 225.380 1.199 20 0 BDADRP CC(C)[C@@H]1CN([C@H]2CC[NH2+]C(C)(C)C2)CC[NH2+]1 ZINC001246689087 988436274 /nfs/dbraw/zinc/43/62/74/988436274.db2.gz XWRXKRCFKCZITH-STQMWFEESA-N 2 0 239.407 1.447 20 0 BDADRP CO[C@H]1CCC[C@@H]2C[N@@H+]([C@@H]3CCC[NH2+]C3)C[C@@H]21 ZINC001246761728 988452925 /nfs/dbraw/zinc/45/29/25/988452925.db2.gz WJFVIIRJRJLRKT-MQYQWHSLSA-N 2 0 238.375 1.485 20 0 BDADRP C[C@H]1C[C@H]([N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CC[NH2+]1 ZINC001246768668 988453502 /nfs/dbraw/zinc/45/35/02/988453502.db2.gz GASNYFMBGSQHJV-HHHUOAJASA-N 2 0 212.312 1.559 20 0 BDADRP CO[C@H]1CCC[C@@H]2C[N@@H+]([C@H]3CCC[NH2+]C3)C[C@@H]21 ZINC001246761730 988456277 /nfs/dbraw/zinc/45/62/77/988456277.db2.gz WJFVIIRJRJLRKT-RFGFWPKPSA-N 2 0 238.375 1.485 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CC[NH2+]1 ZINC001246768670 988456491 /nfs/dbraw/zinc/45/64/91/988456491.db2.gz GASNYFMBGSQHJV-WTPMCQDGSA-N 2 0 212.312 1.559 20 0 BDADRP C[NH2+]CC1CC[NH+]([C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246783134 988460152 /nfs/dbraw/zinc/46/01/52/988460152.db2.gz WLPBFYVQPUMGPI-WCQYABFASA-N 3 0 225.380 1.058 20 0 BDADRP C[C@@H]1CCC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)[C@H]1C ZINC001246792853 988466939 /nfs/dbraw/zinc/46/69/39/988466939.db2.gz YCNNJAIQJBYUOD-AGIUHOORSA-N 2 0 237.391 1.201 20 0 BDADRP CCCC[C@@H]1C[C@@H](N(C)[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC001246803938 988484676 /nfs/dbraw/zinc/48/46/76/988484676.db2.gz NYBPJJFTCGWWHE-HZSPNIEDSA-N 2 0 239.407 1.591 20 0 BDADRP CC[C@H]1C[NH2+]CCN1[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246803117 988484874 /nfs/dbraw/zinc/48/48/74/988484874.db2.gz LTBFGHIPTALWHR-RNJOBUHISA-N 2 0 225.380 1.199 20 0 BDADRP CC[C@H]1CNCC[N@@H+]1C1CCC2(C[NH2+]C2)CC1 ZINC001246804494 988485805 /nfs/dbraw/zinc/48/58/05/988485805.db2.gz PYESTYKMJSSLOE-LBPRGKRZSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@@H]1CC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)[C@@H](C)C1 ZINC001246810493 988490752 /nfs/dbraw/zinc/49/07/52/988490752.db2.gz NRUJNTYWPQJYMT-AGIUHOORSA-N 2 0 237.391 1.201 20 0 BDADRP CC1(C)C[NH2+]CCN1[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246812406 988495482 /nfs/dbraw/zinc/49/54/82/988495482.db2.gz ZXRUDWGHHIJUPA-LBPRGKRZSA-N 2 0 237.391 1.345 20 0 BDADRP C[NH2+][C@@H]1CCN([C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)C1 ZINC001246815876 988501890 /nfs/dbraw/zinc/50/18/90/988501890.db2.gz YPTHNPJWJKHXLC-UPJWGTAASA-N 2 0 239.407 1.447 20 0 BDADRP C[C@@H]1CC[C@@H](n2ccnc2[C@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001246848815 988561178 /nfs/dbraw/zinc/56/11/78/988561178.db2.gz OJJGNWSPOOVCHM-FRRDWIJNSA-N 2 0 248.374 1.663 20 0 BDADRP CC1(C)CC[C@H]([N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)C1 ZINC001246849671 988566824 /nfs/dbraw/zinc/56/68/24/988566824.db2.gz AMKGETCEQBQFPP-GMXVVIOVSA-N 2 0 208.349 1.988 20 0 BDADRP CC1(C)[C@@H]2C[C@@H]([N@@H+]3C[C@H]4CC[C@@]4([NH3+])C3)C[C@@H]21 ZINC001246851804 988571095 /nfs/dbraw/zinc/57/10/95/988571095.db2.gz HPWQBYIUZYMOPW-MPLKPFFPSA-N 2 0 220.360 1.844 20 0 BDADRP CCN([C@@H]1CCC[NH2+]C1)[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246853154 988571598 /nfs/dbraw/zinc/57/15/98/988571598.db2.gz HFNMZHWYEQWERR-XJFOESAGSA-N 2 0 239.407 1.589 20 0 BDADRP CCN([C@@H]1CCC[NH2+]C1)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246852823 988573142 /nfs/dbraw/zinc/57/31/42/988573142.db2.gz GVIQYRRUFPGQFA-YNEHKIRRSA-N 2 0 225.380 1.201 20 0 BDADRP CC[C@H]1C[NH2+]CCN1C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246857206 988579541 /nfs/dbraw/zinc/57/95/41/988579541.db2.gz LTBFGHIPTALWHR-SRVKXCTJSA-N 2 0 225.380 1.199 20 0 BDADRP CC(C)[NH+]1CCC(N2C[C@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001246859305 988587247 /nfs/dbraw/zinc/58/72/47/988587247.db2.gz JKIAMDVISFTESC-TZMCWYRMSA-N 2 0 237.391 1.282 20 0 BDADRP C[C@H]1C[C@H]([N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)CC[NH2+]1 ZINC001246858369 988592710 /nfs/dbraw/zinc/59/27/10/988592710.db2.gz GASNYFMBGSQHJV-SVNGYHJRSA-N 2 0 212.312 1.559 20 0 BDADRP CC(C)[NH+]1CCC(N2C[C@H]3CC[C@]3([NH3+])C2)CC1 ZINC001246859303 988593373 /nfs/dbraw/zinc/59/33/73/988593373.db2.gz JKIAMDVISFTESC-OCCSQVGLSA-N 2 0 237.391 1.282 20 0 BDADRP COC1CCC([N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)CC1 ZINC001246859328 988593535 /nfs/dbraw/zinc/59/35/35/988593535.db2.gz JUOLIAMKOGSWDZ-WTIISPKJSA-N 2 0 224.348 1.367 20 0 BDADRP CC(C)CC[C@H](C)[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246861961 988597857 /nfs/dbraw/zinc/59/78/57/988597857.db2.gz SJZQSROMPPMZJM-ICIURTGMSA-N 2 0 240.391 1.717 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001246861400 988599422 /nfs/dbraw/zinc/59/94/22/988599422.db2.gz PEKZVIGNTFRFQB-MELADBBJSA-N 2 0 239.407 1.530 20 0 BDADRP CC[C@H](CC(C)C)[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246860889 988601603 /nfs/dbraw/zinc/60/16/03/988601603.db2.gz ONUVRYSAPVTFEL-RBKKPWLPSA-N 2 0 240.391 1.717 20 0 BDADRP [NH3+][C@]12CC[C@@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC001246864163 988609177 /nfs/dbraw/zinc/60/91/77/988609177.db2.gz UOZZDIHPYSOAHC-HIFRSBDPSA-N 2 0 228.339 1.577 20 0 BDADRP CCN(CC[NH2+]C)[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246891131 988658435 /nfs/dbraw/zinc/65/84/35/988658435.db2.gz NBWAXRQZPWAIHF-ZSBIGDGJSA-N 2 0 213.369 1.057 20 0 BDADRP CCC[C@H]1CN([C@H]2CC[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC001246901190 988669023 /nfs/dbraw/zinc/66/90/23/988669023.db2.gz CEGHCZQFMUIOGC-AVGNSLFASA-N 2 0 225.380 1.201 20 0 BDADRP CCC[C@H]1CN([C@@H]2CC[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC001246901370 988669060 /nfs/dbraw/zinc/66/90/60/988669060.db2.gz CEGHCZQFMUIOGC-RWMBFGLXSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H]1CC[C@@H](N(C)[C@]2(C)CCC[NH2+]C2)C[NH2+]1 ZINC001246907349 988676859 /nfs/dbraw/zinc/67/68/59/988676859.db2.gz FKCZMCCPNBGTKB-JHJVBQTASA-N 2 0 225.380 1.201 20 0 BDADRP CCCC[C@@H]1C[C@H](N2CC[C@@H]2[NH2+]C)CC[NH2+]1 ZINC001246901916 988676881 /nfs/dbraw/zinc/67/68/81/988676881.db2.gz FOJLRPSBRZPSQR-JHJVBQTASA-N 2 0 225.380 1.548 20 0 BDADRP CC(C)[N@H+](C)[C@H]1CCN([C@@H]2CCC[NH2+]C2)C1 ZINC001246910918 988693496 /nfs/dbraw/zinc/69/34/96/988693496.db2.gz LQUBVAMKZRDWBR-OLZOCXBDSA-N 2 0 225.380 1.153 20 0 BDADRP C[C@@H]1C[C@H](N(C)[C@]2(C)CCC[NH2+]C2)CC[NH2+]1 ZINC001246913572 988699592 /nfs/dbraw/zinc/69/95/92/988699592.db2.gz RCCIQNUFONUSKN-JHJVBQTASA-N 2 0 225.380 1.201 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N1C[C@H]2C[NH2+]C[C@H]21 ZINC001246915588 988702030 /nfs/dbraw/zinc/70/20/30/988702030.db2.gz GXJALRZKGKIXTC-YNEHKIRRSA-N 2 0 225.380 1.010 20 0 BDADRP C[C@H]1C[C@@H]([N@H+](C)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246914128 988704707 /nfs/dbraw/zinc/70/47/07/988704707.db2.gz ZGIIDMFQWOQJOS-CYDGBPFRSA-N 3 0 225.380 1.329 20 0 BDADRP C[C@H]([NH3+])CN1CC[C@@H]2CSC[C@H]2C1 ZINC001118932740 988716535 /nfs/dbraw/zinc/71/65/35/988716535.db2.gz CHCKVXWYROSWQG-IVZWLZJFSA-N 2 0 200.351 1.019 20 0 BDADRP CCCC[C@@H]1CN(C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246920597 988726481 /nfs/dbraw/zinc/72/64/81/988726481.db2.gz HTDLFBXERMAQDA-GFCCVEGCSA-N 2 0 225.380 1.202 20 0 BDADRP C[C@@H]1C[C@@H](n2ccc3c2CC[NH2+]C3)CC[NH2+]1 ZINC001246920048 988732194 /nfs/dbraw/zinc/73/21/94/988732194.db2.gz ITJWCMBNTHAVHO-PWSUYJOCSA-N 2 0 219.332 1.447 20 0 BDADRP C[C@H]1CC[C@H](n2ccc3c2CC[NH2+]C3)C[NH2+]1 ZINC001246928473 988746986 /nfs/dbraw/zinc/74/69/86/988746986.db2.gz ZZHSUKUNDBNVJU-JQWIXIFHSA-N 2 0 219.332 1.447 20 0 BDADRP C1[C@@H]2CC[NH2+]CC[C@@H]2C[N@H+]1[C@H]1CCCC[NH2+]C1 ZINC001246928742 988747168 /nfs/dbraw/zinc/74/71/68/988747168.db2.gz BWFVBENMKAVRLQ-MJBXVCDLSA-N 3 0 237.391 1.060 20 0 BDADRP C1[NH2+][C@@H]2C[N@@H+](C3CCC4(CC[NH2+]CC4)CC3)C[C@H]12 ZINC001246924872 988750736 /nfs/dbraw/zinc/75/07/36/988750736.db2.gz NGQAZGBOQDMQQZ-GXTWGEPZSA-N 3 0 249.402 1.202 20 0 BDADRP c1cn(C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2c1C[NH2+]CC2 ZINC001246924514 988753581 /nfs/dbraw/zinc/75/35/81/988753581.db2.gz MWFUCQHCWAERRB-FUNVUKJBSA-N 2 0 231.343 1.589 20 0 BDADRP CCCN([C@H]1CC[NH2+]C1)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246932550 988762964 /nfs/dbraw/zinc/76/29/64/988762964.db2.gz BISHBPVQOPKONW-AVGNSLFASA-N 2 0 225.380 1.201 20 0 BDADRP CCCN([C@H]1CC[NH2+]C1)[C@H]1CCCC[NH2+]C1 ZINC001246940161 988774299 /nfs/dbraw/zinc/77/42/99/988774299.db2.gz IGGIEZDEZHNLOM-STQMWFEESA-N 2 0 225.380 1.202 20 0 BDADRP C1CC2(C[C@@H]1[N@@H+]1C[C@@H]3CC[C@H]1CN3)CC[NH2+]CC2 ZINC001246941836 988774979 /nfs/dbraw/zinc/77/49/79/988774979.db2.gz CGJVGOFWZWVZLZ-MJBXVCDLSA-N 2 0 249.402 1.345 20 0 BDADRP CCN(C[C@H]1CC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246944126 988780837 /nfs/dbraw/zinc/78/08/37/988780837.db2.gz UEMRPLGGUDBNDB-ICIURTGMSA-N 2 0 237.391 1.201 20 0 BDADRP C[NH2+]CCN([C@H]1CC[C@H](C)[NH2+]C1)C(C)(C)C ZINC001246949858 988783138 /nfs/dbraw/zinc/78/31/38/988783138.db2.gz RAGWIOOLUAEMBY-RYUDHWBXSA-N 2 0 227.396 1.447 20 0 BDADRP CC(C)N(C1CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC001246956088 988784292 /nfs/dbraw/zinc/78/42/92/988784292.db2.gz VPDLWHKPMRONAS-CYBMUJFWSA-N 2 0 225.380 1.201 20 0 BDADRP CC(C)N([C@@H]1CC[NH2+]C1)[C@H]1CCCC[NH2+]C1 ZINC001246960897 988794104 /nfs/dbraw/zinc/79/41/04/988794104.db2.gz PFPNSMITRRKZGG-QWHCGFSZSA-N 2 0 225.380 1.201 20 0 BDADRP CC(C)N([C@H]1CC[NH2+]C1)[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246970227 988801394 /nfs/dbraw/zinc/80/13/94/988801394.db2.gz YGCQTSNTFBKZRI-OLZOCXBDSA-N 2 0 239.407 1.589 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N(C)C[C@H](C)[NH3+])CC[NH2+]1 ZINC001246979495 988808579 /nfs/dbraw/zinc/80/85/79/988808579.db2.gz BJUYQYBWRHRUMR-SRVKXCTJSA-N 2 0 213.369 1.042 20 0 BDADRP c1ccc(C[C@H]2C[C@H](N3CC[NH2+]C3)CC[NH2+]2)cc1 ZINC001246989737 988821872 /nfs/dbraw/zinc/82/18/72/988821872.db2.gz GXNBFIFRQPCZOY-LSDHHAIUSA-N 2 0 245.370 1.212 20 0 BDADRP CCCC[C@H]1C[C@@H](N2CC[NH2+]C2)CC[NH2+]1 ZINC001246993519 988825606 /nfs/dbraw/zinc/82/56/06/988825606.db2.gz NVMSQSGGCVTCQM-RYUDHWBXSA-N 2 0 211.353 1.160 20 0 BDADRP O=C1CCC[C@H]2C[N@@H+](C3CC[NH2+]CC3)C[C@@H]12 ZINC001247005637 988837151 /nfs/dbraw/zinc/83/71/51/988837151.db2.gz QUQSOLVXQVMFKS-CMPLNLGQSA-N 2 0 222.332 1.039 20 0 BDADRP COC1(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)CCC1 ZINC001119245510 988863247 /nfs/dbraw/zinc/86/32/47/988863247.db2.gz RABZUTNZOAHPDA-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP CN(C)c1ncc(C[NH2+]CCC(C)(C)[NH3+])s1 ZINC001119544825 989150833 /nfs/dbraw/zinc/15/08/33/989150833.db2.gz SRMPHYZBFOFPPT-UHFFFAOYSA-N 2 0 242.392 1.426 20 0 BDADRP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)CCCC[NH3+] ZINC001325756454 989244389 /nfs/dbraw/zinc/24/43/89/989244389.db2.gz UYSUJLFRDZQAJJ-QWRGUYRKSA-N 3 0 201.358 1.092 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@@H](C)CCCOC ZINC001326037128 989338478 /nfs/dbraw/zinc/33/84/78/989338478.db2.gz VYFIFCPVVYESFY-MNOVXSKESA-N 2 0 202.342 1.389 20 0 BDADRP C[NH2+][C@@H](C)CC[NH2+][C@H](Cn1cccn1)C(C)C ZINC001326037481 989338968 /nfs/dbraw/zinc/33/89/68/989338968.db2.gz WWKGXPYYARBWOO-QWHCGFSZSA-N 2 0 238.379 1.495 20 0 BDADRP CC(C)[C@@H](N)c1nc([C@H](N)c2ccccc2)no1 ZINC001326204514 989425986 /nfs/dbraw/zinc/42/59/86/989425986.db2.gz SGYVXVFFWINUPJ-GHMZBOCLSA-N 2 0 246.314 1.774 20 0 BDADRP CC(C)C[NH2+]CC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC001326309169 989484533 /nfs/dbraw/zinc/48/45/33/989484533.db2.gz IBLFGRCRHFYPAB-LBPRGKRZSA-N 2 0 243.395 1.064 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)C[NH2+]CC(C)C)c1 ZINC001326556480 989604963 /nfs/dbraw/zinc/60/49/63/989604963.db2.gz KSSBZFHNAFYWRD-UHFFFAOYSA-N 2 0 249.358 1.590 20 0 BDADRP CC[C@]1(C(=O)N[C@H](C)CCCC[NH3+])CC[NH2+]C1 ZINC001326780825 989703766 /nfs/dbraw/zinc/70/37/66/989703766.db2.gz OMEXYGOAWOZTFH-YPMHNXCESA-N 2 0 241.379 1.010 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccccc1C[NH3+] ZINC001523617915 989941507 /nfs/dbraw/zinc/94/15/07/989941507.db2.gz YFXLOECYIKFNQH-RYUDHWBXSA-N 2 0 247.342 1.472 20 0 BDADRP CC(C)C[C@@H]([NH3+])C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001122137064 990252321 /nfs/dbraw/zinc/25/23/21/990252321.db2.gz JRGCIQYXLPZCFX-GFCCVEGCSA-N 2 0 247.342 1.602 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)NCC[C@@H](C)[NH+](C)C ZINC001122138441 990256443 /nfs/dbraw/zinc/25/64/43/990256443.db2.gz LASHNCNDHHWIJE-NEPJUHHUSA-N 2 0 243.395 1.206 20 0 BDADRP CC[C@@H](C)C[C@H]([NH3+])C(=O)N(CC[NH2+]C)C(C)C ZINC001122174269 990277913 /nfs/dbraw/zinc/27/79/13/990277913.db2.gz TZBNKHXTFIGBNF-NEPJUHHUSA-N 2 0 243.395 1.206 20 0 BDADRP CCOC(=O)CCC[C@@H](C)[N@H+](C)C[C@H](C)C[NH3+] ZINC001258113461 991023504 /nfs/dbraw/zinc/02/35/04/991023504.db2.gz WCUIQJNZOGPIHO-VXGBXAGGSA-N 2 0 244.379 1.635 20 0 BDADRP C[C@@]1(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCCCO1 ZINC001308611990 991060145 /nfs/dbraw/zinc/06/01/45/991060145.db2.gz UEOSHFNQVXJUOV-XQQFMLRXSA-N 2 0 224.348 1.097 20 0 BDADRP [NH3+]C[C@@H](O)C[NH2+]C1CCCCCCC1 ZINC001258232185 991169033 /nfs/dbraw/zinc/16/90/33/991169033.db2.gz BFEYWCNLSOFSRK-LLVKDONJSA-N 2 0 200.326 1.009 20 0 BDADRP CCC1(C[NH+]2CCC([NH+](C)C)CC2)COC1 ZINC001202913034 991210896 /nfs/dbraw/zinc/21/08/96/991210896.db2.gz YNDGVNXMMJHMHX-UHFFFAOYSA-N 2 0 226.364 1.439 20 0 BDADRP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001308984298 991250006 /nfs/dbraw/zinc/25/00/06/991250006.db2.gz MMNFMNHPRAGAFL-NAWOPXAZSA-N 2 0 208.349 1.715 20 0 BDADRP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001308984304 991252940 /nfs/dbraw/zinc/25/29/40/991252940.db2.gz MMNFMNHPRAGAFL-RXGFPQBGSA-N 2 0 208.349 1.715 20 0 BDADRP CCC1(C[NH+]2CC3(C2)CC[NH+](C)CC3)COC1 ZINC001202964422 991339833 /nfs/dbraw/zinc/33/98/33/991339833.db2.gz LMZLTNIFLAPHLZ-UHFFFAOYSA-N 2 0 238.375 1.441 20 0 BDADRP CO[C@@H]1CC[C@H]([N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C1 ZINC001560055496 991369268 /nfs/dbraw/zinc/36/92/68/991369268.db2.gz BVHLQKKKNZAMSU-ZOBORPQBSA-N 2 0 238.375 1.437 20 0 BDADRP C[C@@H](CC1CC1)[NH+]1CCN(CCC[NH3+])CC1 ZINC001258452158 991404290 /nfs/dbraw/zinc/40/42/90/991404290.db2.gz ZITJHNAWCABFLW-LBPRGKRZSA-N 2 0 225.380 1.141 20 0 BDADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CC[C@H](O)C2)CC1 ZINC000353985954 991431116 /nfs/dbraw/zinc/43/11/16/991431116.db2.gz FQBSZLSFRMUYDW-STQMWFEESA-N 2 0 240.391 1.752 20 0 BDADRP C[C@@H](Cc1cccnc1)[NH2+]CCCC[NH3+] ZINC001258613372 991536900 /nfs/dbraw/zinc/53/69/00/991536900.db2.gz OUAGCTFBQHNLQM-NSHDSACASA-N 2 0 207.321 1.341 20 0 BDADRP C[C@H](Cc1cccnc1)[N@@H+](C)C[C@@H](C)C[NH3+] ZINC001258615196 991542305 /nfs/dbraw/zinc/54/23/05/991542305.db2.gz FCVAAWNYXHIBAB-NWDGAFQWSA-N 2 0 221.348 1.539 20 0 BDADRP CCCCC[C@@H](CCC)[NH2+]C[C@H](O)C[NH3+] ZINC001258661518 991564629 /nfs/dbraw/zinc/56/46/29/991564629.db2.gz GOVKQQCZPDBGMK-VXGBXAGGSA-N 2 0 216.369 1.645 20 0 BDADRP CCC[C@H](Cc1ccccc1)[NH2+]C[C@H](O)C[NH3+] ZINC001258649438 991581588 /nfs/dbraw/zinc/58/15/88/991581588.db2.gz HIYCQAGUHFGCRD-ZIAGYGMSSA-N 2 0 236.359 1.307 20 0 BDADRP Cc1cnn(C)c1C[NH2+]C[C@@H]1C[NH+]2CCC1CC2 ZINC001561034238 991695949 /nfs/dbraw/zinc/69/59/49/991695949.db2.gz KXZULENCEFPVSG-CYBMUJFWSA-N 2 0 248.374 1.160 20 0 BDADRP CCCC[C@@H](CCC)[NH+]1CCN(CC[NH3+])CC1 ZINC001258754977 991697633 /nfs/dbraw/zinc/69/76/33/991697633.db2.gz ARIMISAAMRAKKX-CQSZACIVSA-N 2 0 241.423 1.922 20 0 BDADRP CCC[NH+]1CCC(n2ccc(C[NH3+])cc2=N)CC1 ZINC001258766282 991726228 /nfs/dbraw/zinc/72/62/28/991726228.db2.gz QCGXSVBSRWXTJM-UHFFFAOYSA-N 2 0 248.374 1.473 20 0 BDADRP CC[C@H](C)C[C@H](CC)[NH2+]C[C@H](O)C[NH3+] ZINC001258779098 991743814 /nfs/dbraw/zinc/74/38/14/991743814.db2.gz SKBNZEHCZLEIND-GARJFASQSA-N 2 0 202.342 1.110 20 0 BDADRP CC[C@@H](C)C[C@@H](CC)[NH2+]CCOCC[NH3+] ZINC001258780101 991749657 /nfs/dbraw/zinc/74/96/57/991749657.db2.gz KQNHTUTUJXBDAA-VXGBXAGGSA-N 2 0 216.369 1.766 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C1(C)COC1 ZINC001258898011 991892867 /nfs/dbraw/zinc/89/28/67/991892867.db2.gz FDKDFMRWIDQWHL-LBPRGKRZSA-N 2 0 228.380 1.875 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@H]1CN ZINC001258899015 991893813 /nfs/dbraw/zinc/89/38/13/991893813.db2.gz BANGSNQCKCSGQS-KGLIPLIRSA-N 2 0 241.423 1.920 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1(CO)CC1 ZINC001258899455 991894520 /nfs/dbraw/zinc/89/45/20/991894520.db2.gz MPZYIQDOOHOWGK-GFCCVEGCSA-N 2 0 228.380 1.611 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CC(C)(CO)C1 ZINC001258907357 991899064 /nfs/dbraw/zinc/89/90/64/991899064.db2.gz JKFYERHWPXCHEA-ZDUSSCGKSA-N 2 0 242.407 1.811 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@H](O)C1 ZINC001258907841 991900824 /nfs/dbraw/zinc/90/08/24/991900824.db2.gz NIGDOLYNJJUFIC-QWHCGFSZSA-N 2 0 228.380 1.564 20 0 BDADRP CC[N@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+]C(C)C ZINC001568308924 992159848 /nfs/dbraw/zinc/15/98/48/992159848.db2.gz HYACVEHSWOUJDW-LBPRGKRZSA-N 2 0 243.395 1.173 20 0 BDADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+]CC(C)C ZINC001569028169 992270554 /nfs/dbraw/zinc/27/05/54/992270554.db2.gz HUVYMVXQVKRHSL-GFCCVEGCSA-N 2 0 243.395 1.079 20 0 BDADRP CC[C@@H]1C[C@@H](C[NH2+]CC[C@@H](C)[NH2+]C)CCO1 ZINC001261370778 992280829 /nfs/dbraw/zinc/28/08/29/992280829.db2.gz UOUSVVGMYCHXMP-FRRDWIJNSA-N 2 0 228.380 1.779 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC001261424595 992295751 /nfs/dbraw/zinc/29/57/51/992295751.db2.gz YOYPVKCFINRBME-LMLFDSFASA-N 2 0 200.326 1.140 20 0 BDADRP [NH3+]CCCCCC[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC001261515358 992361078 /nfs/dbraw/zinc/36/10/78/992361078.db2.gz FGZSOKWMNDQUQJ-PBWFPOADSA-N 2 0 240.391 1.598 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)C1C[NH2+]C1 ZINC001261661188 992454439 /nfs/dbraw/zinc/45/44/39/992454439.db2.gz ITPMXZXLICVWCD-IANFPDNMSA-N 2 0 230.302 1.618 20 0 BDADRP CC(C)(C[NH2+]C1CC[NH2+]CC1)C1=CCOCC1 ZINC001573481793 992614692 /nfs/dbraw/zinc/61/46/92/992614692.db2.gz FLPAPPPVCMCDOB-UHFFFAOYSA-N 2 0 238.375 1.701 20 0 BDADRP CC(C)([NH3+])CCNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC001262043071 992628782 /nfs/dbraw/zinc/62/87/82/992628782.db2.gz GVCMIHDCXBFEEL-GFCCVEGCSA-N 2 0 249.358 1.320 20 0 BDADRP CCOC1CC(C[N@@H+]2CCC23CC[NH2+]CC3)C1 ZINC001573795486 992713861 /nfs/dbraw/zinc/71/38/61/992713861.db2.gz ITHWPBGFSKTSHF-UHFFFAOYSA-N 2 0 238.375 1.629 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cccc3c[nH]nc32)C1 ZINC001262487785 992892534 /nfs/dbraw/zinc/89/25/34/992892534.db2.gz FZUOTMYAFDSYPD-LLVKDONJSA-N 2 0 244.342 1.734 20 0 BDADRP Cc1c([C@@H](C)[NH2+]C2CC(C[NH3+])C2)cnn1C ZINC001262487846 992892934 /nfs/dbraw/zinc/89/29/34/992892934.db2.gz HYPSPAHELXAJBD-MFAVDMRSSA-N 2 0 222.336 1.116 20 0 BDADRP C(C1=NOCC1)[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC001574773884 992901238 /nfs/dbraw/zinc/90/12/38/992901238.db2.gz GDLWVSCLZORCRA-VXGBXAGGSA-N 2 0 237.347 1.084 20 0 BDADRP C([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[C@H]1[C@@H]2C[NH2+]C[C@H]12 ZINC001574795171 992911342 /nfs/dbraw/zinc/91/13/42/992911342.db2.gz LQXMEBMAVUAXHE-NMIFLECGSA-N 2 0 206.333 1.230 20 0 BDADRP C([NH2+]C1CC2(C1)CCCC2)[C@H]1C[NH2+]CCCO1 ZINC001574799981 992912439 /nfs/dbraw/zinc/91/24/39/992912439.db2.gz GRURPCINEIOIRR-CYBMUJFWSA-N 2 0 238.375 1.677 20 0 BDADRP C(C[C@H]1CCOC1)[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC001574816462 992915476 /nfs/dbraw/zinc/91/54/76/992915476.db2.gz FQEALWBLVPQNCM-XQQFMLRXSA-N 2 0 224.348 1.287 20 0 BDADRP C1[NH2+]CC12C[C@@H]([NH2+][C@H]1C[C@@H]3CC[C@@H](C3)C1)CO2 ZINC001574816480 992917678 /nfs/dbraw/zinc/91/76/78/992917678.db2.gz FZIGBCYUZPEVHM-MROQNXINSA-N 2 0 236.359 1.286 20 0 BDADRP C([NH2+][C@H]1C[C@@H]2COC[C@@H]21)[C@]12CCC[C@H]1[NH2+]CC2 ZINC001574816303 992917980 /nfs/dbraw/zinc/91/79/80/992917980.db2.gz CJXFUQTXSQQZJQ-MBJXGIAVSA-N 2 0 236.359 1.143 20 0 BDADRP C([NH2+][C@H]1C[C@@H]2CCC[C@@H]21)[C@H]1[C@@H]2C[NH2+]C[C@H]12 ZINC001574816393 992918868 /nfs/dbraw/zinc/91/88/68/992918868.db2.gz DMEFKSFECXCIBO-NFXCPBFJSA-N 2 0 206.333 1.230 20 0 BDADRP CC(C)(C[NH3+])C[NH2+]C[C@@H](CO)Cc1ccoc1 ZINC001575315703 993004364 /nfs/dbraw/zinc/00/43/64/993004364.db2.gz WITQPYYSELKLJL-LBPRGKRZSA-N 2 0 240.347 1.005 20 0 BDADRP CC(C)(O)C[NH+]1CCC2(CCC[C@@H]2C[NH3+])CC1 ZINC001575379848 993031319 /nfs/dbraw/zinc/03/13/19/993031319.db2.gz MIVINUAGMYIOTD-GFCCVEGCSA-N 2 0 240.391 1.598 20 0 BDADRP CC(C)(O)C[N@@H+]1C[C@H]2CCCC[C@]2(C[NH3+])C1 ZINC001575379804 993031876 /nfs/dbraw/zinc/03/18/76/993031876.db2.gz LRVJKGXWJAZUMB-YPMHNXCESA-N 2 0 226.364 1.208 20 0 BDADRP CC(C)[C@H](CC(F)(F)F)[NH2+]C[C@@H](O)CC[NH3+] ZINC001575423531 993035233 /nfs/dbraw/zinc/03/52/33/993035233.db2.gz WIVIOBDEUULSRT-IUCAKERBSA-N 2 0 242.285 1.263 20 0 BDADRP CC(C)[C@H](C[NH3+])C[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC001575423833 993041708 /nfs/dbraw/zinc/04/17/08/993041708.db2.gz YVLIYFWFRFWLAF-RFQIPJPRSA-N 2 0 240.391 1.765 20 0 BDADRP CC(C)[C@@H]([NH3+])C[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC001575460610 993045900 /nfs/dbraw/zinc/04/59/00/993045900.db2.gz NJWYBVKAXVIKLJ-SNIKSBKOSA-N 2 0 238.375 1.373 20 0 BDADRP CC(C)[C@@H]([NH3+])CNCc1c[nH+]ccc1N(C)C ZINC001575459773 993045951 /nfs/dbraw/zinc/04/59/51/993045951.db2.gz BMLQRQBAEMQHKY-LBPRGKRZSA-N 2 0 236.363 1.221 20 0 BDADRP CC(C)[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC001575497666 993056168 /nfs/dbraw/zinc/05/61/68/993056168.db2.gz GCGPTAKFVQPYGX-NNYUYHANSA-N 2 0 212.337 1.269 20 0 BDADRP CC(C)C1([NH2+]C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC001575497320 993057350 /nfs/dbraw/zinc/05/73/50/993057350.db2.gz WSMWJZKMZPMJJI-LLVKDONJSA-N 2 0 224.348 1.286 20 0 BDADRP CC(C)C[C@@H](C[NH3+])NC(=O)CCCC[NH+](C)C ZINC001575541077 993067031 /nfs/dbraw/zinc/06/70/31/993067031.db2.gz PNMHLZRQSZWESQ-LBPRGKRZSA-N 2 0 243.395 1.208 20 0 BDADRP CC(C)CC[C@@H](C)[NH2+]C[C@@]1(O)CC[NH2+]C1 ZINC001575555694 993074404 /nfs/dbraw/zinc/07/44/04/993074404.db2.gz SNFGMNUVXCEYAJ-VXGBXAGGSA-N 2 0 214.353 1.125 20 0 BDADRP CC(C)C[C@@H](C[NH3+])NC(=O)C1([NH3+])CCCCC1 ZINC001263025603 993093361 /nfs/dbraw/zinc/09/33/61/993093361.db2.gz KHYYYOWBNQNFPP-NSHDSACASA-N 2 0 241.379 1.138 20 0 BDADRP C[C@H](CC(C)(C)C)[NH2+]C[C@@]1(O)CC[NH2+]C1 ZINC001575920556 993119587 /nfs/dbraw/zinc/11/95/87/993119587.db2.gz ANTPJODKSSZHMK-ZYHUDNBSSA-N 2 0 214.353 1.125 20 0 BDADRP CC(C)[C@@H]1C[C@H]1[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC001575831237 993110718 /nfs/dbraw/zinc/11/07/18/993110718.db2.gz GEOJWMPEPJSDFR-USZNOCQGSA-N 2 0 208.349 1.890 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C[C@H]([NH3+])C(C)(C)C ZINC001263130216 993126794 /nfs/dbraw/zinc/12/67/94/993126794.db2.gz NTWBEQCWBRKPGB-DCAQKATOSA-N 2 0 241.379 1.007 20 0 BDADRP C[C@@H](CC[NH3+])[NH2+]Cc1ccc2nonc2c1 ZINC001575961753 993141803 /nfs/dbraw/zinc/14/18/03/993141803.db2.gz HGSDNXVHVZFXFZ-QMMMGPOBSA-N 2 0 220.276 1.050 20 0 BDADRP C[C@H](CC[NH3+])[NH2+]C[C@]1(C)CCCCO1 ZINC001575962730 993141878 /nfs/dbraw/zinc/14/18/78/993141878.db2.gz WKLLJNMEAGNDRE-MNOVXSKESA-N 2 0 200.326 1.273 20 0 BDADRP C[C@@H](CCO)[NH2+]CC[C@@H]1CCC[NH2+]CC1 ZINC001575968076 993143311 /nfs/dbraw/zinc/14/33/11/993143311.db2.gz VAXFNEASMFHGEW-NWDGAFQWSA-N 2 0 214.353 1.127 20 0 BDADRP C[C@@](C[NH3+])([NH2+]Cc1cc[nH]c(=O)c1)C1CC1 ZINC001575976013 993147079 /nfs/dbraw/zinc/14/70/79/993147079.db2.gz QHCLPDXMKDPWDK-LBPRGKRZSA-N 2 0 221.304 1.004 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]Cc1cccc2nsnc21 ZINC001575989111 993151218 /nfs/dbraw/zinc/15/12/18/993151218.db2.gz QXCZRQOSKZUVRS-QMMMGPOBSA-N 2 0 236.344 1.376 20 0 BDADRP C[NH2+]C1CC(C(=O)Nc2cccc3c2C[NH2+]C3)C1 ZINC001263185481 993154227 /nfs/dbraw/zinc/15/42/27/993154227.db2.gz AROAXSJLWSFNSM-UHFFFAOYSA-N 2 0 245.326 1.226 20 0 BDADRP C[C@@H](C[NH2+]C[C@@H](N)CC(F)F)Cn1ccnc1 ZINC001576032531 993163419 /nfs/dbraw/zinc/16/34/19/993163419.db2.gz GPTNRERZTUNFGT-UWVGGRQHSA-N 3 0 246.305 1.091 20 0 BDADRP C[C@H](CSCCF)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC001576050630 993166810 /nfs/dbraw/zinc/16/68/10/993166810.db2.gz VSNUDCNPTCMYAN-IJLUTSLNSA-N 2 0 248.411 1.913 20 0 BDADRP C[C@@H](CSCCF)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC001576050628 993167913 /nfs/dbraw/zinc/16/79/13/993167913.db2.gz VSNUDCNPTCMYAN-GRYCIOLGSA-N 2 0 248.411 1.913 20 0 BDADRP [NH3+]Cc1ccccc1NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC001263266301 993198820 /nfs/dbraw/zinc/19/88/20/993198820.db2.gz KMDFUVVSZJEFCQ-UMSPYCQHSA-N 2 0 247.342 1.601 20 0 BDADRP C[C@H]([NH2+][C@H]1[C@@H]2CCC[C@@H]21)[C@H]1CCCC[NH2+]1 ZINC001576239041 993226790 /nfs/dbraw/zinc/22/67/90/993226790.db2.gz KTOYCYIUGQSUKR-KIJLLGNVSA-N 2 0 208.349 1.905 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CC[C@@H]([NH3+])C1)[C@@H]1CCCO1 ZINC001576244567 993229746 /nfs/dbraw/zinc/22/97/46/993229746.db2.gz LSMRMNKMXTYUMZ-KXNHARMFSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)[C@H]1COC(C)(C)O1 ZINC001576240478 993230203 /nfs/dbraw/zinc/23/02/03/993230203.db2.gz ZRFXFHMKXFTUNL-QJPTWQEYSA-N 2 0 242.363 1.258 20 0 BDADRP C[C@@H](O)[C@H]1CCC[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001576269057 993244722 /nfs/dbraw/zinc/24/47/22/993244722.db2.gz LCHHLGFCIIPNAK-MROQNXINSA-N 2 0 226.364 1.207 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC001576381508 993289750 /nfs/dbraw/zinc/28/97/50/993289750.db2.gz BWGYXAPMINRIDL-RCWTZXSCSA-N 2 0 224.348 1.005 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@@H](CO)CC1CC1 ZINC001576384664 993293427 /nfs/dbraw/zinc/29/34/27/993293427.db2.gz VODWOEQKPXBLOY-TUAOUCFPSA-N 2 0 226.364 1.110 20 0 BDADRP CC1(C)CCCC[C@H]1[NH2+]C[C@]1(O)CC[NH2+]C1 ZINC001576435354 993299985 /nfs/dbraw/zinc/29/99/85/993299985.db2.gz YKKIENDHHFKSKN-YPMHNXCESA-N 2 0 226.364 1.269 20 0 BDADRP CC1(C)CC[C@@H](CO)[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001576420907 993300715 /nfs/dbraw/zinc/30/07/15/993300715.db2.gz BBRSXEHVOGYKOD-XQQFMLRXSA-N 2 0 240.391 1.597 20 0 BDADRP CC1(C)CC[C@@H](O)[C@H]([NH2+]C[C@]23C[C@H]2C[NH2+]C3)C1 ZINC001576446455 993306402 /nfs/dbraw/zinc/30/64/02/993306402.db2.gz QJSSAIZJTFMUIH-FMCLSXCISA-N 2 0 238.375 1.125 20 0 BDADRP CC1(C)Cc2cc(C[NH2+][C@H]3C[C@@H]([NH3+])C3)ccc2O1 ZINC001576488323 993318071 /nfs/dbraw/zinc/31/80/71/993318071.db2.gz XFRJTBYCDHPYFO-BETUJISGSA-N 2 0 246.354 1.979 20 0 BDADRP C[C@]1(C[N@@H+]2CC[C@H](CC[NH3+])C2)CCCCO1 ZINC001576504004 993325016 /nfs/dbraw/zinc/32/50/16/993325016.db2.gz ZZOAXTNDJDBGLQ-QWHCGFSZSA-N 2 0 226.364 1.616 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2C[C@@H]3COC[C@H]23)CCC[NH2+]C1 ZINC001576518559 993327789 /nfs/dbraw/zinc/32/77/89/993327789.db2.gz AIJMMCHDOORUFG-XQHKEYJVSA-N 2 0 224.348 1.001 20 0 BDADRP C[C@@]1(C[NH2+][C@@H]2CCCOC2)CCC[NH2+]C1 ZINC001576520139 993329693 /nfs/dbraw/zinc/32/96/93/993329693.db2.gz ZANGWJJVGAQOKG-VXGBXAGGSA-N 2 0 212.337 1.145 20 0 BDADRP CC1(O)CCC([NH2+]C2CC3(CC([NH3+])C3)C2)CC1 ZINC001576546040 993338701 /nfs/dbraw/zinc/33/87/01/993338701.db2.gz YBJCIHREMHYTHJ-UHFFFAOYSA-N 2 0 238.375 1.540 20 0 BDADRP CC1=CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC001576556524 993341733 /nfs/dbraw/zinc/34/17/33/993341733.db2.gz RXKBTEDSEDMTMU-RNJOBUHISA-N 2 0 206.333 1.968 20 0 BDADRP C[C@@H]1CC(C)(C)C[N@@H+]1C[C@@]1(O)CCC[NH2+]C1 ZINC001576589503 993357684 /nfs/dbraw/zinc/35/76/84/993357684.db2.gz QJBNKDTYSZBBGZ-DGCLKSJQSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+][C@@H]2C[C@@H]3CC[C@H]2O3)CC[NH2+]1 ZINC001576597468 993360599 /nfs/dbraw/zinc/36/05/99/993360599.db2.gz FINOKWIXEJSGIK-KSSYENDESA-N 2 0 224.348 1.284 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+](C)CC2CC[NH2+]CC2)CCO1 ZINC001576597097 993360676 /nfs/dbraw/zinc/36/06/76/993360676.db2.gz DIOLORHEFLMEAE-TZMCWYRMSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1[C@@H](C)CC(O)C[C@@H]1C ZINC001576623980 993372918 /nfs/dbraw/zinc/37/29/18/993372918.db2.gz NPLGFWMGAQKHOB-RHYQMDGZSA-N 2 0 226.364 1.076 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC001576623984 993372991 /nfs/dbraw/zinc/37/29/91/993372991.db2.gz NPUHFCDOYVARFE-YVECIDJPSA-N 3 0 225.380 1.186 20 0 BDADRP C[C@@H](Cc1ccno1)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC001576625572 993376257 /nfs/dbraw/zinc/37/62/57/993376257.db2.gz ZUAKFEAJVNJVRI-OUAUKWLOSA-N 2 0 223.320 1.336 20 0 BDADRP COc1ccncc1CN1CCCC[C@H](C[NH3+])C1 ZINC000381222505 993380156 /nfs/dbraw/zinc/38/01/56/993380156.db2.gz GKWRIAFQPBBELL-GFCCVEGCSA-N 2 0 249.358 1.651 20 0 BDADRP C[C@@H]1CC2(CC([NH2+][C@H]3C[C@H]([NH3+])C3)C2)CO1 ZINC001576637870 993382598 /nfs/dbraw/zinc/38/25/98/993382598.db2.gz XCMSAZSOUPAIDV-HVHKSXCFSA-N 2 0 210.321 1.023 20 0 BDADRP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[NH2+]C[C@H]1O ZINC001576689357 993395772 /nfs/dbraw/zinc/39/57/72/993395772.db2.gz APXAKAYADILGEP-FDYHWXHSSA-N 2 0 226.364 1.125 20 0 BDADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NCC(C)(C)[NH3+] ZINC001576705514 993400443 /nfs/dbraw/zinc/40/04/43/993400443.db2.gz TVODZHGBMHJFCQ-RYUDHWBXSA-N 2 0 227.396 1.434 20 0 BDADRP CCCC[N@H+](C)CCNC1CC[NH+](C)CC1 ZINC000381541721 993404549 /nfs/dbraw/zinc/40/45/49/993404549.db2.gz IEJMVMHPVDFPRL-UHFFFAOYSA-N 2 0 227.396 1.402 20 0 BDADRP C[C@H]1CC[N@H+](C[C@H]2COC(C)(C)O2)C[C@@H]1C[NH3+] ZINC001576731680 993408734 /nfs/dbraw/zinc/40/87/34/993408734.db2.gz MVSLRVJEHNTKJU-SRVKXCTJSA-N 2 0 242.363 1.055 20 0 BDADRP CC[C@@](C)(C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C)OC ZINC001576949958 993467382 /nfs/dbraw/zinc/46/73/82/993467382.db2.gz WPVBBXSPEMCNBQ-WOPDTQHZSA-N 2 0 214.353 1.247 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2C[C@H]2c2cnn(C)c2)CC[C@H]1[NH3+] ZINC001576806043 993427606 /nfs/dbraw/zinc/42/76/06/993427606.db2.gz ALWITKBWAFVTNM-ZMJPVWNMSA-N 2 0 248.374 1.193 20 0 BDADRP C[C@H]1C[N@H+](C)[C@@H](C)CN1C[C@@H]1CCC[NH2+]C1 ZINC001576806094 993430068 /nfs/dbraw/zinc/43/00/68/993430068.db2.gz BGTBJKWNSHSIJM-RWMBFGLXSA-N 2 0 225.380 1.010 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576855582 993436161 /nfs/dbraw/zinc/43/61/61/993436161.db2.gz UWOQUDAQCSWHMY-KXNHARMFSA-N 2 0 212.337 1.128 20 0 BDADRP CC[C@H](C)[C@H](C(=O)OC)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC001576967737 993466750 /nfs/dbraw/zinc/46/67/50/993466750.db2.gz WTICSYKAABKKBH-SDDRHHMPSA-N 2 0 242.363 1.245 20 0 BDADRP CC[C@@H](C)[C@H](C[NH+]1CC2(C1)CC[NH2+]CC2)OC ZINC001576960515 993467637 /nfs/dbraw/zinc/46/76/37/993467637.db2.gz FCRHTAGPKHBLHA-OLZOCXBDSA-N 2 0 240.391 1.733 20 0 BDADRP CC[C@@](C)(O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC001576961354 993469996 /nfs/dbraw/zinc/46/99/96/993469996.db2.gz UAKDNDWBFJTCQJ-GMTAPVOTSA-N 2 0 200.326 1.007 20 0 BDADRP CC[C@@H](C)C[C@H](CO)[NH2+]CC(C)(C)C[NH3+] ZINC001576971448 993475745 /nfs/dbraw/zinc/47/57/45/993475745.db2.gz PJFDDOABFSIGQF-GHMZBOCLSA-N 2 0 216.369 1.358 20 0 BDADRP CCC(CC)(C[NH3+])CN[C@H]1CC[N@H+](C)[C@H]1C ZINC001577052139 993489964 /nfs/dbraw/zinc/48/99/64/993489964.db2.gz JSIVBUDEDLZHRD-RYUDHWBXSA-N 2 0 227.396 1.434 20 0 BDADRP CCC(CC)(C[NH3+])C[N@@H+](CC(N)=O)CC(C)C ZINC001577051760 993491287 /nfs/dbraw/zinc/49/12/87/993491287.db2.gz ZQWLNNRXCVKOAC-UHFFFAOYSA-N 2 0 243.395 1.195 20 0 BDADRP CC[C@@H](CCC(F)(F)F)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001577077769 993496320 /nfs/dbraw/zinc/49/63/20/993496320.db2.gz VSRTVKAYSZVXGP-AXTSPUMRSA-N 2 0 236.281 1.915 20 0 BDADRP CC[C@@H](C[NH2+]C[C@@H](C[NH3+])C(C)C)C(=O)OC ZINC001577091241 993502582 /nfs/dbraw/zinc/50/25/82/993502582.db2.gz ZHUSXJVOKICKHF-WDEREUQCSA-N 2 0 230.352 1.006 20 0 BDADRP C[N@@H+]1CC[C@@H](CNC2CC[NH+](C3CC3)CC2)C1 ZINC000383744444 993511628 /nfs/dbraw/zinc/51/16/28/993511628.db2.gz ITVYXDVWLLOIJK-LBPRGKRZSA-N 2 0 237.391 1.155 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+]C[C@]1(C)CCCCO1 ZINC001577124939 993515243 /nfs/dbraw/zinc/51/52/43/993515243.db2.gz YOBJTTRNUDFBBJ-MNOVXSKESA-N 2 0 200.326 1.273 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@@H](COC)CC1CCOCC1 ZINC001577124774 993515506 /nfs/dbraw/zinc/51/55/06/993515506.db2.gz QITGJECDDCFTAN-CHWSQXEVSA-N 2 0 244.379 1.145 20 0 BDADRP CC[C@@]1(O)CCC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC001577233083 993552208 /nfs/dbraw/zinc/55/22/08/993552208.db2.gz DEVDPYKMKUDAJK-FRRDWIJNSA-N 2 0 226.364 1.079 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)CO1 ZINC001577240363 993554724 /nfs/dbraw/zinc/55/47/24/993554724.db2.gz FUUXYMURMQKHBL-WHOHXGKFSA-N 2 0 212.337 1.271 20 0 BDADRP CCCC(C)(C)[NH2+]C[C@H]([NH3+])CCOC ZINC001577324857 993592638 /nfs/dbraw/zinc/59/26/38/993592638.db2.gz CTGMKKBZCLHYTO-SNVBAGLBSA-N 2 0 202.342 1.519 20 0 BDADRP CCC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC001577367950 993621874 /nfs/dbraw/zinc/62/18/74/993621874.db2.gz BRDUIHXPXGSTFI-HBNTYKKESA-N 2 0 200.326 1.007 20 0 BDADRP CCC[C@@H]1[C@@H](C)CCC[N@@H+]1C[C@@H](O)C[NH2+]C ZINC001577375253 993628240 /nfs/dbraw/zinc/62/82/40/993628240.db2.gz UPJVYWFYPJCAAE-RWMBFGLXSA-N 2 0 228.380 1.467 20 0 BDADRP CCCCN(C)C[C@@H](C)[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC001577445145 993663596 /nfs/dbraw/zinc/66/35/96/993663596.db2.gz JQPSJWYJVKUXSS-MCIONIFRSA-N 2 0 241.423 1.824 20 0 BDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)C[NH3+] ZINC001577445219 993665292 /nfs/dbraw/zinc/66/52/92/993665292.db2.gz MENMLIDISVVYHC-LLVKDONJSA-N 2 0 243.395 1.208 20 0 BDADRP CCCC[N@H+](CCO)CC1(C[NH3+])CCC1 ZINC001577454722 993667994 /nfs/dbraw/zinc/66/79/94/993667994.db2.gz MEUXBMPHDZWWBP-UHFFFAOYSA-N 2 0 214.353 1.210 20 0 BDADRP CCC[N@H+](CC(C)C)C[C@](C)(O)C[NH2+]C ZINC001577504504 993671077 /nfs/dbraw/zinc/67/10/77/993671077.db2.gz SXZLDFNPYZKPGX-GFCCVEGCSA-N 2 0 216.369 1.325 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C[C@@H](O)CF ZINC000386157793 993680754 /nfs/dbraw/zinc/68/07/54/993680754.db2.gz VNUDDLSVGHQVAD-NEPJUHHUSA-N 2 0 234.359 1.417 20 0 BDADRP CCCNC(=O)CCC[N@H+](C)CC(C)(C)C[NH3+] ZINC001577538764 993682019 /nfs/dbraw/zinc/68/20/19/993682019.db2.gz KIEYOZCVKNRESY-UHFFFAOYSA-N 2 0 243.395 1.210 20 0 BDADRP CC(C)[NH+]1CCC(n2cnc3c2C[NH2+]CC3)CC1 ZINC000387421030 993709607 /nfs/dbraw/zinc/70/96/07/993709607.db2.gz OEWDXPHWZVPFIF-UHFFFAOYSA-N 2 0 248.374 1.574 20 0 BDADRP CC[NH+](CC)C[C@H](C)NCC12CC(C1)C[NH2+]2 ZINC001577684494 993721458 /nfs/dbraw/zinc/72/14/58/993721458.db2.gz BRUZLGQIHOGSJN-HIFPTAJRSA-N 2 0 225.380 1.058 20 0 BDADRP CC[N@@H+]1CC[C@H](N[C@@H]2CCC[NH+](C)CC2)C1 ZINC000389556274 993746938 /nfs/dbraw/zinc/74/69/38/993746938.db2.gz RQDSKVAODQWHBR-OLZOCXBDSA-N 2 0 225.380 1.155 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CCSCC[NH3+])C1 ZINC000389789680 993764638 /nfs/dbraw/zinc/76/46/38/993764638.db2.gz KVHVEGHQEXHAJF-NXEZZACHSA-N 2 0 202.367 1.457 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCCOCC2)CC1 ZINC000390283697 993785331 /nfs/dbraw/zinc/78/53/31/993785331.db2.gz WACVRCRYOJMVEJ-CHWSQXEVSA-N 2 0 226.364 1.629 20 0 BDADRP CCC(CC)[N@H+](C)C[C@H](O)C[NH+](CC)CC ZINC000390459010 993786740 /nfs/dbraw/zinc/78/67/40/993786740.db2.gz BGGVNDCNZDVIOE-ZDUSSCGKSA-N 2 0 230.396 1.810 20 0 BDADRP CC(C)O[C@H]1CC[N@@H+]([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000701658434 993896132 /nfs/dbraw/zinc/89/61/32/993896132.db2.gz RXAVVATYAOYZHH-UPJWGTAASA-N 2 0 226.364 1.626 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+]CCCC(C)(C)CO)CC1 ZINC000393370044 993940913 /nfs/dbraw/zinc/94/09/13/993940913.db2.gz DSSQQYQBMPSTAC-ZDUSSCGKSA-N 2 0 242.407 1.859 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@H]2CC[C@@H](O)C2)CC1 ZINC000393504226 993961695 /nfs/dbraw/zinc/96/16/95/993961695.db2.gz HAIXQHUBTGUFQB-PYNQCMFNSA-N 2 0 226.364 1.362 20 0 BDADRP C[C@H]1CC([NH2+]C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000702212737 993971433 /nfs/dbraw/zinc/97/14/33/993971433.db2.gz BVGRKFKRKXYSLB-UWVGGRQHSA-N 2 0 212.337 1.284 20 0 BDADRP CC[NH+](CC)C[C@@H](O)C[N@H+](CC1CC1)C1CC1 ZINC000393859764 994018119 /nfs/dbraw/zinc/01/81/19/994018119.db2.gz FKZZRQHZYXFVAY-CQSZACIVSA-N 2 0 240.391 1.564 20 0 BDADRP COC[C@@H]1CCC[N@@H+]1Cc1cnc(C)[nH]1 ZINC000724784991 994074229 /nfs/dbraw/zinc/07/42/29/994074229.db2.gz YCUGCUQHUVSWET-NSHDSACASA-N 2 0 209.293 1.329 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCCSC1 ZINC000822127073 994418110 /nfs/dbraw/zinc/41/81/10/994418110.db2.gz FFAKEAJWNZEFFH-NWDGAFQWSA-N 2 0 228.405 1.956 20 0 BDADRP CCC(CC)(C[NH3+])C(=O)N[C@@H](C)CC[NH+](C)C ZINC000044763847 168322511 /nfs/dbraw/zinc/32/25/11/168322511.db2.gz MXDBWXFTDWJOOS-NSHDSACASA-N 2 0 243.395 1.208 20 0 BDADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H](C)[NH3+])c1 ZINC000158041650 177970125 /nfs/dbraw/zinc/97/01/25/177970125.db2.gz UBKTWAPTAOHMLM-JTQLQIEISA-N 2 0 235.331 1.342 20 0 BDADRP CCC(CC)(CO)C[NH2+][C@H](C)CCC[NH3+] ZINC000308874652 168328051 /nfs/dbraw/zinc/32/80/51/168328051.db2.gz UEPWXDJESMRZMY-LLVKDONJSA-N 2 0 216.369 1.502 20 0 BDADRP CCC(CC)(CO)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000128102812 168328101 /nfs/dbraw/zinc/32/81/01/168328101.db2.gz SYNXIPMXSDPGEW-OLZOCXBDSA-N 2 0 242.407 1.857 20 0 BDADRP CC(C)(C)[NH2+]CCN1CC[C@H]([NH+]2CCCC2)C1 ZINC000062967746 349502936 /nfs/dbraw/zinc/50/29/36/349502936.db2.gz MGDLRCKKYUYTKK-ZDUSSCGKSA-N 2 0 239.407 1.545 20 0 BDADRP C1C[C@H]2C[C@H]([NH2+][C@@H]3CCCOCC3)CC[N@@H+]2C1 ZINC000157464861 136213787 /nfs/dbraw/zinc/21/37/87/136213787.db2.gz KVJXTTURKVJTNR-MCIONIFRSA-N 2 0 238.375 1.772 20 0 BDADRP C[C@@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C(C)(C)C ZINC000379841926 398173671 /nfs/dbraw/zinc/17/36/71/398173671.db2.gz DEFMTCJKDMAKNV-SDDRHHMPSA-N 2 0 210.365 1.820 20 0 BDADRP C[C@H](CCO)C1(C[NH2+][C@@H](C)C[C@H](C)[NH3+])CCC1 ZINC000423019852 398160978 /nfs/dbraw/zinc/16/09/78/398160978.db2.gz XLUSTZMQCUQUIU-AGIUHOORSA-N 2 0 242.407 1.891 20 0 BDADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@@H](C)CCC[NH3+])C1(C)C ZINC000423019849 398161031 /nfs/dbraw/zinc/16/10/31/398161031.db2.gz XLSZYCPCWVYFLP-IRCOFANPSA-N 2 0 228.380 1.763 20 0 BDADRP C[C@H]1C[C@@H](C[NH2+]CCc2ccccn2)CC[NH2+]1 ZINC000415117636 398163044 /nfs/dbraw/zinc/16/30/44/398163044.db2.gz VVDWFXIRFOOOAG-STQMWFEESA-N 2 0 233.359 1.602 20 0 BDADRP C[NH2+][C@H](C)c1cn(Cc2cccnc2C)nn1 ZINC000380114382 398187179 /nfs/dbraw/zinc/18/71/79/398187179.db2.gz AKXCGCNQSIINFO-SNVBAGLBSA-N 2 0 231.303 1.310 20 0 BDADRP Cc1cc(N(C)CC[NH3+])c2ccccc2[nH+]1 ZINC000053663645 178099090 /nfs/dbraw/zinc/09/90/90/178099090.db2.gz JZKVXKMWSUSGSQ-UHFFFAOYSA-N 2 0 215.300 1.938 20 0 BDADRP CCC[C@H](C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)OC ZINC000385994613 398194431 /nfs/dbraw/zinc/19/44/31/398194431.db2.gz FLRNHPDQNYKINU-TZMCWYRMSA-N 2 0 240.391 1.875 20 0 BDADRP COC[C@@H](C)C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000576250560 365538141 /nfs/dbraw/zinc/53/81/41/365538141.db2.gz ATCNTIJUZNNMDN-WDEREUQCSA-N 2 0 200.326 1.001 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCC1(O)CCC1 ZINC000342805881 365559597 /nfs/dbraw/zinc/55/95/97/365559597.db2.gz KXEDSFGEZFWNDR-AGIUHOORSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@H]([NH3+])C[NH2+][C@@H](C)CCc1ccccc1 ZINC000199981027 398217405 /nfs/dbraw/zinc/21/74/05/398217405.db2.gz IJWHTFRKNCJMNR-RYUDHWBXSA-N 2 0 206.333 1.945 20 0 BDADRP CN(CC[N@H+](C)C[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000649413010 398211351 /nfs/dbraw/zinc/21/13/51/398211351.db2.gz HKHADRCPGJGDBN-CQSZACIVSA-N 2 0 247.386 1.664 20 0 BDADRP CC[NH+](CC)C[C@H]1CCN(C[C@H]2CC[NH2+]C2)C1 ZINC000649413951 398211913 /nfs/dbraw/zinc/21/19/13/398211913.db2.gz XCVFDQJYYYUSME-UONOGXRCSA-N 2 0 239.407 1.260 20 0 BDADRP Cc1cc(NC[C@H](C)N2CC[NH+](C)CC2)cc[nH+]1 ZINC000274805049 178168371 /nfs/dbraw/zinc/16/83/71/178168371.db2.gz LGBHLHXPWCBQGA-ZDUSSCGKSA-N 2 0 248.374 1.438 20 0 BDADRP [NH3+]C[C@@H]1CCCN1CCc1cccnc1 ZINC000082595418 136221734 /nfs/dbraw/zinc/22/17/34/136221734.db2.gz MBNHQZGMMACTSM-LBPRGKRZSA-N 2 0 205.305 1.047 20 0 BDADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)C1CC1 ZINC000020200386 538930834 /nfs/dbraw/zinc/93/08/34/538930834.db2.gz IZEUDXCKBVIWJO-GFCCVEGCSA-N 2 0 239.407 1.401 20 0 BDADRP Cc1cc([C@@H]2CCC[N@@H+]2CCOCC[NH3+])on1 ZINC000357079936 178240745 /nfs/dbraw/zinc/24/07/45/178240745.db2.gz LSOGRNNADPIIIK-NSHDSACASA-N 2 0 239.319 1.095 20 0 BDADRP c1cn(CC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cn1 ZINC000161989893 349528518 /nfs/dbraw/zinc/52/85/18/349528518.db2.gz QEINNCUEJPYFNF-AWEZNQCLSA-N 3 0 248.374 1.301 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[C@H]2O)C1 ZINC000576479963 365607858 /nfs/dbraw/zinc/60/78/58/365607858.db2.gz SPKZMMKVYCVGSZ-FIQHERPVSA-N 2 0 212.337 1.007 20 0 BDADRP C[N@H+](CC1CC[NH2+]CC1)[C@H]1CCN(C2CC2)C1 ZINC000094010901 398244230 /nfs/dbraw/zinc/24/42/30/398244230.db2.gz JJUHZLBAEXOZKG-AWEZNQCLSA-N 2 0 237.391 1.155 20 0 BDADRP C([NH2+][C@H]1CC[C@@H]1C1CC1)C1CC[NH2+]CC1 ZINC000576626519 365632511 /nfs/dbraw/zinc/63/25/11/365632511.db2.gz JQXYSURRSOMSLM-OLZOCXBDSA-N 2 0 208.349 1.764 20 0 BDADRP CC1(C)OCC[C@H]1[NH2+][C@@H]1CCN(CC2CC2)C1 ZINC000645406941 398246122 /nfs/dbraw/zinc/24/61/22/398246122.db2.gz HUYYHDMBOIBIJB-CHWSQXEVSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc2cnn(C)c2c1 ZINC000576576102 365627104 /nfs/dbraw/zinc/62/71/04/365627104.db2.gz JNYFUZLEFZRFJT-LLVKDONJSA-N 2 0 246.358 1.790 20 0 BDADRP CC[C@H](C)[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)OC ZINC000381273172 398249826 /nfs/dbraw/zinc/24/98/26/398249826.db2.gz IJHMPWCEXWXBQZ-RVMXOQNASA-N 2 0 228.380 1.907 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000576634737 365643799 /nfs/dbraw/zinc/64/37/99/365643799.db2.gz FKIRRCOYGFFNNO-GXFFZTMASA-N 2 0 241.379 1.090 20 0 BDADRP CC[C@@H]1CN(Cc2ccon2)CC[C@@H]1[NH3+] ZINC000381346702 398253599 /nfs/dbraw/zinc/25/35/99/398253599.db2.gz ZHKVVEMFBDLFAD-KOLCDFICSA-N 2 0 209.293 1.234 20 0 BDADRP C[NH2+]CCC[N@H+](CCOC)C1CCCC1 ZINC000381506716 398253751 /nfs/dbraw/zinc/25/37/51/398253751.db2.gz SUYYTOANTJUAPZ-UHFFFAOYSA-N 2 0 214.353 1.487 20 0 BDADRP C[C@@H](C[NH2+]CC1(C)CC1)CN1CC[NH+](C)CC1 ZINC000576683929 365657003 /nfs/dbraw/zinc/65/70/03/365657003.db2.gz DOIGYOXXPCXXRI-ZDUSSCGKSA-N 2 0 239.407 1.260 20 0 BDADRP CC[N@@H+]1CC[C@H](CNCc2snnc2C)C1 ZINC000381628090 398267659 /nfs/dbraw/zinc/26/76/59/398267659.db2.gz LYCSIGHSTVJFSB-SNVBAGLBSA-N 2 0 240.376 1.278 20 0 BDADRP CSCC[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000602498360 349560063 /nfs/dbraw/zinc/56/00/63/349560063.db2.gz IVQOLUDZZDRZGJ-UHFFFAOYSA-N 2 0 246.420 1.174 20 0 BDADRP CN1CCC([NH2+]Cc2ccc(C[NH3+])cc2)CC1 ZINC000259167589 349560450 /nfs/dbraw/zinc/56/04/50/349560450.db2.gz YMVZIIVZJLSDQT-UHFFFAOYSA-N 2 0 233.359 1.329 20 0 BDADRP [NH3+]C1(C[NH2+]C2CCOCC2)CCCCCC1 ZINC000334838493 398273639 /nfs/dbraw/zinc/27/36/39/398273639.db2.gz VVPSSRMVCXIKMB-UHFFFAOYSA-N 2 0 226.364 1.807 20 0 BDADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cncs2)C1 ZINC000166660994 361854733 /nfs/dbraw/zinc/85/47/33/361854733.db2.gz FZXJKIZNJWTHPY-SNVBAGLBSA-N 2 0 225.361 1.704 20 0 BDADRP CC[C@@H](CO)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000037221571 538961864 /nfs/dbraw/zinc/96/18/64/538961864.db2.gz NTVUKZDCWQLWGJ-JQWIXIFHSA-N 2 0 214.353 1.077 20 0 BDADRP C[C@H]([NH2+]CCN1CCCC1)C1CC[NH+](C)CC1 ZINC000037220755 538961894 /nfs/dbraw/zinc/96/18/94/538961894.db2.gz FXFCGFMNHBPJJR-ZDUSSCGKSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCCOC1)C1CC[NH+](C)CC1 ZINC000038044623 538964625 /nfs/dbraw/zinc/96/46/25/538964625.db2.gz OUVONYKKENEZOV-OLZOCXBDSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C2CCC(C[NH3+])CC2)CS1 ZINC000335611712 136237272 /nfs/dbraw/zinc/23/72/72/136237272.db2.gz IHUASAGZTHHTPX-WNYYMSAVSA-N 2 0 228.405 1.988 20 0 BDADRP [NH3+][C@H]1CC2(CC[NH2+]CC2)c2ccccc21 ZINC000147091488 342773706 /nfs/dbraw/zinc/77/37/06/342773706.db2.gz QEFRXSQYMVSCRK-LBPRGKRZSA-N 2 0 202.301 1.711 20 0 BDADRP [NH3+][C@@H]1[C@H]2Cc3c(cccc3C3=CC[NH2+]CC3)[C@@H]12 ZINC000630052928 361922882 /nfs/dbraw/zinc/92/28/82/361922882.db2.gz ZZYBAGDEQDJFRI-RRFJBIMHSA-N 2 0 226.323 1.660 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000381479040 539001876 /nfs/dbraw/zinc/00/18/76/539001876.db2.gz RZLPJVYCFNNJJS-GRYCIOLGSA-N 2 0 228.380 1.730 20 0 BDADRP C[C@H]1CC[NH2+]C[C@@H]1NCC1([NH3+])CCCCC1 ZINC000335626296 136240809 /nfs/dbraw/zinc/24/08/09/136240809.db2.gz VTHRSQKFXJGYLE-RYUDHWBXSA-N 2 0 225.380 1.236 20 0 BDADRP C[N@@H+]1CC[C@H](NC2C[NH2+]C2)C[C@@H]1c1ccccc1 ZINC000335626073 136240913 /nfs/dbraw/zinc/24/09/13/136240913.db2.gz XDYWCVFTUKMIKG-DZGCQCFKSA-N 2 0 245.370 1.383 20 0 BDADRP CC(C)C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000232590941 342859955 /nfs/dbraw/zinc/85/99/55/342859955.db2.gz GYERQGOUPJMKHL-UHFFFAOYSA-N 2 0 240.391 1.469 20 0 BDADRP C=Cn1cc(C[NH2+]CC2CC[NH+](CC)CC2)cn1 ZINC000233979641 342916024 /nfs/dbraw/zinc/91/60/24/342916024.db2.gz GHBABRJONLTJIO-UHFFFAOYSA-N 2 0 248.374 1.805 20 0 BDADRP CC[C@](C)(O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000336258001 398325457 /nfs/dbraw/zinc/32/54/57/398325457.db2.gz QBGSMDOCVARVQH-KBPBESRZSA-N 2 0 240.391 1.565 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2Cc3ccccc3O2)C1 ZINC000222969886 259330947 /nfs/dbraw/zinc/33/09/47/259330947.db2.gz HDFITYVMLGNJQM-RDBSUJKOSA-N 2 0 246.354 1.850 20 0 BDADRP CCC[C@@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394341305 398336525 /nfs/dbraw/zinc/33/65/25/398336525.db2.gz XWFJNTRXAGGCNS-QNMSZWNNSA-N 2 0 240.391 1.704 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](COC)C(C)C ZINC000234743378 342939856 /nfs/dbraw/zinc/93/98/56/342939856.db2.gz RKROJQITCKXKFK-NEPJUHHUSA-N 2 0 232.368 1.001 20 0 BDADRP CC[C@H]([NH3+])CNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000449600304 398338972 /nfs/dbraw/zinc/33/89/72/398338972.db2.gz NWDHFKNBSWUOSO-TUAOUCFPSA-N 2 0 241.379 1.138 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+]C1CCOCC1 ZINC000049553905 398332520 /nfs/dbraw/zinc/33/25/20/398332520.db2.gz QEDANEHXOFXLHV-SNVBAGLBSA-N 2 0 200.326 1.095 20 0 BDADRP C[C@@H](O)C[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000037687784 398333989 /nfs/dbraw/zinc/33/39/89/398333989.db2.gz NUGXNGJSFXYIAC-CYBMUJFWSA-N 2 0 236.359 1.479 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000358146543 398339253 /nfs/dbraw/zinc/33/92/53/398339253.db2.gz DGEAGZFKWBANNC-RFQIPJPRSA-N 2 0 242.407 1.856 20 0 BDADRP Cc1noc(C)c1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000228074893 398340897 /nfs/dbraw/zinc/34/08/97/398340897.db2.gz WWQCWEMEGJKIDX-KCJUWKMLSA-N 2 0 223.320 1.461 20 0 BDADRP CCOc1ccccc1[C@@H](C)NCC[NH3+] ZINC000037712502 342943648 /nfs/dbraw/zinc/94/36/48/342943648.db2.gz VIDYKHZDMGSVPS-SNVBAGLBSA-N 2 0 208.305 1.695 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2=CC[NH+](C)CC2)CC[N@@H+]1C ZINC000335771564 398342384 /nfs/dbraw/zinc/34/23/84/398342384.db2.gz HZGWWEOKHZFDLY-TZMCWYRMSA-N 3 0 237.391 1.321 20 0 BDADRP C[C@H](NCC1([NH3+])CCCCCC1)[C@@H]1CCC[NH2+]1 ZINC000580311462 346890950 /nfs/dbraw/zinc/89/09/50/346890950.db2.gz LZXXSLHCPUTQGQ-STQMWFEESA-N 2 0 239.407 1.768 20 0 BDADRP COCCC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000177944788 536666554 /nfs/dbraw/zinc/66/65/54/536666554.db2.gz IVFKVAKCPRADMW-QWHCGFSZSA-N 2 0 240.391 1.875 20 0 BDADRP COCCC1(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000234889113 342957445 /nfs/dbraw/zinc/95/74/45/342957445.db2.gz GYNQFGQNEBVTCZ-VXGBXAGGSA-N 2 0 226.364 1.663 20 0 BDADRP [NH3+]C[C@H]1C[N@H+](CCCCCF)CCCO1 ZINC000313395540 259334570 /nfs/dbraw/zinc/33/45/70/259334570.db2.gz PJINBJWKTMQZJZ-NSHDSACASA-N 2 0 218.316 1.176 20 0 BDADRP CC[C@@]1(O)CC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000495259541 529573666 /nfs/dbraw/zinc/57/36/66/529573666.db2.gz APGXOXLCYNSNJG-ZIAGYGMSSA-N 2 0 240.391 1.708 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)C1CCOCC1 ZINC000235208053 342997734 /nfs/dbraw/zinc/99/77/34/342997734.db2.gz SGBLATNWPOYHLR-LLVKDONJSA-N 2 0 226.364 1.391 20 0 BDADRP COCC[N@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211958892 343017438 /nfs/dbraw/zinc/01/74/38/343017438.db2.gz GXUOMYWCZPXVPN-UHFFFAOYSA-N 2 0 234.343 1.411 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)CCc1ccco1 ZINC000308806306 259340765 /nfs/dbraw/zinc/34/07/65/259340765.db2.gz AGHFJGGGMFXACZ-MNOVXSKESA-N 2 0 210.321 1.785 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CCO1 ZINC000235379691 343011336 /nfs/dbraw/zinc/01/13/36/343011336.db2.gz CCKIGEUUJNGVEG-DDHJBXDOSA-N 2 0 212.337 1.413 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)C(C)(C)O ZINC000400716863 529651315 /nfs/dbraw/zinc/65/13/15/529651315.db2.gz NLBIWWXCFJQCPK-DCAQKATOSA-N 2 0 214.353 1.266 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCOC2(C)C)C1 ZINC000381908686 346922420 /nfs/dbraw/zinc/92/24/20/346922420.db2.gz AIJVORZDXGFITB-RYUDHWBXSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CO1 ZINC000402110736 349793039 /nfs/dbraw/zinc/79/30/39/349793039.db2.gz DCAZJHAMCIZGPJ-WISYIIOYSA-N 2 0 212.337 1.271 20 0 BDADRP CCCC[N@H+](C)C[C@H](C)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000576838968 365701819 /nfs/dbraw/zinc/70/18/19/365701819.db2.gz XEQAKTCJDFIHGE-MELADBBJSA-N 2 0 241.423 1.966 20 0 BDADRP COC[C@@H](C)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000120562233 343126859 /nfs/dbraw/zinc/12/68/59/343126859.db2.gz MPKLCWJWKGOZPX-ZDUSSCGKSA-N 2 0 228.380 1.687 20 0 BDADRP Cc1nc(CN2CC[C@@H]([NH3+])C[C@@H]2C)oc1C ZINC000133604202 343184878 /nfs/dbraw/zinc/18/48/78/343184878.db2.gz FSAFOBAPZOOHOV-GZMMTYOYSA-N 2 0 223.320 1.603 20 0 BDADRP Cc1c(C[N@H+](C)CC2CC[NH2+]CC2)cnn1C ZINC000094011032 343152509 /nfs/dbraw/zinc/15/25/09/343152509.db2.gz VLEBJDANFJHYLG-UHFFFAOYSA-N 2 0 236.363 1.160 20 0 BDADRP C[C@H](C[NH3+])N(C)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000237602327 343157638 /nfs/dbraw/zinc/15/76/38/343157638.db2.gz GPBPYFHCZNNXFJ-YPMHNXCESA-N 2 0 249.358 1.272 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH2+]CC2=CCCOC2)C1 ZINC000124709589 343164387 /nfs/dbraw/zinc/16/43/87/343164387.db2.gz OVLMGPJUPWOGPH-GFCCVEGCSA-N 2 0 224.348 1.265 20 0 BDADRP COCC1([NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)CCCC1 ZINC000576958036 365734447 /nfs/dbraw/zinc/73/44/47/365734447.db2.gz YAQFAPZHDBFXSZ-STQMWFEESA-N 2 0 240.391 1.923 20 0 BDADRP CCSCC[NH+]1CCC(CC[NH3+])CC1 ZINC000129340423 343176510 /nfs/dbraw/zinc/17/65/10/343176510.db2.gz XKZPXDOPUIKHJM-UHFFFAOYSA-N 2 0 216.394 1.800 20 0 BDADRP COCCOCCCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000158952004 343201222 /nfs/dbraw/zinc/20/12/22/343201222.db2.gz SWRUWSZIODJTJA-OLZOCXBDSA-N 2 0 244.379 1.289 20 0 BDADRP C[C@H]1C[C@@H]1C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000167533322 343208995 /nfs/dbraw/zinc/20/89/95/343208995.db2.gz CASHCBDAJKVPGG-GXFFZTMASA-N 2 0 204.317 1.891 20 0 BDADRP Cc1c([C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cnn1C ZINC000132174010 343187174 /nfs/dbraw/zinc/18/71/74/343187174.db2.gz JVXPBCXEVFZXBZ-JQWIXIFHSA-N 2 0 236.363 1.379 20 0 BDADRP C[NH+](C)C1(CN[C@H]2CCC[C@@H]([NH3+])C2)CCCC1 ZINC000131963734 343187695 /nfs/dbraw/zinc/18/76/95/343187695.db2.gz JXJUWSPQXANJDK-OLZOCXBDSA-N 2 0 239.407 1.720 20 0 BDADRP CCC[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC000192523211 365740519 /nfs/dbraw/zinc/74/05/19/365740519.db2.gz WGTRWYUJUJLLJP-UHFFFAOYSA-N 2 0 219.332 1.922 20 0 BDADRP CC(C)[NH2+]CCC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000131933078 343237502 /nfs/dbraw/zinc/23/75/02/343237502.db2.gz LPGKUYMOZKUZEQ-NWDGAFQWSA-N 2 0 241.379 1.008 20 0 BDADRP COCCC[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000069626472 343286078 /nfs/dbraw/zinc/28/60/78/343286078.db2.gz PRSDEBFVJRMSHM-NSHDSACASA-N 2 0 200.326 1.084 20 0 BDADRP C[C@@H]([NH3+])CN1CC[C@H](C[NH3+])c2ccccc21 ZINC000634690836 343279610 /nfs/dbraw/zinc/27/96/10/343279610.db2.gz URFDHWBHNIRTHW-GHMZBOCLSA-N 2 0 219.332 1.286 20 0 BDADRP Cc1nccn1CCC[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000348754941 136297231 /nfs/dbraw/zinc/29/72/31/136297231.db2.gz DTPNKGQRFFTKLJ-WCQYABFASA-N 2 0 236.363 1.251 20 0 BDADRP Cc1nccn1CCC[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000348756354 136297542 /nfs/dbraw/zinc/29/75/42/136297542.db2.gz NUTQFUZYJFZTFQ-YPMHNXCESA-N 2 0 236.363 1.251 20 0 BDADRP C[C@H](c1cnccn1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000310172452 343356889 /nfs/dbraw/zinc/35/68/89/343356889.db2.gz PSQYMRATUQZATL-YPMHNXCESA-N 2 0 232.331 1.223 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000397776171 262933201 /nfs/dbraw/zinc/93/32/01/262933201.db2.gz MXOKQXZIDXYRTM-WJTVCTBASA-N 2 0 208.349 1.892 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000166216115 136309442 /nfs/dbraw/zinc/30/94/42/136309442.db2.gz FSUJYXLUYMHCNL-TZMCWYRMSA-N 2 0 218.344 1.898 20 0 BDADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H](O)C2CC2)CC1 ZINC000348962853 136311029 /nfs/dbraw/zinc/31/10/29/136311029.db2.gz IISVDDNLKPLOIR-ZDUSSCGKSA-N 2 0 240.391 1.610 20 0 BDADRP CC(C)[NH2+]CCC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000132004507 343393130 /nfs/dbraw/zinc/39/31/30/343393130.db2.gz JUGSZZAVFDJJAM-LBPRGKRZSA-N 2 0 243.395 1.206 20 0 BDADRP CCSCC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602876610 349807336 /nfs/dbraw/zinc/80/73/36/349807336.db2.gz HGXHNQROEHNCLE-GFCCVEGCSA-N 2 0 246.420 1.128 20 0 BDADRP CSCC[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602875795 349807393 /nfs/dbraw/zinc/80/73/93/349807393.db2.gz AKZMBRUZTSJADU-UHFFFAOYSA-N 2 0 228.405 1.767 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccnn1C ZINC000335694642 136326507 /nfs/dbraw/zinc/32/65/07/136326507.db2.gz IZWZYQAAIFBKRS-DGCLKSJQSA-N 2 0 236.363 1.192 20 0 BDADRP C[NH+](C)[C@@H](CNC(=O)CCC[NH3+])c1ccccc1 ZINC000040802220 343409373 /nfs/dbraw/zinc/40/93/73/343409373.db2.gz ADRJTABRPLGTCE-ZDUSSCGKSA-N 2 0 249.358 1.144 20 0 BDADRP CC(C)OCCC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000166370418 136352301 /nfs/dbraw/zinc/35/23/01/136352301.db2.gz BCQBUUXAKQUQPI-OLZOCXBDSA-N 2 0 228.380 1.731 20 0 BDADRP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2CC2CC2)C1 ZINC000335703606 136334926 /nfs/dbraw/zinc/33/49/26/136334926.db2.gz YCRZKPHNBSZFKO-STQMWFEESA-N 2 0 208.349 1.813 20 0 BDADRP Cc1c[nH+]ccc1N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000335714711 136338509 /nfs/dbraw/zinc/33/85/09/136338509.db2.gz KAOGEHBDOFFULL-CQSZACIVSA-N 2 0 231.343 1.922 20 0 BDADRP CC(C)[C@@H](O)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000335718505 136340513 /nfs/dbraw/zinc/34/05/13/136340513.db2.gz PUHRSNUIIOJHQP-ZDUSSCGKSA-N 2 0 240.391 1.564 20 0 BDADRP C[C@H]1C[C@@H]1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000349335241 136342218 /nfs/dbraw/zinc/34/22/18/136342218.db2.gz UIMYUCNJISLLNC-UONOGXRCSA-N 2 0 239.407 1.212 20 0 BDADRP C[N@H+](C[C@@H]1CCCOC1)CC(C)(C)C[NH3+] ZINC000082545353 343447299 /nfs/dbraw/zinc/44/72/99/343447299.db2.gz HCIPTUWNFSNUPE-NSHDSACASA-N 2 0 214.353 1.330 20 0 BDADRP CC(C)([NH3+])CNC[C@H]([NH3+])c1ccccc1 ZINC000576992573 365746089 /nfs/dbraw/zinc/74/60/89/365746089.db2.gz ULTHBOMLENPXKP-NSHDSACASA-N 2 0 207.321 1.013 20 0 BDADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]([NH3+])c1ccc(C)cc1 ZINC000262674893 136374695 /nfs/dbraw/zinc/37/46/95/136374695.db2.gz TVKFVJONCUNQFC-YPMHNXCESA-N 2 0 249.358 1.109 20 0 BDADRP CC[N@H+](C)C[C@@H](O)CN1CC(C)(C)[C@H]1C1CC1 ZINC000570060689 323048945 /nfs/dbraw/zinc/04/89/45/323048945.db2.gz OHIXZIUWJZLTHL-CHWSQXEVSA-N 2 0 240.391 1.419 20 0 BDADRP COCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250180788 536894410 /nfs/dbraw/zinc/89/44/10/536894410.db2.gz VNEKBSMVTMNSOX-QJPTWQEYSA-N 2 0 212.337 1.143 20 0 BDADRP COc1ccc(C[NH2+][C@@H](C)CC[NH3+])cc1OC ZINC000136138759 536895920 /nfs/dbraw/zinc/89/59/20/536895920.db2.gz IFHQGMAQGPTELH-JTQLQIEISA-N 2 0 238.331 1.531 20 0 BDADRP COC[C@@]1(C)CC[N@H+](Cc2cnc(C)n2C)C1 ZINC000668203372 488223441 /nfs/dbraw/zinc/22/34/41/488223441.db2.gz GQLLEDSFFMHOJC-ZDUSSCGKSA-N 2 0 237.347 1.587 20 0 BDADRP CCc1cc(NC[C@](C)([NH3+])COC)nc(C)n1 ZINC000272837753 537813060 /nfs/dbraw/zinc/81/30/60/537813060.db2.gz HWUHIHSZIQVASM-LBPRGKRZSA-N 2 0 238.335 1.123 20 0 BDADRP Cc1ccc(C[NH2+][C@H](C)CCCC[NH3+])cn1 ZINC000336666670 178629213 /nfs/dbraw/zinc/62/92/13/178629213.db2.gz PXXNLDDRDJNUBM-LLVKDONJSA-N 2 0 221.348 1.997 20 0 BDADRP CC(C)[C@@H](C[NH3+])C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733534 344113120 /nfs/dbraw/zinc/11/31/20/344113120.db2.gz HMUPIXVRVMAEJG-QWHCGFSZSA-N 3 0 241.423 1.585 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733775 344113870 /nfs/dbraw/zinc/11/38/70/344113870.db2.gz NOEDNZLXFLKUMX-CHWSQXEVSA-N 2 0 241.423 1.728 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCOc2ccccc2)C1 ZINC000093215580 344312577 /nfs/dbraw/zinc/31/25/77/344312577.db2.gz NGUVXYXLLWIWLO-CHWSQXEVSA-N 2 0 234.343 1.925 20 0 BDADRP COC(=O)CCCC[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000600708211 344360790 /nfs/dbraw/zinc/36/07/90/344360790.db2.gz DOAJRFRZNZYDBU-RYUDHWBXSA-N 2 0 242.363 1.246 20 0 BDADRP COC(=O)CCCC[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000600708730 344361113 /nfs/dbraw/zinc/36/11/13/344361113.db2.gz FNUOSYFHQNXUDQ-NSHDSACASA-N 2 0 242.363 1.307 20 0 BDADRP COC(=O)CCCC[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000600712513 344361592 /nfs/dbraw/zinc/36/15/92/344361592.db2.gz XSYCTHCLANPDNO-WDEREUQCSA-N 2 0 228.336 1.141 20 0 BDADRP Cc1ccccc1C1(CN[C@H]2CC[NH2+]C2)CC1 ZINC000215643923 344390149 /nfs/dbraw/zinc/39/01/49/344390149.db2.gz FTRAIYJCIIQBOF-ZDUSSCGKSA-N 2 0 230.355 1.978 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000566229886 344480163 /nfs/dbraw/zinc/48/01/63/344480163.db2.gz RFWCVJPKNKYZSB-ZJUUUORDSA-N 2 0 232.331 1.778 20 0 BDADRP C[C@@H]1C[C@@H](Nc2cc(CO)ccn2)CC[N@@H+]1C ZINC000641396033 362395155 /nfs/dbraw/zinc/39/51/55/362395155.db2.gz ICPIIZGQQSQNEF-PWSUYJOCSA-N 2 0 235.331 1.469 20 0 BDADRP [NH3+][C@@H]1C[C@@H]1c1nc(C2([NH3+])CCCCC2)no1 ZINC000573793599 344518399 /nfs/dbraw/zinc/51/83/99/344518399.db2.gz AFWWHJPNWYAZAP-JGVFFNPUSA-N 2 0 222.292 1.002 20 0 BDADRP CN(C)c1nccc(N[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000085431556 344532365 /nfs/dbraw/zinc/53/23/65/344532365.db2.gz CFJKRGRZTCGQLH-SNVBAGLBSA-N 2 0 247.346 1.191 20 0 BDADRP C[C@H](O)CC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000044170029 344536758 /nfs/dbraw/zinc/53/67/58/344536758.db2.gz PENJOAJZSVCHEK-NSHDSACASA-N 2 0 214.353 1.031 20 0 BDADRP C1CSC[C@@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC000220667038 344564625 /nfs/dbraw/zinc/56/46/25/344564625.db2.gz VAUKLAKFXANNHJ-JTQLQIEISA-N 2 0 200.351 1.224 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(C)cc1 ZINC000414847935 529998715 /nfs/dbraw/zinc/99/87/15/529998715.db2.gz WLLODYFABWOFDM-LBPRGKRZSA-N 2 0 206.333 1.940 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000388723275 347057508 /nfs/dbraw/zinc/05/75/08/347057508.db2.gz AVMXVTPAIPPHJI-AGIUHOORSA-N 2 0 228.380 1.909 20 0 BDADRP Cc1csc(CNCCC[NH2+]C2CC2)n1 ZINC000049539164 344651733 /nfs/dbraw/zinc/65/17/33/344651733.db2.gz ZLEQHAATBGTECP-UHFFFAOYSA-N 2 0 225.361 1.683 20 0 BDADRP CSCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128043414 344725179 /nfs/dbraw/zinc/72/51/79/344725179.db2.gz UDCNLRBJXQEVKE-GHMZBOCLSA-N 2 0 214.378 1.566 20 0 BDADRP Cc1cnc(CC[NH2+][C@H]2CCCC[C@H]2C[NH3+])nc1 ZINC000578231070 344737227 /nfs/dbraw/zinc/73/72/27/344737227.db2.gz AEDQRHWVDJWZBH-STQMWFEESA-N 2 0 248.374 1.435 20 0 BDADRP Cc1cnc(CC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])nc1 ZINC000578231069 344737627 /nfs/dbraw/zinc/73/76/27/344737627.db2.gz AEDQRHWVDJWZBH-QWHCGFSZSA-N 2 0 248.374 1.435 20 0 BDADRP CC[NH+](CC)CCCN1CCCC[C@@H]1CC[NH3+] ZINC000075924726 344788322 /nfs/dbraw/zinc/78/83/22/344788322.db2.gz YHYXBJZHOMQRSD-CQSZACIVSA-N 3 0 241.423 1.922 20 0 BDADRP Cn1cncc1CCC[N@H+](CCO)CC1CC1 ZINC000583389859 344875027 /nfs/dbraw/zinc/87/50/27/344875027.db2.gz YLVDGNCNYZQLOP-UHFFFAOYSA-N 2 0 237.347 1.057 20 0 BDADRP CCCC[C@H](C)[NH2+]C[C@H]1CNCCO1 ZINC000050890003 345024726 /nfs/dbraw/zinc/02/47/26/345024726.db2.gz RCYQSUJNGNXFOD-WDEREUQCSA-N 2 0 200.326 1.143 20 0 BDADRP CC[C@H](C)[C@H]([NH3+])C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000155246663 345074782 /nfs/dbraw/zinc/07/47/82/345074782.db2.gz ZMMVEMSHDVWMIW-TUAOUCFPSA-N 2 0 243.395 1.192 20 0 BDADRP COC[C@H](C)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156074729 345123653 /nfs/dbraw/zinc/12/36/53/345123653.db2.gz SROXFHWZBBOLIB-FRRDWIJNSA-N 2 0 226.364 1.485 20 0 BDADRP CC[NH+]1CCC([NH2+]CC[C@H](C)CCO)CC1 ZINC000397606540 323083611 /nfs/dbraw/zinc/08/36/11/323083611.db2.gz ASSVEMUBYXQPLL-LBPRGKRZSA-N 2 0 228.380 1.469 20 0 BDADRP c1ccc(COCC[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000390224138 259382560 /nfs/dbraw/zinc/38/25/60/259382560.db2.gz AYEOAQMTRNQNMK-HNNXBMFYSA-N 2 0 248.370 1.935 20 0 BDADRP C(N1CCC[C@H]([C@H]2CCC[NH2+]2)C1)C12CC(C1)C[NH2+]2 ZINC000634991234 345174093 /nfs/dbraw/zinc/17/40/93/345174093.db2.gz VOINAGPZTIIZRU-RAFNIBEQSA-N 2 0 249.402 1.202 20 0 BDADRP CC[NH2+]CC1CC[NH+](C[C@@H](C[NH3+])C(C)C)CC1 ZINC000634991499 345177483 /nfs/dbraw/zinc/17/74/83/345177483.db2.gz GWNUMIKLROMABR-CQSZACIVSA-N 3 0 241.423 1.539 20 0 BDADRP CC(C)[C@H]([NH3+])CCNC[C@@H](C[NH3+])C(C)C ZINC000634996607 345190450 /nfs/dbraw/zinc/19/04/50/345190450.db2.gz PEBRTNNOTJPJAA-VXGBXAGGSA-N 2 0 215.385 1.180 20 0 BDADRP C(N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)C12CC(C1)C[NH2+]2 ZINC000634994491 345182030 /nfs/dbraw/zinc/18/20/30/345182030.db2.gz FIJOFXZYFPUDMN-RAFNIBEQSA-N 2 0 249.402 1.060 20 0 BDADRP Cc1cccc(CCNCC23CC(C2)C[NH2+]3)n1 ZINC000634996842 345184225 /nfs/dbraw/zinc/18/42/25/345184225.db2.gz WWJYLAJEYBQLHB-UHFFFAOYSA-N 2 0 231.343 1.274 20 0 BDADRP c1ccc2c(c1)C[C@@H](NCC13CC(C1)C[NH2+]3)CO2 ZINC000634995311 345184502 /nfs/dbraw/zinc/18/45/02/345184502.db2.gz AKOGZTBUDSTQCU-GLWUULTISA-N 2 0 244.338 1.332 20 0 BDADRP C[C@@H]1C[C@H](C)N(CC23CC(C2)C[NH2+]3)C[C@H]1C[NH3+] ZINC000634996915 345186678 /nfs/dbraw/zinc/18/66/78/345186678.db2.gz YVIZSUAACNTLDI-NFMDPKQHSA-N 2 0 237.391 1.044 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+]C[C@H](C[NH3+])C(C)C ZINC000634996253 345187726 /nfs/dbraw/zinc/18/77/26/345187726.db2.gz DUNXGQMJKAGWNN-HNNXBMFYSA-N 2 0 249.402 1.727 20 0 BDADRP C(N[C@H]1CC[NH2+]C12CCCC2)C12CC(C1)C[NH2+]2 ZINC000634996390 345187729 /nfs/dbraw/zinc/18/77/29/345187729.db2.gz INBOTNDSTCOAQN-CPCZMJQVSA-N 2 0 235.375 1.003 20 0 BDADRP C[C@@H]1CC[C@H](C)CN1CC12CC(C1)C[NH2+]2 ZINC000634992849 345188165 /nfs/dbraw/zinc/18/81/65/345188165.db2.gz DBLJXXYGANTFBT-ZFDZMSFRSA-N 2 0 208.349 1.859 20 0 BDADRP C([N@@H+]1CC[C@H]2CCC[C@@H]21)C12CC(C1)C[NH2+]2 ZINC000634994244 345192887 /nfs/dbraw/zinc/19/28/87/345192887.db2.gz WSXAYJPWMGFTFK-QBHFIFKDSA-N 2 0 206.333 1.613 20 0 BDADRP COc1ccsc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000634999516 345200046 /nfs/dbraw/zinc/20/00/46/345200046.db2.gz VUSOTKALISAHFL-VHSXEESVSA-N 2 0 240.372 1.783 20 0 BDADRP [NH3+]C1CCC([NH2+][C@@H]2CCCn3nccc32)CC1 ZINC000635001900 345203448 /nfs/dbraw/zinc/20/34/48/345203448.db2.gz IRQBMJWBJBDUSO-HTAVTVPLSA-N 2 0 234.347 1.578 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CCN1C ZINC000635007590 345206179 /nfs/dbraw/zinc/20/61/79/345206179.db2.gz RLWNHFLSUAENOE-SYQHCUMBSA-N 2 0 239.407 1.576 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000635003635 345206452 /nfs/dbraw/zinc/20/64/52/345206452.db2.gz BCSCFDHWBMKPTE-KCQAQPDRSA-N 2 0 249.402 1.662 20 0 BDADRP c1cc(C[NH2+]C2CC[NH2+]CC2)c2c(c1)C[NH2+]CC2 ZINC000635004100 345207163 /nfs/dbraw/zinc/20/71/63/345207163.db2.gz NDRBTVMYLFUNAC-UHFFFAOYSA-N 3 0 245.370 1.174 20 0 BDADRP CCC[C@@H](CCO)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000635004440 345207789 /nfs/dbraw/zinc/20/77/89/345207789.db2.gz OMFMTLJIXUQXLZ-ACJTYDJDSA-N 2 0 226.364 1.410 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635004715 345208487 /nfs/dbraw/zinc/20/84/87/345208487.db2.gz DSTLYXCGVLFLHG-OLZOCXBDSA-N 3 0 241.423 1.872 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)[C@H](C)O1 ZINC000635007864 345209366 /nfs/dbraw/zinc/20/93/66/345209366.db2.gz BNQUTHJPYFEJOW-XQHKEYJVSA-N 2 0 240.391 1.920 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@@H](C)CCCC[NH3+] ZINC000635005642 345209700 /nfs/dbraw/zinc/20/97/00/345209700.db2.gz VWPXTCMWMYBVHO-NWDGAFQWSA-N 2 0 216.369 1.645 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1cn[nH]c1 ZINC000635005868 345209821 /nfs/dbraw/zinc/20/98/21/345209821.db2.gz PSRONODAOBITDH-NHCYSSNCSA-N 2 0 222.336 1.578 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)[C@H]1CCOC1 ZINC000635006146 345210456 /nfs/dbraw/zinc/21/04/56/345210456.db2.gz LHIUXRMAALAZBD-FVCCEPFGSA-N 2 0 226.364 1.519 20 0 BDADRP CC1(C)C[NH2+]CC[C@H](N[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000635006854 345211288 /nfs/dbraw/zinc/21/12/88/345211288.db2.gz ODHLFUJAXVSAPB-SDDRHHMPSA-N 2 0 225.380 1.234 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC000635009766 345212147 /nfs/dbraw/zinc/21/21/47/345212147.db2.gz ZIIBUGMLFQVTDU-AVGNSLFASA-N 3 0 239.407 1.482 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000635010783 345212843 /nfs/dbraw/zinc/21/28/43/345212843.db2.gz BEFRGAMIYPRDBO-JQCXWYLXSA-N 2 0 222.254 1.654 20 0 BDADRP C[C@@H](CCCCO)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635012609 345214196 /nfs/dbraw/zinc/21/41/96/345214196.db2.gz UMZVBXAUEHFWPJ-STQMWFEESA-N 2 0 242.407 1.905 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccncn1 ZINC000635007640 345215059 /nfs/dbraw/zinc/21/50/59/345215059.db2.gz WPZUKFNEEWGWSQ-SRVKXCTJSA-N 2 0 234.347 1.645 20 0 BDADRP COCCC[C@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635008835 345216884 /nfs/dbraw/zinc/21/68/84/345216884.db2.gz VSRPWDQNHPFARY-AVGNSLFASA-N 2 0 228.380 1.909 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)C1 ZINC000635013095 345217597 /nfs/dbraw/zinc/21/75/97/345217597.db2.gz QNSQKYPMLTXMOQ-FNCVBFRFSA-N 2 0 222.254 1.797 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc2c1CCOC2 ZINC000635014206 345219114 /nfs/dbraw/zinc/21/91/14/345219114.db2.gz ZBVJFMAKRVCPKK-RYUDHWBXSA-N 2 0 248.370 1.975 20 0 BDADRP c1coc(CC[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000168718609 345380280 /nfs/dbraw/zinc/38/02/80/345380280.db2.gz ARMHJSKVYPOPCA-LLVKDONJSA-N 2 0 208.305 1.554 20 0 BDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H]([NH3+])C(C)C ZINC000449125566 201815164 /nfs/dbraw/zinc/81/51/64/201815164.db2.gz RHRROBOCDAMMMO-WDEREUQCSA-N 2 0 243.395 1.110 20 0 BDADRP Cn1ccnc1N1CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000089926896 345566168 /nfs/dbraw/zinc/56/61/68/345566168.db2.gz XDFOIJIPBOYXMP-ZDUSSCGKSA-N 2 0 246.358 1.651 20 0 BDADRP CC(C)(C)[NH2+]CCNCc1ccc(C[NH3+])cc1 ZINC000563135138 323094582 /nfs/dbraw/zinc/09/45/82/323094582.db2.gz HCPUCIUFHZJEGQ-UHFFFAOYSA-N 2 0 235.375 1.623 20 0 BDADRP CC(C)C[C@H]([NH3+])c1noc(CCC[NH3+])n1 ZINC000381408934 345809422 /nfs/dbraw/zinc/80/94/22/345809422.db2.gz SDPLSCYHIMFQCI-QMMMGPOBSA-N 2 0 212.297 1.007 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000164454157 133578373 /nfs/dbraw/zinc/57/83/73/133578373.db2.gz RWLBRHLFSADBKK-NNYUYHANSA-N 2 0 214.353 1.253 20 0 BDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@@H](C)[NH+](C)C ZINC000635948057 346120796 /nfs/dbraw/zinc/12/07/96/346120796.db2.gz QCOHQVVKDPGAHE-VXGBXAGGSA-N 2 0 243.395 1.173 20 0 BDADRP C[NH2+]CC1CC[NH+](C[C@@H]2CC[C@H](C)O2)CC1 ZINC000149755427 346152002 /nfs/dbraw/zinc/15/20/02/346152002.db2.gz FYDHYOZEIXARIG-AAEUAGOBSA-N 2 0 226.364 1.485 20 0 BDADRP CSCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000309084466 349947623 /nfs/dbraw/zinc/94/76/23/349947623.db2.gz VKPDNIXMMFDQBW-UTUOFQBUSA-N 2 0 228.405 1.812 20 0 BDADRP CSCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000309084465 349947108 /nfs/dbraw/zinc/94/71/08/349947108.db2.gz VKPDNIXMMFDQBW-TUAOUCFPSA-N 2 0 228.405 1.812 20 0 BDADRP CCN(CCO)CC[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC000641748683 362677688 /nfs/dbraw/zinc/67/76/88/362677688.db2.gz RNJKQDKMZHMVGP-ZIAGYGMSSA-N 2 0 242.407 1.859 20 0 BDADRP Cc1c[nH]c(CN(C)CCCn2ccnc2C)n1 ZINC000628280257 346290788 /nfs/dbraw/zinc/29/07/88/346290788.db2.gz XTDDQOFHANQQLO-UHFFFAOYSA-N 2 0 247.346 1.745 20 0 BDADRP COC1(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)CCCC1 ZINC000381604581 346416871 /nfs/dbraw/zinc/41/68/71/346416871.db2.gz PMZFXKROUKRXCD-NEPJUHHUSA-N 2 0 226.364 1.533 20 0 BDADRP c1n[nH]cc1CC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000641798591 362744793 /nfs/dbraw/zinc/74/47/93/362744793.db2.gz JXHRPMVJFAUMLK-ZIAGYGMSSA-N 2 0 248.374 1.274 20 0 BDADRP CCc1nc(C)c(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)o1 ZINC000641799666 362747868 /nfs/dbraw/zinc/74/78/68/362747868.db2.gz YTUKYOOIXBYMDE-ONGXEEELSA-N 2 0 237.347 1.715 20 0 BDADRP [NH3+]C[C@@H](N[C@H]1CCC[NH2+]CC1)C1CCCC1 ZINC000333177618 537981391 /nfs/dbraw/zinc/98/13/91/537981391.db2.gz RFBLVVGHDJVAGF-QWHCGFSZSA-N 2 0 225.380 1.236 20 0 BDADRP CC[C@H](O)[C@H](CC)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000577094464 365813793 /nfs/dbraw/zinc/81/37/93/365813793.db2.gz GJXWKXCYCLXKDQ-NDBYEHHHSA-N 2 0 228.380 1.514 20 0 BDADRP C[C@H](O)[C@H](C)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000580829356 346473346 /nfs/dbraw/zinc/47/33/46/346473346.db2.gz AEOUIGPDYCSBTA-RYUDHWBXSA-N 2 0 228.380 1.467 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCO[C@H]1CC1(F)F ZINC000641800729 362753341 /nfs/dbraw/zinc/75/33/41/362753341.db2.gz DRYMJTKGJHAKMM-VGMNWLOBSA-N 2 0 234.290 1.126 20 0 BDADRP Cc1cc(C)n(CC[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)n1 ZINC000641800802 362753386 /nfs/dbraw/zinc/75/33/86/362753386.db2.gz GFPMJTOBFQAHOM-NEPJUHHUSA-N 2 0 236.363 1.215 20 0 BDADRP CCn1nccc1CC[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641800781 362753502 /nfs/dbraw/zinc/75/35/02/362753502.db2.gz FWJVJBDWMOMYKP-NWDGAFQWSA-N 2 0 236.363 1.161 20 0 BDADRP C[NH2+]CCC[NH+]1C[C@H](C)S[C@@H](C)C1 ZINC000069909112 349968107 /nfs/dbraw/zinc/96/81/07/349968107.db2.gz RNOIVQBLAYNOKN-UWVGGRQHSA-N 2 0 202.367 1.422 20 0 BDADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)[C@H]1CCCO1 ZINC000580196703 346652550 /nfs/dbraw/zinc/65/25/50/346652550.db2.gz ZFCWIMFPMBIPKM-BXUZGUMPSA-N 2 0 234.343 1.802 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccc(C[NH3+])cc1 ZINC000571089339 323135398 /nfs/dbraw/zinc/13/53/98/323135398.db2.gz RSORCPMLGBYZCR-UWVGGRQHSA-N 2 0 235.331 1.001 20 0 BDADRP Cc1cccc(OCC[N@@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000042896934 179166858 /nfs/dbraw/zinc/16/68/58/179166858.db2.gz HZWVEZZJQQWAOQ-ZDUSSCGKSA-N 2 0 234.343 1.654 20 0 BDADRP C[N@@H+]1CCC[C@H](N[C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000250603039 537987081 /nfs/dbraw/zinc/98/70/81/537987081.db2.gz KOMYMQCDAUTKKJ-MELADBBJSA-N 2 0 237.391 1.297 20 0 BDADRP CO[C@@H]([C@@H](C)[NH2+][C@H](C)CCCC[NH3+])C1CC1 ZINC000388230113 347251410 /nfs/dbraw/zinc/25/14/10/347251410.db2.gz MAGZZGRSRLITPY-WZRBSPASSA-N 2 0 228.380 1.907 20 0 BDADRP CCOC(=O)CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601333184 347225033 /nfs/dbraw/zinc/22/50/33/347225033.db2.gz CCNZNHYPWJPLMW-NEPJUHHUSA-N 2 0 240.347 1.014 20 0 BDADRP CCOC(=O)CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601333187 347225551 /nfs/dbraw/zinc/22/55/51/347225551.db2.gz CCNZNHYPWJPLMW-VXGBXAGGSA-N 2 0 240.347 1.014 20 0 BDADRP C[N@H+]1C[C@H]2CN(CCc3ccccc3F)C[C@H]2C1 ZINC000193631489 347400625 /nfs/dbraw/zinc/40/06/25/347400625.db2.gz AZCADCQXNLWDMS-OKILXGFUSA-N 2 0 248.345 1.862 20 0 BDADRP [NH3+][C@H]1C[C@H](N[C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000333336987 537989605 /nfs/dbraw/zinc/98/96/05/537989605.db2.gz XGXLMGXNMSKJDI-SWHYSGLUSA-N 2 0 231.343 1.473 20 0 BDADRP C[NH2+]CC1CC[NH+](C[C@H]2CC[C@@H](C)O2)CC1 ZINC000149754866 347510000 /nfs/dbraw/zinc/51/00/00/347510000.db2.gz FYDHYOZEIXARIG-DGCLKSJQSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1CC[C@H](C[NH+]2CCC(CC[NH3+])CC2)O1 ZINC000149767846 347514160 /nfs/dbraw/zinc/51/41/60/347514160.db2.gz GVVHWVVORQGELP-DGCLKSJQSA-N 2 0 226.364 1.615 20 0 BDADRP Cc1cc(CNCC2=CC[N@H+](C)CC2)on1 ZINC000392283791 347524234 /nfs/dbraw/zinc/52/42/34/347524234.db2.gz LNRDQOJUMYDEAW-UHFFFAOYSA-N 2 0 221.304 1.335 20 0 BDADRP c1cnn(CCCCC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000591373868 347649803 /nfs/dbraw/zinc/64/98/03/347649803.db2.gz HBHUNXIJXFGNDX-ZIAGYGMSSA-N 2 0 248.374 1.205 20 0 BDADRP CC[C@@H](C)[C@@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000319569889 259398454 /nfs/dbraw/zinc/39/84/54/259398454.db2.gz QSZAVRBNYPCTIU-CHWSQXEVSA-N 2 0 227.396 1.306 20 0 BDADRP COCC1(C[NH2+][C@H](C)C(C)C)CC[NH2+]CC1 ZINC000319603215 259399698 /nfs/dbraw/zinc/39/96/98/259399698.db2.gz WJRNKDPDCRDILL-GFCCVEGCSA-N 2 0 228.380 1.637 20 0 BDADRP Cc1ccccc1[C@@H]1CC[N@H+](CCOCC[NH3+])C1 ZINC000357069125 179328702 /nfs/dbraw/zinc/32/87/02/179328702.db2.gz HGLMAIYPYRZMNQ-CQSZACIVSA-N 2 0 248.370 1.760 20 0 BDADRP Cc1ncsc1CN(C)C[C@H]1CCC[NH2+]C1 ZINC000082633132 348199200 /nfs/dbraw/zinc/19/92/00/348199200.db2.gz HLELQJCMZXYVOB-NSHDSACASA-N 2 0 239.388 1.883 20 0 BDADRP Cc1cccnc1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000162193867 179376459 /nfs/dbraw/zinc/37/64/59/179376459.db2.gz YLUCQRRMZFQBLQ-NEPJUHHUSA-N 2 0 219.332 1.559 20 0 BDADRP CC[C@H](C[N@H+](C)CCC[NH+]1CCCC1)OC ZINC000419288913 192117822 /nfs/dbraw/zinc/11/78/22/192117822.db2.gz IIJOQVOJCSPJOF-CYBMUJFWSA-N 2 0 228.380 1.829 20 0 BDADRP CC[C@@H](C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)OC ZINC000419288402 192117906 /nfs/dbraw/zinc/11/79/06/192117906.db2.gz PNFQDAUKDOYBKZ-KBPBESRZSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@H]2CCCCO2)C1 ZINC000251612690 362891857 /nfs/dbraw/zinc/89/18/57/362891857.db2.gz PURVJFXYJLCJNY-RWMBFGLXSA-N 2 0 226.364 1.615 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@H]2CCCCO2)C1 ZINC000251612691 362891983 /nfs/dbraw/zinc/89/19/83/362891983.db2.gz PURVJFXYJLCJNY-YNEHKIRRSA-N 2 0 226.364 1.615 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+]CCn2ccnc2)C1 ZINC000069847688 490186841 /nfs/dbraw/zinc/18/68/41/490186841.db2.gz SISMJBOIDABEKN-VXGBXAGGSA-N 2 0 223.320 1.430 20 0 BDADRP CCOC[C@@H](C)[NH2+]CCN1CC[C@H](C)C1 ZINC000309034815 323197366 /nfs/dbraw/zinc/19/73/66/323197366.db2.gz HNKWPTPBPKNUEW-NWDGAFQWSA-N 2 0 214.353 1.343 20 0 BDADRP C[C@@H](C[NH2+][C@@H]1CCCOC1)C[NH+]1CCCC1 ZINC000070014400 490197303 /nfs/dbraw/zinc/19/73/03/490197303.db2.gz SBQDHMBBGMFBIR-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCOC2)C1 ZINC000250636407 349177904 /nfs/dbraw/zinc/17/79/04/349177904.db2.gz FXCDOONSAHOQKH-UTUOFQBUSA-N 2 0 212.337 1.273 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]CCC[NH+](C)C)C1(C)C ZINC000082922701 349183668 /nfs/dbraw/zinc/18/36/68/349183668.db2.gz QINSXOSXGJQOBP-VXGBXAGGSA-N 2 0 228.380 1.731 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000250224802 349168652 /nfs/dbraw/zinc/16/86/52/349168652.db2.gz FIERLNXUEIDLDO-CRWXNKLISA-N 2 0 240.391 1.874 20 0 BDADRP FC(F)COCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400942551 538034303 /nfs/dbraw/zinc/03/43/03/538034303.db2.gz DHHDLOWAEAMTNV-GARJFASQSA-N 2 0 248.317 1.246 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CC[C@H]2CCCO2)C1 ZINC000252768816 349213875 /nfs/dbraw/zinc/21/38/75/349213875.db2.gz HFNDQTUVSPPCSD-SDDRHHMPSA-N 2 0 212.337 1.225 20 0 BDADRP CC(C)[C@](C)(O)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000309016425 349304862 /nfs/dbraw/zinc/30/48/62/349304862.db2.gz ZRWJCDYEQPNFGU-SDDRHHMPSA-N 2 0 214.353 1.253 20 0 BDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C[C@H]1C[C@H]1C ZINC000668475178 490273634 /nfs/dbraw/zinc/27/36/34/490273634.db2.gz NGGMQTMJEHTXDH-HZSPNIEDSA-N 2 0 241.423 1.504 20 0 BDADRP COC(=O)C(C)(C)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000304343438 350154623 /nfs/dbraw/zinc/15/46/23/350154623.db2.gz BQQFGRGAZNSMBA-ZJUUUORDSA-N 2 0 228.336 1.045 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOC2)[C@H](C)C1 ZINC000133048186 191036730 /nfs/dbraw/zinc/03/67/30/191036730.db2.gz ZXVVOTLLGNNSHJ-UTUOFQBUSA-N 2 0 212.337 1.095 20 0 BDADRP CC(C)C[C@](C)(C[NH3+])NC(=O)CC1([NH3+])CCC1 ZINC000669511465 490397765 /nfs/dbraw/zinc/39/77/65/490397765.db2.gz JQPRHDHZOXXOQZ-GFCCVEGCSA-N 2 0 241.379 1.138 20 0 BDADRP CCOCCCN1CCC[C@H]1C[NH2+]C ZINC000083551623 350240482 /nfs/dbraw/zinc/24/04/82/350240482.db2.gz PGRSYPJQIAQLKF-NSHDSACASA-N 2 0 200.326 1.097 20 0 BDADRP COCCCCC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000428995481 191087229 /nfs/dbraw/zinc/08/72/29/191087229.db2.gz HHWDWDFIKKZGPA-AWEZNQCLSA-N 2 0 240.391 1.831 20 0 BDADRP CC(C)[C@@H](O)CC[NH2+][C@H](C)CCCC[NH3+] ZINC000422776772 192462856 /nfs/dbraw/zinc/46/28/56/192462856.db2.gz DKEZJHPSDITNMF-NEPJUHHUSA-N 2 0 216.369 1.501 20 0 BDADRP CSC[C@@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422757329 192456841 /nfs/dbraw/zinc/45/68/41/192456841.db2.gz MLGJKIBAWCXKRS-KPPDAEKUSA-N 2 0 216.394 1.845 20 0 BDADRP Cc1ncsc1CC[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000122360877 180309328 /nfs/dbraw/zinc/30/93/28/180309328.db2.gz SXLOFNQZYGEJKN-GXSJLCMTSA-N 2 0 239.388 1.663 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623537065 362955440 /nfs/dbraw/zinc/95/54/40/362955440.db2.gz LZFXJRCYXWVPIZ-CHWSQXEVSA-N 2 0 242.407 1.857 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](C[C@H]2CCCC[C@H]2O)C1 ZINC000328174743 350375102 /nfs/dbraw/zinc/37/51/02/350375102.db2.gz KYHARASYVSUEKO-YNEHKIRRSA-N 2 0 226.364 1.208 20 0 BDADRP Cc1nn(C)c(C)c1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000092324897 180341528 /nfs/dbraw/zinc/34/15/28/180341528.db2.gz SPBHIAQCMFLOIN-YPMHNXCESA-N 2 0 236.363 1.254 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)CCO1 ZINC000069890706 350438620 /nfs/dbraw/zinc/43/86/20/350438620.db2.gz SSDAACSAHRBDOH-NEPJUHHUSA-N 2 0 214.353 1.485 20 0 BDADRP CCCC[N@H+](C)CCN[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000163507231 350524368 /nfs/dbraw/zinc/52/43/68/350524368.db2.gz FNXOYGHNRCRIGF-UONOGXRCSA-N 2 0 241.423 1.648 20 0 BDADRP CC[C@H](COC)[NH2+]CC1CC[NH+](C)CC1 ZINC000070624296 350554391 /nfs/dbraw/zinc/55/43/91/350554391.db2.gz JBPDHGZBILACBC-GFCCVEGCSA-N 2 0 214.353 1.343 20 0 BDADRP C[N@H+](Cc1ccc2c(c1)CCO2)C1CC([NH3+])C1 ZINC000384875230 350608988 /nfs/dbraw/zinc/60/89/88/350608988.db2.gz PMMKBHBBUSSIFL-UHFFFAOYSA-N 2 0 232.327 1.543 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@H]2CCCCO2)CC[C@H]1[NH3+] ZINC000251849882 350904662 /nfs/dbraw/zinc/90/46/62/350904662.db2.gz RQJPNEJGEHXPIN-JHJVBQTASA-N 2 0 226.364 1.615 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@H]2CC[C@@H](C)O2)C1 ZINC000251925670 362987962 /nfs/dbraw/zinc/98/79/62/362987962.db2.gz UXPSDSKJQIYQHK-YVECIDJPSA-N 2 0 226.364 1.613 20 0 BDADRP Cc1cnccc1C[NH2+][C@@H](C)CCC[NH3+] ZINC000379854582 350913245 /nfs/dbraw/zinc/91/32/45/350913245.db2.gz BKJFJOGPQDIHOK-NSHDSACASA-N 2 0 207.321 1.607 20 0 BDADRP CC[NH2+]CCNC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000571639844 351166656 /nfs/dbraw/zinc/16/66/56/351166656.db2.gz KINDWLQZZOLFGZ-SNVBAGLBSA-N 2 0 235.331 1.046 20 0 BDADRP CC[C@@H]([NH3+])C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000572517197 363058224 /nfs/dbraw/zinc/05/82/24/363058224.db2.gz FQMTYTKTCGXEMK-IJLUTSLNSA-N 2 0 241.379 1.103 20 0 BDADRP CC[NH2+][C@@H](C)C(=O)Nc1cccc(C[NH3+])c1 ZINC000637801685 351632709 /nfs/dbraw/zinc/63/27/09/351632709.db2.gz NWBNBHNVPAJUHL-VIFPVBQESA-N 2 0 221.304 1.082 20 0 BDADRP C[N@@H+]1CC[C@@H](CC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000637802310 351634577 /nfs/dbraw/zinc/63/45/77/351634577.db2.gz UJHKSRCTAJGDSF-LBPRGKRZSA-N 2 0 247.342 1.426 20 0 BDADRP CC[NH2+][C@@H](C)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000637809326 351646285 /nfs/dbraw/zinc/64/62/85/351646285.db2.gz PSFFWOHWFSTUFF-JTQLQIEISA-N 2 0 235.331 1.343 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)N1CCCC[C@H]1C[NH3+] ZINC000637816455 351656015 /nfs/dbraw/zinc/65/60/15/351656015.db2.gz LWPBXQYHLYOOMB-RYUDHWBXSA-N 2 0 241.379 1.090 20 0 BDADRP C[C@@H]1C[C@@H](C[N@H+](C)Cc2cnc[nH]2)CC[NH2+]1 ZINC000577650097 366032107 /nfs/dbraw/zinc/03/21/07/366032107.db2.gz CVXQLJAODDJINR-MNOVXSKESA-N 2 0 222.336 1.230 20 0 BDADRP CC(C)[NH2+]CCCN[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000577739712 366047246 /nfs/dbraw/zinc/04/72/46/366047246.db2.gz BSBUZMDSRFMCHE-CHWSQXEVSA-N 3 0 227.396 1.304 20 0 BDADRP CC(C)[NH2+]CCCN[C@H]1CC[N@H+](C)C[C@H]1C ZINC000577739713 366048134 /nfs/dbraw/zinc/04/81/34/366048134.db2.gz BSBUZMDSRFMCHE-OLZOCXBDSA-N 3 0 227.396 1.304 20 0 BDADRP CC(C)[C@H]([NH3+])CNC(=O)C[N@H+](C)CC(C)(C)C ZINC000637849110 351706632 /nfs/dbraw/zinc/70/66/32/351706632.db2.gz MSKBSRWVVUDUQP-LLVKDONJSA-N 2 0 243.395 1.064 20 0 BDADRP CC[NH2+]CCC[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000577720046 366042854 /nfs/dbraw/zinc/04/28/54/366042854.db2.gz NQMJWRRYHUPAGA-RYUDHWBXSA-N 2 0 214.353 1.391 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+][C@@H]2CCCC(F)(F)[C@H]2O)C1 ZINC000577768958 366056081 /nfs/dbraw/zinc/05/60/81/366056081.db2.gz YIHUKHSDVVNEDN-ZDCRXTMVSA-N 2 0 248.317 1.395 20 0 BDADRP C[N@@H+](Cc1ccc(=O)[nH]c1)C[C@@H]1CCC[NH+](C)C1 ZINC000637930457 351807128 /nfs/dbraw/zinc/80/71/28/351807128.db2.gz NWYBSIXNSNNPSF-CYBMUJFWSA-N 2 0 249.358 1.561 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)NCC(C)(C)[NH+](C)C ZINC000638049755 351927278 /nfs/dbraw/zinc/92/72/78/351927278.db2.gz HIZWVJOIZYORDM-NSHDSACASA-N 2 0 243.395 1.206 20 0 BDADRP C(C1CCSCC1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000638186353 352052313 /nfs/dbraw/zinc/05/23/13/352052313.db2.gz RJWFVRKTRXBUIS-TXEJJXNPSA-N 2 0 226.389 1.281 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)NC1(C)CC[NH2+]CC1 ZINC000638202601 352064521 /nfs/dbraw/zinc/06/45/21/352064521.db2.gz ATHJSGMRQGESIM-NSHDSACASA-N 2 0 241.379 1.008 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)CCC2C[NH2+]C2)cc1 ZINC000638254358 352097445 /nfs/dbraw/zinc/09/74/45/352097445.db2.gz DNPLYNUNVMPKBD-UHFFFAOYSA-N 2 0 247.342 1.344 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)C2=CC[C@@H]([NH3+])C2)cc1 ZINC000638254880 352098040 /nfs/dbraw/zinc/09/80/40/352098040.db2.gz HOWSBOBSTPYPGT-GFCCVEGCSA-N 2 0 245.326 1.392 20 0 BDADRP C(C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)C[C@@H]1CCO1 ZINC000638360162 352171029 /nfs/dbraw/zinc/17/10/29/352171029.db2.gz TXJUTENOUKXDMS-TZMCWYRMSA-N 2 0 238.375 1.629 20 0 BDADRP C(C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)C[C@@H]1CCO1 ZINC000638360154 352171050 /nfs/dbraw/zinc/17/10/50/352171050.db2.gz TXJUTENOUKXDMS-GXTWGEPZSA-N 2 0 238.375 1.629 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000638365238 352176166 /nfs/dbraw/zinc/17/61/66/352176166.db2.gz WJZNSZHSKMQVJL-GRYCIOLGSA-N 2 0 241.379 1.136 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2cnccn2)C1 ZINC000638380593 352191105 /nfs/dbraw/zinc/19/11/05/352191105.db2.gz CUGWDZKMEDRHHV-OLZOCXBDSA-N 2 0 248.374 1.339 20 0 BDADRP CC(C)COCC[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000261530960 535176754 /nfs/dbraw/zinc/17/67/54/535176754.db2.gz DQZMEJYTCNNYNW-RYUDHWBXSA-N 2 0 214.353 1.328 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH2+]CCC[C@H]2CCO2)C1 ZINC000638588777 352419878 /nfs/dbraw/zinc/41/98/78/352419878.db2.gz NNDMZKJBMHYNQB-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP CC(C)[C@@H](CCO)[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000227009413 535181649 /nfs/dbraw/zinc/18/16/49/535181649.db2.gz UZRAMLJYSGQYOL-UONOGXRCSA-N 2 0 242.407 1.857 20 0 BDADRP CCCCOCC[NH2+][C@H]1CN(C)C[C@H]1C ZINC000336743132 352487654 /nfs/dbraw/zinc/48/76/54/352487654.db2.gz XQTZNADFHUDBSW-NEPJUHHUSA-N 2 0 214.353 1.343 20 0 BDADRP CC(C)([NH3+])CN1CCC([NH+]2CCCCC2)CC1 ZINC000040926097 352600525 /nfs/dbraw/zinc/60/05/25/352600525.db2.gz IMHRXHMPRNDRNE-UHFFFAOYSA-N 2 0 239.407 1.674 20 0 BDADRP C[NH+](C)[C@@H](CN[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000043324444 352636654 /nfs/dbraw/zinc/63/66/54/352636654.db2.gz TXWNOZZPSONKDV-GJZGRUSLSA-N 2 0 247.386 1.631 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000334270932 352907761 /nfs/dbraw/zinc/90/77/61/352907761.db2.gz GFLGTORCKJUTRT-KGLIPLIRSA-N 2 0 239.407 1.353 20 0 BDADRP CC(C)C[C@@H]([NH3+])C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638821818 353002674 /nfs/dbraw/zinc/00/26/74/353002674.db2.gz BAVFJDBYCLSUFZ-NWDGAFQWSA-N 2 0 241.379 1.090 20 0 BDADRP C[C@@H]1CCN(CC[NH2+][C@H]2CS[C@@H](C)C2)C1 ZINC000638870638 353043086 /nfs/dbraw/zinc/04/30/86/353043086.db2.gz DUYYZDZBYAVQDV-GRYCIOLGSA-N 2 0 228.405 1.812 20 0 BDADRP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000398681566 353129022 /nfs/dbraw/zinc/12/90/22/353129022.db2.gz NSEZYHVSCBBCQU-FIQHERPVSA-N 2 0 214.353 1.253 20 0 BDADRP C[C@@H]([NH2+]CCC[NH3+])c1ccc2c(c1)OCCO2 ZINC000037713258 358476461 /nfs/dbraw/zinc/47/64/61/358476461.db2.gz YIROPVTXANFYGG-SNVBAGLBSA-N 2 0 236.315 1.457 20 0 BDADRP Cc1ccc(CCC[NH2+]CCC[NH+](C)C)cn1 ZINC000353918864 188234990 /nfs/dbraw/zinc/23/49/90/188234990.db2.gz USVYECSQISALRE-UHFFFAOYSA-N 2 0 235.375 1.864 20 0 BDADRP CC(C)(O)C[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000369176937 188246452 /nfs/dbraw/zinc/24/64/52/188246452.db2.gz MZZXFHULVRCYET-UHFFFAOYSA-N 2 0 240.391 1.754 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@H]2CCCC[NH+]2C)C[C@H]1O ZINC000300414640 188247744 /nfs/dbraw/zinc/24/77/44/188247744.db2.gz NSPWEFBBXKTKHM-MGPQQGTHSA-N 2 0 240.391 1.564 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000300687329 188248223 /nfs/dbraw/zinc/24/82/23/188248223.db2.gz LEGUNBJNQYZKBT-UONOGXRCSA-N 2 0 241.423 1.824 20 0 BDADRP CC(C)[C@H](C(=O)NCC[N@H+](C)C(C)C)[NH+](C)C ZINC000122210288 188250355 /nfs/dbraw/zinc/25/03/55/188250355.db2.gz XFBJUXVGMJBEBB-GFCCVEGCSA-N 2 0 243.395 1.029 20 0 BDADRP C([NH2+]C[C@@H]1CCC[NH2+]1)[C@@H]1CCSC1 ZINC000228554445 188253632 /nfs/dbraw/zinc/25/36/32/188253632.db2.gz HAMZJYNUKJIWNP-UWVGGRQHSA-N 2 0 200.351 1.081 20 0 BDADRP COc1ccc(CN2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000031994656 188255321 /nfs/dbraw/zinc/25/53/21/188255321.db2.gz BIJIOPCROIXNGE-OAHLLOKOSA-N 2 0 246.354 1.881 20 0 BDADRP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@H](C)C[NH3+])c1 ZINC000336796600 188255993 /nfs/dbraw/zinc/25/59/93/188255993.db2.gz ULKBRRZXDSSPRH-WDEREUQCSA-N 2 0 249.358 1.890 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000336685411 188256092 /nfs/dbraw/zinc/25/60/92/188256092.db2.gz UDIFBPHYQAVZLN-FRRDWIJNSA-N 2 0 228.380 1.181 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@@H]1C[NH+](C)C[C@@H]1C ZINC000336661616 188256099 /nfs/dbraw/zinc/25/60/99/188256099.db2.gz KCLCRAHUDNXKQB-QWHCGFSZSA-N 2 0 227.396 1.256 20 0 BDADRP Cc1nn(C)cc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271832736 188262663 /nfs/dbraw/zinc/26/26/63/188262663.db2.gz PCUAPYZMTDCJEC-UHFFFAOYSA-N 2 0 234.347 1.080 20 0 BDADRP C1=CCN(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000355569186 188271532 /nfs/dbraw/zinc/27/15/32/188271532.db2.gz QISSATSEUZNSFC-HUUCEWRRSA-N 2 0 249.402 1.465 20 0 BDADRP CC[NH+]1CCC([NH2+]CC[C@H](C)OC)CC1 ZINC000336772629 353316027 /nfs/dbraw/zinc/31/60/27/353316027.db2.gz XVYGDLFXNFSPFP-NSHDSACASA-N 2 0 214.353 1.485 20 0 BDADRP C[C@@H]([NH2+]C[C@@H](C)CCO)C1CC[NH+](C)CC1 ZINC000085127146 538115639 /nfs/dbraw/zinc/11/56/39/538115639.db2.gz NGXPHHNQXNSXQA-NWDGAFQWSA-N 2 0 228.380 1.325 20 0 BDADRP CCC[C@H](CC)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000336744411 188346009 /nfs/dbraw/zinc/34/60/09/188346009.db2.gz UWLSNDUIOKYVCT-LBPRGKRZSA-N 2 0 228.380 1.611 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)CC[NH+](C)C)C1 ZINC000226542795 538116699 /nfs/dbraw/zinc/11/66/99/538116699.db2.gz AAYGXWIXAMYANO-RWMBFGLXSA-N 2 0 228.380 1.874 20 0 BDADRP CC(C)C[C@H](CNC(=O)CC[C@H](C)[NH3+])[NH+](C)C ZINC000070317491 188402034 /nfs/dbraw/zinc/40/20/34/188402034.db2.gz QYDMITRCMGFPHJ-NWDGAFQWSA-N 2 0 243.395 1.206 20 0 BDADRP C[NH2+]CCCC(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000178198067 366104158 /nfs/dbraw/zinc/10/41/58/366104158.db2.gz DZIRWXZEMMJUFD-JTQLQIEISA-N 2 0 235.331 1.644 20 0 BDADRP C[C@H](CN[C@H]1C[N@H+](C)C[C@@H]1C)C[NH+]1CCCC1 ZINC000343331332 353738778 /nfs/dbraw/zinc/73/87/78/353738778.db2.gz JALPIAKCJHIZNN-RDBSUJKOSA-N 2 0 239.407 1.258 20 0 BDADRP CC(C)[NH+]1CCC(NC[C@@H]2CCC[NH2+]2)CC1 ZINC000232646852 353744565 /nfs/dbraw/zinc/74/45/65/353744565.db2.gz KDHDHTXRDCAWTI-ZDUSSCGKSA-N 2 0 225.380 1.201 20 0 BDADRP CC[N@H+](C[C@@H]1CCCO1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000233481370 353823389 /nfs/dbraw/zinc/82/33/89/353823389.db2.gz XAIQCHNTBQJXPS-MJBXVCDLSA-N 2 0 240.391 1.875 20 0 BDADRP CCn1nccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000220347144 353830571 /nfs/dbraw/zinc/83/05/71/353830571.db2.gz JBSDDOPVLWJQGE-IACUBPJLSA-N 2 0 248.374 1.462 20 0 BDADRP CCCN(CC(=O)OCC)C[C@@H]1CCC[NH2+]C1 ZINC000220366848 353837076 /nfs/dbraw/zinc/83/70/76/353837076.db2.gz ASPKGBKLARXCNG-GFCCVEGCSA-N 2 0 242.363 1.261 20 0 BDADRP C[N@H+](CCC[NH+]1CCCC1)CC[C@H]1CCOC1 ZINC000343627881 353948258 /nfs/dbraw/zinc/94/82/58/353948258.db2.gz VRKUXSWICMGYET-AWEZNQCLSA-N 2 0 240.391 1.831 20 0 BDADRP CN(CCC[N@H+](C)CCCF)CC[NH+](C)C ZINC000344046920 354111431 /nfs/dbraw/zinc/11/14/31/354111431.db2.gz YAJZMTRUBDVKCQ-UHFFFAOYSA-N 2 0 233.375 1.161 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]CCC[C@@H]2CCO2)C1 ZINC000639170740 354124750 /nfs/dbraw/zinc/12/47/50/354124750.db2.gz WVGKUPNRZKHYHN-UONOGXRCSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1cccc(N(C)C)c1 ZINC000344275163 354197396 /nfs/dbraw/zinc/19/73/96/354197396.db2.gz CONGEBJRZPXQQL-DOMZBBRYSA-N 2 0 247.386 1.792 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC2=CCCOC2)[C@@H](C)C1 ZINC000344511176 354291581 /nfs/dbraw/zinc/29/15/81/354291581.db2.gz IINBRCMIBPJHGX-JSGCOSHPSA-N 2 0 238.375 1.653 20 0 BDADRP Cc1cc(N2C[C@H]3CC[N@@H+](C)[C@H]3C2)cc[nH+]1 ZINC000334799631 354554856 /nfs/dbraw/zinc/55/48/56/354554856.db2.gz OTGWHPAREPFACX-YPMHNXCESA-N 2 0 217.316 1.530 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+](CCC[C@H]3CCO3)C2)C1 ZINC000639202718 354607719 /nfs/dbraw/zinc/60/77/19/354607719.db2.gz BCAXCHRLMOZYTR-KBPBESRZSA-N 2 0 238.375 1.583 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+](CCC[C@@H]3CCO3)C2)C1 ZINC000639202722 354608212 /nfs/dbraw/zinc/60/82/12/354608212.db2.gz BCAXCHRLMOZYTR-KGLIPLIRSA-N 2 0 238.375 1.583 20 0 BDADRP C[N@H+](CCCN1CC[NH+](C)CC1)C1CCCC1 ZINC000179239202 366228591 /nfs/dbraw/zinc/22/85/91/366228591.db2.gz XTLCLIXNBPCIAZ-UHFFFAOYSA-N 2 0 239.407 1.498 20 0 BDADRP CN(C)c1ncc(C[N@@H+]2CC[C@@H]3CCC[C@H]32)n1C ZINC000335109822 354695477 /nfs/dbraw/zinc/69/54/77/354695477.db2.gz JBJGJIBJTRHNEE-WCQYABFASA-N 2 0 248.374 1.861 20 0 BDADRP Cc1nccn1CCCN1CCC(F)(F)C1 ZINC000345821121 354789307 /nfs/dbraw/zinc/78/93/07/354789307.db2.gz IZCLKGLHVIIPHE-UHFFFAOYSA-N 2 0 229.274 1.923 20 0 BDADRP CCC[C@H](CC)[NH2+][C@@H](CCC[NH3+])COC ZINC000233347083 363399724 /nfs/dbraw/zinc/39/97/24/363399724.db2.gz RBSUUHNNANGJQH-RYUDHWBXSA-N 2 0 216.369 1.909 20 0 BDADRP CC[C@H](CO)[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000345877749 354793950 /nfs/dbraw/zinc/79/39/50/354793950.db2.gz CLHHKVVWQBJSEA-NEPJUHHUSA-N 2 0 214.353 1.173 20 0 BDADRP C[C@H](CC[NH2+]C[C@H]1C[NH2+]C[C@H]1O)c1ccccc1 ZINC000345998399 354836130 /nfs/dbraw/zinc/83/61/30/354836130.db2.gz WHSBGUWMVOEFOF-VHDGCEQUSA-N 2 0 248.370 1.350 20 0 BDADRP COCCC[N@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000234597738 363425010 /nfs/dbraw/zinc/42/50/10/363425010.db2.gz JJBXPAVMVUYQAU-NWDGAFQWSA-N 2 0 214.353 1.343 20 0 BDADRP CCOCCC[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000233723225 363406257 /nfs/dbraw/zinc/40/62/57/363406257.db2.gz GWGRDNUMKHKWKR-NSHDSACASA-N 2 0 200.326 1.084 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](C)C(C)C ZINC000234722921 363429023 /nfs/dbraw/zinc/42/90/23/363429023.db2.gz WXJMMSAGUDUOED-VXGBXAGGSA-N 2 0 216.369 1.622 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CCCC(C)C ZINC000234781982 363430702 /nfs/dbraw/zinc/43/07/02/363430702.db2.gz XQICCZDQDWTVJS-LBPRGKRZSA-N 2 0 216.369 1.766 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCCSC1 ZINC000234806677 363432027 /nfs/dbraw/zinc/43/20/27/363432027.db2.gz AYADCPJBGMUAFR-WDEREUQCSA-N 2 0 232.393 1.226 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2CCC[NH+](C)[C@@H]2C)CC[N@@H+]1C ZINC000346803365 355109268 /nfs/dbraw/zinc/10/92/68/355109268.db2.gz VJOMGJCGGFCHSX-SYQHCUMBSA-N 2 0 239.407 1.541 20 0 BDADRP C[C@@H](CN[C@H]1CC[N@H+](C)[C@H](C)C1)[NH+](C)C ZINC000639233926 355216535 /nfs/dbraw/zinc/21/65/35/355216535.db2.gz YYFYXFAXAUQNSB-WOPDTQHZSA-N 2 0 213.369 1.009 20 0 BDADRP C[N@H+](C[C@@H]1CCC[C@@H]1O)CC1CC[NH2+]CC1 ZINC000346989426 355189700 /nfs/dbraw/zinc/18/97/00/355189700.db2.gz RJPIZXXFOCGQJG-STQMWFEESA-N 2 0 226.364 1.079 20 0 BDADRP CCCN(C[C@@H]1CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC000347009869 355203290 /nfs/dbraw/zinc/20/32/90/355203290.db2.gz SLVMXMBHHSAYTK-CYBMUJFWSA-N 2 0 239.407 1.450 20 0 BDADRP CC[C@H](C[NH+]1CCC(C[NH+](C)C)CC1)OC ZINC000412974420 191344558 /nfs/dbraw/zinc/34/45/58/191344558.db2.gz AGUJTZULBLVHJN-CYBMUJFWSA-N 2 0 228.380 1.685 20 0 BDADRP CC[C@@H](C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)OC ZINC000412979008 191348831 /nfs/dbraw/zinc/34/88/31/191348831.db2.gz RQWOEEVTSFSGCO-KGLIPLIRSA-N 2 0 240.391 1.829 20 0 BDADRP CC(C)OCCC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113515177 355252057 /nfs/dbraw/zinc/25/20/57/355252057.db2.gz ILYXGCCQUYNCHT-CYBMUJFWSA-N 2 0 228.380 1.685 20 0 BDADRP C[N@@H+]1CCC[C@@H](CC[NH2+]CCC[C@H]2CCO2)C1 ZINC000639257307 355302828 /nfs/dbraw/zinc/30/28/28/355302828.db2.gz LVWDPJBLTOUEHB-KBPBESRZSA-N 2 0 240.391 1.877 20 0 BDADRP C[NH+](C)C1CCC([NH2+]CC(C)(C)[NH3+])CC1 ZINC000583499856 355333519 /nfs/dbraw/zinc/33/35/19/355333519.db2.gz CQIWOWXLCUELPQ-UHFFFAOYSA-N 3 0 213.369 1.186 20 0 BDADRP CO[C@@H](C)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000191199162 355344151 /nfs/dbraw/zinc/34/41/51/355344151.db2.gz SXZLXRFLEWVKMH-NSHDSACASA-N 2 0 214.353 1.484 20 0 BDADRP CCC[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000414712358 191553899 /nfs/dbraw/zinc/55/38/99/191553899.db2.gz UAPCHJANKZFCBX-MGPQQGTHSA-N 2 0 240.391 1.875 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000414803752 191574822 /nfs/dbraw/zinc/57/48/22/191574822.db2.gz NZDIFYBNOWLVKH-QWHCGFSZSA-N 3 0 225.380 1.093 20 0 BDADRP CCC([NH3+])(CC)CNC[C@@H]([NH3+])CC(C)C ZINC000414813743 191578749 /nfs/dbraw/zinc/57/87/49/191578749.db2.gz ULQKWFBYDHHEPE-NSHDSACASA-N 2 0 215.385 1.467 20 0 BDADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000414818649 191583389 /nfs/dbraw/zinc/58/33/89/191583389.db2.gz WIMSXGGYWHYUPE-SWLSCSKDSA-N 3 0 247.386 1.938 20 0 BDADRP CC[C@@H]1CCC[C@@H]([NH2+]CCN2CC[NH2+]CC2)C1 ZINC000414860660 191604363 /nfs/dbraw/zinc/60/43/63/191604363.db2.gz CVYXFGYMUFJPSH-ZIAGYGMSSA-N 2 0 239.407 1.450 20 0 BDADRP CC(C)C[C@H]([NH3+])CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000414747627 191560673 /nfs/dbraw/zinc/56/06/73/191560673.db2.gz HIKHOTHFALIFQW-QWHCGFSZSA-N 2 0 227.396 1.434 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415015333 191651472 /nfs/dbraw/zinc/65/14/72/191651472.db2.gz YHXKCXSASLIEGI-XYJRDEOASA-N 2 0 224.348 1.142 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000415024780 191654895 /nfs/dbraw/zinc/65/48/95/191654895.db2.gz PNBSSWBRYMNIFO-YIYPIFLZSA-N 3 0 239.407 1.624 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+]CC[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000414898460 191619747 /nfs/dbraw/zinc/61/97/47/191619747.db2.gz AKRQYVVYJOMHGB-JHJVBQTASA-N 3 0 225.380 1.106 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)C[C@H]1CCC[NH2+]1 ZINC000415028977 191656731 /nfs/dbraw/zinc/65/67/31/191656731.db2.gz ZPDQCTPPTRLNRS-IJLUTSLNSA-N 3 0 213.369 1.234 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](Cc2cccc3c[nH]nc32)C1 ZINC000335856011 355600363 /nfs/dbraw/zinc/60/03/63/355600363.db2.gz SWWJOLMDOCIVJF-SNVBAGLBSA-N 2 0 230.315 1.344 20 0 BDADRP NC(=O)C1([NH2+]CC[C@@H]2CC[NH2+]C2)CCCCC1 ZINC000333893807 181200866 /nfs/dbraw/zinc/20/08/66/181200866.db2.gz XTXALEONMRKWGU-NSHDSACASA-N 2 0 239.363 1.814 20 0 BDADRP C[C@@H](Cn1cccn1)[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000415077473 191672019 /nfs/dbraw/zinc/67/20/19/191672019.db2.gz FGIJORGUXBODJI-AGIUHOORSA-N 2 0 236.363 1.249 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CNC[C@@H]([NH3+])CC(C)C ZINC000415082014 191674246 /nfs/dbraw/zinc/67/42/46/191674246.db2.gz NQMBSOUVPKFAGY-UONOGXRCSA-N 2 0 241.423 1.824 20 0 BDADRP CO[C@H](C[NH2+]C[C@@H]1CCN1C(C)(C)C)C1CC1 ZINC000639301717 355642367 /nfs/dbraw/zinc/64/23/67/355642367.db2.gz ANHHRJJKPZYQRA-QWHCGFSZSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000582181899 355646213 /nfs/dbraw/zinc/64/62/13/355646213.db2.gz ZITIHCNNWIYTNO-GHMZBOCLSA-N 3 0 221.348 1.361 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CS1 ZINC000639308149 355663609 /nfs/dbraw/zinc/66/36/09/355663609.db2.gz BZGJUTKEXUPXEE-WYUUTHIRSA-N 2 0 228.405 1.810 20 0 BDADRP CC[NH+]1CCC([NH2+]CCSCCCO)CC1 ZINC000167396291 355986730 /nfs/dbraw/zinc/98/67/30/355986730.db2.gz AGLREBIMXYWYRY-UHFFFAOYSA-N 2 0 246.420 1.176 20 0 BDADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCOCC3CC3)C[C@H]12 ZINC000351492432 356001965 /nfs/dbraw/zinc/00/19/65/356001965.db2.gz KWFQWFHURRJLNI-RWMBFGLXSA-N 2 0 224.348 1.082 20 0 BDADRP Cc1nccc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000351657981 356046655 /nfs/dbraw/zinc/04/66/55/356046655.db2.gz FRFCZHIGMJBPBJ-SMDDNHRTSA-N 2 0 248.374 1.700 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCCCN1CC[C@H]1CC[NH2+]C1 ZINC000420265202 192192919 /nfs/dbraw/zinc/19/29/19/192192919.db2.gz BHZKFSGFFIPMAY-XQQFMLRXSA-N 2 0 225.380 1.188 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+](CC3=CCCOC3)C2)C1 ZINC000336113310 134087289 /nfs/dbraw/zinc/08/72/89/134087289.db2.gz ZZUXPKYXEAEZLS-AWEZNQCLSA-N 2 0 236.359 1.361 20 0 BDADRP C[C@H](N)[C@H]1CCCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420264984 192190955 /nfs/dbraw/zinc/19/09/55/192190955.db2.gz AWIHKZYPRFVPJH-MELADBBJSA-N 2 0 239.407 1.578 20 0 BDADRP CCOC(=O)CCCC[N@H+](C)C1CC[NH2+]CC1 ZINC000420264559 192191091 /nfs/dbraw/zinc/19/10/91/192191091.db2.gz ANHLNQGYRDCSER-UHFFFAOYSA-N 2 0 242.363 1.404 20 0 BDADRP C[C@@H]1CN(CCC[NH+]2CCCCC2)CC[C@@H]1[NH3+] ZINC000420292787 192203962 /nfs/dbraw/zinc/20/39/62/192203962.db2.gz QAWMRNWYHSNYMI-KGLIPLIRSA-N 2 0 239.407 1.532 20 0 BDADRP COC(=O)CC1(C[N@H+](C)CC(C)(C)C[NH3+])CC1 ZINC000420296608 192205936 /nfs/dbraw/zinc/20/59/36/192205936.db2.gz XGDNJJLXYRFFOC-UHFFFAOYSA-N 2 0 242.363 1.246 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000420319759 192195413 /nfs/dbraw/zinc/19/54/13/192195413.db2.gz SCEAKQMLDHWBSN-ZIAGYGMSSA-N 2 0 239.407 1.402 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000420320950 192196113 /nfs/dbraw/zinc/19/61/13/192196113.db2.gz URFLBCWLXLTVSL-KGLIPLIRSA-N 2 0 239.407 1.260 20 0 BDADRP CC(C)[C@H](C(=O)NCC[C@@H](C)[NH+](C)C)[NH+](C)C ZINC000617751856 356310696 /nfs/dbraw/zinc/31/06/96/356310696.db2.gz DUUAEDGREWYYMD-VXGBXAGGSA-N 2 0 243.395 1.029 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420290131 192200660 /nfs/dbraw/zinc/20/06/60/192200660.db2.gz LMLJPSMKFZVBRN-KGLIPLIRSA-N 2 0 239.407 1.545 20 0 BDADRP CCOC(=O)CCCC[N@H+](C)CC(C)(C)C[NH3+] ZINC000420290207 192201440 /nfs/dbraw/zinc/20/14/40/192201440.db2.gz LOEKXSZWWOVHAK-UHFFFAOYSA-N 2 0 244.379 1.637 20 0 BDADRP C[C@H](CCC1CC1)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000346532335 134090750 /nfs/dbraw/zinc/09/07/50/134090750.db2.gz MTYDNWIRXXJRPN-OCCSQVGLSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000639493750 356316961 /nfs/dbraw/zinc/31/69/61/356316961.db2.gz BMUXWQSXOIQVIH-MELADBBJSA-N 2 0 240.391 1.685 20 0 BDADRP CC[NH+](CC)CCCN1CCC[C@@H]1C[NH2+]C ZINC000420291487 192202797 /nfs/dbraw/zinc/20/27/97/192202797.db2.gz NUOFSLVTSBRBLM-CYBMUJFWSA-N 2 0 227.396 1.402 20 0 BDADRP C[C@@H]1C[NH+](CC[C@H]2CCC[NH2+]C2)C[C@@H](C)N1 ZINC000420291405 192202854 /nfs/dbraw/zinc/20/28/54/192202854.db2.gz KKZZKZYJTKNWOP-JHJVBQTASA-N 2 0 225.380 1.058 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420295644 192203213 /nfs/dbraw/zinc/20/32/13/192203213.db2.gz VVRVTZAUYHREIJ-MELADBBJSA-N 3 0 239.407 1.435 20 0 BDADRP C[C@H]1CN(CCC[NH+]2CCCCC2)CC[C@H]1[NH3+] ZINC000420292789 192203532 /nfs/dbraw/zinc/20/35/32/192203532.db2.gz QAWMRNWYHSNYMI-UONOGXRCSA-N 2 0 239.407 1.532 20 0 BDADRP c1cnn(CC[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420330527 192213754 /nfs/dbraw/zinc/21/37/54/192213754.db2.gz QBBQNJDCZUUZEA-KBPBESRZSA-N 2 0 248.374 1.205 20 0 BDADRP CCOCCC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420336763 192214564 /nfs/dbraw/zinc/21/45/64/192214564.db2.gz WGMZQMARHNKJHI-ZIAGYGMSSA-N 2 0 240.391 1.735 20 0 BDADRP CC(C)OCC[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420340605 192216666 /nfs/dbraw/zinc/21/66/66/192216666.db2.gz MVURAPPUBVWRMQ-KBPBESRZSA-N 2 0 240.391 1.733 20 0 BDADRP Cc1cccc([C@@H](C)[N@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000420349923 192217845 /nfs/dbraw/zinc/21/78/45/192217845.db2.gz FEHLVHAMMIYQDV-YPMHNXCESA-N 2 0 222.332 1.307 20 0 BDADRP NC[C@@H]1CCCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420299519 192207850 /nfs/dbraw/zinc/20/78/50/192207850.db2.gz UANZHLUBCWPMHC-STQMWFEESA-N 2 0 225.380 1.189 20 0 BDADRP OCCCC[N@H+](CC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000420306632 192208633 /nfs/dbraw/zinc/20/86/33/192208633.db2.gz QQSSUTPNAWGROG-CYBMUJFWSA-N 2 0 240.391 1.613 20 0 BDADRP CC(C)(C)[C@@H]1CCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000420304952 192209436 /nfs/dbraw/zinc/20/94/36/192209436.db2.gz PABNHTZYMSMCKE-ZDUSSCGKSA-N 2 0 239.407 1.402 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000420310803 192211717 /nfs/dbraw/zinc/21/17/17/192211717.db2.gz QDSQXBGPDBKOLV-STQMWFEESA-N 2 0 227.396 1.387 20 0 BDADRP Nc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccn1 ZINC000420316407 192212805 /nfs/dbraw/zinc/21/28/05/192212805.db2.gz YCLQABWQWADEHZ-RWMBFGLXSA-N 2 0 246.358 1.053 20 0 BDADRP CC[N@H+](Cc1ccnc(N)c1)[C@@H]1CCC[NH2+]CC1 ZINC000420317487 192212813 /nfs/dbraw/zinc/21/28/13/192212813.db2.gz UOJQJDQVOYJKMU-CYBMUJFWSA-N 2 0 248.374 1.458 20 0 BDADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420322231 192228651 /nfs/dbraw/zinc/22/86/51/192228651.db2.gz WJJRFSVVLZDJST-OLZOCXBDSA-N 3 0 225.380 1.189 20 0 BDADRP C[C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)[C@@H](CN)C1 ZINC000420324558 192230586 /nfs/dbraw/zinc/23/05/86/192230586.db2.gz ATYDFJYKJIFIDX-TZMCWYRMSA-N 2 0 239.407 1.435 20 0 BDADRP CC[C@H](c1ccc(F)cc1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420359375 192222337 /nfs/dbraw/zinc/22/23/37/192222337.db2.gz VUNPQNIZZWRGDX-CHWSQXEVSA-N 2 0 240.322 1.528 20 0 BDADRP CC[N@@H+]1C[C@H](C)N(CCC[NH2+]C)C[C@@H]1C ZINC000420365692 192223203 /nfs/dbraw/zinc/22/32/03/192223203.db2.gz SOXMXINFNNPTTE-RYUDHWBXSA-N 2 0 213.369 1.010 20 0 BDADRP CCC[C@H]1C[N@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000420364346 192224272 /nfs/dbraw/zinc/22/42/72/192224272.db2.gz QOKGUGJDFHQEFP-AWEZNQCLSA-N 2 0 240.391 1.877 20 0 BDADRP CC(C)[C@H]([NH2+]CCOCC[NH3+])c1ccccc1 ZINC000420363650 192224295 /nfs/dbraw/zinc/22/42/95/192224295.db2.gz BRXDCWLYVABWRK-AWEZNQCLSA-N 2 0 236.359 1.949 20 0 BDADRP CCOCCC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420384460 192234613 /nfs/dbraw/zinc/23/46/13/192234613.db2.gz DVNNHRKKXKFPDO-KBPBESRZSA-N 2 0 240.391 1.877 20 0 BDADRP CCOCC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420381874 192235417 /nfs/dbraw/zinc/23/54/17/192235417.db2.gz CUMLKTUQZWFRLT-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP CC(C)OCC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420404457 192238162 /nfs/dbraw/zinc/23/81/62/192238162.db2.gz SFFRMXBPRWNUMN-KBPBESRZSA-N 2 0 240.391 1.875 20 0 BDADRP C[NH2+]CCC[NH2+][C@H]1CCCO[C@@H]1CC(C)C ZINC000420409685 192239005 /nfs/dbraw/zinc/23/90/05/192239005.db2.gz QNRLWGWNWFWWCV-QWHCGFSZSA-N 2 0 228.380 1.779 20 0 BDADRP COCCC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420407806 192239509 /nfs/dbraw/zinc/23/95/09/192239509.db2.gz VMBOFTCCXKINIX-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP C[NH2+]CCCN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000420414592 192240165 /nfs/dbraw/zinc/24/01/65/192240165.db2.gz UMFGOBSHFCADIE-CQSZACIVSA-N 2 0 233.359 1.242 20 0 BDADRP CC(C)C[C@H]1OCCC[C@H]1[NH2+]CCC[NH3+] ZINC000420414068 192240545 /nfs/dbraw/zinc/24/05/45/192240545.db2.gz UGBSTMRXPVBDGZ-VXGBXAGGSA-N 2 0 214.353 1.519 20 0 BDADRP CC1(C)CCCC[C@H]1[NH2+]CCOCC[NH3+] ZINC000420416795 192241186 /nfs/dbraw/zinc/24/11/86/192241186.db2.gz VWMYCLKKHLKWTN-LLVKDONJSA-N 2 0 214.353 1.520 20 0 BDADRP CC[C@@H](C)[N@H+](CC[C@@H]1CC[NH2+]C1)CC(=O)OC ZINC000420377073 192231462 /nfs/dbraw/zinc/23/14/62/192231462.db2.gz RNYCDYNOYVAPPM-NEPJUHHUSA-N 2 0 242.363 1.260 20 0 BDADRP CC[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](C)O ZINC000352210253 134107709 /nfs/dbraw/zinc/10/77/09/134107709.db2.gz FPNDAGPFIBDMBS-STQMWFEESA-N 2 0 228.380 1.564 20 0 BDADRP COc1ccc(CN2CCC([NH3+])CC2)cc1O ZINC000020521647 356489432 /nfs/dbraw/zinc/48/94/32/356489432.db2.gz QSLFKGKAMWCBAB-UHFFFAOYSA-N 2 0 236.315 1.324 20 0 BDADRP Cn1cncc1CC[NH+]1CCC(C)(CO)CC1 ZINC000639586507 356505309 /nfs/dbraw/zinc/50/53/09/356505309.db2.gz MQUSTQCKQCUOSN-UHFFFAOYSA-N 2 0 237.347 1.057 20 0 BDADRP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1C[C@@H](O)C1 ZINC000420914419 192271326 /nfs/dbraw/zinc/27/13/26/192271326.db2.gz KARVTQUHTKAUJR-MQYQWHSLSA-N 2 0 238.375 1.316 20 0 BDADRP C[C@@H]1C[C@H](CO)C[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000420944516 192276857 /nfs/dbraw/zinc/27/68/57/192276857.db2.gz QZVRTGICOVJISM-HZSPNIEDSA-N 2 0 240.391 1.421 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000336197904 134127177 /nfs/dbraw/zinc/12/71/77/134127177.db2.gz RFNXHASTPNTHEE-CHWSQXEVSA-N 2 0 224.348 1.098 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000336197905 134127658 /nfs/dbraw/zinc/12/76/58/134127658.db2.gz RFNXHASTPNTHEE-OLZOCXBDSA-N 2 0 224.348 1.098 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000639653427 356564491 /nfs/dbraw/zinc/56/44/91/356564491.db2.gz AGXORNPDHZCSTQ-MJBXVCDLSA-N 2 0 238.375 1.439 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000639653426 356564992 /nfs/dbraw/zinc/56/49/92/356564992.db2.gz AGXORNPDHZCSTQ-MELADBBJSA-N 2 0 238.375 1.439 20 0 BDADRP CCOCCC1(C[NH2+][C@H](C)CCC[NH3+])CC1 ZINC000423004196 192534236 /nfs/dbraw/zinc/53/42/36/192534236.db2.gz OMPLEXGYDLMXBB-GFCCVEGCSA-N 2 0 228.380 1.910 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422974925 192534249 /nfs/dbraw/zinc/53/42/49/192534249.db2.gz FRWGVBSFHRTPDT-VWYCJHECSA-N 2 0 202.342 1.253 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@H](CO)c1ccccc1 ZINC000422983430 192518056 /nfs/dbraw/zinc/51/80/56/192518056.db2.gz ZLKFXINIWXWMQP-NQBHXWOUSA-N 2 0 222.332 1.435 20 0 BDADRP COCCC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423035714 192548028 /nfs/dbraw/zinc/54/80/28/192548028.db2.gz JUCXMFGUCLWSEJ-FUNVUKJBSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)[C@H]1CCCOC1 ZINC000423042939 192549437 /nfs/dbraw/zinc/54/94/37/192549437.db2.gz MRHVPRYWTLEVHJ-ZIHBUVQPSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](CO)c1ccsc1 ZINC000423049338 192551781 /nfs/dbraw/zinc/55/17/81/192551781.db2.gz JPLZYNZXBLYZEP-JQWIXIFHSA-N 2 0 242.388 1.889 20 0 BDADRP C[C@@H](O)CCC[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756518 356660818 /nfs/dbraw/zinc/66/08/18/356660818.db2.gz WNZXIKZYTKWBKN-CYBMUJFWSA-N 2 0 240.391 1.565 20 0 BDADRP Cc1ncsc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000167606365 134152887 /nfs/dbraw/zinc/15/28/87/134152887.db2.gz CHWNPMBPPHIMIJ-MWLCHTKSSA-N 2 0 239.388 1.868 20 0 BDADRP Fc1ccc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000088287699 356657058 /nfs/dbraw/zinc/65/70/58/356657058.db2.gz UYDQLEJYHAWGNK-VXGBXAGGSA-N 2 0 220.291 1.477 20 0 BDADRP C[C@@H]([NH2+]CCC1(F)CCC1)[C@@H]1CCC[NH2+]1 ZINC000423110248 192572650 /nfs/dbraw/zinc/57/26/50/192572650.db2.gz PADNXBYNHDRIRP-MNOVXSKESA-N 2 0 214.328 1.999 20 0 BDADRP CC(C)[C@@H](O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639755460 356658496 /nfs/dbraw/zinc/65/84/96/356658496.db2.gz LTWZZJCVRUKJFV-ZDUSSCGKSA-N 2 0 240.391 1.421 20 0 BDADRP C[C@H](O)CCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000167627303 134153327 /nfs/dbraw/zinc/15/33/27/134153327.db2.gz MQCHQAIYIHSWMU-BFHYXJOUSA-N 2 0 240.391 1.564 20 0 BDADRP C[C@H](CO)[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000167641061 134153376 /nfs/dbraw/zinc/15/33/76/134153376.db2.gz LLWSBTZKBUWYNG-UTUOFQBUSA-N 2 0 214.353 1.268 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H](CO)C1CCCCC1 ZINC000423135882 192581683 /nfs/dbraw/zinc/58/16/83/192581683.db2.gz OLDPVHZIZJRIRK-GXTWGEPZSA-N 2 0 242.407 1.892 20 0 BDADRP COC[C@H](C)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757745 356664908 /nfs/dbraw/zinc/66/49/08/356664908.db2.gz NAZNUVHAWGFQRO-LBPRGKRZSA-N 2 0 226.364 1.439 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCCOC(F)F ZINC000423116746 192574364 /nfs/dbraw/zinc/57/43/64/192574364.db2.gz RKGNTIDYANVYNA-VHSXEESVSA-N 2 0 236.306 1.593 20 0 BDADRP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000168173405 134156355 /nfs/dbraw/zinc/15/63/55/134156355.db2.gz YLOIYLKVEODUIB-WISYIIOYSA-N 2 0 226.364 1.253 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@H]1CCCn2nccc21 ZINC000657859029 491103164 /nfs/dbraw/zinc/10/31/64/491103164.db2.gz PCYPHGHHWHFXMH-LBPRGKRZSA-N 2 0 236.363 1.649 20 0 BDADRP Cc1cnc([C@@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)o1 ZINC000578193798 366379476 /nfs/dbraw/zinc/37/94/76/366379476.db2.gz WJKQUGUPFKRGQF-UPJWGTAASA-N 2 0 249.358 1.975 20 0 BDADRP Cc1cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])ccn1 ZINC000423159352 192597539 /nfs/dbraw/zinc/59/75/39/192597539.db2.gz OXBRPSFDTWONTL-ZJUUUORDSA-N 2 0 207.321 1.605 20 0 BDADRP COCCCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623358736 356799474 /nfs/dbraw/zinc/79/94/74/356799474.db2.gz PTMVPUBVQQJPCN-LBPRGKRZSA-N 2 0 228.380 1.875 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000423168054 192603868 /nfs/dbraw/zinc/60/38/68/192603868.db2.gz UDFKAGPHZLAECM-AVGNSLFASA-N 2 0 226.364 1.376 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CC2COC2)CC1(C)C ZINC000623760455 356915208 /nfs/dbraw/zinc/91/52/08/356915208.db2.gz AWUQREORLWZELY-NSHDSACASA-N 2 0 212.337 1.095 20 0 BDADRP COCCCN(C)CC[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000353534619 538748454 /nfs/dbraw/zinc/74/84/54/538748454.db2.gz UGBVPRKSRWPCPN-KGLIPLIRSA-N 2 0 242.407 1.979 20 0 BDADRP CC(C)CC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000361267153 356924005 /nfs/dbraw/zinc/92/40/05/356924005.db2.gz QRMRPINTRHCHFZ-KBPBESRZSA-N 2 0 242.407 1.667 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](CNCC2(F)CC2)C1 ZINC000389984335 357079271 /nfs/dbraw/zinc/07/92/71/357079271.db2.gz LFAKQOVZTXQAGQ-LLVKDONJSA-N 2 0 214.328 1.808 20 0 BDADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H]1CCC[NH2+]1 ZINC000423237229 192644787 /nfs/dbraw/zinc/64/47/87/192644787.db2.gz PSQNSIYJLXVMLJ-AEGPPILISA-N 2 0 247.386 1.287 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423260845 192656544 /nfs/dbraw/zinc/65/65/44/192656544.db2.gz QXKGAHGLEYXNHJ-TUAOUCFPSA-N 2 0 214.353 1.389 20 0 BDADRP CC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000304329419 357162794 /nfs/dbraw/zinc/16/27/94/357162794.db2.gz UUMYMFUJBTZORV-CHWSQXEVSA-N 2 0 226.364 1.175 20 0 BDADRP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)ccn1 ZINC000391161623 357124337 /nfs/dbraw/zinc/12/43/37/357124337.db2.gz NMDKRNZWYZHGJO-AWEZNQCLSA-N 2 0 233.359 1.821 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCCc2nccs2)C1 ZINC000391185253 357125228 /nfs/dbraw/zinc/12/52/28/357125228.db2.gz VWDWVHPODIWASR-MNOVXSKESA-N 2 0 239.388 1.935 20 0 BDADRP C[N@@H+]1CCCC[C@H](C[NH2+]CC[C@H]2CCOC2)C1 ZINC000628425600 357252133 /nfs/dbraw/zinc/25/21/33/357252133.db2.gz PWYMOGDTZQRBQG-UONOGXRCSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@@H]1C[C@H]1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000628425446 357252765 /nfs/dbraw/zinc/25/27/65/357252765.db2.gz LIKXJDGTMGZRIH-AGIUHOORSA-N 2 0 210.365 1.964 20 0 BDADRP CCn1ccnc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000582725543 357372132 /nfs/dbraw/zinc/37/21/32/357372132.db2.gz POWASFVPCDGZSU-UHFFFAOYSA-N 2 0 248.374 1.479 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000394034329 357316253 /nfs/dbraw/zinc/31/62/53/357316253.db2.gz FTOHIZXBCRVECE-SRVKXCTJSA-N 2 0 214.353 1.110 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC12CCOCC2 ZINC000582899716 357424970 /nfs/dbraw/zinc/42/49/70/357424970.db2.gz CYYXJCAWOGWOJY-JHJVBQTASA-N 2 0 238.375 1.805 20 0 BDADRP COC[C@H](C)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397313915 357511764 /nfs/dbraw/zinc/51/17/64/357511764.db2.gz PXOQJIWPRWXAPD-VOAKCMCISA-N 2 0 228.380 1.574 20 0 BDADRP CC(C)[NH2+]CCCN[C@H](C)c1c[nH+]ccc1N ZINC000583018685 357450004 /nfs/dbraw/zinc/45/00/04/357450004.db2.gz BWZPZMAVROGBMO-LLVKDONJSA-N 3 0 236.363 1.533 20 0 BDADRP C[NH2+]CCCN(C)C(=O)[C@H]([NH3+])c1ccc(C)cc1 ZINC000230801874 357574590 /nfs/dbraw/zinc/57/45/90/357574590.db2.gz DQCNLABNGDEAHI-CYBMUJFWSA-N 2 0 249.358 1.063 20 0 BDADRP CC(C)C[C@@H](N)C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000063125106 357531446 /nfs/dbraw/zinc/53/14/46/357531446.db2.gz LKNRSIMKILDFRD-CQSZACIVSA-N 2 0 241.423 1.633 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCSCCCO ZINC000230785096 357565160 /nfs/dbraw/zinc/56/51/60/357565160.db2.gz HTACQTAEHOLOJE-VXGBXAGGSA-N 2 0 246.420 1.209 20 0 BDADRP [NH3+][C@@H]1CC2(CC[NH2+]CC2)Oc2ccccc21 ZINC000160710279 538889210 /nfs/dbraw/zinc/88/92/10/538889210.db2.gz FXTDSKNLTMOBPZ-LLVKDONJSA-N 2 0 218.300 1.591 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)[C@@H]1CO ZINC000189745482 357667540 /nfs/dbraw/zinc/66/75/40/357667540.db2.gz KCNOYJUZTFCMEO-FRRDWIJNSA-N 2 0 226.364 1.173 20 0 BDADRP CC(C)COCC[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000232636913 357669676 /nfs/dbraw/zinc/66/96/76/357669676.db2.gz BOKCLXRTTKKAKZ-CYBMUJFWSA-N 2 0 230.396 1.964 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)C[NH2+]C)C1(C)C ZINC000233745483 357742589 /nfs/dbraw/zinc/74/25/89/357742589.db2.gz YFAOGKGCBDREHY-QJPTWQEYSA-N 2 0 228.380 1.635 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(C)cc1 ZINC000234793979 357828977 /nfs/dbraw/zinc/82/89/77/357828977.db2.gz ZLTRNPMJRCXLRQ-AWEZNQCLSA-N 2 0 236.359 1.839 20 0 BDADRP Cc1c[nH+]ccc1NC[C@H](O)C[NH+]1CCCCC1 ZINC000192496321 357835434 /nfs/dbraw/zinc/83/54/34/357835434.db2.gz HPHGGOCFWZKMCI-ZDUSSCGKSA-N 2 0 249.358 1.649 20 0 BDADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCCO ZINC000235123606 357846424 /nfs/dbraw/zinc/84/64/24/357846424.db2.gz NSTOFDFKBGPDAZ-QWHCGFSZSA-N 2 0 228.380 1.659 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)C(C)C ZINC000381657749 357925470 /nfs/dbraw/zinc/92/54/70/357925470.db2.gz DBWYAQWWGZJMIG-GRYCIOLGSA-N 2 0 214.353 1.517 20 0 BDADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1ccoc1 ZINC000219304407 357995295 /nfs/dbraw/zinc/99/52/95/357995295.db2.gz DWSIICCFVQMWNI-NSHDSACASA-N 2 0 226.320 1.508 20 0 BDADRP CC[NH+](CC)C[C@@H](C)N[C@H]1CCC[NH2+]CC1 ZINC000168744909 134247602 /nfs/dbraw/zinc/24/76/02/134247602.db2.gz OAKFUWZVGVNCNQ-OLZOCXBDSA-N 3 0 227.396 1.448 20 0 BDADRP CC(C)OCCC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000168712568 134246559 /nfs/dbraw/zinc/24/65/59/134246559.db2.gz BXRICCRHXNSJGH-LBPRGKRZSA-N 2 0 214.353 1.533 20 0 BDADRP CC[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000037042516 358063972 /nfs/dbraw/zinc/06/39/72/358063972.db2.gz ZOPLTIIHLUUNIA-GFCCVEGCSA-N 2 0 235.331 1.424 20 0 BDADRP Cc1ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])nc1 ZINC000583871873 358080333 /nfs/dbraw/zinc/08/03/33/358080333.db2.gz GJXUEOKUECWIPR-WDEREUQCSA-N 2 0 207.321 1.605 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCC[C@H]2CCC[NH2+]2)C1 ZINC000583882661 358118023 /nfs/dbraw/zinc/11/80/23/358118023.db2.gz OWUONGRVVXXLFZ-JHJVBQTASA-N 3 0 225.380 1.378 20 0 BDADRP CCn1nccc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000584719971 358161201 /nfs/dbraw/zinc/16/12/01/358161201.db2.gz OHZDRPXKROVRND-ZJUUUORDSA-N 2 0 210.325 1.118 20 0 BDADRP COC[C@H](O)C[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000564321323 325357499 /nfs/dbraw/zinc/35/74/99/325357499.db2.gz HACZXDLIRONQDZ-CYBMUJFWSA-N 2 0 246.395 1.092 20 0 BDADRP Cc1ccc([C@@H](C)[NH2+]CC2C[NH2+]C2)cc1 ZINC000423305568 192693357 /nfs/dbraw/zinc/69/33/57/192693357.db2.gz REYBQLUWKKQBIW-LLVKDONJSA-N 2 0 204.317 1.865 20 0 BDADRP C(C[NH+]1CCCCC1)N1CC[NH+](C2CC2)CC1 ZINC000077173224 325367656 /nfs/dbraw/zinc/36/76/56/325367656.db2.gz QKKGGMMDJRPHRS-UHFFFAOYSA-N 2 0 237.391 1.252 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000226330619 358337424 /nfs/dbraw/zinc/33/74/24/358337424.db2.gz XQEWHBHTGFVYIV-OLZOCXBDSA-N 2 0 227.396 1.576 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC000226865328 358346023 /nfs/dbraw/zinc/34/60/23/358346023.db2.gz NMJODPFECKVZHB-FDYHWXHSSA-N 2 0 225.380 1.329 20 0 BDADRP C[NH2+]C1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000044510307 358388647 /nfs/dbraw/zinc/38/86/47/358388647.db2.gz RQWNHYFHXKSDOL-GFCCVEGCSA-N 2 0 212.337 1.239 20 0 BDADRP CC[NH+]1CCC(C[NH2+]Cc2cccnc2)CC1 ZINC000044517396 358388785 /nfs/dbraw/zinc/38/87/85/358388785.db2.gz VRHIWFKWCCDKHT-UHFFFAOYSA-N 2 0 233.359 1.903 20 0 BDADRP COCCCC[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000044659220 358392527 /nfs/dbraw/zinc/39/25/27/358392527.db2.gz MZWWXDVKJHYOQT-WDEREUQCSA-N 2 0 200.326 1.225 20 0 BDADRP COCC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000045037686 358399967 /nfs/dbraw/zinc/39/99/67/358399967.db2.gz BMVLYLSTWRTXSL-QWHCGFSZSA-N 2 0 228.380 1.731 20 0 BDADRP CSC[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000229349987 358403071 /nfs/dbraw/zinc/40/30/71/358403071.db2.gz ASGIFFBKSUQOAI-IVZWLZJFSA-N 2 0 202.367 1.597 20 0 BDADRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccn(C)c2)C1 ZINC000124562998 358518326 /nfs/dbraw/zinc/51/83/26/358518326.db2.gz BWPOVNIOGIIFJR-ZDUSSCGKSA-N 2 0 235.375 1.847 20 0 BDADRP C[C@@H]1CCCC[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000219325131 134281423 /nfs/dbraw/zinc/28/14/23/134281423.db2.gz VLCQGQFNKMBRLC-OLZOCXBDSA-N 2 0 228.380 1.733 20 0 BDADRP CC[NH+]1CCC(N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000044683937 358551312 /nfs/dbraw/zinc/55/13/12/358551312.db2.gz KWNTWBGDRLZWRZ-CYBMUJFWSA-N 2 0 237.391 1.297 20 0 BDADRP COC[C@H](C)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000045657425 358564374 /nfs/dbraw/zinc/56/43/74/358564374.db2.gz WZBGEEUIMDKZOT-FVCCEPFGSA-N 2 0 228.380 1.587 20 0 BDADRP C[C@H]1CN(CC=C(Cl)Cl)CC[C@H]1[NH3+] ZINC000403313191 358567013 /nfs/dbraw/zinc/56/70/13/358567013.db2.gz ATJUCKHAVOHHTG-JGVFFNPUSA-N 2 0 223.147 1.975 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)CN1C1CC1 ZINC000130025541 358605191 /nfs/dbraw/zinc/60/51/91/358605191.db2.gz WDVATWQGLRNHJK-QWHCGFSZSA-N 3 0 239.407 1.543 20 0 BDADRP C[NH2+]CCC[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000131239392 358666837 /nfs/dbraw/zinc/66/68/37/358666837.db2.gz YIYMSWQZAZIGOH-UHFFFAOYSA-N 2 0 244.285 1.987 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](CO)C1 ZINC000049774084 358700443 /nfs/dbraw/zinc/70/04/43/358700443.db2.gz LGHIGZXFUQWJOZ-UONOGXRCSA-N 2 0 240.391 1.565 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](O)C1 ZINC000049773526 358700534 /nfs/dbraw/zinc/70/05/34/358700534.db2.gz XTWZNTCZGIEMQK-OLZOCXBDSA-N 2 0 226.364 1.318 20 0 BDADRP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C(C)(C)C ZINC000133309378 358750545 /nfs/dbraw/zinc/75/05/45/358750545.db2.gz CSKIMSCMTGPIBK-NEPJUHHUSA-N 2 0 228.380 1.467 20 0 BDADRP C[N@H+](CCCF)C[C@@H]1CCC[NH+](C)C1 ZINC000133426589 358754344 /nfs/dbraw/zinc/75/43/44/358754344.db2.gz JXRLASJSXSUHKE-LLVKDONJSA-N 2 0 202.317 1.620 20 0 BDADRP CC[C@@H](C)C[NH2+]CCCN1CC[NH+](CC)CC1 ZINC000133526801 358757929 /nfs/dbraw/zinc/75/79/29/358757929.db2.gz UNNGZOAEQAEQGI-CQSZACIVSA-N 2 0 241.423 1.650 20 0 BDADRP COc1ccc(CN(C)CCC[NH3+])c(OC)c1 ZINC000133730895 358766827 /nfs/dbraw/zinc/76/68/27/358766827.db2.gz QPSDCDBLKCQTEK-UHFFFAOYSA-N 2 0 238.331 1.484 20 0 BDADRP OC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000132258823 358713474 /nfs/dbraw/zinc/71/34/74/358713474.db2.gz MSQQIOHRKMWSQL-HUUCEWRRSA-N 2 0 248.370 1.179 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000132484694 358724718 /nfs/dbraw/zinc/72/47/18/358724718.db2.gz KQAXJRZDJVRVHX-AGIUHOORSA-N 2 0 226.364 1.343 20 0 BDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CC2)[C@H](C)C1 ZINC000132687215 358732717 /nfs/dbraw/zinc/73/27/17/358732717.db2.gz KZACCRYISZBHSO-OCCSQVGLSA-N 2 0 240.391 1.875 20 0 BDADRP CCC[C@H](C)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000053382881 358826495 /nfs/dbraw/zinc/82/64/95/358826495.db2.gz UVZALIBQZXJMSO-ZDUSSCGKSA-N 2 0 241.423 1.791 20 0 BDADRP COC[C@H](C)C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000578299964 366476420 /nfs/dbraw/zinc/47/64/20/366476420.db2.gz CVQPVMHTXWBGKX-LLVKDONJSA-N 2 0 233.315 1.706 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCc2ccco2)C1 ZINC000086402772 358967100 /nfs/dbraw/zinc/96/71/00/358967100.db2.gz PFZNHINKZSJQFR-MNOVXSKESA-N 2 0 208.305 1.682 20 0 BDADRP CC(C)CCOCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000086403847 358968403 /nfs/dbraw/zinc/96/84/03/358968403.db2.gz MDRPNNDBVAJWQO-STQMWFEESA-N 2 0 228.380 1.909 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000069858056 359034966 /nfs/dbraw/zinc/03/49/66/359034966.db2.gz BNQPMUFJMMTNFP-CHWSQXEVSA-N 2 0 228.380 1.875 20 0 BDADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1nccn1C ZINC000070008186 359037632 /nfs/dbraw/zinc/03/76/32/359037632.db2.gz FVIZGLXXNGCODU-NSHDSACASA-N 2 0 224.352 1.413 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](COC)C(C)C)C1 ZINC000246429203 359083131 /nfs/dbraw/zinc/08/31/31/359083131.db2.gz NCJDXNFGOJJOGB-QWHCGFSZSA-N 2 0 228.380 1.589 20 0 BDADRP COc1cccc([C@H](C)[NH2+]C[C@H]2CC[NH2+]C2)c1 ZINC000423348455 192725027 /nfs/dbraw/zinc/72/50/27/192725027.db2.gz TVTWDFQATNVVMR-RYUDHWBXSA-N 2 0 234.343 1.955 20 0 BDADRP COC[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246962603 359177568 /nfs/dbraw/zinc/17/75/68/359177568.db2.gz BBHBRXFIWVQHJE-STQMWFEESA-N 2 0 226.364 1.439 20 0 BDADRP CC(C)OCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248182667 359258860 /nfs/dbraw/zinc/25/88/60/359258860.db2.gz WRYCUMFPGAYTPL-UONOGXRCSA-N 2 0 240.391 1.828 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623443754 359333822 /nfs/dbraw/zinc/33/38/22/359333822.db2.gz MDVHRWZLSKBJBZ-CHWSQXEVSA-N 2 0 242.407 1.857 20 0 BDADRP Cc1cnccc1C[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000380692943 359352296 /nfs/dbraw/zinc/35/22/96/359352296.db2.gz JDEVEIIBKABAHK-YPMHNXCESA-N 2 0 219.332 1.478 20 0 BDADRP CC[C@H](N[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1CCC[NH2+]1 ZINC000423475392 192786167 /nfs/dbraw/zinc/78/61/67/192786167.db2.gz HWJPTOUECIOJGG-GARJFASQSA-N 2 0 247.333 1.104 20 0 BDADRP CC[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)[C@H]1CCOC1 ZINC000423474810 192786770 /nfs/dbraw/zinc/78/67/70/192786770.db2.gz HNKPSIADOKTYIT-MJBXVCDLSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423532392 192805095 /nfs/dbraw/zinc/80/50/95/192805095.db2.gz RABBWWONNLPVNR-RJZRQDKASA-N 2 0 247.386 1.457 20 0 BDADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000423539700 192807256 /nfs/dbraw/zinc/80/72/56/192807256.db2.gz PCIAXRWSTMURHP-AAEUAGOBSA-N 2 0 224.348 1.453 20 0 BDADRP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H](C)[C@H](C)[NH3+])cc1 ZINC000574988331 359524337 /nfs/dbraw/zinc/52/43/37/359524337.db2.gz XXQWXZOKFHNGPZ-GUBZILKMSA-N 2 0 235.331 1.172 20 0 BDADRP C[NH+](C)C[C@@](C)(O)C[NH2+]CC1(C)CCC1 ZINC000308960541 491141053 /nfs/dbraw/zinc/14/10/53/491141053.db2.gz FZWAVCZNERDZNI-LBPRGKRZSA-N 2 0 214.353 1.079 20 0 BDADRP CC1(C)[C@@H]2C[N@@H+](CC[C@@H]3CC[NH2+]C3)C[C@@H]21 ZINC000379572389 359549076 /nfs/dbraw/zinc/54/90/76/359549076.db2.gz WKGNGTCXQJXORL-SDDRHHMPSA-N 2 0 208.349 1.574 20 0 BDADRP Cc1cc(C[NH2+][C@H](C)CCC[NH3+])cc(C)n1 ZINC000423559697 192812898 /nfs/dbraw/zinc/81/28/98/192812898.db2.gz UDNMHQLPGRPRMX-SNVBAGLBSA-N 2 0 221.348 1.915 20 0 BDADRP CCc1nc(C)cc(N2CCC[NH2+]CC2)n1 ZINC000045951117 359745340 /nfs/dbraw/zinc/74/53/40/359745340.db2.gz YJSUSHUQSXJBFG-UHFFFAOYSA-N 2 0 220.320 1.147 20 0 BDADRP CN(CC[N@H+](C)CCCF)C1CC[NH+](C)CC1 ZINC000180959066 366561909 /nfs/dbraw/zinc/56/19/09/366561909.db2.gz SNSPURTUJVPTJH-UHFFFAOYSA-N 2 0 245.386 1.304 20 0 BDADRP CC[NH2+]CCC[NH2+][C@@H]1C[C@H](OC)C12CCC2 ZINC000578433829 366566372 /nfs/dbraw/zinc/56/63/72/366566372.db2.gz JJPAHQZOJHAWCE-NEPJUHHUSA-N 2 0 226.364 1.533 20 0 BDADRP CC(C)[NH2+]CCCNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+] ZINC000578504851 366581938 /nfs/dbraw/zinc/58/19/38/366581938.db2.gz VPOQBVVMZDMBTC-VXGBXAGGSA-N 2 0 243.395 1.110 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCOC2)CC1(C)C ZINC000623471310 359857638 /nfs/dbraw/zinc/85/76/38/359857638.db2.gz WTUPVUVOOVQWMB-GHMZBOCLSA-N 2 0 212.337 1.238 20 0 BDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CCC(F)(F)C1 ZINC000309119088 491145161 /nfs/dbraw/zinc/14/51/61/491145161.db2.gz MTPRFEBYEZYESA-BBBLOLIVSA-N 2 0 218.291 1.714 20 0 BDADRP [NH3+]Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000578625813 366611103 /nfs/dbraw/zinc/61/11/03/366611103.db2.gz NVYTZZWCEOULCV-DGCLKSJQSA-N 2 0 247.342 1.003 20 0 BDADRP CC(C)CCOCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088329847 359946949 /nfs/dbraw/zinc/94/69/49/359946949.db2.gz NHPYDONJUXJJBP-BETUJISGSA-N 2 0 226.364 1.200 20 0 BDADRP CCCC[NH+]1CCC([NH2+]C2CSC2)CC1 ZINC000309221096 491146293 /nfs/dbraw/zinc/14/62/93/491146293.db2.gz VFTIOFFUNAFXRZ-UHFFFAOYSA-N 2 0 228.405 1.956 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](Cc2cccc(COC)c2)C1 ZINC000088555238 359965478 /nfs/dbraw/zinc/96/54/78/359965478.db2.gz WJWZSZRJZIVTKH-OAHLLOKOSA-N 2 0 248.370 1.874 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc(O)cc1 ZINC000089150308 359993784 /nfs/dbraw/zinc/99/37/84/359993784.db2.gz WCEURTJMGPDKDK-JSGCOSHPSA-N 2 0 234.343 1.652 20 0 BDADRP C[NH+](C)CC1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000089749274 360037365 /nfs/dbraw/zinc/03/73/65/360037365.db2.gz HIJRJQNIVBQJDH-ZDUSSCGKSA-N 3 0 239.407 1.260 20 0 BDADRP CC(C)C[C@H](CN[C@@H]1CCC[C@@H]1C[NH3+])[NH+](C)C ZINC000089147997 359994066 /nfs/dbraw/zinc/99/40/66/359994066.db2.gz OJQAHQHCXQZMPK-MGPQQGTHSA-N 2 0 241.423 1.680 20 0 BDADRP CC[C@@H](C)C[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000093067111 360213848 /nfs/dbraw/zinc/21/38/48/360213848.db2.gz MWXQDJRLHSZUJL-ZIAGYGMSSA-N 2 0 241.423 1.506 20 0 BDADRP CC[C@@H](C)C[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000093067113 360213886 /nfs/dbraw/zinc/21/38/86/360213886.db2.gz MWXQDJRLHSZUJL-KGLIPLIRSA-N 2 0 241.423 1.506 20 0 BDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC1(C)COC1 ZINC000094721565 360316316 /nfs/dbraw/zinc/31/63/16/360316316.db2.gz LPXIOVKUOGVBRA-CHWSQXEVSA-N 2 0 240.391 1.923 20 0 BDADRP CC(C)[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000098143680 360390196 /nfs/dbraw/zinc/39/01/96/360390196.db2.gz UOVGQEOUUKKNIX-ZIAGYGMSSA-N 2 0 242.407 1.713 20 0 BDADRP C[C@H]1[NH2+]CCN(CC[NH2+]C(C)(C)C)[C@H]1C ZINC000414665373 200757192 /nfs/dbraw/zinc/75/71/92/200757192.db2.gz VETBSDHSLFUEQU-MNOVXSKESA-N 2 0 213.369 1.057 20 0 BDADRP C(CN1CC[NH2+]CC1)[NH2+][C@H]1CCC[C@H]1C1CC1 ZINC000414882811 200774151 /nfs/dbraw/zinc/77/41/51/200774151.db2.gz MUFJJRJGVNVDKB-KBPBESRZSA-N 2 0 237.391 1.060 20 0 BDADRP COC1(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CCCC1 ZINC000309637897 491153378 /nfs/dbraw/zinc/15/33/78/491153378.db2.gz JXEZGKXPLVODAA-RYUDHWBXSA-N 2 0 224.348 1.097 20 0 BDADRP Cc1c(C[NH2+]C[C@H]2CC[NH2+][C@H](C)C2)cnn1C ZINC000415099664 200794080 /nfs/dbraw/zinc/79/40/80/200794080.db2.gz GXUFGXHQKZAUEH-PWSUYJOCSA-N 2 0 236.363 1.206 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCO[C@H](C)C1 ZINC000629389841 361036407 /nfs/dbraw/zinc/03/64/07/361036407.db2.gz BVDLSOAUGIDSEZ-NOOOWODRSA-N 2 0 212.337 1.284 20 0 BDADRP C[C@H]1CCCC[C@@H]1C[NH2+]CC1([NH3+])CCOCC1 ZINC000629387703 361039779 /nfs/dbraw/zinc/03/97/79/361039779.db2.gz JKCCFFODTORRJY-QWHCGFSZSA-N 2 0 240.391 1.910 20 0 BDADRP CCC[C@H](C)C[NH2+]CC1([NH3+])CCOCC1 ZINC000629387749 361040147 /nfs/dbraw/zinc/04/01/47/361040147.db2.gz MHUFOTIBKSIFRD-NSHDSACASA-N 2 0 214.353 1.520 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000629388338 361040518 /nfs/dbraw/zinc/04/05/18/361040518.db2.gz MWGLVLGJINWPJN-ZOBORPQBSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@@H]1CCC[C@H]([NH2+]CCOCCC[NH3+])[C@@H]1C ZINC000629399090 361046561 /nfs/dbraw/zinc/04/65/61/361046561.db2.gz CMSYVHVWTCMFED-UPJWGTAASA-N 2 0 228.380 1.766 20 0 BDADRP Cc1ccccc1C[NH2+]CCOCCC[NH3+] ZINC000629397656 361047913 /nfs/dbraw/zinc/04/79/13/361047913.db2.gz AVLGVUURMBZXJI-UHFFFAOYSA-N 2 0 222.332 1.450 20 0 BDADRP Cc1ccsc1C[NH2+]CCOCCC[NH3+] ZINC000629398478 361049294 /nfs/dbraw/zinc/04/92/94/361049294.db2.gz UGYMHKONZVFNMR-UHFFFAOYSA-N 2 0 228.361 1.512 20 0 BDADRP Cc1cccc(C[NH2+]CCOCCC[NH3+])c1C ZINC000629398349 361049524 /nfs/dbraw/zinc/04/95/24/361049524.db2.gz RJKAZRGCDWRGBL-UHFFFAOYSA-N 2 0 236.359 1.758 20 0 BDADRP [NH3+]CCCOCC[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000629399661 361051044 /nfs/dbraw/zinc/05/10/44/361051044.db2.gz JRLBDRGAKZWZOK-UONOGXRCSA-N 2 0 240.391 1.910 20 0 BDADRP [NH3+]C1(C[NH2+][C@H](C2CC2)C2CCC2)CCOCC1 ZINC000629520987 361117972 /nfs/dbraw/zinc/11/79/72/361117972.db2.gz NNARIFRRWBXGEC-ZDUSSCGKSA-N 2 0 238.375 1.663 20 0 BDADRP CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629518661 361118766 /nfs/dbraw/zinc/11/87/66/361118766.db2.gz AOAJPGMKHNBFGF-RYUDHWBXSA-N 2 0 240.391 1.909 20 0 BDADRP [NH3+]CC1CCC([NH2+]CCC[C@H]2CCC[NH2+]2)CC1 ZINC000414970456 219885194 /nfs/dbraw/zinc/88/51/94/219885194.db2.gz UTOQTZMBTPTGJT-ROKHWSDSSA-N 3 0 239.407 1.626 20 0 BDADRP CCO[C@@H](C[NH+]1CCC([NH2+]C)CC1)C1CC1 ZINC000629510374 361108910 /nfs/dbraw/zinc/10/89/10/361108910.db2.gz RGBXBRFOJGCLJR-ZDUSSCGKSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC[C@H]1CCCOC1 ZINC000629510946 361109764 /nfs/dbraw/zinc/10/97/64/361109764.db2.gz YNMDZZZTYLGKDK-QJPTWQEYSA-N 2 0 214.353 1.519 20 0 BDADRP Cc1cccc2c1C[C@H]([NH2+][C@H](C)C1C[NH2+]C1)CO2 ZINC000629513912 361111251 /nfs/dbraw/zinc/11/12/51/361111251.db2.gz JBPCGGZYJDFMLD-YPMHNXCESA-N 2 0 246.354 1.496 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000629515153 361113210 /nfs/dbraw/zinc/11/32/10/361113210.db2.gz ZFLWECABEGSULO-JMSVASOKSA-N 2 0 248.370 1.843 20 0 BDADRP COCCC[C@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000629516611 361115281 /nfs/dbraw/zinc/11/52/81/361115281.db2.gz LRKYDICIHOZKIR-NWDGAFQWSA-N 2 0 226.364 1.676 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCCN1C ZINC000629520137 361115407 /nfs/dbraw/zinc/11/54/07/361115407.db2.gz UECOTXCTSUZOLA-XQQFMLRXSA-N 2 0 225.380 1.058 20 0 BDADRP CC[C@@H]1CC[C@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629520155 361115569 /nfs/dbraw/zinc/11/55/69/361115569.db2.gz KWVVEZGFSIAWMC-GHMZBOCLSA-N 2 0 212.337 1.273 20 0 BDADRP CCO[C@H](C[N@@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1)C1CC1 ZINC000629528445 361136659 /nfs/dbraw/zinc/13/66/59/361136659.db2.gz ZIGPMZLXGJAMBN-IACUBPJLSA-N 2 0 240.391 1.861 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc(C)o1 ZINC000629528603 361136791 /nfs/dbraw/zinc/13/67/91/361136791.db2.gz DRWKFCSNUQCWGH-NSHDSACASA-N 2 0 226.320 1.475 20 0 BDADRP CCO[C@H](C[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1)C1CC1 ZINC000629528447 361137231 /nfs/dbraw/zinc/13/72/31/361137231.db2.gz ZIGPMZLXGJAMBN-MRVWCRGKSA-N 2 0 240.391 1.861 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H](C)CCC1CC1 ZINC000629529657 361143138 /nfs/dbraw/zinc/14/31/38/361143138.db2.gz JUVOCJYCGXHUNX-NSHDSACASA-N 2 0 214.353 1.391 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H](C)C1C(C)(C)C1(C)C ZINC000629529564 361143454 /nfs/dbraw/zinc/14/34/54/361143454.db2.gz HFDNGCDCWPRWII-LLVKDONJSA-N 2 0 242.407 1.883 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H](C1CC1)C1CCC1 ZINC000629530588 361144468 /nfs/dbraw/zinc/14/44/68/361144468.db2.gz KRPMWFVKHUGKSJ-CYBMUJFWSA-N 2 0 226.364 1.391 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CCC12CCCC2 ZINC000629530466 361144553 /nfs/dbraw/zinc/14/45/53/361144553.db2.gz HMCDAJJEHHYETL-GFCCVEGCSA-N 2 0 226.364 1.535 20 0 BDADRP CC[C@@H]([NH2+]CCOCC[NH2+]C)C1CCCC1 ZINC000629531072 361145766 /nfs/dbraw/zinc/14/57/66/361145766.db2.gz ZGBNNMJYRODKOV-CYBMUJFWSA-N 2 0 228.380 1.781 20 0 BDADRP CC[C@H](C)[C@@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629523233 361124147 /nfs/dbraw/zinc/12/41/47/361124147.db2.gz CBUPHIWQHYTWFR-WDEREUQCSA-N 2 0 214.353 1.519 20 0 BDADRP [NH3+]C1(C[NH2+][C@@H]2CCC23CCCC3)CCOCC1 ZINC000629525583 361125611 /nfs/dbraw/zinc/12/56/11/361125611.db2.gz XBVOOCNRNVEHGO-GFCCVEGCSA-N 2 0 238.375 1.807 20 0 BDADRP CC[C@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CCS1 ZINC000158591661 361205293 /nfs/dbraw/zinc/20/52/93/361205293.db2.gz AIIVTJRPLMAWSI-NEPJUHHUSA-N 2 0 228.405 1.813 20 0 BDADRP CCC[N@H+](CC)C[C@@H](C)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000579005280 366694691 /nfs/dbraw/zinc/69/46/91/366694691.db2.gz UGURLOVPAYJQMJ-RDBSUJKOSA-N 2 0 241.423 1.966 20 0 BDADRP C[C@H](CC[NH3+])NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000579006275 366694054 /nfs/dbraw/zinc/69/40/54/366694054.db2.gz XVQVKRMBOQMIDB-NEPJUHHUSA-N 2 0 241.379 1.104 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H](CO)c2ccccc2)C1 ZINC000579140599 366723684 /nfs/dbraw/zinc/72/36/84/366723684.db2.gz JSQBLNDEHCLQQS-KFWWJZLASA-N 2 0 248.370 1.622 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CC[C@H]1CC1(F)F ZINC000622043477 370673948 /nfs/dbraw/zinc/67/39/48/370673948.db2.gz BQDKRTNDURQSKB-UWVGGRQHSA-N 2 0 236.306 1.375 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC[C@@H]1CC1(F)F ZINC000622044038 370675787 /nfs/dbraw/zinc/67/57/87/370675787.db2.gz SEMBPWLOZQAZTG-DJLDLDEBSA-N 2 0 206.280 1.747 20 0 BDADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC1([NH3+])CCCCC1 ZINC000428488168 201023795 /nfs/dbraw/zinc/02/37/95/201023795.db2.gz YZRCUVPLCXPJRV-GHMZBOCLSA-N 2 0 241.379 1.138 20 0 BDADRP CC[C@H]([NH2+]CC[C@H](C)[NH3+])[C@H]1CCOC1 ZINC000622045339 370679569 /nfs/dbraw/zinc/67/95/69/370679569.db2.gz OAPWUWNMDFTJSG-DCAQKATOSA-N 2 0 200.326 1.128 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCCc2c1cnn2C ZINC000622045574 370680041 /nfs/dbraw/zinc/68/00/41/370680041.db2.gz BPOSBCFFOUFXCS-GXSJLCMTSA-N 2 0 222.336 1.124 20 0 BDADRP C[C@H]([NH3+])CCNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000429036870 201061701 /nfs/dbraw/zinc/06/17/01/201061701.db2.gz VBUSQNSJTWGBLB-TUAOUCFPSA-N 2 0 241.379 1.138 20 0 BDADRP CCC[N@H+](C)CC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000429107856 201067785 /nfs/dbraw/zinc/06/77/85/201067785.db2.gz RTAOGYBIOFWPFD-CYBMUJFWSA-N 2 0 249.358 1.144 20 0 BDADRP CC[C@H](C(=O)NC[C@@H]([NH3+])C(C)C)[NH+](CC)CC ZINC000429166722 201075718 /nfs/dbraw/zinc/07/57/18/201075718.db2.gz WZYSQKRIGFEYNR-VXGBXAGGSA-N 2 0 243.395 1.206 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH+]1C)C1(CO)CCC1 ZINC000429233534 201080009 /nfs/dbraw/zinc/08/00/09/201080009.db2.gz MLRGLOMPZNIYBR-LBPRGKRZSA-N 2 0 226.364 1.318 20 0 BDADRP C[N@H+](CCC[NH+]1CCCCC1)C1(CO)CCC1 ZINC000429232289 201081131 /nfs/dbraw/zinc/08/11/31/201081131.db2.gz AWIVBTJKAZQFQS-UHFFFAOYSA-N 2 0 240.391 1.709 20 0 BDADRP CCC[C@H](C)CCC[N@H+](C)C[C@H](O)C[NH3+] ZINC000629539180 361405030 /nfs/dbraw/zinc/40/50/30/361405030.db2.gz VPESFBSPBNNEGB-NWDGAFQWSA-N 2 0 216.369 1.454 20 0 BDADRP C[C@@H]([NH2+]CCOCCC[NH3+])C1CCCC1 ZINC000629539193 361405150 /nfs/dbraw/zinc/40/51/50/361405150.db2.gz OYXKTGGTSYQMBS-LLVKDONJSA-N 2 0 214.353 1.520 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CC[C@@H](C)NC1 ZINC000629535906 361397714 /nfs/dbraw/zinc/39/77/14/361397714.db2.gz DHZNECDGRHYESE-WOPDTQHZSA-N 2 0 213.369 1.234 20 0 BDADRP [NH3+]CCCOCC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000629536341 361398457 /nfs/dbraw/zinc/39/84/57/361398457.db2.gz GDUMQZTUPUFSDX-QWHCGFSZSA-N 2 0 246.370 1.860 20 0 BDADRP CC[C@@H]([NH2+]CCOCCC[NH3+])C1CCCC1 ZINC000629536045 361398674 /nfs/dbraw/zinc/39/86/74/361398674.db2.gz DWLAOASJRRWIPF-CYBMUJFWSA-N 2 0 228.380 1.910 20 0 BDADRP CC[C@@H](C[N@@H+]1CC[C@@H](c2nccn2C)C1)OC ZINC000579369393 366771094 /nfs/dbraw/zinc/77/10/94/366771094.db2.gz BEPXPNWYRPTVHJ-NEPJUHHUSA-N 2 0 237.347 1.634 20 0 BDADRP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629539222 361403891 /nfs/dbraw/zinc/40/38/91/361403891.db2.gz OZRZGEXHHJDWTO-VXGBXAGGSA-N 2 0 228.380 1.766 20 0 BDADRP [NH3+]CCCOCC[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000629540000 361413012 /nfs/dbraw/zinc/41/30/12/361413012.db2.gz RPYVFBPDQUSNGE-QWHCGFSZSA-N 2 0 226.364 1.520 20 0 BDADRP [NH3+]CCCOCC[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000629540001 361413304 /nfs/dbraw/zinc/41/33/04/361413304.db2.gz RPYVFBPDQUSNGE-STQMWFEESA-N 2 0 226.364 1.520 20 0 BDADRP Nc1ncccc1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000629534809 361408838 /nfs/dbraw/zinc/40/88/38/361408838.db2.gz BHXQTTDPYVPNBP-JSGCOSHPSA-N 2 0 246.358 1.225 20 0 BDADRP CC[C@H]1CC[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629535495 361409483 /nfs/dbraw/zinc/40/94/83/361409483.db2.gz CLAACAPZBBQVAY-QWRGUYRKSA-N 2 0 200.326 1.130 20 0 BDADRP CCN(CCO)CC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000309907138 491158061 /nfs/dbraw/zinc/15/80/61/491158061.db2.gz KXRMICICJSFVFO-CHWSQXEVSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1CC[NH2+][C@H]1C ZINC000629544831 361424541 /nfs/dbraw/zinc/42/45/41/361424541.db2.gz JTFMVLJHAZZXMN-OSRDXIQISA-N 2 0 247.386 1.285 20 0 BDADRP O=c1[nH]cccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000629548139 361432459 /nfs/dbraw/zinc/43/24/59/361432459.db2.gz WFAXMQPPIWLORX-CYZMBNFOSA-N 2 0 247.342 1.265 20 0 BDADRP C[N@@H+]1CCC[C@H]1CN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000629548111 361432727 /nfs/dbraw/zinc/43/27/27/361432727.db2.gz CXBHBOLGZQBFBY-AVGNSLFASA-N 2 0 225.380 1.330 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCN(C)CC(F)F ZINC000629554696 361435852 /nfs/dbraw/zinc/43/58/52/361435852.db2.gz NQBRBZNQWWWJBE-QWRGUYRKSA-N 2 0 249.349 1.161 20 0 BDADRP COCC[C@H]1CCC[C@@H]1[NH2+][C@@H]1CC[NH2+]C1 ZINC000629553217 361437374 /nfs/dbraw/zinc/43/73/74/361437374.db2.gz OVPFNSUURLNVGT-UTUOFQBUSA-N 2 0 212.337 1.143 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CCCC12CC2 ZINC000629553567 361439070 /nfs/dbraw/zinc/43/90/70/361439070.db2.gz ADQRSDAYZKJAOO-QWHCGFSZSA-N 2 0 240.391 1.910 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCCC12CC2)C1C[NH2+]C1 ZINC000629554414 361439911 /nfs/dbraw/zinc/43/99/11/361439911.db2.gz IENGDTLYYZPPGT-PWSUYJOCSA-N 2 0 208.349 1.764 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000629549970 361443130 /nfs/dbraw/zinc/44/31/30/361443130.db2.gz UMQFGPBYKQPZPA-YIYPIFLZSA-N 2 0 238.375 1.804 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCN(C)CC(F)F ZINC000629555567 361447250 /nfs/dbraw/zinc/44/72/50/361447250.db2.gz XKOZYWZJPDAYLX-SNVBAGLBSA-N 2 0 237.338 1.290 20 0 BDADRP [NH3+][C@H]1C[C@@H](N[C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000629555605 361447433 /nfs/dbraw/zinc/44/74/33/361447433.db2.gz YXWXOGOOMSBLPT-JIMOISOXSA-N 2 0 217.316 1.083 20 0 BDADRP CCc1ccc([C@@H](C)[NH2+]CCOCCC[NH3+])o1 ZINC000629542188 361418447 /nfs/dbraw/zinc/41/84/47/361418447.db2.gz WMHJOFMJHSGIOK-LLVKDONJSA-N 2 0 240.347 1.858 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]C2CCC(C[NH3+])CC2)CN1 ZINC000629542388 361418991 /nfs/dbraw/zinc/41/89/91/361418991.db2.gz YNEXSQLLVGUJCN-IKWCTNDRSA-N 2 0 225.380 1.234 20 0 BDADRP CCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629564491 361459457 /nfs/dbraw/zinc/45/94/57/361459457.db2.gz LNBAQWNDAKEFFC-DTWKUNHWSA-N 2 0 224.270 1.856 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)[C@H](C)c1cccnc1 ZINC000629570836 361460749 /nfs/dbraw/zinc/46/07/49/361460749.db2.gz NNSSNOQFTPSJMF-GFCCVEGCSA-N 2 0 237.347 1.310 20 0 BDADRP CCN(CC[NH3+])Cc1ccc2c(c1)C[NH2+]CC2 ZINC000629557991 361452023 /nfs/dbraw/zinc/45/20/23/361452023.db2.gz MVHNOMIZOFLYCA-UHFFFAOYSA-N 2 0 233.359 1.113 20 0 BDADRP CCN(CC[NH3+])CCC[NH+]1CCCCC1 ZINC000629558385 361452931 /nfs/dbraw/zinc/45/29/31/361452931.db2.gz YUAOYZXUYGPAIP-UHFFFAOYSA-N 2 0 213.369 1.143 20 0 BDADRP CC[C@H](C(=O)NC[C@@H]([NH3+])c1ccccc1)[NH+](C)C ZINC000629615566 361504979 /nfs/dbraw/zinc/50/49/79/361504979.db2.gz VEILJXIFVJNNID-CHWSQXEVSA-N 2 0 249.358 1.143 20 0 BDADRP CC[N@@H+]1CC[C@H](NCCC[NH+](C)C)[C@H](C)C1 ZINC000151921992 201187798 /nfs/dbraw/zinc/18/77/98/201187798.db2.gz WHINNSFCBLSKAR-OLZOCXBDSA-N 2 0 227.396 1.258 20 0 BDADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccn(C)c1 ZINC000629646812 361535637 /nfs/dbraw/zinc/53/56/37/361535637.db2.gz FKIVJTRKMXXCJF-CMPLNLGQSA-N 2 0 207.321 1.194 20 0 BDADRP CC[C@@H]1C[N@H+](CC2=CCCOC2)CC[C@H]1[NH3+] ZINC000629651957 361558467 /nfs/dbraw/zinc/55/84/67/361558467.db2.gz QREZDUXQSGYBRE-CHWSQXEVSA-N 2 0 224.348 1.392 20 0 BDADRP C1=C(C[NH+]2CCC3(CC[NH2+]C3)CC2)COCC1 ZINC000629654521 361558533 /nfs/dbraw/zinc/55/85/33/361558533.db2.gz QJYCJMAXTOEHGT-UHFFFAOYSA-N 2 0 236.359 1.409 20 0 BDADRP CC[C@H]1C[N@H+](CC2=CCCOC2)CC[C@@H]1[NH3+] ZINC000629651960 361559176 /nfs/dbraw/zinc/55/91/76/361559176.db2.gz QREZDUXQSGYBRE-STQMWFEESA-N 2 0 224.348 1.392 20 0 BDADRP CC(C)C[C@H](C)C[NH2+]CC1([NH3+])CCOCC1 ZINC000629655232 361560347 /nfs/dbraw/zinc/56/03/47/361560347.db2.gz UMKVBVVHSWFZHJ-LBPRGKRZSA-N 2 0 228.380 1.766 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](Cc2ccn(C)c2)C[C@H]1C[NH3+] ZINC000629648049 361538907 /nfs/dbraw/zinc/53/89/07/361538907.db2.gz FUJGJEJVFDBJBB-MBNYWOFBSA-N 2 0 235.375 1.830 20 0 BDADRP Cn1ccc(CN[C@@H](C[NH3+])C(C)(C)C)c1 ZINC000629647850 361539211 /nfs/dbraw/zinc/53/92/11/361539211.db2.gz BXIIENBAWZCHBX-NSHDSACASA-N 2 0 209.337 1.488 20 0 BDADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccn(C)c1 ZINC000629649705 361545977 /nfs/dbraw/zinc/54/59/77/361545977.db2.gz ZZAFQSZVPFAVBL-CMPLNLGQSA-N 2 0 207.321 1.113 20 0 BDADRP COC1(C[NH2+]CC2([NH3+])CCCC2)CCCC1 ZINC000629649908 361546770 /nfs/dbraw/zinc/54/67/70/361546770.db2.gz KPUFJRMTOAILBY-UHFFFAOYSA-N 2 0 226.364 1.807 20 0 BDADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccn(C)c1 ZINC000629649893 361546779 /nfs/dbraw/zinc/54/67/79/361546779.db2.gz JVWCGXHAEUFATP-CMPLNLGQSA-N 2 0 207.321 1.337 20 0 BDADRP [NH3+]CCC1CC[NH+](CC2=CCCOC2)CC1 ZINC000629650011 361546820 /nfs/dbraw/zinc/54/68/20/361546820.db2.gz ODDONKUPZSXWAE-UHFFFAOYSA-N 2 0 224.348 1.394 20 0 BDADRP COC1(C[N@H+](C)C2CC[NH2+]CC2)CCCC1 ZINC000629651190 361555965 /nfs/dbraw/zinc/55/59/65/361555965.db2.gz BYOCBAWHGPISEC-UHFFFAOYSA-N 2 0 226.364 1.629 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](CC2=Cc3ccccc3OC2)C1 ZINC000629651132 361556075 /nfs/dbraw/zinc/55/60/75/361556075.db2.gz AJUVKVPAGQGXPG-LBPRGKRZSA-N 2 0 244.338 1.743 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccn(C)c2)CC[C@H]1[NH3+] ZINC000629651789 361557534 /nfs/dbraw/zinc/55/75/34/361557534.db2.gz JQASNMREZQSPGR-CMPLNLGQSA-N 2 0 207.321 1.194 20 0 BDADRP C[C@@H]1[C@H](O)CCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000448549108 201215343 /nfs/dbraw/zinc/21/53/43/201215343.db2.gz XABXSVSPFBUMQA-FRRDWIJNSA-N 2 0 226.364 1.316 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCOC2)[C@H](C)C1 ZINC000153127065 201221708 /nfs/dbraw/zinc/22/17/08/201221708.db2.gz YAHRIYBSWOHYLL-AGIUHOORSA-N 2 0 226.364 1.343 20 0 BDADRP CC(C)(C)C[NH2+]CCCC[NH+]1CCOCC1 ZINC000163794136 361579221 /nfs/dbraw/zinc/57/92/21/361579221.db2.gz PRLFLTFGEZGECL-UHFFFAOYSA-N 2 0 228.380 1.735 20 0 BDADRP [NH3+]C1CCC([NH2+]Cc2ccccn2)CC1 ZINC000051693371 181341205 /nfs/dbraw/zinc/34/12/05/181341205.db2.gz REYVYFAQYPZIPF-UHFFFAOYSA-N 2 0 205.305 1.441 20 0 BDADRP [NH3+]C1CCC([NH2+]CC2CCOCC2)CC1 ZINC000052178661 181341328 /nfs/dbraw/zinc/34/13/28/181341328.db2.gz CDVRQYBDRWJVTE-UHFFFAOYSA-N 2 0 212.337 1.273 20 0 BDADRP CCC[N@H+](CCC[NH2+]C)C[C@@H]1CCCCO1 ZINC000435880339 201291732 /nfs/dbraw/zinc/29/17/32/201291732.db2.gz ONYBZAADUMYBJU-ZDUSSCGKSA-N 2 0 228.380 1.877 20 0 BDADRP [NH3+]C[C@H](CO)Cc1ccc(C2=CC[NH2+]CC2)cc1 ZINC000629723235 361664941 /nfs/dbraw/zinc/66/49/41/361664941.db2.gz LAJVVHVDYKOWQF-CYBMUJFWSA-N 2 0 246.354 1.173 20 0 BDADRP CCN(Cc1ncc(C)o1)[C@@H]1CCC[NH2+]CC1 ZINC000435613458 201279441 /nfs/dbraw/zinc/27/94/41/201279441.db2.gz JZDGVZLIXYMEMK-GFCCVEGCSA-N 2 0 237.347 1.947 20 0 BDADRP CC[C@@](C)(O)CN1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000310013246 491160074 /nfs/dbraw/zinc/16/00/74/491160074.db2.gz JPTRNZPWMUKYNA-CHWSQXEVSA-N 2 0 228.380 1.610 20 0 BDADRP [NH3+]C1CCC([NH2+][C@H](CO)c2ccccc2)CC1 ZINC000094088955 181342356 /nfs/dbraw/zinc/34/23/56/181342356.db2.gz QGPIBEGHBIBBAN-JXQTWKCFSA-N 2 0 234.343 1.580 20 0 BDADRP CC(C)[NH+]1CCC(NC[C@H]2CCC[N@@H+]2C)CC1 ZINC000154638117 201288024 /nfs/dbraw/zinc/28/80/24/201288024.db2.gz UQWSTMVPAXWPOP-CQSZACIVSA-N 2 0 239.407 1.543 20 0 BDADRP Cc1cc(C2=CC[NH2+]CC2)ccc1C[NH3+] ZINC000629722400 361662399 /nfs/dbraw/zinc/66/23/99/361662399.db2.gz AFRKPEGHNXUTNM-UHFFFAOYSA-N 2 0 202.301 1.830 20 0 BDADRP CC(C)(C[NH3+])c1nc(C2([NH3+])CCCC2)no1 ZINC000435910758 201298739 /nfs/dbraw/zinc/29/87/39/201298739.db2.gz YQRURUJIFFSESI-UHFFFAOYSA-N 2 0 224.308 1.034 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H](C)[C@@H](C)CO)CC1 ZINC000134123969 491162138 /nfs/dbraw/zinc/16/21/38/491162138.db2.gz REPZFRKHRZCECR-RYUDHWBXSA-N 2 0 228.380 1.467 20 0 BDADRP CC(C)[N@H+](C)CCN[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000155735844 201349268 /nfs/dbraw/zinc/34/92/68/201349268.db2.gz KHIMKAGBPJIWIM-QWHCGFSZSA-N 2 0 227.396 1.399 20 0 BDADRP C[NH+](C)CC1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000437584414 201359100 /nfs/dbraw/zinc/35/91/00/201359100.db2.gz RSOHBEXYDYLVFF-AWEZNQCLSA-N 2 0 240.391 1.687 20 0 BDADRP C[C@@H]1C[C@H]([N@H+](C)CC[C@H]2CCOC2)CCN1C ZINC000438105832 201390455 /nfs/dbraw/zinc/39/04/55/201390455.db2.gz PEFHJSHXFNIHSO-HZSPNIEDSA-N 2 0 240.391 1.828 20 0 BDADRP C[C@H]1CCCCN1CC[NH2+]CC[C@H]1CCOC1 ZINC000438086030 201386251 /nfs/dbraw/zinc/38/62/51/201386251.db2.gz REHQRLSOJZORCI-KBPBESRZSA-N 2 0 240.391 1.877 20 0 BDADRP CCCN(CC[NH+](C)C)C(=O)CC1([NH3+])CCC1 ZINC000094295269 487527912 /nfs/dbraw/zinc/52/79/12/487527912.db2.gz XCBSAEONEQOJAF-UHFFFAOYSA-N 2 0 241.379 1.058 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H](C)[C@H](C)O)CC1 ZINC000087129169 364752375 /nfs/dbraw/zinc/75/23/75/364752375.db2.gz JSQRYDAXQQFAJG-QWRGUYRKSA-N 2 0 214.353 1.077 20 0 BDADRP CC(C)(CCC[NH3+])NC(=O)CC1CC[NH2+]CC1 ZINC000573566093 364863659 /nfs/dbraw/zinc/86/36/59/364863659.db2.gz WUGIZIVAZWSYRC-UHFFFAOYSA-N 2 0 241.379 1.010 20 0 BDADRP C[C@@H](O)[C@@H]1CCCN(CC[NH2+]C(C)(C)C)C1 ZINC000573425810 364829230 /nfs/dbraw/zinc/82/92/30/364829230.db2.gz BKSVYKBTJIZAIV-VXGBXAGGSA-N 2 0 228.380 1.467 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCCC[C@H]2O)C1 ZINC000573641232 364881514 /nfs/dbraw/zinc/88/15/14/364881514.db2.gz HPAJNSDRJLUCST-MELADBBJSA-N 2 0 240.391 1.421 20 0 BDADRP C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)[C@H]1CCCC[NH2+]1 ZINC000333342320 541401443 /nfs/dbraw/zinc/40/14/43/541401443.db2.gz YJSAPJLKDFNBFJ-ZDEQEGDKSA-N 2 0 225.380 1.377 20 0 BDADRP [NH3+]CCCCNC(=O)CC1(C[NH3+])CCCCC1 ZINC000229405229 181376379 /nfs/dbraw/zinc/37/63/79/181376379.db2.gz UPEUMGXWUFJJHD-UHFFFAOYSA-N 2 0 241.379 1.141 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000168568305 364961799 /nfs/dbraw/zinc/96/17/99/364961799.db2.gz HFNDQTUVSPPCSD-SRVKXCTJSA-N 2 0 212.337 1.225 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(CO)CCC2)[C@@H](C)C1 ZINC000248496857 541430203 /nfs/dbraw/zinc/43/02/03/541430203.db2.gz QXZJSBAKRHSORI-STQMWFEESA-N 2 0 240.391 1.469 20 0 BDADRP [NH3+]CCC[N@H+](Cc1ccccc1)C1CC1 ZINC000036883465 181379400 /nfs/dbraw/zinc/37/94/00/181379400.db2.gz YQUAVKNRIYOMAD-UHFFFAOYSA-N 2 0 204.317 2.000 20 0 BDADRP CCOCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151193307 541440117 /nfs/dbraw/zinc/44/01/17/541440117.db2.gz WUIIUIRXVPVKDT-UHFFFAOYSA-N 2 0 249.358 1.630 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@@H](F)C1)[C@H]1CCC[NH2+]1 ZINC000574084072 364979748 /nfs/dbraw/zinc/97/97/48/364979748.db2.gz SRWCPVOTBCEITE-WHOHXGKFSA-N 2 0 214.328 1.997 20 0 BDADRP [NH3+]CCCN1CCc2cccc(F)c2C1 ZINC000082791009 181381075 /nfs/dbraw/zinc/38/10/75/181381075.db2.gz SALOIEDKIBZFLZ-UHFFFAOYSA-N 2 0 208.280 1.533 20 0 BDADRP C[C@@]1(c2nc(C3([NH3+])CCCC3)no2)CC[NH2+]C1 ZINC000574451892 365065059 /nfs/dbraw/zinc/06/50/59/365065059.db2.gz SPBXLVGIZAWFQN-LLVKDONJSA-N 2 0 236.319 1.049 20 0 BDADRP C[C@H](CCC[NH3+])NC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000574451796 365065434 /nfs/dbraw/zinc/06/54/34/365065434.db2.gz MZSZPTDKNATGPL-IJLUTSLNSA-N 2 0 241.379 1.138 20 0 BDADRP COC[C@H](C)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000574749559 365132291 /nfs/dbraw/zinc/13/22/91/365132291.db2.gz KDBCVCJXZUUCLC-OLZOCXBDSA-N 2 0 240.391 1.733 20 0 BDADRP Cc1ccc(CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)nc1 ZINC000574822631 365153920 /nfs/dbraw/zinc/15/39/20/365153920.db2.gz MOKKYJXCCJBTQT-GXTWGEPZSA-N 2 0 233.359 1.792 20 0 BDADRP Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442924014 193004899 /nfs/dbraw/zinc/00/48/99/193004899.db2.gz XDQMIFJUBUGORY-LBPRGKRZSA-N 2 0 236.363 1.587 20 0 BDADRP [NH3+][C@@H]1C[C@@H](NCC[C@H]2CCC[NH2+]2)c2ccccc21 ZINC000575051823 365178852 /nfs/dbraw/zinc/17/88/52/365178852.db2.gz KYXRQTGYZNZNTN-KCPJHIHWSA-N 2 0 245.370 1.863 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCOC[C@H]1CCCO1 ZINC000575372964 365303618 /nfs/dbraw/zinc/30/36/18/365303618.db2.gz OQZYOGFUEYEIOK-CHWSQXEVSA-N 2 0 244.379 1.289 20 0 BDADRP C[NH2+]CCC[NH2+][C@H](C)Cc1ccsc1 ZINC000575774521 365361132 /nfs/dbraw/zinc/36/11/32/365361132.db2.gz RJAJQEIEAAGYHO-SNVBAGLBSA-N 2 0 212.362 1.878 20 0 BDADRP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000576122152 365494306 /nfs/dbraw/zinc/49/43/06/365494306.db2.gz XUHSMHVJIJABDE-UMSGYPCISA-N 2 0 226.364 1.804 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)CC[NH2+]C2CC2)c1 ZINC000579732214 366998050 /nfs/dbraw/zinc/99/80/50/366998050.db2.gz SAONMYWSJWDZKP-UHFFFAOYSA-N 2 0 247.342 1.534 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1NCC[C@H]1CCC[NH2+]1 ZINC000579822987 367023838 /nfs/dbraw/zinc/02/38/38/367023838.db2.gz DKUZMFZWSVWZFG-JHJVBQTASA-N 3 0 225.380 1.378 20 0 BDADRP COc1cc(C[N@H+](C)CCC[NH3+])ccc1C ZINC000382084445 367484138 /nfs/dbraw/zinc/48/41/38/367484138.db2.gz RYGSFMIDZQGTBA-UHFFFAOYSA-N 2 0 222.332 1.784 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+]CC[C@H]2CCOC2)C1 ZINC000381621819 367440198 /nfs/dbraw/zinc/44/01/98/367440198.db2.gz AIGYYHWMVNLGCD-STQMWFEESA-N 2 0 226.364 1.344 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1NCCC[NH2+]C1CC1 ZINC000382562843 367540762 /nfs/dbraw/zinc/54/07/62/367540762.db2.gz YRDKYXFCCKRFGY-DGCLKSJQSA-N 2 0 225.380 1.058 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000383248439 367609527 /nfs/dbraw/zinc/60/95/27/367609527.db2.gz WBMOZCKPTUJRBD-VHSXEESVSA-N 2 0 218.291 1.749 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(O)c1 ZINC000383635166 367646666 /nfs/dbraw/zinc/64/66/66/367646666.db2.gz AIQHEYSUTMGFEA-OCCSQVGLSA-N 2 0 234.343 1.999 20 0 BDADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@@H](C)CC1 ZINC000581613086 367634308 /nfs/dbraw/zinc/63/43/08/367634308.db2.gz QZUZEFKHISEELV-NEPJUHHUSA-N 2 0 214.353 1.079 20 0 BDADRP CC[C@@H]1[C@H](C)CC[N@@H+]1C[C@@H](O)CN(C)CC ZINC000384040951 367669223 /nfs/dbraw/zinc/66/92/23/367669223.db2.gz UPKZBWHLPOTIBU-FRRDWIJNSA-N 2 0 228.380 1.419 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC(C)(C)CCC[NH3+] ZINC000566010713 325983828 /nfs/dbraw/zinc/98/38/28/325983828.db2.gz WEHRGDMZNZXGGQ-QWRGUYRKSA-N 2 0 241.379 1.008 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@@H](C)CCCO)CC1 ZINC000384329986 367685719 /nfs/dbraw/zinc/68/57/19/367685719.db2.gz AFIDSAKCRXXYEQ-LBPRGKRZSA-N 2 0 228.380 1.469 20 0 BDADRP C[C@@H](CCCO)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000384385701 367688190 /nfs/dbraw/zinc/68/81/90/367688190.db2.gz MEIYNOMNBLMGAY-RYUDHWBXSA-N 2 0 216.369 1.502 20 0 BDADRP Cc1cnccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000385027912 367774329 /nfs/dbraw/zinc/77/43/29/367774329.db2.gz JSUVIYMKACWBCN-SOUVJXGZSA-N 2 0 245.370 1.949 20 0 BDADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)[C@H](C)O)CC1 ZINC000566115140 325997754 /nfs/dbraw/zinc/99/77/54/325997754.db2.gz HLKOETGAPANKTD-RYUDHWBXSA-N 2 0 228.380 1.467 20 0 BDADRP CC(C)(CO)CC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000385953194 367889825 /nfs/dbraw/zinc/88/98/25/367889825.db2.gz XVBQOVYPHYGQEP-VXGBXAGGSA-N 2 0 228.380 1.502 20 0 BDADRP C[C@@H](NCC[NH+]1CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000386046895 367903655 /nfs/dbraw/zinc/90/36/55/367903655.db2.gz UNXRGQFXXIXMHC-KGLIPLIRSA-N 2 0 239.407 1.593 20 0 BDADRP CO[C@H](C)CC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386542699 367989112 /nfs/dbraw/zinc/98/91/12/367989112.db2.gz DTAFXKHOWHGAQH-UTUOFQBUSA-N 2 0 214.353 1.532 20 0 BDADRP CCOCCC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386605588 368000163 /nfs/dbraw/zinc/00/01/63/368000163.db2.gz VQQUVYNTTRCVEQ-VXGBXAGGSA-N 2 0 214.353 1.533 20 0 BDADRP CC(C)OCCC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386618571 368003158 /nfs/dbraw/zinc/00/31/58/368003158.db2.gz XTXGILUEPMOFFA-OLZOCXBDSA-N 2 0 228.380 1.922 20 0 BDADRP C[C@H]([NH2+]CC(C)(C)CCO)[C@H]1CCCC[NH2+]1 ZINC000386625892 368003410 /nfs/dbraw/zinc/00/34/10/368003410.db2.gz YXDGBGXYBZJZNH-NWDGAFQWSA-N 2 0 228.380 1.515 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@H]2CCCCO2)C1 ZINC000252789156 368063502 /nfs/dbraw/zinc/06/35/02/368063502.db2.gz RKIAOQOSBHUMED-SDDRHHMPSA-N 2 0 212.337 1.225 20 0 BDADRP C[C@H]1C[C@@H](C[N@H+](C)Cc2nccs2)CC[NH2+]1 ZINC000387300639 368144826 /nfs/dbraw/zinc/14/48/26/368144826.db2.gz NIJPGSMRTAFDJL-QWRGUYRKSA-N 2 0 239.388 1.963 20 0 BDADRP Cc1cc(N2CC[NH+](C3CC3)CC2)nc(C)n1 ZINC000067384059 368686969 /nfs/dbraw/zinc/68/69/69/368686969.db2.gz GIIGIXUTDMSWPH-UHFFFAOYSA-N 2 0 232.331 1.378 20 0 BDADRP Cc1nccnc1C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000631829099 369004541 /nfs/dbraw/zinc/00/45/41/369004541.db2.gz GYEYMLVSUORCFS-BXUZGUMPSA-N 2 0 248.374 1.734 20 0 BDADRP Cc1ncccc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631836863 369084453 /nfs/dbraw/zinc/08/44/53/369084453.db2.gz IEIRHZDMSFJHSE-ZWNOBZJWSA-N 2 0 219.332 1.417 20 0 BDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459724947 203341144 /nfs/dbraw/zinc/34/11/44/203341144.db2.gz FJASZJHSBOYESI-RDBSUJKOSA-N 2 0 239.407 1.258 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@@H]2CCCOC2)C1 ZINC000459744736 203351103 /nfs/dbraw/zinc/35/11/03/203351103.db2.gz XTLUFZMAESMYOS-KGLIPLIRSA-N 2 0 240.391 1.735 20 0 BDADRP Cc1ccc(O)c(C[NH2+][C@@H](C)C[C@H](C)[NH3+])n1 ZINC000567870756 326273595 /nfs/dbraw/zinc/27/35/95/326273595.db2.gz LNKPPAXDRJRWRM-WPRPVWTQSA-N 2 0 223.320 1.311 20 0 BDADRP CC(C)OCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252882216 370138098 /nfs/dbraw/zinc/13/80/98/370138098.db2.gz ZGCLQYZWMKLWDW-RWMBFGLXSA-N 2 0 226.364 1.471 20 0 BDADRP COC[C@@H](C)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000309574654 370231977 /nfs/dbraw/zinc/23/19/77/370231977.db2.gz OHHGNIVJEWYEBJ-RWMBFGLXSA-N 2 0 226.364 1.200 20 0 BDADRP FC1(C[NH+]2CCC3(CC[NH2+]C3)CC2)CC1 ZINC000309823978 370264542 /nfs/dbraw/zinc/26/45/42/370264542.db2.gz GYILZCXVEWVCPT-UHFFFAOYSA-N 2 0 212.312 1.564 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000621372119 370310144 /nfs/dbraw/zinc/31/01/44/370310144.db2.gz PMPRXSGNPJCRQE-ZIAGYGMSSA-N 2 0 242.407 1.669 20 0 BDADRP C[C@@H](CCC[NH3+])NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621658311 370415811 /nfs/dbraw/zinc/41/58/11/370415811.db2.gz FABJGXXAHKWVNP-RYUDHWBXSA-N 2 0 241.379 1.010 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C(=O)NCC[C@H](C)[NH3+])cc1 ZINC000621702827 370449682 /nfs/dbraw/zinc/44/96/82/370449682.db2.gz HHLYJFXRGUOMRN-VHSXEESVSA-N 2 0 235.331 1.173 20 0 BDADRP C[NH2+]CC1CC[NH+](Cc2ccnc(C)c2)CC1 ZINC000621774349 370519623 /nfs/dbraw/zinc/51/96/23/370519623.db2.gz RIPAYUYUHZWCIK-UHFFFAOYSA-N 2 0 233.359 1.821 20 0 BDADRP C[NH2+]C[C@@H]1CCCN(Cc2ccnc(C)c2)C1 ZINC000621773784 370518489 /nfs/dbraw/zinc/51/84/89/370518489.db2.gz BSQKJTKMFBWBFU-AWEZNQCLSA-N 2 0 233.359 1.821 20 0 BDADRP CCn1cc(CC[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cn1 ZINC000621776288 370524125 /nfs/dbraw/zinc/52/41/25/370524125.db2.gz IBGSZWHVSOGUHL-AAEUAGOBSA-N 2 0 236.363 1.257 20 0 BDADRP CCO[C@@H]1CN(Cc2ccnc(C)c2)C[C@H]1C[NH3+] ZINC000621776649 370525411 /nfs/dbraw/zinc/52/54/11/370525411.db2.gz RDDPDOIDSDGRNN-ZIAGYGMSSA-N 2 0 249.358 1.186 20 0 BDADRP Cc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)ccn1 ZINC000621776588 370526079 /nfs/dbraw/zinc/52/60/79/370526079.db2.gz PQFDCLPQCZJVGG-RISCZKNCSA-N 2 0 233.359 1.807 20 0 BDADRP c1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc2c1CCC2 ZINC000078838118 370605918 /nfs/dbraw/zinc/60/59/18/370605918.db2.gz QZQJWKFBYUWLTD-HZPDHXFCSA-N 2 0 242.366 1.827 20 0 BDADRP C(CN1CCC[C@@H]2C[NH2+]CC[C@@H]21)[C@@H]1CC[NH2+]C1 ZINC000631890341 371005691 /nfs/dbraw/zinc/00/56/91/371005691.db2.gz OVQZZJZXNOCPCV-MJBXVCDLSA-N 2 0 237.391 1.060 20 0 BDADRP C[C@H](C[NH2+]CC1(C)CC1)N1CC[NH+](C)CC1 ZINC000390511536 371212025 /nfs/dbraw/zinc/21/20/25/371212025.db2.gz ZTBIYNXGZDMWMU-GFCCVEGCSA-N 2 0 225.380 1.012 20 0 BDADRP [NH3+][C@@H]1C[C@@H](N[C@H]2CCCC[NH2+]C2)c2ccccc21 ZINC000333829226 181597767 /nfs/dbraw/zinc/59/77/67/181597767.db2.gz MFOLTDJBZAVHOA-NILFDRSVSA-N 2 0 245.370 1.863 20 0 BDADRP [NH3+][C@H]1C[C@@H](N[C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000333336984 181658287 /nfs/dbraw/zinc/65/82/87/181658287.db2.gz XGXLMGXNMSKJDI-LEWSCRJBSA-N 2 0 231.343 1.473 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H](OC)C2)[C@H](C)C1 ZINC000624309601 371471597 /nfs/dbraw/zinc/47/15/97/371471597.db2.gz RSMXPCCUVOPGBK-MQYQWHSLSA-N 2 0 240.391 1.731 20 0 BDADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@](C)(O)C1 ZINC000161890288 371578325 /nfs/dbraw/zinc/57/83/25/371578325.db2.gz TVGZXACRYXXBJO-KBPBESRZSA-N 2 0 240.391 1.708 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000230463830 371913874 /nfs/dbraw/zinc/91/38/74/371913874.db2.gz JAJJHFKDIIARNX-RGDJUOJXSA-N 2 0 238.375 1.242 20 0 BDADRP C[C@H](C[NH2+]Cc1ccc(=O)[nH]c1)C[NH+](C)C ZINC000631139935 372206766 /nfs/dbraw/zinc/20/67/66/372206766.db2.gz MBJGMSZIHSTKTA-SNVBAGLBSA-N 2 0 223.320 1.075 20 0 BDADRP C[NH2+]CCC1CC[NH+](C[C@H]2CCO[C@@H]2C)CC1 ZINC000631824061 372602487 /nfs/dbraw/zinc/60/24/87/372602487.db2.gz VBQLKKPIVNWIDG-TZMCWYRMSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000631820502 372593229 /nfs/dbraw/zinc/59/32/29/372593229.db2.gz BBWWORVPCJPKGN-RYUDHWBXSA-N 2 0 238.375 1.628 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](Cc2cccc3c2CCOC3)C1 ZINC000631820489 372593835 /nfs/dbraw/zinc/59/38/35/372593835.db2.gz AXGGHBKZSJJKOF-GFCCVEGCSA-N 2 0 246.354 1.540 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H]2CCO[C@@H]2C)C1 ZINC000631821372 372595459 /nfs/dbraw/zinc/59/54/59/372595459.db2.gz WJROGGZVZZHCAB-AGIUHOORSA-N 2 0 226.364 1.343 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C[C@H]1C[NH3+] ZINC000631836985 372625733 /nfs/dbraw/zinc/62/57/33/372625733.db2.gz KXOMWVKWTPKPHC-UJPOAAIJSA-N 2 0 208.349 1.559 20 0 BDADRP COc1cccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000631838943 372634412 /nfs/dbraw/zinc/63/44/12/372634412.db2.gz XHXREPUQNAOPIU-DGCLKSJQSA-N 2 0 234.343 1.722 20 0 BDADRP C[C@H](c1ccncc1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631840025 372636115 /nfs/dbraw/zinc/63/61/15/372636115.db2.gz OJXSJWZVYJMDGC-NQBHXWOUSA-N 2 0 219.332 1.669 20 0 BDADRP Cc1cccc(OCC[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000631843190 372640870 /nfs/dbraw/zinc/64/08/70/372640870.db2.gz KDNSMHMLXCPQRW-ZIAGYGMSSA-N 2 0 248.370 1.900 20 0 BDADRP CCOCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631883898 372679736 /nfs/dbraw/zinc/67/97/36/372679736.db2.gz DAWMGYCYFGWGLD-NWDGAFQWSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H]1C[N@H+](CC2=CCCOC2)CC[C@@H]1[NH3+] ZINC000379754780 373055865 /nfs/dbraw/zinc/05/58/65/373055865.db2.gz SUXOGWRBNMGPCR-PWSUYJOCSA-N 2 0 210.321 1.002 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)[C@H](C[NH3+])C(C)C)cc1 ZINC000449625008 205495228 /nfs/dbraw/zinc/49/52/28/205495228.db2.gz QQRHYHOBPMWISJ-CYBMUJFWSA-N 2 0 249.358 1.575 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)O)[C@H](C)C1 ZINC000173647403 205545080 /nfs/dbraw/zinc/54/50/80/205545080.db2.gz ZTPMKOLFQFEDGW-GHMZBOCLSA-N 2 0 214.353 1.077 20 0 BDADRP C(C[NH2+]C[C@H]1CCC[NH2+]C1)C[C@H]1CCC[NH2+]1 ZINC000414960941 205795150 /nfs/dbraw/zinc/79/51/50/205795150.db2.gz AVRJXJJVJSLUDN-STQMWFEESA-N 3 0 225.380 1.108 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])[C@@H]1CCCO1 ZINC000424382146 206040202 /nfs/dbraw/zinc/04/02/02/206040202.db2.gz ZXHUIMBCCFTDHJ-QCNOEVLYSA-N 2 0 212.337 1.413 20 0 BDADRP COCC[C@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430910162 206061989 /nfs/dbraw/zinc/06/19/89/206061989.db2.gz DSWAJGDFCFTEQB-LBPRGKRZSA-N 2 0 226.364 1.487 20 0 BDADRP COCC(C)(C)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000430130228 206062777 /nfs/dbraw/zinc/06/27/77/206062777.db2.gz WDDBXEBOLZXFKB-CQSZACIVSA-N 2 0 240.391 1.687 20 0 BDADRP CCC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000450449629 206103408 /nfs/dbraw/zinc/10/34/08/206103408.db2.gz FRASPVFNMOZFRF-KBPBESRZSA-N 2 0 242.407 1.811 20 0 BDADRP CCCCOCC[NH2+][C@H](C)CCC[NH3+] ZINC000308550906 168904020 /nfs/dbraw/zinc/90/40/20/168904020.db2.gz RVBHTBFPQKNANE-LLVKDONJSA-N 2 0 202.342 1.520 20 0 BDADRP C[C@@H]1COC[C@H](C)[N@H+]1CC1CC[NH2+]CC1 ZINC000178974764 134314363 /nfs/dbraw/zinc/31/43/63/134314363.db2.gz IEBGETRPCQVODL-PHIMTYICSA-N 2 0 212.337 1.095 20 0 BDADRP OCC[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280476942 183076086 /nfs/dbraw/zinc/07/60/86/183076086.db2.gz PHSZPZOBZOWOSV-GASCZTMLSA-N 2 0 246.354 1.043 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)N1CCC([NH+](C)C)CC1 ZINC000037619508 169006169 /nfs/dbraw/zinc/00/61/69/169006169.db2.gz KZNBJPMWEUKXBT-LBPRGKRZSA-N 2 0 241.379 1.057 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000040503687 169007603 /nfs/dbraw/zinc/00/76/03/169007603.db2.gz MJCVXOHSJFQLFZ-RYUDHWBXSA-N 2 0 241.379 1.104 20 0 BDADRP OC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000129247673 183106308 /nfs/dbraw/zinc/10/63/08/183106308.db2.gz VXKZSECDCCJHMP-LSDHHAIUSA-N 2 0 248.370 1.322 20 0 BDADRP CCC[NH+](CCC)CCCNC(=O)[C@@H](C)C[NH3+] ZINC000357199691 169147412 /nfs/dbraw/zinc/14/74/12/169147412.db2.gz LQKPGJYMNIXLAM-LBPRGKRZSA-N 2 0 243.395 1.210 20 0 BDADRP CCC[NH+]1CCC([N@H+](C)C[C@H](O)C(C)C)CC1 ZINC000336721989 169186395 /nfs/dbraw/zinc/18/63/95/169186395.db2.gz XTUPBSKRJKGYOY-AWEZNQCLSA-N 2 0 242.407 1.810 20 0 BDADRP CCC[NH+]1CCC([NH2+]CC[C@H](C)OC)CC1 ZINC000336748137 169187850 /nfs/dbraw/zinc/18/78/50/169187850.db2.gz XVRHGLYNNPPTQD-LBPRGKRZSA-N 2 0 228.380 1.875 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@@]2(C)CCOC2)CC1 ZINC000360245443 169187888 /nfs/dbraw/zinc/18/78/88/169187888.db2.gz ONQLYHGCLWQMQC-CQSZACIVSA-N 2 0 240.391 1.877 20 0 BDADRP CCC[NH+]1CCC([NH2+]CCOCCOC)CC1 ZINC000044693442 169188041 /nfs/dbraw/zinc/18/80/41/169188041.db2.gz QWJNTDQNELJCRK-UHFFFAOYSA-N 2 0 244.379 1.113 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@@H](OC)C2CC2)CC1 ZINC000340489147 169188365 /nfs/dbraw/zinc/18/83/65/169188365.db2.gz QYKMBRLNJUIQBQ-CQSZACIVSA-N 2 0 240.391 1.875 20 0 BDADRP CCC[NH+]1CCC(N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000128915596 169190089 /nfs/dbraw/zinc/19/00/89/169190089.db2.gz HZKLIVOMQNXFMC-CYBMUJFWSA-N 2 0 239.407 1.593 20 0 BDADRP c1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)cs1 ZINC000063147263 183350867 /nfs/dbraw/zinc/35/08/67/183350867.db2.gz ZVNKHFZQWDTKFC-JTQLQIEISA-N 2 0 210.346 1.837 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000296576021 169285600 /nfs/dbraw/zinc/28/56/00/169285600.db2.gz WNDKJXMIYLMHFF-LLVKDONJSA-N 2 0 249.358 1.733 20 0 BDADRP CCC[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000037019532 169391708 /nfs/dbraw/zinc/39/17/08/169391708.db2.gz NAXVCTBCMDSUAD-CYBMUJFWSA-N 2 0 249.358 1.814 20 0 BDADRP CC[C@@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)C[C@H]1O ZINC000341009126 171084543 /nfs/dbraw/zinc/08/45/43/171084543.db2.gz LMEPQFPIKUKNOE-HZSPNIEDSA-N 2 0 240.391 1.564 20 0 BDADRP CCC(CC)(CO)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226864145 134370429 /nfs/dbraw/zinc/37/04/29/134370429.db2.gz SYNXIPMXSDPGEW-STQMWFEESA-N 2 0 242.407 1.857 20 0 BDADRP C[C@H]1CCC[C@@H]([NH2+]CCOCC[NH+](C)C)C1 ZINC000226745131 134370699 /nfs/dbraw/zinc/37/06/99/134370699.db2.gz DHBJZWXZOPLNFW-QWHCGFSZSA-N 2 0 228.380 1.733 20 0 BDADRP Cc1ccc(C[NH+]2CCC(CC[NH3+])CC2)cn1 ZINC000228858962 259636806 /nfs/dbraw/zinc/63/68/06/259636806.db2.gz HDEFMKLLIZTFNK-UHFFFAOYSA-N 2 0 233.359 1.951 20 0 BDADRP CCOC[C@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000308654777 383879717 /nfs/dbraw/zinc/87/97/17/383879717.db2.gz MWVHSLLLQRZLFJ-MNOVXSKESA-N 2 0 202.342 1.519 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@@H]1c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000647148675 383895739 /nfs/dbraw/zinc/89/57/39/383895739.db2.gz UZQRUMXIRKZQNT-GUBZILKMSA-N 2 0 236.319 1.350 20 0 BDADRP CCC[C@@](C)([NH3+])c1nc(C[C@@H](C)[NH2+]C)no1 ZINC000569361514 383898268 /nfs/dbraw/zinc/89/82/68/383898268.db2.gz CMYPJWODGYGVGP-LDYMZIIASA-N 2 0 226.324 1.194 20 0 BDADRP CC[C@@H](O)[C@@H](CC)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000313113650 383903160 /nfs/dbraw/zinc/90/31/60/383903160.db2.gz NXFAGOXNDCOFOF-ZIAGYGMSSA-N 2 0 242.407 1.998 20 0 BDADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]([NH3+])c1ccccc1C ZINC000449505376 383978954 /nfs/dbraw/zinc/97/89/54/383978954.db2.gz XDARQKZEIFYLBG-YPMHNXCESA-N 2 0 249.358 1.109 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@H]1CO[C@H](C)C1 ZINC000401801475 384036229 /nfs/dbraw/zinc/03/62/29/384036229.db2.gz UQHJIHZYRCAPKE-VXGBXAGGSA-N 2 0 214.353 1.485 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)[C@@H](C)O1 ZINC000643548387 384036542 /nfs/dbraw/zinc/03/65/42/384036542.db2.gz OPNGYRFNHITFTH-NDBYEHHHSA-N 2 0 238.375 1.817 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643548701 384040356 /nfs/dbraw/zinc/04/03/56/384040356.db2.gz TZQLFBLLBLFZLF-QWHCGFSZSA-N 3 0 239.407 1.768 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000569458665 384065604 /nfs/dbraw/zinc/06/56/04/384065604.db2.gz GQYARGMVSQQATI-XQQFMLRXSA-N 3 0 225.380 1.045 20 0 BDADRP C[C@@H]1[C@H](C)N(CC[NH+]2CCCCC2)CC[N@H+]1C ZINC000335895730 384093503 /nfs/dbraw/zinc/09/35/03/384093503.db2.gz AUKUHRFBZLPBRW-KGLIPLIRSA-N 2 0 239.407 1.497 20 0 BDADRP CC(C)[C@H](O)CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000569503112 384135131 /nfs/dbraw/zinc/13/51/31/384135131.db2.gz NUIYAPVASXGNNK-QJPTWQEYSA-N 2 0 214.353 1.253 20 0 BDADRP CC[C@H](O)C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000229967163 259645314 /nfs/dbraw/zinc/64/53/14/259645314.db2.gz NIPJNDAIYSSCEH-ZWKOPEQDSA-N 2 0 220.316 1.492 20 0 BDADRP CC[C@@H]([NH2+]CCc1cn(C)cn1)C(C)C ZINC000313253565 384163827 /nfs/dbraw/zinc/16/38/27/384163827.db2.gz NKZMYNCMDILTCS-GFCCVEGCSA-N 2 0 209.337 1.987 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CO[C@H](C)C1)C[NH+]1CCCC1 ZINC000401873378 384185297 /nfs/dbraw/zinc/18/52/97/384185297.db2.gz DAPKGXSNIDGVKA-UPJWGTAASA-N 2 0 226.364 1.485 20 0 BDADRP COC[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)C1CC1 ZINC000397236419 384235004 /nfs/dbraw/zinc/23/50/04/384235004.db2.gz IWHMCUAWWNBIRM-NEPJUHHUSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H](C(=O)NCC(C)(C)[NH3+])[NH+]1CCCCCC1 ZINC000237469171 384220820 /nfs/dbraw/zinc/22/08/20/384220820.db2.gz HPDFLLXBQNOWRC-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP COC1(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)CCCC1 ZINC000319239328 384222812 /nfs/dbraw/zinc/22/28/12/384222812.db2.gz WKJJVQOZZTUGCY-NWDGAFQWSA-N 2 0 226.364 1.615 20 0 BDADRP CC[N@H+](C[C@@H]1CCCO1)CC1CC[NH2+]CC1 ZINC000042471333 384226259 /nfs/dbraw/zinc/22/62/59/384226259.db2.gz OFSQSGKSOVWDHY-ZDUSSCGKSA-N 2 0 226.364 1.487 20 0 BDADRP [NH3+]CC[C@H]1CCC[N@H+](CC2CCOCC2)C1 ZINC000069626523 384246935 /nfs/dbraw/zinc/24/69/35/384246935.db2.gz IVQUQWXEVBJHII-GFCCVEGCSA-N 2 0 226.364 1.474 20 0 BDADRP CC[NH2+]CC1CC[NH+](CC(C)(C)O)CC1 ZINC000082645657 384252688 /nfs/dbraw/zinc/25/26/88/384252688.db2.gz HWUMYJGQQZOZSU-UHFFFAOYSA-N 2 0 214.353 1.079 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](CC[C@H]2CCCO2)C[C@H]1C[NH3+] ZINC000397476082 384253813 /nfs/dbraw/zinc/25/38/13/384253813.db2.gz GWVQDZBLSHILBK-XJFOESAGSA-N 2 0 240.391 1.861 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCCCO2)C1 ZINC000173887785 384275561 /nfs/dbraw/zinc/27/55/61/384275561.db2.gz QONSYUWEQSGOGJ-KBPBESRZSA-N 2 0 240.391 1.829 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](CCCCOC)C1 ZINC000173908925 384283751 /nfs/dbraw/zinc/28/37/51/384283751.db2.gz OHVCKFGASBXKKR-CYBMUJFWSA-N 2 0 228.380 1.687 20 0 BDADRP COCCC[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000300055651 384285861 /nfs/dbraw/zinc/28/58/61/384285861.db2.gz JJBXPAVMVUYQAU-VXGBXAGGSA-N 2 0 214.353 1.343 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)CO1 ZINC000401929017 384292317 /nfs/dbraw/zinc/29/23/17/384292317.db2.gz UKEQGLKUWSKKOH-ZYHUDNBSSA-N 2 0 210.321 1.015 20 0 BDADRP Cc1ccc(C)c(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)c1 ZINC000313364231 384296130 /nfs/dbraw/zinc/29/61/30/384296130.db2.gz XOVQUOQRWSVRPF-HNNXBMFYSA-N 2 0 248.370 1.853 20 0 BDADRP c1coc(C[NH2+]CCCC[NH+]2CCOCC2)c1 ZINC000120626167 384366550 /nfs/dbraw/zinc/36/65/50/384366550.db2.gz CBXJYPFSHAHUAP-UHFFFAOYSA-N 2 0 238.331 1.482 20 0 BDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCOCC(F)(F)F ZINC000405479350 384369388 /nfs/dbraw/zinc/36/93/88/384369388.db2.gz MTCHZHMVAIYMKW-YUMQZZPRSA-N 2 0 240.269 1.281 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+]CC(C)(C)C[NH+](C)C ZINC000096033414 384424297 /nfs/dbraw/zinc/42/42/97/384424297.db2.gz QXZOUSARSUBJQP-QWRGUYRKSA-N 2 0 214.353 1.341 20 0 BDADRP Cc1ccncc1CN[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000229594737 384383880 /nfs/dbraw/zinc/38/38/80/384383880.db2.gz PEYZLCRGWALQMV-JSGCOSHPSA-N 2 0 233.359 1.820 20 0 BDADRP C[C@H]([NH2+]CCc1cncn1C)c1cccnc1 ZINC000276664668 384503637 /nfs/dbraw/zinc/50/36/37/384503637.db2.gz OGWGNBZUFKSQMO-NSHDSACASA-N 2 0 230.315 1.708 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](Cc2cnn(C)c2)C[C@@H]1C[NH3+] ZINC000397318426 384509865 /nfs/dbraw/zinc/50/98/65/384509865.db2.gz ADHFCUDVSYANCL-MDZLAQPJSA-N 2 0 236.363 1.225 20 0 BDADRP COC1(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)CCCC1 ZINC000319853982 384515312 /nfs/dbraw/zinc/51/53/12/384515312.db2.gz LGMOUGNTDUVWLS-CHWSQXEVSA-N 2 0 240.391 1.862 20 0 BDADRP C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000647229349 384517327 /nfs/dbraw/zinc/51/73/27/384517327.db2.gz CWRSFROFYYEJSC-BXUZGUMPSA-N 2 0 234.343 1.219 20 0 BDADRP C1CSC[C@H]([N@@H+]2CCC[NH2+]CC2)C1 ZINC000061590666 384520895 /nfs/dbraw/zinc/52/08/95/384520895.db2.gz QFBRIYFKMCQDJL-SNVBAGLBSA-N 2 0 200.351 1.177 20 0 BDADRP CC[N@H+](C[C@H]1CCCO1)C[C@H]1CCC[NH2+]C1 ZINC000249820562 384522630 /nfs/dbraw/zinc/52/26/30/384522630.db2.gz LEQPRSXEEDVMLO-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP CCC[C@H](C)C[N@H+](C)CCOCC[NH3+] ZINC000300769818 384544584 /nfs/dbraw/zinc/54/45/84/384544584.db2.gz AQBQPEMTSZUWEN-NSHDSACASA-N 2 0 202.342 1.330 20 0 BDADRP Cc1cc(N2CCC[C@H]([C@@H](C)[NH3+])C2)cc[nH+]1 ZINC000229518009 384549521 /nfs/dbraw/zinc/54/95/21/384549521.db2.gz KDIQFKPAYFPIIX-NEPJUHHUSA-N 2 0 219.332 1.954 20 0 BDADRP COC[C@@H]1CCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000643058135 384561719 /nfs/dbraw/zinc/56/17/19/384561719.db2.gz FVGNVJVGFQPPCC-NEPJUHHUSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(CC3CC3)C2)CO1 ZINC000647181869 384562507 /nfs/dbraw/zinc/56/25/07/384562507.db2.gz WOBJEYUUUBHIHD-RAIGVLPGSA-N 2 0 224.348 1.238 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCCO1)[C@H]1CCC[NH2+]1 ZINC000400622109 384538231 /nfs/dbraw/zinc/53/82/31/384538231.db2.gz JRLRORFDHSTJDT-QJPTWQEYSA-N 2 0 212.337 1.286 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN(C)CC(C)(C)[NH3+] ZINC000086189571 384617448 /nfs/dbraw/zinc/61/74/48/384617448.db2.gz YTYXMWQJOCNLSJ-LLVKDONJSA-N 2 0 213.369 1.140 20 0 BDADRP CN(Cc1cccc(Cl)c1F)C[C@H](O)C[NH3+] ZINC000309805377 384633607 /nfs/dbraw/zinc/63/36/07/384633607.db2.gz XLJREVVWRGQTPF-SECBINFHSA-N 2 0 246.713 1.231 20 0 BDADRP CC1(C[NH2+][C@@H]2CCCN(CCCO)C2)CC1 ZINC000518081346 384666649 /nfs/dbraw/zinc/66/66/49/384666649.db2.gz JVAMLAXERSQWDQ-GFCCVEGCSA-N 2 0 226.364 1.223 20 0 BDADRP COC[C@H](C)C[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000556938314 384667967 /nfs/dbraw/zinc/66/79/67/384667967.db2.gz WNQAYJXQZNUEDV-NEPJUHHUSA-N 2 0 228.380 1.637 20 0 BDADRP COC[C@@H](C)C[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000556938316 384668508 /nfs/dbraw/zinc/66/85/08/384668508.db2.gz WNQAYJXQZNUEDV-RYUDHWBXSA-N 2 0 228.380 1.637 20 0 BDADRP Cc1c[nH+]ccc1N(C)CC(C)(C)C[NH3+] ZINC000086638582 384668704 /nfs/dbraw/zinc/66/87/04/384668704.db2.gz OJDIBZUTAJTGPE-UHFFFAOYSA-N 2 0 207.321 1.811 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(CCO)CC1 ZINC000309826643 384647756 /nfs/dbraw/zinc/64/77/56/384647756.db2.gz XKRVXRIKZLJJHS-RYUDHWBXSA-N 2 0 226.364 1.079 20 0 BDADRP CCOC[C@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000086729522 384678757 /nfs/dbraw/zinc/67/87/57/384678757.db2.gz GFRKGTMRANEDDY-WHXUTIOJSA-N 2 0 200.326 1.271 20 0 BDADRP CC(F)(F)CC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000357718277 384683128 /nfs/dbraw/zinc/68/31/28/384683128.db2.gz VIFWQDDOXUISBQ-RKDXNWHRSA-N 2 0 206.280 1.749 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@H]1C[N@H+](C)C[C@H]1C ZINC000309929949 384729081 /nfs/dbraw/zinc/72/90/81/384729081.db2.gz XLDPRLKNKDWMGV-UPJWGTAASA-N 2 0 227.396 1.256 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](N[C@H](C[NH3+])C2CCCCC2)C1 ZINC000647546130 384730358 /nfs/dbraw/zinc/73/03/58/384730358.db2.gz AJXFWGBZDYAGCT-FPMFFAJLSA-N 2 0 239.407 1.482 20 0 BDADRP C[C@H]1C[NH2+]C[C@@H](Nc2ccc(C[NH3+])cc2)C1 ZINC000647546863 384733786 /nfs/dbraw/zinc/73/37/86/384733786.db2.gz FDILKKWLZNDMMR-MFKMUULPSA-N 2 0 219.332 1.555 20 0 BDADRP C1[NH2+]C[C@@H]2C[C@H]([NH2+][C@@H]3CCC[NH2+]CC3)CC[C@@H]12 ZINC000647547075 384736164 /nfs/dbraw/zinc/73/61/64/384736164.db2.gz MPQZVKWPMLBTQB-IGQOVBAYSA-N 3 0 237.391 1.106 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CNC[C@@H](C)C1 ZINC000647547181 384737294 /nfs/dbraw/zinc/73/72/94/384737294.db2.gz PZALJPALUJBDJS-SRVKXCTJSA-N 2 0 213.369 1.092 20 0 BDADRP C([NH2+][C@@H]1CC[C@@H]1C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000423221235 384779345 /nfs/dbraw/zinc/77/93/45/384779345.db2.gz ZLCUXBNLKABNEC-RAIGVLPGSA-N 2 0 208.349 1.764 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+]CC2(C)COC2)C1 ZINC000309971152 384748487 /nfs/dbraw/zinc/74/84/87/384748487.db2.gz PNKGSILWNIUGRN-GFCCVEGCSA-N 2 0 226.364 1.344 20 0 BDADRP C([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)C1CC[NH2+]CC1 ZINC000647548126 384751143 /nfs/dbraw/zinc/75/11/43/384751143.db2.gz WBSAWYOCKVBKEG-CYBMUJFWSA-N 3 0 237.391 1.250 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc2c(c1)ncn2C ZINC000647552259 384756481 /nfs/dbraw/zinc/75/64/81/384756481.db2.gz NUDLTIWKZDTFDM-GHMZBOCLSA-N 2 0 246.358 1.789 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647552140 384758393 /nfs/dbraw/zinc/75/83/93/384758393.db2.gz HSDGJLKUXYTGKC-KIJLLGNVSA-N 3 0 225.380 1.090 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000300409938 384768724 /nfs/dbraw/zinc/76/87/24/384768724.db2.gz CQUOTEQPPQICLN-ZIAGYGMSSA-N 2 0 241.423 1.789 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])O1 ZINC000398163896 384823615 /nfs/dbraw/zinc/82/36/15/384823615.db2.gz LTAYRMMKXPPLGP-DDHJBXDOSA-N 2 0 212.337 1.271 20 0 BDADRP COC[C@H]([NH2+]CCCC[NH+](C)C)C(C)C ZINC000087479971 384797174 /nfs/dbraw/zinc/79/71/74/384797174.db2.gz WKMVQORJSQAGDG-LBPRGKRZSA-N 2 0 216.369 1.589 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC1CC(O)C1 ZINC000084446296 384869797 /nfs/dbraw/zinc/86/97/97/384869797.db2.gz ABPQBBIGZHMTTR-LQVBTDEGSA-N 2 0 226.364 1.076 20 0 BDADRP COC(C)(C)[C@H](C)[NH2+]CCC[NH+](C)C ZINC000301029232 384840125 /nfs/dbraw/zinc/84/01/25/384840125.db2.gz UCJHUXOUJVBESK-JTQLQIEISA-N 2 0 202.342 1.341 20 0 BDADRP CC(C)CCOCC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000310120881 384844747 /nfs/dbraw/zinc/84/47/47/384844747.db2.gz DOTMKUBCLKMNJJ-UONOGXRCSA-N 2 0 240.391 1.590 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC[NH3+] ZINC000398220698 384850485 /nfs/dbraw/zinc/85/04/85/384850485.db2.gz WBSQUPZULSSWSX-ZFWWWQNUSA-N 2 0 247.386 1.445 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000423398865 384852660 /nfs/dbraw/zinc/85/26/60/384852660.db2.gz PCRXSMZIEMODMQ-FOUMNBMASA-N 2 0 208.349 1.763 20 0 BDADRP C[C@](O)(C[NH2+]C1CCN(C2CC2)CC1)C1CC1 ZINC000310163846 384867023 /nfs/dbraw/zinc/86/70/23/384867023.db2.gz RVCZVLKYHOZKOD-AWEZNQCLSA-N 2 0 238.375 1.364 20 0 BDADRP Cc1ccc(C[N@H+](C)C[C@H](O)C[NH3+])c(C)c1 ZINC000259050716 384951668 /nfs/dbraw/zinc/95/16/68/384951668.db2.gz PUPYVVVJRYMBOD-CYBMUJFWSA-N 2 0 222.332 1.055 20 0 BDADRP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)nc1 ZINC000156600449 384903391 /nfs/dbraw/zinc/90/33/91/384903391.db2.gz GQIIEKVDFWHMDD-OLZOCXBDSA-N 2 0 233.359 1.949 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCc1ccc(F)cc1F ZINC000259203274 384959028 /nfs/dbraw/zinc/95/90/28/384959028.db2.gz WYMAVHBRJMYYDW-CHWSQXEVSA-N 2 0 240.297 1.977 20 0 BDADRP C[C@@H](O)C[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000644522453 384926416 /nfs/dbraw/zinc/92/64/16/384926416.db2.gz ZPMVTKLYRGHUDA-QWHCGFSZSA-N 2 0 228.380 1.611 20 0 BDADRP C[C@@H](O)C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000644521928 384927803 /nfs/dbraw/zinc/92/78/03/384927803.db2.gz DDWMCUVGZXENSK-QWHCGFSZSA-N 2 0 228.380 1.469 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]Cc1ccc2c(c1)ncn2C ZINC000258671687 384934837 /nfs/dbraw/zinc/93/48/37/384934837.db2.gz CUFWZYIBUXKPQJ-SNVBAGLBSA-N 2 0 232.331 1.258 20 0 BDADRP COC1(CC[NH2+][C@@H]2CN(C)C[C@H]2C)CCC1 ZINC000339444116 384998299 /nfs/dbraw/zinc/99/82/99/384998299.db2.gz DBSMRGXTOAOWLZ-VXGBXAGGSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@]1(C[NH3+])CCN(Cc2ccns2)C1 ZINC000404470683 385018311 /nfs/dbraw/zinc/01/83/11/385018311.db2.gz LPWYCKUMIXZTGS-SNVBAGLBSA-N 2 0 211.334 1.314 20 0 BDADRP CN1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400989544 384961735 /nfs/dbraw/zinc/96/17/35/384961735.db2.gz XSTVEHIHMGUNOC-XJFOESAGSA-N 2 0 237.391 1.058 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)c1ccncc1 ZINC000404768031 385056573 /nfs/dbraw/zinc/05/65/73/385056573.db2.gz HVOCNDVDBXUMRI-MVWJERBFSA-N 2 0 219.332 1.858 20 0 BDADRP CN(C)C1(C[NH2+][C@@H]2CCSC2)CCCC1 ZINC000105838447 385060301 /nfs/dbraw/zinc/06/03/01/385060301.db2.gz AGMNDATYYICVQT-LLVKDONJSA-N 2 0 228.405 1.956 20 0 BDADRP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C1(C)C)c1cccnc1 ZINC000404780820 385064431 /nfs/dbraw/zinc/06/44/31/385064431.db2.gz NBFJPVDEJNGEDI-DLOVCJGASA-N 2 0 219.332 1.858 20 0 BDADRP CN(C[C@H](O)C[NH2+]C[C@@H]1C[C@H]1C1CC1)C1CC1 ZINC000644664430 385077031 /nfs/dbraw/zinc/07/70/31/385077031.db2.gz NQBUGTRRMCXBNL-YUTCNCBUSA-N 2 0 238.375 1.077 20 0 BDADRP C[C@H](O)C[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000644621042 385026770 /nfs/dbraw/zinc/02/67/70/385026770.db2.gz OBDAPDYKWACTCN-RYUDHWBXSA-N 2 0 214.353 1.221 20 0 BDADRP COCC[N@H+](C)[C@H]1CCC[NH+](CCOC)CC1 ZINC000156978896 385029609 /nfs/dbraw/zinc/02/96/09/385029609.db2.gz YGNPKMWBUXLGSF-ZDUSSCGKSA-N 2 0 244.379 1.066 20 0 BDADRP CC(C)C[C@H]([NH3+])c1noc(CC[C@@H](C)[NH3+])n1 ZINC000647132994 385046254 /nfs/dbraw/zinc/04/62/54/385046254.db2.gz HPCWEINIWJXZFM-BDAKNGLRSA-N 2 0 226.324 1.395 20 0 BDADRP C1CC12C[C@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000424181273 385109304 /nfs/dbraw/zinc/10/93/04/385109304.db2.gz BTJNLRXZRCSBOR-QJPTWQEYSA-N 2 0 206.333 1.755 20 0 BDADRP C[N@@H+]1CC[C@@H](c2nc(C3([NH3+])CCCC3)no2)C1 ZINC000647137713 385110570 /nfs/dbraw/zinc/11/05/70/385110570.db2.gz KFXHAYOIOHZFEM-SECBINFHSA-N 2 0 236.319 1.217 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000404879258 385121067 /nfs/dbraw/zinc/12/10/67/385121067.db2.gz YVXSEIUFXBWDFK-HBNTYKKESA-N 2 0 212.337 1.271 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@H]1CCCCO1 ZINC000404879259 385121765 /nfs/dbraw/zinc/12/17/65/385121765.db2.gz YVXSEIUFXBWDFK-MXWKQRLJSA-N 2 0 212.337 1.271 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000449126706 385123361 /nfs/dbraw/zinc/12/33/61/385123361.db2.gz VNJQDZHJDGRKRC-GRYCIOLGSA-N 2 0 241.379 1.008 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CC1(COC)CCC1 ZINC000310490328 385094039 /nfs/dbraw/zinc/09/40/39/385094039.db2.gz HAVNDSMLWWAORS-LBPRGKRZSA-N 2 0 244.379 1.147 20 0 BDADRP C[C@H](O)CCC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000308813279 385181726 /nfs/dbraw/zinc/18/17/26/385181726.db2.gz AIOOFLIMYWNIEI-GRYCIOLGSA-N 2 0 214.353 1.077 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000422721372 385202085 /nfs/dbraw/zinc/20/20/85/385202085.db2.gz VFMIKSSCTOOWSD-FRRDWIJNSA-N 2 0 227.396 1.304 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CC(C)(C)CCO)CC[N@@H+]1C ZINC000178161867 385195431 /nfs/dbraw/zinc/19/54/31/385195431.db2.gz DAJXDVBFFRSIQM-RYUDHWBXSA-N 2 0 228.380 1.467 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CC23CC3)[C@@H](C)C1 ZINC000424320052 385161076 /nfs/dbraw/zinc/16/10/76/385161076.db2.gz IPTCDMJSBDZZMZ-SRVKXCTJSA-N 2 0 208.349 1.859 20 0 BDADRP CC[NH+](CC)CCCN1CC[N@H+](C)C(C)(C)C1 ZINC000559757991 385164101 /nfs/dbraw/zinc/16/41/01/385164101.db2.gz ACMSOTBXGQOLMV-UHFFFAOYSA-N 2 0 241.423 1.744 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+]([C@@H]3CCCOC3)C2)C1 ZINC000644784223 385169644 /nfs/dbraw/zinc/16/96/44/385169644.db2.gz WKKJNCGJSSBYPI-OLZOCXBDSA-N 2 0 224.348 1.193 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@@H]1CCC[C@H]1[NH3+] ZINC000422721404 385201328 /nfs/dbraw/zinc/20/13/28/385201328.db2.gz VHVQBAKZFMANTR-QJPTWQEYSA-N 2 0 213.369 1.186 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@@]1(C)C[NH3+] ZINC000309187576 385201327 /nfs/dbraw/zinc/20/13/27/385201327.db2.gz HGOIYWYGXKYDFG-FRRDWIJNSA-N 2 0 226.364 1.330 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)CC[NH+](C)C ZINC000308860085 385221325 /nfs/dbraw/zinc/22/13/25/385221325.db2.gz PBPJJBWTVOEANP-RYUDHWBXSA-N 3 0 215.385 1.434 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCCCO1 ZINC000308869929 385224294 /nfs/dbraw/zinc/22/42/94/385224294.db2.gz RYNRIPLAKGFPST-VXGBXAGGSA-N 2 0 214.353 1.663 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCOC2)[C@@H](C)C1 ZINC000252716269 385226978 /nfs/dbraw/zinc/22/69/78/385226978.db2.gz YAHRIYBSWOHYLL-XQQFMLRXSA-N 2 0 226.364 1.343 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CC[C@@H]1C ZINC000336692120 385257246 /nfs/dbraw/zinc/25/72/46/385257246.db2.gz PXXMDSZYFQJHAO-DCAQKATOSA-N 2 0 200.326 1.128 20 0 BDADRP CN(C[C@@]1(C)CC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000647487257 385249558 /nfs/dbraw/zinc/24/95/58/385249558.db2.gz QVWUYOOSTXZUNW-PIGZVRMJSA-N 3 0 237.391 1.201 20 0 BDADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]CCC[NH+](C)C ZINC000130447816 385250937 /nfs/dbraw/zinc/25/09/37/385250937.db2.gz YZMDVAVBJRUPCK-LBPRGKRZSA-N 2 0 236.359 1.865 20 0 BDADRP C[C@H]([NH2+]CCC[NH3+])c1ccc2c(c1)OCO2 ZINC000037713241 385309367 /nfs/dbraw/zinc/30/93/67/385309367.db2.gz XRRNTVUKQMDRCQ-VIFPVBQESA-N 2 0 222.288 1.415 20 0 BDADRP CC[C@H](C[NH2+]C1CC[NH+](CC)CC1)OC ZINC000308960586 385313538 /nfs/dbraw/zinc/31/35/38/385313538.db2.gz GBDABMIASWPEJT-GFCCVEGCSA-N 2 0 214.353 1.485 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C[C@H]2CC[NH2+]C2)cc1 ZINC000189906957 385322863 /nfs/dbraw/zinc/32/28/63/385322863.db2.gz IYXBEAHMUNNSSR-GHMZBOCLSA-N 2 0 247.342 1.644 20 0 BDADRP Cc1cncc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000299897819 385285162 /nfs/dbraw/zinc/28/51/62/385285162.db2.gz SKSCISOSDWMJSV-VXGBXAGGSA-N 2 0 219.332 1.559 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CCN1CCCCC1 ZINC000308981486 385323222 /nfs/dbraw/zinc/32/32/22/385323222.db2.gz FAIQKNRALMEYPI-GFCCVEGCSA-N 2 0 213.369 1.189 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)CC(C)(C)[NH3+])c1 ZINC000647096251 385287344 /nfs/dbraw/zinc/28/73/44/385287344.db2.gz MAUVGOWENAMQQE-UHFFFAOYSA-N 2 0 235.331 1.520 20 0 BDADRP COC[C@@H](CC(C)C)[NH2+]CCC[NH+](C)C ZINC000308918760 385291750 /nfs/dbraw/zinc/29/17/50/385291750.db2.gz GOWIZWLOELRDHZ-GFCCVEGCSA-N 2 0 216.369 1.589 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)[C@@H]2CCCC[NH2+]2)cc1 ZINC000130992784 385299740 /nfs/dbraw/zinc/29/97/40/385299740.db2.gz AXUYVLJDKWHRLB-LBPRGKRZSA-N 2 0 233.315 1.226 20 0 BDADRP Cc1nccn1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000158055879 385331923 /nfs/dbraw/zinc/33/19/23/385331923.db2.gz VMIRXLGNDBKONX-UONOGXRCSA-N 2 0 248.374 1.408 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@H]2CCN(C)C[C@H]21)C1CC1 ZINC000425455242 385337925 /nfs/dbraw/zinc/33/79/25/385337925.db2.gz HPZBJNROEZEAKL-MRVWCRGKSA-N 2 0 238.375 1.437 20 0 BDADRP CC[C@@H](CCO)C[NH2+][C@H](C)CCCC[NH3+] ZINC000309019329 385372482 /nfs/dbraw/zinc/37/24/82/385372482.db2.gz SUGFSHNBUYWSQA-NEPJUHHUSA-N 2 0 216.369 1.502 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@H](O)CC(C)(C)C ZINC000308973051 385327044 /nfs/dbraw/zinc/32/70/44/385327044.db2.gz AZUMODOTZWGJNT-GHMZBOCLSA-N 2 0 216.369 1.501 20 0 BDADRP C[N@H+](CCC[NH3+])Cc1cccc2c[nH]nc21 ZINC000647497214 385406356 /nfs/dbraw/zinc/40/63/56/385406356.db2.gz AAFVMJDNKKQIPO-UHFFFAOYSA-N 2 0 218.304 1.344 20 0 BDADRP CC[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000647499033 385423535 /nfs/dbraw/zinc/42/35/35/385423535.db2.gz XGVWUMHWDYMMJF-UPJWGTAASA-N 2 0 225.380 1.045 20 0 BDADRP C[N@H+](C[C@]1(C)CC[NH2+]C1)[C@@H]1CCSC1 ZINC000062911150 385439995 /nfs/dbraw/zinc/43/99/95/385439995.db2.gz RSARKQKEBHRUND-GHMZBOCLSA-N 2 0 214.378 1.423 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]Cc2ccn(C)c2)CC[N@@H+]1C ZINC000156609527 385461267 /nfs/dbraw/zinc/46/12/67/385461267.db2.gz GFNDAEOGPGMGDF-DGCLKSJQSA-N 2 0 221.348 1.597 20 0 BDADRP C[C@H](C[NH2+]C[C@H]1CCCOC1)C[NH+]1CCCC1 ZINC000111320516 385501068 /nfs/dbraw/zinc/50/10/68/385501068.db2.gz UIINNTMWFSNSFA-ZIAGYGMSSA-N 2 0 240.391 1.735 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@@](C)(CC)OC)C1 ZINC000319097772 385542540 /nfs/dbraw/zinc/54/25/40/385542540.db2.gz WAQQDGXQDHINTG-CHWSQXEVSA-N 2 0 228.380 1.733 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCC[NH+]1CCCC1 ZINC000309352160 385544304 /nfs/dbraw/zinc/54/43/04/385544304.db2.gz MRVAEKUYHPHECI-CYBMUJFWSA-N 3 0 227.396 1.579 20 0 BDADRP Cc1cc(N2CC[C@@H]3CC[NH2+][C@H]3C2)cc[nH+]1 ZINC000643031068 385527405 /nfs/dbraw/zinc/52/74/05/385527405.db2.gz GLQCBGKBNORSIB-AAEUAGOBSA-N 2 0 217.316 1.578 20 0 BDADRP COC1(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)CCCC1 ZINC000319171260 385553549 /nfs/dbraw/zinc/55/35/49/385553549.db2.gz LVVZTFISURXVSW-QWHCGFSZSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CCC[NH+]1CCCCC1 ZINC000309396115 385560918 /nfs/dbraw/zinc/56/09/18/385560918.db2.gz IKYXNSQVGIWZHX-CYBMUJFWSA-N 3 0 227.396 1.579 20 0 BDADRP CN(C[C@H](O)C[N@H+](C)CCC1CC1)C1CC1 ZINC000309465117 385595633 /nfs/dbraw/zinc/59/56/33/385595633.db2.gz SNRGICZWQKWIBL-CYBMUJFWSA-N 2 0 226.364 1.173 20 0 BDADRP CCOCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000309429042 385579590 /nfs/dbraw/zinc/57/95/90/385579590.db2.gz FUFOIDBUOJGZKR-YNEHKIRRSA-N 2 0 226.364 1.485 20 0 BDADRP CCSCCC[NH2+][C@H](C)CCC[NH3+] ZINC000308140734 385625427 /nfs/dbraw/zinc/62/54/27/385625427.db2.gz SQGDIQQEOAZWSL-SNVBAGLBSA-N 2 0 204.383 1.847 20 0 BDADRP CC1(C)CC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000336652739 385661095 /nfs/dbraw/zinc/66/10/95/385661095.db2.gz IWXWJWVFDDOJQV-NWDGAFQWSA-N 2 0 226.364 1.221 20 0 BDADRP CC[NH2+]CCN[C@@H](C)Cc1ccc(F)cc1 ZINC000414852237 385679836 /nfs/dbraw/zinc/67/98/36/385679836.db2.gz VUGOTMHIEZWMSD-NSHDSACASA-N 2 0 224.323 1.956 20 0 BDADRP C[C@H](CCO)[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000309567740 385703061 /nfs/dbraw/zinc/70/30/61/385703061.db2.gz MRXMHTPKIKEBKT-YVECIDJPSA-N 2 0 226.364 1.220 20 0 BDADRP C[C@H](CCO)[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000309567734 385703377 /nfs/dbraw/zinc/70/33/77/385703377.db2.gz MRXMHTPKIKEBKT-FDYHWXHSSA-N 2 0 226.364 1.220 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCSC1 ZINC000308185190 385706206 /nfs/dbraw/zinc/70/62/06/385706206.db2.gz FLAVOTASYVGQDS-NXEZZACHSA-N 2 0 202.367 1.599 20 0 BDADRP CCCn1cc(CN[C@@H](C[NH3+])CC(C)C)cn1 ZINC000414856439 385712617 /nfs/dbraw/zinc/71/26/17/385712617.db2.gz ZCTQFRCRTLTVPO-CYBMUJFWSA-N 2 0 238.379 1.756 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@H]1CN(C)C[C@H]1C ZINC000336735815 385715974 /nfs/dbraw/zinc/71/59/74/385715974.db2.gz ONIVPWQLTZZLMI-WOPDTQHZSA-N 2 0 214.353 1.077 20 0 BDADRP COC[C@@H](CC(C)C)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414859691 385736025 /nfs/dbraw/zinc/73/60/25/385736025.db2.gz UTJPCQFQCPCAQN-CHWSQXEVSA-N 2 0 228.380 1.637 20 0 BDADRP CC[N@@H+]1CC[C@H](NC[C@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000414859680 385736466 /nfs/dbraw/zinc/73/64/66/385736466.db2.gz URUPQHDWLJUKDD-RDBSUJKOSA-N 2 0 239.407 1.306 20 0 BDADRP OC1CC(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647794840 385740580 /nfs/dbraw/zinc/74/05/80/385740580.db2.gz DKUGTGANBWPRTB-XLICRZQSSA-N 2 0 238.375 1.125 20 0 BDADRP c1cn(CC[N@@H+]2CCO[C@@H]3CCC[C@H]32)cn1 ZINC000270844503 385750553 /nfs/dbraw/zinc/75/05/53/385750553.db2.gz OGSPDEFYIWYDPO-VXGBXAGGSA-N 2 0 221.304 1.136 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCCSC1 ZINC000336698452 385753848 /nfs/dbraw/zinc/75/38/48/385753848.db2.gz VLXVMOPUVRSMNC-QWRGUYRKSA-N 2 0 216.394 1.989 20 0 BDADRP CO[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000309665074 385777103 /nfs/dbraw/zinc/77/71/03/385777103.db2.gz SXJQCWPLRJPNCF-XQHKEYJVSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@@H](C[NH3+])N[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000414944801 385785194 /nfs/dbraw/zinc/78/51/94/385785194.db2.gz OUNVJDGSQYMXES-SDDRHHMPSA-N 2 0 213.369 1.234 20 0 BDADRP COC[C@]1(C[NH2+][C@H]2CCC[C@@H]2C)CCC[NH2+]1 ZINC000414945312 385799597 /nfs/dbraw/zinc/79/95/97/385799597.db2.gz PZQOJFXGGLCZMY-RWMBFGLXSA-N 2 0 226.364 1.533 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](C)CC(F)F ZINC000647800827 385809582 /nfs/dbraw/zinc/80/95/82/385809582.db2.gz LFPJOTNNNVFPHG-NXEZZACHSA-N 2 0 238.322 1.621 20 0 BDADRP CC[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1nccn1C ZINC000271876887 385856987 /nfs/dbraw/zinc/85/69/87/385856987.db2.gz OJJIYHCFWQWEPY-CYBMUJFWSA-N 2 0 248.374 1.723 20 0 BDADRP C[C@@H](NC(=O)CC[C@@H]1CCCC[N@@H+]1C)[C@H](C)[NH3+] ZINC000521434459 385829534 /nfs/dbraw/zinc/82/95/34/385829534.db2.gz ZKPLHHSKPCHWGM-TUAOUCFPSA-N 2 0 241.379 1.103 20 0 BDADRP C[C@@H]1CCCC[C@H]1C[NH2+]CCN1CC[NH2+]CC1 ZINC000414869558 385837039 /nfs/dbraw/zinc/83/70/39/385837039.db2.gz RFIDAYKAWVXBPA-KGLIPLIRSA-N 2 0 239.407 1.308 20 0 BDADRP C[C@@H]1SCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000647804409 385840543 /nfs/dbraw/zinc/84/05/43/385840543.db2.gz PYFLYCFFYYAVSE-GDGRRUBZSA-N 2 0 226.389 1.753 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]Cc1ccnn1-c1ccccc1 ZINC000414869794 385842787 /nfs/dbraw/zinc/84/27/87/385842787.db2.gz BGRFQAUNUWCGQY-GFCCVEGCSA-N 2 0 244.342 1.557 20 0 BDADRP CC(C)[C@@H](O)C[N@H+](C)CCCn1ccnc1 ZINC000283960238 385843388 /nfs/dbraw/zinc/84/33/88/385843388.db2.gz LMSHRAAUMSUHJD-LBPRGKRZSA-N 2 0 225.336 1.222 20 0 BDADRP Cn1cc(CC[N@H+](C)CCCn2ccnc2)cn1 ZINC000271676016 385846028 /nfs/dbraw/zinc/84/60/28/385846028.db2.gz JAULPTDRNGIBLN-UHFFFAOYSA-N 2 0 247.346 1.181 20 0 BDADRP COCC[C@@H](C)[NH+]1CCC(CC[NH3+])CC1 ZINC000069729562 385854654 /nfs/dbraw/zinc/85/46/54/385854654.db2.gz YLJHWWVDXSYVJF-LLVKDONJSA-N 2 0 214.353 1.472 20 0 BDADRP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCCO1 ZINC000647798131 385791505 /nfs/dbraw/zinc/79/15/05/385791505.db2.gz MEHBKEOJUAULSB-YVECIDJPSA-N 2 0 224.348 1.143 20 0 BDADRP CO[C@H](C)CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000336656788 385794134 /nfs/dbraw/zinc/79/41/34/385794134.db2.gz MCIMHNARHSTRLR-RQJABVFESA-N 2 0 240.391 1.922 20 0 BDADRP CCc1ncc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000647798672 385797583 /nfs/dbraw/zinc/79/75/83/385797583.db2.gz VJKWEEPBWDVEDJ-QJPTWQEYSA-N 2 0 249.358 1.715 20 0 BDADRP CC[C@@H](C)C[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000093074674 385884988 /nfs/dbraw/zinc/88/49/88/385884988.db2.gz UYRBTOFOCIMJJT-OLZOCXBDSA-N 2 0 227.396 1.258 20 0 BDADRP C[C@H](CC[NH3+])[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000414874906 385890576 /nfs/dbraw/zinc/89/05/76/385890576.db2.gz BHMWVIKNLSEUAW-SNVBAGLBSA-N 2 0 224.352 1.465 20 0 BDADRP CC[C@@H]1C[C@@H](C[NH2+]CC2([NH3+])CCC2)CCO1 ZINC000414876170 385905641 /nfs/dbraw/zinc/90/56/41/385905641.db2.gz KWELMALXZXHYBZ-NWDGAFQWSA-N 2 0 226.364 1.663 20 0 BDADRP COCC[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000122354188 385913704 /nfs/dbraw/zinc/91/37/04/385913704.db2.gz GCYQIDRSUDGKFT-DCAQKATOSA-N 2 0 200.326 1.081 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(C)CCOCC1 ZINC000335039009 385930269 /nfs/dbraw/zinc/93/02/69/385930269.db2.gz KCHMVBHZAPESJR-QWHCGFSZSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccccc1N(C)C ZINC000414959599 385875617 /nfs/dbraw/zinc/87/56/17/385875617.db2.gz PXSIYMGZBPSQAC-TZMCWYRMSA-N 2 0 247.386 1.840 20 0 BDADRP CN(CCCC1CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC000647838019 385882017 /nfs/dbraw/zinc/88/20/17/385882017.db2.gz GHKLQFOIOQKCJK-CYBMUJFWSA-N 2 0 225.380 1.060 20 0 BDADRP C(C[NH2+]C[C@H]1CCC[NH2+]C1)C[C@@H]1CCC[NH2+]1 ZINC000414960940 385882033 /nfs/dbraw/zinc/88/20/33/385882033.db2.gz AVRJXJJVJSLUDN-QWHCGFSZSA-N 3 0 225.380 1.108 20 0 BDADRP CC[NH+]1CCC(N[C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000335018390 385978021 /nfs/dbraw/zinc/97/80/21/385978021.db2.gz HHVDHACFOSYRIH-KBPBESRZSA-N 3 0 239.407 1.720 20 0 BDADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000295190279 385989170 /nfs/dbraw/zinc/98/91/70/385989170.db2.gz NYFRDJZARYBBCB-RTXFEEFZSA-N 2 0 249.358 1.176 20 0 BDADRP C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000251149564 385935601 /nfs/dbraw/zinc/93/56/01/385935601.db2.gz XYAFZZISIRAAQK-WUHRBBMRSA-N 2 0 226.364 1.268 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000338280147 385946500 /nfs/dbraw/zinc/94/65/00/385946500.db2.gz KFQFHISQMBZVAL-VXGBXAGGSA-N 2 0 214.353 1.031 20 0 BDADRP C([NH2+][C@@H]1CCCC12CCC2)[C@H]1CNCCO1 ZINC000335053912 385953362 /nfs/dbraw/zinc/95/33/62/385953362.db2.gz YLWYPRLYRPDKMF-VXGBXAGGSA-N 2 0 224.348 1.287 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](CO)C2)C1 ZINC000304644950 385953952 /nfs/dbraw/zinc/95/39/52/385953952.db2.gz SVIIFRUMPSWDNO-NDBYEHHHSA-N 2 0 226.364 1.397 20 0 BDADRP COCC[C@H](C)[NH2+][C@@H]1CCCN(C)[C@@H]1C ZINC000336768456 385958267 /nfs/dbraw/zinc/95/82/67/385958267.db2.gz UFXCBJVVHBMGNU-QJPTWQEYSA-N 2 0 214.353 1.484 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCC[C@H]1O ZINC000414154720 386003467 /nfs/dbraw/zinc/00/34/67/386003467.db2.gz UCGPPOQGUKPOSP-SYLRKERUSA-N 2 0 226.364 1.218 20 0 BDADRP CC[N@H+](CC1CC[NH2+]CC1)[C@@H]1CCC[NH2+]CC1 ZINC000345188406 386055804 /nfs/dbraw/zinc/05/58/04/386055804.db2.gz KMNRBZUBHITANS-CQSZACIVSA-N 2 0 239.407 1.450 20 0 BDADRP C[C@@H](C[NH2+][C@@H]1CC[NH2+]C1)CC1CCOCC1 ZINC000414882392 386011598 /nfs/dbraw/zinc/01/15/98/386011598.db2.gz MHZCKWUBPSYYSR-DGCLKSJQSA-N 2 0 226.364 1.391 20 0 BDADRP COCC(C)(C)C[NH2+]CC1([NH3+])CCC1 ZINC000414882374 386012467 /nfs/dbraw/zinc/01/24/67/386012467.db2.gz UDXSOSXCIXRBNK-UHFFFAOYSA-N 2 0 200.326 1.130 20 0 BDADRP C[C@H]([NH2+]CCCC[NH+](C)C)C1CCOCC1 ZINC000336752657 386019286 /nfs/dbraw/zinc/01/92/86/386019286.db2.gz VYAKQEMAMXXWAW-LBPRGKRZSA-N 2 0 228.380 1.733 20 0 BDADRP CC(C)[C@](C)(CN)[NH2+]CCCC1CC[NH2+]CC1 ZINC000647869519 386020368 /nfs/dbraw/zinc/02/03/68/386020368.db2.gz LFOWPBPRQNZNLZ-AWEZNQCLSA-N 2 0 241.423 1.729 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000345160840 386021959 /nfs/dbraw/zinc/02/19/59/386021959.db2.gz QDUPLACHYUQKOW-MJBXVCDLSA-N 2 0 242.407 1.857 20 0 BDADRP CC1(C)[C@@H](O)C[C@@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000335061662 386027500 /nfs/dbraw/zinc/02/75/00/386027500.db2.gz BXWKYIBYXWVPLQ-QQFIATSDSA-N 2 0 226.364 1.253 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)CCOC)[C@H](C)C1 ZINC000414192880 386032681 /nfs/dbraw/zinc/03/26/81/386032681.db2.gz HVIXDMZCTMQPJR-MJBXVCDLSA-N 2 0 242.407 1.979 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000414201741 386037281 /nfs/dbraw/zinc/03/72/81/386037281.db2.gz YLNHWPIRVSFHAH-XQQFMLRXSA-N 2 0 228.380 1.731 20 0 BDADRP CCn1nccc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414980864 386057741 /nfs/dbraw/zinc/05/77/41/386057741.db2.gz WZJLZDAWNAOCKU-LBPRGKRZSA-N 2 0 236.363 1.525 20 0 BDADRP Cc1nc(C[NH2+]CC[C@H]2CCC[NH2+]C2)cs1 ZINC000054309203 386117180 /nfs/dbraw/zinc/11/71/80/386117180.db2.gz SPXIELFEQODXTP-LLVKDONJSA-N 2 0 239.388 1.931 20 0 BDADRP CCCN(CC[NH2+]C(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000414668280 386117939 /nfs/dbraw/zinc/11/79/39/386117939.db2.gz IMTZHFVUMKCJBX-GFCCVEGCSA-N 2 0 227.396 1.448 20 0 BDADRP C[C@H](C[NH3+])C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000054338821 386121422 /nfs/dbraw/zinc/12/14/22/386121422.db2.gz VGXNGVOWUSBNRV-SNVBAGLBSA-N 2 0 235.331 1.282 20 0 BDADRP COCC[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000414205998 386058981 /nfs/dbraw/zinc/05/89/81/386058981.db2.gz PPLOAJOSKVVVMT-RWMBFGLXSA-N 2 0 228.380 1.589 20 0 BDADRP CO[C@@H](C)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365404142 386076757 /nfs/dbraw/zinc/07/67/57/386076757.db2.gz OUJYRWYDGFKLSK-RYUDHWBXSA-N 2 0 214.353 1.437 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[NH2+][C@@H](C)[C@H]1C ZINC000414654990 386079057 /nfs/dbraw/zinc/07/90/57/386079057.db2.gz CRDXJQGPQADOOE-TUAOUCFPSA-N 2 0 213.369 1.042 20 0 BDADRP CC(C)(C)[NH+]1CCC(NC[C@H]([NH3+])C2CC2)CC1 ZINC000414887825 386093582 /nfs/dbraw/zinc/09/35/82/386093582.db2.gz IZWPAIWIBLJPTP-ZDUSSCGKSA-N 2 0 239.407 1.576 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCSC1 ZINC000308185192 386097236 /nfs/dbraw/zinc/09/72/36/386097236.db2.gz FLAVOTASYVGQDS-VHSXEESVSA-N 2 0 202.367 1.599 20 0 BDADRP [NH3+][C@H](CNCc1ccc(F)cc1)C1CC1 ZINC000414888035 386097764 /nfs/dbraw/zinc/09/77/64/386097764.db2.gz DUHAIGAYVJLZEH-GFCCVEGCSA-N 2 0 208.280 1.653 20 0 BDADRP CO[C@@H](C[N@@H+]1CCC[C@H]([NH+](C)C)CC1)C1CC1 ZINC000425482433 386152080 /nfs/dbraw/zinc/15/20/80/386152080.db2.gz QSJVNYVQWBFNBO-KBPBESRZSA-N 2 0 240.391 1.828 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414991960 386152289 /nfs/dbraw/zinc/15/22/89/386152289.db2.gz BIGLPLKCRJFXST-UPJWGTAASA-N 3 0 227.396 1.467 20 0 BDADRP C[C@@H]1C[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C[C@H](C)N1 ZINC000414675708 386155160 /nfs/dbraw/zinc/15/51/60/386155160.db2.gz RGYUSMPTSWLZNS-NDBYEHHHSA-N 2 0 225.380 1.057 20 0 BDADRP C[C@@H]([NH3+])C1CCN(C(=O)CCC(C)(C)[NH3+])CC1 ZINC000647756558 386186931 /nfs/dbraw/zinc/18/69/31/386186931.db2.gz SXLYEAMYSFWAMJ-SNVBAGLBSA-N 2 0 241.379 1.090 20 0 BDADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@@]1(C)CCCO1 ZINC000340530987 386141772 /nfs/dbraw/zinc/14/17/72/386141772.db2.gz INNJTWRUIOLIJQ-TZMCWYRMSA-N 2 0 238.375 1.796 20 0 BDADRP C[NH2+]C[C@H]1CCN(Cc2sccc2OC)C1 ZINC000347062663 386209813 /nfs/dbraw/zinc/20/98/13/386209813.db2.gz IJJWGGDHBVAPGB-SNVBAGLBSA-N 2 0 240.372 1.798 20 0 BDADRP Cc1cc([C@@H]2CCCN2CCC[NH3+])on1 ZINC000414703020 386210423 /nfs/dbraw/zinc/21/04/23/386210423.db2.gz LFSYCUNCFOMVCL-JTQLQIEISA-N 2 0 209.293 1.469 20 0 BDADRP COc1ccccc1/C=C/CN(C)[C@H](C)C[NH3+] ZINC000347141508 386259681 /nfs/dbraw/zinc/25/96/81/386259681.db2.gz WQFXPVGJGDXOJZ-WAFBPQNNSA-N 2 0 234.343 1.987 20 0 BDADRP [NH3+]CCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000414704155 386212291 /nfs/dbraw/zinc/21/22/91/386212291.db2.gz JKJIFXOMVPDFIQ-TZMCWYRMSA-N 2 0 237.391 1.284 20 0 BDADRP Cc1ncccc1C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414999298 386213522 /nfs/dbraw/zinc/21/35/22/386213522.db2.gz RPCNGNDCXTULNS-TZMCWYRMSA-N 2 0 233.359 1.997 20 0 BDADRP CC[C@H]1C[N@H+](CCC[NH3+])[C@@H](CC)CN1C(C)=O ZINC000414707401 386216190 /nfs/dbraw/zinc/21/61/90/386216190.db2.gz NVNFPOUJYWWHCI-STQMWFEESA-N 2 0 241.379 1.057 20 0 BDADRP CCN(CC[NH2+]C(C)(C)C)[C@H]1CCC[NH2+]CC1 ZINC000414712507 386229168 /nfs/dbraw/zinc/22/91/68/386229168.db2.gz JCAQZDIFEAYLMK-ZDUSSCGKSA-N 2 0 241.423 1.839 20 0 BDADRP C[C@H]1C[C@@H](C[NH2+]CC[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000414898462 386230015 /nfs/dbraw/zinc/23/00/15/386230015.db2.gz AKRQYVVYJOMHGB-RWMBFGLXSA-N 3 0 225.380 1.106 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](Cc2cccc3c[nH]nc32)C1 ZINC000347115829 386231435 /nfs/dbraw/zinc/23/14/35/386231435.db2.gz VOAQMEYXCDVIPK-NSHDSACASA-N 2 0 244.342 1.604 20 0 BDADRP Cc1cccc2ncc(C[NH2+]CCCC[NH3+])n21 ZINC000414899809 386247596 /nfs/dbraw/zinc/24/75/96/386247596.db2.gz GBRNWCDOMWHOCK-UHFFFAOYSA-N 2 0 232.331 1.471 20 0 BDADRP COc1ccccc1/C=C/C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000347094421 386247538 /nfs/dbraw/zinc/24/75/38/386247538.db2.gz HHYYMVHFVUWPEK-BPJJOFIESA-N 2 0 246.354 1.989 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+]2[C@H](C)CNC[C@@H]2C)CC[NH2+]1 ZINC000414719358 386252097 /nfs/dbraw/zinc/25/20/97/386252097.db2.gz XZMUIILOPTULSV-FVCCEPFGSA-N 2 0 225.380 1.057 20 0 BDADRP C[C@H](O)C[N@H+](C[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000647884070 386253111 /nfs/dbraw/zinc/25/31/11/386253111.db2.gz CUZABZIFKNEQHA-QWHCGFSZSA-N 2 0 240.391 1.611 20 0 BDADRP COc1cc(C)c(C[N@@H+]2CC[C@@H](C[NH3+])C2)c(C)n1 ZINC000347190940 386254555 /nfs/dbraw/zinc/25/45/55/386254555.db2.gz FOZZZFAGUXRYDR-LBPRGKRZSA-N 2 0 249.358 1.488 20 0 BDADRP CC[N@H+](CCC(=O)OC)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414695464 386192899 /nfs/dbraw/zinc/19/28/99/386192899.db2.gz UUQPYIUSICERFR-VXGBXAGGSA-N 2 0 242.363 1.260 20 0 BDADRP CC(C)(C)C[N@H+](CCC[NH3+])CCCO ZINC000414694680 386194530 /nfs/dbraw/zinc/19/45/30/386194530.db2.gz NKYGCDKDKCJRLM-UHFFFAOYSA-N 2 0 202.342 1.066 20 0 BDADRP CN(CC[NH2+]C(C)(C)C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000414697759 386198279 /nfs/dbraw/zinc/19/82/79/386198279.db2.gz QGVFMAHBGAGZNO-ZDUSSCGKSA-N 2 0 239.407 1.543 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+](C)[C@@H](CO)C(C)(C)C)CC[NH2+]1 ZINC000414698591 386199377 /nfs/dbraw/zinc/19/93/77/386199377.db2.gz DFNABZFIMCPKBT-UPJWGTAASA-N 2 0 242.407 1.713 20 0 BDADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(C)(C)O)C1 ZINC000347297079 386299466 /nfs/dbraw/zinc/29/94/66/386299466.db2.gz GFFBBUPYGARZTA-CYBMUJFWSA-N 2 0 242.407 1.811 20 0 BDADRP C[C@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)[C@@H]1CO ZINC000414733919 386299930 /nfs/dbraw/zinc/29/99/30/386299930.db2.gz FEKCKFKGCZFGKV-UMSGYPCISA-N 2 0 226.364 1.077 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000236791430 386311821 /nfs/dbraw/zinc/31/18/21/386311821.db2.gz ARBSFIKSJQCRHZ-NSHDSACASA-N 2 0 243.395 1.206 20 0 BDADRP [NH3+]CCC[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000414740825 386321406 /nfs/dbraw/zinc/32/14/06/386321406.db2.gz KFHQCNVYPNCBDK-LBPRGKRZSA-N 2 0 212.337 1.084 20 0 BDADRP Cc1occc1CN(C)CCC[NH+](C)C ZINC000265243525 386321977 /nfs/dbraw/zinc/32/19/77/386321977.db2.gz LWMGZJPXSUZYAA-UHFFFAOYSA-N 2 0 210.321 1.972 20 0 BDADRP CC[N@H+](CCNc1cc(C)nc(C)n1)C1CC1 ZINC000080977209 386268419 /nfs/dbraw/zinc/26/84/19/386268419.db2.gz SRJXANJDEUGLSW-UHFFFAOYSA-N 2 0 234.347 1.990 20 0 BDADRP C[C@@H]1CN(CCCC2CC[NH2+]CC2)[C@H](C)C[NH2+]1 ZINC000647987569 386274902 /nfs/dbraw/zinc/27/49/02/386274902.db2.gz DMZVFFKTKQWHJH-CHWSQXEVSA-N 2 0 239.407 1.448 20 0 BDADRP C([C@@H]1CC[NH2+]C1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000647987601 386275051 /nfs/dbraw/zinc/27/50/51/386275051.db2.gz HWYSKDODFWVIEH-MCIONIFRSA-N 2 0 237.391 1.060 20 0 BDADRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC000336682207 386340151 /nfs/dbraw/zinc/34/01/51/386340151.db2.gz CZXNOYAFBGSPQK-ZIAGYGMSSA-N 2 0 240.391 1.687 20 0 BDADRP CC[C@H]1C[C@H](C[NH2+]CC[C@H]2CCC[NH2+]2)CCO1 ZINC000414904079 386348975 /nfs/dbraw/zinc/34/89/75/386348975.db2.gz LADDIWKUNDOHBY-MCIONIFRSA-N 2 0 240.391 1.923 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@@H]2CCCC[NH2+]C2)CC1 ZINC000335267499 386348903 /nfs/dbraw/zinc/34/89/03/386348903.db2.gz IMIZGINQKBORCD-WXRRBKDZSA-N 3 0 225.380 1.236 20 0 BDADRP COC[C@@H](CC(C)C)[NH2+]CCCC[NH+](C)C ZINC000336775339 386386490 /nfs/dbraw/zinc/38/64/90/386386490.db2.gz YTKATVSZCFHOAS-CYBMUJFWSA-N 2 0 230.396 1.979 20 0 BDADRP C[C@H]1C[C@@H](C[NH2+][C@H](CO)C(C)(C)C)CC[NH2+]1 ZINC000414747156 386351411 /nfs/dbraw/zinc/35/14/11/386351411.db2.gz SYZSMQSSAWJPFO-SDDRHHMPSA-N 2 0 228.380 1.371 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000415007656 386354836 /nfs/dbraw/zinc/35/48/36/386354836.db2.gz BOQDXLONBPLHMA-AGIUHOORSA-N 3 0 227.396 1.624 20 0 BDADRP C([C@H]1CC[NH2+]C1)[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000647989578 386359917 /nfs/dbraw/zinc/35/99/17/386359917.db2.gz HMBRRMVLZRIEAK-GXTWGEPZSA-N 2 0 238.375 1.344 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCOC2)C1 ZINC000336696840 386376748 /nfs/dbraw/zinc/37/67/48/386376748.db2.gz HHAZULWDUPGPNW-QWHCGFSZSA-N 2 0 226.364 1.297 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H]2CCOC2)C1 ZINC000336696838 386378869 /nfs/dbraw/zinc/37/88/69/386378869.db2.gz HHAZULWDUPGPNW-CHWSQXEVSA-N 2 0 226.364 1.297 20 0 BDADRP CC[C@@H]1CN(C[C@H]([NH3+])CC(C)C)C[C@@H]1O ZINC000414752402 386380587 /nfs/dbraw/zinc/38/05/87/386380587.db2.gz BVJYPYZBPDSHMK-UTUOFQBUSA-N 2 0 214.353 1.063 20 0 BDADRP Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H](C)CC[NH3+])o1 ZINC000414902827 386326112 /nfs/dbraw/zinc/32/61/12/386326112.db2.gz YOXKJPTVIUIZAX-VIFPVBQESA-N 2 0 248.330 1.805 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@H](O)C(C)(C)C2)CC[NH2+]1 ZINC000414740425 386332523 /nfs/dbraw/zinc/33/25/23/386332523.db2.gz LHYIQOWMIBCEKY-AGIUHOORSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@@H]1CC2(C[N@@H+]1Cc1cnn(C)c1)CC[NH2+]CC2 ZINC000335275374 386335078 /nfs/dbraw/zinc/33/50/78/386335078.db2.gz AFYGBWISWMSCPT-GFCCVEGCSA-N 2 0 248.374 1.384 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CC[NH2+]C1)[C@@H]1CCCOC1 ZINC000647992188 386439753 /nfs/dbraw/zinc/43/97/53/386439753.db2.gz PANSEICPCUHBEN-SDDRHHMPSA-N 2 0 212.337 1.001 20 0 BDADRP COc1cccc(C[C@H](C)[NH2+]CCCC[NH3+])n1 ZINC000414907672 386390740 /nfs/dbraw/zinc/39/07/40/386390740.db2.gz PUPSDYALDNDCAU-NSHDSACASA-N 2 0 237.347 1.350 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000414754624 386397919 /nfs/dbraw/zinc/39/79/19/386397919.db2.gz GILNVYLFAJETRO-UPJWGTAASA-N 2 0 227.396 1.384 20 0 BDADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](O)C(C)C)C1 ZINC000336700652 386400273 /nfs/dbraw/zinc/40/02/73/386400273.db2.gz KNJOMLOCDKGBTK-UONOGXRCSA-N 2 0 242.407 1.667 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](OC)C(C)C)[C@H](C)C1 ZINC000347436851 386400846 /nfs/dbraw/zinc/40/08/46/386400846.db2.gz XDBAKSAUJIYMER-HZSPNIEDSA-N 2 0 242.407 1.977 20 0 BDADRP [NH3+]CCN(CCO)C[C@@H]1C[C@H]1c1ccccc1 ZINC000414909093 386403223 /nfs/dbraw/zinc/40/32/23/386403223.db2.gz FUZRMJMOIAXYHQ-KBPBESRZSA-N 2 0 234.343 1.043 20 0 BDADRP Cc1c(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)cnn1C ZINC000415009068 386405597 /nfs/dbraw/zinc/40/55/97/386405597.db2.gz TVPOQUCPFDBPOE-AAEUAGOBSA-N 2 0 236.363 1.336 20 0 BDADRP COC[C@H]1CCCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647991145 386409359 /nfs/dbraw/zinc/40/93/59/386409359.db2.gz CFVMPPRQQIUDNI-STQMWFEESA-N 2 0 226.364 1.344 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414909357 386416231 /nfs/dbraw/zinc/41/62/31/386416231.db2.gz RPVYISCJKQVYBP-CHWSQXEVSA-N 3 0 239.407 1.496 20 0 BDADRP c1ncc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)s1 ZINC000415009460 386425817 /nfs/dbraw/zinc/42/58/17/386425817.db2.gz OCQZDALJVCUCLL-NWDGAFQWSA-N 2 0 237.372 1.621 20 0 BDADRP CC(C)(C)c1n[nH]cc1C[NH2+]CCCC[NH3+] ZINC000414910203 386431827 /nfs/dbraw/zinc/43/18/27/386431827.db2.gz RXOOJPZWNYWMNH-UHFFFAOYSA-N 2 0 224.352 1.536 20 0 BDADRP Cc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)nn1C ZINC000414765349 386434015 /nfs/dbraw/zinc/43/40/15/386434015.db2.gz FQLIHSMDIFSSPG-BETUJISGSA-N 2 0 248.374 1.160 20 0 BDADRP C[C@H](CCCO)[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353528144 386469454 /nfs/dbraw/zinc/46/94/54/386469454.db2.gz NKWPJCSRBQYUNP-RQJABVFESA-N 2 0 240.391 1.610 20 0 BDADRP C[C@H](O)CCC[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000336732021 386471389 /nfs/dbraw/zinc/47/13/89/386471389.db2.gz ZDMXVORNCFCIOG-NSHDSACASA-N 2 0 237.347 1.750 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccccn2)CC1 ZINC000227330872 386476841 /nfs/dbraw/zinc/47/68/41/386476841.db2.gz XLXTYUGPMFDPEE-UHFFFAOYSA-N 2 0 233.359 1.903 20 0 BDADRP [NH3+]CCCC[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000414913048 386479866 /nfs/dbraw/zinc/47/98/66/386479866.db2.gz VQKMSZIAEUOSIN-UHFFFAOYSA-N 2 0 244.342 1.905 20 0 BDADRP CN(CC[NH2+]C(C)(C)C)C1(C[NH3+])CCC1 ZINC000414777432 386485739 /nfs/dbraw/zinc/48/57/39/386485739.db2.gz FMDHUOMTPRBOGW-UHFFFAOYSA-N 2 0 213.369 1.188 20 0 BDADRP CCCn1cc(C[NH2+][C@@H](C)CCCC[NH3+])cn1 ZINC000415011334 386489631 /nfs/dbraw/zinc/48/96/31/386489631.db2.gz HNCAZUCHTLFDBA-LBPRGKRZSA-N 2 0 238.379 1.900 20 0 BDADRP CC[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000647935087 386490039 /nfs/dbraw/zinc/49/00/39/386490039.db2.gz ZAOBPOACPXQZKR-UPJWGTAASA-N 2 0 225.380 1.045 20 0 BDADRP C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414780750 386496819 /nfs/dbraw/zinc/49/68/19/386496819.db2.gz LXEYZDBBQKNPKK-ZOBORPQBSA-N 2 0 222.376 1.964 20 0 BDADRP C[C@@H]1C[C@H]1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415015747 386499807 /nfs/dbraw/zinc/49/98/07/386499807.db2.gz ZFBIQBHIISJZMI-LPTSXCQYSA-N 2 0 208.349 1.620 20 0 BDADRP COC[C@@H](CC(C)C)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415043955 386529689 /nfs/dbraw/zinc/52/96/89/386529689.db2.gz RSPJLMQDPIJEGR-CHWSQXEVSA-N 2 0 244.379 1.016 20 0 BDADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@H]1CC12CC2 ZINC000417332166 386500853 /nfs/dbraw/zinc/50/08/53/386500853.db2.gz CSTZRDZVVIHFLT-NQBHXWOUSA-N 2 0 220.360 1.859 20 0 BDADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@@H]1CC12CC2 ZINC000417332164 386501836 /nfs/dbraw/zinc/50/18/36/386501836.db2.gz CSTZRDZVVIHFLT-MDZLAQPJSA-N 2 0 220.360 1.859 20 0 BDADRP COc1cc(C)nc(CN[C@@H](C)[C@H](C)[NH3+])c1 ZINC000415016765 386503174 /nfs/dbraw/zinc/50/31/74/386503174.db2.gz OSWXSCMHFFPWLB-UWVGGRQHSA-N 2 0 223.320 1.224 20 0 BDADRP CC(C)([NH3+])C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415019194 386505159 /nfs/dbraw/zinc/50/51/59/386505159.db2.gz DMEJZFURFPKKKB-XYPYZODXSA-N 3 0 213.369 1.078 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C2([NH3+])CCC2)cc1 ZINC000335444156 386506194 /nfs/dbraw/zinc/50/61/94/386506194.db2.gz KJPKDDDXFZRITD-SECBINFHSA-N 2 0 233.315 1.526 20 0 BDADRP CC(C)n1nccc1C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415050321 386507292 /nfs/dbraw/zinc/50/72/92/386507292.db2.gz YMFZLMOBDQFSOL-NWDGAFQWSA-N 2 0 236.363 1.681 20 0 BDADRP [NH3+]CCC[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccccc1 ZINC000415052339 386507799 /nfs/dbraw/zinc/50/77/99/386507799.db2.gz KRIKBWJHURBZLD-OAHLLOKOSA-N 3 0 247.386 1.808 20 0 BDADRP CCCC[C@H](COC)[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000415019636 386509492 /nfs/dbraw/zinc/50/94/92/386509492.db2.gz SDLYDACYYRATEA-GARJFASQSA-N 2 0 202.342 1.517 20 0 BDADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]CC2CC[NH2+]CC2)CC1 ZINC000415022788 386511533 /nfs/dbraw/zinc/51/15/33/386511533.db2.gz JNFHALRRVQFRNP-JOCQHMNTSA-N 3 0 239.407 1.341 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415021363 386511960 /nfs/dbraw/zinc/51/19/60/386511960.db2.gz YJXWNTHTOWULHV-FRRDWIJNSA-N 3 0 227.396 1.482 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000415024779 386514906 /nfs/dbraw/zinc/51/49/06/386514906.db2.gz PNBSSWBRYMNIFO-XJFOESAGSA-N 3 0 239.407 1.624 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415036554 386524990 /nfs/dbraw/zinc/52/49/90/386524990.db2.gz LNLDAIYFQTYULG-FVCCEPFGSA-N 3 0 225.380 1.234 20 0 BDADRP C[C@@H](CCc1ccccc1F)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415039299 386526071 /nfs/dbraw/zinc/52/60/71/386526071.db2.gz PEDKFVXGLYKHAK-MUYACECFSA-N 2 0 248.345 1.954 20 0 BDADRP CC(C)n1nccc1CN[C@@H]1CC[NH2+]C1(C)C ZINC000415038993 386526851 /nfs/dbraw/zinc/52/68/51/386526851.db2.gz MWARQRLCXXWJFF-GFCCVEGCSA-N 2 0 236.363 1.694 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)N(C)C1CC[NH+](C)CC1 ZINC000048221066 386577193 /nfs/dbraw/zinc/57/71/93/386577193.db2.gz MRGZFHDONWVYAC-CYBMUJFWSA-N 2 0 241.379 1.057 20 0 BDADRP CCC(CC)(CCO)C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000415076544 386580673 /nfs/dbraw/zinc/58/06/73/386580673.db2.gz CVQWNDSKVWSBBM-CYBMUJFWSA-N 2 0 242.407 1.907 20 0 BDADRP CC[N@@H+]1CCCC[C@H]1CN[C@H]1CCC[NH2+]CC1 ZINC000415076362 386581272 /nfs/dbraw/zinc/58/12/72/386581272.db2.gz GIAAQCYMMHTRQX-KBPBESRZSA-N 3 0 239.407 1.593 20 0 BDADRP CC[C@H]([NH2+][C@H]1CCC[NH2+]CC1)[C@@H]1CCCO1 ZINC000415080939 386591115 /nfs/dbraw/zinc/59/11/15/386591115.db2.gz MLZIIOJBDGXAON-AVGNSLFASA-N 2 0 226.364 1.676 20 0 BDADRP CCCC[C@H](COC)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415045155 386531031 /nfs/dbraw/zinc/53/10/31/386531031.db2.gz SPTJHFXFGLEKMW-OLZOCXBDSA-N 2 0 244.379 1.160 20 0 BDADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCSC2)C1 ZINC000415045977 386532278 /nfs/dbraw/zinc/53/22/78/386532278.db2.gz UTMUJQMSGOZNFA-GMTAPVOTSA-N 2 0 214.378 1.599 20 0 BDADRP CC(C)[NH+]1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000062911264 386533545 /nfs/dbraw/zinc/53/35/45/386533545.db2.gz YAAJZYXOEXTJTE-ZDUSSCGKSA-N 2 0 225.380 1.012 20 0 BDADRP CC(C)(C)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414789203 386536107 /nfs/dbraw/zinc/53/61/07/386536107.db2.gz XYTBQJFGHSSJJU-GFCCVEGCSA-N 2 0 240.391 1.720 20 0 BDADRP CC(C)(C)[C@@H](C[NH3+])NCc1cccc(O)c1 ZINC000415056295 386538053 /nfs/dbraw/zinc/53/80/53/386538053.db2.gz PUOBAHVOHUOCHQ-GFCCVEGCSA-N 2 0 222.332 1.855 20 0 BDADRP COC(=O)C1CCC([NH2+]C[C@H]([NH3+])C(C)C)CC1 ZINC000414790786 386545298 /nfs/dbraw/zinc/54/52/98/386545298.db2.gz GWBRQBYZAYKTKU-MCIGGMRASA-N 2 0 242.363 1.291 20 0 BDADRP C[N@H+](CCc1cccnc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000063223645 386546239 /nfs/dbraw/zinc/54/62/39/386546239.db2.gz YPGJVLBSZUPRGQ-YIONKMFJSA-N 2 0 245.370 1.839 20 0 BDADRP CC[NH+]1CCC(N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000415064499 386546152 /nfs/dbraw/zinc/54/61/52/386546152.db2.gz KUKPAMFSNNUZTH-CQSZACIVSA-N 2 0 239.407 1.578 20 0 BDADRP CC[NH+](CC)CCCN[C@H]1C[N@H+](C)C[C@@H]1C ZINC000336755832 386546814 /nfs/dbraw/zinc/54/68/14/386546814.db2.gz GNLGIAKQYNXRBD-STQMWFEESA-N 2 0 227.396 1.258 20 0 BDADRP C(C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000647995230 386547524 /nfs/dbraw/zinc/54/75/24/386547524.db2.gz HPODHWIDNHKFQE-UPJWGTAASA-N 2 0 224.348 1.097 20 0 BDADRP CC[C@@H]1C[C@@H](C[NH2+][C@@H]2CCCC[NH2+]C2)CCO1 ZINC000415070283 386550364 /nfs/dbraw/zinc/55/03/64/386550364.db2.gz QMQBTGYLVUBXHA-BFHYXJOUSA-N 2 0 240.391 1.923 20 0 BDADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000414793103 386564433 /nfs/dbraw/zinc/56/44/33/386564433.db2.gz JUENMMQTRWRMQH-LOWDOPEQSA-N 2 0 238.375 1.517 20 0 BDADRP CC[N@@H+]1CCCC[C@H]1CN[C@@H]1CCC[NH2+]C1 ZINC000415074623 386566320 /nfs/dbraw/zinc/56/63/20/386566320.db2.gz DAOICYHHHPPGAF-OLZOCXBDSA-N 2 0 225.380 1.202 20 0 BDADRP C[C@@H](CC1CCOCC1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415074402 386567104 /nfs/dbraw/zinc/56/71/04/386567104.db2.gz PIWRXWLEOMGGAO-GXTWGEPZSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@]1(C[NH2+]CCc2ccc(F)cc2)CC[NH2+]C1 ZINC000415075238 386568868 /nfs/dbraw/zinc/56/88/68/386568868.db2.gz BGWOLBRTNAWTNY-CQSZACIVSA-N 2 0 236.334 1.957 20 0 BDADRP Cc1ccc(N[C@@H]2CC[NH2+]C2)c(C[NH+](C)C)c1 ZINC000415112071 386619745 /nfs/dbraw/zinc/61/97/45/386619745.db2.gz CSOZMSVWZWSWKU-CYBMUJFWSA-N 2 0 233.359 1.830 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@H]1CCCC[C@H]1C[NH3+] ZINC000414808946 386624348 /nfs/dbraw/zinc/62/43/48/386624348.db2.gz SVGYYPCWZUFAPA-AVGNSLFASA-N 2 0 227.396 1.467 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC2CCC1CC2)C1C[NH2+]C1 ZINC000335501371 386630402 /nfs/dbraw/zinc/63/04/02/386630402.db2.gz SDFUNDPTNMOICP-HHISKICNSA-N 2 0 208.349 1.763 20 0 BDADRP C[N@@H+]1CC[C@@]2(CCN(Cc3cccnc3)C2)C1 ZINC000292187613 386631028 /nfs/dbraw/zinc/63/10/28/386631028.db2.gz RBDVIZRCLYHRKX-CQSZACIVSA-N 2 0 231.343 1.609 20 0 BDADRP CC[C@H]1C[C@@H](C[NH2+]CC(C)(C)[NH3+])CCO1 ZINC000414810508 386631624 /nfs/dbraw/zinc/63/16/24/386631624.db2.gz XDNRMOAOIGAHRG-QWRGUYRKSA-N 2 0 214.353 1.519 20 0 BDADRP [NH3+]C[C@@H](NCc1ccccc1F)C1CC1 ZINC000414813406 386642550 /nfs/dbraw/zinc/64/25/50/386642550.db2.gz YHTZVDCYFSALJB-GFCCVEGCSA-N 2 0 208.280 1.653 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000414814927 386648526 /nfs/dbraw/zinc/64/85/26/386648526.db2.gz ZODVFCOJFHUBRP-YIOUJQMASA-N 3 0 239.407 1.611 20 0 BDADRP C[C@H](CC1CCOCC1)C[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000340670952 386653003 /nfs/dbraw/zinc/65/30/03/386653003.db2.gz HHHQQHYETUHBFH-BZPMIXESSA-N 2 0 240.391 1.718 20 0 BDADRP CCC(CC)(CCO)C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000415082447 386599442 /nfs/dbraw/zinc/59/94/42/386599442.db2.gz MAEVHQIDNHOPDC-ZDUSSCGKSA-N 2 0 242.407 1.764 20 0 BDADRP CCC([NH3+])(CC)CN[C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000414804020 386605786 /nfs/dbraw/zinc/60/57/86/386605786.db2.gz DQCWMSRZYSYRKH-NEPJUHHUSA-N 2 0 227.396 1.624 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](CCO)C(C)(C)C ZINC000336645898 386607186 /nfs/dbraw/zinc/60/71/86/386607186.db2.gz DIBVTKJYHCHHRN-NEPJUHHUSA-N 2 0 230.396 1.891 20 0 BDADRP CC(C)(C)[NH+]1CCC(N[C@@H](C[NH3+])C2CC2)CC1 ZINC000414805164 386608739 /nfs/dbraw/zinc/60/87/39/386608739.db2.gz PHMIXNFXFYDJJC-ZDUSSCGKSA-N 2 0 239.407 1.576 20 0 BDADRP CCOc1cccc(CN[C@H](C[NH3+])C2CC2)c1 ZINC000414807842 386611546 /nfs/dbraw/zinc/61/15/46/386611546.db2.gz RPCNWIIDEDMDNZ-CQSZACIVSA-N 2 0 234.343 1.912 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414819945 386660268 /nfs/dbraw/zinc/66/02/68/386660268.db2.gz IRTUVLKPOBDHCU-UPJWGTAASA-N 2 0 236.363 1.249 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414819944 386660959 /nfs/dbraw/zinc/66/09/59/386660959.db2.gz IRTUVLKPOBDHCU-JHJVBQTASA-N 2 0 236.363 1.249 20 0 BDADRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000428119848 386661377 /nfs/dbraw/zinc/66/13/77/386661377.db2.gz JJYALWSVTMZAJC-NWDGAFQWSA-N 2 0 241.379 1.057 20 0 BDADRP C[C@H](CC1CCOCC1)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414820083 386664025 /nfs/dbraw/zinc/66/40/25/386664025.db2.gz AFHVMFKJZVFHSZ-YPMHNXCESA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H](CC1CCOCC1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414820081 386666003 /nfs/dbraw/zinc/66/60/03/386666003.db2.gz AFHVMFKJZVFHSZ-DGCLKSJQSA-N 2 0 226.364 1.533 20 0 BDADRP COCC1(CC[NH2+][C@@H](C)C2C[NH2+]C2)CC1 ZINC000520408390 386666948 /nfs/dbraw/zinc/66/69/48/386666948.db2.gz JYNLDSBLIWFNDJ-JTQLQIEISA-N 2 0 212.337 1.001 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)C[NH+](C)C ZINC000425928833 386668365 /nfs/dbraw/zinc/66/83/65/386668365.db2.gz WESTWERXZXOYMY-RDBSUJKOSA-N 2 0 242.407 1.979 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000414818647 386668437 /nfs/dbraw/zinc/66/84/37/386668437.db2.gz WIMSXGGYWHYUPE-DOMZBBRYSA-N 3 0 247.386 1.938 20 0 BDADRP Cc1cccc(C)c1C[N@H+](C)CCOCC[NH3+] ZINC000302355499 386710272 /nfs/dbraw/zinc/71/02/72/386710272.db2.gz KLGAZJDCBFXJHO-UHFFFAOYSA-N 2 0 236.359 1.711 20 0 BDADRP Cc1ccncc1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414827770 386694244 /nfs/dbraw/zinc/69/42/44/386694244.db2.gz YJIXYCOIBREHLK-CHWSQXEVSA-N 2 0 233.359 1.868 20 0 BDADRP CC(C)C[C@H]([NH3+])CNC[C@@H]([NH3+])c1ccccc1 ZINC000414828072 386699583 /nfs/dbraw/zinc/69/95/83/386699583.db2.gz IINHLBDWSCSIHN-UONOGXRCSA-N 2 0 235.375 1.649 20 0 BDADRP C[NH2+]C[C@H](C)CNCc1ccc(F)c(F)c1 ZINC000414830395 386704892 /nfs/dbraw/zinc/70/48/92/386704892.db2.gz CCMJFZJXRBCKEH-VIFPVBQESA-N 2 0 228.286 1.910 20 0 BDADRP COC[C@H](C)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357051166 386704935 /nfs/dbraw/zinc/70/49/35/386704935.db2.gz MSHWUUDENLJFIS-WCQYABFASA-N 2 0 226.364 1.343 20 0 BDADRP CC(C)C[C@H](C[NH3+])NCc1ccn(C(F)F)n1 ZINC000414836753 386732669 /nfs/dbraw/zinc/73/26/69/386732669.db2.gz JBGCXXRYWRFGIN-SNVBAGLBSA-N 2 0 246.305 1.741 20 0 BDADRP C[NH2+][C@H]1CCN(C(=O)c2ccc([C@H](C)[NH3+])cc2)C1 ZINC000335485627 386714404 /nfs/dbraw/zinc/71/44/04/386714404.db2.gz GKCJAXWCWQWLQN-GWCFXTLKSA-N 2 0 247.342 1.140 20 0 BDADRP CC[C@@H](C)[C@H]1CCCC[N@@H+]1CCOCC[NH3+] ZINC000357089299 386715854 /nfs/dbraw/zinc/71/58/54/386715854.db2.gz PKPPPFDZIXZXAC-CHWSQXEVSA-N 2 0 228.380 1.862 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccc(F)c1 ZINC000122361143 386746186 /nfs/dbraw/zinc/74/61/86/386746186.db2.gz FCSGAFAURXGZER-ZYHUDNBSSA-N 2 0 222.307 1.995 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+]C1CCN(CC(F)F)CC1 ZINC000414840858 386750819 /nfs/dbraw/zinc/75/08/19/386750819.db2.gz NSCDSGUFICOAEW-SNVBAGLBSA-N 2 0 249.349 1.161 20 0 BDADRP CC[N@H+](CC(C)C)C[C@H](O)CN(C)C1CC1 ZINC000336666696 386773981 /nfs/dbraw/zinc/77/39/81/386773981.db2.gz QAVVYOREGWOMTH-CYBMUJFWSA-N 2 0 228.380 1.419 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCN[C@H]2C)C1(C)C ZINC000396579437 386780161 /nfs/dbraw/zinc/78/01/61/386780161.db2.gz DQTDIMYAIISWIK-ZDEQEGDKSA-N 2 0 240.391 1.920 20 0 BDADRP CC[NH2+]CCN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000414845002 386783469 /nfs/dbraw/zinc/78/34/69/386783469.db2.gz LJJKSHNMQAKJME-OLZOCXBDSA-N 2 0 227.396 1.496 20 0 BDADRP CC[NH2+]CCN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000414845003 386784167 /nfs/dbraw/zinc/78/41/67/386784167.db2.gz LJJKSHNMQAKJME-QWHCGFSZSA-N 2 0 227.396 1.496 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000396601316 386788465 /nfs/dbraw/zinc/78/84/65/386788465.db2.gz XKGPKQXVEHNOSD-CRWXNKLISA-N 2 0 237.391 1.343 20 0 BDADRP C[C@@H]1OCC[C@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414846623 386817686 /nfs/dbraw/zinc/81/76/86/386817686.db2.gz UPTWYSLZRGNFRA-QJPTWQEYSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000398387936 386817903 /nfs/dbraw/zinc/81/79/03/386817903.db2.gz PRONCKDEUFUWFF-AGIUHOORSA-N 2 0 228.380 1.645 20 0 BDADRP CO[C@H](C[NH2+]C1CCC([NH+](C)C)CC1)C1CC1 ZINC000645498119 386813530 /nfs/dbraw/zinc/81/35/30/386813530.db2.gz XEBKBZDBWXNSGB-JXQTWKCFSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@H]([NH2+]Cc1cccc(O)c1)[C@@H]1CCC[NH2+]C1 ZINC000414846260 386815961 /nfs/dbraw/zinc/81/59/61/386815961.db2.gz DVKMUFPTEFGCNN-WCQYABFASA-N 2 0 234.343 1.870 20 0 BDADRP Nc1ccc2c(c1)CCC[C@H]2[NH2+]CC1(C[NH3+])CC1 ZINC000414936477 386831412 /nfs/dbraw/zinc/83/14/12/386831412.db2.gz UXZDZDMTKHNFBZ-CQSZACIVSA-N 2 0 245.370 1.975 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CCN1CCCCC1 ZINC000336673660 386833778 /nfs/dbraw/zinc/83/37/78/386833778.db2.gz UEESAKVHUWZBJK-ZDUSSCGKSA-N 2 0 227.396 1.579 20 0 BDADRP CS[C@H]1CC[C@@H]1[NH2+]CCC[NH+](C)C ZINC000425334383 386848150 /nfs/dbraw/zinc/84/81/50/386848150.db2.gz DQLBJWVSSMNRQQ-UWVGGRQHSA-N 2 0 202.367 1.422 20 0 BDADRP C[N@@H+]1CCC[C@]2(CC[NH+]([C@@H]3CCCOC3)C2)C1 ZINC000645187918 386850964 /nfs/dbraw/zinc/85/09/64/386850964.db2.gz LDQXSMMQPIDCDJ-KGLIPLIRSA-N 2 0 238.375 1.583 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cccc(N)c2)CC[C@@H]1[NH3+] ZINC000335747857 386870582 /nfs/dbraw/zinc/87/05/82/386870582.db2.gz VSULNPLIEPXWJD-MFKMUULPSA-N 2 0 219.332 1.438 20 0 BDADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000331604046 386874512 /nfs/dbraw/zinc/87/45/12/386874512.db2.gz OJRNEHATODVNRW-FDRIWYBQSA-N 3 0 245.370 1.848 20 0 BDADRP COC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000331665123 386880030 /nfs/dbraw/zinc/88/00/30/386880030.db2.gz QUDVBWWNNGTRIX-SDDRHHMPSA-N 2 0 240.347 1.060 20 0 BDADRP [NH3+]C1CC[NH+](Cc2cccc3c[nH]nc32)CC1 ZINC000334841786 386886939 /nfs/dbraw/zinc/88/69/39/386886939.db2.gz QEKQRFAOZQJBAJ-UHFFFAOYSA-N 2 0 230.315 1.486 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCN1Cc1ccc2c(c1)ncn2C ZINC000334842087 386887076 /nfs/dbraw/zinc/88/70/76/386887076.db2.gz JZUVXCKIBFKSLR-ZYHUDNBSSA-N 2 0 244.342 1.495 20 0 BDADRP [NH3+][C@@H]1CCN(Cc2cccc3c2NCC3)C1 ZINC000335760182 386897462 /nfs/dbraw/zinc/89/74/62/386897462.db2.gz BLSWDPFRIWOESU-GFCCVEGCSA-N 2 0 217.316 1.188 20 0 BDADRP C[C@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)c1cc[nH]c(=O)c1 ZINC000340443082 386901312 /nfs/dbraw/zinc/90/13/12/386901312.db2.gz CQQAJEOZQBEDKU-MDZLAQPJSA-N 2 0 249.358 1.921 20 0 BDADRP C([C@H]1CCC[NH2+]C1)N1CCO[C@@H](C2CCC2)C1 ZINC000334856476 386909275 /nfs/dbraw/zinc/90/92/75/386909275.db2.gz YPNFWGYVXKXAIH-GXTWGEPZSA-N 2 0 238.375 1.487 20 0 BDADRP CC[C@H](O)CC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000331903123 386923940 /nfs/dbraw/zinc/92/39/40/386923940.db2.gz FJMLYWRIQJIRDM-SRVKXCTJSA-N 2 0 214.353 1.397 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000331899816 386924889 /nfs/dbraw/zinc/92/48/89/386924889.db2.gz RCRZAZRTDWCGJZ-YNEHKIRRSA-N 2 0 228.380 1.501 20 0 BDADRP C(C1CC1)[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000334867936 386926861 /nfs/dbraw/zinc/92/68/61/386926861.db2.gz GCUOVKSPYUMVSQ-QWHCGFSZSA-N 2 0 208.349 1.860 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccccn2)C1 ZINC000161711015 386928172 /nfs/dbraw/zinc/92/81/72/386928172.db2.gz WIRHZSCSJUMNCP-MNOVXSKESA-N 2 0 205.305 1.251 20 0 BDADRP CC(C)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000334869105 386928639 /nfs/dbraw/zinc/92/86/39/386928639.db2.gz OUXJNMKJICAZCY-OLZOCXBDSA-N 2 0 226.364 1.471 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000331961681 386933258 /nfs/dbraw/zinc/93/32/58/386933258.db2.gz IMCSJODSFKIVSO-HJPIBITLSA-N 2 0 245.370 1.861 20 0 BDADRP CC1(C)CCC[C@H]1[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000334874445 386935412 /nfs/dbraw/zinc/93/54/12/386935412.db2.gz MJSIMJRSBRFZDX-VXGBXAGGSA-N 2 0 226.364 1.533 20 0 BDADRP CCSCC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000368319684 386958677 /nfs/dbraw/zinc/95/86/77/386958677.db2.gz YHRNPWBXDRYFPW-LBPRGKRZSA-N 2 0 228.405 1.767 20 0 BDADRP CCOCC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000368313518 386958722 /nfs/dbraw/zinc/95/87/22/386958722.db2.gz DCMUZXCAYNVYIF-GFCCVEGCSA-N 2 0 212.337 1.051 20 0 BDADRP C[NH+]1CCN(CCC[NH2+]C2CC(C)(C)C2)CC1 ZINC000395182944 386970660 /nfs/dbraw/zinc/97/06/60/386970660.db2.gz OWUXMLCEJJEREP-UHFFFAOYSA-N 2 0 239.407 1.402 20 0 BDADRP c1ccc(OCCN2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107572917 387033401 /nfs/dbraw/zinc/03/34/01/387033401.db2.gz ICDOWQIHFLZQNB-BETUJISGSA-N 2 0 232.327 1.217 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000334955613 387034384 /nfs/dbraw/zinc/03/43/84/387034384.db2.gz NFIMQRIIMMDSHJ-GWCFXTLKSA-N 2 0 247.342 1.472 20 0 BDADRP CCC[C@H]1C[NH2+]CCN1C[C@@H]1CCC[NH2+]C1 ZINC000359055233 387050500 /nfs/dbraw/zinc/05/05/00/387050500.db2.gz KMYGOUYKDFMSBS-OLZOCXBDSA-N 2 0 225.380 1.060 20 0 BDADRP COc1cccc2c1CCN(CC[NH3+])CC2 ZINC000334968906 387052868 /nfs/dbraw/zinc/05/28/68/387052868.db2.gz PCKBWRSBEWKZKU-UHFFFAOYSA-N 2 0 220.316 1.055 20 0 BDADRP c1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)no1 ZINC000334980286 387067506 /nfs/dbraw/zinc/06/75/06/387067506.db2.gz MBPJUUKJQFVGAP-NEPJUHHUSA-N 2 0 235.331 1.496 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000333119183 387019080 /nfs/dbraw/zinc/01/90/80/387019080.db2.gz HVNZLUYJRXNVRK-XQQFMLRXSA-N 3 0 225.380 1.236 20 0 BDADRP Cn1c(N[C@@H]2CCC[NH2+]C2)nc2cccc(F)c21 ZINC000334979899 387065971 /nfs/dbraw/zinc/06/59/71/387065971.db2.gz KBPFXFBLSPFBID-SECBINFHSA-N 2 0 248.305 1.298 20 0 BDADRP C[C@H]1C[C@H](C[N@@H+]2CCOCC23CC3)CC[NH2+]1 ZINC000334882507 387025156 /nfs/dbraw/zinc/02/51/56/387025156.db2.gz NCAWYJSZACMHER-NWDGAFQWSA-N 2 0 224.348 1.239 20 0 BDADRP CC/C=C\CC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639766357 387070294 /nfs/dbraw/zinc/07/02/94/387070294.db2.gz NPBKERUJJDFPDD-GEXIGZQTSA-N 2 0 240.391 1.731 20 0 BDADRP CC[C@H](C)[N@@H+]1CCC[C@@](O)(CN(C)C)C1 ZINC000639766716 387071944 /nfs/dbraw/zinc/07/19/44/387071944.db2.gz OLKZROSAKHJZHS-NWDGAFQWSA-N 2 0 214.353 1.173 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000126912605 387074262 /nfs/dbraw/zinc/07/42/62/387074262.db2.gz GVHVETQWFJFVQT-BXUZGUMPSA-N 2 0 246.354 1.791 20 0 BDADRP C(C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)[C@H]1CCCO1 ZINC000334994873 387086416 /nfs/dbraw/zinc/08/64/16/387086416.db2.gz VSXCLHJKXVVSFR-ZIAGYGMSSA-N 2 0 238.375 1.631 20 0 BDADRP Nc1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000334997117 387088081 /nfs/dbraw/zinc/08/80/81/387088081.db2.gz SYAZQESQJMQJCG-OKILXGFUSA-N 2 0 245.370 1.700 20 0 BDADRP CC(C)([NH3+])CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000071137285 387090896 /nfs/dbraw/zinc/09/08/96/387090896.db2.gz RCFNOQBZTDUJSA-LBPRGKRZSA-N 2 0 225.380 1.284 20 0 BDADRP C(C[NH+]1CCC2(CC[NH2+]C2)CC1)[C@H]1CCCO1 ZINC000334997885 387091084 /nfs/dbraw/zinc/09/10/84/387091084.db2.gz XPJJNRKBECGRNQ-CYBMUJFWSA-N 2 0 238.375 1.631 20 0 BDADRP COc1ccc(C[NH2+]CCC[NH2+]C2CC2)cc1 ZINC000228411462 387094097 /nfs/dbraw/zinc/09/40/97/387094097.db2.gz BKZSDEOTULWMGK-UHFFFAOYSA-N 2 0 234.343 1.927 20 0 BDADRP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000188829259 387095229 /nfs/dbraw/zinc/09/52/29/387095229.db2.gz FMKXEJQQRWZMNJ-REWJHTLYSA-N 2 0 238.375 1.770 20 0 BDADRP C1C[C@@]2(CS1)CCC[N@@H+](C1CC[NH2+]CC1)C2 ZINC000335010176 387104690 /nfs/dbraw/zinc/10/46/90/387104690.db2.gz PBDVOUGJKKVQIB-ZDUSSCGKSA-N 2 0 240.416 1.958 20 0 BDADRP Cc1cccc2c1OC[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)C2 ZINC000335009157 387105454 /nfs/dbraw/zinc/10/54/54/387105454.db2.gz MCDTVTFVMXWTRS-SMDDNHRTSA-N 2 0 246.354 1.496 20 0 BDADRP C[C@@H]1COCC[C@H]1[NH2+]CC1([NH3+])CCCCC1 ZINC000335011461 387106106 /nfs/dbraw/zinc/10/61/06/387106106.db2.gz SSMGDRFOMQHEOI-VXGBXAGGSA-N 2 0 226.364 1.663 20 0 BDADRP CCSCC[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000336766453 387111044 /nfs/dbraw/zinc/11/10/44/387111044.db2.gz ROKNXGFMBHZGBO-ZYHUDNBSSA-N 2 0 228.405 1.812 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC1(O)CCC1 ZINC000127394470 387115844 /nfs/dbraw/zinc/11/58/44/387115844.db2.gz CBWFVSGOMJLLHQ-OLZOCXBDSA-N 2 0 240.391 1.802 20 0 BDADRP C[N@H+](C[C@@H]1CCCOC1)[C@H]1CCC[NH2+]CC1 ZINC000250454863 387124307 /nfs/dbraw/zinc/12/43/07/387124307.db2.gz WFWLODQYNNXXKN-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP CCC1(CC)[C@H]([NH2+]CC2C[NH2+]C2)C[C@H]1OC ZINC000423306455 387141951 /nfs/dbraw/zinc/14/19/51/387141951.db2.gz TWQYFSXZQKRYHQ-VXGBXAGGSA-N 2 0 226.364 1.389 20 0 BDADRP COc1ccc2c(c1)C[C@H]([NH2+]CC1C[NH2+]C1)CC2 ZINC000423308437 387142930 /nfs/dbraw/zinc/14/29/30/387142930.db2.gz XXTRUYPBNBQITR-CQSZACIVSA-N 2 0 246.354 1.362 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)C[NH3+])C12CCCC2 ZINC000423310287 387146373 /nfs/dbraw/zinc/14/63/73/387146373.db2.gz RRVOFUKMQGVRFX-JHJVBQTASA-N 2 0 240.391 1.909 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@H](C)C1CCSCC1 ZINC000423310919 387147724 /nfs/dbraw/zinc/14/77/24/387147724.db2.gz SPLZNCOGZIKXDQ-NXEZZACHSA-N 2 0 216.394 1.703 20 0 BDADRP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423310947 387148676 /nfs/dbraw/zinc/14/86/76/387148676.db2.gz AZQMAPKJODONCM-RWMBFGLXSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@H](C[NH3+])CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000423310893 387148956 /nfs/dbraw/zinc/14/89/56/387148956.db2.gz SOJUAPBSTWAODV-FDYHWXHSSA-N 2 0 225.380 1.044 20 0 BDADRP C[C@H](C[NH3+])N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423318832 387159847 /nfs/dbraw/zinc/15/98/47/387159847.db2.gz DVBWSCHKIBVOKH-ZHAHWJHGSA-N 2 0 205.305 1.068 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCC[C@H](C)C1 ZINC000300159727 387161179 /nfs/dbraw/zinc/16/11/79/387161179.db2.gz SMWBRUFWSMSDIT-AVGNSLFASA-N 2 0 228.380 1.909 20 0 BDADRP C[C@@H](Cc1ccoc1)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423330144 387172122 /nfs/dbraw/zinc/17/21/22/387172122.db2.gz TYDNHCHGUTZCRA-CABZTGNLSA-N 2 0 208.305 1.538 20 0 BDADRP C[C@@H](Cc1ccoc1)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423330146 387172583 /nfs/dbraw/zinc/17/25/83/387172583.db2.gz TYDNHCHGUTZCRA-JOYOIKCWSA-N 2 0 208.305 1.538 20 0 BDADRP CC[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)[C@H]1CCOC1 ZINC000423335422 387183947 /nfs/dbraw/zinc/18/39/47/387183947.db2.gz RWJCTOPKCCMLLF-QWHCGFSZSA-N 2 0 240.391 1.781 20 0 BDADRP COCCC[C@@H](C)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423337263 387185556 /nfs/dbraw/zinc/18/55/56/387185556.db2.gz UBXRENGMJGCZCI-OLZOCXBDSA-N 2 0 228.380 1.781 20 0 BDADRP CCc1cccnc1[C@H](C)[NH2+]C[C@@H](C)C[NH3+] ZINC000423301777 387135263 /nfs/dbraw/zinc/13/52/63/387135263.db2.gz GKKNGCFFXQFZJH-QWRGUYRKSA-N 2 0 221.348 1.889 20 0 BDADRP Cc1ncc([C@@H](C)[NH2+]C[C@H](C)C[NH3+])c(C)n1 ZINC000423303202 387136535 /nfs/dbraw/zinc/13/65/35/387136535.db2.gz WSGLFEJJXBIHIX-RKDXNWHRSA-N 2 0 222.336 1.339 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000423304968 387140092 /nfs/dbraw/zinc/14/00/92/387140092.db2.gz ZUPYANAWIUOKKN-GHMZBOCLSA-N 2 0 234.343 1.962 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000423305033 387140558 /nfs/dbraw/zinc/14/05/58/387140558.db2.gz ZZNQAERXMFOKPV-JHJVBQTASA-N 2 0 227.396 1.576 20 0 BDADRP C(C[C@H]1CCC[NH2+]1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000423355433 387205219 /nfs/dbraw/zinc/20/52/19/387205219.db2.gz FLGVDRNFKQILJC-MGPQQGTHSA-N 2 0 237.391 1.345 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CC2=CC[NH2+]CC2)[C@@H]2CCC[C@H]21 ZINC000423355243 387206144 /nfs/dbraw/zinc/20/61/44/387206144.db2.gz OSCOZKKZHSHQAL-SOUVJXGZSA-N 3 0 249.402 1.369 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423356749 387207441 /nfs/dbraw/zinc/20/74/41/387207441.db2.gz KGABEWCXVOGOKJ-VXGBXAGGSA-N 3 0 213.369 1.236 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)[C@H](C)O1 ZINC000423356217 387208845 /nfs/dbraw/zinc/20/88/45/387208845.db2.gz JPAJQDISIGUYAO-WRWGMCAJSA-N 2 0 212.337 1.284 20 0 BDADRP Cc1ccc([C@H](C)[NH2+]CCC[NH3+])c(C)n1 ZINC000643496719 387216853 /nfs/dbraw/zinc/21/68/53/387216853.db2.gz PPRPCDONSXJCIO-JTQLQIEISA-N 2 0 207.321 1.698 20 0 BDADRP CC[C@H](N[C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000423367925 387220907 /nfs/dbraw/zinc/22/09/07/387220907.db2.gz AUUHNRNUWAALBW-NDBYEHHHSA-N 2 0 225.380 1.247 20 0 BDADRP CCC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353517546 387221234 /nfs/dbraw/zinc/22/12/34/387221234.db2.gz JAKCPNNBROVPFG-FQUUOJAGSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@H]1CC[NH2+]C[C@H]1C ZINC000423400863 387233570 /nfs/dbraw/zinc/23/35/70/387233570.db2.gz QKXDZTYNQIFCDV-RFHZTLPTSA-N 2 0 237.391 1.057 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000423399003 387234033 /nfs/dbraw/zinc/23/40/33/387234033.db2.gz VTEASOFCLVYOEX-WDEREUQCSA-N 3 0 201.358 1.092 20 0 BDADRP COCC1(C[NH2+][C@H](C)[C@H](C)OC)CC[NH2+]CC1 ZINC000423406670 387244486 /nfs/dbraw/zinc/24/44/86/387244486.db2.gz KYWYLDPQNBKPBQ-NEPJUHHUSA-N 2 0 244.379 1.016 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000423406243 387244553 /nfs/dbraw/zinc/24/45/53/387244553.db2.gz UMNAMUAZQCBSED-XUXIUFHCSA-N 2 0 240.391 1.779 20 0 BDADRP CSCC[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000120414428 387244713 /nfs/dbraw/zinc/24/47/13/387244713.db2.gz WLLVJBUFSGRONN-LLVKDONJSA-N 2 0 216.394 1.766 20 0 BDADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000352478590 387246018 /nfs/dbraw/zinc/24/60/18/387246018.db2.gz YMHDCLWHHKEYFO-CYBMUJFWSA-N 3 0 225.380 1.189 20 0 BDADRP Cc1cnc(CN2CCCC[C@H]2CC[NH3+])o1 ZINC000352488143 387248947 /nfs/dbraw/zinc/24/89/47/387248947.db2.gz MSUARXGIZBEKCL-NSHDSACASA-N 2 0 223.320 1.686 20 0 BDADRP COCCC[C@H](C)[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000423419190 387248939 /nfs/dbraw/zinc/24/89/39/387248939.db2.gz IILIUMWRRROLMX-STQMWFEESA-N 2 0 244.379 1.160 20 0 BDADRP C[C@@H]([NH2+]Cc1cccc2c1CCCN2)C1C[NH2+]C1 ZINC000423416468 387249453 /nfs/dbraw/zinc/24/94/53/387249453.db2.gz QPNVFIIEACXXQH-LLVKDONJSA-N 2 0 245.370 1.742 20 0 BDADRP CC(C)(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423420754 387250620 /nfs/dbraw/zinc/25/06/20/387250620.db2.gz BHYFQLPRHWOXGL-ROHXPCBUSA-N 2 0 208.349 1.619 20 0 BDADRP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)C1C(C)(C)C1(C)C ZINC000423424611 387251720 /nfs/dbraw/zinc/25/17/20/387251720.db2.gz FYMFQRBTHUZHJG-ZNSHCXBVSA-N 2 0 222.376 1.865 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423427430 387252007 /nfs/dbraw/zinc/25/20/07/387252007.db2.gz QHZBIPGFSDCNIC-JHJVBQTASA-N 3 0 227.396 1.469 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CCOC1 ZINC000423462301 387310953 /nfs/dbraw/zinc/31/09/53/387310953.db2.gz DLIHSMQSZNJFDT-RFGFWPKPSA-N 2 0 240.391 1.909 20 0 BDADRP CCC[C@H]([NH2+]C[C@H]1C[NH2+]C[C@@H]1O)C(C)(C)C ZINC000423428867 387255073 /nfs/dbraw/zinc/25/50/73/387255073.db2.gz OPGFZOQWFDQKBQ-WOPDTQHZSA-N 2 0 228.380 1.371 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000423378979 387259994 /nfs/dbraw/zinc/25/99/94/387259994.db2.gz LKCZVXVGRMLMCE-XQHKEYJVSA-N 2 0 240.391 1.778 20 0 BDADRP C[C@H](N[C@H]1CC[NH2+][C@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000423377864 387260110 /nfs/dbraw/zinc/26/01/10/387260110.db2.gz KOJWMUZEIGTNLP-MROQNXINSA-N 2 0 225.380 1.247 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)CC[NH2+]1 ZINC000423380297 387262249 /nfs/dbraw/zinc/26/22/49/387262249.db2.gz NSFVDOAVBVENSK-RYMFRWLXSA-N 3 0 239.407 1.445 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)[C@@H](C)O1 ZINC000423382118 387266475 /nfs/dbraw/zinc/26/64/75/387266475.db2.gz JUXCQUDYIRXPQN-UEKVPHQBSA-N 2 0 246.354 1.945 20 0 BDADRP CC[NH2+][C@H](C)CN[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000423383496 387267292 /nfs/dbraw/zinc/26/72/92/387267292.db2.gz PGPWBMCQLUOPAM-DMDPSCGWSA-N 2 0 225.380 1.057 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC[C@H]1[NH2+]CCCC1(C)C ZINC000423385246 387268648 /nfs/dbraw/zinc/26/86/48/387268648.db2.gz KJGMORDOQZTZDR-SDDRHHMPSA-N 2 0 227.396 1.480 20 0 BDADRP C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)[C@@H]1CCC[NH2+]1 ZINC000423387443 387270116 /nfs/dbraw/zinc/27/01/16/387270116.db2.gz MURRADBSURACRK-ABAIWWIYSA-N 2 0 245.370 1.520 20 0 BDADRP CC1(C)CCC[NH2+][C@@H]1CN[C@H]1CCC[C@@H]1C[NH3+] ZINC000423387538 387271271 /nfs/dbraw/zinc/27/12/71/387271271.db2.gz MCMCRJATVQDCRP-FRRDWIJNSA-N 2 0 239.407 1.482 20 0 BDADRP CC[NH2+][C@H](C)CN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423386523 387271460 /nfs/dbraw/zinc/27/14/60/387271460.db2.gz LJIYLQHIWWZYCJ-IJLUTSLNSA-N 2 0 213.369 1.092 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@H]1NCCCC1(C)C ZINC000423391476 387277035 /nfs/dbraw/zinc/27/70/35/387277035.db2.gz PMISUJXWHTXCJD-VXGBXAGGSA-N 2 0 227.396 1.482 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+][C@@H](CC)[C@H]1CCOC1 ZINC000423393602 387278605 /nfs/dbraw/zinc/27/86/05/387278605.db2.gz YYVCWDJUGYICBW-WOPDTQHZSA-N 2 0 214.353 1.389 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H]1[NH2+]CCCC1(C)C ZINC000423393864 387279715 /nfs/dbraw/zinc/27/97/15/387279715.db2.gz RLUGCGFDODRMEG-FRRDWIJNSA-N 2 0 239.407 1.352 20 0 BDADRP C[C@@H]1CN(C)C[C@H]1[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423470432 387317849 /nfs/dbraw/zinc/31/78/49/387317849.db2.gz DKCPGXRPVSYXJR-FRRDWIJNSA-N 2 0 225.380 1.058 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000360430816 387281511 /nfs/dbraw/zinc/28/15/11/387281511.db2.gz YMRRRQJTWVKSAK-NWDGAFQWSA-N 2 0 240.391 1.874 20 0 BDADRP CC[NH2+]CCC[NH2+][C@@H](C)CCCCO ZINC000643499001 387282281 /nfs/dbraw/zinc/28/22/81/387282281.db2.gz KGHUMUQHPXEWOZ-NSHDSACASA-N 2 0 202.342 1.127 20 0 BDADRP COC[C@]1(C[NH2+][C@@H](C)C(C)(C)C)CCC[NH2+]1 ZINC000423432283 387282978 /nfs/dbraw/zinc/28/29/78/387282978.db2.gz QWGNBCJDJNGELE-WCQYABFASA-N 2 0 228.380 1.779 20 0 BDADRP C1CCC2(C1)[C@@H]1OCC[C@@H]1[C@@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423433053 387283827 /nfs/dbraw/zinc/28/38/27/387283827.db2.gz MUOKWVPKTHUGLV-NKTODWNOSA-N 2 0 248.370 1.142 20 0 BDADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC(C)(C)O)C1 ZINC000360437260 387284737 /nfs/dbraw/zinc/28/47/37/387284737.db2.gz LWOOIJNTKMZHGJ-ZDUSSCGKSA-N 2 0 242.407 1.811 20 0 BDADRP C1CCC2(C1)CCC[C@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423433782 387285731 /nfs/dbraw/zinc/28/57/31/387285731.db2.gz PNAYIZNEAUVTTN-XQHKEYJVSA-N 2 0 220.360 1.907 20 0 BDADRP CCN1C[C@H](C)[C@H]([NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000423435071 387286751 /nfs/dbraw/zinc/28/67/51/387286751.db2.gz OPLAXNJOFVIESF-RWMBFGLXSA-N 2 0 227.396 1.434 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[C@@H](C[NH3+])CC1 ZINC000423436498 387286812 /nfs/dbraw/zinc/28/68/12/387286812.db2.gz ZZFTXLXZRNVQEB-SYQHCUMBSA-N 3 0 239.407 1.469 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000423438181 387287871 /nfs/dbraw/zinc/28/78/71/387287871.db2.gz MSFDPLSEZKFWND-DEQVHRJGSA-N 2 0 238.375 1.532 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC000423480456 387290519 /nfs/dbraw/zinc/29/05/19/387290519.db2.gz VZZNYEZWONBVAB-SRVKXCTJSA-N 2 0 228.380 1.905 20 0 BDADRP CC(C)([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000336463691 387292235 /nfs/dbraw/zinc/29/22/35/387292235.db2.gz ZOTOEFDORQEPLB-UHFFFAOYSA-N 2 0 233.315 1.008 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000423442696 387292892 /nfs/dbraw/zinc/29/28/92/387292892.db2.gz VGMKOHDBJGTKNH-UPJWGTAASA-N 3 0 227.396 1.482 20 0 BDADRP C[C@H](C[C@H]1CCOC1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000643462029 387295334 /nfs/dbraw/zinc/29/53/34/387295334.db2.gz YQKLKAQGCCFFSS-NELGMTEASA-N 2 0 240.391 1.909 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)C[C@@H]1CCOC1 ZINC000643461993 387295801 /nfs/dbraw/zinc/29/58/01/387295801.db2.gz JDTGSRHOVCYKJJ-UPJWGTAASA-N 2 0 228.380 1.909 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])[C@H]1CCCC[NH2+]1 ZINC000423450047 387299696 /nfs/dbraw/zinc/29/96/96/387299696.db2.gz HCIYYMJDEQVWHE-QJPTWQEYSA-N 2 0 213.369 1.234 20 0 BDADRP CC[C@@H](C)C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000121110639 387301669 /nfs/dbraw/zinc/30/16/69/387301669.db2.gz GVAHUHGYBRNFFE-CYBMUJFWSA-N 2 0 242.407 1.811 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1ccn(C)n1 ZINC000423473767 387318672 /nfs/dbraw/zinc/31/86/72/387318672.db2.gz OAVJSHDKHWTTNV-TUAOUCFPSA-N 2 0 236.363 1.588 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@H](C)CC(=O)Nc1ccccc1 ZINC000423458132 387305558 /nfs/dbraw/zinc/30/55/58/387305558.db2.gz GJQLGRMPHVNMNJ-VXGBXAGGSA-N 2 0 249.358 1.731 20 0 BDADRP FCCC[C@H]1CCC[C@@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423458957 387305725 /nfs/dbraw/zinc/30/57/25/387305725.db2.gz QPFRBXQDQDUEEH-BNDIWNMDSA-N 2 0 226.339 1.712 20 0 BDADRP COC[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])C1CCCC1 ZINC000423457865 387307137 /nfs/dbraw/zinc/30/71/37/387307137.db2.gz GFXCFJLBFYJXLZ-UMNHJUIQSA-N 2 0 214.353 1.517 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]CCC[NH2+]C(C)C ZINC000514930520 387308525 /nfs/dbraw/zinc/30/85/25/387308525.db2.gz MYILGEFBWFGTNO-WDEREUQCSA-N 2 0 202.342 1.388 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NCCC[NH2+]C1CC1 ZINC000423527395 387355782 /nfs/dbraw/zinc/35/57/82/387355782.db2.gz MGOLYCMTPQGMOS-RISCZKNCSA-N 2 0 237.391 1.201 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2C[NH3+])CCO1 ZINC000423541642 387365222 /nfs/dbraw/zinc/36/52/22/387365222.db2.gz FSORKFKMSJTUTM-LOWDOPEQSA-N 2 0 226.364 1.661 20 0 BDADRP CC[C@H](C)C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423549294 387370906 /nfs/dbraw/zinc/37/09/06/387370906.db2.gz NHUREWSUAFDUOD-IGQOVBAYSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1Cc2ccccc21)C1C[NH2+]C1 ZINC000643453703 387371668 /nfs/dbraw/zinc/37/16/68/387371668.db2.gz UEHLVSOJXBCBKL-PWSUYJOCSA-N 2 0 216.328 1.524 20 0 BDADRP CCOC[C@@H]1CCC[C@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000423554126 387372451 /nfs/dbraw/zinc/37/24/51/387372451.db2.gz LBCIRYMMECJNSO-GXTWGEPZSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]1C[C@@H](N[C@@H]2CCCC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000423553663 387373114 /nfs/dbraw/zinc/37/31/14/387373114.db2.gz KQNYHZJUQCXYLN-JHJVBQTASA-N 2 0 237.391 1.343 20 0 BDADRP Cc1cc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])cc(C)n1 ZINC000423561314 387374741 /nfs/dbraw/zinc/37/47/41/387374741.db2.gz VSFZWIWJQAWKMK-KBPBESRZSA-N 2 0 233.359 1.915 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)CCO1 ZINC000423558955 387375532 /nfs/dbraw/zinc/37/55/32/387375532.db2.gz SRLQHKVISLVIHH-LPWJVIDDSA-N 2 0 226.364 1.674 20 0 BDADRP CC[C@H](C)[C@@H](C[NH2+][C@H](C)CC[NH+](C)C)OC ZINC000648659530 387378372 /nfs/dbraw/zinc/37/83/72/387378372.db2.gz SRCJTMMARXDSGP-YNEHKIRRSA-N 2 0 230.396 1.977 20 0 BDADRP CC[C@H]([NH2+][C@H]1CCCC[NH2+]C1)[C@H]1CCOC1 ZINC000423572638 387379134 /nfs/dbraw/zinc/37/91/34/387379134.db2.gz YMQRESVQEGRMPD-AVGNSLFASA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)[C@H]1CCOC1 ZINC000423571993 387379768 /nfs/dbraw/zinc/37/97/68/387379768.db2.gz YAQQMXBUPYFJRJ-SRVKXCTJSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000423473758 387320321 /nfs/dbraw/zinc/32/03/21/387320321.db2.gz QVXJDTOPYYFKRQ-HHHUOAJASA-N 2 0 224.348 1.269 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC[C@H]2CCC[NH2+]2)[C@H](C)O1 ZINC000423474845 387321201 /nfs/dbraw/zinc/32/12/01/387321201.db2.gz HSIUHSIHLBLBQG-XQHKEYJVSA-N 2 0 226.364 1.674 20 0 BDADRP C[C@@H](N[C@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000643462911 387322383 /nfs/dbraw/zinc/32/23/83/387322383.db2.gz YFGKGOTXMRPPDA-XBFCOCLRSA-N 2 0 237.391 1.201 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC[C@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000423476604 387324663 /nfs/dbraw/zinc/32/46/63/387324663.db2.gz JBSGCONMFAHRQJ-MGPQQGTHSA-N 3 0 239.407 1.591 20 0 BDADRP COC[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)C(C)C ZINC000423485764 387330814 /nfs/dbraw/zinc/33/08/14/387330814.db2.gz RVUQILADDGYHOC-STQMWFEESA-N 2 0 228.380 1.779 20 0 BDADRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)[C@H]1CCC[NH2+]1 ZINC000423487931 387333614 /nfs/dbraw/zinc/33/36/14/387333614.db2.gz UVVBHIVKOAHVTH-FRRDWIJNSA-N 3 0 225.380 1.249 20 0 BDADRP Cc1cccc([C@H](C)[NH2+]C[C@H]2CNCCN2C)c1 ZINC000423488883 387333843 /nfs/dbraw/zinc/33/38/43/387333843.db2.gz ZJWNEDHWAFCWDZ-DZGCQCFKSA-N 2 0 247.386 1.549 20 0 BDADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000423487935 387334121 /nfs/dbraw/zinc/33/41/21/387334121.db2.gz UVVBHIVKOAHVTH-XQQFMLRXSA-N 3 0 225.380 1.249 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)CN1C1CC1 ZINC000423486699 387334313 /nfs/dbraw/zinc/33/43/13/387334313.db2.gz BXHJQDJUXRYZAQ-LPWJVIDDSA-N 2 0 237.391 1.329 20 0 BDADRP C[NH+](C)[C@@H]1CCC[N@H+](CCCCO)CC1 ZINC000372951899 387335747 /nfs/dbraw/zinc/33/57/47/387335747.db2.gz GFMBHRIZQPNUJS-GFCCVEGCSA-N 2 0 214.353 1.175 20 0 BDADRP CC[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccn(C)n1 ZINC000423498124 387338162 /nfs/dbraw/zinc/33/81/62/387338162.db2.gz GMEOBVPDCMTGFU-WOPDTQHZSA-N 2 0 236.363 1.588 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)[C@H]1CCCO1 ZINC000423499646 387340378 /nfs/dbraw/zinc/34/03/78/387340378.db2.gz HWAUGPCUJLLTIW-NNYUYHANSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423497150 387340693 /nfs/dbraw/zinc/34/06/93/387340693.db2.gz YGTGGMNMMACENI-FRRDWIJNSA-N 2 0 240.391 1.779 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)CC[NH+](C)C)[C@H]1CCOC1 ZINC000303393175 387348100 /nfs/dbraw/zinc/34/81/00/387348100.db2.gz KDKBTLPHCJBNRJ-AVGNSLFASA-N 2 0 228.380 1.731 20 0 BDADRP CC(C)([NH3+])CN1CCC[N@@H+](C(C)(C)C)CC1 ZINC000336523883 387348933 /nfs/dbraw/zinc/34/89/33/387348933.db2.gz VZFJTOFRHSATGU-UHFFFAOYSA-N 2 0 227.396 1.530 20 0 BDADRP C[C@@H](N[C@@H](C[NH3+])C1CCCC1)[C@H]1CCC[NH2+]1 ZINC000423517409 387351177 /nfs/dbraw/zinc/35/11/77/387351177.db2.gz YQFVVHOYYZGFHA-RTXFEEFZSA-N 2 0 225.380 1.234 20 0 BDADRP FCCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000121436739 387351575 /nfs/dbraw/zinc/35/15/75/387351575.db2.gz YAOGPCIAKPBPKM-UHFFFAOYSA-N 2 0 244.354 1.390 20 0 BDADRP C[C@H](C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)C[NH+](C)C ZINC000309813161 387353098 /nfs/dbraw/zinc/35/30/98/387353098.db2.gz ZSISRTLQAFTQMU-FVCCEPFGSA-N 2 0 228.380 1.730 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CSC1(C)C ZINC000393834521 259713367 /nfs/dbraw/zinc/71/33/67/259713367.db2.gz MOANJBMOKYQUCC-UWVGGRQHSA-N 2 0 232.393 1.224 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC2CC[NH2+]CC2)[C@H](C)C1 ZINC000516044824 387450105 /nfs/dbraw/zinc/45/01/05/387450105.db2.gz UDRUJTVYPKLNKB-OCCSQVGLSA-N 3 0 239.407 1.306 20 0 BDADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)C(C)(C)C ZINC000162554440 387421590 /nfs/dbraw/zinc/42/15/90/387421590.db2.gz ALPPHNYSBDSLSV-ZDUSSCGKSA-N 2 0 241.423 1.648 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@H]1COC(C)(C)C1 ZINC000396819760 387501751 /nfs/dbraw/zinc/50/17/51/387501751.db2.gz JGZOUDRWVDAXKR-GHMZBOCLSA-N 2 0 214.353 1.484 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1COC(C)(C)C1 ZINC000396875270 387507410 /nfs/dbraw/zinc/50/74/10/387507410.db2.gz IDYSRUKDVUCKCJ-LBPRGKRZSA-N 2 0 228.380 1.874 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000643475479 387508739 /nfs/dbraw/zinc/50/87/39/387508739.db2.gz YDIFFDUMNJPNOT-FRRDWIJNSA-N 2 0 226.364 1.676 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000643475346 387509250 /nfs/dbraw/zinc/50/92/50/387509250.db2.gz JDMUGOPPIQHIOC-YIYPIFLZSA-N 2 0 240.391 1.922 20 0 BDADRP CC[NH+](CC)[C@H](C)CNC1CC[NH+](CC)CC1 ZINC000355319402 387519308 /nfs/dbraw/zinc/51/93/08/387519308.db2.gz RHEASCVEXATOEH-CYBMUJFWSA-N 2 0 241.423 1.791 20 0 BDADRP CC(C)C[C@H]1CCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000396979270 387525804 /nfs/dbraw/zinc/52/58/04/387525804.db2.gz SBWDSHKBEJWIAI-CQSZACIVSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@H](NCC[NH+]1CCCCCC1)[C@H]1CCC[NH2+]1 ZINC000400704791 387534506 /nfs/dbraw/zinc/53/45/06/387534506.db2.gz KQLLEOLCZGBVOZ-UONOGXRCSA-N 2 0 239.407 1.593 20 0 BDADRP C[C@H](C[NH2+][C@H](C)CC1CCOCC1)C[NH+](C)C ZINC000425948680 387534830 /nfs/dbraw/zinc/53/48/30/387534830.db2.gz DOYIYNGTFSNHDL-CHWSQXEVSA-N 2 0 242.407 1.979 20 0 BDADRP CC[C@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000304329422 387467153 /nfs/dbraw/zinc/46/71/53/387467153.db2.gz UUMYMFUJBTZORV-OLZOCXBDSA-N 2 0 226.364 1.175 20 0 BDADRP CO[C@H]1CCN(CCCCCF)[C@H](C[NH3+])C1 ZINC000304460027 387482770 /nfs/dbraw/zinc/48/27/70/387482770.db2.gz ZUABBUWVQTZWOS-RYUDHWBXSA-N 2 0 232.343 1.564 20 0 BDADRP C[C@@H](C[NH2+]CC1(C)COC1)N1CCC[C@@H](C)C1 ZINC000352792217 387486958 /nfs/dbraw/zinc/48/69/58/387486958.db2.gz LMWRKHWLGQLEEM-OLZOCXBDSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccccc1CO ZINC000643455971 387491531 /nfs/dbraw/zinc/49/15/31/387491531.db2.gz FZRMVFQQHQVJQV-LBPRGKRZSA-N 2 0 236.359 1.786 20 0 BDADRP C[NH+](C)CCCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000375851000 387587863 /nfs/dbraw/zinc/58/78/63/387587863.db2.gz KJUVZUYVYPQCMD-BFHYXJOUSA-N 2 0 239.407 1.401 20 0 BDADRP CC(C)C[C@@H](CN)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000643511199 387592298 /nfs/dbraw/zinc/59/22/98/387592298.db2.gz OYLYEDZOWGQICJ-OCCSQVGLSA-N 2 0 241.423 1.680 20 0 BDADRP Cc1ncc([C@@H](C)[NH2+]C[C@@H](C)C[NH3+])s1 ZINC000643514850 387599941 /nfs/dbraw/zinc/59/99/41/387599941.db2.gz QLJUEFLPQOXJTH-JGVFFNPUSA-N 2 0 213.350 1.697 20 0 BDADRP Cc1ncc([C@H](C)[NH2+]C[C@@H](C)C[NH3+])s1 ZINC000643514852 387599954 /nfs/dbraw/zinc/59/99/54/387599954.db2.gz QLJUEFLPQOXJTH-YUMQZZPRSA-N 2 0 213.350 1.697 20 0 BDADRP CC(C)(C)C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422698644 387615174 /nfs/dbraw/zinc/61/51/74/387615174.db2.gz AIOHEIAXOYBEKY-RWMBFGLXSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CCN(C)C1CCCCC1 ZINC000422700374 387615231 /nfs/dbraw/zinc/61/52/31/387615231.db2.gz GSHXRCQVNBUYOQ-CYBMUJFWSA-N 2 0 241.423 1.968 20 0 BDADRP COC[C@@H](C)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422699781 387616080 /nfs/dbraw/zinc/61/60/80/387616080.db2.gz FFKBMRBVGSSJLW-SRVKXCTJSA-N 2 0 214.353 1.389 20 0 BDADRP CNC(=O)c1cccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c1 ZINC000422702194 387617507 /nfs/dbraw/zinc/61/75/07/387617507.db2.gz KEKWMNFXZKYOTO-WDEREUQCSA-N 2 0 249.358 1.262 20 0 BDADRP C[N@H+](CCN[C@@H]1CCC[C@@H]1[NH3+])C1CCCCC1 ZINC000422703598 387618728 /nfs/dbraw/zinc/61/87/28/387618728.db2.gz NMTQEOQSFSHOFE-UONOGXRCSA-N 2 0 239.407 1.720 20 0 BDADRP C[C@H](Cc1ccsc1)[NH2+]CC1C[NH2+]C1 ZINC000643516037 387619955 /nfs/dbraw/zinc/61/99/55/387619955.db2.gz QZPYZXNXXZVYIY-SECBINFHSA-N 2 0 210.346 1.488 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422706624 387620138 /nfs/dbraw/zinc/62/01/38/387620138.db2.gz FNPZVIMJYIDTGH-UKKRHICBSA-N 2 0 202.342 1.109 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCCOC1)[C@H]1CCC[NH2+]1 ZINC000422710446 387622417 /nfs/dbraw/zinc/62/24/17/387622417.db2.gz FTCKCYZVRBQGLB-GRYCIOLGSA-N 2 0 212.337 1.143 20 0 BDADRP CC[C@H]([NH2+]CC1(C)COC1)[C@@H]1CCC[NH2+]1 ZINC000422709920 387623889 /nfs/dbraw/zinc/62/38/89/387623889.db2.gz LGXPSWUNNRTGEX-QWRGUYRKSA-N 2 0 212.337 1.143 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH+]1C)CC1(O)CCCC1 ZINC000305652674 387624139 /nfs/dbraw/zinc/62/41/39/387624139.db2.gz UXSFOKRVICVSPO-ZDUSSCGKSA-N 2 0 240.391 1.708 20 0 BDADRP CC[N@H+](C)CCNC(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000356223393 387629691 /nfs/dbraw/zinc/62/96/91/387629691.db2.gz NZSPQGJEKAHINY-LLVKDONJSA-N 2 0 243.395 1.221 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CCOC1 ZINC000397150591 387545477 /nfs/dbraw/zinc/54/54/77/387545477.db2.gz LVJCQJXGQUCLKX-JHJVBQTASA-N 2 0 226.364 1.520 20 0 BDADRP C[C@H](CN[C@@H](C)C1C[NH2+]C1)C[NH+]1CCCCC1 ZINC000422716671 387627867 /nfs/dbraw/zinc/62/78/67/387627867.db2.gz UYNQRBPDFCYSIN-OLZOCXBDSA-N 2 0 239.407 1.306 20 0 BDADRP CC[C@@H](NCC[N@H+](C)CC)[C@H]1CCCC[NH2+]1 ZINC000422716809 387627941 /nfs/dbraw/zinc/62/79/41/387627941.db2.gz NXEXZOUMPJPEIV-CHWSQXEVSA-N 2 0 227.396 1.448 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000422717063 387630732 /nfs/dbraw/zinc/63/07/32/387630732.db2.gz OCSLUVQBDHYDED-YNEHKIRRSA-N 2 0 226.364 1.663 20 0 BDADRP C[N@H+](CC[C@H]1CCC[NH+]1C)[C@H](CO)C(C)(C)C ZINC000305704660 387631246 /nfs/dbraw/zinc/63/12/46/387631246.db2.gz XQIIPCANZNQTKP-CHWSQXEVSA-N 2 0 242.407 1.810 20 0 BDADRP CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000422718245 387631456 /nfs/dbraw/zinc/63/14/56/387631456.db2.gz WTQQZBGUQIVYMY-SRVKXCTJSA-N 2 0 216.369 1.501 20 0 BDADRP Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000422721067 387632240 /nfs/dbraw/zinc/63/22/40/387632240.db2.gz UJIJQLXQNNVIIB-GHMZBOCLSA-N 2 0 238.379 1.897 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(N(C)C)c1 ZINC000422721154 387633070 /nfs/dbraw/zinc/63/30/70/387633070.db2.gz UTFNKXSCDTVPAD-NEPJUHHUSA-N 2 0 235.375 1.968 20 0 BDADRP C[C@@H](NC[C@H](C)C[NH+]1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422722345 387634000 /nfs/dbraw/zinc/63/40/00/387634000.db2.gz PEECWFMMPJGNEX-MJBXVCDLSA-N 2 0 239.407 1.448 20 0 BDADRP CC[C@@H](NCC[N@H+](C)CC)[C@@H]1CCC[NH2+]1 ZINC000422723031 387634161 /nfs/dbraw/zinc/63/41/61/387634161.db2.gz ZLBAYJCPPGRCHZ-NEPJUHHUSA-N 2 0 213.369 1.058 20 0 BDADRP C[C@@H]([NH2+]C[C@@]1(C)CCOC1)[C@@H]1CCC[NH2+]1 ZINC000422725078 387636829 /nfs/dbraw/zinc/63/68/29/387636829.db2.gz ALJWLHPLVNZKSY-GRYCIOLGSA-N 2 0 212.337 1.143 20 0 BDADRP CC(C)CC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000422728416 387638451 /nfs/dbraw/zinc/63/84/51/387638451.db2.gz GHLOEUQKDSDJNK-QJPTWQEYSA-N 2 0 214.353 1.374 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1NCCc1ccccn1 ZINC000422733219 387641108 /nfs/dbraw/zinc/64/11/08/387641108.db2.gz QKVZQEYIIXIMLA-YPMHNXCESA-N 2 0 219.332 1.212 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422736089 387642722 /nfs/dbraw/zinc/64/27/22/387642722.db2.gz VTRBJTFETUQOPY-OLZOCXBDSA-N 3 0 241.423 1.694 20 0 BDADRP C[NH2+]CCCNC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000422734223 387644062 /nfs/dbraw/zinc/64/40/62/387644062.db2.gz SLEINZCULAHMRJ-LBPRGKRZSA-N 2 0 241.379 1.010 20 0 BDADRP CCC[C@H]([NH3+])C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000430729111 387644632 /nfs/dbraw/zinc/64/46/32/387644632.db2.gz FGASFDFLWFKKRH-QWRGUYRKSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@@H](NCC[N@H+](C)C1CCCC1)[C@H]1CCC[NH2+]1 ZINC000400754899 387646038 /nfs/dbraw/zinc/64/60/38/387646038.db2.gz WRNTZSLFVBYTOQ-TZMCWYRMSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCc1ccccc1 ZINC000422740591 387648211 /nfs/dbraw/zinc/64/82/11/387648211.db2.gz CBNMVLLNFLRMAR-NWANDNLSSA-N 2 0 248.370 1.571 20 0 BDADRP C[NH+](C)CCCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422741894 387648799 /nfs/dbraw/zinc/64/87/99/387648799.db2.gz FLPLWARPYPZKHG-NWDGAFQWSA-N 2 0 213.369 1.188 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccc2c1OCO2 ZINC000422746365 387650147 /nfs/dbraw/zinc/65/01/47/387650147.db2.gz ZKECSZQSGDRGCC-VHSXEESVSA-N 2 0 236.315 1.631 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000422748163 387652879 /nfs/dbraw/zinc/65/28/79/387652879.db2.gz SHCUHOUMYXMPQV-UBHSHLNASA-N 2 0 234.343 1.529 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1CCCO1 ZINC000422748975 387653682 /nfs/dbraw/zinc/65/36/82/387653682.db2.gz WXQAPKIGNZUZBM-IJLUTSLNSA-N 2 0 212.337 1.143 20 0 BDADRP CSCCCC[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422757374 387661864 /nfs/dbraw/zinc/66/18/64/387661864.db2.gz MQPLYFRCCAJTCV-VHSXEESVSA-N 2 0 202.367 1.599 20 0 BDADRP CC(C)OCCC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422762444 387662289 /nfs/dbraw/zinc/66/22/89/387662289.db2.gz NQMUMZUNQIOCHG-MNOVXSKESA-N 2 0 202.342 1.517 20 0 BDADRP CC(C)[NH+](CCN[C@@H]1CCC[C@H]1[NH3+])C(C)C ZINC000422765988 387664716 /nfs/dbraw/zinc/66/47/16/387664716.db2.gz WUAGWZLRVJGJIQ-CHWSQXEVSA-N 2 0 227.396 1.575 20 0 BDADRP COc1ccccc1CC[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422765113 387665177 /nfs/dbraw/zinc/66/51/77/387665177.db2.gz QFGFMYVMPBMPIT-LLVKDONJSA-N 2 0 234.343 1.435 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422765516 387665256 /nfs/dbraw/zinc/66/52/56/387665256.db2.gz WJAGNYYNFOFBRB-MGPQQGTHSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C)c1cccnc1 ZINC000422764921 387666127 /nfs/dbraw/zinc/66/61/27/387666127.db2.gz OVKBLKXRNAJDOJ-AXFHLTTASA-N 2 0 207.321 1.858 20 0 BDADRP Cc1ccccc1C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422766441 387667806 /nfs/dbraw/zinc/66/78/06/387667806.db2.gz QBMYELYMAIACRM-LLVKDONJSA-N 2 0 204.317 1.693 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCOC1CCCC1 ZINC000422766514 387668677 /nfs/dbraw/zinc/66/86/77/387668677.db2.gz QEMYJKZVBHXPLE-TZMCWYRMSA-N 2 0 240.391 1.923 20 0 BDADRP COC(C)(C)[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000305947044 387668692 /nfs/dbraw/zinc/66/86/92/387668692.db2.gz GVJZDFHBGNTDQC-VXGBXAGGSA-N 2 0 240.391 1.874 20 0 BDADRP CC[NH+]1CCC(CC[NH2+][C@H](C)C2C[NH2+]C2)CC1 ZINC000422776331 387673485 /nfs/dbraw/zinc/67/34/85/387673485.db2.gz ACTLHWCZUSMLGM-GFCCVEGCSA-N 3 0 239.407 1.306 20 0 BDADRP Cc1ccccc1O[C@H](C)C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422778601 387674251 /nfs/dbraw/zinc/67/42/51/387674251.db2.gz AUYJLPKKPLGBMG-OLZOCXBDSA-N 2 0 248.370 1.960 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)N[C@@H](C)CC[NH+](C)C ZINC000422776811 387674421 /nfs/dbraw/zinc/67/44/21/387674421.db2.gz DNSJMXKAYJZDHF-DCAQKATOSA-N 2 0 201.358 1.042 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)C2C[NH2+]C2)C12CCC2 ZINC000422780024 387677524 /nfs/dbraw/zinc/67/75/24/387677524.db2.gz JQUWIKLDBGNAIU-KGYLQXTDSA-N 2 0 238.375 1.532 20 0 BDADRP C[C@H](CN[C@@H](C)C[C@H](C)[NH3+])[NH+]1CCC(C)CC1 ZINC000422780237 387678646 /nfs/dbraw/zinc/67/86/46/387678646.db2.gz JFHOHHWVJGYWCT-MELADBBJSA-N 2 0 241.423 1.822 20 0 BDADRP Cc1ccc(O[C@@H](C)C[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000422779593 387678840 /nfs/dbraw/zinc/67/88/40/387678840.db2.gz CEBXQNQLSANPSJ-QWHCGFSZSA-N 2 0 248.370 1.960 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2CC[NH2+]CC[C@H]2C)CC[N@@H+]1C ZINC000422778628 387679277 /nfs/dbraw/zinc/67/92/77/387679277.db2.gz HMDNJIJWQIBBRE-SYQHCUMBSA-N 2 0 239.407 1.447 20 0 BDADRP COC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]C1)C(C)C ZINC000422781693 387681111 /nfs/dbraw/zinc/68/11/11/387681111.db2.gz MILHXGWNGFLXJQ-AGIUHOORSA-N 2 0 228.380 1.635 20 0 BDADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000422785700 387684441 /nfs/dbraw/zinc/68/44/41/387684441.db2.gz NWYDRKXUSNFPLD-OLZOCXBDSA-N 3 0 241.423 1.824 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000422783238 387684542 /nfs/dbraw/zinc/68/45/42/387684542.db2.gz NWSCSZMDDAZADP-NWBUJAPZSA-N 2 0 240.391 1.905 20 0 BDADRP CC[NH+]1CCC(CC[NH2+][C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000422785699 387684915 /nfs/dbraw/zinc/68/49/15/387684915.db2.gz NWYDRKXUSNFPLD-CHWSQXEVSA-N 3 0 241.423 1.824 20 0 BDADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)CCC[NH3+])CC1 ZINC000422787761 387686144 /nfs/dbraw/zinc/68/61/44/387686144.db2.gz QIOSTOLVTTTXHX-ZDUSSCGKSA-N 3 0 241.423 1.825 20 0 BDADRP O[C@@H]1CCCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422786762 387686269 /nfs/dbraw/zinc/68/62/69/387686269.db2.gz QQZJEJWYXIJEDV-SYCZCVCYSA-N 2 0 238.375 1.410 20 0 BDADRP C[C@H](CN[C@H]1CCCCC[C@H]1[NH3+])[N@H+](C)C1CC1 ZINC000422743903 387689920 /nfs/dbraw/zinc/68/99/20/387689920.db2.gz SDDZISNOVSUJHI-BNOWGMLFSA-N 2 0 239.407 1.719 20 0 BDADRP CC[C@H](NC[C@H](C)[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000422743535 387690643 /nfs/dbraw/zinc/69/06/43/387690643.db2.gz RQRNQHIFNPKYEI-SRVKXCTJSA-N 2 0 213.369 1.057 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NCCC[NH+]1CCCCC1 ZINC000422791342 387692818 /nfs/dbraw/zinc/69/28/18/387692818.db2.gz UVKRDNVKSVLHNS-STQMWFEESA-N 2 0 227.396 1.578 20 0 BDADRP C[C@@H]1[C@@H](C)[N@H+](C)CCN1CC[C@@H]1CCC[NH+]1C ZINC000356968006 387756166 /nfs/dbraw/zinc/75/61/66/387756166.db2.gz AUUAIVGEVCUQSH-MCIONIFRSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H]1CCC[N@H+](CCN[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000422864850 387747197 /nfs/dbraw/zinc/74/71/97/387747197.db2.gz WMCXWQYLFNHDIO-MGPQQGTHSA-N 2 0 239.407 1.306 20 0 BDADRP COc1ccc(CC[C@H](C)[NH2+]C[C@H](C)[NH3+])cc1 ZINC000643526250 387748723 /nfs/dbraw/zinc/74/87/23/387748723.db2.gz WDKDUQJFKYKHDV-RYUDHWBXSA-N 2 0 236.359 1.953 20 0 BDADRP C[C@@H]([NH3+])C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000643526187 387748739 /nfs/dbraw/zinc/74/87/39/387748739.db2.gz SERSRVNBLGIYGY-ZWNOBZJWSA-N 2 0 204.317 1.481 20 0 BDADRP C[C@@H](C[C@H]1CCCO1)[NH2+]C1CCC([NH3+])CC1 ZINC000422899306 387748776 /nfs/dbraw/zinc/74/87/76/387748776.db2.gz HDAASZXDNIZTIH-YWPUVAFDSA-N 2 0 226.364 1.804 20 0 BDADRP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000422899164 387749220 /nfs/dbraw/zinc/74/92/20/387749220.db2.gz GVSNLMOBLCZDRF-UPJWGTAASA-N 2 0 226.364 1.676 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422868173 387749830 /nfs/dbraw/zinc/74/98/30/387749830.db2.gz UNGZQNWPYMNSAN-YNEHKIRRSA-N 2 0 228.380 1.373 20 0 BDADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H](C)[NH3+])c1 ZINC000643526321 387750071 /nfs/dbraw/zinc/75/00/71/387750071.db2.gz ZGYGTQRNTYSSMT-VXGBXAGGSA-N 2 0 249.358 1.649 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000422868274 387750382 /nfs/dbraw/zinc/75/03/82/387750382.db2.gz UTCMOWBVFJMMON-AGIUHOORSA-N 2 0 227.396 1.434 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)CCCO)[C@@H]1CCCC[NH2+]1 ZINC000422878429 387754005 /nfs/dbraw/zinc/75/40/05/387754005.db2.gz SZFQEZXVJQQKNT-TUAOUCFPSA-N 2 0 214.353 1.268 20 0 BDADRP CCCC[NH+]1CCC(N[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000422795207 387696891 /nfs/dbraw/zinc/69/68/91/387696891.db2.gz ZZBCWBREBHPSPI-OLZOCXBDSA-N 2 0 241.423 1.966 20 0 BDADRP CO[C@@H](C[NH2+][C@@H](C)C1C[NH2+]C1)C(C)(C)C ZINC000422806313 387705666 /nfs/dbraw/zinc/70/56/66/387705666.db2.gz HXZHHNAMTWPABU-ONGXEEELSA-N 2 0 214.353 1.245 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](OC)C(C)(C)C ZINC000422811277 387708130 /nfs/dbraw/zinc/70/81/30/387708130.db2.gz OWVLHTJHKSVOFL-VXGBXAGGSA-N 2 0 246.395 1.391 20 0 BDADRP C[NH+](C)Cc1cccc(C[NH2+]C2CC[NH2+]CC2)c1 ZINC000422809480 387709408 /nfs/dbraw/zinc/70/94/08/387709408.db2.gz PXBLDGDETZUXTQ-UHFFFAOYSA-N 3 0 247.386 1.590 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)C1CC[NH+](C)CC1 ZINC000643521300 387709961 /nfs/dbraw/zinc/70/99/61/387709961.db2.gz NNWPZPKJRDWWHB-GXTWGEPZSA-N 3 0 239.407 1.448 20 0 BDADRP CCC(CC)(CCO)C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422813076 387712139 /nfs/dbraw/zinc/71/21/39/387712139.db2.gz RKBFOGPGALYIJU-RYUDHWBXSA-N 2 0 230.396 1.891 20 0 BDADRP CCOCc1ccccc1C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422813037 387712256 /nfs/dbraw/zinc/71/22/56/387712256.db2.gz XGTPEOWQVQASCV-GFCCVEGCSA-N 2 0 248.370 1.921 20 0 BDADRP CC(C)C[C@@H](CN[C@H](C)C1C[NH2+]C1)[NH+](C)C ZINC000422817387 387713952 /nfs/dbraw/zinc/71/39/52/387713952.db2.gz HMQFPQWNXHZHQT-YPMHNXCESA-N 2 0 227.396 1.160 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1NCC[NH+]1CCCCC1 ZINC000422814781 387714377 /nfs/dbraw/zinc/71/43/77/387714377.db2.gz WBMPQYICCJVQIP-KGLIPLIRSA-N 2 0 239.407 1.722 20 0 BDADRP CCC(CC)(CCO)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422816387 387715691 /nfs/dbraw/zinc/71/56/91/387715691.db2.gz ZVHXIZLRKCJXPE-QWHCGFSZSA-N 2 0 242.407 1.905 20 0 BDADRP CCC[N@H+](CC)CCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000422828114 387724283 /nfs/dbraw/zinc/72/42/83/387724283.db2.gz SVVDCGCXIUNUDV-KBPBESRZSA-N 2 0 241.423 1.968 20 0 BDADRP C[C@H](N[C@@H]1CCC[NH2+]CC1)[C@@H]1CCCC[NH2+]1 ZINC000643523072 387724309 /nfs/dbraw/zinc/72/43/09/387724309.db2.gz UXUCXIAEXMBRQL-XQQFMLRXSA-N 2 0 225.380 1.249 20 0 BDADRP COC[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)C1CCCC1 ZINC000643523201 387725322 /nfs/dbraw/zinc/72/53/22/387725322.db2.gz XLTYNTNXPSOLHH-UONOGXRCSA-N 2 0 240.391 1.923 20 0 BDADRP CC[C@@H]([NH2+]CCCCCOC)[C@@H]1CCC[NH2+]1 ZINC000422831626 387726995 /nfs/dbraw/zinc/72/69/95/387726995.db2.gz WYVYREIXRLBWQF-OLZOCXBDSA-N 2 0 228.380 1.923 20 0 BDADRP C[C@H](N[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1C[NH2+]C1 ZINC000422839179 387727539 /nfs/dbraw/zinc/72/75/39/387727539.db2.gz PTZGXFFVCPSOSJ-CYZMBNFOSA-N 2 0 225.380 1.057 20 0 BDADRP COC1CCC(C[NH2+][C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000422836943 387728114 /nfs/dbraw/zinc/72/81/14/387728114.db2.gz LAPIXOROGSYFQF-YIOUJQMASA-N 2 0 240.391 1.909 20 0 BDADRP C[C@H]([NH2+]CCc1cc(F)cc(F)c1)C1C[NH2+]C1 ZINC000422841244 387730876 /nfs/dbraw/zinc/73/08/76/387730876.db2.gz CSKFCVFODKMTQN-VIFPVBQESA-N 2 0 240.297 1.705 20 0 BDADRP c1cn(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000128004483 387731182 /nfs/dbraw/zinc/73/11/82/387731182.db2.gz ORZJBZHPQSLSCB-QWHCGFSZSA-N 2 0 234.347 1.100 20 0 BDADRP c1cn(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000128004254 387731591 /nfs/dbraw/zinc/73/15/91/387731591.db2.gz ORZJBZHPQSLSCB-CHWSQXEVSA-N 2 0 234.347 1.100 20 0 BDADRP CC[N@H+](CCN[C@H]1CCC[C@H]1C[NH3+])C(C)C ZINC000422877495 387756589 /nfs/dbraw/zinc/75/65/89/387756589.db2.gz HXLJNHGOSDBEBA-STQMWFEESA-N 2 0 227.396 1.434 20 0 BDADRP CC(C)[N@H+](C)CCN[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000128029394 387735875 /nfs/dbraw/zinc/73/58/75/387735875.db2.gz HHZSKLWNHDFVEZ-ZIAGYGMSSA-N 2 0 239.407 1.543 20 0 BDADRP C[C@@H](CCCO)[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422878427 387755963 /nfs/dbraw/zinc/75/59/63/387755963.db2.gz SZFQEZXVJQQKNT-SRVKXCTJSA-N 2 0 214.353 1.268 20 0 BDADRP C1C[C@H]2CC(N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)C[C@@H]1[NH2+]2 ZINC000422879741 387756065 /nfs/dbraw/zinc/75/60/65/387756065.db2.gz KYBZLSBMZUZCPZ-WQGXVZNYSA-N 2 0 249.402 1.486 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CCN1CCCC[C@H]1C ZINC000422857091 387739889 /nfs/dbraw/zinc/73/98/89/387739889.db2.gz GVRAIVKLXSUIBY-QWHCGFSZSA-N 2 0 227.396 1.578 20 0 BDADRP C[C@@H]1CCCC[N@@H+]1CCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000422859041 387740259 /nfs/dbraw/zinc/74/02/59/387740259.db2.gz JLZZOSQWQXNHBM-MCIONIFRSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@@H]1CCC[N@H+](CCN[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000422857806 387740680 /nfs/dbraw/zinc/74/06/80/387740680.db2.gz HXYWABPUPVJNIJ-FRRDWIJNSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@H](CCc1ccco1)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422961936 387811830 /nfs/dbraw/zinc/81/18/30/387811830.db2.gz DJYZAFODYIEFNC-QWRGUYRKSA-N 2 0 222.332 1.798 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)[NH3+])C12CCCC2 ZINC000643527158 387764332 /nfs/dbraw/zinc/76/43/32/387764332.db2.gz KFVSNHAONOYAKJ-GRYCIOLGSA-N 2 0 226.364 1.661 20 0 BDADRP CCC1(CC)[C@H]([NH2+]C[C@H](C)[NH3+])C[C@@H]1OC ZINC000643527507 387764844 /nfs/dbraw/zinc/76/48/44/387764844.db2.gz NTPHGAGCTSAXLZ-AXFHLTTASA-N 2 0 214.353 1.517 20 0 BDADRP Cc1ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cn1 ZINC000422904416 387767552 /nfs/dbraw/zinc/76/75/52/387767552.db2.gz XKJNFFXXYVPFIQ-GXSJLCMTSA-N 2 0 207.321 1.605 20 0 BDADRP CC[C@@H](C)[N@H+](C)CCN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000422904254 387767561 /nfs/dbraw/zinc/76/75/61/387767561.db2.gz GNCBGPRXOGLXKM-JHJVBQTASA-N 2 0 227.396 1.447 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1CCOC1)[C@@H]1CCC[NH2+]1 ZINC000422904106 387767836 /nfs/dbraw/zinc/76/78/36/387767836.db2.gz WZRDWYUNYZHBDX-WOPDTQHZSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H]([NH3+])CN[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000643528921 387772262 /nfs/dbraw/zinc/77/22/62/387772262.db2.gz QVJVRDCYEFOLPG-IPYPFGDCSA-N 2 0 247.386 1.444 20 0 BDADRP Cc1cccc(NCC[NH2+][C@@H](C)C[C@@H](C)[NH3+])n1 ZINC000422917481 387772819 /nfs/dbraw/zinc/77/28/19/387772819.db2.gz FASDECYBRFAHMX-PWSUYJOCSA-N 2 0 236.363 1.517 20 0 BDADRP CC[C@@H]([NH2+]CCC[C@@H](O)CC)[C@@H]1CCC[NH2+]1 ZINC000422915504 387773996 /nfs/dbraw/zinc/77/39/96/387773996.db2.gz BCLOYMSLWBPCJC-XQQFMLRXSA-N 2 0 228.380 1.658 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000422919081 387776380 /nfs/dbraw/zinc/77/63/80/387776380.db2.gz JCVKUIVSMMOBGV-GARJFASQSA-N 2 0 241.379 1.101 20 0 BDADRP C[C@@H]([NH3+])C[NH2+][C@H]1CCCc2ccccc2C1 ZINC000643529676 387776652 /nfs/dbraw/zinc/77/66/52/387776652.db2.gz LPWGKVHBZXPBJV-RISCZKNCSA-N 2 0 218.344 1.871 20 0 BDADRP C[C@H]([NH3+])CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000643529637 387776845 /nfs/dbraw/zinc/77/68/45/387776845.db2.gz IETRNXOEBDIVGT-UMSGYPCISA-N 2 0 225.380 1.234 20 0 BDADRP CC[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)[C@@H]1CCC[NH2+]1 ZINC000422925697 387779558 /nfs/dbraw/zinc/77/95/58/387779558.db2.gz BLCBKQVFTXZLOZ-BZPMIXESSA-N 2 0 248.374 1.387 20 0 BDADRP Cc1cccc(OCC[NH2+][C@H](C)C2C[NH2+]C2)c1 ZINC000422927091 387780131 /nfs/dbraw/zinc/78/01/31/387780131.db2.gz FKWUJSRBHMYSMG-GFCCVEGCSA-N 2 0 234.343 1.571 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422926350 387780517 /nfs/dbraw/zinc/78/05/17/387780517.db2.gz WNIOBPKSTWNCAH-AVGNSLFASA-N 2 0 228.380 1.787 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCOCC(F)(F)F ZINC000422931557 387780916 /nfs/dbraw/zinc/78/09/16/387780916.db2.gz XUOCWPFABBTSIQ-SFYZADRCSA-N 2 0 228.258 1.281 20 0 BDADRP CCCC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])CC1 ZINC000422932516 387781496 /nfs/dbraw/zinc/78/14/96/387781496.db2.gz ZITDCBXMLWGBHF-YNEHKIRRSA-N 2 0 240.391 1.909 20 0 BDADRP CCC1(CC)[C@H]([NH2+][C@@H](C)C2C[NH2+]C2)C[C@H]1OC ZINC000422938008 387783022 /nfs/dbraw/zinc/78/30/22/387783022.db2.gz KLXGQNUEUPTVQU-CYZMBNFOSA-N 2 0 240.391 1.778 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422901116 387785163 /nfs/dbraw/zinc/78/51/63/387785163.db2.gz BPTVCWJSMAWKDS-MELADBBJSA-N 2 0 241.423 1.694 20 0 BDADRP Cc1cc(C)cc(OCC[NH2+][C@@H](C)C2C[NH2+]C2)c1 ZINC000422945303 387785967 /nfs/dbraw/zinc/78/59/67/387785967.db2.gz NLFBTCQUUABWDZ-ZDUSSCGKSA-N 2 0 248.370 1.880 20 0 BDADRP CO[C@H](C)CC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422901980 387787114 /nfs/dbraw/zinc/78/71/14/387787114.db2.gz MBGAJKXEGFLKDM-IJLUTSLNSA-N 2 0 214.353 1.661 20 0 BDADRP C[C@H](C[C@@H]1CCCO1)[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000422902244 387787185 /nfs/dbraw/zinc/78/71/85/387787185.db2.gz MKTPOVNBWCGSMQ-NDBYEHHHSA-N 2 0 226.364 1.532 20 0 BDADRP CCOCC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422902167 387787371 /nfs/dbraw/zinc/78/73/71/387787371.db2.gz TXNAAWZBKFVTDT-MNOVXSKESA-N 2 0 200.326 1.001 20 0 BDADRP CC1CC([NH2+]CCCN2CCCO[C@@H](C)C2)C1 ZINC000432424064 387789093 /nfs/dbraw/zinc/78/90/93/387789093.db2.gz MSICSWTYUWBZFQ-MOKVOYLWSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCSCCCO ZINC000422981247 387790816 /nfs/dbraw/zinc/79/08/16/387790816.db2.gz SJNBOTRAXCGDLB-VXGBXAGGSA-N 2 0 246.420 1.080 20 0 BDADRP CC[C@@H]([NH2+][C@@H](CC)CCO)[C@@H]1CCC[NH2+]1 ZINC000422981455 387791736 /nfs/dbraw/zinc/79/17/36/387791736.db2.gz SWQAMIMXFKHZBL-TUAOUCFPSA-N 2 0 214.353 1.268 20 0 BDADRP CCC[C@](C)(O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422979929 387792307 /nfs/dbraw/zinc/79/23/07/387792307.db2.gz NWODOTDTLBAIEK-HNGCFSAESA-N 2 0 226.364 1.410 20 0 BDADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1(O)CCC1 ZINC000422982741 387793776 /nfs/dbraw/zinc/79/37/76/387793776.db2.gz XUAAHEKXQDVHQP-GXTWGEPZSA-N 2 0 248.370 1.450 20 0 BDADRP CC(C)CC[C@](C)(O)C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422983454 387793985 /nfs/dbraw/zinc/79/39/85/387793985.db2.gz ZOIOBLINXACGRI-XQQFMLRXSA-N 2 0 230.396 1.889 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC1CC[NH+](C(C)(C)C)CC1 ZINC000422986781 387795664 /nfs/dbraw/zinc/79/56/64/387795664.db2.gz HIDZAGVAWDWGBS-RYUDHWBXSA-N 2 0 241.423 1.965 20 0 BDADRP OCCC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000157449453 387796086 /nfs/dbraw/zinc/79/60/86/387796086.db2.gz RDLVTIBAYQNYFY-STQMWFEESA-N 2 0 238.375 1.365 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC23CC(C2)CO3)[C@H](C)C1 ZINC000527978968 387796846 /nfs/dbraw/zinc/79/68/46/387796846.db2.gz LZQYCCIRVAFWSA-ZIHBUVQPSA-N 2 0 238.375 1.485 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC(C)(C)CCCO ZINC000422989459 387797356 /nfs/dbraw/zinc/79/73/56/387797356.db2.gz LWGSGAPOYPQTGE-OLZOCXBDSA-N 2 0 242.407 1.763 20 0 BDADRP CC[C@@H](C[C@H](C)CO)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422989306 387797918 /nfs/dbraw/zinc/79/79/18/387797918.db2.gz AVRMMBBQTQFQQL-AHPWVWPOSA-N 2 0 242.407 1.891 20 0 BDADRP CC[C@@H](C[C@@H](C)CO)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422989309 387798482 /nfs/dbraw/zinc/79/84/82/387798482.db2.gz AVRMMBBQTQFQQL-ZIHBUVQPSA-N 2 0 242.407 1.891 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCOc1ncccc1F ZINC000422992979 387799321 /nfs/dbraw/zinc/79/93/21/387799321.db2.gz DQWARZQNWQHSEY-VHSXEESVSA-N 2 0 241.310 1.315 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H](CO)c1ccccc1 ZINC000422990083 387800158 /nfs/dbraw/zinc/80/01/58/387800158.db2.gz BMLJZXDLNDJQGA-OUCADQQQSA-N 2 0 236.359 1.478 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2[NH3+])CCO1 ZINC000422990185 387800611 /nfs/dbraw/zinc/80/06/11/387800611.db2.gz NCMPCFDAVOQHOA-NDBYEHHHSA-N 2 0 226.364 1.659 20 0 BDADRP CCOc1cccc(CC[NH2+]C2CC[NH2+]CC2)c1 ZINC000422993316 387801914 /nfs/dbraw/zinc/80/19/14/387801914.db2.gz FLGSKQWIKLVPDW-UHFFFAOYSA-N 2 0 248.370 1.969 20 0 BDADRP COc1cccc(CC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000423001247 387804075 /nfs/dbraw/zinc/80/40/75/387804075.db2.gz DIRYEWOYXIIZGY-DGCLKSJQSA-N 2 0 249.358 1.350 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422998011 387804146 /nfs/dbraw/zinc/80/41/46/387804146.db2.gz VYIDRRVIRZWOHF-MQYQWHSLSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC(C)(C)CCCO ZINC000422999798 387805750 /nfs/dbraw/zinc/80/57/50/387805750.db2.gz YLGKIUNACRPLDV-GHMZBOCLSA-N 2 0 216.369 1.501 20 0 BDADRP C[C@H]([NH2+][C@@H](CCO)C1CCCCC1)C1C[NH2+]C1 ZINC000423001532 387805947 /nfs/dbraw/zinc/80/59/47/387805947.db2.gz DVHOBCQRAGWRFQ-FZMZJTMJSA-N 2 0 240.391 1.515 20 0 BDADRP C[C@@H](CCO)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423001186 387805996 /nfs/dbraw/zinc/80/59/96/387805996.db2.gz DDWRETFWZNALNQ-SRVKXCTJSA-N 2 0 214.353 1.125 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCc1c[nH]c2ncccc12 ZINC000423002479 387807071 /nfs/dbraw/zinc/80/70/71/387807071.db2.gz JJGLJWVPFKGBMD-QWRGUYRKSA-N 2 0 246.358 1.821 20 0 BDADRP CCN(CC)C(=O)CCC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422954869 387809557 /nfs/dbraw/zinc/80/95/57/387809557.db2.gz IIIQXQVPTLQZHI-NWDGAFQWSA-N 2 0 243.395 1.350 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)C(=O)N1CCCCC1 ZINC000422957303 387810201 /nfs/dbraw/zinc/81/02/01/387810201.db2.gz NDTWFRSYXLHWHS-SRVKXCTJSA-N 2 0 241.379 1.103 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)CCc1ccco1)C1C[NH2+]C1 ZINC000422961937 387810862 /nfs/dbraw/zinc/81/08/62/387810862.db2.gz DJYZAFODYIEFNC-WDEREUQCSA-N 2 0 222.332 1.798 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422882297 387757492 /nfs/dbraw/zinc/75/74/92/387757492.db2.gz ZWPKZVNPPSAFJH-IPNSXDPFSA-N 2 0 249.402 1.342 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000422880751 387758499 /nfs/dbraw/zinc/75/84/99/387758499.db2.gz MPRPYXMGHDRKQI-ZDEQEGDKSA-N 2 0 225.380 1.329 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)[C@@H]1CCC[NH2+]1 ZINC000422887637 387760373 /nfs/dbraw/zinc/76/03/73/387760373.db2.gz LDBZJGHUGZUBTD-VJTDZRGJSA-N 2 0 238.375 1.674 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCOCC1CC1 ZINC000422888311 387760670 /nfs/dbraw/zinc/76/06/70/387760670.db2.gz MOCGFPYGUVJNAI-UWVGGRQHSA-N 2 0 200.326 1.128 20 0 BDADRP CC(C)[NH2+]CCC[NH2+][C@H](C)[C@H]1CCCO1 ZINC000564074291 387820368 /nfs/dbraw/zinc/82/03/68/387820368.db2.gz RQDYPUSQSAGJBG-VXGBXAGGSA-N 2 0 214.353 1.532 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422972618 387821513 /nfs/dbraw/zinc/82/15/13/387821513.db2.gz AATUPBSKVCDZBU-AXFHLTTASA-N 2 0 200.326 1.007 20 0 BDADRP CC(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CCC[NH3+] ZINC000422972135 387821945 /nfs/dbraw/zinc/82/19/45/387821945.db2.gz ZPIZYDPVXHGWIN-AGIUHOORSA-N 2 0 228.380 1.765 20 0 BDADRP C[C@@H](C[NH2+][C@@H](C)C1C[NH2+]C1)Oc1ccccc1 ZINC000422975216 387823585 /nfs/dbraw/zinc/82/35/85/387823585.db2.gz BKAGITYMTCAHBK-RYUDHWBXSA-N 2 0 234.343 1.651 20 0 BDADRP CC(C)[C@@](C)(O)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422973988 387823752 /nfs/dbraw/zinc/82/37/52/387823752.db2.gz DCICHXCPOGYOEY-BPCQOVAHSA-N 2 0 228.380 1.501 20 0 BDADRP CCC[C@@H](CCO)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423005210 387828448 /nfs/dbraw/zinc/82/84/48/387828448.db2.gz LVRGVUPQFUATLO-AVGNSLFASA-N 2 0 228.380 1.515 20 0 BDADRP CCC[C@@H](CCO)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423005212 387828519 /nfs/dbraw/zinc/82/85/19/387828519.db2.gz LVRGVUPQFUATLO-RWMBFGLXSA-N 2 0 228.380 1.515 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCc1c[nH]c2ncccc12 ZINC000423005605 387829673 /nfs/dbraw/zinc/82/96/73/387829673.db2.gz SKYLTZIALDKPDY-OLZOCXBDSA-N 2 0 244.342 1.575 20 0 BDADRP CC(C)CSCCC[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000423009009 387830626 /nfs/dbraw/zinc/83/06/26/387830626.db2.gz BNPCFRFKONBQJW-NSHDSACASA-N 2 0 230.421 1.963 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](CO)c1ccccc1 ZINC000423008675 387830709 /nfs/dbraw/zinc/83/07/09/387830709.db2.gz TZHRJEJEEVCZLD-ZNMIVQPWSA-N 2 0 248.370 1.480 20 0 BDADRP CCC[C@@H](CCO)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000423007779 387831582 /nfs/dbraw/zinc/83/15/82/387831582.db2.gz RPALUIZEYGIYJX-MOKVOYLWSA-N 2 0 242.407 1.892 20 0 BDADRP C[C@](O)(C[NH2+][C@@H]1CCC[C@H]1C[NH3+])C(F)(F)F ZINC000423011337 387833117 /nfs/dbraw/zinc/83/31/17/387833117.db2.gz IQIOMKMACSITBD-YIZRAAEISA-N 2 0 240.269 1.017 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCNc1ccccn1 ZINC000423009633 387833131 /nfs/dbraw/zinc/83/31/31/387833131.db2.gz WBYIAJVCMMKAHR-NEPJUHHUSA-N 2 0 234.347 1.211 20 0 BDADRP CC(C)[C@@H](O)C1(C[NH2+][C@H](C)CCC[NH3+])CC1 ZINC000423011851 387833564 /nfs/dbraw/zinc/83/35/64/387833564.db2.gz BQMJMGGNZOIKIG-VXGBXAGGSA-N 2 0 228.380 1.501 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCN(C)c1ccccc1 ZINC000442765896 387834823 /nfs/dbraw/zinc/83/48/23/387834823.db2.gz KATQLMUJOFGHAI-ZIAGYGMSSA-N 2 0 247.386 1.792 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000423013346 387835636 /nfs/dbraw/zinc/83/56/36/387835636.db2.gz MQVMORXUNZLODG-XQQFMLRXSA-N 2 0 228.380 1.373 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1CCC[C@@H]1OC)[C@@H]1CCC[NH2+]1 ZINC000423012873 387836228 /nfs/dbraw/zinc/83/62/28/387836228.db2.gz DWKSGXCJXDHVCK-RFGFWPKPSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]([NH2+]CCSCC(F)(F)F)C1C[NH2+]C1 ZINC000423013183 387836725 /nfs/dbraw/zinc/83/67/25/387836725.db2.gz FJQNPMMZCUFMTG-SSDOTTSWSA-N 2 0 242.310 1.479 20 0 BDADRP CO[C@@H]1CCC[C@H]1C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423013154 387836813 /nfs/dbraw/zinc/83/68/13/387836813.db2.gz FFENVEBAYRSRKQ-ZOBORPQBSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H](CCO)C1(C[NH2+][C@@H](C)CCC[NH3+])CCC1 ZINC000423014797 387838090 /nfs/dbraw/zinc/83/80/90/387838090.db2.gz JKDUKDZAICHDNA-OLZOCXBDSA-N 2 0 242.407 1.892 20 0 BDADRP Cc1cncc(C[NH2+][C@H](C)CCC[NH3+])c1 ZINC000423015278 387839110 /nfs/dbraw/zinc/83/91/10/387839110.db2.gz QQCMMGRYFNZKFL-LLVKDONJSA-N 2 0 207.321 1.607 20 0 BDADRP CCOC1CC(CC[NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000423075653 387873563 /nfs/dbraw/zinc/87/35/63/387873563.db2.gz XINXIGMGFRDVIR-GNRIBBGQSA-N 2 0 240.391 1.909 20 0 BDADRP CC[C@H](CSC)[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000423018492 387841274 /nfs/dbraw/zinc/84/12/74/387841274.db2.gz RFIXSBRTTJGAIV-KXUCPTDWSA-N 2 0 204.383 1.843 20 0 BDADRP CN(C)c1cccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000423017021 387841478 /nfs/dbraw/zinc/84/14/78/387841478.db2.gz VGHXZAWHLRIZJO-YPMHNXCESA-N 2 0 248.374 1.365 20 0 BDADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000423018727 387841989 /nfs/dbraw/zinc/84/19/89/387841989.db2.gz RZLZJCGRXWLNDJ-YIYPIFLZSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NCC[C@@H](C)[NH+]1CCCCC1 ZINC000423026832 387844554 /nfs/dbraw/zinc/84/45/54/387844554.db2.gz CEBJZNVAWUKFTC-BFHYXJOUSA-N 2 0 241.423 1.966 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CC[C@@H]1CCO[C@H](C)C1 ZINC000423031483 387845340 /nfs/dbraw/zinc/84/53/40/387845340.db2.gz LAGDMFMWCZJYJI-JHJVBQTASA-N 2 0 228.380 1.909 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CCOC1)[C@@H]1CCCC[NH2+]1 ZINC000423030930 387847349 /nfs/dbraw/zinc/84/73/49/387847349.db2.gz KISCTQCXYBDGDA-AGIUHOORSA-N 2 0 226.364 1.533 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)C[C@H](C)O)[C@@H]1CCC[NH2+]1 ZINC000423037516 387850457 /nfs/dbraw/zinc/85/04/57/387850457.db2.gz WDVPKKQCRSXAGJ-BJDJZHNGSA-N 2 0 214.353 1.266 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000423036465 387851538 /nfs/dbraw/zinc/85/15/38/387851538.db2.gz UBNAFXKIAGYCOT-RHYQMDGZSA-N 2 0 214.353 1.124 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC[C@H]1CCOC1 ZINC000423035493 387851868 /nfs/dbraw/zinc/85/18/68/387851868.db2.gz RNDPAUFHRSPZLH-YNEHKIRRSA-N 2 0 226.364 1.663 20 0 BDADRP CC(C)OCC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000423040698 387852616 /nfs/dbraw/zinc/85/26/16/387852616.db2.gz UUDMZGIOCMPYCP-VXGBXAGGSA-N 2 0 214.353 1.661 20 0 BDADRP COCCC(C)(C)C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423038243 387852694 /nfs/dbraw/zinc/85/26/94/387852694.db2.gz ODGQFBPCZNYXMQ-GHMZBOCLSA-N 2 0 216.369 1.765 20 0 BDADRP CC1=CCN(CC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000423038786 387852731 /nfs/dbraw/zinc/85/27/31/387852731.db2.gz PBBBXXDNXYUSAK-ZIAGYGMSSA-N 2 0 237.391 1.355 20 0 BDADRP Cn1ccc(CC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])n1 ZINC000423040331 387853612 /nfs/dbraw/zinc/85/36/12/387853612.db2.gz TXBDLDNHEMUURM-QWHCGFSZSA-N 2 0 236.363 1.212 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NCC[N@@H+]1CCCC(C)(C)C1 ZINC000423073290 387874176 /nfs/dbraw/zinc/87/41/76/387874176.db2.gz ILRJBRDONHMLGS-QWHCGFSZSA-N 2 0 241.423 1.824 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)[C@H]1CCCO1 ZINC000643535390 387855852 /nfs/dbraw/zinc/85/58/52/387855852.db2.gz LOOFSFZOZPOSMK-QJPTWQEYSA-N 2 0 224.348 1.286 20 0 BDADRP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)[C@@H]1CCCOC1 ZINC000423042938 387856182 /nfs/dbraw/zinc/85/61/82/387856182.db2.gz MRHVPRYWTLEVHJ-RJZJGCCBSA-N 2 0 240.391 1.909 20 0 BDADRP CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H](C)C2C[NH2+]C2)C1(C)C ZINC000423051320 387860227 /nfs/dbraw/zinc/86/02/27/387860227.db2.gz NPDLLDHTEUTLDP-CYZMBNFOSA-N 2 0 240.391 1.776 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000423051947 387860340 /nfs/dbraw/zinc/86/03/40/387860340.db2.gz PKBARQAKYJEDQQ-GHYVTOPFSA-N 2 0 238.375 1.674 20 0 BDADRP CC[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cnn(C)c1 ZINC000643535053 387861436 /nfs/dbraw/zinc/86/14/36/387861436.db2.gz IIIWZNNVLWEKTH-CHWSQXEVSA-N 2 0 248.374 1.603 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC1(CO)CCCC1 ZINC000423057595 387863597 /nfs/dbraw/zinc/86/35/97/387863597.db2.gz ZRBHUZOHJKMCGK-GHMZBOCLSA-N 2 0 214.353 1.255 20 0 BDADRP C[NH+](C)C1(CN[C@@H]2CCCCC[C@H]2[NH3+])CCC1 ZINC000423059073 387864121 /nfs/dbraw/zinc/86/41/21/387864121.db2.gz KZKYYYBPETXQRN-CHWSQXEVSA-N 2 0 239.407 1.720 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)[C@@H]1CCCC[NH2+]1 ZINC000423060341 387865026 /nfs/dbraw/zinc/86/50/26/387865026.db2.gz HVOLBTJFLHMPTI-CRWXNKLISA-N 2 0 240.391 1.658 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@@H]2CCC[C@@H]2CCO)CC1 ZINC000423061231 387865039 /nfs/dbraw/zinc/86/50/39/387865039.db2.gz KGXJMODDLNPACH-FKZOYECMSA-N 2 0 240.391 1.645 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@H]1CCO)[C@@H]1CCC[NH2+]1 ZINC000423059435 387865572 /nfs/dbraw/zinc/86/55/72/387865572.db2.gz FSMFAUAJNUNREL-ZDEQEGDKSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@@H]12)[C@H]1CCC[NH2+]1 ZINC000423061658 387865750 /nfs/dbraw/zinc/86/57/50/387865750.db2.gz RDNVZIQOMOXLEX-KIJLLGNVSA-N 2 0 224.348 1.284 20 0 BDADRP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@H](C[NH3+])C(C)C ZINC000433121655 387867009 /nfs/dbraw/zinc/86/70/09/387867009.db2.gz SOJBBHBHFNXYQL-DGCLKSJQSA-N 2 0 243.395 1.097 20 0 BDADRP C[C@@H](Cc1ccoc1)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643536227 387867996 /nfs/dbraw/zinc/86/79/96/387867996.db2.gz OQHYONDNWHVRBW-WCQYABFASA-N 2 0 234.343 1.942 20 0 BDADRP Cc1cccc(C[C@H](CO)[NH2+][C@H]2CCC[C@H]2[NH3+])c1 ZINC000423066482 387870658 /nfs/dbraw/zinc/87/06/58/387870658.db2.gz DUEOZOCRIKPMCF-KFWWJZLASA-N 2 0 248.370 1.368 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000423070831 387872485 /nfs/dbraw/zinc/87/24/85/387872485.db2.gz DPEJVEBMGBJGEA-BFHYXJOUSA-N 2 0 237.391 1.473 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](c1ccco1)N(C)C ZINC000422965655 387817395 /nfs/dbraw/zinc/81/73/95/387817395.db2.gz PDVYAOZMCFWSJQ-SDDRHHMPSA-N 2 0 239.363 1.598 20 0 BDADRP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000423071794 387872736 /nfs/dbraw/zinc/87/27/36/387872736.db2.gz OVZLSVOYCDHDQP-YVECIDJPSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000423071861 387872821 /nfs/dbraw/zinc/87/28/21/387872821.db2.gz GCNVRHCNGMCGJL-OBJOEFQTSA-N 2 0 239.407 1.719 20 0 BDADRP CCC(CC)[C@H](CN[C@H]1CCC[C@H]1[NH3+])[NH+](C)C ZINC000422968379 387819073 /nfs/dbraw/zinc/81/90/73/387819073.db2.gz WOYGITPDIKAEJA-RDBSUJKOSA-N 2 0 241.423 1.822 20 0 BDADRP C[C@H]1CSC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423107591 387891526 /nfs/dbraw/zinc/89/15/26/387891526.db2.gz KZOGGVKIZJWVAA-LAVVOLMRSA-N 2 0 226.389 1.611 20 0 BDADRP C[C@H]([NH2+]CC1(C(F)(F)F)CCC1)C1C[NH2+]C1 ZINC000423109296 387892519 /nfs/dbraw/zinc/89/25/19/387892519.db2.gz NIMPJHDJUYWTOS-QMMMGPOBSA-N 2 0 236.281 1.917 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000423110101 387892785 /nfs/dbraw/zinc/89/27/85/387892785.db2.gz ULVNKMCNVAGXRL-QWRGUYRKSA-N 2 0 246.358 1.821 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CCC1(F)CCC1 ZINC000423115249 387896649 /nfs/dbraw/zinc/89/66/49/387896649.db2.gz XOGSPMBLOKTZHP-NSHDSACASA-N 2 0 232.343 1.612 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCOC(F)F ZINC000423116747 387897951 /nfs/dbraw/zinc/89/79/51/387897951.db2.gz RKGNTIDYANVYNA-ZJUUUORDSA-N 2 0 236.306 1.593 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CSC[C@H]1C ZINC000423115970 387898205 /nfs/dbraw/zinc/89/82/05/387898205.db2.gz ZHBDJRLKFDUFQD-XFWSIPNHSA-N 2 0 202.367 1.453 20 0 BDADRP CC(C)[C@H]([NH2+][C@@H](C)CCCC[NH3+])C(C)(C)O ZINC000423081166 387876085 /nfs/dbraw/zinc/87/60/85/387876085.db2.gz UJFURVUIKDTREH-RYUDHWBXSA-N 2 0 230.396 1.889 20 0 BDADRP CC(C)(CN[C@@H]1CCC[C@@H]1[NH3+])C[NH+]1CCCC1 ZINC000423077249 387876608 /nfs/dbraw/zinc/87/66/08/387876608.db2.gz LUCQYNJURSBHAU-QWHCGFSZSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@](O)(C[NH2+][C@H]1CCC[C@H]1[NH3+])C1CCCCC1 ZINC000423079563 387876641 /nfs/dbraw/zinc/87/66/41/387876641.db2.gz QYETXZDYDSRIDL-RDBSUJKOSA-N 2 0 240.391 1.787 20 0 BDADRP CC[C@H]([NH2+][C@H]1CC[C@H](OC)C1)[C@@H]1CCC[NH2+]1 ZINC000423076027 387876917 /nfs/dbraw/zinc/87/69/17/387876917.db2.gz YFZXWQYZHXFFNM-CYDGBPFRSA-N 2 0 226.364 1.674 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000423082936 387878196 /nfs/dbraw/zinc/87/81/96/387878196.db2.gz FHGUHLBZIBCYAX-MGPQQGTHSA-N 2 0 241.423 1.966 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423082240 387878290 /nfs/dbraw/zinc/87/82/90/387878290.db2.gz CROSVCPMNRHNFP-UPJWGTAASA-N 2 0 227.396 1.447 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423082138 387878303 /nfs/dbraw/zinc/87/83/03/387878303.db2.gz CROSVCPMNRHNFP-FRRDWIJNSA-N 2 0 227.396 1.447 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1CCSC1 ZINC000423082911 387878810 /nfs/dbraw/zinc/87/88/10/387878810.db2.gz FEQBEHRTVLWSSP-IJLUTSLNSA-N 2 0 228.405 1.717 20 0 BDADRP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])C1 ZINC000423084306 387878974 /nfs/dbraw/zinc/87/89/74/387878974.db2.gz HQGUDRDPGSSQMT-VPOLOUISSA-N 2 0 228.336 1.044 20 0 BDADRP CCNC(=O)C1(C[NH2+][C@H](C)C[C@H](C)[NH3+])CCC1 ZINC000423081224 387879252 /nfs/dbraw/zinc/87/92/52/387879252.db2.gz UQXLBKQMVNWPBB-WDEREUQCSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@@H](NC[C@H]1[N@H+](C)CCCC1(C)C)C1C[NH2+]C1 ZINC000423085181 387879521 /nfs/dbraw/zinc/87/95/21/387879521.db2.gz JYAFECFJMMQXIN-DGCLKSJQSA-N 2 0 239.407 1.304 20 0 BDADRP CCC[N@@H+]1CCC[C@H]1CN[C@H]1CCC[C@@H]1[NH3+] ZINC000423115938 387898464 /nfs/dbraw/zinc/89/84/64/387898464.db2.gz ZBXBHQWHMJXBMF-AVGNSLFASA-N 2 0 225.380 1.330 20 0 BDADRP C[C@H]([NH2+][C@H](CO)CCC(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000423092934 387883707 /nfs/dbraw/zinc/88/37/07/387883707.db2.gz DXLVETXJIFTYTP-AVGNSLFASA-N 2 0 242.407 1.761 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NC1CC([NH+]2CCCCC2)C1 ZINC000423096439 387885884 /nfs/dbraw/zinc/88/58/84/387885884.db2.gz OVFJGBIFVCBMGF-MRFVTOPCSA-N 2 0 239.407 1.719 20 0 BDADRP COc1ncccc1CC[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000423141060 387918070 /nfs/dbraw/zinc/91/80/70/387918070.db2.gz NSKDUTSLHDVZPK-YPMHNXCESA-N 2 0 249.358 1.220 20 0 BDADRP COc1ncccc1CC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000423141703 387918934 /nfs/dbraw/zinc/91/89/34/387918934.db2.gz RJWGSVZTFQWCLO-QWHCGFSZSA-N 2 0 249.358 1.350 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000423141906 387919060 /nfs/dbraw/zinc/91/90/60/387919060.db2.gz SJBCBHYYYCUREI-BFHYXJOUSA-N 2 0 241.423 1.824 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1COc2ccccc21 ZINC000423121191 387901072 /nfs/dbraw/zinc/90/10/72/387901072.db2.gz IEICQZGLEVJCFJ-OUCADQQQSA-N 2 0 246.354 1.880 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CCCOC1 ZINC000423119329 387901086 /nfs/dbraw/zinc/90/10/86/387901086.db2.gz DPFROPYQVJFBJI-SRVKXCTJSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc2cc[nH]c2n1 ZINC000423121341 387901319 /nfs/dbraw/zinc/90/13/19/387901319.db2.gz IJTDZUXTAQJTQR-ZJUUUORDSA-N 2 0 232.331 1.778 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc2cc[nH]c2n1 ZINC000423121340 387901531 /nfs/dbraw/zinc/90/15/31/387901531.db2.gz IJTDZUXTAQJTQR-VHSXEESVSA-N 2 0 232.331 1.778 20 0 BDADRP CC[C@H](O)C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423124372 387903316 /nfs/dbraw/zinc/90/33/16/387903316.db2.gz GIVDECJWIQWPFF-UBHSHLNASA-N 2 0 236.359 1.305 20 0 BDADRP CCOCC(C)(C)C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423124769 387903745 /nfs/dbraw/zinc/90/37/45/387903745.db2.gz PBLHHJREWYEKDL-WDEREUQCSA-N 2 0 216.369 1.765 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1COc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000423125962 387906034 /nfs/dbraw/zinc/90/60/34/387906034.db2.gz RAXTUHUCWIZRQS-YNEHKIRRSA-N 2 0 246.354 1.750 20 0 BDADRP CCC[N@H+](CC)C[C@@H](C)N[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423133161 387908777 /nfs/dbraw/zinc/90/87/77/387908777.db2.gz CHAZPGBTAQKELW-MCIONIFRSA-N 2 0 241.423 1.837 20 0 BDADRP C[C@H]([NH2+]C[C@@H](CO)C1CC1)[C@H]1CCCC[NH2+]1 ZINC000423142773 387919595 /nfs/dbraw/zinc/91/95/95/387919595.db2.gz VWJLEPXZGXRVHP-WCFLWFBJSA-N 2 0 226.364 1.125 20 0 BDADRP COCC1(CC[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)CCC1 ZINC000423133366 387909906 /nfs/dbraw/zinc/90/99/06/387909906.db2.gz KCSCAQDHIXLFAC-QWHCGFSZSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000423131417 387910055 /nfs/dbraw/zinc/91/00/55/387910055.db2.gz SVMGAPUCXBKICZ-MROQNXINSA-N 2 0 228.380 1.501 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCC1(F)CCC1 ZINC000423134073 387911188 /nfs/dbraw/zinc/91/11/88/387911188.db2.gz WJCCYZKNHGWJST-NXEZZACHSA-N 2 0 200.301 1.738 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H](CO)C1CCCCC1 ZINC000423133416 387912216 /nfs/dbraw/zinc/91/22/16/387912216.db2.gz KIQWJEVQDUQLIM-OUCADQQQSA-N 2 0 242.407 1.891 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000423135206 387912390 /nfs/dbraw/zinc/91/23/90/387912390.db2.gz FNNZXLABHVHHKD-IHRRRGAJSA-N 2 0 241.423 1.694 20 0 BDADRP CCCN(CC)C[C@@H](C)[NH2+][C@@H](C)CCC[NH3+] ZINC000423137597 387913757 /nfs/dbraw/zinc/91/37/57/387913757.db2.gz IGBXAFRIESQMCF-QWHCGFSZSA-N 2 0 229.412 1.824 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CC[C@H](F)C1)[C@@H]1CCC[NH2+]1 ZINC000423136051 387914650 /nfs/dbraw/zinc/91/46/50/387914650.db2.gz YRSQDBIIYOOSMA-USZNOCQGSA-N 2 0 214.328 1.997 20 0 BDADRP COc1ccncc1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423137713 387916024 /nfs/dbraw/zinc/91/60/24/387916024.db2.gz WYFIGJAOSUVJCV-DGCLKSJQSA-N 2 0 249.358 1.697 20 0 BDADRP CCC[N@H+](CC)C[C@@H](C)N[C@@H](C)C[C@H](C)[NH3+] ZINC000423139463 387916403 /nfs/dbraw/zinc/91/64/03/387916403.db2.gz KTNVFEDCEVRGQQ-RWMBFGLXSA-N 2 0 229.412 1.822 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](CO)C1CC1 ZINC000423141852 387917435 /nfs/dbraw/zinc/91/74/35/387917435.db2.gz RZXXFTOMSNTETG-ZYHUDNBSSA-N 2 0 214.353 1.112 20 0 BDADRP CC[C@H]([NH2+][C@H](C)CC(C)(C)O)[C@@H]1CCC[NH2+]1 ZINC000423154410 387931556 /nfs/dbraw/zinc/93/15/56/387931556.db2.gz HPVQUAOKZWFQLJ-WOPDTQHZSA-N 2 0 228.380 1.656 20 0 BDADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000392198429 387934863 /nfs/dbraw/zinc/93/48/63/387934863.db2.gz WDDSFRVVPTVEEY-ZIAGYGMSSA-N 3 0 237.391 1.355 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC(C)(C)C(C)(C)O ZINC000423155698 387935021 /nfs/dbraw/zinc/93/50/21/387935021.db2.gz LIIOAYCKNHOFDW-NEPJUHHUSA-N 2 0 242.407 1.761 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)[C@H]([NH3+])C(C)C)c1 ZINC000424219404 387936290 /nfs/dbraw/zinc/93/62/90/387936290.db2.gz ALHYROMEDSTVIS-GFCCVEGCSA-N 2 0 235.331 1.376 20 0 BDADRP CC[C@@H]([NH2+][C@H]1CC[C@@H](CO)C1)[C@@H]1CCCC[NH2+]1 ZINC000423150106 387927378 /nfs/dbraw/zinc/92/73/78/387927378.db2.gz AXVAMKPXAACZGH-RQJABVFESA-N 2 0 240.391 1.658 20 0 BDADRP CC[C@@H]1OCC[C@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000423167250 387951952 /nfs/dbraw/zinc/95/19/52/387951952.db2.gz DXJXVDMEPJYJKR-TUAOUCFPSA-N 2 0 212.337 1.286 20 0 BDADRP C[C@@H](CCCO)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423167052 387952396 /nfs/dbraw/zinc/95/23/96/387952396.db2.gz ZZHMEQGNZCZOEZ-SRVKXCTJSA-N 2 0 214.353 1.125 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000423167341 387952565 /nfs/dbraw/zinc/95/25/65/387952565.db2.gz SDWYMJABGNGWHA-XQHKEYJVSA-N 2 0 226.364 1.804 20 0 BDADRP COCCC[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424287068 387952799 /nfs/dbraw/zinc/95/27/99/387952799.db2.gz IIWOIHUKVGECBH-LBPRGKRZSA-N 2 0 226.364 1.487 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000424293752 387954171 /nfs/dbraw/zinc/95/41/71/387954171.db2.gz PYEOXVJAWHVPDL-JHJVBQTASA-N 2 0 226.364 1.805 20 0 BDADRP C[C@H]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)O1 ZINC000423169886 387955601 /nfs/dbraw/zinc/95/56/01/387955601.db2.gz WUZQVCCSKFIOEN-GVWAJWJKSA-N 2 0 224.348 1.427 20 0 BDADRP COc1cccc2c1C[C@@H]([NH2+][C@@H](C)CCC[NH3+])C2 ZINC000423168975 387955758 /nfs/dbraw/zinc/95/57/58/387955758.db2.gz IHLMAACBVYIPEV-AAEUAGOBSA-N 2 0 248.370 1.879 20 0 BDADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCCO1 ZINC000423157997 387938578 /nfs/dbraw/zinc/93/85/78/387938578.db2.gz NLCNGWLWNIGZQL-YUELXQCFSA-N 2 0 248.370 1.714 20 0 BDADRP CC1(C)CCC[N@@H+]1CCN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000423160401 387940763 /nfs/dbraw/zinc/94/07/63/387940763.db2.gz HCTHRZFOHAOHSK-CHWSQXEVSA-N 2 0 239.407 1.578 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)C[NH2+]CC2CC2)c1 ZINC000424239070 387942023 /nfs/dbraw/zinc/94/20/23/387942023.db2.gz LIQXBQCPWLEJJV-UHFFFAOYSA-N 2 0 247.342 1.392 20 0 BDADRP C[C@@H](CCC[NH3+])[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000423162285 387942880 /nfs/dbraw/zinc/94/28/80/387942880.db2.gz OZKKJEQVSPKXOL-QWHCGFSZSA-N 2 0 226.364 1.616 20 0 BDADRP C[C@@H](CCC[NH3+])[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000423162286 387943938 /nfs/dbraw/zinc/94/39/38/387943938.db2.gz OZKKJEQVSPKXOL-STQMWFEESA-N 2 0 226.364 1.616 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000423164101 387946891 /nfs/dbraw/zinc/94/68/91/387946891.db2.gz NVRVUVRGFYGISZ-ZDEQEGDKSA-N 2 0 226.364 1.125 20 0 BDADRP COC(=O)CC1CC([NH2+][C@@H](C)CC[NH+](C)C)C1 ZINC000424276986 387949258 /nfs/dbraw/zinc/94/92/58/387949258.db2.gz ZPJUTLJQEYVBCL-UNXYVOJBSA-N 2 0 242.363 1.258 20 0 BDADRP COCC[C@H](C)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000423172369 387959113 /nfs/dbraw/zinc/95/91/13/387959113.db2.gz SMOBSKQHIRILRP-AVGNSLFASA-N 2 0 228.380 1.766 20 0 BDADRP CCOC(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424300501 387959954 /nfs/dbraw/zinc/95/99/54/387959954.db2.gz WKIFZXJWPGRKNK-LLVKDONJSA-N 2 0 240.347 1.014 20 0 BDADRP CC[C@@H]1OCC[C@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000423173082 387960729 /nfs/dbraw/zinc/96/07/29/387960729.db2.gz WVBZHTBIUDMJSS-TUUUFIMRSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000423176495 387962087 /nfs/dbraw/zinc/96/20/87/387962087.db2.gz GCQWOMJNJXVTCQ-RGDJUOJXSA-N 2 0 240.391 1.920 20 0 BDADRP Cc1nc2c(s1)[C@H]([NH2+]CCC[NH3+])CCC2 ZINC000423178333 387963824 /nfs/dbraw/zinc/96/38/24/387963824.db2.gz BURYGUKTSUHAFV-SECBINFHSA-N 2 0 225.361 1.767 20 0 BDADRP [NH3+]CCC[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000423180027 387966060 /nfs/dbraw/zinc/96/60/60/387966060.db2.gz DTUDTXNQSMHPCA-GFCCVEGCSA-N 2 0 223.295 1.610 20 0 BDADRP CC(C)O[C@@H]1C[C@H]([NH2+]CCC[NH3+])C1(C)C ZINC000423179390 387966557 /nfs/dbraw/zinc/96/65/57/387966557.db2.gz CZUSIIDHORQBSF-WDEREUQCSA-N 2 0 214.353 1.517 20 0 BDADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]CCC[NH3+] ZINC000423181090 387967152 /nfs/dbraw/zinc/96/71/52/387967152.db2.gz FJCLCNIDTUYXGC-QWRGUYRKSA-N 2 0 200.326 1.130 20 0 BDADRP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)[C@H]1CCCO1 ZINC000423181285 387967617 /nfs/dbraw/zinc/96/76/17/387967617.db2.gz OQDPSUPPYYXJLU-VXGBXAGGSA-N 2 0 226.364 1.805 20 0 BDADRP C[C@@H]([NH2+]CCC[NH3+])c1ccc(-n2cccn2)cc1 ZINC000423183401 387967688 /nfs/dbraw/zinc/96/76/88/387967688.db2.gz RQSVAWMTQSLGKV-GFCCVEGCSA-N 2 0 244.342 1.872 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000423183557 387969578 /nfs/dbraw/zinc/96/95/78/387969578.db2.gz MPLAELQRWAOFAZ-LMLFDSFASA-N 2 0 208.305 1.851 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+]CCC[NH3+])C1(CC)CC ZINC000423184365 387970402 /nfs/dbraw/zinc/97/04/02/387970402.db2.gz IMMOBDLHSFRARB-RYUDHWBXSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)NCC1([NH3+])CCCCC1 ZINC000423185028 387970522 /nfs/dbraw/zinc/97/05/22/387970522.db2.gz UNQSFPROBHBSKE-MNOVXSKESA-N 2 0 213.369 1.363 20 0 BDADRP C[C@@H](NCC[N@@H+]1CCCC1(C)C)[C@H]1CCC[NH2+]1 ZINC000423170392 387957549 /nfs/dbraw/zinc/95/75/49/387957549.db2.gz XYFMNDQJRZYKBO-CHWSQXEVSA-N 2 0 239.407 1.591 20 0 BDADRP COCC[C@H](C)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423171405 387957587 /nfs/dbraw/zinc/95/75/87/387957587.db2.gz OITYWNWIDJJVBT-AVGNSLFASA-N 2 0 228.380 1.779 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000423194896 387980477 /nfs/dbraw/zinc/98/04/77/387980477.db2.gz ZKGXLKLDFJXDPS-NSHDSACASA-N 2 0 222.332 1.955 20 0 BDADRP [NH3+]CCC[NH2+][C@@H]1CCCNc2ccccc21 ZINC000423197159 387981858 /nfs/dbraw/zinc/98/18/58/387981858.db2.gz YDVURJYNTVRGCC-CYBMUJFWSA-N 2 0 219.332 1.872 20 0 BDADRP CC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])[C@@H](O)C(C)C ZINC000423188827 387973105 /nfs/dbraw/zinc/97/31/05/387973105.db2.gz QMOSEOAKZVIJLV-USZNOCQGSA-N 2 0 216.369 1.497 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1C[C@H](C)O[C@H]1C ZINC000423191047 387975369 /nfs/dbraw/zinc/97/53/69/387975369.db2.gz SISWYLSZNIPGAA-VOAKCMCISA-N 2 0 228.380 1.907 20 0 BDADRP CCOCCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158967861 387977047 /nfs/dbraw/zinc/97/70/47/387977047.db2.gz FAALJTOTVAJJAB-ZIAGYGMSSA-N 2 0 240.391 1.829 20 0 BDADRP COCC1CCC([NH2+][C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000423192864 387977622 /nfs/dbraw/zinc/97/76/22/387977622.db2.gz VFCZMKIGCWGFBS-GNRIBBGQSA-N 2 0 240.391 1.909 20 0 BDADRP C[NH2+]CCC[NH2+][C@H]1CCc2c1cccc2OC ZINC000423204596 387990781 /nfs/dbraw/zinc/99/07/81/387990781.db2.gz UYVNPOJWLPBEIQ-ZDUSSCGKSA-N 2 0 234.343 1.882 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H]1CCC[C@H]1CCOC ZINC000423204565 387991148 /nfs/dbraw/zinc/99/11/48/387991148.db2.gz UTBBRTAPLYBEKE-NWDGAFQWSA-N 2 0 214.353 1.391 20 0 BDADRP CCC1CC[NH+](CCOCC[NH3+])CC1 ZINC000086435474 135083997 /nfs/dbraw/zinc/08/39/97/135083997.db2.gz JEHVFGRSKZIEIA-UHFFFAOYSA-N 2 0 200.326 1.084 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000423208546 387993607 /nfs/dbraw/zinc/99/36/07/387993607.db2.gz YZABZZCFQUGQFQ-CQSZACIVSA-N 2 0 234.343 1.882 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424369575 387993846 /nfs/dbraw/zinc/99/38/46/387993846.db2.gz RHNANCJPJZGICT-YVECIDJPSA-N 2 0 225.380 1.377 20 0 BDADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424369503 387993887 /nfs/dbraw/zinc/99/38/87/387993887.db2.gz BYDGTEHHMBCFQY-DDNMXHNFSA-N 2 0 238.375 1.517 20 0 BDADRP C[C@@H](CC(C)(C)C)[NH2+]CCN1CC[NH2+]CC1 ZINC000423207580 387994071 /nfs/dbraw/zinc/99/40/71/387994071.db2.gz RYAOLWBHWNNFCY-LBPRGKRZSA-N 2 0 227.396 1.306 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424369505 387994454 /nfs/dbraw/zinc/99/44/54/387994454.db2.gz BYDGTEHHMBCFQY-DDNRWTCHSA-N 2 0 238.375 1.517 20 0 BDADRP Cc1ncc([C@H](C)NC[C@@H]2CCC[NH2+]C2)c(C)n1 ZINC000423213254 387994621 /nfs/dbraw/zinc/99/46/21/387994621.db2.gz NEDRTFWPBCOYMZ-GXFFZTMASA-N 2 0 248.374 1.744 20 0 BDADRP CCN1C[C@@H](C)[C@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000423211338 387995533 /nfs/dbraw/zinc/99/55/33/387995533.db2.gz GXHBGHIOBSGKTJ-IKWCTNDRSA-N 3 0 225.380 1.186 20 0 BDADRP Cc1cc([C@H](C)NC[C@@H](O)C[NH+](C)C)cs1 ZINC000453090238 387982226 /nfs/dbraw/zinc/98/22/26/387982226.db2.gz BVRCVSYJJFUMHV-CMPLNLGQSA-N 2 0 242.388 1.630 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCCOC1 ZINC000245805213 387984902 /nfs/dbraw/zinc/98/49/02/387984902.db2.gz CAXILOIFHYMSSX-NDBYEHHHSA-N 2 0 226.364 1.484 20 0 BDADRP CC[C@H]([NH2+]CCN1CC[NH2+]CC1)[C@H]1CC1(C)C ZINC000423200881 387987120 /nfs/dbraw/zinc/98/71/20/387987120.db2.gz GUDDPIAWFHINGT-OLZOCXBDSA-N 2 0 239.407 1.306 20 0 BDADRP C[NH2+]CCC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000423202228 387987175 /nfs/dbraw/zinc/98/71/75/387987175.db2.gz QIYZDKXSDGUWNR-GRYCIOLGSA-N 2 0 224.348 1.143 20 0 BDADRP C[C@@H]1C[C@@H](NC[C@@H]2CCC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000423214328 387997333 /nfs/dbraw/zinc/99/73/33/387997333.db2.gz OQDYPNZMAIBJBW-JHJVBQTASA-N 2 0 237.391 1.201 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@@H]2CCCCO2)C[C@@H]1C[NH3+] ZINC000420411544 387998653 /nfs/dbraw/zinc/99/86/53/387998653.db2.gz RVFANXZISXYXND-RDBSUJKOSA-N 2 0 240.391 1.862 20 0 BDADRP C(C[N@H+]1C[C@H]2CCC[C@@H](C1)N2)[C@H]1CCC[NH2+]C1 ZINC000420406561 387998930 /nfs/dbraw/zinc/99/89/30/387998930.db2.gz UPUOGCYILAYHQV-MCIONIFRSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])[C@@H]1CCOC1 ZINC000424376068 387999227 /nfs/dbraw/zinc/99/92/27/387999227.db2.gz OJTVTYGRMPUCJQ-IRCOFANPSA-N 2 0 212.337 1.271 20 0 BDADRP COc1ccnc(C[NH2+][C@@H](C)CCCC[NH3+])n1 ZINC000424383948 388001948 /nfs/dbraw/zinc/00/19/48/388001948.db2.gz URUMBTWPMBGQEK-JTQLQIEISA-N 2 0 238.335 1.092 20 0 BDADRP C[C@@H](Cc1ccoc1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423221446 388002488 /nfs/dbraw/zinc/00/24/88/388002488.db2.gz ZWAYDMRHTGEFOY-WCQYABFASA-N 2 0 222.332 1.800 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@H]1CCC[NH2+]C1 ZINC000423220289 388002741 /nfs/dbraw/zinc/00/27/41/388002741.db2.gz XWTRNTLBWXVTME-YIYPIFLZSA-N 2 0 239.407 1.304 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000423223174 388004233 /nfs/dbraw/zinc/00/42/33/388004233.db2.gz FDXITHQVQZZEPR-RFQIPJPRSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@H]1CCc2ccccc2OC1 ZINC000423224157 388006461 /nfs/dbraw/zinc/00/64/61/388006461.db2.gz IJYHPKZQHAZVQT-AAEUAGOBSA-N 2 0 234.343 1.707 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCCO2)CC[N@@H+]1C ZINC000156625792 388013129 /nfs/dbraw/zinc/01/31/29/388013129.db2.gz OFNBQZFSERYFTR-AGIUHOORSA-N 2 0 226.364 1.628 20 0 BDADRP CCn1cc([C@@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cn1 ZINC000423242719 388025930 /nfs/dbraw/zinc/02/59/30/388025930.db2.gz FTCHSHKPXSABCU-VXGBXAGGSA-N 2 0 236.363 1.553 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000423256373 388036558 /nfs/dbraw/zinc/03/65/58/388036558.db2.gz BSTYDMJZMWZXGF-QWHCGFSZSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000082645594 388038168 /nfs/dbraw/zinc/03/81/68/388038168.db2.gz UAYGNPMQWHSRRN-WCQYABFASA-N 2 0 219.332 1.641 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000082645596 388039332 /nfs/dbraw/zinc/03/93/32/388039332.db2.gz UAYGNPMQWHSRRN-AAEUAGOBSA-N 2 0 219.332 1.641 20 0 BDADRP CC(C)C[C@H](C[NH3+])N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000423264002 388042110 /nfs/dbraw/zinc/04/21/10/388042110.db2.gz PJYQIRWXMBJKRS-YNEHKIRRSA-N 2 0 239.407 1.575 20 0 BDADRP Cn1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000446886922 388043944 /nfs/dbraw/zinc/04/39/44/388043944.db2.gz LTFFKWILHDGIMX-UHFFFAOYSA-N 2 0 247.386 1.989 20 0 BDADRP CC[NH2+]CCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423242798 388026729 /nfs/dbraw/zinc/02/67/29/388026729.db2.gz VWBDNMGWTUWFRH-HZSPNIEDSA-N 2 0 239.407 1.496 20 0 BDADRP Cc1[nH+]ccc(N(C)[C@@H](C)C[NH3+])c1Cl ZINC000261527642 135151854 /nfs/dbraw/zinc/15/18/54/135151854.db2.gz DYRGVIGEKFLTOQ-ZETCQYMHSA-N 2 0 213.712 1.827 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@H](N)c1ccccc1 ZINC000423244955 388027598 /nfs/dbraw/zinc/02/75/98/388027598.db2.gz ICMZNBSLEGIRCU-YPMHNXCESA-N 2 0 221.348 1.403 20 0 BDADRP CC[N@@H+]1C[C@H](C)[C@H](NC[C@H]([NH3+])c2ccccc2)C1 ZINC000423245355 388027967 /nfs/dbraw/zinc/02/79/67/388027967.db2.gz OSLZHGKEZYIUIM-AEGPPILISA-N 2 0 247.386 1.616 20 0 BDADRP C[C@@H](NC[C@H]([NH3+])c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000423244550 388028388 /nfs/dbraw/zinc/02/83/88/388028388.db2.gz HRSQNVZJZVXTPU-SNPRPXQTSA-N 2 0 247.386 1.807 20 0 BDADRP CC[N@H+]1C[C@H](NC[C@H]([NH3+])c2ccccc2)[C@@H](C)C1 ZINC000423245360 388029012 /nfs/dbraw/zinc/02/90/12/388029012.db2.gz OSLZHGKEZYIUIM-QEJZJMRPSA-N 2 0 247.386 1.616 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCCCN1CCO)C(C)(C)C ZINC000453272415 388029584 /nfs/dbraw/zinc/02/95/84/388029584.db2.gz UVXMMAJVRMESEI-OLZOCXBDSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCCCN1CCO)C(C)(C)C ZINC000453272413 388030342 /nfs/dbraw/zinc/03/03/42/388030342.db2.gz UVXMMAJVRMESEI-CHWSQXEVSA-N 2 0 242.407 1.857 20 0 BDADRP CC(C)[C@@H]([NH3+])C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000423272265 388051394 /nfs/dbraw/zinc/05/13/94/388051394.db2.gz JUENMMQTRWRMQH-MROQNXINSA-N 2 0 238.375 1.517 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[C@H]2O)CC[N@@H+]1C ZINC000453348620 388053873 /nfs/dbraw/zinc/05/38/73/388053873.db2.gz FVDNQNUPZUIZCM-XDQVBPFNSA-N 2 0 240.391 1.610 20 0 BDADRP Cc1nccnc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000423274404 388055349 /nfs/dbraw/zinc/05/53/49/388055349.db2.gz KIZFMCMGVGAYHJ-RWMBFGLXSA-N 2 0 248.374 1.953 20 0 BDADRP Cc1nccnc1[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000423274405 388055835 /nfs/dbraw/zinc/05/58/35/388055835.db2.gz KIZFMCMGVGAYHJ-XQQFMLRXSA-N 2 0 248.374 1.953 20 0 BDADRP C[C@@H]1CC[NH+](C[C@@H](O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000447300891 388061678 /nfs/dbraw/zinc/06/16/78/388061678.db2.gz ZTIRLWFDOUUWTF-CLLJXQQHSA-N 2 0 226.364 1.031 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)Cc1ccoc1 ZINC000423285740 388068303 /nfs/dbraw/zinc/06/83/03/388068303.db2.gz ZYIVDOCFYYMSNG-QWRGUYRKSA-N 2 0 210.321 1.656 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@H](C)c1c[nH+]ccc1N ZINC000423285614 388069251 /nfs/dbraw/zinc/06/92/51/388069251.db2.gz ZKTVJCZEZAWFKZ-BXKDBHETSA-N 2 0 222.336 1.128 20 0 BDADRP CC(C)[C@@H]([NH3+])CN[C@H](C)c1c[nH+]ccc1N ZINC000423285617 388069410 /nfs/dbraw/zinc/06/94/10/388069410.db2.gz ZKTVJCZEZAWFKZ-SKDRFNHKSA-N 2 0 222.336 1.128 20 0 BDADRP CCc1cc(NC[C@H]2CCC[NH2+]2)nc(C)n1 ZINC000084082127 388069584 /nfs/dbraw/zinc/06/95/84/388069584.db2.gz LXLYDCLSJPBZIM-LLVKDONJSA-N 2 0 220.320 1.511 20 0 BDADRP CC(C)([NH3+])C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000423287349 388070604 /nfs/dbraw/zinc/07/06/04/388070604.db2.gz LROFVWNMKASFCE-AXFHLTTASA-N 2 0 226.364 1.517 20 0 BDADRP CCC([NH3+])(CC)CN[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000423286509 388070616 /nfs/dbraw/zinc/07/06/16/388070616.db2.gz HSDDCLGMABBFFB-RYUDHWBXSA-N 2 0 239.407 1.719 20 0 BDADRP CCC([NH3+])(CC)CN[C@H]1C[N@H+](C)C[C@H]1C ZINC000423288443 388072882 /nfs/dbraw/zinc/07/28/82/388072882.db2.gz SBSNGEIMLBPYAI-MNOVXSKESA-N 2 0 213.369 1.044 20 0 BDADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCC(C)(C)[NH3+] ZINC000423288386 388073048 /nfs/dbraw/zinc/07/30/48/388073048.db2.gz RXUARIXMAQIVQZ-AAEUAGOBSA-N 2 0 235.375 1.272 20 0 BDADRP CCC([NH3+])(CC)CN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000423288022 388073132 /nfs/dbraw/zinc/07/31/32/388073132.db2.gz PYGVFIRQOBNQGQ-VXGBXAGGSA-N 2 0 227.396 1.576 20 0 BDADRP CC(C)OCCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000084215797 388073252 /nfs/dbraw/zinc/07/32/52/388073252.db2.gz OFTVTCAOYWIPSP-QWHCGFSZSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])[C@@H]1CCCO1 ZINC000084215822 388073750 /nfs/dbraw/zinc/07/37/50/388073750.db2.gz VJVWCDLRHLOOMC-LOWDOPEQSA-N 2 0 226.364 1.661 20 0 BDADRP CCC([NH3+])(CC)CN[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000423289948 388074276 /nfs/dbraw/zinc/07/42/76/388074276.db2.gz YOVSDXGOZKBTIF-RYUDHWBXSA-N 2 0 227.396 1.434 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCc1ccccn1 ZINC000084217589 388075551 /nfs/dbraw/zinc/07/55/51/388075551.db2.gz TZXRQPSWHSXFOB-WCQYABFASA-N 2 0 219.332 1.341 20 0 BDADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CN(C)C[C@@H]2C)cc1 ZINC000423293420 388075750 /nfs/dbraw/zinc/07/57/50/388075750.db2.gz RHVIRNCERUDJJZ-HUBLWGQQSA-N 2 0 247.386 1.746 20 0 BDADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CN(C)C[C@@H]2C)cc1 ZINC000423293421 388075918 /nfs/dbraw/zinc/07/59/18/388075918.db2.gz RHVIRNCERUDJJZ-SLEUVZQESA-N 2 0 247.386 1.746 20 0 BDADRP CCC([NH3+])(CC)C[NH2+][C@H]1CCOC[C@H]1C ZINC000423292579 388076154 /nfs/dbraw/zinc/07/61/54/388076154.db2.gz NJNQVKNPKOSFQC-MNOVXSKESA-N 2 0 214.353 1.519 20 0 BDADRP C[C@@H]([NH3+])c1ccc(CN[C@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000423293145 388076378 /nfs/dbraw/zinc/07/63/78/388076378.db2.gz PZHKECAGRXWNQK-JMSVASOKSA-N 2 0 247.386 1.936 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000423296729 388079020 /nfs/dbraw/zinc/07/90/20/388079020.db2.gz HOHUMRQWPVLPMF-UPJWGTAASA-N 2 0 227.396 1.624 20 0 BDADRP C[N@H+](CCCC[NH2+]C[C@H]1CCCOC1)C1CC1 ZINC000453591566 388088334 /nfs/dbraw/zinc/08/83/34/388088334.db2.gz CREIGJQGXLKMHO-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](C)N(C)C1CC1 ZINC000336660492 388091800 /nfs/dbraw/zinc/09/18/00/388091800.db2.gz NNXSEBLIWIEMPG-NEPJUHHUSA-N 2 0 227.396 1.576 20 0 BDADRP C=Cn1cc(C[NH+]2CCC(C[NH+](C)C)CC2)cn1 ZINC000447794034 388093035 /nfs/dbraw/zinc/09/30/35/388093035.db2.gz BLTUHUDDTUGAMD-UHFFFAOYSA-N 2 0 248.374 1.757 20 0 BDADRP C[C@H](O)[C@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000118946447 388100232 /nfs/dbraw/zinc/10/02/32/388100232.db2.gz JBTDPOFJKGJVML-KBPBESRZSA-N 2 0 240.391 1.565 20 0 BDADRP CC(C)SCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000261527407 135151962 /nfs/dbraw/zinc/15/19/62/135151962.db2.gz AUCNTZVSKBYIFJ-WDEREUQCSA-N 2 0 216.394 1.845 20 0 BDADRP CCN(CCO)CC[NH2+][C@@H]1C[C@H](C)CC[C@H]1C ZINC000449250165 388162755 /nfs/dbraw/zinc/16/27/55/388162755.db2.gz OCUKJFWTZPCDDF-MGPQQGTHSA-N 2 0 242.407 1.715 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCSC2)C1 ZINC000250572853 388177334 /nfs/dbraw/zinc/17/73/34/388177334.db2.gz FBGWNLBEMNYRJO-QWRGUYRKSA-N 2 0 214.378 1.423 20 0 BDADRP CC[C@@H](CO)[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000164017622 388129933 /nfs/dbraw/zinc/12/99/33/388129933.db2.gz QTRHBJHFRCLFQJ-RWMBFGLXSA-N 2 0 228.380 1.658 20 0 BDADRP CC[C@H](C)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104927 388143421 /nfs/dbraw/zinc/14/34/21/388143421.db2.gz WDZLSTVEOGDDPN-ZDUSSCGKSA-N 2 0 240.391 1.829 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)C1 ZINC000449107284 388143727 /nfs/dbraw/zinc/14/37/27/388143727.db2.gz OWTWBERIVRUNLH-XJFOESAGSA-N 2 0 240.391 1.874 20 0 BDADRP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@H](C)[NH2+]C1CC1 ZINC000449122589 388145183 /nfs/dbraw/zinc/14/51/83/388145183.db2.gz MAJFJPASPLJTET-GXFFZTMASA-N 2 0 241.379 1.007 20 0 BDADRP CCC[NH2+][C@@H](C)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000449138670 388147886 /nfs/dbraw/zinc/14/78/86/388147886.db2.gz ISHHXUXEHWZSTA-NWDGAFQWSA-N 2 0 243.395 1.206 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC1=CCCOC1 ZINC000379737279 388255727 /nfs/dbraw/zinc/25/57/27/388255727.db2.gz RGYOEHGAZXLFLE-GFCCVEGCSA-N 2 0 224.348 1.311 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000449408925 388197370 /nfs/dbraw/zinc/19/73/70/388197370.db2.gz QAORMCRJFLMFKF-DYEKYZERSA-N 2 0 240.391 1.467 20 0 BDADRP CCN1C[C@@H](C)[C@@H]([NH2+][C@H]2CC[C@@H](CO)C2)C1 ZINC000449423658 388202349 /nfs/dbraw/zinc/20/23/49/388202349.db2.gz BFMVCWBKJDMEPD-NDBYEHHHSA-N 2 0 226.364 1.077 20 0 BDADRP CCC[C@H]([NH3+])C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000489468821 388217030 /nfs/dbraw/zinc/21/70/30/388217030.db2.gz JIIQQCIQMBNPBF-GWCFXTLKSA-N 2 0 249.358 1.450 20 0 BDADRP CC[C@@H]([NH3+])CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000449608677 388241918 /nfs/dbraw/zinc/24/19/18/388241918.db2.gz JLAVEMLFPQGZMA-NWDGAFQWSA-N 2 0 241.379 1.104 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)C[C@H]2CCC[NH2+]2)cc1 ZINC000449618971 388244135 /nfs/dbraw/zinc/24/41/35/388244135.db2.gz MSOWWYXFJPMSJV-CYBMUJFWSA-N 2 0 247.342 1.487 20 0 BDADRP CC[C@@H](C(=O)N(C)C1CC([NH3+])C1)[NH+](CC)CC ZINC000449635585 388246886 /nfs/dbraw/zinc/24/68/86/388246886.db2.gz UMMUVCYKWURRGD-MCIGGMRASA-N 2 0 241.379 1.055 20 0 BDADRP CCSCC[NH2+][C@@H](C)CC[NH+](C)C ZINC000164799191 388248271 /nfs/dbraw/zinc/24/82/71/388248271.db2.gz CSYPESKHNYHXCZ-JTQLQIEISA-N 2 0 204.383 1.669 20 0 BDADRP C[C@H](C[NH2+]Cc1cccc2c[nH]nc21)C[NH+](C)C ZINC000491597953 388304690 /nfs/dbraw/zinc/30/46/90/388304690.db2.gz AUQWZADBJQTFIW-LLVKDONJSA-N 2 0 246.358 1.850 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000414870825 256628693 /nfs/dbraw/zinc/62/86/93/256628693.db2.gz CORCOXBOLRCHED-XBFCOCLRSA-N 2 0 218.344 1.975 20 0 BDADRP C[C@H]([NH3+])CCC(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000646467425 388362625 /nfs/dbraw/zinc/36/26/25/388362625.db2.gz HYDGBDJBPJODRM-RYUDHWBXSA-N 2 0 241.379 1.057 20 0 BDADRP C[NH+](C)[C@H]1CCCN(C(=O)CC(C)(C)[NH3+])CC1 ZINC000646467475 388362944 /nfs/dbraw/zinc/36/29/44/388362944.db2.gz OVLAOENGCXPMOE-NSHDSACASA-N 2 0 241.379 1.057 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@@H](O)C2)CC[N@@H+]1C ZINC000235348607 388368327 /nfs/dbraw/zinc/36/83/27/388368327.db2.gz RSXDMRQQRDXCFL-FDYHWXHSSA-N 2 0 226.364 1.220 20 0 BDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC2C[NH2+]C2)C1 ZINC000572749225 388373261 /nfs/dbraw/zinc/37/32/61/388373261.db2.gz KBOTUUDKARUOCN-OCCSQVGLSA-N 2 0 245.370 1.383 20 0 BDADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC2C[NH2+]C2)C1 ZINC000572749224 388373861 /nfs/dbraw/zinc/37/38/61/388373861.db2.gz KBOTUUDKARUOCN-JSGCOSHPSA-N 2 0 245.370 1.383 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000236762891 388382295 /nfs/dbraw/zinc/38/22/95/388382295.db2.gz RPXOWALFSQICFL-UTUOFQBUSA-N 2 0 241.379 1.090 20 0 BDADRP COC[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000397230865 388406081 /nfs/dbraw/zinc/40/60/81/388406081.db2.gz FVXNDCJYJXCTIY-SRVKXCTJSA-N 2 0 212.337 1.271 20 0 BDADRP FC1(F)CC[C@@H](C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000300854768 388398461 /nfs/dbraw/zinc/39/84/61/388398461.db2.gz KBDMWJWNVKUEOE-MXWKQRLJSA-N 2 0 230.302 1.573 20 0 BDADRP C[NH2+]CCC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000515351661 256742347 /nfs/dbraw/zinc/74/23/47/256742347.db2.gz PWMPPWTTYMBPAK-CYBMUJFWSA-N 2 0 249.358 1.192 20 0 BDADRP Nc1ncc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000515383713 256744254 /nfs/dbraw/zinc/74/42/54/256744254.db2.gz UEIOQRNZODBDIL-RKDXNWHRSA-N 2 0 240.376 1.163 20 0 BDADRP CC[C@@H](C)C[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000336725390 388470325 /nfs/dbraw/zinc/47/03/25/388470325.db2.gz GKIVHMRGHFAHIT-NXEZZACHSA-N 2 0 207.321 1.903 20 0 BDADRP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)[C@H](C)O ZINC000516564376 388478324 /nfs/dbraw/zinc/47/83/24/388478324.db2.gz BVNZABOQVPBDRG-XQQFMLRXSA-N 2 0 228.380 1.610 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCCN1C)c1cn[nH]c1 ZINC000296045488 388417444 /nfs/dbraw/zinc/41/74/44/388417444.db2.gz QWNHLWWXYMNBRD-ONGXEEELSA-N 2 0 208.309 1.155 20 0 BDADRP COC[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])C1CC1 ZINC000397232629 388421095 /nfs/dbraw/zinc/42/10/95/388421095.db2.gz GZPRVMWJPJPFMA-AVGNSLFASA-N 2 0 226.364 1.519 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NCC[NH3+] ZINC000307596966 388424136 /nfs/dbraw/zinc/42/41/36/388424136.db2.gz MYWILWJLRKCTRR-GXTWGEPZSA-N 2 0 233.359 1.055 20 0 BDADRP CCOC(=O)CCCC[NH+]1CCC([NH3+])CC1 ZINC000573250089 388436196 /nfs/dbraw/zinc/43/61/96/388436196.db2.gz YMMIQKNJLOESAB-UHFFFAOYSA-N 2 0 228.336 1.143 20 0 BDADRP CCO[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000573266713 388437566 /nfs/dbraw/zinc/43/75/66/388437566.db2.gz KXGQNGCMHYZQLU-ZDEQEGDKSA-N 2 0 242.363 1.040 20 0 BDADRP CC[NH+]1CCN(CCc2ccncc2C)CC1 ZINC000517232591 388543602 /nfs/dbraw/zinc/54/36/02/388543602.db2.gz DZGGSAWOESKWNU-UHFFFAOYSA-N 2 0 233.359 1.570 20 0 BDADRP C[C@H](C[NH2+][C@H](C)[C@@]1(C)CCCO1)C[NH+](C)C ZINC000340392665 388489778 /nfs/dbraw/zinc/48/97/78/388489778.db2.gz ZWQHATJJWFPRDJ-JHJVBQTASA-N 2 0 228.380 1.731 20 0 BDADRP CCn1cc([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cn1 ZINC000344289583 388505773 /nfs/dbraw/zinc/50/57/73/388505773.db2.gz LFMOXWRFXKNHCB-GFCCVEGCSA-N 2 0 248.374 1.816 20 0 BDADRP Cc1[nH+]ccc(NCC2([NH+](C)C)CC2)c1Cl ZINC000397881871 388509319 /nfs/dbraw/zinc/50/93/19/388509319.db2.gz KWQWMPUUKFUAOO-UHFFFAOYSA-N 2 0 239.750 1.971 20 0 BDADRP C([NH2+]C(C1CC1)C1CC1)[C@@H]1C[NH2+]CCCO1 ZINC000516643639 388512296 /nfs/dbraw/zinc/51/22/96/388512296.db2.gz QVGFJKSSYAGPLE-LBPRGKRZSA-N 2 0 224.348 1.143 20 0 BDADRP C[C@@H](Cn1ccnc1)[NH2+][C@H]1CCn2ccnc21 ZINC000345354927 388514149 /nfs/dbraw/zinc/51/41/49/388514149.db2.gz SOMOMKNGMAUFQG-QWRGUYRKSA-N 2 0 231.303 1.203 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CS[C@@H](C)C1 ZINC000398002443 388515079 /nfs/dbraw/zinc/51/50/79/388515079.db2.gz UBMIJBBVXZNDES-KXUCPTDWSA-N 2 0 202.367 1.597 20 0 BDADRP CC(C)C[C@H](C)C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000348051410 388524795 /nfs/dbraw/zinc/52/47/95/388524795.db2.gz ZZVBPWCHKXJPBQ-ZDUSSCGKSA-N 2 0 242.407 1.715 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000348257873 388527308 /nfs/dbraw/zinc/52/73/08/388527308.db2.gz TZCBCYMSDIAWRP-MJBXVCDLSA-N 2 0 240.391 1.467 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000348257870 388527751 /nfs/dbraw/zinc/52/77/51/388527751.db2.gz TZCBCYMSDIAWRP-BFHYXJOUSA-N 2 0 240.391 1.467 20 0 BDADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)[C@@H](C)O)CC1 ZINC000517125693 388535734 /nfs/dbraw/zinc/53/57/34/388535734.db2.gz AJLWYTZLEXNAKW-NWDGAFQWSA-N 2 0 228.380 1.467 20 0 BDADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CC[C@H]1CCOC1 ZINC000352539442 388536347 /nfs/dbraw/zinc/53/63/47/388536347.db2.gz ARQXCBPDXMYGQI-QWHCGFSZSA-N 2 0 226.364 1.616 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1CCCCO1 ZINC000379260513 388602396 /nfs/dbraw/zinc/60/23/96/388602396.db2.gz MDKVIIBVXLVNFJ-JSGCOSHPSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000356697478 388551136 /nfs/dbraw/zinc/55/11/36/388551136.db2.gz NFKHCJLEBYFQON-UTUOFQBUSA-N 2 0 214.353 1.661 20 0 BDADRP CCc1noc(C)c1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000517587724 388555652 /nfs/dbraw/zinc/55/56/52/388555652.db2.gz GIDSHNGVDUHICJ-WDEREUQCSA-N 2 0 237.347 1.905 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](C[C@H]2CCCC[C@@H]2O)C1 ZINC000328158939 388558088 /nfs/dbraw/zinc/55/80/88/388558088.db2.gz GTPSXPFKWPUOHR-MJBXVCDLSA-N 2 0 240.391 1.598 20 0 BDADRP CO[C@H](C[NH2+][C@H](C)CCCC[NH3+])C(C)C ZINC000362978313 388562856 /nfs/dbraw/zinc/56/28/56/388562856.db2.gz YXKFMSJNELEXKV-VXGBXAGGSA-N 2 0 216.369 1.765 20 0 BDADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000548885301 388568558 /nfs/dbraw/zinc/56/85/58/388568558.db2.gz UJCXMDWADAZHSV-XQQFMLRXSA-N 2 0 238.375 1.221 20 0 BDADRP c1nc2n(c1C[NH2+][C@H]1CCOC1)CCCC2 ZINC000370261909 388570558 /nfs/dbraw/zinc/57/05/58/388570558.db2.gz ORNDPOUFWFYMDT-JTQLQIEISA-N 2 0 221.304 1.098 20 0 BDADRP C[N@H+](C[C@@H]1CCSC1)CC(C)(C)C[NH3+] ZINC000224618817 388666988 /nfs/dbraw/zinc/66/69/88/388666988.db2.gz MENHPUONKRSVCK-JTQLQIEISA-N 2 0 216.394 1.656 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](C)OC)[C@H](C)C1 ZINC000248416164 388679353 /nfs/dbraw/zinc/67/93/53/388679353.db2.gz IOFRTIOQOZPPFE-AGIUHOORSA-N 2 0 228.380 1.683 20 0 BDADRP CO[C@@H](C)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000248455871 388681335 /nfs/dbraw/zinc/68/13/35/388681335.db2.gz ZXSAYAPZPNXNSJ-RYUDHWBXSA-N 2 0 214.353 1.295 20 0 BDADRP CCC[C@H](C[NH2+][C@@H]1CCC[C@H]1[NH3+])OCC ZINC000530206719 388626677 /nfs/dbraw/zinc/62/66/77/388626677.db2.gz BJJQZHYRYXOYSC-IJLUTSLNSA-N 2 0 214.353 1.661 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000530217049 388630739 /nfs/dbraw/zinc/63/07/39/388630739.db2.gz RVTXAMBJAZUAPJ-UPJWGTAASA-N 2 0 237.391 1.521 20 0 BDADRP CC1(C)CC(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000530219010 388632208 /nfs/dbraw/zinc/63/22/08/388632208.db2.gz IMQRHQXIYVXWFQ-OLZOCXBDSA-N 2 0 222.376 1.964 20 0 BDADRP CC[NH2+]CCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000521858917 388634794 /nfs/dbraw/zinc/63/47/94/388634794.db2.gz BGCLEAPTXUDKMB-MJBXVCDLSA-N 2 0 239.407 1.496 20 0 BDADRP COC[C@@H](C)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530245360 388639109 /nfs/dbraw/zinc/63/91/09/388639109.db2.gz WOQSXJGNZPETJE-WDEREUQCSA-N 2 0 212.337 1.143 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+]Cc1cnc(C)n1C ZINC000521900425 388640355 /nfs/dbraw/zinc/64/03/55/388640355.db2.gz MCVSMTHYJKFOAO-VXGBXAGGSA-N 2 0 223.320 1.386 20 0 BDADRP C[N@@H+](C[C@H]1CCCCO1)C[C@H]1CCC[NH+](C)C1 ZINC000246682718 388648834 /nfs/dbraw/zinc/64/88/34/388648834.db2.gz BDVHJRWKFSPLOB-UONOGXRCSA-N 2 0 240.391 1.829 20 0 BDADRP COC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000223209112 388649307 /nfs/dbraw/zinc/64/93/07/388649307.db2.gz AJCQAEFGJDTUQY-OLZOCXBDSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H](O)C(C)(C)C ZINC000223534135 388654471 /nfs/dbraw/zinc/65/44/71/388654471.db2.gz QTHJVLOOGNIUDR-GRYCIOLGSA-N 2 0 228.380 1.323 20 0 BDADRP C[C@H](C[NH2+][C@H](C)[C@H]1CCOC1)C[NH+]1CCCC1 ZINC000246946607 388654624 /nfs/dbraw/zinc/65/46/24/388654624.db2.gz HVGJPHPBMFMEEN-MCIONIFRSA-N 2 0 240.391 1.733 20 0 BDADRP Cc1nn(C)cc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000126026855 388685908 /nfs/dbraw/zinc/68/59/08/388685908.db2.gz ISEVWXAELKNJJZ-UHFFFAOYSA-N 2 0 236.363 1.160 20 0 BDADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](C)COC)C1 ZINC000249849082 388734037 /nfs/dbraw/zinc/73/40/37/388734037.db2.gz OZZAPYVEVAEXSY-KBPBESRZSA-N 2 0 242.407 1.933 20 0 BDADRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](C)COC)C1 ZINC000249942225 388735703 /nfs/dbraw/zinc/73/57/03/388735703.db2.gz TWPHLSBZCGCAJW-UONOGXRCSA-N 2 0 242.407 1.933 20 0 BDADRP CC(C)[C@@H](CO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128066297 388737567 /nfs/dbraw/zinc/73/75/67/388737567.db2.gz LRJTWZTUJXHHKO-JHJVBQTASA-N 2 0 226.364 1.220 20 0 BDADRP CC(C)[C@@H](CO)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250573352 388738009 /nfs/dbraw/zinc/73/80/09/388738009.db2.gz LRJTWZTUJXHHKO-RWMBFGLXSA-N 2 0 226.364 1.220 20 0 BDADRP CC(C)[C@@H](CO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250572574 388738082 /nfs/dbraw/zinc/73/80/82/388738082.db2.gz LRJTWZTUJXHHKO-FRRDWIJNSA-N 2 0 226.364 1.220 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCn1ccnc1 ZINC000128105518 388739174 /nfs/dbraw/zinc/73/91/74/388739174.db2.gz WPYFGEUTBKWEAK-OLZOCXBDSA-N 2 0 236.363 1.203 20 0 BDADRP CCSCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261527423 388742830 /nfs/dbraw/zinc/74/28/30/388742830.db2.gz BALVWQWTFLTEGA-DCAQKATOSA-N 2 0 214.378 1.409 20 0 BDADRP C[NH+](C)CCOCC[NH2+]Cc1ccsc1 ZINC000230004636 388810494 /nfs/dbraw/zinc/81/04/94/388810494.db2.gz HHQNERRYFZTNEQ-UHFFFAOYSA-N 2 0 228.361 1.416 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC3CCC3)C[C@@H]21 ZINC000230049398 388811987 /nfs/dbraw/zinc/81/19/87/388811987.db2.gz OPEVDMBEINCADF-RWMBFGLXSA-N 2 0 208.349 1.846 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCOC2)CC[N@@H+]1C ZINC000252203142 388761595 /nfs/dbraw/zinc/76/15/95/388761595.db2.gz WRECUQSEKWUBPY-UTUOFQBUSA-N 2 0 212.337 1.095 20 0 BDADRP C[C@H](O)CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000228027847 388765658 /nfs/dbraw/zinc/76/56/58/388765658.db2.gz XNKMSFVYEFTWKH-SDDRHHMPSA-N 2 0 214.353 1.220 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@]1(C)CCCO1 ZINC000252708589 388772153 /nfs/dbraw/zinc/77/21/53/388772153.db2.gz AMODOLHEMRSXOD-UPJWGTAASA-N 2 0 226.364 1.485 20 0 BDADRP CSC[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252703289 388772514 /nfs/dbraw/zinc/77/25/14/388772514.db2.gz QIMFCPBUIWBUOP-SRVKXCTJSA-N 2 0 228.405 1.954 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H](C)[C@@H]2CCOC2)CC1 ZINC000128582361 388773202 /nfs/dbraw/zinc/77/32/02/388773202.db2.gz JOTDWFFHVQGFMJ-CHWSQXEVSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)OCCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129643604 388861175 /nfs/dbraw/zinc/86/11/75/388861175.db2.gz GJGFFLYMULFCIK-CHWSQXEVSA-N 2 0 228.380 1.874 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1NCc1nnc(C2CC2)[nH]1 ZINC000564822874 388891142 /nfs/dbraw/zinc/89/11/42/388891142.db2.gz OPEJMLQATOLDHX-GHMZBOCLSA-N 2 0 249.362 1.432 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000564827786 388891270 /nfs/dbraw/zinc/89/12/70/388891270.db2.gz FUWATPUAUYMOJJ-ZOBORPQBSA-N 3 0 237.391 1.092 20 0 BDADRP C[NH2+]CCN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000564949963 388901014 /nfs/dbraw/zinc/90/10/14/388901014.db2.gz USHPFIFDIWNIAD-UHFFFAOYSA-N 2 0 249.358 1.040 20 0 BDADRP CCN(C)C[C@@H](O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000565159559 388919056 /nfs/dbraw/zinc/91/90/56/388919056.db2.gz ZYDBEDKIRSORIH-GRYCIOLGSA-N 2 0 214.353 1.172 20 0 BDADRP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@]1(C)CO ZINC000565645187 388959789 /nfs/dbraw/zinc/95/97/89/388959789.db2.gz FGGYGFZPSDFYTD-NWDGAFQWSA-N 2 0 214.353 1.207 20 0 BDADRP C[C@H]1C[C@H]([NH+]2CCSCC2)CC[NH2+]1 ZINC000575512073 389010369 /nfs/dbraw/zinc/01/03/69/389010369.db2.gz KNXDTVJNZSBNQJ-VHSXEESVSA-N 2 0 200.351 1.176 20 0 BDADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccncc1 ZINC000271085824 389018372 /nfs/dbraw/zinc/01/83/72/389018372.db2.gz TVFYYSBFGDFKQF-GFCCVEGCSA-N 2 0 249.358 1.189 20 0 BDADRP Cc1c([C@@H](C)[NH2+][C@H](C)CCCC[NH3+])cnn1C ZINC000336668199 177628431 /nfs/dbraw/zinc/62/84/31/177628431.db2.gz AFJXOYIJEBNUET-GHMZBOCLSA-N 2 0 238.379 1.897 20 0 BDADRP C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCCO1 ZINC000261580702 533364972 /nfs/dbraw/zinc/36/49/72/533364972.db2.gz NCOPPTUZYVTCDG-AGIUHOORSA-N 2 0 224.348 1.097 20 0 BDADRP C([C@H]1CCOC1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000257656230 533376546 /nfs/dbraw/zinc/37/65/46/533376546.db2.gz FIXAIPSXLUOUAO-GFCCVEGCSA-N 2 0 224.348 1.098 20 0 BDADRP CC(C)CC[N@H+](CCN1CC[NH2+]CC1)C1CC1 ZINC000109279668 166833908 /nfs/dbraw/zinc/83/39/08/166833908.db2.gz XSCPUXGZFYDUNF-UHFFFAOYSA-N 2 0 239.407 1.402 20 0 BDADRP Cc1cc(N2CC[NH+](C(C)C)CC2)cc[nH+]1 ZINC000274355072 132202982 /nfs/dbraw/zinc/20/29/82/132202982.db2.gz LRORYBNMTIVFKV-UHFFFAOYSA-N 2 0 219.332 1.920 20 0 BDADRP Cc1cc(N2CC[N@@H+](C)C[C@H]2C)cc[nH+]1 ZINC000336355691 132246816 /nfs/dbraw/zinc/24/68/16/132246816.db2.gz ARMQWHAWSCKVPR-LLVKDONJSA-N 2 0 205.305 1.530 20 0 BDADRP COc1c[nH+]ccc1N1CC[NH+](CC2CC2)CC1 ZINC000355645510 132270939 /nfs/dbraw/zinc/27/09/39/132270939.db2.gz DVJCIBYXPGAPKW-UHFFFAOYSA-N 2 0 247.342 1.622 20 0 BDADRP C[C@@H]1CN(C)C[C@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000336025596 134056725 /nfs/dbraw/zinc/05/67/25/134056725.db2.gz PHXGAQCNHCPFKU-BLYZHGLHSA-N 2 0 239.407 1.399 20 0 BDADRP C[C@@H](CCC1CC1)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000346532332 134090616 /nfs/dbraw/zinc/09/06/16/134090616.db2.gz MTYDNWIRXXJRPN-GXTWGEPZSA-N 2 0 240.391 1.611 20 0 BDADRP Cc1nn(C)cc1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000168681331 134241676 /nfs/dbraw/zinc/24/16/76/134241676.db2.gz YFFBARRGKHVFLG-YPMHNXCESA-N 2 0 236.363 1.336 20 0 BDADRP C[C@@H](O)C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000169237685 134250269 /nfs/dbraw/zinc/25/02/69/134250269.db2.gz USSFRRDPOWPLCP-ZHAHWJHGSA-N 2 0 206.289 1.102 20 0 BDADRP C[C@H]1CCCC[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000219325155 134281175 /nfs/dbraw/zinc/28/11/75/134281175.db2.gz VLCQGQFNKMBRLC-STQMWFEESA-N 2 0 228.380 1.733 20 0 BDADRP CCOC1CC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000219302647 134281507 /nfs/dbraw/zinc/28/15/07/134281507.db2.gz OAUHOBORBKAQTO-LJZITESISA-N 2 0 238.375 1.769 20 0 BDADRP CC(C)CC[C@H](C)[NH2+]CCOCC[NH+](C)C ZINC000219321485 134281549 /nfs/dbraw/zinc/28/15/49/134281549.db2.gz RRDNLASXTNRPKR-ZDUSSCGKSA-N 2 0 230.396 1.979 20 0 BDADRP Cc1cc(F)ccc1C[NH2+][C@@H](C)CC[NH3+] ZINC000220503546 134309080 /nfs/dbraw/zinc/30/90/80/134309080.db2.gz CODWNIWPXGNVCQ-JTQLQIEISA-N 2 0 210.296 1.961 20 0 BDADRP C1C[C@@H]2C[C@@H]([NH2+][C@@H]3C[C@H]4CC[C@@H]3O4)CC[N@@H+]2C1 ZINC000178958871 134313606 /nfs/dbraw/zinc/31/36/06/134313606.db2.gz BFROUUUEOMLWIE-MRTXSQPYSA-N 2 0 236.359 1.523 20 0 BDADRP COC1CC([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000220839222 134316021 /nfs/dbraw/zinc/31/60/21/134316021.db2.gz VJFBMXAZNVOTEJ-ZBOXLXRLSA-N 2 0 224.348 1.238 20 0 BDADRP COC1CC([NH2+]CCC2CC[NH+](C)CC2)C1 ZINC000221108513 134317367 /nfs/dbraw/zinc/31/73/67/134317367.db2.gz VAPFWPFSRHBZRH-UHFFFAOYSA-N 2 0 226.364 1.485 20 0 BDADRP CCC[C@@H](C)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000179308741 134320457 /nfs/dbraw/zinc/32/04/57/134320457.db2.gz RQFZTABLEMXOJL-CQSZACIVSA-N 2 0 241.423 1.744 20 0 BDADRP C[C@H](CC[S@](C)=O)[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000222256798 134330969 /nfs/dbraw/zinc/33/09/69/134330969.db2.gz CBJLDDMEJQEIHD-JBBSTSQOSA-N 2 0 246.420 1.216 20 0 BDADRP C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cn[nH]c1 ZINC000222460129 134332022 /nfs/dbraw/zinc/33/20/22/134332022.db2.gz JSPFEGMTNGCCNZ-CYZMBNFOSA-N 2 0 234.347 1.687 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)[C@@H]1CCOC1 ZINC000222830592 134335355 /nfs/dbraw/zinc/33/53/55/134335355.db2.gz RZJHVOKIWDMQHS-BFHYXJOUSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]1C[C@H]([NH2+][C@H](CO)CC(C)(C)C)CCN1C ZINC000181522271 134337520 /nfs/dbraw/zinc/33/75/20/134337520.db2.gz XFAPHODHPWZOMX-XQQFMLRXSA-N 2 0 242.407 1.856 20 0 BDADRP CO[C@H](C)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000182185735 134342420 /nfs/dbraw/zinc/34/24/20/134342420.db2.gz XVOSWJNALVZZBV-CHWSQXEVSA-N 2 0 226.364 1.439 20 0 BDADRP CC[C@H](CCO)[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000224015120 134344064 /nfs/dbraw/zinc/34/40/64/134344064.db2.gz BYFRJQGZPSPSDW-UMSGYPCISA-N 2 0 228.380 1.466 20 0 BDADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000227498819 134381238 /nfs/dbraw/zinc/38/12/38/134381238.db2.gz ATPNUPKSMCLMFD-STQMWFEESA-N 2 0 240.391 1.733 20 0 BDADRP CC(C)(C)[C@@H](CCO)[NH2+]C1CCC([NH3+])CC1 ZINC000231076699 134539241 /nfs/dbraw/zinc/53/92/41/134539241.db2.gz XFJXIIDROCHXPT-HTAVTVPLSA-N 2 0 228.380 1.643 20 0 BDADRP COCCCCC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000234631140 134581985 /nfs/dbraw/zinc/58/19/85/134581985.db2.gz ZLLBIQTZYZHOSA-RYUDHWBXSA-N 2 0 214.353 1.520 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)CC1CC1 ZINC000234799717 134583998 /nfs/dbraw/zinc/58/39/98/134583998.db2.gz NQRUUVQDCKSJFN-JQWIXIFHSA-N 2 0 214.353 1.519 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H](CC)COC)CC1 ZINC000070656307 135003803 /nfs/dbraw/zinc/00/38/03/135003803.db2.gz MTIFOIUSLVKRAK-GFCCVEGCSA-N 2 0 228.380 1.875 20 0 BDADRP CC[C@H](COC)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000070656801 135007873 /nfs/dbraw/zinc/00/78/73/135007873.db2.gz YOZXIHJQUCYXSM-QWHCGFSZSA-N 2 0 228.380 1.733 20 0 BDADRP Cc1cc(N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)cc[nH+]1 ZINC000248665019 135018244 /nfs/dbraw/zinc/01/82/44/135018244.db2.gz LBDCLPIPRXHCAW-OLZOCXBDSA-N 2 0 249.358 1.281 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCCOC1 ZINC000249685248 135044054 /nfs/dbraw/zinc/04/40/54/135044054.db2.gz MQDUWQXQEPACQP-SYQHCUMBSA-N 2 0 240.391 1.731 20 0 BDADRP CC[N@H+](C)CCN[C@@H]1C[C@H](C)[NH+](C)C[C@H]1C ZINC000249758555 135044371 /nfs/dbraw/zinc/04/43/71/135044371.db2.gz VPIWQBAQYPIIRB-FRRDWIJNSA-N 2 0 227.396 1.256 20 0 BDADRP Cc1cc(CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)on1 ZINC000249813888 135046460 /nfs/dbraw/zinc/04/64/60/135046460.db2.gz JPAPUAUKVZTNSQ-SUZMYJTESA-N 2 0 237.347 1.801 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCSC2)C1 ZINC000250229509 135050618 /nfs/dbraw/zinc/05/06/18/135050618.db2.gz FYNYSHHEZMSPSP-MNOVXSKESA-N 2 0 214.378 1.423 20 0 BDADRP c1cn(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000250249985 135051906 /nfs/dbraw/zinc/05/19/06/135051906.db2.gz ORZJBZHPQSLSCB-STQMWFEESA-N 3 0 234.347 1.100 20 0 BDADRP CC(C)(O)CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250373235 135052291 /nfs/dbraw/zinc/05/22/91/135052291.db2.gz XGXUYAWSZFAZRK-RYUDHWBXSA-N 2 0 226.364 1.364 20 0 BDADRP COC[C@H](C)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000251087306 135063733 /nfs/dbraw/zinc/06/37/33/135063733.db2.gz JJORUJZCSDZZPA-XJFOESAGSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@H](CCO)C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000251195098 135065843 /nfs/dbraw/zinc/06/58/43/135065843.db2.gz JUGVEPPFFCIUIB-HZSPNIEDSA-N 2 0 242.407 1.905 20 0 BDADRP C[C@H](CCO)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000251226528 135066095 /nfs/dbraw/zinc/06/60/95/135066095.db2.gz PIRXISANJDUUPT-WOPDTQHZSA-N 2 0 214.353 1.112 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C)CCOC)C1 ZINC000251254960 135066927 /nfs/dbraw/zinc/06/69/27/135066927.db2.gz VCAIRZKDYJJCIL-NEPJUHHUSA-N 2 0 214.353 1.343 20 0 BDADRP C([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCOC1 ZINC000251325695 135068249 /nfs/dbraw/zinc/06/82/49/135068249.db2.gz OQBXLCQPYUAFCY-FRRDWIJNSA-N 2 0 224.348 1.239 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)O1 ZINC000251762393 135076254 /nfs/dbraw/zinc/07/62/54/135076254.db2.gz KGRROGCMFNPWFZ-ZOBORPQBSA-N 2 0 238.375 1.770 20 0 BDADRP C[C@H]1CCCC[C@@H]1[N@H+](C)CCOCC[NH3+] ZINC000086435553 135084144 /nfs/dbraw/zinc/08/41/44/135084144.db2.gz CXAAFDIWBKRQLY-RYUDHWBXSA-N 2 0 214.353 1.472 20 0 BDADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCOCC[NH3+] ZINC000086435357 135084219 /nfs/dbraw/zinc/08/42/19/135084219.db2.gz YWQMVTYSKZQKFR-PHIMTYICSA-N 2 0 200.326 1.225 20 0 BDADRP [NH3+]CCOCC[NH+]1CCCCCCC1 ZINC000086435365 135084774 /nfs/dbraw/zinc/08/47/74/135084774.db2.gz PHDSUVLRVARQPI-UHFFFAOYSA-N 2 0 200.326 1.228 20 0 BDADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCC[NH3+] ZINC000086501011 135087147 /nfs/dbraw/zinc/08/71/47/135087147.db2.gz LNOBKBSHJOAXAE-NWDGAFQWSA-N 2 0 213.369 1.236 20 0 BDADRP CC(C)N(C)CC[NH2+]C1CCC([NH3+])CC1 ZINC000086729831 135094888 /nfs/dbraw/zinc/09/48/88/135094888.db2.gz GPENOAVBUICKJZ-UHFFFAOYSA-N 2 0 213.369 1.186 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252691601 135097171 /nfs/dbraw/zinc/09/71/71/135097171.db2.gz YMSOLVLADSQKEY-RNJOBUHISA-N 2 0 224.348 1.380 20 0 BDADRP CCC(O)(CC)C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252709124 135098413 /nfs/dbraw/zinc/09/84/13/135098413.db2.gz CBDZBYNSJHVBKC-VXGBXAGGSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@H](CC[NH+](C)C)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000252711132 135099353 /nfs/dbraw/zinc/09/93/53/135099353.db2.gz IPQUNRKRTJEZPF-FRRDWIJNSA-N 2 0 239.407 1.541 20 0 BDADRP CCC(CC)(CO)C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252730603 135103525 /nfs/dbraw/zinc/10/35/25/135103525.db2.gz MCIKLZZUXMBKOU-CHWSQXEVSA-N 2 0 242.407 1.715 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000252746574 135106332 /nfs/dbraw/zinc/10/63/32/135106332.db2.gz BNBMLJVEASXZRL-HTVCTNPSSA-N 2 0 240.391 1.656 20 0 BDADRP Cc1nc(C)c(C[NH2+]CC2CC[NH2+]CC2)s1 ZINC000261592678 135109811 /nfs/dbraw/zinc/10/98/11/135109811.db2.gz WAKYODSEXKGUHQ-UHFFFAOYSA-N 2 0 239.388 1.849 20 0 BDADRP C[C@H](O)[C@@H]1CC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000252787437 135110154 /nfs/dbraw/zinc/11/01/54/135110154.db2.gz WLLQAXFACSVMHP-BFHYXJOUSA-N 2 0 240.391 1.564 20 0 BDADRP CCCCOCC[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252790403 135110492 /nfs/dbraw/zinc/11/04/92/135110492.db2.gz YUBOLZSXFJALAC-RYUDHWBXSA-N 2 0 214.353 1.472 20 0 BDADRP CSC[C@H](C)[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000252917611 135116455 /nfs/dbraw/zinc/11/64/55/135116455.db2.gz XLVXGWUHFDDXOW-GUBZILKMSA-N 2 0 202.367 1.455 20 0 BDADRP [NH3+]CCN1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000262200111 135117088 /nfs/dbraw/zinc/11/70/88/135117088.db2.gz KHXZCCFZQZSIGB-GFCCVEGCSA-N 2 0 239.750 1.245 20 0 BDADRP Cc1cc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc[nH+]1 ZINC000252946069 135117519 /nfs/dbraw/zinc/11/75/19/135117519.db2.gz MIOCBLFRQGXEHJ-UONOGXRCSA-N 2 0 247.342 1.665 20 0 BDADRP CC(C)C[C@@H](C[NH3+])NC(=O)CCCCCC[NH3+] ZINC000262597585 135119729 /nfs/dbraw/zinc/11/97/29/135119729.db2.gz LNIUVGPYQSNLPD-LBPRGKRZSA-N 2 0 243.395 1.385 20 0 BDADRP C[N@H+](CCOCC1CC1)CC[C@H]1CC[NH2+]C1 ZINC000087399850 135128428 /nfs/dbraw/zinc/12/84/28/135128428.db2.gz MWXUVWUEPQVMJN-GFCCVEGCSA-N 2 0 226.364 1.344 20 0 BDADRP Cc1c[nH]nc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000257677572 135139482 /nfs/dbraw/zinc/13/94/82/135139482.db2.gz KCJGPEWYUFIJLS-UHFFFAOYSA-N 2 0 234.347 1.294 20 0 BDADRP C([C@H]1CCCOC1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000257698015 135140149 /nfs/dbraw/zinc/14/01/49/135140149.db2.gz PHYPWIXHVLGSNE-CYBMUJFWSA-N 2 0 238.375 1.489 20 0 BDADRP C[NH2+]CCCN(C)Cc1c(C)nn(C)c1C ZINC000087472250 135143018 /nfs/dbraw/zinc/14/30/18/135143018.db2.gz APZCTHMTXAFUGU-UHFFFAOYSA-N 2 0 224.352 1.078 20 0 BDADRP FCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000261529590 135156116 /nfs/dbraw/zinc/15/61/16/135156116.db2.gz UAMAXWQQEGXYOQ-AXFHLTTASA-N 2 0 200.301 1.466 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCSC1 ZINC000261529994 135156312 /nfs/dbraw/zinc/15/63/12/135156312.db2.gz WSAWIJNFIBIFSG-OUAUKWLOSA-N 2 0 214.378 1.457 20 0 BDADRP Cc1ccncc1CN1CC[C@@H]([NH3+])[C@@H]1C ZINC000261530652 135157924 /nfs/dbraw/zinc/15/79/24/135157924.db2.gz CZAOCFOYRKRCPG-CMPLNLGQSA-N 2 0 205.305 1.312 20 0 BDADRP c1cc(CN2CC[C@H]3[NH2+]CC[C@H]3C2)cs1 ZINC000261530514 135157943 /nfs/dbraw/zinc/15/79/43/135157943.db2.gz CPRNBDXBYPYFSM-NWDGAFQWSA-N 2 0 222.357 1.932 20 0 BDADRP CC[NH+](CC)CCCNC[C@H]1CCC[NH2+]C1 ZINC000087646032 135161407 /nfs/dbraw/zinc/16/14/07/135161407.db2.gz IPHJIXFMTJYJND-ZDUSSCGKSA-N 2 0 227.396 1.308 20 0 BDADRP CC[C@@H]1C[C@@H](C)C[N@@H+]1CCOCC[NH3+] ZINC000261532130 135162183 /nfs/dbraw/zinc/16/21/83/135162183.db2.gz JGWGEBSUFODTCK-GHMZBOCLSA-N 2 0 200.326 1.082 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000261532746 135163492 /nfs/dbraw/zinc/16/34/92/135163492.db2.gz DRIPTIKHSQPKGF-RWMBFGLXSA-N 2 0 227.396 1.434 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000261532747 135163679 /nfs/dbraw/zinc/16/36/79/135163679.db2.gz DRIPTIKHSQPKGF-XQQFMLRXSA-N 2 0 227.396 1.434 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCSC1 ZINC000261533599 135165315 /nfs/dbraw/zinc/16/53/15/135165315.db2.gz LBUAYSPCHPAQSE-WOPDTQHZSA-N 2 0 228.405 1.847 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+]C[C@H]2CCCCO2)CC[NH2+]1 ZINC000261534979 135169167 /nfs/dbraw/zinc/16/91/67/135169167.db2.gz VAUMYMISDRSWQE-JHJVBQTASA-N 2 0 226.364 1.533 20 0 BDADRP CN1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000261535276 135169327 /nfs/dbraw/zinc/16/93/27/135169327.db2.gz XTCSEBDHTWAFJC-YNEHKIRRSA-N 2 0 225.380 1.188 20 0 BDADRP CC[N@H+](CCN[C@@H]1CCC[C@H]1C[NH3+])C1CC1 ZINC000261535251 135169669 /nfs/dbraw/zinc/16/96/69/135169669.db2.gz XGKPLESKBAKPOU-WCQYABFASA-N 2 0 225.380 1.188 20 0 BDADRP c1csc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261535696 135170501 /nfs/dbraw/zinc/17/05/01/135170501.db2.gz PBIOFFALZDHCPV-MNOVXSKESA-N 2 0 222.357 1.789 20 0 BDADRP Cc1[nH+]ccc(N2C[C@@H](C)[C@H]([NH3+])C2)c1Cl ZINC000261535928 135170854 /nfs/dbraw/zinc/17/08/54/135170854.db2.gz PRNLKRTXDFZRHO-VXNVDRBHSA-N 2 0 225.723 1.827 20 0 BDADRP Cc1ccoc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000261536039 135171422 /nfs/dbraw/zinc/17/14/22/135171422.db2.gz QEJALCLUPQDGMA-WDEREUQCSA-N 2 0 208.305 1.805 20 0 BDADRP Cc1ccoc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000261536038 135171673 /nfs/dbraw/zinc/17/16/73/135171673.db2.gz QEJALCLUPQDGMA-QWRGUYRKSA-N 2 0 208.305 1.805 20 0 BDADRP COCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000261538038 135175595 /nfs/dbraw/zinc/17/55/95/135175595.db2.gz XFPKDULDMOARFQ-GHMZBOCLSA-N 2 0 214.353 1.376 20 0 BDADRP CO[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)CC[C@H]1C ZINC000261539614 135177615 /nfs/dbraw/zinc/17/76/15/135177615.db2.gz ALRGZEZXOAFTLY-TZMCWYRMSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](N(C)C)C2)CC[NH2+]1 ZINC000261539697 135178484 /nfs/dbraw/zinc/17/84/84/135178484.db2.gz BCMKPXANTOKINI-MCIONIFRSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@H](C)C1CCOCC1 ZINC000261540720 135180020 /nfs/dbraw/zinc/18/00/20/135180020.db2.gz HLAMFEXWTGGDFS-YRGRVCCFSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H](CN[C@@H]1CCCC[C@H]1C[NH3+])[N@H+](C)C1CC1 ZINC000261542533 135182989 /nfs/dbraw/zinc/18/29/89/135182989.db2.gz PHDPZPNPMHNUOS-MBNYWOFBSA-N 3 0 239.407 1.576 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@@H]12 ZINC000261542694 135183242 /nfs/dbraw/zinc/18/32/42/135183242.db2.gz CHQAVAFCLSQCNI-MRVWCRGKSA-N 2 0 234.318 1.995 20 0 BDADRP C[C@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)CCS1 ZINC000261542678 135183257 /nfs/dbraw/zinc/18/32/57/135183257.db2.gz HDPYCFWMQMUFLH-NWDGAFQWSA-N 2 0 228.405 1.813 20 0 BDADRP CO[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)[C@H](C)C1 ZINC000261544743 135185798 /nfs/dbraw/zinc/18/57/98/135185798.db2.gz ZNGNEZAWEMGFMP-REWJHTLYSA-N 2 0 240.391 1.874 20 0 BDADRP CC[N@H+](CCOCC[NH3+])Cc1ccccc1C ZINC000261544626 135185972 /nfs/dbraw/zinc/18/59/72/135185972.db2.gz FACJCJPJCYNQLU-UHFFFAOYSA-N 2 0 236.359 1.792 20 0 BDADRP CC(C)OCCC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000084218305 135192853 /nfs/dbraw/zinc/19/28/53/135192853.db2.gz KXJORORWEYVVLU-RYUDHWBXSA-N 2 0 214.353 1.519 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000084216512 135192982 /nfs/dbraw/zinc/19/29/82/135192982.db2.gz FQKLHZGOCVIWSP-RWMBFGLXSA-N 2 0 226.364 1.663 20 0 BDADRP Cc1ncccc1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000261553558 135193127 /nfs/dbraw/zinc/19/31/27/135193127.db2.gz OAFSIQZTEAWWCZ-NSHDSACASA-N 2 0 233.359 1.949 20 0 BDADRP CC[N@H+](CCOCC[NH3+])Cc1cccc(F)c1 ZINC000261553854 135193875 /nfs/dbraw/zinc/19/38/75/135193875.db2.gz OHROMYSJIQXWHS-UHFFFAOYSA-N 2 0 240.322 1.623 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2C)C1(C)C ZINC000261553885 135193999 /nfs/dbraw/zinc/19/39/99/135193999.db2.gz OJRYPNHWBUYXBT-ZDEQEGDKSA-N 2 0 240.391 1.778 20 0 BDADRP C[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)CCS1 ZINC000261553934 135194098 /nfs/dbraw/zinc/19/40/98/135194098.db2.gz SWTJQRRSKRTPLE-LLVKDONJSA-N 2 0 228.405 1.813 20 0 BDADRP CC(C)(C)CC[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261554562 135194475 /nfs/dbraw/zinc/19/44/75/135194475.db2.gz OYOPGQGLPOBPMD-CYBMUJFWSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@]1(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)CC[NH2+]C1 ZINC000261559021 135199680 /nfs/dbraw/zinc/19/96/80/135199680.db2.gz YUENVNYQGOSCKI-AVGNSLFASA-N 2 0 208.349 1.860 20 0 BDADRP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cn1 ZINC000261560167 135200998 /nfs/dbraw/zinc/20/09/98/135200998.db2.gz UGYPXYMGCCGBDF-MELADBBJSA-N 2 0 231.343 1.559 20 0 BDADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC000261560931 135202267 /nfs/dbraw/zinc/20/22/67/135202267.db2.gz AJHOVJJGRTYPPN-GXFFZTMASA-N 2 0 222.307 1.913 20 0 BDADRP C[C@@H]1C[C@@H]1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000261561237 135202702 /nfs/dbraw/zinc/20/27/02/135202702.db2.gz ANEJQRARWDNMBO-MLGHIDQZSA-N 2 0 208.349 1.702 20 0 BDADRP Oc1cccc(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261562186 135203799 /nfs/dbraw/zinc/20/37/99/135203799.db2.gz WATMDOKBIRQXSW-OCCSQVGLSA-N 2 0 232.327 1.576 20 0 BDADRP COCC1(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])CCC1 ZINC000261565340 135208068 /nfs/dbraw/zinc/20/80/68/135208068.db2.gz YESHHEZOPFKLMZ-QWHCGFSZSA-N 2 0 240.391 1.910 20 0 BDADRP CCOCC(C)(C)C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000261571296 135213232 /nfs/dbraw/zinc/21/32/32/135213232.db2.gz HKGRPIRNCGDFOI-NEPJUHHUSA-N 2 0 228.380 1.766 20 0 BDADRP Cc1ccc(O)c(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)n1 ZINC000261576530 135217602 /nfs/dbraw/zinc/21/76/02/135217602.db2.gz NSFGAICTQJHRCZ-NEPJUHHUSA-N 2 0 247.342 1.279 20 0 BDADRP [NH3+]C1(C[NH2+]CCc2ccccc2)CCC1 ZINC000261581395 135222467 /nfs/dbraw/zinc/22/24/67/135222467.db2.gz NOBSLWSIPBFQRI-UHFFFAOYSA-N 2 0 204.317 1.700 20 0 BDADRP CC1(C)C[N@H+](C[C@@H]2CCC[NH2+]C2)CC[C@@H]1O ZINC000261589398 135229857 /nfs/dbraw/zinc/22/98/57/135229857.db2.gz TXSJBVKHDCIDHU-NEPJUHHUSA-N 2 0 226.364 1.079 20 0 BDADRP COCc1cccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000261589241 135230297 /nfs/dbraw/zinc/23/02/97/135230297.db2.gz WDVOPRBXYWBQKU-WFASDCNBSA-N 2 0 248.370 1.921 20 0 BDADRP C(C1CCOCC1)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261591760 135232721 /nfs/dbraw/zinc/23/27/21/135232721.db2.gz VOURXFQZOGCXSH-CHWSQXEVSA-N 2 0 224.348 1.097 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000261595779 135236017 /nfs/dbraw/zinc/23/60/17/135236017.db2.gz YLVXPRZFJUJMTH-NEPJUHHUSA-N 2 0 212.337 1.084 20 0 BDADRP Cc1cc(C[NH2+]C[C@H]2CC[NH2+][C@H](C)C2)on1 ZINC000261728674 135248374 /nfs/dbraw/zinc/24/83/74/135248374.db2.gz ODOKIPLFGAXXRU-KOLCDFICSA-N 2 0 223.320 1.461 20 0 BDADRP COc1cc(CN(C)[C@H](C)C[NH3+])ccc1C ZINC000261747610 135249951 /nfs/dbraw/zinc/24/99/51/135249951.db2.gz BYIJMWLSFKDUMR-LLVKDONJSA-N 2 0 222.332 1.783 20 0 BDADRP COCC(C)(C)C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000261782189 135252594 /nfs/dbraw/zinc/25/25/94/135252594.db2.gz FNBZGENQCBBIKH-NWDGAFQWSA-N 2 0 228.380 1.718 20 0 BDADRP CC(C)([NH3+])CN1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000261805572 135254134 /nfs/dbraw/zinc/25/41/34/135254134.db2.gz HHFRPOJTTLPIPF-QWRGUYRKSA-N 2 0 228.380 1.453 20 0 BDADRP CN1CC[C@H]2CC[N@H+](CC3CC[NH2+]CC3)[C@H]2C1 ZINC000261803605 135254184 /nfs/dbraw/zinc/25/41/84/135254184.db2.gz HDHQBPMCOYMPGA-KBPBESRZSA-N 2 0 237.391 1.012 20 0 BDADRP CCOCC[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261814936 135255572 /nfs/dbraw/zinc/25/55/72/135255572.db2.gz RWLJRFFWVJOTRM-CABCVRRESA-N 2 0 248.370 1.697 20 0 BDADRP COC(=O)C(C)(C)CC[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000261831495 135255916 /nfs/dbraw/zinc/25/59/16/135255916.db2.gz JBVKQFVAPFAVNR-GHMZBOCLSA-N 2 0 242.363 1.245 20 0 BDADRP C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261831536 135256041 /nfs/dbraw/zinc/25/60/41/135256041.db2.gz JCDBMTOAFZEQDD-RQJABVFESA-N 2 0 240.391 1.467 20 0 BDADRP [NH3+]CC[C@H]1CCC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000261831522 135256052 /nfs/dbraw/zinc/25/60/52/135256052.db2.gz JBZSZPIBHHNCMD-CHWSQXEVSA-N 2 0 226.364 1.474 20 0 BDADRP [NH3+]CCN(Cc1ccccc1)CC1CC[NH2+]CC1 ZINC000261890773 135261040 /nfs/dbraw/zinc/26/10/40/135261040.db2.gz ZRRAMWPUKAVVCS-UHFFFAOYSA-N 2 0 247.386 1.447 20 0 BDADRP COC1CCC([N@H+](C)C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261909179 135261838 /nfs/dbraw/zinc/26/18/38/135261838.db2.gz XTZSMOBUVVTQJD-JXQTWKCFSA-N 2 0 240.391 1.875 20 0 BDADRP C[N@H+](CC[C@H]1CCCO1)C[C@]1(C)CC[NH2+]C1 ZINC000261948452 135264827 /nfs/dbraw/zinc/26/48/27/135264827.db2.gz FQPVHTSTAKKGPG-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP CCOC(=O)C[C@@H](C)[N@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000261953967 135266245 /nfs/dbraw/zinc/26/62/45/135266245.db2.gz GKFAVNJUEIDVRW-DGCLKSJQSA-N 2 0 242.363 1.260 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261960435 135267091 /nfs/dbraw/zinc/26/70/91/135267091.db2.gz KADGJCVIHMQVTE-WDEREUQCSA-N 2 0 241.379 1.138 20 0 BDADRP COC(=O)C(C)(C)CC[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000261975081 135268792 /nfs/dbraw/zinc/26/87/92/135268792.db2.gz QQXZKNKRAPZIBB-QWRGUYRKSA-N 2 0 242.363 1.245 20 0 BDADRP C[C@@H]([NH2+]C1CC[NH2+]CC1)[C@H]1CCCCO1 ZINC000261986189 135269339 /nfs/dbraw/zinc/26/93/39/135269339.db2.gz JZELNBBXCIQSQE-ZYHUDNBSSA-N 2 0 212.337 1.286 20 0 BDADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)[C@H]1CCCCO1 ZINC000262002014 135271098 /nfs/dbraw/zinc/27/10/98/135271098.db2.gz PWETVTIEYGOUDY-YWPUVAFDSA-N 2 0 226.364 1.804 20 0 BDADRP CC(C)[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000262014799 135272967 /nfs/dbraw/zinc/27/29/67/135272967.db2.gz VLRDSYGVLDDKLT-CYBMUJFWSA-N 2 0 226.364 1.343 20 0 BDADRP CCCC[N@H+](C)C[C@@H](C)NCc1nccn1C ZINC000342426777 135273397 /nfs/dbraw/zinc/27/33/97/135273397.db2.gz XNIYYCUMNJNUBM-GFCCVEGCSA-N 2 0 238.379 1.630 20 0 BDADRP Cc1ccncc1CN(C)C[C@]1(C)CC[NH2+]C1 ZINC000262029477 135274260 /nfs/dbraw/zinc/27/42/60/135274260.db2.gz NYKIDURNCLAPMQ-CQSZACIVSA-N 2 0 233.359 1.821 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000262048796 135275760 /nfs/dbraw/zinc/27/57/60/135275760.db2.gz ZJEOWIZEATZPEG-NWDGAFQWSA-N 2 0 226.364 1.472 20 0 BDADRP Cn1cc([C@H]2CC[N@H+](C[C@]3(C)CC[NH2+]C3)C2)cn1 ZINC000262103494 135278487 /nfs/dbraw/zinc/27/84/87/135278487.db2.gz VTZBFOCCVLKTMC-GXTWGEPZSA-N 2 0 248.374 1.209 20 0 BDADRP C[C@H](O)C[C@H]1CCC[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000262100134 135278912 /nfs/dbraw/zinc/27/89/12/135278912.db2.gz VMROVTRTOHFYGP-XQQFMLRXSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@]1(C[N@@H+]2CCOCC3(CC3)C2)CC[NH2+]C1 ZINC000262115614 135279219 /nfs/dbraw/zinc/27/92/19/135279219.db2.gz WVIQVRNVVRBNNY-LBPRGKRZSA-N 2 0 224.348 1.098 20 0 BDADRP C[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)[C@@H]1CN ZINC000262116245 135279497 /nfs/dbraw/zinc/27/94/97/135279497.db2.gz BKTBOXSDUBHWMS-WCQYABFASA-N 2 0 225.380 1.045 20 0 BDADRP Cc1cccc(C)c1OCC[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000262134081 135281157 /nfs/dbraw/zinc/28/11/57/135281157.db2.gz OLRYKGHWMXYEPH-CQSZACIVSA-N 2 0 248.370 1.963 20 0 BDADRP [NH3+]CCN1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000262200113 135289493 /nfs/dbraw/zinc/28/94/93/135289493.db2.gz KHXZCCFZQZSIGB-LBPRGKRZSA-N 2 0 239.750 1.245 20 0 BDADRP C([C@H]1CCC[NH2+]C1)N1CC[NH+](C2CCC2)CC1 ZINC000262283709 135289579 /nfs/dbraw/zinc/28/95/79/135289579.db2.gz VDNVXTMSPKNRFJ-ZDUSSCGKSA-N 2 0 237.391 1.156 20 0 BDADRP C[N@H+](CC1CC[NH2+]CC1)C[C@H]1CCCC[C@@H]1O ZINC000262288855 135290299 /nfs/dbraw/zinc/29/02/99/135290299.db2.gz VUCZFVXYVPGQQJ-KGLIPLIRSA-N 2 0 240.391 1.469 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262407544 135295198 /nfs/dbraw/zinc/29/51/98/135295198.db2.gz RWQQKBPKVPAIJS-SDDRHHMPSA-N 2 0 241.379 1.008 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000262431670 135297184 /nfs/dbraw/zinc/29/71/84/135297184.db2.gz KAOAOJAUYVDFSI-GFCCVEGCSA-N 2 0 249.358 1.320 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CCC1(C)C)N1CC[NH+](C)CC1 ZINC000342699264 135306498 /nfs/dbraw/zinc/30/64/98/135306498.db2.gz NXSAMXDTPYKQHO-CHWSQXEVSA-N 2 0 239.407 1.401 20 0 BDADRP CCC1CC([NH2+][C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000342741114 135309943 /nfs/dbraw/zinc/30/99/43/135309943.db2.gz WQEYHKOTATWGKB-HSBZDZAISA-N 2 0 239.407 1.401 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000342752431 135311024 /nfs/dbraw/zinc/31/10/24/135311024.db2.gz OVDAUHUMQALNDG-CHWSQXEVSA-N 2 0 241.379 1.010 20 0 BDADRP Cc1cnc(CN2CC[N@H+](C)CC2(C)C)n1C ZINC000342778196 135317374 /nfs/dbraw/zinc/31/73/74/135317374.db2.gz KMYZNGHUYXSGAW-UHFFFAOYSA-N 2 0 236.363 1.255 20 0 BDADRP CC1(C)CCC[N@H+](CCNC2=[NH+]CCCN2)C1 ZINC000262896573 135323091 /nfs/dbraw/zinc/32/30/91/135323091.db2.gz HOLOAHQHUZDUPE-UHFFFAOYSA-N 2 0 238.379 1.047 20 0 BDADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC[NH3+])C1 ZINC000263062627 135330786 /nfs/dbraw/zinc/33/07/86/135330786.db2.gz VMHNMYDUWDQRBH-ZIAGYGMSSA-N 2 0 239.407 1.532 20 0 BDADRP CCc1nocc1CN1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000334294746 135341269 /nfs/dbraw/zinc/34/12/69/135341269.db2.gz UTAQETTUHGQISZ-FZMZJTMJSA-N 2 0 249.358 1.763 20 0 BDADRP Cn1nccc1CN1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000334410647 135392530 /nfs/dbraw/zinc/39/25/30/135392530.db2.gz KPBNYZXEJHPQPA-JSGCOSHPSA-N 2 0 248.374 1.336 20 0 BDADRP COC[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000093453026 135597430 /nfs/dbraw/zinc/59/74/30/135597430.db2.gz JJORUJZCSDZZPA-YIYPIFLZSA-N 2 0 240.391 1.779 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@@H]2CCC[C@@H]2F)CC1 ZINC000335010003 135865006 /nfs/dbraw/zinc/86/50/06/135865006.db2.gz ZKZSZDXZBAKIQH-MMVSWEMESA-N 2 0 214.328 1.984 20 0 BDADRP C[C@@H]1CSC[C@@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000335025340 135866963 /nfs/dbraw/zinc/86/69/63/135866963.db2.gz IXVDUTKZQYAUST-YYJSSNLHSA-N 2 0 228.405 1.845 20 0 BDADRP C[C@@H]1CCCN(C[C@H]2CCC[NH2+]C2)[C@@H]1C[NH3+] ZINC000346994084 135987935 /nfs/dbraw/zinc/98/79/35/135987935.db2.gz BDKGYACNJONEKD-FRRDWIJNSA-N 2 0 225.380 1.045 20 0 BDADRP CC(C)C[C@@H](C)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000347884758 136014927 /nfs/dbraw/zinc/01/49/27/136014927.db2.gz YEGXIBFCXAHMHD-KGLIPLIRSA-N 2 0 242.407 1.715 20 0 BDADRP [NH3+][C@@H]1CCCN(Cc2cccc3c[nH]nc32)C1 ZINC000335335041 136055535 /nfs/dbraw/zinc/05/55/35/136055535.db2.gz MCSVFEAWORXUPG-GFCCVEGCSA-N 2 0 230.315 1.486 20 0 BDADRP c1cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)on1 ZINC000335340296 136063892 /nfs/dbraw/zinc/06/38/92/136063892.db2.gz GOBCWDAVXPSMIL-GFCCVEGCSA-N 2 0 235.331 1.496 20 0 BDADRP CC1(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])CC[NH2+]CC1 ZINC000335567216 136108081 /nfs/dbraw/zinc/10/80/81/136108081.db2.gz DUIIJKAFIHLXCX-CHWSQXEVSA-N 3 0 239.407 1.626 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)c2nccn21 ZINC000335567855 136108194 /nfs/dbraw/zinc/10/81/94/136108194.db2.gz GKBKYEFNWWIWGF-NWDGAFQWSA-N 2 0 248.374 1.868 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H](C)[NH2+]C ZINC000054071614 322855261 /nfs/dbraw/zinc/85/52/61/322855261.db2.gz RMNCPBVKYNJEOX-RYUDHWBXSA-N 2 0 243.395 1.221 20 0 BDADRP C[C@H](C[NH3+])C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000054339701 322856142 /nfs/dbraw/zinc/85/61/42/322856142.db2.gz QTOTVPGUPXKCPU-SNVBAGLBSA-N 2 0 235.331 1.282 20 0 BDADRP C[NH+](C)CCCC[NH2+]CCC1CCOCC1 ZINC000381514182 397737450 /nfs/dbraw/zinc/73/74/50/397737450.db2.gz ZGDQDJBXCWVJMU-UHFFFAOYSA-N 2 0 228.380 1.735 20 0 BDADRP CN(CC[C@H]1CCCC[N@@H+]1C)C[C@@H]1CC[NH2+]C1 ZINC000382753127 397897076 /nfs/dbraw/zinc/89/70/76/397897076.db2.gz IYBGZFSBZMPRGT-ZIAGYGMSSA-N 2 0 239.407 1.402 20 0 BDADRP C[NH+]1CCC[C@@H]1CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000649617654 398000179 /nfs/dbraw/zinc/00/01/79/398000179.db2.gz RYQLYYFEVCIZNT-ZIAGYGMSSA-N 2 0 237.391 1.108 20 0 BDADRP C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)[C@H]1CCCC[NH2+]1 ZINC000564824540 398045715 /nfs/dbraw/zinc/04/57/15/398045715.db2.gz IFGYKDRFNMDHLQ-HZSPNIEDSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+]CCC1CC[NH+](C)CC1 ZINC000121005387 398002158 /nfs/dbraw/zinc/00/21/58/398002158.db2.gz JRVZZUKGVHNUEP-AAEUAGOBSA-N 2 0 226.364 1.485 20 0 BDADRP COc1ccc([C@@H]2CC[N@H+](CCC[NH3+])C2)cc1 ZINC000414689760 398019598 /nfs/dbraw/zinc/01/95/98/398019598.db2.gz GVTYXRQFLGYHRV-CYBMUJFWSA-N 2 0 234.343 1.833 20 0 BDADRP CO[C@H](C)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000373311680 398020565 /nfs/dbraw/zinc/02/05/65/398020565.db2.gz SUGAUWDUUGACDU-SYQHCUMBSA-N 2 0 238.375 1.437 20 0 BDADRP Cc1ccc(O)c(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)n1 ZINC000278605513 398040172 /nfs/dbraw/zinc/04/01/72/398040172.db2.gz JBLPIRIETHHJGV-TXEJJXNPSA-N 2 0 247.342 1.089 20 0 BDADRP COCc1ccc(CN2CC[C@H]([NH3+])C[C@H]2C)o1 ZINC000382767389 397972074 /nfs/dbraw/zinc/97/20/74/397972074.db2.gz UDJDHAOOKBWOBC-MNOVXSKESA-N 2 0 238.331 1.738 20 0 BDADRP COCc1ccc(CN2CC[C@@H]([NH3+])C[C@@H]2C)o1 ZINC000382767391 397972381 /nfs/dbraw/zinc/97/23/81/397972381.db2.gz UDJDHAOOKBWOBC-WDEREUQCSA-N 2 0 238.331 1.738 20 0 BDADRP Nc1cc[nH+]cc1-c1cccc2c1CC[NH2+]C2 ZINC000164661616 398042404 /nfs/dbraw/zinc/04/24/04/398042404.db2.gz SSGMDYCEUODKAE-UHFFFAOYSA-N 2 0 225.295 1.977 20 0 BDADRP C[C@H](CC1CCOCC1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414857832 398065967 /nfs/dbraw/zinc/06/59/67/398065967.db2.gz QHMDMVWCYQYPRN-OCCSQVGLSA-N 2 0 240.391 1.781 20 0 BDADRP CC[N@@H+]1CC[C@H](N[C@@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000414860256 398066715 /nfs/dbraw/zinc/06/67/15/398066715.db2.gz CFXRFLQTAJEATB-XQQFMLRXSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@H]1CCC[C@@H](C[NH2+]CCN2CC[NH2+]CC2)C1 ZINC000414887989 398082769 /nfs/dbraw/zinc/08/27/69/398082769.db2.gz RPLTZLHPENXDCM-UONOGXRCSA-N 2 0 239.407 1.308 20 0 BDADRP C[C@@H](O)CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062034417 398110186 /nfs/dbraw/zinc/11/01/86/398110186.db2.gz NFQGOAGKOYYOTJ-CYBMUJFWSA-N 2 0 240.391 1.565 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CCCOCC2)CCC[NH2+]C1 ZINC000334873909 398113310 /nfs/dbraw/zinc/11/33/10/398113310.db2.gz KNKIBBFNNDXBRR-OLZOCXBDSA-N 2 0 226.364 1.535 20 0 BDADRP COCC[NH+]1CCC(Nc2cc[nH+]c(C)c2)CC1 ZINC000220937981 398113935 /nfs/dbraw/zinc/11/39/35/398113935.db2.gz ZIXOAZFSUUCSTR-UHFFFAOYSA-N 2 0 249.358 1.913 20 0 BDADRP C(C[NH2+]C[C@H]1CCSC1)C[C@H]1CCC[NH2+]1 ZINC000414969853 398131286 /nfs/dbraw/zinc/13/12/86/398131286.db2.gz UHEARNWMKNPBSE-NEPJUHHUSA-N 2 0 228.405 1.861 20 0 BDADRP CCC[C@H](C)C[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000414948284 398122708 /nfs/dbraw/zinc/12/27/08/398122708.db2.gz WYQCWYMMPBUXLR-QWHCGFSZSA-N 2 0 228.380 1.781 20 0 BDADRP c1cc2c(cc1C[NH+]1CCCC1)C[NH2+]CC2 ZINC000128521701 322863742 /nfs/dbraw/zinc/86/37/42/322863742.db2.gz YWTRDXASJMMSCT-UHFFFAOYSA-N 2 0 216.328 1.928 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@H]2CCC[NH2+]CC2)O1 ZINC000398107441 322864219 /nfs/dbraw/zinc/86/42/19/322864219.db2.gz AHZUEXCNMGWYCV-GRYCIOLGSA-N 2 0 212.337 1.286 20 0 BDADRP CC(C)[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000360928408 167030142 /nfs/dbraw/zinc/03/01/42/167030142.db2.gz UBACTOHFIHUTLQ-YNEHKIRRSA-N 2 0 208.349 1.811 20 0 BDADRP COc1ccc(C)cc1C[NH2+]C[C@@H](C)C[NH3+] ZINC000258675781 322876005 /nfs/dbraw/zinc/87/60/05/322876005.db2.gz DHQZEIKLDDLZAY-NSHDSACASA-N 2 0 222.332 1.688 20 0 BDADRP Cc1ccc(C[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000258733861 322876956 /nfs/dbraw/zinc/87/69/56/322876956.db2.gz VLHFWPRWEKAPRB-UHFFFAOYSA-N 2 0 247.386 1.380 20 0 BDADRP C([C@@H]1CC[N@@H+]([C@@H]2CCCOC2)C1)[NH+]1CCCC1 ZINC000674303620 487557695 /nfs/dbraw/zinc/55/76/95/487557695.db2.gz XNXJZJVWYMVRMH-UONOGXRCSA-N 2 0 238.375 1.583 20 0 BDADRP C([C@H]1CC[N@@H+]([C@H]2CCCOC2)C1)[NH+]1CCCC1 ZINC000674303619 487558034 /nfs/dbraw/zinc/55/80/34/487558034.db2.gz XNXJZJVWYMVRMH-KGLIPLIRSA-N 2 0 238.375 1.583 20 0 BDADRP CC[C@@H]1CCC[C@H](C)[N@@H+]1CCN1CC[NH2+]CC1 ZINC000662320281 487560305 /nfs/dbraw/zinc/56/03/05/487560305.db2.gz SPKPYHGVBYUPGY-UONOGXRCSA-N 2 0 239.407 1.545 20 0 BDADRP CC(C)OCCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342088824 167218208 /nfs/dbraw/zinc/21/82/08/167218208.db2.gz AQVODVWQMOYNSS-BFHYXJOUSA-N 2 0 240.391 1.861 20 0 BDADRP CC[C@@H]1CO[C@@H](CC)C[N@@H+]1CC1CC[NH2+]CC1 ZINC000403806397 409534719 /nfs/dbraw/zinc/53/47/19/409534719.db2.gz LPHYOLWQBDUJBV-KGLIPLIRSA-N 2 0 240.391 1.875 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](C[C@H](OC)C2CCC2)C1 ZINC000662247163 409546365 /nfs/dbraw/zinc/54/63/65/409546365.db2.gz UKRGGAIIMMZYNE-YPMHNXCESA-N 2 0 226.364 1.343 20 0 BDADRP CCC[N@H+](CC)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249536 409548810 /nfs/dbraw/zinc/54/88/10/409548810.db2.gz WLDCPLZGJNNMKZ-NSHDSACASA-N 2 0 212.337 1.239 20 0 BDADRP C([C@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CCC2(CCC2)C1 ZINC000662255361 409551130 /nfs/dbraw/zinc/55/11/30/409551130.db2.gz OUOPRXKJMGEWIK-GFCCVEGCSA-N 2 0 236.359 1.383 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)CC1=CCCOC1 ZINC000662304913 409628640 /nfs/dbraw/zinc/62/86/40/409628640.db2.gz DHTSZEQDSHFBLC-ZDUSSCGKSA-N 2 0 238.375 1.655 20 0 BDADRP CCC1(CC)CCC[N@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000662308599 409633252 /nfs/dbraw/zinc/63/32/52/409633252.db2.gz BTJHVCGSXTVLLI-CYBMUJFWSA-N 2 0 242.407 1.859 20 0 BDADRP C[C@@]12COC[C@H]1C[N@H+](CCC1CC[NH2+]CC1)C2 ZINC000662310197 409633315 /nfs/dbraw/zinc/63/33/15/409633315.db2.gz HPYROSCTNAMCAI-ZIAGYGMSSA-N 2 0 238.375 1.344 20 0 BDADRP C[N@@H+](CC1=CCSC1)C[C@H]1CCC[NH2+]C1 ZINC000662326781 409642626 /nfs/dbraw/zinc/64/26/26/409642626.db2.gz BWIBNYZWUWUVTF-NSHDSACASA-N 2 0 226.389 1.591 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCO[C@H]1CC1(F)F ZINC000662276550 409590877 /nfs/dbraw/zinc/59/08/77/409590877.db2.gz KHKVJLARXLQVKN-ZJUUUORDSA-N 2 0 248.317 1.388 20 0 BDADRP C[C@@H]1CCCN(C(=O)CCCC[NH3+])[C@@H]1CC[NH3+] ZINC000653240841 410181384 /nfs/dbraw/zinc/18/13/84/410181384.db2.gz TYCWWVAHMHZHRU-VXGBXAGGSA-N 2 0 241.379 1.091 20 0 BDADRP COCCCC[NH+]1CCC(C)([NH3+])CC1 ZINC000309107081 410248943 /nfs/dbraw/zinc/24/89/43/410248943.db2.gz IKIHNBYRFHKMJL-UHFFFAOYSA-N 2 0 200.326 1.226 20 0 BDADRP CC1(C)CC[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC000663498129 410276316 /nfs/dbraw/zinc/27/63/16/410276316.db2.gz MCJPXMAXXBILCS-QWKFWESOSA-N 2 0 208.349 1.907 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000663501606 410277413 /nfs/dbraw/zinc/27/74/13/410277413.db2.gz ABGLBLSBAJOEGJ-YNEHKIRRSA-N 2 0 227.396 1.480 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)NCCC1CC[NH2+]CC1 ZINC000653268645 410322790 /nfs/dbraw/zinc/32/27/90/410322790.db2.gz YAFPFZKGPMMHKS-CYBMUJFWSA-N 2 0 241.379 1.010 20 0 BDADRP CC(C)C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707257 410337742 /nfs/dbraw/zinc/33/77/42/410337742.db2.gz BVMLLJFRBGZEMV-BFHYXJOUSA-N 2 0 240.391 1.861 20 0 BDADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000650709372 410339787 /nfs/dbraw/zinc/33/97/87/410339787.db2.gz WPUIXXVVFOLEOH-RDBSUJKOSA-N 3 0 237.391 1.047 20 0 BDADRP C[C@H]1CCC[N@H+](Cc2ccc(N)nc2)[C@H]1CC[NH3+] ZINC000650712282 410342452 /nfs/dbraw/zinc/34/24/52/410342452.db2.gz ZBYOMUSONGPRQO-AAEUAGOBSA-N 2 0 248.374 1.443 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650714107 410347156 /nfs/dbraw/zinc/34/71/56/410347156.db2.gz RLSNTVSNMKKYFD-VXGBXAGGSA-N 3 0 225.380 1.236 20 0 BDADRP C[C@H]1C[N@H+](CC2CC[NH2+]CC2)C2(CCC2)CO1 ZINC000650720276 410357744 /nfs/dbraw/zinc/35/77/44/410357744.db2.gz KJRNJVHXKWDIOL-LBPRGKRZSA-N 2 0 238.375 1.629 20 0 BDADRP CN(CC[NH+]1CCCCC1)C[C@]1(C)CC[NH2+]C1 ZINC000650725310 410363615 /nfs/dbraw/zinc/36/36/15/410363615.db2.gz XTFXLHUMVKSZEH-CQSZACIVSA-N 2 0 239.407 1.404 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000650743558 410377230 /nfs/dbraw/zinc/37/72/30/410377230.db2.gz WIHSPPYEXLUUQT-KKOKHZNYSA-N 2 0 212.337 1.413 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCC2(C[NH3+])CC2)CC[N@@H+]1C ZINC000650744590 410381277 /nfs/dbraw/zinc/38/12/77/410381277.db2.gz RILJYGNFQLWRGG-RYUDHWBXSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)[C@@H]1CCCO1 ZINC000650746860 410385154 /nfs/dbraw/zinc/38/51/54/410385154.db2.gz MKXQDDNSMHTYGH-QWRGUYRKSA-N 2 0 212.337 1.273 20 0 BDADRP [NH3+]CC1(CC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000650747523 410387467 /nfs/dbraw/zinc/38/74/67/410387467.db2.gz BSYYBXZHBYFYIX-KGLIPLIRSA-N 3 0 245.370 1.850 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+]CCC2(C[NH3+])CC2)C1 ZINC000650747299 410388092 /nfs/dbraw/zinc/38/80/92/410388092.db2.gz WUQKDSUMQDFRAK-NEPJUHHUSA-N 2 0 226.364 1.663 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@H]1CNc2ccccc2C1 ZINC000650748097 410388150 /nfs/dbraw/zinc/38/81/50/410388150.db2.gz MZDJARFUQHXIOW-BZPMIXESSA-N 2 0 231.343 1.493 20 0 BDADRP [NH3+]CC1(CC[NH2+][C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000650748651 410390597 /nfs/dbraw/zinc/39/05/97/410390597.db2.gz YWJXASOXWJKIPA-NEPJUHHUSA-N 3 0 225.380 1.365 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)[C@H]1CCOC1 ZINC000650757901 410404165 /nfs/dbraw/zinc/40/41/65/410404165.db2.gz DOJSBXHDHDENJV-DOMZBBRYSA-N 2 0 248.370 1.921 20 0 BDADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccncn1 ZINC000650761724 410409086 /nfs/dbraw/zinc/40/90/86/410409086.db2.gz IPNJRLJAIDCCQH-LLVKDONJSA-N 2 0 234.347 1.517 20 0 BDADRP Cc1cccc(C)c1CN1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000130904570 410521077 /nfs/dbraw/zinc/52/10/77/410521077.db2.gz MCQNUFLIXKHFSN-UKRRQHHQSA-N 2 0 248.370 1.851 20 0 BDADRP CCCN1CC[C@@H]([NH2+][C@H](COC)C(C)C)C1 ZINC000328149608 487617176 /nfs/dbraw/zinc/61/71/76/487617176.db2.gz DCTWMWGLJLUQTD-CHWSQXEVSA-N 2 0 228.380 1.731 20 0 BDADRP CCC[N@H+](C)CC(C)(C)NC(=O)CC[C@@H](C)[NH3+] ZINC000664718690 410620503 /nfs/dbraw/zinc/62/05/03/410620503.db2.gz IBSCLBBVPCTNTH-LLVKDONJSA-N 2 0 243.395 1.350 20 0 BDADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1cccc(N)c1 ZINC000665232938 410723973 /nfs/dbraw/zinc/72/39/73/410723973.db2.gz YBINCJXNKAFNAZ-GDLCADMTSA-N 2 0 249.358 1.111 20 0 BDADRP C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)O1 ZINC000665265108 410736543 /nfs/dbraw/zinc/73/65/43/410736543.db2.gz PHTPUKKFJWYFOA-FVCCEPFGSA-N 2 0 226.364 1.804 20 0 BDADRP C[C@]1(CC[NH2+][C@@H]2CCC[C@H]2[NH3+])CC1(F)F ZINC000665266663 410739921 /nfs/dbraw/zinc/73/99/21/410739921.db2.gz HDMRCKCLZAYPFN-BBBLOLIVSA-N 2 0 218.291 1.891 20 0 BDADRP C1=C(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000665274241 410744005 /nfs/dbraw/zinc/74/40/05/410744005.db2.gz MFGZVSZPDBPRED-FUNVUKJBSA-N 2 0 206.333 1.969 20 0 BDADRP CC[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)C1CCC1 ZINC000665279567 410754786 /nfs/dbraw/zinc/75/47/86/410754786.db2.gz GFRWAUWPDYJEFY-YXMLORGKSA-N 2 0 208.349 1.907 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000393862718 410763014 /nfs/dbraw/zinc/76/30/14/410763014.db2.gz KOBDQQQFVFBZOC-MGPQQGTHSA-N 2 0 242.407 1.665 20 0 BDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCOCCF ZINC000665298819 410832651 /nfs/dbraw/zinc/83/26/51/410832651.db2.gz AIEOBAZHMGKZLD-CHWSQXEVSA-N 2 0 246.370 1.873 20 0 BDADRP CC(C)C[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000052379275 167004226 /nfs/dbraw/zinc/00/42/26/167004226.db2.gz IZWVTBSZXWUJEY-CYBMUJFWSA-N 2 0 227.396 1.116 20 0 BDADRP CC(C)OCC[N@H+](C)C1CC[NH2+]CC1 ZINC000049260890 167230072 /nfs/dbraw/zinc/23/00/72/167230072.db2.gz DEWDIPMCTDXDBZ-UHFFFAOYSA-N 2 0 200.326 1.095 20 0 BDADRP CC(C)[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000305164053 167380790 /nfs/dbraw/zinc/38/07/90/167380790.db2.gz XVDZVAPSAQFHPA-ZIAGYGMSSA-N 2 0 242.407 1.857 20 0 BDADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]([NH3+])CC(C)C ZINC000041680144 410933651 /nfs/dbraw/zinc/93/36/51/410933651.db2.gz VGWQSBKWXQLPJD-NWDGAFQWSA-N 2 0 243.395 1.206 20 0 BDADRP C[C@@H]1C[C@@H](NC[C@H]2CCCC[NH2+]2)CC[N@@H+]1C ZINC000300055901 411078016 /nfs/dbraw/zinc/07/80/16/411078016.db2.gz JQVNWBDCISTCRL-FRRDWIJNSA-N 2 0 225.380 1.201 20 0 BDADRP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCCCO1 ZINC000400934116 411162788 /nfs/dbraw/zinc/16/27/88/411162788.db2.gz JYBGSRJYNNNPMX-XJFOESAGSA-N 2 0 238.375 1.533 20 0 BDADRP C[N@H+](CC1CCOCC1)[C@@H]1CCC[NH2+]CC1 ZINC000082666941 411151559 /nfs/dbraw/zinc/15/15/59/411151559.db2.gz GOWFRVUQZACSSW-CYBMUJFWSA-N 2 0 226.364 1.487 20 0 BDADRP CC/C=C/C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400998194 411168710 /nfs/dbraw/zinc/16/87/10/411168710.db2.gz AIFGLNSYUPTUFU-ZUEAMBOYSA-N 2 0 208.349 1.930 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCCC[C@H]1CO ZINC000653783939 411170617 /nfs/dbraw/zinc/17/06/17/411170617.db2.gz YTZKUOPWVFZKQD-KBPBESRZSA-N 2 0 240.391 1.708 20 0 BDADRP COC1([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)CCC1 ZINC000657936564 411173306 /nfs/dbraw/zinc/17/33/06/411173306.db2.gz GHIOLEIZOSNUPP-GFCCVEGCSA-N 2 0 238.375 1.796 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401063814 411175572 /nfs/dbraw/zinc/17/55/72/411175572.db2.gz KLNJRYIJJAUEDR-LPWJVIDDSA-N 2 0 226.364 1.125 20 0 BDADRP OCCCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401091138 411177553 /nfs/dbraw/zinc/17/75/53/411177553.db2.gz XZEXFMAYPHEHFO-JHJVBQTASA-N 2 0 226.364 1.127 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCOC1 ZINC000401153466 411178122 /nfs/dbraw/zinc/17/81/22/411178122.db2.gz QFJFFWQJASLSEX-REWJHTLYSA-N 2 0 238.375 1.391 20 0 BDADRP C1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CS1 ZINC000401156955 411178582 /nfs/dbraw/zinc/17/85/82/411178582.db2.gz ROSKICJGMASUNK-KXNHARMFSA-N 2 0 226.389 1.470 20 0 BDADRP C1[NH2+]C[C@H]2C[C@H]([NH2+][C@@H]3CCCOCC3)CC[C@H]12 ZINC000401150851 411178713 /nfs/dbraw/zinc/17/87/13/411178713.db2.gz PJOODABQXWQOSJ-AAVRWANBSA-N 2 0 238.375 1.533 20 0 BDADRP C(CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C[NH+]1CCC1 ZINC000655754170 411183923 /nfs/dbraw/zinc/18/39/23/411183923.db2.gz LAPHFZGUIYGJOL-UONOGXRCSA-N 2 0 237.391 1.299 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC000656193033 411198487 /nfs/dbraw/zinc/19/84/87/411198487.db2.gz JEYROLRJAAZTRY-JHJVBQTASA-N 2 0 237.391 1.521 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H](N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000656193170 411199563 /nfs/dbraw/zinc/19/95/63/411199563.db2.gz WMLWPNDCSVZRLX-KKOKHZNYSA-N 2 0 211.353 1.116 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CC[C@@H](CO)CC2)C1 ZINC000656198153 411202879 /nfs/dbraw/zinc/20/28/79/411202879.db2.gz HUNOTZJMADKSIZ-FVCCEPFGSA-N 2 0 226.364 1.397 20 0 BDADRP CCC[N@@H+]1CC[C@H](CN[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000656198201 411202906 /nfs/dbraw/zinc/20/29/06/411202906.db2.gz MOSHYDYODLHDLB-MGPQQGTHSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656199707 411204119 /nfs/dbraw/zinc/20/41/19/411204119.db2.gz BFZHDRSRPXKUTP-KKOKHZNYSA-N 3 0 213.369 1.042 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cnccc1N ZINC000656199740 411204676 /nfs/dbraw/zinc/20/46/76/411204676.db2.gz BTWCENSWYDFZFS-SDDRHHMPSA-N 2 0 248.374 1.485 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656199709 411204776 /nfs/dbraw/zinc/20/47/76/411204776.db2.gz BFZHDRSRPXKUTP-WHOHXGKFSA-N 3 0 213.369 1.042 20 0 BDADRP COc1c(C)cccc1CN[C@H]1CCC[C@H]1[NH3+] ZINC000656201322 411205755 /nfs/dbraw/zinc/20/57/55/411205755.db2.gz VNHJBMNURRLFIC-OLZOCXBDSA-N 2 0 234.343 1.973 20 0 BDADRP C[C@H](N[C@H]1CCC[N@@H+]2CCCC[C@H]12)C1C[NH2+]C1 ZINC000656201458 411205840 /nfs/dbraw/zinc/20/58/40/411205840.db2.gz PKYZAKGYGITKMX-FPMFFAJLSA-N 2 0 237.391 1.201 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC000652340984 411205962 /nfs/dbraw/zinc/20/59/62/411205962.db2.gz RPZXHNFUOOJXEH-LBPRGKRZSA-N 2 0 248.374 1.390 20 0 BDADRP COC[C@H](CC(C)(C)C)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000656202160 411206353 /nfs/dbraw/zinc/20/63/53/411206353.db2.gz ZEHQTELIFROALT-PWSUYJOCSA-N 2 0 228.380 1.635 20 0 BDADRP C[C@H](N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C1C[NH2+]C1 ZINC000656201461 411206624 /nfs/dbraw/zinc/20/66/24/411206624.db2.gz PKYZAKGYGITKMX-UBHSHLNASA-N 2 0 237.391 1.201 20 0 BDADRP COC1([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CCC1 ZINC000658048383 411217972 /nfs/dbraw/zinc/21/79/72/411217972.db2.gz WCAKMNVBWKNMON-UPJWGTAASA-N 2 0 240.391 1.874 20 0 BDADRP CC(C)COCC[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000310188566 411219087 /nfs/dbraw/zinc/21/90/87/411219087.db2.gz YDZMSPGRBYXMAL-KBPBESRZSA-N 2 0 240.391 1.720 20 0 BDADRP C[C@H]1CSC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656269754 411219938 /nfs/dbraw/zinc/21/99/38/411219938.db2.gz UIIMLJCLPBMFQG-YFKTTZPYSA-N 2 0 228.405 1.668 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CO1 ZINC000402371357 411220336 /nfs/dbraw/zinc/22/03/36/411220336.db2.gz HBJAAYPXMWMIAW-VEGXAWMVSA-N 2 0 224.348 1.142 20 0 BDADRP COC[C@@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)C1CC1 ZINC000658056492 411222856 /nfs/dbraw/zinc/22/28/56/411222856.db2.gz LNIHEAFLWKNFRW-QWHCGFSZSA-N 2 0 240.391 1.874 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)C1CCCCC1 ZINC000310215237 411225177 /nfs/dbraw/zinc/22/51/77/411225177.db2.gz DZIGCZBIAKMASS-TZMCWYRMSA-N 2 0 242.407 1.857 20 0 BDADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccccn1)C2 ZINC000310420120 411236228 /nfs/dbraw/zinc/23/62/28/411236228.db2.gz NXAKSRZTUTWUIY-JSGCOSHPSA-N 2 0 231.343 1.642 20 0 BDADRP CC[C@@H]([NH2+]C[C@](C)(O)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000422976510 411236723 /nfs/dbraw/zinc/23/67/23/411236723.db2.gz IMWXTLPECJLNTH-AGIUHOORSA-N 2 0 226.364 1.268 20 0 BDADRP FCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400909852 411165632 /nfs/dbraw/zinc/16/56/32/411165632.db2.gz DVWXIDOAQTUQGT-HBNTYKKESA-N 2 0 200.301 1.324 20 0 BDADRP Cc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000400947882 411165747 /nfs/dbraw/zinc/16/57/47/411165747.db2.gz BAOPKSUQQPILDH-HZSPNIEDSA-N 2 0 245.370 1.868 20 0 BDADRP COCC(C)(C)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400958347 411166543 /nfs/dbraw/zinc/16/65/43/411166543.db2.gz KEZIKTXBBHEFPQ-FRRDWIJNSA-N 2 0 240.391 1.637 20 0 BDADRP COCC(C)(C)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400958353 411166743 /nfs/dbraw/zinc/16/67/43/411166743.db2.gz KEZIKTXBBHEFPQ-RWMBFGLXSA-N 2 0 240.391 1.637 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCCO1 ZINC000400971884 411167216 /nfs/dbraw/zinc/16/72/16/411167216.db2.gz MZBIGVLHPMIMAY-REWJHTLYSA-N 2 0 238.375 1.533 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400974097 411167466 /nfs/dbraw/zinc/16/74/66/411167466.db2.gz QYOFLCMVUSGZIA-ZOBORPQBSA-N 2 0 240.391 1.373 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCCO1 ZINC000400971548 411167581 /nfs/dbraw/zinc/16/75/81/411167581.db2.gz MZBIGVLHPMIMAY-AAVRWANBSA-N 2 0 238.375 1.533 20 0 BDADRP CCCCOCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400973551 411167873 /nfs/dbraw/zinc/16/78/73/411167873.db2.gz QNSXNWZBCFBCIY-MELADBBJSA-N 2 0 240.391 1.781 20 0 BDADRP CC[N@H+](CC[C@H]1CC[NH2+]C1)[C@H]1CCCOC1 ZINC000402615146 411278952 /nfs/dbraw/zinc/27/89/52/411278952.db2.gz RELBGGXPHCCDBX-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP C[NH2+]CCC1CC[NH+](C[C@@H]2CC[C@@H](C)O2)CC1 ZINC000129384924 411280977 /nfs/dbraw/zinc/28/09/77/411280977.db2.gz CKXOZHFZKCAUAS-OCCSQVGLSA-N 2 0 240.391 1.875 20 0 BDADRP C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC[NH2+]C1 ZINC000051890072 411285665 /nfs/dbraw/zinc/28/56/65/411285665.db2.gz UAIIAUXPCOZKKR-GFCCVEGCSA-N 2 0 222.307 1.867 20 0 BDADRP CC(C)(C)[N@@H+]1CC[C@H](CNC2=[NH+]CCCN2)C1 ZINC000656508690 411288920 /nfs/dbraw/zinc/28/89/20/411288920.db2.gz XNMHNRHQYFVSRK-LLVKDONJSA-N 2 0 238.379 1.046 20 0 BDADRP Cc1ccc(C)c(C[N@H+](C)CCOCC[NH3+])c1 ZINC000310066275 411322440 /nfs/dbraw/zinc/32/24/40/411322440.db2.gz KWAALUQYHRPNTC-UHFFFAOYSA-N 2 0 236.359 1.711 20 0 BDADRP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCCO1 ZINC000400964034 411325165 /nfs/dbraw/zinc/32/51/65/411325165.db2.gz MEHBKEOJUAULSB-RVMXOQNASA-N 2 0 224.348 1.143 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]C[C@H](C)C[NH+](C)C)CCO1 ZINC000309801970 411252801 /nfs/dbraw/zinc/25/28/01/411252801.db2.gz WRATVHIIMPGLIZ-YNEHKIRRSA-N 2 0 228.380 1.731 20 0 BDADRP CC1(C)CC[C@H]([NH2+]CCN2CC[NH2+]CC2)C1 ZINC000129588238 167940526 /nfs/dbraw/zinc/94/05/26/167940526.db2.gz IAFOXRGPXCZQFG-LBPRGKRZSA-N 2 0 225.380 1.060 20 0 BDADRP CC(C)(C)[NH+]1CCC([NH2+]C/C=C/CO)CC1 ZINC000658134486 411259816 /nfs/dbraw/zinc/25/98/16/411259816.db2.gz RCFXUADZTLMPMD-SNAWJCMRSA-N 2 0 226.364 1.387 20 0 BDADRP CN(Cc1ccc2c(c1)nnn2C)CC(C)(C)[NH3+] ZINC000656784213 411361624 /nfs/dbraw/zinc/36/16/24/411361624.db2.gz ZZQKXIJOXVDGHC-UHFFFAOYSA-N 2 0 247.346 1.137 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+](C)CC(C)(C)N)CC[NH2+]1 ZINC000656784629 411361754 /nfs/dbraw/zinc/36/17/54/411361754.db2.gz FZVZDASOAUKABQ-GHMZBOCLSA-N 2 0 213.369 1.044 20 0 BDADRP CC[C@H]([NH3+])CNCc1ccc2c(c1)C[NH2+]CC2 ZINC000656787038 411365759 /nfs/dbraw/zinc/36/57/59/411365759.db2.gz RUKJVHNPLRCKEM-AWEZNQCLSA-N 2 0 233.359 1.159 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@]23C[C@@H]2CCC3)CC[NH2+]1 ZINC000656787746 411367092 /nfs/dbraw/zinc/36/70/92/411367092.db2.gz UAYNWGGEPDSWBH-NDBYEHHHSA-N 2 0 208.349 1.907 20 0 BDADRP COC[C@@H](C)C[NH2+]CC1([NH3+])CCCC1 ZINC000656789282 411368974 /nfs/dbraw/zinc/36/89/74/411368974.db2.gz LHXAEFFNKIPYMQ-JTQLQIEISA-N 2 0 200.326 1.130 20 0 BDADRP C[C@H]1C[C@@H](C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)CC[NH2+]1 ZINC000656790799 411371246 /nfs/dbraw/zinc/37/12/46/411371246.db2.gz ARLVBTCZGGQXHP-CRWXNKLISA-N 2 0 240.391 1.874 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]C1CCC(CO)CC1 ZINC000304562267 411372185 /nfs/dbraw/zinc/37/21/85/411372185.db2.gz GXMKXSXESSLCGA-KPFVRQRISA-N 2 0 226.364 1.255 20 0 BDADRP CC1(C)[C@@H](O)C[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000163362113 168000788 /nfs/dbraw/zinc/00/07/88/168000788.db2.gz HYKLYGYCFDTWPP-TVUZUIDESA-N 2 0 212.337 1.005 20 0 BDADRP CC1(C[NH2+]CCCNc2ccccn2)COC1 ZINC000286525598 168040394 /nfs/dbraw/zinc/04/03/94/168040394.db2.gz NKXGWMPVTDCAMI-UHFFFAOYSA-N 2 0 235.331 1.510 20 0 BDADRP Cc1cnccc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000129720473 411377989 /nfs/dbraw/zinc/37/79/89/411377989.db2.gz CBUATVDLMMHOCK-CHWSQXEVSA-N 2 0 219.332 1.750 20 0 BDADRP C1[C@@H](c2nc([C@@H]3CCC[NH2+]3)no2)[C@]12CCC[NH2+]C2 ZINC000653491047 411382076 /nfs/dbraw/zinc/38/20/76/411382076.db2.gz IIELOJVPCLBBHK-OUJBWJOFSA-N 2 0 248.330 1.351 20 0 BDADRP C[NH2+]Cc1ccccc1NC(=O)C[NH2+]C(C)C ZINC000659302379 411391136 /nfs/dbraw/zinc/39/11/36/411391136.db2.gz FPASCANGFVZYLJ-UHFFFAOYSA-N 2 0 235.331 1.343 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CO1 ZINC000657308330 411457575 /nfs/dbraw/zinc/45/75/75/411457575.db2.gz ZLDKPKVDGYBSDE-OUCADQQQSA-N 2 0 238.375 1.628 20 0 BDADRP Cc1c[nH]c(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)n1 ZINC000657312910 411460038 /nfs/dbraw/zinc/46/00/38/411460038.db2.gz MCAPRYBMXCEVPY-RYUDHWBXSA-N 2 0 234.347 1.435 20 0 BDADRP [NH3+][C@@H]1CCO[C@H]1c1cncc(C2=CC[NH2+]CC2)c1 ZINC000653510132 411415876 /nfs/dbraw/zinc/41/58/76/411415876.db2.gz NJOSIWLUQVEXJL-KGLIPLIRSA-N 2 0 245.326 1.247 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@](C)(F)C2)CC[NH2+]1 ZINC000414755972 411442911 /nfs/dbraw/zinc/44/29/11/411442911.db2.gz IOJNFKVTLXEEGS-IJLUTSLNSA-N 2 0 214.328 1.808 20 0 BDADRP CCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657285930 411443944 /nfs/dbraw/zinc/44/39/44/411443944.db2.gz QMPXNMLYIWZZQO-UHFFFAOYSA-N 2 0 216.288 1.767 20 0 BDADRP C[C@H]1C[C@@H](C[N@H+](C)C2(CN)CCC2)CC[NH2+]1 ZINC000414789442 411445948 /nfs/dbraw/zinc/44/59/48/411445948.db2.gz OJOMCCAJGSYOFL-RYUDHWBXSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)NC[C@@H]([NH3+])c1ccccc1 ZINC000414824615 411448089 /nfs/dbraw/zinc/44/80/89/411448089.db2.gz BACRLGUDSUXMRU-BPLDGKMQSA-N 2 0 247.386 1.807 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1cccc(OC)c1 ZINC000414838277 411450938 /nfs/dbraw/zinc/45/09/38/411450938.db2.gz LGHMFSGXLCKVGY-LLVKDONJSA-N 2 0 222.332 1.640 20 0 BDADRP C[C@H](O)CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657362280 411480515 /nfs/dbraw/zinc/48/05/15/411480515.db2.gz SLFHRXHMMSKHOE-NSHDSACASA-N 2 0 246.314 1.128 20 0 BDADRP CC(C)(C)[NH2+]CC[NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000415089228 411491720 /nfs/dbraw/zinc/49/17/20/411491720.db2.gz NHIVLFZNYHZWKH-JHJVBQTASA-N 2 0 240.391 1.922 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1)[C@H]1CCCO1 ZINC000415089258 411491880 /nfs/dbraw/zinc/49/18/80/411491880.db2.gz YQUPMYRFPLQHGC-RFQIPJPRSA-N 2 0 240.391 1.922 20 0 BDADRP OCCCCC[NH2+]Cc1cnc2n1CCC2 ZINC000657455571 411515616 /nfs/dbraw/zinc/51/56/16/411515616.db2.gz SWZWPFANOPATTM-UHFFFAOYSA-N 2 0 223.320 1.082 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c2nccn21 ZINC000655803876 411518768 /nfs/dbraw/zinc/51/87/68/411518768.db2.gz GWFRJLSBNHOUFF-FVCCEPFGSA-N 2 0 248.374 1.819 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCCOCC2)C1 ZINC000655804949 411519327 /nfs/dbraw/zinc/51/93/27/411519327.db2.gz GUPUATDCHZHYGZ-UPJWGTAASA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H](CCCCO)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805025 411519843 /nfs/dbraw/zinc/51/98/43/411519843.db2.gz IRBDSCQKJQENEH-RWMBFGLXSA-N 2 0 228.380 1.467 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000655807112 411521755 /nfs/dbraw/zinc/52/17/55/411521755.db2.gz IUFWKTYSMKBMOJ-XBXGTLAGSA-N 3 0 239.407 1.401 20 0 BDADRP CC(C)OC[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655824554 411526710 /nfs/dbraw/zinc/52/67/10/411526710.db2.gz LSOAKKIRUMMUQL-RWMBFGLXSA-N 2 0 228.380 1.730 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(COC)CC2)[C@H](C)C1 ZINC000655817258 411528376 /nfs/dbraw/zinc/52/83/76/411528376.db2.gz JYKIUYJNFXEBRB-CHWSQXEVSA-N 2 0 240.391 1.733 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CO1 ZINC000657483150 411529246 /nfs/dbraw/zinc/52/92/46/411529246.db2.gz KUFJLTWDULRXNI-ZVLQPQRZSA-N 2 0 238.375 1.769 20 0 BDADRP CCn1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cn1 ZINC000655827037 411530025 /nfs/dbraw/zinc/53/00/25/411530025.db2.gz ODDMGJWEIWMQKT-BJHJDKERSA-N 2 0 236.363 1.333 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)CO1 ZINC000657491138 411531521 /nfs/dbraw/zinc/53/15/21/411531521.db2.gz CGUIKWMHSPFDJX-MELADBBJSA-N 2 0 240.391 1.875 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH+](C)CC2(C)COC2)C[C@H]1C ZINC000336713675 170010715 /nfs/dbraw/zinc/01/07/15/170010715.db2.gz STKFNAXWAJJEOL-CHWSQXEVSA-N 2 0 240.391 1.828 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+]CC2(O)CCCCC2)C1 ZINC000037893975 170014888 /nfs/dbraw/zinc/01/48/88/170014888.db2.gz QWWPIXUZXRAJMW-CYBMUJFWSA-N 2 0 240.391 1.613 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cnn(C)c2)C1 ZINC000044498819 170016573 /nfs/dbraw/zinc/01/65/73/170016573.db2.gz KWFUEKYMXSIHIN-NWDGAFQWSA-N 2 0 236.363 1.413 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCCO)C[C@H]1C ZINC000336677383 170018076 /nfs/dbraw/zinc/01/80/76/170018076.db2.gz NSXMXWMKSTTZJL-OLZOCXBDSA-N 2 0 228.380 1.564 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CCOCC2CC2)[C@@H](C)C1 ZINC000358078095 170020506 /nfs/dbraw/zinc/02/05/06/170020506.db2.gz DKAOYPZVBUKNAP-JSGCOSHPSA-N 2 0 240.391 1.733 20 0 BDADRP CC[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CO1 ZINC000657505445 411540122 /nfs/dbraw/zinc/54/01/22/411540122.db2.gz ZLSBTXDKXLFZGA-NDBYEHHHSA-N 2 0 226.364 1.484 20 0 BDADRP CCNC(=[NH2+])NCCC[N@H+](C)Cc1ccccc1 ZINC000052041130 170041635 /nfs/dbraw/zinc/04/16/35/170041635.db2.gz RYUISTUVWQYTJO-UHFFFAOYSA-N 2 0 248.374 1.642 20 0 BDADRP CC[NH2+]CC1CC[NH+]([C@@H](C)COC)CC1 ZINC000069906448 170111804 /nfs/dbraw/zinc/11/18/04/170111804.db2.gz ARWOKKXREIWSNB-NSHDSACASA-N 2 0 214.353 1.343 20 0 BDADRP CC[NH2+]CC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000053659177 170111936 /nfs/dbraw/zinc/11/19/36/170111936.db2.gz MAFMPKXNFPLWOE-CYBMUJFWSA-N 2 0 226.364 1.344 20 0 BDADRP CC[NH2+]CC1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000131502909 170112163 /nfs/dbraw/zinc/11/21/63/170112163.db2.gz IUGKQSKWGMAEPK-CQSZACIVSA-N 2 0 240.391 1.735 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H](C)C1 ZINC000660310610 411566982 /nfs/dbraw/zinc/56/69/82/411566982.db2.gz OUGNRKKVIPUIBY-KGLIPLIRSA-N 2 0 242.407 1.810 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000657611180 411563218 /nfs/dbraw/zinc/56/32/18/411563218.db2.gz KSEZDVZKHZGETA-XUXIUFHCSA-N 2 0 238.375 1.770 20 0 BDADRP CCOC1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000051889582 170332226 /nfs/dbraw/zinc/33/22/26/170332226.db2.gz XXCJVHFWLKRBGL-LLVKDONJSA-N 2 0 212.337 1.097 20 0 BDADRP CCOC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC000040689532 170332598 /nfs/dbraw/zinc/33/25/98/170332598.db2.gz MTTQSFXTPGSPBH-UHFFFAOYSA-N 2 0 212.337 1.239 20 0 BDADRP CCOCC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000343926447 170352636 /nfs/dbraw/zinc/35/26/36/170352636.db2.gz IZSRVRLMSYLRBF-CHWSQXEVSA-N 2 0 242.407 1.979 20 0 BDADRP CCOCCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000121869782 170374271 /nfs/dbraw/zinc/37/42/71/170374271.db2.gz ORVICWBLGQONKC-CQSZACIVSA-N 2 0 240.391 1.831 20 0 BDADRP CCOCCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339439473 170375241 /nfs/dbraw/zinc/37/52/41/170375241.db2.gz KJDGACFNCOEOMT-AWEZNQCLSA-N 2 0 240.391 1.831 20 0 BDADRP CCOCC[N@H+](CC)CC1CC[NH2+]CC1 ZINC000082537242 170395141 /nfs/dbraw/zinc/39/51/41/170395141.db2.gz SDUAPPGKUHHESY-UHFFFAOYSA-N 2 0 214.353 1.344 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000660781012 411629152 /nfs/dbraw/zinc/62/91/52/411629152.db2.gz QQRBBCCPPSYAPZ-RFGFWPKPSA-N 2 0 240.391 1.466 20 0 BDADRP C[C@H]1CN(C)C[C@H]1[NH2+]CCCc1ccco1 ZINC000657783842 411595227 /nfs/dbraw/zinc/59/52/27/411595227.db2.gz XUMUUPLHRGXRHL-WCQYABFASA-N 2 0 222.332 1.752 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000657875219 411615346 /nfs/dbraw/zinc/61/53/46/411615346.db2.gz BSXGDUJZVXAMHD-CHWSQXEVSA-N 2 0 238.375 1.629 20 0 BDADRP CC[NH2+]Cc1cccc(NC[C@]23C[C@H]2C[NH2+]C3)c1 ZINC000663494067 411672782 /nfs/dbraw/zinc/67/27/82/411672782.db2.gz LUYRGPSIXCDIAT-DZGCQCFKSA-N 2 0 245.370 1.818 20 0 BDADRP C[C@H](CC1CCOCC1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663497551 411679930 /nfs/dbraw/zinc/67/99/30/411679930.db2.gz HGAVQIJCECJWPM-LMWSTFAQSA-N 2 0 238.375 1.533 20 0 BDADRP C([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)C12CC(C1)C[NH2+]2 ZINC000663498586 411681803 /nfs/dbraw/zinc/68/18/03/411681803.db2.gz QLUBJNAFZVQUDG-PXELTDHWSA-N 2 0 248.370 1.286 20 0 BDADRP Cc1ccc(CCC[NH2+]CC23CC(C2)C[NH2+]3)cn1 ZINC000663501943 411685224 /nfs/dbraw/zinc/68/52/24/411685224.db2.gz ZXFKNXZFQHKVEN-UHFFFAOYSA-N 2 0 245.370 1.664 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+]CC[C@H]1CCOC1 ZINC000663502044 411685353 /nfs/dbraw/zinc/68/53/53/411685353.db2.gz DROIKOJJVVVKLS-NWDGAFQWSA-N 2 0 214.353 1.376 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+](C)CC2=CCSC2)CC[NH2+]1 ZINC000663506239 411688229 /nfs/dbraw/zinc/68/82/29/411688229.db2.gz KPLVPXJUJLOLJM-VXGBXAGGSA-N 2 0 240.416 1.980 20 0 BDADRP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000663510720 411693073 /nfs/dbraw/zinc/69/30/73/411693073.db2.gz RERJUKAYDPNDPX-QJPTWQEYSA-N 2 0 214.353 1.388 20 0 BDADRP c1cc2c(cc[nH+]c2N2CC[N@@H+]3CCC[C@H]3C2)[nH]1 ZINC000663567341 411702244 /nfs/dbraw/zinc/70/22/44/411702244.db2.gz XXZGPTVQZKIVDJ-NSHDSACASA-N 2 0 242.326 1.847 20 0 BDADRP CC[N@@H+]1C[C@@H](C)[C@H](Nc2cc(CO)cc(C)n2)C1 ZINC000663709761 411728910 /nfs/dbraw/zinc/72/89/10/411728910.db2.gz ZCKAXRWJMPQZCO-ZWNOBZJWSA-N 2 0 249.358 1.634 20 0 BDADRP C[C@@H]1CN(c2[nH+]ccc3[nH]ccc32)C[C@@H]1[NH+](C)C ZINC000663709299 411729089 /nfs/dbraw/zinc/72/90/89/411729089.db2.gz OPLSRUMGBGLING-MFKMUULPSA-N 2 0 244.342 1.949 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000661699681 411844924 /nfs/dbraw/zinc/84/49/24/411844924.db2.gz DSYTYWJEVIIYDR-ZIAGYGMSSA-N 2 0 240.391 1.687 20 0 BDADRP O[C@H]1CC[N@@H+](C2CC[NH+](CC3CCC3)CC2)C1 ZINC000662149046 412008981 /nfs/dbraw/zinc/00/89/81/412008981.db2.gz MUUWRTHHANIYQG-AWEZNQCLSA-N 2 0 238.375 1.318 20 0 BDADRP O[C@@H]1CC[N@@H+](C2CC[NH+](CCC3CC3)CC2)C1 ZINC000662152613 412009095 /nfs/dbraw/zinc/00/90/95/412009095.db2.gz VRHIPBOYRVHONI-CQSZACIVSA-N 2 0 238.375 1.318 20 0 BDADRP CCCCC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662152401 412009833 /nfs/dbraw/zinc/00/98/33/412009833.db2.gz UHXXMIMCCHRMLJ-CQSZACIVSA-N 2 0 240.391 1.708 20 0 BDADRP CO[C@H](C[NH+]1CCC([NH3+])CC1)C1CCCC1 ZINC000662240982 412037696 /nfs/dbraw/zinc/03/76/96/412037696.db2.gz OPYAEHXNZUURCW-CYBMUJFWSA-N 2 0 226.364 1.615 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCO[C@H]2CC2(F)F)C1 ZINC000662243924 412039025 /nfs/dbraw/zinc/03/90/25/412039025.db2.gz DINHJWUPBZSFKB-AXFHLTTASA-N 2 0 248.317 1.470 20 0 BDADRP CO[C@H](C[NH2+][C@@](C)(C[NH3+])C1CC1)C1CCC1 ZINC000662247917 412044891 /nfs/dbraw/zinc/04/48/91/412044891.db2.gz OOLZQCHHECSPLW-OLZOCXBDSA-N 2 0 226.364 1.519 20 0 BDADRP CC(C)[C@](C)(C[NH3+])[NH2+]CCO[C@@H]1CC1(F)F ZINC000662249945 412046437 /nfs/dbraw/zinc/04/64/37/412046437.db2.gz VWUABVZFMKHDGO-ZJUUUORDSA-N 2 0 236.306 1.374 20 0 BDADRP CC[C@H](C)[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662253477 412048352 /nfs/dbraw/zinc/04/83/52/412048352.db2.gz WGZCHNKODHACDB-WDEREUQCSA-N 2 0 212.337 1.238 20 0 BDADRP C[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)CC(C)(C)C ZINC000662251361 412048444 /nfs/dbraw/zinc/04/84/44/412048444.db2.gz AQGXYACFTBBASM-NSHDSACASA-N 2 0 226.364 1.485 20 0 BDADRP CCC[C@@H](C)[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252091 412049839 /nfs/dbraw/zinc/04/98/39/412049839.db2.gz JTJNUTCGQPFBRA-NEPJUHHUSA-N 2 0 226.364 1.628 20 0 BDADRP C[C@H]1c2ccccc2CC[N@H+]1C[C@@H]1CNCCO1 ZINC000662258624 412053489 /nfs/dbraw/zinc/05/34/89/412053489.db2.gz VZMYMDRZUUGDJA-JSGCOSHPSA-N 2 0 246.354 1.594 20 0 BDADRP CC[C@@H]1C[N@H+](CCC[NH+](CC)CC)C[C@H]1O ZINC000338281808 171080926 /nfs/dbraw/zinc/08/09/26/171080926.db2.gz UUERCYVASRXGTR-CHWSQXEVSA-N 2 0 228.380 1.421 20 0 BDADRP CC[C@@H]1C[N@H+](CCC[NH+](CC)CC)C[C@@H]1O ZINC000338281810 171082230 /nfs/dbraw/zinc/08/22/30/171082230.db2.gz UUERCYVASRXGTR-OLZOCXBDSA-N 2 0 228.380 1.421 20 0 BDADRP CC[C@@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)C[C@@H]1O ZINC000341009147 171084344 /nfs/dbraw/zinc/08/43/44/171084344.db2.gz LMEPQFPIKUKNOE-MCIONIFRSA-N 2 0 240.391 1.564 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)C1CCC1 ZINC000662273551 412064931 /nfs/dbraw/zinc/06/49/31/412064931.db2.gz OELRZWOYUVFJQP-MELADBBJSA-N 2 0 238.375 1.485 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C[C@H]1C[NH3+] ZINC000662280176 412071019 /nfs/dbraw/zinc/07/10/19/412071019.db2.gz DDQOICPYGXAGEG-RKQHYHRCSA-N 2 0 222.376 1.949 20 0 BDADRP CC[C@@H]1CC[C@@H](C)[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662279835 412071090 /nfs/dbraw/zinc/07/10/90/412071090.db2.gz MEYDOFZTHBUCHI-UPJWGTAASA-N 2 0 238.375 1.770 20 0 BDADRP CC[C@@](C)(O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000335918560 171179522 /nfs/dbraw/zinc/17/95/22/171179522.db2.gz ZLPHDWKELSQZAS-OLZOCXBDSA-N 2 0 226.364 1.175 20 0 BDADRP CCO[C@@H]1C[N@H+](CCC=C(C)C)C[C@H]1C[NH3+] ZINC000662285302 412076402 /nfs/dbraw/zinc/07/64/02/412076402.db2.gz JGOGPWZVAPBDTG-CHWSQXEVSA-N 2 0 226.364 1.638 20 0 BDADRP c1cc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)on1 ZINC000662294020 412082714 /nfs/dbraw/zinc/08/27/14/412082714.db2.gz AECUZBFCDHBZFG-CYBMUJFWSA-N 2 0 249.358 1.886 20 0 BDADRP CC[C@H](C)N(C)CC[NH2+][C@@H](C)CCCC[NH3+] ZINC000336681282 171305628 /nfs/dbraw/zinc/30/56/28/171305628.db2.gz YBFXXNCMRKOWLV-STQMWFEESA-N 2 0 229.412 1.824 20 0 BDADRP CC[C@H](C)[N@H+](CCO)CC[C@H]1CCC[NH+]1C ZINC000336659126 171313105 /nfs/dbraw/zinc/31/31/05/171313105.db2.gz MTLSJBGQQAEFGF-QWHCGFSZSA-N 2 0 228.380 1.564 20 0 BDADRP CC[C@H](C)[N@H+](CC)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662290192 412079930 /nfs/dbraw/zinc/07/99/30/412079930.db2.gz MSBCVIWVCLKBIG-NWDGAFQWSA-N 2 0 226.364 1.628 20 0 BDADRP CC[C@H](C)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370638518 171348568 /nfs/dbraw/zinc/34/85/68/171348568.db2.gz XZYWYFMBFAXMOC-STQMWFEESA-N 2 0 239.407 1.543 20 0 BDADRP C[N@H+](CCCOCC(F)(F)F)CC(C)(C)[NH3+] ZINC000662293434 412081167 /nfs/dbraw/zinc/08/11/67/412081167.db2.gz REUSTAWBZKITHG-UHFFFAOYSA-N 2 0 242.285 1.625 20 0 BDADRP CC[C@H](C)[C@@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000336675545 171364288 /nfs/dbraw/zinc/36/42/88/171364288.db2.gz BLGWDHVWHRUMKX-NWDGAFQWSA-N 2 0 228.380 1.467 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC2CC1(C)C2 ZINC000662385596 412138183 /nfs/dbraw/zinc/13/81/83/412138183.db2.gz XQRDOBYRRZNOHO-CPCZMJQVSA-N 2 0 208.349 1.955 20 0 BDADRP OCC[C@H]1CCCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000662299769 412087204 /nfs/dbraw/zinc/08/72/04/412087204.db2.gz XAUMSMUGWZQIFP-CHWSQXEVSA-N 2 0 226.364 1.223 20 0 BDADRP OCC[C@@H]1CCCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000662299774 412087537 /nfs/dbraw/zinc/08/75/37/412087537.db2.gz XAUMSMUGWZQIFP-STQMWFEESA-N 2 0 226.364 1.223 20 0 BDADRP C[C@@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)[C@@H]1CCO ZINC000662303317 412088305 /nfs/dbraw/zinc/08/83/05/412088305.db2.gz VXSWZRCFZRJPRO-MGPQQGTHSA-N 2 0 240.391 1.469 20 0 BDADRP [NH3+]CC12CC(C1)CN2CCCC1CC[NH2+]CC1 ZINC000662305882 412090149 /nfs/dbraw/zinc/09/01/49/412090149.db2.gz NKCNRNCYPUGPCQ-UHFFFAOYSA-N 2 0 237.391 1.189 20 0 BDADRP [NH3+]CC12CC(C1)C[N@@H+]2C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000662307234 412092665 /nfs/dbraw/zinc/09/26/65/412092665.db2.gz XNXUQCROKPHJIW-HUEPFSFMSA-N 2 0 220.360 1.846 20 0 BDADRP Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]CCC[NH3+])cn1 ZINC000662310257 412094002 /nfs/dbraw/zinc/09/40/02/412094002.db2.gz IYWKMFFZQFWIFI-OLZOCXBDSA-N 2 0 236.363 1.070 20 0 BDADRP C[NH2+]CCC[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000662316174 412096716 /nfs/dbraw/zinc/09/67/16/412096716.db2.gz VWUGIPSXDAATMS-LBPRGKRZSA-N 2 0 212.337 1.098 20 0 BDADRP C[N@H+](CC[C@H]1CC[NH2+]C1)C[C@H]1CC1(C)C ZINC000662331684 412104509 /nfs/dbraw/zinc/10/45/09/412104509.db2.gz PVMPPOLGLKAPES-VXGBXAGGSA-N 2 0 210.365 1.964 20 0 BDADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)C[C@H]1CC1(C)C ZINC000662331680 412104539 /nfs/dbraw/zinc/10/45/39/412104539.db2.gz PVMPPOLGLKAPES-NWDGAFQWSA-N 2 0 210.365 1.964 20 0 BDADRP [NH3+]CCC[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662327353 412105353 /nfs/dbraw/zinc/10/53/53/412105353.db2.gz OHBSMDFBOMIMJV-BETUJISGSA-N 2 0 224.348 1.228 20 0 BDADRP C[C@]1(C(F)F)C[N@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000662336492 412107251 /nfs/dbraw/zinc/10/72/51/412107251.db2.gz YBTBAVBPECEQPT-ZYHUDNBSSA-N 2 0 248.317 1.342 20 0 BDADRP CC(C)(C)[N@@H+]1CC[C@H](N[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000665236749 412175821 /nfs/dbraw/zinc/17/58/21/412175821.db2.gz SSXZJOXHKBCWBI-FRRDWIJNSA-N 2 0 239.407 1.576 20 0 BDADRP CC[C@H](COCC1CC1)[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000665236170 412176411 /nfs/dbraw/zinc/17/64/11/412176411.db2.gz ISFBPQQGPRLXOK-NQBHXWOUSA-N 2 0 228.380 1.907 20 0 BDADRP CC[C@H](C)CC[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000665237509 412178927 /nfs/dbraw/zinc/17/89/27/412178927.db2.gz CDDKAPGRRLPIGE-QNWHQSFQSA-N 2 0 228.380 1.765 20 0 BDADRP [NH3+]CC1CCC([NH2+]CCO[C@H]2CC2(F)F)CC1 ZINC000665243885 412187316 /nfs/dbraw/zinc/18/73/16/412187316.db2.gz APIMTDCBGGDTIS-ILDUYXDCSA-N 2 0 248.317 1.518 20 0 BDADRP CC(C)[NH2+]CC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000662474020 412188619 /nfs/dbraw/zinc/18/86/19/412188619.db2.gz PWCFVMIUQCNFSJ-LLVKDONJSA-N 2 0 243.395 1.077 20 0 BDADRP CO[C@H]1CCC[C@H]([NH2+]CC2([NH3+])CCCC2)C1 ZINC000665247134 412193380 /nfs/dbraw/zinc/19/33/80/412193380.db2.gz WILIHMRVUDVUPX-RYUDHWBXSA-N 2 0 226.364 1.805 20 0 BDADRP C[C@@H]1C[C@H](NCC2([NH3+])CCCC2)C[N@@H+]1C1CC1 ZINC000665249408 412195360 /nfs/dbraw/zinc/19/53/60/412195360.db2.gz PUCQQAYLHZREKF-NEPJUHHUSA-N 2 0 237.391 1.473 20 0 BDADRP CC(C)(F)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000665261474 412203443 /nfs/dbraw/zinc/20/34/43/412203443.db2.gz CWOZLDTZOJMOSW-ZACCUICWSA-N 2 0 214.328 1.997 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCc1ccoc1 ZINC000665261521 412204402 /nfs/dbraw/zinc/20/44/02/412204402.db2.gz FIEYRJOWWFEXFY-WCFLWFBJSA-N 2 0 238.331 1.164 20 0 BDADRP CC(C)(F)CC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000665262022 412204867 /nfs/dbraw/zinc/20/48/67/412204867.db2.gz RMODRTXUJFMBFG-ZJUUUORDSA-N 2 0 202.317 1.842 20 0 BDADRP Cc1cncc(CC[NH2+][C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000665273678 412215403 /nfs/dbraw/zinc/21/54/03/412215403.db2.gz BNLIITLHDFBOMH-YPMHNXCESA-N 2 0 234.347 1.045 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCc1ccoc1 ZINC000665263556 412206759 /nfs/dbraw/zinc/20/67/59/412206759.db2.gz OZIJIFRGYMDWDF-VXGBXAGGSA-N 2 0 208.305 1.539 20 0 BDADRP C[C@]1(C[NH2+][C@H]2CCC[C@H]2[NH3+])CC1(F)F ZINC000665265543 412209473 /nfs/dbraw/zinc/20/94/73/412209473.db2.gz XYJFVEZHJRMXKH-HRDYMLBCSA-N 2 0 204.264 1.501 20 0 BDADRP COC1CC(CC[NH2+][C@H]2CCC[C@H]2[NH3+])C1 ZINC000665229928 412168244 /nfs/dbraw/zinc/16/82/44/412168244.db2.gz GPCSECNEXUXJJN-HCWSGVFWSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@H]([NH3+])c1ccc(CNC(=O)[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000662430928 412168567 /nfs/dbraw/zinc/16/85/67/412168567.db2.gz WZANZPXKLNVIJS-XDTLVQLUSA-N 2 0 247.342 1.060 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1cccc(N)c1 ZINC000665232283 412170162 /nfs/dbraw/zinc/17/01/62/412170162.db2.gz JYFOBUZHVOWGDW-CYBMUJFWSA-N 2 0 237.347 1.112 20 0 BDADRP Nc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000665232429 412170370 /nfs/dbraw/zinc/17/03/70/412170370.db2.gz MTCOVUFLNHUKIG-PBWFPOADSA-N 2 0 231.343 1.641 20 0 BDADRP Nc1cccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000665232599 412170810 /nfs/dbraw/zinc/17/08/10/412170810.db2.gz PXPHDNYFWUBIBN-YPMHNXCESA-N 2 0 219.332 1.486 20 0 BDADRP C[C@H](N[C@H]1CC[N@@H+](C(C)(C)C)C1)C1C[NH2+]C1 ZINC000665235828 412173457 /nfs/dbraw/zinc/17/34/57/412173457.db2.gz ARQDEEPOWXUDJL-JQWIXIFHSA-N 2 0 225.380 1.057 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@H](CO)C2CCC2)CC1 ZINC000665234642 412173945 /nfs/dbraw/zinc/17/39/45/412173945.db2.gz HRTFBBRVZCCREM-KGPNIALWSA-N 2 0 226.364 1.255 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H](CO)C1CCC1 ZINC000665235280 412174484 /nfs/dbraw/zinc/17/44/84/412174484.db2.gz SXTYEJYSVSMHQM-ZYHUDNBSSA-N 2 0 214.353 1.255 20 0 BDADRP CCC[N@@H+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000665274719 412217033 /nfs/dbraw/zinc/21/70/33/412217033.db2.gz XAVLTGVQIYATHJ-WJLOJVBCSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1=CCCC1 ZINC000665274873 412217271 /nfs/dbraw/zinc/21/72/71/412217271.db2.gz ZVRJHZYWNRTXNV-CYZMBNFOSA-N 2 0 224.348 1.439 20 0 BDADRP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)C1CCOCC1 ZINC000665277963 412219089 /nfs/dbraw/zinc/21/90/89/412219089.db2.gz RCMRVDAEIBTKNR-XSRFYTQQSA-N 2 0 224.348 1.143 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@]1(C)CC1(C)C ZINC000665275254 412219396 /nfs/dbraw/zinc/21/93/96/412219396.db2.gz GGIRPLVGMCCGAS-CMPLNLGQSA-N 2 0 214.353 1.519 20 0 BDADRP COCC[C@@H]1CCC[C@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665279827 412222630 /nfs/dbraw/zinc/22/26/30/412222630.db2.gz NBDNXCJTUQCTBT-YIFLHPOLSA-N 2 0 238.375 1.533 20 0 BDADRP CC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)[C@@H]1C[C@@H]1C ZINC000665280280 412224474 /nfs/dbraw/zinc/22/44/74/412224474.db2.gz XSOGQHZCQNNQKY-XNDORFDGSA-N 2 0 208.349 1.763 20 0 BDADRP [NH3+][C@H]1C[C@H](NCC23CC(C2)C[NH2+]3)c2ccccc21 ZINC000665280206 412225503 /nfs/dbraw/zinc/22/55/03/412225503.db2.gz VUJOBJPOBIXYRH-LBYOPCMCSA-N 2 0 243.354 1.473 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1ccnn1C ZINC000665281440 412226467 /nfs/dbraw/zinc/22/64/67/412226467.db2.gz CEOVBUQOQHSMBD-GHMZBOCLSA-N 2 0 224.352 1.444 20 0 BDADRP CC[C@H](NCC[C@@H]([NH3+])C(C)C)[C@@H]1CCC[NH2+]1 ZINC000665282017 412226779 /nfs/dbraw/zinc/22/67/79/412226779.db2.gz OXOGJMHYDFHWBT-AGIUHOORSA-N 2 0 227.396 1.480 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CCCc1ccco1 ZINC000665283844 412229020 /nfs/dbraw/zinc/22/90/20/412229020.db2.gz WCBYBZPTJGDVBL-GFCCVEGCSA-N 2 0 240.347 1.556 20 0 BDADRP COc1cccc(C[NH2+][C@@H](C)C2C[NH2+]C2)c1C ZINC000665294109 412238564 /nfs/dbraw/zinc/23/85/64/412238564.db2.gz IIDJWZXCKNQBFX-NSHDSACASA-N 2 0 234.343 1.701 20 0 BDADRP CCn1nccc1C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000665299211 412247897 /nfs/dbraw/zinc/24/78/97/412247897.db2.gz IMUVAFHFHNBDIK-WCQYABFASA-N 2 0 236.363 1.381 20 0 BDADRP FCCOCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000665299980 412248300 /nfs/dbraw/zinc/24/83/00/412248300.db2.gz VWOKHWSEYUXEQJ-XQQFMLRXSA-N 2 0 244.354 1.483 20 0 BDADRP CC[C@]1(C(=O)NCC[C@@H]([NH3+])C(C)C)CCC[NH2+]1 ZINC000662927426 412348495 /nfs/dbraw/zinc/34/84/95/412348495.db2.gz ZICPMXHNZFTSSK-DGCLKSJQSA-N 2 0 241.379 1.008 20 0 BDADRP CC(C)C[C@H]([NH3+])c1noc([C@H]2C[C@H]([NH3+])C2)n1 ZINC000663250168 412401122 /nfs/dbraw/zinc/40/11/22/412401122.db2.gz CTXFHSKIFJKEHL-CIUDSAMLSA-N 2 0 224.308 1.320 20 0 BDADRP CC(C)C[C@@H]([NH3+])c1noc(CC2([NH3+])CC2)n1 ZINC000663251135 412401779 /nfs/dbraw/zinc/40/17/79/412401779.db2.gz MFPKUDVAASSMKB-MRVPVSSYSA-N 2 0 224.308 1.149 20 0 BDADRP CCn1cc(CNC[C@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000050539578 172172250 /nfs/dbraw/zinc/17/22/50/172172250.db2.gz WKZVPVFBWFJVJC-GFCCVEGCSA-N 2 0 248.374 1.477 20 0 BDADRP C[NH+](C)C1CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000353686068 172405500 /nfs/dbraw/zinc/40/55/00/172405500.db2.gz JNUFOOVVFGUSAH-IYXRBSQSSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC1(C)COC1 ZINC000094721564 487624976 /nfs/dbraw/zinc/62/49/76/487624976.db2.gz LPXIOVKUOGVBRA-QWHCGFSZSA-N 2 0 240.391 1.923 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@@H](O)C2(CC2)C1 ZINC000335681849 173004078 /nfs/dbraw/zinc/00/40/78/173004078.db2.gz QNYUVEXMGQYKIH-CHWSQXEVSA-N 2 0 238.375 1.318 20 0 BDADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](O)CC1 ZINC000334245610 173006590 /nfs/dbraw/zinc/00/65/90/173006590.db2.gz SYCVIMHDAYTLJG-UONOGXRCSA-N 2 0 240.391 1.708 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H](CO)C1 ZINC000372880297 173027127 /nfs/dbraw/zinc/02/71/27/173027127.db2.gz KUYRQVZDYORSQP-ZIAGYGMSSA-N 2 0 240.391 1.565 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]2OCC[C@H]21 ZINC000369783650 173028020 /nfs/dbraw/zinc/02/80/20/173028020.db2.gz KDDLOQPYOAMFOA-MGPQQGTHSA-N 2 0 238.375 1.724 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@]12CCOC2 ZINC000341977898 173028303 /nfs/dbraw/zinc/02/83/03/173028303.db2.gz WRFVLKWOLIHLJA-KGLIPLIRSA-N 2 0 238.375 1.726 20 0 BDADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCOC3)CC[C@H]21 ZINC000336712385 173036314 /nfs/dbraw/zinc/03/63/14/173036314.db2.gz RWSBANOOBFVENB-BFHYXJOUSA-N 2 0 238.375 1.439 20 0 BDADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(C)(C)O)CC[C@@H]21 ZINC000129155897 173037186 /nfs/dbraw/zinc/03/71/86/173037186.db2.gz MIVWTGCJAXXQQG-OLZOCXBDSA-N 2 0 240.391 1.564 20 0 BDADRP CN1CCC[C@H]([NH2+]CCc2ccccc2)C1 ZINC000040671761 173046209 /nfs/dbraw/zinc/04/62/09/173046209.db2.gz QJVWPECWRYTBQP-AWEZNQCLSA-N 2 0 218.344 1.913 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H](CO)C(C)(C)C ZINC000309555870 173052916 /nfs/dbraw/zinc/05/29/16/173052916.db2.gz JQRFOFSOCJEKHK-RYUDHWBXSA-N 2 0 228.380 1.467 20 0 BDADRP C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccccc1 ZINC000041300013 173083086 /nfs/dbraw/zinc/08/30/86/173083086.db2.gz JSBSJNIKDPZHHP-UHFFFAOYSA-N 2 0 247.386 1.366 20 0 BDADRP C[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCSC2)C1 ZINC000037484627 173146720 /nfs/dbraw/zinc/14/67/20/173146720.db2.gz CVVQDPHRRJZZGI-NXEZZACHSA-N 2 0 200.351 1.033 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CC2(C)COC2)[C@@H]2CCC[C@H]21 ZINC000368617012 173151459 /nfs/dbraw/zinc/15/14/59/173151459.db2.gz VUAVEKQNAIITDW-RWMBFGLXSA-N 2 0 238.375 1.485 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CC2(O)CCC2)[C@@H]2CCC[C@@H]21 ZINC000368616482 173152799 /nfs/dbraw/zinc/15/27/99/173152799.db2.gz SZRJXOICMFQJPW-AVGNSLFASA-N 2 0 238.375 1.364 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCOC2)[C@@H]2CCC[C@@H]21 ZINC000353393276 173153287 /nfs/dbraw/zinc/15/32/87/173153287.db2.gz IMXIESDUTQLIEH-XUXIUFHCSA-N 2 0 238.375 1.485 20 0 BDADRP C[NH2+]CC1CC[NH+](Cc2cc(C)no2)CC1 ZINC000063166144 173338449 /nfs/dbraw/zinc/33/84/49/173338449.db2.gz MSEDXDCSAYTWBQ-UHFFFAOYSA-N 2 0 223.320 1.414 20 0 BDADRP C[NH2+]CC1CC[NH+](Cc2cnn(C)c2C)CC1 ZINC000093651353 173338903 /nfs/dbraw/zinc/33/89/03/173338903.db2.gz IGZAWTXQPXTWKC-UHFFFAOYSA-N 2 0 236.363 1.160 20 0 BDADRP C[NH2+]CCCN1C[C@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000337051327 173347056 /nfs/dbraw/zinc/34/70/56/173347056.db2.gz JQPLSGYOVGBULW-KGLIPLIRSA-N 2 0 233.359 1.023 20 0 BDADRP C[NH2+]CCC[N@@H+]1CC[C@H](OCC(C)C)C1 ZINC000336693362 173347421 /nfs/dbraw/zinc/34/74/21/173347421.db2.gz LBWPUMHKLNHECW-LBPRGKRZSA-N 2 0 214.353 1.343 20 0 BDADRP C[NH2+]CCCNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000121219985 173348379 /nfs/dbraw/zinc/34/83/79/173348379.db2.gz REEJCEJKTCJZRM-AAEUAGOBSA-N 2 0 249.358 1.048 20 0 BDADRP C[NH2+]C[C@@H]1CCCN1CC[C@H]1CCCO1 ZINC000250754915 173368747 /nfs/dbraw/zinc/36/87/47/173368747.db2.gz PWORWZZUJUJVOV-NWDGAFQWSA-N 2 0 212.337 1.239 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000082581718 173378456 /nfs/dbraw/zinc/37/84/56/173378456.db2.gz NQYSYHOCEJEYKG-OLZOCXBDSA-N 2 0 226.364 1.344 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](CCOc2cccc(C)c2)C1 ZINC000053033303 173381389 /nfs/dbraw/zinc/38/13/89/173381389.db2.gz GCKASEVKXGRYHN-CQSZACIVSA-N 2 0 248.370 1.915 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)[C@H]([NH3+])C(C)C)c1 ZINC000296506111 173389379 /nfs/dbraw/zinc/38/93/79/173389379.db2.gz RIYVKCPWBRXNHP-GFCCVEGCSA-N 2 0 235.331 1.328 20 0 BDADRP CC[NH2+]CCC[NH2+][C@@H]1C[C@@H](OCC)C12CCC2 ZINC000564822250 322930831 /nfs/dbraw/zinc/93/08/31/322930831.db2.gz JHZAAUBEBFFVBM-CHWSQXEVSA-N 2 0 240.391 1.923 20 0 BDADRP COCC(C)(C)C[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000353257920 174074638 /nfs/dbraw/zinc/07/46/38/174074638.db2.gz YWYVNWXBLALUBQ-SNVBAGLBSA-N 2 0 237.347 1.529 20 0 BDADRP COCC(C)(C)C[NH2+][C@H](C)CCC[NH3+] ZINC000336694423 174074897 /nfs/dbraw/zinc/07/48/97/174074897.db2.gz RPJCAGTXRWIJCC-SNVBAGLBSA-N 2 0 202.342 1.376 20 0 BDADRP COCC(C)(C)C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000336762509 174076096 /nfs/dbraw/zinc/07/60/96/174076096.db2.gz LKJTWSKSEZLPAL-NEPJUHHUSA-N 2 0 228.380 1.589 20 0 BDADRP COCC1(C[NH+]2CCC([NH+](C)C)CC2)CCC1 ZINC000361285375 174097215 /nfs/dbraw/zinc/09/72/15/174097215.db2.gz DENJNTFSBSESNL-UHFFFAOYSA-N 2 0 240.391 1.829 20 0 BDADRP COCCCCC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342080677 174179696 /nfs/dbraw/zinc/17/96/96/174179696.db2.gz GVIMLHGYJCDIPD-MJBXVCDLSA-N 2 0 240.391 1.862 20 0 BDADRP COCCCCC[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000309060760 174183978 /nfs/dbraw/zinc/18/39/78/174183978.db2.gz WLFJJWMDDXSDNJ-NWDGAFQWSA-N 2 0 214.353 1.343 20 0 BDADRP COCCCC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000308879078 174193342 /nfs/dbraw/zinc/19/33/42/174193342.db2.gz VCAQHYOAZOMNBS-LBPRGKRZSA-N 2 0 212.337 1.098 20 0 BDADRP COCCC[C@@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000336774391 174260531 /nfs/dbraw/zinc/26/05/31/174260531.db2.gz WUHZGMBOHBQKHE-GFCCVEGCSA-N 2 0 226.364 1.653 20 0 BDADRP COCC[N@H+](C)CCCNc1cccc(C)[nH+]1 ZINC000189428382 174275245 /nfs/dbraw/zinc/27/52/45/174275245.db2.gz TUKKLSZIUFWQCO-UHFFFAOYSA-N 2 0 237.347 1.770 20 0 BDADRP COCC[N@H+](C)CCC[NH2+]C[C@@H]1CC=CCC1 ZINC000119542827 174275270 /nfs/dbraw/zinc/27/52/70/174275270.db2.gz ZYTQZYGWDXEREQ-CQSZACIVSA-N 2 0 240.391 1.901 20 0 BDADRP COCC[N@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000042519628 174297872 /nfs/dbraw/zinc/29/78/72/174297872.db2.gz SAABRLOMWUWUQQ-NSHDSACASA-N 2 0 212.337 1.097 20 0 BDADRP COCC[N@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000042519627 174298364 /nfs/dbraw/zinc/29/83/64/174298364.db2.gz SAABRLOMWUWUQQ-LLVKDONJSA-N 2 0 212.337 1.097 20 0 BDADRP COCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075834860 174313662 /nfs/dbraw/zinc/31/36/62/174313662.db2.gz KSBYXGBGLKGLHD-CYBMUJFWSA-N 2 0 226.364 1.441 20 0 BDADRP COCC[C@@H](C)[NH2+]CCCC[NH+](C)C ZINC000045664307 174383168 /nfs/dbraw/zinc/38/31/68/174383168.db2.gz JTYOKPAPWMBLQP-LLVKDONJSA-N 2 0 202.342 1.343 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000356705402 174561922 /nfs/dbraw/zinc/56/19/22/174561922.db2.gz WKWLVSPXICMERW-AVGNSLFASA-N 2 0 244.379 1.288 20 0 BDADRP COc1ccc(CC[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000094009493 175091928 /nfs/dbraw/zinc/09/19/28/175091928.db2.gz CLPNFORJARPBGT-UHFFFAOYSA-N 2 0 248.370 1.827 20 0 BDADRP COc1ccc(CC[C@@H](C)[NH2+]CCC[NH3+])cc1 ZINC000037713693 175092459 /nfs/dbraw/zinc/09/24/59/175092459.db2.gz OZLXKRDWZCJWSG-GFCCVEGCSA-N 2 0 236.359 1.955 20 0 BDADRP COc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1C ZINC000050597700 175102422 /nfs/dbraw/zinc/10/24/22/175102422.db2.gz DUVGOYJOFVSSPC-ZDUSSCGKSA-N 2 0 234.343 1.784 20 0 BDADRP COc1ccc([C@H](C)[NH2+]CCC[NH3+])c(OC)c1 ZINC000037713373 175188056 /nfs/dbraw/zinc/18/80/56/175188056.db2.gz ADZXRDSNSLYJQS-JTQLQIEISA-N 2 0 238.331 1.703 20 0 BDADRP COc1cccc(C[NH2+]C[C@H](C)C[NH+](C)C)c1 ZINC000291703344 175264454 /nfs/dbraw/zinc/26/44/54/175264454.db2.gz KLKSGAZPSPQORC-LBPRGKRZSA-N 2 0 236.359 1.983 20 0 BDADRP COc1ccccc1OCCN(C)[C@H](C)C[NH3+] ZINC000135296068 175340327 /nfs/dbraw/zinc/34/03/27/175340327.db2.gz LMKFGNKKAFGUNB-LLVKDONJSA-N 2 0 238.331 1.353 20 0 BDADRP C[C@@H]1CCC[N@H+](CCC2CC[NH2+]CC2)[C@H]1CN ZINC000359209686 176098041 /nfs/dbraw/zinc/09/80/41/176098041.db2.gz DFIYGYWQIBNRAC-OCCSQVGLSA-N 2 0 239.407 1.435 20 0 BDADRP C[C@@H]1CCC[C@H](C[N@H+](C)C[C@H](O)C[NH3+])C1 ZINC000336765999 176137086 /nfs/dbraw/zinc/13/70/86/176137086.db2.gz RRTVQAPNOBEAIV-GRYCIOLGSA-N 2 0 214.353 1.064 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@H]2CCC[NH+]2C)C[C@@H]1O ZINC000305759222 176169635 /nfs/dbraw/zinc/16/96/35/176169635.db2.gz HXJOSSJQEBXCHT-UPJWGTAASA-N 2 0 226.364 1.173 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2cccc(O)c2)C[C@@H]1C[NH3+] ZINC000163460125 176175223 /nfs/dbraw/zinc/17/52/23/176175223.db2.gz GUKHCDKCVBEHKE-YPMHNXCESA-N 2 0 234.343 1.809 20 0 BDADRP C[C@@H]1CCOCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000375003016 176188530 /nfs/dbraw/zinc/18/85/30/176188530.db2.gz DWUCKKNLAWQXKB-CHWSQXEVSA-N 2 0 226.364 1.582 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@]1(C)CCOC1 ZINC000336777254 176268738 /nfs/dbraw/zinc/26/87/38/176268738.db2.gz HUUICFRUQUERKZ-FRRDWIJNSA-N 2 0 226.364 1.343 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCOCC(F)F ZINC000309816612 176269151 /nfs/dbraw/zinc/26/91/51/176269151.db2.gz VJORELOFYKOHML-ZJUUUORDSA-N 2 0 236.306 1.198 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC[C@H]1CCOC1 ZINC000300418757 176278322 /nfs/dbraw/zinc/27/83/22/176278322.db2.gz BLFYUDLSDHGJGO-YIYPIFLZSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1ccncc1 ZINC000048261849 176278555 /nfs/dbraw/zinc/27/85/55/176278555.db2.gz VNXMALUFBDMGFM-UMVBOHGHSA-N 2 0 247.386 1.942 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)C[C@H]1CO ZINC000362069877 176292689 /nfs/dbraw/zinc/29/26/89/176292689.db2.gz FXHFKHAZYMAUKK-RDBSUJKOSA-N 2 0 240.391 1.421 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCSC2)CC[C@@H]1[NH3+] ZINC000224619875 176297991 /nfs/dbraw/zinc/29/79/91/176297991.db2.gz TWBHURMPEJXOKN-VWYCJHECSA-N 2 0 214.378 1.409 20 0 BDADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC[NH2+]C(C)(C)C ZINC000094459359 176323573 /nfs/dbraw/zinc/32/35/73/176323573.db2.gz DCJDWBJJPLJOTI-CHWSQXEVSA-N 2 0 239.407 1.543 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1CCCCC[C@H]1[NH3+] ZINC000332253299 176327992 /nfs/dbraw/zinc/32/79/92/176327992.db2.gz MJSCGEDXRYFSNT-NDBYEHHHSA-N 2 0 225.380 1.234 20 0 BDADRP C[C@@H]1COCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000035776437 176335760 /nfs/dbraw/zinc/33/57/60/176335760.db2.gz RBOJJZCGKITCGY-LLVKDONJSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H]1C[C@@H](C)C[NH+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000019516121 176361650 /nfs/dbraw/zinc/36/16/50/176361650.db2.gz BZNDIWKLEZLXFA-JHJVBQTASA-N 2 0 210.365 1.964 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)CCO1 ZINC000309809392 176375055 /nfs/dbraw/zinc/37/50/55/176375055.db2.gz TVRMEVCSVAESAC-YPMHNXCESA-N 2 0 224.348 1.405 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)[C@@H](C)O1 ZINC000297539754 176377904 /nfs/dbraw/zinc/37/79/04/176377904.db2.gz OPJIUFYYDGHJMG-JTNHKYCSSA-N 2 0 245.326 1.990 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCc1ccco1 ZINC000336682496 176618248 /nfs/dbraw/zinc/61/82/48/176618248.db2.gz JKQDBDRJXGKBSN-LLVKDONJSA-N 2 0 210.321 1.929 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000222959990 176730461 /nfs/dbraw/zinc/73/04/61/176730461.db2.gz FICWTUPZLYAVQX-IJLUTSLNSA-N 2 0 222.336 1.131 20 0 BDADRP C[C@H](c1ccccc1)[NH+]1CCN(CC[NH3+])CC1 ZINC000022793094 177038396 /nfs/dbraw/zinc/03/83/96/177038396.db2.gz VKKHMIJKHIMHLQ-CYBMUJFWSA-N 2 0 233.359 1.324 20 0 BDADRP C[C@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CCCO1 ZINC000061918604 177256983 /nfs/dbraw/zinc/25/69/83/177256983.db2.gz GZZXPBBUQKJQTN-NWDGAFQWSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@H](CC1CCOCC1)C[N@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000340670953 177256990 /nfs/dbraw/zinc/25/69/90/177256990.db2.gz HHHQQHYETUHBFH-DYEKYZERSA-N 2 0 240.391 1.718 20 0 BDADRP C[C@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)CCCO1 ZINC000251663817 177258525 /nfs/dbraw/zinc/25/85/25/177258525.db2.gz GZZXPBBUQKJQTN-RYUDHWBXSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@H]1COCC[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000300802246 177294985 /nfs/dbraw/zinc/29/49/85/177294985.db2.gz FDQYRRBLTWYDSI-RYUDHWBXSA-N 2 0 214.353 1.343 20 0 BDADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC1CCOCC1 ZINC000122308005 177323353 /nfs/dbraw/zinc/32/33/53/177323353.db2.gz ZROPDWXAVBUZMA-JQWIXIFHSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccc(F)c1 ZINC000122361803 177324331 /nfs/dbraw/zinc/32/43/31/177324331.db2.gz FCSGAFAURXGZER-JQWIXIFHSA-N 2 0 222.307 1.995 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCC2(O)CCC2)CC[N@@H+]1C ZINC000336744211 177330828 /nfs/dbraw/zinc/33/08/28/177330828.db2.gz PWHDNNYLCZOWDE-RYUDHWBXSA-N 2 0 226.364 1.364 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CCOCC1 ZINC000036908725 177330912 /nfs/dbraw/zinc/33/09/12/177330912.db2.gz XELTYXTXWBUVBC-NTZNESFSSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2)CC[NH2+]1 ZINC000073657633 177332001 /nfs/dbraw/zinc/33/20/01/177332001.db2.gz CPEGPWYNJYLPJR-AAEUAGOBSA-N 2 0 204.317 1.917 20 0 BDADRP C[C@H](CO)C[N@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000678043911 487637650 /nfs/dbraw/zinc/63/76/50/487637650.db2.gz JDEMJAHIDCQLAO-SDDRHHMPSA-N 2 0 214.353 1.029 20 0 BDADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(F)cc1 ZINC000122304877 177361383 /nfs/dbraw/zinc/36/13/83/177361383.db2.gz FEYHLHVXAXJXNO-CMPLNLGQSA-N 2 0 222.307 1.995 20 0 BDADRP C[C@H]1C[C@H](N(C)Cc2cccnc2)CC[N@@H+]1C ZINC000177056801 177365074 /nfs/dbraw/zinc/36/50/74/177365074.db2.gz ZZBBUONXOLFMQK-GXTWGEPZSA-N 2 0 233.359 1.996 20 0 BDADRP C[C@H]1C[C@H](NCCC[NH+](C)C)c2nccn21 ZINC000294051149 177369670 /nfs/dbraw/zinc/36/96/70/177369670.db2.gz JJBGXOFOMVDMBR-QWRGUYRKSA-N 2 0 222.336 1.430 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1cn[nH]c1 ZINC000353653494 177370082 /nfs/dbraw/zinc/37/00/82/177370082.db2.gz CTMGSVVXPOTIMW-MDZLAQPJSA-N 2 0 236.363 1.271 20 0 BDADRP C[C@@H](NC1CC[NH+](C2CC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000400400146 225163570 /nfs/dbraw/zinc/16/35/70/225163570.db2.gz PMUWQTQYVMTWLN-RISCZKNCSA-N 2 0 237.391 1.343 20 0 BDADRP CC(C)([NH3+])CC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000184224987 487647737 /nfs/dbraw/zinc/64/77/37/487647737.db2.gz FRRROQYAUNTYFK-UHFFFAOYSA-N 2 0 249.358 1.101 20 0 BDADRP COCC(C)(C)C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000494363879 226264294 /nfs/dbraw/zinc/26/42/94/226264294.db2.gz CYGWXSPWSJLHAR-GFCCVEGCSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H](CCCC[NH3+])NC(=O)C1(C[NH3+])CCCC1 ZINC000494688577 226268016 /nfs/dbraw/zinc/26/80/16/226268016.db2.gz UAACXDNQYWVOLF-LLVKDONJSA-N 2 0 241.379 1.139 20 0 BDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000495056732 226275335 /nfs/dbraw/zinc/27/53/35/226275335.db2.gz DJXJUMSJVPVNII-AAVRWANBSA-N 2 0 239.407 1.256 20 0 BDADRP C[C@H](NC[C@@H](O)CC(C)(C)C)[C@H]1CCC[NH2+]1 ZINC000400467785 226344417 /nfs/dbraw/zinc/34/44/17/226344417.db2.gz UFHNMYGTEYLQBE-SDDRHHMPSA-N 2 0 228.380 1.514 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCC[C@H]1CCOC1 ZINC000401918396 226363083 /nfs/dbraw/zinc/36/30/83/226363083.db2.gz CFDDFMMIXBRNHD-AVGNSLFASA-N 2 0 226.364 1.520 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCC[C@H]1CCOC1 ZINC000401949921 226363786 /nfs/dbraw/zinc/36/37/86/226363786.db2.gz YWAVXOOYEDKBQV-MELADBBJSA-N 2 0 240.391 1.910 20 0 BDADRP CCCN(C[C@@H]([NH3+])CC(C)C)C1CC[NH2+]CC1 ZINC000414660589 487662205 /nfs/dbraw/zinc/66/22/05/487662205.db2.gz VJOGVUNTBQVPGV-ZDUSSCGKSA-N 2 0 241.423 1.824 20 0 BDADRP C[NH+](C)Cc1ccc(NC(=O)CCCC[NH3+])cc1 ZINC000070202138 487662798 /nfs/dbraw/zinc/66/27/98/487662798.db2.gz JSDQMDDLLQWMOO-UHFFFAOYSA-N 2 0 249.358 1.816 20 0 BDADRP CCC(CC)C[NH2+][C@@H](CCC[NH3+])COC ZINC000232852869 487664482 /nfs/dbraw/zinc/66/44/82/487664482.db2.gz FFCXFOLBUOHXOX-LBPRGKRZSA-N 2 0 216.369 1.766 20 0 BDADRP C[C@H]1CCCC[C@H]1OCCN1CC[C@H]([NH3+])C1 ZINC000431087788 487665668 /nfs/dbraw/zinc/66/56/68/487665668.db2.gz BQNLMPMLPLCNGA-RWMBFGLXSA-N 2 0 226.364 1.615 20 0 BDADRP CC(C)[C@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000383756119 487670680 /nfs/dbraw/zinc/67/06/80/487670680.db2.gz KPTIDDAUEIVKHL-KBPBESRZSA-N 2 0 242.407 1.665 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](C)[C@H]1C ZINC000383805619 487675117 /nfs/dbraw/zinc/67/51/17/487675117.db2.gz UJKFXEMXYMNACD-MGPQQGTHSA-N 2 0 242.407 1.808 20 0 BDADRP C[C@@H](c1ccncc1)N1CCCO[C@H](C[NH3+])C1 ZINC000313349746 487684839 /nfs/dbraw/zinc/68/48/39/487684839.db2.gz IWNHWTCSBALAAY-WCQYABFASA-N 2 0 235.331 1.192 20 0 BDADRP C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000308900426 487693032 /nfs/dbraw/zinc/69/30/32/487693032.db2.gz DVSSEIQTJWBEFJ-USZNOCQGSA-N 2 0 228.405 1.988 20 0 BDADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@H]1CC1(C)C ZINC000397594457 262926922 /nfs/dbraw/zinc/92/69/22/262926922.db2.gz COASDONWYIQMNK-NWDGAFQWSA-N 2 0 240.391 1.467 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CS[C@@H](C)C1 ZINC000397801459 262934651 /nfs/dbraw/zinc/93/46/51/262934651.db2.gz LQEQZEVYBFKLIK-GARJFASQSA-N 2 0 232.393 1.224 20 0 BDADRP CCCN1CC[C@H]([NH2+][C@H](C)[C@H]2CCOC2)C1 ZINC000328507072 487700636 /nfs/dbraw/zinc/70/06/36/487700636.db2.gz LPCOJCHDOWQBEJ-AGIUHOORSA-N 2 0 226.364 1.485 20 0 BDADRP CCCN1CC[C@H]([NH2+][C@H](C)[C@@H]2CCOC2)C1 ZINC000328507074 487700651 /nfs/dbraw/zinc/70/06/51/487700651.db2.gz LPCOJCHDOWQBEJ-UPJWGTAASA-N 2 0 226.364 1.485 20 0 BDADRP COc1cc(Cl)ccc1C[NH2+]CCC[NH3+] ZINC000163279809 487708103 /nfs/dbraw/zinc/70/81/03/487708103.db2.gz XAKGTRSABGWSGF-UHFFFAOYSA-N 2 0 228.723 1.787 20 0 BDADRP Cc1cncc(C[NH+]2CCC(C[NH3+])CC2)c1 ZINC000228781145 487724374 /nfs/dbraw/zinc/72/43/74/487724374.db2.gz LPVWXCWDLKINGR-UHFFFAOYSA-N 2 0 219.332 1.561 20 0 BDADRP C[NH+](C)CC1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000678139294 487724909 /nfs/dbraw/zinc/72/49/09/487724909.db2.gz PHKBCTWSVUDSPA-UHFFFAOYSA-N 2 0 222.336 1.183 20 0 BDADRP c1cnn(CC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000250161174 487727438 /nfs/dbraw/zinc/72/74/38/487727438.db2.gz HQBDXROEGDIWGG-UONOGXRCSA-N 2 0 248.374 1.347 20 0 BDADRP CC[C@H](C)[N@H+](C)CCNC(=O)CC1([NH3+])CCC1 ZINC000226397241 487731655 /nfs/dbraw/zinc/73/16/55/487731655.db2.gz IFUKYRHLCVZSKX-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)C[NH2+]C(C)C)c1 ZINC000659305075 487741249 /nfs/dbraw/zinc/74/12/49/487741249.db2.gz YITRGUFQDUHAKQ-UHFFFAOYSA-N 2 0 235.331 1.343 20 0 BDADRP C[C@@H](O)C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076446186 487741601 /nfs/dbraw/zinc/74/16/01/487741601.db2.gz HJXITIXBKNPWJP-UKRRQHHQSA-N 2 0 248.370 1.479 20 0 BDADRP CC1(C[NH+]2CCN(c3cc[nH+]cc3)CC2)COC1 ZINC000675499328 487742660 /nfs/dbraw/zinc/74/26/60/487742660.db2.gz ICZCITAGCKMHOM-UHFFFAOYSA-N 2 0 247.342 1.240 20 0 BDADRP CCOC1CC[NH+](C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000233783296 487743541 /nfs/dbraw/zinc/74/35/41/487743541.db2.gz LUGGUGMBKRTBFT-OLZOCXBDSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1occc1C[NH2+]Cc1cnc(N(C)C)n1C ZINC000666232653 487765313 /nfs/dbraw/zinc/76/53/13/487765313.db2.gz JISCSOKAAKJUFB-UHFFFAOYSA-N 2 0 248.330 1.677 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)C(C)(C)C ZINC000381054892 487780380 /nfs/dbraw/zinc/78/03/80/487780380.db2.gz IZPJHDCDAMUMHC-NEPJUHHUSA-N 2 0 230.396 1.712 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+](CC)C2)CCO1 ZINC000251676392 487788887 /nfs/dbraw/zinc/78/88/87/487788887.db2.gz OZQWIKWLHYHXBE-HZSPNIEDSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](CC)C2)CCO1 ZINC000251676398 487788644 /nfs/dbraw/zinc/78/86/44/487788644.db2.gz OZQWIKWLHYHXBE-MGPQQGTHSA-N 2 0 240.391 1.875 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](CCOCc2ccccc2)C1 ZINC000307314688 487788791 /nfs/dbraw/zinc/78/87/91/487788791.db2.gz VPVGSMLFYJRMQJ-CQSZACIVSA-N 2 0 234.343 1.484 20 0 BDADRP CC[C@H]1C[N@H+](Cc2cnccc2C)CC[C@H]1[NH3+] ZINC000251733242 487793627 /nfs/dbraw/zinc/79/36/27/487793627.db2.gz KMTSZHUHSKIESE-GXTWGEPZSA-N 2 0 233.359 1.949 20 0 BDADRP CO[C@@H](C)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000223866083 487798571 /nfs/dbraw/zinc/79/85/71/487798571.db2.gz YPZVJCODTWSTJS-WDEREUQCSA-N 2 0 214.353 1.341 20 0 BDADRP [NH3+]CCCN(CCC[NH3+])c1cccc(F)c1 ZINC000415122135 487810097 /nfs/dbraw/zinc/81/00/97/487810097.db2.gz NLGMIHONPKKSBM-UHFFFAOYSA-N 2 0 225.311 1.330 20 0 BDADRP c1cc2c(c(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)c1)CCC2 ZINC000651651995 487812566 /nfs/dbraw/zinc/81/25/66/487812566.db2.gz RPLNYGQPEZORSK-GJZGRUSLSA-N 2 0 242.366 1.827 20 0 BDADRP Cn1cccc1[C@@H]1CCC[N@@H+]1CCC[NH3+] ZINC000414685453 487817944 /nfs/dbraw/zinc/81/79/44/487817944.db2.gz ZFOCYALGLSHCHQ-LBPRGKRZSA-N 2 0 207.321 1.511 20 0 BDADRP C[NH2+]CCSCC[NH+]1CCC(C)CC1 ZINC000569336700 322943264 /nfs/dbraw/zinc/94/32/64/322943264.db2.gz JWFGYGVVDJEZPO-UHFFFAOYSA-N 2 0 216.394 1.671 20 0 BDADRP O[C@H](C[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)C[NH+]1CCCC1 ZINC000403626089 322947370 /nfs/dbraw/zinc/94/73/70/322947370.db2.gz LXIIVVJQGCLEMQ-AAVRWANBSA-N 2 0 238.375 1.221 20 0 BDADRP CC(C)[C@@H](C[NH2+]CCC[NH3+])c1cccnc1 ZINC000415078320 487836219 /nfs/dbraw/zinc/83/62/19/487836219.db2.gz GLPKWLNVJCBRLD-CYBMUJFWSA-N 2 0 221.348 1.760 20 0 BDADRP [NH3+]CCC[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000415090995 487837184 /nfs/dbraw/zinc/83/71/84/487837184.db2.gz YLVCLMUEJHWPDC-ZDUSSCGKSA-N 2 0 233.359 1.451 20 0 BDADRP Cc1cccc(CC[NH2+][C@H]2CCC[NH2+]CC2)n1 ZINC000415105153 487837847 /nfs/dbraw/zinc/83/78/47/487837847.db2.gz MDQGTAGFWNDZMM-ZDUSSCGKSA-N 2 0 233.359 1.664 20 0 BDADRP CCNC(=[NH2+])NC[C@H](C(CC)CC)[NH+](C)C ZINC000848984295 588425057 /nfs/dbraw/zinc/42/50/57/588425057.db2.gz ITDLXNIRONQJNQ-LLVKDONJSA-N 2 0 228.384 1.487 20 0 BDADRP CC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000676362190 487841882 /nfs/dbraw/zinc/84/18/82/487841882.db2.gz VAGAJXZKTFJSTF-UHFFFAOYSA-N 2 0 205.305 1.614 20 0 BDADRP C[C@H]1C[C@H](C[N@H+](CCCO)C2CC2)CC[NH2+]1 ZINC000666640272 487848908 /nfs/dbraw/zinc/84/89/08/487848908.db2.gz RDZBRWVLQXNRSC-NWDGAFQWSA-N 2 0 226.364 1.221 20 0 BDADRP c1nc2ccccn2c1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000666763661 487852191 /nfs/dbraw/zinc/85/21/91/487852191.db2.gz MVKMGXPPAPDIRW-LBPRGKRZSA-N 2 0 244.342 1.424 20 0 BDADRP CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)CC)C1CC1 ZINC000323803435 487873551 /nfs/dbraw/zinc/87/35/51/487873551.db2.gz HCWJLQHBQSMWHG-NWDGAFQWSA-N 2 0 214.353 1.077 20 0 BDADRP C(NC1CC[NH+](CC2CC2)CC1)[C@H]1CCC[NH2+]1 ZINC000666783955 487879563 /nfs/dbraw/zinc/87/95/63/487879563.db2.gz VOLNZWWGIMXTLT-CQSZACIVSA-N 2 0 237.391 1.202 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)C1CCC1 ZINC000234810112 487881269 /nfs/dbraw/zinc/88/12/69/487881269.db2.gz ZDJDVKQOTHCEAS-PWSUYJOCSA-N 2 0 214.353 1.519 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000229191349 487888763 /nfs/dbraw/zinc/88/87/63/487888763.db2.gz MDVFFIBNXHSSDB-STQMWFEESA-N 2 0 246.354 1.833 20 0 BDADRP C[C@@H](CC1CCOCC1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666857662 487891891 /nfs/dbraw/zinc/89/18/91/487891891.db2.gz DIWULLMDQAJWAE-JSGCOSHPSA-N 2 0 240.391 1.923 20 0 BDADRP COC[C@H](C)C[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000666921636 487906155 /nfs/dbraw/zinc/90/61/55/487906155.db2.gz KNQKCVLWVXIHKE-GRYCIOLGSA-N 2 0 214.353 1.376 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCOc2ccccc21)[C@H](C)[NH3+] ZINC000666930224 487907570 /nfs/dbraw/zinc/90/75/70/487907570.db2.gz ANKQAKYHGFSFDO-TUAOUCFPSA-N 2 0 234.343 1.878 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000229367080 487910739 /nfs/dbraw/zinc/91/07/39/487910739.db2.gz WZTRCIHZRCNMBQ-OLZOCXBDSA-N 2 0 238.375 1.759 20 0 BDADRP CC(C)[NH+]1CCC(NC[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000666946506 487911213 /nfs/dbraw/zinc/91/12/13/487911213.db2.gz GCJJXMIMCUHSAM-AAEUAGOBSA-N 2 0 243.370 1.149 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666955347 487915266 /nfs/dbraw/zinc/91/52/66/487915266.db2.gz ATPBXLZAWSASMQ-VXGBXAGGSA-N 3 0 225.380 1.092 20 0 BDADRP C[C@H]1CN(CC[NH3+])CCc2ccc(F)cc21 ZINC000652363470 487932780 /nfs/dbraw/zinc/93/27/80/487932780.db2.gz FMLYGTYVEQKDRJ-JTQLQIEISA-N 2 0 222.307 1.746 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCCCN1)C1CCOCC1 ZINC000235223018 487936561 /nfs/dbraw/zinc/93/65/61/487936561.db2.gz RYOOYHLGWXRBMR-YPMHNXCESA-N 2 0 226.364 1.533 20 0 BDADRP CC(C)Cn1cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cn1 ZINC000564729854 323011838 /nfs/dbraw/zinc/01/18/38/323011838.db2.gz USPNNLRGNPJSCS-NWDGAFQWSA-N 2 0 238.379 1.755 20 0 BDADRP CC(C)Cn1cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cn1 ZINC000564729856 323011935 /nfs/dbraw/zinc/01/19/35/323011935.db2.gz USPNNLRGNPJSCS-VXGBXAGGSA-N 2 0 238.379 1.755 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)CCCOC)C1 ZINC000247251008 323012514 /nfs/dbraw/zinc/01/25/14/323012514.db2.gz ZSHZKVCJLAFNML-CHWSQXEVSA-N 2 0 228.380 1.733 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCO2)CC[N@@H+]1C ZINC000248057235 323015915 /nfs/dbraw/zinc/01/59/15/323015915.db2.gz XNDPVXOEVNKIOQ-GRYCIOLGSA-N 2 0 212.337 1.238 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000248169662 323016351 /nfs/dbraw/zinc/01/63/51/323016351.db2.gz UNGKBHREGIHFAV-QNWHQSFQSA-N 2 0 228.380 1.466 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccncc1 ZINC000565141736 323031828 /nfs/dbraw/zinc/03/18/28/323031828.db2.gz GUPXNUMDPNIJGB-VTXSZYRJSA-N 2 0 231.343 1.687 20 0 BDADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)CCCC[NH3+] ZINC000569690366 323037159 /nfs/dbraw/zinc/03/71/59/323037159.db2.gz RSOAOHRRMFCSGH-GFCCVEGCSA-N 2 0 241.379 1.106 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC2(CF)CCOCC2)C1 ZINC000569708977 323038038 /nfs/dbraw/zinc/03/80/38/323038038.db2.gz WZJKCDCLEVFDKS-NEPJUHHUSA-N 2 0 244.354 1.612 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC1(O)Cc2ccccc2C1 ZINC000569957565 323045727 /nfs/dbraw/zinc/04/57/27/323045727.db2.gz KENNNDYZXWUTMO-RYUDHWBXSA-N 2 0 248.370 1.232 20 0 BDADRP C[C@H]1C[C@@H](C[NH+]2CCC(CCO)CC2)CC[NH2+]1 ZINC000570380587 323057768 /nfs/dbraw/zinc/05/77/68/323057768.db2.gz LLSWEAAXMSMMLB-JSGCOSHPSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@H]1C[C@H](C[NH+]2CCC(CCO)CC2)CC[NH2+]1 ZINC000570380586 323057825 /nfs/dbraw/zinc/05/78/25/323057825.db2.gz LLSWEAAXMSMMLB-GXTWGEPZSA-N 2 0 240.391 1.469 20 0 BDADRP Cc1noc(CCC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000570528780 323062435 /nfs/dbraw/zinc/06/24/35/323062435.db2.gz DLYMWFVVKFKEBR-GHMZBOCLSA-N 2 0 238.335 1.170 20 0 BDADRP CCc1noc([C@H](C)N2CCC[C@@H](C[NH3+])C2)n1 ZINC000570843599 323072153 /nfs/dbraw/zinc/07/21/53/323072153.db2.gz LFKGCKBPBVMYEV-UWVGGRQHSA-N 2 0 238.335 1.364 20 0 BDADRP CN(Cc1cncn1C)C[C@H]1CCC[N@H+](C)C1 ZINC000177079702 323077046 /nfs/dbraw/zinc/07/70/46/323077046.db2.gz ZYELJMVGZSBJSN-LBPRGKRZSA-N 2 0 236.363 1.194 20 0 BDADRP CCOC(=O)CCCC[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000567735509 323079641 /nfs/dbraw/zinc/07/96/41/323079641.db2.gz LNNRDGQNBMQMJC-GFCCVEGCSA-N 2 0 242.363 1.391 20 0 BDADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000563152489 323095793 /nfs/dbraw/zinc/09/57/93/323095793.db2.gz KCEYVXYXLMFCFZ-ICIURTGMSA-N 2 0 237.391 1.201 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](CO)c2ccsc2)C1 ZINC000563423736 323124229 /nfs/dbraw/zinc/12/42/29/323124229.db2.gz IVBSAVIEKYECEP-GRYCIOLGSA-N 2 0 240.372 1.641 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cnn3ccccc23)C1 ZINC000563429745 323124979 /nfs/dbraw/zinc/12/49/79/323124979.db2.gz ZMDQMVDWOQQKCA-QWHCGFSZSA-N 2 0 244.342 1.694 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cnn3ccccc23)C1 ZINC000563429743 323125036 /nfs/dbraw/zinc/12/50/36/323125036.db2.gz ZMDQMVDWOQQKCA-CHWSQXEVSA-N 2 0 244.342 1.694 20 0 BDADRP Cc1ccc(CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000563427346 323126146 /nfs/dbraw/zinc/12/61/46/323126146.db2.gz YZGBQJOUZSUZGR-ZIAGYGMSSA-N 2 0 233.359 1.792 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C1 ZINC000571225898 323138624 /nfs/dbraw/zinc/13/86/24/323138624.db2.gz DTNCPASGLWPPQV-QWHCGFSZSA-N 3 0 244.342 1.694 20 0 BDADRP Cc1cnc(CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)nc1 ZINC000571418747 323144399 /nfs/dbraw/zinc/14/43/99/323144399.db2.gz YYRSEDXDRJNBTK-VXGBXAGGSA-N 2 0 234.347 1.187 20 0 BDADRP Cc1cnccc1C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000302255764 323153459 /nfs/dbraw/zinc/15/34/59/323153459.db2.gz BGRVPYSHBSYGBE-CYBMUJFWSA-N 2 0 233.359 1.868 20 0 BDADRP CN1CCC[C@H]1C[NH2+]CC1=CCCOC1 ZINC000124671359 323153593 /nfs/dbraw/zinc/15/35/93/323153593.db2.gz OLHRZGNJOZCVTE-LBPRGKRZSA-N 2 0 210.321 1.017 20 0 BDADRP CC(C)[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000305150710 323167844 /nfs/dbraw/zinc/16/78/44/323167844.db2.gz TXPSNDRNHHAGIQ-UONOGXRCSA-N 2 0 240.391 1.467 20 0 BDADRP Cc1nc(CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c(C)o1 ZINC000563735404 323176658 /nfs/dbraw/zinc/17/66/58/323176658.db2.gz ZOICIYVHKOPNGB-NWDGAFQWSA-N 2 0 237.347 1.693 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](CC2(F)CC2)CC1 ZINC000307318024 323177204 /nfs/dbraw/zinc/17/72/04/323177204.db2.gz LPODELWUCXFIOL-VIFPVBQESA-N 2 0 200.301 1.548 20 0 BDADRP CC[NH+]1CCC(C[NH2+]Cc2cnc(C)nc2)CC1 ZINC000563867598 323181726 /nfs/dbraw/zinc/18/17/26/323181726.db2.gz MTLUHBFPBVYEES-UHFFFAOYSA-N 2 0 248.374 1.607 20 0 BDADRP C[C@H](C[NH3+])NC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000417804469 323185005 /nfs/dbraw/zinc/18/50/05/323185005.db2.gz GLPMCNJDCZFCEQ-PWSUYJOCSA-N 2 0 249.358 1.176 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CCCOC1)[C@@H]1CCC[NH2+]1 ZINC000530214248 323216492 /nfs/dbraw/zinc/21/64/92/323216492.db2.gz VZTFQYPCAKDARV-UPJWGTAASA-N 2 0 226.364 1.533 20 0 BDADRP COc1ccc(CC[NH2+][C@@H]2CNCC[C@@H]2C)cn1 ZINC000530218969 323217884 /nfs/dbraw/zinc/21/78/84/323217884.db2.gz IHPHXLORXFYZHQ-WCQYABFASA-N 2 0 249.358 1.220 20 0 BDADRP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000530222187 323218348 /nfs/dbraw/zinc/21/83/48/323218348.db2.gz GBXYEKKIZNMRLG-YUXHRAGNSA-N 2 0 240.391 1.905 20 0 BDADRP CC[C@H]([NH2+]CCN1CC[C@@H](C)C1)[C@@H]1CCOC1 ZINC000532530481 323272977 /nfs/dbraw/zinc/27/29/77/323272977.db2.gz OBFXGOAAUQFETQ-MCIONIFRSA-N 2 0 240.391 1.733 20 0 BDADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)CC ZINC000122792512 324058239 /nfs/dbraw/zinc/05/82/39/324058239.db2.gz UIQYAVRKGYHJSF-NWDGAFQWSA-N 2 0 216.369 1.731 20 0 BDADRP CC[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)C1CCOCC1 ZINC000521736682 324191933 /nfs/dbraw/zinc/19/19/33/324191933.db2.gz UVWXTPMYMILRFU-TZMCWYRMSA-N 2 0 242.407 1.979 20 0 BDADRP COCCC1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000530205206 324523305 /nfs/dbraw/zinc/52/33/05/324523305.db2.gz DNYJCEVQQDXRRW-UHFFFAOYSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@@H](N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1CCCC[NH2+]1 ZINC000530215798 324531541 /nfs/dbraw/zinc/53/15/41/324531541.db2.gz JDJGARITWZBXJK-FRRDWIJNSA-N 2 0 237.391 1.391 20 0 BDADRP C[C@H](N[C@H]1CC[NH2+]C12CCC2)[C@H]1CCC[NH2+]1 ZINC000530215872 324532158 /nfs/dbraw/zinc/53/21/58/324532158.db2.gz JVIIZJCKGIEKLG-TUAOUCFPSA-N 2 0 223.364 1.001 20 0 BDADRP COCCCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000130113212 325014975 /nfs/dbraw/zinc/01/49/75/325014975.db2.gz MQAKSRLDYMOMKS-NEPJUHHUSA-N 2 0 214.353 1.485 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@@H]1CCC[NH+](C)C1 ZINC000130727173 325082377 /nfs/dbraw/zinc/08/23/77/325082377.db2.gz CZRYIQJPTUKPFP-RDBSUJKOSA-N 2 0 239.407 1.258 20 0 BDADRP C[C@@H](C[NH+](C)C)N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132221381 325205258 /nfs/dbraw/zinc/20/52/58/325205258.db2.gz CAGDPJHWDCHYHU-LEWSCRJBSA-N 2 0 233.359 1.671 20 0 BDADRP C[C@@H]1SCC[N@H+](C[C@@H]2CC[NH2+]C2)[C@H]1C ZINC000158590806 487967798 /nfs/dbraw/zinc/96/77/98/487967798.db2.gz CCSVXVCDJIGQOH-GARJFASQSA-N 2 0 214.378 1.422 20 0 BDADRP C[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000564989690 325841338 /nfs/dbraw/zinc/84/13/38/325841338.db2.gz XJPXFIZENBMYTF-BXUZGUMPSA-N 2 0 234.343 1.660 20 0 BDADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)[C@@H]1CCOC1 ZINC000158662449 487970686 /nfs/dbraw/zinc/97/06/86/487970686.db2.gz OCFMEYLTNVFEPM-DGCLKSJQSA-N 2 0 226.364 1.391 20 0 BDADRP COCC1(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000566219095 326016523 /nfs/dbraw/zinc/01/65/23/326016523.db2.gz ALNNJYIWEUISRO-QWHCGFSZSA-N 2 0 240.391 1.875 20 0 BDADRP CN(C)c1ccccc1C[N@H+](C)CCC[NH3+] ZINC000566225717 326018630 /nfs/dbraw/zinc/01/86/30/326018630.db2.gz HDIDNWXWFFXFNK-UHFFFAOYSA-N 2 0 221.348 1.533 20 0 BDADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCN(C)c1ccccc1 ZINC000566412583 326041197 /nfs/dbraw/zinc/04/11/97/326041197.db2.gz HZACMSQRLOVWME-UONOGXRCSA-N 2 0 247.386 1.934 20 0 BDADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCCC2(CCCC2)C1 ZINC000566625288 326069597 /nfs/dbraw/zinc/06/95/97/326069597.db2.gz LAJNUZGDWOOWKM-ZDUSSCGKSA-N 2 0 240.391 1.613 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)CC[NH2+]C2CC2)cc1 ZINC000566631069 326070603 /nfs/dbraw/zinc/07/06/03/326070603.db2.gz SFZKUNRHVBXEMN-UHFFFAOYSA-N 2 0 233.315 1.226 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@H](F)C1)[C@@H]1CCC[NH2+]1 ZINC000566856206 326089010 /nfs/dbraw/zinc/08/90/10/326089010.db2.gz SRWCPVOTBCEITE-BJDJZHNGSA-N 2 0 214.328 1.997 20 0 BDADRP C[C@@]1(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)CC[NH2+]C1 ZINC000566973401 326098469 /nfs/dbraw/zinc/09/84/69/326098469.db2.gz KLDCXWUEBOLYLG-FRRDWIJNSA-N 2 0 224.348 1.097 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000567502298 326205850 /nfs/dbraw/zinc/20/58/50/326205850.db2.gz FAWWPLOCGAGBRV-NEPJUHHUSA-N 3 0 225.380 1.045 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000567502301 326205975 /nfs/dbraw/zinc/20/59/75/326205975.db2.gz FAWWPLOCGAGBRV-VXGBXAGGSA-N 3 0 225.380 1.045 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000567502299 326206133 /nfs/dbraw/zinc/20/61/33/326206133.db2.gz FAWWPLOCGAGBRV-NWDGAFQWSA-N 3 0 225.380 1.045 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH+]1C)CC1CCOCC1 ZINC000155773026 326211596 /nfs/dbraw/zinc/21/15/96/326211596.db2.gz LJCAHKNRQWJQSB-AWEZNQCLSA-N 2 0 240.391 1.829 20 0 BDADRP CC[NH2+]CCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000567579847 326221731 /nfs/dbraw/zinc/22/17/31/326221731.db2.gz MDKYKXWQTYPILZ-JHJVBQTASA-N 2 0 238.375 1.533 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000567654266 326239163 /nfs/dbraw/zinc/23/91/63/326239163.db2.gz KIMJIOJPESNIMG-QWHCGFSZSA-N 3 0 223.364 1.156 20 0 BDADRP COC[C@H]([NH2+]CCN1CCC[C@H](C)C1)C(C)C ZINC000156700272 326240025 /nfs/dbraw/zinc/24/00/25/326240025.db2.gz KOWPQWWRQYRUCM-KBPBESRZSA-N 2 0 242.407 1.979 20 0 BDADRP CCC[C@H](C)[C@@H]1CCC[N@@H+]1CCOCC[NH3+] ZINC000568051609 326300494 /nfs/dbraw/zinc/30/04/94/326300494.db2.gz UEIUOIBCSCTIFQ-STQMWFEESA-N 2 0 228.380 1.862 20 0 BDADRP C[C@@H]1CCCC[N@@H+]1CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000568248509 326334240 /nfs/dbraw/zinc/33/42/40/326334240.db2.gz SXMHPSRBMRXWRT-MCIONIFRSA-N 2 0 239.407 1.720 20 0 BDADRP CCn1ccnc1C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000568845350 326379148 /nfs/dbraw/zinc/37/91/48/326379148.db2.gz ZLACFFWDXWLDDV-NEPJUHHUSA-N 2 0 236.363 1.510 20 0 BDADRP C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)[C@H]1CCC[NH2+]1 ZINC000568868818 326380253 /nfs/dbraw/zinc/38/02/53/326380253.db2.gz PUUMMYRAYGFCPT-FRRDWIJNSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCF ZINC000569093431 326389238 /nfs/dbraw/zinc/38/92/38/326389238.db2.gz VIPYLJCLGTWEBZ-YPMHNXCESA-N 2 0 224.323 1.894 20 0 BDADRP CC[NH2+]CCCN[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000569106205 326390485 /nfs/dbraw/zinc/39/04/85/326390485.db2.gz UBGHLSGHZNTPOS-DGCLKSJQSA-N 2 0 225.380 1.058 20 0 BDADRP C[NH2+][C@H](C)Cc1noc([C@H]2CCCCC[NH2+]2)n1 ZINC000572640630 326402348 /nfs/dbraw/zinc/40/23/48/326402348.db2.gz BSWNYJLKNSQDDV-NXEZZACHSA-N 2 0 238.335 1.425 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2ncc[nH]2)CC1 ZINC000572906930 326418645 /nfs/dbraw/zinc/41/86/45/326418645.db2.gz VQVQKXBLDBGRSO-LLVKDONJSA-N 2 0 236.363 1.792 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCOCC1CCC1 ZINC000573197708 326434583 /nfs/dbraw/zinc/43/45/83/326434583.db2.gz VVOMZCCBXFRIMZ-JSGCOSHPSA-N 2 0 240.391 1.781 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000400468348 487980428 /nfs/dbraw/zinc/98/04/28/487980428.db2.gz UKMZCXYTGMCUMS-AVGNSLFASA-N 2 0 225.380 1.201 20 0 BDADRP O[C@H](C[NH2+][C@@H]1CC=CCC1)C[NH+]1CCCC1 ZINC000084067849 487991366 /nfs/dbraw/zinc/99/13/66/487991366.db2.gz DQFOQFAXRBNOFV-CHWSQXEVSA-N 2 0 224.348 1.141 20 0 BDADRP C[N@H+](CCCC1CC[NH2+]CC1)[C@@H]1CCOC1 ZINC000134717556 487996452 /nfs/dbraw/zinc/99/64/52/487996452.db2.gz ZDMFLWSUJPFTBC-CYBMUJFWSA-N 2 0 226.364 1.487 20 0 BDADRP C(CN1CCCC1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400962535 488011482 /nfs/dbraw/zinc/01/14/82/488011482.db2.gz GKKSASOTRDVWJL-MELADBBJSA-N 2 0 237.391 1.060 20 0 BDADRP C[C@@H](CNc1[nH+]ccc2[nH]ccc21)[NH+](C)C ZINC000663438389 488012216 /nfs/dbraw/zinc/01/22/16/488012216.db2.gz GLTZEKFXCHIEJA-VIFPVBQESA-N 2 0 218.304 1.925 20 0 BDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC(C)(C)CO ZINC000135082356 488012714 /nfs/dbraw/zinc/01/27/14/488012714.db2.gz GLLLMQMEFQCJKF-CHWSQXEVSA-N 2 0 242.407 1.905 20 0 BDADRP CC(C)(CO)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000135080695 488013353 /nfs/dbraw/zinc/01/33/53/488013353.db2.gz QPEUSBGGYGHMHJ-FRRDWIJNSA-N 2 0 240.391 1.515 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+]C1CCSCC1 ZINC000049553883 488018366 /nfs/dbraw/zinc/01/83/66/488018366.db2.gz XXGCBYOMBYUBCO-SNVBAGLBSA-N 2 0 216.394 1.812 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCO1 ZINC000084215651 488037907 /nfs/dbraw/zinc/03/79/07/488037907.db2.gz QHZLLDGSUBSZRG-WOPDTQHZSA-N 2 0 212.337 1.273 20 0 BDADRP Cc1ncc(CN2CCOCC2(C)C)n1C ZINC000667544129 488041361 /nfs/dbraw/zinc/04/13/61/488041361.db2.gz XBOMLCXPGQBJHE-UHFFFAOYSA-N 2 0 223.320 1.339 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414919612 488083626 /nfs/dbraw/zinc/08/36/26/488083626.db2.gz VHCAIDWSDURPOJ-GRYCIOLGSA-N 2 0 213.369 1.219 20 0 BDADRP CC(C)[NH2+][C@@H]1CCCN(CC[C@H](C)O)C1 ZINC000257768449 488087136 /nfs/dbraw/zinc/08/71/36/488087136.db2.gz FUKDVJPRHWJBFP-NWDGAFQWSA-N 2 0 214.353 1.220 20 0 BDADRP CC[NH2+]Cc1ccccc1NC(=O)[C@H](C)[NH+](C)C ZINC000237073634 488100635 /nfs/dbraw/zinc/10/06/35/488100635.db2.gz DXFHQARYWBOJPA-NSHDSACASA-N 2 0 249.358 1.685 20 0 BDADRP COc1cccc(CN2CCC([NH3+])CC2)c1F ZINC000084942722 488114945 /nfs/dbraw/zinc/11/49/45/488114945.db2.gz GRSVYYGHYCBGLE-UHFFFAOYSA-N 2 0 238.306 1.757 20 0 BDADRP C[C@H](C(=O)N(C)CCC[NH3+])[C@@H]([NH3+])c1ccccc1 ZINC000669511871 488117232 /nfs/dbraw/zinc/11/72/32/488117232.db2.gz KRGKEFADZWLLGU-WCQYABFASA-N 2 0 249.358 1.130 20 0 BDADRP CN(CCC[NH3+])C(=O)CC1(C[NH3+])CCCCC1 ZINC000669512098 488118095 /nfs/dbraw/zinc/11/80/95/488118095.db2.gz VPZPKZAQUIZILI-UHFFFAOYSA-N 2 0 241.379 1.093 20 0 BDADRP [NH3+]CC1(O)CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000403444623 488124590 /nfs/dbraw/zinc/12/45/90/488124590.db2.gz DSSNTQONHNTWHK-UPJWGTAASA-N 2 0 238.375 1.208 20 0 BDADRP Cc1nccn1CC[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000667822677 488128503 /nfs/dbraw/zinc/12/85/03/488128503.db2.gz QHHMDALPHQQFHJ-STQMWFEESA-N 2 0 235.331 1.349 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000667823482 488130140 /nfs/dbraw/zinc/13/01/40/488130140.db2.gz SIBJOFYVQNVTPB-RAIGVLPGSA-N 2 0 226.364 1.484 20 0 BDADRP C[NH+](C)CCC1CC[NH+]([C@@H]2CCCOC2)CC1 ZINC000674301767 487554948 /nfs/dbraw/zinc/55/49/48/487554948.db2.gz GDHNHWOGMRDFDS-CQSZACIVSA-N 2 0 240.391 1.829 20 0 BDADRP COc1ccc(CC[NH2+]CCC[NH3+])cc1F ZINC000258857435 488140791 /nfs/dbraw/zinc/14/07/91/488140791.db2.gz YFRILGDUUXGYRV-UHFFFAOYSA-N 2 0 226.295 1.315 20 0 BDADRP CCN(CC[NH3+])CCOc1cccc(Cl)c1 ZINC000231819481 487477196 /nfs/dbraw/zinc/47/71/96/487477196.db2.gz JAKMMEVQRJDZOI-UHFFFAOYSA-N 2 0 242.750 1.999 20 0 BDADRP CCOc1ccc(CN(CC)CC[NH3+])cc1 ZINC000231818894 487477707 /nfs/dbraw/zinc/47/77/07/487477707.db2.gz GLKRFCJAJWTPLC-UHFFFAOYSA-N 2 0 222.332 1.866 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)C1CCCC1 ZINC000381082918 487494540 /nfs/dbraw/zinc/49/45/40/487494540.db2.gz RXALDGRPKUPATA-WCQYABFASA-N 2 0 228.380 1.467 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C2CC2)C1 ZINC000399987810 487499496 /nfs/dbraw/zinc/49/94/96/487499496.db2.gz CYNUDQSWNUAYJE-UONOGXRCSA-N 2 0 240.391 1.419 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CN(CCC(C)(C)C2CC2)CCO1 ZINC000406078703 487499927 /nfs/dbraw/zinc/49/99/27/487499927.db2.gz WCEZRFIQTKBOFE-YPMHNXCESA-N 2 0 240.391 1.861 20 0 BDADRP CC(C)C[C@@H](CO)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000040775319 487515773 /nfs/dbraw/zinc/51/57/73/487515773.db2.gz RGOYLQFGYKEIJU-OCCSQVGLSA-N 2 0 242.407 1.713 20 0 BDADRP CC[NH+](CC)[C@H]1CCN(C[C@H]2CC[NH2+]C2)C1 ZINC000249973074 487525857 /nfs/dbraw/zinc/52/58/57/487525857.db2.gz PHQJXJAMKJLHRH-STQMWFEESA-N 2 0 225.380 1.012 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](C[C@H]2CCOc3ccccc32)C1 ZINC000162065550 487534747 /nfs/dbraw/zinc/53/47/47/487534747.db2.gz MDVFFIBNXHSSDB-CHWSQXEVSA-N 2 0 246.354 1.833 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)CC(C)(C)[NH3+])cc1 ZINC000669520241 488139829 /nfs/dbraw/zinc/13/98/29/488139829.db2.gz JBEQCZQXBLNMKN-UHFFFAOYSA-N 2 0 235.331 1.472 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+][C@H](CO)Cc2ccccc2)C1 ZINC000093216080 488140016 /nfs/dbraw/zinc/14/00/16/488140016.db2.gz FSDRREZNGRPVKW-ZNMIVQPWSA-N 2 0 248.370 1.450 20 0 BDADRP CN1CCC([NH2+]CCC2CC[NH2+]CC2)CC1 ZINC000258901800 488142431 /nfs/dbraw/zinc/14/24/31/488142431.db2.gz DKZFIMMSXUEJSD-UHFFFAOYSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@@H]1C[C@H](NCC2([NH+](C)C)CC2)CC[N@@H+]1C ZINC000397780389 488149352 /nfs/dbraw/zinc/14/93/52/488149352.db2.gz ORKLILSFYLHUBB-VXGBXAGGSA-N 2 0 225.380 1.153 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657859211 488152358 /nfs/dbraw/zinc/15/23/58/488152358.db2.gz RBVOKQATTJDJPO-RYUDHWBXSA-N 2 0 226.364 1.628 20 0 BDADRP CC(C)C[C@@H]([NH3+])c1noc([C@H](C[NH3+])C(C)C)n1 ZINC000339394686 488155005 /nfs/dbraw/zinc/15/50/05/488155005.db2.gz JTSIIBWSPMTWCQ-NXEZZACHSA-N 2 0 240.351 1.814 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)[C@H]1C[C@H]1C ZINC000321909995 488161223 /nfs/dbraw/zinc/16/12/23/488161223.db2.gz PIEUEAFCFHKPSG-LPWJVIDDSA-N 2 0 210.365 1.962 20 0 BDADRP C(CN1CCCC1)[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000667927993 488161288 /nfs/dbraw/zinc/16/12/88/488161288.db2.gz MKKJKIWYVYHODM-QWHCGFSZSA-N 2 0 224.348 1.239 20 0 BDADRP C[C@@H]1CCN(CC[NH2+][C@@H]2CO[C@@H](C3CC3)C2)C1 ZINC000667934547 488162188 /nfs/dbraw/zinc/16/21/88/488162188.db2.gz OKHCGRMHPUYKIP-KWCYVHTRSA-N 2 0 238.375 1.485 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)CC[C@H]1C ZINC000380145001 488175286 /nfs/dbraw/zinc/17/52/86/488175286.db2.gz HDYLLEYHSVZEBB-MCIONIFRSA-N 2 0 242.407 1.808 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CCC12CCOCC2 ZINC000683525906 488186904 /nfs/dbraw/zinc/18/69/04/488186904.db2.gz LHINQKXZTMFTSS-UHFFFAOYSA-N 2 0 240.391 1.973 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](CCO)C1 ZINC000678075737 488191308 /nfs/dbraw/zinc/19/13/08/488191308.db2.gz NYRUHSRJLSKCRM-UONOGXRCSA-N 2 0 240.391 1.565 20 0 BDADRP C[C@@H]1COCCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000678080932 488193046 /nfs/dbraw/zinc/19/30/46/488193046.db2.gz QGQSYUUINLPYNS-OLZOCXBDSA-N 2 0 226.364 1.582 20 0 BDADRP CN(Cc1cccs1)C[C@H]1C[NH2+]CCO1 ZINC000043802219 488208974 /nfs/dbraw/zinc/20/89/74/488208974.db2.gz RVWBGMIGUGVPJM-SNVBAGLBSA-N 2 0 226.345 1.168 20 0 BDADRP C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)C1CCC1 ZINC000398610764 488220604 /nfs/dbraw/zinc/22/06/04/488220604.db2.gz AVLOGCHNSZCMSH-CYBMUJFWSA-N 2 0 208.349 1.862 20 0 BDADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cn[nH]c2)C[C@@H]1C ZINC000678277141 488235873 /nfs/dbraw/zinc/23/58/73/488235873.db2.gz RLTIHDYIUBTOIH-WCQYABFASA-N 2 0 236.363 1.714 20 0 BDADRP CCNC(=O)C[N@H+](C)CCCc1ccc(C)nc1 ZINC000684357015 488299616 /nfs/dbraw/zinc/29/96/16/488299616.db2.gz NSKOUWZZKBILCH-UHFFFAOYSA-N 2 0 249.358 1.391 20 0 BDADRP c1cc(N2CC[NH+](C[C@@H]3CCCO3)CC2)cc[nH+]1 ZINC000679438480 488351973 /nfs/dbraw/zinc/35/19/73/488351973.db2.gz YLPPFFJYCHQBLV-AWEZNQCLSA-N 2 0 247.342 1.383 20 0 BDADRP c1cc(N2CC[NH+](C[C@H]3CCCO3)CC2)cc[nH+]1 ZINC000679438481 488351985 /nfs/dbraw/zinc/35/19/85/488351985.db2.gz YLPPFFJYCHQBLV-CQSZACIVSA-N 2 0 247.342 1.383 20 0 BDADRP CC(C)C[C@H](C[NH3+])CC(=O)N[C@H](C)CCC[NH3+] ZINC000662568449 490095447 /nfs/dbraw/zinc/09/54/47/490095447.db2.gz NZMWGQZFFMQHSO-NEPJUHHUSA-N 2 0 243.395 1.241 20 0 BDADRP C(C[NH2+][C@H]1CCCOC1)C[NH+]1CCCC1 ZINC000069606476 490174672 /nfs/dbraw/zinc/17/46/72/490174672.db2.gz HDEQUJLBSKUEML-LBPRGKRZSA-N 2 0 212.337 1.241 20 0 BDADRP C(C[NH2+][C@@H]1CCCOC1)C[NH+]1CCCCC1 ZINC000070011701 490196579 /nfs/dbraw/zinc/19/65/79/490196579.db2.gz AOPSUTFMPSWTPZ-CYBMUJFWSA-N 2 0 226.364 1.631 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](C)CC2)C1 ZINC000070327332 490208226 /nfs/dbraw/zinc/20/82/26/490208226.db2.gz OHALIQMGWXNSLY-ZIAGYGMSSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)C[C@@H](CNC(=O)[C@H](C)[NH+](C)C)[NH+](C)C ZINC000078741293 490225272 /nfs/dbraw/zinc/22/52/72/490225272.db2.gz XHVMKKZSRRPSKF-RYUDHWBXSA-N 2 0 243.395 1.029 20 0 BDADRP CC[C@H](O)[C@H](CC)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000313085684 490247308 /nfs/dbraw/zinc/24/73/08/490247308.db2.gz KNPIIQWCXJOWAE-BJDJZHNGSA-N 2 0 214.353 1.395 20 0 BDADRP COCCC[N@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000123966783 490271030 /nfs/dbraw/zinc/27/10/30/490271030.db2.gz ORPVWOOOWXVRQD-UHFFFAOYSA-N 2 0 248.370 1.801 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCCn2ccnc2)C1 ZINC000086402613 490414414 /nfs/dbraw/zinc/41/44/14/490414414.db2.gz YMYTZHFKQOGAMO-RYUDHWBXSA-N 2 0 222.336 1.133 20 0 BDADRP CCC(O)(CC)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000087014777 491065398 /nfs/dbraw/zinc/06/53/98/491065398.db2.gz FVRWWCLJTWOGLD-LBPRGKRZSA-N 2 0 242.407 1.857 20 0 BDADRP Oc1ccc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000221391997 491119912 /nfs/dbraw/zinc/11/99/12/491119912.db2.gz ZSMJOYUVLVHFQC-GXTWGEPZSA-N 2 0 232.327 1.576 20 0 BDADRP CC/C=C/C[NH2+][C@H](CCC[NH3+])COC ZINC000394976876 491122860 /nfs/dbraw/zinc/12/28/60/491122860.db2.gz ULYUOSOYVXDYSM-SGUJLRQBSA-N 2 0 200.326 1.296 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccncc2)C1 ZINC000086402369 491123867 /nfs/dbraw/zinc/12/38/67/491123867.db2.gz VLRXSHVMRFIHKG-NEPJUHHUSA-N 2 0 205.305 1.441 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ncc[nH]1 ZINC000124803030 491128590 /nfs/dbraw/zinc/12/85/90/491128590.db2.gz IKDFTZFNJXQBIR-JTQLQIEISA-N 2 0 222.336 1.402 20 0 BDADRP C[C@H](CCCCO)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000309810838 491156396 /nfs/dbraw/zinc/15/63/96/491156396.db2.gz YXSHRFSJYPRXRN-OLZOCXBDSA-N 2 0 228.380 1.469 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@]1(C)CCCO1 ZINC000428221558 533838766 /nfs/dbraw/zinc/83/87/66/533838766.db2.gz KWHKMRCUKQXRKB-JSGCOSHPSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCC[C@H]1CCOC1 ZINC000401945489 533844546 /nfs/dbraw/zinc/84/45/46/533844546.db2.gz VURWICOZCKESQH-OLZOCXBDSA-N 2 0 228.380 1.910 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2C[NH3+])CS1 ZINC000306767018 533967532 /nfs/dbraw/zinc/96/75/32/533967532.db2.gz CBAOOTYRTNSYNR-RCWTZXSCSA-N 2 0 214.378 1.597 20 0 BDADRP C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H]1CCC[NH2+]1 ZINC000400358528 533989847 /nfs/dbraw/zinc/98/98/47/533989847.db2.gz BFVOKIRQKHPTGC-FQUUOJAGSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@@H]1C[C@H]1C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000488293852 534022086 /nfs/dbraw/zinc/02/20/86/534022086.db2.gz GGJOGGMLQUDZOY-OLZOCXBDSA-N 2 0 240.391 1.421 20 0 BDADRP CC[C@H](C)NC(=[NH2+])NC[C@H](C)[NH+]1CCCC1 ZINC000848986601 582817873 /nfs/dbraw/zinc/81/78/73/582817873.db2.gz KUUHBHXVFSIBQX-QWRGUYRKSA-N 2 0 226.368 1.383 20 0 BDADRP C1[NH2+]C[C@H]2C[C@H]([NH2+][C@@H]3CCCSC3)CC[C@H]12 ZINC000401038963 526423822 /nfs/dbraw/zinc/42/38/22/526423822.db2.gz SNKYZAZZVBGQJF-FDYHWXHSSA-N 2 0 240.416 1.860 20 0 BDADRP COC(=O)CC1([NH2+]CC2CC[NH2+]CC2)CCC1 ZINC000346989898 536442013 /nfs/dbraw/zinc/44/20/13/536442013.db2.gz SIMITXWBCWFASP-UHFFFAOYSA-N 2 0 240.347 1.061 20 0 BDADRP C(C[NH2+]CC[C@H]1CCOC1)C[NH+]1CCCCC1 ZINC000401407252 527483615 /nfs/dbraw/zinc/48/36/15/527483615.db2.gz OSAFPABOCJGLME-AWEZNQCLSA-N 2 0 240.391 1.879 20 0 BDADRP CC(C)[C@](C)(C[NH3+])NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494572613 527940087 /nfs/dbraw/zinc/94/00/87/527940087.db2.gz BELHHKHEVODSGY-AAEUAGOBSA-N 2 0 241.379 1.008 20 0 BDADRP CC(C)C[C@@H](C[NH3+])NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000494573667 528296412 /nfs/dbraw/zinc/29/64/12/528296412.db2.gz HCMSBJRCWSJMID-NEPJUHHUSA-N 2 0 241.379 1.008 20 0 BDADRP CCCCOCCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400342159 528587413 /nfs/dbraw/zinc/58/74/13/528587413.db2.gz HRYCIDXMANLPHP-QWHCGFSZSA-N 2 0 228.380 1.923 20 0 BDADRP CCC(CC)(CO)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400432792 528707080 /nfs/dbraw/zinc/70/70/80/528707080.db2.gz KKJJSISTRJYSPX-NWDGAFQWSA-N 2 0 228.380 1.515 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494540433 528800972 /nfs/dbraw/zinc/80/09/72/528800972.db2.gz CSXBKIQRGWNJRT-RYUDHWBXSA-N 2 0 241.379 1.152 20 0 BDADRP CCOC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401078622 528979869 /nfs/dbraw/zinc/97/98/69/528979869.db2.gz PVZVRUXLIBLJGU-UMSGYPCISA-N 2 0 226.364 1.389 20 0 BDADRP CC1(C)OCC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000336897531 535000791 /nfs/dbraw/zinc/00/07/91/535000791.db2.gz PJDQGUBOSYMZLD-WCQYABFASA-N 2 0 238.375 1.628 20 0 BDADRP CC1(C)[C@@H]2C[N@@H+](C[C@@H]3CCC[NH2+]C3)C[C@@H]21 ZINC000261544563 535041548 /nfs/dbraw/zinc/04/15/48/535041548.db2.gz JAYABBOJOOEABU-UTUOFQBUSA-N 2 0 208.349 1.574 20 0 BDADRP CC(C)SCC[NH2+]C1CCC([NH3+])CC1 ZINC000261530235 535112150 /nfs/dbraw/zinc/11/21/50/535112150.db2.gz YRYFQBJOSJLQCD-UHFFFAOYSA-N 2 0 216.394 1.988 20 0 BDADRP CC(C)([NH3+])CNC(=O)CC1(C[NH3+])CCCCC1 ZINC000262690114 535200568 /nfs/dbraw/zinc/20/05/68/535200568.db2.gz WAGDJNNOEZUXQD-UHFFFAOYSA-N 2 0 241.379 1.139 20 0 BDADRP CC(C)[C@H]1CN(C)CC[N@@H+]1CC1CC[NH2+]CC1 ZINC000336054860 535233576 /nfs/dbraw/zinc/23/35/76/535233576.db2.gz OHTRFAUEZGBPMX-CQSZACIVSA-N 2 0 239.407 1.258 20 0 BDADRP CC[NH2+]CC1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000262288864 535458570 /nfs/dbraw/zinc/45/85/70/535458570.db2.gz VUEIOBIYUYTZPD-UHFFFAOYSA-N 3 0 239.407 1.308 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000224074405 535473475 /nfs/dbraw/zinc/47/34/75/535473475.db2.gz RWFSUQFGAOUNBN-TZMCWYRMSA-N 2 0 240.391 1.611 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)C[NH3+])C1(C)C ZINC000300388074 535505893 /nfs/dbraw/zinc/50/58/93/535505893.db2.gz NQRLZTZMHOHKKL-OUAUKWLOSA-N 2 0 214.353 1.374 20 0 BDADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)COC)C1 ZINC000252710372 535525500 /nfs/dbraw/zinc/52/55/00/535525500.db2.gz GLDMTLVYEQXYEV-NEPJUHHUSA-N 2 0 214.353 1.343 20 0 BDADRP CC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182590601 535649019 /nfs/dbraw/zinc/64/90/19/535649019.db2.gz BICGSBCORKNRAH-PBWFPOADSA-N 2 0 237.391 1.249 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000226586814 535858380 /nfs/dbraw/zinc/85/83/80/535858380.db2.gz WTVCMKBDEWHXOA-LOWDOPEQSA-N 2 0 228.380 1.466 20 0 BDADRP CC[C@H]([NH2+]CCOCC[NH+](C)C)C(C)C ZINC000219311912 535903381 /nfs/dbraw/zinc/90/33/81/535903381.db2.gz UKZZQCWPQXVBBM-LBPRGKRZSA-N 2 0 216.369 1.589 20 0 BDADRP CC[C@H](CCO)[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000168121832 536098348 /nfs/dbraw/zinc/09/83/48/536098348.db2.gz ASUCNIZRSZTFMQ-XQQFMLRXSA-N 2 0 228.380 1.467 20 0 BDADRP C[NH+](C)[C@H]1CCCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262000745 536138658 /nfs/dbraw/zinc/13/86/58/536138658.db2.gz LFUXUFSIMCAMKL-KBPBESRZSA-N 2 0 239.407 1.402 20 0 BDADRP CN(c1cc[nH+]c2ccccc21)C1C[NH2+]C1 ZINC000085258501 536300499 /nfs/dbraw/zinc/30/04/99/536300499.db2.gz MBEMOCLWRJOZBF-UHFFFAOYSA-N 2 0 213.284 1.643 20 0 BDADRP C[N@H+](CCC[NH3+])CCCOc1ccc(F)cc1 ZINC000130892785 536342708 /nfs/dbraw/zinc/34/27/08/536342708.db2.gz LYBPHTYXRFXJNI-UHFFFAOYSA-N 2 0 240.322 1.875 20 0 BDADRP C[NH2+][C@H]1CCCN(c2cc[nH+]c(C)c2)C1 ZINC000229518877 536415429 /nfs/dbraw/zinc/41/54/29/536415429.db2.gz JFKLQWJYEMTUFF-NSHDSACASA-N 2 0 205.305 1.578 20 0 BDADRP COCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250443235 536590492 /nfs/dbraw/zinc/59/04/92/536590492.db2.gz BNBFGNSLVOSRKB-YNEHKIRRSA-N 2 0 226.364 1.533 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1CC1(C)C ZINC000234727621 536596512 /nfs/dbraw/zinc/59/65/12/536596512.db2.gz HZTQLRHXMYWUFV-GHMZBOCLSA-N 2 0 214.353 1.376 20 0 BDADRP COc1ccccc1CC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000230285231 537039969 /nfs/dbraw/zinc/03/99/69/537039969.db2.gz VOCNHGBFYDXYED-CQSZACIVSA-N 2 0 248.370 1.969 20 0 BDADRP Cc1nccn1CC[N@H+](CC(C)(C)O)C1CC1 ZINC000426767924 566280079 /nfs/dbraw/zinc/28/00/79/566280079.db2.gz SAOSGGDERDCNOD-UHFFFAOYSA-N 2 0 237.347 1.427 20 0 BDADRP C[NH+]1CCC(C[N@H+](CC(C)(C)O)C2CC2)CC1 ZINC000893707678 583207210 /nfs/dbraw/zinc/20/72/10/583207210.db2.gz WVFGJTIBIWQVDR-UHFFFAOYSA-N 2 0 240.391 1.564 20 0 BDADRP [NH3+]CC1CC[NH+](CCC2SCCS2)CC1 ZINC000853023327 588716523 /nfs/dbraw/zinc/71/65/23/588716523.db2.gz TUJZDPXPQNIERF-UHFFFAOYSA-N 2 0 246.445 1.853 20 0 BDADRP [NH3+]C[C@@H]1CCCCN1CCC1SCCS1 ZINC000853022956 588716603 /nfs/dbraw/zinc/71/66/03/588716603.db2.gz IZSHBVNHIYVKNE-JTQLQIEISA-N 2 0 246.445 1.996 20 0 BDADRP C[C@H](CCO)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000853239288 588728132 /nfs/dbraw/zinc/72/81/32/588728132.db2.gz DKIUPTFSVDHRDD-TZMCWYRMSA-N 2 0 240.391 1.469 20 0 BDADRP CC[C@@H]1C[C@@H](C[NH2+][C@@H](C)C[NH2+]C)CCO1 ZINC000853249715 588729187 /nfs/dbraw/zinc/72/91/87/588729187.db2.gz UTDKWYFZFLUKRE-SDDRHHMPSA-N 2 0 214.353 1.389 20 0 BDADRP Cc1cc([C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)n(C)n1 ZINC000854230158 588781122 /nfs/dbraw/zinc/78/11/22/588781122.db2.gz IHCHEMXXNVLLPM-VXGBXAGGSA-N 2 0 238.379 1.753 20 0 BDADRP C[C@@](O)(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000112466180 588799112 /nfs/dbraw/zinc/79/91/12/588799112.db2.gz TXBDVMGWAHOMOO-VNHYZAJKSA-N 2 0 246.354 1.045 20 0 BDADRP CC(C)CNC(=[NH2+])NC[C@@H](C)[NH+]1CCCC1 ZINC000112800786 588817390 /nfs/dbraw/zinc/81/73/90/588817390.db2.gz FTMJLZAMOFHSKI-LLVKDONJSA-N 2 0 226.368 1.241 20 0 BDADRP COCCC[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC000757131188 582505964 /nfs/dbraw/zinc/50/59/64/582505964.db2.gz PPCMDNCEKNDWBP-GFCCVEGCSA-N 2 0 212.337 1.241 20 0 BDADRP COC(=O)CN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000609137148 582599496 /nfs/dbraw/zinc/59/94/96/582599496.db2.gz FVAOANWRPKYASN-UHFFFAOYSA-N 2 0 242.363 1.212 20 0 BDADRP Cc1cc(N)nc(NC[C@@H]2CC[N@@H+](C3CC3)C2)[nH+]1 ZINC000891781387 582720008 /nfs/dbraw/zinc/72/00/08/582720008.db2.gz IGLIXHWRTCGJPV-JTQLQIEISA-N 2 0 247.346 1.263 20 0 BDADRP CC[NH+]1CCC(CNc2nc(N)cc(C)[nH+]2)CC1 ZINC000891983326 582752165 /nfs/dbraw/zinc/75/21/65/582752165.db2.gz SRWZWTANAFROMD-UHFFFAOYSA-N 2 0 249.362 1.511 20 0 BDADRP COC1CCC(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000892251547 582813158 /nfs/dbraw/zinc/81/31/58/582813158.db2.gz IWSKPYVHCCKZMU-QPPOZKHWSA-N 2 0 238.375 1.343 20 0 BDADRP COc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c(C)c1 ZINC000892253283 582814104 /nfs/dbraw/zinc/81/41/04/582814104.db2.gz ZLRLYHHEOJVZBL-KBPBESRZSA-N 2 0 246.354 1.655 20 0 BDADRP CC[N@@H+]1CCCC[C@H]1CNC1=[NH+]CCCN1C ZINC000849006151 582822095 /nfs/dbraw/zinc/82/20/95/582822095.db2.gz YZROJQFVTOQIPD-LBPRGKRZSA-N 2 0 238.379 1.142 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CNC1=[NH+]CCCN1C ZINC000849006150 582822437 /nfs/dbraw/zinc/82/24/37/582822437.db2.gz YZROJQFVTOQIPD-GFCCVEGCSA-N 2 0 238.379 1.142 20 0 BDADRP CCCC[N@H+](C)CCNC(=[NH2+])NC1CCC1 ZINC000849005563 582822665 /nfs/dbraw/zinc/82/26/65/582822665.db2.gz JTOPIGPAKRUHFD-UHFFFAOYSA-N 2 0 226.368 1.385 20 0 BDADRP COc1ccc(CN[C@@H](C)CC[NH+](C)C)nc1 ZINC000892763397 582978858 /nfs/dbraw/zinc/97/88/58/582978858.db2.gz MULOSOOLZZHUQY-NSHDSACASA-N 2 0 237.347 1.520 20 0 BDADRP CN(CC[NH+](C)C)c1cc(N)[nH+]cc1Cl ZINC000892778426 582981253 /nfs/dbraw/zinc/98/12/53/582981253.db2.gz XIGQWIGGDVOHPC-UHFFFAOYSA-N 2 0 228.727 1.315 20 0 BDADRP C[NH+](C)[C@H]1CCC[C@@H](Nc2cc[nH+]cc2CO)C1 ZINC000892824728 582989650 /nfs/dbraw/zinc/98/96/50/582989650.db2.gz UEDWGRUMYBICBS-OLZOCXBDSA-N 2 0 249.358 1.281 20 0 BDADRP CC(=O)N[C@H]1CC[N@H+](CCCCCCC[NH3+])C1 ZINC000852755581 583017182 /nfs/dbraw/zinc/01/71/82/583017182.db2.gz UNKMNBTXASQCNZ-ZDUSSCGKSA-N 2 0 241.379 1.106 20 0 BDADRP Cn1cc(C[NH2+]CCCC[NH+](C)C)c(Cl)n1 ZINC000856767900 588876418 /nfs/dbraw/zinc/87/64/18/588876418.db2.gz HABJQMHZAIZXDT-UHFFFAOYSA-N 2 0 244.770 1.505 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@H](CO)CC2CCC2)CC1 ZINC000894166642 583323523 /nfs/dbraw/zinc/32/35/23/583323523.db2.gz JYIMBOXMVCFPMX-AWEZNQCLSA-N 2 0 240.391 1.469 20 0 BDADRP Cc1ncoc1CNCCC[N@@H+](C)C(C)C ZINC000894165113 583323661 /nfs/dbraw/zinc/32/36/61/583323661.db2.gz ICQPYHQGJMDFNO-UHFFFAOYSA-N 2 0 225.336 1.803 20 0 BDADRP Cc1cccc(CNCc2c(C)ccnc2N)n1 ZINC000894184374 583331626 /nfs/dbraw/zinc/33/16/26/583331626.db2.gz YIFMPAMQGMGHIT-UHFFFAOYSA-N 2 0 242.326 1.965 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000857253649 588901327 /nfs/dbraw/zinc/90/13/27/588901327.db2.gz QHNGZVWMSKHIPT-WCBMZHEXSA-N 2 0 208.309 1.114 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@H]1CCC12CCOCC2 ZINC000857252773 588901358 /nfs/dbraw/zinc/90/13/58/588901358.db2.gz CMQBMENVEAAQPK-QWRGUYRKSA-N 2 0 212.337 1.273 20 0 BDADRP Cc1cc(F)ncc1CN(C)CCC[NH+](C)C ZINC000894450585 583462697 /nfs/dbraw/zinc/46/26/97/583462697.db2.gz WYEJSFYISHBJJN-UHFFFAOYSA-N 2 0 239.338 1.913 20 0 BDADRP c1ncc(C[NH2+]CC2CC[NH+](C3CC3)CC2)[nH]1 ZINC000894575363 583487061 /nfs/dbraw/zinc/48/70/61/583487061.db2.gz FGDZHQGXZUOFHG-UHFFFAOYSA-N 2 0 234.347 1.374 20 0 BDADRP C[N@@H+]1CC[C@@H]2CN(c3cc[nH+]cc3CO)CC[C@@H]21 ZINC000895022068 583569426 /nfs/dbraw/zinc/56/94/26/583569426.db2.gz JYDGGGJQCVRBSZ-YPMHNXCESA-N 2 0 247.342 1.104 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCCc3cn[nH]c32)C1 ZINC000857872167 588917668 /nfs/dbraw/zinc/91/76/68/588917668.db2.gz HVACCYUHAFIQQL-UHTWSYAYSA-N 2 0 248.374 1.717 20 0 BDADRP Cc1coc(C[N@@H+](C)CC2CN(C)C2)c1 ZINC000895260631 583634201 /nfs/dbraw/zinc/63/42/01/583634201.db2.gz VFNKHBRCXUPLSQ-UHFFFAOYSA-N 2 0 208.305 1.581 20 0 BDADRP C[C@@H](CC[NH2+]CCC[C@H]1CCO1)[NH+](C)C ZINC000895292654 583638974 /nfs/dbraw/zinc/63/89/74/583638974.db2.gz SYNONSFIIWPKAW-RYUDHWBXSA-N 2 0 214.353 1.485 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@H]2C[C@@H](O)C23CCC3)CC1 ZINC000895399614 583665922 /nfs/dbraw/zinc/66/59/22/583665922.db2.gz CKPJQBUWYORTMS-QWHCGFSZSA-N 2 0 238.375 1.221 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCc3nccnc3C2)CC1 ZINC000895456469 583677323 /nfs/dbraw/zinc/67/73/23/583677323.db2.gz JZBWXACUNYXTAJ-UHFFFAOYSA-N 2 0 246.358 1.177 20 0 BDADRP C[NH+]1CCC(C[NH+]2CC3(C2)CCCO3)CC1 ZINC000895592879 583695327 /nfs/dbraw/zinc/69/53/27/583695327.db2.gz XWLBGOUYNNCHSI-UHFFFAOYSA-N 2 0 224.348 1.193 20 0 BDADRP C[C@@H]1CC[C@@H](C[N@H+](C)C2CC[NH2+]CC2)O1 ZINC000232018111 583849163 /nfs/dbraw/zinc/84/91/63/583849163.db2.gz AJZYNOCKPXLSPA-PWSUYJOCSA-N 2 0 212.337 1.238 20 0 BDADRP C[NH+](C)C1CC(N[C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000858185763 588937677 /nfs/dbraw/zinc/93/76/77/588937677.db2.gz YDABQVKHUMNRPK-PNESKVBLSA-N 2 0 239.407 1.541 20 0 BDADRP OCc1cc(NCCC[NH+]2CCCCC2)cc[nH+]1 ZINC000858326264 588945849 /nfs/dbraw/zinc/94/58/49/588945849.db2.gz LGXXUTJMSRYNLP-UHFFFAOYSA-N 2 0 249.358 1.862 20 0 BDADRP OCc1cc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc[nH+]1 ZINC000858355832 588948377 /nfs/dbraw/zinc/94/83/77/588948377.db2.gz WNGXHJPZPGOEGY-OCCSQVGLSA-N 2 0 247.342 1.613 20 0 BDADRP C[C@H]1C[C@H]1NC(=[NH2+])NCC[NH+]1CCCCCC1 ZINC000864453645 584005479 /nfs/dbraw/zinc/00/54/79/584005479.db2.gz YHUWYSPFLGHKCW-NWDGAFQWSA-N 2 0 238.379 1.385 20 0 BDADRP C[C@@H]1C[C@H]1NC(=[NH2+])NCCCC[N@H+](C)C1CC1 ZINC000864465572 584008344 /nfs/dbraw/zinc/00/83/44/584008344.db2.gz AADGIMUGXMECMU-ZYHUDNBSSA-N 2 0 238.379 1.383 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](CNC(=[NH2+])NCCC2CC2)C1 ZINC000864470507 584009841 /nfs/dbraw/zinc/00/98/41/584009841.db2.gz ZQXLEBWTUHJXDS-TXEJJXNPSA-N 2 0 238.379 1.241 20 0 BDADRP C[C@H]1CC[C@H](C[NH2+]CC2CC[NH+](C)CC2)O1 ZINC000148650623 584023650 /nfs/dbraw/zinc/02/36/50/584023650.db2.gz QIPAWVOVBVHOEG-WCQYABFASA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC[C@H](O)C2CC2)CC[N@@H+]1C ZINC000898200281 584099459 /nfs/dbraw/zinc/09/94/59/584099459.db2.gz VOFOYVRPXZQXPU-WXHSDQCUSA-N 2 0 226.364 1.220 20 0 BDADRP CO[C@H](C[N@H+](C)CC(C)(C)C[NH+](C)C)C1CC1 ZINC000898306565 584109691 /nfs/dbraw/zinc/10/96/91/584109691.db2.gz MGJAFQIZWDNOKE-CYBMUJFWSA-N 2 0 242.407 1.931 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873262549 584128650 /nfs/dbraw/zinc/12/86/50/584128650.db2.gz ACKJZWRKWHCDAC-WJTVCTBASA-N 2 0 224.348 1.284 20 0 BDADRP C[C@H](NC(=[NH2+])NCC[NH2+]C(C)(C)C)C1CC1 ZINC000899266485 584190204 /nfs/dbraw/zinc/19/02/04/584190204.db2.gz CYQDQBZNEBFTAK-VIFPVBQESA-N 2 0 226.368 1.287 20 0 BDADRP CC(C)(C)[C@H]([NH3+])Cc1nc(C2([NH3+])CCC2)no1 ZINC000900009505 584264935 /nfs/dbraw/zinc/26/49/35/584264935.db2.gz YOFBBOJODPRAMW-MRVPVSSYSA-N 2 0 238.335 1.323 20 0 BDADRP CN1CC[C@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902321355 584552765 /nfs/dbraw/zinc/55/27/65/584552765.db2.gz UVNQKOCWKJPEDI-RYUDHWBXSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@H](CCCO)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902344787 584558316 /nfs/dbraw/zinc/55/83/16/584558316.db2.gz GCLWNRZFAHGCSZ-NEPJUHHUSA-N 2 0 228.380 1.515 20 0 BDADRP C[C@H](CCCO)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902344790 584558401 /nfs/dbraw/zinc/55/84/01/584558401.db2.gz GCLWNRZFAHGCSZ-VXGBXAGGSA-N 2 0 228.380 1.515 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CC2(CCO)CC2)C1 ZINC000902377027 584568754 /nfs/dbraw/zinc/56/87/54/584568754.db2.gz PDVYUPIFVUCJFD-GFCCVEGCSA-N 2 0 240.391 1.517 20 0 BDADRP CCC(O)(CC)C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902358092 584570870 /nfs/dbraw/zinc/57/08/70/584570870.db2.gz AOOXZQRYDKHLCC-GFCCVEGCSA-N 2 0 242.407 1.905 20 0 BDADRP CC(C)[C@@H](CO)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902360698 584571645 /nfs/dbraw/zinc/57/16/45/584571645.db2.gz MKEVMUNWSQBEOX-VXGBXAGGSA-N 2 0 228.380 1.371 20 0 BDADRP C[C@H]([NH3+])CCN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902390106 584580949 /nfs/dbraw/zinc/58/09/49/584580949.db2.gz HCPVGZAJLDKXHJ-QWRGUYRKSA-N 2 0 213.369 1.092 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCC2(C[NH3+])CC2)C1 ZINC000902394594 584584616 /nfs/dbraw/zinc/58/46/16/584584616.db2.gz ZBFMRCQLLUMDIH-GFCCVEGCSA-N 3 0 239.407 1.483 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2ccc[nH]c2=O)C1 ZINC000902395502 584584785 /nfs/dbraw/zinc/58/47/85/584584785.db2.gz GHZRQHCPSQAQKW-LBPRGKRZSA-N 2 0 249.358 1.655 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000902428003 584594202 /nfs/dbraw/zinc/59/42/02/584594202.db2.gz AEAZCAISSFEXGB-VOAKCMCISA-N 2 0 228.380 1.643 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 ZINC000902432721 584595352 /nfs/dbraw/zinc/59/53/52/584595352.db2.gz WVEJIXPCZSFCJX-XRRVDJEJSA-N 2 0 226.364 1.659 20 0 BDADRP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CC1([NH3+])CC1 ZINC000902414044 584599775 /nfs/dbraw/zinc/59/97/75/584599775.db2.gz RATFZZAFCJJPPS-WDEREUQCSA-N 2 0 226.364 1.661 20 0 BDADRP CC[N@@H+]1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)[C@H](C)C1 ZINC000902472934 584601095 /nfs/dbraw/zinc/60/10/95/584601095.db2.gz LZPMZDLMKOMZNI-PEBLQZBPSA-N 2 0 237.391 1.199 20 0 BDADRP C(N[C@@H]1CC[NH2+]C12CCC2)[C@H]1CCCCC[NH2+]1 ZINC000902474849 584602594 /nfs/dbraw/zinc/60/25/94/584602594.db2.gz FZJPHIRRMSOTQI-CHWSQXEVSA-N 2 0 237.391 1.393 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cnn(CCF)c1 ZINC000902446464 584604208 /nfs/dbraw/zinc/60/42/08/584604208.db2.gz OUEAQEWTUFASNV-NXEZZACHSA-N 2 0 228.315 1.068 20 0 BDADRP CC[N@@H+]1CC[C@H](N[C@H]2C[NH2+]CC2(C)C)[C@@H](C)C1 ZINC000902447804 584604728 /nfs/dbraw/zinc/60/47/28/584604728.db2.gz VVJSTBOJIUJOHJ-AVGNSLFASA-N 2 0 239.407 1.304 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@H]1C[NH2+]CC1(C)C ZINC000902448563 584605840 /nfs/dbraw/zinc/60/58/40/584605840.db2.gz GNNAPCYBSNTHML-WXHSDQCUSA-N 2 0 237.391 1.057 20 0 BDADRP CC[C@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)[C@@H]1CCOC1 ZINC000902450133 584606330 /nfs/dbraw/zinc/60/63/30/584606330.db2.gz RBTWNPYTVJQKSX-GRYCIOLGSA-N 2 0 226.364 1.389 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000902452761 584607955 /nfs/dbraw/zinc/60/79/55/584607955.db2.gz ALXMSNYGKOPUQW-WUHRBBMRSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1NCC[N@@H+]1CCC(C)(C)C1 ZINC000902456382 584610184 /nfs/dbraw/zinc/61/01/84/584610184.db2.gz OMMUHHKQWYTZDT-OLZOCXBDSA-N 2 0 239.407 1.306 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H]21)[C@@H]1CCC[NH2+]1 ZINC000902456428 584610233 /nfs/dbraw/zinc/61/02/33/584610233.db2.gz OZEDXLKNYFJKSH-FPYNETTCSA-N 2 0 208.349 1.905 20 0 BDADRP CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@H]1C[C@H]1C ZINC000902465631 584613667 /nfs/dbraw/zinc/61/36/67/584613667.db2.gz HOCCHWYXSFGUBC-BSKUUZOQSA-N 2 0 208.349 1.904 20 0 BDADRP COCC1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC000902467657 584614670 /nfs/dbraw/zinc/61/46/70/584614670.db2.gz QTRJXTSBXRQJHF-MYXTYHMWSA-N 2 0 238.375 1.674 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000902469061 584615323 /nfs/dbraw/zinc/61/53/23/584615323.db2.gz ORHZDBKDPSJOPQ-KSSYENDESA-N 2 0 224.348 1.427 20 0 BDADRP C[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C1CCOCC1 ZINC000902471488 584616630 /nfs/dbraw/zinc/61/66/30/584616630.db2.gz PGFMULRRVWVQTA-GWNIPJSYSA-N 2 0 224.348 1.284 20 0 BDADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)C1 ZINC000902490180 584617494 /nfs/dbraw/zinc/61/74/94/584617494.db2.gz UHWNNGCKWAMJMP-RKQHYHRCSA-N 2 0 238.375 1.519 20 0 BDADRP CC1(C)C[C@@H]([NH2+]CC[C@H](O)C2CC2)C[C@@H]([NH3+])C1 ZINC000902506639 584622040 /nfs/dbraw/zinc/62/20/40/584622040.db2.gz ZCZYPDSYOGAYGE-AGIUHOORSA-N 2 0 240.391 1.643 20 0 BDADRP C[C@@H]1C[C@H](NC[C@@H]2CCCCC[NH2+]2)CC[N@@H+]1C ZINC000902481204 584623179 /nfs/dbraw/zinc/62/31/79/584623179.db2.gz BGTCMQOQECQYLX-MCIONIFRSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H](NC[C@@H]1CCCCC[NH2+]1)[C@H]1CCC[NH2+]1 ZINC000902481359 584623480 /nfs/dbraw/zinc/62/34/80/584623480.db2.gz CBPRKERMWJBNHT-FRRDWIJNSA-N 2 0 225.380 1.249 20 0 BDADRP COc1cccc(C[C@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)n1 ZINC000902483797 584624996 /nfs/dbraw/zinc/62/49/96/584624996.db2.gz CEHSCVCBCOMBCP-GVXVVHGQSA-N 2 0 249.358 1.348 20 0 BDADRP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cccc(CO)c1 ZINC000902488691 584627251 /nfs/dbraw/zinc/62/72/51/584627251.db2.gz MJJFDLUBIDBHTP-JKOKRWQUSA-N 2 0 234.343 1.567 20 0 BDADRP CCn1cc([C@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)cn1 ZINC000902489898 584627726 /nfs/dbraw/zinc/62/77/26/584627726.db2.gz PZEHKUMBNFYSBL-NHCYSSNCSA-N 2 0 222.336 1.291 20 0 BDADRP c1cc([C@H]([NH2+]C2CC[NH2+]CC2)C2CC2)ccn1 ZINC000902514793 584629487 /nfs/dbraw/zinc/62/94/87/584629487.db2.gz QDBOYHYZHJZGRU-CQSZACIVSA-N 2 0 231.343 1.874 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C/C=C/Cl ZINC000902517506 584630305 /nfs/dbraw/zinc/63/03/05/584630305.db2.gz IMJLKFUSBZSJHI-UZIPZDEMSA-N 2 0 214.740 1.844 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]C/C=C/Cl)C12CCC2 ZINC000902516019 584630326 /nfs/dbraw/zinc/63/03/26/584630326.db2.gz BSGMFXDIEMXBEP-COKDONQUSA-N 2 0 200.713 1.598 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2O)C1 ZINC000902522472 584631919 /nfs/dbraw/zinc/63/19/19/584631919.db2.gz XOZJKJCYQPGZNS-AYRXBEOTSA-N 2 0 246.354 1.504 20 0 BDADRP Cl/C=C/C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000902522827 584632012 /nfs/dbraw/zinc/63/20/12/584632012.db2.gz YMTKZGAPOPLUJC-HNTBESEFSA-N 2 0 244.766 1.486 20 0 BDADRP C[C@H](O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903098914 584726871 /nfs/dbraw/zinc/72/68/71/584726871.db2.gz VIBAQUSRMGDMQT-CRMUJIHISA-N 2 0 238.375 1.505 20 0 BDADRP OC/C=C/C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903201676 584735429 /nfs/dbraw/zinc/73/54/29/584735429.db2.gz ZLVCQGLVYUSTEI-XODHIHNUSA-N 2 0 236.359 1.282 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN2C)[C@H](C)C1 ZINC000903321604 584747096 /nfs/dbraw/zinc/74/70/96/584747096.db2.gz AXOQWOHIYNEDNS-AGIUHOORSA-N 2 0 225.380 1.010 20 0 BDADRP CC(C)[C@@](C)(CN)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903427185 584761018 /nfs/dbraw/zinc/76/10/18/584761018.db2.gz UNAWTYMNCGFLLD-GRYCIOLGSA-N 2 0 213.369 1.077 20 0 BDADRP C[C@@H](N)[C@@H]1CCCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903421708 584763651 /nfs/dbraw/zinc/76/36/51/584763651.db2.gz RXNWGNSCCPXBBY-NDBYEHHHSA-N 2 0 225.380 1.316 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)[C@H]1CCCOC1 ZINC000903458701 584764953 /nfs/dbraw/zinc/76/49/53/584764953.db2.gz HNGUIRWXIHAZOW-GRYCIOLGSA-N 2 0 212.337 1.143 20 0 BDADRP C([C@H]1CCC[NH2+]1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000903442689 584767837 /nfs/dbraw/zinc/76/78/37/584767837.db2.gz YKXHXRWZTVKKLX-KGLIPLIRSA-N 2 0 237.391 1.299 20 0 BDADRP CC[N@@H+]1CC[C@H](N(C)C[C@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000903444281 584769498 /nfs/dbraw/zinc/76/94/98/584769498.db2.gz RMRDDTQAAUVAHF-MJBXVCDLSA-N 2 0 239.407 1.401 20 0 BDADRP CCC[N@H+](C)C[C@@H]1CCN(C[C@H]2CCC[NH2+]2)C1 ZINC000903446080 584770178 /nfs/dbraw/zinc/77/01/78/584770178.db2.gz SQLGJHLPPVPXTC-UONOGXRCSA-N 2 0 239.407 1.402 20 0 BDADRP C(C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)OC1CC1 ZINC000903452041 584771913 /nfs/dbraw/zinc/77/19/13/584771913.db2.gz GWZNQKUSGYPOKF-ZDUSSCGKSA-N 2 0 238.375 1.487 20 0 BDADRP CC[N@@H+]1C[C@@H](C)N(C[C@H]2CCC[NH2+]2)C[C@H]1C ZINC000903454395 584773664 /nfs/dbraw/zinc/77/36/64/584773664.db2.gz BIMBVPSJVNRTKE-JHJVBQTASA-N 2 0 225.380 1.153 20 0 BDADRP CCOCCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903470153 584774572 /nfs/dbraw/zinc/77/45/72/584774572.db2.gz GUBFGCPWTBBVGE-NSHDSACASA-N 2 0 212.337 1.287 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000903471294 584775248 /nfs/dbraw/zinc/77/52/48/584775248.db2.gz IGGVJNAPVMNBMO-GRYCIOLGSA-N 2 0 224.348 1.286 20 0 BDADRP C(C[C@H]1CCCO1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903471765 584775644 /nfs/dbraw/zinc/77/56/44/584775644.db2.gz MAUYZZGQBYSDMR-VXGBXAGGSA-N 2 0 224.348 1.430 20 0 BDADRP [NH3+]Cc1cccc2c1N(C[C@H]1CCC[NH2+]1)CCC2 ZINC000903474016 584776849 /nfs/dbraw/zinc/77/68/49/584776849.db2.gz FHDMAMZCWKAAHT-CQSZACIVSA-N 2 0 245.370 1.650 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000903482547 584778882 /nfs/dbraw/zinc/77/88/82/584778882.db2.gz KLCYQMMWAJTSBF-POQQGIQPSA-N 2 0 239.407 1.290 20 0 BDADRP COCCCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903484897 584779610 /nfs/dbraw/zinc/77/96/10/584779610.db2.gz XYXPZNAQFAHIRP-LBPRGKRZSA-N 2 0 226.364 1.677 20 0 BDADRP C[N@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)C1CCC1 ZINC000903730070 584793160 /nfs/dbraw/zinc/79/31/60/584793160.db2.gz TXZPATWJVCBICZ-OLZOCXBDSA-N 2 0 224.348 1.239 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903732309 584793202 /nfs/dbraw/zinc/79/32/02/584793202.db2.gz FGMQOYPNYKOWLZ-ZOBORPQBSA-N 2 0 238.375 1.485 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCCCN1C[C@@H]1CCCC[NH2+]C1 ZINC000903713318 584793404 /nfs/dbraw/zinc/79/34/04/584793404.db2.gz MRVXLEXWRIBTMM-BFHYXJOUSA-N 2 0 239.407 1.578 20 0 BDADRP CC(C)c1ccccc1CNC(C[NH3+])C[NH3+] ZINC000903750098 584795130 /nfs/dbraw/zinc/79/51/30/584795130.db2.gz URBCFKLUZXICJI-UHFFFAOYSA-N 2 0 221.348 1.186 20 0 BDADRP C[C@@H]1CN(C[C@@H]2CCCC[NH2+]C2)[C@@H](C)C[NH2+]1 ZINC000903752388 584795396 /nfs/dbraw/zinc/79/53/96/584795396.db2.gz SDNNSOLDAUKXLL-FRRDWIJNSA-N 2 0 225.380 1.058 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]1NC[C@@H]1CCCC[NH2+]C1 ZINC000903752955 584796177 /nfs/dbraw/zinc/79/61/77/584796177.db2.gz QOHGOCJTIZQGFG-OLZOCXBDSA-N 2 0 239.407 1.354 20 0 BDADRP C[C@@H](O)C[N@H+](C[C@H]1CCCC[NH2+]C1)C1CC1 ZINC000903767189 584797801 /nfs/dbraw/zinc/79/78/01/584797801.db2.gz FFNNBRUJRLMCHR-NEPJUHHUSA-N 2 0 226.364 1.221 20 0 BDADRP CC12CC(C1)C[N@@H+]2C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903769316 584798112 /nfs/dbraw/zinc/79/81/12/584798112.db2.gz CKMCBUOHYYLXEJ-HHTDUIENSA-N 2 0 236.359 1.239 20 0 BDADRP C[C@@H]1CCN(C[C@H]2CCCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000903767263 584798158 /nfs/dbraw/zinc/79/81/58/584798158.db2.gz UZOHXGPIMYKMSD-RDBSUJKOSA-N 2 0 239.407 1.435 20 0 BDADRP CC[C@H](C)[C@H](C)[NH2+]C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903757288 584798618 /nfs/dbraw/zinc/79/86/18/584798618.db2.gz BQBGTCUQNJAOAN-IGQOVBAYSA-N 2 0 240.391 1.779 20 0 BDADRP FC1CC[NH+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903783429 584799992 /nfs/dbraw/zinc/79/99/92/584799992.db2.gz YRUONBREWIOLHL-CHWSQXEVSA-N 2 0 242.338 1.189 20 0 BDADRP [NH3+]C[C@@]12CC[C@H]1CCCN2CCC[NH2+]C1CC1 ZINC000903804752 584802859 /nfs/dbraw/zinc/80/28/59/584802859.db2.gz JEGCBBUHRPTNIA-OCCSQVGLSA-N 2 0 237.391 1.332 20 0 BDADRP C[C@H]1CCOCC[N@@H+]1CCCCCC[NH3+] ZINC000903831433 584805972 /nfs/dbraw/zinc/80/59/72/584805972.db2.gz JUKBZPUUXCTGNC-LBPRGKRZSA-N 2 0 214.353 1.616 20 0 BDADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCOC(F)F)C2 ZINC000903838846 584807409 /nfs/dbraw/zinc/80/74/09/584807409.db2.gz FYXAIKAZENUFBQ-YIZRAAEISA-N 2 0 220.263 1.037 20 0 BDADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C/C=C/Cl)C2 ZINC000903842994 584807638 /nfs/dbraw/zinc/80/76/38/584807638.db2.gz ZYYOEZGZXJLTMK-MOFNKJLISA-N 2 0 200.713 1.551 20 0 BDADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCOCC(F)F)C2 ZINC000903843737 584807724 /nfs/dbraw/zinc/80/77/24/584807724.db2.gz RMRKDELNBZCHFJ-GUBZILKMSA-N 2 0 234.290 1.080 20 0 BDADRP [NH3+]C[C@]12CC[C@@H]1CCN2C[C@@H](O)c1ccccc1 ZINC000903863422 584813032 /nfs/dbraw/zinc/81/30/32/584813032.db2.gz LVBOHLAJUKZXOP-RBSFLKMASA-N 2 0 246.354 1.533 20 0 BDADRP Cc1cc(CN2CC[C@H]3CC[C@]32C[NH3+])c(C)nn1 ZINC000903862631 584813447 /nfs/dbraw/zinc/81/34/47/584813447.db2.gz AXMJBNNUANQZAI-KGLIPLIRSA-N 2 0 246.358 1.407 20 0 BDADRP OC[C@H]1CC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000903888445 584813804 /nfs/dbraw/zinc/81/38/04/584813804.db2.gz CDOORBCKMIRLHM-LBPRGKRZSA-N 2 0 246.354 1.147 20 0 BDADRP COC[C@H](C[N@@H+]1CCC[C@]12CC[NH2+]C2)C(C)C ZINC000903869272 584814396 /nfs/dbraw/zinc/81/43/96/584814396.db2.gz FTKWEVVAULZXBN-UONOGXRCSA-N 2 0 240.391 1.733 20 0 BDADRP C1=CCC(C[N@@H+]2CCC[C@]23CC[NH2+]C3)C1 ZINC000903872283 584815442 /nfs/dbraw/zinc/81/54/42/584815442.db2.gz YGVKBXIITRQZCY-CYBMUJFWSA-N 2 0 206.333 1.781 20 0 BDADRP CCn1cc(CCN2CCC[C@@]23CC[NH2+]C3)cn1 ZINC000903871349 584815517 /nfs/dbraw/zinc/81/55/17/584815517.db2.gz SLWWKGWDOYEHEK-AWEZNQCLSA-N 2 0 248.374 1.273 20 0 BDADRP CC[NH+](CC)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903872905 584815576 /nfs/dbraw/zinc/81/55/76/584815576.db2.gz LADOHUXKSSVNIT-LLVKDONJSA-N 2 0 237.351 1.044 20 0 BDADRP CCC[C@H]1C[NH2+]CCN1C[C@@H]([NH3+])CC(F)F ZINC000903873338 584815857 /nfs/dbraw/zinc/81/58/57/584815857.db2.gz HFNMFEFTFLNOAZ-UWVGGRQHSA-N 2 0 235.322 1.043 20 0 BDADRP CC(C)[N@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903873205 584815858 /nfs/dbraw/zinc/81/58/58/584815858.db2.gz MQRKHTISXVZOMM-LLVKDONJSA-N 2 0 237.351 1.043 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903874247 584816151 /nfs/dbraw/zinc/81/61/51/584816151.db2.gz VYYOJEZEJOOPPW-FUDCBSFHSA-N 2 0 237.391 1.058 20 0 BDADRP CCC[N@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903879685 584817133 /nfs/dbraw/zinc/81/71/33/584817133.db2.gz HGRIAQSRSFBAPW-LLVKDONJSA-N 2 0 237.351 1.044 20 0 BDADRP CC[C@H]1C(=O)NCCC[N@H+]1CCCCCC[NH3+] ZINC000903883155 584818186 /nfs/dbraw/zinc/81/81/86/584818186.db2.gz UBSLORPFGVOADZ-LBPRGKRZSA-N 2 0 241.379 1.106 20 0 BDADRP CC1([NH3+])CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903906711 584820808 /nfs/dbraw/zinc/82/08/08/584820808.db2.gz YIIUVAPQFBLVJS-YHWZYXNKSA-N 3 0 237.391 1.330 20 0 BDADRP C[C@@H](O)C(C)(C)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903903875 584820952 /nfs/dbraw/zinc/82/09/52/584820952.db2.gz YAVFFLOCOLOJPW-WAAKLRNESA-N 2 0 226.364 1.266 20 0 BDADRP CC[C@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1O ZINC000903912209 584822356 /nfs/dbraw/zinc/82/23/56/584822356.db2.gz BNMFNYKFELLIAB-ZVLQPQRZSA-N 2 0 238.375 1.220 20 0 BDADRP c1cn(CC[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000903926034 584823486 /nfs/dbraw/zinc/82/34/86/584823486.db2.gz RQSIOKXDTJOBIH-YHWZYXNKSA-N 2 0 234.347 1.003 20 0 BDADRP CC[C@@H](C)[NH2+]C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903925893 584823558 /nfs/dbraw/zinc/82/35/58/584823558.db2.gz ISYADHQOKFTSGL-PWSUYJOCSA-N 2 0 238.379 1.234 20 0 BDADRP Cc1c(C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cnn1C ZINC000903924981 584823806 /nfs/dbraw/zinc/82/38/06/584823806.db2.gz APDUEYKTGFUTDZ-QXMXGUDHSA-N 2 0 248.374 1.349 20 0 BDADRP [NH3+][C@H](C[NH2+]CCc1cccs1)CC(F)F ZINC000903925474 584823840 /nfs/dbraw/zinc/82/38/40/584823840.db2.gz NGRYBBQBNCIYAV-QMMMGPOBSA-N 2 0 234.315 1.863 20 0 BDADRP C[C@@H]1C[C@H](C)N(C[C@@H]([NH3+])CC(F)F)C[C@H]1C[NH3+] ZINC000903930132 584824541 /nfs/dbraw/zinc/82/45/41/584824541.db2.gz STDPFMXGBSEGPI-YTWAJWBKSA-N 2 0 249.349 1.274 20 0 BDADRP Nc1cccc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000903933326 584824828 /nfs/dbraw/zinc/82/48/28/584824828.db2.gz OZGRSVVZSDUERP-LQDVMPOASA-N 2 0 245.370 1.889 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903931997 584824860 /nfs/dbraw/zinc/82/48/60/584824860.db2.gz KXAUTRANNGGSIF-RFLLOBDJSA-N 2 0 237.391 1.329 20 0 BDADRP C[NH2+]C[C@H](C)NCc1cccc2c1CC[NH2+]C2 ZINC000903932365 584825077 /nfs/dbraw/zinc/82/50/77/584825077.db2.gz BZXNYWAFYDPRJH-NSHDSACASA-N 2 0 233.359 1.030 20 0 BDADRP CCCC[C@H](C[NH3+])NC[C@@H]([NH3+])CC(F)F ZINC000903918204 584827241 /nfs/dbraw/zinc/82/72/41/584827241.db2.gz UZVCSEYFHYSDNH-DTWKUNHWSA-N 2 0 223.311 1.076 20 0 BDADRP CCOC[C@H](C)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903957904 584827484 /nfs/dbraw/zinc/82/74/84/584827484.db2.gz UJYSDNQQNWQYRS-VHSXEESVSA-N 2 0 236.306 1.246 20 0 BDADRP CC[N@@H+]1CC[C@@H](NCc2cc(N)cc[nH+]2)[C@@H](C)C1 ZINC000903950165 584830663 /nfs/dbraw/zinc/83/06/63/584830663.db2.gz JBYQWMVQHAAIFU-SMDDNHRTSA-N 2 0 248.374 1.484 20 0 BDADRP CC(C)(C)[NH2+]CCNCc1cc(N)cc[nH+]1 ZINC000903955000 584832072 /nfs/dbraw/zinc/83/20/72/584832072.db2.gz YAGPHZSUANNFOU-UHFFFAOYSA-N 2 0 222.336 1.142 20 0 BDADRP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]CC1=CCCOC1 ZINC000903956058 584832228 /nfs/dbraw/zinc/83/22/28/584832228.db2.gz GKKCDMDHKGSDID-LLVKDONJSA-N 2 0 246.301 1.168 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C[C@@H]1CCCOC1 ZINC000903974214 584832500 /nfs/dbraw/zinc/83/25/00/584832500.db2.gz LZFUIJIGYKIBIO-FRRDWIJNSA-N 2 0 226.364 1.248 20 0 BDADRP Cc1n[nH]cc1C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903975125 584832719 /nfs/dbraw/zinc/83/27/19/584832719.db2.gz XRVCQCHTKQOZTI-MWLCHTKSSA-N 2 0 222.336 1.053 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]CC[C@H]1CCOC1 ZINC000903978741 584833105 /nfs/dbraw/zinc/83/31/05/584833105.db2.gz LLZVNYUDEPKPRI-FRRDWIJNSA-N 2 0 226.364 1.248 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000903978853 584833108 /nfs/dbraw/zinc/83/31/08/584833108.db2.gz NGXHFSDPZLNEIY-LPWJVIDDSA-N 3 0 225.380 1.092 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccn(C)c1 ZINC000903978224 584833253 /nfs/dbraw/zinc/83/32/53/584833253.db2.gz AYNLSHZEPZJWCD-DGCLKSJQSA-N 2 0 221.348 1.360 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1NCc1ccc2c(c1)C[NH2+]CC2 ZINC000903965165 584834366 /nfs/dbraw/zinc/83/43/66/584834366.db2.gz YRUHDYQHDKCDPG-IAQYHMDHSA-N 2 0 245.370 1.030 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(F)c(F)c1 ZINC000903964910 584834448 /nfs/dbraw/zinc/83/44/48/584834448.db2.gz UCLPGKMXBREMOW-KOLCDFICSA-N 2 0 240.297 1.910 20 0 BDADRP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000903966744 584834500 /nfs/dbraw/zinc/83/45/00/584834500.db2.gz AWTOWWIGJDEELS-RFGFWPKPSA-N 2 0 240.391 1.635 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903986037 584835622 /nfs/dbraw/zinc/83/56/22/584835622.db2.gz DYBIYDYKGSXSHS-GHMZBOCLSA-N 2 0 213.369 1.029 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC000904299369 584860321 /nfs/dbraw/zinc/86/03/21/584860321.db2.gz BZYZQFRLOVLCAY-OAHLLOKOSA-N 3 0 247.386 1.577 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)C1 ZINC000904297376 584860330 /nfs/dbraw/zinc/86/03/30/584860330.db2.gz KQNPVRIPXDJSMK-IGQOVBAYSA-N 3 0 237.391 1.188 20 0 BDADRP C[NH2+][C@@H]1CCCN(Cc2ccc(C[NH3+])cc2)C1 ZINC000904299949 584860838 /nfs/dbraw/zinc/86/08/38/584860838.db2.gz SGSCIYFXLXJBAY-CQSZACIVSA-N 2 0 233.359 1.329 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CN1CC[C@@H](C[NH3+])C1 ZINC000904300072 584860861 /nfs/dbraw/zinc/86/08/61/584860861.db2.gz VFTDNPRTEAQJMH-RYUDHWBXSA-N 2 0 227.396 1.421 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CN1CC[C@H]([NH3+])C1 ZINC000904300181 584861082 /nfs/dbraw/zinc/86/10/82/584861082.db2.gz YEUAKWSKWUOQIP-QWRGUYRKSA-N 2 0 213.369 1.173 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](C)N1Cc1ccc(C[NH3+])cc1 ZINC000904333391 584866436 /nfs/dbraw/zinc/86/64/36/584866436.db2.gz YGRQXEWMJMMCDR-TXEJJXNPSA-N 2 0 233.359 1.328 20 0 BDADRP C[NH+](C)[C@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904341796 584867035 /nfs/dbraw/zinc/86/70/35/584867035.db2.gz WBYCLVDSBDGGLB-XQQFMLRXSA-N 3 0 225.380 1.140 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H](C)[C@@H](C)O1 ZINC000904345770 584868146 /nfs/dbraw/zinc/86/81/46/584868146.db2.gz IZMPNKNBJDHSEG-OOCWMUITSA-N 2 0 212.337 1.221 20 0 BDADRP C[C@]1(C[N@@H+]2CCOCC3(CC3)C2)CCC[NH2+]C1 ZINC000904346303 584868375 /nfs/dbraw/zinc/86/83/75/584868375.db2.gz QLYFNKKRZTWOPO-ZDUSSCGKSA-N 2 0 238.375 1.489 20 0 BDADRP C[N@H+](Cc1ccc(C[NH3+])cc1)C1CC([NH3+])C1 ZINC000904349591 584869044 /nfs/dbraw/zinc/86/90/44/584869044.db2.gz BBYJHCVBXMJUPT-UHFFFAOYSA-N 3 0 219.332 1.067 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CNCC(C)(C)[NH3+] ZINC000904350291 584869119 /nfs/dbraw/zinc/86/91/19/584869119.db2.gz KHFINBPADKPDST-JTQLQIEISA-N 2 0 215.385 1.467 20 0 BDADRP C[C@]1(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)CCC[NH2+]C1 ZINC000904350852 584869342 /nfs/dbraw/zinc/86/93/42/584869342.db2.gz QPCGHPRCNWZOQN-RDBSUJKOSA-N 2 0 237.391 1.060 20 0 BDADRP C[C@@H]1CN(C[C@H]([NH3+])CCC(C)(C)C)C[C@H]1[NH3+] ZINC000904351620 584869398 /nfs/dbraw/zinc/86/93/98/584869398.db2.gz ZRNIATFSIQLZET-IJLUTSLNSA-N 2 0 227.396 1.419 20 0 BDADRP C[C@]1(CNCC2([NH3+])CCCCC2)CCC[NH2+]C1 ZINC000904353369 584869786 /nfs/dbraw/zinc/86/97/86/584869786.db2.gz KLOJQGOVXYBNBD-ZDUSSCGKSA-N 3 0 239.407 1.627 20 0 BDADRP c1cn(C2CC2)c(CNC[C@@H]2CCC[NH2+]C2)n1 ZINC000904353449 584869906 /nfs/dbraw/zinc/86/99/06/584869906.db2.gz NCSMWMBMVRBQSW-LLVKDONJSA-N 2 0 234.347 1.307 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000904354849 584870691 /nfs/dbraw/zinc/87/06/91/584870691.db2.gz JTCDUNRFUXVCLP-AVGNSLFASA-N 3 0 241.423 1.857 20 0 BDADRP [NH3+]CC[C@@H](NCc1ccc(C[NH3+])cc1)C(F)F ZINC000904354659 584870863 /nfs/dbraw/zinc/87/08/63/584870863.db2.gz IOCHRHJVKWFKHM-LLVKDONJSA-N 2 0 243.301 1.217 20 0 BDADRP [NH3+][C@H]1C[C@@H](CNc2ccc3c(c2)C[NH2+]CCO3)C1 ZINC000904354918 584870899 /nfs/dbraw/zinc/87/08/99/584870899.db2.gz LLCZYUNXIWTWOV-KLPPZKSPSA-N 2 0 247.342 1.318 20 0 BDADRP [NH3+]Cc1ccc(NC2CC(C[NH3+])C2)cc1 ZINC000904355470 584871149 /nfs/dbraw/zinc/87/11/49/584871149.db2.gz OBDCKBCJPBYWNE-UHFFFAOYSA-N 2 0 205.305 1.295 20 0 BDADRP Nc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904356124 584871290 /nfs/dbraw/zinc/87/12/90/584871290.db2.gz UVWCLESXDAKHEQ-ZBINZKHDSA-N 2 0 245.370 1.973 20 0 BDADRP Cc1noc(C)c1C[C@H](C)[NH2+]C1CC(C[NH3+])C1 ZINC000904359512 584871690 /nfs/dbraw/zinc/87/16/90/584871690.db2.gz PQVRFAZJMNOEET-RKWZHAFESA-N 2 0 237.347 1.549 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+]Cc2cc(F)ccc2F)C1 ZINC000904362595 584872034 /nfs/dbraw/zinc/87/20/34/584872034.db2.gz OUNNPDUKZXLYOY-DKTWLAJQSA-N 2 0 226.270 1.792 20 0 BDADRP Cc1ccc(C[C@H](CO)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000904368046 584872590 /nfs/dbraw/zinc/87/25/90/584872590.db2.gz HBXHENXEUJPBKJ-QLFBSQMISA-N 2 0 248.370 1.225 20 0 BDADRP [NH3+]CCN1CCC([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000904371852 584873364 /nfs/dbraw/zinc/87/33/64/584873364.db2.gz UUJCEHQFIAXIKY-XBFCOCLRSA-N 2 0 237.391 1.188 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@H](Oc3ccccc3)C2)C1 ZINC000904373119 584873932 /nfs/dbraw/zinc/87/39/32/584873932.db2.gz BABPVPATCBLWES-GUTXKFCHSA-N 2 0 246.354 1.877 20 0 BDADRP C[C@]1(C[NH2+]CCCCCC[NH3+])CCC[NH2+]C1 ZINC000904373163 584874092 /nfs/dbraw/zinc/87/40/92/584874092.db2.gz CAFTYEJAYGZARG-CYBMUJFWSA-N 3 0 227.396 1.485 20 0 BDADRP CCC(CC)(CCO)C[NH2+]C1CC(C[NH3+])C1 ZINC000904364269 584874425 /nfs/dbraw/zinc/87/44/25/584874425.db2.gz KNCRNAFPYMXWJZ-UHFFFAOYSA-N 2 0 228.380 1.502 20 0 BDADRP CCN1CCCC[C@H]1C[NH2+]C1CC(C[NH3+])C1 ZINC000904362821 584874435 /nfs/dbraw/zinc/87/44/35/584874435.db2.gz SPVPCLYNDPUTJE-BPCQOVAHSA-N 2 0 225.380 1.188 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+]C1CC(C[NH3+])C1 ZINC000904363724 584874523 /nfs/dbraw/zinc/87/45/23/584874523.db2.gz MONGGNQTJNGAFE-QEWOUOOISA-N 2 0 214.353 1.110 20 0 BDADRP CC1(C)CN(C[C@@]2(C)CCC[NH2+]C2)C[C@H]1[NH3+] ZINC000904388346 584874741 /nfs/dbraw/zinc/87/47/41/584874741.db2.gz HMUPSBCZJKICPD-YPMHNXCESA-N 2 0 225.380 1.045 20 0 BDADRP Cn1ccc([C@H]2CCC[N@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)n1 ZINC000904388368 584874809 /nfs/dbraw/zinc/87/48/09/584874809.db2.gz IAJVEHZOMHFWSH-RWMBFGLXSA-N 2 0 248.374 1.337 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)C1 ZINC000904388577 584874875 /nfs/dbraw/zinc/87/48/75/584874875.db2.gz LANGLWSVEHXLKJ-ARLBYUKCSA-N 2 0 242.366 1.997 20 0 BDADRP CC1(C)CN(C[C@]2(C)CCC[NH2+]C2)C[C@H]1[NH3+] ZINC000904388344 584875094 /nfs/dbraw/zinc/87/50/94/584875094.db2.gz HMUPSBCZJKICPD-DGCLKSJQSA-N 2 0 225.380 1.045 20 0 BDADRP CC(C)[C@H]([NH3+])CCNC[C@@]1(C)CCC[NH2+]C1 ZINC000904378335 584876032 /nfs/dbraw/zinc/87/60/32/584876032.db2.gz ARQRPYFIMIUDRN-OLZOCXBDSA-N 2 0 227.396 1.339 20 0 BDADRP CN(Cc1ccc(C[NH3+])cc1)CC(C)(C)[NH3+] ZINC000904377780 584876196 /nfs/dbraw/zinc/87/61/96/584876196.db2.gz YSHFYENJEPIWDC-UHFFFAOYSA-N 2 0 221.348 1.314 20 0 BDADRP Nc1cccc(C[NH2+]C2CC(C[NH3+])C2)c1 ZINC000904377649 584876352 /nfs/dbraw/zinc/87/63/52/584876352.db2.gz VPRPDWYIOCHRJY-UHFFFAOYSA-N 2 0 205.305 1.096 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1NC[C@H]([NH3+])CCC(C)(C)C ZINC000904380532 584876833 /nfs/dbraw/zinc/87/68/33/584876833.db2.gz DRFYFENPYFBBTQ-QJPTWQEYSA-N 2 0 227.396 1.480 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000904384460 584877145 /nfs/dbraw/zinc/87/71/45/584877145.db2.gz KUWSOSQVGJDPFV-UPJWGTAASA-N 2 0 239.407 1.576 20 0 BDADRP CN(CCOCC[NH3+])C[C@H]([NH3+])CCC(C)(C)C ZINC000904381924 584877188 /nfs/dbraw/zinc/87/71/88/584877188.db2.gz YCKNMQJVRKWTLU-GFCCVEGCSA-N 2 0 245.411 1.047 20 0 BDADRP C[C@@H]1CC[C@H](NC[C@@H]([NH3+])CCC(C)(C)C)C[NH2+]1 ZINC000904381698 584877461 /nfs/dbraw/zinc/87/74/61/584877461.db2.gz RUJXPRKNMAEISV-AGIUHOORSA-N 2 0 241.423 1.870 20 0 BDADRP C[C@@H]([NH2+]Cc1nccn1C1CC1)C1CC[NH2+]CC1 ZINC000904383994 584877502 /nfs/dbraw/zinc/87/75/02/584877502.db2.gz GEQQKFGRKUPOKU-LLVKDONJSA-N 2 0 248.374 1.696 20 0 BDADRP [NH3+]CCN1CCC([NH2+][C@H]2CCCC23CC3)CC1 ZINC000904384003 584877543 /nfs/dbraw/zinc/87/75/43/584877543.db2.gz GLPDMEXPCZMQRZ-ZDUSSCGKSA-N 2 0 237.391 1.332 20 0 BDADRP C[C@H]1CC[C@@H]([NH2+]C2CCN(CC[NH3+])CC2)C1 ZINC000904386429 584877778 /nfs/dbraw/zinc/87/77/78/584877778.db2.gz ZUWPQQAWSMGLDH-WCQYABFASA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H](CC[NH3+])C2)CC[NH2+]1 ZINC000904407108 584878822 /nfs/dbraw/zinc/87/88/22/584878822.db2.gz NITMXAUTXWEEQC-UPJWGTAASA-N 3 0 225.380 1.045 20 0 BDADRP C[C@H]1C[N@H+](Cc2cnc(N)s2)CC[C@H]1C[NH3+] ZINC000904410287 584879032 /nfs/dbraw/zinc/87/90/32/584879032.db2.gz OACHMORCFNDFGG-IUCAKERBSA-N 2 0 240.376 1.142 20 0 BDADRP C[C@@H]1C[N@H+](C[C@]2(C)CCC[NH2+]C2)CC[C@H]1C[NH3+] ZINC000904410602 584879332 /nfs/dbraw/zinc/87/93/32/584879332.db2.gz PPAIRWRQTKHFHN-HZSPNIEDSA-N 3 0 239.407 1.293 20 0 BDADRP C[C@@]1(C[N@@H+]2CC[C@@H](CC[NH3+])C2)CCC[NH2+]C1 ZINC000904407285 584879365 /nfs/dbraw/zinc/87/93/65/584879365.db2.gz SKUZCIDWLMVHEF-CHWSQXEVSA-N 3 0 225.380 1.047 20 0 BDADRP CCn1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cn1 ZINC000904411087 584879692 /nfs/dbraw/zinc/87/96/92/584879692.db2.gz JYDYSCQYVGDWFK-AAEUAGOBSA-N 2 0 236.363 1.320 20 0 BDADRP Cc1ncsc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000904412405 584879896 /nfs/dbraw/zinc/87/98/96/584879896.db2.gz VHSVDSQSNCJDTO-ONGXEEELSA-N 2 0 239.388 1.868 20 0 BDADRP CCCC[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000732667600 584939792 /nfs/dbraw/zinc/93/97/92/584939792.db2.gz SZQLGCGSYZYFGD-UHFFFAOYSA-N 2 0 228.380 1.829 20 0 BDADRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](O)C2CC2)C1 ZINC000838859182 585075527 /nfs/dbraw/zinc/07/55/27/585075527.db2.gz DGCOSJJRXHWWJZ-OCCSQVGLSA-N 2 0 240.391 1.421 20 0 BDADRP FCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000746501061 585169064 /nfs/dbraw/zinc/16/90/64/585169064.db2.gz IKBNCEFXCLEAQS-UHFFFAOYSA-N 2 0 230.327 1.000 20 0 BDADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccoc1 ZINC000754048635 585276255 /nfs/dbraw/zinc/27/62/55/585276255.db2.gz SSHFAAPXWWFGEN-CYBMUJFWSA-N 2 0 240.347 1.726 20 0 BDADRP C[C@@H]1CN(CC[C@@H]2CCCC[N@@H+]2C)CC[NH+]1C ZINC000761079506 585406852 /nfs/dbraw/zinc/40/68/52/585406852.db2.gz ZXMDERBLMWPIFG-KGLIPLIRSA-N 2 0 239.407 1.497 20 0 BDADRP Cc1cc(CNC[C@@]2(O)CC[N@@H+](C)C2)c(C)o1 ZINC000762557058 585434017 /nfs/dbraw/zinc/43/40/17/585434017.db2.gz SQBOYFBPCSUAQW-ZDUSSCGKSA-N 2 0 238.331 1.053 20 0 BDADRP C[N@@H+]1CC[C@@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC000765140720 585481746 /nfs/dbraw/zinc/48/17/46/585481746.db2.gz ALTSHCTUUOMQKN-CQSZACIVSA-N 2 0 237.391 1.155 20 0 BDADRP Cc1cc(N(C)CCCn2ccnc2)nc(N)[nH+]1 ZINC000767813925 585526316 /nfs/dbraw/zinc/52/63/16/585526316.db2.gz KFUYNGZLHTUHKH-UHFFFAOYSA-N 2 0 246.318 1.090 20 0 BDADRP CC(C)(C)OC1CC([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000775937100 585688072 /nfs/dbraw/zinc/68/80/72/585688072.db2.gz BKDFMIMMGRXPSI-MPEURRAXSA-N 2 0 238.375 1.484 20 0 BDADRP CC[NH+]1CCC(CC[NH2+][C@H](C)CCO)CC1 ZINC000779348508 585752318 /nfs/dbraw/zinc/75/23/18/585752318.db2.gz RGMCLJIMCPLKSR-GFCCVEGCSA-N 2 0 228.380 1.469 20 0 BDADRP c1ccc2c(c1)CC[C@@H]2C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000780284993 585776693 /nfs/dbraw/zinc/77/66/93/585776693.db2.gz HBAFOMPKTKAWJC-RBSFLKMASA-N 2 0 242.366 1.868 20 0 BDADRP CO[C@H](C)C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000782475946 585818784 /nfs/dbraw/zinc/81/87/84/585818784.db2.gz PKKVSNRANBFUEY-LLVKDONJSA-N 2 0 214.353 1.295 20 0 BDADRP C[C@H](C[NH2+][C@H]1CC[C@H]1C)CN1CC[NH+](C)CC1 ZINC000783234875 585831654 /nfs/dbraw/zinc/83/16/54/585831654.db2.gz AATXCLXBZQGWFJ-MCIONIFRSA-N 2 0 239.407 1.258 20 0 BDADRP C[C@H]1CC[C@@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000783240803 585831854 /nfs/dbraw/zinc/83/18/54/585831854.db2.gz RQVMGUWTCGXSOD-KBPBESRZSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)CCO1 ZINC000788471857 585925384 /nfs/dbraw/zinc/92/53/84/585925384.db2.gz VLWUZWSNFZYCMG-LLVKDONJSA-N 2 0 212.337 1.049 20 0 BDADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cc[nH]c(=O)c1 ZINC000788694062 585929126 /nfs/dbraw/zinc/92/91/26/585929126.db2.gz UQGPNPKQGPRXBG-LLVKDONJSA-N 2 0 247.342 1.700 20 0 BDADRP CC[C@H](C(=O)OCCC[NH+](C)C)[NH+](CC)CC ZINC000791937545 585992092 /nfs/dbraw/zinc/99/20/92/585992092.db2.gz GUKVKLAGYFZSPO-GFCCVEGCSA-N 2 0 244.379 1.602 20 0 BDADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCCCO)C2)C1 ZINC000815145518 586670268 /nfs/dbraw/zinc/67/02/68/586670268.db2.gz XIQVWSLYIBYTNS-CYBMUJFWSA-N 2 0 226.364 1.177 20 0 BDADRP Cc1ccccc1[C@H](O)C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000817889108 586832344 /nfs/dbraw/zinc/83/23/44/586832344.db2.gz MLXHMKARKHYKMS-YRGRVCCFSA-N 2 0 236.359 1.744 20 0 BDADRP C[C@H]([NH2+]C[C@H]1COc2ccccc2C1)C1C[NH2+]C1 ZINC000817891663 586832643 /nfs/dbraw/zinc/83/26/43/586832643.db2.gz NATXNODSAKICPJ-RYUDHWBXSA-N 2 0 246.354 1.435 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCOc1cccnc1 ZINC000817891826 586833026 /nfs/dbraw/zinc/83/30/26/586833026.db2.gz HPVDKHYASUEZOD-GHMZBOCLSA-N 2 0 223.320 1.176 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@@H]1COc2ccccc2C1 ZINC000817891888 586833229 /nfs/dbraw/zinc/83/32/29/586833229.db2.gz PFDXWGLHCQMDNS-MRVWCRGKSA-N 2 0 246.354 1.707 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCOc1cccnc1 ZINC000817891807 586833407 /nfs/dbraw/zinc/83/34/07/586833407.db2.gz HJCZYSBYANPYFS-KGLIPLIRSA-N 2 0 249.358 1.710 20 0 BDADRP CCc1cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])[nH]n1 ZINC000817893352 586833721 /nfs/dbraw/zinc/83/37/21/586833721.db2.gz SFMASUKGUYIHDA-IUCAKERBSA-N 2 0 210.325 1.188 20 0 BDADRP CSCC[C@H](C)[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000817894115 586834375 /nfs/dbraw/zinc/83/43/75/586834375.db2.gz BRHJXSWVENREKN-KXUCPTDWSA-N 2 0 204.383 1.843 20 0 BDADRP C[C@H](C[C@@H](O)c1ccccc1)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000817905242 586837051 /nfs/dbraw/zinc/83/70/51/586837051.db2.gz KYVZDLJUIMBASC-LALPHHSUSA-N 2 0 248.370 1.696 20 0 BDADRP C[C@@H]1CCC[N@@H+]1CCN[C@H]1C[NH2+]CC[C@H]1C ZINC000817912273 586837908 /nfs/dbraw/zinc/83/79/08/586837908.db2.gz FTLFXAUBJNLQTB-UPJWGTAASA-N 2 0 225.380 1.058 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)c1ccco1 ZINC000817912331 586838243 /nfs/dbraw/zinc/83/82/43/586838243.db2.gz ABKRUQWMRKIQBX-TUAOUCFPSA-N 2 0 238.331 1.420 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCCCCCO ZINC000817919814 586840320 /nfs/dbraw/zinc/84/03/20/586840320.db2.gz YWAWXJUAWHRGMG-QWHCGFSZSA-N 2 0 228.380 1.789 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCCCCCO ZINC000817919815 586840398 /nfs/dbraw/zinc/84/03/98/586840398.db2.gz YWAWXJUAWHRGMG-STQMWFEESA-N 2 0 228.380 1.789 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCCCCCO ZINC000817918039 586840464 /nfs/dbraw/zinc/84/04/64/586840464.db2.gz GMYFBUQSYUZSLR-CHWSQXEVSA-N 2 0 228.380 1.517 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(F)n1 ZINC000817918935 586840490 /nfs/dbraw/zinc/84/04/90/586840490.db2.gz ZSGYROMHFTYVTF-KOLCDFICSA-N 2 0 223.295 1.438 20 0 BDADRP Cn1nccc1CC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000817922589 586840633 /nfs/dbraw/zinc/84/06/33/586840633.db2.gz HONCEZPOKZNKPN-QWHCGFSZSA-N 2 0 236.363 1.212 20 0 BDADRP [NH3+]CCc1ccc(CN[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000817947609 586847143 /nfs/dbraw/zinc/84/71/43/586847143.db2.gz CBDDFVNZRLWXOC-KBPBESRZSA-N 2 0 233.359 1.157 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(CC[NH3+])cc2)[C@@H](C)O1 ZINC000817950771 586847966 /nfs/dbraw/zinc/84/79/66/586847966.db2.gz ZVWDFAGYNHVPEZ-JMSVASOKSA-N 2 0 248.370 1.843 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CC[NH3+])cc2)[C@@H](C)O1 ZINC000817950772 586848022 /nfs/dbraw/zinc/84/80/22/586848022.db2.gz ZVWDFAGYNHVPEZ-LALPHHSUSA-N 2 0 248.370 1.843 20 0 BDADRP Cc1cc([C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)n(C)n1 ZINC000817985332 586862611 /nfs/dbraw/zinc/86/26/11/586862611.db2.gz JBANJQLXBLAEEW-GFCCVEGCSA-N 2 0 248.374 1.689 20 0 BDADRP C[C@@H]([NH2+]C[C@@H](O)C1CC1)C(C)(C)C[NH+](C)C ZINC000819101546 586930669 /nfs/dbraw/zinc/93/06/69/586930669.db2.gz AOZISKVYDCKXEX-ZYHUDNBSSA-N 2 0 228.380 1.323 20 0 BDADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)C2CC2)C1 ZINC000819151911 586933716 /nfs/dbraw/zinc/93/37/16/586933716.db2.gz HSICJGYVBPFAKW-JSGCOSHPSA-N 2 0 240.391 1.325 20 0 BDADRP C[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000820803413 587072905 /nfs/dbraw/zinc/07/29/05/587072905.db2.gz SSRQAYXQLQGSOR-KVAMGIGCSA-N 2 0 224.348 1.115 20 0 BDADRP CO[C@H]1CC[C@H]([NH+]2CCC(C[NH+](C)C)CC2)C1 ZINC000821355146 587111377 /nfs/dbraw/zinc/11/13/77/587111377.db2.gz PHQRRHXOJJUPQO-KBPBESRZSA-N 2 0 240.391 1.828 20 0 BDADRP CO[C@@H]1CC[C@@H]([N@H+](C)CCCn2ccnc2)C1 ZINC000821396744 587116361 /nfs/dbraw/zinc/11/63/61/587116361.db2.gz UVKHZHIPGREVRE-CHWSQXEVSA-N 2 0 237.347 1.773 20 0 BDADRP CC(C)[C@@H]1C[N@H+](C)CCN1CC[NH+]1CCCC1 ZINC000823184284 587206880 /nfs/dbraw/zinc/20/68/80/587206880.db2.gz CSQGPBYNYWNEIT-AWEZNQCLSA-N 2 0 239.407 1.354 20 0 BDADRP COCC1CCC([NH2+][C@H]2CCN(C)C2)CC1 ZINC000823812017 587241072 /nfs/dbraw/zinc/24/10/72/587241072.db2.gz CVVKDGRJGMUPDD-BPCQOVAHSA-N 2 0 226.364 1.485 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000831971246 587640783 /nfs/dbraw/zinc/64/07/83/587640783.db2.gz UHTVMTQBSFPQAG-AAEUAGOBSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@@H](Cc1cnccn1)[NH2+]CCN1CCC[C@H]1C ZINC000834607178 587760608 /nfs/dbraw/zinc/76/06/08/587760608.db2.gz SCWJAAQEFDEKPF-QWHCGFSZSA-N 2 0 248.374 1.482 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)CCCCC[NH3+] ZINC000834857437 587768842 /nfs/dbraw/zinc/76/88/42/587768842.db2.gz HUHVLZSJAZMMDR-NSHDSACASA-N 2 0 241.379 1.010 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000841042649 587934705 /nfs/dbraw/zinc/93/47/05/587934705.db2.gz OMNAUTFPNWHXCB-OUAUKWLOSA-N 2 0 246.445 1.565 20 0 BDADRP COC(=O)CC(C)(C)[NH2+]C[C@H]([NH3+])CC(C)C ZINC000841010776 587934996 /nfs/dbraw/zinc/93/49/96/587934996.db2.gz URBLCNVYXMVPRD-SNVBAGLBSA-N 2 0 230.352 1.291 20 0 BDADRP CCOC[C@H](C)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841032168 587937263 /nfs/dbraw/zinc/93/72/63/587937263.db2.gz NTOYAXSTKFLLCE-LBPRGKRZSA-N 2 0 236.359 1.702 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]Cc1cncc2ccccc21 ZINC000841049671 587939661 /nfs/dbraw/zinc/93/96/61/587939661.db2.gz VDWBOUZRWXRNSU-LLVKDONJSA-N 2 0 229.327 1.919 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@H]2CC[NH2+]C2(C)C)CCO1 ZINC000841086624 587945614 /nfs/dbraw/zinc/94/56/14/587945614.db2.gz OSUSFAQJSDLLHZ-UTUOFQBUSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@@]1(CNC(=O)CCCCC[NH3+])CCC[NH2+]C1 ZINC000841849780 587977783 /nfs/dbraw/zinc/97/77/83/587977783.db2.gz LDMNSBWWTXQRQO-CYBMUJFWSA-N 2 0 241.379 1.011 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C[C@@H]([NH3+])C2CC2)cc1 ZINC000841849170 587978027 /nfs/dbraw/zinc/97/80/27/587978027.db2.gz ZBRHGKCUOXFQAY-NOZJJQNGSA-N 2 0 247.342 1.772 20 0 BDADRP C[C@@H]1C[N@H+](CCCCCCC[NH3+])C[C@H]1[NH3+] ZINC000842475007 588028856 /nfs/dbraw/zinc/02/88/56/588028856.db2.gz HUPADCGFKOWCOJ-VXGBXAGGSA-N 3 0 213.369 1.175 20 0 BDADRP CC[C@@](C)(CC(=O)OC)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000842478926 588030098 /nfs/dbraw/zinc/03/00/98/588030098.db2.gz RFYMOZBDFOCAON-YPMHNXCESA-N 2 0 242.363 1.307 20 0 BDADRP [NH3+]CCCCCc1nc(C2([NH3+])CCCC2)no1 ZINC000842590228 588044673 /nfs/dbraw/zinc/04/46/73/588044673.db2.gz NPZBPXLXCLLENT-UHFFFAOYSA-N 2 0 238.335 1.469 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc3c(c2)COC3)C1 ZINC000843057890 588077873 /nfs/dbraw/zinc/07/78/73/588077873.db2.gz NLRHBZVDAGCVGU-DGCLKSJQSA-N 2 0 246.354 1.886 20 0 BDADRP C[N@H+](CC1CC[NH2+]CC1)C1CCC([NH3+])CC1 ZINC000843055535 588077992 /nfs/dbraw/zinc/07/79/92/588077992.db2.gz GJVFYGSAMHYBMB-UHFFFAOYSA-N 3 0 225.380 1.188 20 0 BDADRP C[N@H+](Cc1ccc(N)nc1)C1CCC([NH3+])CC1 ZINC000843055960 588078057 /nfs/dbraw/zinc/07/80/57/588078057.db2.gz SWHQDFLKWPHWHN-UHFFFAOYSA-N 2 0 234.347 1.366 20 0 BDADRP C[C@@H]1C[C@@H](NC[C@]2(C)CCC[NH2+]C2)CC[NH2+]1 ZINC000843126179 588082229 /nfs/dbraw/zinc/08/22/29/588082229.db2.gz NVKPLBNDMRXQGQ-FRRDWIJNSA-N 2 0 225.380 1.106 20 0 BDADRP C[C@]1(C[NH2+]C[C@H](O)c2ccsc2)CC[NH2+]C1 ZINC000843125497 588083528 /nfs/dbraw/zinc/08/35/28/588083528.db2.gz AQJVUQJDDZAIJF-RYUDHWBXSA-N 2 0 240.372 1.371 20 0 BDADRP Nc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cn1 ZINC000843119881 588083567 /nfs/dbraw/zinc/08/35/67/588083567.db2.gz JWWGJDPHFDWWBO-UHFFFAOYSA-N 2 0 246.358 1.239 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](Nc2ccc(OCC[NH3+])cc2)C1 ZINC000843125851 588084539 /nfs/dbraw/zinc/08/45/39/588084539.db2.gz JKQZMBMMSMDISA-WCQYABFASA-N 2 0 249.358 1.434 20 0 BDADRP NC(=O)c1ccc(C[NH2+]CCCCCC[NH3+])cc1 ZINC000843127680 588084951 /nfs/dbraw/zinc/08/49/51/588084951.db2.gz FXLUCWDEBGGGQL-UHFFFAOYSA-N 2 0 249.358 1.394 20 0 BDADRP CCOC[C@@H](C)[NH2+]CCCCCC[NH3+] ZINC000843127336 588084998 /nfs/dbraw/zinc/08/49/98/588084998.db2.gz OBOGHBFQEFOLKA-LLVKDONJSA-N 2 0 202.342 1.520 20 0 BDADRP C[C@H]1CNC[C@H]([NH2+]CCCCCC[NH3+])C1 ZINC000843129631 588085421 /nfs/dbraw/zinc/08/54/21/588085421.db2.gz QTZOXYBDHFIIGX-VXGBXAGGSA-N 2 0 213.369 1.093 20 0 BDADRP [NH3+]CCCCCC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000843343658 588100731 /nfs/dbraw/zinc/10/07/31/588100731.db2.gz BUVJLDHPQDCFQB-STQMWFEESA-N 3 0 227.396 1.755 20 0 BDADRP C[C@@H]([NH2+]CCCCCC[NH3+])[C@H]1CCCOC1 ZINC000843341271 588100914 /nfs/dbraw/zinc/10/09/14/588100914.db2.gz HZDUXERAFTWSFW-OLZOCXBDSA-N 2 0 228.380 1.910 20 0 BDADRP C[NH2+]CC1CC[NH+](CCCCCCC[NH3+])CC1 ZINC000843349234 588101892 /nfs/dbraw/zinc/10/18/92/588101892.db2.gz NOPCPEJFEPLNJP-UHFFFAOYSA-N 3 0 241.423 1.827 20 0 BDADRP [NH3+]CCCCCCCN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000843352115 588102789 /nfs/dbraw/zinc/10/27/89/588102789.db2.gz FVHYNHSPPWJLFF-KGLIPLIRSA-N 2 0 239.407 1.722 20 0 BDADRP C[C@H]1C[N@H+](CCOCC[NH3+])Cc2ccccc21 ZINC000843356270 588103106 /nfs/dbraw/zinc/10/31/06/588103106.db2.gz LCDGUMMABDSZEW-LBPRGKRZSA-N 2 0 234.343 1.581 20 0 BDADRP C[C@@H]1NCC[N@H+](CCCCCCC[NH3+])[C@H]1C ZINC000843377347 588105462 /nfs/dbraw/zinc/10/54/62/588105462.db2.gz OSXIPHSCSFIINF-STQMWFEESA-N 2 0 227.396 1.578 20 0 BDADRP C[N@H+](CCCCCC[NH3+])C1CCC([NH3+])CC1 ZINC000846218049 588260836 /nfs/dbraw/zinc/26/08/36/588260836.db2.gz RQOUQFUJNREEPH-UHFFFAOYSA-N 3 0 227.396 1.707 20 0 BDADRP CC[C@H]1C[N@H+](CCCCCC[NH3+])CC[C@@H]1[NH3+] ZINC000846220809 588261038 /nfs/dbraw/zinc/26/10/38/588261038.db2.gz VFBBNUKNPVROSP-STQMWFEESA-N 2 0 227.396 1.565 20 0 BDADRP C[C@]1(F)C[NH2+]CCN(CCCCCC[NH3+])C1 ZINC000846221280 588261123 /nfs/dbraw/zinc/26/11/23/588261123.db2.gz WEADUICWYWTRQK-LBPRGKRZSA-N 3 0 231.359 1.139 20 0 BDADRP C[C@@]1(C[NH3+])CC[N@H+](CCCCCC[NH3+])C1 ZINC000846221245 588261337 /nfs/dbraw/zinc/26/13/37/588261337.db2.gz VCKVHBBSFBFHMU-LBPRGKRZSA-N 2 0 213.369 1.176 20 0 BDADRP CC1([NH3+])CC[NH+](CCCCCC[NH3+])CC1 ZINC000846220258 588261474 /nfs/dbraw/zinc/26/14/74/588261474.db2.gz MLTXGZDIBJRPID-UHFFFAOYSA-N 3 0 213.369 1.319 20 0 BDADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCCCCC[NH3+] ZINC000846708851 588283854 /nfs/dbraw/zinc/28/38/54/588283854.db2.gz WJTOGKXSMYJXMM-NWDGAFQWSA-N 3 0 213.369 1.317 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ncc[nH]1 ZINC000848558778 588397051 /nfs/dbraw/zinc/39/70/51/588397051.db2.gz SDDHSWXTSWXCIJ-GARJFASQSA-N 2 0 222.336 1.401 20 0 BDADRP C[C@@H](O)C[N@H+](CCCCCCC[NH3+])C1CC1 ZINC000848599696 588401538 /nfs/dbraw/zinc/40/15/38/588401538.db2.gz DHOGMLSAQQWHOK-GFCCVEGCSA-N 2 0 228.380 1.741 20 0 BDADRP [NH3+]CCCCCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000848714634 588408026 /nfs/dbraw/zinc/40/80/26/588408026.db2.gz RVKDIJYUOFSDPP-VXGBXAGGSA-N 3 0 213.369 1.365 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H](O)c2ccco2)C1 ZINC000848719992 588408243 /nfs/dbraw/zinc/40/82/43/588408243.db2.gz QJIQOFGLEJXJLG-VWYCJHECSA-N 2 0 224.304 1.173 20 0 BDADRP Cc1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)o1 ZINC000848719565 588408538 /nfs/dbraw/zinc/40/85/38/588408538.db2.gz JUDUSSFQUKHJLZ-QJPTWQEYSA-N 2 0 238.331 1.481 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@H]2CCC=CO2)C1 ZINC000848923112 588420528 /nfs/dbraw/zinc/42/05/28/588420528.db2.gz GIHNEVHJKWMRNE-FRRDWIJNSA-N 2 0 224.348 1.609 20 0 BDADRP CCNC(=[NH2+])NC[C@H](CC(C)C)[NH+]1CCCC1 ZINC000848984164 588425000 /nfs/dbraw/zinc/42/50/00/588425000.db2.gz VCFAADJTTDIRGX-LBPRGKRZSA-N 2 0 240.395 1.631 20 0 BDADRP C[C@H](CNC(=[NH2+])N1CCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000848986956 588425732 /nfs/dbraw/zinc/42/57/32/588425732.db2.gz BREVXVCFWDEHMO-NWDGAFQWSA-N 2 0 238.379 1.337 20 0 BDADRP CNC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000848986509 588425774 /nfs/dbraw/zinc/42/57/74/588425774.db2.gz ZSLPMEPOOHJAQL-GFCCVEGCSA-N 2 0 240.395 1.487 20 0 BDADRP C[C@H](CNC(=[NH2+])N1CCC1)[N@@H+]1CCCC[C@H]1C ZINC000848987083 588426033 /nfs/dbraw/zinc/42/60/33/588426033.db2.gz HTCXHDVIFJDGLJ-VXGBXAGGSA-N 2 0 238.379 1.479 20 0 BDADRP CN(C)C(=[NH2+])NCC[N@H+](C)C1CCCCC1 ZINC000848987938 588426255 /nfs/dbraw/zinc/42/62/55/588426255.db2.gz QSXOQZBMRPNQPT-UHFFFAOYSA-N 2 0 226.368 1.337 20 0 BDADRP C[C@@H](CNC(=[NH2+])N1CCC1)[N@@H+]1CCCC[C@@H]1C ZINC000848987082 588426350 /nfs/dbraw/zinc/42/63/50/588426350.db2.gz HTCXHDVIFJDGLJ-RYUDHWBXSA-N 2 0 238.379 1.479 20 0 BDADRP C[C@H]1CCC[N@H+](CCNC(=[NH2+])NC2CCC2)C1 ZINC000848987717 588426427 /nfs/dbraw/zinc/42/64/27/588426427.db2.gz UTCMJAORGNEKBL-NSHDSACASA-N 2 0 238.379 1.385 20 0 BDADRP CC(C)(C)[NH2+]CCCNC(=[NH2+])Nc1ccccn1 ZINC000848994000 588428410 /nfs/dbraw/zinc/42/84/10/588428410.db2.gz FAUZQJHDKNZGMW-UHFFFAOYSA-N 2 0 249.362 1.796 20 0 BDADRP CCC[NH+](CCC)CCCNC(=[NH2+])NC1CC1 ZINC000848996272 588429184 /nfs/dbraw/zinc/42/91/84/588429184.db2.gz PTMMPZSULVOYNE-UHFFFAOYSA-N 2 0 240.395 1.775 20 0 BDADRP C[NH+]1CCC(CCNC(=[NH2+])NC2CCC2)CC1 ZINC000848998523 588430128 /nfs/dbraw/zinc/43/01/28/588430128.db2.gz QPLDAQYQDBQCHD-UHFFFAOYSA-N 2 0 238.379 1.385 20 0 BDADRP CC[N@H+](CCNC(=[NH2+])N(C)C1CC1)C(C)C ZINC000849000938 588430842 /nfs/dbraw/zinc/43/08/42/588430842.db2.gz GMZWUHNTYIEVFB-UHFFFAOYSA-N 2 0 226.368 1.335 20 0 BDADRP CC[C@@H](C)NC(=[NH2+])NCC[N@H+](C)[C@@H](C)CC ZINC000849000980 588430902 /nfs/dbraw/zinc/43/09/02/588430902.db2.gz KRAUVPAJIOJJRL-MNOVXSKESA-N 2 0 228.384 1.629 20 0 BDADRP C[C@H]1CC[N@H+](CCNC(=[NH2+])Nc2ccccc2)C1 ZINC000849004376 588431482 /nfs/dbraw/zinc/43/14/82/588431482.db2.gz OCRAOSSOARILLG-LBPRGKRZSA-N 2 0 246.358 1.965 20 0 BDADRP CCCCNC(=[NH2+])NCC[N@@H+]1CC[C@H](C)C1 ZINC000849004256 588431503 /nfs/dbraw/zinc/43/15/03/588431503.db2.gz JPTUGZBPANBPCC-NSHDSACASA-N 2 0 226.368 1.242 20 0 BDADRP [NH2+]=C(NCCc1ccccc1)NCCN1CCC1 ZINC000849014655 588436142 /nfs/dbraw/zinc/43/61/42/588436142.db2.gz KCVIRBNMXOHVQQ-UHFFFAOYSA-N 2 0 246.358 1.049 20 0 BDADRP CN(C(=[NH2+])NCC1(C)CC[NH+](C)CC1)C1CC1 ZINC000849016565 588436967 /nfs/dbraw/zinc/43/69/67/588436967.db2.gz RVGFWBDMZGRHAD-UHFFFAOYSA-N 2 0 238.379 1.337 20 0 BDADRP CN(C)C(=[NH2+])NCC[N@@H+]1CCCC(C)(C)C1 ZINC000849023055 588439305 /nfs/dbraw/zinc/43/93/05/588439305.db2.gz ITEHBQJPIMMJRA-UHFFFAOYSA-N 2 0 226.368 1.194 20 0 BDADRP CCNC(=[NH2+])NCC(C)(C)C[NH+]1CCCC1 ZINC000849021696 588439438 /nfs/dbraw/zinc/43/94/38/588439438.db2.gz ANEQEWPUXBGCNT-UHFFFAOYSA-N 2 0 226.368 1.242 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[C@H](C)F ZINC000849033602 588444021 /nfs/dbraw/zinc/44/40/21/588444021.db2.gz RHCFKFGDTJMLKO-WDEREUQCSA-N 2 0 244.358 1.333 20 0 BDADRP CCN(CC)C(=[NH2+])NCC[N@@H+]1CCCC1(C)C ZINC000849039366 588446786 /nfs/dbraw/zinc/44/67/86/588446786.db2.gz UMYMFCCBFABDJI-UHFFFAOYSA-N 2 0 240.395 1.727 20 0 BDADRP CN(C(=[NH2+])NCCCC[N@H+](C)C1CC1)C1CC1 ZINC000849039613 588447097 /nfs/dbraw/zinc/44/70/97/588447097.db2.gz JWAWOXZAQBURLY-UHFFFAOYSA-N 2 0 238.379 1.479 20 0 BDADRP CC[C@H](C)NC(=[NH2+])NCc1ccc2c[nH+]cn2c1 ZINC000849040052 588447345 /nfs/dbraw/zinc/44/73/45/588447345.db2.gz HPBKESJFVWOVPM-JTQLQIEISA-N 2 0 245.330 1.747 20 0 BDADRP CNC(=[NH2+])NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000849045613 588449650 /nfs/dbraw/zinc/44/96/50/588449650.db2.gz DDVNAINLDYBIBJ-OLZOCXBDSA-N 2 0 246.358 1.076 20 0 BDADRP CC(C)CCNC(=[NH2+])NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000849049740 588451512 /nfs/dbraw/zinc/45/15/12/588451512.db2.gz QSGXSTUNPHTVBZ-TXEJJXNPSA-N 2 0 240.395 1.487 20 0 BDADRP CC[C@@H](CNC1=[NH+]CCCCN1)[NH+]1CCCC1 ZINC000849215550 588462373 /nfs/dbraw/zinc/46/23/73/588462373.db2.gz PYSVXUJJMMMKJZ-LBPRGKRZSA-N 2 0 238.379 1.190 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000850514617 588555814 /nfs/dbraw/zinc/55/58/14/588555814.db2.gz OAUHOBORBKAQTO-RGHGFSEVSA-N 2 0 238.375 1.769 20 0 BDADRP C1=CCC(C[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000852751382 588700367 /nfs/dbraw/zinc/70/03/67/588700367.db2.gz ZUHFPJOGXSUKFP-CYBMUJFWSA-N 2 0 206.333 1.781 20 0 BDADRP Cc1ccc2c(c1)CC[C@H]2[NH2+]CCOCCC[NH3+] ZINC000863548042 589298554 /nfs/dbraw/zinc/29/85/54/589298554.db2.gz UHAWWHCWYBYECD-OAHLLOKOSA-N 2 0 248.370 1.937 20 0 BDADRP COc1cccc(OCCN(C)C[C@H](C)[NH3+])c1 ZINC000863568684 589300195 /nfs/dbraw/zinc/30/01/95/589300195.db2.gz NHXHZSSLSHGKMP-NSHDSACASA-N 2 0 238.331 1.353 20 0 BDADRP Cn1ccc(C[N@H+](C)C2CCC([NH3+])CC2)c1 ZINC000863642141 589305963 /nfs/dbraw/zinc/30/59/63/589305963.db2.gz SFKFAPCFDCIWLD-UHFFFAOYSA-N 2 0 221.348 1.727 20 0 BDADRP C[N@H+](CC1=CCCOC1)C1CCC([NH3+])CC1 ZINC000863642361 589306853 /nfs/dbraw/zinc/30/68/53/589306853.db2.gz YWZDBUFQUHHULX-UHFFFAOYSA-N 2 0 224.348 1.535 20 0 BDADRP CC[C@@H]1CCN(C(=[NH2+])NCC[NH+]2CCCC2)C1 ZINC000864450204 589364362 /nfs/dbraw/zinc/36/43/62/589364362.db2.gz HUTKIDAKBVNNQP-GFCCVEGCSA-N 2 0 238.379 1.338 20 0 BDADRP C[C@@H]1C[C@@H]1NC(=[NH2+])NCC[N@@H+]1CCCC[C@H]1C ZINC000864451714 589365135 /nfs/dbraw/zinc/36/51/35/589365135.db2.gz DVJDWQLAWKBXGC-UTUOFQBUSA-N 2 0 238.379 1.383 20 0 BDADRP C[C@@H]1C[C@H]1NC(=[NH2+])NCC1([NH+](C)C)CCCC1 ZINC000864451757 589365181 /nfs/dbraw/zinc/36/51/81/589365181.db2.gz JENUMUBUNKKOEO-GHMZBOCLSA-N 2 0 238.379 1.383 20 0 BDADRP CCC(CC)NC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000864453367 589365489 /nfs/dbraw/zinc/36/54/89/589365489.db2.gz YYJHVJHDUGLCTE-GFCCVEGCSA-N 2 0 240.395 1.773 20 0 BDADRP CCC(CC)NC(=[NH2+])NCCC[NH+](C)C ZINC000864453074 589365785 /nfs/dbraw/zinc/36/57/85/589365785.db2.gz WRGLRIDATKHKRO-UHFFFAOYSA-N 2 0 214.357 1.241 20 0 BDADRP CC[N@H+](CCNC(=[NH2+])N[C@H]1C[C@@H]1C)C(C)C ZINC000864456776 589367479 /nfs/dbraw/zinc/36/74/79/589367479.db2.gz MHIVGPIGVKZECD-QWRGUYRKSA-N 2 0 226.368 1.239 20 0 BDADRP C[C@H]1C[C@@H]1NC(=[NH2+])NCC[N@H+](C)C1CCCC1 ZINC000864457580 589367867 /nfs/dbraw/zinc/36/78/67/589367867.db2.gz FJVCDPYYTPJMNF-JQWIXIFHSA-N 2 0 238.379 1.383 20 0 BDADRP CC[C@H]1CCN(C(=[NH2+])NC[C@@H](C)C[NH+](C)C)C1 ZINC000864465828 589370724 /nfs/dbraw/zinc/37/07/24/589370724.db2.gz BYUIFMLIYSVMHC-NEPJUHHUSA-N 2 0 240.395 1.440 20 0 BDADRP CC(C)C[N@H+](C)CCCNC(=[NH2+])N[C@H]1C[C@@H]1C ZINC000864468838 589372673 /nfs/dbraw/zinc/37/26/73/589372673.db2.gz JHHORLZXMIAELS-RYUDHWBXSA-N 2 0 240.395 1.487 20 0 BDADRP CCC[C@H](C)C[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000865659760 589454877 /nfs/dbraw/zinc/45/48/77/589454877.db2.gz RTTCVFHIXCSFCO-STQMWFEESA-N 2 0 242.407 1.857 20 0 BDADRP CCC[C@@H](C)C[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000865659759 589454982 /nfs/dbraw/zinc/45/49/82/589454982.db2.gz RTTCVFHIXCSFCO-OLZOCXBDSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@H]1CCC[C@@H]1[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000865658910 589455072 /nfs/dbraw/zinc/45/50/72/589455072.db2.gz DKMJFHVSMWVVMQ-AVGNSLFASA-N 2 0 240.391 1.610 20 0 BDADRP Cc1c[nH+]ccc1N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866208550 589480500 /nfs/dbraw/zinc/48/05/00/589480500.db2.gz NQYLPEIVXVZUOX-JSGCOSHPSA-N 2 0 231.343 1.920 20 0 BDADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)CCO)CC1 ZINC000866468018 589494952 /nfs/dbraw/zinc/49/49/52/589494952.db2.gz XNDUFCDQVRYPQI-ZDUSSCGKSA-N 2 0 242.407 1.857 20 0 BDADRP CC[C@H](C)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000866588897 589501798 /nfs/dbraw/zinc/50/17/98/589501798.db2.gz AXCWKTWULWVYFL-ZDUSSCGKSA-N 2 0 239.407 1.497 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000866660759 589508390 /nfs/dbraw/zinc/50/83/90/589508390.db2.gz KWFKEOHWLIOYBW-STQMWFEESA-N 2 0 238.375 1.487 20 0 BDADRP CC1(C)C[C@@H](O)C[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000866702611 589513765 /nfs/dbraw/zinc/51/37/65/589513765.db2.gz DAFFQPRMVUBZLR-QWHCGFSZSA-N 2 0 240.391 1.469 20 0 BDADRP CC[NH+](CC)CCCN1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866725298 589516495 /nfs/dbraw/zinc/51/64/95/589516495.db2.gz RVNGSKXVIAKZMQ-UONOGXRCSA-N 2 0 239.407 1.545 20 0 BDADRP CC(C)[C@H]([NH3+])C(=O)Nc1cc(F)cc(C[NH3+])c1 ZINC000868069289 589547843 /nfs/dbraw/zinc/54/78/43/589547843.db2.gz JVZMEZCXGZLDEM-NSHDSACASA-N 2 0 239.294 1.206 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870938455 589699314 /nfs/dbraw/zinc/69/93/14/589699314.db2.gz PJVIRQZRPVWTBU-GRYCIOLGSA-N 2 0 241.379 1.138 20 0 BDADRP C1C[NH2+][C@H](c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)C1 ZINC000871792143 589820186 /nfs/dbraw/zinc/82/01/86/589820186.db2.gz PJNXYGSSZRMFOO-GYIHNLGQSA-N 2 0 248.330 1.492 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000872141799 589882609 /nfs/dbraw/zinc/88/26/09/589882609.db2.gz TYXHQJXPBWBLBX-RYUDHWBXSA-N 2 0 224.348 1.226 20 0 BDADRP C[N@H+](CCCCCC[NH3+])C[C@H]1CC[NH2+]C1 ZINC000872154919 589885901 /nfs/dbraw/zinc/88/59/01/589885901.db2.gz FHWDTQPUGZHXNL-LBPRGKRZSA-N 3 0 213.369 1.047 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CCSC2)C1 ZINC000872253170 589900436 /nfs/dbraw/zinc/90/04/36/589900436.db2.gz ZYBDWBSSKOBGQE-WDEREUQCSA-N 2 0 228.405 1.860 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H]2CCOC2)C1 ZINC000872252576 589900631 /nfs/dbraw/zinc/90/06/31/589900631.db2.gz ULYAYLQYVCPQIU-MNOVXSKESA-N 2 0 212.337 1.143 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H]2CCOC2)C1 ZINC000872252574 589900786 /nfs/dbraw/zinc/90/07/86/589900786.db2.gz ULYAYLQYVCPQIU-GHMZBOCLSA-N 2 0 212.337 1.143 20 0 BDADRP COC[C@@H](C)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000872254219 589901261 /nfs/dbraw/zinc/90/12/61/589901261.db2.gz WTYTWINQIIUHQR-GHMZBOCLSA-N 2 0 214.353 1.389 20 0 BDADRP C[C@@H](CC[NH+](C)C)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000872254228 589901372 /nfs/dbraw/zinc/90/13/72/589901372.db2.gz WXRYPDFWUCRLOA-QWHCGFSZSA-N 2 0 241.423 1.694 20 0 BDADRP COC[C@@H](C)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000872254220 589901517 /nfs/dbraw/zinc/90/15/17/589901517.db2.gz WTYTWINQIIUHQR-MNOVXSKESA-N 2 0 214.353 1.389 20 0 BDADRP C[NH+](C)C[C@@](C)(O)CNc1cc[nH+]cc1C1CC1 ZINC000872490671 589944535 /nfs/dbraw/zinc/94/45/35/589944535.db2.gz DLWMCMDEJGTUHF-AWEZNQCLSA-N 2 0 249.358 1.105 20 0 BDADRP CN1CCOC[C@H]1CNc1cc[nH+]cc1C1CC1 ZINC000872618528 589956441 /nfs/dbraw/zinc/95/64/41/589956441.db2.gz ZOUNPEHBYDAUJO-GFCCVEGCSA-N 2 0 247.342 1.123 20 0 BDADRP C[C@@H]1CCCN(Cc2cnc(N)cn2)[C@@H]1CC[NH3+] ZINC000873213566 589996889 /nfs/dbraw/zinc/99/68/89/589996889.db2.gz HTDIMQYGWIQZHT-ZYHUDNBSSA-N 2 0 249.362 1.008 20 0 BDADRP [NH3+][C@@H]1C[C@H]1c1ccc(N[C@@H]2CC[NH2+]C2)cc1 ZINC000873214784 589997046 /nfs/dbraw/zinc/99/70/46/589997046.db2.gz IUHWADFVMFELLB-FRRDWIJNSA-N 2 0 217.316 1.275 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000873215853 589997931 /nfs/dbraw/zinc/99/79/31/589997931.db2.gz FVSISNOIJJLSAX-YDQFZURESA-N 2 0 236.359 1.269 20 0 BDADRP C[C@@]1(CNc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC[NH2+]C1 ZINC000873216855 589997987 /nfs/dbraw/zinc/99/79/87/589997987.db2.gz ZCZSALGZYZQAJP-RRFJBIMHSA-N 2 0 245.370 1.913 20 0 BDADRP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873220714 589998598 /nfs/dbraw/zinc/99/85/98/589998598.db2.gz SFUUPFBQBZVTCV-OBJOEFQTSA-N 3 0 239.407 1.495 20 0 BDADRP CC(C)[NH2+]Cc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000873219341 589998999 /nfs/dbraw/zinc/99/89/99/589998999.db2.gz YCKBKQSPSVTQMZ-UHFFFAOYSA-N 2 0 245.330 1.224 20 0 BDADRP C[N@@H+]1CC[C@@H]2CN(C[C@@]3(C)CC[NH2+]C3)CC[C@@H]21 ZINC000873221833 589999316 /nfs/dbraw/zinc/99/93/16/589999316.db2.gz RKOCQKONDVINDX-RDBSUJKOSA-N 3 0 237.391 1.012 20 0 BDADRP C[N@@H+]1CC[C@H]2CN(Cc3ccc(N)nc3)CC[C@H]21 ZINC000873222046 589999389 /nfs/dbraw/zinc/99/93/89/589999389.db2.gz XZYPOYGYTXUWGE-QWHCGFSZSA-N 2 0 246.358 1.190 20 0 BDADRP C[N@@H+]1CC[C@@H]2CN(C[C@@]3(C)CC[NH2+]C3)CC[C@H]21 ZINC000873221831 589999821 /nfs/dbraw/zinc/99/98/21/589999821.db2.gz RKOCQKONDVINDX-MCIONIFRSA-N 3 0 237.391 1.012 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)CCS1 ZINC000873225136 590000448 /nfs/dbraw/zinc/00/04/48/590000448.db2.gz OIQXNOOHCWVUKV-QJPTWQEYSA-N 2 0 228.405 1.812 20 0 BDADRP C[N@H+](CCCCCC[NH3+])CC1(F)CC1 ZINC000873231271 590002744 /nfs/dbraw/zinc/00/27/44/590002744.db2.gz CASHHYCICMUVAR-UHFFFAOYSA-N 2 0 202.317 1.939 20 0 BDADRP c1cc(C[NH2+][C@@H]2CCCCC23CC[NH2+]CC3)n[nH]1 ZINC000873232925 590003212 /nfs/dbraw/zinc/00/32/12/590003212.db2.gz RRELMGFMYQSVDB-CYBMUJFWSA-N 2 0 248.374 1.812 20 0 BDADRP CC(C)(C)[NH2+]CCN[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000873231138 590003648 /nfs/dbraw/zinc/00/36/48/590003648.db2.gz IWMRENDLIJKXSL-AAEUAGOBSA-N 2 0 225.380 1.249 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CCSC1 ZINC000873236153 590004615 /nfs/dbraw/zinc/00/46/15/590004615.db2.gz VEWNURQAPQNPHY-HBNTYKKESA-N 2 0 214.378 1.599 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000873236874 590004650 /nfs/dbraw/zinc/00/46/50/590004650.db2.gz JWZHAMUNRQWUFV-QJPTWQEYSA-N 2 0 227.396 1.480 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CCSC1 ZINC000873236154 590004905 /nfs/dbraw/zinc/00/49/05/590004905.db2.gz VEWNURQAPQNPHY-MXWKQRLJSA-N 2 0 214.378 1.599 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccnc(F)c1 ZINC000873243545 590006639 /nfs/dbraw/zinc/00/66/39/590006639.db2.gz YCWQLDFOWSFPQB-JQWIXIFHSA-N 2 0 237.322 1.698 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)[C@H]2CCC[C@@H]21 ZINC000873248481 590006767 /nfs/dbraw/zinc/00/67/67/590006767.db2.gz BJMZCZRMJCKUKG-BJJPWKGXSA-N 3 0 237.391 1.186 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC[C@@H]1CCCS1 ZINC000873244630 590006973 /nfs/dbraw/zinc/00/69/73/590006973.db2.gz TZTFPWDRNCXYJU-AXFHLTTASA-N 2 0 216.394 1.988 20 0 BDADRP CO[C@H]1CCC[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000873249117 590007148 /nfs/dbraw/zinc/00/71/48/590007148.db2.gz IUJHXAGNMZQQHD-USZNOCQGSA-N 2 0 212.337 1.271 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCCc3n[nH]cc32)C1 ZINC000873249095 590007174 /nfs/dbraw/zinc/00/71/74/590007174.db2.gz IIROGXNOHVCPRI-WCABBAIRSA-N 2 0 220.320 1.114 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccncc1 ZINC000873248647 590007386 /nfs/dbraw/zinc/00/73/86/590007386.db2.gz CVPVLHZOBHXRSE-UHTWSYAYSA-N 2 0 219.332 1.860 20 0 BDADRP CCC1(CC)[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1OC ZINC000873251661 590008116 /nfs/dbraw/zinc/00/81/16/590008116.db2.gz MRCBYFZQDWPUPB-XQHKEYJVSA-N 2 0 240.391 1.907 20 0 BDADRP CCn1cc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cn1 ZINC000873254244 590009590 /nfs/dbraw/zinc/00/95/90/590009590.db2.gz OHPDARFZQFBDPD-JBLDHEPKSA-N 2 0 222.336 1.291 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+]C2CCSCC2)C1 ZINC000873254363 590009738 /nfs/dbraw/zinc/00/97/38/590009738.db2.gz RMVAANPNACXITD-DTORHVGOSA-N 2 0 200.351 1.209 20 0 BDADRP Cc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)o1 ZINC000873254991 590009992 /nfs/dbraw/zinc/00/99/92/590009992.db2.gz CLCJCWJQWAMKMI-MXWKQRLJSA-N 2 0 208.305 1.976 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)[C@@H]2CCC[C@H]21 ZINC000873254920 590010406 /nfs/dbraw/zinc/01/04/06/590010406.db2.gz BJMZCZRMJCKUKG-HTVCTNPSSA-N 3 0 237.391 1.186 20 0 BDADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CCCc3n[nH]cc32)C1 ZINC000873255809 590010754 /nfs/dbraw/zinc/01/07/54/590010754.db2.gz IIROGXNOHVCPRI-FXPVBKGRSA-N 2 0 220.320 1.114 20 0 BDADRP Cc1nc([C@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)cs1 ZINC000873255346 590010995 /nfs/dbraw/zinc/01/09/95/590010995.db2.gz GMVHUSKZPQVOFO-HGNGGELXSA-N 2 0 225.361 1.839 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000873257865 590012350 /nfs/dbraw/zinc/01/23/50/590012350.db2.gz LFXWVKOGTSMFBP-HAQNSBGRSA-N 3 0 225.380 1.188 20 0 BDADRP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)CCO1 ZINC000873258870 590012704 /nfs/dbraw/zinc/01/27/04/590012704.db2.gz WOPQPZVQIGZETH-CYDGBPFRSA-N 2 0 226.364 1.517 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cncs1 ZINC000873258233 590013058 /nfs/dbraw/zinc/01/30/58/590013058.db2.gz YNWUECRYUIBIHH-CIUDSAMLSA-N 2 0 211.334 1.531 20 0 BDADRP CC(C)n1cc([C@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)cn1 ZINC000873258222 590013168 /nfs/dbraw/zinc/01/31/68/590013168.db2.gz YGRYHUZDECVWET-GVXVVHGQSA-N 2 0 236.363 1.852 20 0 BDADRP C[C@@H]([NH2+][C@H]1C[C@@H](C)n2ccnc21)C1CC[NH2+]CC1 ZINC000873269186 590015270 /nfs/dbraw/zinc/01/52/70/590015270.db2.gz DLFSHRFYDPTBNJ-WZRBSPASSA-N 2 0 248.374 1.867 20 0 BDADRP COCCC[C@@H](C)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873268194 590015666 /nfs/dbraw/zinc/01/56/66/590015666.db2.gz UDHIAZOIUPQYKP-VXGBXAGGSA-N 2 0 228.380 1.779 20 0 BDADRP C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1cnccn1 ZINC000873270065 590015961 /nfs/dbraw/zinc/01/59/61/590015961.db2.gz OPVNVBKZJVXNQT-QWRGUYRKSA-N 2 0 234.347 1.515 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])C1CC[NH2+]CC1 ZINC000873271425 590016284 /nfs/dbraw/zinc/01/62/84/590016284.db2.gz IBKPKSOZOPUROZ-FPMFFAJLSA-N 3 0 239.407 1.482 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCC[C@@H]1C[NH3+])C1CC[NH2+]CC1 ZINC000873270426 590016322 /nfs/dbraw/zinc/01/63/22/590016322.db2.gz UCGHNTSLTYOEEI-RAIGVLPGSA-N 3 0 225.380 1.092 20 0 BDADRP C[C@H](Cc1cnccn1)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873271123 590016424 /nfs/dbraw/zinc/01/64/24/590016424.db2.gz DWLIBDSPRCWXPC-NEPJUHHUSA-N 2 0 248.374 1.385 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccnn1C ZINC000873274870 590016620 /nfs/dbraw/zinc/01/66/20/590016620.db2.gz GUVCUSMRIMJYHT-WDEREUQCSA-N 2 0 224.352 1.588 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[NH2+]CC[C@H]1C)C1CC[NH2+]CC1 ZINC000873272982 590017124 /nfs/dbraw/zinc/01/71/24/590017124.db2.gz XWPAWUDGTVLWQB-MBNYWOFBSA-N 3 0 239.407 1.352 20 0 BDADRP CC1(C)CO[C@H](C[NH2+][C@@H]2CCC[C@H]2[NH3+])C1 ZINC000873281564 590018051 /nfs/dbraw/zinc/01/80/51/590018051.db2.gz LIQHIWJNLOFYQC-HBNTYKKESA-N 2 0 212.337 1.271 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCC[C@H]1CCOC1=O ZINC000873282249 590018574 /nfs/dbraw/zinc/01/85/74/590018574.db2.gz GODWUNFDTXEVNL-AXFHLTTASA-N 2 0 228.336 1.045 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc2oc(=O)[nH]c2c1 ZINC000873285087 590020442 /nfs/dbraw/zinc/02/04/42/590020442.db2.gz XXTKQWDHJQJTJU-DTWKUNHWSA-N 2 0 249.314 1.749 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000873290188 590023062 /nfs/dbraw/zinc/02/30/62/590023062.db2.gz OSBASHMXPZMWIQ-DGCLKSJQSA-N 2 0 238.375 1.533 20 0 BDADRP CCN1CC[NH+](CCCCCCC[NH3+])CC1 ZINC000020073874 590070869 /nfs/dbraw/zinc/07/08/69/590070869.db2.gz JWRHUGPTVPVAIK-UHFFFAOYSA-N 2 0 227.396 1.533 20 0 BDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H](C)[NH3+])C[C@@H]1C ZINC000876771390 590239462 /nfs/dbraw/zinc/23/94/62/590239462.db2.gz RAKLQKVZCPBHIB-GRYCIOLGSA-N 2 0 241.379 1.055 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CCCCCC[NH3+] ZINC000877020837 590270006 /nfs/dbraw/zinc/27/00/06/590270006.db2.gz FPSFBUXTCRCCGT-NWDGAFQWSA-N 2 0 241.379 1.152 20 0 BDADRP CCCCCC[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH3+] ZINC000877103496 590283726 /nfs/dbraw/zinc/28/37/26/590283726.db2.gz VSZJNNLVUBBCJR-GFCCVEGCSA-N 2 0 243.395 1.304 20 0 BDADRP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C[NH2+]C2CC2)cc1 ZINC000877137272 590290935 /nfs/dbraw/zinc/29/09/35/590290935.db2.gz RQKJUACFQWBWPY-QWHCGFSZSA-N 2 0 245.326 1.192 20 0 BDADRP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000877134638 590291179 /nfs/dbraw/zinc/29/11/79/590291179.db2.gz WGIVBOQGWOKFIH-YNEHKIRRSA-N 2 0 245.326 1.192 20 0 BDADRP [NH3+]CCCCCC(=O)NC1(C[NH3+])CCCCC1 ZINC000877205726 590301018 /nfs/dbraw/zinc/30/10/18/590301018.db2.gz RMABLQOVAGVEFC-UHFFFAOYSA-N 2 0 241.379 1.283 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCC=CO3)CC[C@H]21 ZINC000877743775 590410702 /nfs/dbraw/zinc/41/07/02/590410702.db2.gz YGSSTQGRIFIXCK-HZSPNIEDSA-N 2 0 236.359 1.705 20 0 BDADRP CC(C)[C@@H](O)CC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000878125199 590501682 /nfs/dbraw/zinc/50/16/82/590501682.db2.gz NVLUDHBEVPCPRL-KBPBESRZSA-N 2 0 242.407 1.667 20 0 BDADRP CC(C)[C@H](O)CC[N@H+](C)CCC[NH+]1CCCC1 ZINC000878549158 590590562 /nfs/dbraw/zinc/59/05/62/590590562.db2.gz BPPKKFJMOXKMRW-CQSZACIVSA-N 2 0 242.407 1.811 20 0 BDADRP C=C/C=C\CC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000878865979 590634731 /nfs/dbraw/zinc/63/47/31/590634731.db2.gz OSXLYAWUFTWRAE-GXMNPTEKSA-N 2 0 238.375 1.507 20 0 BDADRP CSC[C@@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000127401631 590652203 /nfs/dbraw/zinc/65/22/03/590652203.db2.gz HOCQMHOVHNFIBJ-XNWIYYODSA-N 2 0 202.367 1.597 20 0 BDADRP C[NH+]1CC[C@@H]2CN(C[C@H]3CCC[N@H+]3C)CC[C@@H]21 ZINC000879579053 590816495 /nfs/dbraw/zinc/81/64/95/590816495.db2.gz IXLFVTXVQWMIEF-MCIONIFRSA-N 2 0 237.391 1.107 20 0 BDADRP CCC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879578617 590816713 /nfs/dbraw/zinc/81/67/13/590816713.db2.gz FZHFTUVJLJFSLP-AVGNSLFASA-N 2 0 226.364 1.173 20 0 BDADRP CCC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879578618 590819113 /nfs/dbraw/zinc/81/91/13/590819113.db2.gz FZHFTUVJLJFSLP-FRRDWIJNSA-N 2 0 226.364 1.173 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)O1 ZINC000879583347 590821877 /nfs/dbraw/zinc/82/18/77/590821877.db2.gz XYNDMYZIHHTTEO-RQJABVFESA-N 2 0 238.375 1.580 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)C(C)(C)C)CC[C@@H]21 ZINC000879580831 590822263 /nfs/dbraw/zinc/82/22/63/590822263.db2.gz UZKDDXJPSOZTAR-AGIUHOORSA-N 2 0 240.391 1.419 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCCSC1 ZINC000128243523 590950166 /nfs/dbraw/zinc/95/01/66/590950166.db2.gz NNSQKVOGAOUVLN-GFCCVEGCSA-N 2 0 246.420 1.440 20 0 BDADRP C[C@@H](O)CCC[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880474252 591052964 /nfs/dbraw/zinc/05/29/64/591052964.db2.gz WJONKWKIJSKWPD-CYBMUJFWSA-N 2 0 240.391 1.708 20 0 BDADRP CCN1CC[C@@H]1C[NH2+][C@H](C)CCCCO ZINC000883354695 591624954 /nfs/dbraw/zinc/62/49/54/591624954.db2.gz AQFCQBCSJBVUHC-VXGBXAGGSA-N 2 0 214.353 1.221 20 0 BDADRP CCN1CC[C@H]1C[NH2+][C@H](C)CCn1cccn1 ZINC000883354887 591625538 /nfs/dbraw/zinc/62/55/38/591625538.db2.gz DMXPEXPUFPRABG-OLZOCXBDSA-N 2 0 236.363 1.346 20 0 BDADRP CCN1CC[C@H]1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000883356626 591627270 /nfs/dbraw/zinc/62/72/70/591627270.db2.gz RMFAEZICWSHSMY-OLZOCXBDSA-N 2 0 239.407 1.543 20 0 BDADRP CC[N@@H+]1C[C@@H](C)N(C[C@@H]2C[C@H](F)C[NH2+]2)C[C@@H]1C ZINC000883430730 591661956 /nfs/dbraw/zinc/66/19/56/591661956.db2.gz AZWYRQXLRGTNNR-RNJOBUHISA-N 2 0 243.370 1.101 20 0 BDADRP C[NH+]1CCC(N[C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000131968504 591680545 /nfs/dbraw/zinc/68/05/45/591680545.db2.gz UDGBERGNGPWEHC-CABCVRRESA-N 2 0 245.370 1.815 20 0 BDADRP C[NH+]1CCC(N[C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000131967876 591680574 /nfs/dbraw/zinc/68/05/74/591680574.db2.gz UDGBERGNGPWEHC-LSDHHAIUSA-N 2 0 245.370 1.815 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132219462 591693873 /nfs/dbraw/zinc/69/38/73/591693873.db2.gz FWEUKUPVMIDZJJ-NZPIUUIZSA-N 2 0 232.327 1.898 20 0 BDADRP C[C@@H]1SCC[N@H+](CC[C@@H]2CC[NH2+]C2)[C@H]1C ZINC000132466438 591710617 /nfs/dbraw/zinc/71/06/17/591710617.db2.gz PKUOKWUKAAIKER-SRVKXCTJSA-N 2 0 228.405 1.812 20 0 BDADRP CC[C@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CCS1 ZINC000133057680 591761872 /nfs/dbraw/zinc/76/18/72/591761872.db2.gz QMGOANQNZWKVHO-RYUDHWBXSA-N 2 0 228.405 1.813 20 0 BDADRP C[NH2+][C@@H](CC(C)C)C(=O)NC1CCC([NH3+])CC1 ZINC000884018716 591801629 /nfs/dbraw/zinc/80/16/29/591801629.db2.gz CCPMYUOIAXXGGG-MCIGGMRASA-N 2 0 241.379 1.007 20 0 BDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)c1cccc(C[NH3+])c1 ZINC000884358635 591912508 /nfs/dbraw/zinc/91/25/08/591912508.db2.gz USLIKIQOBWPGIU-RYUDHWBXSA-N 2 0 247.342 1.001 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](C/C=C\Cl)CC1 ZINC000215389355 591946814 /nfs/dbraw/zinc/94/68/14/591946814.db2.gz BLFRYMJAYWTYSO-JHYPKJRRSA-N 2 0 202.729 1.798 20 0 BDADRP C[N@H+](CCCCCCC[NH3+])[C@@H]1CCOC1 ZINC000134716072 591947935 /nfs/dbraw/zinc/94/79/35/591947935.db2.gz JJEPBAVOJXZHOJ-GFCCVEGCSA-N 2 0 214.353 1.616 20 0 BDADRP Cc1n[nH]c(C[NH2+]CCCCn2ccnc2)c1C ZINC000885935657 592110469 /nfs/dbraw/zinc/11/04/69/592110469.db2.gz PDISFDAAFIWDTM-UHFFFAOYSA-N 2 0 247.346 1.793 20 0 BDADRP c1cn2c(cccc2C[NH2+][C@]23C[C@H]2COC3)n1 ZINC000886200645 592174985 /nfs/dbraw/zinc/17/49/85/592174985.db2.gz VMJBTOMJHBXREQ-GWCFXTLKSA-N 2 0 229.283 1.213 20 0 BDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@H]1C[C@@]12CCOC2 ZINC000886829753 592350243 /nfs/dbraw/zinc/35/02/43/592350243.db2.gz GPDFOAYGMYOVIF-MGPQQGTHSA-N 2 0 240.391 1.718 20 0 BDADRP C[N@H+](C[C@@H]1C[C@]12CCOC2)CC(C)(C)C[NH3+] ZINC000886830907 592353023 /nfs/dbraw/zinc/35/30/23/592353023.db2.gz ZPZQLSBVGLWRSO-AAEUAGOBSA-N 2 0 226.364 1.330 20 0 BDADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@H]1C[C@]12CCOC2 ZINC000886838552 592358086 /nfs/dbraw/zinc/35/80/86/592358086.db2.gz ZSYIKGDUPWBJKH-RDBSUJKOSA-N 2 0 238.375 1.616 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CCCn2nncc2C1 ZINC000886858040 592370073 /nfs/dbraw/zinc/37/00/73/592370073.db2.gz KBCRMUDTNWXRHL-UHFFFAOYSA-N 2 0 237.351 1.003 20 0 BDADRP [NH3+]CCCN(CC[NH3+])Cc1cccc(Cl)c1 ZINC000886863848 592374027 /nfs/dbraw/zinc/37/40/27/592374027.db2.gz WINIDNFLBIVCBI-UHFFFAOYSA-N 2 0 241.766 1.450 20 0 BDADRP C[C@@H](O)CC[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887134851 592449406 /nfs/dbraw/zinc/44/94/06/592449406.db2.gz RCQFNHRNXSUIBW-CHWSQXEVSA-N 2 0 249.358 1.363 20 0 BDADRP [NH2+]=C(NCCC[NH+]1CCCCC1)NCC1CC1 ZINC000887346994 592483610 /nfs/dbraw/zinc/48/36/10/592483610.db2.gz BALHQKDMGFVFKX-UHFFFAOYSA-N 2 0 238.379 1.386 20 0 BDADRP CC[NH+](CC)[C@H](C)CNC(=[NH2+])NCC1CC1 ZINC000887348336 592484849 /nfs/dbraw/zinc/48/48/49/592484849.db2.gz DULZCDIIQGKVCJ-SNVBAGLBSA-N 2 0 226.368 1.241 20 0 BDADRP [NH3+]CCCCCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925708212 634397678 /nfs/dbraw/zinc/39/76/78/634397678.db2.gz GYORTOVLQKBQSJ-QSLWVIQJSA-N 3 0 237.391 1.092 20 0 BDADRP CO[C@H]1C[N@H+](CCC[NH2+]C2CC2)CC[C@H]1C ZINC000299917036 634401959 /nfs/dbraw/zinc/40/19/59/634401959.db2.gz SYHNHFWALCQIQR-YPMHNXCESA-N 2 0 226.364 1.485 20 0 BDADRP Cc1ccncc1CC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925709574 634406654 /nfs/dbraw/zinc/40/66/54/634406654.db2.gz VMUFHQWEUSUQML-KBPBESRZSA-N 2 0 245.370 1.792 20 0 BDADRP CC1(C)C[C@]1(C)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925710867 634409651 /nfs/dbraw/zinc/40/96/51/634409651.db2.gz XZIZFAIXBQDZRO-RGEHDMMSSA-N 2 0 220.360 1.761 20 0 BDADRP C[C@@H]1CC[C@@H](N[C@@H]2CC[NH2+]C23CCCC3)C[NH2+]1 ZINC000925717505 634454592 /nfs/dbraw/zinc/45/45/92/634454592.db2.gz KNXHSOPRUMCNKM-JHJVBQTASA-N 2 0 237.391 1.391 20 0 BDADRP C[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)[NH+]1CCCCC1 ZINC000093215229 634463796 /nfs/dbraw/zinc/46/37/96/634463796.db2.gz NBKANAZULQYDFC-RDBSUJKOSA-N 2 0 239.407 1.720 20 0 BDADRP C([C@@H]1CCCCO1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000257698642 634473824 /nfs/dbraw/zinc/47/38/24/634473824.db2.gz PMDYMWDTDGMGFZ-KBPBESRZSA-N 2 0 238.375 1.774 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CC[C@H]1CCSC1 ZINC000925724983 634506120 /nfs/dbraw/zinc/50/61/20/634506120.db2.gz OVTITXZQBORZFI-WDEREUQCSA-N 2 0 228.405 1.860 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000925726626 634522150 /nfs/dbraw/zinc/52/21/50/634522150.db2.gz VANBZDIUFKPUDN-YNEHKIRRSA-N 2 0 239.407 1.495 20 0 BDADRP CC[NH+]1CCC(C[NH2+]Cc2cn(C)cn2)CC1 ZINC000310109767 634527290 /nfs/dbraw/zinc/52/72/90/634527290.db2.gz FAZUPOZRGVGBHO-UHFFFAOYSA-N 2 0 236.363 1.242 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCOCC3(CC3)C2)CC1 ZINC000893503412 634541423 /nfs/dbraw/zinc/54/14/23/634541423.db2.gz RYJIIQYSRPUOIQ-UHFFFAOYSA-N 2 0 238.375 1.441 20 0 BDADRP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@H]2[NH2+]C[C@@H]1C=CCC1 ZINC000925729982 634553934 /nfs/dbraw/zinc/55/39/34/634553934.db2.gz BWGQTZQMOCGNBU-RKQHYHRCSA-N 2 0 236.359 1.295 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000925834136 635482582 /nfs/dbraw/zinc/48/25/82/635482582.db2.gz WKSIJJJCWYEAOV-RGOKHQFPSA-N 2 0 236.281 1.915 20 0 BDADRP CC(C)(C)[NH2+]CCN1CC[C@@H](CC[NH3+])C1 ZINC000107805158 635486554 /nfs/dbraw/zinc/48/65/54/635486554.db2.gz QOCFLECRNZTEFB-LLVKDONJSA-N 2 0 213.369 1.045 20 0 BDADRP C[C@@H](NC[C@]12CCC[C@H]1[NH2+]CC2)[C@H]1CC[NH2+]C1 ZINC000925841842 635506869 /nfs/dbraw/zinc/50/68/69/635506869.db2.gz URMSMMBMYJOAQQ-XJFOESAGSA-N 2 0 237.391 1.106 20 0 BDADRP C[NH+](C)CCOCC[NH2+][C@H]1CCc2cccnc21 ZINC000234265404 635550978 /nfs/dbraw/zinc/55/09/78/635550978.db2.gz SLQJMTRGNUOANS-ZDUSSCGKSA-N 2 0 249.358 1.237 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCS[C@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000925860750 635554291 /nfs/dbraw/zinc/55/42/91/635554291.db2.gz KWGRFESMCQHOKJ-DDHJBXDOSA-N 2 0 228.405 1.858 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCN(C)C(C)(C)C2)CC[NH2+]1 ZINC000235368374 635577310 /nfs/dbraw/zinc/57/73/10/635577310.db2.gz ROGVIVRVGUANSR-CHWSQXEVSA-N 2 0 239.407 1.401 20 0 BDADRP CCn1cc([C@@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cn1 ZINC000925876412 635599373 /nfs/dbraw/zinc/59/93/73/635599373.db2.gz XDZLQHMIEWCUCU-WZRBSPASSA-N 2 0 236.363 1.681 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCOC2CCOCC2)C1 ZINC000925878795 635604152 /nfs/dbraw/zinc/60/41/52/635604152.db2.gz ZXGHZYILUKFIJJ-NEPJUHHUSA-N 2 0 242.363 1.042 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000925882242 635610570 /nfs/dbraw/zinc/61/05/70/635610570.db2.gz JPXLFXIBOOCRHN-RQJABVFESA-N 2 0 240.391 1.907 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cccc(CO)c1 ZINC000925881791 635610747 /nfs/dbraw/zinc/61/07/47/635610747.db2.gz GTPNALCFTPYGAQ-JMSVASOKSA-N 2 0 248.370 1.957 20 0 BDADRP CNC(=[NH2+])NCC1CC[NH+](CCC(C)C)CC1 ZINC000079382908 631362406 /nfs/dbraw/zinc/36/24/06/631362406.db2.gz MZFCVYYJWPFYOR-UHFFFAOYSA-N 2 0 240.395 1.279 20 0 BDADRP C[NH+]1CCC(C[NH2+]C[C@@H]2CCC[C@H]2O)CC1 ZINC000084230340 631437748 /nfs/dbraw/zinc/43/77/48/631437748.db2.gz QAJIIWWWPLHRQN-QWHCGFSZSA-N 2 0 226.364 1.079 20 0 BDADRP CSC[C@H](C)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000127341401 631441101 /nfs/dbraw/zinc/44/11/01/631441101.db2.gz WTCCKLXRAJHOCC-UWVGGRQHSA-N 2 0 202.367 1.470 20 0 BDADRP C[NH+]1CCC(C[NH2+]C[C@@]2(C)CCCO2)CC1 ZINC000087233373 631479424 /nfs/dbraw/zinc/47/94/24/631479424.db2.gz PMCYLOWENBXSJQ-CYBMUJFWSA-N 2 0 226.364 1.487 20 0 BDADRP CC(C)(C)SCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000308787816 631648511 /nfs/dbraw/zinc/64/85/11/631648511.db2.gz HBRJPAWPJBHHRR-QWRGUYRKSA-N 2 0 228.405 1.669 20 0 BDADRP C[N@H+](CCC1CC1)C[C@@H](O)C[NH+]1CCCC1 ZINC000309056139 631832779 /nfs/dbraw/zinc/83/27/79/631832779.db2.gz JZPAZMJOTGREQG-CYBMUJFWSA-N 2 0 226.364 1.175 20 0 BDADRP Cc1nc(C[NH2+]C2CCC([NH3+])CC2)cs1 ZINC000051692735 631868947 /nfs/dbraw/zinc/86/89/47/631868947.db2.gz SRCNJADFARTYJT-UHFFFAOYSA-N 2 0 225.361 1.811 20 0 BDADRP [NH3+]CCCCCCC(=O)NC1CCC([NH3+])CC1 ZINC000051694821 631869488 /nfs/dbraw/zinc/86/94/88/631869488.db2.gz MAGPMGDTFVGYNL-UHFFFAOYSA-N 2 0 241.379 1.282 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+](C)C[C@@H]2CCCOC2)CC[NH2+]1 ZINC000235365360 632028202 /nfs/dbraw/zinc/02/82/02/632028202.db2.gz FSOIHWPROGGADR-MCIONIFRSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H]([NH2+]CC[NH2+]C(C)(C)C)C1CCOCC1 ZINC000235512069 632042081 /nfs/dbraw/zinc/04/20/81/632042081.db2.gz OUPVIQVNMZYKEL-NSHDSACASA-N 2 0 228.380 1.779 20 0 BDADRP CC(C)NC(=[NH2+])NCCC[N@@H+]1CCCC[C@H]1C ZINC000052041115 632050830 /nfs/dbraw/zinc/05/08/30/632050830.db2.gz VGKCLHQROZOKDJ-GFCCVEGCSA-N 2 0 240.395 1.773 20 0 BDADRP C[C@@H](CNC(=[NH2+])NC(C)(C)C)[NH+]1CCCCC1 ZINC000052042797 632053565 /nfs/dbraw/zinc/05/35/65/632053565.db2.gz RIOFIPGKHUKJPA-NSHDSACASA-N 2 0 240.395 1.773 20 0 BDADRP C[NH+](C)CCOCC[NH2+][C@H]1CCCSCC1 ZINC000657987695 632665428 /nfs/dbraw/zinc/66/54/28/632665428.db2.gz STCQRXPBCZNWRA-LBPRGKRZSA-N 2 0 246.420 1.440 20 0 BDADRP C[C@H]1CCCN1CC[NH2+]C[C@@H]1CCC=CO1 ZINC000309755594 632665714 /nfs/dbraw/zinc/66/57/14/632665714.db2.gz HNEANGUVUNAZOF-STQMWFEESA-N 2 0 224.348 1.753 20 0 BDADRP CC(C)[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000309982582 632690145 /nfs/dbraw/zinc/69/01/45/632690145.db2.gz IPFTVAJCJOMAAR-KGLIPLIRSA-N 2 0 240.391 1.421 20 0 BDADRP C[C@@H]1COCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000310064665 632697811 /nfs/dbraw/zinc/69/78/11/632697811.db2.gz OZNOFEVCEPWIHF-RKFYDKJMSA-N 2 0 238.375 1.626 20 0 BDADRP C[C@@]1(C[NH3+])CC[N@H+](CCc2cccs2)C1 ZINC000235438814 632735326 /nfs/dbraw/zinc/73/53/26/632735326.db2.gz RKMORSVJYPDIEO-LBPRGKRZSA-N 2 0 224.373 1.961 20 0 BDADRP c1cncc(CC[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000310564264 632759744 /nfs/dbraw/zinc/75/97/44/632759744.db2.gz WVSAERAKKLIWFI-UONOGXRCSA-N 2 0 231.343 1.165 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000236261173 632770412 /nfs/dbraw/zinc/77/04/12/632770412.db2.gz GBFSVJMTFUFPRU-AGIUHOORSA-N 2 0 226.364 1.520 20 0 BDADRP CC(C)OCC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000158933887 632809228 /nfs/dbraw/zinc/80/92/28/632809228.db2.gz UTAUFILGTIDPSQ-LLVKDONJSA-N 2 0 200.326 1.143 20 0 BDADRP C[C@@H](Cc1ccccn1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000926666747 632794075 /nfs/dbraw/zinc/79/40/75/632794075.db2.gz WDMJMVJIPHGJLI-KCQAQPDRSA-N 2 0 247.386 1.942 20 0 BDADRP C[C@@H](CNC(=[NH2+])NC1CCCC1)[NH+]1CCCC1 ZINC000066245322 632861278 /nfs/dbraw/zinc/86/12/78/632861278.db2.gz DFDZIFYMLQXEBJ-NSHDSACASA-N 2 0 238.379 1.527 20 0 BDADRP Cc1cc(N)nc(N(C)C[C@H]2CCC[N@H+](C)C2)[nH+]1 ZINC000892554816 632966045 /nfs/dbraw/zinc/96/60/45/632966045.db2.gz MURWLMOQOJXDIS-NSHDSACASA-N 2 0 249.362 1.145 20 0 BDADRP CO[C@H]1CCC[C@H]1[NH2+]CC(C)(C)C[NH+](C)C ZINC000309375204 632990333 /nfs/dbraw/zinc/99/03/33/632990333.db2.gz QCVALUVNSIINJO-NEPJUHHUSA-N 2 0 228.380 1.731 20 0 BDADRP CCC[N@@H+]1CC[C@H](CNCc2c[nH]cn2)C1 ZINC000163801051 633064799 /nfs/dbraw/zinc/06/47/99/633064799.db2.gz ZYDYRNWNDIJXJD-LLVKDONJSA-N 2 0 222.336 1.231 20 0 BDADRP CC[C@H](NC(C[NH3+])C[NH3+])c1ccccc1 ZINC000309452826 633085892 /nfs/dbraw/zinc/08/58/92/633085892.db2.gz MXECDPZYUONEMZ-LBPRGKRZSA-N 2 0 207.321 1.013 20 0 BDADRP Cc1ncc(C[NH2+]CC2(C)CC[NH2+]CC2)s1 ZINC000062841837 633125679 /nfs/dbraw/zinc/12/56/79/633125679.db2.gz QQHNYHAXKZLMHW-UHFFFAOYSA-N 2 0 239.388 1.931 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CC[C@@H](CCCO)C2)CC1 ZINC000894797013 635926758 /nfs/dbraw/zinc/92/67/58/635926758.db2.gz HPZPEVUCWIUVRZ-CYBMUJFWSA-N 2 0 240.391 1.423 20 0 BDADRP C[C@@H](CCN[C@H]1CC[N@H+](C)C(C)(C)C1)[NH+](C)C ZINC000895290946 636131969 /nfs/dbraw/zinc/13/19/69/636131969.db2.gz WSCVSFCROKGOEA-STQMWFEESA-N 2 0 241.423 1.789 20 0 BDADRP C[C@H]1CCC[C@]1(O)C[NH2+]CC1CC[NH+](C)CC1 ZINC000328135569 633735603 /nfs/dbraw/zinc/73/56/03/633735603.db2.gz XYTUCGGFGCMXCL-JSGCOSHPSA-N 2 0 240.391 1.469 20 0 BDADRP C1C[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CS1 ZINC000328443706 633765343 /nfs/dbraw/zinc/76/53/43/633765343.db2.gz NIFRJWBKBQVEDH-DCHHYWPUSA-N 2 0 224.373 1.078 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000328508005 633773091 /nfs/dbraw/zinc/77/30/91/633773091.db2.gz ZELCQTCGROWTJM-VWBGDHHKSA-N 2 0 220.360 1.761 20 0 BDADRP C([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C1CCCC1 ZINC000328544486 633774627 /nfs/dbraw/zinc/77/46/27/633774627.db2.gz LNEXTYAFHQLHPT-MEBFFEOJSA-N 2 0 220.360 1.763 20 0 BDADRP CC[C@H](CSC)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328565068 633775151 /nfs/dbraw/zinc/77/51/51/633775151.db2.gz LEAOYLYDZFSUEB-NURVWSNCSA-N 2 0 240.416 1.714 20 0 BDADRP C([C@@H]1CC[NH2+]C1)[N@@H+]1CCC2(CCCC2)C1 ZINC000308913709 633833432 /nfs/dbraw/zinc/83/34/32/633833432.db2.gz HMHZZSNXLMNUQK-GFCCVEGCSA-N 2 0 208.349 1.862 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H]1CCC1(C)C ZINC000309229234 633869717 /nfs/dbraw/zinc/86/97/17/633869717.db2.gz IBYQUBVXWTWURI-RYUDHWBXSA-N 2 0 228.380 1.466 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCC[C@@H](CO)C2)CC1 ZINC000309354000 633900224 /nfs/dbraw/zinc/90/02/24/633900224.db2.gz GRECXTMIIZCYQT-CYBMUJFWSA-N 2 0 226.364 1.033 20 0 BDADRP C(N[C@H]1CC[NH2+]C12CCC2)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000925538579 633944875 /nfs/dbraw/zinc/94/48/75/633944875.db2.gz VGZCSPOLYJHBPH-JSGCOSHPSA-N 2 0 249.402 1.345 20 0 BDADRP C(N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000925538578 633945456 /nfs/dbraw/zinc/94/54/56/633945456.db2.gz VGZCSPOLYJHBPH-GXTWGEPZSA-N 2 0 249.402 1.345 20 0 BDADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CC[C@H]1C ZINC000309945298 633967496 /nfs/dbraw/zinc/96/74/96/633967496.db2.gz DDJPDRQSZOZHIC-OLZOCXBDSA-N 2 0 228.380 1.733 20 0 BDADRP COC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000053195392 634033944 /nfs/dbraw/zinc/03/39/44/634033944.db2.gz KNYAGUOKWBGKBJ-QWRGUYRKSA-N 2 0 212.337 1.095 20 0 BDADRP CC(C)[C@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000309982583 634056927 /nfs/dbraw/zinc/05/69/27/634056927.db2.gz IPFTVAJCJOMAAR-UONOGXRCSA-N 2 0 240.391 1.421 20 0 BDADRP CN(C[C@H]([NH3+])CC(F)F)CC1([NH+](C)C)CCC1 ZINC000310338456 634128151 /nfs/dbraw/zinc/12/81/51/634128151.db2.gz CDQYVUWOFQALKZ-SNVBAGLBSA-N 2 0 249.349 1.385 20 0 BDADRP C[C@@](O)(C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)C1CC1 ZINC000925608691 634144171 /nfs/dbraw/zinc/14/41/71/634144171.db2.gz HPIFGUVZUMINFY-MBNYWOFBSA-N 2 0 240.391 1.643 20 0 BDADRP Cc1cncc(CN[C@@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925628010 634184236 /nfs/dbraw/zinc/18/42/36/634184236.db2.gz DGAUYFZNBJYLTR-QWHCGFSZSA-N 2 0 231.343 1.750 20 0 BDADRP CC(C)(O)CC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925645836 634200390 /nfs/dbraw/zinc/20/03/90/634200390.db2.gz SHISAMMJEORCLZ-QWRGUYRKSA-N 2 0 228.380 1.643 20 0 BDADRP C[C@@H](CCCCO)[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925679020 634277342 /nfs/dbraw/zinc/27/73/42/634277342.db2.gz HCZBXXGNURQEBP-STQMWFEESA-N 2 0 240.391 1.802 20 0 BDADRP C[C@H](CCO)CC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925680895 634278722 /nfs/dbraw/zinc/27/87/22/634278722.db2.gz RULATRVXRFOWIG-WDEREUQCSA-N 2 0 214.353 1.125 20 0 BDADRP [NH3+]CCC[C@H](NCC[NH3+])c1ccccc1 ZINC000925689741 634306254 /nfs/dbraw/zinc/30/62/54/634306254.db2.gz IGHKXXIEZNTTDX-LBPRGKRZSA-N 2 0 207.321 1.015 20 0 BDADRP CC1(C)[C@H](N[C@@H]2CCC[NH2+]C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925689780 634309112 /nfs/dbraw/zinc/30/91/12/634309112.db2.gz ILYAXEMWOYAZND-FVCCEPFGSA-N 2 0 237.391 1.105 20 0 BDADRP C[C@H]([NH3+])[C@@H](NC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000925691973 634323047 /nfs/dbraw/zinc/32/30/47/634323047.db2.gz LCRRBGOJGVWMDV-FPMFFAJLSA-N 2 0 233.359 1.417 20 0 BDADRP C[C@H]([NH3+])CCN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925692526 634324982 /nfs/dbraw/zinc/32/49/82/634324982.db2.gz MACMXUOTTWHTJP-GARJFASQSA-N 2 0 213.369 1.219 20 0 BDADRP C[C@H]([NH3+])CCN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925692524 634325398 /nfs/dbraw/zinc/32/53/98/634325398.db2.gz MACMXUOTTWHTJP-AXFHLTTASA-N 2 0 213.369 1.219 20 0 BDADRP C[C@H]([NH3+])[C@H](NC[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000925693504 634329916 /nfs/dbraw/zinc/32/99/16/634329916.db2.gz PALMZWNWCKZPAW-CFVMTHIKSA-N 2 0 247.386 1.807 20 0 BDADRP C([NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000925696743 634356993 /nfs/dbraw/zinc/35/69/93/634356993.db2.gz AOWPJDRJIWCSLJ-RFQIPJPRSA-N 2 0 238.375 1.391 20 0 BDADRP C[C@H]([NH3+])CN[C@H](CCC[NH3+])c1ccccc1 ZINC000925698121 634362373 /nfs/dbraw/zinc/36/23/73/634362373.db2.gz BZEJCTSTDSBZBZ-WCQYABFASA-N 3 0 221.348 1.403 20 0 BDADRP C[C@@H]([NH3+])[C@H](NCC(C)(C)[NH3+])c1ccccc1 ZINC000925699729 634367832 /nfs/dbraw/zinc/36/78/32/634367832.db2.gz QEEIWDPWNMWBMQ-PWSUYJOCSA-N 2 0 221.348 1.402 20 0 BDADRP CCCC[C@@H](C[NH3+])N[C@H]1CC[NH2+]C12CCC2 ZINC000925700066 634367924 /nfs/dbraw/zinc/36/79/24/634367924.db2.gz REALUHFXUODCPD-RYUDHWBXSA-N 2 0 225.380 1.378 20 0 BDADRP C[C@@H](C[NH3+])N[C@H](CCC[NH3+])c1ccccc1 ZINC000925701346 634375127 /nfs/dbraw/zinc/37/51/27/634375127.db2.gz XWZPCINYHYZRNV-WCQYABFASA-N 2 0 221.348 1.403 20 0 BDADRP C([C@H]1CCC[NH2+]1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000220562817 635128228 /nfs/dbraw/zinc/12/82/28/635128228.db2.gz MIHPOIYTGCWHQF-ZIAGYGMSSA-N 2 0 237.391 1.299 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)[C@H](C)O)CC1 ZINC000309019934 635151429 /nfs/dbraw/zinc/15/14/29/635151429.db2.gz WLXZARSYNNBLQR-QWRGUYRKSA-N 2 0 214.353 1.218 20 0 BDADRP CC(=O)C1CC[NH+](CCCc2cncn2C)CC1 ZINC000314368454 635174980 /nfs/dbraw/zinc/17/49/80/635174980.db2.gz OMYAKPPBFQYXRF-UHFFFAOYSA-N 2 0 249.358 1.654 20 0 BDADRP C[C@H]1C[C@H](NCc2cc(N)cc[nH+]2)C[N@@H+]1C1CC1 ZINC000925771494 635208263 /nfs/dbraw/zinc/20/82/63/635208263.db2.gz MHQIZXUPNHNXNJ-GWCFXTLKSA-N 2 0 246.358 1.379 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000925771557 635208756 /nfs/dbraw/zinc/20/87/56/635208756.db2.gz BYGBWAWGYZDHDE-YNEHKIRRSA-N 2 0 238.375 1.663 20 0 BDADRP Cn1cncc1CCC[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000314830834 635239770 /nfs/dbraw/zinc/23/97/70/635239770.db2.gz ZSJPYSFTZADMSH-GFCCVEGCSA-N 2 0 236.363 1.023 20 0 BDADRP CCN(CC)C(=O)C[N@H+](C)CCCCCC[NH3+] ZINC000310171451 635292487 /nfs/dbraw/zinc/29/24/87/635292487.db2.gz UDVVMDAHJQFDAL-UHFFFAOYSA-N 2 0 243.395 1.306 20 0 BDADRP COCCC[C@H](C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925798128 635336474 /nfs/dbraw/zinc/33/64/74/635336474.db2.gz PYTMMYMWNUJCLC-FRRDWIJNSA-N 2 0 228.380 1.637 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925837899 635496499 /nfs/dbraw/zinc/49/64/99/635496499.db2.gz IYKYRSPSSUKCNQ-BFHYXJOUSA-N 3 0 239.407 1.626 20 0 BDADRP COC[C@H](C[NH2+]C1CCC([NH3+])CC1)C(C)C ZINC000925874381 635595015 /nfs/dbraw/zinc/59/50/15/635595015.db2.gz RJVLJVRIPRRXSX-HIFPTAJRSA-N 2 0 228.380 1.765 20 0 BDADRP COC[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])C(C)C ZINC000925873893 635595630 /nfs/dbraw/zinc/59/56/30/635595630.db2.gz MWGOWPVMMHGWJI-AGIUHOORSA-N 2 0 228.380 1.622 20 0 BDADRP COC[C@@H](C[NH2+][C@H](C)C1C[NH2+]C1)C(C)C ZINC000925874524 635596063 /nfs/dbraw/zinc/59/60/63/635596063.db2.gz SJFVOJUHIBLXLC-ZYHUDNBSSA-N 2 0 214.353 1.103 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(F)cn1 ZINC000925883020 635611919 /nfs/dbraw/zinc/61/19/19/635611919.db2.gz RFLGMGLVTIFSCX-UMNHJUIQSA-N 2 0 237.322 1.999 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]2CCO)CC1 ZINC000893724123 635626224 /nfs/dbraw/zinc/62/62/24/635626224.db2.gz SNYJEWAYSJNQPI-UONOGXRCSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@H]1CC[C@H](C[N@@H+]2CCC3(C2)CC[NH2+]CC3)O1 ZINC000310515373 636258876 /nfs/dbraw/zinc/25/88/76/636258876.db2.gz MHFGBSBXLNULJG-QWHCGFSZSA-N 2 0 238.375 1.629 20 0 BDADRP CC[C@H](C)[N@H+](C)CCNC(=[NH2+])N[C@@H]1C[C@H]1C ZINC000864455909 636762293 /nfs/dbraw/zinc/76/22/93/636762293.db2.gz ATNBRVGVCDYDNS-OUAUKWLOSA-N 2 0 226.368 1.239 20 0 BDADRP OCCC1CC([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000898011661 636852217 /nfs/dbraw/zinc/85/22/17/636852217.db2.gz SHFWZWMXDAFCPG-FKZOYECMSA-N 2 0 238.375 1.364 20 0 BDADRP OCCC1CC([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000898011662 636852416 /nfs/dbraw/zinc/85/24/16/636852416.db2.gz SHFWZWMXDAFCPG-GNRIBBGQSA-N 2 0 238.375 1.364 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)C1CC[NH+](C)CC1 ZINC000252730176 636885613 /nfs/dbraw/zinc/88/56/13/636885613.db2.gz KEDXLEMFDVBZBW-MRVWCRGKSA-N 2 0 240.391 1.610 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2[C@@H](C)COC[C@H]2C)C1 ZINC000924705747 637013991 /nfs/dbraw/zinc/01/39/91/637013991.db2.gz MIJRMOABVUSCGC-RFQIPJPRSA-N 2 0 240.391 1.589 20 0 BDADRP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)C(C)(C)CO ZINC000924718562 637032833 /nfs/dbraw/zinc/03/28/33/637032833.db2.gz ZKOVJQDABHEYLI-QWHCGFSZSA-N 2 0 242.407 1.715 20 0 BDADRP COc1ccc(C[N@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000111273304 637097818 /nfs/dbraw/zinc/09/78/18/637097818.db2.gz SICJNGMYFXWMMJ-OCCSQVGLSA-N 2 0 248.370 1.983 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902363593 637301132 /nfs/dbraw/zinc/30/11/32/637301132.db2.gz XDHADMVYDDPZRT-VXGBXAGGSA-N 2 0 228.380 1.371 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@H+](CCCCO)C2CC2)C1 ZINC000903437626 637360268 /nfs/dbraw/zinc/36/02/68/637360268.db2.gz KROAAWOYKKLOPU-NWDGAFQWSA-N 2 0 226.364 1.351 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@]3(CC3(F)F)C2)C1 ZINC000903461885 637363345 /nfs/dbraw/zinc/36/33/45/637363345.db2.gz ZQCZEEIDKOJBFA-AXFHLTTASA-N 2 0 230.302 1.845 20 0 BDADRP [NH3+]CCC[N@@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000903565779 637371727 /nfs/dbraw/zinc/37/17/27/637371727.db2.gz QCWHKZFGZUVCPW-NSHDSACASA-N 2 0 239.388 1.746 20 0 BDADRP CC(C)CC[N@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722911 637378323 /nfs/dbraw/zinc/37/83/23/637378323.db2.gz FGNFPPBVRZNCIK-UONOGXRCSA-N 2 0 240.391 1.733 20 0 BDADRP CC(C)[C@H](C)[N@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903722252 637379756 /nfs/dbraw/zinc/37/97/56/637379756.db2.gz JQIMQDAYDAXIOC-IHRRRGAJSA-N 2 0 240.391 1.731 20 0 BDADRP OC[C@H]1CCCCC[N@@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903788226 637382238 /nfs/dbraw/zinc/38/22/38/637382238.db2.gz GKRVETWAQGIKFM-ZIAGYGMSSA-N 2 0 240.391 1.613 20 0 BDADRP COC(=O)CCC1([NH2+]CCC[NH3+])CCCCC1 ZINC000904433331 637401302 /nfs/dbraw/zinc/40/13/02/637401302.db2.gz LOKWCCNUEMPGNI-UHFFFAOYSA-N 2 0 242.363 1.581 20 0 BDADRP CC1(C)C[NH2+]C[C@H]1NCc1ccc(C[NH3+])cc1 ZINC000904461660 637406829 /nfs/dbraw/zinc/40/68/29/637406829.db2.gz LRGOQGPNGOJQEA-CYBMUJFWSA-N 2 0 233.359 1.233 20 0 BDADRP C[C@H]1C[C@H](C[N@H+](C)Cc2cccc(=O)[nH]2)CC[NH2+]1 ZINC000904442734 637410781 /nfs/dbraw/zinc/41/07/81/637410781.db2.gz GFNVALRZLYSOLM-NWDGAFQWSA-N 2 0 249.358 1.607 20 0 BDADRP [NH3+]Cc1ccccc1NC[C@@]12C[C@@H]1C[NH2+]C2 ZINC000904485115 637428256 /nfs/dbraw/zinc/42/82/56/637428256.db2.gz MCHINDQCNCIWNA-YPMHNXCESA-N 2 0 217.316 1.167 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000904925802 637528878 /nfs/dbraw/zinc/52/88/78/637528878.db2.gz MDBNHFUBUUAJSI-LOWVWBTDSA-N 2 0 241.379 1.232 20 0 BDADRP CC(C)(C)[NH2+]Cc1cn(CCCCC[NH3+])nn1 ZINC000905056719 637588356 /nfs/dbraw/zinc/58/83/56/637588356.db2.gz DVAVTSLPYDSDFG-UHFFFAOYSA-N 2 0 239.367 1.295 20 0 BDADRP C[NH2+]CCCCc1nc(C2([NH3+])CCCC2)no1 ZINC000905304283 637762378 /nfs/dbraw/zinc/76/23/78/637762378.db2.gz DAHJLMRSHOSLEV-UHFFFAOYSA-N 2 0 238.335 1.340 20 0 BDADRP [NH3+]C1CC(Cc2nc(C3([NH3+])CCCC3)no2)C1 ZINC000905306272 637764887 /nfs/dbraw/zinc/76/48/87/637764887.db2.gz XMAZRKBWRCPKRV-UHFFFAOYSA-N 2 0 236.319 1.077 20 0 BDADRP [NH3+]C[C@@H]1C[C@@H]1c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000905310538 637766041 /nfs/dbraw/zinc/76/60/41/637766041.db2.gz LJWMEGQNTIEYDF-GBHDRSIESA-N 2 0 248.330 1.130 20 0 BDADRP CCC[C@@H](C)CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000905423875 637810981 /nfs/dbraw/zinc/81/09/81/637810981.db2.gz XQWYRNXZMSKHRD-ZIAGYGMSSA-N 2 0 242.407 1.859 20 0 BDADRP CSc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)cc1 ZINC000906508694 638181609 /nfs/dbraw/zinc/18/16/09/638181609.db2.gz VCLVVDDBXGQSAN-XYPYZODXSA-N 2 0 222.357 1.988 20 0 BDADRP [NH3+]C1CC(NCc2cc(F)c(F)cc2F)C1 ZINC000906509544 638181788 /nfs/dbraw/zinc/18/17/88/638181788.db2.gz IQYBZTKPZYXGJW-UHFFFAOYSA-N 2 0 230.233 1.683 20 0 BDADRP CC(C)n1cc(CNC2CC([NH3+])C2)cn1 ZINC000906509518 638181863 /nfs/dbraw/zinc/18/18/63/638181863.db2.gz HKEYXEZKINPKDS-UHFFFAOYSA-N 2 0 208.309 1.043 20 0 BDADRP [NH3+]C1CC(NCc2cnn(-c3ccccc3)c2)C1 ZINC000906509562 638181879 /nfs/dbraw/zinc/18/18/79/638181879.db2.gz JNZGVOBUJFEEEO-UHFFFAOYSA-N 2 0 242.326 1.452 20 0 BDADRP CCn1nc(C)c(CNC2CC([NH3+])C2)c1C ZINC000906509505 638182496 /nfs/dbraw/zinc/18/24/96/638182496.db2.gz GSJNHEISCIVGKZ-UHFFFAOYSA-N 2 0 222.336 1.099 20 0 BDADRP CC[C@H]1C[C@@H](C[NH2+]C2CC([NH3+])C2)CCO1 ZINC000906510130 638184630 /nfs/dbraw/zinc/18/46/30/638184630.db2.gz NDEVMAFQERYNKY-XKGSQUFQSA-N 2 0 212.337 1.271 20 0 BDADRP COC(=O)c1ccc(C[NH2+]C2CC([NH3+])C2)cc1C ZINC000906511480 638185352 /nfs/dbraw/zinc/18/53/52/638185352.db2.gz WPOSTLSXVSSPDG-UHFFFAOYSA-N 2 0 248.326 1.361 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]C/C=C\c2ccc(F)cc2)C1 ZINC000906516660 638185797 /nfs/dbraw/zinc/18/57/97/638185797.db2.gz GHJZVQTVBFPMEK-YPQSGKGNSA-N 2 0 220.291 1.918 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+][C@H]2C[C@H]([NH3+])C2)CCO1 ZINC000906517338 638187785 /nfs/dbraw/zinc/18/77/85/638187785.db2.gz NDEVMAFQERYNKY-DDHJBXDOSA-N 2 0 212.337 1.271 20 0 BDADRP COc1cccc2c1CC[C@H]([NH2+][C@H]1C[C@H]([NH3+])C1)C2 ZINC000906518545 638188121 /nfs/dbraw/zinc/18/81/21/638188121.db2.gz RNHMSJOKMJFXFZ-AVGNSLFASA-N 2 0 246.354 1.632 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2cnc3ccccc3c2)C1 ZINC000906517809 638188565 /nfs/dbraw/zinc/18/85/65/638188565.db2.gz SCERCUMSGKHVHM-JOCQHMNTSA-N 2 0 227.311 1.814 20 0 BDADRP CCCC[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000906529255 638194187 /nfs/dbraw/zinc/19/41/87/638194187.db2.gz JUSLYRWYPCOVSY-CYBMUJFWSA-N 2 0 227.396 1.260 20 0 BDADRP Cc1cc(NC2CC[NH+](C(C)C)CC2)nc(N)[nH+]1 ZINC000043533254 638520320 /nfs/dbraw/zinc/52/03/20/638520320.db2.gz QSKDNEQHDWXPDE-UHFFFAOYSA-N 2 0 249.362 1.652 20 0 BDADRP C[C@@H]1CC[C@H](C[N@H+](C)C2CCC([NH3+])CC2)O1 ZINC000149779512 639136788 /nfs/dbraw/zinc/13/67/88/639136788.db2.gz HBLFLKWNDHSNAF-IKWCTNDRSA-N 2 0 226.364 1.756 20 0 BDADRP CC[NH2+]Cc1cccc(NC(=O)[C@@H]2C[C@@H]2C[NH3+])c1 ZINC000911683472 639722170 /nfs/dbraw/zinc/72/21/70/639722170.db2.gz XHJLJAFAWOUKBS-DGCLKSJQSA-N 2 0 247.342 1.329 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000911713443 639739467 /nfs/dbraw/zinc/73/94/67/639739467.db2.gz ICTLMSLROVVJES-NWDGAFQWSA-N 2 0 241.379 1.008 20 0 BDADRP [NH3+]Cc1ccccc1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000911713154 639739841 /nfs/dbraw/zinc/73/98/41/639739841.db2.gz FZIJCXIOSBPWJG-GFCCVEGCSA-N 2 0 247.342 1.017 20 0 BDADRP CC(C)[NH2+]CCCNC(=O)C[C@@H]([NH3+])C(C)(C)C ZINC000911763830 639791817 /nfs/dbraw/zinc/79/18/17/639791817.db2.gz MKYAFJZFPQGCBO-LLVKDONJSA-N 2 0 243.395 1.254 20 0 BDADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)NCCC[NH2+]C(C)C ZINC000911764469 639791910 /nfs/dbraw/zinc/79/19/10/639791910.db2.gz TWNRTKMVXWHCPA-NWDGAFQWSA-N 2 0 243.395 1.254 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+](CCOC3CC3)C2)C1 ZINC000930555793 639810885 /nfs/dbraw/zinc/81/08/85/639810885.db2.gz QJMWTHMEKADJJI-ZDUSSCGKSA-N 2 0 224.348 1.193 20 0 BDADRP CC[C@@H](CO)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000930575796 639812933 /nfs/dbraw/zinc/81/29/33/639812933.db2.gz FGSXGXHSHWPSAO-STQMWFEESA-N 2 0 226.364 1.175 20 0 BDADRP CC[C@@H](CO)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000930602203 639817116 /nfs/dbraw/zinc/81/71/16/639817116.db2.gz MVYRQVIXEPDQKM-QWHCGFSZSA-N 2 0 226.364 1.175 20 0 BDADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)NC(CC)(CC)C[NH3+] ZINC000911800144 639822254 /nfs/dbraw/zinc/82/22/54/639822254.db2.gz OOQFXWRBHRTHHB-WDEREUQCSA-N 2 0 243.395 1.384 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)C23CC(C2)C[NH2+]3)cc1 ZINC000911843976 639839661 /nfs/dbraw/zinc/83/96/61/639839661.db2.gz DAGMHMAVDZQLNT-IPWFMCSPSA-N 2 0 245.326 1.397 20 0 BDADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000911817789 639850793 /nfs/dbraw/zinc/85/07/93/639850793.db2.gz GVPKDWSURZIKSO-TUAOUCFPSA-N 2 0 243.395 1.240 20 0 BDADRP CN(CC(C)(C)C[NH3+])C(=O)C[C@@H]([NH3+])C(C)(C)C ZINC000911867863 639852731 /nfs/dbraw/zinc/85/27/31/639852731.db2.gz NRLDEQJGSWRGCF-SNVBAGLBSA-N 2 0 243.395 1.193 20 0 BDADRP C[C@@H]1COCC[N@@H+]1CCCCCC[NH3+] ZINC000035776913 639920907 /nfs/dbraw/zinc/92/09/07/639920907.db2.gz BBZVDTFWSPTANJ-LLVKDONJSA-N 2 0 200.326 1.226 20 0 BDADRP C[NH+](C)C1(C)CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000931351110 640167213 /nfs/dbraw/zinc/16/72/13/640167213.db2.gz HDGPYJZRFLNLIG-CYBMUJFWSA-N 2 0 240.391 1.829 20 0 BDADRP C[NH+](C)C1(C)CCN(CC[NH+]2CCCC2)CC1 ZINC000931356072 640170303 /nfs/dbraw/zinc/17/03/03/640170303.db2.gz YGSMCDUVNTYKQW-UHFFFAOYSA-N 2 0 239.407 1.498 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CCN1[C@@H]2CC[C@H]1C[NH+](C)C2 ZINC000931391497 640174371 /nfs/dbraw/zinc/17/43/71/640174371.db2.gz HBIQKLQHQQMQAH-MCIONIFRSA-N 2 0 237.391 1.249 20 0 BDADRP COCC[C@H](C)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931438025 640202814 /nfs/dbraw/zinc/20/28/14/640202814.db2.gz XXBZPYJPAPMTET-RWMBFGLXSA-N 2 0 226.364 1.295 20 0 BDADRP Nc1ccnc2c1C[N@H+](CC1CCOCC1)CC2 ZINC000931512362 640242701 /nfs/dbraw/zinc/24/27/01/640242701.db2.gz XSDFLCPRBASDBG-UHFFFAOYSA-N 2 0 247.342 1.449 20 0 BDADRP CSCCC[N@@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000931724758 640338061 /nfs/dbraw/zinc/33/80/61/640338061.db2.gz MALBDIJJOVZIDX-NEPJUHHUSA-N 2 0 228.405 1.908 20 0 BDADRP C[C@@H]1CC2(CC([NH2+]CCCC[NH+](C)C)C2)CO1 ZINC000924855793 640346922 /nfs/dbraw/zinc/34/69/22/640346922.db2.gz SGYWZRHTXZQWKA-IYXRBSQSSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1cc(NC[C@H]2CC[N@@H+](C3CC3)C2)nc(N)[nH+]1 ZINC000221676751 640415164 /nfs/dbraw/zinc/41/51/64/640415164.db2.gz YHQWGCWIOIVIAX-SNVBAGLBSA-N 2 0 247.346 1.263 20 0 BDADRP C[NH+]1CCC(C[NH2+]CCOC(C)(C)C)CC1 ZINC000164395143 640474727 /nfs/dbraw/zinc/47/47/27/640474727.db2.gz OTWDKHWHQWBGFL-UHFFFAOYSA-N 2 0 228.380 1.733 20 0 BDADRP CC[NH+](CC)C[C@H](C)NC1CC[NH2+]CC1 ZINC000045693475 640638618 /nfs/dbraw/zinc/63/86/18/640638618.db2.gz WMWJBUVJZKIHLN-NSHDSACASA-N 2 0 213.369 1.058 20 0 BDADRP C([NH2+][C@H]1CCSC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000225018485 640658879 /nfs/dbraw/zinc/65/88/79/640658879.db2.gz MSGUKHMEJOKCJG-MNOVXSKESA-N 2 0 226.389 1.566 20 0 BDADRP CC(C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000226078927 640727599 /nfs/dbraw/zinc/72/75/99/640727599.db2.gz PNUNUEWIVLRKDC-WOPDTQHZSA-N 2 0 214.353 1.110 20 0 BDADRP Cc1nn(C)cc1CN1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000933732641 640752940 /nfs/dbraw/zinc/75/29/40/640752940.db2.gz AKWSRUSQMBOTDP-KGLIPLIRSA-N 2 0 248.374 1.112 20 0 BDADRP CC(C)[C@@H](O)CC[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933734339 640757212 /nfs/dbraw/zinc/75/72/12/640757212.db2.gz OGFFPACOXPYTHE-MELADBBJSA-N 2 0 240.391 1.277 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCCCCCO)C1 ZINC000226422649 640762638 /nfs/dbraw/zinc/76/26/38/640762638.db2.gz UHJHQQPGXSMNLD-CHWSQXEVSA-N 2 0 228.380 1.598 20 0 BDADRP COC[C@@H](C)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000226700764 640789886 /nfs/dbraw/zinc/78/98/86/640789886.db2.gz DNBYOIAVILFMKG-OLZOCXBDSA-N 2 0 228.380 1.875 20 0 BDADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCCCCCO ZINC000227257729 640822106 /nfs/dbraw/zinc/82/21/06/640822106.db2.gz VQFBFKWTHTVWJW-RYUDHWBXSA-N 2 0 214.353 1.351 20 0 BDADRP CS[C@H](C)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000169068926 640841556 /nfs/dbraw/zinc/84/15/56/640841556.db2.gz FCCMTBDJNQJSFL-MXWKQRLJSA-N 2 0 216.394 1.845 20 0 BDADRP CCSCC[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000229089455 640921265 /nfs/dbraw/zinc/92/12/65/640921265.db2.gz GSDVLQOPYKUWTK-QWRGUYRKSA-N 2 0 216.394 1.656 20 0 BDADRP C[N@@H+]1CC[C@H](NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000061989276 641012979 /nfs/dbraw/zinc/01/29/79/641012979.db2.gz BPUDPUYDYGKENH-ZDUSSCGKSA-N 2 0 239.407 1.543 20 0 BDADRP CCN(CCC[NH+](C)C)C(=O)CCCCC[NH3+] ZINC000230710446 641087894 /nfs/dbraw/zinc/08/78/94/641087894.db2.gz HIPXALOANIEWHC-UHFFFAOYSA-N 2 0 243.395 1.306 20 0 BDADRP CC(C)[C@@H](CCO)[NH2+]CC1CC[NH+](C)CC1 ZINC000231072719 641136598 /nfs/dbraw/zinc/13/65/98/641136598.db2.gz OPTAFWJKONHEIM-CYBMUJFWSA-N 2 0 228.380 1.325 20 0 BDADRP Cc1ccc(O)c(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)n1 ZINC000231459733 641175625 /nfs/dbraw/zinc/17/56/25/641175625.db2.gz WLFMADUMAQMEKR-LBPRGKRZSA-N 2 0 249.358 1.670 20 0 BDADRP C[N@H+](C[C@@H](O)CC1CCCC1)C1CC[NH2+]CC1 ZINC000232148348 641246539 /nfs/dbraw/zinc/24/65/39/641246539.db2.gz HQUZMZKIFNRPOP-AWEZNQCLSA-N 2 0 240.391 1.611 20 0 BDADRP C(COCC1CC1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000232459030 641286539 /nfs/dbraw/zinc/28/65/39/641286539.db2.gz WLLNJHXYWRRCJU-LBPRGKRZSA-N 2 0 212.337 1.145 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000089147686 641464994 /nfs/dbraw/zinc/46/49/94/641464994.db2.gz FQPSMIOJWBMNRX-NWDGAFQWSA-N 2 0 248.326 1.632 20 0 BDADRP C[NH+](C)CC1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000042388746 641552258 /nfs/dbraw/zinc/55/22/58/641552258.db2.gz YUUJKLCZDJEUMZ-UHFFFAOYSA-N 3 0 239.407 1.402 20 0 BDADRP CC[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CCS1 ZINC000158591182 641641952 /nfs/dbraw/zinc/64/19/52/641641952.db2.gz OHUVJQRKXFFCAO-GFCCVEGCSA-N 2 0 228.405 1.813 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCOC1 ZINC000158632722 641644114 /nfs/dbraw/zinc/64/41/14/641644114.db2.gz XDSIQZOJNYVYNQ-WYUUTHIRSA-N 2 0 212.337 1.128 20 0 BDADRP CC(C)OCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000158922151 641658545 /nfs/dbraw/zinc/65/85/45/641658545.db2.gz BKYRMIKDCGFRRC-VXGBXAGGSA-N 2 0 214.353 1.519 20 0 BDADRP Cc1cc(NCC[N@H+]2CCCC[C@@H]2C)nc(N)[nH+]1 ZINC000917068851 642001687 /nfs/dbraw/zinc/00/16/87/642001687.db2.gz CFVNQBIZRAUMGM-NSHDSACASA-N 2 0 249.362 1.654 20 0 BDADRP CCO[C@@H]1CCC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000891401491 642471038 /nfs/dbraw/zinc/47/10/38/642471038.db2.gz XSQAEZPGXKRGLX-CQSZACIVSA-N 2 0 240.391 1.829 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CCOCC1 ZINC000925479658 642480882 /nfs/dbraw/zinc/48/08/82/642480882.db2.gz CMSCPHLZUNLYDY-UYVFGJEYSA-N 2 0 224.348 1.271 20 0 BDADRP CCCN1CC[NH+](C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000233033944 642646459 /nfs/dbraw/zinc/64/64/59/642646459.db2.gz VLWJZABDQKNZTP-ZIAGYGMSSA-N 2 0 239.407 1.402 20 0 BDADRP CCN(Cc1ccccn1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000233486931 642675687 /nfs/dbraw/zinc/67/56/87/642675687.db2.gz VCMOURBTISIRHQ-OLZOCXBDSA-N 2 0 233.359 1.759 20 0 BDADRP Cc1nc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)oc1C ZINC000070170711 642986454 /nfs/dbraw/zinc/98/64/54/642986454.db2.gz PKEFCDITTBISIW-LBPRGKRZSA-N 2 0 237.347 1.852 20 0 BDADRP C[C@H](CNC(=O)CC[C@H](C)[NH3+])[NH+]1CCCCC1 ZINC000070317078 643014029 /nfs/dbraw/zinc/01/40/29/643014029.db2.gz WKGVTQMQSWPSPE-NWDGAFQWSA-N 2 0 241.379 1.104 20 0 BDADRP CC(C)C[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000070533138 643033753 /nfs/dbraw/zinc/03/37/53/643033753.db2.gz VCJBDUQATSFDNP-UHFFFAOYSA-N 2 0 206.333 1.933 20 0 BDADRP C[C@H](C[NH3+])N(C)C(=O)CC1(C[NH3+])CCCCC1 ZINC000184132456 643194473 /nfs/dbraw/zinc/19/44/73/643194473.db2.gz HOBPAYDCTWLWTC-LLVKDONJSA-N 2 0 241.379 1.091 20 0 BDADRP CCOCC[N@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000233746430 643246287 /nfs/dbraw/zinc/24/62/87/643246287.db2.gz ZCDDJQRWQUUQBB-RYUDHWBXSA-N 2 0 214.353 1.343 20 0 BDADRP C[C@@H]1C[N@H+](CCCCCC[NH3+])[C@H](C)CO1 ZINC000035787491 643253428 /nfs/dbraw/zinc/25/34/28/643253428.db2.gz ZNXHJOOTSDQJRU-VXGBXAGGSA-N 2 0 214.353 1.615 20 0 BDADRP C[N@H+](CCCCCC[NH3+])C[C@H]1CCCOC1 ZINC000082545736 643340926 /nfs/dbraw/zinc/34/09/26/643340926.db2.gz VOOWHGRQHJACKQ-CYBMUJFWSA-N 2 0 228.380 1.864 20 0 BDADRP COCC[N@H+](CC(C)C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000082560714 643342793 /nfs/dbraw/zinc/34/27/93/643342793.db2.gz KSTKHPXGFFTRIF-OLZOCXBDSA-N 2 0 228.380 1.446 20 0 BDADRP C[C@@H]([NH2+]CCCCCC[NH3+])[C@H]1CCCC[NH2+]1 ZINC000843344395 643342735 /nfs/dbraw/zinc/34/27/35/643342735.db2.gz YYBXALKYEBPCJM-CHWSQXEVSA-N 3 0 227.396 1.626 20 0 BDADRP ClC1(Cl)C[C@H]1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000306998183 643384403 /nfs/dbraw/zinc/38/44/03/643384403.db2.gz XURMQYZWIPQORB-YIZRAAEISA-N 2 0 235.158 1.331 20 0 BDADRP CCC(O)(CC)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000084217114 643651225 /nfs/dbraw/zinc/65/12/25/643651225.db2.gz WEOMTNRBDDMMPF-NWDGAFQWSA-N 2 0 228.380 1.645 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000084217107 643651397 /nfs/dbraw/zinc/65/13/97/643651397.db2.gz ADVYWARKJGOFNL-WOPDTQHZSA-N 2 0 214.353 1.255 20 0 BDADRP C[N@H+](CC[C@H]1CC[NH2+]C1)C[C@@H]1CCCCO1 ZINC000084385160 643660288 /nfs/dbraw/zinc/66/02/88/643660288.db2.gz TXHHLNRACUGQBC-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H](C)CO1 ZINC000085014642 643678793 /nfs/dbraw/zinc/67/87/93/643678793.db2.gz CWVLZEWZFZLPGL-KKOKHZNYSA-N 2 0 212.337 1.223 20 0 BDADRP C[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC(C)(C)O1 ZINC000085015537 643679444 /nfs/dbraw/zinc/67/94/44/643679444.db2.gz MMTBZWVAJLWWRJ-TUAOUCFPSA-N 2 0 226.364 1.613 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000922820754 644111039 /nfs/dbraw/zinc/11/10/39/644111039.db2.gz JIDJALRDXCYLIM-MJBXVCDLSA-N 2 0 240.391 1.754 20 0 BDADRP CC(C)CC[C@H](O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000923284522 644309727 /nfs/dbraw/zinc/30/97/27/644309727.db2.gz OPLUAXUKWZYBJC-OCCSQVGLSA-N 2 0 242.407 1.843 20 0 BDADRP C[N@H+](C[C@@H](O)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000923279356 644311051 /nfs/dbraw/zinc/31/10/51/644311051.db2.gz MCURNAZYZFWLLJ-HNNXBMFYSA-N 2 0 248.370 1.274 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](C[C@@H](O)CCC(C)C)C1 ZINC000923285120 644317228 /nfs/dbraw/zinc/31/72/28/644317228.db2.gz ABHPJBUVBLSZQT-OLZOCXBDSA-N 2 0 228.380 1.325 20 0 BDADRP CCCCCC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000923289790 644324582 /nfs/dbraw/zinc/32/45/82/644324582.db2.gz LZJFASCAHNUPAJ-HZSPNIEDSA-N 2 0 242.407 1.987 20 0 BDADRP CCOCCOCC[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000923290532 644325816 /nfs/dbraw/zinc/32/58/16/644325816.db2.gz YNUBTKUYJKVDIE-STQMWFEESA-N 2 0 244.379 1.099 20 0 BDADRP CC(C)CC[C@@H](O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000923295722 644331313 /nfs/dbraw/zinc/33/13/13/644331313.db2.gz FQIPTKFNBKWZML-OLZOCXBDSA-N 2 0 228.380 1.501 20 0 BDADRP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@H](O)CC(F)(F)F ZINC000923295407 644331659 /nfs/dbraw/zinc/33/16/59/644331659.db2.gz ABJHZULQALOIDT-RKDXNWHRSA-N 2 0 242.285 1.263 20 0 BDADRP CC[C@@H]1CCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923307367 644336820 /nfs/dbraw/zinc/33/68/20/644336820.db2.gz RYKURNYVLPUQBM-OLZOCXBDSA-N 2 0 238.375 1.487 20 0 BDADRP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@H](O)CC1CCCC1 ZINC000923298868 644337254 /nfs/dbraw/zinc/33/72/54/644337254.db2.gz GIFBIONOWVBFTA-ZIAGYGMSSA-N 2 0 242.407 1.891 20 0 BDADRP CC[C@@H]1C[C@@H](C)C[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923314594 644341434 /nfs/dbraw/zinc/34/14/34/644341434.db2.gz BGDKWBOFJONQDX-UPJWGTAASA-N 2 0 238.375 1.485 20 0 BDADRP CCC(CC)(CC)[NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923318487 644344667 /nfs/dbraw/zinc/34/46/67/644344667.db2.gz LIHJSWVBBMIXIX-LBPRGKRZSA-N 2 0 240.391 1.923 20 0 BDADRP CCC1(C)CC[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923312065 644347169 /nfs/dbraw/zinc/34/71/69/644347169.db2.gz HIUAHFRIMZZTGP-SRVKXCTJSA-N 2 0 226.364 1.349 20 0 BDADRP CN(CCC[NH2+]C1CC1)[C@H]1CCC[NH2+]CC1 ZINC000923333977 644354913 /nfs/dbraw/zinc/35/49/13/644354913.db2.gz DRNRSMFQGZCRGP-ZDUSSCGKSA-N 2 0 225.380 1.202 20 0 BDADRP CCc1onc(C)c1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000923333063 644355503 /nfs/dbraw/zinc/35/55/03/644355503.db2.gz SYMVVUNUPYKEFP-MWLCHTKSSA-N 2 0 237.347 1.715 20 0 BDADRP CCOCCOCC[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000923334687 644356845 /nfs/dbraw/zinc/35/68/45/644356845.db2.gz JJMFUYHWIOGVEM-ZDUSSCGKSA-N 2 0 244.379 1.113 20 0 BDADRP [NH3+]C1(C[NH2+]C[C@@H](O)CCc2ccccc2)CCC1 ZINC000923331978 644359797 /nfs/dbraw/zinc/35/97/97/644359797.db2.gz JTGKCBZLMYXZFI-AWEZNQCLSA-N 2 0 248.370 1.451 20 0 BDADRP C(C[NH2+]C1CC1)CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000923355280 644373350 /nfs/dbraw/zinc/37/33/50/644373350.db2.gz IOKHCXRXGQVSHR-CQSZACIVSA-N 2 0 237.391 1.204 20 0 BDADRP Cc1ccc([C@@H](O)C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000923355222 644374097 /nfs/dbraw/zinc/37/40/97/644374097.db2.gz HVGVPKSIQWIMPU-LSDHHAIUSA-N 2 0 248.370 1.699 20 0 BDADRP CC[C@H](O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000923363590 644375906 /nfs/dbraw/zinc/37/59/06/644375906.db2.gz DAYNGBZGFZTYMS-AVGNSLFASA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCCC[NH2+]C1CC1 ZINC000923371724 644384971 /nfs/dbraw/zinc/38/49/71/644384971.db2.gz ZSGKDXFNIXMPEP-WZRBSPASSA-N 2 0 225.380 1.105 20 0 BDADRP CC[C@@H]1[C@H](C)CC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923376298 644388738 /nfs/dbraw/zinc/38/87/38/644388738.db2.gz KSJGFIQKHKKEEC-JHJVBQTASA-N 2 0 238.375 1.485 20 0 BDADRP [NH3+][C@@H]1Cc2ccccc2N(CCC[NH2+]C2CC2)C1 ZINC000923379544 644390743 /nfs/dbraw/zinc/39/07/43/644390743.db2.gz KAYNJOREYSOCRK-CYBMUJFWSA-N 2 0 245.370 1.519 20 0 BDADRP CC[C@H]1CCC[C@H]1[NH2+][C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923376389 644392178 /nfs/dbraw/zinc/39/21/78/644392178.db2.gz ANMNFIBGVGKNMP-SVNGYHJRSA-N 2 0 212.337 1.005 20 0 BDADRP CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923376430 644392241 /nfs/dbraw/zinc/39/22/41/644392241.db2.gz AWDCEWYIXCJRSI-HPCHECBXSA-N 2 0 240.391 1.641 20 0 BDADRP CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923379302 644392264 /nfs/dbraw/zinc/39/22/64/644392264.db2.gz OSPRIXLVGCUBMF-SRVKXCTJSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@@]12COC[C@@H]1C[N@H+](CCC[NH2+]C1CC1)C2 ZINC000923387252 644399900 /nfs/dbraw/zinc/39/99/00/644399900.db2.gz CFQUHOJBGAPJHY-WCQYABFASA-N 2 0 224.348 1.097 20 0 BDADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCC[C@H](C3CCC3)C2)C1 ZINC000923396057 644403310 /nfs/dbraw/zinc/40/33/10/644403310.db2.gz UWGOOIQEEVOSFV-XUXIUFHCSA-N 2 0 238.375 1.349 20 0 BDADRP CC[C@H](O)C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000923415876 644408522 /nfs/dbraw/zinc/40/85/22/644408522.db2.gz RZQBWLDUNOYSMY-WCQYABFASA-N 2 0 228.380 1.454 20 0 BDADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCCC3(CC3)CC2)C1 ZINC000923408585 644412648 /nfs/dbraw/zinc/41/26/48/644412648.db2.gz CFDQKCMWWSWXEK-SRVKXCTJSA-N 2 0 224.348 1.103 20 0 BDADRP C(C[NH2+]C1CC1)C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000923412795 644413893 /nfs/dbraw/zinc/41/38/93/644413893.db2.gz BLABINRVKKVNNM-RYUDHWBXSA-N 2 0 240.416 1.813 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccccn1 ZINC000084217848 644421090 /nfs/dbraw/zinc/42/10/90/644421090.db2.gz FTOULTBDPHFXEA-ZYHUDNBSSA-N 2 0 205.305 1.299 20 0 BDADRP CC(C)CC[C@H](O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000923419789 644425528 /nfs/dbraw/zinc/42/55/28/644425528.db2.gz CMGCPZQINJUESW-SRVKXCTJSA-N 2 0 228.380 1.499 20 0 BDADRP C[C@@H]1[C@H](C)NC[C@H](C)[N@@H+]1CCCCCCC[NH3+] ZINC000923436567 644428878 /nfs/dbraw/zinc/42/88/78/644428878.db2.gz PBJPOBRKRNIFID-MELADBBJSA-N 2 0 241.423 1.966 20 0 BDADRP CC(C)C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923455911 644434866 /nfs/dbraw/zinc/43/48/66/644434866.db2.gz ACCOBDIHYIOGMC-LBPRGKRZSA-N 2 0 226.364 1.472 20 0 BDADRP c1ccc([C@H]2C[C@@H]2N2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000923459738 644435747 /nfs/dbraw/zinc/43/57/47/644435747.db2.gz DXKULICPHFKDMR-CABCVRRESA-N 2 0 245.370 1.037 20 0 BDADRP CCO[C@H](C[N@@H+]1CC[C@@H](CC[NH3+])C1)C1CC1 ZINC000923480858 644458311 /nfs/dbraw/zinc/45/83/11/644458311.db2.gz KTZUBCFXKFYOQU-DGCLKSJQSA-N 2 0 226.364 1.472 20 0 BDADRP CCOC(=O)CCCC[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923484839 644461398 /nfs/dbraw/zinc/46/13/98/644461398.db2.gz OJNHPELYUOSTQX-LBPRGKRZSA-N 2 0 242.363 1.391 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CC[C@H]1C[NH3+] ZINC000923488782 644465130 /nfs/dbraw/zinc/46/51/30/644465130.db2.gz GTOHKBHTADZZFM-PEBLQZBPSA-N 2 0 222.376 1.949 20 0 BDADRP C[C@H]1C[N@H+](C[C@@H](O)c2ccccc2)CC[C@H]1C[NH3+] ZINC000923490070 644465665 /nfs/dbraw/zinc/46/56/65/644465665.db2.gz AQFHNNUCTBZRNV-AEGPPILISA-N 2 0 248.370 1.637 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cccnc2N)CC[C@@H]1C[NH3+] ZINC000923490351 644465937 /nfs/dbraw/zinc/46/59/37/644465937.db2.gz NBEPUUYZXWYCRR-GHMZBOCLSA-N 2 0 234.347 1.081 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccns2)CC[C@@H]1C[NH3+] ZINC000923492135 644467738 /nfs/dbraw/zinc/46/77/38/644467738.db2.gz WGEQKMQAHYPIBV-VHSXEESVSA-N 2 0 225.361 1.560 20 0 BDADRP C[C@@H]1C[N@H+](CCCCCC[NH3+])CC[C@@H]1C[NH3+] ZINC000923493196 644468049 /nfs/dbraw/zinc/46/80/49/644468049.db2.gz FJSALJXBATUUCV-CHWSQXEVSA-N 3 0 227.396 1.422 20 0 BDADRP C[C@H]1C[N@H+](Cc2cscn2)CC[C@H]1C[NH3+] ZINC000923496926 644469261 /nfs/dbraw/zinc/46/92/61/644469261.db2.gz CRCDCKUOODEQQP-UWVGGRQHSA-N 2 0 225.361 1.560 20 0 BDADRP C[C@H]1C[N@H+](CCCCCCO)CC[C@@H]1C[NH3+] ZINC000923502253 644470800 /nfs/dbraw/zinc/47/08/00/644470800.db2.gz YIWQJGVEYDWMAK-QWHCGFSZSA-N 2 0 228.380 1.456 20 0 BDADRP C[C@H]1C[N@H+](Cc2nccs2)CC[C@H]1C[NH3+] ZINC000923499858 644472419 /nfs/dbraw/zinc/47/24/19/644472419.db2.gz MNVSBTQMRLYCKX-UWVGGRQHSA-N 2 0 225.361 1.560 20 0 BDADRP C[C@@H]1C[N@H+](CCCCCCC[NH3+])CC[C@@H]1C[NH3+] ZINC000923497416 644473486 /nfs/dbraw/zinc/47/34/86/644473486.db2.gz DYXPKGODUVSPJD-ZIAGYGMSSA-N 3 0 241.423 1.812 20 0 BDADRP Cc1noc([C@H](C)[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000923498797 644474234 /nfs/dbraw/zinc/47/42/34/644474234.db2.gz LPVDSHWCIUJCCC-YWVKMMECSA-N 2 0 238.335 1.356 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cccc(N)c2)CC[C@H]1C[NH3+] ZINC000923501326 644475074 /nfs/dbraw/zinc/47/50/74/644475074.db2.gz QLIGTBIVCBLFOH-YPMHNXCESA-N 2 0 233.359 1.686 20 0 BDADRP C[C@H](c1ccncc1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518913 644483680 /nfs/dbraw/zinc/48/36/80/644483680.db2.gz ZDIDSEFMOCRWJW-KWCYVHTRSA-N 2 0 231.343 1.684 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923531095 644486108 /nfs/dbraw/zinc/48/61/08/644486108.db2.gz PBENCFQMKDWYFP-IHRRRGAJSA-N 2 0 238.375 1.629 20 0 BDADRP C(C[NH2+]C1CC1)CN1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923531654 644490961 /nfs/dbraw/zinc/49/09/61/644490961.db2.gz UQQDCUKGCJDASQ-AWEZNQCLSA-N 2 0 237.391 1.347 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](CCc2ccc3c(c2)CCO3)C1 ZINC000088103061 644510519 /nfs/dbraw/zinc/51/05/19/644510519.db2.gz MNQGGGVWZRCXOS-ZDUSSCGKSA-N 2 0 246.354 1.445 20 0 BDADRP CCN1CCC([N@H+](C)CC[C@H]2CC[NH2+]C2)CC1 ZINC000089749300 644565073 /nfs/dbraw/zinc/56/50/73/644565073.db2.gz KROIPAPPMUIBRN-CYBMUJFWSA-N 2 0 239.407 1.402 20 0 BDADRP CCc1noc(C[N@H+](C)C2CCC([NH3+])CC2)n1 ZINC000091846337 644642824 /nfs/dbraw/zinc/64/28/24/644642824.db2.gz PRGRIYPVXXYACL-UHFFFAOYSA-N 2 0 238.335 1.334 20 0 BDADRP CCCCC[C@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000092721351 644665933 /nfs/dbraw/zinc/66/59/33/644665933.db2.gz YVUIPKZVPOWVJG-ZDUSSCGKSA-N 2 0 241.423 1.968 20 0 BDADRP Cc1cc(N2CC[NH+](CCCCO)CC2)cc[nH+]1 ZINC000775483155 644702808 /nfs/dbraw/zinc/70/28/08/644702808.db2.gz MZROYFYFVFTAFQ-UHFFFAOYSA-N 2 0 249.358 1.285 20 0 BDADRP CCOCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250385561 644756653 /nfs/dbraw/zinc/75/66/53/644756653.db2.gz KQPRSWXKQFCHCR-JHJVBQTASA-N 2 0 226.364 1.533 20 0 BDADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@H]1CCOC1 ZINC000251385172 644803211 /nfs/dbraw/zinc/80/32/11/644803211.db2.gz QLNUNAORTXJMRX-ODWCKFRGSA-N 2 0 224.348 1.367 20 0 BDADRP C[C@@H]1C[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000251852918 644826155 /nfs/dbraw/zinc/82/61/55/644826155.db2.gz RQDCXPYIVRLKCI-RLAWYHOSSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@H]1C[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000251852915 644826476 /nfs/dbraw/zinc/82/64/76/644826476.db2.gz RQDCXPYIVRLKCI-FUDCBSFHSA-N 2 0 238.375 1.628 20 0 BDADRP OCCCCCC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000303621895 644834171 /nfs/dbraw/zinc/83/41/71/644834171.db2.gz ZVPKSUGLWKPKQE-CYBMUJFWSA-N 2 0 226.364 1.225 20 0 BDADRP C[C@@H](O)C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000252746067 644897195 /nfs/dbraw/zinc/89/71/95/644897195.db2.gz BDUTZANBONMRHU-XQHREUISSA-N 2 0 226.364 1.361 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+]CCCCCC[NH3+])CC[NH2+]1 ZINC000843129105 645266869 /nfs/dbraw/zinc/26/68/69/645266869.db2.gz MICAYBGXKFGJJG-CHWSQXEVSA-N 3 0 227.396 1.483 20 0 BDADRP C[C@H]1COC[C@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000926557287 645279176 /nfs/dbraw/zinc/27/91/76/645279176.db2.gz ANTSTSLBOMLZFN-WCQYABFASA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H]1COC[C@@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000926557285 645279992 /nfs/dbraw/zinc/27/99/92/645279992.db2.gz ANTSTSLBOMLZFN-AAEUAGOBSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1[C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)CO[C@H]1C ZINC000926574353 645293164 /nfs/dbraw/zinc/29/31/64/645293164.db2.gz WEGOCYRXPYUKPE-FQUUOJAGSA-N 2 0 240.391 1.731 20 0 BDADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)C(C)(C)CO ZINC000926644077 645330703 /nfs/dbraw/zinc/33/07/03/645330703.db2.gz FFOKQDIWXLKBEL-ZDUSSCGKSA-N 2 0 244.423 1.961 20 0 BDADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CO[C@H](C)[C@H]1C ZINC000926646312 645332438 /nfs/dbraw/zinc/33/24/38/645332438.db2.gz XNALEVMXMKCSRI-MGPQQGTHSA-N 2 0 242.407 1.977 20 0 BDADRP C[C@@H]1[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CO[C@H]1C ZINC000926665853 645344596 /nfs/dbraw/zinc/34/45/96/645344596.db2.gz NNHRNUHZVGDLHF-NWBUJAPZSA-N 2 0 226.364 1.340 20 0 BDADRP C[C@H]1[C@H](C)OC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000926665852 645345900 /nfs/dbraw/zinc/34/59/00/645345900.db2.gz NNHRNUHZVGDLHF-JZRPKSSGSA-N 2 0 226.364 1.340 20 0 BDADRP FCCOCC[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000926735066 645395045 /nfs/dbraw/zinc/39/50/45/645395045.db2.gz LUJYGCQSZWIUIX-STQMWFEESA-N 2 0 244.354 1.579 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]CCOc2cccnc2)C12CCC2 ZINC000925487883 645496291 /nfs/dbraw/zinc/49/62/91/645496291.db2.gz HAUXGWRAOVIOAP-STQMWFEESA-N 2 0 247.342 1.320 20 0 BDADRP CC[N@@H+]1CCC[C@@H](N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000925494013 645726936 /nfs/dbraw/zinc/72/69/36/645726936.db2.gz NHLUXYQMENSXIO-OLZOCXBDSA-N 2 0 237.391 1.345 20 0 BDADRP Cn1cc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)cn1 ZINC000925500833 645943182 /nfs/dbraw/zinc/94/31/82/645943182.db2.gz GTLZMKUXTLJNCK-NWDGAFQWSA-N 2 0 236.363 1.416 20 0 BDADRP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]CCC[NH+](C)C ZINC000924538561 646057914 /nfs/dbraw/zinc/05/79/14/646057914.db2.gz DCUKWZZMFQPZDC-GDNZZTSVSA-N 2 0 214.353 1.199 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000723627470 711526869 /nfs/dbraw/zinc/52/68/69/711526869.db2.gz DDAMORYRZBKPML-FVCCEPFGSA-N 2 0 226.364 1.376 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2ccccn2)C1 ZINC000924704683 646092450 /nfs/dbraw/zinc/09/24/50/646092450.db2.gz GZZFSEIIXIKTGG-KGLIPLIRSA-N 2 0 247.386 1.944 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)Cc2ccccn2)C1 ZINC000924704682 646093982 /nfs/dbraw/zinc/09/39/82/646093982.db2.gz GZZFSEIIXIKTGG-KBPBESRZSA-N 2 0 247.386 1.944 20 0 BDADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccnnc1 ZINC000924855813 646119569 /nfs/dbraw/zinc/11/95/69/646119569.db2.gz SYKQGRHNQJDTSO-LLVKDONJSA-N 2 0 222.336 1.469 20 0 BDADRP C[C@H]1COC[C@H](C)C1[NH2+]CCCC[NH+](C)C ZINC000924854383 646119669 /nfs/dbraw/zinc/11/96/69/646119669.db2.gz MJYAOMSJGUEKNG-RYUDHWBXSA-N 2 0 228.380 1.589 20 0 BDADRP C[C@@H]1COC[C@@H](C)C1[NH2+]CC1CC[NH+](C)CC1 ZINC000924963539 646143580 /nfs/dbraw/zinc/14/35/80/646143580.db2.gz KQGKAYQKWZLIML-VXGBXAGGSA-N 2 0 240.391 1.589 20 0 BDADRP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000924963536 646144726 /nfs/dbraw/zinc/14/47/26/646144726.db2.gz KQGKAYQKWZLIML-IMRBUKKESA-N 2 0 240.391 1.589 20 0 BDADRP CC[NH+]1CCC(CC[NH2+][C@H]2COC[C@@H]2C)CC1 ZINC000925153655 646194782 /nfs/dbraw/zinc/19/47/82/646194782.db2.gz ZKZYAHOPADBFNE-JSGCOSHPSA-N 2 0 240.391 1.733 20 0 BDADRP Cn1ccc(C[NH2+]C2[C@@H]3CC[C@H]2C[N@@H+](C)C3)c1 ZINC000925213079 646211193 /nfs/dbraw/zinc/21/11/93/646211193.db2.gz WSSSQTGISDXIDH-PBWFPOADSA-N 2 0 233.359 1.455 20 0 BDADRP COC[C@@H](C[N@@H+]1CC[C@@H](C[NH+](C)C)C1)C(C)C ZINC000929637667 646216104 /nfs/dbraw/zinc/21/61/04/646216104.db2.gz MOFNVUCVBUSZMZ-UONOGXRCSA-N 2 0 242.407 1.789 20 0 BDADRP COC[C@@H](C)C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925480397 646293047 /nfs/dbraw/zinc/29/30/47/646293047.db2.gz JZLGNGVJLRKDCG-RNJOBUHISA-N 2 0 240.391 1.635 20 0 BDADRP C[C@H]([NH3+])[C@H](N[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000925488932 646299502 /nfs/dbraw/zinc/29/95/02/646299502.db2.gz WJRCIFVWELWFGT-YUTCNCBUSA-N 2 0 233.359 1.369 20 0 BDADRP Cc1ccc([C@H](O)CN[C@@H]2CC[NH2+]C2(C)C)cc1 ZINC000925489948 646299751 /nfs/dbraw/zinc/29/97/51/646299751.db2.gz BFEMFTILXWIYMB-ZIAGYGMSSA-N 2 0 248.370 1.759 20 0 BDADRP C[N@H+](CCN[C@H]1CC[NH2+]C1(C)C)C1CCCC1 ZINC000925499082 646303919 /nfs/dbraw/zinc/30/39/19/646303919.db2.gz MMEQKHADFZCGEC-ZDUSSCGKSA-N 2 0 239.407 1.591 20 0 BDADRP CC[NH+](CC)CCN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925501493 646304594 /nfs/dbraw/zinc/30/45/94/646304594.db2.gz ICBRBRMEQIWSNA-QWHCGFSZSA-N 2 0 241.423 1.824 20 0 BDADRP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925511465 646308228 /nfs/dbraw/zinc/30/82/28/646308228.db2.gz NNMSRXDEWWTNNQ-GARJFASQSA-N 2 0 214.353 1.124 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925521592 646310920 /nfs/dbraw/zinc/31/09/20/646310920.db2.gz OIGWFDGSQUGTOI-NSHDSACASA-N 3 0 213.369 1.058 20 0 BDADRP CCC1(C[NH2+][C@H]2CC[NH2+]C2(C)C)CCOCC1 ZINC000925527382 646317691 /nfs/dbraw/zinc/31/76/91/646317691.db2.gz NITWXDLKISFRKP-LBPRGKRZSA-N 2 0 240.391 1.923 20 0 BDADRP CC[C@H](CO)[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000929790537 646322651 /nfs/dbraw/zinc/32/26/51/646322651.db2.gz KIUZDOPGOCBZRU-VXGBXAGGSA-N 2 0 214.353 1.031 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H]2CCCOC2)C1 ZINC000925550330 646326365 /nfs/dbraw/zinc/32/63/65/646326365.db2.gz RARCWEWMCZTOLB-IJLUTSLNSA-N 2 0 226.364 1.661 20 0 BDADRP CC[N@H+](CCN[C@@H]1CCC[NH2+][C@H]1C)C(C)C ZINC000925556476 646331776 /nfs/dbraw/zinc/33/17/76/646331776.db2.gz JNQDMHHEOOIOPJ-QWHCGFSZSA-N 2 0 227.396 1.447 20 0 BDADRP CC[N@H+](CCN[C@@H]1C[C@@H]([NH3+])C12CCC2)C(C)C ZINC000925557251 646333346 /nfs/dbraw/zinc/33/33/46/646333346.db2.gz NCCDDPKJHUSWNB-CHWSQXEVSA-N 2 0 239.407 1.576 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000925557796 646333649 /nfs/dbraw/zinc/33/36/49/646333649.db2.gz QOLQXVNGHZRUGS-FPMFFAJLSA-N 2 0 237.391 1.201 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@H]1CC[NH2+]C1(C)C ZINC000925574750 646335185 /nfs/dbraw/zinc/33/51/85/646335185.db2.gz DFAFBZDLSOGOKI-RYUDHWBXSA-N 2 0 227.396 1.447 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000925563110 646335636 /nfs/dbraw/zinc/33/56/36/646335636.db2.gz RMZCQNBRZZBIHG-AGIUHOORSA-N 2 0 237.391 1.343 20 0 BDADRP CC[C@@H](C)[N@H+](C)CCN[C@@H]1CC[NH2+]C1(C)C ZINC000925574751 646335950 /nfs/dbraw/zinc/33/59/50/646335950.db2.gz DFAFBZDLSOGOKI-VXGBXAGGSA-N 2 0 227.396 1.447 20 0 BDADRP CO[C@H](C)CC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925564445 646337735 /nfs/dbraw/zinc/33/77/35/646337735.db2.gz JJBLMZRXVYJVGA-WOPDTQHZSA-N 2 0 228.380 1.907 20 0 BDADRP CCOCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925564079 646338586 /nfs/dbraw/zinc/33/85/86/646338586.db2.gz XJMODRGMZZQBLK-ZIAGYGMSSA-N 2 0 240.391 1.781 20 0 BDADRP CC(C)(CO)C[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000925570405 646339798 /nfs/dbraw/zinc/33/97/98/646339798.db2.gz DZXGKUJIEVAVRV-OLZOCXBDSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@@H](CC(N)=O)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925575165 646342201 /nfs/dbraw/zinc/34/22/01/646342201.db2.gz VEIUFXZYSWZRJI-AAEUAGOBSA-N 2 0 249.358 1.320 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925582395 646346393 /nfs/dbraw/zinc/34/63/93/646346393.db2.gz YIOSTPILURMNAS-STQMWFEESA-N 2 0 240.391 1.802 20 0 BDADRP COC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)C1CC1 ZINC000925587062 646346722 /nfs/dbraw/zinc/34/67/22/646346722.db2.gz MQVIZVYNXOGCCO-AGIUHOORSA-N 2 0 240.391 1.907 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925582393 646347300 /nfs/dbraw/zinc/34/73/00/646347300.db2.gz YIOSTPILURMNAS-QWHCGFSZSA-N 2 0 240.391 1.802 20 0 BDADRP C[N@@H+]1CCC[C@H]2C[NH+](CCOC3CC3)CC[C@H]21 ZINC000929842872 646355564 /nfs/dbraw/zinc/35/55/64/646355564.db2.gz DYPYUUZPRMEATO-GXTWGEPZSA-N 2 0 238.375 1.582 20 0 BDADRP CC1(C)[C@H]([NH2+][C@@H]2CCOC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925620170 646366656 /nfs/dbraw/zinc/36/66/56/646366656.db2.gz ABYIPINVMRIJEY-WISYIIOYSA-N 2 0 224.348 1.142 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)c1cn[nH]c1 ZINC000925625452 646371981 /nfs/dbraw/zinc/37/19/81/646371981.db2.gz HVHDNVNVYTWTHL-ZMLRMANQSA-N 2 0 236.363 1.966 20 0 BDADRP CC(C)OCCCC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925635870 646380709 /nfs/dbraw/zinc/38/07/09/646380709.db2.gz UHCHJGGPMQUDII-LBPRGKRZSA-N 2 0 228.380 1.922 20 0 BDADRP C[C@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1CCCOC1)[NH2+]2 ZINC000925667702 646398347 /nfs/dbraw/zinc/39/83/47/646398347.db2.gz DYCPQVFOXOROTN-JZRPKSSGSA-N 2 0 224.348 1.284 20 0 BDADRP CCC[N@@H+]1CCC[C@H]1CN[C@@H]1CC[NH2+]C1(C)C ZINC000925673205 646403248 /nfs/dbraw/zinc/40/32/48/646403248.db2.gz ZOMPYCIIXLHBDI-QWHCGFSZSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@@H]([NH2+]2)[C@@H]1C)C1CC1 ZINC000925680115 646403525 /nfs/dbraw/zinc/40/35/25/646403525.db2.gz HTXJJOBSCDUJHF-WXDOIIRRSA-N 2 0 208.349 1.904 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CC2=CCOCC2)C1 ZINC000925677889 646406867 /nfs/dbraw/zinc/40/68/67/646406867.db2.gz AJVVDOVXXPVFOP-CHWSQXEVSA-N 2 0 238.375 1.829 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]C[C@H]2CCCO2)C1 ZINC000925681400 646409363 /nfs/dbraw/zinc/40/93/63/646409363.db2.gz YPEBMWJGZCCREE-SDDRHHMPSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1CC1(C)C)[NH2+]2 ZINC000925685279 646410729 /nfs/dbraw/zinc/41/07/29/646410729.db2.gz HFLDCHKWMAUOHK-HGCLJGPKSA-N 2 0 208.349 1.904 20 0 BDADRP COCC[C@H](C)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925685338 646411225 /nfs/dbraw/zinc/41/12/25/646411225.db2.gz IJTFTOKFTXHWNJ-STQMWFEESA-N 2 0 240.391 1.923 20 0 BDADRP C[NH2+]CCCN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925690362 646411868 /nfs/dbraw/zinc/41/18/68/646411868.db2.gz JEOVMVQTQLFPCR-MNOVXSKESA-N 2 0 213.369 1.092 20 0 BDADRP CC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)C(=O)NC ZINC000925686861 646412822 /nfs/dbraw/zinc/41/28/22/646412822.db2.gz YRMQCLRMMOUQRV-VWYCJHECSA-N 2 0 241.379 1.007 20 0 BDADRP [NH3+]C1(CN[C@H]2CC[NH2+]C23CCC3)CCCCC1 ZINC000925688740 646414558 /nfs/dbraw/zinc/41/45/58/646414558.db2.gz DUCGAIPZLHQCGJ-LBPRGKRZSA-N 2 0 237.391 1.522 20 0 BDADRP C[NH2+]CCCN[C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925689208 646415120 /nfs/dbraw/zinc/41/51/20/646415120.db2.gz HLBYFIXGMJZPCV-WCQYABFASA-N 2 0 221.348 1.274 20 0 BDADRP CC(C)[NH2+]CCCN[C@H]1CC[NH2+]C12CCC2 ZINC000925690002 646416509 /nfs/dbraw/zinc/41/65/09/646416509.db2.gz CPCWPJIALKFFBM-LBPRGKRZSA-N 2 0 225.380 1.249 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1NC[C@H]([NH3+])c1ccccc1 ZINC000925691593 646416622 /nfs/dbraw/zinc/41/66/22/646416622.db2.gz ITEOMRZIDPRSIQ-STQMWFEESA-N 2 0 233.359 1.417 20 0 BDADRP C[C@H]([NH3+])[C@H](N[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000925691914 646418296 /nfs/dbraw/zinc/41/82/96/646418296.db2.gz NJUMBLDPBFECGZ-UBHSHLNASA-N 2 0 233.359 1.417 20 0 BDADRP C1CCC2(C1)[NH2+]CC[C@H]2NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925693955 646420574 /nfs/dbraw/zinc/42/05/74/646420574.db2.gz SWHSCNRPAJGMFS-QNMSZWNNSA-N 2 0 249.402 1.534 20 0 BDADRP CC(C)[NH2+]CCCN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925695741 646421210 /nfs/dbraw/zinc/42/12/10/646421210.db2.gz WJZFHJYNZWASFM-RYUDHWBXSA-N 2 0 225.380 1.234 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)[C@H](C)O1 ZINC000925696725 646421413 /nfs/dbraw/zinc/42/14/13/646421413.db2.gz LKECLMSNAGFLQB-YVECIDJPSA-N 2 0 238.375 1.674 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)[C@@H](C)O1 ZINC000925696719 646421507 /nfs/dbraw/zinc/42/15/07/646421507.db2.gz LKECLMSNAGFLQB-LPWJVIDDSA-N 2 0 238.375 1.674 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1CC[NH2+]C12CCCC2 ZINC000925698691 646423271 /nfs/dbraw/zinc/42/32/71/646423271.db2.gz GWNMQWCEQQDODH-AGIUHOORSA-N 2 0 237.391 1.249 20 0 BDADRP CC[NH2+][C@H](C)CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925697906 646423345 /nfs/dbraw/zinc/42/33/45/646423345.db2.gz BLFZCZVSHGRPNY-FVCCEPFGSA-N 2 0 239.407 1.351 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925697711 646423970 /nfs/dbraw/zinc/42/39/70/646423970.db2.gz HORPGSFWEWCIJV-UPJWGTAASA-N 2 0 241.423 2.000 20 0 BDADRP C[C@@H]1NCCC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000925701653 646424486 /nfs/dbraw/zinc/42/44/86/646424486.db2.gz CUDWJEVVEPKNCX-WUHRBBMRSA-N 2 0 225.380 1.057 20 0 BDADRP CC[NH2+][C@H](C)CN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925701430 646424992 /nfs/dbraw/zinc/42/49/92/646424992.db2.gz ZIKUQSNRHFTSID-IJLUTSLNSA-N 2 0 227.396 1.480 20 0 BDADRP C[C@@H]1NCCC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000925701652 646425453 /nfs/dbraw/zinc/42/54/53/646425453.db2.gz CUDWJEVVEPKNCX-RVMXOQNASA-N 2 0 225.380 1.057 20 0 BDADRP C[C@H](COCC1CC1)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925703341 646427244 /nfs/dbraw/zinc/42/72/44/646427244.db2.gz TWKQQWLZSNJJOB-KGYLQXTDSA-N 2 0 238.375 1.661 20 0 BDADRP CC1(C)C[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])C2)C[C@@H]([NH3+])C1 ZINC000925703746 646428340 /nfs/dbraw/zinc/42/83/40/646428340.db2.gz FLNBBROWZLGLOD-RNJOBUHISA-N 3 0 239.407 1.609 20 0 BDADRP C1=C(CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)CC[NH2+]C1 ZINC000925704318 646428798 /nfs/dbraw/zinc/42/87/98/646428798.db2.gz GCMHGSYVYNGEDF-CQSZACIVSA-N 2 0 249.402 1.561 20 0 BDADRP CC[C@H]([NH3+])CN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925704325 646429107 /nfs/dbraw/zinc/42/91/07/646429107.db2.gz GALVUWLBXHJDRB-MJBXVCDLSA-N 2 0 239.407 1.482 20 0 BDADRP CC(C)C[N@H+](C)CCCN[C@H]1CCC[NH2+][C@H]1C ZINC000925709356 646435134 /nfs/dbraw/zinc/43/51/34/646435134.db2.gz IPUSJOQDIYVWIV-KBPBESRZSA-N 2 0 241.423 1.694 20 0 BDADRP Nc1cccc(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925711963 646437128 /nfs/dbraw/zinc/43/71/28/646437128.db2.gz GPGULYHWKJJBMM-QWHCGFSZSA-N 2 0 231.343 1.628 20 0 BDADRP CO[C@@H](C)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925712094 646437436 /nfs/dbraw/zinc/43/74/36/646437436.db2.gz OSFXFJSYYKNPEP-IACUBPJLSA-N 2 0 240.391 1.779 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@@H]1CC[NH2+]C1(C)C ZINC000925718733 646443298 /nfs/dbraw/zinc/44/32/98/646443298.db2.gz ZYRKQEYAKONHEH-GHMZBOCLSA-N 2 0 213.369 1.090 20 0 BDADRP CC(C)(F)C[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2 ZINC000925724783 646449704 /nfs/dbraw/zinc/44/97/04/646449704.db2.gz MVDGECOHTKBRIF-FAUIJHMISA-N 2 0 230.327 1.076 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@H]2C[C@H](O)C2)C1 ZINC000925730137 646453216 /nfs/dbraw/zinc/45/32/16/646453216.db2.gz NQSPMOWKJHMOLR-DDHJBXDOSA-N 2 0 226.364 1.253 20 0 BDADRP CC[C@H](NCCC(C)(C)[NH3+])[C@H]1CCCC[NH2+]1 ZINC000925738475 646461017 /nfs/dbraw/zinc/46/10/17/646461017.db2.gz VTKZXWGJCKCDHF-NWDGAFQWSA-N 2 0 227.396 1.624 20 0 BDADRP C[C@H]([NH2+]CCC(C)(C)[NH3+])C(C)(C)n1cncn1 ZINC000925739313 646462494 /nfs/dbraw/zinc/46/24/94/646462494.db2.gz VUQHLGKTKUGLEJ-JTQLQIEISA-N 2 0 239.367 1.119 20 0 BDADRP CC(C)([NH3+])CC[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000925742507 646464116 /nfs/dbraw/zinc/46/41/16/646464116.db2.gz UXVQYZCRYMPXHO-UTUOFQBUSA-N 2 0 240.391 1.907 20 0 BDADRP CCC1([NH3+])CCN([C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000925761524 646466522 /nfs/dbraw/zinc/46/65/22/646466522.db2.gz WMDIWJXLUSWGHH-VXGBXAGGSA-N 2 0 225.380 1.330 20 0 BDADRP CCC1([NH3+])CCN([C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000925760170 646466556 /nfs/dbraw/zinc/46/65/56/646466556.db2.gz LBEFYQAYLUGXFB-VXGBXAGGSA-N 2 0 225.380 1.188 20 0 BDADRP CCC1([NH3+])CCN([C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000925760664 646467184 /nfs/dbraw/zinc/46/71/84/646467184.db2.gz OAXGRHYDWIVNFS-QWHCGFSZSA-N 2 0 239.407 1.850 20 0 BDADRP Cc1cc(N[C@H](C)C[C@H]2COCC[NH2+]2)cnc1C ZINC000925767656 646468770 /nfs/dbraw/zinc/46/87/70/646468770.db2.gz GKMZUXBGNJKEPC-RISCZKNCSA-N 2 0 249.358 1.877 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C ZINC000925773807 646473286 /nfs/dbraw/zinc/47/32/86/646473286.db2.gz PLASMWVQCPIWBF-JIQZXMICSA-N 2 0 210.365 1.994 20 0 BDADRP CC1(C)CO[C@H](CC[NH2+][C@@H]2CCC[C@H]2[NH3+])C1 ZINC000925773611 646473552 /nfs/dbraw/zinc/47/35/52/646473552.db2.gz FDBVSHSTNFIABL-IJLUTSLNSA-N 2 0 226.364 1.661 20 0 BDADRP CC1(C)CO[C@@H](CC[NH2+][C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925773695 646473671 /nfs/dbraw/zinc/47/36/71/646473671.db2.gz FOZVVTHOAORUBI-NWDGAFQWSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925783507 646478816 /nfs/dbraw/zinc/47/88/16/646478816.db2.gz CXWPHBIWQJXSCT-YVECIDJPSA-N 3 0 239.407 1.338 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[NH2+]CCC2(F)F)CCO1 ZINC000925782490 646479329 /nfs/dbraw/zinc/47/93/29/646479329.db2.gz LWJMRPGEUMFRNK-MXWKQRLJSA-N 2 0 248.317 1.388 20 0 BDADRP Cc1nc(C)c(CN2CC[N@@H+](C)[C@H](C)[C@H]2C)[nH]1 ZINC000930177979 646480178 /nfs/dbraw/zinc/48/01/78/646480178.db2.gz RLHFSFMOWPEASP-GHMZBOCLSA-N 2 0 236.363 1.551 20 0 BDADRP COC[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)C(C)C ZINC000925798662 646486901 /nfs/dbraw/zinc/48/69/01/646486901.db2.gz MEVNLDAGSXOUKU-JHJVBQTASA-N 2 0 228.380 1.493 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccccn1 ZINC000925800872 646487078 /nfs/dbraw/zinc/48/70/78/646487078.db2.gz ZTGGQDSGJVLSIT-FRRDWIJNSA-N 2 0 233.359 1.978 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cnn(C)c1 ZINC000925798452 646487383 /nfs/dbraw/zinc/48/73/83/646487383.db2.gz KRKMWWOAIMRYCQ-GRYCIOLGSA-N 2 0 236.363 1.316 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925797727 646487441 /nfs/dbraw/zinc/48/74/41/646487441.db2.gz VLFWQGMWNOJRAW-FVCCEPFGSA-N 3 0 237.391 1.092 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000925802769 646488399 /nfs/dbraw/zinc/48/83/99/646488399.db2.gz RANKEYSKYDNOEA-MROQNXINSA-N 2 0 208.349 1.892 20 0 BDADRP Cc1cc([C@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)no1 ZINC000925803626 646488591 /nfs/dbraw/zinc/48/85/91/646488591.db2.gz SDXYMVOAIRPTOK-ADEWGFFLSA-N 2 0 237.347 1.879 20 0 BDADRP C[C@H]([NH2+]Cc1ccc2c(c1)ncn2C)C1C[NH2+]C1 ZINC000925811710 646490677 /nfs/dbraw/zinc/49/06/77/646490677.db2.gz JOXQPYOVPBIJIV-JTQLQIEISA-N 2 0 244.342 1.271 20 0 BDADRP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1cccnc1 ZINC000925814093 646491700 /nfs/dbraw/zinc/49/17/00/646491700.db2.gz FQLRGCRCFAZDRU-GFCCVEGCSA-N 2 0 248.374 1.155 20 0 BDADRP C[C@@H]([NH2+][C@@H]1C[C@H]1[C@@H]1C[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000925823494 646496152 /nfs/dbraw/zinc/49/61/52/646496152.db2.gz OBKKQNFMHFRIFB-HTXLXMOSSA-N 2 0 208.349 1.619 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000925830994 646500941 /nfs/dbraw/zinc/50/09/41/646500941.db2.gz HVGRZQHGJGYJQQ-KDXUFGMBSA-N 2 0 222.254 1.654 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)C1 ZINC000925832201 646501556 /nfs/dbraw/zinc/50/15/56/646501556.db2.gz RHLJOSNBAREITP-ZSLBOAEBSA-N 2 0 236.359 1.437 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925840585 646506313 /nfs/dbraw/zinc/50/63/13/646506313.db2.gz MUCAXMIHBVISLO-YVECIDJPSA-N 2 0 225.380 1.234 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000925853799 646511618 /nfs/dbraw/zinc/51/16/18/646511618.db2.gz BREBCEJNXPGXNR-AXFHLTTASA-N 2 0 202.342 1.253 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000925859501 646512132 /nfs/dbraw/zinc/51/21/32/646512132.db2.gz RMQIMSYRXWIPIL-UTUOFQBUSA-N 2 0 214.353 1.125 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000925860111 646513346 /nfs/dbraw/zinc/51/33/46/646513346.db2.gz VEHHFVHRWXJGQF-RQJABVFESA-N 2 0 240.391 1.515 20 0 BDADRP COC[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)C(C)C ZINC000925874218 646523681 /nfs/dbraw/zinc/52/36/81/646523681.db2.gz PPZANSLQZOZGNQ-MELADBBJSA-N 2 0 242.407 1.883 20 0 BDADRP COC[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)C(C)C ZINC000925874217 646524830 /nfs/dbraw/zinc/52/48/30/646524830.db2.gz PPZANSLQZOZGNQ-IHRRRGAJSA-N 2 0 242.407 1.883 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cnn(C)c1 ZINC000925875648 646525430 /nfs/dbraw/zinc/52/54/30/646525430.db2.gz KNXKZGRLMYPHMV-WXHSDQCUSA-N 2 0 236.363 1.588 20 0 BDADRP CC[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1nccn1C ZINC000925881746 646531680 /nfs/dbraw/zinc/53/16/80/646531680.db2.gz FNKYBVQJWXLTOW-GRYCIOLGSA-N 2 0 236.363 1.588 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000925883921 646532927 /nfs/dbraw/zinc/53/29/27/646532927.db2.gz YXSOQYNTUHPGEQ-WYUUTHIRSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000925893118 646535759 /nfs/dbraw/zinc/53/57/59/646535759.db2.gz LHTUHWOMLSIKRZ-SRVKXCTJSA-N 2 0 226.364 1.804 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC1(O)CCC1 ZINC000926378286 646630053 /nfs/dbraw/zinc/63/00/53/646630053.db2.gz HYVKQOLVOKCOOC-FUNVUKJBSA-N 2 0 238.375 1.221 20 0 BDADRP C[C@H]1COC[C@@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000926487999 646659078 /nfs/dbraw/zinc/65/90/78/646659078.db2.gz QZPUOHIRFAKGIS-KBPBESRZSA-N 2 0 240.391 1.877 20 0 BDADRP Cc1cc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)no1 ZINC000723881918 711543078 /nfs/dbraw/zinc/54/30/78/711543078.db2.gz DOCAKMNQWICDLL-MWLCHTKSSA-N 2 0 223.320 1.400 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ncc[nH]1 ZINC000724088428 711560160 /nfs/dbraw/zinc/56/01/60/711560160.db2.gz MXSXGOBWNURDTD-IVZWLZJFSA-N 2 0 208.309 1.188 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000925830977 711759612 /nfs/dbraw/zinc/75/96/12/711759612.db2.gz HMUYAQIOYKEIDQ-XSPKLOCKSA-N 2 0 224.270 1.900 20 0 BDADRP CC(C)(C)[C@@H]([NH3+])CC(=O)NC1CCC([NH3+])CC1 ZINC000136942985 711762972 /nfs/dbraw/zinc/76/29/72/711762972.db2.gz XPLAKMLQPVQFGP-ILDUYXDCSA-N 2 0 241.379 1.136 20 0 BDADRP COC[C@@H](C[NH2+]CC1CC[NH+](C)CC1)C(C)C ZINC000721885901 711811440 /nfs/dbraw/zinc/81/14/40/711811440.db2.gz ZTBAABUHFPFYFM-CQSZACIVSA-N 2 0 242.407 1.836 20 0 BDADRP C[C@@H]1SCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H]1C ZINC000132493108 711960037 /nfs/dbraw/zinc/96/00/37/711960037.db2.gz VDWSSWFMUQSKJH-YFKTTZPYSA-N 2 0 228.405 1.940 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@]1(C)CC1(C)C ZINC000701988599 712034853 /nfs/dbraw/zinc/03/48/53/712034853.db2.gz UTXFEZRVFORSEF-DGCLKSJQSA-N 2 0 228.380 1.766 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CC[C@H]1CCSC1 ZINC000704810561 712118207 /nfs/dbraw/zinc/11/82/07/712118207.db2.gz BIWJXVGQGQDPOC-RYUDHWBXSA-N 2 0 246.420 1.473 20 0 BDADRP C[C@H]1CC[C@H](C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)O1 ZINC000708187120 712183878 /nfs/dbraw/zinc/18/38/78/712183878.db2.gz RAUAFXILIJPDJH-WRWGMCAJSA-N 2 0 212.337 1.081 20 0 BDADRP CC1(C)CO[C@@H](C[NH+]2CCC(C[NH3+])CC2)C1 ZINC000708331507 712187569 /nfs/dbraw/zinc/18/75/69/712187569.db2.gz NJBZHTKTCTYWOC-GFCCVEGCSA-N 2 0 226.364 1.472 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H](O)CC2CCCC2)C[C@H]1C[NH3+] ZINC000708827628 712199902 /nfs/dbraw/zinc/19/99/02/712199902.db2.gz YEZSYQQOWMHHOP-MRVWCRGKSA-N 2 0 240.391 1.454 20 0 BDADRP CCCCCC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710663983 712265590 /nfs/dbraw/zinc/26/55/90/712265590.db2.gz IDEFWHPQSHYAGC-UHFFFAOYSA-N 2 0 242.407 1.955 20 0 BDADRP FC[C@@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000711440769 712300757 /nfs/dbraw/zinc/30/07/57/712300757.db2.gz FSIJNIIUDSPBIY-NEPJUHHUSA-N 2 0 214.328 1.668 20 0 BDADRP FC[C@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000711458896 712304824 /nfs/dbraw/zinc/30/48/24/712304824.db2.gz ZCXNYRURRNJNFQ-GFCCVEGCSA-N 2 0 214.328 1.668 20 0 BDADRP C[C@]1(C[N@@H+]2CC[C@H](CF)C2)CC[NH2+]C1 ZINC000711519706 712308664 /nfs/dbraw/zinc/30/86/64/712308664.db2.gz NAEZQEBNVKTJPY-MNOVXSKESA-N 2 0 200.301 1.277 20 0 BDADRP C1=CO[C@H](CN2C[C@@H]3CCC[NH2+][C@@H]3C2)CC1 ZINC000378728178 712358814 /nfs/dbraw/zinc/35/88/14/712358814.db2.gz VHSXVVVOWZQZPM-RWMBFGLXSA-N 2 0 222.332 1.363 20 0 BDADRP CCN1CC[C@@H]1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000712557925 712445333 /nfs/dbraw/zinc/44/53/33/712445333.db2.gz OWGAEQBBDADNTN-FRRDWIJNSA-N 2 0 225.380 1.153 20 0 BDADRP C[NH2+][C@H]1CCN(CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000712693522 712448136 /nfs/dbraw/zinc/44/81/36/712448136.db2.gz LVUNVCFSUPBUMF-AGIUHOORSA-N 2 0 208.349 1.716 20 0 BDADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC[C@@H](C)[NH+](C)C ZINC000713010685 712451037 /nfs/dbraw/zinc/45/10/37/712451037.db2.gz WBTBFJHYXBNLIR-GHMZBOCLSA-N 2 0 243.395 1.062 20 0 BDADRP C=C/C=C/CC[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000713759802 712472056 /nfs/dbraw/zinc/47/20/56/712472056.db2.gz TZBKZDHTVLDSJB-PCAWENJQSA-N 2 0 210.321 1.168 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCOC1CC1 ZINC000714972382 712502738 /nfs/dbraw/zinc/50/27/38/712502738.db2.gz KSFGOQHIQYPOIP-LLVKDONJSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H]1NCCC[C@@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715560384 712528153 /nfs/dbraw/zinc/52/81/53/712528153.db2.gz BLKSOUDDHNYKOP-RYSNWHEDSA-N 2 0 239.407 1.589 20 0 BDADRP CC[C@@H](C[C@H](C)O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000716841472 712578065 /nfs/dbraw/zinc/57/80/65/712578065.db2.gz DZSKUICJAMFLSU-WSOGJNRSSA-N 2 0 240.391 1.751 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)C1CC1 ZINC000717340852 712649607 /nfs/dbraw/zinc/64/96/07/712649607.db2.gz VDWQHICYTOEOAU-SCZZXKLOSA-N 2 0 218.291 1.619 20 0 BDADRP CC(C)[NH+]1CCC(N(C)C(=O)C[C@@H](C)[NH3+])CC1 ZINC000037804637 712761588 /nfs/dbraw/zinc/76/15/88/712761588.db2.gz AYDFDYMEOKMJQU-LLVKDONJSA-N 2 0 241.379 1.055 20 0 BDADRP Cc1[nH+]ccc(N[C@@H]2CC[N@H+](C)[C@@H]2C)c1Cl ZINC000719569207 712809733 /nfs/dbraw/zinc/80/97/33/712809733.db2.gz HQHNCXFHXVLFCG-NXEZZACHSA-N 2 0 239.750 1.970 20 0 BDADRP C[C@H]1CC[N@H+](CCCCCC[NH3+])CCO1 ZINC000719782577 712824619 /nfs/dbraw/zinc/82/46/19/712824619.db2.gz PAGOMVZCANLGHD-LBPRGKRZSA-N 2 0 214.353 1.616 20 0 BDADRP [NH3+]C[C@H]1CCC[N@H+](CCc2ccns2)C1 ZINC000719834016 712824185 /nfs/dbraw/zinc/82/41/85/712824185.db2.gz USRACWCHAILNRU-SNVBAGLBSA-N 2 0 225.361 1.356 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)C1 ZINC000721909218 710689364 /nfs/dbraw/zinc/68/93/64/710689364.db2.gz RBSSESJGOITJGP-ZDEQEGDKSA-N 2 0 226.364 1.471 20 0 BDADRP C[C@@H](CC[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000724234207 710738383 /nfs/dbraw/zinc/73/83/83/710738383.db2.gz VTNFMTNMFMPIKP-WUHRBBMRSA-N 2 0 228.380 1.872 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCC[C@@]2(C)CO)CC1 ZINC000723039426 710723586 /nfs/dbraw/zinc/72/35/86/710723586.db2.gz RDRGDBMZKQSAIV-ZDUSSCGKSA-N 2 0 226.364 1.175 20 0 BDADRP COc1ccc(C[NH2+]C2CC([NH3+])C2)cc1OC ZINC000133144169 710967823 /nfs/dbraw/zinc/96/78/23/710967823.db2.gz HNUZTOBQNZYQOK-UHFFFAOYSA-N 2 0 236.315 1.283 20 0 BDADRP C[NH2+]C[C@@H]1CCCN(CCC[NH2+]C2CC2)C1 ZINC000382586348 710973167 /nfs/dbraw/zinc/97/31/67/710973167.db2.gz TVPZTGDJHKIRGW-LBPRGKRZSA-N 2 0 225.380 1.060 20 0 BDADRP COC(=O)[C@@H](C)C[N@H+](C)CCCCCC[NH3+] ZINC000385296498 711010481 /nfs/dbraw/zinc/01/04/81/711010481.db2.gz DJXWFSWBHDDEHP-NSHDSACASA-N 2 0 230.352 1.246 20 0 BDADRP CC[N@H+](CCN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C1CC1 ZINC000385543576 711014733 /nfs/dbraw/zinc/01/47/33/711014733.db2.gz VAZNFVRNXOFVNV-XSXPHNMFSA-N 2 0 249.402 1.057 20 0 BDADRP CO[C@@H]([C@@H](C)[NH2+]CC1CC[NH+](C)CC1)C1CC1 ZINC000388206716 711053594 /nfs/dbraw/zinc/05/35/94/711053594.db2.gz DKXFCCZDQUKKMN-RISCZKNCSA-N 2 0 240.391 1.731 20 0 BDADRP C[NH+](C)CCCC[NH2+]Cc1cc[nH]c(=O)c1 ZINC000390357671 711113748 /nfs/dbraw/zinc/11/37/48/711113748.db2.gz NJLXPBRKTCPAMB-UHFFFAOYSA-N 2 0 223.320 1.219 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH2+]C2CC(C(F)F)C2)C1 ZINC000390433685 711115957 /nfs/dbraw/zinc/11/59/57/711115957.db2.gz QWVUQPAANYQDMN-KPPDAEKUSA-N 2 0 232.318 1.962 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](CCOCc2ccccc2)C1 ZINC000390702256 711131929 /nfs/dbraw/zinc/13/19/29/711131929.db2.gz AEUVDMSMCXTEEX-HNNXBMFYSA-N 2 0 248.370 1.874 20 0 BDADRP C(CC1CC1)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000394504537 711193249 /nfs/dbraw/zinc/19/32/49/711193249.db2.gz UAZLSXCWYSZRJM-ZDUSSCGKSA-N 2 0 208.349 1.862 20 0 BDADRP CC[C@]1([NH2+]CC2CC[NH+](C)CC2)CCOC1 ZINC000393469741 711160522 /nfs/dbraw/zinc/16/05/22/711160522.db2.gz PHFWAJNDUHTYAE-ZDUSSCGKSA-N 2 0 226.364 1.487 20 0 BDADRP Cc1cc(C)n(CC[N@@H+]2CCC[C@H](C[NH3+])C2)n1 ZINC000395342083 711208861 /nfs/dbraw/zinc/20/88/61/711208861.db2.gz YOKCYTOXNYDYQO-CYBMUJFWSA-N 2 0 236.363 1.171 20 0 BDADRP CC[N@H+](CCN[C@H]1CCC[NH2+][C@H]1C)C1CC1 ZINC000396581833 711357334 /nfs/dbraw/zinc/35/73/34/711357334.db2.gz FQTWMVDNJJIFJR-AAEUAGOBSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@H]1COCC[N@H+](CCCCCCC[NH3+])C1 ZINC000399187067 711424201 /nfs/dbraw/zinc/42/42/01/711424201.db2.gz UHQVUUKRWYWXKA-CYBMUJFWSA-N 2 0 228.380 1.864 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000399283272 711425922 /nfs/dbraw/zinc/42/59/22/711425922.db2.gz ZEFAHIMPQFLIQW-IUCAKERBSA-N 2 0 237.174 1.851 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccnc3N)C[C@@H]2C1 ZINC000381465273 710640334 /nfs/dbraw/zinc/64/03/34/710640334.db2.gz XTDYECSGTDVGHE-YPMHNXCESA-N 2 0 246.358 1.047 20 0 BDADRP CC[C@@H]1C[C@H]1C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000723102825 710725909 /nfs/dbraw/zinc/72/59/09/710725909.db2.gz NHVOPMQJZQCQSQ-WOPDTQHZSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000396686230 711364648 /nfs/dbraw/zinc/36/46/48/711364648.db2.gz YHCAMVUJHRIQTE-APYLGABCSA-N 2 0 237.391 1.342 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CS1 ZINC000397891455 711394763 /nfs/dbraw/zinc/39/47/63/711394763.db2.gz PUSTYHOXXAHCQG-AAOYHXPRSA-N 2 0 238.400 1.466 20 0 BDADRP C(C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)OC1CC1 ZINC000711757048 711466187 /nfs/dbraw/zinc/46/61/87/711466187.db2.gz AHFPJZLWOWSTOG-CQSZACIVSA-N 2 0 238.375 1.629 20 0 BDADRP OCc1c[nH+]ccc1N1CC[NH+](C2CCC2)CC1 ZINC000386253971 711500919 /nfs/dbraw/zinc/50/09/19/711500919.db2.gz TVQBJTAAXNFODA-UHFFFAOYSA-N 2 0 247.342 1.248 20 0 BDADRP CC[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000723081308 711501259 /nfs/dbraw/zinc/50/12/59/711501259.db2.gz UKYVGYWZJSBNBK-XQQFMLRXSA-N 2 0 210.365 1.964 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](CCOc2ccccc2)C1 ZINC000235707194 711524450 /nfs/dbraw/zinc/52/44/50/711524450.db2.gz MPCMFMYHALLRBU-CQSZACIVSA-N 2 0 234.343 1.736 20 0 BDADRP Cc1nc(C)c(C[N@@H+](C)C2CCC([NH3+])CC2)o1 ZINC000723632518 711527736 /nfs/dbraw/zinc/52/77/36/711527736.db2.gz FUUGIFNHONXVIF-UHFFFAOYSA-N 2 0 237.347 1.993 20 0 BDADRP Cc1nc(C)c(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)o1 ZINC000723655529 711531776 /nfs/dbraw/zinc/53/17/76/711531776.db2.gz PRUQDAHTFOVVRC-BXKDBHETSA-N 2 0 237.347 1.708 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](Cc2cccnc2Cl)C1 ZINC000723712119 711536042 /nfs/dbraw/zinc/53/60/42/711536042.db2.gz MZDQRWNCLZQZNC-JTQLQIEISA-N 2 0 239.750 1.906 20 0 BDADRP COCC(C)(C)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723893502 711544094 /nfs/dbraw/zinc/54/40/94/711544094.db2.gz AAXSLSDJEJCXIJ-VXGBXAGGSA-N 2 0 228.380 1.576 20 0 BDADRP C[C@@H]1C[N@H+](CC2CC=CC2)C[C@H]1CC[NH3+] ZINC000723892294 711544307 /nfs/dbraw/zinc/54/43/07/711544307.db2.gz QZTWRDCQKKFZCE-DGCLKSJQSA-N 2 0 208.349 1.869 20 0 BDADRP C[C@@H]1C[N@H+](CCOC2CC2)C[C@H]1CC[NH3+] ZINC000723908861 711544760 /nfs/dbraw/zinc/54/47/60/711544760.db2.gz UNRZUAAIJOMDAP-GHMZBOCLSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@@H]1C[N@H+](Cc2nccn2C2CC2)C[C@H]1CC[NH3+] ZINC000723916344 711544820 /nfs/dbraw/zinc/54/48/20/711544820.db2.gz UNUYJAHYSZFGRO-VXGBXAGGSA-N 2 0 248.374 1.635 20 0 BDADRP C[NH+](C)CCC[NH2+][C@H](C1CC1)[C@H]1CCCOC1 ZINC000723970761 711550010 /nfs/dbraw/zinc/55/00/10/711550010.db2.gz IJVOIZCYMBNVGC-UONOGXRCSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ncc[nH]1 ZINC000724088429 711560235 /nfs/dbraw/zinc/56/02/35/711560235.db2.gz MXSXGOBWNURDTD-LPEHRKFASA-N 2 0 208.309 1.188 20 0 BDADRP CCC1(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000382221197 711614447 /nfs/dbraw/zinc/61/44/47/711614447.db2.gz NDTGTSVVDSHNAF-OBPIAQAESA-N 2 0 220.360 1.763 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1ccoc1 ZINC000925712527 711711861 /nfs/dbraw/zinc/71/18/61/711711861.db2.gz XQKAUAMHEOLTJG-VTXSZYRJSA-N 2 0 234.343 1.928 20 0 BDADRP CC1(C[NH2+][C@H]2CCCc3n[nH]cc32)CC[NH2+]CC1 ZINC000335025000 711720045 /nfs/dbraw/zinc/72/00/45/711720045.db2.gz PXHUOBRJRYENPF-LBPRGKRZSA-N 2 0 248.374 1.766 20 0 BDADRP Cc1nc(C)c(C[NH+]2CCC3(CC[NH2+]C3)CC2)o1 ZINC000257680388 711726194 /nfs/dbraw/zinc/72/61/94/711726194.db2.gz KXKVNRRNXHHUCZ-UHFFFAOYSA-N 2 0 249.358 1.867 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000925787336 711751177 /nfs/dbraw/zinc/75/11/77/711751177.db2.gz YNPUBBPXXBXCHA-ZOBORPQBSA-N 2 0 237.391 1.058 20 0 BDADRP CCOCCOCC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000925875558 711761658 /nfs/dbraw/zinc/76/16/58/711761658.db2.gz UNXVYZQFBFTMMQ-OLZOCXBDSA-N 2 0 244.379 1.289 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@]12C[C@H]1CCC2 ZINC000925880295 711761995 /nfs/dbraw/zinc/76/19/95/711761995.db2.gz IOYXQFFSYAOFDU-VJTDZRGJSA-N 2 0 238.375 1.519 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@H]1CCC[NH2+][C@H]1C ZINC000396602265 711788265 /nfs/dbraw/zinc/78/82/65/711788265.db2.gz HKOZRQJFUHOCKH-AVGNSLFASA-N 2 0 227.396 1.447 20 0 BDADRP CC(C)(O)CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401060938 711793352 /nfs/dbraw/zinc/79/33/52/711793352.db2.gz JKSONVGBCJSMJM-GRYCIOLGSA-N 2 0 226.364 1.125 20 0 BDADRP CSC(C)(C)C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000229085112 711837493 /nfs/dbraw/zinc/83/74/93/711837493.db2.gz FCWOXVWPHBUIIZ-ZJUUUORDSA-N 2 0 216.394 1.845 20 0 BDADRP C([NH2+][C@@H]1CCCSC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000061588238 711839060 /nfs/dbraw/zinc/83/90/60/711839060.db2.gz BQIMJNZPEDGVED-VXGBXAGGSA-N 2 0 240.416 1.956 20 0 BDADRP CC(C)N1CC[NH+](C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000232637263 711841054 /nfs/dbraw/zinc/84/10/54/711841054.db2.gz VMUKIPZQTZOJRD-KBPBESRZSA-N 2 0 239.407 1.401 20 0 BDADRP COC[C@H](C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1)C(C)C ZINC000721910914 711917360 /nfs/dbraw/zinc/91/73/60/711917360.db2.gz GPFONMATMDQTCT-AGIUHOORSA-N 2 0 228.380 1.574 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)C1 ZINC000721959053 711947947 /nfs/dbraw/zinc/94/79/47/711947947.db2.gz DVWSGUXTMKOSGO-BJJPWKGXSA-N 2 0 240.391 1.717 20 0 BDADRP CO[C@H]1C[C@@H](C[N@H+](C)CCCCCC[NH3+])C1 ZINC000721958260 711948025 /nfs/dbraw/zinc/94/80/25/711948025.db2.gz WVHGGKOWOLWNKL-BETUJISGSA-N 2 0 228.380 1.862 20 0 BDADRP C[C@@H](CC[NH2+][C@H]1C[C@@H](C)O[C@H]1C)[NH+](C)C ZINC000700468963 711993442 /nfs/dbraw/zinc/99/34/42/711993442.db2.gz IUQJKAFLXGQRMC-USZNOCQGSA-N 2 0 214.353 1.482 20 0 BDADRP c1cncc(CCC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000929311367 711975135 /nfs/dbraw/zinc/97/51/35/711975135.db2.gz CFRGRFCYNABADN-ZIAGYGMSSA-N 2 0 231.343 1.165 20 0 BDADRP CC[C@@H]1C[C@H]1C[NH2+]CC1CC[NH+](C)CC1 ZINC000387742592 711977197 /nfs/dbraw/zinc/97/71/97/711977197.db2.gz WKVVVNZBQSGTGC-OLZOCXBDSA-N 2 0 210.365 1.964 20 0 BDADRP C[N@H+](C[C@H]1CCCCO1)C[C@H]1CCCC[NH2+]C1 ZINC000700382838 711991625 /nfs/dbraw/zinc/99/16/25/711991625.db2.gz GIZSLBQXQAWAJM-UONOGXRCSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@H]1CC[N@H+](CC2CC[NH+](C)CC2)C[C@@H]1CO ZINC000700402176 711991924 /nfs/dbraw/zinc/99/19/24/711991924.db2.gz ZCWDKRMJIICULP-GXTWGEPZSA-N 2 0 240.391 1.279 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@]1(C)CC1(C)C ZINC000701988597 712034969 /nfs/dbraw/zinc/03/49/69/712034969.db2.gz UTXFEZRVFORSEF-AAEUAGOBSA-N 2 0 228.380 1.766 20 0 BDADRP CCCCOCC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702066245 712037153 /nfs/dbraw/zinc/03/71/53/712037153.db2.gz USOHTPVNUPAVBW-QWHCGFSZSA-N 2 0 226.364 1.344 20 0 BDADRP CC1(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)CCC1 ZINC000702111406 712039020 /nfs/dbraw/zinc/03/90/20/712039020.db2.gz RRVRZTIDQAXUCT-WCQYABFASA-N 2 0 208.349 1.718 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+](C)CCCF)CC[NH2+]1 ZINC000703161285 712066830 /nfs/dbraw/zinc/06/68/30/712066830.db2.gz AJTFIUYKWMEGCW-GHMZBOCLSA-N 2 0 202.317 1.666 20 0 BDADRP COC1CC(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000703297160 712071221 /nfs/dbraw/zinc/07/12/21/712071221.db2.gz DGECNCJRGPPJRW-HPCMXSDISA-N 2 0 238.375 1.626 20 0 BDADRP C[C@@H](Cc1ccccn1)[NH2+]CCC[NH+](C)C ZINC000703310583 712071868 /nfs/dbraw/zinc/07/18/68/712071868.db2.gz CPHMUDADHOATSK-LBPRGKRZSA-N 2 0 221.348 1.554 20 0 BDADRP CSC1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000703487965 712076486 /nfs/dbraw/zinc/07/64/86/712076486.db2.gz PZTVSLAMYIWQJL-AOOOYVTPSA-N 2 0 214.378 1.551 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H](CC)CO1 ZINC000703616589 712081517 /nfs/dbraw/zinc/08/15/17/712081517.db2.gz OIOSHUSQJGFCMG-YVECIDJPSA-N 2 0 226.364 1.613 20 0 BDADRP C[C@@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)CO1 ZINC000703816750 712089053 /nfs/dbraw/zinc/08/90/53/712089053.db2.gz NDNJRTUNWIJRLE-PJIALRRASA-N 2 0 238.375 1.626 20 0 BDADRP CC[C@H]1C[N@H+](CC2CC(OC)C2)CC[C@@H]1[NH3+] ZINC000703909242 712094456 /nfs/dbraw/zinc/09/44/56/712094456.db2.gz YLSAMDBBCMMBOZ-MVKMKZAISA-N 2 0 226.364 1.471 20 0 BDADRP CCC(F)(F)CN1CC[C@H](CC[NH3+])C1 ZINC000704724657 712113824 /nfs/dbraw/zinc/11/38/24/712113824.db2.gz UTHSXQJWHUTXKQ-VIFPVBQESA-N 2 0 206.280 1.702 20 0 BDADRP Cc1cc(N(C)C[C@@H]2CCC[N@H+](C)C2)nc(N)[nH+]1 ZINC000705151831 712123489 /nfs/dbraw/zinc/12/34/89/712123489.db2.gz NIIWDBQCHJKFMR-LLVKDONJSA-N 2 0 249.362 1.145 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ncccn1 ZINC000705288400 712127534 /nfs/dbraw/zinc/12/75/34/712127534.db2.gz HKSSUMMTOQBFAS-JTQLQIEISA-N 2 0 208.309 1.084 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC000708333194 712188497 /nfs/dbraw/zinc/18/84/97/712188497.db2.gz UTOVGSAJNCNORB-NWDGAFQWSA-N 2 0 226.364 1.343 20 0 BDADRP C[C@@H]1CN(C[C@H]2CC(C)(C)CO2)C[C@H]1[NH3+] ZINC000708341350 712189372 /nfs/dbraw/zinc/18/93/72/712189372.db2.gz RWNABHMWWQEAOI-GMTAPVOTSA-N 2 0 212.337 1.081 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CCN(C3CC3)C1)[NH2+]2 ZINC000709487733 712222802 /nfs/dbraw/zinc/22/28/02/712222802.db2.gz BRFSBNGTNKGYDP-NUNXZZDCSA-N 2 0 249.402 1.342 20 0 BDADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@H]1CCCCO1)C2 ZINC000709826050 712228620 /nfs/dbraw/zinc/22/86/20/712228620.db2.gz KCMINBIOHQMMOV-ZDEQEGDKSA-N 2 0 224.348 1.367 20 0 BDADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC[C@@H]1CCCCO1)C2 ZINC000709864935 712229759 /nfs/dbraw/zinc/22/97/59/712229759.db2.gz VOHMIJPUXUENHU-XUXIUFHCSA-N 2 0 238.375 1.757 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2O)C12CCC2 ZINC000710727729 712255205 /nfs/dbraw/zinc/25/52/05/712255205.db2.gz OYFNWXMBSCAGOF-DDHJBXDOSA-N 2 0 224.348 1.149 20 0 BDADRP C[NH+](C)CCOCC[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000710903375 712261953 /nfs/dbraw/zinc/26/19/53/712261953.db2.gz XKLXJFQRAGMRHD-WDNDVIMCSA-N 2 0 240.391 1.733 20 0 BDADRP CCSCC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710649896 712265152 /nfs/dbraw/zinc/26/51/52/712265152.db2.gz REPSVVCQOJEACN-UHFFFAOYSA-N 2 0 246.420 1.128 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]C[C@H]1CCC(C)(C)CO1 ZINC000711251114 712290519 /nfs/dbraw/zinc/29/05/19/712290519.db2.gz PRMLBXQXDRAWIM-IJLUTSLNSA-N 2 0 240.391 1.907 20 0 BDADRP COC[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)C1CC1 ZINC000711285808 712292475 /nfs/dbraw/zinc/29/24/75/712292475.db2.gz IIZLWZOSKIRRQW-BFHYXJOUSA-N 2 0 238.375 1.533 20 0 BDADRP CC1(C)CC[C@H](C[NH2+][C@H]2CCC[C@H]2C[NH3+])OC1 ZINC000711390772 712297283 /nfs/dbraw/zinc/29/72/83/712297283.db2.gz NXUGBDOJDTWEPU-XQQFMLRXSA-N 2 0 240.391 1.909 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](Cc2ccc3c(c2)COC3)C1 ZINC000923479706 712334230 /nfs/dbraw/zinc/33/42/30/712334230.db2.gz BKGVCRMTESTPLG-LBPRGKRZSA-N 2 0 246.354 1.888 20 0 BDADRP C[N@@H+]1CCN(c2cc[nH+]c(CO)c2)CCC1(C)C ZINC000712632615 712438977 /nfs/dbraw/zinc/43/89/77/712438977.db2.gz NGVOXZAAQMYTQP-UHFFFAOYSA-N 2 0 249.358 1.494 20 0 BDADRP C[N@@H+]1CCN(c2cc[nH+]cc2CO)CCC1(C)C ZINC000712632224 712439278 /nfs/dbraw/zinc/43/92/78/712439278.db2.gz LICSKUQEOKKIFQ-UHFFFAOYSA-N 2 0 249.358 1.494 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@H]2CCN2C)CC1 ZINC000712554354 712444747 /nfs/dbraw/zinc/44/47/47/712444747.db2.gz BKKJLJZWMSKLDC-CYBMUJFWSA-N 2 0 225.380 1.155 20 0 BDADRP CCN1CC[C@@H]1C[NH2+]CC1CC[NH+](C)CC1 ZINC000712554417 712444975 /nfs/dbraw/zinc/44/49/75/712444975.db2.gz BZMGKMYFFSSKKS-CYBMUJFWSA-N 2 0 225.380 1.012 20 0 BDADRP CC1(C)CO[C@H](C[N@@H+]2CC[NH2+]CCC2(C)C)C1 ZINC000712577207 712448319 /nfs/dbraw/zinc/44/83/19/712448319.db2.gz NWFUPXGKFNVIEV-LBPRGKRZSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@H]2CCC(C)(C)CO2)C1 ZINC000713584354 712466341 /nfs/dbraw/zinc/46/63/41/712466341.db2.gz DQEYHUSJULYXJT-RWMBFGLXSA-N 2 0 240.391 1.861 20 0 BDADRP CC(C)(C[NH3+])C1CC[NH+](Cc2ccno2)CC1 ZINC000714441424 712489164 /nfs/dbraw/zinc/48/91/64/712489164.db2.gz XDQHMOGSEZYLMQ-UHFFFAOYSA-N 2 0 237.347 1.872 20 0 BDADRP CC(C)C1CC([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000714657801 712495425 /nfs/dbraw/zinc/49/54/25/712495425.db2.gz HIJMUEBLBRLBHW-IGJPJIBNSA-N 2 0 210.365 1.866 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1CC13CC3)[NH2+]2 ZINC000715261519 712515012 /nfs/dbraw/zinc/51/50/12/712515012.db2.gz NSZOAQMJSOMFEC-ROHXPCBUSA-N 2 0 206.333 1.658 20 0 BDADRP C[N@H+](C[C@@H]1CC[C@@H](C2CC2)O1)C1CC([NH3+])C1 ZINC000715391046 712522240 /nfs/dbraw/zinc/52/22/40/712522240.db2.gz VFDXOADWKNEAAB-TYUFSLCMSA-N 2 0 224.348 1.366 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H]2CC[C@H](C3CC3)O2)C1 ZINC000715511674 712524651 /nfs/dbraw/zinc/52/46/51/712524651.db2.gz STZVTGUQECZCDC-AHLTXXRQSA-N 2 0 238.375 1.613 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@H]2CC[C@@H](C3CC3)O2)C1 ZINC000715511677 712524670 /nfs/dbraw/zinc/52/46/70/712524670.db2.gz STZVTGUQECZCDC-ASEORRQLSA-N 2 0 238.375 1.613 20 0 BDADRP C[NH+](C)C1(C)CCC([NH2+][C@H]2CCCNC2)CC1 ZINC000715513673 712524934 /nfs/dbraw/zinc/52/49/34/712524934.db2.gz SCPZEQVXXIGOHD-MOKVOYLWSA-N 2 0 239.407 1.591 20 0 BDADRP C[N@H+](C[C@H]1CC[C@@H](C2CC2)O1)C1CC[NH2+]CC1 ZINC000715513106 712525200 /nfs/dbraw/zinc/52/52/00/712525200.db2.gz YTCNVWDOIGEMTA-KGLIPLIRSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)C1C[NH2+]C1 ZINC000715561391 712528716 /nfs/dbraw/zinc/52/87/16/712528716.db2.gz JXVMRWTUTWVYHL-LMWSTFAQSA-N 3 0 239.407 1.447 20 0 BDADRP C([NH2+]C1CCC2(CC1)OCCO2)[C@H]1CCC[NH2+]1 ZINC000715729845 712531510 /nfs/dbraw/zinc/53/15/10/712531510.db2.gz FTHKONZHGGVHFQ-GFCCVEGCSA-N 2 0 240.347 1.014 20 0 BDADRP [NH3+]C1CC[NH+](C[C@@H]2CCC3(CCC3)CO2)CC1 ZINC000716278659 712553459 /nfs/dbraw/zinc/55/34/59/712553459.db2.gz NRJLYTYRAAZJLG-ZDUSSCGKSA-N 2 0 238.375 1.759 20 0 BDADRP CC1(C)CO[C@H](C[NH2+]CC2([NH3+])CCC2)C1 ZINC000717654264 712663174 /nfs/dbraw/zinc/66/31/74/712663174.db2.gz DSYBSURSWPXVML-JTQLQIEISA-N 2 0 212.337 1.273 20 0 BDADRP Cn1ncc2c1CCC[C@@H]2[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000222950167 712670633 /nfs/dbraw/zinc/67/06/33/712670633.db2.gz OLFCCVGRNYYJCG-MDZLAQPJSA-N 2 0 248.374 1.657 20 0 BDADRP CC[NH+](CC)CCNC(=O)CC[NH2+]C(C)(C)C ZINC000037632223 712705271 /nfs/dbraw/zinc/70/52/71/712705271.db2.gz WOTHLNBQSZSANV-UHFFFAOYSA-N 2 0 243.395 1.223 20 0 BDADRP COCC(C)(C)CC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000718746697 712779770 /nfs/dbraw/zinc/77/97/70/712779770.db2.gz WTXBMHZUNUGSNF-VXGBXAGGSA-N 2 0 240.391 1.909 20 0 BDADRP COCC(C)(C)CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000718757298 712780202 /nfs/dbraw/zinc/78/02/02/712780202.db2.gz AMWJWVIFQNIQJB-NWDGAFQWSA-N 2 0 228.380 1.779 20 0 BDADRP C[NH+](C)C[C@@H](NC1CC[NH2+]CC1)c1ccccc1 ZINC000038040681 712801088 /nfs/dbraw/zinc/80/10/88/712801088.db2.gz JPYFIIVDOYACFR-OAHLLOKOSA-N 2 0 247.386 1.631 20 0 BDADRP Cc1c[nH+]ccc1N[C@H]1CC[N@H+](C)[C@H]1C ZINC000719571679 712811428 /nfs/dbraw/zinc/81/14/28/712811428.db2.gz SOUKRGNLCHKUAB-JQWIXIFHSA-N 2 0 205.305 1.316 20 0 BDADRP C[C@H]1[C@H](NC2CC[NH+](C3CC3)CC2)CC[N@@H+]1C ZINC000719620759 712817477 /nfs/dbraw/zinc/81/74/77/712817477.db2.gz WYPRPAIJSMSWNY-SMDDNHRTSA-N 2 0 237.391 1.295 20 0 BDADRP C[C@@H](O)[C@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000719824174 712823856 /nfs/dbraw/zinc/82/38/56/712823856.db2.gz ZXMURKDOCKXGSE-IUKMKKQMSA-N 2 0 238.375 1.220 20 0 BDADRP CC[C@@H]1C[N@H+](CCc2ccns2)CC[C@H]1[NH3+] ZINC000719845912 712826225 /nfs/dbraw/zinc/82/62/25/712826225.db2.gz QRERWWNAKNTMOO-ZYHUDNBSSA-N 2 0 239.388 1.745 20 0 BDADRP Cc1cc(C[NH+]2CCC(CC[NH3+])CC2)c(C)nn1 ZINC000720588297 712855279 /nfs/dbraw/zinc/85/52/79/712855279.db2.gz STDXZZJDFZGYBZ-UHFFFAOYSA-N 2 0 248.374 1.654 20 0 BDADRP Cc1cc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])c(C)nn1 ZINC000720588183 712855431 /nfs/dbraw/zinc/85/54/31/712855431.db2.gz SDFHMRXGPJNTMK-CQSZACIVSA-N 2 0 248.374 1.797 20 0 BDADRP COCCC[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720805260 712867049 /nfs/dbraw/zinc/86/70/49/712867049.db2.gz LEXKVJMLDJJZGX-IUCAKERBSA-N 2 0 240.269 1.092 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@@H]2C[C@H]3CCC[C@H]3O2)C1 ZINC000720820800 712868838 /nfs/dbraw/zinc/86/88/38/712868838.db2.gz NJRIGZFFLYHBJZ-YIYPIFLZSA-N 2 0 238.375 1.615 20 0 BDADRP CN1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CC[NH2+]CC1 ZINC000720886672 712874238 /nfs/dbraw/zinc/87/42/38/712874238.db2.gz CNBMIMCWXWIJTN-UONOGXRCSA-N 2 0 237.391 1.155 20 0 BDADRP O[C@H]1C[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000720951805 712882066 /nfs/dbraw/zinc/88/20/66/712882066.db2.gz RVWNECYGUIXDCJ-HTVCTNPSSA-N 2 0 238.375 1.268 20 0 BDADRP CCc1ccc(C[NH2+]C2CC([NH3+])C2)cc1 ZINC000234184081 957873585 /nfs/dbraw/zinc/87/35/85/957873585.db2.gz GBMYFRVRCQJRRY-UHFFFAOYSA-N 2 0 204.317 1.828 20 0 BDADRP CS[C@H](C)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000382272052 958870693 /nfs/dbraw/zinc/87/06/93/958870693.db2.gz ZIXWCYVFXFBSRR-AYAQEJOPSA-N 2 0 226.389 1.324 20 0 BDADRP CC(C)[C@H](CCO)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709408070 960578502 /nfs/dbraw/zinc/57/85/02/960578502.db2.gz SBMUGDBRDDHOEM-HNGCFSAESA-N 2 0 226.364 1.266 20 0 BDADRP C[C@@H]([NH2+]CCOC1CCC1)C1CC[NH+](C)CC1 ZINC000690688004 961177380 /nfs/dbraw/zinc/17/73/80/961177380.db2.gz IJSNOUPYDPIZPK-GFCCVEGCSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1C[C@@H](CNc2cccc(N)[nH+]2)C[NH2+]1 ZINC001155100941 962976261 /nfs/dbraw/zinc/97/62/61/962976261.db2.gz BFJOPLOHCOZYPP-RKDXNWHRSA-N 2 0 206.293 1.074 20 0 BDADRP CC(C)[N@H+](C)[C@@H]1CCN(Cc2cncn2C)C1 ZINC001204386721 963924683 /nfs/dbraw/zinc/92/46/83/963924683.db2.gz YRAULHBRVZQGLF-GFCCVEGCSA-N 2 0 236.363 1.335 20 0 BDADRP CCSc1cncc(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001159787859 964199496 /nfs/dbraw/zinc/19/94/96/964199496.db2.gz CCKQEODGXNLMFZ-MRVPVSSYSA-N 2 0 241.364 1.024 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc2occc2n1 ZINC001159786328 964203543 /nfs/dbraw/zinc/20/35/43/964203543.db2.gz YGEMWAFPYXVSAV-JTQLQIEISA-N 2 0 220.276 1.263 20 0 BDADRP CCC[NH2+]CCCNC(=O)C(C)(C)[N@H+](C)CC ZINC001161245159 964559908 /nfs/dbraw/zinc/55/99/08/964559908.db2.gz JRLLOVYXCRMXBK-UHFFFAOYSA-N 2 0 243.395 1.223 20 0 BDADRP [NH3+][C@H]1CCC[N@H+](Cc2ccc[nH]c2=O)CC1 ZINC001205094976 965734774 /nfs/dbraw/zinc/73/47/74/965734774.db2.gz SFKPFQKDQKRBKE-NSHDSACASA-N 2 0 221.304 1.100 20 0 BDADRP CC[C@H]1COC[C@@H]1[NH2+]CCC[N@H+](C)C(C)C ZINC000699552773 965965040 /nfs/dbraw/zinc/96/50/40/965965040.db2.gz LLGIZANELJUNEW-STQMWFEESA-N 2 0 228.380 1.731 20 0 BDADRP [NH3+]CCCC[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001204848714 967199875 /nfs/dbraw/zinc/19/98/75/967199875.db2.gz RHTSCUBFZSWSIG-VXGBXAGGSA-N 2 0 212.337 1.226 20 0 BDADRP [NH3+][C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC001205093476 967337291 /nfs/dbraw/zinc/33/72/91/967337291.db2.gz AYJORKNJHDAPOC-QWHCGFSZSA-N 3 0 225.380 1.189 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+]CCC2(C)OCCO2)CC1 ZINC000715917185 967708007 /nfs/dbraw/zinc/70/80/07/967708007.db2.gz LVIZMIGDILVWIO-GFCCVEGCSA-N 2 0 242.363 1.213 20 0 BDADRP CSCCC[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205735647 967808073 /nfs/dbraw/zinc/80/80/73/967808073.db2.gz OZQWOUNPFLONAZ-SECBINFHSA-N 2 0 238.347 1.655 20 0 BDADRP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001205903499 967881679 /nfs/dbraw/zinc/88/16/79/967881679.db2.gz PRTJJPDRACVHGJ-RDBSUJKOSA-N 3 0 239.407 1.435 20 0 BDADRP CC[C@@H](CCC(=O)OC)C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001206053305 968023820 /nfs/dbraw/zinc/02/38/20/968023820.db2.gz QOLVTBMJUNKYCL-GRYCIOLGSA-N 2 0 242.363 1.245 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@H+](CC2CC[NH2+]CC2)CC1 ZINC001206296223 968200592 /nfs/dbraw/zinc/20/05/92/968200592.db2.gz QJYUMMYDDGLYGG-CQSZACIVSA-N 3 0 239.407 1.437 20 0 BDADRP C[C@@H]1CCC[N@H+](CC(C)(C)C[NH+](C)C)[C@H]1CO ZINC001207274738 968707570 /nfs/dbraw/zinc/70/75/70/968707570.db2.gz FWSXJTQGQWNEEP-OLZOCXBDSA-N 2 0 242.407 1.667 20 0 BDADRP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@]2(CCO2)C1 ZINC001207282459 968718093 /nfs/dbraw/zinc/71/80/93/968718093.db2.gz JZVYSLUMVLNMGA-AWEZNQCLSA-N 2 0 240.391 1.829 20 0 BDADRP COC[C@@H]1CCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC001207391883 968746940 /nfs/dbraw/zinc/74/69/40/968746940.db2.gz PYMNOSWZEZCRSP-ZDUSSCGKSA-N 2 0 226.364 1.439 20 0 BDADRP COC[C@H]1CC[N@H+](CCC2CC[NH+](C)CC2)C1 ZINC001207480001 968795544 /nfs/dbraw/zinc/79/55/44/968795544.db2.gz SEZJFSFDGZNOLP-AWEZNQCLSA-N 2 0 240.391 1.687 20 0 BDADRP CN(C)[C@H]1CC[N@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208099931 968998570 /nfs/dbraw/zinc/99/85/70/968998570.db2.gz BUOSSDDUJRTGIZ-ZDUSSCGKSA-N 2 0 239.407 1.354 20 0 BDADRP C[NH+]1CCC(C)(C[NH+]2CCC(O)CC2)CC1 ZINC001208104295 969004353 /nfs/dbraw/zinc/00/43/53/969004353.db2.gz LBKCJYVQHLQZOB-UHFFFAOYSA-N 2 0 226.364 1.175 20 0 BDADRP C[NH+]1CCC(C)(C[NH+]2CC(C3COC3)C2)CC1 ZINC001208104344 969004478 /nfs/dbraw/zinc/00/44/78/969004478.db2.gz MDFAWPIVWRFYOH-UHFFFAOYSA-N 2 0 238.375 1.297 20 0 BDADRP CC[N@H+](CC1(C)CC[NH+](C)CC1)C1CN(C)C1 ZINC001208110325 969009518 /nfs/dbraw/zinc/00/95/18/969009518.db2.gz ANWURYKRZHZNBR-UHFFFAOYSA-N 2 0 239.407 1.354 20 0 BDADRP CC[NH+]1CCC(C[N@H+](C)[C@@H]2CCN(C)C2)CC1 ZINC001208597621 969146834 /nfs/dbraw/zinc/14/68/34/969146834.db2.gz JRVZKTLAQCQBPW-CQSZACIVSA-N 2 0 239.407 1.354 20 0 BDADRP COC1(C)CC[NH+](C[C@H]2CCC[N@H+](C)C2)CC1 ZINC001208604571 969155589 /nfs/dbraw/zinc/15/55/89/969155589.db2.gz QMYGMFZRGASZGD-ZDUSSCGKSA-N 2 0 240.391 1.829 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CC[C@H]2COC)CC1 ZINC001208604398 969158795 /nfs/dbraw/zinc/15/87/95/969158795.db2.gz OBPGXWIHDIKQHE-ZDUSSCGKSA-N 2 0 226.364 1.439 20 0 BDADRP COC[C@@H]1CC[N@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208606888 969165047 /nfs/dbraw/zinc/16/50/47/969165047.db2.gz ISJKHNQUTYOZEV-QWHCGFSZSA-N 2 0 226.364 1.297 20 0 BDADRP CCCN(CCC[NH3+])[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169095377 969384157 /nfs/dbraw/zinc/38/41/57/969384157.db2.gz QMTFAEPPTPOPRT-BTTYYORXSA-N 3 0 239.407 1.672 20 0 BDADRP COCC[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001209211468 969399955 /nfs/dbraw/zinc/39/99/55/969399955.db2.gz RBZGQIJGXBGFGO-AWEZNQCLSA-N 2 0 240.391 1.973 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+]C2(C)CCOCC2)CC1 ZINC001254497492 969662048 /nfs/dbraw/zinc/66/20/48/969662048.db2.gz KGUAZRTWDLDEFP-GFCCVEGCSA-N 2 0 226.364 1.629 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+]CCc2nncs2)CC1 ZINC001254511084 969682356 /nfs/dbraw/zinc/68/23/56/969682356.db2.gz UYBBHMPIIMSWHY-JTQLQIEISA-N 2 0 240.376 1.155 20 0 BDADRP C[C@@H]1C[C@@H](O)CC[N@@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254525067 969722640 /nfs/dbraw/zinc/72/26/40/969722640.db2.gz FPMQDISIXZISPW-UPJWGTAASA-N 2 0 226.364 1.316 20 0 BDADRP CC(C)[NH+]1CCC(C[NH2+]C2CCOCC2)CC1 ZINC001255032163 969856184 /nfs/dbraw/zinc/85/61/84/969856184.db2.gz JEXDMVDZSBPYFH-UHFFFAOYSA-N 2 0 240.391 1.875 20 0 BDADRP CN1CCC[C@@H]2C[N@@H+](C3CCSCC3)C[C@@H]21 ZINC001255094772 969931325 /nfs/dbraw/zinc/93/13/25/969931325.db2.gz KHHZPYNSOPVNQW-YPMHNXCESA-N 2 0 240.416 1.908 20 0 BDADRP CCC[NH+]1C[C@@H]2C[NH+]([C@H]3CCSC3)C[C@H]2C1 ZINC001255292674 970051818 /nfs/dbraw/zinc/05/18/18/970051818.db2.gz HULZVRPQVCRDOR-UPJWGTAASA-N 2 0 240.416 1.766 20 0 BDADRP C[N@H+](CCO)CCC[NH2+]C1CCC(C)(C)CC1 ZINC001255301972 970065890 /nfs/dbraw/zinc/06/58/90/970065890.db2.gz IIQFPINFXWNXGD-UHFFFAOYSA-N 2 0 242.407 1.859 20 0 BDADRP CCCN(CCC[NH3+])[C@@H]1CCC[N@H+](C)C1 ZINC001255468547 970195469 /nfs/dbraw/zinc/19/54/69/970195469.db2.gz VDXZHDNYSNCTAW-GFCCVEGCSA-N 2 0 213.369 1.141 20 0 BDADRP C1=C(c2ccc3c(c2)CC[NH2+]C3)C[NH2+]C1 ZINC001243108285 970336830 /nfs/dbraw/zinc/33/68/30/970336830.db2.gz FSMSAOHFDMDUIP-UHFFFAOYSA-N 2 0 200.285 1.319 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]C[C@H](C)O ZINC001255940032 970570115 /nfs/dbraw/zinc/57/01/15/970570115.db2.gz LUNTWFFAGSAHKM-MNOVXSKESA-N 2 0 202.342 1.077 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])CCO1 ZINC001170204894 970573187 /nfs/dbraw/zinc/57/31/87/970573187.db2.gz TUVKCTMDDXTJAA-WHOHXGKFSA-N 2 0 212.337 1.413 20 0 BDADRP C[C@H]([NH2+]Cc1ccncc1)C1CC[NH2+]CC1 ZINC000400421219 970587116 /nfs/dbraw/zinc/58/71/16/970587116.db2.gz WXNGJKGBBZNYQP-NSHDSACASA-N 2 0 219.332 1.559 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N[C@@H]1CC[N@H+](CC)C1 ZINC001255952638 970590300 /nfs/dbraw/zinc/59/03/00/970590300.db2.gz GDVIXGVZKPBCLI-ZIAGYGMSSA-N 2 0 241.423 1.791 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCCC[C@@H](O)C1 ZINC001255958145 970597392 /nfs/dbraw/zinc/59/73/92/970597392.db2.gz YSSYQWFNOYQQHY-ZIAGYGMSSA-N 2 0 242.407 1.954 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC[C@@H]1CO ZINC001255958063 970597937 /nfs/dbraw/zinc/59/79/37/970597937.db2.gz YECSTJSNPVKOGO-CHWSQXEVSA-N 2 0 228.380 1.564 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[N@H+](C)CC1COC1 ZINC001255965145 970601331 /nfs/dbraw/zinc/60/13/31/970601331.db2.gz YIRXATBGMHEWCE-GFCCVEGCSA-N 2 0 228.380 1.685 20 0 BDADRP OCCCCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400974591 970651347 /nfs/dbraw/zinc/65/13/47/970651347.db2.gz RDXYYLCFUFLQTL-MELADBBJSA-N 2 0 240.391 1.517 20 0 BDADRP CCCC[NH+]1CCN(C2CC[NH+](C)CC2)CC1 ZINC001256207558 970709732 /nfs/dbraw/zinc/70/97/32/970709732.db2.gz MRCXQDWJARPCDY-UHFFFAOYSA-N 2 0 239.407 1.498 20 0 BDADRP CCSC[C@@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001173312379 975223538 /nfs/dbraw/zinc/22/35/38/975223538.db2.gz TWBWFYXDFRALEH-UTUOFQBUSA-N 2 0 228.405 1.621 20 0 BDADRP CCSC[C@@H](C)NC(=[NH2+])SCC[NH3+] ZINC001173289361 975254647 /nfs/dbraw/zinc/25/46/47/975254647.db2.gz VAKMRQNAGRKOQE-SSDOTTSWSA-N 2 0 221.395 1.344 20 0 BDADRP [NH3+]CCCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC001332879384 975305448 /nfs/dbraw/zinc/30/54/48/975305448.db2.gz QLENHXCTNFZNKS-UONOGXRCSA-N 3 0 239.407 1.483 20 0 BDADRP CC[N@@H+]1CC[C@H](N2CC[C@H]([NH+](C)C3CC3)C2)C1 ZINC001173366506 975337347 /nfs/dbraw/zinc/33/73/47/975337347.db2.gz ACFOSALAVRMZKB-KBPBESRZSA-N 2 0 237.391 1.249 20 0 BDADRP CC[N@@H+]1CC[C@H](N2CC[NH+](CC3CC3)CC2)C1 ZINC001173362978 975341320 /nfs/dbraw/zinc/34/13/20/975341320.db2.gz KMLCUASEAVKWSI-AWEZNQCLSA-N 2 0 237.391 1.108 20 0 BDADRP [NH3+]CC1CCC([NH2+]C[C@@H]2CCCCC[NH2+]2)CC1 ZINC001334708824 976592391 /nfs/dbraw/zinc/59/23/91/976592391.db2.gz WRKRUARHNNFYLE-RUXDESIVSA-N 3 0 239.407 1.626 20 0 BDADRP C[NH2+]C[C@@H](C)CNC[C@H]([NH3+])CCC(C)(C)C ZINC001336284710 977613912 /nfs/dbraw/zinc/61/39/12/977613912.db2.gz BUSISZPFHFWLPR-VXGBXAGGSA-N 2 0 229.412 1.585 20 0 BDADRP CCCC[N@H+](C)C[C@@H](C)Nc1ccnc(N)n1 ZINC001339718725 978898273 /nfs/dbraw/zinc/89/82/73/978898273.db2.gz CIZQMIARHJYUDM-SNVBAGLBSA-N 2 0 237.351 1.591 20 0 BDADRP C[C@@H]1C[C@H]1C[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235126633 978982702 /nfs/dbraw/zinc/98/27/02/978982702.db2.gz VPNHMDZUCUFZIH-AGIUHOORSA-N 2 0 208.349 1.860 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCC[C@H]1c1ccccn1 ZINC001235695451 979124867 /nfs/dbraw/zinc/12/48/67/979124867.db2.gz UEZXIHLIXDSEBE-ZDUSSCGKSA-N 2 0 219.332 1.957 20 0 BDADRP C[C@H](CC[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1)CC(C)(C)C ZINC001206454369 979121396 /nfs/dbraw/zinc/12/13/96/979121396.db2.gz DKNSNPCGUNRRFR-FRRDWIJNSA-N 2 0 242.407 1.700 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1ccccc1C[NH3+] ZINC001341165002 979260676 /nfs/dbraw/zinc/26/06/76/979260676.db2.gz OSIMGUJSNABTHZ-NXEZZACHSA-N 2 0 235.331 1.001 20 0 BDADRP OCCCC[N@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236634531 979685593 /nfs/dbraw/zinc/68/55/93/979685593.db2.gz VLAHJOHDCQXMQB-UHFFFAOYSA-N 2 0 226.364 1.365 20 0 BDADRP CC[C@@H]([NH3+])CN([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236646817 979689354 /nfs/dbraw/zinc/68/93/54/979689354.db2.gz IQEBICIWUMLLTF-OCCSQVGLSA-N 2 0 239.407 1.720 20 0 BDADRP C[C@@]1([NH3+])CCC[N@H+](C[C@@H]2CCC=CO2)CC1 ZINC001205257428 979760760 /nfs/dbraw/zinc/76/07/60/979760760.db2.gz VMRKGEUVDZLJHN-QWHCGFSZSA-N 2 0 224.348 1.882 20 0 BDADRP CC(C)[NH2+]CC(=O)Nc1ccccc1C[NH3+] ZINC001342339879 979777964 /nfs/dbraw/zinc/77/79/64/979777964.db2.gz JIORRVFTRKXSGA-UHFFFAOYSA-N 2 0 221.304 1.082 20 0 BDADRP C[C@@H]([NH3+])CN(C)C(=O)[C@H]([NH3+])C1CCCCCC1 ZINC001342338307 979774788 /nfs/dbraw/zinc/77/47/88/979774788.db2.gz SQRCISACSPTSHT-ZYHUDNBSSA-N 2 0 241.379 1.090 20 0 BDADRP CC[C@H](C)CN(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001236923068 979795245 /nfs/dbraw/zinc/79/52/45/979795245.db2.gz INOVGTQGYPGDRT-KBPBESRZSA-N 2 0 241.423 1.648 20 0 BDADRP CC1(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)COC1 ZINC001237384319 979881535 /nfs/dbraw/zinc/88/15/35/979881535.db2.gz VRNGSRHYNJOGMC-VXGBXAGGSA-N 2 0 224.348 1.097 20 0 BDADRP CCN(C)[C@@H]1CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC001184440728 980070497 /nfs/dbraw/zinc/07/04/97/980070497.db2.gz UPMRBICWBGMSFM-CQSZACIVSA-N 2 0 239.407 1.354 20 0 BDADRP CC[C@@H](C)C[C@@H]([NH3+])C(=O)N(C)C1(C[NH3+])CCC1 ZINC001343503906 980134361 /nfs/dbraw/zinc/13/43/61/980134361.db2.gz CZRLHFGNYIKQKD-GHMZBOCLSA-N 2 0 241.379 1.090 20 0 BDADRP CC1(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)OCCO1 ZINC001345098078 980544870 /nfs/dbraw/zinc/54/48/70/980544870.db2.gz QKMXINNGTQOQNS-NSHDSACASA-N 2 0 242.363 1.117 20 0 BDADRP C[N@@H+]1CCC=C(c2cccc(CC[NH3+])c2)C1 ZINC001241570535 982823511 /nfs/dbraw/zinc/82/35/11/982823511.db2.gz JTBHZPMERAXVIK-UHFFFAOYSA-N 2 0 216.328 1.907 20 0 BDADRP CC(C)CC[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001201624510 983380142 /nfs/dbraw/zinc/38/01/42/983380142.db2.gz VIKFVFJYLOGKIQ-UHFFFAOYSA-N 2 0 241.423 1.602 20 0 BDADRP CC[C@@H](C)C[C@@H]([NH3+])C(=O)NC(C)(C)CCC[NH3+] ZINC001357475436 983728276 /nfs/dbraw/zinc/72/82/76/983728276.db2.gz XASRGYKTGZFBEM-GHMZBOCLSA-N 2 0 243.395 1.384 20 0 BDADRP CCOCC[C@@H](C)[NH2+][C@@H]1CCN(C(C)C)C1 ZINC001172412449 974678836 /nfs/dbraw/zinc/67/88/36/974678836.db2.gz XXZRVPKZRNRMBQ-CHWSQXEVSA-N 2 0 228.380 1.874 20 0 BDADRP CCOCC[C@H](C)[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001172422315 974696665 /nfs/dbraw/zinc/69/66/65/974696665.db2.gz ZDSZDSCNJKUCLO-MJBXVCDLSA-N 2 0 240.391 1.685 20 0 BDADRP CC(C)OCC[C@H](C)NC(=[NH2+])NCCCC[NH3+] ZINC001172438553 974794753 /nfs/dbraw/zinc/79/47/53/974794753.db2.gz TUDNUYYTJNOPBX-NSHDSACASA-N 2 0 244.383 1.043 20 0 BDADRP CC(C)OCC[C@H](C)[N@H+](C)C[C@@H](C)C[NH3+] ZINC001172442083 974800987 /nfs/dbraw/zinc/80/09/87/974800987.db2.gz RHIJNENBSCWHAU-RYUDHWBXSA-N 2 0 216.369 1.717 20 0 BDADRP C[NH2+][C@H](C)CCN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC001327839930 972754833 /nfs/dbraw/zinc/75/48/33/972754833.db2.gz ORWLWUBCOUZRLI-RDBSUJKOSA-N 2 0 241.423 1.885 20 0 BDADRP CCCC[C@@H](CC(C)C)[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246587238 972982909 /nfs/dbraw/zinc/98/29/09/972982909.db2.gz WITBRLAOQYTDDT-IHRRRGAJSA-N 2 0 242.407 1.843 20 0 BDADRP COC[C@H]1CC[N@@H+]([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246601471 973016845 /nfs/dbraw/zinc/01/68/45/973016845.db2.gz VQHXLLIHXDEWBB-WOPDTQHZSA-N 2 0 212.337 1.095 20 0 BDADRP C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)C[NH2+]1 ZINC001246770000 973090621 /nfs/dbraw/zinc/09/06/21/973090621.db2.gz MCQSAYOBCKQKOL-WTPMCQDGSA-N 2 0 212.312 1.559 20 0 BDADRP CC[C@@H]1C[C@H](N2C[C@H](C)C[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246860325 973180996 /nfs/dbraw/zinc/18/09/96/973180996.db2.gz GJMKCRGCKQTYSL-YVECIDJPSA-N 2 0 225.380 1.186 20 0 BDADRP C[NH2+]C[C@@H]1CCN([C@@H]2CC[NH2+][C@@H](C(C)C)C2)C1 ZINC001246863742 973187274 /nfs/dbraw/zinc/18/72/74/973187274.db2.gz LXSGXFWWTQZCIM-BFHYXJOUSA-N 2 0 239.407 1.304 20 0 BDADRP CC[N@H+](C[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CCCOC1 ZINC000402708847 970839481 /nfs/dbraw/zinc/83/94/81/970839481.db2.gz RMBZBVLJEMFYJU-AGIUHOORSA-N 2 0 226.364 1.343 20 0 BDADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CCO2)CC1 ZINC001256561981 970857089 /nfs/dbraw/zinc/85/70/89/970857089.db2.gz SJYDJOHPEZQHNI-GFCCVEGCSA-N 2 0 226.364 1.628 20 0 BDADRP CC(C)(C)[NH+]1CCC([NH2+]CCCC[NH3+])CC1 ZINC001256561966 970862935 /nfs/dbraw/zinc/86/29/35/970862935.db2.gz RLZUPZBVGACEAD-UHFFFAOYSA-N 3 0 227.396 1.578 20 0 BDADRP C[C@H](C[NH3+])CN(C)C1CC[NH+](C(C)(C)C)CC1 ZINC001256563842 970863612 /nfs/dbraw/zinc/86/36/12/970863612.db2.gz ISUIOBKQABIMTE-GFCCVEGCSA-N 2 0 241.423 1.776 20 0 BDADRP CCC[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256615439 970878362 /nfs/dbraw/zinc/87/83/62/970878362.db2.gz HAVQRWIRMGXXNH-ODWCKFRGSA-N 2 0 226.364 1.362 20 0 BDADRP C[C@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[C@@H]1O ZINC001256624334 970891100 /nfs/dbraw/zinc/89/11/00/970891100.db2.gz WZGBSMVVZCKLGF-MWWBDVBNSA-N 2 0 238.375 1.314 20 0 BDADRP [NH3+]C[C@H]1C[N@H+](CC2CC2)CCC1(F)F ZINC000403206869 970892890 /nfs/dbraw/zinc/89/28/90/970892890.db2.gz DAOIFRFQZKFEHE-VIFPVBQESA-N 2 0 204.264 1.312 20 0 BDADRP C[C@H]1CC[N@@H+]1C1CCC([NH+]2CCOCC2)CC1 ZINC001256692295 970925353 /nfs/dbraw/zinc/92/53/53/970925353.db2.gz XJBRQFFNNVCZDO-HSBZDZAISA-N 2 0 238.375 1.724 20 0 BDADRP CNc1cc(Nc2c[nH+]cn2C)cc[nH+]1 ZINC001216333380 971045219 /nfs/dbraw/zinc/04/52/19/971045219.db2.gz VCSMSOWGLYXLNS-UHFFFAOYSA-N 2 0 203.249 1.600 20 0 BDADRP C[C@H]1CC([NH2+][C@H]2CCC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC001257078540 971094188 /nfs/dbraw/zinc/09/41/88/971094188.db2.gz MTLQLNRMAVHJNA-BJDJZHNGSA-N 2 0 226.364 1.802 20 0 BDADRP CC(C)[NH+]1CCC(N[C@@H](C)c2cncnc2)CC1 ZINC001257205880 971124901 /nfs/dbraw/zinc/12/49/01/971124901.db2.gz REXUYQAOXXUTGA-LBPRGKRZSA-N 2 0 248.374 2.000 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]CCCC(C)(C)O)CC1 ZINC001257207914 971128924 /nfs/dbraw/zinc/12/89/24/971128924.db2.gz APAFCQYYDMXHJK-UHFFFAOYSA-N 2 0 242.407 2.000 20 0 BDADRP CCC[C@H](CC)[NH2+]CCN1CCC[N@H+](C)CC1 ZINC001257246506 971140130 /nfs/dbraw/zinc/14/01/30/971140130.db2.gz ASASMCVFOWWTPL-AWEZNQCLSA-N 2 0 241.423 1.792 20 0 BDADRP CC[N@@H+]1CCCN(c2cc(N)c(C)c[nH+]2)CC1 ZINC000307769859 971176310 /nfs/dbraw/zinc/17/63/10/971176310.db2.gz GSIOZYMTSDJHBQ-UHFFFAOYSA-N 2 0 234.347 1.504 20 0 BDADRP CC(C)O[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000404799530 971181307 /nfs/dbraw/zinc/18/13/07/971181307.db2.gz XZGIKMFOBHVGTN-HZSPNIEDSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)O1 ZINC000405212247 971209202 /nfs/dbraw/zinc/20/92/02/971209202.db2.gz IOOXAQYQRUNWGO-WISYIIOYSA-N 2 0 224.348 1.413 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405203597 971209920 /nfs/dbraw/zinc/20/99/20/971209920.db2.gz CCJQYMPDPYDYBT-NAKRPEOUSA-N 2 0 212.337 1.005 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CC[C@@H]2CCCCO2)C12CCC2 ZINC000405237154 971214777 /nfs/dbraw/zinc/21/47/77/971214777.db2.gz UBZQZYYYJPKZFT-XQQFMLRXSA-N 2 0 238.375 1.805 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2ccco2)C12CCC2 ZINC000405259766 971221759 /nfs/dbraw/zinc/22/17/59/971221759.db2.gz IIIFNZMLTFNVLP-RYUDHWBXSA-N 2 0 220.316 1.682 20 0 BDADRP Cc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)cn1 ZINC000405270895 971224894 /nfs/dbraw/zinc/22/48/94/971224894.db2.gz UPLMZOIVYFROKC-OLZOCXBDSA-N 2 0 231.343 1.750 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2ccncc2)C12CCC2 ZINC000405271670 971226246 /nfs/dbraw/zinc/22/62/46/971226246.db2.gz VBLDIHUDWPKWBG-CHWSQXEVSA-N 2 0 231.343 1.484 20 0 BDADRP Cc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)cn1 ZINC000405270897 971228519 /nfs/dbraw/zinc/22/85/19/971228519.db2.gz UPLMZOIVYFROKC-QWHCGFSZSA-N 2 0 231.343 1.750 20 0 BDADRP CC(C)SCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405313018 971230188 /nfs/dbraw/zinc/23/01/88/971230188.db2.gz PULOIZGVCFUOBG-MNOVXSKESA-N 2 0 228.405 1.988 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]C2CCSCC2)C12CCC2 ZINC000405297230 971231072 /nfs/dbraw/zinc/23/10/72/971231072.db2.gz HOJUFHXEJWNMSF-GHMZBOCLSA-N 2 0 226.389 1.742 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CS1 ZINC000405340842 971236006 /nfs/dbraw/zinc/23/60/06/971236006.db2.gz CQESVXYMOQMUQZ-YTWAJWBKSA-N 2 0 226.389 1.740 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]CC2(CO)CCCC2)C12CCC2 ZINC000405339738 971236337 /nfs/dbraw/zinc/23/63/37/971236337.db2.gz HHQYPXIIKPWMKA-NWDGAFQWSA-N 2 0 238.375 1.399 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCSC2)C12CCC2 ZINC000405329055 971238987 /nfs/dbraw/zinc/23/89/87/971238987.db2.gz VVGDBELJSZAWST-OPRDCNLKSA-N 2 0 212.362 1.351 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CO1 ZINC000405322735 971239049 /nfs/dbraw/zinc/23/90/49/971239049.db2.gz VOWBEIGAYYOULV-YTWAJWBKSA-N 2 0 210.321 1.023 20 0 BDADRP CCOCCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405340421 971239409 /nfs/dbraw/zinc/23/94/09/971239409.db2.gz HTFZDBARJRQQMS-GHMZBOCLSA-N 2 0 212.337 1.273 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]CCOC2CCCC2)C12CCC2 ZINC000405357502 971241597 /nfs/dbraw/zinc/24/15/97/971241597.db2.gz RUIYPIBOELIZNP-QWHCGFSZSA-N 2 0 238.375 1.805 20 0 BDADRP CCC(CC)(CO)C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405368712 971247434 /nfs/dbraw/zinc/24/74/34/971247434.db2.gz XWGSMCLWINXFOM-RYUDHWBXSA-N 2 0 240.391 1.645 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](O)C2)C12CCC2 ZINC000405372949 971246345 /nfs/dbraw/zinc/24/63/45/971246345.db2.gz ZOSPQGVVCKDWID-YFKTTZPYSA-N 2 0 224.348 1.007 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405378834 971251010 /nfs/dbraw/zinc/25/10/10/971251010.db2.gz CGSYAVGMFXXYSM-UTUOFQBUSA-N 2 0 226.364 1.397 20 0 BDADRP COCC(C)(C)C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405440885 971255808 /nfs/dbraw/zinc/25/58/08/971255808.db2.gz VNYUPGQVZXFNNB-GHMZBOCLSA-N 2 0 226.364 1.519 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCCOCC2)C12CCC2 ZINC000405456802 971260295 /nfs/dbraw/zinc/26/02/95/971260295.db2.gz YWCTYIXWZIHEDL-QJPTWQEYSA-N 2 0 224.348 1.415 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](O)C2CCC2)C12CCC2 ZINC000405451320 971260781 /nfs/dbraw/zinc/26/07/81/971260781.db2.gz GQUZGEBJLIPHQK-IJLUTSLNSA-N 2 0 224.348 1.007 20 0 BDADRP C[C@H](C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)C1CC1 ZINC000405516191 971264603 /nfs/dbraw/zinc/26/46/03/971264603.db2.gz UQDIWTYDYVKRPT-USWWRNFRSA-N 2 0 208.349 1.892 20 0 BDADRP C[NH+](C)CCN(CC[NH+](C)C)C1CCCC1 ZINC001257352564 971267282 /nfs/dbraw/zinc/26/72/82/971267282.db2.gz AYAMLWCUBQLWJP-UHFFFAOYSA-N 2 0 227.396 1.354 20 0 BDADRP CCCCCC[C@@H](C)[NH2+]CCN(C)CC[NH3+] ZINC001257356810 971269655 /nfs/dbraw/zinc/26/96/55/971269655.db2.gz APCDSVPEKSLBOH-CYBMUJFWSA-N 2 0 229.412 1.825 20 0 BDADRP C[C@H]1[C@H](C)OC[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000405551410 971270786 /nfs/dbraw/zinc/27/07/86/971270786.db2.gz SFKZOHJLFBNUFO-MELADBBJSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1OC[C@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)[C@@H]1C ZINC000405534849 971271724 /nfs/dbraw/zinc/27/17/24/971271724.db2.gz AVJHEEIVDWFBNR-XQHKEYJVSA-N 2 0 226.364 1.341 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CO[C@@H](C)[C@@H]1C)C[NH+]1CCCC1 ZINC000405565416 971274729 /nfs/dbraw/zinc/27/47/29/971274729.db2.gz ZZJYHBNKSIYQSL-ZOBORPQBSA-N 2 0 240.391 1.731 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@H]1CO[C@H](C)[C@@H]1C ZINC000405590554 971279806 /nfs/dbraw/zinc/27/98/06/971279806.db2.gz AUSYCSAQXQXMDS-YNEHKIRRSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@@H]1[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)CO[C@H]1C ZINC000405664104 971289815 /nfs/dbraw/zinc/28/98/15/971289815.db2.gz PTRYTEXBEROOGI-AVGNSLFASA-N 2 0 240.391 1.731 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CO[C@H](C)[C@H]2C)C1 ZINC000405694482 971293573 /nfs/dbraw/zinc/29/35/73/971293573.db2.gz XPCINSWCSVVHGF-FDYHWXHSSA-N 2 0 226.364 1.341 20 0 BDADRP CCCCOC(=O)CC[C@@H](C)[NH2+]C[C@H](C)C[NH3+] ZINC001257381150 971294988 /nfs/dbraw/zinc/29/49/88/971294988.db2.gz JCEIZUXDCBSVKJ-VXGBXAGGSA-N 2 0 244.379 1.683 20 0 BDADRP CC[NH+](CC)CCO[C@H]1C[NH+]2CCC1CC2 ZINC001224927259 974076238 /nfs/dbraw/zinc/07/62/38/974076238.db2.gz GOCQQGHJQOUGAM-ZDUSSCGKSA-N 2 0 226.364 1.439 20 0 BDADRP C(O[C@H]1CCCC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC001217774694 971395730 /nfs/dbraw/zinc/39/57/30/971395730.db2.gz ZCPSXNBSJRFJHM-NEPJUHHUSA-N 2 0 212.337 1.145 20 0 BDADRP [NH3+]CCCCCCCO[C@H]1C[NH2+]C[C@@H]1F ZINC001217780649 971400139 /nfs/dbraw/zinc/40/01/39/971400139.db2.gz HRMKWCGAAZDUCX-QWRGUYRKSA-N 2 0 218.316 1.222 20 0 BDADRP C[C@H]1C[NH2+]CCC[C@H]1OCCC1CC[NH2+]CC1 ZINC001217778800 971400652 /nfs/dbraw/zinc/40/06/52/971400652.db2.gz LRVATCDTRLIIQA-GXTWGEPZSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1OC[C@H]1COC(C)(C)[NH2+]1 ZINC001217789680 971407381 /nfs/dbraw/zinc/40/73/81/971407381.db2.gz QCMCNUJRWMTNQR-GRYCIOLGSA-N 2 0 242.363 1.116 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1OCCC1CC[NH2+]CC1 ZINC001217788018 971407593 /nfs/dbraw/zinc/40/75/93/971407593.db2.gz DEVPNCYNOXJQCK-DGCLKSJQSA-N 2 0 226.364 1.391 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1OC[C@H]1CCC[NH2+]C1 ZINC001217788931 971408580 /nfs/dbraw/zinc/40/85/80/971408580.db2.gz NRNIVDPJGDSMQJ-FRRDWIJNSA-N 2 0 226.364 1.391 20 0 BDADRP C[C@@H]1C[C@H](OCCCCCCC[NH3+])C[NH2+]1 ZINC001217789540 971408591 /nfs/dbraw/zinc/40/85/91/971408591.db2.gz PMNDWDDUWIBHMB-NEPJUHHUSA-N 2 0 214.353 1.663 20 0 BDADRP CCCCC[C@H](C)NC1(C[NH3+])COC1 ZINC001257501421 971420566 /nfs/dbraw/zinc/42/05/66/971420566.db2.gz HHGBEKONDZPTPO-JTQLQIEISA-N 2 0 200.326 1.273 20 0 BDADRP CCCCC[C@@H](C)[NH+]1CCN(CCC[NH3+])CC1 ZINC001257502937 971422494 /nfs/dbraw/zinc/42/24/94/971422494.db2.gz ZFOXOVNHUMOHKX-CQSZACIVSA-N 2 0 241.423 1.922 20 0 BDADRP CC[C@@H](C)C[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133040246 971438860 /nfs/dbraw/zinc/43/88/60/971438860.db2.gz HWNFELVYSIWULK-GFCCVEGCSA-N 2 0 243.395 1.080 20 0 BDADRP C[N@@H+]1CCCC[C@H]1CO[C@H]1CCC[NH2+]C1 ZINC001217859181 971452857 /nfs/dbraw/zinc/45/28/57/971452857.db2.gz FAEKVJQPGMFLMT-RYUDHWBXSA-N 2 0 212.337 1.239 20 0 BDADRP C(CC1CC[NH2+]CC1)O[C@H]1CCC[NH2+]C1 ZINC001217859186 971453261 /nfs/dbraw/zinc/45/32/61/971453261.db2.gz FAHVVFMZUJEJKF-LBPRGKRZSA-N 2 0 212.337 1.145 20 0 BDADRP C(O[C@@H]1CC[NH2+]C2(CCC2)C1)[C@H]1CCC[NH2+]C1 ZINC001217874471 971468082 /nfs/dbraw/zinc/46/80/82/971468082.db2.gz MCBYLMJXPPOORR-QWHCGFSZSA-N 2 0 238.375 1.677 20 0 BDADRP C[NH+](C)C1CC[NH+]([C@@H]2CCCSC2)CC1 ZINC001257668284 971470157 /nfs/dbraw/zinc/47/01/57/971470157.db2.gz OZBNAFZOEZNKFC-GFCCVEGCSA-N 2 0 228.405 1.908 20 0 BDADRP C[NH+](C)C1CC[NH+]([C@H]2CCCSC2)CC1 ZINC001257668285 971470817 /nfs/dbraw/zinc/47/08/17/971470817.db2.gz OZBNAFZOEZNKFC-LBPRGKRZSA-N 2 0 228.405 1.908 20 0 BDADRP C[C@H]1[NH2+]C[C@@H]1OCCCC1CC[NH2+]CC1 ZINC001217905793 971508970 /nfs/dbraw/zinc/50/89/70/971508970.db2.gz DDGLRMNEYKEVCH-PWSUYJOCSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H]1CC[C@H](OC[C@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001217909658 971510311 /nfs/dbraw/zinc/51/03/11/971510311.db2.gz GUXAXMXKIGPVPI-WOPDTQHZSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H]1[NH2+]C[C@H]1OCCCC1CC[NH2+]CC1 ZINC001217905791 971510423 /nfs/dbraw/zinc/51/04/23/971510423.db2.gz DDGLRMNEYKEVCH-CMPLNLGQSA-N 2 0 212.337 1.143 20 0 BDADRP C(O[C@H]1C[NH2+]CCC12CC2)[C@H]1CCC[NH2+]C1 ZINC001217910833 971511397 /nfs/dbraw/zinc/51/13/97/971511397.db2.gz BEFQLVSFXFXSQN-RYUDHWBXSA-N 2 0 224.348 1.145 20 0 BDADRP C(CO[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)CC1CC[NH2+]CC1 ZINC001217934801 971536037 /nfs/dbraw/zinc/53/60/37/971536037.db2.gz UTMSWPSZLARVJL-BFHYXJOUSA-N 2 0 238.375 1.676 20 0 BDADRP [NH3+]CCCCCCCO[C@@H]1CC[C@@H]2C[NH2+]C[C@H]12 ZINC001217934924 971536955 /nfs/dbraw/zinc/53/69/55/971536955.db2.gz AQOIEWHOXPAGRC-HZSPNIEDSA-N 2 0 240.391 1.910 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1OCCC1CC[NH2+]CC1 ZINC001217938334 971539401 /nfs/dbraw/zinc/53/94/01/971539401.db2.gz DEVPNCYNOXJQCK-YPMHNXCESA-N 2 0 226.364 1.391 20 0 BDADRP [NH3+]Cc1ccc(O[C@H]2CCC[NH2+]C[C@H]2F)cc1 ZINC001217949755 971541916 /nfs/dbraw/zinc/54/19/16/971541916.db2.gz LZGXWOCXUZRKJF-OLZOCXBDSA-N 2 0 238.306 1.614 20 0 BDADRP C[C@@H]([NH3+])c1ccc(O[C@H]2C[NH2+]CC[C@@H]2F)cc1 ZINC001217959841 971548646 /nfs/dbraw/zinc/54/86/46/971548646.db2.gz HXZROHDBFXJGND-ICCXJUOJSA-N 2 0 238.306 1.785 20 0 BDADRP [NH3+]C[C@@H](O)C[NH2+]C1CCC(c2ccccc2)CC1 ZINC001257987404 971548697 /nfs/dbraw/zinc/54/86/97/971548697.db2.gz QWAWIZWLZKKDPV-YMAMQOFZSA-N 2 0 248.370 1.622 20 0 BDADRP CC(C)C[NH+]1CCC(N(CC[NH3+])C(C)C)CC1 ZINC001258002394 971554037 /nfs/dbraw/zinc/55/40/37/971554037.db2.gz JIJXGCGZLPVPNP-UHFFFAOYSA-N 2 0 241.423 1.776 20 0 BDADRP CC(C)C[NH+]1CCC(n2nccc2C[NH3+])CC1 ZINC001258001115 971552801 /nfs/dbraw/zinc/55/28/01/971552801.db2.gz CHCHRNDKBCBUEK-UHFFFAOYSA-N 2 0 236.363 1.635 20 0 BDADRP CC(C)C[NH+]1CCC([NH2+]CC2(O)CC2)CC1 ZINC001258001296 971553173 /nfs/dbraw/zinc/55/31/73/971553173.db2.gz JHBXMODMVBVXBV-UHFFFAOYSA-N 2 0 226.364 1.221 20 0 BDADRP [NH3+]Cc1ccccc1O[C@@H]1C[NH2+]CCC[C@@H]1F ZINC001217978945 971559336 /nfs/dbraw/zinc/55/93/36/971559336.db2.gz FTCWWCULVPJXOJ-WCQYABFASA-N 2 0 238.306 1.614 20 0 BDADRP C[C@@H]1C[NH2+]CCC[C@@H]1Oc1ccc(C[NH3+])cc1 ZINC001217990122 971561127 /nfs/dbraw/zinc/56/11/27/971561127.db2.gz HGTXWKFTQMAQTG-RISCZKNCSA-N 2 0 234.343 1.912 20 0 BDADRP c1cc(O[C@H]2CCC[NH2+]CC2)cc2c1C[NH2+]C2 ZINC001217997870 971564385 /nfs/dbraw/zinc/56/43/85/971564385.db2.gz YOJRDDDCZLGLEP-ZDUSSCGKSA-N 2 0 232.327 1.811 20 0 BDADRP c1cc(O[C@@H]2CCC[NH2+]CC2)cc2c1C[NH2+]C2 ZINC001217997869 971564490 /nfs/dbraw/zinc/56/44/90/971564490.db2.gz YOJRDDDCZLGLEP-CYBMUJFWSA-N 2 0 232.327 1.811 20 0 BDADRP F[C@H]1C[NH2+]C[C@H]1Oc1ccc2c(c1)CC[NH2+]C2 ZINC001218000227 971566555 /nfs/dbraw/zinc/56/65/55/971566555.db2.gz SYRLOQJAXWAWGI-QWHCGFSZSA-N 2 0 236.290 1.021 20 0 BDADRP F[C@H]1C[NH2+]C[C@@H]1Oc1cccc2c1CC[NH2+]C2 ZINC001218015346 971567182 /nfs/dbraw/zinc/56/71/82/971567182.db2.gz PDMKKWQNDOQUFC-AAEUAGOBSA-N 2 0 236.290 1.021 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1Oc1ccc(C[NH3+])cc1 ZINC001218032198 971576555 /nfs/dbraw/zinc/57/65/55/971576555.db2.gz XSTZKEXLIJHEIN-SMDDNHRTSA-N 2 0 234.343 1.912 20 0 BDADRP Cn1ccc2c1cc[nH+]c2N1CC[NH2+]C2(CC2)C1 ZINC001158933081 971588258 /nfs/dbraw/zinc/58/82/58/971588258.db2.gz KFJFJKFCFVGVSO-UHFFFAOYSA-N 2 0 242.326 1.516 20 0 BDADRP [NH3+]Cc1cccc(O[C@@H]2CC[NH2+]C[C@@H]2F)c1 ZINC001218073682 971594205 /nfs/dbraw/zinc/59/42/05/971594205.db2.gz VQFSXQWQRGTADM-NWDGAFQWSA-N 2 0 224.279 1.224 20 0 BDADRP [NH3+]Cc1ccccc1O[C@H]1CC[C@]12CC[NH2+]C2 ZINC001218117786 971602644 /nfs/dbraw/zinc/60/26/44/971602644.db2.gz MOWXYPLRRKCKCL-UONOGXRCSA-N 2 0 232.327 1.666 20 0 BDADRP [NH3+]Cc1ccc(O[C@H]2CC[C@]23CC[NH2+]C3)cc1 ZINC001218126015 971604771 /nfs/dbraw/zinc/60/47/71/971604771.db2.gz XVDVMQAMYPBSQK-UONOGXRCSA-N 2 0 232.327 1.666 20 0 BDADRP C[C@@H]([NH3+])c1ccc(O[C@H]2[C@@H]3C[C@H]2C[NH2+]C3)cc1 ZINC001218150690 971607025 /nfs/dbraw/zinc/60/70/25/971607025.db2.gz PCIWQBQKWOSGST-WUWHUORYSA-N 2 0 232.327 1.693 20 0 BDADRP C[C@@H](Oc1cccc(C[NH3+])c1)C1C[NH2+]C1 ZINC001218198646 971623622 /nfs/dbraw/zinc/62/36/22/971623622.db2.gz OLBCKDVDBDLONN-SECBINFHSA-N 2 0 206.289 1.132 20 0 BDADRP c1cc(O[C@@H]2C[C@@H]3CC[NH2+][C@H]3C2)cc2c1C[NH2+]C2 ZINC001218253515 971649905 /nfs/dbraw/zinc/64/99/05/971649905.db2.gz XYFZWUBDZMKYJG-VQISRLSMSA-N 2 0 244.338 1.809 20 0 BDADRP CC1(C)[C@@H]2C[C@H](NC(=[NH2+])NCCCC[NH3+])C[C@@H]21 ZINC001170721021 971650247 /nfs/dbraw/zinc/65/02/47/971650247.db2.gz PSLTXHNAMVKXJK-JGPRNRPPSA-N 2 0 238.379 1.274 20 0 BDADRP CCC(=O)C(C)(C)C[N@H+]1CC[C@@H](F)[C@@H](N)CC1 ZINC001206156717 974331680 /nfs/dbraw/zinc/33/16/80/974331680.db2.gz SIBRLEPQOQWHRV-MNOVXSKESA-N 2 0 244.354 1.753 20 0 BDADRP Nc1cc(Nc2cccc(OCC[NH3+])c2)cc[nH+]1 ZINC001159114395 971694523 /nfs/dbraw/zinc/69/45/23/971694523.db2.gz YPKMBTPMZBFEMC-UHFFFAOYSA-N 2 0 244.298 1.745 20 0 BDADRP [NH3+]CCc1ccc(O[C@H]2C[NH2+]CC[C@H]2F)cc1 ZINC001218319756 971708605 /nfs/dbraw/zinc/70/86/05/971708605.db2.gz ZXXWKECARSKHLG-OLZOCXBDSA-N 2 0 238.306 1.267 20 0 BDADRP C[C@H]1[NH2+]C[C@@H]1Oc1ccc2c(c1)C[NH2+]C2 ZINC001218382699 971759663 /nfs/dbraw/zinc/75/96/63/971759663.db2.gz DJKZDZXISOXEIP-PELKAZGASA-N 2 0 204.273 1.029 20 0 BDADRP C[C@H]1[NH2+]C[C@@H]1Oc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC001218388176 971767053 /nfs/dbraw/zinc/76/70/53/971767053.db2.gz SALCZKHLIHJEDT-NZBQSGDWSA-N 2 0 218.300 1.240 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001172216849 974442119 /nfs/dbraw/zinc/44/21/19/974442119.db2.gz PRNIHIVUOSPLQM-GJHMDTBVSA-N 2 0 224.348 1.556 20 0 BDADRP C[C@H]1C[NH2+]CC[C@@H]1Oc1cccc(C[NH3+])c1 ZINC001218423720 971801291 /nfs/dbraw/zinc/80/12/91/971801291.db2.gz LWULHETZLOUTQM-GWCFXTLKSA-N 2 0 220.316 1.522 20 0 BDADRP c1cc2c(c(O[C@H]3[C@@H]4CC[C@H]3[NH2+]C4)c1)CC[NH2+]C2 ZINC001218441580 971819012 /nfs/dbraw/zinc/81/90/12/971819012.db2.gz GOFOYZAYTQAUBH-KYOSRNDESA-N 2 0 244.338 1.462 20 0 BDADRP [NH3+]Cc1cccc(O[C@@H]2CC[C@@H]3C[NH2+]C[C@H]23)c1 ZINC001218467996 971826234 /nfs/dbraw/zinc/82/62/34/971826234.db2.gz QPPYMKKUKGZSAU-KWCYVHTRSA-N 2 0 232.327 1.522 20 0 BDADRP CCOC(C)(C)C[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222526567 972543551 /nfs/dbraw/zinc/54/35/51/972543551.db2.gz CRXWOIZVXQCLDO-UHFFFAOYSA-N 2 0 232.343 1.564 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCC[C@@H]2O)CC1 ZINC000309955495 971893926 /nfs/dbraw/zinc/89/39/26/971893926.db2.gz IBBJBSNWCWHBDB-TUUUFIMRSA-N 2 0 226.364 1.362 20 0 BDADRP CC[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001135474339 971895634 /nfs/dbraw/zinc/89/56/34/971895634.db2.gz NNEKITRSIVKCGY-GFCCVEGCSA-N 2 0 243.395 1.079 20 0 BDADRP CN1CCC[C@@H]2C[N@@H+]([C@H]3CCCOCC3)C[C@@H]21 ZINC001170832577 971942086 /nfs/dbraw/zinc/94/20/86/971942086.db2.gz BFVQGSRYXSMNRK-RDBSUJKOSA-N 2 0 238.375 1.582 20 0 BDADRP Cc1ccc(F)cc1NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001218809777 971943873 /nfs/dbraw/zinc/94/38/73/971943873.db2.gz QCVHKUYKNFAQOY-SNVBAGLBSA-N 2 0 239.294 1.139 20 0 BDADRP [NH3+]C1(c2ccc(NC(=O)[C@@H]3CC[NH2+]3)cc2)CCC1 ZINC001218972085 971969758 /nfs/dbraw/zinc/96/97/58/971969758.db2.gz FTRKAUPEWAQTCT-LBPRGKRZSA-N 2 0 245.326 1.325 20 0 BDADRP CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@H+](C)CC ZINC001135860517 971982660 /nfs/dbraw/zinc/98/26/60/971982660.db2.gz CVYHYCBZLSPWOA-VXGBXAGGSA-N 2 0 243.395 1.221 20 0 BDADRP CCCC[C@H]([NH2+]C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC001219345635 972003323 /nfs/dbraw/zinc/00/33/23/972003323.db2.gz YDOJOHSHYDTHAC-ZDUSSCGKSA-N 2 0 249.358 1.862 20 0 BDADRP CCCNc1cc(C)[nH+]c(NCC[C@@H](C)[NH3+])n1 ZINC001170887344 972034950 /nfs/dbraw/zinc/03/49/50/972034950.db2.gz UGUUJPLWBNPYDY-SECBINFHSA-N 2 0 237.351 1.756 20 0 BDADRP C[C@@H]([NH3+])CCNc1cccc(C[NH+](C)C)n1 ZINC001170889980 972040393 /nfs/dbraw/zinc/04/03/93/972040393.db2.gz OZNXDKBEHSCKIU-SNVBAGLBSA-N 2 0 222.336 1.292 20 0 BDADRP C[C@@H]([NH3+])CCNc1ccc2c([nH+]1)NCCO2 ZINC001170891413 972045019 /nfs/dbraw/zinc/04/50/19/972045019.db2.gz YKAAGFVDGOJIAD-MRVPVSSYSA-N 2 0 222.292 1.035 20 0 BDADRP C[C@@H]([NH3+])CCNc1cccc(N2CC[NH2+]CC2)c1 ZINC001170891459 972046923 /nfs/dbraw/zinc/04/69/23/972046923.db2.gz ZWDIDDVZFSIBKH-GFCCVEGCSA-N 2 0 248.374 1.245 20 0 BDADRP Cc1cc2nc(N[C@@H]([NH3+])CCC[NH3+])ccc2[nH]1 ZINC001170897680 972053214 /nfs/dbraw/zinc/05/32/14/972053214.db2.gz ITHHZMGXSAVFEG-LLVKDONJSA-N 2 0 233.319 1.307 20 0 BDADRP Cc1cnc(N[C@@H]([NH3+])CCC[NH3+])c2[nH]ccc21 ZINC001170899599 972058224 /nfs/dbraw/zinc/05/82/24/972058224.db2.gz XJMWPMSIQXURSH-SNVBAGLBSA-N 2 0 233.319 1.307 20 0 BDADRP COc1cnc(N[C@H]([NH3+])CCC[NH3+])c2[nH]ccc21 ZINC001170898855 972061553 /nfs/dbraw/zinc/06/15/53/972061553.db2.gz QJYDDDAUXWZWHG-JTQLQIEISA-N 2 0 249.318 1.007 20 0 BDADRP Cn1cnc2ccc(N[C@H]([NH3+])CCC[NH3+])cc21 ZINC001170899739 972062730 /nfs/dbraw/zinc/06/27/30/972062730.db2.gz MBRJNXRYIHLHRF-LBPRGKRZSA-N 2 0 233.319 1.009 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1cncc(C(F)(F)F)c1 ZINC001170900531 972063018 /nfs/dbraw/zinc/06/30/18/972063018.db2.gz VLSUVYKFDRYCIW-SECBINFHSA-N 2 0 248.252 1.536 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc2c(c1)NC(=O)CC2 ZINC001170900572 972065127 /nfs/dbraw/zinc/06/51/27/972065127.db2.gz WMPDCAUKVDIKDF-LBPRGKRZSA-N 2 0 248.330 1.007 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccccc1-c1cnco1 ZINC001170900486 972066790 /nfs/dbraw/zinc/06/67/90/972066790.db2.gz VBTSAZFPDSNNMP-ZDUSSCGKSA-N 2 0 246.314 1.777 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC001170900983 972070883 /nfs/dbraw/zinc/07/08/83/972070883.db2.gz SNFWMOJDNFZBBQ-KBPBESRZSA-N 3 0 248.374 1.547 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1cccc2c1CCCO2 ZINC001170902061 972074704 /nfs/dbraw/zinc/07/47/04/972074704.db2.gz ANLXKJZIOPXNPL-ZDUSSCGKSA-N 2 0 235.331 1.447 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ncnc2cccc(F)c21 ZINC001159784910 972112470 /nfs/dbraw/zinc/11/24/70/972112470.db2.gz MBGIBXCKNFFRJN-SNVBAGLBSA-N 2 0 249.293 1.205 20 0 BDADRP C[C@](O)(C[NH2+][C@H]1CCCC[C@H]1[NH3+])c1ccccc1 ZINC001246019964 972116495 /nfs/dbraw/zinc/11/64/95/972116495.db2.gz QKYLPIANYPAFNP-ILXRZTDVSA-N 2 0 248.370 1.754 20 0 BDADRP CCCCC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246029020 972122665 /nfs/dbraw/zinc/12/26/65/972122665.db2.gz KUZZREQFALRXMS-RWMBFGLXSA-N 2 0 246.370 1.689 20 0 BDADRP CCSC[C@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC001246075667 972132595 /nfs/dbraw/zinc/13/25/95/972132595.db2.gz MHICDIRUOQDTDJ-JTQLQIEISA-N 2 0 216.394 1.989 20 0 BDADRP Cc1cnc(CC[NH2+][C@@H]2CC[NH2+][C@H](C)C2)nc1 ZINC001246080762 972133948 /nfs/dbraw/zinc/13/39/48/972133948.db2.gz JSRCWWVPUWBMSZ-VXGBXAGGSA-N 2 0 234.347 1.058 20 0 BDADRP C[C@H]([NH3+])c1nccn1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246078827 972134315 /nfs/dbraw/zinc/13/43/15/972134315.db2.gz BIGKSZWEHZGTTB-KXUCPTDWSA-N 2 0 208.309 1.216 20 0 BDADRP CC[N@@H+]1CC[C@H](NC[C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC001246079442 972134549 /nfs/dbraw/zinc/13/45/49/972134549.db2.gz FBKPHBFJRQBLID-UPJWGTAASA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@]1(CN[C@@H]2CCCC[NH2+]C2)CCCC[NH2+]C1 ZINC001246089866 972143391 /nfs/dbraw/zinc/14/33/91/972143391.db2.gz GZWVJPSZRSHOJO-ZIAGYGMSSA-N 2 0 239.407 1.498 20 0 BDADRP [NH3+]C1(C[NH2+][C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)CCCC1 ZINC001246085653 972140721 /nfs/dbraw/zinc/14/07/21/972140721.db2.gz UTGDYTYFJKDFEK-GDNZZTSVSA-N 2 0 236.359 1.605 20 0 BDADRP C[C@H]1CC[C@@H](n2c(C[NH3+])nc3ccccc32)C[NH2+]1 ZINC001246091907 972145588 /nfs/dbraw/zinc/14/55/88/972145588.db2.gz BBFBWSLLANIWTC-WDEREUQCSA-N 2 0 244.342 1.808 20 0 BDADRP C[NH2+]CC[C@@H](C)[NH2+]C[C@@]1(C)CCC[NH2+]CC1 ZINC001246095216 972150046 /nfs/dbraw/zinc/15/00/46/972150046.db2.gz OURPSTZQYXNEAK-OLZOCXBDSA-N 3 0 227.396 1.354 20 0 BDADRP COC1CCC([NH2+]C[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC001246109007 972172175 /nfs/dbraw/zinc/17/21/75/972172175.db2.gz IYMWEWCCQFKMTC-IWMBGFJWSA-N 2 0 240.391 1.922 20 0 BDADRP C(CC1CC[NH2+]CC1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246104007 972165740 /nfs/dbraw/zinc/16/57/40/972165740.db2.gz IEMORZQSNUJCBD-ZDUSSCGKSA-N 3 0 225.380 1.108 20 0 BDADRP C[NH2+]CCCN[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246111398 972175572 /nfs/dbraw/zinc/17/55/72/972175572.db2.gz JCLDKFLCKCCMSA-CYBMUJFWSA-N 2 0 239.407 1.640 20 0 BDADRP C[C@H](Cc1ccccn1)[NH2+]C[C@H]1C[NH2+]CC[C@@H]1C ZINC001246108600 972173741 /nfs/dbraw/zinc/17/37/41/972173741.db2.gz CNXWMXYSVDHHTH-BFHYXJOUSA-N 2 0 247.386 1.848 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+]C1CCOCC1 ZINC001246114351 972180555 /nfs/dbraw/zinc/18/05/55/972180555.db2.gz WASOESNIOFFHSZ-WDEREUQCSA-N 2 0 212.337 1.143 20 0 BDADRP CC[C@H](C)C[C@@H](C)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220240889 972185596 /nfs/dbraw/zinc/18/55/96/972185596.db2.gz QLWWHXMIOWVZQI-TUAOUCFPSA-N 2 0 243.395 1.384 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N[C@@H]1C[NH2+]CC12CC2 ZINC001246130690 972187440 /nfs/dbraw/zinc/18/74/40/972187440.db2.gz JDWVHHABCCVPSJ-QWHCGFSZSA-N 2 0 239.407 1.448 20 0 BDADRP CCCNC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001220235027 972190822 /nfs/dbraw/zinc/19/08/22/972190822.db2.gz WXFIEMMMHFKYOH-NSHDSACASA-N 2 0 229.368 1.008 20 0 BDADRP CC1(C)CC[C@@H]([NH2+][C@H]2C[NH2+]CC23CC3)C1 ZINC001246133508 972190850 /nfs/dbraw/zinc/19/08/50/972190850.db2.gz OCPIDJTZQMYZRG-MNOVXSKESA-N 2 0 208.349 1.907 20 0 BDADRP CC(C)N(CCC[NH3+])[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246170136 972202107 /nfs/dbraw/zinc/20/21/07/972202107.db2.gz HMZYMOAKQQUMHT-RYUDHWBXSA-N 2 0 213.369 1.186 20 0 BDADRP CC(C)([NH3+])CNc1[nH+]ccc2[nH]ccc21 ZINC001160024902 972205893 /nfs/dbraw/zinc/20/58/93/972205893.db2.gz GXZVVRCCDAWENV-UHFFFAOYSA-N 2 0 204.277 1.712 20 0 BDADRP CCCC[C@@H]1C[C@@H](NC[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC001246190779 972213537 /nfs/dbraw/zinc/21/35/37/972213537.db2.gz MQMKGKSHLDHIQY-RDBSUJKOSA-N 2 0 239.407 1.639 20 0 BDADRP CC(C)OCC[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001246198459 972215107 /nfs/dbraw/zinc/21/51/07/972215107.db2.gz PIIRAEHRVQQPQH-QWHCGFSZSA-N 2 0 228.380 1.779 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246231574 972237912 /nfs/dbraw/zinc/23/79/12/972237912.db2.gz NKYMGQZAHXTXQH-UPJWGTAASA-N 3 0 225.380 1.106 20 0 BDADRP CCN(CC[NH+](C)C)C[C@H]1CCC[N@H+](C)C1 ZINC001208603342 957086438 /nfs/dbraw/zinc/08/64/38/957086438.db2.gz BROIRMCBNQGKNR-ZDUSSCGKSA-N 2 0 227.396 1.212 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@](C)(O)C2)C1 ZINC001208606015 957091410 /nfs/dbraw/zinc/09/14/10/957091410.db2.gz DBPBNBUIAOEGTK-UONOGXRCSA-N 2 0 240.391 1.565 20 0 BDADRP CCC1([NH2+][C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)CNC1 ZINC001246238911 972245204 /nfs/dbraw/zinc/24/52/04/972245204.db2.gz WYOWPOVWYAZJJJ-CHWSQXEVSA-N 2 0 237.391 1.250 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cccc2c1OCC2 ZINC000692967655 957164952 /nfs/dbraw/zinc/16/49/52/957164952.db2.gz RZKISLSLFGDYKU-TZMCWYRMSA-N 2 0 246.354 1.839 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CCCc2cccnc2)CN1 ZINC001246240155 972246754 /nfs/dbraw/zinc/24/67/54/972246754.db2.gz PNPOWXLHMOXDMU-TZMCWYRMSA-N 2 0 233.359 1.744 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1CCC[NH2+]C1)C2 ZINC001246267457 972251569 /nfs/dbraw/zinc/25/15/69/972251569.db2.gz YRFSQOOUWGNXCT-YIYPIFLZSA-N 2 0 237.391 1.343 20 0 BDADRP COC1CC(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000705481736 957267218 /nfs/dbraw/zinc/26/72/18/957267218.db2.gz KRQZONJTCUDQFD-VOBJUBJWSA-N 2 0 212.337 1.142 20 0 BDADRP CC1(C)CCC[C@@H]1[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246283409 972255295 /nfs/dbraw/zinc/25/52/95/972255295.db2.gz BPKLBBXMULEHCN-RYUDHWBXSA-N 2 0 237.391 1.249 20 0 BDADRP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000075151065 957311797 /nfs/dbraw/zinc/31/17/97/957311797.db2.gz VXQRKWJZZGZNLG-NSHDSACASA-N 2 0 222.336 1.197 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCCCCCC[NH3+])CC[NH2+]1 ZINC001246305715 972267284 /nfs/dbraw/zinc/26/72/84/972267284.db2.gz IXLNGSUNLCMCLP-OLZOCXBDSA-N 3 0 227.396 1.626 20 0 BDADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC001220857734 972267377 /nfs/dbraw/zinc/26/73/77/972267377.db2.gz PWMTWXZLXCSAPI-RYUDHWBXSA-N 2 0 249.358 1.176 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246306155 972267580 /nfs/dbraw/zinc/26/75/80/972267580.db2.gz PRWXHXSFSJUIEC-RYUDHWBXSA-N 3 0 225.380 1.236 20 0 BDADRP CC(C)C[C@@](C)([NH3+])C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC001220859497 972267714 /nfs/dbraw/zinc/26/77/14/972267714.db2.gz ACKBYJRJIDXMJP-GXFFZTMASA-N 2 0 243.395 1.240 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246308635 972270871 /nfs/dbraw/zinc/27/08/71/972270871.db2.gz HCARCSHMQYXAAG-IHRRRGAJSA-N 2 0 241.423 1.726 20 0 BDADRP [NH3+]CCN1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000705891079 957536380 /nfs/dbraw/zinc/53/63/80/957536380.db2.gz VMRVQQPSJJKLDF-HUUCEWRRSA-N 2 0 245.370 1.009 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246311562 972273867 /nfs/dbraw/zinc/27/38/67/972273867.db2.gz PPXGJEKUMIAPDF-YIYPIFLZSA-N 2 0 239.407 1.623 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H](C)Cc1cccc(OC)c1 ZINC001246313710 972274980 /nfs/dbraw/zinc/27/49/80/972274980.db2.gz KKIKGDMNJCXTIF-AAEUAGOBSA-N 2 0 236.359 1.953 20 0 BDADRP [NH3+]Cc1cnc2c(ccn2-c2cc[nH+]cc2)c1 ZINC001167301614 957699705 /nfs/dbraw/zinc/69/97/05/957699705.db2.gz OZDJWNADOFCOST-UHFFFAOYSA-N 2 0 224.267 1.879 20 0 BDADRP C[C@H]([NH3+])CN1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000706582355 958032867 /nfs/dbraw/zinc/03/28/67/958032867.db2.gz JNHLRRMOIACJNI-ZDUSSCGKSA-N 2 0 245.370 1.151 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CCCNCCC[NH3+])C[C@@H]1C ZINC001246455074 972323643 /nfs/dbraw/zinc/32/36/43/972323643.db2.gz WREYYBAKFBUKSE-RDBSUJKOSA-N 2 0 241.423 1.729 20 0 BDADRP CCSC[C@@H](C)[N@H+](C)C[C@H](C)C[NH3+] ZINC000706965233 958313817 /nfs/dbraw/zinc/31/38/17/958313817.db2.gz WAUPCRCCAXJSSK-NXEZZACHSA-N 2 0 204.383 1.655 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCCC[C@H]2O)CC[NH2+]1 ZINC001246466533 972340401 /nfs/dbraw/zinc/34/04/01/972340401.db2.gz QUYNWLFFLMWFTM-QNWHQSFQSA-N 2 0 226.364 1.268 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000693398951 958362384 /nfs/dbraw/zinc/36/23/84/958362384.db2.gz QXDMHZUSDLMQCO-WISYIIOYSA-N 2 0 244.329 1.819 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C2CC3(C2)CCC[NH2+]C3)CC[NH2+]1 ZINC001246494097 972352239 /nfs/dbraw/zinc/35/22/39/972352239.db2.gz HJNSJLOKCBAMGR-IWMBGFJWSA-N 3 0 237.391 1.249 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CC[C@]3(CCOC3)C2)CC[NH2+]1 ZINC000707613290 958626587 /nfs/dbraw/zinc/62/65/87/958626587.db2.gz SEYXTVPMJVDDCI-UPJWGTAASA-N 2 0 224.348 1.239 20 0 BDADRP CC(C)C[C@@H](C[NH3+])N[C@H]1CC[NH2+][C@H](C)C1 ZINC001246504772 972365684 /nfs/dbraw/zinc/36/56/84/972365684.db2.gz SFPFZBIENINREH-WOPDTQHZSA-N 2 0 213.369 1.090 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C1(C)C ZINC000693543455 958738223 /nfs/dbraw/zinc/73/82/23/958738223.db2.gz JKOXNUGYRDOTSC-USZNOCQGSA-N 2 0 226.364 1.517 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000693548089 958763639 /nfs/dbraw/zinc/76/36/39/958763639.db2.gz ZPOQTQIHKWKFBK-BBBLOLIVSA-N 2 0 236.281 1.998 20 0 BDADRP CN(CC[NH3+])[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246522444 972378904 /nfs/dbraw/zinc/37/89/04/972378904.db2.gz CTDVBFZAGFLHPK-HUUCEWRRSA-N 2 0 247.386 1.240 20 0 BDADRP CC(C)(C)[C@@H]1C[C@H](N2CCC[NH2+]CC2)CC[NH2+]1 ZINC001246522873 972379502 /nfs/dbraw/zinc/37/95/02/972379502.db2.gz HFXVKUKHMIEFIP-OLZOCXBDSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]1CC[C@H](O)C[N@@H+]1CC(C)(C)C[NH+](C)C ZINC001207276106 958845059 /nfs/dbraw/zinc/84/50/59/958845059.db2.gz UKXJCMZFDRVJMC-NEPJUHHUSA-N 2 0 228.380 1.419 20 0 BDADRP C[C@H]1C[N@H+](CC(C)(C)C[NH+](C)C)CC[C@]1(C)O ZINC001207276452 958849749 /nfs/dbraw/zinc/84/97/49/958849749.db2.gz WWSPKQUPOVIIOX-JSGCOSHPSA-N 2 0 242.407 1.667 20 0 BDADRP C[NH+](C)CC(C)(C)CN1CC(C)([NH+](C)C)C1 ZINC001207283171 958873322 /nfs/dbraw/zinc/87/33/22/958873322.db2.gz VDZDTLLHFBSGHC-UHFFFAOYSA-N 2 0 227.396 1.210 20 0 BDADRP Cc1csc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)n1 ZINC000693591744 958904123 /nfs/dbraw/zinc/90/41/23/958904123.db2.gz LUHUNAVQFYCVCC-LPEHRKFASA-N 2 0 225.361 1.839 20 0 BDADRP C[NH2+]CCN(C)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246523544 972389025 /nfs/dbraw/zinc/38/90/25/972389025.db2.gz NMHPPKXHECPWKJ-UHFFFAOYSA-N 2 0 239.407 1.450 20 0 BDADRP Nc1[nH]c2ccc(-n3cccc3C[NH3+])cc2[nH+]1 ZINC001167593606 958994376 /nfs/dbraw/zinc/99/43/76/958994376.db2.gz VPTVXQQUYOKTNK-UHFFFAOYSA-N 2 0 227.271 1.395 20 0 BDADRP OCCCCC[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222231129 972415216 /nfs/dbraw/zinc/41/52/16/972415216.db2.gz JOLNQSNCFPICHI-ZDUSSCGKSA-N 2 0 226.364 1.367 20 0 BDADRP C[NH2+]CCC[NH+]1CCC(F)(C2CC2)CC1 ZINC000724805180 959313261 /nfs/dbraw/zinc/31/32/61/959313261.db2.gz UYLCPVQDTFIEDQ-UHFFFAOYSA-N 2 0 214.328 1.810 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCC1SCCS1 ZINC000693810803 959395769 /nfs/dbraw/zinc/39/57/69/959395769.db2.gz QGJMJSNIONMYJG-BDAKNGLRSA-N 2 0 246.445 1.898 20 0 BDADRP [NH3+][C@H]1C[C@H](NCC[NH+]2CCCCC2)C12CCC2 ZINC000405218059 959417517 /nfs/dbraw/zinc/41/75/17/959417517.db2.gz LFDMRAOXUGKMNK-STQMWFEESA-N 2 0 237.391 1.332 20 0 BDADRP CSC[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405327637 959439223 /nfs/dbraw/zinc/43/92/23/959439223.db2.gz VBSHWMXPAUYSSD-GUBZILKMSA-N 2 0 214.378 1.597 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](CO)C2)C12CCC2 ZINC000405352523 959444624 /nfs/dbraw/zinc/44/46/24/959444624.db2.gz PCEANYXAYULYKA-LPWJVIDDSA-N 2 0 238.375 1.397 20 0 BDADRP C[NH2+]CCCN1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222265507 972431705 /nfs/dbraw/zinc/43/17/05/972431705.db2.gz VHFOKNUTTBDSMW-CYBMUJFWSA-N 2 0 225.380 1.062 20 0 BDADRP CC[C@H]([NH3+])CN1CCC[C@]12CCC[NH2+]CC2 ZINC001222309177 972437623 /nfs/dbraw/zinc/43/76/23/972437623.db2.gz MSWJNEPKUMLLJV-STQMWFEESA-N 2 0 225.380 1.332 20 0 BDADRP [NH3+]CCCCCCN1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222346804 972440684 /nfs/dbraw/zinc/44/06/84/972440684.db2.gz SZETYPHNJAUDRX-AWEZNQCLSA-N 2 0 239.407 1.724 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCCC(C)(C)CO)CC[NH2+]1 ZINC000709334051 959631760 /nfs/dbraw/zinc/63/17/60/959631760.db2.gz XBJYIOGQJOSSJM-VXGBXAGGSA-N 2 0 228.380 1.515 20 0 BDADRP C[C@@]1([NH3+])CCN(C2CC[NH+](CC3CC3)CC2)C1 ZINC001246532208 972449736 /nfs/dbraw/zinc/44/97/36/972449736.db2.gz VWPJUVYMVUALFC-CQSZACIVSA-N 2 0 237.391 1.284 20 0 BDADRP C[C@@H]1CC[C@@H](OC[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001217914347 959750509 /nfs/dbraw/zinc/75/05/09/959750509.db2.gz YVOGAXODRBGOGZ-FDYHWXHSSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@H]1OC[C@H]1CCC[NH2+]C1 ZINC001217915937 959750616 /nfs/dbraw/zinc/75/06/16/959750616.db2.gz BEFHHCOTDVFTSF-GRYCIOLGSA-N 2 0 212.337 1.001 20 0 BDADRP [NH3+]Cc1cccc(O[C@@H]2CCC[NH2+]C[C@@H]2F)c1 ZINC001217948010 959795562 /nfs/dbraw/zinc/79/55/62/959795562.db2.gz LIHJXXCPOBPUMW-QWHCGFSZSA-N 2 0 238.306 1.614 20 0 BDADRP [NH3+]Cc1cccc(O[C@H]2CCC[NH2+]C[C@@H]2F)c1 ZINC001217948032 959795930 /nfs/dbraw/zinc/79/59/30/959795930.db2.gz LIHJXXCPOBPUMW-STQMWFEESA-N 2 0 238.306 1.614 20 0 BDADRP COC1(C)CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000309253678 959810364 /nfs/dbraw/zinc/81/03/64/959810364.db2.gz AQDXEFASHSZUTB-UHFFFAOYSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H]1C[C@@H](Oc2ccc3c(c2)C[NH2+]C3)CC[NH2+]1 ZINC001218058754 959851369 /nfs/dbraw/zinc/85/13/69/959851369.db2.gz YXZXJTQZFQTUCQ-YGRLFVJLSA-N 2 0 232.327 1.809 20 0 BDADRP CCOC1CCC([N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)CC1 ZINC000708829301 959859972 /nfs/dbraw/zinc/85/99/72/959859972.db2.gz BPBITFYATNYISS-MRFVTOPCSA-N 2 0 240.391 1.861 20 0 BDADRP c1cc(O[C@@H]2CCC3(C[NH2+]C3)C2)cc2c1C[NH2+]C2 ZINC001218235944 959907805 /nfs/dbraw/zinc/90/78/05/959907805.db2.gz VLRHAHOYUUDSPY-CQSZACIVSA-N 2 0 244.338 1.811 20 0 BDADRP [NH3+]Cc1cccc(O[C@@H]2C[C@H]3C[NH2+]C[C@@H]32)c1 ZINC001218330883 959983599 /nfs/dbraw/zinc/98/35/99/959983599.db2.gz OXLMVLWYZJIYGM-WCFLWFBJSA-N 2 0 218.300 1.132 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@]2(C)CCC[NH2+]C2)C[C@H](C)O1 ZINC000694851565 960015183 /nfs/dbraw/zinc/01/51/83/960015183.db2.gz KOBDBRHKSAIDMH-HZSPNIEDSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1CC[C@H](Oc2ccc3c(c2)C[NH2+]C3)C[NH2+]1 ZINC001218409952 960067177 /nfs/dbraw/zinc/06/71/77/960067177.db2.gz ZLNVAZFNWFPKNI-YGRLFVJLSA-N 2 0 232.327 1.809 20 0 BDADRP OC[C@H]1CCCCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000695184596 960148533 /nfs/dbraw/zinc/14/85/33/960148533.db2.gz JWVTUVFOLJHILO-CQSZACIVSA-N 2 0 240.391 1.613 20 0 BDADRP CC1(C)[C@H]([NH2+]C[C@H]2CCCO2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925502621 960215893 /nfs/dbraw/zinc/21/58/93/960215893.db2.gz MJKVLGJZSSXZSG-FVCCEPFGSA-N 2 0 238.375 1.532 20 0 BDADRP COC1CC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000709306193 960495679 /nfs/dbraw/zinc/49/56/79/960495679.db2.gz SAXWMQVGPYXYCD-FMNWTUGISA-N 2 0 224.348 1.284 20 0 BDADRP CC(C)CCC[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222491928 972519166 /nfs/dbraw/zinc/51/91/66/972519166.db2.gz KLEATZPBGJFPRW-KBPBESRZSA-N 2 0 239.407 1.448 20 0 BDADRP CC1(C)C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000709490968 960619816 /nfs/dbraw/zinc/61/98/16/960619816.db2.gz KMFIZCBHBNFGAP-DAAZQVBGSA-N 2 0 238.375 1.817 20 0 BDADRP C[C@H]1C[C@@H](O)CC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709488512 960620198 /nfs/dbraw/zinc/62/01/98/960620198.db2.gz BHCTVOQGKBFTNM-UVYIHGJDSA-N 2 0 224.348 1.115 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@](C)(O)CC2)CC[NH2+]1 ZINC000709492795 960628554 /nfs/dbraw/zinc/62/85/54/960628554.db2.gz CPLOXASMGQDDCM-UPJWGTAASA-N 2 0 226.364 1.364 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC[NH2+]1 ZINC000925701058 960688748 /nfs/dbraw/zinc/68/87/48/960688748.db2.gz UZTRVTUIQFFXNL-XQHKEYJVSA-N 2 0 239.407 1.623 20 0 BDADRP Cc1ncoc1C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001141053740 960848730 /nfs/dbraw/zinc/84/87/30/960848730.db2.gz OCHCMRUVVDFEAI-UHFFFAOYSA-N 2 0 235.331 1.511 20 0 BDADRP c1[nH]nc2c1[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)CCC2 ZINC000423487683 960881048 /nfs/dbraw/zinc/88/10/48/960881048.db2.gz UNXHTFODMZRDPS-YPMHNXCESA-N 2 0 248.374 1.909 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)Nc1ccc(C[NH3+])cc1 ZINC001343475526 961377783 /nfs/dbraw/zinc/37/77/83/961377783.db2.gz ZROPESOPNQJODS-ZYHUDNBSSA-N 2 0 247.342 1.329 20 0 BDADRP C[N@@H+]1CCCN(CC[NH2+][C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167902330 961657852 /nfs/dbraw/zinc/65/78/52/961657852.db2.gz FGFNVXJZDZEYQF-BTTYYORXSA-N 2 0 237.391 1.012 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)CO1 ZINC000401940098 961679850 /nfs/dbraw/zinc/67/98/50/961679850.db2.gz OHHZNYJWYBPVAV-WDEREUQCSA-N 2 0 200.326 1.095 20 0 BDADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C[C@H]1CCC[NH2+]1 ZINC000300422946 961892893 /nfs/dbraw/zinc/89/28/93/961892893.db2.gz MQLKFVLYDRJFJP-KGLIPLIRSA-N 2 0 239.407 1.545 20 0 BDADRP CCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000710718794 962447894 /nfs/dbraw/zinc/44/78/94/962447894.db2.gz NUVJJIHKNKKLHE-PBWFPOADSA-N 2 0 237.391 1.297 20 0 BDADRP Cc1ccc(N[C@@H]2COCCC23C[NH2+]C3)[nH+]c1C ZINC001155461744 963083250 /nfs/dbraw/zinc/08/32/50/963083250.db2.gz MBSLVYWFAXIEAO-GFCCVEGCSA-N 2 0 247.342 1.489 20 0 BDADRP COc1cc[nH+]c(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC001155583545 963118287 /nfs/dbraw/zinc/11/82/87/963118287.db2.gz MGXJJSAHIUWMPT-USWWRNFRSA-N 2 0 233.315 1.500 20 0 BDADRP C[N@@H+]1CC[C@H](Nc2cc3[nH]ccc3c[nH+]2)C1 ZINC001156576332 963393307 /nfs/dbraw/zinc/39/33/07/963393307.db2.gz VWYLVGIFOZYVKY-JTQLQIEISA-N 2 0 216.288 1.679 20 0 BDADRP Cc1c[nH+]c(NC2(C)CC[NH2+]CC2)c(N)c1 ZINC001157403848 963598898 /nfs/dbraw/zinc/59/88/98/963598898.db2.gz XHEZQYUJZXEUJX-UHFFFAOYSA-N 2 0 220.320 1.526 20 0 BDADRP CCC[N@H+](CCC[NH3+])[C@H]1CCO[C@@H](C)C1 ZINC001168074095 963608645 /nfs/dbraw/zinc/60/86/45/963608645.db2.gz HCVJKZVKMHEISD-RYUDHWBXSA-N 2 0 214.353 1.615 20 0 BDADRP Cn1ccc2c1cc[nH+]c2N[C@H]1C[NH2+]CC[C@H]1F ZINC001157447470 963609094 /nfs/dbraw/zinc/60/90/94/963609094.db2.gz FFTWLUMNCYMZGF-MNOVXSKESA-N 2 0 248.305 1.685 20 0 BDADRP C[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)CCO1 ZINC001168090298 963679744 /nfs/dbraw/zinc/67/97/44/963679744.db2.gz CCKIGEUUJNGVEG-BJDJZHNGSA-N 2 0 212.337 1.413 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH3+])CCO1 ZINC001168090167 963681284 /nfs/dbraw/zinc/68/12/84/963681284.db2.gz BFWMPMUNXKSAAL-RISCZKNCSA-N 2 0 234.343 1.802 20 0 BDADRP CCC[NH+]1C[C@H]2CN(c3cc(N)cc[nH+]3)C[C@@H]2C1 ZINC001157690944 963703381 /nfs/dbraw/zinc/70/33/81/963703381.db2.gz SRPAUHOPFUBIKG-RYUDHWBXSA-N 2 0 246.358 1.442 20 0 BDADRP Cc1cnc(N2CCC[C@@H]([NH3+])[C@H]2C)c(C[NH3+])c1 ZINC001157741812 963713750 /nfs/dbraw/zinc/71/37/50/963713750.db2.gz AQEYODXQXHWZDL-ZYHUDNBSSA-N 2 0 234.347 1.165 20 0 BDADRP CCOc1cc[nH+]c(N2CC[C@](F)(C[NH3+])C2)c1 ZINC001157812537 963733396 /nfs/dbraw/zinc/73/33/96/963733396.db2.gz CGEQSEZYCNSRAX-LBPRGKRZSA-N 2 0 239.294 1.357 20 0 BDADRP CC1CC(N(C)C(=O)C[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001157874700 963753017 /nfs/dbraw/zinc/75/30/17/963753017.db2.gz QDUHVEDOUGIFEF-CXQJBGSLSA-N 2 0 241.379 1.090 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)CCO1 ZINC001168139377 963842842 /nfs/dbraw/zinc/84/28/42/963842842.db2.gz SDWMYLZXZGZXJN-MGPQQGTHSA-N 2 0 238.375 1.582 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)CCO1 ZINC001168139374 963843460 /nfs/dbraw/zinc/84/34/60/963843460.db2.gz SDWMYLZXZGZXJN-HZSPNIEDSA-N 2 0 238.375 1.582 20 0 BDADRP Cc1c[nH+]c(N2CCC[C@](C)(C[NH3+])C2)c(N)c1 ZINC001158678479 963899777 /nfs/dbraw/zinc/89/97/77/963899777.db2.gz JRDOEYRHAIWTDY-CYBMUJFWSA-N 2 0 234.347 1.537 20 0 BDADRP Cc1cnc(-n2ccc(C[NH3+])c2)c(C[NH3+])c1 ZINC001158766476 963918626 /nfs/dbraw/zinc/91/86/26/963918626.db2.gz FDVJLENWEVAAFQ-UHFFFAOYSA-N 2 0 216.288 1.098 20 0 BDADRP CC1CCC(NC(=[NH2+])SCC[NH3+])CC1 ZINC001168201454 963966306 /nfs/dbraw/zinc/96/63/06/963966306.db2.gz WTPYBQQGDZHNDM-UHFFFAOYSA-N 2 0 215.366 1.781 20 0 BDADRP c1cc2c[nH+]c(N3CCC4(C[NH2+]C4)CC3)cc2[nH]1 ZINC001159042330 963980586 /nfs/dbraw/zinc/98/05/86/963980586.db2.gz SPOLONJWEISGQA-UHFFFAOYSA-N 2 0 242.326 1.753 20 0 BDADRP F[C@@H]1CC[NH2+]C[C@@H]1Nc1ccc2c(c1)C[NH2+]C2 ZINC001168226746 964005466 /nfs/dbraw/zinc/00/54/66/964005466.db2.gz OWZLFDWDVIHVGF-OLZOCXBDSA-N 2 0 235.306 1.402 20 0 BDADRP Cc1[nH+]c(NCC2C[NH+](C)C2)cc2[nH]ccc21 ZINC001159220138 964024125 /nfs/dbraw/zinc/02/41/25/964024125.db2.gz RURRBCUKXOJUOC-UHFFFAOYSA-N 2 0 230.315 1.845 20 0 BDADRP COc1ccc2c(c1)C[C@@H]([N@H+](C)C[C@H](C)C[NH3+])C2 ZINC001168245324 964053101 /nfs/dbraw/zinc/05/31/01/964053101.db2.gz WRQWEKDRFNNRFM-RISCZKNCSA-N 2 0 248.370 1.689 20 0 BDADRP C[C@@H]([NH3+])CCNc1cc(N(C)C)cc[nH+]1 ZINC001159772866 964186200 /nfs/dbraw/zinc/18/62/00/964186200.db2.gz NYZLPGFHRFDHGC-SECBINFHSA-N 2 0 208.309 1.297 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc2c(n1)CCCC2 ZINC001159784928 964194838 /nfs/dbraw/zinc/19/48/38/964194838.db2.gz MOFIBEWHTWXUAT-LBPRGKRZSA-N 2 0 234.347 1.396 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ncnc2c(F)cccc12 ZINC001159783641 964197227 /nfs/dbraw/zinc/19/72/27/964197227.db2.gz FEAWSDVIOPKSFH-SNVBAGLBSA-N 2 0 249.293 1.205 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1cc2ccccc2nn1 ZINC001159783091 964197413 /nfs/dbraw/zinc/19/74/13/964197413.db2.gz BEAUPYRMOZQGFQ-LLVKDONJSA-N 2 0 231.303 1.065 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1nccc2c(F)cccc21 ZINC001159786159 964198670 /nfs/dbraw/zinc/19/86/70/964198670.db2.gz WLMNLEBHIIVHRI-LBPRGKRZSA-N 2 0 248.305 1.810 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1nccc2ccc(F)cc21 ZINC001159786014 964202472 /nfs/dbraw/zinc/20/24/72/964202472.db2.gz VLOFGUQDZPLZCU-LBPRGKRZSA-N 2 0 248.305 1.810 20 0 BDADRP [NH3+][C@@H]1Cc2ccc(NC3=C[NH2+]CCC3)cc2C1 ZINC001159832218 964208267 /nfs/dbraw/zinc/20/82/67/964208267.db2.gz GEAHKDQPNQGIGU-GFCCVEGCSA-N 2 0 229.327 1.749 20 0 BDADRP C[C@@H]([NH3+])c1cccc(C(=O)N2CCC([NH3+])CC2)c1 ZINC001160523107 964320617 /nfs/dbraw/zinc/32/06/17/964320617.db2.gz SYZWRVYNBGLDEA-SNVBAGLBSA-N 2 0 247.342 1.270 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@@H]2C[C@H]2F)CC1 ZINC001168298474 964386230 /nfs/dbraw/zinc/38/62/30/964386230.db2.gz WIVVZTBGNCCKIX-JPPWEJMLSA-N 2 0 200.301 1.559 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2CC[C@@](C)(CO)C2)CC1 ZINC001168313412 964420575 /nfs/dbraw/zinc/42/05/75/964420575.db2.gz BUZDFCPUCLBNSM-JXQTWKCFSA-N 2 0 240.391 1.564 20 0 BDADRP C[C@@H]1CC[C@H](O)C[N@@H+]1C1CCC([NH+](C)C)CC1 ZINC001168315055 964426040 /nfs/dbraw/zinc/42/60/40/964426040.db2.gz QHVSDENOZYXEBG-RYSNWHEDSA-N 2 0 240.391 1.704 20 0 BDADRP C[NH+](C)C1CCC(N2CC[N@@H+]3CC[C@H]3C2)CC1 ZINC001168328654 964459212 /nfs/dbraw/zinc/45/92/12/964459212.db2.gz AVIAYXDLZFVQGW-RUXDESIVSA-N 2 0 237.391 1.249 20 0 BDADRP C[NH+](C)C1CCC([N@H+](C)[C@H]2CCCOC2)CC1 ZINC001168330201 964464337 /nfs/dbraw/zinc/46/43/37/964464337.db2.gz NEXMNAKVXURTKV-RUXDESIVSA-N 2 0 240.391 1.970 20 0 BDADRP C[C@@H](CC[NH2+][C@H]1CCCOC1)[NH+](C)C ZINC000697868666 964593581 /nfs/dbraw/zinc/59/35/81/964593581.db2.gz CKBDQJSXAUQJJZ-QWRGUYRKSA-N 2 0 200.326 1.095 20 0 BDADRP C[C@H](CC[NH2+][C@@H]1CS[C@H](C)C1)[NH+](C)C ZINC000697872917 964599946 /nfs/dbraw/zinc/59/99/46/964599946.db2.gz SETARAPDQSRLIY-MXWKQRLJSA-N 2 0 216.394 1.810 20 0 BDADRP C[C@H](CC[NH2+]CC[C@@H]1CCOC1)[NH+](C)C ZINC000697874495 964599960 /nfs/dbraw/zinc/59/99/60/964599960.db2.gz ZHGVEVUPQNSRKQ-VXGBXAGGSA-N 2 0 214.353 1.343 20 0 BDADRP C[NH+](C)CCNc1ccc2c(c1)C[NH2+]C2 ZINC001161669038 964673288 /nfs/dbraw/zinc/67/32/88/964673288.db2.gz WMMIYQVPCBHHMY-UHFFFAOYSA-N 2 0 205.305 1.263 20 0 BDADRP C[C@H](CCN[C@@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000697909221 964675646 /nfs/dbraw/zinc/67/56/46/964675646.db2.gz OPBZYSCCGWPZIU-FRRDWIJNSA-N 2 0 227.396 1.399 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCN(C)C1)C1CC[NH+](C)CC1 ZINC000042545370 964827224 /nfs/dbraw/zinc/82/72/24/964827224.db2.gz QDIKSJKPYLOFQK-WCQYABFASA-N 2 0 225.380 1.010 20 0 BDADRP Cc1cc(C)[nH+]c(NC[C@H]2C[NH2+]CC(C)(C)O2)c1 ZINC001161951046 964833519 /nfs/dbraw/zinc/83/35/19/964833519.db2.gz UWIZVQVAKUVDSP-GFCCVEGCSA-N 2 0 249.358 1.877 20 0 BDADRP [NH3+]CCCC[NH2+]CCCNc1ncccc1F ZINC001162289013 964913471 /nfs/dbraw/zinc/91/34/71/964913471.db2.gz CXZOBVBKTOSFIG-UHFFFAOYSA-N 2 0 240.326 1.351 20 0 BDADRP CN(CC[NH+](C)C)C1CC[NH+](CC2CC2)CC1 ZINC001168370874 964932905 /nfs/dbraw/zinc/93/29/05/964932905.db2.gz HHLJQUJWFXDZNI-UHFFFAOYSA-N 2 0 239.407 1.354 20 0 BDADRP CO[C@H](C)C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000167053847 964939882 /nfs/dbraw/zinc/93/98/82/964939882.db2.gz FTHPECVVFVDSKA-VXGBXAGGSA-N 2 0 214.353 1.341 20 0 BDADRP Nc1ccc(N[C@@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC001162402240 964958525 /nfs/dbraw/zinc/95/85/25/964958525.db2.gz PLPNOJYLDSSTDA-RKDXNWHRSA-N 2 0 206.293 1.346 20 0 BDADRP Nc1ccc(N[C@@H]2CCC[C@H]([NH3+])C2)cn1 ZINC001162402237 964958543 /nfs/dbraw/zinc/95/85/43/964958543.db2.gz PLPNOJYLDSSTDA-DTWKUNHWSA-N 2 0 206.293 1.346 20 0 BDADRP [NH3+][C@H]1CCC[C@H](Nc2ccc3c([nH+]2)NCCO3)C1 ZINC001162404532 964962799 /nfs/dbraw/zinc/96/27/99/964962799.db2.gz NZFDAHVNQPMNOM-UWVGGRQHSA-N 2 0 248.330 1.568 20 0 BDADRP CC1C[NH+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168372893 964974754 /nfs/dbraw/zinc/97/47/54/964974754.db2.gz NKUHCZKNHOMNJC-UHFFFAOYSA-N 2 0 208.349 1.813 20 0 BDADRP C/C=C(\NC=[NH2+])NC[C@@H]1CCC[NH2+]C[C@@H]1C ZINC001162455329 964984560 /nfs/dbraw/zinc/98/45/60/964984560.db2.gz RUXBAHGDXVUONV-QVPDPEPJSA-N 2 0 224.352 1.270 20 0 BDADRP [NH3+]CCc1ccccc1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001162477377 964991612 /nfs/dbraw/zinc/99/16/12/964991612.db2.gz ISNFCQBLIMLOQT-RYUDHWBXSA-N 2 0 237.322 1.300 20 0 BDADRP [NH3+][C@@H]1CCc2c1cccc2NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001162482075 964994529 /nfs/dbraw/zinc/99/45/29/964994529.db2.gz ZTJVWZLBKBBMLY-OUJBWJOFSA-N 2 0 249.333 1.745 20 0 BDADRP [NH3+]Cc1ccnn1-c1cccc2c1CC[C@@H]2[NH3+] ZINC001162597030 965070346 /nfs/dbraw/zinc/07/03/46/965070346.db2.gz ATLFWIZFHMHRDS-LBPRGKRZSA-N 2 0 228.299 1.277 20 0 BDADRP C[C@H]1[NH2+]CC[C@H]1Nc1ccc(C2([NH3+])CC2)cc1 ZINC001162677508 965109249 /nfs/dbraw/zinc/10/92/49/965109249.db2.gz LNPHNTDTSXPKCQ-ZWNOBZJWSA-N 2 0 231.343 1.797 20 0 BDADRP C[C@H]1[NH2+]CC[C@H]1Nc1ccccc1CC[NH3+] ZINC001162675962 965109606 /nfs/dbraw/zinc/10/96/06/965109606.db2.gz JLYYSVVFPVKZLB-ZYHUDNBSSA-N 2 0 219.332 1.350 20 0 BDADRP C[C@H]1[NH2+]CC[C@H]1Nc1ccc2[nH]c(N)[nH+]c2c1 ZINC001162678180 965113303 /nfs/dbraw/zinc/11/33/03/965113303.db2.gz ZSRQORPCJAHCKO-VXNVDRBHSA-N 2 0 231.303 1.307 20 0 BDADRP CN(C)c1cccc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)[nH+]1 ZINC001162791068 965173965 /nfs/dbraw/zinc/17/39/65/965173965.db2.gz YVGXQOQLLRQGFQ-IJLUTSLNSA-N 2 0 244.342 1.334 20 0 BDADRP [NH3+][C@H]1COC[C@H]1Nc1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC001162925104 965210576 /nfs/dbraw/zinc/21/05/76/965210576.db2.gz MXBAJZNACXJQGV-MELADBBJSA-N 2 0 247.342 1.249 20 0 BDADRP C/C=C(\NC=[NH2+])N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001163220104 965310070 /nfs/dbraw/zinc/31/00/70/965310070.db2.gz MBMAGMKCOWAQLS-GVPJCDSFSA-N 2 0 236.344 1.540 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCc2cc(F)ccc2C1 ZINC001168414298 965319898 /nfs/dbraw/zinc/31/98/98/965319898.db2.gz DOBFOGKIKFJUOT-QMTHXVAHSA-N 2 0 236.334 1.867 20 0 BDADRP [NH3+]C1(CNc2cc(N3CCCC3)cc[nH+]2)CCC1 ZINC001163326433 965334159 /nfs/dbraw/zinc/33/41/59/965334159.db2.gz BAVLREMUIIAVSG-UHFFFAOYSA-N 2 0 246.358 1.975 20 0 BDADRP [NH3+]Cc1ccnc(N[C@H]2C[NH+]3CCC2CC3)c1 ZINC001163380819 965383049 /nfs/dbraw/zinc/38/30/49/965383049.db2.gz GRRHWYSTBYBDAI-LBPRGKRZSA-N 2 0 232.331 1.046 20 0 BDADRP Cc1ccc(N[C@H]2C[NH+]3CCC2CC3)[nH+]c1N ZINC001163386384 965389286 /nfs/dbraw/zinc/38/92/86/965389286.db2.gz RCCQPMHMMJOWDG-NSHDSACASA-N 2 0 232.331 1.478 20 0 BDADRP CC[N@H+](CCn1cccn1)CC1CC[NH2+]CC1 ZINC000094024966 965389744 /nfs/dbraw/zinc/38/97/44/965389744.db2.gz CRBPCNLLUFHZMF-UHFFFAOYSA-N 2 0 236.363 1.205 20 0 BDADRP C[C@H](C[NH+](C)C)Nc1ccc2[nH]c(N)[nH+]c2c1 ZINC001163777642 965583169 /nfs/dbraw/zinc/58/31/69/965583169.db2.gz XUABDIUWEUPMFP-MRVPVSSYSA-N 2 0 233.319 1.507 20 0 BDADRP CO[C@H]1C[C@@H](C[NH+]2CCC(C)([NH3+])CC2)C1 ZINC000721969707 965654413 /nfs/dbraw/zinc/65/44/13/965654413.db2.gz CYHYTGDPSFFZIV-PHIMTYICSA-N 2 0 212.337 1.225 20 0 BDADRP Cc1cc(C[NH3+])nn1-c1cccc2c1C[NH2+]CC2 ZINC001163985528 965677586 /nfs/dbraw/zinc/67/75/86/965677586.db2.gz WEAUSNMZSLGQBW-UHFFFAOYSA-N 2 0 242.326 1.285 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@@H]([NH3+])CC2)CC1 ZINC001205093701 965719191 /nfs/dbraw/zinc/71/91/91/965719191.db2.gz FBTCYTGNAJYQEL-CQSZACIVSA-N 3 0 239.407 1.532 20 0 BDADRP Cc1ccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)[nH]1 ZINC001205095388 965740054 /nfs/dbraw/zinc/74/00/54/965740054.db2.gz XLTVLVNHFMQAIH-NSHDSACASA-N 2 0 207.321 1.636 20 0 BDADRP [NH3+][C@H]1CCC[N@H+](Cc2cccc3c2CCN3)CC1 ZINC001205124085 965887866 /nfs/dbraw/zinc/88/78/66/965887866.db2.gz KCORMVYIABXDSG-ZDUSSCGKSA-N 2 0 245.370 1.968 20 0 BDADRP C[C@H]1CC[C@H](C[NH3+])CN1c1cc(N)cc[nH+]1 ZINC001164456341 965890962 /nfs/dbraw/zinc/89/09/62/965890962.db2.gz LCNMCLWTYQVLGN-VHSXEESVSA-N 2 0 220.320 1.227 20 0 BDADRP COc1ccccc1CC[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205131191 965936250 /nfs/dbraw/zinc/93/62/50/965936250.db2.gz SSZZIBZUWIFGTI-GXTWGEPZSA-N 2 0 248.370 1.764 20 0 BDADRP CC[C@H]1COC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000699555687 965974168 /nfs/dbraw/zinc/97/41/68/965974168.db2.gz CRMJUSWVZDMYTN-APYLGABCSA-N 2 0 238.375 1.626 20 0 BDADRP C(C1CCCCC1)[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235056281 965998272 /nfs/dbraw/zinc/99/82/72/965998272.db2.gz XKGOQCCUNUTHAG-CQSZACIVSA-N 2 0 237.391 1.204 20 0 BDADRP CCCCCC[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235051939 965999065 /nfs/dbraw/zinc/99/90/65/965999065.db2.gz CVTQVSIAKXTKDO-CYBMUJFWSA-N 2 0 225.380 1.204 20 0 BDADRP Cc1c[nH+]c(N2CC[C@]3(C2)CCC[NH2+]C3)c(N)c1 ZINC001165238421 966002010 /nfs/dbraw/zinc/00/20/10/966002010.db2.gz AGHSRHHGPVRBOY-CQSZACIVSA-N 2 0 246.358 1.552 20 0 BDADRP Cc1c[nH+]c(N2CCC(F)(C[NH3+])CC2)cc1C ZINC001165263620 966012616 /nfs/dbraw/zinc/01/26/16/966012616.db2.gz GWACKOYCGDIECN-UHFFFAOYSA-N 2 0 237.322 1.966 20 0 BDADRP CN(Cc1cccc(C[NH3+])c1)[C@H]1CCC[NH2+]C1 ZINC001235347510 966045720 /nfs/dbraw/zinc/04/57/20/966045720.db2.gz PHHJKQBNAGPNFR-AWEZNQCLSA-N 2 0 233.359 1.329 20 0 BDADRP Cn1ccc2c1cc[nH+]c2N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001165393445 966091552 /nfs/dbraw/zinc/09/15/52/966091552.db2.gz SWIYERUBDGLEFC-YPMHNXCESA-N 2 0 242.326 1.514 20 0 BDADRP C[C@H](O)C[C@H]1CCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000691352313 966103246 /nfs/dbraw/zinc/10/32/46/966103246.db2.gz XROASRFJBFQDFQ-GXTWGEPZSA-N 2 0 240.391 1.564 20 0 BDADRP C[NH+](C)C1CCC([NH2+]Cc2ccno2)CC1 ZINC000715279364 966122553 /nfs/dbraw/zinc/12/25/53/966122553.db2.gz RVVFBKXOWJIFEQ-UHFFFAOYSA-N 2 0 223.320 1.637 20 0 BDADRP C[C@H]1CC[C@H]([NH3+])CN1C[C@H]([NH3+])Cc1ccccc1 ZINC001235892453 966136768 /nfs/dbraw/zinc/13/67/68/966136768.db2.gz QYSHDAGFWABOQN-AEGPPILISA-N 2 0 247.386 1.368 20 0 BDADRP COC1CCC(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001235976780 966187155 /nfs/dbraw/zinc/18/71/55/966187155.db2.gz CCNWZIROQHIWGS-FKZOYECMSA-N 2 0 238.375 1.615 20 0 BDADRP CCN(CC[C@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC001236003769 966225053 /nfs/dbraw/zinc/22/50/53/966225053.db2.gz AKQGAKXCUWADOP-KGLIPLIRSA-N 2 0 239.407 1.450 20 0 BDADRP CN(Cc1cc2c[nH+]ccc2[nH]1)C[C@@H]1CCC[NH2+]1 ZINC001236119608 966272798 /nfs/dbraw/zinc/27/27/98/966272798.db2.gz LASZZXCXCXFIID-LBPRGKRZSA-N 2 0 244.342 1.747 20 0 BDADRP C[N@H+](CC1(C)CC[NH2+]CC1)[C@H]1CCCC[C@@H]1N ZINC001236214686 966309365 /nfs/dbraw/zinc/30/93/65/966309365.db2.gz UQPVNCUAYMZOJU-STQMWFEESA-N 2 0 239.407 1.578 20 0 BDADRP Cc1c[nH]c(CN2CCC[C@@H]2C[NH3+])c1C ZINC001236247750 966322014 /nfs/dbraw/zinc/32/20/14/966322014.db2.gz YLLSUPFCNADHKT-LLVKDONJSA-N 2 0 207.321 1.555 20 0 BDADRP Cc1c[nH+]c(N2CC[C@@H]([NH3+])C(F)(F)C2)cc1N ZINC001166959327 966486156 /nfs/dbraw/zinc/48/61/56/966486156.db2.gz WJZFHVGZHNAKGV-SECBINFHSA-N 2 0 242.273 1.145 20 0 BDADRP C[NH2+]Cc1cccc(Nc2cc(C[NH3+])ncn2)c1 ZINC001167033270 966527529 /nfs/dbraw/zinc/52/75/29/966527529.db2.gz RUWZVRNQPHHCDG-UHFFFAOYSA-N 2 0 243.314 1.398 20 0 BDADRP [NH3+]CCCCC[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237380759 966652593 /nfs/dbraw/zinc/65/25/93/966652593.db2.gz HKRUKVNEITXBOX-CHWSQXEVSA-N 3 0 225.380 1.189 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CO[C@@H](C2CC2)C1)C[NH+](C)C ZINC000691287907 966783422 /nfs/dbraw/zinc/78/34/22/966783422.db2.gz VIQMSBQNHIFMDV-KGYLQXTDSA-N 2 0 226.364 1.341 20 0 BDADRP CCC[N@H+](CC)C[C@@H]1CNC(C)(C)O1 ZINC001204611184 967101947 /nfs/dbraw/zinc/10/19/47/967101947.db2.gz CTXJUSOIJGRZDO-JTQLQIEISA-N 2 0 200.326 1.443 20 0 BDADRP CC[NH+]1CCC(C[N@H+](C)C[C@@H]2CCOC2)CC1 ZINC001204797467 967177034 /nfs/dbraw/zinc/17/70/34/967177034.db2.gz ZJZGOLQUUBDHMP-AWEZNQCLSA-N 2 0 240.391 1.687 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000715562823 967183679 /nfs/dbraw/zinc/18/36/79/967183679.db2.gz RIJOGBPEROQLCX-FRRDWIJNSA-N 2 0 228.380 1.466 20 0 BDADRP CC[N@@H+]1CC[C@H](N[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000715580904 967195934 /nfs/dbraw/zinc/19/59/34/967195934.db2.gz OEGJTRHLNWQSNI-MELADBBJSA-N 2 0 239.407 1.543 20 0 BDADRP C[C@H]1C[N@H+](CC2CC[NH+](C)CC2)CC[C@H]1O ZINC000691350810 967261217 /nfs/dbraw/zinc/26/12/17/967261217.db2.gz QTKXDFXUDDVWTL-WCQYABFASA-N 2 0 226.364 1.031 20 0 BDADRP COc1ccccc1CC[NH+]1CCC(C[NH3+])CC1 ZINC001205026189 967296155 /nfs/dbraw/zinc/29/61/55/967296155.db2.gz NANMVPFNCCFKIC-UHFFFAOYSA-N 2 0 248.370 1.908 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2cccc3c2CCO3)CC1 ZINC001205053926 967309836 /nfs/dbraw/zinc/30/98/36/967309836.db2.gz VOHQXYJIUJSDCT-UHFFFAOYSA-N 2 0 246.354 1.792 20 0 BDADRP COc1cccc(C[NH+]2CCC(C[NH3+])CC2)c1N ZINC001205052723 967310190 /nfs/dbraw/zinc/31/01/90/967310190.db2.gz AOAASFSPRIMXAE-UHFFFAOYSA-N 2 0 249.358 1.448 20 0 BDADRP CCC[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)CCC ZINC001485947037 967316122 /nfs/dbraw/zinc/31/61/22/967316122.db2.gz GHDVSAKTGUWMIY-GFCCVEGCSA-N 2 0 243.395 1.175 20 0 BDADRP [NH3+][C@@H]1CCC[N@H+](Cc2cc3ncccc3[nH]2)CC1 ZINC001205116968 967366401 /nfs/dbraw/zinc/36/64/01/967366401.db2.gz KEZQCTZBDZFWAC-LLVKDONJSA-N 2 0 244.342 1.876 20 0 BDADRP [NH3+][C@H]1CCC[N@H+](Cc2ccn3nccc3c2)CC1 ZINC001205124593 967368761 /nfs/dbraw/zinc/36/87/61/967368761.db2.gz WCRVNLJEURQKPW-ZDUSSCGKSA-N 2 0 244.342 1.648 20 0 BDADRP [NH3+][C@H]1CCC[N@H+](Cc2cccc3c2OCC3)CC1 ZINC001205124480 967368927 /nfs/dbraw/zinc/36/89/27/967368927.db2.gz SETOVNPWDKEORP-AWEZNQCLSA-N 2 0 246.354 1.935 20 0 BDADRP C[C@H]1CN(Cc2cc3c[nH+]ccc3[nH]2)C[C@H]1C[NH3+] ZINC001205146168 967389099 /nfs/dbraw/zinc/38/90/99/967389099.db2.gz RGABJKCTGQBQLE-CMPLNLGQSA-N 2 0 244.342 1.590 20 0 BDADRP Cc1ncoc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205140463 967390511 /nfs/dbraw/zinc/39/05/11/967390511.db2.gz HWJVKEYHXIYEDH-WCBMZHEXSA-N 2 0 209.293 1.010 20 0 BDADRP CNc1ncc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)s1 ZINC001205151698 967393914 /nfs/dbraw/zinc/39/39/14/967393914.db2.gz ZBVNSOAFMQAWOB-DTWKUNHWSA-N 2 0 240.376 1.211 20 0 BDADRP CCC[C@@H](C)C[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205209686 967427252 /nfs/dbraw/zinc/42/72/52/967427252.db2.gz JWPXLDALLGVCAU-CHWSQXEVSA-N 2 0 228.380 1.598 20 0 BDADRP COCCC[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205255876 967441136 /nfs/dbraw/zinc/44/11/36/967441136.db2.gz MMAHKLNPYRMUMI-NSHDSACASA-N 2 0 200.326 1.226 20 0 BDADRP C[C@]1([NH3+])CCC[N@H+](Cc2ccoc2)CC1 ZINC001205265142 967456703 /nfs/dbraw/zinc/45/67/03/967456703.db2.gz NMTIVEQTOOMOFY-LBPRGKRZSA-N 2 0 208.305 1.983 20 0 BDADRP Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205263876 967458914 /nfs/dbraw/zinc/45/89/14/967458914.db2.gz DPYUDLQSQGYRSE-CYBMUJFWSA-N 2 0 236.363 1.730 20 0 BDADRP C[C@]1([NH3+])CCCN(Cc2c[nH]cn2)CC1 ZINC001205265144 967459223 /nfs/dbraw/zinc/45/92/23/967459223.db2.gz NQAUOOGHRBNUKW-NSHDSACASA-N 2 0 208.309 1.113 20 0 BDADRP C[C@H]1CC[NH2+]CCN1CC[C@H]1CCCC[NH2+]1 ZINC001205325996 967538216 /nfs/dbraw/zinc/53/82/16/967538216.db2.gz SQMQUXBBBIGXSC-QWHCGFSZSA-N 2 0 225.380 1.202 20 0 BDADRP C[C@@H]1CC[NH2+]CCN1CC[C@H]1CCCC[NH2+]1 ZINC001205325993 967545362 /nfs/dbraw/zinc/54/53/62/967545362.db2.gz SQMQUXBBBIGXSC-CHWSQXEVSA-N 2 0 225.380 1.202 20 0 BDADRP [NH3+]C[C@]1(F)CCC[N@H+](C[C@@H]2CCOC2)CC1 ZINC001205539387 967662778 /nfs/dbraw/zinc/66/27/78/967662778.db2.gz YDSGHVIJZFFGDR-RYUDHWBXSA-N 2 0 230.327 1.176 20 0 BDADRP [NH3+]C[C@]1(F)CCCN(C[C@@H]2CCCC[NH2+]2)CC1 ZINC001205537986 967671322 /nfs/dbraw/zinc/67/13/22/967671322.db2.gz LCSDWAGWRRBDSQ-STQMWFEESA-N 2 0 243.370 1.281 20 0 BDADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2ccncn2)CC1 ZINC001205559000 967695922 /nfs/dbraw/zinc/69/59/22/967695922.db2.gz MUZHXNRAMXHSMZ-LBPRGKRZSA-N 2 0 238.310 1.130 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2CCCO2)CC[C@H]1C[NH3+] ZINC001205601926 967716720 /nfs/dbraw/zinc/71/67/20/967716720.db2.gz GSUWZYXKGUURFP-AGIUHOORSA-N 2 0 226.364 1.472 20 0 BDADRP C[C@H]1CC[N@H+](CCCCCC[NH3+])CC[C@@H]1C[NH3+] ZINC001205604309 967722712 /nfs/dbraw/zinc/72/27/12/967722712.db2.gz UTIOZMYZCDRXCV-UONOGXRCSA-N 3 0 241.423 1.812 20 0 BDADRP C[C@H]1CC[N@H+](Cc2ncccc2N)CC[C@@H]1C[NH3+] ZINC001205616244 967725615 /nfs/dbraw/zinc/72/56/15/967725615.db2.gz DSKAHALXXYKIGS-NWDGAFQWSA-N 2 0 248.374 1.471 20 0 BDADRP C[C@H]1CC[N@H+](Cc2cnccc2N)CC[C@H]1C[NH3+] ZINC001205618576 967725944 /nfs/dbraw/zinc/72/59/44/967725944.db2.gz XGVFYPRDMLMERG-RYUDHWBXSA-N 2 0 248.374 1.301 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2cc[nH]c(=O)c2)CC[C@H]1C[NH3+] ZINC001205618057 967727800 /nfs/dbraw/zinc/72/78/00/967727800.db2.gz RACLSVKFQUHQRL-YPMHNXCESA-N 2 0 249.358 1.594 20 0 BDADRP Cc1n[nH]cc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205615984 967728306 /nfs/dbraw/zinc/72/83/06/967728306.db2.gz BLQHGCJLLQTQIP-JQWIXIFHSA-N 2 0 236.363 1.525 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2ccncc2[O-])CC[C@@H]1C[NH3+] ZINC001205627554 967735382 /nfs/dbraw/zinc/73/53/82/967735382.db2.gz QNFXYYLGRGMFIB-VXGBXAGGSA-N 2 0 249.358 1.594 20 0 BDADRP Cc1coc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)n1 ZINC001205655198 967748184 /nfs/dbraw/zinc/74/81/84/967748184.db2.gz YZSHKVMIRKJLQL-CMPLNLGQSA-N 2 0 237.347 1.790 20 0 BDADRP CC(C)CCC[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205662868 967752265 /nfs/dbraw/zinc/75/22/65/967752265.db2.gz DZCDLZFQRCEJMH-ZDUSSCGKSA-N 2 0 228.380 1.598 20 0 BDADRP C[N@@H+](Cc1cnoc1)CC1CC[NH+](C)CC1 ZINC001205697502 967781953 /nfs/dbraw/zinc/78/19/53/967781953.db2.gz XFNRYNGRGDBARR-UHFFFAOYSA-N 2 0 223.320 1.448 20 0 BDADRP C[C@@]1([NH3+])C[C@H](Nc2ccc3c([nH+]2)CCC3)C1 ZINC001162328487 967806114 /nfs/dbraw/zinc/80/61/14/967806114.db2.gz RWZKFFKUEAUDSX-GSJFWJNXSA-N 2 0 217.316 1.862 20 0 BDADRP C[C@@H]1CC[C@H](CN)[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC001205803898 967830091 /nfs/dbraw/zinc/83/00/91/967830091.db2.gz KISLLIJVTGSCSQ-HZSPNIEDSA-N 2 0 239.407 1.435 20 0 BDADRP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1CCCCCO ZINC001205902254 967880500 /nfs/dbraw/zinc/88/05/00/967880500.db2.gz JIMWHUVPZNFNAP-NWDGAFQWSA-N 2 0 214.353 1.208 20 0 BDADRP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cccc(N)c1 ZINC001205916114 967882832 /nfs/dbraw/zinc/88/28/32/967882832.db2.gz RXFCOWLHLNUGNP-AAEUAGOBSA-N 2 0 233.359 1.828 20 0 BDADRP Cc1cncc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)n1 ZINC001205983911 967933078 /nfs/dbraw/zinc/93/30/78/967933078.db2.gz PYGCIIGLUWMDHC-DGCLKSJQSA-N 2 0 248.374 1.592 20 0 BDADRP C[C@H]1C[N@H+](Cc2ncccc2[O-])CCC[C@@H]1C[NH3+] ZINC001205992594 967941277 /nfs/dbraw/zinc/94/12/77/967941277.db2.gz FPFBQOLPXOQBMA-NWDGAFQWSA-N 2 0 249.358 1.594 20 0 BDADRP C[C@H]1C[N@H+](Cc2cn(C)cn2)CCC[C@@H]1C[NH3+] ZINC001205995912 967946087 /nfs/dbraw/zinc/94/60/87/967946087.db2.gz RSGMDVACXMHTGB-NWDGAFQWSA-N 2 0 236.363 1.227 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccn(C)n2)CCC[C@H]1C[NH3+] ZINC001205996159 967947243 /nfs/dbraw/zinc/94/72/43/967947243.db2.gz VOHAPINWGRKFRN-NEPJUHHUSA-N 2 0 236.363 1.227 20 0 BDADRP Cc1c[nH]c(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)n1 ZINC001206004183 967954865 /nfs/dbraw/zinc/95/48/65/967954865.db2.gz RALPPUSIXISPAO-JQWIXIFHSA-N 2 0 236.363 1.525 20 0 BDADRP C[C@H]1C[N@H+](Cc2cccnc2N)CCC[C@@H]1C[NH3+] ZINC001206014770 967964285 /nfs/dbraw/zinc/96/42/85/967964285.db2.gz XZPRXOOLIOLXQM-NWDGAFQWSA-N 2 0 248.374 1.471 20 0 BDADRP C[C@H]1CC[C@@H](C[NH3+])N1C[C@@H]([NH3+])c1ccccc1 ZINC001205058474 967983309 /nfs/dbraw/zinc/98/33/09/967983309.db2.gz NNOAUPBMGCNBSA-FPMFFAJLSA-N 2 0 233.359 1.498 20 0 BDADRP Cc1ncc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)o1 ZINC001206028226 967985583 /nfs/dbraw/zinc/98/55/83/967985583.db2.gz XVFBDQRXUSTIEO-JQWIXIFHSA-N 2 0 237.347 1.790 20 0 BDADRP CCC[N@@H+]1CC[C@H](CNC2=[NH+]CCCCN2)C1 ZINC000697746309 968036875 /nfs/dbraw/zinc/03/68/75/968036875.db2.gz DYJMUHKDYWVRTM-GFCCVEGCSA-N 2 0 238.379 1.047 20 0 BDADRP Cc1cnccc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206165778 968104098 /nfs/dbraw/zinc/10/40/98/968104098.db2.gz OTWFLEBDWBFWTE-CHWSQXEVSA-N 2 0 237.322 1.651 20 0 BDADRP Cc1ccc(NCC(C)(C)C[NH+](C)C)[nH+]c1N ZINC001168764471 968118139 /nfs/dbraw/zinc/11/81/39/968118139.db2.gz WSLRMPYWVGUIMA-UHFFFAOYSA-N 2 0 236.363 1.972 20 0 BDADRP C[C@@H]1C[NH2+]CCN(Cc2ccc(C[NH3+])cc2)C1 ZINC001206276105 968190517 /nfs/dbraw/zinc/19/05/17/968190517.db2.gz BYIQWPLWEKRDQP-GFCCVEGCSA-N 3 0 233.359 1.187 20 0 BDADRP Cc1nc([C@@H]2CCC[N@H+](CCCC[NH3+])C2)no1 ZINC001206285760 968197880 /nfs/dbraw/zinc/19/78/80/968197880.db2.gz NXDUREFTOPORNA-LLVKDONJSA-N 2 0 238.335 1.296 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cncnc2)CC1 ZINC001206304196 968208713 /nfs/dbraw/zinc/20/87/13/968208713.db2.gz HDVQRCFIRFMQCB-CYBMUJFWSA-N 2 0 234.347 1.428 20 0 BDADRP Cn1ccc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)n1 ZINC001206304716 968211015 /nfs/dbraw/zinc/21/10/15/968211015.db2.gz ONTIVAZPQGLWHX-CYBMUJFWSA-N 2 0 236.363 1.371 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cccc(=O)[nH]2)CC1 ZINC001206305456 968213439 /nfs/dbraw/zinc/21/34/39/968213439.db2.gz ZTHUOEGYHQHKFF-CQSZACIVSA-N 2 0 249.358 1.738 20 0 BDADRP Cc1nc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)co1 ZINC001206305225 968215534 /nfs/dbraw/zinc/21/55/34/968215534.db2.gz WOJKZPFSHWNWCU-CYBMUJFWSA-N 2 0 237.347 1.934 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2ccnnc2)CC1 ZINC001206311915 968217360 /nfs/dbraw/zinc/21/73/60/968217360.db2.gz WTRCFSULTBWGRE-CYBMUJFWSA-N 2 0 234.347 1.428 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2ccncc2N)CC1 ZINC001206311525 968217671 /nfs/dbraw/zinc/21/76/71/968217671.db2.gz QGEBTRHEGGUTGP-CQSZACIVSA-N 2 0 248.374 1.615 20 0 BDADRP Cc1[nH+]c(N2CC[C@H]3C[C@@]3([NH3+])C2)cc2[nH]ccc21 ZINC001165328172 968281471 /nfs/dbraw/zinc/28/14/71/968281471.db2.gz SYVJGZSBVPGOPG-IINYFYTJSA-N 2 0 242.326 1.799 20 0 BDADRP CC[NH+]1CCC(CN2C[C@H]([NH3+])C[C@H](F)C2)CC1 ZINC001206406130 968281526 /nfs/dbraw/zinc/28/15/26/968281526.db2.gz VJBYAEYNCVHYOR-QWHCGFSZSA-N 2 0 243.370 1.089 20 0 BDADRP CC(C)c1cccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206535237 968362590 /nfs/dbraw/zinc/36/25/90/968362590.db2.gz GWLLOJUPFVXZMN-GJZGRUSLSA-N 2 0 248.370 1.561 20 0 BDADRP COC(C[N@@H+]1CCCC[C@](C)(C[NH3+])C1)OC ZINC001206541295 968366638 /nfs/dbraw/zinc/36/66/38/968366638.db2.gz GIOQWMLAIKYTQH-GFCCVEGCSA-N 2 0 230.352 1.056 20 0 BDADRP COC(=O)[C@H](C)C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206541956 968367776 /nfs/dbraw/zinc/36/77/76/968367776.db2.gz OGPFPCFPXOGRAC-DGCLKSJQSA-N 2 0 242.363 1.246 20 0 BDADRP [NH3+]C[C@H]1CCCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC001206607379 968413973 /nfs/dbraw/zinc/41/39/73/968413973.db2.gz ZTQQUBBZPVABLT-CHWSQXEVSA-N 3 0 225.380 1.047 20 0 BDADRP COc1cc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)ccn1 ZINC001206615168 968419851 /nfs/dbraw/zinc/41/98/51/968419851.db2.gz DOBUKBWZMUDKEA-CYBMUJFWSA-N 2 0 249.358 1.651 20 0 BDADRP Nc1cnccc1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206624893 968423268 /nfs/dbraw/zinc/42/32/68/968423268.db2.gz ZRBUDYLYBDCNTP-NSHDSACASA-N 2 0 234.347 1.225 20 0 BDADRP C[N@@H+]1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC001206701331 968436727 /nfs/dbraw/zinc/43/67/27/968436727.db2.gz VYPYRNMAAIRJIW-LBPRGKRZSA-N 2 0 212.337 1.193 20 0 BDADRP CC[N@@H+]1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC001206709105 968436568 /nfs/dbraw/zinc/43/65/68/968436568.db2.gz CEWXHYLRJCIKRS-ZDUSSCGKSA-N 2 0 226.364 1.583 20 0 BDADRP C[N@@H+]1CC[C@H]2[C@@H]1CCN2C[C@@H]1CCC[NH+](C)C1 ZINC001276496427 968491259 /nfs/dbraw/zinc/49/12/59/968491259.db2.gz BQKKBOJLNLZPKE-RDBSUJKOSA-N 2 0 237.391 1.107 20 0 BDADRP CCCC[C@H](O)C[N@H+](C)CCC[NH+](C)C ZINC001252076369 968494367 /nfs/dbraw/zinc/49/43/67/968494367.db2.gz KIHBQJCSXQFIDF-LBPRGKRZSA-N 2 0 216.369 1.421 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc[nH]c3=O)C2)C1 ZINC001207009747 968547030 /nfs/dbraw/zinc/54/70/30/968547030.db2.gz YHTUSHSCJHFLRS-AWEZNQCLSA-N 2 0 247.342 1.315 20 0 BDADRP CC(C)=Cc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001240635378 968594868 /nfs/dbraw/zinc/59/48/68/968594868.db2.gz NBPCEINQNLYCOH-UHFFFAOYSA-N 2 0 217.316 1.914 20 0 BDADRP CCCC[C@H](O)C[NH2+]CC(C)(C)C[NH+](C)C ZINC001252113205 968599064 /nfs/dbraw/zinc/59/90/64/968599064.db2.gz WMBJJDZXGVQJFO-LBPRGKRZSA-N 2 0 230.396 1.715 20 0 BDADRP CCCC[C@H](O)C[NH2+][C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001252116751 968603363 /nfs/dbraw/zinc/60/33/63/968603363.db2.gz QSWQSZVPKAPVTQ-IHRRRGAJSA-N 2 0 242.407 2.000 20 0 BDADRP C[NH+](C)CC(C)(C)C[NH+]1CCC2(COC2)CC1 ZINC001207274579 968702185 /nfs/dbraw/zinc/70/21/85/968702185.db2.gz DTYMGECXMWRNBZ-UHFFFAOYSA-N 2 0 240.391 1.687 20 0 BDADRP C[C@H]1CC[C@H](CO)C[N@@H+]1CC(C)(C)C[NH+](C)C ZINC001207275712 968713999 /nfs/dbraw/zinc/71/39/99/968713999.db2.gz ODWLNVDPSUVLCA-STQMWFEESA-N 2 0 242.407 1.667 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCCC23CC3)CC1 ZINC001207392293 968749637 /nfs/dbraw/zinc/74/96/37/968749637.db2.gz YGEFWADWJURKNR-UHFFFAOYSA-N 2 0 208.349 1.957 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CC[C@H]3OCC[C@@H]3C2)CC1 ZINC001207399647 968752973 /nfs/dbraw/zinc/75/29/73/968752973.db2.gz QBYKQUQGJVEHNO-ZIAGYGMSSA-N 2 0 238.375 1.439 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCCC(=O)CC2)CC1 ZINC001207395779 968753247 /nfs/dbraw/zinc/75/32/47/968753247.db2.gz XIKXPIUROPDZRJ-UHFFFAOYSA-N 2 0 224.348 1.383 20 0 BDADRP CCCOC1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC001207437147 968768328 /nfs/dbraw/zinc/76/83/28/968768328.db2.gz APBGZKUUNNBLEG-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP C[N@H+](CC1CC[NH2+]CC1)[C@H]1CC[C@H](O)CC1 ZINC001207435263 968770067 /nfs/dbraw/zinc/77/00/67/968770067.db2.gz BTAJXTYQXGWIQG-JOCQHMNTSA-N 2 0 226.364 1.221 20 0 BDADRP CN(C1CC1)[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC001207440895 968774513 /nfs/dbraw/zinc/77/45/13/968774513.db2.gz JWIFHMJKSYIODR-CQSZACIVSA-N 2 0 237.391 1.155 20 0 BDADRP CN1CCC[C@@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@H]21 ZINC001207440916 968776057 /nfs/dbraw/zinc/77/60/57/968776057.db2.gz LYVYEIMDVRDSSQ-ZIAGYGMSSA-N 3 0 237.391 1.012 20 0 BDADRP C[NH+]1CCC(CC[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)CC1 ZINC001207487276 968798167 /nfs/dbraw/zinc/79/81/67/968798167.db2.gz WDQJNADVGUETKY-ZSOGYDGISA-N 2 0 240.366 1.866 20 0 BDADRP C[NH+]1CCC(CC[N@H+]2C[C@H]3C[C@@H](C2)O3)CC1 ZINC001207486537 968798916 /nfs/dbraw/zinc/79/89/16/968798916.db2.gz JXIFMSFLBGEHJU-BETUJISGSA-N 2 0 224.348 1.191 20 0 BDADRP C[NH+]1CCC(CC[NH+]2CC3(COC3)C2)CC1 ZINC001207480274 968799516 /nfs/dbraw/zinc/79/95/16/968799516.db2.gz ZKKRHAPZJFYWMZ-UHFFFAOYSA-N 2 0 224.348 1.051 20 0 BDADRP COC[C@H]1CC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000829276040 968830559 /nfs/dbraw/zinc/83/05/59/968830559.db2.gz RUPCYTZOKCPZEY-STQMWFEESA-N 2 0 226.364 1.344 20 0 BDADRP CC[N@H+]1C[C@@H]2C[NH+](C[C@@H]3CCCO3)C[C@@H]2C1 ZINC001207896186 968907018 /nfs/dbraw/zinc/90/70/18/968907018.db2.gz KYSONYZUGVKSNK-XQQFMLRXSA-N 2 0 224.348 1.049 20 0 BDADRP CC[NH+]1C[C@@H]2C[NH+](C[C@H]3CCCO3)C[C@H]2C1 ZINC001207896184 968910264 /nfs/dbraw/zinc/91/02/64/968910264.db2.gz KYSONYZUGVKSNK-JHJVBQTASA-N 2 0 224.348 1.049 20 0 BDADRP CCC[NH+]1C[C@@H]2C[NH+](C[C@H]3CCCO3)C[C@H]2C1 ZINC001207894598 968918356 /nfs/dbraw/zinc/91/83/56/968918356.db2.gz QWVCVSOXJLVYMQ-MGPQQGTHSA-N 2 0 238.375 1.439 20 0 BDADRP CC[N@H+]1C[C@@H]2C[NH+](C[C@@H]3CCCCO3)C[C@@H]2C1 ZINC001207963338 968961621 /nfs/dbraw/zinc/96/16/21/968961621.db2.gz GCDCQUDYLGXUOL-MJBXVCDLSA-N 2 0 238.375 1.439 20 0 BDADRP CCC[C@H](O)C[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001252789101 968965502 /nfs/dbraw/zinc/96/55/02/968965502.db2.gz HZPAJPZLLNIMQN-FRRDWIJNSA-N 2 0 226.364 1.031 20 0 BDADRP CCC[C@H](O)C[NH2+]CCCCC[NH+](C)C ZINC001252799186 968982153 /nfs/dbraw/zinc/98/21/53/968982153.db2.gz QVVVWKLYFVBSRQ-LBPRGKRZSA-N 2 0 216.369 1.469 20 0 BDADRP CO[C@H]1CCC[N@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208105582 969000359 /nfs/dbraw/zinc/00/03/59/969000359.db2.gz YJQJPHIMYJCUQS-ZDUSSCGKSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@@H]1CC[C@H](O)C[N@@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208107864 969000998 /nfs/dbraw/zinc/00/09/98/969000998.db2.gz LFBHICNUAYQHBG-OLZOCXBDSA-N 2 0 240.391 1.564 20 0 BDADRP CC[N@H+](CCN(C)C)CC1(C)CC[NH+](C)CC1 ZINC001208103008 969002535 /nfs/dbraw/zinc/00/25/35/969002535.db2.gz JOGFQXJAHBGEKA-UHFFFAOYSA-N 2 0 241.423 1.602 20 0 BDADRP COC1CC[NH+](CC2(C)CC[NH+](C)CC2)CC1 ZINC001208105558 969003132 /nfs/dbraw/zinc/00/31/32/969003132.db2.gz XNGVWMBCKJYBNW-UHFFFAOYSA-N 2 0 240.391 1.829 20 0 BDADRP C[NH+]1CCC(C)(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)CC1 ZINC001208110071 969007742 /nfs/dbraw/zinc/00/77/42/969007742.db2.gz WDAYPOMSYNOTIP-XYYAHUGASA-N 2 0 240.366 1.866 20 0 BDADRP C[NH+](C)CCN1CC[C@@H]([NH+]2CCCC2)[C@@H](F)C1 ZINC001208128333 969025964 /nfs/dbraw/zinc/02/59/64/969025964.db2.gz CIZJJQIEMGTMQF-QWHCGFSZSA-N 2 0 243.370 1.056 20 0 BDADRP C[NH+](C)CC1(C[N@H+](C)CC2COC2)CCCC1 ZINC001208186205 969117613 /nfs/dbraw/zinc/11/76/13/969117613.db2.gz OQAQCBJCIUEXLK-UHFFFAOYSA-N 2 0 240.391 1.687 20 0 BDADRP CCC[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC001324488091 969139953 /nfs/dbraw/zinc/13/99/53/969139953.db2.gz LVANWJAGQXHFEH-MELADBBJSA-N 2 0 242.407 1.810 20 0 BDADRP CCCCC[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253384482 969147854 /nfs/dbraw/zinc/14/78/54/969147854.db2.gz VHSVRMYKPSNUEB-NSHDSACASA-N 2 0 216.369 1.515 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CC[C@H](COC)C2)CC1 ZINC001208592084 969149050 /nfs/dbraw/zinc/14/90/50/969149050.db2.gz DDVRMVJUPGKJIZ-AWEZNQCLSA-N 2 0 240.391 1.687 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC001208593138 969151959 /nfs/dbraw/zinc/15/19/59/969151959.db2.gz ODWUQSSGNRRORA-LBPRGKRZSA-N 2 0 226.364 1.439 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCC[NH+](C)C2)CCCO1 ZINC001208605091 969159052 /nfs/dbraw/zinc/15/90/52/969159052.db2.gz YMZJTZUPPOWDEU-CHWSQXEVSA-N 2 0 226.364 1.439 20 0 BDADRP CC/C=C\CC[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001208730519 969216865 /nfs/dbraw/zinc/21/68/65/969216865.db2.gz YEUXTEVHHKWPTD-WAYWQWQTSA-N 2 0 239.407 1.522 20 0 BDADRP [NH3+][C@@H]1CCN(c2[nH+]ccc3[nH]ccc32)C1 ZINC001156228193 969231043 /nfs/dbraw/zinc/23/10/43/969231043.db2.gz CJPOJHYUZVNBBG-MRVPVSSYSA-N 2 0 202.261 1.100 20 0 BDADRP [NH3+]CCN(c1cccnc1)c1cccc(C[NH3+])c1 ZINC001168834214 969232277 /nfs/dbraw/zinc/23/22/77/969232277.db2.gz IAYDGDLGXSVIIY-UHFFFAOYSA-N 2 0 242.326 1.637 20 0 BDADRP CCCCC[C@H](O)C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC001253562499 969233560 /nfs/dbraw/zinc/23/35/60/969233560.db2.gz DMPHZZITQXSBRS-IHRRRGAJSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cccnc2)CCC[C@@H]1C[NH3+] ZINC001205994139 969244296 /nfs/dbraw/zinc/24/42/96/969244296.db2.gz JRPPOTYOJCCHRQ-TZMCWYRMSA-N 2 0 233.359 1.888 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccc[nH]c2=O)CCC[C@H]1C[NH3+] ZINC001205995843 969268025 /nfs/dbraw/zinc/26/80/25/969268025.db2.gz RBCYZLOXNIHVCX-NEPJUHHUSA-N 2 0 249.358 1.594 20 0 BDADRP CC[NH+]1C[C@@H]2C[NH+](C[C@H]3CCC=CO3)C[C@H]2C1 ZINC001208883886 969274173 /nfs/dbraw/zinc/27/41/73/969274173.db2.gz APNOEQOYDLJJCB-MGPQQGTHSA-N 2 0 236.359 1.563 20 0 BDADRP COC(=N)c1cccc(-n2cc(CC[NH3+])cn2)c1 ZINC001168952234 969292119 /nfs/dbraw/zinc/29/21/19/969292119.db2.gz GAGFNXOCZSYEBT-UHFFFAOYSA-N 2 0 244.298 1.345 20 0 BDADRP Cc1nc[nH]c1CC[NH2+]C[C@H](O)C(C)(C)C ZINC001253741508 969361978 /nfs/dbraw/zinc/36/19/78/969361978.db2.gz YWAFKAWHTDOREN-NSHDSACASA-N 2 0 225.336 1.257 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@H]1CCCOC1)C2 ZINC001169094549 969384112 /nfs/dbraw/zinc/38/41/12/969384112.db2.gz MKJBPCYVSRPMMB-XDQVBPFNSA-N 2 0 238.375 1.628 20 0 BDADRP Cn1cc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC001169098397 969391927 /nfs/dbraw/zinc/39/19/27/969391927.db2.gz HFMQSYANEHTQDS-BTTYYORXSA-N 2 0 248.374 1.177 20 0 BDADRP CO[C@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169099128 969393300 /nfs/dbraw/zinc/39/33/00/969393300.db2.gz NTYKRDFNCCTRQQ-XXCSZPINSA-N 2 0 224.348 1.379 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(=O)[nH]c1)C2 ZINC001169098089 969393997 /nfs/dbraw/zinc/39/39/97/969393997.db2.gz FRJNENFZNACVDS-XYYAHUGASA-N 2 0 247.342 1.502 20 0 BDADRP C[C@@H]([NH3+])c1nccn1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169078762 969395711 /nfs/dbraw/zinc/39/57/11/969395711.db2.gz GGHLZEQTCVLAKE-WISYIIOYSA-N 2 0 234.347 1.701 20 0 BDADRP C[C@H]([NH3+])c1nccn1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169078761 969397628 /nfs/dbraw/zinc/39/76/28/969397628.db2.gz GGHLZEQTCVLAKE-NNYUYHANSA-N 2 0 234.347 1.701 20 0 BDADRP CC(C)[C@H](O)C[NH2+]CCCCC[NH+](C)C ZINC001253778472 969398696 /nfs/dbraw/zinc/39/86/96/969398696.db2.gz PTADVJJJIDBOGS-GFCCVEGCSA-N 2 0 216.369 1.325 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1cncc1CC[NH3+])C2 ZINC001169082185 969401646 /nfs/dbraw/zinc/40/16/46/969401646.db2.gz YFHMFMZOEZIWTL-PJXYFTJBSA-N 2 0 234.347 1.182 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(CO)CCC1)C2 ZINC001169091143 969407772 /nfs/dbraw/zinc/40/77/72/969407772.db2.gz ODXHWJYKKNPHRD-XYYAHUGASA-N 2 0 238.375 1.364 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(CO)CCCC1)C2 ZINC001169092128 969409647 /nfs/dbraw/zinc/40/96/47/969409647.db2.gz YCGSWDHXUMNEQL-CLLJXQQHSA-N 2 0 238.375 1.506 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[C@@H]([NH3+])C1)C2 ZINC001169089794 969409887 /nfs/dbraw/zinc/40/98/87/969409887.db2.gz FYOPECNOSNSLMZ-FVCCEPFGSA-N 2 0 223.364 1.035 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](n1ncc3c1CC[NH2+]C3)C2 ZINC001169124865 969423565 /nfs/dbraw/zinc/42/35/65/969423565.db2.gz FSPQELAGOHUGBR-CLLJXQQHSA-N 2 0 246.358 1.327 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCC[C@@H](O)C1)C2 ZINC001169126166 969433835 /nfs/dbraw/zinc/43/38/35/969433835.db2.gz QMCFDZHYPODNJJ-ZOBORPQBSA-N 2 0 238.375 1.458 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169108167 969449877 /nfs/dbraw/zinc/44/98/77/969449877.db2.gz OZNOFEVCEPWIHF-POQQGIQPSA-N 2 0 238.375 1.626 20 0 BDADRP CC[C@H]1COCCN1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169142608 969452951 /nfs/dbraw/zinc/45/29/51/969452951.db2.gz DLISBCALWCVGQV-FQUUOJAGSA-N 2 0 238.375 1.722 20 0 BDADRP CCO[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169155639 969475066 /nfs/dbraw/zinc/47/50/66/969475066.db2.gz TYZJKAQGSPDIGC-ZOBORPQBSA-N 2 0 238.375 1.722 20 0 BDADRP C[C@H]1C[C@@H]1C[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001209421754 969488012 /nfs/dbraw/zinc/48/80/12/969488012.db2.gz NWGABLHUIIVSIS-UONOGXRCSA-N 2 0 239.407 1.212 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@H]2C[C@H](F)C2)CC1 ZINC001169230398 969500823 /nfs/dbraw/zinc/50/08/23/969500823.db2.gz AULHRBNNEPRZSN-XYPYZODXSA-N 2 0 214.328 1.808 20 0 BDADRP C[C@@H]([NH3+])c1ccn(-c2ccc([C@H](C)[NH3+])cc2)n1 ZINC001169232358 969509196 /nfs/dbraw/zinc/50/91/96/969509196.db2.gz DTOBGUPJLFKCCB-VHSXEESVSA-N 2 0 230.315 1.912 20 0 BDADRP CC[NH+]1CCC([NH2+]CCCC(C)(C)O)CC1 ZINC001169232884 969512417 /nfs/dbraw/zinc/51/24/17/969512417.db2.gz GZYZEBQEROJYOF-UHFFFAOYSA-N 2 0 228.380 1.611 20 0 BDADRP CC[NH+]1CCC(N2CCCCC23COC3)CC1 ZINC001169258092 969542469 /nfs/dbraw/zinc/54/24/69/969542469.db2.gz ATLFGXIUCPXDGH-UHFFFAOYSA-N 2 0 238.375 1.726 20 0 BDADRP C[NH+]1CCC2(CN(Cc3c[nH+]ccc3N)C2)CC1 ZINC001209737539 969599814 /nfs/dbraw/zinc/59/98/14/969599814.db2.gz NOARFBSBHZIBAW-UHFFFAOYSA-N 2 0 246.358 1.022 20 0 BDADRP C[NH+](C)CC1CC[NH+](Cc2cnccc2N)CC1 ZINC001209734258 969600593 /nfs/dbraw/zinc/60/05/93/969600593.db2.gz PRTOOJOOCPGTKY-UHFFFAOYSA-N 2 0 248.374 1.268 20 0 BDADRP [NH2+]=C(NC1CCC2(CC2)CC1)SCC[NH3+] ZINC001254434737 969625410 /nfs/dbraw/zinc/62/54/10/969625410.db2.gz UKYKURNUIFJHTL-UHFFFAOYSA-N 2 0 227.377 1.925 20 0 BDADRP C[N@@H+]1CCC[C@@H](Nc2cccnc2C[NH3+])CC1 ZINC001254507753 969651548 /nfs/dbraw/zinc/65/15/48/969651548.db2.gz CXGMCNJSQMLGAB-LLVKDONJSA-N 2 0 234.347 1.437 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+]C[C@@H]2CC(C)(C)O2)CC1 ZINC001254503632 969664755 /nfs/dbraw/zinc/66/47/55/969664755.db2.gz NZKVZHFXDMWUCV-NEPJUHHUSA-N 2 0 226.364 1.628 20 0 BDADRP CC(C)N(CCC[NH3+])[C@@H]1CCC[N@H+](C)CC1 ZINC001254501831 969667273 /nfs/dbraw/zinc/66/72/73/969667273.db2.gz YUOYCCUDMMSFNA-CYBMUJFWSA-N 2 0 227.396 1.530 20 0 BDADRP C[N@@H+]1CCC[C@@H](n2cnc3c2C[NH2+]CC3)CC1 ZINC001254515824 969688962 /nfs/dbraw/zinc/68/89/62/969688962.db2.gz DQRFWFPVBIHSDU-LLVKDONJSA-N 2 0 234.347 1.186 20 0 BDADRP COCC1CC[NH+]([C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254517956 969698061 /nfs/dbraw/zinc/69/80/61/969698061.db2.gz ZVQJNPFYQJPOJK-CQSZACIVSA-N 2 0 240.391 1.829 20 0 BDADRP CN([C@H]1CC[N@H+](C)C1)[C@H]1CCC[NH+](C)CC1 ZINC001254522587 969711267 /nfs/dbraw/zinc/71/12/67/969711267.db2.gz HLAMNBCSPUGKEG-STQMWFEESA-N 2 0 225.380 1.107 20 0 BDADRP C[N@H+](CC1COC1)[C@@H]1CCC[NH+](C)CC1 ZINC001254525675 969723922 /nfs/dbraw/zinc/72/39/22/969723922.db2.gz KUKOJIJZAYDNQL-GFCCVEGCSA-N 2 0 212.337 1.049 20 0 BDADRP C[N@@H+]1CCC[C@@H](n2ccc3c2CC[NH2+]C3)CC1 ZINC001254531012 969732403 /nfs/dbraw/zinc/73/24/03/969732403.db2.gz ISXMGDFDOIEJSK-CYBMUJFWSA-N 2 0 233.359 1.791 20 0 BDADRP N=c1cc(C[NH3+])ccn1[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254839255 969800665 /nfs/dbraw/zinc/80/06/65/969800665.db2.gz OMWDGPQWVZNBHC-CYBMUJFWSA-N 2 0 246.358 1.083 20 0 BDADRP [NH3+]Cc1ncccc1N[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254846842 969803584 /nfs/dbraw/zinc/80/35/84/969803584.db2.gz WHCDWFUMOIBDMS-GFCCVEGCSA-N 2 0 246.358 1.437 20 0 BDADRP CCc1cc(-n2ccc(C[NH3+])c2)cc[nH+]1 ZINC001169725327 969818288 /nfs/dbraw/zinc/81/82/88/969818288.db2.gz DITMXERSVJOGOV-UHFFFAOYSA-N 2 0 201.273 1.893 20 0 BDADRP CC(C)[N@H+](CCC[NH3+])[C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254922194 969821393 /nfs/dbraw/zinc/82/13/93/969821393.db2.gz MVLYPRIHUJZRDB-ITGUQSILSA-N 2 0 238.375 1.803 20 0 BDADRP [NH3+]CCc1cn(-c2cc[nH+]cc2)c2cccnc12 ZINC001169700444 969823021 /nfs/dbraw/zinc/82/30/21/969823021.db2.gz OELVQUBGWWWCBS-UHFFFAOYSA-N 2 0 238.294 1.922 20 0 BDADRP CC[NH+]1C[C@@H]2C[NH+](C3CCOCC3)C[C@H]2C1 ZINC001255045157 969863899 /nfs/dbraw/zinc/86/38/99/969863899.db2.gz ATMNELBQTYGMGV-VXGBXAGGSA-N 2 0 224.348 1.049 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](C3CCSCC3)C[C@@H]2C1 ZINC001255088820 969923243 /nfs/dbraw/zinc/92/32/43/969923243.db2.gz FAMVCYJVJFGDTG-NEPJUHHUSA-N 2 0 240.416 1.766 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCSC1)C2 ZINC001255269878 970019002 /nfs/dbraw/zinc/01/90/02/970019002.db2.gz QGQRFBRGNYNFMR-WISYIIOYSA-N 2 0 226.389 1.707 20 0 BDADRP c1cc(NC[C@H]2COCC[NH2+]2)cc(C2CC2)[nH+]1 ZINC001170048360 970085519 /nfs/dbraw/zinc/08/55/19/970085519.db2.gz ZEMKQLFUOXRRIK-LBPRGKRZSA-N 2 0 233.315 1.359 20 0 BDADRP CC(C)CCC[C@@H](C)[NH+]1CCN(CC[NH3+])CC1 ZINC001170061690 970125369 /nfs/dbraw/zinc/12/53/69/970125369.db2.gz ZLTBPPUQPMHSMY-CQSZACIVSA-N 2 0 241.423 1.778 20 0 BDADRP C[N@@H+]1CC[C@@H](N2C[C@@H]([NH3+])Cc3ccccc32)C1 ZINC001255412788 970130062 /nfs/dbraw/zinc/13/00/62/970130062.db2.gz SELBLAUHKJADHB-QWHCGFSZSA-N 2 0 231.343 1.081 20 0 BDADRP C[C@@H]([NH3+])c1nc2ccccc2n1[C@H]1CC[N@H+](C)C1 ZINC001255412206 970131911 /nfs/dbraw/zinc/13/19/11/970131911.db2.gz MEYLTPKPWSCUSD-MNOVXSKESA-N 2 0 244.342 1.933 20 0 BDADRP C[N@@H+]1CC[C@H](N2C[C@H]([NH3+])Cc3ccccc32)C1 ZINC001255412787 970132250 /nfs/dbraw/zinc/13/22/50/970132250.db2.gz SELBLAUHKJADHB-OLZOCXBDSA-N 2 0 231.343 1.081 20 0 BDADRP CN1CC[C@@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)C1 ZINC001255411479 970133002 /nfs/dbraw/zinc/13/30/02/970133002.db2.gz FYPBRBFUCOFXTE-OAHLLOKOSA-N 2 0 247.386 1.542 20 0 BDADRP CN1CC[C@@H]([NH2+]C2CCC(CC[NH3+])CC2)C1 ZINC001255422446 970147409 /nfs/dbraw/zinc/14/74/09/970147409.db2.gz YFULHXQCMGVNII-WXRRBKDZSA-N 2 0 225.380 1.188 20 0 BDADRP COC1CCC([NH+]2CCC([NH+](C)C)CC2)CC1 ZINC001255455985 970187047 /nfs/dbraw/zinc/18/70/47/970187047.db2.gz WJIIEYXYSQTLGD-UHFFFAOYSA-N 2 0 240.391 1.970 20 0 BDADRP C[N@@H+]1CCC[C@H](Nc2cccc(CC[NH3+])c2)C1 ZINC001255475815 970205360 /nfs/dbraw/zinc/20/53/60/970205360.db2.gz VWVBAKILVLBOGA-AWEZNQCLSA-N 2 0 233.359 1.694 20 0 BDADRP C[N@@H+]1CCC[C@H](Nc2ccc(C[NH3+])c(F)c2)C1 ZINC001255477598 970214428 /nfs/dbraw/zinc/21/44/28/970214428.db2.gz NXZWGKSTTWRCJF-LBPRGKRZSA-N 2 0 237.322 1.791 20 0 BDADRP C[N@@H+]1CCC[C@@H](n2ccnc2[C@@H]2CCC[NH2+]C2)C1 ZINC001255490373 970244118 /nfs/dbraw/zinc/24/41/18/970244118.db2.gz VGCDZLJLVKEJHP-CHWSQXEVSA-N 2 0 248.374 1.617 20 0 BDADRP C[N@@H+]1[C@@H]2CC[C@H]1CN([C@H]1CCC[NH+](C)C1)CC2 ZINC001255493165 970249107 /nfs/dbraw/zinc/24/91/07/970249107.db2.gz UUBIHSORWNPRGV-RDBSUJKOSA-N 2 0 237.391 1.249 20 0 BDADRP [NH3+]C[C@H](O)C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC001255506633 970270832 /nfs/dbraw/zinc/27/08/32/970270832.db2.gz DBOBDIVPUXVLSV-HACHORDNSA-N 2 0 240.269 1.017 20 0 BDADRP CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])CCO1 ZINC001255534030 970296881 /nfs/dbraw/zinc/29/68/81/970296881.db2.gz AGGXNNBTJDJSIT-OUAUKWLOSA-N 2 0 212.337 1.413 20 0 BDADRP COC[C@@H](C)[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001255582672 970388334 /nfs/dbraw/zinc/38/83/34/970388334.db2.gz XFQUNXTYKKYCPU-LLVKDONJSA-N 2 0 212.337 1.049 20 0 BDADRP COC[C@H](C)[N@H+]1C[C@H]2[C@H](C1)CCCN2C ZINC001255582992 970389841 /nfs/dbraw/zinc/38/98/41/970389841.db2.gz GMXSDQIUXLMDHH-SRVKXCTJSA-N 2 0 212.337 1.047 20 0 BDADRP CC(C)N(CC[NH3+])C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255666159 970446881 /nfs/dbraw/zinc/44/68/81/970446881.db2.gz VQPPHUZBRDVNLV-PBWFPOADSA-N 2 0 239.407 1.671 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)n1nc(C[NH3+])cc1C ZINC001255941946 970570482 /nfs/dbraw/zinc/57/04/82/970570482.db2.gz CGNWQKOCSBWKIU-LLVKDONJSA-N 2 0 238.379 1.943 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]C[C@@H]1CCCO1 ZINC001255940185 970571361 /nfs/dbraw/zinc/57/13/61/970571361.db2.gz RUABGLLXXVFCJK-OLZOCXBDSA-N 2 0 228.380 1.875 20 0 BDADRP CC[C@H](COC)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000400316696 970574471 /nfs/dbraw/zinc/57/44/71/970574471.db2.gz AEDNEPZRDPKTNY-ZYHUDNBSSA-N 2 0 214.353 1.389 20 0 BDADRP CC[NH+](CC)CC[C@H](C)NC[C@H]1CCC[N@@H+]1C ZINC001255943260 970577404 /nfs/dbraw/zinc/57/74/04/970577404.db2.gz LCCAJLGMOOFVMO-UONOGXRCSA-N 2 0 241.423 1.791 20 0 BDADRP C[C@@H]([NH2+]Cc1cccc(O)c1)C1CC[NH2+]CC1 ZINC000400338696 970578608 /nfs/dbraw/zinc/57/86/08/970578608.db2.gz DWMGHNNDUQFDJA-LLVKDONJSA-N 2 0 234.343 1.870 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000400388122 970584482 /nfs/dbraw/zinc/58/44/82/970584482.db2.gz MJZYSRGZYNNCMB-VXGBXAGGSA-N 2 0 228.380 1.515 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001255969190 970609566 /nfs/dbraw/zinc/60/95/66/970609566.db2.gz VADOQSIBELEFPO-UONOGXRCSA-N 2 0 239.407 1.497 20 0 BDADRP CC[C@H]1C[C@@H]([N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CCO1 ZINC001170235517 970609677 /nfs/dbraw/zinc/60/96/77/970609677.db2.gz MZYBPFXTWKDSOJ-CRWXNKLISA-N 2 0 238.375 1.437 20 0 BDADRP C[N@H+](CC[C@H]1CCOC1)C1CCC([NH3+])CC1 ZINC000400622458 970611521 /nfs/dbraw/zinc/61/15/21/970611521.db2.gz LLBRTOOQZVSZDB-HIFPTAJRSA-N 2 0 226.364 1.615 20 0 BDADRP CC(C)N(CCC[NH3+])C1CC[NH+](C2CC2)CC1 ZINC001256067420 970633282 /nfs/dbraw/zinc/63/32/82/970633282.db2.gz ODTRGFNXOAUKGJ-UHFFFAOYSA-N 2 0 239.407 1.672 20 0 BDADRP F[C@@H]1COCC[C@@H]1[NH2+]C1CCN(C2CC2)CC1 ZINC001256068717 970634473 /nfs/dbraw/zinc/63/44/73/970634473.db2.gz GMTILYVVPTYMID-OLZOCXBDSA-N 2 0 242.338 1.330 20 0 BDADRP C[NH+]1CC(CNc2ccc3c(N)cc[nH+]c3c2)C1 ZINC001170256404 970640949 /nfs/dbraw/zinc/64/09/49/970640949.db2.gz KCFPKQDULNYWTE-UHFFFAOYSA-N 2 0 242.326 1.791 20 0 BDADRP C[C@@H]1CN(C2CC[NH+](C3CC3)CC2)CC[N@@H+]1C ZINC001256080572 970649111 /nfs/dbraw/zinc/64/91/11/970649111.db2.gz YXSCLKUHYQNBNA-GFCCVEGCSA-N 2 0 237.391 1.249 20 0 BDADRP C(=C/C1CC1)\C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401011632 970655532 /nfs/dbraw/zinc/65/55/32/970655532.db2.gz HERSOQGWZNKUFG-WFPXHNLCSA-N 2 0 220.360 1.930 20 0 BDADRP C[C@H](Cc1ccccc1Cl)[NH2+][C@@H]1C[C@H]1N ZINC001170255704 970668943 /nfs/dbraw/zinc/66/89/43/970668943.db2.gz WVJCAUBVIWLWKX-GGZOMVNGSA-N 2 0 224.735 1.960 20 0 BDADRP COc1cccc(C[C@H](C)N2CC[C@@H]([NH3+])C2)c1 ZINC001256143916 970670730 /nfs/dbraw/zinc/67/07/30/970670730.db2.gz JMGGJFPXOZUXQY-WCQYABFASA-N 2 0 234.343 1.659 20 0 BDADRP COc1cccc(C[C@@H](C)[NH2+]C[C@@H](C)C[NH3+])c1 ZINC001256152959 970673456 /nfs/dbraw/zinc/67/34/56/970673456.db2.gz FUSVWAGCZLXDBL-NWDGAFQWSA-N 2 0 236.359 1.811 20 0 BDADRP C[NH+]1CCC(Nc2cccnc2C[NH3+])CC1 ZINC001256199925 970683417 /nfs/dbraw/zinc/68/34/17/970683417.db2.gz IGRIJQBINLNDHF-UHFFFAOYSA-N 2 0 220.320 1.046 20 0 BDADRP C[C@H]1[C@H]([NH3+])CCCN1c1[nH+]ccc2[nH]ccc21 ZINC001157731947 970753031 /nfs/dbraw/zinc/75/30/31/970753031.db2.gz HMKUIPCTWNSELL-GXSJLCMTSA-N 2 0 230.315 1.879 20 0 BDADRP CC[C@H]([NH3+])CN1Cc2ccccc2[C@@H]2C[NH2+]C[C@@H]21 ZINC001222559623 972569138 /nfs/dbraw/zinc/56/91/38/972569138.db2.gz ZLKJQGCATDMHLN-QEJZJMRPSA-N 2 0 245.370 1.295 20 0 BDADRP CCCCC[C@H](CC)[N@@H+]1C[C@H](N)C[C@@H](O)C1 ZINC001246542465 972586296 /nfs/dbraw/zinc/58/62/96/972586296.db2.gz QOHAMCMTZCJSJN-FRRDWIJNSA-N 2 0 228.380 1.739 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@](F)(C[NH3+])CC2)CCO1 ZINC001246545317 972630690 /nfs/dbraw/zinc/63/06/90/972630690.db2.gz BFXKEIXTBAJZEP-FRRDWIJNSA-N 2 0 244.354 1.707 20 0 BDADRP COC[C@H](C)[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246545589 972633451 /nfs/dbraw/zinc/63/34/51/972633451.db2.gz BVEDIIXGIDYQHZ-WDEREUQCSA-N 2 0 218.316 1.174 20 0 BDADRP [NH3+][C@@H]1CCCN([C@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001246548088 972673988 /nfs/dbraw/zinc/67/39/88/972673988.db2.gz QPCPKPPTXRJPRR-KGLIPLIRSA-N 2 0 237.391 1.284 20 0 BDADRP [NH3+][C@@H]1CCCN([C@@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001246548090 972681768 /nfs/dbraw/zinc/68/17/68/972681768.db2.gz QPCPKPPTXRJPRR-ZIAGYGMSSA-N 2 0 237.391 1.284 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[C@H]([NH3+])CC1)C2 ZINC001246550961 972725212 /nfs/dbraw/zinc/72/52/12/972725212.db2.gz ZMWNKTIDFVDZFG-FQUUOJAGSA-N 2 0 237.391 1.425 20 0 BDADRP C[N@@H+]1CCC[C@H](N2CCC[C@@H]([NH3+])CC2)CC1 ZINC001246550976 972725899 /nfs/dbraw/zinc/72/58/99/972725899.db2.gz ZOHNJRWPGCCYDB-OLZOCXBDSA-N 2 0 225.380 1.284 20 0 BDADRP C[C@@H]1CCN([C@@H]2CCCC[NH2+]C2)C[C@H]1C[NH3+] ZINC001246552880 972739921 /nfs/dbraw/zinc/73/99/21/972739921.db2.gz PRPPTWOCEMTGGR-JHJVBQTASA-N 2 0 225.380 1.045 20 0 BDADRP CN1CCC[C@H]([N@@H+]2CCC[C@](F)(C[NH3+])CC2)C1 ZINC001246553501 972750853 /nfs/dbraw/zinc/75/08/53/972750853.db2.gz YPFYJCYWAIVVFF-QWHCGFSZSA-N 2 0 243.370 1.234 20 0 BDADRP CC(C)[C@H]1C[C@@H](N2CC[C@@H](C)[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246566756 972812838 /nfs/dbraw/zinc/81/28/38/972812838.db2.gz IMXOAWOXLUTLCW-ZOBORPQBSA-N 2 0 239.407 1.432 20 0 BDADRP C[C@@H]1CN([C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)C[C@H]1[NH3+] ZINC001246569534 972822021 /nfs/dbraw/zinc/82/20/21/972822021.db2.gz VXJWDGXXFKZOFJ-FDYHWXHSSA-N 2 0 239.407 1.432 20 0 BDADRP C[NH+](C)Cc1cccc(NCC(C)(C)[NH3+])n1 ZINC001171190801 972836274 /nfs/dbraw/zinc/83/62/74/972836274.db2.gz BXIFHYBACMXROR-UHFFFAOYSA-N 2 0 222.336 1.292 20 0 BDADRP CCCC[C@@H]1C[C@@H](N2CC[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC001246571017 972842054 /nfs/dbraw/zinc/84/20/54/972842054.db2.gz CKWIPXNYPGWQOV-MJBXVCDLSA-N 2 0 239.407 1.591 20 0 BDADRP CC[C@H](C[C@@H](C)CC)[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246579874 972915157 /nfs/dbraw/zinc/91/51/57/972915157.db2.gz HMMUSGYRGBYLFM-WUHRBBMRSA-N 2 0 228.380 1.453 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@@H+](C2CC[NH2+]CC2)CC1 ZINC001246579312 972920639 /nfs/dbraw/zinc/92/06/39/972920639.db2.gz UIDUUCCHQIRPSG-ZDUSSCGKSA-N 3 0 225.380 1.189 20 0 BDADRP C[C@@H]1CNC[C@H](C)[N@H+]1C1CCC2(C[NH2+]C2)CC1 ZINC001246585004 972970700 /nfs/dbraw/zinc/97/07/00/972970700.db2.gz DEKDITTXMZARRI-TXEJJXNPSA-N 2 0 237.391 1.201 20 0 BDADRP C1CN([C@H]2CCC[NH2+]C2)[C@]2(C1)CCC[NH2+]CC2 ZINC001246606869 973026509 /nfs/dbraw/zinc/02/65/09/973026509.db2.gz OFOUHPAVAUJOBR-KBPBESRZSA-N 2 0 237.391 1.347 20 0 BDADRP C1CN([C@@H]2CCCC[NH2+]C2)[C@]2(C1)CCC[NH2+]C2 ZINC001246609255 973030375 /nfs/dbraw/zinc/03/03/75/973030375.db2.gz KYXBNZJXSFFQPK-KGLIPLIRSA-N 2 0 237.391 1.347 20 0 BDADRP C1C[NH2+]C2(C1)CCN(C1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC001246620414 973038159 /nfs/dbraw/zinc/03/81/59/973038159.db2.gz BJVVMUJFYOBIBD-PBWFPOADSA-N 2 0 249.402 1.487 20 0 BDADRP CO[C@@H]1CCC[C@H]([N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)C1 ZINC001246637726 973056691 /nfs/dbraw/zinc/05/66/91/973056691.db2.gz JAMYRKQKNUTUBY-UMSGYPCISA-N 2 0 224.348 1.380 20 0 BDADRP [NH3+][C@@]12C[C@@H]1CCN([C@H]1CCC3(C1)CC[NH2+]CC3)C2 ZINC001246654371 973068988 /nfs/dbraw/zinc/06/89/88/973068988.db2.gz KCCOMLZIYOQGMS-KCQAQPDRSA-N 2 0 249.402 1.332 20 0 BDADRP C1[NH2+][C@H]2CCCN([C@H]3CCC4(C3)CC[NH2+]CC4)[C@H]12 ZINC001246664555 973073707 /nfs/dbraw/zinc/07/37/07/973073707.db2.gz RYRLRBYOSPXONG-MELADBBJSA-N 2 0 249.402 1.345 20 0 BDADRP CC[NH2+]C1CCN([C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246800618 973099557 /nfs/dbraw/zinc/09/95/57/973099557.db2.gz GAMQZHIVQGYJPV-AAEUAGOBSA-N 2 0 225.380 1.201 20 0 BDADRP CC[C@H]1C[C@@H](N2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])CC[NH2+]1 ZINC001246841073 973144730 /nfs/dbraw/zinc/14/47/30/973144730.db2.gz LXDFVNURPTYMIM-NDKCEZKHSA-N 2 0 237.391 1.186 20 0 BDADRP C[C@@H]1C[C@@H]([NH+]2CC3(C2)CCC[NH2+]CC3)CC[NH2+]1 ZINC001246853839 973158859 /nfs/dbraw/zinc/15/88/59/973158859.db2.gz LRTGHJFATGHKJC-OLZOCXBDSA-N 3 0 237.391 1.202 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2C[C@H]3CC[C@]3([NH3+])C2)CC[NH2+]1 ZINC001246857755 973169294 /nfs/dbraw/zinc/16/92/94/973169294.db2.gz BRJPVOBUMMIXQE-MQYQWHSLSA-N 2 0 237.391 1.186 20 0 BDADRP CC[C@H]1C[C@@H](N(C)C[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC001246888828 973328239 /nfs/dbraw/zinc/32/82/39/973328239.db2.gz KPIHUFLZWJJSDW-AVGNSLFASA-N 2 0 225.380 1.201 20 0 BDADRP C[NH2+][C@H]1CCN1[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246904818 973384708 /nfs/dbraw/zinc/38/47/08/973384708.db2.gz YSVAFYMHWXHCFG-CHWSQXEVSA-N 2 0 237.391 1.693 20 0 BDADRP C1CC1[NH2+][C@H]1CCCN([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC001246914487 973445451 /nfs/dbraw/zinc/44/54/51/973445451.db2.gz CJWPUSGQWJXILM-NEBZKDRISA-N 2 0 249.402 1.201 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)N1C[C@@H]2C[NH2+]C[C@H]21 ZINC001246920007 973491457 /nfs/dbraw/zinc/49/14/57/973491457.db2.gz OHARKKSWDRCHPN-MELADBBJSA-N 2 0 239.407 1.401 20 0 BDADRP CC[C@@H]1CC(N2C[C@@H]3[NH2+]C[C@H]3C2)C[C@@H](CC)[NH2+]1 ZINC001246921591 973520093 /nfs/dbraw/zinc/52/00/93/973520093.db2.gz SUCWOAKGXWSKET-SFTQSGBHSA-N 2 0 237.391 1.199 20 0 BDADRP C[C@@H]1C[C@@H](N(C2CCC2)[C@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001246984819 973743381 /nfs/dbraw/zinc/74/33/81/973743381.db2.gz HNYOCYGNPLLKBV-KWCYVHTRSA-N 2 0 237.391 1.343 20 0 BDADRP CC[C@H](C)OCC[C@H](C)[N@H+](C)C[C@H](C)[NH3+] ZINC001246981826 973748913 /nfs/dbraw/zinc/74/89/13/973748913.db2.gz SCOGNXVJJKQFLV-SRVKXCTJSA-N 2 0 216.369 1.859 20 0 BDADRP CO[C@@H]1CC[N@H+](CCCCCC[NH3+])C1 ZINC000234826164 973772752 /nfs/dbraw/zinc/77/27/52/973772752.db2.gz DUICZXQNVFNKIF-LLVKDONJSA-N 2 0 200.326 1.226 20 0 BDADRP CO[C@@H]1CC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000234937848 973786656 /nfs/dbraw/zinc/78/66/56/973786656.db2.gz MGXIMZNCKNZVES-OAHLLOKOSA-N 2 0 246.354 1.553 20 0 BDADRP C[C@@H]1CC[C@H](N2CC[C@H]3[NH2+]CCC[C@H]3C2)C[NH2+]1 ZINC001247014169 973795956 /nfs/dbraw/zinc/79/59/56/973795956.db2.gz JERNTOWANZZBLM-ZOBORPQBSA-N 2 0 237.391 1.201 20 0 BDADRP C[n+]1cccc(NC[C@H]2CCCC[NH2+]2)c1 ZINC001171339999 973894801 /nfs/dbraw/zinc/89/48/01/973894801.db2.gz OUSAXFHYNGWHQW-LLVKDONJSA-N 2 0 206.313 1.065 20 0 BDADRP C[N@@H+]1CCC[C@H]1CO[C@H]1CCC[NH+](C)CC1 ZINC001224817986 973998113 /nfs/dbraw/zinc/99/81/13/973998113.db2.gz FRTDLNKHUCVUOY-STQMWFEESA-N 2 0 226.364 1.582 20 0 BDADRP [NH3+]Cc1nccnc1Nc1c[nH+]cc2cc[nH]c21 ZINC001171447671 974071009 /nfs/dbraw/zinc/07/10/09/974071009.db2.gz KXBROWVQVKQPLF-UHFFFAOYSA-N 2 0 240.270 1.555 20 0 BDADRP CC[NH+](CC)CCO[C@@H]1CCC[N@H+](C)CC1 ZINC001224926847 974071724 /nfs/dbraw/zinc/07/17/24/974071724.db2.gz BFWBTDURLXJITJ-CYBMUJFWSA-N 2 0 228.380 1.829 20 0 BDADRP CC[NH+](CC)CCOC1CC[NH+](C2CC2)CC1 ZINC001224926827 974071915 /nfs/dbraw/zinc/07/19/15/974071915.db2.gz AXRVYJSYBUZNAT-UHFFFAOYSA-N 2 0 240.391 1.972 20 0 BDADRP C[NH+](C)CCCCO[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001224992682 974124480 /nfs/dbraw/zinc/12/44/80/974124480.db2.gz RWGOLXDHUHWJER-WDNDVIMCSA-N 2 0 240.391 1.970 20 0 BDADRP C[NH+](C)CC(C)(C)CN1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206154045 974317961 /nfs/dbraw/zinc/31/79/61/974317961.db2.gz GOGNMNIOJPFYQG-NWDGAFQWSA-N 2 0 245.386 1.335 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(O)CC1)C2 ZINC001172100323 974343461 /nfs/dbraw/zinc/34/34/61/974343461.db2.gz PKPIRORGHHLUEI-ZSBIGDGJSA-N 2 0 224.348 1.116 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](n1ccnc1CC[NH3+])C2 ZINC001172100557 974347505 /nfs/dbraw/zinc/34/75/05/974347505.db2.gz FBCSCYBZPDUOJK-CLLJXQQHSA-N 2 0 248.374 1.572 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCC(C)(C)O)C2 ZINC001172101854 974359559 /nfs/dbraw/zinc/35/95/59/974359559.db2.gz CFXMVEJAZQGAJJ-CLLJXQQHSA-N 2 0 240.391 1.752 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCn1cccn1)C2 ZINC001172102880 974362640 /nfs/dbraw/zinc/36/26/40/974362640.db2.gz QBNMEOSKTJLXDR-ZSOGYDGISA-N 2 0 248.374 1.488 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC[C@H]([NH3+])C1)C2 ZINC001172107939 974363911 /nfs/dbraw/zinc/36/39/11/974363911.db2.gz LZODCYMUYVRLNO-FQUUOJAGSA-N 2 0 237.391 1.425 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccnnc1)C2 ZINC001172107611 974367805 /nfs/dbraw/zinc/36/78/05/974367805.db2.gz IPZVVRHHXVZPQB-ZSOGYDGISA-N 2 0 246.358 1.582 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](n1ccnc1C(N)=[NH2+])C2 ZINC001172108326 974376171 /nfs/dbraw/zinc/37/61/71/974376171.db2.gz UMHAEIFOWVEQJA-JGPRNRPPSA-N 2 0 247.346 1.355 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1CCC[C@@H]1[NH3+])C2 ZINC001172114709 974384430 /nfs/dbraw/zinc/38/44/30/974384430.db2.gz SKEDYHATZOHEDC-PDWCTOEPSA-N 2 0 237.391 1.471 20 0 BDADRP COCCC[NH+]1CCC([N@H+](C)CCOC)CC1 ZINC001172248941 974513758 /nfs/dbraw/zinc/51/37/58/974513758.db2.gz CZBYILMBYGMQEX-UHFFFAOYSA-N 2 0 244.379 1.066 20 0 BDADRP CC[C@H](C)OCC[C@@H](C)N1CC[C@@H]([NH3+])C1 ZINC001172314799 974522596 /nfs/dbraw/zinc/52/25/96/974522596.db2.gz DUQPYLNNCMNPOA-GRYCIOLGSA-N 2 0 214.353 1.613 20 0 BDADRP C[N@H+](CC(=O)NCCC(C)(C)[NH3+])CC(C)(C)C ZINC001330953063 974541801 /nfs/dbraw/zinc/54/18/01/974541801.db2.gz XTSAZMISYNWLDE-UHFFFAOYSA-N 2 0 243.395 1.208 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+]([C@H]3COC(C)(C)C3)C[C@@H]2C1 ZINC001172284182 974545330 /nfs/dbraw/zinc/54/53/30/974545330.db2.gz PNSUXFSKWJGEJU-FRRDWIJNSA-N 2 0 238.375 1.437 20 0 BDADRP C[C@@H]1CC[C@@H](NC(=[NH2+])NCCCC[NH3+])C[C@@H]1C ZINC001172360772 974632217 /nfs/dbraw/zinc/63/22/17/974632217.db2.gz XBCBNVZIVLTXMR-GRYCIOLGSA-N 2 0 240.395 1.664 20 0 BDADRP CCOCC[C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC001172411523 974674841 /nfs/dbraw/zinc/67/48/41/974674841.db2.gz MXWAQOTZUPVOJZ-GFCCVEGCSA-N 2 0 230.396 1.979 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+]C1Cc2ccccc2C1 ZINC001331419303 974712997 /nfs/dbraw/zinc/71/29/97/974712997.db2.gz PWUGTINKQOINPR-LLVKDONJSA-N 2 0 218.344 1.741 20 0 BDADRP CC(C)COCC[C@H](C)[NH2+]CCC[NH+](C)C ZINC001172462119 974826552 /nfs/dbraw/zinc/82/65/52/974826552.db2.gz ZGFGPKVQQFIKCM-ZDUSSCGKSA-N 2 0 230.396 1.979 20 0 BDADRP OCC12CCC(CC1)[N@@H+]2CC[C@@H]1CCC[NH2+]C1 ZINC001331965606 974895735 /nfs/dbraw/zinc/89/57/35/974895735.db2.gz IWBKXVUCAMBRPF-HSBZDZAISA-N 2 0 238.375 1.365 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])C1 ZINC001172930854 974981952 /nfs/dbraw/zinc/98/19/52/974981952.db2.gz JHDTXWZLGUOCJD-WISYIIOYSA-N 2 0 212.337 1.413 20 0 BDADRP CO[C@H]1CCC[C@H]([NH+]2CCC([NH+](C)C)CC2)C1 ZINC001172930518 974983561 /nfs/dbraw/zinc/98/35/61/974983561.db2.gz IZZRXACTKDSLNX-KBPBESRZSA-N 2 0 240.391 1.970 20 0 BDADRP Nc1cc(O[C@@H]2C[NH+]3CCC2CC3)cc[nH+]1 ZINC001226655751 975002536 /nfs/dbraw/zinc/00/25/36/975002536.db2.gz HPCNJBLPXDFIIL-LLVKDONJSA-N 2 0 219.288 1.137 20 0 BDADRP CC[NH+](CC)C[C@@H](C)Oc1cc[nH+]c(N)c1 ZINC001226657844 975006548 /nfs/dbraw/zinc/00/65/48/975006548.db2.gz SBGQIEBAHVYRLZ-SNVBAGLBSA-N 2 0 223.320 1.773 20 0 BDADRP CC[NH+](CC)C1CCC([NH+]2CC(CO)C2)CC1 ZINC001173112344 975024396 /nfs/dbraw/zinc/02/43/96/975024396.db2.gz WAXGLNNPRUEKNH-UHFFFAOYSA-N 2 0 240.391 1.564 20 0 BDADRP C[C@H]1C[C@@H]([N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)CCO1 ZINC001173174045 975051596 /nfs/dbraw/zinc/05/15/96/975051596.db2.gz AGCLPAVFCHFLSG-RFQIPJPRSA-N 2 0 238.375 1.437 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)CCO1 ZINC001173168610 975061269 /nfs/dbraw/zinc/06/12/69/975061269.db2.gz QCSREBZNIGJZRA-MJBXVCDLSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@H]1CC[C@@H](NC(=[NH2+])NCCCC[NH3+])C1 ZINC001173267515 975132141 /nfs/dbraw/zinc/13/21/41/975132141.db2.gz RMOSQDYYRFWPBY-WDEREUQCSA-N 2 0 226.368 1.418 20 0 BDADRP C[C@H]([NH3+])CN1C[C@H](CC[NH3+])Cc2ccccc21 ZINC001332816409 975289038 /nfs/dbraw/zinc/28/90/38/975289038.db2.gz SVEWHIQDWIGZKZ-NWDGAFQWSA-N 2 0 233.359 1.361 20 0 BDADRP CC[N@@H+]1CC[C@@H](n2ncc3cccc(C[NH3+])c32)C1 ZINC001173349617 975291733 /nfs/dbraw/zinc/29/17/33/975291733.db2.gz BYGRCRITFYARLG-CYBMUJFWSA-N 2 0 244.342 1.762 20 0 BDADRP CC[N@@H+]1CC[C@@H](Nc2ccc(C[NH3+])nc2)C1 ZINC001173356914 975313922 /nfs/dbraw/zinc/31/39/22/975313922.db2.gz HJTXREHQFZARIX-GFCCVEGCSA-N 2 0 220.320 1.046 20 0 BDADRP CC[N@@H+]1CC[C@H](N2CCC([NH+](C)C)CC2)C1 ZINC001173357598 975322737 /nfs/dbraw/zinc/32/27/37/975322737.db2.gz PLVOJAAFTNLIIV-ZDUSSCGKSA-N 2 0 225.380 1.107 20 0 BDADRP CC[N@@H+]1CC[C@@H](Nc2ccc(C[NH3+])c(F)c2)C1 ZINC001173360199 975325140 /nfs/dbraw/zinc/32/51/40/975325140.db2.gz YJKBPRYRMFKHSL-GFCCVEGCSA-N 2 0 237.322 1.791 20 0 BDADRP CC[N@@H+]1CC[C@H](N2CC[NH+]3CCCC[C@H]3C2)C1 ZINC001173362427 975335402 /nfs/dbraw/zinc/33/54/02/975335402.db2.gz HBQUPSOPLBNRDG-KBPBESRZSA-N 2 0 237.391 1.251 20 0 BDADRP CC[N@H+](C)C1CCN([C@H]2CC[NH+](CC)C2)CC1 ZINC001173375039 975363852 /nfs/dbraw/zinc/36/38/52/975363852.db2.gz QBJQHYJQKGMIGA-AWEZNQCLSA-N 2 0 239.407 1.497 20 0 BDADRP C[NH2+]CCN(C)c1cc(N2CCCC2)[nH+]c(C)n1 ZINC000258992893 975368923 /nfs/dbraw/zinc/36/89/23/975368923.db2.gz PMMDHOBAANWHBC-UHFFFAOYSA-N 2 0 249.362 1.041 20 0 BDADRP COC(=O)CCCC[C@@H](C)[N@H+](C)C[C@@H](C)C[NH3+] ZINC001173444546 975384074 /nfs/dbraw/zinc/38/40/74/975384074.db2.gz KLAKAHNNFNSBNP-NWDGAFQWSA-N 2 0 244.379 1.635 20 0 BDADRP CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]C[C@H](C)C[NH3+])C1 ZINC001173649675 975510369 /nfs/dbraw/zinc/51/03/69/975510369.db2.gz HOVAHLVRTNLCFM-IJLUTSLNSA-N 2 0 242.363 1.293 20 0 BDADRP CCOC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H](C)C[NH3+])C1 ZINC001173649683 975515360 /nfs/dbraw/zinc/51/53/60/975515360.db2.gz HOVAHLVRTNLCFM-TUAOUCFPSA-N 2 0 242.363 1.293 20 0 BDADRP COCC[N@H+](C)CCC[NH2+]CC1(OC)CCC1 ZINC001333338956 975680937 /nfs/dbraw/zinc/68/09/37/975680937.db2.gz UNGLBAMIFHNLGU-UHFFFAOYSA-N 2 0 244.379 1.113 20 0 BDADRP C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1C[C@H]1CCC[NH2+]C1 ZINC001333529110 975832101 /nfs/dbraw/zinc/83/21/01/975832101.db2.gz LHCRFTUIMAQRIK-CYDGBPFRSA-N 2 0 225.380 1.057 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@@H]1CCC[C@H](F)C1 ZINC001333595494 975879493 /nfs/dbraw/zinc/87/94/93/975879493.db2.gz GGXJZNBQBXIPEN-AXFHLTTASA-N 2 0 214.328 1.997 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC001333623374 975900448 /nfs/dbraw/zinc/90/04/48/975900448.db2.gz YCOZTDIFYGCANM-ZIAGYGMSSA-N 2 0 238.375 1.489 20 0 BDADRP CC(C)([NH3+])CCNC(=O)c1ccccc1CC[NH3+] ZINC001333695563 976004654 /nfs/dbraw/zinc/00/46/54/976004654.db2.gz HSPJMQWNSUDTPE-UHFFFAOYSA-N 2 0 249.358 1.045 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1cn[nH]c1 ZINC001335253035 976897959 /nfs/dbraw/zinc/89/79/59/976897959.db2.gz RNHFAKCEPBNVET-MPEURRAXSA-N 2 0 234.347 1.058 20 0 BDADRP C[NH+](C)CCc1ccc(O[C@H]2CC[N@H+](C)C2)cc1 ZINC001229658738 976936058 /nfs/dbraw/zinc/93/60/58/976936058.db2.gz YLZFGPOKWPKESJ-HNNXBMFYSA-N 2 0 248.370 1.874 20 0 BDADRP C[N@@H+]1CCC=C(Nc2cc[nH+]c3c2CCC3)C1 ZINC001175575213 977568145 /nfs/dbraw/zinc/56/81/45/977568145.db2.gz OQMIDDDEFYMGQH-UHFFFAOYSA-N 2 0 229.327 1.624 20 0 BDADRP Cc1[nH+]cc(NC2=CCC[N@H+](C)C2)n1C ZINC001175577418 977585178 /nfs/dbraw/zinc/58/51/78/977585178.db2.gz SBKSEOHVSCMYNE-UHFFFAOYSA-N 2 0 206.293 1.360 20 0 BDADRP CN(CC[N@H+](C)C1CC1)c1cc[nH+]cc1 ZINC001336392959 977656244 /nfs/dbraw/zinc/65/62/44/977656244.db2.gz VTWJOPIDNYPGAJ-UHFFFAOYSA-N 2 0 205.305 1.612 20 0 BDADRP C[NH+](C)CCC[C@H]1CN(c2cc[nH+]cc2)CCO1 ZINC001336413778 977671952 /nfs/dbraw/zinc/67/19/52/977671952.db2.gz QNGCSTNCJPRUQT-AWEZNQCLSA-N 2 0 249.358 1.629 20 0 BDADRP CN(c1ccc(C[NH3+])cc1)c1cc(N)cc[nH+]1 ZINC001175967836 977838629 /nfs/dbraw/zinc/83/86/29/977838629.db2.gz XDZPJLLQGDLUSJ-UHFFFAOYSA-N 2 0 228.299 1.890 20 0 BDADRP C[C@@]1(O)CCC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232015044 977844450 /nfs/dbraw/zinc/84/44/50/977844450.db2.gz ZYIIOFHFLNYQLN-CQSZACIVSA-N 2 0 245.326 1.910 20 0 BDADRP C[N@@H+]1CC[C@@H]2CN(c3cc[nH+]cc3)CC[C@H]21 ZINC001336934047 978071013 /nfs/dbraw/zinc/07/10/13/978071013.db2.gz RGYHMPQPIGNKKY-DGCLKSJQSA-N 2 0 217.316 1.612 20 0 BDADRP C[C@@H](C(=O)N(C)C1(C[NH3+])CCCCC1)[C@H](C)[NH3+] ZINC001337034651 978135951 /nfs/dbraw/zinc/13/59/51/978135951.db2.gz CGKHWKZGPUGHHR-MNOVXSKESA-N 2 0 241.379 1.090 20 0 BDADRP CCN1CC[C@H]([NH2+]CC2CC[NH+](CC)CC2)C1 ZINC000328193465 978200615 /nfs/dbraw/zinc/20/06/15/978200615.db2.gz PYPKLTGHZPQANK-AWEZNQCLSA-N 2 0 239.407 1.402 20 0 BDADRP C[N@H+]1CC[C@H]2CN(c3cc[nH+]cc3)C[C@H]2CC1 ZINC001277694799 978209088 /nfs/dbraw/zinc/20/90/88/978209088.db2.gz VZEHMPNVXQLDEP-BETUJISGSA-N 2 0 231.343 1.860 20 0 BDADRP CC[NH+]1CCC(OCCC[NH+](C)C)CC1 ZINC001206286018 978235887 /nfs/dbraw/zinc/23/58/87/978235887.db2.gz HKVDABULTSYKQN-UHFFFAOYSA-N 2 0 214.353 1.439 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@H+](C[C@H]2CC[NH2+]C2)CC1 ZINC001206293105 978296169 /nfs/dbraw/zinc/29/61/69/978296169.db2.gz GHMBPAIROJZNES-STQMWFEESA-N 3 0 225.380 1.047 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC001206295659 978299171 /nfs/dbraw/zinc/29/91/71/978299171.db2.gz MVGFZMGMTXCDMI-CHWSQXEVSA-N 2 0 226.364 1.616 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2ccc[nH]2)CC1 ZINC001206295843 978300957 /nfs/dbraw/zinc/30/09/57/978300957.db2.gz ODEUUJZNWMNENA-CYBMUJFWSA-N 2 0 221.348 1.966 20 0 BDADRP CC(C)[N@@H+]1CCC[C@H](OCCC[NH+](C)C)C1 ZINC001206297208 978312570 /nfs/dbraw/zinc/31/25/70/978312570.db2.gz SDKWWILNAVYMDB-ZDUSSCGKSA-N 2 0 228.380 1.828 20 0 BDADRP CC[NH2+]CCN1CCC[C@@](C)(C[NH3+])CC1 ZINC001206297211 978312787 /nfs/dbraw/zinc/31/27/87/978312787.db2.gz WRIACWJPVWKNCD-GFCCVEGCSA-N 2 0 213.369 1.047 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206296870 978317151 /nfs/dbraw/zinc/31/71/51/978317151.db2.gz VGHPSRSBWPGTHJ-LBPRGKRZSA-N 3 0 213.369 1.047 20 0 BDADRP Cn1cncc1C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206305410 978387496 /nfs/dbraw/zinc/38/74/96/978387496.db2.gz YNCIOUWWCGVFFZ-ZDUSSCGKSA-N 2 0 236.363 1.371 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCO[C@@H](C)C2)C1 ZINC001177542872 978392977 /nfs/dbraw/zinc/39/29/77/978392977.db2.gz VLMMCFUVXKJFNA-MJBXVCDLSA-N 2 0 240.391 1.875 20 0 BDADRP c1cc(NC[C@@H]2CCCC[N@@H+]2C2CC2)cc[nH+]1 ZINC001337709787 978466367 /nfs/dbraw/zinc/46/63/67/978466367.db2.gz PKELIXWEFZQXHZ-AWEZNQCLSA-N 2 0 231.343 1.932 20 0 BDADRP C[C@@H]1CN(c2cc[nH+]cc2)[C@@H](C)C[N@@H+]1C ZINC001337708079 978469178 /nfs/dbraw/zinc/46/91/78/978469178.db2.gz CQXWDCDAUDBOMP-MNOVXSKESA-N 2 0 205.305 1.610 20 0 BDADRP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2c1c[nH+]cn1C ZINC001277765922 978473801 /nfs/dbraw/zinc/47/38/01/978473801.db2.gz WZZRDUDCMKYJCJ-FGWVZKOKSA-N 2 0 220.320 1.139 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC001337852295 978525420 /nfs/dbraw/zinc/52/54/20/978525420.db2.gz ZYURWBDYYJVOST-LOWVWBTDSA-N 2 0 241.379 1.138 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC001337852297 978527231 /nfs/dbraw/zinc/52/72/31/978527231.db2.gz ZYURWBDYYJVOST-WZRBSPASSA-N 2 0 241.379 1.138 20 0 BDADRP NC[C@]1(F)CCCC[N@H+](C[C@H]2CCCOC2)C1 ZINC001206337318 978601867 /nfs/dbraw/zinc/60/18/67/978601867.db2.gz SYGFTWYRBFFCPC-CHWSQXEVSA-N 2 0 244.354 1.566 20 0 BDADRP CC(C)[NH+]1CCC2(C[NH+](Cc3cn[nH]c3)C2)CC1 ZINC001277796570 978654939 /nfs/dbraw/zinc/65/49/39/978654939.db2.gz GOVRJFCZNWLDOM-UHFFFAOYSA-N 2 0 248.374 1.716 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cnsc2)C1 ZINC001179039006 978662111 /nfs/dbraw/zinc/66/21/11/978662111.db2.gz AIUNQJYLRHCMSC-JGZJWPJOSA-N 2 0 225.361 1.573 20 0 BDADRP CCC(=O)C[N@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001277851995 978825900 /nfs/dbraw/zinc/82/59/00/978825900.db2.gz OBUJKMZAFGSKSH-TXEJJXNPSA-N 2 0 224.348 1.239 20 0 BDADRP [NH3+]CCN1CCC2(CC1)C[NH2+]Cc1ccccc12 ZINC001235086708 978973908 /nfs/dbraw/zinc/97/39/08/978973908.db2.gz NUMURIFSSLCUMO-UHFFFAOYSA-N 2 0 245.370 1.082 20 0 BDADRP CC[NH2+]CCN1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235153188 978981500 /nfs/dbraw/zinc/98/15/00/978981500.db2.gz QNAAHWIFWJTCPD-CQSZACIVSA-N 2 0 239.407 1.450 20 0 BDADRP [NH3+][C@H](CN1CC[C@H]2C[C@@]2([NH3+])C1)c1ccccc1 ZINC001235165984 978985924 /nfs/dbraw/zinc/98/59/24/978985924.db2.gz NLCSQAVVIJUFDD-BFHYXJOUSA-N 2 0 231.343 1.110 20 0 BDADRP C[C@H](CCC[NH3+])NC(=O)c1ccc(CC[NH3+])cc1 ZINC001340300438 979006649 /nfs/dbraw/zinc/00/66/49/979006649.db2.gz RMICKGWWMZPXOZ-LLVKDONJSA-N 2 0 249.358 1.045 20 0 BDADRP C(C1CC2(C1)CC[NH2+]CC2)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001235292740 979019746 /nfs/dbraw/zinc/01/97/46/979019746.db2.gz IRWFGSPLTPBYOH-ZIAGYGMSSA-N 2 0 249.402 1.202 20 0 BDADRP [NH3+][C@H](CN1CCC[C@@H]2[NH2+]C[C@@H]21)c1ccccc1 ZINC001235296376 979020634 /nfs/dbraw/zinc/02/06/34/979020634.db2.gz WTNCQFZMKYAECD-RDBSUJKOSA-N 2 0 231.343 1.123 20 0 BDADRP C[C@@H]1CN[C@@H](C)C[N@@H+]1CC1(C)CC[NH2+]CC1 ZINC001235441468 979044212 /nfs/dbraw/zinc/04/42/12/979044212.db2.gz NSCMJXJDOUMCCL-NWDGAFQWSA-N 2 0 225.380 1.058 20 0 BDADRP CCOC(=O)CC1CC[NH+](CCCC[NH3+])CC1 ZINC001235435306 979046810 /nfs/dbraw/zinc/04/68/10/979046810.db2.gz IGSHONVXKFXAFX-UHFFFAOYSA-N 2 0 242.363 1.391 20 0 BDADRP C[C@@H]1C[NH2+][C@@H](C)CN1Cc1ccc2c(c1)C[NH2+]C2 ZINC001235449935 979047691 /nfs/dbraw/zinc/04/76/91/979047691.db2.gz JBIJDCGZVHMDJM-NWDGAFQWSA-N 2 0 245.370 1.472 20 0 BDADRP CC(C)[C@@H]1CN(C[C@@H]([NH3+])c2ccccc2)CC[NH2+]1 ZINC001235470372 979050758 /nfs/dbraw/zinc/05/07/58/979050758.db2.gz DDRPCGRQYCJXBA-CABCVRRESA-N 2 0 247.386 1.616 20 0 BDADRP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001340881430 979138424 /nfs/dbraw/zinc/13/84/24/979138424.db2.gz NINFYRBOVBQNNO-ZANVPECISA-N 2 0 247.342 1.602 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCc2ncccc2C1 ZINC001235754861 979139387 /nfs/dbraw/zinc/13/93/87/979139387.db2.gz VRZVWHUBAICANX-UHFFFAOYSA-N 2 0 205.305 1.179 20 0 BDADRP CC[C@@H]1C[NH2+]CCN1Cc1ccc(C[NH3+])cc1 ZINC001235770360 979148801 /nfs/dbraw/zinc/14/88/01/979148801.db2.gz DLWGMUDPHJNEKA-CQSZACIVSA-N 2 0 233.359 1.329 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCC[C@H](C(F)F)C1 ZINC001235811618 979158088 /nfs/dbraw/zinc/15/80/88/979158088.db2.gz SLIHKLVFWAVCEQ-VIFPVBQESA-N 2 0 206.280 1.702 20 0 BDADRP C[N@H+](CCCC[NH3+])CCCC(=O)c1cccnc1 ZINC001235841010 979168192 /nfs/dbraw/zinc/16/81/92/979168192.db2.gz RMVGHHOVURBJKK-UHFFFAOYSA-N 2 0 249.358 1.715 20 0 BDADRP CC1(C)CN(Cc2cccc(C[NH3+])c2)CC[NH2+]1 ZINC001235837976 979168613 /nfs/dbraw/zinc/16/86/13/979168613.db2.gz NOQYSAGPTJSSDP-UHFFFAOYSA-N 2 0 233.359 1.329 20 0 BDADRP C[C@@H]([NH3+])CN1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001235863576 979173773 /nfs/dbraw/zinc/17/37/73/979173773.db2.gz FUFJUSNODXNXBO-ZIAGYGMSSA-N 2 0 247.386 1.712 20 0 BDADRP Cc1cc(CN(CC[NH3+])CC[NH3+])ccc1Cl ZINC001235878542 979173857 /nfs/dbraw/zinc/17/38/57/979173857.db2.gz ZUQWAOWWLOWXKJ-UHFFFAOYSA-N 2 0 241.766 1.368 20 0 BDADRP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001235891224 979183990 /nfs/dbraw/zinc/18/39/90/979183990.db2.gz DJUYLAJKQIFKCX-FRRDWIJNSA-N 3 0 225.380 1.188 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001340983782 979186905 /nfs/dbraw/zinc/18/69/05/979186905.db2.gz QYXRBQHOQZWWDQ-CQSZACIVSA-N 2 0 247.342 1.746 20 0 BDADRP C[C@@H]1CC[C@H]([NH3+])CN1Cc1ccc2c(c1)C[NH2+]C2 ZINC001235909156 979204369 /nfs/dbraw/zinc/20/43/69/979204369.db2.gz ZVBOEKSHJZYFBU-ABAIWWIYSA-N 2 0 245.370 1.601 20 0 BDADRP COC(=O)C[N@H+](CCCC[NH3+])C1CCCC1 ZINC001235964141 979231740 /nfs/dbraw/zinc/23/17/40/979231740.db2.gz ZLSFTGCGUWHJQL-UHFFFAOYSA-N 2 0 228.336 1.143 20 0 BDADRP C[N@@H+]1CCC[C@H]1C[C@H]1CCCCN1CC[NH3+] ZINC001235973216 979245529 /nfs/dbraw/zinc/24/55/29/979245529.db2.gz LUQMQMKTPQITKH-QWHCGFSZSA-N 2 0 225.380 1.284 20 0 BDADRP CCN(C[C@H]1CCCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC001236003836 979291430 /nfs/dbraw/zinc/29/14/30/979291430.db2.gz ARDWNWITNPKHJC-OLZOCXBDSA-N 2 0 225.380 1.202 20 0 BDADRP [NH3+][C@@]12CC[C@H]1CN(Cc1cccc3c[nH+]cn31)C2 ZINC001235997427 979292600 /nfs/dbraw/zinc/29/26/00/979292600.db2.gz ULYBRXKGDWFSQJ-SMDDNHRTSA-N 2 0 242.326 1.257 20 0 BDADRP [NH3+][C@]12CC[C@@H]1CN(Cc1cccc3c[nH+]cn31)C2 ZINC001235997423 979294263 /nfs/dbraw/zinc/29/42/63/979294263.db2.gz ULYBRXKGDWFSQJ-RISCZKNCSA-N 2 0 242.326 1.257 20 0 BDADRP CCN(CC[C@H]1CCCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC001236004601 979294863 /nfs/dbraw/zinc/29/48/63/979294863.db2.gz GJMVKLJXUHFIBQ-KGLIPLIRSA-N 2 0 239.407 1.593 20 0 BDADRP CCN(CCC1CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC001236007348 979297988 /nfs/dbraw/zinc/29/79/88/979297988.db2.gz YJCRJEVGBCRMHV-AWEZNQCLSA-N 2 0 239.407 1.450 20 0 BDADRP C[C@H]1C[C@@H]([NH3+])CN(C[C@H]([NH3+])Cc2ccccc2)C1 ZINC001236044872 979333120 /nfs/dbraw/zinc/33/31/20/979333120.db2.gz ORHFOKNDDQNEMR-NWANDNLSSA-N 2 0 247.386 1.226 20 0 BDADRP [NH3+]CCCC[NH+]1CCC(c2cccnc2)CC1 ZINC001236085946 979374369 /nfs/dbraw/zinc/37/43/69/979374369.db2.gz IEJGGKYUWDJZMT-UHFFFAOYSA-N 2 0 233.359 2.000 20 0 BDADRP CN(CC[C@@H]1CCC[NH2+]C1)C[C@@H]1CCC[NH2+]1 ZINC001236117017 979391236 /nfs/dbraw/zinc/39/12/36/979391236.db2.gz WCMYLCCXDNGOTN-STQMWFEESA-N 2 0 225.380 1.060 20 0 BDADRP CC[NH2+]CCN1CC[NH2+]C[C@@H]1c1cccs1 ZINC001236110629 979392643 /nfs/dbraw/zinc/39/26/43/979392643.db2.gz DEHGTNIMCMYXFW-LLVKDONJSA-N 2 0 239.388 1.304 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](C)N1CC[C@H]1CCCC[NH2+]1 ZINC001236103901 979393927 /nfs/dbraw/zinc/39/39/27/979393927.db2.gz FMUGKOZCDMJFMG-JHJVBQTASA-N 2 0 225.380 1.201 20 0 BDADRP Fc1ccc([C@H]2C[NH2+]CCN2C[C@@H]2CC[NH2+]2)cc1 ZINC001236131142 979401247 /nfs/dbraw/zinc/40/12/47/979401247.db2.gz VGZUDFWHYRLOBF-UONOGXRCSA-N 2 0 249.333 1.134 20 0 BDADRP C[NH+](C)CCCn1cc(-c2c[nH+]ccc2N)cn1 ZINC001236149781 979415457 /nfs/dbraw/zinc/41/54/57/979415457.db2.gz GTFVSFHIXZRKKQ-UHFFFAOYSA-N 2 0 245.330 1.309 20 0 BDADRP CN(CC[C@@H]1CCCC[NH2+]1)[C@@]1(C)CCC[NH2+]C1 ZINC001236202262 979450301 /nfs/dbraw/zinc/45/03/01/979450301.db2.gz PLNHYWGCNATYNO-KBPBESRZSA-N 2 0 239.407 1.593 20 0 BDADRP Cc1cnccc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314242 979526392 /nfs/dbraw/zinc/52/63/92/979526392.db2.gz ABLUIBGTWALSNM-GASCZTMLSA-N 2 0 245.370 1.821 20 0 BDADRP c1nc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cs1 ZINC001236316524 979528439 /nfs/dbraw/zinc/52/84/39/979528439.db2.gz UCUJTTJAYXEMFA-PHIMTYICSA-N 2 0 237.372 1.575 20 0 BDADRP Cc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)nc1 ZINC001236320179 979534169 /nfs/dbraw/zinc/53/41/69/979534169.db2.gz KSJWGEPSADEWSB-OKILXGFUSA-N 2 0 245.370 1.821 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)[C@]23C[C@H]2CCC[NH2+]3)cc1 ZINC001341749373 979543523 /nfs/dbraw/zinc/54/35/23/979543523.db2.gz BLZAOEJELCUVAT-RISCZKNCSA-N 2 0 245.326 1.226 20 0 BDADRP [NH3+]Cc1cc(-c2cccc3c2CC[NH2+]C3)ccn1 ZINC001236356363 979549006 /nfs/dbraw/zinc/54/90/06/979549006.db2.gz YAUDLIUJMHFXHH-UHFFFAOYSA-N 2 0 239.322 1.853 20 0 BDADRP C[NH2+]CCN(C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236372708 979573241 /nfs/dbraw/zinc/57/32/41/979573241.db2.gz SZUIXBPUCRUDSF-CYBMUJFWSA-N 2 0 239.407 1.450 20 0 BDADRP C[C@H]([NH3+])CN(C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236374142 979573289 /nfs/dbraw/zinc/57/32/89/979573289.db2.gz PFZRQQHIMQINSQ-STQMWFEESA-N 2 0 239.407 1.578 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001236416705 979593204 /nfs/dbraw/zinc/59/32/04/979593204.db2.gz VVHIJUOUHWISHR-JHJVBQTASA-N 3 0 225.380 1.188 20 0 BDADRP C[NH2+]CCN(CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236455582 979598769 /nfs/dbraw/zinc/59/87/69/979598769.db2.gz WFJFRQFKYFPMTE-UHFFFAOYSA-N 2 0 227.396 1.306 20 0 BDADRP [NH3+]CCN(Cc1ccccc1)C[C@@H]1CCC[NH2+]1 ZINC001236522053 979616481 /nfs/dbraw/zinc/61/64/81/979616481.db2.gz KFXZSCYFEIVEHD-AWEZNQCLSA-N 2 0 233.359 1.199 20 0 BDADRP CC(C)N(CC1(C)CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC001236525569 979617994 /nfs/dbraw/zinc/61/79/94/979617994.db2.gz HQRPCFOFNWWLQC-CYBMUJFWSA-N 2 0 239.407 1.448 20 0 BDADRP CC(C)N(C[C@@H]([NH3+])c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC001236525581 979619061 /nfs/dbraw/zinc/61/90/61/979619061.db2.gz IJDWAPYZMNCVQF-HUUCEWRRSA-N 2 0 247.386 1.759 20 0 BDADRP CC(C)N(CCC1CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC001236529208 979622449 /nfs/dbraw/zinc/62/24/49/979622449.db2.gz XGNRBFMQUUEGBK-CQSZACIVSA-N 2 0 239.407 1.448 20 0 BDADRP [NH3+][C@H]1CC[C@H]([N@H+](CCCO)CC2CCC2)CC1 ZINC001236541606 979625111 /nfs/dbraw/zinc/62/51/11/979625111.db2.gz NGTBXADKEBXVAG-HDJSIYSDSA-N 2 0 240.391 1.741 20 0 BDADRP C[C@H]1CN(CC(C)(C)C[NH+](C)C)C[C@H](C)[NH2+]1 ZINC001236577013 979645421 /nfs/dbraw/zinc/64/54/21/979645421.db2.gz QTWSIPXRNDEOQQ-RYUDHWBXSA-N 2 0 227.396 1.256 20 0 BDADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)NCCC[NH2+]C1CC1 ZINC001342124516 979668848 /nfs/dbraw/zinc/66/88/48/979668848.db2.gz JXOHXGJJUHUQEZ-CMPLNLGQSA-N 2 0 241.379 1.008 20 0 BDADRP C([C@H]1CC[NH2+]1)N([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236649307 979688477 /nfs/dbraw/zinc/68/84/77/979688477.db2.gz WBTQKZTXFURDGG-TZMCWYRMSA-N 2 0 237.391 1.345 20 0 BDADRP NCC[N@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236681568 979694123 /nfs/dbraw/zinc/69/41/23/979694123.db2.gz FOJYMWLMGMZUES-SHTZXODSSA-N 2 0 247.386 1.717 20 0 BDADRP C[C@@H]1CC[C@H](NC(=O)C[C@@H]([NH3+])C(C)(C)C)C[NH2+]1 ZINC001342230213 979722233 /nfs/dbraw/zinc/72/22/33/979722233.db2.gz YTPYRRINYZCHAS-OUAUKWLOSA-N 2 0 241.379 1.007 20 0 BDADRP C[C@]1([NH3+])CCCN(C[C@@H]([NH3+])c2ccccc2)CC1 ZINC001205255125 979732332 /nfs/dbraw/zinc/73/23/32/979732332.db2.gz HEIKIWREZFEOJT-CABCVRRESA-N 2 0 247.386 1.890 20 0 BDADRP CC1(C[N@@H+]2CCC[C@](C)([NH3+])CC2)CC[NH2+]CC1 ZINC001205255815 979738918 /nfs/dbraw/zinc/73/89/18/979738918.db2.gz LGTIDBYKCAYQIN-AWEZNQCLSA-N 3 0 239.407 1.579 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC[C@@H]3CCCC[NH2+]3)C[C@H]12 ZINC001236821653 979747721 /nfs/dbraw/zinc/74/77/21/979747721.db2.gz WARWIKMLZKFUFV-ZOBORPQBSA-N 3 0 237.391 1.188 20 0 BDADRP CCCC[NH+]1CCC(N(C)C[C@H](C)[NH3+])CC1 ZINC001236848151 979758514 /nfs/dbraw/zinc/75/85/14/979758514.db2.gz NMTQHYCGTSQEPE-LBPRGKRZSA-N 2 0 227.396 1.530 20 0 BDADRP C[C@]1([NH3+])CCC[N@H+](C[C@H]2CCC=CO2)CC1 ZINC001205257427 979759381 /nfs/dbraw/zinc/75/93/81/979759381.db2.gz VMRKGEUVDZLJHN-OLZOCXBDSA-N 2 0 224.348 1.882 20 0 BDADRP OCC[NH+]1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236948780 979797100 /nfs/dbraw/zinc/79/71/00/979797100.db2.gz RWNXUJCJVCZUPJ-UHFFFAOYSA-N 2 0 226.364 1.080 20 0 BDADRP C[C@@H]1C(=O)CC[N@H+](CCCC[NH3+])C12CCCC2 ZINC001237190731 979843304 /nfs/dbraw/zinc/84/33/04/979843304.db2.gz IBVSVHRIDXAADU-GFCCVEGCSA-N 2 0 238.375 1.949 20 0 BDADRP CC[NH2+][C@@H](C)C(=O)N[C@@H](C)CC[NH+](CC)CC ZINC001342632717 979846716 /nfs/dbraw/zinc/84/67/16/979846716.db2.gz ODDLJYNEHTUSAY-RYUDHWBXSA-N 2 0 243.395 1.221 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CCNC2=CCCC[C@H]21 ZINC001237221885 979852369 /nfs/dbraw/zinc/85/23/69/979852369.db2.gz YLCZKNNAWVAHHF-CQSZACIVSA-N 2 0 237.391 1.847 20 0 BDADRP C[C@@H]([NH3+])CN1Cc2ccccc2C12CC[NH2+]CC2 ZINC001237305981 979864255 /nfs/dbraw/zinc/86/42/55/979864255.db2.gz YTROLNCPGHDOFA-GFCCVEGCSA-N 2 0 245.370 1.428 20 0 BDADRP [NH3+]C12CC(CCN3CC[C@H]4[NH2+]CCC[C@@H]4C3)(C1)C2 ZINC001237375211 979879234 /nfs/dbraw/zinc/87/92/34/979879234.db2.gz LLPQJHRUFKJMAP-LMRVLLHPSA-N 2 0 249.402 1.332 20 0 BDADRP Fc1ccc(CC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC001342865368 979923811 /nfs/dbraw/zinc/92/38/11/979923811.db2.gz ZRDODQNCKNTZFJ-CHWSQXEVSA-N 2 0 234.318 1.519 20 0 BDADRP CCc1n[nH]cc1C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001237653718 980023048 /nfs/dbraw/zinc/02/30/48/980023048.db2.gz NMKYWUSLXJBSMT-UHFFFAOYSA-N 2 0 248.374 1.500 20 0 BDADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N(C)C1(C[NH3+])CCC1 ZINC001343503986 980127638 /nfs/dbraw/zinc/12/76/38/980127638.db2.gz CZRLHFGNYIKQKD-QWRGUYRKSA-N 2 0 241.379 1.090 20 0 BDADRP C[NH+](C)C1(C)CN(Cc2cccc3c[nH+]cn32)C1 ZINC001238118795 980168908 /nfs/dbraw/zinc/16/89/08/980168908.db2.gz LZUFTURAEGBICR-UHFFFAOYSA-N 2 0 244.342 1.470 20 0 BDADRP C[NH+](C)Cc1ccc(C2=CCC[NH2+]CC2)nc1 ZINC001238936783 980374786 /nfs/dbraw/zinc/37/47/86/980374786.db2.gz NMUQKZHYJRWJQS-UHFFFAOYSA-N 2 0 231.343 1.910 20 0 BDADRP C[NH+](C)Cc1ccnc(C2=CCC[NH2+]CC2)c1 ZINC001238940042 980378390 /nfs/dbraw/zinc/37/83/90/980378390.db2.gz IARADRJUCLCDSM-UHFFFAOYSA-N 2 0 231.343 1.910 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@](C)(CO)C2)CC[NH2+]1 ZINC001345100908 980548302 /nfs/dbraw/zinc/54/83/02/980548302.db2.gz VVRWOIDPGFLETD-HZSPNIEDSA-N 2 0 240.391 1.469 20 0 BDADRP [NH3+]Cc1ccccc1NC(=O)CC1([NH3+])CCC1 ZINC001345716580 980676252 /nfs/dbraw/zinc/67/62/52/980676252.db2.gz VPMJTIOYLBZRGV-UHFFFAOYSA-N 2 0 233.315 1.355 20 0 BDADRP COC(=O)[C@H](C)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001346017173 980726301 /nfs/dbraw/zinc/72/63/01/980726301.db2.gz KXRBOAIJNAZDMJ-NSHDSACASA-N 2 0 240.347 1.014 20 0 BDADRP Cc1nc(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)co1 ZINC001205545206 980939368 /nfs/dbraw/zinc/93/93/68/980939368.db2.gz AMASYZDLXIVWDI-LBPRGKRZSA-N 2 0 241.310 1.636 20 0 BDADRP C[NH2+]Cc1ccccc1-c1cncc(C[NH3+])c1 ZINC001239809447 980948839 /nfs/dbraw/zinc/94/88/39/980948839.db2.gz SAYOONKUBVBIQW-UHFFFAOYSA-N 2 0 227.311 1.927 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)[C@@H](C)O)C1 ZINC001191391030 981024025 /nfs/dbraw/zinc/02/40/25/981024025.db2.gz UCDCSBCSRFSZNJ-TUAOUCFPSA-N 2 0 214.353 1.029 20 0 BDADRP C[C@H]1CC[N@H+](Cc2ncc[nH]2)CC[C@H]1C[NH3+] ZINC001205603599 981173739 /nfs/dbraw/zinc/17/37/39/981173739.db2.gz QURKBUDVWYEXCF-QWRGUYRKSA-N 2 0 222.336 1.217 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2cccnc2)CC[C@@H]1C[NH3+] ZINC001205604825 981182197 /nfs/dbraw/zinc/18/21/97/981182197.db2.gz XVNUKWPSMGXEBD-TZMCWYRMSA-N 2 0 233.359 1.888 20 0 BDADRP c1[nH]nc2c1cccc2C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC001348515750 981379699 /nfs/dbraw/zinc/37/96/99/981379699.db2.gz OXLBNEBKRIQUFF-CYBMUJFWSA-N 2 0 244.342 1.795 20 0 BDADRP C[C@@]1(C[NH2+][C@H]2CC[NH2+]C23CCCC3)CCOC1 ZINC000925485087 981447887 /nfs/dbraw/zinc/44/78/87/981447887.db2.gz APTBLJHEUMAGJL-STQMWFEESA-N 2 0 238.375 1.677 20 0 BDADRP [NH3+]CCc1ccccc1C1=CCC[NH2+]C1 ZINC001240669757 981577455 /nfs/dbraw/zinc/57/74/55/981577455.db2.gz SKHVCTYCKYIKFP-UHFFFAOYSA-N 2 0 202.301 1.565 20 0 BDADRP OC1(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)CCCCC1 ZINC001580879419 981670909 /nfs/dbraw/zinc/67/09/09/981670909.db2.gz AECABGOZSQQPTF-OLZOCXBDSA-N 2 0 238.375 1.223 20 0 BDADRP O[C@@]1(C[NH2+][C@H]2CC3CCC2CC3)CCC[NH2+]C1 ZINC001580880101 981673764 /nfs/dbraw/zinc/67/37/64/981673764.db2.gz JHVHIZAJBDXNJV-HOAMVYINSA-N 2 0 238.375 1.269 20 0 BDADRP OCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001580883566 981694962 /nfs/dbraw/zinc/69/49/62/981694962.db2.gz UXJWEYPXYWFJJC-AGIUHOORSA-N 2 0 226.364 1.127 20 0 BDADRP O=c1cc(C[NH2+]C[C@@H]2CCC[NH2+]CC2)cc[nH]1 ZINC001580888008 981714071 /nfs/dbraw/zinc/71/40/71/981714071.db2.gz DOLYQPRZOSYNIT-LLVKDONJSA-N 2 0 235.331 1.267 20 0 BDADRP C[C@@H](C(=O)N(C)C1(C[NH3+])CCCCC1)[NH+](C)C ZINC001349864610 981799584 /nfs/dbraw/zinc/79/95/84/981799584.db2.gz LQVZBUDEQXVOPG-NSHDSACASA-N 2 0 241.379 1.057 20 0 BDADRP Cc1cnccc1C[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205673868 981862158 /nfs/dbraw/zinc/86/21/58/981862158.db2.gz VBNOFRAAVXHIQI-AWEZNQCLSA-N 2 0 249.358 1.066 20 0 BDADRP C[NH+](C)Cc1cncc(C2=CC[N@H+](C)CC2)c1 ZINC001241329913 982490541 /nfs/dbraw/zinc/49/05/41/982490541.db2.gz FDUHQAFAISGOEX-UHFFFAOYSA-N 2 0 231.343 1.862 20 0 BDADRP C[C@H]([NH3+])c1ccc(C2=CC[N@H+](C)CC2)cn1 ZINC001241331793 982497190 /nfs/dbraw/zinc/49/71/90/982497190.db2.gz DDTQKETTWAZDEZ-JTQLQIEISA-N 2 0 217.316 1.820 20 0 BDADRP C[C@H]1CC[C@@H](C[NH3+])N(C[C@@H]([NH3+])c2ccccc2)C1 ZINC001205805046 982567144 /nfs/dbraw/zinc/56/71/44/982567144.db2.gz POFTWBNVGXWMKX-AEGPPILISA-N 2 0 247.386 1.746 20 0 BDADRP C[C@@H]1CC[C@H](CN)[N@H+](CCC2CC[NH2+]CC2)C1 ZINC001205807119 982574440 /nfs/dbraw/zinc/57/44/40/982574440.db2.gz YAVAFCARIQLJSA-TZMCWYRMSA-N 2 0 239.407 1.435 20 0 BDADRP COC1(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CCC1 ZINC001352876396 982621510 /nfs/dbraw/zinc/62/15/10/982621510.db2.gz KPLPGNLYOHAZIL-TXEJJXNPSA-N 2 0 226.364 1.485 20 0 BDADRP c1nn(C2C[NH2+]C2)cc1-c1[nH+]ccc2c1CCN2 ZINC001241591499 982836412 /nfs/dbraw/zinc/83/64/12/982836412.db2.gz AIPJHONHJCTCMP-UHFFFAOYSA-N 2 0 241.298 1.057 20 0 BDADRP [NH3+]Cc1cccc(-c2cnn(C3C[NH2+]C3)c2)c1 ZINC001241604024 982839747 /nfs/dbraw/zinc/83/97/47/982839747.db2.gz ZAGXYJHIHCAQKQ-UHFFFAOYSA-N 2 0 228.299 1.153 20 0 BDADRP c1nn(C2C[NH2+]C2)cc1-c1cccc2c[nH+]cn21 ZINC001241612280 982849532 /nfs/dbraw/zinc/84/95/32/982849532.db2.gz RZIDDZQCJBGRNN-UHFFFAOYSA-N 2 0 239.282 1.342 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCCOC2)C1 ZINC001199842934 983025817 /nfs/dbraw/zinc/02/58/17/983025817.db2.gz JNRWPRJZKMAPQZ-KGLIPLIRSA-N 2 0 240.391 1.735 20 0 BDADRP Nc1cc[nH+]c(-c2cnn(C3CC[NH2+]CC3)c2)c1 ZINC001241772249 983040453 /nfs/dbraw/zinc/04/04/53/983040453.db2.gz HZOCIPVUICYVDM-UHFFFAOYSA-N 2 0 243.314 1.452 20 0 BDADRP CC(C)(C)[C@H]([NH3+])CC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC001353949823 983097205 /nfs/dbraw/zinc/09/72/05/983097205.db2.gz WVPBLQONKUHKPC-GMTAPVOTSA-N 2 0 241.379 1.136 20 0 BDADRP CC(C)C[C@@H]([NH3+])CC(=O)NCC[C@@H]([NH3+])C(C)C ZINC001354319436 983280083 /nfs/dbraw/zinc/28/00/83/983280083.db2.gz SCLLVUXLDVTVLC-VXGBXAGGSA-N 2 0 243.395 1.240 20 0 BDADRP Cc1cc(N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)nc(N)[nH+]1 ZINC001354393916 983296329 /nfs/dbraw/zinc/29/63/29/983296329.db2.gz DCBQEIRGAURPRI-OUAUKWLOSA-N 2 0 247.346 1.119 20 0 BDADRP CCCC[C@H](O)C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001252094536 983533764 /nfs/dbraw/zinc/53/37/64/983533764.db2.gz PQGGELZQYXSBJU-ZDUSSCGKSA-N 2 0 240.391 1.565 20 0 BDADRP CN1CCCC[C@H]1C(=O)Nc1ccccc1C[NH3+] ZINC001355718152 983535811 /nfs/dbraw/zinc/53/58/11/983535811.db2.gz DTLAAWQWSNQCIM-ZDUSSCGKSA-N 2 0 247.342 1.568 20 0 BDADRP C[C@@H](CC[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1)CC(C)(C)C ZINC001205947034 983672301 /nfs/dbraw/zinc/67/23/01/983672301.db2.gz VIFHVUBXXWDKEQ-YNEHKIRRSA-N 2 0 242.407 1.843 20 0 BDADRP CC[C@H](C)C[C@H]([NH3+])C(=O)Nc1ccc(C[NH3+])cc1 ZINC001357454408 983718165 /nfs/dbraw/zinc/71/81/65/983718165.db2.gz VJLNWFMMCDDQST-GWCFXTLKSA-N 2 0 249.358 1.847 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001357457916 983719942 /nfs/dbraw/zinc/71/99/42/983719942.db2.gz PYVXAUXAJJFLPG-WOPDTQHZSA-N 2 0 241.379 1.136 20 0 BDADRP C[NH2+]C[C@H](C)NC(=O)[C@H]([NH3+])C1CCCCCC1 ZINC001357888514 983801092 /nfs/dbraw/zinc/80/10/92/983801092.db2.gz FEGCRLLCJXESGH-CMPLNLGQSA-N 2 0 241.379 1.008 20 0 BDADRP CN1CCC[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]21 ZINC001202597818 984102542 /nfs/dbraw/zinc/10/25/42/984102542.db2.gz GOJDVIFBKIOUSD-KGLIPLIRSA-N 2 0 238.375 1.439 20 0 BDADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC001576105924 984150270 /nfs/dbraw/zinc/15/02/70/984150270.db2.gz XPOMNWWANJOKSH-BMLQCNMVSA-N 2 0 224.348 1.125 20 0 BDADRP C[C@H]1CC[C@H]([NH2+][C@H]2C[C@H]([NH3+])C2)CS1 ZINC001576671140 984179256 /nfs/dbraw/zinc/17/92/56/984179256.db2.gz RUKYQHDISYENCR-XKNYDFJKSA-N 2 0 200.351 1.350 20 0 BDADRP CCOC(=O)[C@H](C)[C@H](C)[NH2+]C[C@@H](C[NH3+])C(C)C ZINC001577908511 984200546 /nfs/dbraw/zinc/20/05/46/984200546.db2.gz KNOYAHMRNJVEPF-GRYCIOLGSA-N 2 0 244.379 1.395 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CCC([NH3+])CC3)[C@@H]2C1 ZINC001578520744 984214833 /nfs/dbraw/zinc/21/48/33/984214833.db2.gz GEPUEUARRLXNOD-YOMYCBHVSA-N 3 0 237.391 1.186 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+][C@H](C)CC(C)C ZINC001579002030 984247733 /nfs/dbraw/zinc/24/77/33/984247733.db2.gz NCWXMMKGWXCOBT-MNOVXSKESA-N 2 0 202.342 1.374 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+]CC1(COC)CCCC1 ZINC001579003358 984251943 /nfs/dbraw/zinc/25/19/43/984251943.db2.gz GFLGCQAZTXZYNH-LBPRGKRZSA-N 2 0 244.379 1.147 20 0 BDADRP Cc1cc(CN2CCCO[C@@H](C[NH3+])C2)cc(C)n1 ZINC001579598060 984292831 /nfs/dbraw/zinc/29/28/31/984292831.db2.gz ACLFPDYTZFDFHN-AWEZNQCLSA-N 2 0 249.358 1.248 20 0 BDADRP C[NH2+]Cc1ccc(-c2ncc3c(n2)C[NH2+]C3)cc1 ZINC001242990549 984352995 /nfs/dbraw/zinc/35/29/95/984352995.db2.gz MFNVBBHRMYAAQR-UHFFFAOYSA-N 2 0 240.310 1.466 20 0 BDADRP CC[N@H+]1C[C@@H]2CCN(CC[NH+](C)C)CC[C@@H]2C1 ZINC001275086409 984479560 /nfs/dbraw/zinc/47/95/60/984479560.db2.gz LDPGVHVNXARPOZ-OKILXGFUSA-N 2 0 239.407 1.212 20 0 BDADRP C[N@H+](Cc1ccc(C2=CC[NH2+]C2)nc1)C1CC1 ZINC001243109380 984560754 /nfs/dbraw/zinc/56/07/54/984560754.db2.gz MDHOPAJCUJFBKQ-UHFFFAOYSA-N 2 0 229.327 1.662 20 0 BDADRP C1=C(c2cccc3c2C[NH2+]CC3)C[NH2+]C1 ZINC001243111996 984580514 /nfs/dbraw/zinc/58/05/14/984580514.db2.gz LNMRSZBALBTPGA-UHFFFAOYSA-N 2 0 200.285 1.319 20 0 BDADRP O[C@H]1CCCC[C@H]1CC[NH2+][C@@H]1CCCNC1 ZINC001580885595 984616823 /nfs/dbraw/zinc/61/68/23/984616823.db2.gz GGQXIBPKICUHGB-XQQFMLRXSA-N 2 0 226.364 1.269 20 0 BDADRP CC[NH+](CC)[C@H](C)CNCC[NH2+]C(C)(C)C ZINC001577697247 984637658 /nfs/dbraw/zinc/63/76/58/984637658.db2.gz FIEXEASYKDDKAS-GFCCVEGCSA-N 2 0 229.412 1.694 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]C1CC(C[NH3+])C1 ZINC001577687382 984638178 /nfs/dbraw/zinc/63/81/78/984638178.db2.gz DCRABAKZMYCGIA-PNESKVBLSA-N 3 0 227.396 1.434 20 0 BDADRP CC[NH+](CC)CCCN1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001577687457 984642236 /nfs/dbraw/zinc/64/22/36/984642236.db2.gz HDQVOTCSLOHZIJ-KGLIPLIRSA-N 3 0 239.407 1.260 20 0 BDADRP CC[N@H+](CC[C@H]1CCOC1=O)C1CC[NH2+]CC1 ZINC001577713286 984648383 /nfs/dbraw/zinc/64/83/83/984648383.db2.gz WCSDVYGIFAICMT-NSHDSACASA-N 2 0 240.347 1.014 20 0 BDADRP CCN(Cc1cc[nH]c(=O)c1)[C@H]1CCC[NH2+]C1 ZINC001577734080 984698743 /nfs/dbraw/zinc/69/87/43/984698743.db2.gz DNWIZMHXRHZIII-LBPRGKRZSA-N 2 0 235.331 1.361 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H]2C[NH2+]CC2(C)C)CC1 ZINC001577763889 984740401 /nfs/dbraw/zinc/74/04/01/984740401.db2.gz LUSFEPPCOMPJDF-ZDUSSCGKSA-N 2 0 239.407 1.306 20 0 BDADRP CCN1CCC[C@H]([NH2+][C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001577770665 984784427 /nfs/dbraw/zinc/78/44/27/984784427.db2.gz MWZWMIOAUXWHQF-AVGNSLFASA-N 2 0 225.380 1.330 20 0 BDADRP CCOC(=O)[C@H]1CC[N@H+](C[C@H](C[NH3+])C(C)C)C1 ZINC001577936062 984822877 /nfs/dbraw/zinc/82/28/77/984822877.db2.gz NAPBDPUWCGFPQO-RYUDHWBXSA-N 2 0 242.363 1.102 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCCO1 ZINC000925500809 984826755 /nfs/dbraw/zinc/82/67/55/984826755.db2.gz FSNBVRPVFBWWKZ-IJLVLRJLSA-N 2 0 224.348 1.271 20 0 BDADRP CCOC(OCC)[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC001578075735 984839007 /nfs/dbraw/zinc/83/90/07/984839007.db2.gz QRRDJICTUSLDCY-DCAQKATOSA-N 2 0 244.379 1.489 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+][C@H]2C[C@H]([NH3+])C2)C12CCCC2 ZINC001578093076 984845853 /nfs/dbraw/zinc/84/58/53/984845853.db2.gz FIHDSEVWTGLEAT-CYDGBPFRSA-N 2 0 238.375 1.804 20 0 BDADRP CCO[C@@H]1CCC[C@@H]([NH2+]CCOCCC[NH3+])C1 ZINC001578097928 984848506 /nfs/dbraw/zinc/84/85/06/984848506.db2.gz NKPZUIOXTZQLFZ-CHWSQXEVSA-N 2 0 244.379 1.289 20 0 BDADRP CCO[C@@]1(C)C[C@H]1[NH2+]C[C@H](C[NH3+])C(C)C ZINC001578160797 984863750 /nfs/dbraw/zinc/86/37/50/984863750.db2.gz DCROYXHAYYHZHY-TUAOUCFPSA-N 2 0 214.353 1.374 20 0 BDADRP CCO[C@@]1(C)C[C@H]1[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC001578161643 984865397 /nfs/dbraw/zinc/86/53/97/984865397.db2.gz TUZVCNHRIZHNKJ-KXNHARMFSA-N 2 0 224.348 1.413 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C1 ZINC001578161668 984865734 /nfs/dbraw/zinc/86/57/34/984865734.db2.gz UUKSMTMEVDKYBB-IJLUTSLNSA-N 2 0 212.337 1.143 20 0 BDADRP CCC[C@@H](C)[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC001257306291 984878182 /nfs/dbraw/zinc/87/81/82/984878182.db2.gz PKYONTHSXZXDFY-CYBMUJFWSA-N 2 0 241.423 1.791 20 0 BDADRP CC1CC(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000691904027 984909946 /nfs/dbraw/zinc/90/99/46/984909946.db2.gz FJKDMHIDADNFMD-AOVJVNSTSA-N 2 0 220.360 1.619 20 0 BDADRP CCc1ccc2c(c1)C[N@@H+](C[C@](C)(O)C[NH3+])CC2 ZINC001578263788 984911595 /nfs/dbraw/zinc/91/15/95/984911595.db2.gz YCIHNUDXIBYWCV-OAHLLOKOSA-N 2 0 248.370 1.317 20 0 BDADRP CCn1cc([C@@H](C)[NH2+]C2CC3(C[C@H]3[NH3+])C2)cn1 ZINC001578344387 984973744 /nfs/dbraw/zinc/97/37/44/984973744.db2.gz RNXLTTJUYKMTTE-GJZUFXHJSA-N 2 0 234.347 1.433 20 0 BDADRP CCn1ccc(C[NH+]2CCC3(C[NH2+]C3)CC2)n1 ZINC001578353396 984993070 /nfs/dbraw/zinc/99/30/70/984993070.db2.gz FTZRRNSCGKTAJA-UHFFFAOYSA-N 2 0 234.347 1.088 20 0 BDADRP CCn1ccc(C[N@@H+]2CC[C@H](CC[NH3+])C2)n1 ZINC001578353645 984993125 /nfs/dbraw/zinc/99/31/25/984993125.db2.gz NWRKSAPRNBTRLP-NSHDSACASA-N 2 0 222.336 1.074 20 0 BDADRP CCn1cncc1C[NH2+]C1CC2(CC([NH3+])C2)C1 ZINC001578357284 985001851 /nfs/dbraw/zinc/00/18/51/985001851.db2.gz QSJVBENAUMQHTO-UHFFFAOYSA-N 2 0 234.347 1.263 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+](CC1CCC1)CC2 ZINC001202776236 985086464 /nfs/dbraw/zinc/08/64/64/985086464.db2.gz PJODUHMWUDNRLZ-UHFFFAOYSA-N 2 0 208.349 1.814 20 0 BDADRP C[N@H+](CCN1C[C@@H]2C[C@H]1C[NH2+]2)Cc1ccccc1 ZINC001578472569 985106310 /nfs/dbraw/zinc/10/63/10/985106310.db2.gz BBLZALLUXIUYTR-GJZGRUSLSA-N 2 0 245.370 1.165 20 0 BDADRP Cn1cc([C@@H]2C[C@H]2C[N@H+](C)C2CC[NH2+]CC2)cn1 ZINC001578482611 985114071 /nfs/dbraw/zinc/11/40/71/985114071.db2.gz JWBRCKYYIJMMRP-SMDDNHRTSA-N 2 0 248.374 1.207 20 0 BDADRP C[N@H+](C[C@H]1CC[C@@H]([NH3+])C1)[C@H]1CC(C)(C)OC1=O ZINC001578486377 985115458 /nfs/dbraw/zinc/11/54/58/985115458.db2.gz OMWLYXZRSZNBCG-AXFHLTTASA-N 2 0 240.347 1.140 20 0 BDADRP C[N@@H+](Cc1ccnc(N)c1)CC1CC[NH2+]CC1 ZINC001578498344 985119748 /nfs/dbraw/zinc/11/97/48/985119748.db2.gz GMJKOINJJRWEKT-UHFFFAOYSA-N 2 0 234.347 1.095 20 0 BDADRP C[N@@H+](Cc1cccnc1N)CC1CC[NH2+]CC1 ZINC001578497082 985122000 /nfs/dbraw/zinc/12/20/00/985122000.db2.gz IOUSJARZYOXUTA-UHFFFAOYSA-N 2 0 234.347 1.095 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@@H](NCC[NH2+]C(C)(C)C)[C@@H]2C1 ZINC001578520765 985140780 /nfs/dbraw/zinc/14/07/80/985140780.db2.gz GHUVHRXMYAXNRS-YNEHKIRRSA-N 2 0 239.407 1.304 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+]C2CC3(C[C@H]3[NH3+])C2)C1 ZINC001578528640 985156036 /nfs/dbraw/zinc/15/60/36/985156036.db2.gz IYLVNWJXJSLCAD-NELGMTEASA-N 3 0 237.391 1.188 20 0 BDADRP C[N@@H+]1CC[C@@H]2CN(C[C@]3(C)CCC[NH2+]C3)C[C@@H]21 ZINC001578541034 985171160 /nfs/dbraw/zinc/17/11/60/985171160.db2.gz MEQQQSKDECTOBU-HZSPNIEDSA-N 2 0 237.391 1.012 20 0 BDADRP C[NH2+]C[C@H](O)C[N@H+](C)C[C@H]1CCCC[C@@H]1C ZINC001578652177 985257712 /nfs/dbraw/zinc/25/77/12/985257712.db2.gz FWYVCEYMVVEWSW-XQQFMLRXSA-N 2 0 228.380 1.325 20 0 BDADRP C[NH2+]C[C@@H](O)C[NH2+]C1(C2CCCCC2)CC1 ZINC001578654716 985269494 /nfs/dbraw/zinc/26/94/94/985269494.db2.gz XRQRVQSPBNMCGZ-GFCCVEGCSA-N 2 0 226.364 1.269 20 0 BDADRP C[NH2+]CCC[N@H+](C)CC12CC(C)(C1)OC2 ZINC001578687514 985293198 /nfs/dbraw/zinc/29/31/98/985293198.db2.gz UFOKZUGBRSHWAI-UHFFFAOYSA-N 2 0 212.337 1.097 20 0 BDADRP COC(=O)CC[N@H+](CCC1C[NH2+]C1)CC(C)C ZINC001578804920 985376043 /nfs/dbraw/zinc/37/60/43/985376043.db2.gz NLMAFAGPDPCLDQ-UHFFFAOYSA-N 2 0 242.363 1.117 20 0 BDADRP COC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC001578832597 985411229 /nfs/dbraw/zinc/41/12/29/985411229.db2.gz GDGXVPSJQGCLQY-HCWSGVFWSA-N 2 0 240.347 1.188 20 0 BDADRP COC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CC(CC[NH3+])C1 ZINC001578832614 985411789 /nfs/dbraw/zinc/41/17/89/985411789.db2.gz HDIZUOSWOCRBMN-HCWSGVFWSA-N 2 0 240.347 1.045 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC001578897773 985439477 /nfs/dbraw/zinc/43/94/77/985439477.db2.gz YQZHIAXYGKNBSX-JXUBOQSCSA-N 2 0 200.326 1.125 20 0 BDADRP C[C@H]1COC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000688003948 985468718 /nfs/dbraw/zinc/46/87/18/985468718.db2.gz AVEWWLGKHXSYJY-OFIBSPLFSA-N 2 0 224.348 1.236 20 0 BDADRP CO[C@@](C)(C[NH2+]C1CC2(CC([NH3+])C2)C1)C1CC1 ZINC001578896793 985475888 /nfs/dbraw/zinc/47/58/88/985475888.db2.gz QQKDKYRJBXWQPG-RFPFOJJUSA-N 2 0 238.375 1.661 20 0 BDADRP C[C@H](C[NH2+][C@@H]1COC[C@@H]1C)C[NH+]1CCCCC1 ZINC000688025464 985498371 /nfs/dbraw/zinc/49/83/71/985498371.db2.gz PEXXDAQWIIMOQW-HZSPNIEDSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1COC[C@@H]1[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000688028881 985503110 /nfs/dbraw/zinc/50/31/10/985503110.db2.gz IMWBYNBRCGOEPN-UTUOFQBUSA-N 2 0 212.337 1.095 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2COC[C@@H]2C)C1 ZINC000688030322 985506512 /nfs/dbraw/zinc/50/65/12/985506512.db2.gz QXDIHBQLQROKGR-YNEHKIRRSA-N 2 0 226.364 1.343 20 0 BDADRP COC1(C[NH2+]C2CC3(C[C@@H]3[NH3+])C2)CCC1 ZINC001578930889 985531599 /nfs/dbraw/zinc/53/15/99/985531599.db2.gz ZXZMGPIJIBSMBM-YVNMAJEFSA-N 2 0 210.321 1.025 20 0 BDADRP COC1CCC([NH2+][C@H]2CC[NH2+][C@@H]2C)CC1 ZINC001578937947 985550469 /nfs/dbraw/zinc/55/04/69/985550469.db2.gz NXJOHUOJUZQJSC-YYJSSNLHSA-N 2 0 212.337 1.284 20 0 BDADRP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C1 ZINC001578939187 985551501 /nfs/dbraw/zinc/55/15/01/985551501.db2.gz YAINQGKBZYCDBO-IRCOFANPSA-N 2 0 212.337 1.413 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+][C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC001578938016 985557436 /nfs/dbraw/zinc/55/74/36/985557436.db2.gz QPTOCBZQOABQAH-SYQHCUMBSA-N 2 0 238.375 1.818 20 0 BDADRP COC[C@@H](CC1CCOCC1)[NH2+][C@@H](C)CC[NH3+] ZINC001578961429 985587728 /nfs/dbraw/zinc/58/77/28/985587728.db2.gz XONDQZJEEIUKPA-WCQYABFASA-N 2 0 244.379 1.145 20 0 BDADRP COC[C@H](CC(C)C)[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC001578961169 985587752 /nfs/dbraw/zinc/58/77/52/985587752.db2.gz VFSXQLSQZRGJAL-DCAQKATOSA-N 2 0 200.326 1.127 20 0 BDADRP COCC[C@@H](C)C[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001578994980 985630039 /nfs/dbraw/zinc/63/00/39/985630039.db2.gz NBHLSWJLQVBBOH-ZYGVAYEYSA-N 2 0 212.337 1.128 20 0 BDADRP CSCC[C@H](C)[NH2+]CCSCC[NH3+] ZINC001258208167 985632350 /nfs/dbraw/zinc/63/23/50/985632350.db2.gz JQIULFOREHLXBX-VIFPVBQESA-N 2 0 222.423 1.410 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+][C@@H](C)CCSC ZINC001579001705 985652146 /nfs/dbraw/zinc/65/21/46/985652146.db2.gz LEAIPUXXFRBAFT-UWVGGRQHSA-N 2 0 220.382 1.081 20 0 BDADRP COCC[C@@H]([NH3+])C[NH2+][C@H](C)CC(C)(C)OC ZINC001579002860 985654363 /nfs/dbraw/zinc/65/43/63/985654363.db2.gz ULLSJYUMQUYQPN-GHMZBOCLSA-N 2 0 232.368 1.143 20 0 BDADRP COCC[C@@H]([NH3+])C[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC001579004197 985659293 /nfs/dbraw/zinc/65/92/93/985659293.db2.gz RPCAUNFFBTWQCA-GRYCIOLGSA-N 2 0 212.337 1.128 20 0 BDADRP COCC[C@@H]([NH3+])C[NH2+]C[C@H]1CCCC1(C)C ZINC001579003239 985664319 /nfs/dbraw/zinc/66/43/19/985664319.db2.gz CNVHEDWHGOGTRO-VXGBXAGGSA-N 2 0 228.380 1.766 20 0 BDADRP COCC[C@@H]([NH3+])C[NH2+]CCc1ccc(C)cc1 ZINC001579003690 985664340 /nfs/dbraw/zinc/66/43/40/985664340.db2.gz LHTDLEKIWDIJKR-CQSZACIVSA-N 2 0 236.359 1.491 20 0 BDADRP CO[C@@H]1CCCC[C@H]1[NH2+]C[C@]12C[C@H]1C[NH2+]C2 ZINC001579114751 985751426 /nfs/dbraw/zinc/75/14/26/985751426.db2.gz ZRKWDAZUVZESES-UMSGYPCISA-N 2 0 224.348 1.143 20 0 BDADRP CO[C@H]1C[C@H]2C[C@H]([NH2+][C@H]3C[C@@H]([NH3+])C3)C[C@H]2C1 ZINC001579127328 985805003 /nfs/dbraw/zinc/80/50/03/985805003.db2.gz LKRBISZYKAHRAC-LDTYRUFESA-N 2 0 224.348 1.269 20 0 BDADRP C[N@@H+]1CC[C@@]2(CCN(CC[NH+]3CCCC3)C2)C1 ZINC000795335582 985820450 /nfs/dbraw/zinc/82/04/50/985820450.db2.gz QJMKJQWYNKHWOI-CQSZACIVSA-N 2 0 237.391 1.110 20 0 BDADRP COc1cccc(C[C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])C2)n1 ZINC001579269376 985830208 /nfs/dbraw/zinc/83/02/08/985830208.db2.gz SQKIWFDHWVSKDM-JBLDHEPKSA-N 2 0 235.331 1.101 20 0 BDADRP COc1ncc(C[NH2+]C[C@H]2CC[C@@H]([NH3+])C2)s1 ZINC001579324554 985845508 /nfs/dbraw/zinc/84/55/08/985845508.db2.gz QTAKONJXDAEPSJ-DTWKUNHWSA-N 2 0 241.360 1.369 20 0 BDADRP C[S@](=O)[C@@H]1CC[C@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC001579356400 985857136 /nfs/dbraw/zinc/85/71/36/985857136.db2.gz WPNXPWUYVLVHEU-IPOYYUAYSA-N 2 0 244.404 1.146 20 0 BDADRP CSCCCCC[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001579371466 985863322 /nfs/dbraw/zinc/86/33/22/985863322.db2.gz JMLVXSGUCTZJGE-MOENNCHZSA-N 2 0 228.405 1.989 20 0 BDADRP C[C@@H]1CCN(C[C@H]2COC(C)(C)O2)[C@H](C[NH3+])C1 ZINC001579423308 985901286 /nfs/dbraw/zinc/90/12/86/985901286.db2.gz BKKRZTQEXDOMQW-WOPDTQHZSA-N 2 0 242.363 1.197 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCCOC1 ZINC001579454000 985938305 /nfs/dbraw/zinc/93/83/05/985938305.db2.gz RCTUKWHAQFWLHB-IJLUTSLNSA-N 2 0 212.337 1.001 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](CC(C)(C)O)C1CC1 ZINC001579454598 985941542 /nfs/dbraw/zinc/94/15/42/985941542.db2.gz NQIOYECXDKJBGU-MNOVXSKESA-N 2 0 226.364 1.077 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCSC1 ZINC001579453868 985942856 /nfs/dbraw/zinc/94/28/56/985942856.db2.gz OUSWVPIDNCCDML-GMTAPVOTSA-N 2 0 214.378 1.327 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC001579454658 985944896 /nfs/dbraw/zinc/94/48/96/985944896.db2.gz TVIOAQQXCCMHBY-RFGFWPKPSA-N 2 0 238.375 1.485 20 0 BDADRP CCOC(=O)CC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC001258488711 985952139 /nfs/dbraw/zinc/95/21/39/985952139.db2.gz XYGJNXHCZIBNTC-GARJFASQSA-N 2 0 228.336 1.188 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cnn2ccccc12 ZINC001579460696 985954882 /nfs/dbraw/zinc/95/48/82/985954882.db2.gz IKJPUBRKRINYCQ-NEPJUHHUSA-N 2 0 244.342 1.279 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc2nccn21 ZINC001579461005 985957526 /nfs/dbraw/zinc/95/75/26/985957526.db2.gz YKHIWUKZEVIZGA-NEPJUHHUSA-N 2 0 244.342 1.279 20 0 BDADRP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC001579470899 985972781 /nfs/dbraw/zinc/97/27/81/985972781.db2.gz MVUCAPJQUYTFQN-UJPOAAIJSA-N 2 0 208.349 1.620 20 0 BDADRP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]Cc1c(C[NH3+])cnn1C ZINC001579470793 985975408 /nfs/dbraw/zinc/97/54/08/985975408.db2.gz FRVDSWQGEMDMGJ-KXGXSXBTSA-N 2 0 234.347 1.013 20 0 BDADRP C[C@@]12CSC[C@@H]1C[N@H+](CC1(C[NH3+])CC1)C2 ZINC001579475717 985986451 /nfs/dbraw/zinc/98/64/51/985986451.db2.gz OCFXEFXYHLEHTG-WDEREUQCSA-N 2 0 226.389 1.410 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC001579480242 986001797 /nfs/dbraw/zinc/00/17/97/986001797.db2.gz WMSNRRSYGIOPAC-DVWMECQTSA-N 2 0 224.348 1.127 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@@H](C)C1CCOCC1 ZINC001327841368 986016821 /nfs/dbraw/zinc/01/68/21/986016821.db2.gz WEFFGDOOOZLESW-MNOVXSKESA-N 2 0 214.353 1.389 20 0 BDADRP Cc1ccc(C)c([C@H](C)[NH2+]C[C@](C)(O)C[NH3+])c1 ZINC001579671960 986175726 /nfs/dbraw/zinc/17/57/26/986175726.db2.gz UNJOBWFQYXIPHX-GXTWGEPZSA-N 2 0 236.359 1.664 20 0 BDADRP Cc1ccnc(C[NH2+]C2CC3(C[C@H]3[NH3+])C2)c1 ZINC001579811647 986221653 /nfs/dbraw/zinc/22/16/53/986221653.db2.gz PYIDLCIIDLYYQF-OTTFEQOBSA-N 2 0 217.316 1.359 20 0 BDADRP Cc1cccnc1CC[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001579807592 986221791 /nfs/dbraw/zinc/22/17/91/986221791.db2.gz GPMUFIBGMUDREG-QRMWWUJWSA-N 2 0 231.343 1.402 20 0 BDADRP Cc1ccccc1[C@@H](C)[N@H+](C)C[C@@H](O)CC[NH3+] ZINC001579806734 986223091 /nfs/dbraw/zinc/22/30/91/986223091.db2.gz JWLFLOXNMLAKGP-OLZOCXBDSA-N 2 0 236.359 1.698 20 0 BDADRP Cn1cc(C[NH2+]Cc2ccc(CC[NH3+])cc2)cn1 ZINC001579964857 986369028 /nfs/dbraw/zinc/36/90/28/986369028.db2.gz VPLLCGICJVHJNO-UHFFFAOYSA-N 2 0 244.342 1.211 20 0 BDADRP Cn1cc(C[NH2+]C[C@H]2CC[C@@H]([NH3+])C2)c(Cl)n1 ZINC001579964498 986370938 /nfs/dbraw/zinc/37/09/38/986370938.db2.gz NSDNXTVEYAUIPO-WCBMZHEXSA-N 2 0 242.754 1.291 20 0 BDADRP C[C@]1(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CC1(F)F ZINC000689185262 986380121 /nfs/dbraw/zinc/38/01/21/986380121.db2.gz KACWESYZZGVOKJ-LPEHRKFASA-N 2 0 230.302 1.891 20 0 BDADRP FCC1(C[NH2+]C[C@@H]2CCC[NH2+]C2)CCOCC1 ZINC001580026964 986422880 /nfs/dbraw/zinc/42/28/80/986422880.db2.gz JPDPGGOFLTYERD-GFCCVEGCSA-N 2 0 244.354 1.342 20 0 BDADRP COC1(C[NH2+]C[C@H]2C[NH+]3CCC2CC3)CCC1 ZINC001462632751 986462506 /nfs/dbraw/zinc/46/25/06/986462506.db2.gz FKMRJKPWTDGJDK-ZDUSSCGKSA-N 2 0 238.375 1.487 20 0 BDADRP C([NH2+]C[C@H]1C[NH+]2CCC1CC2)[C@H]1CCSC1 ZINC001462634075 986463521 /nfs/dbraw/zinc/46/35/21/986463521.db2.gz GWLIHICNOJGNPI-YPMHNXCESA-N 2 0 240.416 1.671 20 0 BDADRP CCn1cncc1C[NH2+]C[C@@H]1C[NH+]2CCC1CC2 ZINC001462634232 986469043 /nfs/dbraw/zinc/46/90/43/986469043.db2.gz INJBSYNZGNELIC-CYBMUJFWSA-N 2 0 248.374 1.334 20 0 BDADRP Cc1ncc(C[NH2+]C[C@H]2C[NH+]3CCC2CC3)n1C ZINC001462638694 986478421 /nfs/dbraw/zinc/47/84/21/986478421.db2.gz ZBXVWARSXKDDPV-ZDUSSCGKSA-N 2 0 248.374 1.160 20 0 BDADRP C[C@]1(C[NH+]2CCC(F)CC2)CCC[NH2+]C1 ZINC000689434337 986602301 /nfs/dbraw/zinc/60/23/01/986602301.db2.gz CCKILVZEBMXOSI-LBPRGKRZSA-N 2 0 214.328 1.810 20 0 BDADRP [NH3+][C@H]1CC12CC([NH2+]CC[C@@H]1CCCOC1)C2 ZINC001580163862 986636887 /nfs/dbraw/zinc/63/68/87/986636887.db2.gz FAHVSQZKXUXIGQ-QCXCNERSSA-N 2 0 224.348 1.273 20 0 BDADRP [NH3+]C1CC2(C1)CC([NH2+]Cc1cnn3c1CCC3)C2 ZINC001580165638 986637317 /nfs/dbraw/zinc/63/73/17/986637317.db2.gz JZQKAGDQWUEWTF-UHFFFAOYSA-N 2 0 246.358 1.189 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+]CCCc1ccco1)C2 ZINC001580164305 986637918 /nfs/dbraw/zinc/63/79/18/986637918.db2.gz GXUKRLRWRGXRLM-YXMLORGKSA-N 2 0 220.316 1.682 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+]CC(O)(C1CC1)C1CC1)C2 ZINC001580164275 986637921 /nfs/dbraw/zinc/63/79/21/986637921.db2.gz GTVRVEKTOPYMTB-OTTFEQOBSA-N 2 0 236.359 1.007 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+]Cc1cccc3c1OCC3)C2 ZINC001580165847 986644689 /nfs/dbraw/zinc/64/46/89/986644689.db2.gz MWUKXPMMQZWQFM-JVWICGRDSA-N 2 0 244.338 1.591 20 0 BDADRP C[C@@H]1CCC[N@@H+]([C@@H]2CCC[NH+](C)CC2)[C@H]1CO ZINC001254517083 986657584 /nfs/dbraw/zinc/65/75/84/986657584.db2.gz RYUDNEYOYNCOIN-MCIONIFRSA-N 2 0 240.391 1.564 20 0 BDADRP [NH3+]C[C@H]1CCCC[N@H+](Cc2ccoc2)C1 ZINC000379950479 986684597 /nfs/dbraw/zinc/68/45/97/986684597.db2.gz DZXYRAADYZSBSQ-LLVKDONJSA-N 2 0 208.305 1.840 20 0 BDADRP [NH3+]C[C@@]12C[N@H+](C[C@H](O)C3CC3)C[C@H]1CCCC2 ZINC001580256020 986708305 /nfs/dbraw/zinc/70/83/05/986708305.db2.gz PFMIULJBGMVPTH-RDBSUJKOSA-N 2 0 238.375 1.208 20 0 BDADRP [NH3+]CC1CC([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)C1 ZINC001580255432 986709184 /nfs/dbraw/zinc/70/91/84/986709184.db2.gz JYISMRSJEUECAK-GPCQJSLASA-N 2 0 222.254 1.512 20 0 BDADRP [NH3+]C[C@H]1CCCC12CC[NH+](Cc1cn[nH]n1)CC2 ZINC001580261202 986713703 /nfs/dbraw/zinc/71/37/03/986713703.db2.gz XOFBTOMOEBUUQZ-LLVKDONJSA-N 2 0 249.362 1.146 20 0 BDADRP [NH3+]CCC1CC[NH+](CCCCCCCO)CC1 ZINC001580288187 986731836 /nfs/dbraw/zinc/73/18/36/986731836.db2.gz FWASKBDFVJBMHU-UHFFFAOYSA-N 2 0 242.407 1.990 20 0 BDADRP [NH3+]CCCCCC[NH2+]C1(c2ncccn2)CCC1 ZINC001580293359 986735545 /nfs/dbraw/zinc/73/55/45/986735545.db2.gz UYOIZPAGEGSKMD-UHFFFAOYSA-N 2 0 248.374 1.965 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC001580421878 986837900 /nfs/dbraw/zinc/83/79/00/986837900.db2.gz TYBOKGCPORMSBF-PPCPHDFISA-N 2 0 236.359 1.271 20 0 BDADRP CC[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](CC)CC)C1 ZINC000384055689 986843293 /nfs/dbraw/zinc/84/32/93/986843293.db2.gz XIQQOIPWLIEJEG-KGLIPLIRSA-N 2 0 242.407 1.811 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc3nsnc32)C1 ZINC001580431714 986849766 /nfs/dbraw/zinc/84/97/66/986849766.db2.gz SJCWORBLDUYVRM-KYZUINATSA-N 2 0 234.328 1.271 20 0 BDADRP Nc1ccnc2c1C[N@H+](C[C@H]1CC[C@@H]([NH3+])C1)CC2 ZINC001580462093 986863156 /nfs/dbraw/zinc/86/31/56/986863156.db2.gz BCBGFMZUNGSSMF-WDEREUQCSA-N 2 0 246.358 1.149 20 0 BDADRP Nc1ncccc1C[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001580472673 986869282 /nfs/dbraw/zinc/86/92/82/986869282.db2.gz UQUGPKGXIGFOMV-LMKPVCQUSA-N 2 0 246.358 1.284 20 0 BDADRP C[N@@H+]1CC[C@@H](N2C[C@H](C[NH3+])c3ccccc32)C1 ZINC001255419593 986941666 /nfs/dbraw/zinc/94/16/66/986941666.db2.gz DFHPNADVDXCADO-NWDGAFQWSA-N 2 0 231.343 1.253 20 0 BDADRP [NH3+]Cc1cnccc1-c1ccc2c(n1)C[NH2+]CC2 ZINC001245559090 986950688 /nfs/dbraw/zinc/95/06/88/986950688.db2.gz YNHRZRXDMAKJEE-UHFFFAOYSA-N 2 0 240.310 1.248 20 0 BDADRP [NH3+]Cc1ccccc1-c1ccncc1C[NH3+] ZINC001245562592 986956735 /nfs/dbraw/zinc/95/67/35/986956735.db2.gz INXUAVXYCPFHTD-UHFFFAOYSA-N 2 0 213.284 1.666 20 0 BDADRP COC[C@H](C)[N@@H+]1CCCC[C@@H](CCC[NH3+])C1 ZINC001255566238 987021311 /nfs/dbraw/zinc/02/13/11/987021311.db2.gz DXHONKYZFFNOSE-STQMWFEESA-N 2 0 228.380 1.862 20 0 BDADRP CCCC[C@H](O)C[NH2+]C[C@H]1CCC[NH2+][C@H]1C ZINC001245975971 987242748 /nfs/dbraw/zinc/24/27/48/987242748.db2.gz AKSBCWVRDLMQTI-XQQFMLRXSA-N 2 0 228.380 1.515 20 0 BDADRP CCC[C@@H](O)C[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001245979184 987255947 /nfs/dbraw/zinc/25/59/47/987255947.db2.gz IODLVEDBHJWLQR-QWHCGFSZSA-N 2 0 240.391 1.659 20 0 BDADRP CCCC[C@H](O)C[NH2+]C[C@H]1C[NH2+]CC[C@@H]1C ZINC001245985580 987263125 /nfs/dbraw/zinc/26/31/25/987263125.db2.gz UQEXBTBFMLGAQV-XQQFMLRXSA-N 2 0 228.380 1.373 20 0 BDADRP CC(C)(C)[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC001245983317 987266564 /nfs/dbraw/zinc/26/65/64/987266564.db2.gz HVZGYUBUYOBFOW-MXWKQRLJSA-N 2 0 214.353 1.253 20 0 BDADRP CCCCOC[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC001245984019 987267053 /nfs/dbraw/zinc/26/70/53/987267053.db2.gz LQXATBLBJWZHDK-UPJWGTAASA-N 2 0 244.379 1.024 20 0 BDADRP CCCC[C@H](O)C[NH2+]C[C@H]1C[NH2+]C[C@H](C)C1 ZINC001245995087 987277884 /nfs/dbraw/zinc/27/78/84/987277884.db2.gz SOZSAEOJKVBVDF-UPJWGTAASA-N 2 0 228.380 1.373 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001245998065 987278035 /nfs/dbraw/zinc/27/80/35/987278035.db2.gz KOSKWHAYFHIRNQ-UPJWGTAASA-N 2 0 226.364 1.397 20 0 BDADRP CCCCC[C@H](O)CN1CC[C@@](C)([NH3+])C1 ZINC001246014857 987294938 /nfs/dbraw/zinc/29/49/38/987294938.db2.gz SIVMVVLSWMSRNR-NWDGAFQWSA-N 2 0 214.353 1.351 20 0 BDADRP CC(C)[C@H](O)C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246021741 987310925 /nfs/dbraw/zinc/31/09/25/987310925.db2.gz OYTNRZQRHOAPCG-NEPJUHHUSA-N 2 0 232.343 1.156 20 0 BDADRP CCC[C@H](O)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001246021621 987312497 /nfs/dbraw/zinc/31/24/97/987312497.db2.gz KYMGBVOZWBEJCS-AVGNSLFASA-N 2 0 228.380 1.454 20 0 BDADRP CC(C)[C@H](O)C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246022010 987314036 /nfs/dbraw/zinc/31/40/36/987314036.db2.gz ODGXZYLWNGPKAG-CHWSQXEVSA-N 2 0 228.380 1.454 20 0 BDADRP C[C@@H](Cc1ccccn1)[NH2+]CC1CC[NH+](C)CC1 ZINC000694027141 987318560 /nfs/dbraw/zinc/31/85/60/987318560.db2.gz CZHLKTZFQOXHGP-ZDUSSCGKSA-N 2 0 247.386 1.944 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)Cc1ccccn1 ZINC000694063591 987320608 /nfs/dbraw/zinc/32/06/08/987320608.db2.gz NYFRFBZWOSESEB-CHWSQXEVSA-N 2 0 235.375 1.942 20 0 BDADRP CC(C)(C)[C@H](O)C[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246025920 987321031 /nfs/dbraw/zinc/32/10/31/987321031.db2.gz YHIQSBVKTVPORE-DGCLKSJQSA-N 2 0 246.370 1.546 20 0 BDADRP CC(C)[C@H](O)C[N@@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001246031477 987331781 /nfs/dbraw/zinc/33/17/81/987331781.db2.gz QBHWLCCBOCGZGW-JHJVBQTASA-N 2 0 228.380 1.310 20 0 BDADRP COCC[N@H+](CCF)CCC1CC[NH2+]CC1 ZINC000697272520 987349949 /nfs/dbraw/zinc/34/99/49/987349949.db2.gz HSNSCJNVHSMOPA-UHFFFAOYSA-N 2 0 232.343 1.294 20 0 BDADRP CC1(C)C[N@H+](C[C@@H]2CCCC[NH2+]C2)CCCO1 ZINC000697090005 987350706 /nfs/dbraw/zinc/35/07/06/987350706.db2.gz WSSKPGOHEJNAHU-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP Fc1cccc(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)c1 ZINC001246071267 987355851 /nfs/dbraw/zinc/35/58/51/987355851.db2.gz KOFCOMXZZQHWNN-ZDUSSCGKSA-N 2 0 249.333 1.009 20 0 BDADRP CC[C@@H]1CC(NCC[NH2+]C)C[C@@H](CC)[NH2+]1 ZINC001246072100 987358719 /nfs/dbraw/zinc/35/87/19/987358719.db2.gz FDRAAKFVIKZBGE-GHMZBOCLSA-N 2 0 213.369 1.105 20 0 BDADRP [NH3+]C[C@H](NC1CC[NH2+]CC1)c1ccccc1 ZINC001246074321 987363294 /nfs/dbraw/zinc/36/32/94/987363294.db2.gz CSHKABWHUSWRPU-ZDUSSCGKSA-N 2 0 219.332 1.028 20 0 BDADRP C[C@H](CC[NH2+][C@@H]1CCCOCC1)[NH+](C)C ZINC000697888953 987365649 /nfs/dbraw/zinc/36/56/49/987365649.db2.gz JWDHPVPZROAJSC-VXGBXAGGSA-N 2 0 214.353 1.485 20 0 BDADRP COC(=O)CC[C@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC001246074542 987365569 /nfs/dbraw/zinc/36/55/69/987365569.db2.gz DPZDRFWREKZVSS-JTQLQIEISA-N 2 0 228.336 1.189 20 0 BDADRP C([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCO1 ZINC000699316224 987372945 /nfs/dbraw/zinc/37/29/45/987372945.db2.gz XVYBXPSWBPQMME-PSEXLTFBSA-N 2 0 224.348 1.286 20 0 BDADRP CC(C)[C@@H]1C[C@@H](NC2CC[NH2+]CC2)CC[NH2+]1 ZINC001246079487 987374257 /nfs/dbraw/zinc/37/42/57/987374257.db2.gz PVJKBOAFSRFKQC-STQMWFEESA-N 2 0 225.380 1.105 20 0 BDADRP COC(=O)[C@H]1CCC[C@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC001246081843 987376176 /nfs/dbraw/zinc/37/61/76/987376176.db2.gz UHGRROWWAMAVNE-JQWIXIFHSA-N 2 0 240.347 1.060 20 0 BDADRP O=C1C[C@H]2C[C@H]([NH2+]C3CC[NH2+]CC3)C[C@H]2C1 ZINC001246082036 987378612 /nfs/dbraw/zinc/37/86/12/987378612.db2.gz VQVPYWCOAFQHAI-IAZYJMLFSA-N 2 0 222.332 1.086 20 0 BDADRP C[C@H]1CC[C@H]([NH2+][C@H]2CCCOCC2)CN1 ZINC001246083793 987381457 /nfs/dbraw/zinc/38/14/57/987381457.db2.gz JZQWGZSWKVCCEK-SRVKXCTJSA-N 2 0 212.337 1.286 20 0 BDADRP CC[C@@H](CC(C)C)[NH2+]C[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001246086534 987385549 /nfs/dbraw/zinc/38/55/49/987385549.db2.gz DCZZSJLCJQSUHB-RWMBFGLXSA-N 2 0 246.370 1.463 20 0 BDADRP C[C@H]1CC[C@H](N[C@H]2CC[NH2+]C(C)(C)C2)C[NH2+]1 ZINC001246087664 987391184 /nfs/dbraw/zinc/39/11/84/987391184.db2.gz ZTWXLPKQUAWAMK-SRVKXCTJSA-N 2 0 225.380 1.247 20 0 BDADRP F[C@@H]1CC[C@@H](C[NH2+]C2CC[NH2+]CC2)C1 ZINC001246089637 987394760 /nfs/dbraw/zinc/39/47/60/987394760.db2.gz AJBUJIFQUMERBG-NXEZZACHSA-N 2 0 200.301 1.466 20 0 BDADRP C1C[C@H]2C[C@@H](N[C@H]3CCCC[NH2+]C3)C[C@@H]1[NH2+]2 ZINC001246090912 987396652 /nfs/dbraw/zinc/39/66/52/987396652.db2.gz MTBHUGAUFMMJGZ-QNWHQSFQSA-N 2 0 223.364 1.001 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+]C2CCOCC2)C[NH2+]1 ZINC001246092123 987397119 /nfs/dbraw/zinc/39/71/19/987397119.db2.gz HZUNJVGXYSKBIR-GHMZBOCLSA-N 2 0 212.337 1.143 20 0 BDADRP CCOC(=O)CC(C)(C)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC001246090783 987397131 /nfs/dbraw/zinc/39/71/31/987397131.db2.gz ZNLXQAMEMVBISM-GHMZBOCLSA-N 2 0 242.363 1.448 20 0 BDADRP C[C@@]1(C[NH2+][C@H]2CCCNC2)CCC[NH2+]CC1 ZINC001246093033 987402286 /nfs/dbraw/zinc/40/22/86/987402286.db2.gz GRCCZCBSMWTVKM-QWHCGFSZSA-N 2 0 225.380 1.108 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@H]2CCCOC2)C[NH2+]1 ZINC001246096883 987407742 /nfs/dbraw/zinc/40/77/42/987407742.db2.gz NGVXFUOHZUNREP-WOPDTQHZSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H]1CC[C@@H](CN[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C[NH2+]1 ZINC001246096926 987408579 /nfs/dbraw/zinc/40/85/79/987408579.db2.gz NQTLJYBKYBTLJR-POQQGIQPSA-N 2 0 237.391 1.247 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](C[NH2+]C2CCOCC2)C1 ZINC001246096704 987409813 /nfs/dbraw/zinc/40/98/13/987409813.db2.gz FRIRANIBEQHOEG-WDEREUQCSA-N 2 0 212.337 1.001 20 0 BDADRP CCSC[C@H](C)[NH2+]C[C@H]1C[NH2+]C[C@H](C)C1 ZINC001246097704 987410114 /nfs/dbraw/zinc/41/01/14/987410114.db2.gz IAXJUPPMZHEIGX-GRYCIOLGSA-N 2 0 230.421 1.963 20 0 BDADRP C[C@@H]1CC[C@H](CN[C@@H]2CC[C@H](C)[NH2+]C2)C[NH2+]1 ZINC001246099707 987416577 /nfs/dbraw/zinc/41/65/77/987416577.db2.gz RVBJOSLCSAHOJJ-MROQNXINSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+]C2C[C@@H]3C=C[C@H](C2)O3)C[NH2+]1 ZINC001246099431 987416716 /nfs/dbraw/zinc/41/67/16/987416716.db2.gz QZTUFPDVBLLDDN-YJBUHQLJSA-N 2 0 236.359 1.450 20 0 BDADRP C[C@@H]1C[C@H](NC[C@@]2(C)CCCC[NH2+]C2)C[NH2+]1 ZINC001246099804 987418868 /nfs/dbraw/zinc/41/88/68/987418868.db2.gz MUQDWKMLCDFMNS-AGIUHOORSA-N 2 0 225.380 1.106 20 0 BDADRP CC(C)(C)[C@@H]1C[C@H](N[C@@]2(C)CC[NH2+]C2)CC[NH2+]1 ZINC001246099662 987418933 /nfs/dbraw/zinc/41/89/33/987418933.db2.gz YEXZTLWIWREOSL-DYEKYZERSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@H]2CCCSC2)C[NH2+]1 ZINC001246101104 987422065 /nfs/dbraw/zinc/42/20/65/987422065.db2.gz VEBWYFVMXNENEF-WOPDTQHZSA-N 2 0 228.405 1.860 20 0 BDADRP CCOCC[C@H](C)[NH2+]C[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246100977 987422222 /nfs/dbraw/zinc/42/22/22/987422222.db2.gz USHNNUGLDRRXHK-FRRDWIJNSA-N 2 0 228.380 1.779 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCOC(C)(C)C2)C[NH2+]1 ZINC001246102132 987422933 /nfs/dbraw/zinc/42/29/33/987422933.db2.gz WNTKZQITPPAUCK-JHJVBQTASA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCCN(C)C2)C[NH2+]1 ZINC001246102654 987427306 /nfs/dbraw/zinc/42/73/06/987427306.db2.gz WRYXERSMBMIMBC-JHJVBQTASA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@H]2CCCOCC2)[NH2+]C1 ZINC001246104106 987429081 /nfs/dbraw/zinc/42/90/81/987429081.db2.gz JHYMXCWWMMDJIS-FRRDWIJNSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1CN[C@H]1CCC[NH2+]CC1 ZINC001246104959 987433470 /nfs/dbraw/zinc/43/34/70/987433470.db2.gz AGYOFFQQOXFSPJ-XQQFMLRXSA-N 2 0 225.380 1.106 20 0 BDADRP C[C@@H]1CC[C@@H](CN[C@H]2CC[NH2+]C(C)(C)C2)[NH2+]C1 ZINC001246104991 987433754 /nfs/dbraw/zinc/43/37/54/987433754.db2.gz LFIIUKYYTYFBSZ-AGIUHOORSA-N 2 0 239.407 1.495 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+][C@@H]2C)CCO1 ZINC001246105710 987434824 /nfs/dbraw/zinc/43/48/24/987434824.db2.gz CFZPLKIIQONHBH-AAVRWANBSA-N 2 0 240.391 1.922 20 0 BDADRP C[NH2+]C1CCC([NH2+]C[C@@H]2CC[C@@H](C)C[NH2+]2)CC1 ZINC001246107429 987438498 /nfs/dbraw/zinc/43/84/98/987438498.db2.gz GTJZIVFDLIOTOP-RYSNWHEDSA-N 3 0 239.407 1.495 20 0 BDADRP C[C@H]1CC[NH2+]C[C@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246108040 987439313 /nfs/dbraw/zinc/43/93/13/987439313.db2.gz BVLBOLLZIJCMSK-CSHRUCKSSA-N 2 0 237.391 1.105 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](C)C[NH2+]2)CCO1 ZINC001246108798 987440556 /nfs/dbraw/zinc/44/05/56/987440556.db2.gz WPEFNHMVOXQNSO-REWJHTLYSA-N 2 0 240.391 1.922 20 0 BDADRP C[NH2+]CC[C@H](C)NC[C@]1(F)CCCC[NH2+]C1 ZINC001246110531 987445528 /nfs/dbraw/zinc/44/55/28/987445528.db2.gz IMDNOXBKXQOREY-RYUDHWBXSA-N 2 0 231.359 1.056 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+][C@@H]1CCSC1 ZINC001246113868 987450975 /nfs/dbraw/zinc/45/09/75/987450975.db2.gz ULUDGPMYJUDADM-HBNTYKKESA-N 2 0 214.378 1.470 20 0 BDADRP C[C@@H]1C[C@H](NC[C@@]2(F)CCCC[NH2+]C2)CC[NH2+]1 ZINC001246114545 987454767 /nfs/dbraw/zinc/45/47/67/987454767.db2.gz PXNWIOSHPIESOY-JHJVBQTASA-N 2 0 243.370 1.198 20 0 BDADRP CC[C@@H]1C[C@@H](N[C@@H]2CC[NH2+]C2)C[C@H](CC)[NH2+]1 ZINC001246115927 987454930 /nfs/dbraw/zinc/45/49/30/987454930.db2.gz KTYFULUQXHWDBW-YVECIDJPSA-N 2 0 225.380 1.247 20 0 BDADRP C[C@@H]1CC[C@H](CN[C@@H]2CC[C@H](C)[NH2+]C2)[NH2+]C1 ZINC001246116034 987456591 /nfs/dbraw/zinc/45/65/91/987456591.db2.gz UPOHISRRRCOPMA-YVECIDJPSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+][C@@H]1COC(C)(C)C1 ZINC001246115285 987456737 /nfs/dbraw/zinc/45/67/37/987456737.db2.gz YKKMTKGSUYJFAZ-TUAOUCFPSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1C[NH2+][C@H]1CCO[C@@H](C)C1 ZINC001246118660 987463836 /nfs/dbraw/zinc/46/38/36/987463836.db2.gz HVCNSPWYBJPERW-VOAKCMCISA-N 2 0 226.364 1.389 20 0 BDADRP C[C@H](Cc1cccnc1)N[C@H]1CCC[NH2+]C1 ZINC001246121963 987466812 /nfs/dbraw/zinc/46/68/12/987466812.db2.gz CXSJUMSKGOSSNJ-YPMHNXCESA-N 2 0 219.332 1.354 20 0 BDADRP CC[NH+]1CCC(NC[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC001246121848 987467250 /nfs/dbraw/zinc/46/72/50/987467250.db2.gz UKEJWJYXVMZHGQ-STQMWFEESA-N 2 0 239.407 1.306 20 0 BDADRP C[C@H]1CC[C@@H](NC[C@]23CCC[C@H]2C[NH2+]C3)C[NH2+]1 ZINC001246124544 987471311 /nfs/dbraw/zinc/47/13/11/987471311.db2.gz BLXSVGHDUKJSNT-IGQOVBAYSA-N 2 0 237.391 1.106 20 0 BDADRP C[C@@H]1CC[C@H](N(CC[NH3+])Cc2ccccc2)C[NH2+]1 ZINC001246126730 987471326 /nfs/dbraw/zinc/47/13/26/987471326.db2.gz IRTPQUJEJLMIFR-HIFRSBDPSA-N 2 0 247.386 1.588 20 0 BDADRP CC[C@@H]1CC(N[C@@H]2C[NH2+]C[C@H]2F)C[C@@H](CC)[NH2+]1 ZINC001246127437 987471935 /nfs/dbraw/zinc/47/19/35/987471935.db2.gz KTIOWIOBGXWNAG-FPQZTECRSA-N 2 0 243.370 1.195 20 0 BDADRP CC[C@@H]1C[C@H](N[C@]23C[C@H]2C[NH2+]C3)C[C@H](CC)[NH2+]1 ZINC001246133498 987490760 /nfs/dbraw/zinc/49/07/60/987490760.db2.gz JRNIQOPLAHACOY-QNSTZXKLSA-N 2 0 237.391 1.247 20 0 BDADRP CCC(CC)[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001246139380 987497188 /nfs/dbraw/zinc/49/71/88/987497188.db2.gz CVQONCOSZCGVRH-ZDUSSCGKSA-N 2 0 239.407 1.639 20 0 BDADRP C1[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C12CC[NH2+]CC2 ZINC001246139895 987498877 /nfs/dbraw/zinc/49/88/77/987498877.db2.gz XMXWLVZIVQCIIF-ZGVCCVRISA-N 3 0 235.375 1.001 20 0 BDADRP CC[C@H](C[C@@H](C)CC)[NH2+][C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001246150853 987506763 /nfs/dbraw/zinc/50/67/63/987506763.db2.gz XOROEVNUHAOOGU-MQLXINIDSA-N 2 0 240.391 1.778 20 0 BDADRP CC[C@@H](C)[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001246148504 987508395 /nfs/dbraw/zinc/50/83/95/987508395.db2.gz SPWYDIBGJREMBL-NEPJUHHUSA-N 2 0 225.380 1.249 20 0 BDADRP CCCCC[C@@H](CC)[NH2+][C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001246150235 987508956 /nfs/dbraw/zinc/50/89/56/987508956.db2.gz VTBJIPGYTQQLDZ-YIYPIFLZSA-N 2 0 240.391 1.922 20 0 BDADRP CCC[NH+](CCC)CCN[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246161363 987524118 /nfs/dbraw/zinc/52/41/18/987524118.db2.gz KHJCFLFWWIIXCR-KGLIPLIRSA-N 2 0 241.423 1.839 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C23CCC([NH3+])(CC2)CC3)CC[NH2+]1 ZINC001246163643 987525873 /nfs/dbraw/zinc/52/58/73/987525873.db2.gz OLQBFAWRNCERRF-KBHBFKLGSA-N 3 0 237.391 1.521 20 0 BDADRP CC[NH+](CC)CCCC[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC001246163125 987526781 /nfs/dbraw/zinc/52/67/81/987526781.db2.gz VUWYXLUYXKXZEB-KBPBESRZSA-N 3 0 241.423 1.839 20 0 BDADRP CCCC[N@H+](CC)CCN[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246162772 987527629 /nfs/dbraw/zinc/52/76/29/987527629.db2.gz SDJOZPSNNAYUQE-ZIAGYGMSSA-N 2 0 241.423 1.839 20 0 BDADRP C[C@H]1CC[C@@H](NCC[NH2+]Cc2ccccc2)C[NH2+]1 ZINC001246165130 987528247 /nfs/dbraw/zinc/52/82/47/987528247.db2.gz GMOGLXORJCYICP-DZGCQCFKSA-N 2 0 247.386 1.506 20 0 BDADRP [NH3+]C12CCC([NH2+][C@@H]3CCCNC3)(CC1)CC2 ZINC001246163614 987528700 /nfs/dbraw/zinc/52/87/00/987528700.db2.gz NQKJFFQWSVRYRI-PNESKVBLSA-N 2 0 223.364 1.132 20 0 BDADRP [NH3+]Cc1c(F)cccc1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246173716 987540120 /nfs/dbraw/zinc/54/01/20/987540120.db2.gz VGVIYMCGDZWFFQ-ZACCUICWSA-N 2 0 249.333 1.979 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)CC[NH2+]1 ZINC001246176274 987544560 /nfs/dbraw/zinc/54/45/60/987544560.db2.gz OBNXBXRUVVZXIT-RDBSUJKOSA-N 3 0 239.407 1.448 20 0 BDADRP C[C@H]1C[C@H](Nc2cccc(C[NH3+])c2)CC[NH2+]1 ZINC001246179152 987548868 /nfs/dbraw/zinc/54/88/68/987548868.db2.gz OKDHVCZQTHMVIE-GXFFZTMASA-N 2 0 219.332 1.698 20 0 BDADRP [NH2+]=C(N[C@H]1CCC[NH2+]C1)c1ccc(Cl)nc1 ZINC001246177653 987550706 /nfs/dbraw/zinc/55/07/06/987550706.db2.gz VGBOKBVCGCMANT-VIFPVBQESA-N 2 0 238.722 1.402 20 0 BDADRP [NH2+]=C(N[C@@H]1CCC[NH2+]C1)c1cc(F)cc(F)c1 ZINC001246181987 987552347 /nfs/dbraw/zinc/55/23/47/987552347.db2.gz OGUWFOXLMPWEEV-LLVKDONJSA-N 2 0 239.269 1.632 20 0 BDADRP CC[C@H](C)OCC[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC001246187238 987565540 /nfs/dbraw/zinc/56/55/40/987565540.db2.gz NEORBKOOTPYSIX-FRRDWIJNSA-N 2 0 228.380 1.922 20 0 BDADRP CC(C)[C@H](O)CC[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001473843878 987575838 /nfs/dbraw/zinc/57/58/38/987575838.db2.gz OGFFPACOXPYTHE-MCIONIFRSA-N 2 0 240.391 1.277 20 0 BDADRP CC(C)[NH+]1CCC(C[NH2+]C2CC[NH2+]CC2)CC1 ZINC001246193158 987584897 /nfs/dbraw/zinc/58/48/97/987584897.db2.gz UOCMHFGPKORIGV-UHFFFAOYSA-N 3 0 239.407 1.448 20 0 BDADRP C([NH2+]C1CCC2(CC[NH2+]C2)CC1)[C@@H]1CCC[NH2+]1 ZINC001246194639 987585112 /nfs/dbraw/zinc/58/51/12/987585112.db2.gz OBKZHPSWECTIFM-MOKVOYLWSA-N 3 0 237.391 1.250 20 0 BDADRP C([NH2+]C1CCC2(COC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC001246195952 987592561 /nfs/dbraw/zinc/59/25/61/987592561.db2.gz CRHKLTMROQNPEI-GFCCVEGCSA-N 2 0 238.375 1.535 20 0 BDADRP Cc1nc(N)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246200497 987593433 /nfs/dbraw/zinc/59/34/33/987593433.db2.gz QICHOSPOJYHNJV-FUNVUKJBSA-N 2 0 246.358 1.345 20 0 BDADRP C[C@@H](Cc1ccccn1)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC001246200656 987593897 /nfs/dbraw/zinc/59/38/97/987593897.db2.gz ALBXDCPCBDYGIJ-OUCADQQQSA-N 2 0 233.359 1.872 20 0 BDADRP Cc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)n1C ZINC001246199361 987594501 /nfs/dbraw/zinc/59/45/01/987594501.db2.gz VULJQFCRZHULTI-JQWIXIFHSA-N 2 0 221.348 1.564 20 0 BDADRP CCOC(=O)CC[C@@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC001246204594 987600219 /nfs/dbraw/zinc/60/02/19/987600219.db2.gz HUGDJRZSIQVFJH-IJLUTSLNSA-N 2 0 242.363 1.578 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C2(CO)CCCC2)CC[NH2+]1 ZINC001246206095 987601852 /nfs/dbraw/zinc/60/18/52/987601852.db2.gz XKWPIUBTJABGPX-MNOVXSKESA-N 2 0 212.337 1.022 20 0 BDADRP CC[C@@H]1C[C@@H](N[C@@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246206173 987604332 /nfs/dbraw/zinc/60/43/32/987604332.db2.gz XXFJKOCBXUDCGJ-LPWJVIDDSA-N 3 0 225.380 1.377 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CC2(C)CC[NH2+]CC2)CN1 ZINC001246210673 987607096 /nfs/dbraw/zinc/60/70/96/987607096.db2.gz JMCDRYJEJJIFMD-NEPJUHHUSA-N 2 0 225.380 1.106 20 0 BDADRP C[C@H]1CC[C@H]([NH2+]CC2(C)CC[NH2+]CC2)CN1 ZINC001246210679 987607124 /nfs/dbraw/zinc/60/71/24/987607124.db2.gz JMCDRYJEJJIFMD-RYUDHWBXSA-N 2 0 225.380 1.106 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H](F)C2)CC[NH2+]1 ZINC001246214541 987609205 /nfs/dbraw/zinc/60/92/05/987609205.db2.gz IYRNZLDJNGYRBY-GWOFURMSSA-N 2 0 200.301 1.465 20 0 BDADRP C[C@@H](CC1CC1)[NH2+]C1CN(C2CC[NH2+]CC2)C1 ZINC001246212497 987609940 /nfs/dbraw/zinc/60/99/40/987609940.db2.gz AOSKWKMEBLEEQM-NSHDSACASA-N 2 0 237.391 1.201 20 0 BDADRP C([NH2+][C@@H]1CCCC[NH2+]C1)[C@@H]1CCC[NH2+]CC1 ZINC001246225277 987621775 /nfs/dbraw/zinc/62/17/75/987621775.db2.gz OTWCAGVVBCLXMQ-CHWSQXEVSA-N 3 0 225.380 1.108 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C[NH3+])CC2)CC[NH2+]1 ZINC001246224042 987622404 /nfs/dbraw/zinc/62/24/04/987622404.db2.gz MTDILRVQCFDAGN-FVCCEPFGSA-N 3 0 225.380 1.234 20 0 BDADRP C[C@@H](N[C@H]1CC[NH2+][C@H](C)C1)c1cncnc1 ZINC001246228529 987626665 /nfs/dbraw/zinc/62/66/65/987626665.db2.gz ILWGIRLOCAQODY-FOGDFJRCSA-N 2 0 220.320 1.268 20 0 BDADRP CCCCC[C@H](C)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246236362 987634847 /nfs/dbraw/zinc/63/48/47/987634847.db2.gz WNAIGBRYKVUKIV-STQMWFEESA-N 2 0 239.407 1.639 20 0 BDADRP C[C@H](Cc1cnccn1)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC001246237420 987635997 /nfs/dbraw/zinc/63/59/97/987635997.db2.gz OBGJRXFAVAZWLN-UTUOFQBUSA-N 2 0 234.347 1.138 20 0 BDADRP [NH3+][C@H]1CCc2nn(C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2C1 ZINC001246240370 987642225 /nfs/dbraw/zinc/64/22/25/987642225.db2.gz WGNCDCVWYLCUID-ACJTYDJDSA-N 2 0 246.358 1.155 20 0 BDADRP CCC1CCC(N[C@H]2C[NH2+]C[C@@H]2OC)CC1 ZINC001246241273 987643506 /nfs/dbraw/zinc/64/35/06/987643506.db2.gz WAALFVHICPSFCM-TYUFSLCMSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H](O)C2)CC[NH2+]1 ZINC001246249864 987647875 /nfs/dbraw/zinc/64/78/75/987647875.db2.gz RNXMAAPKBCVGHC-NOOOWODRSA-N 2 0 212.337 1.020 20 0 BDADRP C[C@H]([NH3+])c1ccn([C@@H]2CC[NH2+][C@H](C)C2)n1 ZINC001246249338 987648081 /nfs/dbraw/zinc/64/80/81/987648081.db2.gz OKWJOQQFGZOXOP-KXUCPTDWSA-N 2 0 208.309 1.216 20 0 BDADRP CCOC(=O)CCCCC[NH2+]C1CC[NH2+]CC1 ZINC001246246970 987649668 /nfs/dbraw/zinc/64/96/68/987649668.db2.gz VDUJITYEKRIAHI-UHFFFAOYSA-N 2 0 242.363 1.452 20 0 BDADRP c1ncc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC001246263458 987658845 /nfs/dbraw/zinc/65/88/45/987658845.db2.gz AWHPWCOEEDGUOD-ZACCUICWSA-N 2 0 237.372 1.558 20 0 BDADRP [NH3+]Cc1ccc2c(n1)N([C@H]1CCC[NH2+]C1)CCC2 ZINC001246266134 987662338 /nfs/dbraw/zinc/66/23/38/987662338.db2.gz WEAMTJSJOODWOM-ZDUSSCGKSA-N 2 0 246.358 1.045 20 0 BDADRP CCCC[C@@H]1C[C@H](NCC[NH2+]CCC)CC[NH2+]1 ZINC001246271219 987666778 /nfs/dbraw/zinc/66/67/78/987666778.db2.gz QSKVZWWRHRRSPB-ZIAGYGMSSA-N 2 0 241.423 1.886 20 0 BDADRP COc1ccc(CC[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)nc1 ZINC001246274671 987670918 /nfs/dbraw/zinc/67/09/18/987670918.db2.gz ZPYOSCSOJXVKAZ-WCQYABFASA-N 2 0 249.358 1.363 20 0 BDADRP CCNCC[NH2+][C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246274649 987670977 /nfs/dbraw/zinc/67/09/77/987670977.db2.gz YUMVPKSWZIBOFI-STQMWFEESA-N 2 0 225.380 1.108 20 0 BDADRP c1ccc2c(c1)C[NH2+][C@@H](CN[C@H]1CCC[NH2+]C1)C2 ZINC001246277400 987672570 /nfs/dbraw/zinc/67/25/70/987672570.db2.gz IXJKOOAXLKVUJN-LSDHHAIUSA-N 2 0 245.370 1.043 20 0 BDADRP CCCC[C@H]1C[C@@H](N[C@H]2CC[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246278655 987673705 /nfs/dbraw/zinc/67/37/05/987673705.db2.gz LFLJSVXCGUNDHM-XUXIUFHCSA-N 2 0 239.407 1.767 20 0 BDADRP CC[C@@H]1C[C@@H](NCC2([NH3+])CCCCC2)CC[NH2+]1 ZINC001246280380 987675392 /nfs/dbraw/zinc/67/53/92/987675392.db2.gz UIMHHXOTGFQSDG-OLZOCXBDSA-N 2 0 239.407 1.768 20 0 BDADRP CC(C)C[C@H](C)C[C@H](C)[NH2+]CCN(C)CC[NH3+] ZINC001246284735 987677473 /nfs/dbraw/zinc/67/74/73/987677473.db2.gz OFNJKGBJSRXEIB-KBPBESRZSA-N 2 0 243.439 1.927 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CCCC3)[C@@H]2C1 ZINC001474301166 987683402 /nfs/dbraw/zinc/68/34/02/987683402.db2.gz GKZRGZZBTOPVPV-CYZMBNFOSA-N 2 0 208.349 1.859 20 0 BDADRP COC(=O)CCCC[C@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC001246298850 987692695 /nfs/dbraw/zinc/69/26/95/987692695.db2.gz CORRTDADBRNTFZ-QWRGUYRKSA-N 2 0 230.352 1.435 20 0 BDADRP CCCC[C@@H]1C[C@H](N[C@@H](C)CC[NH3+])CC[NH2+]1 ZINC001246299984 987694749 /nfs/dbraw/zinc/69/47/49/987694749.db2.gz LBSKUPMYKLZLHF-YNEHKIRRSA-N 2 0 227.396 1.624 20 0 BDADRP C[NH2+]CC[C@@H](C)NC[C@@H]([NH3+])Cc1ccccc1 ZINC001246298743 987695109 /nfs/dbraw/zinc/69/51/09/987695109.db2.gz DXFLUMICZZZYPU-OCCSQVGLSA-N 2 0 235.375 1.144 20 0 BDADRP CC[C@@H]1CC(N[C@H]2CCC[C@H]2[NH3+])C[C@@H](CC)[NH2+]1 ZINC001246305278 987706116 /nfs/dbraw/zinc/70/61/16/987706116.db2.gz MQIIKAYRXCSHRA-OXHZDVMGSA-N 2 0 239.407 1.765 20 0 BDADRP C[C@H]([NH3+])CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001246307344 987707053 /nfs/dbraw/zinc/70/70/53/987707053.db2.gz WXNQTIBISBIXAH-LBPRGKRZSA-N 3 0 248.374 1.377 20 0 BDADRP C[C@H]1CC[C@H](NC[C@@H]([NH3+])Cc2ccccc2)C[NH2+]1 ZINC001246307805 987707703 /nfs/dbraw/zinc/70/77/03/987707703.db2.gz NHAPEJHMSJEZEU-QEJZJMRPSA-N 2 0 247.386 1.287 20 0 BDADRP CC[C@H](C)OCC[C@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC001246307605 987708675 /nfs/dbraw/zinc/70/86/75/987708675.db2.gz ZEGOTGQZXCFGGU-SRVKXCTJSA-N 2 0 216.369 1.907 20 0 BDADRP C[C@H]([NH3+])CCN[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246307639 987709285 /nfs/dbraw/zinc/70/92/85/987709285.db2.gz ZWXGISGYLMFYJB-QWHCGFSZSA-N 2 0 239.407 1.768 20 0 BDADRP CC[C@H]([NH3+])C[NH2+]C1CCC([NH+](CC)CC)CC1 ZINC001246311491 987710589 /nfs/dbraw/zinc/71/05/89/987710589.db2.gz DTJPHXDCEITVNJ-HSBZDZAISA-N 3 0 241.423 1.966 20 0 BDADRP CCCCOC(=O)CC[C@@H](C)[NH2+]C[C@H]([NH3+])CC ZINC001246311440 987711223 /nfs/dbraw/zinc/71/12/23/987711223.db2.gz CPRQAROPGZUPTN-VXGBXAGGSA-N 2 0 244.379 1.825 20 0 BDADRP CCCC[C@@H]1C[C@@H](NC[C@H]([NH3+])CC)CC[NH2+]1 ZINC001246312068 987713085 /nfs/dbraw/zinc/71/30/85/987713085.db2.gz FKEUQDPEUXQHOB-UPJWGTAASA-N 2 0 227.396 1.624 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001246316187 987715069 /nfs/dbraw/zinc/71/50/69/987715069.db2.gz YILGQMBGDFZAHZ-VLEAKVRGSA-N 2 0 200.326 1.269 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@H]1Cc2ccc(OC)cc2C1 ZINC001246312689 987716415 /nfs/dbraw/zinc/71/64/15/987716415.db2.gz GYGTZZAIGQNBNU-OLZOCXBDSA-N 2 0 234.343 1.489 20 0 BDADRP CO[C@@H](C)C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001474443042 987722734 /nfs/dbraw/zinc/72/27/34/987722734.db2.gz PHZZSILHCOUQBT-QWHCGFSZSA-N 2 0 244.379 1.112 20 0 BDADRP CC[C@@H]([NH3+])CN[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001246319281 987725993 /nfs/dbraw/zinc/72/59/93/987725993.db2.gz UTKRTARNYLENGW-HUUCEWRRSA-N 2 0 247.386 1.588 20 0 BDADRP CC1(C)C[C@H](N[C@H]2C[NH2+]CCC2(C)C)CC[NH2+]1 ZINC001246325219 987731173 /nfs/dbraw/zinc/73/11/73/987731173.db2.gz ITFNFWNBZJNEFQ-NEPJUHHUSA-N 2 0 239.407 1.495 20 0 BDADRP [NH3+]Cc1ccc2cn(C3CC[NH2+]CC3)nc2c1 ZINC001246326957 987732821 /nfs/dbraw/zinc/73/28/21/987732821.db2.gz XRJWYAVNCDHSSD-UHFFFAOYSA-N 2 0 230.315 1.420 20 0 BDADRP C[C@@H]1C[C@@H](Nc2cccnc2C[NH3+])CC[NH2+]1 ZINC001246328522 987735615 /nfs/dbraw/zinc/73/56/15/987735615.db2.gz YQZHLRFOKZSCBV-ZJUUUORDSA-N 2 0 220.320 1.093 20 0 BDADRP C[C@H](COc1ccccc1)[NH2+]C1CC[NH2+]CC1 ZINC001246330857 987737658 /nfs/dbraw/zinc/73/76/58/987737658.db2.gz YUWFPHKJPBECLK-GFCCVEGCSA-N 2 0 234.343 1.796 20 0 BDADRP CC[C@H]1C[C@H](N[C@@H]2CCC[NH2+][C@@H]2C)CC[NH2+]1 ZINC001246332066 987737948 /nfs/dbraw/zinc/73/79/48/987737948.db2.gz PIPHHBQFWNDUEK-YVECIDJPSA-N 2 0 225.380 1.247 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246330745 987738200 /nfs/dbraw/zinc/73/82/00/987738200.db2.gz GBNHEDJAKGVLLE-XQQFMLRXSA-N 2 0 227.396 1.336 20 0 BDADRP CC[C@@H]1C[C@@H](N[C@@H]2CCC[NH2+][C@@H]2C)CC[NH2+]1 ZINC001246332060 987739421 /nfs/dbraw/zinc/73/94/21/987739421.db2.gz PIPHHBQFWNDUEK-FVCCEPFGSA-N 2 0 225.380 1.247 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H]3COC[C@H]23)C1 ZINC001474499100 987741524 /nfs/dbraw/zinc/74/15/24/987741524.db2.gz KADGTLSJHGEVLN-YIYPIFLZSA-N 2 0 238.375 1.341 20 0 BDADRP CCCC[C@@H]1C[C@@H](NC[C@@H]([NH3+])C(C)C)CC[NH2+]1 ZINC001246333033 987741590 /nfs/dbraw/zinc/74/15/90/987741590.db2.gz PVNJNHFHHIOUBF-HZSPNIEDSA-N 2 0 241.423 1.870 20 0 BDADRP C[C@@H]1CC[C@@H](N[C@@H]2C[NH2+]CCC2(C)C)C[NH2+]1 ZINC001246334022 987742698 /nfs/dbraw/zinc/74/26/98/987742698.db2.gz WTEUTYYPAHUHKC-IJLUTSLNSA-N 2 0 225.380 1.105 20 0 BDADRP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246334623 987743070 /nfs/dbraw/zinc/74/30/70/987743070.db2.gz VQCXZEAGDWMZSA-BFHYXJOUSA-N 3 0 239.407 1.482 20 0 BDADRP C1[C@@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C12CCCC2 ZINC001246334712 987743263 /nfs/dbraw/zinc/74/32/63/987743263.db2.gz PIJZAPYXRVTXHI-VXGBXAGGSA-N 2 0 235.375 1.003 20 0 BDADRP C[C@@H](C[NH2+][C@@H]1CCCNC1)CC(C)(C)CC[NH3+] ZINC001246339196 987747720 /nfs/dbraw/zinc/74/77/20/987747720.db2.gz OWIYIPMNNSUCGQ-CHWSQXEVSA-N 3 0 241.423 1.729 20 0 BDADRP [NH3+][C@@]12CC[C@@]([NH2+][C@@H]3C[C@H]4C[NH2+]C[C@H]4C3)(C1)CCC2 ZINC001246343384 987753665 /nfs/dbraw/zinc/75/36/65/987753665.db2.gz XEKTXQJKFFEQFE-VYDRJRHOSA-N 3 0 249.402 1.378 20 0 BDADRP CC(C)OC(=O)CC[C@H](C)N[C@@H]1CCC[NH2+]C1 ZINC001246357743 987764770 /nfs/dbraw/zinc/76/47/70/987764770.db2.gz LJXACALGKQBANK-NWDGAFQWSA-N 2 0 242.363 1.448 20 0 BDADRP CN1CCC[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C1 ZINC001474570883 987765084 /nfs/dbraw/zinc/76/50/84/987765084.db2.gz AVNCKIKUOWQGOE-ZDUSSCGKSA-N 2 0 244.342 1.518 20 0 BDADRP OCCc1cccc(C[NH2+]C2CC[NH2+]CC2)c1 ZINC001246355870 987765397 /nfs/dbraw/zinc/76/53/97/987765397.db2.gz LJDBNRQKGRZLRG-UHFFFAOYSA-N 2 0 234.343 1.063 20 0 BDADRP C[C@@H](Cc1cccc(O)c1)[NH2+][C@@H]1CCCNC1 ZINC001246355682 987765711 /nfs/dbraw/zinc/76/57/11/987765711.db2.gz ZJVYEJVPRSTPCN-WCQYABFASA-N 2 0 234.343 1.665 20 0 BDADRP C[C@@H]1CC[C@H](N[C@H]2CC[N@H+](CC3CC3)C2)C[NH2+]1 ZINC001246361166 987766658 /nfs/dbraw/zinc/76/66/58/987766658.db2.gz KBICCCLAOZNTQY-XBFCOCLRSA-N 2 0 237.391 1.201 20 0 BDADRP C(C1CCC1)[N@@H+]1CC[C@H](N[C@@H]2CCC[NH2+]C2)C1 ZINC001246359174 987768591 /nfs/dbraw/zinc/76/85/91/987768591.db2.gz FLDSGRWGYHUWKX-KGLIPLIRSA-N 2 0 237.391 1.202 20 0 BDADRP CC(C)=CCC[C@H](C)[NH2+]CCNCC[NH3+] ZINC001246406183 987787446 /nfs/dbraw/zinc/78/74/46/987787446.db2.gz RPGRIOJYVXSHTP-LBPRGKRZSA-N 2 0 213.369 1.259 20 0 BDADRP CCCCC(CCCC)[NH2+]CCNCC[NH3+] ZINC001246406805 987788343 /nfs/dbraw/zinc/78/83/43/987788343.db2.gz UXGUCHJZERMTST-UHFFFAOYSA-N 2 0 229.412 1.873 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCNCC[NH3+])CC(C)(C)C1 ZINC001246403672 987786551 /nfs/dbraw/zinc/78/65/51/987786551.db2.gz GZEHGDOGNKXRMW-NEPJUHHUSA-N 2 0 227.396 1.339 20 0 BDADRP CCC[C@@H](C)CC[C@H](C)[NH2+]CCNCC[NH3+] ZINC001246406282 987788054 /nfs/dbraw/zinc/78/80/54/987788054.db2.gz SVDFOINELWDZNR-OLZOCXBDSA-N 2 0 229.412 1.729 20 0 BDADRP CC(C)C[NH+]1CCC(N[C@H]2CC23C[NH2+]C3)CC1 ZINC001246443468 987793602 /nfs/dbraw/zinc/79/36/02/987793602.db2.gz HDVZBAVEPXQEOI-ZDUSSCGKSA-N 2 0 237.391 1.058 20 0 BDADRP CCC1(C[NH2+][C@H]2CC[C@@H](C)NC2)CC[NH2+]CC1 ZINC001246425824 987796185 /nfs/dbraw/zinc/79/61/85/987796185.db2.gz ZOWOIKVCADQGEP-OLZOCXBDSA-N 2 0 239.407 1.496 20 0 BDADRP CSC(C)(C)C[C@H](C)[NH2+][C@@H]1CC12C[NH2+]C2 ZINC001246444814 987801922 /nfs/dbraw/zinc/80/19/22/987801922.db2.gz LTWKWXONHNSMMZ-VHSXEESVSA-N 2 0 228.405 1.858 20 0 BDADRP CC[C@@H]1CC(N[C@H]2CC23C[NH2+]C3)C[C@@H](CC)[NH2+]1 ZINC001246444254 987804009 /nfs/dbraw/zinc/80/40/09/987804009.db2.gz JDLJVLVQOWGSMX-WZRBSPASSA-N 2 0 237.391 1.247 20 0 BDADRP CCC[C@@]1(CN[C@H](C)CC[NH2+]C)CC[NH2+]1 ZINC001246455123 987812756 /nfs/dbraw/zinc/81/27/56/987812756.db2.gz GWXXTFZJLISZEA-NEPJUHHUSA-N 2 0 213.369 1.106 20 0 BDADRP C[C@H]1CC[C@H]([NH2+]CCC[NH2+]CCCC[NH3+])C1 ZINC001246458753 987817184 /nfs/dbraw/zinc/81/71/84/987817184.db2.gz VCQGNTFWNOCWSY-STQMWFEESA-N 3 0 227.396 1.483 20 0 BDADRP CCCC[C@@H](C)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246459491 987817364 /nfs/dbraw/zinc/81/73/64/987817364.db2.gz AQBGQVLGAGMSTC-NEPJUHHUSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@@]1([NH3+])C[C@H]([NH2+][C@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001246458496 987817628 /nfs/dbraw/zinc/81/76/28/987817628.db2.gz GTBJLIZATKUMDA-FQUUOJAGSA-N 3 0 237.391 1.378 20 0 BDADRP CC[C@@H]1C[C@H](N[C@H]2C[C@@](C)([NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246460766 987819842 /nfs/dbraw/zinc/81/98/42/987819842.db2.gz NCVUOHOASWTGHL-IZHRXLMESA-N 2 0 239.407 1.765 20 0 BDADRP C[NH2+][C@H]1C[C@H](N[C@H]2CC[NH2+][C@H](C(C)C)C2)C1 ZINC001246460460 987820475 /nfs/dbraw/zinc/82/04/75/987820475.db2.gz IHRBZBGNZDFQJU-CYDGBPFRSA-N 2 0 225.380 1.103 20 0 BDADRP CC(C)[C@@H]1C[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC001474763209 987821372 /nfs/dbraw/zinc/82/13/72/987821372.db2.gz VOQVOBIVZICJPG-QWHCGFSZSA-N 2 0 210.365 1.962 20 0 BDADRP C[C@H]1CC[C@H](Nc2ccc(C[NH3+])c(F)c2)C[NH2+]1 ZINC001246465359 987822208 /nfs/dbraw/zinc/82/22/08/987822208.db2.gz WTOHVDZYIZJHGD-CABZTGNLSA-N 2 0 237.322 1.837 20 0 BDADRP CCCC[C@H]1C[C@@H](N[C@H]2C[C@@](C)([NH3+])C2)CC[NH2+]1 ZINC001246467728 987826427 /nfs/dbraw/zinc/82/64/27/987826427.db2.gz ZSEXUBKUPPNYJB-XDQVBPFNSA-N 2 0 239.407 1.767 20 0 BDADRP COC(=O)CC[C@@H](C)[NH2+][C@H]1CCCC[C@H]1[NH3+] ZINC001246477221 987829871 /nfs/dbraw/zinc/82/98/71/987829871.db2.gz HKXSOZJFYGIAJT-MXWKQRLJSA-N 2 0 228.336 1.188 20 0 BDADRP [NH3+][C@@H]1CCCC[C@@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246475350 987830840 /nfs/dbraw/zinc/83/08/40/987830840.db2.gz FZWULDRIMNOFPF-SJHCENCUSA-N 2 0 223.364 1.129 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)CCO1 ZINC001246474723 987832108 /nfs/dbraw/zinc/83/21/08/987832108.db2.gz AOORXXCUADIPSD-YFKTTZPYSA-N 2 0 230.327 1.091 20 0 BDADRP C[C@H]1CC([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)C[C@H](C)O1 ZINC001246478196 987834963 /nfs/dbraw/zinc/83/49/63/987834963.db2.gz UQUMOPUPRVCIGZ-ZPFDUUQYSA-N 2 0 244.354 1.480 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N[C@H]2CCCC[C@H]2[NH3+])CC[NH2+]1 ZINC001246478033 987835701 /nfs/dbraw/zinc/83/57/01/987835701.db2.gz MOKKEHHXEVMFMS-CRWXNKLISA-N 2 0 239.407 1.623 20 0 BDADRP CCC[C@H](C)[NH2+]C[C@@H]1CC[NH2+]C[C@@H]1F ZINC001246477341 987835878 /nfs/dbraw/zinc/83/58/78/987835878.db2.gz OKLDCVFELSCNEV-DCAQKATOSA-N 2 0 202.317 1.712 20 0 BDADRP CC[C@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2[NH3+])CCO1 ZINC001246479918 987836760 /nfs/dbraw/zinc/83/67/60/987836760.db2.gz WDFYFDJUHJJESN-XQHKEYJVSA-N 2 0 226.364 1.804 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H]1CCCC[C@H]1[NH3+])C2 ZINC001246479331 987839101 /nfs/dbraw/zinc/83/91/01/987839101.db2.gz TVMVXWUKNZQEBA-RGDJUOJXSA-N 2 0 237.391 1.471 20 0 BDADRP [NH3+][C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCOCC1 ZINC001246479389 987839172 /nfs/dbraw/zinc/83/91/72/987839172.db2.gz UWPWUGFNTOEAJE-UTUOFQBUSA-N 2 0 212.337 1.415 20 0 BDADRP [NH3+]Cc1ccc(CCN[C@H]2CCCC[NH2+]C2)cc1 ZINC001246483661 987841676 /nfs/dbraw/zinc/84/16/76/987841676.db2.gz MSMDGKYIUBYMOG-HNNXBMFYSA-N 2 0 247.386 1.420 20 0 BDADRP C[NH2+][C@H]1C[C@@H](N[C@H]2CC[NH2+][C@H](C(C)(C)C)C2)C1 ZINC001246494146 987849995 /nfs/dbraw/zinc/84/99/95/987849995.db2.gz FFWHMGLNKABFJJ-RVMXOQNASA-N 2 0 239.407 1.493 20 0 BDADRP CC(C)C[C@@H](C[NH3+])N[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246503305 987856587 /nfs/dbraw/zinc/85/65/87/987856587.db2.gz KIOGBPSCZZDGJI-RYUDHWBXSA-N 2 0 227.396 1.480 20 0 BDADRP CC[C@H]1C[C@@H](N[C@@H]2C[NH2+]C[C@H](C)C2)CC[NH2+]1 ZINC001246500571 987856815 /nfs/dbraw/zinc/85/68/15/987856815.db2.gz XIKVMDSCUXSRMH-VOAKCMCISA-N 2 0 225.380 1.105 20 0 BDADRP Nc1ccc(C2([NH2+]C3CC[NH2+]CC3)CC2)cc1 ZINC001246501267 987857433 /nfs/dbraw/zinc/85/74/33/987857433.db2.gz BQRAOXGCPDASRI-UHFFFAOYSA-N 2 0 231.343 1.600 20 0 BDADRP CC(C)N([C@@H]1CC[NH2+][C@H](C)C1)C(C)(C)C[NH3+] ZINC001246506295 987858764 /nfs/dbraw/zinc/85/87/64/987858764.db2.gz ZODASEZHOGCGHX-VXGBXAGGSA-N 2 0 227.396 1.575 20 0 BDADRP C[C@@H]1CC[C@H](NC[C@@H](CO)c2ccccc2)C[NH2+]1 ZINC001246504372 987859256 /nfs/dbraw/zinc/85/92/56/987859256.db2.gz PUGLIGHPALONAT-SNPRPXQTSA-N 2 0 248.370 1.493 20 0 BDADRP CO[C@H]1CC[C@@H]([NH2+]C2CC[NH2+]CC2)CC1 ZINC001246517347 987866866 /nfs/dbraw/zinc/86/68/66/987866866.db2.gz ZUTUPHRFUDUWFE-KLPPZKSPSA-N 2 0 212.337 1.286 20 0 BDADRP CCCC[N@H+](CC)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246521314 987867952 /nfs/dbraw/zinc/86/79/52/987867952.db2.gz OHAARLWQBCIEGQ-GFCCVEGCSA-N 2 0 225.380 1.202 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC[NH2+]CC1)C2 ZINC001246522314 987872482 /nfs/dbraw/zinc/87/24/82/987872482.db2.gz CEIRDHNYTSQOBS-BTTYYORXSA-N 2 0 237.391 1.297 20 0 BDADRP C[NH2+]CCN(C)[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246522948 987872556 /nfs/dbraw/zinc/87/25/56/987872556.db2.gz KIYCOXDIBGGCQD-CABCVRRESA-N 2 0 247.386 1.631 20 0 BDADRP CCCC[C@@H]1C[C@@H](N(C)CC[NH2+]C)CC[NH2+]1 ZINC001246524822 987874548 /nfs/dbraw/zinc/87/45/48/987874548.db2.gz SJEKMMYGWBKGTM-OLZOCXBDSA-N 2 0 227.396 1.448 20 0 BDADRP C1C[NH2+]C[C@@H](N2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001246524434 987875194 /nfs/dbraw/zinc/87/51/94/987875194.db2.gz QKGONAWKTKSURL-ZDUSSCGKSA-N 3 0 237.391 1.204 20 0 BDADRP C1CC2(C[C@@H]1[N@@H+]1CCCNCC1)CC[NH2+]CC2 ZINC001246526413 987879086 /nfs/dbraw/zinc/87/90/86/987879086.db2.gz WSLMCGAUGADFJW-CYBMUJFWSA-N 2 0 237.391 1.204 20 0 BDADRP CCCC[C@@H]1C[C@@H](N2C[C@@H](F)[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246526227 987879068 /nfs/dbraw/zinc/87/90/68/987879068.db2.gz NZQQLHGNIDZUOT-XQHKEYJVSA-N 2 0 243.370 1.278 20 0 BDADRP C[C@@]1([NH3+])CCN([C@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC001246527484 987882031 /nfs/dbraw/zinc/88/20/31/987882031.db2.gz DOVVHOMPMKWHBA-NWDGAFQWSA-N 2 0 223.364 1.084 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001246527719 987882468 /nfs/dbraw/zinc/88/24/68/987882468.db2.gz VTTOZKMOCVMUSN-XQQFMLRXSA-N 2 0 245.386 1.478 20 0 BDADRP C[NH2+]C1CN(C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246527138 987883868 /nfs/dbraw/zinc/88/38/68/987883868.db2.gz LLPCKYKHLXOQIP-UHFFFAOYSA-N 2 0 237.391 1.202 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N1CC[C@@](C)([NH3+])C1 ZINC001246529846 987887185 /nfs/dbraw/zinc/88/71/85/987887185.db2.gz MFDVCQAABHPFQZ-QWHCGFSZSA-N 2 0 227.396 1.530 20 0 BDADRP CCC[N@H+]([C@H](C)CC)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246532408 987892015 /nfs/dbraw/zinc/89/20/15/987892015.db2.gz ZTQREOMDHCNION-CHWSQXEVSA-N 2 0 239.407 1.591 20 0 BDADRP CC[C@@H]1CC(N2CCC[C@H]([NH3+])C2)C[C@@H](CC)[NH2+]1 ZINC001246536590 987895763 /nfs/dbraw/zinc/89/57/63/987895763.db2.gz RNGJJJOHJQEQJD-YNEHKIRRSA-N 2 0 239.407 1.719 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2CCC[C@@](C)([NH3+])C2)CC[NH2+]1 ZINC001246537859 987897729 /nfs/dbraw/zinc/89/77/29/987897729.db2.gz DLULPEUKZNHSER-HZSPNIEDSA-N 2 0 239.407 1.576 20 0 BDADRP C[C@]1([NH3+])CC[N@@H+](C2CCC3(CC[NH2+]C3)CC2)C1 ZINC001246537192 987897867 /nfs/dbraw/zinc/89/78/67/987897867.db2.gz YXDXTGQYQUNLHH-MOKVOYLWSA-N 3 0 237.391 1.332 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(C[NH3+])CC1)C2 ZINC001246538991 987899768 /nfs/dbraw/zinc/89/97/68/987899768.db2.gz RGIMNJHITLQFCE-WDNDVIMCSA-N 3 0 237.391 1.282 20 0 BDADRP C[C@@H]1CC(N2CCC[C@](C)([NH3+])C2)C[C@@H](C)[NH2+]1 ZINC001246540214 987900381 /nfs/dbraw/zinc/90/03/81/987900381.db2.gz LYJVMSJUXLBOIA-WZRBSPASSA-N 2 0 225.380 1.329 20 0 BDADRP C[C@@H]1CC(N2CCC[C@H]([NH3+])CC2)C[C@@H](C)[NH2+]1 ZINC001246539730 987906112 /nfs/dbraw/zinc/90/61/12/987906112.db2.gz IMZQNCBNYHIVID-UTUOFQBUSA-N 2 0 225.380 1.329 20 0 BDADRP C[C@H]1CN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@H]1C[NH3+] ZINC001246540525 987906314 /nfs/dbraw/zinc/90/63/14/987906314.db2.gz JTQYIAWLINPYRS-MEBFFEOJSA-N 3 0 237.391 1.138 20 0 BDADRP C[C@@H](CC1CC1)[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246543901 987907631 /nfs/dbraw/zinc/90/76/31/987907631.db2.gz OVCXTVZXQUBORI-AAEUAGOBSA-N 2 0 226.364 1.351 20 0 BDADRP CC[C@@H]1C[C@@H]([N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)CCO1 ZINC001246541476 987911601 /nfs/dbraw/zinc/91/16/01/987911601.db2.gz LSBPDULUYBABJV-QNWHQSFQSA-N 2 0 226.364 1.471 20 0 BDADRP COC(=O)CCCC[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246542723 987911959 /nfs/dbraw/zinc/91/19/59/987911959.db2.gz KWQLWZYPGCYQRU-QJPTWQEYSA-N 2 0 242.363 1.530 20 0 BDADRP C[C@H]1C[N@@H+]([C@H]2CCCOCC2)C[C@H]1C[NH3+] ZINC001246543045 987914017 /nfs/dbraw/zinc/91/40/17/987914017.db2.gz RPRFFDZQBPLRMV-TUAOUCFPSA-N 2 0 212.337 1.082 20 0 BDADRP [NH3+]C[C@@]1(O)CCC[N@@H+]([C@@H]2CCCSC2)CC1 ZINC001246544594 987920913 /nfs/dbraw/zinc/92/09/13/987920913.db2.gz RGAHBCGCVQIITC-VXGBXAGGSA-N 2 0 244.404 1.058 20 0 BDADRP [NH3+][C@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246544966 987922805 /nfs/dbraw/zinc/92/28/05/987922805.db2.gz IOQGGHWYFDEPNE-ACJTYDJDSA-N 2 0 223.364 1.083 20 0 BDADRP CC[C@@H]1C[C@H](N2CC[C@@H]([NH3+])[C@H]2C)C[C@H](CC)[NH2+]1 ZINC001246546238 987925521 /nfs/dbraw/zinc/92/55/21/987925521.db2.gz ZDPMWUSZOCWIPD-PEBLQZBPSA-N 2 0 239.407 1.717 20 0 BDADRP [NH3+]C[C@]1(F)CCC[N@@H+]([C@H]2CCC[NH2+]CC2)CC1 ZINC001246552952 987950926 /nfs/dbraw/zinc/95/09/26/987950926.db2.gz WLRZJHXSTBGJDS-STQMWFEESA-N 3 0 243.370 1.281 20 0 BDADRP [NH3+]CC1CC[NH+](C2C[C@@H]3CC(=O)C[C@H]3C2)CC1 ZINC001246552023 987955507 /nfs/dbraw/zinc/95/55/07/987955507.db2.gz UPOPGMCZYHYLRR-VXGBXAGGSA-N 2 0 236.359 1.415 20 0 BDADRP C[C@H]1CC[C@H](C[NH3+])N(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246554195 987958764 /nfs/dbraw/zinc/95/87/64/987958764.db2.gz CZHORIZLVRHWMZ-UKIXVXPJSA-N 2 0 237.391 1.329 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@](C)([NH3+])CC2)CCO1 ZINC001246556041 987965605 /nfs/dbraw/zinc/96/56/05/987965605.db2.gz YHAAQZJQOSPJCF-AGIUHOORSA-N 2 0 226.364 1.757 20 0 BDADRP CC1(C)CCC[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)C1 ZINC001246556785 987966027 /nfs/dbraw/zinc/96/60/27/987966027.db2.gz DEJUXJXPQBWAAK-QJPTWQEYSA-N 2 0 226.364 1.349 20 0 BDADRP C[C@@H]1CC[N@@H+]([C@H]2CCCOCC2)CC[C@H]1C[NH3+] ZINC001246555855 987966478 /nfs/dbraw/zinc/96/64/78/987966478.db2.gz HEMITZWJNCQFMY-RDBSUJKOSA-N 2 0 240.391 1.862 20 0 BDADRP C[C@@H]1CC[N@@H+]([C@H]2CCCN(C)C2)CC[C@@H]1C[NH3+] ZINC001246555712 987967294 /nfs/dbraw/zinc/96/72/94/987967294.db2.gz FUARHRIWEPLCCR-MCIONIFRSA-N 2 0 239.407 1.387 20 0 BDADRP C[C@@H]1C[C@@H](N2CCC[C@@](C)([NH3+])CC2)C[C@H](C)[NH2+]1 ZINC001246556234 987969019 /nfs/dbraw/zinc/96/90/19/987969019.db2.gz YUCLTAQBKQAEHJ-XJFOESAGSA-N 2 0 239.407 1.719 20 0 BDADRP C[C@H]1C[C@@H]([N@@H+]2CCC[C@](C)([NH3+])CC2)CCO1 ZINC001246556043 987970530 /nfs/dbraw/zinc/97/05/30/987970530.db2.gz YHAAQZJQOSPJCF-AVGNSLFASA-N 2 0 226.364 1.757 20 0 BDADRP C[C@@H]1CC[C@@H](CN)[N@@H+]([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC001246555693 987971470 /nfs/dbraw/zinc/97/14/70/987971470.db2.gz HOMBRQIFRRRMOS-DGTMBMJNSA-N 2 0 237.391 1.044 20 0 BDADRP C[C@@H]1CCC[C@H]([N@@H+]2CCCC[C@](O)(C[NH3+])C2)C1 ZINC001246558484 987975770 /nfs/dbraw/zinc/97/57/70/987975770.db2.gz LDDCKFBLTGCTOI-RDBSUJKOSA-N 2 0 240.391 1.741 20 0 BDADRP C[C@@H]1CC[C@H](C[NH3+])N([C@H]2CCC[N@H+](C)CC2)C1 ZINC001246558401 987976765 /nfs/dbraw/zinc/97/67/65/987976765.db2.gz QBJCNHZWIHJBOG-HZSPNIEDSA-N 2 0 239.407 1.530 20 0 BDADRP CCCC[C@@H](CC)[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246558727 987983122 /nfs/dbraw/zinc/98/31/22/987983122.db2.gz MXUIWWJOBTXMLQ-IJLUTSLNSA-N 2 0 214.353 1.349 20 0 BDADRP C[C@@H]1CCN([C@@H]2CCCC[NH2+]C2)CC[C@H]1C[NH3+] ZINC001246561424 987991360 /nfs/dbraw/zinc/99/13/60/987991360.db2.gz SNOZIVBUGSSZPK-HZSPNIEDSA-N 2 0 239.407 1.435 20 0 BDADRP C[NH2+]CC[C@@H](C)[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246562096 987994819 /nfs/dbraw/zinc/99/48/19/987994819.db2.gz VSTJBYJDNWPFCD-VXGBXAGGSA-N 3 0 231.359 1.137 20 0 BDADRP C[C@@H]1CC[N@@H+](C2CCN(C)CC2)CC[C@@H]1C[NH3+] ZINC001246562713 988004282 /nfs/dbraw/zinc/00/42/82/988004282.db2.gz WESDKQWPPKKEHV-CHWSQXEVSA-N 2 0 239.407 1.387 20 0 BDADRP C[C@@H]1C[C@H](N2CCC[C@@H](C[NH3+])[C@H](C)C2)C[NH2+]1 ZINC001246562967 988008256 /nfs/dbraw/zinc/00/82/56/988008256.db2.gz BVRDNCILTUJLLU-NDBYEHHHSA-N 2 0 225.380 1.044 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]CC[C@H](C)[NH2+]C)C12CCC2 ZINC001118121217 988022256 /nfs/dbraw/zinc/02/22/56/988022256.db2.gz CBNSEXAHTMQRII-RWMBFGLXSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]1CC(N2CC[C@@H](F)[C@@H]([NH3+])CC2)C[C@@H](C)[NH2+]1 ZINC001246566268 988026101 /nfs/dbraw/zinc/02/61/01/988026101.db2.gz FTDXMUBLKINTGQ-WFFHOREQSA-N 2 0 243.370 1.277 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)CCO1 ZINC001246569080 988038286 /nfs/dbraw/zinc/03/82/86/988038286.db2.gz PTRAUMDBKGXJLQ-RFQIPJPRSA-N 2 0 240.391 1.861 20 0 BDADRP C(SC[C@H]1CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC001118135095 988038653 /nfs/dbraw/zinc/03/86/53/988038653.db2.gz IQXCMLUPYJWNHL-LBPRGKRZSA-N 2 0 228.405 1.719 20 0 BDADRP CC(C)[C@H]1C[C@H](N2CC[NH2+]C[C@@H](C)C2)CC[NH2+]1 ZINC001246573538 988073350 /nfs/dbraw/zinc/07/33/50/988073350.db2.gz RULHGLOBRSRYTB-MGPQQGTHSA-N 2 0 239.407 1.304 20 0 BDADRP CC(C)[C@H]1C[C@@H](N2CC[NH2+]C[C@@H](C)C2)CC[NH2+]1 ZINC001246573536 988074843 /nfs/dbraw/zinc/07/48/43/988074843.db2.gz RULHGLOBRSRYTB-HZSPNIEDSA-N 2 0 239.407 1.304 20 0 BDADRP CC[N@@H+]1CC[C@@H](N2CCCC[C@](F)(C[NH3+])C2)C1 ZINC001246574111 988075828 /nfs/dbraw/zinc/07/58/28/988075828.db2.gz DCFKPTCTIFLUAG-OLZOCXBDSA-N 2 0 243.370 1.234 20 0 BDADRP CCCC[C@@H](CC)[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246580193 988097629 /nfs/dbraw/zinc/09/76/29/988097629.db2.gz KYKMXSYOMKJKMV-TUAOUCFPSA-N 2 0 214.353 1.207 20 0 BDADRP C[C@@]1(C[NH3+])CCCCN([C@@H]2CCCC[NH2+]C2)C1 ZINC001246579718 988102752 /nfs/dbraw/zinc/10/27/52/988102752.db2.gz GRYFBFOPYDJLHC-KGLIPLIRSA-N 2 0 239.407 1.579 20 0 BDADRP [NH3+]C[C@H]1CCCC[N@@H+](C2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001246581984 988113948 /nfs/dbraw/zinc/11/39/48/988113948.db2.gz LWGKEJROOBTJRU-RLAWYHOSSA-N 2 0 238.375 1.757 20 0 BDADRP COC[C@@H](C)[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246583778 988120044 /nfs/dbraw/zinc/12/00/44/988120044.db2.gz KSCFQKVCZHIOLD-NEPJUHHUSA-N 2 0 214.353 1.472 20 0 BDADRP C[C@]1(C[NH3+])CCCCN([C@@H]2CCC[NH2+]CC2)C1 ZINC001246583249 988125394 /nfs/dbraw/zinc/12/53/94/988125394.db2.gz IXHRLMQUDMXJRS-ZIAGYGMSSA-N 2 0 239.407 1.579 20 0 BDADRP [NH3+]C[C@H]1C[N@@H+](C2CCCCCCC2)C[C@@H]1O ZINC001246585559 988136417 /nfs/dbraw/zinc/13/64/17/988136417.db2.gz PBKUTQJYHPYWNW-AAEUAGOBSA-N 2 0 226.364 1.351 20 0 BDADRP CCCCC[C@H](CC)[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246584498 988139136 /nfs/dbraw/zinc/13/91/36/988139136.db2.gz NHCKIKKIRRWEGH-AVGNSLFASA-N 2 0 228.380 1.597 20 0 BDADRP CC[C@H](CC(C)C)[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246588489 988152819 /nfs/dbraw/zinc/15/28/19/988152819.db2.gz ZSZKXBDZDYLCPH-TUAOUCFPSA-N 2 0 214.353 1.063 20 0 BDADRP C[C@@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@]1(C)O ZINC001246587161 988149808 /nfs/dbraw/zinc/14/98/08/988149808.db2.gz FTPCOEUSFYODEE-YIPFDTCYSA-N 2 0 238.375 1.362 20 0 BDADRP C[C@@]1(C[NH3+])CCCCN(C2C[C@@H]3C=C[C@H](C2)[NH2+]3)C1 ZINC001246588736 988154649 /nfs/dbraw/zinc/15/46/49/988154649.db2.gz CICBXTHVGCOQQY-IXXDHKBRSA-N 2 0 249.402 1.496 20 0 BDADRP C[NH2+][C@@H](C)CCNC(=O)[C@H]([NH3+])C1CCCCC1 ZINC001118256388 988158379 /nfs/dbraw/zinc/15/83/79/988158379.db2.gz SCGSYNHBBFAKES-CMPLNLGQSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@H]1CC[C@H](C[NH3+])CN1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246590045 988166694 /nfs/dbraw/zinc/16/66/94/988166694.db2.gz HWZNFPZPHMWWJA-IZXDZPFWSA-N 2 0 237.391 1.329 20 0 BDADRP CC[N@@H+]1CC[C@H](N2CCCC[C@](C)(C[NH3+])C2)C1 ZINC001246593398 988173611 /nfs/dbraw/zinc/17/36/11/988173611.db2.gz MSEPVVWXXIOOIK-UONOGXRCSA-N 2 0 239.407 1.532 20 0 BDADRP [NH3+]C[C@H]1CCCC[N@@H+]([C@H]2CCC3(C[NH2+]C3)C2)C1 ZINC001246593436 988176602 /nfs/dbraw/zinc/17/66/02/988176602.db2.gz NDVQYXUNTBPJQT-OLZOCXBDSA-N 3 0 237.391 1.189 20 0 BDADRP C[C@@H]1CC[C@@H](N2CCCC[C@H](C[NH3+])C2)C[NH2+]1 ZINC001246597256 988194717 /nfs/dbraw/zinc/19/47/17/988194717.db2.gz WXPXBMRMBMGCJC-JHJVBQTASA-N 2 0 225.380 1.188 20 0 BDADRP CC[C@@H]1C[C@H](N2CCCC[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC001246597649 988196151 /nfs/dbraw/zinc/19/61/51/988196151.db2.gz YAHXJDSSEKJRNS-BFHYXJOUSA-N 2 0 239.407 1.578 20 0 BDADRP CC(C)(C)[C@@H]1C[C@@H](N2CC3(C[NH2+]C3)C2)CC[NH2+]1 ZINC001246614068 988238386 /nfs/dbraw/zinc/23/83/86/988238386.db2.gz NDRVKYBYPSKKPD-RYUDHWBXSA-N 2 0 237.391 1.058 20 0 BDADRP C1CC2(CCCCC2)[N@@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246610513 988240924 /nfs/dbraw/zinc/24/09/24/988240924.db2.gz BGFPZKFBBDSNEB-ZDUSSCGKSA-N 2 0 249.402 1.489 20 0 BDADRP CCCCC[C@H](C)[N@@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246621861 988272631 /nfs/dbraw/zinc/27/26/31/988272631.db2.gz GNJBCLGMZXGFKQ-BFHYXJOUSA-N 2 0 240.391 1.875 20 0 BDADRP C1C[C@@H]2[C@@H](CC[N@@H+]2[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)[NH2+]1 ZINC001246634700 988318572 /nfs/dbraw/zinc/31/85/72/988318572.db2.gz AWRPRQATZMDUOJ-KBUPBQIOSA-N 3 0 249.402 1.345 20 0 BDADRP CCOC1CCC([N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001246636334 988326070 /nfs/dbraw/zinc/32/60/70/988326070.db2.gz VJBPPMAYFJGZDO-CLRIEMFWSA-N 2 0 238.375 1.770 20 0 BDADRP CC1(C)C[C@H]([N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)CCO1 ZINC001246636980 988331491 /nfs/dbraw/zinc/33/14/91/988331491.db2.gz HZZBRRMGGWLIFX-IJLUTSLNSA-N 2 0 224.348 1.380 20 0 BDADRP CC(C)[C@H]1C[C@H](N2CC[C@H]3[NH2+]CC[C@H]32)CC[NH2+]1 ZINC001246639272 988335192 /nfs/dbraw/zinc/33/51/92/988335192.db2.gz PHMJBBOBIRHQNS-AAVRWANBSA-N 2 0 237.391 1.199 20 0 BDADRP CC[N@@H+]1CC[C@H](N2CCCC[C@]23CC[NH2+]C3)C1 ZINC001246644074 988357421 /nfs/dbraw/zinc/35/74/21/988357421.db2.gz PMXHXELBSPZFJX-UONOGXRCSA-N 2 0 237.391 1.299 20 0 BDADRP C1C[C@]2(C[NH2+]1)CCCC[N@@H+]2[C@H]1CCCOCC1 ZINC001246645831 988365215 /nfs/dbraw/zinc/36/52/15/988365215.db2.gz WFBPQKFILOLXSQ-KBPBESRZSA-N 2 0 238.375 1.774 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N2C[C@@H]3CC[NH2+][C@@H]3C2)CC[NH2+]1 ZINC001246649562 988371762 /nfs/dbraw/zinc/37/17/62/988371762.db2.gz CTTIXGIPBBJOLA-XDQVBPFNSA-N 2 0 237.391 1.057 20 0 BDADRP C1CO[C@H]2C[N@@H+](C3CC[NH2+]CC3)CC[C@H]2C1 ZINC001246648424 988372993 /nfs/dbraw/zinc/37/29/93/988372993.db2.gz PQRBAFVRLFXJNK-YPMHNXCESA-N 2 0 224.348 1.239 20 0 BDADRP C1[NH2+][C@H]2CCCN([C@H]3CCC[C@@]4(CC[NH2+]C4)C3)[C@@H]12 ZINC001246666012 988406029 /nfs/dbraw/zinc/40/60/29/988406029.db2.gz VQVXTXUVKWROKO-ZQDZILKHSA-N 2 0 249.402 1.345 20 0 BDADRP C[C@H]1C[NH2+]CCN1[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246672894 988414946 /nfs/dbraw/zinc/41/49/46/988414946.db2.gz MRRDIKLWOCLEBD-XQQFMLRXSA-N 2 0 239.407 1.447 20 0 BDADRP C[C@@H]1C[C@@H]([NH+]2CCC(C3C[NH2+]C3)CC2)CC[NH2+]1 ZINC001246679508 988426698 /nfs/dbraw/zinc/42/66/98/988426698.db2.gz PXXRZKABZVIIMG-RISCZKNCSA-N 3 0 237.391 1.058 20 0 BDADRP CC(C)[C@@H]1CN([C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC001246685851 988428954 /nfs/dbraw/zinc/42/89/54/988428954.db2.gz KWGYGUYNJVXKGO-DGAVXFQQSA-N 2 0 237.391 1.199 20 0 BDADRP CC(C)[C@@H]1CN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC001246685853 988432495 /nfs/dbraw/zinc/43/24/95/988432495.db2.gz KWGYGUYNJVXKGO-PIGZVRMJSA-N 2 0 237.391 1.199 20 0 BDADRP CC(C)[C@@H]1C[NH2+]CCN1[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246695094 988441631 /nfs/dbraw/zinc/44/16/31/988441631.db2.gz LSENCNAWXZCWIL-XQQFMLRXSA-N 2 0 225.380 1.057 20 0 BDADRP CC[NH2+]C[C@H](C)NC(=O)[C@H](CC)[NH+](CC)CC ZINC001498108687 988457511 /nfs/dbraw/zinc/45/75/11/988457511.db2.gz JHSDMVYAFMGJFY-RYUDHWBXSA-N 2 0 243.395 1.221 20 0 BDADRP CCN(C1CC[NH2+]CC1)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246798572 988477946 /nfs/dbraw/zinc/47/79/46/988477946.db2.gz VDWMECGFAXONOF-AAEUAGOBSA-N 2 0 225.380 1.201 20 0 BDADRP CCN(C1CC[NH2+]CC1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246798577 988481290 /nfs/dbraw/zinc/48/12/90/988481290.db2.gz VDWMECGFAXONOF-YPMHNXCESA-N 2 0 225.380 1.201 20 0 BDADRP CC[C@@H]1C[NH2+]CCN1[C@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246801958 988483828 /nfs/dbraw/zinc/48/38/28/988483828.db2.gz HUWKXQMFWJSDGG-RDBSUJKOSA-N 2 0 239.407 1.447 20 0 BDADRP CC[C@H]1CN([C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC001246802169 988483866 /nfs/dbraw/zinc/48/38/66/988483866.db2.gz JUDWSMJNMBBGTB-FQUUOJAGSA-N 2 0 237.391 1.343 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2CC[NH2+]C(C)(C)C2)CC[NH2+]1 ZINC001246815986 988501422 /nfs/dbraw/zinc/50/14/22/988501422.db2.gz GESRIORQACIUJY-OLZOCXBDSA-N 2 0 239.407 1.447 20 0 BDADRP CC(=O)C1CC[NH+]([C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246816243 988501934 /nfs/dbraw/zinc/50/19/34/988501934.db2.gz HZRWYZSSHJAOOR-MFKMUULPSA-N 2 0 224.348 1.428 20 0 BDADRP CC[C@H]1C[C@@H](N2CC[NH2+]C(C)(C)C2)CC[NH2+]1 ZINC001246816726 988502784 /nfs/dbraw/zinc/50/27/84/988502784.db2.gz MKFBTRKWRBVCIZ-RYUDHWBXSA-N 2 0 225.380 1.201 20 0 BDADRP C[NH2+]CC[C@H](C)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246823553 988511972 /nfs/dbraw/zinc/51/19/72/988511972.db2.gz CSINLLKUWSIQLE-ZFWWWQNUSA-N 2 0 247.386 1.631 20 0 BDADRP CCCC[C@H]1C[C@H](N(C)C2C[NH2+]C2)CC[NH2+]1 ZINC001246831270 988528764 /nfs/dbraw/zinc/52/87/64/988528764.db2.gz BXGTVIPSWZNCEH-NWDGAFQWSA-N 2 0 225.380 1.201 20 0 BDADRP CC[C@H]1CC(N(C)C2C[NH2+]C2)C[C@H](CC)[NH2+]1 ZINC001246831931 988530206 /nfs/dbraw/zinc/53/02/06/988530206.db2.gz GQABFCKOUFVVJR-QWRGUYRKSA-N 2 0 225.380 1.199 20 0 BDADRP CC(C)CCC[C@@H](C)N(CC[NH3+])CC[NH3+] ZINC001246836162 988532502 /nfs/dbraw/zinc/53/25/02/988532502.db2.gz ZQHVZUPDFQFPRS-GFCCVEGCSA-N 2 0 215.385 1.421 20 0 BDADRP CC[C@@H](C)C[C@H](CC)N(CC[NH3+])CC[NH3+] ZINC001246834439 988533725 /nfs/dbraw/zinc/53/37/25/988533725.db2.gz UVZSHZLTJRLBFH-NEPJUHHUSA-N 2 0 215.385 1.421 20 0 BDADRP CC1(C)C[C@H](N2CC3(C2)CCCC[NH2+]3)CC[NH2+]1 ZINC001246835007 988535603 /nfs/dbraw/zinc/53/56/03/988535603.db2.gz XEGNHRKOZLAGPQ-GFCCVEGCSA-N 2 0 237.391 1.345 20 0 BDADRP CC(C)CCC[C@H](C)N(CC[NH3+])CC[NH3+] ZINC001246836163 988535743 /nfs/dbraw/zinc/53/57/43/988535743.db2.gz ZQHVZUPDFQFPRS-LBPRGKRZSA-N 2 0 215.385 1.421 20 0 BDADRP C[C@@H]1C[C@@H](N(C)C[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246839669 988538463 /nfs/dbraw/zinc/53/84/63/988538463.db2.gz DLSZHVLOPINKHJ-AGIUHOORSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H]1C[C@H](n2ccnc2[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246848808 988563314 /nfs/dbraw/zinc/56/33/14/988563314.db2.gz OIBIPSWUKALYNB-JHJVBQTASA-N 2 0 248.374 1.663 20 0 BDADRP CCC(CC)[N@H+](C)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246848101 988563733 /nfs/dbraw/zinc/56/37/33/988563733.db2.gz WCLUSPDRQKDMSD-LBPRGKRZSA-N 2 0 225.380 1.201 20 0 BDADRP C[NH2+]Cc1c(C)nn(C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1C ZINC001246848219 988564454 /nfs/dbraw/zinc/56/44/54/988564454.db2.gz XOPOCRJCGMYBMJ-FUNVUKJBSA-N 2 0 248.374 1.675 20 0 BDADRP CCN([C@H]1CCC[NH2+]C1)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246853192 988573638 /nfs/dbraw/zinc/57/36/38/988573638.db2.gz HYDNWOVFLHRUFT-AVGNSLFASA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H]1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)C[NH2+]1 ZINC001246859628 988584596 /nfs/dbraw/zinc/58/45/96/988584596.db2.gz MCQSAYOBCKQKOL-LVEVGFFFSA-N 2 0 212.312 1.559 20 0 BDADRP CCC[C@@H](C)[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246859551 988586043 /nfs/dbraw/zinc/58/60/43/988586043.db2.gz LGFSVEMXBBPOIK-YIBTVLSRSA-N 2 0 212.337 1.081 20 0 BDADRP COC1CCC([N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)CC1 ZINC001246859329 988588519 /nfs/dbraw/zinc/58/85/19/988588519.db2.gz JUOLIAMKOGSWDZ-XVSSEFHLSA-N 2 0 224.348 1.367 20 0 BDADRP CC[C@@H]1C[C@H](N2C[C@H](C)C[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246860292 988600737 /nfs/dbraw/zinc/60/07/37/988600737.db2.gz GJMKCRGCKQTYSL-FDYHWXHSSA-N 2 0 225.380 1.186 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001246861393 988604640 /nfs/dbraw/zinc/60/46/40/988604640.db2.gz PEKZVIGNTFRFQB-BFHYXJOUSA-N 2 0 239.407 1.530 20 0 BDADRP [NH3+][C@]12CC[C@@H]1C[N@@H+]([C@@H]1CCC[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246861364 988605328 /nfs/dbraw/zinc/60/53/28/988605328.db2.gz PBJFJRKBAUVNPF-TUVASFSCSA-N 3 0 249.402 1.332 20 0 BDADRP C[C@H]1C[C@@H]([NH+]2CCC(n3cccn3)CC2)CC[NH2+]1 ZINC001246866215 988611615 /nfs/dbraw/zinc/61/16/15/988611615.db2.gz ISFKUCPRTHXRGS-JSGCOSHPSA-N 2 0 248.374 1.661 20 0 BDADRP CCCC[C@@H]1C[C@H](N2C[C@H]3C[C@@]3([NH3+])C2)CC[NH2+]1 ZINC001246869567 988626730 /nfs/dbraw/zinc/62/67/30/988626730.db2.gz MOHDRXQFZUTPSV-AAVRWANBSA-N 2 0 237.391 1.330 20 0 BDADRP CC[C@@]12C[C@@H](CO1)[N@@H+]([C@H]1CC[NH2+][C@@H](C)C1)C2 ZINC001246878308 988641564 /nfs/dbraw/zinc/64/15/64/988641564.db2.gz KKZJVXUZRTZEKF-CYDGBPFRSA-N 2 0 224.348 1.380 20 0 BDADRP CC[C@@]12C[C@@H](CO1)[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246882636 988648415 /nfs/dbraw/zinc/64/84/15/988648415.db2.gz ZLZANILJKAVGNK-AEBFUODCSA-N 2 0 236.359 1.523 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](C)N1[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246884727 988655796 /nfs/dbraw/zinc/65/57/96/988655796.db2.gz UZNMUFMDQZHACK-UPJWGTAASA-N 2 0 237.391 1.343 20 0 BDADRP CCN(CC[NH2+]C)[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246890714 988661337 /nfs/dbraw/zinc/66/13/37/988661337.db2.gz KVNGMMMKTXVKMY-KBPBESRZSA-N 2 0 239.407 1.450 20 0 BDADRP CCOC(=O)[C@H]1CCN([C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246892368 988666126 /nfs/dbraw/zinc/66/61/26/988666126.db2.gz BQSUOGBDOLUULM-SDDRHHMPSA-N 2 0 240.347 1.012 20 0 BDADRP CCC1([NH3+])CN(C2CCC3(CC[NH2+]C3)CC2)C1 ZINC001246896261 988671398 /nfs/dbraw/zinc/67/13/98/988671398.db2.gz WCPPWQMWVSEQBR-UHFFFAOYSA-N 2 0 237.391 1.332 20 0 BDADRP C[C@@H]1CC[C@@H](N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)C[NH2+]1 ZINC001246898397 988671678 /nfs/dbraw/zinc/67/16/78/988671678.db2.gz YMQNRWUWJDXHCG-AAVRWANBSA-N 2 0 237.391 1.010 20 0 BDADRP C[NH2+]CC[C@@H](C)[N@@H+]1CCc2ccc(N)cc2C1 ZINC001246904411 988683059 /nfs/dbraw/zinc/68/30/59/988683059.db2.gz FZSNNFPEBIKFRA-LLVKDONJSA-N 2 0 233.359 1.625 20 0 BDADRP CC(C)[N@H+](C)[C@H]1CCN([C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC001246907398 988692056 /nfs/dbraw/zinc/69/20/56/988692056.db2.gz FSWUGDJQRXPPTM-MCIONIFRSA-N 2 0 239.407 1.541 20 0 BDADRP CC(C)[N@H+](C)[C@@H]1CCN([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246910091 988692350 /nfs/dbraw/zinc/69/23/50/988692350.db2.gz JYHUGKYDTGTZHI-HZSPNIEDSA-N 2 0 239.407 1.541 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N1C[C@H]2C[NH2+]C[C@@H]21 ZINC001246915587 988708963 /nfs/dbraw/zinc/70/89/63/988708963.db2.gz GXJALRZKGKIXTC-XQQFMLRXSA-N 2 0 225.380 1.010 20 0 BDADRP CC[C@H]1CC([N@H+](C)CCO)C[C@H](CC)[NH2+]1 ZINC001246915949 988710288 /nfs/dbraw/zinc/71/02/88/988710288.db2.gz ZJRLMPSCWPUVLY-QWRGUYRKSA-N 2 0 214.353 1.220 20 0 BDADRP CC(C)(C)[C@@H]1C[C@H](N2C[C@@H]3C[NH2+][C@@H]3C2)CC[NH2+]1 ZINC001246916573 988712117 /nfs/dbraw/zinc/71/21/17/988712117.db2.gz IJJQUWNYESLKPC-LOWDOPEQSA-N 2 0 237.391 1.057 20 0 BDADRP CC(C)(C)[C@H]1C[C@H](N2CCC[C@@H]2C[NH3+])CC[NH2+]1 ZINC001246918177 988713779 /nfs/dbraw/zinc/71/37/79/988713779.db2.gz XCCJINDBJRFAEZ-JHJVBQTASA-N 2 0 239.407 1.576 20 0 BDADRP C[NH2+]CC[C@H](C)N(C)[C@]1(C)CCC[NH2+]C1 ZINC001246916836 988719602 /nfs/dbraw/zinc/71/96/02/988719602.db2.gz YAWOQFOJTBGVIJ-NWDGAFQWSA-N 2 0 213.369 1.058 20 0 BDADRP C1CC1[NH2+][C@H]1CCCN([C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246924171 988751599 /nfs/dbraw/zinc/75/15/99/988751599.db2.gz ZIKFQQAVVBYHFM-LJISPDSOSA-N 2 0 249.402 1.486 20 0 BDADRP CCCN([C@@H]1CC[NH2+]C1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246926006 988751939 /nfs/dbraw/zinc/75/19/39/988751939.db2.gz BISHBPVQOPKONW-JHJVBQTASA-N 2 0 225.380 1.201 20 0 BDADRP CCCC[C@@H]1CN([C@@H]2CC[C@@H](C)[NH2+]C2)CC[NH2+]1 ZINC001246925088 988754080 /nfs/dbraw/zinc/75/40/80/988754080.db2.gz LNAOPDRPKCMNSQ-MGPQQGTHSA-N 2 0 239.407 1.591 20 0 BDADRP CCC[C@@H]1C[NH2+]CCN1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246932828 988763668 /nfs/dbraw/zinc/76/36/68/988763668.db2.gz SBFMEAPAOLKDJE-JHJVBQTASA-N 2 0 225.380 1.201 20 0 BDADRP C[NH2+]C[C@H]1CCCN1C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246938933 988766895 /nfs/dbraw/zinc/76/68/95/988766895.db2.gz PSHFAZMYWDDFBN-SDDRHHMPSA-N 2 0 225.380 1.199 20 0 BDADRP CCCN(CCC[NH+](C)C)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246937901 988771246 /nfs/dbraw/zinc/77/12/46/988771246.db2.gz CVXRVYOPVHTCPJ-ZIAGYGMSSA-N 2 0 241.423 1.791 20 0 BDADRP CCC[NH+]1C[C@@H]2CN(C3CC[NH2+]CC3)C[C@H]2C1 ZINC001246940089 988775946 /nfs/dbraw/zinc/77/59/46/988775946.db2.gz IDDCERKFGRMGPV-CHWSQXEVSA-N 2 0 237.391 1.012 20 0 BDADRP C1C[C@]2(C[NH2+]1)CCC[C@H]([N@@H+]1C[C@@H]3CC[C@H]1CN3)C2 ZINC001246946088 988782059 /nfs/dbraw/zinc/78/20/59/988782059.db2.gz ZUEFBUOHPZSCMD-ZQDZILKHSA-N 2 0 249.402 1.345 20 0 BDADRP C[NH2+]CC[C@@H](C)N(CC(C)C)[C@@H]1CCC[NH2+]C1 ZINC001246953105 988787116 /nfs/dbraw/zinc/78/71/16/988787116.db2.gz PWISIFRJYKHONC-ZIAGYGMSSA-N 2 0 241.423 1.694 20 0 BDADRP C[C@@H]1CN([C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[C@@H](C)[NH2+]1 ZINC001246968299 988790802 /nfs/dbraw/zinc/79/08/02/988790802.db2.gz KEWKSLCYQLQHMU-POQQGIQPSA-N 2 0 237.391 1.342 20 0 BDADRP CC(C)N([C@@H]1CC[NH2+]C1)[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246966047 988791492 /nfs/dbraw/zinc/79/14/92/988791492.db2.gz JKTCVWFJHGIQNH-XJFOESAGSA-N 2 0 239.407 1.588 20 0 BDADRP C[NH2+]CC[C@H](C)N(C1CCC1)C1CC[NH2+]CC1 ZINC001246971946 988798125 /nfs/dbraw/zinc/79/81/25/988798125.db2.gz AYOFFTFWUIUKGR-LBPRGKRZSA-N 2 0 239.407 1.591 20 0 BDADRP CC1(C)C[C@@H](N(C2CC2)[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC001246969791 988801581 /nfs/dbraw/zinc/80/15/81/988801581.db2.gz XGHMMUZLLMABGX-QWHCGFSZSA-N 2 0 237.391 1.343 20 0 BDADRP CC[C@H]([NH3+])CN(C)[C@@H]1CCC[N@H+](C)CC1 ZINC001246974805 988803146 /nfs/dbraw/zinc/80/31/46/988803146.db2.gz RFGMFUGZESWZIX-NWDGAFQWSA-N 2 0 213.369 1.140 20 0 BDADRP CC(C)N([C@H]1CC[NH2+]C1)[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246974178 988804018 /nfs/dbraw/zinc/80/40/18/988804018.db2.gz QDZLSQORVZXDHI-AVGNSLFASA-N 2 0 225.380 1.199 20 0 BDADRP CCCN(C[C@@H]1CC[NH2+]C1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246976476 988806521 /nfs/dbraw/zinc/80/65/21/988806521.db2.gz QQFJMVGSLABXJS-MCIONIFRSA-N 2 0 239.407 1.448 20 0 BDADRP CC[C@H]1C[C@H](N(C(C)C)[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC001246976017 988806942 /nfs/dbraw/zinc/80/69/42/988806942.db2.gz VBIIGPWBKCAARX-MJBXVCDLSA-N 2 0 239.407 1.589 20 0 BDADRP CC[NH+]1C[C@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]2C1 ZINC001246981481 988810691 /nfs/dbraw/zinc/81/06/91/988810691.db2.gz WYJYSUABUMRQQP-JZAZDWQXSA-N 3 0 249.402 1.153 20 0 BDADRP CCCC[C@H]1C[C@H](N(C)C[C@H](C)[NH3+])CC[NH2+]1 ZINC001246980370 988811881 /nfs/dbraw/zinc/81/18/81/988811881.db2.gz HNZQJEAQWVSBAU-RWMBFGLXSA-N 2 0 227.396 1.576 20 0 BDADRP CCCN(C[C@@H]1CC[NH2+]C1)[C@H]1C[NH2+][C@H](C)C1 ZINC001246977135 988812165 /nfs/dbraw/zinc/81/21/65/988812165.db2.gz RVOKIGOEBBVCAL-JHJVBQTASA-N 2 0 225.380 1.058 20 0 BDADRP C1=C2[NH2+]CCN([C@H]3CCC[NH2+]CC3)[C@@H]2CCC1 ZINC001246991788 988824018 /nfs/dbraw/zinc/82/40/18/988824018.db2.gz BXILAIFYMRCFRO-GXTWGEPZSA-N 2 0 235.375 1.470 20 0 BDADRP C[C@H]1C[C@H](N2CC(F)(F)CC[C@@H]2C[NH3+])CC[NH2+]1 ZINC001246993792 988824791 /nfs/dbraw/zinc/82/47/91/988824791.db2.gz UFWMPHJDQVXQRG-HBNTYKKESA-N 2 0 247.333 1.185 20 0 BDADRP [NH3+]C[C@H]1CCC(F)(F)CN1[C@@H]1CCCC[NH2+]C1 ZINC001246992087 988825164 /nfs/dbraw/zinc/82/51/64/988825164.db2.gz MKWAIRPIRVKYSV-GHMZBOCLSA-N 2 0 247.333 1.187 20 0 BDADRP CC1(C)CO[C@@H](C[NH2+]C2CCC(C[NH3+])CC2)C1 ZINC001119090529 988832562 /nfs/dbraw/zinc/83/25/62/988832562.db2.gz FGIHZPHRMHXPRF-WXRRBKDZSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@H]1C[C@H](N2CC[C@@H]3[NH2+]CCC[C@H]3C2)CC[NH2+]1 ZINC001247016369 988844676 /nfs/dbraw/zinc/84/46/76/988844676.db2.gz ULQSAIQAEUANAC-FQUUOJAGSA-N 2 0 237.391 1.201 20 0 BDADRP COc1cc(C[NH2+]C[C@H](C)C[NH3+])ccc1F ZINC001325273728 989138678 /nfs/dbraw/zinc/13/86/78/989138678.db2.gz SUJUFAKBALJTDA-SECBINFHSA-N 2 0 226.295 1.519 20 0 BDADRP C[NH2+][C@@H](C)CC[NH2+]Cc1cccc2c[nH]nc21 ZINC001325625250 989219976 /nfs/dbraw/zinc/21/99/76/989219976.db2.gz JLMCVSWWPIFELE-JTQLQIEISA-N 2 0 232.331 1.651 20 0 BDADRP C[C@@H]1C[N@H+](CCOCC2CC2)CC[C@@H]1C[NH3+] ZINC001119617604 989244297 /nfs/dbraw/zinc/24/42/97/989244297.db2.gz RQYCABCLNZTJKD-DGCLKSJQSA-N 2 0 226.364 1.330 20 0 BDADRP C[C@@H]1COC[C@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC001119632164 989265800 /nfs/dbraw/zinc/26/58/00/989265800.db2.gz NQBVRNRPVQCDLM-HBIQZDMRSA-N 2 0 212.337 1.128 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC001119631950 989268468 /nfs/dbraw/zinc/26/84/68/989268468.db2.gz JADZWEXBMOPVLA-MGPQQGTHSA-N 2 0 248.374 1.393 20 0 BDADRP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)CCCOC ZINC001326037130 989337069 /nfs/dbraw/zinc/33/70/69/989337069.db2.gz VYFIFCPVVYESFY-QWRGUYRKSA-N 2 0 202.342 1.389 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C/C=C/C1CC1 ZINC001119705794 989351902 /nfs/dbraw/zinc/35/19/02/989351902.db2.gz ZDQLTUUXPJQURK-ALDRUPGHSA-N 2 0 220.360 1.882 20 0 BDADRP CC(=O)OC[C@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC001119952719 989506075 /nfs/dbraw/zinc/50/60/75/989506075.db2.gz CXVBKDWIZFAHDV-NSHDSACASA-N 2 0 228.336 1.014 20 0 BDADRP C[C@@H](CNc1cc[nH+]cc1CO)C[NH+]1CCCC1 ZINC001120015066 989562844 /nfs/dbraw/zinc/56/28/44/989562844.db2.gz XEGSVQRTERSFAW-LBPRGKRZSA-N 2 0 249.358 1.140 20 0 BDADRP COc1cc(C[NH2+][C@H]2C[C@H]([NH3+])C2)ccc1F ZINC001120386770 989649639 /nfs/dbraw/zinc/64/96/39/989649639.db2.gz GONKYVWYBCSCFB-MGCOHNPYSA-N 2 0 224.279 1.414 20 0 BDADRP CC[N@H+](CCNC(=O)CCCC[NH2+]C)C(C)C ZINC001521468948 989713163 /nfs/dbraw/zinc/71/31/63/989713163.db2.gz AWGGWJORAMYCOW-UHFFFAOYSA-N 2 0 243.395 1.223 20 0 BDADRP C[NH2+]CCCCC(=O)N1CCCC[C@H]1CC[NH3+] ZINC001521541336 989738635 /nfs/dbraw/zinc/73/86/35/989738635.db2.gz VZBDOMIPSAPZBP-LBPRGKRZSA-N 2 0 241.379 1.106 20 0 BDADRP CC(C)([NH3+])CCC(=O)Nc1cccc2c1C[NH2+]C2 ZINC001522497640 989858752 /nfs/dbraw/zinc/85/87/52/989858752.db2.gz YKFOBQHVOBWRGR-UHFFFAOYSA-N 2 0 247.342 1.746 20 0 BDADRP C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)CCCCC[NH3+] ZINC001522823484 989878131 /nfs/dbraw/zinc/87/81/31/989878131.db2.gz BWJJQVPEHQKYKW-WOPDTQHZSA-N 2 0 241.379 1.103 20 0 BDADRP [NH3+]Cc1ccccc1NC(=O)C1=CC[C@H]([NH3+])C1 ZINC001523617911 989942929 /nfs/dbraw/zinc/94/29/29/989942929.db2.gz YDECLLNNXPWYNT-NSHDSACASA-N 2 0 231.299 1.131 20 0 BDADRP [NH3+]Cc1ccccc1NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC001523617910 989943234 /nfs/dbraw/zinc/94/32/34/989943234.db2.gz YDECLLNNXPWYNT-LLVKDONJSA-N 2 0 231.299 1.131 20 0 BDADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC001121985969 990167228 /nfs/dbraw/zinc/16/72/28/990167228.db2.gz FEFOFXYIDJMSSF-DCAQKATOSA-N 2 0 243.395 1.240 20 0 BDADRP C[NH2+]C1CC(C(=O)Nc2cc(C)cc(C[NH3+])c2)C1 ZINC001122081116 990227986 /nfs/dbraw/zinc/22/79/86/990227986.db2.gz MFMFQEPIYGEHMW-UHFFFAOYSA-N 2 0 247.342 1.390 20 0 BDADRP CC[C@@H](C)C[C@H]([NH3+])C(=O)NCC1([NH3+])CCCC1 ZINC001122143801 990262473 /nfs/dbraw/zinc/26/24/73/990262473.db2.gz QGKVCZWWFTXOPV-MNOVXSKESA-N 2 0 241.379 1.138 20 0 BDADRP CC(C)CNc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001308357519 990972590 /nfs/dbraw/zinc/97/25/90/990972590.db2.gz IUUCAPJWOZDLQC-UHFFFAOYSA-N 2 0 248.374 1.901 20 0 BDADRP C[C@H](C[NH3+])C[N@H+](C)[C@H](C)Cc1ccco1 ZINC001258181296 991085007 /nfs/dbraw/zinc/08/50/07/991085007.db2.gz MKNWUJUCMDNPSY-GHMZBOCLSA-N 2 0 210.321 1.737 20 0 BDADRP COC(=O)[C@@H](C[NH3+])C[NH2+]C1CCCCCCC1 ZINC001258234306 991171016 /nfs/dbraw/zinc/17/10/16/991171016.db2.gz RELDQXKMLGBXFA-NSHDSACASA-N 2 0 242.363 1.437 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12)[C@H]1CCCO1 ZINC001308984903 991252678 /nfs/dbraw/zinc/25/26/78/991252678.db2.gz QFHXKHLBJGQZKT-RYMFRWLXSA-N 2 0 238.375 1.484 20 0 BDADRP CC[N@H+]1C[C@H]2CN(Cc3ccc(=O)[nH]c3)C[C@H]2C1 ZINC001139470331 991259471 /nfs/dbraw/zinc/25/94/71/991259471.db2.gz QEBDBVYXYLXXIW-BETUJISGSA-N 2 0 247.342 1.171 20 0 BDADRP COC(=O)CC[C@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC001258357450 991295063 /nfs/dbraw/zinc/29/50/63/991295063.db2.gz HLJFMKDOERWAOC-DCAQKATOSA-N 2 0 228.336 1.188 20 0 BDADRP [NH3+]Cc1ccccc1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001340148350 991304045 /nfs/dbraw/zinc/30/40/45/991304045.db2.gz SJQGOWHBVMYGHU-VXGBXAGGSA-N 2 0 247.342 1.145 20 0 BDADRP C[C@@H](CC1CC1)N(CCC[NH3+])CCC[NH+](C)C ZINC001258451293 991399193 /nfs/dbraw/zinc/39/91/93/991399193.db2.gz IVMDDXMCYQMCMY-ZDUSSCGKSA-N 2 0 241.423 1.778 20 0 BDADRP CC[NH+](CC)CCNC(=[NH2+])N[C@H](C)CC1CC1 ZINC001258458590 991415718 /nfs/dbraw/zinc/41/57/18/991415718.db2.gz VHRNLOKKTRAPLK-LLVKDONJSA-N 2 0 240.395 1.631 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CCSCC3)[C@@H]2C1 ZINC001560623513 991524020 /nfs/dbraw/zinc/52/40/20/991524020.db2.gz ZPRGEOYSTALLFM-CYZMBNFOSA-N 2 0 240.416 1.812 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@H](C)Cc1cccnc1 ZINC001258615413 991542626 /nfs/dbraw/zinc/54/26/26/991542626.db2.gz IDHKWBDFMNXZQD-GHMZBOCLSA-N 2 0 207.321 1.197 20 0 BDADRP CCCCC[C@H](CCC)[NH2+]C[C@@H](O)C[NH3+] ZINC001258661517 991563207 /nfs/dbraw/zinc/56/32/07/991563207.db2.gz GOVKQQCZPDBGMK-RYUDHWBXSA-N 2 0 216.369 1.645 20 0 BDADRP CC[C@@H](C(=O)N(C)CC[NH2+]CC(C)C)[NH+](C)C ZINC001317653182 991572290 /nfs/dbraw/zinc/57/22/90/991572290.db2.gz FGLUBSUUYZXCBS-LBPRGKRZSA-N 2 0 243.395 1.031 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+][C@@H]2CCCN(CC)C2)C1 ZINC001560921555 991653925 /nfs/dbraw/zinc/65/39/25/991653925.db2.gz PSHKDPODQNWGDJ-JHJVBQTASA-N 2 0 226.364 1.628 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)CC1 ZINC001561021936 991690880 /nfs/dbraw/zinc/69/08/80/991690880.db2.gz BWHOJGQMMOXZBO-YPMHNXCESA-N 2 0 226.364 1.031 20 0 BDADRP CCCC[C@H](CCC)[NH+]1CCN(CC[NH3+])CC1 ZINC001258754976 991695908 /nfs/dbraw/zinc/69/59/08/991695908.db2.gz ARIMISAAMRAKKX-AWEZNQCLSA-N 2 0 241.423 1.922 20 0 BDADRP CCC[NH+]1CCC(n2ccc(C[NH3+])n2)CC1 ZINC001258764862 991727320 /nfs/dbraw/zinc/72/73/20/991727320.db2.gz QDNOMHYRECDMOT-UHFFFAOYSA-N 2 0 222.336 1.389 20 0 BDADRP CC[C@@H](C)C[C@@H](CC)[NH+]1CCN(CC[NH3+])CC1 ZINC001258780721 991749409 /nfs/dbraw/zinc/74/94/09/991749409.db2.gz PZNZDVZNMOFXJL-ZIAGYGMSSA-N 2 0 241.423 1.778 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]CCN1CCC1 ZINC001258903141 991893053 /nfs/dbraw/zinc/89/30/53/991893053.db2.gz LCUYYWHFQVKIRU-CQSZACIVSA-N 2 0 241.423 1.792 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC001258907039 991896905 /nfs/dbraw/zinc/89/69/05/991896905.db2.gz DIJXSAWTJPOAJJ-MELADBBJSA-N 2 0 242.407 1.810 20 0 BDADRP CC[N@@H+]1CCC[C@H](CN[C@H]2C[NH+](C)C[C@H]2C)C1 ZINC001319751995 991959558 /nfs/dbraw/zinc/95/95/58/991959558.db2.gz QFMAKHOOUNFWMF-MCIONIFRSA-N 2 0 239.407 1.258 20 0 BDADRP CC[N@@H+]1CCC[C@H](CN[C@@H]2C[NH+](C)C[C@@H]2C)C1 ZINC001319751994 991964106 /nfs/dbraw/zinc/96/41/06/991964106.db2.gz QFMAKHOOUNFWMF-BFHYXJOUSA-N 2 0 239.407 1.258 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12)[C@@H]1CC1(F)F ZINC001474757333 992528937 /nfs/dbraw/zinc/52/89/37/992528937.db2.gz UVXAZTYAPGTOLK-MTVMDMGHSA-N 2 0 244.329 1.960 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)CO1 ZINC001474757324 992529494 /nfs/dbraw/zinc/52/94/94/992529494.db2.gz UVJYTIDRWGXOPP-UJPOAAIJSA-N 2 0 224.348 1.094 20 0 BDADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)[C@H](C)O)CC1 ZINC001261891290 992566300 /nfs/dbraw/zinc/56/63/00/992566300.db2.gz DGSCSHPXIVFCMN-OLZOCXBDSA-N 2 0 242.407 1.856 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)c1 ZINC001261892561 992568206 /nfs/dbraw/zinc/56/82/06/992568206.db2.gz PJLHQXXVHAUZDZ-WCFLWFBJSA-N 2 0 245.326 1.000 20 0 BDADRP COC1(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)CCC1 ZINC001262012190 992599100 /nfs/dbraw/zinc/59/91/00/992599100.db2.gz NYELIDKHUZHIKJ-QWHCGFSZSA-N 2 0 238.375 1.582 20 0 BDADRP Nc1ccnc(C[NH2+]C2CCC(C[NH3+])CC2)c1 ZINC001262201143 992795608 /nfs/dbraw/zinc/79/56/08/992795608.db2.gz OVKAGXIPNYGZQN-UHFFFAOYSA-N 2 0 234.347 1.271 20 0 BDADRP C([N@@H+]1CC[C@H]2C[NH2+]C[C@H]21)C12CCC(CC1)C2 ZINC001574795802 992910643 /nfs/dbraw/zinc/91/06/43/992910643.db2.gz PZUMMHAAOFKCTB-YIFLHPOLSA-N 2 0 220.360 1.860 20 0 BDADRP C([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)[C@H]1CC[NH2+]1 ZINC001574796587 992911422 /nfs/dbraw/zinc/91/14/22/992911422.db2.gz YHOXXUPXIDMDAK-XQHKEYJVSA-N 2 0 236.359 1.286 20 0 BDADRP C([NH2+][C@H]1C[C@@H]2CCC[C@@H]21)[C@@H]1C[NH2+]CCCO1 ZINC001574801066 992913989 /nfs/dbraw/zinc/91/39/89/992913989.db2.gz NBVIHPHLCCYPEG-CYDGBPFRSA-N 2 0 224.348 1.143 20 0 BDADRP C([C@@H]1CCSC1)[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001574817103 992922537 /nfs/dbraw/zinc/92/25/37/992922537.db2.gz RBEIZCVXEMCOCY-TUAOUCFPSA-N 2 0 226.389 1.281 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])C[NH2+]CCOCCF ZINC001575130292 992994148 /nfs/dbraw/zinc/99/41/48/992994148.db2.gz JBUNBOGASVKCSE-LLVKDONJSA-N 2 0 234.359 1.716 20 0 BDADRP CC(C)(C)N1CC[C@@H]1C[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001575141718 992998513 /nfs/dbraw/zinc/99/85/13/992998513.db2.gz YKTKEMSOIZHIBA-BEVNXUHPSA-N 2 0 237.391 1.329 20 0 BDADRP CC(C)(C)OC(=O)[C@H]1C[C@@H]([NH2+]C2CC([NH3+])C2)C1 ZINC001575241444 993000501 /nfs/dbraw/zinc/00/05/01/993000501.db2.gz IJWVWPYMSHGNBI-NGXUNHMNSA-N 2 0 240.347 1.186 20 0 BDADRP CC(C)(C[NH3+])C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC001575315204 993010713 /nfs/dbraw/zinc/01/07/13/993010713.db2.gz LTYJAMWCVRVOFW-MNOVXSKESA-N 2 0 212.337 1.128 20 0 BDADRP CC(C)(C[NH3+])C[NH2+]CCCCC[NH+]1CCCC1 ZINC001575315153 993011052 /nfs/dbraw/zinc/01/10/52/993011052.db2.gz JZSHWXVYZCDEJS-UHFFFAOYSA-N 3 0 241.423 1.827 20 0 BDADRP C1=CC[NH+]([C@@H]2CCN(c3cc[nH+]cc3)C2)C1 ZINC001262671436 993014276 /nfs/dbraw/zinc/01/42/76/993014276.db2.gz DQDWJRYWNYCGCQ-CYBMUJFWSA-N 2 0 215.300 1.532 20 0 BDADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1Nc1cc[nH+]cc1 ZINC001262686405 993027097 /nfs/dbraw/zinc/02/70/97/993027097.db2.gz IVPZJJQCKCSVPF-GXFFZTMASA-N 2 0 217.316 1.398 20 0 BDADRP CC(C)(O)C(C)(C)C[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001575378560 993027455 /nfs/dbraw/zinc/02/74/55/993027455.db2.gz NZNWMPZGYDDFQJ-RUETXSTFSA-N 2 0 226.364 1.253 20 0 BDADRP CC(C)[C@H](C[NH3+])C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001575422869 993039815 /nfs/dbraw/zinc/03/98/15/993039815.db2.gz NSWVZKFVWTVERJ-REWJHTLYSA-N 3 0 239.407 1.147 20 0 BDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCC[C@@H]1CCO1 ZINC001575453932 993046508 /nfs/dbraw/zinc/04/65/08/993046508.db2.gz XPHKLHDWOYFACY-CHWSQXEVSA-N 2 0 228.380 1.861 20 0 BDADRP CC(C)[C@H](O)CC[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC001575471552 993050480 /nfs/dbraw/zinc/05/04/80/993050480.db2.gz JOAMPCXKCQHWSP-IJLUTSLNSA-N 2 0 214.353 1.110 20 0 BDADRP CC(C)[C@H](O)CC[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC001575473613 993053628 /nfs/dbraw/zinc/05/36/28/993053628.db2.gz VNXYIORVCIEOFY-JHJVBQTASA-N 2 0 228.380 1.310 20 0 BDADRP CC(C)C1(O)CC[NH+](C[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC001575495876 993057474 /nfs/dbraw/zinc/05/74/74/993057474.db2.gz FSYBBBHTPSBWEJ-QWHCGFSZSA-N 2 0 240.391 1.597 20 0 BDADRP CC(C)[C@H]1C[C@@H]([NH2+][C@H]2C[C@H]([NH3+])C2)CCO1 ZINC001575497664 993059512 /nfs/dbraw/zinc/05/95/12/993059512.db2.gz GCGPTAKFVQPYGX-FIQHERPVSA-N 2 0 212.337 1.269 20 0 BDADRP CC(C)C[C@@H](C[NH+](C)C)NC[C@@]1(C)CC[NH2+]C1 ZINC001575618296 993086677 /nfs/dbraw/zinc/08/66/77/993086677.db2.gz DGPNVFMHJGSFLE-KBPBESRZSA-N 2 0 241.423 1.552 20 0 BDADRP CC(C)C[C@@H](CO)[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC001575618259 993086765 /nfs/dbraw/zinc/08/67/65/993086765.db2.gz BVECIAUFGMRPDE-HBNTYKKESA-N 2 0 214.353 1.109 20 0 BDADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[NH2+][C@H]2C[C@H]21 ZINC001575699298 993097507 /nfs/dbraw/zinc/09/75/07/993097507.db2.gz DJRVDCKPRPRKQR-HZSPNIEDSA-N 2 0 237.391 1.295 20 0 BDADRP CC(C)[NH2+]CCCNC(=O)[C@H](C)CC[NH+](C)C ZINC001575730195 993102158 /nfs/dbraw/zinc/10/21/58/993102158.db2.gz ARROXSZSLOCVNE-GFCCVEGCSA-N 2 0 243.395 1.079 20 0 BDADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC001263107156 993118674 /nfs/dbraw/zinc/11/86/74/993118674.db2.gz PGBFAMSSXDYJFE-USZNOCQGSA-N 2 0 241.379 1.007 20 0 BDADRP C[C@@H](CC(=O)Nc1ccccc1)[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC001575920797 993127045 /nfs/dbraw/zinc/12/70/45/993127045.db2.gz BGZQUYXGTDLSBL-GVXVVHGQSA-N 2 0 247.342 1.483 20 0 BDADRP C[C@H](CC(C)(C)O)[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001575932096 993128415 /nfs/dbraw/zinc/12/84/15/993128415.db2.gz OEINLWDMHZOALT-DKZWSVDFSA-N 2 0 212.337 1.005 20 0 BDADRP C[C@H](CC(C)(C)O)[NH2+]CCC1([NH3+])CCOCC1 ZINC001575930576 993129155 /nfs/dbraw/zinc/12/91/55/993129155.db2.gz DLYYBJSSDIURBC-LLVKDONJSA-N 2 0 244.379 1.024 20 0 BDADRP C[C@@H](CC1CCOCC1)[NH2+][C@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001575940837 993133075 /nfs/dbraw/zinc/13/30/75/993133075.db2.gz CAYOQHYQISWTAA-GHYVTOPFSA-N 2 0 238.375 1.674 20 0 BDADRP C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001575940904 993134055 /nfs/dbraw/zinc/13/40/55/993134055.db2.gz DONCFPUMJUUTNP-RXGFPQBGSA-N 2 0 224.348 1.284 20 0 BDADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@H](C)CC[NH+](C)C ZINC001575951945 993136637 /nfs/dbraw/zinc/13/66/37/993136637.db2.gz AISZGYGAFSIINT-DGCLKSJQSA-N 2 0 243.395 1.064 20 0 BDADRP C[C@@H](COCC1CC1)[NH2+]C[C@@H]([NH3+])CC(F)F ZINC001576038969 993164327 /nfs/dbraw/zinc/16/43/27/993164327.db2.gz APJJETIVRCMSPB-WPRPVWTQSA-N 2 0 236.306 1.374 20 0 BDADRP C[C@@H](Cc1ccccc1F)[NH2+][C@H]1C[C@@H]([NH3+])C1 ZINC001576057817 993167109 /nfs/dbraw/zinc/16/71/09/993167109.db2.gz SLOWPCHLHJLUDH-ZMLRMANQSA-N 2 0 222.307 1.836 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)[C@H]1COC(C)(C)O1 ZINC001576153276 993191966 /nfs/dbraw/zinc/19/19/66/993191966.db2.gz RKPLSSNWHAXUEN-XWLWVQCSSA-N 2 0 230.352 1.242 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C)[C@H]1COC(C)(C)O1 ZINC001576153277 993192822 /nfs/dbraw/zinc/19/28/22/993192822.db2.gz RKPLSSNWHAXUEN-ZRUFSTJUSA-N 2 0 230.352 1.242 20 0 BDADRP C[C@H]([NH3+])CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001576153515 993193155 /nfs/dbraw/zinc/19/31/55/993193155.db2.gz VAUQVUPBYPNJMQ-NSHDSACASA-N 2 0 241.379 1.057 20 0 BDADRP COC(C)(C)CC[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC000378675954 993199038 /nfs/dbraw/zinc/19/90/38/993199038.db2.gz PCFGRGFAEHVXGW-LLVKDONJSA-N 2 0 214.353 1.615 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)[C@H]1CCCOC1 ZINC001576244159 993228071 /nfs/dbraw/zinc/22/80/71/993228071.db2.gz IBBBNCFDRLICSR-UPJWGTAASA-N 2 0 226.364 1.391 20 0 BDADRP C[C@H]([NH2+][C@]12CCC[C@H]1[NH2+]CC2)[C@H]1CCOC1 ZINC001576251597 993234107 /nfs/dbraw/zinc/23/41/07/993234107.db2.gz MJAXBSVLEMINRZ-RVMXOQNASA-N 2 0 224.348 1.286 20 0 BDADRP C[C@H]([C@H](C)O)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC001576264397 993240303 /nfs/dbraw/zinc/24/03/03/993240303.db2.gz JZGVUHVZOVBZIG-NTZNESFSSA-N 2 0 226.364 1.077 20 0 BDADRP CC(C)C[NH+]1CCC([NH2+]CC2CN(C)C2)CC1 ZINC000379480282 993250342 /nfs/dbraw/zinc/25/03/42/993250342.db2.gz SYDFXWWYQVFIDG-UHFFFAOYSA-N 2 0 239.407 1.258 20 0 BDADRP C[C@@H](c1cccnc1)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001576313211 993259249 /nfs/dbraw/zinc/25/92/49/993259249.db2.gz AGLAHUOIDCKZOI-FTYKPCCVSA-N 2 0 217.316 1.292 20 0 BDADRP C[C@]1(C(=O)Nc2ccc3c[nH+]cn3c2)CC[NH2+]C1 ZINC001576356522 993274483 /nfs/dbraw/zinc/27/44/83/993274483.db2.gz OMVDPFSSVGSJSZ-ZDUSSCGKSA-N 2 0 244.298 1.272 20 0 BDADRP C[N@@H+]1CC[C@@H](Oc2cccc(C[NH3+])c2)C1 ZINC000379802500 993280688 /nfs/dbraw/zinc/28/06/88/993280688.db2.gz KUAKXKOXGLLNIE-GFCCVEGCSA-N 2 0 206.289 1.228 20 0 BDADRP CC1(C)[C@H]([NH2+]C[C@@H](O)Cc2ccccc2)C[C@@H]1[NH3+] ZINC001576380523 993286448 /nfs/dbraw/zinc/28/64/48/993286448.db2.gz TWUWCNWXICBORD-MELADBBJSA-N 2 0 248.370 1.305 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC001576379912 993288420 /nfs/dbraw/zinc/28/84/20/993288420.db2.gz CAMRNPVRZPXBPV-IRCOFANPSA-N 2 0 226.364 1.253 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC001576379981 993288464 /nfs/dbraw/zinc/28/84/64/993288464.db2.gz FASXYSHKZGBKQC-WUHRBBMRSA-N 2 0 240.391 1.643 20 0 BDADRP CC1(C)C[C@@H](O)C[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001576395108 993295688 /nfs/dbraw/zinc/29/56/88/993295688.db2.gz XVXBCHYKXDKOPO-QJPTWQEYSA-N 2 0 226.364 1.207 20 0 BDADRP [NH3+]C[C@@H]1CCCC[N@@H+]([C@H]2CCCSC2)C1 ZINC000379936048 993300016 /nfs/dbraw/zinc/30/00/16/993300016.db2.gz XIHSAGLUKUFPAT-RYUDHWBXSA-N 2 0 228.405 1.943 20 0 BDADRP CC1(C)C[NH2+][C@H]1C(=O)Nc1ccc2c[nH+]cn2c1 ZINC001576468656 993313620 /nfs/dbraw/zinc/31/36/20/993313620.db2.gz ASSDJWXDKJKXLW-NSHDSACASA-N 2 0 244.298 1.271 20 0 BDADRP C[C@]1(CN2CCC[C@H]([NH3+])C2)CCCCO1 ZINC001576503649 993324469 /nfs/dbraw/zinc/32/44/69/993324469.db2.gz UNDLASACFVSSAU-NWDGAFQWSA-N 2 0 212.337 1.369 20 0 BDADRP C[C@]1(C[NH2+]CC23CC(C2)C[NH2+]3)CCCC[C@@H]1O ZINC001576518585 993327839 /nfs/dbraw/zinc/32/78/39/993327839.db2.gz ARMAGBGFMCBCFX-YIFLHPOLSA-N 2 0 238.375 1.269 20 0 BDADRP C[C@@]1(CO)CCC[N@@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC001576525833 993329390 /nfs/dbraw/zinc/32/93/90/993329390.db2.gz ITDNAVDURJHDFI-OLZOCXBDSA-N 2 0 226.364 1.223 20 0 BDADRP C[C@]1(C[NH2+]C[C@H]2C[C@H]([NH3+])C2)CCCCO1 ZINC001576526288 993330145 /nfs/dbraw/zinc/33/01/45/993330145.db2.gz QJMCCQLTRBPHCO-IJLUTSLNSA-N 2 0 212.337 1.273 20 0 BDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC12CC(C)(C1)OC2 ZINC001576552831 993342601 /nfs/dbraw/zinc/34/26/01/993342601.db2.gz DZKBXYXTVCDKCR-WPMGSTCASA-N 2 0 224.348 1.271 20 0 BDADRP C[C@H]1[C@H](CO)CCC[N@@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576573618 993349764 /nfs/dbraw/zinc/34/97/64/993349764.db2.gz SRJRBWFCJSGPEC-ZDEQEGDKSA-N 2 0 226.364 1.207 20 0 BDADRP C[C@H]1C[C@@H](CO)C[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001576596865 993361448 /nfs/dbraw/zinc/36/14/48/993361448.db2.gz BEFKNWCDHXYQAJ-WUHRBBMRSA-N 2 0 226.364 1.064 20 0 BDADRP CC[NH+](CC)C[C@H](O)C[N@H+](C)CC1CCC1 ZINC000381034161 993364689 /nfs/dbraw/zinc/36/46/89/993364689.db2.gz DWPNMDLAXPXXPY-CYBMUJFWSA-N 2 0 228.380 1.421 20 0 BDADRP CC[NH+](CC)C[C@@H](O)C[N@H+](C)CC(C)(C)C ZINC000381059010 993366223 /nfs/dbraw/zinc/36/62/23/993366223.db2.gz KJFZXWUSMQRNNM-LBPRGKRZSA-N 2 0 230.396 1.667 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC[C@H]([NH3+])Cc2ccccc2)CO1 ZINC001576622107 993373186 /nfs/dbraw/zinc/37/31/86/993373186.db2.gz AIRNNVRNZYDDMR-SNPRPXQTSA-N 2 0 248.370 1.714 20 0 BDADRP C[C@H](Cc1ccno1)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC001576625570 993375663 /nfs/dbraw/zinc/37/56/63/993375663.db2.gz ZUAKFEAJVNJVRI-GMTAPVOTSA-N 2 0 223.320 1.336 20 0 BDADRP COC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C(C)C)C[C@H]1C ZINC000381323903 993386177 /nfs/dbraw/zinc/38/61/77/993386177.db2.gz QBRFFFWPUSBYNZ-FRRDWIJNSA-N 2 0 228.380 1.730 20 0 BDADRP C[C@H]1CCC[C@@]1(O)C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001576679216 993391914 /nfs/dbraw/zinc/39/19/14/993391914.db2.gz AUQLHYCKMUAGJX-YNEHKIRRSA-N 2 0 226.364 1.127 20 0 BDADRP C[C@H]1CCC[C@H]1C[NH2+]Cc1c(C[NH3+])cnn1C ZINC001576681812 993393833 /nfs/dbraw/zinc/39/38/33/993393833.db2.gz OCEJEORXRKYEFM-QWRGUYRKSA-N 2 0 236.363 1.405 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CCCC[NH2+]C2)C[C@]1(C)CO ZINC001576800573 993427359 /nfs/dbraw/zinc/42/73/59/993427359.db2.gz KHOQLFUDCWQQGV-HZSPNIEDSA-N 2 0 240.391 1.326 20 0 BDADRP C[C@@H]1CSC[C@@H]1[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001576861652 993431678 /nfs/dbraw/zinc/43/16/78/993431678.db2.gz RDYNZLLMXSWEJQ-CZYMUQTESA-N 2 0 212.362 1.207 20 0 BDADRP C[C@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001576852134 993433582 /nfs/dbraw/zinc/43/35/82/993433582.db2.gz BFGNNOXVZOGBKK-TUAOUCFPSA-N 2 0 212.337 1.001 20 0 BDADRP C[C@H]1CSC[C@H]1[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC001576860901 993438355 /nfs/dbraw/zinc/43/83/55/993438355.db2.gz NUWYKIWHBJLGPZ-WRWGMCAJSA-N 2 0 228.405 1.573 20 0 BDADRP C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1C[C@H]1CCC[N@@H+]1C ZINC001576880932 993441417 /nfs/dbraw/zinc/44/14/17/993441417.db2.gz JINGOSIPRBEJIL-MROQNXINSA-N 2 0 225.380 1.151 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+]C[C@H]1CCC[NH2+]CC1 ZINC001576903074 993450290 /nfs/dbraw/zinc/45/02/90/993450290.db2.gz FMSOKLQESBKQCK-SRVKXCTJSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H]1OCC[C@H]1C[N@@H+]1C2CCC1(C[NH3+])CC2 ZINC001576904243 993451454 /nfs/dbraw/zinc/45/14/54/993451454.db2.gz SSUTZNQPOVTHAN-IALDZJHCSA-N 2 0 224.348 1.367 20 0 BDADRP CC[C@@](C)(O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC001576959627 993467172 /nfs/dbraw/zinc/46/71/72/993467172.db2.gz HECOHDDBUZFRTI-GFCCVEGCSA-N 2 0 226.364 1.223 20 0 BDADRP CC[C@H](C)[C@H](C(=O)OC)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC001576966426 993468125 /nfs/dbraw/zinc/46/81/25/993468125.db2.gz IGWARFMTKWBBHM-IRCOFANPSA-N 2 0 242.363 1.243 20 0 BDADRP CC[C@@](C)(C[NH2+]CCC1(C[NH3+])CC1)OC ZINC001576950036 993468136 /nfs/dbraw/zinc/46/81/36/993468136.db2.gz YWXVVDHSAJJZFD-NSHDSACASA-N 2 0 214.353 1.520 20 0 BDADRP CC[C@@H](C)[C@H](C)[NH+]1CCC([NH3+])(CO)CC1 ZINC001576960043 993468242 /nfs/dbraw/zinc/46/82/42/993468242.db2.gz ARADCZCKTHZKTN-MNOVXSKESA-N 2 0 214.353 1.207 20 0 BDADRP CC[C@@H](C)[C@H](C[N@H+](C)CCC[NH2+]C)OC ZINC001576960473 993468251 /nfs/dbraw/zinc/46/82/51/993468251.db2.gz DVXJZADGRIWVGR-NEPJUHHUSA-N 2 0 216.369 1.589 20 0 BDADRP CC[C@H](C)C[C@H](CO)[NH2+]CC1(C[NH3+])CC1 ZINC001576972547 993478153 /nfs/dbraw/zinc/47/81/53/993478153.db2.gz WAVPFNSPJUDPLW-WDEREUQCSA-N 2 0 214.353 1.112 20 0 BDADRP CC[C@H](C[C@@H](C)CO)[NH2+]C[C@H](N)CC(F)F ZINC001577044133 993487470 /nfs/dbraw/zinc/48/74/70/993487470.db2.gz OZOBNUHEZSCTTA-OPRDCNLKSA-N 2 0 238.322 1.356 20 0 BDADRP CCC(CC)(C[NH3+])C[NH2+]CC1([S@@](C)=O)CC1 ZINC001577052606 993488777 /nfs/dbraw/zinc/48/87/77/993488777.db2.gz ZQLRFZBYEOSBTQ-MRXNPFEDSA-N 2 0 246.420 1.252 20 0 BDADRP CC[C@H](C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)C(=O)OC ZINC001577089857 993499758 /nfs/dbraw/zinc/49/97/58/993499758.db2.gz OGDHVHCOXIZQLS-VWYCJHECSA-N 2 0 240.347 1.045 20 0 BDADRP CC[C@H](Cc1ccccc1)[NH2+]C[C@]1(O)CC[NH2+]C1 ZINC001577096506 993502095 /nfs/dbraw/zinc/50/20/95/993502095.db2.gz PDYIBXPTLVVEKW-CABCVRRESA-N 2 0 248.370 1.322 20 0 BDADRP CC[C@H]([NH3+])C[NH2+]C[C@@]1(C)CCCCO1 ZINC001577124941 993516250 /nfs/dbraw/zinc/51/62/50/993516250.db2.gz YOBJTTRNUDFBBJ-WDEREUQCSA-N 2 0 200.326 1.273 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H](COC)CC1CCOCC1 ZINC001577124776 993516586 /nfs/dbraw/zinc/51/65/86/993516586.db2.gz QITGJECDDCFTAN-QWHCGFSZSA-N 2 0 244.379 1.145 20 0 BDADRP CC[C@H]([NH2+]CC(CC)(CC)C[NH3+])[C@H](C)O ZINC001577175931 993532305 /nfs/dbraw/zinc/53/23/05/993532305.db2.gz MWMZBDADFIEVHT-QWRGUYRKSA-N 2 0 216.369 1.501 20 0 BDADRP CC[C@H]([NH2+]C[C@H]([NH3+])CCOC)[C@H]1CCCCO1 ZINC001577176218 993533954 /nfs/dbraw/zinc/53/39/54/993533954.db2.gz WGFWGMXWRYPSHV-FRRDWIJNSA-N 2 0 244.379 1.288 20 0 BDADRP CC[C@H](O)C[N@@H+]1C[C@@H]2CCCC[C@]2(C[NH3+])C1 ZINC001577182819 993536161 /nfs/dbraw/zinc/53/61/61/993536161.db2.gz SZDBUPONQGQPQA-AVGNSLFASA-N 2 0 226.364 1.208 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]C2CC3(CC([NH3+])C3)C2)CO1 ZINC001577240204 993553887 /nfs/dbraw/zinc/55/38/87/993553887.db2.gz CUWRVBHFPMNZKH-BOHLEWGESA-N 2 0 224.348 1.413 20 0 BDADRP CC[C@@H]1CC[N@H+](C[C@@]23C[C@@H]2C[NH2+]C3)[C@@H]1C ZINC001577263203 993573890 /nfs/dbraw/zinc/57/38/90/993573890.db2.gz OGNWVQCGPKHXTE-LPWJVIDDSA-N 2 0 208.349 1.716 20 0 BDADRP CCC[C@](C)(O)C[NH2+]C[C@H](N)CC(F)(F)F ZINC001577330772 993597436 /nfs/dbraw/zinc/59/74/36/993597436.db2.gz GDIXVFIBCGSTPU-BDAKNGLRSA-N 2 0 242.285 1.407 20 0 BDADRP CCC[C@@H](C)[C@H](CO)NC[C@H]1CCC[NH2+]1 ZINC001577335786 993598251 /nfs/dbraw/zinc/59/82/51/993598251.db2.gz BQMPXZRKZOEZEC-UTUOFQBUSA-N 2 0 214.353 1.125 20 0 BDADRP CCC[C@H](C)[C@H](CO)[NH2+]CC12CC(C1)C[NH2+]2 ZINC001577336621 993603422 /nfs/dbraw/zinc/60/34/22/993603422.db2.gz SQANHIKVRIJNET-QCXCNERSSA-N 2 0 226.364 1.125 20 0 BDADRP CCC[C@H](C)[C@@H](CO)[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001577336197 993605244 /nfs/dbraw/zinc/60/52/44/993605244.db2.gz KYZCAYQZUNPICE-XNDORFDGSA-N 2 0 226.364 1.253 20 0 BDADRP CCC[C@@H](O)C[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC001577368919 993622766 /nfs/dbraw/zinc/62/27/66/993622766.db2.gz LTHJJMCRQMQVBL-NWDGAFQWSA-N 2 0 214.353 1.351 20 0 BDADRP CCC[C@H](O)C[N@H+](C)CC1CC[NH2+]CC1 ZINC001577370366 993630770 /nfs/dbraw/zinc/63/07/70/993630770.db2.gz YXPUCMUFBOSCLI-LBPRGKRZSA-N 2 0 214.353 1.079 20 0 BDADRP C[N@H+](CCCC[NH3+])CCOc1ccccc1 ZINC000385064982 993648151 /nfs/dbraw/zinc/64/81/51/993648151.db2.gz BQJMMHFYWNYCEU-UHFFFAOYSA-N 2 0 222.332 1.736 20 0 BDADRP CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C[NH2+]C ZINC001577418842 993659162 /nfs/dbraw/zinc/65/91/62/993659162.db2.gz FKLMDUSWWCVSBW-AGIUHOORSA-N 2 0 228.380 1.515 20 0 BDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC001577444872 993661544 /nfs/dbraw/zinc/66/15/44/993661544.db2.gz HKDIGEMHYABWTE-GRYCIOLGSA-N 2 0 243.395 1.206 20 0 BDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](CC)[NH2+]C ZINC001577445416 993663960 /nfs/dbraw/zinc/66/39/60/993663960.db2.gz RRIITTALJGQOLB-VXGBXAGGSA-N 2 0 243.395 1.221 20 0 BDADRP CCCC[N@H+](CCCO)CC1(C[NH3+])CCC1 ZINC001577454601 993668887 /nfs/dbraw/zinc/66/88/87/993668887.db2.gz KXVFYTPWZPFVAG-UHFFFAOYSA-N 2 0 228.380 1.600 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)[C@@H](C)C[NH2+]C ZINC001577510325 993675098 /nfs/dbraw/zinc/67/50/98/993675098.db2.gz KFTDRRVJXOJXFQ-RYUDHWBXSA-N 2 0 243.395 1.079 20 0 BDADRP CCCN(CCC[NH+](C)C)C(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC001577519758 993675307 /nfs/dbraw/zinc/67/53/07/993675307.db2.gz VNEZSBDSHIYHDJ-NWDGAFQWSA-N 2 0 243.395 1.160 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC001577510249 993677978 /nfs/dbraw/zinc/67/79/78/993677978.db2.gz HKULHHNMDDQFAJ-QJPTWQEYSA-N 2 0 243.395 1.206 20 0 BDADRP CCC[N@@H+]1CC[C@@H](NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC001577533252 993681214 /nfs/dbraw/zinc/68/12/14/993681214.db2.gz BQUGCWJXLSYCJP-KGLIPLIRSA-N 2 0 239.407 1.450 20 0 BDADRP C[NH+](C)CCCC[NH2+]C[C@@H](O)C(C)(C)C ZINC000389371333 993747884 /nfs/dbraw/zinc/74/78/84/993747884.db2.gz LNCXHUJQHIMJCO-LLVKDONJSA-N 2 0 216.369 1.325 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCCOCC2)CC1 ZINC000390283702 993783552 /nfs/dbraw/zinc/78/35/52/993783552.db2.gz WACVRCRYOJMVEJ-STQMWFEESA-N 2 0 226.364 1.629 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]C1CCOCC1 ZINC000390535810 993796621 /nfs/dbraw/zinc/79/66/21/993796621.db2.gz KBRFUQUYHLYFNH-GFCCVEGCSA-N 2 0 228.380 1.875 20 0 BDADRP C[N@@H+]1CCC[C@H](N2CCCC[C@H](C[NH3+])C2)C1 ZINC000390620860 993801107 /nfs/dbraw/zinc/80/11/07/993801107.db2.gz FPHNWTTUARZAMJ-OLZOCXBDSA-N 2 0 225.380 1.141 20 0 BDADRP CCCO[C@@H]1CC[N@@H+]([C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000701663360 993896716 /nfs/dbraw/zinc/89/67/16/993896716.db2.gz MWEYIHZUGWXTFW-RWMBFGLXSA-N 2 0 226.364 1.628 20 0 BDADRP CCCO[C@@H]1CC[N@@H+]([C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000701663361 993898294 /nfs/dbraw/zinc/89/82/94/993898294.db2.gz MWEYIHZUGWXTFW-YNEHKIRRSA-N 2 0 226.364 1.628 20 0 BDADRP CC[N@@H+]1CC[C@@H](NCCC[NH+]2CCCC2)C1 ZINC000393264404 993922071 /nfs/dbraw/zinc/92/20/71/993922071.db2.gz MJWUULFHIOAWEK-CYBMUJFWSA-N 2 0 225.380 1.156 20 0 BDADRP Cc1cc(N[C@@H]2CCCC[C@@H]2[NH+](C)C)nc(N)[nH+]1 ZINC001333601731 994481600 /nfs/dbraw/zinc/48/16/00/994481600.db2.gz JZQHQMCYQHPPPX-MNOVXSKESA-N 2 0 249.362 1.652 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CNc1nccnc1C[NH3+] ZINC001337772240 995218873 /nfs/dbraw/zinc/21/88/73/995218873.db2.gz QXUUTHZFWPMHRB-LLVKDONJSA-N 2 0 249.362 1.222 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001307989850 995516380 /nfs/dbraw/zinc/51/63/80/995516380.db2.gz VLCFXRWZLTUUQN-FQUUOJAGSA-N 2 0 238.375 1.295 20 0 BDADRP CC[C@H](O)C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000062071271 349437547 /nfs/dbraw/zinc/43/75/47/349437547.db2.gz ZYHLZEHWFLKYGJ-RYUDHWBXSA-N 2 0 214.353 1.079 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000300976299 349486508 /nfs/dbraw/zinc/48/65/08/349486508.db2.gz HQSIIRQEPNCFOX-RHYQMDGZSA-N 2 0 212.337 1.271 20 0 BDADRP CC(C)NC(=O)CC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422939320 398158673 /nfs/dbraw/zinc/15/86/73/398158673.db2.gz LWRAANWXSVTVKT-VXGBXAGGSA-N 2 0 241.379 1.151 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000415012874 398154446 /nfs/dbraw/zinc/15/44/46/398154446.db2.gz XWRGXYRPMPQELS-QWHCGFSZSA-N 3 0 239.407 1.578 20 0 BDADRP COCC[C@](C)(O)C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422976806 398161118 /nfs/dbraw/zinc/16/11/18/398161118.db2.gz JBBXVBLYPUBIMM-UPJWGTAASA-N 2 0 244.379 1.024 20 0 BDADRP CO[C@@H]1CCC[C@H]1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000423020154 398161196 /nfs/dbraw/zinc/16/11/96/398161196.db2.gz YYQYSPSHAZSGIE-RWMBFGLXSA-N 2 0 228.380 1.909 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)[C@@H]2CCCO2)C1 ZINC000379761278 398164925 /nfs/dbraw/zinc/16/49/25/398164925.db2.gz DSOJHEDKXKBNDA-IHRRRGAJSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccccc1CC[NH3+] ZINC000576236577 365532407 /nfs/dbraw/zinc/53/24/07/365532407.db2.gz UDFWNEOLTAHPJY-QWRGUYRKSA-N 2 0 249.358 1.043 20 0 BDADRP O[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647795767 398194189 /nfs/dbraw/zinc/19/41/89/398194189.db2.gz VTQWNBJXWFEQSZ-POQQGIQPSA-N 2 0 238.375 1.268 20 0 BDADRP Cc1cc(N2CC[C@@H]([C@H](C)[NH3+])C2)cc[nH+]1 ZINC000229577379 178118014 /nfs/dbraw/zinc/11/80/14/178118014.db2.gz AGXTWQQHUADLGZ-WDEREUQCSA-N 2 0 205.305 1.564 20 0 BDADRP CN1CC[N@H+](C[C@@H]2CC[NH2+]C2)Cc2ccccc21 ZINC000649412499 398214321 /nfs/dbraw/zinc/21/43/21/398214321.db2.gz PUEKYSFGXOAUQO-CYBMUJFWSA-N 2 0 245.370 1.548 20 0 BDADRP C[C@H]([NH3+])CN1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000649413853 398211764 /nfs/dbraw/zinc/21/17/64/398211764.db2.gz MWSCNIXEZNRQCS-ZFWWWQNUSA-N 2 0 247.386 1.540 20 0 BDADRP C[C@@H]1C[C@H](N(C)C[C@@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000649413859 398211987 /nfs/dbraw/zinc/21/19/87/398211987.db2.gz NRBMPSOFPVMPGS-JHJVBQTASA-N 2 0 225.380 1.010 20 0 BDADRP CC[NH+](CC)C[C@@H]1CCN(C[C@H]2CC[NH2+]C2)C1 ZINC000649413949 398212010 /nfs/dbraw/zinc/21/20/10/398212010.db2.gz XCVFDQJYYYUSME-KBPBESRZSA-N 2 0 239.407 1.260 20 0 BDADRP Cc1cc(NCC[NH+]2CCSCC2)cc[nH+]1 ZINC000229539646 178162207 /nfs/dbraw/zinc/16/22/07/178162207.db2.gz PVIUGJUFSRHWHV-UHFFFAOYSA-N 2 0 237.372 1.851 20 0 BDADRP CCC[N@H+](C)C[C@@H]1CCN(C[C@H]2CC[NH2+]C2)C1 ZINC000649414408 398212807 /nfs/dbraw/zinc/21/28/07/398212807.db2.gz YHOCVMZEECCXPQ-KBPBESRZSA-N 2 0 239.407 1.260 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@H](O)C(C)(C)C)CC1 ZINC000164008514 538931233 /nfs/dbraw/zinc/93/12/33/538931233.db2.gz PKNLEIRDEWKVGN-ZDUSSCGKSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@H]1CN(C)C[C@H]1[NH2+]CCCC1(O)CCC1 ZINC000421369288 192334531 /nfs/dbraw/zinc/33/45/31/192334531.db2.gz HAQRNPOPMYOEIV-NWDGAFQWSA-N 2 0 226.364 1.221 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@H](C)C[NH+](C)C)C1 ZINC000381168024 398231539 /nfs/dbraw/zinc/23/15/39/398231539.db2.gz SUMHOQSWQVGLOW-RWMBFGLXSA-N 2 0 228.380 1.731 20 0 BDADRP CCN1CCC[C@H]1C[N@H+](C)CC1CC[NH2+]CC1 ZINC000092629324 398235838 /nfs/dbraw/zinc/23/58/38/398235838.db2.gz CXJNDUCQRLKIKA-AWEZNQCLSA-N 2 0 239.407 1.402 20 0 BDADRP CCN1CCC[C@H]1C[N@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000092633673 398235882 /nfs/dbraw/zinc/23/58/82/398235882.db2.gz CHRHIBKRUGNAOR-KBPBESRZSA-N 2 0 239.407 1.402 20 0 BDADRP c1ccc2c(c1)CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)C2 ZINC000232465823 136229021 /nfs/dbraw/zinc/22/90/21/136229021.db2.gz TZURJHXXWKIRGV-HUUCEWRRSA-N 2 0 230.355 1.886 20 0 BDADRP C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc(C[NH3+])cc1 ZINC000576594060 365634838 /nfs/dbraw/zinc/63/48/38/365634838.db2.gz DNWMFBKCUIUBRY-GWCFXTLKSA-N 2 0 247.342 1.097 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCc1ccc2c(c1)OCO2 ZINC000258932404 349535980 /nfs/dbraw/zinc/53/59/80/349535980.db2.gz JMTVLQXHCVUPTQ-VXGBXAGGSA-N 2 0 248.326 1.427 20 0 BDADRP [NH3+]CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000576703096 365662588 /nfs/dbraw/zinc/66/25/88/365662588.db2.gz AMWOUYPHNRKBAS-VXGBXAGGSA-N 2 0 212.337 1.226 20 0 BDADRP C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000381543972 398262383 /nfs/dbraw/zinc/26/23/83/398262383.db2.gz JIIGLTRAFJCVOM-JHJVBQTASA-N 2 0 208.349 1.718 20 0 BDADRP C[NH2+][C@H](C)c1cn(Cc2cnccc2OC)nn1 ZINC000385742400 398262837 /nfs/dbraw/zinc/26/28/37/398262837.db2.gz QJEJSWPQSUSASE-SECBINFHSA-N 2 0 247.302 1.010 20 0 BDADRP CC[C@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@@H]1CCOC1 ZINC000344330987 365683429 /nfs/dbraw/zinc/68/34/29/365683429.db2.gz OIQVDRRYAOOOLT-KGLIPLIRSA-N 2 0 238.375 1.653 20 0 BDADRP COc1cc([C@H](C)[NH2+]CCC[NH3+])ccc1F ZINC000162128516 349571880 /nfs/dbraw/zinc/57/18/80/349571880.db2.gz OSGFJGQGXNOANY-VIFPVBQESA-N 2 0 226.295 1.834 20 0 BDADRP CCC(CC)[N@H+](CCOC)C[C@H](C)[NH3+] ZINC000044415375 168374315 /nfs/dbraw/zinc/37/43/15/168374315.db2.gz QWFOMSQLQJHARU-JTQLQIEISA-N 2 0 202.342 1.471 20 0 BDADRP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000180094971 538957527 /nfs/dbraw/zinc/95/75/27/538957527.db2.gz VJEMVTGJPKFKFR-PWSUYJOCSA-N 2 0 248.374 1.853 20 0 BDADRP COC[C@@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000037209122 538961870 /nfs/dbraw/zinc/96/18/70/538961870.db2.gz YEHJMYFFDBPKJQ-MNOVXSKESA-N 2 0 214.353 1.341 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000631844247 398290440 /nfs/dbraw/zinc/29/04/40/398290440.db2.gz VZPOHDLDOUPJIQ-CMPLNLGQSA-N 2 0 222.307 1.852 20 0 BDADRP CCC[NH+]1CCC(N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000040671749 538972323 /nfs/dbraw/zinc/97/23/23/538972323.db2.gz AAUUYEYZWOATCV-AWEZNQCLSA-N 2 0 239.407 1.545 20 0 BDADRP COCCC[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000086500639 536590859 /nfs/dbraw/zinc/59/08/59/536590859.db2.gz FCPMHAXNEHBALT-CHWSQXEVSA-N 2 0 228.380 1.923 20 0 BDADRP [NH3+]C1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCCC1 ZINC000335623815 136240384 /nfs/dbraw/zinc/24/03/84/136240384.db2.gz GESKYBIBQWIRSP-FUNVUKJBSA-N 2 0 237.391 1.521 20 0 BDADRP C[C@H]([NH2+]CCN1CCC1)C1CC[NH+](C)CC1 ZINC000381461831 539001085 /nfs/dbraw/zinc/00/10/85/539001085.db2.gz LFWYVHHKKSDCFW-LBPRGKRZSA-N 2 0 225.380 1.012 20 0 BDADRP COCC1([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000381759659 539007284 /nfs/dbraw/zinc/00/72/84/539007284.db2.gz TULMXPDUFWDLFW-RYUDHWBXSA-N 2 0 224.348 1.382 20 0 BDADRP CN(CCC[NH3+])Cc1ccc(C(F)(F)F)cn1 ZINC000382063912 398303027 /nfs/dbraw/zinc/30/30/27/398303027.db2.gz OKUVSBPBKXTXON-UHFFFAOYSA-N 2 0 247.264 1.881 20 0 BDADRP CC(C)[C@](C)(O)C[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000248200727 323016748 /nfs/dbraw/zinc/01/67/48/323016748.db2.gz YPCJOOZUGQEMBP-YIYPIFLZSA-N 2 0 242.407 1.712 20 0 BDADRP C[C@H](c1cccnc1)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252783271 398303345 /nfs/dbraw/zinc/30/33/45/398303345.db2.gz SPJDVLDEMCRTLK-DMDPSCGWSA-N 2 0 219.332 1.812 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1(C)C ZINC000300392916 259326878 /nfs/dbraw/zinc/32/68/78/259326878.db2.gz WCNAWOGZIQSAJG-NOOOWODRSA-N 2 0 226.364 1.659 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC[C@H]1CCOC1 ZINC000300361420 259326882 /nfs/dbraw/zinc/32/68/82/259326882.db2.gz DLPNGUFMUNWONJ-WOPDTQHZSA-N 2 0 212.337 1.225 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@H]2CC[C@H](C)O2)CC1 ZINC000148614519 398313509 /nfs/dbraw/zinc/31/35/09/398313509.db2.gz JQWACMFEIQKXHW-WCQYABFASA-N 2 0 226.364 1.628 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@H](CO)C1CCCC1 ZINC000385986729 342893342 /nfs/dbraw/zinc/89/33/42/342893342.db2.gz IQVGLJRZIDQAJH-CMPLNLGQSA-N 2 0 214.353 1.255 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)CCO1 ZINC000352608455 398322068 /nfs/dbraw/zinc/32/20/68/398322068.db2.gz LGRVGXLCCYXJOZ-MCIONIFRSA-N 2 0 240.391 1.685 20 0 BDADRP Nc1cccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000351482148 136246123 /nfs/dbraw/zinc/24/61/23/136246123.db2.gz ZEYLLXFXAUNSGR-FPMFFAJLSA-N 2 0 231.343 1.438 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]CC2CC[NH2+]CC2)C1(C)C ZINC000233783472 342912284 /nfs/dbraw/zinc/91/22/84/342912284.db2.gz IKGJCHDGXDAEOD-CHWSQXEVSA-N 2 0 240.391 1.779 20 0 BDADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(CO)cc2)CC1 ZINC000392917669 398335992 /nfs/dbraw/zinc/33/59/92/398335992.db2.gz CDNPADQLWGJXCY-UHFFFAOYSA-N 2 0 246.354 1.530 20 0 BDADRP CCN1CCC[C@H]([NH2+][C@@H](C)[C@H]2CCCOC2)C1 ZINC000356853641 342939525 /nfs/dbraw/zinc/93/95/25/342939525.db2.gz SNMXTDGREMXPJI-IHRRRGAJSA-N 2 0 240.391 1.875 20 0 BDADRP COCCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917809 398335309 /nfs/dbraw/zinc/33/53/09/398335309.db2.gz XPNLBAOBDMKBDB-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCO1 ZINC000300425471 398344652 /nfs/dbraw/zinc/34/46/52/398344652.db2.gz ZBTCGFHPWPIASL-DUJLVANISA-N 2 0 238.375 1.769 20 0 BDADRP [NH3+]C[C@@H]1C[N@H+](CCCCCF)CCCO1 ZINC000313395537 259334433 /nfs/dbraw/zinc/33/44/33/259334433.db2.gz PJINBJWKTMQZJZ-LLVKDONJSA-N 2 0 218.316 1.176 20 0 BDADRP [NH3+]C[C@@H]1C[N@H+](CCC2CCCC2)CCCO1 ZINC000313391360 259334273 /nfs/dbraw/zinc/33/42/73/259334273.db2.gz UVJWEAOTHRPQDN-CYBMUJFWSA-N 2 0 226.364 1.616 20 0 BDADRP COCCC1(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000234893816 342957466 /nfs/dbraw/zinc/95/74/66/342957466.db2.gz GYNQFGQNEBVTCZ-RYUDHWBXSA-N 2 0 226.364 1.663 20 0 BDADRP COCCC1(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000234893438 342957513 /nfs/dbraw/zinc/95/75/13/342957513.db2.gz GYNQFGQNEBVTCZ-NEPJUHHUSA-N 2 0 226.364 1.663 20 0 BDADRP CCN(C#N)CC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000602768874 349724362 /nfs/dbraw/zinc/72/43/62/349724362.db2.gz ZALCFHCDVOEPJS-UHFFFAOYSA-N 2 0 238.379 1.063 20 0 BDADRP CC(C)[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000037859790 342987512 /nfs/dbraw/zinc/98/75/12/342987512.db2.gz KJDIPNZFGGDRAA-NWDGAFQWSA-N 2 0 214.353 1.077 20 0 BDADRP CSC1(C[NH2+]C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000235256173 342999666 /nfs/dbraw/zinc/99/96/66/342999666.db2.gz RHOSTCIIEVJPDV-LLVKDONJSA-N 2 0 228.405 1.813 20 0 BDADRP CC[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)OC ZINC000308588451 259340035 /nfs/dbraw/zinc/34/00/35/259340035.db2.gz UDPNAGMVFQRCMR-GMTAPVOTSA-N 2 0 200.326 1.271 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000236791126 168417599 /nfs/dbraw/zinc/41/75/99/168417599.db2.gz UIXUGBHZQPARPV-GFCCVEGCSA-N 2 0 241.379 1.152 20 0 BDADRP C[C@@H](O)[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000562746405 323029885 /nfs/dbraw/zinc/02/98/85/323029885.db2.gz HDPUDQOASUMIKH-AAVRWANBSA-N 2 0 240.391 1.467 20 0 BDADRP O[C@@H](C[NH2+]CC1CC(F)(F)C1)C[NH+]1CCCC1 ZINC000383247062 362014238 /nfs/dbraw/zinc/01/42/38/362014238.db2.gz JQYDUQXXYBSTBS-NSHDSACASA-N 2 0 248.317 1.078 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H](CO)c2ccccc2)C1 ZINC000236304132 343091546 /nfs/dbraw/zinc/09/15/46/343091546.db2.gz RNWAUZMOAOMUHV-MGPQQGTHSA-N 2 0 234.343 1.580 20 0 BDADRP CCCN(CC)C[C@@H](C)[NH2+]C[C@@H](C)COC ZINC000310010808 343146021 /nfs/dbraw/zinc/14/60/21/343146021.db2.gz IODCGGZBWJKYOA-CHWSQXEVSA-N 2 0 230.396 1.979 20 0 BDADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000576881306 365712822 /nfs/dbraw/zinc/71/28/22/365712822.db2.gz YULQIDGKPCZJJC-CABCVRRESA-N 2 0 248.370 1.446 20 0 BDADRP CC1CCN(CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000093215421 343150840 /nfs/dbraw/zinc/15/08/40/343150840.db2.gz QPQRYNBTQJTFQN-KGLIPLIRSA-N 2 0 239.407 1.578 20 0 BDADRP [NH3+][C@H]1CCC[C@H](NC2CC[NH+](C3CC3)CC2)C1 ZINC000093214229 343150959 /nfs/dbraw/zinc/15/09/59/343150959.db2.gz NYXRRGMRAVJIGN-AAEUAGOBSA-N 2 0 237.391 1.473 20 0 BDADRP [NH3+]CCOCC[NH+]1CCc2ccccc2CC1 ZINC000093232489 343151271 /nfs/dbraw/zinc/15/12/71/343151271.db2.gz OMTUKQACYOZPIU-UHFFFAOYSA-N 2 0 234.343 1.063 20 0 BDADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(C(N)=O)cc1 ZINC000124526039 343163002 /nfs/dbraw/zinc/16/30/02/343163002.db2.gz WXYQMFJHQZTXEE-GXFFZTMASA-N 2 0 247.342 1.097 20 0 BDADRP CC[NH+]1CCC(C[NH2+]Cc2cccn2C)CC1 ZINC000050596276 343177104 /nfs/dbraw/zinc/17/71/04/343177104.db2.gz PRDPGVIBNUDWPJ-UHFFFAOYSA-N 2 0 235.375 1.847 20 0 BDADRP C[C@H]1CC[C@H](C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)O1 ZINC000634688538 343249114 /nfs/dbraw/zinc/24/91/14/343249114.db2.gz VVAOQCYLSOQWDY-RFQIPJPRSA-N 2 0 238.375 1.485 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCOCC(F)(F)F ZINC000084222092 136290866 /nfs/dbraw/zinc/29/08/66/136290866.db2.gz LUSSOFCNCGCDJO-IUCAKERBSA-N 2 0 240.269 1.282 20 0 BDADRP C[NH+](C)Cc1cccc(NC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000035254899 343290859 /nfs/dbraw/zinc/29/08/59/343290859.db2.gz YCXOXIHQOURDBM-ZDUSSCGKSA-N 2 0 247.342 1.439 20 0 BDADRP COCC[C@H](C)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069723872 343290005 /nfs/dbraw/zinc/29/00/05/343290005.db2.gz SBMBDAOSCFIDFJ-NWDGAFQWSA-N 2 0 214.353 1.472 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC[NH+](C)C)CCO1 ZINC000069858499 343293169 /nfs/dbraw/zinc/29/31/69/343293169.db2.gz SGQCFRMVMNUDSC-GHMZBOCLSA-N 2 0 200.326 1.095 20 0 BDADRP COC(C)(C)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000122196524 343308266 /nfs/dbraw/zinc/30/82/66/343308266.db2.gz ONKVUCJLEXCGKI-UHFFFAOYSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1nc(CNC[C@H]2CC[N@@H+](C3CC3)C2)[nH]c1C ZINC000584064549 343312072 /nfs/dbraw/zinc/31/20/72/343312072.db2.gz GQXISWCXIBTHPR-GFCCVEGCSA-N 2 0 248.374 1.600 20 0 BDADRP C[C@@H](CNC(=O)C[C@H]([NH3+])c1ccccc1)[NH+](C)C ZINC000038089264 343370241 /nfs/dbraw/zinc/37/02/41/343370241.db2.gz INPSIGVZKBUJBA-AAEUAGOBSA-N 2 0 249.358 1.143 20 0 BDADRP c1cncc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000335631345 136300489 /nfs/dbraw/zinc/30/04/89/136300489.db2.gz AZCSCEKPRAGRGM-GJZGRUSLSA-N 2 0 245.370 1.903 20 0 BDADRP CCc1cnc(C[NH2+]CC[C@@H]2CC[NH2+]C2)s1 ZINC000234222002 343374256 /nfs/dbraw/zinc/37/42/56/343374256.db2.gz PPGAUNWUXRRMBU-JTQLQIEISA-N 2 0 239.388 1.795 20 0 BDADRP C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000349151970 136326639 /nfs/dbraw/zinc/32/66/39/136326639.db2.gz PFSNJLNSKSNCHW-GRYCIOLGSA-N 2 0 219.332 1.865 20 0 BDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C[NH3+] ZINC000040855587 343409974 /nfs/dbraw/zinc/40/99/74/343409974.db2.gz QQGVIWQHGZWVNO-UHFFFAOYSA-N 2 0 249.358 1.103 20 0 BDADRP CCO[C@@H]1C[C@@H]1[NH2+][C@H]1CCN(C)C[C@H]1C ZINC000380159851 343420441 /nfs/dbraw/zinc/42/04/41/343420441.db2.gz AKUPBCSDUTXZPN-NOOOWODRSA-N 2 0 212.337 1.094 20 0 BDADRP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2CC2CC2)C1 ZINC000335703604 136334659 /nfs/dbraw/zinc/33/46/59/136334659.db2.gz YCRZKPHNBSZFKO-OLZOCXBDSA-N 2 0 208.349 1.813 20 0 BDADRP C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cncn1C ZINC000335704745 136335293 /nfs/dbraw/zinc/33/52/93/136335293.db2.gz KLXUPCBNEQYNAT-STQMWFEESA-N 2 0 248.374 1.479 20 0 BDADRP CCOCC[N@H+](CC)C[C@@]1(C)CC[NH2+]C1 ZINC000082538571 343449248 /nfs/dbraw/zinc/44/92/48/343449248.db2.gz KAFQYHNJVIKBLP-LBPRGKRZSA-N 2 0 214.353 1.344 20 0 BDADRP CCc1noc(C)c1CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000335907074 136371211 /nfs/dbraw/zinc/37/12/11/136371211.db2.gz JCARGDZHIQMGKI-SMDDNHRTSA-N 2 0 249.358 1.729 20 0 BDADRP COCCCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000247977548 136373555 /nfs/dbraw/zinc/37/35/55/136373555.db2.gz HZDYTZCEUBXQIZ-ZIAGYGMSSA-N 2 0 240.391 1.829 20 0 BDADRP Cc1ccc(C)c(C[N@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000258991112 136373986 /nfs/dbraw/zinc/37/39/86/136373986.db2.gz MNXYNXMIZFNWCW-ZDUSSCGKSA-N 2 0 222.332 1.055 20 0 BDADRP CC[NH2+][C@H](C)CNC(=O)[C@H]([NH3+])c1ccc(C)cc1 ZINC000262674892 136374557 /nfs/dbraw/zinc/37/45/57/136374557.db2.gz TVKFVJONCUNQFC-DGCLKSJQSA-N 2 0 249.358 1.109 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(CC)(CC)C1 ZINC000310526526 343524287 /nfs/dbraw/zinc/52/42/87/343524287.db2.gz NCPURZUEENZNCB-CYBMUJFWSA-N 2 0 242.407 1.811 20 0 BDADRP CCCC[N@H+](CCO)C[C@H]1CCC[NH2+]C1 ZINC000087647801 343656287 /nfs/dbraw/zinc/65/62/87/343656287.db2.gz BLVFEYFFQZCQSS-LBPRGKRZSA-N 2 0 214.353 1.080 20 0 BDADRP Cc1ccccc1[C@H](C)[NH2+]CCN1CC[C@H](O)C1 ZINC000624333018 343716055 /nfs/dbraw/zinc/71/60/55/343716055.db2.gz GHGIOFMLYUWIQX-KBPBESRZSA-N 2 0 248.370 1.712 20 0 BDADRP CC[C@H]([NH3+])CNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000576636135 343754865 /nfs/dbraw/zinc/75/48/65/343754865.db2.gz PMOMFCLLIDIDFC-NWDGAFQWSA-N 2 0 241.379 1.104 20 0 BDADRP CC[C@H]([NH3+])CNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000576636136 343755107 /nfs/dbraw/zinc/75/51/07/343755107.db2.gz PMOMFCLLIDIDFC-RYUDHWBXSA-N 2 0 241.379 1.104 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCSC)[C@@H](C)C1 ZINC000221754075 346995206 /nfs/dbraw/zinc/99/52/06/346995206.db2.gz KWWOFWUPDSJOMM-WDEREUQCSA-N 2 0 216.394 1.669 20 0 BDADRP Cc1cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)ccn1 ZINC000621775026 343898417 /nfs/dbraw/zinc/89/84/17/343898417.db2.gz CZTQMMSNYRZOSE-CYBMUJFWSA-N 2 0 219.332 1.561 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCN(Cc2cncc(Cl)c2)C1 ZINC000621775362 343899127 /nfs/dbraw/zinc/89/91/27/343899127.db2.gz MVIFKEXSHGSBRH-ONGXEEELSA-N 2 0 239.750 1.904 20 0 BDADRP COCC[C@H](C)[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621782927 343904699 /nfs/dbraw/zinc/90/46/99/343904699.db2.gz UZMFPIIKNPWEJW-QJPTWQEYSA-N 2 0 212.337 1.225 20 0 BDADRP Cc1c[nH]c(CN2CCC[N@@H+](C(C)C)CC2)n1 ZINC000628118628 343968743 /nfs/dbraw/zinc/96/87/43/343968743.db2.gz AYGWBAWXPVLGFI-UHFFFAOYSA-N 2 0 236.363 1.634 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(C)(C)CC1 ZINC000381162676 344073947 /nfs/dbraw/zinc/07/39/47/344073947.db2.gz RTDJZAAHNXJNCB-LBPRGKRZSA-N 2 0 228.380 1.421 20 0 BDADRP Cn1cncc1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732408 344106331 /nfs/dbraw/zinc/10/63/31/344106331.db2.gz FYBRQNBXOFPXNE-LLVKDONJSA-N 2 0 236.363 1.288 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cccnc2)C1 ZINC000634732741 344106947 /nfs/dbraw/zinc/10/69/47/344106947.db2.gz NSBRWKYVZINTHI-CYBMUJFWSA-N 2 0 233.359 1.949 20 0 BDADRP COC[C@@H](C)C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733426 344113167 /nfs/dbraw/zinc/11/31/67/344113167.db2.gz FNTXKMVZKZNGEX-RYUDHWBXSA-N 2 0 228.380 1.637 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CC2=CCCOC2)C1 ZINC000634733320 344113177 /nfs/dbraw/zinc/11/31/77/344113177.db2.gz CORYFENORNTVSM-CYBMUJFWSA-N 2 0 238.375 1.701 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CC2(F)CC2)C1 ZINC000634733387 344113254 /nfs/dbraw/zinc/11/32/54/344113254.db2.gz DSHSYZKERLNRRS-JTQLQIEISA-N 2 0 214.328 1.856 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H]2CCCOCC2)C1 ZINC000634733676 344114034 /nfs/dbraw/zinc/11/40/34/344114034.db2.gz KXYPYDSYXXIGAO-QWHCGFSZSA-N 2 0 240.391 1.923 20 0 BDADRP CCC[N@@H+]1CC[C@@H](CNc2cc(CO)ccn2)C1 ZINC000641303686 362357506 /nfs/dbraw/zinc/35/75/06/362357506.db2.gz FXPNUUKETFYXSL-ZDUSSCGKSA-N 2 0 249.358 1.718 20 0 BDADRP Fc1cnccc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000641308983 362359325 /nfs/dbraw/zinc/35/93/25/362359325.db2.gz LMDRUPQFBUKPCJ-VIFPVBQESA-N 2 0 221.279 1.291 20 0 BDADRP C1C[C@@H]2C[C@@H]([NH2+][C@@H]3CCSC3)CC[N@@H+]2C1 ZINC000130142150 344218956 /nfs/dbraw/zinc/21/89/56/344218956.db2.gz SDIQOBDQBHHNPB-QJPTWQEYSA-N 2 0 226.389 1.708 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCN2C)C1 ZINC000234827499 344271041 /nfs/dbraw/zinc/27/10/41/344271041.db2.gz GLLMOUWCZFDDMB-RWMBFGLXSA-N 2 0 226.364 1.628 20 0 BDADRP CC[N@@H+](Cc1cnn(C)c1)CC1CC[NH2+]CC1 ZINC000094011144 344325044 /nfs/dbraw/zinc/32/50/44/344325044.db2.gz OQGDWNXPHIAJSU-UHFFFAOYSA-N 2 0 236.363 1.242 20 0 BDADRP c1cc2c(ncnc2N[C@H]2CCC[NH2+]CC2)[nH]1 ZINC000634813542 344399280 /nfs/dbraw/zinc/39/92/80/344399280.db2.gz OMUFJFQUBKQCOZ-VIFPVBQESA-N 2 0 231.303 1.512 20 0 BDADRP C[C@H]1C[C@H](Nc2cc(CO)ccn2)CC[N@@H+]1C ZINC000641396031 362394928 /nfs/dbraw/zinc/39/49/28/362394928.db2.gz ICPIIZGQQSQNEF-CMPLNLGQSA-N 2 0 235.331 1.469 20 0 BDADRP C[NH+]1CCC(C[NH2+]C2CCOCC2)CC1 ZINC000044516332 344541530 /nfs/dbraw/zinc/54/15/30/344541530.db2.gz CRAOXCNYOIZLGB-UHFFFAOYSA-N 2 0 212.337 1.097 20 0 BDADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C[NH2+]C ZINC000037812240 344591078 /nfs/dbraw/zinc/59/10/78/344591078.db2.gz WCVSHWHBFIVKJQ-UHFFFAOYSA-N 2 0 243.395 1.032 20 0 BDADRP COc1ccc(C[NH+]2CCC(CC[NH3+])CC2)cn1 ZINC000158324878 344597053 /nfs/dbraw/zinc/59/70/53/344597053.db2.gz KYOPFMSMLXNXPG-UHFFFAOYSA-N 2 0 249.358 1.651 20 0 BDADRP COCC[N@H+](C)CCC[NH2+]CC(C)C ZINC000047892484 344582603 /nfs/dbraw/zinc/58/26/03/344582603.db2.gz OFZJRXQOGUOTBW-UHFFFAOYSA-N 2 0 202.342 1.200 20 0 BDADRP COC[C@@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000049332224 344618548 /nfs/dbraw/zinc/61/85/48/344618548.db2.gz QWIZVXLTFUFZGH-LLVKDONJSA-N 2 0 200.326 1.097 20 0 BDADRP C[C@H]([NH2+]C[C@@]1(C)CCCO1)C1CC[NH+](C)CC1 ZINC000094797678 537851355 /nfs/dbraw/zinc/85/13/55/537851355.db2.gz HFKNWIFKBOASQX-GXTWGEPZSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1nc(CNCCC[NH2+]C2CC2)cs1 ZINC000049539080 344651932 /nfs/dbraw/zinc/65/19/32/344651932.db2.gz AZFOTZNNMISGCU-UHFFFAOYSA-N 2 0 225.361 1.683 20 0 BDADRP C[C@@H](CC[NH+](C)C)NC1CC[NH+](C)CC1 ZINC000049551827 344652995 /nfs/dbraw/zinc/65/29/95/344652995.db2.gz QCLBXTJZAKRRCE-NSHDSACASA-N 2 0 213.369 1.010 20 0 BDADRP [NH3+][C@H]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000050227975 344659451 /nfs/dbraw/zinc/65/94/51/344659451.db2.gz UYCYGECWSULEDD-GJZGRUSLSA-N 2 0 245.370 1.294 20 0 BDADRP CSCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128043605 344725083 /nfs/dbraw/zinc/72/50/83/344725083.db2.gz UDCNLRBJXQEVKE-WDEREUQCSA-N 2 0 214.378 1.566 20 0 BDADRP C[NH2+]CC1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000083527370 133527118 /nfs/dbraw/zinc/52/71/18/133527118.db2.gz IAPKLFZBFMTEAI-CYBMUJFWSA-N 2 0 226.364 1.487 20 0 BDADRP COCC1([NH2+][C@@H](C)CCCC[NH3+])CC1 ZINC000521026849 259380070 /nfs/dbraw/zinc/38/00/70/259380070.db2.gz WSXOHWBFBDIZBQ-JTQLQIEISA-N 2 0 200.326 1.273 20 0 BDADRP [NH3+]Cc1cccc(OCC[C@H]2CC[NH2+]C2)c1 ZINC000562981053 323077812 /nfs/dbraw/zinc/07/78/12/323077812.db2.gz QJVVQVYJQTZCEM-LLVKDONJSA-N 2 0 220.316 1.524 20 0 BDADRP Cc1c[nH]c(CN(C)[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000628163463 344866370 /nfs/dbraw/zinc/86/63/70/344866370.db2.gz DAICPHXCDSNDFO-LBPRGKRZSA-N 2 0 234.347 1.387 20 0 BDADRP C[C@H](O)C[C@H](C)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339069039 537871188 /nfs/dbraw/zinc/87/11/88/537871188.db2.gz UJZVDLDKDHHOBS-XUXIUFHCSA-N 2 0 240.391 1.610 20 0 BDADRP C[NH2+]CCC[N@@H+](Cc1ccccc1)C[C@H](C)O ZINC000579354910 344955989 /nfs/dbraw/zinc/95/59/89/344955989.db2.gz QXUOUDSYVCTNJL-ZDUSSCGKSA-N 2 0 236.359 1.479 20 0 BDADRP C[C@@H]([NH2+]CCC[NH+](C)C)C1CC(F)(F)C1 ZINC000628199547 344969925 /nfs/dbraw/zinc/96/99/25/344969925.db2.gz XCVHNKHSYQEEFL-SECBINFHSA-N 2 0 220.307 1.962 20 0 BDADRP Cc1ncc(CNC[C@H]2CC[N@@H+](C3CC3)C2)o1 ZINC000628202117 344976234 /nfs/dbraw/zinc/97/62/34/344976234.db2.gz HNKBFIBQCBPDCJ-LLVKDONJSA-N 2 0 235.331 1.557 20 0 BDADRP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[NH+]1CCCCC1 ZINC000667585424 537884047 /nfs/dbraw/zinc/88/40/47/537884047.db2.gz AOLZXLBYBSULFL-QWHCGFSZSA-N 2 0 224.348 1.241 20 0 BDADRP CCCC[N@H+](C)CCNC(=O)[C@@H]([NH3+])[C@@H](C)CC ZINC000155679100 345095983 /nfs/dbraw/zinc/09/59/83/345095983.db2.gz OQKSSRZMUJCFNW-RYUDHWBXSA-N 2 0 243.395 1.208 20 0 BDADRP C(C[NH+]1CCCC1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000155812036 345106095 /nfs/dbraw/zinc/10/60/95/345106095.db2.gz KJPGZQRINNWLQT-ZIAGYGMSSA-N 2 0 237.391 1.299 20 0 BDADRP c1nc(CN2CCC([NH+]3CCCCC3)CC2)c[nH]1 ZINC000080171060 345111421 /nfs/dbraw/zinc/11/14/21/345111421.db2.gz AMKYMXJZPBCGRR-UHFFFAOYSA-N 2 0 248.374 1.860 20 0 BDADRP CC(C)[C@H](C[NH3+])CN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000634990788 345173356 /nfs/dbraw/zinc/17/33/56/345173356.db2.gz CMBDKVFGYJQGAF-RWMBFGLXSA-N 2 0 227.396 1.277 20 0 BDADRP CC[NH+](CC)[C@@H]1CCN(CC23CC(C2)C[NH2+]3)C1 ZINC000634991534 345177511 /nfs/dbraw/zinc/17/75/11/345177511.db2.gz IDIIRIMHQGQUTB-ROKHWSDSSA-N 2 0 237.391 1.155 20 0 BDADRP CC(C)[C@H](C[NH3+])CN(C)CC[C@H]([NH3+])C(C)C ZINC000634991436 345177834 /nfs/dbraw/zinc/17/78/34/345177834.db2.gz DNKAROXGKHIJLC-OLZOCXBDSA-N 2 0 229.412 1.523 20 0 BDADRP CC(C)[C@H](C[NH3+])CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000634991642 345178647 /nfs/dbraw/zinc/17/86/47/345178647.db2.gz MPFOUNRNYLTTHM-UPJWGTAASA-N 2 0 225.380 1.044 20 0 BDADRP C[C@H]1C[C@@H](N(C)CC23CC(C2)C[NH2+]3)CC[N@@H+]1C ZINC000634993555 345190577 /nfs/dbraw/zinc/19/05/77/345190577.db2.gz XZWFECVFEIZUIR-AHPWVWPOSA-N 2 0 237.391 1.153 20 0 BDADRP CC[NH2+]Cc1cccc(NCC23CC(C2)C[NH2+]3)c1 ZINC000634994407 345181657 /nfs/dbraw/zinc/18/16/57/345181657.db2.gz BRXZIZNKRXDSFZ-UHFFFAOYSA-N 2 0 245.370 1.960 20 0 BDADRP C[NH2+]Cc1ccccc1NCC12CC(C1)C[NH2+]2 ZINC000634995146 345183845 /nfs/dbraw/zinc/18/38/45/345183845.db2.gz WLVPSLVRPHOTFK-UHFFFAOYSA-N 2 0 231.343 1.570 20 0 BDADRP CC(C)[C@H](C[NH3+])C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000634994978 345183900 /nfs/dbraw/zinc/18/39/00/345183900.db2.gz RKKAVXOSEUVORA-HZSPNIEDSA-N 3 0 239.407 1.149 20 0 BDADRP C[C@]1([NH2+]CC23CC(C2)C[NH2+]3)CC=CCC1 ZINC000634996834 345184398 /nfs/dbraw/zinc/18/43/98/345184398.db2.gz WPDULQZZBIBXPX-CPCZMJQVSA-N 2 0 206.333 1.827 20 0 BDADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]CC23CC(C2)C[NH2+]3)CC1 ZINC000634995365 345184506 /nfs/dbraw/zinc/18/45/06/345184506.db2.gz BSWHFLXSIDSLFG-HXZBBRIXSA-N 2 0 237.391 1.093 20 0 BDADRP CC[NH2+]Cc1ccccc1NCC12CC(C1)C[NH2+]2 ZINC000634995450 345185412 /nfs/dbraw/zinc/18/54/12/345185412.db2.gz FGQRCVXBLOOMMV-UHFFFAOYSA-N 2 0 245.370 1.960 20 0 BDADRP CC(C)[C@H](C[NH3+])CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000634995964 345185919 /nfs/dbraw/zinc/18/59/19/345185919.db2.gz VBTGIQHKOPNEIT-UTUOFQBUSA-N 2 0 213.369 1.077 20 0 BDADRP CC[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)[C@H]1CCCO1 ZINC000634996078 345186976 /nfs/dbraw/zinc/18/69/76/345186976.db2.gz YVLODTCFNZIQTH-QZQSVVMZSA-N 2 0 224.348 1.286 20 0 BDADRP OC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCC1 ZINC000156116866 345129121 /nfs/dbraw/zinc/12/91/21/345129121.db2.gz BEQLPIWTWJNSJZ-QWHCGFSZSA-N 2 0 238.375 1.508 20 0 BDADRP CCC[NH+]1CCC(C[NH2+]Cc2ccon2)CC1 ZINC000634959605 345133368 /nfs/dbraw/zinc/13/33/68/345133368.db2.gz WPAQMUZNLTUYFI-UHFFFAOYSA-N 2 0 237.347 1.886 20 0 BDADRP C(N[C@@H]1CC[NH2+]C12CCCC2)C12CC(C1)C[NH2+]2 ZINC000634996391 345187764 /nfs/dbraw/zinc/18/77/64/345187764.db2.gz INBOTNDSTCOAQN-OTTFEQOBSA-N 2 0 235.375 1.003 20 0 BDADRP COC[C@H](CC(C)(C)C)NCC12CC(C1)C[NH2+]2 ZINC000634996284 345187771 /nfs/dbraw/zinc/18/77/71/345187771.db2.gz FPIDMQSZDCACRI-LXVYMNJGSA-N 2 0 240.391 1.779 20 0 BDADRP c1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)no1 ZINC000634978784 345158449 /nfs/dbraw/zinc/15/84/49/345158449.db2.gz MFOJIXVYCKRJPO-UHFFFAOYSA-N 2 0 235.331 1.639 20 0 BDADRP CC(C)[C@H](C[NH3+])C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000634993795 345191814 /nfs/dbraw/zinc/19/18/14/345191814.db2.gz GTYWKOVMWCMMAP-QWHCGFSZSA-N 2 0 227.396 1.278 20 0 BDADRP C([N@@H+]1CC[C@@H]2CCC[C@H]21)C12CC(C1)C[NH2+]2 ZINC000634994243 345192402 /nfs/dbraw/zinc/19/24/02/345192402.db2.gz WSXAYJPWMGFTFK-CMOBGSAGSA-N 2 0 206.333 1.613 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CCCCC[C@@H]([NH3+])C1 ZINC000634997221 345194552 /nfs/dbraw/zinc/19/45/52/345194552.db2.gz GTNXFTRORNAJDE-CHWSQXEVSA-N 2 0 227.396 1.563 20 0 BDADRP CC(C)(C)[NH2+]CCN1CCCCC[C@H]([NH3+])C1 ZINC000634997162 345194576 /nfs/dbraw/zinc/19/45/76/345194576.db2.gz FDORJSCFWYATND-LBPRGKRZSA-N 2 0 227.396 1.578 20 0 BDADRP Cc1nn(C)c(C)c1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000634999133 345199427 /nfs/dbraw/zinc/19/94/27/345199427.db2.gz QLGUGBDWRMXHNN-JOYOIKCWSA-N 2 0 236.363 1.064 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC(C)(C)F ZINC000635003077 345205637 /nfs/dbraw/zinc/20/56/37/345205637.db2.gz FQUDKYZYBFJTDW-NXEZZACHSA-N 2 0 202.317 1.712 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635003324 345206415 /nfs/dbraw/zinc/20/64/15/345206415.db2.gz CBNMNGQPVRGRQL-AAVRWANBSA-N 3 0 239.407 1.482 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635006001 345209619 /nfs/dbraw/zinc/20/96/19/345209619.db2.gz ANTBQOLATXWWQJ-NHYWBVRUSA-N 2 0 246.354 1.599 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000635006050 345210857 /nfs/dbraw/zinc/21/08/57/345210857.db2.gz XFTSEWXDMVMKTB-HBNTYKKESA-N 2 0 202.342 1.253 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635007130 345211475 /nfs/dbraw/zinc/21/14/75/345211475.db2.gz ADTYDHRGEOJVPH-UPJWGTAASA-N 2 0 239.407 1.304 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1cn[nH]c1 ZINC000635010020 345211853 /nfs/dbraw/zinc/21/18/53/345211853.db2.gz IQTHBQHCCVKQNG-JQWIXIFHSA-N 2 0 236.363 1.839 20 0 BDADRP CC(C)[C@H](C)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635009458 345211980 /nfs/dbraw/zinc/21/19/80/345211980.db2.gz NHBUXGSZVYCACP-LBPRGKRZSA-N 2 0 248.374 1.948 20 0 BDADRP [NH3+][C@H](CC[NH2+]C1CCOCC1)Cc1ccccc1 ZINC000635010139 345212182 /nfs/dbraw/zinc/21/21/82/345212182.db2.gz YOFXFUHQQDRXBB-CQSZACIVSA-N 2 0 248.370 1.715 20 0 BDADRP C[C@@H]1COCC[C@H]1[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635011884 345213705 /nfs/dbraw/zinc/21/37/05/345213705.db2.gz PXACSZVVTSTCSF-JHJVBQTASA-N 2 0 240.391 1.779 20 0 BDADRP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CCN1C ZINC000635008172 345215768 /nfs/dbraw/zinc/21/57/68/345215768.db2.gz RLWNHFLSUAENOE-XUXIUFHCSA-N 3 0 239.407 1.576 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCCn2nccc21 ZINC000635013433 345218074 /nfs/dbraw/zinc/21/80/74/345218074.db2.gz SQZUTQHEVKIJLT-GARJFASQSA-N 2 0 222.336 1.433 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)CC1CCC1 ZINC000635014257 345218855 /nfs/dbraw/zinc/21/88/55/345218855.db2.gz ZZQZNDWQFNTYCP-AAEUAGOBSA-N 2 0 228.380 1.909 20 0 BDADRP CSCCCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000229209198 345452761 /nfs/dbraw/zinc/45/27/61/345452761.db2.gz LKTXRHXXOPQOJW-WDEREUQCSA-N 2 0 216.394 1.847 20 0 BDADRP C[C@@H]1CN(C)C[C@H]1[NH2+]CCOCC1CCC1 ZINC000381353375 345453552 /nfs/dbraw/zinc/45/35/52/345453552.db2.gz BWSSHIXLBKJKIV-DGCLKSJQSA-N 2 0 226.364 1.343 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CCCC[NH3+])C1 ZINC000563078412 323087418 /nfs/dbraw/zinc/08/74/18/323087418.db2.gz YYMGKSDUXWHQHX-VXGBXAGGSA-N 2 0 241.379 1.104 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCO)[C@H](C)C1 ZINC000081096918 345465115 /nfs/dbraw/zinc/46/51/15/345465115.db2.gz MBOCNAUSLMOGIJ-NEPJUHHUSA-N 2 0 214.353 1.031 20 0 BDADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccno2)[C@H](C)C1 ZINC000081095948 345465360 /nfs/dbraw/zinc/46/53/60/345465360.db2.gz IHWSDQMJMXTUNR-DGCLKSJQSA-N 2 0 237.347 1.837 20 0 BDADRP Cc1cc(NC(=O)C[N@@H+](C)CC(C)(C)C)ccn1 ZINC000635550722 345612820 /nfs/dbraw/zinc/61/28/20/345612820.db2.gz DVHOWIKXGMTQOD-UHFFFAOYSA-N 2 0 249.358 1.728 20 0 BDADRP C[C@H](c1ccncc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000082687087 345679842 /nfs/dbraw/zinc/67/98/42/345679842.db2.gz GQAUYCCWDWZNAR-RTXFEEFZSA-N 2 0 217.316 1.294 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2ccccn2)C1 ZINC000221395289 345747719 /nfs/dbraw/zinc/74/77/19/345747719.db2.gz AFVMTHVFPDHLGW-NWDGAFQWSA-N 2 0 219.332 1.689 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)CCCC[NH3+] ZINC000147294015 345711119 /nfs/dbraw/zinc/71/11/19/345711119.db2.gz CGYARGDJZFTASX-RYUDHWBXSA-N 3 0 215.385 1.611 20 0 BDADRP CC1([NH2+]Cc2ccccc2)CC[NH2+]CC1 ZINC000147735972 345718367 /nfs/dbraw/zinc/71/83/67/345718367.db2.gz PNKHRWCLZINSCF-UHFFFAOYSA-N 2 0 204.317 1.918 20 0 BDADRP CCC[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000159980713 345769619 /nfs/dbraw/zinc/76/96/19/345769619.db2.gz XPNRCKVGFIECDV-UPJWGTAASA-N 2 0 226.364 1.364 20 0 BDADRP CCOCCCN1CCC[C@H]([NH2+]C(C)C)C1 ZINC000070584492 345788739 /nfs/dbraw/zinc/78/87/39/345788739.db2.gz NCMGMTOKKUDXCV-ZDUSSCGKSA-N 2 0 228.380 1.875 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC1C[NH2+]C1 ZINC000307654538 345878177 /nfs/dbraw/zinc/87/81/77/345878177.db2.gz MRZMLAYKNHIFNP-IUODEOHRSA-N 2 0 245.370 1.068 20 0 BDADRP C[C@H](O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000051822138 346090691 /nfs/dbraw/zinc/09/06/91/346090691.db2.gz QWCPPINYDBGYDO-RYUDHWBXSA-N 2 0 214.353 1.173 20 0 BDADRP C[C@@H](O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000051822139 346090744 /nfs/dbraw/zinc/09/07/44/346090744.db2.gz QWCPPINYDBGYDO-NEPJUHHUSA-N 2 0 214.353 1.173 20 0 BDADRP COC[C@H](CC(C)C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000531716359 323112117 /nfs/dbraw/zinc/11/21/17/323112117.db2.gz SYHQXURCNQCQTE-KBPBESRZSA-N 2 0 242.407 1.979 20 0 BDADRP CC[NH+](CC)CC[C@H](CO)[NH2+]CC(C)C ZINC000641770922 362708526 /nfs/dbraw/zinc/70/85/26/362708526.db2.gz ABBIUVGHXHUFMB-GFCCVEGCSA-N 2 0 216.369 1.325 20 0 BDADRP CC[C@@H](C)C[NH2+][C@@H](CO)CC[NH+](CC)CC ZINC000641773663 362713126 /nfs/dbraw/zinc/71/31/26/362713126.db2.gz ZAXWPYRJICBPDS-CHWSQXEVSA-N 2 0 230.396 1.715 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000300369355 346433126 /nfs/dbraw/zinc/43/31/26/346433126.db2.gz XQEWHBHTGFVYIV-STQMWFEESA-N 2 0 227.396 1.576 20 0 BDADRP c1n[nH]cc1CC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000641798268 362743437 /nfs/dbraw/zinc/74/34/37/362743437.db2.gz DHNPFTWLMXSXNR-KGLIPLIRSA-N 2 0 248.374 1.416 20 0 BDADRP C[NH+]1CCC(C[NH2+]Cc2ccc(=O)[nH]c2)CC1 ZINC000392775232 349962261 /nfs/dbraw/zinc/96/22/61/349962261.db2.gz YUBJZOPYNBJJNJ-UHFFFAOYSA-N 2 0 235.331 1.219 20 0 BDADRP C[C@H]1[C@@H]([NH3+])CCN1C[C@@H]1CCC2(CCCC2)O1 ZINC000641799447 362748561 /nfs/dbraw/zinc/74/85/61/362748561.db2.gz MZBSAQVBJZIHED-AVGNSLFASA-N 2 0 238.375 1.900 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(O)c1 ZINC000580074966 346510852 /nfs/dbraw/zinc/51/08/52/346510852.db2.gz PMGNTHMVLSLZSZ-ZJUUUORDSA-N 2 0 208.305 1.608 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000641801697 362756439 /nfs/dbraw/zinc/75/64/39/362756439.db2.gz DZAJOFAGLMLART-NEPJUHHUSA-N 3 0 225.380 1.092 20 0 BDADRP CN(CC[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)c1ccccc1 ZINC000641801842 362757656 /nfs/dbraw/zinc/75/76/56/362757656.db2.gz FRFFKYJQMZHHTD-KGLIPLIRSA-N 2 0 247.386 1.838 20 0 BDADRP C[C@H]1CCC(C)(C)[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000641802123 362758009 /nfs/dbraw/zinc/75/80/09/362758009.db2.gz XVRWGXVGLIGLOX-RYUDHWBXSA-N 2 0 238.375 1.770 20 0 BDADRP CN(C)c1ccccc1C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641802260 362758290 /nfs/dbraw/zinc/75/82/90/362758290.db2.gz IMYLJDTUCACJIT-KBPBESRZSA-N 2 0 247.386 1.968 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000300400289 346612204 /nfs/dbraw/zinc/61/22/04/346612204.db2.gz UWQACXIWFVJQNB-TUAOUCFPSA-N 2 0 214.353 1.397 20 0 BDADRP Cc1cccc(NC[C@@H]2CCC[NH2+]C2)[nH+]1 ZINC000044503033 179145942 /nfs/dbraw/zinc/14/59/42/179145942.db2.gz BLADVXJWFHMCLE-LLVKDONJSA-N 2 0 205.305 1.802 20 0 BDADRP Cc1cccc(OCC[NH2+]C2CC[NH2+]CC2)c1 ZINC000042895619 179168499 /nfs/dbraw/zinc/16/84/99/179168499.db2.gz QDTMJTXDTNBWDF-UHFFFAOYSA-N 2 0 234.343 1.715 20 0 BDADRP Cc1cc(N2CC[C@H]([NH3+])[C@H](C)C2)nc(C2CC2)n1 ZINC000582052826 347142115 /nfs/dbraw/zinc/14/21/15/347142115.db2.gz AEFNWVKOJPKBTI-SKDRFNHKSA-N 2 0 246.358 1.836 20 0 BDADRP [NH3+][C@]12CCC[C@H]1C[N@H+](C[C@H]1CCSC1)C2 ZINC000622004899 370655672 /nfs/dbraw/zinc/65/56/72/370655672.db2.gz WEEJOJWXRHUDEU-WOPDTQHZSA-N 2 0 226.389 1.553 20 0 BDADRP C[N@@H+]1CCC[C@H](N[C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000250603041 537987958 /nfs/dbraw/zinc/98/79/58/537987958.db2.gz KOMYMQCDAUTKKJ-RDBSUJKOSA-N 2 0 237.391 1.297 20 0 BDADRP CCCC[C@H](CC)[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000309839846 347182605 /nfs/dbraw/zinc/18/26/05/347182605.db2.gz ODPSDEUWSJJRNF-GRYCIOLGSA-N 2 0 214.353 1.125 20 0 BDADRP CCCC[C@H](C)[N@H+](C)C[C@H](O)CN(C)C1CC1 ZINC000310120216 347234505 /nfs/dbraw/zinc/23/45/05/347234505.db2.gz DJZWWAJUVDNHDJ-JSGCOSHPSA-N 2 0 242.407 1.952 20 0 BDADRP Cc1nc(CN2C[C@H]3CC[N@@H+](C)[C@H]3C2)[nH]c1C ZINC000628299338 347422009 /nfs/dbraw/zinc/42/20/09/347422009.db2.gz MDSHWBKPPFUYBL-NEPJUHHUSA-N 2 0 234.347 1.162 20 0 BDADRP COCC[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786260 347557215 /nfs/dbraw/zinc/55/72/15/347557215.db2.gz LIUSPJCOMRPVMC-UHFFFAOYSA-N 2 0 228.380 1.685 20 0 BDADRP C[C@@H](O)C[C@@H]1CCC[N@@H+]1CCn1ccnc1 ZINC000160353116 347564694 /nfs/dbraw/zinc/56/46/94/347564694.db2.gz ZXBXLPRMPPPLBN-NEPJUHHUSA-N 2 0 223.320 1.118 20 0 BDADRP CC[C@H]1C[N@H+](CCC(=O)OC(C)C)CC[C@@H]1[NH3+] ZINC000592488985 347787187 /nfs/dbraw/zinc/78/71/87/347787187.db2.gz OOVPSCYXLQZYFI-RYUDHWBXSA-N 2 0 242.363 1.387 20 0 BDADRP CC[NH+](CC)[C@H]1CCN(C(=O)CCCC[NH3+])C1 ZINC000070203788 349977090 /nfs/dbraw/zinc/97/70/90/349977090.db2.gz NVABTRGEBKNUGQ-LBPRGKRZSA-N 2 0 241.379 1.058 20 0 BDADRP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@H](C)O)c1 ZINC000577364891 365934107 /nfs/dbraw/zinc/93/41/07/365934107.db2.gz GZQSEEHLQBITRR-LBPRGKRZSA-N 2 0 236.359 1.609 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000577395145 365944510 /nfs/dbraw/zinc/94/45/10/365944510.db2.gz JSBSTNVESPKSNJ-AWEZNQCLSA-N 3 0 233.359 1.377 20 0 BDADRP Cc1ccccc1[C@H](C)[NH2+]C[C@@H](O)CN(C)C ZINC000049525897 179337745 /nfs/dbraw/zinc/33/77/45/179337745.db2.gz QYHGCXPTEGKIOF-QWHCGFSZSA-N 2 0 236.359 1.568 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@]1(C)CCCC[C@H]1C ZINC000308710375 348101756 /nfs/dbraw/zinc/10/17/56/348101756.db2.gz NHRJWLLRJLWZEZ-MCIONIFRSA-N 2 0 242.407 1.857 20 0 BDADRP CS[C@@H]1CC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594614194 348083235 /nfs/dbraw/zinc/08/32/35/348083235.db2.gz JHLWBUUJDYVIMJ-WHOHXGKFSA-N 2 0 228.405 1.810 20 0 BDADRP CS[C@H]1CC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594614192 348083257 /nfs/dbraw/zinc/08/32/57/348083257.db2.gz JHLWBUUJDYVIMJ-KXNHARMFSA-N 2 0 228.405 1.810 20 0 BDADRP C[C@@H](CSCCF)[NH2+]CCC[NH+](C)C ZINC000595006412 348157544 /nfs/dbraw/zinc/15/75/44/348157544.db2.gz JQNGUXVVTSWNQL-JTQLQIEISA-N 2 0 222.373 1.619 20 0 BDADRP Cc1cccnc1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000228363455 179378851 /nfs/dbraw/zinc/37/88/51/179378851.db2.gz YGSOIUFDHDWJGW-NEPJUHHUSA-N 2 0 219.332 1.559 20 0 BDADRP Cc1cccnc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000070909078 179375217 /nfs/dbraw/zinc/37/52/17/179375217.db2.gz QDJBRVYENJVBHK-NSHDSACASA-N 2 0 205.305 1.171 20 0 BDADRP CC[C@@H](C[N@H+](C)CCC[NH+]1CCCC1)OC ZINC000419288914 192118142 /nfs/dbraw/zinc/11/81/42/192118142.db2.gz IIJOQVOJCSPJOF-ZDUSSCGKSA-N 2 0 228.380 1.829 20 0 BDADRP C[C@H](C[C@H](C)O)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623489141 362914716 /nfs/dbraw/zinc/91/47/16/362914716.db2.gz RQLNNGXOVSBVNX-WOPDTQHZSA-N 2 0 228.380 1.608 20 0 BDADRP CC(C)OCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623491357 362915643 /nfs/dbraw/zinc/91/56/43/362915643.db2.gz QYDUMFDGFROAFG-LBPRGKRZSA-N 2 0 228.380 1.874 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](O)C2(C)C)CC1(C)C ZINC000623497128 362921013 /nfs/dbraw/zinc/92/10/13/362921013.db2.gz YEHJCAWXROBTPW-QJPTWQEYSA-N 2 0 240.391 1.608 20 0 BDADRP CSCC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595906271 348397426 /nfs/dbraw/zinc/39/74/26/348397426.db2.gz IOTZLRPNBNQHNN-LBPRGKRZSA-N 2 0 246.420 1.392 20 0 BDADRP CSCC1(CC[NH2+][C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000596649193 348605365 /nfs/dbraw/zinc/60/53/65/348605365.db2.gz CHNZLHCMOLMUQJ-QWRGUYRKSA-N 2 0 228.405 1.989 20 0 BDADRP C[C@H](O)CCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623510182 362935239 /nfs/dbraw/zinc/93/52/39/362935239.db2.gz KUISMFKGRPGVLN-NWDGAFQWSA-N 2 0 228.380 1.610 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000250822613 349180337 /nfs/dbraw/zinc/18/03/37/349180337.db2.gz GNLYEMQICJFHKK-ZOBORPQBSA-N 2 0 237.391 1.473 20 0 BDADRP CC[C@H]([NH3+])CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000449608667 201983156 /nfs/dbraw/zinc/98/31/56/201983156.db2.gz JJJZBMRTBHHSIP-ZDUSSCGKSA-N 2 0 249.358 1.215 20 0 BDADRP CN1CCC[C@@H]1C[N@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000252570678 349201150 /nfs/dbraw/zinc/20/11/50/349201150.db2.gz AHTJBQPOLWHESW-CHWSQXEVSA-N 2 0 225.380 1.012 20 0 BDADRP [NH3+]CCN1CC[C@H](Oc2ccccc2)C1 ZINC000309012125 349287221 /nfs/dbraw/zinc/28/72/21/349287221.db2.gz SFZVOOJLRYZJSE-LBPRGKRZSA-N 2 0 206.289 1.098 20 0 BDADRP COc1cccc([C@H](C)[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000251563665 538046372 /nfs/dbraw/zinc/04/63/72/538046372.db2.gz STAWXCCJSNNQBM-UBHSHLNASA-N 2 0 246.354 1.907 20 0 BDADRP C[C@H](c1cnccn1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070480065 350014792 /nfs/dbraw/zinc/01/47/92/350014792.db2.gz HNBYZAOTZSSICC-VXGBXAGGSA-N 2 0 234.347 1.598 20 0 BDADRP C[C@@H](c1cnccn1)[NH+]1CCC(CC[NH3+])CC1 ZINC000070480074 350014894 /nfs/dbraw/zinc/01/48/94/350014894.db2.gz JQLYRSDCZRFONJ-NSHDSACASA-N 2 0 234.347 1.598 20 0 BDADRP COC[C@@H](C)[NH+]1CCC(CC[NH3+])CC1 ZINC000070534499 350017520 /nfs/dbraw/zinc/01/75/20/350017520.db2.gz RAOSAQDTALDGHM-SNVBAGLBSA-N 2 0 200.326 1.082 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[NH2+]C[C@@H]1CCCO1 ZINC000040410260 191001177 /nfs/dbraw/zinc/00/11/77/191001177.db2.gz OHHNRONDYRMNFD-MNOVXSKESA-N 2 0 200.326 1.128 20 0 BDADRP C[NH2+]CCC[NH+]1CCc2ccccc2CC1 ZINC000070620769 350030279 /nfs/dbraw/zinc/03/02/79/350030279.db2.gz IADVZBVJDQKGLW-UHFFFAOYSA-N 2 0 218.344 1.697 20 0 BDADRP C[NH+](C)C[C@](C)(O)C[NH2+][C@H]1CCCC(C)(C)C1 ZINC000131493481 191013410 /nfs/dbraw/zinc/01/34/10/191013410.db2.gz UNPQROIXXOLDJX-GXTWGEPZSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)[C@@H]1CCOC1 ZINC000131885190 191018044 /nfs/dbraw/zinc/01/80/44/191018044.db2.gz DBSIATLKVPLMEP-NWDGAFQWSA-N 2 0 228.380 1.589 20 0 BDADRP COCC[C@H](C)[NH2+][C@@H]1CCN2CCCC[C@@H]12 ZINC000218636034 350098232 /nfs/dbraw/zinc/09/82/32/350098232.db2.gz MDGOXEAIPAVCSB-XQQFMLRXSA-N 2 0 226.364 1.628 20 0 BDADRP C[C@@H](C[NH2+]Cc1cccc2n[nH]cc21)C[NH+](C)C ZINC000623530370 362949648 /nfs/dbraw/zinc/94/96/48/362949648.db2.gz VZBQQGHEBNOPBC-NSHDSACASA-N 2 0 246.358 1.850 20 0 BDADRP CC[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)[C@H]1CCOC1 ZINC000132161611 191026903 /nfs/dbraw/zinc/02/69/03/191026903.db2.gz VRVFJPNNSJEBIZ-QWHCGFSZSA-N 2 0 242.407 1.979 20 0 BDADRP CC[N@H+](C)CCN[C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422722521 192442437 /nfs/dbraw/zinc/44/24/37/192442437.db2.gz YGAKNUAGHYIKAT-DZGCQCFKSA-N 2 0 249.402 1.486 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CCc1ccc2c(c1)CCO2 ZINC000422727611 192443672 /nfs/dbraw/zinc/44/36/72/192443672.db2.gz HOAJJHVYNVBPIX-GFCCVEGCSA-N 2 0 248.370 1.881 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CC2(CCO)CC2)CC[N@@H+]1C ZINC000133121813 191038039 /nfs/dbraw/zinc/03/80/39/191038039.db2.gz HWLMYZLTJWUJPR-RYUDHWBXSA-N 2 0 226.364 1.221 20 0 BDADRP CC(C)N(C)CC[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000133143324 191038171 /nfs/dbraw/zinc/03/81/71/191038171.db2.gz RMMWCCKUPRWNLS-NWDGAFQWSA-N 2 0 214.353 1.341 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000133387890 191039890 /nfs/dbraw/zinc/03/98/90/191039890.db2.gz VYMZKDPGZQTBDJ-TUAOUCFPSA-N 2 0 214.353 1.077 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000309192800 350167189 /nfs/dbraw/zinc/16/71/89/350167189.db2.gz CRDOUTMHBCPPGP-QWHCGFSZSA-N 3 0 227.396 1.435 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000083525764 350236664 /nfs/dbraw/zinc/23/66/64/350236664.db2.gz DMQJQCHNVTZWIZ-XQQFMLRXSA-N 2 0 226.364 1.615 20 0 BDADRP Cc1nccn1CCCC[N@H+]1C[C@H](O)C[C@@H]1C ZINC000336713053 180236319 /nfs/dbraw/zinc/23/63/19/180236319.db2.gz SGZRVWDJZHSCHM-WCQYABFASA-N 2 0 237.347 1.427 20 0 BDADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)CC1([NH3+])CCC1 ZINC000669511466 490397742 /nfs/dbraw/zinc/39/77/42/490397742.db2.gz JQPRHDHZOXXOQZ-LBPRGKRZSA-N 2 0 241.379 1.138 20 0 BDADRP CC[NH2+]Cc1cccc(NC(=O)C[C@@H](C)[NH3+])c1 ZINC000428558721 191089255 /nfs/dbraw/zinc/08/92/55/191089255.db2.gz IGEGEEVYNIUJBN-SNVBAGLBSA-N 2 0 235.331 1.472 20 0 BDADRP COC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000422775634 192463391 /nfs/dbraw/zinc/46/33/91/192463391.db2.gz AWEDGEJEDQOJFC-ZGVCCVRISA-N 2 0 226.364 1.530 20 0 BDADRP CC(C)[C@H](O)CC[NH2+][C@H](C)CCC[NH3+] ZINC000422779054 192464210 /nfs/dbraw/zinc/46/42/10/192464210.db2.gz IHEUUGWRIUZUOS-GHMZBOCLSA-N 2 0 202.342 1.110 20 0 BDADRP Cc1ncsc1CC[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000228079815 180308669 /nfs/dbraw/zinc/30/86/69/180308669.db2.gz SXLOFNQZYGEJKN-MWLCHTKSSA-N 2 0 239.388 1.663 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2COc3ccccc3C2)C1 ZINC000328144067 350376660 /nfs/dbraw/zinc/37/66/60/350376660.db2.gz RCVBJMBTLVVSTK-RDBSUJKOSA-N 2 0 246.354 1.850 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCC[C@@H]2O)CC[C@H]1[NH3+] ZINC000328218633 350393800 /nfs/dbraw/zinc/39/38/00/350393800.db2.gz XRXZPDBSYHRCPX-XQHKEYJVSA-N 2 0 226.364 1.207 20 0 BDADRP Cc1ncsc1C[NH2+]C1CCN(C)CC1 ZINC000070836433 180321133 /nfs/dbraw/zinc/32/11/33/180321133.db2.gz BVSZACGRFGZNEU-UHFFFAOYSA-N 2 0 225.361 1.635 20 0 BDADRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)[C@@H]1CCOC1 ZINC000132248603 191101884 /nfs/dbraw/zinc/10/18/84/191101884.db2.gz YBMINTWUQYJWDN-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](C)CC1 ZINC000309265655 323337357 /nfs/dbraw/zinc/33/73/57/323337357.db2.gz QBZXEXLZBSAJMX-CHWSQXEVSA-N 2 0 228.380 1.421 20 0 BDADRP Cc1nn(C)cc1C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000128257782 180371660 /nfs/dbraw/zinc/37/16/60/180371660.db2.gz KPHSYHIKTSWLNB-ZDUSSCGKSA-N 2 0 236.363 1.432 20 0 BDADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000248499333 191108283 /nfs/dbraw/zinc/10/82/83/191108283.db2.gz SAQSZIBOWJSVDB-SDDRHHMPSA-N 2 0 243.395 1.062 20 0 BDADRP CC(C)[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000220958240 535150633 /nfs/dbraw/zinc/15/06/33/535150633.db2.gz LNSQVRFMNHHJOJ-BFHYXJOUSA-N 2 0 240.391 1.419 20 0 BDADRP CN(CC(=O)Nc1ccccc1)C1CC([NH3+])C1 ZINC000385022624 350728876 /nfs/dbraw/zinc/72/88/76/350728876.db2.gz ORAXSUOPGAMEDX-UHFFFAOYSA-N 2 0 233.315 1.047 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CO1 ZINC000623558886 362981210 /nfs/dbraw/zinc/98/12/10/362981210.db2.gz MDFHKLQHUSSYIB-UTUOFQBUSA-N 2 0 226.364 1.626 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CO1 ZINC000623558887 362980598 /nfs/dbraw/zinc/98/05/98/362980598.db2.gz MDFHKLQHUSSYIB-WOPDTQHZSA-N 2 0 226.364 1.626 20 0 BDADRP COCC1(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623561178 362985872 /nfs/dbraw/zinc/98/58/72/362985872.db2.gz DLYQDVFTPFQZBS-LBPRGKRZSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1nc(CN(C)C[C@@H]2CCC[N@@H+]2C)[nH]c1C ZINC000628316123 351046532 /nfs/dbraw/zinc/04/65/32/351046532.db2.gz JPGMPWXAASFUQK-LBPRGKRZSA-N 2 0 236.363 1.553 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000253029907 535158384 /nfs/dbraw/zinc/15/83/84/535158384.db2.gz QPTMQSPCGKCMGM-AAVRWANBSA-N 2 0 240.391 1.514 20 0 BDADRP CC(C)C[N@H+](C[C@H](O)CN(C)C1CC1)C1CC1 ZINC000336714014 351089626 /nfs/dbraw/zinc/08/96/26/351089626.db2.gz OYKCKJABOOXYAL-CQSZACIVSA-N 2 0 240.391 1.562 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CCN1CCC(F)(F)F ZINC000063100440 351140262 /nfs/dbraw/zinc/14/02/62/351140262.db2.gz FHGMCPAUAMWOLK-SFYZADRCSA-N 2 0 210.243 1.750 20 0 BDADRP Cc1nc(C)c(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)o1 ZINC000628327195 351263701 /nfs/dbraw/zinc/26/37/01/351263701.db2.gz MUIBDRGRYOWTSL-TXEJJXNPSA-N 2 0 237.347 1.721 20 0 BDADRP CC[NH2+]Cc1cccc(NC(=O)[C@@H](C)[NH2+]CC)c1 ZINC000637808962 351645100 /nfs/dbraw/zinc/64/51/00/351645100.db2.gz NOBWYVZNVJXJDL-LLVKDONJSA-N 2 0 249.358 1.733 20 0 BDADRP CC(C)C[C@@H]([NH3+])c1noc(CCC2C[NH2+]C2)n1 ZINC000637795137 351624581 /nfs/dbraw/zinc/62/45/81/351624581.db2.gz RIKKJRSZYPBYQM-SNVBAGLBSA-N 2 0 238.335 1.268 20 0 BDADRP CCC(CC)(C[NH3+])NC(=O)[C@H]([NH3+])CCC(C)C ZINC000637840614 351695552 /nfs/dbraw/zinc/69/55/52/351695552.db2.gz POGLVSITLSYGCL-LLVKDONJSA-N 2 0 243.395 1.384 20 0 BDADRP C[NH2+]C[C@](C)(O)C[N@H+](C)CCc1cccs1 ZINC000577759731 366056943 /nfs/dbraw/zinc/05/69/43/366056943.db2.gz VGNZPMVMUFJYPO-LBPRGKRZSA-N 2 0 242.388 1.193 20 0 BDADRP C[NH2+]C[C@@](C)(O)C[N@H+](C)CCc1cccs1 ZINC000577759730 366057034 /nfs/dbraw/zinc/05/70/34/366057034.db2.gz VGNZPMVMUFJYPO-GFCCVEGCSA-N 2 0 242.388 1.193 20 0 BDADRP CC[NH2+][C@@H](C)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000637859977 351721036 /nfs/dbraw/zinc/72/10/36/351721036.db2.gz JBZDMCJTGXKTAJ-MNOVXSKESA-N 2 0 249.358 1.321 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000637867629 351731272 /nfs/dbraw/zinc/73/12/72/351731272.db2.gz VXDIOWQJQYZHGA-RYUDHWBXSA-N 2 0 241.379 1.104 20 0 BDADRP C[NH+](C)CC1CC[NH+](Cc2ccc(=O)[nH]c2)CC1 ZINC000637907261 351777073 /nfs/dbraw/zinc/77/70/73/351777073.db2.gz KEEGJDKMLVUFCR-UHFFFAOYSA-N 2 0 249.358 1.561 20 0 BDADRP CC[NH2+][C@H](C)C(=O)NCCCC[NH+](CC)CC ZINC000638066643 351938639 /nfs/dbraw/zinc/93/86/39/351938639.db2.gz JMOCEFNXICSOGN-GFCCVEGCSA-N 2 0 243.395 1.223 20 0 BDADRP CC(C)CC[C@@H]([NH3+])C(=O)N[C@H](C)CC[NH+](C)C ZINC000638084419 351960007 /nfs/dbraw/zinc/96/00/07/351960007.db2.gz LJBXYHPAWVMSAG-VXGBXAGGSA-N 2 0 243.395 1.206 20 0 BDADRP C[C@H](CC1CCCC1)[NH2+]CCN1CC[NH2+]CC1 ZINC000414868090 351968431 /nfs/dbraw/zinc/96/84/31/351968431.db2.gz HFOXSRBCIQGBMY-CYBMUJFWSA-N 2 0 239.407 1.450 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000638197409 352059205 /nfs/dbraw/zinc/05/92/05/352059205.db2.gz JOMMECPTMKDSOO-TUAOUCFPSA-N 2 0 241.379 1.136 20 0 BDADRP CCN1CCC[C@@H]1C[NH2+]CCC[C@@H]1CCO1 ZINC000638280384 352116072 /nfs/dbraw/zinc/11/60/72/352116072.db2.gz FCQAYJLLNHYZTG-CHWSQXEVSA-N 2 0 226.364 1.629 20 0 BDADRP CCN1CCC[C@H]1C[NH2+]C[C@@](C)(OC)C1CC1 ZINC000638280838 352117288 /nfs/dbraw/zinc/11/72/88/352117288.db2.gz KVGZGGYFIRFUCI-UONOGXRCSA-N 2 0 240.391 1.875 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+]CCC[C@@H]2CCO2)C1 ZINC000638381002 352191152 /nfs/dbraw/zinc/19/11/52/352191152.db2.gz HCINXGGAFNTFPG-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP CC[NH2+][C@@H](C)C(=O)NCc1ccccc1C[NH2+]C ZINC000638385074 352195028 /nfs/dbraw/zinc/19/50/28/352195028.db2.gz IQSSTNILALDWCX-NSHDSACASA-N 2 0 249.358 1.020 20 0 BDADRP CC(C)CC[C@@H]([NH3+])C(=O)NCC[C@H](C)[NH+](C)C ZINC000638409279 352218721 /nfs/dbraw/zinc/21/87/21/352218721.db2.gz OHSXSDFNPPWNSS-NWDGAFQWSA-N 2 0 243.395 1.206 20 0 BDADRP CC[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](OC)C2CC2)C1 ZINC000638452419 352262775 /nfs/dbraw/zinc/26/27/75/352262775.db2.gz YXXQLEDBIUYAGS-JSGCOSHPSA-N 2 0 240.391 1.733 20 0 BDADRP C1C[NH2+][C@H]([C@H]2CCC[C@@H]2N[C@H]2CCC[NH2+]C2)C1 ZINC000414914965 352263337 /nfs/dbraw/zinc/26/33/37/352263337.db2.gz YTDYZJWSLIKSCR-CRWXNKLISA-N 2 0 237.391 1.249 20 0 BDADRP Cc1nccn1CC[NH2+]Cc1cc(C2CC2)no1 ZINC000638459182 352268297 /nfs/dbraw/zinc/26/82/97/352268297.db2.gz XQXUENTZBAGBKT-UHFFFAOYSA-N 2 0 246.314 1.847 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+]CCC[C@@H]1CCO1 ZINC000638465780 352277672 /nfs/dbraw/zinc/27/76/72/352277672.db2.gz GIIBNNNGHZYZPQ-NWDGAFQWSA-N 2 0 214.353 1.485 20 0 BDADRP CCN(CC[NH3+])C(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000638512771 352339365 /nfs/dbraw/zinc/33/93/65/352339365.db2.gz MJKZUXZORVFAEN-CYBMUJFWSA-N 2 0 247.342 1.028 20 0 BDADRP CCOC[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)C(C)C ZINC000300364776 352561081 /nfs/dbraw/zinc/56/10/81/352561081.db2.gz OEBKYAATNJHKDU-AVGNSLFASA-N 2 0 228.380 1.907 20 0 BDADRP C[NH+](C)[C@@H](CN[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000043324440 352636366 /nfs/dbraw/zinc/63/63/66/352636366.db2.gz TXWNOZZPSONKDV-CABCVRRESA-N 2 0 247.386 1.631 20 0 BDADRP C[C@@H]1C[C@H](O)C[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000412037859 191247519 /nfs/dbraw/zinc/24/75/19/191247519.db2.gz NHSRSXIPWPCBBL-UPJWGTAASA-N 2 0 226.364 1.173 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](O)C(C)(C)C1 ZINC000334215255 352814114 /nfs/dbraw/zinc/81/41/14/352814114.db2.gz UGUUNNWUDGBBCZ-QWHCGFSZSA-N 2 0 240.391 1.564 20 0 BDADRP CC(C)[NH+](CCN[C@H]1C[N@H+](C)C[C@H]1C)C(C)C ZINC000342852768 352874823 /nfs/dbraw/zinc/87/48/23/352874823.db2.gz RTHXDQYYVXHYCO-KGLIPLIRSA-N 2 0 241.423 1.645 20 0 BDADRP Cc1nc2ccccn2c1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000334319369 352949719 /nfs/dbraw/zinc/94/97/19/352949719.db2.gz XTJCKZNVAQJECJ-GFCCVEGCSA-N 2 0 244.342 1.423 20 0 BDADRP C[N@H+]1CC=C(C[NH2+]Cc2cccc(F)c2N)CC1 ZINC000638838050 353022359 /nfs/dbraw/zinc/02/23/59/353022359.db2.gz CBNLQZTVQMLANA-UHFFFAOYSA-N 2 0 249.333 1.759 20 0 BDADRP CCC1([NH+](C)C)CCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000638975717 353181036 /nfs/dbraw/zinc/18/10/36/353181036.db2.gz NZQQWLZCOMXOBP-UHFFFAOYSA-N 2 0 241.379 1.057 20 0 BDADRP CCC[NH2+][C@@H](C)C(=O)NC1(C[NH3+])CCCCC1 ZINC000638996612 353232861 /nfs/dbraw/zinc/23/28/61/353232861.db2.gz LWZWTHNMYLDYKS-NSHDSACASA-N 2 0 241.379 1.152 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@H]1CCC[C@H]1C[NH3+] ZINC000250224442 353269795 /nfs/dbraw/zinc/26/97/95/353269795.db2.gz FFHSXKIHQBZPJP-XQQFMLRXSA-N 2 0 225.380 1.188 20 0 BDADRP CC(C)[C@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000020128434 188232140 /nfs/dbraw/zinc/23/21/40/188232140.db2.gz NYZZKSMWPLEAFY-ZDUSSCGKSA-N 2 0 227.396 1.258 20 0 BDADRP CC(C)[C@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000120855193 188249137 /nfs/dbraw/zinc/24/91/37/188249137.db2.gz HKMUALFQDORWJB-KGLIPLIRSA-N 2 0 241.423 1.504 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CC[NH+](C2CCC2)CC1 ZINC000336894413 188255966 /nfs/dbraw/zinc/25/59/66/188255966.db2.gz LXOFUNITIYOKAE-CYBMUJFWSA-N 2 0 239.407 1.530 20 0 BDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@@H]1CCCOC1 ZINC000126797920 188258110 /nfs/dbraw/zinc/25/81/10/188258110.db2.gz KCHNGLLKAJYCLZ-QWHCGFSZSA-N 2 0 228.380 1.718 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000343273517 353302273 /nfs/dbraw/zinc/30/22/73/353302273.db2.gz YEDFAKQPIGBWDK-DYEKYZERSA-N 2 0 237.391 1.010 20 0 BDADRP CC(C)[N@@H+](C)C[C@@H](C)N[C@@H]1C[NH+](C)C[C@H]1C ZINC000336668529 188340701 /nfs/dbraw/zinc/34/07/01/188340701.db2.gz MNWRYBNTBXWADJ-JHJVBQTASA-N 2 0 227.396 1.255 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCS[C@H](C)[C@@H]1C ZINC000132473253 353381238 /nfs/dbraw/zinc/38/12/38/353381238.db2.gz KEBADUWQWXQQKJ-VHSXEESVSA-N 2 0 202.367 1.422 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCSC2)CC1 ZINC000020188984 188351713 /nfs/dbraw/zinc/35/17/13/188351713.db2.gz GINKDYWMECDJNR-LBPRGKRZSA-N 2 0 228.405 1.954 20 0 BDADRP CCC[C@@H](C[NH2+][C@@H]1CCn2ccnc2C1)OC ZINC000639072624 353388992 /nfs/dbraw/zinc/38/89/92/353388992.db2.gz YAWGSQRECUSQPM-NEPJUHHUSA-N 2 0 237.347 1.603 20 0 BDADRP CC[C@@H](O)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000336774699 188360516 /nfs/dbraw/zinc/36/05/16/188360516.db2.gz XDUYGMMSNYDTNQ-GFCCVEGCSA-N 2 0 228.380 1.610 20 0 BDADRP C(C[N@@H+]1CCO[C@@H]2CCC[C@@H]21)C1CC[NH2+]CC1 ZINC000043425690 188397391 /nfs/dbraw/zinc/39/73/91/188397391.db2.gz RDXMTKJGSMBUBN-UONOGXRCSA-N 2 0 238.375 1.629 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCSC1 ZINC000231347149 353595412 /nfs/dbraw/zinc/59/54/12/353595412.db2.gz MNZUIWMKZQMCCZ-AXFHLTTASA-N 2 0 214.378 1.599 20 0 BDADRP CC[C@H](C)[C@@H](C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)OC ZINC000639113868 353715054 /nfs/dbraw/zinc/71/50/54/353715054.db2.gz YIQBPGBHWYZLFW-IGQOVBAYSA-N 2 0 240.391 1.541 20 0 BDADRP CCC[NH+]1CCC(NC[C@H]2CCC[NH2+]2)CC1 ZINC000233019295 353784502 /nfs/dbraw/zinc/78/45/02/353784502.db2.gz RWXUCKAMBRPPIB-CYBMUJFWSA-N 2 0 225.380 1.202 20 0 BDADRP CC(C)COCC[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000232657332 353745516 /nfs/dbraw/zinc/74/55/16/353745516.db2.gz ZDKLBYJSAPFWSX-CYBMUJFWSA-N 2 0 228.380 1.862 20 0 BDADRP Cc1cc(CN2C[C@@H](C[NH3+])[C@H](C)C2)on1 ZINC000630079151 363287072 /nfs/dbraw/zinc/28/70/72/363287072.db2.gz WRHOOQVQPLXPQK-PSASIEDQSA-N 2 0 209.293 1.010 20 0 BDADRP CC[N@H+](CCN[C@@H]1C[NH+](CC)C[C@@H]1C)C(C)C ZINC000343907992 354036618 /nfs/dbraw/zinc/03/66/18/354036618.db2.gz GYKIPJIGCZZOBM-UONOGXRCSA-N 2 0 241.423 1.647 20 0 BDADRP CC[C@](C)(C[N@H+](C)CCC[NH+](C)C)OC ZINC000639167695 354038984 /nfs/dbraw/zinc/03/89/84/354038984.db2.gz JPVZIHWOBDWIBR-GFCCVEGCSA-N 2 0 216.369 1.685 20 0 BDADRP CCC[C@@H](C[N@H+](C)CCC[NH+](C)C)OC ZINC000639168420 354073310 /nfs/dbraw/zinc/07/33/10/354073310.db2.gz UCFIMRHCVWTYRG-LBPRGKRZSA-N 2 0 216.369 1.685 20 0 BDADRP CCN1C[C@H]([NH2+]C[C@@H](C)N(C)C2CC2)[C@@H](C)C1 ZINC000344221563 354182212 /nfs/dbraw/zinc/18/22/12/354182212.db2.gz MTMCXZPOIDNAAN-SCRDCRAPSA-N 2 0 239.407 1.399 20 0 BDADRP COC[C@H](CC(C)C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000344300748 354212133 /nfs/dbraw/zinc/21/21/33/354212133.db2.gz QFZFJODDUSWQPU-AWEZNQCLSA-N 2 0 240.391 1.899 20 0 BDADRP CC[N@H+](CCC[NH+](C)C)C[C@H](OC)C1CC1 ZINC000639175986 354212795 /nfs/dbraw/zinc/21/27/95/354212795.db2.gz SPIGOPOTMLFIND-ZDUSSCGKSA-N 2 0 228.380 1.685 20 0 BDADRP c1[nH+]cn2cc(C[NH2+][C@@H]3CCCOCC3)ccc12 ZINC000334597007 354230866 /nfs/dbraw/zinc/23/08/66/354230866.db2.gz NCDKLLFNHWCLDT-CYBMUJFWSA-N 2 0 245.326 1.993 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000334598692 354233745 /nfs/dbraw/zinc/23/37/45/354233745.db2.gz XIDAWGTWFTTZHA-AAEUAGOBSA-N 3 0 225.380 1.045 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000334598695 354233754 /nfs/dbraw/zinc/23/37/54/354233754.db2.gz XIDAWGTWFTTZHA-YPMHNXCESA-N 3 0 225.380 1.045 20 0 BDADRP C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000578005660 366173875 /nfs/dbraw/zinc/17/38/75/366173875.db2.gz FGZKQYBEBMBHBP-BBBLOLIVSA-N 2 0 235.331 1.628 20 0 BDADRP [NH3+]C1(C(=O)Nc2ccc3c(c2)C[NH2+]C3)CCCC1 ZINC000334653650 354447242 /nfs/dbraw/zinc/44/72/42/354447242.db2.gz NHECXYPEKFQGNE-UHFFFAOYSA-N 2 0 245.326 1.500 20 0 BDADRP Cc1n[nH]cc1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000334649519 354440964 /nfs/dbraw/zinc/44/09/64/354440964.db2.gz HDSDSYODFGXFFG-KOLCDFICSA-N 2 0 222.336 1.277 20 0 BDADRP Cc1c[nH+]ccc1N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000335080234 354642376 /nfs/dbraw/zinc/64/23/76/354642376.db2.gz WDGDEYBSFZQNEC-GXTWGEPZSA-N 2 0 231.343 1.920 20 0 BDADRP CC(C)[N@H+](C[C@@H](C)O)C[C@H]1CCC[NH2+]C1 ZINC000232671213 363378670 /nfs/dbraw/zinc/37/86/70/363378670.db2.gz ZEILZACDJMXSQA-NEPJUHHUSA-N 2 0 214.353 1.077 20 0 BDADRP CCCCOCC[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000232987293 363390983 /nfs/dbraw/zinc/39/09/83/363390983.db2.gz VAAFPPUHHRWUOK-LBPRGKRZSA-N 2 0 214.353 1.474 20 0 BDADRP CC[C@H](C[NH2+]C[C@H]1C[NH2+]C[C@H]1O)c1ccccc1 ZINC000346000986 354837124 /nfs/dbraw/zinc/83/71/24/354837124.db2.gz BVRCKROUPYLCER-VHDGCEQUSA-N 2 0 248.370 1.350 20 0 BDADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000335145944 354856238 /nfs/dbraw/zinc/85/62/38/354856238.db2.gz KTOMOXBEHYYKRI-NPZBDFSRSA-N 3 0 237.391 1.329 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)C[NH3+])C1(C)C ZINC000233745469 363407693 /nfs/dbraw/zinc/40/76/93/363407693.db2.gz NQRLZTZMHOHKKL-HBNTYKKESA-N 2 0 214.353 1.374 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCSC1 ZINC000234744610 363429252 /nfs/dbraw/zinc/42/92/52/363429252.db2.gz AYADCPJBGMUAFR-GHMZBOCLSA-N 2 0 232.393 1.226 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@@H]1C ZINC000234806998 363431962 /nfs/dbraw/zinc/43/19/62/363431962.db2.gz HMSGUIDVKUAQSV-SDDRHHMPSA-N 2 0 214.353 1.519 20 0 BDADRP Cc1c[nH+]ccc1N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000335165902 354922867 /nfs/dbraw/zinc/92/28/67/354922867.db2.gz KNPKHUGQMYYIRB-NEPJUHHUSA-N 2 0 231.343 1.849 20 0 BDADRP Cc1ccc(NC(=O)NC[C@H]2CCC[NH2+]2)c(C)n1 ZINC000335166973 354925927 /nfs/dbraw/zinc/92/59/27/354925927.db2.gz CDVJLYOESWCGDV-LLVKDONJSA-N 2 0 248.330 1.572 20 0 BDADRP Cn1cc2c(n1)CCC[C@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000335171194 354935546 /nfs/dbraw/zinc/93/55/46/354935546.db2.gz XKYFGXRNSFMMJI-WCQYABFASA-N 2 0 248.374 1.529 20 0 BDADRP Cn1cc2c(n1)CCC[C@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000335171192 354935614 /nfs/dbraw/zinc/93/56/14/354935614.db2.gz XKYFGXRNSFMMJI-DGCLKSJQSA-N 2 0 248.374 1.529 20 0 BDADRP C[C@H](CCC1CC1)[NH2+]C[C@H]1CN(C)CCN1C ZINC000346593058 354987014 /nfs/dbraw/zinc/98/70/14/354987014.db2.gz KTVSHSOUXOFKNA-OCCSQVGLSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@H]([NH2+][C@H]1CCn2ccnc2C1)c1ccccn1 ZINC000335199594 355032727 /nfs/dbraw/zinc/03/27/27/355032727.db2.gz IAFIZVQNFVFKBE-RYUDHWBXSA-N 2 0 242.326 1.944 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccc2c1OCO2 ZINC000346688328 355013762 /nfs/dbraw/zinc/01/37/62/355013762.db2.gz XUQGCDBGGRGBNL-MNOVXSKESA-N 2 0 248.326 1.584 20 0 BDADRP Cc1n[nH]c(C)c1CN(C)CC(C)(C)C[NH3+] ZINC000346693736 355075749 /nfs/dbraw/zinc/07/57/49/355075749.db2.gz PFZIPZAHOUVIFN-UHFFFAOYSA-N 2 0 224.352 1.443 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)[C@@H]2CC[NH2+]C2)c1 ZINC000335238121 355100198 /nfs/dbraw/zinc/10/01/98/355100198.db2.gz LTEIBPDBCUFTIM-LLVKDONJSA-N 2 0 233.315 1.002 20 0 BDADRP COC(=O)CC[N@H+](CC(C)C)CC(C)(C)N ZINC000346838054 355131666 /nfs/dbraw/zinc/13/16/66/355131666.db2.gz QAXAOLHLMBPJGS-UHFFFAOYSA-N 2 0 230.352 1.245 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cccc(N)c1 ZINC000335287543 355256706 /nfs/dbraw/zinc/25/67/06/355256706.db2.gz IQAGWFBJJVRPSQ-CYBMUJFWSA-N 2 0 233.359 1.747 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@H]2CCC[C@@H]2C[NH3+])CCO1 ZINC000388887749 355319533 /nfs/dbraw/zinc/31/95/33/355319533.db2.gz KTBVINQEKJJXDV-LPWJVIDDSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCCC2(O)CCC2)CC[N@@H+]1C ZINC000639277054 355353351 /nfs/dbraw/zinc/35/33/51/355353351.db2.gz RQZKOPYTUQTOEP-STQMWFEESA-N 2 0 240.391 1.754 20 0 BDADRP CO[C@@H](C[NH2+]CCC[N@H+](C)CC(C)C)C1CC1 ZINC000639287774 355396236 /nfs/dbraw/zinc/39/62/36/355396236.db2.gz AHAVEZPUAFCOAO-AWEZNQCLSA-N 2 0 242.407 1.979 20 0 BDADRP CCCC[C@H](C[NH3+])NC1CC[NH+](C(C)C)CC1 ZINC000414819418 191581513 /nfs/dbraw/zinc/58/15/13/191581513.db2.gz YRISFIWAPHQBIZ-CQSZACIVSA-N 2 0 241.423 1.966 20 0 BDADRP CC[C@H](COC)[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414993040 191643759 /nfs/dbraw/zinc/64/37/59/191643759.db2.gz CATCKYYEEXDZBF-QJPTWQEYSA-N 2 0 214.353 1.519 20 0 BDADRP COc1ccccc1C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415031914 191657488 /nfs/dbraw/zinc/65/74/88/191657488.db2.gz HKEXERUQURGRRY-AAEUAGOBSA-N 2 0 234.343 1.912 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]Cc1cnn2ccccc12 ZINC000415024083 191655729 /nfs/dbraw/zinc/65/57/29/191655729.db2.gz OEUJAUNSSDBBGF-LLVKDONJSA-N 2 0 232.331 1.551 20 0 BDADRP CC[C@H](C)C[C@H](CC)[NH2+]CCN1CC[NH2+]CC1 ZINC000414886809 191615805 /nfs/dbraw/zinc/61/58/05/191615805.db2.gz QNWUCYLWOOOCEF-KBPBESRZSA-N 2 0 241.423 1.696 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000415028979 191656910 /nfs/dbraw/zinc/65/69/10/191656910.db2.gz ZPDQCTPPTRLNRS-WOPDTQHZSA-N 3 0 213.369 1.234 20 0 BDADRP C[NH2+]Cc1ccc(N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000414968458 191636135 /nfs/dbraw/zinc/63/61/35/191636135.db2.gz CQPPNQVCMJOKAX-CYBMUJFWSA-N 2 0 233.359 1.960 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CC[NH2+][C@H](C)C1)C1CCOCC1 ZINC000415093564 191676693 /nfs/dbraw/zinc/67/66/93/191676693.db2.gz VSIGCASEYUYARS-AGIUHOORSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@]1(C[NH2+]C2CCC(C[NH3+])CC2)CCCO1 ZINC000415113807 191680175 /nfs/dbraw/zinc/68/01/75/191680175.db2.gz SPXVWBKZLIRVJE-WXRRBKDZSA-N 2 0 226.364 1.663 20 0 BDADRP COCCC[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415102835 191680760 /nfs/dbraw/zinc/68/07/60/191680760.db2.gz JZCMLZCZSJCCQX-WDEREUQCSA-N 2 0 200.326 1.001 20 0 BDADRP C([NH2+][C@H]1CCC[C@H]2OCC[C@@H]21)C1CC[NH2+]CC1 ZINC000415083858 191673412 /nfs/dbraw/zinc/67/34/12/191673412.db2.gz FXHAYRKWYQXMQJ-HZSPNIEDSA-N 2 0 238.375 1.533 20 0 BDADRP CO[C@H](C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)C1CC1 ZINC000639308139 355662906 /nfs/dbraw/zinc/66/29/06/355662906.db2.gz BSMGPSDELQDOCB-KGYLQXTDSA-N 2 0 226.364 1.341 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000639313626 355692215 /nfs/dbraw/zinc/69/22/15/355692215.db2.gz ZMVWWHZIMDASNH-KLLCGCCRSA-N 2 0 222.376 1.962 20 0 BDADRP C[N@@H+]1CCCC[C@@H](C[NH2+]CCC[C@H]2CCO2)C1 ZINC000639345923 355792692 /nfs/dbraw/zinc/79/26/92/355792692.db2.gz CUHILIBAQKNLBX-KBPBESRZSA-N 2 0 240.391 1.877 20 0 BDADRP C[N@@H+]1CCCC[C@H](C[NH2+]CCC[C@@H]2CCO2)C1 ZINC000639345928 355792805 /nfs/dbraw/zinc/79/28/05/355792805.db2.gz CUHILIBAQKNLBX-ZIAGYGMSSA-N 2 0 240.391 1.877 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000417807672 191932492 /nfs/dbraw/zinc/93/24/92/191932492.db2.gz DKEVYELKDKVORP-GHMZBOCLSA-N 2 0 241.379 1.008 20 0 BDADRP CCc1noc(C)c1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351472302 355997593 /nfs/dbraw/zinc/99/75/93/355997593.db2.gz AOZKFPBMGLWEEA-CYZMBNFOSA-N 2 0 249.358 1.715 20 0 BDADRP Cc1cnc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)o1 ZINC000351494586 356001942 /nfs/dbraw/zinc/00/19/42/356001942.db2.gz OIZUOPPDUYVGTK-AXFHLTTASA-N 2 0 221.304 1.152 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)CCCO)C1CC[NH+](C)CC1 ZINC000087358388 491086325 /nfs/dbraw/zinc/08/63/25/491086325.db2.gz AIIUITWRNIJYEH-NWDGAFQWSA-N 2 0 228.380 1.467 20 0 BDADRP CC[C@@H](COC)[NH2+]C[C@H]1CCC[N@H+](CC)C1 ZINC000167103632 355958095 /nfs/dbraw/zinc/95/80/95/355958095.db2.gz VONMUADHCBEFLA-OLZOCXBDSA-N 2 0 228.380 1.733 20 0 BDADRP CCC(CC)C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000422860799 192490698 /nfs/dbraw/zinc/49/06/98/192490698.db2.gz NCMSDKJTIZJJAM-KGYLQXTDSA-N 2 0 228.380 1.765 20 0 BDADRP CC[NH+](CC)CCCN1CCC[C@H](C[NH2+]C)C1 ZINC000420265066 192192246 /nfs/dbraw/zinc/19/22/46/192192246.db2.gz BAEPAZIHLIECDQ-CQSZACIVSA-N 2 0 241.423 1.650 20 0 BDADRP CCOC(=O)CCCC[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000420297594 192204309 /nfs/dbraw/zinc/20/43/09/192204309.db2.gz YVHRCIDEQOUZNZ-RYUDHWBXSA-N 2 0 242.363 1.389 20 0 BDADRP C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]CCC[NH3+])C1 ZINC000420303958 192206427 /nfs/dbraw/zinc/20/64/27/192206427.db2.gz OBIHMFYHNOWPRJ-DGCLKSJQSA-N 2 0 228.380 1.502 20 0 BDADRP CCN(C)C(=O)CC[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000420319136 192195338 /nfs/dbraw/zinc/19/53/38/192195338.db2.gz RFDRMLBCQVYXSH-GFCCVEGCSA-N 2 0 241.379 1.058 20 0 BDADRP CCCN(CCC[NH+](CC)CC)[C@H]1CC[NH2+]C1 ZINC000420282627 192199505 /nfs/dbraw/zinc/19/95/05/192199505.db2.gz BSOXFUAZMBMDBK-AWEZNQCLSA-N 2 0 241.423 1.792 20 0 BDADRP CC[NH+](CC)CCCN[C@](C)(C[NH3+])C1CC1 ZINC000420282118 192199864 /nfs/dbraw/zinc/19/98/64/192199864.db2.gz AQUFYDLIZXQVET-CYBMUJFWSA-N 2 0 227.396 1.435 20 0 BDADRP Cc1oncc1CN1CCC[C@H]([NH+](C)C)CC1 ZINC000336119689 134089977 /nfs/dbraw/zinc/08/99/77/134089977.db2.gz JKOKHXUSNUJUFL-ZDUSSCGKSA-N 2 0 237.347 1.899 20 0 BDADRP CCOc1cccc(C[NH2+][C@H](C)C2C[NH2+]C2)c1 ZINC000422881632 192496112 /nfs/dbraw/zinc/49/61/12/192496112.db2.gz QVUJEZUXWXKWMJ-LLVKDONJSA-N 2 0 234.343 1.783 20 0 BDADRP C[NH2+]C[C@H]1CCCN1CCC[NH+]1CCCCC1 ZINC000420290076 192202087 /nfs/dbraw/zinc/20/20/87/192202087.db2.gz LGBXCAAMCLMOMI-CQSZACIVSA-N 2 0 239.407 1.546 20 0 BDADRP CC[NH+](CC)CCCN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000420289667 192202093 /nfs/dbraw/zinc/20/20/93/192202093.db2.gz KPWIEKHIXHZSIF-UONOGXRCSA-N 3 0 241.423 1.778 20 0 BDADRP C[C@](C[NH3+])(NCCC[NH+]1CCCCC1)C1CC1 ZINC000420295569 192202879 /nfs/dbraw/zinc/20/28/79/192202879.db2.gz VOKVNAMUAVOCNF-CQSZACIVSA-N 2 0 239.407 1.579 20 0 BDADRP C[N@H+](CCOc1ccccc1)CC[C@H]1CC[NH2+]C1 ZINC000420301632 192207324 /nfs/dbraw/zinc/20/73/24/192207324.db2.gz IQLSCKDZVIWWST-CQSZACIVSA-N 2 0 248.370 1.997 20 0 BDADRP C[C@H]1CCC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420294199 192203471 /nfs/dbraw/zinc/20/34/71/192203471.db2.gz AWDCCQXHLOSCJY-QEJZJMRPSA-N 2 0 248.370 1.402 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CC[C@H]2CCCCO2)C1 ZINC000420314640 192213170 /nfs/dbraw/zinc/21/31/70/192213170.db2.gz VZJKYLMENZVUMB-RWMBFGLXSA-N 2 0 226.364 1.615 20 0 BDADRP CCC[C@@](C)(O)C[NH2+]C1CC[NH+](CC)CC1 ZINC000167584201 134095525 /nfs/dbraw/zinc/09/55/25/134095525.db2.gz JQILLGVRFVCVSK-CYBMUJFWSA-N 2 0 228.380 1.611 20 0 BDADRP CC(C)COCC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420354034 192218065 /nfs/dbraw/zinc/21/80/65/192218065.db2.gz BIEASJIRTHPZIK-AWEZNQCLSA-N 2 0 240.391 1.735 20 0 BDADRP CC[N@H+](CC[C@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]CC1 ZINC000420302713 192207593 /nfs/dbraw/zinc/20/75/93/192207593.db2.gz BVRJOYYUDDIPPR-ZIAGYGMSSA-N 3 0 239.407 1.450 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000420304904 192208542 /nfs/dbraw/zinc/20/85/42/192208542.db2.gz JKYHYQRFAJHXPV-CQSZACIVSA-N 2 0 239.407 1.404 20 0 BDADRP OCCCC[N@H+](CC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000420306633 192208685 /nfs/dbraw/zinc/20/86/85/192208685.db2.gz QQSSUTPNAWGROG-ZDUSSCGKSA-N 2 0 240.391 1.613 20 0 BDADRP CCOC[C@@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420307647 192208891 /nfs/dbraw/zinc/20/88/91/192208891.db2.gz RPVLXTDNNKBTHP-ZIAGYGMSSA-N 2 0 240.391 1.735 20 0 BDADRP c1cc(CCC[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccn1 ZINC000420309739 192210915 /nfs/dbraw/zinc/21/09/15/192210915.db2.gz FILSPTNKWCLTRK-LSDHHAIUSA-N 2 0 245.370 1.556 20 0 BDADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420312955 192210940 /nfs/dbraw/zinc/21/09/40/192210940.db2.gz JHWFDLRXPSTUHM-UONOGXRCSA-N 3 0 239.407 1.579 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420322057 192226702 /nfs/dbraw/zinc/22/67/02/192226702.db2.gz RXXLKYPLOZHKJC-AGIUHOORSA-N 3 0 225.380 1.045 20 0 BDADRP COC(=O)[C@H]1CCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420370780 192227285 /nfs/dbraw/zinc/22/72/85/192227285.db2.gz ZDPCOMSXNXKAMS-VXGBXAGGSA-N 2 0 240.347 1.014 20 0 BDADRP COC(=O)C[C@@H]1CCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420370261 192228391 /nfs/dbraw/zinc/22/83/91/192228391.db2.gz YVPGHGOQXCURCB-RYUDHWBXSA-N 2 0 240.347 1.014 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)[C@H](CN)C1 ZINC000420325903 192229370 /nfs/dbraw/zinc/22/93/70/192229370.db2.gz CACOYJMNMHDHDQ-RDBSUJKOSA-N 2 0 239.407 1.435 20 0 BDADRP C[C@@H]1CCN[C@H](C)[C@@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000420372233 192229458 /nfs/dbraw/zinc/22/94/58/192229458.db2.gz QBPRNGVKBLSEFY-YIYPIFLZSA-N 2 0 239.407 1.352 20 0 BDADRP CC[NH+](CC)CCCN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000420325739 192229824 /nfs/dbraw/zinc/22/98/24/192229824.db2.gz WSKXZPLNAHUDDG-AWEZNQCLSA-N 2 0 239.407 1.545 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCCc1ccncc1 ZINC000420357291 192220157 /nfs/dbraw/zinc/22/01/57/192220157.db2.gz HCPNFXJHEXKLPG-CQSZACIVSA-N 2 0 247.386 1.992 20 0 BDADRP CC[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420359383 192222707 /nfs/dbraw/zinc/22/27/07/192222707.db2.gz VUNPQNIZZWRGDX-STQMWFEESA-N 2 0 240.322 1.528 20 0 BDADRP C[C@@H]1CN(CCOc2cccc(F)c2)C[C@H]1[NH3+] ZINC000420364211 192224735 /nfs/dbraw/zinc/22/47/35/192224735.db2.gz IJSHHKGJSIPVGH-ZWNOBZJWSA-N 2 0 238.306 1.484 20 0 BDADRP C[C@@H]([NH2+]CCOCC[NH3+])c1ccccc1Cl ZINC000420366567 192225422 /nfs/dbraw/zinc/22/54/22/192225422.db2.gz GDILTMFVFQRFLL-SNVBAGLBSA-N 2 0 242.750 1.966 20 0 BDADRP COCC[C@@H]1CCCC[N@H+](C[C@@H](C)N)C1 ZINC000420368225 192225626 /nfs/dbraw/zinc/22/56/26/192225626.db2.gz HSUGVELHUIAPBK-NEPJUHHUSA-N 2 0 214.353 1.472 20 0 BDADRP CC(C)OCC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420404458 192237875 /nfs/dbraw/zinc/23/78/75/192237875.db2.gz SFFRMXBPRWNUMN-KGLIPLIRSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)[C@@H]1CCCO1 ZINC000420404178 192237913 /nfs/dbraw/zinc/23/79/13/192237913.db2.gz LUQACCSGQIRIAZ-TUAOUCFPSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H]([NH2+]CCOCC[NH3+])c1ccccc1 ZINC000420403957 192238099 /nfs/dbraw/zinc/23/80/99/192238099.db2.gz LPOCLZVBWBBFIS-LLVKDONJSA-N 2 0 208.305 1.313 20 0 BDADRP C[C@@H]1CC[N@H+](CCOCC(F)F)C[C@@H]1C[NH3+] ZINC000420408515 192239738 /nfs/dbraw/zinc/23/97/38/192239738.db2.gz PHWKMMZBPMNWJK-ZJUUUORDSA-N 2 0 236.306 1.185 20 0 BDADRP CC[C@H]1CCC[C@@H]1[NH2+]CCOCC[NH3+] ZINC000420412106 192239926 /nfs/dbraw/zinc/23/99/26/192239926.db2.gz SCOUSXJMRAAMGT-QWRGUYRKSA-N 2 0 200.326 1.130 20 0 BDADRP CC(C)C[C@H]1OCCC[C@@H]1[NH2+]CCC[NH3+] ZINC000420414066 192241128 /nfs/dbraw/zinc/24/11/28/192241128.db2.gz UGBSTMRXPVBDGZ-NWDGAFQWSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)[C@@H]1CCCOC1 ZINC000420414069 192241172 /nfs/dbraw/zinc/24/11/72/192241172.db2.gz UGXDEWPLUVGMDG-BFHYXJOUSA-N 2 0 240.391 1.781 20 0 BDADRP COC[C@H]1CCCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420377560 192233918 /nfs/dbraw/zinc/23/39/18/192233918.db2.gz SNHMBRHWTRQRQO-KGLIPLIRSA-N 2 0 240.391 1.735 20 0 BDADRP CC(C)[C@@H](O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000336158639 134106817 /nfs/dbraw/zinc/10/68/17/134106817.db2.gz IHTCSNPKXRIEML-UONOGXRCSA-N 2 0 240.391 1.421 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2C[C@@H](O)C2)C[C@H]1C ZINC000420917781 192273471 /nfs/dbraw/zinc/27/34/71/192273471.db2.gz UBMCZXRWUHQAEV-MQYQWHSLSA-N 2 0 240.391 1.562 20 0 BDADRP C[N@H+](C[C@H]1C[C@@H](O)C1)C[C@H]1CCC[NH+](C)C1 ZINC000420918226 192273393 /nfs/dbraw/zinc/27/33/93/192273393.db2.gz VNAISRZIKMEKPA-RWMBFGLXSA-N 2 0 226.364 1.031 20 0 BDADRP CCCCOCC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252709552 535312776 /nfs/dbraw/zinc/31/27/76/535312776.db2.gz DETZAPRDIPHGPT-CHWSQXEVSA-N 2 0 228.380 1.733 20 0 BDADRP CC[NH+](CC)CCCN(C)C[C@@H]1CCC[N@@H+]1C ZINC000420992507 192292086 /nfs/dbraw/zinc/29/20/86/192292086.db2.gz CBQGWDICAFLGOA-AWEZNQCLSA-N 2 0 241.423 1.744 20 0 BDADRP CN(CC[C@H]1CCC[N@@H+]1C)C[C@H]1CCC[NH+]1C ZINC000420993788 192292300 /nfs/dbraw/zinc/29/23/00/192292300.db2.gz BDCJBOCCZPGWDC-ZIAGYGMSSA-N 2 0 239.407 1.497 20 0 BDADRP Cn1cncc1CC[N@H+](C)[C@@H]1CCCOC1 ZINC000639638000 356551753 /nfs/dbraw/zinc/55/17/53/356551753.db2.gz NEUZBSFVXOSIAO-GFCCVEGCSA-N 2 0 223.320 1.073 20 0 BDADRP C[C@@H]1CC[C@H](O)C[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000421020963 192306909 /nfs/dbraw/zinc/30/69/09/192306909.db2.gz NTVMWDWRGOHVIW-UPJWGTAASA-N 2 0 226.364 1.316 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCOc1cccc(F)c1 ZINC000422942129 192511610 /nfs/dbraw/zinc/51/16/10/192511610.db2.gz KEATYSAOUDUOEM-QWRGUYRKSA-N 2 0 240.322 1.920 20 0 BDADRP CCC(O)(CC)C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422977264 192514453 /nfs/dbraw/zinc/51/44/53/192514453.db2.gz WNPJEYYENANQAN-VHSXEESVSA-N 2 0 202.342 1.253 20 0 BDADRP CC(C)[C@H](O)C1(C[NH2+][C@H](C)CCC[NH3+])CC1 ZINC000423011848 192539411 /nfs/dbraw/zinc/53/94/11/192539411.db2.gz BQMJMGGNZOIKIG-NEPJUHHUSA-N 2 0 228.380 1.501 20 0 BDADRP CCc1cnccc1[C@@H](C)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000423015419 192540196 /nfs/dbraw/zinc/54/01/96/192540196.db2.gz KTARGGJSOOCMIX-WDEREUQCSA-N 2 0 233.359 1.903 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)CCC[NH3+])[C@H](O)C(F)(F)F ZINC000423015964 192540231 /nfs/dbraw/zinc/54/02/31/192540231.db2.gz ARQZSJISWJPFDL-CIUDSAMLSA-N 2 0 242.285 1.405 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCCCC[C@H]2[NH3+])CCO1 ZINC000423014729 192540884 /nfs/dbraw/zinc/54/08/84/192540884.db2.gz JDZAJNZPLVQFLP-LPWJVIDDSA-N 2 0 226.364 1.804 20 0 BDADRP C[NH+](C)CC1(CN[C@@H]2CCC[C@H]2[NH3+])CCCC1 ZINC000423035457 192546780 /nfs/dbraw/zinc/54/67/80/192546780.db2.gz JNJDQIJOKYENEL-CHWSQXEVSA-N 2 0 239.407 1.578 20 0 BDADRP CC[C@H]([NH2+][C@H]1CCC[C@H]1CCO)[C@@H]1CCC[NH2+]1 ZINC000423062143 192556836 /nfs/dbraw/zinc/55/68/36/192556836.db2.gz MGUSJRLDQOMPPK-XUXIUFHCSA-N 2 0 240.391 1.658 20 0 BDADRP CCOC1CC(CC[NH2+][C@@H](C)CCC[NH3+])C1 ZINC000423070416 192558131 /nfs/dbraw/zinc/55/81/31/192558131.db2.gz NGSCPSHJBRGTCA-HIFPTAJRSA-N 2 0 228.380 1.909 20 0 BDADRP COCC[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756597 356662294 /nfs/dbraw/zinc/66/22/94/356662294.db2.gz YBFRBVQWSDQZGA-UHFFFAOYSA-N 2 0 212.337 1.051 20 0 BDADRP Clc1ccc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000088287685 356657163 /nfs/dbraw/zinc/65/71/63/356657163.db2.gz DUKLHUHLNMTVDZ-RYUDHWBXSA-N 2 0 236.746 1.991 20 0 BDADRP CO[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000423117148 192573250 /nfs/dbraw/zinc/57/32/50/192573250.db2.gz UARBJPZRCIHBDT-RHYQMDGZSA-N 2 0 214.353 1.659 20 0 BDADRP CO[C@H]1CCCC[C@@H]1[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423117150 192573743 /nfs/dbraw/zinc/57/37/43/192573743.db2.gz UARBJPZRCIHBDT-WYUUTHIRSA-N 2 0 214.353 1.659 20 0 BDADRP C[NH+]1CCC2(CC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC000639755891 356660050 /nfs/dbraw/zinc/66/00/50/356660050.db2.gz QIJSEWIVNHTPMF-UHFFFAOYSA-N 2 0 234.347 1.327 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000167614966 134153290 /nfs/dbraw/zinc/15/32/90/134153290.db2.gz OUZHBLCFIWAQMT-WUHRBBMRSA-N 2 0 228.380 1.323 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)C1CC1 ZINC000423133446 192580078 /nfs/dbraw/zinc/58/00/78/192580078.db2.gz KMNCWPMVABKWOE-KGYLQXTDSA-N 2 0 226.364 1.389 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](CO)C1CC1 ZINC000423134189 192581890 /nfs/dbraw/zinc/58/18/90/192581890.db2.gz DMIQXNUANIWUEO-XQQFMLRXSA-N 2 0 226.364 1.112 20 0 BDADRP COc1ncccc1CC[NH2+][C@H](C)CCC[NH3+] ZINC000423137187 192583073 /nfs/dbraw/zinc/58/30/73/192583073.db2.gz HXZVKYMDJWFGNF-LLVKDONJSA-N 2 0 237.347 1.350 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000423138216 192583180 /nfs/dbraw/zinc/58/31/80/192583180.db2.gz SLUNKTJPVQULQG-ZJUUUORDSA-N 2 0 223.320 1.565 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCO)[C@H](C)C1 ZINC000167927269 134155100 /nfs/dbraw/zinc/15/51/00/134155100.db2.gz AXHAZJCMCNBXRN-WOPDTQHZSA-N 2 0 214.353 1.077 20 0 BDADRP CC[C@H](O)C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423124371 192576516 /nfs/dbraw/zinc/57/65/16/192576516.db2.gz GIVDECJWIQWPFF-KWCYVHTRSA-N 2 0 236.359 1.305 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](CO)C1CCCC1 ZINC000423144277 192587074 /nfs/dbraw/zinc/58/70/74/192587074.db2.gz YONFHGBUSGLXOT-NHCYSSNCSA-N 2 0 214.353 1.253 20 0 BDADRP CCc1cc(N2CC[NH+](C[C@H](C)O)CC2)cc[nH+]1 ZINC000450456089 202169390 /nfs/dbraw/zinc/16/93/90/202169390.db2.gz WTWWEEIWKSBIRV-LBPRGKRZSA-N 2 0 249.358 1.147 20 0 BDADRP CCC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000450462518 202171524 /nfs/dbraw/zinc/17/15/24/202171524.db2.gz HAVIEJWDPDRLDE-UONOGXRCSA-N 2 0 242.407 1.811 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423156826 192596259 /nfs/dbraw/zinc/59/62/59/192596259.db2.gz LQJWBEFMQNKYAY-YNEHKIRRSA-N 2 0 228.380 1.515 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCCOC1 ZINC000166565734 538724472 /nfs/dbraw/zinc/72/44/72/538724472.db2.gz ZUHZMIBACDXDDV-GFCCVEGCSA-N 2 0 214.353 1.485 20 0 BDADRP CC[NH+]1CCC(NCC[NH+]2CCCC2)CC1 ZINC000020126753 356998375 /nfs/dbraw/zinc/99/83/75/356998375.db2.gz YBPPVLPEOCNVJR-UHFFFAOYSA-N 2 0 225.380 1.156 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CNC1CC[NH+](CC)CC1 ZINC000019959684 356995783 /nfs/dbraw/zinc/99/57/83/356995783.db2.gz AGDCYDRBNLMGSA-CQSZACIVSA-N 2 0 239.407 1.545 20 0 BDADRP C[NH2+]CCCN[C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423202543 192625831 /nfs/dbraw/zinc/62/58/31/192625831.db2.gz QYTXJRBTRWSXLG-JSGCOSHPSA-N 2 0 235.375 1.144 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156252391 538775103 /nfs/dbraw/zinc/77/51/03/538775103.db2.gz VOCCZUXRNFBRGP-MJBXVCDLSA-N 2 0 241.423 1.789 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NCCC[NH3+] ZINC000389783436 357031560 /nfs/dbraw/zinc/03/15/60/357031560.db2.gz JSTMEGMHFJWMSC-DZGCQCFKSA-N 2 0 247.386 1.445 20 0 BDADRP CC(C)C[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000389822494 357045668 /nfs/dbraw/zinc/04/56/68/357045668.db2.gz QSEOACYSQGZKQG-NEPJUHHUSA-N 2 0 214.353 1.389 20 0 BDADRP CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000390678166 357111359 /nfs/dbraw/zinc/11/13/59/357111359.db2.gz YMCQCQMFIIHPGQ-FVCCEPFGSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)[NH+](C)C ZINC000623403134 357066585 /nfs/dbraw/zinc/06/65/85/357066585.db2.gz LBBYITURGHCWDC-NEPJUHHUSA-N 2 0 227.396 1.399 20 0 BDADRP CSC[C@H]1CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000399997675 357145124 /nfs/dbraw/zinc/14/51/24/357145124.db2.gz LITANOTYHFDMHO-WDEREUQCSA-N 2 0 214.378 1.423 20 0 BDADRP Cc1ncsc1CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000391126496 357122444 /nfs/dbraw/zinc/12/24/44/357122444.db2.gz DPIOXXBEUDTZFV-MNOVXSKESA-N 2 0 239.388 1.854 20 0 BDADRP CC[C@H](NC[C@@H]([NH3+])C(C)C)[C@@H]1CCC[NH2+]1 ZINC000423268105 192661029 /nfs/dbraw/zinc/66/10/29/192661029.db2.gz FZBJFIUGTFWQED-WOPDTQHZSA-N 2 0 213.369 1.090 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C(C)C)C1 ZINC000393791350 357299094 /nfs/dbraw/zinc/29/90/94/357299094.db2.gz ZDHXDVGDXZWTNG-STQMWFEESA-N 2 0 228.380 1.277 20 0 BDADRP COC1CC([NH2+]C[C@H]2CCCC[N@H+](C)C2)C1 ZINC000628425275 357253328 /nfs/dbraw/zinc/25/33/28/357253328.db2.gz GDZSKEKYFSBJOV-PNESKVBLSA-N 2 0 226.364 1.485 20 0 BDADRP CC(C)(CO)CCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000393434819 357308864 /nfs/dbraw/zinc/30/88/64/357308864.db2.gz WLXZWDSRDQKEQU-NEPJUHHUSA-N 2 0 228.380 1.645 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000582540557 357338821 /nfs/dbraw/zinc/33/88/21/357338821.db2.gz ZBALEWDJJIYHJR-MGPQQGTHSA-N 2 0 239.407 1.306 20 0 BDADRP COc1ncccc1CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000582735003 357376448 /nfs/dbraw/zinc/37/64/48/357376448.db2.gz ALJBGTCSRPZNKO-QWHCGFSZSA-N 2 0 249.358 1.492 20 0 BDADRP CCn1cc([C@H](C)[NH2+]C[C@H](C)C[NH3+])cn1 ZINC000423299399 192689416 /nfs/dbraw/zinc/68/94/16/192689416.db2.gz QBCSTFPPKTVBLS-ZJUUUORDSA-N 2 0 210.325 1.148 20 0 BDADRP C[NH2+]CC1CC[NH+](Cc2ccncc2C)CC1 ZINC000395378667 357433958 /nfs/dbraw/zinc/43/39/58/357433958.db2.gz QJRFQXGABPJMIO-UHFFFAOYSA-N 2 0 233.359 1.821 20 0 BDADRP Cc1cnccc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000395398068 357437494 /nfs/dbraw/zinc/43/74/94/357437494.db2.gz ZKZLJYQUNZYPKW-LBPRGKRZSA-N 2 0 219.332 1.561 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCc2ccn(C)n2)CC[N@@H+]1C ZINC000230898256 357578115 /nfs/dbraw/zinc/57/81/15/357578115.db2.gz WKWUASWJAZLGAA-DGCLKSJQSA-N 2 0 236.363 1.035 20 0 BDADRP COCC[C@@H](C)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429538482 538853555 /nfs/dbraw/zinc/85/35/55/538853555.db2.gz SVVJTLMQVXFJPC-OLZOCXBDSA-N 2 0 228.380 1.828 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+]C1CCC([NH3+])CC1 ZINC000230509294 357551618 /nfs/dbraw/zinc/55/16/18/357551618.db2.gz SUAJOICOLDBCTK-WXRRBKDZSA-N 2 0 228.380 1.643 20 0 BDADRP C[C@@H]([NH2+]Cc1ccn(C)c1)C1CC[NH+](C)CC1 ZINC000158586428 538865297 /nfs/dbraw/zinc/86/52/97/538865297.db2.gz LUYHAHYYMUGZLQ-GFCCVEGCSA-N 2 0 235.375 1.845 20 0 BDADRP C[C@H]1CC([NH2+]CCOCC[NH+](C)C)C[C@H](C)C1 ZINC000231676047 357618475 /nfs/dbraw/zinc/61/84/75/357618475.db2.gz IUWNCHNHSAZBGT-CHWSQXEVSA-N 2 0 242.407 1.979 20 0 BDADRP C[NH+](C)CCOCC[NH2+]C/C=C/c1ccccc1 ZINC000231676437 357619790 /nfs/dbraw/zinc/61/97/90/357619790.db2.gz SAGKYUMAMXXJHJ-RMKNXTFCSA-N 2 0 248.370 1.868 20 0 BDADRP CCc1ccc(C[NH2+]CCOCC[NH+](C)C)o1 ZINC000231676402 357619981 /nfs/dbraw/zinc/61/99/81/357619981.db2.gz LGUYAMGDTGNBSU-UHFFFAOYSA-N 2 0 240.347 1.510 20 0 BDADRP CC[C@H](C)[C@@H](O)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623416864 357860156 /nfs/dbraw/zinc/86/01/56/357860156.db2.gz KDSANHGEKWJESO-XQQFMLRXSA-N 2 0 242.407 1.856 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)O1 ZINC000398193711 357860256 /nfs/dbraw/zinc/86/02/56/357860256.db2.gz YHQBIUNIYKIXBE-DDHJBXDOSA-N 2 0 212.337 1.413 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000234701322 357826385 /nfs/dbraw/zinc/82/63/85/357826385.db2.gz SMWBRUFWSMSDIT-AGIUHOORSA-N 2 0 228.380 1.909 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(C)s1 ZINC000234794098 357828968 /nfs/dbraw/zinc/82/89/68/357828968.db2.gz JXVGXDCOCHORPE-NSHDSACASA-N 2 0 242.388 1.900 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]Cc1sccc1C ZINC000234797473 357829332 /nfs/dbraw/zinc/82/93/32/357829332.db2.gz MFONHHXHLUJQBY-NSHDSACASA-N 2 0 242.388 1.900 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCCC1(C)C ZINC000234806055 357831046 /nfs/dbraw/zinc/83/10/46/357831046.db2.gz QJAHIPPJKHTVBW-NWDGAFQWSA-N 2 0 228.380 1.909 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CC2(C)COC2)CC1(C)C ZINC000623417090 357870140 /nfs/dbraw/zinc/87/01/40/357870140.db2.gz SGFHCAHIBDLLLV-NSHDSACASA-N 2 0 226.364 1.485 20 0 BDADRP CN1CCC[C@@H]1C[N@H+](C)CC1CC[NH2+]CC1 ZINC000086188777 357872223 /nfs/dbraw/zinc/87/22/23/357872223.db2.gz QAXLCMWWHXZUGT-CYBMUJFWSA-N 2 0 225.380 1.012 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCCOC(F)F)C1 ZINC000398272082 357882112 /nfs/dbraw/zinc/88/21/12/357882112.db2.gz VJRVCRWPRTYCBB-RKDXNWHRSA-N 2 0 222.279 1.475 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000217749800 357911942 /nfs/dbraw/zinc/91/19/42/357911942.db2.gz UZZOZJXRNHKHMM-YNEHKIRRSA-N 3 0 227.396 1.576 20 0 BDADRP C([C@H]1CCC[NH2+]C1)[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000583812278 357959933 /nfs/dbraw/zinc/95/99/33/357959933.db2.gz ARJCNHXVVCRGCL-XQQFMLRXSA-N 2 0 224.348 1.097 20 0 BDADRP CC(C)(O)C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639981614 358025523 /nfs/dbraw/zinc/02/55/23/358025523.db2.gz MRNRWUCURYVARK-UHFFFAOYSA-N 2 0 240.391 1.708 20 0 BDADRP C[C@H](CO)C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639983136 358026273 /nfs/dbraw/zinc/02/62/73/358026273.db2.gz CDDDZYWARDNXHR-ZDUSSCGKSA-N 2 0 240.391 1.565 20 0 BDADRP CS[C@H](C)C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000169087334 134249284 /nfs/dbraw/zinc/24/92/84/134249284.db2.gz IGANERBFIMBAMH-ZJUUUORDSA-N 2 0 202.367 1.470 20 0 BDADRP CC[C@@H](C)N(C)CC[NH2+]C1CCC([NH3+])CC1 ZINC000217922149 134251216 /nfs/dbraw/zinc/25/12/16/134251216.db2.gz FSWPJLYREYKILQ-PNESKVBLSA-N 3 0 227.396 1.576 20 0 BDADRP CCn1ccnc1C[NH2+]CCCC[NH+](C)C ZINC000051924313 358102471 /nfs/dbraw/zinc/10/24/71/358102471.db2.gz QBVCBNJMQZAEMN-UHFFFAOYSA-N 2 0 224.352 1.334 20 0 BDADRP C[C@H](CC[NH+](C)C)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000222986782 358217079 /nfs/dbraw/zinc/21/70/79/358217079.db2.gz FZHHCERJGNSKHU-IJLUTSLNSA-N 2 0 213.369 1.186 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccno3)C[C@@H]21 ZINC000230047615 358390423 /nfs/dbraw/zinc/39/04/23/358390423.db2.gz RIYWGXPNENGPIK-ADEWGFFLSA-N 2 0 221.304 1.234 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CCC(C[NH+](C)C)CC1 ZINC000042388563 358522565 /nfs/dbraw/zinc/52/25/65/358522565.db2.gz KNFMDVXQAAPECS-AWEZNQCLSA-N 2 0 241.423 1.633 20 0 BDADRP CCN1CCC([N@H+](C)CCC[C@H](C)O)CC1 ZINC000045620278 358563900 /nfs/dbraw/zinc/56/39/00/358563900.db2.gz ZNUNBORTLPUJQW-LBPRGKRZSA-N 2 0 228.380 1.564 20 0 BDADRP C1CC1[N@@H+]1CC[C@@H](N[C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000130212765 358614249 /nfs/dbraw/zinc/61/42/49/358614249.db2.gz VXWBCPPDCUIEKU-GZBFAFLISA-N 2 0 249.402 1.440 20 0 BDADRP COc1ccc2c(c1)C[C@@H]([NH2+]CCCC[NH3+])CC2 ZINC000133238499 358748605 /nfs/dbraw/zinc/74/86/05/358748605.db2.gz ZHPZDESVYMXUDB-AWEZNQCLSA-N 2 0 248.370 1.881 20 0 BDADRP OC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000132259016 358713455 /nfs/dbraw/zinc/71/34/55/358713455.db2.gz MSQQIOHRKMWSQL-GJZGRUSLSA-N 2 0 248.370 1.179 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H](C)[C@@H](C)OC)CC1 ZINC000132242977 358713709 /nfs/dbraw/zinc/71/37/09/358713709.db2.gz KIRKVSSGXONOHF-NWDGAFQWSA-N 2 0 228.380 1.874 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000132374668 358720454 /nfs/dbraw/zinc/72/04/54/358720454.db2.gz OOMSTKVRJUOSMP-UTUOFQBUSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C1CCC1 ZINC000132629724 358731118 /nfs/dbraw/zinc/73/11/18/358731118.db2.gz SXHQFQJEIYZYPC-DGCLKSJQSA-N 2 0 226.364 1.221 20 0 BDADRP CC(C)[NH2+][C@@H]1CCCN(CCCF)C1 ZINC000308569348 491137075 /nfs/dbraw/zinc/13/70/75/491137075.db2.gz DCBDTINCJUAMBX-LLVKDONJSA-N 2 0 202.317 1.808 20 0 BDADRP COC(CN1CC[C@H](C[NH+]2CCCC2)C1)OC ZINC000136771651 358885724 /nfs/dbraw/zinc/88/57/24/358885724.db2.gz UXCKLQMCRAMCIF-GFCCVEGCSA-N 2 0 242.363 1.023 20 0 BDADRP C[C@@H](CCC[NH3+])NC(=O)c1ccc(C[NH3+])cc1 ZINC000578322374 366510881 /nfs/dbraw/zinc/51/08/81/366510881.db2.gz WIBXRTJGCMGMDP-JTQLQIEISA-N 2 0 235.331 1.003 20 0 BDADRP CC(C)OCCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000086402473 358967009 /nfs/dbraw/zinc/96/70/09/358967009.db2.gz NIWHVBPBRHKTPM-VXGBXAGGSA-N 2 0 214.353 1.661 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000086403912 358968432 /nfs/dbraw/zinc/96/84/32/358968432.db2.gz DYHJSEKTZJQUFY-IRCOFANPSA-N 2 0 212.337 1.413 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)C1(C)C ZINC000423361149 192732190 /nfs/dbraw/zinc/73/21/90/192732190.db2.gz MCUDFVZLIAMCTA-UPJWGTAASA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CCCO1 ZINC000423429298 192752103 /nfs/dbraw/zinc/75/21/03/192752103.db2.gz SIHADAMQLYVWKR-SYQHCUMBSA-N 2 0 240.391 1.909 20 0 BDADRP CC(C)[C@@H](CO)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623441340 359334155 /nfs/dbraw/zinc/33/41/55/359334155.db2.gz NVWSJZTVCBUNHM-NWDGAFQWSA-N 2 0 228.380 1.466 20 0 BDADRP C[C@@H](C[NH3+])N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423383187 192759716 /nfs/dbraw/zinc/75/97/16/192759716.db2.gz DVBWSCHKIBVOKH-XXILOJSOSA-N 2 0 205.305 1.068 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)[C@H]1CCC[NH2+]1 ZINC000423461970 192779933 /nfs/dbraw/zinc/77/99/33/192779933.db2.gz DAXXMXQLFQRZJO-ZDEQEGDKSA-N 3 0 225.380 1.234 20 0 BDADRP C1CCC2(C1)[C@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)[C@@H]1CCO[C@@H]12 ZINC000423433050 192767904 /nfs/dbraw/zinc/76/79/04/192767904.db2.gz MUOKWVPKTHUGLV-KKKKKVIPSA-N 2 0 248.370 1.142 20 0 BDADRP COCCC[C@@H](C)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423478255 192788350 /nfs/dbraw/zinc/78/83/50/192788350.db2.gz KWDMHKMKYACOBQ-CHWSQXEVSA-N 2 0 228.380 1.923 20 0 BDADRP CC[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC000423498290 192794767 /nfs/dbraw/zinc/79/47/67/192794767.db2.gz GRSITSBLPVBBSN-VOAKCMCISA-N 3 0 225.380 1.234 20 0 BDADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)[C@@H]1CCCOC1 ZINC000423537521 192807594 /nfs/dbraw/zinc/80/75/94/192807594.db2.gz KHINTAKVNZNTCH-GXTWGEPZSA-N 2 0 238.375 1.701 20 0 BDADRP CC(C)[C@@H](C(=O)Nc1ccc(C[NH3+])cc1)[C@H](C)[NH3+] ZINC000423539017 192808341 /nfs/dbraw/zinc/80/83/41/192808341.db2.gz HOHZMXQEBMLQOW-GXFFZTMASA-N 2 0 249.358 1.703 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423551080 192811557 /nfs/dbraw/zinc/81/15/57/192811557.db2.gz OLXCRVSIISWPMR-AAVRWANBSA-N 3 0 239.407 1.482 20 0 BDADRP c1cn(C[C@H]2CCC[N@@H+]2Cc2cnccn2)cn1 ZINC000578390312 366550428 /nfs/dbraw/zinc/55/04/28/366550428.db2.gz DMRVRGQSVMABML-CYBMUJFWSA-N 2 0 243.314 1.338 20 0 BDADRP C[NH2+]CCC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000163304241 202367046 /nfs/dbraw/zinc/36/70/46/202367046.db2.gz FDNYSCGFLJCABK-KBPBESRZSA-N 2 0 218.344 1.989 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCOC1(C)C ZINC000451241297 202384706 /nfs/dbraw/zinc/38/47/06/202384706.db2.gz JBJGNFQEGNVXBU-VXGBXAGGSA-N 2 0 226.364 1.628 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccncc1 ZINC000087646105 359921949 /nfs/dbraw/zinc/92/19/49/359921949.db2.gz GODBAERAGSOYTK-NEPJUHHUSA-N 2 0 219.332 1.732 20 0 BDADRP COC[C@H](C)C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000578600995 366604113 /nfs/dbraw/zinc/60/41/13/366604113.db2.gz MUWUOBUYRVWHMN-GFCCVEGCSA-N 2 0 240.391 1.733 20 0 BDADRP COC[C@@H](C)C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000578600996 366604384 /nfs/dbraw/zinc/60/43/84/366604384.db2.gz MUWUOBUYRVWHMN-LBPRGKRZSA-N 2 0 240.391 1.733 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089139675 359991731 /nfs/dbraw/zinc/99/17/31/359991731.db2.gz ZQMLHPWTJQVSAR-MGPQQGTHSA-N 2 0 239.407 1.578 20 0 BDADRP COCC1(CC[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000578892937 366669760 /nfs/dbraw/zinc/66/97/60/366669760.db2.gz FLDASGQJXYYAMN-NEPJUHHUSA-N 2 0 226.364 1.533 20 0 BDADRP CCN1CC[C@H]([NH2+][C@@H](C)c2ccnc(OC)c2)C1 ZINC000578905566 366672861 /nfs/dbraw/zinc/67/28/61/366672861.db2.gz DGLKQDHSOMEQMQ-AAEUAGOBSA-N 2 0 249.358 1.835 20 0 BDADRP COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])ccn1 ZINC000089146303 359992795 /nfs/dbraw/zinc/99/27/95/359992795.db2.gz WQNJWAPADNKPNZ-CHWSQXEVSA-N 2 0 249.358 1.697 20 0 BDADRP CCC(CC)(CO)C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000090800842 360090664 /nfs/dbraw/zinc/09/06/64/360090664.db2.gz MCIKLZZUXMBKOU-STQMWFEESA-N 2 0 242.407 1.715 20 0 BDADRP CN(Cc1ccnn1C)C[C@H]1CCC[N@H+](C)C1 ZINC000092253798 360159505 /nfs/dbraw/zinc/15/95/05/360159505.db2.gz JRNVFYJYCOCGEM-LBPRGKRZSA-N 2 0 236.363 1.194 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]CCCn1ccnc1 ZINC000093462946 360246063 /nfs/dbraw/zinc/24/60/63/360246063.db2.gz QUUWFZNILAUGIS-CHWSQXEVSA-N 2 0 236.363 1.393 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@@H](CC)CCO)CC1 ZINC000094949118 360328588 /nfs/dbraw/zinc/32/85/88/360328588.db2.gz ZEZHBGHNTYGAGW-ZDUSSCGKSA-N 2 0 242.407 1.859 20 0 BDADRP C[NH+](C)C1CCC([NH2+]Cc2ccc(=O)[nH]c2)CC1 ZINC000631160498 360538574 /nfs/dbraw/zinc/53/85/74/360538574.db2.gz KGTJQMKBFLRUCN-UHFFFAOYSA-N 2 0 249.358 1.750 20 0 BDADRP COc1ccc2c(c1)C[C@@H]([NH2+]CC(C)(C)[NH3+])CC2 ZINC000414802669 200764621 /nfs/dbraw/zinc/76/46/21/200764621.db2.gz LBOUTXCCHDRWMM-ZDUSSCGKSA-N 2 0 248.370 1.879 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2(C)COC2)CC[N@@H+]1C ZINC000156307829 360963786 /nfs/dbraw/zinc/96/37/86/360963786.db2.gz IHBDRLDVNRTTAW-MNOVXSKESA-N 2 0 212.337 1.095 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCCOC1 ZINC000414994299 200787809 /nfs/dbraw/zinc/78/78/09/200787809.db2.gz MBKZMPUFLLHQQJ-BFKVFCTQSA-N 2 0 238.375 1.519 20 0 BDADRP C[C@H](CN[C@H]1CC[N@H+](C)[C@H](C)C1)[NH+](C)C ZINC000156258874 360959253 /nfs/dbraw/zinc/95/92/53/360959253.db2.gz YYFYXFAXAUQNSB-UTUOFQBUSA-N 2 0 213.369 1.009 20 0 BDADRP C[C@H]1C[NH+](CC2CC[NH2+]CC2)C[C@H](C)S1 ZINC000069908581 361013835 /nfs/dbraw/zinc/01/38/35/361013835.db2.gz AKASGQVVQZAYQW-QWRGUYRKSA-N 2 0 228.405 1.812 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CC2([NH3+])CCOCC2)[C@H](C)C1 ZINC000629388072 361040047 /nfs/dbraw/zinc/04/00/47/361040047.db2.gz MJUQEZNHBVWSDL-JHJVBQTASA-N 2 0 240.391 1.909 20 0 BDADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000420398315 200847647 /nfs/dbraw/zinc/84/76/47/200847647.db2.gz GWQYFQVXFDTIAT-AAEUAGOBSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)[C@H]1CCCOC1 ZINC000420402316 200847717 /nfs/dbraw/zinc/84/77/17/200847717.db2.gz KAPAMNJMUHCASA-JSGCOSHPSA-N 2 0 240.391 1.781 20 0 BDADRP [NH3+]CCCOCC[NH2+][C@H]1CCc2ccccc2C1 ZINC000629398369 361048935 /nfs/dbraw/zinc/04/89/35/361048935.db2.gz SBAFYALWWOIRKK-HNNXBMFYSA-N 2 0 248.370 1.499 20 0 BDADRP C[C@@H](Cc1ccsc1)[NH2+]CCOCCC[NH3+] ZINC000629398741 361049430 /nfs/dbraw/zinc/04/94/30/361049430.db2.gz HDVLFULQIKQUAU-NSHDSACASA-N 2 0 242.388 1.634 20 0 BDADRP CC1(C)CCCC[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629399559 361050835 /nfs/dbraw/zinc/05/08/35/361050835.db2.gz UWFRGJTWLQYFHG-LBPRGKRZSA-N 2 0 228.380 1.910 20 0 BDADRP CC1(C[NH2+]Cc2cncc(F)c2)CC[NH2+]CC1 ZINC000414914783 219883559 /nfs/dbraw/zinc/88/35/59/219883559.db2.gz YGVIHISNAOVLSY-UHFFFAOYSA-N 2 0 237.322 1.700 20 0 BDADRP CC[C@@H](O)CC[NH2+]C1CC[NH+](CC)CC1 ZINC000157392532 361080404 /nfs/dbraw/zinc/08/04/04/361080404.db2.gz QWMVNQJOOFJIMH-GFCCVEGCSA-N 2 0 214.353 1.221 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[NH2+]CC[C@H]1C ZINC000629528518 361137299 /nfs/dbraw/zinc/13/72/99/361137299.db2.gz BCTGALVLIKVMCP-MROQNXINSA-N 2 0 225.380 1.105 20 0 BDADRP CCO[C@H](C[N@@H+]1CC[C@H]([NH3+])[C@@H](CC)C1)C1CC1 ZINC000629528444 361137416 /nfs/dbraw/zinc/13/74/16/361137416.db2.gz ZIGPMZLXGJAMBN-FPMFFAJLSA-N 2 0 240.391 1.861 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H](C)c1ccsc1 ZINC000629528878 361138128 /nfs/dbraw/zinc/13/81/28/361138128.db2.gz LZFCRPJTDUWDPX-SNVBAGLBSA-N 2 0 228.361 1.635 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1cncc(C)c1 ZINC000629529824 361141803 /nfs/dbraw/zinc/14/18/03/361141803.db2.gz NQFFDPMXRFSQHH-LBPRGKRZSA-N 2 0 237.347 1.277 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000629530317 361144604 /nfs/dbraw/zinc/14/46/04/361144604.db2.gz CKUREXNDMOEQNT-GHMZBOCLSA-N 2 0 214.353 1.247 20 0 BDADRP CCO[C@@H](C[N@@H+]1CC[C@@](C)(C[NH3+])C1)C1CC1 ZINC000629530680 361145882 /nfs/dbraw/zinc/14/58/82/361145882.db2.gz NHXYJVDIIDJGRA-STQMWFEESA-N 2 0 226.364 1.472 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000629526034 361126470 /nfs/dbraw/zinc/12/64/70/361126470.db2.gz JHVGZAISZYSROL-FIQHERPVSA-N 2 0 212.337 1.142 20 0 BDADRP COCCCC[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000158504488 361200268 /nfs/dbraw/zinc/20/02/68/361200268.db2.gz XBWYTJIPYGPKSG-NSHDSACASA-N 2 0 214.353 1.472 20 0 BDADRP COCCCC[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000158525502 361201874 /nfs/dbraw/zinc/20/18/74/361201874.db2.gz SXDNLYHRAIDRIK-GFCCVEGCSA-N 2 0 216.369 1.718 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+]CC[C@H](C)[NH3+])C1 ZINC000622044522 370673010 /nfs/dbraw/zinc/67/30/10/370673010.db2.gz JAWHPTUBKKXMET-HBNTYKKESA-N 2 0 200.326 1.271 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CC1(F)F)[C@H]1CCC[NH2+]1 ZINC000622044021 370673141 /nfs/dbraw/zinc/67/31/41/370673141.db2.gz RXRHQXOXXRVJON-KXUCPTDWSA-N 2 0 218.291 1.762 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CC1(F)F)[C@@H]1CCC[NH2+]1 ZINC000622044019 370676073 /nfs/dbraw/zinc/67/60/73/370676073.db2.gz RXRHQXOXXRVJON-GUBZILKMSA-N 2 0 218.291 1.762 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)NCC1([NH3+])CCCCC1 ZINC000428483753 201023665 /nfs/dbraw/zinc/02/36/65/201023665.db2.gz KEUBZCJVZHFSDB-LBPRGKRZSA-N 2 0 241.379 1.282 20 0 BDADRP C[C@H]([NH3+])CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000622044813 370677022 /nfs/dbraw/zinc/67/70/22/370677022.db2.gz TYVGRBKPIHNVIT-LOWDOPEQSA-N 2 0 225.380 1.234 20 0 BDADRP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CC[C@H](C)[NH3+] ZINC000622045462 370679466 /nfs/dbraw/zinc/67/94/66/370679466.db2.gz WJXBWLIMSBZZRW-SDDRHHMPSA-N 2 0 228.380 1.907 20 0 BDADRP C[C@@H](Cc1ccccc1F)[NH2+]CCC[NH3+] ZINC000162530930 361354020 /nfs/dbraw/zinc/35/40/20/361354020.db2.gz NOJANMMSRRDBSI-JTQLQIEISA-N 2 0 210.296 1.695 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CC2=CCCOC2)C1 ZINC000379738567 361381370 /nfs/dbraw/zinc/38/13/70/361381370.db2.gz WILARBMIIIEFTC-RYUDHWBXSA-N 2 0 210.321 1.193 20 0 BDADRP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CCOCCC[NH3+])C1 ZINC000629539240 361404563 /nfs/dbraw/zinc/40/45/63/361404563.db2.gz PBKKUSOCXDAAPY-AGIUHOORSA-N 2 0 228.380 1.766 20 0 BDADRP CCOCCC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429540024 201111471 /nfs/dbraw/zinc/11/14/71/201111471.db2.gz SAGHQGPTVNUJLY-ZDUSSCGKSA-N 2 0 228.380 1.829 20 0 BDADRP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629536474 361398931 /nfs/dbraw/zinc/39/89/31/361398931.db2.gz GQLYWPHPKSVVEJ-ITGUQSILSA-N 2 0 228.380 1.766 20 0 BDADRP Cc1nn(C(C)C)cc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000579354233 366768127 /nfs/dbraw/zinc/76/81/27/366768127.db2.gz UWKOMIKFYPHFHC-MNOVXSKESA-N 2 0 238.379 1.988 20 0 BDADRP Cc1nn(C(C)C)cc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000579354232 366768182 /nfs/dbraw/zinc/76/81/82/366768182.db2.gz UWKOMIKFYPHFHC-GHMZBOCLSA-N 2 0 238.379 1.988 20 0 BDADRP C[C@H](CCC1CC1)[NH2+]CCOCCC[NH3+] ZINC000629538780 361403284 /nfs/dbraw/zinc/40/32/84/361403284.db2.gz NXVCJCGYVIEDCP-LLVKDONJSA-N 2 0 214.353 1.520 20 0 BDADRP C[C@@H]1CC[C@H](N[C@@H]2C[C@H]([NH3+])c3ccccc32)C[NH2+]1 ZINC000629535831 361410781 /nfs/dbraw/zinc/41/07/81/361410781.db2.gz DGOFXPXDCUZFGE-FDRIWYBQSA-N 2 0 245.370 1.861 20 0 BDADRP C[C@@H](O)CCC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429560504 201116523 /nfs/dbraw/zinc/11/65/23/201116523.db2.gz ZHVXYBQCALZFQP-OLZOCXBDSA-N 2 0 228.380 1.564 20 0 BDADRP CCC[N@H+](C)CC(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000429588693 201121378 /nfs/dbraw/zinc/12/13/78/201121378.db2.gz LTVBHNRGVHVWCZ-NSHDSACASA-N 2 0 249.358 1.987 20 0 BDADRP [NH3+]CCCOCC[NH2+][C@@H]1CCCC12CCC2 ZINC000629540034 361414315 /nfs/dbraw/zinc/41/43/15/361414315.db2.gz RXUVBTNIBLISSW-GFCCVEGCSA-N 2 0 226.364 1.664 20 0 BDADRP CCN(CCO)CC[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000309907145 491158040 /nfs/dbraw/zinc/15/80/40/491158040.db2.gz KXRMICICJSFVFO-STQMWFEESA-N 2 0 226.364 1.079 20 0 BDADRP CC[N@@H+]1CC[C@H](N[C@@H]2CC[C@@H](C)[NH2+]C2)[C@H](C)C1 ZINC000629540999 361415271 /nfs/dbraw/zinc/41/52/71/361415271.db2.gz ZLGGRXFZBWPOFW-SYQHCUMBSA-N 3 0 239.407 1.447 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000629541252 361415411 /nfs/dbraw/zinc/41/54/11/361415411.db2.gz XJBNLNYHGMSDMA-CRWXNKLISA-N 2 0 240.391 1.766 20 0 BDADRP C[C@@H](N[C@H]1CC[C@@H](C)[NH2+]C1)c1c[nH+]ccc1N ZINC000629539593 361407169 /nfs/dbraw/zinc/40/71/69/361407169.db2.gz NAVRVXKDFOKGFI-MXWKQRLJSA-N 2 0 234.347 1.285 20 0 BDADRP Cc1cc([C@H](C)[NH2+]CCOCCC[NH3+])c(C)o1 ZINC000629534618 361407276 /nfs/dbraw/zinc/40/72/76/361407276.db2.gz BAAACMQAFUNPQF-NSHDSACASA-N 2 0 240.347 1.912 20 0 BDADRP C[C@H]([NH2+]CCOCCC[NH3+])c1ccccc1F ZINC000629535227 361408918 /nfs/dbraw/zinc/40/89/18/361408918.db2.gz BYUDLJAFFAOHCK-NSHDSACASA-N 2 0 240.322 1.842 20 0 BDADRP [NH3+]CCCOCC[NH2+][C@@H](C1CC1)C1CCC1 ZINC000629535692 361410101 /nfs/dbraw/zinc/41/01/01/361410101.db2.gz DCNAHMLHMRPDNH-CYBMUJFWSA-N 2 0 226.364 1.520 20 0 BDADRP CCC[C@H](C)CCC[NH2+]C1(CO)CC[NH2+]CC1 ZINC000629547495 361430466 /nfs/dbraw/zinc/43/04/66/361430466.db2.gz TXYHGSYNZDKEKL-ZDUSSCGKSA-N 2 0 242.407 1.907 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000629547839 361431396 /nfs/dbraw/zinc/43/13/96/361431396.db2.gz VCDHKECESMWSKS-WKSBVSIWSA-N 2 0 208.349 1.905 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000629548140 361431951 /nfs/dbraw/zinc/43/19/51/361431951.db2.gz WZVZBRMYZLHUQT-KIJLLGNVSA-N 2 0 208.349 1.905 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000629548158 361432659 /nfs/dbraw/zinc/43/26/59/361432659.db2.gz XBRHRYWQPDJYRA-RYMFRWLXSA-N 2 0 237.391 1.247 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000629549709 361443196 /nfs/dbraw/zinc/44/31/96/361443196.db2.gz UMQFGPBYKQPZPA-RFQIPJPRSA-N 2 0 238.375 1.804 20 0 BDADRP CC[C@@H]([NH2+]CCOCCC[NH3+])C(C)C ZINC000629541993 361417567 /nfs/dbraw/zinc/41/75/67/361417567.db2.gz WHKVFSIUNAQWOR-LLVKDONJSA-N 2 0 202.342 1.376 20 0 BDADRP CC[C@H](N[C@@H]1CC[C@H](C)[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000629542371 361419770 /nfs/dbraw/zinc/41/97/70/361419770.db2.gz YDRTYBVHMWTNOX-RNJOBUHISA-N 2 0 225.380 1.247 20 0 BDADRP CCC[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629564490 361459495 /nfs/dbraw/zinc/45/94/95/361459495.db2.gz LNBAQWNDAKEFFC-BDAKNGLRSA-N 2 0 224.270 1.856 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)[C@@H](C)c1ccncc1 ZINC000629570195 361459582 /nfs/dbraw/zinc/45/95/82/361459582.db2.gz JGWIQPANORXSOW-LBPRGKRZSA-N 2 0 237.347 1.310 20 0 BDADRP CC1(C)CC(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000629576598 361465651 /nfs/dbraw/zinc/46/56/51/361465651.db2.gz NPSXKURIVLWTEN-CYBMUJFWSA-N 2 0 240.391 1.469 20 0 BDADRP CC(C)CC[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629583667 361467888 /nfs/dbraw/zinc/46/78/88/361467888.db2.gz ICPLFCDVUOJULP-BETUJISGSA-N 2 0 210.365 1.964 20 0 BDADRP C[C@H]1CC(F)(F)CC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000629576776 361468177 /nfs/dbraw/zinc/46/81/77/361468177.db2.gz SXIMZBLDWRAODI-VHSXEESVSA-N 2 0 218.291 1.716 20 0 BDADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCCC2(CC2)CC1 ZINC000629586779 361475259 /nfs/dbraw/zinc/47/52/59/361475259.db2.gz VDWWUYBYJFWXDE-LBPRGKRZSA-N 2 0 226.364 1.223 20 0 BDADRP CCCC[N@H+](C)CCNC(=O)[C@H](C[NH3+])C(C)C ZINC000433168724 201163608 /nfs/dbraw/zinc/16/36/08/201163608.db2.gz ODLRBYQMGSERSL-GFCCVEGCSA-N 2 0 243.395 1.065 20 0 BDADRP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CC1CCOCC1)C2 ZINC000629593694 361484591 /nfs/dbraw/zinc/48/45/91/361484591.db2.gz IFXDPFVDZDAWTI-OKILXGFUSA-N 2 0 238.375 1.344 20 0 BDADRP [NH3+]C[C@@H]1C[N@H+](CCCF)CC[C@@H]1C(F)(F)F ZINC000629563347 361454761 /nfs/dbraw/zinc/45/47/61/361454761.db2.gz PKVORAMNVJSYNI-BDAKNGLRSA-N 2 0 242.260 1.805 20 0 BDADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCCC(F)(F)CC1 ZINC000629560103 361455474 /nfs/dbraw/zinc/45/54/74/361455474.db2.gz XGYXZXZHMTXSEW-JTQLQIEISA-N 2 0 236.306 1.078 20 0 BDADRP C[NH2+]CCC1CC[NH+](CC2=CCCOC2)CC1 ZINC000629647263 361536415 /nfs/dbraw/zinc/53/64/15/361536415.db2.gz OVSWXGCVCUPYNG-UHFFFAOYSA-N 2 0 238.375 1.655 20 0 BDADRP COCc1ccc(CNC[C@H]2CCC[NH2+]C2)o1 ZINC000629647650 361537308 /nfs/dbraw/zinc/53/73/08/361537308.db2.gz DAJFKZOYQNTGGY-NSHDSACASA-N 2 0 238.331 1.515 20 0 BDADRP Cn1ccc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)c1 ZINC000629647743 361537792 /nfs/dbraw/zinc/53/77/92/361537792.db2.gz HDRHVVLOYGFNJC-ZDUSSCGKSA-N 2 0 221.348 1.504 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000629655568 361560275 /nfs/dbraw/zinc/56/02/75/361560275.db2.gz ZTMOBAVEBBUPDG-ZDEQEGDKSA-N 3 0 225.380 1.105 20 0 BDADRP C[C@@H]1C[C@@H](C)[N@H+](CC2=CCCOC2)C[C@@H]1C[NH3+] ZINC000629648508 361540367 /nfs/dbraw/zinc/54/03/67/361540367.db2.gz QAGRBFPZLNJKRV-BZPMIXESSA-N 2 0 238.375 1.638 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629659441 361563114 /nfs/dbraw/zinc/56/31/14/361563114.db2.gz AAFNZJNBRQZTLK-NDBYEHHHSA-N 2 0 225.380 1.247 20 0 BDADRP C[C@@H](C[C@H]1CCC[NH2+]1)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629659443 361563425 /nfs/dbraw/zinc/56/34/25/361563425.db2.gz AAFNZJNBRQZTLK-XQHKEYJVSA-N 2 0 225.380 1.247 20 0 BDADRP COC1(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)CCCC1 ZINC000629648914 361541902 /nfs/dbraw/zinc/54/19/02/361541902.db2.gz CLAHFGKZZZGHFJ-NEPJUHHUSA-N 2 0 226.364 1.663 20 0 BDADRP C[C@H]([N@H+](C)CC[C@H]1CCC[NH+]1C)C(C)(C)O ZINC000448546766 201202406 /nfs/dbraw/zinc/20/24/06/201202406.db2.gz MFMPEHSLLNKQFI-NWDGAFQWSA-N 2 0 228.380 1.562 20 0 BDADRP Cc1cnccc1C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000629648637 361542171 /nfs/dbraw/zinc/54/21/71/361542171.db2.gz XXMVFMDJSASMMA-OCCSQVGLSA-N 2 0 233.359 1.868 20 0 BDADRP C[C@@H]1CC[C@@H](NCC[NH2+]C(C)(C)C)C[NH2+]1 ZINC000629659975 361564592 /nfs/dbraw/zinc/56/45/92/361564592.db2.gz KXVCNGLDKCZZJM-GHMZBOCLSA-N 2 0 213.369 1.105 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccn(C)c1 ZINC000629649180 361543502 /nfs/dbraw/zinc/54/35/02/361543502.db2.gz KXWFITCPAPOYKJ-NSHDSACASA-N 2 0 209.337 1.632 20 0 BDADRP Cc1cnccc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000629649270 361544860 /nfs/dbraw/zinc/54/48/60/361544860.db2.gz NXQGOJXCDOSFLK-ZDUSSCGKSA-N 2 0 231.343 1.622 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccn(C)c2)C1 ZINC000629652017 361549955 /nfs/dbraw/zinc/54/99/55/361549955.db2.gz SMRINGNBAKYAMF-WCQYABFASA-N 2 0 221.348 1.584 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)CC1(C)CCC1 ZINC000629653158 361551263 /nfs/dbraw/zinc/55/12/63/361551263.db2.gz GOBUSUDNDZMEDI-UHFFFAOYSA-N 2 0 214.353 1.344 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)C[C@H](C)C(C)(C)C ZINC000629653659 361553656 /nfs/dbraw/zinc/55/36/56/361553656.db2.gz LQVIPPZMJDXQGE-LBPRGKRZSA-N 2 0 230.396 1.836 20 0 BDADRP C([NH2+][C@H]1CC[NH2+]C12CCC2)[C@H]1CCSC1 ZINC000629651009 361555691 /nfs/dbraw/zinc/55/56/91/361555691.db2.gz NOIIQGKARIPXQM-MNOVXSKESA-N 2 0 226.389 1.614 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CC1=CCCOC1 ZINC000379739542 361574128 /nfs/dbraw/zinc/57/41/28/361574128.db2.gz ZREMEQCTKKJMGV-OLZOCXBDSA-N 2 0 224.348 1.440 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@H](CCF)C2)CC[NH2+]1 ZINC000629666481 361587756 /nfs/dbraw/zinc/58/77/56/361587756.db2.gz REMFRRTWIXWUHB-FRRDWIJNSA-N 2 0 244.354 1.435 20 0 BDADRP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](C[C@H]1CCSC1)C2 ZINC000629669854 361589837 /nfs/dbraw/zinc/58/98/37/361589837.db2.gz YHRSPDAFQPYQLX-UPJWGTAASA-N 2 0 240.416 1.671 20 0 BDADRP C[C@@H]([NH3+])CCC(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000434688713 201233190 /nfs/dbraw/zinc/23/31/90/201233190.db2.gz OYMADRABRCXYAR-ZJUUUORDSA-N 2 0 235.331 1.772 20 0 BDADRP [NH3+]C1CCC([NH2+]Cc2ccncc2)CC1 ZINC000051692940 181341730 /nfs/dbraw/zinc/34/17/30/181341730.db2.gz CWZZKRJIYPRLLO-UHFFFAOYSA-N 2 0 205.305 1.441 20 0 BDADRP C[NH2+][C@H](CO)c1cccc(C2=CC[NH2+]CC2)c1 ZINC000629723593 361666039 /nfs/dbraw/zinc/66/60/39/361666039.db2.gz PXMHBJFFFPEXDC-CQSZACIVSA-N 2 0 232.327 1.316 20 0 BDADRP CC(C)[N@H+](C)CCN[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000155735968 201348756 /nfs/dbraw/zinc/34/87/56/201348756.db2.gz KHIMKAGBPJIWIM-OLZOCXBDSA-N 2 0 227.396 1.399 20 0 BDADRP CC(C)[N@H+](C)CCN[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000155736086 201350218 /nfs/dbraw/zinc/35/02/18/201350218.db2.gz KHIMKAGBPJIWIM-STQMWFEESA-N 2 0 227.396 1.399 20 0 BDADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]CCC[NH3+] ZINC000437771071 201372151 /nfs/dbraw/zinc/37/21/51/201372151.db2.gz GPFOVJPQRAQJJW-LLVKDONJSA-N 2 0 246.358 1.822 20 0 BDADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCC[NH3+])C[C@H]1C ZINC000437805154 201376920 /nfs/dbraw/zinc/37/69/20/201376920.db2.gz WPMVPJFGQRFIOX-GRYCIOLGSA-N 2 0 242.363 1.293 20 0 BDADRP CC1(C)OCC[C@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000328272495 363871365 /nfs/dbraw/zinc/87/13/65/363871365.db2.gz WLXPMKLTCJQHPM-GFCCVEGCSA-N 2 0 226.364 1.629 20 0 BDADRP [NH3+]CC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000237990722 181355816 /nfs/dbraw/zinc/35/58/16/181355816.db2.gz JKRRZRQMQPAIAI-UHFFFAOYSA-N 2 0 247.342 1.222 20 0 BDADRP CC[C@@](C)([NH3+])c1cn(-c2cccc(C[NH3+])c2)nn1 ZINC000630607633 364333179 /nfs/dbraw/zinc/33/31/79/364333179.db2.gz LMNGGYSBRLPSAS-CYBMUJFWSA-N 2 0 245.330 1.310 20 0 BDADRP [NH3+]CC1(O)CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000071548809 181361238 /nfs/dbraw/zinc/36/12/38/181361238.db2.gz VCHHHBOVCDYUGK-UHFFFAOYSA-N 2 0 238.306 1.111 20 0 BDADRP CC[C@@]1(C)CN(CC[C@@H]2CCC[N@@H+]2C)CCO1 ZINC000135677812 364447173 /nfs/dbraw/zinc/44/71/73/364447173.db2.gz XWOJHTKBJPHDDU-KBPBESRZSA-N 2 0 240.391 1.972 20 0 BDADRP CC[NH+]1CCC(N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000399077582 364781027 /nfs/dbraw/zinc/78/10/27/364781027.db2.gz QIBUXCFTASOVPX-DGCLKSJQSA-N 2 0 225.380 1.201 20 0 BDADRP C[N@H+](C[C@H]1CCCC[C@H]1O)CC(C)(C)C[NH3+] ZINC000328191100 364817285 /nfs/dbraw/zinc/81/72/85/364817285.db2.gz PKWHZRJNKJCTCF-VXGBXAGGSA-N 2 0 228.380 1.454 20 0 BDADRP O[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000328317587 364826808 /nfs/dbraw/zinc/82/68/08/364826808.db2.gz CVZLSHZRIXVGMF-MGPQQGTHSA-N 2 0 238.375 1.223 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(C(N)=O)c1 ZINC000573445796 364834919 /nfs/dbraw/zinc/83/49/19/364834919.db2.gz VLXQWFWGTMIQDB-ZJUUUORDSA-N 2 0 235.331 1.001 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1C[C@@H]1CCCC[C@H]1O ZINC000328533580 364868581 /nfs/dbraw/zinc/86/85/81/364868581.db2.gz ZCNUTKSFCHQFGP-FVCCEPFGSA-N 2 0 226.364 1.207 20 0 BDADRP CC[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccn(C)n1 ZINC000573593289 364869692 /nfs/dbraw/zinc/86/96/92/364869692.db2.gz RUDNZOCSFBYSMT-LBPRGKRZSA-N 2 0 236.363 1.460 20 0 BDADRP [NH3+]CCC1CC[NH+](Cc2ccccn2)CC1 ZINC000042427599 181371576 /nfs/dbraw/zinc/37/15/76/181371576.db2.gz DDZBCLCSOYBAPS-UHFFFAOYSA-N 2 0 219.332 1.642 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C(=O)N[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000573685053 364892637 /nfs/dbraw/zinc/89/26/37/364892637.db2.gz DVPLVOSOEZHEDT-HBNTYKKESA-N 2 0 249.358 1.562 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3OCCC[C@H]23)C1 ZINC000573696605 364896300 /nfs/dbraw/zinc/89/63/00/364896300.db2.gz KNZDFSMCYAABPQ-NZEXEKPDSA-N 2 0 224.348 1.413 20 0 BDADRP [NH3+]CCCCNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000357787993 181376598 /nfs/dbraw/zinc/37/65/98/181376598.db2.gz HVYPCCSORPNLEU-NEPJUHHUSA-N 2 0 241.379 1.139 20 0 BDADRP CN(C)c1cccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000573934196 364950889 /nfs/dbraw/zinc/95/08/89/364950889.db2.gz RGZOBSJBVMAYKY-VXGBXAGGSA-N 2 0 248.374 1.507 20 0 BDADRP [NH3+]CCCC[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000037715441 181377579 /nfs/dbraw/zinc/37/75/79/181377579.db2.gz PIEIVPGVBNHCSV-UHFFFAOYSA-N 2 0 244.342 1.701 20 0 BDADRP [NH3+]CCC[NH+]1CCC(c2ccncc2)CC1 ZINC000057500933 181379540 /nfs/dbraw/zinc/37/95/40/181379540.db2.gz CRPCESUKXYDLTD-UHFFFAOYSA-N 2 0 219.332 1.610 20 0 BDADRP [NH3+]CCC[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000036732160 181380373 /nfs/dbraw/zinc/38/03/73/181380373.db2.gz FTTVVYULJWWQGA-ZDUSSCGKSA-N 2 0 226.364 1.759 20 0 BDADRP CCn1cc([C@H](C)[NH2+]CC2CC[NH2+]CC2)cn1 ZINC000574563056 365088759 /nfs/dbraw/zinc/08/87/59/365088759.db2.gz MSOUBPQUMSOASK-NSHDSACASA-N 2 0 236.363 1.553 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](CCOCC2CC2)C1 ZINC000443068983 193012266 /nfs/dbraw/zinc/01/22/66/193012266.db2.gz JCERXWVVVKLPLL-LBPRGKRZSA-N 2 0 226.364 1.474 20 0 BDADRP CCCC[N@H+](CCCO)CCC[NH+]1CCCC1 ZINC000182149029 366870326 /nfs/dbraw/zinc/87/03/26/366870326.db2.gz GSMNLWFMOXEBEX-UHFFFAOYSA-N 2 0 242.407 1.957 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3nc[nH]c3C2)C1 ZINC000575935033 365421480 /nfs/dbraw/zinc/42/14/80/365421480.db2.gz CNVSHRBEBNEZMW-MXWKQRLJSA-N 2 0 234.347 1.127 20 0 BDADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)N[C@H]1CC[NH2+]C1 ZINC000576053686 365467816 /nfs/dbraw/zinc/46/78/16/365467816.db2.gz YSQLWJCGNZOSCU-XQQFMLRXSA-N 2 0 225.380 1.249 20 0 BDADRP CC(C)[NH2+]CCCN[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000575980129 365432667 /nfs/dbraw/zinc/43/26/67/365432667.db2.gz UTHDCHIRKXVEBU-TZMCWYRMSA-N 2 0 239.407 1.447 20 0 BDADRP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000576122151 365494787 /nfs/dbraw/zinc/49/47/87/365494787.db2.gz XUHSMHVJIJABDE-FDYHWXHSSA-N 2 0 226.364 1.804 20 0 BDADRP Cn1cncc1CCC[N@H+](C)CC1(CO)CC1 ZINC000579608730 366905395 /nfs/dbraw/zinc/90/53/95/366905395.db2.gz BEIFIMBQXWRKKZ-UHFFFAOYSA-N 2 0 237.347 1.057 20 0 BDADRP CC1(C)CCC[NH2+][C@@H]1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000579731495 366996683 /nfs/dbraw/zinc/99/66/83/366996683.db2.gz LKEWAPXZGCPXNZ-JHJVBQTASA-N 2 0 239.407 1.624 20 0 BDADRP C[C@H](O)C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000579823562 367028806 /nfs/dbraw/zinc/02/88/06/367028806.db2.gz AELBKKRUPUXSPA-NSHDSACASA-N 2 0 222.332 1.219 20 0 BDADRP C[C@H]([NH2+]CCCO)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185709784 367140533 /nfs/dbraw/zinc/14/05/33/367140533.db2.gz BEJYEARRYAQAPZ-STQMWFEESA-N 2 0 240.391 1.611 20 0 BDADRP CC[NH2+]Cc1ccccc1NC(=O)CCCC[NH3+] ZINC000579958556 367103527 /nfs/dbraw/zinc/10/35/27/367103527.db2.gz JMTDEIWPOYXJQL-UHFFFAOYSA-N 2 0 249.358 1.864 20 0 BDADRP CC[C@@]1(C)CCC[N@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000580897311 367202319 /nfs/dbraw/zinc/20/23/19/367202319.db2.gz KRYSHKHBYINUHI-QWHCGFSZSA-N 2 0 228.380 1.469 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000581194252 367290584 /nfs/dbraw/zinc/29/05/84/367290584.db2.gz YFRLCPWIBWRMFN-FIQHERPVSA-N 2 0 241.379 1.101 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC000383114510 367597982 /nfs/dbraw/zinc/59/79/82/367597982.db2.gz ATFRMYOXTQQSGA-NXEZZACHSA-N 2 0 218.291 1.891 20 0 BDADRP OCCC1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000383811655 367654279 /nfs/dbraw/zinc/65/42/79/367654279.db2.gz AQMZCZBTDUHTOC-CYBMUJFWSA-N 2 0 226.364 1.080 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000384339925 367685794 /nfs/dbraw/zinc/68/57/94/367685794.db2.gz CAZVMJOMYMUHJB-FRRDWIJNSA-N 2 0 228.380 1.502 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000384545358 367698348 /nfs/dbraw/zinc/69/83/48/367698348.db2.gz HJMHFVRBNOCQAI-ZOBORPQBSA-N 2 0 242.407 1.713 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000384861437 367746706 /nfs/dbraw/zinc/74/67/06/367746706.db2.gz DMGQNJMQGYZUIE-WISYIIOYSA-N 2 0 214.353 1.482 20 0 BDADRP C[C@H](C[NH2+][C@@H]1C[C@H](C)O[C@H]1C)C[NH+]1CCCC1 ZINC000384871278 367747887 /nfs/dbraw/zinc/74/78/87/367747887.db2.gz ILMAGUZIKLLHBZ-ZOBORPQBSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)[C@H](C)O1 ZINC000384942451 367761544 /nfs/dbraw/zinc/76/15/44/367761544.db2.gz QWDAXPRWJVOJOS-WOPDTQHZSA-N 2 0 228.380 1.730 20 0 BDADRP Cc1cnccc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000385077127 367784175 /nfs/dbraw/zinc/78/41/75/367784175.db2.gz XTHJIYABESNUDG-CYBMUJFWSA-N 2 0 233.359 1.951 20 0 BDADRP CSCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000068996873 370871391 /nfs/dbraw/zinc/87/13/91/370871391.db2.gz RALFKJHUCCXARE-JTQLQIEISA-N 2 0 216.394 1.669 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@H](C)O1 ZINC000385141527 367801242 /nfs/dbraw/zinc/80/12/42/367801242.db2.gz MCMYBBJUXQJKEO-BVMMLCNSSA-N 2 0 238.375 1.767 20 0 BDADRP C[C@@H]1C[C@@H](N(C)C(=O)CCCC[NH3+])CC[N@@H+]1C ZINC000566185305 326008898 /nfs/dbraw/zinc/00/88/98/326008898.db2.gz AZNLGRBAGXCKGJ-NEPJUHHUSA-N 2 0 241.379 1.057 20 0 BDADRP CSCCC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386119856 367912360 /nfs/dbraw/zinc/91/23/60/367912360.db2.gz MWCRVPLBBZIRKH-QWRGUYRKSA-N 2 0 216.394 1.860 20 0 BDADRP C[C@H](CC(C)(C)O)[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000385965634 367891734 /nfs/dbraw/zinc/89/17/34/367891734.db2.gz GAYVGDNKEFPNLM-WOPDTQHZSA-N 2 0 228.380 1.656 20 0 BDADRP C[C@@H]([NH2+]CCCn1ccnc1)[C@H]1CCCC[NH2+]1 ZINC000386018209 367898448 /nfs/dbraw/zinc/89/84/48/367898448.db2.gz ODGGMAOKXXUTDQ-CHWSQXEVSA-N 2 0 236.363 1.393 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@H](CO)C1CCCC1 ZINC000386021972 367898852 /nfs/dbraw/zinc/89/88/52/367898852.db2.gz OVBAJZIRHHOHIX-WCQYABFASA-N 2 0 228.380 1.645 20 0 BDADRP CC[N@@H+]1CC[C@H](CN[C@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000386027234 367900541 /nfs/dbraw/zinc/90/05/41/367900541.db2.gz QAVVDMFQRATZKP-MGPQQGTHSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H](NCCC[NH+]1CCCC1)[C@H]1CCCC[NH2+]1 ZINC000386032799 367900612 /nfs/dbraw/zinc/90/06/12/367900612.db2.gz RBVPGQZAQCBAGJ-ZIAGYGMSSA-N 2 0 239.407 1.593 20 0 BDADRP C[C@H](O)CCC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386554835 367990122 /nfs/dbraw/zinc/99/01/22/367990122.db2.gz HSCUBWNSOWLDLL-SRVKXCTJSA-N 2 0 214.353 1.268 20 0 BDADRP CCOCCC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386605584 368000372 /nfs/dbraw/zinc/00/03/72/368000372.db2.gz VQQUVYNTTRCVEQ-NEPJUHHUSA-N 2 0 214.353 1.533 20 0 BDADRP CC[C@H](CN[C@@H](C)[C@@H]1CCCC[NH2+]1)OC ZINC000386612514 368001374 /nfs/dbraw/zinc/00/13/74/368001374.db2.gz WWFQEBMXFVEMOK-TUAOUCFPSA-N 2 0 214.353 1.532 20 0 BDADRP C[C@@H]1CCCC[C@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000022792821 367986026 /nfs/dbraw/zinc/98/60/26/367986026.db2.gz JEMDMFYDGKRQSR-CHWSQXEVSA-N 2 0 225.380 1.060 20 0 BDADRP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)[C@H](C)O ZINC000386879373 368031675 /nfs/dbraw/zinc/03/16/75/368031675.db2.gz LWWIKRALAYXZBE-GSVCSZOMSA-N 2 0 234.343 1.880 20 0 BDADRP C[C@]1(CN2CC[C@H]([NH+]3CCCC3)C2)CC[NH2+]C1 ZINC000110371031 368748838 /nfs/dbraw/zinc/74/88/38/368748838.db2.gz ZFYSUVJOGOHCAH-KBPBESRZSA-N 2 0 237.391 1.156 20 0 BDADRP CC[C@H](C)[NH2+]CCCC[NH+]1CCN(CC)CC1 ZINC000154513836 326147716 /nfs/dbraw/zinc/14/77/16/326147716.db2.gz JEXRTBOQFYXLRM-AWEZNQCLSA-N 2 0 241.423 1.792 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C[C@@H]2CCCOC2)C1 ZINC000111320308 368857007 /nfs/dbraw/zinc/85/70/07/368857007.db2.gz RMVQYHBINMRXKQ-KBPBESRZSA-N 2 0 240.391 1.733 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000086403734 368880259 /nfs/dbraw/zinc/88/02/59/368880259.db2.gz MMSLHJUZTVPHSI-CHWSQXEVSA-N 3 0 225.380 1.188 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCCOCC2CC2)C1 ZINC000086402433 368880359 /nfs/dbraw/zinc/88/03/59/368880359.db2.gz SYKHXYBZILOQOR-QWHCGFSZSA-N 2 0 226.364 1.663 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCc2nccs2)C1 ZINC000086404124 368880376 /nfs/dbraw/zinc/88/03/76/368880376.db2.gz MNWLDOWCVVUMAQ-NXEZZACHSA-N 2 0 225.361 1.545 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CC2CCOCC2)C1 ZINC000086404230 368881425 /nfs/dbraw/zinc/88/14/25/368881425.db2.gz JYLUWAJBZNVSSS-RYUDHWBXSA-N 2 0 212.337 1.273 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@H]2CCO[C@H]2C)C1 ZINC000631821750 368975090 /nfs/dbraw/zinc/97/50/90/368975090.db2.gz HYNWUVIMRGDYNC-WUHRBBMRSA-N 2 0 226.364 1.471 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)CO1 ZINC000623657684 368998983 /nfs/dbraw/zinc/99/89/83/368998983.db2.gz WNNUXEHPIZMDFU-JHJVBQTASA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)CO1 ZINC000623657685 368999508 /nfs/dbraw/zinc/99/95/08/368999508.db2.gz WNNUXEHPIZMDFU-UPJWGTAASA-N 2 0 226.364 1.485 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccn(C)c2)C1 ZINC000091008693 369004008 /nfs/dbraw/zinc/00/40/08/369004008.db2.gz ZGHOHYFWQIXYOJ-CQSZACIVSA-N 2 0 235.375 1.845 20 0 BDADRP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cc[nH]c2)C1 ZINC000623655864 368991962 /nfs/dbraw/zinc/99/19/62/368991962.db2.gz HTHXUFDHGVGVBO-ZDUSSCGKSA-N 2 0 221.348 1.836 20 0 BDADRP C[N@@H+]1CCCC[C@@H](C[NH2+]C2CCOCC2)C1 ZINC000623656373 368992772 /nfs/dbraw/zinc/99/27/72/368992772.db2.gz SSVPHBIYFNJAGY-LBPRGKRZSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000567646068 326238042 /nfs/dbraw/zinc/23/80/42/326238042.db2.gz SAYXFQZCFAKYDU-MLGHIDQZSA-N 2 0 226.364 1.673 20 0 BDADRP Cn1cncc1CC[N@@H+]1CCOC[C@H]1C1CC1 ZINC000459387716 203270088 /nfs/dbraw/zinc/27/00/88/203270088.db2.gz JVMMTKNUGZTZMO-ZDUSSCGKSA-N 2 0 235.331 1.073 20 0 BDADRP CC[C@H](O)C[NH2+]Cc1cnc2n1CCCC2 ZINC000567707811 326248882 /nfs/dbraw/zinc/24/88/82/326248882.db2.gz FTPWKAJDSXJBEQ-NSHDSACASA-N 2 0 223.320 1.080 20 0 BDADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCCOCC2)C1 ZINC000459725015 203343085 /nfs/dbraw/zinc/34/30/85/203343085.db2.gz AWJXLIWBAVECNP-UONOGXRCSA-N 2 0 240.391 1.877 20 0 BDADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cc[nH]n2)C1 ZINC000459737686 203346532 /nfs/dbraw/zinc/34/65/32/203346532.db2.gz RPXUJXWJTVWPDY-NSHDSACASA-N 2 0 222.336 1.231 20 0 BDADRP CCOC[C@@H](C)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459744940 203348477 /nfs/dbraw/zinc/34/84/77/203348477.db2.gz YHIOPOJZWAZBRZ-OLZOCXBDSA-N 2 0 228.380 1.733 20 0 BDADRP C[C@H]1C[C@H]([NH3+])CN1CCC[NH+]1CCCCC1 ZINC000631862221 369486276 /nfs/dbraw/zinc/48/62/76/369486276.db2.gz NFJNLPJFLTYEMC-STQMWFEESA-N 2 0 225.380 1.284 20 0 BDADRP CC[C@@H](COC)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459779629 203364463 /nfs/dbraw/zinc/36/44/63/203364463.db2.gz LLLNEIVVSCZMHG-OLZOCXBDSA-N 2 0 228.380 1.733 20 0 BDADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@@H]2CCCOC2)C1 ZINC000459744733 203351845 /nfs/dbraw/zinc/35/18/45/203351845.db2.gz XTLUFZMAESMYOS-KBPBESRZSA-N 2 0 240.391 1.735 20 0 BDADRP [NH3+]Cc1ccc(NCC2CC[NH2+]CC2)cc1 ZINC000107796878 181484360 /nfs/dbraw/zinc/48/43/60/181484360.db2.gz TVPWGKPMKXZACR-UHFFFAOYSA-N 2 0 219.332 1.557 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@H]2CCC[NH+]2C)C[C@H]1CO ZINC000621372525 370311960 /nfs/dbraw/zinc/31/19/60/370311960.db2.gz XBEQLIWEWXGXTF-HZSPNIEDSA-N 2 0 240.391 1.421 20 0 BDADRP C[C@H](CCC[NH3+])NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621658312 370415276 /nfs/dbraw/zinc/41/52/76/370415276.db2.gz FABJGXXAHKWVNP-VXGBXAGGSA-N 2 0 241.379 1.010 20 0 BDADRP CCn1cc(CC[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cn1 ZINC000621774418 370519982 /nfs/dbraw/zinc/51/99/82/370519982.db2.gz SVERGSYBRVRYMZ-WCQYABFASA-N 2 0 236.363 1.115 20 0 BDADRP CCn1cc(CCN2CCC[C@H]([NH2+]C)C2)cn1 ZINC000621774147 370519049 /nfs/dbraw/zinc/51/90/49/370519049.db2.gz LQPSNRWOVPJTHZ-ZDUSSCGKSA-N 2 0 236.363 1.129 20 0 BDADRP [NH3+][C@]12CCC[C@@H]1C[N@H+](C[C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC000621785040 370538228 /nfs/dbraw/zinc/53/82/28/370538228.db2.gz YCGDLSLHVNDTDB-ITGHMWBKSA-N 2 0 220.360 1.846 20 0 BDADRP COCCCC[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621782113 370529890 /nfs/dbraw/zinc/52/98/90/370529890.db2.gz MPCHDQJAEPJECJ-NWDGAFQWSA-N 2 0 212.337 1.226 20 0 BDADRP C[N@@H+]1CCC[C@H]1CN[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000623786534 371092700 /nfs/dbraw/zinc/09/27/00/371092700.db2.gz WMABSQNIQCQQLA-IHRRRGAJSA-N 2 0 237.391 1.297 20 0 BDADRP C[C@@H]([NH2+]CCCC[NH+](C)C)[C@@H]1CCCCO1 ZINC000623878433 371138761 /nfs/dbraw/zinc/13/87/61/371138761.db2.gz HXMVHSBXQNFNSP-OLZOCXBDSA-N 2 0 228.380 1.875 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H](O)C2)[C@@H]2CCC[C@@H]21 ZINC000624216843 371403873 /nfs/dbraw/zinc/40/38/73/371403873.db2.gz RXUAAMCHMLWNBN-NDKCEZKHSA-N 2 0 238.375 1.220 20 0 BDADRP CC(C)(C)[C@H]1CC[C@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000624339143 371487030 /nfs/dbraw/zinc/48/70/30/371487030.db2.gz MQTVSQFXIPKQEV-RWMBFGLXSA-N 2 0 240.391 1.467 20 0 BDADRP CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000624339142 371487199 /nfs/dbraw/zinc/48/71/99/371487199.db2.gz MQTVSQFXIPKQEV-AVGNSLFASA-N 2 0 240.391 1.467 20 0 BDADRP CO[C@H]1C[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000624297657 371463484 /nfs/dbraw/zinc/46/34/84/371463484.db2.gz CFQCDHBAVBOHSR-HDJSIYSDSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@@H](O)C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000230024013 371636687 /nfs/dbraw/zinc/63/66/87/371636687.db2.gz GEWBKWHIINRGGU-GFCCVEGCSA-N 2 0 222.332 1.218 20 0 BDADRP Cc1ccoc1C[NH2+]CCc1cncn1C ZINC000401707730 371801681 /nfs/dbraw/zinc/80/16/81/371801681.db2.gz FSXHCFPAIOPABF-UHFFFAOYSA-N 2 0 219.288 1.654 20 0 BDADRP C[C@H](C[S@](C)=O)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000164488516 372154532 /nfs/dbraw/zinc/15/45/32/372154532.db2.gz CBGNXDQGYRUZIW-OHUAYANFSA-N 2 0 246.420 1.073 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC[C@H](O)C(F)F)CC[N@@H+]1C ZINC000631697701 372510492 /nfs/dbraw/zinc/51/04/92/372510492.db2.gz OOMGPTHPWFIGNX-UTLUCORTSA-N 2 0 236.306 1.075 20 0 BDADRP C[C@](C[NH3+])([NH2+]C[C@@H]1CCCCO1)C1CC1 ZINC000631823153 372600339 /nfs/dbraw/zinc/60/03/39/372600339.db2.gz XKTFYJCXFZYACF-NWDGAFQWSA-N 2 0 212.337 1.273 20 0 BDADRP [NH3+]C1(C[NH2+]C[C@H]2CCC(F)(F)C2)CCC1 ZINC000631823702 372602527 /nfs/dbraw/zinc/60/25/27/372602527.db2.gz LSODZAVVLHKRLD-VIFPVBQESA-N 2 0 218.291 1.893 20 0 BDADRP C[NH2+]CCC1CC[NH+](Cc2nccnc2C)CC1 ZINC000631823569 372602719 /nfs/dbraw/zinc/60/27/19/372602719.db2.gz IMQSQXCCGBBUPD-UHFFFAOYSA-N 2 0 248.374 1.607 20 0 BDADRP Cc1cc(C)c(C[N@@H+]2CC[C@@H](C[NH3+])C2)c(C)n1 ZINC000631821013 372594605 /nfs/dbraw/zinc/59/46/05/372594605.db2.gz MLDQVKCRWJKIMO-ZDUSSCGKSA-N 2 0 233.359 1.787 20 0 BDADRP Cn1cc(CN2CCCCC[C@H]([NH3+])C2)cn1 ZINC000631833922 372617978 /nfs/dbraw/zinc/61/79/78/372617978.db2.gz LOMXEGSZCGSCIT-LBPRGKRZSA-N 2 0 222.336 1.123 20 0 BDADRP CCO[C@H](C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1)C1CC1 ZINC000631837009 372625165 /nfs/dbraw/zinc/62/51/65/372625165.db2.gz LLWKXASGCSEEPY-RAIGVLPGSA-N 2 0 226.364 1.328 20 0 BDADRP C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)OCC1CC1 ZINC000631887973 372681184 /nfs/dbraw/zinc/68/11/84/372681184.db2.gz SEDAOKMUSBNYQD-KGLIPLIRSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@H](C[NH2+]Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000040165689 373114244 /nfs/dbraw/zinc/11/42/44/373114244.db2.gz FKAWPVIOGSANPY-CQSZACIVSA-N 2 0 247.386 1.412 20 0 BDADRP COCCC[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000178752668 205639837 /nfs/dbraw/zinc/63/98/37/205639837.db2.gz UTWDKDKFGMVQTB-LBPRGKRZSA-N 2 0 228.380 1.733 20 0 BDADRP [NH3+]CC[C@H]1CCC[N@H+](C[C@H]2CCCCO2)C1 ZINC000069626370 373547263 /nfs/dbraw/zinc/54/72/63/373547263.db2.gz USLRSYUIMLQUQH-CHWSQXEVSA-N 2 0 226.364 1.616 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])[C@H]1CCCOC1 ZINC000424381735 206038970 /nfs/dbraw/zinc/03/89/70/206038970.db2.gz ZMJBJZDCKGOVCW-YVECIDJPSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@]1(C)CCCO1 ZINC000224548839 259576059 /nfs/dbraw/zinc/57/60/59/259576059.db2.gz AMODOLHEMRSXOD-FRRDWIJNSA-N 2 0 226.364 1.485 20 0 BDADRP OCCCCC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063200456 183045980 /nfs/dbraw/zinc/04/59/80/183045980.db2.gz HAEJDOATRLOKAE-CQSZACIVSA-N 2 0 240.391 1.613 20 0 BDADRP OCC[N@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC000076855575 183070797 /nfs/dbraw/zinc/07/07/97/183070797.db2.gz DEAFASFBMPBKSL-UHFFFAOYSA-N 2 0 234.343 1.233 20 0 BDADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCOC2)C1 ZINC000336707413 169077994 /nfs/dbraw/zinc/07/79/94/169077994.db2.gz ORXNESXIJPMFSR-KGLIPLIRSA-N 2 0 240.391 1.687 20 0 BDADRP CCC[NH+]1CCC([N@H+](C)C[C@@H]2CCOC2)CC1 ZINC000336694311 169187035 /nfs/dbraw/zinc/18/70/35/169187035.db2.gz IZXCYIYCCKMNBF-ZDUSSCGKSA-N 2 0 240.391 1.829 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@H](C)COC)CC1 ZINC000045655951 169188147 /nfs/dbraw/zinc/18/81/47/169188147.db2.gz ZGARARWIRCAPIL-LBPRGKRZSA-N 2 0 228.380 1.733 20 0 BDADRP CCC[NH+]1CCC([NH2+]CCN2CCC2)CC1 ZINC000336740372 169188780 /nfs/dbraw/zinc/18/87/80/169188780.db2.gz QCSBIADOVXPENK-UHFFFAOYSA-N 2 0 225.380 1.156 20 0 BDADRP CCC[N@@H+]1CCCN(CC[NH+](CC)CC)CC1 ZINC000369623457 169193340 /nfs/dbraw/zinc/19/33/40/169193340.db2.gz VDEGOLFTOMXTTG-UHFFFAOYSA-N 2 0 241.423 1.746 20 0 BDADRP c1c[nH]c([C@@H]2CCC[N@@H+]([C@@H]3CCOC3)C2)n1 ZINC000336553996 183327549 /nfs/dbraw/zinc/32/75/49/183327549.db2.gz YZHYVBONUNSFDT-GHMZBOCLSA-N 2 0 221.304 1.378 20 0 BDADRP c1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)on1 ZINC000336503427 183339497 /nfs/dbraw/zinc/33/94/97/183339497.db2.gz FGTWPSVJFBOQJC-UHFFFAOYSA-N 2 0 221.304 1.250 20 0 BDADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccn2C)C1 ZINC000161765134 169206836 /nfs/dbraw/zinc/20/68/36/169206836.db2.gz AOJMNDMIMQRAPE-ZDUSSCGKSA-N 2 0 235.375 1.847 20 0 BDADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccn(C)c2)C1 ZINC000124197366 169207254 /nfs/dbraw/zinc/20/72/54/169207254.db2.gz OYVVHHFJBPSCIO-AWEZNQCLSA-N 2 0 235.375 1.847 20 0 BDADRP c1[nH]nc2c1cccc2C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359453319 183349118 /nfs/dbraw/zinc/34/91/18/183349118.db2.gz DFKALTMACCKGEA-CHWSQXEVSA-N 2 0 242.326 1.214 20 0 BDADRP CCC[NH2+]CCNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000236768939 169258264 /nfs/dbraw/zinc/25/82/64/169258264.db2.gz OTNXIGLXUUORRA-ZDUSSCGKSA-N 2 0 249.358 1.192 20 0 BDADRP c1[nH]nc2cc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)ccc12 ZINC000359469211 183375064 /nfs/dbraw/zinc/37/50/64/183375064.db2.gz ALHKQCQRZIEURY-STQMWFEESA-N 2 0 242.326 1.214 20 0 BDADRP CCC[C@@H](C[NH2+][C@@H](C)CCCC[NH3+])OC ZINC000356341292 169385563 /nfs/dbraw/zinc/38/55/63/169385563.db2.gz UJMUNXMSNFLMBK-RYUDHWBXSA-N 2 0 216.369 1.909 20 0 BDADRP COC1CC([NH2+]C[C@H](C)C[NH+]2CCCCC2)C1 ZINC000220857789 134316375 /nfs/dbraw/zinc/31/63/75/134316375.db2.gz RNJGGFIBJHBHGW-HSBZDZAISA-N 2 0 240.391 1.875 20 0 BDADRP CCC[C@@H]([NH3+])C(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000375989858 169391761 /nfs/dbraw/zinc/39/17/61/169391761.db2.gz JZWKFVFZNQJBJB-GFCCVEGCSA-N 2 0 247.342 1.398 20 0 BDADRP CCCCOCC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000222908991 134336312 /nfs/dbraw/zinc/33/63/12/134336312.db2.gz BFMIDVPFBFLHAT-STQMWFEESA-N 2 0 228.380 1.875 20 0 BDADRP CCC[C@@H](CCO)C[NH2+]C1CC[NH+](CC)CC1 ZINC000224368575 134346169 /nfs/dbraw/zinc/34/61/69/134346169.db2.gz RYTJGTQVCBSIQP-ZDUSSCGKSA-N 2 0 242.407 1.859 20 0 BDADRP CC[C@H](C)[N@H+](C)CCNC1CC[NH+](C)CC1 ZINC000226318239 134360499 /nfs/dbraw/zinc/36/04/99/134360499.db2.gz OJZHXRFVNMJZQX-LBPRGKRZSA-N 2 0 227.396 1.401 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000226592773 134367349 /nfs/dbraw/zinc/36/73/49/134367349.db2.gz DXXHYVHQPTZEQI-GRYCIOLGSA-N 2 0 214.353 1.484 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000301010907 383841683 /nfs/dbraw/zinc/84/16/83/383841683.db2.gz XPLAAMRJRCCAAI-GHMZBOCLSA-N 2 0 232.318 1.963 20 0 BDADRP CCC1CC[NH+](C[C@H](O)CN(C)C2CC2)CC1 ZINC000310072920 383878989 /nfs/dbraw/zinc/87/89/89/383878989.db2.gz ABWYEFQFCQSRTH-CQSZACIVSA-N 2 0 240.391 1.564 20 0 BDADRP Cc1ccc(C[NH+]2CCC(O)(C[NH3+])CC2)c(C)c1 ZINC000071563618 383998508 /nfs/dbraw/zinc/99/85/08/383998508.db2.gz ZFJAAPAUCGSGRB-UHFFFAOYSA-N 2 0 248.370 1.589 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@@H]2CCC[C@H]2O)CC1 ZINC000089165836 383938977 /nfs/dbraw/zinc/93/89/77/383938977.db2.gz AODIOPFSUKHNSD-GXTWGEPZSA-N 2 0 240.391 1.611 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@H](OC)C2CC2)C1 ZINC000400233471 383944324 /nfs/dbraw/zinc/94/43/24/383944324.db2.gz SXLRCJADUIIUPS-YPMHNXCESA-N 2 0 226.364 1.343 20 0 BDADRP CC[N@H+](CCOCC[NH3+])Cc1ccccc1 ZINC000032014372 383966866 /nfs/dbraw/zinc/96/68/66/383966866.db2.gz MMOUPJQZIOALJJ-UHFFFAOYSA-N 2 0 222.332 1.484 20 0 BDADRP c1nc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cs1 ZINC000309573854 384028219 /nfs/dbraw/zinc/02/82/19/384028219.db2.gz NYVDHCHEPVZWLH-PHIMTYICSA-N 2 0 237.372 1.575 20 0 BDADRP CC(C)C[C@@H]([NH3+])CNCc1ccc(C[NH3+])cc1 ZINC000573120262 384035157 /nfs/dbraw/zinc/03/51/57/384035157.db2.gz KEDDPHOBWOIXRX-CQSZACIVSA-N 2 0 235.375 1.608 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)CO1 ZINC000401800784 384041258 /nfs/dbraw/zinc/04/12/58/384041258.db2.gz TTXPQCBIOMDRNU-QWRGUYRKSA-N 2 0 214.353 1.341 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)CO1 ZINC000647217616 384041427 /nfs/dbraw/zinc/04/14/27/384041427.db2.gz YEQMQQXOJMFATE-ZYHUDNBSSA-N 2 0 231.299 1.601 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)CO1 ZINC000401800785 384042235 /nfs/dbraw/zinc/04/22/35/384042235.db2.gz TTXPQCBIOMDRNU-WDEREUQCSA-N 2 0 214.353 1.341 20 0 BDADRP CC(C)([NH3+])Cc1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000647158422 384079482 /nfs/dbraw/zinc/07/94/82/384079482.db2.gz GIWNTTSWENAHQD-UHFFFAOYSA-N 2 0 246.314 1.475 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000394103402 384101821 /nfs/dbraw/zinc/10/18/21/384101821.db2.gz WLPPEHDXZWXZBM-AGIUHOORSA-N 2 0 228.380 1.358 20 0 BDADRP CC(C)[NH2+]CCCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000569471705 384095352 /nfs/dbraw/zinc/09/53/52/384095352.db2.gz KTHWDAYZHLPJQW-NWDGAFQWSA-N 2 0 213.369 1.234 20 0 BDADRP CC(C)[C@H](O)CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000569503113 384136461 /nfs/dbraw/zinc/13/64/61/384136461.db2.gz NUIYAPVASXGNNK-SDDRHHMPSA-N 2 0 214.353 1.253 20 0 BDADRP CC[C@@H]([NH2+]C[C@@H]1CCCN1CCCO)C(C)C ZINC000449384484 384126280 /nfs/dbraw/zinc/12/62/80/384126280.db2.gz BIJDJLLOPDGPMH-UONOGXRCSA-N 2 0 242.407 1.857 20 0 BDADRP Cc1cc(F)ccc1C[N@H+](C)CCC[NH3+] ZINC000227745028 134392071 /nfs/dbraw/zinc/39/20/71/134392071.db2.gz OYQAVWKGRGUFMC-UHFFFAOYSA-N 2 0 210.296 1.915 20 0 BDADRP CC[N@H+](C[C@H]1CCCO1)CC1CC[NH2+]CC1 ZINC000042471336 384150605 /nfs/dbraw/zinc/15/06/05/384150605.db2.gz OFSQSGKSOVWDHY-CYBMUJFWSA-N 2 0 226.364 1.487 20 0 BDADRP CC[C@H](O)C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000253026089 384141389 /nfs/dbraw/zinc/14/13/89/384141389.db2.gz NIPJNDAIYSSCEH-TVYUQYBPSA-N 2 0 220.316 1.492 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000230464130 259648263 /nfs/dbraw/zinc/64/82/63/259648263.db2.gz KIDRBXFJROLEMH-JHJVBQTASA-N 2 0 228.380 1.643 20 0 BDADRP Cc1ccc(C[NH2+]CCCC[NH3+])cc1F ZINC000082503512 384230394 /nfs/dbraw/zinc/23/03/94/384230394.db2.gz FYICFKGFQZPLBZ-UHFFFAOYSA-N 2 0 210.296 1.963 20 0 BDADRP CCOCC[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000082601498 384246619 /nfs/dbraw/zinc/24/66/19/384246619.db2.gz RAXHYFAWKOJTJI-LLVKDONJSA-N 2 0 200.326 1.226 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](CC2CCOCC2)C1 ZINC000069626527 384247935 /nfs/dbraw/zinc/24/79/35/384247935.db2.gz IVQUQWXEVBJHII-LBPRGKRZSA-N 2 0 226.364 1.474 20 0 BDADRP CC[NH+](CC)CCNC(=O)CCCC[NH+](C)C ZINC000560597844 384249577 /nfs/dbraw/zinc/24/95/77/384249577.db2.gz NVFYNBWEBOPYJC-UHFFFAOYSA-N 2 0 243.395 1.176 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCSC2)C1 ZINC000228552433 384277270 /nfs/dbraw/zinc/27/72/70/384277270.db2.gz LDITTWBDXHXOMJ-AXFHLTTASA-N 2 0 214.378 1.599 20 0 BDADRP C[C@@H]1C[C@H]([N@H+](C)Cc2ccn(C)c2)CCN1C ZINC000093644197 384255137 /nfs/dbraw/zinc/25/51/37/384255137.db2.gz CRKBSLYNJBDLCU-TZMCWYRMSA-N 2 0 235.375 1.940 20 0 BDADRP Cc1ccc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)cc1C ZINC000313354915 384277843 /nfs/dbraw/zinc/27/78/43/384277843.db2.gz MZYYUVSYWHCLFZ-HNNXBMFYSA-N 2 0 248.370 1.853 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccncc3)C[C@H]21 ZINC000228537047 384275168 /nfs/dbraw/zinc/27/51/68/384275168.db2.gz MCOXTWXUTWSZGZ-BFHYXJOUSA-N 2 0 231.343 1.641 20 0 BDADRP CC[NH+](CC)CCC[NH2+]C[C@@]1(OC)CCOC1 ZINC000401935775 384314424 /nfs/dbraw/zinc/31/44/24/384314424.db2.gz PAAPLLYLMOQQQH-ZDUSSCGKSA-N 2 0 244.379 1.113 20 0 BDADRP Clc1cnccc1NC[C@H]1C[NH2+]CCO1 ZINC000147226503 384282631 /nfs/dbraw/zinc/28/26/31/384282631.db2.gz UPQSSCNSJHRPGN-MRVPVSSYSA-N 2 0 227.695 1.135 20 0 BDADRP COCCC[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000300055650 384283251 /nfs/dbraw/zinc/28/32/51/384283251.db2.gz JJBXPAVMVUYQAU-NEPJUHHUSA-N 2 0 214.353 1.343 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC2=CC[N@H+](C)CC2)CO1 ZINC000401929013 384294706 /nfs/dbraw/zinc/29/47/06/384294706.db2.gz UKEQGLKUWSKKOH-JQWIXIFHSA-N 2 0 210.321 1.015 20 0 BDADRP CC[NH+](CC)CCCN1CC[NH2+]C[C@H]1C ZINC000083347614 384298273 /nfs/dbraw/zinc/29/82/73/384298273.db2.gz FQDZNQNNEULPRQ-GFCCVEGCSA-N 2 0 213.369 1.012 20 0 BDADRP C[NH2+]CCC1CC[NH+](Cc2ccc(N)nc2)CC1 ZINC000647509952 384362204 /nfs/dbraw/zinc/36/22/04/384362204.db2.gz JLCCTBOAFMQVQD-UHFFFAOYSA-N 2 0 248.374 1.316 20 0 BDADRP Cc1cccc(C[NH+]2CCC(O)(C[NH3+])CC2)c1C ZINC000335626708 384402839 /nfs/dbraw/zinc/40/28/39/384402839.db2.gz YHETWZVAVDCYPP-UHFFFAOYSA-N 2 0 248.370 1.589 20 0 BDADRP CC[NH+]1CCC(N[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000335644704 384420232 /nfs/dbraw/zinc/42/02/32/384420232.db2.gz YEZGSJPSONAFOY-WCQYABFASA-N 2 0 225.380 1.201 20 0 BDADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCOC)C1 ZINC000174970737 384381433 /nfs/dbraw/zinc/38/14/33/384381433.db2.gz SXXFUOQQODVOKK-GFCCVEGCSA-N 2 0 214.353 1.297 20 0 BDADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)CC(C)(C)[NH3+] ZINC000178702832 384388210 /nfs/dbraw/zinc/38/82/10/384388210.db2.gz NERKBKURFCOPLY-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP C[NH+](C)CCCCC(=O)NC(C)(C)C[NH+](C)C ZINC000556698390 384456099 /nfs/dbraw/zinc/45/60/99/384456099.db2.gz GWDNVJCFMNLWTL-UHFFFAOYSA-N 2 0 243.395 1.175 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC1CCOCC1 ZINC000082544843 384432651 /nfs/dbraw/zinc/43/26/51/384432651.db2.gz VGZAXBZNHVMUBS-PWSUYJOCSA-N 2 0 212.337 1.225 20 0 BDADRP Cc1nccn1CCC[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000568162147 384441593 /nfs/dbraw/zinc/44/15/93/384441593.db2.gz PBRBKWNMMBKRFE-YPMHNXCESA-N 2 0 236.363 1.393 20 0 BDADRP FC(F)O[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000647518633 384507220 /nfs/dbraw/zinc/50/72/20/384507220.db2.gz UPDWVASAMUMPSO-NSHDSACASA-N 2 0 248.317 1.690 20 0 BDADRP COC1(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)CCCC1 ZINC000319853984 384514055 /nfs/dbraw/zinc/51/40/55/384514055.db2.gz LGMOUGNTDUVWLS-OLZOCXBDSA-N 2 0 240.391 1.862 20 0 BDADRP CO[C@H](C)CC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400380160 533070912 /nfs/dbraw/zinc/07/09/12/533070912.db2.gz JWYBTGXTGLAWRA-GMTAPVOTSA-N 2 0 200.326 1.142 20 0 BDADRP CO[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)C ZINC000373060608 384547027 /nfs/dbraw/zinc/54/70/27/384547027.db2.gz XIOBUUURXUBZCM-WTUNAVPPSA-N 2 0 240.391 1.872 20 0 BDADRP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CCSC1 ZINC000019905703 384557273 /nfs/dbraw/zinc/55/72/73/384557273.db2.gz COTSYCYYSFPHOT-JTQLQIEISA-N 2 0 216.394 1.669 20 0 BDADRP CC[N@H+](CC[C@H]1CCC[NH2+]C1)C[C@H]1CCOC1 ZINC000643056780 384558037 /nfs/dbraw/zinc/55/80/37/384558037.db2.gz DPYFNAONGKKWHL-ZIAGYGMSSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(CC3CC3)C2)CO1 ZINC000647181868 384561086 /nfs/dbraw/zinc/56/10/86/384561086.db2.gz WOBJEYUUUBHIHD-KGYLQXTDSA-N 2 0 224.348 1.238 20 0 BDADRP c1cc(CCCN2CC[C@@H]3CC[NH2+][C@@H]3C2)ccn1 ZINC000643065152 384585421 /nfs/dbraw/zinc/58/54/21/384585421.db2.gz YYNHSROEHLSKOU-LSDHHAIUSA-N 2 0 245.370 1.698 20 0 BDADRP CC[NH+](CC)CC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000236837182 384589324 /nfs/dbraw/zinc/58/93/24/384589324.db2.gz QOWUENCCJCJPOU-LBPRGKRZSA-N 2 0 243.395 1.160 20 0 BDADRP CC(C)[C@H]([NH3+])c1cn(CC[NH+]2CCCC2)nn1 ZINC000305934027 384564363 /nfs/dbraw/zinc/56/43/63/384564363.db2.gz PSJSHYBYOFJNAD-LBPRGKRZSA-N 2 0 237.351 1.030 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1CC(O)C1 ZINC000084446298 384621926 /nfs/dbraw/zinc/62/19/26/384621926.db2.gz ABPQBBIGZHMTTR-OVIZCXLRSA-N 2 0 226.364 1.076 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CCC(C)([NH3+])CC1 ZINC000647530809 384622642 /nfs/dbraw/zinc/62/26/42/384622642.db2.gz HMEUDWUCQWLTPX-LLVKDONJSA-N 2 0 213.369 1.173 20 0 BDADRP C[N@H+](CC[C@H]1CCCO1)CC(C)(C)C[NH3+] ZINC000086638241 384673306 /nfs/dbraw/zinc/67/33/06/384673306.db2.gz KPIMPDLIJWATTK-LLVKDONJSA-N 2 0 214.353 1.472 20 0 BDADRP Cc1ncc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000086403507 384645237 /nfs/dbraw/zinc/64/52/37/384645237.db2.gz XZJVRBZQODGJKE-ZJUUUORDSA-N 2 0 225.361 1.811 20 0 BDADRP CC(C)[NH+]1CCC(NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000154638016 384648399 /nfs/dbraw/zinc/64/83/99/384648399.db2.gz UQWSTMVPAXWPOP-AWEZNQCLSA-N 2 0 239.407 1.543 20 0 BDADRP CC[NH+]1CCC(C[NH2+]Cc2ccnn2C)CC1 ZINC000044517731 384652076 /nfs/dbraw/zinc/65/20/76/384652076.db2.gz USJYQAKFQAUMCX-UHFFFAOYSA-N 2 0 236.363 1.242 20 0 BDADRP CO[C@H](C)CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000309618119 384656272 /nfs/dbraw/zinc/65/62/72/384656272.db2.gz DKAAFKKSGSMBMQ-AGIUHOORSA-N 2 0 226.364 1.628 20 0 BDADRP C[C@H](O)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000309885096 384691432 /nfs/dbraw/zinc/69/14/32/384691432.db2.gz XRFCBWKWMYPXQO-WUHRBBMRSA-N 2 0 226.364 1.220 20 0 BDADRP CC(C)CCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000336661431 384698727 /nfs/dbraw/zinc/69/87/27/384698727.db2.gz CCYYFKCLCVCEQI-STQMWFEESA-N 2 0 210.365 1.964 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)C1 ZINC000449094432 384721131 /nfs/dbraw/zinc/72/11/31/384721131.db2.gz RXROJPXUDDMRNB-REWJHTLYSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]1CCC[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)C1 ZINC000336191128 384722237 /nfs/dbraw/zinc/72/22/37/384722237.db2.gz CBSJQKLKRRUMEL-CHWSQXEVSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](N[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000647546192 384730894 /nfs/dbraw/zinc/73/08/94/384730894.db2.gz DISIBYGPEAARIW-LOWDOPEQSA-N 2 0 225.380 1.092 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](N[C@@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC000647548119 384750174 /nfs/dbraw/zinc/75/01/74/384750174.db2.gz VVLRCEOPROQVAS-XQQFMLRXSA-N 2 0 237.391 1.249 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(N)nc2)C[C@H]1C[NH3+] ZINC000647552182 384758774 /nfs/dbraw/zinc/75/87/74/384758774.db2.gz KUTVMDKFYZJYQG-NTZNESFSSA-N 2 0 248.374 1.299 20 0 BDADRP COc1ccsc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000647552540 384761864 /nfs/dbraw/zinc/76/18/64/384761864.db2.gz FYFQPUXOHVKEBY-DTWKUNHWSA-N 2 0 228.361 1.972 20 0 BDADRP CC[C@H](COC)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000647553090 384765603 /nfs/dbraw/zinc/76/56/03/384765603.db2.gz ARTRLGPZSYTBTI-CYBMUJFWSA-N 2 0 222.332 1.660 20 0 BDADRP C([NH2+][C@@H]1CC[NH2+]C12CCCC2)C1CC[NH2+]CC1 ZINC000647554316 384771964 /nfs/dbraw/zinc/77/19/64/384771964.db2.gz WQOXGIABQMDDOL-CYBMUJFWSA-N 3 0 237.391 1.250 20 0 BDADRP CCN(C[C@H]1CCCO1)CC(C)(C)[NH3+] ZINC000042471389 384816200 /nfs/dbraw/zinc/81/62/00/384816200.db2.gz DJUDCELLHOOOTO-SNVBAGLBSA-N 2 0 200.326 1.225 20 0 BDADRP C[C@H](C[NH3+])N[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000423329112 384806311 /nfs/dbraw/zinc/80/63/11/384806311.db2.gz ONTCNTMWCFBINT-BPLDGKMQSA-N 2 0 247.386 1.759 20 0 BDADRP c1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)sn1 ZINC000404446817 384809022 /nfs/dbraw/zinc/80/90/22/384809022.db2.gz OFCLGNQRDIDUFR-PHIMTYICSA-N 2 0 237.372 1.575 20 0 BDADRP Cc1ncccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000335271016 384886949 /nfs/dbraw/zinc/88/69/49/384886949.db2.gz XRTFJWUOWHWPAU-OKILXGFUSA-N 2 0 245.370 1.821 20 0 BDADRP COC[C@]1(C[NH2+][C@@H]2CC[C@H]2C2CC2)CCC[NH2+]1 ZINC000423414726 384860810 /nfs/dbraw/zinc/86/08/10/384860810.db2.gz NSCSREZGYRYKPG-BFHYXJOUSA-N 2 0 238.375 1.533 20 0 BDADRP CC[NH2+]CCCNC(=O)[C@@H]([NH3+])c1ccccc1C ZINC000557171226 384862192 /nfs/dbraw/zinc/86/21/92/384862192.db2.gz DYWFRDCXFOVQQU-ZDUSSCGKSA-N 2 0 249.358 1.111 20 0 BDADRP Cc1cc(C[NH2+]C[C@H]2CNCCO2)ccc1F ZINC000258939983 384950366 /nfs/dbraw/zinc/95/03/66/384950366.db2.gz PQABSKUYINGMCU-GFCCVEGCSA-N 2 0 238.306 1.212 20 0 BDADRP C[N@H+](CC[C@H]1CC[NH2+]C1)CCC1CCOCC1 ZINC000259039973 384952841 /nfs/dbraw/zinc/95/28/41/384952841.db2.gz PLQZZVWAQCHDBK-CQSZACIVSA-N 2 0 240.391 1.735 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCc1ccc(F)cc1 ZINC000259039884 384953292 /nfs/dbraw/zinc/95/32/92/384953292.db2.gz PEUFZFDJGKVHHZ-CHWSQXEVSA-N 2 0 222.307 1.838 20 0 BDADRP C[C@@H]([NH2+]CCCOC(F)F)[C@@H]1CCCC[NH2+]1 ZINC000398294716 384894255 /nfs/dbraw/zinc/89/42/55/384894255.db2.gz BZFIYTNOPOSMOC-ZJUUUORDSA-N 2 0 236.306 1.736 20 0 BDADRP CCN(CC[NH3+])Cc1ccc(F)c(F)c1 ZINC000167646209 384917688 /nfs/dbraw/zinc/91/76/88/384917688.db2.gz NUJUKVOBMJYCLQ-UHFFFAOYSA-N 2 0 214.259 1.745 20 0 BDADRP c1ncc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)s1 ZINC000309526876 384937751 /nfs/dbraw/zinc/93/77/51/384937751.db2.gz CIAPWXGKRCOIBD-PHIMTYICSA-N 2 0 237.372 1.575 20 0 BDADRP C[C@@H](O)C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000644569901 384966194 /nfs/dbraw/zinc/96/61/94/384966194.db2.gz MMOFVAWRDBXQFR-GHMZBOCLSA-N 2 0 216.369 1.323 20 0 BDADRP Cc1nc(CC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cs1 ZINC000226324247 384978544 /nfs/dbraw/zinc/97/85/44/384978544.db2.gz GSEMUAPLLRXNKS-ZYHUDNBSSA-N 2 0 239.388 1.711 20 0 BDADRP CC[C@@H](O)C[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000644581433 384989012 /nfs/dbraw/zinc/98/90/12/384989012.db2.gz PEBRPFDIWGJOQV-CYBMUJFWSA-N 2 0 230.396 1.856 20 0 BDADRP Cn1cncc1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000336323364 385054979 /nfs/dbraw/zinc/05/49/79/385054979.db2.gz LVCSUPKPHVSVCF-DGCLKSJQSA-N 2 0 235.331 1.421 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCN(C)C1CCCC1 ZINC000310453101 385066421 /nfs/dbraw/zinc/06/64/21/385066421.db2.gz YNDFZQXMPQAFAD-CYBMUJFWSA-N 3 0 241.423 1.968 20 0 BDADRP CC[C@H](C[NH2+]C1CC[NH+](C(C)C)CC1)OC ZINC000336671076 385071124 /nfs/dbraw/zinc/07/11/24/385071124.db2.gz NOMAPTYZSLFULW-CYBMUJFWSA-N 2 0 228.380 1.874 20 0 BDADRP Cc1noc(C)c1CN[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000404806781 385076406 /nfs/dbraw/zinc/07/64/06/385076406.db2.gz ZGMGBZZBEKUMDN-GHMZBOCLSA-N 2 0 223.320 1.507 20 0 BDADRP CC[C@@H](O)C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000644669324 385085206 /nfs/dbraw/zinc/08/52/06/385085206.db2.gz YINHOGFKYRJXNZ-VXGBXAGGSA-N 2 0 214.353 1.079 20 0 BDADRP Cc1noc(C)c1CN[C@H]1C[C@H]([NH3+])C1(C)C ZINC000404806784 385077202 /nfs/dbraw/zinc/07/72/02/385077202.db2.gz ZGMGBZZBEKUMDN-QWRGUYRKSA-N 2 0 223.320 1.507 20 0 BDADRP CC[NH+](CC)CCCN[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000131423526 385086445 /nfs/dbraw/zinc/08/64/45/385086445.db2.gz OAPNRKWKLKWDAX-UONOGXRCSA-N 3 0 241.423 1.648 20 0 BDADRP CC(C)COCC[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000404836781 385097117 /nfs/dbraw/zinc/09/71/17/385097117.db2.gz AKQMSWIUAOJLRI-MNOVXSKESA-N 2 0 214.353 1.374 20 0 BDADRP CN(C[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]2C1)C1CC1 ZINC000310527196 385104183 /nfs/dbraw/zinc/10/41/83/385104183.db2.gz XHWUOUHPZZIDLL-MBNYWOFBSA-N 2 0 238.375 1.173 20 0 BDADRP Cc1nn(C)cc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000163493733 385201493 /nfs/dbraw/zinc/20/14/93/385201493.db2.gz ZLEKLXWBQOGAES-ZYHUDNBSSA-N 2 0 236.363 1.145 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@H]1CC[NH2+]CC[C@H]1C ZINC000422721906 385201995 /nfs/dbraw/zinc/20/19/95/385201995.db2.gz WJSWXUZADPCWGN-RDBSUJKOSA-N 2 0 241.423 1.694 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+]C2CC(OC(C)C)C2)C1 ZINC000189521017 385161378 /nfs/dbraw/zinc/16/13/78/385161378.db2.gz YCTFBGXABFTWKW-HSBZDZAISA-N 2 0 240.391 1.874 20 0 BDADRP CN(CCOCc1ccccc1)CC(C)(C)[NH3+] ZINC000306720802 385176891 /nfs/dbraw/zinc/17/68/91/385176891.db2.gz NYSQOMMHZBSCRC-UHFFFAOYSA-N 2 0 236.359 1.872 20 0 BDADRP [NH3+][C@H]1C[C@@H](c2nc(C3([NH3+])CCCC3)no2)C1 ZINC000647138172 385179013 /nfs/dbraw/zinc/17/90/13/385179013.db2.gz JWYMAOPNWIGNAQ-OCAPTIKFSA-N 2 0 222.292 1.002 20 0 BDADRP CC(C)CCOCC[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000045107892 385246443 /nfs/dbraw/zinc/24/64/43/385246443.db2.gz DDDFNYSWDSWCIQ-GFCCVEGCSA-N 2 0 214.353 1.330 20 0 BDADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCCC[NH+](CC)CC ZINC000019478874 385205840 /nfs/dbraw/zinc/20/58/40/385205840.db2.gz DYKBKXPSEYKRHW-NEPJUHHUSA-N 2 0 243.395 1.208 20 0 BDADRP [NH3+]C[C@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000036866960 385305464 /nfs/dbraw/zinc/30/54/64/385305464.db2.gz WGZDRVVRNSVCON-SNVBAGLBSA-N 2 0 210.346 1.919 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCCCCF)C[C@H]12 ZINC000308961728 385314259 /nfs/dbraw/zinc/31/42/59/385314259.db2.gz GMLLFCKMFCJRQX-GRYCIOLGSA-N 2 0 214.328 1.795 20 0 BDADRP Cc1ccnc(N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000272138172 385276011 /nfs/dbraw/zinc/27/60/11/385276011.db2.gz AVMDNBLJHJJGAT-OLZOCXBDSA-N 2 0 231.343 1.920 20 0 BDADRP C([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCSC1 ZINC000300231833 385290609 /nfs/dbraw/zinc/29/06/09/385290609.db2.gz JBZZXYQOZYHBCX-NWDGAFQWSA-N 2 0 240.416 1.813 20 0 BDADRP [NH3+]C[C@H]1CCC[N@H+](CCOc2ccccc2)C1 ZINC000011888564 385298098 /nfs/dbraw/zinc/29/80/98/385298098.db2.gz CIPSMLMJDCGPGJ-CYBMUJFWSA-N 2 0 234.343 1.736 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000644735033 385351184 /nfs/dbraw/zinc/35/11/84/385351184.db2.gz QLSJSCSRPQSZQF-KGLIPLIRSA-N 2 0 239.407 1.354 20 0 BDADRP CCC[C@H]([NH3+])C(=O)NCCCC[NH+](CC)CC ZINC000165105769 385351317 /nfs/dbraw/zinc/35/13/17/385351317.db2.gz MIZDZSHYVQOXRX-LBPRGKRZSA-N 2 0 243.395 1.352 20 0 BDADRP C[NH+](C)C1(CN[C@H]2CCC[C@H]2C[NH3+])CCC1 ZINC000165169732 385358117 /nfs/dbraw/zinc/35/81/17/385358117.db2.gz ICZJRZDZSFWYFR-RYUDHWBXSA-N 3 0 225.380 1.188 20 0 BDADRP C[NH+]1CCC[C@@H]1CCN1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000644736174 385366705 /nfs/dbraw/zinc/36/67/05/385366705.db2.gz HQXNIVBQIYDOBU-MJBXVCDLSA-N 2 0 237.391 1.107 20 0 BDADRP COC[C@H]([NH2+][C@H](C)CCCC[NH3+])C(C)C ZINC000309019336 385373579 /nfs/dbraw/zinc/37/35/79/385373579.db2.gz SUHRCUSSPVVYEM-NEPJUHHUSA-N 2 0 216.369 1.765 20 0 BDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(C)(C)[NH3+] ZINC000168926739 385392983 /nfs/dbraw/zinc/39/29/83/385392983.db2.gz AHXFKWWMJVOWQP-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000309056748 385393754 /nfs/dbraw/zinc/39/37/54/385393754.db2.gz SZAYZEKUDWZWLH-WOPDTQHZSA-N 2 0 214.353 1.484 20 0 BDADRP CC[C@@H]1CN(C[C@@]2(C)CC[NH2+]C2)CC[C@H]1[NH3+] ZINC000647497755 385407733 /nfs/dbraw/zinc/40/77/33/385407733.db2.gz TWWPKRWLCFMVOE-UPJWGTAASA-N 2 0 225.380 1.045 20 0 BDADRP C[C@]1(CN2CCSCC2)CC[NH2+]C1 ZINC000062911003 385438981 /nfs/dbraw/zinc/43/89/81/385438981.db2.gz WUBCEVOYOGRSGM-JTQLQIEISA-N 2 0 200.351 1.035 20 0 BDADRP Cc1ccc2ncc(CN3CC[NH+](C)CC3)n2c1 ZINC000156369569 385449746 /nfs/dbraw/zinc/44/97/46/385449746.db2.gz BMUOLHHVQMYSJI-UHFFFAOYSA-N 2 0 244.342 1.390 20 0 BDADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC000194950117 385452700 /nfs/dbraw/zinc/45/27/00/385452700.db2.gz ZUHIRCTYPOUTSQ-NEPJUHHUSA-N 2 0 214.353 1.031 20 0 BDADRP C[C@@H](C[NH2+]C[C@@H]1CCCOC1)C[NH+]1CCCC1 ZINC000111320511 385501132 /nfs/dbraw/zinc/50/11/32/385501132.db2.gz UIINNTMWFSNSFA-KBPBESRZSA-N 2 0 240.391 1.735 20 0 BDADRP CCn1ccnc1CN1CC[C@H](C[NH+](C)C)C1 ZINC000172197219 385533200 /nfs/dbraw/zinc/53/32/00/385533200.db2.gz WESZFSYSMFJCTQ-GFCCVEGCSA-N 2 0 236.363 1.287 20 0 BDADRP C[NH2+]CCC[N@H+](C)CC1(OC)CCCC1 ZINC000319013169 385538918 /nfs/dbraw/zinc/53/89/18/385538918.db2.gz GJRLVBNFZSOWHL-UHFFFAOYSA-N 2 0 214.353 1.487 20 0 BDADRP COC1(C[N@H+](C)CCC[NH3+])CCCC1 ZINC000319016112 385539571 /nfs/dbraw/zinc/53/95/71/385539571.db2.gz HCNJUAHWMUJUAK-UHFFFAOYSA-N 2 0 200.326 1.226 20 0 BDADRP COC1(C[N@@H+]2CC[C@](C)(C[NH3+])C2)CCCC1 ZINC000319104838 385543135 /nfs/dbraw/zinc/54/31/35/385543135.db2.gz XVISJZRHYVAPSP-GFCCVEGCSA-N 2 0 226.364 1.616 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000309354276 385545650 /nfs/dbraw/zinc/54/56/50/385545650.db2.gz NTFXIMITUYGZCR-BXUZGUMPSA-N 2 0 218.344 1.728 20 0 BDADRP CC1(C)C[NH2+][C@H]1C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000644138991 385520540 /nfs/dbraw/zinc/52/05/40/385520540.db2.gz AKIGSHKZYIFQDO-LBPRGKRZSA-N 2 0 245.326 1.226 20 0 BDADRP Nc1ncnc(N[C@@H]2CCC[C@@H]([NH3+])C2)c1Cl ZINC000643030305 385525952 /nfs/dbraw/zinc/52/59/52/385525952.db2.gz LNOMBYXNIJNNTA-RNFRBKRXSA-N 2 0 241.726 1.394 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CC1(CO)CCCC1 ZINC000309413318 385574165 /nfs/dbraw/zinc/57/41/65/385574165.db2.gz VUOOQDUCAJXAGC-LBPRGKRZSA-N 2 0 228.380 1.646 20 0 BDADRP Cc1ccc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)nc1 ZINC000414847813 385603422 /nfs/dbraw/zinc/60/34/22/385603422.db2.gz JQRCVELCCSIYBO-ZDUSSCGKSA-N 2 0 233.359 1.869 20 0 BDADRP CCN(CC[NH2+][C@H]1CN(C)C[C@H]1C)C1CC1 ZINC000309493212 385613723 /nfs/dbraw/zinc/61/37/23/385613723.db2.gz XSHOKEULVPPQDY-YPMHNXCESA-N 2 0 225.380 1.010 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](O)CC(C)(C)C ZINC000336681977 385640603 /nfs/dbraw/zinc/64/06/03/385640603.db2.gz YIYHNGGKZSJSOL-NEPJUHHUSA-N 2 0 230.396 1.891 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CC1(O)CCCCC1 ZINC000336683652 385650985 /nfs/dbraw/zinc/65/09/85/385650985.db2.gz ZFUMSKCXDQYGLM-LBPRGKRZSA-N 2 0 228.380 1.789 20 0 BDADRP CCOC[C@H]1CCC[N@H+](CCC[NH2+]C)C1 ZINC000309515616 385654748 /nfs/dbraw/zinc/65/47/48/385654748.db2.gz RHYYVECOYAILHN-LBPRGKRZSA-N 2 0 214.353 1.344 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@](C)(O)C1CC1 ZINC000336684216 385672251 /nfs/dbraw/zinc/67/22/51/385672251.db2.gz KFEZIWSGZXFCLH-PWSUYJOCSA-N 2 0 214.353 1.255 20 0 BDADRP CCN(CCO)CC[NH2+]Cc1ccsc1 ZINC000184542237 385673831 /nfs/dbraw/zinc/67/38/31/385673831.db2.gz QGGLGBJAUDWSPE-UHFFFAOYSA-N 2 0 228.361 1.152 20 0 BDADRP CC[N@@H+]1CC[C@@H](NCCC[NH+](C)C)[C@@H](C)C1 ZINC000221705874 385689903 /nfs/dbraw/zinc/68/99/03/385689903.db2.gz WHINNSFCBLSKAR-QWHCGFSZSA-N 2 0 227.396 1.258 20 0 BDADRP CC[NH+](CC)CCN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000221722443 385694457 /nfs/dbraw/zinc/69/44/57/385694457.db2.gz VEIMBFKICSQDQR-QWHCGFSZSA-N 2 0 227.396 1.401 20 0 BDADRP C[C@@H]([NH2+]CCC[NH+](C)C)[C@@H]1CCCO1 ZINC000122601929 385697959 /nfs/dbraw/zinc/69/79/59/385697959.db2.gz SDIWSHIGBCBRIN-MNOVXSKESA-N 2 0 200.326 1.095 20 0 BDADRP FCCCCC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000336686236 385702758 /nfs/dbraw/zinc/70/27/58/385702758.db2.gz KXXXNDYQNSPTAP-LBPRGKRZSA-N 2 0 214.328 1.812 20 0 BDADRP Oc1cc(F)cc(CNC[C@H]2CCC[NH2+]C2)c1 ZINC000414851930 385669867 /nfs/dbraw/zinc/66/98/67/385669867.db2.gz JPLVPWJHXNAUSQ-JTQLQIEISA-N 2 0 238.306 1.621 20 0 BDADRP C[NH2+]CCCN[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000414858211 385733709 /nfs/dbraw/zinc/73/37/09/385733709.db2.gz IDOQGPVIYPIDLP-CABCVRRESA-N 2 0 247.386 1.679 20 0 BDADRP CCOC(=O)C1CCC([NH2+]CCC[NH2+]C)CC1 ZINC000414860719 385744183 /nfs/dbraw/zinc/74/41/83/385744183.db2.gz QJECTNGTGOUPGL-UHFFFAOYSA-N 2 0 242.363 1.307 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H](C)Cc1ccccc1OC ZINC000414861201 385745570 /nfs/dbraw/zinc/74/55/70/385745570.db2.gz RIVDWOOXDIDZKD-LBPRGKRZSA-N 2 0 236.359 1.825 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CCCO1 ZINC000336696448 385746415 /nfs/dbraw/zinc/74/64/15/385746415.db2.gz TXINPOGOFVWWRQ-QWRGUYRKSA-N 2 0 200.326 1.273 20 0 BDADRP C[C@@H](CO)[N@H+](C)Cc1ccc(-n2ccnc2)nc1 ZINC000282796432 385786656 /nfs/dbraw/zinc/78/66/56/385786656.db2.gz OAYVFWDHNZHBIA-NSHDSACASA-N 2 0 246.314 1.080 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCCSC1 ZINC000336698451 385753215 /nfs/dbraw/zinc/75/32/15/385753215.db2.gz VLXVMOPUVRSMNC-MNOVXSKESA-N 2 0 216.394 1.989 20 0 BDADRP CCC[C@H](O)C[NH2+][C@H](C)CCCC[NH3+] ZINC000336701441 385767162 /nfs/dbraw/zinc/76/71/62/385767162.db2.gz XUMUIAHGRUTDRN-MNOVXSKESA-N 2 0 202.342 1.255 20 0 BDADRP CC[N@H+](CCCO)CCCn1ccnc1C ZINC000270649901 385726524 /nfs/dbraw/zinc/72/65/24/385726524.db2.gz OMVZORYMUFXEEA-UHFFFAOYSA-N 2 0 225.336 1.286 20 0 BDADRP COCC[C@H](C)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647799989 385802488 /nfs/dbraw/zinc/80/24/88/385802488.db2.gz WBSKPPGNLGRXHC-REWJHTLYSA-N 2 0 240.391 1.637 20 0 BDADRP COC[C@@]1(C[NH2+]CC(C)(C)C)CCC[NH2+]1 ZINC000414948069 385804657 /nfs/dbraw/zinc/80/46/57/385804657.db2.gz WQMZBXHACYVGQJ-LBPRGKRZSA-N 2 0 214.353 1.391 20 0 BDADRP C[C@@H]([NH2+]C[C@@H](C)CC(F)F)C1C[NH2+]C1 ZINC000647800728 385809308 /nfs/dbraw/zinc/80/93/08/385809308.db2.gz JOGRKBWZJBKVSL-JGVFFNPUSA-N 2 0 206.280 1.475 20 0 BDADRP Cc1cnc(CN[C@@H](C)C[N@H+](C)C(C)C)n1C ZINC000353150144 385812559 /nfs/dbraw/zinc/81/25/59/385812559.db2.gz IPUNSGDHBFFZNU-NSHDSACASA-N 2 0 238.379 1.547 20 0 BDADRP CSC1(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000336716664 385818201 /nfs/dbraw/zinc/81/82/01/385818201.db2.gz XLCNSDRFGMZOEO-GHMZBOCLSA-N 2 0 228.405 1.812 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)C[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000261684994 385826986 /nfs/dbraw/zinc/82/69/86/385826986.db2.gz DOQMGEXBCWFWOJ-WCQYABFASA-N 2 0 247.342 1.601 20 0 BDADRP CCC[NH2+]CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000414868771 385832214 /nfs/dbraw/zinc/83/22/14/385832214.db2.gz KMKCJXQZAWKUBL-MCIONIFRSA-N 2 0 239.407 1.496 20 0 BDADRP [NH3+]Cc1ccc(CN[C@H]2CCC[C@H]2[NH3+])cc1 ZINC000647802615 385836265 /nfs/dbraw/zinc/83/62/65/385836265.db2.gz PVVNTJLEXPJOPL-OLZOCXBDSA-N 2 0 219.332 1.115 20 0 BDADRP C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000647804448 385840739 /nfs/dbraw/zinc/84/07/39/385840739.db2.gz QUPINFOYENDECL-JXUBOQSCSA-N 2 0 200.351 1.350 20 0 BDADRP COC[C@@H](CC(C)C)[NH2+]CC1([NH3+])CCC1 ZINC000414871549 385853815 /nfs/dbraw/zinc/85/38/15/385853815.db2.gz DCEAEYWWKDDTHU-LLVKDONJSA-N 2 0 214.353 1.519 20 0 BDADRP COC(C)(C)[C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C ZINC000336656873 385791116 /nfs/dbraw/zinc/79/11/16/385791116.db2.gz ANCOQNSZEHKFJB-WDEREUQCSA-N 2 0 216.369 1.587 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647797965 385791610 /nfs/dbraw/zinc/79/16/10/385791610.db2.gz ISMNQDGOTYWHBI-UJPOAAIJSA-N 2 0 226.364 1.388 20 0 BDADRP CC[C@H](C)C[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000093074677 385885292 /nfs/dbraw/zinc/88/52/92/385885292.db2.gz UYRBTOFOCIMJJT-QWHCGFSZSA-N 2 0 227.396 1.258 20 0 BDADRP COC(=O)c1ccc(C[NH2+][C@@H](C)CC[NH3+])cc1 ZINC000414876397 385906374 /nfs/dbraw/zinc/90/63/74/385906374.db2.gz DHWUGWOFQNUUPD-JTQLQIEISA-N 2 0 236.315 1.300 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414964708 385908670 /nfs/dbraw/zinc/90/86/70/385908670.db2.gz MRZAFJYGDSKQNT-HZSPNIEDSA-N 3 0 239.407 1.639 20 0 BDADRP COC1(C[NH2+][C@@H](C)CCC[NH3+])CCCC1 ZINC000308904141 385909200 /nfs/dbraw/zinc/90/92/00/385909200.db2.gz CZENBCBLBOGIPF-NSHDSACASA-N 2 0 214.353 1.663 20 0 BDADRP COC[C@@]1(C[NH2+][C@H](C)CC2CC2)CCC[NH2+]1 ZINC000414964874 385909700 /nfs/dbraw/zinc/90/97/00/385909700.db2.gz YTRLWMSMDKPUFY-YPMHNXCESA-N 2 0 226.364 1.533 20 0 BDADRP CC(C)N1C[C@H](C)[C@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000335034168 385923302 /nfs/dbraw/zinc/92/33/02/385923302.db2.gz JOCNRAJIWUVUCN-GFJIZPEISA-N 3 0 239.407 1.575 20 0 BDADRP C[NH2+][C@@H]1CCN(CCCC2CC[NH2+]CC2)C1 ZINC000647809823 385861706 /nfs/dbraw/zinc/86/17/06/385861706.db2.gz ZJAMMVDJBJRMHC-CYBMUJFWSA-N 2 0 225.380 1.060 20 0 BDADRP C([NH2+]C[C@H]1CCC[NH2+]C1)[C@H]1CCSC1 ZINC000228553611 385876272 /nfs/dbraw/zinc/87/62/72/385876272.db2.gz HMMGFFJMGPRJKK-WDEREUQCSA-N 2 0 214.378 1.329 20 0 BDADRP COc1cccc(C[C@@H](C)[NH2+]C[C@H](C)C[NH3+])n1 ZINC000414874191 385882078 /nfs/dbraw/zinc/88/20/78/385882078.db2.gz IMUCDMZQNZVDHO-GHMZBOCLSA-N 2 0 237.347 1.206 20 0 BDADRP CC[C@H]([NH3+])CNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000295151806 385978374 /nfs/dbraw/zinc/97/83/74/385978374.db2.gz CSLHTGACHDYOFC-WCFLWFBJSA-N 2 0 249.358 1.176 20 0 BDADRP [NH3+][C@@H]1C[C@H](NCC2([NH3+])CCC2)c2ccccc21 ZINC000335021059 385981015 /nfs/dbraw/zinc/98/10/15/385981015.db2.gz AHAOCIVFKAPIHF-OLZOCXBDSA-N 2 0 231.343 1.602 20 0 BDADRP Cc1ccc(F)cc1C[NH2+]C[C@H](C)C[NH3+] ZINC000414878176 385933710 /nfs/dbraw/zinc/93/37/10/385933710.db2.gz NZROJUGTCTYGFQ-SECBINFHSA-N 2 0 210.296 1.819 20 0 BDADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@@H]1CCCNC1 ZINC000414878566 385934675 /nfs/dbraw/zinc/93/46/75/385934675.db2.gz ZYENGEABNQMRKW-NFMDPKQHSA-N 2 0 237.391 1.234 20 0 BDADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]C1CC1 ZINC000335043751 385936422 /nfs/dbraw/zinc/93/64/22/385936422.db2.gz WVHUKJYJTQSQON-UKRRQHHQSA-N 2 0 244.338 1.994 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414973510 385993056 /nfs/dbraw/zinc/99/30/56/385993056.db2.gz ZTQLZTJKFKWQIM-STQMWFEESA-N 3 0 227.396 1.482 20 0 BDADRP COc1cc(C[NH2+]C[C@@H](C)C[NH3+])ccc1C ZINC000414879126 385947321 /nfs/dbraw/zinc/94/73/21/385947321.db2.gz PDHALTFISGORJA-JTQLQIEISA-N 2 0 222.332 1.688 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1[C@H](C)CCC[C@H]1CO ZINC000338281966 385948440 /nfs/dbraw/zinc/94/84/40/385948440.db2.gz NWXWLUBBDCGSDJ-KGLIPLIRSA-N 2 0 242.407 1.954 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CC1(O)CCC1 ZINC000335051545 385949346 /nfs/dbraw/zinc/94/93/46/385949346.db2.gz QUTOIPRQYQWTPR-WDEREUQCSA-N 2 0 212.337 1.151 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](COC)C1 ZINC000338302112 385951286 /nfs/dbraw/zinc/95/12/86/385951286.db2.gz ALKBZYRERHPUBU-CYBMUJFWSA-N 2 0 228.380 1.687 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)[C@H]1C[C@H]1C)N1CC[NH+](C)CC1 ZINC000414082109 385953148 /nfs/dbraw/zinc/95/31/48/385953148.db2.gz FKLUWPPMLMVCIU-MQYQWHSLSA-N 2 0 239.407 1.256 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H](CO)C2)C1 ZINC000304644952 385955269 /nfs/dbraw/zinc/95/52/69/385955269.db2.gz SVIIFRUMPSWDNO-RNJOBUHISA-N 2 0 226.364 1.397 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@H]2CCCOC2)C1 ZINC000251475712 385955789 /nfs/dbraw/zinc/95/57/89/385955789.db2.gz FDYCDIQGHIIYFD-XQQFMLRXSA-N 2 0 226.364 1.472 20 0 BDADRP CC(C)N(C)C(=O)[C@@H](C)N1CCC(C)([NH3+])CC1 ZINC000647924820 385958709 /nfs/dbraw/zinc/95/87/09/385958709.db2.gz NDHGIVQRKDLSDF-LLVKDONJSA-N 2 0 241.379 1.055 20 0 BDADRP CC[NH+](CC)CCCN(C)CC[NH+]1CCCC1 ZINC000338315887 385967507 /nfs/dbraw/zinc/96/75/07/385967507.db2.gz PLVGUIGVVYWGOB-UHFFFAOYSA-N 2 0 241.423 1.746 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@H]1NCC1([NH3+])CCCCC1 ZINC000335012190 385968465 /nfs/dbraw/zinc/96/84/65/385968465.db2.gz WYJPZTDUSNHNNM-VXGBXAGGSA-N 2 0 225.380 1.188 20 0 BDADRP C1C[C@@H](N2CCC[C@]3(CCSC3)C2)C[NH2+]1 ZINC000335012511 385969421 /nfs/dbraw/zinc/96/94/21/385969421.db2.gz ZHJUPVAJKNCJMB-NEPJUHHUSA-N 2 0 226.389 1.567 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414973969 385998647 /nfs/dbraw/zinc/99/86/47/385998647.db2.gz NGAGHXYQFRRNFJ-TUAOUCFPSA-N 2 0 212.337 1.286 20 0 BDADRP COC1(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)CCCC1 ZINC000309504241 386011850 /nfs/dbraw/zinc/01/18/50/386011850.db2.gz MOAJWTLPQBCLRA-RYUDHWBXSA-N 2 0 226.364 1.615 20 0 BDADRP Cc1ccc([C@@H]([NH3+])C(=O)NC[C@H]([NH3+])C(C)C)cc1 ZINC000295331953 386014399 /nfs/dbraw/zinc/01/43/99/386014399.db2.gz ZOPQPNJKMKYPKB-QWHCGFSZSA-N 2 0 249.358 1.094 20 0 BDADRP C[C@H]([NH2+]Cc1ccc2c[nH+]cn2c1)[C@@H]1CCCO1 ZINC000414176248 386019702 /nfs/dbraw/zinc/01/97/02/386019702.db2.gz HHIHATZDFNXTRJ-FZMZJTMJSA-N 2 0 245.326 1.991 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000345160815 386022163 /nfs/dbraw/zinc/02/21/63/386022163.db2.gz QDUPLACHYUQKOW-MCIONIFRSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CCOC(C)(C)C1)C[NH+](C)C ZINC000309731393 386024247 /nfs/dbraw/zinc/02/42/47/386024247.db2.gz FGXMIQTZSVRTDE-VXGBXAGGSA-N 2 0 228.380 1.731 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1NCC1([NH3+])CCCCCC1 ZINC000335060715 386026274 /nfs/dbraw/zinc/02/62/74/386026274.db2.gz QQBUFYKJLPUZBH-RYUDHWBXSA-N 2 0 225.380 1.508 20 0 BDADRP C[C@](CN)([NH2+]CCCC1CC[NH2+]CC1)C1CC1 ZINC000647868548 386030886 /nfs/dbraw/zinc/03/08/86/386030886.db2.gz ROIDYVGDFUKIAL-CQSZACIVSA-N 2 0 239.407 1.483 20 0 BDADRP COC[C@H]([NH2+]Cc1ccc2c[nH+]cn2c1)C1CC1 ZINC000414162428 386044760 /nfs/dbraw/zinc/04/47/60/386044760.db2.gz DLGMQSCDJTVGLQ-AWEZNQCLSA-N 2 0 245.326 1.849 20 0 BDADRP CCCC[C@@H](COC)[NH2+]C[C@@H]([NH3+])CC ZINC000414985374 386104313 /nfs/dbraw/zinc/10/43/13/386104313.db2.gz HQTJQNSSWYFPAC-QWRGUYRKSA-N 2 0 202.342 1.519 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCOC1)C[NH+](C)C ZINC000336738548 386106207 /nfs/dbraw/zinc/10/62/07/386106207.db2.gz KIMDIDOQWFFEDB-FRRDWIJNSA-N 2 0 228.380 1.589 20 0 BDADRP [NH3+][C@H](C[NH2+]C1Cc2ccccc2C1)C1CC1 ZINC000414889172 386111813 /nfs/dbraw/zinc/11/18/13/386111813.db2.gz KXXPQGNTYYXPJK-CQSZACIVSA-N 2 0 216.328 1.481 20 0 BDADRP CC[C@@H]([NH3+])CNCc1ccc(F)cc1C ZINC000414986641 386113119 /nfs/dbraw/zinc/11/31/19/386113119.db2.gz XYTLROPMJNSUAL-GFCCVEGCSA-N 2 0 210.296 1.961 20 0 BDADRP C[C@@H](CC[NH3+])[NH2+]Cc1cccc2c1NCC2 ZINC000414885589 386063036 /nfs/dbraw/zinc/06/30/36/386063036.db2.gz CBNPPJARKONRNN-JTQLQIEISA-N 2 0 219.332 1.482 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000336728281 386066679 /nfs/dbraw/zinc/06/66/79/386066679.db2.gz WUAWFOSDSGDHFD-GFCCVEGCSA-N 3 0 241.423 1.966 20 0 BDADRP CC[C@H]([NH3+])CNC1CC[NH+](C(C)(C)C)CC1 ZINC000414981682 386068089 /nfs/dbraw/zinc/06/80/89/386068089.db2.gz QXTBAVYFMASTEN-NSHDSACASA-N 2 0 227.396 1.576 20 0 BDADRP C[NH2+]C[C@H]1CCCN1C[C@@H]([NH3+])CC(C)C ZINC000414653623 386071128 /nfs/dbraw/zinc/07/11/28/386071128.db2.gz AYJLCZHYWTUPTH-NWDGAFQWSA-N 2 0 213.369 1.044 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414651752 386071947 /nfs/dbraw/zinc/07/19/47/386071947.db2.gz GDBKRLJNFOJCQL-MCIONIFRSA-N 3 0 239.407 1.306 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCCC[C@@H]2CN)CC[NH2+]1 ZINC000414652792 386074576 /nfs/dbraw/zinc/07/45/76/386074576.db2.gz HJAXMIIVHYEHSB-JHJVBQTASA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414655681 386082050 /nfs/dbraw/zinc/08/20/50/386082050.db2.gz DVAMRBDXQPUUGA-LPWJVIDDSA-N 2 0 225.380 1.044 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCN(CC[NH2+]C(C)(C)C)C1 ZINC000414660016 386091514 /nfs/dbraw/zinc/09/15/14/386091514.db2.gz LZOCDYIGZVPKFJ-QWRGUYRKSA-N 2 0 213.369 1.044 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)[C@H](C)O1 ZINC000414282465 386094121 /nfs/dbraw/zinc/09/41/21/386094121.db2.gz NXBJNCIQQDFOKC-MEBFFEOJSA-N 2 0 240.391 1.730 20 0 BDADRP CO[C@@H](C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)C1CC1 ZINC000425482436 386151781 /nfs/dbraw/zinc/15/17/81/386151781.db2.gz QSJVNYVQWBFNBO-KGLIPLIRSA-N 2 0 240.391 1.828 20 0 BDADRP CC[C@H]([NH3+])CN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000414991042 386152145 /nfs/dbraw/zinc/15/21/45/386152145.db2.gz PYQHYIGQDZKPHE-SOUVJXGZSA-N 2 0 247.386 1.807 20 0 BDADRP C[C@@H]1CCC[C@@H]([NH2+]CCN2CC[NH2+]CC2)[C@H]1C ZINC000414893929 386168237 /nfs/dbraw/zinc/16/82/37/386168237.db2.gz ZRGJJZAQGIWPHH-HZSPNIEDSA-N 2 0 239.407 1.306 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000414692228 386181831 /nfs/dbraw/zinc/18/18/31/386181831.db2.gz KLDMQOQYBSFLEH-TZMCWYRMSA-N 2 0 239.407 1.528 20 0 BDADRP C[C@H](O)C[C@@H]1CCC[N@@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414692612 386183604 /nfs/dbraw/zinc/18/36/04/386183604.db2.gz CUVDJJIYGQDXOP-RFGFWPKPSA-N 2 0 240.391 1.610 20 0 BDADRP CC(C)[N@@H+]1CCCN(CC[NH2+]C(C)(C)C)CC1 ZINC000414667995 386127691 /nfs/dbraw/zinc/12/76/91/386127691.db2.gz IDVWQTQNOGMDPB-UHFFFAOYSA-N 2 0 241.423 1.791 20 0 BDADRP CCCN(C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000414670510 386137293 /nfs/dbraw/zinc/13/72/93/386137293.db2.gz LLBJHASANNODAI-MGPQQGTHSA-N 3 0 239.407 1.448 20 0 BDADRP C([C@H]1CC[NH2+]C1)[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000647875052 386142630 /nfs/dbraw/zinc/14/26/30/386142630.db2.gz SYJCKDKEMWDFNJ-RYUDHWBXSA-N 2 0 224.348 1.097 20 0 BDADRP CC[C@@H](COC)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414896619 386204291 /nfs/dbraw/zinc/20/42/91/386204291.db2.gz CIRVHHWSKLVZAF-NSHDSACASA-N 2 0 214.353 1.391 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C[C@H](C)O1 ZINC000414699419 386204826 /nfs/dbraw/zinc/20/48/26/386204826.db2.gz YOGDCOJRSNNUPN-IGQOVBAYSA-N 2 0 240.391 1.874 20 0 BDADRP CC(C)COC1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647881203 386206990 /nfs/dbraw/zinc/20/69/90/386206990.db2.gz SAWNAYUJLAODNZ-CYBMUJFWSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@]3(CCOC3)C2)CC[NH2+]1 ZINC000414702672 386210801 /nfs/dbraw/zinc/21/08/01/386210801.db2.gz JASBLHQZABFZLO-RDBSUJKOSA-N 2 0 238.375 1.487 20 0 BDADRP CC[C@@H]1C[N@H+](CCC[NH3+])[C@@H](CC)CN1C(C)=O ZINC000414707398 386217319 /nfs/dbraw/zinc/21/73/19/386217319.db2.gz NVNFPOUJYWWHCI-QWHCGFSZSA-N 2 0 241.379 1.057 20 0 BDADRP [NH3+][C@H](CNCc1cccc2c1OCO2)C1CC1 ZINC000414897907 386217416 /nfs/dbraw/zinc/21/74/16/386217416.db2.gz SIBUUXHMAMLQPA-LLVKDONJSA-N 2 0 234.299 1.242 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCCOC2)c2ccccc21 ZINC000132109295 386218850 /nfs/dbraw/zinc/21/88/50/386218850.db2.gz KUXJKMIIFIGTHT-HONMWMINSA-N 2 0 232.327 1.900 20 0 BDADRP C[C@@H]([C@H]1Cc2ccccc2O1)[N@H+](C)CCC[NH3+] ZINC000414707660 386219059 /nfs/dbraw/zinc/21/90/59/386219059.db2.gz MZECKIKSLLHUOZ-SMDDNHRTSA-N 2 0 234.343 1.659 20 0 BDADRP CC(C)(C)c1n[nH]cc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000347031674 386224212 /nfs/dbraw/zinc/22/42/12/386224212.db2.gz AIGUWFGFAXGZFF-SNVBAGLBSA-N 2 0 236.363 1.488 20 0 BDADRP CC[N@H+](CCC[NH3+])CCc1cccs1 ZINC000414711548 386228374 /nfs/dbraw/zinc/22/83/74/386228374.db2.gz UGEIQXSCEWBSGB-UHFFFAOYSA-N 2 0 212.362 1.961 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415001220 386229458 /nfs/dbraw/zinc/22/94/58/386229458.db2.gz KRIQEPIGBPWVAS-YFKTTZPYSA-N 2 0 212.337 1.271 20 0 BDADRP CCc1cc(OC)ccc1C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000414898794 386235410 /nfs/dbraw/zinc/23/54/10/386235410.db2.gz BYYFJHAQCKLMJT-GFCCVEGCSA-N 2 0 248.370 1.957 20 0 BDADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+]CCCC[NH3+])C12CCC2 ZINC000414898850 386235583 /nfs/dbraw/zinc/23/55/83/386235583.db2.gz FDWAQRFEKDPROW-IJLUTSLNSA-N 2 0 226.364 1.519 20 0 BDADRP Cc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1C ZINC000090319978 386238547 /nfs/dbraw/zinc/23/85/47/386238547.db2.gz UMFINEDHLVMPMB-GASCZTMLSA-N 2 0 230.355 1.955 20 0 BDADRP CCN(C[C@@H]([NH3+])CC(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000414717309 386241668 /nfs/dbraw/zinc/24/16/68/386241668.db2.gz PPKCSPJQLLAESB-UONOGXRCSA-N 2 0 241.423 1.824 20 0 BDADRP C[C@H](O)C[N@H+](C[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000647884071 386252039 /nfs/dbraw/zinc/25/20/39/386252039.db2.gz CUZABZIFKNEQHA-STQMWFEESA-N 2 0 240.391 1.611 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](CC[C@@H](C)O)C1 ZINC000336645525 386252743 /nfs/dbraw/zinc/25/27/43/386252743.db2.gz IBWQEJSMLWCNPN-VXGBXAGGSA-N 2 0 214.353 1.031 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]C[C@@H]2CCSC2)C1 ZINC000414997351 386194072 /nfs/dbraw/zinc/19/40/72/386194072.db2.gz HFQUYQKUGPGIDM-SDDRHHMPSA-N 2 0 228.405 1.847 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000414997883 386196338 /nfs/dbraw/zinc/19/63/38/386196338.db2.gz ZYVKXENPHOAPCZ-NNYUYHANSA-N 2 0 224.348 1.271 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[C@@](C)(C[NH3+])C1 ZINC000414733663 386295119 /nfs/dbraw/zinc/29/51/19/386295119.db2.gz JYTUCVXOABLXEQ-RYUDHWBXSA-N 3 0 213.369 1.031 20 0 BDADRP CC[NH+](CC)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000336661243 386299408 /nfs/dbraw/zinc/29/94/08/386299408.db2.gz GFESKSILVHYAMW-LBPRGKRZSA-N 2 0 228.380 1.421 20 0 BDADRP C[C@H](O)CCC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000336672507 386304392 /nfs/dbraw/zinc/30/43/92/386304392.db2.gz SXHKFIRSXPGUPP-STQMWFEESA-N 2 0 228.380 1.421 20 0 BDADRP [NH3+]CCCC[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000414901675 386311238 /nfs/dbraw/zinc/31/12/38/386311238.db2.gz JBDVKAUYQLPYLE-UHFFFAOYSA-N 2 0 236.241 1.257 20 0 BDADRP [NH3+]CCCN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000414735999 386311620 /nfs/dbraw/zinc/31/16/20/386311620.db2.gz MIVVEEWGYKUGIH-KGLIPLIRSA-N 2 0 233.359 1.010 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)CC[NH2+]1 ZINC000414738362 386316312 /nfs/dbraw/zinc/31/63/12/386316312.db2.gz JEPSASZRNGYPIY-DGTMBMJNSA-N 2 0 238.375 1.077 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC[NH2+]1 ZINC000414738368 386317118 /nfs/dbraw/zinc/31/71/18/386317118.db2.gz JEPSASZRNGYPIY-RGDJUOJXSA-N 2 0 238.375 1.077 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](O)[C@H](C)C2)CC[NH2+]1 ZINC000414738453 386319123 /nfs/dbraw/zinc/31/91/23/386319123.db2.gz JJBZKTGXQMDYHH-LPWJVIDDSA-N 2 0 226.364 1.077 20 0 BDADRP C[C@H](O)CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000336679530 386321142 /nfs/dbraw/zinc/32/11/42/386321142.db2.gz PMUHZQUHPHPPQP-STQMWFEESA-N 2 0 226.364 1.175 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H](C)N(C)C[C@H]2C)CC[NH2+]1 ZINC000414740952 386321692 /nfs/dbraw/zinc/32/16/92/386321692.db2.gz LYJQWQGZZFUPOG-AAVRWANBSA-N 2 0 239.407 1.399 20 0 BDADRP CO[C@H]1CC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000336652977 386268347 /nfs/dbraw/zinc/26/83/47/386268347.db2.gz XKFGWSVHHYRIFF-NEPJUHHUSA-N 2 0 212.337 1.191 20 0 BDADRP CC[C@@H](C)[N@H+](CCO)CC[C@@H]1CCC[NH+]1C ZINC000336658435 386274214 /nfs/dbraw/zinc/27/42/14/386274214.db2.gz MTLSJBGQQAEFGF-OLZOCXBDSA-N 2 0 228.380 1.564 20 0 BDADRP C[N@H+](C[C@@H]1CC[NH2+]C1)[C@@H](CCO)c1ccccc1 ZINC000647885744 386279723 /nfs/dbraw/zinc/27/97/23/386279723.db2.gz LHKCCFVVDNMCKJ-HIFRSBDPSA-N 2 0 248.370 1.651 20 0 BDADRP Cc1ccn2c(C[NH2+]C[C@@H]3CC[NH2+]C3)cnc2c1 ZINC000414903537 386342173 /nfs/dbraw/zinc/34/21/73/386342173.db2.gz IMFIEYISOJHIAI-GFCCVEGCSA-N 2 0 244.342 1.342 20 0 BDADRP C([C@@H]1CC[NH2+]C1)[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000647888189 386342438 /nfs/dbraw/zinc/34/24/38/386342438.db2.gz YBGXHYDCAGNJES-ZIAGYGMSSA-N 2 0 238.375 1.489 20 0 BDADRP CC[C@@]1(CO)CCC[N@@H+]1C[C@@H]([NH3+])CC(C)C ZINC000414748371 386352373 /nfs/dbraw/zinc/35/23/73/386352373.db2.gz WMSZJUAFTFGPQP-STQMWFEESA-N 2 0 228.380 1.597 20 0 BDADRP CC[N@H+](CCc1nccs1)C[C@H]1CC[NH2+]C1 ZINC000647989652 386361995 /nfs/dbraw/zinc/36/19/95/386361995.db2.gz SCMSUEIVGSGZAQ-NSHDSACASA-N 2 0 239.388 1.617 20 0 BDADRP CC[C@H](COC)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414906204 386371992 /nfs/dbraw/zinc/37/19/92/386371992.db2.gz MFIUHUWLXZVAHY-NEPJUHHUSA-N 2 0 214.353 1.391 20 0 BDADRP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@H](C)C[C@@H]1[C@@H](C)O ZINC000414750898 386376735 /nfs/dbraw/zinc/37/67/35/386376735.db2.gz ZDDNRPZPXHNTBR-RFQIPJPRSA-N 2 0 242.407 1.841 20 0 BDADRP CO[C@@H]1CC[N@H+](CC[C@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000336698616 386384454 /nfs/dbraw/zinc/38/44/54/386384454.db2.gz WVSBZASHWCNEOI-BFHYXJOUSA-N 2 0 240.391 1.970 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCCOC2)C1 ZINC000336717889 386438849 /nfs/dbraw/zinc/43/88/49/386438849.db2.gz WOIBNVKBOIJSGD-KGLIPLIRSA-N 2 0 240.391 1.687 20 0 BDADRP CC[C@@H]1C[C@@H](C[N@H+](C)C2CC([NH3+])C2)CCO1 ZINC000414768082 386443041 /nfs/dbraw/zinc/44/30/41/386443041.db2.gz HEWVPTLLSVDGHJ-YWPUVAFDSA-N 2 0 226.364 1.613 20 0 BDADRP C[N@H+](CC1CC[NH+](C)CC1)C[C@@H]1CCCOC1 ZINC000336716633 386447579 /nfs/dbraw/zinc/44/75/79/386447579.db2.gz VYFDCXGJIUMARD-AWEZNQCLSA-N 2 0 240.391 1.687 20 0 BDADRP C[C@H]1CC2(C[N@@H+]1Cc1ccno1)CC[NH2+]CC2 ZINC000335280020 386394510 /nfs/dbraw/zinc/39/45/10/386394510.db2.gz QMCJSWMWEUOHQG-NSHDSACASA-N 2 0 235.331 1.639 20 0 BDADRP CC[NH+]1CCC(CC[NH2+]C2CC(OC)C2)CC1 ZINC000347423797 386400146 /nfs/dbraw/zinc/40/01/46/386400146.db2.gz IEPJKYIWOIHFCB-UHFFFAOYSA-N 2 0 240.391 1.875 20 0 BDADRP CC[N@@H+]1CC[C@@H](N[C@@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000414909724 386416673 /nfs/dbraw/zinc/41/66/73/386416673.db2.gz CFXRFLQTAJEATB-YNEHKIRRSA-N 2 0 225.380 1.058 20 0 BDADRP CC[C@H]1C[C@@H](C)C[N@@H+]1CCN1CC[NH2+]CC1 ZINC000399160963 386428759 /nfs/dbraw/zinc/42/87/59/386428759.db2.gz KTZIUJBFMMYFIE-OLZOCXBDSA-N 2 0 225.380 1.012 20 0 BDADRP CC[C@@H]1C[C@H](C[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)CCO1 ZINC000414765978 386433932 /nfs/dbraw/zinc/43/39/32/386433932.db2.gz GYOHNRHRPFXNSI-LOWDOPEQSA-N 2 0 226.364 1.613 20 0 BDADRP C[C@@H]1C[C@H](CN2CC[C@H]3[NH2+]CC[C@@H]3C2)CC[NH2+]1 ZINC000414775853 386477188 /nfs/dbraw/zinc/47/71/88/386477188.db2.gz WDSSGBXRWUARHV-AAVRWANBSA-N 2 0 237.391 1.058 20 0 BDADRP CC(C)[C@@H](CO)[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000157146691 386477518 /nfs/dbraw/zinc/47/75/18/386477518.db2.gz RBOFRNOMOOBDPF-NTZNESFSSA-N 2 0 226.364 1.218 20 0 BDADRP [NH3+]CCCC[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000414912910 386481373 /nfs/dbraw/zinc/48/13/73/386481373.db2.gz VGJHBPLDOIUTKR-UHFFFAOYSA-N 2 0 218.304 1.391 20 0 BDADRP C[NH+](C)Cc1cccc(NC(=O)[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000519548654 386483757 /nfs/dbraw/zinc/48/37/57/386483757.db2.gz WWNIAQFWJVPKMS-TXEJJXNPSA-N 2 0 247.342 1.424 20 0 BDADRP CC[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CC[C@H]1[NH3+] ZINC000647935089 386487655 /nfs/dbraw/zinc/48/76/55/386487655.db2.gz ZAOBPOACPXQZKR-YNEHKIRRSA-N 2 0 225.380 1.045 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H]2C[C@@](C)(O)C2)CC1 ZINC000417354470 386490565 /nfs/dbraw/zinc/49/05/65/386490565.db2.gz LUVVQAXTZJUQCM-BETUJISGSA-N 2 0 226.364 1.364 20 0 BDADRP CCc1cnc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)s1 ZINC000415042406 386529523 /nfs/dbraw/zinc/52/95/23/386529523.db2.gz QSJZTLATNSEPBO-UWVGGRQHSA-N 2 0 239.388 1.923 20 0 BDADRP C[C@@]1(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CC[NH2+]C1 ZINC000415018130 386503681 /nfs/dbraw/zinc/50/36/81/386503681.db2.gz BKANNHBJYGOCMT-MGPQQGTHSA-N 3 0 239.407 1.341 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CC[NH2+]C2(C)C)CC[NH2+]1 ZINC000415050435 386504817 /nfs/dbraw/zinc/50/48/17/386504817.db2.gz YRZWLMQEFDQTIA-GRYCIOLGSA-N 3 0 225.380 1.105 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+][C@H]2CC[NH2+]C2(C)C)CC[NH2+]1 ZINC000415050440 386506515 /nfs/dbraw/zinc/50/65/15/386506515.db2.gz YRZWLMQEFDQTIA-WOPDTQHZSA-N 3 0 225.380 1.105 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000415020360 386507907 /nfs/dbraw/zinc/50/79/07/386507907.db2.gz XIGRMNYJCPMANL-FDYHWXHSSA-N 2 0 240.391 1.907 20 0 BDADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cccc3c2OCO3)C1 ZINC000415051695 386509262 /nfs/dbraw/zinc/50/92/62/386509262.db2.gz ZNRMLDLBXCBBFJ-PWSUYJOCSA-N 2 0 248.326 1.632 20 0 BDADRP Cn1ncc(Cl)c1C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415051897 386509723 /nfs/dbraw/zinc/50/97/23/386509723.db2.gz ZZBGAFYEXSDVIX-BDAKNGLRSA-N 2 0 242.754 1.291 20 0 BDADRP Cc1ccc(O)c(C[NH2+][C@@H](C)CCC[NH3+])n1 ZINC000415025882 386514608 /nfs/dbraw/zinc/51/46/08/386514608.db2.gz RYASFRJGSCHRLT-VIFPVBQESA-N 2 0 223.320 1.313 20 0 BDADRP CC(C)([NH3+])CN1CC[C@H](c2cccnc2)C1 ZINC000335447699 386514627 /nfs/dbraw/zinc/51/46/27/386514627.db2.gz ICLNJCJHXRNESZ-LBPRGKRZSA-N 2 0 219.332 1.608 20 0 BDADRP Cc1ccc(O)c(C[NH2+][C@H](C)CCC[NH3+])n1 ZINC000415025880 386514745 /nfs/dbraw/zinc/51/47/45/386514745.db2.gz RYASFRJGSCHRLT-SECBINFHSA-N 2 0 223.320 1.313 20 0 BDADRP CCOc1cccc(C[NH2+][C@@H](C)CCC[NH3+])n1 ZINC000415027369 386516453 /nfs/dbraw/zinc/51/64/53/386516453.db2.gz WNAUILATVVWTTB-NSHDSACASA-N 2 0 237.347 1.697 20 0 BDADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000519643308 386517479 /nfs/dbraw/zinc/51/74/79/386517479.db2.gz VXGMNKOABXHCSA-UTUOFQBUSA-N 2 0 243.395 1.095 20 0 BDADRP CCCn1cc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cn1 ZINC000415031596 386519638 /nfs/dbraw/zinc/51/96/38/386519638.db2.gz HHVAAESNYXVWDF-DGCLKSJQSA-N 2 0 236.363 1.510 20 0 BDADRP C[C@H](C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)Cc1ccccc1 ZINC000415031264 386519855 /nfs/dbraw/zinc/51/98/55/386519855.db2.gz GCIPPCQVBPPJOS-SPWCGHHHSA-N 2 0 230.355 1.673 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@@H]1C ZINC000415030602 386519997 /nfs/dbraw/zinc/51/99/97/386519997.db2.gz FDMSCGIGXIAPPN-USTYEKHQSA-N 2 0 208.349 1.619 20 0 BDADRP CCC(CC)C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415036388 386523662 /nfs/dbraw/zinc/52/36/62/386523662.db2.gz JTLSIUJFLUMNAL-GFCCVEGCSA-N 2 0 214.353 1.391 20 0 BDADRP CC(C)CC[C@@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000414787542 386525376 /nfs/dbraw/zinc/52/53/76/386525376.db2.gz YZBPURVXBYBNOH-CQSZACIVSA-N 2 0 241.423 1.696 20 0 BDADRP C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C1 ZINC000415040907 386526417 /nfs/dbraw/zinc/52/64/17/386526417.db2.gz OQLNMMUURQCAFS-JHJVBQTASA-N 2 0 226.364 1.533 20 0 BDADRP CC[C@@H]1C[N@H+](CCCOC(C)C)CC[C@@H]1[NH3+] ZINC000647936457 386527288 /nfs/dbraw/zinc/52/72/88/386527288.db2.gz FJBMZKJLKOXXFW-OLZOCXBDSA-N 2 0 228.380 1.861 20 0 BDADRP C[C@H](CCc1ccsc1)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415041674 386527857 /nfs/dbraw/zinc/52/78/57/386527857.db2.gz RORRHPYFTILHCJ-XEZLXBQYSA-N 2 0 236.384 1.877 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+](C)Cc2ccnn2C)CC[NH2+]1 ZINC000414770225 386454660 /nfs/dbraw/zinc/45/46/60/386454660.db2.gz XVGDKWXUCNRTSF-VXGBXAGGSA-N 2 0 236.363 1.240 20 0 BDADRP CC[C@@H]1C[N@H+](CCOCC2CC2)CC[C@H]1[NH3+] ZINC000647936508 386528331 /nfs/dbraw/zinc/52/83/31/386528331.db2.gz GLQXTHZYILOPCX-CHWSQXEVSA-N 2 0 226.364 1.472 20 0 BDADRP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]CCCC1CCCCC1 ZINC000414773397 386465653 /nfs/dbraw/zinc/46/56/53/386465653.db2.gz AEFNRBHYTRSACE-KBPBESRZSA-N 2 0 240.391 1.517 20 0 BDADRP COCCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978047 386576501 /nfs/dbraw/zinc/57/65/01/386576501.db2.gz LPLCNSTZSUGYPR-KGLIPLIRSA-N 2 0 240.391 1.735 20 0 BDADRP COCCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978048 386577060 /nfs/dbraw/zinc/57/70/60/386577060.db2.gz LPLCNSTZSUGYPR-UONOGXRCSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@H](C[NH3+])NCc1cc(-n2ccnc2)cs1 ZINC000414921131 386581508 /nfs/dbraw/zinc/58/15/08/386581508.db2.gz AJFQDPVOKKIMDK-SECBINFHSA-N 3 0 236.344 1.371 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[NH2+][C@H](C)Cn1cccn1 ZINC000415079878 386584950 /nfs/dbraw/zinc/58/49/50/386584950.db2.gz IJSCXISYTRGHDM-VXGBXAGGSA-N 2 0 224.352 1.235 20 0 BDADRP CC(C)([NH3+])CNCc1cnn(-c2ccccc2)c1 ZINC000414799738 386592578 /nfs/dbraw/zinc/59/25/78/386592578.db2.gz GXHDZXVFQZETFR-UHFFFAOYSA-N 2 0 244.342 1.699 20 0 BDADRP CC(C)[C@@H]([NH3+])CNCc1cccc2c[nH]nc21 ZINC000414802283 386594686 /nfs/dbraw/zinc/59/46/86/386594686.db2.gz VKVLAEILFXKVRB-LBPRGKRZSA-N 2 0 232.331 1.636 20 0 BDADRP CC(C)[C@@H]([NH3+])CN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000414802371 386595665 /nfs/dbraw/zinc/59/56/65/386595665.db2.gz VOCPZIMCJBHGKP-RDBSUJKOSA-N 2 0 241.423 1.870 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000519698024 386530956 /nfs/dbraw/zinc/53/09/56/386530956.db2.gz AHOUYIMUKVHDDQ-QWHCGFSZSA-N 3 0 225.380 1.188 20 0 BDADRP C[C@H](CC1CCCC1)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415046263 386531806 /nfs/dbraw/zinc/53/18/06/386531806.db2.gz UWKTUCRJZIVJOZ-TZMCWYRMSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H](CC1CCCC1)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415046262 386532178 /nfs/dbraw/zinc/53/21/78/386532178.db2.gz UWKTUCRJZIVJOZ-OCCSQVGLSA-N 2 0 240.391 1.923 20 0 BDADRP CCC[C@@H](CC)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415045214 386532285 /nfs/dbraw/zinc/53/22/85/386532285.db2.gz SZURJZKITLVXTE-NEPJUHHUSA-N 2 0 214.353 1.533 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)CCn1cccn1 ZINC000353533242 386535544 /nfs/dbraw/zinc/53/55/44/386535544.db2.gz CHVGRPRVNXEYNH-OLZOCXBDSA-N 2 0 238.379 1.592 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCCC1CCOCC1 ZINC000414790887 386537129 /nfs/dbraw/zinc/53/71/29/386537129.db2.gz AOYYUEJLCXEXPC-ZIAGYGMSSA-N 2 0 240.391 1.910 20 0 BDADRP Cc1ccc([C@H]([NH3+])C(=O)NC[C@@H](C)[NH+](C)C)cc1 ZINC000228093196 386540378 /nfs/dbraw/zinc/54/03/78/386540378.db2.gz ZIYLYGHPEYCZRG-YPMHNXCESA-N 2 0 249.358 1.061 20 0 BDADRP [NH3+]C[C@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000519711313 386541537 /nfs/dbraw/zinc/54/15/37/386541537.db2.gz OJTFAOGBIZWHSX-CHWSQXEVSA-N 3 0 225.380 1.047 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000519711318 386542966 /nfs/dbraw/zinc/54/29/66/386542966.db2.gz OJTFAOGBIZWHSX-OLZOCXBDSA-N 3 0 225.380 1.047 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+][C@@H]2CCCC[NH2+]C2)CCO1 ZINC000415070286 386550565 /nfs/dbraw/zinc/55/05/65/386550565.db2.gz QMQBTGYLVUBXHA-MGPQQGTHSA-N 2 0 240.391 1.923 20 0 BDADRP CC(C)(C)[NH2+]CCNCCC[NH2+]C1CC1 ZINC000415068285 386551488 /nfs/dbraw/zinc/55/14/88/386551488.db2.gz MHSYRIBEVJGHRY-UHFFFAOYSA-N 2 0 213.369 1.106 20 0 BDADRP C([C@@H]1CCOC1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063197860 386557029 /nfs/dbraw/zinc/55/70/29/386557029.db2.gz YFUBUGCELNWNNK-JSGCOSHPSA-N 2 0 238.375 1.487 20 0 BDADRP COC[C@@H](CC(C)C)[NH2+]C[C@@H]([NH3+])C(C)C ZINC000414794814 386561966 /nfs/dbraw/zinc/56/19/66/386561966.db2.gz MFNBCYFWRHXQHJ-VXGBXAGGSA-N 2 0 216.369 1.620 20 0 BDADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000414793101 386563183 /nfs/dbraw/zinc/56/31/83/386563183.db2.gz JUENMMQTRWRMQH-FDYHWXHSSA-N 2 0 238.375 1.517 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC000415073552 386564552 /nfs/dbraw/zinc/56/45/52/386564552.db2.gz NPQCICIGZDHHSX-UPJWGTAASA-N 3 0 225.380 1.106 20 0 BDADRP COCC(C)(C)C[NH2+]C[C@@H]([NH3+])C(C)C ZINC000414796181 386567669 /nfs/dbraw/zinc/56/76/69/386567669.db2.gz NSXRBPVHMDAZJU-SNVBAGLBSA-N 2 0 202.342 1.232 20 0 BDADRP COC1CCC([NH2+][C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000414803261 386599063 /nfs/dbraw/zinc/59/90/63/386599063.db2.gz NLCXHUVRXKGLRB-WTIISPKJSA-N 2 0 226.364 1.661 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+]CC1CCOCC1 ZINC000415102843 386623132 /nfs/dbraw/zinc/62/31/32/386623132.db2.gz JZXKVAJNDGPJQT-LBPRGKRZSA-N 2 0 214.353 1.376 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2C[NH3+])CCO1 ZINC000414809030 386625454 /nfs/dbraw/zinc/62/54/54/386625454.db2.gz TUZCBZHMAYBLNX-DGAVXFQQSA-N 2 0 240.391 1.907 20 0 BDADRP Cc1cc(CC[NH2+]CC(C)(C)[NH3+])cc(C)c1O ZINC000415115368 386629663 /nfs/dbraw/zinc/62/96/63/386629663.db2.gz YIEDWGBZSDLFGW-UHFFFAOYSA-N 2 0 236.359 1.878 20 0 BDADRP CC[NH+](CC)CCCNC[C@]1(C)CC[NH2+]C1 ZINC000415116684 386630628 /nfs/dbraw/zinc/63/06/28/386630628.db2.gz UZERTPMOWGMMQJ-ZDUSSCGKSA-N 2 0 227.396 1.308 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@@H](CF)C2)CC[NH2+]1 ZINC000415120679 386632226 /nfs/dbraw/zinc/63/22/26/386632226.db2.gz JAUOZOPUVYZGPF-WOPDTQHZSA-N 2 0 230.327 1.045 20 0 BDADRP CCCC[C@@H](CN)[NH2+]CC1CC[NH2+]CC1 ZINC000414814883 386649206 /nfs/dbraw/zinc/64/92/06/386649206.db2.gz OLYPIXRZPJBBGH-LBPRGKRZSA-N 2 0 213.369 1.093 20 0 BDADRP CCC([NH3+])(CC)CNC[C@]1(C)CC[NH2+]C1 ZINC000414815832 386651850 /nfs/dbraw/zinc/65/18/50/386651850.db2.gz YINANFDFQYHZTC-LLVKDONJSA-N 2 0 213.369 1.093 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@H](CO)c2ccccc2)CC1 ZINC000415082184 386599765 /nfs/dbraw/zinc/59/97/65/386599765.db2.gz OBSWCPDEQMLSCC-PESDSKBTSA-N 2 0 248.370 1.827 20 0 BDADRP CC1(C)CCC[C@@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C1 ZINC000335487471 386602788 /nfs/dbraw/zinc/60/27/88/386602788.db2.gz LQNDQKZSGDDPMG-OLZOCXBDSA-N 2 0 240.391 1.923 20 0 BDADRP CCOC[C@H](C)[NH2+]CC([NH3+])(CC)CC ZINC000414804062 386605117 /nfs/dbraw/zinc/60/51/17/386605117.db2.gz DSOGBCYFPJNJBB-JTQLQIEISA-N 2 0 202.342 1.519 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)[C@@H]1CCCO1 ZINC000415088206 386607656 /nfs/dbraw/zinc/60/76/56/386607656.db2.gz UYFCAHAUMCBDIG-RNJOBUHISA-N 2 0 226.364 1.532 20 0 BDADRP CN(CC[N@H+](C)C1CC1)Cc1ccnc(N)c1 ZINC000278952218 386609622 /nfs/dbraw/zinc/60/96/22/386609622.db2.gz YXQHYLFGALIZOQ-UHFFFAOYSA-N 2 0 234.347 1.190 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@@H]1CCC[NH2+]CC1 ZINC000414805208 386612760 /nfs/dbraw/zinc/61/27/60/386612760.db2.gz AGFSWKJXBKOLAG-VXGBXAGGSA-N 2 0 213.369 1.236 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H]1CCO ZINC000415096383 386614864 /nfs/dbraw/zinc/61/48/64/386614864.db2.gz PQGKNQMXOTYLSA-VXGBXAGGSA-N 2 0 214.353 1.207 20 0 BDADRP Cc1ccncc1CCC[N@@H+]1CC[C@H](CO)C1 ZINC000278976116 386615248 /nfs/dbraw/zinc/61/52/48/386615248.db2.gz OZGAFGDVTZDWFX-ZDUSSCGKSA-N 2 0 234.343 1.637 20 0 BDADRP C1[C@@H]2[C@H]1CCC[C@@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000415108449 386616370 /nfs/dbraw/zinc/61/63/70/386616370.db2.gz KTCYEEQFMIQBIT-RVMXOQNASA-N 2 0 208.349 1.907 20 0 BDADRP C1[C@@H]2[C@H]1CCC[C@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000415108451 386617040 /nfs/dbraw/zinc/61/70/40/386617040.db2.gz KTCYEEQFMIQBIT-WUHRBBMRSA-N 2 0 208.349 1.907 20 0 BDADRP Cc1ccc(C[C@@H](CO)[NH2+]CC(C)(C)[NH3+])cc1 ZINC000415106814 386617312 /nfs/dbraw/zinc/61/73/12/386617312.db2.gz ODSQWDWMASKCHW-ZDUSSCGKSA-N 2 0 236.359 1.225 20 0 BDADRP COC(=O)C(C)(C)C[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415098926 386617773 /nfs/dbraw/zinc/61/77/73/386617773.db2.gz GDJNEPJZPBFXDQ-GHMZBOCLSA-N 2 0 242.363 1.163 20 0 BDADRP CCCC[C@@H](C[NH3+])NC1CC[NH+](C(C)C)CC1 ZINC000414819416 386659831 /nfs/dbraw/zinc/65/98/31/386659831.db2.gz YRISFIWAPHQBIZ-AWEZNQCLSA-N 2 0 241.423 1.966 20 0 BDADRP C[C@@]1(C[NH3+])CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647954657 386682055 /nfs/dbraw/zinc/68/20/55/386682055.db2.gz GAYJUUBGIMPCJU-AWEZNQCLSA-N 3 0 239.407 1.437 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+]2)CCO1 ZINC000414820374 386664734 /nfs/dbraw/zinc/66/47/34/386664734.db2.gz AQEYXLVJKWJDSN-AGIUHOORSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCC[NH2+]C1 ZINC000414926915 386673619 /nfs/dbraw/zinc/67/36/19/386673619.db2.gz OFEVZYVUOCBSPI-MELADBBJSA-N 2 0 239.407 1.639 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CN(C2CC2)C[C@H]1C)C(C)C ZINC000352834694 386680308 /nfs/dbraw/zinc/68/03/08/386680308.db2.gz VWOZRISCUUQXPL-MRVWCRGKSA-N 2 0 240.391 1.730 20 0 BDADRP C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1CCOCC[NH3+] ZINC000357069959 386710035 /nfs/dbraw/zinc/71/00/35/386710035.db2.gz IDUIBVMIEAKXKU-ZFWWWQNUSA-N 2 0 248.370 1.840 20 0 BDADRP C[N@H+](CCOCC[NH3+])[C@@H]1CCc2ccccc2C1 ZINC000357073472 386711253 /nfs/dbraw/zinc/71/12/53/386711253.db2.gz LRVKLONGHNEYKB-OAHLLOKOSA-N 2 0 248.370 1.451 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000414830831 386711501 /nfs/dbraw/zinc/71/15/01/386711501.db2.gz CMMQJBZXWRIVJE-KXNHARMFSA-N 2 0 226.364 1.245 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+]C[C@H](N)c2ccccc2)CC[NH2+]1 ZINC000414828574 386698196 /nfs/dbraw/zinc/69/81/96/386698196.db2.gz IXQXZGYONCHNRR-IPYPFGDCSA-N 2 0 247.386 1.664 20 0 BDADRP CCn1nccc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414928003 386706985 /nfs/dbraw/zinc/70/69/85/386706985.db2.gz PTJAOTONVNMBIA-GHMZBOCLSA-N 2 0 222.336 1.263 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN[C@H](C[NH3+])C1CCCCC1 ZINC000414830067 386707027 /nfs/dbraw/zinc/70/70/27/386707027.db2.gz ALHYVZQBWZUOBW-ZIAGYGMSSA-N 2 0 241.423 1.857 20 0 BDADRP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)CCO1 ZINC000414837124 386733617 /nfs/dbraw/zinc/73/36/17/386733617.db2.gz VPBDKWHBEDBUSO-IHRRRGAJSA-N 2 0 240.391 1.779 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000357071469 386712490 /nfs/dbraw/zinc/71/24/90/386712490.db2.gz CCBXLKNNZAGZFA-CQSZACIVSA-N 2 0 249.358 1.148 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000414831712 386713310 /nfs/dbraw/zinc/71/33/10/386713310.db2.gz DMGOJPVZFJPGCJ-XQQFMLRXSA-N 2 0 228.380 1.635 20 0 BDADRP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)CC ZINC000393725597 386716278 /nfs/dbraw/zinc/71/62/78/386716278.db2.gz YVOXMKFGCUPKTA-QJPTWQEYSA-N 2 0 216.369 1.323 20 0 BDADRP C[C@H]1CC[C@@H]([NH2+]CCCN(C)CC[NH+](C)C)C1 ZINC000623088024 386724944 /nfs/dbraw/zinc/72/49/44/386724944.db2.gz SRWVRRTYSCMECQ-UONOGXRCSA-N 2 0 241.423 1.648 20 0 BDADRP CC[C@H](C)C[NH2+]CCCN(C)CC[NH+](C)C ZINC000623088099 386725033 /nfs/dbraw/zinc/72/50/33/386725033.db2.gz WHXQAPMUOGNDCS-ZDUSSCGKSA-N 2 0 229.412 1.506 20 0 BDADRP CCOC[C@@H](C)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414834320 386725613 /nfs/dbraw/zinc/72/56/13/386725613.db2.gz HIBDRDPJCLFFMF-VXGBXAGGSA-N 2 0 214.353 1.391 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc2c[nH]nc2c1 ZINC000334141054 386740846 /nfs/dbraw/zinc/74/08/46/386740846.db2.gz DOQIKTSGDHRSQX-ZYHUDNBSSA-N 2 0 244.342 1.732 20 0 BDADRP COC(=O)C(C)(C)CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000414930172 386747620 /nfs/dbraw/zinc/74/76/20/386747620.db2.gz SOKNQEGKDBVYEX-QWRGUYRKSA-N 2 0 242.363 1.435 20 0 BDADRP COC(=O)C(C)(C)CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000414930173 386747763 /nfs/dbraw/zinc/74/77/63/386747763.db2.gz SOKNQEGKDBVYEX-WDEREUQCSA-N 2 0 242.363 1.435 20 0 BDADRP CC[C@@H]1C[C@@H](C[NH2+]C[C@@H]2CCC[NH2+]2)CCO1 ZINC000414841326 386754361 /nfs/dbraw/zinc/75/43/61/386754361.db2.gz HTYMCSWZVSEQCP-RWMBFGLXSA-N 2 0 226.364 1.533 20 0 BDADRP N[C@H](C[NH2+]C1CCC([NH3+])CC1)c1ccccc1 ZINC000414842963 386757708 /nfs/dbraw/zinc/75/77/08/386757708.db2.gz ZWAKAJNHMBVQAB-JXQTWKCFSA-N 2 0 233.359 1.546 20 0 BDADRP CC[NH2+]CCN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000414842666 386763180 /nfs/dbraw/zinc/76/31/80/386763180.db2.gz IXFYOTCNTVAZRV-LSDHHAIUSA-N 2 0 247.386 1.679 20 0 BDADRP Cc1nc(C)c(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)s1 ZINC000122327053 386740990 /nfs/dbraw/zinc/74/09/90/386740990.db2.gz KUDNUPGNGMTRLZ-GZMMTYOYSA-N 2 0 239.388 1.929 20 0 BDADRP [NH3+][C@@H](CNC[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000414838914 386741947 /nfs/dbraw/zinc/74/19/47/386741947.db2.gz VXJGBLQAOSRJBV-JSGCOSHPSA-N 2 0 233.359 1.276 20 0 BDADRP CCn1nc(C)c(CNC[C@@H](C)C[NH2+]C)c1C ZINC000414839208 386742231 /nfs/dbraw/zinc/74/22/31/386742231.db2.gz LYHNLEODDHMNDF-JTQLQIEISA-N 2 0 238.379 1.465 20 0 BDADRP C[C@@H]1COCC[C@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000192129236 386742733 /nfs/dbraw/zinc/74/27/33/386742733.db2.gz PIUIYZIGMLEROC-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@H]([NH3+])CC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000357369185 386770266 /nfs/dbraw/zinc/77/02/66/386770266.db2.gz XKZXXTBIXBFUCT-NSHDSACASA-N 2 0 241.379 1.091 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)CC1CCOCC1 ZINC000414844975 386786380 /nfs/dbraw/zinc/78/63/80/386786380.db2.gz RZTYCMHGNOIUOJ-NEPJUHHUSA-N 2 0 228.380 1.637 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCN1CCCCC1 ZINC000336673658 386834437 /nfs/dbraw/zinc/83/44/37/386834437.db2.gz UEESAKVHUWZBJK-CYBMUJFWSA-N 2 0 227.396 1.579 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000398595284 386849710 /nfs/dbraw/zinc/84/97/10/386849710.db2.gz WWGVOLFNSZWCTP-AGIUHOORSA-N 2 0 228.380 1.645 20 0 BDADRP CC1(C)CCC[NH2+][C@@H]1C[NH2+]CC1CC[NH2+]CC1 ZINC000414937918 386855912 /nfs/dbraw/zinc/85/59/12/386855912.db2.gz XUPYTNRFJIXPHU-CYBMUJFWSA-N 3 0 239.407 1.354 20 0 BDADRP CS[C@@H]1CC[C@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000425350371 386867664 /nfs/dbraw/zinc/86/76/64/386867664.db2.gz LKXSJPVZBOCESU-VXGBXAGGSA-N 2 0 228.405 1.956 20 0 BDADRP C(C[N@@H+]1CCO[C@H]2CCC[C@H]21)[C@@H]1CCC[NH2+]C1 ZINC000051919585 386872870 /nfs/dbraw/zinc/87/28/70/386872870.db2.gz LFKHSYNDUJJOKI-MJBXVCDLSA-N 2 0 238.375 1.629 20 0 BDADRP [NH3+]CC1CCC(N[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000334833298 386873144 /nfs/dbraw/zinc/87/31/44/386873144.db2.gz OOPCFSPCAPJLSY-ILDUYXDCSA-N 2 0 247.333 1.091 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)C[C@@H]1CCCO1 ZINC000051919139 386873820 /nfs/dbraw/zinc/87/38/20/386873820.db2.gz DQRRMQIZWMGART-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1CCO ZINC000331662915 386878556 /nfs/dbraw/zinc/87/85/56/386878556.db2.gz QMBKGMOAJNFDHG-DGAVXFQQSA-N 2 0 240.391 1.787 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCC[C@H]1CCO ZINC000331662910 386879683 /nfs/dbraw/zinc/87/96/83/386879683.db2.gz QMBKGMOAJNFDHG-CRWXNKLISA-N 2 0 240.391 1.787 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000331645891 386879803 /nfs/dbraw/zinc/87/98/03/386879803.db2.gz UQAYDIWPYCUSDR-PUPMMZHASA-N 2 0 245.370 1.848 20 0 BDADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000331668053 386882240 /nfs/dbraw/zinc/88/22/40/386882240.db2.gz RHQDHYQKSSQBTN-YVECIDJPSA-N 3 0 225.380 1.363 20 0 BDADRP C[NH+]1CCC(NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000334865303 386921780 /nfs/dbraw/zinc/92/17/80/386921780.db2.gz SAAWGVYRUVGGQG-ZDUSSCGKSA-N 2 0 239.407 1.448 20 0 BDADRP CC1(C)CCC[NH2+][C@H]1CN[C@H]1CCC[NH2+]CC1 ZINC000334865312 386922287 /nfs/dbraw/zinc/92/22/87/386922287.db2.gz SIVODXRWOJWLND-STQMWFEESA-N 2 0 239.407 1.496 20 0 BDADRP CC[C@H](O)CC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000331903112 386923688 /nfs/dbraw/zinc/92/36/88/386923688.db2.gz FJMLYWRIQJIRDM-SDDRHHMPSA-N 2 0 214.353 1.397 20 0 BDADRP Cc1n[nH]cc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000334866732 386924447 /nfs/dbraw/zinc/92/44/47/386924447.db2.gz CFBNXJIRPGGVLR-JSGCOSHPSA-N 2 0 248.374 1.682 20 0 BDADRP CCC([NH3+])(CC)CN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000331910106 386924583 /nfs/dbraw/zinc/92/45/83/386924583.db2.gz FWPYGYCPFMVXHP-VXGBXAGGSA-N 2 0 227.396 1.482 20 0 BDADRP C[C@]1(C[NH2+][C@H]2CCCOCC2)CCC[NH2+]C1 ZINC000334873915 386935425 /nfs/dbraw/zinc/93/54/25/386935425.db2.gz KNKIBBFNNDXBRR-STQMWFEESA-N 2 0 226.364 1.535 20 0 BDADRP CC(C)(C)[NH+]1CCC([NH2+]CCN2CCC2)CC1 ZINC000358351163 386938166 /nfs/dbraw/zinc/93/81/66/386938166.db2.gz KXVAMFWFISYZLZ-UHFFFAOYSA-N 2 0 239.407 1.545 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000358358917 386941502 /nfs/dbraw/zinc/94/15/02/386941502.db2.gz ZINANCLIUBVYHF-SGMGOOAPSA-N 2 0 240.391 1.467 20 0 BDADRP CCC(O)(CC)C[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000352905684 386956385 /nfs/dbraw/zinc/95/63/85/386956385.db2.gz UPTYIANJNBBDJQ-WCQYABFASA-N 2 0 240.391 1.610 20 0 BDADRP C[C@@H](CN[C@@H](C)[C@@H]1CCCC[NH2+]1)[N@H+](C)C1CC1 ZINC000395205991 386999365 /nfs/dbraw/zinc/99/93/65/386999365.db2.gz ONNBQKKKQUOKAJ-OBJOEFQTSA-N 2 0 239.407 1.589 20 0 BDADRP CCC[C@H](O)C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000332055251 386949965 /nfs/dbraw/zinc/94/99/65/386949965.db2.gz XBJZCIJQECZXGN-TUAOUCFPSA-N 2 0 214.353 1.397 20 0 BDADRP c1ccc2c(c1)CCN[C@@H]2C[NH2+]C1CCOCC1 ZINC000334820624 386950115 /nfs/dbraw/zinc/95/01/15/386950115.db2.gz SCYTVQBXMXPJDJ-OAHLLOKOSA-N 2 0 246.354 1.642 20 0 BDADRP [NH3+]CCN1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000334966031 387047542 /nfs/dbraw/zinc/04/75/42/387047542.db2.gz DWKHDETWLHGKEP-GFCCVEGCSA-N 2 0 248.374 1.358 20 0 BDADRP [NH3+][C@@H]1C[C@H](N[C@H]2CCCC[NH2+]C2)c2ccccc21 ZINC000333829221 387058452 /nfs/dbraw/zinc/05/84/52/387058452.db2.gz MFOLTDJBZAVHOA-GLQYFDAESA-N 2 0 245.370 1.863 20 0 BDADRP CC[C@H](O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000369654304 387059090 /nfs/dbraw/zinc/05/90/90/387059090.db2.gz CPUYYNNVOGNHHE-ZOBORPQBSA-N 2 0 238.375 1.173 20 0 BDADRP CCC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000334935344 387012858 /nfs/dbraw/zinc/01/28/58/387012858.db2.gz DGURPMPFQDOJPP-KGLIPLIRSA-N 2 0 239.407 1.354 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000333119181 387018611 /nfs/dbraw/zinc/01/86/11/387018611.db2.gz HVNZLUYJRXNVRK-RWMBFGLXSA-N 3 0 225.380 1.236 20 0 BDADRP C[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)[C@H](C)CN1 ZINC000334983419 387069622 /nfs/dbraw/zinc/06/96/22/387069622.db2.gz KBMUCMSDUDWAEB-VXGBXAGGSA-N 2 0 225.380 1.058 20 0 BDADRP CCCCC[N@H+](CCO)CCC1CC[NH2+]CC1 ZINC000359227350 387070679 /nfs/dbraw/zinc/07/06/79/387070679.db2.gz WLHQVALIIKLFSU-UHFFFAOYSA-N 2 0 242.407 1.861 20 0 BDADRP Cc1ccsc1[C@H](C)[NH2+]CC1C[NH2+]C1 ZINC000423299732 387130354 /nfs/dbraw/zinc/13/03/54/387130354.db2.gz CDASAGGDGRITCO-VIFPVBQESA-N 2 0 210.346 1.927 20 0 BDADRP C[C@H](CCc1ccc(F)cc1)[NH2+]CC1C[NH2+]C1 ZINC000423299793 387130505 /nfs/dbraw/zinc/13/05/05/387130505.db2.gz CNWBORRCTFKIHR-LLVKDONJSA-N 2 0 236.334 1.956 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000423298878 387130539 /nfs/dbraw/zinc/13/05/39/387130539.db2.gz PBLZOVWFHYUUPX-MJBXVCDLSA-N 2 0 241.423 1.824 20 0 BDADRP CN(CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000359302135 387082452 /nfs/dbraw/zinc/08/24/52/387082452.db2.gz IWIFBQKSPQIPCG-ZIAGYGMSSA-N 2 0 245.370 1.274 20 0 BDADRP C(C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)[C@H]1CCCO1 ZINC000334994871 387086472 /nfs/dbraw/zinc/08/64/72/387086472.db2.gz VSXCLHJKXVVSFR-KGLIPLIRSA-N 2 0 238.375 1.631 20 0 BDADRP C(C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)[C@H]1CCC[NH2+]C1 ZINC000334996826 387087745 /nfs/dbraw/zinc/08/77/45/387087745.db2.gz VYUNURGCAHGILO-KGLIPLIRSA-N 3 0 237.391 1.062 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CC(C)(F)C1 ZINC000335004745 387099341 /nfs/dbraw/zinc/09/93/41/387099341.db2.gz DTPPEROUUJBIKA-VOBJUBJWSA-N 2 0 214.328 1.855 20 0 BDADRP C[C@H]1C[C@@H](NCC2([NH3+])CCCCC2)CC[N@@H+]1C ZINC000335011478 387107433 /nfs/dbraw/zinc/10/74/33/387107433.db2.gz SXIJHRFSZPCIKQ-STQMWFEESA-N 2 0 239.407 1.720 20 0 BDADRP CCSCC[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000336766452 387109701 /nfs/dbraw/zinc/10/97/01/387109701.db2.gz ROKNXGFMBHZGBO-PWSUYJOCSA-N 2 0 228.405 1.812 20 0 BDADRP [NH3+]CCCC[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000062707836 387110720 /nfs/dbraw/zinc/11/07/20/387110720.db2.gz KKAPFUMJWSONKG-UHFFFAOYSA-N 2 0 232.249 1.932 20 0 BDADRP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C2CC[NH2+]CC2)CCO1 ZINC000335026361 387119235 /nfs/dbraw/zinc/11/92/35/387119235.db2.gz MOGAUUDWDIIJAZ-STQMWFEESA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H]([NH2+][C@H]1CCc2ccccc21)C1C[NH2+]C1 ZINC000335026302 387119441 /nfs/dbraw/zinc/11/94/41/387119441.db2.gz YLYMZVKZAUEQOQ-HZMBPMFUSA-N 2 0 216.328 1.871 20 0 BDADRP Cc1cc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)n(C)n1 ZINC000335028363 387122055 /nfs/dbraw/zinc/12/20/55/387122055.db2.gz ISBIHUIKVDMNSW-GWCFXTLKSA-N 2 0 236.363 1.206 20 0 BDADRP C[N@H+](C[C@H]1CCCCO1)C[C@]1(C)CC[NH2+]C1 ZINC000250796854 387122751 /nfs/dbraw/zinc/12/27/51/387122751.db2.gz MFEHWYIUWSNTSR-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP Cc1ccccc1C[C@@H](C)[NH2+]CC1C[NH2+]C1 ZINC000423300391 387132229 /nfs/dbraw/zinc/13/22/29/387132229.db2.gz DOJXTLBVJMEOTO-GFCCVEGCSA-N 2 0 218.344 1.735 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000423298687 387129023 /nfs/dbraw/zinc/12/90/23/387129023.db2.gz ARJUZTLXVJRHEX-ZANVPECISA-N 2 0 237.322 1.856 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000423298696 387129426 /nfs/dbraw/zinc/12/94/26/387129426.db2.gz ASTXXURFQRTMJO-NEPJUHHUSA-N 2 0 235.375 1.998 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423299726 387129935 /nfs/dbraw/zinc/12/99/35/387129935.db2.gz QNUKOQQPPMUKEG-JHJVBQTASA-N 2 0 227.396 1.624 20 0 BDADRP C[C@@H](CCc1ccc(F)cc1)[NH2+]CC1C[NH2+]C1 ZINC000423299794 387130120 /nfs/dbraw/zinc/13/01/20/387130120.db2.gz CNWBORRCTFKIHR-NSHDSACASA-N 2 0 236.334 1.956 20 0 BDADRP Cc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)on1 ZINC000334980887 387067772 /nfs/dbraw/zinc/06/77/72/387067772.db2.gz QCLYUTPIYHIILU-CHWSQXEVSA-N 2 0 249.358 1.805 20 0 BDADRP c1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)on1 ZINC000334981615 387068623 /nfs/dbraw/zinc/06/86/23/387068623.db2.gz UQYYYRXMIHIXJH-NEPJUHHUSA-N 2 0 235.331 1.496 20 0 BDADRP CCC[NH2+]CC[NH2+][C@@H](C)CCCC[NH3+] ZINC000423310500 387145659 /nfs/dbraw/zinc/14/56/59/387145659.db2.gz NOGBHZZOLVSOIB-NSHDSACASA-N 2 0 201.358 1.093 20 0 BDADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCC1C[NH2+]C1 ZINC000423310340 387146764 /nfs/dbraw/zinc/14/67/64/387146764.db2.gz AAONRROOJSKBIU-AAEUAGOBSA-N 2 0 225.380 1.106 20 0 BDADRP CC[C@H]([NH2+]C[C@@H](C)C[NH3+])c1ccncc1 ZINC000423310223 387147202 /nfs/dbraw/zinc/14/72/02/387147202.db2.gz RKZSHTFNVQYBIM-JQWIXIFHSA-N 2 0 207.321 1.717 20 0 BDADRP COc1ccc([C@@H](C)[NH2+]CC2C[NH2+]C2)c(C)c1 ZINC000423313581 387150770 /nfs/dbraw/zinc/15/07/70/387150770.db2.gz FXLGWHXGJBTEMT-LLVKDONJSA-N 2 0 234.343 1.874 20 0 BDADRP c1cncc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000249910569 387152053 /nfs/dbraw/zinc/15/20/53/387152053.db2.gz NNGFNXBMGMWBOO-CABCVRRESA-N 2 0 245.370 1.841 20 0 BDADRP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CC1C[NH2+]C1 ZINC000423319589 387161034 /nfs/dbraw/zinc/16/10/34/387161034.db2.gz LSFSVAFZCKJXKH-SMDDNHRTSA-N 2 0 234.343 1.572 20 0 BDADRP [NH3+][C@@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)C1CC1 ZINC000423321199 387161286 /nfs/dbraw/zinc/16/12/86/387161286.db2.gz MZTXKRQNDJWUAF-YVECIDJPSA-N 2 0 236.359 1.271 20 0 BDADRP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CC1C[NH2+]C1 ZINC000423319578 387162779 /nfs/dbraw/zinc/16/27/79/387162779.db2.gz LSFSVAFZCKJXKH-BXUZGUMPSA-N 2 0 234.343 1.572 20 0 BDADRP Nc1ncc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)s1 ZINC000571762387 387162762 /nfs/dbraw/zinc/16/27/62/387162762.db2.gz IDKQNENHCZATLL-SECBINFHSA-N 2 0 240.376 1.116 20 0 BDADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[NH2+]C1 ZINC000423324331 387168766 /nfs/dbraw/zinc/16/87/66/387168766.db2.gz BBJDSJXFPFBRLE-AVGNSLFASA-N 2 0 226.364 1.391 20 0 BDADRP c1cncc([C@@H]2CCC[C@H]([NH2+]CC3C[NH2+]C3)C2)c1 ZINC000423329520 387173918 /nfs/dbraw/zinc/17/39/18/387173918.db2.gz SXHGYTQJYIAEID-HIFRSBDPSA-N 2 0 245.370 1.917 20 0 BDADRP C[C@H](NC[C@]1(C)CCC[NH2+]C1)[C@H]1CCCC[NH2+]1 ZINC000423337570 387185369 /nfs/dbraw/zinc/18/53/69/387185369.db2.gz KHVPWBOROJCQDE-BFHYXJOUSA-N 2 0 239.407 1.496 20 0 BDADRP [NH3+]CCCC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000423339130 387188267 /nfs/dbraw/zinc/18/82/67/387188267.db2.gz WNAQRSIAYFIDGZ-HZSPNIEDSA-N 2 0 240.391 1.910 20 0 BDADRP CO[C@@H](C)[C@H](C)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423340981 387190293 /nfs/dbraw/zinc/19/02/93/387190293.db2.gz WELWUZDOTPUPBJ-QWRGUYRKSA-N 2 0 214.353 1.389 20 0 BDADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC2C[NH2+]C2)cc1 ZINC000423302852 387135176 /nfs/dbraw/zinc/13/51/76/387135176.db2.gz KSVPUQPVRHJMTL-VXGBXAGGSA-N 2 0 248.370 1.996 20 0 BDADRP CCc1cccnc1[C@@H](C)[NH2+]C[C@@H](C)C[NH3+] ZINC000423301778 387135640 /nfs/dbraw/zinc/13/56/40/387135640.db2.gz GKKNGCFFXQFZJH-WDEREUQCSA-N 2 0 221.348 1.889 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000423305036 387137064 /nfs/dbraw/zinc/13/70/64/387137064.db2.gz JYUJLQLZYLVVOC-ZWNOBZJWSA-N 2 0 234.343 1.954 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000423304129 387137441 /nfs/dbraw/zinc/13/74/41/387137441.db2.gz JYUJLQLZYLVVOC-MFKMUULPSA-N 2 0 234.343 1.954 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]CC2C[NH2+]C2)C12CCC2 ZINC000423303619 387137851 /nfs/dbraw/zinc/13/78/51/387137851.db2.gz MCIIPDGOEIUZDO-VXGBXAGGSA-N 2 0 224.348 1.143 20 0 BDADRP C[C@@H](NC[C@@]1(C)CCC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423351568 387202790 /nfs/dbraw/zinc/20/27/90/387202790.db2.gz ZFHGPMUUJIKVSF-AGIUHOORSA-N 2 0 225.380 1.106 20 0 BDADRP C1CC1[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCC1 ZINC000423426330 387252524 /nfs/dbraw/zinc/25/25/24/387252524.db2.gz HTPASWOSGLQPML-QNWHQSFQSA-N 2 0 206.333 1.373 20 0 BDADRP COCC[C@H]1CCC[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423354740 387205962 /nfs/dbraw/zinc/20/59/62/387205962.db2.gz GQNKVJXUSIRYBK-MCIONIFRSA-N 2 0 240.391 1.923 20 0 BDADRP COCC[C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423354539 387206367 /nfs/dbraw/zinc/20/63/67/387206367.db2.gz GQNKVJXUSIRYBK-BFHYXJOUSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H]1C[C@H](NCC[C@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000423356709 387206958 /nfs/dbraw/zinc/20/69/58/387206958.db2.gz HFPOMIPCJQPLBP-YNEHKIRRSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)[C@@H]1CCCOC1 ZINC000423356846 387207336 /nfs/dbraw/zinc/20/73/36/387207336.db2.gz HHAHSCUENOMZDC-JHJVBQTASA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)[C@H]1CC1(C)C ZINC000423358375 387209386 /nfs/dbraw/zinc/20/93/86/387209386.db2.gz TZSHBBFZFBJYCA-CMPLNLGQSA-N 2 0 208.349 1.930 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423363318 387214904 /nfs/dbraw/zinc/21/49/04/387214904.db2.gz BUMXJIPAKBLGHC-FVCCEPFGSA-N 2 0 225.380 1.092 20 0 BDADRP C[C@@H]1C[C@@H](N[C@@H]2CC[NH2+][C@H](C)C2)C[N@@H+]1C1CC1 ZINC000423364138 387215800 /nfs/dbraw/zinc/21/58/00/387215800.db2.gz ATVSQSNRDRWKBH-FDYHWXHSSA-N 2 0 237.391 1.342 20 0 BDADRP CC[C@H](N[C@H]1CC[NH2+][C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000423367923 387221322 /nfs/dbraw/zinc/22/13/22/387221322.db2.gz AUUHNRNUWAALBW-CYDGBPFRSA-N 2 0 225.380 1.247 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+][C@H]1CCC[C@@H]1COCC ZINC000423367738 387222069 /nfs/dbraw/zinc/22/20/69/387222069.db2.gz ALXFQKJLEMABRS-UPJWGTAASA-N 2 0 228.380 1.779 20 0 BDADRP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCSCC1 ZINC000423428006 387253119 /nfs/dbraw/zinc/25/31/19/387253119.db2.gz IUSIMXOHTUFAJI-OHBODLIOSA-N 2 0 226.389 1.326 20 0 BDADRP CC(C)CC[C@H]1CCC[N@@H+]1CCOCC[NH3+] ZINC000572048678 387227190 /nfs/dbraw/zinc/22/71/90/387227190.db2.gz NIPFFLIKZHOCBT-CYBMUJFWSA-N 2 0 228.380 1.862 20 0 BDADRP C[C@H](C[NH2+][C@H]1CCO[C@H]1C)C[NH+]1CCCCC1 ZINC000120344086 387231099 /nfs/dbraw/zinc/23/10/99/387231099.db2.gz OHMKKILIKZWHLE-RDBSUJKOSA-N 2 0 240.391 1.875 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)CC(N)=O ZINC000120330121 387231300 /nfs/dbraw/zinc/23/13/00/387231300.db2.gz GTIYXGWQUUVPDP-NEPJUHHUSA-N 2 0 243.395 1.350 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1C[C@H](OC)C1(C)C ZINC000300632867 387232584 /nfs/dbraw/zinc/23/25/84/387232584.db2.gz KAIDZUQLSJPNNY-SRVKXCTJSA-N 2 0 244.379 1.143 20 0 BDADRP C[NH2+][C@H](C)C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423397613 387232703 /nfs/dbraw/zinc/23/27/03/387232703.db2.gz SRLZUOFRNJPFRM-FVCCEPFGSA-N 2 0 238.375 1.532 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cccc(CO)c1 ZINC000423400173 387234410 /nfs/dbraw/zinc/23/44/10/387234410.db2.gz WMNRMZIHKHOEQI-LALPHHSUSA-N 2 0 248.370 1.970 20 0 BDADRP CC[NH2+][C@H](C)CN[C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000423402559 387238506 /nfs/dbraw/zinc/23/85/06/387238506.db2.gz YJKLLHWQPWKXDF-UTUOFQBUSA-N 2 0 213.369 1.105 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccncc1F ZINC000643497344 387239438 /nfs/dbraw/zinc/23/94/38/387239438.db2.gz IMJHHUYBDXSPFJ-SNVBAGLBSA-N 2 0 237.322 1.871 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccncc1F ZINC000643497343 387239732 /nfs/dbraw/zinc/23/97/32/387239732.db2.gz IMJHHUYBDXSPFJ-JTQLQIEISA-N 2 0 237.322 1.871 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2CCC[NH2+][C@H]2C)C[N@@H+]1C1CC1 ZINC000423403616 387241809 /nfs/dbraw/zinc/24/18/09/387241809.db2.gz YQXCHVDGZGMPDU-UHXUPSOCSA-N 2 0 237.391 1.342 20 0 BDADRP COC[C@@]1(C[NH2+][C@@H]2CCC23CCC3)CCC[NH2+]1 ZINC000423408452 387243099 /nfs/dbraw/zinc/24/30/99/387243099.db2.gz AKJQXTXKVVIYQO-OCCSQVGLSA-N 2 0 238.375 1.677 20 0 BDADRP COC[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)C1CCCC1 ZINC000423407742 387243290 /nfs/dbraw/zinc/24/32/90/387243290.db2.gz WJAHQVSTQFCRJP-UBHSHLNASA-N 2 0 240.391 1.779 20 0 BDADRP CSCC[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000120414576 387244434 /nfs/dbraw/zinc/24/44/34/387244434.db2.gz WLLVJBUFSGRONN-NSHDSACASA-N 2 0 216.394 1.766 20 0 BDADRP COCC1CCC([NH2+][C@@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000423408588 387245169 /nfs/dbraw/zinc/24/51/69/387245169.db2.gz XRZDOISRDYAFDB-BLYZHGLHSA-N 2 0 240.391 1.779 20 0 BDADRP COC[C@]1(C[NH2+][C@@H](C)[C@@H]2CC2(C)C)CCC[NH2+]1 ZINC000423414002 387245612 /nfs/dbraw/zinc/24/56/12/387245612.db2.gz LVEKMQZXEPERPQ-SGMGOOAPSA-N 2 0 240.391 1.779 20 0 BDADRP COC[C@@H]([NH2+]CC1=CC[NH2+]CC1)C(C)C ZINC000423345134 387195509 /nfs/dbraw/zinc/19/55/09/387195509.db2.gz NQUYDDLVMLAWIQ-GFCCVEGCSA-N 2 0 212.337 1.167 20 0 BDADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)[C@@H]1CCCC[NH2+]1 ZINC000423344810 387196055 /nfs/dbraw/zinc/19/60/55/387196055.db2.gz YEXPDZUUJSNTHL-OLZOCXBDSA-N 3 0 239.407 1.496 20 0 BDADRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1cccc(CO)c1 ZINC000423347041 387197387 /nfs/dbraw/zinc/19/73/87/387197387.db2.gz PXMGAXIWAYQPFD-LBPRGKRZSA-N 2 0 246.354 1.749 20 0 BDADRP C[C@@H]([NH3+])CCC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000193324215 387200246 /nfs/dbraw/zinc/20/02/46/387200246.db2.gz FDESUJXIBGLUKC-GFCCVEGCSA-N 2 0 249.358 1.101 20 0 BDADRP CC[N@H+](C)CCNC(=O)[C@H](CC(C)(C)C)[NH2+]C ZINC000395701501 387310272 /nfs/dbraw/zinc/31/02/72/387310272.db2.gz BAWYCAPAKPEQEN-NSHDSACASA-N 2 0 243.395 1.079 20 0 BDADRP C[C@@H](C[NH3+])CNC(=O)c1ccccc1C[NH+](C)C ZINC000423461671 387310485 /nfs/dbraw/zinc/31/04/85/387310485.db2.gz SYNDONZPKUJVLY-NSHDSACASA-N 2 0 249.358 1.073 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423461835 387310517 /nfs/dbraw/zinc/31/05/17/387310517.db2.gz TWTHMFNFURVEFS-LERXQTSPSA-N 3 0 233.359 1.848 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@H]1C[C@@H](OC)C1(CC)CC ZINC000423464607 387313253 /nfs/dbraw/zinc/31/32/53/387313253.db2.gz MGLSPPFRYBHZIF-SDDRHHMPSA-N 2 0 228.380 1.907 20 0 BDADRP COCCC[C@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000423429317 387254444 /nfs/dbraw/zinc/25/44/44/387254444.db2.gz KEMVOYYBBHFKPI-NEPJUHHUSA-N 2 0 216.369 1.909 20 0 BDADRP C1CC2(CCCC2)[C@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423428980 387254625 /nfs/dbraw/zinc/25/46/25/387254625.db2.gz JTDRCRZYRJQKPP-WHOHXGKFSA-N 2 0 206.333 1.517 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C12CCC2 ZINC000423379484 387263275 /nfs/dbraw/zinc/26/32/75/387263275.db2.gz XSXGOUCRDMBCGN-ZDEQEGDKSA-N 2 0 238.375 1.804 20 0 BDADRP CC[NH2+][C@H](C)CN[C@H](C)c1c[nH+]ccc1N ZINC000423379689 387263433 /nfs/dbraw/zinc/26/34/33/387263433.db2.gz GRMBHTPWMRNIOI-NXEZZACHSA-N 2 0 222.336 1.143 20 0 BDADRP COCC1CCC([NH2+][C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000423382190 387264979 /nfs/dbraw/zinc/26/49/79/387264979.db2.gz OCLWRKZSQTVNCN-BLYZHGLHSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423387360 387270853 /nfs/dbraw/zinc/27/08/53/387270853.db2.gz MNIHUEUEAMQNMX-GFCCVEGCSA-N 3 0 247.386 1.897 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1NCCCC1(C)C ZINC000423391411 387276695 /nfs/dbraw/zinc/27/66/95/387276695.db2.gz PKAKSMGPHJUNMP-CHWSQXEVSA-N 2 0 241.423 1.872 20 0 BDADRP C[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423430339 387281860 /nfs/dbraw/zinc/28/18/60/387281860.db2.gz UDNJFZQVDDNGEV-AAVRWANBSA-N 2 0 240.391 1.766 20 0 BDADRP CC[C@H](N[C@H]1CC[NH2+]C[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423394650 387281874 /nfs/dbraw/zinc/28/18/74/387281874.db2.gz MVXCRJPCTDMTPG-CYDGBPFRSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H](Cc1ccoc1)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423432487 387283053 /nfs/dbraw/zinc/28/30/53/387283053.db2.gz OMPUGVVODUMSNN-OHBODLIOSA-N 2 0 206.289 1.018 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000423431994 387284777 /nfs/dbraw/zinc/28/47/77/387284777.db2.gz MECGEOXRCYJBGP-JHJVBQTASA-N 3 0 227.396 1.754 20 0 BDADRP C[C@H]([NH3+])[C@H](C)N[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000423440142 387289618 /nfs/dbraw/zinc/28/96/18/387289618.db2.gz APKHPHNLOPUKDY-JZRPKSSGSA-N 2 0 225.380 1.185 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000423443323 387293352 /nfs/dbraw/zinc/29/33/52/387293352.db2.gz WYNSXBLWKGHEFA-KFWWJZLASA-N 2 0 245.370 1.343 20 0 BDADRP C1C[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H]([C@H]2CCCC[NH2+]2)C1 ZINC000423446786 387295666 /nfs/dbraw/zinc/29/56/66/387295666.db2.gz CUSWBSBOJLUUNM-KYFQHEKYSA-N 2 0 249.402 1.105 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H](CCO)c2ccccc2)C1 ZINC000514799063 387295773 /nfs/dbraw/zinc/29/57/73/387295773.db2.gz SQWYXVUCEQXAFL-RBSFLKMASA-N 2 0 248.370 1.970 20 0 BDADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000423449810 387300257 /nfs/dbraw/zinc/30/02/57/387300257.db2.gz SEKJDAHDRBSGCU-HGCLJGPKSA-N 2 0 226.364 1.515 20 0 BDADRP CCN1C[C@H]([NH2+][C@@H](C)CCC[NH3+])[C@@H](C)C1 ZINC000423455314 387303492 /nfs/dbraw/zinc/30/34/92/387303492.db2.gz MKBBUQPEKIEXMO-SRVKXCTJSA-N 2 0 213.369 1.044 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccs2)C1 ZINC000160571647 387303501 /nfs/dbraw/zinc/30/35/01/387303501.db2.gz UIPRNJNAECUJFO-VHSXEESVSA-N 2 0 210.346 1.917 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000423460256 387309272 /nfs/dbraw/zinc/30/92/72/387309272.db2.gz RUKHCVDFEUYHLI-FVCCEPFGSA-N 2 0 238.375 1.661 20 0 BDADRP C[C@@H](NC[C@@H]1CCCC[NH2+]1)[C@H]1CCCC[NH2+]1 ZINC000643502219 387362748 /nfs/dbraw/zinc/36/27/48/387362748.db2.gz ADMBMBLVUIMNFJ-FRRDWIJNSA-N 2 0 225.380 1.249 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000423481544 387364054 /nfs/dbraw/zinc/36/40/54/387364054.db2.gz WVPXGTNHHCKIJT-IRCOFANPSA-N 2 0 226.364 1.517 20 0 BDADRP C[C@H](NC[C@H]1CCCC[NH2+]1)[C@@H]1CCCC[NH2+]1 ZINC000643502223 387364107 /nfs/dbraw/zinc/36/41/07/387364107.db2.gz ADMBMBLVUIMNFJ-XQQFMLRXSA-N 2 0 225.380 1.249 20 0 BDADRP Cc1cc(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)ccn1 ZINC000336540255 387364275 /nfs/dbraw/zinc/36/42/75/387364275.db2.gz LZDIMDGZUSOXEE-RYUDHWBXSA-N 2 0 247.342 1.623 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H](CC)C1(C(=O)OC)CCC1 ZINC000423481622 387364647 /nfs/dbraw/zinc/36/46/47/387364647.db2.gz XAHKGKWOSZCDIH-QWRGUYRKSA-N 2 0 242.363 1.435 20 0 BDADRP C[C@@H](Cc1ccoc1)[NH2+]CCC[NH2+]C1CC1 ZINC000423542040 387365446 /nfs/dbraw/zinc/36/54/46/387365446.db2.gz ANMCHJASFURGRE-NSHDSACASA-N 2 0 222.332 1.942 20 0 BDADRP CC[C@H]([NH2+]CCC1=CC[NH2+]CC1)[C@@H]1CCOC1 ZINC000423542826 387368026 /nfs/dbraw/zinc/36/80/26/387368026.db2.gz UIPIBBWHCYAMNE-KGLIPLIRSA-N 2 0 238.375 1.701 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423551014 387372263 /nfs/dbraw/zinc/37/22/63/387372263.db2.gz JDAHFUIBMBTYSY-MJBXVCDLSA-N 2 0 240.391 1.923 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423551012 387373304 /nfs/dbraw/zinc/37/33/04/387373304.db2.gz JDAHFUIBMBTYSY-IHRRRGAJSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423551086 387373327 /nfs/dbraw/zinc/37/33/27/387373327.db2.gz OLXCRVSIISWPMR-ZOBORPQBSA-N 3 0 239.407 1.482 20 0 BDADRP CC[C@H](COC)[NH2+]C[C@H](C)Cn1ccnc1C ZINC000121516488 387374736 /nfs/dbraw/zinc/37/47/36/387374736.db2.gz MWCRWBASGYBQEY-WCQYABFASA-N 2 0 239.363 1.842 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423568585 387377090 /nfs/dbraw/zinc/37/70/90/387377090.db2.gz VPTRFWIYWYLVLH-UTUOFQBUSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423568584 387378310 /nfs/dbraw/zinc/37/83/10/387378310.db2.gz VPTRFWIYWYLVLH-IJLUTSLNSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423475528 387322218 /nfs/dbraw/zinc/32/22/18/387322218.db2.gz PVKZQZXLUABWRT-LPWJVIDDSA-N 2 0 225.380 1.044 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000423475181 387322679 /nfs/dbraw/zinc/32/26/79/387322679.db2.gz RSMAMGGZIVFPCY-RVMXOQNASA-N 2 0 238.375 1.661 20 0 BDADRP CC[C@H]([NH3+])CN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423477365 387325419 /nfs/dbraw/zinc/32/54/19/387325419.db2.gz TVZWZLYEXWWADL-XBFCOCLRSA-N 2 0 235.375 1.272 20 0 BDADRP Cc1cc(N)cc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000423483114 387329540 /nfs/dbraw/zinc/32/95/40/387329540.db2.gz RZZHDQOXVCYQRT-TZMCWYRMSA-N 2 0 233.359 1.794 20 0 BDADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC2CC2)C1 ZINC000354088219 387329616 /nfs/dbraw/zinc/32/96/16/387329616.db2.gz MMDZGDXMMYMUMQ-AWEZNQCLSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000423487930 387333211 /nfs/dbraw/zinc/33/32/11/387333211.db2.gz UVVBHIVKOAHVTH-AVGNSLFASA-N 3 0 225.380 1.249 20 0 BDADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)[C@H]1CCC[NH2+]1 ZINC000423487936 387333894 /nfs/dbraw/zinc/33/38/94/387333894.db2.gz UVVBHIVKOAHVTH-YNEHKIRRSA-N 3 0 225.380 1.249 20 0 BDADRP CC(C)[C@](C)(C[NH3+])[NH2+]CCOCC(F)(F)F ZINC000303392460 387349231 /nfs/dbraw/zinc/34/92/31/387349231.db2.gz ZWOHNBUTJMQEFT-VIFPVBQESA-N 2 0 242.285 1.528 20 0 BDADRP CC[C@H]([NH2+][C@H](C)CC[NH+](C)C)[C@@H]1CCOC1 ZINC000303393177 387349284 /nfs/dbraw/zinc/34/92/84/387349284.db2.gz KDKBTLPHCJBNRJ-UPJWGTAASA-N 2 0 228.380 1.731 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)[C@H](C)O1 ZINC000423515636 387350271 /nfs/dbraw/zinc/35/02/71/387350271.db2.gz SRLMULUHGCCMFQ-ROHXPCBUSA-N 2 0 212.337 1.269 20 0 BDADRP C[C@H](N[C@@H](C[NH3+])C1CCCC1)[C@H]1CCC[NH2+]1 ZINC000423517410 387351142 /nfs/dbraw/zinc/35/11/42/387351142.db2.gz YQFVVHOYYZGFHA-UHTWSYAYSA-N 2 0 225.380 1.234 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCC[NH2+]C1CC1 ZINC000423520107 387353540 /nfs/dbraw/zinc/35/35/40/387353540.db2.gz DQCTZCJCGXSENO-MBNYWOFBSA-N 2 0 239.407 1.447 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000643469330 387427153 /nfs/dbraw/zinc/42/71/53/387427153.db2.gz LNAFLAYTVYOBNS-QWHCGFSZSA-N 2 0 243.314 1.559 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000643469331 387427698 /nfs/dbraw/zinc/42/76/98/387427698.db2.gz LNAFLAYTVYOBNS-STQMWFEESA-N 2 0 243.314 1.559 20 0 BDADRP C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000306572188 387428613 /nfs/dbraw/zinc/42/86/13/387428613.db2.gz HOKXRASAFOIQSB-ZNSHCXBVSA-N 2 0 214.378 1.597 20 0 BDADRP CC[NH+](CC)CCC[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000352669230 387429863 /nfs/dbraw/zinc/42/98/63/387429863.db2.gz YEHNXNXRTDEZRY-CHWSQXEVSA-N 2 0 228.380 1.564 20 0 BDADRP COC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000515864476 387430162 /nfs/dbraw/zinc/43/01/62/387430162.db2.gz DSIVPFYAHXVCQS-GRYCIOLGSA-N 2 0 212.337 1.190 20 0 BDADRP c1csc(C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000160659103 387448426 /nfs/dbraw/zinc/44/84/26/387448426.db2.gz WGGQDCRDILLHFK-JTQLQIEISA-N 2 0 210.346 1.980 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC1(CO)CCCCC1 ZINC000643466262 387387579 /nfs/dbraw/zinc/38/75/79/387387579.db2.gz NNSJSLLVFCYVKY-VXGBXAGGSA-N 2 0 226.364 1.399 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@H]1COC(C)(C)C1 ZINC000396832456 387497597 /nfs/dbraw/zinc/49/75/97/387497597.db2.gz STNWONNKVDEGMJ-LLVKDONJSA-N 2 0 214.353 1.485 20 0 BDADRP CCN1CCC[C@@H]1C[NH2+][C@@H]1COC(C)(C)C1 ZINC000396851059 387503920 /nfs/dbraw/zinc/50/39/20/387503920.db2.gz LJLOXGCFZNYJPR-NWDGAFQWSA-N 2 0 226.364 1.628 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000643470991 387478127 /nfs/dbraw/zinc/47/81/27/387478127.db2.gz FNGYGIOXNILQJO-IGQOVBAYSA-N 2 0 240.391 1.515 20 0 BDADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCCF)C1 ZINC000361517994 387480014 /nfs/dbraw/zinc/48/00/14/387480014.db2.gz GWHFQFGNSLFGQN-ZDUSSCGKSA-N 2 0 246.370 1.779 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C1CCC(CO)CC1 ZINC000643471223 387480116 /nfs/dbraw/zinc/48/01/16/387480116.db2.gz FNGYGIOXNILQJO-GFJIZPEISA-N 2 0 240.391 1.515 20 0 BDADRP C[N@@H+]1CC[C@H](NCC[NH2+]C2CC2)[C@H]2CCC[C@H]21 ZINC000643507929 387482165 /nfs/dbraw/zinc/48/21/65/387482165.db2.gz WMGWQIIVMFTSTH-HZSPNIEDSA-N 2 0 237.391 1.201 20 0 BDADRP C[C@](O)(C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])C1CC1 ZINC000643473017 387484306 /nfs/dbraw/zinc/48/43/06/387484306.db2.gz KJQHTQPWJPIGFR-XQQFMLRXSA-N 2 0 226.364 1.397 20 0 BDADRP Cc1ccc(CCC[N@H+]2C[C@H](C)[C@H](CO)C2)cn1 ZINC000355147705 387486621 /nfs/dbraw/zinc/48/66/21/387486621.db2.gz DHBMRVQPHSMWJI-WFASDCNBSA-N 2 0 248.370 1.883 20 0 BDADRP COC[C@H](C)[NH2+]CCC1CC[NH+](C)CC1 ZINC000122143352 387487137 /nfs/dbraw/zinc/48/71/37/387487137.db2.gz PWMUHCSWUSAPFC-NSHDSACASA-N 2 0 214.353 1.343 20 0 BDADRP Cc1ccc(CCC[N@H+]2C[C@H](C)[C@@H](CO)C2)cn1 ZINC000355147704 387487494 /nfs/dbraw/zinc/48/74/94/387487494.db2.gz DHBMRVQPHSMWJI-SWLSCSKDSA-N 2 0 248.370 1.883 20 0 BDADRP CC(C)[NH2+]CCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000643508340 387487741 /nfs/dbraw/zinc/48/77/41/387487741.db2.gz PDMRCIIKTVYGID-KBPBESRZSA-N 3 0 239.407 1.591 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000352791402 387488190 /nfs/dbraw/zinc/48/81/90/387488190.db2.gz ZODOIPRMUCZGNW-YRGRVCCFSA-N 2 0 240.391 1.610 20 0 BDADRP Cc1n[nH]cc1[C@@H](C)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000643510610 387582634 /nfs/dbraw/zinc/58/26/34/387582634.db2.gz WUTSQBKFBZKDKN-ZYHUDNBSSA-N 2 0 236.363 1.758 20 0 BDADRP C[NH+](C)CCCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000375851005 387587316 /nfs/dbraw/zinc/58/73/16/387587316.db2.gz KJUVZUYVYPQCMD-MJBXVCDLSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000528757999 387588721 /nfs/dbraw/zinc/58/87/21/387588721.db2.gz DNAZBQWXDKXHNG-XVIXHAIJSA-N 2 0 240.391 1.872 20 0 BDADRP CC(C)C[C@H](CN)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000643511200 387591467 /nfs/dbraw/zinc/59/14/67/387591467.db2.gz OYLYEDZOWGQICJ-TZMCWYRMSA-N 2 0 241.423 1.680 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H](N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000527532197 387599101 /nfs/dbraw/zinc/59/91/01/387599101.db2.gz JXHJIHMCTAKEMS-UTUOFQBUSA-N 2 0 223.364 1.131 20 0 BDADRP C1CC2(C1)[NH2+]CC[C@@H]2N[C@H]1CCC[NH2+]CC1 ZINC000527532172 387599131 /nfs/dbraw/zinc/59/91/31/387599131.db2.gz JVHYRTHLPROKNF-RYUDHWBXSA-N 2 0 223.364 1.003 20 0 BDADRP CC[C@H](NCC[N@H+](C)CC)[C@H]1CCCC[NH2+]1 ZINC000422717006 387629097 /nfs/dbraw/zinc/62/90/97/387629097.db2.gz NXEXZOUMPJPEIV-QWHCGFSZSA-N 2 0 227.396 1.448 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](Cc2ccnc(N)c2)C[C@@H]1C[NH3+] ZINC000422638212 387610829 /nfs/dbraw/zinc/61/08/29/387610829.db2.gz PZEBGEXGKCIOKF-MDZLAQPJSA-N 2 0 248.374 1.299 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCc1c(F)cccc1F ZINC000422698039 387612520 /nfs/dbraw/zinc/61/25/20/387612520.db2.gz XIBMJZSUPXERST-CHWSQXEVSA-N 2 0 240.297 1.977 20 0 BDADRP CC[N@@H+]1CC[C@@H](CN[C@@H](C)c2c[nH+]ccc2N)C1 ZINC000422689968 387613048 /nfs/dbraw/zinc/61/30/48/387613048.db2.gz FXYAAHOYWNKHGE-RYUDHWBXSA-N 2 0 248.374 1.487 20 0 BDADRP CC[N@@H+]1CC[C@H](CN[C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000422698414 387615908 /nfs/dbraw/zinc/61/59/08/387615908.db2.gz ZESBWWUCXIWOBL-RDBSUJKOSA-N 2 0 239.407 1.578 20 0 BDADRP CC[C@H](C)[C@@H](O)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422715982 387629514 /nfs/dbraw/zinc/62/95/14/387629514.db2.gz TYAYRZQVLYRDRS-WTIISPKJSA-N 2 0 228.380 1.501 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NCC[N@H+](C)C1CCCCC1 ZINC000422702323 387617994 /nfs/dbraw/zinc/61/79/94/387617994.db2.gz KKSWEHPGISGPOT-STQMWFEESA-N 2 0 241.423 1.966 20 0 BDADRP CCCC[N@H+](C)CCN[C@H]1CCCC[C@H]1C[NH3+] ZINC000422707907 387620453 /nfs/dbraw/zinc/62/04/53/387620453.db2.gz IKFQGLSGKGAHLA-KBPBESRZSA-N 2 0 241.423 1.825 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000422705409 387620879 /nfs/dbraw/zinc/62/08/79/387620879.db2.gz BTYYQISQONXUKD-WHOHXGKFSA-N 2 0 214.353 1.110 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCCCNc1ccccn1 ZINC000422704245 387621578 /nfs/dbraw/zinc/62/15/78/387621578.db2.gz OZZPOEJSKHEGES-CHWSQXEVSA-N 2 0 248.374 1.743 20 0 BDADRP Cn1cc(CC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cn1 ZINC000422708688 387623171 /nfs/dbraw/zinc/62/31/71/387623171.db2.gz CFWFEBROOFPOKK-QWHCGFSZSA-N 2 0 236.363 1.212 20 0 BDADRP CCCC[N@H+](C)CCN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422708811 387623794 /nfs/dbraw/zinc/62/37/94/387623794.db2.gz JKDJKQCIRVZOOD-UONOGXRCSA-N 2 0 241.423 1.839 20 0 BDADRP CCCC[N@H+](C)CCN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000422708927 387624214 /nfs/dbraw/zinc/62/42/14/387624214.db2.gz JVXFOPUSMXIDOH-CHWSQXEVSA-N 2 0 227.396 1.435 20 0 BDADRP CCCC[N@H+](C)CCN[C@H](C)C[C@@H](C)[NH3+] ZINC000422712486 387625586 /nfs/dbraw/zinc/62/55/86/387625586.db2.gz OHIRKFQXEDKTNB-VXGBXAGGSA-N 2 0 215.385 1.434 20 0 BDADRP COC[C@H](C)C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000527249194 387550531 /nfs/dbraw/zinc/55/05/31/387550531.db2.gz DCITVJZJOAGTDO-IYXRBSQSSA-N 2 0 240.391 1.875 20 0 BDADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)[C@H](C)OC ZINC000361924932 387551988 /nfs/dbraw/zinc/55/19/88/387551988.db2.gz NQFCBJPZSRAYHZ-RWMBFGLXSA-N 2 0 246.395 1.356 20 0 BDADRP C[NH+](C)CCCNCc1cnn(C(C)(C)C)c1 ZINC000037213741 387560192 /nfs/dbraw/zinc/56/01/92/387560192.db2.gz XSWBVCRRGJEMNY-UHFFFAOYSA-N 2 0 238.379 1.679 20 0 BDADRP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)nc1 ZINC000399680617 387565886 /nfs/dbraw/zinc/56/58/86/387565886.db2.gz QJIPFAUCDBQOJT-DZGCQCFKSA-N 2 0 247.386 1.862 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422718878 387630824 /nfs/dbraw/zinc/63/08/24/387630824.db2.gz XXYKPVOMYWLDFR-SDDRHHMPSA-N 2 0 214.353 1.253 20 0 BDADRP [NH3+][C@H](CN[C@H]1CCCc2cccnc21)C1CC1 ZINC000643516799 387631573 /nfs/dbraw/zinc/63/15/73/387631573.db2.gz WMOHXXMXLOSBTI-OLZOCXBDSA-N 2 0 231.343 1.786 20 0 BDADRP CC[NH+](CC)CCCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422725057 387636078 /nfs/dbraw/zinc/63/60/78/387636078.db2.gz AGTZEDRQRGKTFK-ZIAGYGMSSA-N 2 0 241.423 1.696 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](CCCOC(C)C)C1 ZINC000430625499 387636318 /nfs/dbraw/zinc/63/63/18/387636318.db2.gz JNKZWXJENRNNJJ-ZDUSSCGKSA-N 2 0 228.380 1.733 20 0 BDADRP CC[C@@H]1CCCC[N@@H+]1CCN[C@@H]1CCC[C@@H]1[NH3+] ZINC000422725472 387636949 /nfs/dbraw/zinc/63/69/49/387636949.db2.gz BMGOUNKUYOTKHU-HZSPNIEDSA-N 2 0 239.407 1.720 20 0 BDADRP CC[C@@H]([NH2+]CCCOC)[C@@H]1CCC[NH2+]1 ZINC000422729390 387637393 /nfs/dbraw/zinc/63/73/93/387637393.db2.gz HWUWQHDHSRYSFN-MNOVXSKESA-N 2 0 200.326 1.143 20 0 BDADRP CC(C)CC[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000422728414 387638737 /nfs/dbraw/zinc/63/87/37/387638737.db2.gz GHLOEUQKDSDJNK-GRYCIOLGSA-N 2 0 214.353 1.374 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422736088 387642532 /nfs/dbraw/zinc/64/25/32/387642532.db2.gz VTRBJTFETUQOPY-CHWSQXEVSA-N 3 0 241.423 1.694 20 0 BDADRP CCOCCC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422734693 387642668 /nfs/dbraw/zinc/64/26/68/387642668.db2.gz SUNDHNIFYDDMIO-VXGBXAGGSA-N 2 0 214.353 1.391 20 0 BDADRP CC[NH+](CC)CCCN[C@H]1C[NH2+]CC[C@@H]1C ZINC000422736336 387643478 /nfs/dbraw/zinc/64/34/78/387643478.db2.gz VYKHDIKOKYYXFJ-STQMWFEESA-N 2 0 227.396 1.306 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422736092 387643704 /nfs/dbraw/zinc/64/37/04/387643704.db2.gz VTRBJTFETUQOPY-STQMWFEESA-N 3 0 241.423 1.694 20 0 BDADRP CCOCCC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422734690 387644049 /nfs/dbraw/zinc/64/40/49/387644049.db2.gz SUNDHNIFYDDMIO-NEPJUHHUSA-N 2 0 214.353 1.391 20 0 BDADRP COCCC[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422734673 387644178 /nfs/dbraw/zinc/64/41/78/387644178.db2.gz UQAIJBDBHYLJTK-TZMCWYRMSA-N 2 0 236.359 1.571 20 0 BDADRP CCCCOCCC[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422738631 387646019 /nfs/dbraw/zinc/64/60/19/387646019.db2.gz ZBEDJRZWKVIYFX-NWDGAFQWSA-N 2 0 214.353 1.663 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000422747456 387651038 /nfs/dbraw/zinc/65/10/38/387651038.db2.gz YSMISYMCUHVGNP-BNOWGMLFSA-N 2 0 237.391 1.473 20 0 BDADRP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000422748111 387652584 /nfs/dbraw/zinc/65/25/84/387652584.db2.gz RZKZOTSBLCULSD-QWRGUYRKSA-N 2 0 204.317 1.945 20 0 BDADRP CC[NH+](CC)CCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422749165 387652920 /nfs/dbraw/zinc/65/29/20/387652920.db2.gz XVQLAJUOQMCNEJ-OLZOCXBDSA-N 2 0 227.396 1.306 20 0 BDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H](C)[NH3+])C[C@@H]1C ZINC000430803185 387654750 /nfs/dbraw/zinc/65/47/50/387654750.db2.gz RAKLQKVZCPBHIB-SRVKXCTJSA-N 2 0 241.379 1.055 20 0 BDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H](C)[NH3+])C[C@H]1C ZINC000430803186 387654844 /nfs/dbraw/zinc/65/48/44/387654844.db2.gz RAKLQKVZCPBHIB-TUAOUCFPSA-N 2 0 241.379 1.055 20 0 BDADRP C[C@@H]([NH2+]CCn1cnc2ccccc21)C1C[NH2+]C1 ZINC000422755296 387657462 /nfs/dbraw/zinc/65/74/62/387657462.db2.gz GPRIVZLHXUUYLV-LLVKDONJSA-N 2 0 244.342 1.234 20 0 BDADRP CC[C@@H](NC[C@H]1CCC[N@@H+]1CC)[C@@H]1CCC[NH2+]1 ZINC000422755599 387658948 /nfs/dbraw/zinc/65/89/48/387658948.db2.gz KRGHPSQDGCUDHO-MCIONIFRSA-N 2 0 239.407 1.591 20 0 BDADRP C[NH+](C)Cc1cccc(NC(=O)[C@@H]2C[C@@H]2[NH3+])c1 ZINC000424136235 387660229 /nfs/dbraw/zinc/66/02/29/387660229.db2.gz QOPZZOPUXKVDHN-NEPJUHHUSA-N 2 0 233.315 1.034 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCn1ccnc1 ZINC000422757800 387660575 /nfs/dbraw/zinc/66/05/75/387660575.db2.gz MYPRTUPMORXVRX-VXGBXAGGSA-N 2 0 222.336 1.133 20 0 BDADRP CCCC[C@H](COC)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422761653 387662370 /nfs/dbraw/zinc/66/23/70/387662370.db2.gz RJVSAJFCVLFXOM-SDDRHHMPSA-N 2 0 216.369 1.907 20 0 BDADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)N[C@@H](C)C[C@H](C)[NH3+] ZINC000422761488 387662923 /nfs/dbraw/zinc/66/29/23/387662923.db2.gz MQLWNXGQMYPSBI-XDQVBPFNSA-N 2 0 241.423 1.822 20 0 BDADRP CC(C)OCCC[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422762445 387663075 /nfs/dbraw/zinc/66/30/75/387663075.db2.gz NQMUMZUNQIOCHG-QWRGUYRKSA-N 2 0 202.342 1.517 20 0 BDADRP C[C@H]([NH2+]CCCNc1ccccc1)C1C[NH2+]C1 ZINC000422763676 387665593 /nfs/dbraw/zinc/66/55/93/387665593.db2.gz UITWXELRXPFETL-LBPRGKRZSA-N 2 0 233.359 1.686 20 0 BDADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1cn[nH]c1 ZINC000305952323 387669067 /nfs/dbraw/zinc/66/90/67/387669067.db2.gz NFKXYUFEGZVZPR-NSHDSACASA-N 2 0 236.363 1.792 20 0 BDADRP OC[C@@H](C[NH2+]C1CC[NH2+]CC1)Cc1ccccc1 ZINC000422772915 387669442 /nfs/dbraw/zinc/66/94/42/387669442.db2.gz ZHEDSLCHOOGSFL-CQSZACIVSA-N 2 0 248.370 1.179 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1NCC[NH+]1CCCC1 ZINC000422770153 387670351 /nfs/dbraw/zinc/67/03/51/387670351.db2.gz UKRATVYCCOXEHR-CHWSQXEVSA-N 2 0 225.380 1.332 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NCCC[NH+]1CCC(C)CC1 ZINC000422775386 387671609 /nfs/dbraw/zinc/67/16/09/387671609.db2.gz BLOWNJDNNYYJGL-KBPBESRZSA-N 2 0 241.423 1.824 20 0 BDADRP [NH3+]CC1CCC([NH2+]C[C@H]2CCCC[C@@H]2O)CC1 ZINC000422775332 387672093 /nfs/dbraw/zinc/67/20/93/387672093.db2.gz BCXOMNAMLRLOBL-HHTDUIENSA-N 2 0 240.391 1.645 20 0 BDADRP C[NH+](C)CC1CC[NH+](C[C@@H](O)C(C)(C)C)CC1 ZINC000044169710 387673029 /nfs/dbraw/zinc/67/30/29/387673029.db2.gz YGCLEPDVIKZESW-CYBMUJFWSA-N 2 0 242.407 1.667 20 0 BDADRP Cc1ccc(O[C@H](C)C[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000422779591 387678549 /nfs/dbraw/zinc/67/85/49/387678549.db2.gz CEBXQNQLSANPSJ-CHWSQXEVSA-N 2 0 248.370 1.960 20 0 BDADRP C[C@H]1C[C@H](N[C@H]2CC[NH2+]CC[C@H]2C)CC[N@@H+]1C ZINC000422778627 387678959 /nfs/dbraw/zinc/67/89/59/387678959.db2.gz HMDNJIJWQIBBRE-RQJABVFESA-N 2 0 239.407 1.447 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000422783523 387682683 /nfs/dbraw/zinc/68/26/83/387682683.db2.gz OFQAFGBGCOVDOF-NDBYEHHHSA-N 2 0 225.380 1.057 20 0 BDADRP C[C@@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)C[C@H](C)O ZINC000422783811 387682809 /nfs/dbraw/zinc/68/28/09/387682809.db2.gz NGNURYYVFSOICH-YVECIDJPSA-N 2 0 228.380 1.514 20 0 BDADRP CCC[NH+]1CCC(N[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000422786341 387685487 /nfs/dbraw/zinc/68/54/87/387685487.db2.gz QFFJGPCXXXMPTR-CHWSQXEVSA-N 2 0 225.380 1.330 20 0 BDADRP C[C@H]1CC[NH2+]C[C@@H]1NCCC[NH+]1CCCCC1 ZINC000422786939 387685744 /nfs/dbraw/zinc/68/57/44/387685744.db2.gz PINBBTQDRNTASE-KBPBESRZSA-N 2 0 239.407 1.450 20 0 BDADRP CC[NH+]1CCC(CC[NH2+][C@H](C)CCC[NH3+])CC1 ZINC000422787759 387687673 /nfs/dbraw/zinc/68/76/73/387687673.db2.gz QIOSTOLVTTTXHX-CYBMUJFWSA-N 3 0 241.423 1.825 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCCOCC1CC1 ZINC000422786062 387687780 /nfs/dbraw/zinc/68/77/80/387687780.db2.gz ODMMAQNLAHEPDA-RYUDHWBXSA-N 2 0 212.337 1.273 20 0 BDADRP CC(C)[C@H](O)CC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422791547 387692021 /nfs/dbraw/zinc/69/20/21/387692021.db2.gz YQLUZCCCNJWEJZ-FRRDWIJNSA-N 2 0 228.380 1.643 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])[C@H]1CCOC1 ZINC000422791496 387692736 /nfs/dbraw/zinc/69/27/36/387692736.db2.gz QGHHSMUVIJPSAD-AVGNSLFASA-N 2 0 228.380 1.909 20 0 BDADRP CO[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)CCC[NH3+] ZINC000422791522 387693063 /nfs/dbraw/zinc/69/30/63/387693063.db2.gz QGNYSOWXJJRWIA-GRYCIOLGSA-N 2 0 214.353 1.661 20 0 BDADRP CCN(CC[NH2+]C1CCC(C[NH3+])CC1)C1CC1 ZINC000422876477 387756163 /nfs/dbraw/zinc/75/61/63/387756163.db2.gz GBVDRYJZKKTVOA-UHFFFAOYSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@H](N[C@H]1CC[N@@H+](C2CCCC2)C1)C1C[NH2+]C1 ZINC000422863817 387746018 /nfs/dbraw/zinc/74/60/18/387746018.db2.gz SHGDIHGEVJPELS-AAEUAGOBSA-N 2 0 237.391 1.201 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CCN1CCC[C@H](C)C1 ZINC000422867223 387747367 /nfs/dbraw/zinc/74/73/67/387747367.db2.gz RWMPZQBELKOWQO-QWHCGFSZSA-N 2 0 227.396 1.435 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000422869936 387749344 /nfs/dbraw/zinc/74/93/44/387749344.db2.gz WVRNIXHOPXEWLO-IJLUTSLNSA-N 3 0 225.380 1.329 20 0 BDADRP C[C@H]([NH2+]CCc1ccsc1)C1C[NH2+]C1 ZINC000422801346 387701990 /nfs/dbraw/zinc/70/19/90/387701990.db2.gz BTJXMIPDAAEDGL-VIFPVBQESA-N 2 0 210.346 1.488 20 0 BDADRP CC(C)C[C@H](CCO)C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422801272 387703118 /nfs/dbraw/zinc/70/31/18/387703118.db2.gz BQXGENIKQNMMDL-AVGNSLFASA-N 2 0 228.380 1.501 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000422802260 387703408 /nfs/dbraw/zinc/70/34/08/387703408.db2.gz DEUNDYWIRVOVBS-YNEHKIRRSA-N 2 0 232.327 1.460 20 0 BDADRP CC(C)C[C@H](CCO)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422805516 387705892 /nfs/dbraw/zinc/70/58/92/387705892.db2.gz JGVRGZYESFFZFT-HZSPNIEDSA-N 2 0 242.407 1.761 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NCC[NH+]1CCCCC1 ZINC000422807943 387705989 /nfs/dbraw/zinc/70/59/89/387705989.db2.gz KMVOJYZAPRRCEE-NWDGAFQWSA-N 2 0 213.369 1.188 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCc1ccsc1 ZINC000422810413 387706938 /nfs/dbraw/zinc/70/69/38/387706938.db2.gz RUELZJNXRJWXNG-WDEREUQCSA-N 2 0 210.346 1.760 20 0 BDADRP CSCC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000377262466 387708486 /nfs/dbraw/zinc/70/84/86/387708486.db2.gz PGXDHQQZFPTALP-NSHDSACASA-N 2 0 216.394 1.766 20 0 BDADRP CCO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000527782542 387709136 /nfs/dbraw/zinc/70/91/36/387709136.db2.gz FVUWMFVFFDIKHV-SYQHCUMBSA-N 2 0 238.375 1.770 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCc1ccsc1 ZINC000422810411 387709187 /nfs/dbraw/zinc/70/91/87/387709187.db2.gz RUELZJNXRJWXNG-QWRGUYRKSA-N 2 0 210.346 1.760 20 0 BDADRP C[C@@H]([NH2+][C@H]1CNCC[C@H]1C)C1CC[NH+](C)CC1 ZINC000643520997 387711275 /nfs/dbraw/zinc/71/12/75/387711275.db2.gz WZJFPQVFGLMQFH-BZPMIXESSA-N 2 0 239.407 1.304 20 0 BDADRP CCC[N@H+](CC)CCN[C@H]1CCC[C@H]1[NH3+] ZINC000422817310 387714289 /nfs/dbraw/zinc/71/42/89/387714289.db2.gz CVIXQBNJZTXAFE-NEPJUHHUSA-N 2 0 213.369 1.188 20 0 BDADRP CC(C)C[C@H](CN[C@H](C)C1C[NH2+]C1)[NH+](C)C ZINC000422817385 387715460 /nfs/dbraw/zinc/71/54/60/387715460.db2.gz HMQFPQWNXHZHQT-DGCLKSJQSA-N 2 0 227.396 1.160 20 0 BDADRP Cc1nc(CC[NH2+][C@H](C)C[C@H](C)[NH3+])cs1 ZINC000422821905 387716624 /nfs/dbraw/zinc/71/66/24/387716624.db2.gz ZEQWAXABDCBPON-DTWKUNHWSA-N 2 0 227.377 1.709 20 0 BDADRP COCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643521781 387716730 /nfs/dbraw/zinc/71/67/30/387716730.db2.gz BNGGJORYQXSYBG-BFHYXJOUSA-N 2 0 240.391 1.923 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCOCc1ccccc1 ZINC000422819616 387718001 /nfs/dbraw/zinc/71/80/01/387718001.db2.gz IPQUXAFDNGWNEA-KGLIPLIRSA-N 2 0 234.343 1.673 20 0 BDADRP Cc1nc(CC[NH2+][C@@H](C)C[C@@H](C)[NH3+])cs1 ZINC000422821904 387718146 /nfs/dbraw/zinc/71/81/46/387718146.db2.gz ZEQWAXABDCBPON-BDAKNGLRSA-N 2 0 227.377 1.709 20 0 BDADRP C[C@@H]([NH3+])[C@H](C)C(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000367513878 387719131 /nfs/dbraw/zinc/71/91/31/387719131.db2.gz OUFPHNUJIJWSLG-VHSXEESVSA-N 2 0 247.342 1.254 20 0 BDADRP COc1ccsc1[C@@H](C)NC[C@H](C)[NH3+] ZINC000643527809 387755493 /nfs/dbraw/zinc/75/54/93/387755493.db2.gz SYJXVBPLCAJRIJ-JGVFFNPUSA-N 2 0 214.334 1.755 20 0 BDADRP [NH3+][C@@H]1C[C@H](N[C@@H]2CCC[NH2+]CC2)c2ccccc21 ZINC000643522784 387722290 /nfs/dbraw/zinc/72/22/90/387722290.db2.gz FTWOOCIVJKMCEE-DFBGVHRSSA-N 2 0 245.370 1.863 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCCNc1ccccn1 ZINC000422838787 387728066 /nfs/dbraw/zinc/72/80/66/387728066.db2.gz YBYLWLUFDRDCIJ-RYUDHWBXSA-N 2 0 234.347 1.353 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H]2CCC[NH2+]2)cc1 ZINC000422789790 387731154 /nfs/dbraw/zinc/73/11/54/387731154.db2.gz SMNRABHWHNRBSP-MFKMUULPSA-N 2 0 247.342 1.188 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000422842468 387732146 /nfs/dbraw/zinc/73/21/46/387732146.db2.gz YGOXZWOPANSOAA-WUHRBBMRSA-N 2 0 227.396 1.575 20 0 BDADRP CC(C)[C@H](O)CC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422789774 387732944 /nfs/dbraw/zinc/73/29/44/387732944.db2.gz WYTSWMAZJQPLPX-JHJVBQTASA-N 2 0 228.380 1.371 20 0 BDADRP CC[C@@H](CCO)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422849737 387735938 /nfs/dbraw/zinc/73/59/38/387735938.db2.gz CLICCKGNOVGJJG-WOPDTQHZSA-N 2 0 214.353 1.125 20 0 BDADRP Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000643524159 387738344 /nfs/dbraw/zinc/73/83/44/387738344.db2.gz RKBISGDMKYNEKU-LSJOCFKGSA-N 2 0 222.336 1.639 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)[NH3+])C12CCCC2 ZINC000643527159 387764255 /nfs/dbraw/zinc/76/42/55/387764255.db2.gz KFVSNHAONOYAKJ-IJLUTSLNSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000422894487 387766495 /nfs/dbraw/zinc/76/64/95/387766495.db2.gz CKWBIUWQIOMPDW-XUXIUFHCSA-N 2 0 237.391 1.343 20 0 BDADRP CC[C@@H](C)[N@H+](C)CCN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422904255 387767721 /nfs/dbraw/zinc/76/77/21/387767721.db2.gz GNCBGPRXOGLXKM-UPJWGTAASA-N 2 0 227.396 1.447 20 0 BDADRP C[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000643527640 387768548 /nfs/dbraw/zinc/76/85/48/387768548.db2.gz PWOLDJNUGDKCFX-WUHRBBMRSA-N 2 0 226.364 1.519 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CN[C@@H]1CCC[C@H]1C[NH3+] ZINC000422910917 387769059 /nfs/dbraw/zinc/76/90/59/387769059.db2.gz RVYFGBZRHFSMMT-BFHYXJOUSA-N 2 0 239.407 1.578 20 0 BDADRP CN(C)c1ccccc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000422914882 387771830 /nfs/dbraw/zinc/77/18/30/387771830.db2.gz WJEUXSUXJTZMJJ-GXTWGEPZSA-N 2 0 247.386 1.970 20 0 BDADRP C[C@H]([NH3+])CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000643529639 387777078 /nfs/dbraw/zinc/77/70/78/387777078.db2.gz IETRNXOEBDIVGT-ZDEQEGDKSA-N 2 0 225.380 1.234 20 0 BDADRP CC[C@H]([NH2+][C@H]1CCSC1)[C@@H]1CCC[NH2+]1 ZINC000422922290 387777309 /nfs/dbraw/zinc/77/73/09/387777309.db2.gz SMRNADDQWLVUIF-DCAQKATOSA-N 2 0 214.378 1.612 20 0 BDADRP C[C@H]([NH3+])CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000643529636 387777449 /nfs/dbraw/zinc/77/74/49/387777449.db2.gz IETRNXOEBDIVGT-QNWHQSFQSA-N 2 0 225.380 1.234 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000643529605 387777601 /nfs/dbraw/zinc/77/76/01/387777601.db2.gz FZMXARORPUMSGH-VXGBXAGGSA-N 3 0 227.396 1.304 20 0 BDADRP COC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(C)C ZINC000130217731 387779132 /nfs/dbraw/zinc/77/91/32/387779132.db2.gz UPULBHXGRKMVNR-MJBXVCDLSA-N 2 0 240.391 1.874 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000643530004 387780747 /nfs/dbraw/zinc/78/07/47/387780747.db2.gz WRMOCQCJTSDZHK-GRYCIOLGSA-N 2 0 214.353 1.532 20 0 BDADRP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000422899668 387785572 /nfs/dbraw/zinc/78/55/72/387785572.db2.gz IBFQQMRIRLDDQN-MROQNXINSA-N 2 0 226.364 1.661 20 0 BDADRP CCC[N@@H+]1CC[C@H](CN[C@H]2CCC[C@H]2[NH3+])C1 ZINC000422978537 387788721 /nfs/dbraw/zinc/78/87/21/387788721.db2.gz ZNMGWQDNXFYPGQ-UPJWGTAASA-N 2 0 225.380 1.188 20 0 BDADRP CC[C@@H]([NH2+]C[C@@](C)(O)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000422979587 387791679 /nfs/dbraw/zinc/79/16/79/387791679.db2.gz NDIBTXAZWRNLHY-FRRDWIJNSA-N 2 0 228.380 1.514 20 0 BDADRP CC[C@@H]([NH2+]C[C@](C)(O)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000422979584 387791757 /nfs/dbraw/zinc/79/17/57/387791757.db2.gz NDIBTXAZWRNLHY-AGIUHOORSA-N 2 0 228.380 1.514 20 0 BDADRP CC(C)[C@](C)(O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422982578 387794394 /nfs/dbraw/zinc/79/43/94/387794394.db2.gz WYVABTCBTSRCBW-ZGVCCVRISA-N 2 0 226.364 1.266 20 0 BDADRP CC[C@H]([NH2+]CC(C)(C)CCCO)[C@@H]1CCC[NH2+]1 ZINC000422985708 387795782 /nfs/dbraw/zinc/79/57/82/387795782.db2.gz FWRORUYIYFNPJY-STQMWFEESA-N 2 0 242.407 1.905 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](CO)c1cccc(F)c1 ZINC000422995971 387802213 /nfs/dbraw/zinc/80/22/13/387802213.db2.gz RYAFQTQTWLPANZ-OPQQBVKSSA-N 2 0 240.322 1.575 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000423001243 387805403 /nfs/dbraw/zinc/80/54/03/387805403.db2.gz DIRPBVWDSLQMJO-SYQHCUMBSA-N 2 0 240.391 1.645 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)COCC(F)(F)F ZINC000422949171 387807092 /nfs/dbraw/zinc/80/70/92/387807092.db2.gz UHDZPAXZOYOTBY-CIUDSAMLSA-N 2 0 242.285 1.669 20 0 BDADRP CCC[C@H](CCO)C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423001909 387807778 /nfs/dbraw/zinc/80/77/78/387807778.db2.gz FGTCFQYDXAGXSO-QJPTWQEYSA-N 2 0 216.369 1.501 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCO[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000422950578 387807980 /nfs/dbraw/zinc/80/79/80/387807980.db2.gz YKDGVDDMLHQQIU-FIQHERPVSA-N 2 0 212.337 1.142 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCc1c[nH]c2ncccc12 ZINC000423002481 387808272 /nfs/dbraw/zinc/80/82/72/387808272.db2.gz JJGLJWVPFKGBMD-WDEREUQCSA-N 2 0 246.358 1.821 20 0 BDADRP COc1ccc([C@H]2CCN(C[C@H](C)[NH3+])C2)cc1 ZINC000442658964 387813434 /nfs/dbraw/zinc/81/34/34/387813434.db2.gz AMQPSZJQMMDHPP-AAEUAGOBSA-N 2 0 234.343 1.832 20 0 BDADRP Cc1cccc(NC[C@@H]2CCN(C[C@H](C)[NH3+])C2)[nH+]1 ZINC000442657243 387813606 /nfs/dbraw/zinc/81/36/06/387813606.db2.gz HFUAQLFCNKIFHC-AAEUAGOBSA-N 3 0 248.374 1.471 20 0 BDADRP CC1(C)C[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422954436 387810180 /nfs/dbraw/zinc/81/01/80/387810180.db2.gz IRUWPBVSAJBHAR-YIBTVLSRSA-N 2 0 208.349 1.905 20 0 BDADRP CC(C)[C@H](CN[C@H]1CCC[C@@H]1[NH3+])[NH+]1CCCC1 ZINC000422965225 387813566 /nfs/dbraw/zinc/81/35/66/387813566.db2.gz OAANIULYFJDDID-IHRRRGAJSA-N 2 0 239.407 1.576 20 0 BDADRP CC[C@@H](CN[C@H](C)C1C[NH2+]C1)[NH+]1CCCC1 ZINC000422961226 387811599 /nfs/dbraw/zinc/81/15/99/387811599.db2.gz BDJPIVTVQVETJG-YPMHNXCESA-N 2 0 225.380 1.058 20 0 BDADRP CC[N@H+](CCN[C@@H]1C[NH2+]CC[C@@H]1C)C1CC1 ZINC000422882464 387758375 /nfs/dbraw/zinc/75/83/75/387758375.db2.gz SIRKYMFUGKFYFP-WCQYABFASA-N 2 0 225.380 1.058 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)[C@H]1CCC[NH2+]1 ZINC000422887632 387760589 /nfs/dbraw/zinc/76/05/89/387760589.db2.gz LDBZJGHUGZUBTD-MRTXSQPYSA-N 2 0 238.375 1.674 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCCOC(F)F)CC[N@@H+]1C ZINC000194032040 387813692 /nfs/dbraw/zinc/81/36/92/387813692.db2.gz OYQDYBQLKJBDKU-NXEZZACHSA-N 2 0 236.306 1.688 20 0 BDADRP CC(C)[C@H]1OCC[C@@H]1C[NH2+][C@H](C)CCC[NH3+] ZINC000422972137 387821212 /nfs/dbraw/zinc/82/12/12/387821212.db2.gz ZPIZYDPVXHGWIN-JHJVBQTASA-N 2 0 228.380 1.765 20 0 BDADRP CO[C@H](CC[NH2+][C@@H](C)CCC[NH3+])C(F)(F)F ZINC000423072102 387872895 /nfs/dbraw/zinc/87/28/95/387872895.db2.gz PDMUZLWRLOCGGI-DTWKUNHWSA-N 2 0 242.285 1.671 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422972620 387822108 /nfs/dbraw/zinc/82/21/08/387822108.db2.gz AATUPBSKVCDZBU-DCAQKATOSA-N 2 0 200.326 1.007 20 0 BDADRP CC(C)[C@](C)(O)C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422974569 387823200 /nfs/dbraw/zinc/82/32/00/387823200.db2.gz FJPQQSRCVKVCGJ-JHJVBQTASA-N 2 0 228.380 1.371 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)C1C[NH2+]C1)Oc1ccccc1 ZINC000422975214 387824052 /nfs/dbraw/zinc/82/40/52/387824052.db2.gz BKAGITYMTCAHBK-NEPJUHHUSA-N 2 0 234.343 1.651 20 0 BDADRP C[C@H]([NH2+]CC1Cc2ccccc2C1)C1C[NH2+]C1 ZINC000422975589 387824279 /nfs/dbraw/zinc/82/42/79/387824279.db2.gz BMZUJYUIENTQOJ-NSHDSACASA-N 2 0 230.355 1.599 20 0 BDADRP C[C@H](Cc1ccc(O)cc1)[NH2+]C1CC[NH2+]CC1 ZINC000422974276 387824425 /nfs/dbraw/zinc/82/44/25/387824425.db2.gz QTNSTEPANUPMCL-LLVKDONJSA-N 2 0 234.343 1.665 20 0 BDADRP CC(C)CC[C@](C)(O)C[NH2+][C@H](C)CCC[NH3+] ZINC000422975284 387824612 /nfs/dbraw/zinc/82/46/12/387824612.db2.gz GLINKGWPFHEDFJ-OLZOCXBDSA-N 2 0 230.396 1.891 20 0 BDADRP COc1cccc(CC[NH2+][C@@H](C)C[C@H](C)[NH3+])n1 ZINC000423005028 387825502 /nfs/dbraw/zinc/82/55/02/387825502.db2.gz LMTJHSRFCARNSM-QWRGUYRKSA-N 2 0 237.347 1.348 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000423004629 387826263 /nfs/dbraw/zinc/82/62/63/387826263.db2.gz KKGZGVCRNHRRBL-RQJABVFESA-N 2 0 240.391 1.515 20 0 BDADRP CC(C)(C)[NH+]1CCC([NH2+]CC2COC2)CC1 ZINC000528024339 387828414 /nfs/dbraw/zinc/82/84/14/387828414.db2.gz JMJUSAORBNCBFB-UHFFFAOYSA-N 2 0 226.364 1.485 20 0 BDADRP CC(C)CN1CCC[C@@H]1C[NH2+][C@@H](C)CCC[NH3+] ZINC000423005395 387828928 /nfs/dbraw/zinc/82/89/28/387828928.db2.gz RWQMUXTWTQSRDX-UONOGXRCSA-N 2 0 241.423 1.824 20 0 BDADRP [NH3+]CC1CCC([NH2+]C[C@H]2CCC[C@H](O)C2)CC1 ZINC000423006987 387829188 /nfs/dbraw/zinc/82/91/88/387829188.db2.gz PROIJRVEDWLYSJ-YIOUJQMASA-N 2 0 240.391 1.645 20 0 BDADRP Cc1cnccc1CC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423009336 387831231 /nfs/dbraw/zinc/83/12/31/387831231.db2.gz CSOYRVVJFJFOFA-NWDGAFQWSA-N 2 0 221.348 1.648 20 0 BDADRP C[C@@H]([NH2+]CCC1Cc2ccccc2C1)C1C[NH2+]C1 ZINC000423009158 387831789 /nfs/dbraw/zinc/83/17/89/387831789.db2.gz CIVABWRKWXEWLI-GFCCVEGCSA-N 2 0 244.382 1.989 20 0 BDADRP C[C@](O)(C[NH2+][C@H]1CCC[C@H]1C[NH3+])C(F)(F)F ZINC000423011332 387833377 /nfs/dbraw/zinc/83/33/77/387833377.db2.gz IQIOMKMACSITBD-CIUDSAMLSA-N 2 0 240.269 1.017 20 0 BDADRP CC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])[C@@H]1CCCO1 ZINC000423012733 387836777 /nfs/dbraw/zinc/83/67/77/387836777.db2.gz LFPVEPWTPTUMDY-WYUUTHIRSA-N 2 0 214.353 1.659 20 0 BDADRP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCO1 ZINC000423016417 387840345 /nfs/dbraw/zinc/84/03/45/387840345.db2.gz SVZSKOWKJIORPH-YJBUHQLJSA-N 2 0 238.375 1.817 20 0 BDADRP C[N@H+]1CC=C(C[NH2+]C2CCC(C[NH3+])CC2)CC1 ZINC000423017677 387841102 /nfs/dbraw/zinc/84/11/02/387841102.db2.gz PIUBPYSBVKIHLG-UHFFFAOYSA-N 3 0 237.391 1.355 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000423073448 387874847 /nfs/dbraw/zinc/87/48/47/387874847.db2.gz IRIWQFLVKUDFBJ-TZMCWYRMSA-N 2 0 239.407 1.720 20 0 BDADRP CC(C)[C@@H](O)C1(C[NH2+][C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000423018260 387842036 /nfs/dbraw/zinc/84/20/36/387842036.db2.gz QNSZNGZNKGFHDI-SDDRHHMPSA-N 2 0 228.380 1.499 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1cnc(C)s1 ZINC000629529770 387873751 /nfs/dbraw/zinc/87/37/51/387873751.db2.gz MLNDCNHMPRITRZ-VIFPVBQESA-N 2 0 243.376 1.338 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC[C@H]1CCCO1 ZINC000643459638 387847528 /nfs/dbraw/zinc/84/75/28/387847528.db2.gz IGSIEAZUTOMHQG-JHJVBQTASA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H](O)C[C@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423034481 387848607 /nfs/dbraw/zinc/84/86/07/387848607.db2.gz QHJUUAMGWZLKKD-DMOGRIERSA-N 2 0 214.353 1.253 20 0 BDADRP C[C@H](N[C@H]1CCC[N@H+](C)[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423032730 387849405 /nfs/dbraw/zinc/84/94/05/387849405.db2.gz NBGCKNMQVKTMKI-CYDGBPFRSA-N 2 0 225.380 1.199 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C1Cc2ccccc2C1 ZINC000423031906 387849528 /nfs/dbraw/zinc/84/95/28/387849528.db2.gz DWNSPLILUPUUEE-QWRGUYRKSA-N 2 0 218.344 1.869 20 0 BDADRP C[C@H](N[C@H]1CCC[N@H+](C)[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423032733 387849681 /nfs/dbraw/zinc/84/96/81/387849681.db2.gz NBGCKNMQVKTMKI-RNJOBUHISA-N 2 0 225.380 1.199 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000423035490 387850663 /nfs/dbraw/zinc/85/06/63/387850663.db2.gz RNDPAUFHRSPZLH-UPJWGTAASA-N 2 0 226.364 1.663 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC[C@H]1CCO[C@@H](C)C1 ZINC000423036527 387851513 /nfs/dbraw/zinc/85/15/13/387851513.db2.gz UGTUCRUDNYMTQH-CYDGBPFRSA-N 2 0 228.380 1.907 20 0 BDADRP C[C@H](C[NH+]1CCCCCC1)N[C@H]1CC[NH2+]C1 ZINC000423045093 387854974 /nfs/dbraw/zinc/85/49/74/387854974.db2.gz BKOQHUXERASUAI-OLZOCXBDSA-N 2 0 225.380 1.202 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H](C)C(F)(F)F ZINC000423051898 387859853 /nfs/dbraw/zinc/85/98/53/387859853.db2.gz OOGKCFGRXOOMBW-GJMOJQLCSA-N 2 0 212.259 1.900 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)CC1 ZINC000423053326 387862109 /nfs/dbraw/zinc/86/21/09/387862109.db2.gz AKUFDJZXSSVBPG-LFGDDXOXSA-N 2 0 238.375 1.661 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]2OCCC[C@H]12 ZINC000423054703 387863128 /nfs/dbraw/zinc/86/31/28/387863128.db2.gz CCFVKDALUDVPNU-MEBFFEOJSA-N 2 0 238.375 1.661 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000423060695 387865684 /nfs/dbraw/zinc/86/56/84/387865684.db2.gz PASANMSELWYRJS-HTOAHKCRSA-N 2 0 238.375 1.532 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)NCC1([NH+](C)C)CCC1 ZINC000423063118 387867841 /nfs/dbraw/zinc/86/78/41/387867841.db2.gz VNGLZRGTHRVOBQ-GHMZBOCLSA-N 2 0 213.369 1.186 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@H]1CC[C@@H](C)C1 ZINC000423066581 387869187 /nfs/dbraw/zinc/86/91/87/387869187.db2.gz XHTWBXCQJCOSIP-QNWJLWSRSA-N 2 0 226.364 1.517 20 0 BDADRP CC(C)[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])C(C)(C)O ZINC000423068266 387870307 /nfs/dbraw/zinc/87/03/07/387870307.db2.gz BIZMPDLJWWTZGG-DCAQKATOSA-N 2 0 216.369 1.497 20 0 BDADRP C[C@H](NC[C@H]1CCCC[N@@H+]1C1CC1)C1C[NH2+]C1 ZINC000423069743 387871682 /nfs/dbraw/zinc/87/16/82/387871682.db2.gz BSKUBOJFAWAYJV-SMDDNHRTSA-N 2 0 237.391 1.201 20 0 BDADRP CCC(O)(CC)CC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000423069829 387871727 /nfs/dbraw/zinc/87/17/27/387871727.db2.gz MJJVDYPTFOZCEF-RYUDHWBXSA-N 2 0 228.380 1.645 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCc1ccc(CO)cc1 ZINC000643478241 387813681 /nfs/dbraw/zinc/81/36/81/387813681.db2.gz KPPACLWDZOWIML-HUUCEWRRSA-N 2 0 248.370 1.438 20 0 BDADRP C[C@H]([NH3+])CN1CC[C@@H](Cc2ccccc2)C1 ZINC000442659423 387814171 /nfs/dbraw/zinc/81/41/71/387814171.db2.gz KMUBIIRZYIBXAK-JSGCOSHPSA-N 2 0 218.344 1.898 20 0 BDADRP COc1ccc([C@@H](CO)N(C)C[C@@H](C)[NH3+])cc1 ZINC000442665827 387814208 /nfs/dbraw/zinc/81/42/08/387814208.db2.gz QWDRQGIGEFHECZ-ZWNOBZJWSA-N 2 0 238.331 1.008 20 0 BDADRP CC[C@H](C[NH2+][C@H](C)CCC[NH3+])N1CCCC1 ZINC000422963410 387814792 /nfs/dbraw/zinc/81/47/92/387814792.db2.gz IMUQONFCXVOKCM-CHWSQXEVSA-N 2 0 227.396 1.578 20 0 BDADRP Cc1cccc(NC[C@H]2CCN(C[C@H](C)[NH3+])C2)[nH+]1 ZINC000442657252 387815021 /nfs/dbraw/zinc/81/50/21/387815021.db2.gz HFUAQLFCNKIFHC-WCQYABFASA-N 3 0 248.374 1.471 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@H]1C[NH2+]CC[C@@H]1C ZINC000422964324 387815003 /nfs/dbraw/zinc/81/50/03/387815003.db2.gz LISFVMBNAJVMEE-STQMWFEESA-N 2 0 227.396 1.304 20 0 BDADRP COc1cc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)ccn1 ZINC000422968291 387816126 /nfs/dbraw/zinc/81/61/26/387816126.db2.gz WEMDFIKNVVUBEB-DGCLKSJQSA-N 2 0 249.358 1.568 20 0 BDADRP COc1cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])ccn1 ZINC000422968233 387817384 /nfs/dbraw/zinc/81/73/84/387817384.db2.gz VSQAKIFXDUGYPP-VHSXEESVSA-N 2 0 223.320 1.306 20 0 BDADRP CCC(CC)[C@@H](CN[C@H](C)C1C[NH2+]C1)[NH+](C)C ZINC000422968617 387818787 /nfs/dbraw/zinc/81/87/87/387818787.db2.gz XIINRNYRONZRHK-BXUZGUMPSA-N 2 0 241.423 1.550 20 0 BDADRP OC1CCC([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000236486381 387889649 /nfs/dbraw/zinc/88/96/49/387889649.db2.gz BYYJGGBDYQOCLF-LKSINWNRSA-N 2 0 238.375 1.364 20 0 BDADRP CCC[N@@H+]1CCC[C@H]1CN[C@@H]1CCC[C@@H]1[NH3+] ZINC000423115939 387898825 /nfs/dbraw/zinc/89/88/25/387898825.db2.gz ZBXBHQWHMJXBMF-RWMBFGLXSA-N 2 0 225.380 1.330 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H](CO)CC1CCCC1 ZINC000423106911 387890537 /nfs/dbraw/zinc/89/05/37/387890537.db2.gz RQHKINRYOXASCU-SCRDCRAPSA-N 2 0 242.407 1.891 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]1C ZINC000423109262 387892582 /nfs/dbraw/zinc/89/25/82/387892582.db2.gz URSSJXMGGNYMNO-PEDHHIEDSA-N 2 0 240.391 1.765 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000423110100 387894422 /nfs/dbraw/zinc/89/44/22/387894422.db2.gz ULVNKMCNVAGXRL-MNOVXSKESA-N 2 0 246.358 1.821 20 0 BDADRP COCC[C@H]([NH2+][C@@H]1CC[NH2+]C1)C(C)(C)C ZINC000423115096 387895747 /nfs/dbraw/zinc/89/57/47/387895747.db2.gz MSMMBHCKANVVJN-MNOVXSKESA-N 2 0 214.353 1.389 20 0 BDADRP C[C@H]([NH2+][C@@H]1CSC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000423114497 387896034 /nfs/dbraw/zinc/89/60/34/387896034.db2.gz VYXGLHMQLKNAIT-LMLFDSFASA-N 2 0 214.378 1.468 20 0 BDADRP C[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000423113627 387896361 /nfs/dbraw/zinc/89/63/61/387896361.db2.gz URNFAPIBRUOPJP-MQYQWHSLSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000423113626 387896752 /nfs/dbraw/zinc/89/67/52/387896752.db2.gz URNFAPIBRUOPJP-AAVRWANBSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCSC1)[C@H]1CCC[NH2+]1 ZINC000423080749 387876086 /nfs/dbraw/zinc/87/60/86/387876086.db2.gz AIIOVTMWDGJVSH-OUAUKWLOSA-N 2 0 214.378 1.470 20 0 BDADRP C[C@H](NCC[N@@H+]1CCCC(C)(C)C1)C1C[NH2+]C1 ZINC000423078329 387877308 /nfs/dbraw/zinc/87/73/08/387877308.db2.gz VRTKHYZANWDMQT-LBPRGKRZSA-N 2 0 239.407 1.306 20 0 BDADRP CCOC1CC(O)(C[NH2+][C@H](C)CCCC[NH3+])C1 ZINC000423088891 387879945 /nfs/dbraw/zinc/87/99/45/387879945.db2.gz REMUMROWHNKPNR-PNESKVBLSA-N 2 0 244.379 1.024 20 0 BDADRP COCC1(C[NH2+][C@H](C)C[C@H](C)[NH3+])CCC1 ZINC000423117076 387898564 /nfs/dbraw/zinc/89/85/64/387898564.db2.gz SUVGTCBJSCTUKQ-WDEREUQCSA-N 2 0 214.353 1.519 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CCC1(C)CC1 ZINC000423091105 387883398 /nfs/dbraw/zinc/88/33/98/387883398.db2.gz ZJOUJIROJTYHQR-NSHDSACASA-N 2 0 214.353 1.520 20 0 BDADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)CCC[NH3+])C1 ZINC000423096485 387884334 /nfs/dbraw/zinc/88/43/34/387884334.db2.gz PAKIGBUNBZUMHR-TUAOUCFPSA-N 2 0 242.363 1.435 20 0 BDADRP CCC[N@@H+]1CCC[C@H]1CN[C@H](C)C1C[NH2+]C1 ZINC000423100048 387886247 /nfs/dbraw/zinc/88/62/47/387886247.db2.gz BHWFIPVPZVOSBN-YPMHNXCESA-N 2 0 225.380 1.058 20 0 BDADRP COc1ncccc1CC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000423141702 387918999 /nfs/dbraw/zinc/91/89/99/387918999.db2.gz RJWGSVZTFQWCLO-OLZOCXBDSA-N 2 0 249.358 1.350 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CCCSC1 ZINC000423119579 387900425 /nfs/dbraw/zinc/90/04/25/387900425.db2.gz DYXZRWGYTRIOTO-GARJFASQSA-N 2 0 216.394 1.845 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H](CO)C1)[C@@H]1CC[NH2+]C1 ZINC000423121097 387901343 /nfs/dbraw/zinc/90/13/43/387901343.db2.gz IDTMDIMYKFQDOT-IGQOVBAYSA-N 2 0 240.391 1.373 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)[C@@H]1CCCC[NH2+]1 ZINC000423120086 387901422 /nfs/dbraw/zinc/90/14/22/387901422.db2.gz GEDONRQCRDQJGM-QCNOEVLYSA-N 2 0 214.328 1.997 20 0 BDADRP CC(C)[N@@H+](C)C[C@H](C)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423124286 387902040 /nfs/dbraw/zinc/90/20/40/387902040.db2.gz ODFUJFNIUDAFPF-ICIURTGMSA-N 2 0 239.407 1.588 20 0 BDADRP CCCC[N@H+](C)C[C@H](C)N[C@H](C)C1C[NH2+]C1 ZINC000423123856 387902240 /nfs/dbraw/zinc/90/22/40/387902240.db2.gz NOVPWLIEGXPVNJ-NWDGAFQWSA-N 2 0 227.396 1.304 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CC[C@H](F)C1 ZINC000423125648 387904725 /nfs/dbraw/zinc/90/47/25/387904725.db2.gz NQHOQUMEMJZFQU-VWYCJHECSA-N 2 0 202.317 1.984 20 0 BDADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1CCCOC1 ZINC000423127366 387905915 /nfs/dbraw/zinc/90/59/15/387905915.db2.gz PKHOMEYAYULFLO-SNPRPXQTSA-N 2 0 248.370 1.714 20 0 BDADRP CCCC[N@H+](C)C[C@@H](C)N[C@@H](C)C[C@H](C)[NH3+] ZINC000423130711 387906641 /nfs/dbraw/zinc/90/66/41/387906641.db2.gz YRSJHVGCJQBQLX-RWMBFGLXSA-N 2 0 229.412 1.822 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@H](CO)CC1CCC1 ZINC000423130621 387906658 /nfs/dbraw/zinc/90/66/58/387906658.db2.gz MZNBIUXFMOKRCT-JQWIXIFHSA-N 2 0 214.353 1.255 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](CO)CC1CCC1 ZINC000423130150 387908365 /nfs/dbraw/zinc/90/83/65/387908365.db2.gz MOXQEZIWFNJWIA-HOSYDEDBSA-N 2 0 214.353 1.253 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](CO)C1CCCCC1 ZINC000423133418 387912426 /nfs/dbraw/zinc/91/24/26/387912426.db2.gz KIQWJEVQDUQLIM-SGMGOOAPSA-N 2 0 242.407 1.891 20 0 BDADRP CC[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)C(C)(C)O ZINC000423135298 387914338 /nfs/dbraw/zinc/91/43/38/387914338.db2.gz NLBIWWXCFJQCPK-GARJFASQSA-N 2 0 214.353 1.266 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@H](CO)C2CCCC2)CC1 ZINC000423139455 387915511 /nfs/dbraw/zinc/91/55/11/387915511.db2.gz KSNZJJNMWFGAJM-UXUKBGGZSA-N 2 0 240.391 1.645 20 0 BDADRP CC[C@H]([NH2+]C1CCC(C[NH3+])CC1)C(C)(C)O ZINC000423138966 387915865 /nfs/dbraw/zinc/91/58/65/387915865.db2.gz UQNLSEXCCJIOCB-MCIGGMRASA-N 2 0 228.380 1.643 20 0 BDADRP CCC[N@H+](CC)C[C@@H](C)N[C@H](C)C[C@@H](C)[NH3+] ZINC000423139462 387916051 /nfs/dbraw/zinc/91/60/51/387916051.db2.gz KTNVFEDCEVRGQQ-JHJVBQTASA-N 2 0 229.412 1.822 20 0 BDADRP C[C@H](CCCO)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000423151504 387929342 /nfs/dbraw/zinc/92/93/42/387929342.db2.gz CLCGOPRCEWELDG-PNESKVBLSA-N 2 0 228.380 1.502 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423153012 387932561 /nfs/dbraw/zinc/93/25/61/387932561.db2.gz MSKRHXHKTABGAT-LNFKQOIKSA-N 2 0 200.326 1.269 20 0 BDADRP CC[C@@H]([NH2+]C1CCC(C[NH3+])CC1)[C@H](C)O ZINC000423153934 387932682 /nfs/dbraw/zinc/93/26/82/387932682.db2.gz OELXQPQTYQUMQW-WNYYMSAVSA-N 2 0 214.353 1.253 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1C[C@H]1C(C)C ZINC000423154374 387932761 /nfs/dbraw/zinc/93/27/61/387932761.db2.gz OVZBXDRBJLKGJE-AVGNSLFASA-N 2 0 228.380 1.622 20 0 BDADRP CC/C=C/C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000423156250 387935044 /nfs/dbraw/zinc/93/50/44/387935044.db2.gz KUYFSCJUBAJBSR-MRPUBWEVSA-N 2 0 212.337 1.295 20 0 BDADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H](C)CCC[NH3+])C1 ZINC000423157058 387936367 /nfs/dbraw/zinc/93/63/67/387936367.db2.gz ABILQAIAQFENMX-SDDRHHMPSA-N 2 0 214.353 1.659 20 0 BDADRP C[C@@H]([NH2+]C[C@@H](CO)C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000423142774 387921367 /nfs/dbraw/zinc/92/13/67/387921367.db2.gz VWJLEPXZGXRVHP-WXHSDQCUSA-N 2 0 226.364 1.125 20 0 BDADRP CC[C@H]([NH2+]C[C@@H](CO)C1CC1)[C@H]1CCCC[NH2+]1 ZINC000423143580 387921377 /nfs/dbraw/zinc/92/13/77/387921377.db2.gz XKQHVDNSNPEDLE-MELADBBJSA-N 2 0 240.391 1.515 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H](CO)C1CC1 ZINC000423144854 387922897 /nfs/dbraw/zinc/92/28/97/387922897.db2.gz ZRBQPCLHNQZGCL-XQQFMLRXSA-N 2 0 226.364 1.255 20 0 BDADRP Cc1ccncc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423146324 387923785 /nfs/dbraw/zinc/92/37/85/387923785.db2.gz ACEUBAZJHWPUEZ-WDEREUQCSA-N 2 0 207.321 1.605 20 0 BDADRP CC(F)(F)CCC[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000423145977 387923831 /nfs/dbraw/zinc/92/38/31/387923831.db2.gz NHQGWVDHWAXHRX-IUCAKERBSA-N 2 0 206.280 1.891 20 0 BDADRP C[NH2+]CCCC(=O)NCC1([NH3+])CCCCCC1 ZINC000237156328 387924544 /nfs/dbraw/zinc/92/45/44/387924544.db2.gz ZQICCYMHIMOUNE-UHFFFAOYSA-N 2 0 241.379 1.154 20 0 BDADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H]2[NH3+])CCO1 ZINC000423147344 387924666 /nfs/dbraw/zinc/92/46/66/387924666.db2.gz CJLBHDUSQUTZJD-RQJABVFESA-N 2 0 240.391 1.907 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCC[C@H]1F ZINC000423149171 387928152 /nfs/dbraw/zinc/92/81/52/387928152.db2.gz XHOQXBIRCFNMEK-MXWKQRLJSA-N 2 0 218.316 1.221 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000423149804 387928567 /nfs/dbraw/zinc/92/85/67/387928567.db2.gz XWJWBTGENFMPSZ-VLEAKVRGSA-N 2 0 200.301 1.594 20 0 BDADRP CC[C@H](O)[C@H](CC)[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423168216 387951699 /nfs/dbraw/zinc/95/16/99/387951699.db2.gz XRNAWZRCIIRLIA-ZNSHCXBVSA-N 2 0 202.342 1.251 20 0 BDADRP CC1(C)CCC[N@@H+]1CCN[C@@H]1CCC[C@H]1[NH3+] ZINC000423168339 387951704 /nfs/dbraw/zinc/95/17/04/387951704.db2.gz UKWBBGMRVCDJME-VXGBXAGGSA-N 2 0 225.380 1.330 20 0 BDADRP CC1(C)CCC[N@@H+]1CCN[C@@H]1CCC[C@@H]1[NH3+] ZINC000423168337 387952309 /nfs/dbraw/zinc/95/23/09/387952309.db2.gz UKWBBGMRVCDJME-NWDGAFQWSA-N 2 0 225.380 1.330 20 0 BDADRP CC(C)COCC[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424283715 387952836 /nfs/dbraw/zinc/95/28/36/387952836.db2.gz BPFWYHROJIOBAQ-VXGBXAGGSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@H]1CC[NH2+]C[C@@H]1NCC[N@@H+]1CCCC1(C)C ZINC000423171333 387956551 /nfs/dbraw/zinc/95/65/51/387956551.db2.gz ZVABEJWSWUQHHJ-STQMWFEESA-N 2 0 239.407 1.448 20 0 BDADRP Cc1ccc(CC[NH2+][C@@H](C)CCC[NH3+])nc1 ZINC000423168880 387954983 /nfs/dbraw/zinc/95/49/83/387954983.db2.gz VENPVURMKPIPJR-LBPRGKRZSA-N 2 0 221.348 1.650 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000423168470 387955136 /nfs/dbraw/zinc/95/51/36/387955136.db2.gz XZTCFHUNCSWIKR-CRWXNKLISA-N 2 0 240.391 1.515 20 0 BDADRP C[C@@H]1CCNC[C@@H]1[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000423171513 387956125 /nfs/dbraw/zinc/95/61/25/387956125.db2.gz OSWUHKDSXFUOCD-MCIONIFRSA-N 2 0 239.407 1.306 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000423158764 387938555 /nfs/dbraw/zinc/93/85/55/387938555.db2.gz DFBZLVUDGNMGNN-VHSXEESVSA-N 2 0 218.291 1.891 20 0 BDADRP CCO[C@@H]1CCC[C@H]1[NH2+][C@H](CCC[NH3+])COC ZINC000423158840 387938569 /nfs/dbraw/zinc/93/85/69/387938569.db2.gz DOEFTEUNHCIAAX-JHJVBQTASA-N 2 0 244.379 1.288 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424231285 387942582 /nfs/dbraw/zinc/94/25/82/387942582.db2.gz BUUQODOXKIMZIR-LLVKDONJSA-N 2 0 249.358 1.780 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC[C@@H](CO)C1)[C@@H]1CCCC[NH2+]1 ZINC000423161159 387944044 /nfs/dbraw/zinc/94/40/44/387944044.db2.gz RLZUYJMDWKIIPY-NDBYEHHHSA-N 2 0 226.364 1.268 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000423163116 387944940 /nfs/dbraw/zinc/94/49/40/387944940.db2.gz QTEPXAWQKDQFSW-KKOKHZNYSA-N 2 0 212.337 1.007 20 0 BDADRP CC[C@H](C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[NH3+])OC ZINC000423162890 387946205 /nfs/dbraw/zinc/94/62/05/387946205.db2.gz URQILDMWKMZKOM-QCNOEVLYSA-N 2 0 214.353 1.517 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCC[C@H]1O)[C@@H]1CCCC[NH2+]1 ZINC000423163254 387946898 /nfs/dbraw/zinc/94/68/98/387946898.db2.gz MHZXFBXFOPJMIZ-MROQNXINSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@@H](NCC[N@@H+]1CCCC1(C)C)C1C[NH2+]C1 ZINC000423164743 387947892 /nfs/dbraw/zinc/94/78/92/387947892.db2.gz PBWCOYUMJNPIKR-LLVKDONJSA-N 2 0 225.380 1.058 20 0 BDADRP COCC[C@@H](C)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423165606 387948511 /nfs/dbraw/zinc/94/85/11/387948511.db2.gz BGUSJERKBAFARG-WOPDTQHZSA-N 2 0 214.353 1.389 20 0 BDADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000423164679 387948692 /nfs/dbraw/zinc/94/86/92/387948692.db2.gz OSOIMYLURCYHLX-YIYPIFLZSA-N 2 0 240.391 1.920 20 0 BDADRP C[C@@H](C[NH3+])N(C)C[C@H](C[NH3+])c1ccc(F)cc1 ZINC000424268820 387948778 /nfs/dbraw/zinc/94/87/78/387948778.db2.gz LSOXKQFFIAWMSW-JQWIXIFHSA-N 2 0 239.338 1.147 20 0 BDADRP COC(=O)CC1CC([NH2+][C@H](C)CC[NH+](C)C)C1 ZINC000424276987 387948844 /nfs/dbraw/zinc/94/88/44/387948844.db2.gz ZPJUTLJQEYVBCL-VOMCLLRMSA-N 2 0 242.363 1.258 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H]2CCCO2)C1 ZINC000245452907 387949285 /nfs/dbraw/zinc/94/92/85/387949285.db2.gz QUMBPHPURSNYRJ-CHWSQXEVSA-N 2 0 226.364 1.439 20 0 BDADRP C[C@H]([NH2+]CC(C)(C)C1(O)CCCC1)C1C[NH2+]C1 ZINC000423166228 387949789 /nfs/dbraw/zinc/94/97/89/387949789.db2.gz QYPBGKAWRFKBFJ-NSHDSACASA-N 2 0 240.391 1.515 20 0 BDADRP COCC1(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])CCCC1 ZINC000423166596 387950740 /nfs/dbraw/zinc/95/07/40/387950740.db2.gz RFDFOIKCICSXAJ-NWDGAFQWSA-N 2 0 226.364 1.663 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CC[C@H](C)O1 ZINC000423166167 387950766 /nfs/dbraw/zinc/95/07/66/387950766.db2.gz QTLQKQVXHIDEJV-XWLWVQCSSA-N 2 0 200.326 1.269 20 0 BDADRP COCC[C@H](C)C[NH2+][C@H](C)CCCC[NH3+] ZINC000423171946 387958803 /nfs/dbraw/zinc/95/88/03/387958803.db2.gz QOUZSYQCTLCITN-NWDGAFQWSA-N 2 0 216.369 1.766 20 0 BDADRP CO[C@@H]1C[C@@H]([NH2+][C@@H](C)CCC[NH3+])C12CCC2 ZINC000423171625 387959742 /nfs/dbraw/zinc/95/97/42/387959742.db2.gz PFTHLSSDXWMAGT-QJPTWQEYSA-N 2 0 226.364 1.661 20 0 BDADRP COCC[C@H](C)C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423172454 387960037 /nfs/dbraw/zinc/96/00/37/387960037.db2.gz SYZYMNWRSYNGIA-RWMBFGLXSA-N 2 0 228.380 1.637 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+][C@@H](C)CCC[NH3+])C12CCC2 ZINC000423171626 387960212 /nfs/dbraw/zinc/96/02/12/387960212.db2.gz PFTHLSSDXWMAGT-SDDRHHMPSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000423176493 387962259 /nfs/dbraw/zinc/96/22/59/387962259.db2.gz GCQWOMJNJXVTCQ-KSTCHIGDSA-N 2 0 240.391 1.920 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1NCC1([NH3+])CCCCC1 ZINC000423176375 387962479 /nfs/dbraw/zinc/96/24/79/387962479.db2.gz HACKYRJCXKXSHJ-NEPJUHHUSA-N 2 0 225.380 1.365 20 0 BDADRP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H](O)C(C)C ZINC000423179208 387965750 /nfs/dbraw/zinc/96/57/50/387965750.db2.gz JFEZYOUJDDYFBG-PJIALRRASA-N 2 0 240.391 1.655 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@H]2CCC[C@@H](CO)C2)CC1 ZINC000423180258 387966331 /nfs/dbraw/zinc/96/63/31/387966331.db2.gz KMZBTIUEMKLNMI-HHTDUIENSA-N 2 0 240.391 1.645 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@@H]2CCC[C@@H](CO)C2)CC1 ZINC000423180255 387966634 /nfs/dbraw/zinc/96/66/34/387966634.db2.gz KMZBTIUEMKLNMI-FKZOYECMSA-N 2 0 240.391 1.645 20 0 BDADRP C[N@H+](CC[C@H]1CCC[NH+]1C)C[C@H]1CCCOC1 ZINC000245624864 387968038 /nfs/dbraw/zinc/96/80/38/387968038.db2.gz OQRWKVHAZRFHTH-ZIAGYGMSSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1F ZINC000423184136 387970244 /nfs/dbraw/zinc/97/02/44/387970244.db2.gz MZQOGNPKKOLENL-UKKRHICBSA-N 2 0 202.317 1.983 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)[C@H]1CCC[NH2+]1 ZINC000423170884 387957465 /nfs/dbraw/zinc/95/74/65/387957465.db2.gz NAEWIVHUIZEIFZ-MELADBBJSA-N 3 0 239.407 1.448 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCOCC(F)(F)F ZINC000424338689 387980748 /nfs/dbraw/zinc/98/07/48/387980748.db2.gz VAUNJTJISOXCHA-RKDXNWHRSA-N 2 0 240.269 1.425 20 0 BDADRP CC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])[C@@H](O)C(C)C ZINC000423188830 387974103 /nfs/dbraw/zinc/97/41/03/387974103.db2.gz QMOSEOAKZVIJLV-WYUUTHIRSA-N 2 0 216.369 1.497 20 0 BDADRP CSCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000106869007 387975266 /nfs/dbraw/zinc/97/52/66/387975266.db2.gz NSCSCYWATGKUSD-NWDGAFQWSA-N 2 0 228.405 1.956 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423191370 387976259 /nfs/dbraw/zinc/97/62/59/387976259.db2.gz SRFCNEKEYDCIDB-VEGXAWMVSA-N 2 0 226.364 1.530 20 0 BDADRP C[C@@H]([NH2+]CCCOCC1CC1)[C@@H]1CCC[NH2+]1 ZINC000400488981 387976574 /nfs/dbraw/zinc/97/65/74/387976574.db2.gz YLSYYYIJPYFWHN-YPMHNXCESA-N 2 0 226.364 1.533 20 0 BDADRP C[NH2+]CCC[NH2+][C@H]1CCc2ccccc21 ZINC000423191817 387976707 /nfs/dbraw/zinc/97/67/07/387976707.db2.gz UDMDKWRHDIXACQ-ZDUSSCGKSA-N 2 0 204.317 1.873 20 0 BDADRP COCC1CCC([NH2+][C@H]2CCC[NH2+]CC2)CC1 ZINC000423190508 387976801 /nfs/dbraw/zinc/97/68/01/387976801.db2.gz RXCJEYDNYWOLJV-MOKVOYLWSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000423192311 387978261 /nfs/dbraw/zinc/97/82/61/387978261.db2.gz ULXTXPUJQBAINX-HGCLJGPKSA-N 2 0 214.353 1.515 20 0 BDADRP CC1(C)CCC[C@@H]([NH2+]CCN2CC[NH2+]CC2)C1 ZINC000423201391 387987304 /nfs/dbraw/zinc/98/73/04/387987304.db2.gz INSUNXZDDCUONU-CYBMUJFWSA-N 2 0 239.407 1.450 20 0 BDADRP CC[C@H]([NH2+]CCN1CC[NH2+]CC1)[C@@H]1CC1(C)C ZINC000423200883 387987594 /nfs/dbraw/zinc/98/75/94/387987594.db2.gz GUDDPIAWFHINGT-STQMWFEESA-N 2 0 239.407 1.306 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](O)C2(C)C)CCN1C ZINC000245929918 387995804 /nfs/dbraw/zinc/99/58/04/387995804.db2.gz IBEFBALSOPUBCD-WYUUTHIRSA-N 2 0 226.364 1.218 20 0 BDADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]CCC[NH2+]C ZINC000423202809 387989746 /nfs/dbraw/zinc/98/97/46/387989746.db2.gz RFEGVYBWHIDXAH-RYUDHWBXSA-N 2 0 214.353 1.391 20 0 BDADRP C[NH2+]CCC[NH2+][C@H]1CCC[C@H]1CCOC ZINC000423204566 387992160 /nfs/dbraw/zinc/99/21/60/387992160.db2.gz UTBBRTAPLYBEKE-RYUDHWBXSA-N 2 0 214.353 1.391 20 0 BDADRP CC[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccccc1 ZINC000423209493 387992985 /nfs/dbraw/zinc/99/29/85/387992985.db2.gz UXDLPCIJLNSNMQ-OAHLLOKOSA-N 2 0 247.386 1.633 20 0 BDADRP C[C@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423213592 387995032 /nfs/dbraw/zinc/99/50/32/387995032.db2.gz KAVDDINJOACRDF-CYDGBPFRSA-N 3 0 225.380 1.105 20 0 BDADRP C[C@@H]([NH2+]CC1(C)CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000400518997 387995453 /nfs/dbraw/zinc/99/54/53/387995453.db2.gz GWGLIBNUILZUST-NEPJUHHUSA-N 2 0 226.364 1.533 20 0 BDADRP Cc1cc([C@H](C)NC[C@H](O)C[NH+](C)C)cs1 ZINC000453090239 387982100 /nfs/dbraw/zinc/98/21/00/387982100.db2.gz BVRCVSYJJFUMHV-JQWIXIFHSA-N 2 0 242.388 1.630 20 0 BDADRP Cc1cc([C@@H](C)NC[C@H](O)C[NH+](C)C)cs1 ZINC000453090240 387982856 /nfs/dbraw/zinc/98/28/56/387982856.db2.gz BVRCVSYJJFUMHV-PWSUYJOCSA-N 2 0 242.388 1.630 20 0 BDADRP CNC(=O)C[C@H](C)[NH2+]CC1([NH3+])CCCCCC1 ZINC000423200516 387985781 /nfs/dbraw/zinc/98/57/81/387985781.db2.gz MHKJMTFCXNXSGR-NSHDSACASA-N 2 0 241.379 1.152 20 0 BDADRP C1C[C@@H]([NH2+][C@H]2CCC[C@H]([C@H]3CCOC3)C2)C[NH2+]1 ZINC000423214184 387997998 /nfs/dbraw/zinc/99/79/98/387997998.db2.gz MGHJNHAPLLYXMD-XDQVBPFNSA-N 2 0 238.375 1.533 20 0 BDADRP c1cnn(CC[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420405900 388000010 /nfs/dbraw/zinc/00/00/10/388000010.db2.gz UESZNRORZXTEIS-ZIAGYGMSSA-N 2 0 248.374 1.347 20 0 BDADRP COCC1CCC([NH2+]C[C@H]2CCC[NH2+]C2)CC1 ZINC000423216681 388000280 /nfs/dbraw/zinc/00/02/80/388000280.db2.gz SIYPXOCICBONMX-MOKVOYLWSA-N 2 0 240.391 1.781 20 0 BDADRP [NH3+][C@H](CN[C@H]1CCCCC[C@@H]1[NH3+])c1ccccc1 ZINC000423240271 388024296 /nfs/dbraw/zinc/02/42/96/388024296.db2.gz BZQYNUFNUGMWEQ-ZNMIVQPWSA-N 2 0 247.386 1.936 20 0 BDADRP C[C@@H](NC[C@@H]([NH3+])c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423241584 388024747 /nfs/dbraw/zinc/02/47/47/388024747.db2.gz DHXWAKYHQVPOKZ-BNOWGMLFSA-N 2 0 233.359 1.417 20 0 BDADRP [NH3+][C@H](CN[C@H]1CCCCC[C@H]1[NH3+])c1ccccc1 ZINC000423240268 388024921 /nfs/dbraw/zinc/02/49/21/388024921.db2.gz BZQYNUFNUGMWEQ-KFWWJZLASA-N 2 0 247.386 1.936 20 0 BDADRP CC[C@@H]([NH2+]CC[C@H](C)[NH3+])c1ccc(F)cn1 ZINC000423228314 388012762 /nfs/dbraw/zinc/01/27/62/388012762.db2.gz ZDDXNYHQDCPJEV-GXSJLCMTSA-N 2 0 225.311 1.999 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCS2)CC[N@@H+]1C ZINC000156634928 388013280 /nfs/dbraw/zinc/01/32/80/388013280.db2.gz UKZGSURRWGIAJM-WOPDTQHZSA-N 2 0 228.405 1.954 20 0 BDADRP C[NH+](C)[C@H]1CCC[C@@H]1Nc1ccnc(C2CC2)n1 ZINC000439658144 388013692 /nfs/dbraw/zinc/01/36/92/388013692.db2.gz KXLAKCCIQQSCNX-RYUDHWBXSA-N 2 0 246.358 1.671 20 0 BDADRP CC[NH2+]CCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423229362 388015359 /nfs/dbraw/zinc/01/53/59/388015359.db2.gz AZOKSELZJAAVRQ-CHWSQXEVSA-N 2 0 219.332 1.330 20 0 BDADRP C([NH2+][C@@H]1CC[C@H]1C1CCC1)[C@@H]1CCC[NH2+]1 ZINC000423229046 388015639 /nfs/dbraw/zinc/01/56/39/388015639.db2.gz ABYAYFUIPFACOS-RWMBFGLXSA-N 2 0 208.349 1.907 20 0 BDADRP C[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH2+]2)[C@@H]2CCC[C@H]21 ZINC000423229545 388015688 /nfs/dbraw/zinc/01/56/88/388015688.db2.gz BLDZYQWTPAHNLR-XDQVBPFNSA-N 2 0 237.391 1.201 20 0 BDADRP COCC1CCC([NH2+]C[C@H]2CCC[NH2+]2)CC1 ZINC000423232226 388017353 /nfs/dbraw/zinc/01/73/53/388017353.db2.gz HVQXUSVRTHXCII-WXRRBKDZSA-N 2 0 226.364 1.533 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@H]([NH3+])c1ccccc1 ZINC000423249334 388032119 /nfs/dbraw/zinc/03/21/19/388032119.db2.gz ORRZXNSMHJUKDK-SOUVJXGZSA-N 2 0 247.386 1.794 20 0 BDADRP CC(C)C[C@H](C[NH3+])NC1CC[NH+](C2CC2)CC1 ZINC000423259336 388038606 /nfs/dbraw/zinc/03/86/06/388038606.db2.gz DLUJRIKHGLTIDG-CYBMUJFWSA-N 2 0 239.407 1.576 20 0 BDADRP CCN1C[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000423262519 388040586 /nfs/dbraw/zinc/04/05/86/388040586.db2.gz VORMXFRQHWBEQH-MJBXVCDLSA-N 2 0 239.407 1.306 20 0 BDADRP CC(C)C[C@H](C[NH3+])N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000423264263 388041706 /nfs/dbraw/zinc/04/17/06/388041706.db2.gz PRTNANDUMCWNTP-BZPMIXESSA-N 2 0 239.407 1.432 20 0 BDADRP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)Cc1ccoc1 ZINC000423264217 388042948 /nfs/dbraw/zinc/04/29/48/388042948.db2.gz BTJYTUBRIIUMAR-JQWIXIFHSA-N 2 0 210.321 1.784 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423244982 388028376 /nfs/dbraw/zinc/02/83/76/388028376.db2.gz IGTDZHKWGXYCCX-SYQHCUMBSA-N 3 0 239.407 1.304 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCO2)[C@@H]2CCC[C@H]21 ZINC000453278692 388031463 /nfs/dbraw/zinc/03/14/63/388031463.db2.gz HZNYEXNYTPONCJ-ZOBORPQBSA-N 2 0 238.375 1.628 20 0 BDADRP C(C[NH2+][C@@H]1CCCOCC1)C[NH+]1CCCC1 ZINC000083424636 388052703 /nfs/dbraw/zinc/05/27/03/388052703.db2.gz UNVFMJOVBIHKLI-CYBMUJFWSA-N 2 0 226.364 1.631 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000423274696 388055615 /nfs/dbraw/zinc/05/56/15/388055615.db2.gz KUEURNKSHIPLRJ-YFKTTZPYSA-N 2 0 213.369 1.219 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)CCCOC ZINC000423275520 388056437 /nfs/dbraw/zinc/05/64/37/388056437.db2.gz NFHBUFRTCZGYOL-WDEREUQCSA-N 2 0 202.342 1.247 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000453380750 388065934 /nfs/dbraw/zinc/06/59/34/388065934.db2.gz RFFNKVPHQKLESH-IGQOVBAYSA-N 2 0 240.391 1.467 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)C[NH2+]C)C12CCC2 ZINC000423285039 388069269 /nfs/dbraw/zinc/06/92/69/388069269.db2.gz ZFADSKDUEDFEEO-JHJVBQTASA-N 2 0 240.391 1.779 20 0 BDADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ccncn1 ZINC000423285233 388069343 /nfs/dbraw/zinc/06/93/43/388069343.db2.gz YBCLJHNAQJGQOR-LOWVWBTDSA-N 2 0 234.347 1.645 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)[C@H]1CCOC1 ZINC000423284790 388069501 /nfs/dbraw/zinc/06/95/01/388069501.db2.gz YLFOZKPPSDNNPE-TUAOUCFPSA-N 2 0 214.353 1.374 20 0 BDADRP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](Cn1cccn1)C(C)C ZINC000423285927 388070461 /nfs/dbraw/zinc/07/04/61/388070461.db2.gz ZTXNTHMRRFCVMN-STQMWFEESA-N 2 0 238.379 1.481 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000453397111 388070900 /nfs/dbraw/zinc/07/09/00/388070900.db2.gz ZBQAVAXCPQCMDF-ZDEQEGDKSA-N 2 0 226.364 1.077 20 0 BDADRP COCC1CCC([NH2+]CC(C)(C)[NH3+])CC1 ZINC000423287319 388071175 /nfs/dbraw/zinc/07/11/75/388071175.db2.gz LLAXBJQFPIVFPX-UHFFFAOYSA-N 2 0 214.353 1.519 20 0 BDADRP CCC([NH3+])(CC)C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000423286851 388071257 /nfs/dbraw/zinc/07/12/57/388071257.db2.gz JCUHDZSZNOJJBW-MNOVXSKESA-N 2 0 214.353 1.661 20 0 BDADRP CCOC[C@H]1CCC[C@@H]1[NH2+]CC(C)(C)[NH3+] ZINC000423288826 388072959 /nfs/dbraw/zinc/07/29/59/388072959.db2.gz VGGRVOKBQRSJTF-MNOVXSKESA-N 2 0 214.353 1.519 20 0 BDADRP CCC([NH3+])(CC)CN[C@H]1C[N@H+](C)C[C@@H]1C ZINC000423288444 388073561 /nfs/dbraw/zinc/07/35/61/388073561.db2.gz SBSNGEIMLBPYAI-QWRGUYRKSA-N 2 0 213.369 1.044 20 0 BDADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC(C)(C)[NH3+])[C@H]1C ZINC000423287717 388073602 /nfs/dbraw/zinc/07/36/02/388073602.db2.gz NZTVBTHPKOKROI-GARJFASQSA-N 2 0 242.363 1.291 20 0 BDADRP C[C@H]([NH3+])c1ccc(CN[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000423289479 388074269 /nfs/dbraw/zinc/07/42/69/388074269.db2.gz BBOTUQGKDZQYGI-BPNCWPANSA-N 2 0 233.359 1.676 20 0 BDADRP CC(C)([NH3+])C[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000423290366 388074894 /nfs/dbraw/zinc/07/48/94/388074894.db2.gz ZUTBVIXYLPGECG-YNEHKIRRSA-N 2 0 240.391 1.909 20 0 BDADRP CCC([NH3+])(CC)CN[C@H]1CCCC[C@H]1C[NH3+] ZINC000423294589 388077315 /nfs/dbraw/zinc/07/73/15/388077315.db2.gz UXGTZVBWTQZYRM-RYUDHWBXSA-N 2 0 227.396 1.611 20 0 BDADRP CCC([NH3+])(CC)CN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423294992 388077370 /nfs/dbraw/zinc/07/73/70/388077370.db2.gz WAHANQZLFDRGOY-QWRGUYRKSA-N 2 0 213.369 1.234 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@H]1CC[NH2+]CC[C@@H]1C ZINC000423297117 388078826 /nfs/dbraw/zinc/07/88/26/388078826.db2.gz IURZOYSXJKVRRE-XQQFMLRXSA-N 2 0 227.396 1.482 20 0 BDADRP Cn1cnc2cc(C[NH2+]C3CC[NH2+]CC3)ccc21 ZINC000084556278 388078916 /nfs/dbraw/zinc/07/89/16/388078916.db2.gz HPWDKNVUNLPKCL-UHFFFAOYSA-N 2 0 244.342 1.415 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@H](C)[C@H]1CCC[NH2+]1 ZINC000423297757 388079461 /nfs/dbraw/zinc/07/94/61/388079461.db2.gz LTQRGNRWVHPCQS-IJLUTSLNSA-N 2 0 213.369 1.234 20 0 BDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000453430592 388081336 /nfs/dbraw/zinc/08/13/36/388081336.db2.gz RAIMPTGXIIWEFF-AGIUHOORSA-N 2 0 240.391 1.731 20 0 BDADRP Cn1cc(C[NH2+]CCCC[N@H+](C)C2CC2)cn1 ZINC000453604719 388091511 /nfs/dbraw/zinc/09/15/11/388091511.db2.gz RNKGPDDBULQVQO-UHFFFAOYSA-N 2 0 236.363 1.384 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)CCCC[NH3+])N(C)C1CC1 ZINC000336660495 388091592 /nfs/dbraw/zinc/09/15/92/388091592.db2.gz NNXSEBLIWIEMPG-NWDGAFQWSA-N 2 0 227.396 1.576 20 0 BDADRP Cc1ccccc1CC[NH2+][C@H]1CCCNC1 ZINC000086762853 388107422 /nfs/dbraw/zinc/10/74/22/388107422.db2.gz HACHFZGVGGCPJF-AWEZNQCLSA-N 2 0 218.344 1.879 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H](O)C1CCC1 ZINC000643493531 388109550 /nfs/dbraw/zinc/10/95/50/388109550.db2.gz VFAPUHXEJKPVCE-FRRDWIJNSA-N 2 0 226.364 1.397 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)[C@@H](C)O1 ZINC000423268312 388047105 /nfs/dbraw/zinc/04/71/05/388047105.db2.gz FYRVPZUTKRPNIO-NDBYEHHHSA-N 2 0 226.364 1.532 20 0 BDADRP C[NH2+]C[C@H](C)CN[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000423269133 388047416 /nfs/dbraw/zinc/04/74/16/388047416.db2.gz GREAMFRDGUILDQ-SDDRHHMPSA-N 2 0 225.380 1.057 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]1 ZINC000423272307 388050709 /nfs/dbraw/zinc/05/07/09/388050709.db2.gz JUOMCJIJPVSXPK-JHJVBQTASA-N 3 0 225.380 1.106 20 0 BDADRP C[C@@H]1CCSCC[N@@H+]1CC(C)(C)[NH3+] ZINC000261528208 135153312 /nfs/dbraw/zinc/15/33/12/135153312.db2.gz JZZCFGHGQBAFMH-SECBINFHSA-N 2 0 202.367 1.551 20 0 BDADRP CC[NH+]1CCN([C@H](C)C[NH2+]C[C@H]2C[C@H]2C)CC1 ZINC000488468696 388181069 /nfs/dbraw/zinc/18/10/69/388181069.db2.gz SMGQBFCMYKMWTM-MGPQQGTHSA-N 2 0 239.407 1.258 20 0 BDADRP CCC[NH2+]CCNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000449369965 388184516 /nfs/dbraw/zinc/18/45/16/388184516.db2.gz GROKYKKLSCNONH-RYUDHWBXSA-N 2 0 241.379 1.010 20 0 BDADRP CCC[NH2+][C@@H](C)C(=O)NC(CC)(CC)C[NH3+] ZINC000449117417 388144574 /nfs/dbraw/zinc/14/45/74/388144574.db2.gz UMRBHFVYSSNTST-JTQLQIEISA-N 2 0 229.368 1.008 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)NCC[N@H+](CC)CCC ZINC000449142050 388147656 /nfs/dbraw/zinc/14/76/56/388147656.db2.gz MWLPUMDHTXHIMC-GFCCVEGCSA-N 2 0 243.395 1.223 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000449680521 388251571 /nfs/dbraw/zinc/25/15/71/388251571.db2.gz BZSUCJGPLSCWLN-AAEUAGOBSA-N 2 0 241.379 1.152 20 0 BDADRP CCc1cc(N[C@@H]2CCC[N@H+](C)[C@H]2C)cc[nH+]1 ZINC000450437963 388256007 /nfs/dbraw/zinc/25/60/07/388256007.db2.gz LRWVUDYWTYHLBA-SMDDNHRTSA-N 2 0 233.359 1.961 20 0 BDADRP OCCCN1CCC[C@@H]1C[NH2+]C1CCCCC1 ZINC000449387873 388190697 /nfs/dbraw/zinc/19/06/97/388190697.db2.gz NGDJKFXTRLBYLT-CQSZACIVSA-N 2 0 240.391 1.756 20 0 BDADRP Cc1nccn1CCC[N@H+]1CC[C@H](CO)[C@@H]1C ZINC000488744832 388192855 /nfs/dbraw/zinc/19/28/55/388192855.db2.gz CUMMGRMFUYBPCT-WCQYABFASA-N 2 0 237.347 1.284 20 0 BDADRP C[C@@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[NH+](C)C ZINC000449558158 388231028 /nfs/dbraw/zinc/23/10/28/388231028.db2.gz WCDHLTYOIBGRKE-XQQFMLRXSA-N 2 0 225.380 1.153 20 0 BDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H](C)CCC[NH3+] ZINC000449574545 388237138 /nfs/dbraw/zinc/23/71/38/388237138.db2.gz XMZQBMHADMYVND-WDEREUQCSA-N 2 0 243.395 1.254 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+]C[C@H](C)C[NH+](C)C)CCO1 ZINC000491572110 388304518 /nfs/dbraw/zinc/30/45/18/388304518.db2.gz LDUGUTSJASVXIP-BFHYXJOUSA-N 2 0 242.407 1.979 20 0 BDADRP COc1cccc([C@@H](C)N[C@@H](C)C[NH3+])c1 ZINC000234870124 388362147 /nfs/dbraw/zinc/36/21/47/388362147.db2.gz DYKXDJFOQKTGHU-VHSXEESVSA-N 2 0 208.305 1.693 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCOC(C)(C)C)CC[N@@H+]1C ZINC000163719339 388366567 /nfs/dbraw/zinc/36/65/67/388366567.db2.gz HIAMMBXPBMBMSD-VXGBXAGGSA-N 2 0 228.380 1.874 20 0 BDADRP C[C@H](C[NH3+])NCc1cc(Br)cs1 ZINC000235454729 388369605 /nfs/dbraw/zinc/36/96/05/388369605.db2.gz SCBUZCANMJJVEG-ZCFIWIBFSA-N 2 0 249.177 1.947 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCOCC1CC1 ZINC000236213037 388378371 /nfs/dbraw/zinc/37/83/71/388378371.db2.gz GMWSAGRMXLCSMO-NEPJUHHUSA-N 2 0 212.337 1.130 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000236799186 388383558 /nfs/dbraw/zinc/38/35/58/388383558.db2.gz ATPLIFOTZCYCBF-RYUDHWBXSA-N 2 0 241.379 1.010 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000236791198 388383604 /nfs/dbraw/zinc/38/36/04/388383604.db2.gz WLGNETSVSNNZGD-LBPRGKRZSA-N 2 0 241.379 1.010 20 0 BDADRP CCCC[N@H+](C)C[C@@H](C)N[C@@H]1C[NH+](C)C[C@@H]1C ZINC000516605642 388386121 /nfs/dbraw/zinc/38/61/21/388386121.db2.gz OCQQGRMSXLJXLU-BFHYXJOUSA-N 2 0 241.423 1.647 20 0 BDADRP C[C@@H](NCc1ccc(C[NH3+])cc1)[C@@H]1CCC[NH2+]1 ZINC000520584254 256675987 /nfs/dbraw/zinc/67/59/87/256675987.db2.gz LIZGBFYLTVVBTR-RISCZKNCSA-N 2 0 233.359 1.375 20 0 BDADRP C[N@H+](CCOCC[NH3+])C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403226979 388402808 /nfs/dbraw/zinc/40/28/08/388402808.db2.gz XDXZIGVZCFBHKB-UPJWGTAASA-N 2 0 226.364 1.330 20 0 BDADRP Cc1cccnc1CC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000404876746 388439940 /nfs/dbraw/zinc/43/99/40/388439940.db2.gz PGMNULPFWGXHTK-OCCSQVGLSA-N 2 0 233.359 1.650 20 0 BDADRP CCCN1CCC[C@H]1C[NH2+][C@@H]1CCO[C@@H]1C ZINC000393796632 388443287 /nfs/dbraw/zinc/44/32/87/388443287.db2.gz PHZNSNASYPYCJU-FRRDWIJNSA-N 2 0 226.364 1.628 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](CCn2cccn2)C[C@@H]1C[NH3+] ZINC000397352821 388463214 /nfs/dbraw/zinc/46/32/14/388463214.db2.gz DCRHRIXNHKQUBQ-AGIUHOORSA-N 2 0 236.363 1.188 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@H](O)C2CCC2)CC1 ZINC000316578115 388418417 /nfs/dbraw/zinc/41/84/17/388418417.db2.gz MTGWYRKXDIWGAX-ZDUSSCGKSA-N 2 0 226.364 1.221 20 0 BDADRP CC(C)(CO)CCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000393428960 388429255 /nfs/dbraw/zinc/42/92/55/388429255.db2.gz RJMISIYQELZYAQ-NWDGAFQWSA-N 2 0 228.380 1.502 20 0 BDADRP CCO[C@@H]1C[C@H]1[NH2+][C@H](C)CCCC[NH3+] ZINC000514825145 256720248 /nfs/dbraw/zinc/72/02/48/256720248.db2.gz WFQMJZWUHSGUIT-GMTAPVOTSA-N 2 0 200.326 1.271 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H](CO)CC(C)(C)C ZINC000393458357 388430405 /nfs/dbraw/zinc/43/04/05/388430405.db2.gz IODJMWPZEUEINI-MNOVXSKESA-N 2 0 216.369 1.501 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000573220756 388433184 /nfs/dbraw/zinc/43/31/84/388433184.db2.gz LUEZOKOCZYDSBZ-NNYUYHANSA-N 2 0 214.353 1.253 20 0 BDADRP C[C@H](O)CC(C)(C)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000393633846 388436247 /nfs/dbraw/zinc/43/62/47/388436247.db2.gz LJBUGROSDCADHJ-AVGNSLFASA-N 2 0 242.407 1.891 20 0 BDADRP CC[C@](C)(C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)OC ZINC000322491557 388436417 /nfs/dbraw/zinc/43/64/17/388436417.db2.gz CFGBNIWWMXILIK-RWMBFGLXSA-N 2 0 228.380 1.874 20 0 BDADRP CCC[C@@H](O)C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000649287336 388543386 /nfs/dbraw/zinc/54/33/86/388543386.db2.gz SHCMWTYJARNSCJ-CHWSQXEVSA-N 2 0 237.347 1.681 20 0 BDADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@@H]1CC1(C)C ZINC000397594456 388482570 /nfs/dbraw/zinc/48/25/70/388482570.db2.gz COASDONWYIQMNK-NEPJUHHUSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@H](F)CC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000340463449 388491156 /nfs/dbraw/zinc/49/11/56/388491156.db2.gz QMYPWEVSDIGQRO-DCAQKATOSA-N 2 0 202.317 1.664 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000340490011 388491286 /nfs/dbraw/zinc/49/12/86/388491286.db2.gz TWAAIWXRGDHOLC-HZSPNIEDSA-N 2 0 238.375 1.628 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]C[C@]2(C)CCOC2)CC1 ZINC000341648498 388495285 /nfs/dbraw/zinc/49/52/85/388495285.db2.gz ZMAPEAYYWSIOGM-AWEZNQCLSA-N 2 0 240.391 1.875 20 0 BDADRP CCC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)COC1 ZINC000343634799 388502338 /nfs/dbraw/zinc/50/23/38/388502338.db2.gz VEGNQODASSVAHV-QWHCGFSZSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@@H]([NH3+])CC(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000646789385 388504987 /nfs/dbraw/zinc/50/49/87/388504987.db2.gz DUJSAAIJQNGRDU-RKDXNWHRSA-N 2 0 221.304 1.382 20 0 BDADRP COC[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)C1CC1 ZINC000398060975 388516642 /nfs/dbraw/zinc/51/66/42/388516642.db2.gz BGYOKOJSCDEDHZ-GFCCVEGCSA-N 2 0 226.364 1.391 20 0 BDADRP CC(C)([NH3+])CN1CCC([NH+]2CCCC2)CC1 ZINC000346825801 388520428 /nfs/dbraw/zinc/52/04/28/388520428.db2.gz LNHGENGOBNIRSD-UHFFFAOYSA-N 2 0 225.380 1.284 20 0 BDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)C1CC1 ZINC000186601376 388601271 /nfs/dbraw/zinc/60/12/71/388601271.db2.gz UQGYMTQYYXXBKQ-OLZOCXBDSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)C1CC1 ZINC000186601391 388601379 /nfs/dbraw/zinc/60/13/79/388601379.db2.gz UQGYMTQYYXXBKQ-QWHCGFSZSA-N 2 0 239.407 1.401 20 0 BDADRP CCC(CC)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000186601075 388601674 /nfs/dbraw/zinc/60/16/74/388601674.db2.gz OENPPCMXGCOWPE-CYBMUJFWSA-N 2 0 241.423 1.791 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC000356874440 388551326 /nfs/dbraw/zinc/55/13/26/388551326.db2.gz QEXZBRIMFJWCSP-OCCSQVGLSA-N 2 0 240.391 1.733 20 0 BDADRP Cc1cnccc1CC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000358248877 388554804 /nfs/dbraw/zinc/55/48/04/388554804.db2.gz IHSABZUOUVPOPD-UKRRQHHQSA-N 2 0 247.386 1.862 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)[C@@H]2CCCCC[NH2+]2)cc1 ZINC000517539696 256827103 /nfs/dbraw/zinc/82/71/03/256827103.db2.gz WPXXLRGHFVPECZ-ZDUSSCGKSA-N 2 0 247.342 1.616 20 0 BDADRP CC[NH+]1CCC(N[C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000252714351 388574682 /nfs/dbraw/zinc/57/46/82/388574682.db2.gz RTSHKKDBNHYXKO-TZMCWYRMSA-N 2 0 239.407 1.401 20 0 BDADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCCO)C1 ZINC000081572814 388584257 /nfs/dbraw/zinc/58/42/57/388584257.db2.gz WEVHZMRQAAKIKG-LBPRGKRZSA-N 2 0 214.353 1.033 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H](O)C2)CC[N@@H+]1C ZINC000247981302 388671750 /nfs/dbraw/zinc/67/17/50/388671750.db2.gz IJRAFNAJZQNJDI-XJFOESAGSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000530218174 388629963 /nfs/dbraw/zinc/62/99/63/388629963.db2.gz IAGCCCUMSMEUFG-UPJWGTAASA-N 2 0 237.391 1.201 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)[C@@H]1CCOC1 ZINC000530223527 388634005 /nfs/dbraw/zinc/63/40/05/388634005.db2.gz SQUOGZFMKWBKKA-TUAOUCFPSA-N 2 0 224.348 1.286 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](CC[C@@H]2CCCO2)C1 ZINC000189508426 388636065 /nfs/dbraw/zinc/63/60/65/388636065.db2.gz VBVHIQYDJUAVFV-KGLIPLIRSA-N 2 0 240.391 1.829 20 0 BDADRP C(C[C@@H]1CCOC1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530243891 388638908 /nfs/dbraw/zinc/63/89/08/388638908.db2.gz INLBGGJAFYCSKN-NEPJUHHUSA-N 2 0 224.348 1.287 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(C2CC2)C1 ZINC000251289302 388643120 /nfs/dbraw/zinc/64/31/20/388643120.db2.gz NMLNSYMOHIXTPH-SGMGOOAPSA-N 2 0 237.391 1.330 20 0 BDADRP COC[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)C(C)C ZINC000223031594 388646944 /nfs/dbraw/zinc/64/69/44/388646944.db2.gz JKKJLQBGOXCGQW-WOPDTQHZSA-N 2 0 214.353 1.517 20 0 BDADRP CC[C@H]1COCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000251641616 388647804 /nfs/dbraw/zinc/64/78/04/388647804.db2.gz FZLHEQWEBGRSAA-NEPJUHHUSA-N 2 0 212.337 1.097 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2CCOC2)C1 ZINC000246831557 388652847 /nfs/dbraw/zinc/65/28/47/388652847.db2.gz BREAZFHGKSCXPY-JHJVBQTASA-N 2 0 226.364 1.343 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)CCCO)[C@H](C)C1 ZINC000246944882 388655385 /nfs/dbraw/zinc/65/53/85/388655385.db2.gz HCNHUGKKHGTDTL-UPJWGTAASA-N 2 0 228.380 1.467 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)OC)[C@@H](C)C1 ZINC000246985087 388656510 /nfs/dbraw/zinc/65/65/10/388656510.db2.gz JUFHUZQYTQMTHF-RYUDHWBXSA-N 2 0 242.363 1.212 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CCCO2)[C@@H](C)C1 ZINC000247144061 388659574 /nfs/dbraw/zinc/65/95/74/388659574.db2.gz RBHQNCPZKRRJDY-IHRRRGAJSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H](CCO)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000224330347 388662586 /nfs/dbraw/zinc/66/25/86/388662586.db2.gz GPBHNMJSLRAQOT-WOPDTQHZSA-N 2 0 214.353 1.077 20 0 BDADRP COC1(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)CCC1 ZINC000227493202 388752182 /nfs/dbraw/zinc/75/21/82/388752182.db2.gz DRMIWBRHKDNQHF-RWMBFGLXSA-N 2 0 240.391 1.874 20 0 BDADRP CO[C@@H]1C[N@H+](CC[C@H]2CCC[NH+]2C)CC[C@H]1C ZINC000251795824 388754185 /nfs/dbraw/zinc/75/41/85/388754185.db2.gz MBPUVDPJNCNBIO-MGPQQGTHSA-N 2 0 240.391 1.828 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCc2cccnc2)C1 ZINC000086403254 388687475 /nfs/dbraw/zinc/68/74/75/388687475.db2.gz JUEFAQSFQTXMDC-CHWSQXEVSA-N 2 0 219.332 1.484 20 0 BDADRP CC[NH2+]Cc1ccccc1NC(=O)CC[C@H](C)[NH3+] ZINC000193170107 388694161 /nfs/dbraw/zinc/69/41/61/388694161.db2.gz KFWJNUGXOKNOCB-NSHDSACASA-N 2 0 249.358 1.862 20 0 BDADRP CO[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000248988743 388703708 /nfs/dbraw/zinc/70/37/08/388703708.db2.gz FMKXEJQQRWZMNJ-XDQVBPFNSA-N 2 0 238.375 1.770 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)OC)[C@@H](C)C1 ZINC000249088223 388707908 /nfs/dbraw/zinc/70/79/08/388707908.db2.gz MVYMPXPVNGPWEO-TUAOUCFPSA-N 2 0 214.353 1.341 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCOC[C@H]2C)C1 ZINC000249114648 388709631 /nfs/dbraw/zinc/70/96/31/388709631.db2.gz RULXVBHCVZSNAI-UPJWGTAASA-N 2 0 226.364 1.343 20 0 BDADRP COC[C@@H](C)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226326932 388716263 /nfs/dbraw/zinc/71/62/63/388716263.db2.gz NTCGGVFHTUSYOR-MNOVXSKESA-N 2 0 200.326 1.082 20 0 BDADRP CC[C@](C)(O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000249387308 388719821 /nfs/dbraw/zinc/71/98/21/388719821.db2.gz QEDCZNFWWCYMOQ-RYUDHWBXSA-N 2 0 214.353 1.031 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1CCN1CCC[NH+](C)CC1 ZINC000552558425 388725074 /nfs/dbraw/zinc/72/50/74/388725074.db2.gz BKCIYVFFUUPVBO-CQSZACIVSA-N 2 0 239.407 1.498 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCc2cnn(C)c2)CC[N@@H+]1C ZINC000127792816 388731941 /nfs/dbraw/zinc/73/19/41/388731941.db2.gz OIWAWCLOGOXAST-AAEUAGOBSA-N 2 0 236.363 1.035 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H]2CCOC2)C1 ZINC000252937909 388793399 /nfs/dbraw/zinc/79/33/99/388793399.db2.gz HFMARUPKSYSHEC-MJBXVCDLSA-N 2 0 240.391 1.731 20 0 BDADRP C[NH+]1CCC(CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000229935980 388805253 /nfs/dbraw/zinc/80/52/53/388805253.db2.gz RRGDXJZHSPBHLQ-KBPBESRZSA-N 3 0 239.407 1.578 20 0 BDADRP C[NH+](C)CCOCC[NH2+]Cc1cccs1 ZINC000230004818 388810265 /nfs/dbraw/zinc/81/02/65/388810265.db2.gz VDEHASWRGGYFDC-UHFFFAOYSA-N 2 0 228.361 1.416 20 0 BDADRP CC[NH+]1CCC([NH2+]CC2(SC)CC2)CC1 ZINC000228020564 388765570 /nfs/dbraw/zinc/76/55/70/388765570.db2.gz QIWWYMLLXTYEIW-UHFFFAOYSA-N 2 0 228.405 1.956 20 0 BDADRP CSCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252674016 388770502 /nfs/dbraw/zinc/77/05/02/388770502.db2.gz NSCSCYWATGKUSD-RYUDHWBXSA-N 2 0 228.405 1.956 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1ccco1 ZINC000252713892 388775307 /nfs/dbraw/zinc/77/53/07/388775307.db2.gz QLHHBHRJUQJNRZ-DGCLKSJQSA-N 2 0 222.332 1.752 20 0 BDADRP CC(C)OCCC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000129644249 388859641 /nfs/dbraw/zinc/85/96/41/388859641.db2.gz GJGFFLYMULFCIK-STQMWFEESA-N 2 0 228.380 1.874 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)CCO1 ZINC000069890420 388870357 /nfs/dbraw/zinc/87/03/57/388870357.db2.gz NOVIOXLJPNQALI-AGIUHOORSA-N 2 0 226.364 1.485 20 0 BDADRP CN(C[C@H]1CCC2(CCCC2)O1)[C@H]1CC[NH2+]C1 ZINC000300002767 388848182 /nfs/dbraw/zinc/84/81/82/388848182.db2.gz RRKZXXGZXBUXCW-QWHCGFSZSA-N 2 0 238.375 1.772 20 0 BDADRP CC(C)[NH2+]CCCNC(=O)C1(C[NH3+])CCCC1 ZINC000564941416 388899628 /nfs/dbraw/zinc/89/96/28/388899628.db2.gz ULBDDBCYYXTOSW-UHFFFAOYSA-N 2 0 241.379 1.010 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000564989692 388905070 /nfs/dbraw/zinc/90/50/70/388905070.db2.gz XJPXFIZENBMYTF-RISCZKNCSA-N 2 0 234.343 1.660 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](C)COC)C1 ZINC000153360833 388967292 /nfs/dbraw/zinc/96/72/92/388967292.db2.gz WYHFLRGKIWMARJ-NEPJUHHUSA-N 2 0 214.353 1.200 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@H](C)CCc1ccco1 ZINC000565945501 388980628 /nfs/dbraw/zinc/98/06/28/388980628.db2.gz NMPISQNLJQTVQW-GHMZBOCLSA-N 2 0 210.321 1.928 20 0 BDADRP C[NH2+]CC1CCN(c2cc[nH+]c(C)c2)CC1 ZINC000114585589 132268800 /nfs/dbraw/zinc/26/88/00/132268800.db2.gz ZBKBVCCYYXTZNC-UHFFFAOYSA-N 2 0 219.332 1.826 20 0 BDADRP C([NH2+][C@@H]1CCC[NH2+]CC1)C1(C2CC2)CC1 ZINC000232450631 533368235 /nfs/dbraw/zinc/36/82/35/533368235.db2.gz NMGQLQGCHUJOGP-GFCCVEGCSA-N 2 0 208.349 1.908 20 0 BDADRP C([C@H]1CCSC1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257739682 533377657 /nfs/dbraw/zinc/37/76/57/533377657.db2.gz YQQCCEWKYYBERD-CHWSQXEVSA-N 2 0 240.416 1.815 20 0 BDADRP C[C@@H]([NH2+]CCCn1cccn1)[C@H]1CCC[NH2+]1 ZINC000400507693 533392493 /nfs/dbraw/zinc/39/24/93/533392493.db2.gz ICJKDDYCTUVTJM-VXGBXAGGSA-N 2 0 222.336 1.003 20 0 BDADRP C[C@@H]([NH2+]C[C@@H](C)C[C@H](C)O)[C@H]1CCC[NH2+]1 ZINC000400464439 533408878 /nfs/dbraw/zinc/40/88/78/533408878.db2.gz VQFJWXLPVWJUJJ-NNYUYHANSA-N 2 0 214.353 1.124 20 0 BDADRP Cc1cc(N2CC[NH+](CC(C)(C)O)CC2)cc[nH+]1 ZINC000163001671 132234201 /nfs/dbraw/zinc/23/42/01/132234201.db2.gz QDTHCDUFPBXPBD-UHFFFAOYSA-N 2 0 249.358 1.283 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]CCCC[NH3+])C12CCC2 ZINC000083684783 133529516 /nfs/dbraw/zinc/52/95/16/133529516.db2.gz UINHGMPYZZBURZ-VXGBXAGGSA-N 2 0 226.364 1.663 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCCCN1C[C@@H]1CCC[NH2+]C1 ZINC000347116834 133804575 /nfs/dbraw/zinc/80/45/75/133804575.db2.gz WMGJWOFIUOHSFC-XQQFMLRXSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@H]1CN(CC[C@@H]2CCC[NH+]2C)[C@@H](C)C[N@@H+]1C ZINC000351925672 134007395 /nfs/dbraw/zinc/00/73/95/134007395.db2.gz FHQYIAVJIWIBDQ-RDBSUJKOSA-N 2 0 239.407 1.495 20 0 BDADRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C2CCC(O)CC2)C1 ZINC000335942953 134018283 /nfs/dbraw/zinc/01/82/83/134018283.db2.gz UQJHZRCLMFYFMM-DKNRTOFZSA-N 2 0 240.391 1.752 20 0 BDADRP CCc1noc(C)c1CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000336022275 134055847 /nfs/dbraw/zinc/05/58/47/134055847.db2.gz JYIJRXUYCVDQQZ-VXGBXAGGSA-N 2 0 249.358 1.587 20 0 BDADRP Cc1n[nH]c(C)c1CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000336022434 134056097 /nfs/dbraw/zinc/05/60/97/134056097.db2.gz ULTLBGJDGDDVJJ-VXGBXAGGSA-N 2 0 234.347 1.068 20 0 BDADRP c1c[nH]c([C@@H]2CCCC[N@H+]2CC2CC[NH2+]CC2)n1 ZINC000336056533 134066755 /nfs/dbraw/zinc/06/67/55/134066755.db2.gz UXJBJQKTWHJDRU-ZDUSSCGKSA-N 2 0 248.374 1.936 20 0 BDADRP CC(C)[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000336158637 134106625 /nfs/dbraw/zinc/10/66/25/134106625.db2.gz IHTCSNPKXRIEML-KBPBESRZSA-N 2 0 240.391 1.421 20 0 BDADRP CC[N@H+](CCN[C@H]1CCC[NH2+]CC1)C1CC1 ZINC000217415707 134247111 /nfs/dbraw/zinc/24/71/11/134247111.db2.gz BNPHKHRKYREHFA-LBPRGKRZSA-N 2 0 225.380 1.202 20 0 BDADRP C[C@H]1CCC[C@@H](C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000085282117 134274824 /nfs/dbraw/zinc/27/48/24/134274824.db2.gz USOUBFKDIALJKA-RFQIPJPRSA-N 2 0 222.376 1.964 20 0 BDADRP CC(C)C[C@H](C)[NH2+]CCOCC[NH+](C)C ZINC000219316504 134281500 /nfs/dbraw/zinc/28/15/00/134281500.db2.gz ZOPQSNFSXMMOAI-LBPRGKRZSA-N 2 0 216.369 1.589 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@H]2CCCC[NH2+]2)cc1 ZINC000178188728 134304532 /nfs/dbraw/zinc/30/45/32/134304532.db2.gz QHDVBNCFAPSIGJ-ZWNOBZJWSA-N 2 0 247.342 1.787 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C2CC[NH2+]CC2)cc1 ZINC000178411280 134309941 /nfs/dbraw/zinc/30/99/41/134309941.db2.gz DDBDSPQMRXAWQL-SNVBAGLBSA-N 2 0 247.342 1.644 20 0 BDADRP C[C@H]1CCC[NH+]1CCOCC[N@H+]1CCC[C@@H]1C ZINC000178724446 134310624 /nfs/dbraw/zinc/31/06/24/134310624.db2.gz WCOXGXSWBAPZRY-KBPBESRZSA-N 2 0 240.391 1.972 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](CC2CC[NH2+]CC2)C1 ZINC000178982228 134313996 /nfs/dbraw/zinc/31/39/96/134313996.db2.gz ZSQJRAWLMDALAN-AWEZNQCLSA-N 3 0 239.407 1.260 20 0 BDADRP COC[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000178972759 134314011 /nfs/dbraw/zinc/31/40/11/134314011.db2.gz MGNHTAIIFIKDKM-CYBMUJFWSA-N 2 0 226.364 1.344 20 0 BDADRP c1n[nH]cc1[C@@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000178981474 134314068 /nfs/dbraw/zinc/31/40/68/134314068.db2.gz IGDAOGJOSUUXPI-AWEZNQCLSA-N 2 0 248.374 1.936 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCO)[C@@H](C)C1 ZINC000223754644 134339257 /nfs/dbraw/zinc/33/92/57/134339257.db2.gz AXHAZJCMCNBXRN-SRVKXCTJSA-N 2 0 214.353 1.077 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CCC[C@@H]([NH+](C)C)C1 ZINC000227653200 134389594 /nfs/dbraw/zinc/38/95/94/134389594.db2.gz FPFKTGCSUFXKEK-QWHCGFSZSA-N 2 0 227.396 1.386 20 0 BDADRP C[C@H](c1cccc(O)c1)[N@H+](C)CCC[NH3+] ZINC000227744555 134391999 /nfs/dbraw/zinc/39/19/99/134391999.db2.gz QQKMIRZSHGSKEE-SNVBAGLBSA-N 2 0 208.305 1.734 20 0 BDADRP CCN(CCC[NH+](CC)CC)C(=O)C1([NH3+])CC1 ZINC000230713165 134533947 /nfs/dbraw/zinc/53/39/47/134533947.db2.gz FBEWENMCBZZHNF-UHFFFAOYSA-N 2 0 241.379 1.058 20 0 BDADRP CC[C@@H](COC)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000070656800 135007899 /nfs/dbraw/zinc/00/78/99/135007899.db2.gz YOZXIHJQUCYXSM-STQMWFEESA-N 2 0 228.380 1.733 20 0 BDADRP CO[C@@H](C)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000248450020 135010276 /nfs/dbraw/zinc/01/02/76/135010276.db2.gz XVOSWJNALVZZBV-STQMWFEESA-N 2 0 226.364 1.439 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000248841427 135022817 /nfs/dbraw/zinc/02/28/17/135022817.db2.gz NZQAICPEASKCPZ-LOWDOPEQSA-N 2 0 226.364 1.626 20 0 BDADRP CO[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000249055879 135030897 /nfs/dbraw/zinc/03/08/97/135030897.db2.gz YQAAZWZEBVJQNX-APYLGABCSA-N 2 0 238.375 1.769 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cnn(C)c2)C1 ZINC000250111003 135049449 /nfs/dbraw/zinc/04/94/49/135049449.db2.gz KWFUEKYMXSIHIN-VXGBXAGGSA-N 2 0 236.363 1.413 20 0 BDADRP c1cnn(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000250159141 135050699 /nfs/dbraw/zinc/05/06/99/135050699.db2.gz GDALCKUHQHPTJD-OLZOCXBDSA-N 2 0 234.347 1.100 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCSC2)C1 ZINC000250229512 135050775 /nfs/dbraw/zinc/05/07/75/135050775.db2.gz FYNYSHHEZMSPSP-QWRGUYRKSA-N 2 0 214.378 1.423 20 0 BDADRP c1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c[nH]1 ZINC000250789448 135058973 /nfs/dbraw/zinc/05/89/73/135058973.db2.gz POERNKBEYIUTOD-STQMWFEESA-N 2 0 219.332 1.731 20 0 BDADRP CC(C)C[C@H](CN[C@H]1CCC[C@H]1C[NH3+])[NH+](C)C ZINC000251413593 135068658 /nfs/dbraw/zinc/06/86/58/135068658.db2.gz OJQAHQHCXQZMPK-MJBXVCDLSA-N 2 0 241.423 1.680 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)O1 ZINC000251762382 135076139 /nfs/dbraw/zinc/07/61/39/135076139.db2.gz KGRROGCMFNPWFZ-XJFOESAGSA-N 2 0 238.375 1.770 20 0 BDADRP C[C@@H]1C[C@H](C)C[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000251736848 135076606 /nfs/dbraw/zinc/07/66/06/135076606.db2.gz CPUNHUFRAFTJEP-FRRDWIJNSA-N 2 0 210.365 1.964 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CCCO1 ZINC000251942351 135081461 /nfs/dbraw/zinc/08/14/61/135081461.db2.gz ZSCGDHLMPDFEAZ-VXGBXAGGSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CCCO1 ZINC000086402503 135083010 /nfs/dbraw/zinc/08/30/10/135083010.db2.gz BLMIOZZFVRKGHY-NNYUYHANSA-N 2 0 212.337 1.413 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000086435882 135084073 /nfs/dbraw/zinc/08/40/73/135084073.db2.gz FYNNBBDYPQHRAH-VXGBXAGGSA-N 2 0 212.337 1.226 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000086435888 135084101 /nfs/dbraw/zinc/08/41/01/135084101.db2.gz LHGKOMWKWQKSLJ-VIFPVBQESA-N 2 0 240.269 1.236 20 0 BDADRP CCC1(C)CC[NH+](CCOCC[NH3+])CC1 ZINC000086435725 135084109 /nfs/dbraw/zinc/08/41/09/135084109.db2.gz BPYOGTLTNWUBLV-UHFFFAOYSA-N 2 0 214.353 1.474 20 0 BDADRP CC[N@H+](CCOCC[NH3+])Cc1cccs1 ZINC000086435493 135084664 /nfs/dbraw/zinc/08/46/64/135084664.db2.gz JEXPSNPPJWQMSG-UHFFFAOYSA-N 2 0 228.361 1.545 20 0 BDADRP C[C@@H](CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)[NH+](C)C ZINC000252458295 135089976 /nfs/dbraw/zinc/08/99/76/135089976.db2.gz XMVYJXFRDBCHPA-FVCCEPFGSA-N 2 0 227.396 1.255 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCOC1 ZINC000252450137 135089994 /nfs/dbraw/zinc/08/99/94/135089994.db2.gz DLVHGFPLVJLPRA-LPWJVIDDSA-N 2 0 226.364 1.341 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000252712383 135100127 /nfs/dbraw/zinc/10/01/27/135100127.db2.gz MHTDNIYVGZITHB-RFGFWPKPSA-N 3 0 239.407 1.399 20 0 BDADRP COC[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252716199 135101688 /nfs/dbraw/zinc/10/16/88/135101688.db2.gz XWVWYXCDNRVOEB-IJLUTSLNSA-N 2 0 214.353 1.199 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@H]2CCCOC2)C1 ZINC000252770672 135108935 /nfs/dbraw/zinc/10/89/35/135108935.db2.gz IBKCHMYWLIVBQT-QJPTWQEYSA-N 2 0 212.337 1.082 20 0 BDADRP COCC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252876683 135115548 /nfs/dbraw/zinc/11/55/48/135115548.db2.gz WHVLSIFCVYFHJM-CYDGBPFRSA-N 2 0 226.364 1.471 20 0 BDADRP CCSCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252911227 135116285 /nfs/dbraw/zinc/11/62/85/135116285.db2.gz GMZFJCFKEPLYBU-NEPJUHHUSA-N 2 0 228.405 1.956 20 0 BDADRP Cc1cc(N2C[C@H](C)[NH2+]C[C@H]2C)cc[nH+]1 ZINC000252938832 135117647 /nfs/dbraw/zinc/11/76/47/135117647.db2.gz HTZSQZYTHRCBGV-WDEREUQCSA-N 2 0 205.305 1.577 20 0 BDADRP CC[C@H](CCO)[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000253018404 135119177 /nfs/dbraw/zinc/11/91/77/135119177.db2.gz IMPKYDGEUWTFCP-AAVRWANBSA-N 2 0 240.391 1.658 20 0 BDADRP Cc1ccsc1C[NH2+]C[C@H]1CC[NH2+]C1 ZINC000087309886 135122737 /nfs/dbraw/zinc/12/27/37/135122737.db2.gz OISSMFQPISQJQJ-JTQLQIEISA-N 2 0 210.346 1.756 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCOC(F)(F)F ZINC000253336048 135126358 /nfs/dbraw/zinc/12/63/58/135126358.db2.gz YDXQNUHJVIDENL-RKDXNWHRSA-N 2 0 240.269 1.453 20 0 BDADRP Cc1[nH+]ccc(N2CCC[C@@H]2C[NH3+])c1Cl ZINC000261529041 135155333 /nfs/dbraw/zinc/15/53/33/135155333.db2.gz ADVKYQSPFFCVKM-SECBINFHSA-N 2 0 225.723 1.971 20 0 BDADRP CO[C@H](C)C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000261533403 135165015 /nfs/dbraw/zinc/16/50/15/135165015.db2.gz IAHRMIUQCXLUEJ-YNEHKIRRSA-N 2 0 228.380 1.922 20 0 BDADRP COCC[N@H+](C[C@H]1CC[NH2+][C@H](C)C1)C1CC1 ZINC000261533956 135166050 /nfs/dbraw/zinc/16/60/50/135166050.db2.gz MBAKWNSZSLGKAI-NEPJUHHUSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@]1(C[NH3+])CC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000261537409 135173746 /nfs/dbraw/zinc/17/37/46/135173746.db2.gz VMNIITUBYNURSD-RYUDHWBXSA-N 2 0 212.337 1.084 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)C1(C)C ZINC000261539685 135178692 /nfs/dbraw/zinc/17/86/92/135178692.db2.gz AYZMRVANWWFAPP-JHJVBQTASA-N 2 0 240.391 1.779 20 0 BDADRP COC(=O)C(C)(C)C[NH2+][C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000261540966 135179947 /nfs/dbraw/zinc/17/99/47/135179947.db2.gz ASKKACRIPZFZER-WDEREUQCSA-N 2 0 242.363 1.306 20 0 BDADRP C[C@@H]1C[C@@H](CN2CC[N@@H+]3CCC[C@H]3C2)CC[NH2+]1 ZINC000261540667 135180475 /nfs/dbraw/zinc/18/04/75/135180475.db2.gz GZPYEVHOCPTPKL-RDBSUJKOSA-N 2 0 237.391 1.155 20 0 BDADRP CO[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CC[C@H]1C ZINC000261541019 135181216 /nfs/dbraw/zinc/18/12/16/135181216.db2.gz IPJYECXBWVABDI-HZSPNIEDSA-N 2 0 240.391 1.733 20 0 BDADRP CN(C[C@H]1CCC[NH2+]C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000261542497 135183118 /nfs/dbraw/zinc/18/31/18/135183118.db2.gz OVOSWJOJOOLFKC-JSGCOSHPSA-N 2 0 237.391 1.155 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2C[C@H](C)OC(C)(C)C2)CC[NH2+]1 ZINC000261542872 135183344 /nfs/dbraw/zinc/18/33/44/135183344.db2.gz QZMPJHMGKKFISC-AGIUHOORSA-N 2 0 240.391 1.874 20 0 BDADRP Cc1cccnc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261549002 135187926 /nfs/dbraw/zinc/18/79/26/135187926.db2.gz KCUWBASWOZJFDN-RWMBFGLXSA-N 2 0 231.343 1.559 20 0 BDADRP Cc1cccnc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261549006 135187943 /nfs/dbraw/zinc/18/79/43/135187943.db2.gz KCUWBASWOZJFDN-YNEHKIRRSA-N 2 0 231.343 1.559 20 0 BDADRP COc1cccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000261550311 135188928 /nfs/dbraw/zinc/18/89/28/135188928.db2.gz LFBJQLYJVKDFGW-SMDDNHRTSA-N 2 0 234.343 1.783 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCOCC2CC2)C1 ZINC000261551039 135190103 /nfs/dbraw/zinc/19/01/03/135190103.db2.gz PZWIUMPATRHCCO-CMPLNLGQSA-N 2 0 212.337 1.082 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1NCC[NH+]1CCCC1 ZINC000084215693 135192118 /nfs/dbraw/zinc/19/21/18/135192118.db2.gz MWZIATKQBGNOIL-QWHCGFSZSA-N 2 0 225.380 1.189 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000084216689 135192502 /nfs/dbraw/zinc/19/25/02/135192502.db2.gz CVURJXWSTSIQKH-IKWCTNDRSA-N 3 0 225.380 1.363 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000084216511 135192515 /nfs/dbraw/zinc/19/25/15/135192515.db2.gz FQKLHZGOCVIWSP-AVGNSLFASA-N 2 0 226.364 1.663 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CC1CCOCC1 ZINC000084216863 135193069 /nfs/dbraw/zinc/19/30/69/135193069.db2.gz XLHLPRFAKBDXPV-OLZOCXBDSA-N 2 0 226.364 1.520 20 0 BDADRP C[NH2+]CCC1CC[NH+](C[C@@H]2C[C@@H]2C)CC1 ZINC000261554813 135194173 /nfs/dbraw/zinc/19/41/73/135194173.db2.gz UQQXZKDVOBXCGQ-AAEUAGOBSA-N 2 0 210.365 1.964 20 0 BDADRP C[C@@H]1[C@H](C)OCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261555165 135195324 /nfs/dbraw/zinc/19/53/24/135195324.db2.gz UUNYVOUYWKTEFQ-MNOVXSKESA-N 2 0 212.337 1.095 20 0 BDADRP CCOC[C@@H]1CCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000261556893 135196887 /nfs/dbraw/zinc/19/68/87/135196887.db2.gz WNPNUMKJGCIHBG-LLVKDONJSA-N 2 0 214.353 1.472 20 0 BDADRP C[C@]1(C[N@@H+]2CC[C@H]3CCC[C@@H]32)CC[NH2+]C1 ZINC000261559019 135199487 /nfs/dbraw/zinc/19/94/87/135199487.db2.gz YUENVNYQGOSCKI-AGIUHOORSA-N 2 0 208.349 1.860 20 0 BDADRP Cc1cccnc1CN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261563698 135204884 /nfs/dbraw/zinc/20/48/84/135204884.db2.gz XDSFVNQAFHQHOB-STQMWFEESA-N 2 0 231.343 1.431 20 0 BDADRP COc1cccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000261563981 135206105 /nfs/dbraw/zinc/20/61/05/135206105.db2.gz HDYDETJVXIPETM-AEGPPILISA-N 2 0 246.354 1.864 20 0 BDADRP Cc1nc(C)c(C[NH2+][C@H]2CCC[C@H]2C[NH3+])s1 ZINC000261566985 135208377 /nfs/dbraw/zinc/20/83/77/135208377.db2.gz DTETUVSVRXVWPQ-QWRGUYRKSA-N 2 0 239.388 1.977 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCOCC1 ZINC000261568431 135210130 /nfs/dbraw/zinc/21/01/30/135210130.db2.gz FPHHKUPJVOQIHW-YNEHKIRRSA-N 2 0 226.364 1.663 20 0 BDADRP C[C@@H]([NH3+])C[N@H+](C[C@H](C)O)C1CCCCC1 ZINC000261580066 135220985 /nfs/dbraw/zinc/22/09/85/135220985.db2.gz MQHNJQGFDBSRBT-MNOVXSKESA-N 2 0 214.353 1.349 20 0 BDADRP CC(C)COCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261581744 135222081 /nfs/dbraw/zinc/22/20/81/135222081.db2.gz NWCJIWQYEZSGSL-CHWSQXEVSA-N 2 0 226.364 1.200 20 0 BDADRP Cc1ncsc1CC[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261581742 135222255 /nfs/dbraw/zinc/22/22/55/135222255.db2.gz NVWAKPAMQSUYLC-LBPRGKRZSA-N 2 0 239.388 1.665 20 0 BDADRP COCC(C)(C)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000261583062 135224016 /nfs/dbraw/zinc/22/40/16/135224016.db2.gz OUYUDVFIAVSSJR-NWDGAFQWSA-N 2 0 228.380 1.766 20 0 BDADRP COCc1cccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)c1 ZINC000261589239 135230345 /nfs/dbraw/zinc/23/03/45/135230345.db2.gz WDVOPRBXYWBQKU-IUODEOHRSA-N 2 0 248.370 1.921 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC[C@H]1CCCO1 ZINC000261593581 135234097 /nfs/dbraw/zinc/23/40/97/135234097.db2.gz WYHCBKHEUUYBEP-NEPJUHHUSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCOCC1CC1 ZINC000261595424 135234784 /nfs/dbraw/zinc/23/47/84/135234784.db2.gz YCIYMDXTJMQHDA-JQWIXIFHSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC[C@H]1CCOC1 ZINC000261598021 135236667 /nfs/dbraw/zinc/23/66/67/135236667.db2.gz ZIQAQOVCWOCWCQ-GRYCIOLGSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@H]1NCc1ccccc1F ZINC000261598492 135236854 /nfs/dbraw/zinc/23/68/54/135236854.db2.gz ZOYQROJPYPPABJ-ZWNOBZJWSA-N 2 0 222.307 1.913 20 0 BDADRP CCOCC(C)(C)C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000261597479 135236894 /nfs/dbraw/zinc/23/68/94/135236894.db2.gz ZCLCASXHZNRAQX-GFCCVEGCSA-N 2 0 228.380 1.781 20 0 BDADRP N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1c1ccccc1 ZINC000261602954 135237872 /nfs/dbraw/zinc/23/78/72/135237872.db2.gz ASBDTMOTDMROOH-VHDGCEQUSA-N 2 0 246.354 1.450 20 0 BDADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000261546566 135238376 /nfs/dbraw/zinc/23/83/76/135238376.db2.gz HAGOYBDCLXCZLJ-FPMFFAJLSA-N 2 0 234.318 1.995 20 0 BDADRP C[C@](C[NH3+])([NH2+]Cc1cccc(N)c1)C1CC1 ZINC000261657894 135243353 /nfs/dbraw/zinc/24/33/53/135243353.db2.gz IRXKNFASOJPUIG-CYBMUJFWSA-N 2 0 219.332 1.486 20 0 BDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C[C@H](C)[NH3+] ZINC000261687887 135246292 /nfs/dbraw/zinc/24/62/92/135246292.db2.gz BVQRRPNTOGTXAX-RYUDHWBXSA-N 2 0 241.379 1.104 20 0 BDADRP CCc1noc(C)c1CN1CC[C@@](C)(C[NH3+])C1 ZINC000261698781 135246737 /nfs/dbraw/zinc/24/67/37/135246737.db2.gz HXQNFAZFDQUINA-ZDUSSCGKSA-N 2 0 237.347 1.716 20 0 BDADRP CC(C)(CNC1=[NH+]CCCN1)[NH+]1CCCCC1 ZINC000261709528 135247629 /nfs/dbraw/zinc/24/76/29/135247629.db2.gz DMLJLYOZGMYNFY-UHFFFAOYSA-N 2 0 238.379 1.190 20 0 BDADRP C[C@@H]1CN(C[C@@]2(C)CC[NH2+]C2)C[C@H](C2CC2)O1 ZINC000261734701 135249212 /nfs/dbraw/zinc/24/92/12/135249212.db2.gz HPNGHVSAAIGICJ-BNOWGMLFSA-N 2 0 238.375 1.485 20 0 BDADRP C[C@@]1(C[NH+]2CCC(C)(CO)CC2)CC[NH2+]C1 ZINC000261776691 135252023 /nfs/dbraw/zinc/25/20/23/135252023.db2.gz NJHRMKMZWLNFKE-CYBMUJFWSA-N 2 0 226.364 1.080 20 0 BDADRP COC(=O)C(C)(C)CC[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000261920570 135263652 /nfs/dbraw/zinc/26/36/52/135263652.db2.gz KLEBOLFXEWFRJK-LLVKDONJSA-N 2 0 242.363 1.246 20 0 BDADRP c1cn(C[C@@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]C2)cn1 ZINC000261932038 135264072 /nfs/dbraw/zinc/26/40/72/135264072.db2.gz LREIKDXLGGILBN-KBPBESRZSA-N 3 0 248.374 1.347 20 0 BDADRP CC(C)[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)CC[N@@H+]1C ZINC000261936999 135264232 /nfs/dbraw/zinc/26/42/32/135264232.db2.gz MFDGBZADELVYAV-KGLIPLIRSA-N 2 0 239.407 1.258 20 0 BDADRP C[C@]1(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)CC[NH2+]C1 ZINC000261954968 135266002 /nfs/dbraw/zinc/26/60/02/135266002.db2.gz GPDKQKCMUDHBMB-RDBSUJKOSA-N 2 0 238.375 1.487 20 0 BDADRP COCC(C)(C)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261956319 135266416 /nfs/dbraw/zinc/26/64/16/135266416.db2.gz OSQVVIDOHZPKMP-FUNVUKJBSA-N 2 0 240.391 1.874 20 0 BDADRP Cn1ncc(Cl)c1CN1CC[C@@](C)(C[NH3+])C1 ZINC000262028044 135274281 /nfs/dbraw/zinc/27/42/81/135274281.db2.gz WVADZLUNESCKNA-NSHDSACASA-N 2 0 242.754 1.244 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CCCCN1Cc1cnc(N)s1 ZINC000262030809 135274316 /nfs/dbraw/zinc/27/43/16/135274316.db2.gz OAEVADBUUXPCFS-PSASIEDQSA-N 2 0 240.376 1.427 20 0 BDADRP c1nc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)co1 ZINC000262043218 135275879 /nfs/dbraw/zinc/27/58/79/135275879.db2.gz PJJGJOAEPZFLBR-UHFFFAOYSA-N 2 0 221.304 1.250 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](CCOCC(F)F)CC1 ZINC000262081284 135277434 /nfs/dbraw/zinc/27/74/34/135277434.db2.gz FCJKTZQNBBCCEZ-VIFPVBQESA-N 2 0 236.306 1.327 20 0 BDADRP C[C@@]1(C[N@@H+]2CCOCC3(CC3)C2)CC[NH2+]C1 ZINC000262115613 135279646 /nfs/dbraw/zinc/27/96/46/135279646.db2.gz WVIQVRNVVRBNNY-GFCCVEGCSA-N 2 0 224.348 1.098 20 0 BDADRP C[N@H+](C[C@@H]1CCCC[C@@H]1O)C[C@@]1(C)CC[NH2+]C1 ZINC000262106156 135280017 /nfs/dbraw/zinc/28/00/17/135280017.db2.gz VYTCJJWKTKUKGA-IHRRRGAJSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@]1(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC[NH2+]C1 ZINC000262144486 135281338 /nfs/dbraw/zinc/28/13/38/135281338.db2.gz ZKHSEAZLCJCXFU-CRWXNKLISA-N 3 0 237.391 1.045 20 0 BDADRP CCOC[C@@H]1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262144627 135281499 /nfs/dbraw/zinc/28/14/99/135281499.db2.gz ZKTXBLNUGNXVJE-ZIAGYGMSSA-N 2 0 240.391 1.735 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)C1([NH3+])CCCCC1 ZINC000262448582 135299864 /nfs/dbraw/zinc/29/98/64/135299864.db2.gz QHRBVPYUOXHEQR-LLVKDONJSA-N 2 0 241.379 1.282 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000262589640 135307267 /nfs/dbraw/zinc/30/72/67/135307267.db2.gz QNCJRQHLHDBQIS-MDZLAQPJSA-N 2 0 241.379 1.090 20 0 BDADRP [NH3+]CCCCCCC(=O)NC1(C[NH3+])CCCC1 ZINC000262607319 135308820 /nfs/dbraw/zinc/30/88/20/135308820.db2.gz UERNEAAKCSHZKX-UHFFFAOYSA-N 2 0 241.379 1.283 20 0 BDADRP C[C@H]1[NH2+]CCN(C(=O)CCCCCC[NH3+])[C@@H]1C ZINC000262698008 135314832 /nfs/dbraw/zinc/31/48/32/135314832.db2.gz AEFLDIMOWPKAAC-VXGBXAGGSA-N 2 0 241.379 1.104 20 0 BDADRP CCC(CC)(C[NH3+])NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000262608491 135315199 /nfs/dbraw/zinc/31/51/99/135315199.db2.gz UTMAXQLQOKQARX-WDEREUQCSA-N 2 0 241.379 1.138 20 0 BDADRP CCN1C[C@@H](C)[C@H]([NH2+]CCc2ccccn2)C1 ZINC000342960450 135342140 /nfs/dbraw/zinc/34/21/40/135342140.db2.gz NVSMWDBTZPDKQR-TZMCWYRMSA-N 2 0 233.359 1.554 20 0 BDADRP C(C1CCCC1)[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000299893633 135381088 /nfs/dbraw/zinc/38/10/88/135381088.db2.gz NGDRAMFCBICQGP-QWHCGFSZSA-N 2 0 208.349 1.860 20 0 BDADRP [NH3+]C1CCC([NH2+]C[C@@H]2CCCS2)CC1 ZINC000087668091 135510142 /nfs/dbraw/zinc/51/01/42/135510142.db2.gz XIHMYUVTUWGQCR-ILDUYXDCSA-N 2 0 214.378 1.742 20 0 BDADRP COCCOCCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000089140602 135530664 /nfs/dbraw/zinc/53/06/64/135530664.db2.gz UDIOZNVQLZJIDW-STQMWFEESA-N 2 0 244.379 1.147 20 0 BDADRP [NH3+]C1CCC([NH2+][C@@H]2CCC[C@@H]2F)CC1 ZINC000335005734 135863769 /nfs/dbraw/zinc/86/37/69/135863769.db2.gz HYRHGJWHOGYZGV-WFBLGPOFSA-N 2 0 200.301 1.737 20 0 BDADRP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc2n[nH]cc2c1 ZINC000335009087 135864712 /nfs/dbraw/zinc/86/47/12/135864712.db2.gz KEODVXHAMVWTTE-SNVBAGLBSA-N 2 0 244.342 1.966 20 0 BDADRP C[C@H](C[NH2+]C[C@H]1C[NH2+]C[C@H]1O)Cc1ccccc1 ZINC000346005419 135908386 /nfs/dbraw/zinc/90/83/86/135908386.db2.gz GHZFTUQTETXHQV-AEGPPILISA-N 2 0 248.370 1.035 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)[C@@H]2CCCC[NH2+]2)c1 ZINC000335241837 135984885 /nfs/dbraw/zinc/98/48/85/135984885.db2.gz OKCLHIHRRFGHGV-ZDUSSCGKSA-N 2 0 247.342 1.534 20 0 BDADRP c1n[nH]cc1CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000347748699 136011022 /nfs/dbraw/zinc/01/10/22/136011022.db2.gz MGQKTONUCYTELO-AWEZNQCLSA-N 2 0 248.374 1.370 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]2C(F)F)[C@@H](C)C1 ZINC000348185649 136044251 /nfs/dbraw/zinc/04/42/51/136044251.db2.gz QGSOOUUZVCNUDB-XWLWVQCSSA-N 2 0 232.318 1.960 20 0 BDADRP Oc1cccc(C[NH2+][C@H]2CCc3nc[nH]c3C2)c1 ZINC000335325860 136051993 /nfs/dbraw/zinc/05/19/93/136051993.db2.gz CQYOWDLDHCBGLS-NSHDSACASA-N 2 0 243.310 1.762 20 0 BDADRP C[C@H]([NH3+])c1ccc(C(=O)N2CCC[NH2+]CC2)cc1 ZINC000335390033 136090650 /nfs/dbraw/zinc/09/06/50/136090650.db2.gz KSFRJRXRFBDTKV-NSHDSACASA-N 2 0 247.342 1.142 20 0 BDADRP c1ccc2c(c1)CCC[C@@H]2[NH2+]CC1C[NH2+]C1 ZINC000335551940 136098351 /nfs/dbraw/zinc/09/83/51/136098351.db2.gz LPFJUATYCQJBJA-AWEZNQCLSA-N 2 0 216.328 1.873 20 0 BDADRP COC1CCC([NH2+][C@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000335595008 136104195 /nfs/dbraw/zinc/10/41/95/136104195.db2.gz MDQWWNCNNPYCPP-ABXWRUBCSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC2(C)CC[NH2+]CC2)c2nccn21 ZINC000335567857 136108201 /nfs/dbraw/zinc/10/82/01/136108201.db2.gz GKBKYEFNWWIWGF-RYUDHWBXSA-N 2 0 248.374 1.868 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)c2nccn21 ZINC000335567859 136108290 /nfs/dbraw/zinc/10/82/90/136108290.db2.gz GKBKYEFNWWIWGF-VXGBXAGGSA-N 2 0 248.374 1.868 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+](C3CCCC3)C2)C1 ZINC000335570938 136109129 /nfs/dbraw/zinc/10/91/29/136109129.db2.gz XRFWSVSNVNVLEE-ZDUSSCGKSA-N 2 0 208.349 1.957 20 0 BDADRP C[C@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)CCS1 ZINC000252681938 397811219 /nfs/dbraw/zinc/81/12/19/397811219.db2.gz BGWUVXGADHHMKI-QWRGUYRKSA-N 2 0 214.378 1.423 20 0 BDADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)C[NH3+])c1 ZINC000165999832 397798906 /nfs/dbraw/zinc/79/89/06/397798906.db2.gz LHSXMHWRXVVYEU-UHFFFAOYSA-N 2 0 249.358 1.102 20 0 BDADRP CC[C@@H]1C[C@H]1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000388006862 397941989 /nfs/dbraw/zinc/94/19/89/397941989.db2.gz MYBJHDHFDXYLDQ-AGIUHOORSA-N 2 0 226.364 1.079 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1CCCN1C)[C@H]1CCCO1 ZINC000649583561 397968532 /nfs/dbraw/zinc/96/85/32/397968532.db2.gz RHRMXRMBQWCESQ-FRRDWIJNSA-N 2 0 226.364 1.628 20 0 BDADRP CC[NH2+]CCCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000564822290 398044807 /nfs/dbraw/zinc/04/48/07/398044807.db2.gz KAMYKRSIBONFCE-UONOGXRCSA-N 2 0 233.359 1.720 20 0 BDADRP C[NH2+][C@@H](C)Cc1noc([C@@H]2CCC[NH2+]CC2)n1 ZINC000650227942 397998020 /nfs/dbraw/zinc/99/80/20/397998020.db2.gz PCUOMFGLRBJDBJ-VHSXEESVSA-N 2 0 238.335 1.077 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCCCO1 ZINC000383108892 398001652 /nfs/dbraw/zinc/00/16/52/398001652.db2.gz QLUURWDICMOIDE-IHRRRGAJSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@@H]1C[N@H+](C)CCN1C[C@H]1CCC[NH+]1C ZINC000649618726 398004391 /nfs/dbraw/zinc/00/43/91/398004391.db2.gz LUAGAXHZLFMWQG-CHWSQXEVSA-N 2 0 225.380 1.107 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](N(C)C[C@H]2CCC[NH+]2C)C1 ZINC000649624534 398005646 /nfs/dbraw/zinc/00/56/46/398005646.db2.gz JAVPOZGDNKTTEO-ZIAGYGMSSA-N 2 0 239.407 1.495 20 0 BDADRP CO[C@@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)C1CC1 ZINC000383229357 398012381 /nfs/dbraw/zinc/01/23/81/398012381.db2.gz MUCPTGXUGCPGOC-RISCZKNCSA-N 2 0 240.391 1.731 20 0 BDADRP CN(C[C@H]1CCC[NH+]1C)C[C@H]1CCC[N@@H+]1C ZINC000649631694 398013619 /nfs/dbraw/zinc/01/36/19/398013619.db2.gz JQICBAPNVRHUMC-CHWSQXEVSA-N 2 0 225.380 1.107 20 0 BDADRP CCC[N@@H+](CC(=O)OC)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414676562 398014666 /nfs/dbraw/zinc/01/46/66/398014666.db2.gz VGXBZNLFJXOUME-RYUDHWBXSA-N 2 0 242.363 1.260 20 0 BDADRP [NH3+][C@H]1CCN(c2cc[nH+]c3ccccc32)C1 ZINC000050244313 397970372 /nfs/dbraw/zinc/97/03/72/397970372.db2.gz LZFUHIFWKHKVCY-JTQLQIEISA-N 2 0 213.284 1.772 20 0 BDADRP Cc1ccc(CC[NH+]2CCC(O)(C[NH3+])CC2)cc1 ZINC000071563413 397975400 /nfs/dbraw/zinc/97/54/00/397975400.db2.gz HQWXPEZVWOXYNM-UHFFFAOYSA-N 2 0 248.370 1.323 20 0 BDADRP CC(C)[C@@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186567202 398093352 /nfs/dbraw/zinc/09/33/52/398093352.db2.gz QPEYPEOENIWRIF-UONOGXRCSA-N 2 0 241.423 1.647 20 0 BDADRP C(CN1CC[NH2+]CC1)[NH2+]CC1CCCCCC1 ZINC000414867914 398070217 /nfs/dbraw/zinc/07/02/17/398070217.db2.gz PFKYKMCZOANMOW-UHFFFAOYSA-N 2 0 239.407 1.452 20 0 BDADRP C[C@@H](CNC(=O)c1ccc2c[nH+]cn2c1)[NH+](C)C ZINC000284131110 398077146 /nfs/dbraw/zinc/07/71/46/398077146.db2.gz UUHXLAQOWCVLFN-JTQLQIEISA-N 2 0 246.314 1.014 20 0 BDADRP COCCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228543469 398094252 /nfs/dbraw/zinc/09/42/52/398094252.db2.gz JBGNIOJYOZUUSS-QJPTWQEYSA-N 2 0 212.337 1.082 20 0 BDADRP CC[C@H](O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062033283 398110867 /nfs/dbraw/zinc/11/08/67/398110867.db2.gz JNCYPWNHXFCVOF-AWEZNQCLSA-N 2 0 240.391 1.565 20 0 BDADRP COC[C@]1(C[NH2+][C@H](C)CCC2CC2)CCC[NH2+]1 ZINC000414957612 398127049 /nfs/dbraw/zinc/12/70/49/398127049.db2.gz QFHUPXVAXLYUQP-TZMCWYRMSA-N 2 0 240.391 1.923 20 0 BDADRP CC(C)[NH2+]C1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000361551104 167094948 /nfs/dbraw/zinc/09/49/48/167094948.db2.gz IFXFMLVENLTOSA-CYBMUJFWSA-N 2 0 240.391 1.875 20 0 BDADRP COc1ccc(C)cc1C[NH2+]C[C@H](C)C[NH3+] ZINC000258675778 322876011 /nfs/dbraw/zinc/87/60/11/322876011.db2.gz DHQZEIKLDDLZAY-LLVKDONJSA-N 2 0 222.332 1.688 20 0 BDADRP Cn1cnc2cc(C[NH2+]CCCC[NH3+])ccc21 ZINC000258976122 322880706 /nfs/dbraw/zinc/88/07/06/322880706.db2.gz UOHMVQCPSWYESA-UHFFFAOYSA-N 2 0 232.331 1.402 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H]2CCCC[C@@H]2O)C1 ZINC000393282053 487571260 /nfs/dbraw/zinc/57/12/60/487571260.db2.gz YXEIPLAHFDURTH-AVGNSLFASA-N 2 0 226.364 1.079 20 0 BDADRP CC(C)OCCC[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000336679608 167216193 /nfs/dbraw/zinc/21/61/93/167216193.db2.gz ALMQLIAUOJWWLK-VXGBXAGGSA-N 2 0 214.353 1.471 20 0 BDADRP CC(C)OCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000049260899 167230786 /nfs/dbraw/zinc/23/07/86/167230786.db2.gz PBVWASQNAFCTCM-KBPBESRZSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)OCC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063200291 167231561 /nfs/dbraw/zinc/23/15/61/167231561.db2.gz CVJAFKVVBJFNNR-AWEZNQCLSA-N 2 0 240.391 1.875 20 0 BDADRP C([NH2+]C1CSC1)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000668819269 487587704 /nfs/dbraw/zinc/58/77/04/487587704.db2.gz NPIFEQDEGDRGCC-GFCCVEGCSA-N 2 0 240.416 1.813 20 0 BDADRP CCC[N@@H+]1CC[C@H](NC2CC[NH+](CC)CC2)C1 ZINC000383151954 487589586 /nfs/dbraw/zinc/58/95/86/487589586.db2.gz JWFWDMDAIUJLDO-AWEZNQCLSA-N 2 0 239.407 1.545 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1)C1CCC1 ZINC000662264208 409562227 /nfs/dbraw/zinc/56/22/27/409562227.db2.gz CGIUPBSCYXOKQU-KGYLQXTDSA-N 2 0 226.364 1.471 20 0 BDADRP CC(C)[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CCC1 ZINC000662256057 409552270 /nfs/dbraw/zinc/55/22/70/409552270.db2.gz IZHHWEZDQJOHJN-CYBMUJFWSA-N 2 0 238.375 1.770 20 0 BDADRP O[C@@H]1CCC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662284923 409618677 /nfs/dbraw/zinc/61/86/77/409618677.db2.gz QYNSVWJFDZBISH-CQSZACIVSA-N 2 0 246.354 1.289 20 0 BDADRP CO[C@@H](CN(C)CC(C)(C)[NH3+])C1CCCC1 ZINC000662294177 409625078 /nfs/dbraw/zinc/62/50/78/409625078.db2.gz JLLCXKNSSADRJR-LBPRGKRZSA-N 2 0 228.380 1.861 20 0 BDADRP [NH3+]CC12CC(C1)C[N@@H+]2C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000662307235 409627746 /nfs/dbraw/zinc/62/77/46/409627746.db2.gz XNXUQCROKPHJIW-IAFLXDRLSA-N 2 0 220.360 1.846 20 0 BDADRP C[NH+](C)Cc1cccc(NC(=O)[C@H]2C[C@H]([NH3+])C2)c1 ZINC000662684066 409831923 /nfs/dbraw/zinc/83/19/23/409831923.db2.gz WWNIAQFWJVPKMS-HAQNSBGRSA-N 2 0 247.342 1.424 20 0 BDADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000662723593 409872901 /nfs/dbraw/zinc/87/29/01/409872901.db2.gz HLTZUEXQGOORFI-CHWSQXEVSA-N 2 0 249.358 1.176 20 0 BDADRP [NH3+]C1(c2nc([C@@H]3CCC[NH2+]3)no2)CCCC1 ZINC000647156886 410007245 /nfs/dbraw/zinc/00/72/45/410007245.db2.gz UITXWYXWSYKYCA-QMMMGPOBSA-N 2 0 222.292 1.222 20 0 BDADRP Cc1cc(NCCC[NH+]2CCC(O)CC2)cc[nH+]1 ZINC000663401900 410181027 /nfs/dbraw/zinc/18/10/27/410181027.db2.gz CTZDLJTYAJCTSI-UHFFFAOYSA-N 2 0 249.358 1.071 20 0 BDADRP CC1(C)CC[C@H]([NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC000663498119 410276527 /nfs/dbraw/zinc/27/65/27/410276527.db2.gz MCJPXMAXXBILCS-AKJDGMEZSA-N 2 0 208.349 1.907 20 0 BDADRP CCOC[C@H](C)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650718003 410354940 /nfs/dbraw/zinc/35/49/40/410354940.db2.gz UMNSNPLTBRFHRF-JTQLQIEISA-N 2 0 240.322 1.799 20 0 BDADRP C[C@H]1CCCN(CC[NH2+]C(C)(C)C)[C@@H]1CC[NH3+] ZINC000650712123 410342345 /nfs/dbraw/zinc/34/23/45/410342345.db2.gz RCJSFEFWQRDKNK-QWHCGFSZSA-N 2 0 241.423 1.824 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000650712070 410342627 /nfs/dbraw/zinc/34/26/27/410342627.db2.gz PRKKWRHGJDKTMO-IHRRRGAJSA-N 2 0 241.423 1.809 20 0 BDADRP C[C@@H]1CCCN(C[C@@H]2CCC[NH2+]C2)[C@@H]1CC[NH3+] ZINC000650711748 410342852 /nfs/dbraw/zinc/34/28/52/410342852.db2.gz CAHXNKVQQXSKLQ-MGPQQGTHSA-N 3 0 239.407 1.435 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+]CCC1(C[NH3+])CC1 ZINC000650713804 410344635 /nfs/dbraw/zinc/34/46/35/410344635.db2.gz CMXUHGSKCFDBRM-NSHDSACASA-N 3 0 213.369 1.078 20 0 BDADRP CCOc1cccc(C[NH2+]CCC2(C[NH3+])CC2)n1 ZINC000650712792 410345747 /nfs/dbraw/zinc/34/57/47/410345747.db2.gz UWFOLBPTBAJSEA-UHFFFAOYSA-N 2 0 249.358 1.699 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+]C1CCC([NH3+])CC1 ZINC000650720494 410358590 /nfs/dbraw/zinc/35/85/90/410358590.db2.gz RBBZRJYQRKWMGV-UHFFFAOYSA-N 3 0 247.386 1.766 20 0 BDADRP CN(CC[NH+]1CCCCC1)C[C@@]1(C)CC[NH2+]C1 ZINC000650725309 410362508 /nfs/dbraw/zinc/36/25/08/410362508.db2.gz XTFXLHUMVKSZEH-AWEZNQCLSA-N 2 0 239.407 1.404 20 0 BDADRP FC1(F)C[C@@]12CC[N@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000650725324 410363672 /nfs/dbraw/zinc/36/36/72/410363672.db2.gz YJTIKALRTMHOKO-GHMZBOCLSA-N 2 0 230.302 1.717 20 0 BDADRP CCn1cc([C@H](C)[NH2+]CCC2(C[NH3+])CC2)cn1 ZINC000650743859 410379710 /nfs/dbraw/zinc/37/97/10/410379710.db2.gz AOLHXMXWNXYBOS-NSHDSACASA-N 2 0 236.363 1.683 20 0 BDADRP Cc1nn(C)cc1[C@H](C)[NH2+]CCC1(C[NH3+])CC1 ZINC000650744378 410380734 /nfs/dbraw/zinc/38/07/34/410380734.db2.gz MTWRPSZBRYRXPB-JTQLQIEISA-N 2 0 236.363 1.508 20 0 BDADRP COC[C@@H]([NH2+]CCC1(C[NH3+])CC1)C1CC1 ZINC000650743846 410381084 /nfs/dbraw/zinc/38/10/84/410381084.db2.gz AKUBNMXLSPGBFO-LLVKDONJSA-N 2 0 212.337 1.130 20 0 BDADRP CC[C@@H]([NH2+]CCC1(C[NH3+])CC1)[C@@H]1CCOC1 ZINC000650746009 410384961 /nfs/dbraw/zinc/38/49/61/410384961.db2.gz UBGQNOUMHSNNFN-VXGBXAGGSA-N 2 0 226.364 1.520 20 0 BDADRP Cc1cc([C@@H](C)[NH2+]CCC2(C[NH3+])CC2)no1 ZINC000650747119 410386047 /nfs/dbraw/zinc/38/60/47/410386047.db2.gz SDFSCYFXDZEERD-SNVBAGLBSA-N 2 0 223.320 1.763 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650747670 410388476 /nfs/dbraw/zinc/38/84/76/410388476.db2.gz FLSBUDQPJAJIHJ-RYUDHWBXSA-N 3 0 225.380 1.093 20 0 BDADRP C[NH2+]Cc1ccccc1CN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000650755869 410399756 /nfs/dbraw/zinc/39/97/56/410399756.db2.gz OPHWQLUTBFXTMT-DOMZBBRYSA-N 2 0 247.386 1.636 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)[C@@H](C)OC ZINC000650758166 410406765 /nfs/dbraw/zinc/40/67/65/410406765.db2.gz KOGGWEKYPGPQLI-VXGBXAGGSA-N 2 0 236.359 1.919 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650761854 410409814 /nfs/dbraw/zinc/40/98/14/410409814.db2.gz MBBMPBJNJBSSIK-UONOGXRCSA-N 3 0 239.407 1.483 20 0 BDADRP COC[C@H](CC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)OC ZINC000665234781 410726353 /nfs/dbraw/zinc/72/63/53/410726353.db2.gz KBBMURKPGUYZQS-FRRDWIJNSA-N 2 0 244.379 1.016 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCN(C(C)(C)C)C1 ZINC000665235939 410727224 /nfs/dbraw/zinc/72/72/24/410727224.db2.gz CTTQWCJAWKJPPD-QWHCGFSZSA-N 2 0 241.423 1.966 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000665280568 410755256 /nfs/dbraw/zinc/75/52/56/410755256.db2.gz GLYINBLMFUCLAD-GMTAPVOTSA-N 2 0 202.342 1.373 20 0 BDADRP CO[C@H](C[NH2+][C@H](C)C1C[NH2+]C1)C1CCCCC1 ZINC000665283014 410763942 /nfs/dbraw/zinc/76/39/42/410763942.db2.gz GFDWIDWXCTZMMD-BXUZGUMPSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@H]([NH3+])[C@@H]1C[N@H+](C[C@@H]2CCCC[C@@H]2C)CCO1 ZINC000394864328 410828587 /nfs/dbraw/zinc/82/85/87/410828587.db2.gz SHWJVGZJJSMFOZ-XUXIUFHCSA-N 2 0 240.391 1.861 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]CC(OC)OC ZINC000104242489 169775812 /nfs/dbraw/zinc/77/58/12/169775812.db2.gz BJWKOFZAQDEWIN-GFCCVEGCSA-N 2 0 246.395 1.705 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCCNC1)C1CC[NH+](C)CC1 ZINC000396470019 410885230 /nfs/dbraw/zinc/88/52/30/410885230.db2.gz WPGDDYQJBCCBNW-DGCLKSJQSA-N 2 0 225.380 1.058 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@H](CO)C1 ZINC000169676118 169776674 /nfs/dbraw/zinc/77/66/74/169776674.db2.gz NYEIMCJYQMJESC-UONOGXRCSA-N 2 0 242.407 1.811 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000396454700 410882892 /nfs/dbraw/zinc/88/28/92/410882892.db2.gz XPUJBRGSQCXNBC-QWHCGFSZSA-N 3 0 239.407 1.306 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000396449884 410884103 /nfs/dbraw/zinc/88/41/03/410884103.db2.gz SNUYZAKMBUVIBH-OLZOCXBDSA-N 3 0 241.423 1.824 20 0 BDADRP C[C@H]([NH3+])CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000040802654 410890561 /nfs/dbraw/zinc/89/05/61/410890561.db2.gz BHDBPITYZSSVMF-WCQYABFASA-N 2 0 249.358 1.143 20 0 BDADRP CC(C)OC[C@@H](C)[NH2+]CCCC[NH+](C)C ZINC000308999098 167255361 /nfs/dbraw/zinc/25/53/61/167255361.db2.gz NKOOIXZWAZADNH-GFCCVEGCSA-N 2 0 216.369 1.731 20 0 BDADRP CCC[NH+](CCC)C[C@H](O)C[N@H+](C)C(C)C ZINC000309295636 410918490 /nfs/dbraw/zinc/91/84/90/410918490.db2.gz WWTYIALAYKUNIE-CYBMUJFWSA-N 2 0 230.396 1.810 20 0 BDADRP Cc1cnccc1CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000397549061 410926788 /nfs/dbraw/zinc/92/67/88/410926788.db2.gz YURMLEVCLOVTBB-ZIAGYGMSSA-N 2 0 231.343 1.084 20 0 BDADRP Cc1ccc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cn1 ZINC000335348006 487619818 /nfs/dbraw/zinc/61/98/18/487619818.db2.gz BSTVLTNUXNUADF-BXUZGUMPSA-N 2 0 233.359 1.807 20 0 BDADRP c1coc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000400940073 411163217 /nfs/dbraw/zinc/16/32/17/411163217.db2.gz AVMLIRIVJZJOFN-QJPTWQEYSA-N 2 0 220.316 1.757 20 0 BDADRP CC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000400925876 411163536 /nfs/dbraw/zinc/16/35/36/411163536.db2.gz MECXNMYHYMIXFF-GRYCIOLGSA-N 2 0 208.349 1.764 20 0 BDADRP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400916036 411163758 /nfs/dbraw/zinc/16/37/58/411163758.db2.gz HNEZXYQQWLYVTO-VEGXAWMVSA-N 2 0 208.349 1.763 20 0 BDADRP CC(C)C[N@H+](C)CCC[NH2+]CC1=CCCOC1 ZINC000651865629 411147833 /nfs/dbraw/zinc/14/78/33/411147833.db2.gz BDPDJUHRRNCCDP-UHFFFAOYSA-N 2 0 240.391 1.901 20 0 BDADRP CC(C)O[C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000404662944 411154080 /nfs/dbraw/zinc/15/40/80/411154080.db2.gz XHHAILUZVBISLW-UONOGXRCSA-N 2 0 240.391 1.875 20 0 BDADRP CCC(C)(C)[NH+]1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000655947690 411161573 /nfs/dbraw/zinc/16/15/73/411161573.db2.gz VPHCGNQBRCHPMR-ZDUSSCGKSA-N 2 0 239.407 1.402 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H]2CCSC2)CC[C@H]1[NH3+] ZINC000300231727 411116893 /nfs/dbraw/zinc/11/68/93/411116893.db2.gz INXFWLATGFKOAH-QJPTWQEYSA-N 2 0 228.405 1.799 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](C2CC2)C1 ZINC000653677737 411169354 /nfs/dbraw/zinc/16/93/54/411169354.db2.gz BUUYCSXGOBLBNI-UONOGXRCSA-N 2 0 240.391 1.421 20 0 BDADRP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401013677 411171884 /nfs/dbraw/zinc/17/18/84/411171884.db2.gz HZOYQCGSRNMSFX-MROQNXINSA-N 2 0 240.391 1.514 20 0 BDADRP CCOCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401055385 411174439 /nfs/dbraw/zinc/17/44/39/411174439.db2.gz HPAPRRQABDKKDQ-JHJVBQTASA-N 2 0 226.364 1.391 20 0 BDADRP CO[C@H](C)CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401041416 411174458 /nfs/dbraw/zinc/17/44/58/411174458.db2.gz DWSLVOXYTGWPMU-FVCCEPFGSA-N 2 0 226.364 1.389 20 0 BDADRP c1csc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000401060205 411175563 /nfs/dbraw/zinc/17/55/63/411175563.db2.gz JIFGBLWCECUOFH-OUAUKWLOSA-N 2 0 237.372 1.621 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]CCC[N@H+](C)CC(C)C ZINC000652222108 411175680 /nfs/dbraw/zinc/17/56/80/411175680.db2.gz FVVNBDAJHKZTAS-CHWSQXEVSA-N 2 0 230.396 1.977 20 0 BDADRP CO[C@@H](C)[C@H](C)[NH2+]CCC[N@H+](C)CC(C)C ZINC000652222111 411175826 /nfs/dbraw/zinc/17/58/26/411175826.db2.gz FVVNBDAJHKZTAS-STQMWFEESA-N 2 0 230.396 1.977 20 0 BDADRP Cc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)n(C)n1 ZINC000401109849 411176581 /nfs/dbraw/zinc/17/65/81/411176581.db2.gz GXFNTVHQVHYWOY-RWMBFGLXSA-N 2 0 248.374 1.206 20 0 BDADRP C(C[C@@H]1CCOC1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401072271 411177169 /nfs/dbraw/zinc/17/71/69/411177169.db2.gz BJSRHICKVFQIAR-ZOBORPQBSA-N 2 0 238.375 1.391 20 0 BDADRP Cc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)n(C)n1 ZINC000401109852 411177199 /nfs/dbraw/zinc/17/71/99/411177199.db2.gz GXFNTVHQVHYWOY-YNEHKIRRSA-N 2 0 248.374 1.206 20 0 BDADRP CC[C@H](O)CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401083158 411177215 /nfs/dbraw/zinc/17/72/15/411177215.db2.gz SWHZMYBDKGDTFJ-LOWDOPEQSA-N 2 0 226.364 1.125 20 0 BDADRP CCO[C@@H]1C[N@H+](CC2CCC2)C[C@H]1C[NH3+] ZINC000405555381 411188184 /nfs/dbraw/zinc/18/81/84/411188184.db2.gz AUKWDKXEZCLABM-VXGBXAGGSA-N 2 0 212.337 1.082 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H](NCC2([NH3+])CCCCC2)C1 ZINC000656192556 411198321 /nfs/dbraw/zinc/19/83/21/411198321.db2.gz BNWCBJQKNHJCTP-VXGBXAGGSA-N 2 0 225.380 1.508 20 0 BDADRP C[C@@H](Cc1ccccn1)[NH2+]C1CCC([NH3+])CC1 ZINC000656193933 411200051 /nfs/dbraw/zinc/20/00/51/411200051.db2.gz YYZUFKOGVQCARW-HIFPTAJRSA-N 2 0 233.359 1.872 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CNc3ccccc3C2)C1 ZINC000656193777 411200114 /nfs/dbraw/zinc/20/01/14/411200114.db2.gz RPZLELKLJOKLEP-MCIONIFRSA-N 2 0 245.370 1.883 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC2(CO)CCC2)C1 ZINC000656198435 411202918 /nfs/dbraw/zinc/20/29/18/411202918.db2.gz VOQWKGCNKIUMJA-MNOVXSKESA-N 2 0 212.337 1.009 20 0 BDADRP COCC1(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000656199834 411203870 /nfs/dbraw/zinc/20/38/70/411203870.db2.gz FJAIAMVISPUQJQ-NEPJUHHUSA-N 2 0 226.364 1.663 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC000656200150 411204187 /nfs/dbraw/zinc/20/41/87/411204187.db2.gz GAWRGURWAYTUCQ-LSDHHAIUSA-N 3 0 245.370 1.649 20 0 BDADRP COCC1(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000656199836 411204277 /nfs/dbraw/zinc/20/42/77/411204277.db2.gz FJAIAMVISPUQJQ-RYUDHWBXSA-N 2 0 226.364 1.663 20 0 BDADRP COCC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000656200027 411204726 /nfs/dbraw/zinc/20/47/26/411204726.db2.gz INNGLDZLRZEEKB-JHJVBQTASA-N 2 0 238.375 1.391 20 0 BDADRP C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)OCC1CCCC1 ZINC000656417108 411245865 /nfs/dbraw/zinc/24/58/65/411245865.db2.gz UZBICHOKXRAWES-OKILXGFUSA-N 2 0 238.375 1.344 20 0 BDADRP C[NH2+]CCCN1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000652356141 411214771 /nfs/dbraw/zinc/21/47/71/411214771.db2.gz TZPZQYKFJQJFMF-VXGBXAGGSA-N 2 0 213.369 1.045 20 0 BDADRP C[C@H](CO)C1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000652358578 411216033 /nfs/dbraw/zinc/21/60/33/411216033.db2.gz TXTWZWFMHIFYEP-CHWSQXEVSA-N 2 0 240.391 1.326 20 0 BDADRP COC1CCC([NH2+]C[C@H](C)C[NH+](C)C)CC1 ZINC000309756720 411222897 /nfs/dbraw/zinc/22/28/97/411222897.db2.gz LSMYBRDDSIUKDH-HIFPTAJRSA-N 2 0 228.380 1.731 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)C1CCCCC1 ZINC000310215235 411224957 /nfs/dbraw/zinc/22/49/57/411224957.db2.gz DZIGCZBIAKMASS-OCCSQVGLSA-N 2 0 242.407 1.857 20 0 BDADRP CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423173682 411236369 /nfs/dbraw/zinc/23/63/69/411236369.db2.gz ZRWBRBADOTYIKG-MMWGEVLESA-N 2 0 200.326 1.269 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000423173368 411236409 /nfs/dbraw/zinc/23/64/09/411236409.db2.gz YEEMYKQECSWNLP-UONOGXRCSA-N 3 0 241.423 1.825 20 0 BDADRP COCC[C@H](C)[NH2+][C@@H]1CCN(C(C)(C)C)C1 ZINC000658091409 411241992 /nfs/dbraw/zinc/24/19/92/411241992.db2.gz MFSNAEKGJLRZHL-NWDGAFQWSA-N 2 0 228.380 1.874 20 0 BDADRP CC(C)OCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400955459 411166778 /nfs/dbraw/zinc/16/67/78/411166778.db2.gz JEZIWTIODQCQPE-BFHYXJOUSA-N 2 0 240.391 1.779 20 0 BDADRP CCN(CC)CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400973453 411167426 /nfs/dbraw/zinc/16/74/26/411167426.db2.gz NZHNPAHVOXEXIA-HZSPNIEDSA-N 2 0 239.407 1.306 20 0 BDADRP CC(C)N(C)CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400975260 411167513 /nfs/dbraw/zinc/16/75/13/411167513.db2.gz OTPKFRYGTMKVDP-MGPQQGTHSA-N 2 0 239.407 1.304 20 0 BDADRP O[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000400978007 411167834 /nfs/dbraw/zinc/16/78/34/411167834.db2.gz SOIYYYJLGQASHC-MEBFFEOJSA-N 2 0 238.375 1.125 20 0 BDADRP CCC[C@H]([NH3+])c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000656467626 411279306 /nfs/dbraw/zinc/27/93/06/411279306.db2.gz PWYUXIWFKPPZFG-ZJUUUORDSA-N 2 0 223.324 1.003 20 0 BDADRP CC[C@@H](O)C[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000658190291 411286020 /nfs/dbraw/zinc/28/60/20/411286020.db2.gz QAKLUXQLXGHQIE-UTUOFQBUSA-N 2 0 214.353 1.077 20 0 BDADRP CC[C@H]([NH2+]C)c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000656562212 411302154 /nfs/dbraw/zinc/30/21/54/411302154.db2.gz IQPQHSCAZHRYEJ-NSHDSACASA-N 2 0 246.314 1.866 20 0 BDADRP COC[C@@H](C)[NH2+]C[C@H]1CCN1C(C)(C)C ZINC000656676662 411323384 /nfs/dbraw/zinc/32/33/84/411323384.db2.gz PKFXQWQBEZYFGN-GHMZBOCLSA-N 2 0 214.353 1.484 20 0 BDADRP C[C@H](C[NH2+]C[C@]1(C)CC[NH2+]C1)c1ccccn1 ZINC000656783972 411360870 /nfs/dbraw/zinc/36/08/70/411360870.db2.gz WXRSRTMXUOKTBK-TZMCWYRMSA-N 2 0 233.359 1.774 20 0 BDADRP C[C@H](C[NH2+][C@H]1CCC[NH2+]CC1)c1ccccn1 ZINC000656784144 411361928 /nfs/dbraw/zinc/36/19/28/411361928.db2.gz YZSQHANTOIHJDR-OLZOCXBDSA-N 2 0 233.359 1.917 20 0 BDADRP CC(C)[C@@H]([NH3+])CNCc1ccc2c(c1)C[NH2+]CC2 ZINC000656787412 411366116 /nfs/dbraw/zinc/36/61/16/411366116.db2.gz YHVHYYSELFROCX-HNNXBMFYSA-N 2 0 247.386 1.405 20 0 BDADRP C[C@@]12COC[C@]1(C)C[N@@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000656788056 411366895 /nfs/dbraw/zinc/36/68/95/411366895.db2.gz NPUGGCWVEIEMHF-MELADBBJSA-N 2 0 238.375 1.344 20 0 BDADRP C1CC1[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[NH2+]C2)C1 ZINC000656788036 411368298 /nfs/dbraw/zinc/36/82/98/411368298.db2.gz KYOBMOLBSDIICD-UPJWGTAASA-N 2 0 208.349 1.907 20 0 BDADRP [NH3+]C1(C[NH2+]C[C@@H]2CCSC2)CCCC1 ZINC000656789723 411370758 /nfs/dbraw/zinc/37/07/58/411370758.db2.gz WKLQTULWONWALZ-JTQLQIEISA-N 2 0 214.378 1.601 20 0 BDADRP Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000656791671 411370859 /nfs/dbraw/zinc/37/08/59/411370859.db2.gz KTHHXEPYPUXEMD-ZFWWWQNUSA-N 2 0 245.370 1.988 20 0 BDADRP CC(C)[C@H](O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660662435 411375386 /nfs/dbraw/zinc/37/53/86/411375386.db2.gz KDQUBGKKSSUHEG-ZIAGYGMSSA-N 2 0 240.391 1.421 20 0 BDADRP CC1CCN(C(=[NH2+])NC[C@H]2CC[N@H+](C)C2)CC1 ZINC000303264396 168171410 /nfs/dbraw/zinc/17/14/10/168171410.db2.gz SITXDVAJXJAYJF-GFCCVEGCSA-N 2 0 238.379 1.194 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]CCC[N@H+](C)C(C)C)CO1 ZINC000657305977 411456939 /nfs/dbraw/zinc/45/69/39/411456939.db2.gz WNUKFRYWAQZTLN-QWHCGFSZSA-N 2 0 228.380 1.874 20 0 BDADRP Cc1ncc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n1C ZINC000657313374 411460482 /nfs/dbraw/zinc/46/04/82/411460482.db2.gz KVBSTYIUNZQZFJ-CHWSQXEVSA-N 2 0 248.374 1.445 20 0 BDADRP CC(C)C[N@H+](C)CCCNC(=O)C[NH2+]C(C)C ZINC000659327205 411394694 /nfs/dbraw/zinc/39/46/94/411394694.db2.gz LDPMMBMVPREPMC-UHFFFAOYSA-N 2 0 243.395 1.079 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](CC)C2)CO1 ZINC000657315448 411461507 /nfs/dbraw/zinc/46/15/07/411461507.db2.gz NCJXATCQGSXEBI-YNEHKIRRSA-N 2 0 226.364 1.485 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000653055970 411406850 /nfs/dbraw/zinc/40/68/50/411406850.db2.gz QPBHMYJSIHFQSP-SDDRHHMPSA-N 2 0 241.379 1.138 20 0 BDADRP CC[C@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)CCO1 ZINC000070360445 411408017 /nfs/dbraw/zinc/40/80/17/411408017.db2.gz IPTAOJNTTAHVEF-KGLIPLIRSA-N 2 0 240.391 1.875 20 0 BDADRP C[NH+](C)CC[C@H](N)C(=O)Nc1ccccc1F ZINC000653056418 411408552 /nfs/dbraw/zinc/40/85/52/411408552.db2.gz FQOWJIWFIDARAO-JTQLQIEISA-N 2 0 239.294 1.043 20 0 BDADRP CCO[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C[NH3+] ZINC000405900395 411446360 /nfs/dbraw/zinc/44/63/60/411446360.db2.gz ZNPOLRYFRJLLIN-VXGBXAGGSA-N 2 0 228.380 1.718 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)CO1 ZINC000657334500 411463910 /nfs/dbraw/zinc/46/39/10/411463910.db2.gz BVSTYKNVLNSGHA-VXGBXAGGSA-N 2 0 214.353 1.485 20 0 BDADRP Cc1c[nH]c(C[NH2+]CCCC[NH+](C)C)n1 ZINC000657335428 411471547 /nfs/dbraw/zinc/47/15/47/411471547.db2.gz PZUBTKZWNAWAQL-UHFFFAOYSA-N 2 0 210.325 1.150 20 0 BDADRP C[NH+](C)CCCC[NH2+]Cc1cc2n(n1)CCC2 ZINC000657335433 411472256 /nfs/dbraw/zinc/47/22/56/411472256.db2.gz QDZURYWLTWESIF-UHFFFAOYSA-N 2 0 236.363 1.261 20 0 BDADRP C[NH+]1CCC(C[NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC000657349300 411476147 /nfs/dbraw/zinc/47/61/47/411476147.db2.gz PQLRBTMZPVSYTK-UHFFFAOYSA-N 2 0 248.374 1.261 20 0 BDADRP CC[NH+]1CCC(N(C)C[C@H]([NH3+])CC(C)C)CC1 ZINC000042689554 169952473 /nfs/dbraw/zinc/95/24/73/169952473.db2.gz IODMZQNTVHBPLN-CYBMUJFWSA-N 2 0 241.423 1.776 20 0 BDADRP C[N@H+]1CC=C(C[NH2+]Cc2cnn3c2CCC3)CC1 ZINC000657426613 411503739 /nfs/dbraw/zinc/50/37/39/411503739.db2.gz AEBIPLDLIQTAOT-UHFFFAOYSA-N 2 0 246.358 1.181 20 0 BDADRP CC[C@H]1C[C@H]([NH2+]CCCC[NH+](C)C)CCO1 ZINC000069890700 411506061 /nfs/dbraw/zinc/50/60/61/411506061.db2.gz JSRPAFZXEUBPCT-OLZOCXBDSA-N 2 0 228.380 1.875 20 0 BDADRP CC[C@H]1C[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)CO1 ZINC000657430838 411508016 /nfs/dbraw/zinc/50/80/16/411508016.db2.gz TVIVKPFUXFTBMS-OLZOCXBDSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1c[nH]c(C[NH2+]C2CCC([NH+](C)C)CC2)n1 ZINC000657493368 411534635 /nfs/dbraw/zinc/53/46/35/411534635.db2.gz CKGNMFYIRXNYDV-UHFFFAOYSA-N 2 0 236.363 1.681 20 0 BDADRP COCC1(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000655818768 411525578 /nfs/dbraw/zinc/52/55/78/411525578.db2.gz UEPODBGEFWIPFY-NEPJUHHUSA-N 2 0 226.364 1.485 20 0 BDADRP CCC[NH+]1CCC([NH2+]CC2(COC)CC2)CC1 ZINC000655821393 411526427 /nfs/dbraw/zinc/52/64/27/411526427.db2.gz YFGWYHKFFSVPAV-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP CC[N@@H+]1CC[C@@H](CN[C@H](C)c2cc(C)on2)C1 ZINC000353424743 170009688 /nfs/dbraw/zinc/00/96/88/170009688.db2.gz ICUZNSJSUANQDG-NEPJUHHUSA-N 2 0 237.347 1.975 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H](C)[C@@H]2C)C1 ZINC000336672808 170017429 /nfs/dbraw/zinc/01/74/29/170017429.db2.gz GOLAWFZXPUPVEV-WUHRBBMRSA-N 2 0 210.365 1.962 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CCOC2)C[C@H]1C ZINC000336692755 170019457 /nfs/dbraw/zinc/01/94/57/170019457.db2.gz IRVYKIJNRODLQF-MCIONIFRSA-N 2 0 240.391 1.828 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)C2CC2)[C@@H](C)C1 ZINC000353517827 170021367 /nfs/dbraw/zinc/02/13/67/170021367.db2.gz ZELYBVZGALCHAD-UBHSHLNASA-N 2 0 240.391 1.325 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](C)C2)[C@@H](C)C1 ZINC000358293710 170021900 /nfs/dbraw/zinc/02/19/00/170021900.db2.gz AZPQPPCZAMTICD-FQUUOJAGSA-N 2 0 240.391 1.874 20 0 BDADRP CC[NH2+]Cc1cccc(NC(=O)[C@@H]([NH3+])CC)c1 ZINC000131644953 170128225 /nfs/dbraw/zinc/12/82/25/170128225.db2.gz UOCWBWWXVYHIQO-LBPRGKRZSA-N 2 0 235.331 1.472 20 0 BDADRP CC[NH2+]Cc1cccc(NC(=O)[C@@H](C)C[NH2+]C)c1 ZINC000123592728 170128493 /nfs/dbraw/zinc/12/84/93/170128493.db2.gz IAOVMRFHYMMCTM-NSHDSACASA-N 2 0 249.358 1.590 20 0 BDADRP CC(C)C[C@@H](CO)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657629236 411566696 /nfs/dbraw/zinc/56/66/96/411566696.db2.gz QNPCSHOMKHONFJ-IHRRRGAJSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@H]1CN(C)C[C@@H]1[NH2+]CCCOC(C)(C)C ZINC000657638071 411567595 /nfs/dbraw/zinc/56/75/95/411567595.db2.gz POCQFCBQBOVRBM-RYUDHWBXSA-N 2 0 228.380 1.731 20 0 BDADRP CCOC1CC([NH2+]Cc2ccc3c[nH+]cn3c2)C1 ZINC000297440701 170329070 /nfs/dbraw/zinc/32/90/70/170329070.db2.gz GFONWOFXJVYQDN-UHFFFAOYSA-N 2 0 245.326 1.991 20 0 BDADRP c1c[nH]c(CN[C@@H]2CC[N@@H+](C3CCCCC3)C2)n1 ZINC000657674678 411575577 /nfs/dbraw/zinc/57/55/77/411575577.db2.gz LKMMKSGLDBJMSN-GFCCVEGCSA-N 2 0 248.374 1.906 20 0 BDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@H]1CCC[C@@H](C)O1 ZINC000657662606 411575664 /nfs/dbraw/zinc/57/56/64/411575664.db2.gz BONFVYSSVXROLN-LPWJVIDDSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@@H]1CN(C)C[C@H]1[NH2+]CCC(C)(C)F ZINC000657645392 411568993 /nfs/dbraw/zinc/56/89/93/411568993.db2.gz UTWOTTQOEQZDAT-NXEZZACHSA-N 2 0 202.317 1.664 20 0 BDADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CC2)[C@@H](C)C1 ZINC000359377721 170374345 /nfs/dbraw/zinc/37/43/45/170374345.db2.gz KZACCRYISZBHSO-GXTWGEPZSA-N 2 0 240.391 1.875 20 0 BDADRP CCOCCC[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000300872840 170382283 /nfs/dbraw/zinc/38/22/83/170382283.db2.gz QYBBGYDMQRPRQM-LLVKDONJSA-N 2 0 214.353 1.391 20 0 BDADRP CCOCCC[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000300872844 170383217 /nfs/dbraw/zinc/38/32/17/170383217.db2.gz QYBBGYDMQRPRQM-NSHDSACASA-N 2 0 214.353 1.391 20 0 BDADRP CCOCC[N@H+](CC)CC[C@@H]1CCC[NH2+]C1 ZINC000082537249 170394842 /nfs/dbraw/zinc/39/48/42/170394842.db2.gz JGPNHWORWLPJME-ZDUSSCGKSA-N 2 0 228.380 1.735 20 0 BDADRP CN(C[C@@H](O)C[NH2+]CC1=CCCC1)C1CC1 ZINC000663363339 411637828 /nfs/dbraw/zinc/63/78/28/411637828.db2.gz JQQYYUJUYWGMOA-ZDUSSCGKSA-N 2 0 224.348 1.141 20 0 BDADRP CN1CCC([NH2+]C[C@@H](CO)CC2CC2)CC1 ZINC000657704463 411584065 /nfs/dbraw/zinc/58/40/65/411584065.db2.gz GEIPGPUNJMHUBT-LBPRGKRZSA-N 2 0 226.364 1.079 20 0 BDADRP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657816739 411605556 /nfs/dbraw/zinc/60/55/56/411605556.db2.gz NEVYXDRLFTZZFU-LBPRGKRZSA-N 2 0 240.391 1.875 20 0 BDADRP FCC1(CF)CC([NH2+][C@@H]2CCN(C3CC3)C2)C1 ZINC000657871333 411614021 /nfs/dbraw/zinc/61/40/21/411614021.db2.gz JSHIWAYNHNEMLX-SNVBAGLBSA-N 2 0 244.329 1.901 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000657875222 411614771 /nfs/dbraw/zinc/61/47/71/411614771.db2.gz BSXGDUJZVXAMHD-STQMWFEESA-N 2 0 238.375 1.629 20 0 BDADRP CCOCCC[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660661173 411614820 /nfs/dbraw/zinc/61/48/20/411614820.db2.gz ZBBKFFSVRREFNL-AWEZNQCLSA-N 2 0 240.391 1.831 20 0 BDADRP CC[C@@](C)(O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660662657 411615534 /nfs/dbraw/zinc/61/55/34/411615534.db2.gz KNHNZHFDAVSFAH-KGLIPLIRSA-N 2 0 240.391 1.565 20 0 BDADRP Cc1cc(CO)cc(NC[C@H]2CCC[N@@H+](C)C2)n1 ZINC000663578591 411705884 /nfs/dbraw/zinc/70/58/84/411705884.db2.gz GUFNOJUQBNLXQI-GFCCVEGCSA-N 2 0 249.358 1.636 20 0 BDADRP C[C@@H]1CCC[C@H]([NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC000663497320 411679253 /nfs/dbraw/zinc/67/92/53/411679253.db2.gz DQZCBHCEGQCUHQ-IGJPJIBNSA-N 2 0 208.349 1.907 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@H]1CCC[NH2+]CC1 ZINC000663502731 411685845 /nfs/dbraw/zinc/68/58/45/411685845.db2.gz LIBFAXSMFIHWAF-NWDGAFQWSA-N 2 0 213.369 1.092 20 0 BDADRP CC[C@@H](COC)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000663501664 411686275 /nfs/dbraw/zinc/68/62/75/411686275.db2.gz BEEAZZMPZYVFPQ-WDEREUQCSA-N 2 0 202.342 1.374 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000663504287 411687229 /nfs/dbraw/zinc/68/72/29/411687229.db2.gz YGJFAZCOVSGEMV-RWMBFGLXSA-N 3 0 227.396 1.338 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000663503289 411688121 /nfs/dbraw/zinc/68/81/21/411688121.db2.gz NHZKVQFABMDTBZ-XJFOESAGSA-N 3 0 239.407 1.338 20 0 BDADRP C[N@H+](CC1=CCSC1)C[C@]1(C)CC[NH2+]C1 ZINC000663506648 411690084 /nfs/dbraw/zinc/69/00/84/411690084.db2.gz MQPMGCZKCVODRW-GFCCVEGCSA-N 2 0 226.389 1.591 20 0 BDADRP C[N@H+](C[C@@H]1CC1(C)C)C[C@]1(C)CC[NH2+]C1 ZINC000663514757 411695657 /nfs/dbraw/zinc/69/56/57/411695657.db2.gz SQPKJWOSAXWRDC-WCQYABFASA-N 2 0 210.365 1.964 20 0 BDADRP C[NH+](C)C1CN(c2[nH+]ccc3[nH]ccc32)C1 ZINC000663754198 411738965 /nfs/dbraw/zinc/73/89/65/411738965.db2.gz FERJVCJBMMAOJX-UHFFFAOYSA-N 2 0 216.288 1.313 20 0 BDADRP CC(C)[NH+]1CCC(NC[C@H]2CCCC[NH2+]2)CC1 ZINC000232647166 487620623 /nfs/dbraw/zinc/62/06/23/487620623.db2.gz VOZKRJONTBNMKS-CQSZACIVSA-N 2 0 239.407 1.591 20 0 BDADRP O[C@H]1C[C@H]([NH2+]CCN2CCCCC2)C12CCC2 ZINC000661830927 411894803 /nfs/dbraw/zinc/89/48/03/411894803.db2.gz LDUQUBZTHRLSQB-STQMWFEESA-N 2 0 238.375 1.365 20 0 BDADRP Cc1cc(NCC[C@H](C)[NH+](C)C)cc[nH+]1 ZINC000664244528 411897618 /nfs/dbraw/zinc/89/76/18/411897618.db2.gz LEQISUSNWNFNHJ-NSHDSACASA-N 2 0 207.321 1.564 20 0 BDADRP CC[C@@H](C)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662154586 412007969 /nfs/dbraw/zinc/00/79/69/412007969.db2.gz XWJKJPPHAQBTSO-OCCSQVGLSA-N 2 0 240.391 1.564 20 0 BDADRP CC(C)CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662154930 412008887 /nfs/dbraw/zinc/00/88/87/412008887.db2.gz HNUVFZRWPDOIBZ-CQSZACIVSA-N 2 0 240.391 1.564 20 0 BDADRP CCC[N@H+](C)CC(C)(C)NC(=O)CC1([NH3+])CC1 ZINC000664718651 412014103 /nfs/dbraw/zinc/01/41/03/412014103.db2.gz GVCURBYIIQHOFG-UHFFFAOYSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)[C@@H]1CCO ZINC000662216815 412029869 /nfs/dbraw/zinc/02/98/69/412029869.db2.gz PJXVCJOMOMHHKN-TZMCWYRMSA-N 2 0 240.391 1.469 20 0 BDADRP [NH3+]CC1CC[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000662235272 412035374 /nfs/dbraw/zinc/03/53/74/412035374.db2.gz OZPANRBLNWELAA-CLLJXQQHSA-N 2 0 208.349 1.703 20 0 BDADRP [NH3+]C1CCN(Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662239655 412037849 /nfs/dbraw/zinc/03/78/49/412037849.db2.gz DNUOUQWOMLNTAU-UHFFFAOYSA-N 2 0 245.370 1.255 20 0 BDADRP C[NH2+][C@@H]1CCCN(C[C@H](OC)C2CCCC2)C1 ZINC000662245040 412040786 /nfs/dbraw/zinc/04/07/86/412040786.db2.gz HJVPEGCYBULLGG-KGLIPLIRSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@H](CC(F)F)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000662245246 412041760 /nfs/dbraw/zinc/04/17/60/412041760.db2.gz JMCNDVPBJUQHTA-NXEZZACHSA-N 2 0 220.307 1.948 20 0 BDADRP C[N@H+](CCCC1CCC1)CCN1CC[NH2+]CC1 ZINC000662245586 412042162 /nfs/dbraw/zinc/04/21/62/412042162.db2.gz LQZHNOLZMGUYPA-UHFFFAOYSA-N 2 0 239.407 1.404 20 0 BDADRP CO[C@H](C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1)C1CCC1 ZINC000662246378 412043380 /nfs/dbraw/zinc/04/33/80/412043380.db2.gz ROPLTMHPPIZTQZ-KWCYVHTRSA-N 2 0 240.391 1.861 20 0 BDADRP C[C@@H]1CC[C@H](C)[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662253731 412048292 /nfs/dbraw/zinc/04/82/92/412048292.db2.gz CAMVOEVSNSBECC-AGIUHOORSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@H]1CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662254667 412049784 /nfs/dbraw/zinc/04/97/84/412049784.db2.gz SCQYDFNTPGUGDV-STQMWFEESA-N 2 0 238.375 1.629 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662255575 412051847 /nfs/dbraw/zinc/05/18/47/412051847.db2.gz FCNKCJWNJKJXFH-GRYCIOLGSA-N 2 0 224.348 1.238 20 0 BDADRP CC[C@@H](C)C[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662255479 412052352 /nfs/dbraw/zinc/05/23/52/412052352.db2.gz PTTWEOACDYWJSY-VXGBXAGGSA-N 2 0 226.364 1.485 20 0 BDADRP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000309573700 171044481 /nfs/dbraw/zinc/04/44/81/171044481.db2.gz OHGNJFVFAKCXCU-UPJWGTAASA-N 2 0 226.364 1.221 20 0 BDADRP CC[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH2+]CC1 ZINC000136184899 171053897 /nfs/dbraw/zinc/05/38/97/171053897.db2.gz AMILAOBJIQSWRT-QWHCGFSZSA-N 2 0 225.380 1.155 20 0 BDADRP CC[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000020593556 171079667 /nfs/dbraw/zinc/07/96/67/171079667.db2.gz AIIFDTMWBRTKOV-CYBMUJFWSA-N 2 0 226.364 1.487 20 0 BDADRP Cc1nnc([C@H](C)[N@@H+]2CCC[C@H](CC[NH3+])C2)[nH]1 ZINC000662272513 412063576 /nfs/dbraw/zinc/06/35/76/412063576.db2.gz OJIRUMDFKABXDV-GXSJLCMTSA-N 2 0 237.351 1.235 20 0 BDADRP CC[C@@]1(C(=O)Nc2ccc(C[NH3+])cc2)CCC[NH2+]1 ZINC000131741544 171197476 /nfs/dbraw/zinc/19/74/76/171197476.db2.gz MEMOALJCRXEJMA-AWEZNQCLSA-N 2 0 247.342 1.616 20 0 BDADRP CC(C)C[C@@H](C)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662282533 412072394 /nfs/dbraw/zinc/07/23/94/412072394.db2.gz BMUACHYMJREKNA-GFCCVEGCSA-N 2 0 228.380 1.373 20 0 BDADRP CC[C@H](C(=O)NCC(C)(C)C[NH+](C)C)[NH+](C)C ZINC000124582449 171226990 /nfs/dbraw/zinc/22/69/90/171226990.db2.gz RUHVPSMPICERKW-LLVKDONJSA-N 2 0 243.395 1.031 20 0 BDADRP CC[C@@H]1[C@H](C)CC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662282239 412073687 /nfs/dbraw/zinc/07/36/87/412073687.db2.gz OAWPCGJAIZOSFB-JHJVBQTASA-N 2 0 238.375 1.628 20 0 BDADRP CCC(CC)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662282941 412076105 /nfs/dbraw/zinc/07/61/05/412076105.db2.gz DWFGBEDEUZFJMR-UHFFFAOYSA-N 2 0 214.353 1.127 20 0 BDADRP CC[C@H](C)C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000357348189 171284240 /nfs/dbraw/zinc/28/42/40/171284240.db2.gz XDCCBOQGHADHHE-ZDUSSCGKSA-N 2 0 242.407 1.857 20 0 BDADRP CC[C@H](C)C[NH2+]C[C@@H]1CN2CCCC[C@H]2CO1 ZINC000378381573 171285189 /nfs/dbraw/zinc/28/51/89/171285189.db2.gz VMBJRCIWDLDQQW-MELADBBJSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]([NH3+])CC(C)C ZINC000226396226 171305995 /nfs/dbraw/zinc/30/59/95/171305995.db2.gz YKIDYQWIDLQTBN-RYUDHWBXSA-N 2 0 243.395 1.206 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@H]1CC[NH+](C)C[C@H]1C ZINC000361038487 171308066 /nfs/dbraw/zinc/30/80/66/171308066.db2.gz PDRUZIFOMQHFAQ-RDBSUJKOSA-N 2 0 241.423 1.647 20 0 BDADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC(C)(C)C[NH+](C)C ZINC000019505670 171370727 /nfs/dbraw/zinc/37/07/27/171370727.db2.gz BCPJNVPIQGSBGI-WDEREUQCSA-N 2 0 243.395 1.064 20 0 BDADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000226397192 171370764 /nfs/dbraw/zinc/37/07/64/171370764.db2.gz CRJKPTLMDMLVAO-SDDRHHMPSA-N 2 0 243.395 1.206 20 0 BDADRP C[C@H]([NH3+])CN1C[C@H]([NH3+])CCc2ccccc21 ZINC000662302805 412088122 /nfs/dbraw/zinc/08/81/22/412088122.db2.gz PESSPCULUHNXDN-CMPLNLGQSA-N 2 0 219.332 1.114 20 0 BDADRP [NH3+][C@H]1CCc2ccccc2N(C[C@@H]2CC[NH2+]C2)C1 ZINC000662301545 412088907 /nfs/dbraw/zinc/08/89/07/412088907.db2.gz HFXBUGGJVCCZOR-OCCSQVGLSA-N 2 0 245.370 1.376 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000662317605 412097809 /nfs/dbraw/zinc/09/78/09/412097809.db2.gz XVVZGTGUYDSLNH-GRYCIOLGSA-N 2 0 212.337 1.095 20 0 BDADRP C[N@H+](C[C@H]1CC1(C)C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662331618 412105301 /nfs/dbraw/zinc/10/53/01/412105301.db2.gz OIWXLXVEWLWTNK-VXGBXAGGSA-N 2 0 238.375 1.485 20 0 BDADRP C[N@H+](C[C@H]1CC1(C)C)C[C@H]1CCC[NH2+]C1 ZINC000662332784 412106485 /nfs/dbraw/zinc/10/64/85/412106485.db2.gz XJBNUDGDBHHUOR-NWDGAFQWSA-N 2 0 210.365 1.964 20 0 BDADRP CC[C@@H]([NH2+]C)C(=O)Nc1cccc(C[NH3+])c1 ZINC000662393279 412142960 /nfs/dbraw/zinc/14/29/60/412142960.db2.gz SHKUZWWESRTAMV-LLVKDONJSA-N 2 0 221.304 1.082 20 0 BDADRP CC[C@H](COCC1CC1)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000665236058 412176083 /nfs/dbraw/zinc/17/60/83/412176083.db2.gz GKGRIOWAXINQQC-GXFFZTMASA-N 2 0 226.364 1.389 20 0 BDADRP OC/C=C\C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000665239024 412178395 /nfs/dbraw/zinc/17/83/95/412178395.db2.gz KGXHCKJDFAUYIR-HUZDROCFSA-N 2 0 238.375 1.435 20 0 BDADRP CC[C@H](C)CC[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000665237510 412178404 /nfs/dbraw/zinc/17/84/04/412178404.db2.gz CDDKAPGRRLPIGE-UMSGYPCISA-N 2 0 228.380 1.765 20 0 BDADRP Cc1ccncc1CC[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000665239721 412178412 /nfs/dbraw/zinc/17/84/12/412178412.db2.gz XZOXLIAMJGXKEF-STQMWFEESA-N 2 0 219.332 1.402 20 0 BDADRP Cc1ccncc1CC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000665238766 412178668 /nfs/dbraw/zinc/17/86/68/412178668.db2.gz DAXDBSVDUJGMQZ-NEPJUHHUSA-N 2 0 221.348 1.648 20 0 BDADRP Cc1ccncc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000665238800 412179043 /nfs/dbraw/zinc/17/90/43/412179043.db2.gz DRSUCFGTVSSRBV-YIONKMFJSA-N 2 0 245.370 1.805 20 0 BDADRP OC/C=C\C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000665238822 412181314 /nfs/dbraw/zinc/18/13/14/412181314.db2.gz FHRJUWKNMAAPBZ-AAQBHCMPSA-N 2 0 224.348 1.045 20 0 BDADRP C1C[C@H](N[C@H]2CC[NH2+]C2)[C@@H]([C@H]2CCCC[NH2+]2)C1 ZINC000665241191 412184311 /nfs/dbraw/zinc/18/43/11/412184311.db2.gz CUVQIXFCDNVPEE-DGAVXFQQSA-N 2 0 237.391 1.249 20 0 BDADRP C[C@H](NCC1([NH3+])CCCC1)[C@H]1CCCC[NH2+]1 ZINC000665246574 412190801 /nfs/dbraw/zinc/19/08/01/412190801.db2.gz JBOZLOCRVFUOLP-NWDGAFQWSA-N 2 0 225.380 1.378 20 0 BDADRP C[C@H](NCC1([NH3+])CCCC1)[C@@H]1CCCC[NH2+]1 ZINC000665246575 412191048 /nfs/dbraw/zinc/19/10/48/412191048.db2.gz JBOZLOCRVFUOLP-RYUDHWBXSA-N 2 0 225.380 1.378 20 0 BDADRP C[C@H]1C[C@H](NCC2([NH3+])CCCC2)CC[N@@H+]1C ZINC000665249075 412194898 /nfs/dbraw/zinc/19/48/98/412194898.db2.gz JEHOFVHNWXNJMI-NWDGAFQWSA-N 2 0 225.380 1.330 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@]1(C)CC1(F)F ZINC000665267571 412203743 /nfs/dbraw/zinc/20/37/43/412203743.db2.gz YSNYILBINLNILL-XHNCKOQMSA-N 2 0 206.280 1.747 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CCC(C)(C)F ZINC000665261951 412204443 /nfs/dbraw/zinc/20/44/43/412204443.db2.gz PGPAKVDIFJAYLB-SNVBAGLBSA-N 2 0 220.332 1.468 20 0 BDADRP CC[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000665261849 412204475 /nfs/dbraw/zinc/20/44/75/412204475.db2.gz NCFAYMQSUVPCPF-AAVRWANBSA-N 2 0 240.391 1.658 20 0 BDADRP C[C@H]([NH2+]CCC(C)(C)F)[C@H]1CCC[NH2+]1 ZINC000665261535 412204737 /nfs/dbraw/zinc/20/47/37/412204737.db2.gz FNDCHSRSOBPMRP-VHSXEESVSA-N 2 0 202.317 1.855 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCc2ccoc2)C1 ZINC000665263037 412205325 /nfs/dbraw/zinc/20/53/25/412205325.db2.gz DYSCCHFNNDZACW-VXGBXAGGSA-N 2 0 208.305 1.682 20 0 BDADRP C[C@@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1(F)F ZINC000665265564 412209402 /nfs/dbraw/zinc/20/94/02/412209402.db2.gz YJATZHISLJTOOW-IXMYILBSSA-N 2 0 230.302 1.904 20 0 BDADRP C[C@]1(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])CC1(F)F ZINC000665265020 412209463 /nfs/dbraw/zinc/20/94/63/412209463.db2.gz NXWNQBABLFRHPJ-KXUCPTDWSA-N 2 0 218.291 1.749 20 0 BDADRP C[C@@H](C[NH+]1CCC(C)CC1)N[C@@H](C)C1C[NH2+]C1 ZINC000665272446 412213588 /nfs/dbraw/zinc/21/35/88/412213588.db2.gz FOKNHGMUDPUNGJ-STQMWFEESA-N 2 0 239.407 1.304 20 0 BDADRP COC1CC(CC[NH2+][C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000665229930 412168787 /nfs/dbraw/zinc/16/87/87/412168787.db2.gz GPCSECNEXUXJJN-MMVSWEMESA-N 2 0 212.337 1.271 20 0 BDADRP Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000665273289 412214155 /nfs/dbraw/zinc/21/41/55/412214155.db2.gz TYFOESQNPAQCSD-IHRRRGAJSA-N 2 0 231.343 1.726 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(N)c1 ZINC000665231961 412170078 /nfs/dbraw/zinc/17/00/78/412170078.db2.gz CARMBKKACNYSJY-UWVGGRQHSA-N 2 0 207.321 1.484 20 0 BDADRP Nc1cccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])c1 ZINC000665232596 412170680 /nfs/dbraw/zinc/17/06/80/412170680.db2.gz PXPHDNYFWUBIBN-AAEUAGOBSA-N 2 0 219.332 1.486 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cccc(N)c1 ZINC000665232330 412170898 /nfs/dbraw/zinc/17/08/98/412170898.db2.gz KZDPIAJGBWBJID-NSHDSACASA-N 2 0 221.348 1.876 20 0 BDADRP Nc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000665233329 412172609 /nfs/dbraw/zinc/17/26/09/412172609.db2.gz DYIXRFMQGHXLDD-HUUCEWRRSA-N 2 0 245.370 1.985 20 0 BDADRP OC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CCC1 ZINC000665234663 412173421 /nfs/dbraw/zinc/17/34/21/412173421.db2.gz IJGAXOVFKXMPDL-SYQHCUMBSA-N 2 0 238.375 1.125 20 0 BDADRP CC[NH+](CC)CCCCNC(=O)CC1([NH3+])CC1 ZINC000662684435 412270542 /nfs/dbraw/zinc/27/05/42/412270542.db2.gz YSICTAAVBASWOA-UHFFFAOYSA-N 2 0 241.379 1.106 20 0 BDADRP Cc1cncc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000665274851 412217894 /nfs/dbraw/zinc/21/78/94/412217894.db2.gz ZPIKNZZAULSKPA-ONXXMXGDSA-N 2 0 246.358 1.200 20 0 BDADRP CCC[N@@H+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000665274718 412217996 /nfs/dbraw/zinc/21/79/96/412217996.db2.gz XAVLTGVQIYATHJ-RBKKPWLPSA-N 2 0 237.391 1.343 20 0 BDADRP CC[C@@H]1CCC[C@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665277942 412220504 /nfs/dbraw/zinc/22/05/04/412220504.db2.gz PYOYDBFKJIWMDY-QZQSVVMZSA-N 2 0 208.349 1.907 20 0 BDADRP COCC1CCC([NH2+]CC23CC(C2)C[NH2+]3)CC1 ZINC000665279840 412223087 /nfs/dbraw/zinc/22/30/87/412223087.db2.gz NKWGQYPALLPTCM-UHFFFAOYSA-N 2 0 238.375 1.533 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000665280515 412225012 /nfs/dbraw/zinc/22/50/12/412225012.db2.gz DXIAUCAKZSPSQL-QJPTWQEYSA-N 2 0 214.353 1.517 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000665280690 412225051 /nfs/dbraw/zinc/22/50/51/412225051.db2.gz JBXLTCHAIDZEEX-MRVWCRGKSA-N 2 0 239.407 1.432 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000665281450 412226265 /nfs/dbraw/zinc/22/62/65/412226265.db2.gz COXMATQAHJLJBG-RWMBFGLXSA-N 2 0 228.380 1.765 20 0 BDADRP CC[C@H]([NH2+]C)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000662579492 412227360 /nfs/dbraw/zinc/22/73/60/412227360.db2.gz VSAOUGJTPIUCCU-LBPRGKRZSA-N 2 0 235.331 1.390 20 0 BDADRP CO[C@H]1CCC[C@H]([NH2+]CC[C@@H]([NH3+])C(C)C)C1 ZINC000665282263 412227702 /nfs/dbraw/zinc/22/77/02/412227702.db2.gz UNJVIBZUDYWCHS-RWMBFGLXSA-N 2 0 228.380 1.907 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000665282241 412228215 /nfs/dbraw/zinc/22/82/15/412228215.db2.gz UFMGDXNWVMNSDO-YNEHKIRRSA-N 2 0 227.396 1.480 20 0 BDADRP C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000662953289 412353879 /nfs/dbraw/zinc/35/38/79/412353879.db2.gz LWIOEDXDYCHGEC-TUAOUCFPSA-N 2 0 241.379 1.008 20 0 BDADRP [NH3+]C1(CC(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000662785899 412301293 /nfs/dbraw/zinc/30/12/93/412301293.db2.gz RDMGNBUYECRURK-UHFFFAOYSA-N 2 0 231.299 1.110 20 0 BDADRP CCc1ccc(C[NH2+]CCN2CC[NH2+]CC2)cc1 ZINC000083377655 171805567 /nfs/dbraw/zinc/80/55/67/171805567.db2.gz NHYJXRJJGYNPRF-UHFFFAOYSA-N 2 0 247.386 1.244 20 0 BDADRP C[NH+](C)CC1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000336704690 172425291 /nfs/dbraw/zinc/42/52/91/172425291.db2.gz NKOFUBPYFMDFCY-AWEZNQCLSA-N 2 0 240.391 1.829 20 0 BDADRP C[NH+](C)CCCC[NH2+]CC1=CCCOC1 ZINC000309034379 172429572 /nfs/dbraw/zinc/42/95/72/172429572.db2.gz HFCJNNZZBUIXDH-UHFFFAOYSA-N 2 0 212.337 1.265 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000368463266 173026495 /nfs/dbraw/zinc/02/64/95/173026495.db2.gz UAYBWNTVYIGULL-MCIONIFRSA-N 2 0 238.375 1.628 20 0 BDADRP C[N@H+](CCC(C)(C)O)C[C@H]1CCC[NH+](C)C1 ZINC000360436471 173039271 /nfs/dbraw/zinc/03/92/71/173039271.db2.gz IVXUEQNTFZSKPY-LBPRGKRZSA-N 2 0 228.380 1.421 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+](CCO)C1CCC1 ZINC000336662440 173050580 /nfs/dbraw/zinc/05/05/80/173050580.db2.gz MRHPAYBFBMLQHS-LBPRGKRZSA-N 2 0 226.364 1.318 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH+]1C)[C@H](CO)C(C)(C)C ZINC000305704664 173050750 /nfs/dbraw/zinc/05/07/50/173050750.db2.gz XQIIPCANZNQTKP-QWHCGFSZSA-N 2 0 242.407 1.810 20 0 BDADRP C[N@@H+]1CCC[C@H]2C[NH+](CC3(C)COC3)CC[C@H]21 ZINC000336689568 173060061 /nfs/dbraw/zinc/06/00/61/173060061.db2.gz HSZZJYRTKZKMMF-QWHCGFSZSA-N 2 0 238.375 1.439 20 0 BDADRP C[N@@H+]1CCN(C[C@H]2CCC[NH2+]C2)C(C)(C)C1 ZINC000336053132 173084923 /nfs/dbraw/zinc/08/49/23/173084923.db2.gz ICLRDJOIZZEZSU-LBPRGKRZSA-N 2 0 225.380 1.012 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCOC2)[C@H]2CCC[C@@H]21 ZINC000353393273 173153062 /nfs/dbraw/zinc/15/30/62/173153062.db2.gz IMXIESDUTQLIEH-CRWXNKLISA-N 2 0 238.375 1.485 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCO2)[C@H]2CCC[C@@H]21 ZINC000353433994 173153567 /nfs/dbraw/zinc/15/35/67/173153567.db2.gz HZNYEXNYTPONCJ-CRWXNKLISA-N 2 0 238.375 1.628 20 0 BDADRP C[NH2+]CCN(C)c1cc[nH+]c2ccccc21 ZINC000053663872 173353834 /nfs/dbraw/zinc/35/38/34/173353834.db2.gz NFWLSEGALLYTJD-UHFFFAOYSA-N 2 0 215.300 1.890 20 0 BDADRP C[NH2+]C[C@@H](C)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000092132460 173362674 /nfs/dbraw/zinc/36/26/74/173362674.db2.gz OOLIZOUSMSZFIP-GFCCVEGCSA-N 2 0 243.395 1.077 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@H+](CCOC(C)C)C1 ZINC000049260911 173378452 /nfs/dbraw/zinc/37/84/52/173378452.db2.gz GWRAVWKYKAHMFB-GFCCVEGCSA-N 2 0 214.353 1.343 20 0 BDADRP C[NH2+]C[C@H]1CCCN1CCc1cccnc1 ZINC000133282749 173379806 /nfs/dbraw/zinc/37/98/06/173379806.db2.gz DCLIDXUGANAHMR-CYBMUJFWSA-N 2 0 219.332 1.308 20 0 BDADRP C[NH2+]C[C@H]1CCN(CC(=O)Nc2ccccc2)C1 ZINC000071146290 173380738 /nfs/dbraw/zinc/38/07/38/173380738.db2.gz SBILXJUUDMYWNJ-GFCCVEGCSA-N 2 0 247.342 1.166 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](CCc2ccc(OC)cc2)C1 ZINC000011892019 173381543 /nfs/dbraw/zinc/38/15/43/173381543.db2.gz OPSCRSBOSUFKJQ-CQSZACIVSA-N 2 0 248.370 1.779 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)[C@@H](C)[C@H](C)[NH3+])cc1 ZINC000295207355 173389100 /nfs/dbraw/zinc/38/91/00/173389100.db2.gz LCIWLLONEYKFSS-UWVGGRQHSA-N 2 0 235.331 1.328 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000295252219 173389201 /nfs/dbraw/zinc/38/92/01/173389201.db2.gz QKYJSGQQHPIUIW-VXGBXAGGSA-N 2 0 247.342 1.472 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)[C@@H]([NH3+])CC(C)C)c1 ZINC000237107573 173389400 /nfs/dbraw/zinc/38/94/00/173389400.db2.gz CUNXTXCFZHWQJI-ZDUSSCGKSA-N 2 0 249.358 1.718 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)[C@H]2CCCC[NH2+]2)c1 ZINC000237231857 173389430 /nfs/dbraw/zinc/38/94/30/173389430.db2.gz LUNYRRCDOUARNW-CYBMUJFWSA-N 2 0 247.342 1.487 20 0 BDADRP CC[NH2+]CCC[NH2+][C@H]1C[C@@H](OCC)C12CCC2 ZINC000564822259 322930823 /nfs/dbraw/zinc/93/08/23/322930823.db2.gz JHZAAUBEBFFVBM-QWHCGFSZSA-N 2 0 240.391 1.923 20 0 BDADRP COC1(C[NH2+]CC2CC[NH+](C)CC2)CCCC1 ZINC000310544783 174001585 /nfs/dbraw/zinc/00/15/85/174001585.db2.gz DGKGALRYMCDNCW-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP COC1CC([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000336763118 174018024 /nfs/dbraw/zinc/01/80/24/174018024.db2.gz LYZODQQINQNOAQ-IGJPJIBNSA-N 2 0 226.364 1.626 20 0 BDADRP COC1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000062911156 174028050 /nfs/dbraw/zinc/02/80/50/174028050.db2.gz QPBQNIVLAFMOSD-GFCCVEGCSA-N 2 0 212.337 1.097 20 0 BDADRP COC1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000051918989 174028362 /nfs/dbraw/zinc/02/83/62/174028362.db2.gz RVVCUSJZSGCEKE-LBPRGKRZSA-N 2 0 226.364 1.487 20 0 BDADRP COCC1(C[NH2+]C[C@H]2C[C@@H]2C)CC[NH2+]CC1 ZINC000234712912 174104180 /nfs/dbraw/zinc/10/41/80/174104180.db2.gz HOSPFNJABALIJQ-NWDGAFQWSA-N 2 0 226.364 1.248 20 0 BDADRP COCCCCC[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000300360429 174176956 /nfs/dbraw/zinc/17/69/56/174176956.db2.gz YJVBPVVAPZAPNA-NEPJUHHUSA-N 2 0 214.353 1.472 20 0 BDADRP COCCCCC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357072313 174180223 /nfs/dbraw/zinc/18/02/23/174180223.db2.gz HDKRAXKPXKFDTA-QWHCGFSZSA-N 2 0 226.364 1.344 20 0 BDADRP COCC[N@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000123095619 174282188 /nfs/dbraw/zinc/28/21/88/174282188.db2.gz UFQWBGWFGHEPGW-WDEREUQCSA-N 2 0 200.326 1.047 20 0 BDADRP COCC[N@H+](CC(C)C)C[C@H]1CCC[NH2+]C1 ZINC000042370819 174286998 /nfs/dbraw/zinc/28/69/98/174286998.db2.gz ZBPKUTIGAPABQB-ZDUSSCGKSA-N 2 0 228.380 1.590 20 0 BDADRP COCC[C@@H](C)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352534990 174379095 /nfs/dbraw/zinc/37/90/95/174379095.db2.gz KXQJBTXWDOJBHO-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])C(C)C ZINC000362977212 174868500 /nfs/dbraw/zinc/86/85/00/174868500.db2.gz PLKXQJCIYVGDEK-YNEHKIRRSA-N 2 0 228.380 1.765 20 0 BDADRP COc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000011891314 175102557 /nfs/dbraw/zinc/10/25/57/175102557.db2.gz KEXJSQLYGNSPTM-LBPRGKRZSA-N 2 0 220.316 1.476 20 0 BDADRP COc1ccc(C[NH2+]CCCC[NH3+])cc1OC ZINC000037714619 175106417 /nfs/dbraw/zinc/10/64/17/175106417.db2.gz FVYWMEKUKVEMOJ-UHFFFAOYSA-N 2 0 238.331 1.532 20 0 BDADRP COc1cccc([C@H](C)[NH2+]C[C@@H](C)C[NH3+])c1 ZINC000336686208 175293549 /nfs/dbraw/zinc/29/35/49/175293549.db2.gz UQCKTLZEAJDSHV-QWRGUYRKSA-N 2 0 222.332 1.941 20 0 BDADRP COc1ccccc1CC[NH2+][C@H]1CCN(C)C1 ZINC000076681130 175323742 /nfs/dbraw/zinc/32/37/42/175323742.db2.gz XWSOPQRVSJORSV-ZDUSSCGKSA-N 2 0 234.343 1.531 20 0 BDADRP COC[C@@H](C)C[NH2+]CC1([NH3+])CCCCC1 ZINC000556934311 322931518 /nfs/dbraw/zinc/93/15/18/322931518.db2.gz UPWADBQGRJKKCI-NSHDSACASA-N 2 0 214.353 1.520 20 0 BDADRP C[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000037863098 176123449 /nfs/dbraw/zinc/12/34/49/176123449.db2.gz QKERXBLQQZVXJC-MCIONIFRSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000216234078 176131688 /nfs/dbraw/zinc/13/16/88/176131688.db2.gz XTFVKYMDULVXIH-UPJWGTAASA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@@H]2CCCC[NH+]2C)C[C@H]1O ZINC000300414638 176169397 /nfs/dbraw/zinc/16/93/97/176169397.db2.gz NSPWEFBBXKTKHM-HZSPNIEDSA-N 2 0 240.391 1.564 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)O1 ZINC000370722863 176224341 /nfs/dbraw/zinc/22/43/41/176224341.db2.gz UNWDUZXSTGOVJL-MGPQQGTHSA-N 2 0 240.391 1.970 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)O1 ZINC000336713023 176224837 /nfs/dbraw/zinc/22/48/37/176224837.db2.gz OCHACNPZQKRABO-MCIONIFRSA-N 2 0 238.375 1.582 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000305118722 176269958 /nfs/dbraw/zinc/26/99/58/176269958.db2.gz GIQLZURUDCBUDA-MQYQWHSLSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCOCC1CC1 ZINC000359614573 176270483 /nfs/dbraw/zinc/27/04/83/176270483.db2.gz BHQYLRYRRSOQRP-TZMCWYRMSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1ccncc1 ZINC000048261844 176277947 /nfs/dbraw/zinc/27/79/47/176277947.db2.gz VNXMALUFBDMGFM-NFAWXSAZSA-N 2 0 247.386 1.942 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](CO)C1CC1 ZINC000353484280 176278420 /nfs/dbraw/zinc/27/84/20/176278420.db2.gz JGKVKPHUXWZPFG-OXHZDVMGSA-N 2 0 240.391 1.323 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@]1(C)CCOC1 ZINC000361401053 176278448 /nfs/dbraw/zinc/27/84/48/176278448.db2.gz UYLGNUZIYYVCEN-MQYQWHSLSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@@H]1C[N@H+](CCC[NH+]2CCCCC2)C[C@@H]1CO ZINC000362073478 176289110 /nfs/dbraw/zinc/28/91/10/176289110.db2.gz WYAHLRMOTRRBFA-ZIAGYGMSSA-N 2 0 240.391 1.423 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@H]2CCCO2)CC[C@H]1[NH3+] ZINC000251694896 176294698 /nfs/dbraw/zinc/29/46/98/176294698.db2.gz IMXDXAUKJSDLQD-IJLUTSLNSA-N 2 0 212.337 1.225 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)CCCO1 ZINC000251663815 176299789 /nfs/dbraw/zinc/29/97/89/176299789.db2.gz GZZXPBBUQKJQTN-NEPJUHHUSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)CCS1 ZINC000123479003 176302030 /nfs/dbraw/zinc/30/20/30/176302030.db2.gz MZPWLMOHSKYRQO-GHMZBOCLSA-N 2 0 214.378 1.423 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cccnc2)C[C@@]1(C)C[NH3+] ZINC000309480604 176308076 /nfs/dbraw/zinc/30/80/76/176308076.db2.gz ZHLUDIOQGHFJSO-DGCLKSJQSA-N 2 0 219.332 1.498 20 0 BDADRP C[C@@H]1CSC[C@H]1[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000336773820 176354729 /nfs/dbraw/zinc/35/47/29/176354729.db2.gz ZFRSRHNHIQRAAK-GRYCIOLGSA-N 2 0 228.405 1.812 20 0 BDADRP C[C@@H]1CSC[C@H]1[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000304581787 176356078 /nfs/dbraw/zinc/35/60/78/176356078.db2.gz YLYIQEXMIBTMBT-NQBHXWOUSA-N 2 0 240.416 1.812 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CSC[C@H]1C ZINC000308446371 176356271 /nfs/dbraw/zinc/35/62/71/176356271.db2.gz ASDIPOUEEWVXHH-GMTAPVOTSA-N 2 0 216.394 1.668 20 0 BDADRP C[NH2+]CCC[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000228394386 487633590 /nfs/dbraw/zinc/63/35/90/487633590.db2.gz HVOLDBHWWRJIRC-LBPRGKRZSA-N 2 0 234.343 1.752 20 0 BDADRP C[C@@H]1C[C@@H](C)[N@H+](C[C@@H](O)CN(C)C2CC2)C1 ZINC000336644266 176363158 /nfs/dbraw/zinc/36/31/58/176363158.db2.gz CDACBSYHSJCCCB-WZRBSPASSA-N 2 0 226.364 1.172 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCCN2CC[NH+](C)CC2)[C@@H]1C ZINC000310516911 176374987 /nfs/dbraw/zinc/37/49/87/176374987.db2.gz MOZSUCVUMXMFJB-MGPQQGTHSA-N 2 0 239.407 1.258 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCSC2)CC[N@@H+]1C ZINC000300234468 176375972 /nfs/dbraw/zinc/37/59/72/176375972.db2.gz VCDSWLSTSXNZJF-UTUOFQBUSA-N 2 0 228.405 1.812 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCOC2)CC[N@@H+]1C ZINC000336728131 176376351 /nfs/dbraw/zinc/37/63/51/176376351.db2.gz CIUYYDMVPBTAFL-FRRDWIJNSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H](C[NH3+])N(C)C(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000262607259 176560104 /nfs/dbraw/zinc/56/01/04/176560104.db2.gz TXSJXOPDTZCSMI-MDZLAQPJSA-N 2 0 249.358 1.128 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C1Cc2ccccc2C1 ZINC000336682035 176620093 /nfs/dbraw/zinc/62/00/93/176620093.db2.gz YKTAWCQYZGUZAG-LLVKDONJSA-N 2 0 218.344 1.871 20 0 BDADRP C[C@H]([NH2+]CCC[NH+](C)C)[C@H]1CCCOC1 ZINC000309088229 176843373 /nfs/dbraw/zinc/84/33/73/176843373.db2.gz AFPNEIYTBQNUKE-RYUDHWBXSA-N 2 0 214.353 1.343 20 0 BDADRP C[C@H]1CCCC[N@@H+]1CCCNC1CC[NH2+]CC1 ZINC000038040546 177075310 /nfs/dbraw/zinc/07/53/10/177075310.db2.gz SPTMIHQLYFZYMV-ZDUSSCGKSA-N 2 0 239.407 1.593 20 0 BDADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CCCCCC[NH3+] ZINC000186661652 177174713 /nfs/dbraw/zinc/17/47/13/177174713.db2.gz WNTKPMVNIKVFEH-RYUDHWBXSA-N 2 0 241.379 1.010 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC(C)(C)CCCO ZINC000357839233 177233548 /nfs/dbraw/zinc/23/35/48/177233548.db2.gz HUKKCHGERCXPMP-QWHCGFSZSA-N 2 0 242.407 1.715 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCC1(O)CCC1 ZINC000336676998 177233600 /nfs/dbraw/zinc/23/36/00/177233600.db2.gz BICKYZBRCVMHID-NWDGAFQWSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1NCC(C)(C)C[NH+](C)C ZINC000359364971 177235108 /nfs/dbraw/zinc/23/51/08/177235108.db2.gz PFZHDVRYURFJLX-QWHCGFSZSA-N 2 0 241.423 1.504 20 0 BDADRP C[C@H]1C[N@H+](CC2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000223223558 177247025 /nfs/dbraw/zinc/24/70/25/177247025.db2.gz ONCCOLGQBLIQFL-QWRGUYRKSA-N 2 0 212.337 1.095 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccc3c[nH]nc3c2)CC[C@@H]1[NH3+] ZINC000336537748 177263148 /nfs/dbraw/zinc/26/31/48/177263148.db2.gz IEBAYBHRRZGWPX-GWCFXTLKSA-N 2 0 244.342 1.732 20 0 BDADRP C[C@H]1CSC[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000335587794 177306049 /nfs/dbraw/zinc/30/60/49/177306049.db2.gz YAXHCJKRCBKYCH-JQWIXIFHSA-N 2 0 228.405 1.669 20 0 BDADRP C[C@H]1C[C@@H](C[N@H+](C)Cc2ccncc2)CC[NH2+]1 ZINC000235698009 177323767 /nfs/dbraw/zinc/32/37/67/177323767.db2.gz YUYTXUUWKAKWLV-JSGCOSHPSA-N 2 0 233.359 1.902 20 0 BDADRP C[C@H]1C[C@@H](C[N@H+](C)Cc2nccn2C)CC[NH2+]1 ZINC000235698177 177323853 /nfs/dbraw/zinc/32/38/53/177323853.db2.gz RRYWZNJHCXTATK-RYUDHWBXSA-N 2 0 236.363 1.240 20 0 BDADRP C[C@H]1C[C@@H](C[N@H+](C)Cc2cscn2)CC[NH2+]1 ZINC000235698156 177324118 /nfs/dbraw/zinc/32/41/18/177324118.db2.gz DKNZABGOQMHYJH-QWRGUYRKSA-N 2 0 239.388 1.963 20 0 BDADRP C[C@H]1C[C@H](C[N@H+](C)CCc2ccncc2)CC[NH2+]1 ZINC000235723739 177360980 /nfs/dbraw/zinc/36/09/80/177360980.db2.gz HANPSVVASNAOPF-DZGCQCFKSA-N 2 0 247.386 1.944 20 0 BDADRP C[C@H]1C[C@H](C[NH+]2CCC([NH+](C)C)CC2)CC[NH2+]1 ZINC000235661483 177362714 /nfs/dbraw/zinc/36/27/14/177362714.db2.gz NKQKUGNGRXWKKA-QWHCGFSZSA-N 3 0 239.407 1.401 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC2(CCO)CCC2)CC[N@@H+]1C ZINC000358314110 177369265 /nfs/dbraw/zinc/36/92/65/177369265.db2.gz FAMIASFSXBLLBT-QWHCGFSZSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@H]1C[C@H]([NH2+]Cc2ccccc2)CC[NH2+]1 ZINC000073657628 177370481 /nfs/dbraw/zinc/37/04/81/177370481.db2.gz CPEGPWYNJYLPJR-WCQYABFASA-N 2 0 204.317 1.917 20 0 BDADRP C[C@H](CCN1CCOCC1)[NH2+]C[C@@H]1C[C@@H]1C ZINC000309514728 177381564 /nfs/dbraw/zinc/38/15/64/177381564.db2.gz YIKVQPPKQRISPV-XQQFMLRXSA-N 2 0 226.364 1.343 20 0 BDADRP C[C@H]1Cc2ccccc2C[N@@H+]1CCC[NH3+] ZINC000082791056 177389707 /nfs/dbraw/zinc/38/97/07/177389707.db2.gz MNVVJXZMRZPVJE-NSHDSACASA-N 2 0 204.317 1.782 20 0 BDADRP COC[C@H](C)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225713187 487638298 /nfs/dbraw/zinc/63/82/98/487638298.db2.gz RLWNKAQYLLBYLB-MCIONIFRSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H](C[NH2+]C[C@H]1CC[NH2+]C1)CC1CCOCC1 ZINC000414917637 224740180 /nfs/dbraw/zinc/74/01/80/224740180.db2.gz SCUTXJZGFLVZHL-JSGCOSHPSA-N 2 0 240.391 1.638 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000486932685 225274336 /nfs/dbraw/zinc/27/43/36/225274336.db2.gz HHKXHKQTALDFGJ-CHWSQXEVSA-N 2 0 242.407 1.979 20 0 BDADRP COC[C@]1(C)CC[N@H+](CCn2ccnc2)C1 ZINC000487047937 225283557 /nfs/dbraw/zinc/28/35/57/225283557.db2.gz RUCGQHNBAXYHFO-GFCCVEGCSA-N 2 0 223.320 1.242 20 0 BDADRP C[C@@H]1C[C@H]([NH+]2CCC(C[NH+](C)C)CC2)CCO1 ZINC000335545665 487644595 /nfs/dbraw/zinc/64/45/95/487644595.db2.gz XAQOXVTZZULCFV-TZMCWYRMSA-N 2 0 240.391 1.828 20 0 BDADRP C[C@H]1C[C@H]1C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000488426596 225395756 /nfs/dbraw/zinc/39/57/56/225395756.db2.gz WKEKIPQJCYZESO-STQMWFEESA-N 2 0 239.407 1.258 20 0 BDADRP C[C@]1(CO)CCC[C@H]1[NH2+]CCN1CCCCC1 ZINC000493631540 226246994 /nfs/dbraw/zinc/24/69/94/226246994.db2.gz CZJQWVWFRHHXDA-ZIAGYGMSSA-N 2 0 240.391 1.613 20 0 BDADRP COCC(C)(C)C[NH2+]CCC1CC[NH+](C)CC1 ZINC000494067511 226260342 /nfs/dbraw/zinc/26/03/42/226260342.db2.gz AXKMWVWTPDKSBE-UHFFFAOYSA-N 2 0 242.407 1.981 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCC[C@H]1CCOC1 ZINC000400541959 226345983 /nfs/dbraw/zinc/34/59/83/226345983.db2.gz KUKJULOLJIJHHQ-RDBSUJKOSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H](CO)C1)[C@H]1CCC[NH2+]1 ZINC000400728268 226350356 /nfs/dbraw/zinc/35/03/56/226350356.db2.gz PXMQFUQJIJENSZ-UMSGYPCISA-N 2 0 226.364 1.268 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000400905043 226352241 /nfs/dbraw/zinc/35/22/41/226352241.db2.gz AGKBKJGHTWTPFO-WKSBVSIWSA-N 2 0 208.349 1.763 20 0 BDADRP CC[NH+](CC)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC000343503425 487664906 /nfs/dbraw/zinc/66/49/06/487664906.db2.gz FQFDIAVGBBKLAP-GFCCVEGCSA-N 2 0 243.395 1.173 20 0 BDADRP Cn1cncc1CCC[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000314870752 487668925 /nfs/dbraw/zinc/66/89/25/487668925.db2.gz KHUXQGWFOYXQBT-CYBMUJFWSA-N 2 0 236.363 1.023 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2C[NH3+])CS1 ZINC000397773848 262745707 /nfs/dbraw/zinc/74/57/07/262745707.db2.gz AGLUDGGQXYNYPL-NOOOWODRSA-N 2 0 228.405 1.988 20 0 BDADRP Cc1cccnc1CC[NH2+][C@H](C)CCC[NH3+] ZINC000404827145 229424435 /nfs/dbraw/zinc/42/44/35/229424435.db2.gz GBZYYYUGCYHPTL-GFCCVEGCSA-N 2 0 221.348 1.650 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1[C@H](C)CCC[C@@H]1C ZINC000383926243 487682181 /nfs/dbraw/zinc/68/21/81/487682181.db2.gz DSRQGENTWMCAQP-HZSPNIEDSA-N 2 0 242.407 1.950 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCOC1)C1CC[NH+](C)CC1 ZINC000087783985 487685000 /nfs/dbraw/zinc/68/50/00/487685000.db2.gz PGXMRHMAFUXDLL-CMPLNLGQSA-N 2 0 212.337 1.095 20 0 BDADRP Cc1cncc(C[NH+]2CCC([C@H](C)[NH3+])CC2)c1 ZINC000228619575 487695022 /nfs/dbraw/zinc/69/50/22/487695022.db2.gz LJPKMSLTVZIHCI-LBPRGKRZSA-N 2 0 233.359 1.949 20 0 BDADRP Cc1cc(C)c(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cn1 ZINC000396973371 262829849 /nfs/dbraw/zinc/82/98/49/262829849.db2.gz IFPUXHSPNCWFIP-OCCSQVGLSA-N 2 0 233.359 1.915 20 0 BDADRP CCCN1CC[C@@H]([NH2+]C[C@H](C)COC)C1 ZINC000328533600 487706678 /nfs/dbraw/zinc/70/66/78/487706678.db2.gz ZCVQBORUDPGVQN-NWDGAFQWSA-N 2 0 214.353 1.343 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH2+]C1(CO)CCCCC1 ZINC000678972630 487715056 /nfs/dbraw/zinc/71/50/56/487715056.db2.gz OETRZCXXOYWDSC-ZDUSSCGKSA-N 2 0 240.391 1.756 20 0 BDADRP COCC[C@@H](C)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000336717773 487720916 /nfs/dbraw/zinc/72/09/16/487720916.db2.gz YHQAWUMSEZQVSP-NEPJUHHUSA-N 2 0 212.337 1.097 20 0 BDADRP COCC[C@H](C)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000336717781 487721220 /nfs/dbraw/zinc/72/12/20/487721220.db2.gz YHQAWUMSEZQVSP-RYUDHWBXSA-N 2 0 212.337 1.097 20 0 BDADRP C([NH2+][C@@H]1CCC12CCC2)C1CC[NH2+]CC1 ZINC000570953484 487731514 /nfs/dbraw/zinc/73/15/14/487731514.db2.gz CNSWAHUVORBYPL-GFCCVEGCSA-N 2 0 208.349 1.908 20 0 BDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)CC1([NH3+])CCC1 ZINC000226397238 487731388 /nfs/dbraw/zinc/73/13/88/487731388.db2.gz IFUKYRHLCVZSKX-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP C([C@H]1CC[NH2+]C1)[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000251340256 487754663 /nfs/dbraw/zinc/75/46/63/487754663.db2.gz QALHXJGVPDMIGJ-XQQFMLRXSA-N 2 0 208.349 1.860 20 0 BDADRP C([C@@H]1CC[NH2+]C1)[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000251340254 487754804 /nfs/dbraw/zinc/75/48/04/487754804.db2.gz QALHXJGVPDMIGJ-UPJWGTAASA-N 2 0 208.349 1.860 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ncc[nH]1 ZINC000414189214 487797369 /nfs/dbraw/zinc/79/73/69/487797369.db2.gz QQNIGMCLKKBXQO-RYUDHWBXSA-N 2 0 236.363 1.792 20 0 BDADRP CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)CC1CC1 ZINC000309238387 487801107 /nfs/dbraw/zinc/80/11/07/487801107.db2.gz KAAUKSSVCYQVQM-ZDUSSCGKSA-N 2 0 228.380 1.419 20 0 BDADRP C[C@H]([NH2+]CCC(C)(C)CO)C1CC[NH+](C)CC1 ZINC000385883512 487812273 /nfs/dbraw/zinc/81/22/73/487812273.db2.gz LOGRWJFQJFMQDU-LBPRGKRZSA-N 2 0 242.407 1.715 20 0 BDADRP [NH3+]CCC[N@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000414704878 487818873 /nfs/dbraw/zinc/81/88/73/487818873.db2.gz DPGBUURULUXFKY-HNNXBMFYSA-N 2 0 248.370 1.608 20 0 BDADRP C[C@@H]1CC[N@H+](CCC[NH3+])C[C@H]1n1ccnc1 ZINC000414709020 487819414 /nfs/dbraw/zinc/81/94/14/487819414.db2.gz OKPLVPBWFGQAKQ-VXGBXAGGSA-N 2 0 222.336 1.115 20 0 BDADRP C[C@H]1C[C@H](c2cccnc2)[N@H+](CCC[NH3+])C1 ZINC000414748524 487821359 /nfs/dbraw/zinc/82/13/59/487821359.db2.gz WRDYGDWUMHDZGH-WCQYABFASA-N 2 0 219.332 1.813 20 0 BDADRP CCOCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252419310 487824130 /nfs/dbraw/zinc/82/41/30/487824130.db2.gz YYIFFNWWCIKGGI-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC[NH2+]1 ZINC000414913985 487827491 /nfs/dbraw/zinc/82/74/91/487827491.db2.gz JYVWYQVMODBNFC-FVCCEPFGSA-N 3 0 225.380 1.234 20 0 BDADRP CCc1nn(C)cc1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252792465 487834248 /nfs/dbraw/zinc/83/42/48/487834248.db2.gz VNXORVDSBRUFLW-WDEREUQCSA-N 2 0 236.363 1.152 20 0 BDADRP CCc1ccccc1[C@@H]([NH3+])CNCCC[NH3+] ZINC000415063276 487835166 /nfs/dbraw/zinc/83/51/66/487835166.db2.gz HNSWIVCZYUWEAI-ZDUSSCGKSA-N 2 0 221.348 1.187 20 0 BDADRP O[C@H](C[NH2+][C@@H]1CC[C@H]2C[C@H]2C1)C[NH+]1CCCC1 ZINC000403626091 322947299 /nfs/dbraw/zinc/94/72/99/322947299.db2.gz LXIIVVJQGCLEMQ-IGQOVBAYSA-N 2 0 238.375 1.221 20 0 BDADRP CC[C@H]1C[N@H+](CCCCOC)CC[C@H]1[NH3+] ZINC000252874085 487837172 /nfs/dbraw/zinc/83/71/72/487837172.db2.gz VWBGBWSKSPZLEW-NWDGAFQWSA-N 2 0 214.353 1.472 20 0 BDADRP C[C@H]1C[C@@H](C[N@H+](CCCO)C2CC2)CC[NH2+]1 ZINC000666640274 487848613 /nfs/dbraw/zinc/84/86/13/487848613.db2.gz RDZBRWVLQXNRSC-RYUDHWBXSA-N 2 0 226.364 1.221 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+]C1(CO)CCCCC1 ZINC000666654900 487851762 /nfs/dbraw/zinc/85/17/62/487851762.db2.gz CVPYBOZGVNVLOT-LBPRGKRZSA-N 2 0 228.380 1.645 20 0 BDADRP [NH3+]CCC[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000666689055 487860653 /nfs/dbraw/zinc/86/06/53/487860653.db2.gz XDXQFFLIUFEFNZ-ZDUSSCGKSA-N 2 0 220.316 1.878 20 0 BDADRP Cc1cn2c(n1)CN(C[C@@H]1CC[NH2+][C@H](C)C1)CC2 ZINC000666699041 487861640 /nfs/dbraw/zinc/86/16/40/487861640.db2.gz CFFCDUCNLVGHPO-DGCLKSJQSA-N 2 0 248.374 1.395 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(C)o1 ZINC000234730167 487869238 /nfs/dbraw/zinc/86/92/38/487869238.db2.gz CWLKQKZEBLULPI-LLVKDONJSA-N 2 0 226.320 1.432 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)C1CCC1 ZINC000234747732 487870728 /nfs/dbraw/zinc/87/07/28/487870728.db2.gz ZDJDVKQOTHCEAS-ZYHUDNBSSA-N 2 0 214.353 1.519 20 0 BDADRP C(CN1C[C@@H]2C[NH2+]C[C@H]2C1)C[NH+]1CCCCC1 ZINC000682027636 487881934 /nfs/dbraw/zinc/88/19/34/487881934.db2.gz DKNWEODJWVYFQI-KBPBESRZSA-N 2 0 237.391 1.014 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]Cc1cccc2cnccc21 ZINC000666826184 487887089 /nfs/dbraw/zinc/88/70/89/487887089.db2.gz PVYJVQZSJMWUMQ-LLVKDONJSA-N 2 0 229.327 1.919 20 0 BDADRP CCOC[C@@H](C)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666953550 487915234 /nfs/dbraw/zinc/91/52/34/487915234.db2.gz BBKKSDLRZUVQAJ-MNOVXSKESA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H](CC1CC1)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666953780 487916124 /nfs/dbraw/zinc/91/61/24/487916124.db2.gz HVOIEFCVJYTMST-PWSUYJOCSA-N 2 0 208.349 1.907 20 0 BDADRP COCC(C)(C)C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666955422 487916890 /nfs/dbraw/zinc/91/68/90/487916890.db2.gz JBJLINVOCMADRG-NSHDSACASA-N 2 0 226.364 1.391 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]CC2CC[NH2+]CC2)CC1 ZINC000094009633 487916441 /nfs/dbraw/zinc/91/64/41/487916441.db2.gz LDVCKMWRJNKETE-UHFFFAOYSA-N 3 0 239.407 1.448 20 0 BDADRP COC[C@@H](C)C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666993786 487923928 /nfs/dbraw/zinc/92/39/28/487923928.db2.gz JVSFHRIJMRTNBY-RYUDHWBXSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](Cc2cc3n(n2)CCC3)CC1 ZINC000652335916 487924671 /nfs/dbraw/zinc/92/46/71/487924671.db2.gz QWNBQQBLZXFVBO-NSHDSACASA-N 2 0 248.374 1.389 20 0 BDADRP CC[C@H]1C[N@H+](CC2CCOCC2)CC[C@@H]1[NH3+] ZINC000157895186 487927858 /nfs/dbraw/zinc/92/78/58/487927858.db2.gz CDUMVBXKIJGCDL-STQMWFEESA-N 2 0 226.364 1.472 20 0 BDADRP CC(C)O[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000404662946 487930961 /nfs/dbraw/zinc/93/09/61/487930961.db2.gz XHHAILUZVBISLW-ZIAGYGMSSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)C1CC[NH+](C)CC1 ZINC000396443712 487933588 /nfs/dbraw/zinc/93/35/88/487933588.db2.gz APNAUCCACIYWCS-MRVWCRGKSA-N 2 0 240.391 1.610 20 0 BDADRP FC1(F)C[C@@]12CC[N@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000652364402 487934092 /nfs/dbraw/zinc/93/40/92/487934092.db2.gz MUIURQIFUCKPNC-WDEREUQCSA-N 2 0 230.302 1.717 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CC1CC[NH2+]CC1 ZINC000564970000 322983987 /nfs/dbraw/zinc/98/39/87/322983987.db2.gz HDUODAAIPPJDLF-NSHDSACASA-N 3 0 213.369 1.093 20 0 BDADRP CC(C)[C@@H](CCO)[NH2+]CCC[NH+]1CCCCC1 ZINC000119081912 322989789 /nfs/dbraw/zinc/98/97/89/322989789.db2.gz NXBFSMHZHSGHFK-CQSZACIVSA-N 2 0 242.407 1.859 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000566481107 323001191 /nfs/dbraw/zinc/00/11/91/323001191.db2.gz ADPCIRKDIGVAQC-RFQIPJPRSA-N 2 0 237.391 1.234 20 0 BDADRP CC[NH2+]CCC[NH2+][C@@H](C)Cc1ccoc1 ZINC000564722720 323007525 /nfs/dbraw/zinc/00/75/25/323007525.db2.gz QYYPTZVSPUVJPI-NSHDSACASA-N 2 0 210.321 1.800 20 0 BDADRP COc1ccc2c(c1)CCC[N@@H+](CCC[NH3+])C2 ZINC000562746248 323029813 /nfs/dbraw/zinc/02/98/13/323029813.db2.gz DYICJYMDXCVHDO-UHFFFAOYSA-N 2 0 234.343 1.792 20 0 BDADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@H]([NH3+])CC ZINC000562808924 323031083 /nfs/dbraw/zinc/03/10/83/323031083.db2.gz ZFPOURVGTKJIMI-CHWSQXEVSA-N 2 0 249.358 1.102 20 0 BDADRP CCC(O)(CC)CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000565224943 323034384 /nfs/dbraw/zinc/03/43/84/323034384.db2.gz ATVVGTFGULODFO-RYUDHWBXSA-N 2 0 228.380 1.787 20 0 BDADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000562962864 323036730 /nfs/dbraw/zinc/03/67/30/323036730.db2.gz UUZMCCOCFUTKAS-MDZLAQPJSA-N 2 0 248.374 1.657 20 0 BDADRP C[C@@H](CCCC[NH3+])NC(=O)c1ccc(C[NH3+])cc1 ZINC000569926842 323044660 /nfs/dbraw/zinc/04/46/60/323044660.db2.gz WOVRRQOUQVYZHK-NSHDSACASA-N 2 0 249.358 1.393 20 0 BDADRP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000570792707 323070516 /nfs/dbraw/zinc/07/05/16/323070516.db2.gz ISTRILRJFAXBCM-FIQHERPVSA-N 2 0 226.364 1.395 20 0 BDADRP CC[NH+](CC)CCCN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000221675604 323090894 /nfs/dbraw/zinc/09/08/94/323090894.db2.gz PSPOBDYMHQGCPN-KBPBESRZSA-N 2 0 241.423 1.791 20 0 BDADRP C[C@H]1[NH2+]CC[C@H]1c1nc(C2([NH3+])CCCC2)no1 ZINC000563120912 323093511 /nfs/dbraw/zinc/09/35/11/323093511.db2.gz MWTHTTTURCJXFO-RKDXNWHRSA-N 2 0 236.319 1.263 20 0 BDADRP Cc1cc(C[NH2+][C@@H](C)CCC[NH3+])ccn1 ZINC000391188229 323099492 /nfs/dbraw/zinc/09/94/92/323099492.db2.gz OCDZGNUHOKWDFJ-JTQLQIEISA-N 2 0 207.321 1.607 20 0 BDADRP C[C@@H](Cc1ccsc1)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000563452663 323127104 /nfs/dbraw/zinc/12/71/04/323127104.db2.gz WFGHMYUBSFTWCI-OHBODLIOSA-N 2 0 222.357 1.487 20 0 BDADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H](C)O)C1 ZINC000563528761 323129094 /nfs/dbraw/zinc/12/90/94/323129094.db2.gz FAAJUUOQQIWFKI-JHJVBQTASA-N 2 0 228.380 1.323 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1ccc(C[NH3+])cc1 ZINC000571089338 323135463 /nfs/dbraw/zinc/13/54/63/323135463.db2.gz RSORCPMLGBYZCR-NXEZZACHSA-N 2 0 235.331 1.001 20 0 BDADRP COCC[NH2+]C1CC[NH+](CCCCCF)CC1 ZINC000571172193 323137522 /nfs/dbraw/zinc/13/75/22/323137522.db2.gz PYVMECQSOKAUBR-UHFFFAOYSA-N 2 0 246.370 1.827 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C1 ZINC000571225900 323138688 /nfs/dbraw/zinc/13/86/88/323138688.db2.gz DTNCPASGLWPPQV-STQMWFEESA-N 3 0 244.342 1.694 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(CCO)CC2)[C@@H](C)C1 ZINC000249777565 323139953 /nfs/dbraw/zinc/13/99/53/323139953.db2.gz CJLGCCPOVOYNCQ-QWHCGFSZSA-N 2 0 240.391 1.469 20 0 BDADRP Nc1ncc(C[NH+]2CCC(CC[NH3+])CC2)s1 ZINC000571451118 323145104 /nfs/dbraw/zinc/14/51/04/323145104.db2.gz JUWKINLDBGBRIY-UHFFFAOYSA-N 2 0 240.376 1.116 20 0 BDADRP CC(C)[NH2+]CCC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000571560630 323147964 /nfs/dbraw/zinc/14/79/64/323147964.db2.gz NPIHLWWMSBSUPD-VXGBXAGGSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@@H](C[NH3+])C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000571551648 323148190 /nfs/dbraw/zinc/14/81/90/323148190.db2.gz RHFXEINZTNATGV-WCQYABFASA-N 2 0 249.358 1.178 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CCCN(CC[NH2+]C(C)(C)C)C1 ZINC000414659024 323151097 /nfs/dbraw/zinc/15/10/97/323151097.db2.gz MGHNMIRFCRPCOE-NEPJUHHUSA-N 2 0 227.396 1.434 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CC[NH2+]1 ZINC000414668580 323151163 /nfs/dbraw/zinc/15/11/63/323151163.db2.gz JILMNXHNECIXPP-DGTMBMJNSA-N 3 0 237.391 1.044 20 0 BDADRP COC[C@H]([NH2+][C@H](C)CCCC[NH3+])C1CC1 ZINC000397261553 323151596 /nfs/dbraw/zinc/15/15/96/323151596.db2.gz SUMLGYOBIQFRRK-PWSUYJOCSA-N 2 0 214.353 1.519 20 0 BDADRP C(C[C@H]1CCC[NH2+]C1)[NH2+]C[C@@H]1CCSC1 ZINC000414842492 323151614 /nfs/dbraw/zinc/15/16/14/323151614.db2.gz OYGQCOORAGZFNL-NEPJUHHUSA-N 2 0 228.405 1.719 20 0 BDADRP C[C@@H](C[C@@H]1CCC[NH2+]1)NCC1([NH3+])CCCCC1 ZINC000414842391 323151681 /nfs/dbraw/zinc/15/16/81/323151681.db2.gz MMWFODIHATUYDK-STQMWFEESA-N 2 0 239.407 1.768 20 0 BDADRP CC[NH2+][C@H](C)CN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000414956096 323152251 /nfs/dbraw/zinc/15/22/51/323152251.db2.gz NCBAEMNDRROYTI-BFHYXJOUSA-N 2 0 241.423 1.885 20 0 BDADRP C[C@H](O)[C@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000305630848 323171237 /nfs/dbraw/zinc/17/12/37/323171237.db2.gz MLCMERUGQGCOQA-MELADBBJSA-N 2 0 240.391 1.564 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)C1 ZINC000395158488 323189363 /nfs/dbraw/zinc/18/93/63/323189363.db2.gz MRQMNAQRAACVMK-UMSGYPCISA-N 2 0 226.364 1.484 20 0 BDADRP CC(C)[C@H](C(=O)NCC[N@H+](C)C(C)C)[C@@H](C)[NH3+] ZINC000399377390 323205326 /nfs/dbraw/zinc/20/53/26/323205326.db2.gz BREXNHKAEMDZRS-NEPJUHHUSA-N 2 0 243.395 1.062 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CCCOC1 ZINC000530214988 323216833 /nfs/dbraw/zinc/21/68/33/323216833.db2.gz ZNTWYSUYSHDCSF-RDBSUJKOSA-N 2 0 240.391 1.910 20 0 BDADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000530219333 323218151 /nfs/dbraw/zinc/21/81/51/323218151.db2.gz JCFYTUCHFYXBLS-CHWSQXEVSA-N 2 0 249.358 1.492 20 0 BDADRP C[N@H+](C[C@H]1CCCC[C@H]1O)C1CC[NH2+]CC1 ZINC000328460290 323251652 /nfs/dbraw/zinc/25/16/52/323251652.db2.gz GYGFEHSPBDWGQJ-DGCLKSJQSA-N 2 0 226.364 1.221 20 0 BDADRP C[NH+]1CCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000309225256 323330768 /nfs/dbraw/zinc/33/07/68/323330768.db2.gz RPERTFVZCWPWBE-CYBMUJFWSA-N 2 0 225.380 1.108 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](C)CC1 ZINC000309265657 323337174 /nfs/dbraw/zinc/33/71/74/323337174.db2.gz QBZXEXLZBSAJMX-QWHCGFSZSA-N 2 0 228.380 1.421 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccccc1CO ZINC000572027043 323526498 /nfs/dbraw/zinc/52/64/98/323526498.db2.gz VVIIXPQBWDBJKF-WDEREUQCSA-N 2 0 222.332 1.394 20 0 BDADRP C[NH+]1CCC(CC[NH2+][C@@H]2COC(C)(C)C2)CC1 ZINC000396829859 323658445 /nfs/dbraw/zinc/65/84/45/323658445.db2.gz DOIKLJZTWUOSTA-ZDUSSCGKSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1cc([C@H](C)[NH2+]CCC2=CC[NH2+]CC2)no1 ZINC000572510626 324137574 /nfs/dbraw/zinc/13/75/74/324137574.db2.gz CJCMVDXCJOZLJH-NSHDSACASA-N 2 0 235.331 1.943 20 0 BDADRP C[NH+]1CCC(C[NH2+]Cc2ccc(F)cn2)CC1 ZINC000529541013 324331870 /nfs/dbraw/zinc/33/18/70/324331870.db2.gz ZKFZAMCNBGHQHS-UHFFFAOYSA-N 2 0 237.322 1.652 20 0 BDADRP CC(C)[N@H+](C)CCN[C@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000130451251 325053375 /nfs/dbraw/zinc/05/33/75/325053375.db2.gz MHQFTEXEWLOXSH-OLZOCXBDSA-N 2 0 239.407 1.541 20 0 BDADRP COCC[C@@H](C)[NH2+]C[C@@H](C)N(C)C1CC1 ZINC000131115628 325118431 /nfs/dbraw/zinc/11/84/31/325118431.db2.gz WQWUZBZPUWSCJT-GHMZBOCLSA-N 2 0 214.353 1.484 20 0 BDADRP COC[C@H](C)C[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000131886503 325189725 /nfs/dbraw/zinc/18/97/25/325189725.db2.gz LUWNSGKCRMTOQI-ZIAGYGMSSA-N 2 0 242.407 1.981 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H]2CC[C@H](O)CC2)CC1 ZINC000252729843 325693226 /nfs/dbraw/zinc/69/32/26/325693226.db2.gz IOJCZYQFRHHJQA-MQMHXKEQSA-N 2 0 240.391 1.754 20 0 BDADRP CC[NH2+]CCCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000564822291 325812430 /nfs/dbraw/zinc/81/24/30/325812430.db2.gz KAMYKRSIBONFCE-ZIAGYGMSSA-N 2 0 233.359 1.720 20 0 BDADRP [NH3+]CCCCC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000564942061 325830891 /nfs/dbraw/zinc/83/08/91/325830891.db2.gz GVWSYRDDRDZBHQ-UHFFFAOYSA-N 2 0 247.342 1.400 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCC[C@H](F)C1 ZINC000565775678 325955938 /nfs/dbraw/zinc/95/59/38/325955938.db2.gz NLOPNELJRSGHIW-VLJOUNFMSA-N 2 0 244.354 1.609 20 0 BDADRP CC[NH2+]CCCNC(=O)[C@@H]([NH3+])c1ccc(C)cc1 ZINC000565882122 325968930 /nfs/dbraw/zinc/96/89/30/325968930.db2.gz VLWWWQUUSBRIOJ-ZDUSSCGKSA-N 2 0 249.358 1.111 20 0 BDADRP CC(C)[NH2+]CCCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000566088416 325992232 /nfs/dbraw/zinc/99/22/32/325992232.db2.gz NALTZXQVVBVBNA-NEPJUHHUSA-N 2 0 213.369 1.092 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCC2=CC[NH2+]CC2)C1 ZINC000566483792 326051503 /nfs/dbraw/zinc/05/15/03/326051503.db2.gz WWGGBJBOPQGUOL-OLZOCXBDSA-N 3 0 223.364 1.156 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)C1 ZINC000566482011 326055818 /nfs/dbraw/zinc/05/58/18/326055818.db2.gz LPVQAELYOBLCAK-LOWDOPEQSA-N 2 0 208.349 1.892 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000566483299 326056329 /nfs/dbraw/zinc/05/63/29/326056329.db2.gz UGURLOVPAYJQMJ-MELADBBJSA-N 2 0 241.423 1.966 20 0 BDADRP O=C(Nc1cccc2c1CC[NH2+]C2)[C@@H]1CCC[NH2+]1 ZINC000566733131 326077364 /nfs/dbraw/zinc/07/73/64/326077364.db2.gz OAXMPMURROTVLK-ZDUSSCGKSA-N 2 0 245.326 1.023 20 0 BDADRP CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000566807307 326085366 /nfs/dbraw/zinc/08/53/66/326085366.db2.gz MCPXYFITYRYZIO-UMSGYPCISA-N 2 0 228.380 1.643 20 0 BDADRP COCC[N@H+](C)CCC[NH2+]C(C1CC1)C1CC1 ZINC000153741222 326111048 /nfs/dbraw/zinc/11/10/48/326111048.db2.gz KYCXFFZTFWTHFY-UHFFFAOYSA-N 2 0 240.391 1.733 20 0 BDADRP C[N@@H+]1CCC[C@H](CNCc2ccncc2F)C1 ZINC000567322334 326160111 /nfs/dbraw/zinc/16/01/11/326160111.db2.gz DXXJKNFESVIHDH-LLVKDONJSA-N 2 0 237.322 1.652 20 0 BDADRP CC(C)(CCC[NH3+])NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000567670404 326242122 /nfs/dbraw/zinc/24/21/22/326242122.db2.gz IEQSEIDAUGJPNS-GHMZBOCLSA-N 2 0 241.379 1.138 20 0 BDADRP C[C@@H]1CN([C@@H]2CCC[C@H]([NH3+])C2)C[C@@]1(C)C[NH3+] ZINC000567752461 326255586 /nfs/dbraw/zinc/25/55/86/326255586.db2.gz LHSAVWLWUDBZIY-YVECIDJPSA-N 2 0 225.380 1.173 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccn(C)c1 ZINC000157112755 326257351 /nfs/dbraw/zinc/25/73/51/326257351.db2.gz JWHMCUBBZNEYLN-YPMHNXCESA-N 2 0 221.348 1.455 20 0 BDADRP Cc1ccc(O)c(C[NH2+][C@H](C)C[C@@H](C)[NH3+])n1 ZINC000567870753 326273752 /nfs/dbraw/zinc/27/37/52/326273752.db2.gz LNKPPAXDRJRWRM-PSASIEDQSA-N 2 0 223.320 1.311 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc2c(c1)nnn2C ZINC000567871001 326274085 /nfs/dbraw/zinc/27/40/85/326274085.db2.gz FIBOMCBJKVPORA-NXEZZACHSA-N 2 0 247.346 1.184 20 0 BDADRP CC(C)(CC[NH3+])NC(=O)CCC1CC[NH2+]CC1 ZINC000567925810 326284230 /nfs/dbraw/zinc/28/42/30/326284230.db2.gz VBFGCKKIKTURMN-UHFFFAOYSA-N 2 0 241.379 1.010 20 0 BDADRP c1cn(C2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)cn1 ZINC000567990629 326292655 /nfs/dbraw/zinc/29/26/55/326292655.db2.gz POFPHAZLDLHYKR-CYBMUJFWSA-N 2 0 248.374 1.520 20 0 BDADRP Cc1nccn1CCC[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000568162144 326316528 /nfs/dbraw/zinc/31/65/28/326316528.db2.gz PBRBKWNMMBKRFE-AAEUAGOBSA-N 2 0 236.363 1.393 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCOCC2CCC2)C1 ZINC000568247186 326333723 /nfs/dbraw/zinc/33/37/23/326333723.db2.gz DSIXOKBLYRXENV-OLZOCXBDSA-N 2 0 226.364 1.663 20 0 BDADRP Cc1noc(C)c1CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000568247223 326333852 /nfs/dbraw/zinc/33/38/52/326333852.db2.gz FPHNJPZBQJCONE-NWDGAFQWSA-N 2 0 237.347 1.693 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CC[C@@H](CO)C2)C1 ZINC000568295336 326342896 /nfs/dbraw/zinc/34/28/96/326342896.db2.gz YMBVTIMQPGHXTD-KKOKHZNYSA-N 2 0 212.337 1.007 20 0 BDADRP Cc1cc(NC(=O)NCC2([NH3+])CCC2)c(C)cn1 ZINC000568369604 326350301 /nfs/dbraw/zinc/35/03/01/326350301.db2.gz VHHLVJKXIIYDID-UHFFFAOYSA-N 2 0 248.330 1.123 20 0 BDADRP COCC1(CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000568415241 326356356 /nfs/dbraw/zinc/35/63/56/326356356.db2.gz MACQJSVTUHBRJM-NEPJUHHUSA-N 2 0 226.364 1.663 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)[C@H]1CCCC[NH2+]1 ZINC000568856594 326379422 /nfs/dbraw/zinc/37/94/22/326379422.db2.gz AHSYPFYPJULYFM-XDQVBPFNSA-N 2 0 239.407 1.624 20 0 BDADRP CC[N@@H+]1CCN(c2ccnc(C)n2)C[C@@H]1C ZINC000677152981 487984023 /nfs/dbraw/zinc/98/40/23/487984023.db2.gz LIVIWFZLSYXKEC-JTQLQIEISA-N 2 0 220.320 1.315 20 0 BDADRP C[C@H](CNc1[nH+]ccc2[nH]ccc21)[NH+](C)C ZINC000663438388 488012567 /nfs/dbraw/zinc/01/25/67/488012567.db2.gz GLTZEKFXCHIEJA-SECBINFHSA-N 2 0 218.304 1.925 20 0 BDADRP CC[C@H]1C[N@H+](CCCOC)CC[C@@H]1[NH3+] ZINC000147417447 488015561 /nfs/dbraw/zinc/01/55/61/488015561.db2.gz AAOVAPLQARYOGN-QWRGUYRKSA-N 2 0 200.326 1.082 20 0 BDADRP COC[C@H](C)C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000045706801 488026779 /nfs/dbraw/zinc/02/67/79/488026779.db2.gz NTVNTMFXQSKBCA-OUAUKWLOSA-N 2 0 200.326 1.081 20 0 BDADRP [NH3+]CCC[NH2+]CCOc1cccc(Cl)c1 ZINC000159448346 488031232 /nfs/dbraw/zinc/03/12/32/488031232.db2.gz QIMJNWCETQTZPX-UHFFFAOYSA-N 2 0 228.723 1.657 20 0 BDADRP C[NH2+]Cc1ccccc1NC[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663494056 488044006 /nfs/dbraw/zinc/04/40/06/488044006.db2.gz LKYJTTIQAVXSHL-OCCSQVGLSA-N 2 0 231.343 1.427 20 0 BDADRP C(C[C@H]1CC[NH2+]C1)[NH2+]C(C1CC1)C1CC1 ZINC000084385308 488049898 /nfs/dbraw/zinc/04/98/98/488049898.db2.gz HUUJDEAUGWOICR-SNVBAGLBSA-N 2 0 208.349 1.764 20 0 BDADRP C[C@@H](C[NH+]1CCC(O)(C[NH3+])CC1)C(C)(C)C ZINC000396980706 488069562 /nfs/dbraw/zinc/06/95/62/488069562.db2.gz NIPVFNSPYQSUAY-NSHDSACASA-N 2 0 228.380 1.454 20 0 BDADRP CCO[C@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000677603300 488084057 /nfs/dbraw/zinc/08/40/57/488084057.db2.gz YMVWZCYQOGVULW-KGLIPLIRSA-N 2 0 240.391 1.972 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000389253512 488085034 /nfs/dbraw/zinc/08/50/34/488085034.db2.gz NEFRJFHHLQVUGP-HZSPNIEDSA-N 2 0 239.407 1.591 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@H]2CCCO2)[C@H](C)C1 ZINC000675743545 488101035 /nfs/dbraw/zinc/10/10/35/488101035.db2.gz ZUZOTNRZXKBLBP-MCIONIFRSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@]1(C(=O)Nc2cccc(C[NH3+])c2)CCC[NH2+]1 ZINC000669508384 488108884 /nfs/dbraw/zinc/10/88/84/488108884.db2.gz QTNXIXWPZRAIBN-CYBMUJFWSA-N 2 0 233.315 1.226 20 0 BDADRP CC(C)C[C@@H]([NH3+])C(=O)NCC1([NH3+])CCCCC1 ZINC000669508287 488109337 /nfs/dbraw/zinc/10/93/37/488109337.db2.gz AHNCDGQYGFTVMY-LLVKDONJSA-N 2 0 241.379 1.138 20 0 BDADRP C[C@H]1C[C@H]1C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000683110605 488111796 /nfs/dbraw/zinc/11/17/96/488111796.db2.gz QEUXKKANXXWWJI-STQMWFEESA-N 2 0 239.407 1.258 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000667775317 488117626 /nfs/dbraw/zinc/11/76/26/488117626.db2.gz JATVTJIJTIFOJC-UONOGXRCSA-N 2 0 240.391 1.874 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000667775315 488117917 /nfs/dbraw/zinc/11/79/17/488117917.db2.gz JATVTJIJTIFOJC-KBPBESRZSA-N 2 0 240.391 1.874 20 0 BDADRP CC[NH+](CC)CCCN1CC[N@H+](CC)[C@H](C)C1 ZINC000683141630 488118311 /nfs/dbraw/zinc/11/83/11/488118311.db2.gz IWUBNICVLYIRKM-CQSZACIVSA-N 2 0 241.423 1.744 20 0 BDADRP CC[N@H+](C[C@H]1CCC[NH2+]C1)[C@@H]1CCCOC1 ZINC000233504342 488126719 /nfs/dbraw/zinc/12/67/19/488126719.db2.gz JHGIPCPNOWNJRB-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000403612007 488129364 /nfs/dbraw/zinc/12/93/64/488129364.db2.gz IZHZVKGDEOHWLQ-RKQHYHRCSA-N 2 0 220.360 1.574 20 0 BDADRP C[C@H](O)C1([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000668698463 488130494 /nfs/dbraw/zinc/13/04/94/488130494.db2.gz CGMAMEOCQFQQSD-SRVKXCTJSA-N 2 0 224.348 1.116 20 0 BDADRP Cn1ccnc1[C@H]1CC[N@H+](Cc2cn[nH]c2)C1 ZINC000685463067 487530444 /nfs/dbraw/zinc/53/04/44/487530444.db2.gz OTHLWBCTDRKRGW-NSHDSACASA-N 2 0 231.303 1.133 20 0 BDADRP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCCOC2)C1 ZINC000674302278 487554283 /nfs/dbraw/zinc/55/42/83/487554283.db2.gz KZNXBUTVAFWUQW-UONOGXRCSA-N 2 0 240.391 1.829 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000161076718 487475937 /nfs/dbraw/zinc/47/59/37/487475937.db2.gz GMINUGIBYOCZTR-WCQYABFASA-N 2 0 241.379 1.104 20 0 BDADRP C[N@@H+]1CC[C@@]2(CCN(Cc3cccnc3N)C2)C1 ZINC000295160078 487483123 /nfs/dbraw/zinc/48/31/23/487483123.db2.gz DHAAOWYYHWDXCP-CQSZACIVSA-N 2 0 246.358 1.191 20 0 BDADRP CCN(CC[NH3+])Cc1ccc(C)nc1C ZINC000231818959 487477498 /nfs/dbraw/zinc/47/74/98/487477498.db2.gz DMKAFZPYFMFXKW-UHFFFAOYSA-N 2 0 207.321 1.479 20 0 BDADRP [NH3+]Cc1ccc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000295017704 487478296 /nfs/dbraw/zinc/47/82/96/487478296.db2.gz MUTNQJBMZUXYCS-STQMWFEESA-N 2 0 247.342 1.145 20 0 BDADRP CCC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C(C)C ZINC000380973044 487492345 /nfs/dbraw/zinc/49/23/45/487492345.db2.gz AWMRLGLWQRJVHH-CYBMUJFWSA-N 2 0 230.396 1.808 20 0 BDADRP C[C@@H]1CC[C@H](C)[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662257597 487493476 /nfs/dbraw/zinc/49/34/76/487493476.db2.gz DYNTWWBBJDSQHD-GRYCIOLGSA-N 2 0 224.348 1.380 20 0 BDADRP C[N@H+](CCC(C)(C)C1CC1)C[C@H](O)C[NH3+] ZINC000405951004 487496802 /nfs/dbraw/zinc/49/68/02/487496802.db2.gz GCMUXZLXEMWQLD-LLVKDONJSA-N 2 0 214.353 1.064 20 0 BDADRP CCC(C)(C)[N@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000381123588 487496944 /nfs/dbraw/zinc/49/69/44/487496944.db2.gz JBDGCPVNOXUEDK-LBPRGKRZSA-N 2 0 230.396 1.808 20 0 BDADRP CCC(C)(C)[N@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000381123587 487497274 /nfs/dbraw/zinc/49/72/74/487497274.db2.gz JBDGCPVNOXUEDK-GFCCVEGCSA-N 2 0 230.396 1.808 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CCCO2)CC1 ZINC000019963411 487509484 /nfs/dbraw/zinc/50/94/84/487509484.db2.gz YVMJJSXZMOPFPI-ZDUSSCGKSA-N 2 0 226.364 1.628 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](CC[C@H]2CCCCO2)C1 ZINC000300367515 487779371 /nfs/dbraw/zinc/77/93/71/487779371.db2.gz KWTCGFSWGBFBBW-NWDGAFQWSA-N 2 0 212.337 1.226 20 0 BDADRP Cc1nc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cs1 ZINC000666950680 487890399 /nfs/dbraw/zinc/89/03/99/487890399.db2.gz AKMJNJJQEFOHGK-NSHDSACASA-N 2 0 237.372 1.683 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](CCc2ccnn2C)CC1 ZINC000230745470 488110560 /nfs/dbraw/zinc/11/05/60/488110560.db2.gz NDGWITNCWDRDHY-LLVKDONJSA-N 2 0 236.363 1.022 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657859610 488153191 /nfs/dbraw/zinc/15/31/91/488153191.db2.gz WLJQEYGPFGBBCU-LBPRGKRZSA-N 2 0 226.364 1.629 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)CC[C@@H]1C ZINC000380145004 488175567 /nfs/dbraw/zinc/17/55/67/488175567.db2.gz HDYLLEYHSVZEBB-RDBSUJKOSA-N 2 0 242.407 1.808 20 0 BDADRP c1cc([C@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)n[nH]1 ZINC000178959215 488187180 /nfs/dbraw/zinc/18/71/80/488187180.db2.gz SQECTNPXDNNOMJ-ZDUSSCGKSA-N 2 0 248.374 1.589 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+](CCCO)C1CC1 ZINC000678077149 488191904 /nfs/dbraw/zinc/19/19/04/488191904.db2.gz KAYFLPXHAHDHDW-GFCCVEGCSA-N 2 0 226.364 1.318 20 0 BDADRP Cc1cnc(C[NH2+]CC2CC[NH+](C)CC2)o1 ZINC000231640454 488218722 /nfs/dbraw/zinc/21/87/22/488218722.db2.gz UMIRHYNFKXZYJC-UHFFFAOYSA-N 2 0 223.320 1.414 20 0 BDADRP C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)C1CCC1 ZINC000398746085 488223800 /nfs/dbraw/zinc/22/38/00/488223800.db2.gz YSLQEQQKIVJKRA-STQMWFEESA-N 2 0 208.349 1.860 20 0 BDADRP CO[C@@H]1CC[N@H+](Cc2cnc(C)n2C)C[C@@H]1C ZINC000668215348 488228482 /nfs/dbraw/zinc/22/84/82/488228482.db2.gz BMKAHDNGZVXQAT-GXFFZTMASA-N 2 0 237.347 1.585 20 0 BDADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cn[nH]c2)[C@@H](C)C1 ZINC000678277347 488235784 /nfs/dbraw/zinc/23/57/84/488235784.db2.gz ISXGJULTYVGMTC-WCQYABFASA-N 2 0 236.363 1.572 20 0 BDADRP Cc1cc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)ncn1 ZINC000678605623 488271575 /nfs/dbraw/zinc/27/15/75/488271575.db2.gz RZFJYFAZSZKWNG-LBPRGKRZSA-N 2 0 248.374 1.605 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000049553831 488303950 /nfs/dbraw/zinc/30/39/50/488303950.db2.gz BRXAUJAPKFRAQY-OLZOCXBDSA-N 3 0 241.423 1.647 20 0 BDADRP C[C@H](CCCCO)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000679332364 488340631 /nfs/dbraw/zinc/34/06/31/488340631.db2.gz VDOLWHZWOYQZRR-CHWSQXEVSA-N 2 0 240.391 1.611 20 0 BDADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CCCCO)C1 ZINC000679340018 488341800 /nfs/dbraw/zinc/34/18/00/488341800.db2.gz MYYYOBLAOVTHAT-KGLIPLIRSA-N 2 0 242.407 1.859 20 0 BDADRP C[C@@H](CO)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000120689218 490067212 /nfs/dbraw/zinc/06/72/12/490067212.db2.gz HAUSVSVRPWYHOW-GFCCVEGCSA-N 2 0 228.380 1.279 20 0 BDADRP C(C[NH2+][C@@H]1CCCOC1)C[NH+]1CCCC1 ZINC000069606475 490174369 /nfs/dbraw/zinc/17/43/69/490174369.db2.gz HDEQUJLBSKUEML-GFCCVEGCSA-N 2 0 212.337 1.241 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)C[NH2+]C2CC2)cc1 ZINC000575780540 490217309 /nfs/dbraw/zinc/21/73/09/490217309.db2.gz JQUVTJHVYLXYAP-UHFFFAOYSA-N 2 0 233.315 1.097 20 0 BDADRP C[C@H]([NH2+][C@H]1CCCOC1)C1CC[NH+](C)CC1 ZINC000071011946 490252566 /nfs/dbraw/zinc/25/25/66/490252566.db2.gz UVYDQSQSPQMPGM-AAEUAGOBSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCO[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000300415842 490560013 /nfs/dbraw/zinc/56/00/13/490560013.db2.gz ZTPVHBCJEQHNKI-BZPMIXESSA-N 2 0 240.391 1.874 20 0 BDADRP C[NH+](C)[C@H]1CCCN(C(=O)CCC(C)(C)[NH3+])C1 ZINC000091392365 491071704 /nfs/dbraw/zinc/07/17/04/491071704.db2.gz BPGMOQRKWUGNCM-NSHDSACASA-N 2 0 241.379 1.057 20 0 BDADRP C[C@@H]([NH2+]CCC[C@H](C)O)C1CC[NH+](C)CC1 ZINC000228041122 491088445 /nfs/dbraw/zinc/08/84/45/491088445.db2.gz AREVZHGXYBRIDU-NWDGAFQWSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@@H]1CCC[C@@H](C[N@@H+]2CCCO[C@H](C[NH3+])C2)C1 ZINC000313369739 491124180 /nfs/dbraw/zinc/12/41/80/491124180.db2.gz GICJDOSBNLVKGW-MGPQQGTHSA-N 2 0 240.391 1.862 20 0 BDADRP C[C@@H](Cc1ccsc1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000309423868 491149123 /nfs/dbraw/zinc/14/91/23/491149123.db2.gz AKMYIRLUSSJHEA-WCFLWFBJSA-N 2 0 236.384 1.830 20 0 BDADRP C[C@H](CC(C)(C)O)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400750968 533730082 /nfs/dbraw/zinc/73/00/82/533730082.db2.gz VOLOUUZAISCANE-MXWKQRLJSA-N 2 0 214.353 1.266 20 0 BDADRP C[C@H](NCC[NH+]1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000400720069 533857315 /nfs/dbraw/zinc/85/73/15/533857315.db2.gz OGDBREQXZZXCSF-STQMWFEESA-N 2 0 225.380 1.202 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCSC1)[C@H]1CCC[NH2+]1 ZINC000400370771 533906755 /nfs/dbraw/zinc/90/67/55/533906755.db2.gz AIIOVTMWDGJVSH-HBNTYKKESA-N 2 0 214.378 1.470 20 0 BDADRP C[C@H]([NH2+][C@H]1CCOC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000400692568 534008941 /nfs/dbraw/zinc/00/89/41/534008941.db2.gz ZLTNCOBGSBGQLD-NOOOWODRSA-N 2 0 212.337 1.142 20 0 BDADRP CCOC(=O)[C@H](CC)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000084105443 535644788 /nfs/dbraw/zinc/64/47/88/535644788.db2.gz YZAVCDUROPQYMN-JQWIXIFHSA-N 2 0 242.363 1.387 20 0 BDADRP C[C@H](O)CC(C)(C)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400381229 534051413 /nfs/dbraw/zinc/05/14/13/534051413.db2.gz XBNZMLWTJJEYIH-SRVKXCTJSA-N 2 0 228.380 1.514 20 0 BDADRP C[C@@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)[N@H+](C)C1CC1 ZINC000400562497 534076610 /nfs/dbraw/zinc/07/66/10/534076610.db2.gz IAOIYJJKTMDZLR-GVXVVHGQSA-N 2 0 225.380 1.199 20 0 BDADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)C(C)C)CC1 ZINC000155604951 535731015 /nfs/dbraw/zinc/73/10/15/535731015.db2.gz YXYHOQWVCVGSCE-KBPBESRZSA-N 2 0 241.423 1.647 20 0 BDADRP CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000348119174 535823847 /nfs/dbraw/zinc/82/38/47/535823847.db2.gz NEAAMQSENODRPR-MCIONIFRSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400986156 534179901 /nfs/dbraw/zinc/17/99/01/534179901.db2.gz YWZXGUUPSKKXKW-OFTGVCEQSA-N 2 0 224.348 1.142 20 0 BDADRP CC[C@@]1(C)CC[N@H+](CCOCC[NH3+])C1 ZINC000261538601 536048031 /nfs/dbraw/zinc/04/80/31/536048031.db2.gz YRZHODPQAJDUEH-NSHDSACASA-N 2 0 200.326 1.084 20 0 BDADRP CC[C@@H](C)NC(=[NH2+])NCC1([NH+](C)C)CCC1 ZINC000849020708 582828391 /nfs/dbraw/zinc/82/83/91/582828391.db2.gz YHCKQKQUHFWWNB-SNVBAGLBSA-N 2 0 226.368 1.383 20 0 BDADRP C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)[C@@H]1CCOC1 ZINC000400645130 527482142 /nfs/dbraw/zinc/48/21/42/527482142.db2.gz UIBKSPQRAJANGF-UPJWGTAASA-N 2 0 224.348 1.097 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)N[C@@H](C)CCCC[NH3+] ZINC000494686563 527893194 /nfs/dbraw/zinc/89/31/94/527893194.db2.gz OVYRDIGQNGEYPF-CMPLNLGQSA-N 2 0 229.368 1.138 20 0 BDADRP CC(C)OCCCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400493036 527930422 /nfs/dbraw/zinc/93/04/22/527930422.db2.gz ZVUUFKVZHBLDBM-QWHCGFSZSA-N 2 0 228.380 1.922 20 0 BDADRP COC[C@@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000261551104 536522999 /nfs/dbraw/zinc/52/29/99/536522999.db2.gz QCPQRRFFDLNDMD-LLVKDONJSA-N 2 0 212.337 1.097 20 0 BDADRP CC(C)[C@](C)(C[NH3+])NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000494572620 527939355 /nfs/dbraw/zinc/93/93/55/527939355.db2.gz BELHHKHEVODSGY-YPMHNXCESA-N 2 0 241.379 1.008 20 0 BDADRP CC(C)OCCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400358306 527948583 /nfs/dbraw/zinc/94/85/83/527948583.db2.gz CALTYHUDRXIFRG-RYUDHWBXSA-N 2 0 214.353 1.532 20 0 BDADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000495043877 528037952 /nfs/dbraw/zinc/03/79/52/528037952.db2.gz BSGDYESRCHNXQV-REWJHTLYSA-N 2 0 242.407 1.977 20 0 BDADRP CC(C)C[C@H](CN[C@H](C)[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000400758838 528533516 /nfs/dbraw/zinc/53/35/16/528533516.db2.gz XRFIBLPGOHNZBG-MGPQQGTHSA-N 2 0 241.423 1.693 20 0 BDADRP CCC(CC)(CO)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400432794 528707596 /nfs/dbraw/zinc/70/75/96/528707596.db2.gz KKJJSISTRJYSPX-VXGBXAGGSA-N 2 0 228.380 1.515 20 0 BDADRP CC[NH+]1CCC(N[C@@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000400712242 528987286 /nfs/dbraw/zinc/98/72/86/528987286.db2.gz MNGNDOCVMJVYEO-WCQYABFASA-N 2 0 225.380 1.201 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000253029909 535161155 /nfs/dbraw/zinc/16/11/55/535161155.db2.gz QPTMQSPCGKCMGM-REWJHTLYSA-N 2 0 240.391 1.514 20 0 BDADRP CC(C)[C@@H](C)[NH2+]CCOCC[NH+](C)C ZINC000219307295 535167313 /nfs/dbraw/zinc/16/73/13/535167313.db2.gz FTLWRAWTLUBQBT-LLVKDONJSA-N 2 0 202.342 1.199 20 0 BDADRP CC(C)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000335320870 535196996 /nfs/dbraw/zinc/19/69/96/535196996.db2.gz IRNNGAYAQPBMQE-ZDUSSCGKSA-N 2 0 239.407 1.495 20 0 BDADRP CC(C)([NH3+])CN1CC[NH+](C2CCCCC2)CC1 ZINC000335855774 535199146 /nfs/dbraw/zinc/19/91/46/535199146.db2.gz NGRDIEGXRYNDSZ-UHFFFAOYSA-N 2 0 239.407 1.674 20 0 BDADRP CC(C)([NH3+])CNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000335700180 535207124 /nfs/dbraw/zinc/20/71/24/535207124.db2.gz KTKOQPHYBOKQJD-QWRGUYRKSA-N 2 0 241.379 1.138 20 0 BDADRP CC[NH2+]CC1CC[NH+](CCCOC)CC1 ZINC000053659088 535458481 /nfs/dbraw/zinc/45/84/81/535458481.db2.gz VIGKMVRVQPILLQ-UHFFFAOYSA-N 2 0 214.353 1.344 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)C1(C)C ZINC000261539683 535499931 /nfs/dbraw/zinc/49/99/31/535499931.db2.gz AYZMRVANWWFAPP-FRRDWIJNSA-N 2 0 240.391 1.779 20 0 BDADRP CCOCCC[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094072196 535515448 /nfs/dbraw/zinc/51/54/48/535515448.db2.gz NKVHFXWHPKGOJV-UHFFFAOYSA-N 2 0 244.379 1.243 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1COC1 ZINC000082487875 535519531 /nfs/dbraw/zinc/51/95/31/535519531.db2.gz IBLKOGJGNSXSRR-LLVKDONJSA-N 2 0 214.353 1.485 20 0 BDADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](C)O)C1 ZINC000248799427 535585279 /nfs/dbraw/zinc/58/52/79/535585279.db2.gz ZUHIRCTYPOUTSQ-RYUDHWBXSA-N 2 0 214.353 1.031 20 0 BDADRP CCS[C@@H]1CCCC[N@H+](C[C@H](C)[NH3+])C1 ZINC000261535361 535704174 /nfs/dbraw/zinc/70/41/74/535704174.db2.gz OGZGUJBFNIAYER-WDEREUQCSA-N 2 0 216.394 1.941 20 0 BDADRP CC[C@@H]1C[N@H+](CC[C@H]2CCC[NH+]2C)C[C@H]1O ZINC000348128887 535860696 /nfs/dbraw/zinc/86/06/96/535860696.db2.gz QNFHEFHYSIFJGI-JHJVBQTASA-N 2 0 226.364 1.173 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000252713312 536001124 /nfs/dbraw/zinc/00/11/24/536001124.db2.gz OUZHBLCFIWAQMT-QNWHQSFQSA-N 2 0 228.380 1.323 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251134983 536091664 /nfs/dbraw/zinc/09/16/64/536091664.db2.gz ZCPWBDBCAZWYII-MCIONIFRSA-N 2 0 240.391 1.611 20 0 BDADRP CC[C@H](COC)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000227496727 536121391 /nfs/dbraw/zinc/12/13/91/536121391.db2.gz YQFIXPGVFGRISQ-GFCCVEGCSA-N 2 0 228.380 1.733 20 0 BDADRP CC[C@H](COC)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000223020534 536122081 /nfs/dbraw/zinc/12/20/81/536122081.db2.gz OJDOEFKKROWIHP-MXWKQRLJSA-N 2 0 200.326 1.271 20 0 BDADRP C[NH+](C)[C@H]1CCC[N@H+](C[C@H]2CCOC2)CC1 ZINC000336119421 536138453 /nfs/dbraw/zinc/13/84/53/536138453.db2.gz NPVWLSQENNORMR-OLZOCXBDSA-N 2 0 226.364 1.439 20 0 BDADRP CN1CCC([NH2+][C@@H]2CCC[C@@H](F)C2)CC1 ZINC000335372754 536344819 /nfs/dbraw/zinc/34/48/19/536344819.db2.gz PAFKTPAUGGAYFL-ZYHUDNBSSA-N 2 0 214.328 1.951 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCC[C@@H]1CCO ZINC000348148509 536371153 /nfs/dbraw/zinc/37/11/53/536371153.db2.gz IOGQOOWDSSKADR-MCIONIFRSA-N 2 0 240.391 1.611 20 0 BDADRP C[NH2+][C@@H]1CCN(c2cc[nH+]c(C)c2Cl)C1 ZINC000261533608 536378514 /nfs/dbraw/zinc/37/85/14/536378514.db2.gz LCJQASZUQPOXRQ-SECBINFHSA-N 2 0 225.723 1.842 20 0 BDADRP C[N@H+](CCOCC1CC1)CC(C)(C)C[NH3+] ZINC000087400198 536393361 /nfs/dbraw/zinc/39/33/61/536393361.db2.gz SWDPHRZLZFLRLC-UHFFFAOYSA-N 2 0 214.353 1.330 20 0 BDADRP C[N@@H+]1CC[C@@H]2CCN(C[C@]3(C)CC[NH2+]C3)[C@H]2C1 ZINC000262092256 536464628 /nfs/dbraw/zinc/46/46/28/536464628.db2.gz UXJHUWIMMREQEG-HZSPNIEDSA-N 2 0 237.391 1.012 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CCc1ccccc1 ZINC000234721228 536594642 /nfs/dbraw/zinc/59/46/42/536594642.db2.gz YBJRICMRVUGDBD-CQSZACIVSA-N 2 0 236.359 1.573 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CCOC1CCCC1 ZINC000234718730 536595075 /nfs/dbraw/zinc/59/50/75/536595075.db2.gz YZQOVEWVXGCKMD-GFCCVEGCSA-N 2 0 244.379 1.289 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](C)C(C)C ZINC000234726637 536596765 /nfs/dbraw/zinc/59/67/65/536596765.db2.gz WXJMMSAGUDUOED-NWDGAFQWSA-N 2 0 216.369 1.622 20 0 BDADRP CO[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261530961 536707025 /nfs/dbraw/zinc/70/70/25/536707025.db2.gz DQZZXKDYPCJDGX-KXNHARMFSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@]1(CN2CC[C@@]3(C2)CCC[NH2+]C3)CC[NH2+]C1 ZINC000334420928 566396164 /nfs/dbraw/zinc/39/61/64/566396164.db2.gz QPISGUGSODTTBX-KBPBESRZSA-N 2 0 237.391 1.062 20 0 BDADRP C[C@@]1(CN2CC[C@]3(C2)CCC[NH2+]C3)CC[NH2+]C1 ZINC000334420931 566396353 /nfs/dbraw/zinc/39/63/53/566396353.db2.gz QPISGUGSODTTBX-ZIAGYGMSSA-N 3 0 237.391 1.062 20 0 BDADRP CC(C)[C@H]1C[N@H+](CC2CC[NH+](C)CC2)CCO1 ZINC000893399996 583136386 /nfs/dbraw/zinc/13/63/86/583136386.db2.gz BZAHXFLOZZRFOH-CQSZACIVSA-N 2 0 240.391 1.685 20 0 BDADRP CN(CCC1SCCS1)[C@H](C[NH3+])C1CC1 ZINC000853022975 588716548 /nfs/dbraw/zinc/71/65/48/588716548.db2.gz JHRCWGRIXYRAQA-SNVBAGLBSA-N 2 0 246.445 1.852 20 0 BDADRP C[NH+](C)C1(CNC(=[NH2+])NC2CC2)CCCC1 ZINC000111366850 588746862 /nfs/dbraw/zinc/74/68/62/588746862.db2.gz FEMKGDVDQFVVBM-UHFFFAOYSA-N 2 0 224.352 1.137 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCC1SCCS1 ZINC000854230291 588781075 /nfs/dbraw/zinc/78/10/75/588781075.db2.gz LYNIGMLFQCDGSQ-DTWKUNHWSA-N 2 0 234.434 1.898 20 0 BDADRP C1=C[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000854221933 588780414 /nfs/dbraw/zinc/78/04/14/588780414.db2.gz VRUNRWJBEAEJNI-XDQVBPFNSA-N 2 0 236.359 1.452 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1C[C@H](O)c2ccccc21 ZINC000854228542 588780826 /nfs/dbraw/zinc/78/08/26/588780826.db2.gz AFUJGEUKUFJHKA-ZNIXKSQXSA-N 2 0 234.343 1.880 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCCCCC[NH3+])CN1C1CC1 ZINC000843342772 582510962 /nfs/dbraw/zinc/51/09/62/582510962.db2.gz UKASBIQVPIAXMB-CHWSQXEVSA-N 2 0 239.407 1.720 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000348100665 582524922 /nfs/dbraw/zinc/52/49/22/582524922.db2.gz HCAKRDNZBCMCPM-KBPBESRZSA-N 2 0 240.391 1.733 20 0 BDADRP CC[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000804797918 582558901 /nfs/dbraw/zinc/55/89/01/582558901.db2.gz RKRVQWZPBIMZCJ-LLVKDONJSA-N 2 0 205.305 1.612 20 0 BDADRP CCCCCC[N@H+](C)CCOCC[NH3+] ZINC000301048128 582607562 /nfs/dbraw/zinc/60/75/62/582607562.db2.gz QDKAPZIFLYANCS-UHFFFAOYSA-N 2 0 202.342 1.474 20 0 BDADRP C[NH+]1CCC(C[NH+]2C3CCC2CC3)CC1 ZINC000891555005 582696980 /nfs/dbraw/zinc/69/69/80/582696980.db2.gz HNTGPGBPUXAVCQ-UHFFFAOYSA-N 2 0 208.349 1.955 20 0 BDADRP C[C@H]1C[N@H+](CC2CC[NH+](C)CC2)C[C@H]1C ZINC000892068313 582783335 /nfs/dbraw/zinc/78/33/35/582783335.db2.gz KLANFNVVVDYVCD-TXEJJXNPSA-N 2 0 210.365 1.916 20 0 BDADRP C[C@H](C1CC1)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000782181703 582869996 /nfs/dbraw/zinc/86/99/96/582869996.db2.gz JKSWTUWOMFBREB-GFCCVEGCSA-N 2 0 240.391 1.564 20 0 BDADRP CN1CC[C@H]([NH2+]C[C@@H]2C[C@@]2(C)Br)C1 ZINC000892938698 583012718 /nfs/dbraw/zinc/01/27/18/583012718.db2.gz HBSFNWHWBAPPLN-LPEHRKFASA-N 2 0 247.180 1.454 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@H]2CCc3n[nH]cc3C2)CC1 ZINC000893008124 583029632 /nfs/dbraw/zinc/02/96/32/583029632.db2.gz KOBXECZUNJBRJE-CYBMUJFWSA-N 2 0 248.374 1.198 20 0 BDADRP COC[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)C(C)C ZINC000086695659 583109685 /nfs/dbraw/zinc/10/96/85/583109685.db2.gz TZYVZEIFWTWCIY-JSGCOSHPSA-N 2 0 242.407 1.977 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@](C)(CO)C2CC2)CC1 ZINC000893367373 583126931 /nfs/dbraw/zinc/12/69/31/583126931.db2.gz KUSKNGGVXKWVGZ-ZDUSSCGKSA-N 2 0 226.364 1.079 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000857085135 588886638 /nfs/dbraw/zinc/88/66/38/588886638.db2.gz ISSPPPGFTYXYQS-STQMWFEESA-N 2 0 225.380 1.319 20 0 BDADRP CO[C@@H]1CC[N@H+](CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000894252926 583392770 /nfs/dbraw/zinc/39/27/70/583392770.db2.gz CSQMBZATLOXKPT-TZMCWYRMSA-N 2 0 240.391 1.828 20 0 BDADRP CO[C@@H]1CC[N@H+](CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000894252920 583393024 /nfs/dbraw/zinc/39/30/24/583393024.db2.gz CSQMBZATLOXKPT-GXTWGEPZSA-N 2 0 240.391 1.828 20 0 BDADRP Cc1nccnc1CC[NH2+]CC1CC[NH+](C)CC1 ZINC000894632356 583498651 /nfs/dbraw/zinc/49/86/51/583498651.db2.gz OCEFUNUFMZOBMW-UHFFFAOYSA-N 2 0 248.374 1.259 20 0 BDADRP C[NH+]1CCC(C[NH2+]Cc2nnc(C3CC3)[nH]2)CC1 ZINC000894676724 583504098 /nfs/dbraw/zinc/50/40/98/583504098.db2.gz PQPIBQOHNSQKCA-UHFFFAOYSA-N 2 0 249.362 1.114 20 0 BDADRP COCC1(C)C[NH+](CC2CC[NH+](C)CC2)C1 ZINC000894841809 583530526 /nfs/dbraw/zinc/53/05/26/583530526.db2.gz XZHKYMLBLSKPDV-UHFFFAOYSA-N 2 0 226.364 1.297 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)CC1 ZINC000894864010 583536595 /nfs/dbraw/zinc/53/65/95/583536595.db2.gz ZNQWKMRWFYTDIU-KGLIPLIRSA-N 2 0 238.375 1.439 20 0 BDADRP COCC[C@@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000894894737 583549397 /nfs/dbraw/zinc/54/93/97/583549397.db2.gz NHWYQIIIVBLBMO-RLAWYHOSSA-N 2 0 240.391 1.874 20 0 BDADRP CC(=O)OC[C@@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000894978864 583563481 /nfs/dbraw/zinc/56/34/81/583563481.db2.gz OZZBFXPDQIIGJZ-QFWMXSHPSA-N 2 0 242.363 1.400 20 0 BDADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCCc3cn[nH]c32)CC1 ZINC000857859614 588914067 /nfs/dbraw/zinc/91/40/67/588914067.db2.gz HFPIRUYJSGOOQD-CYBMUJFWSA-N 2 0 246.358 1.639 20 0 BDADRP CN(Cc1ccc(Cl)cn1)CC1C[NH+](C)C1 ZINC000895259353 583634227 /nfs/dbraw/zinc/63/42/27/583634227.db2.gz LHTOBIBJCYKXFR-UHFFFAOYSA-N 2 0 239.750 1.728 20 0 BDADRP CC(C)c1c[nH]c(CNCC[C@H](C)[NH+](C)C)n1 ZINC000895290694 583637906 /nfs/dbraw/zinc/63/79/06/583637906.db2.gz QOKUKMCGKCUTOK-NSHDSACASA-N 2 0 238.379 1.963 20 0 BDADRP C[NH+]1CCC(C[NH2+]C[C@H](CO)CC2CC2)CC1 ZINC000895396026 583664576 /nfs/dbraw/zinc/66/45/76/583664576.db2.gz FGSGZSODEOXLJJ-CQSZACIVSA-N 2 0 240.391 1.326 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@]23C[C@@H]2COC3(C)C)CC1 ZINC000895570812 583692140 /nfs/dbraw/zinc/69/21/40/583692140.db2.gz QCXGEVRKAMWAIM-OCCSQVGLSA-N 2 0 238.375 1.485 20 0 BDADRP Cc1c[nH]c(CN2CCC(C)([NH+]3CCC3)CC2)n1 ZINC000895670829 583706475 /nfs/dbraw/zinc/70/64/75/583706475.db2.gz GMDCSUDUSDWEJJ-UHFFFAOYSA-N 2 0 248.374 1.778 20 0 BDADRP C[C@@H]1[C@H](Nc2cc(N)[nH+]cc2Cl)CC[N@@H+]1C ZINC000895735484 583717357 /nfs/dbraw/zinc/71/73/57/583717357.db2.gz VHRJMETYYLUMRM-VXNVDRBHSA-N 2 0 240.738 1.822 20 0 BDADRP CCO[C@@H](CNc1cc(C)cc[nH+]1)C[NH+](C)C ZINC000896117356 583772313 /nfs/dbraw/zinc/77/23/13/583772313.db2.gz MIBZPVFAHQJFJU-LBPRGKRZSA-N 2 0 237.347 1.769 20 0 BDADRP CC[NH+](CC)[C@H](C)CNc1cc[nH+]c(CO)c1 ZINC000858345904 588947549 /nfs/dbraw/zinc/94/75/49/588947549.db2.gz AXRAHBLSVPUBND-LLVKDONJSA-N 2 0 237.347 1.716 20 0 BDADRP C[C@@H](CNc1cc[nH+]c(CO)c1)C[NH+]1CCCC1 ZINC000858356491 588948498 /nfs/dbraw/zinc/94/84/98/588948498.db2.gz XYDQPEBYXKFEDZ-LBPRGKRZSA-N 2 0 249.358 1.718 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC000897810898 584046593 /nfs/dbraw/zinc/04/65/93/584046593.db2.gz PWZXFZXHRSGNFY-BJJPWKGXSA-N 2 0 236.359 1.094 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@H]2COC[C@H]2C2CC2)CC1 ZINC000898377621 584112623 /nfs/dbraw/zinc/11/26/23/584112623.db2.gz WKPDSXIKEMSIPB-UONOGXRCSA-N 2 0 238.375 1.343 20 0 BDADRP CC1(C)CC[C@H](CN[C@@H]2CCC[C@H]([NH3+])C2)[NH2+]C1 ZINC000873236455 584127800 /nfs/dbraw/zinc/12/78/00/584127800.db2.gz HJASJIDCLJWQBT-YNEHKIRRSA-N 2 0 239.407 1.624 20 0 BDADRP CC(C)O[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C1(C)C ZINC000873254879 584128037 /nfs/dbraw/zinc/12/80/37/584128037.db2.gz APLMUJZWUFOGIX-LPWJVIDDSA-N 2 0 240.391 1.905 20 0 BDADRP C[NH+](C)[C@@H]1CCCN(c2cc[nH+]c(CO)c2)CC1 ZINC000858515401 588962290 /nfs/dbraw/zinc/96/22/90/588962290.db2.gz KDZASVXXGCFTBD-CYBMUJFWSA-N 2 0 249.358 1.494 20 0 BDADRP C[C@@H](NC(=[NH2+])NC[C@H](C1CC1)[NH+](C)C)C1CC1 ZINC000899264640 584189242 /nfs/dbraw/zinc/18/92/42/584189242.db2.gz IXPGKTVOIRWEQN-BXKDBHETSA-N 2 0 238.379 1.239 20 0 BDADRP C[NH2+][C@H](C)Cc1noc(C[C@H]([NH3+])CC(C)C)n1 ZINC000900008306 584264920 /nfs/dbraw/zinc/26/49/20/584264920.db2.gz DMKWXEGKAFSREV-NXEZZACHSA-N 2 0 240.351 1.136 20 0 BDADRP CCn1cnc(C[NH2+]CCCC[NH+](C)C)c1 ZINC000902131258 584529629 /nfs/dbraw/zinc/52/96/29/584529629.db2.gz RYVZNQGBKIEKRG-UHFFFAOYSA-N 2 0 224.352 1.334 20 0 BDADRP CCn1cnc(CNCC[N@H+](CC)C(C)C)c1 ZINC000902164252 584533449 /nfs/dbraw/zinc/53/34/49/584533449.db2.gz DFWVKDDRWIPENV-UHFFFAOYSA-N 2 0 238.379 1.723 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H]2CCCCO2)C1 ZINC000902320738 584552419 /nfs/dbraw/zinc/55/24/19/584552419.db2.gz RYCKFRGJPKBROF-STQMWFEESA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H](O)C[C@H](C)C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902326043 584560528 /nfs/dbraw/zinc/56/05/28/584560528.db2.gz BLIZVKMOGBNLRU-AVGNSLFASA-N 2 0 242.407 1.761 20 0 BDADRP CO[C@@H](C)[C@H](C)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902375089 584567179 /nfs/dbraw/zinc/56/71/79/584567179.db2.gz ABHBAEYTAPHYHD-SRVKXCTJSA-N 2 0 228.380 1.778 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@H]2CC[C@H](O)C2)C1 ZINC000902378160 584568521 /nfs/dbraw/zinc/56/85/21/584568521.db2.gz UOFKJXVPOPERIE-AVGNSLFASA-N 2 0 240.391 1.515 20 0 BDADRP CC(C)[C@@](C)(O)C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902362114 584571963 /nfs/dbraw/zinc/57/19/63/584571963.db2.gz WBFVEXVHASJQIE-JSGCOSHPSA-N 2 0 242.407 1.761 20 0 BDADRP CC(C)CO[C@H]1C[C@@H]([NH2+]CC2([NH3+])CC2)C1(C)C ZINC000902412460 584576170 /nfs/dbraw/zinc/57/61/70/584576170.db2.gz AHGMHUBCFLNHBQ-NEPJUHHUSA-N 2 0 240.391 1.907 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@H](O)C2CCC2)C1 ZINC000902386283 584578025 /nfs/dbraw/zinc/57/80/25/584578025.db2.gz DXNSXXWNMATXEF-CHWSQXEVSA-N 2 0 240.391 1.515 20 0 BDADRP C[C@@H](O)CCC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902385345 584578682 /nfs/dbraw/zinc/57/86/82/584578682.db2.gz ZUYNUWWMYKIEPH-NEPJUHHUSA-N 2 0 228.380 1.515 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902387795 584579702 /nfs/dbraw/zinc/57/97/02/584579702.db2.gz LLIPVSKTEWISJP-JHJVBQTASA-N 2 0 240.391 1.922 20 0 BDADRP CC1(C)C[NH2+]CC[C@H](NC[C@@H]([NH3+])C2CC2)C1 ZINC000902392431 584582685 /nfs/dbraw/zinc/58/26/85/584582685.db2.gz HFRGAQMGZIDYKX-NWDGAFQWSA-N 2 0 225.380 1.092 20 0 BDADRP CC[C@H]([NH3+])CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902392868 584583415 /nfs/dbraw/zinc/58/34/15/584583415.db2.gz LCUKXTLFPQEOQK-QWRGUYRKSA-N 2 0 213.369 1.092 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C1 ZINC000902393601 584583499 /nfs/dbraw/zinc/58/34/99/584583499.db2.gz QZBOCNSBMNUMAN-STQMWFEESA-N 3 0 239.407 1.354 20 0 BDADRP CC[C@@H]([NH3+])CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902392866 584583740 /nfs/dbraw/zinc/58/37/40/584583740.db2.gz LCUKXTLFPQEOQK-GHMZBOCLSA-N 2 0 213.369 1.092 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902392539 584584151 /nfs/dbraw/zinc/58/41/51/584584151.db2.gz JHYYFNHMBHDIEU-NWDGAFQWSA-N 2 0 227.396 1.338 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@H]1N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902394999 584584393 /nfs/dbraw/zinc/58/43/93/584584393.db2.gz ZNYMLIHQZSLLMS-FRRDWIJNSA-N 2 0 239.407 1.352 20 0 BDADRP CC(C)([NH3+])CCN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902402223 584587307 /nfs/dbraw/zinc/58/73/07/584587307.db2.gz JENIAEMEDABCSF-NSHDSACASA-N 2 0 227.396 1.482 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C1 ZINC000902403183 584588430 /nfs/dbraw/zinc/58/84/30/584588430.db2.gz DNPXWJGQMFMNGE-IJLUTSLNSA-N 3 0 225.380 1.092 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000902428000 584594218 /nfs/dbraw/zinc/59/42/18/584594218.db2.gz AEAZCAISSFEXGB-CYDGBPFRSA-N 2 0 228.380 1.643 20 0 BDADRP CC1(C)C[NH2+]C[C@@H]1N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000902443208 584598212 /nfs/dbraw/zinc/59/82/12/584598212.db2.gz KQFJPHQOQRRZPU-TUAOUCFPSA-N 2 0 225.380 1.092 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cnn(CCF)c2)C1 ZINC000902445332 584598955 /nfs/dbraw/zinc/59/89/55/584598955.db2.gz KYUDWDSTMHDJJE-VXGBXAGGSA-N 2 0 240.326 1.212 20 0 BDADRP C[C@H](CCc1ccco1)[NH2+]CC1(N)CC1 ZINC000902414820 584600436 /nfs/dbraw/zinc/60/04/36/584600436.db2.gz CXLMBLQWHRWXIL-SNVBAGLBSA-N 2 0 208.305 1.682 20 0 BDADRP NC1(C[NH2+][C@H]2CCc3ccccc3C2)CC1 ZINC000902414516 584600701 /nfs/dbraw/zinc/60/07/01/584600701.db2.gz CEFGVUKRVXARAB-ZDUSSCGKSA-N 2 0 216.328 1.625 20 0 BDADRP C1C[C@@H]2[NH2+][C@H]1C[C@H]2[NH2+]C1CCSCC1 ZINC000902473120 584600891 /nfs/dbraw/zinc/60/08/91/584600891.db2.gz RKEFJCTVLJEDHQ-OUAUKWLOSA-N 2 0 212.362 1.365 20 0 BDADRP CC[C@@H](NC[C@H]1CCCCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000902476643 584602836 /nfs/dbraw/zinc/60/28/36/584602836.db2.gz NGNNFNBAIQAOBI-MCIONIFRSA-N 2 0 239.407 1.639 20 0 BDADRP CCC[NH+]1CCC(N[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000902447095 584603944 /nfs/dbraw/zinc/60/39/44/584603944.db2.gz RRLNSUHRQBBKNA-CYBMUJFWSA-N 2 0 239.407 1.448 20 0 BDADRP CC[C@@H](N[C@@H]1C[NH2+]CC1(C)C)[C@@H]1CCC[NH2+]1 ZINC000902447530 584604606 /nfs/dbraw/zinc/60/46/06/584604606.db2.gz YZSZWVZORUVUIG-GRYCIOLGSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)C1CC[NH+](C)CC1 ZINC000902449080 584605597 /nfs/dbraw/zinc/60/55/97/584605597.db2.gz LUZDHJHXEXDGDO-WCQYABFASA-N 3 0 239.407 1.304 20 0 BDADRP C[C@@H]1C[C@@H](N[C@H]2C[NH2+]CC2(C)C)CC[N@@H+]1C ZINC000902449779 584606462 /nfs/dbraw/zinc/60/64/62/584606462.db2.gz QDURAGXNBVTIKL-WOPDTQHZSA-N 2 0 225.380 1.057 20 0 BDADRP C[C@H]([NH2+][C@H]1C[NH2+]CC1(C)C)[C@H]1CCCOC1 ZINC000902451385 584607133 /nfs/dbraw/zinc/60/71/33/584607133.db2.gz XEWKMVRBHCUYPU-SRVKXCTJSA-N 2 0 226.364 1.389 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc3nonc3c2)C1 ZINC000902452808 584607963 /nfs/dbraw/zinc/60/79/63/584607963.db2.gz BDKBPNHJMBQWMO-QWRGUYRKSA-N 2 0 246.314 1.582 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NCC[N@@H+]1CCC(C)(C)C1 ZINC000902455124 584609386 /nfs/dbraw/zinc/60/93/86/584609386.db2.gz JDVWRVXEMIYSNY-RYUDHWBXSA-N 2 0 227.396 1.434 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CCN1CCC(C)(C)C1 ZINC000902456239 584610038 /nfs/dbraw/zinc/61/00/38/584610038.db2.gz NVUGFWLIEUHCAS-ZDUSSCGKSA-N 2 0 241.423 1.825 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H]21 ZINC000902456803 584610154 /nfs/dbraw/zinc/61/01/54/584610154.db2.gz PPTAVEVIUQPNJB-WHCZJHEKSA-N 2 0 238.375 1.517 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCCC(C)(C)O1)C1C[NH2+]C1 ZINC000902461543 584611723 /nfs/dbraw/zinc/61/17/23/584611723.db2.gz ONERMZIBKQHWCE-ZYHUDNBSSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@H]1C[C@@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C[N@@H+]1C1CC1 ZINC000902465012 584613407 /nfs/dbraw/zinc/61/34/07/584613407.db2.gz FPECVYALCYHSLE-APLVYKGISA-N 2 0 235.375 1.094 20 0 BDADRP C1C[NH2+][C@H]([C@H]2CCC[C@H]2N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC000902468234 584614829 /nfs/dbraw/zinc/61/48/29/584614829.db2.gz RYVKVTVASFOMKP-JSLGZRHDSA-N 2 0 249.402 1.390 20 0 BDADRP C[N@@H+]1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)[C@@H]2CCC[C@H]21 ZINC000902469196 584615926 /nfs/dbraw/zinc/61/59/26/584615926.db2.gz YXFWHCNSIRCEOQ-MNQBEEPXSA-N 2 0 249.402 1.342 20 0 BDADRP CC(C)[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C1CC1 ZINC000902471950 584617614 /nfs/dbraw/zinc/61/76/14/584617614.db2.gz VGXSIXXNCPMDCR-LOWDOPEQSA-N 2 0 208.349 1.904 20 0 BDADRP Cn1ncc2c1CCC[C@@H]2[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902490705 584618167 /nfs/dbraw/zinc/61/81/67/584618167.db2.gz SKICBABXFCUYCL-NHCYSSNCSA-N 2 0 234.347 1.124 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC[C@@H](O)C1CC1 ZINC000902503716 584620638 /nfs/dbraw/zinc/62/06/38/584620638.db2.gz JSLPVVPNBRRFSH-KGYLQXTDSA-N 2 0 226.364 1.125 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CC[C@H](O)C1CC1 ZINC000902505844 584621306 /nfs/dbraw/zinc/62/13/06/584621306.db2.gz VFMKTVWXUVRPNH-JQWIXIFHSA-N 2 0 214.353 1.255 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)CCO1 ZINC000902485773 584625172 /nfs/dbraw/zinc/62/51/72/584625172.db2.gz OBVLGLBUMFFMTQ-LPWJVIDDSA-N 2 0 226.364 1.517 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C12CCC2 ZINC000902486134 584625509 /nfs/dbraw/zinc/62/55/09/584625509.db2.gz PWSZBQUFRADMMT-LPWJVIDDSA-N 2 0 238.375 1.661 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C1(C)C ZINC000902486682 584625789 /nfs/dbraw/zinc/62/57/89/584625789.db2.gz HUSOLVMNMQNFDA-FIQHERPVSA-N 2 0 226.364 1.517 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)c2nccn21 ZINC000902487312 584625883 /nfs/dbraw/zinc/62/58/83/584625883.db2.gz SUEQTTJCBZMIQE-GWOFURMSSA-N 2 0 220.320 1.216 20 0 BDADRP [NH3+]CCC[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccccc1 ZINC000902489501 584627261 /nfs/dbraw/zinc/62/72/61/584627261.db2.gz QJHOVZXMADVBNE-QEJZJMRPSA-N 3 0 247.386 1.794 20 0 BDADRP Cc1ncccc1CC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000902514148 584629521 /nfs/dbraw/zinc/62/95/21/584629521.db2.gz RAALDYZRISFGJE-DOMZBBRYSA-N 2 0 247.386 1.910 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]C/C=C\Cl)C12CCC2 ZINC000902516020 584630176 /nfs/dbraw/zinc/63/01/76/584630176.db2.gz BSGMFXDIEMXBEP-GSPJQOMYSA-N 2 0 200.713 1.598 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1COC[C@H]1C1CC1 ZINC000902522032 584631555 /nfs/dbraw/zinc/63/15/55/584631555.db2.gz VKGYCAZZEVZFJD-FSZOTQKASA-N 2 0 212.337 1.127 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@H]1COC[C@H]1C1CC1 ZINC000902522108 584631897 /nfs/dbraw/zinc/63/18/97/584631897.db2.gz WKDCMRFKUZVPPI-CRWXNKLISA-N 2 0 238.375 1.661 20 0 BDADRP C1CC1[C@@H]1COC[C@@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000902522425 584632033 /nfs/dbraw/zinc/63/20/33/584632033.db2.gz WUXPDPGHYQTGTG-AGIUHOORSA-N 2 0 224.348 1.143 20 0 BDADRP Cl/C=C\C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000902523056 584632209 /nfs/dbraw/zinc/63/22/09/584632209.db2.gz ZTHYTBKPLLNAJJ-CMRCIYJBSA-N 2 0 214.740 1.717 20 0 BDADRP C[N@@H+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000903091108 584725708 /nfs/dbraw/zinc/72/57/08/584725708.db2.gz NHXWBDDBPQOSBA-YPRXJGMQSA-N 2 0 249.402 1.438 20 0 BDADRP CO[C@H]1CCC[C@@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000903183779 584733768 /nfs/dbraw/zinc/73/37/68/584733768.db2.gz QOAUOQAZJBSUDK-KBPBESRZSA-N 2 0 245.326 1.991 20 0 BDADRP C[C@@H]1COC[C@H]1[NH2+]CCN1CCC(C)(C)C1 ZINC000903345700 584752926 /nfs/dbraw/zinc/75/29/26/584752926.db2.gz YUOXQDWWXDSOBT-VXGBXAGGSA-N 2 0 226.364 1.343 20 0 BDADRP C[C@@H]1COC[C@@H]1[NH2+]CCN1CCC(C)(C)C1 ZINC000903345692 584752989 /nfs/dbraw/zinc/75/29/89/584752989.db2.gz YUOXQDWWXDSOBT-NEPJUHHUSA-N 2 0 226.364 1.343 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000903430774 584761353 /nfs/dbraw/zinc/76/13/53/584761353.db2.gz ASROMNSAMZYJHW-UPJWGTAASA-N 2 0 248.374 1.445 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000903423400 584764699 /nfs/dbraw/zinc/76/46/99/584764699.db2.gz UTTDZLDCFLVDEP-LBPRGKRZSA-N 2 0 229.327 1.949 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCCOC1 ZINC000903458686 584764926 /nfs/dbraw/zinc/76/49/26/584764926.db2.gz GZPSWXSJZBELQE-LOWDOPEQSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCCO1 ZINC000903458857 584765817 /nfs/dbraw/zinc/76/58/17/584765817.db2.gz LSMRMNKMXTYUMZ-WYUUTHIRSA-N 2 0 212.337 1.271 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H](n3ccnn3)C2)C1 ZINC000903459422 584765995 /nfs/dbraw/zinc/76/59/95/584765995.db2.gz JQYKQOTWDBEIQJ-YNEHKIRRSA-N 2 0 249.362 1.042 20 0 BDADRP C[C@H]1CC2(C[N@@H+]1C[C@H]1CCC[NH2+]1)CC[NH2+]CC2 ZINC000903459918 584766657 /nfs/dbraw/zinc/76/66/57/584766657.db2.gz QUFJOXITFIOHSD-QWHCGFSZSA-N 3 0 237.391 1.202 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC(c3ncc[nH]3)CC2)C1 ZINC000903442398 584767292 /nfs/dbraw/zinc/76/72/92/584767292.db2.gz OLQADDRXPYVOQV-WCQYABFASA-N 2 0 248.374 1.717 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3[NH3+])C1 ZINC000903447271 584770674 /nfs/dbraw/zinc/77/06/74/584770674.db2.gz MERICQXYBQHYQM-MQLXINIDSA-N 3 0 237.391 1.173 20 0 BDADRP C(C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)OC1CC1 ZINC000903453993 584772645 /nfs/dbraw/zinc/77/26/45/584772645.db2.gz QTWQZRVGGXUFHW-ZDUSSCGKSA-N 2 0 224.348 1.241 20 0 BDADRP CC[N@@H+]1C[C@H](C)N(C[C@H]2CCC[NH2+]2)C[C@@H]1C ZINC000903454396 584773242 /nfs/dbraw/zinc/77/32/42/584773242.db2.gz BIMBVPSJVNRTKE-RWMBFGLXSA-N 2 0 225.380 1.153 20 0 BDADRP CCN1C[C@H](C)[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H]1C ZINC000903455338 584774223 /nfs/dbraw/zinc/77/42/23/584774223.db2.gz UPTDOFRXUZZLCS-RQJABVFESA-N 2 0 239.407 1.528 20 0 BDADRP CSCCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903471538 584775717 /nfs/dbraw/zinc/77/57/17/584775717.db2.gz SYBZEVRZBVJZDQ-JTQLQIEISA-N 2 0 214.378 1.614 20 0 BDADRP C[N@@H+]1CC[C@H]2CN(C[C@@H]3CC[C@H]([NH3+])C3)CC[C@H]21 ZINC000903475820 584776690 /nfs/dbraw/zinc/77/66/90/584776690.db2.gz FADXWBLHPNWVPQ-ZOBORPQBSA-N 2 0 237.391 1.140 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000903476312 584777321 /nfs/dbraw/zinc/77/73/21/584777321.db2.gz UGXJDEFBVZWLFG-VOAKCMCISA-N 2 0 240.416 1.527 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)C1 ZINC000903481910 584777764 /nfs/dbraw/zinc/77/77/64/584777764.db2.gz QBCYSFAEBUYJEM-FQUUOJAGSA-N 2 0 238.375 1.615 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN(C)C1(C[NH3+])CCCCC1 ZINC000903482636 584778523 /nfs/dbraw/zinc/77/85/23/584778523.db2.gz NNHKSASKKQEOJE-OLZOCXBDSA-N 2 0 239.407 1.435 20 0 BDADRP [NH3+]CCCCCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903483032 584778874 /nfs/dbraw/zinc/77/88/74/584778874.db2.gz BLVJTQFAEDLYDB-CYBMUJFWSA-N 3 0 239.407 1.770 20 0 BDADRP CN(CCCCCC[NH3+])C[C@H]1CCC[NH2+]1 ZINC000903482329 584778953 /nfs/dbraw/zinc/77/89/53/584778953.db2.gz CJDCGIZASMLZRC-GFCCVEGCSA-N 2 0 213.369 1.189 20 0 BDADRP CC(C)OC(=O)CC[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903500199 584779819 /nfs/dbraw/zinc/77/98/19/584779819.db2.gz VJNNTXKEAGODQZ-VXGBXAGGSA-N 2 0 242.363 1.245 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CCO[C@H]2C)C[C@H]1CC[NH3+] ZINC000903498858 584779844 /nfs/dbraw/zinc/77/98/44/584779844.db2.gz LRQMDRSDHQOLJI-YVECIDJPSA-N 2 0 226.364 1.328 20 0 BDADRP C[C@H]1CCOCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000903708515 584791505 /nfs/dbraw/zinc/79/15/05/584791505.db2.gz XYTZUMHJRPFZAJ-NSHDSACASA-N 2 0 212.337 1.097 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](Cc2ccccc2CF)C1 ZINC000903717061 584792154 /nfs/dbraw/zinc/79/21/54/584792154.db2.gz YNWNSPQICOTZGU-NSHDSACASA-N 2 0 222.307 1.937 20 0 BDADRP CC(C)[C@@H]([NH3+])CCN(C)C[C@H]1CCCC[NH2+]C1 ZINC000903717157 584792246 /nfs/dbraw/zinc/79/22/46/584792246.db2.gz IDEPSATZMCOYEG-KBPBESRZSA-N 2 0 241.423 1.681 20 0 BDADRP C[C@]1(C2CC2)COCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000903712692 584793239 /nfs/dbraw/zinc/79/32/39/584793239.db2.gz RGWNLOKJFMJVPV-CQSZACIVSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)[C@@H]1C ZINC000903731615 584793244 /nfs/dbraw/zinc/79/32/44/584793244.db2.gz BVSZPPKKSLJLMW-YIYPIFLZSA-N 2 0 238.375 1.485 20 0 BDADRP C([C@H]1CCCC[NH2+]C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000903744527 584796652 /nfs/dbraw/zinc/79/66/52/584796652.db2.gz UKNTUVKBKVQYPV-UONOGXRCSA-N 2 0 237.391 1.062 20 0 BDADRP CCC[C@H]1C[NH2+]CCN1C[C@@H]1CCCC[NH2+]C1 ZINC000903743343 584796932 /nfs/dbraw/zinc/79/69/32/584796932.db2.gz ISOJMIOBVZFFFR-KGLIPLIRSA-N 2 0 239.407 1.450 20 0 BDADRP CC1CC(C[N@@H+]2CCCO[C@H](C[NH3+])C2)C1 ZINC000903761594 584797430 /nfs/dbraw/zinc/79/74/30/584797430.db2.gz WWNKAEXLPCPQKJ-HTAVTVPLSA-N 2 0 212.337 1.082 20 0 BDADRP CC1CC(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)C1 ZINC000903761595 584797677 /nfs/dbraw/zinc/79/76/77/584797677.db2.gz WWNKAEXLPCPQKJ-MCIGGMRASA-N 2 0 212.337 1.082 20 0 BDADRP C[C@H](O)C[N@H+](C[C@H]1CCCC[NH2+]C1)C1CC1 ZINC000903767191 584798009 /nfs/dbraw/zinc/79/80/09/584798009.db2.gz FFNNBRUJRLMCHR-RYUDHWBXSA-N 2 0 226.364 1.221 20 0 BDADRP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[NH+](C1CC1)C1CC1 ZINC000903770852 584798603 /nfs/dbraw/zinc/79/86/03/584798603.db2.gz ZLZSJFBOWTXBMB-KGLIPLIRSA-N 2 0 236.359 1.382 20 0 BDADRP CC1(C)C[C@H](O)C[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903778027 584799496 /nfs/dbraw/zinc/79/94/96/584799496.db2.gz IUGZKINHEJKNOG-STQMWFEESA-N 2 0 240.391 1.469 20 0 BDADRP C([C@H]1CCCC[NH2+]C1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000903781341 584799636 /nfs/dbraw/zinc/79/96/36/584799636.db2.gz QSLQIYJAWGZDHS-IHRRRGAJSA-N 2 0 237.391 1.202 20 0 BDADRP C[NH2+]C[C@H]1CCCCN1C[C@@H]1CCCC[NH2+]C1 ZINC000903783356 584800073 /nfs/dbraw/zinc/80/00/73/584800073.db2.gz WYPBTDCBXPBYFC-ZIAGYGMSSA-N 2 0 239.407 1.450 20 0 BDADRP CCN(C[C@H]1CCCC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000903783846 584800349 /nfs/dbraw/zinc/80/03/49/584800349.db2.gz FJDRYIOUFVJTKN-STQMWFEESA-N 2 0 225.380 1.060 20 0 BDADRP [NH3+]C[C@]12CC[C@@H]1CCCN2C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903805950 584803050 /nfs/dbraw/zinc/80/30/50/584803050.db2.gz SLGIZWQCPHAZBS-ZOBORPQBSA-N 2 0 237.391 1.317 20 0 BDADRP C[C@]12C[N@H+](C[C@H]3CC[NH2+]C3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000903827483 584804793 /nfs/dbraw/zinc/80/47/93/584804793.db2.gz UIDSJXUTWQRYOC-SBJFKYEJSA-N 2 0 232.371 1.740 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCCSC[C@H]1C1CC1 ZINC000903827432 584804824 /nfs/dbraw/zinc/80/48/24/584804824.db2.gz SJKQLFIVSKNMNX-LBPRGKRZSA-N 2 0 228.405 1.813 20 0 BDADRP C[C@H]1C[N@H+](CCC[NH3+])CCN1c1ccccc1 ZINC000903832875 584806212 /nfs/dbraw/zinc/80/62/12/584806212.db2.gz SDXKFSYSMCWUIA-ZDUSSCGKSA-N 2 0 233.359 1.546 20 0 BDADRP [NH3+]CCCCCCC[N@@H+]1CC[C@H](O)[C@H](F)C1 ZINC000903840488 584807276 /nfs/dbraw/zinc/80/72/76/584807276.db2.gz RILNTFGKSXCMIB-NEPJUHHUSA-N 2 0 232.343 1.300 20 0 BDADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CC=CC1)C2 ZINC000903842991 584807778 /nfs/dbraw/zinc/80/77/78/584807778.db2.gz ZYJVMTOJSYOEAQ-XQQFMLRXSA-N 2 0 206.333 1.764 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@@H]2CC[C@]21CN ZINC000903856577 584808706 /nfs/dbraw/zinc/80/87/06/584808706.db2.gz ADONPZXHGNCRAC-RNJOBUHISA-N 2 0 224.348 1.225 20 0 BDADRP NC[C@]12CC[C@H]1CC[N@@H+]2CC[C@H]1CCCO1 ZINC000903856547 584809228 /nfs/dbraw/zinc/80/92/28/584809228.db2.gz ABOKYPBBFDCKFI-YNEHKIRRSA-N 2 0 224.348 1.369 20 0 BDADRP NC[C@@]12CC[C@H]1CC[N@@H+]2CCC1CC[NH2+]CC1 ZINC000903854126 584809412 /nfs/dbraw/zinc/80/94/12/584809412.db2.gz IDILPSJETCNEKE-KBPBESRZSA-N 2 0 237.391 1.189 20 0 BDADRP NC[C@]12CC[C@@H]1CC[N@@H+]2CC[C@H]1CCC[NH2+]C1 ZINC000903857946 584810449 /nfs/dbraw/zinc/81/04/49/584810449.db2.gz GXKZYHDUBMWFCZ-MGPQQGTHSA-N 2 0 237.391 1.189 20 0 BDADRP Cc1cnccc1CN1CCC[C@@]12CC[NH2+]C2 ZINC000903869054 584814036 /nfs/dbraw/zinc/81/40/36/584814036.db2.gz AADLOADIURDBIQ-AWEZNQCLSA-N 2 0 231.343 1.718 20 0 BDADRP C[C@]12CSC[C@H]1C[N@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000903869986 584814646 /nfs/dbraw/zinc/81/46/46/584814646.db2.gz BAARVZCONUCELA-UTUOFQBUSA-N 2 0 226.389 1.281 20 0 BDADRP [NH3+]CCCCCCN1CCC[C@@]12CC[NH2+]C2 ZINC000903870280 584814750 /nfs/dbraw/zinc/81/47/50/584814750.db2.gz MCIYRBTUTVNQHQ-ZDUSSCGKSA-N 2 0 225.380 1.333 20 0 BDADRP O[C@H](CN1CCC[C@@]12CC[NH2+]C2)c1ccccc1 ZINC000903871429 584815626 /nfs/dbraw/zinc/81/56/26/584815626.db2.gz UKPSHAGEXOHHRC-CABCVRRESA-N 2 0 246.354 1.548 20 0 BDADRP C[C@@H]1C[C@@H](N(C)C[C@@H]([NH3+])CC(F)F)CC[N@@H+]1C ZINC000903895639 584819932 /nfs/dbraw/zinc/81/99/32/584819932.db2.gz PLBOLYHWQZNNJE-VWYCJHECSA-N 2 0 249.349 1.383 20 0 BDADRP C[C@H](O)C[N@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000903903779 584821317 /nfs/dbraw/zinc/82/13/17/584821317.db2.gz NBQZBFAWEIDFME-NSHDSACASA-N 2 0 234.343 1.145 20 0 BDADRP [NH3+]CC[C@H]1CCCCN1C[C@@H]([NH3+])CC(F)F ZINC000903918413 584822319 /nfs/dbraw/zinc/82/23/19/584822319.db2.gz ZCMNLNIDRXHJTL-VHSXEESVSA-N 2 0 235.322 1.172 20 0 BDADRP [NH3+]CC[C@H](NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(F)F ZINC000903918508 584822601 /nfs/dbraw/zinc/82/26/01/584822601.db2.gz ARWLLCJUJTVAPF-GYIHNLGQSA-N 2 0 247.333 1.089 20 0 BDADRP N[C@H](C[NH2+]CCC[C@H]1CCC[NH2+]1)CC(F)F ZINC000903920969 584823192 /nfs/dbraw/zinc/82/31/92/584823192.db2.gz YXBGYKJQEKBNKF-UWVGGRQHSA-N 2 0 235.322 1.091 20 0 BDADRP CC[C@H]([NH2+]C[C@H]([NH3+])CC(F)F)[C@H]1CCCO1 ZINC000903923362 584823603 /nfs/dbraw/zinc/82/36/03/584823603.db2.gz RRPCCWOLHVBRSI-KXUCPTDWSA-N 2 0 236.306 1.516 20 0 BDADRP c1nnn([C@@H]2CCC[NH2+]C2)c1C[NH2+]CCC1CC1 ZINC000903923514 584823808 /nfs/dbraw/zinc/82/38/08/584823808.db2.gz WBQNYCJYFBUNIZ-GFCCVEGCSA-N 2 0 249.362 1.092 20 0 BDADRP C[N@H+](CCNC[C@H]([NH3+])CC(F)F)C1CCCC1 ZINC000903923440 584823939 /nfs/dbraw/zinc/82/39/39/584823939.db2.gz UJCOHNMWQWABRS-SNVBAGLBSA-N 2 0 249.349 1.433 20 0 BDADRP Cc1cccc(CC[NH2+]C[C@@H]([NH3+])CC(F)F)n1 ZINC000903928342 584824295 /nfs/dbraw/zinc/82/42/95/584824295.db2.gz XSGRPVOWKDGWTK-JTQLQIEISA-N 2 0 243.301 1.505 20 0 BDADRP OCC[C@@H]1CCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903929392 584824329 /nfs/dbraw/zinc/82/43/29/584824329.db2.gz DHIDQOFUZPUWFU-GSPSYOTPSA-N 2 0 238.375 1.364 20 0 BDADRP C[C@@H](O)C[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000903932834 584824884 /nfs/dbraw/zinc/82/48/84/584824884.db2.gz WHPRWFLPGDPNDA-ODWCKFRGSA-N 2 0 238.375 1.362 20 0 BDADRP [NH3+][C@@H](CC(F)F)CN1CCCCC[C@H]([NH3+])C1 ZINC000903934198 584824917 /nfs/dbraw/zinc/82/49/17/584824917.db2.gz DHSNJMGGMGHCPS-UWVGGRQHSA-N 2 0 235.322 1.172 20 0 BDADRP Cc1c(C[C@@H](C[NH3+])C[NH2+][C@H]2C=CCC2)cnn1C ZINC000903933316 584825101 /nfs/dbraw/zinc/82/51/01/584825101.db2.gz OVBURYZDIWQIQE-JSGCOSHPSA-N 2 0 248.374 1.154 20 0 BDADRP [NH3+][C@H](CN[C@H]1CC[NH2+]C12CCCC2)CC(F)F ZINC000903932875 584825352 /nfs/dbraw/zinc/82/53/52/584825352.db2.gz WVXNPAYCIZHWTI-UWVGGRQHSA-N 2 0 247.333 1.233 20 0 BDADRP [NH3+][C@H](CNCC1([NH3+])CCCCC1)CC(F)F ZINC000903918112 584827263 /nfs/dbraw/zinc/82/72/63/584827263.db2.gz SIZSJXXBBLFRPD-VIFPVBQESA-N 2 0 235.322 1.220 20 0 BDADRP CCOC[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903957906 584827529 /nfs/dbraw/zinc/82/75/29/584827529.db2.gz UJYSDNQQNWQYRS-ZJUUUORDSA-N 2 0 236.306 1.246 20 0 BDADRP CC(C)([NH3+])CC[NH2+]Cc1ccc2c(c1)C[NH2+]CC2 ZINC000903940130 584829093 /nfs/dbraw/zinc/82/90/93/584829093.db2.gz YCPHWDKSEBVONJ-UHFFFAOYSA-N 3 0 247.386 1.549 20 0 BDADRP CCC1([NH3+])CCN([C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000903948535 584830085 /nfs/dbraw/zinc/83/00/85/584830085.db2.gz QDEYKXIZFKUMOS-VXGBXAGGSA-N 2 0 225.380 1.460 20 0 BDADRP CCC1([NH3+])CC[NH+](C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000903947999 584830169 /nfs/dbraw/zinc/83/01/69/584830169.db2.gz KKLZWIDHQXNOQL-STQMWFEESA-N 3 0 239.407 1.578 20 0 BDADRP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]C[C@H]1CCCOC1 ZINC000903954237 584832269 /nfs/dbraw/zinc/83/22/69/584832269.db2.gz AZPUBKCKBPYWAH-GHMZBOCLSA-N 2 0 248.317 1.247 20 0 BDADRP FC1(F)CC[NH2+]C[C@H]1C[NH2+]C[C@H]1CCCOC1 ZINC000903954238 584832348 /nfs/dbraw/zinc/83/23/48/584832348.db2.gz AZPUBKCKBPYWAH-MNOVXSKESA-N 2 0 248.317 1.247 20 0 BDADRP COC[C@H](CC(C)C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903978792 584833033 /nfs/dbraw/zinc/83/30/33/584833033.db2.gz MKQLRBRQWJISIE-MCIONIFRSA-N 2 0 242.407 1.883 20 0 BDADRP CC[C@H]1C[C@H](C[NH2+][C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000903963714 584833460 /nfs/dbraw/zinc/83/34/60/584833460.db2.gz GQBSOCMSMBEXFO-FVCCEPFGSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1C[NH2+]C[C@H]1C ZINC000903964132 584833967 /nfs/dbraw/zinc/83/39/67/584833967.db2.gz MSQAOMGFEPLOBL-AAVRWANBSA-N 2 0 239.407 1.495 20 0 BDADRP COCc1cccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903964852 584834456 /nfs/dbraw/zinc/83/44/56/584834456.db2.gz SOBFBMRRPXWICW-DOMZBBRYSA-N 2 0 248.370 1.778 20 0 BDADRP Cc1cnccc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903967709 584834932 /nfs/dbraw/zinc/83/49/32/584834932.db2.gz LKWJVVJWWMZNEK-YPMHNXCESA-N 2 0 219.332 1.335 20 0 BDADRP Cc1ccc(CCC[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cn1 ZINC000903967471 584835191 /nfs/dbraw/zinc/83/51/91/584835191.db2.gz JRVCYRARCYRBIG-IUODEOHRSA-N 2 0 247.386 1.768 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903986042 584835550 /nfs/dbraw/zinc/83/55/50/584835550.db2.gz DYBIYDYKGSXSHS-WDEREUQCSA-N 2 0 213.369 1.029 20 0 BDADRP C[NH2+][C@H]1CCN(C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC000904297215 584860066 /nfs/dbraw/zinc/86/00/66/584860066.db2.gz IWUQPNVYGFPFBZ-RYUDHWBXSA-N 2 0 227.396 1.434 20 0 BDADRP C[NH2+]C1CCN(C[C@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904299255 584860156 /nfs/dbraw/zinc/86/01/56/584860156.db2.gz AGMGIXSQYOFBON-GFCCVEGCSA-N 2 0 241.423 1.824 20 0 BDADRP CN(C[C@H]([NH3+])CCC(C)(C)C)C1CC[NH2+]CC1 ZINC000904299997 584860446 /nfs/dbraw/zinc/86/04/46/584860446.db2.gz TWVHYIZZSLMRAN-GFCCVEGCSA-N 2 0 241.423 1.824 20 0 BDADRP C[C@H]1CN(C[C@H]([NH3+])CCC(C)(C)C)CC[NH2+]1 ZINC000904299515 584860609 /nfs/dbraw/zinc/86/06/09/584860609.db2.gz GKHWETXXFWJMEC-NWDGAFQWSA-N 2 0 227.396 1.434 20 0 BDADRP C[C@@H]1CN(C[C@H]([NH3+])CCC(C)(C)C)C[C@@H](C)[NH2+]1 ZINC000904299846 584860610 /nfs/dbraw/zinc/86/06/10/584860610.db2.gz PRVQSHAJGWNCTA-JHJVBQTASA-N 2 0 241.423 1.822 20 0 BDADRP CN(CCC[NH3+])C[C@@H]([NH3+])CCC(C)(C)C ZINC000904299748 584860699 /nfs/dbraw/zinc/86/06/99/584860699.db2.gz NJCVCSJPEXMBOI-NSHDSACASA-N 2 0 215.385 1.421 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CN1CCC[C@@H](C[NH3+])C1 ZINC000904300027 584860904 /nfs/dbraw/zinc/86/09/04/584860904.db2.gz UNVURRBJWGVIFW-STQMWFEESA-N 2 0 241.423 1.811 20 0 BDADRP CN(C[C@@H]([NH3+])CCC(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000904299676 584860913 /nfs/dbraw/zinc/86/09/13/584860913.db2.gz LLDCJPHEHBTSQI-RYUDHWBXSA-N 2 0 227.396 1.434 20 0 BDADRP CC(C)N(CCO)C[C@@H]([NH3+])CCC(C)(C)C ZINC000904304215 584862147 /nfs/dbraw/zinc/86/21/47/584862147.db2.gz VTQDRDVWPNUOIC-LBPRGKRZSA-N 2 0 230.396 1.843 20 0 BDADRP C[NH2+]C[C@H]1CCCN1Cc1ccc(C[NH3+])cc1 ZINC000904302825 584862258 /nfs/dbraw/zinc/86/22/58/584862258.db2.gz ZEBHESCVFMKWAU-CQSZACIVSA-N 3 0 233.359 1.329 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC(c3ncc[nH]3)CC2)C1 ZINC000904313881 584863348 /nfs/dbraw/zinc/86/33/48/584863348.db2.gz MNZHHKZCEWQFFP-KLPPZKSPSA-N 2 0 234.347 1.326 20 0 BDADRP CCOC[C@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904321823 584864833 /nfs/dbraw/zinc/86/48/33/584864833.db2.gz HMEBNCMIXVOEAI-RWMBFGLXSA-N 2 0 226.364 1.472 20 0 BDADRP Cc1nnc([C@H]2CCC[N@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)[nH]1 ZINC000904327572 584865344 /nfs/dbraw/zinc/86/53/44/584865344.db2.gz FPWCUXKJCBXQNM-SDDRHHMPSA-N 2 0 249.362 1.030 20 0 BDADRP Cn1ncc2c1CCC[C@@H]2[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904327102 584865641 /nfs/dbraw/zinc/86/56/41/584865641.db2.gz YZEJFMLLWVVJSW-LOWVWBTDSA-N 2 0 248.374 1.467 20 0 BDADRP C[N@H+](C[C@@H]1CCC[C@H]1O)C[C@]1(C)CCC[NH2+]C1 ZINC000904329504 584866192 /nfs/dbraw/zinc/86/61/92/584866192.db2.gz ZVRCOBFAWGCDIL-BFHYXJOUSA-N 2 0 240.391 1.469 20 0 BDADRP CCC[N@H+](CCN(CC)CC)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904333233 584866722 /nfs/dbraw/zinc/86/67/22/584866722.db2.gz VLGZGWXYMFCNQP-OKILXGFUSA-N 2 0 241.423 1.778 20 0 BDADRP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC000904334440 584866886 /nfs/dbraw/zinc/86/68/86/584866886.db2.gz WEFXTEFNDNWFHS-AWEZNQCLSA-N 3 0 233.359 1.316 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)C1 ZINC000904341233 584867030 /nfs/dbraw/zinc/86/70/30/584867030.db2.gz LKQPDLUGQQMFBZ-SOUVJXGZSA-N 2 0 245.370 1.683 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCCC3(CCOCC3)C2)C1 ZINC000904341725 584867265 /nfs/dbraw/zinc/86/72/65/584867265.db2.gz UOWXVATWRIKKOE-BETUJISGSA-N 2 0 238.375 1.616 20 0 BDADRP C[C@@H](O)C[C@@H]1CCCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904340924 584867496 /nfs/dbraw/zinc/86/74/96/584867496.db2.gz NZWRNMBHRPGALK-NDBYEHHHSA-N 2 0 226.364 1.349 20 0 BDADRP CC[C@]1(CO)CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904347743 584868103 /nfs/dbraw/zinc/86/81/03/584868103.db2.gz JOWFSAWQDMKECY-XQQFMLRXSA-N 2 0 226.364 1.208 20 0 BDADRP C[C@@]1(C[N@@H+]2CCOCC3(CC3)C2)CCC[NH2+]C1 ZINC000904346302 584868209 /nfs/dbraw/zinc/86/82/09/584868209.db2.gz QLYFNKKRZTWOPO-CYBMUJFWSA-N 2 0 238.375 1.489 20 0 BDADRP CCC[C@@]1(CO)CCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904345870 584868315 /nfs/dbraw/zinc/86/83/15/584868315.db2.gz KRFHSTKFJFZBBV-XQQFMLRXSA-N 2 0 226.364 1.351 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)C1 ZINC000904350502 584868714 /nfs/dbraw/zinc/86/87/14/584868714.db2.gz NKSUELOLIBTYFN-IGQOVBAYSA-N 3 0 237.391 1.045 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000904350647 584869195 /nfs/dbraw/zinc/86/91/95/584869195.db2.gz OBSAEGCFOQXYSZ-FOGDFJRCSA-N 2 0 219.332 1.856 20 0 BDADRP CN(Cc1ccc(C[NH3+])cc1)C1(C[NH3+])CCC1 ZINC000904351325 584869412 /nfs/dbraw/zinc/86/94/12/584869412.db2.gz XRUYOGFCPVPXQU-UHFFFAOYSA-N 2 0 233.359 1.459 20 0 BDADRP [NH3+]Cc1ccc(CN2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000904350717 584869482 /nfs/dbraw/zinc/86/94/82/584869482.db2.gz PVERPDXNSCTAHL-LSDHHAIUSA-N 2 0 245.370 1.329 20 0 BDADRP C[C@@]1(CNC[C@H]2CCCC[NH2+]2)CCC[NH2+]C1 ZINC000904353232 584869864 /nfs/dbraw/zinc/86/98/64/584869864.db2.gz JNGTZAJZFFKSTO-CHWSQXEVSA-N 3 0 225.380 1.108 20 0 BDADRP Cc1cc(N)cc(C[NH2+]C2CC(C[NH3+])C2)c1 ZINC000904354923 584870632 /nfs/dbraw/zinc/87/06/32/584870632.db2.gz LQINRIKUZYZHTB-UHFFFAOYSA-N 2 0 219.332 1.404 20 0 BDADRP CN(CC[NH3+])C[C@H]([NH3+])CCC(C)(C)C ZINC000904371838 584873213 /nfs/dbraw/zinc/87/32/13/584873213.db2.gz UPBRIQBQMKGHLQ-SNVBAGLBSA-N 2 0 201.358 1.031 20 0 BDADRP [NH3+]CC1CC([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000904355938 584871160 /nfs/dbraw/zinc/87/11/60/584871160.db2.gz XXSVUMFXFFDUGH-KETTVSFTSA-N 3 0 225.380 1.078 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@H]([NH3+])CCC(C)(C)C ZINC000904355648 584871467 /nfs/dbraw/zinc/87/14/67/584871467.db2.gz VMQWGJAUVVYOFF-VXGBXAGGSA-N 3 0 229.412 1.857 20 0 BDADRP [NH3+]CC1CC([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000904369095 584872733 /nfs/dbraw/zinc/87/27/33/584872733.db2.gz XQHMTIJFQGEDBR-RKJHCZSYSA-N 2 0 236.359 1.271 20 0 BDADRP C[C@@H](CC(C)(C)C)[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904369428 584873239 /nfs/dbraw/zinc/87/32/39/584873239.db2.gz VYNDGZHQZMVHPW-LBPRGKRZSA-N 2 0 241.423 1.824 20 0 BDADRP C[C@H]1CC[N@H+](Cc2ccc(C[NH3+])cc2)C[C@@H]1C[NH3+] ZINC000904372221 584873494 /nfs/dbraw/zinc/87/34/94/584873494.db2.gz ZSSIOLDTMIPQMQ-WFASDCNBSA-N 3 0 247.386 1.562 20 0 BDADRP Cc1ccccc1OCC[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904363984 584874319 /nfs/dbraw/zinc/87/43/19/584874319.db2.gz HNTPDQYVZIDLGH-BETUJISGSA-N 2 0 234.343 1.701 20 0 BDADRP CCc1noc(CC)c1C[NH2+]C1CC(C[NH3+])C1 ZINC000904364307 584874358 /nfs/dbraw/zinc/87/43/58/584874358.db2.gz URDKJHCYTPJQCF-UHFFFAOYSA-N 2 0 237.347 1.626 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+]CCc2ccccc2)C1 ZINC000904364285 584874464 /nfs/dbraw/zinc/87/44/64/584874464.db2.gz KXUFJGWLOTWNIO-BETUJISGSA-N 2 0 204.317 1.556 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NC[C@@]1(C)CCC[NH2+]C1 ZINC000904374933 584874512 /nfs/dbraw/zinc/87/45/12/584874512.db2.gz YLVKETCQDJEUMD-TUAOUCFPSA-N 2 0 213.369 1.092 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])C[NH2+]CCn1ccnc1 ZINC000904363751 584874550 /nfs/dbraw/zinc/87/45/50/584874550.db2.gz BRJYMVQZSLVKQU-LBPRGKRZSA-N 2 0 238.379 1.626 20 0 BDADRP CC(=O)Nc1cccc(C[NH2+]C2CC(C[NH3+])C2)c1 ZINC000904365324 584874720 /nfs/dbraw/zinc/87/47/20/584874720.db2.gz ZRDJYQBYPYMMHG-UHFFFAOYSA-N 2 0 247.342 1.472 20 0 BDADRP COc1ccccc1CC[NH2+]C1CC(C[NH3+])C1 ZINC000904364999 584874870 /nfs/dbraw/zinc/87/48/70/584874870.db2.gz VEFQKZLHUAHFAO-UHFFFAOYSA-N 2 0 234.343 1.565 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CNC[C@H]([NH3+])CCC(C)(C)C ZINC000904389499 584875444 /nfs/dbraw/zinc/87/54/44/584875444.db2.gz ZWXMKLYZTLRHDZ-FRRDWIJNSA-N 2 0 241.423 1.585 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@]3(CC3(F)F)C2)C1 ZINC000904375453 584875459 /nfs/dbraw/zinc/87/54/59/584875459.db2.gz ARROUIZTBJLTOK-AEJSXWLSSA-N 2 0 216.275 1.455 20 0 BDADRP COC[C@H](CC(C)(C)C)[NH2+]C1CC(C[NH3+])C1 ZINC000904375917 584875559 /nfs/dbraw/zinc/87/55/59/584875559.db2.gz KLBCBZXBXAAQNE-MCIGGMRASA-N 2 0 228.380 1.765 20 0 BDADRP C[C@]1(CN2C[C@H]3CCC[C@]3([NH3+])C2)CCC[NH2+]C1 ZINC000904380886 584876572 /nfs/dbraw/zinc/87/65/72/584876572.db2.gz PBTBENQOPNPTNW-RDBSUJKOSA-N 2 0 237.391 1.189 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CNCC12CC(C1)C[NH2+]2 ZINC000904378798 584876585 /nfs/dbraw/zinc/87/65/85/584876585.db2.gz LDZNZKCCZGIUSN-MBHSVXNSSA-N 2 0 239.407 1.482 20 0 BDADRP C[C@@H]1CC[C@@H](NCc2ccc(C[NH3+])cc2)C[NH2+]1 ZINC000904381151 584876695 /nfs/dbraw/zinc/87/66/95/584876695.db2.gz KXMJTJNLTMMHKR-BXUZGUMPSA-N 2 0 233.359 1.375 20 0 BDADRP CCN(CC[NH3+])C[C@H]([NH3+])CCC(C)(C)C ZINC000904379887 584876753 /nfs/dbraw/zinc/87/67/53/584876753.db2.gz DSURQUFBIGSATJ-LLVKDONJSA-N 2 0 215.385 1.421 20 0 BDADRP C[C@@H]1CC[C@@H](NC[C@@]2(C)CCC[NH2+]C2)C[NH2+]1 ZINC000904380817 584876760 /nfs/dbraw/zinc/87/67/60/584876760.db2.gz HMOFUHBBNGJHQQ-UPJWGTAASA-N 2 0 225.380 1.106 20 0 BDADRP C[NH2+]C[C@H](C)NC[C@@H]([NH3+])CCC(C)(C)C ZINC000904379985 584876780 /nfs/dbraw/zinc/87/67/80/584876780.db2.gz YUYMBUKLOPFXFA-QWRGUYRKSA-N 2 0 215.385 1.338 20 0 BDADRP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC000904383993 584877006 /nfs/dbraw/zinc/87/70/06/584877006.db2.gz GEGXQPAFVWHFFW-TZMCWYRMSA-N 3 0 239.407 1.354 20 0 BDADRP [NH3+]CCN1CCC([NH2+][C@@H]2CCCC23CC3)CC1 ZINC000904384002 584877516 /nfs/dbraw/zinc/87/75/16/584877516.db2.gz GLPDMEXPCZMQRZ-CYBMUJFWSA-N 2 0 237.391 1.332 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CNCCC(C)(C)[NH3+] ZINC000904386101 584877798 /nfs/dbraw/zinc/87/77/98/584877798.db2.gz PAKUQGOTQKEWPG-LLVKDONJSA-N 2 0 229.412 1.857 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccn(C)c2)CC[C@H]1C[NH3+] ZINC000904409370 584879145 /nfs/dbraw/zinc/87/91/45/584879145.db2.gz AIDYLWFCBLKEBY-YPMHNXCESA-N 2 0 221.348 1.442 20 0 BDADRP C[C@@H]1C[N@H+](Cc2nccn2C2CC2)CC[C@H]1C[NH3+] ZINC000904409603 584879147 /nfs/dbraw/zinc/87/91/47/584879147.db2.gz DJDKOGFURVXXJU-NEPJUHHUSA-N 2 0 248.374 1.635 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)CC[NH2+]1 ZINC000904410232 584879244 /nfs/dbraw/zinc/87/92/44/584879244.db2.gz MUUJLJBOKGZTPL-AAVRWANBSA-N 3 0 239.407 1.291 20 0 BDADRP C[C@@H]1C[N@H+](CC2(F)CC2)CC[C@@H]1C[NH3+] ZINC000904409743 584879280 /nfs/dbraw/zinc/87/92/80/584879280.db2.gz HMDWKTTZKSMIMH-NXEZZACHSA-N 2 0 200.301 1.405 20 0 BDADRP C[C@]1(C[N@@H+]2CC[C@@H](CC[NH3+])C2)CCC[NH2+]C1 ZINC000904407286 584879377 /nfs/dbraw/zinc/87/93/77/584879377.db2.gz SKUZCIDWLMVHEF-OLZOCXBDSA-N 3 0 225.380 1.047 20 0 BDADRP Cc1nn(C)cc1C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000904412179 584879591 /nfs/dbraw/zinc/87/95/91/584879591.db2.gz RUTMRIOKRARMCU-PWSUYJOCSA-N 2 0 236.363 1.145 20 0 BDADRP C[C@@H]1C[N@H+](CC2=CCCOC2)CC[C@H]1C[NH3+] ZINC000904411266 584879944 /nfs/dbraw/zinc/87/99/44/584879944.db2.gz SZVDQIVDSLEWKE-YPMHNXCESA-N 2 0 224.348 1.250 20 0 BDADRP Cc1nn(C)c(C)c1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904421101 584882252 /nfs/dbraw/zinc/88/22/52/584882252.db2.gz ONSFBIQGTOIXAY-QWHCGFSZSA-N 2 0 248.374 1.078 20 0 BDADRP Cc1cc(C[NH2+]CCOCC[NH+](C)C)c(C)o1 ZINC000788069643 584974920 /nfs/dbraw/zinc/97/49/20/584974920.db2.gz BNDCKMRIEVGMDT-UHFFFAOYSA-N 2 0 240.347 1.564 20 0 BDADRP CC[C@H](NCC[N@@H+]1CCC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000817914159 584991231 /nfs/dbraw/zinc/99/12/31/584991231.db2.gz UKRBKMCJWHDPAS-RDBSUJKOSA-N 2 0 239.407 1.591 20 0 BDADRP CCOC1CC([N@H+](C)CC2CC[NH+](C)CC2)C1 ZINC000838842734 585074102 /nfs/dbraw/zinc/07/41/02/585074102.db2.gz VLJNYOUQLABBHE-UHFFFAOYSA-N 2 0 240.391 1.828 20 0 BDADRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](O)C2CC2)C1 ZINC000838859183 585075714 /nfs/dbraw/zinc/07/57/14/585075714.db2.gz DGCOSJJRXHWWJZ-TZMCWYRMSA-N 2 0 240.391 1.421 20 0 BDADRP Cc1ccc([C@H](O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000743262280 585134638 /nfs/dbraw/zinc/13/46/38/585134638.db2.gz SUVLCVZUEHXTMO-QLFBSQMISA-N 2 0 246.354 1.180 20 0 BDADRP C([C@H]1C[C@@]12CCOC2)[N@@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000886832174 585181145 /nfs/dbraw/zinc/18/11/45/585181145.db2.gz CFCHUXGCABPSGG-YIYPIFLZSA-N 2 0 236.359 1.239 20 0 BDADRP CC[NH+](CC)CCCN1CC[N@H+](C)[C@H](C)C1 ZINC000755068635 585294172 /nfs/dbraw/zinc/29/41/72/585294172.db2.gz XRUYMPRZWWPKCQ-CYBMUJFWSA-N 2 0 227.396 1.354 20 0 BDADRP CN(CCF)CC[C@@H]1CCCC[N@@H+]1C ZINC000759347478 585370440 /nfs/dbraw/zinc/37/04/40/585370440.db2.gz OECQAJHCMVCUBZ-NSHDSACASA-N 2 0 202.317 1.762 20 0 BDADRP C[C@H]1C[C@H](N(C)CC[NH+]2CCCC2)CC[N@@H+]1C ZINC000760842860 585399081 /nfs/dbraw/zinc/39/90/81/585399081.db2.gz KTCZTQBGVMOYCD-UONOGXRCSA-N 2 0 239.407 1.497 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H]2C[C@@H]21 ZINC000761088068 585407847 /nfs/dbraw/zinc/40/78/47/585407847.db2.gz QAKDCBDRWMCDML-UPJWGTAASA-N 2 0 208.349 1.955 20 0 BDADRP C[N@H+](CC1CC[NH+](C)CC1)[C@H]1CCSC1 ZINC000770510798 585575288 /nfs/dbraw/zinc/57/52/88/585575288.db2.gz QMJSHBBQONWYOO-LBPRGKRZSA-N 2 0 228.405 1.766 20 0 BDADRP C[N@@H+]1CCCC[C@H]1CC[NH2+][C@@H](CCO)C1CC1 ZINC000771799058 585600362 /nfs/dbraw/zinc/60/03/62/585600362.db2.gz JEWRGIVRSVOHTM-KBPBESRZSA-N 2 0 240.391 1.611 20 0 BDADRP C[NH+]1CCN(C2CC[NH+](CC3CC3)CC2)CC1 ZINC000777402244 585711456 /nfs/dbraw/zinc/71/14/56/585711456.db2.gz VGSILNMCEVQBLE-UHFFFAOYSA-N 2 0 237.391 1.108 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)CCO)C1 ZINC000779340189 585751454 /nfs/dbraw/zinc/75/14/54/585751454.db2.gz HJKHRHKHGBTXJA-NWDGAFQWSA-N 2 0 214.353 1.079 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@H](C)CCO ZINC000779342980 585751743 /nfs/dbraw/zinc/75/17/43/585751743.db2.gz QDZYSLIDSADVST-LLVKDONJSA-N 2 0 202.342 1.077 20 0 BDADRP C[C@H](CCO)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000779343366 585752123 /nfs/dbraw/zinc/75/21/23/585752123.db2.gz XGYDQHYVDNQNKY-ZIAGYGMSSA-N 2 0 242.407 1.859 20 0 BDADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)CCO)CC1 ZINC000779400344 585753289 /nfs/dbraw/zinc/75/32/89/585753289.db2.gz MOFHPSPFQZAFMR-LBPRGKRZSA-N 2 0 228.380 1.469 20 0 BDADRP C(C[N@@H+]1CC[C@H]2C[C@H]21)C[NH+]1CCCCC1 ZINC000781904735 585805043 /nfs/dbraw/zinc/80/50/43/585805043.db2.gz SHCKROHUKAPCJV-QWHCGFSZSA-N 2 0 208.349 1.957 20 0 BDADRP C[C@@H]1CC[C@@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000783213105 585831058 /nfs/dbraw/zinc/83/10/58/585831058.db2.gz UPGNTJCOMFVRBG-OCCSQVGLSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@H](C[NH2+][C@H]1CC[C@@H]1C)CN1CC[NH+](C)CC1 ZINC000783234881 585831666 /nfs/dbraw/zinc/83/16/66/585831666.db2.gz AATXCLXBZQGWFJ-RDBSUJKOSA-N 2 0 239.407 1.258 20 0 BDADRP C[NH+](C)C1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC000788474980 585925195 /nfs/dbraw/zinc/92/51/95/585925195.db2.gz MWUNYKMUVHCLIS-UHFFFAOYSA-N 3 0 239.407 1.354 20 0 BDADRP CC[C@@](C)(CC(=O)OC)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000843069833 585943788 /nfs/dbraw/zinc/94/37/88/585943788.db2.gz STCHYEOAALNZCV-AAEUAGOBSA-N 2 0 242.363 1.307 20 0 BDADRP CCOC1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC000790081239 585957710 /nfs/dbraw/zinc/95/77/10/585957710.db2.gz WYTTWNNMLADDGI-UHFFFAOYSA-N 2 0 240.391 1.829 20 0 BDADRP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H](C)CC[NH+](C)C)C1 ZINC000792199317 585997489 /nfs/dbraw/zinc/99/74/89/585997489.db2.gz DFTSVFIAAKJZDX-IJLUTSLNSA-N 2 0 242.363 1.258 20 0 BDADRP C[NH+](C)CCCOC(=O)c1ccc2c[nH+]cn2c1 ZINC000792549219 586002581 /nfs/dbraw/zinc/00/25/81/586002581.db2.gz ATZPZDZYIFEIDX-UHFFFAOYSA-N 2 0 247.298 1.443 20 0 BDADRP CO[C@@H](C)C[NH+](C)CCC[N@@H+](C)C[C@H](C)OC ZINC000796642631 586109105 /nfs/dbraw/zinc/10/91/05/586109105.db2.gz RCBMSOBZOMMSOM-STQMWFEESA-N 2 0 246.395 1.310 20 0 BDADRP C[N@@H+]1CC[C@H](NCc2ccon2)[C@H]2CCC[C@H]21 ZINC000796788364 586112764 /nfs/dbraw/zinc/11/27/64/586112764.db2.gz JLSZVDOMDRRHCI-FRRDWIJNSA-N 2 0 235.331 1.637 20 0 BDADRP C[N@H+](CCCCCCO)CCC[NH+]1CCCC1 ZINC000799174661 586164709 /nfs/dbraw/zinc/16/47/09/586164709.db2.gz QLLQGELWYJSNMF-UHFFFAOYSA-N 2 0 242.407 1.957 20 0 BDADRP Cc1cc(NCCCC[N@@H+](C)C2CC2)nc(N)[nH+]1 ZINC000840316671 586620888 /nfs/dbraw/zinc/62/08/88/586620888.db2.gz RNJUXDDCTMXLQG-UHFFFAOYSA-N 2 0 249.362 1.654 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCSC(F)(F)F ZINC000817889511 586832453 /nfs/dbraw/zinc/83/24/53/586832453.db2.gz OIHFBVKVVADBAG-RQJHMYQMSA-N 2 0 228.283 1.709 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCOc1cccnc1 ZINC000817892247 586833048 /nfs/dbraw/zinc/83/30/48/586833048.db2.gz LRECDKHXWIZDHY-WCQYABFASA-N 2 0 235.331 1.177 20 0 BDADRP Cc1ccc([C@H](O)C[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000817892209 586833180 /nfs/dbraw/zinc/83/31/80/586833180.db2.gz KHCJXEGVNGCJLB-SOUVJXGZSA-N 2 0 248.370 1.745 20 0 BDADRP Cc1ccc([C@H](O)C[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000817893773 586833914 /nfs/dbraw/zinc/83/39/14/586833914.db2.gz VNLLBRUOFYYKBD-BXUZGUMPSA-N 2 0 234.343 1.226 20 0 BDADRP CSCC[C@H](C)[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000817894117 586834006 /nfs/dbraw/zinc/83/40/06/586834006.db2.gz BRHJXSWVENREKN-UTLUCORTSA-N 2 0 204.383 1.843 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCOc1cccnc1 ZINC000817893301 586834300 /nfs/dbraw/zinc/83/43/00/586834300.db2.gz QZUFORTWCCKWSJ-JSGCOSHPSA-N 2 0 249.358 1.438 20 0 BDADRP CS[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2[NH3+])C1 ZINC000817897651 586835426 /nfs/dbraw/zinc/83/54/26/586835426.db2.gz URVMBPKVFIMSPP-VLEAKVRGSA-N 2 0 214.378 1.740 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCNc1ccccc1 ZINC000817901956 586835951 /nfs/dbraw/zinc/83/59/51/586835951.db2.gz ZXHWQUMTVHPZMX-TZMCWYRMSA-N 2 0 233.359 1.816 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCNc1ccccc1 ZINC000817901756 586835956 /nfs/dbraw/zinc/83/59/56/586835956.db2.gz YEKUEJXOKBVWAC-RYUDHWBXSA-N 2 0 221.348 1.814 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCNc1ccccc1 ZINC000817901477 586836387 /nfs/dbraw/zinc/83/63/87/586836387.db2.gz WJSJJCPPFBXZBD-QWHCGFSZSA-N 2 0 219.332 1.568 20 0 BDADRP Cc1cccc([C@H](O)C[NH2+][C@H](C)C[C@H](C)[NH3+])c1 ZINC000817909970 586838024 /nfs/dbraw/zinc/83/80/24/586838024.db2.gz FSGIDGNKZCWQTF-OUCADQQQSA-N 2 0 236.359 1.744 20 0 BDADRP Cc1ncc(CC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])s1 ZINC000817916403 586839195 /nfs/dbraw/zinc/83/91/95/586839195.db2.gz XYLKDCZSWSOQBU-ZYHUDNBSSA-N 2 0 239.388 1.711 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000817926921 586841361 /nfs/dbraw/zinc/84/13/61/586841361.db2.gz WTZQFJKOPBZGBH-BREBYQMCSA-N 2 0 240.322 1.575 20 0 BDADRP C[C@](O)(CC[NH2+][C@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000817924785 586841509 /nfs/dbraw/zinc/84/15/09/586841509.db2.gz YDHMWAWKYOFPAI-KKUMJFAQSA-N 2 0 248.370 1.754 20 0 BDADRP Cc1cc(C)cc([C@@H](O)C[NH2+][C@H](C)C2C[NH2+]C2)c1 ZINC000817929660 586842471 /nfs/dbraw/zinc/84/24/71/586842471.db2.gz KBRGNSJTUOXINQ-DOMZBBRYSA-N 2 0 248.370 1.534 20 0 BDADRP CC[NH2+]CCC[NH2+]C1CCC2(CC1)OCCO2 ZINC000817943493 586846460 /nfs/dbraw/zinc/84/64/60/586846460.db2.gz PADHEQNKXGWKDJ-UHFFFAOYSA-N 2 0 242.363 1.261 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1NCc1ccc(CC[NH3+])cc1 ZINC000817948175 586847058 /nfs/dbraw/zinc/84/70/58/586847058.db2.gz FWGLAOFPBODLAZ-IUODEOHRSA-N 2 0 247.386 1.275 20 0 BDADRP CC(C)[NH+](CCC[NH2+]C[C@H](O)C1CC1)C(C)C ZINC000819124844 586931974 /nfs/dbraw/zinc/93/19/74/586931974.db2.gz AIWCCIBXUUQVGE-AWEZNQCLSA-N 2 0 242.407 1.856 20 0 BDADRP CC(C)(C[NH2+]C[C@H](O)C1CC1)C[NH+]1CCCC1 ZINC000819260501 586945022 /nfs/dbraw/zinc/94/50/22/586945022.db2.gz UAOUSQLGMQPDJU-ZDUSSCGKSA-N 2 0 240.391 1.469 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@H](O)C2CC2)C1 ZINC000819365996 586957528 /nfs/dbraw/zinc/95/75/28/586957528.db2.gz GJOSNCGZYUYPDO-YPMHNXCESA-N 2 0 226.364 1.079 20 0 BDADRP CO[C@@H]1CC[C@H]([N@H+](C)CCCn2ccnc2)C1 ZINC000821396746 587116606 /nfs/dbraw/zinc/11/66/06/587116606.db2.gz UVKHZHIPGREVRE-QWHCGFSZSA-N 2 0 237.347 1.773 20 0 BDADRP C[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCCCN1CCO ZINC000824582984 587278063 /nfs/dbraw/zinc/27/80/63/587278063.db2.gz GLWKDGJMXGTBBE-UPJWGTAASA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H]([NH2+]C1CC1)C(=O)Nc1cccc(C[NH3+])c1 ZINC000832223764 587651590 /nfs/dbraw/zinc/65/15/90/587651590.db2.gz VDXIDLAXZIMCHG-SECBINFHSA-N 2 0 233.315 1.224 20 0 BDADRP CC[C@H]1CN(C(=O)CCCCC[NH3+])CC[C@H]1[NH3+] ZINC000834646214 587762633 /nfs/dbraw/zinc/76/26/33/587762633.db2.gz AQNOPRPRZUPUAK-NWDGAFQWSA-N 2 0 241.379 1.091 20 0 BDADRP [NH3+]CCCCCC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000834703529 587764755 /nfs/dbraw/zinc/76/47/55/587764755.db2.gz MRRTWLGOODQRMX-GFCCVEGCSA-N 2 0 241.379 1.093 20 0 BDADRP CCCCCC[N@H+](C)CC(=O)NC[C@@H]([NH3+])CC ZINC000834826240 587767970 /nfs/dbraw/zinc/76/79/70/587767970.db2.gz KWFBJQVIXOOQPQ-LBPRGKRZSA-N 2 0 243.395 1.352 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)CCCCC[NH3+] ZINC000834857434 587768790 /nfs/dbraw/zinc/76/87/90/587768790.db2.gz HUHVLZSJAZMMDR-LLVKDONJSA-N 2 0 241.379 1.010 20 0 BDADRP [NH3+]CCc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000841032966 587937007 /nfs/dbraw/zinc/93/70/07/587937007.db2.gz HYURHMPHWYWUJL-OAHLLOKOSA-N 3 0 247.386 1.420 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000841035649 587938045 /nfs/dbraw/zinc/93/80/45/587938045.db2.gz LLJURNODLDVLSF-ZRUFSTJUSA-N 2 0 246.445 1.693 20 0 BDADRP [NH3+]CCOc1ccc(N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000841054176 587939994 /nfs/dbraw/zinc/93/99/94/587939994.db2.gz IMRXHISLUSFCGV-GFCCVEGCSA-N 2 0 249.358 1.578 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1NCc1ccc(Cl)nc1 ZINC000841057644 587940392 /nfs/dbraw/zinc/94/03/92/587940392.db2.gz BSZODMHUPHAMKD-KOLCDFICSA-N 2 0 239.750 1.823 20 0 BDADRP CC[NH2+]CC(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000841845558 587977123 /nfs/dbraw/zinc/97/71/23/587977123.db2.gz DHBCYMMXQNKROC-UHFFFAOYSA-N 2 0 235.331 1.344 20 0 BDADRP CC(C)[NH2+]CCCNC(=O)c1cccc(C[NH3+])c1 ZINC000841847733 587977153 /nfs/dbraw/zinc/97/71/53/587977153.db2.gz IZTZAYNUEMUHFV-UHFFFAOYSA-N 2 0 249.358 1.263 20 0 BDADRP [NH3+]CCCCCCC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000841851908 587978387 /nfs/dbraw/zinc/97/83/87/587978387.db2.gz RMFUFYIRCOVAEB-NWDGAFQWSA-N 2 0 241.379 1.282 20 0 BDADRP C[C@H]1C(=O)NCCC[N@H+]1CCCCCCC[NH3+] ZINC000842475715 588030080 /nfs/dbraw/zinc/03/00/80/588030080.db2.gz BFTVKJZPQICBIB-LBPRGKRZSA-N 2 0 241.379 1.106 20 0 BDADRP C[N@H+](C[C@]1(C)CC[NH2+]C1)C1CCC([NH3+])CC1 ZINC000843054950 588077827 /nfs/dbraw/zinc/07/78/27/588077827.db2.gz ORDNEIUEAHOCRR-WXRRBKDZSA-N 3 0 225.380 1.188 20 0 BDADRP C[C@H]1C[C@@H](C[NH2+]C2CCC([NH3+])CC2)CC[NH2+]1 ZINC000843105755 588081717 /nfs/dbraw/zinc/08/17/17/588081717.db2.gz ZZZFKRKEFBNAOJ-ZSVAQUKISA-N 3 0 225.380 1.234 20 0 BDADRP CC[NH+]1CCC([NH2+]CCCCCC[NH3+])CC1 ZINC000843126219 588084366 /nfs/dbraw/zinc/08/43/66/588084366.db2.gz DHWCCZKKVGFBJF-UHFFFAOYSA-N 3 0 227.396 1.579 20 0 BDADRP C[C@]1(C[NH2+]Cc2ccc(CC[NH3+])cc2)CC[NH2+]C1 ZINC000843125758 588084474 /nfs/dbraw/zinc/08/44/74/588084474.db2.gz HJSKBKVANOLASX-HNNXBMFYSA-N 3 0 247.386 1.277 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]CCCCCC[NH3+] ZINC000843128428 588084886 /nfs/dbraw/zinc/08/48/86/588084886.db2.gz JHUCHZISHXIPPF-OLZOCXBDSA-N 3 0 227.396 1.626 20 0 BDADRP [NH3+]CCCCCC[NH2+]C[C@H]1CCSC1 ZINC000843127641 588085002 /nfs/dbraw/zinc/08/50/02/588085002.db2.gz FNKNEESWFHWASF-LLVKDONJSA-N 2 0 216.394 1.848 20 0 BDADRP CC[C@H]([NH2+]CCCCCC[NH3+])[C@@H]1CCC[NH2+]1 ZINC000843343935 588101449 /nfs/dbraw/zinc/10/14/49/588101449.db2.gz MGRWWWJFUFMLJU-STQMWFEESA-N 3 0 227.396 1.626 20 0 BDADRP [NH3+]CCCCCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000843344053 588101475 /nfs/dbraw/zinc/10/14/75/588101475.db2.gz OHKSZWIFCFWDCJ-NWDGAFQWSA-N 3 0 213.369 1.223 20 0 BDADRP C[C@H]1CCC[N@H+](CCCCCCC[NH3+])[C@@H]1CN ZINC000843350892 588102740 /nfs/dbraw/zinc/10/27/40/588102740.db2.gz ATHNCCSUPUYYTF-UONOGXRCSA-N 2 0 241.423 1.955 20 0 BDADRP CCCCOC(=O)CC[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000843353970 588103043 /nfs/dbraw/zinc/10/30/43/588103043.db2.gz SXMAKQMLIWACCH-RYUDHWBXSA-N 2 0 242.363 1.389 20 0 BDADRP CC[NH+](CC)CCC[N@H+](C)C1CCC([NH3+])CC1 ZINC000843354525 588103388 /nfs/dbraw/zinc/10/33/88/588103388.db2.gz AMULRFHYRIFARD-UHFFFAOYSA-N 3 0 241.423 1.920 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCCCCCC[NH3+])C1 ZINC000843353067 588103422 /nfs/dbraw/zinc/10/34/22/588103422.db2.gz APVGWOHUMJFUOL-ZIAGYGMSSA-N 3 0 241.423 1.955 20 0 BDADRP CCCCOC(=O)CC[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000843362619 588104232 /nfs/dbraw/zinc/10/42/32/588104232.db2.gz LENQZZPCENNHAH-VXGBXAGGSA-N 2 0 242.363 1.389 20 0 BDADRP CCCCOC(=O)[C@@H](C)N1CC[C@](C)(C[NH3+])C1 ZINC000843382779 588105657 /nfs/dbraw/zinc/10/56/57/588105657.db2.gz RXMLBZXPWDQPMP-DGCLKSJQSA-N 2 0 242.363 1.389 20 0 BDADRP CC[C@@H]1C[N@H+](CCCCCCC[NH3+])CC[C@@H]1[NH3+] ZINC000843378080 588105781 /nfs/dbraw/zinc/10/57/81/588105781.db2.gz ZBQDXGJVARFLTL-KGLIPLIRSA-N 3 0 241.423 1.955 20 0 BDADRP [NH3+]CCCCCCNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000843512954 588116385 /nfs/dbraw/zinc/11/63/85/588116385.db2.gz VDKNQDOCZLXNQV-LBPRGKRZSA-N 2 0 241.379 1.011 20 0 BDADRP C[C@@]1(C(=O)NCCCCCC[NH3+])CCC[NH2+]C1 ZINC000843511374 588117613 /nfs/dbraw/zinc/11/76/13/588117613.db2.gz ANXSAODPBZPJBU-CYBMUJFWSA-N 2 0 241.379 1.011 20 0 BDADRP CC(C)(C[NH3+])NC(=O)CCCC[NH+]1CCCC1 ZINC000844164655 588171592 /nfs/dbraw/zinc/17/15/92/588171592.db2.gz KSNJXRAGMXGHJD-UHFFFAOYSA-N 2 0 241.379 1.106 20 0 BDADRP CC[NH2+]CC(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000844177545 588171846 /nfs/dbraw/zinc/17/18/46/588171846.db2.gz DAHZIBCIJSJDML-UHFFFAOYSA-N 2 0 249.358 1.191 20 0 BDADRP C[N@H+](CCCCCCC[NH3+])Cc1cn[nH]c1 ZINC000844221766 588174225 /nfs/dbraw/zinc/17/42/25/588174225.db2.gz JYRVJKVGGDKFDO-UHFFFAOYSA-N 2 0 224.352 1.751 20 0 BDADRP C[NH2+]CCC[NH+]1CCC(N(C)CC(F)F)CC1 ZINC000844221177 588174246 /nfs/dbraw/zinc/17/42/46/588174246.db2.gz JNXQTNZZBQYVTA-UHFFFAOYSA-N 2 0 249.349 1.257 20 0 BDADRP CC[N@@H+](CCc1ccccn1)CC[C@@H]1CC[NH2+]C1 ZINC000844221748 588174374 /nfs/dbraw/zinc/17/43/74/588174374.db2.gz JVPOXVJEFLLKCK-AWEZNQCLSA-N 2 0 247.386 1.946 20 0 BDADRP C[NH2+]C[C@](C)(O)C[NH+]1CCCCCCC1 ZINC000846217715 588260294 /nfs/dbraw/zinc/26/02/94/588260294.db2.gz MWTDXXRNUWYKIE-LBPRGKRZSA-N 2 0 214.353 1.223 20 0 BDADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](C/C=C/Cl)CC1 ZINC000846220706 588261199 /nfs/dbraw/zinc/26/11/99/588261199.db2.gz NAJJCNZWDKUMHM-OXLSOZHLSA-N 2 0 244.766 1.567 20 0 BDADRP COC[C@H]1C[N@H+](CCCCCC[NH3+])C[C@H](C)O1 ZINC000846221379 588261327 /nfs/dbraw/zinc/26/13/27/588261327.db2.gz XYJKQAHLMLNVLG-QWHCGFSZSA-N 2 0 244.379 1.241 20 0 BDADRP C[C@H]1CCC[N@H+](CCCCCC[NH3+])[C@@H]1CC[NH3+] ZINC000846226406 588261565 /nfs/dbraw/zinc/26/15/65/588261565.db2.gz MPPFAZFWFACWSP-UONOGXRCSA-N 3 0 241.423 1.955 20 0 BDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CCF)C1 ZINC000846227762 588261903 /nfs/dbraw/zinc/26/19/03/588261903.db2.gz HDUNOFSXQZXOKI-WOPDTQHZSA-N 2 0 230.327 1.317 20 0 BDADRP [NH3+]CCCCCC(=O)N1CCC(CC[NH3+])CC1 ZINC000846696476 588283324 /nfs/dbraw/zinc/28/33/24/588283324.db2.gz ULPMCKAGJJWQAZ-UHFFFAOYSA-N 2 0 241.379 1.093 20 0 BDADRP [NH3+]CCc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000848714668 588407921 /nfs/dbraw/zinc/40/79/21/588407921.db2.gz GBLMFIXLKAYQEG-CABCVRRESA-N 3 0 247.386 1.547 20 0 BDADRP CCc1cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)[nH]n1 ZINC000848716594 588407964 /nfs/dbraw/zinc/40/79/64/588407964.db2.gz FADQHERKIHZTDP-KOLCDFICSA-N 2 0 222.336 1.332 20 0 BDADRP [NH3+]CCOc1ccc(N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000848714502 588407989 /nfs/dbraw/zinc/40/79/89/588407989.db2.gz CMHQHVZPXHXOCR-WCQYABFASA-N 2 0 249.358 1.706 20 0 BDADRP [NH3+]CCCCCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000848714627 588408157 /nfs/dbraw/zinc/40/81/57/588408157.db2.gz RVKDIJYUOFSDPP-NEPJUHHUSA-N 3 0 213.369 1.365 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)c2ccco2)C1 ZINC000848719989 588408229 /nfs/dbraw/zinc/40/82/29/588408229.db2.gz QJIQOFGLEJXJLG-GMTAPVOTSA-N 2 0 224.304 1.173 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[C@@H](O)c1ccccc1 ZINC000848719697 588408271 /nfs/dbraw/zinc/40/82/71/588408271.db2.gz CTQMLTMKKZCVFL-ZGKBOVNRSA-N 2 0 248.370 1.968 20 0 BDADRP C[C@@H]1CCC[N@@H+]1CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000848720186 588408601 /nfs/dbraw/zinc/40/86/01/588408601.db2.gz SUDPSCWKAFRLML-JHJVBQTASA-N 2 0 225.380 1.330 20 0 BDADRP CNC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000848984183 588424888 /nfs/dbraw/zinc/42/48/88/588424888.db2.gz WNUONQPLRJDYPH-GFCCVEGCSA-N 2 0 240.395 1.631 20 0 BDADRP CCC(CC)[C@H](CNC1=[NH+]C[C@@H](C)N1)[NH+](C)C ZINC000848984265 588424983 /nfs/dbraw/zinc/42/49/83/588424983.db2.gz FSUJJZCDWLZILZ-PWSUYJOCSA-N 2 0 240.395 1.290 20 0 BDADRP C[C@H](CNC(=[NH2+])Nc1ccccn1)[NH+]1CCCC1 ZINC000848986699 588425898 /nfs/dbraw/zinc/42/58/98/588425898.db2.gz VQHBOJQBLZWNHM-LLVKDONJSA-N 2 0 247.346 1.502 20 0 BDADRP CC(C)NC(=[NH2+])NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000848987024 588426110 /nfs/dbraw/zinc/42/61/10/588426110.db2.gz GIFSMUSIVZLZDY-NWDGAFQWSA-N 2 0 240.395 1.772 20 0 BDADRP C[C@@H]1CCCC[N@@H+]1CCNC(=[NH2+])N1CCC1 ZINC000848987516 588426331 /nfs/dbraw/zinc/42/63/31/588426331.db2.gz CNBBGFJYUPRNGV-LLVKDONJSA-N 2 0 224.352 1.091 20 0 BDADRP CCN(CC)C(=[NH2+])NC[C@H](C)[NH+]1CCCCC1 ZINC000848995327 588428475 /nfs/dbraw/zinc/42/84/75/588428475.db2.gz FRVGRDYZFSTIAO-LBPRGKRZSA-N 2 0 240.395 1.727 20 0 BDADRP CCCCNC(=[NH2+])NCC[N@H+](C)CCCC ZINC000849005752 588432769 /nfs/dbraw/zinc/43/27/69/588432769.db2.gz NVDIDIDBDMBWKU-UHFFFAOYSA-N 2 0 228.384 1.632 20 0 BDADRP CCCCCCNC(=[NH2+])NCCN1CCC1 ZINC000849014638 588436314 /nfs/dbraw/zinc/43/63/14/588436314.db2.gz HITUZADBSOLRDT-UHFFFAOYSA-N 2 0 226.368 1.386 20 0 BDADRP C[NH+]1CCC(C)(CNC(=[NH2+])NC2CCC2)CC1 ZINC000849016590 588437022 /nfs/dbraw/zinc/43/70/22/588437022.db2.gz UVJPOQHGFXNRBR-UHFFFAOYSA-N 2 0 238.379 1.385 20 0 BDADRP C[C@@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)C[NH+](C)C ZINC000849029997 588442277 /nfs/dbraw/zinc/44/22/77/588442277.db2.gz CFROLKQEWHFILO-NEPJUHHUSA-N 2 0 240.395 1.440 20 0 BDADRP [NH2+]=C(NCc1ccc2c[nH+]cn2c1)NC1CC1 ZINC000849040065 588447263 /nfs/dbraw/zinc/44/72/63/588447263.db2.gz IOAKQQVDWOFMCK-UHFFFAOYSA-N 2 0 229.287 1.111 20 0 BDADRP CC[N@H+](CCNC1=[NH+]CCCCN1)C(C)C ZINC000849215861 588462384 /nfs/dbraw/zinc/46/23/84/588462384.db2.gz IMIUCIRFYSGMLZ-UHFFFAOYSA-N 2 0 226.368 1.046 20 0 BDADRP C[C@@H](C[NH2+]C1CC(CF)(CF)C1)C[NH+](C)C ZINC000850472451 588548798 /nfs/dbraw/zinc/54/87/98/588548798.db2.gz ZCAAZCZTYZRHRK-JTQLQIEISA-N 2 0 234.334 1.862 20 0 BDADRP C1=CCC(C[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000852751383 588700355 /nfs/dbraw/zinc/70/03/55/588700355.db2.gz ZUHFPJOGXSUKFP-ZDUSSCGKSA-N 2 0 206.333 1.781 20 0 BDADRP C[N@H+](CCCCCCC[NH3+])C[C@H]1COCCO1 ZINC000852755895 588700484 /nfs/dbraw/zinc/70/04/84/588700484.db2.gz KLZYCNYCZVZNRV-ZDUSSCGKSA-N 2 0 244.379 1.243 20 0 BDADRP CN(CC(C)(C)[NH3+])C(=O)CCCCCC[NH3+] ZINC000852842576 588707695 /nfs/dbraw/zinc/70/76/95/588707695.db2.gz YWFODZAYSMDOLZ-UHFFFAOYSA-N 2 0 229.368 1.091 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCO[C@@H](CC)C1 ZINC000863482081 589292659 /nfs/dbraw/zinc/29/26/59/589292659.db2.gz RPVSJLPPUJFTSJ-ZOBORPQBSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2CC[NH2+]C23CCC3)CC[NH2+]1 ZINC000863541169 589297071 /nfs/dbraw/zinc/29/70/71/589297071.db2.gz HCKUNURSYAXGHC-IJLUTSLNSA-N 2 0 223.364 1.001 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000863543117 589297252 /nfs/dbraw/zinc/29/72/52/589297252.db2.gz KUHKWFPQUOQMHP-YVECIDJPSA-N 2 0 208.349 1.905 20 0 BDADRP CC(C)[C@@H]1CNCC[N@@H+]1CCCCCCC[NH3+] ZINC000863546560 589297634 /nfs/dbraw/zinc/29/76/34/589297634.db2.gz LBFJKYXGZJIHHP-AWEZNQCLSA-N 2 0 241.423 1.825 20 0 BDADRP C[C@H](CSC(C)(C)C)[NH2+]CCOCCC[NH3+] ZINC000863544832 589297911 /nfs/dbraw/zinc/29/79/11/589297911.db2.gz CCCOTLKDQUFBNE-LLVKDONJSA-N 2 0 248.436 1.862 20 0 BDADRP C[C@H]([NH3+])CN(C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000863567470 589299302 /nfs/dbraw/zinc/29/93/02/589299302.db2.gz FHFQMLWSOHAKPT-NSHDSACASA-N 2 0 233.359 1.111 20 0 BDADRP C[C@H](CC[NH+](C)C)N[C@H]1CC[NH2+]C12CCC2 ZINC000863643347 589306965 /nfs/dbraw/zinc/30/69/65/589306965.db2.gz LKAFMNZTVYDXGO-NEPJUHHUSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H](CC[NH+](C)C)N[C@@H]1CC[NH2+]C12CCC2 ZINC000863643348 589307036 /nfs/dbraw/zinc/30/70/36/589307036.db2.gz LKAFMNZTVYDXGO-NWDGAFQWSA-N 2 0 225.380 1.201 20 0 BDADRP Cc1ccc(-c2n[nH]cc2CN(C)C[C@@H](C)[NH3+])o1 ZINC000863652093 589307700 /nfs/dbraw/zinc/30/77/00/589307700.db2.gz QKFHGDSSCWVBAG-SECBINFHSA-N 2 0 248.330 1.757 20 0 BDADRP CCC(CC)NC(=[NH2+])NCC(C)(C)C[NH+](C)C ZINC000864453366 589365515 /nfs/dbraw/zinc/36/55/15/589365515.db2.gz YXOSYBVDXOURCE-UHFFFAOYSA-N 2 0 242.411 1.877 20 0 BDADRP CC[C@H](CNC(=[NH2+])N[C@@H]1C[C@H]1C)[NH+]1CCCC1 ZINC000864453205 589365620 /nfs/dbraw/zinc/36/56/20/589365620.db2.gz LJQBACSPIJFOPF-IJLUTSLNSA-N 2 0 238.379 1.383 20 0 BDADRP C[NH+](C)[C@@H](CNC(=[NH2+])NCCC1CC1)C1CC1 ZINC000864455754 589366800 /nfs/dbraw/zinc/36/68/00/589366800.db2.gz XTPJDNQKRTWJOA-LBPRGKRZSA-N 2 0 238.379 1.241 20 0 BDADRP C[C@@H]1C[C@H]1NC(=[NH2+])NCC[C@H]1CCC[N@H+](C)C1 ZINC000864465772 589370742 /nfs/dbraw/zinc/37/07/42/589370742.db2.gz COJBIPKKKKRKJT-IJLUTSLNSA-N 2 0 238.379 1.241 20 0 BDADRP C[C@H]1CCC[C@H]1[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000865658912 589454842 /nfs/dbraw/zinc/45/48/42/589454842.db2.gz DKMJFHVSMWVVMQ-RWMBFGLXSA-N 2 0 240.391 1.610 20 0 BDADRP COC(C)(C)CC[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000866504618 589498092 /nfs/dbraw/zinc/49/80/92/589498092.db2.gz LTMNDTGHOIODMY-DGCLKSJQSA-N 2 0 240.391 1.874 20 0 BDADRP Cc1nccnc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000866660117 589508079 /nfs/dbraw/zinc/50/80/79/589508079.db2.gz FPTIFPXTOYFSFK-UHFFFAOYSA-N 2 0 246.358 1.361 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000866658841 589508149 /nfs/dbraw/zinc/50/81/49/589508149.db2.gz BKMKCURKOVVUPA-SRVKXCTJSA-N 2 0 212.337 1.082 20 0 BDADRP CO[C@H](C[N@@H+]1CC[NH2+]CCC1(C)C)C1CCC1 ZINC000866697710 589512556 /nfs/dbraw/zinc/51/25/56/589512556.db2.gz WHRFYIPKZGQJSP-CYBMUJFWSA-N 2 0 240.391 1.875 20 0 BDADRP C[NH2+]CCCN1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705780 589514360 /nfs/dbraw/zinc/51/43/60/589514360.db2.gz AYRSAWGDMWGOEK-ZDUSSCGKSA-N 2 0 227.396 1.293 20 0 BDADRP COCCC[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866706712 589514534 /nfs/dbraw/zinc/51/45/34/589514534.db2.gz JYFZOLWOCWKFCA-CYBMUJFWSA-N 2 0 228.380 1.720 20 0 BDADRP Cc1cncc([C@H]2CCC[N@@H+]2CCOCC[NH3+])c1 ZINC000866719807 589515170 /nfs/dbraw/zinc/51/51/70/589515170.db2.gz DJZLOSUOLNTCMT-CQSZACIVSA-N 2 0 249.358 1.502 20 0 BDADRP C1=CCC(C[N@@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC000866724979 589516356 /nfs/dbraw/zinc/51/63/56/589516356.db2.gz QBEBSGWYHNFVGA-QWHCGFSZSA-N 2 0 206.333 1.779 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C2CCC([NH3+])CC2)CN1C1CC1 ZINC000122945262 589645098 /nfs/dbraw/zinc/64/50/98/589645098.db2.gz SBCCVRYZGINZJH-XVSSEFHLSA-N 3 0 237.391 1.471 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)CC[NH2+]CC2CC2)cc1 ZINC000870939934 589699187 /nfs/dbraw/zinc/69/91/87/589699187.db2.gz DHEQHQBJYOESJG-UHFFFAOYSA-N 2 0 247.342 1.474 20 0 BDADRP C[C@@H](CCCC[NH3+])NC(=O)CC[NH2+]CC1CC1 ZINC000870946278 589700369 /nfs/dbraw/zinc/70/03/69/589700369.db2.gz FWAYZKZEXNGVRC-NSHDSACASA-N 2 0 241.379 1.010 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000870971600 589703188 /nfs/dbraw/zinc/70/31/88/589703188.db2.gz FNZAACWRDWLAAC-GIPNMCIBSA-N 2 0 247.342 1.173 20 0 BDADRP C(=C\[C@@H]1CCC[NH2+]C1)\c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000871789471 589819378 /nfs/dbraw/zinc/81/93/78/589819378.db2.gz UWQWFQLBQWOKSP-OBOPVNRVSA-N 2 0 248.330 1.507 20 0 BDADRP [NH3+]C[C@H]1CCC[N@H+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000872141870 589882153 /nfs/dbraw/zinc/88/21/53/589882153.db2.gz XJHWUSKGPVEATO-OLZOCXBDSA-N 2 0 238.375 1.616 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000872144441 589884294 /nfs/dbraw/zinc/88/42/94/589884294.db2.gz ZBOHKZGUIPWBBQ-AVGNSLFASA-N 2 0 238.375 1.615 20 0 BDADRP CC(=O)C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000872146397 589885378 /nfs/dbraw/zinc/88/53/78/589885378.db2.gz MXCAWMQXKYHOMU-UHFFFAOYSA-N 2 0 224.348 1.287 20 0 BDADRP COC(=O)CC[C@@H]1CCC[N@H+](CCC[NH3+])C1 ZINC000872154809 589886063 /nfs/dbraw/zinc/88/60/63/589886063.db2.gz ZDZVITBMZWQFCG-NSHDSACASA-N 2 0 228.336 1.000 20 0 BDADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCCCCC[NH3+])C2 ZINC000872154499 589886357 /nfs/dbraw/zinc/88/63/57/589886357.db2.gz RKDOXHXKDVWJBJ-QWHCGFSZSA-N 3 0 225.380 1.047 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCC[C@@H](CCC(=O)OC)C1 ZINC000872154244 589886402 /nfs/dbraw/zinc/88/64/02/589886402.db2.gz OWFNFUPLDMHTEG-LBPRGKRZSA-N 2 0 242.363 1.261 20 0 BDADRP CC(C)[NH+]1CCC(CC[NH2+]C[C@@H](C)O)CC1 ZINC000872222946 589896456 /nfs/dbraw/zinc/89/64/56/589896456.db2.gz JPKYMSAHXHGNCB-GFCCVEGCSA-N 2 0 228.380 1.467 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@H]2CCCOC2)C1 ZINC000872253015 589900730 /nfs/dbraw/zinc/90/07/30/589900730.db2.gz YOHHKWZKJDHUOJ-CHWSQXEVSA-N 2 0 240.391 1.781 20 0 BDADRP COCC[C@H](C)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000872253882 589901434 /nfs/dbraw/zinc/90/14/34/589901434.db2.gz LRUMXUDRYJLDON-NWDGAFQWSA-N 2 0 228.380 1.779 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH2+][C@]12CCC[C@H]1OCC2 ZINC000872315057 589909897 /nfs/dbraw/zinc/90/98/97/589909897.db2.gz LCXLLFUEPIANGF-MJBXVCDLSA-N 2 0 238.375 1.772 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)C1CC[NH2+]CC1 ZINC000873220098 589999002 /nfs/dbraw/zinc/99/90/02/589999002.db2.gz JJWYPPGYZLKSOH-KGYLQXTDSA-N 3 0 225.380 1.234 20 0 BDADRP CC(C)[C@H](C[NH3+])C[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873221033 589999764 /nfs/dbraw/zinc/99/97/64/589999764.db2.gz XZBJKNUGBYAABC-DGCLKSJQSA-N 3 0 227.396 1.195 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000873236876 590004334 /nfs/dbraw/zinc/00/43/34/590004334.db2.gz JWZHAMUNRQWUFV-SRVKXCTJSA-N 2 0 227.396 1.480 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1F)C1C[NH2+]C1 ZINC000873239201 590005395 /nfs/dbraw/zinc/00/53/95/590005395.db2.gz PLYVRZOOKPZQHM-DVVUODLYSA-N 2 0 200.301 1.465 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000873238832 590005980 /nfs/dbraw/zinc/00/59/80/590005980.db2.gz HOGMGBVZCIWKOY-CCKSWGLSSA-N 2 0 224.348 1.125 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccnc(F)c1 ZINC000873242352 590006884 /nfs/dbraw/zinc/00/68/84/590006884.db2.gz PJLAKDSBCHJIRQ-RYUDHWBXSA-N 2 0 237.322 1.828 20 0 BDADRP Cc1cncc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000873250209 590007796 /nfs/dbraw/zinc/00/77/96/590007796.db2.gz FLLFDHFODMMLDN-WZRBSPASSA-N 2 0 219.332 1.778 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000873249811 590007813 /nfs/dbraw/zinc/00/78/13/590007813.db2.gz OWSPHXSHKKYWSO-IWMBGFJWSA-N 3 0 241.423 1.965 20 0 BDADRP C[C@]12C[C@H]1CCC[C@@H]2[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873251197 590007995 /nfs/dbraw/zinc/00/79/95/590007995.db2.gz VCIUDTRZXCPUBV-BNDIWNMDSA-N 2 0 208.349 1.892 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1CCC12CCOCC2 ZINC000873250454 590008498 /nfs/dbraw/zinc/00/84/98/590008498.db2.gz RFZBIQIYBAHWSX-XQQFMLRXSA-N 2 0 240.391 1.909 20 0 BDADRP Cc1cc([C@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)no1 ZINC000873254956 590010204 /nfs/dbraw/zinc/01/02/04/590010204.db2.gz CGPMQLSZBGMOBE-GUBZILKMSA-N 2 0 209.293 1.371 20 0 BDADRP COCC1CCC([NH2+]C[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000873256501 590011900 /nfs/dbraw/zinc/01/19/00/590011900.db2.gz ONMZWAZQMJAITE-XQSKIALTSA-N 2 0 226.364 1.519 20 0 BDADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CCCC23CCOCC3)C1 ZINC000873259055 590012701 /nfs/dbraw/zinc/01/27/01/590012701.db2.gz YGNXZUDBXCLEQB-AVGNSLFASA-N 2 0 238.375 1.663 20 0 BDADRP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873258458 590012753 /nfs/dbraw/zinc/01/27/53/590012753.db2.gz QLZLJUMVWOFNBE-CKYFFXLPSA-N 2 0 234.347 1.124 20 0 BDADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CC[C@@H]2C2CCC2)C1 ZINC000873258311 590012781 /nfs/dbraw/zinc/01/27/81/590012781.db2.gz QBSDGRAPSUMKCZ-JHEVNIALSA-N 2 0 208.349 1.892 20 0 BDADRP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873258459 590012924 /nfs/dbraw/zinc/01/29/24/590012924.db2.gz QLZLJUMVWOFNBE-NHCYSSNCSA-N 2 0 234.347 1.124 20 0 BDADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H](c2cncc(F)c2)C2CC2)C1 ZINC000873258689 590013121 /nfs/dbraw/zinc/01/31/21/590013121.db2.gz VEEJWWFWKYRMQH-OWYVNGRQSA-N 2 0 249.333 1.999 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000873260769 590013335 /nfs/dbraw/zinc/01/33/35/590013335.db2.gz HEUSOYQSSNRJDB-QNSTZXKLSA-N 3 0 237.391 1.377 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000873265363 590015171 /nfs/dbraw/zinc/01/51/71/590015171.db2.gz VGXNJEQFJAGSBK-QNSTZXKLSA-N 2 0 238.375 1.674 20 0 BDADRP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)[C@H]1CCOC1 ZINC000873267569 590015366 /nfs/dbraw/zinc/01/53/66/590015366.db2.gz GMTKRPNZYUMFKP-WZRBSPASSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1ccn(C)n1 ZINC000873270028 590016260 /nfs/dbraw/zinc/01/62/60/590016260.db2.gz OEQZJXNQAHTCPU-GHMZBOCLSA-N 2 0 236.363 1.459 20 0 BDADRP CC1(C)CO[C@H](C[NH2+][C@H]2CCC[C@H]2[NH3+])C1 ZINC000873281561 590018412 /nfs/dbraw/zinc/01/84/12/590018412.db2.gz LIQHIWJNLOFYQC-AXFHLTTASA-N 2 0 212.337 1.271 20 0 BDADRP COCC(C)(C)CC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000873281291 590018521 /nfs/dbraw/zinc/01/85/21/590018521.db2.gz HLCHYKHPSGHEMJ-WDEREUQCSA-N 2 0 216.369 1.765 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC000873281628 590018533 /nfs/dbraw/zinc/01/85/33/590018533.db2.gz NHCCDUQNOZOFRN-FRRDWIJNSA-N 2 0 240.391 1.779 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000873281201 590018553 /nfs/dbraw/zinc/01/85/53/590018553.db2.gz HBNJYUIGONKYPF-IKOXMDCHSA-N 2 0 238.375 1.661 20 0 BDADRP C[C@@H]([NH2+]CCC[C@@H]1CCOC1=O)[C@H]1CCC[NH2+]1 ZINC000873283630 590019434 /nfs/dbraw/zinc/01/94/34/590019434.db2.gz YLWUOYGWBUNJFI-IJLUTSLNSA-N 2 0 240.347 1.060 20 0 BDADRP CC(C)[C@@H](C)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291216 590023044 /nfs/dbraw/zinc/02/30/44/590023044.db2.gz VUYXUMPNJDBDKU-OLZOCXBDSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H]1C[C@H](O)C1 ZINC000873297303 590025154 /nfs/dbraw/zinc/02/51/54/590025154.db2.gz VYBJOPOJFOHHOG-CYUUQNCZSA-N 2 0 248.370 1.305 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000876808721 590245006 /nfs/dbraw/zinc/24/50/06/590245006.db2.gz MOMFCXXHZLNFJT-NWDGAFQWSA-N 2 0 247.342 1.457 20 0 BDADRP [NH3+]CCCCCCNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000876938004 590259137 /nfs/dbraw/zinc/25/91/37/590259137.db2.gz MEJOAWFGCSVQST-HAQNSBGRSA-N 2 0 241.379 1.139 20 0 BDADRP CCN(CC[NH3+])C(=O)CCCC[NH+]1CCCC1 ZINC000877006328 590268384 /nfs/dbraw/zinc/26/83/84/590268384.db2.gz IKPSXQXSSSTFQK-UHFFFAOYSA-N 2 0 241.379 1.060 20 0 BDADRP C[C@@H]([NH3+])CN(C)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000877094734 590282054 /nfs/dbraw/zinc/28/20/54/590282054.db2.gz COFMZSXOBPAMGO-YPMHNXCESA-N 2 0 249.358 1.272 20 0 BDADRP C[C@H]([NH3+])CN(C)C(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000877095280 590282126 /nfs/dbraw/zinc/28/21/26/590282126.db2.gz JSWAOTSGLXWQPY-SDDRHHMPSA-N 2 0 241.379 1.090 20 0 BDADRP C[C@H]([NH3+])CN(C)C(=O)CC1(C[NH3+])CCCCC1 ZINC000877103072 590283571 /nfs/dbraw/zinc/28/35/71/590283571.db2.gz PVOZHXUESZOURL-NSHDSACASA-N 2 0 241.379 1.091 20 0 BDADRP C[C@@H](C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)[NH+](C)C ZINC000877137409 590291265 /nfs/dbraw/zinc/29/12/65/590291265.db2.gz VAXLAVVOPCUXDH-TVYUQYBPSA-N 2 0 247.342 1.390 20 0 BDADRP C[C@H]([NH3+])CCC(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877151002 590292749 /nfs/dbraw/zinc/29/27/49/590292749.db2.gz BQDQCHZJDCNQPZ-QWRGUYRKSA-N 2 0 241.379 1.008 20 0 BDADRP CN(CCCCCC[NH3+])C(=O)C[C@@H]([NH3+])C1CC1 ZINC000877438240 590327813 /nfs/dbraw/zinc/32/78/13/590327813.db2.gz LPYYMFBTIJOMEM-GFCCVEGCSA-N 2 0 241.379 1.091 20 0 BDADRP CSC(C)(C)CC[NH2+]CCN1CC[C@@H](O)C1 ZINC000877658457 590385881 /nfs/dbraw/zinc/38/58/81/590385881.db2.gz RTRVJYMHKHHTOQ-LLVKDONJSA-N 2 0 246.420 1.174 20 0 BDADRP C[C@@H]1C[C@H]1C[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000877665408 590388138 /nfs/dbraw/zinc/38/81/38/590388138.db2.gz UNYYGVHGJHWRFC-WOPDTQHZSA-N 2 0 226.364 1.077 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CCC=CO3)CC[C@H]21 ZINC000877743780 590411784 /nfs/dbraw/zinc/41/17/84/590411784.db2.gz YGSSTQGRIFIXCK-MGPQQGTHSA-N 2 0 236.359 1.705 20 0 BDADRP CC(C)(O)[C@H]1CC[N@H+](Cc2cnc3n2CCC3)C1 ZINC000877837411 590432439 /nfs/dbraw/zinc/43/24/39/590432439.db2.gz ZXQPTPDXTVBBPC-NSHDSACASA-N 2 0 249.358 1.422 20 0 BDADRP CO[C@H]1C[C@@H](C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000878162261 590511401 /nfs/dbraw/zinc/51/14/01/590511401.db2.gz CQCPQFCDAJBIKO-MQYQWHSLSA-N 2 0 240.391 1.826 20 0 BDADRP CC(C)[C@H](O)CC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000878511717 590583598 /nfs/dbraw/zinc/58/35/98/590583598.db2.gz HFMYXXPEBZRTOZ-UONOGXRCSA-N 2 0 242.407 1.810 20 0 BDADRP CC(C)[C@@H](O)CC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000878511715 590584089 /nfs/dbraw/zinc/58/40/89/590584089.db2.gz HFMYXXPEBZRTOZ-KBPBESRZSA-N 2 0 242.407 1.810 20 0 BDADRP CC(C)[C@@H](O)CC[N@H+](C)CCC[NH+]1CCCC1 ZINC000878549157 590590998 /nfs/dbraw/zinc/59/09/98/590590998.db2.gz BPPKKFJMOXKMRW-AWEZNQCLSA-N 2 0 242.407 1.811 20 0 BDADRP C[NH+]1CC[C@@H]2CN(C[C@H]3CCC[N@H+]3C)CC[C@H]21 ZINC000879579054 590816995 /nfs/dbraw/zinc/81/69/95/590816995.db2.gz IXLFVTXVQWMIEF-MGPQQGTHSA-N 2 0 237.391 1.107 20 0 BDADRP C[C@@H]1CN(c2cc[nH+]c(CO)c2)C[C@H](C)[N@H+]1C ZINC000128049141 590884939 /nfs/dbraw/zinc/88/49/39/590884939.db2.gz VKKWWWMOAHTWIT-PHIMTYICSA-N 2 0 235.331 1.103 20 0 BDADRP Cc1nn(C)cc1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000128275295 590955902 /nfs/dbraw/zinc/95/59/02/590955902.db2.gz NJOUGZDUBBUNII-UHFFFAOYSA-N 2 0 236.363 1.430 20 0 BDADRP C[C@@H](O)CC[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880259378 590979296 /nfs/dbraw/zinc/97/92/96/590979296.db2.gz RHWGTANXJFBVNI-QWHCGFSZSA-N 2 0 249.358 1.363 20 0 BDADRP C[C@@H]1C[N@H+](CCCCO)CCN1c1cc[nH+]cc1 ZINC000880262962 590980856 /nfs/dbraw/zinc/98/08/56/590980856.db2.gz UOAOFDFPZNSVMG-CYBMUJFWSA-N 2 0 249.358 1.365 20 0 BDADRP C[C@H](CO)C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880473249 591054413 /nfs/dbraw/zinc/05/44/13/591054413.db2.gz AKCUWSPEAIXKKQ-LBPRGKRZSA-N 2 0 226.364 1.175 20 0 BDADRP CCN(CCO)CC[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000883089284 591538452 /nfs/dbraw/zinc/53/84/52/591538452.db2.gz FUVPNUYRDSUQSO-BTTYYORXSA-N 2 0 240.391 1.469 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC1(O)CCC1 ZINC000131112363 591554681 /nfs/dbraw/zinc/55/46/81/591554681.db2.gz ROSPFJYZWWZHMW-WDEREUQCSA-N 2 0 212.337 1.009 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H]2C[C@H](OC)C2)[C@@H](C)C1 ZINC000883269667 591603059 /nfs/dbraw/zinc/60/30/59/591603059.db2.gz RSMXPCCUVOPGBK-XDQVBPFNSA-N 2 0 240.391 1.731 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](COC)C2)[C@@H](C)C1 ZINC000883321105 591616082 /nfs/dbraw/zinc/61/60/82/591616082.db2.gz LNTMBCDWYOQIQA-FQUUOJAGSA-N 2 0 240.391 1.731 20 0 BDADRP CCN1CC[C@H]1C[NH2+][C@@H](C)CCCCO ZINC000883354694 591624843 /nfs/dbraw/zinc/62/48/43/591624843.db2.gz AQFCQBCSJBVUHC-RYUDHWBXSA-N 2 0 214.353 1.221 20 0 BDADRP C[C@H]1C[C@@H](N(C)C[C@@H]2C[C@H](F)C[NH2+]2)CC[N@@H+]1C ZINC000883424542 591658354 /nfs/dbraw/zinc/65/83/54/591658354.db2.gz WHICXNDDBJOJEA-CYDGBPFRSA-N 2 0 243.370 1.101 20 0 BDADRP CCCN(C[C@@H]1C[C@H](F)C[NH2+]1)C1CC[NH2+]CC1 ZINC000883424446 591659236 /nfs/dbraw/zinc/65/92/36/591659236.db2.gz SOPMQXUMKIQABT-RYUDHWBXSA-N 2 0 243.370 1.150 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCCOC(F)(F)F ZINC000883434270 591663788 /nfs/dbraw/zinc/66/37/88/591663788.db2.gz LUOTVTSSUYBVCQ-RKDXNWHRSA-N 2 0 240.269 1.772 20 0 BDADRP C=C/C=C\CC[NH+]1CCC([NH2+]CCOC)CC1 ZINC000883434505 591664362 /nfs/dbraw/zinc/66/43/62/591664362.db2.gz TZENNFAZSORRDO-PLNGDYQASA-N 2 0 238.375 1.819 20 0 BDADRP C=C/C=C\CC[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000883436781 591665154 /nfs/dbraw/zinc/66/51/54/591665154.db2.gz AMXFECQMTDXBAL-RSNNXLNZSA-N 2 0 206.333 1.932 20 0 BDADRP [NH3+]CCC[N@@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000883462046 591673474 /nfs/dbraw/zinc/67/34/74/591673474.db2.gz IWLZUNSVYCTBDS-AWEZNQCLSA-N 2 0 240.391 1.864 20 0 BDADRP C[NH+](C)C1(CNC2CC[NH2+]CC2)CCCC1 ZINC000132029970 591685382 /nfs/dbraw/zinc/68/53/82/591685382.db2.gz NODZDWHIOAHPCA-UHFFFAOYSA-N 2 0 225.380 1.202 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132146413 591690375 /nfs/dbraw/zinc/69/03/75/591690375.db2.gz KFRXGCVVRHRXAS-IHRRRGAJSA-N 2 0 234.343 1.882 20 0 BDADRP CN(CCC[NH3+])Cc1cccnc1Cl ZINC000133198548 591776110 /nfs/dbraw/zinc/77/61/10/591776110.db2.gz ZDNJCEOTMHMALY-UHFFFAOYSA-N 2 0 213.712 1.516 20 0 BDADRP CC(C)[C@H]([NH3+])CNC(=O)C(C)(C)[C@@H]([NH3+])C(C)C ZINC000884034704 591817313 /nfs/dbraw/zinc/81/73/13/591817313.db2.gz KEANBGVVPSIQRJ-MNOVXSKESA-N 2 0 243.395 1.095 20 0 BDADRP [NH3+][C@@H](CC1CC1)C(=O)N1CCC[C@@H]1c1ncc[nH]1 ZINC000884331452 591904119 /nfs/dbraw/zinc/90/41/19/591904119.db2.gz NVUAESSAUSCHPF-WDEREUQCSA-N 2 0 248.330 1.201 20 0 BDADRP C[N@H+](C[C@H]1C[C@@]12CCOC2)C1CC[NH2+]CC1 ZINC000886827151 592351695 /nfs/dbraw/zinc/35/16/95/592351695.db2.gz FTWAHXRFYXPYRR-DGCLKSJQSA-N 2 0 224.348 1.097 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](C[C@H]2C[C@]23CCOC3)C1 ZINC000886838122 592356960 /nfs/dbraw/zinc/35/69/60/592356960.db2.gz RJJUCFFHOYPPKZ-UPJWGTAASA-N 2 0 224.348 1.084 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](C[C@H]2C[C@@]23CCOC3)C1 ZINC000886838381 592358726 /nfs/dbraw/zinc/35/87/26/592358726.db2.gz WOHIEHLOPGQCNB-BFHYXJOUSA-N 2 0 238.375 1.474 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@H]1C[C@]12CCOC2 ZINC000886841110 592361173 /nfs/dbraw/zinc/36/11/73/592361173.db2.gz CGLUSNZSZLYWNO-DCQANWLSSA-N 2 0 224.348 1.128 20 0 BDADRP CCN1CC[C@H]1CNC(=[NH2+])N1CCC(C)CC1 ZINC000887323960 592480733 /nfs/dbraw/zinc/48/07/33/592480733.db2.gz NJOCGROFGFWGTF-LBPRGKRZSA-N 2 0 238.379 1.337 20 0 BDADRP CC[NH+](CC)CCCNC(=[NH2+])NCC(F)F ZINC000887346068 592483824 /nfs/dbraw/zinc/48/38/24/592483824.db2.gz PBDOSVGINMGFFJ-UHFFFAOYSA-N 2 0 236.310 1.097 20 0 BDADRP [NH3+][C@@H]1C[C@H](N[C@@H]2CCCC[C@H]2[NH3+])C12CCC2 ZINC000925704711 634384522 /nfs/dbraw/zinc/38/45/22/634384522.db2.gz JMAOMSOTFNISOD-KKOKHZNYSA-N 2 0 223.364 1.116 20 0 BDADRP COCC[C@@H]([NH3+])C[NH2+]CC1CCCCC1 ZINC001579003308 985663965 /nfs/dbraw/zinc/66/39/65/985663965.db2.gz DZGFLZRBDXCYGQ-GFCCVEGCSA-N 2 0 214.353 1.520 20 0 BDADRP C[C@H](N)[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000925705096 634385560 /nfs/dbraw/zinc/38/55/60/634385560.db2.gz HSNVMROVTDAQES-MXYBEHONSA-N 2 0 247.386 1.792 20 0 BDADRP C[C@H]([NH3+])[C@H](N[C@@H](C)[C@H](C)[NH3+])c1ccccc1 ZINC000925705028 634386319 /nfs/dbraw/zinc/38/63/19/634386319.db2.gz HJKABALGKQZTGM-ZPFDUUQYSA-N 2 0 221.348 1.400 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](C[C@H](O)CC2CCCC2)C1 ZINC000299995818 634405355 /nfs/dbraw/zinc/40/53/55/634405355.db2.gz MTADJXULERDSCG-CHWSQXEVSA-N 2 0 226.364 1.208 20 0 BDADRP C[C@H]([NH3+])[C@H](C)N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925711792 634413367 /nfs/dbraw/zinc/41/33/67/634413367.db2.gz RQHLWKWHVVUSIR-MMWGEVLESA-N 2 0 213.369 1.218 20 0 BDADRP COC1CC(CC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925713151 634414087 /nfs/dbraw/zinc/41/40/87/634414087.db2.gz KCAPJIUPFNXNLJ-TYUFSLCMSA-N 2 0 238.375 1.661 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CC[C@@H](C[NH3+])C1)[NH2+]2 ZINC000925713740 634418688 /nfs/dbraw/zinc/41/86/88/634418688.db2.gz YQOIFQAKTQHIEF-WCQYUDONSA-N 3 0 237.391 1.232 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])C1)[NH2+]2 ZINC000925713741 634418415 /nfs/dbraw/zinc/41/84/15/634418415.db2.gz YQOIFQAKTQHIEF-WFQJECDVSA-N 3 0 237.391 1.232 20 0 BDADRP CC(C)C[N@H+](C)CCCN[C@@H]1CC[NH2+]C1(C)C ZINC000925714208 634419180 /nfs/dbraw/zinc/41/91/80/634419180.db2.gz WZAMRQVSYHMORX-CYBMUJFWSA-N 2 0 241.423 1.694 20 0 BDADRP C[NH2+]C[C@H](C)[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000925715651 634443159 /nfs/dbraw/zinc/44/31/59/634443159.db2.gz GNKVQDSUTSPEIS-QNWHQSFQSA-N 2 0 226.364 1.389 20 0 BDADRP C([C@@H]1CCCOC1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000257697479 634470318 /nfs/dbraw/zinc/47/03/18/634470318.db2.gz PDWQJIFTQFDFOB-UONOGXRCSA-N 2 0 238.375 1.631 20 0 BDADRP Cc1cn(C)nc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000257715736 634479319 /nfs/dbraw/zinc/47/93/19/634479319.db2.gz UTSUBILOEVAQLZ-UHFFFAOYSA-N 2 0 248.374 1.304 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000925724517 634494689 /nfs/dbraw/zinc/49/46/89/634494689.db2.gz ZJLZTADSPQETIW-QWRGUYRKSA-N 2 0 223.364 1.001 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000104447328 634492312 /nfs/dbraw/zinc/49/23/12/634492312.db2.gz QEFNQFWCJOHIOA-IUODEOHRSA-N 2 0 248.370 1.779 20 0 BDADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)C1 ZINC000925726758 634523067 /nfs/dbraw/zinc/52/30/67/634523067.db2.gz LNGATNBCLPEERS-DHGKCCLASA-N 2 0 238.375 1.519 20 0 BDADRP [NH3+]CCC[C@H]([NH2+]CC1CC([NH3+])C1)c1ccccc1 ZINC000925731839 634568725 /nfs/dbraw/zinc/56/87/25/634568725.db2.gz VGSNLNUEOHAWSE-ZALBZXLWSA-N 3 0 247.386 1.794 20 0 BDADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](C[C@@H]1CCCOC1)C2 ZINC000310114985 634572313 /nfs/dbraw/zinc/57/23/13/634572313.db2.gz GUOAIZZYZHCLAY-IHRRRGAJSA-N 2 0 238.375 1.474 20 0 BDADRP Cc1c(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cnn1C ZINC000093651380 634579393 /nfs/dbraw/zinc/57/93/93/634579393.db2.gz CIZQNIOTOKCUPD-ZYHUDNBSSA-N 2 0 236.363 1.288 20 0 BDADRP C[C@@H]([NH2+]CCC(C)(C)[NH3+])c1ccnn1C ZINC000925736517 634590547 /nfs/dbraw/zinc/59/05/47/634590547.db2.gz BBQALWMNRPAYCC-SECBINFHSA-N 2 0 210.325 1.198 20 0 BDADRP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000925773200 635223643 /nfs/dbraw/zinc/22/36/43/635223643.db2.gz MMCSCHGZXNIFLO-QKFSQAGISA-N 2 0 208.349 1.748 20 0 BDADRP COC[C@@H]([NH2+]CCC(C)(C)[NH3+])C1CCOCC1 ZINC000925739482 634600140 /nfs/dbraw/zinc/60/01/40/634600140.db2.gz XIUHANYWGAQZGM-GFCCVEGCSA-N 2 0 244.379 1.145 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000423445153 634603346 /nfs/dbraw/zinc/60/33/46/634603346.db2.gz XNYWGVQHWJXOJZ-ZYHUDNBSSA-N 2 0 236.363 1.894 20 0 BDADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]CCC(C)(C)[NH3+] ZINC000925742227 634603746 /nfs/dbraw/zinc/60/37/46/634603746.db2.gz ZVWOYKKISNORLN-LLVKDONJSA-N 2 0 243.395 1.350 20 0 BDADRP C[C@H]1Cc2cc(C[NH2+]C3CC[NH2+]CC3)ccc2O1 ZINC000925830133 635464649 /nfs/dbraw/zinc/46/46/49/635464649.db2.gz FRROTDUTDVSMSS-NSHDSACASA-N 2 0 246.354 1.852 20 0 BDADRP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)[C@@H]1CCCO1 ZINC000925839864 635503391 /nfs/dbraw/zinc/50/33/91/635503391.db2.gz FCRAHJDAGJOHFG-IGQOVBAYSA-N 2 0 238.375 1.676 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000925880360 635609093 /nfs/dbraw/zinc/60/90/93/635609093.db2.gz PZFREUDOWGUGJM-SQNXGDPESA-N 2 0 208.349 1.892 20 0 BDADRP CCc1onc(C)c1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000925888257 635615354 /nfs/dbraw/zinc/61/53/54/635615354.db2.gz ARRWYVUYYWIGNX-WDEREUQCSA-N 2 0 237.347 1.905 20 0 BDADRP CO[C@@H]1C[C@@H]([NH2+][C@H](C)CC[NH+](C)C)C12CCC2 ZINC000308369469 631307164 /nfs/dbraw/zinc/30/71/64/631307164.db2.gz OIADIRIIDBECBS-JHJVBQTASA-N 2 0 240.391 1.874 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)Cc1ccco1 ZINC000234695004 631663653 /nfs/dbraw/zinc/66/36/53/631663653.db2.gz DRNXWGWIHANBNE-NEPJUHHUSA-N 2 0 240.347 1.554 20 0 BDADRP COC[C@@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000234696340 631663945 /nfs/dbraw/zinc/66/39/45/631663945.db2.gz YOOAFENGWDBCRT-GFCCVEGCSA-N 2 0 226.364 1.487 20 0 BDADRP C1=CC[C@@H]2C[N@@H+](C[C@H]3CCC[NH2+]3)C[C@@H]2C1 ZINC000308899948 631723618 /nfs/dbraw/zinc/72/36/18/631723618.db2.gz DOHLSKHUYGABQL-FRRDWIJNSA-N 2 0 206.333 1.636 20 0 BDADRP Cc1ccncc1C[NH2+]CCC(C)(C)[NH3+] ZINC000308968849 631775050 /nfs/dbraw/zinc/77/50/50/631775050.db2.gz ODPFMSUNICRZHN-UHFFFAOYSA-N 2 0 207.321 1.607 20 0 BDADRP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)CC(C)(C)C ZINC000309056608 631833209 /nfs/dbraw/zinc/83/32/09/631833209.db2.gz PURBFGXJFOPDGH-GFCCVEGCSA-N 2 0 228.380 1.421 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCC=CO2)C1 ZINC000190204992 631892570 /nfs/dbraw/zinc/89/25/70/631892570.db2.gz QKKXXJHZRMAVNK-KGLIPLIRSA-N 2 0 238.375 1.953 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](CNC(=[NH2+])NC(C)(C)C)C1 ZINC000052043290 632054268 /nfs/dbraw/zinc/05/42/68/632054268.db2.gz AKIBHFRAORHAEP-LLVKDONJSA-N 2 0 240.395 1.629 20 0 BDADRP C[NH+](C)CCCCNC(=[NH2+])NC1CCCC1 ZINC000052048290 632055840 /nfs/dbraw/zinc/05/58/40/632055840.db2.gz AYWIMTRGPWJXGU-UHFFFAOYSA-N 2 0 226.368 1.385 20 0 BDADRP CC[NH+]1CCN([C@@H](C)C[NH2+]CC(C)C)CC1 ZINC000052422223 632404442 /nfs/dbraw/zinc/40/44/42/632404442.db2.gz YMMCRTRAMZUWIK-ZDUSSCGKSA-N 2 0 227.396 1.258 20 0 BDADRP CO[C@@H](C)CC[NH2+]CC1CC[NH+](C)CC1 ZINC000308930527 632491237 /nfs/dbraw/zinc/49/12/37/632491237.db2.gz LYGSPPUOXRQFME-NSHDSACASA-N 2 0 214.353 1.343 20 0 BDADRP CCN1CCC[C@H]1C[NH2+][C@@H](C)COC(C)=O ZINC000892414251 632655631 /nfs/dbraw/zinc/65/56/31/632655631.db2.gz QZHDGZWONRYVQU-JQWIXIFHSA-N 2 0 228.336 1.012 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1NCC[NH+]1CCCCCC1 ZINC000089150313 632657694 /nfs/dbraw/zinc/65/76/94/632657694.db2.gz JACMSRULYNUOCA-ZIAGYGMSSA-N 2 0 239.407 1.579 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H](CO)C2)CC1 ZINC000310394905 632733583 /nfs/dbraw/zinc/73/35/83/632733583.db2.gz HFRDZEHXOZLDNK-KGLIPLIRSA-N 2 0 240.391 1.469 20 0 BDADRP CC[C@@H]1COC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000926665332 632793165 /nfs/dbraw/zinc/79/31/65/632793165.db2.gz CKKSCLUPZITPER-NDBYEHHHSA-N 2 0 226.364 1.341 20 0 BDADRP C[C@H]1COC[C@H](C)C1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000926667003 632793876 /nfs/dbraw/zinc/79/38/76/632793876.db2.gz XKPIETHZLVTOTR-ZDEQEGDKSA-N 2 0 240.391 1.587 20 0 BDADRP COCCC[N@H+](C)CC1CC[NH+](C)CC1 ZINC000154775621 632841014 /nfs/dbraw/zinc/84/10/14/632841014.db2.gz QTCDBPIVVAIJPQ-UHFFFAOYSA-N 2 0 214.353 1.297 20 0 BDADRP CCC(CC)[C@@H](CNC(=[NH2+])NC1CC1)[NH+](C)C ZINC000066245167 632860815 /nfs/dbraw/zinc/86/08/15/632860815.db2.gz OXKCHVYYGQJXCO-GFCCVEGCSA-N 2 0 240.395 1.420 20 0 BDADRP C[C@@H]1OCC[C@@H]1CN1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879580873 635868054 /nfs/dbraw/zinc/86/80/54/635868054.db2.gz VGYDEOXNBWNGFS-DGAVXFQQSA-N 2 0 238.375 1.437 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@@H](O)CC(C)C)CC1 ZINC000167127216 633126350 /nfs/dbraw/zinc/12/63/50/633126350.db2.gz MCAQNAUGSOAASD-ZDUSSCGKSA-N 2 0 228.380 1.467 20 0 BDADRP C[NH+](C)C1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000062911270 633137727 /nfs/dbraw/zinc/13/77/27/633137727.db2.gz XNRRRJUCIYXICF-CYBMUJFWSA-N 2 0 225.380 1.012 20 0 BDADRP FC(F)(F)CCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328239736 633748167 /nfs/dbraw/zinc/74/81/67/633748167.db2.gz AWLZKNYXJILNKO-MFDAYCCISA-N 2 0 248.292 1.915 20 0 BDADRP FCCCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328240003 633748798 /nfs/dbraw/zinc/74/87/98/633748798.db2.gz AYHBMGUDNCWYOB-NGDQXYMTSA-N 2 0 212.312 1.322 20 0 BDADRP COC[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C(C)C ZINC000328296992 633753327 /nfs/dbraw/zinc/75/33/27/633753327.db2.gz ANLRXIPHALKPPM-XNBXPENISA-N 2 0 238.375 1.243 20 0 BDADRP C1=CC[C@H](C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000328419646 633762346 /nfs/dbraw/zinc/76/23/46/633762346.db2.gz JLVCWLXIKADBDM-GXYBRJDSSA-N 2 0 232.371 1.929 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328411292 633764182 /nfs/dbraw/zinc/76/41/82/633764182.db2.gz HEHJAURSEPYXBF-GLBINXAQSA-N 2 0 238.375 1.124 20 0 BDADRP CC(C)CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328566342 633777075 /nfs/dbraw/zinc/77/70/75/633777075.db2.gz MPWDMFWMNTUFHI-OBPIAQAESA-N 2 0 208.349 1.619 20 0 BDADRP C[NH+](C)CCCN[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925503085 633828196 /nfs/dbraw/zinc/82/81/96/633828196.db2.gz MWAAJCWIPBRCLT-RYUDHWBXSA-N 2 0 227.396 1.434 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@H]1CC[NH2+]C1(C)C ZINC000925509917 633849028 /nfs/dbraw/zinc/84/90/28/633849028.db2.gz PVMWKUDOETYUTQ-NEPJUHHUSA-N 2 0 225.380 1.201 20 0 BDADRP CC1(C)[C@@H]([NH2+]CCn2ccnc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925510815 633850361 /nfs/dbraw/zinc/85/03/61/633850361.db2.gz ZQJSGGNNVDYIDR-AGIUHOORSA-N 2 0 248.374 1.249 20 0 BDADRP C[C@H](O)C[C@H](C)C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925511363 633852967 /nfs/dbraw/zinc/85/29/67/633852967.db2.gz LTRIGQJIPWNQBV-RVMXOQNASA-N 2 0 242.407 1.889 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1NC1CC[NH+](C2CC2)CC1 ZINC000925516944 633869877 /nfs/dbraw/zinc/86/98/77/633869877.db2.gz UQNUBKUVZXKTTQ-CYBMUJFWSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@H](NC(C[NH3+])C[NH3+])c1ccc(Cl)cc1 ZINC000309393814 633907855 /nfs/dbraw/zinc/90/78/55/633907855.db2.gz GHODZKCMAKUMKU-QMMMGPOBSA-N 2 0 227.739 1.277 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)COC(C)C)C1 ZINC000309955501 633978950 /nfs/dbraw/zinc/97/89/50/633978950.db2.gz IBIHXAOATKLVJS-OLZOCXBDSA-N 2 0 228.380 1.731 20 0 BDADRP CC(C)[C@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000309982581 634024383 /nfs/dbraw/zinc/02/43/83/634024383.db2.gz IPFTVAJCJOMAAR-KBPBESRZSA-N 2 0 240.391 1.421 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000925559634 634038695 /nfs/dbraw/zinc/03/86/95/634038695.db2.gz ZCSVBFOJBGRUAU-QWHCGFSZSA-N 2 0 237.391 1.201 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000925559632 634039617 /nfs/dbraw/zinc/03/96/17/634039617.db2.gz ZCSVBFOJBGRUAU-CHWSQXEVSA-N 2 0 237.391 1.201 20 0 BDADRP C[N@@H+]1CCC[C@H]1CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925565757 634058928 /nfs/dbraw/zinc/05/89/28/634058928.db2.gz XSXYQKCQQUIVHM-QWHCGFSZSA-N 2 0 237.391 1.345 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@H]1CC[NH2+]C12CCC2 ZINC000925578545 634078094 /nfs/dbraw/zinc/07/80/94/634078094.db2.gz WVKJGADXRGFXHN-STQMWFEESA-N 2 0 239.407 1.591 20 0 BDADRP [NH3+]CCC[C@@H]([NH2+]CCO)c1ccccc1 ZINC000925613038 634152374 /nfs/dbraw/zinc/15/23/74/634152374.db2.gz WSAZXLFUDWBEGI-GFCCVEGCSA-N 2 0 208.305 1.049 20 0 BDADRP C[C@H](CN[C@H]1CC[NH2+]C1(C)C)[NH+]1CCCCC1 ZINC000925613540 634153699 /nfs/dbraw/zinc/15/36/99/634153699.db2.gz RYPXOVYMYZTQRT-OLZOCXBDSA-N 2 0 239.407 1.591 20 0 BDADRP CCC[C@H](CCO)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925620786 634180677 /nfs/dbraw/zinc/18/06/77/634180677.db2.gz BGRVMQXDIARQLH-OLZOCXBDSA-N 2 0 240.391 1.659 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000925645855 634199863 /nfs/dbraw/zinc/19/98/63/634199863.db2.gz SJHZHQJSRXHLQZ-WUHRBBMRSA-N 2 0 240.391 1.786 20 0 BDADRP O[C@@H]1CC[C@H](C[NH2+][C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925650249 634209664 /nfs/dbraw/zinc/20/96/64/634209664.db2.gz SZRHSAAIZMCBJO-XQQFMLRXSA-N 2 0 238.375 1.412 20 0 BDADRP C[C@H]1OCC[C@H]1[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925676355 634265097 /nfs/dbraw/zinc/26/50/97/634265097.db2.gz ZXFCVDASATWSRD-NOOOWODRSA-N 2 0 226.364 1.659 20 0 BDADRP C[C@H](CCO)CC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925679911 634277393 /nfs/dbraw/zinc/27/73/93/634277393.db2.gz LLUCCWJJTOVDLG-STQMWFEESA-N 2 0 240.391 1.659 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925679015 634277661 /nfs/dbraw/zinc/27/76/61/634277661.db2.gz HCZBXXGNURQEBP-CHWSQXEVSA-N 2 0 240.391 1.802 20 0 BDADRP c1cc(C[NH2+]C[C@H]2CCCO2)c2c(c1)C[NH2+]CC2 ZINC000123914427 634288387 /nfs/dbraw/zinc/28/83/87/634288387.db2.gz QCBTXVALWXDEFR-CQSZACIVSA-N 2 0 246.354 1.601 20 0 BDADRP COCC(COC)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925692491 634325144 /nfs/dbraw/zinc/32/51/44/634325144.db2.gz QJIBRYXSEBVRDT-QWRGUYRKSA-N 2 0 244.379 1.143 20 0 BDADRP [NH3+][C@H]1C[C@H](NCC2([NH3+])CCCCC2)C12CCC2 ZINC000925693238 634327539 /nfs/dbraw/zinc/32/75/39/634327539.db2.gz QLAWUXUIWPKWDL-RYUDHWBXSA-N 2 0 237.391 1.508 20 0 BDADRP C[C@@H]([NH3+])[C@@H](NCC[C@H](C)[NH3+])c1ccccc1 ZINC000925694712 634337214 /nfs/dbraw/zinc/33/72/14/634337214.db2.gz SEIATHMUASPCCF-DMDPSCGWSA-N 2 0 221.348 1.402 20 0 BDADRP C[C@@H]([NH3+])[C@H](NCC[C@H](C)[NH3+])c1ccccc1 ZINC000925694715 634337556 /nfs/dbraw/zinc/33/75/56/634337556.db2.gz SEIATHMUASPCCF-LOWVWBTDSA-N 2 0 221.348 1.402 20 0 BDADRP CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925696695 634355735 /nfs/dbraw/zinc/35/57/35/634355735.db2.gz YEQXSKQTAQBBSK-YQFOFLOKSA-N 2 0 234.387 1.865 20 0 BDADRP C[C@@H]([NH3+])CN[C@H](CCC[NH3+])c1ccccc1 ZINC000925698120 634363301 /nfs/dbraw/zinc/36/33/01/634363301.db2.gz BZEJCTSTDSBZBZ-DGCLKSJQSA-N 3 0 221.348 1.403 20 0 BDADRP C[C@H]([NH3+])[C@H](N[C@@H]1CC[NH2+][C@H](C)C1)c1ccccc1 ZINC000925697958 634363447 /nfs/dbraw/zinc/36/34/47/634363447.db2.gz BPXPXMMBBPLSKN-OSRDXIQISA-N 2 0 247.386 1.805 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000925699344 634366053 /nfs/dbraw/zinc/36/60/53/634366053.db2.gz OGGSQPIBRJJBJN-NSHDSACASA-N 3 0 225.380 1.106 20 0 BDADRP C1CO[C@@]2(C1)CCC[C@@H]2[NH2+]C1CC[NH2+]CC1 ZINC000925772904 635218990 /nfs/dbraw/zinc/21/89/90/635218990.db2.gz LHCMLEIVEQYRQQ-QWHCGFSZSA-N 2 0 224.348 1.430 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000094949049 635252805 /nfs/dbraw/zinc/25/28/05/635252805.db2.gz CTVIHBYXSPGVHO-CHWSQXEVSA-N 2 0 242.407 1.715 20 0 BDADRP C[C@H]([NH2+]C1CCN(CC[NH3+])CC1)c1ccccc1 ZINC000259231364 635258945 /nfs/dbraw/zinc/25/89/45/635258945.db2.gz LBCVUDCKWWERFE-ZDUSSCGKSA-N 2 0 247.386 1.760 20 0 BDADRP CC1(O)CCC([NH2+][C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000925781885 635273872 /nfs/dbraw/zinc/27/38/72/635273872.db2.gz ZAIMFTCYOXUMPA-BFUDSRACSA-N 2 0 212.337 1.149 20 0 BDADRP CN(C)c1cc[nH+]c(CN[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000925813489 635373793 /nfs/dbraw/zinc/37/37/93/635373793.db2.gz UIMMVJVNXVIIIO-FZMZJTMJSA-N 2 0 248.374 1.365 20 0 BDADRP Cc1cc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)nc(N)[nH+]1 ZINC000227497918 635450546 /nfs/dbraw/zinc/45/05/46/635450546.db2.gz YMNBTYAMECPSPR-UWVGGRQHSA-N 2 0 235.335 1.262 20 0 BDADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCC1CC=CC1 ZINC000925833014 635474547 /nfs/dbraw/zinc/47/45/47/635474547.db2.gz QZSNNLPZLQFAMQ-YUTCNCBUSA-N 2 0 238.375 1.685 20 0 BDADRP C[C@H](CC1CCOCC1)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925874979 635595543 /nfs/dbraw/zinc/59/55/43/635595543.db2.gz ARBGRQPHLZLQBL-BNOWGMLFSA-N 2 0 240.391 1.909 20 0 BDADRP CCc1onc(C)c1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000925891680 635618399 /nfs/dbraw/zinc/61/83/99/635618399.db2.gz WSQPPSZRKISSAN-JQWIXIFHSA-N 2 0 237.347 1.762 20 0 BDADRP CC(C)C[C@@H](CO)[NH2+]CC1CC[NH+](C)CC1 ZINC000054243520 636242603 /nfs/dbraw/zinc/24/26/03/636242603.db2.gz HRJGIQSGCGYQBB-ZDUSSCGKSA-N 2 0 228.380 1.325 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000054243851 636245084 /nfs/dbraw/zinc/24/50/84/636245084.db2.gz YMQXZMHAZSNRMP-CHWSQXEVSA-N 2 0 226.364 1.485 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC(C)(C)CCO ZINC000925184653 636361918 /nfs/dbraw/zinc/36/19/18/636361918.db2.gz DOSMHXYIWQDZOF-FUNVUKJBSA-N 2 0 240.391 1.325 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1ccncc1 ZINC000925279781 636705990 /nfs/dbraw/zinc/70/59/90/636705990.db2.gz QNUNTOVHHXIGIT-YIONKMFJSA-N 2 0 245.370 1.554 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@H]1C[NH3+])c1cccnc1 ZINC000088169839 636897096 /nfs/dbraw/zinc/89/70/96/636897096.db2.gz YQIUCTPMCLRTPT-GVXVVHGQSA-N 2 0 219.332 1.860 20 0 BDADRP CC1(C)C[C@@H](O)C[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000866704327 636933798 /nfs/dbraw/zinc/93/37/98/636933798.db2.gz SSVYOGQFPQVMEW-NWDGAFQWSA-N 2 0 226.364 1.079 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc[nH]c(=O)c2)C1 ZINC000924704248 637013030 /nfs/dbraw/zinc/01/30/30/637013030.db2.gz CDSPJNFJYRBPCI-RYUDHWBXSA-N 2 0 249.358 1.780 20 0 BDADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@@H]1CCCCO1 ZINC000054602361 637035944 /nfs/dbraw/zinc/03/59/44/637035944.db2.gz DPKIPJBIFBQZDN-GSPSYOTPSA-N 2 0 238.375 1.900 20 0 BDADRP OC[C@H]1C[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000927151677 637061970 /nfs/dbraw/zinc/06/19/70/637061970.db2.gz YVALBRGOZZKYKF-MQMHXKEQSA-N 2 0 238.375 1.221 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H](CCO)C2CC2)C1 ZINC000902363079 637299032 /nfs/dbraw/zinc/29/90/32/637299032.db2.gz UCGSFOMKGFYKHV-OLZOCXBDSA-N 2 0 240.391 1.515 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902362806 637300628 /nfs/dbraw/zinc/30/06/28/637300628.db2.gz ZWMJQLFIRHRDPM-OCCSQVGLSA-N 2 0 242.407 1.905 20 0 BDADRP CC(C)[C@@H](O)C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902363591 637301859 /nfs/dbraw/zinc/30/18/59/637301859.db2.gz XDHADMVYDDPZRT-RYUDHWBXSA-N 2 0 228.380 1.371 20 0 BDADRP C[C@H](N[C@H]1C[NH2+]CC1(C)C)[C@@H]1CCCC[NH2+]1 ZINC000902446461 637306263 /nfs/dbraw/zinc/30/62/63/637306263.db2.gz SYZQCKSPSHCGOX-SRVKXCTJSA-N 2 0 225.380 1.105 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@H](O)C1CC1 ZINC000903412042 637359309 /nfs/dbraw/zinc/35/93/09/637359309.db2.gz RXGGECQKXSFZCD-WJLOJVBCSA-N 2 0 238.375 1.077 20 0 BDADRP C[C@@H]1CCCN(C[C@H]2CCC[NH2+]2)[C@H]1CC[NH3+] ZINC000903461643 637362198 /nfs/dbraw/zinc/36/21/98/637362198.db2.gz XEADWHYYJCAKTM-UPJWGTAASA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@H]1CCCN(C[C@H]2CCC[NH2+]2)[C@@H]1CCC[NH3+] ZINC000903463797 637364820 /nfs/dbraw/zinc/36/48/20/637364820.db2.gz NFFWWOYTYZQEGT-MGPQQGTHSA-N 2 0 239.407 1.578 20 0 BDADRP C[NH2+]C[C@@H]1CCCCN1C[C@H]1CCCC[NH2+]C1 ZINC000903787470 637382033 /nfs/dbraw/zinc/38/20/33/637382033.db2.gz WYPBTDCBXPBYFC-KBPBESRZSA-N 2 0 239.407 1.450 20 0 BDADRP Cc1cnc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)nc1 ZINC000903788210 637382573 /nfs/dbraw/zinc/38/25/73/637382573.db2.gz FWYBQQFDQBGQAD-VXGBXAGGSA-N 2 0 234.347 1.202 20 0 BDADRP Cc1cc(C)nc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000903789248 637384417 /nfs/dbraw/zinc/38/44/17/637384417.db2.gz VNYAYMUZEBXPEV-UONOGXRCSA-N 2 0 245.370 1.740 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)N[C@H]1C[NH2+]CC1(C)C ZINC000904462571 637407497 /nfs/dbraw/zinc/40/74/97/637407497.db2.gz WKZVKRDAQGOHCZ-WOPDTQHZSA-N 2 0 225.380 1.105 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+]C2([C@H]3CCCCO3)CC2)C1 ZINC000904445126 637414504 /nfs/dbraw/zinc/41/45/04/637414504.db2.gz WDUQBKSUXVDCKC-GRYCIOLGSA-N 2 0 224.348 1.415 20 0 BDADRP C[C@H]([NH2+]C1CC(C[NH3+])C1)c1cncs1 ZINC000904470279 637423331 /nfs/dbraw/zinc/42/33/31/637423331.db2.gz WSBAXIVHTYLLOX-UEJVZZJDSA-N 2 0 211.334 1.531 20 0 BDADRP CSCC(C)(C)[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000904477414 637428313 /nfs/dbraw/zinc/42/83/13/637428313.db2.gz VTEDNIBIMXQCNC-ZETCQYMHSA-N 2 0 226.336 1.700 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000904925805 637529152 /nfs/dbraw/zinc/52/91/52/637529152.db2.gz MDBNHFUBUUAJSI-WZRBSPASSA-N 2 0 241.379 1.232 20 0 BDADRP CC1(C)C[NH2+]C[C@H]1c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000905304973 637762391 /nfs/dbraw/zinc/76/23/91/637762391.db2.gz PRGSFUZWKJFNKG-IUCAKERBSA-N 2 0 236.319 1.207 20 0 BDADRP Cc1cccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)c1C ZINC000906508282 638180004 /nfs/dbraw/zinc/18/00/04/638180004.db2.gz KLLWSDDZCDZCOD-JOCQHMNTSA-N 2 0 204.317 1.883 20 0 BDADRP [NH3+]C1CC(NCc2nccc3ccccc32)C1 ZINC000906509576 638181822 /nfs/dbraw/zinc/18/18/22/638181822.db2.gz KAMMDWDPMFIHCZ-UHFFFAOYSA-N 2 0 227.311 1.814 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC000906508653 638181952 /nfs/dbraw/zinc/18/19/52/638181952.db2.gz SPFLIQRQHYFQRS-XYPYZODXSA-N 2 0 210.708 1.919 20 0 BDADRP [NH3+]C1CC(N[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000906511459 638183161 /nfs/dbraw/zinc/18/31/61/638183161.db2.gz UODZOTLCPKVPKT-JYVUQVBGSA-N 2 0 245.370 1.559 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(F)c3cccnc23)C1 ZINC000906516351 638186324 /nfs/dbraw/zinc/18/63/24/638186324.db2.gz FRFXCTAFAJYWMO-XYPYZODXSA-N 2 0 245.301 1.953 20 0 BDADRP CCCCN(CC[NH+](C)C)CC[NH+](C)C ZINC000906531117 638198201 /nfs/dbraw/zinc/19/82/01/638198201.db2.gz KFAZVRBKMREPGT-UHFFFAOYSA-N 2 0 215.385 1.212 20 0 BDADRP CC(C)(C[NH3+])CC(=O)Nc1cccc(C[NH3+])c1 ZINC000911649456 639704395 /nfs/dbraw/zinc/70/43/95/639704395.db2.gz RXIIAOIUGXBLAM-UHFFFAOYSA-N 2 0 235.331 1.459 20 0 BDADRP CC[C@H](C)C[C@H]([NH3+])C(=O)Nc1cccc(C[NH3+])c1 ZINC000911649883 639707469 /nfs/dbraw/zinc/70/74/69/639707469.db2.gz WWIILZKQJXFZNR-GWCFXTLKSA-N 2 0 249.358 1.847 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)CC(C)(C)C[NH3+] ZINC000911684607 639726193 /nfs/dbraw/zinc/72/61/93/639726193.db2.gz PEEFXXQMEHVTRP-QWRGUYRKSA-N 2 0 241.379 1.090 20 0 BDADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N1CCCC[C@H]1C[NH3+] ZINC000911722405 639744823 /nfs/dbraw/zinc/74/48/23/639744823.db2.gz ROHWDKYAIUTFCC-SDDRHHMPSA-N 2 0 241.379 1.090 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)NCCC[NH2+]C(C)C ZINC000911761738 639801536 /nfs/dbraw/zinc/80/15/36/639801536.db2.gz GGFOCQAADXXCMA-LBPRGKRZSA-N 2 0 243.395 1.254 20 0 BDADRP CC(C)(C)[C@@H]([NH3+])CC(=O)NC1(C[NH3+])CCCC1 ZINC000911801040 639821875 /nfs/dbraw/zinc/82/18/75/639821875.db2.gz XHLHDADIWXRFTP-JTQLQIEISA-N 2 0 241.379 1.138 20 0 BDADRP CC[C@H](C)C[C@H]([NH3+])C(=O)NC1(C[NH3+])CCCC1 ZINC000911800843 639822150 /nfs/dbraw/zinc/82/21/50/639822150.db2.gz VETQVHGGAFGPFX-QWRGUYRKSA-N 2 0 241.379 1.138 20 0 BDADRP C[NH2+]C1CC(C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000911844440 639854736 /nfs/dbraw/zinc/85/47/36/639854736.db2.gz GHECJMSAZZLJQR-CBZQXFMTSA-N 2 0 247.342 1.643 20 0 BDADRP C[C@H]1CC[C@H]([NH2+]CCN2CCC([NH3+])CC2)C1 ZINC000129400678 639993000 /nfs/dbraw/zinc/99/30/00/639993000.db2.gz KRYGKXLRZKUVEP-AAEUAGOBSA-N 2 0 225.380 1.188 20 0 BDADRP C[N@@H+]1CC[C@@H]2CN(Cc3ccno3)C[C@@H]2C1 ZINC000931431597 640198366 /nfs/dbraw/zinc/19/83/66/640198366.db2.gz BNNZVUWBNMPJMV-MNOVXSKESA-N 2 0 221.304 1.058 20 0 BDADRP Cc1cncc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c1 ZINC000931438299 640202984 /nfs/dbraw/zinc/20/29/84/640202984.db2.gz WNWSAHBSQTVYCC-CABCVRRESA-N 2 0 245.370 1.774 20 0 BDADRP CC[C@@H](C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1)OC ZINC000931441251 640207504 /nfs/dbraw/zinc/20/75/04/640207504.db2.gz FTVLPHDIQFHAAJ-XQQFMLRXSA-N 2 0 226.364 1.295 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc[nH]c(=O)c3)C[C@@H]2C1 ZINC000931441379 640208149 /nfs/dbraw/zinc/20/81/49/640208149.db2.gz HHLPBAKUGCFGRE-OLZOCXBDSA-N 2 0 247.342 1.171 20 0 BDADRP Nc1ccnc2c1C[N@H+](CC1CC1)CC2 ZINC000931511639 640241760 /nfs/dbraw/zinc/24/17/60/640241760.db2.gz CQLJUIJTROXPMX-UHFFFAOYSA-N 2 0 203.289 1.432 20 0 BDADRP CC(C)[C@H](O)CN1CCc2[nH+]ccc(N)c2C1 ZINC000931520177 640250572 /nfs/dbraw/zinc/25/05/72/640250572.db2.gz YBDNZIFYOQQGFC-CYBMUJFWSA-N 2 0 235.331 1.039 20 0 BDADRP C[N@@H+]1CC[C@@H]2CN(CC[NH+]3CCCC3)CC[C@H]21 ZINC000931548270 640268039 /nfs/dbraw/zinc/26/80/39/640268039.db2.gz XIRXQWCKUWKYHG-ZIAGYGMSSA-N 2 0 237.391 1.108 20 0 BDADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1cc(CO)on1 ZINC000924853217 640282256 /nfs/dbraw/zinc/28/22/56/640282256.db2.gz JDRLQGNXEXSOEB-JTQLQIEISA-N 2 0 241.335 1.159 20 0 BDADRP COC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000931717843 640335854 /nfs/dbraw/zinc/33/58/54/640335854.db2.gz DSIVPFYAHXVCQS-UTUOFQBUSA-N 2 0 212.337 1.190 20 0 BDADRP CN1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCCF ZINC000931724519 640337960 /nfs/dbraw/zinc/33/79/60/640337960.db2.gz DAAFPXANYRXBDW-WDEREUQCSA-N 2 0 200.301 1.515 20 0 BDADRP CC[C@H](CO)[NH2+]CCC[NH+](CC)CC ZINC000931772844 640364628 /nfs/dbraw/zinc/36/46/28/640364628.db2.gz CKCIRXDSDHTXSP-LLVKDONJSA-N 2 0 202.342 1.079 20 0 BDADRP C[NH+]1CCC(C[NH2+]C[C@H](O)c2ccccc2)CC1 ZINC000044518019 640398070 /nfs/dbraw/zinc/39/80/70/640398070.db2.gz MSSKXYDQHIOBSQ-HNNXBMFYSA-N 2 0 248.370 1.651 20 0 BDADRP CN1CCC([NH2+]CC2CC[NH+](C)CC2)CC1 ZINC000044515326 640399995 /nfs/dbraw/zinc/39/99/95/640399995.db2.gz PTAFQADPBQXFGW-UHFFFAOYSA-N 2 0 225.380 1.012 20 0 BDADRP C[C@H]1CC[N@H+](CC[C@H]2CCCC[NH+]2C)CCO1 ZINC000932348975 640490842 /nfs/dbraw/zinc/49/08/42/640490842.db2.gz CWLZMKAEWZITGZ-UONOGXRCSA-N 2 0 240.391 1.972 20 0 BDADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H]1CCOC1 ZINC000222820293 640509430 /nfs/dbraw/zinc/50/94/30/640509430.db2.gz BMQZTPMXZXJSEN-DUJLVANISA-N 2 0 238.375 1.626 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H](C)[C@@H]1C ZINC000223934465 640594442 /nfs/dbraw/zinc/59/44/42/640594442.db2.gz KDRXCKFHUDCNPO-NDBYEHHHSA-N 2 0 210.365 1.962 20 0 BDADRP C[N@@H+]1C[C@@H]2C[NH+](CC[C@H]3CCCO3)C[C@]2(C)C1 ZINC000933733005 640757992 /nfs/dbraw/zinc/75/79/92/640757992.db2.gz YKUHYONWDXFXJR-MCIONIFRSA-N 2 0 238.375 1.439 20 0 BDADRP CO[C@H](C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)C1CC1 ZINC000933734217 640760700 /nfs/dbraw/zinc/76/07/00/640760700.db2.gz QLHOVWFSTOCEMX-BFHYXJOUSA-N 2 0 238.375 1.295 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](CCc2cnn(C)c2)CC1 ZINC000226420093 640762810 /nfs/dbraw/zinc/76/28/10/640762810.db2.gz ZMYGLNOXVWQBAJ-NSHDSACASA-N 2 0 236.363 1.022 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(CO)c1 ZINC000227456452 640834341 /nfs/dbraw/zinc/83/43/41/640834341.db2.gz NTZCOEQGXMMQJZ-CABCVRRESA-N 2 0 248.370 1.786 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227541446 640839050 /nfs/dbraw/zinc/83/90/50/640839050.db2.gz KFRXGCVVRHRXAS-RDBSUJKOSA-N 2 0 234.343 1.882 20 0 BDADRP C[C@@H](O)CCC[NH2+]CC1CC[NH+](C)CC1 ZINC000227587796 640841429 /nfs/dbraw/zinc/84/14/29/640841429.db2.gz WNZFHVYZUIOMSB-LLVKDONJSA-N 2 0 214.353 1.079 20 0 BDADRP CCOc1cccc(C[NH2+]C2CC([NH3+])C2)c1 ZINC000087651619 640957197 /nfs/dbraw/zinc/95/71/97/640957197.db2.gz WCXLZTWJFACXDW-UHFFFAOYSA-N 2 0 220.316 1.665 20 0 BDADRP [NH3+]CCN(CC[NH3+])Cc1cccc(Cl)c1 ZINC000061805916 640996852 /nfs/dbraw/zinc/99/68/52/640996852.db2.gz HFSGYVKXFWNINX-UHFFFAOYSA-N 2 0 227.739 1.059 20 0 BDADRP CO[C@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000230314086 641046380 /nfs/dbraw/zinc/04/63/80/641046380.db2.gz JBXNIGCPVRZBTO-RYUDHWBXSA-N 2 0 212.337 1.097 20 0 BDADRP CC[NH+]1CCN(C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000062861801 641101022 /nfs/dbraw/zinc/10/10/22/641101022.db2.gz GOESTEHXEUOMGP-ZDUSSCGKSA-N 2 0 225.380 1.014 20 0 BDADRP C[C@@]1(C[N@@H+]2CCCOCC2)CCC[NH2+]C1 ZINC000062868029 641104102 /nfs/dbraw/zinc/10/41/02/641104102.db2.gz ICQFFKFSQQMVJP-GFCCVEGCSA-N 2 0 212.337 1.098 20 0 BDADRP Cn1nccc1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000231035316 641128013 /nfs/dbraw/zinc/12/80/13/641128013.db2.gz MMPSGKNJRDOAKP-TZMCWYRMSA-N 2 0 248.374 1.179 20 0 BDADRP C[NH+](C)CCC[NH2+][C@H]1CCOC12CCCC2 ZINC000934384084 641138214 /nfs/dbraw/zinc/13/82/14/641138214.db2.gz BJYGCXYUHKFPTF-LBPRGKRZSA-N 2 0 226.364 1.629 20 0 BDADRP C[NH+]1CCC(C[NH2+]Cc2ccno2)CC1 ZINC000231885046 641212637 /nfs/dbraw/zinc/21/26/37/641212637.db2.gz JWHNGTCQHCAGLL-UHFFFAOYSA-N 2 0 209.293 1.106 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CC=CC[C@H]1C ZINC000934622733 641219813 /nfs/dbraw/zinc/21/98/13/641219813.db2.gz WDGOHHSDMLYQAL-MGPQQGTHSA-N 2 0 240.391 1.632 20 0 BDADRP C[N@H+](CCC[NH3+])C[C@@H](O)CC1CCCC1 ZINC000232148806 641248544 /nfs/dbraw/zinc/24/85/44/641248544.db2.gz NFNUGZYOSVYTMP-LBPRGKRZSA-N 2 0 214.353 1.208 20 0 BDADRP c1ccc2c(c1)CC([NH2+][C@H]1CCC[NH2+]CC1)C2 ZINC000232450455 641271843 /nfs/dbraw/zinc/27/18/43/641271843.db2.gz HXYIXCINYMYMQV-AWEZNQCLSA-N 2 0 230.355 1.886 20 0 BDADRP C[C@H]([NH2+]Cc1ccon1)C1CC[NH+](C)CC1 ZINC000088052601 641281813 /nfs/dbraw/zinc/28/18/13/641281813.db2.gz YUTJCDLQRXXPQL-JTQLQIEISA-N 2 0 223.320 1.495 20 0 BDADRP C(C[C@H]1CCOC1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000232460128 641285788 /nfs/dbraw/zinc/28/57/88/641285788.db2.gz MMILEWMBEWYHIP-RYUDHWBXSA-N 2 0 212.337 1.002 20 0 BDADRP C[NH+](C)C(C)(C)CNC(=O)CC[NH2+]C(C)(C)C ZINC000040807296 641537892 /nfs/dbraw/zinc/53/78/92/641537892.db2.gz MHACRONOXFEJRV-UHFFFAOYSA-N 2 0 243.395 1.221 20 0 BDADRP C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000157435056 641618852 /nfs/dbraw/zinc/61/88/52/641618852.db2.gz NBUHZLGPWAINLL-HZSPNIEDSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@@H]1C[C@H](NC(=O)CCCCC[NH3+])CC[N@@H+]1C ZINC000157841777 641625502 /nfs/dbraw/zinc/62/55/02/641625502.db2.gz CIZFOCNLRYRHLA-VXGBXAGGSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCOC1 ZINC000158632632 641643389 /nfs/dbraw/zinc/64/33/89/641643389.db2.gz XDSIQZOJNYVYNQ-USZNOCQGSA-N 2 0 212.337 1.128 20 0 BDADRP CCC([NH3+])(CC)C[NH2+][C@H](C)[C@H]1CCOC1 ZINC000158633785 641644697 /nfs/dbraw/zinc/64/46/97/641644697.db2.gz CRELKUGWGUKYCU-MNOVXSKESA-N 2 0 214.353 1.519 20 0 BDADRP C[C@@H]1CCCN(C(=O)CCCCC[NH3+])[C@H]1C[NH3+] ZINC000154150114 641970474 /nfs/dbraw/zinc/97/04/74/641970474.db2.gz OFTNENVZZJLAIM-NEPJUHHUSA-N 2 0 241.379 1.091 20 0 BDADRP C[NH+](C)CCSC[C@H]1CCC[N@@H+]1C ZINC000917193754 642028518 /nfs/dbraw/zinc/02/85/18/642028518.db2.gz LDYYVQIRIJKRTQ-SNVBAGLBSA-N 2 0 202.367 1.375 20 0 BDADRP C[N@H+](Cc1ccccc1)[C@H](CNC(N)=[NH2+])C1CC1 ZINC000248534935 642389164 /nfs/dbraw/zinc/38/91/64/642389164.db2.gz JUWRMDZZGHLBIH-CYBMUJFWSA-N 2 0 246.358 1.380 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)CCS1 ZINC000233952514 642713383 /nfs/dbraw/zinc/71/33/83/642713383.db2.gz UZBAYJJIHPXVFN-GRYCIOLGSA-N 2 0 228.405 1.669 20 0 BDADRP NC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000068041927 642733760 /nfs/dbraw/zinc/73/37/60/642733760.db2.gz QWBJVSHECYSICO-GFCCVEGCSA-N 2 0 238.379 1.514 20 0 BDADRP C[NH+](C)CC1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000068908810 642808437 /nfs/dbraw/zinc/80/84/37/642808437.db2.gz XMGRNIMZPLQXGX-ZDUSSCGKSA-N 2 0 226.364 1.031 20 0 BDADRP C[C@H]([NH3+])CCC(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000070317080 643013147 /nfs/dbraw/zinc/01/31/47/643013147.db2.gz WKGVTQMQSWPSPE-RYUDHWBXSA-N 2 0 241.379 1.104 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](CCOc2ccc(C)cc2)C1 ZINC000071147364 643103106 /nfs/dbraw/zinc/10/31/06/643103106.db2.gz VUTQFJHXSYODFV-CQSZACIVSA-N 2 0 248.370 1.915 20 0 BDADRP CC[C@H](CCO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000183870454 643174534 /nfs/dbraw/zinc/17/45/34/643174534.db2.gz QPKFCELMIFNWBM-ODWCKFRGSA-N 2 0 226.364 1.362 20 0 BDADRP C1SCC1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000307279702 643428338 /nfs/dbraw/zinc/42/83/38/643428338.db2.gz XPJCZGMMLGDIPQ-ONGXEEELSA-N 2 0 212.362 1.318 20 0 BDADRP [NH3+]C[C@H]1C[N@H+](C/C=C\Cl)CC12CCOCC2 ZINC000846220383 643647878 /nfs/dbraw/zinc/64/78/78/643647878.db2.gz HUYARHJZOYJBBJ-WYEHYUNLSA-N 2 0 244.766 1.426 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1ccncc1 ZINC000084218015 643651126 /nfs/dbraw/zinc/65/11/26/643651126.db2.gz GUFDBIKPXNLDRX-CYZMBNFOSA-N 2 0 219.332 1.860 20 0 BDADRP CC(=O)Nc1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000050245285 643661298 /nfs/dbraw/zinc/66/12/98/643661298.db2.gz HRDYZOOMXYWRBI-CYBMUJFWSA-N 2 0 247.342 1.426 20 0 BDADRP C[NH+]1CCC(C[NH2+]C[C@H]2CCC=CO2)CC1 ZINC000050269648 643673689 /nfs/dbraw/zinc/67/36/89/643673689.db2.gz CWPJMPRPPUXOKT-CYBMUJFWSA-N 2 0 224.348 1.611 20 0 BDADRP CC[C@@H]1CO[C@H](C)C[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000085015079 643678976 /nfs/dbraw/zinc/67/89/76/643678976.db2.gz IJILCLZVDGZALN-FVCCEPFGSA-N 2 0 226.364 1.613 20 0 BDADRP Cc1cc(N2CC[NH+](CC(C)C)CC2)nc(N)[nH+]1 ZINC000085121475 643685651 /nfs/dbraw/zinc/68/56/51/643685651.db2.gz PTHLPBMPXBFGDS-UHFFFAOYSA-N 2 0 249.362 1.145 20 0 BDADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)CC(C)(C)[NH3+])C1 ZINC000237045514 643694477 /nfs/dbraw/zinc/69/44/77/643694477.db2.gz PVEWVBZZJCSQSU-QWRGUYRKSA-N 2 0 241.379 1.103 20 0 BDADRP CCC(CC)(CO)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000230217323 643766873 /nfs/dbraw/zinc/76/68/73/643766873.db2.gz GVERPGNMPZRZDF-STQMWFEESA-N 2 0 242.407 1.892 20 0 BDADRP C[N@H+]1CC=C(C[NH2+]Cc2cc[nH]c(=O)c2)CC1 ZINC000921968717 643834815 /nfs/dbraw/zinc/83/48/15/643834815.db2.gz NHOUQCYKYUFCMN-UHFFFAOYSA-N 2 0 233.315 1.139 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]CC1CCOCC1 ZINC000086496303 644142864 /nfs/dbraw/zinc/14/28/64/644142864.db2.gz CDYKPXAUMQJUTE-DGCLKSJQSA-N 2 0 226.364 1.533 20 0 BDADRP Cc1ccc([C@H](O)C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000923280249 644311066 /nfs/dbraw/zinc/31/10/66/644311066.db2.gz FZHUCMCOPMAUFN-GXTWGEPZSA-N 2 0 234.343 1.309 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CCCCN1CCC[NH2+]C1CC1 ZINC000923279112 644312968 /nfs/dbraw/zinc/31/29/68/644312968.db2.gz FHJSISWHNUEOKY-DGCLKSJQSA-N 2 0 225.380 1.330 20 0 BDADRP CC(C)CC[C@H](O)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000923288099 644321652 /nfs/dbraw/zinc/32/16/52/644321652.db2.gz HKMYJBJAMILVAN-IHRRRGAJSA-N 2 0 242.407 1.843 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000923288869 644322801 /nfs/dbraw/zinc/32/28/01/644322801.db2.gz CYMMCAVXNZSWRO-HUUCEWRRSA-N 2 0 248.370 1.131 20 0 BDADRP [NH3+]C[C@@H]1CCCN1C[C@H](O)Cc1ccccc1 ZINC000923293615 644329081 /nfs/dbraw/zinc/32/90/81/644329081.db2.gz ZGWCDUXOAKFCQX-UONOGXRCSA-N 2 0 234.343 1.013 20 0 BDADRP CCc1ncc(C[N@H+](C)C2CCC([NH3+])CC2)o1 ZINC000923294994 644332933 /nfs/dbraw/zinc/33/29/33/644332933.db2.gz SHJFGXHNXRRXDG-UHFFFAOYSA-N 2 0 237.347 1.939 20 0 BDADRP CCOCCOCC[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000923296177 644335555 /nfs/dbraw/zinc/33/55/55/644335555.db2.gz OKTJGRZDGGGRFS-LBPRGKRZSA-N 2 0 232.368 1.003 20 0 BDADRP C[C@@](C[NH3+])([NH2+]C[C@H](O)CC(F)(F)F)C1CC1 ZINC000923296406 644336000 /nfs/dbraw/zinc/33/60/00/644336000.db2.gz RKUQQEGQYDMICD-BDAKNGLRSA-N 2 0 240.269 1.017 20 0 BDADRP CC[N@H+](Cc1cccs1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923301627 644337416 /nfs/dbraw/zinc/33/74/16/644337416.db2.gz IWTRQHXIPPHONH-DLOVCJGASA-N 2 0 240.372 1.421 20 0 BDADRP C[C@@H]1C[C@@H](C)[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923313636 644341887 /nfs/dbraw/zinc/34/18/87/644341887.db2.gz IICPBVICFQOVOI-IJLUTSLNSA-N 2 0 224.348 1.095 20 0 BDADRP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1[C@H]2CC[C@@H]1CCC2 ZINC000923315779 644343650 /nfs/dbraw/zinc/34/36/50/644343650.db2.gz JUFWJHAQFMVWFQ-XQQFMLRXSA-N 2 0 236.359 1.382 20 0 BDADRP CCC[N@H+](C[C@H](O)CSC)C1CC[NH2+]CC1 ZINC000923327900 644347470 /nfs/dbraw/zinc/34/74/70/644347470.db2.gz SWTGUUFVQGNHQM-LBPRGKRZSA-N 2 0 246.420 1.174 20 0 BDADRP CC(C)CC[C@H](O)C[NH2+]CC1([NH3+])CCC1 ZINC000923330713 644348988 /nfs/dbraw/zinc/34/89/88/644348988.db2.gz GUYGAZGBAUTOEG-NSHDSACASA-N 2 0 214.353 1.255 20 0 BDADRP Cc1ccc([C@H](O)C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000923330776 644350690 /nfs/dbraw/zinc/35/06/90/644350690.db2.gz IOCNDTFWJVXEMD-VHDGCEQUSA-N 2 0 248.370 1.698 20 0 BDADRP CCc1ncc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)o1 ZINC000923327109 644352262 /nfs/dbraw/zinc/35/22/62/644352262.db2.gz KWSZNVBCUVPHFA-UHFFFAOYSA-N 2 0 249.358 1.813 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@H](O)CCC(C)C)CC[C@@H]1[NH3+] ZINC000923346013 644365265 /nfs/dbraw/zinc/36/52/65/644365265.db2.gz SWQQHKQQXKEVMD-MCIONIFRSA-N 2 0 242.407 1.843 20 0 BDADRP CCc1ncc(C[NH+]2CCC3(CC[NH2+]C3)CC2)o1 ZINC000923358112 644368194 /nfs/dbraw/zinc/36/81/94/644368194.db2.gz CSDQKVHOHRJWCF-UHFFFAOYSA-N 2 0 249.358 1.813 20 0 BDADRP C[C@H]1CCN(CCC[NH2+]C2CC2)C[C@H]1C[NH3+] ZINC000923374799 644388264 /nfs/dbraw/zinc/38/82/64/644388264.db2.gz CHZLZVITOFQBQQ-NWDGAFQWSA-N 2 0 225.380 1.045 20 0 BDADRP CC[C@H](O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000923363140 644388721 /nfs/dbraw/zinc/38/87/21/644388721.db2.gz VIMJZSKCPQZKTR-AGIUHOORSA-N 2 0 226.364 1.079 20 0 BDADRP CC(C)CC[C@H](O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000923375870 644390109 /nfs/dbraw/zinc/39/01/09/644390109.db2.gz QUPMPCRLYCOJBJ-IHRRRGAJSA-N 2 0 242.407 1.700 20 0 BDADRP CC(C)[C@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923376435 644390805 /nfs/dbraw/zinc/39/08/05/644390805.db2.gz AWDCEWYIXCJRSI-ZSLBOAEBSA-N 2 0 240.391 1.641 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CC2(C[NH2+]C2)CO1)c1ccccc1 ZINC000923378082 644391838 /nfs/dbraw/zinc/39/18/38/644391838.db2.gz ZNDOEGSPSNGBGO-TZMCWYRMSA-N 2 0 246.354 1.716 20 0 BDADRP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923379306 644391886 /nfs/dbraw/zinc/39/18/86/644391886.db2.gz OSPRIXLVGCUBMF-TUAOUCFPSA-N 2 0 226.364 1.389 20 0 BDADRP Cc1ccc([C@@H](O)C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000923380722 644393432 /nfs/dbraw/zinc/39/34/32/644393432.db2.gz CQWCVMMTZRTYQL-KFWWJZLASA-N 2 0 248.370 1.888 20 0 BDADRP CC[C@H](O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000923383510 644396952 /nfs/dbraw/zinc/39/69/52/644396952.db2.gz IXMVXWFFETWTMW-RYUDHWBXSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000923410564 644411755 /nfs/dbraw/zinc/41/17/55/644411755.db2.gz IIMHALVLXLUJNJ-VHDGCEQUSA-N 2 0 248.370 1.117 20 0 BDADRP C(C[NH2+]C1CC1)C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000923412796 644413297 /nfs/dbraw/zinc/41/32/97/644413297.db2.gz BLABINRVKKVNNM-VXGBXAGGSA-N 2 0 240.416 1.813 20 0 BDADRP C[N@@H+]1CC[C@H]2CN(CCC[NH2+]C3CC3)CC[C@H]21 ZINC000923413886 644417425 /nfs/dbraw/zinc/41/74/25/644417425.db2.gz JNKRNKPIFSHILV-GXTWGEPZSA-N 2 0 237.391 1.155 20 0 BDADRP [NH3+][C@@H](C[C@H]1CCC[N@H+](CCO)C1)C1CCCC1 ZINC000923428714 644421341 /nfs/dbraw/zinc/42/13/41/644421341.db2.gz YVEFIIVHZLFMCJ-OCCSQVGLSA-N 2 0 240.391 1.598 20 0 BDADRP COC[C@@H](CN1CC[C@@H]2CC[NH2+][C@@H]2C1)C(C)C ZINC000923455951 644436299 /nfs/dbraw/zinc/43/62/99/644436299.db2.gz BDAHUYDVNXHTRC-BFHYXJOUSA-N 2 0 240.391 1.589 20 0 BDADRP Cc1ccc(CN2CC[NH2+]CC[NH2+]CC2)cc1C ZINC000923459190 644439288 /nfs/dbraw/zinc/43/92/88/644439288.db2.gz CWMGETAUPLIEQX-UHFFFAOYSA-N 2 0 247.386 1.298 20 0 BDADRP CCC[NH+]1CCC([NH2+]CCC(C)(C)O)CC1 ZINC000086235639 644459753 /nfs/dbraw/zinc/45/97/53/644459753.db2.gz CSLJPIMLXFNXMS-UHFFFAOYSA-N 2 0 228.380 1.611 20 0 BDADRP Cc1conc1C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923488072 644462861 /nfs/dbraw/zinc/46/28/61/644462861.db2.gz CZZLHSAKUZTYKD-KOLCDFICSA-N 2 0 223.320 1.400 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ncc(C3CC3)o2)CC[C@@H]1C[NH3+] ZINC000923495887 644463630 /nfs/dbraw/zinc/46/36/30/644463630.db2.gz DVCZSFMOBIZZGM-ZYHUDNBSSA-N 2 0 249.358 1.969 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CC[C@@H]1C[NH3+] ZINC000923488784 644465949 /nfs/dbraw/zinc/46/59/49/644465949.db2.gz GTOHKBHTADZZFM-XGFWRYKXSA-N 2 0 222.376 1.949 20 0 BDADRP C[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)CC[C@H]1C[NH3+] ZINC000923491894 644466997 /nfs/dbraw/zinc/46/69/97/644466997.db2.gz UXTXOTGPMHTBJR-OUAUKWLOSA-N 2 0 248.317 1.327 20 0 BDADRP C[C@H]1C[N@H+](CC2CC=CC2)CC[C@H]1C[NH3+] ZINC000923491772 644467312 /nfs/dbraw/zinc/46/73/12/644467312.db2.gz UDOKAQUUIFZRNE-AAEUAGOBSA-N 2 0 208.349 1.869 20 0 BDADRP C[C@@H](c1cnccn1)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923492297 644467865 /nfs/dbraw/zinc/46/78/65/644467865.db2.gz BMMOFGAZBAJHCY-GRYCIOLGSA-N 2 0 234.347 1.454 20 0 BDADRP CC(C)[NH+](CCN[C@H]1CC[NH2+]C1)C(C)C ZINC000086724411 644469164 /nfs/dbraw/zinc/46/91/64/644469164.db2.gz IRSMVGXGDXTEJR-LBPRGKRZSA-N 2 0 213.369 1.057 20 0 BDADRP Cc1ncccc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923493928 644469470 /nfs/dbraw/zinc/46/94/70/644469470.db2.gz JKESLHVMBBOWDW-AAEUAGOBSA-N 2 0 233.359 1.807 20 0 BDADRP C[C@H]1C[N@H+](CCC2CC[NH2+]CC2)CC[C@@H]1C[NH3+] ZINC000923502022 644469716 /nfs/dbraw/zinc/46/97/16/644469716.db2.gz WBJOGBJGEHZXCE-GXTWGEPZSA-N 3 0 239.407 1.293 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2C[C@]23CCOC3)CC[C@H]1C[NH3+] ZINC000923494446 644471367 /nfs/dbraw/zinc/47/13/67/644471367.db2.gz XPQYNQIEAVUEIB-RFGFWPKPSA-N 2 0 238.375 1.330 20 0 BDADRP CC(C)CC[C@@H](O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515849 644480709 /nfs/dbraw/zinc/48/07/09/644480709.db2.gz OPROINVVOLLRIH-BFHYXJOUSA-N 2 0 240.391 1.325 20 0 BDADRP c1cc(CC[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)sn1 ZINC000923515992 644480742 /nfs/dbraw/zinc/48/07/42/644480742.db2.gz PWDTXHORUBWARE-WDEREUQCSA-N 2 0 237.372 1.227 20 0 BDADRP C([C@@H]1C[C@H]2C[C@H]2C1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516192 644481173 /nfs/dbraw/zinc/48/11/73/644481173.db2.gz URTAYLKWDMWHIU-PDWCTOEPSA-N 2 0 220.360 1.574 20 0 BDADRP [NH3+]CCC[N@@H+]1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000923526394 644484750 /nfs/dbraw/zinc/48/47/50/644484750.db2.gz PKHKCPNTMNVTTO-CHWSQXEVSA-N 2 0 208.349 1.846 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCCCC[C@@H]2CO)C1 ZINC000923530110 644488503 /nfs/dbraw/zinc/48/85/03/644488503.db2.gz GERWOUJWCANHKL-YNEHKIRRSA-N 2 0 226.364 1.351 20 0 BDADRP C(C[NH2+]C1CC1)CN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923531655 644489598 /nfs/dbraw/zinc/48/95/98/644489598.db2.gz UQQDCUKGCJDASQ-CQSZACIVSA-N 2 0 237.391 1.347 20 0 BDADRP COC[C@@H]1COCC[N@@H+]1CCCCCCC[NH3+] ZINC000923557008 644501983 /nfs/dbraw/zinc/50/19/83/644501983.db2.gz IXPVYJOPMVLMPI-CYBMUJFWSA-N 2 0 244.379 1.243 20 0 BDADRP CC(C)[NH+]1CCC(N[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089147957 644535389 /nfs/dbraw/zinc/53/53/89/644535389.db2.gz SFNMPHFUIHIZRL-OCCSQVGLSA-N 2 0 239.407 1.576 20 0 BDADRP NC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089148190 644535660 /nfs/dbraw/zinc/53/56/60/644535660.db2.gz SUARHMJXPZSGCR-CHWSQXEVSA-N 2 0 247.342 1.003 20 0 BDADRP CCN1CCC([N@H+](C)CC[C@@H]2CC[NH2+]C2)CC1 ZINC000089749298 644565549 /nfs/dbraw/zinc/56/55/49/644565549.db2.gz KROIPAPPMUIBRN-ZDUSSCGKSA-N 2 0 239.407 1.402 20 0 BDADRP CC[C@@](C)(C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)OC ZINC000639312639 644595936 /nfs/dbraw/zinc/59/59/36/644595936.db2.gz LPVJIEUKFKYZHE-XQQFMLRXSA-N 2 0 228.380 1.731 20 0 BDADRP Cc1cc(N[C@@H](C)C[NH+]2CCCCC2)nc(N)[nH+]1 ZINC000091015652 644610740 /nfs/dbraw/zinc/61/07/40/644610740.db2.gz AYMCUCXZVOIFNG-NSHDSACASA-N 2 0 249.362 1.654 20 0 BDADRP C[NH+](C)CCCNC(=[NH2+])NC1CCCCCC1 ZINC000092276812 644652930 /nfs/dbraw/zinc/65/29/30/644652930.db2.gz SRELUCSNQYRONC-UHFFFAOYSA-N 2 0 240.395 1.565 20 0 BDADRP COCCC[N@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000093678207 644697873 /nfs/dbraw/zinc/69/78/73/644697873.db2.gz QXDDSHGJAMYYGV-AGUYFDCRSA-N 2 0 240.391 1.875 20 0 BDADRP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCOC1 ZINC000249965492 644745938 /nfs/dbraw/zinc/74/59/38/644745938.db2.gz FOMNXUJDLOODIA-GSPSYOTPSA-N 2 0 238.375 1.628 20 0 BDADRP C[N@H+](C[C@H]1CCCOC1)C[C@]1(C)CC[NH2+]C1 ZINC000250792572 644780614 /nfs/dbraw/zinc/78/06/14/644780614.db2.gz KBAPCZLUZXITHJ-CHWSQXEVSA-N 2 0 226.364 1.344 20 0 BDADRP C[N@H+](C[C@H]1CCCCO1)C[C@]1(C)CCC[NH2+]C1 ZINC000250797676 644780929 /nfs/dbraw/zinc/78/09/29/644780929.db2.gz MULGBWQEHZIKNE-ZIAGYGMSSA-N 2 0 240.391 1.877 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](CC[C@H]2CCCO2)C1 ZINC000251455452 644804877 /nfs/dbraw/zinc/80/48/77/644804877.db2.gz UFCQMJACQQTLNM-NWDGAFQWSA-N 2 0 212.337 1.226 20 0 BDADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCOC1 ZINC000252231422 644843575 /nfs/dbraw/zinc/84/35/75/644843575.db2.gz ZWLAAUDIYCDONZ-STQMWFEESA-N 2 0 226.364 1.629 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCC[C@H]1O ZINC000252678986 644876846 /nfs/dbraw/zinc/87/68/46/644876846.db2.gz WDZOKLLONBHSJY-RFQIPJPRSA-N 2 0 240.391 1.645 20 0 BDADRP C[C@@H]1COC[C@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000926557286 645280587 /nfs/dbraw/zinc/28/05/87/645280587.db2.gz ANTSTSLBOMLZFN-DGCLKSJQSA-N 2 0 226.364 1.485 20 0 BDADRP [NH3+]CCOc1ccc(NC[C@@H]2CC[NH2+]C2)cc1 ZINC000843365561 645282805 /nfs/dbraw/zinc/28/28/05/645282805.db2.gz FWKLAVQHAFQBNI-LLVKDONJSA-N 2 0 235.331 1.046 20 0 BDADRP FCC[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000843388571 645288648 /nfs/dbraw/zinc/28/86/48/645288648.db2.gz RZJYODKVCHNQSH-QWRGUYRKSA-N 2 0 200.301 1.277 20 0 BDADRP c1ccc([C@@H]2CC[N@@H+](C[C@H]3CC[NH2+]C3)C2)nc1 ZINC000843388773 645289842 /nfs/dbraw/zinc/28/98/42/645289842.db2.gz FJRJJQUHMWEWQK-QWHCGFSZSA-N 2 0 231.343 1.480 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)CCCCCC[NH3+] ZINC000843506385 645293916 /nfs/dbraw/zinc/29/39/16/645293916.db2.gz YXUJIAGPYZZFKJ-WDEREUQCSA-N 2 0 229.368 1.138 20 0 BDADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccnnc1 ZINC000926605892 645311180 /nfs/dbraw/zinc/31/11/80/645311180.db2.gz ZBZRQNYAGCOJKN-LMWSTFAQSA-N 2 0 248.374 2.000 20 0 BDADRP CC[C@@H]1COC[C@@H]1[NH2+]CCC[N@H+](C)CC(C)C ZINC000926645770 645331908 /nfs/dbraw/zinc/33/19/08/645331908.db2.gz RMZRVSMNGYIGKT-KGLIPLIRSA-N 2 0 242.407 1.979 20 0 BDADRP [NH3+]CC1(CC[NH2+][C@H]2CCC23CCOCC3)CC1 ZINC000844921986 645349423 /nfs/dbraw/zinc/34/94/23/645349423.db2.gz YLQJVROMGGSABH-LBPRGKRZSA-N 2 0 238.375 1.664 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1C=CCC1 ZINC000926690147 645359973 /nfs/dbraw/zinc/35/99/73/645359973.db2.gz NDFDFMFDYIDFAT-DAAZQVBGSA-N 2 0 206.333 1.635 20 0 BDADRP C/C=C\C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000926771098 645417829 /nfs/dbraw/zinc/41/78/29/645417829.db2.gz YVTCGJGKYCVXCC-BEJLUXAGSA-N 2 0 238.375 1.794 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccnc(F)c1 ZINC000926789818 645433304 /nfs/dbraw/zinc/43/33/04/645433304.db2.gz UZFMVLKVLBHZCW-ONXXMXGDSA-N 2 0 249.333 1.651 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](CO)C2)[C@H](C)C1 ZINC000927149973 645573020 /nfs/dbraw/zinc/57/30/20/645573020.db2.gz HIPINKUMHUPDSN-LPWJVIDDSA-N 2 0 226.364 1.077 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](CCc2cccs2)C1 ZINC000011891337 645652182 /nfs/dbraw/zinc/65/21/82/645652182.db2.gz ZEJNQGBUYVNVBS-SNVBAGLBSA-N 2 0 210.346 1.571 20 0 BDADRP C[NH+](C)CCCN[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000924538490 646056555 /nfs/dbraw/zinc/05/65/55/646056555.db2.gz BAECESZWQYRNFE-KGLIPLIRSA-N 2 0 239.407 1.545 20 0 BDADRP CC(C)[C@H]1COCC[C@H]1[NH2+]CCC[NH+](C)C ZINC000924537932 646057018 /nfs/dbraw/zinc/05/70/18/646057018.db2.gz CXTZVJRMBRAOPO-CHWSQXEVSA-N 2 0 228.380 1.589 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCn1cccn1 ZINC000924621176 646079493 /nfs/dbraw/zinc/07/94/93/646079493.db2.gz UKJNROFDFZQXBH-PBWFPOADSA-N 2 0 248.374 1.203 20 0 BDADRP C1CN2CCCC[C@@H]2[C@H]1[NH2+][C@H]1CN2C[C@@H]1CCC2 ZINC000924682859 646091830 /nfs/dbraw/zinc/09/18/30/646091830.db2.gz XXTQTIRXPCXCSC-ZQDZILKHSA-N 2 0 249.402 1.297 20 0 BDADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2COC[C@H]2C)C1 ZINC000924959678 646143498 /nfs/dbraw/zinc/14/34/98/646143498.db2.gz LEFPRQIJNGFDGM-MGPQQGTHSA-N 2 0 240.391 1.731 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCN(C2CC2)C1 ZINC000924964852 646143896 /nfs/dbraw/zinc/14/38/96/646143896.db2.gz RECBFHHNDKZQMA-SXBYAPGRSA-N 2 0 249.402 1.153 20 0 BDADRP C[C@@H]1COC[C@@H]1[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000925085179 646180292 /nfs/dbraw/zinc/18/02/92/646180292.db2.gz FRVIMDIDKSUBTF-AGIUHOORSA-N 2 0 242.407 1.977 20 0 BDADRP CC1CC(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)C1 ZINC000929637265 646210418 /nfs/dbraw/zinc/21/04/18/646210418.db2.gz GCGHKOUDIQTZSG-OTTFEQOBSA-N 2 0 210.365 1.916 20 0 BDADRP C[NH+](C)C[C@H]1CC[N@H+](CCOC2CC2)C1 ZINC000929637433 646217256 /nfs/dbraw/zinc/21/72/56/646217256.db2.gz IHTJTLYOAQPYHI-LLVKDONJSA-N 2 0 212.337 1.049 20 0 BDADRP CCCC[N@H+](C)CCN[C@@H]1CCC[NH2+][C@@H]1C ZINC000925481210 646294557 /nfs/dbraw/zinc/29/45/57/646294557.db2.gz IEHXIZUVYYZUQG-CHWSQXEVSA-N 2 0 227.396 1.448 20 0 BDADRP C[C@@H]([NH2+][C@H]1CNCCOC1)C1CCCC1 ZINC000925488870 646299441 /nfs/dbraw/zinc/29/94/41/646299441.db2.gz MXJMXXDOZOYZHL-PWSUYJOCSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H](O)CC[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925499193 646304237 /nfs/dbraw/zinc/30/42/37/646304237.db2.gz MQUXSDZXXGRPCU-OCCSQVGLSA-N 2 0 236.359 1.827 20 0 BDADRP CCN1CCC([N@H+](C)CCOC2CC2)CC1 ZINC000929777461 646306222 /nfs/dbraw/zinc/30/62/22/646306222.db2.gz BEPGZQMCNYHIKH-UHFFFAOYSA-N 2 0 226.364 1.582 20 0 BDADRP C[C@H]1C[C@@H](N(C)C[C@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000929782945 646307196 /nfs/dbraw/zinc/30/71/96/646307196.db2.gz NIZGKKQYSUEZKD-MELADBBJSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H]([NH3+])[C@H](NC1CC[NH+](C)CC1)c1ccccc1 ZINC000925511508 646309820 /nfs/dbraw/zinc/30/98/20/646309820.db2.gz ODTZKYSYQKLJRY-DOMZBBRYSA-N 2 0 247.386 1.759 20 0 BDADRP C[C@H]([NH3+])[C@H](NC1CC[NH+](C)CC1)c1ccccc1 ZINC000925511511 646310011 /nfs/dbraw/zinc/31/00/11/646310011.db2.gz ODTZKYSYQKLJRY-WFASDCNBSA-N 2 0 247.386 1.759 20 0 BDADRP CN1CCC([NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925511552 646310774 /nfs/dbraw/zinc/31/07/74/646310774.db2.gz OYQGIPDXOOMKNM-AAEUAGOBSA-N 2 0 239.407 1.576 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2C[C@@H]([NH3+])C23CCC3)C[N@@H+]1C1CC1 ZINC000925544277 646323861 /nfs/dbraw/zinc/32/38/61/646323861.db2.gz ZBDDQGOTZYMHOB-WVWOOGAGSA-N 2 0 249.402 1.471 20 0 BDADRP COCCCC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925553088 646329121 /nfs/dbraw/zinc/32/91/21/646329121.db2.gz MUJOUHVIMIDARD-AVGNSLFASA-N 2 0 240.391 1.779 20 0 BDADRP COCCC1(C[NH2+][C@@H]2CC[NH2+]C2(C)C)CCC1 ZINC000925558998 646333332 /nfs/dbraw/zinc/33/33/32/646333332.db2.gz VHJRXLNTNOAIQE-GFCCVEGCSA-N 2 0 240.391 1.923 20 0 BDADRP C(C1CC1)[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925557813 646333684 /nfs/dbraw/zinc/33/36/84/646333684.db2.gz QPUDUVZXPWFQTE-UONOGXRCSA-N 2 0 249.402 1.345 20 0 BDADRP CC[C@H](O)CC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925560884 646335194 /nfs/dbraw/zinc/33/51/94/646335194.db2.gz OJUBEGGZPOCAND-WOPDTQHZSA-N 2 0 228.380 1.643 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925563232 646335711 /nfs/dbraw/zinc/33/57/11/646335711.db2.gz BHGURRQVCOASRR-JHJVBQTASA-N 2 0 239.407 1.576 20 0 BDADRP CCOCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925564075 646337725 /nfs/dbraw/zinc/33/77/25/646337725.db2.gz XJMODRGMZZQBLK-KBPBESRZSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@H](O)CC(C)(C)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925571771 646339931 /nfs/dbraw/zinc/33/99/31/646339931.db2.gz ITRGDXXHDYXDAR-RYUDHWBXSA-N 2 0 240.391 1.658 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925609171 646356950 /nfs/dbraw/zinc/35/69/50/646356950.db2.gz PTPMCJHUUQZPAS-GVXVVHGQSA-N 2 0 228.380 1.643 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CC2(O)CCC2)C1 ZINC000925610034 646360589 /nfs/dbraw/zinc/36/05/89/646360589.db2.gz YPFVWLZXJQACKJ-QWRGUYRKSA-N 2 0 226.364 1.397 20 0 BDADRP CC1(C)C[C@@H]([NH2+]CCn2cccn2)C[C@@H]([NH3+])C1 ZINC000925624327 646369354 /nfs/dbraw/zinc/36/93/54/646369354.db2.gz ZNZNFZRQYOUPJM-NEPJUHHUSA-N 2 0 236.363 1.379 20 0 BDADRP CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925623136 646370575 /nfs/dbraw/zinc/37/05/75/646370575.db2.gz OZAJMSRBSQZHKT-YNEHKIRRSA-N 2 0 240.391 1.658 20 0 BDADRP CO[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925636802 646379695 /nfs/dbraw/zinc/37/96/95/646379695.db2.gz UUIZMGLSHSYOMH-QJPTWQEYSA-N 2 0 226.364 1.532 20 0 BDADRP CC1(C)C[C@@H]([NH2+][C@H]2CCCC[C@@H]2O)C[C@@H]([NH3+])C1 ZINC000925646306 646387214 /nfs/dbraw/zinc/38/72/14/646387214.db2.gz SJHZHQJSRXHLQZ-VOAKCMCISA-N 2 0 240.391 1.786 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCC2CC(O)C2)C1 ZINC000925651561 646391250 /nfs/dbraw/zinc/39/12/50/646391250.db2.gz GEGLOHWWTFTMGP-ZFQMDJOTSA-N 2 0 240.391 1.643 20 0 BDADRP COCC(C)(C)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925671958 646402002 /nfs/dbraw/zinc/40/20/02/646402002.db2.gz GKGQAJVDELEKDX-JTQLQIEISA-N 2 0 214.353 1.389 20 0 BDADRP CC[C@H]([NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)C(=O)NC ZINC000925686859 646412849 /nfs/dbraw/zinc/41/28/49/646412849.db2.gz YRMQCLRMMOUQRV-DCAQKATOSA-N 2 0 241.379 1.007 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1NCC[N@@H+]1CCCC1(C)C ZINC000925686699 646412863 /nfs/dbraw/zinc/41/28/63/646412863.db2.gz XRKQTUCGAPEUCV-STQMWFEESA-N 2 0 239.407 1.591 20 0 BDADRP [NH3+]C1(CN[C@@H]2CC[NH2+]C23CCC3)CCCCC1 ZINC000925688739 646414380 /nfs/dbraw/zinc/41/43/80/646414380.db2.gz DUCGAIPZLHQCGJ-GFCCVEGCSA-N 2 0 237.391 1.522 20 0 BDADRP OC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925688797 646415400 /nfs/dbraw/zinc/41/54/00/646415400.db2.gz FTEVQHAOZOWVQU-JHJVBQTASA-N 2 0 238.375 1.412 20 0 BDADRP C1CCC2(C1)[NH2+]CC[C@@H]2NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925693953 646419597 /nfs/dbraw/zinc/41/95/97/646419597.db2.gz SWHSCNRPAJGMFS-PIGZVRMJSA-N 2 0 249.402 1.534 20 0 BDADRP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)[C@@H](C)O ZINC000925694073 646420716 /nfs/dbraw/zinc/42/07/16/646420716.db2.gz SSKFBZXPLPUYCB-KKOKHZNYSA-N 2 0 228.380 1.641 20 0 BDADRP CC(C)C[C@@H](C[NH3+])N[C@H]1CC[NH2+]C12CCC2 ZINC000925696257 646421397 /nfs/dbraw/zinc/42/13/97/646421397.db2.gz YNQKPVZAVDCXRL-RYUDHWBXSA-N 2 0 225.380 1.234 20 0 BDADRP C[NH2+][C@H](C)CN[C@@H](CCC[NH3+])c1ccccc1 ZINC000925701314 646424860 /nfs/dbraw/zinc/42/48/60/646424860.db2.gz XKBIQYXKOFVQFH-OCCSQVGLSA-N 2 0 235.375 1.664 20 0 BDADRP C1CCC2(C1)[NH2+]CC[C@@H]2N[C@@H]1CCC[NH2+]CC1 ZINC000925700716 646424958 /nfs/dbraw/zinc/42/49/58/646424958.db2.gz RSWCFEICLFGPOX-OLZOCXBDSA-N 2 0 237.391 1.393 20 0 BDADRP C[C@@H](C[NH3+])N[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925701292 646425276 /nfs/dbraw/zinc/42/52/76/646425276.db2.gz WZMHMTMOULVQSJ-UHTWSYAYSA-N 2 0 225.380 1.092 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000925703079 646426608 /nfs/dbraw/zinc/42/66/08/646426608.db2.gz BWWAUGHWMZCORG-FVCCEPFGSA-N 2 0 226.364 1.519 20 0 BDADRP C[NH2+]Cc1ccccc1CN[C@H]1CCC[NH2+][C@@H]1C ZINC000925703264 646426818 /nfs/dbraw/zinc/42/68/18/646426818.db2.gz SMUXZUTUGLKZDQ-DOMZBBRYSA-N 2 0 247.386 1.636 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H](N[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000925704110 646429497 /nfs/dbraw/zinc/42/94/97/646429497.db2.gz HWZQGBKKRQSHCG-FDYHWXHSSA-N 2 0 239.407 1.752 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CO1 ZINC000925706274 646431062 /nfs/dbraw/zinc/43/10/62/646431062.db2.gz BVYHBTCIRFJHBY-FHUSYTEZSA-N 2 0 238.375 1.530 20 0 BDADRP CC[C@H](C)CC[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2 ZINC000925708842 646431983 /nfs/dbraw/zinc/43/19/83/646431983.db2.gz SKCXHIUFYISEDK-ODXJTPSBSA-N 2 0 240.391 1.765 20 0 BDADRP C[C@H]([NH3+])[C@@H](NCC1([NH3+])CCCC1)c1ccccc1 ZINC000925710244 646434999 /nfs/dbraw/zinc/43/49/99/646434999.db2.gz JBTRBSHOGICKBB-GXTWGEPZSA-N 2 0 247.386 1.936 20 0 BDADRP Nc1cccc(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925711965 646435979 /nfs/dbraw/zinc/43/59/79/646435979.db2.gz GPGULYHWKJJBMM-STQMWFEESA-N 2 0 231.343 1.628 20 0 BDADRP C[C@@H]([NH3+])[C@H](N[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000925713985 646439349 /nfs/dbraw/zinc/43/93/49/646439349.db2.gz YWYRFVNKMFOMKA-WXHSDQCUSA-N 2 0 219.332 1.026 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@H]1CC[NH2+]C1(C)C ZINC000925718734 646442874 /nfs/dbraw/zinc/44/28/74/646442874.db2.gz ZYRKQEYAKONHEH-MNOVXSKESA-N 2 0 213.369 1.090 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1CC[NH2+]C13CCC3)[NH2+]2 ZINC000925724254 646449554 /nfs/dbraw/zinc/44/95/54/646449554.db2.gz YFLHLQRXXYUSCP-BJJPWKGXSA-N 2 0 249.402 1.390 20 0 BDADRP CC(C)(F)C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925726057 646451910 /nfs/dbraw/zinc/45/19/10/646451910.db2.gz XWOABRNDBGVJIN-DTWKUNHWSA-N 2 0 200.301 1.594 20 0 BDADRP CC(C)(F)C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925726055 646452115 /nfs/dbraw/zinc/45/21/15/646452115.db2.gz XWOABRNDBGVJIN-BDAKNGLRSA-N 2 0 200.301 1.594 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)C1CC[NH2+]CC1 ZINC000925731235 646455349 /nfs/dbraw/zinc/45/53/49/646455349.db2.gz ZLAWEUZHOQCNOO-DGCLKSJQSA-N 3 0 237.391 1.249 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CCC(C)(C)CO1 ZINC000925732554 646455672 /nfs/dbraw/zinc/45/56/72/646455672.db2.gz POUACIIJKPVTFN-SRVKXCTJSA-N 2 0 228.380 1.907 20 0 BDADRP CC[C@@H](CO)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000930147171 646459504 /nfs/dbraw/zinc/45/95/04/646459504.db2.gz ZXLKEPQDRFAIPR-AWEZNQCLSA-N 2 0 242.407 1.811 20 0 BDADRP C[C@@H]([NH2+]CCC(C)(C)[NH3+])C(C)(C)n1cncn1 ZINC000925739314 646462558 /nfs/dbraw/zinc/46/25/58/646462558.db2.gz VUQHLGKTKUGLEJ-SNVBAGLBSA-N 2 0 239.367 1.119 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[N@@H+]1CCOc2ccc(N)cc2C1 ZINC000925756739 646464791 /nfs/dbraw/zinc/46/47/91/646464791.db2.gz YIUDRPANBAHXMV-WDEREUQCSA-N 2 0 249.358 1.589 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000925785417 646465171 /nfs/dbraw/zinc/46/51/71/646465171.db2.gz NIARJEYSVDRYIJ-YVECIDJPSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C1(c2ncccn2)CCC1 ZINC000925762842 646466045 /nfs/dbraw/zinc/46/60/45/646466045.db2.gz PDNZKJYEWPRJSA-LBPRGKRZSA-N 2 0 248.374 1.963 20 0 BDADRP CCC1([NH3+])CCN([C@@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000925760402 646466508 /nfs/dbraw/zinc/46/65/08/646466508.db2.gz MJWDEHFEZYHINM-QWHCGFSZSA-N 2 0 239.407 1.578 20 0 BDADRP CC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])[C@H]1CCCOC1 ZINC000925770506 646471119 /nfs/dbraw/zinc/47/11/19/646471119.db2.gz VELGXGJWEXPZIG-RNJOBUHISA-N 2 0 228.380 1.907 20 0 BDADRP CC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])[C@H]1CCCOC1 ZINC000925770505 646471444 /nfs/dbraw/zinc/47/14/44/646471444.db2.gz VELGXGJWEXPZIG-NDBYEHHHSA-N 2 0 228.380 1.907 20 0 BDADRP CC[C@@H](CO)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000930171118 646473014 /nfs/dbraw/zinc/47/30/14/646473014.db2.gz LFWAAIKTVKBYLX-LBPRGKRZSA-N 2 0 226.364 1.318 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)C1CCSCC1 ZINC000925781570 646477412 /nfs/dbraw/zinc/47/74/12/646477412.db2.gz AVBJNZPJHVGBEJ-JFGNBEQYSA-N 2 0 228.405 1.716 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000925787815 646482645 /nfs/dbraw/zinc/48/26/45/646482645.db2.gz VCNRFMDNKDBWLA-FDRIWYBQSA-N 2 0 245.370 1.576 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCC12CCOCC2 ZINC000925787176 646482836 /nfs/dbraw/zinc/48/28/36/646482836.db2.gz WUDJVDMNQGLREA-AGIUHOORSA-N 2 0 238.375 1.391 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000925786200 646483380 /nfs/dbraw/zinc/48/33/80/646483380.db2.gz RUCBAVHXTUNRLD-DDHJBXDOSA-N 2 0 212.337 1.142 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000925792116 646485368 /nfs/dbraw/zinc/48/53/68/646485368.db2.gz SZKIRBAVYZGXSH-MROQNXINSA-N 2 0 237.391 1.057 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925795801 646486387 /nfs/dbraw/zinc/48/63/87/646486387.db2.gz QICPRYLDGITOED-UPJWGTAASA-N 3 0 237.391 1.106 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccccn1 ZINC000925800873 646486513 /nfs/dbraw/zinc/48/65/13/646486513.db2.gz ZTGGQDSGJVLSIT-JHJVBQTASA-N 2 0 233.359 1.978 20 0 BDADRP CC[C@@H]([NH2+]CCN1CCC([NH3+])CC1)C(C)C ZINC000925812822 646490131 /nfs/dbraw/zinc/49/01/31/646490131.db2.gz ZQROKONDJIOEOF-CYBMUJFWSA-N 2 0 227.396 1.434 20 0 BDADRP CCCC[C@@H](CC)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925811918 646490622 /nfs/dbraw/zinc/49/06/22/646490622.db2.gz UNKHOCTWOWJQBB-CQSZACIVSA-N 2 0 241.423 1.968 20 0 BDADRP CC[C@H]1CC[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925818226 646493291 /nfs/dbraw/zinc/49/32/91/646493291.db2.gz ZTGJNZYSABJQKD-WCQYABFASA-N 2 0 225.380 1.188 20 0 BDADRP C[C@H](CC(C)(C)C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925817401 646493932 /nfs/dbraw/zinc/49/39/32/646493932.db2.gz RITUYXYPZBSSGA-GFCCVEGCSA-N 2 0 241.423 1.824 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000925831592 646500977 /nfs/dbraw/zinc/50/09/77/646500977.db2.gz OXXPGSVITVHOHN-QNWHQSFQSA-N 2 0 236.359 1.308 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)C12CCC2 ZINC000925830629 646500987 /nfs/dbraw/zinc/50/09/87/646500987.db2.gz JTLJIVAVSHTYLE-NDKCEZKHSA-N 2 0 248.370 1.437 20 0 BDADRP Cc1cc(CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)nn1C ZINC000925831212 646501477 /nfs/dbraw/zinc/50/14/77/646501477.db2.gz CZXWXCUCDWRJTO-NWDGAFQWSA-N 2 0 236.363 1.131 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@]23CCC[C@H]2OCC3)C1 ZINC000925833472 646502791 /nfs/dbraw/zinc/50/27/91/646502791.db2.gz QQFFCZPJZQCTEL-AAVRWANBSA-N 2 0 238.375 1.805 20 0 BDADRP Cc1cc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)nn1C ZINC000925835790 646503309 /nfs/dbraw/zinc/50/33/09/646503309.db2.gz VYOXCWQUYNCRQL-ONXXMXGDSA-N 2 0 248.374 1.144 20 0 BDADRP Cc1cnc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c(C)c1 ZINC000925836199 646505052 /nfs/dbraw/zinc/50/50/52/646505052.db2.gz IUPLPTQRTVYACF-VXGBXAGGSA-N 2 0 221.348 1.914 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925841529 646507674 /nfs/dbraw/zinc/50/76/74/646507674.db2.gz PTWSLLFRUQHSEM-AAVRWANBSA-N 2 0 237.391 1.106 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000925859498 646512597 /nfs/dbraw/zinc/51/25/97/646512597.db2.gz RMQIMSYRXWIPIL-SRVKXCTJSA-N 2 0 214.353 1.125 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2[NH3+])CCS1 ZINC000925862052 646514535 /nfs/dbraw/zinc/51/45/35/646514535.db2.gz WQYPAVGBETXPRV-DBIOUOCHSA-N 2 0 214.378 1.740 20 0 BDADRP CCOCCOCC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000925875381 646525684 /nfs/dbraw/zinc/52/56/84/646525684.db2.gz SGQUOXIEFSHSKY-OLZOCXBDSA-N 2 0 244.379 1.017 20 0 BDADRP Cc1ccc(NCC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)nc1 ZINC000925877881 646527162 /nfs/dbraw/zinc/52/71/62/646527162.db2.gz NNMHKGPDOHVEHI-OLZOCXBDSA-N 2 0 248.374 1.661 20 0 BDADRP Cc1ccc(NCC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)nc1 ZINC000925877882 646527411 /nfs/dbraw/zinc/52/74/11/646527411.db2.gz NNMHKGPDOHVEHI-QWHCGFSZSA-N 2 0 248.374 1.661 20 0 BDADRP COCC[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925880417 646529316 /nfs/dbraw/zinc/52/93/16/646529316.db2.gz RFANBEQBXARBQU-MQYQWHSLSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cnccc1N ZINC000925880380 646529682 /nfs/dbraw/zinc/52/96/82/646529682.db2.gz QMECPFJTIZDKEL-AXFHLTTASA-N 2 0 234.347 1.272 20 0 BDADRP COC[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)C1CCCC1 ZINC000925883028 646530964 /nfs/dbraw/zinc/53/09/64/646530964.db2.gz RMQRFSSVAJGPGS-KWCYVHTRSA-N 2 0 240.391 1.909 20 0 BDADRP CC[C@H]1CO[C@H](C)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000891475240 711532455 /nfs/dbraw/zinc/53/24/55/711532455.db2.gz DVJUCDYPCUWVDH-OCCSQVGLSA-N 2 0 240.391 1.828 20 0 BDADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)C(C)(C)CO ZINC000926116155 646576058 /nfs/dbraw/zinc/57/60/58/646576058.db2.gz YMEVGJQOFXMHNP-GFCCVEGCSA-N 2 0 242.407 1.715 20 0 BDADRP C[C@H]([NH2+][C@H]1CCc2nc[nH]c2C1)C(C)(C)CO ZINC000926450545 646641636 /nfs/dbraw/zinc/64/16/36/646641636.db2.gz OHUBIESOULAAFN-UWVGGRQHSA-N 2 0 237.347 1.264 20 0 BDADRP C[C@@H]1[C@@H]([NH2+][C@@H]2CCc3nc[nH]c3C2)CO[C@H]1C ZINC000926451119 646642234 /nfs/dbraw/zinc/64/22/34/646642234.db2.gz WLFDJICKHGLBMK-XHSYRHOGSA-N 2 0 235.331 1.280 20 0 BDADRP CC(C)[C@@H]1COCC[C@H]1[NH2+]C[C@@H](C)C[NH+](C)C ZINC000926469210 646651761 /nfs/dbraw/zinc/65/17/61/646651761.db2.gz GODNUZQXVXDHJR-HZSPNIEDSA-N 2 0 242.407 1.835 20 0 BDADRP C[C@H](C[NH2+][C@H](C)Cc1ccccn1)C[NH+](C)C ZINC000926476262 646653610 /nfs/dbraw/zinc/65/36/10/646653610.db2.gz ZGLWVQSJUWDBGG-CHWSQXEVSA-N 2 0 235.375 1.800 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC000723712207 711535264 /nfs/dbraw/zinc/53/52/64/711535264.db2.gz OASZNFGKRUCLLH-SNVBAGLBSA-N 2 0 239.750 1.906 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cccnc2Cl)C1 ZINC000723712121 711535674 /nfs/dbraw/zinc/53/56/74/711535674.db2.gz MZDQRWNCLZQZNC-SNVBAGLBSA-N 2 0 239.750 1.906 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1CC[NH3+] ZINC000723895370 711543678 /nfs/dbraw/zinc/54/36/78/711543678.db2.gz VTTKKBTULCLIKL-JHJVBQTASA-N 2 0 240.391 1.718 20 0 BDADRP Cc1nc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)oc1C ZINC000723909920 711545043 /nfs/dbraw/zinc/54/50/43/711545043.db2.gz VPKACVWLTXXYEB-BXKDBHETSA-N 2 0 237.347 1.708 20 0 BDADRP C[C@H](CNC1=[NH+]CCCN1C)[NH+]1CCCCC1 ZINC000386571040 711586199 /nfs/dbraw/zinc/58/61/99/711586199.db2.gz LQDLGIOVESJSLL-GFCCVEGCSA-N 2 0 238.379 1.142 20 0 BDADRP CC[C@H]([NH2+]CCCCCC[NH3+])[C@H]1CCOC1 ZINC000843340880 711762385 /nfs/dbraw/zinc/76/23/85/711762385.db2.gz GJNWZIFBZHCFRM-STQMWFEESA-N 2 0 228.380 1.910 20 0 BDADRP CC[C@@H]([NH2+]CCCCCC[NH3+])[C@H]1CCOC1 ZINC000843340878 711762387 /nfs/dbraw/zinc/76/23/87/711762387.db2.gz GJNWZIFBZHCFRM-QWHCGFSZSA-N 2 0 228.380 1.910 20 0 BDADRP CC[C@@]1(C)COCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000707325254 711935146 /nfs/dbraw/zinc/93/51/46/711935146.db2.gz DVHREHSQOWQELL-TUAOUCFPSA-N 2 0 212.337 1.225 20 0 BDADRP CC[N@H+](C[C@H]1CCCO1)C[C@H]1CCCC[NH2+]C1 ZINC000700383386 711991395 /nfs/dbraw/zinc/99/13/95/711991395.db2.gz IXRPVFBVGBJIOQ-UONOGXRCSA-N 2 0 240.391 1.877 20 0 BDADRP CCO[C@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000701719437 712027929 /nfs/dbraw/zinc/02/79/29/712027929.db2.gz VCOZWMUKKQKOAE-NEPJUHHUSA-N 2 0 212.337 1.097 20 0 BDADRP COC1CC(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)C1 ZINC000703866539 712092027 /nfs/dbraw/zinc/09/20/27/712092027.db2.gz INUOLFHLWQDZTH-HIFPTAJRSA-N 2 0 226.364 1.472 20 0 BDADRP [NH3+]C1CCC([NH2+]CC[C@H]2CCSC2)CC1 ZINC000704813549 712118228 /nfs/dbraw/zinc/11/82/28/712118228.db2.gz RKBRIDROJFRBSW-UNXYVOJBSA-N 2 0 228.405 1.989 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1C[NH3+] ZINC000708079472 712181367 /nfs/dbraw/zinc/18/13/67/712181367.db2.gz FNTZBVDBVXLVLR-IJLUTSLNSA-N 2 0 226.364 1.328 20 0 BDADRP C[N@H+](CCC[NH3+])C[C@@H]1CC(C)(C)CO1 ZINC000708337146 712188646 /nfs/dbraw/zinc/18/86/46/712188646.db2.gz LCLGCHIZAADXTN-JTQLQIEISA-N 2 0 200.326 1.082 20 0 BDADRP C[C@@H]1CN(C[C@@H]2CC(C)(C)CO2)C[C@H]1[NH3+] ZINC000708341353 712189086 /nfs/dbraw/zinc/18/90/86/712189086.db2.gz RWNABHMWWQEAOI-OUAUKWLOSA-N 2 0 212.337 1.081 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C[C@@](C)(O)C[NH+](C)C)CS1 ZINC000709715488 712216889 /nfs/dbraw/zinc/21/68/89/712216889.db2.gz OSYZSKWABGRJAB-GRYCIOLGSA-N 2 0 246.420 1.173 20 0 BDADRP FCC[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000710260531 712249705 /nfs/dbraw/zinc/24/97/05/712249705.db2.gz HRSCTLDXZXYROF-GFCCVEGCSA-N 2 0 214.328 1.668 20 0 BDADRP FC[C@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000711446215 712300775 /nfs/dbraw/zinc/30/07/75/712300775.db2.gz WCXUGARCEQDYKP-NEPJUHHUSA-N 2 0 214.328 1.668 20 0 BDADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCOC1CC1 ZINC000711755116 712324840 /nfs/dbraw/zinc/32/48/40/712324840.db2.gz WRJNVZSAJSNBHQ-LLVKDONJSA-N 2 0 212.337 1.369 20 0 BDADRP CC(C)NC(=[NH2+])NCCC[NH2+]C(C)(C)C ZINC000379453226 712384739 /nfs/dbraw/zinc/38/47/39/712384739.db2.gz LPAYKHZOPGKXGA-UHFFFAOYSA-N 2 0 214.357 1.287 20 0 BDADRP CCN1CC[C@H]1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000712586524 712434829 /nfs/dbraw/zinc/43/48/29/712434829.db2.gz MIQJHDKOMJFGGD-JSGCOSHPSA-N 2 0 239.407 1.401 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000712687661 712440222 /nfs/dbraw/zinc/44/02/22/712440222.db2.gz VLLCDOMFNRAAIR-RTXFEEFZSA-N 2 0 208.349 1.703 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000712706639 712448674 /nfs/dbraw/zinc/44/86/74/712448674.db2.gz YHMDTRJKBHPPHI-YUTCNCBUSA-N 2 0 222.376 1.964 20 0 BDADRP C[C@@H]1COC[C@@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715574510 712529126 /nfs/dbraw/zinc/52/91/26/712529126.db2.gz UUBBFXTYUQSSLO-XVSSEFHLSA-N 2 0 226.364 1.484 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC=CO1 ZINC000380214216 712727233 /nfs/dbraw/zinc/72/72/33/712727233.db2.gz IXPSJYMGLPOVSU-YNEHKIRRSA-N 2 0 224.348 1.786 20 0 BDADRP C[N@H+](CCCC(C)(F)F)CCOCC[NH3+] ZINC000718631965 712773928 /nfs/dbraw/zinc/77/39/28/712773928.db2.gz HFSCVSCMWRECOZ-UHFFFAOYSA-N 2 0 224.295 1.329 20 0 BDADRP C[C@H]1CC[N@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000719755233 712822627 /nfs/dbraw/zinc/82/26/27/712822627.db2.gz KADCGFQSDDLWKU-ZDUSSCGKSA-N 2 0 240.391 1.877 20 0 BDADRP C[N@H+](CCc1ccns1)C1CCC([NH3+])CC1 ZINC000719845195 712825508 /nfs/dbraw/zinc/82/55/08/712825508.db2.gz IDBPCMCIMNLSNQ-UHFFFAOYSA-N 2 0 239.388 1.887 20 0 BDADRP CCO[C@@H]1CCC[C@H]([NH2+][C@@H](C)CN(C)C)C1 ZINC000721196327 712897231 /nfs/dbraw/zinc/89/72/31/712897231.db2.gz BFFVGIWDQRSKPT-RWMBFGLXSA-N 2 0 228.380 1.874 20 0 BDADRP Cc1cc(C[NH2+]CC2CC[NH+](C)CC2)[nH]n1 ZINC000381450117 710638326 /nfs/dbraw/zinc/63/83/26/710638326.db2.gz HDHCATHOJAAYFZ-UHFFFAOYSA-N 2 0 222.336 1.150 20 0 BDADRP C[C@@H](CCO)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000381494454 710646228 /nfs/dbraw/zinc/64/62/28/710646228.db2.gz ZQKPCTGJYKOZIA-HIFPTAJRSA-N 2 0 226.364 1.364 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2CC[C@@H](CC[NH3+])C2)C1 ZINC000721909309 710688616 /nfs/dbraw/zinc/68/86/16/710688616.db2.gz RDSLMQGQDJRYDA-UTUOFQBUSA-N 2 0 212.337 1.082 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCCN[C@@H]2C)CC1 ZINC000396577113 710907483 /nfs/dbraw/zinc/90/74/83/710907483.db2.gz CZEJCHWSRXMVQJ-TZMCWYRMSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H](CNC(=[NH2+])NC1CCCCC1)C[NH+](C)C ZINC000383770000 710915048 /nfs/dbraw/zinc/91/50/48/710915048.db2.gz GLVHAKWGHOJFBV-LLVKDONJSA-N 2 0 240.395 1.631 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)[NH3+])[C@H](C)O1 ZINC000384776165 710996512 /nfs/dbraw/zinc/99/65/12/710996512.db2.gz PRDHQRSXJNCZAI-KXUCPTDWSA-N 2 0 200.326 1.269 20 0 BDADRP C[C@@H]([N@H+](C)C[C@@H]1C[NH2+]C[C@H]1C)C1(C)CC1 ZINC000385455274 711013454 /nfs/dbraw/zinc/01/34/54/711013454.db2.gz CUVDCKYCLGTSAC-UTUOFQBUSA-N 2 0 210.365 1.962 20 0 BDADRP COc1ccncc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000386223512 711025336 /nfs/dbraw/zinc/02/53/36/711025336.db2.gz ZJDGJKIBOLAZIM-UHFFFAOYSA-N 2 0 249.358 1.522 20 0 BDADRP CN1CCC[NH+]=C1NCC[NH+]1CCCCCC1 ZINC000386601205 711033597 /nfs/dbraw/zinc/03/35/97/711033597.db2.gz UWBCKCQMSLACEV-UHFFFAOYSA-N 2 0 238.379 1.144 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000389552607 711079447 /nfs/dbraw/zinc/07/94/47/711079447.db2.gz PNYNUFLOWKQUNB-GXYBRJDSSA-N 2 0 249.402 1.057 20 0 BDADRP COC[C@@H](C)C[N@H+](C)CCCCCC[NH3+] ZINC000389665982 711084829 /nfs/dbraw/zinc/08/48/29/711084829.db2.gz NWHPSQUIJOQMDW-LBPRGKRZSA-N 2 0 216.369 1.720 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](O)c1ccsc1 ZINC000390503066 711122155 /nfs/dbraw/zinc/12/21/55/711122155.db2.gz VAWJFKOWIGSFAR-PWSUYJOCSA-N 2 0 242.388 1.889 20 0 BDADRP C[C@@H]1CC[C@H]1[NH2+]C[C@@]1(N(C)C)CCSC1 ZINC000393613020 711165411 /nfs/dbraw/zinc/16/54/11/711165411.db2.gz GMLBJBHTTNCRCB-UTUOFQBUSA-N 2 0 228.405 1.812 20 0 BDADRP Cc1cc(C)n(CC[N@@H+]2CCC[C@@H](C[NH3+])C2)n1 ZINC000395342084 711208802 /nfs/dbraw/zinc/20/88/02/711208802.db2.gz YOKCYTOXNYDYQO-ZDUSSCGKSA-N 2 0 236.363 1.171 20 0 BDADRP COC[C@@H]([NH2+]CCCCCC[NH3+])C1CC1 ZINC000398033657 711399362 /nfs/dbraw/zinc/39/93/62/711399362.db2.gz MDUMXYBNTYPPTC-GFCCVEGCSA-N 2 0 214.353 1.520 20 0 BDADRP C[C@H](CCC1CC1)[NH2+]CCN1CCC([NH3+])CC1 ZINC000398058167 711400906 /nfs/dbraw/zinc/40/09/06/711400906.db2.gz ZXSUNPOBCUKIAQ-GFCCVEGCSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@@H]1COCC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000399164750 711423416 /nfs/dbraw/zinc/42/34/16/711423416.db2.gz MUBWFZHBWSUHBE-ZDUSSCGKSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@H]1COCC[N@H+](CCCCCC[NH3+])C1 ZINC000399266951 711425525 /nfs/dbraw/zinc/42/55/25/711425525.db2.gz OIKMOBQPPNOAAZ-GFCCVEGCSA-N 2 0 214.353 1.474 20 0 BDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[C@H]1C ZINC000381479502 710643935 /nfs/dbraw/zinc/64/39/35/710643935.db2.gz SDKVPGXRMXKYCC-UPJWGTAASA-N 2 0 225.380 1.010 20 0 BDADRP C[C@H]1[NH2+]CCC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000396686231 711364110 /nfs/dbraw/zinc/36/41/10/711364110.db2.gz YHCAMVUJHRIQTE-JWURUJNWSA-N 2 0 237.391 1.342 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000397618474 711387568 /nfs/dbraw/zinc/38/75/68/711387568.db2.gz FRZUPQZBCJPZNA-CLLJXQQHSA-N 2 0 208.349 1.716 20 0 BDADRP C[C@@H]1CSC[C@@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000397798676 711391610 /nfs/dbraw/zinc/39/16/10/711391610.db2.gz KSEYQSHQICVFKJ-AAOYHXPRSA-N 2 0 238.400 1.324 20 0 BDADRP C[NH+](C)C1CCN(c2cc[nH+]c(CO)c2)CC1 ZINC000040878153 711483033 /nfs/dbraw/zinc/48/30/33/711483033.db2.gz RHHQPMBIXAFVEG-UHFFFAOYSA-N 2 0 235.331 1.104 20 0 BDADRP Cc1cn(C)nc1C[N@H+](C)CCCCCC[NH3+] ZINC000723500277 711513515 /nfs/dbraw/zinc/51/35/15/711513515.db2.gz URXKTADGNOPHOI-UHFFFAOYSA-N 2 0 238.379 1.679 20 0 BDADRP CC1(C)CC(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000723550921 711516259 /nfs/dbraw/zinc/51/62/59/711516259.db2.gz DTDVZNZKYZTULM-GXTWGEPZSA-N 2 0 222.376 1.964 20 0 BDADRP Cc1nc(C)c(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)o1 ZINC000723627743 711527599 /nfs/dbraw/zinc/52/75/99/711527599.db2.gz UASRZZQJTUYGSJ-LDYMZIIASA-N 2 0 223.320 1.461 20 0 BDADRP C([NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)C1C[NH2+]C1 ZINC000723638328 711528939 /nfs/dbraw/zinc/52/89/39/711528939.db2.gz WKOMUAIPEFOPFO-JHJVBQTASA-N 2 0 224.348 1.001 20 0 BDADRP C[NH+](C)CCC[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000723661195 711532760 /nfs/dbraw/zinc/53/27/60/711532760.db2.gz DICVXPOBOLFJQU-MELADBBJSA-N 2 0 240.391 1.733 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000723713565 711535432 /nfs/dbraw/zinc/53/54/32/711535432.db2.gz STWHVPADFXCSHJ-KBPBESRZSA-N 2 0 240.391 1.598 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC000723711735 711535579 /nfs/dbraw/zinc/53/55/79/711535579.db2.gz HTBCWPAITQNQGA-SNVBAGLBSA-N 2 0 239.750 1.906 20 0 BDADRP Cc1cc(C)nc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000723877635 711542417 /nfs/dbraw/zinc/54/24/17/711542417.db2.gz XFQXPGWXACRGEK-QWHCGFSZSA-N 2 0 233.359 1.868 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccon2)C[C@H]1CC[NH3+] ZINC000723894182 711543954 /nfs/dbraw/zinc/54/39/54/711543954.db2.gz JCCAGAWGMPKXHL-NXEZZACHSA-N 2 0 209.293 1.091 20 0 BDADRP CCC(F)(F)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723901509 711544972 /nfs/dbraw/zinc/54/49/72/711544972.db2.gz QBHJITVDIBJYGX-NXEZZACHSA-N 2 0 220.307 1.948 20 0 BDADRP CCn1ccnc1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723909586 711545093 /nfs/dbraw/zinc/54/50/93/711545093.db2.gz QQUIZJWISZUMIL-VXGBXAGGSA-N 2 0 236.363 1.320 20 0 BDADRP CC(C)OCC[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723910587 711545149 /nfs/dbraw/zinc/54/51/49/711545149.db2.gz VOUXYRYFKOXTIN-VXGBXAGGSA-N 2 0 214.353 1.328 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ncc[nH]1 ZINC000724088427 711560224 /nfs/dbraw/zinc/56/02/24/711560224.db2.gz MXSXGOBWNURDTD-GUBZILKMSA-N 2 0 208.309 1.188 20 0 BDADRP CC[C@H](C)C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000717288999 711594820 /nfs/dbraw/zinc/59/48/20/711594820.db2.gz FXYACYLDVPWPOV-UWVGGRQHSA-N 2 0 220.307 1.867 20 0 BDADRP CCC1(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000382221193 711614505 /nfs/dbraw/zinc/61/45/05/711614505.db2.gz NDTGTSVVDSHNAF-JZRPKSSGSA-N 2 0 220.360 1.763 20 0 BDADRP CC[C@@H](C)[C@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000721936138 711694608 /nfs/dbraw/zinc/69/46/08/711694608.db2.gz AABNLOCCSULNND-NEPJUHHUSA-N 2 0 227.396 1.434 20 0 BDADRP [NH3+]CCC[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccccc1 ZINC000925700945 711710536 /nfs/dbraw/zinc/71/05/36/711710536.db2.gz XQFWMKTZCICUAX-HUUCEWRRSA-N 2 0 247.386 1.794 20 0 BDADRP Cc1ccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cn1 ZINC000931442071 711713992 /nfs/dbraw/zinc/71/39/92/711713992.db2.gz TWEJLSYYFUKSIA-CABCVRRESA-N 2 0 245.370 1.774 20 0 BDADRP Cn1cc(CC[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cn1 ZINC000334252636 711714654 /nfs/dbraw/zinc/71/46/54/711714654.db2.gz LJBNCZQDJPZMDY-CQSZACIVSA-N 2 0 248.374 1.038 20 0 BDADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCc3cn[nH]c3)C2)C1 ZINC000334723210 711718641 /nfs/dbraw/zinc/71/86/41/711718641.db2.gz SIZDOQZLAAKEAA-CQSZACIVSA-N 2 0 248.374 1.370 20 0 BDADRP c1[nH]nc2c1[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)CCC2 ZINC000335018339 711719371 /nfs/dbraw/zinc/71/93/71/711719371.db2.gz FQYAERKMPQBKEO-ZYHUDNBSSA-N 2 0 234.347 1.376 20 0 BDADRP Cc1nocc1CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257667986 711724635 /nfs/dbraw/zinc/72/46/35/711724635.db2.gz HSVCADDDPGIKPT-CYBMUJFWSA-N 2 0 235.331 1.559 20 0 BDADRP CCC1([NH3+])CCN([C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000925759815 711735861 /nfs/dbraw/zinc/73/58/61/711735861.db2.gz HUWLRUDPOAWWRZ-QWHCGFSZSA-N 2 0 239.407 1.707 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@H]1CC[C@H](C2CC2)O1 ZINC000722324424 711737650 /nfs/dbraw/zinc/73/76/50/711737650.db2.gz KNQRNLYVYMCPAS-LPWJVIDDSA-N 2 0 238.375 1.659 20 0 BDADRP [NH3+]C1(C[NH2+]C[C@@H]2CC[C@H](C3CC3)O2)CCC1 ZINC000722325452 711738023 /nfs/dbraw/zinc/73/80/23/711738023.db2.gz YTBHQCUEXZSNRJ-NWDGAFQWSA-N 2 0 224.348 1.415 20 0 BDADRP CN(C)c1ccnc(C[NH2+]C2CCC([NH3+])CC2)c1 ZINC000925814237 711754933 /nfs/dbraw/zinc/75/49/33/711754933.db2.gz ZDNXLOXOKTYNMP-UHFFFAOYSA-N 2 0 248.374 1.507 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@H](C(C)(C)O)C1 ZINC000721797588 711770007 /nfs/dbraw/zinc/77/00/07/711770007.db2.gz GVVCQBNBCMUTTN-STQMWFEESA-N 2 0 240.391 1.564 20 0 BDADRP CCN1CCC[C@H]1C[NH2+]CC1CC[NH+](C)CC1 ZINC000054239959 711782571 /nfs/dbraw/zinc/78/25/71/711782571.db2.gz AMJNXJINYFVXOT-AWEZNQCLSA-N 2 0 239.407 1.402 20 0 BDADRP C[NH+]1CCC(C[NH2+]C[C@H]2CCC(C)(C)O2)CC1 ZINC000160260253 711806382 /nfs/dbraw/zinc/80/63/82/711806382.db2.gz QVQDPJHCZBEIJY-CYBMUJFWSA-N 2 0 240.391 1.875 20 0 BDADRP CSC(C)(C)C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000229085124 711837549 /nfs/dbraw/zinc/83/75/49/711837549.db2.gz FCWOXVWPHBUIIZ-VHSXEESVSA-N 2 0 216.394 1.845 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@H](COC)C(C)C)CC[C@H]1[NH3+] ZINC000721913813 711918221 /nfs/dbraw/zinc/91/82/21/711918221.db2.gz QDNNNIHELPZHOJ-MGPQQGTHSA-N 2 0 242.407 1.964 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)C1 ZINC000721928815 711937751 /nfs/dbraw/zinc/93/77/51/711937751.db2.gz VQDLSSMZUJPJGR-WUHRBBMRSA-N 2 0 226.364 1.328 20 0 BDADRP C[C@H]1C[N@H+](C[C@@H]2CCCC[NH2+]C2)C[C@H]1C ZINC000700256373 711988768 /nfs/dbraw/zinc/98/87/68/711988768.db2.gz GVASDLGAKDOHGE-FRRDWIJNSA-N 2 0 210.365 1.964 20 0 BDADRP COC1(C[NH2+]CC[C@@H](C)[NH+](C)C)CCCC1 ZINC000700442189 711993786 /nfs/dbraw/zinc/99/37/86/711993786.db2.gz HKYXJNUJJMGIME-GFCCVEGCSA-N 2 0 228.380 1.875 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](CCc2cccs2)C1 ZINC000700631787 712003780 /nfs/dbraw/zinc/00/37/80/712003780.db2.gz SQPOXNMOTOAIPE-NSHDSACASA-N 2 0 224.373 1.961 20 0 BDADRP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(N)c3)C[C@]2(C)C1 ZINC000702319214 712044289 /nfs/dbraw/zinc/04/42/89/712044289.db2.gz QUZOMMKFJBOTIR-HIFRSBDPSA-N 2 0 245.370 1.652 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CC2=CCCC2)C12CCC2 ZINC000702365255 712048753 /nfs/dbraw/zinc/04/87/53/712048753.db2.gz VMTOCLJYXUNOBZ-NEPJUHHUSA-N 2 0 206.333 1.956 20 0 BDADRP COc1cccc(C[N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000703580517 712080017 /nfs/dbraw/zinc/08/00/17/712080017.db2.gz AJYSGPSWKXTWDB-BETUJISGSA-N 2 0 234.343 1.864 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](Cc2ncccc2Cl)C1 ZINC000703936980 712095286 /nfs/dbraw/zinc/09/52/86/712095286.db2.gz VFHPJUUZLQEQOW-JTQLQIEISA-N 2 0 239.750 1.906 20 0 BDADRP CN(CCC[NH2+]C1CC1)C[C@H]1CCC[N@H+](C)C1 ZINC000705135904 712122399 /nfs/dbraw/zinc/12/23/99/712122399.db2.gz ZWYUCKBWNHHGAQ-ZDUSSCGKSA-N 2 0 239.407 1.402 20 0 BDADRP Cc1ncccc1C[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000705529891 712132861 /nfs/dbraw/zinc/13/28/61/712132861.db2.gz IDGVKJPBMPKJBG-LLVKDONJSA-N 2 0 233.359 1.868 20 0 BDADRP C[C@H](F)CC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000705760929 712137243 /nfs/dbraw/zinc/13/72/43/712137243.db2.gz HRKUWOSJMJTQTF-IVZWLZJFSA-N 2 0 200.301 1.594 20 0 BDADRP C[N@H+](C[C@@H]1CC(C)(C)CO1)C1CC([NH3+])C1 ZINC000708324127 712187471 /nfs/dbraw/zinc/18/74/71/712187471.db2.gz RQPCXYCEYAKGHI-ILDUYXDCSA-N 2 0 212.337 1.223 20 0 BDADRP CC1(C)CO[C@H](C[N@@H+]2CCC[C@H](CC[NH3+])C2)C1 ZINC000708334270 712188254 /nfs/dbraw/zinc/18/82/54/712188254.db2.gz YONPXMBQMGMQHN-OLZOCXBDSA-N 2 0 240.391 1.862 20 0 BDADRP C[C@H]([NH3+])C[N@H+](C)C[C@H]1CC(C)(C)OC1(C)C ZINC000709695311 712216293 /nfs/dbraw/zinc/21/62/93/712216293.db2.gz DRPMNHPJKOARAT-WDEREUQCSA-N 2 0 228.380 1.859 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCC[C@@H]2CCO)CC1 ZINC000709409083 712221413 /nfs/dbraw/zinc/22/14/13/712221413.db2.gz ZNTZBVCBVFTPJQ-CYBMUJFWSA-N 2 0 226.364 1.175 20 0 BDADRP C(C[C@H]1CCCO1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709485358 712222715 /nfs/dbraw/zinc/22/27/15/712222715.db2.gz BDYPWTIRCHPIJB-ZGVCCVRISA-N 2 0 224.348 1.428 20 0 BDADRP C[C@@H]1CC[C@@H](C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)O1 ZINC000709789040 712226688 /nfs/dbraw/zinc/22/66/88/712226688.db2.gz GAZYNNXUQWRZSC-HZSPNIEDSA-N 2 0 238.375 1.629 20 0 BDADRP C[NH+]1CCC(C[NH2+]CCc2ccns2)CC1 ZINC000709824430 712228913 /nfs/dbraw/zinc/22/89/13/712228913.db2.gz FHYXNYKEGZKHBT-UHFFFAOYSA-N 2 0 239.388 1.617 20 0 BDADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC[C@H]1CCCCO1)C2 ZINC000709864925 712229753 /nfs/dbraw/zinc/22/97/53/712229753.db2.gz VOHMIJPUXUENHU-RFQIPJPRSA-N 2 0 238.375 1.757 20 0 BDADRP [NH3+]CC(C[NH3+])NCc1ccc(C(F)(F)F)cc1 ZINC000710060152 712243544 /nfs/dbraw/zinc/24/35/44/712243544.db2.gz AQOYIVSRQFTINO-UHFFFAOYSA-N 2 0 247.264 1.081 20 0 BDADRP c1csc([C@@H]2CC[N@@H+](C[C@H]3CC[NH2+]C3)C2)n1 ZINC000710362982 712252894 /nfs/dbraw/zinc/25/28/94/712252894.db2.gz YPSPHOSESLFLFC-WDEREUQCSA-N 2 0 237.372 1.542 20 0 BDADRP CCOC(=O)[C@@H](C)[N@H+](C)CCCCCC[NH3+] ZINC000710704685 712254929 /nfs/dbraw/zinc/25/49/29/712254929.db2.gz CTPMSSFLBWVIQA-LLVKDONJSA-N 2 0 230.352 1.389 20 0 BDADRP C[N@H+](CCCCCC[NH3+])CC(=O)NC(C)(C)C ZINC000710761934 712256717 /nfs/dbraw/zinc/25/67/17/712256717.db2.gz YMVZIBWYAUPCKX-UHFFFAOYSA-N 2 0 243.395 1.352 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)CN1CCC[C@@H](CF)C1 ZINC000711450112 712301281 /nfs/dbraw/zinc/30/12/81/712301281.db2.gz JHDJBKCOICVKPZ-QWHCGFSZSA-N 2 0 246.370 1.369 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000711465545 712302486 /nfs/dbraw/zinc/30/24/86/712302486.db2.gz BNGFEFBHZGEXEE-OLZOCXBDSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@]1(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)CC[NH2+]C1 ZINC000711562781 712310296 /nfs/dbraw/zinc/31/02/96/712310296.db2.gz UOAUMMCZEVAEOQ-TUAOUCFPSA-N 2 0 226.389 1.281 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCCCN1CCOC1CC1 ZINC000711732673 712320773 /nfs/dbraw/zinc/32/07/73/712320773.db2.gz RSGYUVQSNQDHTR-JQWIXIFHSA-N 2 0 212.337 1.367 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC000923480284 712334341 /nfs/dbraw/zinc/33/43/41/712334341.db2.gz WLGRRKUBOILWBH-GJZGRUSLSA-N 2 0 248.370 1.261 20 0 BDADRP CO[C@@H](C[N@@H+]1CC[C@@H](CC[NH3+])C1)C1CCC1 ZINC000923480295 712334539 /nfs/dbraw/zinc/33/45/39/712334539.db2.gz WPSMGCRHCKTCOV-YPMHNXCESA-N 2 0 226.364 1.472 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000712438278 712429657 /nfs/dbraw/zinc/42/96/57/712429657.db2.gz OASJFDLRVUFNBC-AVGNSLFASA-N 2 0 238.375 1.757 20 0 BDADRP C([C@H]1CCC2(CCC2)O1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000712440299 712429792 /nfs/dbraw/zinc/42/97/92/712429792.db2.gz ZYROTDPSNNIOME-RWMBFGLXSA-N 2 0 236.359 1.239 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CC[N@H+](C)C(C)(C)CC1 ZINC000712610860 712437586 /nfs/dbraw/zinc/43/75/86/712437586.db2.gz SQDQDAAMQSMBQV-CYBMUJFWSA-N 2 0 241.423 1.776 20 0 BDADRP C[N@@H+]1CCN(CC[NH2+]C(C)(C)C)CCC1(C)C ZINC000712688094 712440489 /nfs/dbraw/zinc/44/04/89/712440489.db2.gz HWTAYDBLNSLLNK-UHFFFAOYSA-N 2 0 241.423 1.791 20 0 BDADRP C=C/C=C\CC[NH+]1CCC(OCCC[NH3+])CC1 ZINC000713747190 712471172 /nfs/dbraw/zinc/47/11/72/712471172.db2.gz GMGCMPHZFUYDNO-ARJAWSKDSA-N 2 0 238.375 1.949 20 0 BDADRP C=C/C=C\CC[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000713759799 712471793 /nfs/dbraw/zinc/47/17/93/712471793.db2.gz TZBKZDHTVLDSJB-MVZIDQBPSA-N 2 0 210.321 1.168 20 0 BDADRP CC(C)(C[NH3+])C1CC[NH+](Cc2cc[nH]n2)CC1 ZINC000714402703 712485048 /nfs/dbraw/zinc/48/50/48/712485048.db2.gz FMPMLUAJDSNNSV-UHFFFAOYSA-N 2 0 236.363 1.607 20 0 BDADRP COC[C@H](C)[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714427335 712486197 /nfs/dbraw/zinc/48/61/97/712486197.db2.gz IRBKZGOATHPHPK-NSHDSACASA-N 2 0 228.380 1.718 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000714603319 712488280 /nfs/dbraw/zinc/48/82/80/712488280.db2.gz FUZMYDKCPGOVGM-LNWFEFDYSA-N 2 0 238.375 1.626 20 0 BDADRP COC[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000714444343 712489577 /nfs/dbraw/zinc/48/95/77/712489577.db2.gz UEOMFPSNMQZPPT-LSPKCERGSA-N 2 0 238.375 1.626 20 0 BDADRP C([C@@H]1CC[C@@H](C2CC2)O1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000715492785 712523537 /nfs/dbraw/zinc/52/35/37/712523537.db2.gz AJNBDOILBMXFHR-CRWXNKLISA-N 2 0 236.359 1.095 20 0 BDADRP C[N@H+](C[C@H]1CC[C@@H](C2CC2)O1)CC(C)(C)C[NH3+] ZINC000715511589 712524679 /nfs/dbraw/zinc/52/46/79/712524679.db2.gz SLRJWRRBVSBLLX-OLZOCXBDSA-N 2 0 240.391 1.861 20 0 BDADRP Cc1cc(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)nc(N)[nH+]1 ZINC000715569988 712529430 /nfs/dbraw/zinc/52/94/30/712529430.db2.gz JMFVPPFNGVIBMO-GHMZBOCLSA-N 2 0 249.362 1.652 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C ZINC000716584820 712564717 /nfs/dbraw/zinc/56/47/17/712564717.db2.gz OJMCRTVPZLBKIZ-HTOAHKCRSA-N 2 0 240.391 1.622 20 0 BDADRP CC[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000717008759 712604009 /nfs/dbraw/zinc/60/40/09/712604009.db2.gz CUQOSTOBVQNTFK-IUCAKERBSA-N 2 0 206.280 1.619 20 0 BDADRP COC[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)C1CC1 ZINC000717340351 712649640 /nfs/dbraw/zinc/64/96/40/712649640.db2.gz SBOAPIZYPIXKAA-MNOVXSKESA-N 2 0 248.317 1.246 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC2(CO)CCC2)C12CCC2 ZINC000717639670 712666024 /nfs/dbraw/zinc/66/60/24/712666024.db2.gz FECMZVATDVHOBX-GHMZBOCLSA-N 2 0 224.348 1.009 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+]C1(C2CC2)CCC1 ZINC000717818590 712681515 /nfs/dbraw/zinc/68/15/15/712681515.db2.gz ARXQIRKMTBBNNP-CYBMUJFWSA-N 2 0 240.391 1.610 20 0 BDADRP C[NH+](C)C1CCN(CC[NH2+]C2CCCC2)CC1 ZINC000037630927 712695767 /nfs/dbraw/zinc/69/57/67/712695767.db2.gz XFXXKTOATVHPIZ-UHFFFAOYSA-N 2 0 239.407 1.545 20 0 BDADRP C[NH+]1CCC(NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000037649342 712733658 /nfs/dbraw/zinc/73/36/58/712733658.db2.gz NLZDIUPJHJJLMS-GFCCVEGCSA-N 2 0 237.391 1.155 20 0 BDADRP C[C@@]1(C(F)F)C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000718010857 712736126 /nfs/dbraw/zinc/73/61/26/712736126.db2.gz KJJWEAVHZSLHQA-SCVCMEIPSA-N 2 0 248.317 1.470 20 0 BDADRP COCC(C)(C)CC[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000718741007 712779728 /nfs/dbraw/zinc/77/97/28/712779728.db2.gz OUOBIMOQKTXQHM-JTQLQIEISA-N 2 0 214.353 1.247 20 0 BDADRP COCC(C)(C)CC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000718757305 712780119 /nfs/dbraw/zinc/78/01/19/712780119.db2.gz AMWJWVIFQNIQJB-VXGBXAGGSA-N 2 0 228.380 1.779 20 0 BDADRP Cc1c[nH+]ccc1N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000719571677 712811227 /nfs/dbraw/zinc/81/12/27/712811227.db2.gz SOUKRGNLCHKUAB-CMPLNLGQSA-N 2 0 205.305 1.316 20 0 BDADRP C[C@@H]1[C@H](N[C@@H]2CC[NH+](C)[C@H](C)C2)CC[N@@H+]1C ZINC000719627770 712814859 /nfs/dbraw/zinc/81/48/59/712814859.db2.gz WQSIHZQAWRNFCZ-FDYHWXHSSA-N 2 0 225.380 1.151 20 0 BDADRP C[C@H]1[C@@H](NC2CC[NH+](C3CC3)CC2)CC[N@@H+]1C ZINC000719620757 712817448 /nfs/dbraw/zinc/81/74/48/712817448.db2.gz WYPRPAIJSMSWNY-FZMZJTMJSA-N 2 0 237.391 1.295 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1C)C1CC[NH+](C)CC1 ZINC000719643785 712819098 /nfs/dbraw/zinc/81/90/98/712819098.db2.gz FJDJDIVRVZASRP-OUCADQQQSA-N 2 0 239.407 1.399 20 0 BDADRP CCc1cc(N[C@H]2CC[N@H+](C)[C@H]2C)cc[nH+]1 ZINC000719772589 712824221 /nfs/dbraw/zinc/82/42/21/712824221.db2.gz BGGUYBUNYGGJHR-GWCFXTLKSA-N 2 0 219.332 1.570 20 0 BDADRP Cc1conc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000720380730 712836930 /nfs/dbraw/zinc/83/69/30/712836930.db2.gz SXXZVCHUPMHKOS-NSHDSACASA-N 2 0 223.320 1.544 20 0 BDADRP Cc1cc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c(C)nn1 ZINC000720588964 712855282 /nfs/dbraw/zinc/85/52/82/712855282.db2.gz ZNNPMEQZFUZUQD-ZDUSSCGKSA-N 2 0 248.374 1.654 20 0 BDADRP Cc1cc(C[N@@H+]2CCCC[C@H]2CC[NH3+])c(C)nn1 ZINC000720588182 712855583 /nfs/dbraw/zinc/85/55/83/712855583.db2.gz SDFHMRXGPJNTMK-AWEZNQCLSA-N 2 0 248.374 1.797 20 0 BDADRP C[NH2+]CCN(CCCn1ccnc1C)C(C)C ZINC000720792137 712865684 /nfs/dbraw/zinc/86/56/84/712865684.db2.gz TVABUGFCSPRTMS-UHFFFAOYSA-N 2 0 238.379 1.511 20 0 BDADRP O[C@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000720951804 712882451 /nfs/dbraw/zinc/88/24/51/712882451.db2.gz RVWNECYGUIXDCJ-DHGKCCLASA-N 2 0 238.375 1.268 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]2OC)CC1 ZINC000384006803 712893284 /nfs/dbraw/zinc/89/32/84/712893284.db2.gz PIKKJLBYVMCJOU-ZIAGYGMSSA-N 2 0 240.391 1.875 20 0 BDADRP CCCO[C@H]1CC[N@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208606171 957092646 /nfs/dbraw/zinc/09/26/46/957092646.db2.gz DHWJTZYDZJJNHZ-KGLIPLIRSA-N 2 0 240.391 1.829 20 0 BDADRP CO[C@@H]1CC[C@@H]1[N@H+](C)CCCCCC[NH3+] ZINC000724151674 958742981 /nfs/dbraw/zinc/74/29/81/958742981.db2.gz ITGZJIIIITWSOD-NWDGAFQWSA-N 2 0 214.353 1.615 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC3(CCCC3)C2)C1 ZINC000693566220 958857622 /nfs/dbraw/zinc/85/76/22/958857622.db2.gz COTGVPKDAOLQPG-TXEJJXNPSA-N 2 0 208.349 1.990 20 0 BDADRP [NH3+][C@H]1CCC[N@H+](C[C@@H]2CCCOC2)CC1 ZINC000708503753 959522958 /nfs/dbraw/zinc/52/29/58/959522958.db2.gz KUWVNMXKWFIVFK-RYUDHWBXSA-N 2 0 212.337 1.226 20 0 BDADRP [NH3+]C[C@@H]1CCCCN(Cc2cscn2)C1 ZINC000308857342 959526681 /nfs/dbraw/zinc/52/66/81/959526681.db2.gz OKIKBNILZZUVIM-JTQLQIEISA-N 2 0 225.361 1.704 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+]([C@H]1C[C@H]3C[C@H]3C1)CC2 ZINC001167955960 962801669 /nfs/dbraw/zinc/80/16/69/962801669.db2.gz ISOAFRHYMSZTPO-ITGUQSILSA-N 2 0 220.360 1.813 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)CC1=CCCOC1 ZINC000696934475 963583047 /nfs/dbraw/zinc/58/30/47/963583047.db2.gz OGSGHNCGFXMQSQ-YPMHNXCESA-N 2 0 224.348 1.120 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@H]2CCSC2=O)CC1 ZINC001168297955 964393234 /nfs/dbraw/zinc/39/32/34/964393234.db2.gz RAHHAXUZLQQIPL-ILDUYXDCSA-N 2 0 242.388 1.481 20 0 BDADRP CC[C@](C)(C[NH2+]CC[C@@H](C)[NH+](C)C)OC ZINC000697824915 964546393 /nfs/dbraw/zinc/54/63/93/964546393.db2.gz CTMGTTZKCPBFMS-VXGBXAGGSA-N 2 0 216.369 1.731 20 0 BDADRP C[C@H]1C[N@H+](C[C@H]2CCC=CO2)C[C@H]1C[NH3+] ZINC001205131411 965938753 /nfs/dbraw/zinc/93/87/53/965938753.db2.gz YCHHAZVVZVKROW-QJPTWQEYSA-N 2 0 210.321 1.206 20 0 BDADRP C/C(=C\C=C\N)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC001165278359 966025209 /nfs/dbraw/zinc/02/52/09/966025209.db2.gz FLIBQILTPHJHMV-MBEZIBHESA-N 2 0 223.364 1.684 20 0 BDADRP COC1CCC(C[NH+]2CC(C)(C[NH3+])C2)CC1 ZINC001206710926 966187751 /nfs/dbraw/zinc/18/77/51/966187751.db2.gz ATWFTOLYRWGHFH-UHFFFAOYSA-N 2 0 226.364 1.472 20 0 BDADRP [NH3+]CCCC[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001204848688 967200762 /nfs/dbraw/zinc/20/07/62/967200762.db2.gz RHTSCUBFZSWSIG-NEPJUHHUSA-N 2 0 212.337 1.226 20 0 BDADRP Nc1ccccc1C[NH+]1CCC(C[NH3+])CC1 ZINC001205053868 967307162 /nfs/dbraw/zinc/30/71/62/967307162.db2.gz RPKMGWCAEMUVJP-UHFFFAOYSA-N 2 0 219.332 1.440 20 0 BDADRP CCOC(=O)CC[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205546354 967691990 /nfs/dbraw/zinc/69/19/90/967691990.db2.gz UIAYSBPAYVKRKL-LBPRGKRZSA-N 2 0 246.326 1.093 20 0 BDADRP [NH3+]C[C@]1(F)CCC[N@H+](C[C@@H]2CCCOC2)CC1 ZINC001205538821 967678967 /nfs/dbraw/zinc/67/89/67/967678967.db2.gz PTTXDKRDKDZWKD-STQMWFEESA-N 2 0 244.354 1.566 20 0 BDADRP C[C@H]1CC[N@H+](Cc2cncs2)CC[C@@H]1C[NH3+] ZINC001205617953 967724734 /nfs/dbraw/zinc/72/47/34/967724734.db2.gz PWGXISUHVBILCN-WDEREUQCSA-N 2 0 239.388 1.950 20 0 BDADRP [NH3+]C[C@@]1(O)CCCC[N@H+](CCC(F)(F)F)C1 ZINC001205665735 967759825 /nfs/dbraw/zinc/75/98/25/967759825.db2.gz UXVZIHZCOHWTFZ-VIFPVBQESA-N 2 0 240.269 1.115 20 0 BDADRP CC1(C)NC[C@@H](C[N@@H+]2CCC[C@H](F)CC2)O1 ZINC001205922803 967875691 /nfs/dbraw/zinc/87/56/91/967875691.db2.gz AUBRPVFVRFFRFG-QWRGUYRKSA-N 2 0 230.327 1.535 20 0 BDADRP C[C@@H]1[C@H](C[NH3+])CCCN1C[C@H]1CCCC[NH2+]1 ZINC001205902579 967881012 /nfs/dbraw/zinc/88/10/12/967881012.db2.gz KRBJXOLSTQDZMU-FRRDWIJNSA-N 2 0 225.380 1.188 20 0 BDADRP CCCC[C@@H](CC)C[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205939007 967892465 /nfs/dbraw/zinc/89/24/65/967892465.db2.gz MVWNVWSJOJVTLO-JHJVBQTASA-N 2 0 228.380 1.597 20 0 BDADRP Cc1cc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(C)s1 ZINC001206519513 968350436 /nfs/dbraw/zinc/35/04/36/968350436.db2.gz MLEZFMUUISWGHU-RYUDHWBXSA-N 2 0 240.372 1.116 20 0 BDADRP Cc1c[nH]c(CN2CCCC[C@H](C[NH3+])C2)n1 ZINC001206615079 968419337 /nfs/dbraw/zinc/41/93/37/968419337.db2.gz BLBIQMUBDZYVGK-LLVKDONJSA-N 2 0 222.336 1.279 20 0 BDADRP C[NH+](C)CC(C)(C)C[N@@H+]1CCCC[C@@H](O)C1 ZINC001207275022 968706172 /nfs/dbraw/zinc/70/61/72/968706172.db2.gz INJVVAQHHDXZEQ-GFCCVEGCSA-N 2 0 228.380 1.421 20 0 BDADRP CC[N@@H+]1CCN(CC(C)(C)C[NH+](C)C)[C@H](C)C1 ZINC001207284154 968716225 /nfs/dbraw/zinc/71/62/25/968716225.db2.gz KPQROIOMGJTLNB-CYBMUJFWSA-N 2 0 241.423 1.600 20 0 BDADRP C[NH+](C)CC(C)(C)C[N@H+](C)[C@@H]1CCCOC1 ZINC001207283657 968718255 /nfs/dbraw/zinc/71/82/55/968718255.db2.gz BTJCMINIQNCMSS-GFCCVEGCSA-N 2 0 228.380 1.685 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+](C[C@@H]1CCCCO1)CC2 ZINC001207959474 968952449 /nfs/dbraw/zinc/95/24/49/968952449.db2.gz KOWQDWPDLXPLEW-ZDUSSCGKSA-N 2 0 238.375 1.583 20 0 BDADRP COC[C@H]1CC[N@@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208115287 969009355 /nfs/dbraw/zinc/00/93/55/969009355.db2.gz JIFGJFKHDUIEEG-GFCCVEGCSA-N 2 0 226.364 1.439 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)CC1 ZINC001208592226 969149233 /nfs/dbraw/zinc/14/92/33/969149233.db2.gz FFSUEQFGTFSUGV-STQMWFEESA-N 2 0 244.354 1.123 20 0 BDADRP CC(C)(C)[NH2+]C[C@@H](O)CNCCc1ccco1 ZINC001253404460 969159496 /nfs/dbraw/zinc/15/94/96/969159496.db2.gz WOCNMFVYFVDAQV-NSHDSACASA-N 2 0 240.347 1.161 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2CCC[NH+](C)C2)CC[C@@H]1O ZINC001208609153 969163698 /nfs/dbraw/zinc/16/36/98/969163698.db2.gz YPAQAQFEDLWGQK-MCIONIFRSA-N 2 0 240.391 1.421 20 0 BDADRP C[C@H]1COCC[N@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208607908 969164444 /nfs/dbraw/zinc/16/44/44/969164444.db2.gz NUXNRRMEFDHZDV-OLZOCXBDSA-N 2 0 226.364 1.297 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH+]2CC3CC(C3)C2)C1 ZINC001208616726 969171499 /nfs/dbraw/zinc/17/14/99/969171499.db2.gz LIWPDZQKQZYSQB-HIFPTAJRSA-N 2 0 208.349 1.670 20 0 BDADRP CO[C@H]1CCC[C@H]([N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC000723470239 969319545 /nfs/dbraw/zinc/31/95/45/969319545.db2.gz RNBWMODQHZIIDR-NOOOWODRSA-N 2 0 212.337 1.223 20 0 BDADRP CCN(CC[NH+](C)C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169125332 969426395 /nfs/dbraw/zinc/42/63/95/969426395.db2.gz ZHUYRKJWZBKJFD-BTTYYORXSA-N 2 0 239.407 1.495 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCOCC1)C2 ZINC001169126980 969430582 /nfs/dbraw/zinc/43/05/82/969430582.db2.gz YVAXNFYEALLHRH-ITGUQSILSA-N 2 0 224.348 1.334 20 0 BDADRP CC(=O)N1CCC([NH2+]C(C)(C)C(C)(C)[NH3+])CC1 ZINC001254419275 969618203 /nfs/dbraw/zinc/61/82/03/969618203.db2.gz USJRFVOUVMISMF-UHFFFAOYSA-N 2 0 241.379 1.103 20 0 BDADRP C[NH+]1CCC[C@H]([NH2+][C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254500154 969657522 /nfs/dbraw/zinc/65/75/22/969657522.db2.gz GMNSGMMMPOZIMN-KBPBESRZSA-N 3 0 239.407 1.545 20 0 BDADRP C[N@@H+]1CCC[C@@H](N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001254508624 969678512 /nfs/dbraw/zinc/67/85/12/969678512.db2.gz KPLYMHLQZRLPHN-XQQFMLRXSA-N 2 0 225.380 1.330 20 0 BDADRP C[C@@H]([NH3+])c1ccn([C@@H]2CCC[N@H+](C)CC2)n1 ZINC001254506010 969676648 /nfs/dbraw/zinc/67/66/48/969676648.db2.gz NLRCCNDLGTWHEM-GHMZBOCLSA-N 2 0 222.336 1.560 20 0 BDADRP CO[C@@H]1CCC[N@@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254515766 969690110 /nfs/dbraw/zinc/69/01/10/969690110.db2.gz CMVSBJUPGULHHZ-QWHCGFSZSA-N 2 0 226.364 1.582 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+][C@@]2(C)CCCOC2)CC1 ZINC001254514534 969690170 /nfs/dbraw/zinc/69/01/70/969690170.db2.gz MCBIJFVSBLLFCD-STQMWFEESA-N 2 0 226.364 1.629 20 0 BDADRP C[C@@H]1C[N@@H+]([C@@H]2CCC[NH+](C)CC2)CCC[C@H]1O ZINC001254517656 969699740 /nfs/dbraw/zinc/69/97/40/969699740.db2.gz XPYVHZUVQIRDGM-MGPQQGTHSA-N 2 0 240.391 1.564 20 0 BDADRP CCC[NH+]1CCN([C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254524449 969708413 /nfs/dbraw/zinc/70/84/13/969708413.db2.gz BWWMZTLGFJGAIU-CQSZACIVSA-N 2 0 239.407 1.498 20 0 BDADRP C[NH+](C)C[C@@H]1CCCN1[C@@H]1CCC[N@H+](C)CC1 ZINC001254523953 969711810 /nfs/dbraw/zinc/71/18/10/969711810.db2.gz SLSBYFMDAVICSL-KGLIPLIRSA-N 2 0 239.407 1.497 20 0 BDADRP C[NH+](C)CCCN(CCC[NH3+])[C@@H]1CCSC1 ZINC001255272019 970021462 /nfs/dbraw/zinc/02/14/62/970021462.db2.gz OHBHYROJTBCIPF-GFCCVEGCSA-N 2 0 245.436 1.094 20 0 BDADRP CN1CCC[C@H]([NH2+]CCCC[NH+]2CCCC2)C1 ZINC001255468031 970195293 /nfs/dbraw/zinc/19/52/93/970195293.db2.gz OFSPLBKHBORSLO-AWEZNQCLSA-N 2 0 239.407 1.546 20 0 BDADRP C[NH2+]CCN([C@H]1CCC[N@H+](C)C1)C(C)(C)C ZINC001255494232 970254240 /nfs/dbraw/zinc/25/42/40/970254240.db2.gz FHNPRIMTQGLCDS-LBPRGKRZSA-N 2 0 227.396 1.401 20 0 BDADRP CC[N@@H+]1CCN([C@H]2CCC[NH+](C)C2)C(C)(C)C1 ZINC001255494017 970254738 /nfs/dbraw/zinc/25/47/38/970254738.db2.gz JEBGKIPAOICABP-ZDUSSCGKSA-N 2 0 239.407 1.497 20 0 BDADRP CC(C)[N@H+](C)[C@@H]1CCN([C@H]2CCC[NH+](C)C2)C1 ZINC001255493454 970253625 /nfs/dbraw/zinc/25/36/25/970253625.db2.gz YCUWBORMFFELLE-KGLIPLIRSA-N 2 0 239.407 1.495 20 0 BDADRP C[NH+](C)C1CC[NH+]([C@@H]2CCOC(C)(C)C2)CC1 ZINC001255535149 970303550 /nfs/dbraw/zinc/30/35/50/970303550.db2.gz KUUMNNJWKKLPHV-CYBMUJFWSA-N 2 0 240.391 1.970 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)n1cncc1CC[NH3+] ZINC001255941820 970572311 /nfs/dbraw/zinc/57/23/11/970572311.db2.gz XOEJEUXSPMKUAF-GFCCVEGCSA-N 2 0 238.379 1.677 20 0 BDADRP CCC[C@H](CO)[NH2+][C@H](C)CC[NH+](CC)CC ZINC001255947790 970584806 /nfs/dbraw/zinc/58/48/06/970584806.db2.gz WQCYTAGQWZSYMP-CHWSQXEVSA-N 2 0 230.396 1.857 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@@H](CO)C1 ZINC001255954784 970589835 /nfs/dbraw/zinc/58/98/35/970589835.db2.gz HZIWPJQBRBHNGM-UONOGXRCSA-N 2 0 242.407 1.811 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]CCN1CCC1 ZINC001255951558 970590389 /nfs/dbraw/zinc/59/03/89/970590389.db2.gz QLYZGWSKJPSTHA-CYBMUJFWSA-N 2 0 227.396 1.402 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC001255957082 970596660 /nfs/dbraw/zinc/59/66/60/970596660.db2.gz ORXOGGABIHNRAR-YNEHKIRRSA-N 2 0 228.380 1.419 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N1CC[N@H+](C)[C@H](C)C1 ZINC001255964097 970599541 /nfs/dbraw/zinc/59/95/41/970599541.db2.gz OLDWTVVYIYFXGP-ZIAGYGMSSA-N 2 0 241.423 1.743 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[N@H+](C)[C@H]1CCOC1 ZINC001255964417 970604802 /nfs/dbraw/zinc/60/48/02/970604802.db2.gz SAZXTUJMYBUWLG-OLZOCXBDSA-N 2 0 228.380 1.828 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](CC[C@H]2CCOC2)C1 ZINC000400630449 970613350 /nfs/dbraw/zinc/61/33/50/970613350.db2.gz RKGMKALYWOSQSK-NEPJUHHUSA-N 2 0 212.337 1.084 20 0 BDADRP C[C@@H]1CN(C)CC[C@@H]1[NH2+][C@H]1CCO[C@@H](C)C1 ZINC001173171494 975066960 /nfs/dbraw/zinc/06/69/60/975066960.db2.gz XMGKHLIQBKAUEV-VOAKCMCISA-N 2 0 226.364 1.484 20 0 BDADRP CCCc1cc(C[NH3+])nn1[C@H]1CC[N@H+](CC)C1 ZINC001173361694 975334246 /nfs/dbraw/zinc/33/42/46/975334246.db2.gz VQWBYDZVSQYJFB-ZDUSSCGKSA-N 2 0 236.363 1.561 20 0 BDADRP CCN1CC[C@@H]([NH2+]CCCCCCC[NH3+])C1 ZINC001173360646 975332400 /nfs/dbraw/zinc/33/24/00/975332400.db2.gz QQYCLIMWLIRPFE-CYBMUJFWSA-N 2 0 227.396 1.579 20 0 BDADRP COC1(C[NH2+][C@@H](C)Cn2ccnc2)CCC1 ZINC001333338501 975679362 /nfs/dbraw/zinc/67/93/62/975679362.db2.gz ORVVLRMEEXNSRP-NSHDSACASA-N 2 0 223.320 1.430 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC001333595498 975878360 /nfs/dbraw/zinc/87/83/60/975878360.db2.gz GGXJZNBQBXIPEN-MXWKQRLJSA-N 2 0 214.328 1.997 20 0 BDADRP CC[NH+]1CCC(C[NH2+]C[C@H]2C[C@@H](OC)C2)CC1 ZINC000721936245 978376889 /nfs/dbraw/zinc/37/68/89/978376889.db2.gz SPZZXWRDOZDBLI-OKILXGFUSA-N 2 0 240.391 1.733 20 0 BDADRP CN(C[C@H]1CCC[N@H+](C)C1)c1cc[nH+]cc1 ZINC001337707997 978466688 /nfs/dbraw/zinc/46/66/88/978466688.db2.gz AYPGUYJXNXEVBD-LBPRGKRZSA-N 2 0 219.332 1.860 20 0 BDADRP NC[C@@]1(F)CCCC[N@H+](C[C@H]2CCCOC2)C1 ZINC001206337319 978602157 /nfs/dbraw/zinc/60/21/57/978602157.db2.gz SYGFTWYRBFFCPC-OLZOCXBDSA-N 2 0 244.354 1.566 20 0 BDADRP [NH3+]CCCC[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC001235811235 979155117 /nfs/dbraw/zinc/15/51/17/979155117.db2.gz TVBFATITAZRWFH-VIFPVBQESA-N 2 0 204.264 1.456 20 0 BDADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@H]1CCCCC[NH2+]1 ZINC001341240984 979286842 /nfs/dbraw/zinc/28/68/42/979286842.db2.gz HSVHHYLLLVNKAE-NWDGAFQWSA-N 2 0 241.379 1.008 20 0 BDADRP C([C@H]1CCCO1)[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314134 979522964 /nfs/dbraw/zinc/52/29/64/979522964.db2.gz HCMHFYLQWNQATK-FRRDWIJNSA-N 2 0 224.348 1.097 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+]CC2CC[NH+](CC)CC2)C1 ZINC001182772795 979644621 /nfs/dbraw/zinc/64/46/21/979644621.db2.gz LSOAZCLUXFUIOA-HDJSIYSDSA-N 2 0 240.391 1.875 20 0 BDADRP CC[NH2+]CCN([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236646388 979685741 /nfs/dbraw/zinc/68/57/41/979685741.db2.gz GSUMCRWGVULZTH-CQSZACIVSA-N 2 0 239.407 1.593 20 0 BDADRP [NH3+]C[C@H]1CCC(F)(F)CN1C[C@H]1CCCC[NH2+]1 ZINC001237120740 979820504 /nfs/dbraw/zinc/82/05/04/979820504.db2.gz NWMZFLCFKTXXAE-GHMZBOCLSA-N 2 0 247.333 1.187 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@H]([NH3+])CC(C)C ZINC001344345614 980374932 /nfs/dbraw/zinc/37/49/32/980374932.db2.gz YODJPGYYWSJZDV-GRYCIOLGSA-N 2 0 241.379 1.007 20 0 BDADRP [NH3+]CCCCCC(=O)NC[C@H]1CCC[NH2+]CC1 ZINC001346430993 980827789 /nfs/dbraw/zinc/82/77/89/980827789.db2.gz VKTNDBSRTBEBME-LBPRGKRZSA-N 2 0 241.379 1.011 20 0 BDADRP O[C@@H]1CCC[C@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001580884714 981701568 /nfs/dbraw/zinc/70/15/68/981701568.db2.gz NJNUVAZHPASKEC-ZLOUSURVSA-N 2 0 224.348 1.020 20 0 BDADRP C[C@H]1CC[C@H](CN)[N@H+](CC2(C)CC[NH2+]CC2)C1 ZINC001205804282 982562631 /nfs/dbraw/zinc/56/26/31/982562631.db2.gz MLZBHJANFDWGIA-QWHCGFSZSA-N 2 0 239.407 1.435 20 0 BDADRP [NH3+][C@@H]1CC[N@H+](CCC2CCCCC2)C[C@H]1O ZINC001205947013 983669798 /nfs/dbraw/zinc/66/97/98/983669798.db2.gz VEGSSBRBCGNGLR-CHWSQXEVSA-N 2 0 226.364 1.351 20 0 BDADRP CCOCC[C@@H](C)[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001172427131 974703659 /nfs/dbraw/zinc/70/36/59/974703659.db2.gz MRHIIFWNGHGHEA-MGPQQGTHSA-N 2 0 240.391 1.685 20 0 BDADRP CC(C)OCC[C@@H](C)[N@H+](C)C[C@@H](C)C[NH3+] ZINC001172442081 974802889 /nfs/dbraw/zinc/80/28/89/974802889.db2.gz RHIJNENBSCWHAU-NWDGAFQWSA-N 2 0 216.369 1.717 20 0 BDADRP CC(C)COCC[C@H](C)N1CCC[C@@H]([NH3+])C1 ZINC001172459163 974823193 /nfs/dbraw/zinc/82/31/93/974823193.db2.gz FRCUDRDADHTHKB-QWHCGFSZSA-N 2 0 228.380 1.861 20 0 BDADRP Cc1c[nH]c(C[NH+]2CCC(F)(C[NH3+])CC2)c1C ZINC001222537428 972553929 /nfs/dbraw/zinc/55/39/29/972553929.db2.gz BWCDPTIYDWHVGN-UHFFFAOYSA-N 2 0 239.338 1.894 20 0 BDADRP Cc1ccc(C[NH+]2CCC(F)(C[NH3+])CC2)nc1 ZINC001222537865 972556538 /nfs/dbraw/zinc/55/65/38/972556538.db2.gz HOTJUNDYJHAASO-UHFFFAOYSA-N 2 0 237.322 1.653 20 0 BDADRP Cc1ncc(C[NH+]2CCC(F)(C[NH3+])CC2)o1 ZINC001222548618 972559469 /nfs/dbraw/zinc/55/94/69/972559469.db2.gz UXXYHQYIEBDXJL-UHFFFAOYSA-N 2 0 227.283 1.246 20 0 BDADRP CCCC[C@@H](CC)[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246641562 973062321 /nfs/dbraw/zinc/06/23/21/973062321.db2.gz JBAFKBNWPNZEED-ZIAGYGMSSA-N 2 0 239.407 1.593 20 0 BDADRP CC[NH2+]CCCNC(=O)[C@H]([NH3+])C1CCCCC1 ZINC001328449363 973068189 /nfs/dbraw/zinc/06/81/89/973068189.db2.gz CVEJWKNIWQEOMH-GFCCVEGCSA-N 2 0 241.379 1.010 20 0 BDADRP CC[C@@H]1CC(N(C)[C@H]2CC[NH2+]C2)C[C@@H](CC)[NH2+]1 ZINC001246803035 973098586 /nfs/dbraw/zinc/09/85/86/973098586.db2.gz LZORWBSFRSNQEK-UPJWGTAASA-N 2 0 239.407 1.589 20 0 BDADRP C[C@@H]1CN(CC2(C[NH+](C)C)CCCC2)C[C@H]1[NH3+] ZINC001206053373 970818430 /nfs/dbraw/zinc/81/84/30/970818430.db2.gz SYLVLECEZOYMBU-CHWSQXEVSA-N 2 0 239.407 1.387 20 0 BDADRP CC(C)(C)[NH+]1CCC(n2cnc(C[NH3+])c2)CC1 ZINC001256554932 970859634 /nfs/dbraw/zinc/85/96/34/970859634.db2.gz PGWOSKUWAQSHPR-UHFFFAOYSA-N 2 0 236.363 1.777 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)Cc1ccco1 ZINC000234749300 973744563 /nfs/dbraw/zinc/74/45/63/973744563.db2.gz DRNXWGWIHANBNE-VXGBXAGGSA-N 2 0 240.347 1.554 20 0 BDADRP CC(C)(C)[NH+]1CCC(n2ccc(C[NH3+])n2)CC1 ZINC001256558347 970862609 /nfs/dbraw/zinc/86/26/09/970862609.db2.gz NTOHZHNMSCTCBR-UHFFFAOYSA-N 2 0 236.363 1.777 20 0 BDADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H](CO)C2CC2)CC1 ZINC001256564048 970863300 /nfs/dbraw/zinc/86/33/00/970863300.db2.gz PFGQYIRRVODBGK-ZDUSSCGKSA-N 2 0 240.391 1.610 20 0 BDADRP CC(C)(C)[NH+]1CCC(N2CC[C@H]([NH3+])C2)CC1 ZINC001256558549 970863355 /nfs/dbraw/zinc/86/33/55/970863355.db2.gz OZVFKVFKCDTILH-NSHDSACASA-N 2 0 225.380 1.282 20 0 BDADRP CC(C)[C@H](CO)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC001256557298 970863633 /nfs/dbraw/zinc/86/36/33/970863633.db2.gz LRAPHWVDXJUVMR-ZDUSSCGKSA-N 2 0 242.407 1.856 20 0 BDADRP CCCC[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256615106 970879271 /nfs/dbraw/zinc/87/92/71/970879271.db2.gz WISAZADYZWVBHD-FUDCBSFHSA-N 2 0 240.391 1.752 20 0 BDADRP CO[C@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001256621026 970887636 /nfs/dbraw/zinc/88/76/36/970887636.db2.gz IPKBERFUHPEWEF-PIGZVRMJSA-N 2 0 238.375 1.722 20 0 BDADRP CO[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)C1(C)C ZINC000234830068 973770935 /nfs/dbraw/zinc/77/09/35/973770935.db2.gz NOCCIGLQJAOPGM-CHWSQXEVSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@@H](Cc1ccncc1)[N@H+](C)CCC[NH+](C)C ZINC001256732596 970958662 /nfs/dbraw/zinc/95/86/62/970958662.db2.gz FTFIRUUPVFDYDW-ZDUSSCGKSA-N 2 0 235.375 1.896 20 0 BDADRP c1cc(N2CCC([NH2+]C[C@H]3CCO3)CC2)cc[nH+]1 ZINC001256848698 970997210 /nfs/dbraw/zinc/99/72/10/970997210.db2.gz SKIZXNHSDDAREL-CQSZACIVSA-N 2 0 247.342 1.429 20 0 BDADRP CCC[N@H+](CCC[NH3+])[C@@H]1CC[C@@H](C(=O)OC)C1 ZINC001170503117 971004494 /nfs/dbraw/zinc/00/44/94/971004494.db2.gz COHBSQHVMRFINS-VXGBXAGGSA-N 2 0 242.363 1.389 20 0 BDADRP CC(C)[NH+]1CCC(n2ccnc2C[NH3+])CC1 ZINC001257201284 971124563 /nfs/dbraw/zinc/12/45/63/971124563.db2.gz AQBKGYOCSXSELC-UHFFFAOYSA-N 2 0 222.336 1.387 20 0 BDADRP CCC(CC)[NH2+]CCC[N@H+](C)CCO ZINC001257294208 971181369 /nfs/dbraw/zinc/18/13/69/971181369.db2.gz MKASAJIVEAGGKP-UHFFFAOYSA-N 2 0 202.342 1.079 20 0 BDADRP CC1(C)[C@H]([NH2+]CCCCCCO)C[C@@H]1[NH3+] ZINC000404908995 971185303 /nfs/dbraw/zinc/18/53/03/971185303.db2.gz SZIPEEZEDRKVAY-WDEREUQCSA-N 2 0 214.353 1.255 20 0 BDADRP CCC[C@H](C)[NH2+]C[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+] ZINC001257309765 971202624 /nfs/dbraw/zinc/20/26/24/971202624.db2.gz YBDBSIDUEBYQRS-LOWDOPEQSA-N 2 0 244.379 1.489 20 0 BDADRP CC(C)[N@@H+]1CCC[C@H](OC[C@@H]2CCC[NH+]2C)C1 ZINC001224816976 973992096 /nfs/dbraw/zinc/99/20/96/973992096.db2.gz DKXCOEHBODQMLG-KBPBESRZSA-N 2 0 240.391 1.970 20 0 BDADRP CCC[C@@H](C)[NH2+]CC1CC[NH+](C2COC2)CC1 ZINC001257314393 971210102 /nfs/dbraw/zinc/21/01/02/971210102.db2.gz LIPIKZYPLKPXLT-GFCCVEGCSA-N 2 0 240.391 1.875 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CC[C@H]2CCCCO2)C12CCC2 ZINC000405237151 971213480 /nfs/dbraw/zinc/21/34/80/971213480.db2.gz UBZQZYYYJPKZFT-UPJWGTAASA-N 2 0 238.375 1.805 20 0 BDADRP COC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)C1CC1 ZINC000405223472 971213590 /nfs/dbraw/zinc/21/35/90/971213590.db2.gz NNGKFJUWCBHAAG-TUAOUCFPSA-N 2 0 224.348 1.271 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2nccs2)C12CCC2 ZINC000405228041 971215963 /nfs/dbraw/zinc/21/59/63/971215963.db2.gz FAJDQTMVFFUPGS-ZJUUUORDSA-N 2 0 237.372 1.545 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2ccco2)C12CCC2 ZINC000405259764 971219879 /nfs/dbraw/zinc/21/98/79/971219879.db2.gz IIIFNZMLTFNVLP-NWDGAFQWSA-N 2 0 220.316 1.682 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]CCCn2cccn2)C12CCC2 ZINC000405242578 971220252 /nfs/dbraw/zinc/22/02/52/971220252.db2.gz CAJJXLFLRLZWAW-NWDGAFQWSA-N 2 0 234.347 1.133 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405347698 971240170 /nfs/dbraw/zinc/24/01/70/971240170.db2.gz LWSFBCOZLRWOCJ-WRWGMCAJSA-N 2 0 224.348 1.271 20 0 BDADRP COCCCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405365153 971241694 /nfs/dbraw/zinc/24/16/94/971241694.db2.gz WDQGAAGGGGURJV-MNOVXSKESA-N 2 0 212.337 1.273 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCO2)C12CCC2 ZINC000405367918 971242317 /nfs/dbraw/zinc/24/23/17/971242317.db2.gz XKURVDCOKOXVPE-TUAOUCFPSA-N 2 0 224.348 1.415 20 0 BDADRP CC(C)(CCCO)C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405345396 971242804 /nfs/dbraw/zinc/24/28/04/971242804.db2.gz KOKBURAXADQCJV-NEPJUHHUSA-N 2 0 240.391 1.645 20 0 BDADRP CC(C)CCOCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405343697 971243667 /nfs/dbraw/zinc/24/36/67/971243667.db2.gz JPQVVFLNGSOHEP-QWHCGFSZSA-N 2 0 240.391 1.909 20 0 BDADRP CC[C@H](COC)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405368049 971243763 /nfs/dbraw/zinc/24/37/63/971243763.db2.gz XMVUSVCQPMEJKK-MXWKQRLJSA-N 2 0 212.337 1.271 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405378832 971248336 /nfs/dbraw/zinc/24/83/36/971248336.db2.gz CGSYAVGMFXXYSM-TUAOUCFPSA-N 2 0 226.364 1.397 20 0 BDADRP CCCCOCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405394000 971248709 /nfs/dbraw/zinc/24/87/09/971248709.db2.gz HRJBIIZPVRJZOA-NEPJUHHUSA-N 2 0 226.364 1.663 20 0 BDADRP CN(C)C1(C[NH2+]C2CCCC2)CC[NH+](C)CC1 ZINC001257341949 971251443 /nfs/dbraw/zinc/25/14/43/971251443.db2.gz GHHRJAQTIHPJKE-UHFFFAOYSA-N 2 0 239.407 1.545 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]C2CCOCC2)C12CCC2 ZINC000405459186 971257943 /nfs/dbraw/zinc/25/79/43/971257943.db2.gz IJKQPNSFZJWSIU-MNOVXSKESA-N 2 0 210.321 1.025 20 0 BDADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](C[NH2+]C2CCCC2)O1 ZINC001257345302 971253956 /nfs/dbraw/zinc/25/39/56/971253956.db2.gz OAIASJCNEMCIMQ-JHJVBQTASA-N 2 0 242.363 1.243 20 0 BDADRP C[N@H+]1CC=C(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000405437583 971255366 /nfs/dbraw/zinc/25/53/66/971255366.db2.gz UVYPLMFFJLMQBX-CHWSQXEVSA-N 3 0 235.375 1.108 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405457866 971260107 /nfs/dbraw/zinc/26/01/07/971260107.db2.gz ZEMRLIDQNVGDGR-SDDRHHMPSA-N 2 0 226.364 1.255 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCCOC2)C12CCC2 ZINC000405518021 971263149 /nfs/dbraw/zinc/26/31/49/971263149.db2.gz UWHFAFOSQSTVLJ-MXWKQRLJSA-N 2 0 210.321 1.025 20 0 BDADRP C[C@@H]1OC[C@@H]([NH2+]CCC[NH+]2CCCCC2)[C@@H]1C ZINC000405551408 971268607 /nfs/dbraw/zinc/26/86/07/971268607.db2.gz SFKZOHJLFBNUFO-HZSPNIEDSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CO[C@H](C)[C@@H]1C)C[NH+](C)C ZINC000405608550 971278911 /nfs/dbraw/zinc/27/89/11/971278911.db2.gz OZPODCKHLJYYQF-WRWGMCAJSA-N 2 0 214.353 1.197 20 0 BDADRP C[C@@H]1OC[C@@H]([NH2+]CC2CC[NH+](C)CC2)[C@@H]1C ZINC000405699347 971293336 /nfs/dbraw/zinc/29/33/36/971293336.db2.gz YURVJIYWXLYTNM-NTZNESFSSA-N 2 0 226.364 1.341 20 0 BDADRP CCCCCC[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405848933 971314562 /nfs/dbraw/zinc/31/45/62/971314562.db2.gz IVJWHUUGUGXKDV-CHWSQXEVSA-N 2 0 228.380 1.862 20 0 BDADRP C[NH2+][C@@H](CCCC[NH3+])c1nnc(C2CC2)o1 ZINC001217701104 971339458 /nfs/dbraw/zinc/33/94/58/971339458.db2.gz BFYVTQCKYIVDTM-VIFPVBQESA-N 2 0 224.308 1.337 20 0 BDADRP C(CCC1CC[NH2+]CC1)CO[C@@H]1CCC[NH2+]C1 ZINC001217768546 971395006 /nfs/dbraw/zinc/39/50/06/971395006.db2.gz PNRUWFMIEMWNHS-CQSZACIVSA-N 2 0 240.391 1.925 20 0 BDADRP [NH3+]Cc1cccc(CO[C@H]2CCCC[NH2+]C2)c1 ZINC001217770696 971397144 /nfs/dbraw/zinc/39/71/44/971397144.db2.gz VMAWRVINAFXIQP-AWEZNQCLSA-N 2 0 234.343 1.804 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1OC[C@H]1COC(C)(C)[NH2+]1 ZINC001217789683 971406733 /nfs/dbraw/zinc/40/67/33/971406733.db2.gz QCMCNUJRWMTNQR-WOPDTQHZSA-N 2 0 242.363 1.116 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1OCC1(C)CC[NH2+]CC1 ZINC001217789443 971408305 /nfs/dbraw/zinc/40/83/05/971408305.db2.gz QNRZYJNIYVIFEU-VXGBXAGGSA-N 2 0 226.364 1.391 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1OCc1cccc(C[NH3+])c1 ZINC001217787962 971408420 /nfs/dbraw/zinc/40/84/20/971408420.db2.gz BSPUPDDZCOSJIU-BXUZGUMPSA-N 2 0 234.343 1.660 20 0 BDADRP CC(C)(C[NH3+])CO[C@H]1CCC[C@@]12CC[NH2+]C2 ZINC001217799120 971411590 /nfs/dbraw/zinc/41/15/90/971411590.db2.gz CZMPWAFLHIHCGX-AAEUAGOBSA-N 2 0 226.364 1.520 20 0 BDADRP Cn1ccc2c1cc[nH+]c2-n1ccc(C[NH3+])c1 ZINC001158763380 971441867 /nfs/dbraw/zinc/44/18/67/971441867.db2.gz CFKUVHPZXNMRJO-UHFFFAOYSA-N 2 0 226.283 1.823 20 0 BDADRP CC(C)CC[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133051691 971443296 /nfs/dbraw/zinc/44/32/96/971443296.db2.gz LIHYICFAZTZMBS-UHFFFAOYSA-N 2 0 243.395 1.080 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1CO[C@H]1CCC[NH2+]C1 ZINC001217859179 971450922 /nfs/dbraw/zinc/45/09/22/971450922.db2.gz FAEKVJQPGMFLMT-NEPJUHHUSA-N 2 0 212.337 1.239 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](OC[C@@H]2CCC[NH2+]C2)C1 ZINC001217865237 971458963 /nfs/dbraw/zinc/45/89/63/971458963.db2.gz IZLZXTVQCCCKAB-CHWSQXEVSA-N 2 0 226.364 1.485 20 0 BDADRP [NH3+]CCSCC[NH2+][C@H]1CCCSC1 ZINC001257664195 971464241 /nfs/dbraw/zinc/46/42/41/971464241.db2.gz MCWDRCCWNDNYIU-VIFPVBQESA-N 2 0 220.407 1.164 20 0 BDADRP F[C@@H]1CC[NH2+]C[C@@H]1OCCC1CC[NH2+]CC1 ZINC001217876222 971471657 /nfs/dbraw/zinc/47/16/57/971471657.db2.gz KBDOMSAHEPONAL-NEPJUHHUSA-N 2 0 230.327 1.093 20 0 BDADRP CC1(CO[C@H]2CC[NH2+]CC2(C)C)CC[NH2+]CC1 ZINC001217879395 971475425 /nfs/dbraw/zinc/47/54/25/971475425.db2.gz SAXORMMMYKEUAA-LBPRGKRZSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@H]1CC[C@H](OCc2ccc(C[NH3+])cc2)C[NH2+]1 ZINC001217912538 971511115 /nfs/dbraw/zinc/51/11/15/971511115.db2.gz UYQXECWHOIFSIG-FZMZJTMJSA-N 2 0 234.343 1.802 20 0 BDADRP C[C@@H]1CC[C@@H](OCCC[C@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001217910950 971511522 /nfs/dbraw/zinc/51/15/22/971511522.db2.gz KODINBHPLDFZJW-MGPQQGTHSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H]1CC[C@@H](OCc2ccccc2C[NH3+])C[NH2+]1 ZINC001217910155 971512477 /nfs/dbraw/zinc/51/24/77/971512477.db2.gz OAKGQZSXUIRCDQ-SMDDNHRTSA-N 2 0 234.343 1.802 20 0 BDADRP C[C@@H]1CC[C@@H](OCC(C)(C)C[NH3+])C[NH2+]1 ZINC001217910516 971513432 /nfs/dbraw/zinc/51/34/32/971513432.db2.gz JFESKDPYKPAFQH-NXEZZACHSA-N 2 0 200.326 1.128 20 0 BDADRP C[NH+](C)CCCC[NH2+]C1CCC2(COC2)CC1 ZINC001257894366 971527525 /nfs/dbraw/zinc/52/75/25/971527525.db2.gz RBUJGIUJDXSZAY-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP FC1(F)CC[NH2+]C[C@@H]1OCCC1CC[NH2+]CC1 ZINC001217928144 971532097 /nfs/dbraw/zinc/53/20/97/971532097.db2.gz SEHPUGACHDCHIJ-NSHDSACASA-N 2 0 248.317 1.390 20 0 BDADRP C(O[C@@H]1CC[C@@H]2C[NH2+]C[C@H]12)[C@@H]1CCC[NH2+]C1 ZINC001217934976 971536666 /nfs/dbraw/zinc/53/66/66/971536666.db2.gz BPFMILIRTRMRIH-FVCCEPFGSA-N 2 0 224.348 1.001 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1OCC[C@H]1CCC[NH2+]C1 ZINC001217939092 971539603 /nfs/dbraw/zinc/53/96/03/971539603.db2.gz KQINJMUXWQXEQG-UPJWGTAASA-N 2 0 226.364 1.391 20 0 BDADRP C[NH2+][C@H]1C[C@H](Oc2ccc3c(c2C)CC[NH2+]C3)C1 ZINC001217954698 971541948 /nfs/dbraw/zinc/54/19/48/971541948.db2.gz SIECFRVSHWTCNI-JOCQHMNTSA-N 2 0 246.354 1.770 20 0 BDADRP CC(C)C[NH+]1CCC([NH2+][C@H]2C[C@H](CO)C2)CC1 ZINC001258002900 971554392 /nfs/dbraw/zinc/55/43/92/971554392.db2.gz MTMVHPDPHJXCCQ-MQMHXKEQSA-N 2 0 240.391 1.467 20 0 BDADRP C[NH2+][C@H]1C[C@@H](Oc2ccc(CC[NH3+])cc2)C1 ZINC001217956066 971545572 /nfs/dbraw/zinc/54/55/72/971545572.db2.gz HXEXGKHWONGHMU-BJHJDKERSA-N 2 0 220.316 1.317 20 0 BDADRP CC(C)C[NH+]1CCC([NH2+][C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC001258007249 971553112 /nfs/dbraw/zinc/55/31/12/971553112.db2.gz UAZFHXJVKKKFPI-WDNDVIMCSA-N 2 0 238.375 1.341 20 0 BDADRP CC(C)C[NH+]1CCC(n2ccc(C[NH3+])n2)CC1 ZINC001258002496 971554902 /nfs/dbraw/zinc/55/49/02/971554902.db2.gz NGPNXLGDZVFODG-UHFFFAOYSA-N 2 0 236.363 1.635 20 0 BDADRP c1cc(O[C@H]2CCC[NH2+]CC2)nc2c1C[NH2+]CC2 ZINC001217997277 971563722 /nfs/dbraw/zinc/56/37/22/971563722.db2.gz RRRJMOMOPFLMHW-LBPRGKRZSA-N 2 0 247.342 1.248 20 0 BDADRP C[C@@H]1C[NH2+]CCC[C@H]1Oc1ccccc1C[NH3+] ZINC001217994035 971560747 /nfs/dbraw/zinc/56/07/47/971560747.db2.gz YGSARDIGNCIXLB-DGCLKSJQSA-N 2 0 234.343 1.912 20 0 BDADRP C[C@@H]1C[NH2+]CCC[C@H]1Oc1ccc(C[NH3+])cc1 ZINC001217990120 971562764 /nfs/dbraw/zinc/56/27/64/971562764.db2.gz HGTXWKFTQMAQTG-BXUZGUMPSA-N 2 0 234.343 1.912 20 0 BDADRP [NH3+]CCc1ccc(O[C@H]2CCC[NH2+]CC2)cc1 ZINC001217995333 971562798 /nfs/dbraw/zinc/56/27/98/971562798.db2.gz NXBUSOVQSSSMBS-ZDUSSCGKSA-N 2 0 234.343 1.709 20 0 BDADRP C[C@@H](Oc1ccccc1C[NH3+])C1CC[NH2+]CC1 ZINC001218006429 971569084 /nfs/dbraw/zinc/56/90/84/971569084.db2.gz QPHKEPVCTZNDQR-LLVKDONJSA-N 2 0 234.343 1.912 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1Oc1ccc(CC[NH3+])cc1 ZINC001218028649 971576569 /nfs/dbraw/zinc/57/65/69/971576569.db2.gz WBSSHVPPUOZGFQ-DOMZBBRYSA-N 2 0 248.370 1.955 20 0 BDADRP C[C@H]1C[C@H](Oc2cccc(C[NH3+])c2)CC[NH2+]1 ZINC001218063523 971593873 /nfs/dbraw/zinc/59/38/73/971593873.db2.gz YZJQLAGWIFGHDD-GXFFZTMASA-N 2 0 220.316 1.665 20 0 BDADRP c1cc(O[C@H]2CC[C@]23CC[NH2+]C3)cc2c1C[NH2+]C2 ZINC001218114876 971599849 /nfs/dbraw/zinc/59/98/49/971599849.db2.gz DKMPZKDPWNHRHV-LSDHHAIUSA-N 2 0 244.338 1.811 20 0 BDADRP [NH3+]Cc1ccc(O[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC001218147557 971607643 /nfs/dbraw/zinc/60/76/43/971607643.db2.gz MVOMNDPLWODKFZ-VHDGCEQUSA-N 2 0 246.354 1.912 20 0 BDADRP C[C@H](Oc1cccc2c1CC[NH2+]C2)C1C[NH2+]C1 ZINC001218193674 971624484 /nfs/dbraw/zinc/62/44/84/971624484.db2.gz IPGFZVADURNRDI-JTQLQIEISA-N 2 0 232.327 1.319 20 0 BDADRP [NH3+][C@@H]1CCN(CC[C@@H]2CCCC[NH2+]2)CC[C@H]1F ZINC001206155424 974302148 /nfs/dbraw/zinc/30/21/48/974302148.db2.gz LJCCLLCNVYQCGG-YNEHKIRRSA-N 2 0 243.370 1.280 20 0 BDADRP CCCCC[NH2+]CCNC(=O)[C@H](CC)[NH+](C)C ZINC001133965828 971627947 /nfs/dbraw/zinc/62/79/47/971627947.db2.gz LNMOLAKVDQNAMT-LBPRGKRZSA-N 2 0 243.395 1.223 20 0 BDADRP [NH3+]Cc1cccc(O[C@@H]2CCC3(C[NH2+]C3)C2)c1 ZINC001218238965 971647402 /nfs/dbraw/zinc/64/74/02/971647402.db2.gz SRMDFCDKSFXDOB-CYBMUJFWSA-N 2 0 232.327 1.666 20 0 BDADRP [NH3+]CCc1ccc(O[C@@H]2CCC23C[NH2+]C3)cc1 ZINC001218241117 971648503 /nfs/dbraw/zinc/64/85/03/971648503.db2.gz QSMUSPFNGOFQAM-CYBMUJFWSA-N 2 0 232.327 1.319 20 0 BDADRP [NH3+]Cc1ccc(O[C@@H]2CCC[NH2+]C2)cc1 ZINC001218285206 971679606 /nfs/dbraw/zinc/67/96/06/971679606.db2.gz FZPMHGCPWWCYRX-GFCCVEGCSA-N 2 0 206.289 1.276 20 0 BDADRP CO[C@@H](C)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172112280 974372732 /nfs/dbraw/zinc/37/27/32/974372732.db2.gz VMNIDFGFNDVIIS-RVMXOQNASA-N 2 0 226.364 1.626 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@H]1Oc1ccc2c(c1)CC[NH2+]C2 ZINC001218412259 971782196 /nfs/dbraw/zinc/78/21/96/971782196.db2.gz BQQOHXCJUPXQSZ-IAQYHMDHSA-N 2 0 246.354 1.709 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1Oc1cccc2c1CC[NH2+]C2 ZINC001218418665 971794180 /nfs/dbraw/zinc/79/41/80/971794180.db2.gz HGMCEPUILITWPP-RISCZKNCSA-N 2 0 246.354 1.709 20 0 BDADRP [NH3+]Cc1ccccc1O[C@@H]1CC[C@@H]2C[NH2+]C[C@H]12 ZINC001218462825 971823949 /nfs/dbraw/zinc/82/39/49/971823949.db2.gz XYXUBSMYPPWVFM-MBNYWOFBSA-N 2 0 232.327 1.522 20 0 BDADRP C[NH+]1CCC(C[NH+]2CCC(F)(C[NH3+])CC2)CC1 ZINC001222527135 972540979 /nfs/dbraw/zinc/54/09/79/972540979.db2.gz JHDSAAUOFRPDJA-UHFFFAOYSA-N 3 0 243.370 1.091 20 0 BDADRP [NH3+]Cc1ccc(O[C@@H]2CC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC001218469843 971825960 /nfs/dbraw/zinc/82/59/60/971825960.db2.gz YJFYWTZNHAGPGA-IACUBPJLSA-N 2 0 232.327 1.522 20 0 BDADRP CC(C)([NH3+])C(C)(C)[NH2+][C@H]1CCCOCC1 ZINC001170793365 971834959 /nfs/dbraw/zinc/83/49/59/971834959.db2.gz ZWISZCBKJGNHJC-JTQLQIEISA-N 2 0 214.353 1.661 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+][C@H]2CCCOCC2)C1 ZINC001170792195 971832950 /nfs/dbraw/zinc/83/29/50/971832950.db2.gz INMXTXIKBVXPLP-SRVKXCTJSA-N 2 0 212.337 1.415 20 0 BDADRP C[NH+](C)CC(C)(C)CN1CCC(F)(C[NH3+])CC1 ZINC001222527673 972541695 /nfs/dbraw/zinc/54/16/95/972541695.db2.gz OWIHLVYKXFKABL-UHFFFAOYSA-N 2 0 245.386 1.337 20 0 BDADRP CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[NH+](CC)CC ZINC001135706384 971965816 /nfs/dbraw/zinc/96/58/16/971965816.db2.gz UBHJXEUASMHGRI-NWDGAFQWSA-N 2 0 243.395 1.221 20 0 BDADRP [NH3+]C1(C(=O)Nc2ccc([C@@H]3CC[NH2+]C3)cc2)CC1 ZINC001218995524 971972055 /nfs/dbraw/zinc/97/20/55/971972055.db2.gz RCKHJGNUNITPTI-LLVKDONJSA-N 2 0 245.326 1.193 20 0 BDADRP [NH3+]C[C@H]1CCCC[N@H+](Cc2cccc(O)c2)C1 ZINC000310538284 971975097 /nfs/dbraw/zinc/97/50/97/971975097.db2.gz PVZVCCARJVQSEL-CYBMUJFWSA-N 2 0 234.343 1.953 20 0 BDADRP CC[C@]([NH3+])(CO)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC001170865535 971999846 /nfs/dbraw/zinc/99/98/46/971999846.db2.gz OIMJFIUPTBSCHW-GFCCVEGCSA-N 2 0 234.303 1.341 20 0 BDADRP CC[C@@]([NH3+])(CO)Nc1cccc2c1CC[C@H]2[NH3+] ZINC001170866788 972002309 /nfs/dbraw/zinc/00/23/09/972002309.db2.gz YXGWHYKHJXRIPF-YPMHNXCESA-N 2 0 235.331 1.102 20 0 BDADRP C[C@@H]1CCC[NH2+][C@@H]1C(=O)Nc1ccc(C[NH3+])cc1 ZINC001219345350 972004735 /nfs/dbraw/zinc/00/47/35/972004735.db2.gz JMOKSHYVOILMGQ-MFKMUULPSA-N 2 0 247.342 1.472 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc(C(F)F)cn1 ZINC001170901281 972052030 /nfs/dbraw/zinc/05/20/30/972052030.db2.gz YHSKFKXXNJXCJO-MRVPVSSYSA-N 2 0 230.262 1.455 20 0 BDADRP Cc1ccnc(N[C@@H]([NH3+])CCC[NH3+])c1C ZINC001170898838 972060700 /nfs/dbraw/zinc/06/07/00/972060700.db2.gz PXXFPVJOIAGOGN-SNVBAGLBSA-N 2 0 208.309 1.134 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc2c(c1)CCOC2 ZINC001170900378 972063028 /nfs/dbraw/zinc/06/30/28/972063028.db2.gz SXSJPGCCZUUYNR-CYBMUJFWSA-N 2 0 235.331 1.195 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc2c(c1)C=CC2 ZINC001170900445 972064410 /nfs/dbraw/zinc/06/44/10/972064410.db2.gz LIKRSZBEWJFVIQ-ZDUSSCGKSA-N 2 0 217.316 1.692 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1cccc(C2COC2)c1 ZINC001170901243 972067153 /nfs/dbraw/zinc/06/71/53/972067153.db2.gz XKGVFKILRUPSIV-CYBMUJFWSA-N 2 0 235.331 1.236 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc2[nH]ccc2c1F ZINC001170902049 972075097 /nfs/dbraw/zinc/07/50/97/972075097.db2.gz AGPLGMRPJGYHBV-NSHDSACASA-N 2 0 236.294 1.743 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1cccc2c1CC[C@@H]2[NH3+] ZINC001170904324 972077374 /nfs/dbraw/zinc/07/73/74/972077374.db2.gz OCDFZKKZCQDHAG-WCQYABFASA-N 3 0 234.347 1.068 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ccnc2ncccc12 ZINC001170902125 972075852 /nfs/dbraw/zinc/07/58/52/972075852.db2.gz BFSMQCWIAUKYLE-LLVKDONJSA-N 2 0 231.303 1.065 20 0 BDADRP Cc1ccc(Cl)c(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001159779318 972107750 /nfs/dbraw/zinc/10/77/50/972107750.db2.gz FHAGJIVGYOQMBJ-VIFPVBQESA-N 2 0 228.727 1.479 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ncnc2cc(F)ccc21 ZINC001159779893 972108709 /nfs/dbraw/zinc/10/87/09/972108709.db2.gz KLORJRLRBNZNDJ-LLVKDONJSA-N 2 0 249.293 1.205 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc2cccnc2n1 ZINC001159784445 972111109 /nfs/dbraw/zinc/11/11/09/972111109.db2.gz IRIFIJGREGAPHZ-SNVBAGLBSA-N 2 0 231.303 1.065 20 0 BDADRP Cc1nnc(N[C@@H]([NH3+])CCC[NH3+])c2ccccc12 ZINC001159786902 972113704 /nfs/dbraw/zinc/11/37/04/972113704.db2.gz MWQOTPNYGMJJDR-GFCCVEGCSA-N 2 0 245.330 1.374 20 0 BDADRP C[C@H]1C[N@H+](C[C@](C)(O)c2ccccc2)C[C@H]1C[NH3+] ZINC001246016267 972115741 /nfs/dbraw/zinc/11/57/41/972115741.db2.gz JZCHYSTYLWGYGK-GUTXKFCHSA-N 2 0 248.370 1.421 20 0 BDADRP C[C@H]1CCc2nnc(N[C@H]([NH3+])CCC[NH3+])cc2C1 ZINC001159788758 972116732 /nfs/dbraw/zinc/11/67/32/972116732.db2.gz LMNLCTJBLUQOJV-CABZTGNLSA-N 2 0 249.362 1.037 20 0 BDADRP CC(C)[C@H]1C[C@@H](N[C@H]2CC[C@H](C)[NH2+]C2)CC[NH2+]1 ZINC001246075359 972129049 /nfs/dbraw/zinc/12/90/49/972129049.db2.gz FGNGWMXCSQWLBK-XDQVBPFNSA-N 2 0 239.407 1.493 20 0 BDADRP C1CC2(C[C@H]1[NH2+]C1CC[NH2+]CC1)CC[NH2+]CC2 ZINC001246081857 972137256 /nfs/dbraw/zinc/13/72/56/972137256.db2.gz UMWKKPXVLNIWFP-ZDUSSCGKSA-N 3 0 237.391 1.250 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246095381 972149346 /nfs/dbraw/zinc/14/93/46/972149346.db2.gz BLPFLHFPLATWEM-IZXDZPFWSA-N 2 0 237.391 1.105 20 0 BDADRP CC(C)(C)[C@@H]1C[C@@H](NCC2(C)C[NH2+]C2)CC[NH2+]1 ZINC001246095224 972149984 /nfs/dbraw/zinc/14/99/84/972149984.db2.gz OWLRRWBQCOKNIA-RYUDHWBXSA-N 2 0 239.407 1.352 20 0 BDADRP C[C@H]1[NH2+]CCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246106680 972170116 /nfs/dbraw/zinc/17/01/16/972170116.db2.gz DXKKBSVZILMTNH-LSGALXMHSA-N 2 0 237.391 1.247 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCO[C@@H](C)C2)C[NH2+]1 ZINC001246104168 972167193 /nfs/dbraw/zinc/16/71/93/972167193.db2.gz ZXIRGZABXZPKCP-YVECIDJPSA-N 2 0 226.364 1.532 20 0 BDADRP COC1CCC([NH2+]C[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC001246109016 972173055 /nfs/dbraw/zinc/17/30/55/972173055.db2.gz IYMWEWCCQFKMTC-MRFVTOPCSA-N 2 0 240.391 1.922 20 0 BDADRP CCOCC[C@H](C)[NH2+]C[C@@H]1CCC[NH2+][C@@H]1C ZINC001246108905 972174393 /nfs/dbraw/zinc/17/43/93/972174393.db2.gz IWLVFYLBHBOBBZ-XQQFMLRXSA-N 2 0 228.380 1.779 20 0 BDADRP CC[N@@H+]1CC[C@H](NC[C@H]2CCC[NH2+][C@H]2C)C1 ZINC001246108861 972174564 /nfs/dbraw/zinc/17/45/64/972174564.db2.gz IRIRGFBVGAHBQE-XQQFMLRXSA-N 2 0 225.380 1.058 20 0 BDADRP CC[C@@H]1CC(N[C@@H]2C[NH2+]C[C@@H]2C)C[C@@H](CC)[NH2+]1 ZINC001246117216 972179559 /nfs/dbraw/zinc/17/95/59/972179559.db2.gz PVCYMQAPFNNPQQ-FMCLSXCISA-N 2 0 239.407 1.493 20 0 BDADRP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246116623 972180081 /nfs/dbraw/zinc/18/00/81/972180081.db2.gz OIIYWIQFLYEFLD-FRRDWIJNSA-N 2 0 237.391 1.249 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC001246115566 972183270 /nfs/dbraw/zinc/18/32/70/972183270.db2.gz ZABGJUZSMHCTIR-YNEHKIRRSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1CN[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246115637 972183543 /nfs/dbraw/zinc/18/35/43/972183543.db2.gz ZIQGQQONVORYIR-AVGNSLFASA-N 2 0 239.407 1.495 20 0 BDADRP C[C@H]1C[C@H](N[C@@H]2CC[NH2+][C@H]2c2ccccc2)C[NH2+]1 ZINC001246141919 972190272 /nfs/dbraw/zinc/19/02/72/972190272.db2.gz LYEGABRSGWHOEJ-MHEUCROKSA-N 2 0 245.370 1.430 20 0 BDADRP C1CC12C[NH2+]C[C@@H]2N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246132833 972191623 /nfs/dbraw/zinc/19/16/23/972191623.db2.gz MLXAVFPRPIFULZ-LOWDOPEQSA-N 2 0 235.375 1.001 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCc2cccc(O)c2)CC[NH2+]1 ZINC001246156668 972199396 /nfs/dbraw/zinc/19/93/96/972199396.db2.gz BDYCQGXEHVQLPC-DGCLKSJQSA-N 2 0 234.343 1.665 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246184559 972209964 /nfs/dbraw/zinc/20/99/64/972209964.db2.gz MYTJGRVEPOHZBI-DIZJUWAGSA-N 2 0 249.402 1.484 20 0 BDADRP [NH3+][C@H]1C[C@@H](N[C@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246191656 972212946 /nfs/dbraw/zinc/21/29/46/972212946.db2.gz WUTBQXIPDNUWNM-RWMBFGLXSA-N 2 0 237.391 1.521 20 0 BDADRP Fc1cccc2c1C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)C2 ZINC001246198580 972215116 /nfs/dbraw/zinc/21/51/16/972215116.db2.gz QJHXVWIWNGJFFS-WCQYABFASA-N 2 0 248.345 1.882 20 0 BDADRP CCCO[C@H]1CC[N@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208606164 957087047 /nfs/dbraw/zinc/08/70/47/957087047.db2.gz DHWJTZYDZJJNHZ-KBPBESRZSA-N 2 0 240.391 1.829 20 0 BDADRP CC[NH+]1C[C@@H]2C[NH+](C[C@@H]3C[C@H]3C)C[C@H]2C1 ZINC001209428284 957455261 /nfs/dbraw/zinc/45/52/61/957455261.db2.gz RSVRKJFEQRTLNZ-YVECIDJPSA-N 2 0 208.349 1.526 20 0 BDADRP CC(C)(C)[C@H]([NH3+])CC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC001220859632 972267618 /nfs/dbraw/zinc/26/76/18/972267618.db2.gz HLOFRKCKVBVMHY-ZJUUUORDSA-N 2 0 243.395 1.240 20 0 BDADRP C[C@H]([NH3+])CC[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246307300 972271424 /nfs/dbraw/zinc/27/14/24/972271424.db2.gz WHKZPDYAFPXWRS-HSBZDZAISA-N 3 0 239.407 1.626 20 0 BDADRP C[C@H](CO)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000166820228 957570652 /nfs/dbraw/zinc/57/06/52/957570652.db2.gz RBASYYNASZDJCT-NSHDSACASA-N 2 0 226.364 1.079 20 0 BDADRP C[C@H]([NH3+])c1ccc(N[C@H]2CC[N@H+](C)C2)cn1 ZINC001167284836 957643652 /nfs/dbraw/zinc/64/36/52/957643652.db2.gz UOVQGNLJWIANAH-ONGXEEELSA-N 2 0 220.320 1.217 20 0 BDADRP CCC[C@@]1(CN[C@@H]2CC[NH2+]C(C)(C)C2)CC[NH2+]1 ZINC001246454655 972322651 /nfs/dbraw/zinc/32/26/51/972322651.db2.gz FXASTCQMGVOXER-OCCSQVGLSA-N 2 0 239.407 1.639 20 0 BDADRP CCC[C@H]([NH3+])C(=O)NC(C[NH3+])(CCC)CCC ZINC001221372637 972331277 /nfs/dbraw/zinc/33/12/77/972331277.db2.gz RBUSFNVWZFUMOG-NSHDSACASA-N 2 0 243.395 1.528 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C[C@H]2CCCC[C@H]2O)CC[NH2+]1 ZINC001246466545 972339251 /nfs/dbraw/zinc/33/92/51/972339251.db2.gz QUYNWLFFLMWFTM-UMSGYPCISA-N 2 0 226.364 1.268 20 0 BDADRP C[C@H]1CC[C@H](N(C)CCc2ccncc2)C[NH2+]1 ZINC000398981229 958472793 /nfs/dbraw/zinc/47/27/93/958472793.db2.gz DNJOOZFITFLTOS-JSGCOSHPSA-N 2 0 233.359 1.696 20 0 BDADRP C[C@@H]1CC[C@H](NCC[NH+]2CCCCC2)C[NH2+]1 ZINC000399016545 958482833 /nfs/dbraw/zinc/48/28/33/958482833.db2.gz CJQIUPFPLHVUNT-OLZOCXBDSA-N 2 0 225.380 1.202 20 0 BDADRP CC[NH+](CC)CCN[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000399032928 958492159 /nfs/dbraw/zinc/49/21/59/958492159.db2.gz MQTFQVMWRTXKJP-NWDGAFQWSA-N 2 0 213.369 1.058 20 0 BDADRP CC[C@@H](C)C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222079806 972362050 /nfs/dbraw/zinc/36/20/50/972362050.db2.gz GABRNQBAKVVXHC-GFCCVEGCSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCS1 ZINC000693587149 958892770 /nfs/dbraw/zinc/89/27/70/958892770.db2.gz YXNLOTQWIWNFQW-MXWKQRLJSA-N 2 0 214.378 1.551 20 0 BDADRP C([C@H]1CCCC[NH2+]1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222141703 972387401 /nfs/dbraw/zinc/38/74/01/972387401.db2.gz QSWMXJKYKILMBZ-ZIAGYGMSSA-N 2 0 237.391 1.204 20 0 BDADRP C[C@H]([NH3+])c1ccc(-n2cccc2C[NH3+])cc1 ZINC001167592795 958981960 /nfs/dbraw/zinc/98/19/60/958981960.db2.gz FJYITVZCUBNRRB-JTQLQIEISA-N 2 0 215.300 1.956 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)C1CCOCC1 ZINC000235212572 959071190 /nfs/dbraw/zinc/07/11/90/959071190.db2.gz WQNSDYCOKXUIRM-ZYHUDNBSSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@]1([NH3+])CC[N@@H+](C2CCC3(COC3)CC2)C1 ZINC001246529794 972416888 /nfs/dbraw/zinc/41/68/88/972416888.db2.gz LVVUQMJQDFISLV-GFCCVEGCSA-N 2 0 224.348 1.369 20 0 BDADRP CC[C@H]1COC[C@H]1[NH2+]CCCC[NH+](C)C ZINC000829420545 959292859 /nfs/dbraw/zinc/29/28/59/959292859.db2.gz NELPTFSUZIZFQK-NWDGAFQWSA-N 2 0 214.353 1.343 20 0 BDADRP CCC1(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)COC1 ZINC001222231090 972417405 /nfs/dbraw/zinc/41/74/05/972417405.db2.gz IXKARJDJLAUTND-AWEZNQCLSA-N 2 0 238.375 1.631 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCS[C@H](C)[C@H]1C ZINC000300357151 959376959 /nfs/dbraw/zinc/37/69/59/959376959.db2.gz VKHAWIJOKKCWGO-KKOKHZNYSA-N 2 0 228.405 1.668 20 0 BDADRP CC1(C)[C@H]([NH2+]CCC2SCCS2)C[C@@H]1[NH3+] ZINC000693810806 959399112 /nfs/dbraw/zinc/39/91/12/959399112.db2.gz QGJMJSNIONMYJG-DTWKUNHWSA-N 2 0 246.445 1.898 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]CCOC2CCCC2)C12CCC2 ZINC000405357504 959444264 /nfs/dbraw/zinc/44/42/64/959444264.db2.gz RUIYPIBOELIZNP-STQMWFEESA-N 2 0 238.375 1.805 20 0 BDADRP COC[C@@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000308700668 959481189 /nfs/dbraw/zinc/48/11/89/959481189.db2.gz DROJZPLHJHWKEQ-RYUDHWBXSA-N 2 0 212.337 1.097 20 0 BDADRP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CCCOC2)CCC1(F)F ZINC000708501091 959527792 /nfs/dbraw/zinc/52/77/92/959527792.db2.gz AWODCCGLOKSNFO-WDEREUQCSA-N 2 0 248.317 1.329 20 0 BDADRP C(CN1CC2(C1)CCC[NH2+]C2)C1CC[NH2+]CC1 ZINC001222335295 972436639 /nfs/dbraw/zinc/43/66/39/972436639.db2.gz DTVGHLKWNPZTOQ-UHFFFAOYSA-N 2 0 237.391 1.062 20 0 BDADRP [NH3+]CCCCCCN1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222346806 972440819 /nfs/dbraw/zinc/44/08/19/972440819.db2.gz SZETYPHNJAUDRX-CQSZACIVSA-N 2 0 239.407 1.724 20 0 BDADRP C[C@@H]1C[C@H](OCCCC2CC[NH2+]CC2)C[NH2+]1 ZINC001217789355 959602519 /nfs/dbraw/zinc/60/25/19/959602519.db2.gz NWXJHGCTBQAPLC-YPMHNXCESA-N 2 0 226.364 1.533 20 0 BDADRP C[NH+](C)CCCCO[C@H]1CCC[NH2+]C1 ZINC000708572619 959616020 /nfs/dbraw/zinc/61/60/20/959616020.db2.gz QAHFRRPTKVOHKD-NSHDSACASA-N 2 0 200.326 1.097 20 0 BDADRP C([C@H]1CCC[NH2+]1)N1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385027 972450638 /nfs/dbraw/zinc/45/06/38/972450638.db2.gz CXSWQTZQEMXQHO-ZIAGYGMSSA-N 2 0 237.391 1.347 20 0 BDADRP CC[C@@H]([NH3+])CN1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385527 972451484 /nfs/dbraw/zinc/45/14/84/972451484.db2.gz PMJSKOLNYSRAOJ-CHWSQXEVSA-N 2 0 225.380 1.332 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCC[C@@]3(CCO3)C2)CC1 ZINC001207399084 959725801 /nfs/dbraw/zinc/72/58/01/959725801.db2.gz YVZMROFQCZSJFK-CQSZACIVSA-N 2 0 238.375 1.583 20 0 BDADRP C[C@H]1C[NH2+]CC[C@@H]1OCCCC1CC[NH2+]CC1 ZINC001217916771 959752845 /nfs/dbraw/zinc/75/28/45/959752845.db2.gz LSRLTGTYVQQVKH-JSGCOSHPSA-N 2 0 240.391 1.781 20 0 BDADRP [NH3+]Cc1cccc(O[C@H]2CC[NH2+]CC[C@H]2F)c1 ZINC001218016824 959835436 /nfs/dbraw/zinc/83/54/36/959835436.db2.gz GNSJVGDYZUZUHU-OLZOCXBDSA-N 2 0 238.306 1.614 20 0 BDADRP [NH3+]C[C@H]1CCCC[N@H+](CC2CCOCC2)C1 ZINC000309332342 959849075 /nfs/dbraw/zinc/84/90/75/959849075.db2.gz JDOBOKKEZNNKTQ-CYBMUJFWSA-N 2 0 226.364 1.474 20 0 BDADRP C([C@@H]1CCCC[NH2+]1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222421563 972470107 /nfs/dbraw/zinc/47/01/07/972470107.db2.gz NBKYUDURSVXQEA-UONOGXRCSA-N 2 0 237.391 1.347 20 0 BDADRP C[C@H]1C[N@H+](Cc2c[nH]c3ncccc23)C[C@H]1C[NH3+] ZINC000708899768 960089096 /nfs/dbraw/zinc/08/90/96/960089096.db2.gz GLHUZSQNYLMQIJ-WDEREUQCSA-N 2 0 244.342 1.590 20 0 BDADRP C[N@H+](C[C@@H](O)C[NH3+])CC1CCC2(CC2)CC1 ZINC000695583010 960293334 /nfs/dbraw/zinc/29/33/34/960293334.db2.gz NBRRYHBBJUXCDG-LBPRGKRZSA-N 2 0 226.364 1.208 20 0 BDADRP CC[C@H]([NH3+])CN1CCC2(CCC[NH2+]C2)CC1 ZINC001222453354 972495323 /nfs/dbraw/zinc/49/53/23/972495323.db2.gz YKYVGVJZGFWBHH-LBPRGKRZSA-N 2 0 225.380 1.189 20 0 BDADRP C[C@H]1COCC[N@@H+]1CCC1CC[NH+](C)CC1 ZINC001207479510 960351892 /nfs/dbraw/zinc/35/18/92/960351892.db2.gz JVHDZKZDHHWJEF-LBPRGKRZSA-N 2 0 226.364 1.439 20 0 BDADRP COC[C@H]1CCC[N@@H+]1CCC1CC[NH+](C)CC1 ZINC001207479719 960355303 /nfs/dbraw/zinc/35/53/03/960355303.db2.gz LSWBZNJAVVTCEO-CQSZACIVSA-N 2 0 240.391 1.829 20 0 BDADRP CC1(CN2CC[C@@]3(CCC[NH2+]3)C2)CC[NH2+]CC1 ZINC001222465618 972498810 /nfs/dbraw/zinc/49/88/10/972498810.db2.gz WFAXUPRMDGVREZ-AWEZNQCLSA-N 3 0 237.391 1.204 20 0 BDADRP O=c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc[nH]1 ZINC000709343995 960524355 /nfs/dbraw/zinc/52/43/55/960524355.db2.gz IXMHFODZNBKIPM-FOSCPWQOSA-N 2 0 233.315 1.160 20 0 BDADRP CC(C)[NH+](CCN[C@@H]1CC[NH2+][C@@H](C)C1)C(C)C ZINC000709357186 960532032 /nfs/dbraw/zinc/53/20/32/960532032.db2.gz VCHLZCFRVHTXPS-UONOGXRCSA-N 2 0 241.423 1.835 20 0 BDADRP C[C@@H]1C[C@@H](NCC[NH+]2CCCCC2)CC[NH2+]1 ZINC000709376055 960537675 /nfs/dbraw/zinc/53/76/75/960537675.db2.gz PLXJOLCHFCRFPS-OLZOCXBDSA-N 2 0 225.380 1.202 20 0 BDADRP Cc1ccc(O)c(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)n1 ZINC000311235059 960559750 /nfs/dbraw/zinc/55/97/50/960559750.db2.gz SRVLNQSRZULABU-LBPRGKRZSA-N 2 0 249.358 1.656 20 0 BDADRP FC1(F)CC([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000709415225 960585294 /nfs/dbraw/zinc/58/52/94/960585294.db2.gz JULJUUJWCHDBAM-JVHMLUBASA-N 2 0 216.275 1.657 20 0 BDADRP CSC1CC[NH+]([C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000709449029 960615369 /nfs/dbraw/zinc/61/53/69/960615369.db2.gz NLTMKUFCDZGYFI-MNOVXSKESA-N 2 0 228.405 1.954 20 0 BDADRP C[C@H](C[NH+]1CCCC1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709490944 960620239 /nfs/dbraw/zinc/62/02/39/960620239.db2.gz KFYMYLGQAYOUPQ-HABKJSAYSA-N 2 0 237.391 1.343 20 0 BDADRP C(=C\C1CC1)\C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709487137 960620922 /nfs/dbraw/zinc/62/09/22/960620922.db2.gz AKCJFDHFRXWCMP-BLVLIDIHSA-N 2 0 206.333 1.825 20 0 BDADRP O[C@H]1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000709487957 960621046 /nfs/dbraw/zinc/62/10/46/960621046.db2.gz MPMXUXQBLZAISE-VKYHIEHISA-N 2 0 224.348 1.020 20 0 BDADRP C(C1CCCC1)[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222492414 960664609 /nfs/dbraw/zinc/66/46/09/960664609.db2.gz XELOAIHLNUDDSW-KBPBESRZSA-N 2 0 237.391 1.202 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](OC2CC[NH+](C)CC2)C1 ZINC001222504424 972526352 /nfs/dbraw/zinc/52/63/52/972526352.db2.gz UCGSTKRMASOCKM-ZDUSSCGKSA-N 2 0 226.364 1.580 20 0 BDADRP CC[N@@H+]1CCC[C@H](OC2CC[NH+](C)CC2)C1 ZINC001222504773 972530597 /nfs/dbraw/zinc/53/05/97/972530597.db2.gz ZCZLCIMGRJVZEU-ZDUSSCGKSA-N 2 0 226.364 1.582 20 0 BDADRP [NH3+][C@@H]1C[C@H](N[C@@H]2CC[NH2+]C23CCC3)C12CCC2 ZINC000925721713 960792824 /nfs/dbraw/zinc/79/28/24/960792824.db2.gz DPYUGDHMOAVFGM-UTUOFQBUSA-N 2 0 235.375 1.131 20 0 BDADRP CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]C(C)C)[NH+](C)C ZINC001268092808 961201557 /nfs/dbraw/zinc/20/15/57/961201557.db2.gz FVNGSDORJJCCSF-RYUDHWBXSA-N 2 0 243.395 1.172 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC001167842002 961233612 /nfs/dbraw/zinc/23/36/12/961233612.db2.gz VOZAQIDBUKJKCB-MELADBBJSA-N 2 0 240.391 1.970 20 0 BDADRP [NH2+]=CNc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC001167866719 961351416 /nfs/dbraw/zinc/35/14/16/961351416.db2.gz CTHKHQAKBTYFKT-UHFFFAOYSA-N 3 0 246.358 1.876 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=[NH2+])NCCCC[NH3+])cc1 ZINC001167882666 961465378 /nfs/dbraw/zinc/46/53/78/961465378.db2.gz VUAUDSIFPCUMQQ-JTQLQIEISA-N 3 0 249.362 1.381 20 0 BDADRP CC(C)([NH3+])CC[NH2+][C@@H]1CCCSC1 ZINC000388859497 962114443 /nfs/dbraw/zinc/11/44/43/962114443.db2.gz DNFCLWMKQXGZLP-SECBINFHSA-N 2 0 202.367 1.599 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](CNc2cc(N)ncn2)C1 ZINC000132274409 962394221 /nfs/dbraw/zinc/39/42/21/962394221.db2.gz QDCYATLUZJYPPC-SNVBAGLBSA-N 2 0 235.335 1.201 20 0 BDADRP FC[C@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000711444120 962704118 /nfs/dbraw/zinc/70/41/18/962704118.db2.gz RMIFIVPSURLFIO-FKJOKYEKSA-N 2 0 226.339 1.951 20 0 BDADRP CSC[C@@H]1CCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000399998152 962833123 /nfs/dbraw/zinc/83/31/23/962833123.db2.gz LQZNSUPMUFEPTP-WOPDTQHZSA-N 2 0 228.405 1.941 20 0 BDADRP [NH3+]Cc1cn(-c2cc(N3CCCC3)cc[nH+]2)cn1 ZINC001154908766 962898109 /nfs/dbraw/zinc/89/81/09/962898109.db2.gz HGEFHFMUGOUPEI-UHFFFAOYSA-N 2 0 243.314 1.326 20 0 BDADRP CN(C)c1cccc(N[C@H]2CCC[C@H]([NH3+])C2)[nH+]1 ZINC001154976953 962928676 /nfs/dbraw/zinc/92/86/76/962928676.db2.gz LWNBDXVLZPVYNJ-QWRGUYRKSA-N 2 0 234.347 1.829 20 0 BDADRP COC[C@@H]1CCCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000696610978 963291112 /nfs/dbraw/zinc/29/11/12/963291112.db2.gz SELUMLIUUFWMJU-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP C[N@H+](Cc1ccc(N2CC[C@H]([NH3+])C2)nc1)C1CC1 ZINC001156232088 963296027 /nfs/dbraw/zinc/29/60/27/963296027.db2.gz CGMMVAUAIDGVCE-LBPRGKRZSA-N 2 0 246.358 1.213 20 0 BDADRP COC[C@@H]1CCCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000696641210 963331580 /nfs/dbraw/zinc/33/15/80/963331580.db2.gz LTTHQPQMTWDZLB-MCIONIFRSA-N 2 0 240.391 1.862 20 0 BDADRP Cc1cnc(NC(=[NH2+])NCCCC[NH3+])cc1C ZINC001157099969 963531066 /nfs/dbraw/zinc/53/10/66/963531066.db2.gz VEIKXUJHXKIVGQ-UHFFFAOYSA-N 2 0 235.335 1.374 20 0 BDADRP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCO1 ZINC001168076651 963617842 /nfs/dbraw/zinc/61/78/42/963617842.db2.gz ZBTCGFHPWPIASL-VJTDZRGJSA-N 2 0 238.375 1.769 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)CCO1 ZINC001168078744 963623862 /nfs/dbraw/zinc/62/38/62/963623862.db2.gz NOVIOXLJPNQALI-XQQFMLRXSA-N 2 0 226.364 1.485 20 0 BDADRP Cc1nc(N2CCC[C@@H]([NH3+])[C@H]2C)cc(N(C)C)[nH+]1 ZINC001157734959 963710695 /nfs/dbraw/zinc/71/06/95/963710695.db2.gz ZPOFULNYLKKWLA-MWLCHTKSSA-N 2 0 249.362 1.167 20 0 BDADRP Cc1c[nH+]c(N(CC[NH3+])c2cccnc2)cc1N ZINC001158001437 963790181 /nfs/dbraw/zinc/79/01/81/963790181.db2.gz HIKMWGPBFBCPIZ-UHFFFAOYSA-N 2 0 243.314 1.464 20 0 BDADRP CC(C)N(c1cc(N(C)C)cc[nH+]1)[C@@H]1CC[NH2+]C1 ZINC001158026171 963795402 /nfs/dbraw/zinc/79/54/02/963795402.db2.gz SVUDMQAHGJAZTE-CYBMUJFWSA-N 2 0 248.374 1.724 20 0 BDADRP C[C@H]1C[C@H]([NH+]2CC3(C2)CC[NH+](C)CC3)CCO1 ZINC001168134927 963827271 /nfs/dbraw/zinc/82/72/71/963827271.db2.gz DPJBRSCCCFLCMW-QWHCGFSZSA-N 2 0 238.375 1.582 20 0 BDADRP c1cc2c(cc[nH+]c2N2CC[N@H+]3CC[C@H]3C2)[nH]1 ZINC001158426458 963868053 /nfs/dbraw/zinc/86/80/53/963868053.db2.gz ZYLSRZXDBXNZPB-JTQLQIEISA-N 2 0 228.299 1.457 20 0 BDADRP CN(C)c1cc[nH+]c(NCC[C@H]2CCC[NH2+]2)c1 ZINC001158627022 963895854 /nfs/dbraw/zinc/89/58/54/963895854.db2.gz BYMAYNBSXGCLAC-LLVKDONJSA-N 2 0 234.347 1.702 20 0 BDADRP Cc1c(N)cc[nH+]c1NC1(C)CC[NH2+]CC1 ZINC001168182210 963935125 /nfs/dbraw/zinc/93/51/25/963935125.db2.gz NSISTNBXBMXMEG-UHFFFAOYSA-N 2 0 220.320 1.526 20 0 BDADRP Cc1[nH+]ccc(NC2(C)CC[NH2+]CC2)c1F ZINC001168187577 963946577 /nfs/dbraw/zinc/94/65/77/963946577.db2.gz DVUKJMJARPUZOV-UHFFFAOYSA-N 2 0 223.295 1.505 20 0 BDADRP Cc1[nH+]c(N2CC[NH2+]C3(CC3)C2)cc2[nH]ccc21 ZINC001158937966 963962149 /nfs/dbraw/zinc/96/21/49/963962149.db2.gz HQRKWQVTUNFTHO-UHFFFAOYSA-N 2 0 242.326 1.814 20 0 BDADRP c1cc2c[nH+]c(N3CC4(C3)CCC[NH2+]C4)cc2[nH]1 ZINC001159020113 963976597 /nfs/dbraw/zinc/97/65/97/963976597.db2.gz URNOKCQXGCLUCV-UHFFFAOYSA-N 2 0 242.326 1.753 20 0 BDADRP CN(c1cc(C[NH+](C)C)ccn1)C(C)(C)C[NH3+] ZINC001159059436 963989488 /nfs/dbraw/zinc/98/94/88/963989488.db2.gz GKNKUAYYVCAXPC-UHFFFAOYSA-N 2 0 236.363 1.317 20 0 BDADRP COc1ccc2c(c1)C[C@H]([N@H+](C)C[C@@H](C)C[NH3+])C2 ZINC001168245325 964054687 /nfs/dbraw/zinc/05/46/87/964054687.db2.gz WRQWEKDRFNNRFM-SMDDNHRTSA-N 2 0 248.370 1.689 20 0 BDADRP c1c(N=C2CC[NH2+]CC2)onc1[C@@H]1CCCC[NH2+]1 ZINC001159309611 964057010 /nfs/dbraw/zinc/05/70/10/964057010.db2.gz WMRYRFLCDHNTOY-NSHDSACASA-N 2 0 248.330 1.778 20 0 BDADRP C[C@H](Nc1ccc2c([nH+]1)CCC2)[C@H]1C[NH2+]CCO1 ZINC001159495550 964112482 /nfs/dbraw/zinc/11/24/82/964112482.db2.gz GAQDMFIUGFJNQY-GXFFZTMASA-N 2 0 247.342 1.359 20 0 BDADRP c1cc2c(cc1NC1=CCC[NH2+]C1)CC[NH2+]C2 ZINC001159600813 964129745 /nfs/dbraw/zinc/12/97/45/964129745.db2.gz OYPNAHKMEPCFFT-UHFFFAOYSA-N 2 0 229.327 1.621 20 0 BDADRP C1=C(Nc2ccc3c(c2)CC[NH2+]CC3)C[NH2+]C1 ZINC001159682490 964151234 /nfs/dbraw/zinc/15/12/34/964151234.db2.gz ZNCPGBPFZWTDJK-UHFFFAOYSA-N 2 0 229.327 1.274 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1nccc2ccccc21 ZINC001159779664 964191843 /nfs/dbraw/zinc/19/18/43/964191843.db2.gz HNBZLTPOFMPGEG-GFCCVEGCSA-N 2 0 230.315 1.670 20 0 BDADRP CC(C)c1cc(N[C@H]([NH3+])CCC[NH3+])ncn1 ZINC001159783373 964194330 /nfs/dbraw/zinc/19/43/30/964194330.db2.gz CGNPEDVNWVHSLI-JTQLQIEISA-N 2 0 223.324 1.036 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ncnc2ccccc21 ZINC001159779965 964195145 /nfs/dbraw/zinc/19/51/45/964195145.db2.gz MIVPMNMYSIGUEL-NSHDSACASA-N 2 0 231.303 1.065 20 0 BDADRP Cc1cccc2ncnc(N[C@H]([NH3+])CCC[NH3+])c12 ZINC001159785316 964196881 /nfs/dbraw/zinc/19/68/81/964196881.db2.gz OUEGPXIMGUSTFM-NSHDSACASA-N 2 0 245.330 1.374 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1nccc2ccc(F)cc21 ZINC001159786012 964199562 /nfs/dbraw/zinc/19/95/62/964199562.db2.gz VLOFGUQDZPLZCU-GFCCVEGCSA-N 2 0 248.305 1.810 20 0 BDADRP Cc1[nH]c2ncnc(N[C@@H]([NH3+])CCC[NH3+])c2c1C ZINC001159786065 964199637 /nfs/dbraw/zinc/19/96/37/964199637.db2.gz VVRYLILFKYZQPF-SECBINFHSA-N 2 0 248.334 1.010 20 0 BDADRP CCSc1ccnc(N[C@@H]([NH3+])CCC[NH3+])c1 ZINC001159789469 964201155 /nfs/dbraw/zinc/20/11/55/964201155.db2.gz UIWRDAOAOSGXTM-SNVBAGLBSA-N 2 0 240.376 1.629 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1nccc2c(F)cccc21 ZINC001159786156 964202203 /nfs/dbraw/zinc/20/22/03/964202203.db2.gz WLMNLEBHIIVHRI-GFCCVEGCSA-N 2 0 248.305 1.810 20 0 BDADRP [NH3+][C@H]1CCC[N@@H+]([C@@H]2CCCSC2)CC1 ZINC000725661333 964227873 /nfs/dbraw/zinc/22/78/73/964227873.db2.gz MJYXLKQMIYFGTB-WDEREUQCSA-N 2 0 214.378 1.695 20 0 BDADRP C[C@H]([NH3+])c1cccc(C(=O)N2CCC([NH3+])CC2)c1 ZINC001160523106 964319227 /nfs/dbraw/zinc/31/92/27/964319227.db2.gz SYZWRVYNBGLDEA-JTQLQIEISA-N 2 0 247.342 1.270 20 0 BDADRP C[NH+](C)C1CCC([NH2+]C2CC(F)C2)CC1 ZINC001168290767 964389079 /nfs/dbraw/zinc/38/90/79/964389079.db2.gz WOOIIFXLDRYYDL-UHFFFAOYSA-N 2 0 214.328 1.949 20 0 BDADRP C[NH+](C)C1CCC([NH2+]C2CC(=O)C2)CC1 ZINC001168298037 964394050 /nfs/dbraw/zinc/39/40/50/964394050.db2.gz YRFHZTIOAVNZSC-UHFFFAOYSA-N 2 0 210.321 1.180 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2CCCC[C@@H](O)C2)CC1 ZINC001168314554 964420043 /nfs/dbraw/zinc/42/00/43/964420043.db2.gz MVSXJINWMYHHDI-JXQTWKCFSA-N 2 0 240.391 1.706 20 0 BDADRP C[C@@H]1C[N@@H+](C2CCC([NH+](C)C)CC2)CCCO1 ZINC001168314108 964421586 /nfs/dbraw/zinc/42/15/86/964421586.db2.gz JXKAEDIXCNKSSG-IYXRBSQSSA-N 2 0 240.391 1.970 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2C[C@@H](F)C[C@H]2CO)CC1 ZINC001168313978 964421754 /nfs/dbraw/zinc/42/17/54/964421754.db2.gz HPVDMNSXLOXKLV-WTIISPKJSA-N 2 0 244.354 1.264 20 0 BDADRP CCCC[NH2+]CCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001160889048 964438132 /nfs/dbraw/zinc/43/81/32/964438132.db2.gz AHPFDFYKGRGQQB-GFCCVEGCSA-N 2 0 243.395 1.223 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2CCC[C@](C)(O)C2)CC1 ZINC001168324512 964446526 /nfs/dbraw/zinc/44/65/26/964446526.db2.gz QIJGTHAZRAYVGJ-RUXDESIVSA-N 2 0 240.391 1.706 20 0 BDADRP [NH3+]CCc1cn(-c2cccnn2)c2cc[nH+]cc12 ZINC001160944425 964454634 /nfs/dbraw/zinc/45/46/34/964454634.db2.gz JWAAFMZNBJQYCR-UHFFFAOYSA-N 2 0 239.282 1.317 20 0 BDADRP C[NH+](C)C1CCC([N@H+](C)Cc2ccon2)CC1 ZINC001168327352 964456783 /nfs/dbraw/zinc/45/67/83/964456783.db2.gz KEDSZKDKQWIXHF-UHFFFAOYSA-N 2 0 237.347 1.979 20 0 BDADRP C[C@@H]1C[N@@H+](C2CCC([NH+](C)C)CC2)[C@H](C)CO1 ZINC001168327902 964458810 /nfs/dbraw/zinc/45/88/10/964458810.db2.gz SPJKYTLLSGGAQP-IWMBGFJWSA-N 2 0 240.391 1.968 20 0 BDADRP C[C@@H]1C[C@H](O)CC[N@@H+]1C1CCC([NH+](C)C)CC1 ZINC001168327883 964460614 /nfs/dbraw/zinc/46/06/14/964460614.db2.gz RULUJDMJRRJSKO-BLYZHGLHSA-N 2 0 240.391 1.704 20 0 BDADRP [NH3+][C@H]1CCCN(C2CC[NH+](CC3CC3)CC2)C1 ZINC001168356003 964512567 /nfs/dbraw/zinc/51/25/67/964512567.db2.gz IMBGPSMIFZLCAT-ZDUSSCGKSA-N 2 0 237.391 1.284 20 0 BDADRP C[C@@]1(O)C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC001168357523 964520480 /nfs/dbraw/zinc/52/04/80/964520480.db2.gz FREQGFZVPJVRCI-HDJSIYSDSA-N 2 0 238.375 1.364 20 0 BDADRP C[C@H](CC[NH2+][C@@H](C)[C@H]1CCCO1)[NH+](C)C ZINC000697892049 964649896 /nfs/dbraw/zinc/64/98/96/964649896.db2.gz ZJQZVDWINFLJPI-GRYCIOLGSA-N 2 0 214.353 1.484 20 0 BDADRP C[C@@H](CC[NH2+][C@@H]1CCOC(C)(C)C1)[NH+](C)C ZINC000697908900 964675473 /nfs/dbraw/zinc/67/54/73/964675473.db2.gz NVHXFAXEQJHNIL-NWDGAFQWSA-N 2 0 228.380 1.874 20 0 BDADRP Cc1cc(N(C)C)nc(N[C@@H]2CCC[C@@H]([NH3+])C2)[nH+]1 ZINC001162394477 964955956 /nfs/dbraw/zinc/95/59/56/964955956.db2.gz PKJLUQIINCOOLC-GHMZBOCLSA-N 2 0 249.362 1.533 20 0 BDADRP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1ccnc(C[NH3+])c1 ZINC001162468266 964987791 /nfs/dbraw/zinc/98/77/91/964987791.db2.gz WEPUYBXSDCXMQW-VXGBXAGGSA-N 2 0 248.374 1.588 20 0 BDADRP C[C@H]1C[NH2+]CCC[C@H]1CNc1c[nH+]cn1C ZINC001162459515 964988413 /nfs/dbraw/zinc/98/84/13/964988413.db2.gz ZRCXUPQDCBJFRK-QWRGUYRKSA-N 2 0 222.336 1.468 20 0 BDADRP C[C@@H]1C[NH2+]CCC[C@H]1CNc1ccnc(C[NH3+])c1 ZINC001162468261 964988425 /nfs/dbraw/zinc/98/84/25/964988425.db2.gz WEPUYBXSDCXMQW-NEPJUHHUSA-N 2 0 248.374 1.588 20 0 BDADRP F[C@@H]1C[NH2+][C@H](CNc2c[nH+]cc3cc[nH]c32)C1 ZINC001162477682 964991234 /nfs/dbraw/zinc/99/12/34/964991234.db2.gz NBBUXQYJQZUJDP-UWVGGRQHSA-N 2 0 234.278 1.675 20 0 BDADRP Cc1cc(N(C)C)nc(NC[C@H]2C[NH2+][C@H](C)C2)[nH+]1 ZINC001162552883 965043197 /nfs/dbraw/zinc/04/31/97/965043197.db2.gz QVGIGMIKJPYNJN-MWLCHTKSSA-N 2 0 249.362 1.261 20 0 BDADRP COC(CC[NH+]1CCC(C)([NH+](C)C)CC1)OC ZINC000686610524 965043248 /nfs/dbraw/zinc/04/32/48/965043248.db2.gz HNSFOVLXRJEKCJ-UHFFFAOYSA-N 2 0 244.379 1.412 20 0 BDADRP C[C@@H]1C[C@@H](CNc2cccc(C[NH3+])c2)C[NH2+]1 ZINC001162558122 965046518 /nfs/dbraw/zinc/04/65/18/965046518.db2.gz PIXALTBPZAQGMX-ZYHUDNBSSA-N 2 0 219.332 1.555 20 0 BDADRP [NH3+]Cc1ccnn1-c1c[nH+]cc2cc[nH]c21 ZINC001162593297 965063124 /nfs/dbraw/zinc/06/31/24/965063124.db2.gz GGSVYOSBUZLEHU-UHFFFAOYSA-N 2 0 213.244 1.207 20 0 BDADRP C[C@H]1[NH2+]CC[C@H]1Nc1ccc([C@@H]2CCC[NH2+]2)cn1 ZINC001162666395 965101453 /nfs/dbraw/zinc/10/14/53/965101453.db2.gz DRHVCKHFLOHNBU-RTXFEEFZSA-N 2 0 246.358 1.668 20 0 BDADRP C[C@H]1[NH2+]CC[C@H]1Nc1ccc2c(c1)C[NH2+]C2 ZINC001162677412 965108259 /nfs/dbraw/zinc/10/82/59/965108259.db2.gz GYRBJSSYQCNCTL-NOZJJQNGSA-N 2 0 217.316 1.452 20 0 BDADRP Cc1cc2[nH+]ccn2cc1N[C@@H]1CC[NH2+][C@@H]1C ZINC001162678125 965109533 /nfs/dbraw/zinc/10/95/33/965109533.db2.gz XCZCMALQVORJRJ-GHMZBOCLSA-N 2 0 230.315 1.805 20 0 BDADRP CCOc1cc[nH+]c(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)c1 ZINC001162791454 965176987 /nfs/dbraw/zinc/17/69/87/965176987.db2.gz BLCPIJUINDXCGC-WCFLWFBJSA-N 2 0 245.326 1.666 20 0 BDADRP c1cc(NCc2ccc3c(c2)CC[NH2+]C3)cc[nH+]1 ZINC001162794975 965182745 /nfs/dbraw/zinc/18/27/45/965182745.db2.gz CCSYAGCSQAKDKX-UHFFFAOYSA-N 2 0 239.322 1.761 20 0 BDADRP Cc1c[nH+]c(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)cc1N ZINC001162797881 965186847 /nfs/dbraw/zinc/18/68/47/965186847.db2.gz PPBAYRANGJBEGN-HOSYDEDBSA-N 2 0 230.315 1.158 20 0 BDADRP C[n+]1cccc(N[C@@]23CCC[C@@H]2[NH2+]CC3)c1 ZINC001162987980 965219549 /nfs/dbraw/zinc/21/95/49/965219549.db2.gz OQOHXLBKEGRNMK-QWHCGFSZSA-N 2 0 218.324 1.208 20 0 BDADRP C[n+]1cccc(N[C@@H]2C[NH2+]Cc3ccsc32)c1 ZINC001163229445 965313341 /nfs/dbraw/zinc/31/33/41/965313341.db2.gz JIIZTDXURMMUDG-GFCCVEGCSA-N 2 0 246.359 1.829 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@H]1CCc2cc(F)ccc2C1 ZINC001168414294 965320880 /nfs/dbraw/zinc/32/08/80/965320880.db2.gz DOBFOGKIKFJUOT-HZMBPMFUSA-N 2 0 236.334 1.867 20 0 BDADRP CCc1cc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)cc[nH+]1 ZINC001163268539 965326667 /nfs/dbraw/zinc/32/66/67/965326667.db2.gz LJPPYZLTRKOMQT-SWHYSGLUSA-N 2 0 231.343 1.476 20 0 BDADRP [NH3+]Cc1cccc(N[C@H]2C[NH+]3CCC2CC3)n1 ZINC001163395766 965392445 /nfs/dbraw/zinc/39/24/45/965392445.db2.gz VSQIJERZZHGGCP-LBPRGKRZSA-N 2 0 232.331 1.046 20 0 BDADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1cc[nH+]c(CO)c1 ZINC001120824094 965419686 /nfs/dbraw/zinc/41/96/86/965419686.db2.gz IIOUPTMJJBHOHP-HZMBPMFUSA-N 2 0 247.342 1.469 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1Nc1cc[nH+]c(CO)c1 ZINC001120824096 965422616 /nfs/dbraw/zinc/42/26/16/965422616.db2.gz IIOUPTMJJBHOHP-QMTHXVAHSA-N 2 0 247.342 1.469 20 0 BDADRP CN(CC[NH3+])c1cc(N2CCCC2)cc[nH+]1 ZINC001163688205 965505838 /nfs/dbraw/zinc/50/58/38/965505838.db2.gz SOSWVMXZFLXPIA-UHFFFAOYSA-N 2 0 220.320 1.077 20 0 BDADRP Cc1cc2[nH]ccc2c(N(C)CC[NH3+])[nH+]1 ZINC001163688314 965509761 /nfs/dbraw/zinc/50/97/61/965509761.db2.gz YNQFWRQPZXLVCK-UHFFFAOYSA-N 2 0 204.277 1.266 20 0 BDADRP C[C@H](C[NH+](C)C)Nc1ccc2c(c1)C[NH2+]C2 ZINC001163776980 965570379 /nfs/dbraw/zinc/57/03/79/965570379.db2.gz QAKHSXZWXMWPSW-SNVBAGLBSA-N 2 0 219.332 1.652 20 0 BDADRP C[C@H](C[NH+](C)C)Nc1cnc2c(c1)C[NH2+]CC2 ZINC001163776708 965580759 /nfs/dbraw/zinc/58/07/59/965580759.db2.gz IGKUSWKDRURCDH-SNVBAGLBSA-N 2 0 234.347 1.089 20 0 BDADRP C[C@@H](C[NH+](C)C)Nc1ccc2[nH]c(N)[nH+]c2c1 ZINC001163777643 965582155 /nfs/dbraw/zinc/58/21/55/965582155.db2.gz XUABDIUWEUPMFP-QMMMGPOBSA-N 2 0 233.319 1.507 20 0 BDADRP [NH3+]CCN(CCO)c1cccc(C2=[NH+]CCC2)c1 ZINC001163836174 965601808 /nfs/dbraw/zinc/60/18/08/965601808.db2.gz PQRNSMBLSXIDIQ-UHFFFAOYSA-N 2 0 247.342 1.027 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C[C@H]2COC(C)(C)O2)CC[N@@H+]1C ZINC000715115861 965723564 /nfs/dbraw/zinc/72/35/64/965723564.db2.gz QMJQOYGUELUGSA-SRVKXCTJSA-N 2 0 242.363 1.210 20 0 BDADRP CC(C)N(CCC[NH3+])c1cnc2c(c1)C[NH2+]CC2 ZINC001164127473 965750081 /nfs/dbraw/zinc/75/00/81/965750081.db2.gz XBYLRTIIGGXYSC-UHFFFAOYSA-N 2 0 248.374 1.291 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@@H](CO)C(C)(C)C)CC1 ZINC000715178124 965770721 /nfs/dbraw/zinc/77/07/21/965770721.db2.gz XNACCOPYTZKJMZ-BPCQOVAHSA-N 2 0 242.407 1.856 20 0 BDADRP C[NH2+]CCCCC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC001122184279 965787864 /nfs/dbraw/zinc/78/78/64/965787864.db2.gz DHBOSVBLWASPLN-HAQNSBGRSA-N 2 0 241.379 1.010 20 0 BDADRP Nc1cccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205117739 965869979 /nfs/dbraw/zinc/86/99/79/965869979.db2.gz UDVMHCSXGWPXCV-GFCCVEGCSA-N 2 0 219.332 1.582 20 0 BDADRP CC[C@@H]1COC[C@H]1[NH2+]CCn1ccnc1C ZINC000699528298 965944935 /nfs/dbraw/zinc/94/49/35/965944935.db2.gz XUMFEUQOCWCBQK-VXGBXAGGSA-N 2 0 223.320 1.206 20 0 BDADRP C[C@H]([NH2+]C1CCSCC1)C1CC[NH2+]CC1 ZINC000400387444 965950274 /nfs/dbraw/zinc/95/02/74/965950274.db2.gz YSNYOKANUBKLSE-JTQLQIEISA-N 2 0 228.405 1.860 20 0 BDADRP CC[C@@H]1COC[C@@H]1[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000699542216 965955543 /nfs/dbraw/zinc/95/55/43/965955543.db2.gz KUTBNTSAZNBUOH-MJBXVCDLSA-N 2 0 240.391 1.733 20 0 BDADRP CN(c1ncccc1C[NH+]1CCCC1)C1C[NH2+]C1 ZINC001165127752 965970417 /nfs/dbraw/zinc/97/04/17/965970417.db2.gz VLKIIXLRMBDBQD-UHFFFAOYSA-N 2 0 246.358 1.085 20 0 BDADRP CN(C)c1cccc(N2C[C@@H]3C[NH+](C)C[C@H]3C2)[nH+]1 ZINC001165145834 965972601 /nfs/dbraw/zinc/97/26/01/965972601.db2.gz YBWARSCGLDTZII-RYUDHWBXSA-N 2 0 246.358 1.145 20 0 BDADRP C[NH+]1C[C@@H]2CN(c3[nH+]ccc4[nH]ccc43)C[C@H]2C1 ZINC001165145792 965973100 /nfs/dbraw/zinc/97/31/00/965973100.db2.gz WWILECLLDXPOFT-GHMZBOCLSA-N 2 0 242.326 1.561 20 0 BDADRP CCOc1cc[nH+]c(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1 ZINC001165146187 965973140 /nfs/dbraw/zinc/97/31/40/965973140.db2.gz CNPVAWCNQJNXGP-TXEJJXNPSA-N 2 0 247.342 1.478 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@H]2CCCCO2)CC[C@H]1C[NH3+] ZINC000699568108 965997079 /nfs/dbraw/zinc/99/70/79/965997079.db2.gz GVFRAKDBVJCVSD-HZSPNIEDSA-N 2 0 240.391 1.862 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@H]2CCCCO2)CC[C@@H]1C[NH3+] ZINC000699568113 965997757 /nfs/dbraw/zinc/99/77/57/965997757.db2.gz GVFRAKDBVJCVSD-MGPQQGTHSA-N 2 0 240.391 1.862 20 0 BDADRP Nc1cc[nH+]c(N2CCC3(CCCC[NH2+]3)CC2)c1 ZINC001165246815 966006937 /nfs/dbraw/zinc/00/69/37/966006937.db2.gz QGNVZLMARRSQNH-UHFFFAOYSA-N 2 0 246.358 1.776 20 0 BDADRP CN(C)c1cc[nH+]c(N2CC[C@H]3C[C@@]3([NH3+])C2)c1 ZINC001165326274 966053426 /nfs/dbraw/zinc/05/34/26/966053426.db2.gz BAXVCGABPRYOSD-GXFFZTMASA-N 2 0 232.331 1.075 20 0 BDADRP [NH3+]CCN(CC[NH3+])Cc1cccc2sccc21 ZINC001235880065 966124554 /nfs/dbraw/zinc/12/45/54/966124554.db2.gz JBRLBFQQNOCFOK-UHFFFAOYSA-N 2 0 249.383 1.621 20 0 BDADRP Cc1ccc(Cl)c(CN(CC[NH3+])CC[NH3+])c1 ZINC001235881218 966125237 /nfs/dbraw/zinc/12/52/37/966125237.db2.gz VJWCSYKPWPAJBW-UHFFFAOYSA-N 2 0 241.766 1.368 20 0 BDADRP [NH3+][C@@]12CC[C@@H]1C[N@H+](CC1CC3(C1)CC[NH2+]CC3)C2 ZINC001235980588 966197624 /nfs/dbraw/zinc/19/76/24/966197624.db2.gz QUOGYAXOUXZQST-UKRRQHHQSA-N 2 0 249.402 1.189 20 0 BDADRP C([C@@H]1CCCOC1)[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314757 966366670 /nfs/dbraw/zinc/36/66/70/966366670.db2.gz RZHLOBIDNWKBPB-MELADBBJSA-N 2 0 238.375 1.344 20 0 BDADRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2ccsc2)CC1 ZINC001205211544 966850056 /nfs/dbraw/zinc/85/00/56/966850056.db2.gz VXCYIJMXTYQKRS-LBPRGKRZSA-N 2 0 240.372 1.424 20 0 BDADRP Cc1cccc(C[NH+]2CCC3(C[NH+](C)C3)CC2)n1 ZINC001204070226 966878953 /nfs/dbraw/zinc/87/89/53/966878953.db2.gz IIJGRYZYJDUDBP-UHFFFAOYSA-N 2 0 245.370 1.918 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]C[C@H]3CCSC3)[C@@H]2C1 ZINC001204089818 966888604 /nfs/dbraw/zinc/88/86/04/966888604.db2.gz RKENJFLURRXQGD-XQHKEYJVSA-N 2 0 240.416 1.669 20 0 BDADRP COC1CC(C[N@H+](C)CC2CC[NH+](C)CC2)C1 ZINC001204450770 966999988 /nfs/dbraw/zinc/99/99/88/966999988.db2.gz ZEERWRQPHCHIQC-UHFFFAOYSA-N 2 0 240.391 1.685 20 0 BDADRP Cc1c(C[NH+]2CCC3(C[NH+](C)C3)CC2)cnn1C ZINC001204571693 967056742 /nfs/dbraw/zinc/05/67/42/967056742.db2.gz DEPKCPIXSFMGCY-UHFFFAOYSA-N 2 0 248.374 1.256 20 0 BDADRP C[NH+](C)Cc1ccc(-c2cc(C[NH3+])ncn2)cc1 ZINC001204606286 967105059 /nfs/dbraw/zinc/10/50/59/967105059.db2.gz KPLAWTOQSBPJDT-UHFFFAOYSA-N 2 0 242.326 1.664 20 0 BDADRP C[NH2+]CCN(C)CCC[NH2+]C1CCCCC1 ZINC001204720246 967140562 /nfs/dbraw/zinc/14/05/62/967140562.db2.gz BPTNGMUZOVDFBV-UHFFFAOYSA-N 2 0 227.396 1.450 20 0 BDADRP C[C@@]1([NH3+])CC[N@H+](CC2CC3(C2)CC[NH2+]CC3)C1 ZINC001204763936 967152448 /nfs/dbraw/zinc/15/24/48/967152448.db2.gz TZSNILUGZIQIGP-CYBMUJFWSA-N 3 0 237.391 1.189 20 0 BDADRP C[NH+](C)C1CCC(n2cncc2CC[NH3+])CC1 ZINC000715542085 967155441 /nfs/dbraw/zinc/15/54/41/967155441.db2.gz YARSUDGAPRUCLP-UHFFFAOYSA-N 2 0 236.363 1.430 20 0 BDADRP C[NH+](C)C1CCC(n2cncc2C[NH3+])CC1 ZINC000715567392 967187343 /nfs/dbraw/zinc/18/73/43/967187343.db2.gz DQNJSQUGUVSBJG-UHFFFAOYSA-N 2 0 222.336 1.387 20 0 BDADRP C[NH+](C)C1CCC([NH2+]Cc2ncccn2)CC1 ZINC000715573311 967187913 /nfs/dbraw/zinc/18/79/13/967187913.db2.gz PMDYZAZDPBWCHB-UHFFFAOYSA-N 2 0 234.347 1.439 20 0 BDADRP C[NH+](C)C1CCC([NH2+]Cc2cncnc2)CC1 ZINC000715583068 967193933 /nfs/dbraw/zinc/19/39/33/967193933.db2.gz IXHPCGSVWVDZKA-UHFFFAOYSA-N 2 0 234.347 1.439 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCC(=O)[C@H]2CCCC[C@H]21 ZINC001204847547 967194556 /nfs/dbraw/zinc/19/45/56/967194556.db2.gz CGGYHVKUNCJOGB-NWDGAFQWSA-N 2 0 224.348 1.559 20 0 BDADRP CN1CCC[C@H]([NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000715582263 967195096 /nfs/dbraw/zinc/19/50/96/967195096.db2.gz YNLBBUOBMVUPSU-IHRRRGAJSA-N 2 0 239.407 1.543 20 0 BDADRP CC1(C[N@@H+]2CCCC[C@H]2CN)CC[NH2+]CC1 ZINC001204918340 967234854 /nfs/dbraw/zinc/23/48/54/967234854.db2.gz CMQLNDHXILAJOJ-LBPRGKRZSA-N 2 0 225.380 1.189 20 0 BDADRP C[C@@]1([NH3+])CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC001204938497 967244800 /nfs/dbraw/zinc/24/48/00/967244800.db2.gz MJFVJSXDTYDIMB-CHWSQXEVSA-N 3 0 225.380 1.189 20 0 BDADRP CC[C@H](CO)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000691350298 967262370 /nfs/dbraw/zinc/26/23/70/967262370.db2.gz NNLBHRCRECOFFG-GFCCVEGCSA-N 2 0 214.353 1.031 20 0 BDADRP CC[C@H](C)[N@H+](CCO)CC1CC[NH+](C)CC1 ZINC000691352054 967262472 /nfs/dbraw/zinc/26/24/72/967262472.db2.gz VHNJOGHAIVCDOY-LBPRGKRZSA-N 2 0 228.380 1.421 20 0 BDADRP CO[C@@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000693561739 967265551 /nfs/dbraw/zinc/26/55/51/967265551.db2.gz IAMGQKMRFZHWHP-GRYCIOLGSA-N 2 0 212.337 1.225 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2cccc(CF)n2)CC1 ZINC001205047181 967303496 /nfs/dbraw/zinc/30/34/96/967303496.db2.gz QBLXCDZSDJYJCO-UHFFFAOYSA-N 2 0 237.322 1.722 20 0 BDADRP Cc1n[nH]cc1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205094151 967337442 /nfs/dbraw/zinc/33/74/42/967337442.db2.gz JBCLOQXSCWNAII-NSHDSACASA-N 2 0 208.309 1.031 20 0 BDADRP [NH3+][C@@H]1CCCN(CC[C@@H]2CCCC[NH2+]2)CC1 ZINC001205095347 967340079 /nfs/dbraw/zinc/34/00/79/967340079.db2.gz WYVJDYANBJQIHK-OLZOCXBDSA-N 2 0 225.380 1.332 20 0 BDADRP [NH3+][C@H]1CCC[N@H+](Cc2ccc3cc[nH]c3n2)CC1 ZINC001205110529 967358606 /nfs/dbraw/zinc/35/86/06/967358606.db2.gz VFWSWLVBADRBIB-LBPRGKRZSA-N 2 0 244.342 1.876 20 0 BDADRP [NH3+][C@@H]1CCC[N@H+](Cc2ccc3cc[nH]c3n2)CC1 ZINC001205110528 967360550 /nfs/dbraw/zinc/36/05/50/967360550.db2.gz VFWSWLVBADRBIB-GFCCVEGCSA-N 2 0 244.342 1.876 20 0 BDADRP [NH3+][C@@H]1CCC[N@H+](Cc2c[nH]c3nccnc23)CC1 ZINC001205117137 967365408 /nfs/dbraw/zinc/36/54/08/967365408.db2.gz LPJWUVWAWDUBAU-LLVKDONJSA-N 2 0 245.330 1.223 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccc(CCO)cc2)C[C@H]1C[NH3+] ZINC001205145713 967390080 /nfs/dbraw/zinc/39/00/80/967390080.db2.gz CAKUNLUOBRJJRU-SWLSCSKDSA-N 2 0 248.370 1.248 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccc(N)c(F)c2)C[C@H]1C[NH3+] ZINC001205150393 967394191 /nfs/dbraw/zinc/39/41/91/967394191.db2.gz AXSYDJOLCMZWHN-GXSJLCMTSA-N 2 0 237.322 1.435 20 0 BDADRP Cc1nc(F)ccc1CN1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205150998 967397492 /nfs/dbraw/zinc/39/74/92/967397492.db2.gz MWACTUDLMXPNBT-JOYOIKCWSA-N 2 0 237.322 1.556 20 0 BDADRP CC[C@H](CCO)[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693704402 967404388 /nfs/dbraw/zinc/40/43/88/967404388.db2.gz LZCBDZQEDYKPSE-FVCCEPFGSA-N 2 0 240.391 1.514 20 0 BDADRP Cc1cnccc1C[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205209488 967427219 /nfs/dbraw/zinc/42/72/19/967427219.db2.gz JUNRRBOFFFUWLJ-CQSZACIVSA-N 2 0 249.358 1.066 20 0 BDADRP Cc1ccc(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)cc1 ZINC001205210125 967431410 /nfs/dbraw/zinc/43/14/10/967431410.db2.gz NBMRIMQJINFWID-OAHLLOKOSA-N 2 0 248.370 1.671 20 0 BDADRP C[C@]1([NH3+])CCC[N@H+](CC2CCOCC2)CC1 ZINC001205255485 967444077 /nfs/dbraw/zinc/44/40/77/967444077.db2.gz JMEGHXFFFJMWJO-ZDUSSCGKSA-N 2 0 226.364 1.616 20 0 BDADRP CCOC(=O)CC[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205256533 967444626 /nfs/dbraw/zinc/44/46/26/967444626.db2.gz PEBOZOJSYQRWED-LBPRGKRZSA-N 2 0 228.336 1.143 20 0 BDADRP C[C@]1([NH3+])CCC[N@H+](Cc2ccc[nH]2)CC1 ZINC001205264786 967455644 /nfs/dbraw/zinc/45/56/44/967455644.db2.gz MJEZLEXGSRYDRO-LBPRGKRZSA-N 2 0 207.321 1.718 20 0 BDADRP C[C@]1([NH3+])CCC[N@H+](Cc2cnc(N)s2)CC1 ZINC001205272993 967465463 /nfs/dbraw/zinc/46/54/63/967465463.db2.gz BWEGOSLFXQRYAV-NSHDSACASA-N 2 0 240.376 1.429 20 0 BDADRP Cc1c[nH]c(=O)c(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c1 ZINC001205287706 967481087 /nfs/dbraw/zinc/48/10/87/967481087.db2.gz AZDRTHBETMKPDG-CQSZACIVSA-N 2 0 249.358 1.799 20 0 BDADRP C[NH+](C)CC1(C[NH2+][C@H]2CCCOC2)CCCC1 ZINC001205299247 967494169 /nfs/dbraw/zinc/49/41/69/967494169.db2.gz LZRDGGZJPSIRBS-ZDUSSCGKSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@H]1CCNCC[N@@H+]1CC1(C)CC[NH2+]CC1 ZINC001205324721 967539383 /nfs/dbraw/zinc/53/93/83/967539383.db2.gz FPMYSALWRZYFTG-LBPRGKRZSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@H]1CC[NH2+]CCN1Cc1ccc(C[NH3+])cc1 ZINC001205325606 967544018 /nfs/dbraw/zinc/54/40/18/967544018.db2.gz PKSWZLJCXDRPML-LBPRGKRZSA-N 2 0 233.359 1.329 20 0 BDADRP C[NH+](C)CCCCNc1ccccc1CC[NH3+] ZINC001161730990 967619885 /nfs/dbraw/zinc/61/98/85/967619885.db2.gz VHXOKMQRBQNVIE-UHFFFAOYSA-N 2 0 235.375 1.942 20 0 BDADRP [NH3+]C[C@@]1(F)CCC[N@H+](CCCCCO)CC1 ZINC001205539425 967682217 /nfs/dbraw/zinc/68/22/17/967682217.db2.gz YWIXPVFXBPEDJU-GFCCVEGCSA-N 2 0 232.343 1.302 20 0 BDADRP [NH3+]C[C@@]1(F)CCC[N@H+](CC2CC2)CC1 ZINC001205539400 967683134 /nfs/dbraw/zinc/68/31/34/967683134.db2.gz YOGGVMZWASFTIE-LLVKDONJSA-N 2 0 200.301 1.549 20 0 BDADRP [NH3+]C[C@@]1(F)CCC[N@H+](C[C@@H]2CCCOC2)CC1 ZINC001205538820 967684214 /nfs/dbraw/zinc/68/42/14/967684214.db2.gz PTTXDKRDKDZWKD-QWHCGFSZSA-N 2 0 244.354 1.566 20 0 BDADRP CCOC(C)(C)C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205546671 967686048 /nfs/dbraw/zinc/68/60/48/967686048.db2.gz YKYCMHULDOXODO-CYBMUJFWSA-N 2 0 246.370 1.954 20 0 BDADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2nccs2)CC1 ZINC001205546343 967692806 /nfs/dbraw/zinc/69/28/06/967692806.db2.gz UGSAHQQQUCRDGE-LLVKDONJSA-N 2 0 243.351 1.796 20 0 BDADRP CCn1cc(C[NH+]2CCC3(C[NH+](C)C3)CC2)cn1 ZINC001205552185 967696300 /nfs/dbraw/zinc/69/63/00/967696300.db2.gz GJNGDPGDRHXQSK-UHFFFAOYSA-N 2 0 248.374 1.431 20 0 BDADRP C[C@H]1CC[N@H+](CC2(C)COC2)CC[C@@H]1C[NH3+] ZINC001205603110 967717423 /nfs/dbraw/zinc/71/74/23/967717423.db2.gz NRVBGIMSTOSIGD-NWDGAFQWSA-N 2 0 226.364 1.330 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2ccncn2)CC[C@H]1C[NH3+] ZINC001205627493 967736760 /nfs/dbraw/zinc/73/67/60/967736760.db2.gz QCUODUKSGPGXCS-NEPJUHHUSA-N 2 0 234.347 1.283 20 0 BDADRP [NH3+]C[C@]1(O)CCCC[N@H+](CCC(F)(F)F)C1 ZINC001205665733 967755972 /nfs/dbraw/zinc/75/59/72/967755972.db2.gz UXVZIHZCOHWTFZ-SECBINFHSA-N 2 0 240.269 1.115 20 0 BDADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cnoc1)CC2 ZINC001205724164 967801844 /nfs/dbraw/zinc/80/18/44/967801844.db2.gz HSJYKYNNUAPPJA-UHFFFAOYSA-N 2 0 249.358 1.982 20 0 BDADRP COC1CC(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)C1 ZINC000703840835 967877055 /nfs/dbraw/zinc/87/70/55/967877055.db2.gz PDCASQLNDVHPCW-MCIGGMRASA-N 2 0 212.337 1.082 20 0 BDADRP C[C@@H]1CN(C[C@H]2CCC[NH2+]2)CCC[C@@H]1C[NH3+] ZINC001205985122 967928267 /nfs/dbraw/zinc/92/82/67/967928267.db2.gz WADDJBJJQUFWAR-JHJVBQTASA-N 2 0 225.380 1.045 20 0 BDADRP C[C@@H]1C[N@H+](CCCCC[NH3+])CCC[C@@H]1C[NH3+] ZINC001205984226 967929759 /nfs/dbraw/zinc/92/97/59/967929759.db2.gz RLPFTEMBHJWBHR-CHWSQXEVSA-N 3 0 227.396 1.422 20 0 BDADRP C[C@@H]1CN(C[C@@H]2CCC[NH2+]2)CCC[C@@H]1C[NH3+] ZINC001205985124 967933330 /nfs/dbraw/zinc/93/33/30/967933330.db2.gz WADDJBJJQUFWAR-UPJWGTAASA-N 2 0 225.380 1.045 20 0 BDADRP COCOCCC[N@@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205983088 967935978 /nfs/dbraw/zinc/93/59/78/967935978.db2.gz NQYKWOUKQVLNAG-QWHCGFSZSA-N 2 0 244.379 1.304 20 0 BDADRP C[C@@H]1CN(C[C@@H]2CCC[NH2+]2)CCC[C@H]1C[NH3+] ZINC001205985118 967936725 /nfs/dbraw/zinc/93/67/25/967936725.db2.gz WADDJBJJQUFWAR-AGIUHOORSA-N 2 0 225.380 1.045 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cc[nH]c(=O)c2)CCC[C@H]1C[NH3+] ZINC001205992584 967939935 /nfs/dbraw/zinc/93/99/35/967939935.db2.gz FMDZQFSXZANVCD-YPMHNXCESA-N 2 0 249.358 1.594 20 0 BDADRP C[C@H]1C[N@H+](Cc2cccc(=O)[nH]2)CCC[C@@H]1C[NH3+] ZINC001205991341 967942164 /nfs/dbraw/zinc/94/21/64/967942164.db2.gz ADSBEFSSLKJBFZ-NWDGAFQWSA-N 2 0 249.358 1.594 20 0 BDADRP Cc1nc[nH]c1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205993428 967946523 /nfs/dbraw/zinc/94/65/23/967946523.db2.gz HPSJVKNTHLUXTL-PWSUYJOCSA-N 2 0 236.363 1.525 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cn(C)cn2)CCC[C@H]1C[NH3+] ZINC001205995911 967948146 /nfs/dbraw/zinc/94/81/46/967948146.db2.gz RSGMDVACXMHTGB-NEPJUHHUSA-N 2 0 236.363 1.227 20 0 BDADRP Cc1nccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)n1 ZINC001205996721 967949598 /nfs/dbraw/zinc/94/95/98/967949598.db2.gz XYLQFVLXQNNQCZ-WCQYABFASA-N 2 0 248.374 1.592 20 0 BDADRP Cc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)no1 ZINC001205996083 967950258 /nfs/dbraw/zinc/95/02/58/967950258.db2.gz UOEJNXXVKBXDRU-CMPLNLGQSA-N 2 0 237.347 1.790 20 0 BDADRP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)no1 ZINC001205996084 967951729 /nfs/dbraw/zinc/95/17/29/967951729.db2.gz UOEJNXXVKBXDRU-JQWIXIFHSA-N 2 0 237.347 1.790 20 0 BDADRP C[C@H]1C[N@H+](Cc2cnn(C)c2)CCC[C@@H]1C[NH3+] ZINC001205995241 967953679 /nfs/dbraw/zinc/95/36/79/967953679.db2.gz NJIKVOZRMBTUEX-WCQYABFASA-N 2 0 236.363 1.227 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccnnc2)CCC[C@@H]1C[NH3+] ZINC001206005586 967955759 /nfs/dbraw/zinc/95/57/59/967955759.db2.gz YUBGCHDPUOPDAB-WCQYABFASA-N 2 0 234.347 1.283 20 0 BDADRP C[C@H]1C[N@H+](Cc2cnco2)CCC[C@@H]1C[NH3+] ZINC001206004782 967956656 /nfs/dbraw/zinc/95/66/56/967956656.db2.gz VIUPGCCHIFUMPB-WDEREUQCSA-N 2 0 223.320 1.481 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccnnc2)CCC[C@H]1C[NH3+] ZINC001206005584 967961896 /nfs/dbraw/zinc/96/18/96/967961896.db2.gz YUBGCHDPUOPDAB-AAEUAGOBSA-N 2 0 234.347 1.283 20 0 BDADRP Cc1nccc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)n1 ZINC001206304201 968209802 /nfs/dbraw/zinc/20/98/02/968209802.db2.gz HEDDXIWJLXAAQN-CQSZACIVSA-N 2 0 248.374 1.736 20 0 BDADRP C[NH+]1CCC(C)(CN2C[C@H]([NH3+])C[C@H](F)C2)CC1 ZINC001206406363 968282788 /nfs/dbraw/zinc/28/27/88/968282788.db2.gz XRHKMFCQDFSCSF-NWDGAFQWSA-N 2 0 243.370 1.089 20 0 BDADRP C[C@@]1(CO)CCC[N@H+](CCCC[NH3+])CC1 ZINC001206404623 968283518 /nfs/dbraw/zinc/28/35/18/968283518.db2.gz MOCSATJHIWLOIA-GFCCVEGCSA-N 2 0 214.353 1.210 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+]C1CCC2(CC1)OCCO2 ZINC001331834078 968287161 /nfs/dbraw/zinc/28/71/61/968287161.db2.gz KWUHNPMXUVCKLC-LLVKDONJSA-N 2 0 242.363 1.117 20 0 BDADRP Cc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(C)c1 ZINC001206463707 968317538 /nfs/dbraw/zinc/31/75/38/968317538.db2.gz CEQLIKSSLJIFKG-UONOGXRCSA-N 2 0 234.343 1.055 20 0 BDADRP [NH3+]C[C@H]1C[N@H+](CCCC2CCCC2)C[C@H]1O ZINC001206456730 968319289 /nfs/dbraw/zinc/31/92/89/968319289.db2.gz OWMMUSMVOXFBCU-QWHCGFSZSA-N 2 0 226.364 1.208 20 0 BDADRP CC1=C[C@@H](C)[C@@H](C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001206457948 968319321 /nfs/dbraw/zinc/31/93/21/968319321.db2.gz VPPNACOKRJHPKT-YIYPIFLZSA-N 2 0 238.375 1.230 20 0 BDADRP CC[C@@H](O)C[NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001251799507 968336585 /nfs/dbraw/zinc/33/65/85/968336585.db2.gz AZFNFBSTPQILPC-MELADBBJSA-N 2 0 242.407 1.715 20 0 BDADRP Cc1ccc(C)c(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206512636 968347957 /nfs/dbraw/zinc/34/79/57/968347957.db2.gz RZNGUSAPZJSAPK-KBPBESRZSA-N 2 0 234.343 1.055 20 0 BDADRP CCc1ccccc1C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206524958 968355394 /nfs/dbraw/zinc/35/53/94/968355394.db2.gz CHZREQSRULGTON-KBPBESRZSA-N 2 0 234.343 1.000 20 0 BDADRP Cc1cc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)sc1C ZINC001206530214 968358873 /nfs/dbraw/zinc/35/88/73/968358873.db2.gz DWFWIBDZDHSUPP-JQWIXIFHSA-N 2 0 240.372 1.116 20 0 BDADRP COC(=O)CCC[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206542116 968365381 /nfs/dbraw/zinc/36/53/81/968365381.db2.gz RQXIZSXPBMHLER-ZDUSSCGKSA-N 2 0 242.363 1.391 20 0 BDADRP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ccc[nH]2)C1 ZINC001206542114 968369754 /nfs/dbraw/zinc/36/97/54/968369754.db2.gz RQTMTRSCWMSBHR-ZDUSSCGKSA-N 2 0 221.348 1.966 20 0 BDADRP C[C@]1(C[NH3+])CCCC[N@H+](Cc2cccc(=O)[nH]2)C1 ZINC001206547619 968370661 /nfs/dbraw/zinc/37/06/61/968370661.db2.gz DOEBKGUQXYWFSX-CQSZACIVSA-N 2 0 249.358 1.738 20 0 BDADRP C[C@H](O)C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001251961336 968398668 /nfs/dbraw/zinc/39/86/68/968398668.db2.gz ISOBQTYXJPJRJA-KBPBESRZSA-N 2 0 240.391 1.708 20 0 BDADRP CC(C)[N@H+](CCCCO)[C@H]1CCC[NH2+]CC1 ZINC001206581559 968399251 /nfs/dbraw/zinc/39/92/51/968399251.db2.gz KFAZPPOFHPRLOF-ZDUSSCGKSA-N 2 0 228.380 1.611 20 0 BDADRP CCOc1cc[nH+]c(N(C)C[C@@H]2CC[NH2+]C2)c1 ZINC001166956050 968404916 /nfs/dbraw/zinc/40/49/16/968404916.db2.gz SSQUZFGSHDSXHM-LLVKDONJSA-N 2 0 235.331 1.526 20 0 BDADRP COc1cnccc1CN1CCCC[C@@H](C[NH3+])C1 ZINC001206615149 968420184 /nfs/dbraw/zinc/42/01/84/968420184.db2.gz DBWCPSUHUVJSQM-LBPRGKRZSA-N 2 0 249.358 1.651 20 0 BDADRP C(C[NH+]1CCCCC1)O[C@@H]1C[NH+]2CCC1CC2 ZINC001206709093 968437797 /nfs/dbraw/zinc/43/77/97/968437797.db2.gz CAFVEUFWDMBOAU-CQSZACIVSA-N 2 0 238.375 1.583 20 0 BDADRP CC[N@@H+]1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC001206709104 968438580 /nfs/dbraw/zinc/43/85/80/968438580.db2.gz CEWXHYLRJCIKRS-CYBMUJFWSA-N 2 0 226.364 1.583 20 0 BDADRP CCCC[C@@H](O)C[N@H+](C)CCC[NH+](C)C ZINC001252076368 968493484 /nfs/dbraw/zinc/49/34/84/968493484.db2.gz KIHBQJCSXQFIDF-GFCCVEGCSA-N 2 0 216.369 1.421 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc[nH]c3=O)C2)C1 ZINC001207009749 968547134 /nfs/dbraw/zinc/54/71/34/968547134.db2.gz YHTUSHSCJHFLRS-CQSZACIVSA-N 2 0 247.342 1.315 20 0 BDADRP CCCC[C@@H](O)C[N@H+](CC)CCC[NH+](C)C ZINC001252095562 968572345 /nfs/dbraw/zinc/57/23/45/968572345.db2.gz AEWHCFOXIAPXJK-CYBMUJFWSA-N 2 0 230.396 1.811 20 0 BDADRP CCCC[C@H](O)C[N@@H+]1C[C@H]2CCCN(C)[C@@H]2C1 ZINC001252098902 968583904 /nfs/dbraw/zinc/58/39/04/968583904.db2.gz XIJJPGJTDRXJOZ-HZSPNIEDSA-N 2 0 240.391 1.564 20 0 BDADRP C[NH+](C)CC1CC[NH+](Cc2cccc(=O)[nH]2)CC1 ZINC001207069826 968599122 /nfs/dbraw/zinc/59/91/22/968599122.db2.gz VUVKZQLFEANMQQ-UHFFFAOYSA-N 2 0 249.358 1.561 20 0 BDADRP CCCC[C@H](O)C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001252118735 968602535 /nfs/dbraw/zinc/60/25/35/968602535.db2.gz JZJJMEJXDCZPQB-MJBXVCDLSA-N 2 0 242.407 2.000 20 0 BDADRP c1cc2c(c(C3=CCC[NH2+]C3)c1)C[NH2+]CC2 ZINC001240663598 968629431 /nfs/dbraw/zinc/62/94/31/968629431.db2.gz APLSQQSOTDRGPZ-UHFFFAOYSA-N 2 0 214.312 1.709 20 0 BDADRP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@@H](F)[C@@H](O)CC1 ZINC001207274711 968705983 /nfs/dbraw/zinc/70/59/83/968705983.db2.gz FJLCZCPNSISUBX-NEPJUHHUSA-N 2 0 246.370 1.369 20 0 BDADRP C[C@@H]1CC[C@@H](CO)C[N@@H+]1CC(C)(C)C[NH+](C)C ZINC001207275706 968712913 /nfs/dbraw/zinc/71/29/13/968712913.db2.gz ODWLNVDPSUVLCA-CHWSQXEVSA-N 2 0 242.407 1.667 20 0 BDADRP C[C@H]1C[N@H+](CC2CC[NH+](C)CC2)CCC[C@@H]1O ZINC001207391323 968744945 /nfs/dbraw/zinc/74/49/45/968744945.db2.gz FBFZXBUJZLSWGW-JSGCOSHPSA-N 2 0 240.391 1.421 20 0 BDADRP Cn1cc2c(n1)CC[N@@H+](CC1CC[NH+](C)CC1)C2 ZINC001207398232 968745410 /nfs/dbraw/zinc/74/54/10/968745410.db2.gz BCZBTAOJSJXNFP-UHFFFAOYSA-N 2 0 248.374 1.120 20 0 BDADRP C[NH+]1CCC(C[NH+]2CC3(CSC3)C2)CC1 ZINC001207401182 968749723 /nfs/dbraw/zinc/74/97/23/968749723.db2.gz NGWMZWCJZUETTE-UHFFFAOYSA-N 2 0 226.389 1.377 20 0 BDADRP C[N@H+](CC1CC[NH2+]CC1)C1CC(F)(F)C1 ZINC001207436919 968754957 /nfs/dbraw/zinc/75/49/57/968754957.db2.gz WWSAEGQIBFVESQ-UHFFFAOYSA-N 2 0 218.291 1.716 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CCCC2(COC2)C1 ZINC001207435769 968768839 /nfs/dbraw/zinc/76/88/39/968768839.db2.gz MLLQGBZEJZPZAL-UHFFFAOYSA-N 2 0 224.348 1.098 20 0 BDADRP C[C@]1(F)CC[N@H+](CC2CC[NH2+]CC2)C[C@@H]1F ZINC001207436838 968769798 /nfs/dbraw/zinc/76/97/98/968769798.db2.gz RTPWFCCJGCCRGT-RYUDHWBXSA-N 2 0 232.318 1.758 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001207436238 968770107 /nfs/dbraw/zinc/77/01/07/968770107.db2.gz YOAVBJGIPYYTJZ-OLZOCXBDSA-N 2 0 224.348 1.097 20 0 BDADRP c1cnc2c(c1)C[N@H+](CC1CC[NH2+]CC1)CC2 ZINC001207437639 968770698 /nfs/dbraw/zinc/77/06/98/968770698.db2.gz NBGGZBURWJWZAZ-UHFFFAOYSA-N 2 0 231.343 1.439 20 0 BDADRP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](C[C@@H]1CCCOC1)C2 ZINC001207470449 968790608 /nfs/dbraw/zinc/79/06/08/968790608.db2.gz RVUDYYQTJFFOAC-BFHYXJOUSA-N 2 0 238.375 1.297 20 0 BDADRP C[C@H]1C[NH+](CCC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC001207479016 968792552 /nfs/dbraw/zinc/79/25/52/968792552.db2.gz ARVUCGYAMMUJLH-STQMWFEESA-N 2 0 240.391 1.828 20 0 BDADRP C[NH+](C)CCC[N@H+](C)CCC1CC[NH+](C)CC1 ZINC001207479754 968794710 /nfs/dbraw/zinc/79/47/10/968794710.db2.gz MWDNFTAMLKIADO-UHFFFAOYSA-N 3 0 241.423 1.602 20 0 BDADRP CC[N@H+](CCC1CC[NH+](C)CC1)C1CN(C)C1 ZINC001207487120 968796771 /nfs/dbraw/zinc/79/67/71/968796771.db2.gz HQMFIBKJWDXEOF-UHFFFAOYSA-N 2 0 239.407 1.354 20 0 BDADRP C[NH+]1CCC(CC[N@@H+]2C[C@@H]3COC[C@@H]3C2)CC1 ZINC001207481292 968796947 /nfs/dbraw/zinc/79/69/47/968796947.db2.gz APXXXHOBTPEEDC-OKILXGFUSA-N 2 0 238.375 1.297 20 0 BDADRP C[C@@H]1CC[N@H+](CCC2CC[NH+](C)CC2)C[C@H]1O ZINC001207480143 968797724 /nfs/dbraw/zinc/79/77/24/968797724.db2.gz UVRHKNBSSJUJRS-TZMCWYRMSA-N 2 0 240.391 1.421 20 0 BDADRP C[C@H]1C[N@H+](CCC2CC[NH+](C)CC2)C[C@@H]1O ZINC001207481623 968798575 /nfs/dbraw/zinc/79/85/75/968798575.db2.gz MDYSNFBUYCERIB-AAEUAGOBSA-N 2 0 226.364 1.031 20 0 BDADRP Nc1cc[nH+]c(N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC001154978894 968835516 /nfs/dbraw/zinc/83/55/16/968835516.db2.gz VLQJFNFZBZFAKW-WPRPVWTQSA-N 2 0 206.293 1.346 20 0 BDADRP C[NH+](C)Cc1ccnc(N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC001154990942 968842827 /nfs/dbraw/zinc/84/28/27/968842827.db2.gz ZEYQMWSEGNYUGM-QWHCGFSZSA-N 2 0 248.374 1.825 20 0 BDADRP CC[C@H](COC)[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001207835420 968896922 /nfs/dbraw/zinc/89/69/22/968896922.db2.gz CBQBETLIYSJQOA-FVCCEPFGSA-N 2 0 226.364 1.341 20 0 BDADRP CCC[N@H+]1C[C@@H]2C[NH+](C[C@H]3CCCO3)C[C@@H]2C1 ZINC001207894596 968916319 /nfs/dbraw/zinc/91/63/19/968916319.db2.gz QWVCVSOXJLVYMQ-HZSPNIEDSA-N 2 0 238.375 1.439 20 0 BDADRP CC(C)OCCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405375822 968986875 /nfs/dbraw/zinc/98/68/75/968986875.db2.gz BFNNMDWQBNRHED-VXGBXAGGSA-N 2 0 226.364 1.661 20 0 BDADRP C[NH+]1CCC(C)(C[N@@H+]2CC[C@@](F)(CO)C2)CC1 ZINC001208107885 969002143 /nfs/dbraw/zinc/00/21/43/969002143.db2.gz LKRQXIVKPSKSJM-ZDUSSCGKSA-N 2 0 244.354 1.125 20 0 BDADRP C[N@H+](CCF)CC1(C)CC[NH+](C)CC1 ZINC001208114894 969009606 /nfs/dbraw/zinc/00/96/06/969009606.db2.gz DIUAILDEJUOVCO-UHFFFAOYSA-N 2 0 202.317 1.620 20 0 BDADRP Cc1c[nH+]ccc1N1CCN(CC[NH+](C)C)CC1 ZINC001208128394 969023318 /nfs/dbraw/zinc/02/33/18/969023318.db2.gz DBWQHTAJMGTGEO-UHFFFAOYSA-N 2 0 248.374 1.074 20 0 BDADRP CC[NH+](CC)C[C@H](O)C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC001253188152 969107431 /nfs/dbraw/zinc/10/74/31/969107431.db2.gz QXWKTUNCVSGTGH-XQQFMLRXSA-N 2 0 226.364 1.173 20 0 BDADRP C[C@H](C[NH+](C)C)Nc1cc(N(C)C)cc[nH+]1 ZINC001155917585 969128772 /nfs/dbraw/zinc/12/87/72/969128772.db2.gz YSDVSIHBNHTNHU-SNVBAGLBSA-N 2 0 222.336 1.510 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CC[C@@H](O)C[C@H]2C)CC1 ZINC001208597075 969146352 /nfs/dbraw/zinc/14/63/52/969146352.db2.gz BSOFBYNSILCIJT-TZMCWYRMSA-N 2 0 240.391 1.564 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CC[C@@H](COC)C2)CC1 ZINC001208592085 969147412 /nfs/dbraw/zinc/14/74/12/969147412.db2.gz DDVRMVJUPGKJIZ-CQSZACIVSA-N 2 0 240.391 1.687 20 0 BDADRP CC[NH+]1CCC(C[N@H+](C)C2COC2)CC1 ZINC001208597972 969151447 /nfs/dbraw/zinc/15/14/47/969151447.db2.gz OLGSCFHNWCBSKZ-UHFFFAOYSA-N 2 0 212.337 1.049 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@](C)(O)C2)CC1 ZINC001208597714 969151617 /nfs/dbraw/zinc/15/16/17/969151617.db2.gz LKBWFQBAYKFRJP-AWEZNQCLSA-N 2 0 240.391 1.565 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CC[C@@](C)(CO)C2)CC1 ZINC001208593478 969151936 /nfs/dbraw/zinc/15/19/36/969151936.db2.gz TYECUTJFPBZLSG-CQSZACIVSA-N 2 0 240.391 1.423 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CC[C@@](C)(O)C2)CC1 ZINC001208593630 969152640 /nfs/dbraw/zinc/15/26/40/969152640.db2.gz YEXZVTRSMLPSRA-CYBMUJFWSA-N 2 0 226.364 1.175 20 0 BDADRP CCO[C@@H]1CC[N@H+](CC2CC[NH+](CC)CC2)C1 ZINC001208602827 969157409 /nfs/dbraw/zinc/15/74/09/969157409.db2.gz OKUFWJLTSAOTIE-CQSZACIVSA-N 2 0 240.391 1.829 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H](O)C2)C1 ZINC001208607654 969162899 /nfs/dbraw/zinc/16/28/99/969162899.db2.gz MLWXGMJSNYTBFU-CHWSQXEVSA-N 2 0 226.364 1.175 20 0 BDADRP CC(=O)CC(C)(C)[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253409456 969163214 /nfs/dbraw/zinc/16/32/14/969163214.db2.gz SSRXEXJQKCVPLZ-LLVKDONJSA-N 2 0 244.379 1.083 20 0 BDADRP C[C@H]1CC[C@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)CC1 ZINC001253406349 969164140 /nfs/dbraw/zinc/16/41/40/969164140.db2.gz HZBGLDAJAINYHJ-AVGNSLFASA-N 2 0 242.407 1.904 20 0 BDADRP CC/C=C\CCN(CC[NH+](C)C)CC[NH+](C)C ZINC001208729171 969217922 /nfs/dbraw/zinc/21/79/22/969217922.db2.gz NJXUAPJFKMAREN-FPLPWBNLSA-N 2 0 241.423 1.768 20 0 BDADRP [NH3+]CCc1cnn(-c2cccc3c2CC[C@@H]3[NH3+])c1 ZINC001168952062 969291710 /nfs/dbraw/zinc/29/17/10/969291710.db2.gz CSLJJYOJEFUUTO-ZDUSSCGKSA-N 2 0 242.326 1.320 20 0 BDADRP CCc1cc(-n2cc(CC[NH3+])cn2)cc[nH+]1 ZINC001168952676 969292719 /nfs/dbraw/zinc/29/27/19/969292719.db2.gz OVIIOGHMFMTCNO-UHFFFAOYSA-N 2 0 216.288 1.331 20 0 BDADRP C[N@H+]1C[C@@H]2C[NH+](CCCc3cccnc3)C[C@@H]2C1 ZINC001209181840 969374891 /nfs/dbraw/zinc/37/48/91/969374891.db2.gz GWEDPULMYNDOGE-GASCZTMLSA-N 2 0 245.370 1.508 20 0 BDADRP C[NH+]1[C@@H]2CC[C@H]1C[C@H](NC[C@@H]1CC[N@@H+](C)C1)C2 ZINC001169095744 969382826 /nfs/dbraw/zinc/38/28/26/969382826.db2.gz SKOIKEPDOLOTMF-XDQVBPFNSA-N 3 0 237.391 1.153 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C13CC(C1)C3)C2 ZINC001169093188 969385580 /nfs/dbraw/zinc/38/55/80/969385580.db2.gz FYKPUEZDJDYKEF-UOARYYOJSA-N 2 0 206.333 1.754 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@H]1CC(C)(C)O1)C2 ZINC001169097540 969388810 /nfs/dbraw/zinc/38/88/10/969388810.db2.gz BCTUKMLGMRHLMC-RVMXOQNASA-N 2 0 238.375 1.769 20 0 BDADRP C[C@H]1OCC[C@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169078825 969395048 /nfs/dbraw/zinc/39/50/48/969395048.db2.gz HSNPCPNFRQDGOP-ITGHMWBKSA-N 2 0 238.375 1.626 20 0 BDADRP CC(C)[C@@H](O)C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC001253778527 969399068 /nfs/dbraw/zinc/39/90/68/969399068.db2.gz SJYZZANECGYYAN-OLZOCXBDSA-N 2 0 228.380 1.325 20 0 BDADRP COC[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169078354 969399370 /nfs/dbraw/zinc/39/93/70/969399370.db2.gz DKTIHLPDDWBLLX-FIQHERPVSA-N 2 0 212.337 1.236 20 0 BDADRP COC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)C ZINC001169079140 969400356 /nfs/dbraw/zinc/40/03/56/969400356.db2.gz JBVYLZGLLCQPLO-YIYPIFLZSA-N 2 0 240.391 1.872 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCC[C@H]1O)C2 ZINC001169080327 969401421 /nfs/dbraw/zinc/40/14/21/969401421.db2.gz MNNKQLLBQOYZIH-UJPOAAIJSA-N 2 0 224.348 1.115 20 0 BDADRP CC1CC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169079825 969403221 /nfs/dbraw/zinc/40/32/21/969403221.db2.gz LVONMXWPLPFKFZ-SSYPOUIUSA-N 2 0 208.349 2.000 20 0 BDADRP C[C@@H]1C[C@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169079815 969403416 /nfs/dbraw/zinc/40/34/16/969403416.db2.gz LRUYEFBXEIFNMJ-MLGHIDQZSA-N 2 0 208.349 1.857 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1cnc(C[NH3+])c1)C2 ZINC001169080394 969404307 /nfs/dbraw/zinc/40/43/07/969404307.db2.gz NBWHFIPMQDOVOB-GDNZZTSVSA-N 2 0 220.320 1.140 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCC[C@@H](O)C1)C2 ZINC001169080427 969404525 /nfs/dbraw/zinc/40/45/25/969404525.db2.gz NGSDBUOYFWRUQX-RKQHYHRCSA-N 2 0 238.375 1.505 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[C@H]([NH3+])C1)C2 ZINC001169089796 969407378 /nfs/dbraw/zinc/40/73/78/969407378.db2.gz FYOPECNOSNSLMZ-RVMXOQNASA-N 2 0 223.364 1.035 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1ccc(CC[NH3+])n1)C2 ZINC001169091256 969409088 /nfs/dbraw/zinc/40/90/88/969409088.db2.gz PZOWIOLGTHTPAO-ITGUQSILSA-N 2 0 234.347 1.182 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](n1ccnc1CCC[NH3+])C2 ZINC001169122878 969420485 /nfs/dbraw/zinc/42/04/85/969420485.db2.gz FQZGBSPJNCFSLG-CLLJXQQHSA-N 2 0 248.374 1.572 20 0 BDADRP CO[C@H]1CC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169125960 969428897 /nfs/dbraw/zinc/42/88/97/969428897.db2.gz OHWXEICBXIAGAY-LOWDOPEQSA-N 2 0 224.348 1.332 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC(C)([NH3+])CC1)C2 ZINC001169106837 969447085 /nfs/dbraw/zinc/44/70/85/969447085.db2.gz AJTHQXIVWQRJCA-CLLJXQQHSA-N 2 0 237.391 1.425 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC([NH+]3CCCC3)C1)C2 ZINC001169141031 969452022 /nfs/dbraw/zinc/45/20/22/969452022.db2.gz OCTWARQGARGUEN-WDNDVIMCSA-N 2 0 249.402 1.392 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@]13CCOC3)C2 ZINC001169153030 969467947 /nfs/dbraw/zinc/46/79/47/969467947.db2.gz GCUTUUTYDZNOKF-XJFOESAGSA-N 2 0 236.359 1.476 20 0 BDADRP CO[C@@H](C)C1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169154422 969471772 /nfs/dbraw/zinc/47/17/72/969471772.db2.gz QDGFDLRHOJEFRJ-SCUASFONSA-N 2 0 238.375 1.578 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001209426858 969493072 /nfs/dbraw/zinc/49/30/72/969493072.db2.gz GQEJRZFGMKBSOS-VXGBXAGGSA-N 2 0 208.349 1.670 20 0 BDADRP C[C@H]([NH3+])c1ccn(-c2ccc([C@H](C)[NH3+])cc2)n1 ZINC001169232356 969511125 /nfs/dbraw/zinc/51/11/25/969511125.db2.gz DTOBGUPJLFKCCB-UWVGGRQHSA-N 2 0 230.315 1.912 20 0 BDADRP C[C@@H]([NH3+])c1ccn(-c2ccc(C3([NH3+])CC3)cc2)n1 ZINC001169232707 969514737 /nfs/dbraw/zinc/51/47/37/969514737.db2.gz ITMXILHOBIOBKL-SNVBAGLBSA-N 2 0 242.326 1.840 20 0 BDADRP CC[NH+]1CCC(N2C[C@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC001169250120 969539149 /nfs/dbraw/zinc/53/91/49/969539149.db2.gz OBOSPWFQRPHGLX-QWHCGFSZSA-N 2 0 239.407 1.495 20 0 BDADRP C[NH+](C)C1CCN(Cc2c[nH+]ccc2N)CC1 ZINC001209727922 969579637 /nfs/dbraw/zinc/57/96/37/969579637.db2.gz OSYGKPMUQKGRTG-UHFFFAOYSA-N 2 0 234.347 1.020 20 0 BDADRP [NH3+]Cc1cnnn1-c1ccc(C2([NH3+])CCC2)cc1 ZINC001169310214 969583931 /nfs/dbraw/zinc/58/39/31/969583931.db2.gz PRPZLDRUQGSNKS-UHFFFAOYSA-N 2 0 243.314 1.064 20 0 BDADRP CC(C)[N@@H+]1CCN(Cc2c[nH+]ccc2N)C[C@@H]1C ZINC001209733136 969593830 /nfs/dbraw/zinc/59/38/30/969593830.db2.gz IOJZYUIKBTWFEE-LBPRGKRZSA-N 2 0 248.374 1.409 20 0 BDADRP CC[N@H+]1C[C@@H]2C[NH+]([C@H]3CCCOC3)C[C@@H]2C1 ZINC001254387175 969604715 /nfs/dbraw/zinc/60/47/15/969604715.db2.gz GAFSOMOHYBUBIX-XQQFMLRXSA-N 2 0 224.348 1.049 20 0 BDADRP c1cn(C2CC[NH+](Cc3cnccn3)CC2)cn1 ZINC001209786883 969623583 /nfs/dbraw/zinc/62/35/83/969623583.db2.gz LWYYVNMFUCXROM-UHFFFAOYSA-N 2 0 243.314 1.510 20 0 BDADRP Cc1nc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c[nH]1 ZINC001206011832 969638562 /nfs/dbraw/zinc/63/85/62/969638562.db2.gz GTFKVFVZHAJGTQ-ZYHUDNBSSA-N 2 0 236.363 1.525 20 0 BDADRP C[N@@H+]1CCC[C@H](Nc2cccnc2C[NH3+])CC1 ZINC001254507754 969652740 /nfs/dbraw/zinc/65/27/40/969652740.db2.gz CXGMCNJSQMLGAB-NSHDSACASA-N 2 0 234.347 1.437 20 0 BDADRP Cc1cc(C[NH3+])nn1[C@@H]1CCC[N@@H+](C)CC1 ZINC001254499936 969659900 /nfs/dbraw/zinc/65/99/00/969659900.db2.gz QKBZQNFDNCVKGG-GFCCVEGCSA-N 2 0 222.336 1.307 20 0 BDADRP C[NH+](C)CCCCC[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001254500670 969659973 /nfs/dbraw/zinc/65/99/73/969659973.db2.gz XRSZKBBJJFXJPE-CQSZACIVSA-N 3 0 241.423 1.792 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+]C2(CO)CCCC2)CC1 ZINC001254500128 969661282 /nfs/dbraw/zinc/66/12/82/969661282.db2.gz FSLLPIHJINZEAM-GFCCVEGCSA-N 2 0 226.364 1.365 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccccc2CO)CC1 ZINC001254502015 969665179 /nfs/dbraw/zinc/66/51/79/969665179.db2.gz AZZKCEJMOYEMET-HNNXBMFYSA-N 2 0 248.370 1.753 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccccc2CO)CC1 ZINC001254502020 969665505 /nfs/dbraw/zinc/66/55/05/969665505.db2.gz AZZKCEJMOYEMET-OAHLLOKOSA-N 2 0 248.370 1.753 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](C)N1C[C@@H]([NH3+])c1ccccc1 ZINC001209856503 969666989 /nfs/dbraw/zinc/66/69/89/969666989.db2.gz HTENCNMAFOMWFS-MBNYWOFBSA-N 2 0 233.359 1.369 20 0 BDADRP C[C@@H](CO)CC[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001254510514 969679278 /nfs/dbraw/zinc/67/92/78/969679278.db2.gz XFPCNMNVRFNACB-VXGBXAGGSA-N 2 0 214.353 1.079 20 0 BDADRP CN(CCC[NH+](C)C)[C@H]1CCC[N@H+](C)CC1 ZINC001254515663 969688655 /nfs/dbraw/zinc/68/86/55/969688655.db2.gz ANFWSZGCQKNVCY-ZDUSSCGKSA-N 2 0 227.396 1.354 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+]C[C@H](O)c2ccncc2)CC1 ZINC001254514032 969691820 /nfs/dbraw/zinc/69/18/20/969691820.db2.gz IOSFZCKXGDZUBC-KGLIPLIRSA-N 2 0 249.358 1.189 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH+]2CC[C@@H]3CCO[C@H]3C2)CC1 ZINC001254518587 969697977 /nfs/dbraw/zinc/69/79/77/969697977.db2.gz CDOASDJQYBKVFI-RDBSUJKOSA-N 2 0 238.375 1.582 20 0 BDADRP C[N@H+](C[C@H]1CCCCO1)[C@H]1CCC[NH+](C)CC1 ZINC001254522582 969709210 /nfs/dbraw/zinc/70/92/10/969709210.db2.gz HKIXQACJLYXNDO-UONOGXRCSA-N 2 0 240.391 1.972 20 0 BDADRP CC[N@H+](C1CCOCC1)[C@@H]1CCC[NH+](C)CC1 ZINC001254522924 969712660 /nfs/dbraw/zinc/71/26/60/969712660.db2.gz KPFYWMJFJFETKY-CYBMUJFWSA-N 2 0 240.391 1.972 20 0 BDADRP CC[C@@]12C[C@@H](CO1)[N@@H+]([C@@H]1CCC[NH+](C)CC1)C2 ZINC001254530361 969734389 /nfs/dbraw/zinc/73/43/89/969734389.db2.gz WNBZLPQCCRQDRC-RDBSUJKOSA-N 2 0 238.375 1.724 20 0 BDADRP [NH3+]Cc1cc(NCC[C@H]2CCC[NH2+]2)ccn1 ZINC001169568109 969766862 /nfs/dbraw/zinc/76/68/62/969766862.db2.gz QXNANFLPLWNBER-SNVBAGLBSA-N 2 0 220.320 1.094 20 0 BDADRP Nc1[nH]c2ccc(NCC[C@H]3CCC[NH2+]3)cc2[nH+]1 ZINC001169568481 969767038 /nfs/dbraw/zinc/76/70/38/969767038.db2.gz XWCTYLMCGYEYPE-SECBINFHSA-N 2 0 245.330 1.699 20 0 BDADRP Cc1cnc(C[NH3+])n1[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254840710 969800832 /nfs/dbraw/zinc/80/08/32/969800832.db2.gz MJYRJOCLLYWSOJ-GFCCVEGCSA-N 2 0 234.347 1.307 20 0 BDADRP CN([C@@H]1CC[N@H+](C)C1)[C@H]1CC2CC[NH+](CC2)C1 ZINC001254859129 969810950 /nfs/dbraw/zinc/81/09/50/969810950.db2.gz BVDIFLXHDVKWDS-KGLIPLIRSA-N 2 0 237.391 1.107 20 0 BDADRP CN(C)[C@H]1CCCC[C@@H]1[NH2+][C@H]1CCSC1 ZINC001255270882 970023196 /nfs/dbraw/zinc/02/31/96/970023196.db2.gz MVRREUITUCFBMO-SRVKXCTJSA-N 2 0 228.405 1.954 20 0 BDADRP C[NH+](C)[C@H]1CC[C@H]([NH2+][C@H]2CCSC2)CC1 ZINC001255274688 970027395 /nfs/dbraw/zinc/02/73/95/970027395.db2.gz OOQZCJWWVWWTIA-SRVKXCTJSA-N 2 0 228.405 1.954 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+]([C@H]3CCSC3)C[C@@H]2C1 ZINC001255287147 970042481 /nfs/dbraw/zinc/04/24/81/970042481.db2.gz VRRNQLFCKNCYJS-WOPDTQHZSA-N 2 0 226.389 1.375 20 0 BDADRP CN(c1ccc(C[NH+](C)C)cn1)C(C)(C)C[NH3+] ZINC001170056207 970096801 /nfs/dbraw/zinc/09/68/01/970096801.db2.gz QSIHVGHPXQBBOF-UHFFFAOYSA-N 2 0 236.363 1.317 20 0 BDADRP CN1CC[C@H]([NH2+]CCCCC[NH+](C)C)C1 ZINC001255413485 970131406 /nfs/dbraw/zinc/13/14/06/970131406.db2.gz WFMBHQZIJIUHNV-LBPRGKRZSA-N 2 0 213.369 1.012 20 0 BDADRP CCC[NH+](CCC)CCN[C@@H]1CC[N@H+](C)C1 ZINC001255413532 970135821 /nfs/dbraw/zinc/13/58/21/970135821.db2.gz XJYDDPQPPXFDRJ-CYBMUJFWSA-N 2 0 227.396 1.402 20 0 BDADRP C[N@@H+]1CC[C@H](Nc2ccc(CC[NH3+])cc2)C1 ZINC001255413535 970136160 /nfs/dbraw/zinc/13/61/60/970136160.db2.gz XLEYYNOPRZDJRP-ZDUSSCGKSA-N 2 0 219.332 1.304 20 0 BDADRP C[N@@H+]1CC[C@@H](n2ncc3cccc(C[NH3+])c32)C1 ZINC001255417734 970139123 /nfs/dbraw/zinc/13/91/23/970139123.db2.gz OVHVOHGAXQLWSG-GFCCVEGCSA-N 2 0 230.315 1.372 20 0 BDADRP C[N@@H+]1CC[C@@H](n2cc(CC[NH3+])c3c[nH+]ccc32)C1 ZINC001255422563 970146930 /nfs/dbraw/zinc/14/69/30/970146930.db2.gz ZNLPQGRDFQKICH-GFCCVEGCSA-N 2 0 244.342 1.414 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCN(C)C2)[C@H](C)C1 ZINC001255425461 970150728 /nfs/dbraw/zinc/15/07/28/970150728.db2.gz GNUDTNAFAOYPGH-MGPQQGTHSA-N 2 0 239.407 1.399 20 0 BDADRP CN1CC[C@H]([N@@H+]2CCCC[C@@H](CCC[NH3+])C2)C1 ZINC001255425695 970151170 /nfs/dbraw/zinc/15/11/70/970151170.db2.gz IQRLEZJYUMEBCZ-KBPBESRZSA-N 2 0 239.407 1.532 20 0 BDADRP C[NH2+]Cc1cccc(-n2c[nH+]cc2N)c1 ZINC001211137778 970159793 /nfs/dbraw/zinc/15/97/93/970159793.db2.gz QLMMSQLIMHLFFI-UHFFFAOYSA-N 2 0 202.261 1.174 20 0 BDADRP COC1CCC([N@H+]2CCc3nccn3CC2)CC1 ZINC001255463282 970192027 /nfs/dbraw/zinc/19/20/27/970192027.db2.gz KVTUDYJXIBCVOU-UHFFFAOYSA-N 2 0 249.358 1.699 20 0 BDADRP C[N@@H+]1CCC[C@@H](n2cnc3ccc(C[NH3+])cc32)C1 ZINC001255470382 970197215 /nfs/dbraw/zinc/19/72/15/970197215.db2.gz MZGQLZWUHXLMHL-GFCCVEGCSA-N 2 0 244.342 1.762 20 0 BDADRP CN1CCC[C@@H]([NH2+]CCCCCCC[NH3+])C1 ZINC001255473013 970202162 /nfs/dbraw/zinc/20/21/62/970202162.db2.gz MYAJPIAWUCHPMO-CYBMUJFWSA-N 2 0 227.396 1.579 20 0 BDADRP C[NH2+]Cc1cccc(N[C@@H]2CCC[N@H+](C)C2)c1 ZINC001255490805 970240964 /nfs/dbraw/zinc/24/09/64/970240964.db2.gz YAXOCFMCURMDQC-CQSZACIVSA-N 2 0 233.359 1.912 20 0 BDADRP C[C@H]1CC[C@H]([NH2+]CC2CC[NH+](CCO)CC2)C1 ZINC001170100855 970291453 /nfs/dbraw/zinc/29/14/53/970291453.db2.gz MGXIZMBIRMRKNO-JSGCOSHPSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@@H]1CC[C@H]([NH+]2CCN(CCC[NH3+])CC2)C1 ZINC001170101696 970293284 /nfs/dbraw/zinc/29/32/84/970293284.db2.gz OWERXUQTXOJKCB-OLZOCXBDSA-N 2 0 225.380 1.141 20 0 BDADRP CC[NH+](CC)CCN(CC[NH3+])[C@@H]1CC[C@@H](C)C1 ZINC001170102096 970298305 /nfs/dbraw/zinc/29/83/05/970298305.db2.gz RHURFUAJQHZYFE-ZIAGYGMSSA-N 2 0 241.423 1.778 20 0 BDADRP CCCC[N@H+](C)CCC[NH2+][C@H](C)COC ZINC001255557641 970335458 /nfs/dbraw/zinc/33/54/58/970335458.db2.gz YDVNXVIQQSAKMR-GFCCVEGCSA-N 2 0 216.369 1.733 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000690417072 970517743 /nfs/dbraw/zinc/51/77/43/970517743.db2.gz VVBGFWPGUSSILF-QWHCGFSZSA-N 2 0 226.364 1.474 20 0 BDADRP CC[C@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)CCO1 ZINC001170169682 970542859 /nfs/dbraw/zinc/54/28/59/970542859.db2.gz OZEKCYFLCXXNNV-RDBSUJKOSA-N 2 0 240.391 1.875 20 0 BDADRP COC(=O)[C@H](C[NH3+])C[NH2+]C1CCCCCC1 ZINC001255881624 970542685 /nfs/dbraw/zinc/54/26/85/970542685.db2.gz RFNAOIDRTFPTCG-SNVBAGLBSA-N 2 0 228.336 1.047 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)NCC[NH+](C)C ZINC001255940082 970571321 /nfs/dbraw/zinc/57/13/21/970571321.db2.gz OBSSXYIKGKYHPO-GFCCVEGCSA-N 2 0 215.385 1.258 20 0 BDADRP Cc1nn(C)cc1C[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000400318094 970573724 /nfs/dbraw/zinc/57/37/24/970573724.db2.gz ARXNRTYBNLXEDJ-SNVBAGLBSA-N 2 0 236.363 1.206 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCSC1)C1CC[NH2+]CC1 ZINC000400347421 970580672 /nfs/dbraw/zinc/58/06/72/970580672.db2.gz KZXGTLDZFUBBRM-WDEREUQCSA-N 2 0 228.405 1.717 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000400468711 970593966 /nfs/dbraw/zinc/59/39/66/970593966.db2.gz XAIICRCUICEIGE-SGMGOOAPSA-N 2 0 239.407 1.447 20 0 BDADRP CCN([C@H](C)CC[NH+](CC)CC)C1CN(C)C1 ZINC001255971752 970609110 /nfs/dbraw/zinc/60/91/10/970609110.db2.gz KPNQHWHDQOJIRJ-CYBMUJFWSA-N 2 0 241.423 1.743 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N1CC[C@]12CCOC2 ZINC001255973445 970609489 /nfs/dbraw/zinc/60/94/89/970609489.db2.gz ZSCCQABWOLVZFF-ZIAGYGMSSA-N 2 0 240.391 1.972 20 0 BDADRP Cc1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)[nH]n1 ZINC001256043068 970621293 /nfs/dbraw/zinc/62/12/93/970621293.db2.gz STFUFDROAHDONR-UHFFFAOYSA-N 2 0 248.374 1.682 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ncc[nH]1 ZINC000401118612 970658508 /nfs/dbraw/zinc/65/85/08/970658508.db2.gz IWIDAJDCWBMVNC-IRCOFANPSA-N 2 0 234.347 1.448 20 0 BDADRP Cc1[nH]c2ccc(NCC3C[NH+](C)C3)cc2[nH+]1 ZINC001170254812 970668468 /nfs/dbraw/zinc/66/84/68/970668468.db2.gz SXQDKDKYKHDQQI-UHFFFAOYSA-N 2 0 230.315 1.845 20 0 BDADRP C[NH+]1CC(CNc2ccc3c(c2)C[NH2+]C3)C1 ZINC001170254490 970670808 /nfs/dbraw/zinc/67/08/08/970670808.db2.gz NIIPIDFEMGXQLC-UHFFFAOYSA-N 2 0 217.316 1.263 20 0 BDADRP COc1cccc(C[C@H](C)[NH2+]CCCC[NH3+])c1 ZINC001256146324 970672857 /nfs/dbraw/zinc/67/28/57/970672857.db2.gz WSEBLVFPPHDNPX-LBPRGKRZSA-N 2 0 236.359 1.955 20 0 BDADRP COc1cccc(C[C@H](C)[NH2+]C2CC([NH3+])C2)c1 ZINC001256150430 970674852 /nfs/dbraw/zinc/67/48/52/970674852.db2.gz HDNLHHFRDLNKNC-PKSQDBQZSA-N 2 0 234.343 1.706 20 0 BDADRP C[C@@H]1C[C@H](F)C[N@@H+]1C1CCN(C)CC1 ZINC001256202654 970701841 /nfs/dbraw/zinc/70/18/41/970701841.db2.gz KGIXFQKLSJICFW-ZJUUUORDSA-N 2 0 200.301 1.513 20 0 BDADRP CN1CCC([N@@H+]2CC[C@@H](c3cccnc3)C2)CC1 ZINC001256207939 970708021 /nfs/dbraw/zinc/70/80/21/970708021.db2.gz ZIEMMXHECLXSEX-CQSZACIVSA-N 2 0 245.370 1.965 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3n[nH]cc32)C1 ZINC000401664828 970714881 /nfs/dbraw/zinc/71/48/81/970714881.db2.gz WRIYDOFOUIUCMQ-DGCLKSJQSA-N 2 0 248.374 1.719 20 0 BDADRP CC(C)CC[C@H](C)[NH2+]CCC[N@H+](C)CCO ZINC001256360677 970762182 /nfs/dbraw/zinc/76/21/82/970762182.db2.gz KLPOGQFOQBRCCQ-ZDUSSCGKSA-N 2 0 230.396 1.715 20 0 BDADRP Cc1ncccc1C[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222531953 972545386 /nfs/dbraw/zinc/54/53/86/972545386.db2.gz GUEYSRXRHPEXMW-UHFFFAOYSA-N 2 0 237.322 1.653 20 0 BDADRP [NH3+]CC1(F)CC[NH+](CCC2CC2)CC1 ZINC001222528461 972545580 /nfs/dbraw/zinc/54/55/80/972545580.db2.gz WRCXIPIXIICKCE-UHFFFAOYSA-N 2 0 200.301 1.549 20 0 BDADRP Cc1nccnc1C[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222537437 972551766 /nfs/dbraw/zinc/55/17/66/972551766.db2.gz CAKHJOFBGDDTDV-UHFFFAOYSA-N 2 0 238.310 1.048 20 0 BDADRP [NH3+][C@@H](C[NH2+]CCc1ccc(F)cc1F)C1CC1 ZINC001327414955 972572336 /nfs/dbraw/zinc/57/23/36/972572336.db2.gz GHXJMFJIIRURKZ-ZDUSSCGKSA-N 2 0 240.297 1.834 20 0 BDADRP COC[C@@H](C)[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246545548 972634167 /nfs/dbraw/zinc/63/41/67/972634167.db2.gz BVEDIIXGIDYQHZ-MNOVXSKESA-N 2 0 218.316 1.174 20 0 BDADRP COC(=O)CC[C@@H](C)[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246548331 972680912 /nfs/dbraw/zinc/68/09/12/972680912.db2.gz FXUDATRRRYWLJT-YPMHNXCESA-N 2 0 242.363 1.531 20 0 BDADRP C[NH2+]C1CCC([N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)CC1 ZINC001246548428 972685829 /nfs/dbraw/zinc/68/58/29/972685829.db2.gz GMDVCNLXEQYXHL-MRFVTOPCSA-N 3 0 239.407 1.434 20 0 BDADRP CC[N@@H+]1CCC[C@H](CN[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC001327710484 972710812 /nfs/dbraw/zinc/71/08/12/972710812.db2.gz GIGZFWGEWTXHGL-RDBSUJKOSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@@H]1C[C@H]([N@H+]2CC[C@@H](O)[C@@H](C)CC2)CC[NH2+]1 ZINC001246551913 972730380 /nfs/dbraw/zinc/73/03/80/972730380.db2.gz NVVWNFMKJMAQBY-UMSGYPCISA-N 2 0 226.364 1.220 20 0 BDADRP C[C@@H]1CC[N@@H+]([C@@H]2COC(C)(C)C2)CC[C@@H]1C[NH3+] ZINC001246554917 972754120 /nfs/dbraw/zinc/75/41/20/972754120.db2.gz CZQPCHQYXUMOJB-UPJWGTAASA-N 2 0 240.391 1.861 20 0 BDADRP C[C@H]1C[C@H](N2CCC[C@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246556160 972763268 /nfs/dbraw/zinc/76/32/68/972763268.db2.gz YKIHAHFHOBAKJM-XQQFMLRXSA-N 2 0 225.380 1.330 20 0 BDADRP CC(C)([NH3+])CNc1ccc(C2([NH3+])CC2)cc1 ZINC001171192938 972840256 /nfs/dbraw/zinc/84/02/56/972840256.db2.gz OJIQYEZDOOXHQW-UHFFFAOYSA-N 2 0 219.332 1.784 20 0 BDADRP CC(C)([NH3+])CNc1ccc2c(c1)COC21C[NH2+]C1 ZINC001171193668 972845373 /nfs/dbraw/zinc/84/53/73/972845373.db2.gz DTMZEYWGAOGCII-UHFFFAOYSA-N 2 0 247.342 1.165 20 0 BDADRP CC(C)([NH3+])CNc1cccc2c1CC[C@@H]2[NH3+] ZINC001171194452 972848668 /nfs/dbraw/zinc/84/86/68/972848668.db2.gz NWNLUNXZQARLQA-NSHDSACASA-N 2 0 219.332 1.782 20 0 BDADRP CC1(C)C[C@H](N2C[C@@H]([NH3+])CC(F)(F)C2)CC[NH2+]1 ZINC001246577366 972882909 /nfs/dbraw/zinc/88/29/09/972882909.db2.gz VUAFRIVLIZJPIZ-VHSXEESVSA-N 2 0 247.333 1.185 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@@H+]([C@@H]2CCSC2)CC1 ZINC001246577885 972893277 /nfs/dbraw/zinc/89/32/77/972893277.db2.gz QQTDZFMIVKABQH-NEPJUHHUSA-N 2 0 228.405 1.943 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@@H+]([C@H]2CCSC2)CC1 ZINC001246577893 972895688 /nfs/dbraw/zinc/89/56/88/972895688.db2.gz QQTDZFMIVKABQH-NWDGAFQWSA-N 2 0 228.405 1.943 20 0 BDADRP C[C@@H]1CC[C@H](N2CCCC[C@](C)(C[NH3+])C2)C[NH2+]1 ZINC001246584481 972961628 /nfs/dbraw/zinc/96/16/28/972961628.db2.gz NECICLHYCQEJQO-HZSPNIEDSA-N 2 0 239.407 1.578 20 0 BDADRP CC(C)=CCC[C@@H](C)[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246586940 972977542 /nfs/dbraw/zinc/97/75/42/972977542.db2.gz UUGQLNHHLVIMFV-AGIUHOORSA-N 2 0 226.364 1.373 20 0 BDADRP C[C@@H]1C[C@@H](N2CC[NH2+]C[C@H]2c2ccccc2)C[NH2+]1 ZINC001246596288 973007804 /nfs/dbraw/zinc/00/78/04/973007804.db2.gz WILYIDXSSMUXOT-YUELXQCFSA-N 2 0 245.370 1.383 20 0 BDADRP CCCC[C@@H]1C[C@H](N2CC(C[NH2+]C)C2)CC[NH2+]1 ZINC001246597583 973012764 /nfs/dbraw/zinc/01/27/64/973012764.db2.gz NOTQDKYNOPQCPJ-ZIAGYGMSSA-N 2 0 239.407 1.448 20 0 BDADRP C[NH2+]CC[C@H](C)[NH+]1CCC2(CCC[NH2+]C2)CC1 ZINC001246611848 973032672 /nfs/dbraw/zinc/03/26/72/973032672.db2.gz CWGXMDYKZNWUNX-ZDUSSCGKSA-N 3 0 239.407 1.450 20 0 BDADRP C1C[NH2+][C@]2(C1)CCCN([C@@H]1CCCC[NH2+]C1)C2 ZINC001246615663 973034263 /nfs/dbraw/zinc/03/42/63/973034263.db2.gz DUAHYXNNEAGSQU-ZIAGYGMSSA-N 2 0 237.391 1.347 20 0 BDADRP C1C[C@@H]2[C@H](CC[N@@H+]2[C@H]2CCC[C@]3(CC[NH2+]C3)C2)[NH2+]1 ZINC001246627911 973043773 /nfs/dbraw/zinc/04/37/73/973043773.db2.gz AWRPRQATZMDUOJ-XQLPTFJDSA-N 2 0 249.402 1.345 20 0 BDADRP C1C[C@@H]2[C@H](CC[N@@H+]2[C@@H]2CCC3(C2)CC[NH2+]CC3)[NH2+]1 ZINC001246634984 973048822 /nfs/dbraw/zinc/04/88/22/973048822.db2.gz PNAYXLPNNQXTLN-HZSPNIEDSA-N 3 0 249.402 1.345 20 0 BDADRP CC[C@H]1C[C@@H](N2C[C@H]3CCC[C@@]3([NH3+])C2)CC[NH2+]1 ZINC001246668629 973074368 /nfs/dbraw/zinc/07/43/68/973074368.db2.gz ZVNYGVMBQLWPFF-ZOBORPQBSA-N 2 0 237.391 1.330 20 0 BDADRP CC[C@@H]1C[C@H](N(C)[C@H]2CC[NH2+]C2)C[C@H](CC)[NH2+]1 ZINC001246803033 973102535 /nfs/dbraw/zinc/10/25/35/973102535.db2.gz LZORWBSFRSNQEK-RFQIPJPRSA-N 2 0 239.407 1.589 20 0 BDADRP CC[NH2+]C1CCN([C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246800667 973104209 /nfs/dbraw/zinc/10/42/09/973104209.db2.gz GAMQZHIVQGYJPV-WCQYABFASA-N 2 0 225.380 1.201 20 0 BDADRP C1C[C@]2(CCC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)O1 ZINC001246828701 973118250 /nfs/dbraw/zinc/11/82/50/973118250.db2.gz FXKQSGACSLEXBX-PIGZVRMJSA-N 2 0 236.359 1.524 20 0 BDADRP CN(C1C[NH2+]C1)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246834271 973127601 /nfs/dbraw/zinc/12/76/01/973127601.db2.gz TURWHLJCQQOEEK-PWSUYJOCSA-N 2 0 225.380 1.057 20 0 BDADRP CC(C)C[C@@H](C)C[C@H](C)N(CC[NH3+])CC[NH3+] ZINC001246835176 973130946 /nfs/dbraw/zinc/13/09/46/973130946.db2.gz VUUCSQMYCHULQF-OLZOCXBDSA-N 2 0 229.412 1.667 20 0 BDADRP CN(C1C[NH2+]C1)[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246834280 973131757 /nfs/dbraw/zinc/13/17/57/973131757.db2.gz TVYAABDTTVOYKR-GFCCVEGCSA-N 2 0 237.391 1.345 20 0 BDADRP CC[C@@H]1C[C@H](N2C[C@@H](C)C[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246860294 973170143 /nfs/dbraw/zinc/17/01/43/973170143.db2.gz GJMKCRGCKQTYSL-WUHRBBMRSA-N 2 0 225.380 1.186 20 0 BDADRP CO[C@@H]1CCC[C@H]([N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)C1 ZINC001246854880 973174454 /nfs/dbraw/zinc/17/44/54/973174454.db2.gz REOXLGWWSJJIJP-YVECIDJPSA-N 2 0 224.348 1.367 20 0 BDADRP C[C@H]1C[C@H](n2cncc2C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246866984 973229903 /nfs/dbraw/zinc/22/99/03/973229903.db2.gz LPYGZTLPUXUOJJ-WCQYABFASA-N 2 0 248.374 1.663 20 0 BDADRP CC[C@H]([NH3+])C[N@@H+]1C[C@@H]2CNc3ccccc3[C@H]2C1 ZINC001224119982 973457638 /nfs/dbraw/zinc/45/76/38/973457638.db2.gz WDEPRIADUISTSD-OBJOEFQTSA-N 2 0 245.370 1.865 20 0 BDADRP C1[NH2+][C@@H]2CN([C@H]3CC[NH2+]C4(CCCCC4)C3)C[C@H]12 ZINC001246934342 973599935 /nfs/dbraw/zinc/59/99/35/973599935.db2.gz URCUDYFFOGKCBV-MELADBBJSA-N 2 0 249.402 1.345 20 0 BDADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CCF)C1 ZINC001329375715 973714561 /nfs/dbraw/zinc/71/45/61/973714561.db2.gz NXZRWUSBBAJDEG-NSHDSACASA-N 2 0 202.317 1.653 20 0 BDADRP C1C[C@H](N([C@H]2CC[NH2+]C2)C2CCCCC2)C[NH2+]1 ZINC001246975227 973716003 /nfs/dbraw/zinc/71/60/03/973716003.db2.gz BKUDHOIFHSQIJQ-KBPBESRZSA-N 2 0 237.391 1.345 20 0 BDADRP CC[C@H]([NH3+])C[N@H+](C)[C@H](C)CCOC(C)C ZINC001246980553 973727355 /nfs/dbraw/zinc/72/73/55/973727355.db2.gz JAEKKBOKEHDVRE-NEPJUHHUSA-N 2 0 216.369 1.859 20 0 BDADRP C[C@@H]1C[C@H](N2CC[NH2+]C3=CCCC[C@H]32)C[NH2+]1 ZINC001246998479 973796821 /nfs/dbraw/zinc/79/68/21/973796821.db2.gz XISMPGUUIJICDB-NTZNESFSSA-N 2 0 221.348 1.078 20 0 BDADRP C[C@H](CCCC[NH3+])NC(=O)[C@@H](C)n1ccnc1 ZINC001329569688 973831385 /nfs/dbraw/zinc/83/13/85/973831385.db2.gz OOEMFPGILWCKDF-GHMZBOCLSA-N 2 0 238.335 1.078 20 0 BDADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)CC(C)(C)[NH3+] ZINC001329569935 973831473 /nfs/dbraw/zinc/83/14/73/973831473.db2.gz PTYWYXBJWCHKNO-WDEREUQCSA-N 2 0 241.379 1.103 20 0 BDADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)CC(C)(C)[NH3+] ZINC001329569932 973831946 /nfs/dbraw/zinc/83/19/46/973831946.db2.gz PTYWYXBJWCHKNO-QWRGUYRKSA-N 2 0 241.379 1.103 20 0 BDADRP Cc1[nH+]ccc(NC[C@@H]2CCCC[NH2+]2)c1F ZINC001171336181 973885045 /nfs/dbraw/zinc/88/50/45/973885045.db2.gz YLGLKIQYBXKUKE-JTQLQIEISA-N 2 0 223.295 1.505 20 0 BDADRP [NH3+]CCCCNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC001329923969 974025925 /nfs/dbraw/zinc/02/59/25/974025925.db2.gz NGQMSDKTCDHZSH-CYBMUJFWSA-N 2 0 247.342 1.076 20 0 BDADRP C[C@H](O)[C@H](C)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001171554454 974099592 /nfs/dbraw/zinc/09/95/92/974099592.db2.gz HQABXWHPJAEYAI-STQMWFEESA-N 2 0 249.358 1.363 20 0 BDADRP Cc1cccc2c1CC[C@H]([NH2+]CCOCC[NH3+])C2 ZINC001171553156 974100668 /nfs/dbraw/zinc/10/06/68/974100668.db2.gz OBFPASDDTUXHOW-AWEZNQCLSA-N 2 0 248.370 1.417 20 0 BDADRP C[NH+]1C(C)(C)CC(NC2(C[NH3+])CC2)CC1(C)C ZINC001171631013 974107907 /nfs/dbraw/zinc/10/79/07/974107907.db2.gz UEHHXNJSWYNWCM-UHFFFAOYSA-N 2 0 239.407 1.719 20 0 BDADRP C[NH+]1C(C)(C)CC([NH2+][C@H]2C[C@H](O)C2)CC1(C)C ZINC001171621093 974114526 /nfs/dbraw/zinc/11/45/26/974114526.db2.gz JSDAWTCJZQVIJD-UMSPYCQHSA-N 2 0 240.391 1.751 20 0 BDADRP C[C@@H](CO)[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171618003 974115850 /nfs/dbraw/zinc/11/58/50/974115850.db2.gz TZJAWRAZBLSJFE-JTQLQIEISA-N 2 0 228.380 1.608 20 0 BDADRP C[N@@H+]1CC[C@@H](C[NH2+][C@H]2Cc3cccc(F)c3C2)C1 ZINC001171773304 974158969 /nfs/dbraw/zinc/15/89/69/974158969.db2.gz JETDJBQCUXGZDK-AAEUAGOBSA-N 2 0 248.345 1.834 20 0 BDADRP Cn1cncc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172099459 974336623 /nfs/dbraw/zinc/33/66/23/974336623.db2.gz IAKYWOJILNKNLX-CLLJXQQHSA-N 2 0 248.374 1.525 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](n1cncc1C[NH3+])C2 ZINC001172100437 974346547 /nfs/dbraw/zinc/34/65/47/974346547.db2.gz QNSOTPVUECKHKF-ZSBIGDGJSA-N 2 0 234.347 1.530 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1cnc(C[NH3+])c1)C2 ZINC001172099888 974347111 /nfs/dbraw/zinc/34/71/11/974347111.db2.gz NTEODASJHDDZML-ITGUQSILSA-N 2 0 234.347 1.530 20 0 BDADRP C[NH+]1CC2(CN([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)C1 ZINC001172132896 974357044 /nfs/dbraw/zinc/35/70/44/974357044.db2.gz PWKQNCIMJUODRV-BTTYYORXSA-N 2 0 249.402 1.249 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCn1cccn1)C2 ZINC001172102878 974359492 /nfs/dbraw/zinc/35/94/92/974359492.db2.gz QBNMEOSKTJLXDR-BTTYYORXSA-N 2 0 248.374 1.488 20 0 BDADRP CN([C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(C)(C)C[NH3+] ZINC001172107605 974368600 /nfs/dbraw/zinc/36/86/00/974368600.db2.gz FTJNVPDFWHUGOF-ITGUQSILSA-N 2 0 239.407 1.671 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC=CC1)C2 ZINC001172114716 974379925 /nfs/dbraw/zinc/37/99/25/974379925.db2.gz SLQMFSXQHFXLRR-ITGUQSILSA-N 2 0 206.333 1.874 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC(C)(CO)C1)C2 ZINC001172120038 974385456 /nfs/dbraw/zinc/38/54/56/974385456.db2.gz JEKHNKAIZKKRNK-ITGUQSILSA-N 2 0 238.375 1.316 20 0 BDADRP C[C@@H]1CN(C)CC[C@H]1[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172235479 974496647 /nfs/dbraw/zinc/49/66/47/974496647.db2.gz BCDBSHGDEXYZMC-RKFYDKJMSA-N 2 0 236.359 1.402 20 0 BDADRP CCOCC[C@@H](C)[NH2+]CCC[NH+](C)C ZINC001172405650 974661308 /nfs/dbraw/zinc/66/13/08/974661308.db2.gz AVQMJHUOPSLKNP-LLVKDONJSA-N 2 0 202.342 1.343 20 0 BDADRP CCOCC[C@@H](C)[NH2+]CCCC[NH+](C)C ZINC001172406943 974663906 /nfs/dbraw/zinc/66/39/06/974663906.db2.gz QMZTZQURXCXMTN-GFCCVEGCSA-N 2 0 216.369 1.733 20 0 BDADRP CCOCC[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC001172409869 974670926 /nfs/dbraw/zinc/67/09/26/974670926.db2.gz ALKCRLYXKFYOHK-STQMWFEESA-N 2 0 228.380 1.875 20 0 BDADRP CCOCC[C@@H](C)NC(=[NH2+])SCC[NH3+] ZINC001172410063 974673996 /nfs/dbraw/zinc/67/39/96/974673996.db2.gz FBSBCHLXTOJTPP-MRVPVSSYSA-N 2 0 219.354 1.018 20 0 BDADRP CCOCC[C@H](C)[NH2+][C@@H]1CCN(C)C[C@@H]1C ZINC001172422759 974697339 /nfs/dbraw/zinc/69/73/39/974697339.db2.gz IHUHBBPEIGLIPG-RWMBFGLXSA-N 2 0 228.380 1.731 20 0 BDADRP [NH3+]C[C@H](O)C[NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172538190 974875806 /nfs/dbraw/zinc/87/58/06/974875806.db2.gz MNWPFKDTKVVVTD-KFWWJZLASA-N 2 0 248.370 1.622 20 0 BDADRP CC[C@H]([NH2+]C)C(=O)N(C)C1(C[NH3+])CCCCC1 ZINC001332034702 974926762 /nfs/dbraw/zinc/92/67/62/974926762.db2.gz RSNXGPVSSHWNEI-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP CCCC[C@H](CC(C)C)[NH2+]C[C@@H](O)C[NH3+] ZINC001173245544 975082257 /nfs/dbraw/zinc/08/22/57/975082257.db2.gz HRPMHMHOWYJYIQ-NEPJUHHUSA-N 2 0 216.369 1.501 20 0 BDADRP CC[N@@H+]1CC[C@@H](Nc2ccc(CC[NH3+])cc2)C1 ZINC001173351670 975299544 /nfs/dbraw/zinc/29/95/44/975299544.db2.gz WHHXBUIQFINPEV-CQSZACIVSA-N 2 0 233.359 1.694 20 0 BDADRP CC[N@@H+]1CC[C@H](N(C(C)C)C(C)(C)C[NH3+])C1 ZINC001173357637 975322496 /nfs/dbraw/zinc/32/24/96/975322496.db2.gz PYWYRUQYKSVYEM-LBPRGKRZSA-N 2 0 227.396 1.528 20 0 BDADRP CCC[NH+]1CCN([C@@H]2CC[N@H+](CC)C2)CC1 ZINC001173366102 975342195 /nfs/dbraw/zinc/34/21/95/975342195.db2.gz WLKQDKNCVWPJFU-CYBMUJFWSA-N 2 0 225.380 1.108 20 0 BDADRP CC[N@@H+]1CC[C@@H](N2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC001173370266 975358347 /nfs/dbraw/zinc/35/83/47/975358347.db2.gz GIJJTKQLFZRANN-KGLIPLIRSA-N 2 0 237.391 1.108 20 0 BDADRP CC[N@@H+]1CC[C@@H](N(CC[NH2+]C)C(C)(C)C)C1 ZINC001173374330 975364016 /nfs/dbraw/zinc/36/40/16/975364016.db2.gz KWDCNGJBVKEATN-GFCCVEGCSA-N 2 0 227.396 1.401 20 0 BDADRP COC1(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CCC1 ZINC001333338614 975675682 /nfs/dbraw/zinc/67/56/82/975675682.db2.gz QVGWSDFWLAVVCJ-LBPRGKRZSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C[C@@H]1CCC[NH2+]C1 ZINC001333529112 975830648 /nfs/dbraw/zinc/83/06/48/975830648.db2.gz LHCRFTUIMAQRIK-WUHRBBMRSA-N 2 0 225.380 1.057 20 0 BDADRP c1cc(Nc2cc[nH+]cc2)n(-c2cc[nH+]cc2)n1 ZINC001173882721 975946871 /nfs/dbraw/zinc/94/68/71/975946871.db2.gz UXAHDRIWZOXJAJ-UHFFFAOYSA-N 2 0 237.266 1.828 20 0 BDADRP Cc1[nH+]cn(-c2ccc3[nH+]ccn3c2)c1N ZINC001174278752 976512824 /nfs/dbraw/zinc/51/28/24/976512824.db2.gz STUKUPACYFKVCV-UHFFFAOYSA-N 2 0 213.244 1.411 20 0 BDADRP CSC[C@@H](O)C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC001335433196 977057236 /nfs/dbraw/zinc/05/72/36/977057236.db2.gz RWNLROOTPBGSLK-NEPJUHHUSA-N 2 0 246.420 1.032 20 0 BDADRP C[C@H]([NH3+])CN1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC001336278561 977613483 /nfs/dbraw/zinc/61/34/83/977613483.db2.gz WBFUOEUHMUTGMW-RYUDHWBXSA-N 2 0 225.380 1.317 20 0 BDADRP CC[NH+](CC)C[C@H](C)Nc1nccnc1C[NH3+] ZINC001336491534 977719720 /nfs/dbraw/zinc/71/97/20/977719720.db2.gz NBLIPXQATVSEEQ-JTQLQIEISA-N 2 0 237.351 1.078 20 0 BDADRP CC[N@@H+]1CC[C@@H](N(CC[NH3+])Cc2ccccc2)C1 ZINC000328195141 978201872 /nfs/dbraw/zinc/20/18/72/978201872.db2.gz QIRVUKBZRHJKBV-OAHLLOKOSA-N 2 0 247.386 1.542 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)N2c1cc[nH+]cc1 ZINC001277693414 978204199 /nfs/dbraw/zinc/20/41/99/978204199.db2.gz FOTODDVHNDWAPH-TXEJJXNPSA-N 2 0 203.289 1.364 20 0 BDADRP C[N@@H+]1C[C@@H]2CCN(c3cc[nH+]cc3)[C@@H]2C1 ZINC001277693469 978204297 /nfs/dbraw/zinc/20/42/97/978204297.db2.gz IBCBMVYBAZORAD-CMPLNLGQSA-N 2 0 203.289 1.222 20 0 BDADRP CC[N@@H+]1CC[C@@H](NC[C@H]2CCC[NH+](C)C2)C1 ZINC000328202058 978204982 /nfs/dbraw/zinc/20/49/82/978204982.db2.gz SEEPTPOQGYXJDX-CHWSQXEVSA-N 2 0 225.380 1.012 20 0 BDADRP C[NH+](C)CCCO[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001206285550 978217940 /nfs/dbraw/zinc/21/79/40/978217940.db2.gz DPTMXWLDSTXIAO-CLLJXQQHSA-N 2 0 226.364 1.580 20 0 BDADRP C[NH+](C)CCCO[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001206285551 978220034 /nfs/dbraw/zinc/22/00/34/978220034.db2.gz DPTMXWLDSTXIAO-ITGUQSILSA-N 2 0 226.364 1.580 20 0 BDADRP COC(=O)[C@@H](C)C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206292546 978281121 /nfs/dbraw/zinc/28/11/21/978281121.db2.gz CXBYQTQTKJOCRW-WCQYABFASA-N 2 0 242.363 1.246 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@H]2CCCOC2)C1 ZINC000690455927 978288357 /nfs/dbraw/zinc/28/83/57/978288357.db2.gz YILJHWZIRSRSHU-VXGBXAGGSA-N 2 0 212.337 1.084 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2cnc(N)nc2)CC1 ZINC001206303130 978347433 /nfs/dbraw/zinc/34/74/33/978347433.db2.gz BMDIEVBZWMPHDM-ZDUSSCGKSA-N 2 0 249.362 1.010 20 0 BDADRP CC[NH+](CC)C[C@H](C)OCC[NH+]1CCCC1 ZINC001206303342 978362977 /nfs/dbraw/zinc/36/29/77/978362977.db2.gz ZEDBQSWDJWCSDD-ZDUSSCGKSA-N 2 0 228.380 1.829 20 0 BDADRP C[C@@H]1CN(c2[nH+]ccc3[nH]ccc32)CC[NH2+]1 ZINC000149262564 978414290 /nfs/dbraw/zinc/41/42/90/978414290.db2.gz PAKKDANWKBXGES-SECBINFHSA-N 2 0 216.288 1.361 20 0 BDADRP C[NH2+][C@@]12CC[C@@](Nc3c[nH+]cn3C)(C1)CCC2 ZINC001277765962 978472839 /nfs/dbraw/zinc/47/28/39/978472839.db2.gz YOLIJTXRDLWFKJ-QWHCGFSZSA-N 2 0 234.347 1.897 20 0 BDADRP NC[C@@]1(F)CCCC[N@H+](CCC2CC2)C1 ZINC001206337323 978601623 /nfs/dbraw/zinc/60/16/23/978601623.db2.gz TTXKQTBUQUVJBW-LBPRGKRZSA-N 2 0 214.328 1.939 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C)C2)CCO1 ZINC000069863051 978765397 /nfs/dbraw/zinc/76/53/97/978765397.db2.gz RGZUYSPEHSGQBW-GRYCIOLGSA-N 2 0 212.337 1.095 20 0 BDADRP CCOCC[N@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001277856500 978835493 /nfs/dbraw/zinc/83/54/93/978835493.db2.gz OWGHPOAESHNGCD-BETUJISGSA-N 2 0 226.364 1.297 20 0 BDADRP OCCCCC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234994263 978945423 /nfs/dbraw/zinc/94/54/23/978945423.db2.gz RGDVBSOQXGOYMA-CYBMUJFWSA-N 2 0 226.364 1.225 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H](Nc3cc[nH+]cc3)[C@@H]2C1 ZINC001339998989 978953166 /nfs/dbraw/zinc/95/31/66/978953166.db2.gz LMFBIVUGTJSHAC-UHTWSYAYSA-N 2 0 217.316 1.256 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H](Nc3ccccn3)[C@@H]2C1 ZINC001340000001 978954964 /nfs/dbraw/zinc/95/49/64/978954964.db2.gz QZQDOGVFCHIOST-TUAOUCFPSA-N 2 0 217.316 1.834 20 0 BDADRP CC[C@@H](CO)[NH2+]CC1CC[NH+](CC)CC1 ZINC001180951279 978969113 /nfs/dbraw/zinc/96/91/13/978969113.db2.gz HAFITXJBABOUHP-LBPRGKRZSA-N 2 0 214.353 1.079 20 0 BDADRP [NH3+]Cc1ccc(CN2CC[C@H]3[NH2+]CC[C@H]32)cc1 ZINC001235074638 978969800 /nfs/dbraw/zinc/96/98/00/978969800.db2.gz FSBZKCNPGZVIKP-ZIAGYGMSSA-N 2 0 231.343 1.082 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)C2=CCC[NH2+]CC2)cc1 ZINC001340132750 978975836 /nfs/dbraw/zinc/97/58/36/978975836.db2.gz IMINVMJZCILQSQ-UHFFFAOYSA-N 2 0 245.326 1.394 20 0 BDADRP CC1(CN2CCCCC23C[NH2+]C3)CC[NH2+]CC1 ZINC001235101674 978977094 /nfs/dbraw/zinc/97/70/94/978977094.db2.gz COSIEAZDEYQCHS-UHFFFAOYSA-N 2 0 237.391 1.204 20 0 BDADRP [NH3+]CCCCCCN1CCCC[C@@]12CC[NH2+]C2 ZINC001235122686 978979726 /nfs/dbraw/zinc/97/97/26/978979726.db2.gz HVAIZAPUWPWMTD-AWEZNQCLSA-N 2 0 239.407 1.724 20 0 BDADRP OCCCCC[N@@H+]1CCCC12CC[NH2+]CC2 ZINC001235139954 978981787 /nfs/dbraw/zinc/98/17/87/978981787.db2.gz FNDPPUVUHKOVMI-UHFFFAOYSA-N 2 0 226.364 1.367 20 0 BDADRP C([C@@H]1CCC[NH2+]1)N1CCCC[C@@]12CCC[NH2+]C2 ZINC001235172127 978989990 /nfs/dbraw/zinc/98/99/90/978989990.db2.gz KMJURTFEDXVYHG-KBPBESRZSA-N 2 0 237.391 1.347 20 0 BDADRP CC[C@@H]([NH3+])CN1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001235217718 978998342 /nfs/dbraw/zinc/99/83/42/978998342.db2.gz GEUVEHXVVMSGEG-VHDGCEQUSA-N 2 0 245.370 1.295 20 0 BDADRP [NH3+]CCCC[N@H+]1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001235219352 978999770 /nfs/dbraw/zinc/99/97/70/978999770.db2.gz ZOJNBVYJVUGHBS-LSDHHAIUSA-N 2 0 245.370 1.297 20 0 BDADRP c1n[nH]cc1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235230471 979000167 /nfs/dbraw/zinc/00/01/67/979000167.db2.gz CFKXAIUJQZHAEZ-AWEZNQCLSA-N 2 0 248.374 1.764 20 0 BDADRP C[NH2+]CCN1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235231199 979000759 /nfs/dbraw/zinc/00/07/59/979000759.db2.gz DDJJLPIZQQBJJB-CYBMUJFWSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@@H]1C[C@@H](NC(=O)C[C@@H]([NH3+])C(C)(C)C)CC[NH2+]1 ZINC001340280783 979001448 /nfs/dbraw/zinc/00/14/48/979001448.db2.gz CYQRKKDJISQZFU-OUAUKWLOSA-N 2 0 241.379 1.007 20 0 BDADRP CC1(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CC[NH2+]CC1 ZINC001235241371 979002891 /nfs/dbraw/zinc/00/28/91/979002891.db2.gz SQCVTAGNADZLEN-TZMCWYRMSA-N 3 0 237.391 1.189 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1ccc(CC[NH3+])cc1 ZINC001340401970 979019116 /nfs/dbraw/zinc/01/91/16/979019116.db2.gz UPIXCXHRWQBNFB-GHMZBOCLSA-N 2 0 249.358 1.043 20 0 BDADRP c1cc(CN2CCC[C@H]3[NH2+]C[C@H]32)cc2c1C[NH2+]C2 ZINC001235302629 979021344 /nfs/dbraw/zinc/02/13/44/979021344.db2.gz IGTYAJPNPGDDCF-HUUCEWRRSA-N 2 0 243.354 1.226 20 0 BDADRP [NH3+]CCN1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235348442 979030933 /nfs/dbraw/zinc/03/09/33/979030933.db2.gz FLFBRTAHRQRADW-HUUCEWRRSA-N 2 0 245.370 1.024 20 0 BDADRP OCCCCC[N@@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235400441 979035506 /nfs/dbraw/zinc/03/55/06/979035506.db2.gz CZEYOMUXEVVLRL-CHWSQXEVSA-N 2 0 244.354 1.173 20 0 BDADRP C[C@@H]([NH3+])CN1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001235677257 979118985 /nfs/dbraw/zinc/11/89/85/979118985.db2.gz FZNBAFKSMRYDBB-ZIAGYGMSSA-N 2 0 239.407 1.674 20 0 BDADRP OCCC[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001235677296 979120989 /nfs/dbraw/zinc/12/09/89/979120989.db2.gz GHCALWIOYMDNSS-CQSZACIVSA-N 2 0 240.391 1.709 20 0 BDADRP CC1(C[N@@H+]2CCCC3(C[NH2+]C3)C2)CC[NH2+]CC1 ZINC001235710619 979128215 /nfs/dbraw/zinc/12/82/15/979128215.db2.gz CIYLGFJKYBOULO-UHFFFAOYSA-N 3 0 237.391 1.062 20 0 BDADRP CC[C@@H]([NH3+])C[N@H+](C)CCC1CC[NH2+]CC1 ZINC001235713839 979128944 /nfs/dbraw/zinc/12/89/44/979128944.db2.gz HQJXQLOGTZUJMF-GFCCVEGCSA-N 3 0 213.369 1.045 20 0 BDADRP CC[C@@H]([NH3+])CN1CCC(C2CC[NH2+]CC2)CC1 ZINC001235703003 979129957 /nfs/dbraw/zinc/12/99/57/979129957.db2.gz ZZXSWPLBAQHQQX-CQSZACIVSA-N 2 0 239.407 1.435 20 0 BDADRP C[C@@H]([NH3+])CN1CC[NH2+]C[C@@H]1c1ccccc1F ZINC001235743305 979138404 /nfs/dbraw/zinc/13/84/04/979138404.db2.gz NALBOFDHSUKASB-ZWNOBZJWSA-N 2 0 237.322 1.119 20 0 BDADRP CC1(C)C[NH2+]CCN1C[C@@H]([NH3+])c1ccccc1 ZINC001235821919 979160631 /nfs/dbraw/zinc/16/06/31/979160631.db2.gz BHYICBDRMZQASN-CYBMUJFWSA-N 2 0 233.359 1.370 20 0 BDADRP CC1(C)CN(CC[C@@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001235833839 979164765 /nfs/dbraw/zinc/16/47/65/979164765.db2.gz SFIMNQFECBPPHA-LBPRGKRZSA-N 2 0 225.380 1.202 20 0 BDADRP c1ccc([C@H]2CN(C[C@@H]3CCC[NH2+]3)CC[NH2+]2)cc1 ZINC001235858992 979172389 /nfs/dbraw/zinc/17/23/89/979172389.db2.gz KSMKFWWWOFINAG-LSDHHAIUSA-N 2 0 245.370 1.385 20 0 BDADRP [NH3+]CCN(CC[NH3+])Cc1cccc2ccoc21 ZINC001235880442 979176578 /nfs/dbraw/zinc/17/65/78/979176578.db2.gz LVDLVCOMPNYAHY-UHFFFAOYSA-N 2 0 233.315 1.152 20 0 BDADRP CC[C@@H]([NH3+])CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001235884348 979179834 /nfs/dbraw/zinc/17/98/34/979179834.db2.gz ZXMSSAITBLKCID-CHWSQXEVSA-N 2 0 225.380 1.188 20 0 BDADRP CC[C@H]([NH3+])CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001235884354 979181505 /nfs/dbraw/zinc/18/15/05/979181505.db2.gz ZXMSSAITBLKCID-QWHCGFSZSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@H]1CN(C[C@H]([NH3+])Cc2ccccc2)C[C@H](C)[NH2+]1 ZINC001235896947 979190457 /nfs/dbraw/zinc/19/04/57/979190457.db2.gz AFZWULNTDAMEBT-VNHYZAJKSA-N 2 0 247.386 1.239 20 0 BDADRP C[NH+](C)C1(C)CN(C[C@H]([NH3+])Cc2ccccc2)C1 ZINC001235902019 979192373 /nfs/dbraw/zinc/19/23/73/979192373.db2.gz TXUOJCAPGNMMOA-CQSZACIVSA-N 2 0 247.386 1.192 20 0 BDADRP [NH3+]CC[C@@H]1CCCN1C[C@H]([NH3+])Cc1ccccc1 ZINC001235925029 979209543 /nfs/dbraw/zinc/20/95/43/979209543.db2.gz GUIOFMUIPAQHOX-CABCVRRESA-N 2 0 247.386 1.370 20 0 BDADRP CCN(Cc1ccc(C[NH3+])cc1)[C@H]1CC[NH2+]C1 ZINC001235969559 979235850 /nfs/dbraw/zinc/23/58/50/979235850.db2.gz DLBLJSZDBMVJDJ-AWEZNQCLSA-N 2 0 233.359 1.329 20 0 BDADRP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1CCO ZINC001235973949 979242927 /nfs/dbraw/zinc/24/29/27/979242927.db2.gz QITPYDRMDQSLPL-QWHCGFSZSA-N 2 0 226.364 1.318 20 0 BDADRP C[C@@H]([NH3+])CN1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001235972939 979244311 /nfs/dbraw/zinc/24/43/11/979244311.db2.gz ISJPKKPXMWZVBZ-RDBSUJKOSA-N 2 0 239.407 1.672 20 0 BDADRP [NH3+][C@]12CC[C@H]1C[N@H+](CC1CCCCC1)C2 ZINC001235981824 979258698 /nfs/dbraw/zinc/25/86/98/979258698.db2.gz XSJIHKYGKLXMJI-STQMWFEESA-N 2 0 208.349 1.990 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccccc1C[NH3+] ZINC001341165003 979258873 /nfs/dbraw/zinc/25/88/73/979258873.db2.gz OSIMGUJSNABTHZ-UWVGGRQHSA-N 2 0 235.331 1.001 20 0 BDADRP C(CN1C[C@H]2CC[C@@H](C1)[NH2+]C2)[C@@H]1CCC[NH2+]C1 ZINC001236059802 979346635 /nfs/dbraw/zinc/34/66/35/979346635.db2.gz LHWBZNAYDCGTIS-IHRRRGAJSA-N 3 0 237.391 1.060 20 0 BDADRP C(CN1C[C@H]2CC[C@@H](C1)[NH2+]C2)[C@@H]1CCCC[NH2+]1 ZINC001236059432 979347555 /nfs/dbraw/zinc/34/75/55/979347555.db2.gz HSNUXEAFINYKQA-IHRRRGAJSA-N 2 0 237.391 1.202 20 0 BDADRP [NH3+]Cc1ccc(CN2C[C@H]3CC[C@@H](C2)[NH2+]C3)cc1 ZINC001236061788 979352890 /nfs/dbraw/zinc/35/28/90/979352890.db2.gz ZZGUJVZXJQXXAA-GJZGRUSLSA-N 2 0 245.370 1.329 20 0 BDADRP C[C@H]1CN(Cc2ccc(C[NH3+])cc2)CCC[NH2+]1 ZINC001236095636 979384401 /nfs/dbraw/zinc/38/44/01/979384401.db2.gz XYJPQJJXLZFQGJ-LBPRGKRZSA-N 3 0 233.359 1.329 20 0 BDADRP C(CN1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@@H]1CCCC[NH2+]1 ZINC001236095057 979385627 /nfs/dbraw/zinc/38/56/27/979385627.db2.gz LHAYUOXVHOIMTJ-MELADBBJSA-N 2 0 237.391 1.345 20 0 BDADRP CCc1ccccc1C[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206474502 979386326 /nfs/dbraw/zinc/38/63/26/979386326.db2.gz CHZREQSRULGTON-UONOGXRCSA-N 2 0 234.343 1.000 20 0 BDADRP CCCC[C@@H]1CN(CCCCC[NH3+])CC[NH2+]1 ZINC001236134818 979404288 /nfs/dbraw/zinc/40/42/88/979404288.db2.gz HGCVYRYCCJPMRY-CYBMUJFWSA-N 2 0 227.396 1.579 20 0 BDADRP C[C@@H]([NH3+])CN1CC[NH2+]C[C@H]1c1ccc(F)cc1 ZINC001236128439 979405839 /nfs/dbraw/zinc/40/58/39/979405839.db2.gz KIGPSILYUNJXRY-MFKMUULPSA-N 2 0 237.322 1.119 20 0 BDADRP CCN(CC[NH2+]C)C[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001236143127 979410463 /nfs/dbraw/zinc/41/04/63/979410463.db2.gz HVFOBOKSFVDOOG-HNNXBMFYSA-N 2 0 247.386 1.242 20 0 BDADRP CCN(CC[NH2+]C)Cc1ccc2c(c1)C[NH2+]C2 ZINC001236145997 979413910 /nfs/dbraw/zinc/41/39/10/979413910.db2.gz TVDIVKCRIKTWHX-UHFFFAOYSA-N 2 0 233.359 1.331 20 0 BDADRP CC[C@@H](C)C[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC001341459090 979413930 /nfs/dbraw/zinc/41/39/30/979413930.db2.gz WPEXPODZOZEVJK-NOOOWODRSA-N 2 0 241.379 1.007 20 0 BDADRP CCC[C@H]1CN(C[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001236176854 979436240 /nfs/dbraw/zinc/43/62/40/979436240.db2.gz JRTVMGYPZOYVCF-OLZOCXBDSA-N 2 0 225.380 1.060 20 0 BDADRP CN(CC1(F)CC[NH2+]CC1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236213754 979453274 /nfs/dbraw/zinc/45/32/74/979453274.db2.gz OPANOWHZCJCQHK-NEPJUHHUSA-N 2 0 243.370 1.280 20 0 BDADRP CN(C[C@@H]1CCC[NH2+]C1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236215806 979454219 /nfs/dbraw/zinc/45/42/19/979454219.db2.gz YEEXRTZQAUKIFO-AGIUHOORSA-N 2 0 225.380 1.188 20 0 BDADRP NC[C@H]1CCC[N@@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001236245887 979466583 /nfs/dbraw/zinc/46/65/83/979466583.db2.gz WDBQVXOSZSHVIN-CYBMUJFWSA-N 2 0 237.391 1.189 20 0 BDADRP CC[C@@H](C)C[C@H]([NH3+])C(=O)N1CCCC[C@H]1C[NH3+] ZINC001341594738 979484508 /nfs/dbraw/zinc/48/45/08/979484508.db2.gz ROHWDKYAIUTFCC-WOPDTQHZSA-N 2 0 241.379 1.090 20 0 BDADRP Cc1cccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)n1 ZINC001236314667 979524155 /nfs/dbraw/zinc/52/41/55/979524155.db2.gz RMEMHEVZWJQKPC-OKILXGFUSA-N 2 0 245.370 1.821 20 0 BDADRP Cc1c[nH]c(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)n1 ZINC001236315661 979527678 /nfs/dbraw/zinc/52/76/78/979527678.db2.gz MIOUIEZDFKKFBF-TXEJJXNPSA-N 2 0 234.347 1.150 20 0 BDADRP CCn1ccnc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236317336 979528494 /nfs/dbraw/zinc/52/84/94/979528494.db2.gz VTRNYWLRUHANHH-BETUJISGSA-N 2 0 248.374 1.334 20 0 BDADRP Fc1ncccc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236317474 979533490 /nfs/dbraw/zinc/53/34/90/979533490.db2.gz YARSVIXWCGZDHV-TXEJJXNPSA-N 2 0 249.333 1.652 20 0 BDADRP CCN(C[C@H]1CC[NH2+]C1)C[C@H]1CCCC[NH2+]1 ZINC001236407580 979585022 /nfs/dbraw/zinc/58/50/22/979585022.db2.gz HLNXCUGZLNIRJX-QWHCGFSZSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@H]1[C@@H]([NH3+])CCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC001236414114 979587811 /nfs/dbraw/zinc/58/78/11/979587811.db2.gz JSOYFHZBKPLADY-AAEUAGOBSA-N 3 0 225.380 1.188 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001236416700 979590135 /nfs/dbraw/zinc/59/01/35/979590135.db2.gz VVHIJUOUHWISHR-FRRDWIJNSA-N 3 0 225.380 1.188 20 0 BDADRP C[C@H]1[C@@H]([NH3+])CCCN1CC1(C)CC[NH2+]CC1 ZINC001236416336 979592136 /nfs/dbraw/zinc/59/21/36/979592136.db2.gz SUTBFJIHUSZERL-RYUDHWBXSA-N 2 0 225.380 1.188 20 0 BDADRP CC[NH2+]CCN(CC(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236474947 979605257 /nfs/dbraw/zinc/60/52/57/979605257.db2.gz TYBOOCQCXYWBLY-CYBMUJFWSA-N 2 0 227.396 1.306 20 0 BDADRP CCC1(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)COC1 ZINC001206540462 979620173 /nfs/dbraw/zinc/62/01/73/979620173.db2.gz BROFCVAJZALSJR-ZDUSSCGKSA-N 2 0 240.391 1.864 20 0 BDADRP C[C@H](N)C[N@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236539973 979627779 /nfs/dbraw/zinc/62/77/79/979627779.db2.gz DSUWUTNWACNAFZ-UBHSHLNASA-N 2 0 239.407 1.706 20 0 BDADRP CC[C@@H](N)C[N@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236571410 979638552 /nfs/dbraw/zinc/63/85/52/979638552.db2.gz CIMRDUXTOQQLLL-YRGRVCCFSA-N 2 0 239.407 1.848 20 0 BDADRP C[C@H](CO)C[NH+]1CCC2(CCC[N@H+](C)C2)CC1 ZINC001277994660 979688340 /nfs/dbraw/zinc/68/83/40/979688340.db2.gz PZCBSABYOLBOQD-ZDUSSCGKSA-N 2 0 240.391 1.423 20 0 BDADRP C[NH2+]CCN([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236646334 979688572 /nfs/dbraw/zinc/68/85/72/979688572.db2.gz GCBBRYRJPMJYNV-CYBMUJFWSA-N 2 0 225.380 1.202 20 0 BDADRP CC(C)([NH3+])CCC(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001342204013 979708062 /nfs/dbraw/zinc/70/80/62/979708062.db2.gz GIOLUXXJDYGYID-NSHDSACASA-N 2 0 241.379 1.152 20 0 BDADRP C(C[NH2+]C1CCCCC1)CN1CC[NH2+]C1 ZINC001236842854 979751775 /nfs/dbraw/zinc/75/17/75/979751775.db2.gz BHZRJFOVDIGLNP-UHFFFAOYSA-N 2 0 211.353 1.162 20 0 BDADRP CC[C@H]([NH3+])CN(C)Cc1cccc2c[nH+]cn21 ZINC001236883631 979776674 /nfs/dbraw/zinc/77/66/74/979776674.db2.gz HWDVUOHGROTQIP-NSHDSACASA-N 2 0 232.331 1.503 20 0 BDADRP CC(C)[N@H+](CCCC[NH3+])C1CCOCC1 ZINC001237014767 979804189 /nfs/dbraw/zinc/80/41/89/979804189.db2.gz GZHCJOBBSXGGOR-UHFFFAOYSA-N 2 0 214.353 1.615 20 0 BDADRP CNc1ncccc1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205264719 979810680 /nfs/dbraw/zinc/81/06/80/979810680.db2.gz LAJDKYFHHLQQIT-AWEZNQCLSA-N 2 0 248.374 1.827 20 0 BDADRP CC[NH2+]CCN(C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237142657 979822504 /nfs/dbraw/zinc/82/25/04/979822504.db2.gz AWHFWQFLXGMBQG-CYBMUJFWSA-N 2 0 225.380 1.202 20 0 BDADRP CC[NH+](CC)CC[C@H](C)NC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC001342630279 979844438 /nfs/dbraw/zinc/84/44/38/979844438.db2.gz BDZFHHGRKRHQJF-QJPTWQEYSA-N 2 0 243.395 1.206 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CCNC2=CCCC[C@@H]21 ZINC001237221883 979850798 /nfs/dbraw/zinc/85/07/98/979850798.db2.gz YLCZKNNAWVAHHF-AWEZNQCLSA-N 2 0 237.391 1.847 20 0 BDADRP CCC1(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)COC1 ZINC001237376076 979879366 /nfs/dbraw/zinc/87/93/66/979879366.db2.gz OPGQHGWMTMTZAU-STQMWFEESA-N 2 0 238.375 1.487 20 0 BDADRP c1cnn(CCC[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237385008 979883521 /nfs/dbraw/zinc/88/35/21/979883521.db2.gz ZDGYINNDRCYULW-ZIAGYGMSSA-N 2 0 248.374 1.347 20 0 BDADRP Cc1nc(C)c(C[N@@H+]2CCC[C@](C)([NH3+])CC2)[nH]1 ZINC001205288751 979924837 /nfs/dbraw/zinc/92/48/37/979924837.db2.gz OBAFBZSQHUCFHY-ZDUSSCGKSA-N 2 0 236.363 1.730 20 0 BDADRP CCC[C@@H](C[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1)OC ZINC001184066063 979929633 /nfs/dbraw/zinc/92/96/33/979929633.db2.gz KOJHDTFSLNOKFP-RDBSUJKOSA-N 2 0 240.391 1.685 20 0 BDADRP CCn1nccc1C[NH2+]C[C@H]1C[NH+]2CCC1CC2 ZINC001184135575 979945578 /nfs/dbraw/zinc/94/55/78/979945578.db2.gz SOSMOKUYPPRUEO-ZDUSSCGKSA-N 2 0 248.374 1.334 20 0 BDADRP CCN(C)[C@H]1CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC001184440727 980071482 /nfs/dbraw/zinc/07/14/82/980071482.db2.gz UPMRBICWBGMSFM-AWEZNQCLSA-N 2 0 239.407 1.354 20 0 BDADRP CCO[C@@H]1CC[N@H+](Cc2cccc3cncn32)C1 ZINC001238105075 980157090 /nfs/dbraw/zinc/15/70/90/980157090.db2.gz BUPMXJLEZKCXEK-CQSZACIVSA-N 2 0 245.326 1.945 20 0 BDADRP C[NH+]1CC2(CN(Cc3cccc4c[nH+]cn43)C2)C1 ZINC001238115644 980166025 /nfs/dbraw/zinc/16/60/25/980166025.db2.gz MQKSHJNOGMYHDR-UHFFFAOYSA-N 2 0 242.326 1.082 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001344590160 980439037 /nfs/dbraw/zinc/43/90/37/980439037.db2.gz JXXUZCRZTDENTJ-GXSJLCMTSA-N 2 0 245.326 1.226 20 0 BDADRP C[NH2+][C@H](C)CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC001345103460 980551058 /nfs/dbraw/zinc/55/10/58/980551058.db2.gz FSOAZOPXTHCMPD-SYQHCUMBSA-N 2 0 239.407 1.495 20 0 BDADRP CCC[NH+]1CCC(NCC[C@@H](C)[NH2+]C)CC1 ZINC001345469025 980616820 /nfs/dbraw/zinc/61/68/20/980616820.db2.gz ASHVWRWQCNKQRA-GFCCVEGCSA-N 2 0 227.396 1.448 20 0 BDADRP CC[C@@H](NCC[C@@H](C)[NH2+]C)[C@@H]1CCC[NH2+]1 ZINC001345481866 980618703 /nfs/dbraw/zinc/61/87/03/980618703.db2.gz GWLYMPFOQDHGGH-UTUOFQBUSA-N 2 0 213.369 1.105 20 0 BDADRP C[C@H](c1nc([C@@H]2CCC[NH2+]2)no1)n1ccnc1 ZINC001345930259 980710968 /nfs/dbraw/zinc/71/09/68/980710968.db2.gz HNJWDNHWQCOUGK-BDAKNGLRSA-N 2 0 233.275 1.300 20 0 BDADRP C[C@@H](c1nc([C@H]2CCC[NH2+]2)no1)n1ccnc1 ZINC001345930260 980712336 /nfs/dbraw/zinc/71/23/36/980712336.db2.gz HNJWDNHWQCOUGK-DTWKUNHWSA-N 2 0 233.275 1.300 20 0 BDADRP C[NH2+][C@@H](C)CCNC(=O)[C@H]([NH3+])c1ccc(C)cc1 ZINC001345994574 980725331 /nfs/dbraw/zinc/72/53/31/980725331.db2.gz ZDRKYYCGLPHCHO-WCQYABFASA-N 2 0 249.358 1.109 20 0 BDADRP [NH3+]Cc1cncc(-c2ccc3c(c2)C[NH2+]C3)c1 ZINC001239799607 980937845 /nfs/dbraw/zinc/93/78/45/980937845.db2.gz YMTPEYGBFPKBCG-UHFFFAOYSA-N 2 0 225.295 1.811 20 0 BDADRP CCc1nc(C)c(C[N@@H+]2CC[C@@](C)(O)C2)[nH]1 ZINC001203236944 981003590 /nfs/dbraw/zinc/00/35/90/981003590.db2.gz UESJYPPNBQCQLD-GFCCVEGCSA-N 2 0 223.320 1.237 20 0 BDADRP CCC1(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)COC1 ZINC001205601322 981159390 /nfs/dbraw/zinc/15/93/90/981159390.db2.gz DKIXKXKCEVDXQU-QWHCGFSZSA-N 2 0 240.391 1.720 20 0 BDADRP C[C@H]1CC[N@H+](Cc2cncn2C)CC[C@@H]1C[NH3+] ZINC001205602747 981168023 /nfs/dbraw/zinc/16/80/23/981168023.db2.gz MAWCNLWGTBZDQY-NWDGAFQWSA-N 2 0 236.363 1.227 20 0 BDADRP [NH3+]C1(C[NH2+]CCc2ccc(F)cc2F)CCC1 ZINC001348517063 981380146 /nfs/dbraw/zinc/38/01/46/981380146.db2.gz ZQWRLLNAOQUUEL-UHFFFAOYSA-N 2 0 240.297 1.978 20 0 BDADRP Cc1cnc(C2=CC[NH2+]CC2)c(C[NH3+])c1 ZINC001240466044 981400090 /nfs/dbraw/zinc/40/00/90/981400090.db2.gz OWAILHCCMRRFEY-UHFFFAOYSA-N 2 0 203.289 1.225 20 0 BDADRP c1cc(C2=CCC[NH2+]C2)ccc1O[C@H]1CC[NH2+]C1 ZINC001240671038 981582720 /nfs/dbraw/zinc/58/27/20/981582720.db2.gz QQKGBJIDXSKEPS-HNNXBMFYSA-N 2 0 244.338 1.804 20 0 BDADRP O[C@H](C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C1CC[NH2+]CC1 ZINC001580878527 981677941 /nfs/dbraw/zinc/67/79/41/981677941.db2.gz QTQIKXVWBIEDIL-ZOBORPQBSA-N 2 0 238.375 1.125 20 0 BDADRP O[C@@H]1C[NH2+]CC[C@@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC001580879766 981678608 /nfs/dbraw/zinc/67/86/08/981678608.db2.gz FBHHYIIDJCXKFL-ZQDZILKHSA-N 2 0 246.354 1.103 20 0 BDADRP OC[C@@H](CCF)[NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001580881190 981685581 /nfs/dbraw/zinc/68/55/81/981685581.db2.gz CILMXEBPJJEERY-PSEXLTFBSA-N 2 0 244.354 1.217 20 0 BDADRP OC[C@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC001580884407 981699050 /nfs/dbraw/zinc/69/90/50/981699050.db2.gz ADLTZSDULAMGBP-RYMFRWLXSA-N 2 0 238.375 1.125 20 0 BDADRP O[C@@H]1c2ccccc2C[C@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001580885669 981706296 /nfs/dbraw/zinc/70/62/96/981706296.db2.gz KNYXFNYHROUNGB-KCPJHIHWSA-N 2 0 246.354 1.234 20 0 BDADRP c1csc(C[NH2+]C[C@@H]2CCC[NH2+]CC2)n1 ZINC001580897213 981715731 /nfs/dbraw/zinc/71/57/31/981715731.db2.gz JZMRJJTUTRGQBL-SNVBAGLBSA-N 2 0 225.361 1.622 20 0 BDADRP c1nc2n(c1C[NH2+]C[C@H]1CCC[NH2+]CC1)CCC2 ZINC001580897003 981731220 /nfs/dbraw/zinc/73/12/20/981731220.db2.gz AUAWWWHMVZUNHT-LBPRGKRZSA-N 2 0 248.374 1.309 20 0 BDADRP CC(C)([NH3+])CCNC(=O)c1cccc(C[NH3+])c1 ZINC001349873942 981802008 /nfs/dbraw/zinc/80/20/08/981802008.db2.gz NVINLZHEIRQHQO-UHFFFAOYSA-N 2 0 235.331 1.003 20 0 BDADRP C[C@@H]([NH3+])CN1c2ccccc2[C@H]([NH3+])C1(C)C ZINC001351799838 982393894 /nfs/dbraw/zinc/39/38/94/982393894.db2.gz LNDQQWOSYCLSIB-SKDRFNHKSA-N 2 0 219.332 1.632 20 0 BDADRP Cc1cnc(C2=CC[N@H+](C)CC2)c(C[NH3+])c1 ZINC001241311681 982456968 /nfs/dbraw/zinc/45/69/68/982456968.db2.gz ZKIYOTGJFKHVNZ-UHFFFAOYSA-N 2 0 217.316 1.568 20 0 BDADRP C[C@H]1CC[C@@H](C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)O1 ZINC001196781676 982494807 /nfs/dbraw/zinc/49/48/07/982494807.db2.gz FZHWFNXGFMGCER-CRWXNKLISA-N 2 0 238.375 1.437 20 0 BDADRP CC[C@@H](O)C[NH2+][C@H]1CC[C@H]([NH+](CC)CC)CC1 ZINC001251817658 982746417 /nfs/dbraw/zinc/74/64/17/982746417.db2.gz QZVSZBFQIWBLHK-MGPQQGTHSA-N 2 0 242.407 2.000 20 0 BDADRP C[C@@H]([NH3+])c1cccc(-c2cnn(C3C[NH2+]C3)c2)c1 ZINC001241611921 982849525 /nfs/dbraw/zinc/84/95/25/982849525.db2.gz KCSZHKUEDGXHBQ-SNVBAGLBSA-N 2 0 242.326 1.714 20 0 BDADRP CCn1cncc1CN1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001205854604 982874490 /nfs/dbraw/zinc/87/44/90/982874490.db2.gz KQRZXEUHSRLJKS-NWDGAFQWSA-N 2 0 236.363 1.462 20 0 BDADRP C[C@H]1C[C@H](NC(=O)c2ccccc2C[NH3+])CC[NH2+]1 ZINC001353632639 982942395 /nfs/dbraw/zinc/94/23/95/982942395.db2.gz DJSHVLMBEWDTFJ-CMPLNLGQSA-N 2 0 247.342 1.016 20 0 BDADRP C[N@@H+]1CC[C@@H]2CN(c3cc[nH+]cc3)C[C@@H]21 ZINC001354029100 983117034 /nfs/dbraw/zinc/11/70/34/983117034.db2.gz NAHSALFMPALLJN-PWSUYJOCSA-N 2 0 203.289 1.222 20 0 BDADRP C[N@@H+]1CCC[C@@H](CCNc2nccnc2C[NH3+])C1 ZINC001354217867 983201022 /nfs/dbraw/zinc/20/10/22/983201022.db2.gz YCPWSKGUYRJHDX-NSHDSACASA-N 2 0 249.362 1.079 20 0 BDADRP C[C@@H](CCNC(=O)c1ccccc1C[NH3+])[NH+](C)C ZINC001354247799 983223482 /nfs/dbraw/zinc/22/34/82/983223482.db2.gz RGFUZELFCRLCBV-NSHDSACASA-N 2 0 249.358 1.215 20 0 BDADRP [NH3+][C@H](CC(=O)Nc1cccc2c1C[NH2+]C2)C1CC1 ZINC001354661166 983340652 /nfs/dbraw/zinc/34/06/52/983340652.db2.gz SUNHOCYZUQQUSU-GFCCVEGCSA-N 2 0 245.326 1.356 20 0 BDADRP CC[N@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001201576490 983342019 /nfs/dbraw/zinc/34/20/19/983342019.db2.gz YSLKVGWSWAELFI-BETUJISGSA-N 2 0 231.343 1.465 20 0 BDADRP CSCCC[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001201696752 983406519 /nfs/dbraw/zinc/40/65/19/983406519.db2.gz QMDGOPJALFEMKP-VXGBXAGGSA-N 2 0 228.405 1.623 20 0 BDADRP CCCC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC001252108196 983665495 /nfs/dbraw/zinc/66/54/95/983665495.db2.gz MPPXNWIMUIFBFT-QWHCGFSZSA-N 2 0 228.380 1.469 20 0 BDADRP CC(C)([NH3+])C(=O)N1C[C@H](CC[NH3+])c2ccccc21 ZINC001357990455 983811234 /nfs/dbraw/zinc/81/12/34/983811234.db2.gz JVCOUNVRACLQQE-JTQLQIEISA-N 2 0 247.342 1.203 20 0 BDADRP C[C@@H](CCNCC(C)(C)C[NH3+])[NH+]1CCCCC1 ZINC001575968308 984148241 /nfs/dbraw/zinc/14/82/41/984148241.db2.gz WNVJOYKUWSXRKG-ZDUSSCGKSA-N 2 0 241.423 1.825 20 0 BDADRP COCCC[N@@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205981047 984174382 /nfs/dbraw/zinc/17/43/82/984174382.db2.gz BEYBJJXUCGXWQK-RYUDHWBXSA-N 2 0 214.353 1.330 20 0 BDADRP C[C@H]([NH3+])C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC001576160083 984161270 /nfs/dbraw/zinc/16/12/70/984161270.db2.gz XJGBUDYKRHYFAU-BJDJZHNGSA-N 2 0 224.348 1.271 20 0 BDADRP C[C@@H](O)C[C@@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC001576271074 984167281 /nfs/dbraw/zinc/16/72/81/984167281.db2.gz BWHSOZKDHUMHIP-NDBYEHHHSA-N 2 0 226.364 1.077 20 0 BDADRP C[C@H](O)C[C@@H]1CCC[N@@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576272363 984167441 /nfs/dbraw/zinc/16/74/41/984167441.db2.gz LYDHRFYQWQZHNU-RVMXOQNASA-N 2 0 226.364 1.349 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H](C)[C@H]1COc2ccccc2C1 ZINC001577124439 984191040 /nfs/dbraw/zinc/19/10/40/984191040.db2.gz APPQYBVDUPVGFO-YUTCNCBUSA-N 2 0 248.370 1.953 20 0 BDADRP CCCC[C@H](C)[C@@H](C)[NH2+][C@H]1COC2(C[NH2+]C2)C1 ZINC001577388317 984196322 /nfs/dbraw/zinc/19/63/22/984196322.db2.gz PEHZSLVEYMEDCM-YNEHKIRRSA-N 2 0 240.391 1.922 20 0 BDADRP Cc1nocc1C[NH2+]CC[C@@H]1CCC[NH2+]CC1 ZINC001579923908 984346029 /nfs/dbraw/zinc/34/60/29/984346029.db2.gz SVLJEADBMYBLGA-GFCCVEGCSA-N 2 0 237.347 1.852 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+]CC1(CO)CCCC1)C2 ZINC001580167231 984407655 /nfs/dbraw/zinc/40/76/55/984407655.db2.gz WBDNUWTWZBHXTM-QWKFWESOSA-N 2 0 224.348 1.009 20 0 BDADRP COCCOC[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001275044992 984444997 /nfs/dbraw/zinc/44/49/97/984444997.db2.gz IYTJBXNTHAGXSJ-UHFFFAOYSA-N 2 0 242.363 1.025 20 0 BDADRP Cc1nc(C2=CC[NH2+]C2)cc([C@H]2CCC[NH2+]C2)n1 ZINC001243109967 984563933 /nfs/dbraw/zinc/56/39/33/984563933.db2.gz IKHYIXOUZCIRKJ-NSHDSACASA-N 2 0 244.342 1.239 20 0 BDADRP CC(C)([NH3+])c1cccc(C2=CC[NH2+]C2)c1 ZINC001243112154 984579735 /nfs/dbraw/zinc/57/97/35/984579735.db2.gz UXKWURXGQYUFAV-UHFFFAOYSA-N 2 0 202.301 1.867 20 0 BDADRP CC[N@H+](CC[C@@H]1CCOC1=O)C1CC[NH2+]CC1 ZINC001577713285 984650507 /nfs/dbraw/zinc/65/05/07/984650507.db2.gz WCSDVYGIFAICMT-LLVKDONJSA-N 2 0 240.347 1.014 20 0 BDADRP CC[N@H+](CCSC)Cc1c(C[NH3+])cnn1C ZINC001577728920 984697133 /nfs/dbraw/zinc/69/71/33/984697133.db2.gz WUOCMSAFDPBDLU-UHFFFAOYSA-N 2 0 242.392 1.064 20 0 BDADRP C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccnnc1)CC2 ZINC001275882429 984714369 /nfs/dbraw/zinc/71/43/69/984714369.db2.gz OLWBKJITMIGLMI-UHFFFAOYSA-N 2 0 246.358 1.394 20 0 BDADRP CC[N@@H+]1CCC[C@@H](NCC2([NH3+])CCCC2)C1 ZINC001577770978 984775543 /nfs/dbraw/zinc/77/55/43/984775543.db2.gz QTFLOYCWEHYBGC-GFCCVEGCSA-N 2 0 225.380 1.332 20 0 BDADRP Cc1nc[nH]c1C[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001276206235 984829112 /nfs/dbraw/zinc/82/91/12/984829112.db2.gz HNQDTCWUGBMPMU-UHFFFAOYSA-N 2 0 248.374 1.636 20 0 BDADRP CCOC1CC(CC[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)C1 ZINC001578084576 984842901 /nfs/dbraw/zinc/84/29/01/984842901.db2.gz NWWBDOUCPUJFJV-FIYWTHMPSA-N 2 0 240.391 1.907 20 0 BDADRP CCOC1CC(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC001578084429 984843313 /nfs/dbraw/zinc/84/33/13/984843313.db2.gz LLHAZCLZEWWCSI-CQLXCSJHSA-N 2 0 226.364 1.328 20 0 BDADRP CCOC(=O)[C@H]1CC[C@H]([NH2+]CCC[NH+](C)C)C1 ZINC001257024793 984846625 /nfs/dbraw/zinc/84/66/25/984846625.db2.gz PGNHNFSSNLIHPV-RYUDHWBXSA-N 2 0 242.363 1.260 20 0 BDADRP CCO[P@@](C)(=O)CC[C@@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C1 ZINC001578148743 984854282 /nfs/dbraw/zinc/85/42/82/984854282.db2.gz IICCQQUECROYQN-OJLPPKNESA-N 2 0 248.307 1.789 20 0 BDADRP CCO[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC001578148543 984854415 /nfs/dbraw/zinc/85/44/15/984854415.db2.gz BOBBOCZFSBAKGL-BFHYXJOUSA-N 2 0 240.391 1.923 20 0 BDADRP CCO[C@@H]1CCC[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC001578151315 984858456 /nfs/dbraw/zinc/85/84/56/984858456.db2.gz CAMRBRMYHNWOMD-ZIAGYGMSSA-N 2 0 240.391 1.923 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC001578161025 984864625 /nfs/dbraw/zinc/86/46/25/984864625.db2.gz IOSKBTZDDZYBLG-KKOKHZNYSA-N 2 0 224.348 1.413 20 0 BDADRP CC[C@H]1[NH2+]CC[C@@H]1[NH2+][C@@H](C)[C@H]1CCOC1 ZINC001578241732 984894775 /nfs/dbraw/zinc/89/47/75/984894775.db2.gz JHVGZAISZYSROL-YFKTTZPYSA-N 2 0 212.337 1.142 20 0 BDADRP CC[C@H]1[NH2+]CC[C@@H]1N[C@@H]1CCC[N@H+](CC)C1 ZINC001578241588 984896268 /nfs/dbraw/zinc/89/62/68/984896268.db2.gz CXLJGVKQATZSRK-UPJWGTAASA-N 2 0 225.380 1.201 20 0 BDADRP CCc1nc(C[NH2+]C2CC3(C[C@@H]3[NH3+])C2)co1 ZINC001578293121 984951781 /nfs/dbraw/zinc/95/17/81/984951781.db2.gz UFTZKKCYLXFCQA-BSTRBVHOSA-N 2 0 221.304 1.206 20 0 BDADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)[C@@H]1CCC[C@H]1O ZINC001578463320 985100240 /nfs/dbraw/zinc/10/02/40/985100240.db2.gz CEYYHWLDKGJPIK-JHJVBQTASA-N 2 0 226.364 1.221 20 0 BDADRP C[N@@H+]1C[C@@]23CN(CC4C[NH2+]C4)C[C@]2(C1)CCCC3 ZINC001578521296 985145333 /nfs/dbraw/zinc/14/53/33/985145333.db2.gz PUBSSJGVUAKFEX-GASCZTMLSA-N 2 0 249.402 1.014 20 0 BDADRP CN1CC[C@H]([N@H+](C)CCCCCCC[NH3+])C1=O ZINC001578524810 985149499 /nfs/dbraw/zinc/14/94/99/985149499.db2.gz JLCZQEZWTLLBIT-LBPRGKRZSA-N 2 0 241.379 1.058 20 0 BDADRP CN1CCC[C@@H]([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC001578529427 985156346 /nfs/dbraw/zinc/15/63/46/985156346.db2.gz UUPUDWXIZNSHAS-QWHCGFSZSA-N 2 0 237.391 1.345 20 0 BDADRP C[N@@H+]1CCC[C@H]1CNC[C@H]([NH3+])CCC(C)(C)C ZINC001578530213 985159225 /nfs/dbraw/zinc/15/92/25/985159225.db2.gz BYYRSXQVFYJPDR-OLZOCXBDSA-N 2 0 241.423 1.824 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@H]1CCO[C@H](C)C1 ZINC001578571352 985215119 /nfs/dbraw/zinc/21/51/19/985215119.db2.gz MUORNHVDFCSAOS-MXWKQRLJSA-N 2 0 200.326 1.142 20 0 BDADRP C[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)C[C@H]1c1ccccc1 ZINC001578653698 985269200 /nfs/dbraw/zinc/26/92/00/985269200.db2.gz CFNSYNXCCFWOMY-QEJZJMRPSA-N 2 0 248.370 1.650 20 0 BDADRP C[NH2+]C[C@H](O)C[NH+]1CCC(CC(C)C)CC1 ZINC001578654513 985275171 /nfs/dbraw/zinc/27/51/71/985275171.db2.gz RJYMLUPRVRECHZ-ZDUSSCGKSA-N 2 0 228.380 1.325 20 0 BDADRP COC(=O)CC[N@H+](C[C@@H]1C[NH2+]C[C@H]1C)C(C)C ZINC001578804911 985377899 /nfs/dbraw/zinc/37/78/99/985377899.db2.gz MOWJUSJEUJVUKU-NEPJUHHUSA-N 2 0 242.363 1.115 20 0 BDADRP COC1CC(C[NH2+][C@@H]2CC23CC[NH2+]CC3)C1 ZINC001578936635 985545166 /nfs/dbraw/zinc/54/51/66/985545166.db2.gz XGDWSYUYMKEKAW-HTAVTVPLSA-N 2 0 224.348 1.143 20 0 BDADRP CO[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]([NH3+])C2)C12CCC2 ZINC001578935837 985546088 /nfs/dbraw/zinc/54/60/88/985546088.db2.gz LHACVNJMVCAWTD-GWOFURMSSA-N 2 0 210.321 1.023 20 0 BDADRP C(=C/C1CC[NH2+]CC1)\c1ncnc2c1C[NH2+]C2 ZINC001243894137 985572422 /nfs/dbraw/zinc/57/24/22/985572422.db2.gz VABFJPJGHUPPPJ-OWOJBTEDSA-N 2 0 230.315 1.093 20 0 BDADRP COC[C@H](CC(C)C)[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578960272 985576743 /nfs/dbraw/zinc/57/67/43/985576743.db2.gz CCNTZGULYVVNNX-XQQFMLRXSA-N 2 0 228.380 1.765 20 0 BDADRP COCC(C)(C)C[NH2+]CC1(C[NH3+])CCC1 ZINC001578955928 985577242 /nfs/dbraw/zinc/57/72/42/985577242.db2.gz YJZPPCZWAZHVFD-UHFFFAOYSA-N 2 0 214.353 1.378 20 0 BDADRP COC[C@H](CC1CCOCC1)[NH2+]C(C)(C)C[NH3+] ZINC001578960365 985578074 /nfs/dbraw/zinc/57/80/74/985578074.db2.gz GJFIPAVEDJPVJL-LBPRGKRZSA-N 2 0 244.379 1.145 20 0 BDADRP COC[C@H](C[N@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21)C(C)C ZINC001578961073 985581527 /nfs/dbraw/zinc/58/15/27/985581527.db2.gz GAZMRSSQWGNJDR-WUHRBBMRSA-N 2 0 226.364 1.055 20 0 BDADRP COC[C@@H](CC(C)C)[NH2+][C@H](C)CC[NH3+] ZINC001578961288 985584579 /nfs/dbraw/zinc/58/45/79/985584579.db2.gz XFCXTOZDOAJQID-GHMZBOCLSA-N 2 0 202.342 1.374 20 0 BDADRP COCC1(CC[NH2+]C2CC3(C[C@H]3[NH3+])C2)CC1 ZINC001578980823 985606607 /nfs/dbraw/zinc/60/66/07/985606607.db2.gz JXWJSCMCSOPIEK-QWKFWESOSA-N 2 0 224.348 1.273 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]CC[C@H](C)[NH+](C)C)CO1 ZINC000688429287 985635187 /nfs/dbraw/zinc/63/51/87/985635187.db2.gz RDQNPPXNRBNRAJ-QJPTWQEYSA-N 2 0 214.353 1.484 20 0 BDADRP [NH3+]CCc1cccc(C2=C[NH2+]CCC2)c1 ZINC001243950768 985649828 /nfs/dbraw/zinc/64/98/28/985649828.db2.gz MQPGJYSISJELCV-UHFFFAOYSA-N 2 0 202.301 1.912 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+]C[C@H]1CC[C@@H](C)C1 ZINC001579004396 985668738 /nfs/dbraw/zinc/66/87/38/985668738.db2.gz TYPZIJADXCMZFP-WOPDTQHZSA-N 2 0 214.353 1.376 20 0 BDADRP CC[C@@H](CC(F)F)CN(C)CC[NH2+]C ZINC000688750511 985721098 /nfs/dbraw/zinc/72/10/98/985721098.db2.gz MSGMKXULWQQYSY-VIFPVBQESA-N 2 0 208.296 1.819 20 0 BDADRP C[C@@H]1CCC[C@@H](C[NH2+]CC2CC[NH+](C)CC2)O1 ZINC000688854523 985742712 /nfs/dbraw/zinc/74/27/12/985742712.db2.gz UJNQJBDJZXVDEM-OCCSQVGLSA-N 2 0 240.391 1.875 20 0 BDADRP C[N@H+](CCO)CCC[NH2+][C@H]1CCCC(C)(C)C1 ZINC001258281989 985788409 /nfs/dbraw/zinc/78/84/09/985788409.db2.gz DKKNNJUYEDJQEY-ZDUSSCGKSA-N 2 0 242.407 1.859 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000689079747 985793843 /nfs/dbraw/zinc/79/38/43/985793843.db2.gz NWBIXSVGGSETND-QNWHQSFQSA-N 2 0 226.364 1.613 20 0 BDADRP COc1cc(CCN[C@@H]2C[NH2+]C[C@@H](C)C2)ccn1 ZINC001579150167 985814012 /nfs/dbraw/zinc/81/40/12/985814012.db2.gz GITUKQVYZUCDQM-AAEUAGOBSA-N 2 0 249.358 1.220 20 0 BDADRP COc1cc(CC[NH2+]C[C@@]2(C)CC[NH2+]C2)ccn1 ZINC001579150580 985816859 /nfs/dbraw/zinc/81/68/59/985816859.db2.gz ODSIYJNVEVYDIF-CQSZACIVSA-N 2 0 249.358 1.222 20 0 BDADRP COc1cncc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1C ZINC001579322385 985842691 /nfs/dbraw/zinc/84/26/91/985842691.db2.gz UOTVMNQLWPGVEG-ZYHUDNBSSA-N 2 0 249.358 1.425 20 0 BDADRP C[C@H](O)[C@H](C)[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC001460691372 985877998 /nfs/dbraw/zinc/87/79/98/985877998.db2.gz KAFXSHXPLAADIA-RYUDHWBXSA-N 2 0 226.364 1.316 20 0 BDADRP C[C@H](O)[C@H](C)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC001460695072 985878266 /nfs/dbraw/zinc/87/82/66/985878266.db2.gz YHTUKHQGMCWWLS-KBPBESRZSA-N 2 0 242.407 1.954 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cccnc2N(C)C)C[C@H]1C[NH3+] ZINC001579440551 985926398 /nfs/dbraw/zinc/92/63/98/985926398.db2.gz LMOBGMVYGWOTRF-DGCLKSJQSA-N 2 0 248.374 1.174 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@H](O)CC12CCC2 ZINC001579454619 985942459 /nfs/dbraw/zinc/94/24/59/985942459.db2.gz PCGZNXMXSFUPCP-FRRDWIJNSA-N 2 0 238.375 1.221 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC001579454713 985946861 /nfs/dbraw/zinc/94/68/61/985946861.db2.gz XMGIJTUYPUXTQP-YIYPIFLZSA-N 2 0 240.391 1.325 20 0 BDADRP C/C=C(\NC=[NH2+])c1cccc(OCC[NH3+])c1 ZINC001244321462 985947636 /nfs/dbraw/zinc/94/76/36/985947636.db2.gz ZFVWUZLSGPVZGD-OIXVIMQBSA-N 2 0 219.288 1.582 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@]12C[C@H]1COC21CCC1 ZINC001579460662 985953071 /nfs/dbraw/zinc/95/30/71/985953071.db2.gz DSVPEWXHUDMYNM-OWTLIXCDSA-N 2 0 236.359 1.143 20 0 BDADRP C[C@H]([NH2+]C[C@@](C)(O)C[NH3+])c1ccc(Cl)s1 ZINC001579485757 986012479 /nfs/dbraw/zinc/01/24/79/986012479.db2.gz NJHHAXOLLLYWBZ-XVKPBYJWSA-N 2 0 248.779 1.762 20 0 BDADRP C[C@H]1C[C@@H](O)C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001579495984 986022415 /nfs/dbraw/zinc/02/24/15/986022415.db2.gz KHVUEANVBGTRCN-APYLGABCSA-N 2 0 238.375 1.220 20 0 BDADRP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc[nH]c1=O ZINC001276328540 986024254 /nfs/dbraw/zinc/02/42/54/986024254.db2.gz VTGKWDPOSRIBKX-YHWZYXNKSA-N 2 0 247.342 1.502 20 0 BDADRP C[C@H]1[NH2+]CCC[C@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001579499608 986027700 /nfs/dbraw/zinc/02/77/00/986027700.db2.gz XKGPKQXVEHNOSD-ZOBORPQBSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@H]1[NH2+]CC[C@@H]1[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC001579505284 986046224 /nfs/dbraw/zinc/04/62/24/986046224.db2.gz TWCVIUAUEYHTLC-UPJWGTAASA-N 2 0 238.375 1.818 20 0 BDADRP C[C@H]1[C@@H](O)CC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC001579507934 986056702 /nfs/dbraw/zinc/05/67/02/986056702.db2.gz NYKNQZWTGYWCSD-NHYWBVRUSA-N 2 0 246.354 1.287 20 0 BDADRP [NH3+]C[C@@H]1CCCC[N@H+](Cc2cccc(=O)[nH]2)C1 ZINC001206615026 986086180 /nfs/dbraw/zinc/08/61/80/986086180.db2.gz AOCGZQAFOIQAFG-NSHDSACASA-N 2 0 235.331 1.348 20 0 BDADRP Cc1cc(C)c2c(c1)CC[N@@H+](C[C@H](O)CC[NH3+])C2 ZINC001579577047 986091438 /nfs/dbraw/zinc/09/14/38/986091438.db2.gz WPAJCORVNSMKNB-CQSZACIVSA-N 2 0 248.370 1.371 20 0 BDADRP Cc1cc(C[NH2+]C[C@@H](C)C[NH3+])cc(C)n1 ZINC001579600908 986111519 /nfs/dbraw/zinc/11/15/19/986111519.db2.gz DMNRLGIBQBEGJR-VIFPVBQESA-N 2 0 207.321 1.383 20 0 BDADRP Cc1ccc(C[NH2+]C/C=C/C[NH3+])c(F)c1 ZINC001579696719 986189495 /nfs/dbraw/zinc/18/94/95/986189495.db2.gz BKJUKXPAPCSXLL-NSCUHMNNSA-N 2 0 208.280 1.739 20 0 BDADRP COCC(C)(C)C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001461829128 986195597 /nfs/dbraw/zinc/19/55/97/986195597.db2.gz KTWUGHDCQMHURJ-RWMBFGLXSA-N 2 0 240.391 1.589 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CC[C@@H](C)[C@@H]2CO)CC1 ZINC001462092783 986281562 /nfs/dbraw/zinc/28/15/62/986281562.db2.gz KJWPARMDGQMRNM-OCCSQVGLSA-N 2 0 240.391 1.421 20 0 BDADRP Cc1ncc(C[NH2+]C[C@H]2CCC[NH2+]CC2)n1C ZINC001579878447 986297348 /nfs/dbraw/zinc/29/73/48/986297348.db2.gz PNKLBGDYMJMKMN-LBPRGKRZSA-N 2 0 236.363 1.208 20 0 BDADRP Cc1ncsc1CCCN(C)CC[NH3+] ZINC001579887932 986304007 /nfs/dbraw/zinc/30/40/07/986304007.db2.gz KSCKFBCWIDUGFX-UHFFFAOYSA-N 2 0 213.350 1.275 20 0 BDADRP CC[NH+]1CCC(C[NH2+]C[C@@H]2CC[C@@H](O)C2)CC1 ZINC001462190022 986308636 /nfs/dbraw/zinc/30/86/36/986308636.db2.gz IWKZYVPLHJDFKS-ZIAGYGMSSA-N 2 0 240.391 1.469 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@@H](O)C1 ZINC001258907033 986311406 /nfs/dbraw/zinc/31/14/06/986311406.db2.gz DEXITYAKJNNTHJ-ZIAGYGMSSA-N 2 0 242.407 1.954 20 0 BDADRP CC[NH+]1CCC(C[NH2+]C[C@H]2CC(C)=NO2)CC1 ZINC001462465100 986381880 /nfs/dbraw/zinc/38/18/80/986381880.db2.gz DUNHLGDBECXZIA-CYBMUJFWSA-N 2 0 239.363 1.473 20 0 BDADRP CC(C)[C@@H](O)C[NH2+]CC1CC[NH+](C(C)C)CC1 ZINC001253778600 986414675 /nfs/dbraw/zinc/41/46/75/986414675.db2.gz WYYWNYWKJBHUJT-AWEZNQCLSA-N 2 0 242.407 1.713 20 0 BDADRP [NH3+][C@H]1CC12CC([NH2+]CCCc1ccco1)C2 ZINC001580164304 986634115 /nfs/dbraw/zinc/63/41/15/986634115.db2.gz GXUKRLRWRGXRLM-YDGIUTOCSA-N 2 0 220.316 1.682 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+]CC[C@H](O)C1CCCC1)C2 ZINC001580164819 986635694 /nfs/dbraw/zinc/63/56/94/986635694.db2.gz JWIUTWNQWPIQCH-YIFLHPOLSA-N 2 0 238.375 1.397 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+]CC1(C3(O)CCC3)CC1)C2 ZINC001580164323 986637103 /nfs/dbraw/zinc/63/71/03/986637103.db2.gz HFEMIXUYGMKBSJ-MOENNCHZSA-N 2 0 236.359 1.151 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC[C@H](O)C2CCCC2)C1 ZINC001580175138 986647788 /nfs/dbraw/zinc/64/77/88/986647788.db2.gz CGUQNBJDBQXHKZ-MCIONIFRSA-N 2 0 240.391 1.787 20 0 BDADRP [NH3+]C1CCC([NH2+][C@H]2CCC3(C2)OCCO3)CC1 ZINC001580173286 986650263 /nfs/dbraw/zinc/65/02/63/986650263.db2.gz JOMKZDQKRKTTOA-MCIGGMRASA-N 2 0 240.347 1.142 20 0 BDADRP C[C@@H]1CC[N@@H+]([C@H]2CCC[NH+](C)CC2)CC[C@H]1O ZINC001254515910 986655891 /nfs/dbraw/zinc/65/58/91/986655891.db2.gz GKLQYANRTFLHIT-HZSPNIEDSA-N 2 0 240.391 1.564 20 0 BDADRP [NH3+]CC(=O)Nc1cccc2c1C[N@@H+](C1CC1)C2 ZINC001580213487 986660706 /nfs/dbraw/zinc/66/07/06/986660706.db2.gz LFAIIDYFBYHRIB-UHFFFAOYSA-N 2 0 231.299 1.062 20 0 BDADRP C[NH+](C)[C@@H]1CCCN([C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254523632 986660770 /nfs/dbraw/zinc/66/07/70/986660770.db2.gz QJURLFBWLOQYLB-ZIAGYGMSSA-N 2 0 239.407 1.497 20 0 BDADRP C[NH+](C)[C@@H]1CCCN([C@H]2CCC[N@H+](C)CC2)C1 ZINC001254523631 986663568 /nfs/dbraw/zinc/66/35/68/986663568.db2.gz QJURLFBWLOQYLB-UONOGXRCSA-N 2 0 239.407 1.497 20 0 BDADRP CC(C)O[C@H]1CC[N@@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254530577 986677130 /nfs/dbraw/zinc/67/71/30/986677130.db2.gz YUJJXSHIRAHVNY-KGLIPLIRSA-N 2 0 240.391 1.970 20 0 BDADRP [NH3+]CC1(C[NH2+]C[C@H](CO)CC2CC2)CCC1 ZINC001580244442 986695885 /nfs/dbraw/zinc/69/58/85/986695885.db2.gz XCLCOUXADBGTDL-GFCCVEGCSA-N 2 0 226.364 1.114 20 0 BDADRP [NH3+]CC1(C[NH+]2CC(C3CCCC3)C2)CC1 ZINC001580243982 986697027 /nfs/dbraw/zinc/69/70/27/986697027.db2.gz NILRRNPOVBGVDP-UHFFFAOYSA-N 2 0 208.349 1.847 20 0 BDADRP [NH3+]CC1(C[NH2+][C@H](CCO)Cc2ccccc2)CC1 ZINC001580243312 986698383 /nfs/dbraw/zinc/69/83/83/986698383.db2.gz BJOXTIBYFLTBGE-CQSZACIVSA-N 2 0 248.370 1.309 20 0 BDADRP [NH3+]C[C@]12CN(Cc3c[nH]cn3)C[C@H]1CCCC2 ZINC001580256901 986710146 /nfs/dbraw/zinc/71/01/46/986710146.db2.gz ZOXQHRWNIHMLCE-DGCLKSJQSA-N 2 0 234.347 1.361 20 0 BDADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001580260802 986713564 /nfs/dbraw/zinc/71/35/64/986713564.db2.gz SDNSANRBXNIXQN-HGCLJGPKSA-N 2 0 210.321 1.023 20 0 BDADRP [NH3+]C[C@@H]1CCCC12CC[NH+](Cc1cc[nH]n1)CC2 ZINC001580261173 986716037 /nfs/dbraw/zinc/71/60/37/986716037.db2.gz WVPDTMPODDQESI-LBPRGKRZSA-N 2 0 248.374 1.751 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](Cc2cn(C3CC3)cn2)C1 ZINC001580288134 986734607 /nfs/dbraw/zinc/73/46/07/986734607.db2.gz BXVSUSGOPFMBCC-NSHDSACASA-N 2 0 234.347 1.389 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2C[C@@H](O)C23CCC3)C1 ZINC001580389530 986816771 /nfs/dbraw/zinc/81/67/71/986816771.db2.gz MXOHKJPSAFFGQU-WHOHXGKFSA-N 2 0 224.348 1.007 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+]Cc2ccc3c[nH]nc3c2)C1 ZINC001580389194 986817560 /nfs/dbraw/zinc/81/75/60/986817560.db2.gz CQUMZRYPBONKME-GXFFZTMASA-N 2 0 244.342 1.780 20 0 BDADRP CC[NH+](CC)C[C@H](O)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000383746169 986826165 /nfs/dbraw/zinc/82/61/65/986826165.db2.gz JDVXYCRYLCWVTK-MJBXVCDLSA-N 2 0 242.407 1.952 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@]23CCC[C@H]2OCC3)C1 ZINC001580421224 986837818 /nfs/dbraw/zinc/83/78/18/986837818.db2.gz DMGITNTYVDPDTN-KXNHARMFSA-N 2 0 210.321 1.025 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCSC[C@@H]2C2CCC2)C1 ZINC001580419181 986838470 /nfs/dbraw/zinc/83/84/70/986838470.db2.gz VRQGQHSXIXZVKU-KGYLQXTDSA-N 2 0 240.416 1.941 20 0 BDADRP CC[C@H]1CCC[N@H+](C[C@H](O)C[NH+](CC)CC)C1 ZINC000384055690 986843036 /nfs/dbraw/zinc/84/30/36/986843036.db2.gz XIQQOIPWLIEJEG-UONOGXRCSA-N 2 0 242.407 1.811 20 0 BDADRP C/C=C(\NC=[NH2+])C1=CC[C@@H]([NH+]2CCOCC2)CC1 ZINC001245416820 986847280 /nfs/dbraw/zinc/84/72/80/986847280.db2.gz AVFVRCKHHVNDAT-DIDRYLFGSA-N 2 0 249.358 1.898 20 0 BDADRP Nc1ncccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC001580472620 986868464 /nfs/dbraw/zinc/86/84/64/986868464.db2.gz QJXNFUSPNDGKPE-CYZMBNFOSA-N 2 0 246.358 1.142 20 0 BDADRP CCCC[C@H](C)NC(=[NH2+])NCCCC[NH3+] ZINC001255313109 986906422 /nfs/dbraw/zinc/90/64/22/986906422.db2.gz JNCXCNUSBDBCLY-JTQLQIEISA-N 2 0 214.357 1.418 20 0 BDADRP [NH3+]Cc1cccc(-c2ccncc2C[NH3+])n1 ZINC001245556780 986942229 /nfs/dbraw/zinc/94/22/29/986942229.db2.gz DGYPEVKTMKGUPJ-UHFFFAOYSA-N 2 0 214.272 1.061 20 0 BDADRP C[N@@H+]1CC[C@H](n2ccc3cccc(C[NH3+])c32)C1 ZINC001255419382 986942098 /nfs/dbraw/zinc/94/20/98/986942098.db2.gz GYEDZPJOOPSAON-ZDUSSCGKSA-N 2 0 229.327 1.977 20 0 BDADRP [NH3+]Cc1cnccc1-c1cccc2c1C[NH2+]C2 ZINC001245558615 986951318 /nfs/dbraw/zinc/95/13/18/986951318.db2.gz VWERCFJGLWBKLZ-UHFFFAOYSA-N 2 0 225.295 1.811 20 0 BDADRP C[C@H]([NH3+])c1ccc(-c2ccncc2C[NH3+])cn1 ZINC001245560570 986953732 /nfs/dbraw/zinc/95/37/32/986953732.db2.gz JOORIJQRLVQENK-VIFPVBQESA-N 2 0 228.299 1.622 20 0 BDADRP COC[C@@H](C)[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC001255580491 987026370 /nfs/dbraw/zinc/02/63/70/987026370.db2.gz ZSLXAKFFPNKXFU-CYBMUJFWSA-N 2 0 249.358 1.547 20 0 BDADRP Cc1cc(C[NH3+])nn1C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255666222 987048211 /nfs/dbraw/zinc/04/82/11/987048211.db2.gz WEDUYYSWUQHXTF-PBWFPOADSA-N 2 0 248.374 1.838 20 0 BDADRP C[C@@H](Cc1ccccn1)[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC001256408600 987211240 /nfs/dbraw/zinc/21/12/40/987211240.db2.gz AEKCIPSIXXHGIB-WCFLWFBJSA-N 2 0 219.332 1.482 20 0 BDADRP CCCC[C@H](O)C[NH2+]CC1([NH3+])CCCC1 ZINC001245977553 987244993 /nfs/dbraw/zinc/24/49/93/987244993.db2.gz YKRCFRNJSAVHKV-NSHDSACASA-N 2 0 214.353 1.399 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+]C[C@H](O)c2ccccc2)C[NH2+]1 ZINC001245977612 987250592 /nfs/dbraw/zinc/25/05/92/987250592.db2.gz WVGLFKZNBLUKFI-NFAWXSAZSA-N 2 0 248.370 1.698 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1C[NH2+]C[C@H](O)C(C)(C)C ZINC001245984598 987266377 /nfs/dbraw/zinc/26/63/77/987266377.db2.gz QYBRELLAURCCIZ-SRVKXCTJSA-N 2 0 228.380 1.371 20 0 BDADRP CC(C)(C)[C@H](O)C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246019623 987307950 /nfs/dbraw/zinc/30/79/50/987307950.db2.gz GPHXRWJDZACERQ-OCCSQVGLSA-N 2 0 242.407 1.844 20 0 BDADRP CCC[C@@H](O)C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246020200 987308000 /nfs/dbraw/zinc/30/80/00/987308000.db2.gz IJJYACPZOZEWAZ-OLZOCXBDSA-N 2 0 228.380 1.598 20 0 BDADRP CCCC[C@H](O)C[N@@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001246023259 987312273 /nfs/dbraw/zinc/31/22/73/987312273.db2.gz PDIBKHWQPVCSSL-MJBXVCDLSA-N 2 0 242.407 1.844 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CO1 ZINC000693678346 987312565 /nfs/dbraw/zinc/31/25/65/987312565.db2.gz BVYHBTCIRFJHBY-RXGFPQBGSA-N 2 0 238.375 1.530 20 0 BDADRP C[C@H](CCO)C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693707634 987313781 /nfs/dbraw/zinc/31/37/81/987313781.db2.gz QWOFYVUASMIZLB-FVCCEPFGSA-N 2 0 240.391 1.371 20 0 BDADRP CC(C)[C@@H](O)C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246022013 987315232 /nfs/dbraw/zinc/31/52/32/987315232.db2.gz ODGXZYLWNGPKAG-QWHCGFSZSA-N 2 0 228.380 1.454 20 0 BDADRP CCCCC[C@@H](O)C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246028122 987326319 /nfs/dbraw/zinc/32/63/19/987326319.db2.gz ABPYXJATMQMKSR-UONOGXRCSA-N 2 0 242.407 1.988 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C[C@H](C)O1 ZINC000697036796 987346942 /nfs/dbraw/zinc/34/69/42/987346942.db2.gz MAPLQEMCPPZQHR-HZSPNIEDSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CCCC[NH2+]C2)CCS1 ZINC000697054088 987347909 /nfs/dbraw/zinc/34/79/09/987347909.db2.gz ZZDVNRVRNFSCRE-NEPJUHHUSA-N 2 0 228.405 1.813 20 0 BDADRP C[NH2+]CCN[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246073188 987361289 /nfs/dbraw/zinc/36/12/89/987361289.db2.gz QNDHELLWLDCQTK-LSDHHAIUSA-N 2 0 247.386 1.159 20 0 BDADRP CC[C@@H]1C[C@H](NCC2([NH3+])CCCC2)CC[NH2+]1 ZINC001246075757 987362494 /nfs/dbraw/zinc/36/24/94/987362494.db2.gz MPXDXKNGAWIMQF-VXGBXAGGSA-N 2 0 225.380 1.378 20 0 BDADRP Cc1cc(NCC[C@@H](C)[NH+](C)C)nc(N)[nH+]1 ZINC000697823573 987365815 /nfs/dbraw/zinc/36/58/15/987365815.db2.gz WRFVERBRZOVDSY-SECBINFHSA-N 2 0 223.324 1.119 20 0 BDADRP CCCC[C@@H](CC)[NH2+][C@@H](C)CN1CC[NH2+]CC1 ZINC001246079191 987373832 /nfs/dbraw/zinc/37/38/32/987373832.db2.gz JHSOZXFCJXJOEE-UONOGXRCSA-N 2 0 241.423 1.839 20 0 BDADRP CC(C)[C@H]1C[C@H](NC2CC[NH2+]CC2)CC[NH2+]1 ZINC001246079469 987374236 /nfs/dbraw/zinc/37/42/36/987374236.db2.gz PVJKBOAFSRFKQC-CHWSQXEVSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@H]1CC[C@H](N[C@@H]2CC3CC[NH+](CC3)C2)C[NH2+]1 ZINC001246081278 987374993 /nfs/dbraw/zinc/37/49/93/987374993.db2.gz RSIVNCHCTXZWQX-FPMFFAJLSA-N 2 0 237.391 1.201 20 0 BDADRP C1CC2(C1)C[C@@H](NC1CC[NH2+]CC1)CC[NH2+]2 ZINC001246082921 987381139 /nfs/dbraw/zinc/38/11/39/987381139.db2.gz YTKBDTUWWSAWGH-LBPRGKRZSA-N 2 0 223.364 1.003 20 0 BDADRP COC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)C(C)C ZINC001246090736 987396540 /nfs/dbraw/zinc/39/65/40/987396540.db2.gz YOZMGIPTIBMQMM-IJLUTSLNSA-N 2 0 214.353 1.388 20 0 BDADRP C[C@]1(C[NH2+]C2CC[NH2+]CC2)CCC[NH2+]CC1 ZINC001246092001 987397445 /nfs/dbraw/zinc/39/74/45/987397445.db2.gz BUJSMRSDJDEPNU-ZDUSSCGKSA-N 3 0 225.380 1.108 20 0 BDADRP CCOC(=O)CC(C)(C)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC001246090785 987398684 /nfs/dbraw/zinc/39/86/84/987398684.db2.gz ZNLXQAMEMVBISM-MNOVXSKESA-N 2 0 242.363 1.448 20 0 BDADRP CC[C@@H]1C[C@@H](N[C@@]2(C)CC[NH2+]C2)C[C@H](CC)[NH2+]1 ZINC001246092026 987399036 /nfs/dbraw/zinc/39/90/36/987399036.db2.gz BPIJZABICUZEKO-CRWXNKLISA-N 2 0 239.407 1.637 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCC[NH2+]CC2)CC[NH2+]1 ZINC001246093857 987403347 /nfs/dbraw/zinc/40/33/47/987403347.db2.gz LFZPYVVNLOGEGO-MCIONIFRSA-N 3 0 239.407 1.496 20 0 BDADRP C[C@@H]1CC[C@@H](CN[C@H]2CC[NH2+][C@H](C)C2)C[NH2+]1 ZINC001246096842 987408230 /nfs/dbraw/zinc/40/82/30/987408230.db2.gz NAYSBABUHDRKKL-LPWJVIDDSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1C[C@@H](N[C@H]2CC[NH2+]CC[C@H]2C)CC[NH2+]1 ZINC001246096301 987411145 /nfs/dbraw/zinc/41/11/45/987411145.db2.gz UAWRAZARPZEOHE-NDBYEHHHSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1CC(N[C@H]2C[NH2+]CC[C@H]2C)C[C@@H](C)[NH2+]1 ZINC001246098098 987414781 /nfs/dbraw/zinc/41/47/81/987414781.db2.gz PDVWIGAHNKASIH-UZWSLXQKSA-N 2 0 225.380 1.103 20 0 BDADRP C[C@@H]1CC[C@H](N[C@@]2(C)CCC[NH2+]CC2)C[NH2+]1 ZINC001246100090 987417738 /nfs/dbraw/zinc/41/77/38/987417738.db2.gz LJRSEDWPAKTZOH-AGIUHOORSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@@H]1CC[C@H](CNC2C[C@@H](C)[NH2+][C@H](C)C2)[NH2+]C1 ZINC001246104034 987428759 /nfs/dbraw/zinc/42/87/59/987428759.db2.gz IJSHOOPATNJRND-FDYHWXHSSA-N 2 0 239.407 1.493 20 0 BDADRP F[C@@]1(CN[C@@H]2CCCC[NH2+]C2)CCCC[NH2+]C1 ZINC001246105390 987431392 /nfs/dbraw/zinc/43/13/92/987431392.db2.gz BFYAEZYVCIRVPA-OLZOCXBDSA-N 2 0 243.370 1.200 20 0 BDADRP CCOCC[C@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001246104269 987432077 /nfs/dbraw/zinc/43/20/77/987432077.db2.gz UPYYWKNERXVHTQ-AVGNSLFASA-N 2 0 228.380 1.637 20 0 BDADRP C[C@H]1CC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)[NH2+]C1 ZINC001246105467 987433603 /nfs/dbraw/zinc/43/36/03/987433603.db2.gz BMYMXJBHQSAZBO-VJBQPNPTSA-N 2 0 237.391 1.247 20 0 BDADRP CC[NH+]1CCC(NC[C@@H]2CC[C@H](C)C[NH2+]2)CC1 ZINC001246105150 987433615 /nfs/dbraw/zinc/43/36/15/987433615.db2.gz MGJSYOOUULHGAY-JSGCOSHPSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]1CC[C@H](NC[C@@]2(F)CCCC[NH2+]C2)C[NH2+]1 ZINC001246105281 987434277 /nfs/dbraw/zinc/43/42/77/987434277.db2.gz BCJZKCLQWXUJAX-FRRDWIJNSA-N 2 0 243.370 1.198 20 0 BDADRP CC[NH+]1CCC(NC[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC001246106781 987438355 /nfs/dbraw/zinc/43/83/55/987438355.db2.gz FTFLTENTOGJJOR-OLZOCXBDSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001246110350 987441587 /nfs/dbraw/zinc/44/15/87/987441587.db2.gz LKZXDNDVMGHFIY-PJIALRRASA-N 2 0 236.359 1.450 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1CN[C@@H]1CCCC[NH2+]C1 ZINC001246112595 987448952 /nfs/dbraw/zinc/44/89/52/987448952.db2.gz RSBLLRQSLSESMV-YNEHKIRRSA-N 2 0 225.380 1.106 20 0 BDADRP [NH3+][C@H]1Cc2ccccc2N([C@@H]2CCC[NH2+]C2)C1 ZINC001246113082 987450666 /nfs/dbraw/zinc/45/06/66/987450666.db2.gz IMIYOGFNRWISNF-QWHCGFSZSA-N 2 0 231.343 1.128 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+][C@H]1CCCSC1 ZINC001246113850 987450828 /nfs/dbraw/zinc/45/08/28/987450828.db2.gz UKOGGCWQJKRUDY-TUAOUCFPSA-N 2 0 228.405 1.860 20 0 BDADRP C[C@@H]1CC[C@H](CNC2CC[NH+](C)CC2)[NH2+]C1 ZINC001246115948 987453621 /nfs/dbraw/zinc/45/36/21/987453621.db2.gz UBFXFGWJPUCYRL-DGCLKSJQSA-N 2 0 225.380 1.058 20 0 BDADRP [NH3+][C@H]1Cc2ccccc2N(C2CC[NH2+]CC2)C1 ZINC001246115732 987456313 /nfs/dbraw/zinc/45/63/13/987456313.db2.gz VCIXZWOCHSPFKE-LBPRGKRZSA-N 2 0 231.343 1.128 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2CCC[NH2+]C[C@H]2C)CC[NH2+]1 ZINC001246119622 987463192 /nfs/dbraw/zinc/46/31/92/987463192.db2.gz WRTCEFPMHBYMRI-FDYHWXHSSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1CC[C@@H](NC[C@H]2CCCC[NH2+]C2)C[NH2+]1 ZINC001246117896 987464178 /nfs/dbraw/zinc/46/41/78/987464178.db2.gz MVXFCOIYMFJOBR-FRRDWIJNSA-N 2 0 225.380 1.106 20 0 BDADRP C[C@@H]1C[NH2+]CCC[C@H]1N[C@H]1CCCC[NH2+]C1 ZINC001246117902 987464188 /nfs/dbraw/zinc/46/41/88/987464188.db2.gz NCJDWMNYNYFNTK-FRRDWIJNSA-N 2 0 225.380 1.106 20 0 BDADRP CC(C)C[C@H](C)C[C@@H](C)[NH2+]CCC1(O)C[NH2+]C1 ZINC001246117859 987464341 /nfs/dbraw/zinc/46/43/41/987464341.db2.gz MHYNBEKJNZRJIP-QWHCGFSZSA-N 2 0 242.407 1.761 20 0 BDADRP CCCCC[C@H](CC)[NH2+]CCN1CC[NH2+]CC1 ZINC001246120922 987468068 /nfs/dbraw/zinc/46/80/68/987468068.db2.gz QEZTZXJRJWPFOM-AWEZNQCLSA-N 2 0 241.423 1.840 20 0 BDADRP CCCC[C@H]1C[C@H](NC2(C)C[NH2+]C2)CC[NH2+]1 ZINC001246123215 987468933 /nfs/dbraw/zinc/46/89/33/987468933.db2.gz UJPMAKSHHFNDFF-NWDGAFQWSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1C[NH2+][C@H]1CCCOCC1 ZINC001246122641 987468831 /nfs/dbraw/zinc/46/88/31/987468831.db2.gz YKEHBOVOUJPDSE-AGIUHOORSA-N 2 0 226.364 1.391 20 0 BDADRP C[C@H]([NH3+])c1nc2ccccc2n1C1CC[NH2+]CC1 ZINC001246121441 987470001 /nfs/dbraw/zinc/47/00/01/987470001.db2.gz QDCLPJFKOUNLDD-JTQLQIEISA-N 2 0 244.342 1.981 20 0 BDADRP C1[C@H]2C[NH2+]C[C@@]12N[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246133970 987490125 /nfs/dbraw/zinc/49/01/25/987490125.db2.gz KVHHHYQLLUZLJB-YDHLFZDLSA-N 2 0 249.402 1.393 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCC23CC[NH2+]CC3)CN1 ZINC001246137614 987495832 /nfs/dbraw/zinc/49/58/32/987495832.db2.gz JMKMVQNOKFLQLJ-UPJWGTAASA-N 2 0 237.391 1.249 20 0 BDADRP CC[C@@H](C)C[C@H](CC)[NH2+][C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001246139899 987497039 /nfs/dbraw/zinc/49/70/39/987497039.db2.gz XOROEVNUHAOOGU-XVIXHAIJSA-N 2 0 240.391 1.778 20 0 BDADRP c1ccc([C@@H]2[NH2+]CC[C@H]2N[C@H]2CCC[NH2+]C2)cc1 ZINC001246141502 987499404 /nfs/dbraw/zinc/49/94/04/987499404.db2.gz LQIKMVCQEHUWBE-ZNMIVQPWSA-N 2 0 245.370 1.431 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCC(=O)OC(C)(C)C)CC[NH2+]1 ZINC001246153207 987499541 /nfs/dbraw/zinc/49/95/41/987499541.db2.gz MJAZYYSGNSEKAJ-WDEREUQCSA-N 2 0 242.363 1.448 20 0 BDADRP c1ccc([C@@H]2[NH2+]CC[C@H]2NC2CC[NH2+]CC2)cc1 ZINC001246146161 987503406 /nfs/dbraw/zinc/50/34/06/987503406.db2.gz ZEKAJJKRIWEQDE-CABCVRRESA-N 2 0 245.370 1.431 20 0 BDADRP CC[C@@H](C)C[C@H](CC)[NH2+][C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001246150865 987507575 /nfs/dbraw/zinc/50/75/75/987507575.db2.gz XOROEVNUHAOOGU-XHJNMGKDSA-N 2 0 240.391 1.778 20 0 BDADRP CC[C@@H](C)C[C@@H](CC)[NH2+][C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001246150863 987509087 /nfs/dbraw/zinc/50/90/87/987509087.db2.gz XOROEVNUHAOOGU-XGFWRYKXSA-N 2 0 240.391 1.778 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+][C@H]2CO[C@@H]3C[NH2+]C[C@H]23)C[C@H]1C ZINC001246151192 987511583 /nfs/dbraw/zinc/51/15/83/987511583.db2.gz ZFZFCYXPTUHIIO-IKKURHKOSA-N 2 0 238.375 1.388 20 0 BDADRP C[NH2+]CC[C@H](C)N[C@H]1C[NH2+]Cc2ccsc21 ZINC001246150800 987512707 /nfs/dbraw/zinc/51/27/07/987512707.db2.gz YJDQRIPDPNWDRK-ONGXEEELSA-N 2 0 239.388 1.480 20 0 BDADRP CCC[NH+](CCC)CCN[C@H]1CC[NH2+][C@H](C)C1 ZINC001246161001 987519845 /nfs/dbraw/zinc/51/98/45/987519845.db2.gz IFIPBOMVTOWBEN-KGLIPLIRSA-N 2 0 241.423 1.839 20 0 BDADRP C[C@@H]1CC[C@H](Nc2ccc(CC[NH3+])cc2)C[NH2+]1 ZINC001246160297 987523136 /nfs/dbraw/zinc/52/31/36/987523136.db2.gz FRYZIKKRNPHMHA-RISCZKNCSA-N 2 0 233.359 1.740 20 0 BDADRP c1ccc(C[NH2+]CCN[C@H]2CCCC[NH2+]C2)cc1 ZINC001246165770 987529272 /nfs/dbraw/zinc/52/92/72/987529272.db2.gz LROXCAJMGVTEIK-HNNXBMFYSA-N 2 0 247.386 1.508 20 0 BDADRP [NH3+]CCCN(C1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC001246178937 987544414 /nfs/dbraw/zinc/54/44/14/987544414.db2.gz PEVGABRVOMJPPS-CQSZACIVSA-N 2 0 239.407 1.722 20 0 BDADRP C[NH2+]CC[C@H](C)[NH2+][C@@H](C)c1cccc(N)c1 ZINC001246175666 987544775 /nfs/dbraw/zinc/54/47/75/987544775.db2.gz MBTDGKAECJJZFQ-QWRGUYRKSA-N 2 0 221.348 1.917 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCn2cccc2)CC[NH2+]1 ZINC001246174462 987545237 /nfs/dbraw/zinc/54/52/37/987545237.db2.gz QKTGAOMMLBVJDJ-NWDGAFQWSA-N 2 0 207.321 1.218 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCCc2ccncc2)CC[NH2+]1 ZINC001246176251 987545297 /nfs/dbraw/zinc/54/52/97/987545297.db2.gz NUQDSWOGAVPHQO-OCCSQVGLSA-N 2 0 233.359 1.744 20 0 BDADRP CCCN(CCC[NH3+])[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246179735 987549945 /nfs/dbraw/zinc/54/99/45/987549945.db2.gz RIPQYUKTGJBPIQ-NWDGAFQWSA-N 2 0 213.369 1.188 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N[C@@H]2CCCC[C@H]2[NH3+])CC[NH2+]1 ZINC001246181200 987552264 /nfs/dbraw/zinc/55/22/64/987552264.db2.gz MOKKEHHXEVMFMS-DGAVXFQQSA-N 2 0 239.407 1.623 20 0 BDADRP CC(C)[C@@H]1C[C@H](N[C@@H]2CCCC[C@H]2[NH3+])CC[NH2+]1 ZINC001246181213 987552642 /nfs/dbraw/zinc/55/26/42/987552642.db2.gz MOKKEHHXEVMFMS-SYQHCUMBSA-N 2 0 239.407 1.623 20 0 BDADRP [NH2+]=C(N[C@H]1CCC[NH2+]C1)c1cc(F)cc(F)c1 ZINC001246181989 987554645 /nfs/dbraw/zinc/55/46/45/987554645.db2.gz OGUWFOXLMPWEEV-NSHDSACASA-N 2 0 239.269 1.632 20 0 BDADRP CCCC[C@H]1C[C@H](N[C@H]2C[NH2+]C[C@H]2F)CC[NH2+]1 ZINC001246187646 987560488 /nfs/dbraw/zinc/56/04/88/987560488.db2.gz VTVWROHYPLUBCO-LOWDOPEQSA-N 2 0 243.370 1.197 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[NH2+]2)C1 ZINC001246186245 987566209 /nfs/dbraw/zinc/56/62/09/987566209.db2.gz GRYPLJCHAMZOKP-UTUOFQBUSA-N 2 0 212.337 1.286 20 0 BDADRP C[C@H]1CC[C@H](n2ccc3cc(C[NH3+])cnc32)C[NH2+]1 ZINC001246189625 987569771 /nfs/dbraw/zinc/56/97/71/987569771.db2.gz OLIRJUVDLYMRFS-GWCFXTLKSA-N 2 0 244.342 1.808 20 0 BDADRP C[C@@H]1C[C@@H](N[C@@]2(C)CCC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC001246188056 987574828 /nfs/dbraw/zinc/57/48/28/987574828.db2.gz HKWTWRGCNFZDCR-RNJOBUHISA-N 2 0 225.380 1.247 20 0 BDADRP C([NH2+]C1CCC2(COC2)CC1)[C@H]1CCC[NH2+]C1 ZINC001246195953 987590697 /nfs/dbraw/zinc/59/06/97/987590697.db2.gz CRHKLTMROQNPEI-LBPRGKRZSA-N 2 0 238.375 1.535 20 0 BDADRP C(N[C@H]1CC2CC[NH+](CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC001246197567 987591191 /nfs/dbraw/zinc/59/11/91/987591191.db2.gz BIQSTNOBUJQVDU-KGLIPLIRSA-N 2 0 237.391 1.060 20 0 BDADRP CCOC(=O)CC[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001246196984 987592200 /nfs/dbraw/zinc/59/22/00/987592200.db2.gz JDZUWFKZWZTOLT-VXGBXAGGSA-N 2 0 242.363 1.307 20 0 BDADRP C(N[C@@H]1CC2CC[NH+](CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC001246197585 987592712 /nfs/dbraw/zinc/59/27/12/987592712.db2.gz BIQSTNOBUJQVDU-ZIAGYGMSSA-N 2 0 237.391 1.060 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])CC2)CC[NH2+]1 ZINC001246199950 987593804 /nfs/dbraw/zinc/59/38/04/987593804.db2.gz BYVKCKAZCFOIEX-NDBYEHHHSA-N 3 0 225.380 1.234 20 0 BDADRP Fc1cccc(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC001246208551 987604289 /nfs/dbraw/zinc/60/42/89/987604289.db2.gz IXPBKVCXILGSON-DHHPTOIESA-N 2 0 235.306 1.593 20 0 BDADRP NC(=[NH2+])N(c1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001246211012 987607791 /nfs/dbraw/zinc/60/77/91/987607791.db2.gz HYDXRSILEAAYJQ-LLVKDONJSA-N 2 0 236.294 1.278 20 0 BDADRP CCCC[C@@H](C)[NH2+]C1CN(C2CC[NH2+]CC2)C1 ZINC001246214524 987610865 /nfs/dbraw/zinc/61/08/65/987610865.db2.gz IRNITVAOSMNZBI-GFCCVEGCSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CN1 ZINC001246220882 987619609 /nfs/dbraw/zinc/61/96/09/987619609.db2.gz GUPQGTSLGDGGEW-POQQGIQPSA-N 2 0 237.391 1.247 20 0 BDADRP C([NH2+][C@@H]1CCCC[NH2+]C1)[C@H]1CCC[NH2+]CC1 ZINC001246225280 987621927 /nfs/dbraw/zinc/62/19/27/987621927.db2.gz OTWCAGVVBCLXMQ-QWHCGFSZSA-N 3 0 225.380 1.108 20 0 BDADRP [NH3+]CC[C@H]1CN([C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC001246234471 987633004 /nfs/dbraw/zinc/63/30/04/987633004.db2.gz IJONKEWURHFTCX-QWHCGFSZSA-N 2 0 245.370 1.691 20 0 BDADRP C[C@H]1CC[C@@H](N(C(N)=[NH2+])c2ccccc2)C[NH2+]1 ZINC001246234506 987633069 /nfs/dbraw/zinc/63/30/69/987633069.db2.gz ILFVZPHGBOQMLS-CMPLNLGQSA-N 2 0 232.331 1.527 20 0 BDADRP NC(=[NH2+])N(c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001246238987 987638101 /nfs/dbraw/zinc/63/81/01/987638101.db2.gz XBJKGGZMCWOXDC-LLVKDONJSA-N 2 0 218.304 1.138 20 0 BDADRP Cc1ccnc(CCC[NH2+]C2CC[NH2+]CC2)c1 ZINC001246238128 987638184 /nfs/dbraw/zinc/63/81/84/987638184.db2.gz FAUFNWSXOZRQJN-UHFFFAOYSA-N 2 0 233.359 1.664 20 0 BDADRP C[C@H]1CC[C@H](n2ncc3c2cccc3C[NH3+])C[NH2+]1 ZINC001246241140 987640416 /nfs/dbraw/zinc/64/04/16/987640416.db2.gz QLABQQSATUVADK-JQWIXIFHSA-N 2 0 244.342 1.808 20 0 BDADRP CO[C@H]1C[NH2+]C[C@@H]1N[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC001246241240 987641173 /nfs/dbraw/zinc/64/11/73/987641173.db2.gz VPZXYJZGBGZUAT-VOAKCMCISA-N 2 0 240.391 1.778 20 0 BDADRP C[C@H]([NH3+])c1ccn([C@H]2CC[C@@H](C)[NH2+]C2)n1 ZINC001246251183 987649735 /nfs/dbraw/zinc/64/97/35/987649735.db2.gz YGWAHSNBBZUHMA-UTLUCORTSA-N 2 0 208.309 1.216 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@@H](C)NC1)C1CC[NH2+]CC1 ZINC001246251990 987649854 /nfs/dbraw/zinc/64/98/54/987649854.db2.gz PWIYDUBDPYDVJC-MDZLAQPJSA-N 3 0 225.380 1.105 20 0 BDADRP Cc1ccnc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001246256100 987653428 /nfs/dbraw/zinc/65/34/28/987653428.db2.gz MNQGVNCYHGAFGA-YIONKMFJSA-N 2 0 245.370 1.805 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CC23CC[NH+](CC2)CC3)CN1 ZINC001246266843 987661999 /nfs/dbraw/zinc/66/19/99/987661999.db2.gz SGDTXLUBSPGNGT-OLZOCXBDSA-N 2 0 237.391 1.202 20 0 BDADRP CCC[NH2+]CCNC1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246267347 987662579 /nfs/dbraw/zinc/66/25/79/987662579.db2.gz GIPFCUMSHHSEMY-GHMZBOCLSA-N 2 0 213.369 1.105 20 0 BDADRP C[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cnccn1 ZINC001246270954 987666095 /nfs/dbraw/zinc/66/60/95/987666095.db2.gz FTGCZSWGQBRNIW-WSMDXJOWSA-N 2 0 232.331 1.410 20 0 BDADRP COc1ccc(CC[NH2+][C@H]2CC[NH2+][C@@H](C)C2)nc1 ZINC001246274669 987669279 /nfs/dbraw/zinc/66/92/79/987669279.db2.gz ZPYOSCSOJXVKAZ-AAEUAGOBSA-N 2 0 249.358 1.363 20 0 BDADRP C[C@@H]1C[C@H](NC[C@H]([NH3+])c2ccccc2)CC[NH2+]1 ZINC001246278899 987672350 /nfs/dbraw/zinc/67/23/50/987672350.db2.gz JPNUKBQDRPGXQO-BNOWGMLFSA-N 2 0 233.359 1.417 20 0 BDADRP c1ccc2c(c1)C[NH2+][C@H](CN[C@H]1CCC[NH2+]C1)C2 ZINC001246277398 987672521 /nfs/dbraw/zinc/67/25/21/987672521.db2.gz IXJKOOAXLKVUJN-GJZGRUSLSA-N 2 0 245.370 1.043 20 0 BDADRP CCCC[C@@H]1C[C@H](N[C@H]2CCC[C@H]2[NH3+])CC[NH2+]1 ZINC001246279330 987672715 /nfs/dbraw/zinc/67/27/15/987672715.db2.gz MRIXLSDMSSVFSG-SYQHCUMBSA-N 2 0 239.407 1.767 20 0 BDADRP CCCC[C@@H]1C[C@H](N[C@@H]2CCC[C@H]2[NH3+])CC[NH2+]1 ZINC001246279327 987673603 /nfs/dbraw/zinc/67/36/03/987673603.db2.gz MRIXLSDMSSVFSG-AAVRWANBSA-N 2 0 239.407 1.767 20 0 BDADRP C[NH2+]CC[C@H](C)NC[C@@H]([NH3+])c1ccccc1 ZINC001246280764 987675602 /nfs/dbraw/zinc/67/56/02/987675602.db2.gz WJCJWGJGOMGJDS-WCQYABFASA-N 2 0 221.348 1.274 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]C3CCCC3)[C@@H]2C1 ZINC001474301168 987683239 /nfs/dbraw/zinc/68/32/39/987683239.db2.gz GKZRGZZBTOPVPV-UHTWSYAYSA-N 2 0 208.349 1.859 20 0 BDADRP C[C@H]([NH3+])CC[NH2+]C1Cc2cc(F)c(F)cc2C1 ZINC001246301313 987696063 /nfs/dbraw/zinc/69/60/63/987696063.db2.gz RFMBVGZWMVXSGS-QMMMGPOBSA-N 2 0 240.297 1.759 20 0 BDADRP C[C@@H]1C[C@@H](n2cccc2CC[NH3+])CC[NH2+]1 ZINC001246308241 987707764 /nfs/dbraw/zinc/70/77/64/987707764.db2.gz GQGWJOXTWZDYJC-PWSUYJOCSA-N 2 0 207.321 1.302 20 0 BDADRP C[C@@H]([NH3+])CCN[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246307638 987708032 /nfs/dbraw/zinc/70/80/32/987708032.db2.gz ZWXGISGYLMFYJB-OLZOCXBDSA-N 2 0 239.407 1.768 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001246307621 987708307 /nfs/dbraw/zinc/70/83/07/987708307.db2.gz ZMZJIUDUFLTKBE-MMWGEVLESA-N 2 0 200.326 1.269 20 0 BDADRP CC1([NH3+])CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246313132 987716068 /nfs/dbraw/zinc/71/60/68/987716068.db2.gz XTUXQYFLIHVHAA-FOSCPWQOSA-N 2 0 223.364 1.083 20 0 BDADRP CC[C@H]([NH3+])CN[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246315827 987719708 /nfs/dbraw/zinc/71/97/08/987719708.db2.gz WBRWKJQECHNHPR-SDDRHHMPSA-N 2 0 227.396 1.480 20 0 BDADRP CC[C@H]([NH3+])CNC1C[C@H](CC)[NH2+][C@@H](CC)C1 ZINC001246316104 987721696 /nfs/dbraw/zinc/72/16/96/987721696.db2.gz XXRMFVONXTWCSZ-SRVKXCTJSA-N 2 0 227.396 1.623 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC001246318673 987725529 /nfs/dbraw/zinc/72/55/29/987725529.db2.gz TVLZIUILFQCSLH-VHSXEESVSA-N 2 0 200.326 1.271 20 0 BDADRP C[NH2+]Cc1cccc(CN[C@@H]2CCC[NH2+]C2)c1 ZINC001246321972 987728468 /nfs/dbraw/zinc/72/84/68/987728468.db2.gz DYGRIDYVPIJQGD-CQSZACIVSA-N 2 0 233.359 1.248 20 0 BDADRP CCCc1cc(C[NH3+])nn1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246320942 987728639 /nfs/dbraw/zinc/72/86/39/987728639.db2.gz LSEHPBGNNYNAMD-ZWNOBZJWSA-N 2 0 236.363 1.607 20 0 BDADRP [NH3+]C[C@H]1CN([C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC001246322355 987729050 /nfs/dbraw/zinc/72/90/50/987729050.db2.gz HGZQPOBBENKDCY-NWDGAFQWSA-N 2 0 231.343 1.301 20 0 BDADRP C[C@H]1CC[C@H](NCc2ccccc2C[NH3+])C[NH2+]1 ZINC001246322925 987729356 /nfs/dbraw/zinc/72/93/56/987729356.db2.gz ICGDHUUNKIOAKD-FZMZJTMJSA-N 2 0 233.359 1.375 20 0 BDADRP C[C@@H]1C[C@H](n2cnc3cccc(C[NH3+])c32)CC[NH2+]1 ZINC001246324668 987730501 /nfs/dbraw/zinc/73/05/01/987730501.db2.gz YZXTXZJCAMIESS-ZYHUDNBSSA-N 2 0 244.342 1.808 20 0 BDADRP [NH3+]Cc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246328811 987735362 /nfs/dbraw/zinc/73/53/62/987735362.db2.gz TWAXYQAUVGLKPE-YIONKMFJSA-N 3 0 245.370 1.518 20 0 BDADRP C[C@@H]1C[C@@H](N2C[C@@H](C[NH3+])c3ccccc32)CC[NH2+]1 ZINC001246329833 987736039 /nfs/dbraw/zinc/73/60/39/987736039.db2.gz XUOFNAMTINVNKR-UPJWGTAASA-N 2 0 245.370 1.689 20 0 BDADRP CC1(C)CC[NH2+]C[C@@H]1N[C@@H]1CCC[NH2+]CC1 ZINC001246329166 987736142 /nfs/dbraw/zinc/73/61/42/987736142.db2.gz LZXZKEVRURXBMR-NEPJUHHUSA-N 2 0 225.380 1.106 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C2CCC(CCO)CC2)CC[NH2+]1 ZINC001246331400 987737115 /nfs/dbraw/zinc/73/71/15/987737115.db2.gz BGIZMALTCRKZCU-BLYZHGLHSA-N 2 0 240.391 1.658 20 0 BDADRP CC(C)([NH3+])C(C)(C)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246337989 987744675 /nfs/dbraw/zinc/74/46/75/987744675.db2.gz ZBNZCXOHXGAGRG-ZACCUICWSA-N 2 0 225.380 1.375 20 0 BDADRP C[C@H]1C[C@H]([NH2+][C@@]23CC[C@@]([NH3+])(C2)CCC3)CCO1 ZINC001246338929 987749017 /nfs/dbraw/zinc/74/90/17/987749017.db2.gz HIQWZBVVZUITSN-DGAVXFQQSA-N 2 0 238.375 1.948 20 0 BDADRP C[C@@H]1CC[C@H](NCC[NH+]2CCC(F)CC2)C[NH2+]1 ZINC001246342311 987752239 /nfs/dbraw/zinc/75/22/39/987752239.db2.gz RGILMEVJZXCEMH-YPMHNXCESA-N 2 0 243.370 1.150 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H](C[NH3+])C(C)(C)C)CC[NH2+]1 ZINC001246343726 987752584 /nfs/dbraw/zinc/75/25/84/987752584.db2.gz HMJHSPVVIXUUNQ-MXWKQRLJSA-N 2 0 213.369 1.090 20 0 BDADRP CC(C)(C)[C@H](C[NH3+])NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246349362 987757419 /nfs/dbraw/zinc/75/74/19/987757419.db2.gz YLSARRDIBRBGPZ-MBYGNEARSA-N 2 0 225.380 1.232 20 0 BDADRP CO[C@@H](C)C[NH2+]CCCC[N@H+](C)C1CC1 ZINC001474566884 987761059 /nfs/dbraw/zinc/76/10/59/987761059.db2.gz STJQZYHZUNYFPL-NSHDSACASA-N 2 0 214.353 1.485 20 0 BDADRP C[C@H](Cc1cccnc1)N[C@@H]1CCC[NH2+]C1 ZINC001246355780 987763401 /nfs/dbraw/zinc/76/34/01/987763401.db2.gz CXSJUMSKGOSSNJ-DGCLKSJQSA-N 2 0 219.332 1.354 20 0 BDADRP [NH3+]CCc1cn([C@@H]2CCC[NH2+]C2)c2cc[nH+]cc12 ZINC001246358041 987768475 /nfs/dbraw/zinc/76/84/75/987768475.db2.gz CDFXVLUUTUSIHC-GFCCVEGCSA-N 3 0 244.342 1.462 20 0 BDADRP [NH3+]CCc1cn([C@H]2CCC[NH2+]C2)c2cc[nH+]cc12 ZINC001246358042 987769300 /nfs/dbraw/zinc/76/93/00/987769300.db2.gz CDFXVLUUTUSIHC-LBPRGKRZSA-N 3 0 244.342 1.462 20 0 BDADRP CC[NH+]1CCC(C[N@H+](C)[C@@H](C)CCO)CC1 ZINC001474607427 987777245 /nfs/dbraw/zinc/77/72/45/987777245.db2.gz PLRSYMODNGYKTA-LBPRGKRZSA-N 2 0 228.380 1.421 20 0 BDADRP C[C@@H]1CC[C@H](N[C@@H]2CC[NH2+]CC2(C)C)C[NH2+]1 ZINC001246375441 987777410 /nfs/dbraw/zinc/77/74/10/987777410.db2.gz ZRPDJJOSFGOPQA-GRYCIOLGSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2(c3cnccn3)CC2)CC[NH2+]1 ZINC001246384957 987778213 /nfs/dbraw/zinc/77/82/13/987778213.db2.gz CSCCVGSRBNJDRH-NEPJUHHUSA-N 2 0 246.358 1.238 20 0 BDADRP CCC[C@@H](C)CC[C@@H](C)[NH2+]CCNCC[NH3+] ZINC001246406281 987788782 /nfs/dbraw/zinc/78/87/82/987788782.db2.gz SVDFOINELWDZNR-CHWSQXEVSA-N 2 0 229.412 1.729 20 0 BDADRP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC12C[NH2+]C2 ZINC001246442837 987796103 /nfs/dbraw/zinc/79/61/03/987796103.db2.gz FBEBONDSKPVAJP-GWCFXTLKSA-N 2 0 234.318 1.708 20 0 BDADRP Clc1cccc2c1C[C@@H]([NH2+][C@@H]1CC13C[NH2+]C3)C2 ZINC001246442577 987800032 /nfs/dbraw/zinc/80/00/32/987800032.db2.gz DEPINBXTPXQFQA-GXFFZTMASA-N 2 0 248.757 1.759 20 0 BDADRP C[C@@H](Cc1cccc(F)c1)[NH2+][C@H]1CC12C[NH2+]C2 ZINC001246445100 987802422 /nfs/dbraw/zinc/80/24/22/987802422.db2.gz MKKWOSAMNLYNLJ-GWCFXTLKSA-N 2 0 234.318 1.708 20 0 BDADRP C1[C@H]([NH2+]C2CCC3(CC[NH2+]CC3)CC2)C12C[NH2+]C2 ZINC001246446365 987805923 /nfs/dbraw/zinc/80/59/23/987805923.db2.gz RPEXNVITXAAKSD-ZDUSSCGKSA-N 2 0 249.402 1.250 20 0 BDADRP CCSC[C@H](C)[NH2+]CCCNCCC[NH3+] ZINC001246450069 987807066 /nfs/dbraw/zinc/80/70/66/987807066.db2.gz AFAQDUULHPLGJH-NSHDSACASA-N 2 0 233.425 1.046 20 0 BDADRP CC[C@]1(N[C@H]2CC[NH2+][C@@H](C(C)C)C2)CC[NH2+]C1 ZINC001246460809 987818575 /nfs/dbraw/zinc/81/85/75/987818575.db2.gz NRMNKHXPKPGIMD-MJBXVCDLSA-N 2 0 239.407 1.495 20 0 BDADRP F[C@H]1C[NH2+]CC[C@H]1C[NH2+][C@H]1CCSC1 ZINC001246475427 987831853 /nfs/dbraw/zinc/83/18/53/987831853.db2.gz FMZPMVGFCMZVRP-GUBZILKMSA-N 2 0 218.341 1.029 20 0 BDADRP C[C@@H](Cc1ccncc1)[NH2+][C@H]1CCCC[C@H]1[NH3+] ZINC001246478366 987837562 /nfs/dbraw/zinc/83/75/62/987837562.db2.gz OFTGFVJDALNMAA-YUTCNCBUSA-N 2 0 233.359 1.872 20 0 BDADRP C[NH2+][C@H]1C[C@@H](N[C@@H]2CC[NH2+][C@@H](C(C)C)C2)C1 ZINC001246494921 987850218 /nfs/dbraw/zinc/85/02/18/987850218.db2.gz IHRBZBGNZDFQJU-FVCCEPFGSA-N 2 0 225.380 1.103 20 0 BDADRP CC(C)C[C@@H](C[NH3+])N[C@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246501670 987856500 /nfs/dbraw/zinc/85/65/00/987856500.db2.gz BPEPJALSAZDJHR-IHRRRGAJSA-N 2 0 241.423 1.726 20 0 BDADRP C[C@@H]1C[C@@H](N[C@@H](C2CCC2)C2C[NH2+]C2)CC[NH2+]1 ZINC001246513322 987862052 /nfs/dbraw/zinc/86/20/52/987862052.db2.gz COMUAJFBBCBSOJ-SWHYSGLUSA-N 2 0 237.391 1.105 20 0 BDADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+]C1CCCCC1 ZINC001246510119 987862136 /nfs/dbraw/zinc/86/21/36/987862136.db2.gz CTOQPZJZALNKHR-LBPRGKRZSA-N 2 0 241.379 1.152 20 0 BDADRP CCCC[C@H]1C[C@H](N[C@@H](C)CC[NH3+])CC[NH2+]1 ZINC001246512604 987862562 /nfs/dbraw/zinc/86/25/62/987862562.db2.gz LBSKUPMYKLZLHF-RWMBFGLXSA-N 2 0 227.396 1.624 20 0 BDADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@H](C)CC1CC1 ZINC001246512991 987863052 /nfs/dbraw/zinc/86/30/52/987863052.db2.gz POHASXPYQTUZOE-PWSUYJOCSA-N 2 0 241.379 1.008 20 0 BDADRP C1CC([C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C2C[NH2+]C2)C1 ZINC001246519345 987866328 /nfs/dbraw/zinc/86/63/28/987866328.db2.gz RYSRSJLCFOBQIO-IXXDHKBRSA-N 2 0 249.402 1.247 20 0 BDADRP C[N@H+](Cc1ccccc1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246520711 987867629 /nfs/dbraw/zinc/86/76/29/987867629.db2.gz VJJSQULFLRERTH-CQSZACIVSA-N 2 0 245.370 1.212 20 0 BDADRP C[C@H]1CC[C@@H](n2ccnc2CCC[NH3+])C[NH2+]1 ZINC001246523286 987873829 /nfs/dbraw/zinc/87/38/29/987873829.db2.gz GFKKUFRSVXWZGY-WDEREUQCSA-N 2 0 222.336 1.087 20 0 BDADRP CC[C@H]1CC(N2CCC[NH2+]CC2)C[C@H](CC)[NH2+]1 ZINC001246525955 987879872 /nfs/dbraw/zinc/87/98/72/987879872.db2.gz UJJNNZLXWWIWOX-STQMWFEESA-N 2 0 239.407 1.591 20 0 BDADRP CN(CC[NH3+])[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246528055 987881849 /nfs/dbraw/zinc/88/18/49/987881849.db2.gz OAQAOLVUUNJBGN-LBPRGKRZSA-N 2 0 225.380 1.332 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N1CC[C@](C)([NH3+])C1 ZINC001246529847 987885323 /nfs/dbraw/zinc/88/53/23/987885323.db2.gz MFDVCQAABHPFQZ-STQMWFEESA-N 2 0 227.396 1.530 20 0 BDADRP CC[C@@H]1C[C@H](N2CCC[C@H]([NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246536588 987893876 /nfs/dbraw/zinc/89/38/76/987893876.db2.gz RNGJJJOHJQEQJD-IGQOVBAYSA-N 2 0 239.407 1.719 20 0 BDADRP C[C@@]1([NH3+])CCCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246537449 987898535 /nfs/dbraw/zinc/89/85/35/987898535.db2.gz CCQQTCUPTMISJY-ZGVCCVRISA-N 2 0 223.364 1.083 20 0 BDADRP [NH3+][C@H]1CCCN([C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC001246539965 987902076 /nfs/dbraw/zinc/90/20/76/987902076.db2.gz JEJPJSNORWVFOW-IGQOVBAYSA-N 2 0 237.391 1.473 20 0 BDADRP [NH3+][C@@H]1CCC[N@@H+](C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001246539733 987904246 /nfs/dbraw/zinc/90/42/46/987904246.db2.gz IPRXYKVSQMPMDU-ODWCKFRGSA-N 2 0 222.332 1.286 20 0 BDADRP CC1(C)C[C@H]([N@@H+]2CCC[C@@H]([NH3+])CC2)CO1 ZINC001246539718 987904940 /nfs/dbraw/zinc/90/49/40/987904940.db2.gz IGGGQYQFZCQIIV-MNOVXSKESA-N 2 0 212.337 1.367 20 0 BDADRP C[C@H]1CN([C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)C[C@H]1C[NH3+] ZINC001246539226 987906555 /nfs/dbraw/zinc/90/65/55/987906555.db2.gz FQNSNKLPQWAZKQ-YYHQMBLXSA-N 2 0 225.380 1.042 20 0 BDADRP [NH3+][C@H]1CCC[N@@H+]([C@@H]2CCCOCC2)CC1 ZINC001246541079 987912318 /nfs/dbraw/zinc/91/23/18/987912318.db2.gz LMYQWBAKRUCXRZ-NWDGAFQWSA-N 2 0 212.337 1.369 20 0 BDADRP CC[C@H](C)[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246545610 987920199 /nfs/dbraw/zinc/92/01/99/987920199.db2.gz BWALIAQWCDLAIY-WDEREUQCSA-N 2 0 202.317 1.938 20 0 BDADRP CCSC[C@H](C)[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246549859 987937568 /nfs/dbraw/zinc/93/75/68/987937568.db2.gz INZXIRUYDNIPRV-NWDGAFQWSA-N 2 0 246.420 1.304 20 0 BDADRP CC[C@@H]1C[C@@H](N2CCC[C@H](C[NH2+]C)C2)CC[NH2+]1 ZINC001246550368 987942035 /nfs/dbraw/zinc/94/20/35/987942035.db2.gz MWAXXMUDNZLDNG-MCIONIFRSA-N 3 0 239.407 1.448 20 0 BDADRP C[C@]1([NH3+])CCC[N@@H+]([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC001246551071 987943908 /nfs/dbraw/zinc/94/39/08/987943908.db2.gz KMAFBWZMSHKQKV-DGAVXFQQSA-N 3 0 237.391 1.188 20 0 BDADRP C[C@]1([NH3+])CCC[N@@H+]([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC001246551070 987947515 /nfs/dbraw/zinc/94/75/15/987947515.db2.gz KMAFBWZMSHKQKV-CRWXNKLISA-N 3 0 237.391 1.188 20 0 BDADRP C[C@]1([NH3+])CCC[N@@H+]([C@@H]2CCCOC2)CC1 ZINC001246553847 987957587 /nfs/dbraw/zinc/95/75/87/987957587.db2.gz SRPOZHDXVBAJTG-NEPJUHHUSA-N 2 0 212.337 1.369 20 0 BDADRP C[C@@H]1CC[C@@H](N2CCC[C@](C)([NH3+])CC2)C[NH2+]1 ZINC001246556439 987965309 /nfs/dbraw/zinc/96/53/09/987965309.db2.gz ZVWOONKMMCYDHM-UPJWGTAASA-N 2 0 225.380 1.330 20 0 BDADRP C[NH2+]CC[C@H](C)N1CCC[C@@](C)([NH3+])CC1 ZINC001246555606 987967851 /nfs/dbraw/zinc/96/78/51/987967851.db2.gz XUFFQHRGKZYQKK-NWDGAFQWSA-N 2 0 213.369 1.188 20 0 BDADRP [NH3+]C[C@@H]1CN([C@@H]2CCC[NH2+]CC2)CCC1(F)F ZINC001246556866 987970261 /nfs/dbraw/zinc/97/02/61/987970261.db2.gz GRDPHCIAOMEYAQ-GHMZBOCLSA-N 2 0 247.333 1.044 20 0 BDADRP CC[C@@H]1C[C@H](N2C[C@H](C)CC[C@H]2C[NH3+])CC[NH2+]1 ZINC001246557976 987977346 /nfs/dbraw/zinc/97/73/46/987977346.db2.gz NGJVJQSEYIHYMS-SYQHCUMBSA-N 2 0 239.407 1.576 20 0 BDADRP C[C@@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@H]1O ZINC001246557617 987977373 /nfs/dbraw/zinc/97/73/73/987977373.db2.gz NDTDZJKNAJRIFM-SYCZCVCYSA-N 2 0 238.375 1.362 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2C[C@@H](C)[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246559627 987982259 /nfs/dbraw/zinc/98/22/59/987982259.db2.gz DOSIQHCZHZCXDT-LPWJVIDDSA-N 2 0 225.380 1.042 20 0 BDADRP C[C@H]1CC([N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)C[C@H](C)C1 ZINC001246559178 987984869 /nfs/dbraw/zinc/98/48/69/987984869.db2.gz NVHXUQKIIYOEFB-FPQZTECRSA-N 2 0 226.364 1.205 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N2CCCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246560809 987992138 /nfs/dbraw/zinc/99/21/38/987992138.db2.gz UAWDZVGJYHNNQG-RDBSUJKOSA-N 2 0 239.407 1.576 20 0 BDADRP CC1(C)C[C@@H]([N@@H+]2CCC[C@@](F)(C[NH3+])CC2)CO1 ZINC001246562806 988001555 /nfs/dbraw/zinc/00/15/55/988001555.db2.gz WKQMGLKQJGZRKC-YPMHNXCESA-N 2 0 244.354 1.707 20 0 BDADRP C[C@H]1C[N@@H+](C2C[C@@H]3C=C[C@H](C2)[NH2+]3)CCC[C@@H]1C[NH3+] ZINC001246562445 988002141 /nfs/dbraw/zinc/00/21/41/988002141.db2.gz MWQYSBXKPAQZQO-DRWKLNATSA-N 3 0 249.402 1.352 20 0 BDADRP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+]CC(C)C ZINC001480565978 988006455 /nfs/dbraw/zinc/00/64/55/988006455.db2.gz QVNJUHYOWGPJMF-GFCCVEGCSA-N 2 0 243.395 1.079 20 0 BDADRP C[C@H]1[C@@H](C[NH3+])CCCN1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246563657 988009770 /nfs/dbraw/zinc/00/97/70/988009770.db2.gz LGOUDTCPOPQCIO-IZXDZPFWSA-N 2 0 237.391 1.329 20 0 BDADRP C[C@@H]1C[N@@H+]([C@H]2CCCOCC2)CCC[C@H]1C[NH3+] ZINC001246564890 988013858 /nfs/dbraw/zinc/01/38/58/988013858.db2.gz GQQAROKMJXOFHR-RDBSUJKOSA-N 2 0 240.391 1.862 20 0 BDADRP C[C@@H]1C[N@@H+]([C@@H]2CCSC2)CCC[C@H]1C[NH3+] ZINC001246563993 988015381 /nfs/dbraw/zinc/01/53/81/988015381.db2.gz DOTMTCXXTDMRRH-GRYCIOLGSA-N 2 0 228.405 1.799 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)CC[NH2+]1 ZINC001246563947 988016997 /nfs/dbraw/zinc/01/69/97/988016997.db2.gz YHIVVAFXSXOVBQ-YIYPIFLZSA-N 3 0 239.407 1.434 20 0 BDADRP CC[NH+]1CCC(N2C[C@@H](C)CC[C@H]2C[NH3+])CC1 ZINC001246564206 988017362 /nfs/dbraw/zinc/01/73/62/988017362.db2.gz DGXCZDMLOAXQOV-JSGCOSHPSA-N 2 0 239.407 1.530 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1ccncc1 ZINC001118121815 988023928 /nfs/dbraw/zinc/02/39/28/988023928.db2.gz IWJVPGHLQRXLSW-MNOVXSKESA-N 2 0 207.321 1.730 20 0 BDADRP C[C@@H]1CC[C@H](N2CCC[C@H](C[NH3+])[C@@H]2C)C[NH2+]1 ZINC001246568094 988024354 /nfs/dbraw/zinc/02/43/54/988024354.db2.gz YLCVAJGRTMEGPT-XQHKEYJVSA-N 2 0 225.380 1.186 20 0 BDADRP C[C@@H]1[C@H](C[NH3+])CCCN1[C@@H]1CCCC[NH2+]C1 ZINC001246568100 988040650 /nfs/dbraw/zinc/04/06/50/988040650.db2.gz YNYXTZOBJMDFFV-FRRDWIJNSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@H]1C[C@@H](N2CC[C@@H](C)[C@@H]([NH3+])C2)C[C@H](C)[NH2+]1 ZINC001246570864 988050735 /nfs/dbraw/zinc/05/07/35/988050735.db2.gz TWQHFNSMNQYMLF-LBELIVKGSA-N 2 0 225.380 1.185 20 0 BDADRP C[C@H]1C[N@@H+](C2CCOCC2)CCC[C@H]1C[NH3+] ZINC001246573047 988072480 /nfs/dbraw/zinc/07/24/80/988072480.db2.gz YSIPBAQRBGQHTL-RYUDHWBXSA-N 2 0 226.364 1.472 20 0 BDADRP CC[C@H]1C[C@@H](N2CCC[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC001246575958 988080308 /nfs/dbraw/zinc/08/03/08/988080308.db2.gz YDOHPQUHIBBIFZ-AVGNSLFASA-N 2 0 225.380 1.201 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2CC[NH2+][C@H](C)C2)CC[NH2+]1 ZINC001246578568 988093948 /nfs/dbraw/zinc/09/39/48/988093948.db2.gz VUIVHSXSDLLATI-UPJWGTAASA-N 2 0 225.380 1.057 20 0 BDADRP C[C@H]1C[C@H](N2CCCC[C@@](C)(C[NH3+])C2)CC[NH2+]1 ZINC001246578789 988101270 /nfs/dbraw/zinc/10/12/70/988101270.db2.gz CDRDBMXQOIDGNI-MJBXVCDLSA-N 2 0 239.407 1.578 20 0 BDADRP CCCC(CCC)[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246579826 988104601 /nfs/dbraw/zinc/10/46/01/988104601.db2.gz HEESHTSCDFQATD-CMPLNLGQSA-N 2 0 214.353 1.207 20 0 BDADRP C[C@]1(C[NH3+])CCCC[N@@H+]([C@@H]2CCCOC2)C1 ZINC001246583757 988124311 /nfs/dbraw/zinc/12/43/11/988124311.db2.gz KIGFZWJEYJOPOZ-CHWSQXEVSA-N 2 0 226.364 1.616 20 0 BDADRP C[C@]1(C[NH3+])CCCC[N@@H+]([C@H]2CCCOC2)C1 ZINC001246583760 988126765 /nfs/dbraw/zinc/12/67/65/988126765.db2.gz KIGFZWJEYJOPOZ-QWHCGFSZSA-N 2 0 226.364 1.616 20 0 BDADRP C[N@@H+]1CCC[C@H](N2CCCC[C@](C)(C[NH3+])C2)C1 ZINC001246585653 988139259 /nfs/dbraw/zinc/13/92/59/988139259.db2.gz PNNPOVRMZBZDOJ-UONOGXRCSA-N 2 0 239.407 1.532 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@](F)(CO)CC2)CC[NH2+]1 ZINC001246587706 988144124 /nfs/dbraw/zinc/14/41/24/988144124.db2.gz IMNLFICENMEXTP-FRRDWIJNSA-N 2 0 244.354 1.313 20 0 BDADRP [NH3+]C1CCC([NH2+]Cc2cccc3c[nH]nc32)CC1 ZINC001118242976 988152044 /nfs/dbraw/zinc/15/20/44/988152044.db2.gz LXAGGYPXPXOHBJ-UHFFFAOYSA-N 2 0 244.342 1.922 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CC[C@@](C)(O)[C@@H](C)C2)CC[NH2+]1 ZINC001246590335 988162517 /nfs/dbraw/zinc/16/25/17/988162517.db2.gz SKCKKNFFUBYMSJ-UMSGYPCISA-N 2 0 226.364 1.220 20 0 BDADRP C[C@H]1CC[C@@H](C[NH3+])CN1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246590044 988170011 /nfs/dbraw/zinc/17/00/11/988170011.db2.gz HWZNFPZPHMWWJA-CSHRUCKSSA-N 2 0 237.391 1.329 20 0 BDADRP CC1(C)C[N@H+]([C@@H]2CCC[NH2+]C2)[C@](C)(CO)C1 ZINC001246591677 988175153 /nfs/dbraw/zinc/17/51/53/988175153.db2.gz WWDLVOAPPWQKKN-YPMHNXCESA-N 2 0 226.364 1.221 20 0 BDADRP CC1(C)C[C@@H](N2CCC[C@@]23CCC[NH2+]C3)CO1 ZINC001246607615 988231257 /nfs/dbraw/zinc/23/12/57/988231257.db2.gz GTYDLKRBCWDGST-TZMCWYRMSA-N 2 0 238.375 1.772 20 0 BDADRP C1C[NH2+]C[C@@H](N2CCC[C@]3(CCC[NH2+]C3)C2)C1 ZINC001246610243 988239207 /nfs/dbraw/zinc/23/92/07/988239207.db2.gz OURNUZWUEOTSDA-KBPBESRZSA-N 2 0 237.391 1.204 20 0 BDADRP C1C[C@@]2(CCCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)[NH2+]1 ZINC001246610665 988241353 /nfs/dbraw/zinc/24/13/53/988241353.db2.gz NJPWDTUMIXUFCP-QNMSZWNNSA-N 2 0 235.375 1.097 20 0 BDADRP C1CC2(CCCCC2)[N@@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246610512 988244441 /nfs/dbraw/zinc/24/44/41/988244441.db2.gz BGFPZKFBBDSNEB-CYBMUJFWSA-N 2 0 249.402 1.489 20 0 BDADRP C1CC[C@@]2(CCCN([C@H]3CCC[NH2+]C3)C2)[NH2+]C1 ZINC001246617117 988247924 /nfs/dbraw/zinc/24/79/24/988247924.db2.gz YBAOPLPJEOMNQT-KBPBESRZSA-N 2 0 237.391 1.347 20 0 BDADRP C[C@@H]1C[C@@H](N2CCC3(CCC[NH2+]3)CC2)CC[NH2+]1 ZINC001246621170 988266340 /nfs/dbraw/zinc/26/63/40/988266340.db2.gz FAJHCBUXCMHOEG-OLZOCXBDSA-N 2 0 237.391 1.345 20 0 BDADRP C[C@@H]1C[C@H](N2CC[C@@]3(C2)CCCC[NH2+]3)CC[NH2+]1 ZINC001246622165 988273182 /nfs/dbraw/zinc/27/31/82/988273182.db2.gz NFCDYEOXYSLJEE-MGPQQGTHSA-N 2 0 237.391 1.345 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH+]2CCC(F)(C[NH3+])CC2)C1 ZINC001246622198 988274378 /nfs/dbraw/zinc/27/43/78/988274378.db2.gz YBILQQJFCXISON-NEPJUHHUSA-N 2 0 244.354 1.707 20 0 BDADRP C[C@@H]1C[C@@H](N2CCC[C@]3(CCC[NH2+]3)C2)CC[NH2+]1 ZINC001246627883 988300008 /nfs/dbraw/zinc/30/00/08/988300008.db2.gz ZXOLNVVFTVOBNQ-HZSPNIEDSA-N 2 0 237.391 1.345 20 0 BDADRP CC[C@H]1C[C@@H]([N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CCO1 ZINC001246629713 988301791 /nfs/dbraw/zinc/30/17/91/988301791.db2.gz FZABYFZXUGTVPB-ZDEQEGDKSA-N 2 0 224.348 1.380 20 0 BDADRP C[C@@H]1CC[C@@H]([N@H+]2C[C@H]3[C@H](CC3(F)F)C2)C[NH2+]1 ZINC001246630152 988303874 /nfs/dbraw/zinc/30/38/74/988303874.db2.gz HICXIBDCTQHPCA-DBIOUOCHSA-N 2 0 230.302 1.714 20 0 BDADRP C[NH2+]CC[C@@H](C)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246633485 988315821 /nfs/dbraw/zinc/31/58/21/988315821.db2.gz YKNCAIOKINEVKG-OLZOCXBDSA-N 3 0 225.380 1.060 20 0 BDADRP C1C[C@H]2CC([N@@H+]3CCC4(C3)CC[NH2+]CC4)C[C@@H]1[NH2+]2 ZINC001246639560 988334614 /nfs/dbraw/zinc/33/46/14/988334614.db2.gz PGMNGCCCLICQEZ-PBWFPOADSA-N 3 0 249.402 1.345 20 0 BDADRP C1CC1[NH+]1CCC(N2CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001246639830 988336459 /nfs/dbraw/zinc/33/64/59/988336459.db2.gz RJXBLRYZWMJLAA-ZIAGYGMSSA-N 2 0 235.375 1.049 20 0 BDADRP CC(C)CC[C@H](C)[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246642958 988351506 /nfs/dbraw/zinc/35/15/06/988351506.db2.gz NQUBCXVLGLEJDH-KBPBESRZSA-N 2 0 239.407 1.448 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2CCCC23C[NH2+]C3)CC[NH2+]1 ZINC001246642727 988352120 /nfs/dbraw/zinc/35/21/20/988352120.db2.gz OEAJZBUSBIPPKP-OLZOCXBDSA-N 2 0 237.391 1.201 20 0 BDADRP C1CC2(C1)C[C@H](N1CCCCC13C[NH2+]C3)CC[NH2+]2 ZINC001246644704 988353765 /nfs/dbraw/zinc/35/37/65/988353765.db2.gz YAPPRTBAAKRJHH-CYBMUJFWSA-N 2 0 249.402 1.489 20 0 BDADRP CCCC[C@@H](C)[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246645073 988356224 /nfs/dbraw/zinc/35/62/24/988356224.db2.gz SUDBVWPDLYQOBX-CHWSQXEVSA-N 2 0 225.380 1.202 20 0 BDADRP C1[NH2+]CC12CCC(N1CCCCC13C[NH2+]C3)CC2 ZINC001246643060 988358446 /nfs/dbraw/zinc/35/84/46/988358446.db2.gz PWPHLVAWWUKKBS-UHFFFAOYSA-N 2 0 249.402 1.347 20 0 BDADRP C1[NH2+]CC12CC[C@@H]([N@@H+]1CCCC[C@]13CC[NH2+]C3)C2 ZINC001246646566 988364287 /nfs/dbraw/zinc/36/42/87/988364287.db2.gz GBPIRACEPMWVEB-UKRRQHHQSA-N 3 0 249.402 1.347 20 0 BDADRP C1CN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@]2(C1)CC[NH2+]C2 ZINC001246646516 988364514 /nfs/dbraw/zinc/36/45/14/988364514.db2.gz FRBIBSVIYVTRAY-QNMSZWNNSA-N 2 0 235.375 1.097 20 0 BDADRP C1C[C@H]2C[N@@H+](C3CCC4(CC[NH2+]C4)CC3)C[C@H]2[NH2+]1 ZINC001246650487 988379496 /nfs/dbraw/zinc/37/94/96/988379496.db2.gz IQOSBIVPVKHUTA-FGZQJIAISA-N 3 0 249.402 1.202 20 0 BDADRP C[C@H]1C[C@@H]([N@@H+]2CC[C@@H]3CCO[C@H]3C2)CC[NH2+]1 ZINC001246667842 988410967 /nfs/dbraw/zinc/41/09/67/988410967.db2.gz VXSNNRSPFFIRAA-RNJOBUHISA-N 2 0 224.348 1.238 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC001246676128 988422595 /nfs/dbraw/zinc/42/25/95/988422595.db2.gz YUGGTXHSZFIQGM-CRWXNKLISA-N 2 0 237.391 1.199 20 0 BDADRP C[C@H]1CC[C@@H](N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)C[NH2+]1 ZINC001246700467 988446850 /nfs/dbraw/zinc/44/68/50/988446850.db2.gz JBRFXEKOPLWZMZ-RFQIPJPRSA-N 2 0 237.391 1.010 20 0 BDADRP CC(C)[C@@H]1C[NH2+]CCN1[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246697962 988447596 /nfs/dbraw/zinc/44/75/96/988447596.db2.gz UAHWPXINESZLJZ-AVGNSLFASA-N 2 0 225.380 1.057 20 0 BDADRP CCN(CC[NH+](CC)CC)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246792382 988467427 /nfs/dbraw/zinc/46/74/27/988467427.db2.gz VIQGIWCGZFHAPE-KGLIPLIRSA-N 2 0 241.423 1.791 20 0 BDADRP CCN(CC[NH+](CC)CC)[C@H]1CCCC[NH2+]C1 ZINC001246788741 988469498 /nfs/dbraw/zinc/46/94/98/988469498.db2.gz IKPKEHOVEKNUHR-AWEZNQCLSA-N 2 0 241.423 1.792 20 0 BDADRP CC[C@H]1CNCC[N@@H+]1C1CCC([NH2+]C)CC1 ZINC001246796438 988476080 /nfs/dbraw/zinc/47/60/80/988476080.db2.gz BBPVWWCLVZWWTC-CPCZMJQVSA-N 2 0 225.380 1.201 20 0 BDADRP CC[C@@H]1C[NH2+]CCN1[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246801599 988480719 /nfs/dbraw/zinc/48/07/19/988480719.db2.gz GHPXSDHCHIAPFV-NEPJUHHUSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H]1C[C@@H](N2CC[NH2+]CC2(C)C)C[C@H](C)[NH2+]1 ZINC001246811462 988488164 /nfs/dbraw/zinc/48/81/64/988488164.db2.gz VQHOKLCMLLOICZ-ZSBIGDGJSA-N 2 0 225.380 1.199 20 0 BDADRP CC[C@H]1C[C@H](N2CC[NH2+]CC2(C)C)CC[NH2+]1 ZINC001246810559 988489756 /nfs/dbraw/zinc/48/97/56/988489756.db2.gz NWTYFNMUMWNNFB-NWDGAFQWSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H]1CC[C@H](N2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)C[NH2+]1 ZINC001246810480 988491089 /nfs/dbraw/zinc/49/10/89/988491089.db2.gz WZCYFCKQILXWKC-LBELIVKGSA-N 2 0 223.364 1.081 20 0 BDADRP CCOC(=O)[C@@H]1CC[N@@H+]([C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246814997 988495828 /nfs/dbraw/zinc/49/58/28/988495828.db2.gz BIRZVLPKYKSCNS-TUAOUCFPSA-N 2 0 240.347 1.012 20 0 BDADRP CCC[C@H](C)CC[C@@H](C)N(CC[NH3+])CC[NH3+] ZINC001246828305 988515953 /nfs/dbraw/zinc/51/59/53/988515953.db2.gz BAVXNUUCCFORFB-QWHCGFSZSA-N 2 0 229.412 1.811 20 0 BDADRP CCCC[C@H]1C[C@H](N(C)[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC001246833223 988526634 /nfs/dbraw/zinc/52/66/34/988526634.db2.gz NYBPJJFTCGWWHE-BFHYXJOUSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H]1C[C@@H](N(C)C[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246839672 988541144 /nfs/dbraw/zinc/54/11/44/988541144.db2.gz DLSZHVLOPINKHJ-UPJWGTAASA-N 2 0 225.380 1.058 20 0 BDADRP C[N@H+](CC1CCCC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246844169 988553988 /nfs/dbraw/zinc/55/39/88/988553988.db2.gz XULJNUIXRAUDJY-ZDUSSCGKSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@@H]1C[C@@H](n2ccnc2[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246848806 988561524 /nfs/dbraw/zinc/56/15/24/988561524.db2.gz OIBIPSWUKALYNB-AGIUHOORSA-N 2 0 248.374 1.663 20 0 BDADRP CCN([C@H]1CC[NH2+]C1)[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246850160 988561599 /nfs/dbraw/zinc/56/15/99/988561599.db2.gz JBLWAKLIUCRHGF-RYUDHWBXSA-N 2 0 225.380 1.201 20 0 BDADRP CCN([C@H]1CC[NH2+]C1)[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246850156 988563626 /nfs/dbraw/zinc/56/36/26/988563626.db2.gz JBLWAKLIUCRHGF-NEPJUHHUSA-N 2 0 225.380 1.201 20 0 BDADRP [NH3+][C@@]12CC[C@@H]1CN(C1CC[NH+](CC3CC3)CC1)C2 ZINC001246854533 988571033 /nfs/dbraw/zinc/57/10/33/988571033.db2.gz PZPCPYRAANKMTP-UKRRQHHQSA-N 3 0 249.402 1.284 20 0 BDADRP CCN([C@@H]1CCC[NH2+]C1)[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246852822 988571126 /nfs/dbraw/zinc/57/11/26/988571126.db2.gz GVIQYRRUFPGQFA-XQQFMLRXSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H]1CO[C@@H]2C[N@@H+]([C@H]3CC[C@H](C)[NH2+]C3)C[C@H]12 ZINC001246854997 988579728 /nfs/dbraw/zinc/57/97/28/988579728.db2.gz RTVZPGGHZKPWJG-KSSYENDESA-N 2 0 224.348 1.094 20 0 BDADRP CCN([C@@H]1CC[NH2+]C(C)(C)C1)[C@H]1CCC[NH2+]C1 ZINC001246854650 988581420 /nfs/dbraw/zinc/58/14/20/988581420.db2.gz QFBOJGFMMCXENY-OLZOCXBDSA-N 2 0 239.407 1.591 20 0 BDADRP CCC[NH+]1CCC(N2C[C@H]3CC[C@]3([NH3+])C2)CC1 ZINC001246856956 988582389 /nfs/dbraw/zinc/58/23/89/988582389.db2.gz XSQYYOUNPZDYMF-OCCSQVGLSA-N 2 0 237.391 1.284 20 0 BDADRP CCOC1CCC([N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001246860587 988599889 /nfs/dbraw/zinc/59/98/89/988599889.db2.gz NHAGWQIEPHKEEN-BLYZHGLHSA-N 2 0 238.375 1.757 20 0 BDADRP Cc1nc2c(n1[C@@H]1CC[NH2+][C@H](C)C1)C[NH2+]CC2 ZINC001246860362 988600312 /nfs/dbraw/zinc/60/03/12/988600312.db2.gz HSMAHKHNQCCAQS-MWLCHTKSSA-N 2 0 234.347 1.150 20 0 BDADRP CCC(CC)[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246861935 988603446 /nfs/dbraw/zinc/60/34/46/988603446.db2.gz ROBHBGCPXSGLEF-DHHPTOIESA-N 2 0 212.337 1.081 20 0 BDADRP CC1(C)CC[C@H]([N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])C1 ZINC001246861980 988604438 /nfs/dbraw/zinc/60/44/38/988604438.db2.gz SUPBWNBYOOSWNS-FXJUQPSGSA-N 2 0 238.375 1.471 20 0 BDADRP CC1(C)C[C@H]([N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)CCO1 ZINC001246865179 988606325 /nfs/dbraw/zinc/60/63/25/988606325.db2.gz YIEQNGPUFPSKIR-NQBHXWOUSA-N 2 0 224.348 1.367 20 0 BDADRP C[C@H]1CC[C@@H](N2CC[C@H]3COC[C@@H]3C2)C[NH2+]1 ZINC001246863546 988611430 /nfs/dbraw/zinc/61/14/30/988611430.db2.gz YKOAAXXRYVQURV-ZDEQEGDKSA-N 2 0 224.348 1.095 20 0 BDADRP CC(C)[C@H]1C[C@H](N2C[C@H](C)[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC001246868872 988625872 /nfs/dbraw/zinc/62/58/72/988625872.db2.gz CDESFGKOMOVWOY-IGQOVBAYSA-N 2 0 239.407 1.445 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)CC[NH2+]1 ZINC001246874893 988643809 /nfs/dbraw/zinc/64/38/09/988643809.db2.gz WNZARWZSHAGUDY-ROHXPCBUSA-N 2 0 212.312 1.274 20 0 BDADRP C[C@@H]1C[C@@H](N2CCC3(C[NH+](C)C3)CC2)CC[NH2+]1 ZINC001246875887 988644298 /nfs/dbraw/zinc/64/42/98/988644298.db2.gz PVBDBUPGPPMIIP-OLZOCXBDSA-N 2 0 237.391 1.155 20 0 BDADRP COC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246875354 988645077 /nfs/dbraw/zinc/64/50/77/988645077.db2.gz KLUZLRDMMBAJES-VJBQPNPTSA-N 2 0 238.375 1.769 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)CC[NH2+]1 ZINC001246874892 988646577 /nfs/dbraw/zinc/64/65/77/988646577.db2.gz WNZARWZSHAGUDY-OOCWMUITSA-N 2 0 212.312 1.274 20 0 BDADRP C[C@@H]1C[C@@H](N2[C@H](C)C[NH2+]C[C@H]2C)C[C@H](C)[NH2+]1 ZINC001246883876 988648264 /nfs/dbraw/zinc/64/82/64/988648264.db2.gz PPIIMWMWUFVJCK-NZEXEKPDSA-N 2 0 225.380 1.198 20 0 BDADRP C1C[C@H]2CC(N3C[C@H]4CCC[C@@H](C3)[NH2+]4)C[C@@H]1[NH2+]2 ZINC001246883106 988649762 /nfs/dbraw/zinc/64/97/62/988649762.db2.gz VCEDQBPTTLBUMR-VEDUHTKKSA-N 2 0 235.375 1.096 20 0 BDADRP CCCC[C@@H]1C[C@@H](N2C[C@@H](C)[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246883557 988650867 /nfs/dbraw/zinc/65/08/67/988650867.db2.gz WNRPMTJBVQIVCK-MQYQWHSLSA-N 2 0 239.407 1.576 20 0 BDADRP Fc1ccc([C@H]2C[NH2+]CCN2[C@@H]2CC[NH2+]C2)cc1 ZINC001246886447 988656068 /nfs/dbraw/zinc/65/60/68/988656068.db2.gz LCFFFLICZBKVDZ-ZIAGYGMSSA-N 2 0 249.333 1.134 20 0 BDADRP CC(C)[C@H]1CCC[N@@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246887307 988656520 /nfs/dbraw/zinc/65/65/20/988656520.db2.gz LJVJYMMMKJAFPV-CHWSQXEVSA-N 2 0 237.391 1.201 20 0 BDADRP CCN(CC[NH2+]C)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246890294 988658071 /nfs/dbraw/zinc/65/80/71/988658071.db2.gz IPJIFPVEBSSUMG-ZDUSSCGKSA-N 2 0 239.407 1.450 20 0 BDADRP CC[C@@H]1C[C@H](N(CC)CC[NH2+]C)CC[NH2+]1 ZINC001246889560 988659419 /nfs/dbraw/zinc/65/94/19/988659419.db2.gz FJJBNPKNRUCOEJ-VXGBXAGGSA-N 2 0 213.369 1.058 20 0 BDADRP CCCC[C@@H]1CN([C@@H](C)CC[NH2+]C)CC[NH2+]1 ZINC001246890648 988661776 /nfs/dbraw/zinc/66/17/76/988661776.db2.gz KMOAYYRLBJWVEY-QWHCGFSZSA-N 2 0 227.396 1.448 20 0 BDADRP CCCN([C@H]1C[NH2+][C@@H](C)C1)C1CC[NH2+]CC1 ZINC001246893983 988663167 /nfs/dbraw/zinc/66/31/67/988663167.db2.gz MHHHIHVATDPFBH-WCQYABFASA-N 2 0 225.380 1.201 20 0 BDADRP CCN(CC[NH2+]C)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246893955 988663394 /nfs/dbraw/zinc/66/33/94/988663394.db2.gz YILGDTGCVBUSRB-OLZOCXBDSA-N 2 0 241.423 1.694 20 0 BDADRP C1[C@@H]2CCCC[C@H]2C[NH+]1[C@@H]1CCC[NH2+]C1 ZINC001246898707 988669525 /nfs/dbraw/zinc/66/95/25/988669525.db2.gz ZSGQHCGQDSDDEH-RWMBFGLXSA-N 2 0 208.349 1.860 20 0 BDADRP C[C@@H]1C[C@H](N2CC[C@H]([N@H+](C)C3CC3)C2)CC[NH2+]1 ZINC001246910124 988691773 /nfs/dbraw/zinc/69/17/73/988691773.db2.gz KNDPNGYDPIATKX-BNOWGMLFSA-N 2 0 237.391 1.295 20 0 BDADRP C[N@H+](CCO)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246910710 988691829 /nfs/dbraw/zinc/69/18/29/988691829.db2.gz CPIFDXHOOUWNAW-WDEREUQCSA-N 2 0 214.353 1.077 20 0 BDADRP COC(=O)CC[N@H+](C1CC1)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246910641 988692441 /nfs/dbraw/zinc/69/24/41/988692441.db2.gz BDWNJXGEGIVEBS-JQWIXIFHSA-N 2 0 240.347 1.154 20 0 BDADRP C[C@H]1C[C@H](N(C)C2(C)CC[NH2+]CC2)CC[NH2+]1 ZINC001246914029 988696035 /nfs/dbraw/zinc/69/60/35/988696035.db2.gz YDHWIIBBZNUJMB-NWDGAFQWSA-N 2 0 225.380 1.201 20 0 BDADRP CCCC[C@@H]1CN([C@H]2C[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC001246912179 988697257 /nfs/dbraw/zinc/69/72/57/988697257.db2.gz BYDXZZFHYABUFO-YNEHKIRRSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H]1CC[C@@H](N(C2CC2)[C@@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001246913821 988702628 /nfs/dbraw/zinc/70/26/28/988702628.db2.gz HBVSEYXVYSSVPQ-MRVWCRGKSA-N 2 0 237.391 1.343 20 0 BDADRP NC[C@H]1CCC[N@@H+]1[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246917612 988718193 /nfs/dbraw/zinc/71/81/93/988718193.db2.gz RQOGZSDQEAITFE-MGPQQGTHSA-N 2 0 237.391 1.332 20 0 BDADRP C[NH2+]CC[C@@H](C)N(C)[C@@]1(C)CCC[NH2+]C1 ZINC001246916835 988721915 /nfs/dbraw/zinc/72/19/15/988721915.db2.gz YAWOQFOJTBGVIJ-NEPJUHHUSA-N 2 0 213.369 1.058 20 0 BDADRP c1cn([C@@H]2CCC[NH2+]C2)c2c1C[NH2+]CC2 ZINC001246926110 988750303 /nfs/dbraw/zinc/75/03/03/988750303.db2.gz RFGVSFASRMQKND-LLVKDONJSA-N 2 0 205.305 1.058 20 0 BDADRP CO[C@H](C)C1C[NH+]([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246924276 988754892 /nfs/dbraw/zinc/75/48/92/988754892.db2.gz QZQXNHKXJQVIBX-CKYFFXLPSA-N 2 0 212.337 1.094 20 0 BDADRP CCC[C@@H]1C[NH2+]CCN1[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246932533 988761554 /nfs/dbraw/zinc/76/15/54/988761554.db2.gz RGKOILYACVJVLE-RQJABVFESA-N 2 0 237.391 1.343 20 0 BDADRP CCC[C@@H]1C[NH2+]CCN1C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246938130 988767818 /nfs/dbraw/zinc/76/78/18/988767818.db2.gz WDSSPPQPLFGKGV-RWMBFGLXSA-N 2 0 239.407 1.589 20 0 BDADRP CCN(C[C@@H]1CC[NH2+]C1)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246935269 988768174 /nfs/dbraw/zinc/76/81/74/988768174.db2.gz GDPKEBFUABYOBT-XQQFMLRXSA-N 2 0 225.380 1.058 20 0 BDADRP C[NH2+]C[C@H]1CCCN1[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246939942 988770365 /nfs/dbraw/zinc/77/03/65/988770365.db2.gz UHTYXPSESKBMDP-NWDGAFQWSA-N 2 0 225.380 1.201 20 0 BDADRP CC[C@@H]1C[C@@H](N2C[C@H](C)[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC001246943628 988774272 /nfs/dbraw/zinc/77/42/72/988774272.db2.gz MXBUCWZZUNDURY-RVMXOQNASA-N 2 0 225.380 1.199 20 0 BDADRP CCCN([C@@H]1CC[NH2+]C1)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246944260 988780679 /nfs/dbraw/zinc/78/06/79/988780679.db2.gz WIKHQRKDLZNMEV-YNEHKIRRSA-N 2 0 225.380 1.201 20 0 BDADRP CCCN([C@@H]1CC[NH2+]C1)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246944258 988780804 /nfs/dbraw/zinc/78/08/04/988780804.db2.gz WIKHQRKDLZNMEV-JHJVBQTASA-N 2 0 225.380 1.201 20 0 BDADRP C[NH2+]CCN([C@H]1CCC[NH2+]C1)C(C)(C)C ZINC001246948121 988785739 /nfs/dbraw/zinc/78/57/39/988785739.db2.gz ICNNJDPYOFPWFJ-NSHDSACASA-N 2 0 213.369 1.058 20 0 BDADRP CC(C)N([C@H]1CC[NH2+]C1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246959478 988786793 /nfs/dbraw/zinc/78/67/93/988786793.db2.gz IUHFRJMJIVMMIZ-UPJWGTAASA-N 2 0 225.380 1.199 20 0 BDADRP C[NH2+]CC[C@@H](C)N(C(C)C)[C@@H]1CCC[NH2+]C1 ZINC001246952611 988789988 /nfs/dbraw/zinc/78/99/88/988789988.db2.gz AQCZQKOVRFJTEE-CHWSQXEVSA-N 2 0 227.396 1.447 20 0 BDADRP C[NH2+]C1CCC([NH+]2C[C@@H](C)N[C@H](C)C2)CC1 ZINC001246968645 988798821 /nfs/dbraw/zinc/79/88/21/988798821.db2.gz MUBYZESXPPOLPH-OKZRHMCRSA-N 2 0 225.380 1.199 20 0 BDADRP CCCN(C[C@@H]1CC[NH2+]C1)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246976489 988803437 /nfs/dbraw/zinc/80/34/37/988803437.db2.gz QRQPDRYSKBWELD-BFHYXJOUSA-N 2 0 239.407 1.448 20 0 BDADRP CC[C@H](N)C[N@H+](C)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246974900 988807138 /nfs/dbraw/zinc/80/71/38/988807138.db2.gz SOIMOMXZDUTLMU-STQMWFEESA-N 2 0 239.407 1.578 20 0 BDADRP CC(C)[C@H]1C[C@H](N(C)C[C@H](C)[NH3+])CC[NH2+]1 ZINC001246979493 988811079 /nfs/dbraw/zinc/81/10/79/988811079.db2.gz BJUYQYBWRHRUMR-QJPTWQEYSA-N 2 0 213.369 1.042 20 0 BDADRP CCCN(C[C@@H]1CC[NH2+]C1)[C@H]1C[NH2+][C@@H](C)C1 ZINC001246977138 988812720 /nfs/dbraw/zinc/81/27/20/988812720.db2.gz RVOKIGOEBBVCAL-YNEHKIRRSA-N 2 0 225.380 1.058 20 0 BDADRP C1CN(C2CCC3(CCC[NH2+]C3)CC2)C[NH2+]1 ZINC001246996987 988827437 /nfs/dbraw/zinc/82/74/37/988827437.db2.gz SYHXTFYWMXRKED-UHFFFAOYSA-N 2 0 223.364 1.162 20 0 BDADRP CC[C@@H]1C[C@@H](N2C[C@@H]([NH3+])C[C@H]2C)C[C@H](CC)[NH2+]1 ZINC001246997498 988832906 /nfs/dbraw/zinc/83/29/06/988832906.db2.gz NEGCNWOSJZJUEI-XHJNMGKDSA-N 2 0 239.407 1.717 20 0 BDADRP C[C@H]1C[C@H](N2CC[C@H]3[NH2+]CCC[C@@H]3C2)CCO1 ZINC001247017136 988844741 /nfs/dbraw/zinc/84/47/41/988844741.db2.gz ZVSNLINUDRTWSX-REWJHTLYSA-N 2 0 238.375 1.628 20 0 BDADRP CC(C)C[C@@H]([NH3+])CC(=O)Nc1ccccc1C[NH3+] ZINC001514696371 988926271 /nfs/dbraw/zinc/92/62/71/988926271.db2.gz OXAIAEKXWGAUJQ-GFCCVEGCSA-N 2 0 249.358 1.847 20 0 BDADRP CC[NH+](CC)CC(=O)N1CCC([NH3+])(CC)CC1 ZINC001119375264 989012983 /nfs/dbraw/zinc/01/29/83/989012983.db2.gz OVRXPKVTJKWCGZ-UHFFFAOYSA-N 2 0 241.379 1.058 20 0 BDADRP COc1cc(C[NH2+]C[C@@H](C)C[NH3+])ccc1F ZINC001325273730 989136602 /nfs/dbraw/zinc/13/66/02/989136602.db2.gz SUJUFAKBALJTDA-VIFPVBQESA-N 2 0 226.295 1.519 20 0 BDADRP CC[N@@H+]1CCC[C@H](CN[C@H]2CCC[C@@H]2[NH3+])C1 ZINC001325718159 989238475 /nfs/dbraw/zinc/23/84/75/989238475.db2.gz QQENGEMTFHJQIE-AGIUHOORSA-N 2 0 225.380 1.188 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC001119630775 989266562 /nfs/dbraw/zinc/26/65/62/989266562.db2.gz JTRDNZPWRMNENS-HIFRSBDPSA-N 3 0 249.402 1.912 20 0 BDADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]CC[C@H](C)[NH2+]C ZINC001326036308 989335853 /nfs/dbraw/zinc/33/58/53/989335853.db2.gz PAJJKMRZHQVQBM-NWDGAFQWSA-N 2 0 243.395 1.221 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CC[C@](O)(C3CC3)C2)CC1 ZINC001120052593 989581699 /nfs/dbraw/zinc/58/16/99/989581699.db2.gz YECFHWYTFSRZOL-CQSZACIVSA-N 2 0 238.375 1.175 20 0 BDADRP CC(C)[NH2+]CC(=O)N(C)CC(C)(C)C[NH+](C)C ZINC001523565564 989934484 /nfs/dbraw/zinc/93/44/84/989934484.db2.gz FLFSPBUVGLVGIK-UHFFFAOYSA-N 2 0 243.395 1.031 20 0 BDADRP CC[C@@H](C)C[C@@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC001122073245 990221129 /nfs/dbraw/zinc/22/11/29/990221129.db2.gz DWHUFAHTVSWYPE-DDHJBXDOSA-N 2 0 241.379 1.007 20 0 BDADRP CC(C)(C)[C@H]([NH3+])CC(=O)NCCCCCC[NH3+] ZINC001122085726 990229695 /nfs/dbraw/zinc/22/96/95/990229695.db2.gz JLZCVBGTCFJOIM-LLVKDONJSA-N 2 0 243.395 1.385 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)NCC[C@H](C)[NH+](C)C ZINC001122138442 990255692 /nfs/dbraw/zinc/25/56/92/990255692.db2.gz LASHNCNDHHWIJE-RYUDHWBXSA-N 2 0 243.395 1.206 20 0 BDADRP CCC[NH2+][C@@H](C)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001122302860 990330860 /nfs/dbraw/zinc/33/08/60/990330860.db2.gz BVRJPANCYAUOGB-NWDGAFQWSA-N 2 0 241.379 1.023 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001122302863 990331247 /nfs/dbraw/zinc/33/12/47/990331247.db2.gz BVRJPANCYAUOGB-VXGBXAGGSA-N 2 0 241.379 1.023 20 0 BDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)Nc1ccccc1C[NH3+] ZINC001122433967 990384824 /nfs/dbraw/zinc/38/48/24/990384824.db2.gz XVLTUXBITLKSKH-PWSUYJOCSA-N 2 0 247.342 1.457 20 0 BDADRP C[C@H]1CC([NH2+]CCN(C)CC[NH3+])C[C@H](C)C1 ZINC001258156969 991042089 /nfs/dbraw/zinc/04/20/89/991042089.db2.gz WMFSBFFWHRQMOR-VXGBXAGGSA-N 2 0 227.396 1.291 20 0 BDADRP COC(=O)CC[C@H](C)[N@H+](CCC[NH3+])C(C)C ZINC001258348214 991255602 /nfs/dbraw/zinc/25/56/02/991255602.db2.gz JUWRSLUAKDEBKP-NSHDSACASA-N 2 0 230.352 1.387 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+][C@H](C)COC(C)=O ZINC001308987711 991257054 /nfs/dbraw/zinc/25/70/54/991257054.db2.gz MDUAPUDSKDZFCF-NWDGAFQWSA-N 2 0 244.379 1.648 20 0 BDADRP C[C@H]1[C@@H](O)CCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC001560135644 991389444 /nfs/dbraw/zinc/38/94/44/991389444.db2.gz XABXSVSPFBUMQA-XQQFMLRXSA-N 2 0 226.364 1.316 20 0 BDADRP C[C@H](CC1CC1)[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001258469385 991434954 /nfs/dbraw/zinc/43/49/54/991434954.db2.gz BCVYQASNGIYBNC-GFCCVEGCSA-N 2 0 237.391 1.107 20 0 BDADRP CCOC(=O)CC[C@@H](C)[NH2+]C(C)(C)C(C)(C)[NH3+] ZINC001258483435 991455081 /nfs/dbraw/zinc/45/50/81/991455081.db2.gz HNMBILNIUUOFHM-SNVBAGLBSA-N 2 0 244.379 1.824 20 0 BDADRP C[NH+]1CCC2(CN(Cc3ccnnc3)C2)CC1 ZINC001139985128 991464127 /nfs/dbraw/zinc/46/41/27/991464127.db2.gz LVJAEGAQTISMLZ-UHFFFAOYSA-N 2 0 232.331 1.004 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]C3CCSCC3)[C@@H]2C1 ZINC001560623515 991526462 /nfs/dbraw/zinc/52/64/62/991526462.db2.gz ZPRGEOYSTALLFM-UHTWSYAYSA-N 2 0 240.416 1.812 20 0 BDADRP C[C@@H](Cc1cccnc1)[NH2+]CCSCC[NH3+] ZINC001258615216 991541481 /nfs/dbraw/zinc/54/14/81/991541481.db2.gz FNQIMJCFIGHKGC-NSHDSACASA-N 2 0 239.388 1.294 20 0 BDADRP CC[NH+]1CCC([NH2+]CCc2cnc(C)cn2)CC1 ZINC001560873649 991631704 /nfs/dbraw/zinc/63/17/04/991631704.db2.gz WHWCHUDPOHHLBL-UHFFFAOYSA-N 2 0 248.374 1.401 20 0 BDADRP CCC[NH2+][C@@H](CC)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001318541992 991676277 /nfs/dbraw/zinc/67/62/77/991676277.db2.gz QJCVYHCPJHYAQH-NWDGAFQWSA-N 2 0 243.395 1.221 20 0 BDADRP COC(=O)C1CC([NH2+]C[C@H]2CCCCN2C)C1 ZINC001561036108 991698764 /nfs/dbraw/zinc/69/87/64/991698764.db2.gz RMZUJHMVWDQJHA-HTAVTVPLSA-N 2 0 240.347 1.012 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@H]2C[C@@](C)(O)C2)CC1 ZINC001258765865 991728113 /nfs/dbraw/zinc/72/81/13/991728113.db2.gz FGZBUNNSBZUILM-XBXGTLAGSA-N 2 0 240.391 1.611 20 0 BDADRP CCC[NH+]1CCC([NH+]2CC(C3COC3)C2)CC1 ZINC001258771846 991737197 /nfs/dbraw/zinc/73/71/97/991737197.db2.gz YBXKJFZYEYKJHO-UHFFFAOYSA-N 2 0 238.375 1.439 20 0 BDADRP CCC[NH+]1CCC([N@@H+]2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001258772302 991742425 /nfs/dbraw/zinc/74/24/25/991742425.db2.gz MQXQNNNSHHNEER-OCCSQVGLSA-N 2 0 240.391 1.564 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C[C@H]1C[C@@H](O)C1 ZINC001258899895 991892822 /nfs/dbraw/zinc/89/28/22/991892822.db2.gz VTHZLTJLMNXWSA-MCIONIFRSA-N 2 0 242.407 1.857 20 0 BDADRP CC[C@H](C(=O)NC[C@@H](C)C[NH2+]C(C)C)[NH+](C)C ZINC001568180127 992144431 /nfs/dbraw/zinc/14/44/31/992144431.db2.gz LKZKVRZFDSBBHQ-NWDGAFQWSA-N 2 0 243.395 1.077 20 0 BDADRP CC[NH2+][C@@H](CNC(=O)CCC[NH+](C)C)C(C)C ZINC001568461362 992171331 /nfs/dbraw/zinc/17/13/31/992171331.db2.gz UIBRVDULEVAVEX-LBPRGKRZSA-N 2 0 243.395 1.079 20 0 BDADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH+](C)C(C)C ZINC001569145609 992329825 /nfs/dbraw/zinc/32/98/25/992329825.db2.gz MOCSQWZVZKMUEL-GFCCVEGCSA-N 2 0 243.395 1.173 20 0 BDADRP CC[N@@H+]1CCC[C@@H](CNC2=[NH+]CCCCN2)C1 ZINC001261577559 992401685 /nfs/dbraw/zinc/40/16/85/992401685.db2.gz CBLKFFMXOFKJOC-LBPRGKRZSA-N 2 0 238.379 1.047 20 0 BDADRP C([C@H]1CCC[NH2+]C1)N1CC[NH2+]CCC12CCC2 ZINC001262032314 992620984 /nfs/dbraw/zinc/62/09/84/992620984.db2.gz PUYMAIMHOYFJJY-ZDUSSCGKSA-N 3 0 237.391 1.204 20 0 BDADRP CC[C@@H]1OCC[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC001573814959 992724908 /nfs/dbraw/zinc/72/49/08/992724908.db2.gz MOULTVDWPPGXSJ-NEPJUHHUSA-N 2 0 212.337 1.143 20 0 BDADRP CO[C@@H](CC(C)C)C[NH+]1CCC(C[NH3+])CC1 ZINC001573950126 992773858 /nfs/dbraw/zinc/77/38/58/992773858.db2.gz WPOWMPKRHBEROS-ZDUSSCGKSA-N 2 0 228.380 1.718 20 0 BDADRP COC1CC(C[NH+]2CCC([C@H]3C[C@@H]3[NH3+])CC2)C1 ZINC001573954298 992776975 /nfs/dbraw/zinc/77/69/75/992776975.db2.gz MVBDKYQCPCMZLS-HOFDXXJLSA-N 2 0 238.375 1.471 20 0 BDADRP Cc1cc(N2CCC([NH3+])CC2)nc(C2CCC2)n1 ZINC001574136954 992812064 /nfs/dbraw/zinc/81/20/64/992812064.db2.gz KBXUQSVVYJAEHU-UHFFFAOYSA-N 2 0 246.358 1.980 20 0 BDADRP C([NH2+][C@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@@H]1CCSC1 ZINC001574774944 992902864 /nfs/dbraw/zinc/90/28/64/992902864.db2.gz QOMZIOQRLFLSRN-VLEAKVRGSA-N 2 0 212.362 1.222 20 0 BDADRP CC[C@@H](O)C[NH2+]Cc1ccccc1C[NH+](C)C ZINC001262557707 992909575 /nfs/dbraw/zinc/90/95/75/992909575.db2.gz JYJYTTFMBWXEJI-CQSZACIVSA-N 2 0 236.359 1.609 20 0 BDADRP C1CC2(C1)C[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H]1[NH2+]3)CCO2 ZINC001574795953 992910526 /nfs/dbraw/zinc/91/05/26/992910526.db2.gz QXQFGDJLUMWRFN-MROQNXINSA-N 2 0 236.359 1.571 20 0 BDADRP C(N[C@@H]1CCC[NH2+]CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001574801503 992912603 /nfs/dbraw/zinc/91/26/03/992912603.db2.gz QMYANWCGVQZENL-UONOGXRCSA-N 2 0 237.391 1.060 20 0 BDADRP C([NH2+][C@H]1C[C@@H]2COC[C@@H]21)[C@H]1CCCCC[NH2+]1 ZINC001574801597 992913238 /nfs/dbraw/zinc/91/32/38/992913238.db2.gz SHWFCJCQAAKQQF-NDBYEHHHSA-N 2 0 224.348 1.143 20 0 BDADRP C1C[NH2+][C@H]([C@H]2CCC[C@@H]2[NH2+][C@H]2CCOC2)C1 ZINC001574801594 992914099 /nfs/dbraw/zinc/91/40/99/992914099.db2.gz SHPHRNBJMHHZFP-RNJOBUHISA-N 2 0 224.348 1.286 20 0 BDADRP C(CC1C[NH2+]C1)[NH2+]C1([C@H]2CCCO2)CCC1 ZINC001574817084 992922698 /nfs/dbraw/zinc/92/26/98/992922698.db2.gz QRILCORPEQQLDK-GFCCVEGCSA-N 2 0 224.348 1.287 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])C[NH2+]C[C@@H]1COCO1 ZINC001575130092 992994790 /nfs/dbraw/zinc/99/47/90/992994790.db2.gz FIBKUAMLQZKHDZ-WDEREUQCSA-N 2 0 230.352 1.103 20 0 BDADRP CC(C)(C)N1CC[C@H]([NH2+]C2CC3(C[C@H]3[NH3+])C2)C1 ZINC001575138867 992996002 /nfs/dbraw/zinc/99/60/02/992996002.db2.gz GXOUNWYUHGCTAS-WDBLDGLGSA-N 2 0 237.391 1.329 20 0 BDADRP CC(C)(C)OC(=O)[C@H]1C[C@H]([NH2+]C2CC([NH3+])C2)C1 ZINC001575241445 993001199 /nfs/dbraw/zinc/00/11/99/993001199.db2.gz IJWVWPYMSHGNBI-RSIPAPEOSA-N 2 0 240.347 1.186 20 0 BDADRP CC(C)(C[NH2+]C[C@]12C[C@H]1C[NH2+]C2)C1CC1 ZINC001575334052 993013347 /nfs/dbraw/zinc/01/33/47/993013347.db2.gz BXEGZJWBNYRZJY-WCQYABFASA-N 2 0 208.349 1.622 20 0 BDADRP c1cc(NC2CC[NH+](CC3CC3)CC2)cc[nH+]1 ZINC001262671347 993014117 /nfs/dbraw/zinc/01/41/17/993014117.db2.gz AKWVEZKWDWMSLX-UHFFFAOYSA-N 2 0 231.343 1.790 20 0 BDADRP CC(C)(CO)[C@H]([NH2+]C[C@H]1CC[C@@H]([NH3+])C1)C1CC1 ZINC001575338891 993017472 /nfs/dbraw/zinc/01/74/72/993017472.db2.gz XZRHCOFMHNTVFD-CYZMBNFOSA-N 2 0 240.391 1.501 20 0 BDADRP CC(C)[C@@](C)(CO)[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC001575418316 993036874 /nfs/dbraw/zinc/03/68/74/993036874.db2.gz PHJQOBCLKBVIGG-QJPTWQEYSA-N 2 0 214.353 1.110 20 0 BDADRP CC(C)[C@@H](C[NH3+])C[N@@H+]1CCc2ccc(O)cc2C1 ZINC001575421950 993041189 /nfs/dbraw/zinc/04/11/89/993041189.db2.gz DEXRIZDMFBXKMC-AWEZNQCLSA-N 2 0 248.370 1.981 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC001575497668 993055466 /nfs/dbraw/zinc/05/54/66/993055466.db2.gz GCGPTAKFVQPYGX-WYUUTHIRSA-N 2 0 212.337 1.269 20 0 BDADRP CC(C)[C@@]1(CO)CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC001575495771 993055836 /nfs/dbraw/zinc/05/58/36/993055836.db2.gz CQGGVWLEGJMKMH-KGLIPLIRSA-N 2 0 240.391 1.326 20 0 BDADRP CC(C)[C@H]1C[C@H]([NH2+][C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC001575497667 993057585 /nfs/dbraw/zinc/05/75/85/993057585.db2.gz GCGPTAKFVQPYGX-WISYIIOYSA-N 2 0 212.337 1.269 20 0 BDADRP CC(C)CC[C@H](CO)[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1 ZINC001575555332 993071063 /nfs/dbraw/zinc/07/10/63/993071063.db2.gz RMQHAEBXYDNTPP-HZSPNIEDSA-N 2 0 242.407 1.904 20 0 BDADRP CC(C)CC[NH+]1CCC(NCC[C@H](C)[NH3+])CC1 ZINC001575574468 993075887 /nfs/dbraw/zinc/07/58/87/993075887.db2.gz KZPHTJITGJORDE-ZDUSSCGKSA-N 2 0 241.423 1.824 20 0 BDADRP CC(C)[C@@H]1C[C@H]1[NH2+]C1CCN(CC[NH3+])CC1 ZINC001575831441 993110840 /nfs/dbraw/zinc/11/08/40/993110840.db2.gz RWDQYPIGIJGZMK-QWHCGFSZSA-N 2 0 225.380 1.044 20 0 BDADRP CC(C)[C@H]([NH2+]CCC1CC[NH2+]CC1)C(C)(C)O ZINC001575842711 993113520 /nfs/dbraw/zinc/11/35/20/993113520.db2.gz VLMBHQFKHIYDCI-ZDUSSCGKSA-N 2 0 242.407 1.761 20 0 BDADRP C[C@@H](CC(C)(C)C)[NH2+]C[C@@]1(O)CC[NH2+]C1 ZINC001575920547 993126022 /nfs/dbraw/zinc/12/60/22/993126022.db2.gz ANTPJODKSSZHMK-CMPLNLGQSA-N 2 0 214.353 1.125 20 0 BDADRP C[C@@H](CC1CCCC1)[NH2+]C[C@@]1(O)CC[NH2+]C1 ZINC001575933707 993130984 /nfs/dbraw/zinc/13/09/84/993130984.db2.gz JRVMVSLMRZPBAF-WCQYABFASA-N 2 0 226.364 1.269 20 0 BDADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H](C)CC[NH+](C)C ZINC001575951947 993136177 /nfs/dbraw/zinc/13/61/77/993136177.db2.gz AISZGYGAFSIINT-WCQYABFASA-N 2 0 243.395 1.064 20 0 BDADRP C[C@H](CC[NH3+])[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC001575962901 993144204 /nfs/dbraw/zinc/14/42/04/993144204.db2.gz ZKOBNWLYPRTJIX-KXNHARMFSA-N 2 0 224.348 1.271 20 0 BDADRP C[C@@H](CCO)[NH2+]CC[C@H]1CCC[NH2+]CC1 ZINC001575968077 993144310 /nfs/dbraw/zinc/14/43/10/993144310.db2.gz VAXFNEASMFHGEW-RYUDHWBXSA-N 2 0 214.353 1.127 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]Cc1cccc2nccn21 ZINC001575989393 993154214 /nfs/dbraw/zinc/15/42/14/993154214.db2.gz XIPWEUPLDSEBPM-JTQLQIEISA-N 2 0 218.304 1.019 20 0 BDADRP C[C@H](Cc1ccno1)[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC001576065639 993169908 /nfs/dbraw/zinc/16/99/08/993169908.db2.gz GOIJYXAHXOXRKR-IEBDPFPHSA-N 2 0 223.320 1.321 20 0 BDADRP CO[C@@H]1CCC[C@H]([N@@H+]2CCC[C@H]([NH3+])CC2)C1 ZINC000378665153 993198994 /nfs/dbraw/zinc/19/89/94/993198994.db2.gz FPNRRQKTWLYURO-RWMBFGLXSA-N 2 0 226.364 1.757 20 0 BDADRP C[C@H](O)C(C)(C)C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC001576264926 993239727 /nfs/dbraw/zinc/23/97/27/993239727.db2.gz MNFUCXSTTQZLJM-DCAQKATOSA-N 2 0 214.353 1.110 20 0 BDADRP C[C@H]([C@H](C)O)[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001576263132 993239802 /nfs/dbraw/zinc/23/98/02/993239802.db2.gz FVNOENRFSIUPOI-AGIUHOORSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@H](O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC001576267582 993240926 /nfs/dbraw/zinc/24/09/26/993240926.db2.gz WYPUQDHSRUPYDN-ZDEQEGDKSA-N 2 0 226.364 1.077 20 0 BDADRP C[C@@H](c1nccc(N)n1)[N@H+](C)CC1CC[NH2+]CC1 ZINC001576314029 993258793 /nfs/dbraw/zinc/25/87/93/993258793.db2.gz CPWRFJRARZDWAV-JTQLQIEISA-N 2 0 249.362 1.051 20 0 BDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]C[C@@H](O)Cc1ccccc1 ZINC001576380522 993285082 /nfs/dbraw/zinc/28/50/82/993285082.db2.gz TWUWCNWXICBORD-IHRRRGAJSA-N 2 0 248.370 1.305 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+][C@H](CO)CC1CCC1 ZINC001576383459 993289206 /nfs/dbraw/zinc/28/92/06/993289206.db2.gz OUDVGUDUWJELAW-QJPTWQEYSA-N 2 0 226.364 1.253 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC001576381507 993293227 /nfs/dbraw/zinc/29/32/27/993293227.db2.gz BWGYXAPMINRIDL-LMLFDSFASA-N 2 0 224.348 1.005 20 0 BDADRP CC1(C)CC2(CC([NH2+][C@H]3C[C@@H]([NH3+])C3)C2)CO1 ZINC001576404685 993295071 /nfs/dbraw/zinc/29/50/71/993295071.db2.gz JWGOXADUNDBNQI-UYVFGJEYSA-N 2 0 224.348 1.413 20 0 BDADRP CC1(C)CCC[C@@]1(O)C[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001576426426 993299901 /nfs/dbraw/zinc/29/99/01/993299901.db2.gz HIIBTPJRNFFJGN-SCBMYKTRSA-N 2 0 238.375 1.397 20 0 BDADRP CC1(C)CC[C@@H](C[NH2+]C2CC3(C[C@@H]3[NH3+])C2)O1 ZINC001576421107 993301929 /nfs/dbraw/zinc/30/19/29/993301929.db2.gz GCQFCSXQAATMCZ-ZRZGDYATSA-N 2 0 224.348 1.413 20 0 BDADRP CC1(C)OCC[C@H]1[NH2+]CCC1([NH3+])CCOCC1 ZINC001576495191 993321231 /nfs/dbraw/zinc/32/12/31/993321231.db2.gz MBEDEUPDVDCSBH-LLVKDONJSA-N 2 0 242.363 1.042 20 0 BDADRP C[C@@]1(C[N@@H+]2CC[C@@H](CC[NH3+])C2)CCCCO1 ZINC001576504003 993324650 /nfs/dbraw/zinc/32/46/50/993324650.db2.gz ZZOAXTNDJDBGLQ-OLZOCXBDSA-N 2 0 226.364 1.616 20 0 BDADRP C[C@]1(C[N@@H+]2CC[C@@H]3[C@H](C2)C3(F)F)CCC[NH2+]C1 ZINC001576503908 993326525 /nfs/dbraw/zinc/32/65/25/993326525.db2.gz XGDJALDFHYETRI-WOPDTQHZSA-N 2 0 244.329 1.963 20 0 BDADRP C[C@@]1(C[NH2+]C2CC3(C[C@@H]3[NH3+])C2)CCCCO1 ZINC001576519114 993331043 /nfs/dbraw/zinc/33/10/43/993331043.db2.gz KKBLAQKVOYSUND-ZFQMDJOTSA-N 2 0 224.348 1.415 20 0 BDADRP C[C@@]1(C[NH2+][C@@H]2CCO[C@H]2C2CC2)CC[NH2+]C1 ZINC001576526248 993331049 /nfs/dbraw/zinc/33/10/49/993331049.db2.gz PDXOPULSFUBOFJ-FRRDWIJNSA-N 2 0 224.348 1.143 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC12CC(C)(C1)OC2 ZINC001576552829 993343549 /nfs/dbraw/zinc/34/35/49/993343549.db2.gz DZKBXYXTVCDKCR-ITSCGTHASA-N 2 0 224.348 1.271 20 0 BDADRP O[C@H](CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000380820859 993350399 /nfs/dbraw/zinc/35/03/99/993350399.db2.gz XPJFARNNPIGSNZ-RBSFLKMASA-N 2 0 246.354 1.261 20 0 BDADRP C[C@@H]1[C@@H](CO)CC[N@@H+]1C[C@H]1CCCC[NH2+]C1 ZINC001576574811 993351623 /nfs/dbraw/zinc/35/16/23/993351623.db2.gz YUIDATYYBBHZBL-FRRDWIJNSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@H]1C[C@H](C)C[NH+](CCN2CCC[C@@H]2C[NH3+])C1 ZINC001576592389 993360690 /nfs/dbraw/zinc/36/06/90/993360690.db2.gz PKJUWELROPHBEX-MELADBBJSA-N 2 0 239.407 1.387 20 0 BDADRP C[C@H]1C[C@H](C[NH2+][C@@H]2C[C@@H]3CC[C@H]2O3)CC[NH2+]1 ZINC001576597470 993361337 /nfs/dbraw/zinc/36/13/37/993361337.db2.gz FINOKWIXEJSGIK-OBPIAQAESA-N 2 0 224.348 1.284 20 0 BDADRP COC1(C)CC[NH+]([C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000381089656 993369419 /nfs/dbraw/zinc/36/94/19/993369419.db2.gz USXPBUOLJIPYSE-VXGBXAGGSA-N 2 0 226.364 1.628 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC001576623981 993373552 /nfs/dbraw/zinc/37/35/52/993373552.db2.gz NPUHFCDOYVARFE-RVMXOQNASA-N 3 0 225.380 1.186 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C2CC3(C[C@@H]3[NH3+])C2)[C@@H](C)O1 ZINC001576623927 993373996 /nfs/dbraw/zinc/37/39/96/993373996.db2.gz MUMJLZZLXHPZKT-OPICKYNISA-N 2 0 210.321 1.022 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCC2([NH3+])CCOCC2)CS1 ZINC001576624812 993374363 /nfs/dbraw/zinc/37/43/63/993374363.db2.gz UEZVELQHHAZPMN-QWRGUYRKSA-N 2 0 244.404 1.368 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)CCO1 ZINC001576625425 993375365 /nfs/dbraw/zinc/37/53/65/993375365.db2.gz YXSOQYNTUHPGEQ-KXNHARMFSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@@H]1CC2(C[N@@H+]1CC1=NOCC1)CC[NH2+]CC2 ZINC001576637187 993379424 /nfs/dbraw/zinc/37/94/24/993379424.db2.gz HETCVTGXKUHDAY-LLVKDONJSA-N 2 0 237.347 1.227 20 0 BDADRP CN1CC[C@H]([NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000381374414 993388092 /nfs/dbraw/zinc/38/80/92/993388092.db2.gz JGTCPUHYPITNCE-RWMBFGLXSA-N 2 0 225.380 1.153 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C[C@@H]1O ZINC001576729712 993408376 /nfs/dbraw/zinc/40/83/76/993408376.db2.gz WOOFAFUXVZMJER-UPJWGTAASA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C[C@H]1CO ZINC001576732466 993410155 /nfs/dbraw/zinc/41/01/55/993410155.db2.gz VBDSLAOWKLIAFQ-MROQNXINSA-N 2 0 226.364 1.064 20 0 BDADRP C[C@@H]1CCN[C@H](C)[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC001576748670 993413111 /nfs/dbraw/zinc/41/31/11/993413111.db2.gz KTDPFPDNEMRXFX-YRGRVCCFSA-N 2 0 239.407 1.304 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC001576755043 993415388 /nfs/dbraw/zinc/41/53/88/993415388.db2.gz WNHGKLVPRGTSIK-ZRJCITRHSA-N 2 0 238.375 1.532 20 0 BDADRP C[C@H]1COCC[C@@H]1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001576854142 993430865 /nfs/dbraw/zinc/43/08/65/993430865.db2.gz LXCSLRUNAOPSRJ-YNEHKIRRSA-N 2 0 226.364 1.248 20 0 BDADRP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC001576904998 993451482 /nfs/dbraw/zinc/45/14/82/993451482.db2.gz ZTZHXGXYIOJYGS-HTXLXMOSSA-N 2 0 226.364 1.243 20 0 BDADRP CC(C)C[NH+]1CCC([NH2+]CCC(C)(C)O)CC1 ZINC000382381871 993454691 /nfs/dbraw/zinc/45/46/91/993454691.db2.gz CWCZFVPXQMQBTQ-UHFFFAOYSA-N 2 0 242.407 1.857 20 0 BDADRP CCC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC001576941381 993460573 /nfs/dbraw/zinc/46/05/73/993460573.db2.gz HKEMNIYZSKPEDD-NEPJUHHUSA-N 2 0 240.391 1.922 20 0 BDADRP CC[C@H](C)[C@@H](C(=O)OC)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC001576967738 993468609 /nfs/dbraw/zinc/46/86/09/993468609.db2.gz WTICSYKAABKKBH-SRVKXCTJSA-N 2 0 242.363 1.245 20 0 BDADRP CC[C@H](C)[C@H](C(=O)OC)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC001576965740 993472412 /nfs/dbraw/zinc/47/24/12/993472412.db2.gz DHJZDVGTYQFIMB-IRCOFANPSA-N 2 0 242.363 1.101 20 0 BDADRP CCC(CC)(C[NH3+])C[NH2+][C@H]1C[C@@](C)(O)C1 ZINC001577052586 993489765 /nfs/dbraw/zinc/48/97/65/993489765.db2.gz YHRLDAVDLRUARB-PHIMTYICSA-N 2 0 214.353 1.255 20 0 BDADRP CC[C@H]([NH2+]C)C(=O)NCc1c[nH]c(C(C)C)n1 ZINC001577172185 993525943 /nfs/dbraw/zinc/52/59/43/993525943.db2.gz OEEDMTDKUUPEQR-JTQLQIEISA-N 2 0 238.335 1.147 20 0 BDADRP CC[C@@H]([NH2+]CC(CC)(CC)C[NH3+])[C@H](C)O ZINC001577175932 993530835 /nfs/dbraw/zinc/53/08/35/993530835.db2.gz MWMZBDADFIEVHT-WDEREUQCSA-N 2 0 216.369 1.501 20 0 BDADRP CC[C@H]([NH2+]C)C(=O)Nc1ccc2c[nH+]cn2c1 ZINC001577175585 993532328 /nfs/dbraw/zinc/53/23/28/993532328.db2.gz CBYGMAOZXJTWJU-NSHDSACASA-N 2 0 232.287 1.271 20 0 BDADRP CC[C@H]([NH2+]C1CC2(C[C@@H]2[NH3+])C1)[C@H](O)C(C)C ZINC001577175567 993534464 /nfs/dbraw/zinc/53/44/64/993534464.db2.gz BOWMYPKPPDGNKY-DEZFMIAVSA-N 2 0 226.364 1.251 20 0 BDADRP CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)[C@@H](O)C(C)C ZINC001577176101 993535302 /nfs/dbraw/zinc/53/53/02/993535302.db2.gz SGZHTQHTBVFABL-UPJWGTAASA-N 2 0 228.380 1.371 20 0 BDADRP CC[C@](O)(CN(C)CCC[NH2+]C)C(F)(F)F ZINC001577182402 993537052 /nfs/dbraw/zinc/53/70/52/993537052.db2.gz OIPWPNKDTHITOH-VIFPVBQESA-N 2 0 242.285 1.231 20 0 BDADRP CC[C@]1(C)C[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)CCO1 ZINC001577208866 993544013 /nfs/dbraw/zinc/54/40/13/993544013.db2.gz NOBOUIAPQOVIKP-MELADBBJSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@H]1C[C@@H]([NH2+]C2CC3(CC([NH3+])C3)C2)CO1 ZINC001577240207 993555152 /nfs/dbraw/zinc/55/51/52/993555152.db2.gz CUWRVBHFPMNZKH-ZZPXGVNTSA-N 2 0 224.348 1.413 20 0 BDADRP CC[NH+](CC)C1CC[NH+](CCCC[NH3+])CC1 ZINC000384247259 993567809 /nfs/dbraw/zinc/56/78/09/993567809.db2.gz JWBBGVKDIOVHKO-UHFFFAOYSA-N 3 0 227.396 1.532 20 0 BDADRP CCC[C@@H](C)[C@H](CO)[NH2+]CC12CC(C1)C[NH2+]2 ZINC001577336620 993605943 /nfs/dbraw/zinc/60/59/43/993605943.db2.gz SQANHIKVRIJNET-IGJPJIBNSA-N 2 0 226.364 1.125 20 0 BDADRP CCC[C@@H]1[C@H](C)CCC[N@@H+]1C[C@@H](O)C[NH2+]C ZINC001577375251 993627491 /nfs/dbraw/zinc/62/74/91/993627491.db2.gz UPJVYWFYPJCAAE-FRRDWIJNSA-N 2 0 228.380 1.467 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001577510512 993667229 /nfs/dbraw/zinc/66/72/29/993667229.db2.gz QHGJQGFXTNTCLA-MELADBBJSA-N 2 0 241.423 1.837 20 0 BDADRP CCCN(CC[NH+](CC)CC)C(=O)[C@H](C)[NH2+]C ZINC001577518892 993675484 /nfs/dbraw/zinc/67/54/84/993675484.db2.gz BWZQPEJHIIMMLD-LBPRGKRZSA-N 2 0 243.395 1.175 20 0 BDADRP CCCNC(=O)CCC[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC001577538602 993679092 /nfs/dbraw/zinc/67/90/92/993679092.db2.gz CUNVJSFVQGFBSQ-WDEREUQCSA-N 2 0 241.379 1.008 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CC23CCOCC3)CC1 ZINC000386949235 993698848 /nfs/dbraw/zinc/69/88/48/993698848.db2.gz WHHYMCIRTLGAHW-OLZOCXBDSA-N 2 0 238.375 1.629 20 0 BDADRP CO[C@H](C)C[NH2+]C(C)(C)CCC[NH+](C)C ZINC000387381566 993707896 /nfs/dbraw/zinc/70/78/96/993707896.db2.gz YMSZGIDBHJNMHP-LLVKDONJSA-N 2 0 216.369 1.731 20 0 BDADRP CC[N@H+](C)[C@H]1CCN(C[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC001577654715 993708171 /nfs/dbraw/zinc/70/81/71/993708171.db2.gz GUIVDPCXFVXWEO-MNOVXSKESA-N 2 0 247.333 1.010 20 0 BDADRP CC[N@H+](C)[C@@H]1CCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC001577655150 993710889 /nfs/dbraw/zinc/71/08/89/993710889.db2.gz SXMYMLBZYKJMJG-CHWSQXEVSA-N 2 0 225.380 1.012 20 0 BDADRP C[C@@H](Cc1ccco1)[NH2+]CCSCC[NH3+] ZINC000389747936 993762423 /nfs/dbraw/zinc/76/24/23/993762423.db2.gz IBFZOPBBORXIHQ-JTQLQIEISA-N 2 0 228.361 1.492 20 0 BDADRP CC(C)O[C@@H]1CC[N@@H+]([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000701658428 993898430 /nfs/dbraw/zinc/89/84/30/993898430.db2.gz RXAVVATYAOYZHH-FRRDWIJNSA-N 2 0 226.364 1.626 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH+]2CC[C@](C)(CO)C2)C1 ZINC000702110316 993964716 /nfs/dbraw/zinc/96/47/16/993964716.db2.gz UFRCEXHADDUAAJ-OLZOCXBDSA-N 2 0 226.364 1.033 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000702212736 993973536 /nfs/dbraw/zinc/97/35/36/993973536.db2.gz BVGRKFKRKXYSLB-PEGIJTEDSA-N 2 0 212.337 1.284 20 0 BDADRP CCOC(C)(C)C[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC000702665521 994031618 /nfs/dbraw/zinc/03/16/18/994031618.db2.gz YRGAJGOXYZUFFC-QWHCGFSZSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1c([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cnn1C ZINC001336116619 994953583 /nfs/dbraw/zinc/95/35/83/994953583.db2.gz HNFZSPWALHPOCU-INTQDDNPSA-N 2 0 222.336 1.116 20 0 BDADRP C[C@H]([NH3+])C[N@@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC001336276092 994993812 /nfs/dbraw/zinc/99/38/12/994993812.db2.gz ACJVCDNTJRVQCD-OFTGVCEQSA-N 2 0 206.333 1.478 20 0 BDADRP C[N@@H+]1CCCC12CC[NH+](CCCCO)CC2 ZINC001307610102 995418971 /nfs/dbraw/zinc/41/89/71/995418971.db2.gz VNKFCTOPPSWOSD-UHFFFAOYSA-N 2 0 226.364 1.319 20 0 BDADRP CCN1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCO[C@@H]2C)C1 ZINC000378685713 346808237 /nfs/dbraw/zinc/80/82/37/346808237.db2.gz DROXZQAYZMKXPP-KKOKHZNYSA-N 2 0 212.337 1.094 20 0 BDADRP CC[C@@](C)(O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161566175 538916942 /nfs/dbraw/zinc/91/69/42/538916942.db2.gz SDAZTQWDWYZSBY-CQSZACIVSA-N 2 0 249.358 1.365 20 0 BDADRP COC[C@@H](C)C[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000188454188 346812453 /nfs/dbraw/zinc/81/24/53/346812453.db2.gz OBVHQVYYYQUNLQ-ZDUSSCGKSA-N 2 0 242.407 1.981 20 0 BDADRP C[C@@H](CCO)[N@H+](C)CCC[NH+]1CCCCC1 ZINC000649869975 398156425 /nfs/dbraw/zinc/15/64/25/398156425.db2.gz QYZCJBKHELDYPX-ZDUSSCGKSA-N 2 0 228.380 1.565 20 0 BDADRP Cc1cc(C[NH2+]CC2CC[NH+](C)CC2)on1 ZINC000054243774 178020594 /nfs/dbraw/zinc/02/05/94/178020594.db2.gz GZXNYCJWCNXSFF-UHFFFAOYSA-N 2 0 223.320 1.414 20 0 BDADRP Cc1nnsc1C[NH2+]CCCC[NH+](C)C ZINC000379835741 398170259 /nfs/dbraw/zinc/17/02/59/398170259.db2.gz FFKPALHULGKFNO-UHFFFAOYSA-N 2 0 228.365 1.278 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCO[C@H]1C ZINC000308712436 136216499 /nfs/dbraw/zinc/21/64/99/136216499.db2.gz ZMZVWBNZWMGDEA-OUAUKWLOSA-N 2 0 200.326 1.271 20 0 BDADRP CC(C)CC[C@@](C)(O)C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422977044 398160946 /nfs/dbraw/zinc/16/09/46/398160946.db2.gz JHJBSSPRLJYKCN-WCQYABFASA-N 2 0 228.380 1.371 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC1([C@@H](C)CCO)CCC1 ZINC000423019855 398161027 /nfs/dbraw/zinc/16/10/27/398161027.db2.gz XLUSTZMQCUQUIU-RWMBFGLXSA-N 2 0 242.407 1.891 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCCOCC1)[C@@H]1CCC[NH2+]1 ZINC000423024484 398163144 /nfs/dbraw/zinc/16/31/44/398163144.db2.gz JODNVDWHUJXBJY-UTUOFQBUSA-N 2 0 212.337 1.286 20 0 BDADRP C[C@@H](C[N@H+](C)CCN1CC[NH2+]CC1)C(C)(C)C ZINC000379730269 398164110 /nfs/dbraw/zinc/16/41/10/398164110.db2.gz LYMBQUZCJKRIKX-ZDUSSCGKSA-N 2 0 241.423 1.506 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)[C@H]2CCCO2)C1 ZINC000379761279 398164803 /nfs/dbraw/zinc/16/48/03/398164803.db2.gz DSOJHEDKXKBNDA-MELADBBJSA-N 2 0 240.391 1.874 20 0 BDADRP COC[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)C(C)C ZINC000423327081 398166279 /nfs/dbraw/zinc/16/62/79/398166279.db2.gz LAXBZELUTFBZHZ-QWHCGFSZSA-N 2 0 228.380 1.637 20 0 BDADRP C[C@@H]1[C@@H]([NH2+][C@@H]2CCCOCC2)CCCN1C ZINC000336745723 398186725 /nfs/dbraw/zinc/18/67/25/398186725.db2.gz QVVOMQXDCJLCEB-UPJWGTAASA-N 2 0 226.364 1.628 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CCOCC1CC1 ZINC000336686757 398188651 /nfs/dbraw/zinc/18/86/51/398188651.db2.gz LZJXNRZKNRNXSB-SNVBAGLBSA-N 2 0 200.326 1.130 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC000576346958 365573740 /nfs/dbraw/zinc/57/37/40/365573740.db2.gz VKJMUXGFLQAORI-AGIUHOORSA-N 3 0 225.380 1.045 20 0 BDADRP C[N@H+](C[C@@H](O)C[NH3+])C[C@H]1CCCC(C)(C)C1 ZINC000576368569 365579559 /nfs/dbraw/zinc/57/95/59/365579559.db2.gz AZUFOLSIVXYRQC-RYUDHWBXSA-N 2 0 228.380 1.454 20 0 BDADRP CCC[C@H](C[NH2+]CCCC[NH+](C)C)OC ZINC000386532679 398211745 /nfs/dbraw/zinc/21/17/45/398211745.db2.gz AYQCZNQAMXCNMP-GFCCVEGCSA-N 2 0 216.369 1.733 20 0 BDADRP C[C@@H]([NH3+])CN1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000649413852 398212032 /nfs/dbraw/zinc/21/20/32/398212032.db2.gz MWSCNIXEZNRQCS-UKRRQHHQSA-N 2 0 247.386 1.540 20 0 BDADRP C[C@@H]([NH3+])CN1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000649413851 398212052 /nfs/dbraw/zinc/21/20/52/398212052.db2.gz MWSCNIXEZNRQCS-HIFRSBDPSA-N 2 0 247.386 1.540 20 0 BDADRP CCc1ncc(CN(C)CCOCC[NH3+])s1 ZINC000649413617 398212178 /nfs/dbraw/zinc/21/21/78/398212178.db2.gz ROTPQCLRVMUHEJ-UHFFFAOYSA-N 2 0 243.376 1.113 20 0 BDADRP Cc1cc(NC[C@@H](C)N2CC[NH+](C)CC2)cc[nH+]1 ZINC000274805045 178164665 /nfs/dbraw/zinc/16/46/65/178164665.db2.gz LGBHLHXPWCBQGA-CYBMUJFWSA-N 2 0 248.374 1.438 20 0 BDADRP Cc1noc(C)c1C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000070148614 398221116 /nfs/dbraw/zinc/22/11/16/398221116.db2.gz GSWYEACMRBCVSL-LBPRGKRZSA-N 2 0 237.347 1.995 20 0 BDADRP C[C@H](CNC(=O)C(C)(C)[NH3+])[N@@H+]1CCCC[C@@H]1C ZINC000430749871 398229943 /nfs/dbraw/zinc/22/99/43/398229943.db2.gz XTFAACKQDDHCQH-WDEREUQCSA-N 2 0 241.379 1.103 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@@H](O)C(C)(C)C)CC1 ZINC000164008611 538931485 /nfs/dbraw/zinc/93/14/85/538931485.db2.gz PKNLEIRDEWKVGN-CYBMUJFWSA-N 2 0 242.407 1.857 20 0 BDADRP CCC[C@@H](C)C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000397109269 262834142 /nfs/dbraw/zinc/83/41/42/262834142.db2.gz PVIIJZPZADMNET-LLVKDONJSA-N 2 0 214.353 1.208 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CCCOCC(F)(F)F ZINC000576506750 365612435 /nfs/dbraw/zinc/61/24/35/365612435.db2.gz GQRLQOAYJXMZBR-SECBINFHSA-N 2 0 242.285 1.672 20 0 BDADRP c1ccc2c(c1)CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)C2 ZINC000232473609 136229195 /nfs/dbraw/zinc/22/91/95/136229195.db2.gz TZURJHXXWKIRGV-GJZGRUSLSA-N 2 0 230.355 1.886 20 0 BDADRP CC1(C)OCC[C@H]1[NH2+][C@H]1CCN(CC2CC2)C1 ZINC000645406943 398246335 /nfs/dbraw/zinc/24/63/35/398246335.db2.gz HUYYHDMBOIBIJB-QWHCGFSZSA-N 2 0 238.375 1.628 20 0 BDADRP CC1(C)C[N@H+](CC[C@@H]2CC[NH2+]C2)CCCO1 ZINC000381289173 398249789 /nfs/dbraw/zinc/24/97/89/398249789.db2.gz CNMOEJMORWBWEK-LBPRGKRZSA-N 2 0 226.364 1.487 20 0 BDADRP CC[C@H](C)[C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)OC ZINC000381273168 398249796 /nfs/dbraw/zinc/24/97/96/398249796.db2.gz IJHMPWCEXWXBQZ-CYDGBPFRSA-N 2 0 228.380 1.907 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCc1ccc2c(c1)OCO2 ZINC000258932391 349536268 /nfs/dbraw/zinc/53/62/68/349536268.db2.gz JMTVLQXHCVUPTQ-NWDGAFQWSA-N 2 0 248.326 1.427 20 0 BDADRP C[C@@H]1C[N@@H+]([C@H]2CCCOCC2)C[C@@]1(C)C[NH3+] ZINC000309220675 259311506 /nfs/dbraw/zinc/31/15/06/259311506.db2.gz XTLIXGYEEVELTP-FRRDWIJNSA-N 2 0 226.364 1.472 20 0 BDADRP CCC1(C[NH2+][C@@H](CCC[NH3+])COC)CC1 ZINC000232992759 343999608 /nfs/dbraw/zinc/99/96/08/343999608.db2.gz GGEBEPSODJDTIC-NSHDSACASA-N 2 0 214.353 1.520 20 0 BDADRP C[C@H]([NH2+]C1CCOCC1)C1CC[NH+](C)CC1 ZINC000036319113 538959579 /nfs/dbraw/zinc/95/95/79/538959579.db2.gz JNCBVKNWEMCURC-NSHDSACASA-N 2 0 226.364 1.485 20 0 BDADRP CCOCCC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000037210313 538961950 /nfs/dbraw/zinc/96/19/50/538961950.db2.gz CDQSHUZIJSSDHK-GFCCVEGCSA-N 2 0 228.380 1.733 20 0 BDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000583937441 342728537 /nfs/dbraw/zinc/72/85/37/342728537.db2.gz NCVIGRJXTAOGCY-IJLUTSLNSA-N 2 0 241.379 1.103 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](CCCn2ccnc2C)C1 ZINC000348749052 136238020 /nfs/dbraw/zinc/23/80/20/136238020.db2.gz MTNXBPOVJRUMLX-CYBMUJFWSA-N 2 0 236.363 1.123 20 0 BDADRP C(C[NH2+][C@@H]1CCO[C@H]1C1CC1)C[NH+]1CCCC1 ZINC000232457254 342834929 /nfs/dbraw/zinc/83/49/29/342834929.db2.gz RKFXHUOZCBERMB-KGLIPLIRSA-N 2 0 238.375 1.629 20 0 BDADRP CC[NH+]1CCC(CC[NH2+]Cc2ncc[nH]2)CC1 ZINC000174551150 361927647 /nfs/dbraw/zinc/92/76/47/361927647.db2.gz SKNMFZIMSDWURL-UHFFFAOYSA-N 2 0 236.363 1.621 20 0 BDADRP COCC1([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000381759641 539007252 /nfs/dbraw/zinc/00/72/52/539007252.db2.gz TULMXPDUFWDLFW-NEPJUHHUSA-N 2 0 224.348 1.382 20 0 BDADRP CC(C)[C@H]([NH2+]CCOCC[NH+](C)C)C1CC1 ZINC000390292017 539020818 /nfs/dbraw/zinc/02/08/18/539020818.db2.gz ZBPVLEFVXVJFIG-ZDUSSCGKSA-N 2 0 228.380 1.589 20 0 BDADRP C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCCCO1 ZINC000390310883 539020840 /nfs/dbraw/zinc/02/08/40/539020840.db2.gz FWKQWDOFEUJTMM-JHJVBQTASA-N 2 0 224.348 1.097 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)C1 ZINC000392184293 539027779 /nfs/dbraw/zinc/02/77/79/539027779.db2.gz BTGSMQQEXPPXEV-KGLIPLIRSA-N 2 0 238.375 1.796 20 0 BDADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(O)cc2)CC1 ZINC000392207967 539028191 /nfs/dbraw/zinc/02/81/91/539028191.db2.gz OCFHIERWWBAMAC-UHFFFAOYSA-N 2 0 232.327 1.744 20 0 BDADRP Cc1ccccc1C[N@@H+]1CCCN(CC[NH3+])CC1 ZINC000037039707 398300142 /nfs/dbraw/zinc/30/01/42/398300142.db2.gz RZIIHGCYVKCANU-UHFFFAOYSA-N 2 0 247.386 1.461 20 0 BDADRP CC[NH+](CC)CCNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000399466752 398308079 /nfs/dbraw/zinc/30/80/79/398308079.db2.gz UADMHQNWTMYIHJ-NEPJUHHUSA-N 2 0 243.395 1.064 20 0 BDADRP Cc1ccncc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000167235389 136244687 /nfs/dbraw/zinc/24/46/87/136244687.db2.gz YJKIAJQFVAAZSM-CHWSQXEVSA-N 2 0 219.332 1.750 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2=CC[N@H+](C)CC2)CS1 ZINC000392271923 398316893 /nfs/dbraw/zinc/31/68/93/398316893.db2.gz VDOMDHGBYBTKDO-PWSUYJOCSA-N 2 0 226.389 1.732 20 0 BDADRP Cc1ccncc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000167235498 136245284 /nfs/dbraw/zinc/24/52/84/136245284.db2.gz YJKIAJQFVAAZSM-OLZOCXBDSA-N 2 0 219.332 1.750 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+]CC2CC[NH2+]CC2)C1(C)C ZINC000233770239 342912248 /nfs/dbraw/zinc/91/22/48/342912248.db2.gz IKGJCHDGXDAEOD-OLZOCXBDSA-N 2 0 240.391 1.779 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C1 ZINC000584004473 342900403 /nfs/dbraw/zinc/90/04/03/342900403.db2.gz LYVPREKAMZYCSC-DDHJBXDOSA-N 2 0 220.316 1.995 20 0 BDADRP C[C@@H]1CC[C@H]([N@H+](C)C[C@H](O)CN(C)C2CC2)C1 ZINC000351618781 136248298 /nfs/dbraw/zinc/24/82/98/136248298.db2.gz IMOIWONXUXTRHM-KWCYVHTRSA-N 2 0 240.391 1.562 20 0 BDADRP C[N@@H+]1CCC[C@H]2CN(CCn3ccnc3)CC[C@@H]21 ZINC000162290165 349645262 /nfs/dbraw/zinc/64/52/62/349645262.db2.gz OVOMDPKRDOYILN-KBPBESRZSA-N 2 0 248.374 1.299 20 0 BDADRP CO[C@H](C)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756229 398326399 /nfs/dbraw/zinc/32/63/99/398326399.db2.gz RWNUOESKBDQWFA-GFCCVEGCSA-N 2 0 226.364 1.439 20 0 BDADRP CCOC[C@H]1CCCC[N@@H+]1CCC[NH3+] ZINC000313231855 259331515 /nfs/dbraw/zinc/33/15/15/259331515.db2.gz NYGKGTSKSYROTR-LLVKDONJSA-N 2 0 200.326 1.226 20 0 BDADRP CC[N@@H+]1CC[C@@H](NC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000247945190 398337875 /nfs/dbraw/zinc/33/78/75/398337875.db2.gz HGFZWJYZCSMVLW-GXTWGEPZSA-N 2 0 239.407 1.401 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000358146633 398339130 /nfs/dbraw/zinc/33/91/30/398339130.db2.gz DGEAGZFKWBANNC-ZOBORPQBSA-N 2 0 242.407 1.856 20 0 BDADRP C[NH+](C)Cc1ccc(NC(=O)C[NH2+]C2CC2)cc1 ZINC000037609651 398332497 /nfs/dbraw/zinc/33/24/97/398332497.db2.gz WTJLBFVYCLQGPO-UHFFFAOYSA-N 2 0 247.342 1.439 20 0 BDADRP CCOCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000038000178 398335665 /nfs/dbraw/zinc/33/56/65/398335665.db2.gz YYIFFNWWCIKGGI-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP CO[C@@H](C)C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000223896354 488188512 /nfs/dbraw/zinc/18/85/12/488188512.db2.gz VBSACFWNWZXJHX-BIMULSAOSA-N 2 0 220.316 1.756 20 0 BDADRP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313350926 259333916 /nfs/dbraw/zinc/33/39/16/259333916.db2.gz LBYMDSPWBHLWAF-MGPQQGTHSA-N 2 0 240.391 1.862 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](CCO)C1 ZINC000678075734 488190631 /nfs/dbraw/zinc/19/06/31/488190631.db2.gz NYRUHSRJLSKCRM-KGLIPLIRSA-N 2 0 240.391 1.565 20 0 BDADRP CCc1cc(NCCN2CC[NH+](C)CC2)cc[nH+]1 ZINC000307775072 529554848 /nfs/dbraw/zinc/55/48/48/529554848.db2.gz SCMWENAWQCPGKE-UHFFFAOYSA-N 2 0 248.374 1.303 20 0 BDADRP CN1CCO[C@@H](CSC[C@H]2CC[N@H+](C)C2)C1 ZINC000518183725 259338298 /nfs/dbraw/zinc/33/82/98/259338298.db2.gz LMADOBUQPMJMSO-NWDGAFQWSA-N 2 0 244.404 1.002 20 0 BDADRP C[C@H](O)[C@H]1CCC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000562746406 323029764 /nfs/dbraw/zinc/02/97/64/323029764.db2.gz HDPUDQOASUMIKH-RQJABVFESA-N 2 0 240.391 1.467 20 0 BDADRP Cc1nccn1CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000309239526 259342064 /nfs/dbraw/zinc/34/20/64/259342064.db2.gz WHHHQSKQMZOMKZ-NEPJUHHUSA-N 2 0 222.336 1.051 20 0 BDADRP Cc1nccn1CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000309239530 259342112 /nfs/dbraw/zinc/34/21/12/259342112.db2.gz WHHHQSKQMZOMKZ-RYUDHWBXSA-N 2 0 222.336 1.051 20 0 BDADRP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000216559546 136264447 /nfs/dbraw/zinc/26/44/47/136264447.db2.gz QMPSTKWMPNGZNI-MCIONIFRSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2C[NH3+])CO1 ZINC000402110737 349793322 /nfs/dbraw/zinc/79/33/22/349793322.db2.gz DCAZJHAMCIZGPJ-WYUUTHIRSA-N 2 0 212.337 1.271 20 0 BDADRP CSC[C@@H](O)C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000576863764 365706508 /nfs/dbraw/zinc/70/65/08/365706508.db2.gz MJXTZSHDIRWLGR-NEPJUHHUSA-N 2 0 246.420 1.032 20 0 BDADRP Cc1cc(C[NH2+]CC2(C)CC[NH+](C)CC2)on1 ZINC000383650694 362046612 /nfs/dbraw/zinc/04/66/12/362046612.db2.gz DJFGVFJQBBKJAF-UHFFFAOYSA-N 2 0 237.347 1.805 20 0 BDADRP Cc1ccc(C[NH+]2CCC([NH3+])CC2)s1 ZINC000026513915 343106409 /nfs/dbraw/zinc/10/64/09/343106409.db2.gz OYVBLSUEUSHCKV-UHFFFAOYSA-N 2 0 210.346 1.980 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+]CC[C@@H]2CCOC2)C1 ZINC000569658369 323035768 /nfs/dbraw/zinc/03/57/68/323035768.db2.gz CEKJLMPJZFVHQD-ZIAGYGMSSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+]Cc2ccc(C[NH3+])cc2)CC[NH2+]1 ZINC000576875323 365710123 /nfs/dbraw/zinc/71/01/23/365710123.db2.gz IRBKHWXJFQXZJS-IUODEOHRSA-N 3 0 247.386 1.623 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(C[NH3+])cc2)CC[NH2+]1 ZINC000576875319 365710427 /nfs/dbraw/zinc/71/04/27/365710427.db2.gz IRBKHWXJFQXZJS-DOMZBBRYSA-N 3 0 247.386 1.623 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CC1(C)C ZINC000234788804 536850404 /nfs/dbraw/zinc/85/04/04/536850404.db2.gz HZTQLRHXMYWUFV-QWRGUYRKSA-N 2 0 214.353 1.376 20 0 BDADRP C[C@@H]([NH3+])CCC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000576927363 365723054 /nfs/dbraw/zinc/72/30/54/365723054.db2.gz UQSWFROTZJYQFT-SNVBAGLBSA-N 2 0 247.342 1.398 20 0 BDADRP CCC(C)(C)[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000576939636 365726939 /nfs/dbraw/zinc/72/69/39/365726939.db2.gz QZFYDZBLHAFNCI-CHWSQXEVSA-N 2 0 242.407 1.857 20 0 BDADRP Cc1ccc(O)c(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)n1 ZINC000131427577 343183728 /nfs/dbraw/zinc/18/37/28/343183728.db2.gz FBOFILPEWOWKMQ-WDEREUQCSA-N 2 0 235.331 1.407 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000093215626 343151031 /nfs/dbraw/zinc/15/10/31/343151031.db2.gz LDTUMMJGFJDURF-ZIAGYGMSSA-N 3 0 239.407 1.578 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cccn2C)C1 ZINC000050596136 343177184 /nfs/dbraw/zinc/17/71/84/343177184.db2.gz SHMXUTAXYLZEBT-ZDUSSCGKSA-N 2 0 235.375 1.845 20 0 BDADRP C[C@H](O)CC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000167747957 343209452 /nfs/dbraw/zinc/20/94/52/343209452.db2.gz PPZQKVVHIZJQAA-NSHDSACASA-N 2 0 228.380 1.610 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C1COC1 ZINC000082487876 136276647 /nfs/dbraw/zinc/27/66/47/136276647.db2.gz IBLKOGJGNSXSRR-NSHDSACASA-N 2 0 214.353 1.485 20 0 BDADRP COC[C@@H](C)C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000132171426 343187646 /nfs/dbraw/zinc/18/76/46/343187646.db2.gz QQLUSTKQAZTCJR-LBPRGKRZSA-N 2 0 240.391 1.733 20 0 BDADRP COCC[NH2+]CCNc1cc[nH+]c2ccccc12 ZINC000215522912 136277763 /nfs/dbraw/zinc/27/77/63/136277763.db2.gz YQQXWMFMJXCNPK-UHFFFAOYSA-N 2 0 245.326 1.883 20 0 BDADRP C[NH2+]C[C@@](C)(O)C[N@H+](C)C[C@H](C)C(C)(C)C ZINC000634688261 343246523 /nfs/dbraw/zinc/24/65/23/343246523.db2.gz NHPGFJLJHNTELA-WCQYABFASA-N 2 0 230.396 1.571 20 0 BDADRP Cn1nccc1CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000634688656 343248467 /nfs/dbraw/zinc/24/84/67/343248467.db2.gz ZQYVBMAZGCXCCH-TZMCWYRMSA-N 2 0 248.374 1.037 20 0 BDADRP C[C@H]([NH3+])C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000037042496 343331621 /nfs/dbraw/zinc/33/16/21/343331621.db2.gz RSMVYKSRMNYPGO-VIFPVBQESA-N 2 0 221.304 1.034 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1NCC1([NH3+])CCCCC1 ZINC000335625217 136299265 /nfs/dbraw/zinc/29/92/65/136299265.db2.gz OPTPETFISHKSGO-QWHCGFSZSA-N 2 0 239.407 1.898 20 0 BDADRP C[C@H](CNC(=O)C[C@@H]([NH3+])c1ccccc1)[NH+](C)C ZINC000038089267 343370497 /nfs/dbraw/zinc/37/04/97/343370497.db2.gz INPSIGVZKBUJBA-DGCLKSJQSA-N 2 0 249.358 1.143 20 0 BDADRP C[NH+]1CCC(NCc2cn3ccccc3n2)CC1 ZINC000037248794 343340878 /nfs/dbraw/zinc/34/08/78/343340878.db2.gz IUNMHFBHXKZEGW-UHFFFAOYSA-N 2 0 244.342 1.518 20 0 BDADRP c1[nH]nc2c1cccc2CN[C@@H]1CC[NH2+]C1 ZINC000335642591 136309091 /nfs/dbraw/zinc/30/90/91/136309091.db2.gz GEBRACUOKDQKQK-LLVKDONJSA-N 2 0 216.288 1.014 20 0 BDADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](O)C2CC2)CC1 ZINC000348962851 136311061 /nfs/dbraw/zinc/31/10/61/136311061.db2.gz IISVDDNLKPLOIR-CYBMUJFWSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000349151973 136326419 /nfs/dbraw/zinc/32/64/19/136326419.db2.gz PFSNJLNSKSNCHW-IJLUTSLNSA-N 2 0 219.332 1.865 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1CCC12CCOCC2 ZINC000367084767 136332965 /nfs/dbraw/zinc/33/29/65/136332965.db2.gz CCYIIQZODCFVRN-STQMWFEESA-N 2 0 240.391 1.875 20 0 BDADRP COCCC[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000082594497 343450322 /nfs/dbraw/zinc/45/03/22/343450322.db2.gz YTYARQKSETUOKI-LLVKDONJSA-N 2 0 200.326 1.226 20 0 BDADRP CO[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000167126273 136368118 /nfs/dbraw/zinc/36/81/18/136368118.db2.gz ZBHIFHPBGWIZFP-HBNTYKKESA-N 2 0 200.326 1.094 20 0 BDADRP C[N@@H+]1CCC[C@@H]2C[NH+](CC3CC3)CC[C@H]21 ZINC000247973814 136373463 /nfs/dbraw/zinc/37/34/63/136373463.db2.gz HPPXMLGVMLDJHV-CHWSQXEVSA-N 2 0 208.349 1.813 20 0 BDADRP CSCCC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602894653 349811730 /nfs/dbraw/zinc/81/17/30/349811730.db2.gz YQGHIYNAGCNBNQ-LBPRGKRZSA-N 2 0 246.420 1.128 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+]CCCC[NH3+])C1(C)C ZINC000082922852 343471183 /nfs/dbraw/zinc/47/11/83/343471183.db2.gz MHBHWGBPVJAHAE-MNOVXSKESA-N 2 0 214.353 1.519 20 0 BDADRP C[NH+]1CCC(NC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000044535164 343506302 /nfs/dbraw/zinc/50/63/02/343506302.db2.gz CPJLASQHADVAHK-LBPRGKRZSA-N 2 0 225.380 1.012 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000518770276 259365830 /nfs/dbraw/zinc/36/58/30/259365830.db2.gz OZUDMPIOVUDNLB-DOMZBBRYSA-N 3 0 247.386 1.766 20 0 BDADRP [NH3+][C@H]1CCN(CCOc2ccccc2)C1 ZINC000042896715 343780124 /nfs/dbraw/zinc/78/01/24/343780124.db2.gz HKNLMQQDCDPTGG-NSHDSACASA-N 2 0 206.289 1.098 20 0 BDADRP C[C@H]1C[C@H](N(C)Cc2cn[nH]c2)CC[N@@H+]1C ZINC000678278115 488235452 /nfs/dbraw/zinc/23/54/52/488235452.db2.gz MNVBDUNZXWAUAA-CMPLNLGQSA-N 2 0 222.336 1.324 20 0 BDADRP COC[C@@]12CCC[C@@H]1C[N@@H+](C1CC[NH2+]CC1)C2 ZINC000409435037 343835597 /nfs/dbraw/zinc/83/55/97/343835597.db2.gz SBWLFHSGMLGBCY-OCCSQVGLSA-N 2 0 238.375 1.487 20 0 BDADRP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)ccn1 ZINC000621775088 343898274 /nfs/dbraw/zinc/89/82/74/343898274.db2.gz FXCFZMPUZLEJBK-WCQYABFASA-N 2 0 219.332 1.559 20 0 BDADRP CCN(CC[NH3+])Cc1ccc2c(c1)CCC2 ZINC000070498295 343951624 /nfs/dbraw/zinc/95/16/24/343951624.db2.gz JBDJEPCLYDQWLJ-UHFFFAOYSA-N 2 0 218.344 1.956 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cccnc2)C1 ZINC000634732742 344107032 /nfs/dbraw/zinc/10/70/32/344107032.db2.gz NSBRWKYVZINTHI-ZDUSSCGKSA-N 2 0 233.359 1.949 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](N[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000634733970 344114513 /nfs/dbraw/zinc/11/45/13/344114513.db2.gz SXZHIOKGEWOLRI-XQQFMLRXSA-N 2 0 239.407 1.352 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](N[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000634733971 344114525 /nfs/dbraw/zinc/11/45/25/344114525.db2.gz SXZHIOKGEWOLRI-YNEHKIRRSA-N 2 0 239.407 1.352 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000634734162 344114565 /nfs/dbraw/zinc/11/45/65/344114565.db2.gz YJXMZVOKGVEAHX-QWHCGFSZSA-N 2 0 240.391 1.781 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000634734163 344114631 /nfs/dbraw/zinc/11/46/31/344114631.db2.gz YJXMZVOKGVEAHX-STQMWFEESA-N 2 0 240.391 1.781 20 0 BDADRP CC[NH+]1CCC([NH2+]Cc2ccn(C)c2)CC1 ZINC000085590936 344207210 /nfs/dbraw/zinc/20/72/10/344207210.db2.gz VRHJRBOOQLEZIW-UHFFFAOYSA-N 2 0 221.348 1.599 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCSC2)C1 ZINC000299969714 344213052 /nfs/dbraw/zinc/21/30/52/344213052.db2.gz RNEYXZANGSFHNR-UTLUCORTSA-N 2 0 200.351 1.351 20 0 BDADRP C[C@H](CN(C)C)[NH2+][C@H]1CCCOCC1 ZINC000130379961 344220801 /nfs/dbraw/zinc/22/08/01/344220801.db2.gz AFYQUXALMPJQBF-MNOVXSKESA-N 2 0 200.326 1.095 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC[C@H]1CC1(F)F ZINC000622043989 344227718 /nfs/dbraw/zinc/22/77/18/344227718.db2.gz RBJSWACWBAWGCF-NAKRPEOUSA-N 2 0 248.317 1.374 20 0 BDADRP C[NH2+]CCC1CCN(C[C@@H]([NH3+])CC(C)C)CC1 ZINC000414657886 529961422 /nfs/dbraw/zinc/96/14/22/529961422.db2.gz IGNGLBLLDBZDCO-AWEZNQCLSA-N 2 0 241.423 1.681 20 0 BDADRP CSCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000084216897 344255164 /nfs/dbraw/zinc/25/51/64/344255164.db2.gz OVBLCCPUNLJXQZ-NXEZZACHSA-N 2 0 202.367 1.457 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000133010235 344310413 /nfs/dbraw/zinc/31/04/13/344310413.db2.gz QUIFCHSLQQNYSH-OUAUKWLOSA-N 2 0 202.342 1.340 20 0 BDADRP COc1cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)ccn1 ZINC000093216016 344312765 /nfs/dbraw/zinc/31/27/65/344312765.db2.gz GNXVKLAXEHWFNB-NWDGAFQWSA-N 2 0 235.331 1.450 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000093214501 344312773 /nfs/dbraw/zinc/31/27/73/344312773.db2.gz GKOMTNLHHXOVDM-YNEHKIRRSA-N 2 0 237.391 1.330 20 0 BDADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1C[C@@H]2COC[C@@H]2C1 ZINC000634782641 344325726 /nfs/dbraw/zinc/32/57/26/344325726.db2.gz VLDKNVAYTMBMRQ-MJBXVCDLSA-N 2 0 238.375 1.439 20 0 BDADRP COC(=O)CCCC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000600709089 344360881 /nfs/dbraw/zinc/36/08/81/344360881.db2.gz ODXITQHHEAMVCL-ZDUSSCGKSA-N 2 0 240.347 1.015 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000132771504 344307116 /nfs/dbraw/zinc/30/71/16/344307116.db2.gz CUIOBNKJIFIBLB-KSSYENDESA-N 2 0 210.365 1.961 20 0 BDADRP c1nc(NCCC[NH2+]C2CC2)cc(NC2CC2)n1 ZINC000634812020 344396533 /nfs/dbraw/zinc/39/65/33/344396533.db2.gz XOPVDKVYQZDQRN-UHFFFAOYSA-N 2 0 247.346 1.605 20 0 BDADRP CCOCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000381211336 344485759 /nfs/dbraw/zinc/48/57/59/344485759.db2.gz DZCKFNRMGXMCKP-VXGBXAGGSA-N 2 0 228.380 1.909 20 0 BDADRP Cc1nc(CN2CCC[C@@H](C[NH3+])C2)cs1 ZINC000044527701 344541171 /nfs/dbraw/zinc/54/11/71/344541171.db2.gz QRPNXOPPQBHRDR-JTQLQIEISA-N 2 0 225.361 1.622 20 0 BDADRP Cn1ccnc1[C@@H]1CCN(c2ccncc2F)C1 ZINC000641464896 362434484 /nfs/dbraw/zinc/43/44/84/362434484.db2.gz WXHKLLMULYAOOK-SNVBAGLBSA-N 2 0 246.289 1.948 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@@H]1C[N@H+](C)C[C@H]1C ZINC000336778928 537852981 /nfs/dbraw/zinc/85/29/81/537852981.db2.gz MSBGPXVBTLHSSC-FRRDWIJNSA-N 2 0 227.396 1.256 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000083525771 133526788 /nfs/dbraw/zinc/52/67/88/133526788.db2.gz LCMICLSKRHQQCU-DGCLKSJQSA-N 2 0 226.364 1.615 20 0 BDADRP C[C@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CCS1 ZINC000158587724 344685633 /nfs/dbraw/zinc/68/56/33/344685633.db2.gz BGWUVXGADHHMKI-WDEREUQCSA-N 2 0 214.378 1.423 20 0 BDADRP C([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCCO1 ZINC000127726993 192075768 /nfs/dbraw/zinc/07/57/68/192075768.db2.gz LJVZVUQDZNIGEK-AVGNSLFASA-N 2 0 224.348 1.382 20 0 BDADRP CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)C1CC1 ZINC000127773875 192075789 /nfs/dbraw/zinc/07/57/89/192075789.db2.gz IGVAXLXZMSWORQ-OCCSQVGLSA-N 2 0 239.407 1.401 20 0 BDADRP C[N@H+]1CC=C(C[NH2+]C/C=C\c2ccncc2)CC1 ZINC000487568354 530047604 /nfs/dbraw/zinc/04/76/04/530047604.db2.gz COIHYTIZDRXAAF-IHWYPQMZSA-N 2 0 243.354 1.946 20 0 BDADRP Cc1cc(C[NH2+]CCCC[NH3+])ccc1F ZINC000050545536 344850377 /nfs/dbraw/zinc/85/03/77/344850377.db2.gz MJWWYXMDUXJISX-UHFFFAOYSA-N 2 0 210.296 1.963 20 0 BDADRP CCO[C@@H]1C[C@H]1[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000578497199 344887740 /nfs/dbraw/zinc/88/77/40/344887740.db2.gz BDIWJIAFXYDEGC-ZLKJLUDKSA-N 2 0 249.358 1.677 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@@H]2C[C@H](O)C2(C)C)CC1 ZINC000129222451 192079860 /nfs/dbraw/zinc/07/98/60/192079860.db2.gz SAMVTZULLWRYJN-OLZOCXBDSA-N 2 0 240.391 1.608 20 0 BDADRP CC(C)[N@@H+](C)C[C@@H](C)N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000353562958 192080695 /nfs/dbraw/zinc/08/06/95/192080695.db2.gz CVCSRHHNYLDSAL-HZSPNIEDSA-N 2 0 241.423 1.787 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]CCc2cn[nH]c2)CC1 ZINC000353627556 192080971 /nfs/dbraw/zinc/08/09/71/192080971.db2.gz LCKHGDXKHAXFTR-UHFFFAOYSA-N 2 0 236.363 1.415 20 0 BDADRP C[NH+]1CCC(C[NH2+]CC2(F)CC2)CC1 ZINC000308631502 323080768 /nfs/dbraw/zinc/08/07/68/323080768.db2.gz ZDCFUYKDVNXVLQ-UHFFFAOYSA-N 2 0 200.301 1.420 20 0 BDADRP CC[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)C1CC1 ZINC000155110533 345070520 /nfs/dbraw/zinc/07/05/20/345070520.db2.gz BTJKNZRYMSFFTJ-GXTWGEPZSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@H](Cn1ccnc1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156009746 345117293 /nfs/dbraw/zinc/11/72/93/345117293.db2.gz YKLGLHWILXGARU-MGPQQGTHSA-N 2 0 248.374 1.488 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@@](C)(C[NH3+])C2)O1 ZINC000235348028 537890686 /nfs/dbraw/zinc/89/06/86/537890686.db2.gz BEKQYVJLHIGCSH-UTUOFQBUSA-N 2 0 212.337 1.225 20 0 BDADRP CC(C)[C@H]1C[N@H+](C)CCN1CC12CC(C1)C[NH2+]2 ZINC000634993254 345189480 /nfs/dbraw/zinc/18/94/80/345189480.db2.gz ORYBSIXBBAJNDS-ROKHWSDSSA-N 2 0 237.391 1.010 20 0 BDADRP C(C1CC1)[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000156522877 345172015 /nfs/dbraw/zinc/17/20/15/345172015.db2.gz UOMGJVAUOMWZBN-ZDUSSCGKSA-N 2 0 224.348 1.051 20 0 BDADRP CC(C)[C@@H](C[NH3+])C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000634991050 345173932 /nfs/dbraw/zinc/17/39/32/345173932.db2.gz OAUXRWDJHLJLIW-AAEUAGOBSA-N 3 0 227.396 1.277 20 0 BDADRP C[NH2+]C[C@H]1CCCN(C[C@H](C[NH3+])C(C)C)C1 ZINC000634991045 345174220 /nfs/dbraw/zinc/17/42/20/345174220.db2.gz NXWSPEQWVHFPEK-OLZOCXBDSA-N 2 0 227.396 1.149 20 0 BDADRP C[C@@H]1CSCCN1CC12CC(C1)C[NH2+]2 ZINC000634993537 345190567 /nfs/dbraw/zinc/19/05/67/345190567.db2.gz XPEAFKGOZFFWGI-KPPDAEKUSA-N 2 0 212.362 1.176 20 0 BDADRP [NH3+][C@@H](CNCC12CC(C1)C[NH2+]2)c1ccccc1 ZINC000634994362 345181821 /nfs/dbraw/zinc/18/18/21/345181821.db2.gz AERUCYWFILNBAK-QRMWWUJWSA-N 2 0 231.343 1.028 20 0 BDADRP CC(C)[C@H](C[NH3+])CN[C@@H](CC[NH3+])C(F)(F)F ZINC000634995327 345184527 /nfs/dbraw/zinc/18/45/27/345184527.db2.gz AVLMPAWHLJQZFO-BDAKNGLRSA-N 2 0 241.301 1.087 20 0 BDADRP CC(C)[C@@H](C[NH3+])CN[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000634995885 345186158 /nfs/dbraw/zinc/18/61/58/345186158.db2.gz RTUXTBNTRHENRQ-STQMWFEESA-N 2 0 239.407 1.482 20 0 BDADRP CC(C)[C@H](C[NH3+])CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000634995965 345186260 /nfs/dbraw/zinc/18/62/60/345186260.db2.gz VBTGIQHKOPNEIT-WOPDTQHZSA-N 2 0 213.369 1.077 20 0 BDADRP Nc1ccc2c(c1)CC[C@H]2NCC12CC(C1)C[NH2+]2 ZINC000634996917 345186538 /nfs/dbraw/zinc/18/65/38/345186538.db2.gz YVVDDIBVJOKEDA-CIQACWJJSA-N 2 0 243.354 1.598 20 0 BDADRP CC(C)[C@@H](C[NH3+])CNCC1([NH3+])CCCC1 ZINC000634996173 345187306 /nfs/dbraw/zinc/18/73/06/345187306.db2.gz BPBXQWIFKISWLY-NSHDSACASA-N 2 0 213.369 1.078 20 0 BDADRP Cc1nccn1CC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156204235 345136276 /nfs/dbraw/zinc/13/62/76/345136276.db2.gz RBNTUYMZLJMOLR-YPMHNXCESA-N 2 0 236.363 1.264 20 0 BDADRP C(N1CC[C@@H](C2CC2)C1)C12CC(C1)C[NH2+]2 ZINC000634994113 345192723 /nfs/dbraw/zinc/19/27/23/345192723.db2.gz QUWRKWJOZOBUHJ-YXMLORGKSA-N 2 0 206.333 1.470 20 0 BDADRP COC1(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)CCCC1 ZINC000634998291 345198365 /nfs/dbraw/zinc/19/83/65/345198365.db2.gz CYQZLRRFPCUXBB-VXGBXAGGSA-N 2 0 226.364 1.472 20 0 BDADRP CCC[C@H](CCO)[NH2+]C1CCC(C[NH3+])CC1 ZINC000635003393 345206197 /nfs/dbraw/zinc/20/61/97/345206197.db2.gz JCBIITPTTJRDQM-OTTFEQOBSA-N 2 0 228.380 1.645 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccnn1C ZINC000635004587 345207819 /nfs/dbraw/zinc/20/78/19/345207819.db2.gz JGMAMAFDTHGWGE-IJLUTSLNSA-N 2 0 236.363 1.588 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635004736 345208447 /nfs/dbraw/zinc/20/84/47/345208447.db2.gz KFMRCFFLZILFBP-BJDJZHNGSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@H]1CCNC[C@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635005096 345209122 /nfs/dbraw/zinc/20/91/22/345209122.db2.gz MBSJGRGYVAYKSC-ZDEQEGDKSA-N 2 0 225.380 1.092 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CCOC1 ZINC000635006145 345210455 /nfs/dbraw/zinc/21/04/55/345210455.db2.gz LHIUXRMAALAZBD-FDYHWXHSSA-N 2 0 226.364 1.519 20 0 BDADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000635006569 345210651 /nfs/dbraw/zinc/21/06/51/345210651.db2.gz SFOYYGKWOBLZQC-ZDEQEGDKSA-N 3 0 225.380 1.363 20 0 BDADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000635006563 345210700 /nfs/dbraw/zinc/21/07/00/345210700.db2.gz SFOYYGKWOBLZQC-CYDGBPFRSA-N 3 0 225.380 1.363 20 0 BDADRP C[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)C1C[NH2+]C1 ZINC000635009624 345212045 /nfs/dbraw/zinc/21/20/45/345212045.db2.gz JHVMTKYVKKVUTC-NSHDSACASA-N 3 0 245.370 1.030 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)[C@H]1CCCO1 ZINC000635011250 345213004 /nfs/dbraw/zinc/21/30/04/345213004.db2.gz MXFICXDIPYOPJU-RWMBFGLXSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635012607 345214202 /nfs/dbraw/zinc/21/42/02/345214202.db2.gz UMZVBXAUEHFWPJ-OLZOCXBDSA-N 2 0 242.407 1.905 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H](C[NH3+])CC1 ZINC000635007819 345215099 /nfs/dbraw/zinc/21/50/99/345215099.db2.gz XYHMLTLJQPHBRA-CYDGBPFRSA-N 2 0 225.380 1.221 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000635013332 345217353 /nfs/dbraw/zinc/21/73/53/345217353.db2.gz RCGXRGUPDALABF-LXGUWJNJSA-N 2 0 210.243 1.653 20 0 BDADRP CC(C)[NH+]1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000675054279 537893967 /nfs/dbraw/zinc/89/39/67/537893967.db2.gz PITNSCGGAJVDAM-CQSZACIVSA-N 2 0 239.407 1.402 20 0 BDADRP COc1ccccc1[C@H]1CC[N@H+](CCC[NH3+])C1 ZINC000080581986 345311371 /nfs/dbraw/zinc/31/13/71/345311371.db2.gz WYVDWJWJSZZPOI-LBPRGKRZSA-N 2 0 234.343 1.833 20 0 BDADRP C[C@H]1COCCN1C1CC[NH+](CCCF)CC1 ZINC000562479025 345396929 /nfs/dbraw/zinc/39/69/29/345396929.db2.gz QJGNDFPTISZOGF-LBPRGKRZSA-N 2 0 244.354 1.531 20 0 BDADRP Cc1cnccc1CC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000090846763 345576667 /nfs/dbraw/zinc/57/66/67/345576667.db2.gz IHSABZUOUVPOPD-DZGCQCFKSA-N 2 0 247.386 1.862 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000226338987 535004889 /nfs/dbraw/zinc/00/48/89/535004889.db2.gz FWPKUXLHASIMMX-CHWSQXEVSA-N 2 0 227.396 1.434 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]Cc2ccncc2N)CN1C1CC1 ZINC000641732772 362652615 /nfs/dbraw/zinc/65/26/15/362652615.db2.gz BPGAMQFJSPOOKD-CMPLNLGQSA-N 2 0 246.358 1.379 20 0 BDADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2ccncc2)C1 ZINC000221395655 345747200 /nfs/dbraw/zinc/74/72/00/345747200.db2.gz INIAXXHPZFQVQB-STQMWFEESA-N 2 0 219.332 1.689 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[C@H](C)[NH3+] ZINC000248836730 345717989 /nfs/dbraw/zinc/71/79/89/345717989.db2.gz DFIAOTSRUDMDDJ-NWDGAFQWSA-N 2 0 241.379 1.104 20 0 BDADRP c1cc(CNC2CC[NH2+]CC2)c2c(c1)OCCO2 ZINC000148312716 345719020 /nfs/dbraw/zinc/71/90/20/345719020.db2.gz APANSVGGPYHJLI-UHFFFAOYSA-N 2 0 248.326 1.299 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000400761733 345782972 /nfs/dbraw/zinc/78/29/72/345782972.db2.gz YIBBXKNTLTTXIN-GXTWGEPZSA-N 3 0 239.407 1.448 20 0 BDADRP CC(C)[N@H+](C)CCN[C@@H]1CCC[NH2+]CC1 ZINC000168748059 535010853 /nfs/dbraw/zinc/01/08/53/535010853.db2.gz PFHUKGXSTJQILD-GFCCVEGCSA-N 2 0 213.369 1.058 20 0 BDADRP Cc1ccc(CC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000605575888 346024338 /nfs/dbraw/zinc/02/43/38/346024338.db2.gz ORTUTIKJBUVWCJ-GJZGRUSLSA-N 2 0 230.355 1.689 20 0 BDADRP FC1(C[NH2+]CCCC[NH+]2CCOCC2)CC1 ZINC000381484871 346034772 /nfs/dbraw/zinc/03/47/72/346034772.db2.gz HNMUMQINMGLYMU-UHFFFAOYSA-N 2 0 230.327 1.191 20 0 BDADRP CSC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000401020696 346034932 /nfs/dbraw/zinc/03/49/32/346034932.db2.gz KSEDRPAEFIKWFU-QJPTWQEYSA-N 2 0 240.416 1.860 20 0 BDADRP Cc1c[nH]c(CN2C[C@H](C)[N@@H+](C)C[C@H]2C)n1 ZINC000628240399 346202638 /nfs/dbraw/zinc/20/26/38/346202638.db2.gz CTIDPDCWUWKPPZ-WDEREUQCSA-N 2 0 222.336 1.243 20 0 BDADRP Cc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c(C)c1 ZINC000090320049 537956577 /nfs/dbraw/zinc/95/65/77/537956577.db2.gz KNBSTKBCAVUEEY-HUUCEWRRSA-N 2 0 230.355 1.955 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1NCC(C)(C)[NH+](C)C ZINC000152608815 346263723 /nfs/dbraw/zinc/26/37/23/346263723.db2.gz GGPOPSWOPDXTKN-RYUDHWBXSA-N 3 0 227.396 1.256 20 0 BDADRP c1n[nH]cc1CC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000641798269 362743555 /nfs/dbraw/zinc/74/35/55/362743555.db2.gz DHNPFTWLMXSXNR-UONOGXRCSA-N 2 0 248.374 1.416 20 0 BDADRP c1n[nH]cc1CC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000641798589 362744496 /nfs/dbraw/zinc/74/44/96/362744496.db2.gz JXHRPMVJFAUMLK-UONOGXRCSA-N 2 0 248.374 1.274 20 0 BDADRP CC[C@@H]1C[N@H+](CCc2cncn2C)CC[C@@H]1[NH3+] ZINC000641797616 362745240 /nfs/dbraw/zinc/74/52/40/362745240.db2.gz DLHCSSIWFIUFHZ-YPMHNXCESA-N 2 0 236.363 1.022 20 0 BDADRP Cn1cncc1CC[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000641799519 362748222 /nfs/dbraw/zinc/74/82/22/362748222.db2.gz QTDMCLWFQCTBTN-LBPRGKRZSA-N 2 0 236.363 1.023 20 0 BDADRP OC1(C[NH2+]C2CC[NH+](C3CCC3)CC2)CCC1 ZINC000580065104 346504878 /nfs/dbraw/zinc/50/48/78/346504878.db2.gz JHTMABJBHWUJQG-UHFFFAOYSA-N 2 0 238.375 1.508 20 0 BDADRP Cc1cncc(C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)c1 ZINC000641800963 362753076 /nfs/dbraw/zinc/75/30/76/362753076.db2.gz JUFURIHPPMWOBM-VXGBXAGGSA-N 2 0 219.332 1.605 20 0 BDADRP CCn1cc(CC[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)cn1 ZINC000641801318 362754958 /nfs/dbraw/zinc/75/49/58/362754958.db2.gz PQZVGLVRMRXJMZ-VXGBXAGGSA-N 2 0 236.363 1.161 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCCC1CC[NH2+]CC1 ZINC000641802004 362757593 /nfs/dbraw/zinc/75/75/93/362757593.db2.gz XNWSHNRESAULLC-OLZOCXBDSA-N 3 0 239.407 1.482 20 0 BDADRP CCCCNC(=O)CC[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641803008 362759639 /nfs/dbraw/zinc/75/96/39/362759639.db2.gz QWOFEEKPLVOOHY-GHMZBOCLSA-N 2 0 241.379 1.008 20 0 BDADRP CCCCNC(=O)CC[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641803011 362760471 /nfs/dbraw/zinc/76/04/71/362760471.db2.gz QWOFEEKPLVOOHY-WDEREUQCSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@@H]1CC[C@H](C[NH3+])N(C[C@@H]2CC[NH2+]C2)[C@H]1C ZINC000641809225 362764918 /nfs/dbraw/zinc/76/49/18/362764918.db2.gz PSTPSTQAIYXORJ-YVECIDJPSA-N 2 0 225.380 1.044 20 0 BDADRP CCCC[NH+]1CCC([NH2+]C[C@H](C)O)CC1 ZINC000563530755 323129278 /nfs/dbraw/zinc/12/92/78/323129278.db2.gz WVSYOJYOQPPPAM-NSHDSACASA-N 2 0 214.353 1.221 20 0 BDADRP CC[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000104949890 346546514 /nfs/dbraw/zinc/54/65/14/346546514.db2.gz AQNHIZZXFFESMF-KBPBESRZSA-N 2 0 239.407 1.497 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)C(C)C ZINC000381657757 346592086 /nfs/dbraw/zinc/59/20/86/346592086.db2.gz DBWYAQWWGZJMIG-QJPTWQEYSA-N 2 0 214.353 1.517 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](C)COC)C1 ZINC000187705681 346599637 /nfs/dbraw/zinc/59/96/37/346599637.db2.gz USMVYLLRWOPXOT-CHWSQXEVSA-N 2 0 228.380 1.590 20 0 BDADRP CC[NH+]1CCC(CC[NH2+]C[C@H](C)COC)CC1 ZINC000188043239 346708795 /nfs/dbraw/zinc/70/87/95/346708795.db2.gz LFUQQGLMGUCXCB-ZDUSSCGKSA-N 2 0 242.407 1.981 20 0 BDADRP CCN1CCC[C@@H]1C[NH2+][C@@H]1CS[C@H](C)C1 ZINC000250364787 362800981 /nfs/dbraw/zinc/80/09/81/362800981.db2.gz UPFNHIMQLBKCDW-GRYCIOLGSA-N 2 0 228.405 1.954 20 0 BDADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000631158552 347289494 /nfs/dbraw/zinc/28/94/94/347289494.db2.gz WMASFQPCJQSBPF-LBPRGKRZSA-N 2 0 249.358 1.609 20 0 BDADRP CCCCOCC[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000300820812 347261258 /nfs/dbraw/zinc/26/12/58/347261258.db2.gz IRMNLSSPKBJQRI-LBPRGKRZSA-N 2 0 228.380 1.781 20 0 BDADRP CCN1C[C@@H](C)[C@H]([NH2+][C@@H]2CCC[C@H]2OC)C1 ZINC000382321609 347277641 /nfs/dbraw/zinc/27/76/41/347277641.db2.gz UAUOGHUKPQHFJA-FDYHWXHSSA-N 2 0 226.364 1.484 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCS2)C1 ZINC000250682263 362817454 /nfs/dbraw/zinc/81/74/54/362817454.db2.gz YZFXFIXNIHVMIP-OUAUKWLOSA-N 2 0 214.378 1.742 20 0 BDADRP C[C@H]1CC[C@H](C[NH+]2CCC(C[NH3+])CC2)O1 ZINC000149749218 347508048 /nfs/dbraw/zinc/50/80/48/347508048.db2.gz KYBUKLZUQGFUCC-CMPLNLGQSA-N 2 0 212.337 1.225 20 0 BDADRP CCOC(=O)CC[C@H]1CCC[N@H+](CCC[NH3+])C1 ZINC000591272483 347636771 /nfs/dbraw/zinc/63/67/71/347636771.db2.gz UVPUANLOZQYZTQ-GFCCVEGCSA-N 2 0 242.363 1.391 20 0 BDADRP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cn1 ZINC000252904864 347692455 /nfs/dbraw/zinc/69/24/55/347692455.db2.gz QYMYTJKSHAVKLF-ZNMIVQPWSA-N 2 0 245.370 1.949 20 0 BDADRP CSC[C@H](O)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000591739514 347694791 /nfs/dbraw/zinc/69/47/91/347694791.db2.gz ABLYSPHEFSOOSE-ZYHUDNBSSA-N 2 0 246.420 1.030 20 0 BDADRP C[N@H+](CC1CC[NH2+]CC1)[C@H]1CCSC1 ZINC000037175252 348031151 /nfs/dbraw/zinc/03/11/51/348031151.db2.gz LNABJIUWTKAKHI-NSHDSACASA-N 2 0 214.378 1.423 20 0 BDADRP C[C@@H](C[NH2+][C@@H](C)CSCCF)C[NH+](C)C ZINC000595037767 348176567 /nfs/dbraw/zinc/17/65/67/348176567.db2.gz IAGLLJGKQGYGDH-QWRGUYRKSA-N 2 0 236.400 1.865 20 0 BDADRP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CCCC[NH+](C)C ZINC000594917223 348152658 /nfs/dbraw/zinc/15/26/58/348152658.db2.gz ICMMVHMFUFHMLA-QJPTWQEYSA-N 2 0 242.363 1.115 20 0 BDADRP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000594918380 348153354 /nfs/dbraw/zinc/15/33/54/348153354.db2.gz QSTGMFCHEWQPSO-IRCOFANPSA-N 2 0 242.363 1.114 20 0 BDADRP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000594918381 348153385 /nfs/dbraw/zinc/15/33/85/348153385.db2.gz QSTGMFCHEWQPSO-NNYUYHANSA-N 2 0 242.363 1.114 20 0 BDADRP [NH3+][C@H]1CCCN([C@H]2CCCSC2)C1 ZINC000251337832 362863661 /nfs/dbraw/zinc/86/36/61/362863661.db2.gz PTPCHCLMAWZAIG-UWVGGRQHSA-N 2 0 200.351 1.305 20 0 BDADRP CC[NH+](CC)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000669382520 538002144 /nfs/dbraw/zinc/00/21/44/538002144.db2.gz MDNSJJROFQFWNT-NWDGAFQWSA-N 2 0 212.337 1.097 20 0 BDADRP C[NH2+]CCN(C)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000070304864 349988378 /nfs/dbraw/zinc/98/83/78/349988378.db2.gz AVUCYBRVHIATGR-ZDUSSCGKSA-N 2 0 249.358 1.144 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@@H](O)C2)CC1(C)C ZINC000623505327 362928378 /nfs/dbraw/zinc/92/83/78/362928378.db2.gz YVUUJRUZDGYRDN-FRRDWIJNSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@@H]1CC[N@H+](CCc2cccnc2)C[C@H]1C[NH3+] ZINC000253192694 348446006 /nfs/dbraw/zinc/44/60/06/348446006.db2.gz NNVRMDKQDSEFFF-TZMCWYRMSA-N 2 0 233.359 1.541 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCO[C@@H](C)C2)CC1 ZINC000070360468 349995784 /nfs/dbraw/zinc/99/57/84/349995784.db2.gz IZGAVFVLJZYVEZ-GXTWGEPZSA-N 2 0 240.391 1.875 20 0 BDADRP CCOCCCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000388379701 349998297 /nfs/dbraw/zinc/99/82/97/349998297.db2.gz KKXHUTYZBHQHRC-RYUDHWBXSA-N 2 0 214.353 1.663 20 0 BDADRP CCSC1(C[NH2+][C@H]2CCC[C@H]2[NH3+])CC1 ZINC000596650441 348606178 /nfs/dbraw/zinc/60/61/78/348606178.db2.gz ISAFRGDSWCCUFN-ZJUUUORDSA-N 2 0 214.378 1.742 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC[C@H](O)C2)CC1(C)C ZINC000623505326 362929079 /nfs/dbraw/zinc/92/90/79/362929079.db2.gz YVUUJRUZDGYRDN-AVGNSLFASA-N 2 0 240.391 1.610 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CCC2CC(O)C2)CC1(C)C ZINC000623508062 362932505 /nfs/dbraw/zinc/93/25/05/362932505.db2.gz HSXNPWJEDTZNST-CPCZMJQVSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC2=CCOCC2)CC[N@@H+]1C ZINC000397894950 362934451 /nfs/dbraw/zinc/93/44/51/362934451.db2.gz UPUYEMUCQYYQCC-WCQYABFASA-N 2 0 224.348 1.405 20 0 BDADRP C[C@@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000054242671 348961261 /nfs/dbraw/zinc/96/12/61/348961261.db2.gz JNVCOPNYIUQQGU-STQMWFEESA-N 2 0 236.363 1.203 20 0 BDADRP COC[C@H](C)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000253110351 349224280 /nfs/dbraw/zinc/22/42/80/349224280.db2.gz GDFAZGAUGUMLHW-NEPJUHHUSA-N 2 0 214.353 1.472 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000252159223 349197020 /nfs/dbraw/zinc/19/70/20/349197020.db2.gz PPIFIUKUWLVFTM-RVMXOQNASA-N 2 0 228.380 1.872 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCCOC1 ZINC000530214982 323216788 /nfs/dbraw/zinc/21/67/88/323216788.db2.gz ZNTWYSUYSHDCSF-MELADBBJSA-N 2 0 240.391 1.910 20 0 BDADRP CC(C)[C@](C)(O)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000309016422 349304809 /nfs/dbraw/zinc/30/48/09/349304809.db2.gz ZRWJCDYEQPNFGU-QJPTWQEYSA-N 2 0 214.353 1.253 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCOC2)CC1 ZINC000070968757 350077018 /nfs/dbraw/zinc/07/70/18/350077018.db2.gz XMOAJZQHUACPDY-GFCCVEGCSA-N 2 0 212.337 1.097 20 0 BDADRP C[NH+](C)C[C@](C)(O)C[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000131493717 191012926 /nfs/dbraw/zinc/01/29/26/191012926.db2.gz UNPQROIXXOLDJX-TZMCWYRMSA-N 2 0 242.407 1.857 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H]2CCOC[C@H]2C)CC1 ZINC000302165464 350049194 /nfs/dbraw/zinc/04/91/94/350049194.db2.gz ZBJCGIBJCCGIPQ-OCCSQVGLSA-N 2 0 240.391 1.733 20 0 BDADRP CCc1nn(C)cc1C[NH+]1CCC(C[NH3+])CC1 ZINC000168858443 490303981 /nfs/dbraw/zinc/30/39/81/490303981.db2.gz RRQDZRCBACIBDS-UHFFFAOYSA-N 2 0 236.363 1.153 20 0 BDADRP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)[C@H]1CCOC1 ZINC000131885661 191017934 /nfs/dbraw/zinc/01/79/34/191017934.db2.gz DBSIATLKVPLMEP-RYUDHWBXSA-N 2 0 228.380 1.589 20 0 BDADRP CCC[NH+](CCC)CCCN[C@H](C)C1C[NH2+]C1 ZINC000422711241 192437027 /nfs/dbraw/zinc/43/70/27/192437027.db2.gz MLAHWICNIYITNG-CYBMUJFWSA-N 2 0 241.423 1.696 20 0 BDADRP C[C@@H](CO)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000219291845 350120276 /nfs/dbraw/zinc/12/02/76/350120276.db2.gz RYHYEUUPHVLTEB-RLAWYHOSSA-N 2 0 240.391 1.610 20 0 BDADRP CCOC[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000132431043 191032804 /nfs/dbraw/zinc/03/28/04/191032804.db2.gz UXYYVNBYVHVCQV-QWHCGFSZSA-N 2 0 228.380 1.733 20 0 BDADRP COCCC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422728114 192444438 /nfs/dbraw/zinc/44/44/38/192444438.db2.gz FCELTJWXGUMGNR-WDEREUQCSA-N 2 0 200.326 1.273 20 0 BDADRP C[NH+](C)C1CCN(CC[NH+]2CCCCC2)CC1 ZINC000132230224 191027871 /nfs/dbraw/zinc/02/78/71/191027871.db2.gz LAGRLGPBONYMLY-UHFFFAOYSA-N 2 0 239.407 1.498 20 0 BDADRP C[NH+](C)C[C@@H]1CCN(CC[NH+]2CCCCC2)C1 ZINC000132355657 191030159 /nfs/dbraw/zinc/03/01/59/191030159.db2.gz WPDOMOOYJQJYOX-AWEZNQCLSA-N 2 0 239.407 1.356 20 0 BDADRP C[C@@H](O)[C@H]1CC[N@H+](CCCc2cncn2C)C1 ZINC000315049207 350178626 /nfs/dbraw/zinc/17/86/26/350178626.db2.gz JCVOJFCKSPCCAO-NEPJUHHUSA-N 2 0 237.347 1.055 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)Nc1ccc(C[NH3+])cc1 ZINC000427310171 191058479 /nfs/dbraw/zinc/05/84/79/191058479.db2.gz XOXPRXMRESRXDL-LBPRGKRZSA-N 2 0 235.331 1.601 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000309610783 191063241 /nfs/dbraw/zinc/06/32/41/191063241.db2.gz MQHKJXGXACTOGV-FRRDWIJNSA-N 2 0 228.380 1.323 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[NH2+]C[C@H]1CCCCO1 ZINC000042825318 191067353 /nfs/dbraw/zinc/06/73/53/191067353.db2.gz DIHDZHMAPIINBX-VXGBXAGGSA-N 2 0 214.353 1.519 20 0 BDADRP CC[NH+]1CCC([NH2+]CC2(O)CCCC2)CC1 ZINC000083463959 350215314 /nfs/dbraw/zinc/21/53/14/350215314.db2.gz VJFZIMKMONVULQ-UHFFFAOYSA-N 2 0 226.364 1.365 20 0 BDADRP Cc1nccc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)n1 ZINC000292262876 180193817 /nfs/dbraw/zinc/19/38/17/180193817.db2.gz KXMYPBFWSPCJFS-CYBMUJFWSA-N 2 0 232.331 1.317 20 0 BDADRP CC[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C(C)(C)O ZINC000623534057 362952478 /nfs/dbraw/zinc/95/24/78/362952478.db2.gz VRMCXOWWFYSXEE-RYUDHWBXSA-N 2 0 242.407 1.998 20 0 BDADRP CC(C)[NH+](CCN[C@H](C)C[C@@H](C)[NH3+])C(C)C ZINC000422752441 192455080 /nfs/dbraw/zinc/45/50/80/192455080.db2.gz HAEJNFPSSCCXKU-CHWSQXEVSA-N 2 0 229.412 1.821 20 0 BDADRP CC(C)[NH+](CCN[C@@H](C)C[C@H](C)[NH3+])C(C)C ZINC000422752444 192455126 /nfs/dbraw/zinc/45/51/26/192455126.db2.gz HAEJNFPSSCCXKU-STQMWFEESA-N 2 0 229.412 1.821 20 0 BDADRP CCN(C)C[C@@H](O)C[N@H+](C)[C@H](C)CCSC ZINC000309292296 350256079 /nfs/dbraw/zinc/25/60/79/350256079.db2.gz WBXYJNZGBOGEJE-VXGBXAGGSA-N 2 0 248.436 1.372 20 0 BDADRP Cc1ncsc1CCN(C)[C@@H](C[NH3+])C1CC1 ZINC000126757483 180307469 /nfs/dbraw/zinc/30/74/69/180307469.db2.gz HOXBDWCPGWMLLQ-NSHDSACASA-N 2 0 239.388 1.663 20 0 BDADRP Cc1nn(C)c(C)c1C[NH2+][C@H](C)CCCC[NH3+] ZINC000336713197 180342018 /nfs/dbraw/zinc/34/20/18/180342018.db2.gz OHNHKPXBEYIUJT-SNVBAGLBSA-N 2 0 238.379 1.644 20 0 BDADRP CCOC1CC([NH2+]CCC[NH+]2CCCC2)C1 ZINC000162778134 350425811 /nfs/dbraw/zinc/42/58/11/350425811.db2.gz FTJCTLOEYQEJPY-UHFFFAOYSA-N 2 0 226.364 1.629 20 0 BDADRP Cc1nn(C)c(C)c1C[NH2+]C1CCC([NH3+])CC1 ZINC000051693140 180339683 /nfs/dbraw/zinc/33/96/83/180339683.db2.gz JBLNAWNPTDQLAE-UHFFFAOYSA-N 2 0 236.363 1.396 20 0 BDADRP Cc1nn(C)cc1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000128252736 180372040 /nfs/dbraw/zinc/37/20/40/180372040.db2.gz YAQBAPFFTLXIGO-SNVBAGLBSA-N 2 0 236.363 1.288 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)[C@@H](C)O ZINC000623540339 362958736 /nfs/dbraw/zinc/95/87/36/362958736.db2.gz VPZFCKKVMNPYCW-UTUOFQBUSA-N 2 0 228.380 1.608 20 0 BDADRP COCCN1CCC[C@H]1C[NH2+][C@@H](C)C1(C)CC1 ZINC000163419308 350520905 /nfs/dbraw/zinc/52/09/05/350520905.db2.gz CBJZNMHINYDZME-STQMWFEESA-N 2 0 240.391 1.875 20 0 BDADRP COCC[C@H](C)[NH2+]CCN1CCCC[C@@H]1C ZINC000156643150 191116489 /nfs/dbraw/zinc/11/64/89/191116489.db2.gz DBOSRKBDUWCJTJ-STQMWFEESA-N 2 0 228.380 1.875 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1C[C@H]1C)C1CC[NH+](C)CC1 ZINC000252710322 538099511 /nfs/dbraw/zinc/09/95/11/538099511.db2.gz GIHUYNOZHIRVOZ-WZRBSPASSA-N 2 0 210.365 1.962 20 0 BDADRP CC[NH+](CC)CCNC1CC[NH+](C(C)C)CC1 ZINC000019919193 350851957 /nfs/dbraw/zinc/85/19/57/350851957.db2.gz VVQLLNXAHLWKNM-UHFFFAOYSA-N 2 0 241.423 1.791 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@H]2CC[C@@H](C)O2)C1 ZINC000251925669 362987361 /nfs/dbraw/zinc/98/73/61/362987361.db2.gz UXPSDSKJQIYQHK-MROQNXINSA-N 2 0 226.364 1.613 20 0 BDADRP [NH3+]CCN1CC[NH2+]C[C@@H]1c1ccc(Cl)cc1 ZINC000616636164 351123828 /nfs/dbraw/zinc/12/38/28/351123828.db2.gz LGTOWNYKTKHCDD-GFCCVEGCSA-N 2 0 239.750 1.245 20 0 BDADRP CC[NH2+]CCNC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000571639843 351166366 /nfs/dbraw/zinc/16/63/66/351166366.db2.gz KINDWLQZZOLFGZ-JTQLQIEISA-N 2 0 235.331 1.046 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000252715953 535159799 /nfs/dbraw/zinc/15/97/99/535159799.db2.gz XEOFSBYGMBMROK-WUHRBBMRSA-N 2 0 228.380 1.322 20 0 BDADRP CCC1CC[NH+](C[C@@](C)(O)C[NH2+]C)CC1 ZINC000571648455 351388738 /nfs/dbraw/zinc/38/87/38/351388738.db2.gz QUHXTOQKMMKAJG-LBPRGKRZSA-N 2 0 214.353 1.079 20 0 BDADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCC([NH3+])(CC)CC ZINC000353166050 351347093 /nfs/dbraw/zinc/34/70/93/351347093.db2.gz IUNVELXCHSIGOT-WDEREUQCSA-N 2 0 241.379 1.008 20 0 BDADRP CC[C@@H]([NH3+])C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000572517196 363058089 /nfs/dbraw/zinc/05/80/89/363058089.db2.gz FQMTYTKTCGXEMK-GRYCIOLGSA-N 2 0 241.379 1.103 20 0 BDADRP [NH3+]Cc1cccc(NC(=O)CCC2C[NH2+]C2)c1 ZINC000637802252 351634237 /nfs/dbraw/zinc/63/42/37/351634237.db2.gz SVOGYMRGSAZFBI-UHFFFAOYSA-N 2 0 233.315 1.083 20 0 BDADRP CC[NH2+][C@H](C)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000637859976 351721359 /nfs/dbraw/zinc/72/13/59/351721359.db2.gz JBZDMCJTGXKTAJ-GHMZBOCLSA-N 2 0 249.358 1.321 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000637867628 351731421 /nfs/dbraw/zinc/73/14/21/351731421.db2.gz VXDIOWQJQYZHGA-NEPJUHHUSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@H]([NH3+])CC(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000637855751 351715661 /nfs/dbraw/zinc/71/56/61/351715661.db2.gz DUJSAAIJQNGRDU-IUCAKERBSA-N 2 0 221.304 1.382 20 0 BDADRP C[NH+](C)CC1CC[NH+](CCC[C@H]2CCO2)CC1 ZINC000637907029 351777089 /nfs/dbraw/zinc/77/70/89/351777089.db2.gz FXNMZNBIDMHYNI-AWEZNQCLSA-N 2 0 240.391 1.829 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000577839678 366078906 /nfs/dbraw/zinc/07/89/06/366078906.db2.gz GPZASPUGJLPZPT-STQMWFEESA-N 3 0 225.380 1.236 20 0 BDADRP CC(C)C[C@H]([NH3+])CNCC1([NH3+])CCCCC1 ZINC000414846468 351848563 /nfs/dbraw/zinc/84/85/63/351848563.db2.gz SNEUAGWJHHZDQD-LBPRGKRZSA-N 3 0 227.396 1.611 20 0 BDADRP CC[NH2+][C@H](C)C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000638058415 351934315 /nfs/dbraw/zinc/93/43/15/351934315.db2.gz BPDAEMLXLVKEHK-VXGBXAGGSA-N 2 0 243.395 1.077 20 0 BDADRP [NH3+]C[C@@H](N[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000414854744 351906070 /nfs/dbraw/zinc/90/60/70/351906070.db2.gz VJBHTNWMGASQNG-CHWSQXEVSA-N 2 0 225.380 1.236 20 0 BDADRP CCC[NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC000638145710 352008321 /nfs/dbraw/zinc/00/83/21/352008321.db2.gz KYWFQNZOUZBILC-UHFFFAOYSA-N 2 0 243.395 1.080 20 0 BDADRP CC[C@H](C)[C@@H](C[N@@H+]1CC[C@H](C[NH+](C)C)C1)OC ZINC000638076822 351950020 /nfs/dbraw/zinc/95/00/20/351950020.db2.gz NHNCPKPZFAGDDP-BFHYXJOUSA-N 2 0 242.407 1.931 20 0 BDADRP C[NH+](C)C[C@H]1CC[N@H+](CCC[C@H]2CCO2)C1 ZINC000638077937 351951186 /nfs/dbraw/zinc/95/11/86/351951186.db2.gz YORPZGQNJUCWHN-OLZOCXBDSA-N 2 0 226.364 1.439 20 0 BDADRP CC[C@](C)(C[N@@H+]1CC[C@@H](C[NH+](C)C)C1)OC ZINC000638077619 351951292 /nfs/dbraw/zinc/95/12/92/351951292.db2.gz VTFWXGXZSBTGTF-QWHCGFSZSA-N 2 0 228.380 1.685 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCC[C@@H]2CCO2)C1 ZINC000638131753 352001598 /nfs/dbraw/zinc/00/15/98/352001598.db2.gz DRBJMQCOCROVAD-UONOGXRCSA-N 2 0 240.391 1.829 20 0 BDADRP CO[C@H](C[NH2+]CCC[NH+](C)C)C1CCCC1 ZINC000638290409 352126077 /nfs/dbraw/zinc/12/60/77/352126077.db2.gz SGUQQWMEWPZPFG-CYBMUJFWSA-N 2 0 228.380 1.733 20 0 BDADRP CC[NH2+][C@H](C)C(=O)N(CC[NH+](C)C)CC(C)C ZINC000638273222 352110919 /nfs/dbraw/zinc/11/09/19/352110919.db2.gz ZPWZAWVONVTEOM-GFCCVEGCSA-N 2 0 243.395 1.031 20 0 BDADRP CO[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)C(C)C ZINC000422801677 192473203 /nfs/dbraw/zinc/47/32/03/192473203.db2.gz CKOOGIZKIFVGNU-BPCQOVAHSA-N 2 0 228.380 1.765 20 0 BDADRP C(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C[C@H]1CCO1 ZINC000638378475 352189343 /nfs/dbraw/zinc/18/93/43/352189343.db2.gz XEQWBVJKCGJDGG-RDBSUJKOSA-N 2 0 238.375 1.772 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+]C2CC(n3cccn3)C2)C1 ZINC000638381343 352193104 /nfs/dbraw/zinc/19/31/04/352193104.db2.gz KIVSWSOQXXBNDO-HSBZDZAISA-N 2 0 248.374 1.518 20 0 BDADRP C[C@H](C[NH2+]CCC[C@H]1CCO1)C[NH+]1CCCC1 ZINC000638385333 352195789 /nfs/dbraw/zinc/19/57/89/352195789.db2.gz HWQWVWIJOGZFOP-KGLIPLIRSA-N 2 0 240.391 1.877 20 0 BDADRP C(C1CC[NH2+]CC1)[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000133343637 187627201 /nfs/dbraw/zinc/62/72/01/187627201.db2.gz CUXSZLVWYWSAMC-STQMWFEESA-N 2 0 208.349 1.718 20 0 BDADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](OC)C2CC2)C1 ZINC000638410247 352217421 /nfs/dbraw/zinc/21/74/21/352217421.db2.gz YIISTLAGQIPXGI-GXTWGEPZSA-N 2 0 240.391 1.733 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+]CCC[C@@H]2CCO2)C1 ZINC000638409442 352218421 /nfs/dbraw/zinc/21/84/21/352218421.db2.gz MHDKIBGIAZPOLH-ZIAGYGMSSA-N 2 0 240.391 1.877 20 0 BDADRP CC(C)(C)C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638418535 352228142 /nfs/dbraw/zinc/22/81/42/352228142.db2.gz BDDFRZKOGBWUIB-UHFFFAOYSA-N 2 0 242.407 1.857 20 0 BDADRP C[NH+](C)CCCC[NH2+]CCC[C@H]1CCO1 ZINC000638450498 352261453 /nfs/dbraw/zinc/26/14/53/352261453.db2.gz DQTPBOSWFWYFBV-LBPRGKRZSA-N 2 0 214.353 1.487 20 0 BDADRP C[C@H]1CN(Cc2ccncc2Cl)C[C@H]1C[NH3+] ZINC000630076883 363173350 /nfs/dbraw/zinc/17/33/50/363173350.db2.gz LMZDGLHJIDHRME-GXSJLCMTSA-N 2 0 239.750 1.762 20 0 BDADRP Cc1ccc(O)c(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000415003824 352479310 /nfs/dbraw/zinc/47/93/10/352479310.db2.gz XPBBMBMEHXREOJ-NWDGAFQWSA-N 2 0 249.358 1.703 20 0 BDADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@@H]1CC1(F)F ZINC000638681584 352518964 /nfs/dbraw/zinc/51/89/64/352518964.db2.gz KSCAPXRJJSZAMC-ZJUUUORDSA-N 2 0 248.317 1.076 20 0 BDADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@H]1CC1(F)F ZINC000638681582 352519155 /nfs/dbraw/zinc/51/91/55/352519155.db2.gz KSCAPXRJJSZAMC-VHSXEESVSA-N 2 0 248.317 1.076 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)C(C)(C)[NH3+] ZINC000040920174 352600320 /nfs/dbraw/zinc/60/03/20/352600320.db2.gz ZYTKMKNLLDYHTH-LLVKDONJSA-N 2 0 243.395 1.350 20 0 BDADRP CC(C)(C)[C@H](CCO)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000300403433 352562704 /nfs/dbraw/zinc/56/27/04/352562704.db2.gz ZLYQDKGDMLIYBG-SRVKXCTJSA-N 2 0 228.380 1.643 20 0 BDADRP CC[NH+](CC)CCC[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412041836 191250605 /nfs/dbraw/zinc/25/06/05/191250605.db2.gz SIQVKLFOPMJSFY-QWHCGFSZSA-N 2 0 228.380 1.421 20 0 BDADRP C[C@@]1(CN2CCC[C@]3(CC[NH2+]C3)C2)CC[NH2+]C1 ZINC000334255685 352865841 /nfs/dbraw/zinc/86/58/41/352865841.db2.gz YUSKMRWPSQJWAB-ZIAGYGMSSA-N 3 0 237.391 1.062 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000638938934 353121277 /nfs/dbraw/zinc/12/12/77/353121277.db2.gz ZFSRTLKYYSODQA-RTXFEEFZSA-N 2 0 247.342 1.025 20 0 BDADRP CCCC[C@@H]([NH3+])C(=O)NCC(C)(C)C[NH+](C)C ZINC000037619101 358474986 /nfs/dbraw/zinc/47/49/86/358474986.db2.gz OUVGUSLMBSTMAA-LLVKDONJSA-N 2 0 243.395 1.208 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638968022 353175784 /nfs/dbraw/zinc/17/57/84/353175784.db2.gz NVMMFNMHHNWTQU-IJLUTSLNSA-N 2 0 241.379 1.008 20 0 BDADRP CC(C)C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638987682 353219393 /nfs/dbraw/zinc/21/93/93/353219393.db2.gz WIRSCTUVNZYDGU-UHFFFAOYSA-N 2 0 248.330 1.086 20 0 BDADRP CC(C)([NH3+])C[NH2+]CCc1ccc(F)cc1 ZINC000258819348 535209516 /nfs/dbraw/zinc/20/95/16/535209516.db2.gz LKIQMETXGGOBRU-UHFFFAOYSA-N 2 0 210.296 1.695 20 0 BDADRP CCCC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638987702 353219418 /nfs/dbraw/zinc/21/94/18/353219418.db2.gz WSPSYYPCXKMYIR-UHFFFAOYSA-N 2 0 248.330 1.230 20 0 BDADRP C[C@]1(C[NH3+])CCN(Cc2ccccc2C#N)C1 ZINC000383469406 353246588 /nfs/dbraw/zinc/24/65/88/353246588.db2.gz PEMMAGXXOQQFEM-CQSZACIVSA-N 2 0 229.327 1.729 20 0 BDADRP [NH3+][C@@H](C(=O)N[C@@H]1CC[C@@H]([NH3+])CC1)c1ccccc1 ZINC000639021222 353279333 /nfs/dbraw/zinc/27/93/33/353279333.db2.gz FHLJINQAQXBVRF-JHJVBQTASA-N 2 0 247.342 1.073 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000250452022 353272201 /nfs/dbraw/zinc/27/22/01/353272201.db2.gz ZQMLHPWTJQVSAR-MCIONIFRSA-N 2 0 239.407 1.578 20 0 BDADRP CC(C)[N@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1CCOC1 ZINC000361414749 188244449 /nfs/dbraw/zinc/24/44/49/188244449.db2.gz LPXFHXUHBTXAAZ-ZIAGYGMSSA-N 2 0 240.391 1.970 20 0 BDADRP CC(C)[C@H]([NH3+])C(=O)NCC1([NH3+])CCCCCC1 ZINC000370713430 188247527 /nfs/dbraw/zinc/24/75/27/188247527.db2.gz PECSYPZHBJECTM-NSHDSACASA-N 2 0 241.379 1.138 20 0 BDADRP CC(C)(CCO)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300408662 188248603 /nfs/dbraw/zinc/24/86/03/188248603.db2.gz GRIQLGRTLQTMKY-STQMWFEESA-N 2 0 240.391 1.611 20 0 BDADRP CC(C)C[C@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000304332849 188250800 /nfs/dbraw/zinc/25/08/00/188250800.db2.gz AOPRFQYVZWRUCF-ZDUSSCGKSA-N 2 0 227.396 1.306 20 0 BDADRP C(CN1C[C@H]2CCC[C@@H](C1)[NH2+]2)C1CC[NH2+]CC1 ZINC000334991660 188335523 /nfs/dbraw/zinc/33/55/23/188335523.db2.gz LWZUPGVMASRBRM-OKILXGFUSA-N 2 0 237.391 1.202 20 0 BDADRP CC(C)C[C@H](CO)[NH2+][C@@H](C)CCC[NH3+] ZINC000336684396 188341807 /nfs/dbraw/zinc/34/18/07/188341807.db2.gz JYGITHGGRRJHHR-WDEREUQCSA-N 2 0 202.342 1.110 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000336685125 188341865 /nfs/dbraw/zinc/34/18/65/188341865.db2.gz KKAZYEOPQVLSNQ-WDEREUQCSA-N 2 0 202.342 1.110 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(CO)CCC1 ZINC000336781018 188354276 /nfs/dbraw/zinc/35/42/76/188354276.db2.gz SZLIKELGLHQLOS-RYUDHWBXSA-N 2 0 226.364 1.079 20 0 BDADRP CC(C)[C@H](O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000336690390 188359327 /nfs/dbraw/zinc/35/93/27/188359327.db2.gz GVEWLKOMCVWWNN-UONOGXRCSA-N 2 0 242.407 1.810 20 0 BDADRP CC[NH+](CC)CCCCNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000192096750 353541961 /nfs/dbraw/zinc/54/19/61/353541961.db2.gz QOJVSDNWNITTEI-NEPJUHHUSA-N 2 0 243.395 1.208 20 0 BDADRP C[NH+](C)C[C@H]1CCN(CCOCC2CC2)C1 ZINC000119996688 353691167 /nfs/dbraw/zinc/69/11/67/353691167.db2.gz JUSIIVSPKBVNDH-CYBMUJFWSA-N 2 0 226.364 1.297 20 0 BDADRP CC(C)([NH2+]CC[C@@H]1CC[NH2+]C1)c1nccs1 ZINC000232559549 353732988 /nfs/dbraw/zinc/73/29/88/353732988.db2.gz NDNJXVKZXKTWCA-JTQLQIEISA-N 2 0 239.388 1.967 20 0 BDADRP C[NH2+]CCCC(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000178198078 366104231 /nfs/dbraw/zinc/10/42/31/366104231.db2.gz DZIRWXZEMMJUFD-SNVBAGLBSA-N 2 0 235.331 1.644 20 0 BDADRP CC(C)(C)[NH+]1CCC(NC[C@H]2CCC[NH2+]2)CC1 ZINC000232494468 353727764 /nfs/dbraw/zinc/72/77/64/353727764.db2.gz KVRFYHZUIAULHZ-CYBMUJFWSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+]C[C@@]2(C)CC[NH2+]C2)O1 ZINC000398093006 324216889 /nfs/dbraw/zinc/21/68/89/324216889.db2.gz STEAIXBAGZVLQO-WOPDTQHZSA-N 2 0 212.337 1.143 20 0 BDADRP CO[C@@](C)(C[NH2+]C[C@H]1CCC[N@H+](C)C1)C1CC1 ZINC000393861536 353970363 /nfs/dbraw/zinc/97/03/63/353970363.db2.gz IPMZUTZLBWHWPK-OCCSQVGLSA-N 2 0 240.391 1.733 20 0 BDADRP CC[N@H+](CCN[C@H]1C[NH+](CC)C[C@@H]1C)C1CC1 ZINC000343916038 354040496 /nfs/dbraw/zinc/04/04/96/354040496.db2.gz PIOGHSZVLSSONU-JSGCOSHPSA-N 2 0 239.407 1.401 20 0 BDADRP CC[C@H](F)C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344032823 354095649 /nfs/dbraw/zinc/09/56/49/354095649.db2.gz DSOCJRSBVPYRQR-ZDUSSCGKSA-N 2 0 247.402 1.550 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000449665135 201997608 /nfs/dbraw/zinc/99/76/08/201997608.db2.gz MQNUOZFQLYYJNY-AWEZNQCLSA-N 2 0 247.342 1.746 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CC[C@H](CO)C[C@H]1C ZINC000344128111 354146064 /nfs/dbraw/zinc/14/60/64/354146064.db2.gz IEVIGWYNBSKZIE-KGLIPLIRSA-N 2 0 242.407 1.811 20 0 BDADRP C[C@H]1CN(C)C[C@H]1[NH2+]CCC1CC[NH+](C)CC1 ZINC000344189410 354178934 /nfs/dbraw/zinc/17/89/34/354178934.db2.gz NCFMJVONSIRTNE-GXTWGEPZSA-N 2 0 239.407 1.258 20 0 BDADRP C[C@@H]1C[C@@H](CN2CCC3(CC[NH2+]3)CC2)CC[NH2+]1 ZINC000334587518 354212772 /nfs/dbraw/zinc/21/27/72/354212772.db2.gz OOWDWBMNLXIKGO-OLZOCXBDSA-N 2 0 237.391 1.202 20 0 BDADRP CCCC[N@H+](C)CCN[C@@H]1C[NH+](CC)C[C@@H]1C ZINC000344411685 354251965 /nfs/dbraw/zinc/25/19/65/354251965.db2.gz RIEIFJWDFMXIOF-UONOGXRCSA-N 2 0 241.423 1.648 20 0 BDADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccon3)C2)CC1 ZINC000639177963 354252454 /nfs/dbraw/zinc/25/24/54/354252454.db2.gz XYGLKDSNRHGFPB-ZDUSSCGKSA-N 2 0 249.358 1.838 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2=CCCOC2)[C@H](C)C1 ZINC000344511179 354291553 /nfs/dbraw/zinc/29/15/53/354291553.db2.gz IINBRCMIBPJHGX-TZMCWYRMSA-N 2 0 238.375 1.653 20 0 BDADRP CC(C)CC[C@](C)(O)C[NH2+][C@H]1CN(C)C[C@H]1C ZINC000344435291 354272382 /nfs/dbraw/zinc/27/23/82/354272382.db2.gz CSKYMYVMPOQEPU-RDBSUJKOSA-N 2 0 242.407 1.713 20 0 BDADRP Cc1ncc(CNCc2nccs2)n1C ZINC000578027303 366192934 /nfs/dbraw/zinc/19/29/34/366192934.db2.gz WIJZTKWKSXJJFD-UHFFFAOYSA-N 2 0 222.317 1.475 20 0 BDADRP C[NH+](C)C1CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000334707690 354501978 /nfs/dbraw/zinc/50/19/78/354501978.db2.gz GVOXQLYFFPKJTG-NSHDSACASA-N 2 0 228.405 1.766 20 0 BDADRP CC(C)COCC[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000232660624 363378299 /nfs/dbraw/zinc/37/82/99/363378299.db2.gz VPKADOPRQYSFJP-LBPRGKRZSA-N 2 0 214.353 1.330 20 0 BDADRP CC(C)COCC[N@H+](C)C1CC[NH2+]CC1 ZINC000232634901 363378888 /nfs/dbraw/zinc/37/88/88/363378888.db2.gz CQMWRSRSAKMKSV-UHFFFAOYSA-N 2 0 214.353 1.343 20 0 BDADRP CC[C@@H](CO)[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000345877750 354794237 /nfs/dbraw/zinc/79/42/37/354794237.db2.gz CLHHKVVWQBJSEA-NWDGAFQWSA-N 2 0 214.353 1.173 20 0 BDADRP CCC[C@@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000233279889 363398812 /nfs/dbraw/zinc/39/88/12/363398812.db2.gz CUTZDQUDDFRVDX-GFCCVEGCSA-N 2 0 213.369 1.060 20 0 BDADRP COCCC1CC[NH+]([C@@H](C)CCC[NH3+])CC1 ZINC000530207297 324523199 /nfs/dbraw/zinc/52/31/99/324523199.db2.gz CYSLTJOWGOQGQM-LBPRGKRZSA-N 2 0 228.380 1.862 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CC1(C)C ZINC000234791688 363431791 /nfs/dbraw/zinc/43/17/91/363431791.db2.gz HZTQLRHXMYWUFV-MNOVXSKESA-N 2 0 214.353 1.376 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CCCO2)C1 ZINC000346460652 354964886 /nfs/dbraw/zinc/96/48/86/354964886.db2.gz MXUZTBUEHZZEAW-MJBXVCDLSA-N 2 0 240.391 1.875 20 0 BDADRP CCOc1cccc(C[NH+]2CCC(C[NH3+])CC2)n1 ZINC000346688755 355014115 /nfs/dbraw/zinc/01/41/15/355014115.db2.gz OHAGXZRUHBGDII-UHFFFAOYSA-N 2 0 249.358 1.651 20 0 BDADRP C[N@H+](Cc1cccc2c[nH]nc21)CC(C)(C)C[NH3+] ZINC000346647127 355017846 /nfs/dbraw/zinc/01/78/46/355017846.db2.gz FTEVNDLJWUTOKF-UHFFFAOYSA-N 2 0 246.358 1.980 20 0 BDADRP C[N@H+]1C[C@H]2CN(C/C=C/c3ccncc3)C[C@H]2C1 ZINC000335192160 355025212 /nfs/dbraw/zinc/02/52/12/355025212.db2.gz JGEYJMHDJSMKJV-WNUVYJMLSA-N 2 0 243.354 1.588 20 0 BDADRP C[C@H]([NH2+][C@H]1CCc2ccccc2C1)C1C[NH2+]C1 ZINC000335220892 355061078 /nfs/dbraw/zinc/06/10/78/355061078.db2.gz VUOQNMODXBCXKN-NHYWBVRUSA-N 2 0 230.355 1.741 20 0 BDADRP Cc1nc2c(c(NCCCC[NH3+])n1)CCCC2 ZINC000420230584 192180743 /nfs/dbraw/zinc/18/07/43/192180743.db2.gz IXZVDQSZJMLUSI-UHFFFAOYSA-N 2 0 234.347 1.237 20 0 BDADRP CCc1cc(N2CC[N@H+](C)C[C@@H]2C)cc[nH+]1 ZINC000335233203 355093934 /nfs/dbraw/zinc/09/39/34/355093934.db2.gz ODHNGPVFOGPQAT-NSHDSACASA-N 2 0 219.332 1.784 20 0 BDADRP CC(C)C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000335238104 355099994 /nfs/dbraw/zinc/09/99/94/355099994.db2.gz KWCATERVZVYMMO-ZIAGYGMSSA-N 2 0 240.391 1.861 20 0 BDADRP C[C@@H]1C[C@H](C[NH+]2CCC(CO)CC2)CC[NH2+]1 ZINC000335247169 355162310 /nfs/dbraw/zinc/16/23/10/355162310.db2.gz FNVOXLKNXWQIMP-DGCLKSJQSA-N 2 0 226.364 1.079 20 0 BDADRP CCOC[C@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346971032 355207415 /nfs/dbraw/zinc/20/74/15/355207415.db2.gz GUNLGCTXJYUUOD-KGLIPLIRSA-N 2 0 240.391 1.735 20 0 BDADRP C[N@H+](C[C@H]1CCC[NH2+]C1)[C@@H](CO)C(C)(C)C ZINC000346988384 355188443 /nfs/dbraw/zinc/18/84/43/355188443.db2.gz QYAJIJBNVNZJQB-RYUDHWBXSA-N 2 0 228.380 1.325 20 0 BDADRP C[N@H+](C[C@H]1CCC[NH2+]C1)[C@H](CO)C(C)(C)C ZINC000346988382 355188521 /nfs/dbraw/zinc/18/85/21/355188521.db2.gz QYAJIJBNVNZJQB-NWDGAFQWSA-N 2 0 228.380 1.325 20 0 BDADRP CCC1(CO)CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000346996345 355194969 /nfs/dbraw/zinc/19/49/69/355194969.db2.gz WLYCNCRMJCRBAZ-ZDUSSCGKSA-N 2 0 240.391 1.471 20 0 BDADRP C[C@H]1COCCN1CCSCC[NH+](C)C ZINC000413003280 191337016 /nfs/dbraw/zinc/33/70/16/191337016.db2.gz WIZGKKIWLQKBLF-NSHDSACASA-N 2 0 232.393 1.002 20 0 BDADRP C[C@H]([NH3+])C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000347612627 355235614 /nfs/dbraw/zinc/23/56/14/355235614.db2.gz NCCPUFZMEQEGNL-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP C[C@@H]1COCCN1CCSCC[NH+](C)C ZINC000413003279 191337443 /nfs/dbraw/zinc/33/74/43/191337443.db2.gz WIZGKKIWLQKBLF-LLVKDONJSA-N 2 0 232.393 1.002 20 0 BDADRP CC[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)OC ZINC000412979010 191347855 /nfs/dbraw/zinc/34/78/55/191347855.db2.gz RQWOEEVTSFSGCO-ZIAGYGMSSA-N 2 0 240.391 1.829 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC000113513537 355249933 /nfs/dbraw/zinc/24/99/33/355249933.db2.gz XOXCIWOJUOTIRE-ZDUSSCGKSA-N 2 0 226.364 1.297 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CCCC[C@@H]1C[NH3+] ZINC000414659086 191543036 /nfs/dbraw/zinc/54/30/36/191543036.db2.gz RRVQEEVLPRFMPB-VXGBXAGGSA-N 2 0 213.369 1.173 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCN(C)CC[C@@H]2C)CC[NH2+]1 ZINC000414693250 191547672 /nfs/dbraw/zinc/54/76/72/191547672.db2.gz MKAIWLDIYXCABY-HZSPNIEDSA-N 2 0 239.407 1.401 20 0 BDADRP c1ccc2c(c1)C[NH2+]CCN2C[C@H]1CCC[NH2+]C1 ZINC000335801420 355494597 /nfs/dbraw/zinc/49/45/97/355494597.db2.gz ZATIHYPIMDJKFD-ZDUSSCGKSA-N 2 0 245.370 1.596 20 0 BDADRP C[C@@H]1C[C@H](O)C[N@@H+]1CCC[NH+]1CCCCC1 ZINC000349854381 355496041 /nfs/dbraw/zinc/49/60/41/355496041.db2.gz OHMVNXVPRILKBR-OLZOCXBDSA-N 2 0 226.364 1.318 20 0 BDADRP CC[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccn(C)n1 ZINC000349784487 355462133 /nfs/dbraw/zinc/46/21/33/355462133.db2.gz PVGRMZZPBDVEMS-ZDUSSCGKSA-N 2 0 248.374 1.723 20 0 BDADRP CC(C)[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000414824745 191586725 /nfs/dbraw/zinc/58/67/25/191586725.db2.gz BDCQOYXBAHTPBH-IHRRRGAJSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CCN2CC[NH2+]CC2)[C@@H](C)C1 ZINC000414865111 191606306 /nfs/dbraw/zinc/60/63/06/191606306.db2.gz CTLIXANZFLLQOB-HZSPNIEDSA-N 2 0 239.407 1.306 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000415017123 191651786 /nfs/dbraw/zinc/65/17/86/191651786.db2.gz DXIKBZLHHOXIDF-SNVBAGLBSA-N 2 0 232.331 1.780 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000415024782 191655592 /nfs/dbraw/zinc/65/55/92/191655592.db2.gz PNBSSWBRYMNIFO-ZOBORPQBSA-N 3 0 239.407 1.624 20 0 BDADRP C[C@@H](CC[NH3+])[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000414894254 191618357 /nfs/dbraw/zinc/61/83/57/191618357.db2.gz ZGIZKAMPALLTLM-NSHDSACASA-N 2 0 244.342 1.904 20 0 BDADRP C([NH2+][C@H]1CCC[C@@H]1C1CC1)[C@@H]1CC[NH2+]C1 ZINC000414899071 191620445 /nfs/dbraw/zinc/62/04/45/191620445.db2.gz CDQGFJULVZTVKP-RTXFEEFZSA-N 2 0 208.349 1.764 20 0 BDADRP CCOC[C@H](C)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414905162 191621393 /nfs/dbraw/zinc/62/13/93/191621393.db2.gz OBGFQJFYGMIHIB-NSHDSACASA-N 2 0 214.353 1.391 20 0 BDADRP CCn1cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000414936186 191626681 /nfs/dbraw/zinc/62/66/81/191626681.db2.gz ZCFSGXFWLGOADL-NWDGAFQWSA-N 2 0 222.336 1.263 20 0 BDADRP COc1cccc2c1CC[C@H]2[NH2+]CCC[NH3+] ZINC000415093825 191677129 /nfs/dbraw/zinc/67/71/29/191677129.db2.gz WDYWZIJNBNKTIU-GFCCVEGCSA-N 2 0 220.316 1.621 20 0 BDADRP CN(C)c1ccccc1C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415031489 191658158 /nfs/dbraw/zinc/65/81/58/191658158.db2.gz GXEDVAXYUAYYPF-GXTWGEPZSA-N 2 0 247.386 1.970 20 0 BDADRP C([NH2+][C@H]1CCC[C@@H]1C1CC1)[C@H]1C[NH2+]CCCO1 ZINC000415034831 191658842 /nfs/dbraw/zinc/65/88/42/191658842.db2.gz IECFDTBYURULQZ-MCIONIFRSA-N 2 0 238.375 1.533 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)CCO1 ZINC000415045540 191662262 /nfs/dbraw/zinc/66/22/62/191662262.db2.gz UEYMQKOCHDFLMQ-REWJHTLYSA-N 2 0 240.391 1.909 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000415074843 191671322 /nfs/dbraw/zinc/67/13/22/191671322.db2.gz AWXDZTMCJVUXNG-UXUKBGGZSA-N 2 0 242.407 1.891 20 0 BDADRP CO[C@@H](C[NH2+]C[C@H]1CCN1C(C)(C)C)C1CC1 ZINC000639301716 355642189 /nfs/dbraw/zinc/64/21/89/355642189.db2.gz ANHHRJJKPZYQRA-OLZOCXBDSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000582181900 355646021 /nfs/dbraw/zinc/64/60/21/355646021.db2.gz ZITIHCNNWIYTNO-MNOVXSKESA-N 3 0 221.348 1.361 20 0 BDADRP CO[C@@H](C[N@H+](C)CC1CN(C)C1)C1CCCC1 ZINC000639310614 355663928 /nfs/dbraw/zinc/66/39/28/355663928.db2.gz UOISGVBVNGWEBD-AWEZNQCLSA-N 2 0 240.391 1.685 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@]2(O)CCC[C@H]2C)CC1 ZINC000328135324 355742236 /nfs/dbraw/zinc/74/22/36/355742236.db2.gz XXPGVJIYXGZWHU-TZMCWYRMSA-N 2 0 240.391 1.611 20 0 BDADRP CCCN1CC[C@@H]([NH2+]C2CC(n3cccn3)C2)C1 ZINC000639330260 355747148 /nfs/dbraw/zinc/74/71/48/355747148.db2.gz MXILCIPXCHSHRK-IYXRBSQSSA-N 2 0 248.374 1.661 20 0 BDADRP C[N@@H+]1CCCC[C@@H](C[NH2+]CCC[C@@H]2CCO2)C1 ZINC000639345926 355792581 /nfs/dbraw/zinc/79/25/81/355792581.db2.gz CUHILIBAQKNLBX-UONOGXRCSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000336025598 134056895 /nfs/dbraw/zinc/05/68/95/134056895.db2.gz PHXGAQCNHCPFKU-RYSNWHEDSA-N 2 0 239.407 1.399 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](CCCc2ccncc2)C1 ZINC000420264924 192191804 /nfs/dbraw/zinc/19/18/04/192191804.db2.gz ATONPYCDDKEPOC-HNNXBMFYSA-N 2 0 247.386 1.946 20 0 BDADRP CCOC(=O)CCCC[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000420297595 192204585 /nfs/dbraw/zinc/20/45/85/192204585.db2.gz YVHRCIDEQOUZNZ-VXGBXAGGSA-N 2 0 242.363 1.389 20 0 BDADRP C[C@@H](O)CC[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420296758 192204731 /nfs/dbraw/zinc/20/47/31/192204731.db2.gz DTXVRDSDKZBVRV-VXGBXAGGSA-N 2 0 214.353 1.079 20 0 BDADRP C[C@@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)[C@H]1CN ZINC000420296602 192204905 /nfs/dbraw/zinc/20/49/05/192204905.db2.gz XFZZBKVIPZHARS-UPJWGTAASA-N 2 0 225.380 1.045 20 0 BDADRP C(C[N@@H+]1CCC[C@@H]1C1CCC1)N1CC[NH2+]CC1 ZINC000420297486 192205326 /nfs/dbraw/zinc/20/53/26/192205326.db2.gz FYNYVPMCJJHUPD-CQSZACIVSA-N 2 0 237.391 1.156 20 0 BDADRP [NH3+]CC1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420269588 192195995 /nfs/dbraw/zinc/19/59/95/192195995.db2.gz IIQUWTGNXWTWTR-CYBMUJFWSA-N 3 0 225.380 1.047 20 0 BDADRP CC(C)OC(=O)CC[N@H+](C)CC(C)(C)C[NH3+] ZINC000420283598 192199404 /nfs/dbraw/zinc/19/94/04/192199404.db2.gz CGZBSDCPQYCMML-UHFFFAOYSA-N 2 0 230.352 1.245 20 0 BDADRP CCCN(CC[C@H]1CC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000420286301 192199927 /nfs/dbraw/zinc/19/99/27/192199927.db2.gz FFNCRNOAZCMVOC-CHWSQXEVSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@H](CCNC(=O)CCCC[NH+](C)C)[NH+](C)C ZINC000617751679 356310880 /nfs/dbraw/zinc/31/08/80/356310880.db2.gz AJSWPNWFFSUFPB-GFCCVEGCSA-N 2 0 243.395 1.175 20 0 BDADRP CC[NH+](CC)CCCN1CCC[C@H](C)[C@H]1C[NH3+] ZINC000420289634 192200890 /nfs/dbraw/zinc/20/08/90/192200890.db2.gz KMFKKXJIFHQWMC-UONOGXRCSA-N 2 0 241.423 1.778 20 0 BDADRP CCCCC[N@H+](CCO)CC[C@H]1CCC[NH2+]C1 ZINC000420295469 192202641 /nfs/dbraw/zinc/20/26/41/192202641.db2.gz AKWSLNFABUACBX-CQSZACIVSA-N 2 0 242.407 1.861 20 0 BDADRP CC[NH+](CC)CCCN1CC[NH2+][C@@H](C)[C@@H]1C ZINC000420317031 192213197 /nfs/dbraw/zinc/21/31/97/192213197.db2.gz UHOVKFDTNMFIAS-STQMWFEESA-N 2 0 227.396 1.401 20 0 BDADRP CC(C)CO[C@@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420313301 192213353 /nfs/dbraw/zinc/21/33/53/192213353.db2.gz XXCCETYGHHZHRA-UONOGXRCSA-N 2 0 240.391 1.733 20 0 BDADRP CC[C@@H](C)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420329999 192214129 /nfs/dbraw/zinc/21/41/29/192214129.db2.gz KUUHIUIALGNOIS-RTXFEEFZSA-N 2 0 226.364 1.613 20 0 BDADRP CCCC[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420334983 192215185 /nfs/dbraw/zinc/21/51/85/192215185.db2.gz UQGWTQKYPSLUGX-LBPRGKRZSA-N 2 0 226.364 1.474 20 0 BDADRP CC(C)OCC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420340607 192215660 /nfs/dbraw/zinc/21/56/60/192215660.db2.gz MVURAPPUBVWRMQ-UONOGXRCSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H]1CCN(CCOCC2CC2)[C@H](C[NH3+])C1 ZINC000420339633 192216833 /nfs/dbraw/zinc/21/68/33/192216833.db2.gz ONSWIQSLOGOWQK-AAEUAGOBSA-N 2 0 226.364 1.472 20 0 BDADRP CC[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000420299501 192207887 /nfs/dbraw/zinc/20/78/87/192207887.db2.gz GQVMDDBADIEIHW-MELADBBJSA-N 2 0 240.391 1.875 20 0 BDADRP [NH3+]C[C@@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000420305670 192209776 /nfs/dbraw/zinc/20/97/76/192209776.db2.gz ZCBJMBYVTDFLBB-ZDUSSCGKSA-N 2 0 225.380 1.143 20 0 BDADRP CN(CCC[NH+]1CCCCC1)[C@H](C[NH3+])C1CC1 ZINC000420310225 192210647 /nfs/dbraw/zinc/21/06/47/192210647.db2.gz FZRGGVGASVGJHC-CQSZACIVSA-N 2 0 239.407 1.532 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC[C@H]1CCCCO1 ZINC000420308134 192210902 /nfs/dbraw/zinc/21/09/02/192210902.db2.gz CLQPQEHGNOYPGN-JHJVBQTASA-N 2 0 226.364 1.615 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC[C@H]3CC[NH2+]C3)C[C@@H]21 ZINC000420313008 192211472 /nfs/dbraw/zinc/21/14/72/192211472.db2.gz SZIKLNHMGNDQAT-YIYPIFLZSA-N 3 0 237.391 1.045 20 0 BDADRP C(CN(C1CC1)[C@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000420310235 192211690 /nfs/dbraw/zinc/21/16/90/192211690.db2.gz FQIGRSLJZRVUPU-OCCSQVGLSA-N 2 0 237.391 1.202 20 0 BDADRP Cc1ccccc1[C@H](C)[NH2+]CCN1CC[NH2+]CC1 ZINC000420366535 192225905 /nfs/dbraw/zinc/22/59/05/192225905.db2.gz GAVHTPGZKWUKRZ-AWEZNQCLSA-N 2 0 247.386 1.551 20 0 BDADRP CC(C)[NH2+]C1CC[NH+](C[C@H]2CCO[C@@H]2C)CC1 ZINC000639527508 356376897 /nfs/dbraw/zinc/37/68/97/356376897.db2.gz RRNJYFKTUNFHGE-CHWSQXEVSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)[C@@H](CN)C1 ZINC000420325899 192229062 /nfs/dbraw/zinc/22/90/62/192229062.db2.gz CACOYJMNMHDHDQ-MGPQQGTHSA-N 2 0 239.407 1.435 20 0 BDADRP CC(C)C[C@@H](CNC(=O)[C@H]([NH3+])C(C)C)[NH+](C)C ZINC000040831273 358503243 /nfs/dbraw/zinc/50/32/43/358503243.db2.gz LRLBUXOXKUELGP-NWDGAFQWSA-N 2 0 243.395 1.062 20 0 BDADRP CC[NH+](CC)CCCN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000420325748 192230657 /nfs/dbraw/zinc/23/06/57/192230657.db2.gz WSKXZPLNAHUDDG-CQSZACIVSA-N 2 0 239.407 1.545 20 0 BDADRP CC(C)OCC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420357624 192220683 /nfs/dbraw/zinc/22/06/83/192220683.db2.gz DSGVIVXWUZYKTI-ZDUSSCGKSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H](Cn1cccn1)[NH2+]CCC1CC[NH2+]CC1 ZINC000420362551 192221677 /nfs/dbraw/zinc/22/16/77/192221677.db2.gz AUPBGZCXJYPHED-LBPRGKRZSA-N 2 0 236.363 1.251 20 0 BDADRP C[NH2+]CCCN1CCc2c(cccc2OC)C1 ZINC000420364475 192224616 /nfs/dbraw/zinc/22/46/16/192224616.db2.gz QZDRKMSLZHDFBE-UHFFFAOYSA-N 2 0 234.343 1.663 20 0 BDADRP CCSCC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420383221 192234649 /nfs/dbraw/zinc/23/46/49/192234649.db2.gz SOJFZJJEJWDCFH-GFCCVEGCSA-N 2 0 228.405 1.815 20 0 BDADRP C[C@H]([NH3+])CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000420383706 192235662 /nfs/dbraw/zinc/23/56/62/192235662.db2.gz ZWBWSHZWZBUKBO-SCRDCRAPSA-N 2 0 237.391 1.282 20 0 BDADRP CC(C)OCCC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420391200 192236764 /nfs/dbraw/zinc/23/67/64/192236764.db2.gz YTJBFZYDJCTZPM-CQSZACIVSA-N 2 0 240.391 1.877 20 0 BDADRP C([C@@H]1CCOC1)[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420403821 192238693 /nfs/dbraw/zinc/23/86/93/192238693.db2.gz RTPUXROBIJWNCF-MELADBBJSA-N 2 0 238.375 1.487 20 0 BDADRP CC(C)[C@@H]1CCCC[C@H]1[NH2+]CCOCC[NH3+] ZINC000420408186 192238918 /nfs/dbraw/zinc/23/89/18/192238918.db2.gz PDNFJNUXCUAFFP-QWHCGFSZSA-N 2 0 228.380 1.766 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000420413214 192240143 /nfs/dbraw/zinc/24/01/43/192240143.db2.gz SUWUCASPQRCLGQ-RDBSUJKOSA-N 2 0 239.407 1.293 20 0 BDADRP C[C@H]([NH3+])CN[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000420412520 192240170 /nfs/dbraw/zinc/24/01/70/192240170.db2.gz SGYNQWJREWEEJN-YUTCNCBUSA-N 2 0 233.359 1.369 20 0 BDADRP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]CCOCC[NH3+] ZINC000420416228 192241408 /nfs/dbraw/zinc/24/14/08/192241408.db2.gz VLVYOQJCAKIPQH-STQMWFEESA-N 2 0 244.379 1.145 20 0 BDADRP c1c[nH]c([C@@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)n1 ZINC000420376712 192232143 /nfs/dbraw/zinc/23/21/43/192232143.db2.gz QZEZZNFWDSGFKE-RYUDHWBXSA-N 2 0 234.347 1.546 20 0 BDADRP Cn1cncc1CC[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000639554329 356456521 /nfs/dbraw/zinc/45/65/21/356456521.db2.gz JMIFUDGGODTLRL-SECBINFHSA-N 2 0 229.274 1.550 20 0 BDADRP Cc1cc(C)c(C[N@H+]2C[C@H](O)C[C@H]2C)c(C)n1 ZINC000639551051 356433898 /nfs/dbraw/zinc/43/38/98/356433898.db2.gz GHQGJWIABMFKSS-DGCLKSJQSA-N 2 0 234.343 1.962 20 0 BDADRP C[N@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1CCCOC1 ZINC000352219648 134108975 /nfs/dbraw/zinc/10/89/75/134108975.db2.gz DYPNYUYURQFXKW-CHWSQXEVSA-N 2 0 226.364 1.582 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000639614035 356532022 /nfs/dbraw/zinc/53/20/22/356532022.db2.gz WVECLRMKZJGYMM-BFHYXJOUSA-N 2 0 240.391 1.828 20 0 BDADRP CCC[NH+]1CCC([NH2+]CC(C)(C)CO)CC1 ZINC000088170251 491094792 /nfs/dbraw/zinc/09/47/92/491094792.db2.gz WDEBPYLYSRSLMI-UHFFFAOYSA-N 2 0 228.380 1.469 20 0 BDADRP CC[C@H](O)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682661 356593358 /nfs/dbraw/zinc/59/33/58/356593358.db2.gz IACXLKDBVMYUHR-AWEZNQCLSA-N 2 0 249.358 1.365 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CCCC2(CC2)CC1 ZINC000629585809 538459137 /nfs/dbraw/zinc/45/91/37/538459137.db2.gz FVZJNUZCKQIPGZ-UHFFFAOYSA-N 2 0 212.337 1.228 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCN(c2ccccn2)C1 ZINC000422963909 192529051 /nfs/dbraw/zinc/52/90/51/192529051.db2.gz HGAXUTAZLNPZHX-RWMBFGLXSA-N 2 0 248.374 1.376 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@H](CCO)c1ccccc1 ZINC000422983247 192518253 /nfs/dbraw/zinc/51/82/53/192518253.db2.gz ZCQSSIJMUMKIRC-GXTWGEPZSA-N 2 0 236.359 1.827 20 0 BDADRP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H](C)CCC[NH3+])C1(C)C ZINC000423019851 192541325 /nfs/dbraw/zinc/54/13/25/192541325.db2.gz XLSZYCPCWVYFLP-WISYIIOYSA-N 2 0 228.380 1.763 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CCOC1)[C@H]1CCCC[NH2+]1 ZINC000423030931 192544104 /nfs/dbraw/zinc/54/41/04/192544104.db2.gz KISCTQCXYBDGDA-FRRDWIJNSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]1C[NH2+]CCN1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000675056446 538478251 /nfs/dbraw/zinc/47/82/51/538478251.db2.gz KGIMMIIHCWSZGP-RLAWYHOSSA-N 2 0 237.391 1.201 20 0 BDADRP C[C@@H](C[NH+](C)C)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000130157260 325018480 /nfs/dbraw/zinc/01/84/80/325018480.db2.gz MTROGMRTUGCPBV-QJPTWQEYSA-N 2 0 213.369 1.009 20 0 BDADRP CCC[C@@H](C)C(=O)NCC[NH2+][C@@H](C)CCC[NH3+] ZINC000423126898 192576752 /nfs/dbraw/zinc/57/67/52/192576752.db2.gz JGHGLPHZAISOTE-NEPJUHHUSA-N 2 0 243.395 1.256 20 0 BDADRP C[NH+]1CCC2(CC[N@H+](C[C@@H]3CCOC3)C2)CC1 ZINC000639758884 356669632 /nfs/dbraw/zinc/66/96/32/356669632.db2.gz YKDPMGSLFPIWSZ-ZDUSSCGKSA-N 2 0 238.375 1.441 20 0 BDADRP COCC1(CC[NH2+][C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000582241704 356671643 /nfs/dbraw/zinc/67/16/43/356671643.db2.gz GGPULAIPTWBQRL-WDEREUQCSA-N 2 0 212.337 1.273 20 0 BDADRP C[C@H]([NH2+]C[C@H](CO)C1CCCCC1)C1C[NH2+]C1 ZINC000423132420 192579926 /nfs/dbraw/zinc/57/99/26/192579926.db2.gz JGCMRKKTONZDIZ-SMDDNHRTSA-N 2 0 240.391 1.373 20 0 BDADRP C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@](O)(CN(C)C)C1 ZINC000639761083 356675710 /nfs/dbraw/zinc/67/57/10/356675710.db2.gz CVSGYYNLXGBCTB-UPJWGTAASA-N 2 0 226.364 1.031 20 0 BDADRP C[C@@H]1CC[N@H+](CCC(F)(F)F)C[C@@H]1C[NH3+] ZINC000167660015 134153684 /nfs/dbraw/zinc/15/36/84/134153684.db2.gz MQEDHQMIFYPCHP-BDAKNGLRSA-N 2 0 224.270 1.856 20 0 BDADRP C[C@H](F)CC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000423138791 192583462 /nfs/dbraw/zinc/58/34/62/192583462.db2.gz UCVYXQBTWSXSSW-AXFHLTTASA-N 2 0 202.317 1.984 20 0 BDADRP c1cn(CCC[N@@H+]2CCC[C@H]2c2cn[nH]c2)cn1 ZINC000639779253 356725796 /nfs/dbraw/zinc/72/57/96/356725796.db2.gz ZJPQLUWBYUZIIO-ZDUSSCGKSA-N 2 0 245.330 1.833 20 0 BDADRP C[NH+](C)[C@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000639803854 356768626 /nfs/dbraw/zinc/76/86/26/356768626.db2.gz DKQGDWMSNWTAJZ-AWEZNQCLSA-N 2 0 239.407 1.498 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCC[C@H](F)C1 ZINC000578193617 366379868 /nfs/dbraw/zinc/37/98/68/366379868.db2.gz IRUWKYMBHVQAKB-NAKRPEOUSA-N 2 0 202.317 1.983 20 0 BDADRP CN1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623372511 356880717 /nfs/dbraw/zinc/88/07/17/356880717.db2.gz XIJPOIQKYSNDRP-STQMWFEESA-N 2 0 239.407 1.543 20 0 BDADRP CN1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623372508 356881221 /nfs/dbraw/zinc/88/12/21/356881221.db2.gz XIJPOIQKYSNDRP-CHWSQXEVSA-N 2 0 239.407 1.543 20 0 BDADRP CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)CCC[NH3+] ZINC000423169974 192605053 /nfs/dbraw/zinc/60/50/53/192605053.db2.gz KTMRWRNGAAQFRG-AXFHLTTASA-N 2 0 200.326 1.271 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@H]2CCC[C@H](CO)C2)CC1 ZINC000423180260 192612605 /nfs/dbraw/zinc/61/26/05/192612605.db2.gz KMZBTIUEMKLNMI-YIOUJQMASA-N 2 0 240.391 1.645 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000423199314 192623457 /nfs/dbraw/zinc/62/34/57/192623457.db2.gz JQUJDVXILLNSPE-NEPJUHHUSA-N 2 0 228.380 1.778 20 0 BDADRP CCCCOCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000119571973 357028660 /nfs/dbraw/zinc/02/86/60/357028660.db2.gz BFMIDVPFBFLHAT-CHWSQXEVSA-N 2 0 228.380 1.875 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NCCC[NH3+] ZINC000389783441 357031826 /nfs/dbraw/zinc/03/18/26/357031826.db2.gz JSTMEGMHFJWMSC-ZFWWWQNUSA-N 2 0 247.386 1.445 20 0 BDADRP CC[C@@H](C)C[N@H+](CC)C[C@@](C)(O)C[NH2+]C ZINC000582306187 357043032 /nfs/dbraw/zinc/04/30/32/357043032.db2.gz FLXAQLXAMJNZSW-NEPJUHHUSA-N 2 0 216.369 1.325 20 0 BDADRP CCOC[C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423254651 192654480 /nfs/dbraw/zinc/65/44/80/192654480.db2.gz ZAFWRWBCXRQASJ-HZSPNIEDSA-N 2 0 240.391 1.781 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+]C[C@H]2CCSC2)cc1 ZINC000582486401 357318621 /nfs/dbraw/zinc/31/86/21/357318621.db2.gz LNAZKRJOFOMKKK-CYBMUJFWSA-N 2 0 236.384 1.988 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1CCCOC1 ZINC000582546435 357331899 /nfs/dbraw/zinc/33/18/99/357331899.db2.gz RNZGSPCIOTXDOX-HBNTYKKESA-N 2 0 200.326 1.128 20 0 BDADRP CC[C@H](O)C[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000582602133 357348614 /nfs/dbraw/zinc/34/86/14/357348614.db2.gz KQBLJQCMQCDKKQ-LBPRGKRZSA-N 2 0 228.380 1.469 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C(=O)N(C)[C@@H]2CC[NH2+]C2)cc1 ZINC000582899627 357425332 /nfs/dbraw/zinc/42/53/32/357425332.db2.gz PMJAWJZTABSVMT-ZWNOBZJWSA-N 2 0 247.342 1.140 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H](CO)CC2CCC2)C1 ZINC000583153857 357496711 /nfs/dbraw/zinc/49/67/11/357496711.db2.gz SQSAKUXICIQVAE-JHJVBQTASA-N 2 0 226.364 1.397 20 0 BDADRP [NH3+]CCCN(Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000583085051 357475159 /nfs/dbraw/zinc/47/51/59/357475159.db2.gz VQZXGFXYJBIGKW-HNNXBMFYSA-N 2 0 247.386 1.589 20 0 BDADRP CC[NH+]1CCC([NH2+]CC[C@H]2CCOC2)CC1 ZINC000231708065 357623110 /nfs/dbraw/zinc/62/31/10/357623110.db2.gz QDHOGSYXNQOZDI-LBPRGKRZSA-N 2 0 226.364 1.487 20 0 BDADRP C[NH+]1CCC(O)(C[NH2+]C(C2CC2)C2CC2)CC1 ZINC000397613007 357627703 /nfs/dbraw/zinc/62/77/03/357627703.db2.gz SDPASVZAGGTWRE-UHFFFAOYSA-N 2 0 238.375 1.221 20 0 BDADRP COCCC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063200080 357593699 /nfs/dbraw/zinc/59/36/99/357593699.db2.gz UZAKJLMRJDYPCU-ZDUSSCGKSA-N 2 0 226.364 1.487 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+]C2CCC(O)CC2)C1 ZINC000233499811 357725315 /nfs/dbraw/zinc/72/53/15/357725315.db2.gz VVKUDPABUYVMNJ-HIFPTAJRSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)C[C@H]1CO ZINC000190864228 357727358 /nfs/dbraw/zinc/72/73/58/357727358.db2.gz MKNWXNBSLNWIGJ-AGIUHOORSA-N 2 0 226.364 1.031 20 0 BDADRP C[C@@H](Cc1ccsc1)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000583257238 357732776 /nfs/dbraw/zinc/73/27/76/357732776.db2.gz QQVYAXGYCVIVEE-UWVGGRQHSA-N 2 0 224.373 1.877 20 0 BDADRP CC(C)[C@@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623415194 357762954 /nfs/dbraw/zinc/76/29/54/357762954.db2.gz CGZQWRFJRGTXAW-OCCSQVGLSA-N 2 0 242.407 1.856 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@](C)(O)C2CC2)CC1(C)C ZINC000623415536 357763934 /nfs/dbraw/zinc/76/39/34/357763934.db2.gz OJUQDARWLQYNLL-OCCSQVGLSA-N 2 0 240.391 1.610 20 0 BDADRP CCC[N@H+](CCO)CCC[NH+](CC)CC ZINC000191441168 357771311 /nfs/dbraw/zinc/77/13/11/357771311.db2.gz DCMUVVFBPULHIV-UHFFFAOYSA-N 2 0 216.369 1.423 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000168513820 134225317 /nfs/dbraw/zinc/22/53/17/134225317.db2.gz IBKCHMYWLIVBQT-SRVKXCTJSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@H]2CCC[C@H]([NH3+])C2)O1 ZINC000398193713 357860218 /nfs/dbraw/zinc/86/02/18/357860218.db2.gz YHQBIUNIYKIXBE-NOOOWODRSA-N 2 0 212.337 1.413 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CCC1CCCC1 ZINC000234781747 357828800 /nfs/dbraw/zinc/82/88/00/357828800.db2.gz YVKXBUFVVGGJGP-ZDUSSCGKSA-N 2 0 228.380 1.910 20 0 BDADRP CCC[C@@H](O)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623416039 357828926 /nfs/dbraw/zinc/82/89/26/357828926.db2.gz GTKLDSLCUREWKI-NWDGAFQWSA-N 2 0 228.380 1.610 20 0 BDADRP C[C@@H]([NH2+]CC1CCOCC1)[C@@H]1CCCC[NH2+]1 ZINC000386372887 357833583 /nfs/dbraw/zinc/83/35/83/357833583.db2.gz BOUWEMJSCVRNHN-YPMHNXCESA-N 2 0 226.364 1.533 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1cscc1C ZINC000234734051 357833663 /nfs/dbraw/zinc/83/36/63/357833663.db2.gz WPXRSKOTMVNROL-GFCCVEGCSA-N 2 0 242.388 1.900 20 0 BDADRP Cc1c[nH+]ccc1NC[C@H](C)N1CC[NH+](C)CC1 ZINC000192558971 357844567 /nfs/dbraw/zinc/84/45/67/357844567.db2.gz NAPZICICHVHGIO-ZDUSSCGKSA-N 2 0 248.374 1.438 20 0 BDADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCCO ZINC000235113455 357846621 /nfs/dbraw/zinc/84/66/21/357846621.db2.gz NSTOFDFKBGPDAZ-STQMWFEESA-N 2 0 228.380 1.659 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCCO ZINC000235467736 357869870 /nfs/dbraw/zinc/86/98/70/357869870.db2.gz NSTOFDFKBGPDAZ-OLZOCXBDSA-N 2 0 228.380 1.659 20 0 BDADRP C[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)[N@H+](C)C1CC1 ZINC000217538076 357908606 /nfs/dbraw/zinc/90/86/06/357908606.db2.gz ZRUHHLMXGSBVML-UTUOFQBUSA-N 2 0 225.380 1.329 20 0 BDADRP C[NH2+]C[C@](C)(O)C[NH2+][C@H]1CCCC1(C)C ZINC000584415529 357915882 /nfs/dbraw/zinc/91/58/82/357915882.db2.gz MQBFWHJYEGGUBL-JQWIXIFHSA-N 2 0 214.353 1.125 20 0 BDADRP COCCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000217747003 134249332 /nfs/dbraw/zinc/24/93/32/134249332.db2.gz RMZBIJVLGHGLDW-YNEHKIRRSA-N 2 0 228.380 1.731 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2O)CC1(C)C ZINC000623418330 358062048 /nfs/dbraw/zinc/06/20/48/358062048.db2.gz MCLOHXQQQAFCBY-XQQFMLRXSA-N 2 0 240.391 1.752 20 0 BDADRP C[C@H](O)C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000169237626 134249961 /nfs/dbraw/zinc/24/99/61/134249961.db2.gz USSFRRDPOWPLCP-UWJYBYFXSA-N 2 0 206.289 1.102 20 0 BDADRP C[C@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000037017262 358063734 /nfs/dbraw/zinc/06/37/34/358063734.db2.gz UYOMQUWQWMQLEH-NSHDSACASA-N 2 0 247.342 1.568 20 0 BDADRP CC[C@H](O)C[NH+]1CCC(CC)([NH+](C)C)CC1 ZINC000640014972 358068374 /nfs/dbraw/zinc/06/83/74/358068374.db2.gz CADXDTIQYCJFSL-LBPRGKRZSA-N 2 0 228.380 1.564 20 0 BDADRP CCC[C@H](O)C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000217736779 134250427 /nfs/dbraw/zinc/25/04/27/134250427.db2.gz JAVBHRHMNUEONP-ZLKJLUDKSA-N 2 0 234.343 1.882 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](CO)C2)[C@@H](C)C1 ZINC000631669179 358183227 /nfs/dbraw/zinc/18/32/27/358183227.db2.gz HIPINKUMHUPDSN-WUHRBBMRSA-N 2 0 226.364 1.077 20 0 BDADRP CCOC[C@H]([NH2+]Cc1cnc(C)n1C)C(C)C ZINC000584851264 358209272 /nfs/dbraw/zinc/20/92/72/358209272.db2.gz VKZHYSGMSFVJRW-ZDUSSCGKSA-N 2 0 239.363 1.879 20 0 BDADRP CCOC[C@@H]([NH2+]Cc1cnc(C)n1C)C(C)C ZINC000584851254 358209308 /nfs/dbraw/zinc/20/93/08/358209308.db2.gz VKZHYSGMSFVJRW-CYBMUJFWSA-N 2 0 239.363 1.879 20 0 BDADRP CCc1ccc(C[NH2+]C[C@H](C)C[NH3+])s1 ZINC000225373027 358240637 /nfs/dbraw/zinc/24/06/37/358240637.db2.gz GJPPQHBFZDEHIG-SECBINFHSA-N 2 0 212.362 1.995 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000226343875 358337738 /nfs/dbraw/zinc/33/77/38/358337738.db2.gz FSUPZLPYGARFEX-QWHCGFSZSA-N 2 0 239.407 1.578 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@H]2CC[NH2+]C2)CCS1 ZINC000252690419 366412219 /nfs/dbraw/zinc/41/22/19/366412219.db2.gz UXQJLXYQKHBJLG-WDEREUQCSA-N 2 0 214.378 1.423 20 0 BDADRP C[C@@H]([N@H+](C)CCN1CC[NH2+]CC1)C(C)(C)C ZINC000042781576 358358178 /nfs/dbraw/zinc/35/81/78/358358178.db2.gz ZZKJSXFUOBBUST-GFCCVEGCSA-N 2 0 227.396 1.258 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CCOC1)C1CC[NH+](C)CC1 ZINC000230410433 491130031 /nfs/dbraw/zinc/13/00/31/491130031.db2.gz ZGWOFHNKPYJPHS-QWHCGFSZSA-N 2 0 240.391 1.733 20 0 BDADRP CC(C)(CCCO)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000227914073 358366881 /nfs/dbraw/zinc/36/68/81/358366881.db2.gz DTQGYDIJPIEVTC-NWDGAFQWSA-N 2 0 228.380 1.645 20 0 BDADRP CS[C@H](C)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000228898535 358387372 /nfs/dbraw/zinc/38/73/72/358387372.db2.gz KJTKHHLAGNVZHT-BBBLOLIVSA-N 2 0 202.367 1.597 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC[C@@H]1CCCO1 ZINC000044510346 358388921 /nfs/dbraw/zinc/38/89/21/358388921.db2.gz BCDMCJMCPHYNAA-UTUOFQBUSA-N 2 0 212.337 1.367 20 0 BDADRP CN(CC[C@H]1CCCC[N@@H+]1C)C[C@@H]1CCCO1 ZINC000173952217 134277306 /nfs/dbraw/zinc/27/73/06/134277306.db2.gz FXQZOKPVTZUWGO-KGLIPLIRSA-N 2 0 240.391 1.972 20 0 BDADRP CCC(CC)(CO)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000230209555 358395771 /nfs/dbraw/zinc/39/57/71/358395771.db2.gz DLYYIGLMBAYDTF-NWDGAFQWSA-N 2 0 228.380 1.645 20 0 BDADRP CC(C)CCOCC[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000045107842 358401650 /nfs/dbraw/zinc/40/16/50/358401650.db2.gz KXKMGNGGPUYMPE-CHWSQXEVSA-N 2 0 228.380 1.861 20 0 BDADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1nccs1 ZINC000219312845 134281614 /nfs/dbraw/zinc/28/16/14/134281614.db2.gz PBLRNPZQMYEYJL-SNVBAGLBSA-N 2 0 243.376 1.372 20 0 BDADRP CC[NH+](CC)CCN(CCC[NH3+])CC(C)C ZINC000043417527 358538148 /nfs/dbraw/zinc/53/81/48/358538148.db2.gz BJJFOXPOINBAIB-UHFFFAOYSA-N 2 0 229.412 1.635 20 0 BDADRP COC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000130251864 358615080 /nfs/dbraw/zinc/61/50/80/358615080.db2.gz IKABRSCPQHLURP-MCIONIFRSA-N 2 0 238.375 1.628 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(O)CC1 ZINC000049856235 358703409 /nfs/dbraw/zinc/70/34/09/358703409.db2.gz PKDQLYGPABERRF-GFCCVEGCSA-N 2 0 226.364 1.318 20 0 BDADRP C[C@]1(C(=O)Nc2ccc(C[NH3+])cc2)CC[NH2+]C1 ZINC000131739341 358691667 /nfs/dbraw/zinc/69/16/67/358691667.db2.gz SSGDEGXTANVIHG-ZDUSSCGKSA-N 2 0 233.315 1.083 20 0 BDADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](CO)C1 ZINC000049774086 358700632 /nfs/dbraw/zinc/70/06/32/358700632.db2.gz LGHIGZXFUQWJOZ-KBPBESRZSA-N 2 0 240.391 1.565 20 0 BDADRP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C(C)(C)C ZINC000133309778 358750793 /nfs/dbraw/zinc/75/07/93/358750793.db2.gz CSKIMSCMTGPIBK-VXGBXAGGSA-N 2 0 228.380 1.467 20 0 BDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@@H]1CCOC1 ZINC000133302558 358750797 /nfs/dbraw/zinc/75/07/97/358750797.db2.gz FELMBQAYNXJPKN-NWDGAFQWSA-N 2 0 214.353 1.328 20 0 BDADRP CC[C@H](CCO)[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000134352355 358787995 /nfs/dbraw/zinc/78/79/95/358787995.db2.gz IMPKYDGEUWTFCP-YIYPIFLZSA-N 2 0 240.391 1.658 20 0 BDADRP Cn1ccnc1C[NH2+]CCC1CC[NH+](C)CC1 ZINC000134403122 358789807 /nfs/dbraw/zinc/78/98/07/358789807.db2.gz MMRXTLRSSSMWJK-UHFFFAOYSA-N 2 0 236.363 1.242 20 0 BDADRP COC1CCC([NH2+]C[C@@H]2CCCN2C)CC1 ZINC000134876472 358808668 /nfs/dbraw/zinc/80/86/68/358808668.db2.gz BELIPMPBWWYVMU-CPCZMJQVSA-N 2 0 226.364 1.628 20 0 BDADRP CC[C@H](CO)[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000135337617 358832677 /nfs/dbraw/zinc/83/26/77/358832677.db2.gz PUXUXUZWSPHCIN-ZOBORPQBSA-N 2 0 240.391 1.658 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000578324326 366514017 /nfs/dbraw/zinc/51/40/17/366514017.db2.gz DYQZWSNRJZZZTI-PHIMTYICSA-N 2 0 233.315 1.082 20 0 BDADRP C[C@H]([NH2+]CCOCC[NH+](C)C)[C@@H]1C[C@H]1C ZINC000321915860 259481503 /nfs/dbraw/zinc/48/15/03/259481503.db2.gz QKOULFNNTBUUHT-GRYCIOLGSA-N 2 0 214.353 1.199 20 0 BDADRP CCCCOCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000086403467 358967762 /nfs/dbraw/zinc/96/77/62/358967762.db2.gz CZZPYHAMGQHVQE-VXGBXAGGSA-N 2 0 214.353 1.663 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCCC2)CCO1 ZINC000069859065 359034598 /nfs/dbraw/zinc/03/45/98/359034598.db2.gz KIZBMCGXARNUJA-CHWSQXEVSA-N 2 0 226.364 1.629 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCCCO2)C1 ZINC000247230229 359203946 /nfs/dbraw/zinc/20/39/46/359203946.db2.gz MQKBAHHTLRKAHZ-QWHCGFSZSA-N 2 0 226.364 1.439 20 0 BDADRP CC(C)=CCC[C@H](C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423431176 192766921 /nfs/dbraw/zinc/76/69/21/192766921.db2.gz LLKZHZZXJMDXPQ-WUHRBBMRSA-N 2 0 208.349 1.929 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)CCO)CC1(C)C ZINC000623436028 359328401 /nfs/dbraw/zinc/32/84/01/359328401.db2.gz AMBPPJKGDYUYRE-GFCCVEGCSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1cnn(C)c1 ZINC000423458543 192778218 /nfs/dbraw/zinc/77/82/18/192778218.db2.gz KGGFRIDVRFTACI-DMDPSCGWSA-N 2 0 236.363 1.588 20 0 BDADRP CN1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000308936026 491140632 /nfs/dbraw/zinc/14/06/32/491140632.db2.gz KVHFHEMONRMPTE-FRRDWIJNSA-N 2 0 208.349 1.859 20 0 BDADRP COC(C)(C)C[N@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000404298521 359455641 /nfs/dbraw/zinc/45/56/41/359455641.db2.gz FHPMFBSQHBLFEB-NSHDSACASA-N 2 0 214.353 1.343 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)C1(C)C ZINC000423496047 192794869 /nfs/dbraw/zinc/79/48/69/192794869.db2.gz VYARZSFBCBGZBI-QNWHQSFQSA-N 2 0 240.391 1.907 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@H](C)O)C1 ZINC000580434597 359545946 /nfs/dbraw/zinc/54/59/46/359545946.db2.gz BWSVEDVLSFJGMX-GRYCIOLGSA-N 2 0 214.353 1.077 20 0 BDADRP [NH3+][C@H]1C[C@@H](NCCC[NH2+]C2CC2)c2ccccc21 ZINC000423572527 192814147 /nfs/dbraw/zinc/81/41/47/192814147.db2.gz YHIMFPGWNZXUTJ-LSDHHAIUSA-N 2 0 245.370 1.863 20 0 BDADRP Cc1cc(C[NH+](C)C)cc(NC(=O)C(C)(C)[NH3+])c1 ZINC000423786924 192835257 /nfs/dbraw/zinc/83/52/57/192835257.db2.gz QNVQIKQTSJXNSH-UHFFFAOYSA-N 2 0 249.358 1.732 20 0 BDADRP CC(C)[C@H](C(=O)N[C@H](C)CCCC[NH3+])[C@@H](C)[NH3+] ZINC000423701312 192824384 /nfs/dbraw/zinc/82/43/84/192824384.db2.gz WFYIYBUOPBKDPC-UTUOFQBUSA-N 2 0 243.395 1.240 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)CO)CC1(C)C ZINC000623467277 359673911 /nfs/dbraw/zinc/67/39/11/359673911.db2.gz BKECOZJGVCDRGG-NSHDSACASA-N 2 0 228.380 1.467 20 0 BDADRP CCC[C@@H](O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000450861097 202291783 /nfs/dbraw/zinc/29/17/83/202291783.db2.gz XVEWITVWLAMLRA-CHWSQXEVSA-N 2 0 228.380 1.564 20 0 BDADRP CCC[C@H](O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000450861098 202291236 /nfs/dbraw/zinc/29/12/36/202291236.db2.gz XVEWITVWLAMLRA-OLZOCXBDSA-N 2 0 228.380 1.564 20 0 BDADRP CCc1cc(N2CC[N@H+](CCO)C[C@H]2C)cc[nH+]1 ZINC000450956901 202319069 /nfs/dbraw/zinc/31/90/69/202319069.db2.gz SIDFNSDPSDIEHX-GFCCVEGCSA-N 2 0 249.358 1.147 20 0 BDADRP C[C@@H]([NH3+])[C@@H](C)c1nc(C2([NH3+])CCCC2)no1 ZINC000578531696 366592379 /nfs/dbraw/zinc/59/23/79/366592379.db2.gz NCFQWAOQGCEUER-HTQZYQBOSA-N 2 0 224.308 1.248 20 0 BDADRP CCC(O)(CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000087014958 359895011 /nfs/dbraw/zinc/89/50/11/359895011.db2.gz TXMRYJPVYLCQTM-YHWZYXNKSA-N 2 0 240.391 1.752 20 0 BDADRP C[N@H+](CCC[NH+]1CCCCC1)CC(C)(C)CO ZINC000451248487 202387178 /nfs/dbraw/zinc/38/71/78/202387178.db2.gz CUMJFSOICYFQFS-UHFFFAOYSA-N 2 0 242.407 1.813 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccncc1 ZINC000087646101 359922539 /nfs/dbraw/zinc/92/25/39/359922539.db2.gz GODBAERAGSOYTK-VXGBXAGGSA-N 2 0 219.332 1.732 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC(C1CC1)C1CC1 ZINC000578617133 366607048 /nfs/dbraw/zinc/60/70/48/366607048.db2.gz YZTMPQHAEKPTMC-OLZOCXBDSA-N 2 0 208.349 1.892 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]CCC[NH+](C)C)C12CCC2 ZINC000087708851 359924096 /nfs/dbraw/zinc/92/40/96/359924096.db2.gz KHVZROJSYWSHLX-CHWSQXEVSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CCC([NH3+])CC2)cc1 ZINC000578887521 366669036 /nfs/dbraw/zinc/66/90/36/366669036.db2.gz DGTCQHRCULPJRT-SNVBAGLBSA-N 2 0 247.342 1.270 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCCn1ccnc1 ZINC000089140799 359992817 /nfs/dbraw/zinc/99/28/17/359992817.db2.gz UFVNGOHDBHLISQ-OLZOCXBDSA-N 2 0 236.363 1.380 20 0 BDADRP CCCCC[N@H+](CCO)CC[C@@H]1CCC[NH+]1C ZINC000089427952 360019715 /nfs/dbraw/zinc/01/97/15/360019715.db2.gz QJJAGRFXZOJCSL-AWEZNQCLSA-N 2 0 242.407 1.955 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]C[C@H]2CCC[C@@H]2O)CC1 ZINC000089163561 359996850 /nfs/dbraw/zinc/99/68/50/359996850.db2.gz LRVGKZFHVKPKLC-OCCSQVGLSA-N 2 0 240.391 1.610 20 0 BDADRP CCn1cncc1CNCCC[NH+](CC)CC ZINC000090169802 360060302 /nfs/dbraw/zinc/06/03/02/360060302.db2.gz QFCYXBWNBQZNAM-UHFFFAOYSA-N 2 0 238.379 1.725 20 0 BDADRP CC(C)[C@@H](C)NC(=O)CN(C)CC(C)(C)C[NH3+] ZINC000093874021 360286337 /nfs/dbraw/zinc/28/63/37/360286337.db2.gz GTOVPUYCOKGFON-LLVKDONJSA-N 2 0 243.395 1.064 20 0 BDADRP CC(C)[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000098143678 360390181 /nfs/dbraw/zinc/39/01/81/360390181.db2.gz UOVGQEOUUKKNIX-UONOGXRCSA-N 2 0 242.407 1.713 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623474670 360410009 /nfs/dbraw/zinc/41/00/09/360410009.db2.gz LDMZHZKNJYCHBL-QWHCGFSZSA-N 2 0 242.407 1.857 20 0 BDADRP CCC[C@@H](CCO)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000631199388 360764849 /nfs/dbraw/zinc/76/48/49/360764849.db2.gz PUZFNLWDLAMSAG-STQMWFEESA-N 2 0 242.407 2.000 20 0 BDADRP CCn1nccc1C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414999677 200789551 /nfs/dbraw/zinc/78/95/51/200789551.db2.gz SCEWHUVJFQOFLW-NEPJUHHUSA-N 2 0 236.363 1.510 20 0 BDADRP CN(C)c1ccccc1C[NH2+]CCCC[NH3+] ZINC000414899335 200776586 /nfs/dbraw/zinc/77/65/86/200776586.db2.gz FLSASHLDJAVJHX-UHFFFAOYSA-N 2 0 221.348 1.581 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CC2([NH3+])CCOCC2)C[C@@H]1C ZINC000629386959 361038992 /nfs/dbraw/zinc/03/89/92/361038992.db2.gz ARPFVHHWSITFHP-FRRDWIJNSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H]1CCC[C@H]([NH2+]CCOCCC[NH3+])C1 ZINC000629398871 361045838 /nfs/dbraw/zinc/04/58/38/361045838.db2.gz ZWAWMNRPBPHBBH-NEPJUHHUSA-N 2 0 214.353 1.520 20 0 BDADRP C[C@@H]1CCC[C@@H]([NH2+]CCOCCC[NH3+])[C@H]1C ZINC000629399088 361046680 /nfs/dbraw/zinc/04/66/80/361046680.db2.gz CMSYVHVWTCMFED-FRRDWIJNSA-N 2 0 228.380 1.766 20 0 BDADRP C[C@@H](Cc1cccs1)[NH2+]CCOCCC[NH3+] ZINC000629398588 361048662 /nfs/dbraw/zinc/04/86/62/361048662.db2.gz FOHREVGCKBDMPI-NSHDSACASA-N 2 0 242.388 1.634 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CCOCCC[NH3+])C[C@@H]1C ZINC000629398823 361049438 /nfs/dbraw/zinc/04/94/38/361049438.db2.gz ICXPBMGPFQIBES-AGIUHOORSA-N 2 0 228.380 1.766 20 0 BDADRP CC(C)[C@H]1C[C@H]([NH2+]CCOCCC[NH3+])CCO1 ZINC000629400398 361051993 /nfs/dbraw/zinc/05/19/93/361051993.db2.gz WFQDCHAEWWBBMJ-CHWSQXEVSA-N 2 0 244.379 1.145 20 0 BDADRP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)CCO1 ZINC000629408222 361057630 /nfs/dbraw/zinc/05/76/30/361057630.db2.gz RTQYRHJUXNEZBI-RVMXOQNASA-N 2 0 226.364 1.530 20 0 BDADRP CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C)NC2)CCO1 ZINC000629418385 361063248 /nfs/dbraw/zinc/06/32/48/361063248.db2.gz XNZFGHAYUURGIG-RFGFWPKPSA-N 2 0 240.391 1.920 20 0 BDADRP CCC[C@@H]([NH3+])C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424222488 200891825 /nfs/dbraw/zinc/89/18/25/200891825.db2.gz JCWDUQKSKKHVDR-GFCCVEGCSA-N 2 0 235.331 1.520 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CC1CC=CC1 ZINC000629515997 361110421 /nfs/dbraw/zinc/11/04/21/361110421.db2.gz YVGMJERBQHKTOS-GFCCVEGCSA-N 2 0 212.337 1.296 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC[C@H]1CCCOC1 ZINC000629510947 361110473 /nfs/dbraw/zinc/11/04/73/361110473.db2.gz YNMDZZZTYLGKDK-SDDRHHMPSA-N 2 0 214.353 1.519 20 0 BDADRP CCC[C@H](C[NH2+][C@H](C)C[C@@H](C)[NH3+])OCC ZINC000629515386 361112351 /nfs/dbraw/zinc/11/23/51/361112351.db2.gz QXLLCWNUXCUWPN-IJLUTSLNSA-N 2 0 216.369 1.907 20 0 BDADRP CC[NH2+]CC1CC[NH+](Cc2cccnc2N)CC1 ZINC000629514922 361113003 /nfs/dbraw/zinc/11/30/03/361113003.db2.gz VXKIPRYJRMSHDW-UHFFFAOYSA-N 2 0 248.374 1.485 20 0 BDADRP CCO[C@H](C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C)C1CC1 ZINC000629516727 361115389 /nfs/dbraw/zinc/11/53/89/361115389.db2.gz OHXPUOZJFRUZRW-GMXVVIOVSA-N 2 0 226.364 1.471 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccoc1 ZINC000629528592 361136750 /nfs/dbraw/zinc/13/67/50/361136750.db2.gz DKOJYJBMNPFXTH-JTQLQIEISA-N 2 0 212.293 1.166 20 0 BDADRP CC[C@@H]([NH2+]CCOCC[NH2+]C)C(C)C ZINC000629528664 361137197 /nfs/dbraw/zinc/13/71/97/361137197.db2.gz GIOYXRQPDSCSNI-LLVKDONJSA-N 2 0 202.342 1.247 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H](C)c1ccco1 ZINC000629528525 361137200 /nfs/dbraw/zinc/13/72/00/361137200.db2.gz BEPAOTRHNQADQI-SNVBAGLBSA-N 2 0 212.293 1.166 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[NH2+]CC[C@H]1C ZINC000629528520 361137221 /nfs/dbraw/zinc/13/72/21/361137221.db2.gz BCTGALVLIKVMCP-YVECIDJPSA-N 2 0 225.380 1.105 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H](C)c1cccc(F)c1 ZINC000629528987 361138062 /nfs/dbraw/zinc/13/80/62/361138062.db2.gz ONAJHCSMSCHARS-LLVKDONJSA-N 2 0 240.322 1.712 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)CCCC[NH3+] ZINC000629529104 361138565 /nfs/dbraw/zinc/13/85/65/361138565.db2.gz RTTWKHMDUKMUGS-GRYCIOLGSA-N 3 0 213.369 1.234 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H](C)CCC1CC1 ZINC000629529656 361143639 /nfs/dbraw/zinc/14/36/39/361143639.db2.gz JUVOCJYCGXHUNX-LLVKDONJSA-N 2 0 214.353 1.391 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C ZINC000629530503 361144390 /nfs/dbraw/zinc/14/43/90/361144390.db2.gz IJIMMHGCSXWKRH-RWMBFGLXSA-N 2 0 228.380 1.637 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@H]1CCOC ZINC000629530333 361144766 /nfs/dbraw/zinc/14/47/66/361144766.db2.gz CUHDDTULMSXXKS-QWHCGFSZSA-N 2 0 244.379 1.017 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000629530970 361145819 /nfs/dbraw/zinc/14/58/19/361145819.db2.gz WHHZGGXIWXGTFP-NEPJUHHUSA-N 2 0 228.380 1.637 20 0 BDADRP C[NH2+]CCOCC[NH2+]C1CC(C(C)C)C1 ZINC000629530700 361145829 /nfs/dbraw/zinc/14/58/29/361145829.db2.gz NTGVTFYXLZEKSC-UHFFFAOYSA-N 2 0 214.353 1.247 20 0 BDADRP CCO[C@H](C[N@@H+]1CCC[C@H](CC[NH3+])C1)C1CC1 ZINC000629530161 361147991 /nfs/dbraw/zinc/14/79/91/361147991.db2.gz XAFWZDMNHVNSOT-TZMCWYRMSA-N 2 0 240.391 1.862 20 0 BDADRP CC[C@@H]([NH2+]CC1([NH3+])CCOCC1)C(C)C ZINC000629525018 361125501 /nfs/dbraw/zinc/12/55/01/361125501.db2.gz XRZXQOJZCNWYDC-LLVKDONJSA-N 2 0 214.353 1.519 20 0 BDADRP CC(C)[C@@H]([NH2+]CC1([NH3+])CCOCC1)C1CC1 ZINC000629525713 361126291 /nfs/dbraw/zinc/12/62/91/361126291.db2.gz ZTTHBTAQLXXDLA-GFCCVEGCSA-N 2 0 226.364 1.519 20 0 BDADRP CCSCC[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000158573196 361203927 /nfs/dbraw/zinc/20/39/27/361203927.db2.gz XBASXAHPQIWQKD-JTQLQIEISA-N 2 0 202.367 1.281 20 0 BDADRP CCSCC[N@H+](C)C1CC[NH2+]CC1 ZINC000158564489 361203971 /nfs/dbraw/zinc/20/39/71/361203971.db2.gz LCNDXJQOCSWQAM-UHFFFAOYSA-N 2 0 202.367 1.423 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1CC(C)C1 ZINC000622044545 370677400 /nfs/dbraw/zinc/67/74/00/370677400.db2.gz KAEXDAKXVBWLPA-NPBHJFFNSA-N 2 0 226.364 1.374 20 0 BDADRP Cc1nn(C)cc1[C@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC000622045644 370679436 /nfs/dbraw/zinc/67/94/36/370679436.db2.gz IZNPRIOHQAHXSX-IUCAKERBSA-N 2 0 210.325 1.116 20 0 BDADRP Cc1ncc([C@H](C)[NH2+]CC[C@H](C)[NH3+])c(C)n1 ZINC000622045750 370679457 /nfs/dbraw/zinc/67/94/57/370679457.db2.gz URIMPAJVIDWGFX-IUCAKERBSA-N 2 0 222.336 1.481 20 0 BDADRP CC[C@H](C(=O)Nc1ccn2ccnc2c1)[NH+](C)C ZINC000614275701 363768164 /nfs/dbraw/zinc/76/81/64/363768164.db2.gz NEKOQELYGJYPHX-LLVKDONJSA-N 2 0 246.314 1.613 20 0 BDADRP [NH3+]CCCOCCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000629539418 361404599 /nfs/dbraw/zinc/40/45/99/361404599.db2.gz QYJRRTWHMXUBNL-KGLIPLIRSA-N 2 0 249.358 1.086 20 0 BDADRP CC(C)C1CC([NH2+]CCOCCC[NH3+])C1 ZINC000629536359 361398923 /nfs/dbraw/zinc/39/89/23/361398923.db2.gz GOVVLZKMKLXALZ-UHFFFAOYSA-N 2 0 214.353 1.376 20 0 BDADRP Cc1noc(C)c1CC[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC000579353618 366767924 /nfs/dbraw/zinc/76/79/24/366767924.db2.gz GCMGXFRWCMGCEP-CYBMUJFWSA-N 2 0 237.347 1.423 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000579354352 366768200 /nfs/dbraw/zinc/76/82/00/366768200.db2.gz VMVXHFWXAAPOGD-GHMZBOCLSA-N 2 0 238.379 1.854 20 0 BDADRP CCC[C@H](C)[C@H](CO)[NH2+]C1CCN(CC)CC1 ZINC000579363969 366771146 /nfs/dbraw/zinc/77/11/46/366771146.db2.gz NNTHQUISDPFTPX-JSGCOSHPSA-N 2 0 242.407 1.857 20 0 BDADRP CC(C)(C)[C@H]1CC[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629539220 361403588 /nfs/dbraw/zinc/40/35/88/361403588.db2.gz OZRZGEXHHJDWTO-NWDGAFQWSA-N 2 0 228.380 1.766 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)C1CCSCC1 ZINC000629543876 361412664 /nfs/dbraw/zinc/41/26/64/361412664.db2.gz FHZQJXIXBLXNIG-JBLDHEPKSA-N 2 0 228.405 1.858 20 0 BDADRP CCN(CCO)CC[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000309907143 491158026 /nfs/dbraw/zinc/15/80/26/491158026.db2.gz KXRMICICJSFVFO-QWHCGFSZSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629540597 361414585 /nfs/dbraw/zinc/41/45/85/361414585.db2.gz VFBOYMSWFIDGGG-VXGBXAGGSA-N 2 0 228.380 1.766 20 0 BDADRP C[C@@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)[C@@H]1CCCC[NH2+]1 ZINC000629540174 361407210 /nfs/dbraw/zinc/40/72/10/361407210.db2.gz NUSKBDNUIIQICJ-LPWJVIDDSA-N 2 0 225.380 1.247 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629534899 361408965 /nfs/dbraw/zinc/40/89/65/361408965.db2.gz AYPSBOURKPZOCJ-STQMWFEESA-N 2 0 244.379 1.147 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc[nH]c1=O ZINC000629544702 361423107 /nfs/dbraw/zinc/42/31/07/361423107.db2.gz KGZBJRRWZNXICD-CMPLNLGQSA-N 2 0 235.331 1.394 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc[nH]c1=O ZINC000629544711 361423261 /nfs/dbraw/zinc/42/32/61/361423261.db2.gz KGZBJRRWZNXICD-ZYHUDNBSSA-N 2 0 235.331 1.394 20 0 BDADRP CN(CC[NH2+][C@H]1CCCCC[C@H]1[NH3+])CC(F)F ZINC000629556410 361450504 /nfs/dbraw/zinc/45/05/04/361450504.db2.gz PBMSGHQDXZATIX-MNOVXSKESA-N 2 0 249.349 1.433 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000629545047 361424290 /nfs/dbraw/zinc/42/42/90/361424290.db2.gz AMENRGXJWPAFKD-ZZVYKPCYSA-N 2 0 238.375 1.532 20 0 BDADRP CC[C@H](N[C@@H]1CO[C@@H](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000629547099 361430563 /nfs/dbraw/zinc/43/05/63/361430563.db2.gz JJMHWEGRRUUNEJ-XDQVBPFNSA-N 2 0 238.375 1.674 20 0 BDADRP CCO[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@H]1C[NH3+] ZINC000629547692 361431534 /nfs/dbraw/zinc/43/15/34/361431534.db2.gz LMEIIBVEJNHICC-CHWSQXEVSA-N 2 0 240.391 1.718 20 0 BDADRP C[N@@H+]1CCC[C@H]1CN[C@H]1CCCCC[C@H]1[NH3+] ZINC000629548113 361432797 /nfs/dbraw/zinc/43/27/97/361432797.db2.gz CXBHBOLGZQBFBY-XQQFMLRXSA-N 2 0 225.380 1.330 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000629555010 361436290 /nfs/dbraw/zinc/43/62/90/361436290.db2.gz PXRYQQCFCFMZGX-NDBYEHHHSA-N 2 0 226.364 1.519 20 0 BDADRP FCCC[C@H]1CCC[C@H]1[NH2+][C@@H]1CC[NH2+]C1 ZINC000629553190 361437410 /nfs/dbraw/zinc/43/74/10/361437410.db2.gz NLKILTPBWONLSC-IJLUTSLNSA-N 2 0 214.328 1.856 20 0 BDADRP CN1CCC[C@H]1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000629551811 361444495 /nfs/dbraw/zinc/44/44/95/361444495.db2.gz XSTVEHIHMGUNOC-DGAVXFQQSA-N 2 0 237.391 1.058 20 0 BDADRP CC[C@H](C)[C@H](C)[NH2+]CCOCCC[NH3+] ZINC000629542073 361418201 /nfs/dbraw/zinc/41/82/01/361418201.db2.gz XUJYXLKBWMLHQW-QWRGUYRKSA-N 2 0 202.342 1.376 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+]CCOCCC[NH3+])C1(C)C ZINC000629542511 361418885 /nfs/dbraw/zinc/41/88/85/361418885.db2.gz ZQBHZVNURAJEFY-NEPJUHHUSA-N 2 0 244.379 1.145 20 0 BDADRP CC[C@@H](C)C[N@H+](C)CCOCC[NH2+]C ZINC000629569354 361461638 /nfs/dbraw/zinc/46/16/38/361461638.db2.gz PVQXONGKHFZIGD-LLVKDONJSA-N 2 0 202.342 1.200 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000629572404 361463723 /nfs/dbraw/zinc/46/37/23/361463723.db2.gz RUZBSWOOZCYSAY-CLLJXQQHSA-N 2 0 226.364 1.200 20 0 BDADRP O[C@@H](C[NH2+]CCC1(F)CCC1)C[NH+]1CCCC1 ZINC000629581377 361471448 /nfs/dbraw/zinc/47/14/48/361471448.db2.gz YQBHGHQBLINTCC-LBPRGKRZSA-N 2 0 244.354 1.315 20 0 BDADRP CC[C@H]([NH2+]CCC[NH+](C)C)[C@@H]1CCOC1 ZINC000151948298 201188382 /nfs/dbraw/zinc/18/83/82/201188382.db2.gz AJPIRVXVIHYVEJ-NEPJUHHUSA-N 2 0 214.353 1.343 20 0 BDADRP Cn1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000629647231 361536269 /nfs/dbraw/zinc/53/62/69/361536269.db2.gz NONKBFWHJWHQJY-IHRRRGAJSA-N 2 0 233.359 1.584 20 0 BDADRP Cn1ccc(CNC[C@H]2CCCC[NH2+]2)c1 ZINC000629647730 361537688 /nfs/dbraw/zinc/53/76/88/361537688.db2.gz GRWIXSQDPTWGSC-GFCCVEGCSA-N 2 0 207.321 1.257 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]CC1=Cc2ccccc2OC1 ZINC000629648104 361539112 /nfs/dbraw/zinc/53/91/12/361539112.db2.gz OJEMDLCFOHLZJI-NSHDSACASA-N 2 0 232.327 1.647 20 0 BDADRP Cn1ccc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c1 ZINC000629649327 361544570 /nfs/dbraw/zinc/54/45/70/361544570.db2.gz PSMCCTCNMZXCEX-CMPLNLGQSA-N 2 0 207.321 1.242 20 0 BDADRP Cn1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000629649659 361546709 /nfs/dbraw/zinc/54/67/09/361546709.db2.gz YUGHTAHTZVGCDB-NEPJUHHUSA-N 2 0 207.321 1.385 20 0 BDADRP [NH3+]C1(C[NH2+]CC2=CCCOC2)CCCC1 ZINC000629650391 361548432 /nfs/dbraw/zinc/54/84/32/361548432.db2.gz TZISJIWWVZAYEH-UHFFFAOYSA-N 2 0 210.321 1.194 20 0 BDADRP C[C@H](C[NH2+]CC1([NH3+])CCOCC1)c1ccccc1 ZINC000629652986 361551174 /nfs/dbraw/zinc/55/11/74/361551174.db2.gz CYPOZABUBODHKM-CYBMUJFWSA-N 2 0 248.370 1.888 20 0 BDADRP C[C@@H]([NH2+]CCOCCC[NH3+])C1CCC1 ZINC000629677698 361600400 /nfs/dbraw/zinc/60/04/00/361600400.db2.gz DMBFDIRRUZYIKC-SNVBAGLBSA-N 2 0 200.326 1.130 20 0 BDADRP [NH3+]CCCOCC[NH2+]Cc1ccsc1Cl ZINC000629677709 361600879 /nfs/dbraw/zinc/60/08/79/361600879.db2.gz DUCYKGYICKQAGO-UHFFFAOYSA-N 2 0 248.779 1.857 20 0 BDADRP CCN(C[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]CC1 ZINC000435395515 201268823 /nfs/dbraw/zinc/26/88/23/201268823.db2.gz TUTIHUOZBYKCQA-ZIAGYGMSSA-N 2 0 239.407 1.450 20 0 BDADRP CC[N@H+](C[C@@H]1CCOC1)[C@H]1CCC[NH2+]CC1 ZINC000435626580 201279351 /nfs/dbraw/zinc/27/93/51/201279351.db2.gz OXKBLVGRDNFVGX-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]C2CCC([NH3+])CC2)c2ccccc21 ZINC000132085737 181342766 /nfs/dbraw/zinc/34/27/66/181342766.db2.gz BIWBCXLRUHKBDH-HBGGEXNNSA-N 3 0 245.370 1.991 20 0 BDADRP [NH3+]C1CCC([NH2+][C@H]2CCn3ccnc32)CC1 ZINC000329310508 181342858 /nfs/dbraw/zinc/34/28/58/181342858.db2.gz ZLLVEQLCWFFTHJ-ILDUYXDCSA-N 2 0 220.320 1.187 20 0 BDADRP CC(C)N(C)CC[NH2+][C@H](C)C1CCOCC1 ZINC000155794230 201352875 /nfs/dbraw/zinc/35/28/75/201352875.db2.gz GPVNXXCIZGPVIK-GFCCVEGCSA-N 2 0 228.380 1.731 20 0 BDADRP CC[C@H]([NH2+]CCn1ccnc1)[C@@H]1CCOC1 ZINC000155723942 201348892 /nfs/dbraw/zinc/34/88/92/201348892.db2.gz FHBVBRHBWPCOTB-NEPJUHHUSA-N 2 0 223.320 1.288 20 0 BDADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCC[NH3+])C[C@H]1C ZINC000437805156 201375460 /nfs/dbraw/zinc/37/54/60/201375460.db2.gz WPMVPJFGQRFIOX-IJLUTSLNSA-N 2 0 242.363 1.293 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[C@@H](C)O ZINC000387339107 363838532 /nfs/dbraw/zinc/83/85/32/363838532.db2.gz SZEHUAJAMZBNPR-DBIOUOCHSA-N 2 0 200.326 1.005 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(N)=[NH2+] ZINC000630387439 364101740 /nfs/dbraw/zinc/10/17/40/364101740.db2.gz PFNHCASMYODGPN-YPMHNXCESA-N 2 0 246.358 1.238 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](CO)C2)[C@@H]2CCC[C@H]21 ZINC000631670583 364203622 /nfs/dbraw/zinc/20/36/22/364203622.db2.gz BSZCCDXLUBVNHK-ZUWCUPBKSA-N 2 0 238.375 1.220 20 0 BDADRP CC[C@](C)([NH3+])c1cn(-c2cccc(C[NH3+])c2)nn1 ZINC000630607634 364333069 /nfs/dbraw/zinc/33/30/69/364333069.db2.gz LMNGGYSBRLPSAS-ZDUSSCGKSA-N 2 0 245.330 1.310 20 0 BDADRP [NH3+]CC1CC[NH+](CCC(F)(F)F)CC1 ZINC000060048081 181364848 /nfs/dbraw/zinc/36/48/48/181364848.db2.gz WEXNUMMSIPWAEW-UHFFFAOYSA-N 2 0 210.243 1.610 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2cccnc2Cl)CC1 ZINC000052709631 181365489 /nfs/dbraw/zinc/36/54/89/181365489.db2.gz PEYPDXGNOVGDQV-UHFFFAOYSA-N 2 0 239.750 1.906 20 0 BDADRP COC[C@H](N[C@@H]1CC[C@H](C)[NH2+]C1)C(C)C ZINC000399034782 364737128 /nfs/dbraw/zinc/73/71/28/364737128.db2.gz NYTGSNGTZSYPCK-TUAOUCFPSA-N 2 0 214.353 1.388 20 0 BDADRP CC[NH+]1CCC(N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000399077584 364780604 /nfs/dbraw/zinc/78/06/04/364780604.db2.gz QIBUXCFTASOVPX-WCQYABFASA-N 2 0 225.380 1.201 20 0 BDADRP [NH3+]CC1CC[NH+](C[C@H]2CCCC[C@@H]2O)CC1 ZINC000328198117 364816253 /nfs/dbraw/zinc/81/62/53/364816253.db2.gz RGDTZKNYUKMSPH-OLZOCXBDSA-N 2 0 226.364 1.208 20 0 BDADRP CC(C)(O)C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000573477567 364842506 /nfs/dbraw/zinc/84/25/06/364842506.db2.gz HSYYSOUUACDYSC-UHFFFAOYSA-N 2 0 226.364 1.364 20 0 BDADRP C[NH2+]C[C@H](C)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000573476125 364843170 /nfs/dbraw/zinc/84/31/70/364843170.db2.gz NGORFWIFHHSFLW-QWRGUYRKSA-N 2 0 249.358 1.178 20 0 BDADRP C[NH2+]C[C@H](C)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000573476126 364843295 /nfs/dbraw/zinc/84/32/95/364843295.db2.gz NGORFWIFHHSFLW-WDEREUQCSA-N 2 0 249.358 1.178 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000573685052 364892726 /nfs/dbraw/zinc/89/27/26/364892726.db2.gz DVPLVOSOEZHEDT-GARJFASQSA-N 2 0 249.358 1.562 20 0 BDADRP C(C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)[C@H]1CC[NH2+]C1 ZINC000335007726 541419476 /nfs/dbraw/zinc/41/94/76/541419476.db2.gz IQOXLROMUQNURM-KGLIPLIRSA-N 3 0 237.391 1.062 20 0 BDADRP [NH3+]CCCCNC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000302455507 181377500 /nfs/dbraw/zinc/37/75/00/181377500.db2.gz WELIPHIZTRPXNY-GFCCVEGCSA-N 2 0 241.379 1.139 20 0 BDADRP [NH3+]CCCN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000037038091 181381560 /nfs/dbraw/zinc/38/15/60/181381560.db2.gz KMAZINUGKUWEEW-UHFFFAOYSA-N 2 0 247.386 1.543 20 0 BDADRP C[C@]1(c2nc(C3([NH3+])CCCC3)no2)CC[NH2+]C1 ZINC000574451893 365064551 /nfs/dbraw/zinc/06/45/51/365064551.db2.gz SPBXLVGIZAWFQN-NSHDSACASA-N 2 0 236.319 1.049 20 0 BDADRP CC(C)(CC[NH3+])NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000574692836 365122664 /nfs/dbraw/zinc/12/26/64/365122664.db2.gz BMYBJOHSGUOIKC-UHFFFAOYSA-N 2 0 247.342 1.147 20 0 BDADRP Cc1ccc(CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)nc1 ZINC000574822632 365153753 /nfs/dbraw/zinc/15/37/53/365153753.db2.gz MOKKYJXCCJBTQT-JSGCOSHPSA-N 2 0 233.359 1.792 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000443064590 193013046 /nfs/dbraw/zinc/01/30/46/193013046.db2.gz YKAKGQXQHHUCOG-AWEZNQCLSA-N 3 0 239.407 1.437 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000172198231 365300238 /nfs/dbraw/zinc/30/02/38/365300238.db2.gz MAVGQAZEPRSWMW-STQMWFEESA-N 2 0 208.349 1.979 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000575748258 365350731 /nfs/dbraw/zinc/35/07/31/365350731.db2.gz DDQUCDULSBCJSS-IEBDPFPHSA-N 2 0 233.315 1.382 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000575748259 365351179 /nfs/dbraw/zinc/35/11/79/365351179.db2.gz DDQUCDULSBCJSS-INTQDDNPSA-N 2 0 233.315 1.382 20 0 BDADRP [NH3+]C1(c2noc([C@H]3CCC[NH2+]3)n2)CCCC1 ZINC000575748953 365352580 /nfs/dbraw/zinc/35/25/80/365352580.db2.gz SLOGEOLXOBISKG-MRVPVSSYSA-N 2 0 222.292 1.222 20 0 BDADRP CCn1ccnc1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000579567782 366872522 /nfs/dbraw/zinc/87/25/22/366872522.db2.gz FZPJOYJSSKCYGE-LBPRGKRZSA-N 2 0 236.363 1.382 20 0 BDADRP COC[C@H](C)C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000575850667 365383190 /nfs/dbraw/zinc/38/31/90/365383190.db2.gz NBZWLELWPLDBJG-VXGBXAGGSA-N 2 0 214.353 1.248 20 0 BDADRP COc1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cn1 ZINC000655827329 541482527 /nfs/dbraw/zinc/48/25/27/541482527.db2.gz SFSAZKNEBTXAAR-BETUJISGSA-N 2 0 249.358 1.520 20 0 BDADRP C[C@H]([NH2+]C1CC1)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000579950889 367098979 /nfs/dbraw/zinc/09/89/79/367098979.db2.gz ZZXINDTUWKADRP-VIFPVBQESA-N 2 0 245.326 1.369 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000580903461 367204303 /nfs/dbraw/zinc/20/43/03/367204303.db2.gz TWKHWTWNZSTCOA-LOWDOPEQSA-N 3 0 225.380 1.363 20 0 BDADRP CCCC[NH+]1CCC([NH2+]CC2(O)CCC2)CC1 ZINC000580947421 367213496 /nfs/dbraw/zinc/21/34/96/367213496.db2.gz CKYKQURYCRQWEE-UHFFFAOYSA-N 2 0 240.391 1.756 20 0 BDADRP CC[NH2+]CCC[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000581125273 367270469 /nfs/dbraw/zinc/27/04/69/367270469.db2.gz FHVHUXHKTLHIKD-UPJWGTAASA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H]1[C@H](C)OCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000380582975 367247059 /nfs/dbraw/zinc/24/70/59/367247059.db2.gz YFPRKHLIUSXLMD-WOPDTQHZSA-N 2 0 212.337 1.095 20 0 BDADRP CC[NH2+]CCCN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000581304487 367333569 /nfs/dbraw/zinc/33/35/69/367333569.db2.gz DXFVVZOCKKUBJB-VXGBXAGGSA-N 2 0 213.369 1.106 20 0 BDADRP CC1CC[NH+](C[C@H](O)C[NH2+]CC2(C)CC2)CC1 ZINC000581345912 367362938 /nfs/dbraw/zinc/36/29/38/367362938.db2.gz OUJSLWSIMUCMBC-CYBMUJFWSA-N 2 0 240.391 1.469 20 0 BDADRP COCC1(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CCC1 ZINC000381292587 367376068 /nfs/dbraw/zinc/37/60/68/367376068.db2.gz DUPSALBPMCIRMT-NWDGAFQWSA-N 2 0 226.364 1.663 20 0 BDADRP C[NH2+]C1CC[NH+](C[C@H]2CCCC[C@H]2O)CC1 ZINC000382077343 367483891 /nfs/dbraw/zinc/48/38/91/367483891.db2.gz UUUVECATBBWQJY-DGCLKSJQSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H]([NH3+])[C@H](C)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000581418798 367460566 /nfs/dbraw/zinc/46/05/66/367460566.db2.gz ZTLRDAWRPHTSSN-VHSXEESVSA-N 2 0 247.342 1.254 20 0 BDADRP C[C@H]([NH3+])[C@H](C)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000581418797 367460572 /nfs/dbraw/zinc/46/05/72/367460572.db2.gz ZTLRDAWRPHTSSN-UWVGGRQHSA-N 2 0 247.342 1.254 20 0 BDADRP CC[C@H](COC)[NH2+]CCC[NH2+]C1CC1 ZINC000382547906 367536216 /nfs/dbraw/zinc/53/62/16/367536216.db2.gz ATWRJOCMDBPDBO-SNVBAGLBSA-N 2 0 200.326 1.143 20 0 BDADRP C[NH2+]CCSCC[C@@H]1CCCC[N@@H+]1C ZINC000382643469 367549030 /nfs/dbraw/zinc/54/90/30/367549030.db2.gz GTSNYZPXDONOHQ-NSHDSACASA-N 2 0 216.394 1.813 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1CCC[NH3+] ZINC000382659669 367552308 /nfs/dbraw/zinc/55/23/08/367552308.db2.gz FEVWLZFFFQMOGT-CQSZACIVSA-N 2 0 247.386 1.542 20 0 BDADRP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(C(C)C)CC1 ZINC000581493700 367523487 /nfs/dbraw/zinc/52/34/87/367523487.db2.gz FHXQCKTVFZSALB-CYBMUJFWSA-N 2 0 228.380 1.325 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H](F)C1 ZINC000581608541 367631676 /nfs/dbraw/zinc/63/16/76/367631676.db2.gz TWXIBQOEABUBCI-ZDCRXTMVSA-N 2 0 200.301 1.737 20 0 BDADRP OCCC1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000383815234 367654353 /nfs/dbraw/zinc/65/43/53/367654353.db2.gz CUZSUAYLNDOPIH-UHFFFAOYSA-N 2 0 226.364 1.080 20 0 BDADRP C[C@@H]1CC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[NH2+]1 ZINC000399176053 367851290 /nfs/dbraw/zinc/85/12/90/367851290.db2.gz JUMAUHPUENDMIB-YIYPIFLZSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@@H]1CC[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C[NH2+]1 ZINC000399176056 367851559 /nfs/dbraw/zinc/85/15/59/367851559.db2.gz JUMAUHPUENDMIB-ZOBORPQBSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@@H]([NH2+][C@H](C)C(C)(C)C[NH+](C)C)[C@H](C)O ZINC000581879749 367863503 /nfs/dbraw/zinc/86/35/03/367863503.db2.gz XRIDDOYYIPFEFI-OUAUKWLOSA-N 2 0 216.369 1.322 20 0 BDADRP C[C@@H](NCC[NH+]1CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000386046897 367903923 /nfs/dbraw/zinc/90/39/23/367903923.db2.gz UNXRGQFXXIXMHC-ZIAGYGMSSA-N 2 0 239.407 1.593 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCOC1)[C@H]1CCCC[NH2+]1 ZINC000386091896 367910785 /nfs/dbraw/zinc/91/07/85/367910785.db2.gz IGVNRCQBDQLONM-QJPTWQEYSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1O)[C@@H]1CCCC[NH2+]1 ZINC000386028603 367900251 /nfs/dbraw/zinc/90/02/51/367900251.db2.gz QFXLAEPQVDCHGK-XDQVBPFNSA-N 2 0 240.391 1.658 20 0 BDADRP C[C@H](NCCC[NH+]1CCCC1)[C@H]1CCCC[NH2+]1 ZINC000386032797 367900346 /nfs/dbraw/zinc/90/03/46/367900346.db2.gz RBVPGQZAQCBAGJ-UONOGXRCSA-N 2 0 239.407 1.593 20 0 BDADRP CC[N@@H+]1CC[C@H](CN[C@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000386027233 367900449 /nfs/dbraw/zinc/90/04/49/367900449.db2.gz QAVVDMFQRATZKP-MCIONIFRSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H](NCC[NH+]1CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000386046896 367903250 /nfs/dbraw/zinc/90/32/50/367903250.db2.gz UNXRGQFXXIXMHC-UONOGXRCSA-N 2 0 239.407 1.593 20 0 BDADRP C[C@H](CN[C@@H](C)[C@H]1CCCC[NH2+]1)[NH+](C)C ZINC000386574144 367993408 /nfs/dbraw/zinc/99/34/08/367993408.db2.gz MPWSUOVKIHZFRU-GRYCIOLGSA-N 2 0 213.369 1.057 20 0 BDADRP C[C@H]([NH2+]CCCCCO)[C@@H]1CCCC[NH2+]1 ZINC000386580823 367997084 /nfs/dbraw/zinc/99/70/84/367997084.db2.gz OSOPVGPUDPUDOY-RYUDHWBXSA-N 2 0 214.353 1.269 20 0 BDADRP CC(C)OCCC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386618574 368003885 /nfs/dbraw/zinc/00/38/85/368003885.db2.gz XTXGILUEPMOFFA-STQMWFEESA-N 2 0 228.380 1.922 20 0 BDADRP CCC(CC)(CO)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386452901 367975963 /nfs/dbraw/zinc/97/59/63/367975963.db2.gz OEQAFBOGGIXYPJ-STQMWFEESA-N 2 0 242.407 1.905 20 0 BDADRP CC[NH+](CC)CCCN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386473280 367978243 /nfs/dbraw/zinc/97/82/43/367978243.db2.gz QUYONLNSMMMUEM-KBPBESRZSA-N 2 0 241.423 1.839 20 0 BDADRP CC[C@H]([NH2+][C@H](C)CCCC[NH3+])[C@H](C)O ZINC000387379360 368164288 /nfs/dbraw/zinc/16/42/88/368164288.db2.gz YMDQYIFGRYSHKS-VWYCJHECSA-N 2 0 202.342 1.253 20 0 BDADRP C[NH2+]CCC(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000566560545 326064350 /nfs/dbraw/zinc/06/43/50/326064350.db2.gz ZLPBBTLKEITYSL-SECBINFHSA-N 2 0 221.304 1.254 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000086402107 368879709 /nfs/dbraw/zinc/87/97/09/368879709.db2.gz UHNURHIVYYERQM-YNEHKIRRSA-N 2 0 225.380 1.330 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCC(F)(F)F)C1 ZINC000086404102 368880298 /nfs/dbraw/zinc/88/02/98/368880298.db2.gz IGXXCVZVMMIRID-HTQZYQBOSA-N 2 0 210.243 1.798 20 0 BDADRP OC1(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CCCC1 ZINC000087459860 368894411 /nfs/dbraw/zinc/89/44/11/368894411.db2.gz ZTFWISQTTQEWAV-LBPRGKRZSA-N 2 0 238.375 1.365 20 0 BDADRP C[N@@H+]1CCC[C@H](CN[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000084220979 368850110 /nfs/dbraw/zinc/85/01/10/368850110.db2.gz KOYWEZJWOHNORG-JHJVBQTASA-N 2 0 225.380 1.045 20 0 BDADRP Cc1nccnc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000631823813 368986038 /nfs/dbraw/zinc/98/60/38/368986038.db2.gz OJNSLMQIONPSEE-XQQFMLRXSA-N 2 0 246.358 1.344 20 0 BDADRP C[N@@H+]1CCCC[C@H](C[NH2+]CC2=CCCOC2)C1 ZINC000623655647 368991468 /nfs/dbraw/zinc/99/14/68/368991468.db2.gz BBHLJHBIVXEUAQ-CYBMUJFWSA-N 2 0 238.375 1.655 20 0 BDADRP C[C@@H]1C[N@H+](CCOCc2ccccc2)C[C@H]1C[NH3+] ZINC000631836568 369077491 /nfs/dbraw/zinc/07/74/91/369077491.db2.gz BRDXYKONKARCCD-UKRRQHHQSA-N 2 0 248.370 1.730 20 0 BDADRP C[NH2+]CCCN1CCC(C)([NH+]2CCCC2)CC1 ZINC000631836673 369088903 /nfs/dbraw/zinc/08/89/03/369088903.db2.gz DXHFJOJDEPIGDV-UHFFFAOYSA-N 2 0 239.407 1.546 20 0 BDADRP Cc1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)no1 ZINC000459524592 203296778 /nfs/dbraw/zinc/29/67/78/203296778.db2.gz UVWVNLVAXKLXOR-UHFFFAOYSA-N 2 0 249.358 1.947 20 0 BDADRP CC(C)CCOCC[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841831 369358512 /nfs/dbraw/zinc/35/85/12/369358512.db2.gz QPKXXJWCSCLMEJ-CHWSQXEVSA-N 2 0 228.380 1.576 20 0 BDADRP CN1CCC([NH2+]CC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000459741239 203349355 /nfs/dbraw/zinc/34/93/55/203349355.db2.gz VFLSDPKMYGVKIE-ZDUSSCGKSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CN1CCCC1CC[NH2+]CC1 ZINC000631861734 369469836 /nfs/dbraw/zinc/46/98/36/369469836.db2.gz HZGRMGKPHJJMHK-YPMHNXCESA-N 2 0 225.380 1.188 20 0 BDADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cscn2)C1 ZINC000459727985 203343751 /nfs/dbraw/zinc/34/37/51/203343751.db2.gz HWKHJAOBYPWATO-NSHDSACASA-N 2 0 239.388 1.965 20 0 BDADRP C[C@H]1C[C@H]([NH3+])CN1CCc1noc2ccccc21 ZINC000631862074 369474607 /nfs/dbraw/zinc/47/46/07/369474607.db2.gz LBINYFDVJVYGLQ-QWRGUYRKSA-N 2 0 245.326 1.792 20 0 BDADRP COC[C@@H](C)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459783434 203345439 /nfs/dbraw/zinc/34/54/39/203345439.db2.gz NDWKDOYFNMFGDC-VXGBXAGGSA-N 2 0 214.353 1.343 20 0 BDADRP Cn1ccnc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459734838 203347489 /nfs/dbraw/zinc/34/74/89/203347489.db2.gz OPJSYLQVXALIQN-LBPRGKRZSA-N 2 0 236.363 1.242 20 0 BDADRP COC[C@@H](C)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459783428 203366955 /nfs/dbraw/zinc/36/69/55/203366955.db2.gz NDWKDOYFNMFGDC-NEPJUHHUSA-N 2 0 214.353 1.343 20 0 BDADRP C[C@H](C[NH2+][C@H](C)C1CC1)N1CC[NH+](C)CC1 ZINC000165294360 203383303 /nfs/dbraw/zinc/38/33/03/203383303.db2.gz LOWUVMIPYYIYKH-VXGBXAGGSA-N 2 0 225.380 1.010 20 0 BDADRP CN(C[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C1CC1 ZINC000459794075 203369724 /nfs/dbraw/zinc/36/97/24/203369724.db2.gz WKUMNESDURCBIS-VZZFWQQMSA-N 2 0 238.375 1.220 20 0 BDADRP [NH3+]Cc1ccc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000262407679 181480599 /nfs/dbraw/zinc/48/05/99/181480599.db2.gz CBAKIKIGELKODW-STQMWFEESA-N 2 0 247.342 1.003 20 0 BDADRP Cc1noc(C)c1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252879102 370138566 /nfs/dbraw/zinc/13/85/66/370138566.db2.gz XPJKLPCOWUGVSN-FPMFFAJLSA-N 2 0 249.358 1.851 20 0 BDADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cscn2)CC1 ZINC000253133820 370149612 /nfs/dbraw/zinc/14/96/12/370149612.db2.gz QIIRWVLAUVSQMC-XYPYZODXSA-N 2 0 239.388 1.998 20 0 BDADRP CC1(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000309805193 370263105 /nfs/dbraw/zinc/26/31/05/370263105.db2.gz RZALYVBQYPKAIV-QJPTWQEYSA-N 2 0 208.349 1.846 20 0 BDADRP C[C@@H](O)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000309885099 370272164 /nfs/dbraw/zinc/27/21/64/370272164.db2.gz XRFCBWKWMYPXQO-YVECIDJPSA-N 2 0 226.364 1.220 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)C[C@@H]1CO ZINC000621372526 370311287 /nfs/dbraw/zinc/31/12/87/370311287.db2.gz XBEQLIWEWXGXTF-MCIONIFRSA-N 2 0 240.391 1.421 20 0 BDADRP CCn1ccnc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000311218271 370394445 /nfs/dbraw/zinc/39/44/45/370394445.db2.gz OCPPLVNRBWYBQS-BETUJISGSA-N 2 0 248.374 1.334 20 0 BDADRP C[NH+]1CCC(C[NH2+]Cc2ccc(CO)o2)CC1 ZINC000077897972 370496184 /nfs/dbraw/zinc/49/61/84/370496184.db2.gz QMKJIEMJOHACTJ-UHFFFAOYSA-N 2 0 238.331 1.203 20 0 BDADRP COCC1(CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000568415242 326356086 /nfs/dbraw/zinc/35/60/86/326356086.db2.gz MACQJSVTUHBRJM-NWDGAFQWSA-N 2 0 226.364 1.663 20 0 BDADRP CCn1cc(CC[NH+]2CCC(C[NH3+])CC2)cn1 ZINC000621774616 370521887 /nfs/dbraw/zinc/52/18/87/370521887.db2.gz YOEHJWBGTMAFGN-UHFFFAOYSA-N 2 0 236.363 1.116 20 0 BDADRP [NH3+][C@]12CCC[C@H]1C[N@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000621784477 370535384 /nfs/dbraw/zinc/53/53/84/370535384.db2.gz PNJUQRKJEWUDRJ-IHRRRGAJSA-N 3 0 237.391 1.189 20 0 BDADRP CN(CCC[NH+]1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000568632412 326369219 /nfs/dbraw/zinc/36/92/19/326369219.db2.gz QGTJBKVBFFBWSH-CYBMUJFWSA-N 2 0 225.380 1.156 20 0 BDADRP [NH3+]Cc1ccc(N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000568531910 326363980 /nfs/dbraw/zinc/36/39/80/326363980.db2.gz SRGBQRUWORTNMF-WCQYABFASA-N 2 0 219.332 1.827 20 0 BDADRP C[C@@H]1OCC[C@@H]1CN1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631890871 371096017 /nfs/dbraw/zinc/09/60/17/371096017.db2.gz UFEXHDAMKQVRMW-DGAVXFQQSA-N 2 0 238.375 1.485 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623823857 371108389 /nfs/dbraw/zinc/10/83/89/371108389.db2.gz NBRKPEBHVKVUNN-UPJWGTAASA-N 2 0 240.391 1.874 20 0 BDADRP CC(C)[C@H]([NH3+])CNC1CC[NH+](CC2CC2)CC1 ZINC000569090341 326389173 /nfs/dbraw/zinc/38/91/73/326389173.db2.gz GWRJRRMHZRGHBC-CQSZACIVSA-N 2 0 239.407 1.434 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000631057138 371182602 /nfs/dbraw/zinc/18/26/02/371182602.db2.gz YGYHNRQVMJIKOD-CYBMUJFWSA-N 2 0 249.358 1.607 20 0 BDADRP CCSCC[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000390757078 371232041 /nfs/dbraw/zinc/23/20/41/371232041.db2.gz INPZMJUHMQWGTH-UHFFFAOYSA-N 2 0 228.405 1.956 20 0 BDADRP COC[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)C1CC1 ZINC000624121568 371323604 /nfs/dbraw/zinc/32/36/04/371323604.db2.gz YCDAOMTVHCDZAJ-OCCSQVGLSA-N 2 0 240.391 1.733 20 0 BDADRP C[N@@H+]1CCCC[C@@H](C[NH2+][C@H]2COC(C)(C)C2)C1 ZINC000624124141 371324345 /nfs/dbraw/zinc/32/43/45/371324345.db2.gz YHYMGVRBLXJBCG-QWHCGFSZSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2C[C@@H](O)C2)CC1 ZINC000624218950 371407473 /nfs/dbraw/zinc/40/74/73/371407473.db2.gz GYNABKIVJPITQA-BJHJDKERSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@@H]([NH2+]Cc1ccc[nH]c1=O)C1CC[NH+](C)CC1 ZINC000624257971 371443439 /nfs/dbraw/zinc/44/34/39/371443439.db2.gz WVDBNIRHWBZLHM-LLVKDONJSA-N 2 0 249.358 1.607 20 0 BDADRP CO[C@H]1C[C@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000624297790 371463461 /nfs/dbraw/zinc/46/34/61/371463461.db2.gz FTKIMDYVAZGGAF-DRZSPHRISA-N 2 0 226.364 1.484 20 0 BDADRP CC(C)[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)C1CC1 ZINC000573108954 326430440 /nfs/dbraw/zinc/43/04/40/326430440.db2.gz NDIGGFJMSRLUJS-STQMWFEESA-N 2 0 226.364 1.389 20 0 BDADRP CSCCCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000229244627 372132086 /nfs/dbraw/zinc/13/20/86/372132086.db2.gz ZIYMFGMXFASHOI-GFCCVEGCSA-N 2 0 246.420 1.176 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000631666640 372492453 /nfs/dbraw/zinc/49/24/53/372492453.db2.gz GNYWTRUUYMDDCO-MGPQQGTHSA-N 2 0 242.407 1.857 20 0 BDADRP C[NH2+]CCC1CC[NH+](C[C@@H]2CCO[C@H]2C)CC1 ZINC000631824059 372601723 /nfs/dbraw/zinc/60/17/23/372601723.db2.gz VBQLKKPIVNWIDG-JSGCOSHPSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000631825480 372591808 /nfs/dbraw/zinc/59/18/08/372591808.db2.gz JZEIIXHJZPQYJK-TUAOUCFPSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@@H]1OCC[C@H]1C[NH+]1CCC(C[NH3+])CC1 ZINC000631821205 372595612 /nfs/dbraw/zinc/59/56/12/372595612.db2.gz RIYRUUKLEAHHIF-JQWIXIFHSA-N 2 0 212.337 1.082 20 0 BDADRP C[NH2+]CC1CC[NH+](C[C@@H]2CCO[C@@H]2C)CC1 ZINC000631821661 372597300 /nfs/dbraw/zinc/59/73/00/372597300.db2.gz FOBFOTQRXDSEBR-YPMHNXCESA-N 2 0 226.364 1.343 20 0 BDADRP C[C@H]1OCC[C@H]1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631828451 372609251 /nfs/dbraw/zinc/60/92/51/372609251.db2.gz PGVHPCOJPVSGSX-NDBYEHHHSA-N 2 0 226.364 1.328 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000631829656 372611519 /nfs/dbraw/zinc/61/15/19/372611519.db2.gz WZYAIWYTKQNGMI-RFGFWPKPSA-N 2 0 240.391 1.861 20 0 BDADRP C[C@H]1OCC[C@H]1C[NH+]1CCC(CC[NH3+])CC1 ZINC000631829772 372613112 /nfs/dbraw/zinc/61/31/12/372613112.db2.gz ZGBJEOROSSRNDD-YPMHNXCESA-N 2 0 226.364 1.472 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cccc(N)c2)C[C@H]1C[NH3+] ZINC000631838919 372634238 /nfs/dbraw/zinc/63/42/38/372634238.db2.gz XAGHLCJSYKFIPX-ZYHUDNBSSA-N 2 0 219.332 1.295 20 0 BDADRP CC[C@H](C)C[NH+]1CCC([NH2+]CCO)CC1 ZINC000631861797 372663515 /nfs/dbraw/zinc/66/35/15/372663515.db2.gz APJYXLUTJJHRBU-NSHDSACASA-N 2 0 214.353 1.079 20 0 BDADRP Nc1cccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631889691 372685243 /nfs/dbraw/zinc/68/52/43/372685243.db2.gz LOZCJTGBPAKXPT-DZGCQCFKSA-N 2 0 245.370 1.843 20 0 BDADRP CC[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000069016639 373105978 /nfs/dbraw/zinc/10/59/78/373105978.db2.gz MTIIVKRCWLHPJS-CHWSQXEVSA-N 2 0 240.391 1.828 20 0 BDADRP CC(C)(C)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000040493339 373330904 /nfs/dbraw/zinc/33/09/04/373330904.db2.gz OWHJWBSAKLLLJU-LLVKDONJSA-N 2 0 214.353 1.079 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC000414998168 205798872 /nfs/dbraw/zinc/79/88/72/205798872.db2.gz HZVDDDQBATYLPF-XJFOESAGSA-N 3 0 239.407 1.482 20 0 BDADRP Cc1cn[nH]c1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459777141 206016341 /nfs/dbraw/zinc/01/63/41/206016341.db2.gz KCNHDIMEWWGJIU-GFCCVEGCSA-N 2 0 236.363 1.540 20 0 BDADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)C1CCC1 ZINC000178415432 134310074 /nfs/dbraw/zinc/31/00/74/134310074.db2.gz OFVFOZZTGFWOBK-CYBMUJFWSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@@H]1COC[C@@H](C)[NH+]1CC1CC[NH2+]CC1 ZINC000178974779 134313963 /nfs/dbraw/zinc/31/39/63/134313963.db2.gz IEBGETRPCQVODL-GHMZBOCLSA-N 2 0 212.337 1.095 20 0 BDADRP OCC[N@@H+](Cc1ccccc1)CC1CC[NH2+]CC1 ZINC000132299896 183069884 /nfs/dbraw/zinc/06/98/84/183069884.db2.gz YOIHEWBBHKPKAO-UHFFFAOYSA-N 2 0 248.370 1.481 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@@]1(CC)CC[NH2+]C1 ZINC000368566765 169001882 /nfs/dbraw/zinc/00/18/82/169001882.db2.gz OSRSVOJNOSQWEH-YPMHNXCESA-N 2 0 241.379 1.010 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000236911083 169002193 /nfs/dbraw/zinc/00/21/93/169002193.db2.gz KIAKXBUTGAOGOX-DGCLKSJQSA-N 2 0 241.379 1.152 20 0 BDADRP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH+](CC)CC ZINC000352380134 169074274 /nfs/dbraw/zinc/07/42/74/169074274.db2.gz GWOKFDXFJZTBFM-LBPRGKRZSA-N 2 0 243.395 1.175 20 0 BDADRP CCC[N@H+](CCn1cccn1)C1CC[NH2+]CC1 ZINC000049326171 169170186 /nfs/dbraw/zinc/17/01/86/169170186.db2.gz FBLAVVBGIOUBGO-UHFFFAOYSA-N 2 0 236.363 1.347 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H](C)CCC[NH3+])CC1 ZINC000336652774 169189112 /nfs/dbraw/zinc/18/91/12/169189112.db2.gz JAOPWBFRRLYORV-GFCCVEGCSA-N 3 0 227.396 1.578 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H](COC)C2CC2)CC1 ZINC000126066049 169189767 /nfs/dbraw/zinc/18/97/67/169189767.db2.gz SRGLHZSJQBNEJD-CQSZACIVSA-N 2 0 240.391 1.875 20 0 BDADRP c1c[nH]c([C@@H]2CCC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)n1 ZINC000336495842 183326630 /nfs/dbraw/zinc/32/66/30/183326630.db2.gz NXTMTGNPGYLGME-QWHCGFSZSA-N 3 0 248.374 1.589 20 0 BDADRP CCC[NH+]1CCN(CC[NH2+]C(C)(C)C)CC1 ZINC000042302494 169202530 /nfs/dbraw/zinc/20/25/30/169202530.db2.gz CCRMAGBBZXDZQZ-UHFFFAOYSA-N 2 0 227.396 1.402 20 0 BDADRP CCC[NH+]1CCN(C[C@@H]([NH3+])CC(C)C)CC1 ZINC000020073770 169203751 /nfs/dbraw/zinc/20/37/51/169203751.db2.gz RBTISLLEJXSJLP-ZDUSSCGKSA-N 2 0 227.396 1.387 20 0 BDADRP c1[nH]nc2c1cccc2C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359453321 183348406 /nfs/dbraw/zinc/34/84/06/183348406.db2.gz DFKALTMACCKGEA-STQMWFEESA-N 2 0 242.326 1.214 20 0 BDADRP c1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c[nH]1 ZINC000278551795 183349926 /nfs/dbraw/zinc/34/99/26/183349926.db2.gz ZDXUDFCNKFVHOB-UHFFFAOYSA-N 2 0 233.359 1.979 20 0 BDADRP C[NH2+]CCCC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000178817679 134315532 /nfs/dbraw/zinc/31/55/32/134315532.db2.gz OTSNHRXJCQMHIP-NSHDSACASA-N 2 0 243.395 1.079 20 0 BDADRP CCC[C@@H]([NH3+])C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000037001332 169390689 /nfs/dbraw/zinc/39/06/89/169390689.db2.gz JTMOWPVPXGWPLH-NWDGAFQWSA-N 2 0 243.395 1.206 20 0 BDADRP CCn1nccc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000345154644 383842414 /nfs/dbraw/zinc/84/24/14/383842414.db2.gz AGACSRJJTYSHJM-UHFFFAOYSA-N 2 0 234.347 1.255 20 0 BDADRP C[C@H](NCCC[NH+](C)C)c1cnccn1 ZINC000070024592 383856431 /nfs/dbraw/zinc/85/64/31/383856431.db2.gz LNLVZQXVKLWYLZ-JTQLQIEISA-N 2 0 208.309 1.079 20 0 BDADRP C[N@@H+](Cc1cccnc1)CC1CC[NH2+]CC1 ZINC000036771403 383909759 /nfs/dbraw/zinc/90/97/59/383909759.db2.gz KQZVJTSAKLXTHW-UHFFFAOYSA-N 2 0 219.332 1.513 20 0 BDADRP CC[C@H](O)[C@H](CC)[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000313123522 383913197 /nfs/dbraw/zinc/91/31/97/383913197.db2.gz WHNMLOCYQVGGBQ-IMIFBBOLSA-N 2 0 240.391 1.751 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000643541196 383882794 /nfs/dbraw/zinc/88/27/94/383882794.db2.gz RZVSZPDIODDBAU-MQYQWHSLSA-N 3 0 239.407 1.482 20 0 BDADRP CC[C@](C)(C[NH3+])c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000647148030 383888877 /nfs/dbraw/zinc/88/88/77/383888877.db2.gz DJURQPFHRYBSOF-GZMMTYOYSA-N 2 0 224.308 1.121 20 0 BDADRP CC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000643542536 383978988 /nfs/dbraw/zinc/97/89/88/383978988.db2.gz VBQZDQYLXZRHEP-JHJVBQTASA-N 2 0 226.364 1.533 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000518515546 383974126 /nfs/dbraw/zinc/97/41/26/383974126.db2.gz BSVGLIXLEWNVFT-AHPWVWPOSA-N 3 0 239.407 1.719 20 0 BDADRP [NH3+]CC12CCC(CC1)CN2CC[C@@H]1CC[NH2+]C1 ZINC000518562301 384019912 /nfs/dbraw/zinc/01/99/12/384019912.db2.gz FIVJQOOIVOLPDR-HSBZDZAISA-N 3 0 237.391 1.189 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[NH2+]C2)C1 ZINC000643545436 384008917 /nfs/dbraw/zinc/00/89/17/384008917.db2.gz UCILWVBNVLATRL-YNEHKIRRSA-N 2 0 226.364 1.676 20 0 BDADRP CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000305123178 384013352 /nfs/dbraw/zinc/01/33/52/384013352.db2.gz KGHWGXXFLOSPLK-IGQOVBAYSA-N 2 0 242.407 1.713 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643545782 384013792 /nfs/dbraw/zinc/01/37/92/384013792.db2.gz CGPCTHDVJFXODK-TUAOUCFPSA-N 2 0 226.364 1.674 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+]CCC2=CC[NH2+]CC2)C1 ZINC000643545621 384015114 /nfs/dbraw/zinc/01/51/14/384015114.db2.gz PBGFOGRCYKRASD-ZIAGYGMSSA-N 2 0 238.375 1.843 20 0 BDADRP [NH3+]C1(c2nc([C@H]3CCC[NH2+]3)no2)CCCCC1 ZINC000647156590 384041940 /nfs/dbraw/zinc/04/19/40/384041940.db2.gz GGZHMKAVSRWJIM-SECBINFHSA-N 2 0 236.319 1.612 20 0 BDADRP Cc1cnn(CC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000235953425 384076093 /nfs/dbraw/zinc/07/60/93/384076093.db2.gz NBDANIIJACYZSB-QWHCGFSZSA-N 2 0 236.363 1.299 20 0 BDADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CCc1cncn1C ZINC000530460169 384077495 /nfs/dbraw/zinc/07/74/95/384077495.db2.gz PFGLNGXLROXQRL-RISCZKNCSA-N 3 0 248.374 1.035 20 0 BDADRP c1ccc(C[NH2+]CCC[NH2+]C2CC2)cc1 ZINC000040409817 384151918 /nfs/dbraw/zinc/15/19/18/384151918.db2.gz WCMWQUBEGZSQGY-UHFFFAOYSA-N 2 0 204.317 1.918 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000305287233 384165046 /nfs/dbraw/zinc/16/50/46/384165046.db2.gz DBNPCGQTBCZYEG-REWJHTLYSA-N 2 0 240.391 1.610 20 0 BDADRP Cn1cncc1CC[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000401874188 384187516 /nfs/dbraw/zinc/18/75/16/384187516.db2.gz MJQOTGKXNKWGEW-LLVKDONJSA-N 2 0 237.347 1.510 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000082474634 384232313 /nfs/dbraw/zinc/23/23/13/384232313.db2.gz SNBGEDUISMYCSL-QWRGUYRKSA-N 2 0 212.337 1.082 20 0 BDADRP COC[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)C1CC1 ZINC000397236420 384234581 /nfs/dbraw/zinc/23/45/81/384234581.db2.gz IWHMCUAWWNBIRM-NWDGAFQWSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCn2ccnc2C1)c1ncc[nH]1 ZINC000560548387 384216999 /nfs/dbraw/zinc/21/69/99/384216999.db2.gz NURFOZIACBGBDJ-ZJUUUORDSA-N 2 0 231.303 1.272 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc(O)c3)C[C@H]21 ZINC000228535591 384274175 /nfs/dbraw/zinc/27/41/75/384274175.db2.gz NYESHHZTXMSUHL-BPLDGKMQSA-N 2 0 246.354 1.951 20 0 BDADRP CCOCCC[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000083550004 384311415 /nfs/dbraw/zinc/31/14/15/384311415.db2.gz LKMILVFJQVWZPX-LLVKDONJSA-N 2 0 214.353 1.472 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCOC(C)C)C1 ZINC000173921960 384288553 /nfs/dbraw/zinc/28/85/53/384288553.db2.gz UBOYXHDSIFYJKC-ZDUSSCGKSA-N 2 0 228.380 1.685 20 0 BDADRP Cc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cn1 ZINC000228859963 384346437 /nfs/dbraw/zinc/34/64/37/384346437.db2.gz JKJUWQZSVRBYSR-YPMHNXCESA-N 2 0 219.332 1.559 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCC(C)CC2)CO1 ZINC000401973427 384360302 /nfs/dbraw/zinc/36/03/02/384360302.db2.gz PUGDZXPGJXFDDG-ZIAGYGMSSA-N 2 0 240.391 1.875 20 0 BDADRP CSCC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000172629499 384391902 /nfs/dbraw/zinc/39/19/02/384391902.db2.gz NKENRNHYCOCTDA-NSHDSACASA-N 2 0 216.394 1.623 20 0 BDADRP C[N@H+](CC[C@H]1CC[NH2+]C1)C[C@@H]1CCCO1 ZINC000084385153 384392361 /nfs/dbraw/zinc/39/23/61/384392361.db2.gz ACHTYNPLBYCOLM-NEPJUHHUSA-N 2 0 212.337 1.097 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CC[C@@H](CO)C2)[C@H](C)C1 ZINC000449430543 384395531 /nfs/dbraw/zinc/39/55/31/384395531.db2.gz XTZRRXDPPUKQCH-YIYPIFLZSA-N 2 0 240.391 1.467 20 0 BDADRP Cc1ncc([C@H](C)[NH2+]CC2CC[NH2+]CC2)c(C)n1 ZINC000566088444 384396688 /nfs/dbraw/zinc/39/66/88/384396688.db2.gz ORENZRPNYRUGNM-JTQLQIEISA-N 2 0 248.374 1.744 20 0 BDADRP Cn1c(Cl)cnc1C[NH2+]CCCC[NH+](C)C ZINC000045698406 384403125 /nfs/dbraw/zinc/40/31/25/384403125.db2.gz YTIDBUQLDIXIMA-UHFFFAOYSA-N 2 0 244.770 1.505 20 0 BDADRP COCC[N@H+](C[C@@]1(C)CC[NH2+]C1)C1CCCC1 ZINC000647513823 384426333 /nfs/dbraw/zinc/42/63/33/384426333.db2.gz HRUIEVFYUIXYBO-AWEZNQCLSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@H]1OCC[C@H]1[NH2+]CC(C)(C)C[NH+](C)C ZINC000096033411 384423907 /nfs/dbraw/zinc/42/39/07/384423907.db2.gz QXZOUSARSUBJQP-GHMZBOCLSA-N 2 0 214.353 1.341 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@H]1CCO[C@H]1C ZINC000096033402 384424181 /nfs/dbraw/zinc/42/41/81/384424181.db2.gz SXUCXWPDDGONGB-RYUDHWBXSA-N 2 0 214.353 1.485 20 0 BDADRP c1cc2cc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)ccc2[nH]1 ZINC000628191172 384452066 /nfs/dbraw/zinc/45/20/66/384452066.db2.gz BMCCACMREPQQGB-OKILXGFUSA-N 2 0 241.338 1.819 20 0 BDADRP CC[NH+](CC)CC(=O)NCC[N@H+](CC)C(C)C ZINC000102479701 384474389 /nfs/dbraw/zinc/47/43/89/384474389.db2.gz WZNGPDMZUCPEFS-UHFFFAOYSA-N 2 0 243.395 1.175 20 0 BDADRP COCC(COC)[NH2+]Cc1cccc2nccn21 ZINC000449547222 384503461 /nfs/dbraw/zinc/50/34/61/384503461.db2.gz XKFGYDHWIQUMDI-UHFFFAOYSA-N 2 0 249.314 1.085 20 0 BDADRP COCCCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150785188 384506547 /nfs/dbraw/zinc/50/65/47/384506547.db2.gz ISHDKPSJLSTFEK-AWEZNQCLSA-N 2 0 240.391 1.831 20 0 BDADRP Cc1cc(N2CCC[C@@H]([C@H](C)[NH3+])C2)cc[nH+]1 ZINC000229518001 384548985 /nfs/dbraw/zinc/54/89/85/384548985.db2.gz KDIQFKPAYFPIIX-NWDGAFQWSA-N 2 0 219.332 1.954 20 0 BDADRP Cc1nnsc1CN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000309726443 384559676 /nfs/dbraw/zinc/55/96/76/384559676.db2.gz DFBIQUVJLWTMFE-SCZZXKLOSA-N 2 0 240.376 1.419 20 0 BDADRP C[C@H](C[NH2+][C@H]1CCOC(C)(C)C1)C[NH+](C)C ZINC000309731390 384569528 /nfs/dbraw/zinc/56/95/28/384569528.db2.gz FGXMIQTZSVRTDE-NEPJUHHUSA-N 2 0 228.380 1.731 20 0 BDADRP CCN1C[C@@H](C)[C@H]([NH2+]C[C@H]2CCCC[C@@H]2O)C1 ZINC000449578365 384581723 /nfs/dbraw/zinc/58/17/23/384581723.db2.gz LAQQRFXBLLFFNY-SYQHCUMBSA-N 2 0 240.391 1.467 20 0 BDADRP c1cc(CCCN2CC[C@H]3CC[NH2+][C@H]3C2)ccn1 ZINC000643065149 384586860 /nfs/dbraw/zinc/58/68/60/384586860.db2.gz YYNHSROEHLSKOU-CABCVRRESA-N 2 0 245.370 1.698 20 0 BDADRP CCN(CCO)CC[NH2+]C/C=C/c1ccccc1 ZINC000184543758 384618516 /nfs/dbraw/zinc/61/85/16/384618516.db2.gz XBOSUCJIRHVCTG-RMKNXTFCSA-N 2 0 248.370 1.604 20 0 BDADRP CC[NH+](CC)CCCNCc1ccc(CO)o1 ZINC000081546855 384623000 /nfs/dbraw/zinc/62/30/00/384623000.db2.gz YIVARIQYMPHODV-UHFFFAOYSA-N 2 0 240.347 1.593 20 0 BDADRP CCC[C@H](C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])OC ZINC000356330622 384626752 /nfs/dbraw/zinc/62/67/52/384626752.db2.gz HFNBAKSHSHIHFA-YNEHKIRRSA-N 2 0 228.380 1.909 20 0 BDADRP Cc1nccc(N2CC[NH+](C3CCCC3)CC2)n1 ZINC000172822314 384629824 /nfs/dbraw/zinc/62/98/24/384629824.db2.gz WYTRMFNHDFTKHH-UHFFFAOYSA-N 2 0 246.358 1.850 20 0 BDADRP CC[C@H](CO)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000020194513 384593133 /nfs/dbraw/zinc/59/31/33/384593133.db2.gz FUIAQUYIFPIXHC-LLVKDONJSA-N 2 0 214.353 1.220 20 0 BDADRP C1=CCN(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000355569183 384599970 /nfs/dbraw/zinc/59/99/70/384599970.db2.gz QISSATSEUZNSFC-CABCVRRESA-N 2 0 249.402 1.465 20 0 BDADRP C(COCC1CC1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000232459347 259655244 /nfs/dbraw/zinc/65/52/44/259655244.db2.gz WLLNJHXYWRRCJU-GFCCVEGCSA-N 2 0 212.337 1.145 20 0 BDADRP Cc1ncc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)s1 ZINC000086403502 384644953 /nfs/dbraw/zinc/64/49/53/384644953.db2.gz XZJVRBZQODGJKE-UWVGGRQHSA-N 2 0 225.361 1.811 20 0 BDADRP COC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)C(C)C ZINC000086404590 384645582 /nfs/dbraw/zinc/64/55/82/384645582.db2.gz JKKJLQBGOXCGQW-TUAOUCFPSA-N 2 0 214.353 1.517 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000356705407 384651934 /nfs/dbraw/zinc/65/19/34/384651934.db2.gz WKWLVSPXICMERW-RWMBFGLXSA-N 2 0 244.379 1.288 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@H]2CO[C@H](C)C2)CC1 ZINC000335426464 384724107 /nfs/dbraw/zinc/72/41/07/384724107.db2.gz WGXTVWAALREZMZ-DGCLKSJQSA-N 2 0 226.364 1.626 20 0 BDADRP C[N@H+]1CC=C(C[NH2+]CC[C@@H]2CCOC2)CC1 ZINC000309678204 384725108 /nfs/dbraw/zinc/72/51/08/384725108.db2.gz YPJUAKSTNSXSAV-CYBMUJFWSA-N 2 0 224.348 1.265 20 0 BDADRP C[C@H](O)CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000309885090 384691266 /nfs/dbraw/zinc/69/12/66/384691266.db2.gz XRFCBWKWMYPXQO-LOWDOPEQSA-N 2 0 226.364 1.220 20 0 BDADRP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)[C@H](C)[NH3+] ZINC000449604759 384693364 /nfs/dbraw/zinc/69/33/64/384693364.db2.gz UPEILVXZBCFEJI-QJPTWQEYSA-N 2 0 241.379 1.103 20 0 BDADRP CC(C)CCC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000336661430 384698592 /nfs/dbraw/zinc/69/85/92/384698592.db2.gz CCYYFKCLCVCEQI-QWHCGFSZSA-N 2 0 210.365 1.964 20 0 BDADRP [NH3+]CCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543236 384711996 /nfs/dbraw/zinc/71/19/96/384711996.db2.gz JTMPWXFWGRHZDY-STQMWFEESA-N 3 0 225.380 1.047 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](CCc2ccncc2)C1 ZINC000173891964 384730981 /nfs/dbraw/zinc/73/09/81/384730981.db2.gz JCKBDXFKGDVBCU-OAHLLOKOSA-N 2 0 247.386 1.898 20 0 BDADRP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CCCCN1 ZINC000647546232 384731537 /nfs/dbraw/zinc/73/15/37/384731537.db2.gz GEWQWGFMUPTGCZ-REWJHTLYSA-N 2 0 237.391 1.106 20 0 BDADRP Nc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cn1 ZINC000647546616 384732573 /nfs/dbraw/zinc/73/25/73/384732573.db2.gz RZGOXJCRAFEFEO-NWDGAFQWSA-N 2 0 234.347 1.101 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000647546571 384734557 /nfs/dbraw/zinc/73/45/57/384734557.db2.gz PWPMNEZCKJYVLB-IACUBPJLSA-N 2 0 233.359 1.274 20 0 BDADRP C[NH2+]Cc1ccc(N[C@@H]2C[NH2+]C[C@H](C)C2)cc1 ZINC000647547368 384737568 /nfs/dbraw/zinc/73/75/68/384737568.db2.gz UOWVABMYGWBDGR-RISCZKNCSA-N 2 0 233.359 1.816 20 0 BDADRP Cc1ccc(NC(=O)[C@@H](C)C[NH3+])c(C)n1 ZINC000087151923 384743118 /nfs/dbraw/zinc/74/31/18/384743118.db2.gz GUHFEXNCIQFCPZ-ZETCQYMHSA-N 2 0 207.277 1.232 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647547975 384750049 /nfs/dbraw/zinc/75/00/49/384750049.db2.gz PVEMUZNETBMGDM-YVECIDJPSA-N 3 0 225.380 1.092 20 0 BDADRP C[C@@]1(CN[C@@H]2CC[NH2+]C3(CCC3)C2)CC[NH2+]C1 ZINC000647548218 384750105 /nfs/dbraw/zinc/75/01/05/384750105.db2.gz ZONFGWLCVXAUNP-CHWSQXEVSA-N 2 0 237.391 1.250 20 0 BDADRP C[C@H]1CNC[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000647547988 384750266 /nfs/dbraw/zinc/75/02/66/384750266.db2.gz QJUBRCGVHQUSTI-AAVRWANBSA-N 2 0 239.407 1.339 20 0 BDADRP C1[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C12CC[NH2+]CC2 ZINC000647548178 384750375 /nfs/dbraw/zinc/75/03/75/384750375.db2.gz XXAJIYIRKPVXIF-DGAVXFQQSA-N 3 0 249.402 1.106 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCCOC2)CC1 ZINC000309974942 384755983 /nfs/dbraw/zinc/75/59/83/384755983.db2.gz RYTRIOGSDLRLIY-OTTFEQOBSA-N 2 0 226.364 1.628 20 0 BDADRP C[C@H](NC[C@@H](O)C[N@H+](C)C1CC1)c1ccccn1 ZINC000289577377 384756521 /nfs/dbraw/zinc/75/65/21/384756521.db2.gz QYODYHTUBKFYCQ-WCQYABFASA-N 2 0 249.358 1.187 20 0 BDADRP C[C@H]1CNC[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC000647552121 384758306 /nfs/dbraw/zinc/75/83/06/384758306.db2.gz GRFMCPRHQLEITN-ZIHBUVQPSA-N 2 0 239.407 1.447 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@H]1CC[NH2+]C12CCCC2 ZINC000647554109 384772117 /nfs/dbraw/zinc/77/21/17/384772117.db2.gz RAAARWDFPBFJLE-STQMWFEESA-N 2 0 239.407 1.624 20 0 BDADRP CC[N@H+](C)CCNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000054133204 384820705 /nfs/dbraw/zinc/82/07/05/384820705.db2.gz XEIUFJSTRUHBKB-ZDUSSCGKSA-N 2 0 249.358 1.144 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@H]2CCC[C@H]2C[NH3+])O1 ZINC000398163899 384822527 /nfs/dbraw/zinc/82/25/27/384822527.db2.gz LTAYRMMKXPPLGP-KXNHARMFSA-N 2 0 212.337 1.271 20 0 BDADRP Cc1ccsc1C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000335107280 384823046 /nfs/dbraw/zinc/82/30/46/384823046.db2.gz BZHZVIRPEIQAIE-UHFFFAOYSA-N 2 0 240.372 1.342 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)O1 ZINC000398160476 384824220 /nfs/dbraw/zinc/82/42/20/384824220.db2.gz VVIVFYSOCAKMKF-ODXJTPSBSA-N 2 0 240.391 1.872 20 0 BDADRP CC(C)[C@H]([NH3+])CC(=O)NCc1ccc(C[NH3+])cc1 ZINC000648202401 384825536 /nfs/dbraw/zinc/82/55/36/384825536.db2.gz GSISNTSSCABRMD-CYBMUJFWSA-N 2 0 249.358 1.135 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CCCSC1)C[NH+](C)C ZINC000308588396 384826777 /nfs/dbraw/zinc/82/67/77/384826777.db2.gz UATZGVUMTMKDEV-GHMZBOCLSA-N 2 0 216.394 1.669 20 0 BDADRP C[NH+](C)CC1CC[NH+](CCCCO)CC1 ZINC000042396058 384791381 /nfs/dbraw/zinc/79/13/81/384791381.db2.gz RPVHKEBOMMVSSY-UHFFFAOYSA-N 2 0 214.353 1.033 20 0 BDADRP CCC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000449670462 384876708 /nfs/dbraw/zinc/87/67/08/384876708.db2.gz XLBUDFCCNQYYQO-GFCCVEGCSA-N 2 0 233.315 1.356 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CCC(C)(C)O ZINC000308643088 384886647 /nfs/dbraw/zinc/88/66/47/384886647.db2.gz FCPPUGXAEHFMQL-JTQLQIEISA-N 2 0 202.342 1.255 20 0 BDADRP CC(C)n1nccc1CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000335165686 384848749 /nfs/dbraw/zinc/84/87/49/384848749.db2.gz HFMPFIPQKLVXLD-OLZOCXBDSA-N 2 0 248.374 1.505 20 0 BDADRP COC[C@]1(C[NH2+][C@@H]2CC[C@H]2C(C)C)CCC[NH2+]1 ZINC000423410265 384856771 /nfs/dbraw/zinc/85/67/71/384856771.db2.gz CXGAIQPDWPYKSN-BFHYXJOUSA-N 2 0 240.391 1.779 20 0 BDADRP COC[C@]1(C[NH2+][C@H]2CC[C@@H]2C2CC2)CCC[NH2+]1 ZINC000423414727 384859796 /nfs/dbraw/zinc/85/97/96/384859796.db2.gz NSCSREZGYRYKPG-HZSPNIEDSA-N 2 0 238.375 1.533 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCc2nccs2)CC[N@@H+]1C ZINC000127840063 384953860 /nfs/dbraw/zinc/95/38/60/384953860.db2.gz IPLFDPLRWVTZTH-GHMZBOCLSA-N 2 0 239.388 1.758 20 0 BDADRP Cc1ccc(CNC[C@H]2C[NH2+]CCN2C)cc1C ZINC000258957689 384954817 /nfs/dbraw/zinc/95/48/17/384954817.db2.gz RLGKMFRCYPIZNQ-OAHLLOKOSA-N 2 0 247.386 1.297 20 0 BDADRP Cc1ccccc1C[NH2+]CCCN1CC[NH2+]CC1 ZINC000258994694 384955267 /nfs/dbraw/zinc/95/52/67/384955267.db2.gz YAJUKBBQKKCDFZ-UHFFFAOYSA-N 2 0 247.386 1.380 20 0 BDADRP C[C@H]([NH2+]CCCOC(F)F)[C@@H]1CCCC[NH2+]1 ZINC000398294710 384893735 /nfs/dbraw/zinc/89/37/35/384893735.db2.gz BZFIYTNOPOSMOC-UWVGGRQHSA-N 2 0 236.306 1.736 20 0 BDADRP CC(C)C[C@H]([NH3+])c1noc(CCC(C)(C)[NH3+])n1 ZINC000647129884 384905248 /nfs/dbraw/zinc/90/52/48/384905248.db2.gz HUQNMAMRUFJFCG-VIFPVBQESA-N 2 0 240.351 1.785 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCOC[C@H]2C)C1 ZINC000306016298 384918940 /nfs/dbraw/zinc/91/89/40/384918940.db2.gz RYPDKCRVIWFVOZ-MGPQQGTHSA-N 2 0 240.391 1.731 20 0 BDADRP CC(C)[C@H]1C[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)CCO1 ZINC000310238942 384924742 /nfs/dbraw/zinc/92/47/42/384924742.db2.gz LFJCDPTYELTWFZ-HZSPNIEDSA-N 2 0 242.407 1.977 20 0 BDADRP C[C@H]([NH3+])CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000257742235 384925318 /nfs/dbraw/zinc/92/53/18/384925318.db2.gz CCFKBYVPZMWFJW-QWHCGFSZSA-N 2 0 225.380 1.284 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCc1cccc(F)c1 ZINC000259026921 384959548 /nfs/dbraw/zinc/95/95/48/384959548.db2.gz OOSWRNXEAWWVHD-STQMWFEESA-N 2 0 222.307 1.838 20 0 BDADRP C[C@H](O)CC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000257771798 384928958 /nfs/dbraw/zinc/92/89/58/384928958.db2.gz NUDXLNCMMHYRMG-RYUDHWBXSA-N 2 0 214.353 1.173 20 0 BDADRP CC[C@H]1CN(Cc2ccns2)CC[C@@H]1[NH3+] ZINC000404490547 385021268 /nfs/dbraw/zinc/02/12/68/385021268.db2.gz IETAHXQVHQCYAU-ONGXEEELSA-N 2 0 225.361 1.702 20 0 BDADRP CC(C)CC[C@H](O)C[NH2+][C@H](C)CC[NH+](C)C ZINC000644562847 384969736 /nfs/dbraw/zinc/96/97/36/384969736.db2.gz CWUVASKADDMOTA-OLZOCXBDSA-N 2 0 230.396 1.713 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCOCC1CCC1 ZINC000518360346 384978035 /nfs/dbraw/zinc/97/80/35/384978035.db2.gz VOTNWWAODCMYJH-KBPBESRZSA-N 2 0 240.391 1.910 20 0 BDADRP Cc1ccc2c(c1)[C@H]([NH2+]CCC[NH3+])CC2 ZINC000129362483 384997310 /nfs/dbraw/zinc/99/73/10/384997310.db2.gz BQNUTGBRWQQFPI-CYBMUJFWSA-N 2 0 204.317 1.921 20 0 BDADRP CCSCCC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000300859098 385002451 /nfs/dbraw/zinc/00/24/51/385002451.db2.gz CFKRPGOMTFYIQR-QWRGUYRKSA-N 2 0 216.394 1.847 20 0 BDADRP C[NH2+]CCC1CC[NH+](Cc2ccns2)CC1 ZINC000404459662 385003008 /nfs/dbraw/zinc/00/30/08/385003008.db2.gz ZGMNPYLTBQMFFZ-UHFFFAOYSA-N 2 0 239.388 1.965 20 0 BDADRP COc1ccc(CN2CC[C@@](C)(C[NH3+])C2)cn1 ZINC000310095649 385007661 /nfs/dbraw/zinc/00/76/61/385007661.db2.gz UZRAPCWLPKPVFC-ZDUSSCGKSA-N 2 0 235.331 1.261 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226403999 385012788 /nfs/dbraw/zinc/01/27/88/385012788.db2.gz LJEVZWOJDREIBG-GVXVVHGQSA-N 2 0 241.379 1.103 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCN(Cc2ccns2)C1 ZINC000404488413 385020702 /nfs/dbraw/zinc/02/07/02/385020702.db2.gz FFZFMBSSJAPNEM-IUCAKERBSA-N 2 0 211.334 1.312 20 0 BDADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)C[C@@H]1CCC[NH+](C)C1 ZINC000259128600 384963576 /nfs/dbraw/zinc/96/35/76/384963576.db2.gz WMUPMUNUZQPUTQ-UONOGXRCSA-N 3 0 239.407 1.260 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccoc1 ZINC000130613819 385049307 /nfs/dbraw/zinc/04/93/07/385049307.db2.gz PUOVNZRSOXHBRH-NEPJUHHUSA-N 2 0 208.305 1.887 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccoc1 ZINC000130614213 385049514 /nfs/dbraw/zinc/04/95/14/385049514.db2.gz PUOVNZRSOXHBRH-RYUDHWBXSA-N 2 0 208.305 1.887 20 0 BDADRP Cn1cncc1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000336323366 385053570 /nfs/dbraw/zinc/05/35/70/385053570.db2.gz LVCSUPKPHVSVCF-YPMHNXCESA-N 2 0 235.331 1.421 20 0 BDADRP C[C@H](F)CC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000340458044 385062749 /nfs/dbraw/zinc/06/27/49/385062749.db2.gz FRTKVSBCXGONLH-AXFHLTTASA-N 2 0 202.317 1.807 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CCN(C)C1CCCC1 ZINC000310453103 385065523 /nfs/dbraw/zinc/06/55/23/385065523.db2.gz YNDFZQXMPQAFAD-ZDUSSCGKSA-N 3 0 241.423 1.968 20 0 BDADRP Cc1noc(C)c1CN[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000404806785 385076961 /nfs/dbraw/zinc/07/69/61/385076961.db2.gz ZGMGBZZBEKUMDN-WDEREUQCSA-N 2 0 223.320 1.507 20 0 BDADRP CC[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000303105472 385025901 /nfs/dbraw/zinc/02/59/01/385025901.db2.gz CRRCSNSVJWRJAO-OLZOCXBDSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@H](CNC1=[NH+]CCCN1)C[NH+]1CCCCC1 ZINC000303254323 385031699 /nfs/dbraw/zinc/03/16/99/385031699.db2.gz DXPOGMBPMIBOPF-GFCCVEGCSA-N 2 0 238.379 1.047 20 0 BDADRP CCOC[C@H]([NH2+][C@H](C)CCC[NH3+])C(C)C ZINC000308797461 385114134 /nfs/dbraw/zinc/11/41/34/385114134.db2.gz CTYAONIPLUHMOX-NEPJUHHUSA-N 2 0 216.369 1.765 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000404879254 385120413 /nfs/dbraw/zinc/12/04/13/385120413.db2.gz YVXSEIUFXBWDFK-AXFHLTTASA-N 2 0 212.337 1.271 20 0 BDADRP COCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157240272 385121048 /nfs/dbraw/zinc/12/10/48/385121048.db2.gz PZYVIAVFXAQHBP-ZDUSSCGKSA-N 2 0 226.364 1.583 20 0 BDADRP COC[C@@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000036960334 385133798 /nfs/dbraw/zinc/13/37/98/385133798.db2.gz SBDSQIRIQGBUIO-GFCCVEGCSA-N 2 0 249.358 1.675 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CCC(=O)NC(C)(C)C ZINC000310514660 385101973 /nfs/dbraw/zinc/10/19/73/385101973.db2.gz KRHBMKJDAOWABI-NSHDSACASA-N 2 0 243.395 1.398 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]C[C@](C)(O)C(C)C)CC1 ZINC000178122876 385185889 /nfs/dbraw/zinc/18/58/89/385185889.db2.gz QBOMQTSMFUXJHT-AWEZNQCLSA-N 2 0 242.407 1.856 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@H]1CCCCC[C@H]1[NH3+] ZINC000422715476 385195379 /nfs/dbraw/zinc/19/53/79/385195379.db2.gz MHVAQNMIELSCDK-MJBXVCDLSA-N 2 0 241.423 1.966 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000305161629 385199542 /nfs/dbraw/zinc/19/95/42/385199542.db2.gz XFGFYVWIPYTKKR-IACUBPJLSA-N 2 0 242.407 1.713 20 0 BDADRP OC1(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000342810206 385168108 /nfs/dbraw/zinc/16/81/08/385168108.db2.gz PGYOZXJGQZOJOC-OLZOCXBDSA-N 2 0 238.375 1.508 20 0 BDADRP CCCCOCC[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000404916708 385174667 /nfs/dbraw/zinc/17/46/67/385174667.db2.gz WOTPBDGGABEBAW-GHMZBOCLSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCc2cccnc2)CC[N@@H+]1C ZINC000130003105 385210348 /nfs/dbraw/zinc/21/03/48/385210348.db2.gz WYNUODVGAAGAPC-TZMCWYRMSA-N 2 0 233.359 1.696 20 0 BDADRP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@H](C)CCC[NH3+] ZINC000647064753 385210897 /nfs/dbraw/zinc/21/08/97/385210897.db2.gz XDUBEHLEZFJGEU-YPMHNXCESA-N 2 0 249.358 1.238 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C[C@@H]2CCC[NH2+]2)cc1 ZINC000178249715 385216905 /nfs/dbraw/zinc/21/69/05/385216905.db2.gz CENFDGNPZIUPOH-MFKMUULPSA-N 2 0 247.342 1.787 20 0 BDADRP CCOC[C@@H](C)[NH2+]CCn1ccnc1C ZINC000044723671 385219631 /nfs/dbraw/zinc/21/96/31/385219631.db2.gz TWKPFLJYZOVALT-SNVBAGLBSA-N 2 0 211.309 1.206 20 0 BDADRP CCOCCC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252715662 385223844 /nfs/dbraw/zinc/22/38/44/385223844.db2.gz WIKYGJONFZTGHZ-VXGBXAGGSA-N 2 0 214.353 1.343 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@H]1CCn2ccnc21 ZINC000294155695 385226582 /nfs/dbraw/zinc/22/65/82/385226582.db2.gz QKSHXZILPLHEGY-NSHDSACASA-N 2 0 222.336 1.259 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]1CO ZINC000191481082 385305786 /nfs/dbraw/zinc/30/57/86/385305786.db2.gz QDDCOIBNEAWMOR-LBPRGKRZSA-N 2 0 214.353 1.175 20 0 BDADRP c1ccc2c(c1)C[NH+](C1CC[NH2+]CC1)C2 ZINC000050911370 385312095 /nfs/dbraw/zinc/31/20/95/385312095.db2.gz OPDUSQYTDNRVRP-UHFFFAOYSA-N 2 0 202.301 1.754 20 0 BDADRP CO[C@H](C)CC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000308962109 385313413 /nfs/dbraw/zinc/31/34/13/385313413.db2.gz ZZQAFPWNJXECMF-WOPDTQHZSA-N 2 0 214.353 1.519 20 0 BDADRP C[NH+](C)Cc1cccc(C(=O)NCC(C)(C)[NH3+])c1 ZINC000237038007 385259335 /nfs/dbraw/zinc/25/93/35/385259335.db2.gz CQDIYRGFGRXCJB-UHFFFAOYSA-N 2 0 249.358 1.215 20 0 BDADRP Cc1ccncc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000280364634 385299957 /nfs/dbraw/zinc/29/99/57/385299957.db2.gz SHICONIDAAEVGA-UHFFFAOYSA-N 2 0 231.343 1.742 20 0 BDADRP Cc1nccn1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000158055724 385332813 /nfs/dbraw/zinc/33/28/13/385332813.db2.gz VMIRXLGNDBKONX-ZIAGYGMSSA-N 2 0 248.374 1.408 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]C[C@H](C)c1ccccc1 ZINC000308991705 385336558 /nfs/dbraw/zinc/33/65/58/385336558.db2.gz OCZJKDAUXUDCDH-NEPJUHHUSA-N 2 0 206.333 1.975 20 0 BDADRP COC1(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)CCC1 ZINC000180192417 385386025 /nfs/dbraw/zinc/38/60/25/385386025.db2.gz DRMIWBRHKDNQHF-JHJVBQTASA-N 2 0 240.391 1.874 20 0 BDADRP COCC1(C)CC[NH+](CCC[NH3+])CC1 ZINC000409426952 385326672 /nfs/dbraw/zinc/32/66/72/385326672.db2.gz DHRQXWKTCKEJMU-UHFFFAOYSA-N 2 0 200.326 1.084 20 0 BDADRP CO[C@H](C)CC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000309067513 385392286 /nfs/dbraw/zinc/39/22/86/385392286.db2.gz AHCOCIQYCUWGFR-QJPTWQEYSA-N 2 0 214.353 1.341 20 0 BDADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)CC(C)(C)[NH3+] ZINC000178702823 385412625 /nfs/dbraw/zinc/41/26/25/385412625.db2.gz NERKBKURFCOPLY-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP CC[C@@H]1CN(Cc2ccc(N)nc2)CC[C@@H]1[NH3+] ZINC000647498956 385422658 /nfs/dbraw/zinc/42/26/58/385422658.db2.gz UXDGBYKHROMTRH-NEPJUHHUSA-N 2 0 234.347 1.053 20 0 BDADRP CC[C@@H]1CN(C[C@H]2CCC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000647499034 385423495 /nfs/dbraw/zinc/42/34/95/385423495.db2.gz XGVWUMHWDYMMJF-XQQFMLRXSA-N 2 0 225.380 1.045 20 0 BDADRP C[NH+](C)CCSCCC[NH+]1CCCC1 ZINC000195037246 385457721 /nfs/dbraw/zinc/45/77/21/385457721.db2.gz FLYMXMZCBPVXOW-UHFFFAOYSA-N 2 0 216.394 1.767 20 0 BDADRP COc1cccc(C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)c1 ZINC000405297009 385456209 /nfs/dbraw/zinc/45/62/09/385456209.db2.gz PJCKGGHHBXHOKQ-CHWSQXEVSA-N 2 0 234.343 1.911 20 0 BDADRP COc1cccc(C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)c1 ZINC000405297016 385457092 /nfs/dbraw/zinc/45/70/92/385457092.db2.gz PJCKGGHHBXHOKQ-QWHCGFSZSA-N 2 0 234.343 1.911 20 0 BDADRP CO[C@@H](C)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000182080681 385428935 /nfs/dbraw/zinc/42/89/35/385428935.db2.gz KWMJUMFOFXJTKE-LBPRGKRZSA-N 2 0 228.380 1.685 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C(=O)NCC[NH2+]C2CC2)cc1 ZINC000644083463 385433607 /nfs/dbraw/zinc/43/36/07/385433607.db2.gz DSSDHLGPFZUGPM-SNVBAGLBSA-N 2 0 247.342 1.188 20 0 BDADRP CCOCCC[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000405318843 385483292 /nfs/dbraw/zinc/48/32/92/385483292.db2.gz QHUCKOPRTRJETA-UWVGGRQHSA-N 2 0 200.326 1.128 20 0 BDADRP COCCCC[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000405336718 385502444 /nfs/dbraw/zinc/50/24/44/385502444.db2.gz ZUAIBRUTYLGHGB-ZJUUUORDSA-N 2 0 200.326 1.128 20 0 BDADRP C[C@H](C[NH2+][C@H](C)CCC[NH3+])C[NH+]1CCCC1 ZINC000309294105 385514286 /nfs/dbraw/zinc/51/42/86/385514286.db2.gz WTSHUQGCTKNJSU-CHWSQXEVSA-N 2 0 227.396 1.435 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCCC(F)(F)CC1 ZINC000258080780 385533666 /nfs/dbraw/zinc/53/36/66/385533666.db2.gz MGKHPFHQHIDDQK-UHFFFAOYSA-N 2 0 206.280 1.717 20 0 BDADRP c1cn2c(n1)C[C@H]([NH2+]C[C@@H]1CCSC1)CC2 ZINC000309337597 385538924 /nfs/dbraw/zinc/53/89/24/385538924.db2.gz AXQGLEXKCOQEGC-WDEREUQCSA-N 2 0 237.372 1.541 20 0 BDADRP Cc1c[nH+]ccc1N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643031161 385527442 /nfs/dbraw/zinc/52/74/42/385527442.db2.gz ITGBAMRMHYSEBN-NWDGAFQWSA-N 2 0 217.316 1.578 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000309425242 385577515 /nfs/dbraw/zinc/57/75/15/385577515.db2.gz XATZEJYOWFJXLL-KGYLQXTDSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@H]([NH2+]CCCC[NH+](C)C)[C@H]1CCCOC1 ZINC000309358235 385549425 /nfs/dbraw/zinc/54/94/25/385549425.db2.gz ACDOXJXEPFREGQ-STQMWFEESA-N 2 0 228.380 1.733 20 0 BDADRP CC(C)CCOCC[NH2+][C@H]1CN(C)C[C@H]1C ZINC000309383786 385557052 /nfs/dbraw/zinc/55/70/52/385557052.db2.gz SLMUNLDOKBXVKP-OLZOCXBDSA-N 2 0 228.380 1.589 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1[C@@H](C)[C@H](OC)C12CCC2 ZINC000414849233 385624740 /nfs/dbraw/zinc/62/47/40/385624740.db2.gz XUFOTTJCUFPJII-LOWDOPEQSA-N 2 0 240.391 1.635 20 0 BDADRP CC(C)[N@H+](C)CCCNCc1cc[nH]n1 ZINC000066971141 385624866 /nfs/dbraw/zinc/62/48/66/385624866.db2.gz MUAMZOWWIUHBDD-UHFFFAOYSA-N 2 0 210.325 1.230 20 0 BDADRP Cn1cncc1CNCC1([NH3+])CCCCC1 ZINC000414849953 385627137 /nfs/dbraw/zinc/62/71/37/385627137.db2.gz YKNGIYQJBWSUOA-UHFFFAOYSA-N 2 0 222.336 1.171 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCCOC1 ZINC000336681026 385632489 /nfs/dbraw/zinc/63/24/89/385632489.db2.gz HFAFSBDXZMVRMR-WDEREUQCSA-N 2 0 200.326 1.273 20 0 BDADRP Cc1ncc(C[NH2+]CC2(C)CC[NH+](C)CC2)cn1 ZINC000355725066 385633874 /nfs/dbraw/zinc/63/38/74/385633874.db2.gz HPUIMSYDBOJBNF-UHFFFAOYSA-N 2 0 248.374 1.607 20 0 BDADRP CCC1(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)COC1 ZINC000393984396 385610892 /nfs/dbraw/zinc/61/08/92/385610892.db2.gz JBUHAJUAUVEQOK-NWDGAFQWSA-N 2 0 226.364 1.533 20 0 BDADRP [NH3+]CC1CCC([NH2+]CC[C@H]2CCC[NH2+]C2)CC1 ZINC000414850991 385646331 /nfs/dbraw/zinc/64/63/31/385646331.db2.gz ZZJYSXROZFCDGH-ROKHWSDSSA-N 3 0 239.407 1.483 20 0 BDADRP Cc1cc(C[NH2+]CC[C@H]2CCC[NH2+]C2)nn1C ZINC000414850966 385647930 /nfs/dbraw/zinc/64/79/30/385647930.db2.gz ZWMADUDWZTVISM-GFCCVEGCSA-N 2 0 236.363 1.208 20 0 BDADRP CC[NH+]1CCC(N[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000414851303 385650074 /nfs/dbraw/zinc/65/00/74/385650074.db2.gz IYTAPQWFCWUDHR-STQMWFEESA-N 2 0 239.407 1.448 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000336685410 385690708 /nfs/dbraw/zinc/69/07/08/385690708.db2.gz UDIFBPHYQAVZLN-AVGNSLFASA-N 2 0 228.380 1.181 20 0 BDADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCC2(C)C)CC1 ZINC000309588968 385717687 /nfs/dbraw/zinc/71/76/87/385717687.db2.gz UACMRELOSALTCO-NSHDSACASA-N 2 0 226.364 1.221 20 0 BDADRP Cc1ncccc1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414855485 385700620 /nfs/dbraw/zinc/70/06/20/385700620.db2.gz WRASOWXJIYVQHI-ZDUSSCGKSA-N 2 0 233.359 1.869 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])C(=O)NC(C)(C)C ZINC000336687583 385705912 /nfs/dbraw/zinc/70/59/12/385705912.db2.gz GMWBTHSRNICHHQ-WDEREUQCSA-N 2 0 243.395 1.397 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCCSC1 ZINC000308185193 385706074 /nfs/dbraw/zinc/70/60/74/385706074.db2.gz FLAVOTASYVGQDS-ZJUUUORDSA-N 2 0 202.367 1.599 20 0 BDADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)C1CCC1 ZINC000309586674 385711057 /nfs/dbraw/zinc/71/10/57/385711057.db2.gz RYZJFKFGZFAIHL-LLVKDONJSA-N 2 0 226.364 1.221 20 0 BDADRP [NH3+]C[C@H](NC1CC[NH2+]CC1)C1CCCCC1 ZINC000414856743 385715848 /nfs/dbraw/zinc/71/58/48/385715848.db2.gz ZKYSFWCKGHCZDG-ZDUSSCGKSA-N 3 0 225.380 1.236 20 0 BDADRP C[C@H](CC1CCOCC1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414857833 385731999 /nfs/dbraw/zinc/73/19/99/385731999.db2.gz QHMDMVWCYQYPRN-TZMCWYRMSA-N 2 0 240.391 1.781 20 0 BDADRP C[NH2+]Cc1ccccc1NC[C@H]1CCC[NH2+]C1 ZINC000414866680 385786019 /nfs/dbraw/zinc/78/60/19/385786019.db2.gz MFFXYDGPRKYVDV-LBPRGKRZSA-N 2 0 233.359 1.818 20 0 BDADRP CC[C@H]1CCC[C@@H]([NH2+]CCN2CC[NH2+]CC2)C1 ZINC000414860658 385742875 /nfs/dbraw/zinc/74/28/75/385742875.db2.gz CVYXFGYMUFJPSH-UONOGXRCSA-N 2 0 239.407 1.450 20 0 BDADRP CC[C@H](COC)[NH2+]C[C@H](C)C[NH+](C)C ZINC000336699653 385759367 /nfs/dbraw/zinc/75/93/67/385759367.db2.gz WUAALTMPLMDUKC-WDEREUQCSA-N 2 0 202.342 1.199 20 0 BDADRP c1ccc([C@@H]2C[C@@H](N[C@@H]3CC[NH2+]C3)CC[NH2+]2)cc1 ZINC000414866392 385776852 /nfs/dbraw/zinc/77/68/52/385776852.db2.gz FCHCIFNJKAQSEM-ZNMIVQPWSA-N 2 0 245.370 1.431 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H](C)C[NH3+] ZINC000414944806 385785392 /nfs/dbraw/zinc/78/53/92/385785392.db2.gz OUNVJDGSQYMXES-WOPDTQHZSA-N 2 0 213.369 1.234 20 0 BDADRP C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000335492788 385723828 /nfs/dbraw/zinc/72/38/28/385723828.db2.gz BWMXRARJKNNZLW-DTWKUNHWSA-N 2 0 233.315 1.212 20 0 BDADRP COC[C@]1(C[NH2+][C@@H]2CCC[C@@H]2C)CCC[NH2+]1 ZINC000414945313 385799244 /nfs/dbraw/zinc/79/92/44/385799244.db2.gz PZQOJFXGGLCZMY-YNEHKIRRSA-N 2 0 226.364 1.533 20 0 BDADRP C1=C(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC[NH2+]C1 ZINC000647799752 385802238 /nfs/dbraw/zinc/80/22/38/385802238.db2.gz PZLFHLPMSAQIPF-SOUVJXGZSA-N 3 0 249.402 1.274 20 0 BDADRP CCCC[C@H](COC)[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000414947271 385802374 /nfs/dbraw/zinc/80/23/74/385802374.db2.gz KOHOEHRTUUUUGX-RWMBFGLXSA-N 2 0 228.380 1.922 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647799960 385802708 /nfs/dbraw/zinc/80/27/08/385802708.db2.gz VSEJVLUJMWTILR-KSTCHIGDSA-N 2 0 238.375 1.532 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCC(C)(F)F ZINC000394867179 385805719 /nfs/dbraw/zinc/80/57/19/385805719.db2.gz DCSRVYIDGBWYKE-ZJUUUORDSA-N 2 0 220.307 1.962 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](C)CC(F)F ZINC000647800833 385810119 /nfs/dbraw/zinc/81/01/19/385810119.db2.gz LFPJOTNNNVFPHG-VHSXEESVSA-N 2 0 238.322 1.621 20 0 BDADRP C[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)[C@H]1CCCC[NH2+]1 ZINC000393693109 385856905 /nfs/dbraw/zinc/85/69/05/385856905.db2.gz IMKGQFCGSNMSDY-YNEHKIRRSA-N 2 0 242.407 1.904 20 0 BDADRP CC[C@H](COC)[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000414949895 385814873 /nfs/dbraw/zinc/81/48/73/385814873.db2.gz NYUMJTYXCPLBNK-AXFHLTTASA-N 2 0 200.326 1.142 20 0 BDADRP CN1CCC([NH2+]Cc2cccc3nccn32)CC1 ZINC000271301236 385815027 /nfs/dbraw/zinc/81/50/27/385815027.db2.gz UPTVFHSWPYHCBS-UHFFFAOYSA-N 2 0 244.342 1.518 20 0 BDADRP COc1cccc(C[C@H](C)N[C@@H]2CCC[NH2+]C2)n1 ZINC000414871494 385857274 /nfs/dbraw/zinc/85/72/74/385857274.db2.gz UXYCCCGBKBDYFG-WCQYABFASA-N 2 0 249.358 1.363 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]Cc1cn(C)nc1C(C)(C)C ZINC000414871908 385857984 /nfs/dbraw/zinc/85/79/84/385857984.db2.gz DSCXZTGXFKWCGZ-JTQLQIEISA-N 2 0 238.379 1.402 20 0 BDADRP COC[C@H](CC(C)C)[NH2+]C[C@H](C)C[NH3+] ZINC000414869219 385836157 /nfs/dbraw/zinc/83/61/57/385836157.db2.gz AIOCOPPCTLABLQ-MNOVXSKESA-N 2 0 202.342 1.232 20 0 BDADRP [NH3+]Cc1ccc(CN[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000647802616 385836516 /nfs/dbraw/zinc/83/65/16/385836516.db2.gz PVVNTJLEXPJOPL-QWHCGFSZSA-N 2 0 219.332 1.115 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CO1 ZINC000647804193 385840604 /nfs/dbraw/zinc/84/06/04/385840604.db2.gz LEFYQNFLCGFIBB-NXQJVVEESA-N 2 0 210.321 1.036 20 0 BDADRP C1C[NH2+][C@H]([C@H]2CCC[C@H]2N[C@@H]2CCC[NH2+]C2)C1 ZINC000414874208 385884054 /nfs/dbraw/zinc/88/40/54/385884054.db2.gz YTDYZJWSLIKSCR-YIYPIFLZSA-N 2 0 237.391 1.249 20 0 BDADRP Cc1n[nH]cc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250954663 385929294 /nfs/dbraw/zinc/92/92/94/385929294.db2.gz RCSUEFLKIXFBTP-MGPQQGTHSA-N 2 0 248.374 1.728 20 0 BDADRP Cc1ccccc1NC(=O)[C@H](C)N(C)CCC[NH3+] ZINC000647849279 385901217 /nfs/dbraw/zinc/90/12/17/385901217.db2.gz NQNGTIMAFXUUPI-LBPRGKRZSA-N 2 0 249.358 1.603 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]Cc1cc(F)cc(F)c1 ZINC000414876371 385907084 /nfs/dbraw/zinc/90/70/84/385907084.db2.gz LGZMXJSIGQLHNN-QMMMGPOBSA-N 2 0 214.259 1.649 20 0 BDADRP CC(C)n1ccc(C[C@@H](C)[NH2+]C[C@@H](C)C[NH3+])n1 ZINC000414876551 385909298 /nfs/dbraw/zinc/90/92/98/385909298.db2.gz LNUPJGBKGLBTKW-NWDGAFQWSA-N 2 0 238.379 1.579 20 0 BDADRP COC[C@@]1(C[NH2+][C@@H](C)CC2CC2)CCC[NH2+]1 ZINC000414964871 385909847 /nfs/dbraw/zinc/90/98/47/385909847.db2.gz YTRLWMSMDKPUFY-AAEUAGOBSA-N 2 0 226.364 1.533 20 0 BDADRP COC[C@]1(C[NH2+][C@@H](C)CC2CC2)CCC[NH2+]1 ZINC000414964873 385910004 /nfs/dbraw/zinc/91/00/04/385910004.db2.gz YTRLWMSMDKPUFY-WCQYABFASA-N 2 0 226.364 1.533 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+][C@@H](C)CC1CCOCC1 ZINC000414965023 385912089 /nfs/dbraw/zinc/91/20/89/385912089.db2.gz VNTYQBNPYSTYGR-NWDGAFQWSA-N 2 0 228.380 1.779 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+][C@H](C)CC1CCOCC1 ZINC000414965024 385912343 /nfs/dbraw/zinc/91/23/43/385912343.db2.gz VNTYQBNPYSTYGR-VXGBXAGGSA-N 2 0 228.380 1.779 20 0 BDADRP C[C@@H](CC[NH3+])[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000414876666 385913463 /nfs/dbraw/zinc/91/34/63/385913463.db2.gz DTCLYQILRGFBRK-LBPRGKRZSA-N 2 0 244.342 1.699 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC000414877009 385917770 /nfs/dbraw/zinc/91/77/70/385917770.db2.gz MHYYKXITZFEZSY-LLVKDONJSA-N 2 0 244.342 1.761 20 0 BDADRP Cc1cn[nH]c1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000336767652 385925044 /nfs/dbraw/zinc/92/50/44/385925044.db2.gz PZYVFKWXBWVFDF-UHFFFAOYSA-N 2 0 220.320 1.070 20 0 BDADRP COC(=O)C(C)(C)CC[NH2+]CCC[NH+](C)C ZINC000336725849 385862895 /nfs/dbraw/zinc/86/28/95/385862895.db2.gz BXBUCFIUSQMOLC-UHFFFAOYSA-N 2 0 230.352 1.117 20 0 BDADRP C[C@H](C(=O)N(C)[C@@H](C)C[NH3+])[C@H]([NH3+])c1ccccc1 ZINC000262607256 385865393 /nfs/dbraw/zinc/86/53/93/385865393.db2.gz TXSJXOPDTZCSMI-GVXVVHGQSA-N 2 0 249.358 1.128 20 0 BDADRP CC[C@](C)(O)C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000189104068 385928221 /nfs/dbraw/zinc/92/82/21/385928221.db2.gz WUJNDXZNHCFPMZ-ZDUSSCGKSA-N 2 0 228.380 1.610 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCSC1 ZINC000228556356 385878571 /nfs/dbraw/zinc/87/85/71/385878571.db2.gz LBUAYSPCHPAQSE-SDDRHHMPSA-N 2 0 228.405 1.847 20 0 BDADRP CC[NH+]1CCC([NH2+]CCC[C@@H]2CCC[NH2+]2)CC1 ZINC000414961977 385882696 /nfs/dbraw/zinc/88/26/96/385882696.db2.gz JBYHKKSMYKUTKC-ZDUSSCGKSA-N 3 0 239.407 1.593 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@H]2CC[C@@H](F)C2)CC1 ZINC000335017822 385976628 /nfs/dbraw/zinc/97/66/28/385976628.db2.gz NTQJOVWTCFZOLA-RSJDFQLWSA-N 2 0 214.328 1.984 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1NC1CC[NH+](C2CC2)CC1 ZINC000335022363 385982758 /nfs/dbraw/zinc/98/27/58/385982758.db2.gz DHQVVKHQHURMHJ-BXUZGUMPSA-N 2 0 237.391 1.201 20 0 BDADRP CC(C)[C@@H]([NH3+])CNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000295202340 385990353 /nfs/dbraw/zinc/99/03/53/385990353.db2.gz PFQDQGSXCWZQES-STQMWFEESA-N 2 0 249.358 1.176 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CC1(O)CCCCC1 ZINC000335042306 385935351 /nfs/dbraw/zinc/93/53/51/385935351.db2.gz JVXTUZGCLLXLLW-STQMWFEESA-N 2 0 240.391 1.931 20 0 BDADRP C[C@@H](CC[NH3+])[NH2+]Cc1cccc2c1OCO2 ZINC000414878242 385937659 /nfs/dbraw/zinc/93/76/59/385937659.db2.gz GUYMEKYTJKUCEO-VIFPVBQESA-N 2 0 222.288 1.242 20 0 BDADRP Cn1nccc1CC[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000311017625 385939322 /nfs/dbraw/zinc/93/93/22/385939322.db2.gz QJYQGTMNZGFLLP-JSGCOSHPSA-N 2 0 248.374 1.023 20 0 BDADRP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)[C@H]1C[C@H]1C ZINC000414077926 385950106 /nfs/dbraw/zinc/95/01/06/385950106.db2.gz RNTWHPJMIYYEMC-NDBYEHHHSA-N 2 0 226.364 1.077 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000414879460 385950611 /nfs/dbraw/zinc/95/06/11/385950611.db2.gz PIXVNKLIPPZSSA-GFCCVEGCSA-N 2 0 244.342 1.557 20 0 BDADRP C([NH2+][C@H]1CCCC12CCC2)[C@@H]1CNCCO1 ZINC000335053911 385953333 /nfs/dbraw/zinc/95/33/33/385953333.db2.gz YLWYPRLYRPDKMF-RYUDHWBXSA-N 2 0 224.348 1.287 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](CO)C2)C1 ZINC000304644947 385955862 /nfs/dbraw/zinc/95/58/62/385955862.db2.gz SVIIFRUMPSWDNO-LPWJVIDDSA-N 2 0 226.364 1.397 20 0 BDADRP C[C@H]([NH3+])CCC(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000335059887 385960408 /nfs/dbraw/zinc/96/04/08/385960408.db2.gz FZFAOMYVHNQYEG-JQWIXIFHSA-N 2 0 247.342 1.030 20 0 BDADRP C[C@H]1C[N@H+](C)C[C@@H]1NCC1([NH3+])CCCCC1 ZINC000335012181 385968204 /nfs/dbraw/zinc/96/82/04/385968204.db2.gz WYJPZTDUSNHNNM-RYUDHWBXSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000189300960 385973309 /nfs/dbraw/zinc/97/33/09/385973309.db2.gz NPSLIAGNODBOFK-POQQGIQPSA-N 2 0 240.391 1.466 20 0 BDADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]C2Cc3ccccc3C2)C1 ZINC000334865491 385974064 /nfs/dbraw/zinc/97/40/64/385974064.db2.gz USGDMLYXOCWNER-RISCZKNCSA-N 2 0 230.355 1.871 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)CC1CCOCC1 ZINC000414881597 385997723 /nfs/dbraw/zinc/99/77/23/385997723.db2.gz SKKWDXSQDYECMD-QWRGUYRKSA-N 2 0 214.353 1.376 20 0 BDADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H](C)[NH3+])cc1 ZINC000295259656 385999192 /nfs/dbraw/zinc/99/91/92/385999192.db2.gz UZDHDWCAKOPNSU-ZWNOBZJWSA-N 2 0 249.358 1.273 20 0 BDADRP CC[C@H]([NH3+])C[NH2+]C[C@@H]1CCO[C@@H](CC)C1 ZINC000414973297 386002947 /nfs/dbraw/zinc/00/29/47/386002947.db2.gz CBYBNZDGPFZSJZ-WOPDTQHZSA-N 2 0 214.353 1.519 20 0 BDADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)[C@H]1C[C@@H]1C ZINC000414117435 386011110 /nfs/dbraw/zinc/01/11/10/386011110.db2.gz SCTNAMYOPGDZIY-DGAVXFQQSA-N 2 0 242.407 1.977 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CC[NH2+]C1)CC1CCOCC1 ZINC000414882394 386011690 /nfs/dbraw/zinc/01/16/90/386011690.db2.gz MHZCKWUBPSYYSR-WCQYABFASA-N 2 0 226.364 1.391 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@]1(C)CCO[C@H]1C ZINC000336751877 386013162 /nfs/dbraw/zinc/01/31/62/386013162.db2.gz DBAUHVQSBYTUNB-QWHCGFSZSA-N 2 0 228.380 1.875 20 0 BDADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCOC2(C)C)C1 ZINC000414188410 386027245 /nfs/dbraw/zinc/02/72/45/386027245.db2.gz QFLTYORVAOBDQN-QWHCGFSZSA-N 2 0 240.391 1.875 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1NCC1([NH3+])CCCCCC1 ZINC000335060713 386027710 /nfs/dbraw/zinc/02/77/10/386027710.db2.gz QQBUFYKJLPUZBH-NWDGAFQWSA-N 2 0 225.380 1.508 20 0 BDADRP CC[C@H](COC)[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000414977112 386028439 /nfs/dbraw/zinc/02/84/39/386028439.db2.gz QNJZMEAAQCXPGS-GFCCVEGCSA-N 2 0 244.379 1.017 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(CC3CC3)C2)CS1 ZINC000638582288 386035023 /nfs/dbraw/zinc/03/50/23/386035023.db2.gz MBZMFOXFDAHYDS-RTXFEEFZSA-N 2 0 240.416 1.954 20 0 BDADRP CO[C@@H](C[N@H+](C)C[C@@H]1CCC[NH+](C)C1)C1CC1 ZINC000425424218 386044752 /nfs/dbraw/zinc/04/47/52/386044752.db2.gz WADZOEZLBPWHNN-OCCSQVGLSA-N 2 0 240.391 1.685 20 0 BDADRP C[C@H](C[NH+]1CCCCC1)N[C@H]1CCC[NH2+]CC1 ZINC000129106319 386050934 /nfs/dbraw/zinc/05/09/34/386050934.db2.gz ZYRFIKIQNONVFH-KGLIPLIRSA-N 2 0 239.407 1.593 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000414980157 386053140 /nfs/dbraw/zinc/05/31/40/386053140.db2.gz PFJCIBIUFSZROT-CYBMUJFWSA-N 2 0 247.386 1.982 20 0 BDADRP CCCC[C@H](COC)[NH2+]C[C@@H]([NH3+])CC ZINC000414985375 386103086 /nfs/dbraw/zinc/10/30/86/386103086.db2.gz HQTJQNSSWYFPAC-WDEREUQCSA-N 2 0 202.342 1.519 20 0 BDADRP CCC[C@@H]1C[NH2+]CCN1CC[NH2+]C(C)(C)C ZINC000414663870 386104828 /nfs/dbraw/zinc/10/48/28/386104828.db2.gz SAQFWLZOQPFOFN-GFCCVEGCSA-N 2 0 227.396 1.448 20 0 BDADRP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000331861588 386110517 /nfs/dbraw/zinc/11/05/17/386110517.db2.gz AJPNOENWKCAWTG-GRYCIOLGSA-N 2 0 228.380 1.786 20 0 BDADRP C[N@H+](CCCC1CC[NH2+]CC1)C1(CN)CCC1 ZINC000647985486 386110646 /nfs/dbraw/zinc/11/06/46/386110646.db2.gz DXURUXXKQWEZNO-UHFFFAOYSA-N 2 0 239.407 1.579 20 0 BDADRP C[C@H](CC(C)(C)O)[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000331861617 386110869 /nfs/dbraw/zinc/11/08/69/386110869.db2.gz AJPNOENWKCAWTG-UTUOFQBUSA-N 2 0 228.380 1.786 20 0 BDADRP CO[C@@H](C)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000223985354 386116558 /nfs/dbraw/zinc/11/65/58/386116558.db2.gz LHOHVQBSTRCHHD-LBPRGKRZSA-N 2 0 249.358 1.675 20 0 BDADRP Cc1ccccc1OCC[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000647873510 386121218 /nfs/dbraw/zinc/12/12/18/386121218.db2.gz UIPVUWYSIAPHBK-AWEZNQCLSA-N 2 0 248.370 1.915 20 0 BDADRP COc1ccccc1/C=C\C[NH2+]C[C@@H](C)C[NH3+] ZINC000414885500 386060066 /nfs/dbraw/zinc/06/00/66/386060066.db2.gz XAKSFIKUFWLKTI-HWPRWLFBSA-N 2 0 234.343 1.893 20 0 BDADRP COCC[C@H](C)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000414209263 386062510 /nfs/dbraw/zinc/06/25/10/386062510.db2.gz SJFDNYQYLJWHRS-XDQVBPFNSA-N 2 0 242.407 1.977 20 0 BDADRP C[C@@H]1[NH2+]CCN(CCCC2CC[NH2+]CC2)[C@H]1C ZINC000647941195 386080484 /nfs/dbraw/zinc/08/04/84/386080484.db2.gz CKDDCMBCZUPEOB-STQMWFEESA-N 2 0 239.407 1.448 20 0 BDADRP C[NH+](C)[C@@H]1CCC[N@H+](CCn2ccnc2)CC1 ZINC000365401953 386080677 /nfs/dbraw/zinc/08/06/77/386080677.db2.gz HHOANDJQKXQWGF-CYBMUJFWSA-N 3 0 236.363 1.299 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000414657122 386085210 /nfs/dbraw/zinc/08/52/10/386085210.db2.gz JPVLXJWPYCKRIE-FRRDWIJNSA-N 2 0 227.396 1.419 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000414677161 386152678 /nfs/dbraw/zinc/15/26/78/386152678.db2.gz WHEPAYPGHICTJY-WUHRBBMRSA-N 2 0 225.380 1.029 20 0 BDADRP CC(C)(C)[NH2+]CCN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000414678408 386156314 /nfs/dbraw/zinc/15/63/14/386156314.db2.gz XRSYJCYSFTVHEC-XQQFMLRXSA-N 2 0 239.407 1.434 20 0 BDADRP CC(C)(C)[NH2+]CCN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000414678027 386156371 /nfs/dbraw/zinc/15/63/71/386156371.db2.gz XRSYJCYSFTVHEC-AVGNSLFASA-N 2 0 239.407 1.434 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353504589 386159361 /nfs/dbraw/zinc/15/93/61/386159361.db2.gz SBONQPMAPHVPOE-SYQHCUMBSA-N 2 0 240.391 1.610 20 0 BDADRP CC[C@H]([NH3+])C[NH2+]CCCc1ccc(C)nc1 ZINC000414992818 386159756 /nfs/dbraw/zinc/15/97/56/386159756.db2.gz SBDIFYFXWVKWPY-ZDUSSCGKSA-N 2 0 221.348 1.650 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(CCO)CC2)[C@H](C)C1 ZINC000188073610 386171203 /nfs/dbraw/zinc/17/12/03/386171203.db2.gz CJLGCCPOVOYNCQ-OLZOCXBDSA-N 2 0 240.391 1.469 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414995226 386173229 /nfs/dbraw/zinc/17/32/29/386173229.db2.gz NJBINNPYRYGGJW-OMXXWXSESA-N 3 0 237.391 1.092 20 0 BDADRP Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)nc1 ZINC000414995840 386178756 /nfs/dbraw/zinc/17/87/56/386178756.db2.gz NYZZKPAOJVLBRH-CHWSQXEVSA-N 2 0 233.359 1.997 20 0 BDADRP CC(C)C[C@H]([NH3+])CN(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000414692225 386182368 /nfs/dbraw/zinc/18/23/68/386182368.db2.gz KLDMQOQYBSFLEH-GXTWGEPZSA-N 2 0 239.407 1.528 20 0 BDADRP C[C@H]([NH3+])C1CCN(C(=O)CCC(C)(C)[NH3+])CC1 ZINC000647756557 386186901 /nfs/dbraw/zinc/18/69/01/386186901.db2.gz SXLYEAMYSFWAMJ-JTQLQIEISA-N 2 0 241.379 1.090 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)NCC[N@H+](CC)C(C)C ZINC000353581733 386188904 /nfs/dbraw/zinc/18/89/04/386188904.db2.gz NMUTWKAARANRJZ-ZDUSSCGKSA-N 2 0 243.395 1.350 20 0 BDADRP [NH3+][C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C1CC1 ZINC000414890732 386128394 /nfs/dbraw/zinc/12/83/94/386128394.db2.gz MZTXKRQNDJWUAF-LOWDOPEQSA-N 2 0 236.359 1.271 20 0 BDADRP [NH3+][C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)C1CC1 ZINC000414890739 386128447 /nfs/dbraw/zinc/12/84/47/386128447.db2.gz MZTXKRQNDJWUAF-UMSGYPCISA-N 2 0 236.359 1.271 20 0 BDADRP C[NH+]1CCC(CC[NH2+]C[C@H]2CCCOC2)CC1 ZINC000164680415 386189532 /nfs/dbraw/zinc/18/95/32/386189532.db2.gz GBEOOBHUZDXEDF-CQSZACIVSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@@]1(C)CCCO1 ZINC000340530971 386142726 /nfs/dbraw/zinc/14/27/26/386142726.db2.gz INNJTWRUIOLIJQ-GXTWGEPZSA-N 2 0 238.375 1.796 20 0 BDADRP c1ccc([C@@H]2CN(C[C@@H]3CC[NH2+]C3)CCO2)cc1 ZINC000647874790 386143384 /nfs/dbraw/zinc/14/33/84/386143384.db2.gz YRPJBQFGPBGACM-HIFRSBDPSA-N 2 0 246.354 1.669 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCOC[C@@H]2C2CC2)CC[NH2+]1 ZINC000414700963 386200875 /nfs/dbraw/zinc/20/08/75/386200875.db2.gz KJOHRLCGKPNLHE-YRGRVCCFSA-N 2 0 238.375 1.485 20 0 BDADRP Cc1ccc(O)c(C[NH2+]CC2(C)CC[NH2+]CC2)n1 ZINC000414895984 386204987 /nfs/dbraw/zinc/20/49/87/386204987.db2.gz AGKMSXQMWZRTGH-UHFFFAOYSA-N 2 0 249.358 1.575 20 0 BDADRP c1cc([C@@H]2CCC[N@@H+](C[C@H]3CC[NH2+]C3)C2)n[nH]1 ZINC000647881020 386207012 /nfs/dbraw/zinc/20/70/12/386207012.db2.gz UXXVAETZLNXXFI-NWDGAFQWSA-N 2 0 234.347 1.199 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000647880994 386207378 /nfs/dbraw/zinc/20/73/78/386207378.db2.gz OGQBGRCPYVVAMC-NSHDSACASA-N 2 0 222.336 1.199 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](Cc2cccc3c2NCC3)C1 ZINC000347061889 386208407 /nfs/dbraw/zinc/20/84/07/386208407.db2.gz ZFGGGGBZBJOUHM-LBPRGKRZSA-N 2 0 245.370 1.696 20 0 BDADRP COCC(C)(C)[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414700588 386208568 /nfs/dbraw/zinc/20/85/68/386208568.db2.gz GIDGYIYMCIVUBT-QWRGUYRKSA-N 2 0 214.353 1.389 20 0 BDADRP CCC(CC)(CO)[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414709779 386224715 /nfs/dbraw/zinc/22/47/15/386224715.db2.gz PJXZTYYFFAACQE-VXGBXAGGSA-N 2 0 228.380 1.515 20 0 BDADRP C[C@@H](CC1CCOCC1)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000347038901 386227013 /nfs/dbraw/zinc/22/70/13/386227013.db2.gz IYWPGSUJJUDAEK-JSGCOSHPSA-N 2 0 240.391 1.720 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](Cc2cccc3c[nH]nc32)C1 ZINC000347115825 386231510 /nfs/dbraw/zinc/23/15/10/386231510.db2.gz VOAQMEYXCDVIPK-LLVKDONJSA-N 2 0 244.342 1.604 20 0 BDADRP CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CCCC[NH3+])C12CCC2 ZINC000414898851 386235717 /nfs/dbraw/zinc/23/57/17/386235717.db2.gz FDWAQRFEKDPROW-QJPTWQEYSA-N 2 0 226.364 1.519 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCO[C@H]1C ZINC000125289435 386239852 /nfs/dbraw/zinc/23/98/52/386239852.db2.gz GVAXNYAVRNFRIV-RYUDHWBXSA-N 2 0 214.353 1.484 20 0 BDADRP COC(=O)C(C)(C)CC[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414898998 386240057 /nfs/dbraw/zinc/24/00/57/386240057.db2.gz BQOWIMIFRTWHOS-LLVKDONJSA-N 2 0 242.363 1.307 20 0 BDADRP CCn1cc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000415002690 386240975 /nfs/dbraw/zinc/24/09/75/386240975.db2.gz WFBJCRSFGDRSSS-WCQYABFASA-N 2 0 236.363 1.510 20 0 BDADRP COc1ccccc1/C=C\C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000347094417 386247903 /nfs/dbraw/zinc/24/79/03/386247903.db2.gz HHYYMVHFVUWPEK-AGLBCWCQSA-N 2 0 246.354 1.989 20 0 BDADRP C[C@@H]1CNC[C@H](C)[N@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414719361 386253000 /nfs/dbraw/zinc/25/30/00/386253000.db2.gz XZMUIILOPTULSV-RVMXOQNASA-N 2 0 225.380 1.057 20 0 BDADRP C[C@H](CO)[N@H+](C)Cc1cccc2nccn21 ZINC000289521767 386324449 /nfs/dbraw/zinc/32/44/49/386324449.db2.gz VLJCMBFOQNTQKV-SNVBAGLBSA-N 2 0 219.288 1.147 20 0 BDADRP [NH3+]C[C@@H](NC[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000647988030 386294426 /nfs/dbraw/zinc/29/44/26/386294426.db2.gz HSZXIRZQNRPDDT-DGCLKSJQSA-N 2 0 225.380 1.093 20 0 BDADRP CC[N@@H+]1C[C@H](C)N(C[C@H]([NH3+])CC(C)C)C[C@H]1C ZINC000414733952 386298394 /nfs/dbraw/zinc/29/83/94/386298394.db2.gz FJQZGHOELFOTIR-HZSPNIEDSA-N 2 0 241.423 1.774 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](O)[C@@H](C)C2)CC[NH2+]1 ZINC000414738451 386319651 /nfs/dbraw/zinc/31/96/51/386319651.db2.gz JJBZKTGXQMDYHH-LOWDOPEQSA-N 2 0 226.364 1.077 20 0 BDADRP CCOC[C@H](C)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414902423 386320790 /nfs/dbraw/zinc/32/07/90/386320790.db2.gz HZQHAJBXHPKJBZ-WDEREUQCSA-N 2 0 200.326 1.143 20 0 BDADRP CCC1(C[N@H+](C)C2CC[NH2+]CC2)CCOCC1 ZINC000347152937 386263529 /nfs/dbraw/zinc/26/35/29/386263529.db2.gz BQSYNGDSKKJFEJ-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP CC(C)[NH+]1CCC(NCC[C@H]2CCC[NH2+]2)CC1 ZINC000414900020 386265628 /nfs/dbraw/zinc/26/56/28/386265628.db2.gz CVCKGDKIRWUHTQ-CYBMUJFWSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H](O)CC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000336653353 386268538 /nfs/dbraw/zinc/26/85/38/386268538.db2.gz YESKFSHIFRBIGX-NEPJUHHUSA-N 2 0 214.353 1.031 20 0 BDADRP C[C@H](O)CC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000336653355 386269598 /nfs/dbraw/zinc/26/95/98/386269598.db2.gz YESKFSHIFRBIGX-NWDGAFQWSA-N 2 0 214.353 1.031 20 0 BDADRP CC[C@@H](C)C[N@H+](C)CCc1cncn1C ZINC000297649328 386270251 /nfs/dbraw/zinc/27/02/51/386270251.db2.gz ITOWHMULPBALMB-LLVKDONJSA-N 2 0 209.337 1.941 20 0 BDADRP C[N@H+](C[C@@H]1CC[NH2+]C1)[C@H](CCO)c1ccccc1 ZINC000647885745 386278019 /nfs/dbraw/zinc/27/80/19/386278019.db2.gz LHKCCFVVDNMCKJ-UKRRQHHQSA-N 2 0 248.370 1.651 20 0 BDADRP c1ccc2c(c1)OCC[C@H]2C[NH2+]C1CC[NH2+]CC1 ZINC000335276769 386341608 /nfs/dbraw/zinc/34/16/08/386341608.db2.gz IAXXGKCEZJHLDP-LBPRGKRZSA-N 2 0 246.354 1.894 20 0 BDADRP COC1CCC([NH2+][C@@H]2CCCC[NH2+]C2)CC1 ZINC000335267474 386348769 /nfs/dbraw/zinc/34/87/69/386348769.db2.gz HXCSUDFZHXJPMF-OTTFEQOBSA-N 2 0 226.364 1.676 20 0 BDADRP COC[C@H]([NH2+][C@@H]1CCCN(C)[C@@H]1C)C1CC1 ZINC000336775234 386384717 /nfs/dbraw/zinc/38/47/17/386384717.db2.gz YKMYCWCLTTXOIG-RTXFEEFZSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCC[NH+](C)C ZINC000336678061 386329481 /nfs/dbraw/zinc/32/94/81/386329481.db2.gz DQRXAUXDGCDURV-LLVKDONJSA-N 3 0 201.358 1.045 20 0 BDADRP C[N@H+](CCn1ccnc1)C1CCC(CO)CC1 ZINC000336683320 386331813 /nfs/dbraw/zinc/33/18/13/386331813.db2.gz DNBFIQVQRDGNEW-UHFFFAOYSA-N 2 0 237.347 1.366 20 0 BDADRP Cn1cccc1CN1CCC[C@H]([NH+](C)C)CC1 ZINC000277467251 386437315 /nfs/dbraw/zinc/43/73/15/386437315.db2.gz LUWXZGJEHTZZFB-ZDUSSCGKSA-N 2 0 235.375 1.941 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)C(C)C ZINC000336754338 386440079 /nfs/dbraw/zinc/44/00/79/386440079.db2.gz FTHGAZVMTZZLOV-FRRDWIJNSA-N 2 0 228.380 1.587 20 0 BDADRP C[C@@H](C[C@@H]1CCC[NH2+]1)NCC[C@H]1CCC[NH2+]1 ZINC000414911137 386452697 /nfs/dbraw/zinc/45/26/97/386452697.db2.gz WHWOBVHZPGISBL-XQQFMLRXSA-N 2 0 225.380 1.249 20 0 BDADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CC2(C)COC2)C1 ZINC000336704614 386392774 /nfs/dbraw/zinc/39/27/74/386392774.db2.gz NDTJDUPGPYEZBZ-ZDUSSCGKSA-N 2 0 240.391 1.687 20 0 BDADRP C[N@H+](C[C@H]1CCCOC1)C[C@@H]1CCC[NH+](C)C1 ZINC000336704727 386393722 /nfs/dbraw/zinc/39/37/22/386393722.db2.gz NNYGKVNGOCOASV-ZIAGYGMSSA-N 2 0 240.391 1.687 20 0 BDADRP CC(C)CO[C@H]1CC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647891478 386393758 /nfs/dbraw/zinc/39/37/58/386393758.db2.gz IOUUNAKUFZMHJR-STQMWFEESA-N 2 0 226.364 1.343 20 0 BDADRP C[C@H](O)CC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000336708695 386418296 /nfs/dbraw/zinc/41/82/96/386418296.db2.gz IUWFHKDTUODOPY-JSGCOSHPSA-N 2 0 240.391 1.421 20 0 BDADRP C[C@H](O)CC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000336708693 386419519 /nfs/dbraw/zinc/41/95/19/386419519.db2.gz IUWFHKDTUODOPY-GXTWGEPZSA-N 2 0 240.391 1.421 20 0 BDADRP C[C@@H](O)CC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000336708698 386419743 /nfs/dbraw/zinc/41/97/43/386419743.db2.gz IUWFHKDTUODOPY-TZMCWYRMSA-N 2 0 240.391 1.421 20 0 BDADRP CC[C@@H]1C[C@@H](C)C[N@@H+]1CCN1CC[NH2+]CC1 ZINC000399160961 386428114 /nfs/dbraw/zinc/42/81/14/386428114.db2.gz KTZIUJBFMMYFIE-CHWSQXEVSA-N 2 0 225.380 1.012 20 0 BDADRP Cc1c(C[NH+]2CCC([C@H](C)[NH3+])CC2)cnn1C ZINC000093651368 386433352 /nfs/dbraw/zinc/43/33/52/386433352.db2.gz KXROHTIINLSYIQ-JTQLQIEISA-N 2 0 236.363 1.288 20 0 BDADRP C[C@@H]1CCC[C@@H]([NH2+]CCCN2CC[NH2+]CC2)C1 ZINC000414775393 386469731 /nfs/dbraw/zinc/46/97/31/386469731.db2.gz CKWNQWVLCPUOQJ-ZIAGYGMSSA-N 2 0 239.407 1.450 20 0 BDADRP CCC[C@H](C)C[NH2+]CCCN1CC[NH2+]CC1 ZINC000414775548 386470630 /nfs/dbraw/zinc/47/06/30/386470630.db2.gz DCDGFDZOGBUTFE-ZDUSSCGKSA-N 2 0 227.396 1.308 20 0 BDADRP CC[C@@H]1C[N@H+](Cc2ccnc(N)c2)CC[C@@H]1[NH3+] ZINC000647934734 386477776 /nfs/dbraw/zinc/47/77/76/386477776.db2.gz OFUWKJUCWQLYBA-NEPJUHHUSA-N 2 0 234.347 1.053 20 0 BDADRP CC[C@H]1C[N@H+](Cc2ccnc(N)c2)CC[C@@H]1[NH3+] ZINC000647934736 386479224 /nfs/dbraw/zinc/47/92/24/386479224.db2.gz OFUWKJUCWQLYBA-RYUDHWBXSA-N 2 0 234.347 1.053 20 0 BDADRP CC[C@H]1CN(CCC[NH+](CC)CC)CC[C@@H]1[NH3+] ZINC000647934962 386483447 /nfs/dbraw/zinc/48/34/47/386483447.db2.gz VSCYTGCFELANLY-KBPBESRZSA-N 2 0 241.423 1.778 20 0 BDADRP COC[C@@H](CC(C)C)[NH2+]C1CC[NH2+]CC1 ZINC000414778414 386488571 /nfs/dbraw/zinc/48/85/71/386488571.db2.gz IBXUEFLJIQHXRX-GFCCVEGCSA-N 2 0 214.353 1.389 20 0 BDADRP C([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@H]1CCSC1 ZINC000415013696 386495366 /nfs/dbraw/zinc/49/53/66/386495366.db2.gz VGTRUFLWTAIEHO-KGYLQXTDSA-N 2 0 240.416 1.717 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000415013283 386496736 /nfs/dbraw/zinc/49/67/36/386496736.db2.gz KFBUXHJISWIHSQ-LLVKDONJSA-N 2 0 249.358 1.393 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CCCC1CCOCC1 ZINC000415015868 386499828 /nfs/dbraw/zinc/49/98/28/386499828.db2.gz BLFGSRORYIOCQS-GFCCVEGCSA-N 2 0 228.380 1.910 20 0 BDADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@@H]1CC12CC2 ZINC000417332167 386501038 /nfs/dbraw/zinc/50/10/38/386501038.db2.gz CSTZRDZVVIHFLT-NTZNESFSSA-N 2 0 220.360 1.859 20 0 BDADRP CC[N@H+](CC[C@H]1CCC[NH+]1C)[C@@H](C)CO ZINC000339634798 386502507 /nfs/dbraw/zinc/50/25/07/386502507.db2.gz GSSSLGQOLUIGIW-NWDGAFQWSA-N 2 0 214.353 1.173 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C[C@@]1(C)C[NH3+] ZINC000415050201 386505337 /nfs/dbraw/zinc/50/53/37/386505337.db2.gz FMRQNJCLQPWZLR-ZOBORPQBSA-N 3 0 239.407 1.291 20 0 BDADRP CC(C)(C)[NH2+]CCN[C@H](CC[NH3+])C(F)(F)F ZINC000415050634 386506501 /nfs/dbraw/zinc/50/65/01/386506501.db2.gz FWNFNLPWXJWJOW-MRVPVSSYSA-N 2 0 241.301 1.244 20 0 BDADRP [NH3+]CCC[C@H](N[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000415050607 386506589 /nfs/dbraw/zinc/50/65/89/386506589.db2.gz IVITYBSQMSHLIO-CABCVRRESA-N 2 0 247.386 1.808 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CCCN2CC[NH2+]CC2)C1 ZINC000414784129 386507573 /nfs/dbraw/zinc/50/75/73/386507573.db2.gz RNXIGXWMAGAFDM-OLZOCXBDSA-N 2 0 225.380 1.060 20 0 BDADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cccc3c2OCO3)C1 ZINC000415051691 386507970 /nfs/dbraw/zinc/50/79/70/386507970.db2.gz ZNRMLDLBXCBBFJ-CMPLNLGQSA-N 2 0 248.326 1.632 20 0 BDADRP Cc1ccc(CCC[N@@H+](C)C2CC([NH3+])C2)cn1 ZINC000414783629 386507977 /nfs/dbraw/zinc/50/79/77/386507977.db2.gz ZPCMPNRGCAFPTC-UHFFFAOYSA-N 2 0 233.359 1.744 20 0 BDADRP COCC(C)(C)C[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415051645 386509707 /nfs/dbraw/zinc/50/97/07/386509707.db2.gz GYXJZUUSJQTPLQ-DGCLKSJQSA-N 2 0 228.380 1.576 20 0 BDADRP CCc1ncc(C[NH2+][C@@H](C)CCC[NH3+])s1 ZINC000415021867 386510673 /nfs/dbraw/zinc/51/06/73/386510673.db2.gz LBZQIHSBYMFWFK-VIFPVBQESA-N 2 0 227.377 1.923 20 0 BDADRP C[C@@H](CCc1cccc(F)c1)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415021567 386511091 /nfs/dbraw/zinc/51/10/91/386511091.db2.gz BXQLEHGGUBEJGR-BSLXNSKLSA-N 2 0 248.345 1.954 20 0 BDADRP Cn1nccc1C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415023460 386513379 /nfs/dbraw/zinc/51/33/79/386513379.db2.gz LGNZSASTZQVTRP-HAQNSBGRSA-N 2 0 236.363 1.275 20 0 BDADRP Cc1ccncc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000135498987 386514139 /nfs/dbraw/zinc/51/41/39/386514139.db2.gz DAVPUYUDSIRUAU-LBPRGKRZSA-N 2 0 219.332 1.561 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]Cc1c[nH]nc1C(C)(C)C ZINC000415024394 386514866 /nfs/dbraw/zinc/51/48/66/386514866.db2.gz OYDHDAQWVNZIKP-JTQLQIEISA-N 2 0 238.379 1.924 20 0 BDADRP C[C@H]1CCC[C@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000414785762 386515733 /nfs/dbraw/zinc/51/57/33/386515733.db2.gz WCHAVAXTHAEKKV-QWHCGFSZSA-N 2 0 225.380 1.060 20 0 BDADRP Cc1c[nH]nc1CN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000335447200 386515713 /nfs/dbraw/zinc/51/57/13/386515713.db2.gz ABZQENZPWNNTMM-GHMZBOCLSA-N 2 0 222.336 1.277 20 0 BDADRP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415029329 386516332 /nfs/dbraw/zinc/51/63/32/386516332.db2.gz ASGJZXBJDSOONY-WOPDTQHZSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cnc(N(C)C)s1 ZINC000415028301 386516789 /nfs/dbraw/zinc/51/67/89/386516789.db2.gz YMKIFIAAYQRKMM-VIFPVBQESA-N 2 0 242.392 1.426 20 0 BDADRP CCC[C@@H](C)C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415033295 386521560 /nfs/dbraw/zinc/52/15/60/386521560.db2.gz GWHGVGYBUAHUDQ-NEPJUHHUSA-N 2 0 214.353 1.391 20 0 BDADRP C[C@@H]1CCC[C@H](C[NH2+]C[C@H]2C[NH2+]CCCO2)C1 ZINC000415036431 386524290 /nfs/dbraw/zinc/52/42/90/386524290.db2.gz JVRYZQGCTSUVOO-HZSPNIEDSA-N 2 0 240.391 1.781 20 0 BDADRP C(CC1CCCCC1)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415037364 386525050 /nfs/dbraw/zinc/52/50/50/386525050.db2.gz KZOCHMXVFUTGCT-CQSZACIVSA-N 2 0 240.391 1.925 20 0 BDADRP Cc1ccccc1C[C@H](C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415039675 386525877 /nfs/dbraw/zinc/52/58/77/386525877.db2.gz PKUHATSLGBYNKK-SPWCGHHHSA-N 2 0 230.355 1.733 20 0 BDADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cc(O)cc(F)c2)C1 ZINC000415041998 386526668 /nfs/dbraw/zinc/52/66/68/386526668.db2.gz QJCICMZAPHHGPS-SKDRFNHKSA-N 2 0 238.306 1.748 20 0 BDADRP CC[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccccn1 ZINC000094918437 386462788 /nfs/dbraw/zinc/46/27/88/386462788.db2.gz YYEBZOCJHYUWSS-ZDUSSCGKSA-N 2 0 233.359 1.903 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000415076752 386578320 /nfs/dbraw/zinc/57/83/20/386578320.db2.gz BDCLBIHDISQVFH-FQUUOJAGSA-N 2 0 240.391 1.907 20 0 BDADRP CSCC[N@@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000365650125 386581787 /nfs/dbraw/zinc/58/17/87/386581787.db2.gz QNLKPAJLNWVXBC-LLVKDONJSA-N 2 0 239.388 1.963 20 0 BDADRP CCn1cc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cn1 ZINC000414800567 386588278 /nfs/dbraw/zinc/58/82/78/386588278.db2.gz LCLLRKRUOXKITN-QWHCGFSZSA-N 2 0 236.363 1.510 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cnn2ccccc12 ZINC000414801559 386589682 /nfs/dbraw/zinc/58/96/82/386589682.db2.gz UKWCSAXJRVUVBE-YPMHNXCESA-N 2 0 244.342 1.551 20 0 BDADRP CCC([NH3+])(CC)C[NH2+]C1CCSCC1 ZINC000414801319 386590335 /nfs/dbraw/zinc/59/03/35/386590335.db2.gz ABTPTVGNKZVHRP-UHFFFAOYSA-N 2 0 216.394 1.989 20 0 BDADRP CC[N@@H+]1CCCC[C@H]1CNC[C@@H]1CCC[NH2+]C1 ZINC000415083286 386594433 /nfs/dbraw/zinc/59/44/33/386594433.db2.gz PQMJGMSTQHUKGS-KGLIPLIRSA-N 2 0 239.407 1.450 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@](C)(O)C2)[C@H](C)C1 ZINC000417360153 386545064 /nfs/dbraw/zinc/54/50/64/386545064.db2.gz XDAAUNDTSVWJGL-NDBYEHHHSA-N 2 0 226.364 1.220 20 0 BDADRP C[C@H](CCO)[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000332045852 386545245 /nfs/dbraw/zinc/54/52/45/386545245.db2.gz VDVCKBRDRMILMN-MXWKQRLJSA-N 2 0 200.326 1.007 20 0 BDADRP c1cnn(CC[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000063200223 386545633 /nfs/dbraw/zinc/54/56/33/386545633.db2.gz ZFAQOXHWDXWNKG-CQSZACIVSA-N 2 0 248.374 1.347 20 0 BDADRP CSC1(C[N@@H+]2CCn3cncc3C2)CCC1 ZINC000291436304 386545793 /nfs/dbraw/zinc/54/57/93/386545793.db2.gz BONTWQBHHDAQTJ-UHFFFAOYSA-N 2 0 237.372 1.984 20 0 BDADRP [NH3+]C[C@H]1CCC[N@H+](CCc2cccnc2)C1 ZINC000063223655 386546903 /nfs/dbraw/zinc/54/69/03/386546903.db2.gz GUABTRQUMUCCHV-CYBMUJFWSA-N 2 0 219.332 1.295 20 0 BDADRP CC(C)(C)[NH2+]CCN[C@H](C[NH3+])C1CCCC1 ZINC000415070740 386548174 /nfs/dbraw/zinc/54/81/74/386548174.db2.gz VKKJMUKLEKTNAG-GFCCVEGCSA-N 2 0 227.396 1.482 20 0 BDADRP C[N@H+](C[C@@H](O)C[NH3+])CC1CCCCCC1 ZINC000415066449 386549368 /nfs/dbraw/zinc/54/93/68/386549368.db2.gz IQBHJFKERLWVQG-LBPRGKRZSA-N 2 0 214.353 1.208 20 0 BDADRP CCOCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975110 386550718 /nfs/dbraw/zinc/55/07/18/386550718.db2.gz LNMMAFMAXZAUEE-ZIAGYGMSSA-N 2 0 240.391 1.735 20 0 BDADRP CC[N@@H+]1CC[C@@H](NCCC[NH2+]C2CC2)[C@H](C)C1 ZINC000415069197 386551650 /nfs/dbraw/zinc/55/16/50/386551650.db2.gz OHZICJQSATYZJC-TZMCWYRMSA-N 2 0 239.407 1.448 20 0 BDADRP CC[C@@H]1C[N@H+](CCCCCOC)CC[C@H]1[NH3+] ZINC000647936816 386557807 /nfs/dbraw/zinc/55/78/07/386557807.db2.gz LUBLWSUXTWUTMC-CHWSQXEVSA-N 2 0 228.380 1.862 20 0 BDADRP CO[C@H]1CCCC[C@H]1[NH2+]C1CC[NH2+]CC1 ZINC000415073375 386559101 /nfs/dbraw/zinc/55/91/01/386559101.db2.gz AZQFVKZGOLJJHJ-NEPJUHHUSA-N 2 0 212.337 1.286 20 0 BDADRP CC(C)[C@@H](C(=O)NCCCC[NH+](C)C)[C@@H](C)[NH3+] ZINC000399449210 386565614 /nfs/dbraw/zinc/56/56/14/386565614.db2.gz ODNPOCSKNVYHNE-VXGBXAGGSA-N 2 0 243.395 1.064 20 0 BDADRP C[C@H](CC1CCOCC1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415074406 386567123 /nfs/dbraw/zinc/56/71/23/386567123.db2.gz PIWRXWLEOMGGAO-TZMCWYRMSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCCC[C@@H]2CC[NH3+])CC[NH2+]1 ZINC000414794989 386570722 /nfs/dbraw/zinc/57/07/22/386570722.db2.gz UMRXENSFHNMGSD-MGPQQGTHSA-N 3 0 239.407 1.578 20 0 BDADRP COC(=O)C(C)(C)C[NH2+]C[C@H]([NH3+])CC(C)C ZINC000415114633 386621321 /nfs/dbraw/zinc/62/13/21/386621321.db2.gz SZCGZLSQOOUNOL-SNVBAGLBSA-N 2 0 230.352 1.149 20 0 BDADRP CCOC[C@@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000336782012 386621801 /nfs/dbraw/zinc/62/18/01/386621801.db2.gz WLNWPPXSYMOCBT-PNESKVBLSA-N 2 0 228.380 1.874 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+][C@H]1CCCOCC1 ZINC000415103581 386622713 /nfs/dbraw/zinc/62/27/13/386622713.db2.gz KPGPKGPJLIAUQK-RYUDHWBXSA-N 2 0 214.353 1.519 20 0 BDADRP C([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CCC[NH2+]C1 ZINC000415103712 386623202 /nfs/dbraw/zinc/62/32/02/386623202.db2.gz CWLSWCRAZPMCMP-QNWHQSFQSA-N 2 0 208.349 1.764 20 0 BDADRP COC(=O)C1(C[NH2+]C2CCC(C[NH3+])CC2)CC1 ZINC000415104239 386625000 /nfs/dbraw/zinc/62/50/00/386625000.db2.gz KNIAZJCGAOTSET-UHFFFAOYSA-N 2 0 240.347 1.047 20 0 BDADRP CCSCCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000300859101 386627766 /nfs/dbraw/zinc/62/77/66/386627766.db2.gz CFKRPGOMTFYIQR-WDEREUQCSA-N 2 0 216.394 1.847 20 0 BDADRP CC(C)([NH3+])CNCc1c[nH]c(-c2ccccc2)n1 ZINC000414810517 386629648 /nfs/dbraw/zinc/62/96/48/386629648.db2.gz XEXKVTYUWAHPAU-UHFFFAOYSA-N 2 0 244.342 1.904 20 0 BDADRP Cc1cc[nH+]c(NCCCC[NH+]2CCOCC2)c1 ZINC000268296657 386638701 /nfs/dbraw/zinc/63/87/01/386638701.db2.gz FYLSZOVFMGJQQD-UHFFFAOYSA-N 2 0 249.358 1.914 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN[C@@H]1CCC[NH2+][C@@H]1C ZINC000415145625 386642643 /nfs/dbraw/zinc/64/26/43/386642643.db2.gz WUWIQPXAQXSOBP-IJLUTSLNSA-N 2 0 213.369 1.090 20 0 BDADRP Cc1ccccc1OCC[NH2+]CC1CC[NH2+]CC1 ZINC000415087464 386606668 /nfs/dbraw/zinc/60/66/68/386606668.db2.gz UQMVDAAEYJKXNS-UHFFFAOYSA-N 2 0 248.370 1.963 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@H]1CCC[NH2+]CC1 ZINC000414805204 386611609 /nfs/dbraw/zinc/61/16/09/386611609.db2.gz AGFSWKJXBKOLAG-NWDGAFQWSA-N 2 0 213.369 1.236 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2C[C@@H]3C[C@H]2CS3)CC[NH2+]1 ZINC000415108995 386615786 /nfs/dbraw/zinc/61/57/86/386615786.db2.gz LLTUIYZNMKWGTI-RHYQMDGZSA-N 2 0 226.389 1.564 20 0 BDADRP CO[C@H](C[N@H+](C)CC1CC[NH+](C)CC1)C1CC1 ZINC000644922925 386616787 /nfs/dbraw/zinc/61/67/87/386616787.db2.gz NVYNCFAPAPGZKY-CQSZACIVSA-N 2 0 240.391 1.685 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+]CCCn1ccnc1 ZINC000415098962 386616943 /nfs/dbraw/zinc/61/69/43/386616943.db2.gz GFEIHTNJKAOVHP-LBPRGKRZSA-N 2 0 224.352 1.236 20 0 BDADRP COC[C@@H](CC(C)C)[NH2+]CC[C@H](C)[NH3+] ZINC000414819832 386659976 /nfs/dbraw/zinc/65/99/76/386659976.db2.gz IJYHRFRXRKQDKW-WDEREUQCSA-N 2 0 202.342 1.374 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000520416708 386669440 /nfs/dbraw/zinc/66/94/40/386669440.db2.gz PWGJREYYDMZMSX-LOWDOPEQSA-N 2 0 226.364 1.397 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000520416709 386670400 /nfs/dbraw/zinc/67/04/00/386670400.db2.gz PWGJREYYDMZMSX-LPWJVIDDSA-N 2 0 226.364 1.397 20 0 BDADRP c1nc(C[NH2+]CCC[C@H]2CCC[NH2+]2)cs1 ZINC000336760045 386677021 /nfs/dbraw/zinc/67/70/21/386677021.db2.gz LXTYHDYCTMMCHP-JTQLQIEISA-N 2 0 225.361 1.765 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CN(C2CC2)C[C@H]1C)C(C)C ZINC000352834693 386680335 /nfs/dbraw/zinc/68/03/35/386680335.db2.gz VWOZRISCUUQXPL-KWCYVHTRSA-N 2 0 240.391 1.730 20 0 BDADRP C[C@H]([NH3+])CCN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000414818566 386656913 /nfs/dbraw/zinc/65/69/13/386656913.db2.gz FLQRDZUJVLWKKT-AVGNSLFASA-N 2 0 227.396 1.624 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000414830844 386710921 /nfs/dbraw/zinc/71/09/21/386710921.db2.gz CMMQJBZXWRIVJE-QCNOEVLYSA-N 2 0 226.364 1.245 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(NC(C)=O)cc1 ZINC000414830742 386711061 /nfs/dbraw/zinc/71/10/61/386711061.db2.gz CJBAGSOYISFQMH-LLVKDONJSA-N 2 0 249.358 1.590 20 0 BDADRP C(C[C@H]1CC[NH2+]C1)[NH2+]C[C@H]1CCCOC1 ZINC000414827482 386694742 /nfs/dbraw/zinc/69/47/42/386694742.db2.gz HASSHCPUDJEQDH-VXGBXAGGSA-N 2 0 212.337 1.002 20 0 BDADRP [NH3+][C@H](CN[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000414828297 386696938 /nfs/dbraw/zinc/69/69/38/386696938.db2.gz IOPFKXQSKOJQIS-ZIAGYGMSSA-N 2 0 233.359 1.418 20 0 BDADRP Cc1ccc(O)c(C[NH2+]C[C@H]2CCC[NH2+]C2)n1 ZINC000414828226 386697830 /nfs/dbraw/zinc/69/78/30/386697830.db2.gz LWUIQDVYNCCVHB-NSHDSACASA-N 2 0 235.331 1.185 20 0 BDADRP Cc1ncccc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414827969 386698897 /nfs/dbraw/zinc/69/88/97/386698897.db2.gz LKDXXWXYQPEOEU-LBPRGKRZSA-N 2 0 219.332 1.479 20 0 BDADRP C1CC1[C@@H]1CCC[C@H]1[NH2+]C1CC[NH2+]CC1 ZINC000335483603 386712073 /nfs/dbraw/zinc/71/20/73/386712073.db2.gz ORXWETOVCJOJFX-QWHCGFSZSA-N 2 0 208.349 1.907 20 0 BDADRP CC(C)C[C@H]([NH3+])c1noc([C@H]2CC[N@H+](C)C2)n1 ZINC000520580631 386701658 /nfs/dbraw/zinc/70/16/58/386701658.db2.gz DETYIIVKKQJZDB-UWVGGRQHSA-N 2 0 238.335 1.535 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCNc2ccccn2)CC[N@@H+]1C ZINC000268996051 386735263 /nfs/dbraw/zinc/73/52/63/386735263.db2.gz NRGJTDSLZHJIJB-CHWSQXEVSA-N 2 0 248.374 1.566 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000414832239 386715940 /nfs/dbraw/zinc/71/59/40/386715940.db2.gz FEMNKDLDPNNREA-LOWDOPEQSA-N 2 0 238.375 1.389 20 0 BDADRP [NH3+][C@@H](CN[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000414834730 386724486 /nfs/dbraw/zinc/72/44/86/386724486.db2.gz QTECQCFNXBTEIV-OLZOCXBDSA-N 2 0 219.332 1.028 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+]C[C@H]1CCSC1 ZINC000414835682 386728420 /nfs/dbraw/zinc/72/84/20/386728420.db2.gz HMNQCGQZAZGBBP-NXEZZACHSA-N 2 0 202.367 1.185 20 0 BDADRP N[C@H](C[NH2+]CC1CC[NH2+]CC1)c1ccccc1 ZINC000414835255 386728769 /nfs/dbraw/zinc/72/87/69/386728769.db2.gz RINFDPXQUPKQPZ-CQSZACIVSA-N 2 0 233.359 1.276 20 0 BDADRP C[C@H]1CC2(C[N@@H+]1CC(C)(C)[NH3+])CC[NH2+]CC2 ZINC000335544620 386730147 /nfs/dbraw/zinc/73/01/47/386730147.db2.gz ULRDTCGIGBOPBA-NSHDSACASA-N 3 0 225.380 1.188 20 0 BDADRP C1CC([NH+]2CCC([NH2+]C3CCOCC3)CC2)C1 ZINC000335539217 386744996 /nfs/dbraw/zinc/74/49/96/386744996.db2.gz SJDOTYJFDKYUIS-UHFFFAOYSA-N 2 0 238.375 1.772 20 0 BDADRP Cc1n[nH]c(C)c1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414843013 386757964 /nfs/dbraw/zinc/75/79/64/386757964.db2.gz BRRSDKDZJRDXDX-LBPRGKRZSA-N 2 0 236.363 1.506 20 0 BDADRP Cc1nccn1CC[N@@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000334634655 386766144 /nfs/dbraw/zinc/76/61/44/386766144.db2.gz NMXIBLNZJVNBKT-OLZOCXBDSA-N 2 0 249.358 1.548 20 0 BDADRP CC(C)(C)[C@H](C[NH3+])NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000417830482 386790000 /nfs/dbraw/zinc/79/00/00/386790000.db2.gz HCAUOPUSKQGHDQ-QWRGUYRKSA-N 2 0 241.379 1.008 20 0 BDADRP CC[C@H]1CCC[N@@H+]1C[C@@H](O)CN(C)C1CC1 ZINC000336665655 386772783 /nfs/dbraw/zinc/77/27/83/386772783.db2.gz PQDWOJZWULQLPK-AAEUAGOBSA-N 2 0 226.364 1.316 20 0 BDADRP CO[C@@H]1CC[C@@H]([NH2+][C@H](C)CCCC[NH3+])C1 ZINC000336672910 386823231 /nfs/dbraw/zinc/82/32/31/386823231.db2.gz GRAAHXJAGRGING-IJLUTSLNSA-N 2 0 214.353 1.661 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)[C@@H](C)O1 ZINC000395077005 386844698 /nfs/dbraw/zinc/84/46/98/386844698.db2.gz UKBGYVYPIYUVGQ-IJLUTSLNSA-N 2 0 214.353 1.484 20 0 BDADRP CCC1CCC([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000334845364 386891950 /nfs/dbraw/zinc/89/19/50/386891950.db2.gz GMQNFPRMZGEQSI-NGEZQELSSA-N 2 0 208.349 1.763 20 0 BDADRP CC(C)[C@H](O)C1(C[NH2+][C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000331562371 386870431 /nfs/dbraw/zinc/87/04/31/386870431.db2.gz XJCVZIHIBJAPBU-SRVKXCTJSA-N 2 0 226.364 1.253 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)C[C@@H]1CCCCO1 ZINC000051919143 386872859 /nfs/dbraw/zinc/87/28/59/386872859.db2.gz RCCOLFKNZUXYTP-KBPBESRZSA-N 2 0 240.391 1.877 20 0 BDADRP CC[N@@H+]1CCCN(c2cc[nH+]cc2C)CC1 ZINC000334833736 386873310 /nfs/dbraw/zinc/87/33/10/386873310.db2.gz YYWTYXPZWMLYDY-UHFFFAOYSA-N 2 0 219.332 1.922 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCN1Cc1ccccc1N(C)C ZINC000334842104 386885503 /nfs/dbraw/zinc/88/55/03/386885503.db2.gz KOZGAVUDBLDSPU-DGCLKSJQSA-N 2 0 233.359 1.674 20 0 BDADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CC2CC2)CC1 ZINC000334862407 386917468 /nfs/dbraw/zinc/91/74/68/386917468.db2.gz LIFSRUGECYZXTE-KBPBESRZSA-N 2 0 238.375 1.615 20 0 BDADRP Cc1ccc(C)c(C[NH2+]C[C@@]2(O)CCN(C)C2)c1 ZINC000358136601 386896357 /nfs/dbraw/zinc/89/63/57/386896357.db2.gz LKGKOAZTKADWPG-HNNXBMFYSA-N 2 0 248.370 1.460 20 0 BDADRP C[C@H]([NH2+]C1CC[NH2+]CC1)[C@@H]1COc2ccccc21 ZINC000334848844 386897312 /nfs/dbraw/zinc/89/73/12/386897312.db2.gz LVDLNYHEIKJFPG-FZMZJTMJSA-N 2 0 246.354 1.893 20 0 BDADRP CC[C@H]1C[C@@H](C[N@@H+]2CCC[NH2+]CC2)CCO1 ZINC000334850922 386900216 /nfs/dbraw/zinc/90/02/16/386900216.db2.gz AXJXGSWNDHPIAN-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@]1(C[NH2+]C2CCSCC2)CCC[NH2+]C1 ZINC000334873695 386934241 /nfs/dbraw/zinc/93/42/41/386934241.db2.gz IHHJWVLJODJBFH-GFCCVEGCSA-N 2 0 228.405 1.861 20 0 BDADRP [NH3+][C@H]1C[C@@H](N[C@@H]2CCCC[C@H]2[NH3+])c2ccccc21 ZINC000331976299 386935675 /nfs/dbraw/zinc/93/56/75/386935675.db2.gz KOTODDKLZCYEQM-LXTVHRRPSA-N 2 0 245.370 1.991 20 0 BDADRP CC1(C)CCCC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000334875865 386937474 /nfs/dbraw/zinc/93/74/74/386937474.db2.gz XVZHPKNTNSMLAG-STQMWFEESA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H](CC[NH+](C)C)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000352902876 386956435 /nfs/dbraw/zinc/95/64/35/386956435.db2.gz SPFLNQHMZATZCE-BZPMIXESSA-N 2 0 239.407 1.399 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@H]1CC[C@@H]1SC ZINC000425352046 386960217 /nfs/dbraw/zinc/96/02/17/386960217.db2.gz HKGJRQJLAAZVQQ-RYUDHWBXSA-N 2 0 246.420 1.438 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CC[C@H]2SC)C1 ZINC000425363732 386972907 /nfs/dbraw/zinc/97/29/07/386972907.db2.gz XTVCDTNMNPLTEN-GRYCIOLGSA-N 2 0 228.405 1.812 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000332432684 386978667 /nfs/dbraw/zinc/97/86/67/386978667.db2.gz VOEHPQZEWPUVMT-RFQIPJPRSA-N 2 0 239.407 1.480 20 0 BDADRP C[NH2+]Cc1ccccc1NC(=O)CC[NH2+]C1CC1 ZINC000518999672 386982449 /nfs/dbraw/zinc/98/24/49/386982449.db2.gz JJMZJVFYCYWQBW-UHFFFAOYSA-N 2 0 247.342 1.487 20 0 BDADRP c1cc(CN[C@H]2CCC[NH2+]C2)c2c(c1)NCCC2 ZINC000334820735 386950075 /nfs/dbraw/zinc/95/00/75/386950075.db2.gz SWUABCBDXQIHOQ-ZDUSSCGKSA-N 2 0 245.370 1.886 20 0 BDADRP CCC[C@H](O)C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000332055249 386950454 /nfs/dbraw/zinc/95/04/54/386950454.db2.gz XBJZCIJQECZXGN-SDDRHHMPSA-N 2 0 214.353 1.397 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[N@H+](C)C[C@@H]1CCOC1 ZINC000398993916 387034596 /nfs/dbraw/zinc/03/45/96/387034596.db2.gz QLENBNDODMFPFZ-NWDGAFQWSA-N 2 0 214.353 1.328 20 0 BDADRP CC(C)(CO)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000168597203 387036419 /nfs/dbraw/zinc/03/64/19/387036419.db2.gz SCDDMVXOQUBKGQ-WDEREUQCSA-N 2 0 214.353 1.112 20 0 BDADRP CC(C)(CO)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000168597117 387036568 /nfs/dbraw/zinc/03/65/68/387036568.db2.gz SCDDMVXOQUBKGQ-MNOVXSKESA-N 2 0 214.353 1.112 20 0 BDADRP CC(C)(O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000334978973 387066553 /nfs/dbraw/zinc/06/65/53/387066553.db2.gz DQQNIHVLLITVNW-NWDGAFQWSA-N 2 0 226.364 1.079 20 0 BDADRP [NH3+]CC[C@H]1CCC[N@H+](CCc2cccnc2)C1 ZINC000070074303 387044230 /nfs/dbraw/zinc/04/42/30/387044230.db2.gz QQKJXEKFLSDMRF-CQSZACIVSA-N 2 0 233.359 1.685 20 0 BDADRP CCC1CC([NH2+]CCOCC[NH+](C)C)C1 ZINC000336764452 387048091 /nfs/dbraw/zinc/04/80/91/387048091.db2.gz PZHGDOZSMGLJJB-UHFFFAOYSA-N 2 0 214.353 1.343 20 0 BDADRP CC[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000334967295 387050521 /nfs/dbraw/zinc/05/05/21/387050521.db2.gz IYFLBNGENUXWME-RYUDHWBXSA-N 2 0 212.337 1.225 20 0 BDADRP CC(C)[NH+](CCNC(=O)CC[C@H](C)[NH3+])C(C)C ZINC000070314627 387062982 /nfs/dbraw/zinc/06/29/82/387062982.db2.gz HGRLXQYSCOKNQV-LBPRGKRZSA-N 2 0 243.395 1.349 20 0 BDADRP C[C@H](CC(N)=O)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000341966991 387009978 /nfs/dbraw/zinc/00/99/78/387009978.db2.gz JAQLVFSWCUMNIE-LLVKDONJSA-N 2 0 249.358 1.102 20 0 BDADRP c1ccc(CC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000088301001 387017937 /nfs/dbraw/zinc/01/79/37/387017937.db2.gz PBYNZHYSVIFBBA-KBPBESRZSA-N 2 0 216.328 1.380 20 0 BDADRP Cc1ccc(O)c(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)n1 ZINC000216070521 387029474 /nfs/dbraw/zinc/02/94/74/387029474.db2.gz PZIYGENJNIOVTP-WDEREUQCSA-N 2 0 235.331 1.265 20 0 BDADRP C[C@H]([NH3+])CCC(=O)NCC[N@H+](C)C1CCCC1 ZINC000070318114 387066256 /nfs/dbraw/zinc/06/62/56/387066256.db2.gz YDTVLFJZZONXEZ-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP C[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)[C@@H](C)CN1 ZINC000334983416 387069320 /nfs/dbraw/zinc/06/93/20/387069320.db2.gz KBMUCMSDUDWAEB-NEPJUHHUSA-N 2 0 225.380 1.058 20 0 BDADRP Fc1ccc2c(c1)[C@H]([NH+]1C[C@@H]3C[NH2+]C[C@H]3C1)CC2 ZINC000359294110 387080310 /nfs/dbraw/zinc/08/03/10/387080310.db2.gz AYQVJTREQUWISS-SLEUVZQESA-N 2 0 246.329 1.964 20 0 BDADRP Cc1cc(N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc[nH+]1 ZINC000334991274 387081058 /nfs/dbraw/zinc/08/10/58/387081058.db2.gz CQTYAATWSPESRI-TXEJJXNPSA-N 2 0 217.316 1.721 20 0 BDADRP CO[C@@H](C)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000370003532 387081946 /nfs/dbraw/zinc/08/19/46/387081946.db2.gz BPYLFLFRWZIKDZ-ZDUSSCGKSA-N 2 0 240.391 1.829 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@H](C)C[C@@H](C)[NH3+] ZINC000423298893 387130802 /nfs/dbraw/zinc/13/08/02/387130802.db2.gz PCNITGJSGSHZRP-GMTAPVOTSA-N 2 0 201.358 1.219 20 0 BDADRP C(C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)[C@@H]1CC[NH2+]C1 ZINC000334994006 387084194 /nfs/dbraw/zinc/08/41/94/387084194.db2.gz REJSFCLWXLZLOX-UONOGXRCSA-N 3 0 237.391 1.062 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000228294469 387085924 /nfs/dbraw/zinc/08/59/24/387085924.db2.gz SVQAUNBFXDIALG-XQQFMLRXSA-N 2 0 228.380 1.502 20 0 BDADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCOC2)CC1 ZINC000070967856 387086014 /nfs/dbraw/zinc/08/60/14/387086014.db2.gz YLEGZDUQFUXBET-LBPRGKRZSA-N 2 0 226.364 1.628 20 0 BDADRP FCCC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000334994988 387086311 /nfs/dbraw/zinc/08/63/11/387086311.db2.gz XRDORZMUZNHBTL-LLVKDONJSA-N 2 0 200.301 1.422 20 0 BDADRP CC(=O)CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000639498293 387099998 /nfs/dbraw/zinc/09/99/98/387099998.db2.gz YKZKQBOHFBXYDJ-CYBMUJFWSA-N 2 0 224.348 1.526 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCCF)C[C@H]21 ZINC000228546818 387102472 /nfs/dbraw/zinc/10/24/72/387102472.db2.gz TULZYEMYDRUIAB-HBNTYKKESA-N 2 0 200.301 1.405 20 0 BDADRP COCCCC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000228707448 387112978 /nfs/dbraw/zinc/11/29/78/387112978.db2.gz CSPMDSIGJWSKKP-CQSZACIVSA-N 2 0 240.391 1.877 20 0 BDADRP CC[C@](C)(O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000119428525 387132180 /nfs/dbraw/zinc/13/21/80/387132180.db2.gz WSQIXEOSQQLNLT-MCIONIFRSA-N 2 0 240.391 1.564 20 0 BDADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H](C)C[NH3+])[C@@H]1C ZINC000423306529 387141679 /nfs/dbraw/zinc/14/16/79/387141679.db2.gz LPUFMOJXCDJZNZ-USZNOCQGSA-N 2 0 242.363 1.149 20 0 BDADRP CCC[NH2+]CCN[C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423307552 387142833 /nfs/dbraw/zinc/14/28/33/387142833.db2.gz HAWROUACDRKAMH-ZFWWWQNUSA-N 2 0 249.402 1.534 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)C[NH3+])C12CCCC2 ZINC000423310288 387147140 /nfs/dbraw/zinc/14/71/40/387147140.db2.gz RRVOFUKMQGVRFX-RWMBFGLXSA-N 2 0 240.391 1.909 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)C[NH3+])C12CCC2 ZINC000423309220 387147163 /nfs/dbraw/zinc/14/71/63/387147163.db2.gz PWGYTUMMMXUOCA-QJPTWQEYSA-N 2 0 226.364 1.519 20 0 BDADRP C([NH2+][C@@H]1CCCC[C@@H]1C1CC1)C1C[NH2+]C1 ZINC000423309113 387147198 /nfs/dbraw/zinc/14/71/98/387147198.db2.gz YZRAEVNYVOUWBO-CHWSQXEVSA-N 2 0 208.349 1.764 20 0 BDADRP C[C@H](C[NH3+])CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000423310895 387148392 /nfs/dbraw/zinc/14/83/92/387148392.db2.gz SOJUAPBSTWAODV-XQHKEYJVSA-N 2 0 225.380 1.044 20 0 BDADRP CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@H](C)C[NH3+])C1(C)C ZINC000423311869 387148594 /nfs/dbraw/zinc/14/85/94/387148594.db2.gz UOBNRGRFGKRVSI-IJLUTSLNSA-N 2 0 228.380 1.763 20 0 BDADRP CCC[NH2+]CC[NH2+][C@H](C)CCCOC ZINC000423310792 387149903 /nfs/dbraw/zinc/14/99/03/387149903.db2.gz OLHYWCOBIKKHMT-LLVKDONJSA-N 2 0 202.342 1.391 20 0 BDADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H]([NH3+])C1CC1 ZINC000423313182 387150622 /nfs/dbraw/zinc/15/06/22/387150622.db2.gz FIFFOWYVXDMVJT-NILFDRSVSA-N 2 0 247.386 1.272 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000229291691 387150992 /nfs/dbraw/zinc/15/09/92/387150992.db2.gz VFSPIWKNFLVYHI-JHJVBQTASA-N 2 0 226.364 1.221 20 0 BDADRP CCC[NH2+]CC[NH2+][C@@H]1CCC[C@@H]1COCC ZINC000423313480 387151989 /nfs/dbraw/zinc/15/19/89/387151989.db2.gz UJJSRZNQVHXYIF-CHWSQXEVSA-N 2 0 228.380 1.781 20 0 BDADRP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@@H]([NH3+])C2CC2)C1(C)C ZINC000423313316 387152531 /nfs/dbraw/zinc/15/25/31/387152531.db2.gz FLZCVFVXQQKQTM-FRRDWIJNSA-N 2 0 240.391 1.905 20 0 BDADRP CCOCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000250382446 387156007 /nfs/dbraw/zinc/15/60/07/387156007.db2.gz IXRYQUSXQHHMJW-MGPQQGTHSA-N 2 0 240.391 1.923 20 0 BDADRP CC[N@@H+]1C[C@H](C)[C@H](NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000423320056 387163091 /nfs/dbraw/zinc/16/30/91/387163091.db2.gz FAGOLIYDXYXDOG-MJBXVCDLSA-N 2 0 239.407 1.306 20 0 BDADRP C[C@]1(CN[C@@H]2CCC[C@H]2C[NH3+])CCC[NH2+]C1 ZINC000423323222 387168158 /nfs/dbraw/zinc/16/81/58/387168158.db2.gz ADSCUGKTQLSWOY-XQQFMLRXSA-N 2 0 225.380 1.093 20 0 BDADRP CC(C)O[C@@H]1C[C@@H]([NH2+]CCCC[NH3+])C1(C)C ZINC000423342519 387193331 /nfs/dbraw/zinc/19/33/31/387193331.db2.gz YWGULACBSNGXTA-VXGBXAGGSA-N 2 0 228.380 1.907 20 0 BDADRP CCN(CC)C(=O)C[C@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000423327488 387169177 /nfs/dbraw/zinc/16/91/77/387169177.db2.gz NFNPRXRPVKVRTK-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP C[C@H](C[NH3+])N[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423330450 387176728 /nfs/dbraw/zinc/17/67/28/387176728.db2.gz PEZLAROCORIAFY-MROQNXINSA-N 2 0 225.380 1.234 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]([NH3+])C2CC2)C12CCC2 ZINC000423333083 387178235 /nfs/dbraw/zinc/17/82/35/387178235.db2.gz VJMKPCFTHSFYCA-YNEHKIRRSA-N 2 0 238.375 1.661 20 0 BDADRP C[C@H]([NH2+]CC1([NH3+])CCC1)C1CCSCC1 ZINC000423335931 387184155 /nfs/dbraw/zinc/18/41/55/387184155.db2.gz UKGWUBNENASTJK-JTQLQIEISA-N 2 0 228.405 1.989 20 0 BDADRP COC[C@H]([NH2+]CCCC[NH3+])C1CCCC1 ZINC000423336580 387184335 /nfs/dbraw/zinc/18/43/35/387184335.db2.gz USLQDIVEYXELDP-LBPRGKRZSA-N 2 0 214.353 1.520 20 0 BDADRP C[NH2+]CCSC[C@H](C[NH3+])c1ccc(F)cc1 ZINC000571879067 387189439 /nfs/dbraw/zinc/18/94/39/387189439.db2.gz ZKUHBTCPOOLOGV-NSHDSACASA-N 2 0 242.363 1.821 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000423303993 387138023 /nfs/dbraw/zinc/13/80/23/387138023.db2.gz XXOXUGNWNFFJJH-ZANVPECISA-N 2 0 222.307 1.997 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423305052 387139768 /nfs/dbraw/zinc/13/97/68/387139768.db2.gz KAJOYTAACUWRRW-UMSGYPCISA-N 2 0 238.375 1.519 20 0 BDADRP C[C@H](CCc1cccc(F)c1)[NH2+]CC1C[NH2+]C1 ZINC000423305288 387140100 /nfs/dbraw/zinc/14/01/00/387140100.db2.gz QKNCBVWIQCMIDE-LLVKDONJSA-N 2 0 236.334 1.956 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423425475 387252489 /nfs/dbraw/zinc/25/24/89/387252489.db2.gz GUSFZPZFMTXWLU-IJLUTSLNSA-N 3 0 213.369 1.234 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1N[C@@H]1CCC[NH2+]C1 ZINC000423353116 387205319 /nfs/dbraw/zinc/20/53/19/387205319.db2.gz CIPPMMLKEVAPBU-XQHKEYJVSA-N 2 0 225.380 1.057 20 0 BDADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)C1(C)C ZINC000423364468 387214872 /nfs/dbraw/zinc/21/48/72/387214872.db2.gz OOTBVGFHSJWPNB-FDYHWXHSSA-N 2 0 240.391 1.778 20 0 BDADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1cn[nH]c1 ZINC000572001341 387218834 /nfs/dbraw/zinc/21/88/34/387218834.db2.gz MDXWXNRGQJAJAL-JTQLQIEISA-N 2 0 230.315 1.719 20 0 BDADRP CCn1cc([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000423365443 387218935 /nfs/dbraw/zinc/21/89/35/387218935.db2.gz BHIRFJPQLXNSPL-UHTWSYAYSA-N 2 0 236.363 1.824 20 0 BDADRP CO[C@@H](C)[C@H](C)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423368577 387221535 /nfs/dbraw/zinc/22/15/35/387221535.db2.gz SBZATRJQROHLRZ-GARJFASQSA-N 2 0 200.326 1.142 20 0 BDADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)[C@@H]1CCOC1 ZINC000353521974 387221717 /nfs/dbraw/zinc/22/17/17/387221717.db2.gz SUWQAWXBACUVNZ-MRFVTOPCSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423367795 387222188 /nfs/dbraw/zinc/22/21/88/387222188.db2.gz RKPKLHJBXHHITC-SYQHCUMBSA-N 2 0 239.407 1.447 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000423369409 387223471 /nfs/dbraw/zinc/22/34/71/387223471.db2.gz BXZRWJJVZZYZOD-RQJABVFESA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H](NC[C@]1(C)CCC[NH2+]C1)c1c[nH+]ccc1N ZINC000423325355 387229022 /nfs/dbraw/zinc/22/90/22/387229022.db2.gz BTMKQXACYAWZCQ-BXUZGUMPSA-N 2 0 248.374 1.534 20 0 BDADRP C[C@@H](C[NH3+])N[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423398915 387233727 /nfs/dbraw/zinc/23/37/27/387233727.db2.gz PEZLAROCORIAFY-QNWHQSFQSA-N 2 0 225.380 1.234 20 0 BDADRP C[C@@H](Cc1cnccn1)[NH2+]C1CCN(C)CC1 ZINC000360170871 387236097 /nfs/dbraw/zinc/23/60/97/387236097.db2.gz PKIGPEBNFJFPPM-NSHDSACASA-N 2 0 234.347 1.091 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH2+]CC2)C1 ZINC000643497329 387237056 /nfs/dbraw/zinc/23/70/56/387237056.db2.gz HWNHAUQOPVMWAN-CHWSQXEVSA-N 2 0 226.364 1.533 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000300709486 387239224 /nfs/dbraw/zinc/23/92/24/387239224.db2.gz GWWFJJGUSHFLBX-MELADBBJSA-N 2 0 242.407 1.891 20 0 BDADRP C[NH2+][C@@H](C)C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000423404334 387241271 /nfs/dbraw/zinc/24/12/71/387241271.db2.gz YBFDRJGHHBWMRQ-WHOHXGKFSA-N 2 0 224.348 1.142 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000423406234 387242687 /nfs/dbraw/zinc/24/26/87/387242687.db2.gz UMNAMUAZQCBSED-FQUUOJAGSA-N 2 0 240.391 1.779 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000423406239 387243722 /nfs/dbraw/zinc/24/37/22/387243722.db2.gz UMNAMUAZQCBSED-RFGFWPKPSA-N 2 0 240.391 1.779 20 0 BDADRP COC[C@]1(C[NH2+][C@H](C)[C@H]2CC2(C)C)CCC[NH2+]1 ZINC000423414003 387245870 /nfs/dbraw/zinc/24/58/70/387245870.db2.gz LVEKMQZXEPERPQ-YRGRVCCFSA-N 2 0 240.391 1.779 20 0 BDADRP CCC1CC([NH2+]C[C@]2(COC)CCC[NH2+]2)C1 ZINC000423411687 387245961 /nfs/dbraw/zinc/24/59/61/387245961.db2.gz GEXBTGLOLZBOND-BPCQOVAHSA-N 2 0 226.364 1.533 20 0 BDADRP CCC1CC([NH2+]C[C@@]2(COC)CCC[NH2+]2)C1 ZINC000423411688 387246943 /nfs/dbraw/zinc/24/69/43/387246943.db2.gz GEXBTGLOLZBOND-WXRRBKDZSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1cccc(CO)c1 ZINC000423409317 387247213 /nfs/dbraw/zinc/24/72/13/387247213.db2.gz YRJHVPXGCYJAJV-SLEUVZQESA-N 2 0 248.370 1.828 20 0 BDADRP Cc1cnc(CN2CCCC[C@@H]2CC[NH3+])cn1 ZINC000352487440 387248045 /nfs/dbraw/zinc/24/80/45/387248045.db2.gz FCFYRBWKGLGHHB-CYBMUJFWSA-N 2 0 234.347 1.488 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1cnccn1 ZINC000423416645 387249206 /nfs/dbraw/zinc/24/92/06/387249206.db2.gz DCNRXFVKTFAJFV-JHJVBQTASA-N 2 0 248.374 1.892 20 0 BDADRP CC1(C)CCC[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000423422700 387250712 /nfs/dbraw/zinc/25/07/12/387250712.db2.gz DGGFUCCNVDXYEC-NNYUYHANSA-N 2 0 208.349 1.763 20 0 BDADRP COCCC[C@@H](C)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423421145 387250914 /nfs/dbraw/zinc/25/09/14/387250914.db2.gz ATARZBGUAQFRAJ-KWCYVHTRSA-N 2 0 240.391 1.779 20 0 BDADRP CCC1(CC)[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@H]1OC ZINC000423426723 387252059 /nfs/dbraw/zinc/25/20/59/387252059.db2.gz HWBMDKZBTAUWHT-MLGHIDQZSA-N 2 0 238.375 1.388 20 0 BDADRP CC[C@H](O)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353396419 387194928 /nfs/dbraw/zinc/19/49/28/387194928.db2.gz SUGCOPBELBJMSX-REWJHTLYSA-N 2 0 240.391 1.610 20 0 BDADRP C[N@@H+]1CC[C@H](NCC(F)(F)CN)[C@@H]2CCC[C@@H]21 ZINC000423349436 387201110 /nfs/dbraw/zinc/20/11/10/387201110.db2.gz WTMMRSXFDDNIIY-DCAQKATOSA-N 2 0 247.333 1.043 20 0 BDADRP C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)OCC1CC1 ZINC000360549298 387309777 /nfs/dbraw/zinc/30/97/77/387309777.db2.gz FJKBEOXIRLPNTL-CYBMUJFWSA-N 2 0 224.348 1.098 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CCC[NH2+]1 ZINC000423461964 387311005 /nfs/dbraw/zinc/31/10/05/387311005.db2.gz DAXXMXQLFQRZJO-QNWHQSFQSA-N 3 0 225.380 1.234 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC000423461962 387311025 /nfs/dbraw/zinc/31/10/25/387311025.db2.gz DAXXMXQLFQRZJO-CYDGBPFRSA-N 3 0 225.380 1.234 20 0 BDADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)[C@@H]1CCCC[NH2+]1 ZINC000423465975 387312508 /nfs/dbraw/zinc/31/25/08/387312508.db2.gz AGTITRPOTRULHB-IHRRRGAJSA-N 3 0 239.407 1.639 20 0 BDADRP C[C@@H]1CCNC[C@H]1[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423466482 387314236 /nfs/dbraw/zinc/31/42/36/387314236.db2.gz AQGCKFVVEMJDQP-FRRDWIJNSA-N 2 0 225.380 1.106 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000423374356 387254977 /nfs/dbraw/zinc/25/49/77/387254977.db2.gz IHTONSIYTFQQKK-ZRUFSTJUSA-N 2 0 200.326 1.269 20 0 BDADRP C[C@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)[C@H](C)O1 ZINC000423382200 387265696 /nfs/dbraw/zinc/26/56/96/387265696.db2.gz ODAITCZMSRPHLS-YBXAARCKSA-N 2 0 212.337 1.282 20 0 BDADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000423382811 387265858 /nfs/dbraw/zinc/26/58/58/387265858.db2.gz PDTOFDBIQURVPR-WUHRBBMRSA-N 2 0 225.380 1.057 20 0 BDADRP C[C@@H](Cc1ccoc1)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000423385380 387268234 /nfs/dbraw/zinc/26/82/34/387268234.db2.gz QWGOVWQWFPHOHE-MDZLAQPJSA-N 2 0 222.332 1.941 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423470283 387317528 /nfs/dbraw/zinc/31/75/28/387317528.db2.gz DBRBZIBARFTIHM-XQQFMLRXSA-N 3 0 225.380 1.236 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCC12CCC2 ZINC000423386521 387271169 /nfs/dbraw/zinc/27/11/69/387271169.db2.gz HGQBVNMJPYGHEF-GRYCIOLGSA-N 2 0 208.349 1.907 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1NCCCC1(C)C ZINC000423391412 387275574 /nfs/dbraw/zinc/27/55/74/387275574.db2.gz PKAKSMGPHJUNMP-OLZOCXBDSA-N 2 0 241.423 1.872 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+][C@H](CC)[C@H]1CCOC1 ZINC000423393599 387278367 /nfs/dbraw/zinc/27/83/67/387278367.db2.gz YYVCWDJUGYICBW-GRYCIOLGSA-N 2 0 214.353 1.389 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+][C@H]1CCCC12CCOCC2 ZINC000423395505 387280459 /nfs/dbraw/zinc/28/04/59/387280459.db2.gz SUEFPGNEIJFUCY-OLZOCXBDSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000423431989 387283105 /nfs/dbraw/zinc/28/31/05/387283105.db2.gz MECGEOXRCYJBGP-AGIUHOORSA-N 3 0 227.396 1.754 20 0 BDADRP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@@H]1CCCC12CCCC2 ZINC000423435845 387286494 /nfs/dbraw/zinc/28/64/94/387286494.db2.gz SQWLPDRTUCNSTP-JHJVBQTASA-N 2 0 238.375 1.269 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@H]1NCCc2ccccc21 ZINC000423437307 387288037 /nfs/dbraw/zinc/28/80/37/387288037.db2.gz UHQBDLVSOXNYMW-IUODEOHRSA-N 2 0 247.386 1.590 20 0 BDADRP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])C1(C)C ZINC000423437668 387288276 /nfs/dbraw/zinc/28/82/76/387288276.db2.gz GLDSZZQKZLKIFZ-FIQHERPVSA-N 2 0 228.380 1.904 20 0 BDADRP C1C[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C2(C1)CCOCC2 ZINC000423438281 387288728 /nfs/dbraw/zinc/28/87/28/387288728.db2.gz RBJLFVUNFOSGQH-XQHKEYJVSA-N 2 0 236.359 1.143 20 0 BDADRP CC[C@H]([NH2+][C@H](C)CCCC[NH3+])c1cnn(C)c1 ZINC000423445122 387294220 /nfs/dbraw/zinc/29/42/20/387294220.db2.gz XMIVCQDPLWZDFK-YPMHNXCESA-N 2 0 238.379 1.978 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1C[NH2+]C[C@H]1O)C1CCCC1 ZINC000423445580 387294539 /nfs/dbraw/zinc/29/45/39/387294539.db2.gz YKMCEAJHAUBZNE-FRRDWIJNSA-N 2 0 226.364 1.125 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)C1CCSCC1)[C@H](C)[NH3+] ZINC000423445642 387295499 /nfs/dbraw/zinc/29/54/99/387295499.db2.gz MXVGTNCFNIGFEX-AEJSXWLSSA-N 2 0 216.394 1.843 20 0 BDADRP C[C@H](C[C@H]1CCOC1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000643461978 387295990 /nfs/dbraw/zinc/29/59/90/387295990.db2.gz IICODKLRDQKENP-XQHKEYJVSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000423449811 387298884 /nfs/dbraw/zinc/29/88/84/387298884.db2.gz SEKJDAHDRBSGCU-KKJSVHSVSA-N 2 0 226.364 1.515 20 0 BDADRP Cc1cc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)on1 ZINC000353947742 387302438 /nfs/dbraw/zinc/30/24/38/387302438.db2.gz OUHOQMQFHUHATO-QWHCGFSZSA-N 2 0 249.358 1.742 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H](C)CC(=O)Nc1ccccc1 ZINC000423458131 387306583 /nfs/dbraw/zinc/30/65/83/387306583.db2.gz GJQLGRMPHVNMNJ-RYUDHWBXSA-N 2 0 249.358 1.731 20 0 BDADRP CC[C@H]([NH3+])CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000423458355 387306669 /nfs/dbraw/zinc/30/66/69/387306669.db2.gz GSNUNOHRVSAPDS-UMSGYPCISA-N 2 0 225.380 1.186 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCCOC1 ZINC000423459929 387308197 /nfs/dbraw/zinc/30/81/97/387308197.db2.gz AKEVFVBAEXQFRV-REWJHTLYSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H](CC[NH3+])NC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000423527236 387356264 /nfs/dbraw/zinc/35/62/64/387356264.db2.gz MCUNTUVGWFCISZ-CMPLNLGQSA-N 2 0 241.379 1.138 20 0 BDADRP C[C@@H]1C[C@@H](NCCC[NH2+]C2CC2)C[N@@H+]1C1CC1 ZINC000423530345 387359299 /nfs/dbraw/zinc/35/92/99/387359299.db2.gz RCRZALNDGWIEDD-DGCLKSJQSA-N 2 0 237.391 1.343 20 0 BDADRP CC[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1cnn(C)c1 ZINC000423536056 387361254 /nfs/dbraw/zinc/36/12/54/387361254.db2.gz GILGHERFIJALHZ-AWEZNQCLSA-N 2 0 248.374 1.771 20 0 BDADRP C[C@H](NC[C@@H]1CCCC[NH2+]1)[C@H]1CCCC[NH2+]1 ZINC000643502221 387362685 /nfs/dbraw/zinc/36/26/85/387362685.db2.gz ADMBMBLVUIMNFJ-RWMBFGLXSA-N 2 0 225.380 1.249 20 0 BDADRP [NH3+][C@@H]1C[C@@H](NC[C@@H]2CCCC[NH2+]2)c2ccccc21 ZINC000643502266 387364044 /nfs/dbraw/zinc/36/40/44/387364044.db2.gz BFFPKPRQTHQIIV-NILFDRSVSA-N 2 0 245.370 1.863 20 0 BDADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)[C@@H]1C[C@H]1C ZINC000423541512 387366167 /nfs/dbraw/zinc/36/61/67/387366167.db2.gz SBFBCUIHTXNQSM-NQBHXWOUSA-N 2 0 208.349 1.930 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423539737 387366269 /nfs/dbraw/zinc/36/62/69/387366269.db2.gz PFGYDDUYAVCYFA-GXTWGEPZSA-N 3 0 237.391 1.274 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1NC[C@@H]1CCCC[NH2+]1 ZINC000643502388 387366517 /nfs/dbraw/zinc/36/65/17/387366517.db2.gz FDTIHUGDCFGQRK-YNEHKIRRSA-N 2 0 225.380 1.378 20 0 BDADRP CC[C@H](C)C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000423539800 387366730 /nfs/dbraw/zinc/36/67/30/387366730.db2.gz CAZGEHULCRETRO-WHOHXGKFSA-N 2 0 214.353 1.374 20 0 BDADRP CC[C@H]([NH2+]CCC1=CC[NH2+]CC1)[C@H]1CCOC1 ZINC000423542824 387367261 /nfs/dbraw/zinc/36/72/61/387367261.db2.gz UIPIBBWHCYAMNE-KBPBESRZSA-N 2 0 238.375 1.701 20 0 BDADRP CC[N@H+](CCN[C@H]1CC[NH+](C)C[C@H]1C)C(C)C ZINC000360916683 387367328 /nfs/dbraw/zinc/36/73/28/387367328.db2.gz AOGZLUFJDPEYAS-KGLIPLIRSA-N 2 0 241.423 1.647 20 0 BDADRP COCCC[C@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423543496 387368438 /nfs/dbraw/zinc/36/84/38/387368438.db2.gz BZBLBJZOQJBDMK-NWDGAFQWSA-N 2 0 214.353 1.533 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@@H]1Cc2ccccc21 ZINC000643453507 387370312 /nfs/dbraw/zinc/37/03/12/387370312.db2.gz IWYBRKNWPRUGLL-IACUBPJLSA-N 2 0 216.328 1.796 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1Cc2ccccc21)C1C[NH2+]C1 ZINC000643453704 387371252 /nfs/dbraw/zinc/37/12/52/387371252.db2.gz UEHLVSOJXBCBKL-ZYHUDNBSSA-N 2 0 216.328 1.524 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423551083 387372257 /nfs/dbraw/zinc/37/22/57/387372257.db2.gz OLXCRVSIISWPMR-XJFOESAGSA-N 3 0 239.407 1.482 20 0 BDADRP C[C@@H](NCCC[NH2+]C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000423551644 387372411 /nfs/dbraw/zinc/37/24/11/387372411.db2.gz JFMLJTOMVLRDCQ-YPMHNXCESA-N 2 0 225.380 1.249 20 0 BDADRP Cc1cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cc(C)n1 ZINC000423559685 387374679 /nfs/dbraw/zinc/37/46/79/387374679.db2.gz UCJHGDASLXFSNH-VHSXEESVSA-N 2 0 221.348 1.914 20 0 BDADRP Cc1cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc(C)n1 ZINC000423559684 387376381 /nfs/dbraw/zinc/37/63/81/387376381.db2.gz UCJHGDASLXFSNH-UWVGGRQHSA-N 2 0 221.348 1.914 20 0 BDADRP C[C@@H](N[C@H]1CC[N@H+](CC2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000643462908 387321465 /nfs/dbraw/zinc/32/14/65/387321465.db2.gz YFGKGOTXMRPPDA-KWCYVHTRSA-N 2 0 237.391 1.201 20 0 BDADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cnccc1N ZINC000423482637 387328533 /nfs/dbraw/zinc/32/85/33/387328533.db2.gz PLRREBRRNCRBGJ-NWDGAFQWSA-N 2 0 248.374 1.677 20 0 BDADRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cnccc1N ZINC000423482632 387329675 /nfs/dbraw/zinc/32/96/75/387329675.db2.gz PLRREBRRNCRBGJ-NEPJUHHUSA-N 2 0 248.374 1.677 20 0 BDADRP CCn1cc([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])C2)cn1 ZINC000423486128 387331642 /nfs/dbraw/zinc/33/16/42/387331642.db2.gz BNPKNDIFTWQSOT-GVXVVHGQSA-N 2 0 236.363 1.681 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000423486834 387334705 /nfs/dbraw/zinc/33/47/05/387334705.db2.gz ZYVKXENPHOAPCZ-WHOHXGKFSA-N 2 0 224.348 1.271 20 0 BDADRP C([NH2+][C@@H]1CC[C@@H]1C1CCC1)[C@H]1C[NH2+]CCCO1 ZINC000423492242 387335385 /nfs/dbraw/zinc/33/53/85/387335385.db2.gz MHHOKGKKKMUIKT-MGPQQGTHSA-N 2 0 238.375 1.533 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)[C@H]1CC1(C)C ZINC000423492293 387335851 /nfs/dbraw/zinc/33/58/51/387335851.db2.gz MLQUQTGTXNOMOC-QJPTWQEYSA-N 2 0 226.364 1.389 20 0 BDADRP COC[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)C1CC1 ZINC000423492676 387336642 /nfs/dbraw/zinc/33/66/42/387336642.db2.gz ODJOZGCEFGQDLF-DLOVCJGASA-N 2 0 212.337 1.128 20 0 BDADRP C([NH2+][C@@H]1CC[C@H]1C1CCC1)[C@H]1C[NH2+]CCCO1 ZINC000423492240 387336963 /nfs/dbraw/zinc/33/69/63/387336963.db2.gz MHHOKGKKKMUIKT-HZSPNIEDSA-N 2 0 238.375 1.533 20 0 BDADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000423498053 387341079 /nfs/dbraw/zinc/34/10/79/387341079.db2.gz ZUFCTYHSAWTOEN-CZXHOFHRSA-N 2 0 237.391 1.186 20 0 BDADRP C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423505131 387342719 /nfs/dbraw/zinc/34/27/19/387342719.db2.gz GNVBQIZDHOALBI-JHJVBQTASA-N 2 0 240.391 1.779 20 0 BDADRP CC[N@H+]1C[C@H](N[C@H](C[NH3+])C2CCCC2)[C@@H](C)C1 ZINC000423506822 387345546 /nfs/dbraw/zinc/34/55/46/387345546.db2.gz PMSZOCGDTYHYOM-YUTCNCBUSA-N 2 0 239.407 1.434 20 0 BDADRP COC[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)C1CCCC1 ZINC000423506925 387345650 /nfs/dbraw/zinc/34/56/50/387345650.db2.gz MRAVGSOZRDISIG-YUTCNCBUSA-N 2 0 240.391 1.909 20 0 BDADRP COC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000515864477 387431313 /nfs/dbraw/zinc/43/13/13/387431313.db2.gz DSIVPFYAHXVCQS-SDDRHHMPSA-N 2 0 212.337 1.190 20 0 BDADRP C([NH2+][C@@H]1CCC12CCOCC2)[C@H]1CCC[NH2+]1 ZINC000643505789 387455274 /nfs/dbraw/zinc/45/52/74/387455274.db2.gz PAWXKVOONQLSFH-VXGBXAGGSA-N 2 0 224.348 1.287 20 0 BDADRP CC[C@H](C(=O)N1CC[C@@H]([NH3+])[C@@H]1C)[NH+](CC)CC ZINC000423655030 387390997 /nfs/dbraw/zinc/39/09/97/387390997.db2.gz UPXBHZLMYCQKFE-QJPTWQEYSA-N 2 0 241.379 1.055 20 0 BDADRP CC[C@H](C(=O)N1CC[C@H]([NH3+])[C@H]1C)[NH+](CC)CC ZINC000423655025 387391121 /nfs/dbraw/zinc/39/11/21/387391121.db2.gz UPXBHZLMYCQKFE-GRYCIOLGSA-N 2 0 241.379 1.055 20 0 BDADRP C[C@@H]([NH2+]CC1(O)CCCC1)C(C)(C)C[NH+](C)C ZINC000515638067 387404391 /nfs/dbraw/zinc/40/43/91/387404391.db2.gz PMMOZGOAVWFXMS-GFCCVEGCSA-N 2 0 242.407 1.857 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H](CO)CC(F)(F)F)C1 ZINC000515671411 387410600 /nfs/dbraw/zinc/41/06/00/387410600.db2.gz IYKGKRPZRXWRMY-HLTSFMKQSA-N 2 0 240.269 1.159 20 0 BDADRP C[NH+](C)CCC1CC[NH+](CC(C)(C)O)CC1 ZINC000303992582 387422187 /nfs/dbraw/zinc/42/21/87/387422187.db2.gz NEGKJNNRZDKMOF-UHFFFAOYSA-N 2 0 228.380 1.421 20 0 BDADRP CC1(C)C[C@H]([NH2+][C@@H]2CCN3CCCC[C@@H]23)CO1 ZINC000396849180 387502834 /nfs/dbraw/zinc/50/28/34/387502834.db2.gz MJKVYHYIJGKUHW-XQQFMLRXSA-N 2 0 238.375 1.770 20 0 BDADRP [NH3+]CC1(O)CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000397062108 387536722 /nfs/dbraw/zinc/53/67/22/387536722.db2.gz QVKOYQCOZNKDGD-DAXSKMNVSA-N 2 0 246.354 1.485 20 0 BDADRP [NH3+]CC1(O)CC[NH+](CCC2CCCCC2)CC1 ZINC000397106207 387540847 /nfs/dbraw/zinc/54/08/47/387540847.db2.gz ORPMVBOGVZEVMM-UHFFFAOYSA-N 2 0 240.391 1.742 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]CCN2CC[C@H](C)C2)CCO1 ZINC000648499103 387475544 /nfs/dbraw/zinc/47/55/44/387475544.db2.gz AJCOWHIKMSCKKJ-BFHYXJOUSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC[C@@H](CO)CC1)[C@H]1CCCC[NH2+]1 ZINC000643471024 387477873 /nfs/dbraw/zinc/47/78/73/387477873.db2.gz LXYUMJQNINQUKO-YIYPIFLZSA-N 2 0 240.391 1.658 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CCC(CO)CC1 ZINC000643471224 387480259 /nfs/dbraw/zinc/48/02/59/387480259.db2.gz FNGYGIOXNILQJO-RYSNWHEDSA-N 2 0 240.391 1.515 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)C1 ZINC000643510519 387582561 /nfs/dbraw/zinc/58/25/61/387582561.db2.gz CBZBJWCUFCTPIZ-MELADBBJSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000528757997 387588483 /nfs/dbraw/zinc/58/84/83/387588483.db2.gz DNAZBQWXDKXHNG-XHJNMGKDSA-N 2 0 240.391 1.872 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]([NH3+])C(C)C)C1 ZINC000643511803 387594545 /nfs/dbraw/zinc/59/45/45/387594545.db2.gz PCGCAWMGWFRQBO-TUAOUCFPSA-N 2 0 214.353 1.517 20 0 BDADRP Cc1cnn(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000123846869 387595578 /nfs/dbraw/zinc/59/55/78/387595578.db2.gz HEGRMUVDNYNBSV-QWHCGFSZSA-N 2 0 236.363 1.121 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H]([NH3+])C2CCC2)cc1 ZINC000422541997 387597439 /nfs/dbraw/zinc/59/74/39/387597439.db2.gz PFTARSCFOBSEEZ-RNCFNFMXSA-N 2 0 247.342 1.772 20 0 BDADRP CC(C)(CC[NH3+])NC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000422543083 387597477 /nfs/dbraw/zinc/59/74/77/387597477.db2.gz RPFNEIVCLBNPPU-GHMZBOCLSA-N 2 0 241.379 1.138 20 0 BDADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC(C)(C)CC[NH3+] ZINC000422540224 387597496 /nfs/dbraw/zinc/59/74/96/387597496.db2.gz LTJWOBJNXBYJMJ-JTQLQIEISA-N 2 0 243.395 1.254 20 0 BDADRP CC(C)[C@H](O)CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000305364951 387601374 /nfs/dbraw/zinc/60/13/74/387601374.db2.gz VIAFMHJURWQIBJ-MELADBBJSA-N 2 0 240.391 1.610 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCc1c(F)cccc1F ZINC000422698041 387612433 /nfs/dbraw/zinc/61/24/33/387612433.db2.gz XIBMJZSUPXERST-QWHCGFSZSA-N 2 0 240.297 1.977 20 0 BDADRP CC(C)(C)C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422698643 387614650 /nfs/dbraw/zinc/61/46/50/387614650.db2.gz AIOHEIAXOYBEKY-JHJVBQTASA-N 2 0 240.391 1.779 20 0 BDADRP CC[C@@H]([NH2+]C[C@@H](C)COC)[C@@H]1CCC[NH2+]1 ZINC000422701484 387615978 /nfs/dbraw/zinc/61/59/78/387615978.db2.gz IQWIPWKWOFRSMM-UTUOFQBUSA-N 2 0 214.353 1.389 20 0 BDADRP CNC(=O)c1cccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c1 ZINC000422702193 387618347 /nfs/dbraw/zinc/61/83/47/387618347.db2.gz KEKWMNFXZKYOTO-QWRGUYRKSA-N 2 0 249.358 1.262 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH+]1C)C[C@H]1CCC[C@@H]1O ZINC000305636551 387618690 /nfs/dbraw/zinc/61/86/90/387618690.db2.gz ORZLZNOGZKVUTC-RDBSUJKOSA-N 2 0 240.391 1.564 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C1CCCCC1 ZINC000422706674 387620960 /nfs/dbraw/zinc/62/09/60/387620960.db2.gz UUYHJSKSCFFOMD-MJBXVCDLSA-N 2 0 240.391 1.645 20 0 BDADRP C[C@H]([NH2+]CCO[C@@H]1CCCC[C@H]1C)C1C[NH2+]C1 ZINC000422706158 387621109 /nfs/dbraw/zinc/62/11/09/387621109.db2.gz DRWIXTBMJHJEPP-MBNYWOFBSA-N 2 0 240.391 1.779 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@H]1CCCCO1 ZINC000422704426 387621600 /nfs/dbraw/zinc/62/16/00/387621600.db2.gz PQJMJQYOUIWWDM-UPJWGTAASA-N 2 0 226.364 1.805 20 0 BDADRP CCCC[N@H+](C)CCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000422708541 387622224 /nfs/dbraw/zinc/62/22/24/387622224.db2.gz JBRPMMDMTHMPFX-KBPBESRZSA-N 2 0 241.423 1.968 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+]Cc1c[nH]c2nccnc12 ZINC000356166941 387622373 /nfs/dbraw/zinc/62/23/73/387622373.db2.gz OAPBSQJGSIUTSF-JTQLQIEISA-N 2 0 247.346 1.339 20 0 BDADRP C[C@@H](O)CC[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000305651452 387623036 /nfs/dbraw/zinc/62/30/36/387623036.db2.gz CDFYVSCOOLYWIO-VXGBXAGGSA-N 2 0 214.353 1.173 20 0 BDADRP CC(C)[N@@H+](CC[C@H]1CCC[NH+]1C)C[C@H](C)O ZINC000305679721 387625099 /nfs/dbraw/zinc/62/50/99/387625099.db2.gz NCZZCWDSTCEEKL-QWHCGFSZSA-N 2 0 228.380 1.562 20 0 BDADRP CCCC[N@H+](C)CCN[C@H](C)C[C@H](C)[NH3+] ZINC000422712484 387625218 /nfs/dbraw/zinc/62/52/18/387625218.db2.gz OHIRKFQXEDKTNB-NWDGAFQWSA-N 2 0 215.385 1.434 20 0 BDADRP COC[C@@H](C)C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000527249193 387549346 /nfs/dbraw/zinc/54/93/46/387549346.db2.gz DCITVJZJOAGTDO-HSBZDZAISA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@@H]([NH3+])C(=O)N[C@@H](C)CCC[NH+](CC)CC ZINC000036871243 387557703 /nfs/dbraw/zinc/55/77/03/387557703.db2.gz RLWUQXMGIZWQBP-NWDGAFQWSA-N 2 0 243.395 1.350 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH+]1C)CC(C)(C)O ZINC000305146255 387563264 /nfs/dbraw/zinc/56/32/64/387563264.db2.gz YGPKOPFHJJHPTM-NSHDSACASA-N 2 0 214.353 1.173 20 0 BDADRP CCc1noc(C)c1CN[C@](C)(C[NH3+])C1CC1 ZINC000430594987 387629787 /nfs/dbraw/zinc/62/97/87/387629787.db2.gz SUWQBMAQZXVDKN-CYBMUJFWSA-N 2 0 237.347 1.762 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCCn1ccnc1 ZINC000422726928 387635060 /nfs/dbraw/zinc/63/50/60/387635060.db2.gz AVPZUEXPICXSNG-QWHCGFSZSA-N 2 0 236.363 1.523 20 0 BDADRP C[C@@H]([NH2+]C[C@@]1(C)CCOC1)[C@@H]1CCCC[NH2+]1 ZINC000422728323 387638172 /nfs/dbraw/zinc/63/81/72/387638172.db2.gz JBUORPYCKOUSRI-FRRDWIJNSA-N 2 0 226.364 1.533 20 0 BDADRP CCCC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000422732037 387640450 /nfs/dbraw/zinc/64/04/50/387640450.db2.gz NDEIVSQBIITESC-HBNTYKKESA-N 2 0 200.326 1.128 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCC1CCOCC1 ZINC000422731743 387641366 /nfs/dbraw/zinc/64/13/66/387641366.db2.gz OCMDHKCTLRPCEF-OCCSQVGLSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@H]([NH3+])CC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000430701886 387643139 /nfs/dbraw/zinc/64/31/39/387643139.db2.gz PSUVSQWRNBJCOF-NSHDSACASA-N 2 0 249.358 1.102 20 0 BDADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000422734280 387643687 /nfs/dbraw/zinc/64/36/87/387643687.db2.gz CGCMSJMMYMUREW-STQMWFEESA-N 3 0 241.423 1.824 20 0 BDADRP CCC[C@@H]([NH3+])C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000430729110 387644213 /nfs/dbraw/zinc/64/42/13/387644213.db2.gz FGASFDFLWFKKRH-MNOVXSKESA-N 2 0 241.379 1.008 20 0 BDADRP CCCCOCCC[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422738629 387644836 /nfs/dbraw/zinc/64/48/36/387644836.db2.gz ZBEDJRZWKVIYFX-NEPJUHHUSA-N 2 0 214.353 1.663 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1ccccn1 ZINC000422736949 387645264 /nfs/dbraw/zinc/64/52/64/387645264.db2.gz YWRRYOJZUPTEPW-TZMCWYRMSA-N 2 0 233.359 1.602 20 0 BDADRP CCC[NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000422737667 387645285 /nfs/dbraw/zinc/64/52/85/387645285.db2.gz XQKPVKDRAPEETP-LLVKDONJSA-N 2 0 242.363 1.307 20 0 BDADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCC[NH+](C)C ZINC000422747158 387650079 /nfs/dbraw/zinc/65/00/79/387650079.db2.gz PGZLOTPQWOZKIP-DZGCQCFKSA-N 2 0 249.402 1.486 20 0 BDADRP CC[C@H](NC[C@H](C)[N@H+](C)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000422746221 387650766 /nfs/dbraw/zinc/65/07/66/387650766.db2.gz WEWVQQOOCRDDPK-UBHSHLNASA-N 2 0 239.407 1.589 20 0 BDADRP CC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000430795690 387652757 /nfs/dbraw/zinc/65/27/57/387652757.db2.gz HKONPHPLPALHIG-WOPDTQHZSA-N 2 0 241.379 1.055 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1CCCCC1 ZINC000422749591 387653077 /nfs/dbraw/zinc/65/30/77/387653077.db2.gz ZVCCDVBQHJNMHU-FPMFFAJLSA-N 2 0 240.391 1.909 20 0 BDADRP C[NH+](C)CCCC1CC[NH+](CC(C)(C)O)CC1 ZINC000123139259 387657573 /nfs/dbraw/zinc/65/75/73/387657573.db2.gz YHKULXSICMHCGS-UHFFFAOYSA-N 2 0 242.407 1.811 20 0 BDADRP CC(C)[NH+](CCN[C@@H](C)C[C@@H](C)[NH3+])C(C)C ZINC000422752442 387657543 /nfs/dbraw/zinc/65/75/43/387657543.db2.gz HAEJNFPSSCCXKU-OLZOCXBDSA-N 2 0 229.412 1.821 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H](O)CC(C)(C)C ZINC000422757661 387660381 /nfs/dbraw/zinc/66/03/81/387660381.db2.gz ISIUTWDVDAVSSD-HBNTYKKESA-N 2 0 216.369 1.499 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCn1ccnc1 ZINC000422757798 387661748 /nfs/dbraw/zinc/66/17/48/387661748.db2.gz MYPRTUPMORXVRX-NWDGAFQWSA-N 2 0 222.336 1.133 20 0 BDADRP CN(CC[N@@H+]1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000430939415 387662589 /nfs/dbraw/zinc/66/25/89/387662589.db2.gz GCFHBSXGQNPTNR-ZDUSSCGKSA-N 2 0 233.359 1.403 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)NCC1([NH+](C)C)CCCCC1 ZINC000422765506 387665663 /nfs/dbraw/zinc/66/56/63/387665663.db2.gz WHORBECYMJMWLV-CHWSQXEVSA-N 2 0 241.423 1.966 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1NCC[NH+]1CCCC1 ZINC000422767778 387668314 /nfs/dbraw/zinc/66/83/14/387668314.db2.gz ROCLQIZQQOQHLI-CHWSQXEVSA-N 2 0 225.380 1.060 20 0 BDADRP C[N@H+](CCN[C@@H]1CCC[C@H]1[NH3+])Cc1ccccc1 ZINC000422767328 387668525 /nfs/dbraw/zinc/66/85/25/387668525.db2.gz RXOSYKAKWXWRMD-HUUCEWRRSA-N 2 0 247.386 1.588 20 0 BDADRP C[C@@H](NCC[NH+]1CCCC1)c1c[nH+]ccc1N ZINC000422770616 387669431 /nfs/dbraw/zinc/66/94/31/387669431.db2.gz UXSMJPIPWVTKJK-LLVKDONJSA-N 2 0 234.347 1.241 20 0 BDADRP CC(C)OCCC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431039199 387672853 /nfs/dbraw/zinc/67/28/53/387672853.db2.gz VNBFGTQTYWAAPB-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@H]([NH3+])CC(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000431050441 387673105 /nfs/dbraw/zinc/67/31/05/387673105.db2.gz UKQGUOKJHLANKL-LBPRGKRZSA-N 2 0 249.358 1.319 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1COc2ccccc2C1 ZINC000422775977 387673197 /nfs/dbraw/zinc/67/31/97/387673197.db2.gz CTSSMKVHYDBWSA-DMDPSCGWSA-N 2 0 234.343 1.706 20 0 BDADRP C[C@@H](NC[C@H](C)[NH+]1CCC(C)CC1)C1C[NH2+]C1 ZINC000422778337 387674209 /nfs/dbraw/zinc/67/42/09/387674209.db2.gz HHOKMELXBBZBNV-QWHCGFSZSA-N 2 0 239.407 1.304 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000422778065 387675741 /nfs/dbraw/zinc/67/57/41/387675741.db2.gz HBJUXSHLKPYTOV-STQMWFEESA-N 3 0 227.396 1.306 20 0 BDADRP CCCC[NH+]1CCC(N[C@@H](C)C2C[NH2+]C2)CC1 ZINC000422780189 387678175 /nfs/dbraw/zinc/67/81/75/387678175.db2.gz JCHNBWTWBVPDFZ-LBPRGKRZSA-N 2 0 239.407 1.448 20 0 BDADRP CCCCOCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422780566 387679219 /nfs/dbraw/zinc/67/92/19/387679219.db2.gz KJIMKBADOBYCGH-FUNVUKJBSA-N 2 0 226.364 1.676 20 0 BDADRP [NH3+]CC1CCC([NH2+]CCC[NH+]2CCCC2)CC1 ZINC000422784105 387682966 /nfs/dbraw/zinc/68/29/66/387682966.db2.gz LVQJFYNVBVLUPD-UHFFFAOYSA-N 3 0 239.407 1.579 20 0 BDADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCC[C@H]2[NH3+])CC1 ZINC000422794607 387696516 /nfs/dbraw/zinc/69/65/16/387696516.db2.gz ZELZGUFADJCKOS-KGLIPLIRSA-N 3 0 239.407 1.578 20 0 BDADRP CCC[NH+]1CCC(C[NH2+][C@H](C)C2C[NH2+]C2)CC1 ZINC000422742770 387690372 /nfs/dbraw/zinc/69/03/72/387690372.db2.gz QJYYZJMESAPMAW-GFCCVEGCSA-N 3 0 239.407 1.306 20 0 BDADRP CC(C)COCCC[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422788305 387691190 /nfs/dbraw/zinc/69/11/90/387691190.db2.gz RDKVKCWBNAQOBZ-LLVKDONJSA-N 2 0 214.353 1.247 20 0 BDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCCF)CC1 ZINC000451990721 387691360 /nfs/dbraw/zinc/69/13/60/387691360.db2.gz RXTLLNRCQOYPSQ-UHFFFAOYSA-N 2 0 245.386 1.352 20 0 BDADRP C[C@@H]1CCC[N@H+](CCN[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000422861983 387743819 /nfs/dbraw/zinc/74/38/19/387743819.db2.gz PGOBPEAJEDUIBY-HZSPNIEDSA-N 2 0 239.407 1.435 20 0 BDADRP CN(C)c1ncccc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000422860877 387743972 /nfs/dbraw/zinc/74/39/72/387743972.db2.gz LZKBTAQKFZWBOE-WCQYABFASA-N 2 0 248.374 1.365 20 0 BDADRP C[C@H](N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000422861059 387744531 /nfs/dbraw/zinc/74/45/31/387744531.db2.gz IWPSFOKHDXQSHP-GFQSEFKGSA-N 2 0 237.391 1.342 20 0 BDADRP CN(C)c1ncccc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000422860875 387745001 /nfs/dbraw/zinc/74/50/01/387745001.db2.gz LZKBTAQKFZWBOE-AAEUAGOBSA-N 2 0 248.374 1.365 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000422865698 387747452 /nfs/dbraw/zinc/74/74/52/387747452.db2.gz PIMPWJOENGWABA-YFKTTZPYSA-N 2 0 225.380 1.327 20 0 BDADRP C[C@@H](NCC[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422871382 387748785 /nfs/dbraw/zinc/74/87/85/387748785.db2.gz ZYKKWJFGZYPKMM-MCIONIFRSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@H](C)N1CCCC[C@H]1C ZINC000422869140 387748905 /nfs/dbraw/zinc/74/89/05/387748905.db2.gz WSSWSBMJSHDIRY-MCIONIFRSA-N 3 0 241.423 1.966 20 0 BDADRP CC[C@@H]([NH2+][C@@H](C)CCCO)[C@@H]1CCC[NH2+]1 ZINC000422874907 387752054 /nfs/dbraw/zinc/75/20/54/387752054.db2.gz OFLJTULDWGEPIP-TUAOUCFPSA-N 2 0 214.353 1.268 20 0 BDADRP CC[C@@H](Cc1ccccc1)[NH2+]C[C@H](C)[NH3+] ZINC000643525671 387752044 /nfs/dbraw/zinc/75/20/44/387752044.db2.gz AAHUQFDSSJVUCH-AAEUAGOBSA-N 2 0 206.333 1.945 20 0 BDADRP CC[C@@H](C)C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000441370467 387754493 /nfs/dbraw/zinc/75/44/93/387754493.db2.gz HRSATYNLVLDLQE-CYBMUJFWSA-N 2 0 241.423 1.648 20 0 BDADRP CC(C)C[C@H](CCO)C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422801274 387703232 /nfs/dbraw/zinc/70/32/32/387703232.db2.gz BQXGENIKQNMMDL-XQQFMLRXSA-N 2 0 228.380 1.501 20 0 BDADRP CC[N@H+](CCN[C@@H]1CCC[C@H]1[NH3+])C(C)C ZINC000422880133 387755062 /nfs/dbraw/zinc/75/50/62/387755062.db2.gz NIBGESIXTAVSLI-VXGBXAGGSA-N 2 0 213.369 1.186 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)C(C)C ZINC000422806361 387704907 /nfs/dbraw/zinc/70/49/07/387704907.db2.gz KMRXSBOXCGKSBI-FRRDWIJNSA-N 2 0 228.380 1.635 20 0 BDADRP CO[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])C(C)(C)C ZINC000422806897 387705260 /nfs/dbraw/zinc/70/52/60/387705260.db2.gz IWWDIMFAIYLITC-GARJFASQSA-N 2 0 216.369 1.763 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCc1ccsc1 ZINC000422810410 387707345 /nfs/dbraw/zinc/70/73/45/387707345.db2.gz RUELZJNXRJWXNG-MNOVXSKESA-N 2 0 210.346 1.760 20 0 BDADRP CSCC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000377262365 387708077 /nfs/dbraw/zinc/70/80/77/387708077.db2.gz PGXDHQQZFPTALP-LLVKDONJSA-N 2 0 216.394 1.766 20 0 BDADRP C[C@H](Cc1cccs1)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422808271 387708250 /nfs/dbraw/zinc/70/82/50/387708250.db2.gz OCZZRJWYVPAPLL-ZJUUUORDSA-N 2 0 224.373 1.877 20 0 BDADRP CCC1(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])CCOCC1 ZINC000422814017 387711199 /nfs/dbraw/zinc/71/11/99/387711199.db2.gz SWZHMVSNBICBQA-NEPJUHHUSA-N 2 0 228.380 1.909 20 0 BDADRP CCC1(C[NH2+][C@H](C)C[C@H](C)[NH3+])CCOCC1 ZINC000422814018 387711292 /nfs/dbraw/zinc/71/12/92/387711292.db2.gz SWZHMVSNBICBQA-NWDGAFQWSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC1(CCO)CCCC1 ZINC000422812825 387711418 /nfs/dbraw/zinc/71/14/18/387711418.db2.gz RBGZPTZLSXAPEW-NWDGAFQWSA-N 2 0 228.380 1.645 20 0 BDADRP CCC(CC)(CCO)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422816386 387713712 /nfs/dbraw/zinc/71/37/12/387713712.db2.gz ZVHXIZLRKCJXPE-OLZOCXBDSA-N 2 0 242.407 1.905 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CC1(CCO)CCCC1 ZINC000422815968 387715111 /nfs/dbraw/zinc/71/51/11/387715111.db2.gz YVULIJCLCMQMOG-OLZOCXBDSA-N 2 0 240.391 1.646 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CCc1cn2ccccc2n1 ZINC000422815838 387715416 /nfs/dbraw/zinc/71/54/16/387715416.db2.gz CQLRMVZEURBBLC-LBPRGKRZSA-N 2 0 246.358 1.594 20 0 BDADRP C([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C12CC(C1)CO2 ZINC000527790432 387717751 /nfs/dbraw/zinc/71/77/51/387717751.db2.gz OGEZLYQZONGGLN-YIFLHPOLSA-N 2 0 236.359 1.382 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(N(C)C)nc1 ZINC000422825386 387720120 /nfs/dbraw/zinc/72/01/20/387720120.db2.gz ACYVJIXSSUEXIC-GHMZBOCLSA-N 2 0 236.363 1.363 20 0 BDADRP C[C@H]([NH2+]C[C@@]1(C)CCCC[C@@H]1O)[C@@H]1CCC[NH2+]1 ZINC000422826357 387720567 /nfs/dbraw/zinc/72/05/67/387720567.db2.gz QVOCRZRFVRNYCS-XDQVBPFNSA-N 2 0 240.391 1.658 20 0 BDADRP C[C@@H](C[NH+]1CCCCC1)N[C@@H](C)C1C[NH2+]C1 ZINC000422829709 387721594 /nfs/dbraw/zinc/72/15/94/387721594.db2.gz HSHTVWODOPKVJY-RYUDHWBXSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@H]([NH3+])c1ccc(C(=O)NC[C@H]2CCC[NH2+]2)cc1 ZINC000422789788 387731105 /nfs/dbraw/zinc/73/11/05/387731105.db2.gz SMNRABHWHNRBSP-GXFFZTMASA-N 2 0 247.342 1.188 20 0 BDADRP COC1CCC(C[NH2+][C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000422841720 387731958 /nfs/dbraw/zinc/73/19/58/387731958.db2.gz WRSWCUZNNIEZQX-OKZRHMCRSA-N 2 0 228.380 1.907 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000643523845 387732237 /nfs/dbraw/zinc/73/22/37/387732237.db2.gz BHRCSWZZHQFMBG-DOMZBBRYSA-N 3 0 245.370 1.507 20 0 BDADRP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)[C@@H]1CCCOC1 ZINC000356855888 387733633 /nfs/dbraw/zinc/73/36/33/387733633.db2.gz VOUCNPZEZCUVSE-CHWSQXEVSA-N 2 0 242.407 1.979 20 0 BDADRP CC[N@H+](C)CCN[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000128029164 387735315 /nfs/dbraw/zinc/73/53/15/387735315.db2.gz VYFCIXVTBBAKCF-QWHCGFSZSA-N 2 0 225.380 1.155 20 0 BDADRP CC[C@H]([NH2+][C@@H]1C[C@H](OC)C1(C)C)[C@@H]1CCC[NH2+]1 ZINC000422852324 387737692 /nfs/dbraw/zinc/73/76/92/387737692.db2.gz QIUKZNMYXZHAGI-RVMXOQNASA-N 2 0 240.391 1.920 20 0 BDADRP CC(=O)Nc1cccc(C[NH2+][C@@H](C)CCC[NH3+])c1 ZINC000422856393 387740032 /nfs/dbraw/zinc/74/00/32/387740032.db2.gz FVKAVUXNFLGMTL-NSHDSACASA-N 2 0 249.358 1.862 20 0 BDADRP COCC[C@@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422858858 387741005 /nfs/dbraw/zinc/74/10/05/387741005.db2.gz JAMSITYJXIKXCO-VOMCLLRMSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(C2CCCC2)C1 ZINC000422858816 387742322 /nfs/dbraw/zinc/74/23/22/387742322.db2.gz IVPYSICRBCGFGS-CHWSQXEVSA-N 3 0 239.407 1.720 20 0 BDADRP C[C@H]([NH3+])C[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000643527385 387763520 /nfs/dbraw/zinc/76/35/20/387763520.db2.gz LZCIKTYABCDMAI-QNWHQSFQSA-N 2 0 226.364 1.519 20 0 BDADRP COC[C@H]([NH2+]C[C@@H](C)[NH3+])C1CCCC1 ZINC000643527548 387765117 /nfs/dbraw/zinc/76/51/17/387765117.db2.gz OJCCCXTZFYGACB-KOLCDFICSA-N 2 0 200.326 1.128 20 0 BDADRP C[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422898009 387766731 /nfs/dbraw/zinc/76/67/31/387766731.db2.gz DGWCMBYSWKVCGX-MQYQWHSLSA-N 2 0 240.391 1.922 20 0 BDADRP FCCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000378168206 387770435 /nfs/dbraw/zinc/77/04/35/387770435.db2.gz JWEBLTMYTTVWSF-AGIUHOORSA-N 2 0 226.339 1.762 20 0 BDADRP C[C@H]([NH2+]CCCc1cnn(C)c1)[C@@H]1CCC[NH2+]1 ZINC000422911489 387770911 /nfs/dbraw/zinc/77/09/11/387770911.db2.gz TVTJZVAIOXEQAW-AAEUAGOBSA-N 2 0 236.363 1.083 20 0 BDADRP C[C@@H]1CCN(CC[NH2+][C@@H]2CCOC[C@H]2C)C1 ZINC000309507054 387812107 /nfs/dbraw/zinc/81/21/07/387812107.db2.gz WFMZUAARTFMSNS-JHJVBQTASA-N 2 0 226.364 1.343 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422912045 387772016 /nfs/dbraw/zinc/77/20/16/387772016.db2.gz VBKMQCPWVSFZOY-IHRRRGAJSA-N 2 0 241.423 1.837 20 0 BDADRP C[C@H]([NH3+])C[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000643528743 387772067 /nfs/dbraw/zinc/77/20/67/387772067.db2.gz ODBDXVAKAAFHFI-QPUJVOFHSA-N 2 0 224.735 1.744 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCC(F)(F)F ZINC000422917880 387774175 /nfs/dbraw/zinc/77/41/75/387774175.db2.gz FXRHBRALVQRSSG-RKDXNWHRSA-N 2 0 224.270 1.917 20 0 BDADRP CCC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])CC1 ZINC000422920064 387775163 /nfs/dbraw/zinc/77/51/63/387775163.db2.gz LNMPKJZHPNSNIZ-IJLUTSLNSA-N 2 0 226.364 1.519 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@H]1CCSC1 ZINC000422921730 387775759 /nfs/dbraw/zinc/77/57/59/387775759.db2.gz QSPBVPWGVMRABH-HBNTYKKESA-N 2 0 214.378 1.742 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000422923073 387778169 /nfs/dbraw/zinc/77/81/69/387778169.db2.gz VCNQMDIZQKPBJR-MNOVXSKESA-N 2 0 241.379 1.103 20 0 BDADRP CC[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)[C@@H]1CCC[NH2+]1 ZINC000422925699 387780437 /nfs/dbraw/zinc/78/04/37/387780437.db2.gz BLCBKQVFTXZLOZ-OBJOEFQTSA-N 2 0 248.374 1.387 20 0 BDADRP CCOCCC1(C[NH2+][C@@H](C)C2C[NH2+]C2)CCC1 ZINC000422933767 387783155 /nfs/dbraw/zinc/78/31/55/387783155.db2.gz DSLBRTJLKMEHNW-LBPRGKRZSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCOc1ccc(F)cc1 ZINC000422945029 387785724 /nfs/dbraw/zinc/78/57/24/387785724.db2.gz SZECKZUJAIQBSM-MNOVXSKESA-N 2 0 240.322 1.920 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CN[C@@H]1CCC[C@H]1[NH3+] ZINC000422902037 387787224 /nfs/dbraw/zinc/78/72/24/387787224.db2.gz COAZESYODFHXKH-JHJVBQTASA-N 2 0 225.380 1.330 20 0 BDADRP CCOCC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422902358 387787432 /nfs/dbraw/zinc/78/74/32/387787432.db2.gz ULGTUURAWMIYOA-QWRGUYRKSA-N 2 0 200.326 1.273 20 0 BDADRP C[C@H](C[C@@H]1CCCO1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422902767 387787465 /nfs/dbraw/zinc/78/74/65/387787465.db2.gz NMBNHLHZJBMVRC-YIPFDTCYSA-N 2 0 238.375 1.817 20 0 BDADRP CC[N@H+](C)CCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132089581 387787744 /nfs/dbraw/zinc/78/77/44/387787744.db2.gz WWZYGKBGEIAKAZ-UONOGXRCSA-N 2 0 233.359 1.673 20 0 BDADRP C[C@@H]1CCN(CC[NH2+][C@H]2CCOC[C@@H]2C)C1 ZINC000309507051 387812806 /nfs/dbraw/zinc/81/28/06/387812806.db2.gz WFMZUAARTFMSNS-AGIUHOORSA-N 2 0 226.364 1.343 20 0 BDADRP CC[C@H](CCO)[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422980246 387792136 /nfs/dbraw/zinc/79/21/36/387792136.db2.gz OYXAYXFVAPZBMY-IJLUTSLNSA-N 2 0 214.353 1.397 20 0 BDADRP CC(C)CC[C@](C)(O)C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422983453 387793883 /nfs/dbraw/zinc/79/38/83/387793883.db2.gz ZOIOBLINXACGRI-UPJWGTAASA-N 2 0 230.396 1.889 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422981814 387794522 /nfs/dbraw/zinc/79/45/22/387794522.db2.gz UMVFBJJDEWZMHG-AVGNSLFASA-N 2 0 228.380 1.515 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc2c(c1)COC2 ZINC000422986714 387796006 /nfs/dbraw/zinc/79/60/06/387796006.db2.gz DHFVPIVKGNPQPR-QWRGUYRKSA-N 2 0 234.343 1.932 20 0 BDADRP CCc1nn(C)cc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422986437 387796506 /nfs/dbraw/zinc/79/65/06/387796506.db2.gz GUMVKSOTWCBCKS-NXEZZACHSA-N 2 0 224.352 1.198 20 0 BDADRP Cc1ccsc1[C@H](CO)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422988061 387798955 /nfs/dbraw/zinc/79/89/55/387798955.db2.gz HZZJEGRBTZXNHF-DCAQKATOSA-N 2 0 242.388 1.805 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)CCO1 ZINC000422990519 387800083 /nfs/dbraw/zinc/80/00/83/387800083.db2.gz NREYJSZINLYVIY-DGAVXFQQSA-N 2 0 240.391 1.920 20 0 BDADRP C[C@H]([NH2+]CCC[C@H]1CCCC[C@H]1O)C1C[NH2+]C1 ZINC000422991348 387800391 /nfs/dbraw/zinc/80/03/91/387800391.db2.gz PKSRSMBXXVCDTE-OUCADQQQSA-N 2 0 240.391 1.515 20 0 BDADRP CSCC[C@@H](CO)[NH2+][C@@H](C)CCCC[NH3+] ZINC000422990307 387800623 /nfs/dbraw/zinc/80/06/23/387800623.db2.gz NHVPONOZOOVFAA-QWRGUYRKSA-N 2 0 234.409 1.208 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC1(CCO)CCC1 ZINC000422995507 387802765 /nfs/dbraw/zinc/80/27/65/387802765.db2.gz YETPUTUIHFLPRO-OLZOCXBDSA-N 2 0 240.391 1.789 20 0 BDADRP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422996887 387803407 /nfs/dbraw/zinc/80/34/07/387803407.db2.gz ADSOFEQAAYYDKU-SRVKXCTJSA-N 2 0 230.396 1.745 20 0 BDADRP CC(C)[C@@H](O)C(C)(C)C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000423000712 387804388 /nfs/dbraw/zinc/80/43/88/387804388.db2.gz HFCNATALJZWCST-CMPLNLGQSA-N 2 0 228.380 1.227 20 0 BDADRP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000423000965 387804805 /nfs/dbraw/zinc/80/48/05/387804805.db2.gz HFCNATALJZWCST-JQWIXIFHSA-N 2 0 228.380 1.227 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)COCC(F)(F)F ZINC000422949757 387807101 /nfs/dbraw/zinc/80/71/01/387807101.db2.gz WGKPGVIBIPVWDJ-BDAKNGLRSA-N 2 0 242.285 1.671 20 0 BDADRP CCC[C@H](C(=O)NCC([NH3+])(CC)CC)[NH+](C)C ZINC000422880851 387757587 /nfs/dbraw/zinc/75/75/87/387757587.db2.gz PAFFUJXKLIHGRQ-LLVKDONJSA-N 2 0 243.395 1.350 20 0 BDADRP CC[C@H](CN[C@H](C)C1C[NH2+]C1)[NH+]1CCCC1 ZINC000422961224 387811713 /nfs/dbraw/zinc/81/17/13/387811713.db2.gz BDJPIVTVQVETJG-DGCLKSJQSA-N 2 0 225.380 1.058 20 0 BDADRP CC[N@H+](CCN[C@H]1C[NH2+]CC[C@H]1C)C1CC1 ZINC000422882465 387758040 /nfs/dbraw/zinc/75/80/40/387758040.db2.gz SIRKYMFUGKFYFP-YPMHNXCESA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCCS1 ZINC000422881238 387758568 /nfs/dbraw/zinc/75/85/68/387758568.db2.gz YKGOECCRRMITJM-GRYCIOLGSA-N 2 0 228.405 1.860 20 0 BDADRP CC[N@H+](CCN[C@@H](C)C[C@@H](C)[NH3+])C(C)C ZINC000422885140 387759913 /nfs/dbraw/zinc/75/99/13/387759913.db2.gz YFPJQLNOBOYSDG-NEPJUHHUSA-N 2 0 215.385 1.432 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1NCCOCC1CC1 ZINC000422889018 387760429 /nfs/dbraw/zinc/76/04/29/387760429.db2.gz ONZNCENIBCQCQF-PWSUYJOCSA-N 2 0 212.337 1.001 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)cn1 ZINC000422887248 387760638 /nfs/dbraw/zinc/76/06/38/387760638.db2.gz ARKFPVLCPGFCNK-MFKMUULPSA-N 2 0 237.322 1.828 20 0 BDADRP C[C@@H]([NH2+]C[C@H](C)[NH3+])C1CCSCC1 ZINC000643526741 387761058 /nfs/dbraw/zinc/76/10/58/387761058.db2.gz FRPVBXPTHQIWLC-DTWKUNHWSA-N 2 0 202.367 1.455 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCc1ccccc1O ZINC000422972316 387821470 /nfs/dbraw/zinc/82/14/70/387821470.db2.gz KZQAVHPNUALONM-OLZOCXBDSA-N 2 0 234.343 1.652 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCc1ccccc1O ZINC000422972318 387821933 /nfs/dbraw/zinc/82/19/33/387821933.db2.gz KZQAVHPNUALONM-STQMWFEESA-N 2 0 234.343 1.652 20 0 BDADRP Cc1ccc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cn1 ZINC000162304821 387825088 /nfs/dbraw/zinc/82/50/88/387825088.db2.gz WWAVGCQPHZEXHV-YPMHNXCESA-N 2 0 219.332 1.559 20 0 BDADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422975876 387826628 /nfs/dbraw/zinc/82/66/28/387826628.db2.gz HOYQPJUINHBMDC-SWHYSGLUSA-N 2 0 234.343 1.793 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000442714039 387827097 /nfs/dbraw/zinc/82/70/97/387827097.db2.gz KLYJGWPVTLIAHY-SRVKXCTJSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)[C@@H]1COc2ccccc21 ZINC000423006157 387827884 /nfs/dbraw/zinc/82/78/84/387827884.db2.gz UIAIZFHUOFYVSQ-WDMOLILDSA-N 2 0 246.354 1.749 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000442719613 387828689 /nfs/dbraw/zinc/82/86/89/387828689.db2.gz RPXOWALFSQICFL-SRVKXCTJSA-N 2 0 241.379 1.090 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)[C@H]1CCCC[NH2+]1 ZINC000423005224 387829773 /nfs/dbraw/zinc/82/97/73/387829773.db2.gz LXYUMJQNINQUKO-XDQVBPFNSA-N 2 0 240.391 1.658 20 0 BDADRP CCC(CC)(CO)C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423006829 387829902 /nfs/dbraw/zinc/82/99/02/387829902.db2.gz WNNLXXSKKAEIAU-QWHCGFSZSA-N 2 0 242.407 1.763 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCNc1ccccn1 ZINC000423008184 387831739 /nfs/dbraw/zinc/83/17/39/387831739.db2.gz SNTHHFVTNLSRML-OLZOCXBDSA-N 2 0 248.374 1.471 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)Cc1ccoc1 ZINC000423007991 387831777 /nfs/dbraw/zinc/83/17/77/387831777.db2.gz SCZIFNUHBGQEMO-QWRGUYRKSA-N 2 0 210.321 1.928 20 0 BDADRP Cc1cnccc1CC[NH2+][C@H](C)CCC[NH3+] ZINC000423010368 387833237 /nfs/dbraw/zinc/83/32/37/387833237.db2.gz GCNXXELJXJCKQF-GFCCVEGCSA-N 2 0 221.348 1.650 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCNc1ccccn1 ZINC000423010828 387833714 /nfs/dbraw/zinc/83/37/14/387833714.db2.gz YNXBKQPGMXJUKM-MNOVXSKESA-N 2 0 222.336 1.209 20 0 BDADRP CC(C)(CCO)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000423011083 387834204 /nfs/dbraw/zinc/83/42/04/387834204.db2.gz YXGYVISUGHRQHP-UHFFFAOYSA-N 2 0 228.380 1.502 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[C@H](O)C1)[C@H]1CCCC[NH2+]1 ZINC000423010102 387834433 /nfs/dbraw/zinc/83/44/33/387834433.db2.gz WYYTUBNNADSIGZ-XDQVBPFNSA-N 2 0 240.391 1.658 20 0 BDADRP Cc1cnccc1CC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000423014287 387836516 /nfs/dbraw/zinc/83/65/16/387836516.db2.gz OSZAQIPXGLEPNZ-KBPBESRZSA-N 2 0 233.359 1.650 20 0 BDADRP CC[C@@H](CSC)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000423013989 387836681 /nfs/dbraw/zinc/83/66/81/387836681.db2.gz HFQOCWSJQQWTSF-WPRPVWTQSA-N 2 0 202.367 1.326 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCO[C@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000423017876 387840186 /nfs/dbraw/zinc/84/01/86/387840186.db2.gz PSJWPCNQLTZBIR-NDBYEHHHSA-N 2 0 226.364 1.674 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)CCC[NH3+])[C@H]1CCCO1 ZINC000423016806 387840586 /nfs/dbraw/zinc/84/05/86/387840586.db2.gz UPBTZZRFAXTNHG-SDDRHHMPSA-N 2 0 214.353 1.661 20 0 BDADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000423019276 387840819 /nfs/dbraw/zinc/84/08/19/387840819.db2.gz UYXVSEJGKQRFJD-QNWHQSFQSA-N 2 0 226.364 1.519 20 0 BDADRP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)C1(C)C ZINC000423019090 387841210 /nfs/dbraw/zinc/84/12/10/387841210.db2.gz TYFCTHFSRNWPCR-QNWJLWSRSA-N 2 0 240.391 1.776 20 0 BDADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)C1(C)C ZINC000423019092 387841407 /nfs/dbraw/zinc/84/14/07/387841407.db2.gz TYFCTHFSRNWPCR-SYLRKERUSA-N 2 0 240.391 1.776 20 0 BDADRP CC(C)C(=O)NCCC[NH2+][C@@H](C)CCCC[NH3+] ZINC000423017610 387841504 /nfs/dbraw/zinc/84/15/04/387841504.db2.gz WULBDFYGOPCEOY-LBPRGKRZSA-N 2 0 243.395 1.256 20 0 BDADRP CC(C)C(=O)NCCC[NH2+][C@H](C)CCCC[NH3+] ZINC000423017609 387842261 /nfs/dbraw/zinc/84/22/61/387842261.db2.gz WULBDFYGOPCEOY-GFCCVEGCSA-N 2 0 243.395 1.256 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000423026875 387843549 /nfs/dbraw/zinc/84/35/49/387843549.db2.gz CKGZBKAQRZFRGA-FIQHERPVSA-N 2 0 213.369 1.185 20 0 BDADRP COCCC(C)(C)C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000423029438 387846350 /nfs/dbraw/zinc/84/63/50/387846350.db2.gz AHGVUDLLOPBZSI-QWRGUYRKSA-N 2 0 214.353 1.519 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCCS1 ZINC000423028581 387847297 /nfs/dbraw/zinc/84/72/97/387847297.db2.gz GUDBKGBICJHFHC-HBNTYKKESA-N 2 0 214.378 1.742 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCN(C)[C@@H]1C)[C@H]1CC[NH2+]C1 ZINC000423032426 387848228 /nfs/dbraw/zinc/84/82/28/387848228.db2.gz MSKFOGCTURNMKS-QNWHQSFQSA-N 2 0 225.380 1.057 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1cncc(F)c1 ZINC000423032884 387849250 /nfs/dbraw/zinc/84/92/50/387849250.db2.gz NJOKIKFPTBCUOC-VHSXEESVSA-N 2 0 225.311 1.999 20 0 BDADRP CC[C@H]1CCC[C@@H]1[NH2+]CCOCC[NH2+]C ZINC000629529355 387874027 /nfs/dbraw/zinc/87/40/27/387874027.db2.gz AJFOYDUBOQDQGY-RYUDHWBXSA-N 2 0 214.353 1.391 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000423034958 387851216 /nfs/dbraw/zinc/85/12/16/387851216.db2.gz QXKCFUYWCPCEJD-KGLIPLIRSA-N 3 0 241.423 1.968 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC[C@@H]1CCO[C@H](C)C1 ZINC000423036529 387851706 /nfs/dbraw/zinc/85/17/06/387851706.db2.gz UGTUCRUDNYMTQH-WUHRBBMRSA-N 2 0 228.380 1.907 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000433027814 387852599 /nfs/dbraw/zinc/85/25/99/387852599.db2.gz XBUBOENTJIYYPH-MGPQQGTHSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC[C@H]1CCCCO1 ZINC000423043581 387855468 /nfs/dbraw/zinc/85/54/68/387855468.db2.gz PDZSDXADORFORR-QJPTWQEYSA-N 2 0 214.353 1.661 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC000423043316 387855572 /nfs/dbraw/zinc/85/55/72/387855572.db2.gz OIQFHGDNZXPCNK-HZSPNIEDSA-N 2 0 240.391 1.923 20 0 BDADRP COC1CCC(CC[NH2+][C@@H](C)C2C[NH2+]C2)CC1 ZINC000423042459 387856241 /nfs/dbraw/zinc/85/62/41/387856241.db2.gz ZHMCUEIMCOEXQZ-DCBWTQNWSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H](C)C(F)(F)F ZINC000423048397 387856950 /nfs/dbraw/zinc/85/69/50/387856950.db2.gz HVGAVVZURBDTOH-HTQZYQBOSA-N 2 0 212.259 1.902 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@@]1(C)CCO[C@H]1C1CC1 ZINC000423050874 387859820 /nfs/dbraw/zinc/85/98/20/387859820.db2.gz MYBXUUBPNZTHJE-KWCYVHTRSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@H](C[NH+]1CCCCCC1)N[C@@H](C)C1C[NH2+]C1 ZINC000423050786 387859983 /nfs/dbraw/zinc/85/99/83/387859983.db2.gz MCTDIMGYEXHGMS-OLZOCXBDSA-N 2 0 239.407 1.448 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643535097 387861824 /nfs/dbraw/zinc/86/18/24/387861824.db2.gz IZQFQLCAKCOYDK-AXFHLTTASA-N 2 0 212.337 1.142 20 0 BDADRP C/C=C/C[C@H](CO)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423053694 387862607 /nfs/dbraw/zinc/86/26/07/387862607.db2.gz SHXITVUSIVOVQM-SXGNTYSLSA-N 2 0 226.364 1.421 20 0 BDADRP C[C@H](NCC1([NH+](C)C)CCC1)c1c[nH+]ccc1N ZINC000423060060 387864929 /nfs/dbraw/zinc/86/49/29/387864929.db2.gz NIONSIUTFMZJAF-NSHDSACASA-N 2 0 248.374 1.629 20 0 BDADRP CC[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@@H]12)[C@@H]1CCC[NH2+]1 ZINC000423061270 387865240 /nfs/dbraw/zinc/86/52/40/387865240.db2.gz QIWWPJIKYOKTOY-QSLWVIQJSA-N 2 0 238.375 1.674 20 0 BDADRP CC[C@@H](CO)[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423058257 387865350 /nfs/dbraw/zinc/86/53/50/387865350.db2.gz JBXBRAWXSMFJCA-KWCYVHTRSA-N 2 0 236.359 1.305 20 0 BDADRP CC[C@@H]([NH2+]CC1(CCO)CC1)[C@@H]1CCC[NH2+]1 ZINC000423058619 387865758 /nfs/dbraw/zinc/86/57/58/387865758.db2.gz CVSPYEQNDJRCKQ-NEPJUHHUSA-N 2 0 226.364 1.269 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12)[C@@H]1CCCC[NH2+]1 ZINC000423062126 387866610 /nfs/dbraw/zinc/86/66/10/387866610.db2.gz SMKNEUGHOXZNDK-YHQUGGNUSA-N 2 0 238.375 1.674 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12)[C@H]1CCC[NH2+]1 ZINC000423061662 387867877 /nfs/dbraw/zinc/86/78/77/387867877.db2.gz RDNVZIQOMOXLEX-YYHQMBLXSA-N 2 0 224.348 1.284 20 0 BDADRP CC1(C)[C@H](O)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423066161 387869611 /nfs/dbraw/zinc/86/96/11/387869611.db2.gz WFBXNLWWRQGKNF-JQYRIEHKSA-N 2 0 224.348 1.018 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCOCC(F)F ZINC000423065806 387870162 /nfs/dbraw/zinc/87/01/62/387870162.db2.gz CMSWBSJCEXACQP-VHSXEESVSA-N 2 0 236.306 1.246 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCOC(F)(F)F ZINC000423068450 387870243 /nfs/dbraw/zinc/87/02/43/387870243.db2.gz JVJITIHRNOLIOM-DTWKUNHWSA-N 2 0 240.269 1.772 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C(C)C)C(C)(C)O ZINC000423068193 387870732 /nfs/dbraw/zinc/87/07/32/387870732.db2.gz BDAOGAYSWFMMEE-RYUDHWBXSA-N 2 0 246.395 1.125 20 0 BDADRP CCOC1CC(CC[NH2+][C@@H](C)C[C@H](C)[NH3+])C1 ZINC000423069755 387871443 /nfs/dbraw/zinc/87/14/43/387871443.db2.gz LZCAIBZLNMKADJ-ZSVAQUKISA-N 2 0 228.380 1.907 20 0 BDADRP CC[N@H+](CCNC(=O)[C@@H](C[NH3+])C(C)C)C(C)C ZINC000433148391 387872186 /nfs/dbraw/zinc/87/21/86/387872186.db2.gz AOALPVHMDNYZIJ-LBPRGKRZSA-N 2 0 243.395 1.064 20 0 BDADRP CCN(Cc1ccc2c(c1)OCO2)C[C@H](C)[NH3+] ZINC000442658383 387814916 /nfs/dbraw/zinc/81/49/16/387814916.db2.gz IRLVTOUIIRSWAN-JTQLQIEISA-N 2 0 236.315 1.584 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCCC(F)(F)F ZINC000422965968 387816491 /nfs/dbraw/zinc/81/64/91/387816491.db2.gz MKRUJKNYEMXBON-HTQZYQBOSA-N 2 0 210.243 1.798 20 0 BDADRP COc1ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cc1O ZINC000422966955 387816759 /nfs/dbraw/zinc/81/67/59/387816759.db2.gz AYNAKROVLCKPIO-VHSXEESVSA-N 2 0 238.331 1.616 20 0 BDADRP CC[C@@H]([NH2+]CC(O)(CC)CC)[C@@H]1CCC[NH2+]1 ZINC000422966892 387817336 /nfs/dbraw/zinc/81/73/36/387817336.db2.gz AURHMKJEFHPOEB-NEPJUHHUSA-N 2 0 228.380 1.658 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@@H]1CCC[C@@H]1[NH3+] ZINC000422965648 387817346 /nfs/dbraw/zinc/81/73/46/387817346.db2.gz PDJYUDRMNCQGOD-NWDGAFQWSA-N 2 0 213.369 1.186 20 0 BDADRP C[C@@H]([NH3+])CN(C)[C@H](CCO)c1ccccc1 ZINC000442667424 387819163 /nfs/dbraw/zinc/81/91/63/387819163.db2.gz ZQOYZQACKYZDSV-DGCLKSJQSA-N 2 0 222.332 1.389 20 0 BDADRP CC1(C)SC[C@@H]1[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000423105067 387890711 /nfs/dbraw/zinc/89/07/11/387890711.db2.gz NAEBDRYPEFYRLX-CIUDSAMLSA-N 2 0 200.351 1.350 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000423116618 387898860 /nfs/dbraw/zinc/89/88/60/387898860.db2.gz QPUCOKBBCBTICK-ZYUZMQFOSA-N 2 0 236.306 1.862 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCC[C@H]1OC(F)F)[C@H]1CC[NH2+]C1 ZINC000423109503 387893219 /nfs/dbraw/zinc/89/32/19/387893219.db2.gz HIZKPJFOQANXLX-LMLFDSFASA-N 2 0 248.317 1.734 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCCOC(F)F ZINC000423109511 387894128 /nfs/dbraw/zinc/89/41/28/387894128.db2.gz HKQBTLZGQFIBHT-NXEZZACHSA-N 2 0 236.306 1.865 20 0 BDADRP CCC[N@@H+]1CCC[C@H]1CN[C@H](C)C[C@H](C)[NH3+] ZINC000423114948 387895733 /nfs/dbraw/zinc/89/57/33/387895733.db2.gz WMGOGYDSDDOZRI-XQQFMLRXSA-N 2 0 227.396 1.576 20 0 BDADRP C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423113631 387897153 /nfs/dbraw/zinc/89/71/53/387897153.db2.gz URNFAPIBRUOPJP-YIYPIFLZSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000423116616 387898092 /nfs/dbraw/zinc/89/80/92/387898092.db2.gz QPUCOKBBCBTICK-SGIHWFKDSA-N 2 0 236.306 1.862 20 0 BDADRP CO[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000423118000 387898124 /nfs/dbraw/zinc/89/81/24/387898124.db2.gz YBEIFGLXSUAMHU-DLOVCJGASA-N 2 0 212.337 1.142 20 0 BDADRP CC(C)[C@H]([NH2+][C@H](C)CCCC[NH3+])C(C)(C)O ZINC000423081165 387875975 /nfs/dbraw/zinc/87/59/75/387875975.db2.gz UJFURVUIKDTREH-NEPJUHHUSA-N 2 0 230.396 1.889 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CC[C@H](OC)C1)[C@@H]1CCC[NH2+]1 ZINC000423076032 387876110 /nfs/dbraw/zinc/87/61/10/387876110.db2.gz YFZXWQYZHXFFNM-VOAKCMCISA-N 2 0 226.364 1.674 20 0 BDADRP C[C@@H](NCC[N@@H+]1CCCC(C)(C)C1)C1C[NH2+]C1 ZINC000423078328 387876528 /nfs/dbraw/zinc/87/65/28/387876528.db2.gz VRTKHYZANWDMQT-GFCCVEGCSA-N 2 0 239.407 1.306 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)NCC(C)(C)C[NH+]1CCCC1 ZINC000423080915 387877018 /nfs/dbraw/zinc/87/70/18/387877018.db2.gz UACGFNJUKUQJCI-CHWSQXEVSA-N 2 0 241.423 1.824 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCSC1 ZINC000423082910 387878239 /nfs/dbraw/zinc/87/82/39/387878239.db2.gz FEQBEHRTVLWSSP-GRYCIOLGSA-N 2 0 228.405 1.717 20 0 BDADRP COC(=O)[C@H]1CC[C@@H]([NH2+][C@H](C)CCCC[NH3+])C1 ZINC000423083210 387878614 /nfs/dbraw/zinc/87/86/14/387878614.db2.gz FOZPIPJOJVDZKT-GRYCIOLGSA-N 2 0 242.363 1.435 20 0 BDADRP CC(C)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)(C)O ZINC000423082758 387879033 /nfs/dbraw/zinc/87/90/33/387879033.db2.gz XIYPQPIUTMTBJA-HNGCFSAESA-N 2 0 240.391 1.655 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000423082959 387879069 /nfs/dbraw/zinc/87/90/69/387879069.db2.gz FXUSVUUCFTWQJM-VXGBXAGGSA-N 2 0 240.391 1.645 20 0 BDADRP CC(C)[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)C(C)(C)O ZINC000423083135 387879348 /nfs/dbraw/zinc/87/93/48/387879348.db2.gz YIKPYRHNFFROCH-WOPDTQHZSA-N 2 0 228.380 1.512 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@H]1N(C)CCCC1(C)C ZINC000423086471 387880210 /nfs/dbraw/zinc/88/02/10/387880210.db2.gz NESHKKSOUXEMAQ-CHWSQXEVSA-N 2 0 241.423 1.824 20 0 BDADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])C1 ZINC000423092835 387882179 /nfs/dbraw/zinc/88/21/79/387882179.db2.gz DPWGNUYRFPDBQR-KKOKHZNYSA-N 2 0 242.363 1.434 20 0 BDADRP CCn1cccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])c1=O ZINC000423090168 387882386 /nfs/dbraw/zinc/88/23/86/387882386.db2.gz USCBETJXRPTXPS-AAEUAGOBSA-N 2 0 249.358 1.085 20 0 BDADRP CCC[C@H](CCO)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000152413746 387884028 /nfs/dbraw/zinc/88/40/28/387884028.db2.gz XYJXZINTUUSKSR-MCIONIFRSA-N 2 0 242.407 1.857 20 0 BDADRP COCC1(C[NH2+]C2CCC(C[NH3+])CC2)CCC1 ZINC000423116121 387898609 /nfs/dbraw/zinc/89/86/09/387898609.db2.gz OWGWWMTZJWGOHL-UHFFFAOYSA-N 2 0 240.391 1.910 20 0 BDADRP CC[C@@H](NCC[N@H+]1CC=CCC1)[C@@H]1CCC[NH2+]1 ZINC000423095222 387884825 /nfs/dbraw/zinc/88/48/25/387884825.db2.gz LQPVIEOPKWWEGI-KGLIPLIRSA-N 2 0 237.391 1.369 20 0 BDADRP CC[C@H]([NH2+]CC1(COC)CCC1)[C@@H]1CCC[NH2+]1 ZINC000423116018 387898786 /nfs/dbraw/zinc/89/87/86/387898786.db2.gz OQACKRFBKJALTM-STQMWFEESA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H](O)CC(C)(C)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000393689807 387887687 /nfs/dbraw/zinc/88/76/87/387887687.db2.gz DNKQZPWOZJUMGF-RYUDHWBXSA-N 2 0 230.396 1.891 20 0 BDADRP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CCC(F)(F)C2)CCCO1 ZINC000313357061 387888419 /nfs/dbraw/zinc/88/84/19/387888419.db2.gz SUVQLGVAMIOWQA-GHMZBOCLSA-N 2 0 248.317 1.471 20 0 BDADRP CO[C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])C1CC1 ZINC000423140210 387918538 /nfs/dbraw/zinc/91/85/38/387918538.db2.gz XTJUASFWGWLQJS-IQJOONFLSA-N 2 0 200.326 1.127 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000423118184 387901544 /nfs/dbraw/zinc/90/15/44/387901544.db2.gz ZEANHXQWRHHELM-UMNHJUIQSA-N 2 0 236.363 1.513 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+][C@H]2CCCOC2)c2ccccc21 ZINC000423123256 387902752 /nfs/dbraw/zinc/90/27/52/387902752.db2.gz KUXJKMIIFIGTHT-LEWSCRJBSA-N 2 0 232.327 1.900 20 0 BDADRP OC[C@H](CC1CCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423122436 387903547 /nfs/dbraw/zinc/90/35/47/387903547.db2.gz CEVZMMNMMPAUGI-PIGZVRMJSA-N 2 0 238.375 1.410 20 0 BDADRP CCOCC(C)(C)C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000423125438 387903712 /nfs/dbraw/zinc/90/37/12/387903712.db2.gz QKUJQIACXUYPFS-JTQLQIEISA-N 2 0 214.353 1.247 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](CO)CC1CCC1 ZINC000423126888 387904847 /nfs/dbraw/zinc/90/48/47/387904847.db2.gz JFQJSEAYEGJXED-WCQYABFASA-N 2 0 228.380 1.645 20 0 BDADRP CCOCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000423126698 387904848 /nfs/dbraw/zinc/90/48/48/387904848.db2.gz SKSFLEQHWBLDDX-WDEREUQCSA-N 2 0 214.353 1.519 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000423130384 387906909 /nfs/dbraw/zinc/90/69/09/387906909.db2.gz SAWFPUQYBWBCAL-QNWHQSFQSA-N 2 0 226.364 1.255 20 0 BDADRP CCCC[N@H+](C)C[C@H](C)N[C@@H](C)C[C@H](C)[NH3+] ZINC000423130508 387907985 /nfs/dbraw/zinc/90/79/85/387907985.db2.gz YRSJHVGCJQBQLX-AVGNSLFASA-N 2 0 229.412 1.822 20 0 BDADRP CC[C@H]([NH2+]CC[C@H](C)F)[C@@H]1CCC[NH2+]1 ZINC000423131278 387909792 /nfs/dbraw/zinc/90/97/92/387909792.db2.gz HWLVAMREJSCQKJ-DCAQKATOSA-N 2 0 202.317 1.855 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](CO)C1CC1 ZINC000423134190 387911431 /nfs/dbraw/zinc/91/14/31/387911431.db2.gz DMIQXNUANIWUEO-YNEHKIRRSA-N 2 0 226.364 1.112 20 0 BDADRP CCC[N@H+](CC)C[C@@H](C)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000423135209 387911544 /nfs/dbraw/zinc/91/15/44/387911544.db2.gz FNNZXLABHVHHKD-MGPQQGTHSA-N 2 0 241.423 1.694 20 0 BDADRP C[C@@H](F)CC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423135276 387913675 /nfs/dbraw/zinc/91/36/75/387913675.db2.gz NFBGQIPFNVCHRG-GMTAPVOTSA-N 2 0 202.317 1.855 20 0 BDADRP CC(C)OCC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000164644713 387915714 /nfs/dbraw/zinc/91/57/14/387915714.db2.gz PLBBXHNVOYGOPQ-NEPJUHHUSA-N 2 0 214.353 1.341 20 0 BDADRP C[C@H](F)CC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000423138929 387916280 /nfs/dbraw/zinc/91/62/80/387916280.db2.gz UKLJPHNWMRVWBD-VWYCJHECSA-N 2 0 202.317 1.712 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)N[C@@H](C)C1C[NH2+]C1 ZINC000423141745 387917759 /nfs/dbraw/zinc/91/77/59/387917759.db2.gz ROVWLSCEIBYKAZ-RYUDHWBXSA-N 2 0 227.396 1.304 20 0 BDADRP Cc1ccncc1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000423151905 387929907 /nfs/dbraw/zinc/92/99/07/387929907.db2.gz KTNNWWKLAHLOEV-UHFFFAOYSA-N 2 0 233.359 1.997 20 0 BDADRP CC[C@@H]([NH2+]CCC[C@@H]1CCOC1)[C@@H]1CCC[NH2+]1 ZINC000423151437 387930116 /nfs/dbraw/zinc/93/01/16/387930116.db2.gz DEWWFGUAVIAPQU-MCIONIFRSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC(C)(C)C(C)(C)O ZINC000423155700 387933909 /nfs/dbraw/zinc/93/39/09/387933909.db2.gz LIIOAYCKNHOFDW-RYUDHWBXSA-N 2 0 242.407 1.761 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1C[C@@H](OC(C)C)C1 ZINC000423157673 387936105 /nfs/dbraw/zinc/93/61/05/387936105.db2.gz BKSDFXAZWOWVJT-RWMBFGLXSA-N 2 0 244.379 1.286 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000423144758 387921257 /nfs/dbraw/zinc/92/12/57/387921257.db2.gz HWFNWFRVCCOKRO-NOOOWODRSA-N 2 0 214.328 1.984 20 0 BDADRP COC[C@@H](C)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000237165649 387925093 /nfs/dbraw/zinc/92/50/93/387925093.db2.gz QVCIOHIRTQMYTA-GFCCVEGCSA-N 2 0 236.359 1.873 20 0 BDADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@H]2CCC[C@@H]2[NH3+])CCO1 ZINC000423147343 387925161 /nfs/dbraw/zinc/92/51/61/387925161.db2.gz CJLBHDUSQUTZJD-RFGFWPKPSA-N 2 0 240.391 1.907 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCC[C@@H]1F)[C@@H]1CC[NH2+]C1 ZINC000423147470 387925523 /nfs/dbraw/zinc/92/55/23/387925523.db2.gz SECPRWXSCBYXCF-CHWFTXMASA-N 2 0 200.301 1.465 20 0 BDADRP CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000423149795 387927226 /nfs/dbraw/zinc/92/72/26/387927226.db2.gz IBQBUEXRZXPLSK-MROQNXINSA-N 2 0 210.365 1.996 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000424285569 387952466 /nfs/dbraw/zinc/95/24/66/387952466.db2.gz FWVSTHNCCWIUIJ-YNEHKIRRSA-N 3 0 225.380 1.236 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000423168055 387952483 /nfs/dbraw/zinc/95/24/83/387952483.db2.gz UDFKAGPHZLAECM-XQQFMLRXSA-N 2 0 226.364 1.376 20 0 BDADRP C[C@@H]([NH2+]CCC[C@H]1CCOC1)[C@H]1CCC[NH2+]1 ZINC000423168198 387953259 /nfs/dbraw/zinc/95/32/59/387953259.db2.gz XPRADVCYWJSPAB-FRRDWIJNSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCN1CCCC1(C)C ZINC000423168927 387955472 /nfs/dbraw/zinc/95/54/72/387955472.db2.gz VKPONTASUYYVLM-CYBMUJFWSA-N 2 0 241.423 1.968 20 0 BDADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424224633 387938252 /nfs/dbraw/zinc/93/82/52/387938252.db2.gz OECOGFRKFQEZKO-ZWNOBZJWSA-N 2 0 249.358 1.766 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000423158423 387939991 /nfs/dbraw/zinc/93/99/91/387939991.db2.gz WSYPEUIDKOUVIX-RKFYDKJMSA-N 2 0 237.391 1.199 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)C[C@@H]2CC[NH2+]C2)c1 ZINC000424234201 387943101 /nfs/dbraw/zinc/94/31/01/387943101.db2.gz GLCZQNVXCZMVJU-NSHDSACASA-N 2 0 247.342 1.392 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCOCC1CCCC1 ZINC000423161826 387943586 /nfs/dbraw/zinc/94/35/86/387943586.db2.gz JTMZIVQVNNQEEW-NEPJUHHUSA-N 2 0 228.380 1.909 20 0 BDADRP CC[C@@H]([NH2+]CC1(CC)COC1)[C@@H]1CCC[NH2+]1 ZINC000423164216 387945276 /nfs/dbraw/zinc/94/52/76/387945276.db2.gz SJEQNFCGQJUEGY-NEPJUHHUSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H](CC(C)(C)O)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423163482 387946070 /nfs/dbraw/zinc/94/60/70/387946070.db2.gz VOLOUUZAISCANE-DCAQKATOSA-N 2 0 214.353 1.266 20 0 BDADRP C([NH2+][C@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)[C@H]1CCCO1 ZINC000423165528 387948688 /nfs/dbraw/zinc/94/86/88/387948688.db2.gz YIWPBXNRFNDZNT-MQYQWHSLSA-N 2 0 238.375 1.676 20 0 BDADRP CCC1(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])COC1 ZINC000423166646 387950283 /nfs/dbraw/zinc/95/02/83/387950283.db2.gz VNYWFOBTKAINQV-RYUDHWBXSA-N 2 0 226.364 1.663 20 0 BDADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])C1 ZINC000423166229 387950755 /nfs/dbraw/zinc/95/07/55/387950755.db2.gz QZIISFOYKGVMDD-FIQHERPVSA-N 2 0 214.353 1.658 20 0 BDADRP Cc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])nc1 ZINC000423165828 387950891 /nfs/dbraw/zinc/95/08/91/387950891.db2.gz QJWHLHVADGFVIW-TZMCWYRMSA-N 2 0 233.359 1.650 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+][C@H](C)C2C[NH2+]C2)C12CCC2 ZINC000423172787 387960161 /nfs/dbraw/zinc/96/01/61/387960161.db2.gz VGENCBOOCHAKQR-ADEWGFFLSA-N 2 0 224.348 1.142 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1NCC1([NH3+])CCCCC1 ZINC000423179317 387966486 /nfs/dbraw/zinc/96/64/86/387966486.db2.gz LXYPMZSGUWUOJF-CHWSQXEVSA-N 2 0 239.407 1.755 20 0 BDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NCC[NH3+])C1 ZINC000423182376 387967374 /nfs/dbraw/zinc/96/73/74/387967374.db2.gz LPRQRUWFAPWAPZ-OCCSQVGLSA-N 2 0 233.359 1.370 20 0 BDADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccncc1 ZINC000423183390 387968241 /nfs/dbraw/zinc/96/82/41/387968241.db2.gz ROTNNHXAYPDXKV-CYBMUJFWSA-N 2 0 248.374 1.028 20 0 BDADRP CCOC[C@H]1CCC[C@@H]1[NH2+]CCC[NH3+] ZINC000423181089 387968311 /nfs/dbraw/zinc/96/83/11/387968311.db2.gz FJCLCNIDTUYXGC-MNOVXSKESA-N 2 0 200.326 1.130 20 0 BDADRP [NH3+]CCC[NH2+][C@H]1CCc2ccccc2OC1 ZINC000423184738 387969059 /nfs/dbraw/zinc/96/90/59/387969059.db2.gz INUFQUKJMVKSNF-LBPRGKRZSA-N 2 0 220.316 1.319 20 0 BDADRP CC1(C)CC[C@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423185216 387970549 /nfs/dbraw/zinc/97/05/49/387970549.db2.gz NBOWARSSGROHDU-GFCCVEGCSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@@H]([NH2+]CCC[NH3+])c1ccc(-n2cncn2)cc1 ZINC000423186139 387971756 /nfs/dbraw/zinc/97/17/56/387971756.db2.gz WMHCJTKMAUVVIE-LLVKDONJSA-N 2 0 245.330 1.267 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000423170323 387957296 /nfs/dbraw/zinc/95/72/96/387957296.db2.gz LPGAUAPLKRVLMD-XQQFMLRXSA-N 3 0 227.396 1.434 20 0 BDADRP C[NH2+]C[C@H](C)c1nc(C2([NH3+])CCCCC2)no1 ZINC000424334799 387979199 /nfs/dbraw/zinc/97/91/99/387979199.db2.gz GGAGTXCLQRUKKD-VIFPVBQESA-N 2 0 238.335 1.511 20 0 BDADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1CCC[NH2+]C1 ZINC000423195497 387980664 /nfs/dbraw/zinc/98/06/64/387980664.db2.gz SSCGBXDQFOZERN-QEJZJMRPSA-N 2 0 247.386 1.287 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H](C)CC(=O)Nc1ccccc1 ZINC000423189339 387973410 /nfs/dbraw/zinc/97/34/10/387973410.db2.gz PFRKCWHUBPMCKQ-LBPRGKRZSA-N 2 0 249.358 1.603 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH+]2C)CCCO1 ZINC000245694974 387973754 /nfs/dbraw/zinc/97/37/54/387973754.db2.gz WSHGXOGVRNIDLX-CHWSQXEVSA-N 2 0 226.364 1.582 20 0 BDADRP COCC1CCC([NH2+][C@@H]2CCC[NH2+]CC2)CC1 ZINC000423190509 387975508 /nfs/dbraw/zinc/97/55/08/387975508.db2.gz RXCJEYDNYWOLJV-ROKHWSDSSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000423201089 387987579 /nfs/dbraw/zinc/98/75/79/387987579.db2.gz HIYGFEQOYIFCQX-OLZOCXBDSA-N 2 0 239.407 1.306 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]CCC[NH2+]C)C12CCCC2 ZINC000423202214 387987962 /nfs/dbraw/zinc/98/79/62/387987962.db2.gz QHVZLNJOZAGVPF-CHWSQXEVSA-N 2 0 240.391 1.923 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCSC1 ZINC000424362447 387989447 /nfs/dbraw/zinc/98/94/47/387989447.db2.gz ABRJKTKFJNYLKK-GMTAPVOTSA-N 2 0 214.378 1.599 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)O1 ZINC000423204494 387990041 /nfs/dbraw/zinc/99/00/41/387990041.db2.gz BAFREBWHTDHARV-SYBDTXHTSA-N 2 0 224.348 1.425 20 0 BDADRP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CC1(CO)CC1 ZINC000446068178 387991406 /nfs/dbraw/zinc/99/14/06/387991406.db2.gz FDNLHTFBEDACMY-ZDUSSCGKSA-N 2 0 240.391 1.565 20 0 BDADRP C[NH2+]CCC[NH2+][C@H](C)C1CCSCC1 ZINC000423206973 387991788 /nfs/dbraw/zinc/99/17/88/387991788.db2.gz XLFKXMPUQOJFLS-SNVBAGLBSA-N 2 0 216.394 1.717 20 0 BDADRP C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CCN1CC[NH2+]CC1 ZINC000423206357 387991829 /nfs/dbraw/zinc/99/18/29/387991829.db2.gz QNEQCMNANDOUDO-RDBSUJKOSA-N 2 0 237.391 1.060 20 0 BDADRP CC[C@@H]1CCC[N@H+](CCOCC[NH3+])CC1 ZINC000086435836 135084231 /nfs/dbraw/zinc/08/42/31/135084231.db2.gz WDQGHVDFVYEUCJ-GFCCVEGCSA-N 2 0 214.353 1.474 20 0 BDADRP C[NH2+]CCC[NH2+][C@H](C)Cc1ccc(OC)nc1 ZINC000423208566 387993349 /nfs/dbraw/zinc/99/33/49/387993349.db2.gz ZFEUSLQXBYOXJQ-LLVKDONJSA-N 2 0 237.347 1.220 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424369509 387994156 /nfs/dbraw/zinc/99/41/56/387994156.db2.gz BYDGTEHHMBCFQY-QXALJWCJSA-N 2 0 238.375 1.517 20 0 BDADRP CCN1C[C@H]([NH2+]C2CCC([NH3+])CC2)[C@@H](C)C1 ZINC000423211339 387995694 /nfs/dbraw/zinc/99/56/94/387995694.db2.gz GXHBGHIOBSGKTJ-WTIISPKJSA-N 3 0 225.380 1.186 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000423199338 387986412 /nfs/dbraw/zinc/98/64/12/387986412.db2.gz JTXZHFVLBPLSJY-BFHYXJOUSA-N 2 0 240.391 1.781 20 0 BDADRP C1C[C@@H]([NH2+][C@H]2CCCC[C@@H]2[C@@H]2CCOC2)C[NH2+]1 ZINC000423210331 387995778 /nfs/dbraw/zinc/99/57/78/387995778.db2.gz HKCRTAXGVWBOMN-SYQHCUMBSA-N 2 0 238.375 1.533 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CC1([NH3+])CCCCCC1 ZINC000423201809 387987071 /nfs/dbraw/zinc/98/70/71/387987071.db2.gz PRIZDXJHXINSMV-LBPRGKRZSA-N 3 0 227.396 1.755 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC[C@@H]1CCC[NH2+]C1 ZINC000423214254 387996983 /nfs/dbraw/zinc/99/69/83/387996983.db2.gz ONFHYTGPMPNHSH-YRGRVCCFSA-N 2 0 237.391 1.058 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C1CCOCC1 ZINC000424374426 387999428 /nfs/dbraw/zinc/99/94/28/387999428.db2.gz LAIGQFSNGNHONE-CYZMBNFOSA-N 2 0 226.364 1.661 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424382732 388001690 /nfs/dbraw/zinc/00/16/90/388001690.db2.gz SLBXNWFGQHLRBV-CYDGBPFRSA-N 2 0 208.349 1.892 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]CC[C@H](C)[NH3+])C12CCC2 ZINC000423225751 388007939 /nfs/dbraw/zinc/00/79/39/388007939.db2.gz OCGYXMWBMMWAOU-QJPTWQEYSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@H]([NH3+])CCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423226564 388010009 /nfs/dbraw/zinc/01/00/09/388010009.db2.gz REHKSGPCAMNLLM-RFQIPJPRSA-N 2 0 239.407 1.624 20 0 BDADRP CC[N@H+]1C[C@H](N[C@@H]2CCCC[C@H]2[NH3+])[C@@H](C)C1 ZINC000424373577 387996446 /nfs/dbraw/zinc/99/64/46/387996446.db2.gz JTFSDXAQQHUTNC-LOWDOPEQSA-N 2 0 225.380 1.186 20 0 BDADRP C[C@@H](NC[C@H]([NH3+])c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000423241587 388024472 /nfs/dbraw/zinc/02/44/72/388024472.db2.gz DHXWAKYHQVPOKZ-KWCYVHTRSA-N 2 0 233.359 1.417 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)CC(=O)Nc1ccccc1 ZINC000423241471 388024835 /nfs/dbraw/zinc/02/48/35/388024835.db2.gz XTIUISSYXUOQSW-RYUDHWBXSA-N 2 0 249.358 1.731 20 0 BDADRP COCCC[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423230452 388015479 /nfs/dbraw/zinc/01/54/79/388015479.db2.gz DPBPQOJVFBFABR-QWRGUYRKSA-N 2 0 200.326 1.143 20 0 BDADRP C[NH2+]CCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423238100 388021960 /nfs/dbraw/zinc/02/19/60/388021960.db2.gz FBNVKVHWMDJZJO-JHJVBQTASA-N 2 0 225.380 1.106 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)[C@H]1CCCC[NH2+]1 ZINC000423238447 388022571 /nfs/dbraw/zinc/02/25/71/388022571.db2.gz AKEWJBHMQKWAEU-JHJVBQTASA-N 3 0 225.380 1.106 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccco1 ZINC000423252008 388033085 /nfs/dbraw/zinc/03/30/85/388033085.db2.gz SUKJAYYKTUDFQU-MNOVXSKESA-N 2 0 208.305 1.930 20 0 BDADRP C[C@@H]1C[C@@H](NC[C@@H]([NH3+])c2ccccc2)CC[N@@H+]1C ZINC000423253656 388034976 /nfs/dbraw/zinc/03/49/76/388034976.db2.gz ZGUCUVSIMQVVQP-VHDGCEQUSA-N 2 0 247.386 1.759 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCC[C@H]1CCOC ZINC000423255958 388036384 /nfs/dbraw/zinc/03/63/84/388036384.db2.gz BBFUDAZJYOXTMN-AVGNSLFASA-N 2 0 228.380 1.637 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])N[C@@H](C[NH3+])C1CCCCC1 ZINC000423265305 388044450 /nfs/dbraw/zinc/04/44/50/388044450.db2.gz QTXPYYBBRJCOCC-LOWVWBTDSA-N 2 0 227.396 1.609 20 0 BDADRP C[C@H](N[C@H](C[NH3+])C1CCCCC1)[C@H]1CCC[NH2+]1 ZINC000423258629 388038802 /nfs/dbraw/zinc/03/88/02/388038802.db2.gz CDWPYUOJIKYDTQ-IACUBPJLSA-N 2 0 239.407 1.624 20 0 BDADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)Cc1ccoc1 ZINC000423264216 388041533 /nfs/dbraw/zinc/04/15/33/388041533.db2.gz BTJYTUBRIIUMAR-CMPLNLGQSA-N 2 0 210.321 1.784 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])N[C@H](C[NH3+])C1CCCCC1 ZINC000423265301 388043430 /nfs/dbraw/zinc/04/34/30/388043430.db2.gz QTXPYYBBRJCOCC-DMDPSCGWSA-N 2 0 227.396 1.609 20 0 BDADRP CC[NH2+]CCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423242801 388026379 /nfs/dbraw/zinc/02/63/79/388026379.db2.gz VWBDNMGWTUWFRH-MELADBBJSA-N 2 0 239.407 1.496 20 0 BDADRP C[C@@H](NC[C@@H]([NH3+])c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000423244552 388027495 /nfs/dbraw/zinc/02/74/95/388027495.db2.gz HRSQNVZJZVXTPU-YUELXQCFSA-N 2 0 247.386 1.807 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]C[C@@H](N)c1ccccc1 ZINC000423244954 388027781 /nfs/dbraw/zinc/02/77/81/388027781.db2.gz ICMZNBSLEGIRCU-WCQYABFASA-N 2 0 221.348 1.403 20 0 BDADRP Cc1ncc([C@@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)c(C)n1 ZINC000423245088 388028511 /nfs/dbraw/zinc/02/85/11/388028511.db2.gz INHVLQZVPBKJDY-MFKMUULPSA-N 2 0 248.374 1.744 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)[C@H](C)O1 ZINC000423246009 388030768 /nfs/dbraw/zinc/03/07/68/388030768.db2.gz JOFHCTHDWOIQCK-RHYQMDGZSA-N 2 0 212.337 1.142 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)C1CCSCC1 ZINC000423271661 388052112 /nfs/dbraw/zinc/05/21/12/388052112.db2.gz JFDFSYAEZSSCOC-GHMZBOCLSA-N 2 0 230.421 1.963 20 0 BDADRP CC(C)[C@@H]([NH3+])C[NH2+][C@H]1CCCC12CCOCC2 ZINC000423274883 388054397 /nfs/dbraw/zinc/05/43/97/388054397.db2.gz MRLYIJBQUZLTBJ-STQMWFEESA-N 2 0 240.391 1.909 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])[C@@H]1CCOC1 ZINC000423274439 388054719 /nfs/dbraw/zinc/05/47/19/388054719.db2.gz KMUFSTWRWLPBDQ-YIYPIFLZSA-N 2 0 240.391 1.909 20 0 BDADRP CCOCCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000083552468 388055177 /nfs/dbraw/zinc/05/51/77/388055177.db2.gz CIDUXYVDARWAIJ-FUNVUKJBSA-N 2 0 226.364 1.628 20 0 BDADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000423277767 388058294 /nfs/dbraw/zinc/05/82/94/388058294.db2.gz OPQDISZMBOAQHR-REWJHTLYSA-N 2 0 239.407 1.434 20 0 BDADRP C[C@H]([NH2+]CC(C)(C)[NH3+])C1CCSCC1 ZINC000423281820 388063063 /nfs/dbraw/zinc/06/30/63/388063063.db2.gz BXHQXIAGOXYCQO-VIFPVBQESA-N 2 0 216.394 1.845 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423281996 388063837 /nfs/dbraw/zinc/06/38/37/388063837.db2.gz VQOGWZBXOPCZST-MCIONIFRSA-N 2 0 233.359 1.704 20 0 BDADRP CC(C)[C@@H]([NH3+])CN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423282265 388065213 /nfs/dbraw/zinc/06/52/13/388065213.db2.gz VRNQCYXQEQWGOZ-SRVKXCTJSA-N 2 0 213.369 1.090 20 0 BDADRP C[NH2+]C[C@H](C)CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000423285405 388068320 /nfs/dbraw/zinc/06/83/20/388068320.db2.gz ZMTSQMIMEBELPP-IGQOVBAYSA-N 2 0 239.407 1.304 20 0 BDADRP [NH3+]C[C@H](N[C@H]1C[C@@H]([NH3+])c2ccccc21)C1CC1 ZINC000423285452 388069031 /nfs/dbraw/zinc/06/90/31/388069031.db2.gz YCESZRNBISWFMD-RDBSUJKOSA-N 2 0 231.343 1.458 20 0 BDADRP C[NH2+]C[C@@H]1CCN(Cc2ccncc2Cl)C1 ZINC000084085851 388069670 /nfs/dbraw/zinc/06/96/70/388069670.db2.gz IMZRSBOCIKHDMZ-JTQLQIEISA-N 2 0 239.750 1.776 20 0 BDADRP CCOC(=O)[C@H](CC)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000084105465 388072045 /nfs/dbraw/zinc/07/20/45/388072045.db2.gz BITQYMXXLXTMAY-NEPJUHHUSA-N 2 0 242.363 1.389 20 0 BDADRP CCC([NH3+])(CC)C[NH2+][C@H]1CCO[C@H](C)C1 ZINC000423288720 388073691 /nfs/dbraw/zinc/07/36/91/388073691.db2.gz UQTJQGSUMJYFGG-MNOVXSKESA-N 2 0 214.353 1.661 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000423291642 388075703 /nfs/dbraw/zinc/07/57/03/388075703.db2.gz JERALCMCHDZGTP-TUAOUCFPSA-N 3 0 235.375 1.922 20 0 BDADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000423293266 388075986 /nfs/dbraw/zinc/07/59/86/388075986.db2.gz QPPQKBYMLODHOP-TUKIKUTGSA-N 3 0 247.386 1.923 20 0 BDADRP CCC([NH3+])(CC)C[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000423291391 388076249 /nfs/dbraw/zinc/07/62/49/388076249.db2.gz ICRMPNPMWLPBRR-OUAUKWLOSA-N 2 0 214.353 1.659 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000423296727 388079076 /nfs/dbraw/zinc/07/90/76/388079076.db2.gz HOHUMRQWPVLPMF-AGIUHOORSA-N 2 0 227.396 1.624 20 0 BDADRP CC[C@@](C)(O)C[N@H+](C)CCCn1ccnc1 ZINC000162137102 388115791 /nfs/dbraw/zinc/11/57/91/388115791.db2.gz LYKHOLZHEVBWGD-GFCCVEGCSA-N 2 0 225.336 1.366 20 0 BDADRP C[C@H](CO)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000086494511 388103977 /nfs/dbraw/zinc/10/39/77/388103977.db2.gz FAHIOKOCLKYBRN-QNWHQSFQSA-N 2 0 226.364 1.125 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000423270720 388048772 /nfs/dbraw/zinc/04/87/72/388048772.db2.gz IFVZBQACWNVPPJ-TZMCWYRMSA-N 2 0 248.370 1.825 20 0 BDADRP CC[C@@H]([NH2+]C[C@H](C)C[NH2+]C)c1cnn(C)c1 ZINC000423271274 388050245 /nfs/dbraw/zinc/05/02/45/388050245.db2.gz IVBZWYJBKLRQAF-ZYHUDNBSSA-N 2 0 224.352 1.316 20 0 BDADRP CCN(CCO)CC[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C ZINC000449250164 388162323 /nfs/dbraw/zinc/16/23/23/388162323.db2.gz OCUKJFWTZPCDDF-MELADBBJSA-N 2 0 242.407 1.715 20 0 BDADRP CCN(CCO)CC[NH2+][C@H](C)CC(C)(C)C ZINC000449249717 388162703 /nfs/dbraw/zinc/16/27/03/388162703.db2.gz MVGNHOJWXALHOQ-GFCCVEGCSA-N 2 0 230.396 1.715 20 0 BDADRP C[C@@H](Cc1ccoc1)[NH2+]CCC[NH+](C)C ZINC000449062967 388137734 /nfs/dbraw/zinc/13/77/34/388137734.db2.gz LBVUWGWLYFFOAM-NSHDSACASA-N 2 0 210.321 1.752 20 0 BDADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@H](C)[NH2+]C1CC1 ZINC000449122588 388145489 /nfs/dbraw/zinc/14/54/89/388145489.db2.gz MAJFJPASPLJTET-GWCFXTLKSA-N 2 0 241.379 1.007 20 0 BDADRP CC1(C)CC([NH2+]C[C@@H]2CCCN2CCCO)C1 ZINC000449386976 388191036 /nfs/dbraw/zinc/19/10/36/388191036.db2.gz KFFQCNXYZSYQIA-ZDUSSCGKSA-N 2 0 240.391 1.611 20 0 BDADRP CC(C)C[C@H](C)[NH2+]C[C@@H]1CCCN1CCCO ZINC000449387655 388191171 /nfs/dbraw/zinc/19/11/71/388191171.db2.gz MLDPSQYIHTXLLT-KBPBESRZSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCCN1CCCO)C1CCC1 ZINC000449386667 388191223 /nfs/dbraw/zinc/19/12/23/388191223.db2.gz JBFVPOUKENPWJN-TZMCWYRMSA-N 2 0 240.391 1.611 20 0 BDADRP Cc1nccn1CCC[N@H+]1CC[C@@H](CO)[C@H]1C ZINC000488745305 388193031 /nfs/dbraw/zinc/19/30/31/388193031.db2.gz CUMMGRMFUYBPCT-YPMHNXCESA-N 2 0 237.347 1.284 20 0 BDADRP CCN1C[C@H]([NH2+][C@H](C)CC(C)(C)O)[C@@H](C)C1 ZINC000449449189 388208179 /nfs/dbraw/zinc/20/81/79/388208179.db2.gz KQBOAXNYHVZESA-TUAOUCFPSA-N 2 0 228.380 1.466 20 0 BDADRP CC(C)[C@@H]([NH3+])C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000489468537 388216104 /nfs/dbraw/zinc/21/61/04/388216104.db2.gz IQGOOUDHTHFPLP-ZWNOBZJWSA-N 2 0 249.358 1.306 20 0 BDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@@H]1CCCC1(F)F ZINC000449490540 388217505 /nfs/dbraw/zinc/21/75/05/388217505.db2.gz CGCVSWHYFLIFAL-VWYCJHECSA-N 2 0 232.318 1.962 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CCSC2)C[C@@H]1[NH3+] ZINC000261528608 135154193 /nfs/dbraw/zinc/15/41/93/135154193.db2.gz MQXPNUCEMJRQNO-BBBLOLIVSA-N 2 0 200.351 1.019 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CCC2(CO)CC2)[C@H](C)C1 ZINC000449580416 388237378 /nfs/dbraw/zinc/23/73/78/388237378.db2.gz QDZYOAYWARZGPI-OLZOCXBDSA-N 2 0 240.391 1.469 20 0 BDADRP CC[C@@H]([NH3+])CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000449608679 388241885 /nfs/dbraw/zinc/24/18/85/388241885.db2.gz JLAVEMLFPQGZMA-VXGBXAGGSA-N 2 0 241.379 1.104 20 0 BDADRP CCOCCC[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000164666089 388242369 /nfs/dbraw/zinc/24/23/69/388242369.db2.gz IUDIVEWDQBUNEU-VXGBXAGGSA-N 2 0 214.353 1.330 20 0 BDADRP C([C@H]1CC[NH2+]C1)[N@@H+]1CCCC2(CC2)CC1 ZINC000629585542 388283150 /nfs/dbraw/zinc/28/31/50/388283150.db2.gz BLJSMBIZOWYRFA-LBPRGKRZSA-N 2 0 208.349 1.862 20 0 BDADRP CC[C@@H]1C[C@@H](C[NH2+]C[C@H](C)C[NH+](C)C)CCO1 ZINC000491572112 388304597 /nfs/dbraw/zinc/30/45/97/388304597.db2.gz LDUGUTSJASVXIP-MELADBBJSA-N 2 0 242.407 1.979 20 0 BDADRP C[C@@]1(F)CCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261528754 135154605 /nfs/dbraw/zinc/15/46/05/135154605.db2.gz VZXFHDHCZSYDRT-WDEREUQCSA-N 2 0 200.301 1.420 20 0 BDADRP COC[C@@H](C)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000163540802 388364422 /nfs/dbraw/zinc/36/44/22/388364422.db2.gz GDFAZGAUGUMLHW-NWDGAFQWSA-N 2 0 214.353 1.472 20 0 BDADRP C[C@H](CNc1ncnc(N)c1Cl)[NH+](C)C ZINC000235449874 388369096 /nfs/dbraw/zinc/36/90/96/388369096.db2.gz ZFIALEGBQFMXGB-ZCFIWIBFSA-N 2 0 229.715 1.074 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)[C@@H]2CCOC2)C1 ZINC000164060035 388373854 /nfs/dbraw/zinc/37/38/54/388373854.db2.gz HFMARUPKSYSHEC-MELADBBJSA-N 2 0 240.391 1.731 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC1(C2CC2)CC1 ZINC000236216474 388378528 /nfs/dbraw/zinc/37/85/28/388378528.db2.gz PGPCVGYIHMNPRY-CMPLNLGQSA-N 2 0 208.349 1.894 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(C[NH3+])c1 ZINC000646578993 388388932 /nfs/dbraw/zinc/38/89/32/388388932.db2.gz MVWDSPPJISVZNJ-JOYOIKCWSA-N 2 0 233.315 1.082 20 0 BDADRP C[C@@]1(C(=O)Nc2cccc(C[NH3+])c2)CC[NH2+]C1 ZINC000646578895 388389227 /nfs/dbraw/zinc/38/92/27/388389227.db2.gz IVWZWHOJQZVVHS-CYBMUJFWSA-N 2 0 233.315 1.083 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)C[C@@H](C)[NH3+])c1 ZINC000646626379 388397349 /nfs/dbraw/zinc/39/73/49/388397349.db2.gz OIFGPHCJXSTVQI-SECBINFHSA-N 2 0 221.304 1.082 20 0 BDADRP COc1cccc([C@@H](C)[NH2+]CCOCC[NH3+])c1 ZINC000572966722 388400194 /nfs/dbraw/zinc/40/01/94/388400194.db2.gz FKFSKMAINGYQIK-LLVKDONJSA-N 2 0 238.331 1.321 20 0 BDADRP Nc1ncc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)s1 ZINC000515383712 256743579 /nfs/dbraw/zinc/74/35/79/256743579.db2.gz UEIOQRNZODBDIL-IUCAKERBSA-N 2 0 240.376 1.163 20 0 BDADRP CC(C)CCOCC[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000405315205 388458717 /nfs/dbraw/zinc/45/87/17/388458717.db2.gz OYJSJGZANMMTTF-RYUDHWBXSA-N 2 0 228.380 1.765 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCOC2)[C@H](C)C1 ZINC000309633587 388459866 /nfs/dbraw/zinc/45/98/66/388459866.db2.gz IQCAWIRCGCJZGF-FRRDWIJNSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCN2CCCC[C@H]12 ZINC000336722195 388469355 /nfs/dbraw/zinc/46/93/55/388469355.db2.gz STUSRHCUKPBNMU-MGPQQGTHSA-N 3 0 239.407 1.720 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000166363877 388426787 /nfs/dbraw/zinc/42/67/87/388426787.db2.gz BKOLJGLGUGIYEB-VXGBXAGGSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]Cc1nn(C)cc1Cl ZINC000393400296 388428558 /nfs/dbraw/zinc/42/85/58/388428558.db2.gz GBDZZVWKGXZBRL-SECBINFHSA-N 2 0 244.770 1.681 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000404837762 388436337 /nfs/dbraw/zinc/43/63/37/388436337.db2.gz ASKNTAAGZFPOMS-LNFKQOIKSA-N 2 0 212.337 1.127 20 0 BDADRP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000393694717 388438022 /nfs/dbraw/zinc/43/80/22/388438022.db2.gz OFBZNYAXEMFYFG-SDDRHHMPSA-N 2 0 228.380 1.501 20 0 BDADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)C1CCCC1 ZINC000354404554 388543856 /nfs/dbraw/zinc/54/38/56/388543856.db2.gz IUDPHARDLXVSIF-LBPRGKRZSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCCN1C)[C@]1(C)CCCO1 ZINC000340201456 388488794 /nfs/dbraw/zinc/48/87/94/388488794.db2.gz LFOLOEPMTNFCQT-AVGNSLFASA-N 2 0 226.364 1.628 20 0 BDADRP C[C@H](F)CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000340467031 388490867 /nfs/dbraw/zinc/49/08/67/388490867.db2.gz NWNVTRXLRWMESY-TUAOUCFPSA-N 2 0 214.328 1.951 20 0 BDADRP C[C@H](F)CC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000340463453 388491178 /nfs/dbraw/zinc/49/11/78/388491178.db2.gz QMYPWEVSDIGQRO-GARJFASQSA-N 2 0 202.317 1.664 20 0 BDADRP CC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)C(C)(C)O ZINC000340501251 388491715 /nfs/dbraw/zinc/49/17/15/388491715.db2.gz IVCOQZFFRGSEIT-ZDUSSCGKSA-N 2 0 242.407 1.998 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)CCO)[C@H](C)C1 ZINC000178163213 388496452 /nfs/dbraw/zinc/49/64/52/388496452.db2.gz PHDOKFSHFSXMJX-OLZOCXBDSA-N 2 0 242.407 1.715 20 0 BDADRP CCC[C@H](C[NH2+][C@H](C)CCC[NH3+])OC ZINC000356338705 388548915 /nfs/dbraw/zinc/54/89/15/388548915.db2.gz JLLVBTLHBIRYHZ-GHMZBOCLSA-N 2 0 202.342 1.519 20 0 BDADRP C[C@@H]([NH3+])CC(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000646789384 388504747 /nfs/dbraw/zinc/50/47/47/388504747.db2.gz DUJSAAIJQNGRDU-BDAKNGLRSA-N 2 0 221.304 1.382 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CSC[C@@H]1C ZINC000397986553 388513086 /nfs/dbraw/zinc/51/30/86/388513086.db2.gz MRYKGCOTKFSGNP-HBNTYKKESA-N 2 0 216.394 1.845 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CSC[C@@H]1C ZINC000397986545 388514056 /nfs/dbraw/zinc/51/40/56/388514056.db2.gz MRYKGCOTKFSGNP-AXFHLTTASA-N 2 0 216.394 1.845 20 0 BDADRP C[N@@H+]1CCC[C@H](CN[C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000516861237 388521188 /nfs/dbraw/zinc/52/11/88/388521188.db2.gz CPCDAJXHDSDBES-MGPQQGTHSA-N 3 0 239.407 1.578 20 0 BDADRP C(C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)OCC1CC1 ZINC000517937498 388599040 /nfs/dbraw/zinc/59/90/40/388599040.db2.gz UXEHLXNSAYBPDH-AWEZNQCLSA-N 2 0 238.375 1.489 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](OC)C(C)C ZINC000362974774 388561720 /nfs/dbraw/zinc/56/17/20/388561720.db2.gz BVHWOMWBFCEFLP-NWDGAFQWSA-N 2 0 232.368 1.001 20 0 BDADRP CC[C@@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000367615121 388566576 /nfs/dbraw/zinc/56/65/76/388566576.db2.gz JXQJRZLVWVEMIZ-LOWDOPEQSA-N 2 0 226.364 1.220 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000224612351 388667301 /nfs/dbraw/zinc/66/73/01/388667301.db2.gz HCCVTANQQGPIPG-MNOVXSKESA-N 2 0 228.405 1.799 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](C[C@H]2CCSC2)CC1 ZINC000224612500 388667507 /nfs/dbraw/zinc/66/75/07/388667507.db2.gz HCCVTANQQGPIPG-WDEREUQCSA-N 2 0 228.405 1.799 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[C@@H]2O)CC[N@@H+]1C ZINC000247957834 388672226 /nfs/dbraw/zinc/67/22/26/388672226.db2.gz FVDNQNUPZUIZCM-SYQHCUMBSA-N 2 0 240.391 1.610 20 0 BDADRP COCC(C)(C)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261547158 135239904 /nfs/dbraw/zinc/23/99/04/135239904.db2.gz LYIHMQSUQGBYHF-LBPRGKRZSA-N 2 0 214.353 1.330 20 0 BDADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](C)OC)C1 ZINC000248418145 388678877 /nfs/dbraw/zinc/67/88/77/388678877.db2.gz KDEOJENJJJVKTD-STQMWFEESA-N 2 0 228.380 1.685 20 0 BDADRP CCN1CC[C@H]([NH2+][C@H](C)C[S@@](C)=O)[C@@H](C)C1 ZINC000248443738 388679789 /nfs/dbraw/zinc/67/97/89/388679789.db2.gz BFEYKUZOITUWDF-MEQWQQMJSA-N 2 0 246.420 1.073 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000530178817 388621816 /nfs/dbraw/zinc/62/18/16/388621816.db2.gz OBCCBQVVVNSLAT-XBFCOCLRSA-N 2 0 249.402 1.343 20 0 BDADRP O[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000328344909 388625733 /nfs/dbraw/zinc/62/57/33/388625733.db2.gz LWIRWLIWONEWIF-AAVRWANBSA-N 2 0 238.375 1.079 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC[C@H]1CCCOC1 ZINC000530209508 388627525 /nfs/dbraw/zinc/62/75/25/388627525.db2.gz IHGSWZYHRBWPAF-MCIONIFRSA-N 2 0 240.391 1.781 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000530217271 388629860 /nfs/dbraw/zinc/62/98/60/388629860.db2.gz SKNQDARMDPSFMA-XQQFMLRXSA-N 2 0 237.391 1.378 20 0 BDADRP C[C@@H]([NH2+]C[C@@H](C)c1ccncc1)C1C[NH2+]C1 ZINC000530218687 388631895 /nfs/dbraw/zinc/63/18/95/388631895.db2.gz GRSSDLBHNFOFBG-GHMZBOCLSA-N 2 0 219.332 1.383 20 0 BDADRP C[C@H](N[C@@H](C)[C@H]1CC[NH2+]C1)c1ncccc1F ZINC000530221486 388632615 /nfs/dbraw/zinc/63/26/15/388632615.db2.gz DYZTWPASKUUGKG-DCAQKATOSA-N 2 0 237.322 1.869 20 0 BDADRP C[C@@H](N[C@@H](C)c1ncccc1F)[C@@H]1CC[NH2+]C1 ZINC000530221488 388633245 /nfs/dbraw/zinc/63/32/45/388633245.db2.gz DYZTWPASKUUGKG-OUAUKWLOSA-N 2 0 237.322 1.869 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC12CC(C1)CO2 ZINC000530223336 388633593 /nfs/dbraw/zinc/63/35/93/388633593.db2.gz UEQKJKSZGWVUOK-IGJPJIBNSA-N 2 0 224.348 1.143 20 0 BDADRP Cc1ncccc1C[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC000530244783 388639215 /nfs/dbraw/zinc/63/92/15/388639215.db2.gz OJYYEEMRDKSUMI-CYBMUJFWSA-N 2 0 219.332 1.479 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCO1 ZINC000251384338 388643434 /nfs/dbraw/zinc/64/34/34/388643434.db2.gz QHZLLDGSUBSZRG-QJPTWQEYSA-N 2 0 212.337 1.273 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000223423353 388652025 /nfs/dbraw/zinc/65/20/25/388652025.db2.gz RPXNLRUFPYNCMS-FPMFFAJLSA-N 2 0 242.407 1.856 20 0 BDADRP c1cn(CC[NH2+]C[C@H]2CCSC2)cn1 ZINC000224399473 388664420 /nfs/dbraw/zinc/66/44/20/388664420.db2.gz RWHMROYNIPRLTM-SNVBAGLBSA-N 2 0 211.334 1.226 20 0 BDADRP CC[C@H](O)CC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000128132339 388738912 /nfs/dbraw/zinc/73/89/12/388738912.db2.gz QXBIWPIMCXRVQO-UTUOFQBUSA-N 2 0 214.353 1.220 20 0 BDADRP CC[NH+](CC)CCN[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000128184935 388739640 /nfs/dbraw/zinc/73/96/40/388739640.db2.gz MXMFYHINECXIKU-OLZOCXBDSA-N 2 0 239.407 1.543 20 0 BDADRP Clc1ccc(CCN[C@@H]2CC[NH2+]C2)s1 ZINC000226356575 388716102 /nfs/dbraw/zinc/71/61/02/388716102.db2.gz GGJLFWPZNIGMSE-MRVPVSSYSA-N 2 0 230.764 1.896 20 0 BDADRP O[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000253233065 388809847 /nfs/dbraw/zinc/80/98/47/388809847.db2.gz LQGUNSNPUSZUJB-RFGFWPKPSA-N 2 0 238.375 1.506 20 0 BDADRP CCOC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000230062685 388811783 /nfs/dbraw/zinc/81/17/83/388811783.db2.gz UXCBOZMQNSOWME-OLZOCXBDSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000252678846 388770514 /nfs/dbraw/zinc/77/05/14/388770514.db2.gz VFMBYQQIMFAFKW-PEBLQZBPSA-N 2 0 240.391 1.466 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252703208 388771273 /nfs/dbraw/zinc/77/12/73/388771273.db2.gz KQFXAKGHKYXZFF-RWMBFGLXSA-N 2 0 226.364 1.220 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCC(F)(F)F ZINC000252713148 388773541 /nfs/dbraw/zinc/77/35/41/388773541.db2.gz OLVGMQRJMPQBKO-RKDXNWHRSA-N 2 0 224.270 1.869 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](NCC[NH+]2CCCCCC2)C1 ZINC000093215399 388829364 /nfs/dbraw/zinc/82/93/64/388829364.db2.gz XDJQVXFXPYHIKP-KGLIPLIRSA-N 3 0 239.407 1.722 20 0 BDADRP CCOCCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129460489 388844721 /nfs/dbraw/zinc/84/47/21/388844721.db2.gz VWVQUVDJXWYFRJ-NEPJUHHUSA-N 2 0 214.353 1.485 20 0 BDADRP C[C@H]1C[C@@H](NCCC[NH+](C)C)CC[N@@H+]1C ZINC000129553949 388851811 /nfs/dbraw/zinc/85/18/11/388851811.db2.gz XSCJRQGGNYXKLC-RYUDHWBXSA-N 2 0 213.369 1.010 20 0 BDADRP C[C@@H]1C[C@@H](NC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000093978070 388857079 /nfs/dbraw/zinc/85/70/79/388857079.db2.gz AHOYTSCOKMUKDO-YPMHNXCESA-N 2 0 225.380 1.153 20 0 BDADRP C[C@@H]([NH3+])CCC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000193324710 388849976 /nfs/dbraw/zinc/84/99/76/388849976.db2.gz YYIYAIZPDRTDNI-SNVBAGLBSA-N 2 0 247.342 1.033 20 0 BDADRP CC[NH+](CC)CCN[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000152790037 388882315 /nfs/dbraw/zinc/88/23/15/388882315.db2.gz KUMZSUXRKHXCQF-KGLIPLIRSA-N 2 0 241.423 1.648 20 0 BDADRP CC(C)([NH3+])C[NH2+]CCc1cn2ccccc2n1 ZINC000564970778 388903840 /nfs/dbraw/zinc/90/38/40/388903840.db2.gz NIYISPWNOPUKJI-UHFFFAOYSA-N 2 0 232.331 1.204 20 0 BDADRP COC[C@@H](C)C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000564973728 388903773 /nfs/dbraw/zinc/90/37/73/388903773.db2.gz PRTKTHZVTNZKTJ-NSHDSACASA-N 2 0 222.332 1.517 20 0 BDADRP C[NH+](C)Cc1ccccc1C(=O)NCCCC[NH3+] ZINC000565717044 388964408 /nfs/dbraw/zinc/96/44/08/388964408.db2.gz PQURZKDHKBHBLQ-UHFFFAOYSA-N 2 0 249.358 1.217 20 0 BDADRP F[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000565480323 388949062 /nfs/dbraw/zinc/94/90/62/388949062.db2.gz CMVYSTMYFXBJRF-GRYCIOLGSA-N 2 0 214.328 1.999 20 0 BDADRP Cc1n[nH]cc1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000566056319 388985691 /nfs/dbraw/zinc/98/56/91/388985691.db2.gz OVPICGCFKXOFJL-QWHCGFSZSA-N 2 0 234.347 1.196 20 0 BDADRP C[C@@H]1CC([NH2+][C@@H]2CC[NH2+]CC[C@H]2C)C[C@@H](C)O1 ZINC000566090655 388987233 /nfs/dbraw/zinc/98/72/33/388987233.db2.gz HHKCRRHXFFXRJQ-HKUMRIAESA-N 2 0 240.391 1.920 20 0 BDADRP Cc1ncc(C[NH2+]CC2=CC[N@H+](C)CC2)s1 ZINC000271791299 389026016 /nfs/dbraw/zinc/02/60/16/389026016.db2.gz GRCKRVKOSTXJHE-UHFFFAOYSA-N 2 0 237.372 1.803 20 0 BDADRP C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)[C@@H]1CCCCO1 ZINC000257742543 533364417 /nfs/dbraw/zinc/36/44/17/533364417.db2.gz ZDVHIDJLPDZWOM-UONOGXRCSA-N 2 0 238.375 1.631 20 0 BDADRP C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)[C@@H]1CCCO1 ZINC000261596881 533365737 /nfs/dbraw/zinc/36/57/37/533365737.db2.gz ZAWUGJVUASMIOZ-QWHCGFSZSA-N 2 0 224.348 1.241 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CCC2(C1)CCOCC2 ZINC000261562012 533375586 /nfs/dbraw/zinc/37/55/86/533375586.db2.gz VXOBSVIHGCDIPA-CYBMUJFWSA-N 2 0 238.375 1.489 20 0 BDADRP C[C@@H]([NH2+]C[C@@H](C)C[C@H](C)O)[C@@H]1CCC[NH2+]1 ZINC000400464440 533409126 /nfs/dbraw/zinc/40/91/26/533409126.db2.gz VQFJWXLPVWJUJJ-YFKTTZPYSA-N 2 0 214.353 1.124 20 0 BDADRP Cc1cc(N2CC[NH+](CC3CC3)CC2)cc[nH+]1 ZINC000274355084 132202865 /nfs/dbraw/zinc/20/28/65/132202865.db2.gz LSJDAGPNWQMDRC-UHFFFAOYSA-N 2 0 231.343 1.922 20 0 BDADRP Cc1cc(N2CCC([NH+](C)C)CC2)cc[nH+]1 ZINC000302210145 132261818 /nfs/dbraw/zinc/26/18/18/132261818.db2.gz CINNJWYLHZHTJN-UHFFFAOYSA-N 2 0 219.332 1.920 20 0 BDADRP Cc1c[nH+]ccc1N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000227049970 132440540 /nfs/dbraw/zinc/44/05/40/132440540.db2.gz URUCAJQXHXWWAV-RYUDHWBXSA-N 2 0 219.332 1.954 20 0 BDADRP Cc1cc(N2CCC([C@@H](C)[NH3+])CC2)cc[nH+]1 ZINC000229518316 132442116 /nfs/dbraw/zinc/44/21/16/132442116.db2.gz XRPRITAXFDIGGF-LLVKDONJSA-N 2 0 219.332 1.954 20 0 BDADRP COc1ccc(C[NH2+]CCCC[NH+](C)C)cn1 ZINC000158102800 133497870 /nfs/dbraw/zinc/49/78/70/133497870.db2.gz VSNCTEXICKCPTI-UHFFFAOYSA-N 2 0 237.347 1.522 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C2CCC(O)CC2)C1 ZINC000335942955 134018177 /nfs/dbraw/zinc/01/81/77/134018177.db2.gz UQJHZRCLMFYFMM-YIFLHPOLSA-N 2 0 240.391 1.752 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc(N)c2)C1 ZINC000335964113 134027849 /nfs/dbraw/zinc/02/78/49/134027849.db2.gz QUZSZADBNGOKGV-JQWIXIFHSA-N 2 0 219.332 1.438 20 0 BDADRP C[N@@H+]1CC[C@@]2(CCN(Cc3ccc(F)cn3)C2)C1 ZINC000336125039 134092591 /nfs/dbraw/zinc/09/25/91/134092591.db2.gz UMEJSMXQIZZPRN-CQSZACIVSA-N 2 0 249.333 1.748 20 0 BDADRP CC[N@H+](CC[C@@H]1CCC[NH+]1C)C[C@H](C)O ZINC000352203206 134102678 /nfs/dbraw/zinc/10/26/78/134102678.db2.gz PYECPSNHHZGBTR-RYUDHWBXSA-N 2 0 214.353 1.173 20 0 BDADRP CN(C)c1ccccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000336204499 134131483 /nfs/dbraw/zinc/13/14/83/134131483.db2.gz MBWDZDWUJXKZMG-OKILXGFUSA-N 2 0 245.370 1.404 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc(O)c2)C1 ZINC000168511704 134225271 /nfs/dbraw/zinc/22/52/71/134225271.db2.gz CGBNBFZGKPAGSI-ZYHUDNBSSA-N 2 0 220.316 1.561 20 0 BDADRP C[C@@H](O)C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000169237547 134250138 /nfs/dbraw/zinc/25/01/38/134250138.db2.gz USSFRRDPOWPLCP-JFUSQASVSA-N 2 0 206.289 1.102 20 0 BDADRP C[C@@H]1CCC[C@@H](C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000085282116 134274879 /nfs/dbraw/zinc/27/48/79/134274879.db2.gz USOUBFKDIALJKA-SYQHCUMBSA-N 2 0 222.376 1.964 20 0 BDADRP COC[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000173786803 134277696 /nfs/dbraw/zinc/27/76/96/134277696.db2.gz BBHBRXFIWVQHJE-QWHCGFSZSA-N 2 0 226.364 1.439 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H]2CCCC[NH2+]2)cc1 ZINC000178219171 134305122 /nfs/dbraw/zinc/30/51/22/134305122.db2.gz QHDVBNCFAPSIGJ-MFKMUULPSA-N 2 0 247.342 1.787 20 0 BDADRP Cc1ccc(F)c(C[NH2+][C@H](C)CC[NH3+])c1 ZINC000220488250 134305311 /nfs/dbraw/zinc/30/53/11/134305311.db2.gz XWSBCFQJCUAYBL-SNVBAGLBSA-N 2 0 210.296 1.961 20 0 BDADRP C[C@@H](CC[NH3+])[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000220489775 134305355 /nfs/dbraw/zinc/30/53/55/134305355.db2.gz SCHVCAIEDIEYTA-ZETCQYMHSA-N 2 0 232.249 1.931 20 0 BDADRP CC[C@](C)(CCO)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000220390266 134306591 /nfs/dbraw/zinc/30/65/91/134306591.db2.gz LAHGVJFWPFSMAO-VXGBXAGGSA-N 2 0 214.353 1.127 20 0 BDADRP COC1CC([NH2+]CCCC[NH+](C)C)C1 ZINC000220902961 134315238 /nfs/dbraw/zinc/31/52/38/134315238.db2.gz SMMWAXYBAZKHBU-UHFFFAOYSA-N 2 0 200.326 1.095 20 0 BDADRP C[C@H](O)CCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000220958116 134315241 /nfs/dbraw/zinc/31/52/41/134315241.db2.gz MQCHQAIYIHSWMU-MELADBBJSA-N 2 0 240.391 1.564 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000222534848 134332637 /nfs/dbraw/zinc/33/26/37/134332637.db2.gz BFEBXNJHRLCPOD-BFHYXJOUSA-N 2 0 240.391 1.611 20 0 BDADRP CC[C@@H](O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000183871902 134356849 /nfs/dbraw/zinc/35/68/49/134356849.db2.gz CTQWRCHOOQOOKN-PSEXLTFBSA-N 2 0 226.364 1.362 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)CCO1 ZINC000227328734 134378223 /nfs/dbraw/zinc/37/82/23/134378223.db2.gz NKUCSMXLLAJPDX-STQMWFEESA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)CCO1 ZINC000227328743 134378234 /nfs/dbraw/zinc/37/82/34/134378234.db2.gz NKUCSMXLLAJPDX-CHWSQXEVSA-N 2 0 240.391 1.875 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000230483907 134506112 /nfs/dbraw/zinc/50/61/12/134506112.db2.gz DBAZOTKVHURXEQ-FPMFFAJLSA-N 2 0 242.407 1.904 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CC1(SC)CCC1 ZINC000234780289 134583528 /nfs/dbraw/zinc/58/35/28/134583528.db2.gz KQBKDUPFMPZACN-NSHDSACASA-N 2 0 246.420 1.616 20 0 BDADRP CC[C@H](COC)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000070656619 135005046 /nfs/dbraw/zinc/00/50/46/135005046.db2.gz QANLJWLTTJVSAC-NWDGAFQWSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000249132926 135035308 /nfs/dbraw/zinc/03/53/08/135035308.db2.gz MEBWZHRODJBBNR-BNDIWNMDSA-N 2 0 240.391 1.464 20 0 BDADRP CC[N@H+](C)CCN[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000250087512 135049491 /nfs/dbraw/zinc/04/94/91/135049491.db2.gz VYFCIXVTBBAKCF-STQMWFEESA-N 2 0 225.380 1.155 20 0 BDADRP CCC(O)(CC)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000250786259 135059030 /nfs/dbraw/zinc/05/90/30/135059030.db2.gz WPIKJIZKDZGHRN-FRRDWIJNSA-N 2 0 242.407 1.856 20 0 BDADRP Cc1nccn1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250842331 135059948 /nfs/dbraw/zinc/05/99/48/135059948.db2.gz VMIRXLGNDBKONX-KGLIPLIRSA-N 2 0 248.374 1.408 20 0 BDADRP [NH3+]CCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000250830243 135060079 /nfs/dbraw/zinc/06/00/79/135060079.db2.gz ITWKJRLLQNGQDL-MGPQQGTHSA-N 3 0 239.407 1.626 20 0 BDADRP C[C@H](CCO)[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000251177960 135065043 /nfs/dbraw/zinc/06/50/43/135065043.db2.gz GPGGIUXHDOHASW-MROQNXINSA-N 2 0 226.364 1.268 20 0 BDADRP CC(C)CCOCC[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251712796 135075972 /nfs/dbraw/zinc/07/59/72/135075972.db2.gz JNDJICDSFUGCLY-CHWSQXEVSA-N 2 0 228.380 1.718 20 0 BDADRP C[C@H]1CCC[C@H]([N@H+](C)CCOCC[NH3+])C1 ZINC000086435503 135084182 /nfs/dbraw/zinc/08/41/82/135084182.db2.gz PBPHZUXDUMNFRF-RYUDHWBXSA-N 2 0 214.353 1.472 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000086435604 135084879 /nfs/dbraw/zinc/08/48/79/135084879.db2.gz DVBDTKYGNLKXDM-CYBMUJFWSA-N 2 0 226.364 1.616 20 0 BDADRP C[C@H](CCO)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000252511889 135092131 /nfs/dbraw/zinc/09/21/31/135092131.db2.gz HSPHTYATIMKAGK-FDYHWXHSSA-N 2 0 228.380 1.323 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)[C@H]1CCCO1 ZINC000086700385 135095630 /nfs/dbraw/zinc/09/56/30/135095630.db2.gz SBNAMQBQGNEXLV-ZYHUDNBSSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCOC1 ZINC000252709510 135099073 /nfs/dbraw/zinc/09/90/73/135099073.db2.gz DBNRQVQADPTEBZ-DGAVXFQQSA-N 2 0 238.375 1.628 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000252713192 135100012 /nfs/dbraw/zinc/10/00/12/135100012.db2.gz OOMSTKVRJUOSMP-IJLUTSLNSA-N 2 0 226.364 1.484 20 0 BDADRP CC(C)OCC[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000086886970 135100224 /nfs/dbraw/zinc/10/02/24/135100224.db2.gz BMIQDNYLZYSYMO-QWRGUYRKSA-N 2 0 200.326 1.081 20 0 BDADRP CCOC1CC([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000252741070 135105476 /nfs/dbraw/zinc/10/54/76/135105476.db2.gz KSEZDVZKHZGETA-ZIHBUVQPSA-N 2 0 238.375 1.770 20 0 BDADRP CCN(C)c1ccc(CN2CCC[NH2+]CC2)cn1 ZINC000261947629 135113498 /nfs/dbraw/zinc/11/34/98/135113498.db2.gz NKNOERYQMRUUNT-UHFFFAOYSA-N 2 0 248.374 1.333 20 0 BDADRP C[C@@]1(C[NH2+]C[C@@]2(C)CCCO2)CC[NH2+]C1 ZINC000087255595 135115539 /nfs/dbraw/zinc/11/55/39/135115539.db2.gz RVNBPJFBTPZFFR-VXGBXAGGSA-N 2 0 212.337 1.145 20 0 BDADRP C[C@H]1C[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000252959044 135117985 /nfs/dbraw/zinc/11/79/85/135117985.db2.gz LRUYEFBXEIFNMJ-GJHMDTBVSA-N 2 0 208.349 1.857 20 0 BDADRP CC[C@H](CCO)[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000253018405 135119418 /nfs/dbraw/zinc/11/94/18/135119418.db2.gz IMPKYDGEUWTFCP-XJFOESAGSA-N 2 0 240.391 1.658 20 0 BDADRP CCC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000253014087 135119586 /nfs/dbraw/zinc/11/95/86/135119586.db2.gz FSTVYYBAOIGCSS-SDDRHHMPSA-N 2 0 214.353 1.255 20 0 BDADRP Cc1ccsc1C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000087309885 135122750 /nfs/dbraw/zinc/12/27/50/135122750.db2.gz OISSMFQPISQJQJ-SNVBAGLBSA-N 2 0 210.346 1.756 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)CC[C@H]1O ZINC000253176300 135123083 /nfs/dbraw/zinc/12/30/83/135123083.db2.gz FZFDCGUSCCKSTC-MGPQQGTHSA-N 2 0 240.391 1.564 20 0 BDADRP Cc1ccc(C[N@H+](C)C[C@H](O)C[NH3+])cc1C ZINC000258769317 135133827 /nfs/dbraw/zinc/13/38/27/135133827.db2.gz AWADEYXLKUBMJU-CYBMUJFWSA-N 2 0 222.332 1.055 20 0 BDADRP C([C@@H]1CCOC1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257679183 135139368 /nfs/dbraw/zinc/13/93/68/135139368.db2.gz KPOUPBNYBNNJLX-LBPRGKRZSA-N 2 0 224.348 1.098 20 0 BDADRP Cc1n[nH]c(C)c1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000257690058 135139459 /nfs/dbraw/zinc/13/94/59/135139459.db2.gz NGIGEZZJLVCONO-UHFFFAOYSA-N 2 0 248.374 1.602 20 0 BDADRP C(C1CCOCC1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257707136 135139947 /nfs/dbraw/zinc/13/99/47/135139947.db2.gz RNTXQRSDGFZWQC-CQSZACIVSA-N 2 0 238.375 1.489 20 0 BDADRP C([C@@H]1CCSC1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000257737256 135140681 /nfs/dbraw/zinc/14/06/81/135140681.db2.gz YHYBNWNUESGION-LBPRGKRZSA-N 2 0 240.416 1.815 20 0 BDADRP C([C@@H]1CCCOC1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257713850 135141045 /nfs/dbraw/zinc/14/10/45/135141045.db2.gz UGRRRVTWYZXGQE-KBPBESRZSA-N 2 0 238.375 1.489 20 0 BDADRP C[NH2+]CCCN(C)Cc1nc(C)ccc1O ZINC000087472289 135142853 /nfs/dbraw/zinc/14/28/53/135142853.db2.gz XLXXZJZIIRXQFI-UHFFFAOYSA-N 2 0 223.320 1.137 20 0 BDADRP C[C@@]1(F)CCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000261528751 135154474 /nfs/dbraw/zinc/15/44/74/135154474.db2.gz VZXFHDHCZSYDRT-GHMZBOCLSA-N 2 0 200.301 1.420 20 0 BDADRP C[C@@]1(C[NH3+])CCN(Cc2cscn2)C1 ZINC000261529104 135155275 /nfs/dbraw/zinc/15/52/75/135155275.db2.gz PCJVJOJIDGGNQE-JTQLQIEISA-N 2 0 211.334 1.314 20 0 BDADRP C[C@@H]1[C@@H](c2ccccc2)CCN1CC[NH3+] ZINC000261531089 135158695 /nfs/dbraw/zinc/15/86/95/135158695.db2.gz FDNUJEZXVOEUGO-YPMHNXCESA-N 2 0 204.317 1.823 20 0 BDADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccsc3)C[C@H]12 ZINC000261531458 135159742 /nfs/dbraw/zinc/15/97/42/135159742.db2.gz GOSNKUFOSOYWGI-SDDRHHMPSA-N 2 0 222.357 1.917 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)[C@H]1CCCO1 ZINC000087646255 135161135 /nfs/dbraw/zinc/16/11/35/135161135.db2.gz TZMGSMIXXJDWHF-QJPTWQEYSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@H]2CCOC2)CC[C@H]1[NH3+] ZINC000261532134 135162363 /nfs/dbraw/zinc/16/23/63/135162363.db2.gz JHCGBMNTONWLLS-GRYCIOLGSA-N 2 0 212.337 1.082 20 0 BDADRP CC[C@H]1C[C@H](C)C[N@@H+]1CCOCC[NH3+] ZINC000261532132 135162619 /nfs/dbraw/zinc/16/26/19/135162619.db2.gz JGWGEBSUFODTCK-QWRGUYRKSA-N 2 0 200.326 1.082 20 0 BDADRP CO[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000261533648 135164835 /nfs/dbraw/zinc/16/48/35/135164835.db2.gz JCWFGZBISMHGNK-FRRDWIJNSA-N 2 0 226.364 1.485 20 0 BDADRP CO[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000261533649 135165041 /nfs/dbraw/zinc/16/50/41/135165041.db2.gz JCWFGZBISMHGNK-JHJVBQTASA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCCO[C@H](C)C2)CC[NH2+]1 ZINC000261534563 135167887 /nfs/dbraw/zinc/16/78/87/135167887.db2.gz SDLUWYFBUCDSIH-JHJVBQTASA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@H](C)OC[C@H]2C)CC[NH2+]1 ZINC000261535034 135168419 /nfs/dbraw/zinc/16/84/19/135168419.db2.gz VZHXFYDLZVSCJQ-FVCCEPFGSA-N 2 0 226.364 1.484 20 0 BDADRP c1csc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261535697 135170766 /nfs/dbraw/zinc/17/07/66/135170766.db2.gz PBIOFFALZDHCPV-QWRGUYRKSA-N 2 0 222.357 1.789 20 0 BDADRP C[C@H]([N@H+](C)CCOCC[NH3+])C1(C)CC1 ZINC000261536019 135171590 /nfs/dbraw/zinc/17/15/90/135171590.db2.gz QBXQSUKCCSHATI-JTQLQIEISA-N 2 0 200.326 1.082 20 0 BDADRP COCC(C)(C)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000261538045 135175421 /nfs/dbraw/zinc/17/54/21/135175421.db2.gz XGSBIOFQTSSAKU-QWRGUYRKSA-N 2 0 214.353 1.328 20 0 BDADRP CCS[C@@H]1CC[C@@H]([N@H+](C)C[C@H](C)[NH3+])C1 ZINC000261538541 135176751 /nfs/dbraw/zinc/17/67/51/135176751.db2.gz YMJFVABIZOGHOM-HBNTYKKESA-N 2 0 216.394 1.940 20 0 BDADRP C[N@H+](CC[C@@H]1CCOC1)C1CC[NH2+]CC1 ZINC000261540816 135180400 /nfs/dbraw/zinc/18/04/00/135180400.db2.gz FHHOLLNZXRDQSG-LLVKDONJSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@H](NCC[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261543716 135184675 /nfs/dbraw/zinc/18/46/75/135184675.db2.gz HZMMPLXADWNISX-DZGCQCFKSA-N 2 0 247.386 1.445 20 0 BDADRP CC[N@H+](C[C@@H]1CCCO1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261544127 135185339 /nfs/dbraw/zinc/18/53/39/135185339.db2.gz XAIQCHNTBQJXPS-MCIONIFRSA-N 2 0 240.391 1.875 20 0 BDADRP CO[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)[C@@H](C)C1 ZINC000261544744 135186302 /nfs/dbraw/zinc/18/63/02/135186302.db2.gz ZNGNEZAWEMGFMP-XJFOESAGSA-N 2 0 240.391 1.874 20 0 BDADRP Cc1cnn(CC[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000261549018 135187555 /nfs/dbraw/zinc/18/75/55/135187555.db2.gz KDHIASSEWPTDNB-CHWSQXEVSA-N 2 0 236.363 1.251 20 0 BDADRP Cc1ncsc1C[NH+]1CCC(C[NH3+])CC1 ZINC000084149506 135188341 /nfs/dbraw/zinc/18/83/41/135188341.db2.gz UHEBLLBPCSTBIS-UHFFFAOYSA-N 2 0 225.361 1.622 20 0 BDADRP CCC[NH+]1CCC(N[C@@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000261549285 135188664 /nfs/dbraw/zinc/18/86/64/135188664.db2.gz KIBDMJHXHMZNAV-TZMCWYRMSA-N 2 0 239.407 1.448 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccnc1 ZINC000084193922 135191234 /nfs/dbraw/zinc/19/12/34/135191234.db2.gz SUSLHZBVOQSJOM-RYUDHWBXSA-N 2 0 205.305 1.299 20 0 BDADRP COC[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000084216620 135192839 /nfs/dbraw/zinc/19/28/39/135192839.db2.gz HMSPJKQFWJVXSM-IJLUTSLNSA-N 2 0 214.353 1.376 20 0 BDADRP CCC1(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)CCOCC1 ZINC000261553253 135192975 /nfs/dbraw/zinc/19/29/75/135192975.db2.gz NRAOLTIZDGRUQR-OLZOCXBDSA-N 2 0 240.391 1.862 20 0 BDADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCc3cccnc3)C[C@@H]12 ZINC000261553891 135193458 /nfs/dbraw/zinc/19/34/58/135193458.db2.gz OKVXLMATTDHKSP-BFHYXJOUSA-N 2 0 231.343 1.293 20 0 BDADRP C[NH2+]CCC1CC[NH+](C[C@H]2C[C@H]2C)CC1 ZINC000261554814 135194544 /nfs/dbraw/zinc/19/45/44/135194544.db2.gz UQQXZKDVOBXCGQ-DGCLKSJQSA-N 2 0 210.365 1.964 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3F)C[C@@H]12 ZINC000261558078 135198579 /nfs/dbraw/zinc/19/85/79/135198579.db2.gz SGCLQFMCTRFHNB-MPKXVKKWSA-N 2 0 234.318 1.995 20 0 BDADRP C[C@]1(C[NH3+])CCN(Cc2cc(O)cc(F)c2)C1 ZINC000261558813 135199477 /nfs/dbraw/zinc/19/94/77/135199477.db2.gz SRMDXIXKBGKMJZ-CYBMUJFWSA-N 2 0 238.306 1.702 20 0 BDADRP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cn1 ZINC000261560168 135201157 /nfs/dbraw/zinc/20/11/57/135201157.db2.gz UGYPXYMGCCGBDF-MJBXVCDLSA-N 2 0 231.343 1.559 20 0 BDADRP Cc1ccncc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261560522 135201184 /nfs/dbraw/zinc/20/11/84/135201184.db2.gz UTAQLBJGYTWVCI-FPMFFAJLSA-N 2 0 231.343 1.559 20 0 BDADRP C[N@H+](CCOCC[NH3+])Cc1cc(F)cc(F)c1 ZINC000261561394 135202755 /nfs/dbraw/zinc/20/27/55/135202755.db2.gz VIOBTUCPPRRVFM-UHFFFAOYSA-N 2 0 244.285 1.372 20 0 BDADRP Oc1cccc(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261562188 135203689 /nfs/dbraw/zinc/20/36/89/135203689.db2.gz WATMDOKBIRQXSW-TZMCWYRMSA-N 2 0 232.327 1.576 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H](CO)C1 ZINC000261564135 135206037 /nfs/dbraw/zinc/20/60/37/135206037.db2.gz XNCGGGYEBSGQIF-FQUUOJAGSA-N 2 0 240.391 1.645 20 0 BDADRP COc1cccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000261564282 135206287 /nfs/dbraw/zinc/20/62/87/135206287.db2.gz HDYDETJVXIPETM-CFVMTHIKSA-N 2 0 246.354 1.864 20 0 BDADRP COCC1(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CCC1 ZINC000261565080 135206792 /nfs/dbraw/zinc/20/67/92/135206792.db2.gz YESHHEZOPFKLMZ-CHWSQXEVSA-N 2 0 240.391 1.910 20 0 BDADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cccc(O)c3)C[C@H]12 ZINC000261567425 135209468 /nfs/dbraw/zinc/20/94/68/135209468.db2.gz ZTJURKDUHLUGKG-FPMFFAJLSA-N 2 0 232.327 1.561 20 0 BDADRP C[C@H]1CCC[C@H](C)[N@H+](CCOCC[NH3+])C1 ZINC000261568391 135210514 /nfs/dbraw/zinc/21/05/14/135210514.db2.gz FNDRXXVXESOJGU-RYUDHWBXSA-N 2 0 214.353 1.472 20 0 BDADRP Cc1ncsc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000084385886 135217966 /nfs/dbraw/zinc/21/79/66/135217966.db2.gz GBCIPCCDNXNANS-JTQLQIEISA-N 2 0 225.361 1.541 20 0 BDADRP C[C@](O)(C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])C1CC1 ZINC000261583826 135225127 /nfs/dbraw/zinc/22/51/27/135225127.db2.gz PGLWWNBZONPZTA-WXHSDQCUSA-N 2 0 226.364 1.255 20 0 BDADRP Cc1c[nH+]ccc1N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261584892 135226401 /nfs/dbraw/zinc/22/64/01/135226401.db2.gz QDNXWVBQAFVUQL-NWDGAFQWSA-N 2 0 217.316 1.578 20 0 BDADRP CC(C)([NH3+])C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000261587652 135228748 /nfs/dbraw/zinc/22/87/48/135228748.db2.gz RXOHAPUIKWALKT-CYBMUJFWSA-N 2 0 218.344 1.871 20 0 BDADRP Cc1cc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)no1 ZINC000261590503 135231411 /nfs/dbraw/zinc/23/14/11/135231411.db2.gz UORPADIZIZKXNQ-WCQGTBRESA-N 2 0 221.304 1.152 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC000261547456 135240064 /nfs/dbraw/zinc/24/00/64/135240064.db2.gz ICVYYPDXWJUJMP-QWHCGFSZSA-N 2 0 240.391 1.923 20 0 BDADRP COCC(C)(C)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261547157 135240485 /nfs/dbraw/zinc/24/04/85/135240485.db2.gz LYIHMQSUQGBYHF-GFCCVEGCSA-N 2 0 214.353 1.330 20 0 BDADRP COC(=O)c1cccc(CN(C)[C@@H](C)C[NH3+])c1 ZINC000261648370 135242799 /nfs/dbraw/zinc/24/27/99/135242799.db2.gz AWHFEEWEYWETKU-JTQLQIEISA-N 2 0 236.315 1.252 20 0 BDADRP C[C@@H]1CN(C[C@H]2CCC[NH2+]C2)[C@@H](C)C[N@@H+]1C ZINC000261654259 135243013 /nfs/dbraw/zinc/24/30/13/135243013.db2.gz BGTBJKWNSHSIJM-AGIUHOORSA-N 2 0 225.380 1.010 20 0 BDADRP CCn1nc(C)c(CN2C[C@H](C)[C@H]([NH3+])C2)c1C ZINC000261679658 135245341 /nfs/dbraw/zinc/24/53/41/135245341.db2.gz AGTNCMJOVKRDFV-TVQRCGJNSA-N 2 0 236.363 1.299 20 0 BDADRP CC[C@]1(CO)CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261684111 135245958 /nfs/dbraw/zinc/24/59/58/135245958.db2.gz AFCQOLYDOUUFKG-KBPBESRZSA-N 2 0 240.391 1.471 20 0 BDADRP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1cccc(N)c1 ZINC000261740675 135249193 /nfs/dbraw/zinc/24/91/93/135249193.db2.gz UYSQVJFZDKDZRE-CYBMUJFWSA-N 2 0 221.348 1.732 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@H]12 ZINC000261751480 135250070 /nfs/dbraw/zinc/25/00/70/135250070.db2.gz CFEMUPDTNBXWJN-FVCCEPFGSA-N 2 0 224.348 1.082 20 0 BDADRP C[NH+](C)[C@@H]1CCCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000261775991 135252008 /nfs/dbraw/zinc/25/20/08/135252008.db2.gz FBKRDWNHVOSYDJ-UONOGXRCSA-N 2 0 239.407 1.402 20 0 BDADRP CCC[C@@]1(CO)CCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261811345 135254371 /nfs/dbraw/zinc/25/43/71/135254371.db2.gz HRIHHOKRPPIRET-KGLIPLIRSA-N 2 0 240.391 1.613 20 0 BDADRP COC[C@H]1CCCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261825207 135255810 /nfs/dbraw/zinc/25/58/10/135255810.db2.gz IPVDXDZERZZACS-KGLIPLIRSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@@H]([NH3+])CC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000261852146 135256947 /nfs/dbraw/zinc/25/69/47/135256947.db2.gz OVGGQTFKQMHTQX-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP CCC(CC)(C[NH3+])NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000261848935 135256989 /nfs/dbraw/zinc/25/69/89/135256989.db2.gz MNVVAWGLIZVMMA-NSHDSACASA-N 2 0 241.379 1.010 20 0 BDADRP CC[C@H]1C[C@H](C)CN1Cc1noc(CN)n1 ZINC000261861255 135258239 /nfs/dbraw/zinc/25/82/39/135258239.db2.gz WLKSKRMGVZFWBB-IUCAKERBSA-N 2 0 224.308 1.149 20 0 BDADRP C[C@@]1(C[N@@H+]2CCOCC3(CCC3)C2)CC[NH2+]C1 ZINC000261889467 135260008 /nfs/dbraw/zinc/26/00/08/135260008.db2.gz SPRCYDNVPOAROU-CYBMUJFWSA-N 2 0 238.375 1.489 20 0 BDADRP CCCN(C)Cc1nc(C2([NH3+])CCC2)no1 ZINC000261880790 135260102 /nfs/dbraw/zinc/26/01/02/135260102.db2.gz WICHZYVTSPEOTJ-UHFFFAOYSA-N 2 0 224.308 1.249 20 0 BDADRP COCC(C)(C)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000261924068 135263871 /nfs/dbraw/zinc/26/38/71/135263871.db2.gz KUTPJNPWLQDBKU-AVGNSLFASA-N 2 0 240.391 1.718 20 0 BDADRP C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261933388 135264026 /nfs/dbraw/zinc/26/40/26/135264026.db2.gz LUTBEAOXIUMUMC-YRGRVCCFSA-N 2 0 240.391 1.467 20 0 BDADRP C[N@H+](CC[C@@H]1CCOC1)[C@H]1CCC[NH2+]CC1 ZINC000261970200 135267975 /nfs/dbraw/zinc/26/79/75/135267975.db2.gz QGHKHBFPSHSYNK-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP CO[C@H](C)C[N@H+](C[C@@]1(C)CC[NH2+]C1)C(C)C ZINC000261975263 135268643 /nfs/dbraw/zinc/26/86/43/135268643.db2.gz IQXHNQIBHBGQPG-OLZOCXBDSA-N 2 0 228.380 1.731 20 0 BDADRP CO[C@@H](C)C[N@H+](C[C@@]1(C)CC[NH2+]C1)C(C)C ZINC000261975268 135269152 /nfs/dbraw/zinc/26/91/52/135269152.db2.gz IQXHNQIBHBGQPG-STQMWFEESA-N 2 0 228.380 1.731 20 0 BDADRP COCC(C)(C)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000262005045 135271727 /nfs/dbraw/zinc/27/17/27/135271727.db2.gz UMALFYGMKNYJFM-GFCCVEGCSA-N 2 0 228.380 1.720 20 0 BDADRP Cc1nn(C(C)C)cc1CN1CC[C@@H](C[NH3+])C1 ZINC000262016259 135273368 /nfs/dbraw/zinc/27/33/68/135273368.db2.gz VSAQYXUCJUVCJD-LBPRGKRZSA-N 2 0 236.363 1.553 20 0 BDADRP Cn1ncc(Cl)c1CN1CC[C@](C)(C[NH3+])C1 ZINC000262028041 135273815 /nfs/dbraw/zinc/27/38/15/135273815.db2.gz WVADZLUNESCKNA-LLVKDONJSA-N 2 0 242.754 1.244 20 0 BDADRP CCC[N@H+](CC[C@H]1CCOC1)C1CC[NH2+]CC1 ZINC000262034459 135274461 /nfs/dbraw/zinc/27/44/61/135274461.db2.gz XPDUGSUPXMLPLM-ZDUSSCGKSA-N 2 0 240.391 1.877 20 0 BDADRP C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)[C@@H]1CCOC1 ZINC000262071219 135277033 /nfs/dbraw/zinc/27/70/33/135277033.db2.gz SBYIHKMVBXOGEV-CYBMUJFWSA-N 2 0 238.375 1.489 20 0 BDADRP C[C@H](O)C[C@@H]1CCC[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000262100132 135278476 /nfs/dbraw/zinc/27/84/76/135278476.db2.gz VMROVTRTOHFYGP-AVGNSLFASA-N 2 0 226.364 1.221 20 0 BDADRP C[C@H](O)C[C@H]1CCC[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000262100135 135278635 /nfs/dbraw/zinc/27/86/35/135278635.db2.gz VMROVTRTOHFYGP-YNEHKIRRSA-N 2 0 226.364 1.221 20 0 BDADRP Cn1cc([C@@H]2CC[N@H+](C[C@@]3(C)CC[NH2+]C3)C2)cn1 ZINC000262103505 135279102 /nfs/dbraw/zinc/27/91/02/135279102.db2.gz VTZBFOCCVLKTMC-OCCSQVGLSA-N 2 0 248.374 1.209 20 0 BDADRP C[C@]1(C[NH+]2CCC(c3cc[nH]n3)CC2)CC[NH2+]C1 ZINC000262090814 135279110 /nfs/dbraw/zinc/27/91/10/135279110.db2.gz UVOQRHYZAVBFQJ-AWEZNQCLSA-N 2 0 248.374 1.589 20 0 BDADRP Cc1cc(C)c(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c(C)c1 ZINC000262110248 135279303 /nfs/dbraw/zinc/27/93/03/135279303.db2.gz KJEVTNVFLVAMKE-DZGCQCFKSA-N 2 0 248.370 1.282 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCOCC(F)F)C1 ZINC000262129491 135280516 /nfs/dbraw/zinc/28/05/16/135280516.db2.gz NTRIIWMJRVOCAS-UWVGGRQHSA-N 2 0 236.306 1.327 20 0 BDADRP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000262121902 135280546 /nfs/dbraw/zinc/28/05/46/135280546.db2.gz MDJBJVZKYSSVIB-AAVRWANBSA-N 2 0 238.375 1.125 20 0 BDADRP CCC1CC([NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000342616054 135296148 /nfs/dbraw/zinc/29/61/48/135296148.db2.gz OVULAYOTOFKHNO-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP CCC[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000262441384 135299428 /nfs/dbraw/zinc/29/94/28/135299428.db2.gz NHXSAEYHHMFSMJ-RYUDHWBXSA-N 2 0 241.379 1.138 20 0 BDADRP C[N@H+](CC[C@@H]1CCCO1)CC[C@@H]1CCC[NH+]1C ZINC000342607391 135302488 /nfs/dbraw/zinc/30/24/88/135302488.db2.gz RWAMHLBMILFIKC-KBPBESRZSA-N 2 0 240.391 1.972 20 0 BDADRP CC1CC[NH+](C[C@H]2CCCN(CC[NH3+])C2)CC1 ZINC000262939695 135324030 /nfs/dbraw/zinc/32/40/30/135324030.db2.gz IRCPJISGEXBZCB-AWEZNQCLSA-N 2 0 239.407 1.389 20 0 BDADRP [NH3+]CC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000263005813 135326307 /nfs/dbraw/zinc/32/63/07/135326307.db2.gz QLYPMVQBUHXGLN-UHFFFAOYSA-N 2 0 247.220 1.061 20 0 BDADRP Cc1n[nH]c(C)c1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000334312617 135351559 /nfs/dbraw/zinc/35/15/59/135351559.db2.gz UIXQGXRCJYQWLU-GZMMTYOYSA-N 2 0 222.336 1.196 20 0 BDADRP C[C@@H]1COCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000334370663 135375526 /nfs/dbraw/zinc/37/55/26/135375526.db2.gz PANMSGXEJFWNRP-UONOGXRCSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@@H](C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[C@H](C)[NH3+] ZINC000192120737 135563156 /nfs/dbraw/zinc/56/31/56/135563156.db2.gz QHUIRUMRYLTFGP-VWYCJHECSA-N 2 0 243.395 1.062 20 0 BDADRP Cc1ncc(CN[C@@H]2CCCC[C@H]2[NH3+])s1 ZINC000335282179 136000315 /nfs/dbraw/zinc/00/03/15/136000315.db2.gz STQAEVLKJKRCHB-GHMZBOCLSA-N 2 0 225.361 1.811 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]2C(F)F)[C@H](C)C1 ZINC000348185648 136044277 /nfs/dbraw/zinc/04/42/77/136044277.db2.gz QGSOOUUZVCNUDB-VPOLOUISSA-N 2 0 232.318 1.960 20 0 BDADRP FC(F)[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000348215892 136046252 /nfs/dbraw/zinc/04/62/52/136046252.db2.gz BUTLZFDGGLYDDM-YTWAJWBKSA-N 2 0 230.302 1.856 20 0 BDADRP [NH3+][C@H]1CCCN(Cc2cccc3c[nH]nc32)C1 ZINC000335335042 136055647 /nfs/dbraw/zinc/05/56/47/136055647.db2.gz MCSVFEAWORXUPG-LBPRGKRZSA-N 2 0 230.315 1.486 20 0 BDADRP C[C@H](NCC[C@H]1CCC[N@@H+]1C)c1cnn(C)c1 ZINC000348309977 136066559 /nfs/dbraw/zinc/06/65/59/136066559.db2.gz QCPRBFDVCWPJKZ-WCQYABFASA-N 2 0 236.363 1.555 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C2CCC(C[NH3+])CC2)CO1 ZINC000335384405 136088721 /nfs/dbraw/zinc/08/87/21/136088721.db2.gz FSHSZJSRPJKZBI-XKGSQUFQSA-N 2 0 212.337 1.271 20 0 BDADRP F[C@@H]1CCC[C@@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC000335386120 136088955 /nfs/dbraw/zinc/08/89/55/136088955.db2.gz MZXYFYWKPNEAIU-MWLCHTKSSA-N 2 0 200.301 1.609 20 0 BDADRP CC(C)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000335394291 136091787 /nfs/dbraw/zinc/09/17/87/136091787.db2.gz GTAOYFJGFKCWQM-LLVKDONJSA-N 2 0 212.337 1.082 20 0 BDADRP [NH3+]C[C@@H]1C[N@H+](CC2CCC2)CC12CCOCC2 ZINC000335394923 136092172 /nfs/dbraw/zinc/09/21/72/136092172.db2.gz HEBFPDXLJHISDM-CYBMUJFWSA-N 2 0 238.375 1.474 20 0 BDADRP c1cc2c(s1)CCC[C@H]2[NH2+]CC1C[NH2+]C1 ZINC000335551568 136097942 /nfs/dbraw/zinc/09/79/42/136097942.db2.gz JMLHFPTURUBVCP-LLVKDONJSA-N 2 0 222.357 1.935 20 0 BDADRP c1ccc2c(c1)CC[C@H]2[NH2+]CC1C[NH2+]C1 ZINC000335552626 136098530 /nfs/dbraw/zinc/09/85/30/136098530.db2.gz QANMZFPGPZSFFN-CYBMUJFWSA-N 2 0 202.301 1.483 20 0 BDADRP Cc1ccc2c(c1)[C@H]([NH2+]CC1C[NH2+]C1)CC2 ZINC000335551986 136098581 /nfs/dbraw/zinc/09/85/81/136098581.db2.gz NCVIHYNVLOWNNQ-CQSZACIVSA-N 2 0 216.328 1.791 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@H]3CCCCO3)C2)C1 ZINC000335569725 136108535 /nfs/dbraw/zinc/10/85/35/136108535.db2.gz CENMHZXNWDTHGA-ZIAGYGMSSA-N 2 0 238.375 1.583 20 0 BDADRP [NH3+][C@H]1Cc2ccccc2N(CC[C@H]2CC[NH2+]C2)C1 ZINC000335599184 136114040 /nfs/dbraw/zinc/11/40/40/136114040.db2.gz OMYFBOBZFBHLFW-OCCSQVGLSA-N 2 0 245.370 1.376 20 0 BDADRP COC[C@H](C)C[NH2+]CC1CC[NH+](C)CC1 ZINC000054243819 322856770 /nfs/dbraw/zinc/85/67/70/322856770.db2.gz YDGCYDNYMREZAB-LLVKDONJSA-N 2 0 214.353 1.200 20 0 BDADRP c1cc([C@@H]2CCC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)n[nH]1 ZINC000647514037 397771710 /nfs/dbraw/zinc/77/17/10/397771710.db2.gz AYZWPHMQMHBVCX-QWHCGFSZSA-N 2 0 248.374 1.589 20 0 BDADRP C[N@H+](CCCn1ccnc1)CCn1ccnc1 ZINC000162300944 397777229 /nfs/dbraw/zinc/77/72/29/397777229.db2.gz TYIFVGSORYWUFD-UHFFFAOYSA-N 2 0 233.319 1.102 20 0 BDADRP Cc1ccc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cn1 ZINC000162304936 397778345 /nfs/dbraw/zinc/77/83/45/397778345.db2.gz WWAVGCQPHZEXHV-DGCLKSJQSA-N 2 0 219.332 1.559 20 0 BDADRP C[N@H+](Cc1ccc(-n2ccnc2)nc1)C1CC1 ZINC000177023264 397840215 /nfs/dbraw/zinc/84/02/15/397840215.db2.gz VDNHYMCBJBQSIL-UHFFFAOYSA-N 2 0 228.299 1.862 20 0 BDADRP [NH3+]CCN(Cc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000647908410 397956493 /nfs/dbraw/zinc/95/64/93/397956493.db2.gz YRWBGTSCYDQBMD-AWEZNQCLSA-N 2 0 233.359 1.057 20 0 BDADRP CC(C)[C@@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)CCS1 ZINC000390756814 397900795 /nfs/dbraw/zinc/90/07/95/397900795.db2.gz IIYBACMEANFYOM-NEPJUHHUSA-N 2 0 228.405 1.669 20 0 BDADRP CCC[NH+]1CCC([NH2+]CC[C@@H]2CC[NH2+]C2)CC1 ZINC000414829582 398050226 /nfs/dbraw/zinc/05/02/26/398050226.db2.gz LBVVHNGQGNSVAV-ZDUSSCGKSA-N 3 0 239.407 1.450 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CC[N@H+](C)CC[C@H]1C ZINC000414690015 398019585 /nfs/dbraw/zinc/01/95/85/398019585.db2.gz HFLVHVMSLWPQMG-CHWSQXEVSA-N 2 0 227.396 1.386 20 0 BDADRP CC(C)(C)[NH2+]CCN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000414690327 398020406 /nfs/dbraw/zinc/02/04/06/398020406.db2.gz AESSVAYFCCMUDH-NWDGAFQWSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCC1([NH3+])CCCCCC1 ZINC000375438174 398023729 /nfs/dbraw/zinc/02/37/29/398023729.db2.gz QLGMLENEJBOXMY-GHMZBOCLSA-N 2 0 241.379 1.138 20 0 BDADRP CC(C)(C)[NH2+]CCN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000414765015 398028030 /nfs/dbraw/zinc/02/80/30/398028030.db2.gz FNOGAFQYEDNAMU-RYUDHWBXSA-N 2 0 225.380 1.058 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@@H]21 ZINC000163666932 398030326 /nfs/dbraw/zinc/03/03/26/398030326.db2.gz OSOIDHQLOYPUCS-QNWHQSFQSA-N 2 0 224.348 1.082 20 0 BDADRP C[C@@H]1C[NH2+][C@@H](C)CN1CC[NH2+]C(C)(C)C ZINC000414768414 398030432 /nfs/dbraw/zinc/03/04/32/398030432.db2.gz VAHMPBYQQHZNPN-WDEREUQCSA-N 2 0 213.369 1.057 20 0 BDADRP C[C@H]1C[C@H](CN2CCC[C@H]3C[NH2+]C[C@H]32)CC[NH2+]1 ZINC000414781801 398037476 /nfs/dbraw/zinc/03/74/76/398037476.db2.gz DDCLLQBOIBXZNG-RFQIPJPRSA-N 2 0 237.391 1.058 20 0 BDADRP Oc1cc(F)cc(C[NH2+]CC[C@H]2CC[NH2+]C2)c1 ZINC000414829590 398050559 /nfs/dbraw/zinc/05/05/59/398050559.db2.gz LDEQNFHVPKPGNX-SNVBAGLBSA-N 2 0 238.306 1.621 20 0 BDADRP CCCC[C@H](COC)[NH2+]C[C@@H]([NH3+])C(C)C ZINC000414799336 398041438 /nfs/dbraw/zinc/04/14/38/398041438.db2.gz RDDYFGQWLGEDKL-VXGBXAGGSA-N 2 0 216.369 1.765 20 0 BDADRP [NH3+][C@@H]1CCN(c2cc[nH+]c3ccccc32)C1 ZINC000050244314 397970457 /nfs/dbraw/zinc/97/04/57/397970457.db2.gz LZFUHIFWKHKVCY-SNVBAGLBSA-N 2 0 213.284 1.772 20 0 BDADRP COCc1ccc(CN2CC[C@@H]([NH3+])[C@@H](C)C2)o1 ZINC000382764333 397972602 /nfs/dbraw/zinc/97/26/02/397972602.db2.gz SHVOXUGOPMZQPF-GXFFZTMASA-N 2 0 238.331 1.595 20 0 BDADRP COCc1ccc(C[NH+]2CCC(C[NH3+])CC2)o1 ZINC000382798906 397978875 /nfs/dbraw/zinc/97/88/75/397978875.db2.gz YWUCDEMTVUZUGW-UHFFFAOYSA-N 2 0 238.331 1.597 20 0 BDADRP Cc1ccc(O)c(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)n1 ZINC000414852566 398060398 /nfs/dbraw/zinc/06/03/98/398060398.db2.gz KBPTWTWKIAMYON-NEPJUHHUSA-N 2 0 249.358 1.573 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)NC[C@@H]1CCC[NH2+]C1 ZINC000414853936 398061043 /nfs/dbraw/zinc/06/10/43/398061043.db2.gz LNCOVSVLUGYGAB-JHJVBQTASA-N 2 0 225.380 1.106 20 0 BDADRP CC(C)[C@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186567221 398093248 /nfs/dbraw/zinc/09/32/48/398093248.db2.gz QPEYPEOENIWRIF-KBPBESRZSA-N 2 0 241.423 1.647 20 0 BDADRP Oc1cc(F)cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)c1 ZINC000414829589 398050974 /nfs/dbraw/zinc/05/09/74/398050974.db2.gz LDEQNFHVPKPGNX-JTQLQIEISA-N 2 0 238.306 1.621 20 0 BDADRP CC1(C)C[N@H+](CCC2CC[NH2+]CC2)CCCO1 ZINC000383958574 398054092 /nfs/dbraw/zinc/05/40/92/398054092.db2.gz HKVQBAJVXSWSRJ-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP CC(C)C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000061935413 398108769 /nfs/dbraw/zinc/10/87/69/398108769.db2.gz OIRVZLOZVRDCJW-CYBMUJFWSA-N 2 0 228.380 1.733 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CC1CCOCC1 ZINC000335007864 398124811 /nfs/dbraw/zinc/12/48/11/398124811.db2.gz ALAAHCFUJJXOSX-STQMWFEESA-N 2 0 226.364 1.663 20 0 BDADRP COc1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000259182070 322882166 /nfs/dbraw/zinc/88/21/66/322882166.db2.gz ZGZSCXSAXVZNDX-CYBMUJFWSA-N 2 0 234.343 1.784 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)[C@H]2CCCO2)C1 ZINC000680338566 487568213 /nfs/dbraw/zinc/56/82/13/487568213.db2.gz FFJYTEUNAGOQCI-MGPQQGTHSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)OCCC[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000336755199 167215536 /nfs/dbraw/zinc/21/55/36/167215536.db2.gz XOEAUCIAGXASMI-VXGBXAGGSA-N 2 0 214.353 1.471 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@H](C)[C@H](C)C1 ZINC000393734081 487578524 /nfs/dbraw/zinc/57/85/24/487578524.db2.gz ADGDNNDJXJZZFX-FRRDWIJNSA-N 2 0 228.380 1.275 20 0 BDADRP CC(C)OCC[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069626555 167232567 /nfs/dbraw/zinc/23/25/67/167232567.db2.gz JLEPMYLZPDISAQ-GFCCVEGCSA-N 2 0 214.353 1.472 20 0 BDADRP CC[C@H](C)[N@H+](CC)CCN1CC[NH2+]CC1 ZINC000037482574 487585631 /nfs/dbraw/zinc/58/56/31/487585631.db2.gz JHCMTHHETPBJDS-LBPRGKRZSA-N 2 0 213.369 1.012 20 0 BDADRP CCC(C)(C)[C@H](C)[NH2+]CCOCC[NH+](C)C ZINC000556455299 322913162 /nfs/dbraw/zinc/91/31/62/322913162.db2.gz NGMZKNBNOOICMK-LBPRGKRZSA-N 2 0 230.396 1.979 20 0 BDADRP CCC[N@H+](CC)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249535 409548242 /nfs/dbraw/zinc/54/82/42/409548242.db2.gz WLDCPLZGJNNMKZ-LLVKDONJSA-N 2 0 212.337 1.239 20 0 BDADRP C[C@@H]1C[C@@H](C)[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662255577 409551953 /nfs/dbraw/zinc/55/19/53/409551953.db2.gz FCNKCJWNJKJXFH-UTUOFQBUSA-N 2 0 224.348 1.238 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CCC[C@H](CCF)C1 ZINC000662311294 409635066 /nfs/dbraw/zinc/63/50/66/409635066.db2.gz RPLYFUBZLRIYNK-LLVKDONJSA-N 2 0 218.316 1.033 20 0 BDADRP C[N@H+](CC[C@H]1CCc2ccccc21)C[C@H](O)C[NH3+] ZINC000662276528 409588766 /nfs/dbraw/zinc/58/87/66/409588766.db2.gz JTKPAWSVUGXLLS-ZIAGYGMSSA-N 2 0 248.370 1.358 20 0 BDADRP C[C@H]1CCCC[C@H]1C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662283838 409614418 /nfs/dbraw/zinc/61/44/18/409614418.db2.gz KSDATWNZTSILGE-STQMWFEESA-N 2 0 240.391 1.517 20 0 BDADRP CC[C@@H]([NH2+]C)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000662425663 409709103 /nfs/dbraw/zinc/70/91/03/409709103.db2.gz GOIRDOLNOUNVDN-ZWNOBZJWSA-N 2 0 249.358 1.321 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCS[C@@H]1C ZINC000308505727 409766691 /nfs/dbraw/zinc/76/66/91/409766691.db2.gz DYTDBLFLDQFQMZ-GMTAPVOTSA-N 2 0 216.394 1.988 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCS[C@@H]1C ZINC000308505728 409767516 /nfs/dbraw/zinc/76/75/16/409767516.db2.gz DYTDBLFLDQFQMZ-MXWKQRLJSA-N 2 0 216.394 1.988 20 0 BDADRP CC(C)(CCC[NH3+])NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653143513 409867293 /nfs/dbraw/zinc/86/72/93/409867293.db2.gz QWUCXWHDUYNFQN-NSHDSACASA-N 2 0 241.379 1.010 20 0 BDADRP C[C@@H](CCCC[NH3+])NC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662778076 409896770 /nfs/dbraw/zinc/89/67/70/409896770.db2.gz CTGITCXXDUPIRM-WDEREUQCSA-N 2 0 241.379 1.008 20 0 BDADRP Cc1ccc([C@H]([NH3+])C(=O)N(C)CC(C)(C)[NH3+])cc1 ZINC000662845335 409951073 /nfs/dbraw/zinc/95/10/73/409951073.db2.gz OEBDZFIINYWGBE-LBPRGKRZSA-N 2 0 249.358 1.191 20 0 BDADRP [NH3+]C1(c2nc([C@H]3CCC[NH2+]3)no2)CCCC1 ZINC000647156885 410007328 /nfs/dbraw/zinc/00/73/28/410007328.db2.gz UITXWYXWSYKYCA-MRVPVSSYSA-N 2 0 222.292 1.222 20 0 BDADRP C[NH2+]Cc1ccccc1CNC(=O)CC(C)(C)[NH3+] ZINC000653211142 410164702 /nfs/dbraw/zinc/16/47/02/410164702.db2.gz PKGHJRGBTLCXSF-UHFFFAOYSA-N 2 0 249.358 1.150 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)C1 ZINC000309018453 410196461 /nfs/dbraw/zinc/19/64/61/410196461.db2.gz SCIREEXXSBUPKF-NEPJUHHUSA-N 2 0 214.353 1.029 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C)C1 ZINC000309018456 410198022 /nfs/dbraw/zinc/19/80/22/410198022.db2.gz SCIREEXXSBUPKF-VXGBXAGGSA-N 2 0 214.353 1.029 20 0 BDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000650706315 410337957 /nfs/dbraw/zinc/33/79/57/410337957.db2.gz IPZKWXJLCSRWPA-MCIONIFRSA-N 2 0 238.375 1.615 20 0 BDADRP CCc1nc(C[NH2+]CCC2(C[NH3+])CC2)cs1 ZINC000650712508 410341550 /nfs/dbraw/zinc/34/15/50/410341550.db2.gz GZGZPOZSUJFRSY-UHFFFAOYSA-N 2 0 239.388 1.924 20 0 BDADRP [NH3+]CC1CCC([NH2+]CCC2(C[NH3+])CC2)CC1 ZINC000650714041 410346569 /nfs/dbraw/zinc/34/65/69/410346569.db2.gz OPOUNVCDTLXNLL-UHFFFAOYSA-N 3 0 225.380 1.223 20 0 BDADRP C[C@@H](CC1CCOCC1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650714051 410346663 /nfs/dbraw/zinc/34/66/63/410346663.db2.gz OYYQOUMJAAAVNP-LBPRGKRZSA-N 2 0 240.391 1.910 20 0 BDADRP [NH3+]CC1(CC[NH2+]CC[C@H]2CCOC2)CC1 ZINC000650714215 410346738 /nfs/dbraw/zinc/34/67/38/410346738.db2.gz WEWGMVAQPDHXIJ-NSHDSACASA-N 2 0 212.337 1.132 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCC2(C[NH3+])CC2)[C@@H](C)C1 ZINC000650714316 410348734 /nfs/dbraw/zinc/34/87/34/410348734.db2.gz YMUXLSHHABIKBK-QWHCGFSZSA-N 3 0 239.407 1.435 20 0 BDADRP C[NH2+]Cc1ccccc1CNCC[NH2+]C(C)(C)C ZINC000650720316 410358046 /nfs/dbraw/zinc/35/80/46/410358046.db2.gz LIDPDJLQZRZVKI-UHFFFAOYSA-N 2 0 249.402 1.884 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+]C1CCN(C)CC1 ZINC000650719502 410358357 /nfs/dbraw/zinc/35/83/57/410358357.db2.gz RZVCQLNFPOGRIZ-UHFFFAOYSA-N 2 0 247.386 1.590 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+]CC[C@H]1CCOC1 ZINC000650720667 410359899 /nfs/dbraw/zinc/35/98/99/410359899.db2.gz XQOHWPAWHLJUEJ-ZDUSSCGKSA-N 2 0 248.370 1.922 20 0 BDADRP Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+]CC(C)(C)[NH3+] ZINC000650725185 410363459 /nfs/dbraw/zinc/36/34/59/410363459.db2.gz VCWDZJZSURRNHS-NSHDSACASA-N 2 0 249.358 1.090 20 0 BDADRP CC(C)C[N@H+](C)CCCN[C@H]1C[NH2+]CC[C@@H]1C ZINC000650740401 410372611 /nfs/dbraw/zinc/37/26/11/410372611.db2.gz LYGSEUUCFMZAIO-KBPBESRZSA-N 2 0 241.423 1.552 20 0 BDADRP CC(C)C[N@H+](C)CCCN[C@@H]1CCC[C@@H]1[NH3+] ZINC000650740774 410374905 /nfs/dbraw/zinc/37/49/05/410374905.db2.gz QRJQBXMFJHUZMY-QWHCGFSZSA-N 2 0 227.396 1.434 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCC2(C[NH3+])CC2)CN1C1CC1 ZINC000650745528 410382533 /nfs/dbraw/zinc/38/25/33/410382533.db2.gz IQGNTNFRLZOIJL-RYUDHWBXSA-N 2 0 237.391 1.330 20 0 BDADRP C[C@H]1COCC[C@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650746524 410384292 /nfs/dbraw/zinc/38/42/92/410384292.db2.gz DWEDVOMZAKOAHO-WDEREUQCSA-N 2 0 212.337 1.130 20 0 BDADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccnn1C ZINC000650746493 410384322 /nfs/dbraw/zinc/38/43/22/410384322.db2.gz DFRCUUQYEWXUCJ-SNVBAGLBSA-N 2 0 222.336 1.200 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650747668 410386995 /nfs/dbraw/zinc/38/69/95/410386995.db2.gz FLSBUDQPJAJIHJ-NEPJUHHUSA-N 3 0 225.380 1.093 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]CCC2(C[NH3+])CC2)C1 ZINC000650747300 410388468 /nfs/dbraw/zinc/38/84/68/410388468.db2.gz WUQKDSUMQDFRAK-NWDGAFQWSA-N 2 0 226.364 1.663 20 0 BDADRP C[NH2+]Cc1ccccc1CN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000650755577 410402530 /nfs/dbraw/zinc/40/25/30/410402530.db2.gz IEQMWKDZCUAVAS-SWLSCSKDSA-N 2 0 247.386 1.494 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000650756095 410402966 /nfs/dbraw/zinc/40/29/66/410402966.db2.gz UNHQWQVPSUKQJH-NSHDSACASA-N 2 0 233.359 1.104 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)COCC1CC1 ZINC000650760678 410406616 /nfs/dbraw/zinc/40/66/16/410406616.db2.gz JYMNGFLCYGTJSO-VXGBXAGGSA-N 2 0 228.380 1.909 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650761853 410408967 /nfs/dbraw/zinc/40/89/67/410408967.db2.gz MBBMPBJNJBSSIK-KGLIPLIRSA-N 3 0 239.407 1.483 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650762164 410412239 /nfs/dbraw/zinc/41/22/39/410412239.db2.gz VQDXMSHBHBAEAO-QWRGUYRKSA-N 3 0 213.369 1.092 20 0 BDADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1cnccn1 ZINC000650764025 410413945 /nfs/dbraw/zinc/41/39/45/410413945.db2.gz OOQLIIJDQHWEQD-NSHDSACASA-N 2 0 234.347 1.517 20 0 BDADRP C[C@H]([NH2+][C@H]1COCC1(C)C)C1CC[NH+](C)CC1 ZINC000313073854 410736811 /nfs/dbraw/zinc/73/68/11/410736811.db2.gz YYPMMMKYATXIFN-AAEUAGOBSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000653299345 410817098 /nfs/dbraw/zinc/81/70/98/410817098.db2.gz PSAKQDUBHNWCGT-TZMCWYRMSA-N 3 0 239.407 1.578 20 0 BDADRP C[C@H]([NH3+])[C@@H]1C[N@H+](C[C@H]2CCCC[C@@H]2C)CCO1 ZINC000394864321 410828521 /nfs/dbraw/zinc/82/85/21/410828521.db2.gz SHWJVGZJJSMFOZ-FQUUOJAGSA-N 2 0 240.391 1.861 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)C1CC[NH+](C)CC1 ZINC000396440744 410882728 /nfs/dbraw/zinc/88/27/28/410882728.db2.gz LECIOBSYTKGEGB-FPMFFAJLSA-N 3 0 239.407 1.576 20 0 BDADRP CC(C)OC1CC([NH2+][C@H](C)CC[NH+](C)C)C1 ZINC000336733784 167176083 /nfs/dbraw/zinc/17/60/83/167176083.db2.gz GVVBYNMUUHWCFI-PNESKVBLSA-N 2 0 228.380 1.872 20 0 BDADRP CC(C)OCCC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000368318922 167215707 /nfs/dbraw/zinc/21/57/07/167215707.db2.gz UTVGBWLMBWXIMY-CQSZACIVSA-N 2 0 240.391 1.829 20 0 BDADRP CC(C)OCC[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000049259812 167232207 /nfs/dbraw/zinc/23/22/07/167232207.db2.gz GBFSSSDUCVTQMJ-NSHDSACASA-N 2 0 200.326 1.082 20 0 BDADRP CC(C)OCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000049260901 167232832 /nfs/dbraw/zinc/23/28/32/167232832.db2.gz PBVWASQNAFCTCM-KGLIPLIRSA-N 2 0 240.391 1.875 20 0 BDADRP CC[NH+](CC)C[C@H](C)NC(=O)C1([NH3+])CCCC1 ZINC000041680116 410934617 /nfs/dbraw/zinc/93/46/17/410934617.db2.gz KQTCZDDCTIDAGS-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP COC[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)C1CC1 ZINC000398126742 410944823 /nfs/dbraw/zinc/94/48/23/410944823.db2.gz RSJWVKQIGQCDEV-AWEZNQCLSA-N 2 0 234.343 1.660 20 0 BDADRP COC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000300949720 411128273 /nfs/dbraw/zinc/12/82/73/411128273.db2.gz HAFPOXRONASUNT-NEPJUHHUSA-N 2 0 228.380 1.731 20 0 BDADRP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CCC1 ZINC000400928562 411163257 /nfs/dbraw/zinc/16/32/57/411163257.db2.gz NFHONUCLEOBBCJ-JHJVBQTASA-N 2 0 208.349 1.764 20 0 BDADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CCOC[C@H]1C ZINC000651865784 411147990 /nfs/dbraw/zinc/14/79/90/411147990.db2.gz HMZWRVZMIUVIKS-ZIAGYGMSSA-N 2 0 242.407 1.979 20 0 BDADRP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CCOC[C@H]1C ZINC000651865782 411148193 /nfs/dbraw/zinc/14/81/93/411148193.db2.gz HMZWRVZMIUVIKS-KGLIPLIRSA-N 2 0 242.407 1.979 20 0 BDADRP Cc1ccc(CN[C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)cn1 ZINC000655940390 411160472 /nfs/dbraw/zinc/16/04/72/411160472.db2.gz ADXOLCQBVKAHGF-ZKYQVNSYSA-N 2 0 233.359 1.866 20 0 BDADRP Cc1c(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cnn1C ZINC000401040278 411174454 /nfs/dbraw/zinc/17/44/54/411174454.db2.gz TVCOBYIYUHYCPC-OUCADQQQSA-N 2 0 248.374 1.206 20 0 BDADRP C[NH2+][C@@H](C)C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000655608696 411177095 /nfs/dbraw/zinc/17/70/95/411177095.db2.gz GBHPSYAIEZZHOT-LBPRGKRZSA-N 2 0 243.395 1.219 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cn[nH]c1 ZINC000401102197 411177088 /nfs/dbraw/zinc/17/70/88/411177088.db2.gz DDQTXTIJYOHIPQ-SBFPOUOMSA-N 2 0 234.347 1.448 20 0 BDADRP C[C@H](CCO)CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401149325 411177850 /nfs/dbraw/zinc/17/78/50/411177850.db2.gz PAJNJGRZFDFGPH-IGQOVBAYSA-N 2 0 240.391 1.373 20 0 BDADRP C[C@@H](c1ccncc1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000049712767 411243360 /nfs/dbraw/zinc/24/33/60/411243360.db2.gz SFBFZVGBKOIOMW-MDZLAQPJSA-N 2 0 219.332 1.812 20 0 BDADRP C(C1CC1)[NH+](CC1CC1)C[C@@H]1CC[NH2+]C1 ZINC000070505441 411197974 /nfs/dbraw/zinc/19/79/74/411197974.db2.gz MQLUPNRDQQNHEH-CYBMUJFWSA-N 2 0 208.349 1.718 20 0 BDADRP CC1(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC[NH2+]CC1 ZINC000656193036 411198433 /nfs/dbraw/zinc/19/84/33/411198433.db2.gz JHZIRULJWCYBQN-NWDGAFQWSA-N 3 0 225.380 1.236 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[NH2+][C@H](C)Cc1ccccn1 ZINC000656193272 411199679 /nfs/dbraw/zinc/19/96/79/411199679.db2.gz CWZVUXHOAOIETJ-CHWSQXEVSA-N 2 0 235.375 1.976 20 0 BDADRP C[C@H](Cc1ccccn1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000656193852 411199903 /nfs/dbraw/zinc/19/99/03/411199903.db2.gz VZDFAROOTULMAL-CHWSQXEVSA-N 2 0 233.359 1.602 20 0 BDADRP Cc1cnc(CC[NH2+][C@@H](C)C[C@@H](C)[NH3+])c(C)c1 ZINC000656199656 411203273 /nfs/dbraw/zinc/20/32/73/411203273.db2.gz ACQOSOHBIYDALO-OLZOCXBDSA-N 2 0 235.375 1.956 20 0 BDADRP Cc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c(=O)n1C ZINC000656198727 411203282 /nfs/dbraw/zinc/20/32/82/411203282.db2.gz FPSHJRPDLSZAOF-OLZOCXBDSA-N 2 0 249.358 1.053 20 0 BDADRP CC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1CCC[NH2+]1 ZINC000656200083 411203890 /nfs/dbraw/zinc/20/38/90/411203890.db2.gz JFZBWSVPLZZUCG-RQJABVFESA-N 3 0 239.407 1.447 20 0 BDADRP Cc1cnc(CC[NH2+][C@@H]2CCC[C@@H]2[NH3+])c(C)c1 ZINC000656200259 411203979 /nfs/dbraw/zinc/20/39/79/411203979.db2.gz KOPKESFDXNYTBC-GXTWGEPZSA-N 2 0 233.359 1.710 20 0 BDADRP CC(C)C[N@H+](C)CCCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000656199990 411204147 /nfs/dbraw/zinc/20/41/47/411204147.db2.gz DGXQJFGLJWBXIW-ZIAGYGMSSA-N 2 0 241.423 1.824 20 0 BDADRP CO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000656200184 411204935 /nfs/dbraw/zinc/20/49/35/411204935.db2.gz GSBUQFFCUPZMLK-UMSGYPCISA-N 2 0 226.364 1.804 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(C)COC2)[C@@H](C)C1 ZINC000223540189 411208178 /nfs/dbraw/zinc/20/81/78/411208178.db2.gz AWDSUEGGDNNFMY-NWDGAFQWSA-N 2 0 226.364 1.343 20 0 BDADRP CC(C)[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652345921 411209188 /nfs/dbraw/zinc/20/91/88/411209188.db2.gz PAWPMZGNWWPIAA-RWMBFGLXSA-N 2 0 226.364 1.613 20 0 BDADRP C[C@@H]1CCC[N@H+](Cc2ccnc(N)c2)[C@@H]1CC[NH3+] ZINC000652355989 411215159 /nfs/dbraw/zinc/21/51/59/411215159.db2.gz ORGBXZSNNQZVMK-DGCLKSJQSA-N 2 0 248.374 1.443 20 0 BDADRP CCCCC[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000077339237 411217738 /nfs/dbraw/zinc/21/77/38/411217738.db2.gz KATHWTALTUWKNT-CYBMUJFWSA-N 2 0 225.380 1.156 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)C1CCCCC1 ZINC000310215233 411224899 /nfs/dbraw/zinc/22/48/99/411224899.db2.gz DZIGCZBIAKMASS-JSGCOSHPSA-N 2 0 242.407 1.857 20 0 BDADRP C([NH2+]C(C1CC1)C1CC1)[C@H]1CCC[NH2+]C1 ZINC000049237841 411228828 /nfs/dbraw/zinc/22/88/28/411228828.db2.gz LRPDJNUEOZPPRV-JTQLQIEISA-N 2 0 208.349 1.764 20 0 BDADRP COCCCC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422884322 411233984 /nfs/dbraw/zinc/23/39/84/411233984.db2.gz RVACRXMVHHGCMR-NWDGAFQWSA-N 2 0 214.353 1.663 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@H]1C[NH2+]CC[C@@H]1C ZINC000422905651 411234580 /nfs/dbraw/zinc/23/45/80/411234580.db2.gz IMXCFWQGLMOQCP-AVGNSLFASA-N 2 0 227.396 1.304 20 0 BDADRP CC[C@H](C)[N@H+](C)CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422903610 411235480 /nfs/dbraw/zinc/23/54/80/411235480.db2.gz FVCGUZAMINUHKA-ICIURTGMSA-N 2 0 239.407 1.589 20 0 BDADRP CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000423173683 411236779 /nfs/dbraw/zinc/23/67/79/411236779.db2.gz ZRWBRBADOTYIKG-YTWAJWBKSA-N 2 0 200.326 1.269 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000423306826 411238219 /nfs/dbraw/zinc/23/82/19/411238219.db2.gz MBAHXJRRPSFNTB-RKDXNWHRSA-N 2 0 227.739 1.980 20 0 BDADRP C1[NH2+]C[C@@H]2C[C@H]([NH2+]C3CCOCC3)CC[C@@H]12 ZINC000400969675 411166724 /nfs/dbraw/zinc/16/67/24/411166724.db2.gz LYENRCWIVVQQCQ-GMXVVIOVSA-N 2 0 224.348 1.143 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400984868 411167167 /nfs/dbraw/zinc/16/71/67/411167167.db2.gz VXKDEGRWPBPFHH-ITGHMWBKSA-N 2 0 238.375 1.389 20 0 BDADRP C1[C@@H]2C[C@@H]([NH2+][C@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C[C@H]12 ZINC000400974912 411167361 /nfs/dbraw/zinc/16/73/61/411167361.db2.gz GDJHECUYHZYWKU-NKTODWNOSA-N 2 0 220.360 1.763 20 0 BDADRP CC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)COC1 ZINC000400980757 411167710 /nfs/dbraw/zinc/16/77/10/411167710.db2.gz VIDHYMQSVLXEES-SDDRHHMPSA-N 2 0 224.348 1.001 20 0 BDADRP C[N@H+](CCCC1CC[NH2+]CC1)C[C@@H]1CCCO1 ZINC000050953245 411269019 /nfs/dbraw/zinc/26/90/19/411269019.db2.gz MHDUSQOKZAXTPG-AWEZNQCLSA-N 2 0 240.391 1.877 20 0 BDADRP CCN1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000050952452 411269875 /nfs/dbraw/zinc/26/98/75/411269875.db2.gz XYBFSDSXKMOJHE-UHFFFAOYSA-N 2 0 239.407 1.404 20 0 BDADRP C[NH+](C)C[C@H]1CCN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000161853812 411295035 /nfs/dbraw/zinc/29/50/35/411295035.db2.gz BJZWGFXSYLGRSE-ZIAGYGMSSA-N 2 0 239.407 1.354 20 0 BDADRP C[NH+](C)C1CC[NH+](CC2CC=CC2)CC1 ZINC000659839104 411320803 /nfs/dbraw/zinc/32/08/03/411320803.db2.gz RTUUZRIHNNYLIS-UHFFFAOYSA-N 2 0 208.349 1.979 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@H]1C1CCC1)[C@@H]1CCC[NH2+]1 ZINC000424380641 411249541 /nfs/dbraw/zinc/24/95/41/411249541.db2.gz XHJCSDWHBGLJSY-XYJRDEOASA-N 2 0 208.349 1.905 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CCc2cn(C)cn2)CS1 ZINC000655775191 411259195 /nfs/dbraw/zinc/25/91/95/411259195.db2.gz RDBAZGPBKKLIAY-ZYHUDNBSSA-N 2 0 239.388 1.836 20 0 BDADRP C[C@H]1C[C@@H](C[N@H+](C)CC(C)(C)N)CC[NH2+]1 ZINC000656784631 411361779 /nfs/dbraw/zinc/36/17/79/411361779.db2.gz FZVZDASOAUKABQ-QWRGUYRKSA-N 2 0 213.369 1.044 20 0 BDADRP C[C@H]([NH3+])[C@H](C)NCc1ccc2c(c1)C[NH2+]CC2 ZINC000656784555 411361882 /nfs/dbraw/zinc/36/18/82/411361882.db2.gz BWSFUAIDBPKOCJ-QWRGUYRKSA-N 2 0 233.359 1.158 20 0 BDADRP Nc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000656786050 411364850 /nfs/dbraw/zinc/36/48/50/411364850.db2.gz UKHJYKYCDZUVKX-VNHYZAJKSA-N 2 0 245.370 1.747 20 0 BDADRP Cc1ccc(CN(C)CC(C)(C)[NH3+])cn1 ZINC000656786391 411365968 /nfs/dbraw/zinc/36/59/68/411365968.db2.gz YUSPSJDFQHPESY-UHFFFAOYSA-N 2 0 207.321 1.559 20 0 BDADRP CC[NH+]1CCC(NCC2([NH3+])CCCC2)CC1 ZINC000656789509 411368558 /nfs/dbraw/zinc/36/85/58/411368558.db2.gz PGLLNJWZNFJNDF-UHFFFAOYSA-N 2 0 225.380 1.332 20 0 BDADRP [NH3+]C1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCCC1 ZINC000656789583 411369174 /nfs/dbraw/zinc/36/91/74/411369174.db2.gz RPZFGDLERZZWTF-RWMBFGLXSA-N 3 0 237.391 1.236 20 0 BDADRP C[N@@H+](CC1=CCCOC1)C[C@H]1CCC[NH2+]C1 ZINC000656790674 411371268 /nfs/dbraw/zinc/37/12/68/411371268.db2.gz IKJAMEHZYWKJAY-LBPRGKRZSA-N 2 0 224.348 1.265 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH2+]CCCC1CCC1 ZINC000656709978 411336096 /nfs/dbraw/zinc/33/60/96/411336096.db2.gz GHEWPIHFUPIGET-AWEZNQCLSA-N 2 0 242.407 1.857 20 0 BDADRP CO[C@@]1(C)C[C@H]1[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000658332968 411340636 /nfs/dbraw/zinc/34/06/36/411340636.db2.gz UWVHKUTXMZAXPV-YFKTTZPYSA-N 2 0 212.337 1.236 20 0 BDADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCc1cn[nH]c1)C2 ZINC000660661748 411375333 /nfs/dbraw/zinc/37/53/33/411375333.db2.gz FYWJYJWMRBHSBO-CQSZACIVSA-N 2 0 248.374 1.370 20 0 BDADRP CC1CCN(C(=[NH2+])NCCCC[NH+](C)C)CC1 ZINC000341611950 168169100 /nfs/dbraw/zinc/16/91/00/168169100.db2.gz HIGWLKOMHLIGTR-UHFFFAOYSA-N 2 0 240.395 1.584 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CC1(CO)CCCCC1 ZINC000125483769 411376371 /nfs/dbraw/zinc/37/63/71/411376371.db2.gz ZMTOCHQXWOPZSZ-OLZOCXBDSA-N 2 0 240.391 1.646 20 0 BDADRP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)C1CC1 ZINC000361344882 168183358 /nfs/dbraw/zinc/18/33/58/168183358.db2.gz FYMLSMYCFOQVRB-JSGCOSHPSA-N 2 0 240.391 1.467 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2cc(C3CC3)no2)CC1 ZINC000662234119 411383022 /nfs/dbraw/zinc/38/30/22/411383022.db2.gz IVVGDOMEWGEERL-UHFFFAOYSA-N 2 0 235.331 1.723 20 0 BDADRP C[C@H](c1ccncc1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000309436176 411383423 /nfs/dbraw/zinc/38/34/23/411383423.db2.gz MWQBFPHAKWZNMD-YPMHNXCESA-N 2 0 219.332 1.813 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@@H](C[NH+](C)C)C1)C1CCC1 ZINC000659927425 411383980 /nfs/dbraw/zinc/38/39/80/411383980.db2.gz QKIRUHTVPFPIDK-GXTWGEPZSA-N 2 0 240.391 1.685 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@H](C[NH+](C)C)C1)C1CCC1 ZINC000659927437 411384009 /nfs/dbraw/zinc/38/40/09/411384009.db2.gz QKIRUHTVPFPIDK-TZMCWYRMSA-N 2 0 240.391 1.685 20 0 BDADRP CC[C@H]1C[C@H]([NH2+]CCC[N@H+](C)C(C)C)CO1 ZINC000657305978 411458654 /nfs/dbraw/zinc/45/86/54/411458654.db2.gz WNUKFRYWAQZTLN-STQMWFEESA-N 2 0 228.380 1.874 20 0 BDADRP CCOCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657313357 411460174 /nfs/dbraw/zinc/46/01/74/411460174.db2.gz KKMPALCHSISPKO-UHFFFAOYSA-N 2 0 246.314 1.393 20 0 BDADRP C[C@H]1CCC[N@H+](CCn2cccn2)[C@@H]1CC[NH3+] ZINC000404384491 411392876 /nfs/dbraw/zinc/39/28/76/411392876.db2.gz NQLORVYCEKHICK-QWHCGFSZSA-N 2 0 236.363 1.332 20 0 BDADRP COC[C@H](C)C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404491667 411399059 /nfs/dbraw/zinc/39/90/59/411399059.db2.gz BGEWAIGNIFYKKZ-UPJWGTAASA-N 2 0 228.380 1.718 20 0 BDADRP Cc1cnccc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000129864231 411408751 /nfs/dbraw/zinc/40/87/51/411408751.db2.gz NFZJKORRLHCAFE-NSHDSACASA-N 2 0 205.305 1.171 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@H]2CCOC(C)(C)C2)CC1 ZINC000070360442 411408921 /nfs/dbraw/zinc/40/89/21/411408921.db2.gz HAUYFMOMMVVCSE-CYBMUJFWSA-N 2 0 240.391 1.875 20 0 BDADRP [NH3+]CCOCC[NH+]1CCC2(CC2(F)F)CC1 ZINC000405071451 411415987 /nfs/dbraw/zinc/41/59/87/411415987.db2.gz WVROSZQLTTZHKT-UHFFFAOYSA-N 2 0 234.290 1.083 20 0 BDADRP CCO[C@@H]1C[N@@H+]([C@H](C)CC)C[C@H]1C[NH3+] ZINC000405593241 411435324 /nfs/dbraw/zinc/43/53/24/411435324.db2.gz NHRZSIBUICIUJY-GMTAPVOTSA-N 2 0 200.326 1.081 20 0 BDADRP C[NH2+]Cc1ccccc1NC(=O)CC1([NH3+])CCC1 ZINC000122757413 411435798 /nfs/dbraw/zinc/43/57/98/411435798.db2.gz WMSSLSUXNMKGCQ-UHFFFAOYSA-N 2 0 247.342 1.616 20 0 BDADRP CC1([NH3+])CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000306292866 411442548 /nfs/dbraw/zinc/44/25/48/411442548.db2.gz WGJJQHPABAWMRL-JTQLQIEISA-N 2 0 214.378 1.553 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+]Cc1cccc(OC)c1 ZINC000414838279 411450685 /nfs/dbraw/zinc/45/06/85/411450685.db2.gz LGHMFSGXLCKVGY-NSHDSACASA-N 2 0 222.332 1.640 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@H](C[NH3+])CC(C)C ZINC000414838330 411450784 /nfs/dbraw/zinc/45/07/84/411450784.db2.gz KIEAJNFUQLYPJD-RYUDHWBXSA-N 2 0 215.385 1.323 20 0 BDADRP c1nc2n(c1C[NH2+]C1CCSCC1)CCC2 ZINC000657349666 411476499 /nfs/dbraw/zinc/47/64/99/411476499.db2.gz JSHYRVQYAPLKTM-UHFFFAOYSA-N 2 0 237.372 1.815 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](CC(C)C)C1 ZINC000307846837 411486735 /nfs/dbraw/zinc/48/67/35/411486735.db2.gz ONTRJSYBGIZXQW-KGLIPLIRSA-N 2 0 242.407 1.667 20 0 BDADRP CC(C)C[C@@H]1CC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000307846068 411486914 /nfs/dbraw/zinc/48/69/14/411486914.db2.gz QVBRORXLJGKIGA-STQMWFEESA-N 2 0 210.365 1.964 20 0 BDADRP C[C@H]([NH2+]CCC[NH3+])[C@@H]1COc2ccccc21 ZINC000415088251 411491652 /nfs/dbraw/zinc/49/16/52/411491652.db2.gz VYJATYOEKRCNIY-JQWIXIFHSA-N 2 0 220.316 1.490 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1C[C@H]1C ZINC000655803895 411518512 /nfs/dbraw/zinc/51/85/12/411518512.db2.gz HCVLLDZPNIPCRR-NJMOYASZSA-N 2 0 210.365 1.961 20 0 BDADRP C[C@@H]1COCC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655804055 411519188 /nfs/dbraw/zinc/51/91/88/411519188.db2.gz NQUNXURPGIYVDM-FVCCEPFGSA-N 2 0 226.364 1.341 20 0 BDADRP CO[C@@H](C)[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805079 411519206 /nfs/dbraw/zinc/51/92/06/411519206.db2.gz BHFLNJOXQDUJOR-FIQHERPVSA-N 2 0 214.353 1.340 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]1CCCOC1 ZINC000655804877 411519720 /nfs/dbraw/zinc/51/97/20/411519720.db2.gz DVNJHQIEPZPHSK-MQYQWHSLSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cnn(C)c1 ZINC000655805737 411520413 /nfs/dbraw/zinc/52/04/13/411520413.db2.gz KRAFDTPROXQSKQ-GMXVVIOVSA-N 2 0 236.363 1.411 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@H]2CCSC2)C1 ZINC000655824333 411526697 /nfs/dbraw/zinc/52/66/97/411526697.db2.gz JMNGAIVOWKYRAP-UTUOFQBUSA-N 2 0 228.405 1.669 20 0 BDADRP CC(C)OC[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655824555 411526770 /nfs/dbraw/zinc/52/67/70/411526770.db2.gz LSOAKKIRUMMUQL-UPJWGTAASA-N 2 0 228.380 1.730 20 0 BDADRP COCC1(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000655816906 411528132 /nfs/dbraw/zinc/52/81/32/411528132.db2.gz GFUULPKDSNJEJX-LBPRGKRZSA-N 2 0 240.391 1.733 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(COC)CC2)[C@@H](C)C1 ZINC000655817261 411528292 /nfs/dbraw/zinc/52/82/92/411528292.db2.gz JYKIUYJNFXEBRB-STQMWFEESA-N 2 0 240.391 1.733 20 0 BDADRP Cn1cnc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000660013781 411528488 /nfs/dbraw/zinc/52/84/88/411528488.db2.gz YSSQJEPCTDAJIB-OCCSQVGLSA-N 2 0 248.374 1.336 20 0 BDADRP Cc1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)nc1 ZINC000655827267 411529950 /nfs/dbraw/zinc/52/99/50/411529950.db2.gz PJQDJSDYFYALME-XBXGTLAGSA-N 2 0 233.359 1.820 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CCOC)C1 ZINC000045035570 170008310 /nfs/dbraw/zinc/00/83/10/170008310.db2.gz FVRNVEJMAWKLLJ-RYUDHWBXSA-N 2 0 214.353 1.343 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cn[nH]c2)[C@@H](C)C1 ZINC000353623254 170011428 /nfs/dbraw/zinc/01/14/28/170011428.db2.gz BAAKEGWFPHYEMX-WCQYABFASA-N 2 0 236.363 1.272 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)C(C)(C)OC)C1 ZINC000300921370 170017461 /nfs/dbraw/zinc/01/74/61/170017461.db2.gz DWMRCSBSGGDQPJ-VXGBXAGGSA-N 2 0 228.380 1.731 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC[C@H](C)O)[C@@H](C)C1 ZINC000336730883 170018035 /nfs/dbraw/zinc/01/80/35/170018035.db2.gz YJRUQKRNGZWRPV-IHRRRGAJSA-N 2 0 242.407 1.810 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC[C@@H](C)O)C[C@@H]1C ZINC000336721340 170018239 /nfs/dbraw/zinc/01/82/39/170018239.db2.gz SODCCDZGGYBWSU-MJBXVCDLSA-N 2 0 242.407 1.952 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCCO)C[C@@H]1C ZINC000336677387 170018720 /nfs/dbraw/zinc/01/87/20/170018720.db2.gz NSXMXWMKSTTZJL-STQMWFEESA-N 2 0 228.380 1.564 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CCC(C)(C)O)[C@@H](C)C1 ZINC000336776242 170020212 /nfs/dbraw/zinc/02/02/12/170020212.db2.gz FFWPGSMREZODJT-RYUDHWBXSA-N 2 0 228.380 1.467 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CCOCC2CC2)[C@H](C)C1 ZINC000358078801 170020385 /nfs/dbraw/zinc/02/03/85/170020385.db2.gz DKAOYPZVBUKNAP-OCCSQVGLSA-N 2 0 240.391 1.733 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cn[nH]c2)[C@H](C)C1 ZINC000353623255 170021122 /nfs/dbraw/zinc/02/11/22/170021122.db2.gz BAAKEGWFPHYEMX-YPMHNXCESA-N 2 0 236.363 1.272 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)CCCCO)[C@@H](C)C1 ZINC000352785131 170021814 /nfs/dbraw/zinc/02/18/14/170021814.db2.gz ZIWIHXREJZKRBL-MJBXVCDLSA-N 2 0 242.407 1.857 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCSC2)[C@H](C)C1 ZINC000309046050 170022267 /nfs/dbraw/zinc/02/22/67/170022267.db2.gz OQFIGDHGNIYTMK-WOPDTQHZSA-N 2 0 228.405 1.812 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cnc3n2CCC3)C1 ZINC000657505117 411539988 /nfs/dbraw/zinc/53/99/88/411539988.db2.gz UTSMJCJEEKTNGF-TXEJJXNPSA-N 2 0 248.374 1.259 20 0 BDADRP CCN1C[C@H]([NH2+]CCCC[NH+](C)C)[C@@H](C)C1 ZINC000309611726 170035772 /nfs/dbraw/zinc/03/57/72/170035772.db2.gz BOXNRXSZFDPWAI-STQMWFEESA-N 2 0 227.396 1.258 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN2C(C)(C)C)CO1 ZINC000657526155 411543276 /nfs/dbraw/zinc/54/32/76/411543276.db2.gz BIXHVIIJGDNUNH-WOPDTQHZSA-N 2 0 226.364 1.626 20 0 BDADRP OC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCC1 ZINC000657559776 411550935 /nfs/dbraw/zinc/55/09/35/411550935.db2.gz QSRDEZGBZBLGKI-RDBSUJKOSA-N 2 0 238.375 1.364 20 0 BDADRP CC[NH2+]Cc1cccc(NC(=O)[C@H](C)C[NH2+]C)c1 ZINC000123592950 170128224 /nfs/dbraw/zinc/12/82/24/170128224.db2.gz IAOVMRFHYMMCTM-LLVKDONJSA-N 2 0 249.358 1.590 20 0 BDADRP CCOC(C)(C)C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000309616857 170313368 /nfs/dbraw/zinc/31/33/68/170313368.db2.gz DBUYMRZLLLYVCS-NEPJUHHUSA-N 2 0 228.380 1.731 20 0 BDADRP CCOC(C)(C)C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000309616870 170313508 /nfs/dbraw/zinc/31/35/08/170313508.db2.gz DBUYMRZLLLYVCS-RYUDHWBXSA-N 2 0 228.380 1.731 20 0 BDADRP CCOC1CC(CC[NH2+][C@@H]2CN(C)C[C@@H]2C)C1 ZINC000353242472 170323187 /nfs/dbraw/zinc/32/31/87/170323187.db2.gz YSXVUQHNFDELRO-GFJIZPEISA-N 2 0 240.391 1.731 20 0 BDADRP CCOC1CC(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC000367522368 170325494 /nfs/dbraw/zinc/32/54/94/170325494.db2.gz FAXRFCOBIGGCQM-AKJUYKBHSA-N 2 0 238.375 1.295 20 0 BDADRP CCOC1CC([NH2+][C@@H]2CCCN(C)[C@@H]2C)C1 ZINC000309648906 170328806 /nfs/dbraw/zinc/32/88/06/170328806.db2.gz NHMMBLKNJRYOKT-IKWCTNDRSA-N 2 0 226.364 1.626 20 0 BDADRP CCOCCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000336658807 170374819 /nfs/dbraw/zinc/37/48/19/170374819.db2.gz BFXSTWXBGJIGIW-NWDGAFQWSA-N 2 0 212.337 1.097 20 0 BDADRP CCOCCC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000120001970 170374881 /nfs/dbraw/zinc/37/48/81/170374881.db2.gz SPQJQGPXDYEWAX-GFCCVEGCSA-N 2 0 214.353 1.297 20 0 BDADRP CCOCCC[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000336683148 170375370 /nfs/dbraw/zinc/37/53/70/170375370.db2.gz SMYNXSGOLMLQMH-ZDUSSCGKSA-N 2 0 228.380 1.687 20 0 BDADRP CC[N@@H+]1CCCN(C[C@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000660790035 411632200 /nfs/dbraw/zinc/63/22/00/411632200.db2.gz TYIATRZBMVTPFJ-UONOGXRCSA-N 2 0 239.407 1.497 20 0 BDADRP Cc1noc(C)c1CC[N@@H+]1CCn2cncc2C1 ZINC000660582717 411603298 /nfs/dbraw/zinc/60/32/98/411603298.db2.gz YHDBXCQKHXHFTD-UHFFFAOYSA-N 2 0 246.314 1.546 20 0 BDADRP c1n[nH]cc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657811820 411603419 /nfs/dbraw/zinc/60/34/19/411603419.db2.gz HYAKKMBVYAXWAM-UHFFFAOYSA-N 2 0 248.374 1.621 20 0 BDADRP COCC[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660653552 411613724 /nfs/dbraw/zinc/61/37/24/411613724.db2.gz SOUINCKWJJIEBF-LBPRGKRZSA-N 2 0 212.337 1.051 20 0 BDADRP COCCCC[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660659799 411614019 /nfs/dbraw/zinc/61/40/19/411614019.db2.gz RIJTUUWEPTZYES-AWEZNQCLSA-N 2 0 240.391 1.831 20 0 BDADRP COCCC[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660656756 411614530 /nfs/dbraw/zinc/61/45/30/411614530.db2.gz XLQSOSTYFBEZFK-ZDUSSCGKSA-N 2 0 226.364 1.441 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@H]2COC3(CCC3)C2)CC1 ZINC000657872631 411614718 /nfs/dbraw/zinc/61/47/18/411614718.db2.gz OMQXAZSAZNSVAT-CYBMUJFWSA-N 2 0 238.375 1.629 20 0 BDADRP [NH3+]C[C@H](NC[C@@]12C[C@@H]1C[NH2+]C2)C1CCCCC1 ZINC000663493497 411673369 /nfs/dbraw/zinc/67/33/69/411673369.db2.gz IJUNWGUBWPRRGT-RDBSUJKOSA-N 2 0 237.391 1.093 20 0 BDADRP CCCN(C[C@@]12C[C@@H]1C[NH2+]C2)C1CC[NH2+]CC1 ZINC000663495189 411675880 /nfs/dbraw/zinc/67/58/80/411675880.db2.gz ODYFGCXZBZYECJ-OCCSQVGLSA-N 2 0 237.391 1.060 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+]C[C@]12C[C@H]1C[NH2+]C2 ZINC000663496203 411676608 /nfs/dbraw/zinc/67/66/08/411676608.db2.gz DGOPKVNMVRHUNB-GJZGRUSLSA-N 3 0 245.370 1.105 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+]CC23CC(C2)C[NH2+]3)CCO1 ZINC000663497109 411679941 /nfs/dbraw/zinc/67/99/41/411679941.db2.gz BUWNUDUPQHBDSA-DKNRTOFZSA-N 2 0 238.375 1.532 20 0 BDADRP COC1CCC([NH2+]CC23CC(C2)C[NH2+]3)CC1 ZINC000663499039 411680961 /nfs/dbraw/zinc/68/09/61/411680961.db2.gz VNPMZURTIKVZRF-UHFFFAOYSA-N 2 0 224.348 1.286 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H]3COC[C@H]3C2)CC[NH2+]1 ZINC000663500948 411683478 /nfs/dbraw/zinc/68/34/78/411683478.db2.gz QOAILJHHQHOHCB-AAVRWANBSA-N 2 0 238.375 1.343 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCO[C@@H]1C ZINC000663500709 411683578 /nfs/dbraw/zinc/68/35/78/411683578.db2.gz UCEKKVMLPWJALY-GMTAPVOTSA-N 2 0 200.326 1.127 20 0 BDADRP C(N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C12CC(C1)C[NH2+]2 ZINC000663499943 411683985 /nfs/dbraw/zinc/68/39/85/411683985.db2.gz GWRZOOIYKLPQOM-QFSHSQKFSA-N 2 0 249.402 1.249 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000663502505 411685717 /nfs/dbraw/zinc/68/57/17/411685717.db2.gz IAMVQTFLRJEYOL-SDDRHHMPSA-N 2 0 213.369 1.219 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CCCOCC1 ZINC000663502692 411686485 /nfs/dbraw/zinc/68/64/85/411686485.db2.gz KALZLQCGIANJBJ-NWDGAFQWSA-N 2 0 214.353 1.519 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000663503287 411688534 /nfs/dbraw/zinc/68/85/34/411688534.db2.gz NHZKVQFABMDTBZ-IGQOVBAYSA-N 3 0 239.407 1.338 20 0 BDADRP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000663510723 411693435 /nfs/dbraw/zinc/69/34/35/411693435.db2.gz RERJUKAYDPNDPX-TUAOUCFPSA-N 2 0 214.353 1.388 20 0 BDADRP C[C@H]1CN(c2[nH+]ccc3[nH]ccc32)C[C@H]1[NH+](C)C ZINC000663709296 411729770 /nfs/dbraw/zinc/72/97/70/411729770.db2.gz OPLSRUMGBGLING-GXFFZTMASA-N 2 0 244.342 1.949 20 0 BDADRP CCSCC[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000226422335 170633793 /nfs/dbraw/zinc/63/37/93/170633793.db2.gz AKWSTVFHFIXRPW-UWVGGRQHSA-N 2 0 202.367 1.409 20 0 BDADRP Cc1c[nH+]ccc1NCC[C@H](C)[NH+](C)C ZINC000664245562 411897427 /nfs/dbraw/zinc/89/74/27/411897427.db2.gz PSRRPMMIPXZFNF-NSHDSACASA-N 2 0 207.321 1.564 20 0 BDADRP Cc1ccnc(N(C)CC2C[NH+](C)C2)c1 ZINC000664331219 411922977 /nfs/dbraw/zinc/92/29/77/411922977.db2.gz OIDKDVBLWNWHBR-UHFFFAOYSA-N 2 0 205.305 1.388 20 0 BDADRP C[C@@H](O)[C@H]1CCC[N@@H+]1CCCn1ccnc1 ZINC000661767596 411879017 /nfs/dbraw/zinc/87/90/17/411879017.db2.gz MTARTRXPSSDUDP-VXGBXAGGSA-N 2 0 223.320 1.118 20 0 BDADRP Cc1cc(CN2CCC[C@@H]([C@@H](C)[NH3+])C2)ncn1 ZINC000662244971 412041532 /nfs/dbraw/zinc/04/15/32/412041532.db2.gz KHMLACWFYIJWMJ-VXGBXAGGSA-N 2 0 234.347 1.344 20 0 BDADRP C[C@@H]1CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662248805 412046207 /nfs/dbraw/zinc/04/62/07/412046207.db2.gz DHTKSBWJVXGOJL-NEPJUHHUSA-N 2 0 224.348 1.239 20 0 BDADRP C[C@H]([N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1)C(C)(C)C ZINC000662253134 412048977 /nfs/dbraw/zinc/04/89/77/412048977.db2.gz WLSDUSCUYILEOF-RYUDHWBXSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@H]1CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662254666 412050004 /nfs/dbraw/zinc/05/00/04/412050004.db2.gz SCQYDFNTPGUGDV-QWHCGFSZSA-N 2 0 238.375 1.629 20 0 BDADRP CC1(C)CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662255890 412051759 /nfs/dbraw/zinc/05/17/59/412051759.db2.gz SEVMSAIDQRYGPU-NSHDSACASA-N 2 0 224.348 1.239 20 0 BDADRP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1[C@H]2CC[C@@H]1CCC2 ZINC000662255414 412052107 /nfs/dbraw/zinc/05/21/07/412052107.db2.gz OZKKJVVAZYSICU-XQQFMLRXSA-N 2 0 236.359 1.524 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCO[C@H]1CC1(F)F ZINC000662264326 412053929 /nfs/dbraw/zinc/05/39/29/412053929.db2.gz ILDVDOVSIWGQNW-UTLUCORTSA-N 2 0 234.290 1.080 20 0 BDADRP CO[C@@H](C[NH2+][C@@H]1CC[NH2+]CC1(C)C)C1CCC1 ZINC000662275547 412067270 /nfs/dbraw/zinc/06/72/70/412067270.db2.gz BVXAROKVTMWQGG-QWHCGFSZSA-N 2 0 240.391 1.779 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C)C1CCC1 ZINC000662284606 412075132 /nfs/dbraw/zinc/07/51/32/412075132.db2.gz NTTILEGLYQYGFU-CYZMBNFOSA-N 2 0 226.364 1.613 20 0 BDADRP Cc1nc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)co1 ZINC000662283379 412075265 /nfs/dbraw/zinc/07/52/65/412075265.db2.gz NAZWOQHNGVPKQP-NSHDSACASA-N 2 0 249.358 1.947 20 0 BDADRP CC[C@H](C)C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000336744318 171283924 /nfs/dbraw/zinc/28/39/24/171283924.db2.gz ZDKSDIHDWWQJGQ-NSHDSACASA-N 2 0 214.353 1.079 20 0 BDADRP C[C@H]([NH3+])CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662292070 412082812 /nfs/dbraw/zinc/08/28/12/412082812.db2.gz LVJDLYHWRTXIBA-AAEUAGOBSA-N 2 0 225.380 1.045 20 0 BDADRP c1cc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)no1 ZINC000662295611 412083749 /nfs/dbraw/zinc/08/37/49/412083749.db2.gz VSIUZFACTQDNTQ-CYBMUJFWSA-N 2 0 249.358 1.886 20 0 BDADRP COCC1([N@H+](C)CC[C@@H]2CC[NH2+]C2)CC1 ZINC000662298503 412084567 /nfs/dbraw/zinc/08/45/67/412084567.db2.gz DNXYRBPTKAEEGX-NSHDSACASA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)[C@H](C)C1 ZINC000662297029 412084844 /nfs/dbraw/zinc/08/48/44/412084844.db2.gz XXWOWBXOVQGASQ-JHJVBQTASA-N 2 0 238.375 1.628 20 0 BDADRP CC[C@H](C)NC(=O)CC[NH2+][C@H](C)CCCC[NH3+] ZINC000336707454 171323489 /nfs/dbraw/zinc/32/34/89/171323489.db2.gz LTVKCSGGOMSIBU-NWDGAFQWSA-N 2 0 243.395 1.398 20 0 BDADRP CCc1nocc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000662285062 412078158 /nfs/dbraw/zinc/07/81/58/412078158.db2.gz VPOWXVIUZRIIRK-UHFFFAOYSA-N 2 0 237.347 1.798 20 0 BDADRP Cc1cc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])ncn1 ZINC000662286623 412078541 /nfs/dbraw/zinc/07/85/41/412078541.db2.gz SFXJATJYABIPKI-SMDDNHRTSA-N 2 0 248.374 1.734 20 0 BDADRP COC[C@H](C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+])OC ZINC000662285423 412078582 /nfs/dbraw/zinc/07/85/82/412078582.db2.gz JJFNYFSUVPYCRL-RWMBFGLXSA-N 2 0 244.379 1.097 20 0 BDADRP CC[C@H](C)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370638517 171347077 /nfs/dbraw/zinc/34/70/77/171347077.db2.gz XZYWYFMBFAXMOC-QWHCGFSZSA-N 2 0 239.407 1.543 20 0 BDADRP CC(C)(O)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291610 412080911 /nfs/dbraw/zinc/08/09/11/412080911.db2.gz JDTKSZZYKQBZOJ-ZDUSSCGKSA-N 2 0 240.391 1.469 20 0 BDADRP CC[C@H](C)[C@H](C)[N@H+](CCOCC[NH3+])C1CC1 ZINC000357079856 171386395 /nfs/dbraw/zinc/38/63/95/171386395.db2.gz LPMCUGVRVLDIMR-RYUDHWBXSA-N 2 0 228.380 1.861 20 0 BDADRP CC[C@H](C)[C@H](C[NH2+][C@@H](C)CCC[NH3+])OC ZINC000362977647 171393627 /nfs/dbraw/zinc/39/36/27/171393627.db2.gz SOMISLACCZEYTJ-SRVKXCTJSA-N 2 0 216.369 1.765 20 0 BDADRP CN(CCN1CC2CC1(C[NH3+])C2)c1ccccc1 ZINC000662304413 412088270 /nfs/dbraw/zinc/08/82/70/412088270.db2.gz RMMQVUDPCKJSPH-UHFFFAOYSA-N 2 0 245.370 1.546 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCC[C@H](CCF)C1 ZINC000662311632 412094292 /nfs/dbraw/zinc/09/42/92/412094292.db2.gz VCLMSDPYQHMQCE-LLVKDONJSA-N 2 0 202.317 1.668 20 0 BDADRP C[NH2+]CCC[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000662316040 412096070 /nfs/dbraw/zinc/09/60/70/412096070.db2.gz VWUGIPSXDAATMS-GFCCVEGCSA-N 2 0 212.337 1.098 20 0 BDADRP C[C@@H](N)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662315528 412096273 /nfs/dbraw/zinc/09/62/73/412096273.db2.gz HLOXFZFEIFPWHL-IJLUTSLNSA-N 2 0 213.369 1.173 20 0 BDADRP COCC[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313593 412096739 /nfs/dbraw/zinc/09/67/39/412096739.db2.gz JDEQMAAAOFKGAO-VXGBXAGGSA-N 2 0 214.353 1.472 20 0 BDADRP CC[C@H](C)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321249 412101413 /nfs/dbraw/zinc/10/14/13/412101413.db2.gz ABDOHHFZIOJOOE-QWHCGFSZSA-N 2 0 228.380 1.828 20 0 BDADRP C[C@H]([NH3+])C[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662327838 412104863 /nfs/dbraw/zinc/10/48/63/412104863.db2.gz WVMZNPUEXGNNHV-RWMBFGLXSA-N 2 0 224.348 1.226 20 0 BDADRP CC(C)(C)[N@@H+]1CC[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000665236551 412175665 /nfs/dbraw/zinc/17/56/65/412175665.db2.gz PBTGLNOITCSGRK-AGIUHOORSA-N 2 0 239.407 1.719 20 0 BDADRP Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000665272940 412214423 /nfs/dbraw/zinc/21/44/23/412214423.db2.gz NUJMXLDEZHPHBN-GLQYFDAESA-N 2 0 245.370 1.973 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000665236632 412176366 /nfs/dbraw/zinc/17/63/66/412176366.db2.gz QXFRTRHUONGNBT-UPJWGTAASA-N 2 0 239.407 1.447 20 0 BDADRP Cc1ccncc1CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000665238692 412179172 /nfs/dbraw/zinc/17/91/72/412179172.db2.gz ALSLZMABALRQRI-UKRRQHHQSA-N 2 0 247.386 1.910 20 0 BDADRP OC/C=C/C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000665238823 412180471 /nfs/dbraw/zinc/18/04/71/412180471.db2.gz FHRJUWKNMAAPBZ-HROLJSSSSA-N 2 0 224.348 1.045 20 0 BDADRP CO[C@@H](C)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000665244880 412188684 /nfs/dbraw/zinc/18/86/84/412188684.db2.gz YTTYLMAJYFGYSP-XDQVBPFNSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H]([NH2+]CC1([NH3+])CCCC1)[C@@H]1CCCO1 ZINC000665247977 412192236 /nfs/dbraw/zinc/19/22/36/412192236.db2.gz MXPNGGBNYFCZFZ-QWRGUYRKSA-N 2 0 212.337 1.415 20 0 BDADRP C[C@H](CCCCO)[NH2+]CC1([NH3+])CCCC1 ZINC000665247793 412192762 /nfs/dbraw/zinc/19/27/62/412192762.db2.gz JUDGPEILIJAVND-LLVKDONJSA-N 2 0 214.353 1.399 20 0 BDADRP C[C@H](Cc1cnccn1)[NH2+]CC1([NH3+])CCCC1 ZINC000665247270 412193212 /nfs/dbraw/zinc/19/32/12/412193212.db2.gz YYJZPLJJVRKJDF-LLVKDONJSA-N 2 0 234.347 1.269 20 0 BDADRP C[C@H]1C[C@@H](NCC2([NH3+])CCCC2)CC[N@@H+]1C ZINC000665249076 412195203 /nfs/dbraw/zinc/19/52/03/412195203.db2.gz JEHOFVHNWXNJMI-RYUDHWBXSA-N 2 0 225.380 1.330 20 0 BDADRP CC[C@H]([NH2+]C)C(=O)N(CC[NH+](C)C)CC(C)C ZINC000662524255 412203918 /nfs/dbraw/zinc/20/39/18/412203918.db2.gz KKHDHNYDUHZCEH-LBPRGKRZSA-N 2 0 243.395 1.031 20 0 BDADRP CC[C@@H](O)C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000665262330 412205228 /nfs/dbraw/zinc/20/52/28/412205228.db2.gz YSYJIDAWXDDHMJ-JHJVBQTASA-N 2 0 228.380 1.658 20 0 BDADRP Nc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000665272942 412213814 /nfs/dbraw/zinc/21/38/14/412213814.db2.gz NUJMXLDEZHPHBN-TUKIKUTGSA-N 2 0 245.370 1.973 20 0 BDADRP COC1CC(CC[NH2+][C@@H](C)C[C@@H](C)[NH3+])C1 ZINC000665229773 412168211 /nfs/dbraw/zinc/16/82/11/412168211.db2.gz CHOBACVEXJFRDT-QKEWWQLBSA-N 2 0 214.353 1.517 20 0 BDADRP COC1CC(CC[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000665229999 412168454 /nfs/dbraw/zinc/16/84/54/412168454.db2.gz HIAUORZUBYUDAK-ABXWRUBCSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc(N)c1 ZINC000665232367 412169786 /nfs/dbraw/zinc/16/97/86/412169786.db2.gz LTEGMTVIKICFIJ-RISCZKNCSA-N 2 0 233.359 1.747 20 0 BDADRP CC[C@@H]([NH2+]CC[C@H](COC)OC)[C@@H]1CCC[NH2+]1 ZINC000665234327 412171778 /nfs/dbraw/zinc/17/17/78/412171778.db2.gz BACSJDIDQZCQCS-UPJWGTAASA-N 2 0 244.379 1.158 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000422748080 412172663 /nfs/dbraw/zinc/17/26/63/412172663.db2.gz RVTYXAUTYQXZPN-CLPYTZEMSA-N 2 0 224.348 1.413 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1ccccn1 ZINC000665232953 412172865 /nfs/dbraw/zinc/17/28/65/412172865.db2.gz YHDOLIWAEJBFTI-YRGRVCCFSA-N 2 0 233.359 1.902 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC000422749564 412173080 /nfs/dbraw/zinc/17/30/80/412173080.db2.gz ZSCDLZRHGXTZAR-ABLIHOLZSA-N 2 0 224.348 1.413 20 0 BDADRP CO[C@H](C[NH2+][C@@H](C)CCCC[NH3+])[C@H]1CCOC1 ZINC000665234427 412174415 /nfs/dbraw/zinc/17/44/15/412174415.db2.gz CPZLUMLRNMLUOI-RWMBFGLXSA-N 2 0 244.379 1.145 20 0 BDADRP [NH3+][C@@H](C(=O)NCC1([NH3+])CCCC1)c1ccccc1 ZINC000662654561 412258451 /nfs/dbraw/zinc/25/84/51/412258451.db2.gz JISSZZCBVGEISM-GFCCVEGCSA-N 2 0 247.342 1.074 20 0 BDADRP CCC[N@@H+]1CC[C@@H](N[C@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000665274303 412216940 /nfs/dbraw/zinc/21/69/40/412216940.db2.gz NEFRJFHHLQVUGP-MCIONIFRSA-N 2 0 239.407 1.591 20 0 BDADRP CCC[N@@H+]1CC[C@@H](N[C@@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000665274305 412217345 /nfs/dbraw/zinc/21/73/45/412217345.db2.gz NEFRJFHHLQVUGP-MJBXVCDLSA-N 2 0 239.407 1.591 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC000665279985 412224121 /nfs/dbraw/zinc/22/41/21/412224121.db2.gz QUGQVWIKVSTXKP-CMOBGSAGSA-N 2 0 224.348 1.286 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000665281167 412226972 /nfs/dbraw/zinc/22/69/72/412226972.db2.gz WJQAOYJUSJIAGU-YRGRVCCFSA-N 2 0 239.407 1.575 20 0 BDADRP CN(CC(C)(C)[NH3+])C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000662604063 412236094 /nfs/dbraw/zinc/23/60/94/412236094.db2.gz AASWAJQAXDTUJT-UHFFFAOYSA-N 2 0 247.342 1.099 20 0 BDADRP C[NH2+]C[C@H](C)N[C@H](C)Cc1ccc(OC)nc1 ZINC000665298048 412243981 /nfs/dbraw/zinc/24/39/81/412243981.db2.gz QWSIEUZRPVLNOF-MNOVXSKESA-N 2 0 237.347 1.219 20 0 BDADRP C[NH2+]C[C@H](C)N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000665297439 412243989 /nfs/dbraw/zinc/24/39/89/412243989.db2.gz FZVMNMOGKIIYDL-IGQOVBAYSA-N 2 0 239.407 1.495 20 0 BDADRP FCCOCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000665299979 412247580 /nfs/dbraw/zinc/24/75/80/412247580.db2.gz VWOKHWSEYUXEQJ-UPJWGTAASA-N 2 0 244.354 1.483 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CCOCCF ZINC000665299855 412247881 /nfs/dbraw/zinc/24/78/81/412247881.db2.gz ULJVDSFEWZEOMJ-JTQLQIEISA-N 2 0 206.305 1.080 20 0 BDADRP CCn1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cn1 ZINC000250332524 172167016 /nfs/dbraw/zinc/16/70/16/172167016.db2.gz GDPNKRQUGJPDFD-MNOVXSKESA-N 2 0 222.336 1.072 20 0 BDADRP C[N@H+](CCc1ccccn1)CC1CC[NH2+]CC1 ZINC000020074288 172784029 /nfs/dbraw/zinc/78/40/29/172784029.db2.gz BDTHWOVVQZXWPU-UHFFFAOYSA-N 2 0 233.359 1.556 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@](C)(O)C1 ZINC000300332537 173004521 /nfs/dbraw/zinc/00/45/21/173004521.db2.gz MFJAAVYXFPUNKI-OLZOCXBDSA-N 2 0 226.364 1.318 20 0 BDADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1C[C@@H](O)C2(CC2)C1 ZINC000335681851 173008284 /nfs/dbraw/zinc/00/82/84/173008284.db2.gz QNYUVEXMGQYKIH-QWHCGFSZSA-N 2 0 238.375 1.318 20 0 BDADRP C[N@@H+]1CCCN(C(=O)CCCCCC[NH3+])CC1 ZINC000020217857 173011971 /nfs/dbraw/zinc/01/19/71/173011971.db2.gz MJYKCWQKUMACLS-UHFFFAOYSA-N 2 0 241.379 1.060 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(CO)CC1 ZINC000305100213 173029427 /nfs/dbraw/zinc/02/94/27/173029427.db2.gz BDTUDDKTOQYZJV-CYBMUJFWSA-N 2 0 226.364 1.175 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](CO)C1 ZINC000305635255 173029436 /nfs/dbraw/zinc/02/94/36/173029436.db2.gz GVXPOWVMAYHYKU-CHWSQXEVSA-N 2 0 226.364 1.175 20 0 BDADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H]3CCOC3)CC[C@@H]21 ZINC000336712388 173035470 /nfs/dbraw/zinc/03/54/70/173035470.db2.gz RWSBANOOBFVENB-MCIONIFRSA-N 2 0 238.375 1.439 20 0 BDADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCc3cn[nH]c3)CC[C@@H]21 ZINC000334790424 173036339 /nfs/dbraw/zinc/03/63/39/173036339.db2.gz YCJQTEOCECGENG-KGLIPLIRSA-N 2 0 248.374 1.368 20 0 BDADRP C[N@H+](C[C@H]1CCC[NH+](C)C1)CC1(C)COC1 ZINC000336698576 173040049 /nfs/dbraw/zinc/04/00/49/173040049.db2.gz JKRBOTHAUYWBTA-LBPRGKRZSA-N 2 0 226.364 1.297 20 0 BDADRP C[N@H+](CCc1ccccn1)C[C@H]1CCC[NH+](C)C1 ZINC000152426971 173041330 /nfs/dbraw/zinc/04/13/30/173041330.db2.gz LWTIZKUZKRJYCP-AWEZNQCLSA-N 2 0 247.386 1.898 20 0 BDADRP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1CCOC1 ZINC000336554753 173041557 /nfs/dbraw/zinc/04/15/57/173041557.db2.gz BJDRSPMXRBPURG-NWDGAFQWSA-N 2 0 212.337 1.049 20 0 BDADRP C[N@@H+]1CCC[C@H](N2CC[NH+](C3CCC3)CC2)C1 ZINC000374281660 173044448 /nfs/dbraw/zinc/04/44/48/173044448.db2.gz BBXMKCGSRKHVPC-AWEZNQCLSA-N 2 0 237.391 1.251 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC2(CCO2)CC1 ZINC000367245647 173051924 /nfs/dbraw/zinc/05/19/24/173051924.db2.gz ZLUMFMKRPTWELW-ZDUSSCGKSA-N 2 0 238.375 1.726 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](O)C1(C)C ZINC000335722224 173052812 /nfs/dbraw/zinc/05/28/12/173052812.db2.gz WGEJNZYDGUINPI-NWDGAFQWSA-N 2 0 226.364 1.316 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCC(C)(C)O)C2)C1 ZINC000309274828 173137959 /nfs/dbraw/zinc/13/79/59/173137959.db2.gz DOVKKOFCONLSOM-CYBMUJFWSA-N 2 0 226.364 1.175 20 0 BDADRP Cn1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000353515949 173153003 /nfs/dbraw/zinc/15/30/03/173153003.db2.gz IVDPYTGESSGNFD-ILXRZTDVSA-N 2 0 247.386 1.988 20 0 BDADRP Cn1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000353515950 173153498 /nfs/dbraw/zinc/15/34/98/173153498.db2.gz IVDPYTGESSGNFD-KKUMJFAQSA-N 2 0 247.386 1.988 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+](CCc3ccncc3)C2)C1 ZINC000292155324 173166831 /nfs/dbraw/zinc/16/68/31/173166831.db2.gz NYBVMDZFFUYKRC-HNNXBMFYSA-N 2 0 245.370 1.652 20 0 BDADRP C[NH2+]C1CC[NH+](C[C@H]2CCSC2)CC1 ZINC000228576535 173322704 /nfs/dbraw/zinc/32/27/04/173322704.db2.gz KSYSLTUSIUDELX-SNVBAGLBSA-N 2 0 214.378 1.423 20 0 BDADRP C[NH2+]C1CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC000223641004 173323076 /nfs/dbraw/zinc/32/30/76/173323076.db2.gz SJRXBTFIDSKYPF-ZDUSSCGKSA-N 2 0 226.364 1.629 20 0 BDADRP C[NH2+]CCCC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000237198400 173344416 /nfs/dbraw/zinc/34/44/16/173344416.db2.gz YZLYLBMJOKFZNT-LBPRGKRZSA-N 2 0 241.379 1.010 20 0 BDADRP C[NH2+]CCC[NH2+]C[C@@H](C)c1ccccc1 ZINC000010435508 173349184 /nfs/dbraw/zinc/34/91/84/173349184.db2.gz NHDRMFQVTZVFDA-GFCCVEGCSA-N 2 0 206.333 1.989 20 0 BDADRP C[NH2+]CCN(C)C(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000131770186 173351883 /nfs/dbraw/zinc/35/18/83/173351883.db2.gz MEZFOOJVSSWFJT-AAEUAGOBSA-N 2 0 249.358 1.000 20 0 BDADRP C[NH2+]C[C@H]1CCCN1CCOc1ccccc1 ZINC000019933431 173379765 /nfs/dbraw/zinc/37/97/65/173379765.db2.gz YKLQQWTWNYGEBI-CYBMUJFWSA-N 2 0 234.343 1.749 20 0 BDADRP C[NH2+]C[C@H]1CCCN1CCOC(C)C ZINC000042390567 173380247 /nfs/dbraw/zinc/38/02/47/173380247.db2.gz KSHLHPZBQDNEMT-LLVKDONJSA-N 2 0 200.326 1.095 20 0 BDADRP COC1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000062911155 174028041 /nfs/dbraw/zinc/02/80/41/174028041.db2.gz QPBQNIVLAFMOSD-LBPRGKRZSA-N 2 0 212.337 1.097 20 0 BDADRP COCC(C)(C)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357058748 174069841 /nfs/dbraw/zinc/06/98/41/174069841.db2.gz WEKRXNQXJVZTDD-VXGBXAGGSA-N 2 0 226.364 1.200 20 0 BDADRP COCC(C)(C)CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000348167238 174070367 /nfs/dbraw/zinc/07/03/67/174070367.db2.gz OXVFYXZQFRTULQ-NWDGAFQWSA-N 2 0 226.364 1.343 20 0 BDADRP COCC(C)(C)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000336651015 174076181 /nfs/dbraw/zinc/07/61/81/174076181.db2.gz HUCJJMIUJGEALW-NEPJUHHUSA-N 2 0 228.380 1.731 20 0 BDADRP COCC1(C[NH2+]C[C@@H]2C[C@@H]2C)CC[NH2+]CC1 ZINC000234712485 174103009 /nfs/dbraw/zinc/10/30/09/174103009.db2.gz HOSPFNJABALIJQ-RYUDHWBXSA-N 2 0 226.364 1.248 20 0 BDADRP COCC1(C[NH2+][C@@H]2CC[C@H](C)C2)CC[NH2+]CC1 ZINC000234714785 174105585 /nfs/dbraw/zinc/10/55/85/174105585.db2.gz UGHXYFNGRQFAPM-QWHCGFSZSA-N 2 0 240.391 1.781 20 0 BDADRP COCCC1(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000234889330 174156706 /nfs/dbraw/zinc/15/67/06/174156706.db2.gz PQXAZYAFSFPBTG-VXGBXAGGSA-N 2 0 226.364 1.520 20 0 BDADRP COCCCCC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000122699636 174184048 /nfs/dbraw/zinc/18/40/48/174184048.db2.gz FKIYHWQJFINXCH-OLZOCXBDSA-N 2 0 228.380 1.733 20 0 BDADRP COCCC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000372991268 174227487 /nfs/dbraw/zinc/22/74/87/174227487.db2.gz UAGUPIAGYQALCE-GFCCVEGCSA-N 2 0 214.353 1.439 20 0 BDADRP COCCC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000336706764 174232873 /nfs/dbraw/zinc/23/28/73/174232873.db2.gz OGWOTPVEKXUZQY-CQSZACIVSA-N 2 0 240.391 1.687 20 0 BDADRP COCCC[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000300929708 174251397 /nfs/dbraw/zinc/25/13/97/174251397.db2.gz ZQVHLQVCIVAABO-JTQLQIEISA-N 2 0 200.326 1.001 20 0 BDADRP COCCC[C@H](C)[NH2+]CCCC[NH+](C)C ZINC000309037139 174263277 /nfs/dbraw/zinc/26/32/77/174263277.db2.gz IVGYHCXOJCNCKF-LBPRGKRZSA-N 2 0 216.369 1.733 20 0 BDADRP COCC[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000336643520 174275200 /nfs/dbraw/zinc/27/52/00/174275200.db2.gz CSKHRRRHGGYTJO-UHFFFAOYSA-N 2 0 214.353 1.437 20 0 BDADRP COCC[N@H+](CC(C)C)C[C@@]1(C)CC[NH2+]C1 ZINC000062911888 174286777 /nfs/dbraw/zinc/28/67/77/174286777.db2.gz TWMWNZCMBOTQLW-ZDUSSCGKSA-N 2 0 228.380 1.590 20 0 BDADRP COCC[N@H+](CC(C)C)C[C@@H]([NH3+])CC(C)C ZINC000042370829 174287287 /nfs/dbraw/zinc/28/72/87/174287287.db2.gz FGKIVBQNRAQZIH-ZDUSSCGKSA-N 2 0 230.396 1.964 20 0 BDADRP COCC[N@H+](C[C@H]1CC[NH2+][C@@H](C)C1)C1CC1 ZINC000234763055 174297254 /nfs/dbraw/zinc/29/72/54/174297254.db2.gz MBAKWNSZSLGKAI-RYUDHWBXSA-N 2 0 226.364 1.485 20 0 BDADRP CO[C@@H]1C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])C1(C)C ZINC000309378310 174774378 /nfs/dbraw/zinc/77/43/78/174774378.db2.gz QOWZSHGHFWLKBY-QJPTWQEYSA-N 2 0 228.380 1.907 20 0 BDADRP COc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cn1 ZINC000162224480 175110111 /nfs/dbraw/zinc/11/01/11/175110111.db2.gz JBTNUVQGUHRAPF-GFCCVEGCSA-N 2 0 235.331 1.322 20 0 BDADRP COc1cccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000132178969 175264814 /nfs/dbraw/zinc/26/48/14/175264814.db2.gz BFSXSTSBLRPHIT-CYBMUJFWSA-N 2 0 234.343 1.784 20 0 BDADRP COc1cccc(C[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000132179116 175265844 /nfs/dbraw/zinc/26/58/44/175265844.db2.gz BFSXSTSBLRPHIT-ZDUSSCGKSA-N 2 0 234.343 1.784 20 0 BDADRP COc1ccccc1C[NH2+][C@H](C)CCC[NH3+] ZINC000336647241 175330451 /nfs/dbraw/zinc/33/04/51/175330451.db2.gz FKRXIWIOBXSTCM-LLVKDONJSA-N 2 0 222.332 1.912 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000336704598 175666378 /nfs/dbraw/zinc/66/63/78/175666378.db2.gz KXTUEKSKRJIDCS-WCQYABFASA-N 2 0 234.343 1.707 20 0 BDADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC1(C)COC1 ZINC000094721562 175766618 /nfs/dbraw/zinc/76/66/18/175766618.db2.gz LPXIOVKUOGVBRA-STQMWFEESA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)CN(C)C ZINC000037880232 176088211 /nfs/dbraw/zinc/08/82/11/176088211.db2.gz UMEQOBPSLIPMFH-GRYCIOLGSA-N 2 0 214.353 1.077 20 0 BDADRP C[C@@H]1CCN(C)CC[N@@H+]1CC1CC[NH2+]CC1 ZINC000336363462 176167321 /nfs/dbraw/zinc/16/73/21/176167321.db2.gz BEOHRHRTSNKKRM-GFCCVEGCSA-N 2 0 225.380 1.012 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000333348172 176185447 /nfs/dbraw/zinc/18/54/47/176185447.db2.gz ZSTGRBNPLJMOMB-VOAKCMCISA-N 3 0 225.380 1.234 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000331948043 176185597 /nfs/dbraw/zinc/18/55/97/176185597.db2.gz GYYNWEHXFUIDFA-QZKOUSHUSA-N 2 0 245.370 1.719 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CCOCC[NH+](C)C)C[C@H]1C ZINC000300421019 176213653 /nfs/dbraw/zinc/21/36/53/176213653.db2.gz COVYQVZPPVGPAQ-MGPQQGTHSA-N 2 0 242.407 1.979 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000309775166 176269827 /nfs/dbraw/zinc/26/98/27/176269827.db2.gz LNBQMGYWEPZYHX-KOLCDFICSA-N 2 0 232.318 1.962 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](O)C(C)(C)C ZINC000305159224 176279671 /nfs/dbraw/zinc/27/96/71/176279671.db2.gz WOIXXHIVVGLFBR-LPWJVIDDSA-N 2 0 242.407 1.712 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@]1(C)CCOC1 ZINC000361401054 176279764 /nfs/dbraw/zinc/27/97/64/176279764.db2.gz UYLGNUZIYYVCEN-SYQHCUMBSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@@H]1C[N@H+](CCCCCF)CC[C@H]1[NH3+] ZINC000336678097 176287794 /nfs/dbraw/zinc/28/77/94/176287794.db2.gz DWBVGVGAMCJXDS-GHMZBOCLSA-N 2 0 202.317 1.795 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)C[C@@H]1CO ZINC000362090247 176292222 /nfs/dbraw/zinc/29/22/22/176292222.db2.gz MKNWXNBSLNWIGJ-UPJWGTAASA-N 2 0 226.364 1.031 20 0 BDADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC[C@@H]1CC[NH2+]C1 ZINC000094462332 176322362 /nfs/dbraw/zinc/32/23/62/176322362.db2.gz AWCQOOOYMZRYMO-HZSPNIEDSA-N 2 0 237.391 1.155 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000332031905 176328016 /nfs/dbraw/zinc/32/80/16/176328016.db2.gz SZCWABCKDALOMM-SDJAHQOYSA-N 2 0 245.370 1.719 20 0 BDADRP C[C@@H]1COCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000051919007 176336060 /nfs/dbraw/zinc/33/60/60/176336060.db2.gz DGLNBRMGYRDOSQ-NEPJUHHUSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCN2CCCC[C@@H]12 ZINC000310059686 176342436 /nfs/dbraw/zinc/34/24/36/176342436.db2.gz JZDGJALIDLUTGY-RFGFWPKPSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000304370212 176354107 /nfs/dbraw/zinc/35/41/07/176354107.db2.gz FVGHEBHJPFAQHY-VOAKCMCISA-N 2 0 240.416 1.954 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2=CCCOC2)CC[N@@H+]1C ZINC000309660049 176374606 /nfs/dbraw/zinc/37/46/06/176374606.db2.gz ASCXPOCDAAOIFU-YPMHNXCESA-N 2 0 224.348 1.405 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCCSCC2)CC[NH2+]1 ZINC000235368026 176413101 /nfs/dbraw/zinc/41/31/01/176413101.db2.gz XNUNOABKVPJHDB-VXGBXAGGSA-N 2 0 228.405 1.813 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CCOC1CCCC1 ZINC000308801027 176620104 /nfs/dbraw/zinc/62/01/04/176620104.db2.gz DQYNSVGKYIPYTG-LLVKDONJSA-N 2 0 214.353 1.663 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](C)c2cccnc2)C1 ZINC000226537544 176768855 /nfs/dbraw/zinc/76/88/55/176768855.db2.gz SPJDVLDEMCRTLK-GMXVVIOVSA-N 2 0 219.332 1.812 20 0 BDADRP C[C@H]([NH2+]CCn1cccn1)C1CC[NH+](C)CC1 ZINC000042539349 176855449 /nfs/dbraw/zinc/85/54/49/176855449.db2.gz HUSIVFUDWQWDQR-LBPRGKRZSA-N 2 0 236.363 1.203 20 0 BDADRP C[C@H](c1ccccn1)[N@H+](C)CCn1ccnc1 ZINC000162417372 177042747 /nfs/dbraw/zinc/04/27/47/177042747.db2.gz VHHIBYGCTDINCX-GFCCVEGCSA-N 2 0 230.315 1.971 20 0 BDADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+]CCOCC[NH+](C)C)C1 ZINC000300635099 177184196 /nfs/dbraw/zinc/18/41/96/177184196.db2.gz VIBNLYUZRVKNHT-HZSPNIEDSA-N 2 0 242.407 1.979 20 0 BDADRP C[C@H]1C[N@H+](CCC[NH2+]CC2CC2)CCCO1 ZINC000309752010 177248957 /nfs/dbraw/zinc/24/89/57/177248957.db2.gz GYVIFZHLWILBOM-LBPRGKRZSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@@H](C)C2)CC[NH2+]1 ZINC000235381811 177258856 /nfs/dbraw/zinc/25/88/56/177258856.db2.gz MCHVJSQFGCFSFL-WOPDTQHZSA-N 2 0 212.337 1.095 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccc3c(c2)CCO3)CC[C@@H]1[NH3+] ZINC000094339194 177263046 /nfs/dbraw/zinc/26/30/46/177263046.db2.gz DWOCUSGNTOAVIR-FZMZJTMJSA-N 2 0 246.354 1.791 20 0 BDADRP C[C@H]1C[C@@H](C[N@H+](C)Cc2cccnc2)CC[NH2+]1 ZINC000235697947 177323315 /nfs/dbraw/zinc/32/33/15/177323315.db2.gz ZRBXBSPSLCKLNR-STQMWFEESA-N 2 0 233.359 1.902 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCCCF)CC[N@@H+]1C ZINC000308475509 177368828 /nfs/dbraw/zinc/36/88/28/177368828.db2.gz DLVXOFQHSJFKII-WDEREUQCSA-N 2 0 202.317 1.808 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCc2nccs2)CC[N@@H+]1C ZINC000127840283 177370698 /nfs/dbraw/zinc/37/06/98/177370698.db2.gz IPLFDPLRWVTZTH-WDEREUQCSA-N 2 0 239.388 1.758 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000309766148 177371285 /nfs/dbraw/zinc/37/12/85/177371285.db2.gz NTCQBSJPJQBIHT-FRRDWIJNSA-N 2 0 228.380 1.610 20 0 BDADRP C[C@H]1Cc2ccccc2C[N@@H+]1CCOCC[NH3+] ZINC000357090984 177389779 /nfs/dbraw/zinc/38/97/79/177389779.db2.gz VPUKBOGCWZWHRT-LBPRGKRZSA-N 2 0 234.343 1.409 20 0 BDADRP C[C@]1(C[NH2+]C[C@@H]2CCCCO2)CC[NH2+]C1 ZINC000062912051 177463306 /nfs/dbraw/zinc/46/33/06/177463306.db2.gz FOJFSDNPZGRIHB-RYUDHWBXSA-N 2 0 212.337 1.145 20 0 BDADRP CCOCCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000087325962 487640869 /nfs/dbraw/zinc/64/08/69/487640869.db2.gz IUBKRRVESYVQJA-KGLIPLIRSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@H]1CN(C2CC2)C[C@H]1[NH2+][C@H]1CC[C@H](O)CC1 ZINC000493601509 226245604 /nfs/dbraw/zinc/24/56/04/226245604.db2.gz IHTDUQYDWLHYMO-AUZPSNTRSA-N 2 0 238.375 1.362 20 0 BDADRP COCC(C)(C)C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000494363887 226264311 /nfs/dbraw/zinc/26/43/11/226264311.db2.gz CYGWXSPWSJLHAR-LBPRGKRZSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H](N[C@@H](C)[C@H]1CCC[NH2+]1)c1cn[nH]c1 ZINC000400381303 226342547 /nfs/dbraw/zinc/34/25/47/226342547.db2.gz KIUFVYQYKOHKHX-ATZCPNFKSA-N 2 0 208.309 1.201 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401005579 226352584 /nfs/dbraw/zinc/35/25/84/226352584.db2.gz DFXRUEDIUMDRAI-XJFOESAGSA-N 2 0 248.374 1.249 20 0 BDADRP Cc1nocc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000507214173 226367561 /nfs/dbraw/zinc/36/75/61/226367561.db2.gz QBIBCQYGORVXSA-UHFFFAOYSA-N 2 0 237.347 1.757 20 0 BDADRP CCC[NH2+]CC[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000643515089 487661879 /nfs/dbraw/zinc/66/18/79/487661879.db2.gz BMUCJHWBYKJQQS-NEPJUHHUSA-N 2 0 214.353 1.533 20 0 BDADRP Cn1cncc1CCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000314961868 487668964 /nfs/dbraw/zinc/66/89/64/487668964.db2.gz VMINSILHOCEJIC-JSGCOSHPSA-N 2 0 248.374 1.037 20 0 BDADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662605287 487668721 /nfs/dbraw/zinc/66/87/21/487668721.db2.gz LNQZCDXFVVISRN-JTQLQIEISA-N 2 0 243.395 1.206 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)O1 ZINC000228536206 487672165 /nfs/dbraw/zinc/67/21/65/487672165.db2.gz QLQLWIOACUPGDD-XVIXHAIJSA-N 2 0 238.375 1.613 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](C)OC)[C@H](C)C1 ZINC000188119195 487679525 /nfs/dbraw/zinc/67/95/25/487679525.db2.gz MVYMPXPVNGPWEO-IJLUTSLNSA-N 2 0 214.353 1.341 20 0 BDADRP CC(C)CN(CC[NH+](C)C)C(=O)C[NH2+]C(C)C ZINC000037825194 487682074 /nfs/dbraw/zinc/68/20/74/487682074.db2.gz DFOLCQFABAJKST-UHFFFAOYSA-N 2 0 243.395 1.031 20 0 BDADRP Cc1nc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)co1 ZINC000383985827 487686048 /nfs/dbraw/zinc/68/60/48/487686048.db2.gz KQEKLCVAYHXYNL-TXEJJXNPSA-N 2 0 235.331 1.414 20 0 BDADRP Cc1cncc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000228622795 487696333 /nfs/dbraw/zinc/69/63/33/487696333.db2.gz BVKWSKHIMZGGMB-YPMHNXCESA-N 2 0 219.332 1.559 20 0 BDADRP C[C@@H](CCCC[NH3+])NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000653141951 487701645 /nfs/dbraw/zinc/70/16/45/487701645.db2.gz TXLNXKMKSJLZNR-SDDRHHMPSA-N 2 0 241.379 1.138 20 0 BDADRP CC[C@H](C)C[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000088297954 487717256 /nfs/dbraw/zinc/71/72/56/487717256.db2.gz YEFDFEMXLICZAT-IHRRRGAJSA-N 2 0 242.407 1.857 20 0 BDADRP C(CC1CCOCC1)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000681111822 487730220 /nfs/dbraw/zinc/73/02/20/487730220.db2.gz LURCMAFWYSNVNB-OKILXGFUSA-N 2 0 238.375 1.344 20 0 BDADRP CC[C@H](C)[N@H+](C)CCNC(=O)CCC(C)(C)[NH3+] ZINC000226396846 487731129 /nfs/dbraw/zinc/73/11/29/487731129.db2.gz PRYCVNYJQIXIOI-NSHDSACASA-N 2 0 243.395 1.350 20 0 BDADRP CCOCCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250493200 487733309 /nfs/dbraw/zinc/73/33/09/487733309.db2.gz IUBKRRVESYVQJA-UONOGXRCSA-N 2 0 240.391 1.877 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC[C@H]2CCCO2)C1 ZINC000250682087 487738895 /nfs/dbraw/zinc/73/88/95/487738895.db2.gz YVIHUZFQQRTMJU-GRYCIOLGSA-N 2 0 212.337 1.415 20 0 BDADRP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)[nH]n1 ZINC000671748173 487743028 /nfs/dbraw/zinc/74/30/28/487743028.db2.gz JZYJZLUANHRDHB-MGPQQGTHSA-N 2 0 248.374 1.681 20 0 BDADRP CCOC1CC[NH+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000233782461 487743625 /nfs/dbraw/zinc/74/36/25/487743625.db2.gz LUGGUGMBKRTBFT-QWHCGFSZSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)[nH]n1 ZINC000671748171 487743249 /nfs/dbraw/zinc/74/32/49/487743249.db2.gz JZYJZLUANHRDHB-BFHYXJOUSA-N 2 0 248.374 1.681 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H]2CCOC2)CC[C@@H]1[NH3+] ZINC000157890645 487761212 /nfs/dbraw/zinc/76/12/12/487761212.db2.gz VDFJSUUYPJRFCB-TUAOUCFPSA-N 2 0 212.337 1.082 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@H]2CCC[C@@H]2O)CC1 ZINC000089165835 487764179 /nfs/dbraw/zinc/76/41/79/487764179.db2.gz AODIOPFSUKHNSD-OCCSQVGLSA-N 2 0 240.391 1.611 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC000223649527 487788638 /nfs/dbraw/zinc/78/86/38/487788638.db2.gz KWTCGFSWGBFBBW-RYUDHWBXSA-N 2 0 212.337 1.226 20 0 BDADRP CC[C@@H]1C[N@@H+]([C@@H](C)COC)CC[C@H]1[NH3+] ZINC000251728601 487792728 /nfs/dbraw/zinc/79/27/28/487792728.db2.gz KHFKDFUCOOHEBR-HBNTYKKESA-N 2 0 200.326 1.081 20 0 BDADRP CC[C@@H]1C[N@H+](Cc2cnccc2C)CC[C@H]1[NH3+] ZINC000251733248 487793525 /nfs/dbraw/zinc/79/35/25/487793525.db2.gz KMTSZHUHSKIESE-TZMCWYRMSA-N 2 0 233.359 1.949 20 0 BDADRP C[C@@H]([NH2+][C@H]1C[C@@](C)(O)C1)C1CC[NH+](C)CC1 ZINC000669427626 487818114 /nfs/dbraw/zinc/81/81/14/487818114.db2.gz NQQTWTVUZQAEGH-RTXFEEFZSA-N 2 0 226.364 1.220 20 0 BDADRP CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)CCC[NH3+] ZINC000414702202 487818787 /nfs/dbraw/zinc/81/87/87/487818787.db2.gz HTRCEOKNODABCM-NWDGAFQWSA-N 2 0 228.380 1.861 20 0 BDADRP C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000307587420 487819677 /nfs/dbraw/zinc/81/96/77/487819677.db2.gz TXQUJQUDJHWLLK-NAKRPEOUSA-N 2 0 214.378 1.740 20 0 BDADRP [NH3+]CCC[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000414731837 487820192 /nfs/dbraw/zinc/82/01/92/487820192.db2.gz BCABIIKEPIVRGQ-MRVPVSSYSA-N 2 0 210.243 1.610 20 0 BDADRP COCC[N@H+](CCC[NH3+])[C@@H]1CCCSC1 ZINC000414757729 487822375 /nfs/dbraw/zinc/82/23/75/487822375.db2.gz BKORGPAPBICPRJ-LLVKDONJSA-N 2 0 232.393 1.179 20 0 BDADRP Cc1ccc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)cn1 ZINC000414899642 487827631 /nfs/dbraw/zinc/82/76/31/487827631.db2.gz CQBWTRMKBCUTKI-AWEZNQCLSA-N 2 0 233.359 1.869 20 0 BDADRP C[C@H](c1ccncc1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252699133 487829760 /nfs/dbraw/zinc/82/97/60/487829760.db2.gz RGLYGXPXPRZNHJ-UTUOFQBUSA-N 2 0 219.332 1.812 20 0 BDADRP COCc1cc(C[NH2+]CCC[NH3+])ccc1F ZINC000415086891 487836189 /nfs/dbraw/zinc/83/61/89/487836189.db2.gz VGMUXLWIGQUZKF-UHFFFAOYSA-N 2 0 226.295 1.411 20 0 BDADRP [NH3+]CCC[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000415082571 487836107 /nfs/dbraw/zinc/83/61/07/487836107.db2.gz MFTGMHTYFUUQTG-UHFFFAOYSA-N 2 0 244.342 1.370 20 0 BDADRP C[C@H](COc1cccc(F)c1)[NH2+]CCC[NH3+] ZINC000415082812 487836526 /nfs/dbraw/zinc/83/65/26/487836526.db2.gz OWMHHFJIRNMJKT-SNVBAGLBSA-N 2 0 226.295 1.531 20 0 BDADRP BrC1(CN2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000846777041 588287669 /nfs/dbraw/zinc/28/76/69/588287669.db2.gz CLFMYJYCPLRZNU-DTORHVGOSA-N 2 0 245.164 1.065 20 0 BDADRP COCCCCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000234623304 487844634 /nfs/dbraw/zinc/84/46/34/487844634.db2.gz JFWGBVVRZHNWDU-VXGBXAGGSA-N 2 0 214.353 1.663 20 0 BDADRP CC[N@H+](C[C@@H]1CCOC1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000666623358 487847774 /nfs/dbraw/zinc/84/77/74/487847774.db2.gz OYTCHZAQXWIYOJ-MCIONIFRSA-N 2 0 240.391 1.733 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@H](C)COC)CC[C@H]1[NH3+] ZINC000253110287 487851132 /nfs/dbraw/zinc/85/11/32/487851132.db2.gz GAWKFIDWUXGHQU-QJPTWQEYSA-N 2 0 214.353 1.328 20 0 BDADRP Cc1cn2c(n1)CN(C[C@H]1CC[NH2+][C@H](C)C1)CC2 ZINC000666699044 487861769 /nfs/dbraw/zinc/86/17/69/487861769.db2.gz CFFCDUCNLVGHPO-YPMHNXCESA-N 2 0 248.374 1.395 20 0 BDADRP CC[C@H]([NH2+]CCCC[NH+](C)C)[C@H]1CCOC1 ZINC000303393210 487863881 /nfs/dbraw/zinc/86/38/81/487863881.db2.gz KRVUMVPFMVBECG-STQMWFEESA-N 2 0 228.380 1.733 20 0 BDADRP [NH3+]CCC[N@@H+]1CCOCC2(CCCC2)C1 ZINC000666705481 487864266 /nfs/dbraw/zinc/86/42/66/487864266.db2.gz UGMJRJGDTBYMOG-UHFFFAOYSA-N 2 0 212.337 1.228 20 0 BDADRP CCSCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000129059251 487875787 /nfs/dbraw/zinc/87/57/87/487875787.db2.gz GMZFJCFKEPLYBU-VXGBXAGGSA-N 2 0 228.405 1.956 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H](C)C1CC1 ZINC000234790556 487878747 /nfs/dbraw/zinc/87/87/47/487878747.db2.gz VJTNNMVRYVOMBY-JQWIXIFHSA-N 2 0 214.353 1.376 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC[NH+](C)C)CS1 ZINC000086934336 487881439 /nfs/dbraw/zinc/88/14/39/487881439.db2.gz LGSGIEANCIUBLH-ZJUUUORDSA-N 2 0 202.367 1.422 20 0 BDADRP CC[C@@H]1C[N@H+](CC2CC[NH2+]CC2)[C@H](C)CO1 ZINC000403813906 487889886 /nfs/dbraw/zinc/88/98/86/487889886.db2.gz LKFKCGZCJZYCQD-DGCLKSJQSA-N 2 0 226.364 1.485 20 0 BDADRP CC[N@@H+]1CC[C@@H](NC[C@@H]2C[C@H](F)C[NH2+]2)[C@@H](C)C1 ZINC000666947808 487912584 /nfs/dbraw/zinc/91/25/84/487912584.db2.gz IRJSNLRGAOPMBI-ZDEQEGDKSA-N 2 0 243.370 1.006 20 0 BDADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cnc3ccccn23)C1 ZINC000666962181 487919821 /nfs/dbraw/zinc/91/98/21/487919821.db2.gz HCGBLOIAJRFCAG-RYUDHWBXSA-N 2 0 244.342 1.551 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995078 487921336 /nfs/dbraw/zinc/92/13/36/487921336.db2.gz CFXGZKQQPYSSNE-TUAOUCFPSA-N 2 0 224.348 1.428 20 0 BDADRP CCOC[C@@H](C)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995653 487921024 /nfs/dbraw/zinc/92/10/24/487921024.db2.gz VJJBDOIODONTIF-VXGBXAGGSA-N 2 0 226.364 1.676 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H]3COC[C@@H]32)CC[NH2+]1 ZINC000667048434 487932852 /nfs/dbraw/zinc/93/28/52/487932852.db2.gz WLHAJFHYIUSGBN-RQJABVFESA-N 2 0 238.375 1.485 20 0 BDADRP C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000667040070 487933616 /nfs/dbraw/zinc/93/36/16/487933616.db2.gz BJCRHMOBJOGZQJ-MDZLAQPJSA-N 2 0 249.362 1.030 20 0 BDADRP FC1(F)C[C@]12CC[N@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000652364401 487933968 /nfs/dbraw/zinc/93/39/68/487933968.db2.gz MUIURQIFUCKPNC-QWRGUYRKSA-N 2 0 230.302 1.717 20 0 BDADRP O=C(CC[NH2+]C1CC1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000569502325 322968306 /nfs/dbraw/zinc/96/83/06/322968306.db2.gz LJXAFVVDJWIFIX-UHFFFAOYSA-N 2 0 245.326 1.370 20 0 BDADRP C[C@@H]([NH3+])[C@H](C)NC(=O)CC1(C[NH3+])CCCCC1 ZINC000449605249 323000624 /nfs/dbraw/zinc/00/06/24/323000624.db2.gz VQGSAOCBWAMDEX-MNOVXSKESA-N 2 0 241.379 1.138 20 0 BDADRP COC[C@H](C)C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000562902481 323033066 /nfs/dbraw/zinc/03/30/66/323033066.db2.gz WOCNBMONAHYRIH-HZSPNIEDSA-N 2 0 240.391 1.685 20 0 BDADRP CC[NH2+]CCC[NH2+][C@@H](C)CCCC[NH3+] ZINC000562956302 323034863 /nfs/dbraw/zinc/03/48/63/323034863.db2.gz TXISDHBWJJDVCZ-NSHDSACASA-N 3 0 201.358 1.093 20 0 BDADRP CC1=CC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000569833053 323042000 /nfs/dbraw/zinc/04/20/00/323042000.db2.gz ODYLUMLUTGRODZ-ZIAGYGMSSA-N 2 0 238.375 1.532 20 0 BDADRP CC[N@H+](C)C[C@@H](O)CN1CC(C)(C)[C@@H]1C1CC1 ZINC000570060695 323049039 /nfs/dbraw/zinc/04/90/39/323049039.db2.gz OHIXZIUWJZLTHL-OLZOCXBDSA-N 2 0 240.391 1.419 20 0 BDADRP CCC[C@@H](C)[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000570174361 323052174 /nfs/dbraw/zinc/05/21/74/323052174.db2.gz XWRFXWVYLSQZAP-CYBMUJFWSA-N 2 0 242.407 2.000 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)CCO1 ZINC000570570951 323063503 /nfs/dbraw/zinc/06/35/03/323063503.db2.gz VIUFWIWALWIVMA-BXUZGUMPSA-N 2 0 234.343 1.802 20 0 BDADRP C[C@H](CCCC[NH3+])NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000563116620 323093329 /nfs/dbraw/zinc/09/33/29/323093329.db2.gz LHSRLNFBRIVGPZ-NEPJUHHUSA-N 2 0 241.379 1.010 20 0 BDADRP C[C@@H]([NH2+]CCc1cn(C)cn1)[C@H]1CC1(C)C ZINC000397780320 323096083 /nfs/dbraw/zinc/09/60/83/323096083.db2.gz IZQNZQYOKSFTRF-ZYHUDNBSSA-N 2 0 221.348 1.987 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000563165862 323099390 /nfs/dbraw/zinc/09/93/90/323099390.db2.gz RAZVDPRWFSDGMJ-LLVKDONJSA-N 2 0 249.358 1.150 20 0 BDADRP CC(C)OCC[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397392263 323108246 /nfs/dbraw/zinc/10/82/46/323108246.db2.gz NZGPOMKLSBCKGI-AGIUHOORSA-N 2 0 228.380 1.717 20 0 BDADRP C[C@@H]1CC[N@H+](CCN[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000531727700 323111481 /nfs/dbraw/zinc/11/14/81/323111481.db2.gz GQAISRONKMGPFK-MGPQQGTHSA-N 2 0 239.407 1.401 20 0 BDADRP CC[NH+]1CCC(NCC[N@@H+]2CC[C@H](C)C2)CC1 ZINC000531727716 323111533 /nfs/dbraw/zinc/11/15/33/323111533.db2.gz JAYZHESMRIJNPG-ZDUSSCGKSA-N 2 0 239.407 1.402 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cnn3ccccc23)C1 ZINC000563429746 323125069 /nfs/dbraw/zinc/12/50/69/323125069.db2.gz ZMDQMVDWOQQKCA-STQMWFEESA-N 2 0 244.342 1.694 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000563424788 323125898 /nfs/dbraw/zinc/12/58/98/323125898.db2.gz NLTIDMDKVCEWHS-QJPTWQEYSA-N 2 0 213.369 1.363 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCCO1 ZINC000563425470 323126107 /nfs/dbraw/zinc/12/61/07/323126107.db2.gz QXBVFTYWLSFXEQ-RNJOBUHISA-N 2 0 226.364 1.804 20 0 BDADRP CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000571111891 323135837 /nfs/dbraw/zinc/13/58/37/323135837.db2.gz CJGNMHZXBHFLGY-PEBLQZBPSA-N 2 0 238.375 1.626 20 0 BDADRP CC[C@H](O)C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000571158365 323136939 /nfs/dbraw/zinc/13/69/39/323136939.db2.gz GDTCHPVFXRTYLB-WOPDTQHZSA-N 2 0 214.353 1.220 20 0 BDADRP Cc1cnc(CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)nc1 ZINC000571418746 323144436 /nfs/dbraw/zinc/14/44/36/323144436.db2.gz YYRSEDXDRJNBTK-RYUDHWBXSA-N 2 0 234.347 1.187 20 0 BDADRP CCNC(=O)C(C)(C)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000571417933 323144469 /nfs/dbraw/zinc/14/44/69/323144469.db2.gz QFJBDVOSNPIHJK-GHMZBOCLSA-N 2 0 241.379 1.008 20 0 BDADRP CC[N@@H+]1CC[C@@H](NCCC[NH2+]C(C)C)[C@@H](C)C1 ZINC000571431253 323144715 /nfs/dbraw/zinc/14/47/15/323144715.db2.gz NEVUDSIWIMZHNX-UONOGXRCSA-N 2 0 241.423 1.694 20 0 BDADRP C[C@H](C[NH3+])C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000571551649 323148207 /nfs/dbraw/zinc/14/82/07/323148207.db2.gz RHFXEINZTNATGV-YPMHNXCESA-N 2 0 249.358 1.178 20 0 BDADRP CC[C@@H](O)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000305064678 323166934 /nfs/dbraw/zinc/16/69/34/323166934.db2.gz HMNYCHOQBYGULE-XQQFMLRXSA-N 2 0 228.380 1.419 20 0 BDADRP C[C@H](O)[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000305630844 323171156 /nfs/dbraw/zinc/17/11/56/323171156.db2.gz MLCMERUGQGCOQA-BFHYXJOUSA-N 2 0 240.391 1.564 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCC(C)(C)CO ZINC000395120056 323187855 /nfs/dbraw/zinc/18/78/55/323187855.db2.gz GHAXBXIBFPAYCJ-UPJWGTAASA-N 2 0 242.407 1.713 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCCOC1)[C@H]1CCC[NH2+]1 ZINC000530214250 323216413 /nfs/dbraw/zinc/21/64/13/323216413.db2.gz VZTFQYPCAKDARV-YNEHKIRRSA-N 2 0 226.364 1.533 20 0 BDADRP Cc1ncccc1C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000530219380 323217929 /nfs/dbraw/zinc/21/79/29/323217929.db2.gz JCJQXBKSBMQQOV-BXUZGUMPSA-N 2 0 233.359 1.868 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccnc(N)c2)CC1 ZINC000572881082 323514100 /nfs/dbraw/zinc/51/41/00/323514100.db2.gz ZYVKMMUEUIMEJV-SNVBAGLBSA-N 2 0 234.347 1.053 20 0 BDADRP CC[NH2+]CCC[NH2+][C@H](COC)C(C)C ZINC000515828726 324116024 /nfs/dbraw/zinc/11/60/24/324116024.db2.gz DLJWLLCZPLDHDB-LLVKDONJSA-N 2 0 202.342 1.247 20 0 BDADRP C[NH+](C)Cc1ccc(NC(=O)CC[NH3+])cc1 ZINC000037042491 324223982 /nfs/dbraw/zinc/22/39/82/324223982.db2.gz XYDAKPMEHUUSGS-UHFFFAOYSA-N 2 0 221.304 1.036 20 0 BDADRP c1cc2ccc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2[nH]1 ZINC000529536847 324329710 /nfs/dbraw/zinc/32/97/10/324329710.db2.gz NTMRNNNVMSZYMW-OKILXGFUSA-N 2 0 241.338 1.819 20 0 BDADRP COc1ccc(CC[NH2+][C@@H]2CCC[NH2+]CC2)cn1 ZINC000530223998 324544299 /nfs/dbraw/zinc/54/42/99/324544299.db2.gz VCIBWZLBRPQGKK-CYBMUJFWSA-N 2 0 249.358 1.364 20 0 BDADRP FCCC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530242800 324553459 /nfs/dbraw/zinc/55/34/59/324553459.db2.gz VEVSCHPROQKFCT-CYBMUJFWSA-N 2 0 244.354 1.437 20 0 BDADRP CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)C(C)C ZINC000127648669 324780100 /nfs/dbraw/zinc/78/01/00/324780100.db2.gz UVZJSJFARWBBSV-KBPBESRZSA-N 2 0 241.423 1.647 20 0 BDADRP C[C@@H](NCC[C@H]1CCC[NH2+]1)c1nccs1 ZINC000070733423 325025941 /nfs/dbraw/zinc/02/59/41/325025941.db2.gz JPVZFKPDMURWAQ-NXEZZACHSA-N 2 0 225.361 1.936 20 0 BDADRP COC[C@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000075645008 325304760 /nfs/dbraw/zinc/30/47/60/325304760.db2.gz WJRUIVSQINBIOP-LBPRGKRZSA-N 2 0 228.380 1.685 20 0 BDADRP CCOCCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000086402143 325614523 /nfs/dbraw/zinc/61/45/23/325614523.db2.gz AQJRTGQIYDJXMZ-QWRGUYRKSA-N 2 0 200.326 1.273 20 0 BDADRP Nc1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)ccn1 ZINC000564986177 325839958 /nfs/dbraw/zinc/83/99/58/325839958.db2.gz HOSNLLZVZMVHCX-UHFFFAOYSA-N 2 0 246.358 1.070 20 0 BDADRP [NH3+]C1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000565095832 325856531 /nfs/dbraw/zinc/85/65/31/325856531.db2.gz USYFULOUGLCXIC-UHFFFAOYSA-N 2 0 245.370 1.255 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000565599134 325932847 /nfs/dbraw/zinc/93/28/47/325932847.db2.gz MKXDTHJDUHCYBA-HUUCEWRRSA-N 3 0 247.386 1.752 20 0 BDADRP C[C@]1(C[NH+]2CCC(CC[NH3+])CC2)CC[NH2+]C1 ZINC000566316918 326032809 /nfs/dbraw/zinc/03/28/09/326032809.db2.gz SUVBNRJYHSUOLI-ZDUSSCGKSA-N 3 0 225.380 1.047 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCN(C)c1ccccc1 ZINC000566412581 326041241 /nfs/dbraw/zinc/04/12/41/326041241.db2.gz HZACMSQRLOVWME-KGLIPLIRSA-N 2 0 247.386 1.934 20 0 BDADRP C[C@H]1C[C@H]([NH3+])CCN1CC[NH2+]C(C)(C)C ZINC000566411513 326041280 /nfs/dbraw/zinc/04/12/80/326041280.db2.gz GZLZYHVAOKMDAR-WDEREUQCSA-N 2 0 213.369 1.186 20 0 BDADRP CC[N@H+](CCCc1cncn1C)C1CC1 ZINC000566418567 326043327 /nfs/dbraw/zinc/04/33/27/326043327.db2.gz IUXPSKWKGFFEJI-UHFFFAOYSA-N 2 0 207.321 1.837 20 0 BDADRP CC(C)[N@@H+](C)C[C@H](C)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000566480978 326055806 /nfs/dbraw/zinc/05/58/06/326055806.db2.gz CXZWEHAVMWVGAI-YNEHKIRRSA-N 2 0 227.396 1.575 20 0 BDADRP CC[C@H](C[C@H](C)CO)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000566807305 326085351 /nfs/dbraw/zinc/08/53/51/326085351.db2.gz MCPXYFITYRYZIO-LOWDOPEQSA-N 2 0 228.380 1.643 20 0 BDADRP CC[C@H](C[C@H](C)CO)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000566807306 326085420 /nfs/dbraw/zinc/08/54/20/326085420.db2.gz MCPXYFITYRYZIO-RVMXOQNASA-N 2 0 228.380 1.643 20 0 BDADRP Nc1ccc2c(c1)CC[C@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000567292505 326156999 /nfs/dbraw/zinc/15/69/99/326156999.db2.gz RWDBILQTKMXKOR-OAHLLOKOSA-N 2 0 245.370 1.845 20 0 BDADRP CC[NH2+]CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000567383478 326180349 /nfs/dbraw/zinc/18/03/49/326180349.db2.gz CYCGUYMEVHFCGJ-UHFFFAOYSA-N 2 0 249.358 1.088 20 0 BDADRP COCCC[C@H](C)[NH2+]CCC[NH2+]C(C)C ZINC000567639074 326236083 /nfs/dbraw/zinc/23/60/83/326236083.db2.gz QIJRIZFQKCAVAC-LBPRGKRZSA-N 2 0 216.369 1.779 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC2(CCO)CC2)C1 ZINC000156735520 326241080 /nfs/dbraw/zinc/24/10/80/326241080.db2.gz JCHJREHFLYAOLI-GHMZBOCLSA-N 2 0 212.337 1.009 20 0 BDADRP COCC1(CC[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000567893666 326278404 /nfs/dbraw/zinc/27/84/04/326278404.db2.gz ICHCRAQDWZEUKX-QWHCGFSZSA-N 2 0 240.391 1.781 20 0 BDADRP COCC1(CC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000567893748 326278449 /nfs/dbraw/zinc/27/84/49/326278449.db2.gz TVBGNXKSBMZZJH-OLZOCXBDSA-N 2 0 240.391 1.910 20 0 BDADRP C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCC[NH2+]1 ZINC000568499385 326359700 /nfs/dbraw/zinc/35/97/00/326359700.db2.gz PUUMMYRAYGFCPT-AGIUHOORSA-N 2 0 225.380 1.058 20 0 BDADRP CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000568499433 326359782 /nfs/dbraw/zinc/35/97/82/326359782.db2.gz ZWVNYPNFAVSBJA-WHOHXGKFSA-N 2 0 212.337 1.142 20 0 BDADRP CCn1ccnc1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000568727280 326373727 /nfs/dbraw/zinc/37/37/27/326373727.db2.gz RDYQTAHGRFGDIA-QWHCGFSZSA-N 2 0 248.374 1.381 20 0 BDADRP CCn1ccnc1C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000568845353 326379064 /nfs/dbraw/zinc/37/90/64/326379064.db2.gz ZLACFFWDXWLDDV-VXGBXAGGSA-N 2 0 236.363 1.510 20 0 BDADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)[C@@H]1CCOC1 ZINC000166325976 326432167 /nfs/dbraw/zinc/43/21/67/326432167.db2.gz MJLICVXMGGPTHA-BXUZGUMPSA-N 2 0 234.343 1.660 20 0 BDADRP CN(CCC[NH3+])C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000158748732 487974540 /nfs/dbraw/zinc/97/45/40/487974540.db2.gz AUEPRDKSVZRBEI-CYBMUJFWSA-N 2 0 249.358 1.274 20 0 BDADRP Cc1ccc(C)c(OCC[N@H+](C)CCC[NH3+])c1 ZINC000123348404 487993838 /nfs/dbraw/zinc/99/38/38/487993838.db2.gz KVWZTVRTOLLGFV-UHFFFAOYSA-N 2 0 236.359 1.963 20 0 BDADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC(C)(C)CO ZINC000135082333 488013828 /nfs/dbraw/zinc/01/38/28/488013828.db2.gz GLLLMQMEFQCJKF-QWHCGFSZSA-N 2 0 242.407 1.905 20 0 BDADRP CC[C@@H](O)C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000229967168 488015107 /nfs/dbraw/zinc/01/51/07/488015107.db2.gz NIPJNDAIYSSCEH-WQAKAFBOSA-N 2 0 220.316 1.492 20 0 BDADRP C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401008821 488015193 /nfs/dbraw/zinc/01/51/93/488015193.db2.gz FYEIIOOTMWCDAS-OFTGVCEQSA-N 2 0 240.416 1.858 20 0 BDADRP CCOCCC[N@@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000147449812 488024135 /nfs/dbraw/zinc/02/41/35/488024135.db2.gz YPIQQQOWGFMRJP-RYUDHWBXSA-N 2 0 214.353 1.472 20 0 BDADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])o1 ZINC000084221515 488038726 /nfs/dbraw/zinc/03/87/26/488038726.db2.gz IHKNJUZNLYPUEQ-CMPLNLGQSA-N 2 0 208.305 1.805 20 0 BDADRP Cn1cnc2cc(C[N@H+](C)CCC[NH3+])ccc21 ZINC000084516933 488056073 /nfs/dbraw/zinc/05/60/73/488056073.db2.gz KYXFXSAAHFZPIN-UHFFFAOYSA-N 2 0 232.331 1.354 20 0 BDADRP [NH3+]Cc1cccc(NC(=O)C2([NH3+])CCCC2)c1 ZINC000669508426 488108814 /nfs/dbraw/zinc/10/88/14/488108814.db2.gz WRLXVGWEBDXBMO-UHFFFAOYSA-N 2 0 233.315 1.355 20 0 BDADRP C[NH+](C)CCC[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000667763020 488111153 /nfs/dbraw/zinc/11/11/53/488111153.db2.gz NONSFHHGHDUNGE-RYUDHWBXSA-N 2 0 212.337 1.095 20 0 BDADRP CC(C)([NH3+])CC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000669511070 488115210 /nfs/dbraw/zinc/11/52/10/488115210.db2.gz OPFYFAMEGNDECG-LLVKDONJSA-N 2 0 241.379 1.138 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)C1 ZINC000667792813 488121981 /nfs/dbraw/zinc/12/19/81/488121981.db2.gz JYHIIETUSBQHAU-KWCYVHTRSA-N 2 0 238.375 1.485 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H]2CCCOC2)C1 ZINC000674302103 487554785 /nfs/dbraw/zinc/55/47/85/487554785.db2.gz JOQWJZCHVNKRAJ-CHWSQXEVSA-N 2 0 226.364 1.439 20 0 BDADRP C[C@@H](C(=O)Nc1cccc(C[NH3+])c1)[NH+](C)C ZINC000022170860 487481979 /nfs/dbraw/zinc/48/19/79/487481979.db2.gz MWPPBHYHNFJWSY-VIFPVBQESA-N 2 0 221.304 1.034 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)C1CC1 ZINC000381031910 487493118 /nfs/dbraw/zinc/49/31/18/487493118.db2.gz DMAPIFOYUSIELJ-DGCLKSJQSA-N 2 0 228.380 1.418 20 0 BDADRP CC[C@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000381079297 487494416 /nfs/dbraw/zinc/49/44/16/487494416.db2.gz QYDZFXGRVQLZRZ-STQMWFEESA-N 2 0 228.380 1.562 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C)[C@H]1C ZINC000381084279 487495294 /nfs/dbraw/zinc/49/52/94/487495294.db2.gz SGQJPHXDTOHHRY-JHJVBQTASA-N 2 0 228.380 1.418 20 0 BDADRP CC(C)C[C@H](CO)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000040775321 487516175 /nfs/dbraw/zinc/51/61/75/487516175.db2.gz RGOYLQFGYKEIJU-TZMCWYRMSA-N 2 0 242.407 1.713 20 0 BDADRP C[C@H]1[C@@H]([NH3+])CCN1Cc1cccc2c1CC[NH2+]C2 ZINC000662274661 487524696 /nfs/dbraw/zinc/52/46/96/487524696.db2.gz ZKEIIWIMQOZCEL-NHYWBVRUSA-N 2 0 245.370 1.254 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)[C@H](C)C1 ZINC000178313347 487610425 /nfs/dbraw/zinc/61/04/25/487610425.db2.gz KNJSFKDHHQYPPF-KSTCHIGDSA-N 2 0 238.375 1.626 20 0 BDADRP CCOCCC[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000250536330 487734301 /nfs/dbraw/zinc/73/43/01/487734301.db2.gz TVJQODNBKXKMBG-GHMZBOCLSA-N 2 0 200.326 1.225 20 0 BDADRP Cc1ccnc(N[C@H](C)[C@@H]2CN(C)CCO2)c1 ZINC000676314262 487835727 /nfs/dbraw/zinc/83/57/27/487835727.db2.gz PLUVJQXVEAEZQS-NEPJUHHUSA-N 2 0 235.331 1.521 20 0 BDADRP Cc1cnccc1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000229658772 487935760 /nfs/dbraw/zinc/93/57/60/487935760.db2.gz ZTMIEWBFIISWQN-GXTWGEPZSA-N 2 0 233.359 1.997 20 0 BDADRP C[NH+](C)[C@H]1CCC[N@@H+]([C@@H]2CCCOC2)CC1 ZINC000683228094 488134232 /nfs/dbraw/zinc/13/42/32/488134232.db2.gz SMXQBZSNOLNVNJ-QWHCGFSZSA-N 2 0 226.364 1.582 20 0 BDADRP C[C@@H](CO)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000683228143 488134886 /nfs/dbraw/zinc/13/48/86/488134886.db2.gz VTQLBRKUVIUHSU-VXGBXAGGSA-N 2 0 214.353 1.031 20 0 BDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C1CCCC1 ZINC000657572883 488136963 /nfs/dbraw/zinc/13/69/63/488136963.db2.gz FGCCMWAIURKTDN-ZDUSSCGKSA-N 2 0 241.423 1.791 20 0 BDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000667899054 488150156 /nfs/dbraw/zinc/15/01/56/488150156.db2.gz HXZOVDDSJUOKKE-IXOXFDKPSA-N 2 0 224.348 1.094 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCCCC[C@H]1C ZINC000379889108 488154851 /nfs/dbraw/zinc/15/48/51/488154851.db2.gz ADRDSKJYWXIRQL-ZIAGYGMSSA-N 2 0 242.407 1.952 20 0 BDADRP Cn1nccc1CC[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000230774825 488156647 /nfs/dbraw/zinc/15/66/47/488156647.db2.gz RNVZSZKFYUSAIY-GFCCVEGCSA-N 2 0 236.363 1.023 20 0 BDADRP COCCC[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000379947074 488162582 /nfs/dbraw/zinc/16/25/82/488162582.db2.gz DEOPBGXKKMIFFR-RYUDHWBXSA-N 2 0 212.337 1.084 20 0 BDADRP C(CC1CC1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400951446 488178366 /nfs/dbraw/zinc/17/83/66/488178366.db2.gz WXQFUBFSRPKSRY-RWMBFGLXSA-N 2 0 208.349 1.764 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccccc2N(C)C)C1 ZINC000351856751 488214243 /nfs/dbraw/zinc/21/42/43/488214243.db2.gz WATJLUKKLBQJAV-OLZOCXBDSA-N 2 0 247.386 1.922 20 0 BDADRP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)C1CC1 ZINC000323765223 488221097 /nfs/dbraw/zinc/22/10/97/488221097.db2.gz WAVLDHZYJOZCNK-OLZOCXBDSA-N 2 0 228.380 1.466 20 0 BDADRP O[C@H]1CCC[N@H+](Cc2cnc3n2CCC3)CC1 ZINC000668198440 488222014 /nfs/dbraw/zinc/22/20/14/488222014.db2.gz QNCJFKCAWQZFHP-LBPRGKRZSA-N 2 0 235.331 1.176 20 0 BDADRP C[C@H]([NH2+][C@@H](CO)CC1CC1)C1CC[NH+](C)CC1 ZINC000678608585 488271919 /nfs/dbraw/zinc/27/19/19/488271919.db2.gz YFARDTKRYUPZFH-SMDDNHRTSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@H]([NH2+][C@H](CO)CC1CC1)C1CC[NH+](C)CC1 ZINC000678608581 488271992 /nfs/dbraw/zinc/27/19/92/488271992.db2.gz YFARDTKRYUPZFH-FZMZJTMJSA-N 2 0 240.391 1.467 20 0 BDADRP COC[C@@H](C)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319713 490051574 /nfs/dbraw/zinc/05/15/74/490051574.db2.gz KZEQVZQOVVJRPG-CHWSQXEVSA-N 2 0 244.379 1.064 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(CO)CC2)[C@H](C)C1 ZINC000122340493 490133698 /nfs/dbraw/zinc/13/36/98/490133698.db2.gz LYZUVCCXMGRCLI-NEPJUHHUSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H]1C[C@H](NCC(C)(C)[NH+](C)C)CC[N@@H+]1C ZINC000129581238 490153642 /nfs/dbraw/zinc/15/36/42/490153642.db2.gz OHFDPZZSPDUQRH-VXGBXAGGSA-N 2 0 227.396 1.399 20 0 BDADRP CN1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000401013326 490181076 /nfs/dbraw/zinc/18/10/76/490181076.db2.gz STTRZOQNWYCCHO-MBNYWOFBSA-N 2 0 237.391 1.058 20 0 BDADRP CN1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000401013329 490181123 /nfs/dbraw/zinc/18/11/23/490181123.db2.gz STTRZOQNWYCCHO-YRGRVCCFSA-N 2 0 237.391 1.058 20 0 BDADRP CC(C)n1cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000414924356 490213643 /nfs/dbraw/zinc/21/36/43/490213643.db2.gz JYWQTAZPDRRZDC-OLZOCXBDSA-N 2 0 236.363 1.824 20 0 BDADRP C[C@@H]1CCC[C@@H](C[N@H+](C)CCOCC[NH3+])C1 ZINC000381036283 490243863 /nfs/dbraw/zinc/24/38/63/490243863.db2.gz FHNTUEZNTUHSHG-CHWSQXEVSA-N 2 0 228.380 1.720 20 0 BDADRP NC(=O)c1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc1 ZINC000414907001 490307757 /nfs/dbraw/zinc/30/77/57/490307757.db2.gz QGYDPNNJRJNUDR-CYBMUJFWSA-N 2 0 247.342 1.017 20 0 BDADRP Cc1csc(C[NH2+]CC2(C)CC[NH2+]CC2)n1 ZINC000062841840 490366363 /nfs/dbraw/zinc/36/63/63/490366363.db2.gz VBWCECQXGQOAPI-UHFFFAOYSA-N 2 0 239.388 1.931 20 0 BDADRP c1cn(CC[NH+]2CCc3ccccc3CC2)cn1 ZINC000131622900 490647993 /nfs/dbraw/zinc/64/79/93/490647993.db2.gz YFTMEKDYRYGNEQ-UHFFFAOYSA-N 2 0 241.338 1.984 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+][C@H](C)CC[NH+](C)C)CCO1 ZINC000251495589 491078235 /nfs/dbraw/zinc/07/82/35/491078235.db2.gz DIMGDHLVDJBNTA-JHJVBQTASA-N 2 0 228.380 1.874 20 0 BDADRP Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000400944631 491069126 /nfs/dbraw/zinc/06/91/26/491069126.db2.gz AHYLEDSVWYMEHC-RBSFLKMASA-N 2 0 245.370 1.868 20 0 BDADRP COC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)C1CC1 ZINC000087479766 491088930 /nfs/dbraw/zinc/08/89/30/491088930.db2.gz GGXWZWYCFUVHNC-YPMHNXCESA-N 2 0 226.364 1.343 20 0 BDADRP CC(C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000069311235 491114301 /nfs/dbraw/zinc/11/43/01/491114301.db2.gz LHTMGEQGWYVCFK-UHFFFAOYSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCCS1)[C@H]1CCC[NH2+]1 ZINC000400642650 533883396 /nfs/dbraw/zinc/88/33/96/533883396.db2.gz OIEKDRBIQFEPNX-GARJFASQSA-N 2 0 214.378 1.612 20 0 BDADRP C[C@@H](C[NH2+]CCCC[NH3+])CC1CCOCC1 ZINC000414914552 534057192 /nfs/dbraw/zinc/05/71/92/534057192.db2.gz XSTBIEDCYHVPIO-GFCCVEGCSA-N 2 0 228.380 1.768 20 0 BDADRP CCSCC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000164139862 535683818 /nfs/dbraw/zinc/68/38/18/535683818.db2.gz POBWIWIYIVEXOM-TUAOUCFPSA-N 2 0 228.405 1.799 20 0 BDADRP CCOC1CC(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000351758331 535753915 /nfs/dbraw/zinc/75/39/15/535753915.db2.gz PCGXEELNJLIFHX-HSBZDZAISA-N 2 0 240.391 1.685 20 0 BDADRP C[C@H]1CSCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000892046103 582771710 /nfs/dbraw/zinc/77/17/10/582771710.db2.gz NLMGGZFYDFLLBC-NSHDSACASA-N 2 0 228.405 1.766 20 0 BDADRP Cc1csc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)n1 ZINC000054309204 518191990 /nfs/dbraw/zinc/19/19/90/518191990.db2.gz RTYVMTGELRVFTJ-NSHDSACASA-N 2 0 239.388 1.931 20 0 BDADRP CCC1(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)COC1 ZINC000400350877 527752224 /nfs/dbraw/zinc/75/22/24/527752224.db2.gz JZEKABGDLDXNBJ-WDEREUQCSA-N 2 0 212.337 1.143 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]CCC[NH+](C)C)[C@@H]1SC ZINC000459369413 527832911 /nfs/dbraw/zinc/83/29/11/527832911.db2.gz NUMINPNYUPKMIU-UTUOFQBUSA-N 2 0 246.420 1.437 20 0 BDADRP COC[C@@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000335570840 536525631 /nfs/dbraw/zinc/52/56/31/536525631.db2.gz VTNYHRZSSFXXBT-NEPJUHHUSA-N 2 0 212.337 1.049 20 0 BDADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000494999098 528143429 /nfs/dbraw/zinc/14/34/29/528143429.db2.gz RAEKWHFVXKVKTB-HZSPNIEDSA-N 2 0 242.407 1.979 20 0 BDADRP CCC[NH2+]CC[NH2+]CC[C@@H]1CCOC1 ZINC000401330447 528508883 /nfs/dbraw/zinc/50/88/83/528508883.db2.gz DDIDWUYGXHBOCC-LLVKDONJSA-N 2 0 200.326 1.002 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000400393453 528818973 /nfs/dbraw/zinc/81/89/73/528818973.db2.gz JIQDITIBCFBEGR-CHWSQXEVSA-N 2 0 227.396 1.447 20 0 BDADRP CCC(O)(CC)CC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000471782153 528965554 /nfs/dbraw/zinc/96/55/54/528965554.db2.gz RHZHTGSMXWIDCQ-OLZOCXBDSA-N 2 0 242.407 1.857 20 0 BDADRP CC(C)[NH+]1CCC(O)(C[NH2+]C[C@H]2C[C@H]2C)CC1 ZINC000488439347 529004414 /nfs/dbraw/zinc/00/44/14/529004414.db2.gz ZRBSDXQNJYXTBU-CHWSQXEVSA-N 2 0 240.391 1.467 20 0 BDADRP CC[NH+]1CCN(CCC[NH2+]C[C@@H]2C[C@H]2C)CC1 ZINC000488422813 529144872 /nfs/dbraw/zinc/14/48/72/529144872.db2.gz ZAQRQXNKENLRAV-KGLIPLIRSA-N 2 0 239.407 1.260 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400359299 529327559 /nfs/dbraw/zinc/32/75/59/529327559.db2.gz CLICCKGNOVGJJG-TUAOUCFPSA-N 2 0 214.353 1.125 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000252715107 535004170 /nfs/dbraw/zinc/00/41/70/535004170.db2.gz UQXNHCAEHLGUFP-STQMWFEESA-N 2 0 228.380 1.731 20 0 BDADRP CC(C)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000335186734 535165143 /nfs/dbraw/zinc/16/51/43/535165143.db2.gz RYYOGOVQCUQBER-NEPJUHHUSA-N 2 0 212.337 1.223 20 0 BDADRP CC(C)([NH3+])CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000335632529 535199528 /nfs/dbraw/zinc/19/95/28/535199528.db2.gz GSYKQDFDMZPLSK-RYUDHWBXSA-N 2 0 225.380 1.045 20 0 BDADRP CC(C)[C@H]1CN(C[C@H]2CCC[NH2+]C2)CC[N@@H+]1C ZINC000261937000 535238598 /nfs/dbraw/zinc/23/85/98/535238598.db2.gz MFDGBZADELVYAV-UONOGXRCSA-N 2 0 239.407 1.258 20 0 BDADRP CC(C)[C@](C)(O)C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000252715679 535285178 /nfs/dbraw/zinc/28/51/78/535285178.db2.gz WJSBJMMLUQHNHA-FRRDWIJNSA-N 2 0 228.380 1.323 20 0 BDADRP CC(C)C[C@H]1CCC[N@@H+]1CCOCC[NH3+] ZINC000261558317 535327361 /nfs/dbraw/zinc/32/73/61/535327361.db2.gz YCDNNLPAVPTBKJ-GFCCVEGCSA-N 2 0 214.353 1.472 20 0 BDADRP CCN1CCC[C@@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000086729105 535538767 /nfs/dbraw/zinc/53/87/67/535538767.db2.gz MWZWMIOAUXWHQF-WXRRBKDZSA-N 2 0 225.380 1.330 20 0 BDADRP CC[N@@H+]1CCC[C@@H](N[C@@H]2CCC[NH2+]CC2)C1 ZINC000168734110 535541376 /nfs/dbraw/zinc/54/13/76/535541376.db2.gz WWOYQSKTVRKWQE-CHWSQXEVSA-N 2 0 225.380 1.202 20 0 BDADRP CCOCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000249296415 535550337 /nfs/dbraw/zinc/55/03/37/535550337.db2.gz DBRFQUSRCBKHJQ-JHJVBQTASA-N 2 0 228.380 1.731 20 0 BDADRP CCOCC[N@H+](CC)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261534160 535584437 /nfs/dbraw/zinc/58/44/37/535584437.db2.gz NSWIHJXJOAPJLB-CHWSQXEVSA-N 2 0 228.380 1.733 20 0 BDADRP CC[C@@H]1C[N@H+](CC[C@H]2CCC[NH+]2C)C[C@@H]1O ZINC000348128890 535860299 /nfs/dbraw/zinc/86/02/99/535860299.db2.gz QNFHEFHYSIFJGI-UPJWGTAASA-N 2 0 226.364 1.173 20 0 BDADRP CC[C@H](COC)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000070656305 536121847 /nfs/dbraw/zinc/12/18/47/536121847.db2.gz DBFDREWMHHEWHO-GFCCVEGCSA-N 2 0 228.380 1.874 20 0 BDADRP CC[C@H](COC)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000251126297 536122558 /nfs/dbraw/zinc/12/25/58/536122558.db2.gz XFKHZQORYUWMIY-TUAOUCFPSA-N 2 0 214.353 1.519 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000348148511 536371118 /nfs/dbraw/zinc/37/11/18/536371118.db2.gz IOGQOOWDSSKADR-MGPQQGTHSA-N 2 0 240.391 1.611 20 0 BDADRP CO[C@@H](C[NH2+][C@H]1CCC[NH2+]CC1)C1CC1 ZINC000261975432 536516846 /nfs/dbraw/zinc/51/68/46/536516846.db2.gz FTUCYSMDRGAKGI-RYUDHWBXSA-N 2 0 212.337 1.143 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CC[C@@H]1CCCCO1 ZINC000223770135 536595424 /nfs/dbraw/zinc/59/54/24/536595424.db2.gz UFMQDVDAUAFSLR-OLZOCXBDSA-N 2 0 244.379 1.289 20 0 BDADRP CO[C@H](C[NH2+]C1CCC([NH3+])CC1)C1CC1 ZINC000262009549 536638080 /nfs/dbraw/zinc/63/80/80/536638080.db2.gz SVPWOCKJZCQNNT-HTAVTVPLSA-N 2 0 212.337 1.271 20 0 BDADRP CO[C@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000179243432 536708189 /nfs/dbraw/zinc/70/81/89/536708189.db2.gz QCGBXINCNJPCQU-OLZOCXBDSA-N 2 0 226.364 1.582 20 0 BDADRP COCC[C@@H](C)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094070500 536768528 /nfs/dbraw/zinc/76/85/28/536768528.db2.gz QGZLIGLJAIDUPO-GFCCVEGCSA-N 2 0 244.379 1.241 20 0 BDADRP COCCCCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351481780 536874724 /nfs/dbraw/zinc/87/47/24/536874724.db2.gz YFHJSOVEEIJCKE-RWMBFGLXSA-N 2 0 226.364 1.472 20 0 BDADRP COCCCCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351481788 536874812 /nfs/dbraw/zinc/87/48/12/536874812.db2.gz YFHJSOVEEIJCKE-YNEHKIRRSA-N 2 0 226.364 1.472 20 0 BDADRP COC[C@H]([NH2+][C@@H](C)CC[NH+](C)C)C1CC1 ZINC000087479640 536878365 /nfs/dbraw/zinc/87/83/65/536878365.db2.gz ACILWCICUGHTEN-JQWIXIFHSA-N 2 0 214.353 1.341 20 0 BDADRP COCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000086499913 536894009 /nfs/dbraw/zinc/89/40/09/536894009.db2.gz FFWZXGRTPWKHJY-RWMBFGLXSA-N 2 0 226.364 1.533 20 0 BDADRP c1c([C@H]2CCCC[NH2+]2)nnn1C1CC[NH2+]CC1 ZINC000725263200 538090087 /nfs/dbraw/zinc/09/00/87/538090087.db2.gz VSSBPHRWUQRTMO-LLVKDONJSA-N 2 0 235.335 1.017 20 0 BDADRP C[C@@H](CCO)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000853239286 588728172 /nfs/dbraw/zinc/72/81/72/588728172.db2.gz DKIUPTFSVDHRDD-JSGCOSHPSA-N 2 0 240.391 1.469 20 0 BDADRP CC[C@H]1C[C@@H](C[NH2+]CC23CC(C2)C[NH2+]3)CCO1 ZINC000853245631 588728646 /nfs/dbraw/zinc/72/86/46/588728646.db2.gz AGZHWERSIRFLJO-AHPWVWPOSA-N 2 0 238.375 1.533 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCC12CCOCC2 ZINC000854230804 588780918 /nfs/dbraw/zinc/78/09/18/588780918.db2.gz YZFQJSUZXOGDKN-CHWSQXEVSA-N 2 0 240.391 1.909 20 0 BDADRP CC(C)CNC(=[NH2+])NCC1([NH+](C)C)CCCC1 ZINC000112800638 588817180 /nfs/dbraw/zinc/81/71/80/588817180.db2.gz USLXSLKZCPRRSH-UHFFFAOYSA-N 2 0 240.395 1.631 20 0 BDADRP C[NH+](C)C[C@@H]1CCN(C/C=C/Cl)C1 ZINC000113515032 588842784 /nfs/dbraw/zinc/84/27/84/588842784.db2.gz POYFRDUFRQGUIF-GFAPAMAISA-N 2 0 202.729 1.622 20 0 BDADRP C[C@H](CNc1cc(N)[nH+]cc1Cl)[NH+](C)C ZINC000892027770 582765389 /nfs/dbraw/zinc/76/53/89/582765389.db2.gz JDVXTFMYINWGDP-SSDOTTSWSA-N 2 0 228.727 1.679 20 0 BDADRP CCCCNC(=[NH2+])NC[C@H](C)[NH+]1CCCC1 ZINC000848986524 582817511 /nfs/dbraw/zinc/81/75/11/582817511.db2.gz AZEDTQNIWSPWSL-NSHDSACASA-N 2 0 226.368 1.385 20 0 BDADRP COC1(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CCCCC1 ZINC000319189530 582854976 /nfs/dbraw/zinc/85/49/76/582854976.db2.gz OKKQRPJSPUZYEU-STQMWFEESA-N 2 0 238.375 1.487 20 0 BDADRP Cc1cc(N)nc(N[C@H]2CCC[C@@H]([NH+](C)C)C2)[nH+]1 ZINC000892824431 582989381 /nfs/dbraw/zinc/98/93/81/582989381.db2.gz QQZLWCXUKHHJAR-WDEREUQCSA-N 2 0 249.362 1.652 20 0 BDADRP CC(=O)N[C@@H]1CC[N@H+](CCCCCCC[NH3+])C1 ZINC000852755580 583016796 /nfs/dbraw/zinc/01/67/96/583016796.db2.gz UNKMNBTXASQCNZ-CYBMUJFWSA-N 2 0 241.379 1.106 20 0 BDADRP [NH3+][C@@]12CCC[C@@H]1CN(CCOC(F)F)C2 ZINC000857084799 588886502 /nfs/dbraw/zinc/88/65/02/588886502.db2.gz BMLFSQXTKCONNW-PSASIEDQSA-N 2 0 220.263 1.039 20 0 BDADRP C/C=C/C[C@@H](CO)[NH2+]CC1CC[NH+](C)CC1 ZINC000893662466 583190471 /nfs/dbraw/zinc/19/04/71/583190471.db2.gz XZMZYCVMCJTKSI-OOPCZODUSA-N 2 0 226.364 1.245 20 0 BDADRP CC[C@]1(C)COCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000893668085 583192040 /nfs/dbraw/zinc/19/20/40/583192040.db2.gz CQLGPJIOCWSTQZ-CQSZACIVSA-N 2 0 240.391 1.829 20 0 BDADRP [NH3+][C@]12CCC[C@@H]1CN(C/C=C\Cl)C2 ZINC000857086137 588886838 /nfs/dbraw/zinc/88/68/38/588886838.db2.gz RRSVUIAUKASXRP-WYCCQELTSA-N 2 0 200.713 1.552 20 0 BDADRP CC[C@@]1(CO)CCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000893908204 583249104 /nfs/dbraw/zinc/24/91/04/583249104.db2.gz OXGSGIRDXYJAQT-AWEZNQCLSA-N 2 0 240.391 1.565 20 0 BDADRP [NH3+]Cc1cccc(C(=O)NC[C@@H]2CCCC[NH2+]2)c1 ZINC000841846576 583357085 /nfs/dbraw/zinc/35/70/85/583357085.db2.gz YEVBSAZLHWQQSM-ZDUSSCGKSA-N 2 0 247.342 1.017 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)C1C[NH2+]C1 ZINC000857253175 588901377 /nfs/dbraw/zinc/90/13/77/588901377.db2.gz IFYSSOXNZOTOAD-VXNVDRBHSA-N 2 0 237.174 1.768 20 0 BDADRP COCCC[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879247435 583420619 /nfs/dbraw/zinc/42/06/19/583420619.db2.gz AANAHOILFLCPRW-UHFFFAOYSA-N 2 0 240.391 1.831 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CC[C@H](F)C2)CC1 ZINC000894670665 583503084 /nfs/dbraw/zinc/50/30/84/583503084.db2.gz KGCMGETXVSRFTE-NSHDSACASA-N 2 0 200.301 1.372 20 0 BDADRP Cc1ncoc1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000894984875 583564199 /nfs/dbraw/zinc/56/41/99/583564199.db2.gz MPLMURAMQCEJEK-LBPRGKRZSA-N 2 0 237.347 1.805 20 0 BDADRP C[C@H]1C[C@@H](NCc2cccnc2F)CC[N@@H+]1C ZINC000794836541 583622389 /nfs/dbraw/zinc/62/23/89/583622389.db2.gz QSSAUZIFGSMYNP-JQWIXIFHSA-N 2 0 237.322 1.793 20 0 BDADRP CC(C)OC1CC([NH2+]CC[C@@H](C)[NH+](C)C)C1 ZINC000895294080 583638404 /nfs/dbraw/zinc/63/84/04/583638404.db2.gz OQQDILSONWJXFQ-PNESKVBLSA-N 2 0 228.380 1.872 20 0 BDADRP CC1=NO[C@H](CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000895306245 583643718 /nfs/dbraw/zinc/64/37/18/583643718.db2.gz BLTMTKHPCBJCPT-XQQFMLRXSA-N 2 0 237.347 1.368 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+]CC2CSC2)CC1(C)C ZINC000895423434 583673404 /nfs/dbraw/zinc/67/34/04/583673404.db2.gz JNVPUWXCAMYTOC-LLVKDONJSA-N 2 0 228.405 1.812 20 0 BDADRP CCn1cncc1CN1CC[N@H+](C)C(C)(C)C1 ZINC000895565139 583693783 /nfs/dbraw/zinc/69/37/83/583693783.db2.gz VAFOODLCMHSORO-UHFFFAOYSA-N 2 0 236.363 1.429 20 0 BDADRP CC(=O)OC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000895587297 583694240 /nfs/dbraw/zinc/69/42/40/583694240.db2.gz ODQXEUVDJAYESO-YPMHNXCESA-N 2 0 242.363 1.260 20 0 BDADRP CCN1CC[C@H]1C[NH2+]C1CC(n2cccn2)C1 ZINC000895671734 583706097 /nfs/dbraw/zinc/70/60/97/583706097.db2.gz MVZLQNGDSQDYDT-CPCZMJQVSA-N 2 0 234.347 1.270 20 0 BDADRP CCN1CC[C@@H]1C[NH2+]C1CC(n2cccn2)C1 ZINC000895671735 583706116 /nfs/dbraw/zinc/70/61/16/583706116.db2.gz MVZLQNGDSQDYDT-OTTFEQOBSA-N 2 0 234.347 1.270 20 0 BDADRP Cc1nc(C)c(C)c(N[C@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC000895741038 583714092 /nfs/dbraw/zinc/71/40/92/583714092.db2.gz XEBSLTQNQUJWLL-PWSUYJOCSA-N 2 0 234.347 1.906 20 0 BDADRP CO[C@@H]1CC[C@@H](C)[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000896074702 583768465 /nfs/dbraw/zinc/76/84/65/583768465.db2.gz CNLKLSGMVFCMHX-TZMCWYRMSA-N 2 0 240.391 1.828 20 0 BDADRP COCCN1CCC[C@@H]1C[NH2+]Cc1ccoc1 ZINC000727838379 583782880 /nfs/dbraw/zinc/78/28/80/583782880.db2.gz KFVZPDCNJAVMRH-CYBMUJFWSA-N 2 0 238.331 1.480 20 0 BDADRP C[NH+](C)C(C)(C)CNc1cc[nH+]c(CO)c1 ZINC000858316207 588944369 /nfs/dbraw/zinc/94/43/69/588944369.db2.gz NMFPOFWSEQGRMY-UHFFFAOYSA-N 2 0 223.320 1.326 20 0 BDADRP CC(C)[N@H+](C)CCCNC(=[NH2+])N[C@H]1C[C@@H]1C ZINC000864453515 584005529 /nfs/dbraw/zinc/00/55/29/584005529.db2.gz XLPFVLOKWSOCHK-QWRGUYRKSA-N 2 0 226.368 1.239 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+]CC2CC[NH+](C)CC2)O1 ZINC000148650429 584023645 /nfs/dbraw/zinc/02/36/45/584023645.db2.gz QIPAWVOVBVHOEG-DGCLKSJQSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+]CC2CC[NH+](C)CC2)O1 ZINC000148650834 584023866 /nfs/dbraw/zinc/02/38/66/584023866.db2.gz QIPAWVOVBVHOEG-YPMHNXCESA-N 2 0 226.364 1.485 20 0 BDADRP C[NH+](C)[C@H](CNc1cc[nH+]c(CO)c1)C1CC1 ZINC000858393768 588950941 /nfs/dbraw/zinc/95/09/41/588950941.db2.gz ZDFGCUCBFUHDMX-CYBMUJFWSA-N 2 0 235.331 1.326 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCN1C ZINC000897813235 584047015 /nfs/dbraw/zinc/04/70/15/584047015.db2.gz IRMRAQZIRJTINQ-OSBMCDJTSA-N 2 0 236.359 1.235 20 0 BDADRP C[C@H]1C[C@H](Nc2cc[nH+]c(CO)c2)C[N@@H+]1C1CC1 ZINC000858441380 588954727 /nfs/dbraw/zinc/95/47/27/588954727.db2.gz PWRQIYLPZMTPQC-JQWIXIFHSA-N 2 0 247.342 1.611 20 0 BDADRP O[C@H](CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000898203181 584090267 /nfs/dbraw/zinc/09/02/67/584090267.db2.gz GJNTYSFQVSPHLQ-HZSPNIEDSA-N 2 0 238.375 1.364 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000866666705 584121588 /nfs/dbraw/zinc/12/15/88/584121588.db2.gz VFPHVHBOZLIKCD-AVGNSLFASA-N 2 0 224.348 1.239 20 0 BDADRP COC[C@H](C)C[NH2+][C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000873231646 584127543 /nfs/dbraw/zinc/12/75/43/584127543.db2.gz PZEYBUMNGFTYTK-GRYCIOLGSA-N 2 0 212.337 1.143 20 0 BDADRP CC[NH+](CC)[C@H](C)CNC(=[NH2+])N[C@H](C)C1CC1 ZINC000899266046 584189328 /nfs/dbraw/zinc/18/93/28/584189328.db2.gz OVCQUNHNABEICU-GHMZBOCLSA-N 2 0 240.395 1.629 20 0 BDADRP C[C@H](NC(=[NH2+])NCCCn1ccnc1)C1CC1 ZINC000899263511 584190959 /nfs/dbraw/zinc/19/09/59/584190959.db2.gz AKPSJFSDDLQUSS-JTQLQIEISA-N 2 0 235.335 1.186 20 0 BDADRP CC(C)[N@@H+](C)C[C@H](C)Nc1cc[nH+]c(CO)c1 ZINC000858548819 588964665 /nfs/dbraw/zinc/96/46/65/588964665.db2.gz PMSJAZOZZDESNJ-NSHDSACASA-N 2 0 237.347 1.715 20 0 BDADRP C(C[NH2+]C1CC1)CSCC1CC[NH2+]CC1 ZINC000899632809 584221974 /nfs/dbraw/zinc/22/19/74/584221974.db2.gz GUYHKNJSBMQJPX-UHFFFAOYSA-N 2 0 228.405 1.861 20 0 BDADRP C[NH+]1CCC2(CC[N@@H+]2CC2(O)CCC2)CC1 ZINC000899911204 584253088 /nfs/dbraw/zinc/25/30/88/584253088.db2.gz RXNSGLJKLOBVBB-UHFFFAOYSA-N 2 0 224.348 1.072 20 0 BDADRP CCOCCC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902320944 584552351 /nfs/dbraw/zinc/55/23/51/584552351.db2.gz TVJVTBAPCTUEPA-GFCCVEGCSA-N 2 0 228.380 1.781 20 0 BDADRP CN1CC[C@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902321349 584552843 /nfs/dbraw/zinc/55/28/43/584552843.db2.gz UVNQKOCWKJPEDI-NEPJUHHUSA-N 2 0 225.380 1.058 20 0 BDADRP C[N@@H+]1CCC[C@H]1CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902346424 584558460 /nfs/dbraw/zinc/55/84/60/584558460.db2.gz LUBDOMOVEWUYMP-OLZOCXBDSA-N 2 0 239.407 1.448 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCn2ccnc2)C1 ZINC000902327601 584560761 /nfs/dbraw/zinc/56/07/61/584560761.db2.gz FGVHFDQCGZQQOH-GFCCVEGCSA-N 2 0 236.363 1.251 20 0 BDADRP CC[C@@H](CCO)C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902335848 584564536 /nfs/dbraw/zinc/56/45/36/584564536.db2.gz CHJFDVCHYPMLCI-STQMWFEESA-N 2 0 242.407 1.763 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CC2(CO)CC2)C1 ZINC000902335271 584564846 /nfs/dbraw/zinc/56/48/46/584564846.db2.gz UIGNIVSZFPVPJI-LLVKDONJSA-N 2 0 226.364 1.127 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCc2cccnc2)C1 ZINC000902337725 584565037 /nfs/dbraw/zinc/56/50/37/584565037.db2.gz SCYSNRHRRMOQPB-CQSZACIVSA-N 2 0 247.386 1.992 20 0 BDADRP C[C@H](CCO)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902360326 584571259 /nfs/dbraw/zinc/57/12/59/584571259.db2.gz KWDAMWGTGLKHTN-MNOVXSKESA-N 2 0 214.353 1.125 20 0 BDADRP CC(C)[C@@](C)(O)C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902362115 584572011 /nfs/dbraw/zinc/57/20/11/584572011.db2.gz WBFVEXVHASJQIE-OCCSQVGLSA-N 2 0 242.407 1.761 20 0 BDADRP CC(C)(CO)C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902361218 584572384 /nfs/dbraw/zinc/57/23/84/584572384.db2.gz KHFWLYGTUJDHCH-LLVKDONJSA-N 2 0 228.380 1.373 20 0 BDADRP [NH3+]C1(C[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)CC1 ZINC000902409230 584575777 /nfs/dbraw/zinc/57/57/77/584575777.db2.gz JZPHLKCIHBZWJJ-SDDRHHMPSA-N 2 0 224.348 1.273 20 0 BDADRP CC(C)CO[C@H]1C[C@H]([NH2+]CC2([NH3+])CC2)C1(C)C ZINC000902412462 584576255 /nfs/dbraw/zinc/57/62/55/584576255.db2.gz AHGMHUBCFLNHBQ-RYUDHWBXSA-N 2 0 240.391 1.907 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CC2=CCOCC2)C1 ZINC000902389782 584581291 /nfs/dbraw/zinc/58/12/91/584581291.db2.gz YINTUEBRGVLTLY-ZDUSSCGKSA-N 2 0 238.375 1.701 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H](NC[C@@H]2CCCC[NH2+]2)C1 ZINC000902389935 584581314 /nfs/dbraw/zinc/58/13/14/584581314.db2.gz CMTXFPZMSDIMCI-OLZOCXBDSA-N 2 0 239.407 1.496 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CCC[C@H]2O)C1 ZINC000902391070 584581917 /nfs/dbraw/zinc/58/19/17/584581917.db2.gz SLXQSDAKSNRHSY-QJPTWQEYSA-N 2 0 226.364 1.268 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CC2=CC[NH2+]CC2)C1 ZINC000902393961 584583277 /nfs/dbraw/zinc/58/32/77/584583277.db2.gz SMFCWCFUGQVOGH-CYBMUJFWSA-N 3 0 237.391 1.274 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)C1 ZINC000902393599 584583322 /nfs/dbraw/zinc/58/33/22/584583322.db2.gz QZBOCNSBMNUMAN-OLZOCXBDSA-N 3 0 239.407 1.354 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000902393551 584584020 /nfs/dbraw/zinc/58/40/20/584584020.db2.gz PVIVMOPRCKHWHA-UPJWGTAASA-N 3 0 239.407 1.482 20 0 BDADRP CCC[C@@H](CCO)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902399037 584586232 /nfs/dbraw/zinc/58/62/32/584586232.db2.gz TZMPKYBQZFTRJX-QWHCGFSZSA-N 2 0 242.407 1.905 20 0 BDADRP NOCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000902415713 584589691 /nfs/dbraw/zinc/58/96/91/584589691.db2.gz POVDKSJEYARRCI-JHJVBQTASA-N 2 0 241.379 1.167 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cnn(CCF)c2)C1 ZINC000902445330 584598738 /nfs/dbraw/zinc/59/87/38/584598738.db2.gz KYUDWDSTMHDJJE-NWDGAFQWSA-N 2 0 240.326 1.212 20 0 BDADRP CC[NH+]1CCC(N[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000902445359 584598889 /nfs/dbraw/zinc/59/88/89/584598889.db2.gz LRVGZQXJQCXFOB-GFCCVEGCSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@H](NC[C@H]1CCCCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000902474266 584602074 /nfs/dbraw/zinc/60/20/74/584602074.db2.gz CBPRKERMWJBNHT-XQQFMLRXSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@H]1C[C@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C[N@@H+]1C1CC1 ZINC000902474487 584602087 /nfs/dbraw/zinc/60/20/87/584602087.db2.gz FPECVYALCYHSLE-GGFUIZRSSA-N 2 0 235.375 1.094 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@@H]1CCCCC[NH2+]1 ZINC000902479444 584603937 /nfs/dbraw/zinc/60/39/37/584603937.db2.gz YAPZHWNFICPAJW-AVGNSLFASA-N 2 0 225.380 1.249 20 0 BDADRP CC[C@H]([NH2+][C@H]1C[NH2+]CC1(C)C)[C@H]1CCOC1 ZINC000902450136 584606349 /nfs/dbraw/zinc/60/63/49/584606349.db2.gz RBTWNPYTVJQKSX-SRVKXCTJSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902454773 584609183 /nfs/dbraw/zinc/60/91/83/584609183.db2.gz VHQKLNGNTADZDP-WVAOPEQGSA-N 2 0 236.359 1.140 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCSC(C)(C)C1)C1C[NH2+]C1 ZINC000902455845 584609198 /nfs/dbraw/zinc/60/91/98/584609198.db2.gz ZLPZRLIIEGCDER-KOLCDFICSA-N 2 0 228.405 1.858 20 0 BDADRP [NH3+][C@H]1C[C@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c2ccccc21 ZINC000902460626 584611713 /nfs/dbraw/zinc/61/17/13/584611713.db2.gz HWFPTYHXSKXUSG-FRDLFTECSA-N 2 0 243.354 1.614 20 0 BDADRP COC1CCC([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC000902465105 584613481 /nfs/dbraw/zinc/61/34/81/584613481.db2.gz DFFJALMRBXWQBX-BEZKJRAVSA-N 2 0 224.348 1.427 20 0 BDADRP CC[N@@H+]1CC[C@@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)[C@H](C)C1 ZINC000902466573 584613914 /nfs/dbraw/zinc/61/39/14/584613914.db2.gz LZPMZDLMKOMZNI-XVIXHAIJSA-N 2 0 237.391 1.199 20 0 BDADRP C1C[NH2+][C@H]([C@@H]2CCC[C@@H]2N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC000902468233 584614472 /nfs/dbraw/zinc/61/44/72/584614472.db2.gz RYVKVTVASFOMKP-HCDMYHGNSA-N 2 0 249.402 1.390 20 0 BDADRP CC(C)[C@H](Cn1cccn1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902468817 584615692 /nfs/dbraw/zinc/61/56/92/584615692.db2.gz WIEBLKPKJPFEFO-RQJABVFESA-N 2 0 248.374 1.390 20 0 BDADRP CC(C)[C@H]1CC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902469222 584615746 /nfs/dbraw/zinc/61/57/46/584615746.db2.gz ZHLKRBOALATZSU-NAWOPXAZSA-N 2 0 208.349 1.904 20 0 BDADRP COCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902470229 584616259 /nfs/dbraw/zinc/61/62/59/584616259.db2.gz VAKXACDOENEBQG-ODXJTPSBSA-N 2 0 238.375 1.674 20 0 BDADRP C1CC1[C@H]1CC[C@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902470259 584616598 /nfs/dbraw/zinc/61/65/98/584616598.db2.gz VNFWWUHNTLXKQT-ZOLYEBIHSA-N 2 0 206.333 1.658 20 0 BDADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)C1 ZINC000902490179 584617341 /nfs/dbraw/zinc/61/73/41/584617341.db2.gz UHWNNGCKWAMJMP-QNSTZXKLSA-N 2 0 238.375 1.519 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C1 ZINC000902491282 584618116 /nfs/dbraw/zinc/61/81/16/584618116.db2.gz WVKUCTKPEGMCDT-DDHJBXDOSA-N 3 0 225.380 1.219 20 0 BDADRP Cn1ncc2c1CCC[C@H]2[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902490702 584618386 /nfs/dbraw/zinc/61/83/86/584618386.db2.gz SKICBABXFCUYCL-CKYFFXLPSA-N 2 0 234.347 1.124 20 0 BDADRP O[C@H](CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000902505847 584621381 /nfs/dbraw/zinc/62/13/81/584621381.db2.gz VMGRNIVAOALBCV-AAVRWANBSA-N 2 0 238.375 1.125 20 0 BDADRP C([NH2+]C1CCOCC1)[C@@H]1CCCCC[NH2+]1 ZINC000902481958 584623778 /nfs/dbraw/zinc/62/37/78/584623778.db2.gz ISWMUSHEANTKAW-LBPRGKRZSA-N 2 0 212.337 1.287 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@H]1NC[C@@H]1CCCCC[NH2+]1 ZINC000902482491 584623867 /nfs/dbraw/zinc/62/38/67/584623867.db2.gz LZUSOGRBJMZTKY-FRRDWIJNSA-N 2 0 225.380 1.058 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1CCCCC[NH2+]1)[C@H]1CCOC1 ZINC000902482472 584624234 /nfs/dbraw/zinc/62/42/34/584624234.db2.gz LPNUVOPDUOEEKB-MJBXVCDLSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@H]1NC[C@H]1CCCCC[NH2+]1 ZINC000902482492 584624241 /nfs/dbraw/zinc/62/42/41/584624241.db2.gz LZUSOGRBJMZTKY-JHJVBQTASA-N 2 0 225.380 1.058 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C12CCC2 ZINC000902486135 584625487 /nfs/dbraw/zinc/62/54/87/584625487.db2.gz PWSZBQUFRADMMT-ZDEQEGDKSA-N 2 0 238.375 1.661 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)c2nccn21 ZINC000902487311 584625916 /nfs/dbraw/zinc/62/59/16/584625916.db2.gz SUEQTTJCBZMIQE-DBIOUOCHSA-N 2 0 220.320 1.216 20 0 BDADRP CC(C)O[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C1(C)C ZINC000902487849 584626653 /nfs/dbraw/zinc/62/66/53/584626653.db2.gz VAELXHPHNYWDAR-ZDEQEGDKSA-N 2 0 240.391 1.905 20 0 BDADRP CC(C)O[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C1(C)C ZINC000902487844 584627026 /nfs/dbraw/zinc/62/70/26/584627026.db2.gz VAELXHPHNYWDAR-FDYHWXHSSA-N 2 0 240.391 1.905 20 0 BDADRP Cc1cc([C@@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)no1 ZINC000902488534 584627598 /nfs/dbraw/zinc/62/75/98/584627598.db2.gz YYDIFKOVMZRSOA-OPRDCNLKSA-N 2 0 209.293 1.371 20 0 BDADRP CCn1cc([C@@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)cn1 ZINC000902489896 584627618 /nfs/dbraw/zinc/62/76/18/584627618.db2.gz PZEHKUMBNFYSBL-CKYFFXLPSA-N 2 0 222.336 1.291 20 0 BDADRP COCCC[C@H](C)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902489395 584627695 /nfs/dbraw/zinc/62/76/95/584627695.db2.gz PTTPKEUDPNGDIX-DCAQKATOSA-N 2 0 200.326 1.128 20 0 BDADRP Cc1ncccc1CC[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000902514077 584629419 /nfs/dbraw/zinc/62/94/19/584629419.db2.gz PPWLENIONUFZRS-NSHDSACASA-N 2 0 219.332 1.130 20 0 BDADRP Cc1ncccc1CC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000902514150 584629639 /nfs/dbraw/zinc/62/96/39/584629639.db2.gz RAALDYZRISFGJE-SWLSCSKDSA-N 2 0 247.386 1.910 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C/C=C\Cl ZINC000902517976 584629850 /nfs/dbraw/zinc/62/98/50/584629850.db2.gz JNTRJKABXSEWSA-LVCFMKKZSA-N 2 0 206.717 1.082 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCOC1CCSCC1 ZINC000902521782 584631348 /nfs/dbraw/zinc/63/13/48/584631348.db2.gz USJKJJPRTMLUBK-NEPJUHHUSA-N 2 0 244.404 1.368 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2O)C1 ZINC000902522475 584632221 /nfs/dbraw/zinc/63/22/21/584632221.db2.gz XOZJKJCYQPGZNS-QHSBEEBCSA-N 2 0 246.354 1.504 20 0 BDADRP C[NH+](C)CCOCC[NH2+]C1CC2(CCC2)C1 ZINC000903157764 584731086 /nfs/dbraw/zinc/73/10/86/584731086.db2.gz OKDJPBUSXSUWPA-UHFFFAOYSA-N 2 0 226.364 1.487 20 0 BDADRP CN1CC[C@@H]1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000903321537 584746951 /nfs/dbraw/zinc/74/69/51/584746951.db2.gz HEDVPJSMYZQXLZ-CQSZACIVSA-N 2 0 237.391 1.155 20 0 BDADRP C[C@@H]([NH2+]C1CC(CCO)C1)C1CC[NH+](C)CC1 ZINC000903327880 584753311 /nfs/dbraw/zinc/75/33/11/584753311.db2.gz AXEIDZCTUALRQO-LKSINWNRSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)CCOc1ccccc1 ZINC000903427103 584761102 /nfs/dbraw/zinc/76/11/02/584761102.db2.gz SUTDLFOOWFFYCS-KGLIPLIRSA-N 2 0 248.370 1.853 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCc3ccc(O)cc3C2)C1 ZINC000903430853 584761392 /nfs/dbraw/zinc/76/13/92/584761392.db2.gz DXSZDQQPRUWVAU-SMDDNHRTSA-N 2 0 246.354 1.878 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903422094 584764006 /nfs/dbraw/zinc/76/40/06/584764006.db2.gz VWWMURGMUOZBDK-NDBYEHHHSA-N 2 0 225.380 1.044 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@H]3COCC[C@@H]32)C1 ZINC000903441457 584764044 /nfs/dbraw/zinc/76/40/44/584764044.db2.gz SZLQTTFFSMPUCQ-FQUUOJAGSA-N 2 0 238.375 1.615 20 0 BDADRP CC[C@H](C)[N@@H+](CC(=O)OC)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903457535 584764977 /nfs/dbraw/zinc/76/49/77/584764977.db2.gz WIYBPXFHELPBQC-TUAOUCFPSA-N 2 0 242.363 1.387 20 0 BDADRP CC(C)[C@H]1CNCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903464271 584767193 /nfs/dbraw/zinc/76/71/93/584767193.db2.gz FWXOUTBNDCOUHH-FRRDWIJNSA-N 2 0 225.380 1.044 20 0 BDADRP C[C@@H](CO)[C@H]1CCCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903464080 584767248 /nfs/dbraw/zinc/76/72/48/584767248.db2.gz YTUNUXHDOPTOQO-ZOBORPQBSA-N 2 0 240.391 1.325 20 0 BDADRP CC[C@@H]1C[C@H]1C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000903464945 584767448 /nfs/dbraw/zinc/76/74/48/584767448.db2.gz ZWKZIOGTECERQO-YVECIDJPSA-N 2 0 208.349 1.846 20 0 BDADRP CC[N@@H+]1CC[C@@H](N(C)C[C@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000903444278 584769227 /nfs/dbraw/zinc/76/92/27/584769227.db2.gz RMRDDTQAAUVAHF-BFHYXJOUSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903446401 584770087 /nfs/dbraw/zinc/77/00/87/584770087.db2.gz WGPFEGAGUFVUTI-ZBBUEOHVSA-N 2 0 237.391 1.057 20 0 BDADRP CCC[C@H]1CNCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903447544 584770431 /nfs/dbraw/zinc/77/04/31/584770431.db2.gz XBMLHZYNVKDQRD-AGIUHOORSA-N 2 0 225.380 1.188 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000903451482 584771815 /nfs/dbraw/zinc/77/18/15/584771815.db2.gz AJHRSHITFOTVRX-BFHYXJOUSA-N 3 0 237.391 1.189 20 0 BDADRP COC[C@H](C[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1)C(C)C ZINC000903464590 584771947 /nfs/dbraw/zinc/77/19/47/584771947.db2.gz SRAPFVQBMYUROL-IHRRRGAJSA-N 2 0 240.391 1.718 20 0 BDADRP C[C@@H](c1ncccn1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000903450342 584772337 /nfs/dbraw/zinc/77/23/37/584772337.db2.gz UGEJTQJGZOJRBF-RYUDHWBXSA-N 2 0 234.347 1.598 20 0 BDADRP CC(C)(C)[C@@H](CN)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903454713 584773128 /nfs/dbraw/zinc/77/31/28/584773128.db2.gz IGRYNVCXVUMNCD-OUAUKWLOSA-N 2 0 213.369 1.077 20 0 BDADRP NC[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)C1CCCCC1 ZINC000903454729 584773441 /nfs/dbraw/zinc/77/34/41/584773441.db2.gz IPEZMYYIJORHQG-KWCYVHTRSA-N 2 0 239.407 1.611 20 0 BDADRP C(C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1)OC1CC1 ZINC000903481687 584778137 /nfs/dbraw/zinc/77/81/37/584778137.db2.gz JVYCAFKAQUFAND-AWEZNQCLSA-N 2 0 238.375 1.631 20 0 BDADRP C[C@H](F)CC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903481829 584778306 /nfs/dbraw/zinc/77/83/06/584778306.db2.gz NWLCDMJDRBXVJS-QWRGUYRKSA-N 2 0 214.328 1.999 20 0 BDADRP CC1(C)C[N@H+](CC[C@H]2CCC[NH2+]C2)C[C@@H]1N ZINC000903558874 584782899 /nfs/dbraw/zinc/78/28/99/584782899.db2.gz SFSKPGPOTJFZLK-NEPJUHHUSA-N 2 0 225.380 1.045 20 0 BDADRP C[C@@H]1CCCN(C[C@H]2CCCC[NH2+]C2)[C@@H]1C[NH3+] ZINC000903716682 584791703 /nfs/dbraw/zinc/79/17/03/584791703.db2.gz BRZQTGOSVQCACN-HZSPNIEDSA-N 2 0 239.407 1.435 20 0 BDADRP C[C@@H]1CN(C[C@H]2CCCC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC000903716406 584791835 /nfs/dbraw/zinc/79/18/35/584791835.db2.gz MFAPBUVZYMANDY-XQQFMLRXSA-N 2 0 225.380 1.058 20 0 BDADRP C[NH2+]C[C@H]1CCCN1C[C@@H]1CCCC[NH2+]C1 ZINC000903716674 584791918 /nfs/dbraw/zinc/79/19/18/584791918.db2.gz BQZZEALRYMTPHD-CHWSQXEVSA-N 2 0 225.380 1.060 20 0 BDADRP CC1(C)C[NH2+]CCN1C[C@H]1CCCC[NH2+]C1 ZINC000903717261 584792069 /nfs/dbraw/zinc/79/20/69/584792069.db2.gz LWAACDOWFBYYMD-LBPRGKRZSA-N 2 0 225.380 1.060 20 0 BDADRP CCCN(C[C@@H]1CCCC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000903717101 584792125 /nfs/dbraw/zinc/79/21/25/584792125.db2.gz ZQWMENQNNFFMQE-ZIAGYGMSSA-N 2 0 239.407 1.450 20 0 BDADRP C[C@@H]1CCC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903717552 584792514 /nfs/dbraw/zinc/79/25/14/584792514.db2.gz ROUROUUMKJIFMA-RDBSUJKOSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@@]1(C2CC2)COCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000903712691 584792968 /nfs/dbraw/zinc/79/29/68/584792968.db2.gz RGWNLOKJFMJVPV-AWEZNQCLSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@H](O)CC[N@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000903730441 584793070 /nfs/dbraw/zinc/79/30/70/584793070.db2.gz WHFFVTWEJIZAGE-RYUDHWBXSA-N 2 0 214.353 1.079 20 0 BDADRP C[NH2+]CC1CC[NH+](C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903715878 584794075 /nfs/dbraw/zinc/79/40/75/584794075.db2.gz BDJQOBAUOYMOKG-CQSZACIVSA-N 3 0 239.407 1.308 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903747247 584794838 /nfs/dbraw/zinc/79/48/38/584794838.db2.gz QMBULJLJDSDCRQ-KBPBESRZSA-N 3 0 239.407 1.437 20 0 BDADRP C[C@@H]1CN(C[C@H]2CCCC[NH2+]C2)[C@H](C)C[NH2+]1 ZINC000903752391 584795257 /nfs/dbraw/zinc/79/52/57/584795257.db2.gz SDNNSOLDAUKXLL-UPJWGTAASA-N 2 0 225.380 1.058 20 0 BDADRP C([C@@H]1CCCC[NH2+]C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000903753003 584796172 /nfs/dbraw/zinc/79/61/72/584796172.db2.gz XUVUMMMDEVPLOM-MCIONIFRSA-N 2 0 237.391 1.202 20 0 BDADRP COC(=O)[C@H](C)C[N@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000903752910 584796262 /nfs/dbraw/zinc/79/62/62/584796262.db2.gz PZVQODPPLDHYHU-NEPJUHHUSA-N 2 0 242.363 1.117 20 0 BDADRP C[N@@H+](CC1=CCSC1)C[C@H]1CCCC[NH2+]C1 ZINC000903765722 584797512 /nfs/dbraw/zinc/79/75/12/584797512.db2.gz KMLUICOVDIRLNR-LBPRGKRZSA-N 2 0 240.416 1.981 20 0 BDADRP C[C@@H]1CC[C@@H](O)C[N@@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903762801 584797526 /nfs/dbraw/zinc/79/75/26/584797526.db2.gz DITBEDAAERIHJO-JHJVBQTASA-N 2 0 226.364 1.221 20 0 BDADRP CCC[N@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903756360 584798807 /nfs/dbraw/zinc/79/88/07/584798807.db2.gz QLPHEFCLFNAFRT-KBPBESRZSA-N 2 0 238.375 1.629 20 0 BDADRP FC[C@@H]1CC[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903781869 584799918 /nfs/dbraw/zinc/79/99/18/584799918.db2.gz CCRKTFMLJVZRIL-RWMBFGLXSA-N 2 0 242.338 1.046 20 0 BDADRP [NH3+]CCCCCCN1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903802077 584802265 /nfs/dbraw/zinc/80/22/65/584802265.db2.gz QXRHKQMLCQDAIF-UONOGXRCSA-N 2 0 239.407 1.709 20 0 BDADRP C[C@]12C[N@H+](CCOCC[NH3+])C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000903825916 584804644 /nfs/dbraw/zinc/80/46/44/584804644.db2.gz FEHGVRRHMISDSC-RFQIPJPRSA-N 2 0 238.375 1.330 20 0 BDADRP C[NH2+]CCC[N@@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000903827851 584805056 /nfs/dbraw/zinc/80/50/56/584805056.db2.gz YSZAPJJWIDNYKQ-RQJABVFESA-N 2 0 220.360 1.740 20 0 BDADRP [NH3+]C[C@]12CC[C@H]1CCN2Cc1cccnc1 ZINC000903855631 584809189 /nfs/dbraw/zinc/80/91/89/584809189.db2.gz OAFCFNRAANCDJG-QWHCGFSZSA-N 2 0 217.316 1.395 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869959 584814441 /nfs/dbraw/zinc/81/44/41/584814441.db2.gz LCQMXGSLPKSMMY-XQQFMLRXSA-N 2 0 224.348 1.239 20 0 BDADRP C([C@@H]1CCCC[NH2+]C1)N1CCC[C@@]12CC[NH2+]C2 ZINC000903869639 584814688 /nfs/dbraw/zinc/81/46/88/584814688.db2.gz JGJNJXNYQWTAND-KGLIPLIRSA-N 2 0 237.391 1.204 20 0 BDADRP CC[NH+](CC)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903872907 584815239 /nfs/dbraw/zinc/81/52/39/584815239.db2.gz LADOHUXKSSVNIT-NSHDSACASA-N 2 0 237.351 1.044 20 0 BDADRP CC[NH2+]CC1CCN(C[C@H]([NH3+])CC(F)F)CC1 ZINC000903874351 584815721 /nfs/dbraw/zinc/81/57/21/584815721.db2.gz YMCMABJFFLBGOH-LLVKDONJSA-N 2 0 249.349 1.290 20 0 BDADRP [NH3+][C@H](CC(F)F)CN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000903873873 584816182 /nfs/dbraw/zinc/81/61/82/584816182.db2.gz MYVSNDHQUDZAFF-ZDCRXTMVSA-N 2 0 247.333 1.028 20 0 BDADRP C[NH2+]CCC1CCN(C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903873906 584816243 /nfs/dbraw/zinc/81/62/43/584816243.db2.gz NWBQDLVQCGAUCG-NSHDSACASA-N 2 0 249.349 1.290 20 0 BDADRP CCC[N@H+](C)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903879764 584817107 /nfs/dbraw/zinc/81/71/07/584817107.db2.gz JFMNXFMBPQVDSR-GFCCVEGCSA-N 2 0 238.379 1.188 20 0 BDADRP C[C@@H]1C[C@H](N(C)C[C@@H]([NH3+])CC(F)F)CC[N@@H+]1C ZINC000903895638 584819495 /nfs/dbraw/zinc/81/94/95/584819495.db2.gz PLBOLYHWQZNNJE-OUAUKWLOSA-N 2 0 249.349 1.383 20 0 BDADRP C[C@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@H]1O ZINC000903909293 584822025 /nfs/dbraw/zinc/82/20/25/584822025.db2.gz SVNLAMKSCBTAMS-APYLGABCSA-N 2 0 238.375 1.220 20 0 BDADRP c1cc(CN[C@H]2CCC[NH2+]C2)c2c(c1)C[NH2+]CC2 ZINC000903918583 584822629 /nfs/dbraw/zinc/82/26/29/584822629.db2.gz CCRAGRILXMLTLY-AWEZNQCLSA-N 2 0 245.370 1.174 20 0 BDADRP C[C@H]1C[C@H](O)C[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903913642 584822740 /nfs/dbraw/zinc/82/27/40/584822740.db2.gz QNMURLLAADYNHU-FZMZJTMJSA-N 2 0 246.354 1.287 20 0 BDADRP [NH3+]CC[C@@H](NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(F)F ZINC000903918509 584822806 /nfs/dbraw/zinc/82/28/06/584822806.db2.gz ARWLLCJUJTVAPF-HUAZRZQGSA-N 2 0 247.333 1.089 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903921020 584823007 /nfs/dbraw/zinc/82/30/07/584823007.db2.gz ZWVQSWXURXXACD-RKFYDKJMSA-N 3 0 237.391 1.105 20 0 BDADRP [NH3+][C@@H](CNCc1cccc2c1CC[NH2+]C2)C1CC1 ZINC000903918974 584823038 /nfs/dbraw/zinc/82/30/38/584823038.db2.gz JWYPDHYRMSGHCP-HNNXBMFYSA-N 2 0 245.370 1.159 20 0 BDADRP [NH3+]C[C@H](NC[C@@H]([NH3+])CC(F)F)C1CCCC1 ZINC000903919066 584823179 /nfs/dbraw/zinc/82/31/79/584823179.db2.gz LEDMQGCSYQSFJF-UWVGGRQHSA-N 2 0 235.322 1.076 20 0 BDADRP [NH3+]C[C@H]1CC[C@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903919324 584823373 /nfs/dbraw/zinc/82/33/73/584823373.db2.gz MCJUBLHRIKDDNC-FJCXZIGKSA-N 3 0 237.391 1.234 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903920285 584823417 /nfs/dbraw/zinc/82/34/17/584823417.db2.gz RYDCLWURZIILAF-NSHDSACASA-N 3 0 233.359 1.017 20 0 BDADRP CC[N@@H+]1CCCC[C@H]1CNC[C@H]([NH3+])CC(F)F ZINC000903923144 584823834 /nfs/dbraw/zinc/82/38/34/584823834.db2.gz MNHOASYSHNPUSF-MNOVXSKESA-N 2 0 249.349 1.433 20 0 BDADRP CC(C)([NH3+])CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000903939275 584823883 /nfs/dbraw/zinc/82/38/83/584823883.db2.gz FGFVBAYEYZUQFY-UPJWGTAASA-N 2 0 239.407 1.624 20 0 BDADRP C[NH+](C)C1CCC([NH2+]C[C@H](N)CC(F)F)CC1 ZINC000903929236 584824604 /nfs/dbraw/zinc/82/46/04/584824604.db2.gz CMNPJRVBAWUWIG-KPPDAEKUSA-N 3 0 249.349 1.431 20 0 BDADRP [NH3+]C[C@]12CCC[C@H]1CN(C[C@@H]([NH3+])CC(F)F)C2 ZINC000903931991 584824756 /nfs/dbraw/zinc/82/47/56/584824756.db2.gz KUQNWFRZHYGGGO-NHCYSSNCSA-N 2 0 247.333 1.030 20 0 BDADRP CC(C)([NH3+])CC[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000903938896 584824815 /nfs/dbraw/zinc/82/48/15/584824815.db2.gz PACYTLQZUYSRMA-UHFFFAOYSA-N 2 0 238.379 1.855 20 0 BDADRP [NH3+]CC1(CC[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903931618 584824883 /nfs/dbraw/zinc/82/48/83/584824883.db2.gz GJSCXOOMMJTNAG-YHWZYXNKSA-N 3 0 237.391 1.236 20 0 BDADRP COCC1([NH2+]C[C@@H]([NH3+])CC(F)F)CCCC1 ZINC000903934024 584825061 /nfs/dbraw/zinc/82/50/61/584825061.db2.gz YYXVCZPLHNITKZ-VIFPVBQESA-N 2 0 236.306 1.518 20 0 BDADRP COC(=O)c1ccc(C[NH2+]CCC(C)(C)[NH3+])[nH]1 ZINC000903938457 584826667 /nfs/dbraw/zinc/82/66/67/584826667.db2.gz BOADHICHBOIKEB-UHFFFAOYSA-N 2 0 239.319 1.018 20 0 BDADRP Cn1nnc2cc(C[NH2+]CCC(C)(C)[NH3+])ccc21 ZINC000903938826 584826791 /nfs/dbraw/zinc/82/67/91/584826791.db2.gz MCEGGTBZVFWYTK-UHFFFAOYSA-N 2 0 247.346 1.185 20 0 BDADRP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000903917460 584826961 /nfs/dbraw/zinc/82/69/61/584826961.db2.gz LZWYJODYAAKWBJ-SCXOTVEISA-N 3 0 249.402 1.201 20 0 BDADRP C[NH2+]CCC[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903916986 584827142 /nfs/dbraw/zinc/82/71/42/584827142.db2.gz JFTMWTHBORGLKK-UHFFFAOYSA-N 3 0 233.359 1.031 20 0 BDADRP [NH3+]CC1(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000903959173 584827692 /nfs/dbraw/zinc/82/76/92/584827692.db2.gz CKYWJIIBMFEJJP-CQSZACIVSA-N 3 0 237.391 1.191 20 0 BDADRP C(N1CCCC[C@]2(CC[NH2+]C2)C1)[C@]12C[C@H]1C[NH2+]C2 ZINC000903959897 584827923 /nfs/dbraw/zinc/82/79/23/584827923.db2.gz RKQSKJRFNUYNDO-RRFJBIMHSA-N 2 0 249.402 1.062 20 0 BDADRP C[C@H]1C[C@@H](C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC[NH2+]1 ZINC000903953699 584831571 /nfs/dbraw/zinc/83/15/71/584831571.db2.gz JEPSASZRNGYPIY-YHQUGGNUSA-N 2 0 238.375 1.077 20 0 BDADRP Nc1ccnc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000903954363 584831931 /nfs/dbraw/zinc/83/19/31/584831931.db2.gz ROXLWJMSTJWCEM-NQBHXWOUSA-N 2 0 246.358 1.142 20 0 BDADRP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]CC[C@H]1CCOC1 ZINC000903956182 584831981 /nfs/dbraw/zinc/83/19/81/584831981.db2.gz ILECAQPUNWVRAE-QWRGUYRKSA-N 2 0 248.317 1.247 20 0 BDADRP Nc1cc[nH+]c(CN[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000903954775 584832271 /nfs/dbraw/zinc/83/22/71/584832271.db2.gz VJLBNYJVTFYQDH-GXSJLCMTSA-N 2 0 220.320 1.023 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C[C@H]1CC[NH3+] ZINC000903978132 584832991 /nfs/dbraw/zinc/83/29/91/584832991.db2.gz GDWZHMKFOIGJCM-XJFOESAGSA-N 3 0 239.407 1.291 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]CC[C@@H]1CCOC1 ZINC000903978742 584833217 /nfs/dbraw/zinc/83/32/17/584833217.db2.gz LLZVNYUDEPKPRI-JHJVBQTASA-N 2 0 226.364 1.248 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000903963646 584833439 /nfs/dbraw/zinc/83/34/39/584833439.db2.gz DKTKPBZGLDZLSN-RKQHYHRCSA-N 2 0 237.391 1.105 20 0 BDADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1C[NH2+]C[C@H]1C ZINC000903964133 584834135 /nfs/dbraw/zinc/83/41/35/584834135.db2.gz MSQAOMGFEPLOBL-XJFOESAGSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000903987049 584835742 /nfs/dbraw/zinc/83/57/42/584835742.db2.gz XJOWVPCQVNZHSO-ASEORRQLSA-N 2 0 238.375 1.674 20 0 BDADRP CC1(C)C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1N ZINC000903987099 584836117 /nfs/dbraw/zinc/83/61/17/584836117.db2.gz XROZPFATUJMOSR-WVMKXHBISA-N 2 0 237.391 1.186 20 0 BDADRP C[N@H+](Cc1ccc(C[NH3+])cc1)C1CC[NH2+]CC1 ZINC000904299248 584860317 /nfs/dbraw/zinc/86/03/17/584860317.db2.gz AFATWFPNDXCRQW-UHFFFAOYSA-N 3 0 233.359 1.329 20 0 BDADRP C[C@H]1C[NH2+]CCN1C[C@H]([NH3+])CCC(C)(C)C ZINC000904299858 584860625 /nfs/dbraw/zinc/86/06/25/584860625.db2.gz PSJBNUQMROVRDJ-NWDGAFQWSA-N 2 0 227.396 1.434 20 0 BDADRP C[C@@H]1CN(C[C@@]2(C)CCC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000904299681 584860634 /nfs/dbraw/zinc/86/06/34/584860634.db2.gz LOTMHTBPLUHNTC-AGIUHOORSA-N 2 0 225.380 1.045 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CN1CCC[C@H](CO)C1 ZINC000904301320 584861029 /nfs/dbraw/zinc/86/10/29/584861029.db2.gz KKNKHZYJAODIIU-STQMWFEESA-N 2 0 242.407 1.844 20 0 BDADRP CC(C)[C@@H]([NH3+])CCN(C)C[C@]1(C)CCC[NH2+]C1 ZINC000904301340 584861207 /nfs/dbraw/zinc/86/12/07/584861207.db2.gz KPDKIGGLMMSDBG-UONOGXRCSA-N 2 0 241.423 1.681 20 0 BDADRP C[C@@H]1[C@H](C)[NH2+]CCN1C[C@@H]([NH3+])CCC(C)(C)C ZINC000904301163 584861243 /nfs/dbraw/zinc/86/12/43/584861243.db2.gz HYLUHZWCJWHZBB-XQQFMLRXSA-N 2 0 241.423 1.822 20 0 BDADRP C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904303760 584862101 /nfs/dbraw/zinc/86/21/01/584862101.db2.gz GNLFMNJQMABQND-TXEJJXNPSA-N 2 0 248.326 1.584 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCc3ccc(F)cc3C2)C1 ZINC000904321171 584864027 /nfs/dbraw/zinc/86/40/27/584864027.db2.gz VRLLTKYUPKIKSI-WJONMLJTSA-N 2 0 234.318 1.921 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@H+](CCO)CCc2ccccc2)C1 ZINC000904320755 584864222 /nfs/dbraw/zinc/86/42/22/584864222.db2.gz OBYPEVGUOBQFOC-GASCZTMLSA-N 2 0 248.370 1.261 20 0 BDADRP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904325298 584865511 /nfs/dbraw/zinc/86/55/11/584865511.db2.gz VHXFEQGZKVCVKI-HZSPNIEDSA-N 3 0 239.407 1.530 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+]C2(CO)CCCCC2)C1 ZINC000904330780 584866272 /nfs/dbraw/zinc/86/62/72/584866272.db2.gz CGQISHCQNMKHJE-PHIMTYICSA-N 2 0 212.337 1.009 20 0 BDADRP CC(C)[C@H]1CN(C[C@]2(C)CCC[NH2+]C2)CC[NH2+]1 ZINC000904334233 584866394 /nfs/dbraw/zinc/86/63/94/584866394.db2.gz PSNVLZOUBWIGHK-ZIAGYGMSSA-N 2 0 239.407 1.306 20 0 BDADRP [NH3+]CCC[N@@H+](Cc1ccccc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904333986 584866547 /nfs/dbraw/zinc/86/65/47/584866547.db2.gz IJZUGDSKXIIRIA-GASCZTMLSA-N 3 0 247.386 1.575 20 0 BDADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC000904334351 584866726 /nfs/dbraw/zinc/86/67/26/584866726.db2.gz UEWSJCKFBWYEGE-CQSZACIVSA-N 3 0 247.386 1.706 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@]2(C)CCC[NH2+]C2)CC[C@H]1O ZINC000904341482 584867168 /nfs/dbraw/zinc/86/71/68/584867168.db2.gz RWKLUHKDQLUERY-UPJWGTAASA-N 2 0 226.364 1.079 20 0 BDADRP C[C@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H](C2CC2)O1 ZINC000904342345 584867279 /nfs/dbraw/zinc/86/72/79/584867279.db2.gz DQYVGDGOYRRUQZ-YRRQLQLVSA-N 2 0 224.348 1.223 20 0 BDADRP C[N@H+](CCCCO)C[C@@]1(C)CCC[NH2+]C1 ZINC000904341351 584867339 /nfs/dbraw/zinc/86/73/39/584867339.db2.gz OCYMJTGAJOMLQG-LBPRGKRZSA-N 2 0 214.353 1.080 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@H](OCC3CC3)C2)C1 ZINC000904341567 584867378 /nfs/dbraw/zinc/86/73/78/584867378.db2.gz PKWXPHQQSYHCGL-MJBXVCDLSA-N 2 0 238.375 1.615 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)C1 ZINC000904350504 584868993 /nfs/dbraw/zinc/86/89/93/584868993.db2.gz NKSUELOLIBTYFN-SYQHCUMBSA-N 3 0 237.391 1.045 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C[NH2+]C2CC(C[NH3+])C2)cc1 ZINC000904350079 584869026 /nfs/dbraw/zinc/86/90/26/584869026.db2.gz HHEVJGNJOAWLLK-PWQPVHBWSA-N 3 0 233.359 1.533 20 0 BDADRP C[C@]1(CN2CC[C@H]3[NH2+]CC[C@H]3C2)CCC[NH2+]C1 ZINC000904350851 584869272 /nfs/dbraw/zinc/86/92/72/584869272.db2.gz QPCGHPRCNWZOQN-MJBXVCDLSA-N 2 0 237.391 1.060 20 0 BDADRP C[C@H](C[NH3+])CNC[C@H]([NH3+])CCC(C)(C)C ZINC000904353012 584869869 /nfs/dbraw/zinc/86/98/69/584869869.db2.gz GDUKWXFMQKVMBI-GHMZBOCLSA-N 3 0 215.385 1.324 20 0 BDADRP CC(C)C[C@H](C[NH3+])NCc1ccc(C[NH3+])cc1 ZINC000904352772 584869963 /nfs/dbraw/zinc/86/99/63/584869963.db2.gz AEGKTXPKQHKHCG-CQSZACIVSA-N 2 0 235.375 1.608 20 0 BDADRP N[C@H](C[NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccccc1 ZINC000904354452 584870372 /nfs/dbraw/zinc/87/03/72/584870372.db2.gz YSGSRARBVOGTIN-KGYLQXTDSA-N 2 0 219.332 1.013 20 0 BDADRP CC1(C[NH2+]C[C@]2(C)CCC[NH2+]C2)CC[NH2+]CC1 ZINC000904354515 584870478 /nfs/dbraw/zinc/87/04/78/584870478.db2.gz AWHVTJSTCMYZTE-CQSZACIVSA-N 3 0 239.407 1.355 20 0 BDADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2nccn2C2CC2)C1 ZINC000904355363 584871029 /nfs/dbraw/zinc/87/10/29/584871029.db2.gz QTISNDZILUFHNX-MNOVXSKESA-N 2 0 234.347 1.435 20 0 BDADRP CC1(C[NH2+]Cc2nccn2C2CC2)CC[NH2+]CC1 ZINC000904355581 584871198 /nfs/dbraw/zinc/87/11/98/584871198.db2.gz PGRQMZQKHDFCSA-UHFFFAOYSA-N 2 0 248.374 1.697 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+]C[C@@H]2NCCc3ccccc32)C1 ZINC000904355482 584871392 /nfs/dbraw/zinc/87/13/92/584871392.db2.gz OFHDYZPAEOIEOJ-LNSITVRQSA-N 2 0 245.370 1.200 20 0 BDADRP CN(CC[NH2+]C1CC(C[NH3+])C1)C1CCCC1 ZINC000904361951 584872079 /nfs/dbraw/zinc/87/20/79/584872079.db2.gz CYNBFASQSSXYJX-UHFFFAOYSA-N 2 0 225.380 1.188 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2COc3ccccc3C2)C1 ZINC000904361928 584872198 /nfs/dbraw/zinc/87/21/98/584872198.db2.gz CIUHUYSWJRINIR-KGYLQXTDSA-N 2 0 232.327 1.317 20 0 BDADRP [NH3+]Cc1ccc(CN[C@H]2CCCC[NH2+]C2)cc1 ZINC000904358309 584872311 /nfs/dbraw/zinc/87/23/11/584872311.db2.gz KITDFGVQXUAQLR-AWEZNQCLSA-N 2 0 233.359 1.377 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CN1CC[NH2+]C(C)(C)C1 ZINC000904358092 584872451 /nfs/dbraw/zinc/87/24/51/584872451.db2.gz HSNIQDSUKTUKAH-LBPRGKRZSA-N 2 0 241.423 1.824 20 0 BDADRP CN(C)[C@H](C[NH2+]C1CC(C[NH3+])C1)c1ccccc1 ZINC000904367588 584872655 /nfs/dbraw/zinc/87/26/55/584872655.db2.gz FRLZITPMVBFWJM-PESDSKBTSA-N 2 0 247.386 1.616 20 0 BDADRP CC[NH+](CC)CCC[NH2+]C1CC(C[NH3+])C1 ZINC000904368796 584872678 /nfs/dbraw/zinc/87/26/78/584872678.db2.gz VNKIBHAHIGHCNA-UHFFFAOYSA-N 3 0 213.369 1.045 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCNC[C@@H]2c2ccccc2)C1 ZINC000904371679 584873009 /nfs/dbraw/zinc/87/30/09/584873009.db2.gz QVCUMFFZMGSYIT-VHDGCEQUSA-N 2 0 245.370 1.370 20 0 BDADRP [NH3+]Cc1ccc(CN2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC000904372924 584873582 /nfs/dbraw/zinc/87/35/82/584873582.db2.gz JWHFTRKRFRULMY-OAHLLOKOSA-N 2 0 245.370 1.473 20 0 BDADRP [NH3+]Cc1ccc(CN2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC000904372923 584873663 /nfs/dbraw/zinc/87/36/63/584873663.db2.gz JWHFTRKRFRULMY-HNNXBMFYSA-N 2 0 245.370 1.473 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1C[NH3+] ZINC000904373550 584873677 /nfs/dbraw/zinc/87/36/77/584873677.db2.gz SYNLNTRVAVDNEE-FHUSYTEZSA-N 3 0 225.380 1.029 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)C1 ZINC000904373210 584873681 /nfs/dbraw/zinc/87/36/81/584873681.db2.gz CJFKADASNBNJCQ-YIYPIFLZSA-N 2 0 238.375 1.615 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CN[C@@H]1CCCC[C@H]1[NH3+] ZINC000904373140 584873847 /nfs/dbraw/zinc/87/38/47/584873847.db2.gz BOAPRVJYFRTQJD-YNEHKIRRSA-N 2 0 241.423 2.000 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+]CC2(CCO)CCCC2)C1 ZINC000904363756 584874456 /nfs/dbraw/zinc/87/44/56/584874456.db2.gz BWGZTUPBFXVKQE-TXEJJXNPSA-N 2 0 226.364 1.256 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCCO1 ZINC000904362973 584874602 /nfs/dbraw/zinc/87/46/02/584874602.db2.gz VOICOMMXLVDURM-WHOHXGKFSA-N 2 0 212.337 1.271 20 0 BDADRP CC1(C)CN(C[C@]2(C)CCC[NH2+]C2)C[C@@H]1[NH3+] ZINC000904388345 584874617 /nfs/dbraw/zinc/87/46/17/584874617.db2.gz HMUPSBCZJKICPD-WCQYABFASA-N 2 0 225.380 1.045 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@]2(C)CCC[NH2+]C2)C[C@H]1CC[NH3+] ZINC000904389155 584875004 /nfs/dbraw/zinc/87/50/04/584875004.db2.gz SHVLALXITMNNSA-MCIONIFRSA-N 3 0 239.407 1.293 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+]C[C@H]2C[C@@H]([NH3+])C2)c(F)c1 ZINC000904375585 584875591 /nfs/dbraw/zinc/87/55/91/584875591.db2.gz CGJMWBDOKPMZNW-KLPPZKSPSA-N 3 0 237.322 1.111 20 0 BDADRP CN(CC(C)(C)[NH3+])C[C@@]1(C)CCC[NH2+]C1 ZINC000904377159 584875890 /nfs/dbraw/zinc/87/58/90/584875890.db2.gz JSDQXNBNPNXFHY-LBPRGKRZSA-N 2 0 213.369 1.045 20 0 BDADRP C[C@]1(C[NH2+]Cc2cccc(N)c2)CCC[NH2+]C1 ZINC000904377859 584876023 /nfs/dbraw/zinc/87/60/23/584876023.db2.gz ZQQMKINANSSTHL-AWEZNQCLSA-N 2 0 233.359 1.748 20 0 BDADRP Cc1noc([C@H](C)[N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)n1 ZINC000904376459 584876283 /nfs/dbraw/zinc/87/62/83/584876283.db2.gz SSNGWLKAKDHADT-UJNFCWOMSA-N 2 0 224.308 1.108 20 0 BDADRP CC1(C)C[C@@H](O)C[N@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904383928 584877314 /nfs/dbraw/zinc/87/73/14/584877314.db2.gz DDWVXYZLCTUESB-OCCSQVGLSA-N 2 0 240.391 1.469 20 0 BDADRP CC1(C)C[C@@H](O)C[N@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904383929 584877364 /nfs/dbraw/zinc/87/73/64/584877364.db2.gz DDWVXYZLCTUESB-TZMCWYRMSA-N 2 0 240.391 1.469 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cccc3c2NCC3)C1 ZINC000904405634 584878745 /nfs/dbraw/zinc/87/87/45/584878745.db2.gz LTGPCACHEQHMFT-GFCCVEGCSA-N 2 0 245.370 1.825 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904407112 584879080 /nfs/dbraw/zinc/87/90/80/584879080.db2.gz NJGQMKMVVWFLDN-VXGBXAGGSA-N 3 0 213.369 1.031 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](CC2=CCCOC2)C1 ZINC000904407330 584879124 /nfs/dbraw/zinc/87/91/24/584879124.db2.gz TYFUSASIPDRIEX-NSHDSACASA-N 2 0 210.321 1.004 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccc(C[NH3+])cc2)CC[C@H]1C[NH3+] ZINC000904410922 584879277 /nfs/dbraw/zinc/87/92/77/584879277.db2.gz RSEHBIOTRIALNU-WFASDCNBSA-N 3 0 247.386 1.562 20 0 BDADRP Cc1cc([C@H](C)[NH2+][C@H](C)CCCC[NH3+])n(C)n1 ZINC000817976955 584993730 /nfs/dbraw/zinc/99/37/30/584993730.db2.gz XOKRQPHMZDZDJD-PWSUYJOCSA-N 2 0 238.379 1.897 20 0 BDADRP C[C@@H]1CN(CC[C@H]2CCCC[N@@H+]2C)CC[NH+]1C ZINC000761079510 585406797 /nfs/dbraw/zinc/40/67/97/585406797.db2.gz ZXMDERBLMWPIFG-ZIAGYGMSSA-N 2 0 239.407 1.497 20 0 BDADRP CC[C@H]([NH2+]CCN1CCC[C@H]1C)[C@H]1CCOC1 ZINC000766272018 585500199 /nfs/dbraw/zinc/50/01/99/585500199.db2.gz WYURLAKBHQILGH-RDBSUJKOSA-N 2 0 240.391 1.875 20 0 BDADRP C[NH+](C)CC1CC[NH+](C[C@@H]2CCC=CO2)CC1 ZINC000774836173 585666837 /nfs/dbraw/zinc/66/68/37/585666837.db2.gz QIXHLUNEYRDPKT-AWEZNQCLSA-N 2 0 238.375 1.953 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOC2CCC2)[C@H](C)C1 ZINC000777119739 585708723 /nfs/dbraw/zinc/70/87/23/585708723.db2.gz CQQROETWMFFOTO-TZMCWYRMSA-N 2 0 240.391 1.875 20 0 BDADRP FCc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000777559691 585715199 /nfs/dbraw/zinc/71/51/99/585715199.db2.gz ISEUDLWCIVQIFX-KBPBESRZSA-N 2 0 234.318 1.807 20 0 BDADRP C[C@@H]1CC[C@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000783213109 585830939 /nfs/dbraw/zinc/83/09/39/585830939.db2.gz UPGNTJCOMFVRBG-TZMCWYRMSA-N 2 0 239.407 1.401 20 0 BDADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)CC[NH+](C)C)C1 ZINC000792199320 585997492 /nfs/dbraw/zinc/99/74/92/585997492.db2.gz DFTSVFIAAKJZDX-TUAOUCFPSA-N 2 0 242.363 1.258 20 0 BDADRP C[N@@H+]1CC[C@H](NCc2ccon2)[C@@H]2CCC[C@H]21 ZINC000796788365 586112752 /nfs/dbraw/zinc/11/27/52/586112752.db2.gz JLSZVDOMDRRHCI-RWMBFGLXSA-N 2 0 235.331 1.637 20 0 BDADRP C[C@H](O)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178575 586165378 /nfs/dbraw/zinc/16/53/78/586165378.db2.gz VSROMGNXVONKIL-LBPRGKRZSA-N 2 0 226.364 1.175 20 0 BDADRP CC(C)C(=O)CC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000808709433 586483241 /nfs/dbraw/zinc/48/32/41/586483241.db2.gz ASRCDQWONHAHKD-UHFFFAOYSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1CC[N@H+](C)C1 ZINC000817888104 586832282 /nfs/dbraw/zinc/83/22/82/586832282.db2.gz APGVWMCURJWDGY-QEJZJMRPSA-N 2 0 247.386 1.239 20 0 BDADRP CCc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])[nH]n1 ZINC000817893772 586833571 /nfs/dbraw/zinc/83/35/71/586833571.db2.gz VMWFPFLUSFWZLN-ZWNOBZJWSA-N 2 0 236.363 1.579 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC000817893851 586833653 /nfs/dbraw/zinc/83/36/53/586833653.db2.gz JDDFIRQQLXJZGU-QLFBSQMISA-N 2 0 248.370 1.970 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCOc1cccnc1 ZINC000817894430 586833664 /nfs/dbraw/zinc/83/36/64/586833664.db2.gz YTEMFCZULAGTOQ-OCCSQVGLSA-N 2 0 249.358 1.568 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCOc1cccnc1 ZINC000817894428 586833787 /nfs/dbraw/zinc/83/37/87/586833787.db2.gz YTEMFCZULAGTOQ-GXTWGEPZSA-N 2 0 249.358 1.568 20 0 BDADRP [NH3+]CC1CCC([NH2+]C[C@@H](O)c2ccccc2)CC1 ZINC000817894637 586833863 /nfs/dbraw/zinc/83/38/63/586833863.db2.gz OJBCNHCSXMQWTJ-PESDSKBTSA-N 2 0 248.370 1.827 20 0 BDADRP CCc1cc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])[nH]n1 ZINC000817893769 586834008 /nfs/dbraw/zinc/83/40/08/586834008.db2.gz VMWFPFLUSFWZLN-GWCFXTLKSA-N 2 0 236.363 1.579 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@H](O)c1ccccc1 ZINC000817893849 586834332 /nfs/dbraw/zinc/83/43/32/586834332.db2.gz JDDFIRQQLXJZGU-ILXRZTDVSA-N 2 0 248.370 1.970 20 0 BDADRP CCCCCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000817893230 586834432 /nfs/dbraw/zinc/83/44/32/586834432.db2.gz CZJQTYLBJVVSLX-JHJVBQTASA-N 2 0 228.380 1.909 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCNc1ccccc1 ZINC000817901474 586836380 /nfs/dbraw/zinc/83/63/80/586836380.db2.gz WJSJJCPPFBXZBD-CHWSQXEVSA-N 2 0 219.332 1.568 20 0 BDADRP CC(C)C[C@H](O)C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000817906034 586836994 /nfs/dbraw/zinc/83/69/94/586836994.db2.gz SFEIRYYYQINATM-MXWKQRLJSA-N 2 0 202.342 1.109 20 0 BDADRP CC1(O)CCC([NH2+][C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000817912529 586837841 /nfs/dbraw/zinc/83/78/41/586837841.db2.gz JRZKYUGHXNFGOB-QPPOZKHWSA-N 2 0 240.391 1.930 20 0 BDADRP C[C@H](NCC[N@@H+]1CCC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000817912350 586838471 /nfs/dbraw/zinc/83/84/71/586838471.db2.gz GJFOLGAYJMAQTG-FRRDWIJNSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@](C)(O)c1cccs1 ZINC000817911453 586838675 /nfs/dbraw/zinc/83/86/75/586838675.db2.gz AQSAXXHTWJWXEY-JBLDHEPKSA-N 2 0 242.388 1.671 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CCC(C)(O)CC1 ZINC000817913805 586839209 /nfs/dbraw/zinc/83/92/09/586839209.db2.gz SWADAPKEYKFGFC-AHPWVWPOSA-N 2 0 240.391 1.658 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CCN1CCC[C@@H]1C ZINC000817913673 586839749 /nfs/dbraw/zinc/83/97/49/586839749.db2.gz QFMWJCNHWMFTQX-STQMWFEESA-N 2 0 227.396 1.578 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCN1CCC[C@@H]1C ZINC000817913671 586839803 /nfs/dbraw/zinc/83/98/03/586839803.db2.gz QFMWJCNHWMFTQX-OLZOCXBDSA-N 2 0 227.396 1.578 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cccnc1F ZINC000817926845 586841733 /nfs/dbraw/zinc/84/17/33/586841733.db2.gz AUKKLDYREVSMEA-ZYHUDNBSSA-N 2 0 237.322 1.828 20 0 BDADRP [NH3+]CCc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000817949137 586847110 /nfs/dbraw/zinc/84/71/10/586847110.db2.gz OGZXOVOZEZBCML-HUUCEWRRSA-N 3 0 247.386 1.405 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1NCc1ccc(CC[NH3+])cc1 ZINC000817948174 586847286 /nfs/dbraw/zinc/84/72/86/586847286.db2.gz FWGLAOFPBODLAZ-DOMZBBRYSA-N 2 0 247.386 1.275 20 0 BDADRP [NH3+]CCCCCCC[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000818340173 586887115 /nfs/dbraw/zinc/88/71/15/586887115.db2.gz JDZHEFQWCLEFGB-CHWSQXEVSA-N 3 0 227.396 1.755 20 0 BDADRP CC[NH2+]CC(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000818525037 586897293 /nfs/dbraw/zinc/89/72/93/586897293.db2.gz VIUCNFKLHNNXNU-VIFPVBQESA-N 2 0 221.304 1.254 20 0 BDADRP C[C@H](CC[NH2+]C[C@@H](O)C1CC1)[NH+]1CCCCC1 ZINC000819231514 586941270 /nfs/dbraw/zinc/94/12/70/586941270.db2.gz XNUZXQUTSVUHQD-TZMCWYRMSA-N 2 0 240.391 1.611 20 0 BDADRP O[C@@H](C[NH2+]CCCCC[NH+]1CCCC1)C1CC1 ZINC000819334068 586953233 /nfs/dbraw/zinc/95/32/33/586953233.db2.gz UMUIMLGXSNVQHT-AWEZNQCLSA-N 2 0 240.391 1.613 20 0 BDADRP O[C@H](C[NH2+]Cc1ccc2c[nH+]cn2c1)C1CC1 ZINC000819362165 586956932 /nfs/dbraw/zinc/95/69/32/586956932.db2.gz YTMAQPQFFHACLI-CYBMUJFWSA-N 2 0 231.299 1.195 20 0 BDADRP C[C@@H]([NH2+]C[C@H](C)O)c1cccc(C[NH+](C)C)c1 ZINC000820803372 587072980 /nfs/dbraw/zinc/07/29/80/587072980.db2.gz OBIUWAFBAOGTAC-NWDGAFQWSA-N 2 0 236.359 1.780 20 0 BDADRP COCC1CCC([NH2+][C@@H]2CCN(C)C2)CC1 ZINC000823812018 587241000 /nfs/dbraw/zinc/24/10/00/587241000.db2.gz CVVKDGRJGMUPDD-WXRRBKDZSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H](O)CC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000829443941 587497692 /nfs/dbraw/zinc/49/76/92/587497692.db2.gz LWMSCKODYKBFJU-ZDUSSCGKSA-N 2 0 240.391 1.565 20 0 BDADRP [NH3+]CCCCCCC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000832458030 587661421 /nfs/dbraw/zinc/66/14/21/587661421.db2.gz ARIVBSRMQRIDGS-LBPRGKRZSA-N 2 0 241.379 1.093 20 0 BDADRP CCCCCC[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH3+] ZINC000832726321 587679891 /nfs/dbraw/zinc/67/98/91/587679891.db2.gz OEENKDDHYXLACY-LBPRGKRZSA-N 2 0 243.395 1.304 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)CCCCCC[NH3+])C1 ZINC000834460363 587755529 /nfs/dbraw/zinc/75/55/29/587755529.db2.gz JCFIHBBSOMYRKI-RYUDHWBXSA-N 2 0 241.379 1.091 20 0 BDADRP [NH3+]Cc1cccc(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)c1 ZINC000834861520 587768876 /nfs/dbraw/zinc/76/88/76/587768876.db2.gz JDMCHPRZMSQVJY-AAEUAGOBSA-N 2 0 247.342 1.003 20 0 BDADRP c1ccc([C@@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)nc1 ZINC000836694242 587835856 /nfs/dbraw/zinc/83/58/56/587835856.db2.gz FLOIGXXENAJJTG-CQSZACIVSA-N 2 0 245.370 1.871 20 0 BDADRP CCCCC[C@@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000841030052 587935027 /nfs/dbraw/zinc/93/50/27/587935027.db2.gz QRFPMYWCBCZCSX-CQSZACIVSA-N 2 0 241.423 1.840 20 0 BDADRP COC[C@@H](C)C[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841033067 587936872 /nfs/dbraw/zinc/93/68/72/587936872.db2.gz JREPKIAHROSRNA-LBPRGKRZSA-N 2 0 236.359 1.560 20 0 BDADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccc(Cl)nc2)C1 ZINC000841083386 587946081 /nfs/dbraw/zinc/94/60/81/587946081.db2.gz BTUDMAGNRVQYKJ-KOLCDFICSA-N 2 0 239.750 1.952 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)CCCCC[NH3+])c1 ZINC000841846553 587977134 /nfs/dbraw/zinc/97/71/34/587977134.db2.gz XUYFIAZYCFTIFN-UHFFFAOYSA-N 2 0 249.358 1.864 20 0 BDADRP [NH3+]CCCCCCC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000841851907 587978216 /nfs/dbraw/zinc/97/82/16/587978216.db2.gz RMFUFYIRCOVAEB-NEPJUHHUSA-N 2 0 241.379 1.282 20 0 BDADRP [NH3+]CCCCCCC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000841851910 587978393 /nfs/dbraw/zinc/97/83/93/587978393.db2.gz RMFUFYIRCOVAEB-VXGBXAGGSA-N 2 0 241.379 1.282 20 0 BDADRP C[NH2+]CCN(C)CCCCCCC[NH3+] ZINC000842473826 588028978 /nfs/dbraw/zinc/02/89/78/588028978.db2.gz KBYWVSSFMKMFIW-UHFFFAOYSA-N 3 0 201.358 1.047 20 0 BDADRP C[C@@H]1C[N@H+](CCCCCCC[NH3+])[C@@H](C)CN1C ZINC000842476916 588029947 /nfs/dbraw/zinc/02/99/47/588029947.db2.gz XBTAFWUMHLZARX-KGLIPLIRSA-N 2 0 241.423 1.920 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)C[C@H]([NH3+])C2CC2)c1 ZINC000842515233 588032085 /nfs/dbraw/zinc/03/20/85/588032085.db2.gz NFURWBQQKDRVIW-ZDUSSCGKSA-N 2 0 247.342 1.520 20 0 BDADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CC[NH2+]CC1 ZINC000843054387 588077132 /nfs/dbraw/zinc/07/71/32/588077132.db2.gz WSJNAYOJXMLKEB-AGUYFDCRSA-N 3 0 237.391 1.330 20 0 BDADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C[C@H]1CCC[NH2+]C1 ZINC000843053942 588077135 /nfs/dbraw/zinc/07/71/35/588077135.db2.gz MNRNUOBIEUCAAD-FUDCBSFHSA-N 2 0 237.391 1.330 20 0 BDADRP CC(C)[N@@H+]1CCCN(C[C@@H]2CCC[NH2+]2)CC1 ZINC000843059682 588077507 /nfs/dbraw/zinc/07/75/07/588077507.db2.gz PMZHWHZHKVUOMW-ZDUSSCGKSA-N 2 0 225.380 1.155 20 0 BDADRP C[C@H]1C[C@@H](C[N@H+](C)C2CCC([NH3+])CC2)CC[NH2+]1 ZINC000843054829 588077551 /nfs/dbraw/zinc/07/75/51/588077551.db2.gz JSMRNBFNQBJVLZ-FEPKRQSRSA-N 3 0 239.407 1.576 20 0 BDADRP C[C@@H]1C[C@@H](C[N@H+](C)C2CCC([NH3+])CC2)CC[NH2+]1 ZINC000843054831 588078035 /nfs/dbraw/zinc/07/80/35/588078035.db2.gz JSMRNBFNQBJVLZ-KBHBFKLGSA-N 3 0 239.407 1.576 20 0 BDADRP [NH3+]C1CCC([NH2+]Cc2cnc3cnccn23)CC1 ZINC000843105246 588081740 /nfs/dbraw/zinc/08/17/40/588081740.db2.gz SINFQKBUCTVIKC-UHFFFAOYSA-N 2 0 245.330 1.089 20 0 BDADRP [NH3+][C@@H]1CN(C[C@@H]2CCC[NH2+]2)C[C@H]1c1ccccc1 ZINC000843114009 588082341 /nfs/dbraw/zinc/08/23/41/588082341.db2.gz FXOZZNOUOYVKOE-SOUVJXGZSA-N 2 0 245.370 1.165 20 0 BDADRP CCc1nc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)co1 ZINC000843339838 588100532 /nfs/dbraw/zinc/10/05/32/588100532.db2.gz HHXIZDXEXDXIQC-GRYCIOLGSA-N 2 0 249.358 1.715 20 0 BDADRP Fc1ncccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000843339652 588100594 /nfs/dbraw/zinc/10/05/94/588100594.db2.gz CFLDXBRNCCZGSF-WCFLWFBJSA-N 2 0 249.333 1.698 20 0 BDADRP Cc1cc([C@@H](C)[NH2+]CCCCCC[NH3+])nn1C ZINC000843340658 588101000 /nfs/dbraw/zinc/10/10/00/588101000.db2.gz DCAZRQBEJYLOEK-GFCCVEGCSA-N 2 0 238.379 1.898 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCCCCC[NH3+])CC[N@@H+]1C ZINC000843342416 588101478 /nfs/dbraw/zinc/10/14/78/588101478.db2.gz QLAILXKWLCADKH-OLZOCXBDSA-N 3 0 227.396 1.578 20 0 BDADRP Cc1nccnc1[C@H](C)[NH2+]CCCCCC[NH3+] ZINC000843342823 588101637 /nfs/dbraw/zinc/10/16/37/588101637.db2.gz UUSWUNVLPQYVOK-NSHDSACASA-N 2 0 236.363 1.955 20 0 BDADRP [NH3+]CCCCCCC[NH+]1CCC([NH3+])CC1 ZINC000843345161 588101922 /nfs/dbraw/zinc/10/19/22/588101922.db2.gz XAHDDVINFSWIEP-UHFFFAOYSA-N 3 0 213.369 1.319 20 0 BDADRP CN(CCCCCCC[NH3+])[C@@H]1CC[NH2+]C1 ZINC000843351084 588102377 /nfs/dbraw/zinc/10/23/77/588102377.db2.gz DQUJBKQYIRQZJX-GFCCVEGCSA-N 2 0 213.369 1.189 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCCCCCC[NH3+])C1 ZINC000843353066 588103305 /nfs/dbraw/zinc/10/33/05/588103305.db2.gz APVGWOHUMJFUOL-UONOGXRCSA-N 3 0 241.423 1.955 20 0 BDADRP CN(C(=O)CCC(C)(C)[NH3+])C1CCC([NH3+])CC1 ZINC000843354850 588103383 /nfs/dbraw/zinc/10/33/83/588103383.db2.gz QQWVXHDOKSDGLE-UHFFFAOYSA-N 2 0 241.379 1.232 20 0 BDADRP [NH3+]CCCCCCCN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000843361711 588104456 /nfs/dbraw/zinc/10/44/56/588104456.db2.gz OPIVFCAWLBNHOV-AWEZNQCLSA-N 2 0 239.407 1.722 20 0 BDADRP CC(C)[C@H]1CN(CCCCCCC[NH3+])CC[NH2+]1 ZINC000843376079 588105165 /nfs/dbraw/zinc/10/51/65/588105165.db2.gz UWXLJBJSWFQNKD-CQSZACIVSA-N 2 0 241.423 1.825 20 0 BDADRP [NH3+]CCCCCCNC(=O)c1cccc(C[NH3+])c1 ZINC000843511684 588117589 /nfs/dbraw/zinc/11/75/89/588117589.db2.gz HJPFPCZRVASJBW-UHFFFAOYSA-N 2 0 249.358 1.394 20 0 BDADRP CC(C)[C@@H]([NH3+])c1noc(C[C@@H](C)n2ccnc2)n1 ZINC000844906662 588218928 /nfs/dbraw/zinc/21/89/28/588218928.db2.gz RMNZFMXCPMFOIY-MWLCHTKSSA-N 2 0 249.318 1.726 20 0 BDADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC2(CCCC2)C1 ZINC000846218853 588259664 /nfs/dbraw/zinc/25/96/64/588259664.db2.gz YYJBZAZCJNAQTJ-GFCCVEGCSA-N 2 0 226.364 1.223 20 0 BDADRP C[C@H]1C[N@H+](CCCCCC[NH3+])[C@@H](C)CN1C ZINC000846220326 588261064 /nfs/dbraw/zinc/26/10/64/588261064.db2.gz FZDTWGMQXHDYHB-STQMWFEESA-N 2 0 227.396 1.530 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000846220344 588261085 /nfs/dbraw/zinc/26/10/85/588261085.db2.gz GOCVQCWPAMRASI-AWEZNQCLSA-N 3 0 239.407 1.581 20 0 BDADRP C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1CCCCCC[NH3+] ZINC000846220325 588261147 /nfs/dbraw/zinc/26/11/47/588261147.db2.gz FZDTWGMQXHDYHB-QWHCGFSZSA-N 2 0 227.396 1.530 20 0 BDADRP C[C@@H]1CCN[C@H](C)[C@H]1[NH2+]CCCCCC[NH3+] ZINC000846221167 588261168 /nfs/dbraw/zinc/26/11/68/588261168.db2.gz ULKUPBSCWIYYNL-UPJWGTAASA-N 2 0 227.396 1.482 20 0 BDADRP C[N@H+](CCC[NH3+])[C@H]1C[C@H]1c1ccccc1 ZINC000846222013 588261283 /nfs/dbraw/zinc/26/12/83/588261283.db2.gz KHCDUOHRJVKMOI-STQMWFEESA-N 2 0 204.317 1.823 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000846224573 588261523 /nfs/dbraw/zinc/26/15/23/588261523.db2.gz RDGRONZOTYAJQR-KBPBESRZSA-N 3 0 239.407 1.566 20 0 BDADRP [NH3+]CCCCCCC[NH2+]C1(CO)CCCC1 ZINC000846223991 588261574 /nfs/dbraw/zinc/26/15/74/588261574.db2.gz XDQQFUPNLDCGHV-UHFFFAOYSA-N 2 0 228.380 1.790 20 0 BDADRP CCCCOC(=O)CC[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000846708869 588283577 /nfs/dbraw/zinc/28/35/77/588283577.db2.gz WZPFNJWLLMWWBE-NWDGAFQWSA-N 2 0 242.363 1.531 20 0 BDADRP C[NH2+][C@@H](C)C(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000848393791 588376233 /nfs/dbraw/zinc/37/62/33/588376233.db2.gz BOVJHKCSIRKNLM-JTQLQIEISA-N 2 0 247.342 1.032 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(F)nc2)C1 ZINC000848562034 588397744 /nfs/dbraw/zinc/39/77/44/588397744.db2.gz FUZWNHZFDNIVLN-TXEJJXNPSA-N 2 0 237.322 1.651 20 0 BDADRP C[C@H](O)C[N@H+](CCCCCCC[NH3+])C1CC1 ZINC000848599797 588401545 /nfs/dbraw/zinc/40/15/45/588401545.db2.gz DHOGMLSAQQWHOK-LBPRGKRZSA-N 2 0 228.380 1.741 20 0 BDADRP CC(C)(CCN(CC[NH3+])CCO)C1CC1 ZINC000848600124 588401625 /nfs/dbraw/zinc/40/16/25/588401625.db2.gz XTXBNRMSSGHWRN-UHFFFAOYSA-N 2 0 214.353 1.066 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](CCO)C2CC2)C1 ZINC000848719922 588406245 /nfs/dbraw/zinc/40/62/45/588406245.db2.gz OUPDHIBETOWVNB-WOPDTQHZSA-N 2 0 212.337 1.007 20 0 BDADRP CC(C)[NH+](CCNC(=[NH2+])N1CCC1)C(C)C ZINC000848981022 588423534 /nfs/dbraw/zinc/42/35/34/588423534.db2.gz WQMCPFKWRYNJKY-UHFFFAOYSA-N 2 0 226.368 1.335 20 0 BDADRP CC[C@H](C)NC(=[NH2+])NC[C@H](CC)[NH+]1CCCC1 ZINC000848986461 588425564 /nfs/dbraw/zinc/42/55/64/588425564.db2.gz URXOTZNPAJVYFK-RYUDHWBXSA-N 2 0 240.395 1.773 20 0 BDADRP C[C@@H](CNC(=[NH2+])N(C)C1CC1)[NH+]1CCCC1 ZINC000848986606 588425887 /nfs/dbraw/zinc/42/58/87/588425887.db2.gz LFPHZIVXFQUJBX-JTQLQIEISA-N 2 0 224.352 1.089 20 0 BDADRP CCNC(=[NH2+])NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000848987278 588426265 /nfs/dbraw/zinc/42/62/65/588426265.db2.gz WXOMLJACCBEQHJ-WDEREUQCSA-N 2 0 226.368 1.383 20 0 BDADRP CC(C)[N@@H+]1CCC[C@H](CNC(=[NH2+])N2CCC2)C1 ZINC000848998935 588429877 /nfs/dbraw/zinc/42/98/77/588429877.db2.gz JXFJCZDDTCHXTR-GFCCVEGCSA-N 2 0 238.379 1.337 20 0 BDADRP CCNC(=[NH2+])NCCC[NH+](C(C)C)C(C)C ZINC000849010783 588435221 /nfs/dbraw/zinc/43/52/21/588435221.db2.gz HJBKCTUHWVAXQQ-UHFFFAOYSA-N 2 0 228.384 1.629 20 0 BDADRP C[N@H+]1CC=C(CNC(=[NH2+])N2CCCCC2)CC1 ZINC000849017065 588437417 /nfs/dbraw/zinc/43/74/17/588437417.db2.gz ZMCNMWWCFHYILW-UHFFFAOYSA-N 2 0 236.363 1.259 20 0 BDADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=[NH2+])NC1CC1 ZINC000849024034 588439678 /nfs/dbraw/zinc/43/96/78/588439678.db2.gz OTMAKDYWGNDHJF-LLVKDONJSA-N 2 0 238.379 1.383 20 0 BDADRP CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000849026021 588440493 /nfs/dbraw/zinc/44/04/93/588440493.db2.gz JPKCYQMNFXOJRK-LBPRGKRZSA-N 2 0 238.379 1.527 20 0 BDADRP CCCNC(=[NH2+])NCC[N@@H+]1CCCC1(C)C ZINC000849038962 588446589 /nfs/dbraw/zinc/44/65/89/588446589.db2.gz ATYHXVDHPWWJDE-UHFFFAOYSA-N 2 0 226.368 1.385 20 0 BDADRP c1nnn([C@H]2CCC[NH2+]C2)c1C[NH2+]C1CCCC1 ZINC000849133293 588452948 /nfs/dbraw/zinc/45/29/48/588452948.db2.gz NEAJKZZAMLZRCM-LBPRGKRZSA-N 2 0 249.362 1.235 20 0 BDADRP c1nnn([C@@H]2CCC[NH2+]C2)c1C[NH2+]C1CCCC1 ZINC000849133292 588453166 /nfs/dbraw/zinc/45/31/66/588453166.db2.gz NEAJKZZAMLZRCM-GFCCVEGCSA-N 2 0 249.362 1.235 20 0 BDADRP CO[C@H]1CC[C@@H]([N@H+](C)CCC[NH+]2CCCC2)C1 ZINC000852009086 588654622 /nfs/dbraw/zinc/65/46/22/588654622.db2.gz YCVPPNRWMYRLAV-KGLIPLIRSA-N 2 0 240.391 1.972 20 0 BDADRP CO[C@@H]1CC[C@H]([N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000852078133 588660143 /nfs/dbraw/zinc/66/01/43/588660143.db2.gz LQKQNECAQWRPLV-MJBXVCDLSA-N 2 0 238.375 1.582 20 0 BDADRP C[NH2+]CCC1CC[NH+](CCOC(F)F)CC1 ZINC000852746904 588698987 /nfs/dbraw/zinc/69/89/87/588698987.db2.gz UGSAFDKMSSSCAY-UHFFFAOYSA-N 2 0 236.306 1.547 20 0 BDADRP CC1(C)CC[NH2+][C@H]1C(=O)NCCCCCC[NH3+] ZINC000852894503 588712138 /nfs/dbraw/zinc/71/21/38/588712138.db2.gz LACZPVMQHDEXDA-NSHDSACASA-N 2 0 241.379 1.010 20 0 BDADRP C[C@@H]1CC([NH2+][C@@H]2CC[NH2+]C23CCC3)C[C@@H](C)O1 ZINC000863483055 589292745 /nfs/dbraw/zinc/29/27/45/589292745.db2.gz POYYYZCHYOKUQE-NQBHXWOUSA-N 2 0 238.375 1.817 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000863543118 589297163 /nfs/dbraw/zinc/29/71/63/589297163.db2.gz KUHKWFPQUOQMHP-ZDEQEGDKSA-N 2 0 208.349 1.905 20 0 BDADRP COC(=O)C1=CC[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000863541456 589297169 /nfs/dbraw/zinc/29/71/69/589297169.db2.gz IXTBZLVADVWPDR-WOPDTQHZSA-N 2 0 238.331 1.108 20 0 BDADRP COC(=O)C1=CC[C@@H]([NH2+][C@H](C)CCCC[NH3+])C1 ZINC000863541418 589297230 /nfs/dbraw/zinc/29/72/30/589297230.db2.gz IHVILBQLUOPBSO-ZYHUDNBSSA-N 2 0 240.347 1.355 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000863543857 589297293 /nfs/dbraw/zinc/29/72/93/589297293.db2.gz DSRRXIXMZWBSNO-VXGBXAGGSA-N 2 0 212.337 1.001 20 0 BDADRP [NH3+]CCCOCC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000863547011 589297955 /nfs/dbraw/zinc/29/79/55/589297955.db2.gz NQXRTDTWDBLEGQ-NEPJUHHUSA-N 2 0 212.337 1.130 20 0 BDADRP Cc1ccc2c(c1)CC[C@@H]2[NH2+]CCOCCC[NH3+] ZINC000863548039 589298448 /nfs/dbraw/zinc/29/84/48/589298448.db2.gz UHAWWHCWYBYECD-HNNXBMFYSA-N 2 0 248.370 1.937 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1NCc1cccc2c1CC[NH2+]C2 ZINC000863571128 589300813 /nfs/dbraw/zinc/30/08/13/589300813.db2.gz QWEAAOKCOQEPEM-XHDPSFHLSA-N 2 0 245.370 1.172 20 0 BDADRP C1=C(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)COCC1 ZINC000863641809 589306230 /nfs/dbraw/zinc/30/62/30/589306230.db2.gz KUCYPUMULTVABQ-AWEZNQCLSA-N 2 0 236.359 1.409 20 0 BDADRP C[C@H]1C[C@H]1NC(=[NH2+])NCCC[NH+]1CCCCC1 ZINC000864450276 589364410 /nfs/dbraw/zinc/36/44/10/589364410.db2.gz JFDBCJFPPKBVBR-NWDGAFQWSA-N 2 0 238.379 1.385 20 0 BDADRP CC[NH+](CC)[C@H](C)CNC(=[NH2+])NCCC1CC1 ZINC000864451468 589364611 /nfs/dbraw/zinc/36/46/11/589364611.db2.gz BWBYUHVXHUNCAD-LLVKDONJSA-N 2 0 240.395 1.631 20 0 BDADRP CC[C@@H]1CCN(C(=[NH2+])NCCC[NH+](C)C)C1 ZINC000864452906 589365751 /nfs/dbraw/zinc/36/57/51/589365751.db2.gz UJPWCSUCBGDAPO-LLVKDONJSA-N 2 0 226.368 1.194 20 0 BDADRP C[C@H](CNC(=[NH2+])NCCC1CC1)[NH+]1CCCC1 ZINC000864453325 589366164 /nfs/dbraw/zinc/36/61/64/589366164.db2.gz MMMVAWXWCVCZGW-LLVKDONJSA-N 2 0 238.379 1.385 20 0 BDADRP CCC[N@H+](CC)CCNC(=[NH2+])NCCC1CC1 ZINC000864456743 589367277 /nfs/dbraw/zinc/36/72/77/589367277.db2.gz LFPPCUZHWLISRM-UHFFFAOYSA-N 2 0 240.395 1.632 20 0 BDADRP CC[N@H+](CCNC(=[NH2+])N[C@@H]1C[C@H]1C)C(C)C ZINC000864456774 589367392 /nfs/dbraw/zinc/36/73/92/589367392.db2.gz MHIVGPIGVKZECD-GHMZBOCLSA-N 2 0 226.368 1.239 20 0 BDADRP C[C@@H](CNC(=[NH2+])NCCC1CC1)[N@H+](C)C1CC1 ZINC000864458016 589367681 /nfs/dbraw/zinc/36/76/81/589367681.db2.gz VTNQPWKRYYHZEJ-JTQLQIEISA-N 2 0 238.379 1.383 20 0 BDADRP CC[NH+]1CCC(CNC(=[NH2+])N[C@H]2C[C@@H]2C)CC1 ZINC000864457591 589367820 /nfs/dbraw/zinc/36/78/20/589367820.db2.gz SXFRRBLYVJEVFI-JQWIXIFHSA-N 2 0 238.379 1.241 20 0 BDADRP C[N@@H+]1CCC[C@H](CNC(=[NH2+])NCCC2CC2)C1 ZINC000864458985 589368565 /nfs/dbraw/zinc/36/85/65/589368565.db2.gz XQDSRMQPFCBMCS-GFCCVEGCSA-N 2 0 238.379 1.242 20 0 BDADRP C[C@@H]1C[C@H]1NC(=[NH2+])NCC1(C)CC[NH+](C)CC1 ZINC000864463070 589369488 /nfs/dbraw/zinc/36/94/88/589369488.db2.gz RDUMCGCMQMOIDG-GHMZBOCLSA-N 2 0 238.379 1.241 20 0 BDADRP C[C@@H]1C[C@H]1NC(=[NH2+])NCC[N@@H+]1CCCC1(C)C ZINC000864465671 589371081 /nfs/dbraw/zinc/37/10/81/589371081.db2.gz BLBTWITYUYJNLT-GHMZBOCLSA-N 2 0 238.379 1.383 20 0 BDADRP CCC(CC)NC(=[NH2+])NC[C@H](C)C[NH+](C)C ZINC000864466340 589371331 /nfs/dbraw/zinc/37/13/31/589371331.db2.gz HZZMUNNJWKYLGZ-JTQLQIEISA-N 2 0 228.384 1.487 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCN(CC(C)(C)O)C2)C1 ZINC000865658862 589455068 /nfs/dbraw/zinc/45/50/68/589455068.db2.gz BQEMGBDMRXSYOB-UPJWGTAASA-N 2 0 240.391 1.610 20 0 BDADRP CC[C@H](C[C@H](C)O)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000865875069 589466597 /nfs/dbraw/zinc/46/65/97/589466597.db2.gz AVVXTIRFFZPMJJ-YNEHKIRRSA-N 2 0 242.407 1.998 20 0 BDADRP Cc1cc(N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc[nH+]1 ZINC000866206664 589479940 /nfs/dbraw/zinc/47/99/40/589479940.db2.gz FHIMKCTUQNIHBA-JSGCOSHPSA-N 2 0 231.343 1.920 20 0 BDADRP CC[C@H](C[C@H](C)O)[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000866636254 589506742 /nfs/dbraw/zinc/50/67/42/589506742.db2.gz IVMXWQJJBHKEFU-FQUUOJAGSA-N 2 0 242.407 1.856 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000866658842 589508412 /nfs/dbraw/zinc/50/84/12/589508412.db2.gz BKMKCURKOVVUPA-TUAOUCFPSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CCN(Cc2coc(C3CC3)n2)C1 ZINC000866661541 589508869 /nfs/dbraw/zinc/50/88/69/589508869.db2.gz SNEXXDIKXRBKKL-KOLCDFICSA-N 2 0 235.331 1.721 20 0 BDADRP CC1(C)[C@@H]([NH3+])c2ccccc2N1CCC[NH3+] ZINC000866701251 589513089 /nfs/dbraw/zinc/51/30/89/589513089.db2.gz GXTAGMZSIFUPHA-LBPRGKRZSA-N 2 0 219.332 1.634 20 0 BDADRP [NH3+]CCC[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000866704174 589513250 /nfs/dbraw/zinc/51/32/50/589513250.db2.gz RJSDDRIZNCHHFZ-NXEZZACHSA-N 2 0 200.351 1.020 20 0 BDADRP CC1(C)C[C@H](O)C[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000866702610 589513538 /nfs/dbraw/zinc/51/35/38/589513538.db2.gz DAFFQPRMVUBZLR-OLZOCXBDSA-N 2 0 240.391 1.469 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000866703725 589513588 /nfs/dbraw/zinc/51/35/88/589513588.db2.gz LABWXYJXPTWWAE-STQMWFEESA-N 2 0 240.416 1.671 20 0 BDADRP CC1(C)C[C@H](O)C[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000866704325 589514037 /nfs/dbraw/zinc/51/40/37/589514037.db2.gz SSVYOGQFPQVMEW-NEPJUHHUSA-N 2 0 226.364 1.079 20 0 BDADRP COC[C@@H](C)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866706217 589514430 /nfs/dbraw/zinc/51/44/30/589514430.db2.gz NGRBMERKKSLHGX-YPMHNXCESA-N 2 0 228.380 1.718 20 0 BDADRP CC[NH+](CC)CCCN1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866725294 589516163 /nfs/dbraw/zinc/51/61/63/589516163.db2.gz RVNGSKXVIAKZMQ-KBPBESRZSA-N 2 0 239.407 1.545 20 0 BDADRP C[C@H]1CC([NH2+]CC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000123020874 589652636 /nfs/dbraw/zinc/65/26/36/589652636.db2.gz ZKQOPBTYHJBTLS-RYUDHWBXSA-N 2 0 240.391 1.874 20 0 BDADRP [NH3+]Cc1cccc(NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)c1 ZINC000870932532 589698138 /nfs/dbraw/zinc/69/81/38/589698138.db2.gz HKKPEZPBNFQJKD-SUNKGSAMSA-N 2 0 245.326 1.211 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870937414 589698726 /nfs/dbraw/zinc/69/87/26/589698726.db2.gz ITUZKFZHJJHPQJ-PHIMTYICSA-N 2 0 241.379 1.138 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000872141800 589882658 /nfs/dbraw/zinc/88/26/58/589882658.db2.gz TYXHQJXPBWBLBX-VXGBXAGGSA-N 2 0 224.348 1.226 20 0 BDADRP Cc1conc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000872142641 589883323 /nfs/dbraw/zinc/88/33/23/589883323.db2.gz BUGBEBPEJZIGMG-STQMWFEESA-N 2 0 249.358 1.805 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000872144663 589883822 /nfs/dbraw/zinc/88/38/22/589883822.db2.gz IHPLYBZIBPWUHA-JHJVBQTASA-N 2 0 238.375 1.805 20 0 BDADRP CC1(C)CO[C@@H](C[NH2+][C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000872144478 589883956 /nfs/dbraw/zinc/88/39/56/589883956.db2.gz GDZQRYFBYXTKCO-IJLUTSLNSA-N 2 0 226.364 1.661 20 0 BDADRP COCC1([N@H+](C)CC2CC[NH2+]CC2)CCC1 ZINC000872157074 589885755 /nfs/dbraw/zinc/88/57/55/589885755.db2.gz IDXJBUGWLGOGMK-UHFFFAOYSA-N 2 0 226.364 1.487 20 0 BDADRP C[N@H+](CCCCCC[NH3+])C[C@H]1CCC[NH2+]C1 ZINC000872154938 589886456 /nfs/dbraw/zinc/88/64/56/589886456.db2.gz FXVRGHRNXGMSMU-ZDUSSCGKSA-N 3 0 227.396 1.437 20 0 BDADRP CC(C)[NH+]1CCC(CC[NH2+]C[C@H](C)O)CC1 ZINC000872222947 589896853 /nfs/dbraw/zinc/89/68/53/589896853.db2.gz JPKYMSAHXHGNCB-LBPRGKRZSA-N 2 0 228.380 1.467 20 0 BDADRP CCC1(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)COC1 ZINC000872251749 589900322 /nfs/dbraw/zinc/90/03/22/589900322.db2.gz MFOGWJUTJLKVQT-LBPRGKRZSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@H](O)C[N@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873208465 589993922 /nfs/dbraw/zinc/99/39/22/589993922.db2.gz ODVRXDBRQDNZLS-VIFPVBQESA-N 2 0 240.372 1.206 20 0 BDADRP CC(C)[C@H](C[NH3+])C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000873209749 589994618 /nfs/dbraw/zinc/99/46/18/589994618.db2.gz PVYMHAPSUGYIPZ-ZIAGYGMSSA-N 3 0 239.407 1.293 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000873218970 589999015 /nfs/dbraw/zinc/99/90/15/589999015.db2.gz BHRRUNHBZLMNET-MELADBBJSA-N 2 0 239.407 1.386 20 0 BDADRP CC(C)([NH3+])CN1CC[C@@H]2CSC[C@@H]2C1 ZINC000873221705 589999471 /nfs/dbraw/zinc/99/94/71/589999471.db2.gz NYDPGRZZRPDFFW-ZJUUUORDSA-N 2 0 214.378 1.409 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CC[NH2+][C@H](C)C1)c1ccnn1C ZINC000873224185 590001135 /nfs/dbraw/zinc/00/11/35/590001135.db2.gz ZDOYOLSQQDEDEG-UTUOFQBUSA-N 2 0 236.363 1.459 20 0 BDADRP COCCC1([NH2+]C[C@H]2C[C@H]2C)CC[NH2+]CC1 ZINC000873224475 590001172 /nfs/dbraw/zinc/00/11/72/590001172.db2.gz CMABJLYWNGBFHI-VXGBXAGGSA-N 2 0 226.364 1.391 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CCSC1)[C@H]1CCC[NH2+]1 ZINC000873235540 590003744 /nfs/dbraw/zinc/00/37/44/590003744.db2.gz OEPWEZRZIDGXDS-GRYCIOLGSA-N 2 0 228.405 1.860 20 0 BDADRP C[C@@H](NC[C@@H]1CCC(C)(C)C[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000873236887 590004094 /nfs/dbraw/zinc/00/40/94/590004094.db2.gz KFWCFXBSGOJUTG-AGIUHOORSA-N 2 0 239.407 1.495 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CCCS1 ZINC000873243817 590006526 /nfs/dbraw/zinc/00/65/26/590006526.db2.gz NHSGCJDXTHDLHW-MXWKQRLJSA-N 2 0 214.378 1.742 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000873246357 590006554 /nfs/dbraw/zinc/00/65/54/590006554.db2.gz YHCBCPKTRRLLQB-VXGBXAGGSA-N 3 0 227.396 1.482 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccnc(F)c1 ZINC000873242705 590006822 /nfs/dbraw/zinc/00/68/22/590006822.db2.gz RHAOSMCDZNNYRY-QWRGUYRKSA-N 2 0 223.295 1.438 20 0 BDADRP CC(C)O[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C1(C)C ZINC000873249504 590007566 /nfs/dbraw/zinc/00/75/66/590007566.db2.gz APLMUJZWUFOGIX-XQHKEYJVSA-N 2 0 240.391 1.905 20 0 BDADRP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873251659 590008440 /nfs/dbraw/zinc/00/84/40/590008440.db2.gz MRCBYFZQDWPUPB-QNWHQSFQSA-N 2 0 240.391 1.907 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)C1C[NH2+]C1 ZINC000873251130 590008448 /nfs/dbraw/zinc/00/84/48/590008448.db2.gz JIBCQHTYSVTALF-JKOKRWQUSA-N 2 0 238.375 1.247 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000873252856 590009030 /nfs/dbraw/zinc/00/90/30/590009030.db2.gz WOPQPZVQIGZETH-XQHKEYJVSA-N 2 0 226.364 1.517 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000873254222 590009352 /nfs/dbraw/zinc/00/93/52/590009352.db2.gz NUTDJRLHINSUDI-WUHRBBMRSA-N 3 0 225.380 1.044 20 0 BDADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000873255600 590011227 /nfs/dbraw/zinc/01/12/27/590011227.db2.gz ICBXMNGXYULHMX-QSLWVIQJSA-N 3 0 237.391 1.234 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)C1CCOCC1 ZINC000873257236 590011762 /nfs/dbraw/zinc/01/17/62/590011762.db2.gz RKFWAGYCORYPGJ-CKYFFXLPSA-N 2 0 212.337 1.128 20 0 BDADRP Cc1nccnc1[C@@H](C)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873258673 590012840 /nfs/dbraw/zinc/01/28/40/590012840.db2.gz UTVQYQASFSVLTF-GMTAPVOTSA-N 2 0 220.320 1.173 20 0 BDADRP Cc1nccnc1[C@H](C)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873258672 590013074 /nfs/dbraw/zinc/01/30/74/590013074.db2.gz UTVQYQASFSVLTF-DCAQKATOSA-N 2 0 220.320 1.173 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)C1CC[NH+](C)CC1 ZINC000873258719 590013124 /nfs/dbraw/zinc/01/31/24/590013124.db2.gz SWFLXIJJPPVDLT-NQBHXWOUSA-N 3 0 225.380 1.044 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCCc2n[nH]cc21)C1CC[NH2+]CC1 ZINC000873269122 590015282 /nfs/dbraw/zinc/01/52/82/590015282.db2.gz MHBDDXCAKABJDP-MFKMUULPSA-N 2 0 248.374 1.765 20 0 BDADRP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1ccnn1C ZINC000873269162 590015469 /nfs/dbraw/zinc/01/54/69/590015469.db2.gz MXRPDOOFOJUFJN-GHMZBOCLSA-N 2 0 236.363 1.459 20 0 BDADRP CN1Cc2ccccc2[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000873266787 590015537 /nfs/dbraw/zinc/01/55/37/590015537.db2.gz QNOZSFUPUXFVAX-KFWWJZLASA-N 2 0 245.370 1.643 20 0 BDADRP CC[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)[C@H]1CCOC1 ZINC000873272377 590016035 /nfs/dbraw/zinc/01/60/35/590016035.db2.gz TWAFJNZPEYVLHE-FPMFFAJLSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])C1CC[NH2+]CC1 ZINC000873271428 590016038 /nfs/dbraw/zinc/01/60/38/590016038.db2.gz IBKPKSOZOPUROZ-YUTCNCBUSA-N 3 0 239.407 1.482 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1cnccc1N ZINC000873270734 590016132 /nfs/dbraw/zinc/01/61/32/590016132.db2.gz BDMPVJPBQGBFRP-WDEREUQCSA-N 2 0 248.374 1.533 20 0 BDADRP C[C@@H](Cc1cnccn1)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873271124 590016337 /nfs/dbraw/zinc/01/63/37/590016337.db2.gz DWLIBDSPRCWXPC-RYUDHWBXSA-N 2 0 248.374 1.385 20 0 BDADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC[NH2+]CC1 ZINC000873271484 590016418 /nfs/dbraw/zinc/01/64/18/590016418.db2.gz IOGHJOCDZWKVGR-RAQOOLMWSA-N 3 0 237.391 1.247 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCC[C@@H]1CCOC1=O ZINC000873282261 590018933 /nfs/dbraw/zinc/01/89/33/590018933.db2.gz GPRYQPFWHLBSIS-WOPDTQHZSA-N 2 0 240.347 1.047 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc2oc(=O)[nH]c2c1 ZINC000873285088 590020073 /nfs/dbraw/zinc/02/00/73/590020073.db2.gz XXTKQWDHJQJTJU-IUCAKERBSA-N 2 0 249.314 1.749 20 0 BDADRP Nc1cc(F)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000873290089 590023712 /nfs/dbraw/zinc/02/37/12/590023712.db2.gz NYIZBVCMUFVQON-PBWFPOADSA-N 2 0 249.333 1.781 20 0 BDADRP Cc1cnccc1NC(=O)C=C[C@H]1CCC[NH2+]C1 ZINC000876753769 590238215 /nfs/dbraw/zinc/23/82/15/590238215.db2.gz OCAPLBRRSBYQDS-ZYOFXKKJSA-N 2 0 245.326 1.306 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCCCCO)[C@H](C)C1 ZINC000126225798 590254710 /nfs/dbraw/zinc/25/47/10/590254710.db2.gz QCAFRSAZADTSRW-ZIAGYGMSSA-N 2 0 242.407 1.859 20 0 BDADRP CC(C)CC[C@@H]([NH3+])C(=O)NCCCCCC[NH3+] ZINC000876938142 590258850 /nfs/dbraw/zinc/25/88/50/590258850.db2.gz RMTMIKOJMKYMMI-GFCCVEGCSA-N 2 0 243.395 1.385 20 0 BDADRP C[C@@H](C(=O)N(C)C[C@H](C)[NH3+])[C@H]([NH3+])c1ccccc1 ZINC000877095718 590281785 /nfs/dbraw/zinc/28/17/85/590281785.db2.gz PKCBOPOKLKISIC-LOWVWBTDSA-N 2 0 249.358 1.128 20 0 BDADRP C[C@@H]([NH3+])CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000877103537 590284060 /nfs/dbraw/zinc/28/40/60/590284060.db2.gz WYBSHRHMRBYFFH-VXGBXAGGSA-N 2 0 241.379 1.057 20 0 BDADRP C[C@H]([NH3+])CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000877104033 590284237 /nfs/dbraw/zinc/28/42/37/590284237.db2.gz ZYXJBMLHHZASJH-NSHDSACASA-N 2 0 249.358 1.167 20 0 BDADRP CC1(C)CC[C@H](CNC(=O)CCCC[NH3+])[NH2+]C1 ZINC000877153029 590292513 /nfs/dbraw/zinc/29/25/13/590292513.db2.gz SFNUUDGUTQUOQE-LLVKDONJSA-N 2 0 241.379 1.010 20 0 BDADRP CC[C@H](C(=O)N(C)CCCCCC[NH3+])[NH+](C)C ZINC000877436985 590328063 /nfs/dbraw/zinc/32/80/63/590328063.db2.gz QXIZXPOXAKPYJH-GFCCVEGCSA-N 2 0 243.395 1.304 20 0 BDADRP CC[C@](C)(C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1)OC ZINC000877743483 590411371 /nfs/dbraw/zinc/41/13/71/590411371.db2.gz WGQPEGDZYBIFOT-MGPQQGTHSA-N 2 0 240.391 1.828 20 0 BDADRP FC1(F)CCC[C@H]1CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000877982351 590464667 /nfs/dbraw/zinc/46/46/67/590464667.db2.gz QCFQVYFBUPTQLS-TUAOUCFPSA-N 2 0 244.329 1.963 20 0 BDADRP CC(C)[C@@H](O)CC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000878105158 590494410 /nfs/dbraw/zinc/49/44/10/590494410.db2.gz XFEWNDVNBZFSOG-OLZOCXBDSA-N 2 0 228.380 1.277 20 0 BDADRP CC(C)[C@H](O)CC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000878105159 590495178 /nfs/dbraw/zinc/49/51/78/590495178.db2.gz XFEWNDVNBZFSOG-QWHCGFSZSA-N 2 0 228.380 1.277 20 0 BDADRP COC[C@@H](C)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879248067 590720511 /nfs/dbraw/zinc/72/05/11/590720511.db2.gz LXXCXGNZVJOHDN-CYBMUJFWSA-N 2 0 240.391 1.829 20 0 BDADRP CO[C@@H]1CC[C@@H](C)[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000879320215 590739864 /nfs/dbraw/zinc/73/98/64/590739864.db2.gz DPWBIFKQQQMUKW-HZSPNIEDSA-N 2 0 240.391 1.970 20 0 BDADRP CC[C@H](C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1)OC ZINC000879581296 590803068 /nfs/dbraw/zinc/80/30/68/590803068.db2.gz XULYMWANUNYLQU-XQQFMLRXSA-N 2 0 226.364 1.437 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+]([C@@H]3CCCC[C@H]3O)CC[C@H]21 ZINC000879570786 590811066 /nfs/dbraw/zinc/81/10/66/590811066.db2.gz FTVMTJHFUJUMPN-AAVRWANBSA-N 2 0 238.375 1.316 20 0 BDADRP CC1([NH+]2CCC2)CC[NH+](CC2CC2)CC1 ZINC000880472967 591053944 /nfs/dbraw/zinc/05/39/44/591053944.db2.gz KCLOQTNYZAJGSE-UHFFFAOYSA-N 2 0 208.349 1.957 20 0 BDADRP Cc1cnccc1C[NH2+]C1CCC([NH3+])CC1 ZINC000129737106 591392541 /nfs/dbraw/zinc/39/25/41/591392541.db2.gz JCHZEDZUVDFQGH-UHFFFAOYSA-N 2 0 219.332 1.750 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CC1(O)CCC1 ZINC000131112564 591554342 /nfs/dbraw/zinc/55/43/42/591554342.db2.gz ROSPFJYZWWZHMW-MNOVXSKESA-N 2 0 212.337 1.009 20 0 BDADRP C[N@H+](CCCF)CC1CC[NH+](C)CC1 ZINC000131198491 591567871 /nfs/dbraw/zinc/56/78/71/591567871.db2.gz FRRGEDBVHNBOID-UHFFFAOYSA-N 2 0 202.317 1.620 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H]2C[C@H](OC)C2)[C@H](C)C1 ZINC000883269665 591602797 /nfs/dbraw/zinc/60/27/97/591602797.db2.gz RSMXPCCUVOPGBK-AAVRWANBSA-N 2 0 240.391 1.731 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1ccc2c(c1)COC2 ZINC000883442679 591669957 /nfs/dbraw/zinc/66/99/57/591669957.db2.gz QFFNVEJYPXTOQT-ZIAGYGMSSA-N 2 0 246.354 1.932 20 0 BDADRP c1ncc2c(n1)CC[N@@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000883461691 591673631 /nfs/dbraw/zinc/67/36/31/591673631.db2.gz BATKZGTUDAQNHY-GFCCVEGCSA-N 2 0 246.358 1.224 20 0 BDADRP C[NH+]1CCC(N[C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000131968284 591680380 /nfs/dbraw/zinc/68/03/80/591680380.db2.gz UDGBERGNGPWEHC-HUUCEWRRSA-N 2 0 245.370 1.815 20 0 BDADRP CC[NH2+]CCCNC(=O)C(C)(C)[C@H]([NH3+])C(C)C ZINC000884014880 591799436 /nfs/dbraw/zinc/79/94/36/591799436.db2.gz ZUNPACWZXNHWSP-LLVKDONJSA-N 2 0 243.395 1.112 20 0 BDADRP C[NH2+][C@@H](CC(C)C)C(=O)NC(C)(C)CCC[NH3+] ZINC000884293604 591895925 /nfs/dbraw/zinc/89/59/25/591895925.db2.gz HBYRHMYMHDFJKA-NSHDSACASA-N 2 0 243.395 1.254 20 0 BDADRP CC[C@@H](O)C[NH+]1CCC(CC)([NH+]2CCC2)CC1 ZINC000886710987 592308561 /nfs/dbraw/zinc/30/85/61/592308561.db2.gz KVZFARAOJNBHGZ-CYBMUJFWSA-N 2 0 240.391 1.708 20 0 BDADRP C[NH2+]C1CC[NH+](C[C@H]2C[C@@]23CCOC3)CC1 ZINC000886827626 592349885 /nfs/dbraw/zinc/34/98/85/592349885.db2.gz OKUSOSPLSYJPKG-DGCLKSJQSA-N 2 0 224.348 1.097 20 0 BDADRP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@H]1CC[C@@H](C2CC2)O1 ZINC000886829762 592351143 /nfs/dbraw/zinc/35/11/43/592351143.db2.gz GTPCWQMKYFMVQP-RDBSUJKOSA-N 2 0 240.391 1.907 20 0 BDADRP C[N@H+](C[C@@H]1C[C@@]12CCOC2)C1CC[NH2+]CC1 ZINC000886827152 592351512 /nfs/dbraw/zinc/35/15/12/592351512.db2.gz FTWAHXRFYXPYRR-WCQYABFASA-N 2 0 224.348 1.097 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2C[C@@]23CCOC3)CC[C@H]1[NH3+] ZINC000886829438 592351904 /nfs/dbraw/zinc/35/19/04/592351904.db2.gz AFSBHTZEDXHHDU-YVECIDJPSA-N 2 0 224.348 1.082 20 0 BDADRP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 ZINC000886829761 592352149 /nfs/dbraw/zinc/35/21/49/592352149.db2.gz GTPCWQMKYFMVQP-MJBXVCDLSA-N 2 0 240.391 1.907 20 0 BDADRP CC1([NH3+])CC[NH+](C[C@@H]2C[C@@]23CCOC3)CC1 ZINC000886834811 592357329 /nfs/dbraw/zinc/35/73/29/592357329.db2.gz CZUHZJVBUHJGJU-WCQYABFASA-N 2 0 224.348 1.226 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](C[C@@H]2C[C@]23CCOC3)C1 ZINC000886838382 592358371 /nfs/dbraw/zinc/35/83/71/592358371.db2.gz WOHIEHLOPGQCNB-IHRRRGAJSA-N 2 0 238.375 1.474 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@@H]1C[C@]12CCOC2 ZINC000886839843 592361541 /nfs/dbraw/zinc/36/15/41/592361541.db2.gz NGVKUTUNNVNHHS-OBJOEFQTSA-N 2 0 238.375 1.391 20 0 BDADRP C(C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1)[C@H]1CC[NH2+]C1 ZINC000886859950 592372419 /nfs/dbraw/zinc/37/24/19/592372419.db2.gz LNPSLCCICXHDMP-RDBSUJKOSA-N 2 0 238.375 1.487 20 0 BDADRP C([C@H]1CC[NH2+]C1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886865845 592373346 /nfs/dbraw/zinc/37/33/46/592373346.db2.gz WJDTUESFLMHZHP-KBPBESRZSA-N 2 0 237.391 1.062 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccccc2)CC[N@@H+]1C ZINC000221734792 592445270 /nfs/dbraw/zinc/44/52/70/592445270.db2.gz MMILFXRAWYPNRF-VHDGCEQUSA-N 2 0 248.370 1.792 20 0 BDADRP CC(=O)CC[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887131493 592449352 /nfs/dbraw/zinc/44/93/52/592449352.db2.gz ZBNKHOILCIUXTR-GFCCVEGCSA-N 2 0 247.342 1.571 20 0 BDADRP CCN1CC[C@@H]1CNC(=[NH2+])N1CCC(C)CC1 ZINC000887323959 592480546 /nfs/dbraw/zinc/48/05/46/592480546.db2.gz NJOCGROFGFWGTF-GFCCVEGCSA-N 2 0 238.379 1.337 20 0 BDADRP [NH2+]=C(NCC[NH+]1CCCCCC1)NCC(F)F ZINC000887348469 592484731 /nfs/dbraw/zinc/48/47/31/592484731.db2.gz JWLPOZHPWKLMLX-UHFFFAOYSA-N 2 0 248.321 1.241 20 0 BDADRP CC1CC[NH+](CCNC(=[NH2+])NCC2CC2)CC1 ZINC000887348834 592485351 /nfs/dbraw/zinc/48/53/51/592485351.db2.gz YYWUDDPYIRQGCH-UHFFFAOYSA-N 2 0 238.379 1.242 20 0 BDADRP CC[N@H+](CCNC(=[NH2+])NCC1CC1)C(C)C ZINC000887353049 592485828 /nfs/dbraw/zinc/48/58/28/592485828.db2.gz ZQUJNTICEOEBEH-UHFFFAOYSA-N 2 0 226.368 1.241 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](CNC(=[NH2+])NCC(F)F)C1 ZINC000887351402 592485904 /nfs/dbraw/zinc/48/59/04/592485904.db2.gz OESXMJDZDGRWBZ-VIFPVBQESA-N 2 0 248.321 1.096 20 0 BDADRP C[C@H](CNC(=[NH2+])NCC(F)F)C[NH+]1CCCC1 ZINC000887351598 592486326 /nfs/dbraw/zinc/48/63/26/592486326.db2.gz VFQGTDIITSLCLR-SECBINFHSA-N 2 0 248.321 1.097 20 0 BDADRP CC[N@H+](CCNC(=[NH2+])NCC(F)F)C(C)C ZINC000887352535 592486547 /nfs/dbraw/zinc/48/65/47/592486547.db2.gz DJVGFKRUMAIPIP-UHFFFAOYSA-N 2 0 236.310 1.096 20 0 BDADRP C[N@H+](CCNC(=[NH2+])NCC(F)F)C1CCCC1 ZINC000887354072 592487018 /nfs/dbraw/zinc/48/70/18/592487018.db2.gz OMQPNKIUDIBPDR-UHFFFAOYSA-N 2 0 248.321 1.240 20 0 BDADRP C[NH+]1CCC(C)(CNC(=[NH2+])NCC(F)F)CC1 ZINC000887356407 592488682 /nfs/dbraw/zinc/48/86/82/592488682.db2.gz BPTOHKYWMMLXGV-UHFFFAOYSA-N 2 0 248.321 1.097 20 0 BDADRP Cn1nccc1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300064746 592502124 /nfs/dbraw/zinc/50/21/24/592502124.db2.gz MMPSGKNJRDOAKP-OCCSQVGLSA-N 2 0 248.374 1.179 20 0 BDADRP C[C@@H]([NH3+])C[N@H+](C)CCCCC1CCOCC1 ZINC000300783335 592519635 /nfs/dbraw/zinc/51/96/35/592519635.db2.gz RXJPBBOZKFFAKS-GFCCVEGCSA-N 2 0 228.380 1.862 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000925704587 634383379 /nfs/dbraw/zinc/38/33/79/634383379.db2.gz YWSHSSGPMDZSHU-XQQFMLRXSA-N 3 0 237.391 1.201 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC001326035214 989330864 /nfs/dbraw/zinc/33/08/64/989330864.db2.gz FTUKQIUKRFORRR-IJLUTSLNSA-N 2 0 214.353 1.532 20 0 BDADRP CCCCN1C[C@@H](C)O[C@@]2(CC[NH2+]C2)C1 ZINC001577458046 993668249 /nfs/dbraw/zinc/66/82/49/993668249.db2.gz QBYIERUOFIJBIQ-VXGBXAGGSA-N 2 0 212.337 1.239 20 0 BDADRP CO[C@H]1C[N@H+](CCCCCC[NH3+])CC[C@H]1C ZINC000299911502 634398007 /nfs/dbraw/zinc/39/80/07/634398007.db2.gz MWWSVRWSTXDBEC-OLZOCXBDSA-N 2 0 228.380 1.862 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CC[C@@H]1CCSC1 ZINC000925724980 634505758 /nfs/dbraw/zinc/50/57/58/634505758.db2.gz OVTITXZQBORZFI-GHMZBOCLSA-N 2 0 228.405 1.860 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000925726625 634522620 /nfs/dbraw/zinc/52/26/20/634522620.db2.gz VANBZDIUFKPUDN-XQQFMLRXSA-N 2 0 239.407 1.495 20 0 BDADRP CC1(C)C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]([NH3+])C1 ZINC000925727447 634525479 /nfs/dbraw/zinc/52/54/79/634525479.db2.gz PSXAHKMXWLBDQJ-KXNHARMFSA-N 3 0 225.380 1.219 20 0 BDADRP Cc1cc(N)nc(N2CCC[C@H]([NH+](C)C)CC2)[nH+]1 ZINC000893491215 634530152 /nfs/dbraw/zinc/53/01/52/634530152.db2.gz GPMSVOJWEKWYKT-NSHDSACASA-N 2 0 249.362 1.288 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000310112117 634540327 /nfs/dbraw/zinc/54/03/27/634540327.db2.gz ATLNQEFCEUBUQM-IACUBPJLSA-N 2 0 238.375 1.628 20 0 BDADRP CC1(C)C[C@@H]([NH2+]CC2CC([NH3+])C2)C[C@@H]([NH3+])C1 ZINC000925730665 634558538 /nfs/dbraw/zinc/55/85/38/634558538.db2.gz PSXAHKMXWLBDQJ-HCWSGVFWSA-N 3 0 225.380 1.219 20 0 BDADRP COC(=O)C(C)(C)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000258805855 635205222 /nfs/dbraw/zinc/20/52/22/635205222.db2.gz NUSRQUPLCOTHPH-UHFFFAOYSA-N 2 0 242.363 1.212 20 0 BDADRP FC1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000258153355 634578872 /nfs/dbraw/zinc/57/88/72/634578872.db2.gz SDSOAENSQJQTED-JTQLQIEISA-N 2 0 200.301 1.420 20 0 BDADRP C[C@@H]([NH3+])[C@@H](NCCC(C)(C)[NH3+])c1ccccc1 ZINC000925736681 634591197 /nfs/dbraw/zinc/59/11/97/634591197.db2.gz JBWXLSOEPVYXAS-DGCLKSJQSA-N 2 0 235.375 1.792 20 0 BDADRP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000925773199 635223206 /nfs/dbraw/zinc/22/32/06/635223206.db2.gz MMCSCHGZXNIFLO-OJEZURLMSA-N 2 0 208.349 1.748 20 0 BDADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NCCC(C)(C)[NH3+] ZINC000925741764 634602868 /nfs/dbraw/zinc/60/28/68/634602868.db2.gz MSNSRLGDPNVNMD-CMPLNLGQSA-N 2 0 225.380 1.186 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NCCC(C)(C)[NH3+] ZINC000925741766 634604644 /nfs/dbraw/zinc/60/46/44/634604644.db2.gz MSNSRLGDPNVNMD-PWSUYJOCSA-N 2 0 225.380 1.186 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CC[C@H]1CCCO1 ZINC000925775992 635253417 /nfs/dbraw/zinc/25/34/17/635253417.db2.gz SYYNXTXRBSDZMX-AGIUHOORSA-N 2 0 226.364 1.805 20 0 BDADRP COC[C@H](C)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000163548205 635457356 /nfs/dbraw/zinc/45/73/56/635457356.db2.gz OXILSYZLRFRXON-VOMCLLRMSA-N 2 0 214.353 1.471 20 0 BDADRP Cc1cc(CC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)nn1C ZINC000925834318 635480785 /nfs/dbraw/zinc/48/07/85/635480785.db2.gz NAENLXGYLPCCTO-STQMWFEESA-N 2 0 248.374 1.131 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H](O)c1ccccc1 ZINC000310280925 635485809 /nfs/dbraw/zinc/48/58/09/635485809.db2.gz PMSBXGIPROLPKO-GXTWGEPZSA-N 2 0 236.359 1.827 20 0 BDADRP CC(C)COCC[N@H+](C)C1CCC([NH3+])CC1 ZINC000232634794 635514274 /nfs/dbraw/zinc/51/42/74/635514274.db2.gz RYBWIBMGODQYJC-UHFFFAOYSA-N 2 0 228.380 1.861 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@H](C)CCCC[NH3+] ZINC000925853789 635543177 /nfs/dbraw/zinc/54/31/77/635543177.db2.gz BPNNOVQBCQFYSJ-NEPJUHHUSA-N 2 0 216.369 1.645 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCS[C@H](C)C1 ZINC000925857781 635549359 /nfs/dbraw/zinc/54/93/59/635549359.db2.gz INZKTYFHNQECRX-UKKRHICBSA-N 2 0 216.394 1.986 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000925858791 635550782 /nfs/dbraw/zinc/55/07/82/635550782.db2.gz OVRMGWXOAQAVKH-WOPDTQHZSA-N 2 0 214.353 1.255 20 0 BDADRP CC1(C)C[N@H+](CCCCCC[NH3+])CCO1 ZINC000036232725 635556409 /nfs/dbraw/zinc/55/64/09/635556409.db2.gz UYCUEUDWEPBUJK-UHFFFAOYSA-N 2 0 214.353 1.616 20 0 BDADRP CO[C@@H]1[C@@H](C)[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C1(C)C ZINC000925882493 635610178 /nfs/dbraw/zinc/61/01/78/635610178.db2.gz NHQDHSOJQMVYPJ-FPYNETTCSA-N 2 0 240.391 1.763 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925880882 635610552 /nfs/dbraw/zinc/61/05/52/635610552.db2.gz WEZHTPVBRGNCBX-QNWHQSFQSA-N 3 0 225.380 1.092 20 0 BDADRP Cc1nn(C)c(C)c1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000076683438 631299873 /nfs/dbraw/zinc/29/98/73/631299873.db2.gz KWEXUGZZCUEODM-LBPRGKRZSA-N 2 0 236.363 1.208 20 0 BDADRP CC[C@@H]1CCN(C[C@H]([NH3+])CC(F)F)C1 ZINC000308469166 631356158 /nfs/dbraw/zinc/35/61/58/631356158.db2.gz IDBQEFIUGMKPSS-RKDXNWHRSA-N 2 0 206.280 1.701 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000083008672 631417783 /nfs/dbraw/zinc/41/77/83/631417783.db2.gz ILFWQEOMWNJZMT-AWEZNQCLSA-N 2 0 218.344 1.900 20 0 BDADRP CCCC[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000308726496 631555788 /nfs/dbraw/zinc/55/57/88/631555788.db2.gz LTRJLBFAPWELSB-GFCCVEGCSA-N 2 0 214.353 1.175 20 0 BDADRP CO[C@@H]1CC[C@@H]1[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000934124117 631705218 /nfs/dbraw/zinc/70/52/18/631705218.db2.gz NFULXJBNGKAMMS-MELADBBJSA-N 2 0 240.391 1.970 20 0 BDADRP CC[C@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000309056632 631832676 /nfs/dbraw/zinc/83/26/76/631832676.db2.gz RTBGNVBDZOTMCT-QWHCGFSZSA-N 2 0 226.364 1.175 20 0 BDADRP [NH3+]CC(C[NH3+])NCc1cc(Cl)ccc1Cl ZINC000309326846 632006308 /nfs/dbraw/zinc/00/63/08/632006308.db2.gz IGUMAAZMXXLGMV-UHFFFAOYSA-N 2 0 248.157 1.369 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H](C)OC(C)(C)C2)CC[NH2+]1 ZINC000235369468 632027745 /nfs/dbraw/zinc/02/77/45/632027745.db2.gz QZMPJHMGKKFISC-JHJVBQTASA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+]C[C@@H]2CCCO2)CC[NH2+]1 ZINC000235379918 632029149 /nfs/dbraw/zinc/02/91/49/632029149.db2.gz USODSFRUTGQRPT-UTUOFQBUSA-N 2 0 212.337 1.143 20 0 BDADRP CC(C)CNC(=[NH2+])NC[C@H]1CCC[N@H+](C)C1 ZINC000052043920 632051659 /nfs/dbraw/zinc/05/16/59/632051659.db2.gz WVMYUVUGIFFIDD-LLVKDONJSA-N 2 0 226.368 1.098 20 0 BDADRP CCCNC(=[NH2+])NCC[NH+](C(C)C)C(C)C ZINC000052040831 632051694 /nfs/dbraw/zinc/05/16/94/632051694.db2.gz VDJIQDQCQBFUAB-UHFFFAOYSA-N 2 0 228.384 1.629 20 0 BDADRP C[C@H](CNC(=[NH2+])NC1CC1)C[NH+]1CCCCC1 ZINC000052042985 632052930 /nfs/dbraw/zinc/05/29/30/632052930.db2.gz CYXBQCXBALDCPO-LLVKDONJSA-N 2 0 238.379 1.385 20 0 BDADRP CC(C)NC(=[NH2+])NC[C@H](C)[NH+]1CCCCC1 ZINC000052042791 632054485 /nfs/dbraw/zinc/05/44/85/632054485.db2.gz FUAOAJZBMRLNFM-NSHDSACASA-N 2 0 226.368 1.383 20 0 BDADRP CC[NH+](CC)CCNC(=[NH2+])NC1CCCC1 ZINC000052046697 632055443 /nfs/dbraw/zinc/05/54/43/632055443.db2.gz AHKRWKQZXWCARE-UHFFFAOYSA-N 2 0 226.368 1.385 20 0 BDADRP CC[NH+](CC)CCNC(=[NH2+])NC1CCCCC1 ZINC000052046699 632055872 /nfs/dbraw/zinc/05/58/72/632055872.db2.gz QBWDLKYIMSLSRD-UHFFFAOYSA-N 2 0 240.395 1.775 20 0 BDADRP CCN(CC)[C@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000091543924 632069684 /nfs/dbraw/zinc/06/96/84/632069684.db2.gz ZDNITUOOFJGGOC-RDBSUJKOSA-N 2 0 239.407 1.530 20 0 BDADRP C[N@@H+]1CCN(C[C@H]2CCC[NH2+]C2)CC1(C)C ZINC000250786314 635701720 /nfs/dbraw/zinc/70/17/20/635701720.db2.gz GEJIUTIDKQXZGU-LBPRGKRZSA-N 2 0 225.380 1.012 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](CCOc2ccccc2)C1 ZINC000125542818 632108795 /nfs/dbraw/zinc/10/87/95/632108795.db2.gz AAHFIDQAFHTUAZ-ZDUSSCGKSA-N 2 0 234.343 1.736 20 0 BDADRP CCn1nccc1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000157106039 632415566 /nfs/dbraw/zinc/41/55/66/632415566.db2.gz ZFDULLYPSBJGRF-UHFFFAOYSA-N 2 0 236.363 1.605 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000309523588 632468259 /nfs/dbraw/zinc/46/82/59/632468259.db2.gz UMUTVXHYVYFNNW-MQYQWHSLSA-N 2 0 220.360 1.740 20 0 BDADRP CC(C)CC[NH+]1CCC([NH2+][C@H]2C[C@@H](O)C2)CC1 ZINC000926553068 632493853 /nfs/dbraw/zinc/49/38/53/632493853.db2.gz YAQOAHYLJPVADF-OKILXGFUSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@@H]1OC[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)[C@@H]1C ZINC000926559057 632530480 /nfs/dbraw/zinc/53/04/80/632530480.db2.gz LSFHVVUYDZESQS-MBNYWOFBSA-N 2 0 240.391 1.874 20 0 BDADRP C[N@H+](CC1CC[NH+](C)CC1)C[C@@H]1CCC[NH2+]C1 ZINC000063120842 632537561 /nfs/dbraw/zinc/53/75/61/632537561.db2.gz LGBQSCAEOZCYFB-CQSZACIVSA-N 3 0 239.407 1.260 20 0 BDADRP C[C@@H](O)C1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000235297294 632636826 /nfs/dbraw/zinc/63/68/26/632636826.db2.gz PQORWYLBYGWWOV-CHWSQXEVSA-N 2 0 240.391 1.469 20 0 BDADRP Cc1cc(N)nc(NC[C@@H]2CCC[N@@H+](C)C2)[nH+]1 ZINC000892421700 632677341 /nfs/dbraw/zinc/67/73/41/632677341.db2.gz NUHSDQAGORYIJV-JTQLQIEISA-N 2 0 235.335 1.121 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@H]2CCC[C@H](CO)C2)CC1 ZINC000310394899 632734219 /nfs/dbraw/zinc/73/42/19/632734219.db2.gz HFRDZEHXOZLDNK-KBPBESRZSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H](C)[C@@H]1C ZINC000235658988 632809124 /nfs/dbraw/zinc/80/91/24/632809124.db2.gz KDRXCKFHUDCNPO-RNJOBUHISA-N 2 0 210.365 1.962 20 0 BDADRP CC(=O)OC[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000892622533 633020770 /nfs/dbraw/zinc/02/07/70/633020770.db2.gz QWCJRXGKZXEJRK-NEPJUHHUSA-N 2 0 242.363 1.260 20 0 BDADRP C[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)[C@H]1CCOC1 ZINC000166328054 633110539 /nfs/dbraw/zinc/11/05/39/633110539.db2.gz GWJRWRUZQUHSHK-DOMZBBRYSA-N 2 0 248.370 1.702 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CC[C@H](CCCO)C2)CC1 ZINC000894797014 635926609 /nfs/dbraw/zinc/92/66/09/635926609.db2.gz HPZPEVUCWIUVRZ-ZDUSSCGKSA-N 2 0 240.391 1.423 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@]2(C)CCC[NH2+]C2)CCS1 ZINC000220970084 636050078 /nfs/dbraw/zinc/05/00/78/636050078.db2.gz GANIYAZILFWTOJ-NEPJUHHUSA-N 2 0 228.405 1.813 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCCCCCO)CC[N@@H+]1C ZINC000182147240 633935601 /nfs/dbraw/zinc/93/56/01/633935601.db2.gz IWRQNYMTHIZSSQ-STQMWFEESA-N 2 0 228.380 1.611 20 0 BDADRP CCC[N@H+](C)C[C@H]1CCN(CC2OCCO2)C1 ZINC000182392448 633946088 /nfs/dbraw/zinc/94/60/88/633946088.db2.gz FHFRIKCQCFNISA-GFCCVEGCSA-N 2 0 242.363 1.023 20 0 BDADRP CC[C@@H](CCO)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925539070 633947401 /nfs/dbraw/zinc/94/74/01/633947401.db2.gz GIYRHOVVBACTQC-WDEREUQCSA-N 2 0 214.353 1.125 20 0 BDADRP C[N@H+](CC1CC[NH+](C)CC1)C1(CO)CCC1 ZINC000895475947 636148785 /nfs/dbraw/zinc/14/87/85/636148785.db2.gz OGCRIEFRYOYAAR-UHFFFAOYSA-N 2 0 226.364 1.175 20 0 BDADRP CC[NH+]1CCC([NH2+]CCOC2CCC2)CC1 ZINC000309975589 634055805 /nfs/dbraw/zinc/05/58/05/634055805.db2.gz SKRWQQKLNNBTHB-UHFFFAOYSA-N 2 0 226.364 1.629 20 0 BDADRP Cn1cc(CCC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)cn1 ZINC000925576898 634079041 /nfs/dbraw/zinc/07/90/41/634079041.db2.gz LCAGMZZWGBFZBB-STQMWFEESA-N 2 0 248.374 1.212 20 0 BDADRP C[C@@H](CNC(=O)CC[NH2+]C(C)(C)C)C[NH+](C)C ZINC000310196765 634086112 /nfs/dbraw/zinc/08/61/12/634086112.db2.gz ZVQCMCGVHJTNBK-NSHDSACASA-N 2 0 243.395 1.079 20 0 BDADRP [NH3+]CCC[C@@H]([NH2+]CC1(O)CCC1)c1ccccc1 ZINC000925609006 634144512 /nfs/dbraw/zinc/14/45/12/634144512.db2.gz NHXFPUBJWIVQSL-CQSZACIVSA-N 2 0 248.370 1.971 20 0 BDADRP C[C@H](O)C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925610645 634148356 /nfs/dbraw/zinc/14/83/56/634148356.db2.gz IPBKKDKOVLQIOX-UHTWSYAYSA-N 2 0 226.364 1.125 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C2(C)C)CCO1 ZINC000925616379 634160584 /nfs/dbraw/zinc/16/05/84/634160584.db2.gz RXHHAIZNSAADEX-AGIUHOORSA-N 2 0 240.391 1.920 20 0 BDADRP Cc1cncc(CN[C@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925628011 634184142 /nfs/dbraw/zinc/18/41/42/634184142.db2.gz DGAUYFZNBJYLTR-STQMWFEESA-N 2 0 231.343 1.750 20 0 BDADRP CO[C@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925661950 634226063 /nfs/dbraw/zinc/22/60/63/634226063.db2.gz FTSVTDKEGDEKLF-RVMXOQNASA-N 2 0 238.375 1.804 20 0 BDADRP C[C@H]1OCC[C@H]1[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925676356 634264762 /nfs/dbraw/zinc/26/47/62/634264762.db2.gz ZXFCVDASATWSRD-WISYIIOYSA-N 2 0 226.364 1.659 20 0 BDADRP CCC[N@H+](CC)C[C@@H](C)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000925676490 634266316 /nfs/dbraw/zinc/26/63/16/634266316.db2.gz MQERRNAVSQKQCI-MGPQQGTHSA-N 2 0 241.423 1.837 20 0 BDADRP CC[C@H](C)[C@H](CN[C@@H]1CC[NH2+]C12CCC2)OC ZINC000925678976 634276924 /nfs/dbraw/zinc/27/69/24/634276924.db2.gz GUDSOHPALVBXGD-RWMBFGLXSA-N 2 0 240.391 1.922 20 0 BDADRP COCC[C@H](C)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925684389 634295454 /nfs/dbraw/zinc/29/54/54/634295454.db2.gz AMZSQCBFUDMJQY-NWDGAFQWSA-N 2 0 226.364 1.533 20 0 BDADRP C[N@H+](CCCC[NH2+][C@H]1CC[NH2+]C1(C)C)C1CC1 ZINC000925686752 634300400 /nfs/dbraw/zinc/30/04/00/634300400.db2.gz YCHUZBOBAZGMRH-ZDUSSCGKSA-N 3 0 239.407 1.591 20 0 BDADRP C[C@@H]1NCCC[C@H]1[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000925686978 634301034 /nfs/dbraw/zinc/30/10/34/634301034.db2.gz YAGYTWSUVNGZRK-MELADBBJSA-N 3 0 239.407 1.448 20 0 BDADRP CC1(C)[C@@H](N[C@@H]2CCC[NH2+]C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925689782 634308186 /nfs/dbraw/zinc/30/81/86/634308186.db2.gz ILYAXEMWOYAZND-NDBYEHHHSA-N 2 0 237.391 1.105 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ncc[nH]1 ZINC000925689467 634309082 /nfs/dbraw/zinc/30/90/82/634309082.db2.gz AAIDLAQBPJFQGN-ZJUUUORDSA-N 2 0 208.309 1.060 20 0 BDADRP CC(C)[NH2+]CCCN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925693071 634324270 /nfs/dbraw/zinc/32/42/70/634324270.db2.gz OCFQGMZEBCGRAN-CYBMUJFWSA-N 2 0 239.407 1.639 20 0 BDADRP C[C@@H](N)[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccccc1 ZINC000925692609 634324752 /nfs/dbraw/zinc/32/47/52/634324752.db2.gz OJFQLMRZNRDAKI-DOMZBBRYSA-N 2 0 247.386 1.664 20 0 BDADRP C[C@H]([NH3+])[C@@H](NC[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000925693503 634330058 /nfs/dbraw/zinc/33/00/58/634330058.db2.gz PALMZWNWCKZPAW-AEGPPILISA-N 2 0 247.386 1.807 20 0 BDADRP [NH3+]C1CCC([NH2+][C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925693499 634330478 /nfs/dbraw/zinc/33/04/78/634330478.db2.gz OZZKAGWCONXXEH-BPCQOVAHSA-N 3 0 237.391 1.521 20 0 BDADRP [NH3+]CCCN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925694364 634336695 /nfs/dbraw/zinc/33/66/95/634336695.db2.gz TXIGAAUBAKJCND-OLZOCXBDSA-N 2 0 225.380 1.093 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925694819 634340009 /nfs/dbraw/zinc/34/00/09/634340009.db2.gz UBVQODNBISQWHQ-YUTCNCBUSA-N 2 0 235.375 1.648 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H]2C[C@@H](O)C2)C1 ZINC000925695456 634347804 /nfs/dbraw/zinc/34/78/04/634347804.db2.gz XASBXICYWZDQEM-DBIOUOCHSA-N 2 0 212.337 1.005 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925699936 634368274 /nfs/dbraw/zinc/36/82/74/634368274.db2.gz QNQJBPKHBVEXIJ-IJLUTSLNSA-N 2 0 225.380 1.363 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925701996 634375963 /nfs/dbraw/zinc/37/59/63/634375963.db2.gz JBVJLAWBVLSYLO-RNJOBUHISA-N 3 0 237.391 1.186 20 0 BDADRP CO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925701789 634376166 /nfs/dbraw/zinc/37/61/66/634376166.db2.gz FTSVTDKEGDEKLF-FDYHWXHSSA-N 2 0 238.375 1.804 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@H](C)[C@@H](C)O)CC1 ZINC000309019932 635152501 /nfs/dbraw/zinc/15/25/01/635152501.db2.gz WLXZARSYNNBLQR-GHMZBOCLSA-N 2 0 214.353 1.218 20 0 BDADRP C[C@H]([NH3+])CN(C)Cc1ccc2c(c1)CCO2 ZINC000258789570 635203641 /nfs/dbraw/zinc/20/36/41/635203641.db2.gz PXWXHIPUFZOTHK-JTQLQIEISA-N 2 0 220.316 1.401 20 0 BDADRP C[C@@H]1C[C@H](NCc2cc(N)cc[nH+]2)C[N@@H+]1C1CC1 ZINC000925771496 635208460 /nfs/dbraw/zinc/20/84/60/635208460.db2.gz MHQIZXUPNHNXNJ-MFKMUULPSA-N 2 0 246.358 1.379 20 0 BDADRP CC[C@@H](C[NH2+]CC1CC[NH+](C)CC1)C(=O)OC ZINC000258886149 635215863 /nfs/dbraw/zinc/21/58/63/635215863.db2.gz CRHWBTBDORWOMC-LBPRGKRZSA-N 2 0 242.363 1.117 20 0 BDADRP C[C@H](Cc1cnccn1)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000925777497 635260935 /nfs/dbraw/zinc/26/09/35/635260935.db2.gz FBFQNJUEIONYBD-UTUOFQBUSA-N 2 0 234.347 1.267 20 0 BDADRP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925786004 635303119 /nfs/dbraw/zinc/30/31/19/635303119.db2.gz RCXBMZQSHWBDAC-ZOBORPQBSA-N 2 0 240.391 1.637 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925799578 635342972 /nfs/dbraw/zinc/34/29/72/635342972.db2.gz VPWPABBXVRWIJN-DDHJBXDOSA-N 2 0 214.353 1.245 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)[C@H](C)O1 ZINC000925802698 635350051 /nfs/dbraw/zinc/35/00/51/635350051.db2.gz IAIMCQRNVOBKHN-UJPOAAIJSA-N 2 0 226.364 1.388 20 0 BDADRP CN(C)c1cc[nH+]c(CN[C@H]2CCC[NH2+]CC2)c1 ZINC000925807779 635361629 /nfs/dbraw/zinc/36/16/29/635361629.db2.gz CIDGELHUIFVLIO-LBPRGKRZSA-N 2 0 248.374 1.379 20 0 BDADRP C[C@@H]1CCC[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925812667 635369702 /nfs/dbraw/zinc/36/97/02/635369702.db2.gz XZOCEAOESFVFRI-YPMHNXCESA-N 2 0 225.380 1.188 20 0 BDADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)C3CC3)CC[C@@H]21 ZINC000167628297 635384015 /nfs/dbraw/zinc/38/40/15/635384015.db2.gz BRYMXAAMAAUUIW-RDBSUJKOSA-N 2 0 238.375 1.173 20 0 BDADRP [NH3+]C[C@H]1CCC[N@H+](C[C@H]2CCCCO2)C1 ZINC000036231121 635553133 /nfs/dbraw/zinc/55/31/33/635553133.db2.gz SIKLNFQMZFYTHT-VXGBXAGGSA-N 2 0 212.337 1.226 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(F)cn1 ZINC000925883019 635611718 /nfs/dbraw/zinc/61/17/18/635611718.db2.gz RFLGMGLVTIFSCX-FOGDFJRCSA-N 2 0 237.322 1.999 20 0 BDADRP C[C@@H]([NH2+]C1([C@@H]2CCCCO2)CC1)C1C[NH2+]C1 ZINC000925894080 635619191 /nfs/dbraw/zinc/61/91/91/635619191.db2.gz UDDGXDMGIXCULP-PWSUYJOCSA-N 2 0 224.348 1.286 20 0 BDADRP CC[NH+](CC)C[C@H](C)Nc1cc(C)[nH+]c(N)n1 ZINC000109746065 636654573 /nfs/dbraw/zinc/65/45/73/636654573.db2.gz KIJVIEDHIRPAFO-JTQLQIEISA-N 2 0 237.351 1.509 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCCO2)CC[N@@H+]1C ZINC000252176417 636780113 /nfs/dbraw/zinc/78/01/13/636780113.db2.gz SCBWFNQMDBHHAJ-FRRDWIJNSA-N 2 0 226.364 1.628 20 0 BDADRP CCCNC(=O)CC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089145901 636904584 /nfs/dbraw/zinc/90/45/84/636904584.db2.gz BPBYEYCGWVYFNY-VXGBXAGGSA-N 2 0 241.379 1.010 20 0 BDADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCc1cccnc1 ZINC000054602170 637035072 /nfs/dbraw/zinc/03/50/72/637035072.db2.gz WEXODDIOVGMFLB-GOOCMWNKSA-N 2 0 245.370 1.968 20 0 BDADRP [NH3+]CCCCCC[NH+]1CCN(C2CC2)CC1 ZINC000042491220 637274361 /nfs/dbraw/zinc/27/43/61/637274361.db2.gz CQWMDHXTYYFVQP-UHFFFAOYSA-N 2 0 225.380 1.286 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@@]3(CC3(F)F)C2)C1 ZINC000903461890 637362466 /nfs/dbraw/zinc/36/24/66/637362466.db2.gz ZQCZEEIDKOJBFA-HBNTYKKESA-N 2 0 230.302 1.845 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H](CN)C1 ZINC000903463716 637363909 /nfs/dbraw/zinc/36/39/09/637363909.db2.gz JXSUPRBRBOUVIL-NDBYEHHHSA-N 2 0 225.380 1.173 20 0 BDADRP CCC(C)(C)[NH+]1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000903463598 637364102 /nfs/dbraw/zinc/36/41/02/637364102.db2.gz GHGRFIFKVKVUFK-CYBMUJFWSA-N 2 0 239.407 1.545 20 0 BDADRP CC(C)(C)OC[C@@H]1CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000903565381 637371344 /nfs/dbraw/zinc/37/13/44/637371344.db2.gz IOEFPVSRINWHQK-STQMWFEESA-N 2 0 240.391 1.875 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903788523 637382535 /nfs/dbraw/zinc/38/25/35/637382535.db2.gz NDAUIGLYJGPBAC-OLZOCXBDSA-N 3 0 225.380 1.047 20 0 BDADRP C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1C[C@@H]1CCCC[NH2+]C1 ZINC000903786694 637382729 /nfs/dbraw/zinc/38/27/29/637382729.db2.gz PDVYRYDOCUQYRK-XDQVBPFNSA-N 2 0 239.407 1.447 20 0 BDADRP Cc1cn(C)nc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000903789632 637383227 /nfs/dbraw/zinc/38/32/27/637383227.db2.gz YPZGYMZHAKKUSN-JQWIXIFHSA-N 2 0 236.363 1.145 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CCCC[NH2+]C2)CC[C@H]1C[NH3+] ZINC000903789454 637383964 /nfs/dbraw/zinc/38/39/64/637383964.db2.gz XIQYUJPLCIVBQN-RDBSUJKOSA-N 3 0 239.407 1.293 20 0 BDADRP C(CN1CCC[C@@]12CC[NH2+]C2)C1CC[NH2+]CC1 ZINC000903865708 637385808 /nfs/dbraw/zinc/38/58/08/637385808.db2.gz FGFJNOTVPKFBFU-AWEZNQCLSA-N 2 0 237.391 1.204 20 0 BDADRP CC1(C)C[NH2+]C[C@H]1[NH2+]C[C@@H]1CCSC1 ZINC000904462201 637406853 /nfs/dbraw/zinc/40/68/53/637406853.db2.gz OJCIZCCZPRHESH-VHSXEESVSA-N 2 0 214.378 1.327 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H]1COC[C@@H]1C1CC1 ZINC000904475124 637425526 /nfs/dbraw/zinc/42/55/26/637425526.db2.gz ISTGYNQRZMGIGN-CABNGKKXSA-N 2 0 238.375 1.532 20 0 BDADRP CC(C)(C)[NH2+]Cc1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000905059900 637590639 /nfs/dbraw/zinc/59/06/39/637590639.db2.gz YGMIXMHPXPUUME-LLVKDONJSA-N 2 0 237.351 1.091 20 0 BDADRP COc1ccccc1/C=C/C[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC000906508294 638178430 /nfs/dbraw/zinc/17/84/30/638178430.db2.gz LLCUVBBDPVOZPQ-SKTRJTJASA-N 2 0 232.327 1.788 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC000906508675 638181843 /nfs/dbraw/zinc/18/18/43/638181843.db2.gz UJAREXSITVWDRX-BMPTWCBHSA-N 2 0 202.301 1.779 20 0 BDADRP COc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)cc1Cl ZINC000906508782 638182048 /nfs/dbraw/zinc/18/20/48/638182048.db2.gz ZRMDFMXFVBLMDU-MGCOHNPYSA-N 2 0 240.734 1.928 20 0 BDADRP CCOc1ccc(C[NH2+]C2CC([NH3+])C2)cc1F ZINC000906510483 638184037 /nfs/dbraw/zinc/18/40/37/638184037.db2.gz JYSNODGDWOAXAX-UHFFFAOYSA-N 2 0 238.306 1.804 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000906518863 638187200 /nfs/dbraw/zinc/18/72/00/638187200.db2.gz SPRHKVXTBVZLFD-XUXIUFHCSA-N 2 0 216.328 1.869 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CN[C@H]1C[C@H]([NH3+])C1 ZINC000906518438 638187760 /nfs/dbraw/zinc/18/77/60/638187760.db2.gz NQXHXXHDCVLRBL-GMTAPVOTSA-N 2 0 213.369 1.219 20 0 BDADRP CCCC[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000906527980 638192983 /nfs/dbraw/zinc/19/29/83/638192983.db2.gz PTNORPFUMKZOKI-CYBMUJFWSA-N 2 0 227.396 1.402 20 0 BDADRP CCCC[NH2+]C[C@@H](CC[NH+](C)C)OCC ZINC000906527972 638193216 /nfs/dbraw/zinc/19/32/16/638193216.db2.gz PGWUZMQVJQEYEX-GFCCVEGCSA-N 2 0 216.369 1.733 20 0 BDADRP CCCC[NH2+]C[C@H](C)CN1CC[NH+](CC)CC1 ZINC000906529113 638194199 /nfs/dbraw/zinc/19/41/99/638194199.db2.gz FQWOMCILGBOGFK-AWEZNQCLSA-N 2 0 241.423 1.650 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)CC(C)(C)C[NH3+] ZINC000911684608 639723163 /nfs/dbraw/zinc/72/31/63/639723163.db2.gz PEEFXXQMEHVTRP-WDEREUQCSA-N 2 0 241.379 1.090 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)CC(C)(C)C[NH3+] ZINC000911684606 639725159 /nfs/dbraw/zinc/72/51/59/639725159.db2.gz PEEFXXQMEHVTRP-MNOVXSKESA-N 2 0 241.379 1.090 20 0 BDADRP C[NH2+]Cc1ccccc1NC(=O)CC1CC([NH3+])C1 ZINC000911682895 639725959 /nfs/dbraw/zinc/72/59/59/639725959.db2.gz RGWSNUDRZSJCIX-UHFFFAOYSA-N 2 0 247.342 1.472 20 0 BDADRP CC(C)(C)[C@H]([NH3+])CC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000911713474 639740600 /nfs/dbraw/zinc/74/06/00/639740600.db2.gz IVLVQMRMRGIWTC-WDEREUQCSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C2(N(C)C)CC2)cc1 ZINC000911843941 639837602 /nfs/dbraw/zinc/83/76/02/639837602.db2.gz CFVAXJPSVGISGB-SNVBAGLBSA-N 2 0 247.342 1.739 20 0 BDADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N(C)CC(C)(C)C[NH3+] ZINC000911867870 639852622 /nfs/dbraw/zinc/85/26/22/639852622.db2.gz NVCMDZGZFDHHMS-WDEREUQCSA-N 2 0 243.395 1.193 20 0 BDADRP CC(C)C[C@@H]([NH3+])CC(=O)N(C)CC(C)(C)C[NH3+] ZINC000911868714 639853313 /nfs/dbraw/zinc/85/33/13/639853313.db2.gz SFYGNQXITLKHOO-LLVKDONJSA-N 2 0 243.395 1.193 20 0 BDADRP CC[C@@H](CO)[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931353524 640166650 /nfs/dbraw/zinc/16/66/50/640166650.db2.gz FBINLMYJTVIPEK-NSHDSACASA-N 2 0 214.353 1.173 20 0 BDADRP C[NH+](C)C1(C)CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000931351111 640168593 /nfs/dbraw/zinc/16/85/93/640168593.db2.gz HDGPYJZRFLNLIG-ZDUSSCGKSA-N 2 0 240.391 1.829 20 0 BDADRP Cc1oncc1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000931435953 640204289 /nfs/dbraw/zinc/20/42/89/640204289.db2.gz JFYPSWIBHQIFLC-YPMHNXCESA-N 2 0 235.331 1.367 20 0 BDADRP CC[C@H](CO)[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000931685066 640316419 /nfs/dbraw/zinc/31/64/19/640316419.db2.gz YICZWJQSWCUVPH-QWHCGFSZSA-N 2 0 249.358 1.363 20 0 BDADRP COCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000931724249 640338951 /nfs/dbraw/zinc/33/89/51/640338951.db2.gz AFKFPMWWZJKMGQ-XQQFMLRXSA-N 2 0 226.364 1.580 20 0 BDADRP CC(C)OCCC[N@@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000931726202 640339828 /nfs/dbraw/zinc/33/98/28/640339828.db2.gz FEQILINUJXSRBC-KGLIPLIRSA-N 2 0 240.391 1.970 20 0 BDADRP CC[C@H](CO)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000931763348 640357166 /nfs/dbraw/zinc/35/71/66/640357166.db2.gz GLSXFWDHJLNGMF-CHWSQXEVSA-N 2 0 249.358 1.363 20 0 BDADRP CC(C)OCC[NH2+]CC1CC[NH+](C)CC1 ZINC000044518067 640398691 /nfs/dbraw/zinc/39/86/91/640398691.db2.gz LTTLCYBFBMCSAA-UHFFFAOYSA-N 2 0 214.353 1.343 20 0 BDADRP C[NH+]1CCC(C[NH2+]CCc2ccccn2)CC1 ZINC000044518018 640399586 /nfs/dbraw/zinc/39/95/86/640399586.db2.gz PHHXVOXMXBUFJC-UHFFFAOYSA-N 2 0 233.359 1.556 20 0 BDADRP CC(C)C(=O)CC[N@@H+]1C[C@@H]2CN(C)C[C@]2(C)C1 ZINC000933732154 640752411 /nfs/dbraw/zinc/75/24/11/640752411.db2.gz KNTHWMOBRRUHFA-GXTWGEPZSA-N 2 0 238.375 1.485 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCCCCCO)C1 ZINC000226422667 640762410 /nfs/dbraw/zinc/76/24/10/640762410.db2.gz UHJHQQPGXSMNLD-STQMWFEESA-N 2 0 228.380 1.598 20 0 BDADRP C[C@@H](CCO)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000167930412 640766299 /nfs/dbraw/zinc/76/62/99/640766299.db2.gz QYBNLFPNENWMPS-NSHDSACASA-N 2 0 228.380 1.610 20 0 BDADRP CC[NH+](CC)CCC[N@H+](CC)CCC(=O)NC ZINC000933861601 640773455 /nfs/dbraw/zinc/77/34/55/640773455.db2.gz CYOROJNVTCDKHE-UHFFFAOYSA-N 2 0 243.395 1.176 20 0 BDADRP Cc1ccc(O)c(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)n1 ZINC000227058303 640812540 /nfs/dbraw/zinc/81/25/40/640812540.db2.gz MCKSRWCYJAFQIG-ONGXEEELSA-N 2 0 235.331 1.265 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC000227120036 640816984 /nfs/dbraw/zinc/81/69/84/640816984.db2.gz KWVIECLUTONDHQ-SOUVJXGZSA-N 2 0 248.370 1.827 20 0 BDADRP CCCNC(=[NH2+])NCC1(C)CC[NH+](C)CC1 ZINC000227197356 640819644 /nfs/dbraw/zinc/81/96/44/640819644.db2.gz BLNHVYOFBSBYDG-UHFFFAOYSA-N 2 0 226.368 1.242 20 0 BDADRP [NH3+]CCCCCC(=O)Nc1cccc(C[NH3+])c1 ZINC000169816768 640878851 /nfs/dbraw/zinc/87/88/51/640878851.db2.gz BYZUCIBRRUXEDY-UHFFFAOYSA-N 2 0 235.331 1.603 20 0 BDADRP COCC[C@@H](C)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000229256113 640940051 /nfs/dbraw/zinc/94/00/51/640940051.db2.gz XEADQZCNKMFPGT-GHMZBOCLSA-N 2 0 200.326 1.082 20 0 BDADRP COc1cccc(C[NH2+]C2CC([NH3+])C2)c1 ZINC000087651620 640957819 /nfs/dbraw/zinc/95/78/19/640957819.db2.gz RJMPBEKONAFJCM-UHFFFAOYSA-N 2 0 206.289 1.275 20 0 BDADRP CC(C)CNC(=[NH2+])NCCC[NH+]1CCCC1 ZINC000062072533 641019781 /nfs/dbraw/zinc/01/97/81/641019781.db2.gz BLFDNZXUJPYFFE-UHFFFAOYSA-N 2 0 226.368 1.242 20 0 BDADRP Cn1ccnc1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000062252415 641028955 /nfs/dbraw/zinc/02/89/55/641028955.db2.gz VWZOYNCVBKNYFG-UHFFFAOYSA-N 2 0 222.336 1.122 20 0 BDADRP CO[C@@H]1CC[C@H]1[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000934120076 641083358 /nfs/dbraw/zinc/08/33/58/641083358.db2.gz ZEHXLYGLRRCPLT-YNEHKIRRSA-N 2 0 226.364 1.580 20 0 BDADRP C[N@H+](CCc1ccncc1)C[C@]1(C)CC[NH2+]C1 ZINC000062911324 641107676 /nfs/dbraw/zinc/10/76/76/641107676.db2.gz ZEEUBSAPNSAYOA-CQSZACIVSA-N 2 0 233.359 1.556 20 0 BDADRP CC[C@H](CO)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000929695177 641400211 /nfs/dbraw/zinc/40/02/11/641400211.db2.gz GDJHPRSMYIERGH-QWHCGFSZSA-N 2 0 226.364 1.175 20 0 BDADRP COC/C(C)=C/C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000929698905 641405230 /nfs/dbraw/zinc/40/52/30/641405230.db2.gz BXLMPCPKKIIWLX-GUNGLEHYSA-N 2 0 240.391 1.853 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000089147685 641465394 /nfs/dbraw/zinc/46/53/94/641465394.db2.gz FQPSMIOJWBMNRX-NEPJUHHUSA-N 2 0 248.326 1.632 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC=CO2)CC[N@@H+]1C ZINC000157692705 641622299 /nfs/dbraw/zinc/62/22/99/641622299.db2.gz SWWBMZWMMBPRSN-AGIUHOORSA-N 2 0 224.348 1.751 20 0 BDADRP OCC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000090079518 641696198 /nfs/dbraw/zinc/69/61/98/641696198.db2.gz FRUWOLCPYSGRER-IHRRRGAJSA-N 2 0 238.375 1.364 20 0 BDADRP C[NH+]1CCN(C[C@@H]([NH3+])CCC(C)(C)C)CC1 ZINC000076069124 641791765 /nfs/dbraw/zinc/79/17/65/641791765.db2.gz CCICPWSWFBJTFV-LBPRGKRZSA-N 2 0 227.396 1.387 20 0 BDADRP C[NH2+]Cc1ccccc1NC(=O)CCCCC[NH3+] ZINC000154133596 641967404 /nfs/dbraw/zinc/96/74/04/641967404.db2.gz CKYKLPCLWDQUJK-UHFFFAOYSA-N 2 0 249.358 1.864 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+]CC2([NH3+])CC2)C1(C)C ZINC000233763946 642691963 /nfs/dbraw/zinc/69/19/63/642691963.db2.gz IIASQRCDESJCGX-UWVGGRQHSA-N 2 0 212.337 1.271 20 0 BDADRP CCOCC[N@H+](CC)C[C@@H]1C[NH2+]C[C@H]1C ZINC000233739372 642692004 /nfs/dbraw/zinc/69/20/04/642692004.db2.gz PGOBMDVRUFPTEA-NEPJUHHUSA-N 2 0 214.353 1.200 20 0 BDADRP Cc1cc(NCC[N@@H+](C)C(C)C)nc(N)[nH+]1 ZINC000082375799 643306926 /nfs/dbraw/zinc/30/69/26/643306926.db2.gz GXURBAQGCMYAHA-UHFFFAOYSA-N 2 0 223.324 1.119 20 0 BDADRP C[N@H+](C[C@@H]1CCCOC1)C1CCC([NH3+])CC1 ZINC000082544762 643339622 /nfs/dbraw/zinc/33/96/22/643339622.db2.gz APYDWENXTOWEBX-HIFPTAJRSA-N 2 0 226.364 1.615 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)C[C@H]1CCCOC1 ZINC000235262364 643375715 /nfs/dbraw/zinc/37/57/15/643375715.db2.gz CHVIQIIIMGPICZ-UPJWGTAASA-N 2 0 226.364 1.200 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCC(F)(F)F ZINC000084221754 643650203 /nfs/dbraw/zinc/65/02/03/643650203.db2.gz OHOBDVDHXPMXTQ-SFYZADRCSA-N 2 0 210.243 1.656 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1nccs1 ZINC000084216779 643650523 /nfs/dbraw/zinc/65/05/23/643650523.db2.gz VGRZYZGMTIWQRQ-MNOVXSKESA-N 2 0 239.388 1.793 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1NCC[NH+]1CCCCC1 ZINC000084220865 643651469 /nfs/dbraw/zinc/65/14/69/643651469.db2.gz ZOOOPSILCRNBDZ-OLZOCXBDSA-N 2 0 225.380 1.189 20 0 BDADRP COCC[N@H+](CC[C@H]1CC[NH2+]C1)CC(C)C ZINC000084385364 643660261 /nfs/dbraw/zinc/66/02/61/643660261.db2.gz QLTBRFBKMFHLRT-CYBMUJFWSA-N 2 0 228.380 1.590 20 0 BDADRP CCOc1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000050245243 643660429 /nfs/dbraw/zinc/66/04/29/643660429.db2.gz SRQPEGWUDDNMRO-CYBMUJFWSA-N 2 0 234.343 1.866 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@H]2CCC=CO2)CC1 ZINC000050269444 643672132 /nfs/dbraw/zinc/67/21/32/643672132.db2.gz RRLOEYLBRISJGH-CYBMUJFWSA-N 2 0 224.348 1.753 20 0 BDADRP COC(=O)CCC[N@H+](C)C1CCC([NH3+])CC1 ZINC000085870127 643824653 /nfs/dbraw/zinc/82/46/53/643824653.db2.gz SCNVSOINHFOZHF-UHFFFAOYSA-N 2 0 228.336 1.141 20 0 BDADRP CN(C)C1(C[NH2+]Cc2cc[nH]c(=O)c2)CCC1 ZINC000922037760 643850798 /nfs/dbraw/zinc/85/07/98/643850798.db2.gz ITVBNYCYIVXZRN-UHFFFAOYSA-N 2 0 235.331 1.361 20 0 BDADRP [NH3+][C@H]1CCCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923279689 644312214 /nfs/dbraw/zinc/31/22/14/644312214.db2.gz BGBOFHCFNYIION-PBNFFQIGSA-N 2 0 237.391 1.330 20 0 BDADRP CC(C)CC[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000923282420 644315504 /nfs/dbraw/zinc/31/55/04/644315504.db2.gz VVFUGGRFYZOBGS-QWHCGFSZSA-N 2 0 228.380 1.454 20 0 BDADRP CCCCCC[C@H](O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000923281917 644316268 /nfs/dbraw/zinc/31/62/68/644316268.db2.gz JJEZVCWWSNXJMG-KGLIPLIRSA-N 2 0 242.407 1.988 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](C[C@@H](O)CCc2ccccc2)C1 ZINC000923282632 644317648 /nfs/dbraw/zinc/31/76/48/644317648.db2.gz XNEKVDSUQRXCCW-GJZGRUSLSA-N 2 0 248.370 1.261 20 0 BDADRP CCCCCC[C@@H](O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000923282869 644318369 /nfs/dbraw/zinc/31/83/69/644318369.db2.gz YAIOFVFTRRBRGI-CHWSQXEVSA-N 2 0 228.380 1.598 20 0 BDADRP C[C@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)Cc2ccccc21 ZINC000923299604 644326361 /nfs/dbraw/zinc/32/63/61/644326361.db2.gz XCGFVLPWHCCNAH-LVGORTOPSA-N 2 0 246.354 1.456 20 0 BDADRP NC[C@@H]1CCC[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923293110 644328021 /nfs/dbraw/zinc/32/80/21/644328021.db2.gz NLVHRGNAHBADLI-GSPSYOTPSA-N 2 0 237.391 1.330 20 0 BDADRP [NH3+]C[C@H]1CCCN1C[C@@H](O)Cc1ccccc1 ZINC000923293614 644330536 /nfs/dbraw/zinc/33/05/36/644330536.db2.gz ZGWCDUXOAKFCQX-KGLIPLIRSA-N 2 0 234.343 1.013 20 0 BDADRP C[C@@H]1CN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC000923292504 644330596 /nfs/dbraw/zinc/33/05/96/644330596.db2.gz YRLKWGYZASMEJQ-RLAWYHOSSA-N 2 0 237.391 1.201 20 0 BDADRP C[N@H+](CC1CCCC1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923308265 644337908 /nfs/dbraw/zinc/33/79/08/644337908.db2.gz AXKPGAXIHZRJQV-CYBMUJFWSA-N 2 0 238.375 1.487 20 0 BDADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@H](c3ccccc3)C2)C1 ZINC000923303313 644340332 /nfs/dbraw/zinc/34/03/32/644340332.db2.gz KPSLLFDKRQVAKB-AJNGGQMLSA-N 2 0 246.354 1.327 20 0 BDADRP CC[N@H+](CCC[NH2+]C1CC1)C[C@H]1CCOC1 ZINC000923305595 644340845 /nfs/dbraw/zinc/34/08/45/644340845.db2.gz HFMUQVJEFJYZOK-GFCCVEGCSA-N 2 0 226.364 1.487 20 0 BDADRP CCC[C@@H]1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923316326 644344820 /nfs/dbraw/zinc/34/48/20/644344820.db2.gz HQVYFYAJGDERCL-VOAKCMCISA-N 2 0 226.364 1.349 20 0 BDADRP CC[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)[C@@H](C)C(C)C ZINC000923308935 644347600 /nfs/dbraw/zinc/34/76/00/644347600.db2.gz KCRDINUAJKDRQY-QWHCGFSZSA-N 2 0 240.391 1.731 20 0 BDADRP CC(C)CC[C@H](O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000923333871 644353724 /nfs/dbraw/zinc/35/37/24/644353724.db2.gz YQHMKLAKCGUHDY-XQQFMLRXSA-N 2 0 228.380 1.453 20 0 BDADRP [NH3+]CCOc1ccc(NCCC[NH2+]C2CC2)cc1 ZINC000923333123 644353865 /nfs/dbraw/zinc/35/38/65/644353865.db2.gz UGTLLMLFXCINQB-UHFFFAOYSA-N 2 0 249.358 1.578 20 0 BDADRP [NH3+]CC[C@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923350080 644363129 /nfs/dbraw/zinc/36/31/29/644363129.db2.gz ZQJQOPHFHHNUMD-GFCCVEGCSA-N 3 0 225.380 1.189 20 0 BDADRP CC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000923363591 644374816 /nfs/dbraw/zinc/37/48/16/644374816.db2.gz DAYNGBZGFZTYMS-FRRDWIJNSA-N 2 0 226.364 1.221 20 0 BDADRP C[N@H+](CCc1cccc(F)c1)C1CC([NH3+])C1 ZINC000923363661 644375368 /nfs/dbraw/zinc/37/53/68/644375368.db2.gz XGZVWQLUNCNEAS-UHFFFAOYSA-N 2 0 222.307 1.790 20 0 BDADRP CCCCCC[C@@H](O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000923356899 644376655 /nfs/dbraw/zinc/37/66/55/644376655.db2.gz VOMRJNMLPGYGBM-ZIAGYGMSSA-N 2 0 242.407 1.988 20 0 BDADRP C[C@@H]1CN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1[NH3+] ZINC000923366185 644377361 /nfs/dbraw/zinc/37/73/61/644377361.db2.gz KOCJNCPNTDXLDJ-RKFYDKJMSA-N 2 0 237.391 1.186 20 0 BDADRP C(C[NH2+]C1CC1)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000923360194 644384668 /nfs/dbraw/zinc/38/46/68/644384668.db2.gz YFMCFXPGQIEXSZ-UHFFFAOYSA-N 3 0 237.391 1.204 20 0 BDADRP C[C@H]1CCCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923373607 644388663 /nfs/dbraw/zinc/38/86/63/644388663.db2.gz QNQRPPLTVMODPN-STQMWFEESA-N 2 0 238.375 1.487 20 0 BDADRP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923376937 644391110 /nfs/dbraw/zinc/39/11/10/644391110.db2.gz PKCLNWAESNVKAK-XWUBHJNHSA-N 2 0 234.343 1.496 20 0 BDADRP CC(C)[C@H]([NH2+][C@H]1C[C@H]([NH3+])C[C@@H]1O)c1ccccc1 ZINC000923377578 644392172 /nfs/dbraw/zinc/39/21/72/644392172.db2.gz UXPQPIMJGPNFCL-AJNGGQMLSA-N 2 0 248.370 1.824 20 0 BDADRP CC(C)CC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000923391916 644398528 /nfs/dbraw/zinc/39/85/28/644398528.db2.gz GRXAIOZNGAEZIO-UPJWGTAASA-N 2 0 228.380 1.595 20 0 BDADRP CC(C)CC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000923391917 644399580 /nfs/dbraw/zinc/39/95/80/644399580.db2.gz GRXAIOZNGAEZIO-XQQFMLRXSA-N 2 0 228.380 1.595 20 0 BDADRP C[C@H](O)C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000923415889 644409865 /nfs/dbraw/zinc/40/98/65/644409865.db2.gz SDVPVGZCWWXWIN-CMPLNLGQSA-N 2 0 214.353 1.064 20 0 BDADRP Cc1nc(C)c([C@H](C)NCC2([NH3+])CC2)s1 ZINC000083837118 644410157 /nfs/dbraw/zinc/41/01/57/644410157.db2.gz ZBIOYVSRBFTWNX-ZETCQYMHSA-N 2 0 225.361 1.902 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CN1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923413585 644416341 /nfs/dbraw/zinc/41/63/41/644416341.db2.gz RBGIZTXJNBVCOP-RFLLOBDJSA-N 2 0 237.391 1.329 20 0 BDADRP C1=CC[C@@H]2C[N@@H+](C[C@H]3CC4(C[NH2+]C4)CO3)C[C@@H]2C1 ZINC000923415488 644416600 /nfs/dbraw/zinc/41/66/00/644416600.db2.gz QNZPIMCSXHZQKK-HZSPNIEDSA-N 2 0 248.370 1.263 20 0 BDADRP C[NH2+]CCN(CCC[NH2+]C1CC1)C(C)C ZINC000923432505 644426913 /nfs/dbraw/zinc/42/69/13/644426913.db2.gz DPIGQHXPTIQMOP-UHFFFAOYSA-N 2 0 213.369 1.058 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923444946 644429651 /nfs/dbraw/zinc/42/96/51/644429651.db2.gz IVYPHRGPNIVTIF-JHJVBQTASA-N 2 0 238.375 1.472 20 0 BDADRP C[C@@H]1C[C@H]1C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923444942 644429672 /nfs/dbraw/zinc/42/96/72/644429672.db2.gz IVYPHRGPNIVTIF-AGIUHOORSA-N 2 0 238.375 1.472 20 0 BDADRP C(CN1CC[C@@H]2CC[NH2+][C@@H]2C1)[C@H]1CCC[NH2+]C1 ZINC000923457026 644437228 /nfs/dbraw/zinc/43/72/28/644437228.db2.gz UJPLQVQKTJPVOE-HZSPNIEDSA-N 2 0 237.391 1.060 20 0 BDADRP CN(C)c1ccccc1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923482318 644460362 /nfs/dbraw/zinc/46/03/62/644460362.db2.gz DGYROTWYWBUDAC-ZDUSSCGKSA-N 2 0 247.386 1.923 20 0 BDADRP CCc1nocc1C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923495164 644462733 /nfs/dbraw/zinc/46/27/33/644462733.db2.gz UQSFFYIFNFYUEG-WDEREUQCSA-N 2 0 237.347 1.654 20 0 BDADRP CCO[C@H](C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1)C1CC1 ZINC000923489797 644465957 /nfs/dbraw/zinc/46/59/57/644465957.db2.gz LCHSPWCCKRFWQT-FPMFFAJLSA-N 2 0 240.391 1.718 20 0 BDADRP C[C@@H]1C[N@H+](CCCCCC[NH3+])CC[C@H]1C[NH3+] ZINC000923493197 644467276 /nfs/dbraw/zinc/46/72/76/644467276.db2.gz FJSALJXBATUUCV-OLZOCXBDSA-N 3 0 227.396 1.422 20 0 BDADRP C[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)CC[C@H]1C[NH3+] ZINC000923491897 644467620 /nfs/dbraw/zinc/46/76/20/644467620.db2.gz UXTXOTGPMHTBJR-VWYCJHECSA-N 2 0 248.317 1.327 20 0 BDADRP Cc1nocc1C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923492927 644468208 /nfs/dbraw/zinc/46/82/08/644468208.db2.gz ZMMCLKNNUKLUJP-KOLCDFICSA-N 2 0 223.320 1.400 20 0 BDADRP Cc1nocc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923492929 644468530 /nfs/dbraw/zinc/46/85/30/644468530.db2.gz ZMMCLKNNUKLUJP-ONGXEEELSA-N 2 0 223.320 1.400 20 0 BDADRP Cc1ncccc1C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923493931 644469312 /nfs/dbraw/zinc/46/93/12/644469312.db2.gz JKESLHVMBBOWDW-WCQYABFASA-N 2 0 233.359 1.807 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cccnc2)CC[C@H]1C[NH3+] ZINC000923501994 644469638 /nfs/dbraw/zinc/46/96/38/644469638.db2.gz VFHCPKDVZLWQPY-YPMHNXCESA-N 2 0 219.332 1.498 20 0 BDADRP C[C@H]1C[N@H+](CCC[NH2+]C2CC2)CC[C@@H]1C[NH3+] ZINC000923494525 644471218 /nfs/dbraw/zinc/47/12/18/644471218.db2.gz YLXVZBFQQZDRSK-NWDGAFQWSA-N 3 0 225.380 1.045 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccno2)CC[C@@H]1C[NH3+] ZINC000923501124 644475902 /nfs/dbraw/zinc/47/59/02/644475902.db2.gz ZDQSVUILPYRTMD-NXEZZACHSA-N 2 0 209.293 1.091 20 0 BDADRP CCCCCC[C@@H](O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923514843 644477724 /nfs/dbraw/zinc/47/77/24/644477724.db2.gz CMDRKZOVJRQHRE-MGPQQGTHSA-N 2 0 242.407 1.844 20 0 BDADRP C[NH2+]CCCN1CCOC[C@@H]1CC1CC1 ZINC000923553941 644495016 /nfs/dbraw/zinc/49/50/16/644495016.db2.gz LPVMZICGAOYOGE-LBPRGKRZSA-N 2 0 212.337 1.097 20 0 BDADRP [NH3+]CC[C@H]1CN(C[C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000923554546 644497243 /nfs/dbraw/zinc/49/72/43/644497243.db2.gz JHESGKNMVDVSOZ-OLZOCXBDSA-N 2 0 245.370 1.549 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCN1CCCCC1 ZINC000089145770 644535948 /nfs/dbraw/zinc/53/59/48/644535948.db2.gz KCCMDXPJTQCAIL-ZIAGYGMSSA-N 2 0 239.407 1.579 20 0 BDADRP C(C[N@@H+]1CCO[C@@H]2CCCC[C@H]21)[C@@H]1CC[NH2+]C1 ZINC000089749316 644565374 /nfs/dbraw/zinc/56/53/74/644565374.db2.gz GBAISRMOYHXHFL-BFHYXJOUSA-N 2 0 238.375 1.629 20 0 BDADRP CCn1ccnc1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000091848030 644642252 /nfs/dbraw/zinc/64/22/52/644642252.db2.gz BXQOPFLAJYTSHY-UHFFFAOYSA-N 2 0 236.363 1.605 20 0 BDADRP CN(C[C@@H]1CCC[N@@H+]1C)c1cc[nH+]c(CO)c1 ZINC000092633795 644664021 /nfs/dbraw/zinc/66/40/21/644664021.db2.gz WJTPHXOOUKSGQZ-ZDUSSCGKSA-N 2 0 235.331 1.104 20 0 BDADRP Cc1ccc(O)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)n1 ZINC000094339206 644716639 /nfs/dbraw/zinc/71/66/39/644716639.db2.gz MCKSRWCYJAFQIG-MWLCHTKSSA-N 2 0 235.331 1.265 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000249931070 644745378 /nfs/dbraw/zinc/74/53/78/644745378.db2.gz DSDYVOROMGPDCT-RWMBFGLXSA-N 2 0 227.396 1.434 20 0 BDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)OCCC[NH+](C)C ZINC000792202743 644791656 /nfs/dbraw/zinc/79/16/56/644791656.db2.gz FSKCZRQZXQRZNL-TXEJJXNPSA-N 2 0 242.363 1.354 20 0 BDADRP C[C@](O)(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000251129462 644794960 /nfs/dbraw/zinc/79/49/60/644794960.db2.gz TXBDVMGWAHOMOO-YDHLFZDLSA-N 2 0 246.354 1.045 20 0 BDADRP CN1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000796749580 644813332 /nfs/dbraw/zinc/81/33/32/644813332.db2.gz YSEKCVPOPPREMU-REWJHTLYSA-N 2 0 237.391 1.153 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000251784759 644821355 /nfs/dbraw/zinc/82/13/55/644821355.db2.gz UHOFJGCSUPNFGM-FRRDWIJNSA-N 2 0 236.363 1.379 20 0 BDADRP C[C@@H]1CCC[C@@](CN[C@H]2CC[NH2+]C2)([NH+](C)C)C1 ZINC000251954368 644832467 /nfs/dbraw/zinc/83/24/67/644832467.db2.gz XBXNEEQNHSHKOY-HZSPNIEDSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)CC[NH2+]1 ZINC000415140427 644885310 /nfs/dbraw/zinc/88/53/10/644885310.db2.gz NJCHDMBXKWQWLR-HZSPNIEDSA-N 2 0 237.391 1.202 20 0 BDADRP CC(C)(C)[NH2+]CCN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000415132102 644886237 /nfs/dbraw/zinc/88/62/37/644886237.db2.gz AEOWETWPFCNWCG-ZDUSSCGKSA-N 2 0 225.380 1.202 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[C@]2(CCC[NH2+]2)C1 ZINC000415137368 644886734 /nfs/dbraw/zinc/88/67/34/644886734.db2.gz IVKQXHRNSUNENM-QWHCGFSZSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@H]1OCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000252739640 644896613 /nfs/dbraw/zinc/89/66/13/644896613.db2.gz FYQIRSCWRDWBLW-XYTAGDGMSA-N 2 0 224.348 1.379 20 0 BDADRP C[C@@H]1OCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000252739638 644897303 /nfs/dbraw/zinc/89/73/03/644897303.db2.gz FYQIRSCWRDWBLW-OFIBSPLFSA-N 2 0 224.348 1.379 20 0 BDADRP C[C@]1(F)C[NH2+]CCN(CCCCCCC[NH3+])C1 ZINC000843387928 645285785 /nfs/dbraw/zinc/28/57/85/645285785.db2.gz PYUFWJMKNAUAJS-ZDUSSCGKSA-N 2 0 245.386 1.529 20 0 BDADRP C[C@@H]1[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)CO[C@H]1C ZINC000926566882 645287575 /nfs/dbraw/zinc/28/75/75/645287575.db2.gz GGYMALMQRRVNEN-MJVIPROJSA-N 2 0 245.326 1.847 20 0 BDADRP Cn1ccnc1[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000843389748 645289053 /nfs/dbraw/zinc/28/90/53/645289053.db2.gz QHQPPPPIPXAHRJ-QWHCGFSZSA-N 2 0 248.374 1.209 20 0 BDADRP C[C@@H]1COC[C@H]1[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000926572098 645291022 /nfs/dbraw/zinc/29/10/22/645291022.db2.gz FXQNMAJGHSUQNE-JHJVBQTASA-N 2 0 226.364 1.343 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1ccoc1 ZINC000926703232 645370446 /nfs/dbraw/zinc/37/04/46/645370446.db2.gz RNDOXYSLAFBKAC-PBWFPOADSA-N 2 0 234.343 1.752 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000927025366 645525792 /nfs/dbraw/zinc/52/57/92/645525792.db2.gz HLVBAMDFTROEQL-IHRRRGAJSA-N 2 0 242.407 1.857 20 0 BDADRP CCC[C@@H](O)CC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000927028217 645525915 /nfs/dbraw/zinc/52/59/15/645525915.db2.gz PXTLCDLCVISCIG-CQSZACIVSA-N 2 0 242.407 2.000 20 0 BDADRP C[NH+](C)CCCC[NH2+]Cc1ccnc(F)c1 ZINC000858115425 645671305 /nfs/dbraw/zinc/67/13/05/645671305.db2.gz FGAZCMWXZUZCQK-UHFFFAOYSA-N 2 0 225.311 1.652 20 0 BDADRP C[C@@H]1CC[C@H](C[NH3+])N(C[C@@H]2C[C@H](F)C[NH2+]2)[C@@H]1C ZINC000883445974 645851473 /nfs/dbraw/zinc/85/14/73/645851473.db2.gz RNKDYIZHCCGGBD-NAWOPXAZSA-N 2 0 243.370 1.134 20 0 BDADRP Cn1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cn1 ZINC000925500835 645943275 /nfs/dbraw/zinc/94/32/75/645943275.db2.gz GTLZMKUXTLJNCK-VXGBXAGGSA-N 2 0 236.363 1.416 20 0 BDADRP C[NH+](C)CCCN[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000924538492 646058208 /nfs/dbraw/zinc/05/82/08/646058208.db2.gz BAECESZWQYRNFE-ZIAGYGMSSA-N 2 0 239.407 1.545 20 0 BDADRP COc1cccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1C ZINC000929311359 646072983 /nfs/dbraw/zinc/07/29/83/646072983.db2.gz CCXFSBYYXDJVST-ZIAGYGMSSA-N 2 0 246.354 1.655 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCCCO1 ZINC000924802758 646110768 /nfs/dbraw/zinc/11/07/68/646110768.db2.gz KMLXEMRKPXTVKD-RBKKPWLPSA-N 2 0 238.375 1.485 20 0 BDADRP COC[C@@H](C[N@@H+]1CC[C@H](C[NH+](C)C)C1)C(C)C ZINC000929637668 646216586 /nfs/dbraw/zinc/21/65/86/646216586.db2.gz MOFNVUCVBUSZMZ-ZIAGYGMSSA-N 2 0 242.407 1.789 20 0 BDADRP CC[C@H](CO)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000929717940 646271226 /nfs/dbraw/zinc/27/12/26/646271226.db2.gz BCZANSIRNVVVQJ-ZIAGYGMSSA-N 2 0 240.391 1.565 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925492004 646298720 /nfs/dbraw/zinc/29/87/20/646298720.db2.gz GRIMCTLLCQBIOV-CYBMUJFWSA-N 3 0 237.391 1.202 20 0 BDADRP C[C@H](CN[C@H]1C[C@H]([NH3+])CC(C)(C)C1)[NH+](C)C ZINC000925490381 646299418 /nfs/dbraw/zinc/29/94/18/646299418.db2.gz BCOWEVCLYDDMBI-WOPDTQHZSA-N 2 0 227.396 1.432 20 0 BDADRP C[C@H]([NH3+])[C@H](N[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000925488931 646300124 /nfs/dbraw/zinc/30/01/24/646300124.db2.gz WJRCIFVWELWFGT-UBHSHLNASA-N 2 0 233.359 1.369 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H]2CCCO2)C1 ZINC000925506279 646305812 /nfs/dbraw/zinc/30/58/12/646305812.db2.gz YPEBMWJGZCCREE-UTUOFQBUSA-N 2 0 226.364 1.661 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOC2CC2)C[C@H]1C ZINC000929783029 646309119 /nfs/dbraw/zinc/30/91/19/646309119.db2.gz YHRRUZBNEYEBEK-CHWSQXEVSA-N 2 0 240.391 1.970 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1NCC[NH+]1CCCCC1 ZINC000925534674 646318817 /nfs/dbraw/zinc/31/88/17/646318817.db2.gz YJRZNBCIXLAGSD-LBPRGKRZSA-N 2 0 225.380 1.202 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1NCC[NH+]1CCCCC1 ZINC000925534673 646319413 /nfs/dbraw/zinc/31/94/13/646319413.db2.gz YJRZNBCIXLAGSD-GFCCVEGCSA-N 2 0 225.380 1.202 20 0 BDADRP CC[C@@H](CCO)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925542339 646325365 /nfs/dbraw/zinc/32/53/65/646325365.db2.gz ZORYLZKUMJXGIS-RYUDHWBXSA-N 2 0 226.364 1.269 20 0 BDADRP C[C@H]1CCC[N@H+](CCN[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925548493 646327365 /nfs/dbraw/zinc/32/73/65/646327365.db2.gz CITWUOKPZTVIDN-QWHCGFSZSA-N 2 0 239.407 1.448 20 0 BDADRP COCCCC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925551622 646329091 /nfs/dbraw/zinc/32/90/91/646329091.db2.gz CMKIZHYIQBZMRP-VXGBXAGGSA-N 2 0 228.380 1.909 20 0 BDADRP CC[N@H+](CCN[C@@H]1CC[NH2+]C1(C)C)C(C)C ZINC000925555388 646331293 /nfs/dbraw/zinc/33/12/93/646331293.db2.gz FDXKQVLILAMJAV-GFCCVEGCSA-N 2 0 227.396 1.447 20 0 BDADRP CC[C@H](O)CC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925560881 646336499 /nfs/dbraw/zinc/33/64/99/646336499.db2.gz OJUBEGGZPOCAND-SRVKXCTJSA-N 2 0 228.380 1.643 20 0 BDADRP C[C@@H](O)CC(C)(C)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925571772 646339521 /nfs/dbraw/zinc/33/95/21/646339521.db2.gz ITRGDXXHDYXDAR-VXGBXAGGSA-N 2 0 240.391 1.658 20 0 BDADRP C[C@H](CN[C@@H]1CC[NH2+]C1(C)C)[NH+]1CCCCC1 ZINC000925613538 646362067 /nfs/dbraw/zinc/36/20/67/646362067.db2.gz RYPXOVYMYZTQRT-CHWSQXEVSA-N 2 0 239.407 1.591 20 0 BDADRP COCCC1(C[NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925618961 646367620 /nfs/dbraw/zinc/36/76/20/646367620.db2.gz XNNKUDWSHJTBQD-GFCCVEGCSA-N 2 0 238.375 1.677 20 0 BDADRP CC[C@H](C[C@@H](C)CO)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925623134 646369085 /nfs/dbraw/zinc/36/90/85/646369085.db2.gz OZAJMSRBSQZHKT-UPJWGTAASA-N 2 0 240.391 1.658 20 0 BDADRP Cc1cc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)ncn1 ZINC000925625803 646372570 /nfs/dbraw/zinc/37/25/70/646372570.db2.gz LDHCQAZBUVRLMN-NWDGAFQWSA-N 2 0 248.374 1.781 20 0 BDADRP COC[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)OC ZINC000925631540 646376413 /nfs/dbraw/zinc/37/64/13/646376413.db2.gz HYYOWOBVTBCHIT-UTUOFQBUSA-N 2 0 244.379 1.143 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925631692 646376678 /nfs/dbraw/zinc/37/66/78/646376678.db2.gz WMLSYMUFGWCGCE-QWHCGFSZSA-N 2 0 240.391 1.659 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925633696 646377972 /nfs/dbraw/zinc/37/79/72/646377972.db2.gz GKFGSSHJHRXNMT-YFKTTZPYSA-N 2 0 228.380 1.641 20 0 BDADRP C/C=C/C[C@H](CO)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925640736 646382586 /nfs/dbraw/zinc/38/25/86/646382586.db2.gz IYLLXTNIYBSQMI-GDNMSKEOSA-N 2 0 240.391 1.809 20 0 BDADRP CC1(C)C[C@@H]([NH2+]CC[C@@H]2CCOC2)C[C@@H]([NH3+])C1 ZINC000925637872 646382777 /nfs/dbraw/zinc/38/27/77/646382777.db2.gz UHVYBIJJKRVPGU-UPJWGTAASA-N 2 0 240.391 1.909 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+][C@@H]2CCCOC2)C12CCC2 ZINC000925669510 646389230 /nfs/dbraw/zinc/38/92/30/646389230.db2.gz UWHFAFOSQSTVLJ-VWYCJHECSA-N 2 0 210.321 1.025 20 0 BDADRP COCC1(C[NH2+][C@@H]2CC[NH2+]C23CCC3)CCC1 ZINC000925662693 646398758 /nfs/dbraw/zinc/39/87/58/646398758.db2.gz LUBGRVOFQIDBFQ-GFCCVEGCSA-N 2 0 238.375 1.677 20 0 BDADRP C[C@H](O)[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925671700 646401343 /nfs/dbraw/zinc/40/13/43/646401343.db2.gz DTKHJFGMAARYMN-MMWGEVLESA-N 2 0 214.353 1.251 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925680557 646408610 /nfs/dbraw/zinc/40/86/10/646408610.db2.gz RSAIZYYYHVWKPD-OLZOCXBDSA-N 2 0 240.391 1.659 20 0 BDADRP C[C@H](CCO)CC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925682090 646408654 /nfs/dbraw/zinc/40/86/54/646408654.db2.gz ZYXHZWSEUWBBSA-XQQFMLRXSA-N 2 0 242.407 1.891 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925681525 646409834 /nfs/dbraw/zinc/40/98/34/646409834.db2.gz ZQAWEEZGKOKWKF-MNOVXSKESA-N 2 0 214.353 1.268 20 0 BDADRP COCC[C@H](C)C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925686934 646412658 /nfs/dbraw/zinc/41/26/58/646412658.db2.gz XQEAVQGJTCPWBC-TUAOUCFPSA-N 2 0 226.364 1.519 20 0 BDADRP COCC[C@@H](C)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925685485 646413458 /nfs/dbraw/zinc/41/34/58/646413458.db2.gz JNPILRJMYWIXCA-GHMZBOCLSA-N 2 0 214.353 1.389 20 0 BDADRP C1CCC2(C1)[NH2+]CC[C@H]2N[C@H]1CCC[NH2+]C1 ZINC000925688208 646414887 /nfs/dbraw/zinc/41/48/87/646414887.db2.gz BMIXJMKZSBBCBQ-NWDGAFQWSA-N 2 0 223.364 1.003 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]C[C@@H]2CCCC[C@H]2O)C12CCC2 ZINC000925687512 646415472 /nfs/dbraw/zinc/41/54/72/646415472.db2.gz KPXRNNGFPZOIHF-RNJOBUHISA-N 2 0 238.375 1.397 20 0 BDADRP C[C@H]([NH3+])[C@H](NC[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000925690192 646416036 /nfs/dbraw/zinc/41/60/36/646416036.db2.gz GDIFWBFXCZVNSZ-YDHLFZDLSA-N 2 0 247.386 1.664 20 0 BDADRP COCC1CCC([NH2+][C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925691159 646416496 /nfs/dbraw/zinc/41/64/96/646416496.db2.gz NHDVZLONXVJOOH-BPCQOVAHSA-N 2 0 240.391 1.922 20 0 BDADRP CC1(C)[C@H](NC[C@@H]2CCC[NH2+]2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925689484 646416748 /nfs/dbraw/zinc/41/67/48/646416748.db2.gz AMWHSKUYRQZVTO-QNWHQSFQSA-N 2 0 237.391 1.105 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@H]2CC[NH2+]C2(C)C)[C@@H](C)O1 ZINC000925694843 646419765 /nfs/dbraw/zinc/41/97/65/646419765.db2.gz GFHYQVKRPYLURQ-KKOKHZNYSA-N 2 0 226.364 1.530 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C1 ZINC000925694163 646420039 /nfs/dbraw/zinc/42/00/39/646420039.db2.gz QYVXLPNCPMGFBR-YNEHKIRRSA-N 3 0 239.407 1.482 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H]2CCC[C@H]2O)C1 ZINC000925696832 646421864 /nfs/dbraw/zinc/42/18/64/646421864.db2.gz UUIKXQUKMAGWAQ-DDHJBXDOSA-N 2 0 226.364 1.395 20 0 BDADRP C[NH2+]CCN[C@@H](CCC[NH3+])c1ccccc1 ZINC000925696338 646421998 /nfs/dbraw/zinc/42/19/98/646421998.db2.gz ZNFWDHICODYVMD-ZDUSSCGKSA-N 2 0 221.348 1.276 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1NC[C@]1(C)CCC[NH2+]C1 ZINC000925698059 646423781 /nfs/dbraw/zinc/42/37/81/646423781.db2.gz HTXUJXVCJWHCKN-YNEHKIRRSA-N 2 0 225.380 1.106 20 0 BDADRP C[C@@H](C[NH3+])N[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925701293 646424964 /nfs/dbraw/zinc/42/49/64/646424964.db2.gz WZMHMTMOULVQSJ-WCFLWFBJSA-N 2 0 225.380 1.092 20 0 BDADRP C[NH2+][C@@H](C)CN[C@H](CCC[NH3+])c1ccccc1 ZINC000925701312 646425439 /nfs/dbraw/zinc/42/54/39/646425439.db2.gz XKBIQYXKOFVQFH-GXTWGEPZSA-N 2 0 235.375 1.664 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2CC[NH2+]C23CCCC3)CC[NH2+]1 ZINC000925701088 646425490 /nfs/dbraw/zinc/42/54/90/646425490.db2.gz VNUMRVAWGIADBP-UPJWGTAASA-N 2 0 237.391 1.391 20 0 BDADRP C1[C@H](N[C@@H]2CC[NH2+]C23CCC3)C12CC[NH2+]CC2 ZINC000925702519 646427362 /nfs/dbraw/zinc/42/73/62/646427362.db2.gz BABPBEPYHHKPQR-NEPJUHHUSA-N 2 0 235.375 1.003 20 0 BDADRP C1[C@@H](N[C@@H]2CC[NH2+]C23CCC3)C12CC[NH2+]CC2 ZINC000925702522 646427755 /nfs/dbraw/zinc/42/77/55/646427755.db2.gz BABPBEPYHHKPQR-VXGBXAGGSA-N 2 0 235.375 1.003 20 0 BDADRP CC1(C)C[C@@H]([NH2+][C@H]2CC[C@@H](C[NH3+])C2)C[C@@H]([NH3+])C1 ZINC000925703745 646428829 /nfs/dbraw/zinc/42/88/29/646428829.db2.gz FLNBBROWZLGLOD-NDBYEHHHSA-N 3 0 239.407 1.609 20 0 BDADRP C[C@@H]1NCCC[C@H]1[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000925706676 646431022 /nfs/dbraw/zinc/43/10/22/646431022.db2.gz KGQLQIADNDXELL-YNEHKIRRSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@H]([NH3+])[C@H](C)N[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925707552 646432473 /nfs/dbraw/zinc/43/24/73/646432473.db2.gz LEUYJSNFGSQHTN-AUZPSNTRSA-N 2 0 239.407 1.480 20 0 BDADRP CC(C)C[N@H+](C)CCCN[C@H]1CCC[NH2+][C@@H]1C ZINC000925709358 646434661 /nfs/dbraw/zinc/43/46/61/646434661.db2.gz IPUSJOQDIYVWIV-KGLIPLIRSA-N 2 0 241.423 1.694 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925713353 646439265 /nfs/dbraw/zinc/43/92/65/646439265.db2.gz XQELUTAIZOIEOM-WDEREUQCSA-N 3 0 213.369 1.234 20 0 BDADRP C[C@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@@H]1C[C@H]3CC[C@@H]1O3)[NH2+]2 ZINC000925713479 646439288 /nfs/dbraw/zinc/43/92/88/646439288.db2.gz UBDFJPNXWQSJNQ-MDRVADGTSA-N 2 0 236.359 1.425 20 0 BDADRP CC[C@H]([NH3+])CN[C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925713693 646439325 /nfs/dbraw/zinc/43/93/25/646439325.db2.gz XXXRXPDWDJJXLF-DRZSPHRISA-N 2 0 221.348 1.402 20 0 BDADRP C[C@@H]1CC[C@H](N[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C[NH2+]1 ZINC000925717063 646440457 /nfs/dbraw/zinc/44/04/57/646440457.db2.gz IJDZANJIEYRFSL-FVCCEPFGSA-N 2 0 239.407 1.623 20 0 BDADRP C[C@@H]1CC[C@H](N[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)C[NH2+]1 ZINC000925717065 646441042 /nfs/dbraw/zinc/44/10/42/646441042.db2.gz IJDZANJIEYRFSL-MROQNXINSA-N 2 0 239.407 1.623 20 0 BDADRP C[NH2+]C[C@H](C)N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925717388 646441053 /nfs/dbraw/zinc/44/10/53/646441053.db2.gz TYQVZHKQMOULDM-GARJFASQSA-N 2 0 213.369 1.090 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1(C)C)C1CC[NH2+]CC1 ZINC000925727052 646450642 /nfs/dbraw/zinc/45/06/42/646450642.db2.gz CBEPKXSQUYYCQR-ZYHUDNBSSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@H](N)[C@H]([NH2+]CC1CC([NH3+])C1)c1ccccc1 ZINC000925732634 646455939 /nfs/dbraw/zinc/45/59/39/646455939.db2.gz ZHEBSTXFQFSEGY-PSPOIRCVSA-N 2 0 233.359 1.402 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@@H](C)c2cnccc2N)C1 ZINC000925736363 646459665 /nfs/dbraw/zinc/45/96/65/646459665.db2.gz MKCHSFJZZZIFBB-DCAQKATOSA-N 2 0 235.331 1.570 20 0 BDADRP CC(C)([NH3+])CCN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925736256 646459798 /nfs/dbraw/zinc/45/97/98/646459798.db2.gz DTNXGOXABCRLOM-LLVKDONJSA-N 2 0 225.380 1.378 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@H](C)C[C@@H](C)[NH3+])C1 ZINC000925736063 646460226 /nfs/dbraw/zinc/46/02/26/646460226.db2.gz KVQOJACLCLJAAU-GWOFURMSSA-N 2 0 200.326 1.127 20 0 BDADRP C[N@@H+]1CC[C@H](NCCC(C)(C)[NH3+])[C@H]2CCC[C@@H]21 ZINC000925738049 646460256 /nfs/dbraw/zinc/46/02/56/646460256.db2.gz MGXQLYKTMJONFF-AGIUHOORSA-N 2 0 239.407 1.576 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925738544 646460926 /nfs/dbraw/zinc/46/09/26/646460926.db2.gz YNYVCXNOTQRORW-AVGNSLFASA-N 2 0 238.375 1.676 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CCC(C)(C)[NH3+] ZINC000925737483 646461119 /nfs/dbraw/zinc/46/11/19/646461119.db2.gz JEACQLGPUQKUHH-JTQLQIEISA-N 3 0 201.358 1.221 20 0 BDADRP CC[C@H]([NH2+]CCC(C)(C)[NH3+])[C@@H]1CCOC1 ZINC000925740308 646462347 /nfs/dbraw/zinc/46/23/47/646462347.db2.gz IEVQYLXMJUMNSX-MNOVXSKESA-N 2 0 214.353 1.519 20 0 BDADRP CCC1([NH3+])CCN([C@@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925758230 646465125 /nfs/dbraw/zinc/46/51/25/646465125.db2.gz AVDZUVQGSLOPKH-NWDGAFQWSA-N 2 0 237.391 1.460 20 0 BDADRP CCC1([NH3+])CCN([C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000925761521 646466932 /nfs/dbraw/zinc/46/69/32/646466932.db2.gz WMDIWJXLUSWGHH-NWDGAFQWSA-N 2 0 225.380 1.330 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@]12CCCO2)[C@H]1CC[NH2+]C1 ZINC000925773008 646472520 /nfs/dbraw/zinc/47/25/20/646472520.db2.gz LQSHVNLQRQNXJE-FQUUOJAGSA-N 2 0 238.375 1.676 20 0 BDADRP CC1(C)CO[C@H](CC[NH2+][C@H]2CCC[C@@H]2[NH3+])C1 ZINC000925773615 646473758 /nfs/dbraw/zinc/47/37/58/646473758.db2.gz FDBVSHSTNFIABL-WOPDTQHZSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC[C@H]1CC(C)(C)CO1 ZINC000925775720 646476145 /nfs/dbraw/zinc/47/61/45/646476145.db2.gz RMTHSKKWLKTYBY-SRVKXCTJSA-N 2 0 228.380 1.907 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925783505 646479894 /nfs/dbraw/zinc/47/98/94/646479894.db2.gz CXWPHBIWQJXSCT-VOAKCMCISA-N 3 0 239.407 1.338 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000925786857 646482432 /nfs/dbraw/zinc/48/24/32/646482432.db2.gz WEOXQJSRRAMEKO-IXOXFDKPSA-N 2 0 208.349 1.620 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)C1CCOCC1 ZINC000925792236 646484921 /nfs/dbraw/zinc/48/49/21/646484921.db2.gz VHQYMHQDVSIWCH-MDZLAQPJSA-N 2 0 226.364 1.247 20 0 BDADRP COC[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)C(C)C ZINC000925798666 646485884 /nfs/dbraw/zinc/48/58/84/646485884.db2.gz MEVNLDAGSXOUKU-UPJWGTAASA-N 2 0 228.380 1.493 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)C1CCOCC1 ZINC000925792237 646485902 /nfs/dbraw/zinc/48/59/02/646485902.db2.gz VHQYMHQDVSIWCH-WZRBSPASSA-N 2 0 226.364 1.247 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000925800284 646486551 /nfs/dbraw/zinc/48/65/51/646486551.db2.gz YHIATTDEMVERIU-SYQHCUMBSA-N 3 0 239.407 1.304 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000925798370 646486753 /nfs/dbraw/zinc/48/67/53/646486753.db2.gz WHQUBJLHBFAPHB-XJFOESAGSA-N 2 0 239.407 1.352 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925797726 646486979 /nfs/dbraw/zinc/48/69/79/646486979.db2.gz VLFWQGMWNOJRAW-FDYHWXHSSA-N 3 0 237.391 1.092 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000925802773 646487841 /nfs/dbraw/zinc/48/78/41/646487841.db2.gz RANKEYSKYDNOEA-YVECIDJPSA-N 2 0 208.349 1.892 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000925803593 646488049 /nfs/dbraw/zinc/48/80/49/646488049.db2.gz RSIAEFZHSAYOGB-YIYPIFLZSA-N 3 0 239.407 1.482 20 0 BDADRP C(CCN[C@H]1CC[NH2+]C1)CCC1CC[NH2+]CC1 ZINC000925807476 646489465 /nfs/dbraw/zinc/48/94/65/646489465.db2.gz JXFDXKWSPARLHN-AWEZNQCLSA-N 2 0 239.407 1.498 20 0 BDADRP C[C@@H]([NH2+]Cc1ccc2c(c1)ncn2C)C1C[NH2+]C1 ZINC000925811712 646490006 /nfs/dbraw/zinc/49/00/06/646490006.db2.gz JOXQPYOVPBIJIV-SNVBAGLBSA-N 2 0 244.342 1.271 20 0 BDADRP CN(C)c1cc[nH+]c(CN[C@H]2CC[NH2+]C2(C)C)c1 ZINC000925815714 646492541 /nfs/dbraw/zinc/49/25/41/646492541.db2.gz YSVVLMAVYHMHOG-ZDUSSCGKSA-N 2 0 248.374 1.378 20 0 BDADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1COC[C@@H]1C ZINC000925826282 646497875 /nfs/dbraw/zinc/49/78/75/646497875.db2.gz GTXMBKQEKMAWJK-CHIMOYNISA-N 2 0 249.358 1.534 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000925829069 646499600 /nfs/dbraw/zinc/49/96/00/646499600.db2.gz AUOCEYZAJOOUKP-BJJPWKGXSA-N 2 0 236.359 1.295 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)C12CCC2 ZINC000925830630 646500881 /nfs/dbraw/zinc/50/08/81/646500881.db2.gz JTLJIVAVSHTYLE-VJTDZRGJSA-N 2 0 248.370 1.437 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)C1 ZINC000925832198 646501801 /nfs/dbraw/zinc/50/18/01/646501801.db2.gz RHLJOSNBAREITP-NDKCEZKHSA-N 2 0 236.359 1.437 20 0 BDADRP COC[C@@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)C(C)C ZINC000925874159 646523551 /nfs/dbraw/zinc/52/35/51/646523551.db2.gz OUHCTNFYGZGFIB-XQQFMLRXSA-N 2 0 228.380 1.635 20 0 BDADRP Cn1nc(C2CC2)cc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000925873617 646523774 /nfs/dbraw/zinc/52/37/74/646523774.db2.gz KKRALQMEBASLAY-DGCLKSJQSA-N 2 0 248.374 1.515 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCOC1 ZINC000925875026 646525966 /nfs/dbraw/zinc/52/59/66/646525966.db2.gz BRPJVQKFHLVEAJ-VOAKCMCISA-N 2 0 226.364 1.519 20 0 BDADRP CC1(C)[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)[C@H]2CCO[C@@H]21 ZINC000925876455 646527344 /nfs/dbraw/zinc/52/73/44/646527344.db2.gz YMICIVKYWWBVEJ-MLGHIDQZSA-N 2 0 238.375 1.517 20 0 BDADRP Cc1ccc(NCC[NH2+][C@H](C)C[C@@H](C)[NH3+])nc1 ZINC000925877043 646527491 /nfs/dbraw/zinc/52/74/91/646527491.db2.gz DNDYQAUNYHJACX-VXGBXAGGSA-N 2 0 236.363 1.517 20 0 BDADRP Cc1ccc(NCC[NH2+][C@H]2CCC[C@@H]2C[NH3+])nc1 ZINC000925877045 646528124 /nfs/dbraw/zinc/52/81/24/646528124.db2.gz DNKGVHCNNKYVMA-OLZOCXBDSA-N 2 0 248.374 1.519 20 0 BDADRP Cc1nccnc1[C@@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925883322 646532667 /nfs/dbraw/zinc/53/26/67/646532667.db2.gz VCQOHIVWRMXEMH-UTUOFQBUSA-N 2 0 234.347 1.563 20 0 BDADRP C[C@H](C[NH2+]C1[C@@H](C)COC[C@@H]1C)C[NH+](C)C ZINC000926472590 646651723 /nfs/dbraw/zinc/65/17/23/646651723.db2.gz KUPUODIMCMEJFZ-WOPDTQHZSA-N 2 0 228.380 1.445 20 0 BDADRP C[C@@H](C[NH2+][C@@H]1[C@@H](C)COC[C@H]1C)C[NH+](C)C ZINC000926472591 646652443 /nfs/dbraw/zinc/65/24/43/646652443.db2.gz KUPUODIMCMEJFZ-WUHRBBMRSA-N 2 0 228.380 1.445 20 0 BDADRP C[C@H](C[NH2+]C1[C@H](C)COC[C@H]1C)C[NH+](C)C ZINC000926472588 646652505 /nfs/dbraw/zinc/65/25/05/646652505.db2.gz KUPUODIMCMEJFZ-IJLUTSLNSA-N 2 0 228.380 1.445 20 0 BDADRP CCC[C@H](C(=O)OCC)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723711969 711535711 /nfs/dbraw/zinc/53/57/11/711535711.db2.gz BWEPGFUHDIDAEV-NWDGAFQWSA-N 2 0 242.363 1.389 20 0 BDADRP C[C@@H]1[C@H](C)SCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000132492891 711960034 /nfs/dbraw/zinc/96/00/34/711960034.db2.gz VDWSSWFMUQSKJH-KXNHARMFSA-N 2 0 228.405 1.940 20 0 BDADRP COC1CC(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)C1 ZINC000703162657 712067193 /nfs/dbraw/zinc/06/71/93/712067193.db2.gz JLYQLRHLENLJKP-WNYYMSAVSA-N 2 0 212.337 1.081 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCSC1)[C@H]1CCC[NH2+]1 ZINC000704776206 712116148 /nfs/dbraw/zinc/11/61/48/712116148.db2.gz OEPWEZRZIDGXDS-SDDRHHMPSA-N 2 0 228.405 1.860 20 0 BDADRP CC1(C)CO[C@H](C[N@@H+]2CC[C@H](CC[NH3+])C2)C1 ZINC000708340094 712189508 /nfs/dbraw/zinc/18/95/08/712189508.db2.gz XYDXLFVEEQRMGS-RYUDHWBXSA-N 2 0 226.364 1.472 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@H]1CC(C)(C)CO1 ZINC000708337481 712188956 /nfs/dbraw/zinc/18/89/56/712188956.db2.gz NMBQETBYSUJPRI-GRYCIOLGSA-N 2 0 226.364 1.613 20 0 BDADRP CC(C)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709796426 712227157 /nfs/dbraw/zinc/22/71/57/712227157.db2.gz WSGJTCHDZYFEGV-RKDXNWHRSA-N 2 0 224.270 1.711 20 0 BDADRP C[C@@H](CO)C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000709847170 712229151 /nfs/dbraw/zinc/22/91/51/712229151.db2.gz BPRRHCTZCYBNFO-LLVKDONJSA-N 2 0 214.353 1.031 20 0 BDADRP CC(C)C[C@@H](C)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710664627 712265424 /nfs/dbraw/zinc/26/54/24/712265424.db2.gz LRACAHWONPBJKM-CYBMUJFWSA-N 2 0 242.407 1.810 20 0 BDADRP CC[C@@H]1COC[C@@H]1[NH2+]C[C@H]1CC[N@H+](CC)C1 ZINC000711106651 712280673 /nfs/dbraw/zinc/28/06/73/712280673.db2.gz GULXXJZBNJRJTB-UPJWGTAASA-N 2 0 226.364 1.343 20 0 BDADRP FC[C@H]1CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000711451268 712302551 /nfs/dbraw/zinc/30/25/51/712302551.db2.gz BWOXMBLFPUYTTO-VXGBXAGGSA-N 2 0 214.328 1.668 20 0 BDADRP CCn1cc(CC[N@@H+]2CC[C@H](CC[NH3+])C2)cn1 ZINC000923479749 712334334 /nfs/dbraw/zinc/33/43/34/712334334.db2.gz SKZNWWAMERBUKB-LBPRGKRZSA-N 2 0 236.363 1.116 20 0 BDADRP CC(C)C[NH+]1CCN(C[C@H]([NH3+])CC(F)F)CC1 ZINC000379795725 712402824 /nfs/dbraw/zinc/40/28/24/712402824.db2.gz CJZVMKHTEIUUAC-LLVKDONJSA-N 2 0 249.349 1.243 20 0 BDADRP C=C/C=C/CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000713735582 712470384 /nfs/dbraw/zinc/47/03/84/712470384.db2.gz PRGDNEPXVZCERM-GFSGRHGLSA-N 2 0 206.333 1.803 20 0 BDADRP CC1(C)CCC[C@@H](C[N@@H+]2CC[C@@H](C[NH3+])C2)O1 ZINC000714375669 712484377 /nfs/dbraw/zinc/48/43/77/712484377.db2.gz VWSGQDFUIHRVGP-RYUDHWBXSA-N 2 0 226.364 1.615 20 0 BDADRP FC1(F)[C@H]2C[N@H+](CC[C@@H]3CCC[NH2+]C3)C[C@H]21 ZINC000715463683 712519559 /nfs/dbraw/zinc/51/95/59/712519559.db2.gz XVRMHXMXZGLLJW-GARJFASQSA-N 2 0 230.302 1.573 20 0 BDADRP COC1CC[NH+](CCCCCC[NH3+])CC1 ZINC000037266515 712564828 /nfs/dbraw/zinc/56/48/28/712564828.db2.gz YYMHDLYYBJUPLU-UHFFFAOYSA-N 2 0 214.353 1.616 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000716841457 712578074 /nfs/dbraw/zinc/57/80/74/712578074.db2.gz DZQKAWIXSJKMGC-WOPDTQHZSA-N 2 0 226.364 1.397 20 0 BDADRP COCC(C)(C)CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000718792954 712783935 /nfs/dbraw/zinc/78/39/35/712783935.db2.gz SXCOTAPDVUZDNB-NEPJUHHUSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCc2ccns2)C1 ZINC000719845565 712825559 /nfs/dbraw/zinc/82/55/59/712825559.db2.gz JPFRHGWSZWGILN-MNOVXSKESA-N 2 0 239.388 1.745 20 0 BDADRP C[C@H]1CC[N@H+](C[C@@H]2CCCC[NH2+]C2)CCO1 ZINC000720415091 712840993 /nfs/dbraw/zinc/84/09/93/712840993.db2.gz KODATGCFFGSPCO-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP C[N@H+](Cc1ccon1)C1CCC([NH3+])CC1 ZINC000381469735 710640810 /nfs/dbraw/zinc/64/08/10/710640810.db2.gz NVOWHSRZEJJASG-UHFFFAOYSA-N 2 0 209.293 1.376 20 0 BDADRP CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000723096085 710725206 /nfs/dbraw/zinc/72/52/06/710725206.db2.gz DZYHWRWDXZDNMS-HZSPNIEDSA-N 2 0 237.391 1.012 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@@H]1CCCN[C@H]1C ZINC000396712763 710907031 /nfs/dbraw/zinc/90/70/31/710907031.db2.gz RRTSVNZABPCEEH-TUAOUCFPSA-N 2 0 214.353 1.268 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H]2CCCN[C@H]2C)CC1 ZINC000396577110 710907399 /nfs/dbraw/zinc/90/73/99/710907399.db2.gz CZEJCHWSRXMVQJ-JSGCOSHPSA-N 2 0 239.407 1.448 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC3(CCC3)C2)C1 ZINC000380585828 712901875 /nfs/dbraw/zinc/90/18/75/712901875.db2.gz ZXKPAMFVRBUYLH-NWDGAFQWSA-N 2 0 208.349 1.990 20 0 BDADRP C([C@H]1CCC[NH2+]1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000382528377 710972777 /nfs/dbraw/zinc/97/27/77/710972777.db2.gz BMLMZRSUJVJQHC-ZIAGYGMSSA-N 2 0 237.391 1.299 20 0 BDADRP CC[C@H]1[C@@H](C)CC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000384165379 710989934 /nfs/dbraw/zinc/98/99/34/710989934.db2.gz RBZOEXFVHLZMBI-RNJOBUHISA-N 2 0 210.365 1.962 20 0 BDADRP C[C@H](C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)C(C)(C)C ZINC000385289643 711009901 /nfs/dbraw/zinc/00/99/01/711009901.db2.gz BYAQDMJEVUZNJM-UTUOFQBUSA-N 2 0 210.365 1.962 20 0 BDADRP CC[C@@H]1C[C@H]1C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000387782535 711046682 /nfs/dbraw/zinc/04/66/82/711046682.db2.gz DPWJFKOLPHFGTK-LZRJYULZSA-N 2 0 220.360 1.619 20 0 BDADRP C[C@@H]([NH2+]CCC(C)(C)[NH3+])[C@@H]1CCCOC1 ZINC000389067435 711071754 /nfs/dbraw/zinc/07/17/54/711071754.db2.gz LPHOXTKSQICXAZ-GHMZBOCLSA-N 2 0 214.353 1.519 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CSC[C@H]2C)C1 ZINC000389630398 711083656 /nfs/dbraw/zinc/08/36/56/711083656.db2.gz LZWCANVUMKNPJG-IJLUTSLNSA-N 2 0 228.405 1.669 20 0 BDADRP COC[C@@H]1CCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000390501836 711122107 /nfs/dbraw/zinc/12/21/07/711122107.db2.gz VAPKPSRFLNVXPC-WOPDTQHZSA-N 2 0 212.337 1.225 20 0 BDADRP OCCCCCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000392910033 711153905 /nfs/dbraw/zinc/15/39/05/711153905.db2.gz WSHQLPIMOVBIHW-YHQUGGNUSA-N 2 0 238.375 1.125 20 0 BDADRP CO[C@@H]1CCC[C@@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000392948809 711154376 /nfs/dbraw/zinc/15/43/76/711154376.db2.gz VHZKVGDBFIWYMG-QWHCGFSZSA-N 2 0 224.348 1.405 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1NCc1ccc2c(c1)OCO2 ZINC000396631165 711360707 /nfs/dbraw/zinc/36/07/07/711360707.db2.gz JGCDFHVDQXSRKQ-JQWIXIFHSA-N 2 0 248.326 1.645 20 0 BDADRP C[C@@H]([NH2+]CCCCCCO)[C@@H]1CCCC[NH2+]1 ZINC000395159044 711203084 /nfs/dbraw/zinc/20/30/84/711203084.db2.gz PSNFGWYXKJVIAF-OLZOCXBDSA-N 2 0 228.380 1.659 20 0 BDADRP CC(C)[NH+](CCN[C@@H]1CCC[NH2+][C@H]1C)C(C)C ZINC000396583175 711353565 /nfs/dbraw/zinc/35/35/65/711353565.db2.gz GGMMJNGJQHLWQU-UONOGXRCSA-N 2 0 241.423 1.835 20 0 BDADRP CC(C)C[C@H](CN[C@H]1CCC[NH2+][C@H]1C)[NH+](C)C ZINC000396621603 711361776 /nfs/dbraw/zinc/36/17/76/711361776.db2.gz VACIYSUPMUVEGZ-MJBXVCDLSA-N 2 0 241.423 1.693 20 0 BDADRP COC[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)C1CC1 ZINC000398140073 711403302 /nfs/dbraw/zinc/40/33/02/711403302.db2.gz LZABNYJWGIQBGC-HNNXBMFYSA-N 2 0 248.370 1.702 20 0 BDADRP OCCCCCC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000381236595 710611254 /nfs/dbraw/zinc/61/12/54/710611254.db2.gz KWYXUZWEGULQDO-QWHCGFSZSA-N 2 0 226.364 1.080 20 0 BDADRP CCOCCCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000388356947 711058738 /nfs/dbraw/zinc/05/87/38/711058738.db2.gz BHSCUMPLMTVXBI-MEBFFEOJSA-N 2 0 238.375 1.389 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]Cc2cc[nH]c(=O)c2)CC[N@@H+]1C ZINC000392645029 711150892 /nfs/dbraw/zinc/15/08/92/711150892.db2.gz RADFWXWGXKPCIK-PWSUYJOCSA-N 2 0 235.331 1.360 20 0 BDADRP C[NH+]1CCC(O)(C[NH2+]CC2(C)CCCC2)CC1 ZINC000397561987 711386884 /nfs/dbraw/zinc/38/68/84/711386884.db2.gz AZVDNRNOLFBONH-UHFFFAOYSA-N 2 0 240.391 1.613 20 0 BDADRP CC(C)([NH3+])CC[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000723644063 711529567 /nfs/dbraw/zinc/52/95/67/711529567.db2.gz AKVDQHJFTLFMQJ-FRRDWIJNSA-N 2 0 240.391 1.909 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](Cc2cnc(Cl)s2)C1 ZINC000723704950 711535552 /nfs/dbraw/zinc/53/55/52/711535552.db2.gz MSFKPBCFAZVLBZ-QMMMGPOBSA-N 2 0 245.779 1.967 20 0 BDADRP Cc1ccncc1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723713219 711535987 /nfs/dbraw/zinc/53/59/87/711535987.db2.gz UYJIFKQLNFJNCL-GFCCVEGCSA-N 2 0 219.332 1.561 20 0 BDADRP C1=CCC(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000724204869 711570405 /nfs/dbraw/zinc/57/04/05/711570405.db2.gz JBFNVPLUYSCBKN-BTFPBAQTSA-N 2 0 232.371 1.929 20 0 BDADRP CCC(O)(CC)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000383333631 711587090 /nfs/dbraw/zinc/58/70/90/711587090.db2.gz QQHUTJQXSDSCHJ-OBPIAQAESA-N 2 0 238.375 1.124 20 0 BDADRP CNC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000848984184 711587675 /nfs/dbraw/zinc/58/76/75/711587675.db2.gz WNUONQPLRJDYPH-LBPRGKRZSA-N 2 0 240.395 1.631 20 0 BDADRP C[C@H](C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C1CC1 ZINC000382219636 711614345 /nfs/dbraw/zinc/61/43/45/711614345.db2.gz MRIVEJOQHHJSEQ-SKQGFCNXSA-N 2 0 220.360 1.619 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H]2CC23CC(O)C3)CC1 ZINC000724993185 711642281 /nfs/dbraw/zinc/64/22/81/711642281.db2.gz PISWAMRXZJPHSH-ROKHWSDSSA-N 2 0 238.375 1.364 20 0 BDADRP C[C@@H](CCC1CC1)[NH2+]CCN1CCC([NH3+])CC1 ZINC000398058170 711708545 /nfs/dbraw/zinc/70/85/45/711708545.db2.gz ZXSUNPOBCUKIAQ-LBPRGKRZSA-N 2 0 239.407 1.578 20 0 BDADRP CC1(C)C[C@@H]([NH2+]CC2CC[NH2+]CC2)C[C@@H]([NH3+])C1 ZINC000925689162 711709444 /nfs/dbraw/zinc/70/94/44/711709444.db2.gz HDRRUVAPZNUYFX-OLZOCXBDSA-N 3 0 239.407 1.482 20 0 BDADRP C[NH2+]C[C@H](C)N[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925718046 711713566 /nfs/dbraw/zinc/71/35/66/711713566.db2.gz VTJJZAXPFLFTDM-UBHSHLNASA-N 2 0 239.407 1.352 20 0 BDADRP CCC[C@H](C(=O)OCC)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723711971 711730714 /nfs/dbraw/zinc/73/07/14/711730714.db2.gz BWEPGFUHDIDAEV-VXGBXAGGSA-N 2 0 242.363 1.389 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000925787460 711750963 /nfs/dbraw/zinc/75/09/63/711750963.db2.gz SVWJLVMGCAHNJS-YVECIDJPSA-N 2 0 225.380 1.092 20 0 BDADRP CC[NH+]1CCC(CC[NH2+]Cc2cnc[nH]2)CC1 ZINC000894298399 711767684 /nfs/dbraw/zinc/76/76/84/711767684.db2.gz KKTFZFKJIPSXBG-UHFFFAOYSA-N 2 0 236.363 1.621 20 0 BDADRP C[C@@H](CC[NH2+]CC1CC[NH+](C)CC1)[S@@](C)=O ZINC000229791981 711839058 /nfs/dbraw/zinc/83/90/58/711839058.db2.gz SVRDIPADRTZMNL-MEDUHNTESA-N 2 0 246.420 1.075 20 0 BDADRP COC[C@H](C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1)C(C)C ZINC000721911482 711917607 /nfs/dbraw/zinc/91/76/07/711917607.db2.gz JNJLPEZPBFLJIM-AVGNSLFASA-N 2 0 228.380 1.574 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H](COC)C(C)C)CC[C@@H]1[NH3+] ZINC000721913815 711918389 /nfs/dbraw/zinc/91/83/89/711918389.db2.gz QDNNNIHELPZHOJ-RDBSUJKOSA-N 2 0 242.407 1.964 20 0 BDADRP COC[C@@H](C[N@@H+]1CCC[C@@H](C[NH3+])C1)C(C)C ZINC000721916468 711918746 /nfs/dbraw/zinc/91/87/46/711918746.db2.gz XMKTYMMDOILBNG-QWHCGFSZSA-N 2 0 228.380 1.576 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000721919449 711920188 /nfs/dbraw/zinc/92/01/88/711920188.db2.gz LUKKIOZBLHVARG-FRRDWIJNSA-N 2 0 224.348 1.097 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC2(O)CCCC2)CC[N@@H+]1C ZINC000156301144 711938981 /nfs/dbraw/zinc/93/89/81/711938981.db2.gz VQDYKPIHOHQMRG-NWDGAFQWSA-N 2 0 226.364 1.364 20 0 BDADRP C[C@@H](CC[NH2+][C@H]1C[C@@H](C)O[C@@H]1C)[NH+](C)C ZINC000700468962 711993427 /nfs/dbraw/zinc/99/34/27/711993427.db2.gz IUQJKAFLXGQRMC-QCNOEVLYSA-N 2 0 214.353 1.482 20 0 BDADRP C[C@H](CC[NH2+][C@@H]1CCSC1)[NH+](C)C ZINC000700508759 711995406 /nfs/dbraw/zinc/99/54/06/711995406.db2.gz YLWHJXMYYYZGDK-NXEZZACHSA-N 2 0 202.367 1.422 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2ccncc2Cl)C1 ZINC000700640065 712001266 /nfs/dbraw/zinc/00/12/66/712001266.db2.gz MCMPZTCREJDWLI-SNVBAGLBSA-N 2 0 239.750 1.906 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000700788962 712005417 /nfs/dbraw/zinc/00/54/17/712005417.db2.gz SKVTVEUBXNAZTB-BFHYXJOUSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1COC[C@H]1[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000700809701 712006310 /nfs/dbraw/zinc/00/63/10/712006310.db2.gz RPTXOZKLEDBXLQ-JHJVBQTASA-N 2 0 226.364 1.343 20 0 BDADRP C[N@@H+]1C[C@@H]2C[NH+](CCC3(O)CCC3)C[C@]2(C)C1 ZINC000702339613 712047886 /nfs/dbraw/zinc/04/78/86/712047886.db2.gz OORBRZFKNJFWEQ-OLZOCXBDSA-N 2 0 238.375 1.175 20 0 BDADRP FC1(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CCC1 ZINC000702479990 712054312 /nfs/dbraw/zinc/05/43/12/712054312.db2.gz RAGXACHCIJHMSZ-OBPIAQAESA-N 2 0 238.350 1.855 20 0 BDADRP CN1CCC[C@H]1C[NH2+]C1CCC(C)(O)CC1 ZINC000703010767 712064722 /nfs/dbraw/zinc/06/47/22/712064722.db2.gz RKJQSRJEHLAJBL-CPCZMJQVSA-N 2 0 226.364 1.364 20 0 BDADRP C[C@H]1C[C@H](C[N@H+](C)CCCF)CC[NH2+]1 ZINC000703161288 712067305 /nfs/dbraw/zinc/06/73/05/712067305.db2.gz AJTFIUYKWMEGCW-WDEREUQCSA-N 2 0 202.317 1.666 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH+](CC2CC2)CC2CC2)C1 ZINC000703440442 712075095 /nfs/dbraw/zinc/07/50/95/712075095.db2.gz WLOQQBFNDUCJLI-BETUJISGSA-N 2 0 208.349 1.846 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000703437088 712076377 /nfs/dbraw/zinc/07/63/77/712076377.db2.gz JSHUGPFMLNZMOU-WAAGHKOSSA-N 2 0 236.281 1.998 20 0 BDADRP CCSCC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703579829 712079649 /nfs/dbraw/zinc/07/96/49/712079649.db2.gz BIZIGFQPNSJMEU-WDEREUQCSA-N 2 0 214.378 1.281 20 0 BDADRP COCCC1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000704186286 712100417 /nfs/dbraw/zinc/10/04/17/712100417.db2.gz FUBOLMLSBGZOTM-KGLIPLIRSA-N 2 0 240.391 1.862 20 0 BDADRP CC[N@@H+]1CC[C@H](CNCc2cncc(OC)c2)C1 ZINC000704207242 712101418 /nfs/dbraw/zinc/10/14/18/712101418.db2.gz LYWHKQPAKXKMIT-GFCCVEGCSA-N 2 0 249.358 1.522 20 0 BDADRP C(C[C@H]1CCSC1)[NH2+]C1CC[NH2+]CC1 ZINC000704870453 712119676 /nfs/dbraw/zinc/11/96/76/712119676.db2.gz JWKLANGYNGMIRX-JTQLQIEISA-N 2 0 214.378 1.471 20 0 BDADRP Cc1ncccc1C[NH2+]CCC(C)(C)[NH3+] ZINC000705527775 712132806 /nfs/dbraw/zinc/13/28/06/712132806.db2.gz MMZJSWXCYPEBPS-UHFFFAOYSA-N 2 0 207.321 1.607 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C1CCC(C)(O)CC1 ZINC000705830798 712136574 /nfs/dbraw/zinc/13/65/74/712136574.db2.gz NETDNZLCNAOYQR-PNESKVBLSA-N 2 0 228.380 1.787 20 0 BDADRP C[N@H+](CCn1cccn1)C[C@@H]1CCCC[NH2+]C1 ZINC000707494287 712172315 /nfs/dbraw/zinc/17/23/15/712172315.db2.gz FIPDHIADFULEFQ-CYBMUJFWSA-N 2 0 236.363 1.205 20 0 BDADRP Cc1cnc(C[N@@H+](C)C2CCC([NH3+])CC2)nc1 ZINC000707937299 712174044 /nfs/dbraw/zinc/17/40/44/712174044.db2.gz LSRDFBUMCHEGLI-UHFFFAOYSA-N 2 0 234.347 1.487 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](C[C@@H]2CC(C)(C)CO2)CC1 ZINC000708329063 712187412 /nfs/dbraw/zinc/18/74/12/712187412.db2.gz ASSNHXIPPSKXHE-AAEUAGOBSA-N 2 0 240.391 1.861 20 0 BDADRP C[N@H+](C[C@H]1CC(C)(C)CO1)C1CC([NH3+])C1 ZINC000708324128 712187417 /nfs/dbraw/zinc/18/74/17/712187417.db2.gz RQPCXYCEYAKGHI-VQXHTEKXSA-N 2 0 212.337 1.223 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC000708333195 712188108 /nfs/dbraw/zinc/18/81/08/712188108.db2.gz UTOVGSAJNCNORB-RYUDHWBXSA-N 2 0 226.364 1.343 20 0 BDADRP CC1(C)CO[C@@H](C[N@@H+]2CCC[C@H](CC[NH3+])C2)C1 ZINC000708334267 712188513 /nfs/dbraw/zinc/18/85/13/712188513.db2.gz YONPXMBQMGMQHN-CHWSQXEVSA-N 2 0 240.391 1.862 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)CC[C@@H]1[NH3+] ZINC000708332122 712188528 /nfs/dbraw/zinc/18/85/28/712188528.db2.gz PHLCUMQOWMGDJD-UPJWGTAASA-N 2 0 240.391 1.861 20 0 BDADRP CC1(C)CO[C@H](C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000708347562 712190242 /nfs/dbraw/zinc/19/02/42/712190242.db2.gz JQQPAVHQDURORB-GXTWGEPZSA-N 2 0 238.375 1.487 20 0 BDADRP [NH3+][C@H]1CCCCCN(C[C@@H](O)c2ccccc2)C1 ZINC000708998154 712205377 /nfs/dbraw/zinc/20/53/77/712205377.db2.gz LMIMTCGQOFSZJM-LSDHHAIUSA-N 2 0 248.370 1.923 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)C1 ZINC000709034167 712205739 /nfs/dbraw/zinc/20/57/39/712205739.db2.gz JLYQLRHLENLJKP-YFKTTZPYSA-N 2 0 212.337 1.081 20 0 BDADRP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000709412942 712221356 /nfs/dbraw/zinc/22/13/56/712221356.db2.gz ACEBDPJWVSWLFL-IZGVIRRGSA-N 2 0 246.354 1.593 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1CCN(C3CC3)C1)[NH2+]2 ZINC000709487734 712222664 /nfs/dbraw/zinc/22/26/64/712222664.db2.gz BRFSBNGTNKGYDP-OGMFBOKVSA-N 2 0 249.402 1.342 20 0 BDADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CCCC1)C2 ZINC000709821032 712228670 /nfs/dbraw/zinc/22/86/70/712228670.db2.gz DLIKXLZCTIXVJO-XQQFMLRXSA-N 2 0 208.349 1.988 20 0 BDADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CCOCC1)C2 ZINC000709826725 712228899 /nfs/dbraw/zinc/22/88/99/712228899.db2.gz NBRWCKGBLYUFEO-XQQFMLRXSA-N 2 0 224.348 1.225 20 0 BDADRP CC[C@H](O)C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000709842062 712229397 /nfs/dbraw/zinc/22/93/97/712229397.db2.gz ITWJFTNELQGKPR-NSHDSACASA-N 2 0 214.353 1.173 20 0 BDADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCc1cccnc1)C2 ZINC000709835650 712229409 /nfs/dbraw/zinc/22/94/09/712229409.db2.gz JOFHPMDEXWPECA-IHRRRGAJSA-N 2 0 231.343 1.436 20 0 BDADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCC1CC1)C2 ZINC000709862379 712230102 /nfs/dbraw/zinc/23/01/02/712230102.db2.gz NCQGKIHULRUCMY-AVGNSLFASA-N 2 0 208.349 1.988 20 0 BDADRP C[N@H+](CCCCCC[NH3+])[C@H]1CCCCNC1=O ZINC000710748394 712255869 /nfs/dbraw/zinc/25/58/69/712255869.db2.gz BOODWBHAZZQNIK-LBPRGKRZSA-N 2 0 241.379 1.106 20 0 BDADRP C[N@H+](CCCCCC[NH3+])CCN1CCCC1=O ZINC000710834769 712257963 /nfs/dbraw/zinc/25/79/63/712257963.db2.gz QMJDNFZJJISUDQ-UHFFFAOYSA-N 2 0 241.379 1.060 20 0 BDADRP C[NH+](C)CC1(O)CC[NH+](C2CCCC2)CC1 ZINC000710642833 712264421 /nfs/dbraw/zinc/26/44/21/712264421.db2.gz URBUJKLPVYDHHX-UHFFFAOYSA-N 2 0 226.364 1.318 20 0 BDADRP FC[C@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000711443565 712300969 /nfs/dbraw/zinc/30/09/69/712300969.db2.gz MWGHIYCOWGNNQZ-GHMZBOCLSA-N 2 0 200.301 1.277 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)CC[NH2+]1 ZINC000711591289 712311023 /nfs/dbraw/zinc/31/10/23/712311023.db2.gz WARXMVKJDXSELS-XQHKEYJVSA-N 2 0 240.416 1.669 20 0 BDADRP C1=C[C@H](C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000711683775 712317192 /nfs/dbraw/zinc/31/71/92/712317192.db2.gz FLBRLSZSNZBIJV-BSCCGWMCSA-N 2 0 218.344 1.539 20 0 BDADRP CC[C@@H]1C[N@H+](CCOC2CC2)CC[C@@H]1[NH3+] ZINC000711731114 712320070 /nfs/dbraw/zinc/32/00/70/712320070.db2.gz MAERFDKLNGBMDP-PWSUYJOCSA-N 2 0 212.337 1.225 20 0 BDADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCOC1CC1 ZINC000711751857 712324888 /nfs/dbraw/zinc/32/48/88/712324888.db2.gz JCMOVTFTCFLNCN-LBPRGKRZSA-N 2 0 214.353 1.471 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC000923480414 712335101 /nfs/dbraw/zinc/33/51/01/712335101.db2.gz YCODKYOBUKBWMR-FRRDWIJNSA-N 2 0 224.348 1.084 20 0 BDADRP [NH3+]C[C@H]1CCC[N@H+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000712438263 712429745 /nfs/dbraw/zinc/42/97/45/712429745.db2.gz NURBPEZGRWNXPL-OLZOCXBDSA-N 2 0 238.375 1.759 20 0 BDADRP COCC(C)(C)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000712622704 712438851 /nfs/dbraw/zinc/43/88/51/712438851.db2.gz YLNOUYDEARIPOA-LLVKDONJSA-N 2 0 214.353 1.330 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2CC[NH2+]CCC23CCC3)C1 ZINC000713126311 712453466 /nfs/dbraw/zinc/45/34/66/712453466.db2.gz SVLICPJLQYHJGO-BETUJISGSA-N 2 0 238.375 1.629 20 0 BDADRP FC(F)(F)OCCCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000713399375 712459154 /nfs/dbraw/zinc/45/91/54/712459154.db2.gz YGRFLVHOPHBGCT-DTORHVGOSA-N 2 0 238.253 1.064 20 0 BDADRP CC1(C)CC[C@@H](C[N@@H+]2CCC[C@@H](C[NH3+])C2)OC1 ZINC000713586217 712466279 /nfs/dbraw/zinc/46/62/79/712466279.db2.gz MEPMXBGKDQRULX-STQMWFEESA-N 2 0 240.391 1.862 20 0 BDADRP C[C@H](O)C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714409461 712485749 /nfs/dbraw/zinc/48/57/49/712485749.db2.gz HDLUDAYPPIMIIR-JTQLQIEISA-N 2 0 214.353 1.064 20 0 BDADRP COC[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000714444208 712489034 /nfs/dbraw/zinc/48/90/34/712489034.db2.gz RWACTOFEIOCEDQ-FQUUOJAGSA-N 2 0 238.375 1.628 20 0 BDADRP C[NH+]1CCC(C[NH2+]Cc2ccc[nH]c2=O)CC1 ZINC000714984063 712503186 /nfs/dbraw/zinc/50/31/86/712503186.db2.gz XIFFHIAFVYYPTB-UHFFFAOYSA-N 2 0 235.331 1.219 20 0 BDADRP CCN1CCC[C@@H]1C[NH2+]C[C@H]1COC(C)(C)O1 ZINC000715116328 712510636 /nfs/dbraw/zinc/51/06/36/712510636.db2.gz VDHFYOVLZMQDJF-NEPJUHHUSA-N 2 0 242.363 1.212 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)C2CC2)C1 ZINC000715291464 712515643 /nfs/dbraw/zinc/51/56/43/712515643.db2.gz IJTUSWLADMRTCI-UPJWGTAASA-N 2 0 226.364 1.220 20 0 BDADRP FC1(F)[C@H]2C[N@H+](C[C@@H]3CCC[NH2+]C3)C[C@H]21 ZINC000715406573 712517060 /nfs/dbraw/zinc/51/70/60/712517060.db2.gz BDXZZDIXEPNLCH-BBBLOLIVSA-N 2 0 216.275 1.183 20 0 BDADRP CC1([NH3+])CC[NH+](C[C@H]2CC[C@H](C3CC3)O2)CC1 ZINC000715401203 712517087 /nfs/dbraw/zinc/51/70/87/712517087.db2.gz HRUDDNGPERWPLC-CHWSQXEVSA-N 2 0 238.375 1.757 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@H]2CC[C@@H](C3CC3)O2)C1 ZINC000715434014 712518678 /nfs/dbraw/zinc/51/86/78/712518678.db2.gz FGBUQCDKJKGHSQ-BNOWGMLFSA-N 2 0 238.375 1.615 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](C[C@@H]2CC[C@@H](C3CC3)O2)C1 ZINC000715503834 712523750 /nfs/dbraw/zinc/52/37/50/712523750.db2.gz RJWDVNGCTHMBIL-DRZSPHRISA-N 2 0 224.348 1.225 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](C[C@@H]2CCC3(CCC3)CO2)C1 ZINC000716295173 712553853 /nfs/dbraw/zinc/55/38/53/712553853.db2.gz RAQYSWSGQQRRSG-OLZOCXBDSA-N 2 0 238.375 1.616 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](C[C@@H]2CCC3(CCC3)CO2)C1 ZINC000716295177 712553935 /nfs/dbraw/zinc/55/39/35/712553935.db2.gz RAQYSWSGQQRRSG-STQMWFEESA-N 2 0 238.375 1.616 20 0 BDADRP C[N@H+](CCCF)CC[C@@H]1CCC[NH2+]C1 ZINC000716807237 712575678 /nfs/dbraw/zinc/57/56/78/712575678.db2.gz XUNIGYMMFGNNOZ-NSHDSACASA-N 2 0 202.317 1.668 20 0 BDADRP C[C@@H]1C[C@@H](C)[N@H+](CCOC(F)F)C[C@@H]1C[NH3+] ZINC000852752478 712612959 /nfs/dbraw/zinc/61/29/59/712612959.db2.gz ZZRCWDWOYSCHFP-BBBLOLIVSA-N 2 0 236.306 1.531 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]CC2CC=CC2)C12CCC2 ZINC000717388543 712653252 /nfs/dbraw/zinc/65/32/52/712653252.db2.gz QSBIWAVUNWZINM-NWDGAFQWSA-N 2 0 206.333 1.812 20 0 BDADRP O[C@H](C[NH2+]C1(C2CC2)CCC1)C[NH+]1CCCC1 ZINC000717820336 712681524 /nfs/dbraw/zinc/68/15/24/712681524.db2.gz UYWBCCUXFLTRJD-CYBMUJFWSA-N 2 0 238.375 1.365 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](CCOc2ccccc2)C1 ZINC000042896926 712720738 /nfs/dbraw/zinc/72/07/38/712720738.db2.gz CLRDXJPHMYNTOX-GFCCVEGCSA-N 2 0 220.316 1.346 20 0 BDADRP CO[C@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000717957833 712735216 /nfs/dbraw/zinc/73/52/16/712735216.db2.gz UBUYTTRFZILUEK-WOPDTQHZSA-N 2 0 212.337 1.225 20 0 BDADRP CC[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H](C)CO1 ZINC000717970604 712735944 /nfs/dbraw/zinc/73/59/44/712735944.db2.gz PJDNLNZBPHGHRR-RNJOBUHISA-N 2 0 226.364 1.613 20 0 BDADRP C[C@H]1[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@@H+]1C ZINC000719620164 712817351 /nfs/dbraw/zinc/81/73/51/712817351.db2.gz VEWMMZWNKFZYGI-WYTNZGFTSA-N 2 0 237.391 1.294 20 0 BDADRP C[C@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)CCO1 ZINC000719784585 712824447 /nfs/dbraw/zinc/82/44/47/712824447.db2.gz YEFMIQMVZKJQRC-RYUDHWBXSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@@H](C)CC2)CC[NH2+]1 ZINC000719777927 712824992 /nfs/dbraw/zinc/82/49/92/712824992.db2.gz JLMSCVWTCPEXBS-FRRDWIJNSA-N 2 0 226.364 1.485 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H](O)c2ccccc2)C1 ZINC000250822026 712834886 /nfs/dbraw/zinc/83/48/86/712834886.db2.gz TVUGDJLBDSZHKU-RDBSUJKOSA-N 2 0 234.343 1.580 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C1 ZINC000720820799 712868968 /nfs/dbraw/zinc/86/89/68/712868968.db2.gz NJRIGZFFLYHBJZ-RFGFWPKPSA-N 2 0 238.375 1.615 20 0 BDADRP [NH3+]C1CC[NH+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)CC1 ZINC000720849276 712870699 /nfs/dbraw/zinc/87/06/99/712870699.db2.gz YOTWFJHHOAXJJZ-WXHSDQCUSA-N 2 0 224.348 1.367 20 0 BDADRP CCC[C@@H](C)C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720855632 712870738 /nfs/dbraw/zinc/87/07/38/712870738.db2.gz MHFKZJWGEHEHKU-FRRDWIJNSA-N 2 0 210.365 1.964 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C1 ZINC000720875881 712872448 /nfs/dbraw/zinc/87/24/48/712872448.db2.gz XYCXBTIIDFWRDX-HPCHECBXSA-N 2 0 238.375 1.613 20 0 BDADRP C[N@H+](C[C@@H]1C[C@H]2CCC[C@H]2O1)C1CC[NH2+]CC1 ZINC000720872627 712873173 /nfs/dbraw/zinc/87/31/73/712873173.db2.gz ORNRAGISTPNVOA-KWCYVHTRSA-N 2 0 238.375 1.628 20 0 BDADRP C[N@H+](C[C@@H]1C[C@H]2CCC[C@H]2O1)C1CC([NH3+])C1 ZINC000720893101 712874435 /nfs/dbraw/zinc/87/44/35/712874435.db2.gz JFUIWZHVHJGWAE-RXDNMWQFSA-N 2 0 224.348 1.366 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H]2OC)CC1 ZINC000384006799 712893205 /nfs/dbraw/zinc/89/32/05/712893205.db2.gz PIKKJLBYVMCJOU-KBPBESRZSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1cnc(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c(C[NH3+])c1 ZINC001164633417 719225692 /nfs/dbraw/zinc/22/56/92/719225692.db2.gz DLRKJXDEKNQHQC-VXGBXAGGSA-N 2 0 248.374 1.378 20 0 BDADRP CCN(CC[NH+](C)C)C[C@@H]1CCC[N@H+](C)C1 ZINC001208603341 957089009 /nfs/dbraw/zinc/08/90/09/957089009.db2.gz BROIRMCBNQGKNR-CYBMUJFWSA-N 2 0 227.396 1.212 20 0 BDADRP COC1CC(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000705481737 957262868 /nfs/dbraw/zinc/26/28/68/957262868.db2.gz KRQZONJTCUDQFD-ZYGVAYEYSA-N 2 0 212.337 1.142 20 0 BDADRP C[C@H]([NH3+])c1ccc(N[C@H]2CC[N@H+](C)C2)cc1 ZINC001167278427 957622992 /nfs/dbraw/zinc/62/29/92/957622992.db2.gz KAJSGUZPDVRFKE-GWCFXTLKSA-N 2 0 219.332 1.822 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](N[C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000399037710 958488615 /nfs/dbraw/zinc/48/86/15/958488615.db2.gz OXZCZHLZYHMZTH-AGIUHOORSA-N 2 0 225.380 1.199 20 0 BDADRP [NH3+]C[C@@H]1CCCC[N@H+](CC2CCOCC2)C1 ZINC000309332704 959849788 /nfs/dbraw/zinc/84/97/88/959849788.db2.gz JDOBOKKEZNNKTQ-ZDUSSCGKSA-N 2 0 226.364 1.474 20 0 BDADRP CC[C@]1([NH2+]CC[C@@H]2CCC[N@@H+]2C)CCOC1 ZINC000393753669 959898286 /nfs/dbraw/zinc/89/82/86/959898286.db2.gz UVKDXRGBLSUQHL-STQMWFEESA-N 2 0 226.364 1.629 20 0 BDADRP CC[C@H](CCO)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925624638 960472497 /nfs/dbraw/zinc/47/24/97/960472497.db2.gz ZGOKABVNFPKLLU-QJPTWQEYSA-N 2 0 228.380 1.643 20 0 BDADRP CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]C(C)C)[NH+](C)C ZINC001268003309 960709982 /nfs/dbraw/zinc/70/99/82/960709982.db2.gz LKZKVRZFDSBBHQ-RYUDHWBXSA-N 2 0 243.395 1.077 20 0 BDADRP CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001268010509 960727563 /nfs/dbraw/zinc/72/75/63/960727563.db2.gz ORGKEJAOSICAGP-VXGBXAGGSA-N 2 0 243.395 1.079 20 0 BDADRP C[C@@]1(C[NH3+])CCCN(c2cc(N)cc[nH+]2)C1 ZINC001158674524 963899947 /nfs/dbraw/zinc/89/99/47/963899947.db2.gz XRWZVUVZCMZHNO-LBPRGKRZSA-N 2 0 220.320 1.229 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@H]2C[C@](C)(O)C2)CC1 ZINC001168297550 964394556 /nfs/dbraw/zinc/39/45/56/964394556.db2.gz CBCZKKIQMQXLJM-FLWUZPLOSA-N 2 0 226.364 1.362 20 0 BDADRP CO[C@@H](C[NH2+]CC[C@H](C)[NH+](C)C)C1CC1 ZINC000697877177 964604290 /nfs/dbraw/zinc/60/42/90/964604290.db2.gz BBNMJJUTDKYSRG-JQWIXIFHSA-N 2 0 214.353 1.341 20 0 BDADRP Cc1ccncc1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205109747 965837026 /nfs/dbraw/zinc/83/70/26/965837026.db2.gz KZDVSFCKXUQIJP-CYBMUJFWSA-N 2 0 219.332 1.703 20 0 BDADRP C[C@@H]([NH2+]C1CCSCC1)C1CC[NH2+]CC1 ZINC000400387447 965949196 /nfs/dbraw/zinc/94/91/96/965949196.db2.gz YSNYOKANUBKLSE-SNVBAGLBSA-N 2 0 228.405 1.860 20 0 BDADRP CC[C@@H]1COC[C@@H]1[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000699542213 965954110 /nfs/dbraw/zinc/95/41/10/965954110.db2.gz KUTBNTSAZNBUOH-MCIONIFRSA-N 2 0 240.391 1.733 20 0 BDADRP CCCCC[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165781350 966158056 /nfs/dbraw/zinc/15/80/56/966158056.db2.gz QJCHNVVHNDBNBF-UHFFFAOYSA-N 2 0 243.395 1.224 20 0 BDADRP C[N@H+](CC1CC[NH2+]CC1)[C@@H]1CCCC[C@@H]1N ZINC001236210347 966310833 /nfs/dbraw/zinc/31/08/33/966310833.db2.gz CDJLSRFWNFBDHS-QWHCGFSZSA-N 2 0 225.380 1.188 20 0 BDADRP CC1(CN2C[C@@H]([NH3+])CC(F)(F)C2)CC[NH2+]CC1 ZINC001206116593 968070332 /nfs/dbraw/zinc/07/03/32/968070332.db2.gz DARPCMLDBOQRNI-JTQLQIEISA-N 2 0 247.333 1.044 20 0 BDADRP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@@H](CO)C1 ZINC001207274465 968706095 /nfs/dbraw/zinc/70/60/95/968706095.db2.gz CRLQDTGRHCYXRP-GFCCVEGCSA-N 2 0 228.380 1.279 20 0 BDADRP C[C@@H]1C[C@H](O)C[N@@H+]1CC(C)(C)C[NH+](C)C ZINC001207275254 968707478 /nfs/dbraw/zinc/70/74/78/968707478.db2.gz LHSARRAOLYICAX-MNOVXSKESA-N 2 0 214.353 1.029 20 0 BDADRP C[NH+](C)C[C@@H]1CCCN1CC(C)(C)C[NH+](C)C ZINC001207287178 968716306 /nfs/dbraw/zinc/71/63/06/968716306.db2.gz YVGRPTFGGDMWOA-ZDUSSCGKSA-N 2 0 241.423 1.600 20 0 BDADRP C[NH+](C)CC(C)(C)C[N@@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001207282820 968717242 /nfs/dbraw/zinc/71/72/42/968717242.db2.gz PWOOGLCZPPYPPR-STQMWFEESA-N 2 0 240.391 1.685 20 0 BDADRP C[NH+](C)CC(C)(C)C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC001207282818 968717429 /nfs/dbraw/zinc/71/74/29/968717429.db2.gz PWOOGLCZPPYPPR-OLZOCXBDSA-N 2 0 240.391 1.685 20 0 BDADRP C[NH+]1CCC(CC[N@@H+]2CC[C@@H](F)C2)CC1 ZINC001207480183 968798430 /nfs/dbraw/zinc/79/84/30/968798430.db2.gz WIGKOYGFIDOJRI-GFCCVEGCSA-N 2 0 214.328 1.762 20 0 BDADRP C[NH+]1CCC(C)(C[N@@H+]2CCCC[C@H]2CO)CC1 ZINC001208105564 969003407 /nfs/dbraw/zinc/00/34/07/969003407.db2.gz XOWGPDLEHTZZAI-ZDUSSCGKSA-N 2 0 240.391 1.565 20 0 BDADRP CC[NH+](CC)C[C@H](O)C[NH2+]C[C@@H]1CCC[C@H]1F ZINC001253203350 969106261 /nfs/dbraw/zinc/10/62/61/969106261.db2.gz SCURGQGTKFXCCV-YNEHKIRRSA-N 2 0 246.370 1.417 20 0 BDADRP CC[NH+](CC)C[C@@H](O)C[N@H+](C)C[C@@H]1CC1(C)C ZINC001253187802 969109399 /nfs/dbraw/zinc/10/93/99/969109399.db2.gz JFHMDJFVOLZXDG-STQMWFEESA-N 2 0 242.407 1.667 20 0 BDADRP CC[NH+](CC)C[C@@H](O)C[NH2+][C@@H]1C[C@@H]2CC[C@H]1C2 ZINC001253214011 969114820 /nfs/dbraw/zinc/11/48/20/969114820.db2.gz MWIREIRGBBYFDK-ZOBORPQBSA-N 2 0 240.391 1.467 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@@H]2CO)CC1 ZINC001208592283 969148302 /nfs/dbraw/zinc/14/83/02/969148302.db2.gz HAYFGTNTKNEPQM-CYBMUJFWSA-N 2 0 226.364 1.175 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CC[C@H](O)C[C@@H]2C)CC1 ZINC001208597073 969148586 /nfs/dbraw/zinc/14/85/86/969148586.db2.gz BSOFBYNSILCIJT-JSGCOSHPSA-N 2 0 240.391 1.564 20 0 BDADRP CC[NH+]1CCC(C[N@H+](C)CCC[NH+](C)C)CC1 ZINC001208595204 969152329 /nfs/dbraw/zinc/15/23/29/969152329.db2.gz RXWGMPJKIZESAN-UHFFFAOYSA-N 3 0 241.423 1.602 20 0 BDADRP C[C@@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)C1CCCC1 ZINC001253406919 969163035 /nfs/dbraw/zinc/16/30/35/969163035.db2.gz YGMJHFBKTDURDW-YPMHNXCESA-N 2 0 242.407 1.904 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH+]2CC3(CCC3)C2)C1 ZINC001208608170 969164206 /nfs/dbraw/zinc/16/42/06/969164206.db2.gz QVWUKEDOUPNQSK-GFCCVEGCSA-N 2 0 208.349 1.814 20 0 BDADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@@H]1C=CCCC1 ZINC001253410308 969166255 /nfs/dbraw/zinc/16/62/55/969166255.db2.gz GBESWZGHKUYGTO-NEPJUHHUSA-N 2 0 226.364 1.434 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccc[nH]2)CCC[C@@H]1C[NH3+] ZINC001205992829 969219889 /nfs/dbraw/zinc/21/98/89/969219889.db2.gz GCJMMRANJXMERQ-VXGBXAGGSA-N 2 0 221.348 1.822 20 0 BDADRP CC[NH+]1CCC(n2cnc(C)c2CC[NH3+])CC1 ZINC001169224703 969491288 /nfs/dbraw/zinc/49/12/88/969491288.db2.gz LSENHLVRXSORSN-UHFFFAOYSA-N 2 0 236.363 1.350 20 0 BDADRP CCN(CC[NH+](C)C)[C@H]1CCC[N@H+](C)CC1 ZINC001254515945 969690347 /nfs/dbraw/zinc/69/03/47/969690347.db2.gz HBLXKQIZKJNZMS-ZDUSSCGKSA-N 2 0 227.396 1.354 20 0 BDADRP CN(C1CC[NH+](C)CC1)[C@H]1CCC[N@H+](C)CC1 ZINC001254517048 969694102 /nfs/dbraw/zinc/69/41/02/969694102.db2.gz RLVPCNGHUKPVOA-ZDUSSCGKSA-N 2 0 239.407 1.497 20 0 BDADRP C[N@H+](C[C@H]1CCCCO1)[C@@H]1CCC[NH+](C)CC1 ZINC001254522583 969711860 /nfs/dbraw/zinc/71/18/60/969711860.db2.gz HKIXQACJLYXNDO-ZIAGYGMSSA-N 2 0 240.391 1.972 20 0 BDADRP CSCC[N@H+](C)[C@H]1CCC[NH+](C)CC1 ZINC001254528768 969716092 /nfs/dbraw/zinc/71/60/92/969716092.db2.gz AEBBVZWFUBOMIW-NSHDSACASA-N 2 0 216.394 1.766 20 0 BDADRP CO[C@H]1CCC[N@@H+]([C@H]2CCC[NH+](C)CC2)CC1 ZINC001254525797 969717394 /nfs/dbraw/zinc/71/73/94/969717394.db2.gz MFLLZWVNNKMTPC-KBPBESRZSA-N 2 0 240.391 1.972 20 0 BDADRP C[C@@H]1C[C@@H](O)CC[N@@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254524992 969718707 /nfs/dbraw/zinc/71/87/07/969718707.db2.gz FPMQDISIXZISPW-AGIUHOORSA-N 2 0 226.364 1.316 20 0 BDADRP C[NH+](C)CCCCC[NH2+][C@H]1CCSC1 ZINC001255268210 970020922 /nfs/dbraw/zinc/02/09/22/970020922.db2.gz ARNFJHCHDDKHOU-NSHDSACASA-N 2 0 216.394 1.813 20 0 BDADRP C[N@@H+]1CCC[C@@H](Nc2cccc(C[NH3+])c2)C1 ZINC001255470688 970199668 /nfs/dbraw/zinc/19/96/68/970199668.db2.gz NSCKHWFVHCRKKK-CYBMUJFWSA-N 2 0 219.332 1.651 20 0 BDADRP C[N@@H+]1CCC[C@@H](Nc2cccnc2C[NH3+])C1 ZINC001255475330 970206310 /nfs/dbraw/zinc/20/63/10/970206310.db2.gz OLZUGERPWYUFAU-SNVBAGLBSA-N 2 0 220.320 1.046 20 0 BDADRP CCN(CC[NH+]1CCCC1)[C@H]1CCC[N@H+](C)C1 ZINC001255486462 970238725 /nfs/dbraw/zinc/23/87/25/970238725.db2.gz LPCHUIDULKVWKI-AWEZNQCLSA-N 2 0 239.407 1.498 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)CCO1 ZINC001170183358 970559426 /nfs/dbraw/zinc/55/94/26/970559426.db2.gz RBSNISWNQOXALV-ZDEQEGDKSA-N 2 0 226.364 1.804 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H](C)CO ZINC001255940712 970570685 /nfs/dbraw/zinc/57/06/85/970570685.db2.gz FRONEPMUOFOOBL-MNOVXSKESA-N 2 0 202.342 1.077 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1O ZINC001255945937 970575837 /nfs/dbraw/zinc/57/58/37/970575837.db2.gz PWVNQPVTCHGTTE-UPJWGTAASA-N 2 0 228.380 1.610 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]CC1CN(C)C1 ZINC001255949605 970584475 /nfs/dbraw/zinc/58/44/75/970584475.db2.gz ZFKFDOLJODAVKP-LBPRGKRZSA-N 2 0 227.396 1.258 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N1CC(C)([NH3+])C1 ZINC001255953612 970585399 /nfs/dbraw/zinc/58/53/99/970585399.db2.gz UQLBYQUTNOSZCI-LLVKDONJSA-N 2 0 213.369 1.140 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N(C)CCC[NH+](C)C ZINC001255954806 970589362 /nfs/dbraw/zinc/58/93/62/970589362.db2.gz IKYBWZKJEJNLPM-AWEZNQCLSA-N 2 0 243.439 1.990 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC2(COC2)C1 ZINC001255956073 970593192 /nfs/dbraw/zinc/59/31/92/970593192.db2.gz GQNBHQXRNADJIH-ZDUSSCGKSA-N 2 0 240.391 1.829 20 0 BDADRP C[N@H+](CC[C@@H]1CCOC1)C1CCC([NH3+])CC1 ZINC000400622460 970611593 /nfs/dbraw/zinc/61/15/93/970611593.db2.gz LLBRTOOQZVSZDB-PNESKVBLSA-N 2 0 226.364 1.615 20 0 BDADRP CN(CCC[NH+]1CCCC1)C1CC[NH+](C)CC1 ZINC001256207559 970715212 /nfs/dbraw/zinc/71/52/12/970715212.db2.gz MRYFHLJBZUFHKN-UHFFFAOYSA-N 2 0 239.407 1.498 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)CCO1 ZINC001173168608 975060381 /nfs/dbraw/zinc/06/03/81/975060381.db2.gz QCSREBZNIGJZRA-MELADBBJSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)OCC[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001332423415 975108010 /nfs/dbraw/zinc/10/80/10/975108010.db2.gz AZFIMGIQRLXPCD-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP CC[N@@H+]1CC[C@@H](N(C)C2CC[NH+](CC)CC2)C1 ZINC001173365640 975346168 /nfs/dbraw/zinc/34/61/68/975346168.db2.gz MFUOEZWYJILHQE-CQSZACIVSA-N 2 0 239.407 1.497 20 0 BDADRP CC[N@@H+]1CC[C@@H](N2CC[C@@H]([NH+](C)C(C)C)C2)C1 ZINC001173366587 975350749 /nfs/dbraw/zinc/35/07/49/975350749.db2.gz ARZVHZAHHIVACX-ZIAGYGMSSA-N 2 0 239.407 1.495 20 0 BDADRP COC(=O)CCCC[C@@H](C)[NH2+]C1CC([NH3+])C1 ZINC001173441896 975378063 /nfs/dbraw/zinc/37/80/63/975378063.db2.gz XVGSFUXSSDJONR-KPPDAEKUSA-N 2 0 228.336 1.188 20 0 BDADRP C[C@@H]([NH3+])CN1CC[C@H](Cc2nccs2)C1 ZINC001336277061 977614652 /nfs/dbraw/zinc/61/46/52/977614652.db2.gz OFGOWAIYPGMUJZ-NXEZZACHSA-N 2 0 225.361 1.355 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC001340062744 978963961 /nfs/dbraw/zinc/96/39/61/978963961.db2.gz HTJCZVUNIFXBAS-REWJHTLYSA-N 2 0 240.391 1.637 20 0 BDADRP CC[C@@H]1CNCC[N@@H+]1CC1(C)CC[NH2+]CC1 ZINC001235769657 979146288 /nfs/dbraw/zinc/14/62/88/979146288.db2.gz TYLKJIBAKZWQGB-GFCCVEGCSA-N 2 0 225.380 1.060 20 0 BDADRP CC[C@@H](C)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC001341459094 979405260 /nfs/dbraw/zinc/40/52/60/979405260.db2.gz WPEXPODZOZEVJK-WISYIIOYSA-N 2 0 241.379 1.007 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1CCCC[C@H]1N ZINC001236210519 979449443 /nfs/dbraw/zinc/44/94/43/979449443.db2.gz DERWOQZFCIEQQF-MJBXVCDLSA-N 2 0 239.407 1.578 20 0 BDADRP CN(CC1(F)CC[NH2+]CC1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236213760 979455513 /nfs/dbraw/zinc/45/55/13/979455513.db2.gz OPANOWHZCJCQHK-RYUDHWBXSA-N 2 0 243.370 1.280 20 0 BDADRP C[NH+]1CCC(C[NH2+]CC[C@@H]2CC2(F)F)CC1 ZINC000691615546 979474131 /nfs/dbraw/zinc/47/41/31/979474131.db2.gz LNGBIPDHZGZXCH-LLVKDONJSA-N 2 0 232.318 1.963 20 0 BDADRP CC(C)N(C[C@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC001236469366 979602564 /nfs/dbraw/zinc/60/25/64/979602564.db2.gz SONZECIFJLANGH-CHWSQXEVSA-N 2 0 225.380 1.201 20 0 BDADRP CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]C(C)C)[NH+](C)C ZINC001277986664 979671900 /nfs/dbraw/zinc/67/19/00/979671900.db2.gz BHZYKJAMAUNMIY-NWDGAFQWSA-N 2 0 243.395 1.172 20 0 BDADRP C[C@H]([NH3+])CN(C)Cc1ccc2c(c1)C[NH2+]C2 ZINC001236904942 979790270 /nfs/dbraw/zinc/79/02/70/979790270.db2.gz VGTKIOLTSWVGPP-JTQLQIEISA-N 2 0 219.332 1.069 20 0 BDADRP CCCC[C@@H](O)C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001252094535 983534733 /nfs/dbraw/zinc/53/47/33/983534733.db2.gz PQGGELZQYXSBJU-CYBMUJFWSA-N 2 0 240.391 1.565 20 0 BDADRP CCCC[C@H](O)C[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001252106625 983647103 /nfs/dbraw/zinc/64/71/03/983647103.db2.gz AAPSBAXKTYTODH-STQMWFEESA-N 2 0 228.380 1.611 20 0 BDADRP CC(C)OCC[C@@H](C)NC(=[NH2+])NCCCC[NH3+] ZINC001172438552 974796124 /nfs/dbraw/zinc/79/61/24/974796124.db2.gz TUDNUYYTJNOPBX-LLVKDONJSA-N 2 0 244.383 1.043 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH3+])N([C@H]2CCC[N@H+](C)CC2)C1 ZINC001246558406 972777414 /nfs/dbraw/zinc/77/74/14/972777414.db2.gz QBJCNHZWIHJBOG-RDBSUJKOSA-N 2 0 239.407 1.530 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](F)CC2)CC[NH2+]1 ZINC001246558997 972783371 /nfs/dbraw/zinc/78/33/71/972783371.db2.gz NOLDZASYWKXFNV-UTUOFQBUSA-N 2 0 214.328 1.951 20 0 BDADRP C[C@@H]1CC[C@H](C[NH3+])N([C@H]2CCC[N@H+](C)C2)C1 ZINC001246559568 972789145 /nfs/dbraw/zinc/78/91/45/972789145.db2.gz RYYUDJJMEARDKW-UPJWGTAASA-N 2 0 225.380 1.140 20 0 BDADRP C[C@@H]1CC[C@H](N2CCC(F)(F)[C@@H](C[NH3+])C2)C[NH2+]1 ZINC001246561673 972792113 /nfs/dbraw/zinc/79/21/13/972792113.db2.gz SABBTADPWPUBRW-VWYCJHECSA-N 2 0 247.333 1.043 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@@H+](C2CC[NH2+]CC2)CC1 ZINC001246579311 972918809 /nfs/dbraw/zinc/91/88/09/972918809.db2.gz UIDUUCCHQIRPSG-CYBMUJFWSA-N 3 0 225.380 1.189 20 0 BDADRP C[C@H]1CC[C@H](N2CCC3(CCO3)CC2)C[NH2+]1 ZINC001246832861 973127925 /nfs/dbraw/zinc/12/79/25/973127925.db2.gz CKMDFUORHBSALQ-RYUDHWBXSA-N 2 0 224.348 1.382 20 0 BDADRP [NH3+][C@]12CC[C@H]1C[N@@H+](C1CCC(F)(F)CC1)C2 ZINC001246862863 973178273 /nfs/dbraw/zinc/17/82/73/973178273.db2.gz SAZOWGWQQWLPOH-ONGXEEELSA-N 2 0 230.302 1.987 20 0 BDADRP C[C@@H](Cc1ccccn1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001256420153 970827457 /nfs/dbraw/zinc/82/74/57/970827457.db2.gz BFZRQBDBXXFPAK-MELADBBJSA-N 2 0 245.370 1.506 20 0 BDADRP CCC[C@@H](CO)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC001256561606 970863828 /nfs/dbraw/zinc/86/38/28/970863828.db2.gz AYSMSQSMURTDIO-ZDUSSCGKSA-N 2 0 242.407 2.000 20 0 BDADRP CC(C)N(CC[NH3+])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256614415 970878860 /nfs/dbraw/zinc/87/88/60/970878860.db2.gz QXTLWJCNHHMLPZ-FUNVUKJBSA-N 2 0 225.380 1.281 20 0 BDADRP CO[C@@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001256623347 970886493 /nfs/dbraw/zinc/88/64/93/970886493.db2.gz OHWXEICBXIAGAY-ZGVCCVRISA-N 2 0 224.348 1.332 20 0 BDADRP C[C@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[C@H]1O ZINC001256624333 970891635 /nfs/dbraw/zinc/89/16/35/970891635.db2.gz WZGBSMVVZCKLGF-BEUHCMRWSA-N 2 0 238.375 1.314 20 0 BDADRP C[N@H+](CC1COC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256629186 970894535 /nfs/dbraw/zinc/89/45/35/970894535.db2.gz ZYJMVZQJQAIFLE-FUNVUKJBSA-N 2 0 224.348 1.190 20 0 BDADRP C[C@@H](Cc1ccncc1)[NH2+]CCSCC[NH3+] ZINC001256726607 970948478 /nfs/dbraw/zinc/94/84/78/970948478.db2.gz ALSSWWYUWSVLDF-NSHDSACASA-N 2 0 239.388 1.294 20 0 BDADRP OC1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256848623 970995901 /nfs/dbraw/zinc/99/59/01/970995901.db2.gz DNWNJNJVTCBQHH-UHFFFAOYSA-N 2 0 247.342 1.165 20 0 BDADRP CC(C)[NH+]1CCC([N@@H+]2CC[C@H](O)[C@@H](C)C2)CC1 ZINC001257214342 971126292 /nfs/dbraw/zinc/12/62/92/971126292.db2.gz BRYZUXBJYIHLOH-JSGCOSHPSA-N 2 0 240.391 1.562 20 0 BDADRP CC(C)[NH+]1CCC([N@@H+]2CCC[C@H](O)CC2)CC1 ZINC001257213336 971126770 /nfs/dbraw/zinc/12/67/70/971126770.db2.gz LUQPUKRIDBKQNW-AWEZNQCLSA-N 2 0 240.391 1.706 20 0 BDADRP CCCN(CCC[NH3+])C1CC[NH+](C(C)C)CC1 ZINC001257204831 971125315 /nfs/dbraw/zinc/12/53/15/971125315.db2.gz QBLKAXQRJUUAHM-UHFFFAOYSA-N 2 0 241.423 1.920 20 0 BDADRP CC(C)[NH+]1CCC(N(C)C[C@@H](C)C[NH3+])CC1 ZINC001257209986 971128361 /nfs/dbraw/zinc/12/83/61/971128361.db2.gz DSDYJSMIHFPENQ-LBPRGKRZSA-N 2 0 227.396 1.386 20 0 BDADRP CC(C)[NH+]1CCC(N2CC3(C2)C[NH+](C)C3)CC1 ZINC001257223504 971135276 /nfs/dbraw/zinc/13/52/76/971135276.db2.gz RSHPAHZHIGAPPM-UHFFFAOYSA-N 2 0 237.391 1.107 20 0 BDADRP Cc1cccnc1N[C@@H](C)[C@@H]1C[NH2+]CCO1 ZINC001170558865 971170578 /nfs/dbraw/zinc/17/05/78/971170578.db2.gz SCCZXFQYSGETII-QWRGUYRKSA-N 2 0 221.304 1.179 20 0 BDADRP C[C@H](Nc1c[nH+]cc2cc[nH]c21)[C@H]1C[NH2+]CCO1 ZINC001170568979 971202712 /nfs/dbraw/zinc/20/27/12/971202712.db2.gz QHPLMEZQTGIUIG-JOYOIKCWSA-N 2 0 246.314 1.352 20 0 BDADRP CC[C@H](C)[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)OC ZINC000405215557 971205432 /nfs/dbraw/zinc/20/54/32/971205432.db2.gz JUQZVMAZRNYVGD-RVMXOQNASA-N 2 0 240.391 1.907 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405203594 971208565 /nfs/dbraw/zinc/20/85/65/971208565.db2.gz CCJQYMPDPYDYBT-MMWGEVLESA-N 2 0 212.337 1.005 20 0 BDADRP CCC[C@H](C)[NH2+]CC1CC[NH+](C2COC2)CC1 ZINC001257314394 971209567 /nfs/dbraw/zinc/20/95/67/971209567.db2.gz LIPIKZYPLKPXLT-LBPRGKRZSA-N 2 0 240.391 1.875 20 0 BDADRP CCC[C@H](O)C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405203092 971210047 /nfs/dbraw/zinc/21/00/47/971210047.db2.gz BVCXZJCYAIZGIE-GARJFASQSA-N 2 0 212.337 1.007 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccccc2)C12CCC2 ZINC000405233776 971212686 /nfs/dbraw/zinc/21/26/86/971212686.db2.gz RWVUOORPMPTCFR-MCIONIFRSA-N 2 0 246.354 1.580 20 0 BDADRP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)[C@@H](C)O ZINC000405237100 971214205 /nfs/dbraw/zinc/21/42/05/971214205.db2.gz FGDYUZJBMLLUDK-LMLFDSFASA-N 2 0 212.337 1.005 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC2=CCCOC2)C12CCC2 ZINC000405237115 971216317 /nfs/dbraw/zinc/21/63/17/971216317.db2.gz FGLVSEMJUJDADK-VXGBXAGGSA-N 2 0 222.332 1.193 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]CCC(F)(F)F)C12CCC2 ZINC000405303348 971232794 /nfs/dbraw/zinc/23/27/94/971232794.db2.gz KUFQFNUCHCMRCJ-YUMQZZPRSA-N 2 0 222.254 1.798 20 0 BDADRP C[C@@H]1SCC[C@@H]1[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405310583 971230653 /nfs/dbraw/zinc/23/06/53/971230653.db2.gz OOWLPOCRPBWCPL-MMWGEVLESA-N 2 0 226.389 1.740 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405307995 971231925 /nfs/dbraw/zinc/23/19/25/971231925.db2.gz LSQVAOZNKUZFEX-TUAOUCFPSA-N 2 0 226.364 1.110 20 0 BDADRP CSC(C)(C)C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405312615 971232356 /nfs/dbraw/zinc/23/23/56/971232356.db2.gz PNXGGTZRSVCBND-NXEZZACHSA-N 2 0 228.405 1.988 20 0 BDADRP C[C@H](CCCO)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405344968 971237680 /nfs/dbraw/zinc/23/76/80/971237680.db2.gz KJVKMEOPSWMHDQ-OUAUKWLOSA-N 2 0 212.337 1.007 20 0 BDADRP COCCC(C)(C)C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405355303 971241946 /nfs/dbraw/zinc/24/19/46/971241946.db2.gz QNQQIOZBPJDINJ-RYUDHWBXSA-N 2 0 240.391 1.909 20 0 BDADRP CC(C)OCCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405375818 971247813 /nfs/dbraw/zinc/24/78/13/971247813.db2.gz BFNNMDWQBNRHED-NEPJUHHUSA-N 2 0 226.364 1.661 20 0 BDADRP CC(C)[N@@H+](C)C[C@@H](C)N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405352398 971245058 /nfs/dbraw/zinc/24/50/58/971245058.db2.gz OZRSJGHLGWTCGT-FRRDWIJNSA-N 2 0 239.407 1.575 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]CCCCCCO)C12CCC2 ZINC000405397610 971248382 /nfs/dbraw/zinc/24/83/82/971248382.db2.gz IZHACIZJYPLHIT-NWDGAFQWSA-N 2 0 226.364 1.399 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]CCCCCCO)C12CCC2 ZINC000405397612 971248676 /nfs/dbraw/zinc/24/86/76/971248676.db2.gz IZHACIZJYPLHIT-RYUDHWBXSA-N 2 0 226.364 1.399 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405368362 971248943 /nfs/dbraw/zinc/24/89/43/971248943.db2.gz XQZRBCIQSDMAEM-JHJVBQTASA-N 2 0 240.391 1.643 20 0 BDADRP CC[NH+](CC)CCN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405382925 971249155 /nfs/dbraw/zinc/24/91/55/971249155.db2.gz DJBXYLQDOCJBEX-NEPJUHHUSA-N 2 0 225.380 1.188 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CC[C@@H]2CCOC2)C12CCC2 ZINC000405399939 971250705 /nfs/dbraw/zinc/25/07/05/971250705.db2.gz JTVADCMATZQRCM-UTUOFQBUSA-N 2 0 224.348 1.273 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)[C@H](C)O1 ZINC000405445795 971258917 /nfs/dbraw/zinc/25/89/17/971258917.db2.gz WPJBZFWODPRMEK-WTPMCQDGSA-N 2 0 224.348 1.412 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2ccc(O)cc2)C12CCC2 ZINC000405536166 971266879 /nfs/dbraw/zinc/26/68/79/971266879.db2.gz ZQHPBMDKYQXZFB-UONOGXRCSA-N 2 0 246.354 1.794 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H]2CO[C@@H](C)[C@H]2C)CC1 ZINC000405537425 971270406 /nfs/dbraw/zinc/27/04/06/971270406.db2.gz BXHBOQKQZMAYBP-MBNYWOFBSA-N 2 0 240.391 1.874 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H]2CO[C@@H](C)[C@@H]2C)CC1 ZINC000405537431 971270723 /nfs/dbraw/zinc/27/07/23/971270723.db2.gz BXHBOQKQZMAYBP-SGMGOOAPSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]1[C@@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)CO[C@H]1C ZINC000405534847 971270733 /nfs/dbraw/zinc/27/07/33/971270733.db2.gz AVJHEEIVDWFBNR-RVMXOQNASA-N 2 0 226.364 1.341 20 0 BDADRP C[C@@H]1OC[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)[C@@H]1C ZINC000405664106 971289518 /nfs/dbraw/zinc/28/95/18/971289518.db2.gz PTRYTEXBEROOGI-FRRDWIJNSA-N 2 0 240.391 1.731 20 0 BDADRP CCCC[C@H](CC)[NH2+]CCOCC[NH3+] ZINC001257409696 971299476 /nfs/dbraw/zinc/29/94/76/971299476.db2.gz GBPZFCRPFURGCT-NSHDSACASA-N 2 0 202.342 1.520 20 0 BDADRP CC(C)[C@H]([NH3+])CO[C@H]1CCCC[NH2+]C1 ZINC001217774075 971396548 /nfs/dbraw/zinc/39/65/48/971396548.db2.gz SYKSOLUZQAUEQZ-WDEREUQCSA-N 2 0 200.326 1.128 20 0 BDADRP CC(C)[C@H]([NH3+])CO[C@@H]1CCCC[NH2+]C1 ZINC001217774074 971398279 /nfs/dbraw/zinc/39/82/79/971398279.db2.gz SYKSOLUZQAUEQZ-GHMZBOCLSA-N 2 0 200.326 1.128 20 0 BDADRP C[C@@H]1C[C@@H](OCCC[C@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001217786358 971404683 /nfs/dbraw/zinc/40/46/83/971404683.db2.gz XQGRPBJSEYQNOV-JHJVBQTASA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1OC[C@@H]1CCC[NH2+]C1 ZINC001217788934 971406836 /nfs/dbraw/zinc/40/68/36/971406836.db2.gz NRNIVDPJGDSMQJ-JHJVBQTASA-N 2 0 226.364 1.391 20 0 BDADRP CC(C)[C@H]([NH3+])CO[C@@H]1CCC[C@]12CC[NH2+]C2 ZINC001217798502 971409772 /nfs/dbraw/zinc/40/97/72/971409772.db2.gz BJRPAMLIYWSWBF-JHJVBQTASA-N 2 0 226.364 1.519 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1OCCC[C@@H]1CCC[NH2+]C1 ZINC001217791675 971411739 /nfs/dbraw/zinc/41/17/39/971411739.db2.gz ZAZHFFKQTADBOD-FRRDWIJNSA-N 2 0 226.364 1.391 20 0 BDADRP C(CCC1CC[NH2+]CC1)CO[C@H]1CC[NH2+]C1 ZINC001217823169 971416201 /nfs/dbraw/zinc/41/62/01/971416201.db2.gz ZGAURNSJQIUQBW-ZDUSSCGKSA-N 2 0 226.364 1.535 20 0 BDADRP CC(C)[NH+]1CC(OCCCC[NH+](C)C)C1 ZINC001224992332 974124036 /nfs/dbraw/zinc/12/40/36/974124036.db2.gz LOQVFWJZLCWCCB-UHFFFAOYSA-N 2 0 214.353 1.437 20 0 BDADRP C[NH+](C)CCCCOC1CC[NH+](C)CC1 ZINC001224992872 974122226 /nfs/dbraw/zinc/12/22/26/974122226.db2.gz UUKAKPHDMYAMQZ-UHFFFAOYSA-N 2 0 214.353 1.439 20 0 BDADRP CC(C)=CC[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133043052 971440398 /nfs/dbraw/zinc/44/03/98/971440398.db2.gz PYSLJLMZCXWOCV-UHFFFAOYSA-N 2 0 241.379 1.000 20 0 BDADRP [NH3+]CCCCCCCO[C@H]1CCC12C[NH2+]C2 ZINC001217847443 971443180 /nfs/dbraw/zinc/44/31/80/971443180.db2.gz GEHMEGPOHLQZSJ-LBPRGKRZSA-N 2 0 226.364 1.664 20 0 BDADRP F[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC[C@H]1CCC[NH2+]C1)[NH2+]2 ZINC001217858136 971447735 /nfs/dbraw/zinc/44/77/35/971447735.db2.gz QOJYXSQRLUHGKQ-IEECTRCBSA-N 2 0 242.338 1.234 20 0 BDADRP C1=C[C@H](OCCCCC2CC[NH2+]CC2)C[NH2+]C1 ZINC001217881763 971476661 /nfs/dbraw/zinc/47/66/61/971476661.db2.gz FGBAJHAVLYSYTF-AWEZNQCLSA-N 2 0 238.375 1.701 20 0 BDADRP CC/C=C\CC[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133297109 971494253 /nfs/dbraw/zinc/49/42/53/971494253.db2.gz GQTJCYRNFOWONZ-WAYWQWQTSA-N 2 0 241.379 1.000 20 0 BDADRP CC(C)[C@H]([NH3+])CO[C@H]1CC[C@H](C)[NH2+]C1 ZINC001217910903 971513343 /nfs/dbraw/zinc/51/33/43/971513343.db2.gz KLZMNUDNPPYRST-GARJFASQSA-N 2 0 200.326 1.127 20 0 BDADRP CC(C)[C@H]([NH3+])CO[C@@H]1C[NH2+]CCC12CC2 ZINC001217913249 971511417 /nfs/dbraw/zinc/51/14/17/971511417.db2.gz LDYUIOJCQRFQMQ-GHMZBOCLSA-N 2 0 212.337 1.128 20 0 BDADRP C(O[C@H]1C[NH2+]CCC12CC2)[C@@H]1CCC[NH2+]C1 ZINC001217910829 971512217 /nfs/dbraw/zinc/51/22/17/971512217.db2.gz BEFQLVSFXFXSQN-NEPJUHHUSA-N 2 0 224.348 1.145 20 0 BDADRP [NH3+]Cc1ccccc1O[C@H]1CCC[NH2+]C[C@@H]1F ZINC001217947548 971540881 /nfs/dbraw/zinc/54/08/81/971540881.db2.gz JEFKQAYVMNSWTN-AAEUAGOBSA-N 2 0 238.306 1.614 20 0 BDADRP C(CO[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C[C@H]1CCC[NH2+]C1 ZINC001217934812 971536255 /nfs/dbraw/zinc/53/62/55/971536255.db2.gz VKGMTJSWSNECJT-XJFOESAGSA-N 2 0 238.375 1.676 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1OCCCC1CC[NH2+]CC1 ZINC001217938714 971539713 /nfs/dbraw/zinc/53/97/13/971539713.db2.gz FVMWWEFBRNXTNE-OCCSQVGLSA-N 2 0 240.391 1.781 20 0 BDADRP C[NH2+][C@H]1C[C@@H](Oc2ccc3c(c2C)CC[NH2+]C3)C1 ZINC001217956181 971545455 /nfs/dbraw/zinc/54/54/55/971545455.db2.gz SIECFRVSHWTCNI-BETUJISGSA-N 2 0 246.354 1.770 20 0 BDADRP CC(C)C[NH+]1CCC(NC2(C[NH3+])CC2)CC1 ZINC001258009463 971555835 /nfs/dbraw/zinc/55/58/35/971555835.db2.gz YQMKOKWZEOZACS-UHFFFAOYSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1Oc1ccc2c(c1)C[NH2+]C2 ZINC001218043485 971583145 /nfs/dbraw/zinc/58/31/45/971583145.db2.gz IZPNDZVCYDOFJW-QMTHXVAHSA-N 2 0 232.327 1.667 20 0 BDADRP C[C@@H]1C[C@H](Oc2cccc(C[NH3+])c2)C[NH2+]1 ZINC001218048409 971591062 /nfs/dbraw/zinc/59/10/62/971591062.db2.gz YHCONVLYDIZWFL-SKDRFNHKSA-N 2 0 206.289 1.275 20 0 BDADRP [NH3+]Cc1cccc(O[C@H]2CCOC3(C[NH2+]C3)C2)c1 ZINC001218089329 971598056 /nfs/dbraw/zinc/59/80/56/971598056.db2.gz UAVIHWXSMOUWHU-ZDUSSCGKSA-N 2 0 248.326 1.045 20 0 BDADRP [NH3+]Cc1cccc(O[C@@H]2CCO[C@@]23CC[NH2+]C3)c1 ZINC001218139498 971604641 /nfs/dbraw/zinc/60/46/41/971604641.db2.gz VYXNZQQKVZUQRT-ZIAGYGMSSA-N 2 0 248.326 1.045 20 0 BDADRP C[N@@H+]1CCN(C[C@@]2(C)CCC[NH2+]C2)CC1(C)C ZINC000216750311 971644961 /nfs/dbraw/zinc/64/49/61/971644961.db2.gz GVBGARBNMHKLAE-AWEZNQCLSA-N 2 0 239.407 1.402 20 0 BDADRP c1cc2c(c(O[C@H]3CCC34C[NH2+]C4)c1)CC[NH2+]C2 ZINC001218239718 971645959 /nfs/dbraw/zinc/64/59/59/971645959.db2.gz JANKSPAHLVCNIL-AWEZNQCLSA-N 2 0 244.338 1.463 20 0 BDADRP CC(C)CC[N@H+]1CC[C@@H](F)[C@@H](N)CC1 ZINC001206154258 974324085 /nfs/dbraw/zinc/32/40/85/974324085.db2.gz ICLYVAGYKXUPDA-MNOVXSKESA-N 2 0 202.317 1.794 20 0 BDADRP c1cc(O[C@H]2C[C@H]3[NH2+]CC[C@H]3C2)cc2c1C[NH2+]C2 ZINC001218253509 971651919 /nfs/dbraw/zinc/65/19/19/971651919.db2.gz XYFZWUBDZMKYJG-COLVAYQJSA-N 2 0 244.338 1.809 20 0 BDADRP [NH3+]Cc1ccc(O[C@H]2C[NH2+]CC[C@H]2F)cc1 ZINC001218321776 971710659 /nfs/dbraw/zinc/71/06/59/971710659.db2.gz YKKPQBGKJZHHQL-NEPJUHHUSA-N 2 0 224.279 1.224 20 0 BDADRP C[C@@H]1CC[C@@H](Oc2ccc3c(n2)CC[NH2+]C3)C[NH2+]1 ZINC001218401004 971775852 /nfs/dbraw/zinc/77/58/52/971775852.db2.gz GECJHXPELSSJBK-ZYHUDNBSSA-N 2 0 247.342 1.247 20 0 BDADRP C[C@H]1C[NH2+]CC[C@H]1Oc1cccc2c1CC[NH2+]C2 ZINC001218418666 971794843 /nfs/dbraw/zinc/79/48/43/971794843.db2.gz HGMCEPUILITWPP-SMDDNHRTSA-N 2 0 246.354 1.709 20 0 BDADRP [NH3+]CCc1ccc(O[C@@H]2[C@@H]3CC[C@H]2[NH2+]C3)cc1 ZINC001218442757 971820115 /nfs/dbraw/zinc/82/01/15/971820115.db2.gz SMTJJXACKBYJRC-MRVWCRGKSA-N 2 0 232.327 1.317 20 0 BDADRP c1cc2c(c(O[C@@H]3CC[C@H]4C[NH2+]C[C@H]43)c1)C[NH2+]C2 ZINC001218458805 971824986 /nfs/dbraw/zinc/82/49/86/971824986.db2.gz DJWJVEZUXOTIMI-NJZAAPMLSA-N 2 0 244.338 1.667 20 0 BDADRP [NH3+]Cc1cccc(O[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c1 ZINC001218478067 971828488 /nfs/dbraw/zinc/82/84/88/971828488.db2.gz RLMAAVMFGFAFQK-CYZMBNFOSA-N 2 0 218.300 1.417 20 0 BDADRP CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001135315182 971866368 /nfs/dbraw/zinc/86/63/68/971866368.db2.gz NEQAOBRSTVAAIV-VXGBXAGGSA-N 2 0 243.395 1.221 20 0 BDADRP CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001135315180 971867615 /nfs/dbraw/zinc/86/76/15/971867615.db2.gz NEQAOBRSTVAAIV-NWDGAFQWSA-N 2 0 243.395 1.221 20 0 BDADRP [NH3+]CC1(F)CC[NH+](CC2CCOCC2)CC1 ZINC001222528615 972545075 /nfs/dbraw/zinc/54/50/75/972545075.db2.gz YJOFBOLTBDLUDV-UHFFFAOYSA-N 2 0 230.327 1.176 20 0 BDADRP CC(C)[NH2+][C@H](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001135378101 971880304 /nfs/dbraw/zinc/88/03/04/971880304.db2.gz IGEMIHYZSRSXFR-NEPJUHHUSA-N 2 0 243.395 1.219 20 0 BDADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+]CC ZINC001135437469 971889797 /nfs/dbraw/zinc/88/97/97/971889797.db2.gz UYVAEALPKDRYAK-UHFFFAOYSA-N 2 0 243.395 1.224 20 0 BDADRP C[N@H+](CC1CC[NH+](C)CC1)[C@@H]1CCCOCC1 ZINC001170819847 971906393 /nfs/dbraw/zinc/90/63/93/971906393.db2.gz HZJXMOFFNCRCOU-CQSZACIVSA-N 2 0 240.391 1.829 20 0 BDADRP Cc1ccc(N[C@@H](C)[C@@H]2C[NH2+]CCO2)[nH+]c1C ZINC001159494823 971936230 /nfs/dbraw/zinc/93/62/30/971936230.db2.gz AANPZQLJOVQVOO-RYUDHWBXSA-N 2 0 235.331 1.487 20 0 BDADRP Cc1ccc(N[C@H](C)[C@@H]2C[NH2+]CCO2)[nH+]c1C ZINC001159494821 971936390 /nfs/dbraw/zinc/93/63/90/971936390.db2.gz AANPZQLJOVQVOO-NEPJUHHUSA-N 2 0 235.331 1.487 20 0 BDADRP [NH3+]C[C@@H]1CCCC[N@H+](Cc2cccc(O)c2)C1 ZINC000310538285 971975512 /nfs/dbraw/zinc/97/55/12/971975512.db2.gz PVZVCCARJVQSEL-ZDUSSCGKSA-N 2 0 234.343 1.953 20 0 BDADRP CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@H+](C)CC ZINC001135860516 971984281 /nfs/dbraw/zinc/98/42/81/971984281.db2.gz CVYHYCBZLSPWOA-RYUDHWBXSA-N 2 0 243.395 1.221 20 0 BDADRP CC(C)C[C@@](C)([NH3+])C(=O)Nc1ccc(C[NH3+])cc1 ZINC001219347057 972006600 /nfs/dbraw/zinc/00/66/00/972006600.db2.gz DSEHINPYSUKXBK-CQSZACIVSA-N 2 0 249.358 1.847 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC001219347141 972007114 /nfs/dbraw/zinc/00/71/14/972007114.db2.gz IYQSYSLMDHSVAN-BJHJDKERSA-N 2 0 247.342 1.424 20 0 BDADRP CCOc1ccc(N[C@@H]([NH3+])CCC[NH3+])cc1C ZINC001170901305 972053554 /nfs/dbraw/zinc/05/35/54/972053554.db2.gz YWPROLCUIBHCLN-CYBMUJFWSA-N 2 0 237.347 1.829 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc(CF)cc1 ZINC001170898038 972053670 /nfs/dbraw/zinc/05/36/70/972053670.db2.gz BFSBYCMSYMRSEZ-NSHDSACASA-N 2 0 211.284 1.592 20 0 BDADRP CC(C)CC[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000190759754 972054913 /nfs/dbraw/zinc/05/49/13/972054913.db2.gz ULYPAVJDNYRMPL-CQSZACIVSA-N 2 0 242.407 1.859 20 0 BDADRP Cc1[nH]c2ccc(N[C@@H]([NH3+])CCC[NH3+])cc2[nH+]1 ZINC001170898577 972058789 /nfs/dbraw/zinc/05/87/89/972058789.db2.gz FIUUCYZHGRQAHV-GFCCVEGCSA-N 3 0 233.319 1.307 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc2ccncc2c1 ZINC001170899240 972059319 /nfs/dbraw/zinc/05/93/19/972059319.db2.gz IUOFWQXFXIQGEW-CYBMUJFWSA-N 2 0 230.315 1.670 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ncnc2c1CCCCC2 ZINC001170899083 972061225 /nfs/dbraw/zinc/06/12/25/972061225.db2.gz WZXBBGARYKJJMG-GFCCVEGCSA-N 2 0 249.362 1.181 20 0 BDADRP Cc1ccnc2cc(N[C@@H]([NH3+])CCC[NH3+])ccc12 ZINC001170900497 972063108 /nfs/dbraw/zinc/06/31/08/972063108.db2.gz LVUVMRLNTNFXQW-CQSZACIVSA-N 2 0 244.342 1.979 20 0 BDADRP Cc1cc(Cl)cnc1N[C@H]([NH3+])CCC[NH3+] ZINC001170900464 972064488 /nfs/dbraw/zinc/06/44/88/972064488.db2.gz UEGYHYGKDPVKJO-VIFPVBQESA-N 2 0 228.727 1.479 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc2c(c1)NC(=O)CC2 ZINC001170900571 972066206 /nfs/dbraw/zinc/06/62/06/972066206.db2.gz WMPDCAUKVDIKDF-GFCCVEGCSA-N 2 0 248.330 1.007 20 0 BDADRP Cc1cc(Cl)cnc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170900462 972066812 /nfs/dbraw/zinc/06/68/12/972066812.db2.gz UEGYHYGKDPVKJO-SECBINFHSA-N 2 0 228.727 1.479 20 0 BDADRP Cc1cc(N[C@@H]([NH3+])CCC[NH3+])cnc1C ZINC001170900795 972070632 /nfs/dbraw/zinc/07/06/32/972070632.db2.gz YEVXXQHTHAQDFI-LLVKDONJSA-N 2 0 208.309 1.134 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1cc(OC(F)F)ccn1 ZINC001170905704 972076858 /nfs/dbraw/zinc/07/68/58/972076858.db2.gz VDCFNAYAUYTNPM-QMMMGPOBSA-N 2 0 246.261 1.119 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1cccc2cnoc21 ZINC001170904302 972077696 /nfs/dbraw/zinc/07/76/96/972077696.db2.gz NKJMGOHBCGXZPN-JTQLQIEISA-N 2 0 220.276 1.263 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1cc2[nH]cnc2c(F)c1 ZINC001170904761 972080820 /nfs/dbraw/zinc/08/08/20/972080820.db2.gz OWFZAIRDNQDEER-SNVBAGLBSA-N 2 0 237.282 1.138 20 0 BDADRP C[C@H](O)[C@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000390428591 972087289 /nfs/dbraw/zinc/08/72/89/972087289.db2.gz NUQHTLUMMCQXDW-QWRGUYRKSA-N 2 0 226.364 1.220 20 0 BDADRP Cc1ccc2ncnc(N[C@@H]([NH3+])CCC[NH3+])c2c1 ZINC001159784939 972111905 /nfs/dbraw/zinc/11/19/05/972111905.db2.gz MTFIGUZTWLAFLH-GFCCVEGCSA-N 2 0 245.330 1.374 20 0 BDADRP CC(C)Cc1cc(N[C@H]([NH3+])CCC[NH3+])ncn1 ZINC001159787631 972114390 /nfs/dbraw/zinc/11/43/90/972114390.db2.gz AJOUWFIXXCIIIY-NSHDSACASA-N 2 0 237.351 1.111 20 0 BDADRP CCCCC[C@@H](O)C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246024471 972118472 /nfs/dbraw/zinc/11/84/72/972118472.db2.gz VTNNPVFHXMNDEZ-YNEHKIRRSA-N 2 0 228.380 1.454 20 0 BDADRP CC(C)(C)[C@H](O)C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246026590 972120979 /nfs/dbraw/zinc/12/09/79/972120979.db2.gz UVDDUQDLAQIXBL-TZMCWYRMSA-N 2 0 240.391 1.611 20 0 BDADRP CC[C@H]1CC(NC2CC[NH2+]CC2)C[C@H](CC)[NH2+]1 ZINC001246081883 972136827 /nfs/dbraw/zinc/13/68/27/972136827.db2.gz URFWNFOCTHRBMO-RYUDHWBXSA-N 2 0 239.407 1.637 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](F)CC2)CC[NH2+]1 ZINC001246090490 972142150 /nfs/dbraw/zinc/14/21/50/972142150.db2.gz YBQVRBWLHOAEFF-WISYIIOYSA-N 2 0 214.328 1.997 20 0 BDADRP CSCC[C@@H](C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246088969 972143095 /nfs/dbraw/zinc/14/30/95/972143095.db2.gz AEWPCHUJWXOBQP-MNOVXSKESA-N 2 0 216.394 1.860 20 0 BDADRP C[C@]1(CN[C@H]2CCC[NH2+]C2)CCCC[NH2+]C1 ZINC001246090087 972143562 /nfs/dbraw/zinc/14/35/62/972143562.db2.gz INKOQQJXDVZCIO-STQMWFEESA-N 2 0 225.380 1.108 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[NH2+]C[C@@H]2C)CN1 ZINC001246098745 972151860 /nfs/dbraw/zinc/15/18/60/972151860.db2.gz RYGOXWMRVFATLN-DGAVXFQQSA-N 2 0 239.407 1.352 20 0 BDADRP C[NH2+]C1CCC([NH2+]C[C@H]2C[NH2+]C[C@@H](C)C2)CC1 ZINC001246100613 972155185 /nfs/dbraw/zinc/15/51/85/972155185.db2.gz ONZUFNHOPUZLJO-MRFVTOPCSA-N 3 0 239.407 1.352 20 0 BDADRP C[C@H]1C[C@@H](n2c(C[NH3+])nc3ccccc32)CC[NH2+]1 ZINC001246099913 972157191 /nfs/dbraw/zinc/15/71/91/972157191.db2.gz ZBROMZMDWUNOPK-QWRGUYRKSA-N 2 0 244.342 1.808 20 0 BDADRP C[C@@H](Cc1ccncc1)[NH2+]C[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001246100646 972159780 /nfs/dbraw/zinc/15/97/80/972159780.db2.gz OPLKRJICCQSVCW-KCQAQPDRSA-N 2 0 247.386 1.848 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246106691 972169267 /nfs/dbraw/zinc/16/92/67/972169267.db2.gz DXKKBSVZILMTNH-YHQUGGNUSA-N 2 0 237.391 1.247 20 0 BDADRP CC[C@H]1CC(N[C@@H]2C[NH2+]C[C@@H]2C)C[C@H](CC)[NH2+]1 ZINC001246117220 972179050 /nfs/dbraw/zinc/17/90/50/972179050.db2.gz PVCYMQAPFNNPQQ-ZJQBRPOHSA-N 2 0 239.407 1.493 20 0 BDADRP C[C@H]1CC[NH2+]C[C@@H]1C[NH2+]C1Cc2ccccc2C1 ZINC001246109839 972175009 /nfs/dbraw/zinc/17/50/09/972175009.db2.gz HGAYLMCMFIDJAN-SWLSCSKDSA-N 2 0 244.382 1.989 20 0 BDADRP COC1CCC([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC001246116058 972180255 /nfs/dbraw/zinc/18/02/55/972180255.db2.gz UMCWLMFYVXIENT-FEPKRQSRSA-N 2 0 240.391 1.779 20 0 BDADRP CC[C@@H]1C[C@H](N[C@H]2C[NH2+]C[C@@H]2C)C[C@H](CC)[NH2+]1 ZINC001246117219 972180422 /nfs/dbraw/zinc/18/04/22/972180422.db2.gz PVCYMQAPFNNPQQ-QNSTZXKLSA-N 2 0 239.407 1.493 20 0 BDADRP CC[C@@H]1C[C@H](N[C@@H]2C[NH2+]C[C@@H]2C)C[C@H](CC)[NH2+]1 ZINC001246117217 972181060 /nfs/dbraw/zinc/18/10/60/972181060.db2.gz PVCYMQAPFNNPQQ-ODXJTPSBSA-N 2 0 239.407 1.493 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@H]1CCc2cccc(F)c2C1 ZINC001170968340 972182347 /nfs/dbraw/zinc/18/23/47/972182347.db2.gz DLHFOHMKCFZULX-PWSUYJOCSA-N 2 0 236.334 1.867 20 0 BDADRP C1CC2(C[C@@H]1[NH2+][C@H]1CCCNC1)CC[NH2+]CC2 ZINC001246119483 972183408 /nfs/dbraw/zinc/18/34/08/972183408.db2.gz FNZKQUBYDRFDOL-OLZOCXBDSA-N 2 0 237.391 1.250 20 0 BDADRP C[C@H]1C[C@@H](N[C@@H]2CC[NH2+][C@H]2c2ccccc2)C[NH2+]1 ZINC001246141923 972192178 /nfs/dbraw/zinc/19/21/78/972192178.db2.gz LYEGABRSGWHOEJ-MYPMTAMASA-N 2 0 245.370 1.430 20 0 BDADRP C1CC12C[NH2+]C[C@H]2[NH2+]C1CCC2(COC2)CC1 ZINC001246130692 972189255 /nfs/dbraw/zinc/18/92/55/972189255.db2.gz JEJNOBRRBBBHBX-GFCCVEGCSA-N 2 0 236.359 1.287 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N[C@H]2C[NH2+]CC23CC3)CC[NH2+]1 ZINC001246134048 972190163 /nfs/dbraw/zinc/19/01/63/972190163.db2.gz OUYSINPDVKRNIL-AVGNSLFASA-N 2 0 237.391 1.105 20 0 BDADRP C[C@@H]1C[C@H](NCC[NH2+]Cc2ccccc2)C[NH2+]1 ZINC001246167636 972203259 /nfs/dbraw/zinc/20/32/59/972203259.db2.gz CRIHHABKZDYYAL-OCCSQVGLSA-N 2 0 233.359 1.116 20 0 BDADRP CCCC[C@@H]1C[C@H](NC[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC001246190777 972212665 /nfs/dbraw/zinc/21/26/65/972212665.db2.gz MQMKGKSHLDHIQY-MCIONIFRSA-N 2 0 239.407 1.639 20 0 BDADRP C[N@@H+]1CCC[C@H](NC[C@@H]2CCC[NH2+]C2)CC1 ZINC001246197655 972214770 /nfs/dbraw/zinc/21/47/70/972214770.db2.gz BSJZOKCNZVFYPO-OLZOCXBDSA-N 2 0 225.380 1.060 20 0 BDADRP CC[C@H]1CC(N[C@H]2C[C@H]([NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246192054 972215013 /nfs/dbraw/zinc/21/50/13/972215013.db2.gz YLAXBZSCVQTTQP-BJDJZHNGSA-N 2 0 225.380 1.375 20 0 BDADRP Fc1cccc2c1C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)C2 ZINC001246198582 972215060 /nfs/dbraw/zinc/21/50/60/972215060.db2.gz QJHXVWIWNGJFFS-YPMHNXCESA-N 2 0 248.345 1.882 20 0 BDADRP CC[C@@H]1C[C@H](NC[C@H]2CC[NH2+]2)C[C@H](CC)[NH2+]1 ZINC001246192602 972215895 /nfs/dbraw/zinc/21/58/95/972215895.db2.gz IJIUAOXSBYWBPI-XQHKEYJVSA-N 2 0 225.380 1.247 20 0 BDADRP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2C(=O)[C@@H](C)[NH3+] ZINC001220384488 972217199 /nfs/dbraw/zinc/21/71/99/972217199.db2.gz VVQHPMDFYGSWMH-ZYHUDNBSSA-N 2 0 247.342 1.469 20 0 BDADRP C[C@@H]1C[C@H](N(C(N)=[NH2+])c2ccccc2)CC[NH2+]1 ZINC001246235164 972240102 /nfs/dbraw/zinc/24/01/02/972240102.db2.gz IZGZZLVCAUMZFY-ZYHUDNBSSA-N 2 0 232.331 1.527 20 0 BDADRP C[NH+](C)[C@H]1CCCN(C[C@H]2CCC[N@H+](C)C2)C1 ZINC001208610181 957090819 /nfs/dbraw/zinc/09/08/19/957090819.db2.gz ZNSIPDBZRLWVFJ-KBPBESRZSA-N 2 0 239.407 1.354 20 0 BDADRP CCC1(N[C@@H]2CC[NH2+][C@H](C(C)C)C2)C[NH2+]C1 ZINC001246236216 972242734 /nfs/dbraw/zinc/24/27/34/972242734.db2.gz NWVQZMQXVGPAMA-NEPJUHHUSA-N 2 0 225.380 1.105 20 0 BDADRP CCC1([NH2+][C@@H]2CCC[C@]3(CC[NH2+]C3)C2)CNC1 ZINC001246238915 972244522 /nfs/dbraw/zinc/24/45/22/972244522.db2.gz WYOWPOVWYAZJJJ-OLZOCXBDSA-N 2 0 237.391 1.250 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc2c1OCC2 ZINC000692967654 957161841 /nfs/dbraw/zinc/16/18/41/957161841.db2.gz RZKISLSLFGDYKU-OCCSQVGLSA-N 2 0 246.354 1.839 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC23CC[NH+](CC2)CC3)CC[NH2+]1 ZINC001246263868 972250969 /nfs/dbraw/zinc/25/09/69/972250969.db2.gz LPJDBUFKFZFDBK-QWHCGFSZSA-N 3 0 237.391 1.202 20 0 BDADRP COCOCCC[N@H+](C)CCC[NH+]1CCCC1 ZINC001209029782 957284469 /nfs/dbraw/zinc/28/44/69/957284469.db2.gz OUMOMBBBQKDDSE-UHFFFAOYSA-N 2 0 244.379 1.415 20 0 BDADRP CCC[NH+]1C[C@@H]2C[NH+](CCCOC)C[C@H]2C1 ZINC001209055444 957305217 /nfs/dbraw/zinc/30/52/17/957305217.db2.gz YPLYDOFZEJVNCS-CHWSQXEVSA-N 2 0 226.364 1.297 20 0 BDADRP CCOCC[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC001172406671 974663338 /nfs/dbraw/zinc/66/33/38/974663338.db2.gz OUKYKAFRRJQPIM-LBPRGKRZSA-N 2 0 228.380 1.733 20 0 BDADRP CC1(C)C[C@H]([NH+]2CCC(C[NH3+])CC2)CO1 ZINC000396877691 957334582 /nfs/dbraw/zinc/33/45/82/957334582.db2.gz JILMNFHRXOSJPC-NSHDSACASA-N 2 0 212.337 1.225 20 0 BDADRP CCCC[C@H]([NH2+]C)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC001220857471 972268139 /nfs/dbraw/zinc/26/81/39/972268139.db2.gz DMJBXVQQDDPKIB-QWRGUYRKSA-N 2 0 243.395 1.254 20 0 BDADRP CCOC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]([NH3+])CC)C1 ZINC001246313770 972274294 /nfs/dbraw/zinc/27/42/94/972274294.db2.gz KZSVXMXGARPNDS-WOPDTQHZSA-N 2 0 242.363 1.435 20 0 BDADRP C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000705907029 957545089 /nfs/dbraw/zinc/54/50/89/957545089.db2.gz YRZNAQDTZXOODP-LBPRGKRZSA-N 2 0 247.342 1.426 20 0 BDADRP C[N@@H+]1CC[C@H](Nc2cccc3c2C[NH2+]CC3)C1 ZINC001167278924 957627419 /nfs/dbraw/zinc/62/74/19/957627419.db2.gz YGGOTIJJTJKCBK-LBPRGKRZSA-N 2 0 231.343 1.448 20 0 BDADRP CC[C@H]([NH3+])CN1CC[NH2+]C[C@H]1c1ccccc1 ZINC001210194835 957662823 /nfs/dbraw/zinc/66/28/23/957662823.db2.gz DVAAVQBKDKCLFS-KBPBESRZSA-N 2 0 233.359 1.370 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2C[NH2+]CCC2(C)C)CC[NH2+]1 ZINC001246324553 972286056 /nfs/dbraw/zinc/28/60/56/972286056.db2.gz FKGQJTJZFNWDSW-UTUOFQBUSA-N 2 0 225.380 1.105 20 0 BDADRP CC1(C)CC[NH2+]C[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246324235 972286724 /nfs/dbraw/zinc/28/67/24/972286724.db2.gz DXQMEWQLPFZDDL-ZGVCCVRISA-N 2 0 237.391 1.247 20 0 BDADRP C[C@H]1CCCC[C@H]1[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246330626 972293668 /nfs/dbraw/zinc/29/36/68/972293668.db2.gz DIJOUAQZBCIRTM-RWMBFGLXSA-N 2 0 237.391 1.249 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCOC(C)(C)C2)CC[NH2+]1 ZINC001246367895 972307951 /nfs/dbraw/zinc/30/79/51/972307951.db2.gz AYWYUAIRLHHZPK-FRRDWIJNSA-N 2 0 240.391 1.922 20 0 BDADRP Fc1cccc2c1C[C@H]([NH2+][C@@H]1CC13C[NH2+]C3)CC2 ZINC001246448664 972319167 /nfs/dbraw/zinc/31/91/67/972319167.db2.gz ZRWGXJOXQBYDII-BXUZGUMPSA-N 2 0 246.329 1.635 20 0 BDADRP CC(C)CC[C@@H](C)[NH2+]CCCNCCC[NH3+] ZINC001246453293 972325511 /nfs/dbraw/zinc/32/55/11/972325511.db2.gz NCWWCQKILHGPPC-CYBMUJFWSA-N 2 0 229.412 1.729 20 0 BDADRP C[C@H](O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000693418787 958387301 /nfs/dbraw/zinc/38/73/01/958387301.db2.gz DJDSOTMESQNSOC-GRYCIOLGSA-N 2 0 214.353 1.207 20 0 BDADRP CC(C)(O)[C@@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000707559042 958578434 /nfs/dbraw/zinc/57/84/34/958578434.db2.gz RSMFSCLOWLWROF-LBPRGKRZSA-N 2 0 226.364 1.221 20 0 BDADRP CCC[C@@H](CC)[NH2+][C@@H](CCCC[NH3+])C(=O)NC ZINC001246513698 972367789 /nfs/dbraw/zinc/36/77/89/972367789.db2.gz WBAOIUVHWFPWTL-NEPJUHHUSA-N 2 0 243.395 1.398 20 0 BDADRP CC[C@@H](C(=O)NC[C@H](C)[NH2+]CC(C)C)[NH+](C)C ZINC001266972279 958688978 /nfs/dbraw/zinc/68/89/78/958688978.db2.gz YRTMCDZCYSTCNN-RYUDHWBXSA-N 2 0 243.395 1.077 20 0 BDADRP CC(C)(C)[C@H]1C[C@@H](N2CCC[NH2+]CC2)CC[NH2+]1 ZINC001246522875 972377633 /nfs/dbraw/zinc/37/76/33/972377633.db2.gz HFXVKUKHMIEFIP-QWHCGFSZSA-N 2 0 239.407 1.448 20 0 BDADRP CO[C@H]1CC[C@H]1[N@H+](C)CCCCCC[NH3+] ZINC000724151673 958744281 /nfs/dbraw/zinc/74/42/81/958744281.db2.gz ITGZJIIIITWSOD-NEPJUHHUSA-N 2 0 214.353 1.615 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000693548090 958763287 /nfs/dbraw/zinc/76/32/87/958763287.db2.gz ZPOQTQIHKWKFBK-LPEHRKFASA-N 2 0 236.281 1.998 20 0 BDADRP C[C@@H]1COCC[N@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207275067 958843151 /nfs/dbraw/zinc/84/31/51/958843151.db2.gz JHUZVKZNTKXZMA-LBPRGKRZSA-N 2 0 228.380 1.543 20 0 BDADRP C[NH+](C)CC(C)(C)C[N@@H+]1CC[C@](C)(CO)C1 ZINC001207274870 958843088 /nfs/dbraw/zinc/84/30/88/958843088.db2.gz GVIVPIQVGNEGEA-ZDUSSCGKSA-N 2 0 228.380 1.279 20 0 BDADRP C[C@H]1C[N@H+](CC(C)(C)C[NH+](C)C)CCC[C@@H]1O ZINC001207276499 958850537 /nfs/dbraw/zinc/85/05/37/958850537.db2.gz YJMIXRRQYGOVLD-STQMWFEESA-N 2 0 242.407 1.667 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@@H](CCF)C2)C1 ZINC000693566231 958856429 /nfs/dbraw/zinc/85/64/29/958856429.db2.gz DBLJWHOHQMSDPL-SDDRHHMPSA-N 2 0 214.328 1.795 20 0 BDADRP C[C@@H]1CSCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000693584977 958888774 /nfs/dbraw/zinc/88/87/74/958888774.db2.gz GOKOLQNKQLLINH-GARJFASQSA-N 2 0 214.378 1.409 20 0 BDADRP CO[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CC[C@@H]1C ZINC000693587118 958892902 /nfs/dbraw/zinc/89/29/02/958892902.db2.gz YCCZMEJMEIWJST-NNYUYHANSA-N 2 0 212.337 1.081 20 0 BDADRP [NH3+]Cc1cccn1-c1ccc2c(c1)C[NH2+]C2 ZINC001167592742 958990762 /nfs/dbraw/zinc/99/07/62/958990762.db2.gz BZFXKDNGUCTCQP-UHFFFAOYSA-N 2 0 213.284 1.539 20 0 BDADRP CC[C@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)CO1 ZINC000693617866 959009721 /nfs/dbraw/zinc/00/97/21/959009721.db2.gz UMSPVSTWVOZOLF-YFKTTZPYSA-N 2 0 212.337 1.223 20 0 BDADRP C[N@@H+]1CC[C@@H](NCC2(C)OCCO2)CC1(C)C ZINC001331277000 974669549 /nfs/dbraw/zinc/66/95/49/974669549.db2.gz DOFGFCYHAXSCPN-LLVKDONJSA-N 2 0 242.363 1.212 20 0 BDADRP [NH3+]C[C@H]1CCCC[N@H+](C[C@@H]2CCOC2)C1 ZINC000308868042 959101348 /nfs/dbraw/zinc/10/13/48/959101348.db2.gz RHYYKOYQDLWTAL-NEPJUHHUSA-N 2 0 212.337 1.084 20 0 BDADRP CSCC[C@@H](C)[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001246529481 972418051 /nfs/dbraw/zinc/41/80/51/972418051.db2.gz KMQBXEHAFRRZTC-NXEZZACHSA-N 2 0 202.367 1.551 20 0 BDADRP Cc1cccnc1CC[NH2+]CC1CC[NH+](C)CC1 ZINC000404815205 959348061 /nfs/dbraw/zinc/34/80/61/959348061.db2.gz KKPNXNVYRLQMLN-UHFFFAOYSA-N 2 0 247.386 1.864 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCCSC2)C12CCC2 ZINC000405308890 959431670 /nfs/dbraw/zinc/43/16/70/959431670.db2.gz NSIHXWDSTYCPLA-HBNTYKKESA-N 2 0 226.389 1.742 20 0 BDADRP C([C@@H]1CCC[NH2+]1)N1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222258520 972429256 /nfs/dbraw/zinc/42/92/56/972429256.db2.gz BYJIKVVBDDUBFC-UONOGXRCSA-N 2 0 237.391 1.204 20 0 BDADRP OCCCC[N@@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222308680 972437989 /nfs/dbraw/zinc/43/79/89/972437989.db2.gz LEYOTVSTURRYQE-ZDUSSCGKSA-N 2 0 226.364 1.367 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CC1(C)C)C2 ZINC000308966543 959550263 /nfs/dbraw/zinc/55/02/63/959550263.db2.gz MRFDAAIASNKLII-WRWGMCAJSA-N 2 0 208.349 2.000 20 0 BDADRP C(O[C@H]1CCC12CC[NH2+]CC2)[C@H]1CCC[NH2+]C1 ZINC001217796401 959610375 /nfs/dbraw/zinc/61/03/75/959610375.db2.gz JVDSSPKGOCONSO-STQMWFEESA-N 2 0 238.375 1.535 20 0 BDADRP C(CO[C@H]1CCC12C[NH2+]C2)C[C@@H]1CCC[NH2+]C1 ZINC001217850065 959660256 /nfs/dbraw/zinc/66/02/56/959660256.db2.gz QMDCHCVGPIYFRR-STQMWFEESA-N 2 0 238.375 1.535 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1OC[C@H]1CCC[NH2+]C1 ZINC001217915940 959750600 /nfs/dbraw/zinc/75/06/00/959750600.db2.gz BEFHHCOTDVFTSF-WOPDTQHZSA-N 2 0 212.337 1.001 20 0 BDADRP C[C@H]1CC[C@@H](OC[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001217914349 959751511 /nfs/dbraw/zinc/75/15/11/959751511.db2.gz YVOGAXODRBGOGZ-ZDEQEGDKSA-N 2 0 226.364 1.661 20 0 BDADRP CC1(C)C[C@H](OCC[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001217937100 959784381 /nfs/dbraw/zinc/78/43/81/959784381.db2.gz JTXIZFBUXUMUDW-QWHCGFSZSA-N 2 0 240.391 1.923 20 0 BDADRP CC(C)N(C)C[C@H](C)[NH2+][C@H]1CCCN(C)C1 ZINC000309300634 959846714 /nfs/dbraw/zinc/84/67/14/959846714.db2.gz YDIXHTPVJSWTBS-STQMWFEESA-N 2 0 227.396 1.399 20 0 BDADRP F[C@H]1C[NH2+]CC[C@@H]1Oc1ccc2c(c1)C[NH2+]C2 ZINC001218065064 959851055 /nfs/dbraw/zinc/85/10/55/959851055.db2.gz CRBQLRIFIIFZMR-STQMWFEESA-N 2 0 236.290 1.369 20 0 BDADRP CC1([NH3+])CC[NH+]([C@@H]2CCCOCC2)CC1 ZINC000309466070 959879712 /nfs/dbraw/zinc/87/97/12/959879712.db2.gz PYAHMVMNVNFROJ-LLVKDONJSA-N 2 0 212.337 1.369 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H]1C[NH3+] ZINC000708840836 959905485 /nfs/dbraw/zinc/90/54/85/959905485.db2.gz MEMACQPTLSNQQA-CMPLNLGQSA-N 2 0 248.326 1.442 20 0 BDADRP c1cc2c(cc1O[C@@H]1C[C@@H]3C[NH2+]C[C@@H]13)CC[NH2+]C2 ZINC001218323896 959978985 /nfs/dbraw/zinc/97/89/85/959978985.db2.gz FDXDNTINAVEVNS-BPLDGKMQSA-N 2 0 244.338 1.319 20 0 BDADRP C[C@H]([NH3+])c1ccc(O[C@@H]2C[NH2+][C@H]2C)cc1 ZINC001218387491 960036791 /nfs/dbraw/zinc/03/67/91/960036791.db2.gz PMEIYHGCWFXBQN-HOTUBEGUSA-N 2 0 206.289 1.445 20 0 BDADRP C[C@H]1C[N@H+](CCC2CCOCC2)C[C@H]1C[NH3+] ZINC000708889116 960077662 /nfs/dbraw/zinc/07/76/62/960077662.db2.gz FUVVNDDEKFBYME-WCQYABFASA-N 2 0 226.364 1.330 20 0 BDADRP c1cnc([C@@H]2CCC[N@H+]2CC2CC[NH2+]CC2)cn1 ZINC001207437264 960095076 /nfs/dbraw/zinc/09/50/76/960095076.db2.gz GPZAEYWTHFCKGQ-AWEZNQCLSA-N 2 0 246.358 1.613 20 0 BDADRP OC[C@@H]1CCCCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000695184595 960148009 /nfs/dbraw/zinc/14/80/09/960148009.db2.gz JWVTUVFOLJHILO-AWEZNQCLSA-N 2 0 240.391 1.613 20 0 BDADRP C[NH2+]CCNc1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC001167726320 960248566 /nfs/dbraw/zinc/24/85/66/960248566.db2.gz BTYNIZOQZPOISP-CYBMUJFWSA-N 2 0 233.359 1.785 20 0 BDADRP C[C@@H]1COCC[N@@H+]1CCC1CC[NH+](C)CC1 ZINC001207479506 960354233 /nfs/dbraw/zinc/35/42/33/960354233.db2.gz JVHDZKZDHHWJEF-GFCCVEGCSA-N 2 0 226.364 1.439 20 0 BDADRP CC1(CN2CC[C@]3(CCC[NH2+]3)C2)CC[NH2+]CC1 ZINC001222465619 972500804 /nfs/dbraw/zinc/50/08/04/972500804.db2.gz WFAXUPRMDGVREZ-CQSZACIVSA-N 3 0 237.391 1.204 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](CO)CC2)CC[NH2+]1 ZINC000709467564 960614199 /nfs/dbraw/zinc/61/41/99/960614199.db2.gz UOZFVKAPBBTGBR-JHJVBQTASA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H]1C[C@H](O)CC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709488509 960622536 /nfs/dbraw/zinc/62/25/36/960622536.db2.gz BHCTVOQGKBFTNM-OCIKQUFWSA-N 2 0 224.348 1.115 20 0 BDADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925702541 960699468 /nfs/dbraw/zinc/69/94/68/960699468.db2.gz BMILKVYGDCSEKW-AGIUHOORSA-N 3 0 237.391 1.378 20 0 BDADRP C[NH+]1CCC2(CC[N@H+](Cc3cnco3)C2)CC1 ZINC001140932604 960712535 /nfs/dbraw/zinc/71/25/35/960712535.db2.gz USRVELVMULFXKY-UHFFFAOYSA-N 2 0 235.331 1.592 20 0 BDADRP C[C@H]1CC[C@@H](C[NH3+])N1C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246538291 972529680 /nfs/dbraw/zinc/52/96/80/972529680.db2.gz NFMGHZJNZYDPAU-WYUUTHIRSA-N 2 0 225.380 1.327 20 0 BDADRP [NH3+][C@@H]1C[C@@H](N[C@@H]2CC[NH2+]C23CCC3)C12CCC2 ZINC000925721712 960795508 /nfs/dbraw/zinc/79/55/08/960795508.db2.gz DPYUGDHMOAVFGM-IJLUTSLNSA-N 2 0 235.375 1.131 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H]2CC[C@@H](C)NC2)CC1 ZINC000399001548 961057492 /nfs/dbraw/zinc/05/74/92/961057492.db2.gz TUNGNTJWYJWZJU-TZMCWYRMSA-N 2 0 239.407 1.448 20 0 BDADRP [NH2+]=CNc1ccc([C@]23CC[NH2+][C@@H]2COCC3)cc1 ZINC001167864882 961330584 /nfs/dbraw/zinc/33/05/84/961330584.db2.gz KBMSEENEYDFNLY-ZIAGYGMSSA-N 2 0 245.326 1.726 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000724417766 961430615 /nfs/dbraw/zinc/43/06/15/961430615.db2.gz AIOMVYSEDCIMTE-NZEXEKPDSA-N 2 0 226.364 1.612 20 0 BDADRP [NH2+]=C(Nc1cccc(C[NH3+])c1)SCC[NH3+] ZINC001167914528 961823434 /nfs/dbraw/zinc/82/34/34/961823434.db2.gz MKNQMNMAZMGKJN-UHFFFAOYSA-N 3 0 224.333 1.184 20 0 BDADRP C[NH+](C)CCN(CC[NH+](C)C)[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167941480 962195703 /nfs/dbraw/zinc/19/57/03/962195703.db2.gz ZHXNKLNLJKKEEB-BTTYYORXSA-N 2 0 239.407 1.210 20 0 BDADRP CC[N@H+]1C[C@@H]2C[NH+]([C@@H]3C[C@H]4C[C@H]4C3)C[C@@H]2C1 ZINC001167947633 962566162 /nfs/dbraw/zinc/56/61/62/962566162.db2.gz CLJIDUJPFPMJKL-RVOPOGNISA-N 2 0 220.360 1.668 20 0 BDADRP CCC[NH+]1CCC(C[NH2+][C@H]2COC[C@H]2C)CC1 ZINC000924953840 962608851 /nfs/dbraw/zinc/60/88/51/962608851.db2.gz DRQKTWMZGRHAMV-OCCSQVGLSA-N 2 0 240.391 1.733 20 0 BDADRP Cc1cnc(N[C@H]2CCC[C@H]([NH3+])C2)c(C[NH3+])c1 ZINC001154990109 962933520 /nfs/dbraw/zinc/93/35/20/962933520.db2.gz WGTFMQCERQKNJN-RYUDHWBXSA-N 2 0 234.347 1.531 20 0 BDADRP F[C@@H]1C[NH2+][C@H](CNc2cc3[nH]ccc3c[nH+]2)C1 ZINC001155031200 962946330 /nfs/dbraw/zinc/94/63/30/962946330.db2.gz TVQKAQTXIISACQ-UWVGGRQHSA-N 2 0 234.278 1.675 20 0 BDADRP C[C@@H]1C[C@@H](CNc2cc(N)cc[nH+]2)C[NH2+]1 ZINC001155095628 962974277 /nfs/dbraw/zinc/97/42/77/962974277.db2.gz SDTSQPOMHMSVAQ-RKDXNWHRSA-N 2 0 206.293 1.074 20 0 BDADRP C[C@@H]1C[C@@H](CNc2[nH+]ccc3[nH]ccc32)C[NH2+]1 ZINC001155095369 962975272 /nfs/dbraw/zinc/97/52/72/962975272.db2.gz OXOBGJHELCLYNY-NXEZZACHSA-N 2 0 230.315 1.973 20 0 BDADRP CC1([NH3+])CN(CCC[NH2+]C2CCCCC2)C1 ZINC001204966059 962987882 /nfs/dbraw/zinc/98/78/82/962987882.db2.gz OQJOZWDHJSWCFJ-UHFFFAOYSA-N 2 0 225.380 1.332 20 0 BDADRP Cc1c[nH+]c(NC[C@]23C[NH2+]C[C@H]2COC3)cc1C ZINC001155515403 963094017 /nfs/dbraw/zinc/09/40/17/963094017.db2.gz WUWWOTHICWAGEZ-JSGCOSHPSA-N 2 0 247.342 1.346 20 0 BDADRP CN(c1[nH+]ccc2c1ccn2C)C1CC[NH2+]CC1 ZINC001156171903 963273118 /nfs/dbraw/zinc/27/31/18/963273118.db2.gz HNEXBMCLMZDCRM-UHFFFAOYSA-N 2 0 244.342 1.762 20 0 BDADRP [NH2+]=C(NCCCC[NH3+])Nc1ccc2occc2n1 ZINC001157096206 963530454 /nfs/dbraw/zinc/53/04/54/963530454.db2.gz GESFZFWKARKHJB-UHFFFAOYSA-N 2 0 247.302 1.503 20 0 BDADRP Cc1c[nH+]c(N2C[C@H]3CCC[N@@H+](C)[C@H]3C2)cc1N ZINC001157272124 963565958 /nfs/dbraw/zinc/56/59/58/963565958.db2.gz LAMFQBBSMDDHFZ-YPMHNXCESA-N 2 0 246.358 1.503 20 0 BDADRP CC(C)[N@H+](CCC[NH3+])[C@@H]1CCO[C@H](C)C1 ZINC001168073466 963605831 /nfs/dbraw/zinc/60/58/31/963605831.db2.gz CNZYRTWYKWKQBL-VXGBXAGGSA-N 2 0 214.353 1.613 20 0 BDADRP CN(C)c1cc[nH+]c(-n2ccc3c2CC[NH2+]C3)c1 ZINC001157444776 963606414 /nfs/dbraw/zinc/60/64/14/963606414.db2.gz RMGYLAAVPREWEH-UHFFFAOYSA-N 2 0 242.326 1.584 20 0 BDADRP CC(C)N(C(=O)[C@@H]([NH3+])CCCC[NH3+])C(C)C ZINC001157459047 963616911 /nfs/dbraw/zinc/61/69/11/963616911.db2.gz VLMKASVOLAGJMJ-NSHDSACASA-N 2 0 229.368 1.088 20 0 BDADRP CC(C)N(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C(C)C ZINC001157458635 963617481 /nfs/dbraw/zinc/61/74/81/963617481.db2.gz MCIXFTVBJRSSJH-LBPRGKRZSA-N 2 0 243.395 1.478 20 0 BDADRP CC(C)[NH+]1CC(Nc2cc(C[NH+](C)C)ccn2)C1 ZINC001157529448 963643588 /nfs/dbraw/zinc/64/35/88/963643588.db2.gz DOBHOGFZPCFMRL-UHFFFAOYSA-N 2 0 248.374 1.648 20 0 BDADRP C([C@@H]1CCCC[NH2+]C1)N1CC[NH+](C2CC2)CC1 ZINC000697063450 963685391 /nfs/dbraw/zinc/68/53/91/963685391.db2.gz KYNHCFWWAPBYHV-CYBMUJFWSA-N 2 0 237.391 1.156 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C(C)(C)C(C)(C)[NH3+])CCO1 ZINC001168092425 963686613 /nfs/dbraw/zinc/68/66/13/963686613.db2.gz QJAIWZDBTOXSAP-VHSXEESVSA-N 2 0 214.353 1.659 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(CC3CC3)C2)CCO1 ZINC001168093730 963697802 /nfs/dbraw/zinc/69/78/02/963697802.db2.gz OGHJCTAGRFATEM-BNOWGMLFSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@@]1([NH3+])CCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC001204809526 963782714 /nfs/dbraw/zinc/78/27/14/963782714.db2.gz IYRRUVCSBXQSBF-OAHLLOKOSA-N 2 0 245.370 1.255 20 0 BDADRP CC(C)N(c1cc(N(C)C)cc[nH+]1)[C@H]1CC[NH2+]C1 ZINC001158026172 963794777 /nfs/dbraw/zinc/79/47/77/963794777.db2.gz SVUDMQAHGJAZTE-ZDUSSCGKSA-N 2 0 248.374 1.724 20 0 BDADRP Cc1cnc(N2C[C@@H](C)[NH2+][C@@H](C)C2)c(C[NH3+])c1 ZINC001158180731 963822146 /nfs/dbraw/zinc/82/21/46/963822146.db2.gz YZPIOUKXEYFADD-PHIMTYICSA-N 2 0 234.347 1.035 20 0 BDADRP CC[N@H+]1C[C@@H]2C[NH+]([C@@H]3CCO[C@@H](C)C3)C[C@@H]2C1 ZINC001168147040 963864363 /nfs/dbraw/zinc/86/43/63/963864363.db2.gz YSRBUTJJMJSDBO-IGQOVBAYSA-N 2 0 238.375 1.437 20 0 BDADRP CC[NH+]1C[C@@H]2C[NH+]([C@@H]3CCO[C@H](C)C3)C[C@H]2C1 ZINC001168147037 963864397 /nfs/dbraw/zinc/86/43/97/963864397.db2.gz YSRBUTJJMJSDBO-AAVRWANBSA-N 2 0 238.375 1.437 20 0 BDADRP COc1cc[nH+]c(NCC23CC[NH+](CC2)CC3)c1 ZINC001158824608 963936570 /nfs/dbraw/zinc/93/65/70/963936570.db2.gz RRUSSZNZRTWPLX-UHFFFAOYSA-N 2 0 247.342 1.988 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCCOC1 ZINC000822123834 963939070 /nfs/dbraw/zinc/93/90/70/963939070.db2.gz GDCLUWSUZHSNNQ-NEPJUHHUSA-N 2 0 212.337 1.239 20 0 BDADRP Cc1cc(N(C)C)nc(NC2(C)CC[NH2+]CC2)[nH+]1 ZINC001168183788 963939319 /nfs/dbraw/zinc/93/93/19/963939319.db2.gz MTXRSKZEJQBXBJ-UHFFFAOYSA-N 2 0 249.362 1.405 20 0 BDADRP CC1(Nc2ccc3c(n2)CCOC3)CC[NH2+]CC1 ZINC001168183269 963939436 /nfs/dbraw/zinc/93/94/36/963939436.db2.gz ALFBTRFWEDZQOR-UHFFFAOYSA-N 2 0 247.342 1.708 20 0 BDADRP Cc1cc2[nH]ccc2c(NCCN(C)CC[NH3+])[nH+]1 ZINC001159438699 964093276 /nfs/dbraw/zinc/09/32/76/964093276.db2.gz HCFPXCCLBCMJRO-UHFFFAOYSA-N 2 0 247.346 1.174 20 0 BDADRP CCC[N@H+](C)CC(=O)N(C)CC[NH+](C)C(C)C ZINC001482644719 964110124 /nfs/dbraw/zinc/11/01/24/964110124.db2.gz SXOARTXMXUZJNT-UHFFFAOYSA-N 2 0 243.395 1.127 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]C2CC(F)(F)C2)C12CCC2 ZINC000697515857 964153690 /nfs/dbraw/zinc/15/36/90/964153690.db2.gz MBODCLJPDBOSOC-BDAKNGLRSA-N 2 0 216.275 1.644 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]C2CC(F)(F)C2)C12CCC2 ZINC000697515860 964155804 /nfs/dbraw/zinc/15/58/04/964155804.db2.gz MBODCLJPDBOSOC-DTWKUNHWSA-N 2 0 216.275 1.644 20 0 BDADRP Cc1nc(N[C@H]([NH3+])CCC[NH3+])nc2ccccc12 ZINC001159783958 964194270 /nfs/dbraw/zinc/19/42/70/964194270.db2.gz FHVNCMJAGKLJTH-LBPRGKRZSA-N 2 0 245.330 1.374 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc(Cl)cn1 ZINC001159780086 964196505 /nfs/dbraw/zinc/19/65/05/964196505.db2.gz PSDCOKGCNYPNFI-MRVPVSSYSA-N 2 0 214.700 1.171 20 0 BDADRP CC(C)(C)c1cc(N[C@@H]([NH3+])CCC[NH3+])ncn1 ZINC001159786537 964202913 /nfs/dbraw/zinc/20/29/13/964202913.db2.gz CZCSUYIYTZIZCB-SNVBAGLBSA-N 2 0 237.351 1.210 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@@]2(C)C[C@H](O)C2)CC1 ZINC001168297983 964393327 /nfs/dbraw/zinc/39/33/27/964393327.db2.gz SYWPQDOYOKNIPH-VNOJIWKOSA-N 2 0 226.364 1.362 20 0 BDADRP C[NH+](C)C1CCC([N@H+]2C=C(N)C=CC2)CC1 ZINC001168305570 964400866 /nfs/dbraw/zinc/40/08/66/964400866.db2.gz NIOKRDFZFPRJSE-UHFFFAOYSA-N 2 0 221.348 1.531 20 0 BDADRP CC(=O)OCC[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168312462 964416349 /nfs/dbraw/zinc/41/63/49/964416349.db2.gz YCTQBMOYKAHGMR-UHFFFAOYSA-N 2 0 228.336 1.012 20 0 BDADRP CC(C)[NH+]1CC(Nc2cnc3c(c2)C[NH2+]CC3)C1 ZINC001168314152 964418996 /nfs/dbraw/zinc/41/89/96/964418996.db2.gz LQHPETZIZPCYLI-UHFFFAOYSA-N 2 0 246.358 1.232 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2CC[C@H](F)[C@@H](O)C2)CC1 ZINC001168313369 964419772 /nfs/dbraw/zinc/41/97/72/964419772.db2.gz AMSJTKKOYTXNHR-TYUFSLCMSA-N 2 0 244.354 1.264 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2CCOCC2(C)C)CC1 ZINC001168324642 964447112 /nfs/dbraw/zinc/44/71/12/964447112.db2.gz SHPUFJZWYTXPTE-UHFFFAOYSA-N 2 0 240.391 1.970 20 0 BDADRP COC(C[N@H+](C)C1CCC([NH+](C)C)CC1)OC ZINC001168327012 964455109 /nfs/dbraw/zinc/45/51/09/964455109.db2.gz INXHUOHVJCLIID-UHFFFAOYSA-N 2 0 244.379 1.410 20 0 BDADRP CC[C@@](C)(C[NH2+]CC[C@H](C)[NH+](C)C)OC ZINC000697824914 964548835 /nfs/dbraw/zinc/54/88/35/964548835.db2.gz CTMGTTZKCPBFMS-RYUDHWBXSA-N 2 0 216.369 1.731 20 0 BDADRP CCOC[C@H](C)[NH2+]CC[C@H](C)[NH+](C)C ZINC000697864754 964589474 /nfs/dbraw/zinc/58/94/74/964589474.db2.gz AWCLOMGKCJJAAI-QWRGUYRKSA-N 2 0 202.342 1.341 20 0 BDADRP COCC[C@H](C)[NH2+]CC[C@H](C)[NH+](C)C ZINC000697870293 964595381 /nfs/dbraw/zinc/59/53/81/964595381.db2.gz KNOSDDLXFRFYTQ-QWRGUYRKSA-N 2 0 202.342 1.341 20 0 BDADRP Cc1c[nH+]c(NC[C@H]2C[NH2+]CC(C)(C)O2)cc1C ZINC001161955967 964837833 /nfs/dbraw/zinc/83/78/33/964837833.db2.gz CMVJHZVHLAURPP-GFCCVEGCSA-N 2 0 249.358 1.877 20 0 BDADRP CN(C)c1cc[nH+]c(N[C@H]2C[C@@](C)([NH3+])C2)c1 ZINC001162328654 964934377 /nfs/dbraw/zinc/93/43/77/964934377.db2.gz VGDGGRADWQDFCD-WVSHTKLVSA-N 2 0 220.320 1.439 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](Nc2ccc3c([nH+]2)NCCO3)C1 ZINC001162404534 964961447 /nfs/dbraw/zinc/96/14/47/964961447.db2.gz NZFDAHVNQPMNOM-ZJUUUORDSA-N 2 0 248.330 1.568 20 0 BDADRP [NH3+]Cc1cccc(N[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC001162405306 964966414 /nfs/dbraw/zinc/96/64/14/964966414.db2.gz UGFGZZGVDAJMAP-NXEZZACHSA-N 2 0 220.320 1.222 20 0 BDADRP C[C@@H]1C[NH2+]CCC[C@H]1C[NH2+]c1cccc(=O)n1C ZINC001162465686 964987819 /nfs/dbraw/zinc/98/78/19/964987819.db2.gz JFKSSQDANAZTMR-NEPJUHHUSA-N 2 0 249.358 1.433 20 0 BDADRP CC1(CC[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000698094248 964998761 /nfs/dbraw/zinc/99/87/61/964998761.db2.gz ZPWOSDKYFUAYAA-NWBUJAPZSA-N 2 0 220.360 1.763 20 0 BDADRP Cc1cc(NC[C@H]2C[NH2+][C@H](C)C2)cc(C)[nH+]1 ZINC001162556617 965046999 /nfs/dbraw/zinc/04/69/99/965046999.db2.gz NXVHYEMAPPKNMV-BXKDBHETSA-N 2 0 219.332 1.530 20 0 BDADRP C[C@@H]1C[C@@H](CNc2ccc(C[NH+](C)C)cn2)C[NH2+]1 ZINC001162553171 965045302 /nfs/dbraw/zinc/04/53/02/965045302.db2.gz WZNFYXHBRWCWSM-DGCLKSJQSA-N 2 0 248.374 1.553 20 0 BDADRP F[C@]1(CNc2cc[nH+]cc2)CCCC[NH2+]C1 ZINC001162574552 965051422 /nfs/dbraw/zinc/05/14/22/965051422.db2.gz ZNWNGWNFKDVNRY-GFCCVEGCSA-N 2 0 223.295 1.397 20 0 BDADRP CC[NH+](CC)CCOC1CC[NH+](CCF)CC1 ZINC001224929008 965106114 /nfs/dbraw/zinc/10/61/14/965106114.db2.gz YHFNJYFDEHGUBH-UHFFFAOYSA-N 2 0 246.370 1.779 20 0 BDADRP C[C@H]([NH3+])c1ccc(N[C@@H]2CC[NH2+][C@@H]2C)cc1 ZINC001162677242 965108037 /nfs/dbraw/zinc/10/80/37/965108037.db2.gz CBWHMRODEVVFNZ-OPQQBVKSSA-N 2 0 219.332 1.869 20 0 BDADRP C[C@H]1[NH2+]CC[C@H]1Nc1cccc2c1CC[C@H]2[NH3+] ZINC001162675774 965109316 /nfs/dbraw/zinc/10/93/16/965109316.db2.gz FNXITBSVBCLIMO-OASPWFOLSA-N 2 0 231.343 1.795 20 0 BDADRP C[C@H]([NH3+])c1ccc(N[C@@H]2CC[NH2+][C@@H]2C)cn1 ZINC001162681052 965117917 /nfs/dbraw/zinc/11/79/17/965117917.db2.gz VPPRTMFJCSKASX-YGOYTEALSA-N 2 0 220.320 1.264 20 0 BDADRP C/C=C(\NC=[NH2+])N1C[C@H]([NH3+])Cc2ccccc21 ZINC001162841981 965191774 /nfs/dbraw/zinc/19/17/74/965191774.db2.gz VNULSJGMGQTHNS-VGKSYTJBSA-N 2 0 230.315 1.434 20 0 BDADRP Cn1c[nH+]cc1N1C[C@@H]([NH3+])Cc2ccccc21 ZINC001162847471 965192843 /nfs/dbraw/zinc/19/28/43/965192843.db2.gz QVAAQPWWWUXQNK-NSHDSACASA-N 2 0 228.299 1.442 20 0 BDADRP CC(C)N(c1cc(N)cc[nH+]1)C(C)(C)C[NH3+] ZINC001163186579 965289363 /nfs/dbraw/zinc/28/93/63/965289363.db2.gz GYWHJNYMEOHYCW-UHFFFAOYSA-N 2 0 222.336 1.616 20 0 BDADRP c1cc2c(s1)[C@H](Nc1cc[nH+]cc1)C[NH2+]C2 ZINC001163220041 965309258 /nfs/dbraw/zinc/30/92/58/965309258.db2.gz KJMDGWLDOBHYQX-LLVKDONJSA-N 2 0 231.324 1.821 20 0 BDADRP Cc1[nH+]c(N(C)CC[NH3+])cc2[nH]ccc21 ZINC001163688310 965510581 /nfs/dbraw/zinc/51/05/81/965510581.db2.gz YJRJSBWIKVDGEV-UHFFFAOYSA-N 2 0 204.277 1.266 20 0 BDADRP C[C@H](C[NH+](C)C)Nc1ccc([C@@H]2CCC[NH2+]2)cn1 ZINC001163770180 965573964 /nfs/dbraw/zinc/57/39/64/965573964.db2.gz GZTYLDIEWRTLMT-YPMHNXCESA-N 2 0 248.374 1.868 20 0 BDADRP Cc1c(N)cc[nH+]c1N[C@H](C)C[NH+](C)C ZINC001163772472 965575917 /nfs/dbraw/zinc/57/59/17/965575917.db2.gz MXAHZZZRPDUMLN-MRVPVSSYSA-N 2 0 208.309 1.334 20 0 BDADRP C[C@H](C[N@@H+]1CCC[C@@H]([NH3+])CC1)C(F)(F)F ZINC001205094139 965722368 /nfs/dbraw/zinc/72/23/68/965722368.db2.gz IVSKNFCOHLFKOO-RKDXNWHRSA-N 2 0 224.270 1.998 20 0 BDADRP CC(C)N1CC([NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC000715177307 965770445 /nfs/dbraw/zinc/77/04/45/965770445.db2.gz WFWVPGXTFSVGQQ-UHFFFAOYSA-N 2 0 239.407 1.541 20 0 BDADRP Cc1ccncc1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205109748 965833525 /nfs/dbraw/zinc/83/35/25/965833525.db2.gz KZDVSFCKXUQIJP-ZDUSSCGKSA-N 2 0 219.332 1.703 20 0 BDADRP CC[C@@H]1COC[C@H]1[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000699497616 965922773 /nfs/dbraw/zinc/92/27/73/965922773.db2.gz WQSFCZRYPLKNAX-YRGRVCCFSA-N 2 0 238.375 1.485 20 0 BDADRP Nc1cc[nH+]c(N2CCC3(CC([NH3+])C3)CC2)c1 ZINC001165244458 966005715 /nfs/dbraw/zinc/00/57/15/966005715.db2.gz VLTCWJQZXQKPNA-UHFFFAOYSA-N 2 0 232.331 1.372 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccnc3[nH]ccc32)C[C@H]1C[NH3+] ZINC001205140892 966023253 /nfs/dbraw/zinc/02/32/53/966023253.db2.gz QLXAMIYHSDWJGB-CMPLNLGQSA-N 2 0 244.342 1.590 20 0 BDADRP CCC1([NH3+])CN(Cc2cccc(C[NH3+])c2)C1 ZINC001236187101 966306064 /nfs/dbraw/zinc/30/60/64/966306064.db2.gz YBUZUZFYPMAGGH-UHFFFAOYSA-N 2 0 219.332 1.068 20 0 BDADRP CCN(C)c1cc(C)[nH+]c(N2CCC([NH3+])CC2)n1 ZINC001166661725 966350972 /nfs/dbraw/zinc/35/09/72/966350972.db2.gz QHVWZTWPOZDFEP-UHFFFAOYSA-N 2 0 249.362 1.169 20 0 BDADRP C[N@H+]1CC[C@H]2C[NH+](C[C@@H]3CCCO3)C[C@H]2CC1 ZINC001276428853 966820653 /nfs/dbraw/zinc/82/06/53/966820653.db2.gz PSGRPTJHKRGIPZ-MJBXVCDLSA-N 2 0 238.375 1.439 20 0 BDADRP CC(C)(O)/C=C/c1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001239154438 966832267 /nfs/dbraw/zinc/83/22/67/966832267.db2.gz AIMMOHZWQYDIAY-HWKANZROSA-N 2 0 247.342 1.275 20 0 BDADRP CC(C)[C@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000084127163 966928115 /nfs/dbraw/zinc/92/81/15/966928115.db2.gz MSLBPHBVIHPQMT-FRRDWIJNSA-N 2 0 210.365 1.962 20 0 BDADRP Cc1ccnc(C[NH2+]C2CCC([NH+](C)C)CC2)n1 ZINC000715531519 967067301 /nfs/dbraw/zinc/06/73/01/967067301.db2.gz IRAQACWTGGWPCY-UHFFFAOYSA-N 2 0 248.374 1.747 20 0 BDADRP C[C@]1([NH3+])CC[N@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001204763231 967152868 /nfs/dbraw/zinc/15/28/68/967152868.db2.gz IKCHKUQWEBHGJO-LOWDOPEQSA-N 2 0 206.333 1.622 20 0 BDADRP C[C@]1([NH3+])CCN(Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001204789913 967169618 /nfs/dbraw/zinc/16/96/18/967169618.db2.gz DXRHFPVXGZXJAE-ZDUSSCGKSA-N 2 0 230.315 1.486 20 0 BDADRP C[NH+](C)C1CCC([NH2+]CC2(O)CCCC2)CC1 ZINC000715579641 967190228 /nfs/dbraw/zinc/19/02/28/967190228.db2.gz JVNAKYFAUUPOFU-UHFFFAOYSA-N 2 0 240.391 1.754 20 0 BDADRP COC(=O)C[C@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715582464 967192646 /nfs/dbraw/zinc/19/26/46/967192646.db2.gz GFEDVRBNHIOKTQ-UNXYVOJBSA-N 2 0 242.363 1.400 20 0 BDADRP C[C@@]1([NH3+])CCCN(C[C@H]([NH3+])Cc2ccccc2)C1 ZINC001204939469 967242914 /nfs/dbraw/zinc/24/29/14/967242914.db2.gz RRKRAPJOFVDYNH-HUUCEWRRSA-N 2 0 247.386 1.370 20 0 BDADRP C[C@@]1([NH3+])CCC[N@H+](CCCCCC[NH3+])C1 ZINC001204939451 967243035 /nfs/dbraw/zinc/24/30/35/967243035.db2.gz RLOUJVSYEUHVJU-GFCCVEGCSA-N 3 0 213.369 1.319 20 0 BDADRP C[N@@H+](CC1=CCCOC1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693560982 967263990 /nfs/dbraw/zinc/26/39/90/967263990.db2.gz BBXYDTAYKJFTLX-TXEJJXNPSA-N 2 0 210.321 1.002 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2cccc3n[nH]cc32)CC1 ZINC001205046732 967302686 /nfs/dbraw/zinc/30/26/86/967302686.db2.gz KQYCEKWRBRLVMU-UHFFFAOYSA-N 2 0 244.342 1.734 20 0 BDADRP CCc1cccc(C[NH+]2CCC(C[NH3+])CC2)n1 ZINC001205052775 967310265 /nfs/dbraw/zinc/31/02/65/967310265.db2.gz CWKQUCKCNROSIK-UHFFFAOYSA-N 2 0 233.359 1.815 20 0 BDADRP Cc1cnc(C[NH+]2CCC(C[NH3+])CC2)c(C)c1 ZINC001205057945 967315805 /nfs/dbraw/zinc/31/58/05/967315805.db2.gz APNXHLNPVZZMAN-UHFFFAOYSA-N 2 0 233.359 1.869 20 0 BDADRP C[C@H]1CC[C@@H](C[NH3+])N1Cc1ncn2ccccc12 ZINC001205075445 967327174 /nfs/dbraw/zinc/32/71/74/967327174.db2.gz KKPXRUPRDLHCDF-RYUDHWBXSA-N 2 0 244.342 1.646 20 0 BDADRP Cc1ccc(O)c(CN2[C@@H](C)CC[C@H]2C[NH3+])n1 ZINC001205076783 967327361 /nfs/dbraw/zinc/32/73/61/967327361.db2.gz WCJBNZVDRXTGEK-QWRGUYRKSA-N 2 0 235.331 1.407 20 0 BDADRP [NH3+][C@H]1CCC[N@H+](CC2CCSCC2)CC1 ZINC001205094588 967336326 /nfs/dbraw/zinc/33/63/26/967336326.db2.gz NCJIICAORPZBRY-LBPRGKRZSA-N 2 0 228.405 1.943 20 0 BDADRP [NH3+][C@@H]1CCC[N@H+](CC2CCSCC2)CC1 ZINC001205094587 967341070 /nfs/dbraw/zinc/34/10/70/967341070.db2.gz NCJIICAORPZBRY-GFCCVEGCSA-N 2 0 228.405 1.943 20 0 BDADRP Cc1cc(O)cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205146139 967389694 /nfs/dbraw/zinc/38/96/94/967389694.db2.gz QLLSUIZAAQAYEX-WCQYABFASA-N 2 0 234.343 1.727 20 0 BDADRP Cc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1O ZINC001205146385 967390645 /nfs/dbraw/zinc/39/06/45/967390645.db2.gz TUJHSMRWNVKHTF-WCQYABFASA-N 2 0 234.343 1.727 20 0 BDADRP C[C@@H]1C[C@@H](CO)C[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000691359762 967400717 /nfs/dbraw/zinc/40/07/17/967400717.db2.gz NMPXFWMZAYUTAM-TZMCWYRMSA-N 2 0 240.391 1.279 20 0 BDADRP [NH3+]C[C@]1(O)CCC[N@H+](CC2CCCCC2)CC1 ZINC001205212306 967428594 /nfs/dbraw/zinc/42/85/94/967428594.db2.gz YMGMUDYTGJHSHO-AWEZNQCLSA-N 2 0 240.391 1.742 20 0 BDADRP Cc1cc(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)ccn1 ZINC001205220619 967430919 /nfs/dbraw/zinc/43/09/19/967430919.db2.gz LSPGXGBNZZQVJJ-CQSZACIVSA-N 2 0 249.358 1.066 20 0 BDADRP C[C@]1([NH3+])CCC[N@H+](CCCCCO)CC1 ZINC001205255449 967445516 /nfs/dbraw/zinc/44/55/16/967445516.db2.gz IZCAYSSNKMQYKP-LBPRGKRZSA-N 2 0 214.353 1.352 20 0 BDADRP C[C@@]1([NH3+])CCCN(Cc2c[nH]cn2)CC1 ZINC001205265143 967458093 /nfs/dbraw/zinc/45/80/93/967458093.db2.gz NQAUOOGHRBNUKW-LLVKDONJSA-N 2 0 208.309 1.113 20 0 BDADRP [NH3+]C[C@@]1(F)CCC[N@H+](CC2CCC2)CC1 ZINC001205537120 967673742 /nfs/dbraw/zinc/67/37/42/967673742.db2.gz CWNLXNCJHHTWGG-GFCCVEGCSA-N 2 0 214.328 1.939 20 0 BDADRP [NH3+]C[C@]1(F)CCC[N@H+](C[C@H]2CCCOC2)CC1 ZINC001205538819 967678879 /nfs/dbraw/zinc/67/88/79/967678879.db2.gz PTTXDKRDKDZWKD-OLZOCXBDSA-N 2 0 244.354 1.566 20 0 BDADRP [NH3+]C[C@]1(F)CCC[N@H+](CC2CC2)CC1 ZINC001205539401 967679769 /nfs/dbraw/zinc/67/97/69/967679769.db2.gz YOGGVMZWASFTIE-NSHDSACASA-N 2 0 200.301 1.549 20 0 BDADRP Cc1ncc(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)[nH]1 ZINC001205579280 967705774 /nfs/dbraw/zinc/70/57/74/967705774.db2.gz LYUFEGFKNFVFTQ-LBPRGKRZSA-N 2 0 240.326 1.371 20 0 BDADRP C[C@@H]1CC[N@H+](CCCCCO)CC[C@H]1C[NH3+] ZINC001205603530 967719162 /nfs/dbraw/zinc/71/91/62/967719162.db2.gz PWMOZICGUBMEPM-OLZOCXBDSA-N 2 0 228.380 1.456 20 0 BDADRP Cc1cnc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)nc1 ZINC001205654546 967745588 /nfs/dbraw/zinc/74/55/88/967745588.db2.gz XEDIUVCVCSHLFN-CHWSQXEVSA-N 2 0 248.374 1.592 20 0 BDADRP Cc1nonc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205655366 967747025 /nfs/dbraw/zinc/74/70/25/967747025.db2.gz ZPFVIUMSOBLGDT-GXSJLCMTSA-N 2 0 238.335 1.185 20 0 BDADRP Cc1coc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)n1 ZINC001205655202 967748158 /nfs/dbraw/zinc/74/81/58/967748158.db2.gz YZSHKVMIRKJLQL-PWSUYJOCSA-N 2 0 237.347 1.790 20 0 BDADRP CC(C)(C)C[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205662456 967751841 /nfs/dbraw/zinc/75/18/41/967751841.db2.gz BBSGRQLEVWXYJC-GFCCVEGCSA-N 2 0 214.353 1.208 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2cnn3ccccc23)CC1 ZINC001205053462 967766658 /nfs/dbraw/zinc/76/66/58/967766658.db2.gz NKHIFLCECUESHJ-UHFFFAOYSA-N 2 0 244.342 1.505 20 0 BDADRP CCC[N@H+](CCC[NH+](C)C)C[C@H](C)OC ZINC001205697037 967786142 /nfs/dbraw/zinc/78/61/42/967786142.db2.gz RTVQFBRNZPQXAH-LBPRGKRZSA-N 2 0 216.369 1.685 20 0 BDADRP C[NH+](C)Cc1cccc(N[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC001162396486 967826521 /nfs/dbraw/zinc/82/65/21/967826521.db2.gz JYBYCHUTMUXVPO-NEPJUHHUSA-N 2 0 248.374 1.825 20 0 BDADRP C[NH+](C)Cc1cccc(N[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC001162396489 967826890 /nfs/dbraw/zinc/82/68/90/967826890.db2.gz JYBYCHUTMUXVPO-VXGBXAGGSA-N 2 0 248.374 1.825 20 0 BDADRP C[C@H]1CC[C@H](C[NH3+])N(Cc2cccc(C[NH3+])c2)C1 ZINC001205842932 967850303 /nfs/dbraw/zinc/85/03/03/967850303.db2.gz PYDJZYVCCLWSPM-SWLSCSKDSA-N 2 0 247.386 1.705 20 0 BDADRP C[C@@H]1C[N@H+](CC2CCOCC2)CCC[C@@H]1C[NH3+] ZINC001205981137 967922677 /nfs/dbraw/zinc/92/26/77/967922677.db2.gz BUYCPSSMAKVLLK-TZMCWYRMSA-N 2 0 240.391 1.720 20 0 BDADRP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)no1 ZINC001205996085 967945906 /nfs/dbraw/zinc/94/59/06/967945906.db2.gz UOEJNXXVKBXDRU-PWSUYJOCSA-N 2 0 237.347 1.790 20 0 BDADRP Cc1nc[nH]c1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205993422 967946385 /nfs/dbraw/zinc/94/63/85/967946385.db2.gz HPSJVKNTHLUXTL-CMPLNLGQSA-N 2 0 236.363 1.525 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cncs2)CCC[C@@H]1C[NH3+] ZINC001205996767 967947424 /nfs/dbraw/zinc/94/74/24/967947424.db2.gz YGEZUZZGWPNEKO-GHMZBOCLSA-N 2 0 239.388 1.950 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cncs2)CCC[C@H]1C[NH3+] ZINC001205996768 967953947 /nfs/dbraw/zinc/95/39/47/967953947.db2.gz YGEZUZZGWPNEKO-MNOVXSKESA-N 2 0 239.388 1.950 20 0 BDADRP Cc1nccnc1C[N@@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206003695 967956470 /nfs/dbraw/zinc/95/64/70/967956470.db2.gz LJITUMPZFVQSEM-DGCLKSJQSA-N 2 0 248.374 1.592 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccncn2)CCC[C@@H]1C[NH3+] ZINC001206003901 967961819 /nfs/dbraw/zinc/96/18/19/967961819.db2.gz NKHFSXQWGAPMEU-VXGBXAGGSA-N 2 0 234.347 1.283 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cccnc2N)CCC[C@H]1C[NH3+] ZINC001206014768 967967914 /nfs/dbraw/zinc/96/79/14/967967914.db2.gz XZPRXOOLIOLXQM-NEPJUHHUSA-N 2 0 248.374 1.471 20 0 BDADRP Cc1cnc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)nc1 ZINC001206022748 967985730 /nfs/dbraw/zinc/98/57/30/967985730.db2.gz CQDDKIQJBIVOAW-CHWSQXEVSA-N 2 0 248.374 1.592 20 0 BDADRP C[C@@H]1CCN(Cc2ccc3c(c2)CCN3)C[C@H]1[NH3+] ZINC001206043475 968008833 /nfs/dbraw/zinc/00/88/33/968008833.db2.gz GNEWCORVRVPAHV-BXUZGUMPSA-N 2 0 245.370 1.824 20 0 BDADRP Cc1nc(NCC2([NH3+])CCC2)cc(N(C)C)[nH+]1 ZINC001163322737 968015769 /nfs/dbraw/zinc/01/57/69/968015769.db2.gz ZHVHSHJRUSCVED-UHFFFAOYSA-N 2 0 235.335 1.144 20 0 BDADRP [NH3+][C@@H]1CN(CC[C@@H]2CCCC[NH2+]2)CC(F)(F)C1 ZINC001206117120 968071593 /nfs/dbraw/zinc/07/15/93/968071593.db2.gz JKLCJCCCZRSIBN-QWRGUYRKSA-N 2 0 247.333 1.187 20 0 BDADRP CO[C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000699316111 968078951 /nfs/dbraw/zinc/07/89/51/968078951.db2.gz WTSNQIJWTDPTQI-PSEXLTFBSA-N 2 0 224.348 1.238 20 0 BDADRP C[C@H](CCO)[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000685979269 968173436 /nfs/dbraw/zinc/17/34/36/968173436.db2.gz RIDGQIWSYHMDLJ-GRYCIOLGSA-N 2 0 214.353 1.220 20 0 BDADRP CC(C)N(CCC[NH3+])c1ccc2c(n1)C[NH2+]CC2 ZINC001164121422 968175739 /nfs/dbraw/zinc/17/57/39/968175739.db2.gz LQRNSDWFYVMLTR-UHFFFAOYSA-N 2 0 248.374 1.291 20 0 BDADRP C[NH+](C)CCCO[C@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001206302164 968210920 /nfs/dbraw/zinc/21/09/20/968210920.db2.gz FDVXYXXLJZNEAV-WDNDVIMCSA-N 2 0 240.391 1.685 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2cncnc2)CC1 ZINC001206304197 968211574 /nfs/dbraw/zinc/21/15/74/968211574.db2.gz HDVQRCFIRFMQCB-ZDUSSCGKSA-N 2 0 234.347 1.428 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2cnccc2N)CC1 ZINC001206305423 968215476 /nfs/dbraw/zinc/21/54/76/968215476.db2.gz ZAAIXCPPGQXSSD-AWEZNQCLSA-N 2 0 248.374 1.445 20 0 BDADRP CC1(C[N@@H+]2CCCC[C@@](F)(CN)C2)COC1 ZINC001206334932 968236883 /nfs/dbraw/zinc/23/68/83/968236883.db2.gz AYQQTIKXEFPTKC-GFCCVEGCSA-N 2 0 230.327 1.176 20 0 BDADRP NC[C@@]1(F)CCCC[N@H+](CCCCCC[NH3+])C1 ZINC001206334926 968237613 /nfs/dbraw/zinc/23/76/13/968237613.db2.gz AVGSZKDGEJCKCB-ZDUSSCGKSA-N 3 0 245.386 1.658 20 0 BDADRP C[NH+](C)CCCCC[NH2+]C[C@H](O)C(F)(F)F ZINC001250987767 968238301 /nfs/dbraw/zinc/23/83/01/968238301.db2.gz ZDTVMAXWKGLRQZ-VIFPVBQESA-N 2 0 242.285 1.231 20 0 BDADRP NC[C@]1(F)CCCC[N@H+](CCCCC[NH3+])C1 ZINC001206336133 968240941 /nfs/dbraw/zinc/24/09/41/968240941.db2.gz KBIFGALCYCIETP-GFCCVEGCSA-N 2 0 231.359 1.268 20 0 BDADRP [NH3+]C[C@H]1C[N@H+](CCC2CCCCC2)C[C@H]1O ZINC001206457524 968317640 /nfs/dbraw/zinc/31/76/40/968317640.db2.gz RJTJSTNAFBGXFA-QWHCGFSZSA-N 2 0 226.364 1.208 20 0 BDADRP [NH3+]C[C@H]1C[N@H+](Cc2cccc3ccoc32)C[C@H]1O ZINC001206480979 968333717 /nfs/dbraw/zinc/33/37/17/968333717.db2.gz NQTSVRQTYGWTRU-QWHCGFSZSA-N 2 0 246.310 1.184 20 0 BDADRP CC(C)(F)CC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000698338876 968340816 /nfs/dbraw/zinc/34/08/16/968340816.db2.gz FJWSMJWGDPOSHW-NGDQXYMTSA-N 2 0 226.339 1.711 20 0 BDADRP [NH3+]C[C@H]1C[N@H+](CC2CCC(F)(F)CC2)C[C@@H]1O ZINC001206507041 968343865 /nfs/dbraw/zinc/34/38/65/968343865.db2.gz YARGLMSLSAFFFW-QWRGUYRKSA-N 2 0 248.317 1.063 20 0 BDADRP C[C@@]1(C[NH3+])CCCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC001206541993 968368329 /nfs/dbraw/zinc/36/83/29/968368329.db2.gz OQYQLAQQPIWFQR-AWEZNQCLSA-N 3 0 239.407 1.437 20 0 BDADRP C[C@]1(C[NH3+])CCCC[N@H+](Cc2ncccc2N)C1 ZINC001206547172 968371971 /nfs/dbraw/zinc/37/19/71/968371971.db2.gz CKDQZZOFOGNVRP-CQSZACIVSA-N 2 0 248.374 1.615 20 0 BDADRP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ccncc2[O-])C1 ZINC001206555992 968379896 /nfs/dbraw/zinc/37/98/96/968379896.db2.gz LTOSLHZTBVGRRB-AWEZNQCLSA-N 2 0 249.358 1.738 20 0 BDADRP [NH3+]C[C@H]1CCCCN(C[C@@H]2CCCC[NH2+]2)C1 ZINC001206606548 968415414 /nfs/dbraw/zinc/41/54/14/968415414.db2.gz OYYYYJZAZBVSNO-OLZOCXBDSA-N 2 0 225.380 1.189 20 0 BDADRP [NH3+]CCCCC[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206606043 968416830 /nfs/dbraw/zinc/41/68/30/968416830.db2.gz BJWJVDRGWRSRLC-GFCCVEGCSA-N 2 0 213.369 1.176 20 0 BDADRP CC1(C[NH3+])CN(Cc2cccc3c[nH+]cn32)C1 ZINC001206738218 968452156 /nfs/dbraw/zinc/45/21/56/968452156.db2.gz XNRMEIHNESFSOM-UHFFFAOYSA-N 2 0 230.315 1.115 20 0 BDADRP CC[NH+]1CCC(C[NH+]2CC3(CCN3C)C2)CC1 ZINC001276492673 968470338 /nfs/dbraw/zinc/47/03/38/968470338.db2.gz XWAQBNLKBLPRPP-UHFFFAOYSA-N 2 0 237.391 1.108 20 0 BDADRP C[NH+](C)CC(C)(C)CN1CCC2(C[NH+](C)C2)C1 ZINC001207288593 968719161 /nfs/dbraw/zinc/71/91/61/968719161.db2.gz SXWWCMXWPACQCD-UHFFFAOYSA-N 2 0 239.407 1.212 20 0 BDADRP C[NH+](C)CC(C)(C)C[N@H+](C)CC1(C)COC1 ZINC001207285917 968719687 /nfs/dbraw/zinc/71/96/87/968719687.db2.gz QJGNVORDKIAVJX-UHFFFAOYSA-N 2 0 228.380 1.543 20 0 BDADRP COC[C@@H]1CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC001207394771 968749661 /nfs/dbraw/zinc/74/96/61/968749661.db2.gz LZKDUPDOXLSKKM-CYBMUJFWSA-N 2 0 226.364 1.297 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CC[C@H]3OCC[C@H]32)CC1 ZINC001207394744 968749818 /nfs/dbraw/zinc/74/98/18/968749818.db2.gz LOYNHEUAFFXCLD-CHWSQXEVSA-N 2 0 224.348 1.191 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCC3(CC3)C2)CC1 ZINC001207395781 968749903 /nfs/dbraw/zinc/74/99/03/968749903.db2.gz XKABTRHPWNXDOB-UHFFFAOYSA-N 2 0 208.349 1.814 20 0 BDADRP CCCOC1C[NH+](CC2CC[NH+](C)CC2)C1 ZINC001207398244 968751197 /nfs/dbraw/zinc/75/11/97/968751197.db2.gz BQHKSZIXRJIFRY-UHFFFAOYSA-N 2 0 226.364 1.439 20 0 BDADRP CCN1C[C@@H]2C[C@H]1C[N@@H+]2CC1CC[NH+](C)CC1 ZINC001207402846 968757209 /nfs/dbraw/zinc/75/72/09/968757209.db2.gz OQHUXHFLZBTMRJ-KBPBESRZSA-N 2 0 237.391 1.107 20 0 BDADRP C[C@H]1CC[N@H+](CC2CC[NH2+]CC2)CC[C@]1(C)O ZINC001207436329 968768727 /nfs/dbraw/zinc/76/87/27/968768727.db2.gz FEVYGLMRNWHRMM-JSGCOSHPSA-N 2 0 240.391 1.469 20 0 BDADRP c1ccc(OC2C[NH+](CC3CC[NH2+]CC3)C2)cc1 ZINC001207438091 968770497 /nfs/dbraw/zinc/77/04/97/968770497.db2.gz WTEPAMJZPLYVAY-UHFFFAOYSA-N 2 0 246.354 1.749 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001207436255 968770803 /nfs/dbraw/zinc/77/08/03/968770803.db2.gz YVQNDGNPYYFQPB-KBPBESRZSA-N 2 0 238.375 1.487 20 0 BDADRP FC[C@@H]1C[C@H](F)C[N@@H+]1CC1CC[NH2+]CC1 ZINC001207436491 968771276 /nfs/dbraw/zinc/77/12/76/968771276.db2.gz KHQQUZHPGFPHDO-QWRGUYRKSA-N 2 0 218.291 1.368 20 0 BDADRP CC(C)C[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC000336683099 968838405 /nfs/dbraw/zinc/83/84/05/968838405.db2.gz SDCKOYCZYRYPAX-UHFFFAOYSA-N 2 0 227.396 1.212 20 0 BDADRP CC[NH+]1CCC(C[NH2+]CCC(F)F)CC1 ZINC001207787383 968881798 /nfs/dbraw/zinc/88/17/98/968881798.db2.gz JQYPZWHWSANHGE-UHFFFAOYSA-N 2 0 220.307 1.963 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCCn3cccn3)C2)C1 ZINC001208077528 968979219 /nfs/dbraw/zinc/97/92/19/968979219.db2.gz HEGJFGVZODXAAL-CQSZACIVSA-N 2 0 248.374 1.301 20 0 BDADRP CCC[C@@H](O)C[NH2+]CCc1c[nH]c2cc[nH+]cc12 ZINC001252806254 968995012 /nfs/dbraw/zinc/99/50/12/968995012.db2.gz ROKAQETWCOXSQF-GFCCVEGCSA-N 2 0 247.342 1.856 20 0 BDADRP C[NH+]1CCC(C)(C[N@@H+]2CC[C@@H](F)[C@H](O)C2)CC1 ZINC001208107753 969000591 /nfs/dbraw/zinc/00/05/91/969000591.db2.gz KBCHBHWSNLUSFW-VXGBXAGGSA-N 2 0 244.354 1.123 20 0 BDADRP CO[C@@H]1CCC[N@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208105581 969001747 /nfs/dbraw/zinc/00/17/47/969001747.db2.gz YJQJPHIMYJCUQS-CYBMUJFWSA-N 2 0 240.391 1.829 20 0 BDADRP C[NH+]1CCC(C)(C[NH+]2CC3(COC3)C2)CC1 ZINC001208105483 969002995 /nfs/dbraw/zinc/00/29/95/969002995.db2.gz VUSACQWVGCLRNU-UHFFFAOYSA-N 2 0 224.348 1.051 20 0 BDADRP C[NH+]1CCC(C)(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)CC1 ZINC001208106959 969003139 /nfs/dbraw/zinc/00/31/39/969003139.db2.gz HXFFWFCXMJPKLY-VXGBXAGGSA-N 2 0 244.354 1.123 20 0 BDADRP C[N@H+](Cc1cncnc1)CC1(C)CC[NH+](C)CC1 ZINC001208115761 969010227 /nfs/dbraw/zinc/01/02/27/969010227.db2.gz MWXSPQGBRULIMS-UHFFFAOYSA-N 2 0 248.374 1.640 20 0 BDADRP C[N@@H+]1CCC=C(c2ccccc2C[NH3+])C1 ZINC001241571126 969067988 /nfs/dbraw/zinc/06/79/88/969067988.db2.gz TYKXZFKKTSHDBY-UHFFFAOYSA-N 2 0 202.301 1.864 20 0 BDADRP COCC1C[NH+](CC2(C[NH+](C)C)CCCC2)C1 ZINC001208182398 969113035 /nfs/dbraw/zinc/11/30/35/969113035.db2.gz PHLTZTADGQDAEO-UHFFFAOYSA-N 2 0 240.391 1.687 20 0 BDADRP CC(C)(C)N1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000089749240 969142702 /nfs/dbraw/zinc/14/27/02/969142702.db2.gz PKTFIDYZCYUTJV-ZDUSSCGKSA-N 2 0 239.407 1.402 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@H](O)CC2)CC1 ZINC001208593681 969148146 /nfs/dbraw/zinc/14/81/46/969148146.db2.gz ZIPTVDRXYGJXTG-AWEZNQCLSA-N 2 0 240.391 1.565 20 0 BDADRP CC[NH+]1CCC(C[N@H+](C)[C@@H]2CCOC2)CC1 ZINC001208597405 969152472 /nfs/dbraw/zinc/15/24/72/969152472.db2.gz HDKSETKGNRCLHK-CYBMUJFWSA-N 2 0 226.364 1.439 20 0 BDADRP CC[NH+]1CCC(C[N@H+](C)[C@H]2CCCOC2)CC1 ZINC001208605082 969158652 /nfs/dbraw/zinc/15/86/52/969158652.db2.gz YJFUMCGNRWPQLC-AWEZNQCLSA-N 2 0 240.391 1.829 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H](O)C2)C1 ZINC001208607656 969165138 /nfs/dbraw/zinc/16/51/38/969165138.db2.gz MLWXGMJSNYTBFU-QWHCGFSZSA-N 2 0 226.364 1.175 20 0 BDADRP [NH3+]CCN(c1cccnc1)c1cc(C[NH3+])ccn1 ZINC001168830978 969227912 /nfs/dbraw/zinc/22/79/12/969227912.db2.gz CQLIUQGZGQHPIL-UHFFFAOYSA-N 2 0 243.314 1.032 20 0 BDADRP Cc1cnc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cn1 ZINC001205996050 969324722 /nfs/dbraw/zinc/32/47/22/969324722.db2.gz UFPDFOBMSQATQY-YPMHNXCESA-N 2 0 248.374 1.592 20 0 BDADRP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](NC[C@H]1CCC[N@H+]1C)C2 ZINC001169094063 969383144 /nfs/dbraw/zinc/38/31/44/969383144.db2.gz KPVJYQLYUFYEDH-XJFOESAGSA-N 2 0 237.391 1.295 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H]1CCCOC1)C2 ZINC001169094547 969383550 /nfs/dbraw/zinc/38/35/50/969383550.db2.gz MKJBPCYVSRPMMB-FQUUOJAGSA-N 2 0 238.375 1.628 20 0 BDADRP CN1CCC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169095724 969385329 /nfs/dbraw/zinc/38/53/29/969385329.db2.gz SBEMULHCOIGAJT-YIYPIFLZSA-N 2 0 237.391 1.295 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C13CC(C1)C3)C2 ZINC001169093186 969387840 /nfs/dbraw/zinc/38/78/40/969387840.db2.gz FYKPUEZDJDYKEF-GBRWGWLFSA-N 2 0 206.333 1.754 20 0 BDADRP CCC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)COC1 ZINC001169099468 969393234 /nfs/dbraw/zinc/39/32/34/969393234.db2.gz SPPZDVCQEQPRLV-CLLJXQQHSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@H]1OCC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169078754 969397135 /nfs/dbraw/zinc/39/71/35/969397135.db2.gz FYQIRSCWRDWBLW-UJPOAAIJSA-N 2 0 224.348 1.379 20 0 BDADRP CC(C)[C@@H](O)C[NH2+]CCCC[NH+]1CCCC1 ZINC001253777843 969399138 /nfs/dbraw/zinc/39/91/38/969399138.db2.gz UDVIRAFFPNRUDS-ZDUSSCGKSA-N 2 0 228.380 1.469 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H]1CCCCO1)C2 ZINC001169091470 969407275 /nfs/dbraw/zinc/40/72/75/969407275.db2.gz RWSTUJCCYRSBHP-CRWXNKLISA-N 2 0 238.375 1.770 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCC(C)(C)O)C2 ZINC001169092124 969407470 /nfs/dbraw/zinc/40/74/70/969407470.db2.gz YAQBMSGADBIADL-CNDDSTCGSA-N 2 0 226.364 1.362 20 0 BDADRP CCCC[C@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169091859 969407736 /nfs/dbraw/zinc/40/77/36/969407736.db2.gz WISAZADYZWVBHD-YIYPIFLZSA-N 2 0 240.391 1.752 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1CCC[C@@H]1[NH3+])C2 ZINC001169124338 969417643 /nfs/dbraw/zinc/41/76/43/969417643.db2.gz PPXQENUNSYJKMO-FPYNETTCSA-N 2 0 223.364 1.081 20 0 BDADRP C[N@H+](C1CCOCC1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169125888 969424510 /nfs/dbraw/zinc/42/45/10/969424510.db2.gz NDPLQYHRSWMZNX-WDNDVIMCSA-N 2 0 238.375 1.722 20 0 BDADRP COC[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169124926 969426915 /nfs/dbraw/zinc/42/69/15/969426915.db2.gz HDVTWVTYNWWWPY-YIYPIFLZSA-N 2 0 238.375 1.580 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@H](F)[C@@H](O)C1)C2 ZINC001169126832 969429858 /nfs/dbraw/zinc/42/98/58/969429858.db2.gz XXWBAOSZXDVMSB-QWQWKMKNSA-N 2 0 242.338 1.016 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@](C)(O)C1)C2 ZINC001169127139 969434795 /nfs/dbraw/zinc/43/47/95/969434795.db2.gz ZYTKEHUATOLYML-RNJOBUHISA-N 2 0 224.348 1.068 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@H]3OCC[C@H]31)C2 ZINC001169129223 969435795 /nfs/dbraw/zinc/43/57/95/969435795.db2.gz IOSOBCMVDFKETL-XVIXHAIJSA-N 2 0 236.359 1.475 20 0 BDADRP C[C@@H](C[NH3+])CN(C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169110521 969449794 /nfs/dbraw/zinc/44/97/94/969449794.db2.gz MANUGRIDDQCYCI-RVMXOQNASA-N 2 0 225.380 1.138 20 0 BDADRP CC[NH+]1CCC(n2cc3c(n2)CC[C@@H]([NH3+])C3)CC1 ZINC001169231177 969504801 /nfs/dbraw/zinc/50/48/01/969504801.db2.gz UOKMMKJCYQNIBY-GFCCVEGCSA-N 2 0 248.374 1.356 20 0 BDADRP CC[NH+]1CCC([NH2+]CCCC(OC)OC)CC1 ZINC001169233385 969514687 /nfs/dbraw/zinc/51/46/87/969514687.db2.gz PJUGVJBSLKSJNH-UHFFFAOYSA-N 2 0 244.379 1.459 20 0 BDADRP CC[NH+]1CCC(N(CC[NH2+]C)C(C)(C)C)CC1 ZINC001169264330 969517708 /nfs/dbraw/zinc/51/77/08/969517708.db2.gz KILSPIZSNUZFLC-UHFFFAOYSA-N 2 0 241.423 1.791 20 0 BDADRP CCC[NH+](CCC)Cc1cn([C@@H](C)C[NH3+])nn1 ZINC001254162450 969528221 /nfs/dbraw/zinc/52/82/21/969528221.db2.gz LRXRJTLHCAWYPE-NSHDSACASA-N 2 0 239.367 1.420 20 0 BDADRP C[NH+](C)[C@H]1CC[C@@H]([NH2+][C@@H]2CCCOC2)CC1 ZINC001254375759 969593083 /nfs/dbraw/zinc/59/30/83/969593083.db2.gz RYTRIOGSDLRLIY-UPJWGTAASA-N 2 0 226.364 1.628 20 0 BDADRP COC(CCC[NH2+][C@H]1CCC[N@H+](C)CC1)OC ZINC001254507355 969647163 /nfs/dbraw/zinc/64/71/63/969647163.db2.gz ARZLOEWAWUHISX-LBPRGKRZSA-N 2 0 244.379 1.459 20 0 BDADRP CCOC(=O)C[C@@H](C)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001254499808 969662330 /nfs/dbraw/zinc/66/23/30/969662330.db2.gz AXHIQCHAJBZYFB-VXGBXAGGSA-N 2 0 242.363 1.402 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+]C[C@H](O)c2ccccn2)CC1 ZINC001254506245 969675983 /nfs/dbraw/zinc/67/59/83/969675983.db2.gz QAFFWPJFXMPVKV-JSGCOSHPSA-N 2 0 249.358 1.189 20 0 BDADRP C[C@H](Cc1cnccn1)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001254504598 969676136 /nfs/dbraw/zinc/67/61/36/969676136.db2.gz VMRHBLYMRBPTJL-OLZOCXBDSA-N 2 0 248.374 1.482 20 0 BDADRP CCOC(=O)[C@@H](C)C[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001254507484 969679487 /nfs/dbraw/zinc/67/94/87/969679487.db2.gz BZYUPYXCRIVGBS-RYUDHWBXSA-N 2 0 242.363 1.260 20 0 BDADRP C[N@@H+]1CCC[C@@H](NC(C)(C)C(C)(C)[NH3+])CC1 ZINC001254508126 969681121 /nfs/dbraw/zinc/68/11/21/969681121.db2.gz GXBPZBPAYOJBOF-LLVKDONJSA-N 2 0 227.396 1.576 20 0 BDADRP C[N@@H+]1CCC[C@H](n2ccnc2CCC[NH3+])CC1 ZINC001254514045 969682816 /nfs/dbraw/zinc/68/28/16/969682816.db2.gz IQPZVMUDXQEOTI-LBPRGKRZSA-N 2 0 236.363 1.431 20 0 BDADRP CC(C)N([C@H]1CCC[N@H+](C)CC1)C(C)(C)C[NH3+] ZINC001254514388 969688911 /nfs/dbraw/zinc/68/89/11/969688911.db2.gz KXMGDEKIZRDLSA-ZDUSSCGKSA-N 2 0 241.423 1.918 20 0 BDADRP CC[N@H+](CCOC)[C@@H]1CCC[NH+](C)CC1 ZINC001254515842 969690235 /nfs/dbraw/zinc/69/02/35/969690235.db2.gz DXIQTRGXFAMRIB-GFCCVEGCSA-N 2 0 214.353 1.439 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH+]2CC3(C2)CCOC3)CC1 ZINC001254516393 969690579 /nfs/dbraw/zinc/69/05/79/969690579.db2.gz MHHUORGSYAWGDF-LBPRGKRZSA-N 2 0 224.348 1.193 20 0 BDADRP C[C@@H]1C[N@@H+]([C@@H]2CCC[NH+](C)CC2)CCC[C@@H]1O ZINC001254517655 969703185 /nfs/dbraw/zinc/70/31/85/969703185.db2.gz XPYVHZUVQIRDGM-MCIONIFRSA-N 2 0 240.391 1.564 20 0 BDADRP CCCO[C@@H]1CC[N@@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254524698 969720692 /nfs/dbraw/zinc/72/06/92/969720692.db2.gz YTCPVYPCMFJMPB-ZIAGYGMSSA-N 2 0 240.391 1.972 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH+]2CCC[C@]23CCOC3)CC1 ZINC001254529166 969722406 /nfs/dbraw/zinc/72/24/06/969722406.db2.gz KMVFXQGSWIUJQM-UONOGXRCSA-N 2 0 238.375 1.726 20 0 BDADRP Cc1cc(Nc2c[nH+]c(N)cc2C)cc[nH+]1 ZINC001209962571 969724535 /nfs/dbraw/zinc/72/45/35/969724535.db2.gz XDVNTTBKCRXAMU-UHFFFAOYSA-N 2 0 214.272 1.841 20 0 BDADRP COC[C@H]1CC[N@@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254534238 969729320 /nfs/dbraw/zinc/72/93/20/969729320.db2.gz UWVQFITZLMXOCY-VXGBXAGGSA-N 2 0 212.337 1.191 20 0 BDADRP C/C=C(\NC=[NH2+])N1CCCc2ccc(C[NH3+])nc21 ZINC001169584157 969785326 /nfs/dbraw/zinc/78/53/26/969785326.db2.gz KLPHXOOUMJPDPK-SWGQDTFXSA-N 2 0 245.330 1.351 20 0 BDADRP C[C@H]([NH3+])c1nccn1[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254832947 969795985 /nfs/dbraw/zinc/79/59/85/969795985.db2.gz KWRHMTXZONCQAJ-CMPLNLGQSA-N 2 0 234.347 1.560 20 0 BDADRP [NH3+]CCc1ccccc1-n1ccc(C[NH3+])c1 ZINC001169725291 969817842 /nfs/dbraw/zinc/81/78/42/969817842.db2.gz DVPFRZDAHCCSMG-UHFFFAOYSA-N 2 0 215.300 1.437 20 0 BDADRP [NH3+]CCSCC[NH2+]C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254936595 969827858 /nfs/dbraw/zinc/82/78/58/969827858.db2.gz VNRXLEOOHMUYRK-NXEZZACHSA-N 2 0 242.388 1.026 20 0 BDADRP C[NH+](C)[C@H]1CC[C@H]([NH2+]C2CCOCC2)CC1 ZINC001255035505 969857052 /nfs/dbraw/zinc/85/70/52/969857052.db2.gz GPTACMDTCWNBPR-AULYBMBSSA-N 2 0 226.364 1.628 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCN[C@@H](Cc2ccccc2)C1 ZINC001210311410 969861719 /nfs/dbraw/zinc/86/17/19/969861719.db2.gz JNIAJWROWRDEFX-HNNXBMFYSA-N 2 0 247.386 1.242 20 0 BDADRP CCC[NH+]1C[C@@H]2C[NH+](C3CCOCC3)C[C@H]2C1 ZINC001255047141 969866692 /nfs/dbraw/zinc/86/66/92/969866692.db2.gz KLLYWGRCQOPMSA-CHWSQXEVSA-N 2 0 238.375 1.439 20 0 BDADRP C[C@H]1CCN(CC[C@@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001210474074 969899045 /nfs/dbraw/zinc/89/90/45/969899045.db2.gz DFZCJUCDDOXQEQ-STQMWFEESA-N 2 0 225.380 1.202 20 0 BDADRP C[C@H]1CCN(C[C@H]([NH3+])Cc2ccccc2)CC[NH2+]1 ZINC001210476913 969899327 /nfs/dbraw/zinc/89/93/27/969899327.db2.gz YNYOFGANAVQALV-DZGCQCFKSA-N 2 0 247.386 1.240 20 0 BDADRP C[C@@H]1CCN(CC[C@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001210474071 969900669 /nfs/dbraw/zinc/90/06/69/969900669.db2.gz DFZCJUCDDOXQEQ-CHWSQXEVSA-N 2 0 225.380 1.202 20 0 BDADRP CN1CCC[C@H]2C[N@@H+](C3CCSCC3)C[C@H]21 ZINC001255094768 969930162 /nfs/dbraw/zinc/93/01/62/969930162.db2.gz KHHZPYNSOPVNQW-WCQYABFASA-N 2 0 240.416 1.908 20 0 BDADRP CN(OCC[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001255103229 969938845 /nfs/dbraw/zinc/93/88/45/969938845.db2.gz VATMSUULABDQHC-AWEZNQCLSA-N 2 0 249.358 1.083 20 0 BDADRP [NH3+]C1(c2ccc(NC[C@H]3COCC[NH2+]3)cc2)CC1 ZINC001170043359 970063216 /nfs/dbraw/zinc/06/32/16/970063216.db2.gz GSGSPHJVRYFQFS-ZDUSSCGKSA-N 2 0 247.342 1.035 20 0 BDADRP C[C@H]([NH3+])c1nc2ccccc2n1[C@H]1CC[N@H+](C)C1 ZINC001255412207 970130262 /nfs/dbraw/zinc/13/02/62/970130262.db2.gz MEYLTPKPWSCUSD-QWRGUYRKSA-N 2 0 244.342 1.933 20 0 BDADRP C[N@@H+]1CC[C@H](N(C(N)=[NH2+])c2ccc(F)cc2)C1 ZINC001255415270 970134776 /nfs/dbraw/zinc/13/47/76/970134776.db2.gz GRGUUBALCUYFOT-NSHDSACASA-N 2 0 236.294 1.230 20 0 BDADRP C[N@@H+]1CC[C@H](N(C(N)=[NH2+])c2ccccc2)C1 ZINC001255415268 970137025 /nfs/dbraw/zinc/13/70/25/970137025.db2.gz GNTKNYGRHAJGGD-NSHDSACASA-N 2 0 218.304 1.091 20 0 BDADRP CC[NH+](CC)C1CCN([C@H]2CC[N@H+](C)C2)CC1 ZINC001255435289 970158934 /nfs/dbraw/zinc/15/89/34/970158934.db2.gz DFMLQCJSSCBMKX-AWEZNQCLSA-N 2 0 239.407 1.497 20 0 BDADRP C[NH2+]Cc1cccc(-n2c[nH+]c(C)c2N)c1 ZINC001211136486 970159888 /nfs/dbraw/zinc/15/98/88/970159888.db2.gz JFWDKIKFEMROKR-UHFFFAOYSA-N 2 0 216.288 1.482 20 0 BDADRP C[N@@H+]1CC[C@@H](N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC001255436116 970162662 /nfs/dbraw/zinc/16/26/62/970162662.db2.gz PCNFBMSLGUCKSK-ZIAGYGMSSA-N 2 0 237.391 1.251 20 0 BDADRP CCC[NH+](CCC)CCN[C@@H]1CCC[N@H+](C)C1 ZINC001255468275 970194217 /nfs/dbraw/zinc/19/42/17/970194217.db2.gz RPDWSTRATNKXNA-CQSZACIVSA-N 2 0 241.423 1.792 20 0 BDADRP C[N@@H+]1CCC[C@H](N2C[C@@H](C[NH3+])c3ccccc32)C1 ZINC001255472854 970200241 /nfs/dbraw/zinc/20/02/41/970200241.db2.gz JFJIZMIDJQGHOM-OLZOCXBDSA-N 2 0 245.370 1.643 20 0 BDADRP C[N@@H+]1CCC[C@@H](N2C[C@@H](C[NH3+])c3ccccc32)C1 ZINC001255472853 970200984 /nfs/dbraw/zinc/20/09/84/970200984.db2.gz JFJIZMIDJQGHOM-CHWSQXEVSA-N 2 0 245.370 1.643 20 0 BDADRP C[N@@H+]1CCC[C@H](n2nnc3ccc(C[NH3+])cc32)C1 ZINC001255471812 970201680 /nfs/dbraw/zinc/20/16/80/970201680.db2.gz HGDXPSBBUVFCCS-NSHDSACASA-N 2 0 245.330 1.157 20 0 BDADRP C[N@@H+]1CCC[C@@H](Nc2ccc(C[NH3+])c(F)c2)C1 ZINC001255477596 970211348 /nfs/dbraw/zinc/21/13/48/970211348.db2.gz NXZWGKSTTWRCJF-GFCCVEGCSA-N 2 0 237.322 1.791 20 0 BDADRP C[NH2+]Cc1cccc(N[C@H]2CCC[N@H+](C)C2)c1 ZINC001255490804 970245244 /nfs/dbraw/zinc/24/52/44/970245244.db2.gz YAXOCFMCURMDQC-AWEZNQCLSA-N 2 0 233.359 1.912 20 0 BDADRP CCN(CCC[NH+](C)C)[C@H]1CCC[N@H+](C)C1 ZINC001255495948 970258053 /nfs/dbraw/zinc/25/80/53/970258053.db2.gz VSZBMFIORNVPCW-ZDUSSCGKSA-N 2 0 227.396 1.354 20 0 BDADRP Cc1ncc2n1CC[N@H+]([C@H]1CCOC(C)(C)C1)C2 ZINC001255540300 970311703 /nfs/dbraw/zinc/31/17/03/970311703.db2.gz IMGIIOXTWFMYOE-LBPRGKRZSA-N 2 0 249.358 1.965 20 0 BDADRP COC[C@@H](C)[NH2+]CC1CC[NH+](CC(C)C)CC1 ZINC001255561784 970342343 /nfs/dbraw/zinc/34/23/43/970342343.db2.gz JASJMDNVMYYCSD-CYBMUJFWSA-N 2 0 242.407 1.979 20 0 BDADRP COCC[N@H+](C)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255674336 970448037 /nfs/dbraw/zinc/44/80/37/970448037.db2.gz QBZMWPPKRHCANV-FUNVUKJBSA-N 2 0 226.364 1.580 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N(C)C[C@@H](C)C[NH3+] ZINC001255950748 970564633 /nfs/dbraw/zinc/56/46/33/970564633.db2.gz KRESHEUEMIUUAD-STQMWFEESA-N 2 0 229.412 1.633 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]C1(CO)CCC1 ZINC001255950269 970565687 /nfs/dbraw/zinc/56/56/87/970565687.db2.gz GOFXCSGFVUUSAF-LBPRGKRZSA-N 2 0 228.380 1.611 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]CC(C)(C)CO ZINC001255940521 970572251 /nfs/dbraw/zinc/57/22/51/970572251.db2.gz CWNLOIFKSYXFQO-GFCCVEGCSA-N 2 0 230.396 1.715 20 0 BDADRP CCOC(=O)CC[NH2+][C@H](C)CC[NH+](CC)CC ZINC001255940938 970569335 /nfs/dbraw/zinc/56/93/35/970569335.db2.gz JJWUDQJANHFGDP-GFCCVEGCSA-N 2 0 244.379 1.650 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]C(C)(C)CO ZINC001255939733 970571677 /nfs/dbraw/zinc/57/16/77/970571677.db2.gz IMIMHBUXJWZOCQ-LLVKDONJSA-N 2 0 216.369 1.467 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]C[C@H]1CCCO1 ZINC001255940186 970572572 /nfs/dbraw/zinc/57/25/72/970572572.db2.gz RUABGLLXXVFCJK-QWHCGFSZSA-N 2 0 228.380 1.875 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]C[C@@H](C)O ZINC001255940034 970573403 /nfs/dbraw/zinc/57/34/03/970573403.db2.gz LUNTWFFAGSAHKM-WDEREUQCSA-N 2 0 202.342 1.077 20 0 BDADRP COC[C@@H](C)C[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000400345504 970581297 /nfs/dbraw/zinc/58/12/97/970581297.db2.gz KDNZXFRDUWWXSK-WDEREUQCSA-N 2 0 214.353 1.247 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000400388116 970585065 /nfs/dbraw/zinc/58/50/65/970585065.db2.gz MJZYSRGZYNNCMB-NEPJUHHUSA-N 2 0 228.380 1.515 20 0 BDADRP CCn1ccnc1C[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000400464180 970591215 /nfs/dbraw/zinc/59/12/15/970591215.db2.gz VMSPYZLPVGXRKW-LLVKDONJSA-N 2 0 236.363 1.381 20 0 BDADRP C[NH+](C)C1(C)CN(C2CC[NH+](C3CC3)CC2)C1 ZINC001256080509 970646458 /nfs/dbraw/zinc/64/64/58/970646458.db2.gz YAVMWAPEAUPOQQ-UHFFFAOYSA-N 2 0 237.391 1.249 20 0 BDADRP C[N@@H+]1C[C@@H]2C[C@H]1CN2C1CC[NH+](C2CC2)CC1 ZINC001256079840 970649175 /nfs/dbraw/zinc/64/91/75/970649175.db2.gz OVVHVBVIDJWWBE-KBPBESRZSA-N 2 0 235.375 1.002 20 0 BDADRP COc1cccc(C[C@@H](C)N2CC[C@@H]([NH3+])C2)c1 ZINC001256143915 970671292 /nfs/dbraw/zinc/67/12/92/970671292.db2.gz JMGGJFPXOZUXQY-DGCLKSJQSA-N 2 0 234.343 1.659 20 0 BDADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC1CC[NH+](C)CC1 ZINC001256196453 970691382 /nfs/dbraw/zinc/69/13/82/970691382.db2.gz LWCKWSKJOVFUNF-KBPBESRZSA-N 2 0 239.407 1.543 20 0 BDADRP C[C@H]1C[C@H]2C[N@@H+](C3CC[NH+](C)CC3)CC[C@H]2O1 ZINC001256203666 970700867 /nfs/dbraw/zinc/70/08/67/970700867.db2.gz KYURSEWMCQDORQ-SGMGOOAPSA-N 2 0 238.375 1.580 20 0 BDADRP C[NH2+]Cc1ccc(NC2CC[NH+](C)CC2)cc1 ZINC001256207587 970707931 /nfs/dbraw/zinc/70/79/31/970707931.db2.gz MLPHQPZYLATFOO-UHFFFAOYSA-N 2 0 233.359 1.912 20 0 BDADRP CN1CCC([N@@H+]2CC[C@H](c3ccncc3)C2)CC1 ZINC001256207277 970712441 /nfs/dbraw/zinc/71/24/41/970712441.db2.gz FWTMFOVWVXEFKQ-AWEZNQCLSA-N 2 0 245.370 1.965 20 0 BDADRP CN1CCC([N@H+](C)CCc2ccncc2)CC1 ZINC001256207423 970715218 /nfs/dbraw/zinc/71/52/18/970715218.db2.gz JHVGCLMWBFVCAA-UHFFFAOYSA-N 2 0 233.359 1.650 20 0 BDADRP C[NH2+]C1CCC([N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)CC1 ZINC001246548412 972686744 /nfs/dbraw/zinc/68/67/44/972686744.db2.gz GMDVCNLXEQYXHL-FEPKRQSRSA-N 3 0 239.407 1.434 20 0 BDADRP CC[NH+]1CCC(N2CCC[C@](C)([NH3+])CC2)CC1 ZINC001246547948 972689793 /nfs/dbraw/zinc/68/97/93/972689793.db2.gz DPIDRUAFYGQQEK-AWEZNQCLSA-N 2 0 239.407 1.674 20 0 BDADRP CC[NH+]1CCC(N2CCC[C@@](C)([NH3+])CC2)CC1 ZINC001246547958 972691213 /nfs/dbraw/zinc/69/12/13/972691213.db2.gz DPIDRUAFYGQQEK-CQSZACIVSA-N 2 0 239.407 1.674 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC[C@@H]([NH3+])CC1)C2 ZINC001246550964 972723135 /nfs/dbraw/zinc/72/31/35/972723135.db2.gz ZMWNKTIDFVDZFG-MQYQWHSLSA-N 2 0 237.391 1.425 20 0 BDADRP C[C@H]1C[C@@H]([N@@H+]2CCC[C@@](F)(C[NH3+])CC2)CCO1 ZINC001246554132 972743612 /nfs/dbraw/zinc/74/36/12/972743612.db2.gz BFXKEIXTBAJZEP-AVGNSLFASA-N 2 0 244.354 1.707 20 0 BDADRP C[C@@H]1CC[N@@H+]([C@H]2CC[NH2+][C@@H](C)C2)C[C@]1(C)O ZINC001246566046 972807088 /nfs/dbraw/zinc/80/70/88/972807088.db2.gz RJPDQIQJFHSFCG-VOAKCMCISA-N 2 0 226.364 1.220 20 0 BDADRP CC[C@@H]1CC(N2CC[NH2+][C@H](C)C2)C[C@@H](CC)[NH2+]1 ZINC001246573243 972861609 /nfs/dbraw/zinc/86/16/09/972861609.db2.gz IIVSRQIDSBOQER-JHJVBQTASA-N 2 0 239.407 1.589 20 0 BDADRP CC(C)[NH+]1CCC(N2C[C@H]([NH3+])C[C@H](F)C2)CC1 ZINC001246577069 972886741 /nfs/dbraw/zinc/88/67/41/972886741.db2.gz QJEODMRZJCCZCU-NWDGAFQWSA-N 2 0 243.370 1.230 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@@H+]([C@@H]2CCCOC2)CC1 ZINC001246577899 972895713 /nfs/dbraw/zinc/89/57/13/972895713.db2.gz QRLGLQOWLTVIHR-CHWSQXEVSA-N 2 0 226.364 1.616 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@](C)(C[NH3+])CC2)CC[NH2+]1 ZINC001246579273 972914489 /nfs/dbraw/zinc/91/44/89/972914489.db2.gz UAQNBBQHRXTQQA-MCIONIFRSA-N 3 0 239.407 1.578 20 0 BDADRP C[C@@H]1CC(N2CCCC[C@H](C[NH3+])C2)C[C@@H](C)[NH2+]1 ZINC001246580926 972945566 /nfs/dbraw/zinc/94/55/66/972945566.db2.gz JATWVJVGCRILGM-JHJVBQTASA-N 2 0 239.407 1.576 20 0 BDADRP C[C@@H]1C[C@@H](N2CC[C@H]([NH3+])[C@@H](F)CC2)C[C@H](C)[NH2+]1 ZINC001246582084 972946059 /nfs/dbraw/zinc/94/60/59/972946059.db2.gz FTDXMUBLKINTGQ-PPCPHDFISA-N 2 0 243.370 1.277 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@](C)(O)[C@H](C)C2)CC[NH2+]1 ZINC001246591703 972998783 /nfs/dbraw/zinc/99/87/83/972998783.db2.gz NNZMVYXBJYZYJS-YIYPIFLZSA-N 2 0 240.391 1.610 20 0 BDADRP C[NH2+]CC[C@@H](C)N(C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001246596739 973016366 /nfs/dbraw/zinc/01/63/66/973016366.db2.gz VJBRIJRGUUDNOW-ZIAGYGMSSA-N 2 0 241.423 1.837 20 0 BDADRP C1C[C@H]2CC(N3CC[C@@]4(C3)CCCC[NH2+]4)C[C@@H]1[NH2+]2 ZINC001246619657 973034781 /nfs/dbraw/zinc/03/47/81/973034781.db2.gz INZVJMGTIZYTQS-IZGVIRRGSA-N 2 0 249.402 1.487 20 0 BDADRP C1C[C@@]2(C[NH2+]1)CCCN([C@@H]1CCCC[NH2+]C1)C2 ZINC001246627347 973043697 /nfs/dbraw/zinc/04/36/97/973043697.db2.gz JEKBRUZFOJHOTK-ZIAGYGMSSA-N 2 0 237.391 1.204 20 0 BDADRP C[C@@H]1CN[C@@H](C)C[N@H+]1C1CCC2(C[NH2+]C2)CC1 ZINC001246691044 973085505 /nfs/dbraw/zinc/08/55/05/973085505.db2.gz OYVVMNCESXTRRJ-NWDGAFQWSA-N 2 0 237.391 1.201 20 0 BDADRP CC(C)[C@H]1C[C@H](N2C[C@@H](C)[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC001246822626 973119132 /nfs/dbraw/zinc/11/91/32/973119132.db2.gz BRWMRJLLAHPAQN-XJFOESAGSA-N 2 0 239.407 1.445 20 0 BDADRP [NH3+][C@]12CC[C@@H]1CN([C@@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)C2 ZINC001246852782 973163058 /nfs/dbraw/zinc/16/30/58/973163058.db2.gz KPBQDLGEFMCYDL-RGDJUOJXSA-N 2 0 235.375 1.083 20 0 BDADRP [NH3+][C@@]12CC[C@H]1C[N@@H+](C1CCC(F)(F)CC1)C2 ZINC001246862845 973177257 /nfs/dbraw/zinc/17/72/57/973177257.db2.gz SAZOWGWQQWLPOH-GXSJLCMTSA-N 2 0 230.302 1.987 20 0 BDADRP CC(C)[C@H]1C[C@@H](N(C2CC2)C2C[NH2+]C2)CC[NH2+]1 ZINC001246861821 973178810 /nfs/dbraw/zinc/17/88/10/973178810.db2.gz FAIXHXIVLARTDX-GXTWGEPZSA-N 2 0 237.391 1.199 20 0 BDADRP [NH3+][C@]12CC[C@H]1C[N@@H+]([C@H]1CCC3(C1)CC[NH2+]CC3)C2 ZINC001246860593 973181837 /nfs/dbraw/zinc/18/18/37/973181837.db2.gz NLBFDZWZWUHPHA-YDHLFZDLSA-N 3 0 249.402 1.332 20 0 BDADRP CC(C)C[NH+]1CCC(N2C[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001246867234 973236502 /nfs/dbraw/zinc/23/65/02/973236502.db2.gz HFUIMYVRWJMGPD-TZMCWYRMSA-N 2 0 237.391 1.140 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1C[C@H]3C[C@@]3([NH3+])C1)C2 ZINC001246867270 973238581 /nfs/dbraw/zinc/23/85/81/973238581.db2.gz HRLPYVQSAPWOKP-PEBLQZBPSA-N 2 0 235.375 1.035 20 0 BDADRP FC[C@H]1[C@@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]12 ZINC001246875113 973268842 /nfs/dbraw/zinc/26/88/42/973268842.db2.gz XPRPEVIBNCZAHH-YGIIGYLSSA-N 2 0 224.323 1.417 20 0 BDADRP CN1CCC[C@@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]21 ZINC001246923315 973544519 /nfs/dbraw/zinc/54/45/19/973544519.db2.gz YVSUYSOBUKAAEK-YYJFMHSASA-N 2 0 249.402 1.295 20 0 BDADRP C1CC2(C1)CCC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246937790 973618983 /nfs/dbraw/zinc/61/89/83/973618983.db2.gz CMDAQYSTKRKCFG-CYBMUJFWSA-N 2 0 249.402 1.347 20 0 BDADRP CC1(C)C[C@@H]([N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CO1 ZINC001246940666 973647770 /nfs/dbraw/zinc/64/77/70/973647770.db2.gz JPYUUBHEONDCLB-FRRDWIJNSA-N 2 0 238.375 1.485 20 0 BDADRP CC[N@@H+]1CC[C@@H](OCC2CC[NH+](C)CC2)C1 ZINC001224449126 973651717 /nfs/dbraw/zinc/65/17/17/973651717.db2.gz DYGPDZRRFKOUAI-CYBMUJFWSA-N 2 0 226.364 1.439 20 0 BDADRP C[C@@H]1CN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@H](C)[NH2+]1 ZINC001246962114 973675115 /nfs/dbraw/zinc/67/51/15/973675115.db2.gz CXUFJMBTGHNERQ-KCLGILNXSA-N 2 0 237.391 1.294 20 0 BDADRP C[C@@H]1CN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@@H](C)[NH2+]1 ZINC001246962126 973675384 /nfs/dbraw/zinc/67/53/84/973675384.db2.gz CXUFJMBTGHNERQ-POQQGIQPSA-N 2 0 237.391 1.294 20 0 BDADRP CC[C@H](N)C[N@H+](C)[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246973195 973709662 /nfs/dbraw/zinc/70/96/62/973709662.db2.gz IFFGHHZYOVEZFY-MELADBBJSA-N 2 0 239.407 1.578 20 0 BDADRP CC[C@H](N)C[N@H+](C)[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246973197 973710189 /nfs/dbraw/zinc/71/01/89/973710189.db2.gz IFFGHHZYOVEZFY-MJBXVCDLSA-N 2 0 239.407 1.578 20 0 BDADRP COC[C@H]1CCC[N@H+](CCCCCC[NH3+])C1 ZINC000234730117 973731783 /nfs/dbraw/zinc/73/17/83/973731783.db2.gz DFWJAFZXNDSPBO-ZDUSSCGKSA-N 2 0 228.380 1.864 20 0 BDADRP COC[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000234798532 973764629 /nfs/dbraw/zinc/76/46/29/973764629.db2.gz KIGLPUUYUZVAEZ-AGIUHOORSA-N 2 0 226.364 1.200 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)C1(C)C ZINC000234813979 973765531 /nfs/dbraw/zinc/76/55/31/973765531.db2.gz NOCCIGLQJAOPGM-QWHCGFSZSA-N 2 0 240.391 1.731 20 0 BDADRP CC[N@@H+]1C[C@@H]2C[C@H]1CN2C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246994442 973786041 /nfs/dbraw/zinc/78/60/41/973786041.db2.gz VWYSLGZONZLODE-AEBFUODCSA-N 2 0 235.375 1.048 20 0 BDADRP C1[NH2+]CC12CC[C@H](N1CC[C@H]3[NH2+]CCC[C@H]3C1)C2 ZINC001247014107 973796300 /nfs/dbraw/zinc/79/63/00/973796300.db2.gz IYBKLBGKKPHIBK-MELADBBJSA-N 2 0 249.402 1.202 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H]([NH3+])C1CCCCC1 ZINC001329518638 973810370 /nfs/dbraw/zinc/81/03/70/973810370.db2.gz ADBBLWGHGQGEFI-HOSYDEDBSA-N 2 0 241.379 1.136 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](OC[C@@H]2CCCC[NH+]2C)C1 ZINC001224700826 973866767 /nfs/dbraw/zinc/86/67/67/973866767.db2.gz BDPOERWZIGTRHR-UONOGXRCSA-N 2 0 240.391 1.970 20 0 BDADRP COc1cc[nH+]c(N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000257642635 974083073 /nfs/dbraw/zinc/08/30/73/974083073.db2.gz FEMAZDYGHUITDS-VHSXEESVSA-N 2 0 221.304 1.772 20 0 BDADRP CC(C)[NH2+]CCCNC(=O)CCCC[NH+](C)C ZINC001171585503 974092516 /nfs/dbraw/zinc/09/25/16/974092516.db2.gz XLURMXNLASBZFJ-UHFFFAOYSA-N 2 0 243.395 1.223 20 0 BDADRP C[NH+]1C(C)(C)CC(N2CC([NH3+])C2)CC1(C)C ZINC001171619810 974115253 /nfs/dbraw/zinc/11/52/53/974115253.db2.gz RANGWCVVLFNUSS-UHFFFAOYSA-N 2 0 225.380 1.281 20 0 BDADRP Cc1ccc(CC[C@@H](C)[NH2+]C[C@@H](O)C[NH3+])cc1 ZINC001171654972 974119914 /nfs/dbraw/zinc/11/99/14/974119914.db2.gz DBEQXIIUIUVXKH-OCCSQVGLSA-N 2 0 236.359 1.225 20 0 BDADRP C[C@H](C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1)C(F)(F)F ZINC001206152765 974232457 /nfs/dbraw/zinc/23/24/57/974232457.db2.gz ARVNSVNSRHGJGT-HLTSFMKQSA-N 2 0 242.260 1.946 20 0 BDADRP N[C@H]1CC[N@H+](CCC2CCOCC2)CC[C@H]1F ZINC001206156800 974328383 /nfs/dbraw/zinc/32/83/83/974328383.db2.gz SXFZZEBAXJZJAX-OLZOCXBDSA-N 2 0 244.354 1.564 20 0 BDADRP CCC(=O)C(C)(C)C[N@@H+]1CC[C@@H](N)[C@@H](F)CC1 ZINC001206156721 974334252 /nfs/dbraw/zinc/33/42/52/974334252.db2.gz SIBRLEPQOQWHRV-WDEREUQCSA-N 2 0 244.354 1.753 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCCCCO)C2 ZINC001172100634 974346670 /nfs/dbraw/zinc/34/66/70/974346670.db2.gz RCLITWOUJSOFMH-BTTYYORXSA-N 2 0 240.391 1.754 20 0 BDADRP CC[C@H](O)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172103388 974359061 /nfs/dbraw/zinc/35/90/61/974359061.db2.gz UGYUDKIMBYTRDC-RVMXOQNASA-N 2 0 226.364 1.362 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1cc(C[NH3+])cn1)C2 ZINC001172108036 974364964 /nfs/dbraw/zinc/36/49/64/974364964.db2.gz OCKWYZSEMUBHIK-ITGUQSILSA-N 2 0 234.347 1.530 20 0 BDADRP C[C@@H](C[NH+](C)C)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172103665 974368248 /nfs/dbraw/zinc/36/82/48/974368248.db2.gz WKQZYDKUPPMYIT-FQUUOJAGSA-N 2 0 239.407 1.541 20 0 BDADRP COCC[N@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172114300 974378903 /nfs/dbraw/zinc/37/89/03/974378903.db2.gz QBZMWPPKRHCANV-ITGUQSILSA-N 2 0 226.364 1.580 20 0 BDADRP C[C@@H](O)CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172113026 974379294 /nfs/dbraw/zinc/37/92/94/974379294.db2.gz DYTNPJGCWHQILX-LPWJVIDDSA-N 2 0 226.364 1.362 20 0 BDADRP C[C@H](O)CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172113027 974383508 /nfs/dbraw/zinc/38/35/08/974383508.db2.gz DYTNPJGCWHQILX-RVMXOQNASA-N 2 0 226.364 1.362 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CSc2ccccc2C1 ZINC001172199451 974484454 /nfs/dbraw/zinc/48/44/54/974484454.db2.gz FHLFOHIOWHBILN-PWSUYJOCSA-N 2 0 236.384 1.888 20 0 BDADRP COCCC[NH2+]C1CC[NH+](CCCOC)CC1 ZINC001172243656 974509564 /nfs/dbraw/zinc/50/95/64/974509564.db2.gz YXLLBJXJNFVSLO-UHFFFAOYSA-N 2 0 244.379 1.113 20 0 BDADRP COCCC[NH+]1CCC([NH2+][C@H]2C[C@H]2C)CC1 ZINC001172243775 974510560 /nfs/dbraw/zinc/51/05/60/974510560.db2.gz SCTHAYHXRJZVBM-YPMHNXCESA-N 2 0 226.364 1.485 20 0 BDADRP COCCC[NH+]1CCC([NH2+][C@H]2CC2(C)C)CC1 ZINC001172246853 974514060 /nfs/dbraw/zinc/51/40/60/974514060.db2.gz XHPFGTXAZYPQJU-ZDUSSCGKSA-N 2 0 240.391 1.875 20 0 BDADRP C[NH2+][C@H](C)CCNC(=O)C(C)(C)[C@@H]([NH3+])C(C)C ZINC001330880048 974519057 /nfs/dbraw/zinc/51/90/57/974519057.db2.gz OQUASRNSROKMGR-MNOVXSKESA-N 2 0 243.395 1.110 20 0 BDADRP C[N@H+]1C[C@@H]2C[NH+]([C@H]3COC(C)(C)C3)C[C@@H]2C1 ZINC001172287800 974548983 /nfs/dbraw/zinc/54/89/83/974548983.db2.gz CBBLXWJXTNMISP-GRYCIOLGSA-N 2 0 224.348 1.047 20 0 BDADRP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+]([C@H]1COC(C)(C)C1)C2 ZINC001172290234 974557261 /nfs/dbraw/zinc/55/72/61/974557261.db2.gz CBMWBWYJHDADLW-YRGRVCCFSA-N 2 0 238.375 1.437 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+]([C@H]1COC(C)(C)C1)CC2 ZINC001172290139 974557373 /nfs/dbraw/zinc/55/73/73/974557373.db2.gz AVEKISCSZZPYHO-GFCCVEGCSA-N 2 0 238.375 1.582 20 0 BDADRP CC[N@H+](CCC[NH+](C)C)[C@H]1COC(C)(C)C1 ZINC001172290534 974557588 /nfs/dbraw/zinc/55/75/88/974557588.db2.gz CZVAUYDMEIEFKF-GFCCVEGCSA-N 2 0 228.380 1.828 20 0 BDADRP CCOCC[C@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC001172405703 974660413 /nfs/dbraw/zinc/66/04/13/974660413.db2.gz CCIBDDWFWBYZKJ-ZDUSSCGKSA-N 2 0 228.380 1.877 20 0 BDADRP C[NH2+][C@@H](C)CC[NH2+]Cc1ccc2c(c1)ncn2C ZINC001331417452 974713087 /nfs/dbraw/zinc/71/30/87/974713087.db2.gz AZEDXLDSCJSHQD-NSHDSACASA-N 2 0 246.358 1.661 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+]CC1=Cc2ccccc2OC1 ZINC001331761474 974817002 /nfs/dbraw/zinc/81/70/02/974817002.db2.gz GHORXSVKTHPVLI-LBPRGKRZSA-N 2 0 246.354 1.908 20 0 BDADRP CC(C)COCC[C@@H](C)NC(=[NH2+])SCC[NH3+] ZINC001172461346 974826562 /nfs/dbraw/zinc/82/65/62/974826562.db2.gz HNEBJBUPBFZDAZ-SNVBAGLBSA-N 2 0 247.408 1.654 20 0 BDADRP CC[N@@H+]1CCC[C@H](CNC(=[NH2+])N[C@H]2C[C@@H]2C)C1 ZINC001331900112 974856652 /nfs/dbraw/zinc/85/66/52/974856652.db2.gz CADCJDCVMQNIOC-TUAOUCFPSA-N 2 0 238.379 1.241 20 0 BDADRP [NH3+][C@H]1CCN(Cc2ccc(F)cn2)CC[C@@H]1F ZINC001206166016 974866641 /nfs/dbraw/zinc/86/66/41/974866641.db2.gz PWNRAMPARKSJOO-RYUDHWBXSA-N 2 0 241.285 1.482 20 0 BDADRP OCC12CCC(CC1)[N@@H+]2CC[C@H]1CCC[NH2+]C1 ZINC001331965607 974894871 /nfs/dbraw/zinc/89/48/71/974894871.db2.gz IWBKXVUCAMBRPF-IYXRBSQSSA-N 2 0 238.375 1.365 20 0 BDADRP CC[NH+](CC)C1CCC([NH2+]C(C)(C)CN)CC1 ZINC001173104045 975021341 /nfs/dbraw/zinc/02/13/41/975021341.db2.gz DEODJHQOWFNQKU-UHFFFAOYSA-N 2 0 241.423 1.966 20 0 BDADRP CC[NH+](CC)C1CCC([NH+]2CC(C)(O)C2)CC1 ZINC001173108611 975024724 /nfs/dbraw/zinc/02/47/24/975024724.db2.gz PFFZMBKRVRLCHO-UHFFFAOYSA-N 2 0 240.391 1.706 20 0 BDADRP C[C@H]1C[C@H]([N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)CCO1 ZINC001173174360 975050789 /nfs/dbraw/zinc/05/07/89/975050789.db2.gz SDWMYLZXZGZXJN-BFHYXJOUSA-N 2 0 238.375 1.582 20 0 BDADRP C[C@@H](C[NH3+])C[N@H+](C)[C@@H]1CCO[C@@H](C)C1 ZINC001173170024 975062986 /nfs/dbraw/zinc/06/29/86/975062986.db2.gz IENPGKILGLVKHE-GARJFASQSA-N 2 0 200.326 1.081 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001332424651 975112914 /nfs/dbraw/zinc/11/29/14/975112914.db2.gz OEVKTCCEORGBKF-CHWSQXEVSA-N 2 0 247.342 1.601 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC001332424653 975114564 /nfs/dbraw/zinc/11/45/64/975114564.db2.gz OEVKTCCEORGBKF-QWHCGFSZSA-N 2 0 247.342 1.601 20 0 BDADRP CCSC[C@H](C)N(CC[NH3+])C(C)C ZINC001173291008 975263425 /nfs/dbraw/zinc/26/34/25/975263425.db2.gz HZYIXXJVRUNYIO-JTQLQIEISA-N 2 0 204.383 1.797 20 0 BDADRP CCCN(CCC[NH3+])[C@H]1CC[N@H+](CC)C1 ZINC001173349554 975292420 /nfs/dbraw/zinc/29/24/20/975292420.db2.gz IEKDRJJGCHQDNA-LBPRGKRZSA-N 2 0 213.369 1.141 20 0 BDADRP CC[N@@H+]1CC[C@H](N2CC[NH+](C3CCC3)CC2)C1 ZINC001173360816 975334653 /nfs/dbraw/zinc/33/46/53/975334653.db2.gz PUWZVVALYHNUFD-AWEZNQCLSA-N 2 0 237.391 1.251 20 0 BDADRP CC[N@@H+]1CC[C@@H](N(C)CCC[NH+]2CCCC2)C1 ZINC001173365903 975347412 /nfs/dbraw/zinc/34/74/12/975347412.db2.gz RTKUYTYNXGOGER-CQSZACIVSA-N 2 0 239.407 1.498 20 0 BDADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH3+] ZINC001332980859 975354161 /nfs/dbraw/zinc/35/41/61/975354161.db2.gz IXTRMRDCJCYOFR-VXGBXAGGSA-N 2 0 241.379 1.057 20 0 BDADRP COCC(COC)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC001333029088 975379207 /nfs/dbraw/zinc/37/92/07/975379207.db2.gz JQRPISTZVHNJHV-GFCCVEGCSA-N 2 0 244.379 1.064 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2COC[C@@H]2C)C1 ZINC001333559076 975850821 /nfs/dbraw/zinc/85/08/21/975850821.db2.gz NHWJKEYMIHFYDL-XQQFMLRXSA-N 2 0 226.364 1.343 20 0 BDADRP OCC12CCC(CC1)[N@@H+]2C[C@@H]1CCCC[NH2+]C1 ZINC001334739813 976612166 /nfs/dbraw/zinc/61/21/66/976612166.db2.gz YRJVFFFODHGPRJ-IYXRBSQSSA-N 2 0 238.375 1.365 20 0 BDADRP CCC[NH2+]CCN[C@H]1CC[NH2+]C12CCCC2 ZINC001335249990 976899474 /nfs/dbraw/zinc/89/94/74/976899474.db2.gz CDEPCALKCFFCAD-LBPRGKRZSA-N 2 0 225.380 1.250 20 0 BDADRP C=CNc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001174783168 977004507 /nfs/dbraw/zinc/00/45/07/977004507.db2.gz DUTBDZWOESUYQP-UHFFFAOYSA-N 2 0 218.304 1.389 20 0 BDADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)[C@@H](C)O ZINC001335413263 977038515 /nfs/dbraw/zinc/03/85/15/977038515.db2.gz OISYTGSSHKVNFM-NWDGAFQWSA-N 2 0 216.369 1.323 20 0 BDADRP CSC[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC001335433200 977054945 /nfs/dbraw/zinc/05/49/45/977054945.db2.gz RWNLROOTPBGSLK-RYUDHWBXSA-N 2 0 246.420 1.032 20 0 BDADRP C[NH2+]C[C@@H](C)CNc1nc(N)[nH+]c2c1CCCC2 ZINC001335854798 977328456 /nfs/dbraw/zinc/32/84/56/977328456.db2.gz XNRQYNFIJVGTFL-SECBINFHSA-N 2 0 249.362 1.205 20 0 BDADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C[C@@H](O)C1CC1 ZINC001335930577 977370095 /nfs/dbraw/zinc/37/00/95/977370095.db2.gz VEDGFGRYZUBFKH-TZMCWYRMSA-N 2 0 240.391 1.611 20 0 BDADRP C[N@@H+]1CC[C@@H](N2Cc3ccccc3C[C@H]2C[NH3+])C1 ZINC000721641230 977635887 /nfs/dbraw/zinc/63/58/87/977635887.db2.gz NNQNCSGVUAJADH-CABCVRRESA-N 2 0 245.370 1.076 20 0 BDADRP C[N@@H+]1CC[C@H](N2Cc3ccccc3C[C@@H]2C[NH3+])C1 ZINC000721641233 977637719 /nfs/dbraw/zinc/63/77/19/977637719.db2.gz NNQNCSGVUAJADH-LSDHHAIUSA-N 2 0 245.370 1.076 20 0 BDADRP C[C@]1(O)CCC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232015042 977846655 /nfs/dbraw/zinc/84/66/55/977846655.db2.gz ZYIIOFHFLNYQLN-AWEZNQCLSA-N 2 0 245.326 1.910 20 0 BDADRP C[C@@H](O)C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC001336703223 977869591 /nfs/dbraw/zinc/86/95/91/977869591.db2.gz IYUGSIWIGPCEST-GFCCVEGCSA-N 2 0 240.391 1.611 20 0 BDADRP Cc1cc(N)nc(N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)[nH+]1 ZINC001336870250 978013410 /nfs/dbraw/zinc/01/34/10/978013410.db2.gz FLBKLBGDURLLGI-GMTAPVOTSA-N 2 0 247.346 1.119 20 0 BDADRP OCc1c[nH+]ccc1N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC001336982529 978103904 /nfs/dbraw/zinc/10/39/04/978103904.db2.gz GUEYGFUBQJOAJU-ZIAGYGMSSA-N 2 0 247.342 1.035 20 0 BDADRP C[C@@H]([NH3+])[C@H](C)C(=O)N(C)C1(C[NH3+])CCCCC1 ZINC001337034653 978137160 /nfs/dbraw/zinc/13/71/60/978137160.db2.gz CGKHWKZGPUGHHR-WDEREUQCSA-N 2 0 241.379 1.090 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000690455921 978290237 /nfs/dbraw/zinc/29/02/37/978290237.db2.gz YILJHWZIRSRSHU-NEPJUHHUSA-N 2 0 212.337 1.084 20 0 BDADRP COCCC[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206296929 978310262 /nfs/dbraw/zinc/31/02/62/978310262.db2.gz VLZPBBMBLJFPHC-LBPRGKRZSA-N 2 0 214.353 1.474 20 0 BDADRP CC[NH2+]CCN1CCC[C@](C)(C[NH3+])CC1 ZINC001206297212 978313717 /nfs/dbraw/zinc/31/37/17/978313717.db2.gz WRIACWJPVWKNCD-LBPRGKRZSA-N 2 0 213.369 1.047 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](OCC[NH+]1CCCC1)C2 ZINC001206302723 978350931 /nfs/dbraw/zinc/35/09/31/978350931.db2.gz RKJUHGCYKWIBGC-BTTYYORXSA-N 2 0 238.375 1.724 20 0 BDADRP CCN1CC[C@@H]([NH2+]CCC2CC[NH+](C)CC2)C1 ZINC000328457061 978354586 /nfs/dbraw/zinc/35/45/86/978354586.db2.gz FTHHVDGJOMIFMB-CQSZACIVSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@H](C[NH+](C)C)OCC[NH+]1CCCC1 ZINC001206303309 978362639 /nfs/dbraw/zinc/36/26/39/978362639.db2.gz XVSVANGVTFXWJG-LLVKDONJSA-N 2 0 200.326 1.049 20 0 BDADRP Cn1cnc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)c1 ZINC001206305464 978388568 /nfs/dbraw/zinc/38/85/68/978388568.db2.gz ZVSHHZUYWPALPM-ZDUSSCGKSA-N 2 0 236.363 1.371 20 0 BDADRP C(C[NH+]1CCCC1)OC1CC[NH+](C2CC2)CC1 ZINC001206309496 978419409 /nfs/dbraw/zinc/41/94/09/978419409.db2.gz SEAYISKGDIRFEJ-UHFFFAOYSA-N 2 0 238.375 1.726 20 0 BDADRP CC[NH+]1CCC(N(C)C2CC[NH+](C)CC2)CC1 ZINC000149325808 978424781 /nfs/dbraw/zinc/42/47/81/978424781.db2.gz HYWRPPPOBDHUSE-UHFFFAOYSA-N 2 0 239.407 1.497 20 0 BDADRP C[NH2+][C@@H](C)CCNC[C@H]([NH3+])CCC(C)(C)C ZINC001337837286 978520691 /nfs/dbraw/zinc/52/06/91/978520691.db2.gz AJHUTGLQLQQUEY-NWDGAFQWSA-N 2 0 229.412 1.728 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2c[nH]ccc2=O)CC1 ZINC001206325717 978543085 /nfs/dbraw/zinc/54/30/85/978543085.db2.gz HWWRWGWTDKCVLO-CQSZACIVSA-N 2 0 249.358 1.326 20 0 BDADRP [NH3+]C[C@]1(F)CCCCN(C[C@H]2CCCC[NH2+]2)C1 ZINC001206337984 978602077 /nfs/dbraw/zinc/60/20/77/978602077.db2.gz XRMBHLQQZUQIJN-CHWSQXEVSA-N 2 0 243.370 1.281 20 0 BDADRP C[NH+]1CCC2(CC1)CN(c1cc[nH+]cc1)CCO2 ZINC001339464520 978854769 /nfs/dbraw/zinc/85/47/69/978854769.db2.gz MBYDGWPONSEADW-UHFFFAOYSA-N 2 0 247.342 1.383 20 0 BDADRP [NH3+]CCCC[N@H+]1C[C@H]2c3ccccc3C(=O)[C@H]2C1 ZINC001234982879 978941733 /nfs/dbraw/zinc/94/17/33/978941733.db2.gz WTCJYTATBMQCOE-KBPBESRZSA-N 2 0 244.338 1.637 20 0 BDADRP Cc1csc(C[C@@H]2CCN(C[C@@H](C)[NH3+])C2)n1 ZINC001339934735 978944504 /nfs/dbraw/zinc/94/45/04/978944504.db2.gz XBWQBEOQANPCCE-KOLCDFICSA-N 2 0 239.388 1.663 20 0 BDADRP C([C@H]1CCCC[NH2+]1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234993464 978945104 /nfs/dbraw/zinc/94/51/04/978945104.db2.gz NYUGUWONRIGKNL-ZIAGYGMSSA-N 2 0 237.391 1.204 20 0 BDADRP CC1(CN2CC[C@@H]3CC[NH2+][C@@H]3C2)CC[NH2+]CC1 ZINC001235019073 978955359 /nfs/dbraw/zinc/95/53/59/978955359.db2.gz ZEERRJVKCOJWGI-QWHCGFSZSA-N 2 0 237.391 1.060 20 0 BDADRP CC(C)CCC[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235054506 978964957 /nfs/dbraw/zinc/96/49/57/978964957.db2.gz NFYUAZGQIAQQCH-CYBMUJFWSA-N 2 0 225.380 1.060 20 0 BDADRP CC[C@@H](N)C[N@@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235154977 978984607 /nfs/dbraw/zinc/98/46/07/978984607.db2.gz XJOIUQZFTXEJOX-ZIAGYGMSSA-N 2 0 239.407 1.578 20 0 BDADRP c1n[nH]cc1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235230473 978999454 /nfs/dbraw/zinc/99/94/54/978999454.db2.gz CFKXAIUJQZHAEZ-CQSZACIVSA-N 2 0 248.374 1.764 20 0 BDADRP C[NH2+]CCN1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235231200 978999829 /nfs/dbraw/zinc/99/98/29/978999829.db2.gz DDJJLPIZQQBJJB-ZDUSSCGKSA-N 2 0 225.380 1.060 20 0 BDADRP [NH3+]C1([C@H]2C[N@H+](CCCCCO)C[C@H]2CF)CC1 ZINC001235398392 979035282 /nfs/dbraw/zinc/03/52/82/979035282.db2.gz VIISTFYDAOVAGE-NEPJUHHUSA-N 2 0 244.354 1.158 20 0 BDADRP CCCCOC1C[NH+](CCCC[NH3+])C1 ZINC001235710208 979128892 /nfs/dbraw/zinc/12/88/92/979128892.db2.gz OFJRGBMLHPVXCZ-UHFFFAOYSA-N 2 0 200.326 1.226 20 0 BDADRP C(C[N@@H+]1CCCC2(C[NH2+]C2)C1)C1CC[NH2+]CC1 ZINC001235711568 979131758 /nfs/dbraw/zinc/13/17/58/979131758.db2.gz RAEKZBGDSRPFIK-UHFFFAOYSA-N 3 0 237.391 1.062 20 0 BDADRP CC[C@H]1CN(Cc2ccc(C[NH3+])cc2)CC[NH2+]1 ZINC001235731326 979141480 /nfs/dbraw/zinc/14/14/80/979141480.db2.gz YPYBVQAPGOJLHJ-AWEZNQCLSA-N 2 0 233.359 1.329 20 0 BDADRP CC[C@H]1CNCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC001235769249 979142964 /nfs/dbraw/zinc/14/29/64/979142964.db2.gz PGBFYUFBTWPGEZ-ZDUSSCGKSA-N 2 0 225.380 1.060 20 0 BDADRP CN(C[C@H]([NH3+])Cc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC001235843066 979170562 /nfs/dbraw/zinc/17/05/62/979170562.db2.gz UZFWVXFRZKBDLX-LSDHHAIUSA-N 2 0 247.386 1.098 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCN[C@@H](c2ccccc2)C1 ZINC001235858676 979174989 /nfs/dbraw/zinc/17/49/89/979174989.db2.gz ILJVAQXERSYBHP-CQSZACIVSA-N 2 0 233.359 1.372 20 0 BDADRP C[C@H]([NH3+])CN1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001235863572 979175435 /nfs/dbraw/zinc/17/54/35/979175435.db2.gz FUFJUSNODXNXBO-KBPBESRZSA-N 2 0 247.386 1.712 20 0 BDADRP [NH3+]CCN(CC[NH3+])Cc1cccc2c1CCCC2 ZINC001235878108 979178261 /nfs/dbraw/zinc/17/82/61/979178261.db2.gz TWQHLZNQAFWSCJ-UHFFFAOYSA-N 2 0 247.386 1.285 20 0 BDADRP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001235891229 979184605 /nfs/dbraw/zinc/18/46/05/979184605.db2.gz DJUYLAJKQIFKCX-UPJWGTAASA-N 3 0 225.380 1.188 20 0 BDADRP C[C@@H]1CN(CC[C@@H]2CCCC[NH2+]2)C[C@H](C)[NH2+]1 ZINC001235897330 979190548 /nfs/dbraw/zinc/19/05/48/979190548.db2.gz KUPIERAYPWIPHF-XQQFMLRXSA-N 2 0 225.380 1.201 20 0 BDADRP [NH3+][C@H]1CN(Cc2ccc3c(c2)C[NH2+]C3)CC[C@H]1F ZINC001235905236 979198811 /nfs/dbraw/zinc/19/88/11/979198811.db2.gz FYEXBRFDYDGCMZ-KGLIPLIRSA-N 2 0 249.333 1.161 20 0 BDADRP C[C@H]1CC[C@@H]([NH3+])CN1Cc1ccc2c(c1)C[NH2+]C2 ZINC001235909162 979201803 /nfs/dbraw/zinc/20/18/03/979201803.db2.gz ZVBOEKSHJZYFBU-XHDPSFHLSA-N 2 0 245.370 1.601 20 0 BDADRP [NH3+][C@@H]1CCN(CC[C@H]2CCCC[NH2+]2)CC1(F)F ZINC001235911968 979203703 /nfs/dbraw/zinc/20/37/03/979203703.db2.gz OPTSTKBIXOTDEN-GHMZBOCLSA-N 2 0 247.333 1.187 20 0 BDADRP C[C@@H]1CC[C@@H]([NH3+])CN1Cc1ccc2c(c1)CCN2 ZINC001235907679 979204206 /nfs/dbraw/zinc/20/42/06/979204206.db2.gz SFVLWEWFMAUWMG-BXUZGUMPSA-N 2 0 245.370 1.966 20 0 BDADRP [NH3+]CCCC[N@@H+]1CC[C@]2(C1)CC(F)(F)CO2 ZINC001236007584 979299038 /nfs/dbraw/zinc/29/90/38/979299038.db2.gz WKMJCENXYZSTGV-SNVBAGLBSA-N 2 0 234.290 1.225 20 0 BDADRP [NH3+]CCCC[NH+]1CCC2(C[C@@H](F)CO2)CC1 ZINC001236015605 979303867 /nfs/dbraw/zinc/30/38/67/979303867.db2.gz MWJKTCQJBZMWRU-LLVKDONJSA-N 2 0 230.327 1.318 20 0 BDADRP CCOC(=O)[C@@H]1CCCC[N@H+](CCCC[NH3+])C1 ZINC001236038502 979333590 /nfs/dbraw/zinc/33/35/90/979333590.db2.gz QGDUMTFHYAXUPX-GFCCVEGCSA-N 2 0 242.363 1.391 20 0 BDADRP C[C@H]1C[C@@H](N)C[N@H+](CCC2CC[NH2+]CC2)C1 ZINC001236043928 979338847 /nfs/dbraw/zinc/33/88/47/979338847.db2.gz GGUATBGBFSUROS-WCQYABFASA-N 2 0 225.380 1.045 20 0 BDADRP C[C@H]1C[C@@H]([NH3+])CN(Cc2ccc(C[NH3+])cc2)C1 ZINC001236052148 979343646 /nfs/dbraw/zinc/34/36/46/979343646.db2.gz ZXTWGZQRGUKMBM-SMDDNHRTSA-N 2 0 233.359 1.314 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC001236072085 979363552 /nfs/dbraw/zinc/36/35/52/979363552.db2.gz FOAJFMNONSCFFV-HNNXBMFYSA-N 2 0 248.370 1.669 20 0 BDADRP [NH3+]CCCCN1CC[NH2+]C[C@@H]1c1cccs1 ZINC001236112390 979391359 /nfs/dbraw/zinc/39/13/59/979391359.db2.gz DUWYHEDUADREOB-LLVKDONJSA-N 2 0 239.388 1.433 20 0 BDADRP CN(Cc1ccc(C[NH3+])cc1)C[C@@H]1CCC[NH2+]1 ZINC001236118434 979398346 /nfs/dbraw/zinc/39/83/46/979398346.db2.gz JDXHOMLCJASOHC-AWEZNQCLSA-N 2 0 233.359 1.329 20 0 BDADRP C[C@H]([NH3+])CN1CC[NH2+]C[C@@H]1c1ccc(F)cc1 ZINC001236128437 979403507 /nfs/dbraw/zinc/40/35/07/979403507.db2.gz KIGPSILYUNJXRY-GXFFZTMASA-N 2 0 237.322 1.119 20 0 BDADRP CCCC[C@@H]1CN(C[C@@H]([NH3+])CC)CC[NH2+]1 ZINC001236141484 979410453 /nfs/dbraw/zinc/41/04/53/979410453.db2.gz ZRRNLIGTOLUFKZ-NWDGAFQWSA-N 2 0 213.369 1.188 20 0 BDADRP CN(C[C@@H]([NH3+])c1ccccc1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236210302 979450452 /nfs/dbraw/zinc/45/04/52/979450452.db2.gz ASYXLISOAUFBBV-RBSFLKMASA-N 2 0 247.386 1.888 20 0 BDADRP C([C@H]1CCCC[NH2+]1)N(C1CC1)[C@H]1CCC[NH2+]C1 ZINC001236236989 979458426 /nfs/dbraw/zinc/45/84/26/979458426.db2.gz NUBBLVDWNWFUFE-OCCSQVGLSA-N 2 0 237.391 1.345 20 0 BDADRP [NH3+][C@H](Cc1ccccc1)CN1CCC[NH2+]CCC1 ZINC001236241354 979462622 /nfs/dbraw/zinc/46/26/22/979462622.db2.gz YLHAJWXMCVGWLR-OAHLLOKOSA-N 2 0 247.386 1.242 20 0 BDADRP C[NH+]1CCC(C)(C[N@@H+]2CCC[C@@H]2CN)CC1 ZINC001236243210 979464721 /nfs/dbraw/zinc/46/47/21/979464721.db2.gz DVOXCLKHLMOYHI-GFCCVEGCSA-N 2 0 225.380 1.141 20 0 BDADRP C[C@H]([NH3+])CN(C)CC[N@H+](C)Cc1ccccc1 ZINC001236308593 979510608 /nfs/dbraw/zinc/51/06/08/979510608.db2.gz UDHOVBNLJPJRSH-ZDUSSCGKSA-N 2 0 235.375 1.397 20 0 BDADRP [NH3+]Cc1ccccc1NC(=O)CC1CC[NH2+]CC1 ZINC001341674310 979517923 /nfs/dbraw/zinc/51/79/23/979517923.db2.gz AEWQGEJUCXERMQ-UHFFFAOYSA-N 2 0 247.342 1.474 20 0 BDADRP C(C1CCC1)[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314676 979524570 /nfs/dbraw/zinc/52/45/70/979524570.db2.gz RWTJCPSBDYUPHV-BETUJISGSA-N 2 0 208.349 1.718 20 0 BDADRP c1c[nH]c(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236315233 979529427 /nfs/dbraw/zinc/52/94/27/979529427.db2.gz WZSVOLFFJFPCGF-TXEJJXNPSA-N 2 0 219.332 1.446 20 0 BDADRP Oc1cncc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236320758 979532596 /nfs/dbraw/zinc/53/25/96/979532596.db2.gz DUPUNNGIJLVTJM-BETUJISGSA-N 2 0 247.342 1.219 20 0 BDADRP c1nc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)co1 ZINC001236321114 979533580 /nfs/dbraw/zinc/53/35/80/979533580.db2.gz WKMCUMLVOTXRNQ-PHIMTYICSA-N 2 0 221.304 1.106 20 0 BDADRP Nc1cccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)n1 ZINC001236322144 979536052 /nfs/dbraw/zinc/53/60/52/979536052.db2.gz QYZZCOFXXMDMPK-TXEJJXNPSA-N 2 0 246.358 1.095 20 0 BDADRP Cn1cccc1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001203264796 979537244 /nfs/dbraw/zinc/53/72/44/979537244.db2.gz BASCLFAPJGWLJH-UHFFFAOYSA-N 2 0 247.386 1.943 20 0 BDADRP CCCN(CCCCC[NH3+])[C@@H]1CC[NH2+]C1 ZINC001236322598 979538595 /nfs/dbraw/zinc/53/85/95/979538595.db2.gz QERKNYRJCYRFON-GFCCVEGCSA-N 2 0 213.369 1.189 20 0 BDADRP CCN(C[C@H]1CC[NH2+]C1)C[C@@H]1CCCC[NH2+]1 ZINC001236407581 979582925 /nfs/dbraw/zinc/58/29/25/979582925.db2.gz HLNXCUGZLNIRJX-STQMWFEESA-N 2 0 225.380 1.060 20 0 BDADRP CC[C@@H](C)C[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC001341893137 979586450 /nfs/dbraw/zinc/58/64/50/979586450.db2.gz JNZOGOBWUVLUES-WISYIIOYSA-N 2 0 241.379 1.136 20 0 BDADRP [NH3+]CCN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001236442197 979599040 /nfs/dbraw/zinc/59/90/40/979599040.db2.gz ZVCKNMUGMSJLDI-LSDHHAIUSA-N 2 0 245.370 1.151 20 0 BDADRP CCC(=O)N(C)C1CC[NH+](CCCC[NH3+])CC1 ZINC001236466173 979603907 /nfs/dbraw/zinc/60/39/07/979603907.db2.gz WZQGLYNTCNQHKL-UHFFFAOYSA-N 2 0 241.379 1.058 20 0 BDADRP [NH3+]CCN(Cc1ccccc1)C[C@@H]1CCCC[NH2+]1 ZINC001236522431 979616257 /nfs/dbraw/zinc/61/62/57/979616257.db2.gz OPKSXCUAJGQPJM-HNNXBMFYSA-N 2 0 247.386 1.589 20 0 BDADRP CC(C)N(CCCCCC[NH3+])[C@H]1CC[NH2+]C1 ZINC001236527616 979621956 /nfs/dbraw/zinc/62/19/56/979621956.db2.gz PHEFKJZSVUBUID-ZDUSSCGKSA-N 2 0 227.396 1.578 20 0 BDADRP C[C@@H]1CN(CC[C@@H]2CCCC[NH2+]2)C[C@@H](C)[NH2+]1 ZINC001236575380 979634828 /nfs/dbraw/zinc/63/48/28/979634828.db2.gz KUPIERAYPWIPHF-UPJWGTAASA-N 2 0 225.380 1.201 20 0 BDADRP CC(C)C[N@H+](CCCO)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236552023 979635445 /nfs/dbraw/zinc/63/54/45/979635445.db2.gz TXGYPAGZWGAHEL-JOCQHMNTSA-N 2 0 228.380 1.597 20 0 BDADRP CC(C)CN(C[C@H]1CC[NH2+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236549754 979636158 /nfs/dbraw/zinc/63/61/58/979636158.db2.gz ATIJQSGEJDJDLN-MGPQQGTHSA-N 2 0 239.407 1.576 20 0 BDADRP NCC[N@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236571426 979637550 /nfs/dbraw/zinc/63/75/50/979637550.db2.gz CVYBVCXXPMVJBW-UMSPYCQHSA-N 2 0 211.353 1.070 20 0 BDADRP [NH3+][C@H]1CC[C@H]([N@H+](CCCO)C2CCC2)CC1 ZINC001236571307 979639326 /nfs/dbraw/zinc/63/93/26/979639326.db2.gz BMQYYFCBMKBESI-AULYBMBSSA-N 2 0 226.364 1.493 20 0 BDADRP CC[NH+]1CCC(C[N@H+](CCF)CCOC)CC1 ZINC001182782220 979641944 /nfs/dbraw/zinc/64/19/44/979641944.db2.gz OMHXRHIAYRXWME-UHFFFAOYSA-N 2 0 246.370 1.636 20 0 BDADRP C[NH2+]CCCN1CCCC[C@](C)(C[NH3+])C1 ZINC001206541357 979644965 /nfs/dbraw/zinc/64/49/65/979644965.db2.gz GUHVSJIRMVOFOE-GFCCVEGCSA-N 2 0 213.369 1.047 20 0 BDADRP CC[N@H+](C1CCOCC1)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000716444048 979660557 /nfs/dbraw/zinc/66/05/57/979660557.db2.gz TULYSDCXXGUVLI-AAEUAGOBSA-N 2 0 226.364 1.628 20 0 BDADRP CC[C@H]([NH3+])CN(C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236584398 979665435 /nfs/dbraw/zinc/66/54/35/979665435.db2.gz AJDFMJKSLDKMAA-NEPJUHHUSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@]1(C[NH3+])CCN(C[C@H]([NH3+])Cc2ccccc2)C1 ZINC001236605317 979676492 /nfs/dbraw/zinc/67/64/92/979676492.db2.gz QQCCDIGKSQIYEC-HUUCEWRRSA-N 2 0 247.386 1.227 20 0 BDADRP C[C@H](N)C[N@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236768906 979722075 /nfs/dbraw/zinc/72/20/75/979722075.db2.gz SLGKKGABCRGFHR-AVGNSLFASA-N 2 0 241.423 1.952 20 0 BDADRP CCC[N@H+](CCCCO)C[C@H]1CC[NH2+]C1 ZINC001236827725 979746400 /nfs/dbraw/zinc/74/64/00/979746400.db2.gz GLRNEZIDLDUGRA-LBPRGKRZSA-N 2 0 214.353 1.080 20 0 BDADRP [NH3+][C@@H](CC1CC1)C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001342397885 979791310 /nfs/dbraw/zinc/79/13/10/979791310.db2.gz MFQQFGSMLQBAPL-LBPRGKRZSA-N 2 0 245.326 1.356 20 0 BDADRP CCCCCN(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001236922625 979796513 /nfs/dbraw/zinc/79/65/13/979796513.db2.gz HRKKYERUQIIOOI-CQSZACIVSA-N 2 0 241.423 1.792 20 0 BDADRP C[C@@]1([NH3+])CCC[N@H+](Cc2cccc(=O)[nH]2)CC1 ZINC001205265678 979816281 /nfs/dbraw/zinc/81/62/81/979816281.db2.gz QQYWVCFYBFBIKY-CYBMUJFWSA-N 2 0 235.331 1.491 20 0 BDADRP C1=CO[C@H](C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC001237379381 979877347 /nfs/dbraw/zinc/87/73/47/979877347.db2.gz BBTDXYFEZQFWMF-MELADBBJSA-N 2 0 236.359 1.753 20 0 BDADRP C(C1CC[NH2+]CC1)N1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237374717 979878620 /nfs/dbraw/zinc/87/86/20/979878620.db2.gz IMGACBUIEOJYCA-ZIAGYGMSSA-N 2 0 237.391 1.060 20 0 BDADRP C([C@H]1CCCC[NH2+]1)N1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237376124 979878641 /nfs/dbraw/zinc/87/86/41/979878641.db2.gz PQFZUBXBYGRVJC-MCIONIFRSA-N 2 0 237.391 1.202 20 0 BDADRP c1cnn(CCC[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237385002 979883538 /nfs/dbraw/zinc/88/35/38/979883538.db2.gz ZDGYINNDRCYULW-KGLIPLIRSA-N 2 0 248.374 1.347 20 0 BDADRP [NH3+]CCCCN1CC[C@@H]([NH+]2CCCC2)[C@@H](F)C1 ZINC001237456074 979898275 /nfs/dbraw/zinc/89/82/75/979898275.db2.gz PLVZXMSIYWPRSY-QWHCGFSZSA-N 2 0 243.370 1.234 20 0 BDADRP C[C@@H](CCCC[NH3+])NC(=O)c1ccccc1C[NH3+] ZINC001343510395 980137976 /nfs/dbraw/zinc/13/79/76/980137976.db2.gz PBNAQRKGWCUDME-NSHDSACASA-N 2 0 249.358 1.393 20 0 BDADRP CC[C@@H](C)CCC(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001185573767 980250757 /nfs/dbraw/zinc/25/07/57/980250757.db2.gz QQBCRCQYQSRRDF-SNVBAGLBSA-N 2 0 242.367 1.274 20 0 BDADRP COc1ccc2c(c1)C1(C[C@@H]2[NH3+])CC[NH2+]CC1 ZINC001239320092 980529827 /nfs/dbraw/zinc/52/98/27/980529827.db2.gz XZXNSKAUJFEFHF-ZDUSSCGKSA-N 2 0 232.327 1.720 20 0 BDADRP C[C@@H]1CC[C@@H]([NH+]2CCN(CC[NH3+])CC2)C[C@@H]1C ZINC000085025377 980872376 /nfs/dbraw/zinc/87/23/76/980872376.db2.gz SEFHJQYTVJNUNC-HZSPNIEDSA-N 2 0 239.407 1.387 20 0 BDADRP [NH3+]Cc1cncc(-c2ccc3c(n2)CC[NH2+]C3)c1 ZINC001239784901 980916276 /nfs/dbraw/zinc/91/62/76/980916276.db2.gz YSRGXVFDLMQSBI-UHFFFAOYSA-N 2 0 240.310 1.248 20 0 BDADRP C[NH+](C)Cc1cccc(-c2cncc(C[NH3+])c2)n1 ZINC001239790659 980932619 /nfs/dbraw/zinc/93/26/19/980932619.db2.gz PQUNDJBYJXNWOY-UHFFFAOYSA-N 2 0 242.326 1.664 20 0 BDADRP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)[C@H](C)O)C1 ZINC001191257054 981001643 /nfs/dbraw/zinc/00/16/43/981001643.db2.gz IPJLDPNEALYHEZ-AVGNSLFASA-N 2 0 228.380 1.419 20 0 BDADRP COC(=O)[C@H](C)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205602374 981162508 /nfs/dbraw/zinc/16/25/08/981162508.db2.gz IHJMNTQNUSTDCF-TUAOUCFPSA-N 2 0 242.363 1.102 20 0 BDADRP COCC1([N@H+](C)C[C@@H]2CCC[NH2+]C2)CCC1 ZINC001348820830 981452659 /nfs/dbraw/zinc/45/26/59/981452659.db2.gz HOEVTLZOQIQJIE-GFCCVEGCSA-N 2 0 226.364 1.487 20 0 BDADRP CC[N@@H+]1CCC[C@H](CN[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC001348840499 981454688 /nfs/dbraw/zinc/45/46/88/981454688.db2.gz MJNOLYYOUXIHJZ-MCIONIFRSA-N 2 0 239.407 1.306 20 0 BDADRP C[NH2+]Cc1ccccc1C1=CCC[NH2+]C1 ZINC001240670140 981570476 /nfs/dbraw/zinc/57/04/76/981570476.db2.gz GOZCUWYWLMLWMQ-UHFFFAOYSA-N 2 0 202.301 1.783 20 0 BDADRP c1ccc(N2CC[NH2+]CC2)c(C2=CCC[NH2+]C2)c1 ZINC001240669786 981577028 /nfs/dbraw/zinc/57/70/28/981577028.db2.gz SSXGVWSKUXPWHZ-UHFFFAOYSA-N 2 0 243.354 1.473 20 0 BDADRP OC1(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CCC1 ZINC001580880495 981672860 /nfs/dbraw/zinc/67/28/60/981672860.db2.gz QGVXDOQEIGYUOQ-CHWSQXEVSA-N 2 0 238.375 1.223 20 0 BDADRP OC[C@H](CC1CCC1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001580882682 981688409 /nfs/dbraw/zinc/68/84/09/981688409.db2.gz WVTSOQKOYJQEAQ-OLZOCXBDSA-N 2 0 226.364 1.127 20 0 BDADRP O=c1ccc(C[NH2+]C[C@@H]2CCC[NH2+]CC2)c[nH]1 ZINC001580888122 981718895 /nfs/dbraw/zinc/71/88/95/981718895.db2.gz FVMVWXCIBXWBSD-LLVKDONJSA-N 2 0 235.331 1.267 20 0 BDADRP c1cc(C[NH2+]C[C@@H]2CCC[NH2+]CC2)no1 ZINC001580888032 981719967 /nfs/dbraw/zinc/71/99/67/981719967.db2.gz OYNQEFANIURFKZ-SNVBAGLBSA-N 2 0 209.293 1.154 20 0 BDADRP c1cnc([C@H]2CC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)nc1 ZINC001580896939 981735269 /nfs/dbraw/zinc/73/52/69/981735269.db2.gz YPJPKVZNBFRJTM-STQMWFEESA-N 2 0 246.358 1.266 20 0 BDADRP C[NH2+]CCCC(=O)N(C)C1(C[NH3+])CCCCC1 ZINC001349864926 981798052 /nfs/dbraw/zinc/79/80/52/981798052.db2.gz MVDZTBWSLWZOOI-UHFFFAOYSA-N 2 0 241.379 1.106 20 0 BDADRP Cc1c[nH+]c(C=C2CC[NH2+]CC2)cc1N ZINC001240874191 981915359 /nfs/dbraw/zinc/91/53/59/981915359.db2.gz NCXAENGXLIPBKN-UHFFFAOYSA-N 2 0 203.289 1.569 20 0 BDADRP C[NH2+][C@@H](C)CCNC(=O)c1cccc2c1C[NH2+]C2 ZINC001350399431 981962050 /nfs/dbraw/zinc/96/20/50/981962050.db2.gz UOQPYKSLHMTXER-JTQLQIEISA-N 2 0 247.342 1.018 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CCC[C@@H]2OCC[C@@H]21 ZINC001350399840 981962216 /nfs/dbraw/zinc/96/22/16/981962216.db2.gz ZMPATRHBACCPAH-AGIUHOORSA-N 2 0 224.348 1.239 20 0 BDADRP OCc1c[nH+]ccc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001351950557 982414250 /nfs/dbraw/zinc/41/42/50/982414250.db2.gz PXIDVAWNEGGDQF-STQMWFEESA-N 2 0 247.342 1.035 20 0 BDADRP OCc1c[nH+]ccc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001351950555 982416445 /nfs/dbraw/zinc/41/64/45/982416445.db2.gz PXIDVAWNEGGDQF-QWHCGFSZSA-N 2 0 247.342 1.035 20 0 BDADRP C[N@H+]1CC=C(c2ccc3c(n2)CC[NH2+]C3)CC1 ZINC001241307657 982444660 /nfs/dbraw/zinc/44/46/60/982444660.db2.gz JWLVGEZGXPHPIZ-UHFFFAOYSA-N 2 0 229.327 1.446 20 0 BDADRP C[NH+](C)Cc1ccnc(C2=CC[N@H+](C)CC2)c1 ZINC001241317416 982471989 /nfs/dbraw/zinc/47/19/89/982471989.db2.gz OCYKIANOGXQNCX-UHFFFAOYSA-N 2 0 231.343 1.862 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH3+])N(C[C@@H]([NH3+])c2ccccc2)C1 ZINC001205805049 982566467 /nfs/dbraw/zinc/56/64/67/982566467.db2.gz POFTWBNVGXWMKX-VHDGCEQUSA-N 2 0 247.386 1.746 20 0 BDADRP C[C@H]1CCOCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC001352775833 982570116 /nfs/dbraw/zinc/57/01/16/982570116.db2.gz ATAHNPUPIDXJFK-RYUDHWBXSA-N 2 0 212.337 1.097 20 0 BDADRP [NH3+]CC1CCC([NH2+]C/C=C\Cl)CC1 ZINC001352762606 982571923 /nfs/dbraw/zinc/57/19/23/982571923.db2.gz WWFIZOWTEVWQHG-BHQIHCQQSA-N 2 0 202.729 1.846 20 0 BDADRP C[C@@H]1CC[C@H](C[NH3+])N(Cc2c[nH+]ccc2N)C1 ZINC001205815573 982620497 /nfs/dbraw/zinc/62/04/97/982620497.db2.gz HNLAOBSGJYCCGX-ZYHUDNBSSA-N 2 0 234.347 1.053 20 0 BDADRP COC[C@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000238383424 982674569 /nfs/dbraw/zinc/67/45/69/982674569.db2.gz DROJZPLHJHWKEQ-VXGBXAGGSA-N 2 0 212.337 1.097 20 0 BDADRP CC(C)([NH3+])CCNC(=O)[C@H]([NH3+])C1CCCCC1 ZINC001353127316 982708703 /nfs/dbraw/zinc/70/87/03/982708703.db2.gz QQLBMBPIGOILQD-LLVKDONJSA-N 2 0 241.379 1.138 20 0 BDADRP [NH3+]Cc1cccc(-c2cnn(C3C[NH2+]C3)c2)c1F ZINC001241615731 982851209 /nfs/dbraw/zinc/85/12/09/982851209.db2.gz XFQWTKYNQBDQIJ-UHFFFAOYSA-N 2 0 246.289 1.292 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCOC2)CC[C@@H]1C[NH3+] ZINC000690529667 983015052 /nfs/dbraw/zinc/01/50/52/983015052.db2.gz NYZNYWVRDFHDIR-FRRDWIJNSA-N 2 0 226.364 1.330 20 0 BDADRP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1CCCCCC[NH3+] ZINC001205902548 983115305 /nfs/dbraw/zinc/11/53/05/983115305.db2.gz KGVUQDOJUFESRE-CHWSQXEVSA-N 3 0 227.396 1.565 20 0 BDADRP [NH3+]Cc1ccc(-c2cnc3c(c2)C[NH2+]CC3)cc1 ZINC001241913571 983130200 /nfs/dbraw/zinc/13/02/00/983130200.db2.gz AXRKQYXLXPBSOB-UHFFFAOYSA-N 2 0 239.322 1.853 20 0 BDADRP [NH3+]Cc1cccc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC001242020733 983227841 /nfs/dbraw/zinc/22/78/41/983227841.db2.gz WRFRNNJVKBSQFB-MNOVXSKESA-N 2 0 215.300 1.448 20 0 BDADRP CC[C@@H](C)C[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001201513920 983277325 /nfs/dbraw/zinc/27/73/25/983277325.db2.gz CXPFXBTXNDXJRA-CYBMUJFWSA-N 2 0 227.396 1.212 20 0 BDADRP CSCCC[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001201696759 983413457 /nfs/dbraw/zinc/41/34/57/983413457.db2.gz RAXWYCTZCWBVIL-UHFFFAOYSA-N 2 0 228.405 1.767 20 0 BDADRP CCCCC[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001201734829 983470533 /nfs/dbraw/zinc/47/05/33/983470533.db2.gz ASBAHEFPCZJFDN-UHFFFAOYSA-N 2 0 241.423 1.746 20 0 BDADRP CO[C@H]1CCN(C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC001356083601 983569567 /nfs/dbraw/zinc/56/95/67/983569567.db2.gz ULQBRRXCXWUCDG-RYUDHWBXSA-N 2 0 228.380 1.861 20 0 BDADRP C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001358059680 983821424 /nfs/dbraw/zinc/82/14/24/983821424.db2.gz MQNQSMBBZKNSEI-RKDXNWHRSA-N 2 0 233.315 1.212 20 0 BDADRP C[N@H+](C1CC1)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001202512624 983837372 /nfs/dbraw/zinc/83/73/72/983837372.db2.gz GBWNAVGPZRBEMZ-LBPRGKRZSA-N 2 0 238.375 1.582 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCC=CO1)C1CC[NH+](C)CC1 ZINC000379966454 984064843 /nfs/dbraw/zinc/06/48/43/984064843.db2.gz HRVXNLLZCGOQSJ-TZMCWYRMSA-N 2 0 238.375 1.999 20 0 BDADRP CN1CCC[C@H]2C[N@H+](CC3CCOCC3)C[C@H]21 ZINC001202597819 984105790 /nfs/dbraw/zinc/10/57/90/984105790.db2.gz GOJDVIFBKIOUSD-UONOGXRCSA-N 2 0 238.375 1.439 20 0 BDADRP O[C@H]1Cc2ccccc2[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC001574439937 984111592 /nfs/dbraw/zinc/11/15/92/984111592.db2.gz ISYLPLCJAKHKLH-GJZGRUSLSA-N 2 0 246.354 1.234 20 0 BDADRP C[NH+]1CCC2(C[NH+](CC3CCOCC3)C2)CC1 ZINC001202597439 984122002 /nfs/dbraw/zinc/12/20/02/984122002.db2.gz BFLNMOXIQBRFME-UHFFFAOYSA-N 2 0 238.375 1.441 20 0 BDADRP C[C@H](O)C[C@@H]1CCCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC001576273301 984165578 /nfs/dbraw/zinc/16/55/78/984165578.db2.gz UFZOJLQEOBDFLQ-RFGFWPKPSA-N 2 0 240.391 1.467 20 0 BDADRP CC1(NC2CCN(c3cc[nH+]cc3)CC2)C[NH2+]C1 ZINC001576545065 984174499 /nfs/dbraw/zinc/17/44/99/984174499.db2.gz DGOARCQCHSPHNY-UHFFFAOYSA-N 2 0 246.358 1.002 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CC[NH2+]C2)C[C@H]1C ZINC001576670169 984178829 /nfs/dbraw/zinc/17/88/29/984178829.db2.gz DNTGPOBMRMUGER-NDBYEHHHSA-N 2 0 226.364 1.125 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC001577124859 984189930 /nfs/dbraw/zinc/18/99/30/984189930.db2.gz UVBIDXPFQKODDS-MCDVFOBDSA-N 2 0 224.348 1.127 20 0 BDADRP CCCC[C@@H](COC)[NH2+][C@H]1C[C@@H]([NH3+])C1 ZINC001577400925 984196210 /nfs/dbraw/zinc/19/62/10/984196210.db2.gz PJUPVGKDRPPULV-GARJFASQSA-N 2 0 200.326 1.271 20 0 BDADRP CCCn1cc(C[NH2+]C[C@H]2C[C@H]([NH3+])C2)c(C)n1 ZINC001577622871 984199709 /nfs/dbraw/zinc/19/97/09/984199709.db2.gz ZZPKTSDJMJTSGV-AULYBMBSSA-N 2 0 236.363 1.428 20 0 BDADRP CCOC(=O)[C@H](C)[C@@H](C)[NH2+]C[C@H](C[NH3+])C(C)C ZINC001577908513 984203873 /nfs/dbraw/zinc/20/38/73/984203873.db2.gz KNOYAHMRNJVEPF-UTUOFQBUSA-N 2 0 244.379 1.395 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]C3CCC([NH3+])CC3)[C@@H]2C1 ZINC001578520743 984214399 /nfs/dbraw/zinc/21/43/99/984214399.db2.gz GEPUEUARRLXNOD-MGYRSQIZSA-N 3 0 237.391 1.186 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CCC([NH3+])CC3)[C@H]2C1 ZINC001578520742 984216590 /nfs/dbraw/zinc/21/65/90/984216590.db2.gz GEPUEUARRLXNOD-FDZXDKCCSA-N 3 0 237.391 1.186 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+]C1(CCO)CCCCC1 ZINC001579002583 984245427 /nfs/dbraw/zinc/24/54/27/984245427.db2.gz SFKXYNAEMPGDBH-LBPRGKRZSA-N 2 0 244.379 1.025 20 0 BDADRP c1cc(C2=CC[NH2+]CC2)ccc1O[C@@H]1CC[NH2+]C1 ZINC001240469539 984304161 /nfs/dbraw/zinc/30/41/61/984304161.db2.gz BCZMCZALXNILQX-OAHLLOKOSA-N 2 0 244.338 1.804 20 0 BDADRP C[NH2+]Cc1cccc(-c2cc3c(nn2)C[NH2+]C3)c1 ZINC001242994145 984358921 /nfs/dbraw/zinc/35/89/21/984358921.db2.gz BWCQQDQTYFJESW-UHFFFAOYSA-N 2 0 240.310 1.466 20 0 BDADRP C[NH2+]Cc1cccc(-c2cccc(C[NH3+])n2)c1 ZINC001242995323 984360384 /nfs/dbraw/zinc/36/03/84/984360384.db2.gz LDSHPRWZYWRYNX-UHFFFAOYSA-N 2 0 227.311 1.927 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+][C@@H]1CCC[C@@H]1CCO)C2 ZINC001580166000 984406997 /nfs/dbraw/zinc/40/69/97/984406997.db2.gz OCIRFTDKTIJUGK-XTFRJMTMSA-N 2 0 224.348 1.007 20 0 BDADRP COCCC[NH+]1CCC2(CCC[N@H+](C)C2)CC1 ZINC001274937309 984407421 /nfs/dbraw/zinc/40/74/21/984407421.db2.gz SBCCSJANSWKFSQ-UHFFFAOYSA-N 2 0 240.391 1.831 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+][C@H]1CCC[C@@H]1CCO)C2 ZINC001580165965 984408532 /nfs/dbraw/zinc/40/85/32/984408532.db2.gz OCIRFTDKTIJUGK-NQLXBKOGSA-N 2 0 224.348 1.007 20 0 BDADRP CC(C)CC[NH+]1CC2(CN(CC[NH+](C)C)C2)C1 ZINC001275102478 984483940 /nfs/dbraw/zinc/48/39/40/984483940.db2.gz OHOCEDSNYPKAQU-UHFFFAOYSA-N 2 0 239.407 1.212 20 0 BDADRP C1=C(c2ccc(OC3CC[NH2+]CC3)cc2)C[NH2+]C1 ZINC001243111697 984577787 /nfs/dbraw/zinc/57/77/87/984577787.db2.gz VVDHIAXNNLDDHV-UHFFFAOYSA-N 2 0 244.338 1.804 20 0 BDADRP C[NH+](C)Cc1cccc(C2=CC[NH2+]C2)c1F ZINC001243116477 984586509 /nfs/dbraw/zinc/58/65/09/984586509.db2.gz UJLGFBBPIPJAKU-UHFFFAOYSA-N 2 0 220.291 1.874 20 0 BDADRP CC[N@H+](Cc1ccc(N2CC[NH2+]CC2)o1)C1CC1 ZINC001577736942 984693859 /nfs/dbraw/zinc/69/38/59/984693859.db2.gz HOAQADVVQYHOAX-UHFFFAOYSA-N 2 0 249.358 1.674 20 0 BDADRP CC[N@H+](CCc1ccccc1)C[C@]1(O)CC[NH2+]C1 ZINC001577728752 984699901 /nfs/dbraw/zinc/69/99/01/984699901.db2.gz OFTCHWMFXHVUNT-HNNXBMFYSA-N 2 0 248.370 1.275 20 0 BDADRP C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccc[nH]1)CC2 ZINC001275853902 984703837 /nfs/dbraw/zinc/70/38/37/984703837.db2.gz WVYZZRLGSCBEJJ-UHFFFAOYSA-N 2 0 233.359 1.932 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CC[C@@H](F)[C@H](N)C2)CC1 ZINC001577763526 984722805 /nfs/dbraw/zinc/72/28/05/984722805.db2.gz DKVXYPAMODBSCA-CHWSQXEVSA-N 2 0 243.370 1.089 20 0 BDADRP CC[NH+]1CCC(C[N@H+](C)CCC[NH2+]C)CC1 ZINC001577764053 984731252 /nfs/dbraw/zinc/73/12/52/984731252.db2.gz PJPLXNOZQGIBOF-UHFFFAOYSA-N 2 0 227.396 1.260 20 0 BDADRP CCN1CCC[C@@H]([NH2+][C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001577770666 984779834 /nfs/dbraw/zinc/77/98/34/984779834.db2.gz MWZWMIOAUXWHQF-JHJVBQTASA-N 2 0 225.380 1.330 20 0 BDADRP CCN1CCC[C@H]([NH2+]C2CC3(CC([NH3+])C3)C2)C1 ZINC001577771358 984782829 /nfs/dbraw/zinc/78/28/29/984782829.db2.gz VWACTHJBYVGVOY-UDXKHGJESA-N 2 0 237.391 1.330 20 0 BDADRP C[N@@H+]1CCC12CN(CCC[NH+]1CCCCC1)C2 ZINC001276047413 984808182 /nfs/dbraw/zinc/80/81/82/984808182.db2.gz OZUYFSWWHGLDNQ-UHFFFAOYSA-N 2 0 237.391 1.252 20 0 BDADRP CCOC(=O)[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC001577908376 984818999 /nfs/dbraw/zinc/81/89/99/984818999.db2.gz HIROBLYPYLJCFO-WYUUTHIRSA-N 2 0 242.363 1.019 20 0 BDADRP C[N@H+]1CC[C@H]2C[NH+](Cc3cnco3)C[C@H]2CC1 ZINC001276158789 984822539 /nfs/dbraw/zinc/82/25/39/984822539.db2.gz VFJIPOAAZIPIJN-TXEJJXNPSA-N 2 0 235.331 1.448 20 0 BDADRP C[N@H+]1CC[C@H]2C[NH+](Cc3cnc[nH]3)C[C@H]2CC1 ZINC001276203656 984826935 /nfs/dbraw/zinc/82/69/35/984826935.db2.gz YSOFDMPJQTXDTN-TXEJJXNPSA-N 2 0 234.347 1.183 20 0 BDADRP C[N@@H+]1CCCC2(CC[NH+](Cc3cnoc3)CC2)C1 ZINC001276249732 984833955 /nfs/dbraw/zinc/83/39/55/984833955.db2.gz ABTIYYGGZGJKPN-UHFFFAOYSA-N 2 0 249.358 1.982 20 0 BDADRP Cn1nccc1C[NH+]1CCC2(CC[N@H+](C)C2)CC1 ZINC001276281768 984841206 /nfs/dbraw/zinc/84/12/06/984841206.db2.gz TZFRTOYTOGVOBR-UHFFFAOYSA-N 2 0 248.374 1.338 20 0 BDADRP CCO[C@@H]1CCC[C@H]1[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001578151632 984859278 /nfs/dbraw/zinc/85/92/78/984859278.db2.gz WUFQJKIQLAHRET-UVXZLIQYSA-N 2 0 224.348 1.413 20 0 BDADRP CCC(CC)N(CCC[NH3+])CCC[NH+](C)C ZINC001257289988 984870052 /nfs/dbraw/zinc/87/00/52/984870052.db2.gz JHZFHSSCPFJBGY-UHFFFAOYSA-N 2 0 229.412 1.778 20 0 BDADRP CC1CC(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000691886584 984892746 /nfs/dbraw/zinc/89/27/46/984892746.db2.gz RCBWUTUMEPEXQQ-KIDURHIOSA-N 2 0 208.349 1.892 20 0 BDADRP CCn1cc([C@@H](C)[NH2+]C2CC3(C[C@@H]3[NH3+])C2)cn1 ZINC001578344390 984986471 /nfs/dbraw/zinc/98/64/71/984986471.db2.gz RNXLTTJUYKMTTE-ZPTNAJIISA-N 2 0 234.347 1.433 20 0 BDADRP CCn1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)n1 ZINC001578353611 984990362 /nfs/dbraw/zinc/99/03/62/984990362.db2.gz MUFDPBBSUPKSLJ-LBPRGKRZSA-N 2 0 234.347 1.135 20 0 BDADRP CC[C@@H](C)[NH2+]CCCOCCOCCC[NH3+] ZINC001257430518 985001200 /nfs/dbraw/zinc/00/12/00/985001200.db2.gz VAGMSSWHQXTKBH-GFCCVEGCSA-N 2 0 232.368 1.147 20 0 BDADRP C[NH+](C)[C@H]1CCCC[C@H]1NCC12CC(C1)C[NH2+]2 ZINC001578410259 985044566 /nfs/dbraw/zinc/04/45/66/985044566.db2.gz FMOSQFSKLXQQCU-DKNRTOFZSA-N 2 0 237.391 1.201 20 0 BDADRP C[N@H+](CCCCCn1cccn1)CC(C)(C)[NH3+] ZINC001578465796 985098275 /nfs/dbraw/zinc/09/82/75/985098275.db2.gz OSNWORUSZFIDPO-UHFFFAOYSA-N 2 0 238.379 1.723 20 0 BDADRP C[N@H+](CCCc1ccncc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578469088 985098597 /nfs/dbraw/zinc/09/85/97/985098597.db2.gz ZMZSMVAOYDBKSW-WDNDVIMCSA-N 2 0 231.343 1.164 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)[C@H](C)O1 ZINC000686512773 985125692 /nfs/dbraw/zinc/12/56/92/985125692.db2.gz WOWPMNUABKOSRJ-NZEXEKPDSA-N 2 0 238.375 1.659 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@@H](NCC3(C[NH3+])CCC3)[C@H]2C1 ZINC001578521564 985142852 /nfs/dbraw/zinc/14/28/52/985142852.db2.gz XCMIMKYHJFBELL-RWMBFGLXSA-N 2 0 237.391 1.045 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H](NCC3(C[NH3+])CCC3)[C@H]2C1 ZINC001578521563 985143505 /nfs/dbraw/zinc/14/35/05/985143505.db2.gz XCMIMKYHJFBELL-AVGNSLFASA-N 2 0 237.391 1.045 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@]23CCC[C@H]2C[NH2+]C3)CC1 ZINC001578525063 985149551 /nfs/dbraw/zinc/14/95/51/985149551.db2.gz NPBOJLHRMMYNKA-KBPBESRZSA-N 3 0 237.391 1.060 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC001578524478 985149670 /nfs/dbraw/zinc/14/96/70/985149670.db2.gz XCNWFGHCTRXIDI-ZIAGYGMSSA-N 3 0 237.391 1.141 20 0 BDADRP CN1CC[C@H]1C[NH2+]Cc1ccc2c(c1)C[NH2+]CC2 ZINC001578525409 985152418 /nfs/dbraw/zinc/15/24/18/985152418.db2.gz DTPXHKKLPXPEQR-HNNXBMFYSA-N 2 0 245.370 1.126 20 0 BDADRP C[NH2+]C[C@](C)(O)C[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC001578622059 985233955 /nfs/dbraw/zinc/23/39/55/985233955.db2.gz NBJUNBXQTZCYEI-DYEKYZERSA-N 2 0 242.407 1.761 20 0 BDADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC001578622344 985234597 /nfs/dbraw/zinc/23/45/97/985234597.db2.gz SCGWUHOIHVAJQI-WCQYABFASA-N 2 0 228.380 1.325 20 0 BDADRP C[NH2+]C[C@](C)(O)C[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC001578622057 985236382 /nfs/dbraw/zinc/23/63/82/985236382.db2.gz NBJUNBXQTZCYEI-BZPMIXESSA-N 2 0 242.407 1.761 20 0 BDADRP C[NH2+]C[C@H](C)[NH2+][C@H](C)CC(C)(C)CC(=O)OC ZINC001578638545 985247458 /nfs/dbraw/zinc/24/74/58/985247458.db2.gz PGTFEWIHKQQGLX-MNOVXSKESA-N 2 0 244.379 1.552 20 0 BDADRP C[NH2+]C[C@H](O)C[N@H+](C)C[C@@H]1CCCC[C@@H]1C ZINC001578652175 985258543 /nfs/dbraw/zinc/25/85/43/985258543.db2.gz FWYVCEYMVVEWSW-AVGNSLFASA-N 2 0 228.380 1.325 20 0 BDADRP C[NH2+]C[C@H](O)C[N@H+](CCC1CC1)CC1CC1 ZINC001578652642 985263457 /nfs/dbraw/zinc/26/34/57/985263457.db2.gz LOXGITLFKUXOBX-ZDUSSCGKSA-N 2 0 226.364 1.079 20 0 BDADRP C[NH2+]C[C@H](O)C[N@H+](C)CCC1CCCCCC1 ZINC001578652993 985266147 /nfs/dbraw/zinc/26/61/47/985266147.db2.gz SAEMDUTXOBKXOB-AWEZNQCLSA-N 2 0 242.407 1.859 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H]1CCC[C@@H](SC)C1 ZINC001578691185 985292556 /nfs/dbraw/zinc/29/25/56/985292556.db2.gz MBKPPJYNMALGFY-GHMZBOCLSA-N 2 0 216.394 1.860 20 0 BDADRP C[NH2+]CCOCC[NH2+]C1CC(OC(C)(C)C)C1 ZINC001578709741 985306819 /nfs/dbraw/zinc/30/68/19/985306819.db2.gz JHAIMXCMJBGWAQ-UHFFFAOYSA-N 2 0 244.379 1.158 20 0 BDADRP COC(=O)CC(C)(C)[N@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC001578802506 985368531 /nfs/dbraw/zinc/36/85/31/985368531.db2.gz SSWJZZGHKMHXBE-MNOVXSKESA-N 2 0 242.363 1.115 20 0 BDADRP O[C@@H](CN1CCCC1)C[N@@H+]1CCC[C@H]1C1CC1 ZINC000687820163 985396590 /nfs/dbraw/zinc/39/65/90/985396590.db2.gz YWXJGZNDCVABDB-KBPBESRZSA-N 2 0 238.375 1.318 20 0 BDADRP O[C@H](CN1CCCC1)C[N@@H+]1CCC[C@H]1C1CC1 ZINC000687820164 985398246 /nfs/dbraw/zinc/39/82/46/985398246.db2.gz YWXJGZNDCVABDB-KGLIPLIRSA-N 2 0 238.375 1.318 20 0 BDADRP COC(=O)[C@H](C[NH3+])C[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC001258152807 985490010 /nfs/dbraw/zinc/49/00/10/985490010.db2.gz CBTDVBSOFSICNH-GARJFASQSA-N 2 0 242.363 1.149 20 0 BDADRP CO[C@@H](C[NH2+][C@H]1C[C@H]([NH3+])C1)C1CCCC1 ZINC001578913310 985494547 /nfs/dbraw/zinc/49/45/47/985494547.db2.gz UXCSBWSYVIVJTR-SRVKXCTJSA-N 2 0 212.337 1.271 20 0 BDADRP CCCC[NH+]1CCC([NH2+][C@H]2COC[C@H]2C)CC1 ZINC000688026634 985504309 /nfs/dbraw/zinc/50/43/09/985504309.db2.gz WASNEEUGQPWJDM-OCCSQVGLSA-N 2 0 240.391 1.875 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2COC[C@H]2C)C1 ZINC000688030319 985507264 /nfs/dbraw/zinc/50/72/64/985507264.db2.gz QXDIHBQLQROKGR-JHJVBQTASA-N 2 0 226.364 1.343 20 0 BDADRP CO[C@H](C[NH2+][C@@H](C)[C@H](C)[NH3+])CC(C)C ZINC001578912316 985514523 /nfs/dbraw/zinc/51/45/23/985514523.db2.gz CGPMABCMAHIINM-DCAQKATOSA-N 2 0 202.342 1.373 20 0 BDADRP C[C@H]([C@H](C)O)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC001459524360 985515830 /nfs/dbraw/zinc/51/58/30/985515830.db2.gz CNLGMUNGMLZULD-FRRDWIJNSA-N 2 0 226.364 1.173 20 0 BDADRP C[C@@H]1COC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000688046309 985522619 /nfs/dbraw/zinc/52/26/19/985522619.db2.gz BEPMYGLSYCJRJD-MDZLAQPJSA-N 2 0 224.348 1.095 20 0 BDADRP C[C@H](C[NH2+][C@H]1COC[C@@H]1C)C[NH+]1CCCC1 ZINC000688048773 985532865 /nfs/dbraw/zinc/53/28/65/985532865.db2.gz OSCARCIJPOCHAH-AGIUHOORSA-N 2 0 226.364 1.343 20 0 BDADRP COC1(CC[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CCC1 ZINC001578927369 985534518 /nfs/dbraw/zinc/53/45/18/985534518.db2.gz WLGKMBLFPBHXOW-TZMCWYRMSA-N 2 0 238.375 1.759 20 0 BDADRP CO[C@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C[C@H]1C ZINC001578940271 985550831 /nfs/dbraw/zinc/55/08/31/985550831.db2.gz CZNOSDPGWRPKSF-UPJWGTAASA-N 2 0 226.364 1.343 20 0 BDADRP C(=C/C1CC[NH2+]CC1)\c1cnc2c(c1)C[NH2+]CC2 ZINC001243896792 985585866 /nfs/dbraw/zinc/58/58/66/985585866.db2.gz QHFGAEXVEGOAFJ-OWOJBTEDSA-N 2 0 243.354 1.740 20 0 BDADRP COC[C@@H](C[NH2+]C[C@H]([NH3+])CCC(C)(C)C)OC ZINC001578961314 985587357 /nfs/dbraw/zinc/58/73/57/985587357.db2.gz HHSHXVFBAUPLTA-VXGBXAGGSA-N 2 0 246.395 1.391 20 0 BDADRP COCC[C@@H](C)C[NH2+]C1CC(CC[NH3+])C1 ZINC001578995096 985627541 /nfs/dbraw/zinc/62/75/41/985627541.db2.gz ONFXZSMNGFCDBL-VOMCLLRMSA-N 2 0 214.353 1.376 20 0 BDADRP COCCc1ncc(C[NH2+]CC[C@H](C)[NH3+])s1 ZINC001579067269 985689965 /nfs/dbraw/zinc/68/99/65/985689965.db2.gz CQUWYEGTWFICEG-VIFPVBQESA-N 2 0 243.376 1.159 20 0 BDADRP COc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])C2)cc(OC)c1 ZINC001579153401 985814087 /nfs/dbraw/zinc/81/40/87/985814087.db2.gz BHLVEAQXAMHVSR-PHIMTYICSA-N 2 0 236.315 1.283 20 0 BDADRP COC(=O)CC[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC001258355901 985835724 /nfs/dbraw/zinc/83/57/24/985835724.db2.gz LRXDFKYNJPPJNG-NEPJUHHUSA-N 2 0 242.363 1.402 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC001579454734 985950789 /nfs/dbraw/zinc/95/07/89/985950789.db2.gz YPIBYDKTLPEJMB-DYEKYZERSA-N 2 0 238.375 1.079 20 0 BDADRP C[C@@]12CSC[C@@H]1C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC001579475875 985988626 /nfs/dbraw/zinc/98/86/26/985988626.db2.gz YQALWISWEHHEIS-NNYUYHANSA-N 2 0 226.389 1.409 20 0 BDADRP Cc1ccc(C[NH2+]CC2(C)CC[NH+](C)CC2)nn1 ZINC001461373357 986042416 /nfs/dbraw/zinc/04/24/16/986042416.db2.gz LHLYIXCEOYSIFO-UHFFFAOYSA-N 2 0 248.374 1.607 20 0 BDADRP Cc1c(C[N@H+](C)C[C@H]2CC[C@@H]([NH3+])C2)cnn1C ZINC001579531615 986066554 /nfs/dbraw/zinc/06/65/54/986066554.db2.gz XNXXXRLKEHPJON-WCQYABFASA-N 2 0 236.363 1.288 20 0 BDADRP Cc1c[nH]c(=O)c(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)c1 ZINC001579544173 986077191 /nfs/dbraw/zinc/07/71/91/986077191.db2.gz QJEVPLDWBYZZNG-DGCLKSJQSA-N 2 0 249.358 1.573 20 0 BDADRP Cc1c[nH]c(C[NH2+]C[C@H]2CCC[NH2+]CC2)n1 ZINC001579548111 986078160 /nfs/dbraw/zinc/07/81/60/986078160.db2.gz XMOBURQECZUXPH-NSHDSACASA-N 2 0 222.336 1.197 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)CC(C)C)[C@@H](C)C1 ZINC000305135517 986080933 /nfs/dbraw/zinc/08/09/33/986080933.db2.gz OJWDJLQDNIQFOR-IHRRRGAJSA-N 2 0 242.407 1.713 20 0 BDADRP Cc1cc(C[N@H+](C)CCOCC[NH3+])cc(C)n1 ZINC001579592578 986105024 /nfs/dbraw/zinc/10/50/24/986105024.db2.gz GOMPSUMXVORJCC-UHFFFAOYSA-N 2 0 237.347 1.106 20 0 BDADRP Cc1cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc(C)n1 ZINC001579598324 986110741 /nfs/dbraw/zinc/11/07/41/986110741.db2.gz POKGBXKVBMBODF-AWEZNQCLSA-N 2 0 233.359 1.869 20 0 BDADRP Cc1cc(C[NH2+]C[C@@H]2CCC[NH2+]CC2)sn1 ZINC001579601296 986121095 /nfs/dbraw/zinc/12/10/95/986121095.db2.gz MOMLIDIKIOZDKW-LLVKDONJSA-N 2 0 239.388 1.931 20 0 BDADRP Cc1cc(NC(=O)[C@H]2C[C@H]2[NH3+])ccc1C[NH+](C)C ZINC001579632427 986147459 /nfs/dbraw/zinc/14/74/59/986147459.db2.gz FEMHDJULMSIIDF-QWHCGFSZSA-N 2 0 247.342 1.342 20 0 BDADRP CC[C@H](C)C[C@H](CC)[N@H+](CCN)CCO ZINC001258778868 986167639 /nfs/dbraw/zinc/16/76/39/986167639.db2.gz MUBFVERDSLZQSC-RYUDHWBXSA-N 2 0 216.369 1.454 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CCCOC[C@H]2C)CC1 ZINC001461865601 986201268 /nfs/dbraw/zinc/20/12/68/986201268.db2.gz FJIMISSKOXMJCE-CYBMUJFWSA-N 2 0 240.391 1.829 20 0 BDADRP Cc1cn(C)nc1C[NH2+]C1(C2CC[NH2+]CC2)CC1 ZINC001579818097 986237006 /nfs/dbraw/zinc/23/70/06/986237006.db2.gz GBCJEKBWDXMURL-UHFFFAOYSA-N 2 0 248.374 1.350 20 0 BDADRP Cc1ncccc1CC[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001579882231 986295860 /nfs/dbraw/zinc/29/58/60/986295860.db2.gz RGFNDCMXZGNSJG-MOKVOYLWSA-N 2 0 231.343 1.402 20 0 BDADRP Cc1ncc(C[NH2+]CC[C@H]2CCC[NH2+]CC2)cn1 ZINC001579877839 986296602 /nfs/dbraw/zinc/29/66/02/986296602.db2.gz FESNSEVUTHPYEK-ZDUSSCGKSA-N 2 0 248.374 1.654 20 0 BDADRP Cc1ncc(CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)cn1 ZINC001579878743 986297905 /nfs/dbraw/zinc/29/79/05/986297905.db2.gz XBSDMRXIUPBFGC-KBPBESRZSA-N 2 0 246.358 1.346 20 0 BDADRP Cc1ncoc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC001579887734 986304614 /nfs/dbraw/zinc/30/46/14/986304614.db2.gz HWJVKEYHXIYEDH-PSASIEDQSA-N 2 0 209.293 1.010 20 0 BDADRP C[NH+]1CCC2(C[NH+](C[C@H](O)C(C)(C)C)C2)CC1 ZINC001253729519 986344422 /nfs/dbraw/zinc/34/44/22/986344422.db2.gz HAZCPMARXDSKTL-LBPRGKRZSA-N 2 0 240.391 1.421 20 0 BDADRP OCCCCC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000710016899 986359413 /nfs/dbraw/zinc/35/94/13/986359413.db2.gz RYXPOKAHJMEMNM-CYBMUJFWSA-N 2 0 226.364 1.225 20 0 BDADRP Cn1cc([C@@H]2C[C@H]2C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cn1 ZINC001579969100 986368046 /nfs/dbraw/zinc/36/80/46/986368046.db2.gz CZXCYEXGCYVFOZ-ZMJPVWNMSA-N 2 0 248.374 1.241 20 0 BDADRP Cn1cc([C@@H]2C[C@H]2C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cn1 ZINC001579969098 986370240 /nfs/dbraw/zinc/37/02/40/986370240.db2.gz CZXCYEXGCYVFOZ-CDGCEXEKSA-N 2 0 248.374 1.241 20 0 BDADRP Cn1ncc(C[NH3+])c1C[NH2+][C@@H]1C[C@H]2CCC[C@@H]21 ZINC001580002555 986402508 /nfs/dbraw/zinc/40/25/08/986402508.db2.gz ZGQWLKHXIBJMQO-ADEWGFFLSA-N 2 0 234.347 1.157 20 0 BDADRP CSC1(C[NH2+]C[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001462632709 986466555 /nfs/dbraw/zinc/46/65/55/986466555.db2.gz FEXWWOZSKDMLPK-GFCCVEGCSA-N 2 0 240.416 1.813 20 0 BDADRP Cc1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)[nH]n1 ZINC001261298114 986510765 /nfs/dbraw/zinc/51/07/65/986510765.db2.gz ADMYRQRAWKNCMX-LBPRGKRZSA-N 2 0 236.363 1.540 20 0 BDADRP NC(=O)c1cccc(C[NH2+]C[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC001580107266 986575217 /nfs/dbraw/zinc/57/52/17/986575217.db2.gz VVWQSYPIKMVVPX-WCQYABFASA-N 2 0 247.342 1.003 20 0 BDADRP [NH3+]CCc1cn([C@@H]2CCCOC2)c2cc[nH+]cc12 ZINC001254370491 986596227 /nfs/dbraw/zinc/59/62/27/986596227.db2.gz RNCMTNAGPZIYHI-GFCCVEGCSA-N 2 0 245.326 1.889 20 0 BDADRP [NH3+]C1(CC[N@@H+]2CC[C@H]2C2CC2)CCOCC1 ZINC001580143952 986613090 /nfs/dbraw/zinc/61/30/90/986613090.db2.gz HQLFMCHIXCWJEE-LBPRGKRZSA-N 2 0 224.348 1.369 20 0 BDADRP Cc1ccc(CC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)nc1 ZINC000689444531 986616951 /nfs/dbraw/zinc/61/69/51/986616951.db2.gz LCRPZVNKKFNVDR-ZIAGYGMSSA-N 2 0 245.370 1.792 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC3(C2)OCCO3)C1 ZINC001580176694 986649419 /nfs/dbraw/zinc/64/94/19/986649419.db2.gz QMHYAMJQMSTUNR-IJLUTSLNSA-N 2 0 240.347 1.142 20 0 BDADRP C[C@@H]1C[N@@H+]([C@H]2CCC[NH+](C)CC2)CCCO1 ZINC001254516534 986657241 /nfs/dbraw/zinc/65/72/41/986657241.db2.gz NVKAWFHICJKMJO-OLZOCXBDSA-N 2 0 226.364 1.582 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH+]2CCC[C@@]3(CCO3)C2)CC1 ZINC001254527550 986673031 /nfs/dbraw/zinc/67/30/31/986673031.db2.gz ZRKJEXCYPTZQFI-ZIAGYGMSSA-N 2 0 238.375 1.726 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH+]2CC[C@]23CCOC3)CC1 ZINC001254532362 986677815 /nfs/dbraw/zinc/67/78/15/986677815.db2.gz RVGBGXVZRZGUOT-QWHCGFSZSA-N 2 0 224.348 1.336 20 0 BDADRP [NH3+]CC1CC([NH2+]CCCCC[NH+]2CCCC2)C1 ZINC001580254959 986707644 /nfs/dbraw/zinc/70/76/44/986707644.db2.gz GDTYVGZADFWKAX-UHFFFAOYSA-N 3 0 239.407 1.579 20 0 BDADRP [NH3+]CC1CC([NH2+]C[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001580255111 986709603 /nfs/dbraw/zinc/70/96/03/986709603.db2.gz GWLNRHHGELEBSY-YSOMNSGWSA-N 2 0 238.375 1.376 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](CC2(O)CCCCCC2)C1 ZINC001580265777 986720338 /nfs/dbraw/zinc/72/03/38/986720338.db2.gz QPKBBQGEZPVGKF-GFCCVEGCSA-N 2 0 226.364 1.352 20 0 BDADRP Nc1ncccc1C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC001580286483 986731560 /nfs/dbraw/zinc/73/15/60/986731560.db2.gz FZYVSWWGXQKMPJ-GFCCVEGCSA-N 2 0 234.347 1.367 20 0 BDADRP [NH3+]CCC1CC([NH2+]CCCOC(F)F)C1 ZINC001580286772 986733046 /nfs/dbraw/zinc/73/30/46/986733046.db2.gz KDHBJTKWPLYGCJ-UHFFFAOYSA-N 2 0 222.279 1.333 20 0 BDADRP COCC[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC000381623127 986740510 /nfs/dbraw/zinc/74/05/10/986740510.db2.gz FVSITYROHQWBOQ-UHFFFAOYSA-N 2 0 212.337 1.098 20 0 BDADRP [NH3+]CCN1CCC([NH2+]C[C@]23C[C@H]2CCC3)CC1 ZINC001580310022 986740572 /nfs/dbraw/zinc/74/05/72/986740572.db2.gz ANZGFHQGHWSVQK-OCCSQVGLSA-N 2 0 237.391 1.189 20 0 BDADRP [NH3+]CCCC[NH2+]C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001254931365 986746444 /nfs/dbraw/zinc/74/64/44/986746444.db2.gz RDDIDMAEGMRLNW-UWVGGRQHSA-N 2 0 210.321 1.073 20 0 BDADRP [NH3+]C[C@H]1C[C@H]([NH2+]Cc2ccc3nonc3c2)C1 ZINC001580332970 986768908 /nfs/dbraw/zinc/76/89/08/986768908.db2.gz CVVZXPZJAYXXTQ-MGCOHNPYSA-N 2 0 232.287 1.050 20 0 BDADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H]2C[C@@H]3COC[C@@H]32)CC1 ZINC001580331452 986777828 /nfs/dbraw/zinc/77/78/28/986777828.db2.gz PEPRKLZWAIPIMN-POQQGIQPSA-N 2 0 238.375 1.376 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H](c2ncccn2)C2CC2)C1 ZINC001580389918 986814671 /nfs/dbraw/zinc/81/46/71/986814671.db2.gz XDVDXIHTNYGMMJ-UHTWSYAYSA-N 2 0 246.358 1.645 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+]Cc2cccnc2)C1 ZINC001580389521 986815027 /nfs/dbraw/zinc/81/50/27/986815027.db2.gz MIHHUYJIUGQZNO-CMPLNLGQSA-N 2 0 205.305 1.299 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cccn2C(F)F)C1 ZINC001580422883 986839503 /nfs/dbraw/zinc/83/95/03/986839503.db2.gz GKNJJVNQTXGVPS-OCAPTIKFSA-N 2 0 215.247 1.463 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]C[C@@H]2CC2(Cl)Cl)C1 ZINC001580429907 986846687 /nfs/dbraw/zinc/84/66/87/986846687.db2.gz APDIPYGRXNVKOW-ACZMJKKPSA-N 2 0 209.120 1.260 20 0 BDADRP Nc1ncccc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC001580472518 986867965 /nfs/dbraw/zinc/86/79/65/986867965.db2.gz LLWVIFVTSPQYGN-MNOVXSKESA-N 2 0 220.320 1.023 20 0 BDADRP Nc1ncccc1C[NH2+]C1(C2CC[NH2+]CC2)CC1 ZINC001580472633 986868653 /nfs/dbraw/zinc/86/86/53/986868653.db2.gz REQFWFBPYRFOCU-UHFFFAOYSA-N 2 0 246.358 1.286 20 0 BDADRP FC(F)(F)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709454655 986942254 /nfs/dbraw/zinc/94/22/54/986942254.db2.gz GUISWLJAXKRGHD-JVHMLUBASA-N 2 0 222.254 1.811 20 0 BDADRP C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001255437689 986958988 /nfs/dbraw/zinc/95/89/88/986958988.db2.gz DOYASAGMJSTNHG-GFCCVEGCSA-N 2 0 225.380 1.107 20 0 BDADRP C[NH+](C)Cc1cncc(-c2ccncc2C[NH3+])c1 ZINC001245563057 986959245 /nfs/dbraw/zinc/95/92/45/986959245.db2.gz XTTGVGAHUFHZMH-UHFFFAOYSA-N 2 0 242.326 1.664 20 0 BDADRP CN1CCC[C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)C1 ZINC001255469891 986974171 /nfs/dbraw/zinc/97/41/71/986974171.db2.gz GITYFWLHGHXPEM-KGLIPLIRSA-N 2 0 239.407 1.402 20 0 BDADRP C[N@@H+]1CCC[C@H](N2CC([NH+]3CCCCC3)C2)C1 ZINC001255488825 986988441 /nfs/dbraw/zinc/98/84/41/986988441.db2.gz HURLNGOEERCVEY-ZDUSSCGKSA-N 2 0 237.391 1.251 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]CCC(=O)OC ZINC001255942746 987076873 /nfs/dbraw/zinc/07/68/73/987076873.db2.gz AUWFIRPOUMOQQD-LLVKDONJSA-N 2 0 230.352 1.260 20 0 BDADRP [NH3+]Cc1ccnc(-c2ccc3c[nH+]cn3c2)c1 ZINC001245895378 987113624 /nfs/dbraw/zinc/11/36/24/987113624.db2.gz XPWXWWOPXUTVAJ-UHFFFAOYSA-N 2 0 224.267 1.855 20 0 BDADRP CCCC[C@H](O)C[NH2+]C[C@@H]1CCC[NH2+][C@@H]1C ZINC001245975964 987248379 /nfs/dbraw/zinc/24/83/79/987248379.db2.gz AKSBCWVRDLMQTI-AGIUHOORSA-N 2 0 228.380 1.515 20 0 BDADRP CCCCC[C@H](O)C[NH2+]C[C@H]1C[NH2+]CC[C@@H]1C ZINC001245980253 987254574 /nfs/dbraw/zinc/25/45/74/987254574.db2.gz CCBVWPIBJXLYHZ-MJBXVCDLSA-N 2 0 242.407 1.763 20 0 BDADRP CCCC[C@@H](O)C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001245980232 987259666 /nfs/dbraw/zinc/25/96/66/987259666.db2.gz HLMDUTSNNYKQNR-VXGBXAGGSA-N 2 0 214.353 1.127 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+]C[C@H](O)C(C)(C)C ZINC001245984600 987264708 /nfs/dbraw/zinc/26/47/08/987264708.db2.gz QYBRELLAURCCIZ-TUAOUCFPSA-N 2 0 228.380 1.371 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](C[NH2+]C[C@H](O)C(C)(C)C)C1 ZINC001245989857 987265992 /nfs/dbraw/zinc/26/59/92/987265992.db2.gz HDSHKLKIOUSHMY-TUAOUCFPSA-N 2 0 228.380 1.229 20 0 BDADRP CCCCC[C@H](O)C[NH2+]C[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001245988705 987273104 /nfs/dbraw/zinc/27/31/04/987273104.db2.gz FEZJZPHGIVMINI-IHRRRGAJSA-N 2 0 242.407 1.763 20 0 BDADRP CCCC[C@H](O)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC001245992949 987273887 /nfs/dbraw/zinc/27/38/87/987273887.db2.gz FZFOVUUWWUSBQK-TUAOUCFPSA-N 2 0 214.353 1.397 20 0 BDADRP CC(C)(C)[C@H](O)C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246016552 987302538 /nfs/dbraw/zinc/30/25/38/987302538.db2.gz LZVRSJDHEDJVEH-GHMZBOCLSA-N 2 0 214.353 1.207 20 0 BDADRP CC(C)(C)[C@H](O)C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246023084 987313625 /nfs/dbraw/zinc/31/36/25/987313625.db2.gz RZTWDFNUDABOGW-YPMHNXCESA-N 2 0 228.380 1.597 20 0 BDADRP CC(C)(O)C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246025324 987318700 /nfs/dbraw/zinc/31/87/00/987318700.db2.gz WOTQCFZVVNSYQR-GFCCVEGCSA-N 2 0 214.353 1.208 20 0 BDADRP CC(C)(C)[C@H](O)C[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246025923 987319231 /nfs/dbraw/zinc/31/92/31/987319231.db2.gz YHIQSBVKTVPORE-YPMHNXCESA-N 2 0 246.370 1.546 20 0 BDADRP CCCC[C@H](O)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001246024431 987319729 /nfs/dbraw/zinc/31/97/29/987319729.db2.gz VRLLHPBILBQEMA-IHRRRGAJSA-N 2 0 242.407 1.844 20 0 BDADRP CC(C)(C)[C@H](O)C[NH+]1CCC(F)(C[NH3+])CC1 ZINC001246031833 987332607 /nfs/dbraw/zinc/33/26/07/987332607.db2.gz WXUKMJJHALCLOC-SNVBAGLBSA-N 2 0 232.343 1.156 20 0 BDADRP CC(C)CC[C@H](O)C[NH+]1CCC([NH3+])CC1 ZINC000695437840 987333893 /nfs/dbraw/zinc/33/38/93/987333893.db2.gz DNPYOTRCUFIANK-LBPRGKRZSA-N 2 0 214.353 1.207 20 0 BDADRP CCC[C@@H](O)C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246050275 987346464 /nfs/dbraw/zinc/34/64/64/987346464.db2.gz FLOCLDWYXQCMAI-FRRDWIJNSA-N 2 0 226.364 1.079 20 0 BDADRP COCC[N@H+](CCF)CCCC1CC[NH2+]CC1 ZINC000697278729 987351769 /nfs/dbraw/zinc/35/17/69/987351769.db2.gz ZACATEONTDTGKK-UHFFFAOYSA-N 2 0 246.370 1.684 20 0 BDADRP C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246063884 987352856 /nfs/dbraw/zinc/35/28/56/987352856.db2.gz DIJOUAQZBCIRTM-UPJWGTAASA-N 2 0 237.391 1.249 20 0 BDADRP C(C[NH+]1CCCCCC1)NC1=[NH+]CCCCN1 ZINC000697670440 987363219 /nfs/dbraw/zinc/36/32/19/987363219.db2.gz KTBCGZFITUXRRL-UHFFFAOYSA-N 2 0 238.379 1.191 20 0 BDADRP C[C@@H](CC[NH2+][C@H]1COC(C)(C)C1)[NH+](C)C ZINC000697835952 987366916 /nfs/dbraw/zinc/36/69/16/987366916.db2.gz GPVDLFMJOYIJIR-WDEREUQCSA-N 2 0 214.353 1.484 20 0 BDADRP C[C@@H](CC[NH2+]C[C@H]1CCCOC1)[NH+](C)C ZINC000697890541 987366942 /nfs/dbraw/zinc/36/69/42/987366942.db2.gz OJPGWABSMXGORX-NWDGAFQWSA-N 2 0 214.353 1.343 20 0 BDADRP C(C1CC1)[NH+]1CCC(NC2CC[NH2+]CC2)CC1 ZINC001246077990 987368704 /nfs/dbraw/zinc/36/87/04/987368704.db2.gz LXUWMBIUSHAJGJ-UHFFFAOYSA-N 2 0 237.391 1.202 20 0 BDADRP C[NH+](C)C1CCC([NH2+]CC2([NH3+])CCCC2)CC1 ZINC001246077430 987369008 /nfs/dbraw/zinc/36/90/08/987369008.db2.gz WMVOASLBYSNSKH-UHFFFAOYSA-N 3 0 239.407 1.720 20 0 BDADRP CC1(C)C[C@@H](NCC2([NH3+])CCCC2)CC[NH2+]1 ZINC001246076581 987369187 /nfs/dbraw/zinc/36/91/87/987369187.db2.gz QCXZCOPHDNKJBI-NSHDSACASA-N 2 0 225.380 1.378 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N[C@@H]1CC[NH2+]C[C@@H]1F ZINC001246080117 987373596 /nfs/dbraw/zinc/37/35/96/987373596.db2.gz DRJPCFJTWGECBJ-RWMBFGLXSA-N 2 0 245.386 1.396 20 0 BDADRP CC1(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CCCC1 ZINC001246084163 987380944 /nfs/dbraw/zinc/38/09/44/987380944.db2.gz WQBCKFJRESTOLF-LBPRGKRZSA-N 2 0 237.391 1.250 20 0 BDADRP C[C@H]1CC[C@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[NH2+]1 ZINC001246083731 987382467 /nfs/dbraw/zinc/38/24/67/987382467.db2.gz JANLFPPSTIXRTD-HPCHECBXSA-N 2 0 237.391 1.390 20 0 BDADRP COC(=O)CC[C@H](C)[NH2+]C[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246089412 987394882 /nfs/dbraw/zinc/39/48/82/987394882.db2.gz CUGLZIUCMOGRMQ-WOPDTQHZSA-N 2 0 242.363 1.306 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246090965 987394913 /nfs/dbraw/zinc/39/49/13/987394913.db2.gz CEMBTSOQRCXQRV-WOPDTQHZSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@H]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)O3)C[NH2+]1 ZINC001246096054 987404828 /nfs/dbraw/zinc/40/48/28/987404828.db2.gz LOKTWMWJVZGLFG-WSOGJNRSSA-N 2 0 238.375 1.674 20 0 BDADRP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@](C)(O)CC2)CC[NH2+]1 ZINC001246094414 987404853 /nfs/dbraw/zinc/40/48/53/987404853.db2.gz XPKSUJGPKJSMNU-ZDEQEGDKSA-N 2 0 226.364 1.410 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@](C)(O)CC2)CC[NH2+]1 ZINC001246094398 987405107 /nfs/dbraw/zinc/40/51/07/987405107.db2.gz XPKSUJGPKJSMNU-LPWJVIDDSA-N 2 0 226.364 1.410 20 0 BDADRP C[C@@H]1CC[C@@H](CN[C@@H]2CC[NH2+][C@@H](C)C2)C[NH2+]1 ZINC001246096848 987408200 /nfs/dbraw/zinc/40/82/00/987408200.db2.gz NAYSBABUHDRKKL-YVECIDJPSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCC[NH2+]CC2)C[NH2+]1 ZINC001246096463 987410270 /nfs/dbraw/zinc/41/02/70/987410270.db2.gz UYUOYSUTTDQCHU-FRRDWIJNSA-N 3 0 225.380 1.106 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246098958 987412866 /nfs/dbraw/zinc/41/28/66/987412866.db2.gz UITAIAHHXPXBFE-SYCZCVCYSA-N 2 0 237.391 1.247 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246098959 987415697 /nfs/dbraw/zinc/41/56/97/987415697.db2.gz UITAIAHHXPXBFE-YIPFDTCYSA-N 2 0 237.391 1.247 20 0 BDADRP C[C@H](Cc1ccccn1)[NH2+]C[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001246099680 987416385 /nfs/dbraw/zinc/41/63/85/987416385.db2.gz MHGKPVFXXNFLMN-MJBXVCDLSA-N 2 0 247.386 1.848 20 0 BDADRP CC(C)(C)[C@@H]1C[C@@H](N[C@@]2(C)CC[NH2+]C2)CC[NH2+]1 ZINC001246099667 987417569 /nfs/dbraw/zinc/41/75/69/987417569.db2.gz YEXZTLWIWREOSL-OBJOEFQTSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H]1CC[C@H](CN[C@@H]2CC[C@@H](C)[NH2+]C2)C[NH2+]1 ZINC001246099704 987417774 /nfs/dbraw/zinc/41/77/74/987417774.db2.gz RVBJOSLCSAHOJJ-FVCCEPFGSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](C[NH2+][C@H]2CCCOC2)C1 ZINC001246099665 987419862 /nfs/dbraw/zinc/41/98/62/987419862.db2.gz MGMAEDHOTSTBQF-TUAOUCFPSA-N 2 0 212.337 1.001 20 0 BDADRP C[C@@H]1CC[C@H](CN[C@@H]2CCC[N@H+](C)CC2)C[NH2+]1 ZINC001246102028 987422426 /nfs/dbraw/zinc/42/24/26/987422426.db2.gz WFAVTJRNHMMIJB-HZSPNIEDSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+][C@H]2COC(C)(C)C2)C[NH2+]1 ZINC001246104024 987429794 /nfs/dbraw/zinc/42/97/94/987429794.db2.gz ZOCLKUIIJNOBOH-IJLUTSLNSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1C[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001246109772 987441835 /nfs/dbraw/zinc/44/18/35/987441835.db2.gz GYBKPJZVZIJIEK-BNDIWNMDSA-N 2 0 208.349 1.620 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1CN[C@@H]1CCCC[NH2+]C1 ZINC001246112592 987448984 /nfs/dbraw/zinc/44/89/84/987448984.db2.gz RSBLLRQSLSESMV-RWMBFGLXSA-N 2 0 225.380 1.106 20 0 BDADRP C[C@@H]1CC[C@H](CN[C@H]2CCC[NH2+]CC2)[NH2+]C1 ZINC001246113951 987449305 /nfs/dbraw/zinc/44/93/05/987449305.db2.gz OKVDFTAZQWZHBV-FRRDWIJNSA-N 2 0 225.380 1.106 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1C[NH2+][C@H]1CCCSC1 ZINC001246113849 987450344 /nfs/dbraw/zinc/45/03/44/987450344.db2.gz UKOGGCWQJKRUDY-SRVKXCTJSA-N 2 0 228.405 1.860 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](F)C2)CC[NH2+]1 ZINC001246112438 987450412 /nfs/dbraw/zinc/45/04/12/987450412.db2.gz UHCMVHZKZVOGRJ-CHWFTXMASA-N 2 0 200.301 1.607 20 0 BDADRP CC[C@@H]1C[C@H](N[C@@H]2CCC[NH2+]C2)C[C@H](CC)[NH2+]1 ZINC001246113011 987450643 /nfs/dbraw/zinc/45/06/43/987450643.db2.gz WLHSWKXOTLWWCX-RQJABVFESA-N 2 0 239.407 1.637 20 0 BDADRP CC[C@@H]1C[C@H](N[C@@H]2CC[NH2+]C2)C[C@H](CC)[NH2+]1 ZINC001246115926 987453312 /nfs/dbraw/zinc/45/33/12/987453312.db2.gz KTYFULUQXHWDBW-XQHKEYJVSA-N 2 0 225.380 1.247 20 0 BDADRP C[C@@H]1C[C@@H](NC[C@]2(F)CCCC[NH2+]C2)CC[NH2+]1 ZINC001246114541 987456841 /nfs/dbraw/zinc/45/68/41/987456841.db2.gz PXNWIOSHPIESOY-AGIUHOORSA-N 2 0 243.370 1.198 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1CN[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246116816 987457579 /nfs/dbraw/zinc/45/75/79/987457579.db2.gz XENNVWKZDNDHJP-JHJVBQTASA-N 2 0 239.407 1.352 20 0 BDADRP CC[C@@H]1C[C@H](NC2CC([NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246117247 987458112 /nfs/dbraw/zinc/45/81/12/987458112.db2.gz YLAXBZSCVQTTQP-DNGPIDQHSA-N 2 0 225.380 1.375 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1CN[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246116814 987461173 /nfs/dbraw/zinc/46/11/73/987461173.db2.gz XENNVWKZDNDHJP-AGIUHOORSA-N 2 0 239.407 1.352 20 0 BDADRP CC(C)C[C@H](C)C[C@H](C)[NH2+]CCC1(O)C[NH2+]C1 ZINC001246117860 987462760 /nfs/dbraw/zinc/46/27/60/987462760.db2.gz MHYNBEKJNZRJIP-STQMWFEESA-N 2 0 242.407 1.761 20 0 BDADRP C[C@H]1CC[C@H](N(CC[NH3+])Cc2ccccc2)C[NH2+]1 ZINC001246126733 987472282 /nfs/dbraw/zinc/47/22/82/987472282.db2.gz IRTPQUJEJLMIFR-ZFWWWQNUSA-N 2 0 247.386 1.588 20 0 BDADRP C1CC2(C[C@H]1[NH2+][C@@H]1CCCNC1)CC[NH2+]CC2 ZINC001246125680 987474145 /nfs/dbraw/zinc/47/41/45/987474145.db2.gz FNZKQUBYDRFDOL-QWHCGFSZSA-N 2 0 237.391 1.250 20 0 BDADRP C[C@@H]1CC[C@@H](N(CC[NH3+])Cc2ccccc2)C[NH2+]1 ZINC001246126732 987474171 /nfs/dbraw/zinc/47/41/71/987474171.db2.gz IRTPQUJEJLMIFR-UKRRQHHQSA-N 2 0 247.386 1.588 20 0 BDADRP CCCCCC[C@H](C)[NH2+][C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001246139671 987498396 /nfs/dbraw/zinc/49/83/96/987498396.db2.gz VEPAZWVWQPZOER-REWJHTLYSA-N 2 0 240.391 1.922 20 0 BDADRP CC[C@H](C[C@@H](C)CC)[NH2+][C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001246139898 987499323 /nfs/dbraw/zinc/49/93/23/987499323.db2.gz XOROEVNUHAOOGU-RYMFRWLXSA-N 2 0 240.391 1.778 20 0 BDADRP CCC1CCC([NH2+][C@H]2CO[C@@H]3C[NH2+]C[C@H]23)CC1 ZINC001246147177 987504416 /nfs/dbraw/zinc/50/44/16/987504416.db2.gz KBLYHAKZTANLMG-MYXTYHMWSA-N 2 0 238.375 1.532 20 0 BDADRP c1cc2c(s1)[C@H](N[C@@H]1CCC[NH2+]C1)C[NH2+]C2 ZINC001246144775 987505047 /nfs/dbraw/zinc/50/50/47/987505047.db2.gz VABVSGRSYGRBAL-GHMZBOCLSA-N 2 0 237.372 1.234 20 0 BDADRP C[C@H]1C[C@@H](N[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)CC[NH2+]1 ZINC001246147996 987506154 /nfs/dbraw/zinc/50/61/54/987506154.db2.gz NPWGDBBOQXXEQB-ZUWCUPBKSA-N 2 0 237.391 1.105 20 0 BDADRP C[NH2+]CC[C@H](C)[NH2+]C[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001246150179 987509069 /nfs/dbraw/zinc/50/90/69/987509069.db2.gz MWJMHXDUXDVPLH-CRWXNKLISA-N 3 0 239.407 1.210 20 0 BDADRP CCC[NH+](CCC)CCN[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246160997 987522884 /nfs/dbraw/zinc/52/28/84/987522884.db2.gz IFIPBOMVTOWBEN-KBPBESRZSA-N 2 0 241.423 1.839 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246161926 987523996 /nfs/dbraw/zinc/52/39/96/987523996.db2.gz BYVKCKAZCFOIEX-CYDGBPFRSA-N 3 0 225.380 1.234 20 0 BDADRP Oc1cccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001246158364 987524883 /nfs/dbraw/zinc/52/48/83/987524883.db2.gz KLRJYXXYBBECKK-PBWFPOADSA-N 2 0 246.354 1.807 20 0 BDADRP C(N[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@@H]1CCCC[NH2+]1 ZINC001246167756 987528839 /nfs/dbraw/zinc/52/88/39/987528839.db2.gz FZIZPCLNCRLWTE-CRWXNKLISA-N 2 0 237.391 1.391 20 0 BDADRP CCCC[N@H+](C)CCN[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246167687 987528977 /nfs/dbraw/zinc/52/89/77/987528977.db2.gz AAGQOAZFHXYROR-CHWSQXEVSA-N 2 0 227.396 1.448 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCCCC[NH+](C)C)CC[NH2+]1 ZINC001246173641 987537261 /nfs/dbraw/zinc/53/72/61/987537261.db2.gz URQDXSIJMGEGMR-STQMWFEESA-N 3 0 227.396 1.448 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCn2cccc2)CC[NH2+]1 ZINC001246174463 987543368 /nfs/dbraw/zinc/54/33/68/987543368.db2.gz QKTGAOMMLBVJDJ-RYUDHWBXSA-N 2 0 207.321 1.218 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)c1ccccc1 ZINC001246176416 987544081 /nfs/dbraw/zinc/54/40/81/987544081.db2.gz QDDYUQQBDLZZKW-TZMCWYRMSA-N 2 0 245.370 1.431 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC23CC[NH2+]CC3)CC[NH2+]1 ZINC001246180767 987555028 /nfs/dbraw/zinc/55/50/28/987555028.db2.gz PITSUCPBQHOKGI-JHJVBQTASA-N 3 0 237.391 1.106 20 0 BDADRP C[C@H]1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[NH2+]1 ZINC001246184456 987560432 /nfs/dbraw/zinc/56/04/32/987560432.db2.gz LSBJOBJPPKAVQR-VJTDZRGJSA-N 2 0 237.391 1.342 20 0 BDADRP CC1(C)C[C@H](N[C@@]2(C)CCC[NH2+]C2)CC[NH2+]1 ZINC001246186568 987566659 /nfs/dbraw/zinc/56/66/59/987566659.db2.gz DDQGRCACVPMFKA-YPMHNXCESA-N 2 0 225.380 1.249 20 0 BDADRP C([NH2+][C@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@H]1CCC[NH2+]1 ZINC001246186237 987567209 /nfs/dbraw/zinc/56/72/09/987567209.db2.gz GPUISYGIJRZHJR-MJBXVCDLSA-N 3 0 237.391 1.250 20 0 BDADRP CCOC(=O)C1(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246188509 987572860 /nfs/dbraw/zinc/57/28/60/987572860.db2.gz JVUWMHQPYURJSY-GHMZBOCLSA-N 2 0 240.347 1.060 20 0 BDADRP O=C1C[C@@H]2CC([NH2+]C[C@H]3CCC[NH2+]3)C[C@H]2C1 ZINC001246188087 987574544 /nfs/dbraw/zinc/57/45/44/987574544.db2.gz UNKDANFGWTZPIQ-GARJFASQSA-N 2 0 222.332 1.086 20 0 BDADRP CC(C)[C@@H]1C[C@H](N[C@@]2(C)CCC[NH2+]C2)CC[NH2+]1 ZINC001246191173 987579944 /nfs/dbraw/zinc/57/99/44/987579944.db2.gz UZBGYFHMQKEDSL-RDBSUJKOSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C2(C3CCOCC3)CC2)CC[NH2+]1 ZINC001246195466 987584503 /nfs/dbraw/zinc/58/45/03/987584503.db2.gz OLYNWTARDKTRMI-WCQYABFASA-N 2 0 238.375 1.676 20 0 BDADRP C[C@H]1C[C@@H](n2cc3cc(C[NH3+])ccc3n2)CC[NH2+]1 ZINC001246195217 987584593 /nfs/dbraw/zinc/58/45/93/987584593.db2.gz LHVDKSRVEZIOAL-GWCFXTLKSA-N 2 0 244.342 1.808 20 0 BDADRP CCOC(=O)C[C@H](C)[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC001246193796 987585426 /nfs/dbraw/zinc/58/54/26/987585426.db2.gz QBTJGLFBYJZIPI-DCAQKATOSA-N 2 0 228.336 1.058 20 0 BDADRP COCC1([NH2+][C@H]2CC[NH2+][C@H](C)C2)CCC1 ZINC001246196510 987590792 /nfs/dbraw/zinc/59/07/92/987590792.db2.gz SXWSAZXVQCKJRN-MNOVXSKESA-N 2 0 212.337 1.286 20 0 BDADRP C[C@@H]1CC[C@@H](NCc2cccc(C[NH3+])c2)C[NH2+]1 ZINC001246196615 987592623 /nfs/dbraw/zinc/59/26/23/987592623.db2.gz VEAVEZVUWZJFGR-BXUZGUMPSA-N 2 0 233.359 1.375 20 0 BDADRP C[C@H]1CC[C@H](n2nc(C[NH3+])c3ccccc32)C[NH2+]1 ZINC001246199438 987594119 /nfs/dbraw/zinc/59/41/19/987594119.db2.gz JXCLXNMOTSURJA-QWRGUYRKSA-N 2 0 244.342 1.808 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])CC2)CC[NH2+]1 ZINC001246199951 987595887 /nfs/dbraw/zinc/59/58/87/987595887.db2.gz BYVKCKAZCFOIEX-RVMXOQNASA-N 3 0 225.380 1.234 20 0 BDADRP C[NH2+]CC[C@H](C)[NH2+]CC[C@H]1CC[C@@H]([NH3+])CC1 ZINC001246202057 987599881 /nfs/dbraw/zinc/59/98/81/987599881.db2.gz LWSCXHPFYXOHKO-RWMBFGLXSA-N 3 0 227.396 1.482 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1CCC[C@@H]([NH3+])C1)C2 ZINC001246206437 987604093 /nfs/dbraw/zinc/60/40/93/987604093.db2.gz OZIIYFKESFVPLC-XGFWRYKXSA-N 2 0 237.391 1.471 20 0 BDADRP CCC[C@@H](CC)[NH2+]C1CN(C2CC[NH2+]CC2)C1 ZINC001246213951 987610168 /nfs/dbraw/zinc/61/01/68/987610168.db2.gz GTTXSDVEGCQUQE-GFCCVEGCSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]CC2)CC[NH2+]1 ZINC001246223265 987619365 /nfs/dbraw/zinc/61/93/65/987619365.db2.gz JPBPCFJCFKSELH-UPJWGTAASA-N 3 0 225.380 1.106 20 0 BDADRP C[NH2+]CC[C@H](C)[NH2+][C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246226917 987621998 /nfs/dbraw/zinc/62/19/98/987621998.db2.gz SMRLALUFODOSSH-BFHYXJOUSA-N 3 0 239.407 1.496 20 0 BDADRP CC(C)CC[C@H](C)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246226758 987622971 /nfs/dbraw/zinc/62/29/71/987622971.db2.gz JLFIBUATFGFDHR-QWHCGFSZSA-N 2 0 239.407 1.495 20 0 BDADRP CCC1(N[C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)C[NH2+]C1 ZINC001246226239 987623017 /nfs/dbraw/zinc/62/30/17/987623017.db2.gz BYHMXFFWCVTROL-NEPJUHHUSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@]1(O)C[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246223764 987623042 /nfs/dbraw/zinc/62/30/42/987623042.db2.gz UYJWQUHHWVNDLG-GYSPRSAJSA-N 2 0 224.348 1.020 20 0 BDADRP C1C[C@@]2(C[NH2+]1)CCC[C@@H]([NH2+][C@@H]1CCCNC1)C2 ZINC001246228193 987626963 /nfs/dbraw/zinc/62/69/63/987626963.db2.gz VKOXWZOJDPXKEM-MCIONIFRSA-N 3 0 237.391 1.250 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCOc2cccnc2)CC[NH2+]1 ZINC001246232856 987630315 /nfs/dbraw/zinc/63/03/15/987630315.db2.gz SGHPWVSVQYDBLD-NEPJUHHUSA-N 2 0 235.331 1.191 20 0 BDADRP C[C@@H]1CC[C@H](N[C@H]2CCCC[C@@H]2[NH+](C)C)C[NH2+]1 ZINC001246235363 987632998 /nfs/dbraw/zinc/63/29/98/987632998.db2.gz JZGKSLJYUNIDMA-RFGFWPKPSA-N 2 0 239.407 1.589 20 0 BDADRP c1ccc(CCCC[NH2+]C2CC[NH2+]CC2)nc1 ZINC001246236975 987634555 /nfs/dbraw/zinc/63/45/55/987634555.db2.gz FJWNOXJOVPWBKO-UHFFFAOYSA-N 2 0 233.359 1.746 20 0 BDADRP CCCCC[C@@H](C)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246236356 987635869 /nfs/dbraw/zinc/63/58/69/987635869.db2.gz WNAIGBRYKVUKIV-CHWSQXEVSA-N 2 0 239.407 1.639 20 0 BDADRP CC[C@@H]1C[C@@H](NCC[C@@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001246238900 987638324 /nfs/dbraw/zinc/63/83/24/987638324.db2.gz AUZGGSPBMHJYJH-RDBSUJKOSA-N 2 0 239.407 1.639 20 0 BDADRP C[C@@H]1CC(NCC[C@@H]2CCCC[NH2+]2)C[C@@H](C)[NH2+]1 ZINC001246241973 987644734 /nfs/dbraw/zinc/64/47/34/987644734.db2.gz DHRPWRDOVPYMNW-UPJWGTAASA-N 2 0 239.407 1.637 20 0 BDADRP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)C1CC[NH2+]CC1 ZINC001246254618 987653984 /nfs/dbraw/zinc/65/39/84/987653984.db2.gz ZGABNNYBIKRNHQ-AAEUAGOBSA-N 3 0 225.380 1.106 20 0 BDADRP C[C@H]1C[C@@H](n2nnc3ccc(C[NH3+])cc32)CC[NH2+]1 ZINC001246276998 987669070 /nfs/dbraw/zinc/66/90/70/987669070.db2.gz FZHXFTNOYTUSQU-ONGXEEELSA-N 2 0 245.330 1.203 20 0 BDADRP CC[C@@H]1C[C@H](NCC2([NH3+])CCCCC2)CC[NH2+]1 ZINC001246280379 987674582 /nfs/dbraw/zinc/67/45/82/987674582.db2.gz UIMHHXOTGFQSDG-CHWSQXEVSA-N 2 0 239.407 1.768 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cc[nH]c(=O)c3)[C@@H]2C1 ZINC001474303317 987680949 /nfs/dbraw/zinc/68/09/49/987680949.db2.gz XGCRAMOHIMRFSL-XQQFMLRXSA-N 2 0 247.342 1.217 20 0 BDADRP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(N)cc1 ZINC001246290333 987681232 /nfs/dbraw/zinc/68/12/32/987681232.db2.gz QJWQBZAHZCJZIN-SNVBAGLBSA-N 2 0 219.332 1.671 20 0 BDADRP C[C@H](CC[NH3+])[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246300773 987697506 /nfs/dbraw/zinc/69/75/06/987697506.db2.gz OQYIINPXBZXMFU-GFCCVEGCSA-N 3 0 239.407 1.626 20 0 BDADRP CC[C@@H]1C[C@@H](N[C@@H](C)CC[NH3+])C[C@H](CC)[NH2+]1 ZINC001246301680 987698504 /nfs/dbraw/zinc/69/85/04/987698504.db2.gz UVSQUMQTHALNTE-RVMXOQNASA-N 2 0 227.396 1.623 20 0 BDADRP COC(=O)CC1CCC([NH2+]CC[C@H](C)[NH3+])CC1 ZINC001246303359 987701076 /nfs/dbraw/zinc/70/10/76/987701076.db2.gz HYBRENVKXAPNBC-UNXYVOJBSA-N 2 0 242.363 1.435 20 0 BDADRP CCOC1CCC([NH2+]CC[C@H](C)[NH3+])CC1 ZINC001246306675 987703051 /nfs/dbraw/zinc/70/30/51/987703051.db2.gz RXYVPDYDLNMJIN-UNXYVOJBSA-N 2 0 214.353 1.661 20 0 BDADRP C[C@H]([NH3+])CC[NH2+]C1CC(C)(C)N(O)C(C)(C)C1 ZINC001246306765 987704553 /nfs/dbraw/zinc/70/45/53/987704553.db2.gz SNQOVOKHFGWRRG-JTQLQIEISA-N 2 0 243.395 1.724 20 0 BDADRP CC[C@@H]1C[C@H](NCC[C@@H](C)[NH3+])C[C@H](CC)[NH2+]1 ZINC001246306656 987706144 /nfs/dbraw/zinc/70/61/44/987706144.db2.gz RHFBROUPAIWLTA-NDBYEHHHSA-N 2 0 227.396 1.623 20 0 BDADRP C[C@H]1CC[C@@H](NC[C@@H]([NH3+])Cc2ccccc2)C[NH2+]1 ZINC001246307802 987708259 /nfs/dbraw/zinc/70/82/59/987708259.db2.gz NHAPEJHMSJEZEU-AEGPPILISA-N 2 0 247.386 1.287 20 0 BDADRP C[C@H]([NH3+])CC[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC001246307620 987709065 /nfs/dbraw/zinc/70/90/65/987709065.db2.gz ZMZJIUDUFLTKBE-IVZWLZJFSA-N 2 0 200.326 1.269 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246311660 987713662 /nfs/dbraw/zinc/71/36/62/987713662.db2.gz QQNRCQQTEOOBQF-VXGBXAGGSA-N 2 0 227.396 1.480 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@@H](C)CCOCC(C)C ZINC001246313665 987715779 /nfs/dbraw/zinc/71/57/79/987715779.db2.gz JYSPYTJMPFPSJR-NWDGAFQWSA-N 2 0 216.369 1.765 20 0 BDADRP CCOC1CCC([NH2+]C[C@@H]([NH3+])CC)CC1 ZINC001246314068 987716280 /nfs/dbraw/zinc/71/62/80/987716280.db2.gz NZOPDGHPLCXNQQ-UNXYVOJBSA-N 2 0 214.353 1.661 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H](C)CCOC(C)C ZINC001246313752 987716524 /nfs/dbraw/zinc/71/65/24/987716524.db2.gz KUWZQWMFWHHJRY-QWRGUYRKSA-N 2 0 202.342 1.517 20 0 BDADRP CC[C@@H]([NH3+])CN[C@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246316100 987721337 /nfs/dbraw/zinc/72/13/37/987721337.db2.gz XXRMFVONXTWCSZ-NDBYEHHHSA-N 2 0 227.396 1.623 20 0 BDADRP C[C@H]1CC[C@H](N[C@@H](C[NH3+])c2ccccc2)C[NH2+]1 ZINC001246317933 987724347 /nfs/dbraw/zinc/72/43/47/987724347.db2.gz RYMTZLXVVARENW-UBHSHLNASA-N 2 0 233.359 1.417 20 0 BDADRP C[NH2+]Cc1cccc(CN[C@H]2C[NH2+][C@@H](C)C2)c1 ZINC001246324260 987730593 /nfs/dbraw/zinc/73/05/93/987730593.db2.gz KDUGDDJSFVPWMF-SMDDNHRTSA-N 2 0 233.359 1.246 20 0 BDADRP C[NH2+]Cc1cccc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC001246324365 987732547 /nfs/dbraw/zinc/73/25/47/987732547.db2.gz NLFOGDRNPKHDOZ-WFASDCNBSA-N 3 0 247.386 1.636 20 0 BDADRP CCCC[C@@H]1C[C@@H](NC[C@H](C)C[NH3+])CC[NH2+]1 ZINC001246327381 987732864 /nfs/dbraw/zinc/73/28/64/987732864.db2.gz NCVGNSLBSUWUBG-UPJWGTAASA-N 2 0 227.396 1.482 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H](CO)CC2CC2)CC1 ZINC001474488483 987737747 /nfs/dbraw/zinc/73/77/47/987737747.db2.gz LSMNKRYJJAUXMF-CQSZACIVSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@@H]1CC[C@@H](NC(C)(C)C(C)(C)[NH3+])C[NH2+]1 ZINC001246336685 987745406 /nfs/dbraw/zinc/74/54/06/987745406.db2.gz PYNZOFQQNRKRIO-NXEZZACHSA-N 2 0 213.369 1.232 20 0 BDADRP CC(=O)NCCCCC[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246335833 987746616 /nfs/dbraw/zinc/74/66/16/987746616.db2.gz MNDPDRYFLUHCCB-WCQYABFASA-N 2 0 241.379 1.023 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2CO)CC1 ZINC001474524473 987746673 /nfs/dbraw/zinc/74/66/73/987746673.db2.gz ZCKXYWZKSBOVMA-ZIAGYGMSSA-N 2 0 240.391 1.469 20 0 BDADRP FC1(F)CCN(CCN[C@H]2CCC[NH2+]C2)CC1 ZINC001246339308 987748793 /nfs/dbraw/zinc/74/87/93/987748793.db2.gz DTUISEOBOWBVHR-NSHDSACASA-N 2 0 247.333 1.059 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCN2CCC(F)(F)C2)CC[NH2+]1 ZINC001246339056 987750544 /nfs/dbraw/zinc/75/05/44/987750544.db2.gz BUXHZFMNNCCGQA-MNOVXSKESA-N 2 0 247.333 1.058 20 0 BDADRP C[C@H]1C[C@@H](n2cc3c(n2)CC[C@H]([NH3+])C3)CC[NH2+]1 ZINC001246352399 987758566 /nfs/dbraw/zinc/75/85/66/987758566.db2.gz QVWJELBWXSNAPG-DLOVCJGASA-N 2 0 234.347 1.012 20 0 BDADRP C[C@H]1CC[C@H](n2cc3c(n2)CC[C@H]([NH3+])C3)C[NH2+]1 ZINC001246352480 987760914 /nfs/dbraw/zinc/76/09/14/987760914.db2.gz RSZOZHPERUVJRH-DLOVCJGASA-N 2 0 234.347 1.012 20 0 BDADRP COc1ccc2c(c1)C[C@H](N[C@@H]1CCC[NH2+]C1)C2 ZINC001246356472 987764487 /nfs/dbraw/zinc/76/44/87/987764487.db2.gz IFMYEEJWAQSDKM-ZIAGYGMSSA-N 2 0 246.354 1.504 20 0 BDADRP COC(=O)CCCC[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC001246357420 987765667 /nfs/dbraw/zinc/76/56/67/987765667.db2.gz UJFDHWXZJUWMEZ-QWRGUYRKSA-N 2 0 228.336 1.060 20 0 BDADRP CC(C)(C)C[N@@H+]1CC[C@H](NC2CC[NH2+]CC2)C1 ZINC001246361626 987767770 /nfs/dbraw/zinc/76/77/70/987767770.db2.gz MBRYMECTZRBCBT-ZDUSSCGKSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]1C[C@@H](N[C@H]2CC[N@H+](CC3CC3)C2)CC[NH2+]1 ZINC001246359831 987769474 /nfs/dbraw/zinc/76/94/74/987769474.db2.gz CZFSFNZIVRVDTO-XBFCOCLRSA-N 2 0 237.391 1.201 20 0 BDADRP CC1(C)C[C@H](C[NH2+]C2CC[NH2+]CC2)CCO1 ZINC001246374423 987775887 /nfs/dbraw/zinc/77/58/87/987775887.db2.gz VDJQIOXMWBVEHG-LLVKDONJSA-N 2 0 226.364 1.533 20 0 BDADRP CC(C)(CC1CC1)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246394745 987784902 /nfs/dbraw/zinc/78/49/02/987784902.db2.gz UITVBANWRLEPLQ-LBPRGKRZSA-N 2 0 237.391 1.249 20 0 BDADRP CSC(C)(C)C[C@@H](C)[NH2+]CCNCC[NH3+] ZINC001246403840 987788724 /nfs/dbraw/zinc/78/87/24/987788724.db2.gz IFZIIQINPITQGN-SNVBAGLBSA-N 2 0 233.425 1.045 20 0 BDADRP CC(C)(Cc1ccncc1)[NH2+][C@H]1CCCNC1 ZINC001246407243 987789051 /nfs/dbraw/zinc/78/90/51/987789051.db2.gz PQTBUEZHZICJBO-ZDUSSCGKSA-N 2 0 233.359 1.744 20 0 BDADRP CCC1(N[C@@H]2CC[NH2+][C@H](C)C2)CC[NH2+]CC1 ZINC001246423136 987794832 /nfs/dbraw/zinc/79/48/32/987794832.db2.gz IIWAUISTZFFWLH-VXGBXAGGSA-N 2 0 225.380 1.249 20 0 BDADRP Cc1ccnc(C2(CN[C@H]3CCC[NH2+]C3)CC2)c1 ZINC001246440121 987799063 /nfs/dbraw/zinc/79/90/63/987799063.db2.gz RXWQDMOMROMWFO-ZDUSSCGKSA-N 2 0 245.370 1.763 20 0 BDADRP CCC1([NH2+][C@@H]2CC[NH2+][C@@H](C)C2)CCOCC1 ZINC001246441247 987800407 /nfs/dbraw/zinc/80/04/07/987800407.db2.gz LOQYJJRYHNJYOR-NWDGAFQWSA-N 2 0 226.364 1.676 20 0 BDADRP C[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CC12C[NH2+]C2 ZINC001246445105 987800448 /nfs/dbraw/zinc/80/04/48/987800448.db2.gz MKKWOSAMNLYNLJ-ZWNOBZJWSA-N 2 0 234.318 1.708 20 0 BDADRP C[C@@]1([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCOC1 ZINC001246444521 987800613 /nfs/dbraw/zinc/80/06/13/987800613.db2.gz BZBJMJCYCXEMCM-AYLPWXGPSA-N 2 0 210.321 1.038 20 0 BDADRP CC(C)OCC[C@@H](C)[NH2+][C@H]1CC12C[NH2+]C2 ZINC001246444692 987802262 /nfs/dbraw/zinc/80/22/62/987802262.db2.gz KUFWNIUDQNPVFQ-MNOVXSKESA-N 2 0 212.337 1.142 20 0 BDADRP C[C@@H]1C[C@@H](n2c(C[NH3+])nc3cnccc32)CC[NH2+]1 ZINC001246446212 987805851 /nfs/dbraw/zinc/80/58/51/987805851.db2.gz KSXFHHAMOFPFBH-ZJUUUORDSA-N 2 0 245.330 1.203 20 0 BDADRP CCCC[C@@H](CO)[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246458796 987809919 /nfs/dbraw/zinc/80/99/19/987809919.db2.gz VZBPKWIJDXLMLG-TUAOUCFPSA-N 2 0 214.353 1.268 20 0 BDADRP C[C@H]1C[C@@H](n2c(C[NH3+])nc3cnccc32)CC[NH2+]1 ZINC001246446209 987807006 /nfs/dbraw/zinc/80/70/06/987807006.db2.gz KSXFHHAMOFPFBH-UWVGGRQHSA-N 2 0 245.330 1.203 20 0 BDADRP CCCC[C@@H](CO)[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC001246458795 987810826 /nfs/dbraw/zinc/81/08/26/987810826.db2.gz VZBPKWIJDXLMLG-SRVKXCTJSA-N 2 0 214.353 1.268 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH+]3CCC2CC3)[C@H](C)O1 ZINC001474736043 987813090 /nfs/dbraw/zinc/81/30/90/987813090.db2.gz YQMKWEJSKAODTP-WVWOOGAGSA-N 2 0 238.375 1.484 20 0 BDADRP O[C@H]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246458666 987817292 /nfs/dbraw/zinc/81/72/92/987817292.db2.gz ASZQQHYPNCIOCP-SQQWKPQLSA-N 2 0 238.375 1.410 20 0 BDADRP C[NH+](C)[C@H]1CC[C@@H]([NH2+][C@@H]2CCCNC2)CC1 ZINC001246460215 987820531 /nfs/dbraw/zinc/82/05/31/987820531.db2.gz DKMGUXNYRYURIF-UPJWGTAASA-N 2 0 225.380 1.201 20 0 BDADRP CC[C@]1(NC2C[C@H](C)[NH2+][C@@H](C)C2)CC[NH2+]C1 ZINC001246464702 987824055 /nfs/dbraw/zinc/82/40/55/987824055.db2.gz SSMMDBZWTISUHN-GVXVVHGQSA-N 2 0 225.380 1.247 20 0 BDADRP CC(C)(C)[C@H]1C[C@@H](N[C@H]2C[C@@](C)([NH3+])C2)CC[NH2+]1 ZINC001246466623 987825833 /nfs/dbraw/zinc/82/58/33/987825833.db2.gz XDGMBPRMPOEMRN-CIQGVGRVSA-N 2 0 239.407 1.623 20 0 BDADRP CC(C)(C)[C@@H]1C[C@@H](N[C@H]2C[C@@](C)([NH3+])C2)CC[NH2+]1 ZINC001246466628 987826776 /nfs/dbraw/zinc/82/67/76/987826776.db2.gz XDGMBPRMPOEMRN-ZJQBRPOHSA-N 2 0 239.407 1.623 20 0 BDADRP CC[C@H]1C[C@H]([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)CCO1 ZINC001246474713 987831150 /nfs/dbraw/zinc/83/11/50/987831150.db2.gz ANIZLJPMDXPFJH-RNJOBUHISA-N 2 0 244.354 1.481 20 0 BDADRP [NH3+]C[C@@H]1Cc2ccccc2CN1[C@@H]1CCC[NH2+]C1 ZINC001246476423 987835574 /nfs/dbraw/zinc/83/55/74/987835574.db2.gz BOUAEVWDELXKEA-CABCVRRESA-N 2 0 245.370 1.124 20 0 BDADRP [NH3+][C@@H]1CCCC[C@@H]1N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246480263 987836699 /nfs/dbraw/zinc/83/66/99/987836699.db2.gz YEFQTCNDCNSVGX-HTOAHKCRSA-N 2 0 237.391 1.519 20 0 BDADRP C[C@@H](Cc1cccnc1)[NH2+][C@H]1CCCC[C@H]1[NH3+] ZINC001246480049 987838615 /nfs/dbraw/zinc/83/86/15/987838615.db2.gz XQTPVRIIXLHAQQ-YUTCNCBUSA-N 2 0 233.359 1.872 20 0 BDADRP [NH3+]Cc1ccc(CC[NH2+][C@@H]2CCCNC2)cc1 ZINC001246483798 987842077 /nfs/dbraw/zinc/84/20/77/987842077.db2.gz OLLDJWDFCDMAQD-CQSZACIVSA-N 2 0 233.359 1.029 20 0 BDADRP CC(C)[C@@H]1C[C@H](N[C@@H]2C[NH2+]C[C@H](C)C2)CC[NH2+]1 ZINC001246500667 987855256 /nfs/dbraw/zinc/85/52/56/987855256.db2.gz XXWHBXPGRZPACC-MQYQWHSLSA-N 2 0 239.407 1.351 20 0 BDADRP C[N@@H+]1CCC[C@H](N[C@H](C[NH3+])c2ccccc2)C1 ZINC001246507235 987861376 /nfs/dbraw/zinc/86/13/76/987861376.db2.gz LZAHDRAZHQJYMZ-UONOGXRCSA-N 2 0 233.359 1.370 20 0 BDADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H](C)CC1CC1 ZINC001246512989 987862065 /nfs/dbraw/zinc/86/20/65/987862065.db2.gz POHASXPYQTUZOE-JQWIXIFHSA-N 2 0 241.379 1.008 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](NC2CC[NH2+]CC2)[C@H](C)C1 ZINC001246516457 987864646 /nfs/dbraw/zinc/86/46/46/987864646.db2.gz UCQHFWWUUMKUKF-OCCSQVGLSA-N 2 0 239.407 1.447 20 0 BDADRP C[NH2+]C1CN([C@@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246520849 987870097 /nfs/dbraw/zinc/87/00/97/987870097.db2.gz ANCYILYXAXECNO-CYBMUJFWSA-N 2 0 237.391 1.345 20 0 BDADRP CC[C@@H]1C[C@@H](N(C)CC[NH3+])C[C@H](CC)[NH2+]1 ZINC001246523457 987872141 /nfs/dbraw/zinc/87/21/41/987872141.db2.gz GBECCVJEQHBZNW-ZSBIGDGJSA-N 2 0 213.369 1.186 20 0 BDADRP CC(C)[C@H]1C[C@@H](N2CCC[NH2+]CC2)CC[NH2+]1 ZINC001246521861 987873129 /nfs/dbraw/zinc/87/31/29/987873129.db2.gz BEAMJDWQHKCQGY-QWHCGFSZSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@H]1C[C@@H](n2ccnc2CCC[NH3+])CC[NH2+]1 ZINC001246528306 987883254 /nfs/dbraw/zinc/88/32/54/987883254.db2.gz VUJPJYMZGFDCPT-QWRGUYRKSA-N 2 0 222.336 1.087 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[C@](C)([NH3+])C1)C2 ZINC001246531408 987885614 /nfs/dbraw/zinc/88/56/14/987885614.db2.gz QSVNKGMKCFNPEU-CRWXNKLISA-N 2 0 237.391 1.425 20 0 BDADRP COC(=O)CCCC[C@H](C)[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001246530576 987885969 /nfs/dbraw/zinc/88/59/69/987885969.db2.gz NCURHWXPLZUDSM-AAEUAGOBSA-N 2 0 242.363 1.531 20 0 BDADRP C[C@@H](Cc1ccncc1)N1CC[C@@](C)([NH3+])C1 ZINC001246529518 987888076 /nfs/dbraw/zinc/88/80/76/987888076.db2.gz KVZREFNISSOBBG-WCQYABFASA-N 2 0 219.332 1.436 20 0 BDADRP CC[C@H]1CC(N2C[C@H]([NH3+])[C@@H](F)C2)C[C@H](CC)[NH2+]1 ZINC001246534761 987893294 /nfs/dbraw/zinc/89/32/94/987893294.db2.gz SYSWMJVBUCOKQH-UKJIMTQDSA-N 2 0 243.370 1.277 20 0 BDADRP C[C@H](Cc1cccnc1)[NH+]1CCC(C[NH3+])CC1 ZINC001246537760 987897139 /nfs/dbraw/zinc/89/71/39/987897139.db2.gz KXRJNDWFRPDXDM-GFCCVEGCSA-N 2 0 233.359 1.683 20 0 BDADRP C[C@@H](Cc1cccnc1)[NH+]1CCC(C[NH3+])CC1 ZINC001246537761 987898389 /nfs/dbraw/zinc/89/83/89/987898389.db2.gz KXRJNDWFRPDXDM-LBPRGKRZSA-N 2 0 233.359 1.683 20 0 BDADRP CCSC[C@@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC001246537232 987898581 /nfs/dbraw/zinc/89/85/81/987898581.db2.gz GMFIMLUINKPLNQ-SNVBAGLBSA-N 2 0 216.394 1.799 20 0 BDADRP [NH3+][C@H]1CCC[N@@H+](C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001246539734 987904119 /nfs/dbraw/zinc/90/41/19/987904119.db2.gz IPRXYKVSQMPMDU-WODVXLOZSA-N 2 0 222.332 1.286 20 0 BDADRP CCCC[C@H]1C[C@H](N2CC[C@@H]([NH3+])[C@H]2C)CC[NH2+]1 ZINC001246541398 987908341 /nfs/dbraw/zinc/90/83/41/987908341.db2.gz HJIRELMTUONQFK-XJFOESAGSA-N 2 0 239.407 1.719 20 0 BDADRP C[C@@H]1CCC[C@H]([N@@H+]2CCC[C@](O)(C[NH3+])CC2)C1 ZINC001246541976 987908814 /nfs/dbraw/zinc/90/88/14/987908814.db2.gz HZPQOBKWTRFACI-HZSPNIEDSA-N 2 0 240.391 1.741 20 0 BDADRP C[C@H]1C[N@@H+](C2CCC3(COC3)CC2)C[C@H]1C[NH3+] ZINC001246542449 987911118 /nfs/dbraw/zinc/91/11/18/987911118.db2.gz PIYUXYZDNJSKSV-NWDGAFQWSA-N 2 0 238.375 1.472 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N1CCC[C@H]([NH3+])CC1 ZINC001246544907 987917344 /nfs/dbraw/zinc/91/73/44/987917344.db2.gz HXQMPZPGPJGWNT-KBPBESRZSA-N 2 0 241.423 1.920 20 0 BDADRP CSCC[C@H](C)[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246546103 987925908 /nfs/dbraw/zinc/92/59/08/987925908.db2.gz YFCJPWYYFZRUOJ-RYUDHWBXSA-N 2 0 246.420 1.304 20 0 BDADRP CC(C)CC[C@H](C)[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246546230 987931005 /nfs/dbraw/zinc/93/10/05/987931005.db2.gz ZBHAZFQZGSSIKL-UONOGXRCSA-N 2 0 242.407 1.987 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246550393 987946508 /nfs/dbraw/zinc/94/65/08/987946508.db2.gz PFKDTHRUEPOUPK-FRRDWIJNSA-N 2 0 237.391 1.330 20 0 BDADRP [NH3+]CC1CC[NH+]([C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001246552016 987955215 /nfs/dbraw/zinc/95/52/15/987955215.db2.gz UPOPGMCZYHYLRR-ITGUQSILSA-N 2 0 236.359 1.415 20 0 BDADRP C[C@@]1([NH3+])CCC[N@@H+]([C@@H]2CCCOC2)CC1 ZINC001246553850 987958726 /nfs/dbraw/zinc/95/87/26/987958726.db2.gz SRPOZHDXVBAJTG-VXGBXAGGSA-N 2 0 212.337 1.369 20 0 BDADRP Cc1cc(C[NH2+]CCC2CC[NH+](C)CC2)[nH]n1 ZINC001321652820 987959907 /nfs/dbraw/zinc/95/99/07/987959907.db2.gz FLYJGGRWPMUGOF-UHFFFAOYSA-N 2 0 236.363 1.540 20 0 BDADRP C[NH2+][C@@H](C)CC[NH2+]Cc1ccccc1N(C)C ZINC001117953118 987966458 /nfs/dbraw/zinc/96/64/58/987966458.db2.gz AFDYUGJPENBINL-LBPRGKRZSA-N 2 0 235.375 1.840 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@H](F)CC2)CC[NH2+]1 ZINC001246558757 987982870 /nfs/dbraw/zinc/98/28/70/987982870.db2.gz NOLDZASYWKXFNV-GRYCIOLGSA-N 2 0 214.328 1.951 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+]C1CCC(COC)CC1 ZINC001118058488 987997218 /nfs/dbraw/zinc/99/72/18/987997218.db2.gz KQPIVJGVTGYWNF-PNESKVBLSA-N 2 0 228.380 1.779 20 0 BDADRP C[C@@H]1CCCC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246560694 987997418 /nfs/dbraw/zinc/99/74/18/987997418.db2.gz RZRRTFRAWILJKS-CHWSQXEVSA-N 2 0 237.391 1.202 20 0 BDADRP Cc1csc(CCC[NH2+][C@@H]2CCC[C@H]2[NH3+])n1 ZINC001118058570 988001793 /nfs/dbraw/zinc/00/17/93/988001793.db2.gz LBHOLPKSIKQIRM-GHMZBOCLSA-N 2 0 239.388 1.854 20 0 BDADRP C[C@@H]1CC[N@@H+](C2CCN(C)CC2)CC[C@H]1C[NH3+] ZINC001246562714 988003277 /nfs/dbraw/zinc/00/32/77/988003277.db2.gz WESDKQWPPKKEHV-OLZOCXBDSA-N 2 0 239.407 1.387 20 0 BDADRP C[C@@H]1CCN(C2CCC3(C[NH2+]C3)CC2)C[C@@H]1[NH3+] ZINC001246562947 988004569 /nfs/dbraw/zinc/00/45/69/988004569.db2.gz ALOMHSCVKRSSFW-YPMHNXCESA-N 2 0 237.391 1.188 20 0 BDADRP CC[C@@H]1C[C@@H](N2CC[C@@H](C)[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246563491 988008495 /nfs/dbraw/zinc/00/84/95/988008495.db2.gz RHPJCLIALZZSHY-FVCCEPFGSA-N 2 0 225.380 1.186 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)CCO1 ZINC001246569079 988036844 /nfs/dbraw/zinc/03/68/44/988036844.db2.gz PTRAUMDBKGXJLQ-REWJHTLYSA-N 2 0 240.391 1.861 20 0 BDADRP COC[C@H](C)[N@@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001246568511 988039290 /nfs/dbraw/zinc/03/92/90/988039290.db2.gz OPSAFIYFDKDCOS-WOPDTQHZSA-N 2 0 214.353 1.328 20 0 BDADRP C[NH2+]C1CCC(N2C[C@@H]([NH3+])CC(F)(F)C2)CC1 ZINC001246573832 988066801 /nfs/dbraw/zinc/06/68/01/988066801.db2.gz NAZDEMASRNKTEX-WHXUTIOJSA-N 2 0 247.333 1.185 20 0 BDADRP NC[C@@]1(F)CCCC[N@@H+](C2CCOCC2)C1 ZINC001246575830 988086287 /nfs/dbraw/zinc/08/62/87/988086287.db2.gz JCQFKIUJZDIQHG-LBPRGKRZSA-N 2 0 230.327 1.318 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC001118193772 988088144 /nfs/dbraw/zinc/08/81/44/988088144.db2.gz FFJNINSWUIDTFO-WDEREUQCSA-N 2 0 241.379 1.138 20 0 BDADRP C[NH+](C)C1CCC(N2C[C@H](F)C[C@H]([NH3+])C2)CC1 ZINC001246579789 988100751 /nfs/dbraw/zinc/10/07/51/988100751.db2.gz GXOWLKADULLBKX-IALDZJHCSA-N 2 0 243.370 1.230 20 0 BDADRP CC[C@@H]1C[C@H](N2CC[C@H]([NH3+])[C@@H](F)CC2)CC[NH2+]1 ZINC001246578997 988103717 /nfs/dbraw/zinc/10/37/17/988103717.db2.gz CQFWDPZQIUAPOK-NDBYEHHHSA-N 2 0 243.370 1.278 20 0 BDADRP CC[NH+]1CCC(N2CC[C@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001246578737 988105195 /nfs/dbraw/zinc/10/51/95/988105195.db2.gz BUYVQBCQBNHQGS-STQMWFEESA-N 2 0 243.370 1.232 20 0 BDADRP C[C@@]1(C[NH3+])CCCC[N@@H+]([C@H]2CCCOC2)C1 ZINC001246583762 988122075 /nfs/dbraw/zinc/12/20/75/988122075.db2.gz KIGFZWJEYJOPOZ-STQMWFEESA-N 2 0 226.364 1.616 20 0 BDADRP CCCC[C@H](CC)[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246584028 988122951 /nfs/dbraw/zinc/12/29/51/988122951.db2.gz KYKMXSYOMKJKMV-SDDRHHMPSA-N 2 0 214.353 1.207 20 0 BDADRP C[N@@H+]1CCC[C@@H](N2CCCC[C@@](C)(C[NH3+])C2)C1 ZINC001246585651 988132072 /nfs/dbraw/zinc/13/20/72/988132072.db2.gz PNNPOVRMZBZDOJ-KGLIPLIRSA-N 2 0 239.407 1.532 20 0 BDADRP C[NH+]1CCC(N2CCCC[C@](F)(C[NH3+])C2)CC1 ZINC001246584670 988132122 /nfs/dbraw/zinc/13/21/22/988132122.db2.gz YFXHRZAMDNHFGK-ZDUSSCGKSA-N 2 0 243.370 1.234 20 0 BDADRP CC[C@H]1C[C@@H](N2[C@H](C)C[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC001246586833 988148283 /nfs/dbraw/zinc/14/82/83/988148283.db2.gz PARMDZAPTKWEIU-RNJOBUHISA-N 2 0 225.380 1.199 20 0 BDADRP C[C@H]1C[C@H]([N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)C[C@@H](C)C1 ZINC001246589101 988152634 /nfs/dbraw/zinc/15/26/34/988152634.db2.gz YZYVOICBZIUTPA-OBPIAQAESA-N 2 0 226.364 1.063 20 0 BDADRP C[C@@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@]1(C)O ZINC001246590526 988167598 /nfs/dbraw/zinc/16/75/98/988167598.db2.gz KDZALIZDBDKMON-SYCZCVCYSA-N 2 0 238.375 1.362 20 0 BDADRP C[C@@H]1C[C@H](N2C[C@@H](C[NH3+])CC[C@@H]2C)CC[NH2+]1 ZINC001246590262 988167787 /nfs/dbraw/zinc/16/77/87/988167787.db2.gz RZEMEXWOQOHHFO-YVECIDJPSA-N 2 0 225.380 1.186 20 0 BDADRP C[C@@H]1CCC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246589852 988170157 /nfs/dbraw/zinc/17/01/57/988170157.db2.gz GZOAJSFRWIWDHP-OLZOCXBDSA-N 2 0 237.391 1.202 20 0 BDADRP C[NH2+]CC1C[NH+]([C@@H]2CC[C@@H](C)[C@@H](C)C2)C1 ZINC001246593234 988172781 /nfs/dbraw/zinc/17/27/81/988172781.db2.gz AXJQVGUPZRTYHT-NTZNESFSSA-N 2 0 210.365 1.962 20 0 BDADRP CC[C@@H]1C[C@H](N2C[C@@H](C[NH3+])CC[C@@H]2C)CC[NH2+]1 ZINC001246595004 988192046 /nfs/dbraw/zinc/19/20/46/988192046.db2.gz XEUFBXOMNJSIGQ-REWJHTLYSA-N 2 0 239.407 1.576 20 0 BDADRP CCOC1CCC([NH+]2CC(C)(C[NH3+])C2)CC1 ZINC001246597810 988197081 /nfs/dbraw/zinc/19/70/81/988197081.db2.gz NETIMEHAUGMGMD-UHFFFAOYSA-N 2 0 226.364 1.615 20 0 BDADRP CC[C@@H]1C[C@H](N2CCCC[C@H](C[NH3+])C2)CC[NH2+]1 ZINC001246597652 988198566 /nfs/dbraw/zinc/19/85/66/988198566.db2.gz YAHXJDSSEKJRNS-MGPQQGTHSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@@H]1C[C@H]([N@H+](C)[C@H]2CC[C@H](O)CC2)CC[NH2+]1 ZINC001246599969 988208176 /nfs/dbraw/zinc/20/81/76/988208176.db2.gz QLEVCFUPSOLQEO-FDYHWXHSSA-N 2 0 226.364 1.362 20 0 BDADRP C1C[N@H+]([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)[C@@]2(C1)CCC[NH2+]C2 ZINC001246608808 988233630 /nfs/dbraw/zinc/23/36/30/988233630.db2.gz JYHHTOJUEUCJMF-LXTVHRRPSA-N 3 0 249.402 1.202 20 0 BDADRP C[NH2+]CC[C@@H](C)N1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001246609750 988236980 /nfs/dbraw/zinc/23/69/80/988236980.db2.gz JOQYHKGMFMTPEN-ZIAGYGMSSA-N 2 0 239.407 1.450 20 0 BDADRP C1[NH2+]CC12CC[C@H]([N@@H+]1CCC[C@]13CCC[NH2+]C3)C2 ZINC001246611069 988242487 /nfs/dbraw/zinc/24/24/87/988242487.db2.gz RHYBSJZVHBQDNX-ZFWWWQNUSA-N 3 0 249.402 1.347 20 0 BDADRP C1C[NH2+][C@]2(C1)CCN(C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246616121 988253901 /nfs/dbraw/zinc/25/39/01/988253901.db2.gz YFAUOCGJPDMUIM-QNMSZWNNSA-N 2 0 235.375 1.097 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CC[C@@]3(C2)CCCCO3)CC[NH2+]1 ZINC001246616250 988256654 /nfs/dbraw/zinc/25/66/54/988256654.db2.gz AKEKWACCMHHPTQ-MGPQQGTHSA-N 2 0 238.375 1.772 20 0 BDADRP C[NH2+]CC[C@@H](C)N1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246617178 988256927 /nfs/dbraw/zinc/25/69/27/988256927.db2.gz YHJAUKPUZRGLKN-ZIAGYGMSSA-N 2 0 239.407 1.593 20 0 BDADRP C[C@@H]1C[C@H](N2CC[C@]3(C2)CCCC[NH2+]3)CC[NH2+]1 ZINC001246622160 988264155 /nfs/dbraw/zinc/26/41/55/988264155.db2.gz NFCDYEOXYSLJEE-MCIONIFRSA-N 2 0 237.391 1.345 20 0 BDADRP CC[C@H](CC(C)C)[N@@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246621783 988270863 /nfs/dbraw/zinc/27/08/63/988270863.db2.gz GJENRDXLLGQODR-MGPQQGTHSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@@H]1CC[C@H](N2CC[C@]3(C2)CCCC[NH2+]3)C[NH2+]1 ZINC001246627037 988289714 /nfs/dbraw/zinc/28/97/14/988289714.db2.gz WEBIUDRRHWXHAX-RDBSUJKOSA-N 2 0 237.391 1.345 20 0 BDADRP C1CC12C[NH2+]CCN2C1CCC2(CC[NH2+]C2)CC1 ZINC001246627446 988293594 /nfs/dbraw/zinc/29/35/94/988293594.db2.gz WIZZCCXRZBQPNG-UHFFFAOYSA-N 2 0 249.402 1.347 20 0 BDADRP [NH3+]CC1(F)CC[NH+]([C@H]2CCCOCC2)CC1 ZINC001246626845 988296286 /nfs/dbraw/zinc/29/62/86/988296286.db2.gz LBCOBAMFIOEKOG-NSHDSACASA-N 2 0 230.327 1.318 20 0 BDADRP C[C@H]1CC[C@@H]([N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)C[NH2+]1 ZINC001246628053 988297378 /nfs/dbraw/zinc/29/73/78/988297378.db2.gz LZAUMBYYKQTIII-IGQOVBAYSA-N 3 0 237.391 1.058 20 0 BDADRP C[C@@H]1C[C@H](N2CCC[C@@]3(CCC[NH2+]3)C2)CC[NH2+]1 ZINC001246627884 988299768 /nfs/dbraw/zinc/29/97/68/988299768.db2.gz ZXOLNVVFTVOBNQ-MCIONIFRSA-N 2 0 237.391 1.345 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246634562 988317038 /nfs/dbraw/zinc/31/70/38/988317038.db2.gz OMOCPIJYFNHPQB-MELADBBJSA-N 2 0 239.407 1.543 20 0 BDADRP CC(C)OCC[C@@H](C)N1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246636376 988328018 /nfs/dbraw/zinc/32/80/18/988328018.db2.gz GMENOACRFSHZPF-JHJVBQTASA-N 2 0 226.364 1.626 20 0 BDADRP C1C[C@@H]2[C@H](CC[N@@H+]2C2CCSCC2)[NH2+]1 ZINC001246637480 988328114 /nfs/dbraw/zinc/32/81/14/988328114.db2.gz ZBDFCWLUHWYWCL-WDEREUQCSA-N 2 0 212.362 1.318 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[C@@H]3[NH2+]CC[C@H]31)C2 ZINC001246641207 988350089 /nfs/dbraw/zinc/35/00/89/988350089.db2.gz HXPVRXZXRIXPGR-AIEDFZFUSA-N 3 0 249.402 1.438 20 0 BDADRP CC[C@H]1C[C@@H](N2CCCCC23C[NH2+]C3)CC[NH2+]1 ZINC001246641013 988351622 /nfs/dbraw/zinc/35/16/22/988351622.db2.gz GCZARRUZLOZNGT-STQMWFEESA-N 2 0 237.391 1.345 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3CCCO[C@@H]3C2)CC[NH2+]1 ZINC001246646760 988362938 /nfs/dbraw/zinc/36/29/38/988362938.db2.gz HWWDQJPFDIZDQZ-AAVRWANBSA-N 2 0 238.375 1.628 20 0 BDADRP C1C[C@@]2(C[NH2+]1)CCC[C@@H]([N@@H+]1CC[C@H]3C[NH2+]C[C@H]31)C2 ZINC001246647390 988364530 /nfs/dbraw/zinc/36/45/30/988364530.db2.gz SQIVFLPLKSHTEL-YJNKXOJESA-N 3 0 249.402 1.202 20 0 BDADRP C1C[C@H](N2CCC([C@H]3CCCC[NH2+]3)CC2)C[NH2+]1 ZINC001246655047 988381106 /nfs/dbraw/zinc/38/11/06/988381106.db2.gz JCLAWVJTUGHLGW-UONOGXRCSA-N 2 0 237.391 1.202 20 0 BDADRP Cc1nc2c(n1[C@H]1CC[NH2+][C@@H](C)C1)CC[NH2+]CC2 ZINC001246668410 988412429 /nfs/dbraw/zinc/41/24/29/988412429.db2.gz YGDPAVOOMPTAOH-JQWIXIFHSA-N 2 0 248.374 1.193 20 0 BDADRP CCCC[C@@H]1C[C@H](N2CC[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC001246674025 988418701 /nfs/dbraw/zinc/41/87/01/988418701.db2.gz RYBUFEFTFHKTQV-BFHYXJOUSA-N 2 0 239.407 1.591 20 0 BDADRP CC[C@@H]1C[C@@H](N2C[C@@H]3C[C@H]2C[NH2+]3)C[C@H](CC)[NH2+]1 ZINC001246676669 988420353 /nfs/dbraw/zinc/42/03/53/988420353.db2.gz KBYOQRBELCMKCO-NDKCEZKHSA-N 2 0 237.391 1.342 20 0 BDADRP CC(C)(C)[C@H]1C[C@H](N2C[C@@H]3C[C@H]2C[NH2+]3)CC[NH2+]1 ZINC001246675243 988421408 /nfs/dbraw/zinc/42/14/08/988421408.db2.gz DZBYWKQKDBOWMD-QNWHQSFQSA-N 2 0 237.391 1.199 20 0 BDADRP C[C@@H]1C[C@H]([N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)CC[NH2+]1 ZINC001246679281 988424472 /nfs/dbraw/zinc/42/44/72/988424472.db2.gz TUGMSVWKWBOUSN-WISYIIOYSA-N 2 0 222.332 1.323 20 0 BDADRP C[C@@H]1CC[C@H](N(C)CC2CC[NH2+]CC2)C[NH2+]1 ZINC001246679783 988430096 /nfs/dbraw/zinc/43/00/96/988430096.db2.gz XTCWBWNPDYXGQW-YPMHNXCESA-N 2 0 225.380 1.058 20 0 BDADRP CC(C)[C@@H]1CN([C@@H]2CC[C@H](C)[NH2+]C2)CC[NH2+]1 ZINC001246686409 988433287 /nfs/dbraw/zinc/43/32/87/988433287.db2.gz MRNPJPALRPHUCB-XQQFMLRXSA-N 2 0 225.380 1.057 20 0 BDADRP CC(C)[C@@H]1C[NH2+]CCN1[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246689923 988438311 /nfs/dbraw/zinc/43/83/11/988438311.db2.gz BLCCAEMVWXQYHD-CRWXNKLISA-N 2 0 237.391 1.199 20 0 BDADRP CC(C)[C@@H]1CN([C@H]2CC[NH2+][C@H](C)C2)CC[NH2+]1 ZINC001246688664 988439268 /nfs/dbraw/zinc/43/92/68/988439268.db2.gz WFYNLXFNFHXOJJ-AGIUHOORSA-N 2 0 225.380 1.057 20 0 BDADRP C[C@@H]1CC(N2C[C@H](C)[NH2+]C[C@H]2C)C[C@@H](C)[NH2+]1 ZINC001246694174 988442554 /nfs/dbraw/zinc/44/25/54/988442554.db2.gz VRSICDZLVDGJLJ-WISYIIOYSA-N 2 0 225.380 1.198 20 0 BDADRP CC[C@H]1C[C@@H](N2CC[NH2+]C[C@H]2C(C)C)CC[NH2+]1 ZINC001246695016 988444831 /nfs/dbraw/zinc/44/48/31/988444831.db2.gz KHBIBRUUQHAFCB-IHRRRGAJSA-N 2 0 239.407 1.447 20 0 BDADRP C[C@@H]1CC[C@@H](N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)C[NH2+]1 ZINC001246700472 988448997 /nfs/dbraw/zinc/44/89/97/988448997.db2.gz JBRFXEKOPLWZMZ-YIYPIFLZSA-N 2 0 237.391 1.010 20 0 BDADRP C[NH2+]Cc1ccc(N[C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC001246775559 988456737 /nfs/dbraw/zinc/45/67/37/988456737.db2.gz GMQSJSSEGOIZHK-SMDDNHRTSA-N 2 0 233.359 1.958 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CC[NH2+]1 ZINC001246768667 988456870 /nfs/dbraw/zinc/45/68/70/988456870.db2.gz GASNYFMBGSQHJV-CSYMLDBXSA-N 2 0 212.312 1.559 20 0 BDADRP C[NH2+]CC1CCN([C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246781049 988460351 /nfs/dbraw/zinc/46/03/51/988460351.db2.gz MVRXRXMXPVZYHK-YPMHNXCESA-N 2 0 225.380 1.058 20 0 BDADRP Fc1ccccc1[C@@H]1C[NH2+]CCN1[C@@H]1CC[NH2+]C1 ZINC001246793895 988474928 /nfs/dbraw/zinc/47/49/28/988474928.db2.gz CJNUJKQVSKRXGY-RISCZKNCSA-N 2 0 249.333 1.134 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N1CC[NH2+]C(C)(C)C1 ZINC001246816268 988501348 /nfs/dbraw/zinc/50/13/48/988501348.db2.gz IDZUDZMVZFTGDO-ZDUSSCGKSA-N 2 0 241.423 1.791 20 0 BDADRP CCCCCC[C@H](C)N(CC[NH3+])CC[NH3+] ZINC001246828289 988519190 /nfs/dbraw/zinc/51/91/90/988519190.db2.gz AUQLPMUOOSXPBY-LBPRGKRZSA-N 2 0 215.385 1.565 20 0 BDADRP CC(C)C[C@H]1CN([C@@H]2CC[NH2+][C@H](C)C2)CC[NH2+]1 ZINC001246822779 988506902 /nfs/dbraw/zinc/50/69/02/988506902.db2.gz NFSFDGIAHIKLPB-HZSPNIEDSA-N 2 0 239.407 1.447 20 0 BDADRP c1ccc([C@H]2CN(C3CC[NH2+]CC3)CC[NH2+]2)cc1 ZINC001246825945 988513871 /nfs/dbraw/zinc/51/38/71/988513871.db2.gz JSPBKIYGFKTRMA-OAHLLOKOSA-N 2 0 245.370 1.385 20 0 BDADRP CC(C)C[C@H]1CN([C@@H]2C[NH2+][C@H](C)C2)CC[NH2+]1 ZINC001246826236 988516408 /nfs/dbraw/zinc/51/64/08/988516408.db2.gz YDSPQUXNVOBAFD-AGIUHOORSA-N 2 0 225.380 1.057 20 0 BDADRP C[C@H]1C[C@H](N(CC[NH3+])CC[NH3+])CC(C)(C)C1 ZINC001246830097 988521534 /nfs/dbraw/zinc/52/15/34/988521534.db2.gz JCFZRHSPADIGCI-RYUDHWBXSA-N 2 0 227.396 1.421 20 0 BDADRP CN(C1C[NH2+]C1)[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246828620 988523290 /nfs/dbraw/zinc/52/32/90/988523290.db2.gz DFMCHHNQCQLYKL-DZGCQCFKSA-N 2 0 245.370 1.383 20 0 BDADRP CC[C@H]1C[C@@H](N2CCCC[C@H]2C[NH3+])CC[NH2+]1 ZINC001246830229 988523426 /nfs/dbraw/zinc/52/34/26/988523426.db2.gz QNAJKCNNLARMHO-AVGNSLFASA-N 2 0 225.380 1.330 20 0 BDADRP C1CC12CCCC[N@@H+]2[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246845224 988556593 /nfs/dbraw/zinc/55/65/93/988556593.db2.gz LQSRAUUZCVTGTP-LBPRGKRZSA-N 2 0 235.375 1.099 20 0 BDADRP [NH3+][C@]12CC[C@H]1CN(C1CC[NH+](CC3CC3)CC1)C2 ZINC001246854535 988574847 /nfs/dbraw/zinc/57/48/47/988574847.db2.gz PZPCPYRAANKMTP-ZFWWWQNUSA-N 3 0 249.402 1.284 20 0 BDADRP C[C@H]1CC[C@H](N2CC[C@H]3COC[C@@H]3C2)C[NH2+]1 ZINC001246863540 988606526 /nfs/dbraw/zinc/60/65/26/988606526.db2.gz YKOAAXXRYVQURV-CYDGBPFRSA-N 2 0 224.348 1.095 20 0 BDADRP CCCC(CCC)[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246863932 988609383 /nfs/dbraw/zinc/60/93/83/988609383.db2.gz ZNOKFZOSUXCNCZ-ONXXMXGDSA-N 2 0 240.391 1.861 20 0 BDADRP CC1(C)C[C@H]([N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)CCO1 ZINC001246865178 988612971 /nfs/dbraw/zinc/61/29/71/988612971.db2.gz YIEQNGPUFPSKIR-LOWVWBTDSA-N 2 0 224.348 1.367 20 0 BDADRP CC[C@H]1C[C@@H](N2C[C@H]3CC[C@@H](C2)[NH2+]C3)CC[NH2+]1 ZINC001246867510 988617052 /nfs/dbraw/zinc/61/70/52/988617052.db2.gz OKWXPKLHYJUASQ-XUXIUFHCSA-N 2 0 237.391 1.201 20 0 BDADRP c1ncn([C@H]2CCC[NH2+]C2)c1C1CC[NH2+]CC1 ZINC001246868401 988628856 /nfs/dbraw/zinc/62/88/56/988628856.db2.gz SMGVLHQNBSZKTH-LBPRGKRZSA-N 2 0 234.347 1.275 20 0 BDADRP C[NH+]1CCC2(C[NH+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)CC1 ZINC001246875492 988644538 /nfs/dbraw/zinc/64/45/38/988644538.db2.gz WVBXFPFRQLCTND-PBWFPOADSA-N 3 0 249.402 1.297 20 0 BDADRP COC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246875350 988646789 /nfs/dbraw/zinc/64/67/89/988646789.db2.gz KLUZLRDMMBAJES-RQICVUQASA-N 2 0 238.375 1.769 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](C)N1[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246884742 988653041 /nfs/dbraw/zinc/65/30/41/988653041.db2.gz VEPVYVRAZQBNFE-IJLUTSLNSA-N 2 0 225.380 1.199 20 0 BDADRP CCCC[C@H]1C[C@@H](N(CC)CC[NH3+])CC[NH2+]1 ZINC001246889138 988653635 /nfs/dbraw/zinc/65/36/35/988653635.db2.gz CVIBDOBJDKPBJI-STQMWFEESA-N 2 0 227.396 1.578 20 0 BDADRP CCCC[C@@H]1C[C@H](N(CC)CC[NH2+]C)CC[NH2+]1 ZINC001246891706 988659554 /nfs/dbraw/zinc/65/95/54/988659554.db2.gz OGGKFCCGQZHFQF-ZIAGYGMSSA-N 2 0 241.423 1.839 20 0 BDADRP CN(C[C@@H]1CCC[NH2+]1)[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246890157 988661254 /nfs/dbraw/zinc/66/12/54/988661254.db2.gz UNMZRIPGXFEITL-RYUDHWBXSA-N 2 0 225.380 1.201 20 0 BDADRP CCN(CC[NH3+])[C@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246893037 988666136 /nfs/dbraw/zinc/66/61/36/988666136.db2.gz QTINWOJKFWNBKA-NWDGAFQWSA-N 2 0 213.369 1.044 20 0 BDADRP CC[C@@H]1CC(N2CC([NH3+])(CC)C2)C[C@@H](CC)[NH2+]1 ZINC001246893243 988666553 /nfs/dbraw/zinc/66/65/53/988666553.db2.gz IZXPVQQIBOLIIA-VXGBXAGGSA-N 2 0 239.407 1.719 20 0 BDADRP C1[C@@H]2CCCC[C@H]2C[NH+]1[C@H]1CCC[NH2+]C1 ZINC001246898706 988671604 /nfs/dbraw/zinc/67/16/04/988671604.db2.gz ZSGQHCGQDSDDEH-AVGNSLFASA-N 2 0 208.349 1.860 20 0 BDADRP CN([C@@H]1CCCC[C@H]1[NH3+])[C@@H]1CCCC[NH2+]C1 ZINC001246907167 988674414 /nfs/dbraw/zinc/67/44/14/988674414.db2.gz DMHFNBVLZQBBSJ-JHJVBQTASA-N 2 0 225.380 1.330 20 0 BDADRP C[NH2+][C@@H]1CCN1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246901408 988674672 /nfs/dbraw/zinc/67/46/72/988674672.db2.gz XCDZINGIEHKADL-ZDUSSCGKSA-N 2 0 237.391 1.550 20 0 BDADRP CCCC[C@H]1CN([C@H]2CC[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC001246902043 988676520 /nfs/dbraw/zinc/67/65/20/988676520.db2.gz GLIOGILTEIVSMV-IHRRRGAJSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@H]1CC[C@@H](N(C)C2(C)CC[NH2+]CC2)C[NH2+]1 ZINC001246911052 988697181 /nfs/dbraw/zinc/69/71/81/988697181.db2.gz PBTCLOBKNALYEC-NWDGAFQWSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H]1C[C@@H]([N@H+](C)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246914132 988702333 /nfs/dbraw/zinc/70/23/33/988702333.db2.gz ZGIIDMFQWOQJOS-LPWJVIDDSA-N 3 0 225.380 1.329 20 0 BDADRP C[C@@H]1C[C@H](N(C)[C@@H]2CCCC[C@H]2[NH3+])CC[NH2+]1 ZINC001246914626 988707427 /nfs/dbraw/zinc/70/74/27/988707427.db2.gz UFKHWFATUWQIEW-FDYHWXHSSA-N 2 0 225.380 1.329 20 0 BDADRP C1CC1N([C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]CC1 ZINC001246917014 988718461 /nfs/dbraw/zinc/71/84/61/988718461.db2.gz NDGABZOSFREKDY-TZMCWYRMSA-N 2 0 237.391 1.345 20 0 BDADRP C[NH2+]CC[C@H](C)N(C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001246918519 988720785 /nfs/dbraw/zinc/72/07/85/988720785.db2.gz KZHYDJPGWGQTET-QJPTWQEYSA-N 2 0 213.369 1.186 20 0 BDADRP CC[C@@H]1C[C@@H](N2C[C@@H]3C[NH2+]C[C@@H]32)C[C@H](CC)[NH2+]1 ZINC001246921958 988735346 /nfs/dbraw/zinc/73/53/46/988735346.db2.gz TWRBDKIIVXEAEG-HPCHECBXSA-N 2 0 237.391 1.199 20 0 BDADRP C[C@@H]1CC(N(C)[C@@H]2CCCC[C@H]2[NH3+])C[C@@H](C)[NH2+]1 ZINC001246922620 988735621 /nfs/dbraw/zinc/73/56/21/988735621.db2.gz VKGXZHAFRWVUTK-HBJVGIJOSA-N 2 0 239.407 1.717 20 0 BDADRP C[C@H]1C[C@H]([N@@H+]2C[C@H]3C[NH2+]C[C@@H]32)C[C@@H](C)C1 ZINC001246923699 988740133 /nfs/dbraw/zinc/74/01/33/988740133.db2.gz YWJLTHPTNRDZIU-FHUSYTEZSA-N 2 0 208.349 1.715 20 0 BDADRP CCCC[C@@H]1C[C@H](N2C[C@H]3C[NH2+][C@@H]3C2)CC[NH2+]1 ZINC001246923859 988741240 /nfs/dbraw/zinc/74/12/40/988741240.db2.gz ZVFCFIJHPATOBI-AAVRWANBSA-N 2 0 237.391 1.201 20 0 BDADRP CO[C@@H](C)C1C[NH+]([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246924285 988742978 /nfs/dbraw/zinc/74/29/78/988742978.db2.gz QZQXNHKXJQVIBX-SCVCMEIPSA-N 2 0 212.337 1.094 20 0 BDADRP CN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001246923392 988743096 /nfs/dbraw/zinc/74/30/96/988743096.db2.gz WSLAZQVEAARYHE-PJIALRRASA-N 2 0 237.391 1.471 20 0 BDADRP CCCN([C@H](C)CC[NH2+]C)[C@@H]1CC[NH2+]C1 ZINC001246929447 988752603 /nfs/dbraw/zinc/75/26/03/988752603.db2.gz OTVNQJXXJFXOER-VXGBXAGGSA-N 2 0 213.369 1.058 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2CCC[C@H]([NH3+])[C@@H]2C)CC[NH2+]1 ZINC001246937911 988769237 /nfs/dbraw/zinc/76/92/37/988769237.db2.gz KDWXUXOAINHPQS-CRWXNKLISA-N 2 0 239.407 1.575 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCc3c(N)cccc3C2)CC[NH2+]1 ZINC001246936674 988770051 /nfs/dbraw/zinc/77/00/51/988770051.db2.gz XJRZNCUQVJORQF-YPMHNXCESA-N 2 0 245.370 1.767 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCCN1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246938921 988770683 /nfs/dbraw/zinc/77/06/83/988770683.db2.gz PIHDQWYLFSTYSU-OCIKQUFWSA-N 2 0 223.364 1.081 20 0 BDADRP C[C@@H]1CN([C@@H]2CC[NH2+]C(C)(C)C2)C[C@@H](C)[NH2+]1 ZINC001246962276 988793283 /nfs/dbraw/zinc/79/32/83/988793283.db2.gz DIFOHKAVMZVIKQ-IJLUTSLNSA-N 2 0 225.380 1.199 20 0 BDADRP CCCN(C[C@@H]1CC[NH2+]C1)[C@@H]1CCCC[NH2+]C1 ZINC001246973895 988803005 /nfs/dbraw/zinc/80/30/05/988803005.db2.gz JAUDEXSPOVAICZ-ZIAGYGMSSA-N 2 0 239.407 1.450 20 0 BDADRP CCCC[C@@H]1C[C@@H](N(C)C[C@H](C)[NH3+])CC[NH2+]1 ZINC001246980371 988808332 /nfs/dbraw/zinc/80/83/32/988808332.db2.gz HNZQJEAQWVSBAU-XQQFMLRXSA-N 2 0 227.396 1.576 20 0 BDADRP CC(C)[N@@H+]1CCN([C@H]2CC[NH2+][C@@H](C)C2)C[C@@H]1C ZINC001246977584 988810386 /nfs/dbraw/zinc/81/03/86/988810386.db2.gz DYMPVEDJQFRBAZ-IHRRRGAJSA-N 2 0 239.407 1.541 20 0 BDADRP CC(C)[N@@H+]1CCN([C@@H]2CC[C@H](C)[NH2+]C2)C[C@@H]1C ZINC001246980771 988812729 /nfs/dbraw/zinc/81/27/29/988812729.db2.gz SMYFBYCJTRUOMJ-MELADBBJSA-N 2 0 239.407 1.541 20 0 BDADRP C[C@H]([NH3+])CN(C)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246981180 988812754 /nfs/dbraw/zinc/81/27/54/988812754.db2.gz NIFXZQIUKRGFFP-QJPTWQEYSA-N 2 0 227.396 1.432 20 0 BDADRP CC[C@@H]1C[C@H](N2CC[NH2+]C3=CCCC[C@@H]32)CC[NH2+]1 ZINC001246995811 988829895 /nfs/dbraw/zinc/82/98/95/988829895.db2.gz MXPLEOSUALTOKL-NFAWXSAZSA-N 2 0 249.402 1.859 20 0 BDADRP O=C1CCC[C@@H]2C[N@@H+]([C@@H]3CCC[NH2+]C3)C[C@H]12 ZINC001247007892 988834824 /nfs/dbraw/zinc/83/48/24/988834824.db2.gz ZCLUUODHVTVSQS-UTUOFQBUSA-N 2 0 222.332 1.039 20 0 BDADRP [NH3+][C@@H]1CCC12CCN(C1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC001247002914 988837544 /nfs/dbraw/zinc/83/75/44/988837544.db2.gz QWQFUNRBMBDTKQ-QNMSZWNNSA-N 2 0 249.402 1.473 20 0 BDADRP CC[N@@H+]1CCN([C@H]2CC[C@H](C)[NH2+]C2)C[C@H]1C ZINC001247002729 988838135 /nfs/dbraw/zinc/83/81/35/988838135.db2.gz TYGWWTROAYGBCB-XQQFMLRXSA-N 2 0 225.380 1.153 20 0 BDADRP C1C[NH2+][C@@H]2CCN([C@H]3CCCC[NH2+]C3)C[C@@H]2C1 ZINC001247014566 988841945 /nfs/dbraw/zinc/84/19/45/988841945.db2.gz LAAAQARWNHOGIQ-MELADBBJSA-N 2 0 237.391 1.202 20 0 BDADRP CCC[NH2+]CCNC(=O)C(C)(C)[C@@H]([NH3+])C(C)C ZINC001119297200 988896802 /nfs/dbraw/zinc/89/68/02/988896802.db2.gz KCAIHBBQFBUNCM-NSHDSACASA-N 2 0 243.395 1.112 20 0 BDADRP C[NH+]1CCC(CCNC(=[NH2+])NCC(F)F)CC1 ZINC001119442319 989075215 /nfs/dbraw/zinc/07/52/15/989075215.db2.gz RGULTUWUJTWPNA-UHFFFAOYSA-N 2 0 248.321 1.097 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)CCCC[NH3+])C1 ZINC001325719220 989239006 /nfs/dbraw/zinc/23/90/06/989239006.db2.gz VWBFDMRNCKPYQQ-ZIAGYGMSSA-N 2 0 241.423 1.825 20 0 BDADRP C[C@@H]1COC[C@@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC001119632167 989262675 /nfs/dbraw/zinc/26/26/75/989262675.db2.gz NQBVRNRPVQCDLM-YYJSSNLHSA-N 2 0 212.337 1.128 20 0 BDADRP CC[C@H](O)C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001119682318 989329292 /nfs/dbraw/zinc/32/92/92/989329292.db2.gz FRNVDHXKQNLLAD-LBPRGKRZSA-N 2 0 226.364 1.223 20 0 BDADRP CC[N@@H+]1CCC[C@H](CN[C@H]2CCC[NH2+][C@@H]2C)C1 ZINC001119699496 989343448 /nfs/dbraw/zinc/34/34/48/989343448.db2.gz RKZAJOWFUKPTPF-MCIONIFRSA-N 2 0 239.407 1.448 20 0 BDADRP CC[N@@H+]1CCC[C@H](CN[C@H]2CCC[NH2+][C@H]2C)C1 ZINC001119699498 989344292 /nfs/dbraw/zinc/34/42/92/989344292.db2.gz RKZAJOWFUKPTPF-MJBXVCDLSA-N 2 0 239.407 1.448 20 0 BDADRP N[C@@H](c1noc([C@H]2CC[NH2+]2)n1)c1ccccc1 ZINC001326207510 989427250 /nfs/dbraw/zinc/42/72/50/989427250.db2.gz HJMQQPFQOKRZMA-NXEZZACHSA-N 2 0 230.271 1.152 20 0 BDADRP c1cc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)on1 ZINC001326278077 989460254 /nfs/dbraw/zinc/46/02/54/989460254.db2.gz RXZFDBSLLNSCCZ-UHFFFAOYSA-N 2 0 235.331 1.640 20 0 BDADRP CCC[C@@H](C)[C@@H](CO)[NH2+]CC1CC[NH+](C)CC1 ZINC001119971052 989522328 /nfs/dbraw/zinc/52/23/28/989522328.db2.gz GMYCFDDHLFYQQH-TZMCWYRMSA-N 2 0 242.407 1.715 20 0 BDADRP CCC[C@H](C)[C@H](CO)[NH2+]CC1CC[NH+](C)CC1 ZINC001119971050 989523890 /nfs/dbraw/zinc/52/38/90/989523890.db2.gz GMYCFDDHLFYQQH-JSGCOSHPSA-N 2 0 242.407 1.715 20 0 BDADRP C[C@H](C[NH3+])NC(=O)CCCCC1CC[NH2+]CC1 ZINC001521518718 989723767 /nfs/dbraw/zinc/72/37/67/989723767.db2.gz HCTZGYYXKBLCAU-LLVKDONJSA-N 2 0 241.379 1.010 20 0 BDADRP CCC[NH2+][C@@H](C)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001122302862 990330177 /nfs/dbraw/zinc/33/01/77/990330177.db2.gz BVRJPANCYAUOGB-RYUDHWBXSA-N 2 0 241.379 1.023 20 0 BDADRP [NH3+]Cc1ccccc1NC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC001122346342 990352671 /nfs/dbraw/zinc/35/26/71/990352671.db2.gz PPJPANJTVBPBEQ-BXUZGUMPSA-N 2 0 245.326 1.083 20 0 BDADRP CC(C)C[C@@H]([NH3+])CC(=O)N(C)CCC[NH+](C)C ZINC001122369525 990360117 /nfs/dbraw/zinc/36/01/17/990360117.db2.gz MDEQFIMGBVOCMH-GFCCVEGCSA-N 2 0 243.395 1.160 20 0 BDADRP C[C@H](CC[NH+](C)C)C(=O)NCC(C)(C)[NH+](C)C ZINC001540265206 990600067 /nfs/dbraw/zinc/60/00/67/990600067.db2.gz CHTWZVBKXHUQOX-LLVKDONJSA-N 2 0 243.395 1.031 20 0 BDADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNc1cc(N)ncn1 ZINC001548510082 990763913 /nfs/dbraw/zinc/76/39/13/990763913.db2.gz ODSPOLZAKJBMHA-GHMZBOCLSA-N 2 0 249.362 1.734 20 0 BDADRP CC(C)=CCC[C@@H](C)[NH2+]C[C@H](O)C[NH3+] ZINC001258079928 990977317 /nfs/dbraw/zinc/97/73/17/990977317.db2.gz VXFZTPGNDFOOOW-GHMZBOCLSA-N 2 0 200.326 1.031 20 0 BDADRP C[C@]1(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CCCCO1 ZINC001308611989 991059823 /nfs/dbraw/zinc/05/98/23/991059823.db2.gz UEOSHFNQVXJUOV-RWMBFGLXSA-N 2 0 224.348 1.097 20 0 BDADRP Cc1n[nH]c(C)c1C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001139100599 991149233 /nfs/dbraw/zinc/14/92/33/991149233.db2.gz PNTMSIFYKPQJKZ-UHFFFAOYSA-N 2 0 248.374 1.554 20 0 BDADRP CC1(C)CCC[C@H](NC(=[NH2+])NCCCC[NH3+])C1 ZINC001258273512 991197709 /nfs/dbraw/zinc/19/77/09/991197709.db2.gz IPCZVSDNMGVIIK-NSHDSACASA-N 2 0 240.395 1.808 20 0 BDADRP CC1(C)CCC[C@@H]([NH+]2CCN(CC[NH3+])CC2)C1 ZINC001258274164 991198361 /nfs/dbraw/zinc/19/83/61/991198361.db2.gz NYRCMVTYFSKLGX-CYBMUJFWSA-N 2 0 239.407 1.532 20 0 BDADRP COC(=O)CC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC001258350891 991282440 /nfs/dbraw/zinc/28/24/40/991282440.db2.gz DYPADLDDYYGYOV-RYUDHWBXSA-N 2 0 242.363 1.260 20 0 BDADRP COC(=O)CC[C@H](C)[NH+]1CCC(C)([NH3+])CC1 ZINC001258360599 991299377 /nfs/dbraw/zinc/29/93/77/991299377.db2.gz ORWYGPLHSBCYGK-JTQLQIEISA-N 2 0 228.336 1.141 20 0 BDADRP C[C@@H](CC1CC1)[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001258469386 991433872 /nfs/dbraw/zinc/43/38/72/991433872.db2.gz BCVYQASNGIYBNC-LBPRGKRZSA-N 2 0 237.391 1.107 20 0 BDADRP CCOC(=O)CC[C@H](C)[NH2+]C[C@H]1CC[N@H+](C)C1 ZINC001258477024 991451451 /nfs/dbraw/zinc/45/14/51/991451451.db2.gz YUSJAOQQWVGRAX-NWDGAFQWSA-N 2 0 242.363 1.260 20 0 BDADRP CC1(C)CC[C@H](NC(=[NH2+])NCCCC[NH3+])C1 ZINC001258594189 991490668 /nfs/dbraw/zinc/49/06/68/991490668.db2.gz CRVGWBNKSYGSQO-JTQLQIEISA-N 2 0 226.368 1.418 20 0 BDADRP C[C@@H](Cc1cccnc1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001258630264 991568853 /nfs/dbraw/zinc/56/88/53/991568853.db2.gz QEWDFCUCHUOPLW-AEGPPILISA-N 2 0 245.370 1.506 20 0 BDADRP C[C@H](Cc1cccc(Cl)c1)[NH2+]C[C@@H](O)C[NH3+] ZINC001258739360 991688792 /nfs/dbraw/zinc/68/87/92/991688792.db2.gz XLJLRNSEXHGIAZ-SKDRFNHKSA-N 2 0 242.750 1.180 20 0 BDADRP CCC[NH+]1CCC([N@@H+]2CCOC[C@H](C)C2)CC1 ZINC001258771691 991735956 /nfs/dbraw/zinc/73/59/56/991735956.db2.gz OZUNKHWPDFTHTB-CYBMUJFWSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CCOC1 ZINC001474734644 991786192 /nfs/dbraw/zinc/78/61/92/991786192.db2.gz BHLJOKJMMASVDK-IACUBPJLSA-N 2 0 238.375 1.343 20 0 BDADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC1CC[NH+](C)CC1 ZINC001319211330 991815059 /nfs/dbraw/zinc/81/50/59/991815059.db2.gz LWCKWSKJOVFUNF-ZIAGYGMSSA-N 2 0 239.407 1.543 20 0 BDADRP C[C@H]1C[NH+](CCCNc2cc[nH+]cc2)C[C@H](C)O1 ZINC001319288138 991835403 /nfs/dbraw/zinc/83/54/03/991835403.db2.gz XLDUPQPBRYDTML-STQMWFEESA-N 2 0 249.358 1.415 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CC[C@H](O)C1 ZINC001258897768 991891446 /nfs/dbraw/zinc/89/14/46/991891446.db2.gz OMMNIEFVWQGQOO-RDBSUJKOSA-N 2 0 242.407 2.000 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](CO)C1CC1 ZINC001258902977 991895067 /nfs/dbraw/zinc/89/50/67/991895067.db2.gz JEEDDJFPKLSYNH-OCCSQVGLSA-N 2 0 242.407 1.857 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)N(C)OCC[NH3+] ZINC001258901861 991895867 /nfs/dbraw/zinc/89/58/67/991895867.db2.gz OJNWGADVONLCFQ-LBPRGKRZSA-N 2 0 231.384 1.319 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1COC[C@@H]1F ZINC001258907211 991896455 /nfs/dbraw/zinc/89/64/55/991896455.db2.gz OQZHGXVFUHNROP-AVGNSLFASA-N 2 0 246.370 1.823 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)N1CC(C)([NH3+])C1 ZINC001258905489 991896521 /nfs/dbraw/zinc/89/65/21/991896521.db2.gz TWJHMJJFPAFLLO-LBPRGKRZSA-N 2 0 227.396 1.530 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCN(C)CC1 ZINC001258908605 991899250 /nfs/dbraw/zinc/89/92/50/991899250.db2.gz YOWTXZTXZWMPJB-CQSZACIVSA-N 2 0 241.423 1.744 20 0 BDADRP CC(C)[NH2+][C@@H](C)CCNC(=O)CCC[NH+](C)C ZINC001567226720 991967578 /nfs/dbraw/zinc/96/75/78/991967578.db2.gz AOFFFHBFXWVYPR-LBPRGKRZSA-N 2 0 243.395 1.221 20 0 BDADRP CCC[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001567593807 992067311 /nfs/dbraw/zinc/06/73/11/992067311.db2.gz RXURGROCHZUYQY-GFCCVEGCSA-N 2 0 243.395 1.031 20 0 BDADRP CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]C(C)C)[NH+](C)C ZINC001320606428 992268082 /nfs/dbraw/zinc/26/80/82/992268082.db2.gz GLHANLGRHPSRFP-RYUDHWBXSA-N 2 0 243.395 1.219 20 0 BDADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[NH+](C)CC ZINC001569147134 992333729 /nfs/dbraw/zinc/33/37/29/992333729.db2.gz RHVQQYZONPSAKH-GFCCVEGCSA-N 2 0 243.395 1.175 20 0 BDADRP CCC[NH2+]CCCN(C)C(=O)C[N@H+](C)C(C)C ZINC001569270342 992352963 /nfs/dbraw/zinc/35/29/63/992352963.db2.gz RQLRPHZQCCCVCK-UHFFFAOYSA-N 2 0 243.395 1.175 20 0 BDADRP CCOC1CC([NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)C1 ZINC001474756856 992515438 /nfs/dbraw/zinc/51/54/38/992515438.db2.gz MYCSBRKICAPAEC-MGBPRESASA-N 2 0 238.375 1.484 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)CO1 ZINC001474757323 992529546 /nfs/dbraw/zinc/52/95/46/992529546.db2.gz UVJYTIDRWGXOPP-QNWJLWSRSA-N 2 0 224.348 1.094 20 0 BDADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)[C@@H](C)O)CC1 ZINC001261891291 992564807 /nfs/dbraw/zinc/56/48/07/992564807.db2.gz DGSCSHPXIVFCMN-QWHCGFSZSA-N 2 0 242.407 1.856 20 0 BDADRP COCC[N@H+](CC1(C)CC1)C1CC[NH2+]CC1 ZINC001573985326 992787220 /nfs/dbraw/zinc/78/72/20/992787220.db2.gz BDYFTGGHVBOZAQ-UHFFFAOYSA-N 2 0 226.364 1.487 20 0 BDADRP Cc1cc(NC(=O)[C@@H]([NH3+])C(C)(C)C)cc(C)n1 ZINC001574137236 992810396 /nfs/dbraw/zinc/81/03/96/992810396.db2.gz MTBPERHRPRGKFY-LLVKDONJSA-N 2 0 235.331 1.432 20 0 BDADRP COC(=O)CC1([NH2+]CC2CC[NH+](C)CC2)CC1 ZINC001262373253 992867192 /nfs/dbraw/zinc/86/71/92/992867192.db2.gz RGAOYIXGVXIXCY-UHFFFAOYSA-N 2 0 240.347 1.014 20 0 BDADRP C1CC2(C1)CCC([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)CC2 ZINC001574794070 992907870 /nfs/dbraw/zinc/90/78/70/992907870.db2.gz AENYLSYIDGEFBG-ITGUQSILSA-N 2 0 220.360 1.907 20 0 BDADRP C([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CCC2(C[NH2+]C2)O1 ZINC001574794929 992911143 /nfs/dbraw/zinc/91/11/43/992911143.db2.gz IHDVCIVBFFNNMC-NDBYEHHHSA-N 2 0 236.359 1.286 20 0 BDADRP C([NH2+]CC1C[NH2+]C1)[C@@H]1C[C@@H]1C1CCCC1 ZINC001574796599 992911891 /nfs/dbraw/zinc/91/18/91/992911891.db2.gz YIZCOLQTZBNJDQ-QWHCGFSZSA-N 2 0 208.349 1.622 20 0 BDADRP C(C[C@H]1CCOC1)[NH2+][C@]12CCC[C@H]1C[NH2+]C2 ZINC001574816721 992916717 /nfs/dbraw/zinc/91/67/17/992916717.db2.gz KWBFXWVRNXKIAR-AVGNSLFASA-N 2 0 224.348 1.145 20 0 BDADRP C1[NH2+]CC12C[C@H]([NH2+][C@H]1CC[C@@H]3CCC[C@@H]31)CO2 ZINC001574817110 992922688 /nfs/dbraw/zinc/92/26/88/992922688.db2.gz RFSLGIXUMZQRIH-CYDGBPFRSA-N 2 0 236.359 1.286 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])C[NH2+][C@H]1C[C@H](O)C1 ZINC001575130217 992993462 /nfs/dbraw/zinc/99/34/62/992993462.db2.gz GYOQSDOHUODMMI-GMTAPVOTSA-N 2 0 214.353 1.253 20 0 BDADRP CC(C)(C)[NH+]1CCC(N[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001575140364 992997918 /nfs/dbraw/zinc/99/79/18/992997918.db2.gz RIYOGBHGDRITHL-KLPPZKSPSA-N 2 0 225.380 1.329 20 0 BDADRP CC(C)(C)N1CC[C@@H]1C[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001575141720 992998405 /nfs/dbraw/zinc/99/84/05/992998405.db2.gz YKTKEMSOIZHIBA-CBKZZEEASA-N 2 0 237.391 1.329 20 0 BDADRP CC(C)([NH3+])CNC1CC[NH+](CC2CC2)CC1 ZINC001575357905 993024233 /nfs/dbraw/zinc/02/42/33/993024233.db2.gz HPGKSNRLUXUMMY-UHFFFAOYSA-N 2 0 225.380 1.188 20 0 BDADRP CC(C)C[N@@H+]1CC[C@H](CNc2ccnc(N)n2)C1 ZINC001262686612 993026926 /nfs/dbraw/zinc/02/69/26/993026926.db2.gz PBAAGOIVINYUIS-LLVKDONJSA-N 2 0 249.362 1.449 20 0 BDADRP CC(C)(O)C[N@@H+]1C[C@@H]2CCCC[C@]2(C[NH3+])C1 ZINC001575379801 993029691 /nfs/dbraw/zinc/02/96/91/993029691.db2.gz LRVJKGXWJAZUMB-AAEUAGOBSA-N 2 0 226.364 1.208 20 0 BDADRP CC(C)[C@@H](C[NH3+])C[NH2+][C@H](CO)CC1CCC1 ZINC001575423495 993039446 /nfs/dbraw/zinc/03/94/46/993039446.db2.gz VLZNXFGIPYAAQX-STQMWFEESA-N 2 0 228.380 1.358 20 0 BDADRP CC(C)[C@H](C[NH3+])C[NH2+]C[C@@H](CO)CC1CC1 ZINC001575422273 993040702 /nfs/dbraw/zinc/04/07/02/993040702.db2.gz GZLKZWSRQWWCCX-QWHCGFSZSA-N 2 0 228.380 1.216 20 0 BDADRP CC(C)[C@H](CO)C[NH2+]C[C@@H](N)CC(F)(F)F ZINC001575436503 993045089 /nfs/dbraw/zinc/04/50/89/993045089.db2.gz ZPVOZHWIRHHZMT-IUCAKERBSA-N 2 0 242.285 1.120 20 0 BDADRP CC(C)C(C[NH2+]C[C@H]1C[NH2+]C[C@H]1O)C(C)C ZINC001575433111 993045307 /nfs/dbraw/zinc/04/53/07/993045307.db2.gz LBRBVLJYDFNPRY-WCQYABFASA-N 2 0 228.380 1.085 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC001575697576 993095266 /nfs/dbraw/zinc/09/52/66/993095266.db2.gz XVLUMIOBXLEIFM-QWHCGFSZSA-N 3 0 239.407 1.576 20 0 BDADRP CC(C)[NH2+]CCC[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001575731265 993102457 /nfs/dbraw/zinc/10/24/57/993102457.db2.gz XBORZVWUCPEFQT-UHFFFAOYSA-N 2 0 249.358 1.263 20 0 BDADRP CC(C)C[C@@H]([NH3+])CC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC001263106260 993116863 /nfs/dbraw/zinc/11/68/63/993116863.db2.gz PYVXAUXAJJFLPG-TUAOUCFPSA-N 2 0 241.379 1.136 20 0 BDADRP C[C@H](C[C@H]1CCOC1)[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC001575940793 993133196 /nfs/dbraw/zinc/13/31/96/993133196.db2.gz BQKOOHGHJZWNEI-SYQHCUMBSA-N 2 0 238.375 1.676 20 0 BDADRP C[C@@H](C[C@@H]1CCOC1)[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC001575940783 993133663 /nfs/dbraw/zinc/13/36/63/993133663.db2.gz BQKOOHGHJZWNEI-FQUUOJAGSA-N 2 0 238.375 1.676 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)CCn1cccn1 ZINC001575943479 993135629 /nfs/dbraw/zinc/13/56/29/993135629.db2.gz XCSNWVOEWQAQPR-OLZOCXBDSA-N 2 0 238.379 1.769 20 0 BDADRP C[C@@H](CC[NH3+])[NH2+]C[C@@]1(C)CCCCO1 ZINC001575962733 993141391 /nfs/dbraw/zinc/14/13/91/993141391.db2.gz WKLLJNMEAGNDRE-WDEREUQCSA-N 2 0 200.326 1.273 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]Cc1cccc2nsnc21 ZINC001575989110 993150642 /nfs/dbraw/zinc/15/06/42/993150642.db2.gz QXCZRQOSKZUVRS-MRVPVSSYSA-N 2 0 236.344 1.376 20 0 BDADRP CC(C)OC[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]CC1 ZINC001576041534 993165677 /nfs/dbraw/zinc/16/56/77/993165677.db2.gz PLEQIXVBZIGEFL-CHWSQXEVSA-N 2 0 228.380 1.779 20 0 BDADRP C[C@@H](Cc1ccno1)[NH2+]CCC1(C[NH3+])CC1 ZINC001576066651 993171585 /nfs/dbraw/zinc/17/15/85/993171585.db2.gz QCIDLICZWPHPQG-JTQLQIEISA-N 2 0 223.320 1.324 20 0 BDADRP C[C@H]([NH3+])CN1CCC[C@@]1(CO)c1ccccc1 ZINC001576157658 993198160 /nfs/dbraw/zinc/19/81/60/993198160.db2.gz UEOGTCFNEUEONF-GXTWGEPZSA-N 2 0 234.343 1.317 20 0 BDADRP C[C@H]([NH3+])CN1C[C@H]2COC[C@@]2(c2ccccc2)C1 ZINC001576157607 993198554 /nfs/dbraw/zinc/19/85/54/993198554.db2.gz SUWXATIFLWEZNG-AEGPPILISA-N 2 0 246.354 1.234 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)[C@H]1COC(C)(C)O1 ZINC001576239547 993226061 /nfs/dbraw/zinc/22/60/61/993226061.db2.gz PGUHSEDDUVECDJ-NNYUYHANSA-N 2 0 242.363 1.386 20 0 BDADRP C[C@@H]([NH2+]C1CC2(CC([NH3+])C2)C1)[C@@H]1CCCO1 ZINC001576238003 993227239 /nfs/dbraw/zinc/22/72/39/993227239.db2.gz BUBSJWTVLWMINZ-FDODLTCHSA-N 2 0 224.348 1.413 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CC[C@@H]([NH3+])C1)[C@H]1COC(C)(C)O1 ZINC001576244305 993229506 /nfs/dbraw/zinc/22/95/06/993229506.db2.gz KBUUOVCBPVOOFR-NNYUYHANSA-N 2 0 242.363 1.243 20 0 BDADRP C[C@@H]([NH2+]CC1([NH3+])CCCC1)[C@H]1COC(C)(C)O1 ZINC001576244248 993230404 /nfs/dbraw/zinc/23/04/04/993230404.db2.gz JJMXDJIJOSYIRG-GHMZBOCLSA-N 2 0 242.363 1.388 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]CC1)[C@@H]1CCCCO1 ZINC001576243457 993231077 /nfs/dbraw/zinc/23/10/77/993231077.db2.gz CJWVAZZCGHQFFF-MJBXVCDLSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC(C)(C)CC[C@H]1O)C1C[NH2+]C1 ZINC001576252199 993231887 /nfs/dbraw/zinc/23/18/87/993231887.db2.gz PZAOXHSJXUGPSW-MVWJERBFSA-N 2 0 226.364 1.124 20 0 BDADRP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1C[C@H]1C1CC1 ZINC001576249809 993233804 /nfs/dbraw/zinc/23/38/04/993233804.db2.gz AKTPUYCMWUGFLY-ZNNZHFKNSA-N 2 0 206.333 1.228 20 0 BDADRP C[C@H](O)C(C)(C)C[NH2+]C1CCC([NH3+])CC1 ZINC001576267659 993239683 /nfs/dbraw/zinc/23/96/83/993239683.db2.gz YRNOUNWXGLQLNU-WHXUTIOJSA-N 2 0 214.353 1.253 20 0 BDADRP Cc1cc(NCC2C[NH+](C)C2)cc(C)[nH+]1 ZINC000379472214 993247374 /nfs/dbraw/zinc/24/73/74/993247374.db2.gz JOGSWYBIKYHLNX-UHFFFAOYSA-N 2 0 205.305 1.094 20 0 BDADRP COC(=O)C(C)(C)C[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC000379807281 993281865 /nfs/dbraw/zinc/28/18/65/993281865.db2.gz OFIWJIBDSRGRNU-NSHDSACASA-N 2 0 242.363 1.260 20 0 BDADRP CC1(C)CC[C@@H](C[NH2+]C2CC3(C[C@H]3[NH3+])C2)O1 ZINC001576421105 993298639 /nfs/dbraw/zinc/29/86/39/993298639.db2.gz GCQFCSXQAATMCZ-PCQVFGIUSA-N 2 0 224.348 1.413 20 0 BDADRP CC1(C)CCC[C@]1(O)C[NH2+]CC12CC(C1)C[NH2+]2 ZINC001576426092 993302980 /nfs/dbraw/zinc/30/29/80/993302980.db2.gz AOEXUQNCEXVAHQ-UBHUBRDASA-N 2 0 238.375 1.269 20 0 BDADRP CC1(C)CC[C@@H](O)[C@H]([NH2+]C[C@@]23C[C@@H]2C[NH2+]C3)C1 ZINC001576446454 993308100 /nfs/dbraw/zinc/30/81/00/993308100.db2.gz QJSSAIZJTFMUIH-BYNQJWBRSA-N 2 0 238.375 1.125 20 0 BDADRP CC1(C)CC[C@@H](O)[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001576445629 993308707 /nfs/dbraw/zinc/30/87/07/993308707.db2.gz FBHMQRQIWDLTIU-WRWGMCAJSA-N 2 0 226.364 1.253 20 0 BDADRP CC1(C)C[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)CC[C@H]1O ZINC001576457806 993312222 /nfs/dbraw/zinc/31/22/22/993312222.db2.gz OQQWPILWBICNRZ-QJPTWQEYSA-N 2 0 226.364 1.207 20 0 BDADRP C[C@@]1(C[N@@H+]2CC[C@H](CC[NH3+])C2)CCCCO1 ZINC001576504005 993326435 /nfs/dbraw/zinc/32/64/35/993326435.db2.gz ZZOAXTNDJDBGLQ-STQMWFEESA-N 2 0 226.364 1.616 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](F)C2)CC1 ZINC000380355646 993327364 /nfs/dbraw/zinc/32/73/64/993327364.db2.gz WSRMGWAYPIFDPV-GRYCIOLGSA-N 2 0 214.328 1.951 20 0 BDADRP C[C@@]1(C[NH2+][C@@H]2C[C@@H]3COC[C@H]23)CCC[NH2+]C1 ZINC001576518560 993328867 /nfs/dbraw/zinc/32/88/67/993328867.db2.gz AIJMMCHDOORUFG-YVECIDJPSA-N 2 0 224.348 1.001 20 0 BDADRP C[C@]1(CO)CCC[N@@H+]1C[C@H]1CCCC[NH2+]C1 ZINC001576525834 993329672 /nfs/dbraw/zinc/32/96/72/993329672.db2.gz ITDNAVDURJHDFI-QWHCGFSZSA-N 2 0 226.364 1.223 20 0 BDADRP C[C@]1(C[NH2+]C2CC3(C[C@@H]3[NH3+])C2)CCCCO1 ZINC001576519111 993330475 /nfs/dbraw/zinc/33/04/75/993330475.db2.gz KKBLAQKVOYSUND-CMOBGSAGSA-N 2 0 224.348 1.415 20 0 BDADRP [NH3+]C[C@H]1CCCC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000380668633 993341257 /nfs/dbraw/zinc/34/12/57/993341257.db2.gz AIOBYBBOUGREIK-OLZOCXBDSA-N 2 0 226.364 1.474 20 0 BDADRP CC12CC(C[NH2+][C@@H]3C[C@H]([NH3+])C3(C)C)(C1)CO2 ZINC001576552832 993341694 /nfs/dbraw/zinc/34/16/94/993341694.db2.gz DZKBXYXTVCDKCR-YSARLGLZSA-N 2 0 224.348 1.271 20 0 BDADRP [NH3+]C[C@H]1CCCC[N@H+](C[C@H]2CCCOC2)C1 ZINC000380668631 993342713 /nfs/dbraw/zinc/34/27/13/993342713.db2.gz AIOBYBBOUGREIK-CHWSQXEVSA-N 2 0 226.364 1.474 20 0 BDADRP C[C@H]1CC(C)(C)C[N@@H+]1C[C@@]1(O)CCC[NH2+]C1 ZINC001576589504 993358108 /nfs/dbraw/zinc/35/81/08/993358108.db2.gz QJBNKDTYSZBBGZ-WCQYABFASA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[C@@H]3CC[C@H]2O3)CC[NH2+]1 ZINC001576597472 993361258 /nfs/dbraw/zinc/36/12/58/993361258.db2.gz FINOKWIXEJSGIK-UJPOAAIJSA-N 2 0 224.348 1.284 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+]C[C@@H]2CCCCN2C)CC[NH2+]1 ZINC001576599908 993364035 /nfs/dbraw/zinc/36/40/35/993364035.db2.gz YKNZVWNWYPDFBP-MCIONIFRSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C2CC3(CC([NH3+])C3)C2)CCN1C ZINC001576623970 993372656 /nfs/dbraw/zinc/37/26/56/993372656.db2.gz NJUHNTBQPKXTSA-UNUDTGPYSA-N 2 0 237.391 1.329 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC001576623979 993373042 /nfs/dbraw/zinc/37/30/42/993373042.db2.gz NPLGFWMGAQKHOB-NAWOPXAZSA-N 2 0 226.364 1.076 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C2CC3(CC([NH3+])C3)C2)[C@H](C)O1 ZINC001576622886 993373660 /nfs/dbraw/zinc/37/36/60/993373660.db2.gz HUFHNXVPICYBCB-BYFPWIPJSA-N 2 0 224.348 1.412 20 0 BDADRP CN1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000381374413 993387117 /nfs/dbraw/zinc/38/71/17/993387117.db2.gz JGTCPUHYPITNCE-FRRDWIJNSA-N 2 0 225.380 1.153 20 0 BDADRP C[C@@H]1CC[C@@H](NC[C@H]2C[NH+]3CCC2CC3)C[NH2+]1 ZINC001576669932 993389497 /nfs/dbraw/zinc/38/94/97/993389497.db2.gz CXTAFEPRFQSDCP-KWCYVHTRSA-N 2 0 237.391 1.058 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CCC[NH2+]C2)[C@@H](C)C1 ZINC001576670438 993389523 /nfs/dbraw/zinc/38/95/23/993389523.db2.gz IFSFHLDKQXVGKR-RFGFWPKPSA-N 2 0 240.391 1.515 20 0 BDADRP C[C@@H]1COCC[C@@H]1C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC001576852111 993433823 /nfs/dbraw/zinc/43/38/23/993433823.db2.gz AZEVZNMRVDXKHM-KKOKHZNYSA-N 2 0 226.364 1.374 20 0 BDADRP C[C@@H]1COCC[C@@H]1C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC001576852113 993434597 /nfs/dbraw/zinc/43/45/97/993434597.db2.gz AZEVZNMRVDXKHM-WYUUTHIRSA-N 2 0 226.364 1.374 20 0 BDADRP C[C@@H]1COCC[C@@H]1C[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001576853678 993434992 /nfs/dbraw/zinc/43/49/92/993434992.db2.gz JGEWPHBBSGXAJD-BFCCFQBASA-N 2 0 224.348 1.128 20 0 BDADRP CCC(CC)(CCO)C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC001577049728 993486798 /nfs/dbraw/zinc/48/67/98/993486798.db2.gz CKPMHHSWZAWEPX-OLZOCXBDSA-N 2 0 242.407 1.892 20 0 BDADRP CC[C@H](C[C@@H](C)O)[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001577044324 993487388 /nfs/dbraw/zinc/48/73/88/993487388.db2.gz RFPLLAPMIBURPD-GRGSRKJBSA-N 2 0 212.337 1.005 20 0 BDADRP CCC(CC)(C[NH3+])CN[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001577052141 993489671 /nfs/dbraw/zinc/48/96/71/993489671.db2.gz JSIVBUDEDLZHRD-VXGBXAGGSA-N 2 0 227.396 1.434 20 0 BDADRP CCC(CC)(C[NH3+])C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC001577051219 993489718 /nfs/dbraw/zinc/48/97/18/993489718.db2.gz MAWCUDQWHVPOGK-NSHDSACASA-N 2 0 226.364 1.208 20 0 BDADRP CC[C@H](CO)[N@@H+]1C[C@H]2CCCC[C@]2(C[NH3+])C1 ZINC001577090098 993497620 /nfs/dbraw/zinc/49/76/20/993497620.db2.gz PKQVVAFVISCWLI-UPJWGTAASA-N 2 0 226.364 1.208 20 0 BDADRP CCC([NH3+])(CC)C[NH2+]C1CCN(C(C)=O)CC1 ZINC001577109590 993506993 /nfs/dbraw/zinc/50/69/93/993506993.db2.gz LMLCQEADADSSCQ-UHFFFAOYSA-N 2 0 241.379 1.104 20 0 BDADRP Cc1ccncc1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC000383665676 993513799 /nfs/dbraw/zinc/51/37/99/993513799.db2.gz MWTZNRSIVGMPOE-CYBMUJFWSA-N 2 0 233.359 1.951 20 0 BDADRP CC[C@H]([NH2+]C[C@@]1(O)CC[NH2+]C1)[C@@H]1CC1(C)C ZINC001577176212 993533945 /nfs/dbraw/zinc/53/39/45/993533945.db2.gz WEXHGAKVKRYPDQ-GMXVVIOVSA-N 2 0 226.364 1.125 20 0 BDADRP Cc1ccc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)nc1 ZINC000384016295 993534011 /nfs/dbraw/zinc/53/40/11/993534011.db2.gz QLTYXWNTTDVMPI-ZDUSSCGKSA-N 2 0 233.359 1.951 20 0 BDADRP CCC1(C[NH2+][C@H]2C[C@@H]([NH3+])C2)CCOCC1 ZINC001577220806 993544605 /nfs/dbraw/zinc/54/46/05/993544605.db2.gz NNZCGGZKNDVJQL-PHIMTYICSA-N 2 0 212.337 1.273 20 0 BDADRP CCC1(O)CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC001577234192 993549748 /nfs/dbraw/zinc/54/97/48/993549748.db2.gz WRPSJHFSRSJICK-NEPJUHHUSA-N 2 0 226.364 1.079 20 0 BDADRP CC[C@H]1[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCO[C@@H](CC)C1 ZINC001577241347 993555741 /nfs/dbraw/zinc/55/57/41/993555741.db2.gz RPVSJLPPUJFTSJ-FQUUOJAGSA-N 2 0 240.391 1.922 20 0 BDADRP CC[C@H]1CC[N@H+](CCN2CC[NH2+]CC2)[C@H]1C ZINC001577263958 993573837 /nfs/dbraw/zinc/57/38/37/993573837.db2.gz WBLVDIFUNPIVRQ-STQMWFEESA-N 2 0 225.380 1.012 20 0 BDADRP CCCC(C)(C)[NH2+]C[C@@H]([NH3+])CCOC ZINC001577324856 993589668 /nfs/dbraw/zinc/58/96/68/993589668.db2.gz CTGMKKBZCLHYTO-JTQLQIEISA-N 2 0 202.342 1.519 20 0 BDADRP CCC[C@H](C)[C@H](CO)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC001577335772 993599782 /nfs/dbraw/zinc/59/97/82/993599782.db2.gz BMUWYFOJAUUNCJ-RNJOBUHISA-N 2 0 228.380 1.229 20 0 BDADRP CCC[C@H](CCO)[NH2+]C1CC(CC[NH3+])C1 ZINC001577357943 993616126 /nfs/dbraw/zinc/61/61/26/993616126.db2.gz LPTCKQUDQFVUQO-MOENNCHZSA-N 2 0 214.353 1.255 20 0 BDADRP CCC[C@@]1(CO)CC[N@H+](CCC[NH2+]C2CC2)C1 ZINC001577371778 993625804 /nfs/dbraw/zinc/62/58/04/993625804.db2.gz LODVRSPGWKKYHF-CQSZACIVSA-N 2 0 240.391 1.613 20 0 BDADRP CCCCN(C)C[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC001577446828 993664246 /nfs/dbraw/zinc/66/42/46/993664246.db2.gz ADHJFMWUUBQDOZ-RWMBFGLXSA-N 2 0 227.396 1.434 20 0 BDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)C[NH2+]C(C)C ZINC001577510290 993668383 /nfs/dbraw/zinc/66/83/83/993668383.db2.gz IXAHYWNSYMTUDR-GFCCVEGCSA-N 2 0 243.395 1.221 20 0 BDADRP CCCN(CC[NH+](CC)CC)C[C@@H](C)[NH3+] ZINC001577519647 993676815 /nfs/dbraw/zinc/67/68/15/993676815.db2.gz QZKIKBFLAIZQTG-GFCCVEGCSA-N 2 0 215.385 1.387 20 0 BDADRP CCCNC(=O)CCC[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC001577539313 993679965 /nfs/dbraw/zinc/67/99/65/993679965.db2.gz YQJPZTYRMNRVGJ-VXGBXAGGSA-N 2 0 241.379 1.152 20 0 BDADRP CC[N@H+](C)[C@@H]1CCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC001577655151 993705343 /nfs/dbraw/zinc/70/53/43/993705343.db2.gz SXMYMLBZYKJMJG-OLZOCXBDSA-N 2 0 225.380 1.012 20 0 BDADRP C[N@@H+]1CCC[C@H](N2CCCC[C@@H](C[NH3+])C2)C1 ZINC000390620862 993798446 /nfs/dbraw/zinc/79/84/46/993798446.db2.gz FPHNWTTUARZAMJ-STQMWFEESA-N 2 0 225.380 1.141 20 0 BDADRP CCCO[C@@H]1CC[N@@H+]([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000701663359 993898194 /nfs/dbraw/zinc/89/81/94/993898194.db2.gz MWEYIHZUGWXTFW-JHJVBQTASA-N 2 0 226.364 1.628 20 0 BDADRP CC[NH+](CC)C[C@H](O)C[NH2+]CC1CC(C)(C)C1 ZINC000701933807 993941775 /nfs/dbraw/zinc/94/17/75/993941775.db2.gz KOEOWCNWULLRPU-CYBMUJFWSA-N 2 0 242.407 1.715 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC000702217694 993972967 /nfs/dbraw/zinc/97/29/67/993972967.db2.gz XBJVYZZQRKFBSC-OPRDCNLKSA-N 2 0 200.326 1.127 20 0 BDADRP C[C@@H]1CC([NH2+]C2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000702212735 993974942 /nfs/dbraw/zinc/97/49/42/993974942.db2.gz BVGRKFKRKXYSLB-NXEZZACHSA-N 2 0 212.337 1.284 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](CC[C@H]3CCOC3)C[C@@H]2C1 ZINC001333190586 994425441 /nfs/dbraw/zinc/42/54/41/994425441.db2.gz MIALYLNKIFHFLK-MJBXVCDLSA-N 2 0 238.375 1.297 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](CC[C@@H]3CCOC3)C[C@@H]2C1 ZINC001333190570 994426777 /nfs/dbraw/zinc/42/67/77/994426777.db2.gz MIALYLNKIFHFLK-MCIONIFRSA-N 2 0 238.375 1.297 20 0 BDADRP Cc1c([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cnn1C ZINC001336116618 994957147 /nfs/dbraw/zinc/95/71/47/994957147.db2.gz HNFZSPWALHPOCU-IEBDPFPHSA-N 2 0 222.336 1.116 20 0 BDADRP Nc1nccc(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)n1 ZINC001338030421 995225053 /nfs/dbraw/zinc/22/50/53/995225053.db2.gz YOKKVIUGRULFAQ-WDEREUQCSA-N 2 0 247.346 1.488 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCC1(C)C ZINC000336656212 398143965 /nfs/dbraw/zinc/14/39/65/398143965.db2.gz AIASAWKRAYPOAO-WDEREUQCSA-N 2 0 214.353 1.519 20 0 BDADRP Cc1ccc(CN[C@H]2CC[N@H+](C)[C@H](C)C2)nc1 ZINC000161739143 349492022 /nfs/dbraw/zinc/49/20/22/349492022.db2.gz HEZRFWBDNBGOIA-OLZOCXBDSA-N 2 0 233.359 1.962 20 0 BDADRP CCC(CC)(CO)C[NH2+][C@@H](C)CCC[NH3+] ZINC000308874653 168328227 /nfs/dbraw/zinc/32/82/27/168328227.db2.gz UEPWXDJESMRZMY-NSHDSACASA-N 2 0 216.369 1.502 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCC1(C)C ZINC000336656210 398144285 /nfs/dbraw/zinc/14/42/85/398144285.db2.gz AIASAWKRAYPOAO-MNOVXSKESA-N 2 0 214.353 1.519 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000580893488 398169104 /nfs/dbraw/zinc/16/91/04/398169104.db2.gz SQPNDKWHRZAEBU-XHJNMGKDSA-N 3 0 237.391 1.234 20 0 BDADRP C[NH+](C)CCOC1CC[NH+](CC2(F)CC2)CC1 ZINC000527510465 398169970 /nfs/dbraw/zinc/16/99/70/398169970.db2.gz VAKUYHQNWWNTOU-UHFFFAOYSA-N 2 0 244.354 1.531 20 0 BDADRP C[C@H]([NH2+][C@H](CO)CC1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000423023700 398162978 /nfs/dbraw/zinc/16/29/78/398162978.db2.gz KELJSRRPHJMFFE-YUTCNCBUSA-N 2 0 240.391 1.515 20 0 BDADRP C[C@H]1C[C@H](C[NH2+]CCc2ccccn2)CC[NH2+]1 ZINC000415117635 398163369 /nfs/dbraw/zinc/16/33/69/398163369.db2.gz VVDWFXIRFOOOAG-QWHCGFSZSA-N 2 0 233.359 1.602 20 0 BDADRP C[C@@H]([NH2+]CCC[NH3+])c1ccc2c(c1)COC2 ZINC000423174363 398164077 /nfs/dbraw/zinc/16/40/77/398164077.db2.gz ANTRYLXCCHOUQH-SNVBAGLBSA-N 2 0 220.316 1.716 20 0 BDADRP COCC1CCC([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000423174719 398164174 /nfs/dbraw/zinc/16/41/74/398164174.db2.gz COGSEAOSONJHTO-RYSNWHEDSA-N 2 0 240.391 1.922 20 0 BDADRP [NH3+]CCCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000423327032 398166217 /nfs/dbraw/zinc/16/62/17/398166217.db2.gz MRQLZPFVRWXWHU-XQQFMLRXSA-N 2 0 238.375 1.663 20 0 BDADRP Cc1nccnc1[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000187964933 398195419 /nfs/dbraw/zinc/19/54/19/398195419.db2.gz GUMKTYDRWHJTQP-GFCCVEGCSA-N 2 0 248.374 1.777 20 0 BDADRP Cc1cc(N2CC[C@@H]([C@@H](C)[NH3+])C2)cc[nH+]1 ZINC000229577375 178118550 /nfs/dbraw/zinc/11/85/50/178118550.db2.gz AGXTWQQHUADLGZ-GHMZBOCLSA-N 2 0 205.305 1.564 20 0 BDADRP C[C@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)C(C)(C)C ZINC000162812897 538924722 /nfs/dbraw/zinc/92/47/22/538924722.db2.gz RSOAFASGPZWLDU-CHWSQXEVSA-N 2 0 242.407 1.715 20 0 BDADRP C[C@H](C[NH2+][C@H]1CCC[C@H]1[NH3+])CC(F)F ZINC000647801212 398207666 /nfs/dbraw/zinc/20/76/66/398207666.db2.gz RAGSGQSBERRWSL-YIZRAAEISA-N 2 0 206.280 1.747 20 0 BDADRP CC1([NH3+])CC[NH+](CCc2cccnc2)CC1 ZINC000649416046 398215806 /nfs/dbraw/zinc/21/58/06/398215806.db2.gz JRPZHYNVKPUQJG-UHFFFAOYSA-N 2 0 219.332 1.437 20 0 BDADRP C[C@@H]1CCN(CCc2cn[nH]c2)[C@H](C[NH3+])C1 ZINC000380997978 398216191 /nfs/dbraw/zinc/21/61/91/398216191.db2.gz NEVKKTYMUUHTPS-PWSUYJOCSA-N 2 0 222.336 1.011 20 0 BDADRP Cc1cc(C)n(CC[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000386750722 398219238 /nfs/dbraw/zinc/21/92/38/398219238.db2.gz GLZVNXHCCAOQHT-OLZOCXBDSA-N 2 0 236.363 1.169 20 0 BDADRP Cc1cc(NCC[N@@H+](C)C2CC2)cc[nH+]1 ZINC000229566859 178159966 /nfs/dbraw/zinc/15/99/66/178159966.db2.gz BFCHETRGPHDZEI-UHFFFAOYSA-N 2 0 205.305 1.896 20 0 BDADRP C[C@@H]1C[C@H](N(C)C[C@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000649413858 398211965 /nfs/dbraw/zinc/21/19/65/398211965.db2.gz NRBMPSOFPVMPGS-FRRDWIJNSA-N 2 0 225.380 1.010 20 0 BDADRP CCC[C@@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000020200466 538931127 /nfs/dbraw/zinc/93/11/27/538931127.db2.gz QBGGMWUTZNAZHO-CYBMUJFWSA-N 2 0 241.423 1.791 20 0 BDADRP C[C@H]1CN(C)C[C@@H]1[NH2+]CCCC1(O)CCC1 ZINC000421369289 192334408 /nfs/dbraw/zinc/33/44/08/192334408.db2.gz HAQRNPOPMYOEIV-RYUDHWBXSA-N 2 0 226.364 1.221 20 0 BDADRP CC(C)[NH+]1CCN([C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000229542224 538939534 /nfs/dbraw/zinc/93/95/34/538939534.db2.gz LUWLMFFPWHXYGN-CHWSQXEVSA-N 2 0 225.380 1.153 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCCc3cn[nH]c32)C1 ZINC000576478935 365607666 /nfs/dbraw/zinc/60/76/66/365607666.db2.gz HRRNOARGODNPGL-UTUOFQBUSA-N 2 0 234.347 1.647 20 0 BDADRP c1n[nH]cc1CC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000381439579 398253606 /nfs/dbraw/zinc/25/36/06/398253606.db2.gz KYJOGJYZJBMBPR-CQSZACIVSA-N 2 0 248.374 1.416 20 0 BDADRP C[C@H](C[NH2+]CC1(C)CC1)CN1CC[NH+](C)CC1 ZINC000576683928 365656364 /nfs/dbraw/zinc/65/63/64/365656364.db2.gz DOIGYOXXPCXXRI-CYBMUJFWSA-N 2 0 239.407 1.260 20 0 BDADRP CO[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)C1CC1 ZINC000383229321 398257252 /nfs/dbraw/zinc/25/72/52/398257252.db2.gz MUCPTGXUGCPGOC-BXUZGUMPSA-N 2 0 240.391 1.731 20 0 BDADRP CC(C)[N@@H+](C)C[C@@H](C)N[C@@H](C)c1ncc[nH]1 ZINC000290034389 538946414 /nfs/dbraw/zinc/94/64/14/538946414.db2.gz DAYOYTWSKQKTRY-MNOVXSKESA-N 2 0 224.352 1.789 20 0 BDADRP CC[C@H](C)[C@@H](C[NH2+]CC1CC[NH+](C)CC1)OC ZINC000381387204 398255234 /nfs/dbraw/zinc/25/52/34/398255234.db2.gz MTZIMSMOBCDGCO-GXTWGEPZSA-N 2 0 242.407 1.979 20 0 BDADRP CC[C@H](C)[C@H](C[NH2+]CC1CC[NH+](C)CC1)OC ZINC000381387206 398255247 /nfs/dbraw/zinc/25/52/47/398255247.db2.gz MTZIMSMOBCDGCO-JSGCOSHPSA-N 2 0 242.407 1.979 20 0 BDADRP C[NH2+][C@@H](C)c1cn(Cc2cnccc2OC)nn1 ZINC000385742402 398262828 /nfs/dbraw/zinc/26/28/28/398262828.db2.gz QJEJSWPQSUSASE-VIFPVBQESA-N 2 0 247.302 1.010 20 0 BDADRP COC[C@H](C)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000309574655 342684889 /nfs/dbraw/zinc/68/48/89/342684889.db2.gz OHHGNIVJEWYEBJ-UPJWGTAASA-N 2 0 226.364 1.200 20 0 BDADRP CCOC[C@@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000166565443 361853868 /nfs/dbraw/zinc/85/38/68/361853868.db2.gz DYGUCPCWRHIMJA-GFCCVEGCSA-N 2 0 216.369 1.731 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC000038043748 538964823 /nfs/dbraw/zinc/96/48/23/538964823.db2.gz PBNZQNDJVUCSTK-CYBMUJFWSA-N 2 0 240.391 1.875 20 0 BDADRP CCC(CC)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000053382887 168388918 /nfs/dbraw/zinc/38/89/18/168388918.db2.gz XTUBGBGJIYEBCC-UHFFFAOYSA-N 2 0 241.423 1.791 20 0 BDADRP C[C@H]([NH2+][C@H](CCO)C(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC000583988666 342830020 /nfs/dbraw/zinc/83/00/20/342830020.db2.gz PCBHIYZCNCPQCB-RWMBFGLXSA-N 2 0 242.407 1.761 20 0 BDADRP COCCCC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000044656980 538989715 /nfs/dbraw/zinc/98/97/15/538989715.db2.gz XDHZUIIMXFESED-GFCCVEGCSA-N 2 0 228.380 1.733 20 0 BDADRP C[C@@H]([NH2+]CCCC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000045663863 538992966 /nfs/dbraw/zinc/99/29/66/538992966.db2.gz SQUFCCFQXCIWEV-CYBMUJFWSA-N 3 0 241.423 1.648 20 0 BDADRP C[C@@H]([NH2+]CCN1CCC1)C1CC[NH+](C)CC1 ZINC000381461823 539001006 /nfs/dbraw/zinc/00/10/06/539001006.db2.gz LFWYVHHKKSDCFW-GFCCVEGCSA-N 2 0 225.380 1.012 20 0 BDADRP C[C@@H]([NH2+]Cc1cocn1)C1CC[NH+](C)CC1 ZINC000381521086 539003172 /nfs/dbraw/zinc/00/31/72/539003172.db2.gz USACDRDYVHVWBZ-SNVBAGLBSA-N 2 0 223.320 1.495 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCOCC1CCC1 ZINC000562280591 323014828 /nfs/dbraw/zinc/01/48/28/323014828.db2.gz DGPWQESEFRBNEA-OCCSQVGLSA-N 2 0 240.391 1.733 20 0 BDADRP CC[C@H](COC)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401013533 529398851 /nfs/dbraw/zinc/39/88/51/529398851.db2.gz NMTOVDFGRBUXFP-UMSGYPCISA-N 2 0 226.364 1.389 20 0 BDADRP COCC1([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000381759657 539006931 /nfs/dbraw/zinc/00/69/31/539006931.db2.gz TULMXPDUFWDLFW-NWDGAFQWSA-N 2 0 224.348 1.382 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000381300223 538997605 /nfs/dbraw/zinc/99/76/05/538997605.db2.gz DDEMUHIWJBCNII-AGIUHOORSA-N 2 0 228.380 1.874 20 0 BDADRP C[C@H]([NH2+][C@@H](C)C(C)(C)O)C1CC[NH+](C)CC1 ZINC000381290748 538997613 /nfs/dbraw/zinc/99/76/13/538997613.db2.gz DAMIJJOMYZAVTN-QWRGUYRKSA-N 2 0 228.380 1.466 20 0 BDADRP C[C@H]1CN(CCC[NH2+]C2CSC2)CCCO1 ZINC000390510313 539022713 /nfs/dbraw/zinc/02/27/13/539022713.db2.gz ZGJSDVJDXIYARW-NSHDSACASA-N 2 0 244.404 1.192 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)C1 ZINC000392184295 539028173 /nfs/dbraw/zinc/02/81/73/539028173.db2.gz BTGSMQQEXPPXEV-ZIAGYGMSSA-N 2 0 238.375 1.796 20 0 BDADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C1CSC1 ZINC000389744698 539017056 /nfs/dbraw/zinc/01/70/56/539017056.db2.gz XAZRNZDEZWWANU-LLVKDONJSA-N 2 0 228.405 1.956 20 0 BDADRP CO[C@H](C[NH2+]C[C@H]1CCC[N@H+](C)C1)C1CC1 ZINC000382156176 398307886 /nfs/dbraw/zinc/30/78/86/398307886.db2.gz RILCYBSFLDJYGJ-DGCLKSJQSA-N 2 0 226.364 1.343 20 0 BDADRP CC1(C)CC(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000625100563 342856191 /nfs/dbraw/zinc/85/61/91/342856191.db2.gz UEVCGKKOEAYMLD-VXGBXAGGSA-N 2 0 208.349 1.574 20 0 BDADRP CC[NH2+]CCC[NH2+][C@@H]1C[C@@H](OCC)C1(C)C ZINC000233510752 342909946 /nfs/dbraw/zinc/90/99/46/342909946.db2.gz GOCJIGTUJLKIGF-VXGBXAGGSA-N 2 0 228.380 1.779 20 0 BDADRP CCC[C@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394341304 398336656 /nfs/dbraw/zinc/33/66/56/398336656.db2.gz XWFJNTRXAGGCNS-PIGZVRMJSA-N 2 0 240.391 1.704 20 0 BDADRP Cc1cnn(C)c1CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000352793355 398336858 /nfs/dbraw/zinc/33/68/58/398336858.db2.gz ORBLSAZCFSQZOG-GFCCVEGCSA-N 2 0 248.374 1.302 20 0 BDADRP C[C@H](CN[C@H]1C[C@@H](C)n2ccnc21)[NH+](C)C ZINC000294179075 398341361 /nfs/dbraw/zinc/34/13/61/398341361.db2.gz RVUCKTUMRLCYFR-MXWKQRLJSA-N 2 0 222.336 1.429 20 0 BDADRP CC(C)(C)CC[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313344727 259333529 /nfs/dbraw/zinc/33/35/29/259333529.db2.gz QFCRRPQUYRPFHN-NSHDSACASA-N 2 0 214.353 1.472 20 0 BDADRP CCCCC[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313357860 259333598 /nfs/dbraw/zinc/33/35/98/259333598.db2.gz UIAXMBSBHMBPRN-NSHDSACASA-N 2 0 200.326 1.226 20 0 BDADRP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313350925 259334030 /nfs/dbraw/zinc/33/40/30/259334030.db2.gz LBYMDSPWBHLWAF-MCIONIFRSA-N 2 0 240.391 1.862 20 0 BDADRP CCc1noc(C)c1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351853560 136258085 /nfs/dbraw/zinc/25/80/85/136258085.db2.gz PBDDZJGHUDDIKJ-ONGXEEELSA-N 2 0 237.347 1.715 20 0 BDADRP O[C@@H](C[NH2+][C@H]1CCC(F)(F)C1)C[NH+]1CCCC1 ZINC000384017990 343018450 /nfs/dbraw/zinc/01/84/50/343018450.db2.gz PKPCMPVQAWNKRW-QWRGUYRKSA-N 2 0 248.317 1.221 20 0 BDADRP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000235305119 259343151 /nfs/dbraw/zinc/34/31/51/259343151.db2.gz ZBXQPPGVYJWPLM-YRGRVCCFSA-N 2 0 242.407 1.713 20 0 BDADRP C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000216559647 136264317 /nfs/dbraw/zinc/26/43/17/136264317.db2.gz QMPSTKWMPNGZNI-MGPQQGTHSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2C[NH3+])CO1 ZINC000402110735 349793072 /nfs/dbraw/zinc/79/30/72/349793072.db2.gz DCAZJHAMCIZGPJ-RHYQMDGZSA-N 2 0 212.337 1.271 20 0 BDADRP CCCC[N@H+](C)C[C@H](C)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000576838962 365702406 /nfs/dbraw/zinc/70/24/06/365702406.db2.gz XEQAKTCJDFIHGE-BFHYXJOUSA-N 2 0 241.423 1.966 20 0 BDADRP C(C[NH2+]C(C1CC1)C1CC1)C[NH2+]C1CC1 ZINC000049237972 343097061 /nfs/dbraw/zinc/09/70/61/343097061.db2.gz RTINNESFBVKIIX-UHFFFAOYSA-N 2 0 208.349 1.907 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H](C)[C@@H]2CCOC2)CC1 ZINC000130584079 343181738 /nfs/dbraw/zinc/18/17/38/343181738.db2.gz RACHDCIVBUFRGH-TZMCWYRMSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc2c(c1)CCO2 ZINC000131516454 343183856 /nfs/dbraw/zinc/18/38/56/343183856.db2.gz HUFLUVPXIPNYGN-FZMZJTMJSA-N 2 0 246.354 1.933 20 0 BDADRP C[C@H](C(=O)NCCCC[NH3+])[C@@H]([NH3+])c1ccccc1 ZINC000131715374 343184572 /nfs/dbraw/zinc/18/45/72/343184572.db2.gz WMJUDLLDUDTSIH-WCQYABFASA-N 2 0 249.358 1.178 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(C(N)=O)cc1 ZINC000124526177 343162597 /nfs/dbraw/zinc/16/25/97/343162597.db2.gz WXYQMFJHQZTXEE-MFKMUULPSA-N 2 0 247.342 1.097 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+]C1(C)CCOCC1 ZINC000229907371 136273880 /nfs/dbraw/zinc/27/38/80/136273880.db2.gz IYJVOMYLFCBZQW-NSHDSACASA-N 2 0 214.353 1.519 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H]2CCO[C@H]2C)CC1 ZINC000134052982 343186851 /nfs/dbraw/zinc/18/68/51/343186851.db2.gz GPVNBOGEFHLFAJ-AAEUAGOBSA-N 2 0 226.364 1.485 20 0 BDADRP Cc1c([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cnn1C ZINC000132173809 343187326 /nfs/dbraw/zinc/18/73/26/343187326.db2.gz JVXPBCXEVFZXBZ-PWSUYJOCSA-N 2 0 236.363 1.379 20 0 BDADRP C[N@@H+]1CCC[C@@H]2C[NH+](CC(C)(C)O)CC[C@H]21 ZINC000088091298 136284584 /nfs/dbraw/zinc/28/45/84/136284584.db2.gz GGQHODPQEGBCAE-VXGBXAGGSA-N 2 0 226.364 1.173 20 0 BDADRP C[C@@H]1CC[C@H](C[NH+]2CCC3(CC[NH2+]C3)CC2)O1 ZINC000634687883 343245484 /nfs/dbraw/zinc/24/54/84/343245484.db2.gz BUYSSSFYGCVBAK-CHWSQXEVSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)O1 ZINC000634688271 343246495 /nfs/dbraw/zinc/24/64/95/343246495.db2.gz NMJDQOAJACJEDG-MCIONIFRSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@@H]1CC[C@H](CN2C[C@H]3CCC[C@]3([NH3+])C2)O1 ZINC000634688068 343247166 /nfs/dbraw/zinc/24/71/66/343247166.db2.gz HEBOOCKBNCQPES-LPWJVIDDSA-N 2 0 224.348 1.367 20 0 BDADRP COCCC[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069626469 343286142 /nfs/dbraw/zinc/28/61/42/343286142.db2.gz PRSDEBFVJRMSHM-LLVKDONJSA-N 2 0 200.326 1.084 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000340083174 136286040 /nfs/dbraw/zinc/28/60/40/136286040.db2.gz QPBHMYJSIHFQSP-QJPTWQEYSA-N 2 0 241.379 1.138 20 0 BDADRP CC[C@@H](COC)[NH2+][C@H](C)CC[NH+](C)C ZINC000070624283 343335836 /nfs/dbraw/zinc/33/58/36/343335836.db2.gz MYWSWTSIDNRDTR-MNOVXSKESA-N 2 0 202.342 1.341 20 0 BDADRP CC[C@H](COC)[NH2+][C@@H](C)CC[NH+](C)C ZINC000070624282 343335934 /nfs/dbraw/zinc/33/59/34/343335934.db2.gz MYWSWTSIDNRDTR-WDEREUQCSA-N 2 0 202.342 1.341 20 0 BDADRP CC[C@H](COC)[NH2+]CCC[NH+]1CCCC1 ZINC000070623738 343335938 /nfs/dbraw/zinc/33/59/38/343335938.db2.gz NIFIIQYGBCCLKW-GFCCVEGCSA-N 2 0 214.353 1.487 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC000166217750 136309945 /nfs/dbraw/zinc/30/99/45/136309945.db2.gz BVLRQCZWGMHSIS-JQWIXIFHSA-N 2 0 212.337 1.082 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CCOCC12CCC2 ZINC000335689317 136324362 /nfs/dbraw/zinc/32/43/62/136324362.db2.gz SUURMIJCNHSUSW-UHFFFAOYSA-N 2 0 224.348 1.241 20 0 BDADRP C[NH+](C)C1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000335691337 136325425 /nfs/dbraw/zinc/32/54/25/136325425.db2.gz CRWXSCOTYYOBEN-GFCCVEGCSA-N 2 0 226.364 1.439 20 0 BDADRP C[C@@H]1C[C@H]1C[N@H+](C)CCCn1ccnc1 ZINC000349423415 136346002 /nfs/dbraw/zinc/34/60/02/136346002.db2.gz XGCBTJUGGUPFEY-NEPJUHHUSA-N 2 0 207.321 1.861 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1CCC12CCOCC2 ZINC000367084766 136333006 /nfs/dbraw/zinc/33/30/06/136333006.db2.gz CCYIIQZODCFVRN-QWHCGFSZSA-N 2 0 240.391 1.875 20 0 BDADRP COCCC[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000082601494 343454397 /nfs/dbraw/zinc/45/43/97/343454397.db2.gz YTYARQKSETUOKI-NSHDSACASA-N 2 0 200.326 1.226 20 0 BDADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C2CSC2)C1 ZINC000390001023 537787504 /nfs/dbraw/zinc/78/75/04/537787504.db2.gz SVBBJVJHHZIFEZ-NSHDSACASA-N 2 0 228.405 1.812 20 0 BDADRP COC[C@H]([NH2+]CCC[NH+](C)C)C(C)C ZINC000087477405 343649918 /nfs/dbraw/zinc/64/99/18/343649918.db2.gz SKUMWDOXUQEMIT-NSHDSACASA-N 2 0 202.342 1.199 20 0 BDADRP C[NH2+][C@H](C)Cc1noc([C@H](C(C)C)[C@H](C)[NH3+])n1 ZINC000584171827 343768706 /nfs/dbraw/zinc/76/87/06/343768706.db2.gz HHGCTLCYGIPYGQ-WCABBAIRSA-N 2 0 240.351 1.307 20 0 BDADRP C[NH2+][C@H](C)Cc1noc([C@@H](C(C)C)[C@H](C)[NH3+])n1 ZINC000584171828 343768837 /nfs/dbraw/zinc/76/88/37/343768837.db2.gz HHGCTLCYGIPYGQ-YWVKMMECSA-N 2 0 240.351 1.307 20 0 BDADRP C=Cc1ccc(CN2CC[C@H]([NH3+])C2)cc1 ZINC000238686838 343796311 /nfs/dbraw/zinc/79/63/11/343796311.db2.gz NIJIQELADCZHKO-ZDUSSCGKSA-N 2 0 202.301 1.863 20 0 BDADRP Cc1cc(N[C@H](C)C2CC[NH+](C)CC2)cc[nH+]1 ZINC000396462006 347017709 /nfs/dbraw/zinc/01/77/09/347017709.db2.gz JKNWLFFBJOZLEW-GFCCVEGCSA-N 2 0 233.359 1.954 20 0 BDADRP CCC[NH+](CCC)C[C@](C)(O)C[NH2+]C ZINC000569346935 343972534 /nfs/dbraw/zinc/97/25/34/343972534.db2.gz HCVCUCQCIXSRIQ-LLVKDONJSA-N 2 0 202.342 1.079 20 0 BDADRP CCC[C@@H]([NH3+])c1cn(CC2CC[NH2+]CC2)nn1 ZINC000641232317 362287880 /nfs/dbraw/zinc/28/78/80/362287880.db2.gz BTOWLNXTOTXKQX-LLVKDONJSA-N 2 0 237.351 1.078 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H](C)OC)C1 ZINC000252714954 534958828 /nfs/dbraw/zinc/95/88/28/534958828.db2.gz UEARPKZPHJVKFD-RWMBFGLXSA-N 2 0 228.380 1.731 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H]2CCCOCC2)C1 ZINC000634733674 344113747 /nfs/dbraw/zinc/11/37/47/344113747.db2.gz KXYPYDSYXXIGAO-CHWSQXEVSA-N 2 0 240.391 1.923 20 0 BDADRP CC(C)(C)[NH2+]CCN[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634733699 344113963 /nfs/dbraw/zinc/11/39/63/344113963.db2.gz LLZKFIKRQZRBOB-YPMHNXCESA-N 2 0 225.380 1.106 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634734010 344114605 /nfs/dbraw/zinc/11/46/05/344114605.db2.gz UPPWQAYHCBUJBB-UPJWGTAASA-N 2 0 225.380 1.092 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H](N[C@H]2CCC[NH2+]C2)C1 ZINC000634734194 344114678 /nfs/dbraw/zinc/11/46/78/344114678.db2.gz ZGVGYOQKENMUQX-NEPJUHHUSA-N 2 0 225.380 1.106 20 0 BDADRP COC[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130248866 344219822 /nfs/dbraw/zinc/21/98/22/344219822.db2.gz PRJKEOUJVZLPTB-SDDRHHMPSA-N 2 0 212.337 1.238 20 0 BDADRP Cc1cnccc1CN1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000384907146 344221782 /nfs/dbraw/zinc/22/17/82/344221782.db2.gz ATDHHHPTJKENCS-FZMZJTMJSA-N 2 0 233.359 1.949 20 0 BDADRP Cc1cnccc1CN1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000384907144 344221920 /nfs/dbraw/zinc/22/19/20/344221920.db2.gz ATDHHHPTJKENCS-BXUZGUMPSA-N 2 0 233.359 1.949 20 0 BDADRP C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000306572185 344278567 /nfs/dbraw/zinc/27/85/67/344278567.db2.gz HOKXRASAFOIQSB-DBIOUOCHSA-N 2 0 214.378 1.597 20 0 BDADRP C[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)C[NH+]1CCCC1 ZINC000093216023 344312740 /nfs/dbraw/zinc/31/27/40/344312740.db2.gz FLWDBVYMNUMRIK-HZSPNIEDSA-N 2 0 239.407 1.578 20 0 BDADRP [NH3+]CCCOC1CC[NH+](Cc2ccno2)CC1 ZINC000094072865 344325572 /nfs/dbraw/zinc/32/55/72/344325572.db2.gz KMGROQQOSKVWRT-UHFFFAOYSA-N 2 0 239.319 1.004 20 0 BDADRP CC(C)[NH2+]CCCNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000131814842 344334144 /nfs/dbraw/zinc/33/41/44/344334144.db2.gz AGAGWZOEOHMDQN-CYBMUJFWSA-N 2 0 249.358 1.191 20 0 BDADRP Cc1cc(N[C@H]2CC[C@H]([NH3+])CC2)nc(C2CC2)n1 ZINC000634813665 344398996 /nfs/dbraw/zinc/39/89/96/344398996.db2.gz SZRHFIYSWHBLSN-HAQNSBGRSA-N 2 0 246.358 1.766 20 0 BDADRP CCC[C@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000036999117 344484955 /nfs/dbraw/zinc/48/49/55/344484955.db2.gz FVKSRTGKUPTNGI-NEPJUHHUSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@H]1C[C@@H](Nc2cc(CO)ccn2)CC[N@@H+]1C ZINC000641396032 362394504 /nfs/dbraw/zinc/39/45/04/362394504.db2.gz ICPIIZGQQSQNEF-JQWIXIFHSA-N 2 0 235.331 1.469 20 0 BDADRP CC(C)OC[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000381312339 344494871 /nfs/dbraw/zinc/49/48/71/344494871.db2.gz LXQJQXWPKQWJMG-QWHCGFSZSA-N 2 0 228.380 1.731 20 0 BDADRP CC(C)OC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000381312322 344495131 /nfs/dbraw/zinc/49/51/31/344495131.db2.gz LXQJQXWPKQWJMG-CHWSQXEVSA-N 2 0 228.380 1.731 20 0 BDADRP COC(=O)C(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000158242508 344569901 /nfs/dbraw/zinc/56/99/01/344569901.db2.gz WDUPICAVDWSCGT-WDEREUQCSA-N 2 0 242.363 1.258 20 0 BDADRP COC(=O)C(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000158242364 344571928 /nfs/dbraw/zinc/57/19/28/344571928.db2.gz WDUPICAVDWSCGT-GHMZBOCLSA-N 2 0 242.363 1.258 20 0 BDADRP C[C@@H](c1cnccn1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000573846358 344533553 /nfs/dbraw/zinc/53/35/53/344533553.db2.gz CSADDJWZJIJODE-JSGCOSHPSA-N 2 0 246.358 1.613 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000388723289 347057215 /nfs/dbraw/zinc/05/72/15/347057215.db2.gz AVMXVTPAIPPHJI-JHJVBQTASA-N 2 0 228.380 1.909 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCC[C@H]1CSC ZINC000399985259 344747078 /nfs/dbraw/zinc/74/70/78/344747078.db2.gz BJJQRHCRPFSSMG-JTQLQIEISA-N 2 0 202.367 1.423 20 0 BDADRP COCCCC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386604856 344941269 /nfs/dbraw/zinc/94/12/69/344941269.db2.gz VOYMHULCXJDBPU-RYUDHWBXSA-N 2 0 214.353 1.533 20 0 BDADRP CC[C@@H](C)[C@H](C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000154908882 345056852 /nfs/dbraw/zinc/05/68/52/345056852.db2.gz UBYXUGSHJIUPNN-RDBSUJKOSA-N 2 0 241.423 1.647 20 0 BDADRP C[NH2+]Cc1ccc(NCC23CC(C2)C[NH2+]3)cc1 ZINC000634995860 345186169 /nfs/dbraw/zinc/18/61/69/345186169.db2.gz RCJQPUQYIHPBRY-UHFFFAOYSA-N 2 0 231.343 1.570 20 0 BDADRP C[NH2+]Cc1cccc(NCC23CC(C2)C[NH2+]3)c1 ZINC000634996071 345186920 /nfs/dbraw/zinc/18/69/20/345186920.db2.gz YPEDQVRUDXVPOC-UHFFFAOYSA-N 2 0 231.343 1.570 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCCC[NH+](C)C)CC[N@@H+]1C ZINC000156172342 345131545 /nfs/dbraw/zinc/13/15/45/345131545.db2.gz SGWHYFWEQYNJHH-CHWSQXEVSA-N 3 0 227.396 1.401 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)CC[N@@H+]1C ZINC000156172698 345131924 /nfs/dbraw/zinc/13/19/24/345131924.db2.gz SGWHYFWEQYNJHH-STQMWFEESA-N 3 0 227.396 1.401 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156155174 345133948 /nfs/dbraw/zinc/13/39/48/345133948.db2.gz ZCPWBDBCAZWYII-HZSPNIEDSA-N 2 0 240.391 1.611 20 0 BDADRP Cc1nccn1CC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156204108 345136294 /nfs/dbraw/zinc/13/62/94/345136294.db2.gz RBNTUYMZLJMOLR-DGCLKSJQSA-N 2 0 236.363 1.264 20 0 BDADRP CN(CCOCC1CC1)CC12CC(C1)C[NH2+]2 ZINC000634992818 345187865 /nfs/dbraw/zinc/18/78/65/345187865.db2.gz BNNSAWLDNBTYIH-UHFFFAOYSA-N 2 0 224.348 1.097 20 0 BDADRP COc1cccc(CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000156269295 345143614 /nfs/dbraw/zinc/14/36/14/345143614.db2.gz IZWDYNJJDSKHRB-NWDGAFQWSA-N 2 0 249.358 1.663 20 0 BDADRP CO[C@@H]1CN(CC23CC(C2)C[NH2+]3)CC[C@H]1C ZINC000634993825 345191963 /nfs/dbraw/zinc/19/19/63/345191963.db2.gz HLRPRWYXPGDLMQ-CQLXCSJHSA-N 2 0 224.348 1.095 20 0 BDADRP CC(C)[C@H](C[NH3+])CN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634997144 345193917 /nfs/dbraw/zinc/19/39/17/345193917.db2.gz DXVGHKZBRYWQGF-MCIONIFRSA-N 2 0 239.407 1.149 20 0 BDADRP C[C@]1(CN2CCCCC[C@@H]([NH3+])C2)CC[NH2+]C1 ZINC000634997806 345196189 /nfs/dbraw/zinc/19/61/89/345196189.db2.gz SZFXNGSFGKKBPB-OLZOCXBDSA-N 2 0 225.380 1.189 20 0 BDADRP C[C@@H](C[NH2+]CC12CC(C1)C[NH2+]2)c1ccncc1 ZINC000634997558 345196193 /nfs/dbraw/zinc/19/61/93/345196193.db2.gz NXCGCFTZUTYDCG-DCBWTQNWSA-N 2 0 231.343 1.527 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CC[NH2+]C2)[C@H](C)O1 ZINC000635001720 345202031 /nfs/dbraw/zinc/20/20/31/345202031.db2.gz ZBLWCPGKDKVUOH-RHYQMDGZSA-N 2 0 212.337 1.142 20 0 BDADRP C[C@@H]1CN(C)C[C@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635004778 345208279 /nfs/dbraw/zinc/20/82/79/345208279.db2.gz FJCHVZOQROEJOS-FDYHWXHSSA-N 2 0 225.380 1.044 20 0 BDADRP CC(C)(F)C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000635004859 345208353 /nfs/dbraw/zinc/20/83/53/345208353.db2.gz QNAAEGQXRQOAIP-QJPTWQEYSA-N 2 0 244.354 1.481 20 0 BDADRP CC(C)(F)C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000635004857 345208658 /nfs/dbraw/zinc/20/86/58/345208658.db2.gz QNAAEGQXRQOAIP-GRYCIOLGSA-N 2 0 244.354 1.481 20 0 BDADRP COC[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)C(C)C ZINC000635005275 345209141 /nfs/dbraw/zinc/20/91/41/345209141.db2.gz IUEFGUBVJUOOBP-AVGNSLFASA-N 2 0 228.380 1.765 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1nccn1C ZINC000635006371 345210640 /nfs/dbraw/zinc/21/06/40/345210640.db2.gz MISOWYLQNAVVQT-IJLUTSLNSA-N 2 0 236.363 1.588 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1cn[nH]c1 ZINC000635010021 345211816 /nfs/dbraw/zinc/21/18/16/345211816.db2.gz IQTHBQHCCVKQNG-PWSUYJOCSA-N 2 0 236.363 1.839 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1cnccc1N ZINC000635007734 345214927 /nfs/dbraw/zinc/21/49/27/345214927.db2.gz XNOCSLDUKSXTQT-SRVKXCTJSA-N 3 0 248.374 1.662 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@@H](C[NH3+])CC1 ZINC000635007837 345215225 /nfs/dbraw/zinc/21/52/25/345215225.db2.gz XYHMLTLJQPHBRA-FDYHWXHSSA-N 2 0 225.380 1.221 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635008431 345216160 /nfs/dbraw/zinc/21/61/60/345216160.db2.gz UFMRDWNOASOIII-SRVKXCTJSA-N 2 0 227.396 1.480 20 0 BDADRP C[C@@H]1CCC[C@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000088728189 345544588 /nfs/dbraw/zinc/54/45/88/345544588.db2.gz BVPZRXMSXOFEBP-VXGBXAGGSA-N 2 0 226.364 1.221 20 0 BDADRP CC[NH+]1CCC(C[NH2+]Cc2ccncc2N)CC1 ZINC000641716876 362628885 /nfs/dbraw/zinc/62/88/85/362628885.db2.gz SZASJSGXMCIWOD-UHFFFAOYSA-N 2 0 248.374 1.485 20 0 BDADRP CC[NH+](CC)CCC[N@H+](C)[C@H](C)CO ZINC000230842480 345751836 /nfs/dbraw/zinc/75/18/36/345751836.db2.gz ISCPARBNSHSZDP-LLVKDONJSA-N 2 0 202.342 1.031 20 0 BDADRP C(=C\c1ccccc1)\C[NH2+]CCN1CC[NH2+]CC1 ZINC000208092176 345735099 /nfs/dbraw/zinc/73/50/99/345735099.db2.gz CPEAAQVJJKPIEJ-DAXSKMNVSA-N 2 0 245.370 1.195 20 0 BDADRP Cc1cc(N2CC[C@@H]3C[NH2+]C[C@@H]32)nc(C(C)C)n1 ZINC000209510719 345736405 /nfs/dbraw/zinc/73/64/05/345736405.db2.gz BEEMJNRXOVOTIB-NEPJUHHUSA-N 2 0 246.358 1.707 20 0 BDADRP CSCCN1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000070585492 345788596 /nfs/dbraw/zinc/78/85/96/345788596.db2.gz QCDQPRRQOWFPBV-LLVKDONJSA-N 2 0 216.394 1.812 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC1C[NH2+]C1 ZINC000307654539 345878223 /nfs/dbraw/zinc/87/82/23/345878223.db2.gz MRZMLAYKNHIFNP-SWLSCSKDSA-N 2 0 245.370 1.068 20 0 BDADRP C[C@H](c1ccccc1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000252453382 345964969 /nfs/dbraw/zinc/96/49/69/345964969.db2.gz IKADZZUFCZJQOE-XBFCOCLRSA-N 2 0 216.328 1.899 20 0 BDADRP CC1(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000380306249 346024489 /nfs/dbraw/zinc/02/44/89/346024489.db2.gz FQYMYRFWFVXBNJ-LLVKDONJSA-N 2 0 208.349 1.860 20 0 BDADRP C([NH2+][C@H]1CCCOC1)C1CC[NH+](C2CC2)CC1 ZINC000446889770 537933731 /nfs/dbraw/zinc/93/37/31/537933731.db2.gz CEYIESOFBUUTOK-ZDUSSCGKSA-N 2 0 238.375 1.629 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)[C@@H](C)[NH+](C)C ZINC000635948056 346120142 /nfs/dbraw/zinc/12/01/42/346120142.db2.gz QCOHQVVKDPGAHE-NWDGAFQWSA-N 2 0 243.395 1.173 20 0 BDADRP COCC[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000447376923 537953162 /nfs/dbraw/zinc/95/31/62/537953162.db2.gz VKZCXTBLOJKKDM-LBPRGKRZSA-N 2 0 228.380 1.685 20 0 BDADRP CC(C)OC(=O)CC[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000603432991 349953885 /nfs/dbraw/zinc/95/38/85/349953885.db2.gz LTUMDQMXBCAICY-NXEZZACHSA-N 2 0 228.336 1.044 20 0 BDADRP CC[NH+](CC)CC[C@H](CO)[NH2+]CC(C)(C)C ZINC000641770994 362708966 /nfs/dbraw/zinc/70/89/66/362708966.db2.gz BCQXQEOZFLTTCX-GFCCVEGCSA-N 2 0 230.396 1.715 20 0 BDADRP Cc1cccc(CCC[NH2+][C@H]2CN(C)C[C@H]2C)n1 ZINC000352912899 179055825 /nfs/dbraw/zinc/05/58/25/179055825.db2.gz FWCHPUBFELSNEK-DOMZBBRYSA-N 2 0 247.386 1.862 20 0 BDADRP CCC[NH2+][C@H](C)c1nc(C[C@@H](C)[NH2+]C)no1 ZINC000575058548 346465930 /nfs/dbraw/zinc/46/59/30/346465930.db2.gz HSUMHKBGNOPCBL-RKDXNWHRSA-N 2 0 226.324 1.281 20 0 BDADRP Cc1noc(CCC[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)n1 ZINC000641800240 362749737 /nfs/dbraw/zinc/74/97/37/362749737.db2.gz AEUAEVUVXUXKEB-NXEZZACHSA-N 2 0 238.335 1.026 20 0 BDADRP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)[C@H](C)O ZINC000580829354 346473431 /nfs/dbraw/zinc/47/34/31/346473431.db2.gz AEOUIGPDYCSBTA-NEPJUHHUSA-N 2 0 228.380 1.467 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000641804299 362761638 /nfs/dbraw/zinc/76/16/38/362761638.db2.gz YAIIFWLYRXEFST-IJLUTSLNSA-N 3 0 225.380 1.092 20 0 BDADRP CCCCOCC[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000053034279 346509749 /nfs/dbraw/zinc/50/97/49/346509749.db2.gz HYFCTQWNMWLAGB-LBPRGKRZSA-N 2 0 214.353 1.344 20 0 BDADRP COCC1(CC[NH2+]C2CCC(C[NH3+])CC2)CC1 ZINC000580075448 346513385 /nfs/dbraw/zinc/51/33/85/346513385.db2.gz OAINOPQQTHWFPD-UHFFFAOYSA-N 2 0 240.391 1.910 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@@H](F)C1)C1C[NH2+]C1 ZINC000580075686 346513524 /nfs/dbraw/zinc/51/35/24/346513524.db2.gz QCQHKFJBBANRHZ-GDPRMGEGSA-N 2 0 200.301 1.465 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@H](F)C1)C1C[NH2+]C1 ZINC000580075689 346513560 /nfs/dbraw/zinc/51/35/60/346513560.db2.gz QCQHKFJBBANRHZ-LSJOCFKGSA-N 2 0 200.301 1.465 20 0 BDADRP Cc1cc(C)n(CC[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)n1 ZINC000641800805 362753192 /nfs/dbraw/zinc/75/31/92/362753192.db2.gz GFPMJTOBFQAHOM-VXGBXAGGSA-N 2 0 236.363 1.215 20 0 BDADRP CCn1cc(CC[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)cn1 ZINC000641801316 362754767 /nfs/dbraw/zinc/75/47/67/362754767.db2.gz PQZVGLVRMRXJMZ-NWDGAFQWSA-N 2 0 236.363 1.161 20 0 BDADRP CCSCCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000300858939 346520988 /nfs/dbraw/zinc/52/09/88/346520988.db2.gz CERLAZDXUFFXDO-GHMZBOCLSA-N 2 0 216.394 1.989 20 0 BDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCCc1ccncc1 ZINC000641802271 362758075 /nfs/dbraw/zinc/75/80/75/362758075.db2.gz IRAUQADCRUAQMP-STQMWFEESA-N 2 0 233.359 1.730 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCCC1CC[NH2+]CC1 ZINC000641802003 362758673 /nfs/dbraw/zinc/75/86/73/362758673.db2.gz XNWSHNRESAULLC-CHWSQXEVSA-N 3 0 239.407 1.482 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1cccc(N)c1 ZINC000641802780 362759864 /nfs/dbraw/zinc/75/98/64/362759864.db2.gz OUGRQEDZDLZSBN-NEPJUHHUSA-N 2 0 219.332 1.484 20 0 BDADRP C[C@@H]1CC[C@H](CN)[N@H+](CC[C@@H]2CC[NH2+]C2)[C@H]1C ZINC000641804067 362761087 /nfs/dbraw/zinc/76/10/87/362761087.db2.gz AJMNCJYMPIUZOI-ZOBORPQBSA-N 2 0 239.407 1.434 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)C(C)C ZINC000381657753 346591722 /nfs/dbraw/zinc/59/17/22/346591722.db2.gz DBWYAQWWGZJMIG-IJLUTSLNSA-N 2 0 214.353 1.517 20 0 BDADRP CC(C)[NH2+]CCC[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000158608369 346615506 /nfs/dbraw/zinc/61/55/06/346615506.db2.gz ZSPCZZUQFOZIQG-NWDGAFQWSA-N 2 0 214.353 1.389 20 0 BDADRP CCC[NH+]1CCC(C[NH2+]C[C@@H](C)COC)CC1 ZINC000187861431 346633738 /nfs/dbraw/zinc/63/37/38/346633738.db2.gz JCJFUGCGTLBMFK-CYBMUJFWSA-N 2 0 242.407 1.981 20 0 BDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000580715595 346678071 /nfs/dbraw/zinc/67/80/71/346678071.db2.gz LJXPUBMQUWJJNJ-GARJFASQSA-N 2 0 243.395 1.253 20 0 BDADRP COC[C@H](C)C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000188067468 346730875 /nfs/dbraw/zinc/73/08/75/346730875.db2.gz OCZXDXDMYYNSIC-AGIUHOORSA-N 2 0 228.380 1.731 20 0 BDADRP COC[C@H](C)C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000188067416 346730943 /nfs/dbraw/zinc/73/09/43/346730943.db2.gz OCZXDXDMYYNSIC-UPJWGTAASA-N 2 0 228.380 1.731 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+]CC2(O)CCCC2)C1 ZINC000577172233 365854439 /nfs/dbraw/zinc/85/44/39/365854439.db2.gz MRJWIJGTMPUYKG-CYBMUJFWSA-N 2 0 240.391 1.613 20 0 BDADRP Cc1ccncc1CN1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622004688 370655390 /nfs/dbraw/zinc/65/53/90/370655390.db2.gz SKUBKMSNGRGGIB-UONOGXRCSA-N 2 0 231.343 1.703 20 0 BDADRP COC[C@H](C)C[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622004612 370655463 /nfs/dbraw/zinc/65/54/63/370655463.db2.gz RERXJAPZHUGGHO-UTUOFQBUSA-N 2 0 212.337 1.082 20 0 BDADRP COCC(C)(C)C[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622005078 370655572 /nfs/dbraw/zinc/65/55/72/370655572.db2.gz YIMYEPSBENNWBS-AAEUAGOBSA-N 2 0 226.364 1.472 20 0 BDADRP [NH3+][C@]12CCC[C@H]1C[N@H+](C[C@@H]1CCSC1)C2 ZINC000622004896 370655595 /nfs/dbraw/zinc/65/55/95/370655595.db2.gz WEEJOJWXRHUDEU-SRVKXCTJSA-N 2 0 226.389 1.553 20 0 BDADRP Cc1ccncc1CN1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622004689 370655644 /nfs/dbraw/zinc/65/56/44/370655644.db2.gz SKUBKMSNGRGGIB-ZIAGYGMSSA-N 2 0 231.343 1.703 20 0 BDADRP C[NH2+]CCCN1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000582063416 347157472 /nfs/dbraw/zinc/15/74/72/347157472.db2.gz FMFVBIPQTJPDIZ-OLZOCXBDSA-N 2 0 225.380 1.202 20 0 BDADRP Cc1cccc([C@@H](C)[NH2+]C[C@]2(O)CCN(C)C2)c1 ZINC000358251464 179183482 /nfs/dbraw/zinc/18/34/82/179183482.db2.gz MFVSTBRKOUDHMQ-UKRRQHHQSA-N 2 0 248.370 1.712 20 0 BDADRP COC(=O)CCCC[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000601326799 347210120 /nfs/dbraw/zinc/21/01/20/347210120.db2.gz PVCQKLRRGXVBFS-LBPRGKRZSA-N 2 0 242.363 1.533 20 0 BDADRP CCCCOCC[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000309826753 347177520 /nfs/dbraw/zinc/17/75/20/347177520.db2.gz XMBHTQDCLRTWJK-GFCCVEGCSA-N 2 0 214.353 1.520 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)[C@H]1CCOC1 ZINC000253114234 133653185 /nfs/dbraw/zinc/65/31/85/133653185.db2.gz FCWILICEEIRSOR-XUXIUFHCSA-N 2 0 240.391 1.766 20 0 BDADRP CCOC(=O)CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601333185 347225334 /nfs/dbraw/zinc/22/53/34/347225334.db2.gz CCNZNHYPWJPLMW-NWDGAFQWSA-N 2 0 240.347 1.014 20 0 BDADRP CCN1CCC[C@@H]1C[NH2+][C@H]1CS[C@H](C)C1 ZINC000250364789 362801085 /nfs/dbraw/zinc/80/10/85/362801085.db2.gz UPFNHIMQLBKCDW-IJLUTSLNSA-N 2 0 228.405 1.954 20 0 BDADRP Cc1nc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)oc1C ZINC000310856522 347312567 /nfs/dbraw/zinc/31/25/67/347312567.db2.gz NAYWPBDLHQMAEG-BETUJISGSA-N 2 0 249.358 1.723 20 0 BDADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC000082366159 347361361 /nfs/dbraw/zinc/36/13/61/347361361.db2.gz MZGSSKDKZXXLQK-ZDUSSCGKSA-N 2 0 219.332 1.785 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)O1 ZINC000149795094 347521518 /nfs/dbraw/zinc/52/15/18/347521518.db2.gz HJFQXFQBAMJLED-WHOHXGKFSA-N 2 0 212.337 1.223 20 0 BDADRP COC(=O)C(C)(C)[C@@H]1CCC[N@H+](CCC[NH3+])C1 ZINC000591272376 347636583 /nfs/dbraw/zinc/63/65/83/347636583.db2.gz FTUUJEJHRDRZNB-LLVKDONJSA-N 2 0 242.363 1.246 20 0 BDADRP C1=C(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)COCC1 ZINC000176828681 365908612 /nfs/dbraw/zinc/90/86/12/365908612.db2.gz NEQBUNGWYHEYRY-LBPRGKRZSA-N 2 0 236.359 1.407 20 0 BDADRP CSCC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000591567785 347670774 /nfs/dbraw/zinc/67/07/74/347670774.db2.gz DHUFAXFAJHJDDJ-VHSXEESVSA-N 2 0 202.367 1.327 20 0 BDADRP CC[C@@H]([NH2+]CCSC)[C@@H]1CCC[NH2+]1 ZINC000591567780 347670899 /nfs/dbraw/zinc/67/08/99/347670899.db2.gz CDWPQLPYVLQFIQ-ZJUUUORDSA-N 2 0 202.367 1.470 20 0 BDADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NCCC[NH+](C)C ZINC000083381536 179324623 /nfs/dbraw/zinc/32/46/23/179324623.db2.gz HPAJTLZCJPWDFQ-CYBMUJFWSA-N 2 0 249.358 1.063 20 0 BDADRP Cc1cccnc1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000228358073 179373015 /nfs/dbraw/zinc/37/30/15/179373015.db2.gz FQJFFGJVACAOKI-QWHCGFSZSA-N 2 0 233.359 1.949 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)O1 ZINC000397477218 362888048 /nfs/dbraw/zinc/88/80/48/362888048.db2.gz IEYINBGWWCEONU-PDWCTOEPSA-N 2 0 240.391 1.859 20 0 BDADRP C[C@@H]1CC[C@@H](C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)O1 ZINC000251622233 362891740 /nfs/dbraw/zinc/89/17/40/362891740.db2.gz DLLWRGKRARTPHQ-YIPFDTCYSA-N 2 0 238.375 1.769 20 0 BDADRP CCC[N@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000669381995 538002350 /nfs/dbraw/zinc/00/23/50/538002350.db2.gz CWZOHZYLUMYOSC-VXGBXAGGSA-N 2 0 212.337 1.097 20 0 BDADRP COC[C@@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)OC ZINC000623488013 362911333 /nfs/dbraw/zinc/91/13/33/362911333.db2.gz DRSOOGCEJVNYBN-VXGBXAGGSA-N 2 0 244.379 1.110 20 0 BDADRP COC[C@@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)OC ZINC000623488011 362911493 /nfs/dbraw/zinc/91/14/93/362911493.db2.gz DRSOOGCEJVNYBN-NWDGAFQWSA-N 2 0 244.379 1.110 20 0 BDADRP CCOC[C@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623496854 362920572 /nfs/dbraw/zinc/92/05/72/362920572.db2.gz NJQVJLCYKATMGS-RYUDHWBXSA-N 2 0 228.380 1.874 20 0 BDADRP CO[C@@H](C)[C@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623504348 362928797 /nfs/dbraw/zinc/92/87/97/362928797.db2.gz KLBUXXFZUJCILP-SRVKXCTJSA-N 2 0 228.380 1.872 20 0 BDADRP COC(=O)C(C)(C)CC[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000596100699 348445662 /nfs/dbraw/zinc/44/56/62/348445662.db2.gz AKJLZGFMHVJTDO-LLVKDONJSA-N 2 0 244.379 1.539 20 0 BDADRP C[C@@H](C[NH2+][C@H]1CCCOC1)C[NH+]1CCCCC1 ZINC000070464856 490215644 /nfs/dbraw/zinc/21/56/44/490215644.db2.gz XCOFYJDWYKDMKI-KBPBESRZSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@H](CCC[NH3+])NC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000449573909 201972425 /nfs/dbraw/zinc/97/24/25/201972425.db2.gz UJBSCOLHGKNXNF-MDZLAQPJSA-N 2 0 241.379 1.138 20 0 BDADRP COC1([C@H](C)[NH2+]CCC[NH+](C)C)CCCC1 ZINC000421796964 192383578 /nfs/dbraw/zinc/38/35/78/192383578.db2.gz AEJRRTWHTIJDAY-LBPRGKRZSA-N 2 0 228.380 1.875 20 0 BDADRP C[NH+](C)CCC[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421799120 192384463 /nfs/dbraw/zinc/38/44/63/192384463.db2.gz CZPADIVEHLLOJF-CQSZACIVSA-N 2 0 247.386 1.870 20 0 BDADRP Cc1csc(C[NH2+]CC2CC[NH+](C)CC2)n1 ZINC000054243375 179776852 /nfs/dbraw/zinc/77/68/52/179776852.db2.gz XENZYKCIFADPGI-UHFFFAOYSA-N 2 0 239.388 1.883 20 0 BDADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1CC=CC1 ZINC000530218276 323217551 /nfs/dbraw/zinc/21/75/51/323217551.db2.gz VUUZNUJTXJUGLP-UHTWSYAYSA-N 2 0 224.348 1.295 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC[C@H]2CCCO2)C1 ZINC000252768814 349213554 /nfs/dbraw/zinc/21/35/54/349213554.db2.gz HFNDQTUVSPPCSD-QJPTWQEYSA-N 2 0 212.337 1.225 20 0 BDADRP CC[C@H](CCO)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000253027230 349226388 /nfs/dbraw/zinc/22/63/88/349226388.db2.gz ODYBMLJLZUEXEM-AXFHLTTASA-N 2 0 200.326 1.007 20 0 BDADRP CCN(C)C[C@H](O)C[N@@H+]1CCC(C)(C)C1 ZINC000309020168 349305536 /nfs/dbraw/zinc/30/55/36/349305536.db2.gz UCIBYDMBKMJMBO-NSHDSACASA-N 2 0 214.353 1.031 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CCC2(CC[NH2+]2)CC1 ZINC000422559421 192428135 /nfs/dbraw/zinc/42/81/35/192428135.db2.gz CTXFMHLUVZYTAI-LBPRGKRZSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C(=O)NCC(C)(C)[NH3+])cc1 ZINC000563103342 350057082 /nfs/dbraw/zinc/05/70/82/350057082.db2.gz HTKJDHDWWPYPPV-SECBINFHSA-N 2 0 235.331 1.173 20 0 BDADRP Cc1ncsc1CN1CC[C@H]([NH3+])C[C@@H]1C ZINC000070837101 350067817 /nfs/dbraw/zinc/06/78/17/350067817.db2.gz DFKKZGFUPXDPTR-WPRPVWTQSA-N 2 0 225.361 1.763 20 0 BDADRP CCCCOCCN(C)[C@@H]1CC[NH2+]C1 ZINC000070896548 350070812 /nfs/dbraw/zinc/07/08/12/350070812.db2.gz RGYUHSKPJXFQPU-LLVKDONJSA-N 2 0 200.326 1.097 20 0 BDADRP COC[C@H]([NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)C(C)C ZINC000132018804 191023472 /nfs/dbraw/zinc/02/34/72/191023472.db2.gz RNRDQQOJGQGWJS-SCRDCRAPSA-N 2 0 240.391 1.872 20 0 BDADRP CCOC[C@H](C)[NH2+]C[C@H]1CC[N@H+](CC)C1 ZINC000132427680 191033410 /nfs/dbraw/zinc/03/34/10/191033410.db2.gz MTHINVHAJPAYTJ-NWDGAFQWSA-N 2 0 214.353 1.343 20 0 BDADRP CC[C@H](C)[C@@H](O)C[NH2+][C@H](C)CCC[NH3+] ZINC000422713702 192439653 /nfs/dbraw/zinc/43/96/53/192439653.db2.gz PZCOUILUXKNLPL-AXFHLTTASA-N 2 0 202.342 1.110 20 0 BDADRP C[C@H]([NH2+]CCC[NH+]1CCCC1)[C@@H]1CCOC1 ZINC000132248371 191028625 /nfs/dbraw/zinc/02/86/25/191028625.db2.gz YBMINTWUQYJWDN-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCO2)CC[N@@H+]1C ZINC000132836230 191035760 /nfs/dbraw/zinc/03/57/60/191035760.db2.gz LOOBJBFPGJOIDU-AGIUHOORSA-N 2 0 226.364 1.628 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH2+]C(CC)(CC)CC ZINC000309199258 350168047 /nfs/dbraw/zinc/16/80/47/350168047.db2.gz BDEZUFMQTRZZPD-GFCCVEGCSA-N 2 0 230.396 1.857 20 0 BDADRP C1CSC[C@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC000220667108 350181579 /nfs/dbraw/zinc/18/15/79/350181579.db2.gz VAUKLAKFXANNHJ-SNVBAGLBSA-N 2 0 200.351 1.224 20 0 BDADRP Cc1ncc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)s1 ZINC000228076499 180146670 /nfs/dbraw/zinc/14/66/70/180146670.db2.gz CSDMFMUZWMTKSO-SCZZXKLOSA-N 2 0 225.361 1.621 20 0 BDADRP Cn1cncc1CCC[N@H+](C)CC1CC(O)C1 ZINC000315136566 350189306 /nfs/dbraw/zinc/18/93/06/350189306.db2.gz VJKNMKMDKCWWJF-UHFFFAOYSA-N 2 0 237.347 1.055 20 0 BDADRP Cc1nccc(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)n1 ZINC000133519413 180206221 /nfs/dbraw/zinc/20/62/21/180206221.db2.gz PUQKDNQVBNQQNH-GXSJLCMTSA-N 2 0 232.331 1.822 20 0 BDADRP Cc1nccc(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)n1 ZINC000133519627 180207997 /nfs/dbraw/zinc/20/79/97/180207997.db2.gz PUQKDNQVBNQQNH-ONGXEEELSA-N 2 0 232.331 1.822 20 0 BDADRP C[NH2+]C[C@H]1CCCN1CC[C@@H]1CCCO1 ZINC000083527332 350234579 /nfs/dbraw/zinc/23/45/79/350234579.db2.gz PWORWZZUJUJVOV-NEPJUHHUSA-N 2 0 212.337 1.239 20 0 BDADRP Cc1nccn1CCCC[N@H+]1C[C@H](O)C[C@H]1C ZINC000336713050 180236553 /nfs/dbraw/zinc/23/65/53/180236553.db2.gz SGZRVWDJZHSCHM-DGCLKSJQSA-N 2 0 237.347 1.427 20 0 BDADRP Cc1nccnc1CC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000295055192 180274150 /nfs/dbraw/zinc/27/41/50/180274150.db2.gz QQNUBYINOFNIJO-DGCLKSJQSA-N 2 0 248.374 1.400 20 0 BDADRP Cc1nccnc1CC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000340495204 180275398 /nfs/dbraw/zinc/27/53/98/180275398.db2.gz UYFWGPWUIQKMDD-AAEUAGOBSA-N 2 0 248.374 1.257 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCOc1ccccc1F ZINC000422757841 192456906 /nfs/dbraw/zinc/45/69/06/192456906.db2.gz NAYJHMGBSYNUMY-GHMZBOCLSA-N 2 0 240.322 1.920 20 0 BDADRP Cc1ncsc1CC[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000122360644 180308957 /nfs/dbraw/zinc/30/89/57/180308957.db2.gz SXLOFNQZYGEJKN-ONGXEEELSA-N 2 0 239.388 1.663 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CCC(C)(C)CO)CC1(C)C ZINC000623537049 362955669 /nfs/dbraw/zinc/95/56/69/362955669.db2.gz LKEVKJQWWAGVJL-LBPRGKRZSA-N 2 0 242.407 1.857 20 0 BDADRP Cc1nn(C)c(C)c1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000228152841 180337821 /nfs/dbraw/zinc/33/78/21/180337821.db2.gz KCICMBJTOVTUGS-CABZTGNLSA-N 2 0 236.363 1.206 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C2CCC([NH3+])CC2)[C@H](C)O1 ZINC000384661181 350443359 /nfs/dbraw/zinc/44/33/59/350443359.db2.gz WAOAEQHGLASMKV-SGCDDIOWSA-N 2 0 212.337 1.412 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](C[C@H]2CCCCO2)C1 ZINC000300351763 490558176 /nfs/dbraw/zinc/55/81/76/490558176.db2.gz DIROSGDUAWTKKK-VXGBXAGGSA-N 2 0 212.337 1.226 20 0 BDADRP CC1(C[NH2+]CCC[NH+]2CCCC2)COC1 ZINC000070617527 350551195 /nfs/dbraw/zinc/55/11/95/350551195.db2.gz IHLKUKJXICGONR-UHFFFAOYSA-N 2 0 212.337 1.098 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H]2CCCCO2)CC[C@H]1[NH3+] ZINC000251849879 350904587 /nfs/dbraw/zinc/90/45/87/350904587.db2.gz RQJPNEJGEHXPIN-FRRDWIJNSA-N 2 0 226.364 1.615 20 0 BDADRP CC[N@@H+]1CCCN(c2cc(C)nc(C)n2)CC1 ZINC000267212378 351304414 /nfs/dbraw/zinc/30/44/14/351304414.db2.gz MASOFDJJCQKGMU-UHFFFAOYSA-N 2 0 234.347 1.625 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)[C@@H]1CCCOC1 ZINC000388813252 363021901 /nfs/dbraw/zinc/02/19/01/363021901.db2.gz DFGWEFXZRNMJPT-DGCLKSJQSA-N 2 0 226.364 1.391 20 0 BDADRP CC(C)(O)CC[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000674231301 487527530 /nfs/dbraw/zinc/52/75/30/487527530.db2.gz LNIIUPWOQCRKCQ-GFCCVEGCSA-N 2 0 237.347 1.681 20 0 BDADRP CC[NH+](CC)C[C@H](C)NC(=O)CC1([NH3+])CCC1 ZINC000094295268 487527546 /nfs/dbraw/zinc/52/75/46/487527546.db2.gz RULXZNVGWSCNMY-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+](C)Cc2cnc[nH]2)CC[NH2+]1 ZINC000577650096 366032837 /nfs/dbraw/zinc/03/28/37/366032837.db2.gz CVXQLJAODDJINR-GHMZBOCLSA-N 2 0 222.336 1.230 20 0 BDADRP CC[C@H](O)C[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000577722105 366043724 /nfs/dbraw/zinc/04/37/24/366043724.db2.gz GUVIKIVAGXVGSD-OLZOCXBDSA-N 2 0 228.380 1.469 20 0 BDADRP CC[NH2+][C@H](C)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000637857447 351717770 /nfs/dbraw/zinc/71/77/70/351717770.db2.gz WKYYMYVQTNWMIB-NXEZZACHSA-N 2 0 235.331 1.643 20 0 BDADRP [NH3+]CCC1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000083527345 351736771 /nfs/dbraw/zinc/73/67/71/351736771.db2.gz MREXWIJMTKFHQE-CYBMUJFWSA-N 2 0 226.364 1.616 20 0 BDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H](C)[NH3+])C[C@H]1C ZINC000638123620 351995968 /nfs/dbraw/zinc/99/59/68/351995968.db2.gz RAKLQKVZCPBHIB-QJPTWQEYSA-N 2 0 241.379 1.055 20 0 BDADRP CC[NH2+][C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC000638212907 352075190 /nfs/dbraw/zinc/07/51/90/352075190.db2.gz AJRLUOMMXHPWDG-LLVKDONJSA-N 2 0 243.395 1.079 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000638209196 352071222 /nfs/dbraw/zinc/07/12/22/352071222.db2.gz JGLUNGOBMRCBDV-GRYCIOLGSA-N 2 0 241.379 1.007 20 0 BDADRP C[C@@H]([NH2+]CCC[NH+](C)C)[C@H]1CC1(F)F ZINC000638290932 352125242 /nfs/dbraw/zinc/12/52/42/352125242.db2.gz WMCFQLWFWFIVEX-RKDXNWHRSA-N 2 0 206.280 1.571 20 0 BDADRP CC[C@@H](C(=O)N1CCCC[C@@H]1CC[NH3+])[NH+](C)C ZINC000638233761 352085899 /nfs/dbraw/zinc/08/58/99/352085899.db2.gz KEXWXMKWXVPVMS-NEPJUHHUSA-N 2 0 241.379 1.057 20 0 BDADRP C[N@@H+]1CCCC[C@H]1C(=O)NC(C)(C)CCC[NH3+] ZINC000638246664 352093345 /nfs/dbraw/zinc/09/33/45/352093345.db2.gz JDHIZMYDQIZSSD-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP CC[C@@H](C(=O)Nc1ccc(C[NH2+]C)cc1)[NH+](C)C ZINC000638256466 352099557 /nfs/dbraw/zinc/09/95/57/352099557.db2.gz QWIBYEHPGNKTDD-ZDUSSCGKSA-N 2 0 249.358 1.685 20 0 BDADRP CC[NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000638258468 352101710 /nfs/dbraw/zinc/10/17/10/352101710.db2.gz HXKWKQZOIJOUIS-VIFPVBQESA-N 2 0 233.315 1.226 20 0 BDADRP C[C@H]1C[C@@H]1C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638363805 352173670 /nfs/dbraw/zinc/17/36/70/352173670.db2.gz YQZBQDUGAKTHEC-NWDGAFQWSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@H]([NH3+])CC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000638330316 352148476 /nfs/dbraw/zinc/14/84/76/352148476.db2.gz UOZQCKGVCJPVDZ-WCQYABFASA-N 2 0 249.358 1.320 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000638396226 352203728 /nfs/dbraw/zinc/20/37/28/352203728.db2.gz JEJDSWWIDASWKN-WOPDTQHZSA-N 2 0 241.379 1.088 20 0 BDADRP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)[C@H]1CC1(F)F ZINC000638412606 352223131 /nfs/dbraw/zinc/22/31/31/352223131.db2.gz QFOONTCYBSQGME-HBNTYKKESA-N 2 0 248.317 1.076 20 0 BDADRP CC[C@@H](C)[C@H](C[NH2+]CCCC[NH+](C)C)OC ZINC000638451064 352257925 /nfs/dbraw/zinc/25/79/25/352257925.db2.gz JZORWJWDXNILES-OLZOCXBDSA-N 2 0 230.396 1.979 20 0 BDADRP C[C@@H](Cc1cnccn1)[NH2+]CCCC[NH+](C)C ZINC000638451822 352262128 /nfs/dbraw/zinc/26/21/28/352262128.db2.gz RMWJVLHTHUNZFW-LBPRGKRZSA-N 2 0 236.363 1.339 20 0 BDADRP C1C[NH2+][C@H]([C@@H]2CCC[C@H]2N[C@H]2CCC[NH2+]C2)C1 ZINC000414914967 352262670 /nfs/dbraw/zinc/26/26/70/352262670.db2.gz YTDYZJWSLIKSCR-XDQVBPFNSA-N 2 0 237.391 1.249 20 0 BDADRP C[C@]1(C[NH2+]C[C@H]2CCSC2)CCC[NH2+]C1 ZINC000414918265 352273608 /nfs/dbraw/zinc/27/36/08/352273608.db2.gz UCRJJGQASZBBOQ-NEPJUHHUSA-N 2 0 228.405 1.719 20 0 BDADRP CCc1cc(NCC2CC[NH+](C)CC2)ncn1 ZINC000044526195 352351718 /nfs/dbraw/zinc/35/17/18/352351718.db2.gz GZABHASHOUIMIV-UHFFFAOYSA-N 2 0 234.347 1.793 20 0 BDADRP [NH3+]CCCC(=O)N1CCCc2cccc(C[NH3+])c21 ZINC000638548348 352377551 /nfs/dbraw/zinc/37/75/51/352377551.db2.gz NJAMHUHEQUPZLH-UHFFFAOYSA-N 2 0 247.342 1.163 20 0 BDADRP C[C@H](Cc1cnccn1)[NH2+]CC1CC[NH+](C)CC1 ZINC000638566137 352391514 /nfs/dbraw/zinc/39/15/14/352391514.db2.gz BGJOLNKEHFNGIV-GFCCVEGCSA-N 2 0 248.374 1.339 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH2+]C2CC(n3cccn3)C2)C1 ZINC000638589379 352421036 /nfs/dbraw/zinc/42/10/36/352421036.db2.gz TVTBPWSBDYHBBZ-IYXRBSQSSA-N 2 0 248.374 1.518 20 0 BDADRP C[NH+](C)[C@H]1CCC[N@H+](CCC2(O)CCC2)CC1 ZINC000411642012 191202730 /nfs/dbraw/zinc/20/27/30/191202730.db2.gz YCVPRXYBJHHINR-ZDUSSCGKSA-N 2 0 240.391 1.708 20 0 BDADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@H]1CC1(F)F ZINC000638681578 352518798 /nfs/dbraw/zinc/51/87/98/352518798.db2.gz KSCAPXRJJSZAMC-NXEZZACHSA-N 2 0 248.317 1.076 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccccn2)C1 ZINC000086402098 538104196 /nfs/dbraw/zinc/10/41/96/538104196.db2.gz DNUOGMBJNUKMBB-MNOVXSKESA-N 2 0 205.305 1.441 20 0 BDADRP CCC[C@H]([NH3+])C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000040831331 352604856 /nfs/dbraw/zinc/60/48/56/352604856.db2.gz MHNMVVKCUUSUKV-RYUDHWBXSA-N 2 0 243.395 1.206 20 0 BDADRP OCCC1(C[NH2+][C@@H]2CCC[NH2+]CC2)CCCC1 ZINC000415087894 352567080 /nfs/dbraw/zinc/56/70/80/352567080.db2.gz VPNQGSRCPGKPMF-CYBMUJFWSA-N 2 0 240.391 1.661 20 0 BDADRP Cn1cc(C[N@H+](C)CCC2CC[NH2+]CC2)cn1 ZINC000042489403 352621782 /nfs/dbraw/zinc/62/17/82/352621782.db2.gz COGCBCDVJYZLTL-UHFFFAOYSA-N 2 0 236.363 1.242 20 0 BDADRP Cn1cnc2cc(C[N@@H+]3CC[C@@H](C[NH3+])C3)ccc21 ZINC000334183999 352773275 /nfs/dbraw/zinc/77/32/75/352773275.db2.gz CTWZEXNKDAQQAH-LBPRGKRZSA-N 2 0 244.342 1.354 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](O)C(C)(C)C1 ZINC000334215253 352814321 /nfs/dbraw/zinc/81/43/21/352814321.db2.gz UGUUNNWUDGBBCZ-OLZOCXBDSA-N 2 0 240.391 1.564 20 0 BDADRP CCC(CC)(CCO)C[NH2+][C@@H](C)CCC[NH3+] ZINC000422806053 192474803 /nfs/dbraw/zinc/47/48/03/192474803.db2.gz HREKBUJSQKQNCA-LBPRGKRZSA-N 2 0 230.396 1.892 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000334270933 352907702 /nfs/dbraw/zinc/90/77/02/352907702.db2.gz GFLGTORCKJUTRT-UONOGXRCSA-N 2 0 239.407 1.353 20 0 BDADRP CC[C@@H](C)[C@H](C[NH2+]CC1=CC[N@H+](C)CC1)OC ZINC000638838181 353023296 /nfs/dbraw/zinc/02/32/96/353023296.db2.gz DXKWLGPQHVZGQJ-OCCSQVGLSA-N 2 0 240.391 1.899 20 0 BDADRP c1cnn(C2CC([NH2+]CCC[NH+]3CCCC3)C2)c1 ZINC000638847628 353027768 /nfs/dbraw/zinc/02/77/68/353027768.db2.gz CFIJNVLVPPQNOK-UHFFFAOYSA-N 2 0 248.374 1.662 20 0 BDADRP CC(C)([NH3+])CN1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000336056473 535197084 /nfs/dbraw/zinc/19/70/84/535197084.db2.gz NCEXERUGNMHDCX-CYBMUJFWSA-N 2 0 239.407 1.674 20 0 BDADRP [NH3+][C@H](C(=O)N[C@@H]1CC[C@@H]([NH3+])CC1)c1ccccc1 ZINC000639021221 353279290 /nfs/dbraw/zinc/27/92/90/353279290.db2.gz FHLJINQAQXBVRF-AVGNSLFASA-N 2 0 247.342 1.073 20 0 BDADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@@H]1CCC[NH2+]C1 ZINC000251869570 353293815 /nfs/dbraw/zinc/29/38/15/353293815.db2.gz TXVRMESRJJXZSI-MCIONIFRSA-N 2 0 237.391 1.155 20 0 BDADRP C(C[NH2+]C1CCOCC1)C[NH+]1CCCC1 ZINC000036304288 188278405 /nfs/dbraw/zinc/27/84/05/188278405.db2.gz GJNIFSZJXQEXDC-UHFFFAOYSA-N 2 0 212.337 1.241 20 0 BDADRP C[C@H]1CCC[N@H+](CCN2CC[NH2+]CC2)[C@H]1C ZINC000252213289 353299096 /nfs/dbraw/zinc/29/90/96/353299096.db2.gz WYTNEESEYFHTRX-STQMWFEESA-N 2 0 225.380 1.012 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCSC2)C1 ZINC000040620964 188312244 /nfs/dbraw/zinc/31/22/44/188312244.db2.gz STRXLTKSFOSKMO-VXGBXAGGSA-N 2 0 228.405 1.812 20 0 BDADRP CC1(C)C[N@H+](CC[C@@H]2CC[NH2+]C2)CCS1 ZINC000133331764 188319431 /nfs/dbraw/zinc/31/94/31/188319431.db2.gz IWHOZZLSJPWNPT-NSHDSACASA-N 2 0 228.405 1.813 20 0 BDADRP C([C@@H]1CCOC1)[N@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000226435458 188331255 /nfs/dbraw/zinc/33/12/55/188331255.db2.gz ZFNONOWLHVGJMS-OLZOCXBDSA-N 2 0 238.375 1.487 20 0 BDADRP Cc1c(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cnn1C ZINC000227566316 188331369 /nfs/dbraw/zinc/33/13/69/188331369.db2.gz CIZQNIOTOKCUPD-CMPLNLGQSA-N 2 0 236.363 1.288 20 0 BDADRP C(C1CCC1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335623933 188338326 /nfs/dbraw/zinc/33/83/26/188338326.db2.gz RFGZALGNWAYQMV-ZDUSSCGKSA-N 2 0 208.349 1.862 20 0 BDADRP CC(C)[N@@H+](C)C[C@@H](C)NC1CC[NH+](C)CC1 ZINC000309319221 188344814 /nfs/dbraw/zinc/34/48/14/188344814.db2.gz DUBSSVNRLCQDFV-GFCCVEGCSA-N 2 0 227.396 1.399 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000336781219 188354647 /nfs/dbraw/zinc/35/46/47/188354647.db2.gz UCIYIYDWDSGYRQ-STQMWFEESA-N 3 0 227.396 1.258 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](CCCCCOC)C1 ZINC000226420609 363218088 /nfs/dbraw/zinc/21/80/88/363218088.db2.gz JKTHFQYJNBWODE-LBPRGKRZSA-N 2 0 214.353 1.344 20 0 BDADRP C[N@H+](CCc1cccnc1)C[C@@H]1CCC[NH+](C)C1 ZINC000355732452 188363101 /nfs/dbraw/zinc/36/31/01/188363101.db2.gz JWMKAYVASKXIAG-OAHLLOKOSA-N 2 0 247.386 1.898 20 0 BDADRP CCN(CC[NH3+])C[C@H]1COc2ccccc2O1 ZINC000231360750 353591538 /nfs/dbraw/zinc/59/15/38/353591538.db2.gz WHZYDHSDOSUQTR-NSHDSACASA-N 2 0 236.315 1.107 20 0 BDADRP c1cn(CCC[N@@H+]2CCC[C@@H]3COCC[C@@H]32)cn1 ZINC000343313276 353625794 /nfs/dbraw/zinc/62/57/94/353625794.db2.gz GXUFDGBSEWWVBL-KGLIPLIRSA-N 2 0 249.358 1.774 20 0 BDADRP CCSCC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000119997508 353692362 /nfs/dbraw/zinc/69/23/62/353692362.db2.gz XTKHROWLWQURCD-LLVKDONJSA-N 2 0 216.394 1.623 20 0 BDADRP CCC[C@@H](C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)OC ZINC000639113787 353714556 /nfs/dbraw/zinc/71/45/56/353714556.db2.gz VIZZATZLNMSHFM-XQQFMLRXSA-N 2 0 226.364 1.295 20 0 BDADRP C[C@@H](NC(=O)CC[C@H]([NH3+])c1ccccc1)[C@H](C)[NH3+] ZINC000563874992 353725574 /nfs/dbraw/zinc/72/55/74/353725574.db2.gz BWBWVKUICZYJFQ-LOWVWBTDSA-N 2 0 249.358 1.319 20 0 BDADRP CCCC[C@@H]([NH3+])C(=O)NC1CC[NH+](CC)CC1 ZINC000038098319 358483966 /nfs/dbraw/zinc/48/39/66/358483966.db2.gz HJCWQXSDOIJKBL-GFCCVEGCSA-N 2 0 241.379 1.104 20 0 BDADRP Cc1cc([C@H](C)[NH2+]CC2CC[NH+](C)CC2)no1 ZINC000344184225 354177676 /nfs/dbraw/zinc/17/76/76/354177676.db2.gz JBHDTMFIMIGYDC-NSHDSACASA-N 2 0 237.347 1.975 20 0 BDADRP C[NH+](C)CCOCC[NH2+]C1CCCC1 ZINC000231676786 363348011 /nfs/dbraw/zinc/34/80/11/363348011.db2.gz LIJCMMSWBWLWRD-UHFFFAOYSA-N 2 0 200.326 1.097 20 0 BDADRP C[C@H]1C[C@@H](C[NH+]2CCC(C[NH3+])CC2)CC[NH2+]1 ZINC000334586596 354211518 /nfs/dbraw/zinc/21/15/18/354211518.db2.gz OAOWIFAODBEJEW-AAEUAGOBSA-N 3 0 225.380 1.045 20 0 BDADRP CCCC[N@H+](C)CCN[C@H]1C[NH+](CC)C[C@@H]1C ZINC000344411683 354251894 /nfs/dbraw/zinc/25/18/94/354251894.db2.gz RIEIFJWDFMXIOF-KBPBESRZSA-N 2 0 241.423 1.648 20 0 BDADRP C[C@H]1CN(C)C[C@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000334597048 354231521 /nfs/dbraw/zinc/23/15/21/354231521.db2.gz NLTLMXQGUFXAKY-SMDDNHRTSA-N 2 0 244.342 1.374 20 0 BDADRP Cn1cncc1CN[C@H](CO)c1cccc(F)c1 ZINC000344350469 354239582 /nfs/dbraw/zinc/23/95/82/354239582.db2.gz XLPBXJFRZUZLJX-CYBMUJFWSA-N 2 0 249.289 1.382 20 0 BDADRP c1ccc([C@H]2C[C@@H](N[C@H]3CC[NH2+]C3)CC[NH2+]2)cc1 ZINC000577963560 366148878 /nfs/dbraw/zinc/14/88/78/366148878.db2.gz FCHCIFNJKAQSEM-SOUVJXGZSA-N 2 0 245.370 1.431 20 0 BDADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCn3ccnc3)C2)C1 ZINC000334674113 354417038 /nfs/dbraw/zinc/41/70/38/354417038.db2.gz IWLXLRXZBDQDKA-CQSZACIVSA-N 2 0 248.374 1.301 20 0 BDADRP C/C=C\C[C@@H](CO)[NH2+]C1CC[NH+](CCC)CC1 ZINC000349432228 366194645 /nfs/dbraw/zinc/19/46/45/366194645.db2.gz XZBALQYXSSJIIY-MFBWXBCUSA-N 2 0 240.391 1.778 20 0 BDADRP Cc1n[nH]cc1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000334649525 354441048 /nfs/dbraw/zinc/44/10/48/354441048.db2.gz HDSDSYODFGXFFG-ONGXEEELSA-N 2 0 222.336 1.277 20 0 BDADRP CC1=C[C@H](C)C[N@H+](Cc2cnc(N(C)C)n2C)C1 ZINC000335115203 354704430 /nfs/dbraw/zinc/70/44/30/354704430.db2.gz SAWLBBVGCRCBAF-NSHDSACASA-N 2 0 248.374 1.884 20 0 BDADRP C[C@H](C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O)Cc1ccccc1 ZINC000346005423 354837871 /nfs/dbraw/zinc/83/78/71/354837871.db2.gz GHZFTUQTETXHQV-CFVMTHIKSA-N 2 0 248.370 1.035 20 0 BDADRP COCCC[N@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000234599214 363425025 /nfs/dbraw/zinc/42/50/25/363425025.db2.gz JJBXPAVMVUYQAU-RYUDHWBXSA-N 2 0 214.353 1.343 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]CCC[NH2+]C)C1(C)C ZINC000233743543 363407002 /nfs/dbraw/zinc/40/70/02/363407002.db2.gz PYCWGTHUKLRJLB-GHMZBOCLSA-N 2 0 214.353 1.389 20 0 BDADRP C([C@@H]1CCSC1)N1CC[NH+]2CCC1CC2 ZINC000335147139 354860142 /nfs/dbraw/zinc/86/01/42/354860142.db2.gz DKDOJWWNAZVLCY-NSHDSACASA-N 2 0 226.389 1.520 20 0 BDADRP CSC1(C[NH2+]CC2CC[NH+](C)CC2)CC1 ZINC000235227514 363440171 /nfs/dbraw/zinc/44/01/71/363440171.db2.gz LWALCXDWHXAFBW-UHFFFAOYSA-N 2 0 228.405 1.813 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]C1CCCC1 ZINC000234709720 363427074 /nfs/dbraw/zinc/42/70/74/363427074.db2.gz BNFZYDNDKTUMPF-LLVKDONJSA-N 2 0 200.326 1.273 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CC1CCCC1 ZINC000234780614 363429933 /nfs/dbraw/zinc/42/99/33/363429933.db2.gz SFGGNQYFBKGGTE-LBPRGKRZSA-N 2 0 214.353 1.520 20 0 BDADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000335171191 354935407 /nfs/dbraw/zinc/93/54/07/354935407.db2.gz XKYFGXRNSFMMJI-AAEUAGOBSA-N 2 0 248.374 1.529 20 0 BDADRP CCC[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000335176795 354945846 /nfs/dbraw/zinc/94/58/46/354945846.db2.gz QGALQTWVWHMQCA-CHWSQXEVSA-N 2 0 226.364 1.615 20 0 BDADRP CCC[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])OCC ZINC000530212548 324528627 /nfs/dbraw/zinc/52/86/27/324528627.db2.gz QSMKOLKEJVMRAW-YNEHKIRRSA-N 2 0 228.380 1.909 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H]2CCCO2)C1 ZINC000346460649 354964481 /nfs/dbraw/zinc/96/44/81/354964481.db2.gz MXUZTBUEHZZEAW-BFHYXJOUSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H](CCC1CC1)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000346516241 354973134 /nfs/dbraw/zinc/97/31/34/354973134.db2.gz CLFXTRORSCFPLA-LBPRGKRZSA-N 2 0 240.391 1.611 20 0 BDADRP CC(C)[C@H]([NH3+])CCN(C)C[C@H]1CCC[NH2+]C1 ZINC000346685902 355012069 /nfs/dbraw/zinc/01/20/69/355012069.db2.gz QTHPLSZDBOYCKW-QWHCGFSZSA-N 2 0 227.396 1.291 20 0 BDADRP CC[C@H]1C[C@@H](C[NH+]2CCC(C[NH3+])CC2)CCO1 ZINC000346636711 355014519 /nfs/dbraw/zinc/01/45/19/355014519.db2.gz HKFDDXRUUTUUTJ-KBPBESRZSA-N 2 0 240.391 1.862 20 0 BDADRP C[C@@H](CC1CCOCC1)C[NH+]1CCC([NH3+])CC1 ZINC000346648668 355017927 /nfs/dbraw/zinc/01/79/27/355017927.db2.gz PJZREYKJPGAMOE-LBPRGKRZSA-N 2 0 240.391 1.862 20 0 BDADRP CC[C@@H]1C[C@H](C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)CCO1 ZINC000346695204 355077125 /nfs/dbraw/zinc/07/71/25/355077125.db2.gz YVIYEVUPGKGQCI-YIYPIFLZSA-N 2 0 240.391 1.861 20 0 BDADRP CC(C)([NH3+])CN(CCCO)Cc1ccccc1 ZINC000346856417 355139835 /nfs/dbraw/zinc/13/98/35/355139835.db2.gz WEPGGQNDUPZNDX-UHFFFAOYSA-N 2 0 236.359 1.608 20 0 BDADRP CC(C)CO[C@@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346964811 355172384 /nfs/dbraw/zinc/17/23/84/355172384.db2.gz BTPHLJJVVFGXQX-UONOGXRCSA-N 2 0 240.391 1.733 20 0 BDADRP CCOC[C@@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346996099 355194981 /nfs/dbraw/zinc/19/49/81/355194981.db2.gz WJDWGJLQAHVVMS-CHWSQXEVSA-N 2 0 226.364 1.344 20 0 BDADRP CC[NH2+]CC1CC[NH+](Cc2cc[nH]n2)CC1 ZINC000347005161 355201893 /nfs/dbraw/zinc/20/18/93/355201893.db2.gz BFURFBWYWQYLAX-UHFFFAOYSA-N 2 0 222.336 1.231 20 0 BDADRP CCCN(C[C@H]1CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC000347009874 355203618 /nfs/dbraw/zinc/20/36/18/355203618.db2.gz SLVMXMBHHSAYTK-ZDUSSCGKSA-N 2 0 239.407 1.450 20 0 BDADRP CCOc1cccc(CN2CC[C@H](C[NH3+])C2)n1 ZINC000347015475 355205805 /nfs/dbraw/zinc/20/58/05/355205805.db2.gz JMPOXWKIGBSTLE-LLVKDONJSA-N 2 0 235.331 1.261 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000113516424 355234152 /nfs/dbraw/zinc/23/41/52/355234152.db2.gz MQKBAHHTLRKAHZ-STQMWFEESA-N 2 0 226.364 1.439 20 0 BDADRP C[C@@H]1CC2(C[N@@H+]1Cc1ccnn1C)CC[NH2+]CC2 ZINC000335281765 355272772 /nfs/dbraw/zinc/27/27/72/355272772.db2.gz XFYHRGMBLIHFJU-GFCCVEGCSA-N 2 0 248.374 1.384 20 0 BDADRP COC[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)C1CC1 ZINC000414182143 191453369 /nfs/dbraw/zinc/45/33/69/191453369.db2.gz MYSRDXCEWUHUGW-OCCSQVGLSA-N 2 0 240.391 1.733 20 0 BDADRP CC(C)C[C@H]([NH3+])CN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000414652640 191542551 /nfs/dbraw/zinc/54/25/51/191542551.db2.gz DPMOHGRPLCJGSO-WCQYABFASA-N 2 0 225.380 1.186 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CCCOC1 ZINC000389011791 355409094 /nfs/dbraw/zinc/40/90/94/355409094.db2.gz SPAZBJIGUWYLHL-ZDEQEGDKSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@H]1C[C@@H](O)C[N@@H+]1CCC[NH+]1CCCCC1 ZINC000349854382 355496180 /nfs/dbraw/zinc/49/61/80/355496180.db2.gz OHMVNXVPRILKBR-QWHCGFSZSA-N 2 0 226.364 1.318 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CCCC[C@H]1CC[NH3+] ZINC000414800220 191572129 /nfs/dbraw/zinc/57/21/29/191572129.db2.gz YXYHOQPDTPPVEA-OLZOCXBDSA-N 2 0 227.396 1.563 20 0 BDADRP COCC(C)(C)C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414844400 191598573 /nfs/dbraw/zinc/59/85/73/191598573.db2.gz RCXPJVHEMPVFJO-GFCCVEGCSA-N 2 0 228.380 1.638 20 0 BDADRP CC[C@H]1CCC[C@H]([NH2+]CCN2CC[NH2+]CC2)C1 ZINC000414860653 191604050 /nfs/dbraw/zinc/60/40/50/191604050.db2.gz CVYXFGYMUFJPSH-KBPBESRZSA-N 2 0 239.407 1.450 20 0 BDADRP CN(C)c1ccccc1C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415031494 191657376 /nfs/dbraw/zinc/65/73/76/191657376.db2.gz GXEDVAXYUAYYPF-TZMCWYRMSA-N 2 0 247.386 1.970 20 0 BDADRP C[C@H](CC[NH3+])NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000349952352 355535163 /nfs/dbraw/zinc/53/51/63/355535163.db2.gz OTJARCSMFLITJD-VXGBXAGGSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@H]1CC(C[NH2+]C2CCN(C)CC2)C[C@H](C)O1 ZINC000335819084 355510283 /nfs/dbraw/zinc/51/02/83/355510283.db2.gz HETVTODWTWSVTE-RYUDHWBXSA-N 2 0 240.391 1.874 20 0 BDADRP CC[C@@H]1C[N@@H+]([C@H](C)CCOC)CC[C@@H]1[NH3+] ZINC000251793307 491080474 /nfs/dbraw/zinc/08/04/74/491080474.db2.gz NRTYXJHIPUHBGY-UTUOFQBUSA-N 2 0 214.353 1.471 20 0 BDADRP [NH3+]CC1CCC([NH2+]C[C@H]2CCCCO2)CC1 ZINC000415108809 191679591 /nfs/dbraw/zinc/67/95/91/191679591.db2.gz PDEOHRQISZPVGB-WXRRBKDZSA-N 2 0 226.364 1.663 20 0 BDADRP Cc1ccc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)nc1 ZINC000415040238 191660106 /nfs/dbraw/zinc/66/01/06/191660106.db2.gz OTBDYZHTJXAIRG-NEPJUHHUSA-N 2 0 219.332 1.607 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@]2(C)CC[NH2+]C2)cc1 ZINC000335878413 355649125 /nfs/dbraw/zinc/64/91/25/355649125.db2.gz LVLHFZZCHIKRPS-QMTHXVAHSA-N 2 0 247.342 1.644 20 0 BDADRP CCC[C@@H](C[N@H+](C)CC1CN(C)C1)OC ZINC000639310004 355666180 /nfs/dbraw/zinc/66/61/80/355666180.db2.gz QHZPZSIDEWSWBP-LBPRGKRZSA-N 2 0 214.353 1.295 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]1CC1(F)F ZINC000639313491 355690680 /nfs/dbraw/zinc/69/06/80/355690680.db2.gz WFJRYZTXRPDFSE-UKKRHICBSA-N 2 0 232.318 1.960 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]CCC2CCOCC2)C1 ZINC000639313539 355691058 /nfs/dbraw/zinc/69/10/58/355691058.db2.gz XHRYMCTVRIOVJI-OKILXGFUSA-N 2 0 240.391 1.733 20 0 BDADRP Cc1cnc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)o1 ZINC000639313253 355685477 /nfs/dbraw/zinc/68/54/77/355685477.db2.gz VFXNOCJGAGQLGJ-PHIMTYICSA-N 2 0 223.320 1.413 20 0 BDADRP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C1(C)CC1 ZINC000166814715 355851184 /nfs/dbraw/zinc/85/11/84/355851184.db2.gz JGPFNQBQRYRMBK-RYUDHWBXSA-N 2 0 226.364 1.221 20 0 BDADRP COC[C@@H]1CC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000351227606 355963907 /nfs/dbraw/zinc/96/39/07/355963907.db2.gz OJUKDUVYSQSHTD-ZIAGYGMSSA-N 2 0 240.391 1.829 20 0 BDADRP Cc1cnccc1CN(C)[C@H]1C[NH+]2CCC1CC2 ZINC000639392306 356053721 /nfs/dbraw/zinc/05/37/21/356053721.db2.gz DXKHDUCFHWTQDM-HNNXBMFYSA-N 2 0 245.370 1.916 20 0 BDADRP CCC1(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])CCOCC1 ZINC000261545622 535296532 /nfs/dbraw/zinc/29/65/32/535296532.db2.gz GDIUMEGEIMVSEA-QWHCGFSZSA-N 2 0 240.391 1.910 20 0 BDADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCCOC1 ZINC000422862226 192490678 /nfs/dbraw/zinc/49/06/78/192490678.db2.gz PKHOMEYAYULFLO-NWANDNLSSA-N 2 0 248.370 1.714 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CN(C)CCN1C)C(C)(C)C ZINC000167502896 356177201 /nfs/dbraw/zinc/17/72/01/356177201.db2.gz TUUHAGPTGUIAEY-RYUDHWBXSA-N 2 0 227.396 1.256 20 0 BDADRP C[C@H](N)[C@@H]1CCCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420264986 192191302 /nfs/dbraw/zinc/19/13/02/192191302.db2.gz AWIHKZYPRFVPJH-MJBXVCDLSA-N 2 0 239.407 1.578 20 0 BDADRP CC[N@H+](CCO)Cc1c(C)cc(C)nc1C ZINC000639473580 356266550 /nfs/dbraw/zinc/26/65/50/356266550.db2.gz FBALYADQNPVSNF-UHFFFAOYSA-N 2 0 222.332 1.821 20 0 BDADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)CC(C)(C)C[NH3+] ZINC000420294437 192204000 /nfs/dbraw/zinc/20/40/00/192204000.db2.gz SSMMVGIKKWWZBI-GFCCVEGCSA-N 3 0 227.396 1.293 20 0 BDADRP C[C@@H](O)CC[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420296754 192204304 /nfs/dbraw/zinc/20/43/04/192204304.db2.gz DTXVRDSDKZBVRV-NEPJUHHUSA-N 2 0 214.353 1.079 20 0 BDADRP C[C@@H]1CN(CCC[NH+]2CCCCC2)C[C@@H](C)[NH2+]1 ZINC000420300871 192206552 /nfs/dbraw/zinc/20/65/52/192206552.db2.gz VKGWIEIMQTUFST-ZIAGYGMSSA-N 2 0 239.407 1.545 20 0 BDADRP c1n[nH]cc1[C@H]1CCCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420319850 192196050 /nfs/dbraw/zinc/19/60/50/192196050.db2.gz PRZWTTDTDRIATC-GXTWGEPZSA-N 2 0 248.374 1.936 20 0 BDADRP CC(C)OC(=O)CC[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000420319243 192196165 /nfs/dbraw/zinc/19/61/65/192196165.db2.gz XOIKPILGFHVOQU-LBPRGKRZSA-N 2 0 242.363 1.389 20 0 BDADRP C[N@H+](CC[C@@H]1CCCCO1)C1CC[NH2+]CC1 ZINC000420271965 192196412 /nfs/dbraw/zinc/19/64/12/192196412.db2.gz LDYNEWXTDOJYTP-ZDUSSCGKSA-N 2 0 226.364 1.629 20 0 BDADRP C[N@H+](CC[C@H]1CCCCO1)C1CC[NH2+]CC1 ZINC000420271964 192197779 /nfs/dbraw/zinc/19/77/79/192197779.db2.gz LDYNEWXTDOJYTP-CYBMUJFWSA-N 2 0 226.364 1.629 20 0 BDADRP CC[NH+](CC)CCCN1CCCC[C@H]1[C@H](C)[NH3+] ZINC000420281073 192198825 /nfs/dbraw/zinc/19/88/25/192198825.db2.gz ZHUZLBOZOBZWSM-KBPBESRZSA-N 2 0 241.423 1.920 20 0 BDADRP CC(C)OC(=O)CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420287312 192201527 /nfs/dbraw/zinc/20/15/27/192201527.db2.gz HUMSJJVGDIBTEE-VXGBXAGGSA-N 2 0 242.363 1.387 20 0 BDADRP C[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)[C@@H]1CN ZINC000420289710 192201914 /nfs/dbraw/zinc/20/19/14/192201914.db2.gz KWGIPFUXGGLORH-MGPQQGTHSA-N 2 0 239.407 1.435 20 0 BDADRP COc1cccc(CN[C@@](C)(C[NH3+])C2CC2)c1 ZINC000420289994 192202025 /nfs/dbraw/zinc/20/20/25/192202025.db2.gz LBSZNVTZEWSILW-AWEZNQCLSA-N 2 0 234.343 1.912 20 0 BDADRP C[NH2+]C[C@@H]1CCCN1CC[C@H]1CCC[NH2+]C1 ZINC000420294092 192202601 /nfs/dbraw/zinc/20/26/01/192202601.db2.gz SJAVCXBYSONOMI-OLZOCXBDSA-N 2 0 225.380 1.060 20 0 BDADRP c1cnn(CC[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420330530 192214856 /nfs/dbraw/zinc/21/48/56/192214856.db2.gz QBBQNJDCZUUZEA-UONOGXRCSA-N 2 0 248.374 1.205 20 0 BDADRP CCCC[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420334981 192215246 /nfs/dbraw/zinc/21/52/46/192215246.db2.gz UQGWTQKYPSLUGX-GFCCVEGCSA-N 2 0 226.364 1.474 20 0 BDADRP C([C@H]1CCOC1)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420338943 192216251 /nfs/dbraw/zinc/21/62/51/192216251.db2.gz YIXUYSQYHDNWJA-MCIONIFRSA-N 2 0 238.375 1.344 20 0 BDADRP CCc1ccccc1C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420349050 192217102 /nfs/dbraw/zinc/21/71/02/192217102.db2.gz BODKMDYXRDCBCE-ZDUSSCGKSA-N 2 0 222.332 1.000 20 0 BDADRP CCc1cccc(C[N@H+](C)C[C@H](O)C[NH3+])c1 ZINC000420352278 192217293 /nfs/dbraw/zinc/21/72/93/192217293.db2.gz MDFUXRDBXHJQMC-CYBMUJFWSA-N 2 0 222.332 1.000 20 0 BDADRP CC[N@H+](C)C[C@@H]1CCN(CCc2cnccn2)C1 ZINC000639511392 356345962 /nfs/dbraw/zinc/34/59/62/356345962.db2.gz MAEUKWQFHFYGIF-ZDUSSCGKSA-N 2 0 248.374 1.293 20 0 BDADRP CCOC[C@@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420307646 192209145 /nfs/dbraw/zinc/20/91/45/192209145.db2.gz RPVLXTDNNKBTHP-UONOGXRCSA-N 2 0 240.391 1.735 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@](C)(C[NH3+])C1 ZINC000420306261 192209370 /nfs/dbraw/zinc/20/93/70/192209370.db2.gz AJQHEVKGKOEEHR-CYBMUJFWSA-N 2 0 227.396 1.389 20 0 BDADRP C[C@@H]1C[NH2+]CCN1CCC[NH+]1CCCCC1 ZINC000420312013 192210400 /nfs/dbraw/zinc/21/04/00/192210400.db2.gz HNRJSLDUEAVGAV-CYBMUJFWSA-N 2 0 225.380 1.156 20 0 BDADRP c1c[nH]c([C@@H]2CCC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)n1 ZINC000420311983 192210752 /nfs/dbraw/zinc/21/07/52/192210752.db2.gz HKENCBHXMRQWRC-QWHCGFSZSA-N 2 0 248.374 1.589 20 0 BDADRP CC[NH+](CC)CCCN(C)[C@@H]1CCC[NH2+]CC1 ZINC000420308064 192210801 /nfs/dbraw/zinc/21/08/01/192210801.db2.gz JTDCLMXMXXPFEN-CQSZACIVSA-N 2 0 241.423 1.792 20 0 BDADRP CO[C@]1(C)C[C@@H]([N@H+](C)CCC[NH3+])C1(C)C ZINC000420308447 192210921 /nfs/dbraw/zinc/21/09/21/192210921.db2.gz SGDZPQCRRXVZJW-ZYHUDNBSSA-N 2 0 214.353 1.471 20 0 BDADRP C[NH2+]CCC[NH+]1CCC(c2cc(C)n[nH]2)CC1 ZINC000420367122 192226183 /nfs/dbraw/zinc/22/61/83/192226183.db2.gz GUVSVHBEQPJLIB-UHFFFAOYSA-N 2 0 236.363 1.507 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cccnc1 ZINC000420369363 192226267 /nfs/dbraw/zinc/22/62/67/192226267.db2.gz ISFFFSWAMMAPBG-NWDGAFQWSA-N 2 0 219.332 1.732 20 0 BDADRP Cc1cnn(CC[NH2+][C@@](C)(C[NH3+])C(C)C)c1 ZINC000420323444 192226783 /nfs/dbraw/zinc/22/67/83/192226783.db2.gz UHOBWANJVUJJCD-LBPRGKRZSA-N 2 0 224.352 1.155 20 0 BDADRP CC(C)[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000420370116 192228326 /nfs/dbraw/zinc/22/83/26/192228326.db2.gz YLWFBXLAKBPDSI-OLZOCXBDSA-N 2 0 226.364 1.343 20 0 BDADRP COCCC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420324812 192228805 /nfs/dbraw/zinc/22/88/05/192228805.db2.gz HQDAAEHTFGVYSK-CHWSQXEVSA-N 2 0 226.364 1.344 20 0 BDADRP C[C@@H]1C[C@@H]([N@H+](C)CC[C@@H]2CC[NH2+]C2)CCN1C ZINC000420327761 192229741 /nfs/dbraw/zinc/22/97/41/192229741.db2.gz ZBLSQAVYBRERAR-RDBSUJKOSA-N 2 0 239.407 1.401 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000420325287 192229984 /nfs/dbraw/zinc/22/99/84/192229984.db2.gz BKOBPQXVRQBLSA-ZIAGYGMSSA-N 2 0 241.423 1.778 20 0 BDADRP CCCCC[N@H+](CCO)CC[C@@H]1CC[NH2+]C1 ZINC000420325737 192230127 /nfs/dbraw/zinc/23/01/27/192230127.db2.gz WTCJKOXFYSQZII-ZDUSSCGKSA-N 2 0 228.380 1.471 20 0 BDADRP CC(C)[C@@](C)(CN)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000420327865 192230161 /nfs/dbraw/zinc/23/01/61/192230161.db2.gz ZADZANVRWHTWLV-QWHCGFSZSA-N 2 0 227.396 1.339 20 0 BDADRP C[N@H+](C[C@@H](O)C[NH3+])[C@@H]1CCCc2ccccc21 ZINC000420356616 192219921 /nfs/dbraw/zinc/21/99/21/192219921.db2.gz RCCOURJRCBQFBS-GXTWGEPZSA-N 2 0 234.343 1.315 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CCc2ccsc2C1 ZINC000420358038 192220527 /nfs/dbraw/zinc/22/05/27/192220527.db2.gz IVKNPRNPLADVRK-UHFFFAOYSA-N 2 0 226.345 1.082 20 0 BDADRP COC(=O)[C@H](C)C[N@H+](C)CCC1CC[NH2+]CC1 ZINC000420358059 192220553 /nfs/dbraw/zinc/22/05/53/192220553.db2.gz IZKFSSNGXTWEJX-LLVKDONJSA-N 2 0 242.363 1.117 20 0 BDADRP CC(C)(C)[C@H](CN)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000420359723 192221781 /nfs/dbraw/zinc/22/17/81/192221781.db2.gz KFJPBZLFUNJSNW-RYUDHWBXSA-N 2 0 227.396 1.339 20 0 BDADRP C[N@H+](C[C@H](O)C[NH3+])[C@H]1CCc2ccc(F)cc21 ZINC000420361029 192222469 /nfs/dbraw/zinc/22/24/69/192222469.db2.gz XQDAWKPOXCWWBQ-YPMHNXCESA-N 2 0 238.306 1.064 20 0 BDADRP C[C@H]1CCCC[N@H+](CCOCC[NH3+])C1 ZINC000420365710 192223476 /nfs/dbraw/zinc/22/34/76/192223476.db2.gz FEMDAGJWCLGUME-NSHDSACASA-N 2 0 200.326 1.084 20 0 BDADRP CC(C)C[C@@H]1OCCC[C@H]1[NH2+]CCOCC[NH3+] ZINC000420416226 192240884 /nfs/dbraw/zinc/24/08/84/192240884.db2.gz VLVYOQJCAKIPQH-OLZOCXBDSA-N 2 0 244.379 1.145 20 0 BDADRP CC(C)OC(=O)CC[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420415242 192240905 /nfs/dbraw/zinc/24/09/05/192240905.db2.gz UXPKLMNDNVEQCX-VXGBXAGGSA-N 2 0 242.363 1.245 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CCOCC[NH3+])[C@H](C)C1 ZINC000420421293 192242318 /nfs/dbraw/zinc/24/23/18/192242318.db2.gz YQJBXFUHPHGTEL-IJLUTSLNSA-N 2 0 214.353 1.376 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCCC[C@H](COC)C1 ZINC000420377154 192231887 /nfs/dbraw/zinc/23/18/87/192231887.db2.gz RRNOPIITGSFEGT-LBPRGKRZSA-N 2 0 214.353 1.344 20 0 BDADRP CCC(CC)(C[NH2+]CCC[NH2+]C)C(=O)OC ZINC000420380373 192232819 /nfs/dbraw/zinc/23/28/19/192232819.db2.gz WGZIEAJCIYJOMD-UHFFFAOYSA-N 2 0 230.352 1.165 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414919680 491092277 /nfs/dbraw/zinc/09/22/77/491092277.db2.gz VPWKJCBPRMMNBW-MROQNXINSA-N 2 0 225.380 1.377 20 0 BDADRP CC[N@H+](CCC[NH+]1CCCCC1)C[C@@H](C)O ZINC000352220010 134109195 /nfs/dbraw/zinc/10/91/95/134109195.db2.gz GGZSCDVHKHFAHF-CYBMUJFWSA-N 2 0 228.380 1.565 20 0 BDADRP C[C@@H]1C[C@@H](CO)C[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000420944520 192276090 /nfs/dbraw/zinc/27/60/90/192276090.db2.gz QZVRTGICOVJISM-MGPQQGTHSA-N 2 0 240.391 1.421 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000639614037 356531634 /nfs/dbraw/zinc/53/16/34/356531634.db2.gz WVECLRMKZJGYMM-MELADBBJSA-N 2 0 240.391 1.828 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1C[C@@H](C)C[C@H](CO)C1 ZINC000420930878 192286731 /nfs/dbraw/zinc/28/67/31/192286731.db2.gz CTYRZQZBXVDJLP-KBPBESRZSA-N 2 0 242.407 1.669 20 0 BDADRP C[C@H]1C[N@H+](C)CCN1CC[C@@H]1CCC[NH+]1C ZINC000336214852 134136086 /nfs/dbraw/zinc/13/60/86/134136086.db2.gz BKSPVNSYWITXMP-STQMWFEESA-N 2 0 225.380 1.107 20 0 BDADRP OCCCC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639681986 356592606 /nfs/dbraw/zinc/59/26/06/356592606.db2.gz DEDGOQBWKTUTKA-UHFFFAOYSA-N 2 0 249.358 1.366 20 0 BDADRP CO[C@H]1CC[N@H+](CCc2cncn2C)C[C@H]1C ZINC000639663568 356577319 /nfs/dbraw/zinc/57/73/19/356577319.db2.gz PRAIOJIRXZRCNN-YPMHNXCESA-N 2 0 237.347 1.319 20 0 BDADRP Cc1ccsc1[C@H](CO)[NH2+][C@@H](C)CCC[NH3+] ZINC000422985767 192518839 /nfs/dbraw/zinc/51/88/39/192518839.db2.gz AGHXLRPXTORIRH-QWRGUYRKSA-N 2 0 242.388 1.807 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CCNc1ccccn1 ZINC000423001934 192523640 /nfs/dbraw/zinc/52/36/40/192523640.db2.gz FIJXTGCOFNKERQ-LLVKDONJSA-N 2 0 222.336 1.211 20 0 BDADRP COc1cc(C)cc(C[NH2+][C@H](C)C2C[NH2+]C2)c1 ZINC000423005800 192535387 /nfs/dbraw/zinc/53/53/87/192535387.db2.gz SVJBDKUMZQMMRE-LLVKDONJSA-N 2 0 234.343 1.701 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@](C)(O)C(F)(F)F ZINC000423013478 192538487 /nfs/dbraw/zinc/53/84/87/192538487.db2.gz MWTRHVRVVHTYCE-BDAKNGLRSA-N 2 0 242.285 1.407 20 0 BDADRP C/C=C/C[C@H](CO)[NH2+][C@H](C)CCCC[NH3+] ZINC000423044468 192550218 /nfs/dbraw/zinc/55/02/18/192550218.db2.gz APEVUXHYDPIBGK-BLDJZWNYSA-N 2 0 214.353 1.421 20 0 BDADRP Cc1cccc(C[C@@H](CO)[NH2+][C@@H](C)C2C[NH2+]C2)c1 ZINC000423075332 192559860 /nfs/dbraw/zinc/55/98/60/192559860.db2.gz WQJATDZDBOIHRC-WFASDCNBSA-N 2 0 248.370 1.096 20 0 BDADRP C[C@H](C[NH+]1CCCCCC1)N[C@H](C)C1C[NH2+]C1 ZINC000423050784 192551458 /nfs/dbraw/zinc/55/14/58/192551458.db2.gz MCTDIMGYEXHGMS-CHWSQXEVSA-N 2 0 239.407 1.448 20 0 BDADRP C/C=C\C[C@@H](CO)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423053691 192552893 /nfs/dbraw/zinc/55/28/93/192552893.db2.gz SHXITVUSIVOVQM-ALXDSIOWSA-N 2 0 226.364 1.421 20 0 BDADRP Cc1ccccc1C[C@H](CO)[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000423059723 192554281 /nfs/dbraw/zinc/55/42/81/192554281.db2.gz MUVLMFNENZJKOA-KFWWJZLASA-N 2 0 248.370 1.368 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)[C@@H]1CCCO1 ZINC000130049309 325007332 /nfs/dbraw/zinc/00/73/32/325007332.db2.gz CXYJSIVPARVUJR-RVMXOQNASA-N 2 0 226.364 1.626 20 0 BDADRP Cn1cc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cn1 ZINC000639757998 356664523 /nfs/dbraw/zinc/66/45/23/356664523.db2.gz OCVQNQSNNRIRBX-UHFFFAOYSA-N 2 0 248.374 1.338 20 0 BDADRP C[C@H](CO)[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000167641286 134153276 /nfs/dbraw/zinc/15/32/76/134153276.db2.gz LLWSBTZKBUWYNG-IJLUTSLNSA-N 2 0 214.353 1.268 20 0 BDADRP C[NH+]1CCC2(CC[N@H+](Cc3ccccn3)C2)CC1 ZINC000639758606 356667637 /nfs/dbraw/zinc/66/76/37/356667637.db2.gz WBYIDTGCORNPDN-UHFFFAOYSA-N 2 0 245.370 1.999 20 0 BDADRP C[NH+]1CCC2(CC[N@H+](CC3CC3)C2)CC1 ZINC000639758531 356668978 /nfs/dbraw/zinc/66/89/78/356668978.db2.gz UICFOXLZUCCEOJ-UHFFFAOYSA-N 2 0 208.349 1.814 20 0 BDADRP C[NH+](C)[C@@H]1CCCN(CCC[NH2+]C2CC2)C1 ZINC000084419520 538533191 /nfs/dbraw/zinc/53/31/91/538533191.db2.gz WPPDTDVKLVBLOK-CYBMUJFWSA-N 2 0 225.380 1.155 20 0 BDADRP CCc1cc(N2CCC([NH2+]CCO)CC2)cc[nH+]1 ZINC000450410321 202159123 /nfs/dbraw/zinc/15/91/23/202159123.db2.gz MLRJQRSERJAZJC-UHFFFAOYSA-N 2 0 249.358 1.195 20 0 BDADRP CCC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000450431564 202167070 /nfs/dbraw/zinc/16/70/70/202167070.db2.gz ZZIFKBORNBKRET-KBPBESRZSA-N 2 0 240.391 1.565 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC000578193618 366379660 /nfs/dbraw/zinc/37/96/60/366379660.db2.gz IRUWKYMBHVQAKB-UKKRHICBSA-N 2 0 202.317 1.983 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@H]2CCOC2)C1 ZINC000358232309 356863304 /nfs/dbraw/zinc/86/33/04/356863304.db2.gz UXGQAKZVKMDCLU-MJBXVCDLSA-N 2 0 240.391 1.733 20 0 BDADRP CC(C)[C@H]1CC[C@@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000353536559 538749931 /nfs/dbraw/zinc/74/99/31/538749931.db2.gz YDFINWMNEMECKM-OLZOCXBDSA-N 2 0 240.391 1.467 20 0 BDADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000041680201 358513284 /nfs/dbraw/zinc/51/32/84/358513284.db2.gz FHAMXZDZAAHRBN-GHMZBOCLSA-N 2 0 243.395 1.206 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156252152 538775132 /nfs/dbraw/zinc/77/51/32/538775132.db2.gz VOCCZUXRNFBRGP-BFHYXJOUSA-N 2 0 241.423 1.789 20 0 BDADRP CCCC[C@@H]([NH3+])C(=O)NCC[N@H+](C)[C@H](C)CC ZINC000300409379 357041206 /nfs/dbraw/zinc/04/12/06/357041206.db2.gz ZGAXGIOKAZGFNJ-VXGBXAGGSA-N 2 0 243.395 1.350 20 0 BDADRP CC[C@@H](C)C[N@H+](CC)C[C@](C)(O)C[NH2+]C ZINC000582306190 357043075 /nfs/dbraw/zinc/04/30/75/357043075.db2.gz FLXAQLXAMJNZSW-VXGBXAGGSA-N 2 0 216.369 1.325 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccnn1C ZINC000423255985 192654859 /nfs/dbraw/zinc/65/48/59/192654859.db2.gz BDVBUUJYSBSCAA-NEPJUHHUSA-N 2 0 236.363 1.460 20 0 BDADRP C[C@@H](CC[NH2+]CC1(O)CCC1)[NH+]1CCCCC1 ZINC000582416471 357138918 /nfs/dbraw/zinc/13/89/18/357138918.db2.gz WILGXPGSAXBNSL-ZDUSSCGKSA-N 2 0 240.391 1.756 20 0 BDADRP CSC[C@@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000399997673 357144976 /nfs/dbraw/zinc/14/49/76/357144976.db2.gz LITANOTYHFDMHO-MNOVXSKESA-N 2 0 214.378 1.423 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCCc2nccs2)C1 ZINC000391185255 357125359 /nfs/dbraw/zinc/12/53/59/357125359.db2.gz VWDWVHPODIWASR-QWRGUYRKSA-N 2 0 239.388 1.935 20 0 BDADRP CC[C@@H](CCO)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000156812336 538799112 /nfs/dbraw/zinc/79/91/12/538799112.db2.gz NLHMMBXGALZRNF-AAEUAGOBSA-N 2 0 228.380 1.467 20 0 BDADRP C[NH2+]CC1CC[NH+](C[C@H]2CCCC[C@H]2O)CC1 ZINC000393279851 357280388 /nfs/dbraw/zinc/28/03/88/357280388.db2.gz XQPUWNZQECOUJN-ZIAGYGMSSA-N 2 0 240.391 1.469 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+]C[C@@H]2CCSC2)cc1 ZINC000582486403 357318867 /nfs/dbraw/zinc/31/88/67/357318867.db2.gz LNAZKRJOFOMKKK-ZDUSSCGKSA-N 2 0 236.384 1.988 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC000582546433 357331511 /nfs/dbraw/zinc/33/15/11/357331511.db2.gz RNZGSPCIOTXDOX-DCAQKATOSA-N 2 0 200.326 1.128 20 0 BDADRP C[C@@H](O)[C@H](C)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000582541359 357340244 /nfs/dbraw/zinc/34/02/44/357340244.db2.gz AAUVFJIHPRUIQA-NWDGAFQWSA-N 2 0 228.380 1.467 20 0 BDADRP CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000582666816 357358987 /nfs/dbraw/zinc/35/89/87/357358987.db2.gz GTPBSGIKGTTXBW-MNOVXSKESA-N 2 0 222.332 1.658 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C(=O)NCCC[NH+](C)C)cc1 ZINC000423298867 192686876 /nfs/dbraw/zinc/68/68/76/192686876.db2.gz PATKRGZPUHMNED-LLVKDONJSA-N 2 0 249.358 1.388 20 0 BDADRP C[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)C[C@H](C)O ZINC000157751121 538837600 /nfs/dbraw/zinc/83/76/00/538837600.db2.gz VARWCTFWWKYXPZ-AGIUHOORSA-N 2 0 242.407 1.713 20 0 BDADRP COCC1(C[NH2+][C@@H]2C[C@H](C)[C@@H]2C)CC[NH2+]CC1 ZINC000386283104 357402622 /nfs/dbraw/zinc/40/26/22/357402622.db2.gz RKIPRHYLKBZKHC-RWMBFGLXSA-N 2 0 240.391 1.637 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H](CO)C1CCCCC1 ZINC000395215242 357428368 /nfs/dbraw/zinc/42/83/68/357428368.db2.gz KFFDIYHSECESNN-DGCLKSJQSA-N 2 0 228.380 1.645 20 0 BDADRP CC(C)C[C@@H]([NH3+])c1noc(CCCC[NH3+])n1 ZINC000582963958 357440297 /nfs/dbraw/zinc/44/02/97/357440297.db2.gz DAZOVPMKWWDVOJ-SECBINFHSA-N 2 0 226.324 1.397 20 0 BDADRP Cc1nccnc1CC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000583078291 357473617 /nfs/dbraw/zinc/47/36/17/357473617.db2.gz LGZJFPHNNBXXMF-GXTWGEPZSA-N 2 0 248.374 1.435 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1CC(C)C ZINC000396822194 357484549 /nfs/dbraw/zinc/48/45/49/357484549.db2.gz CMROZPUUGLZAST-KGLIPLIRSA-N 2 0 242.407 1.810 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCc2ccn(C)n2)CC[N@@H+]1C ZINC000230898259 357577956 /nfs/dbraw/zinc/57/79/56/357577956.db2.gz WKWUASWJAZLGAA-WCQYABFASA-N 2 0 236.363 1.035 20 0 BDADRP CCC(CC)[C@@H](O)C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000230479259 357525765 /nfs/dbraw/zinc/52/57/65/357525765.db2.gz VASLZAAJWNIYEP-AAEUAGOBSA-N 2 0 228.380 1.373 20 0 BDADRP COC1CC([NH2+]C2CC[NH+](C(C)C)CC2)C1 ZINC000230690701 357550479 /nfs/dbraw/zinc/55/04/79/357550479.db2.gz RJMASTKMVXSSRM-UHFFFAOYSA-N 2 0 226.364 1.626 20 0 BDADRP C[C@H]([NH2+]Cc1ccn(C)c1)C1CC[NH+](C)CC1 ZINC000158586309 538865387 /nfs/dbraw/zinc/86/53/87/538865387.db2.gz LUYHAHYYMUGZLQ-LBPRGKRZSA-N 2 0 235.375 1.845 20 0 BDADRP CCCCOCC[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231671030 357618557 /nfs/dbraw/zinc/61/85/57/357618557.db2.gz RLCHHAYLUXDEFD-ZDUSSCGKSA-N 2 0 228.380 1.877 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H](CO)C(C)C)CC1 ZINC000086120308 357854370 /nfs/dbraw/zinc/85/43/70/357854370.db2.gz ZBAWKALKOYMWHS-ZDUSSCGKSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@@H]1CN(C)CC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000235479076 357871272 /nfs/dbraw/zinc/87/12/72/357871272.db2.gz DOALNLRSWXMMOR-OLZOCXBDSA-N 2 0 225.380 1.012 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN(C)C[C@@H]1CCC[N@@H+]1C ZINC000086189471 357871813 /nfs/dbraw/zinc/87/18/13/357871813.db2.gz UHFOCANZFIPYJG-OLZOCXBDSA-N 2 0 227.396 1.386 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1csnn1 ZINC000398221590 357877113 /nfs/dbraw/zinc/87/71/13/357877113.db2.gz CPOVGWNVRFESRC-MRVPVSSYSA-N 2 0 226.349 1.188 20 0 BDADRP C[NH2+]C[C@](C)(O)C[NH2+][C@@H]1CCCC1(C)C ZINC000584415530 357915529 /nfs/dbraw/zinc/91/55/29/357915529.db2.gz MQBFWHJYEGGUBL-PWSUYJOCSA-N 2 0 214.353 1.125 20 0 BDADRP C[C@]1(C(=O)Nc2ccc3c(c2)C[NH2+]C3)CCC[NH2+]1 ZINC000583742291 357932683 /nfs/dbraw/zinc/93/26/83/357932683.db2.gz DVFYQIBSRPCJEU-CQSZACIVSA-N 2 0 245.326 1.370 20 0 BDADRP CC(C)[C@@H](c1nc(C2([NH3+])CCC2)no1)[C@H](C)[NH3+] ZINC000584469457 357989708 /nfs/dbraw/zinc/98/97/08/357989708.db2.gz GEGNOACNLCUALP-DTWKUNHWSA-N 2 0 238.335 1.494 20 0 BDADRP CC(C)C[C@H]([NH3+])c1noc([C@H](C)[C@H](C)[NH3+])n1 ZINC000584529129 358041829 /nfs/dbraw/zinc/04/18/29/358041829.db2.gz RMDKKZLEHLXXRA-VGMNWLOBSA-N 2 0 226.324 1.566 20 0 BDADRP C(C[NH+]1CCCCC1)N[C@@H]1CCC[NH2+]CC1 ZINC000168739572 134247665 /nfs/dbraw/zinc/24/76/65/134247665.db2.gz GWPUMVPYUBYSRG-CYBMUJFWSA-N 2 0 225.380 1.204 20 0 BDADRP C[C@@H](CN[C@@H]1CCC[NH2+]CC1)[N@H+](C)C1CC1 ZINC000217536396 134248511 /nfs/dbraw/zinc/24/85/11/134248511.db2.gz YUYHNMXRYUNXOX-NWDGAFQWSA-N 2 0 225.380 1.201 20 0 BDADRP CN1CCC[C@H]1C[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000220938268 358063300 /nfs/dbraw/zinc/06/33/00/358063300.db2.gz KKNUVNWJHGQVAP-KGLIPLIRSA-N 2 0 239.407 1.402 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)C1 ZINC000583882660 358118110 /nfs/dbraw/zinc/11/81/10/358118110.db2.gz OWUONGRVVXXLFZ-FRRDWIJNSA-N 3 0 225.380 1.378 20 0 BDADRP CCC[N@H+](CC)C[C@@H](C)N[C@@H]1C[NH+](C)C[C@H]1C ZINC000584867929 358208019 /nfs/dbraw/zinc/20/80/19/358208019.db2.gz ORMHYOQULKTYON-MGPQQGTHSA-N 2 0 241.423 1.647 20 0 BDADRP C[C@H](Cn1ccnc1)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000222960887 358216233 /nfs/dbraw/zinc/21/62/33/358216233.db2.gz VSTDPPHDIZVPOP-UTUOFQBUSA-N 2 0 222.336 1.131 20 0 BDADRP COC[C@H](C)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000225714873 358332215 /nfs/dbraw/zinc/33/22/15/358332215.db2.gz LCXXFTUKXPZAJV-YVECIDJPSA-N 2 0 226.364 1.328 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000226330613 358337010 /nfs/dbraw/zinc/33/70/10/358337010.db2.gz XQEWHBHTGFVYIV-CHWSQXEVSA-N 2 0 227.396 1.576 20 0 BDADRP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)C[C@H](C)S1 ZINC000226670108 358342641 /nfs/dbraw/zinc/34/26/41/358342641.db2.gz IQBNLJRJNPAIIW-TUAOUCFPSA-N 2 0 228.405 1.812 20 0 BDADRP Cc1nn(C)cc1CN1CC[C@@H]([NH3+])C[C@H]1C ZINC000228328848 358373881 /nfs/dbraw/zinc/37/38/81/358373881.db2.gz JEJKDUKKJBNMBE-BXKDBHETSA-N 2 0 222.336 1.040 20 0 BDADRP COC[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)C1CC1 ZINC000090717927 491129594 /nfs/dbraw/zinc/12/95/94/491129594.db2.gz ARSCOEOJDPTUQR-SMDDNHRTSA-N 2 0 240.391 1.731 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccno3)C[C@H]21 ZINC000228474571 358375692 /nfs/dbraw/zinc/37/56/92/358375692.db2.gz RIYWGXPNENGPIK-MVWJERBFSA-N 2 0 221.304 1.234 20 0 BDADRP COC1CC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000219299743 134277197 /nfs/dbraw/zinc/27/71/97/134277197.db2.gz NTYKRDFNCCTRQQ-ACDMLXGOSA-N 2 0 224.348 1.379 20 0 BDADRP CC[NH+]1CCN([C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000107369855 358438934 /nfs/dbraw/zinc/43/89/34/358438934.db2.gz VZMIMCUYLRWHHV-AWEZNQCLSA-N 2 0 239.407 1.354 20 0 BDADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1cncs1 ZINC000219320964 134281617 /nfs/dbraw/zinc/28/16/17/134281617.db2.gz WWCNNLUWTOQSRA-SNVBAGLBSA-N 2 0 243.376 1.372 20 0 BDADRP C[C@@H]1CN(CC=C(Cl)Cl)CC[C@H]1[NH3+] ZINC000403313190 358567403 /nfs/dbraw/zinc/56/74/03/358567403.db2.gz ATJUCKHAVOHHTG-HTQZYQBOSA-N 2 0 223.147 1.975 20 0 BDADRP CCCCOCC[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000049264131 358678503 /nfs/dbraw/zinc/67/85/03/358678503.db2.gz QZZQZFBKCOWWGV-ZDUSSCGKSA-N 2 0 228.380 1.735 20 0 BDADRP CCOC(=O)CCCCC[N@@H+]1CCC[C@H]1CN ZINC000131859547 358697814 /nfs/dbraw/zinc/69/78/14/358697814.db2.gz SRRWCBVAVNXQBC-LBPRGKRZSA-N 2 0 242.363 1.533 20 0 BDADRP Cc1cc(CN(C)CC[C@@H]([NH3+])C(C)C)no1 ZINC000133297218 358749904 /nfs/dbraw/zinc/74/99/04/358749904.db2.gz IGDQJDKKOITSDP-GFCCVEGCSA-N 2 0 225.336 1.788 20 0 BDADRP CCC[C@H](O)C[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000133603502 358761746 /nfs/dbraw/zinc/76/17/46/358761746.db2.gz QCENCAPVWGGPMM-GVXVVHGQSA-N 2 0 226.364 1.362 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@H](O)C(C)C)CC1 ZINC000133714664 358766621 /nfs/dbraw/zinc/76/66/21/358766621.db2.gz IUBOSTPUGVJWPB-ZDUSSCGKSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)C1CCOCC1 ZINC000132180278 358709588 /nfs/dbraw/zinc/70/95/88/358709588.db2.gz FXGUQEBOFHTXCS-LBPRGKRZSA-N 2 0 242.407 1.979 20 0 BDADRP CCOC[C@@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000132247147 358713956 /nfs/dbraw/zinc/71/39/56/358713956.db2.gz PKSHNVZJAQNWFH-CYBMUJFWSA-N 2 0 228.380 1.877 20 0 BDADRP CCC[C@H](CC)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000050403926 358729414 /nfs/dbraw/zinc/72/94/14/358729414.db2.gz AGIJJEYFSKJXCT-STQMWFEESA-N 2 0 228.380 1.611 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CCn2cccn2)[C@H](C)C1 ZINC000134076646 358779145 /nfs/dbraw/zinc/77/91/45/358779145.db2.gz CNRNDYLSULFQQC-OLZOCXBDSA-N 2 0 236.363 1.203 20 0 BDADRP CC[NH+]1CCC([NH2+]CC2(OC)CCC2)CC1 ZINC000134714064 358802818 /nfs/dbraw/zinc/80/28/18/358802818.db2.gz SEZMBWNWUSIBHB-UHFFFAOYSA-N 2 0 226.364 1.629 20 0 BDADRP C[N@@H+]1CCCN(CCC[NH2+]C2CCCC2)CC1 ZINC000053498899 358829637 /nfs/dbraw/zinc/82/96/37/358829637.db2.gz KLBFDMMMZSGPGX-UHFFFAOYSA-N 2 0 239.407 1.546 20 0 BDADRP CC(C)OCCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000086402471 358966795 /nfs/dbraw/zinc/96/67/95/358966795.db2.gz NIWHVBPBRHKTPM-RYUDHWBXSA-N 2 0 214.353 1.661 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000086403881 358968465 /nfs/dbraw/zinc/96/84/65/358968465.db2.gz FAUSWNJMBSFIQZ-VXGBXAGGSA-N 3 0 213.369 1.188 20 0 BDADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)C1CC1 ZINC000177294215 134299501 /nfs/dbraw/zinc/29/95/01/134299501.db2.gz VCTICPWSKPFMSZ-QWHCGFSZSA-N 2 0 239.407 1.258 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CCO1 ZINC000070356996 359051560 /nfs/dbraw/zinc/05/15/60/359051560.db2.gz UVFMYKFGSFMWDN-FRRDWIJNSA-N 2 0 238.375 1.628 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000069858064 359034823 /nfs/dbraw/zinc/03/48/23/359034823.db2.gz BNQPMUFJMMTNFP-STQMWFEESA-N 2 0 228.380 1.875 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)CCO1 ZINC000069890411 359035960 /nfs/dbraw/zinc/03/59/60/359035960.db2.gz DHHVQMZUOLPQRY-DGCLKSJQSA-N 2 0 226.364 1.485 20 0 BDADRP [NH3+]CCCC[NH2+][C@H]1CCc2ccccc2OC1 ZINC000423318867 192704499 /nfs/dbraw/zinc/70/44/99/192704499.db2.gz DWQBVPRZMXDWET-ZDUSSCGKSA-N 2 0 234.343 1.709 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](COC)C2CC2)C1 ZINC000246445586 359090096 /nfs/dbraw/zinc/09/00/96/359090096.db2.gz OEWDKMXAAWOSJK-DGCLKSJQSA-N 2 0 226.364 1.343 20 0 BDADRP C[NH+](C)[C@@H]1CCCN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000246678245 359156715 /nfs/dbraw/zinc/15/67/15/359156715.db2.gz GCZIDCWGIBDUCF-UONOGXRCSA-N 2 0 239.407 1.497 20 0 BDADRP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000423403269 192744848 /nfs/dbraw/zinc/74/48/48/192744848.db2.gz RYWWZUTYGQIVHP-RFGFWPKPSA-N 2 0 240.391 1.779 20 0 BDADRP COCC1(C[NH2+][C@H](C)[C@H]2C[C@@H]2C)CC[NH2+]CC1 ZINC000423413360 192748758 /nfs/dbraw/zinc/74/87/58/192748758.db2.gz YZRCIUDGBKBQTO-XQQFMLRXSA-N 2 0 240.391 1.637 20 0 BDADRP C[C@H](NCc1ccc2c(c1)C[NH2+]C2)[C@H]1CCC[NH2+]1 ZINC000423387446 192761661 /nfs/dbraw/zinc/76/16/61/192761661.db2.gz MURRADBSURACRK-XHDPSFHLSA-N 2 0 245.370 1.520 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623443755 359333460 /nfs/dbraw/zinc/33/34/60/359333460.db2.gz MDVHRWZLSKBJBZ-OLZOCXBDSA-N 2 0 242.407 1.857 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC000423498286 192794733 /nfs/dbraw/zinc/79/47/33/192794733.db2.gz GRSITSBLPVBBSN-RNJOBUHISA-N 3 0 225.380 1.234 20 0 BDADRP Cc1nn(C)cc1[C@@H](C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423546115 192810745 /nfs/dbraw/zinc/81/07/45/192810745.db2.gz YRLPTMKHLRTVSK-LLVKDONJSA-N 2 0 248.374 1.689 20 0 BDADRP Cc1nccn1CCCN(C)Cc1ncc[nH]1 ZINC000580460619 359566915 /nfs/dbraw/zinc/56/69/15/359566915.db2.gz ZFPJQELNJWORJU-UHFFFAOYSA-N 2 0 233.319 1.437 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@@H]2CCCCO2)CC1 ZINC000084585616 359810600 /nfs/dbraw/zinc/81/06/00/359810600.db2.gz GKOLXZHCZJBVNN-ZDUSSCGKSA-N 2 0 226.364 1.629 20 0 BDADRP C[C@@H](c1nc(C2([NH3+])CCCC2)no1)[C@H](C)[NH3+] ZINC000578531699 366592448 /nfs/dbraw/zinc/59/24/48/366592448.db2.gz NCFQWAOQGCEUER-SFYZADRCSA-N 2 0 224.308 1.248 20 0 BDADRP CN(Cc1cccc(O)c1)C1CC[NH2+]CC1 ZINC000087179276 359900127 /nfs/dbraw/zinc/90/01/27/359900127.db2.gz AAKPMJRWEODSSC-UHFFFAOYSA-N 2 0 220.316 1.576 20 0 BDADRP F[C@@H]1CCN(C/C=C/CN2CC[C@@H](F)C2)C1 ZINC000451196391 202375640 /nfs/dbraw/zinc/37/56/40/202375640.db2.gz MSLWEWWKKAPZAY-NUYITTKVSA-N 2 0 230.302 1.630 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@H](F)C1 ZINC000451198779 202378737 /nfs/dbraw/zinc/37/87/37/202378737.db2.gz PXBDPYRUPGLEHX-NSHDSACASA-N 2 0 202.317 1.762 20 0 BDADRP OCC[N@H+](CC1CC[NH2+]CC1)C1CCCC1 ZINC000087647844 359922555 /nfs/dbraw/zinc/92/25/55/359922555.db2.gz MQCIRMUETNBKHH-UHFFFAOYSA-N 2 0 226.364 1.223 20 0 BDADRP C(C[NH+]1CCCCC1)OCC[NH+]1CCCCC1 ZINC000139297811 325563032 /nfs/dbraw/zinc/56/30/32/325563032.db2.gz BGCIQVDCELLTFR-UHFFFAOYSA-N 2 0 240.391 1.975 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1ccccn1 ZINC000089139533 359991963 /nfs/dbraw/zinc/99/19/63/359991963.db2.gz QCQYJKVQQQKFPC-OCCSQVGLSA-N 2 0 233.359 1.731 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1NCCC[NH+]1CCCC1 ZINC000089140142 359992906 /nfs/dbraw/zinc/99/29/06/359992906.db2.gz RLMMKGXGAVDKTE-ZIAGYGMSSA-N 2 0 239.407 1.579 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1NCCC[NH+]1CCCCC1 ZINC000089147732 359993916 /nfs/dbraw/zinc/99/39/16/359993916.db2.gz IPFOZEKAYJUQQA-ZIAGYGMSSA-N 2 0 239.407 1.579 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@]1(C)CCCO1 ZINC000094797366 360318180 /nfs/dbraw/zinc/31/81/80/360318180.db2.gz UADRXLOMCHJAKD-MQYQWHSLSA-N 2 0 240.391 1.874 20 0 BDADRP CC[C@@H](CCO)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000094949308 360328443 /nfs/dbraw/zinc/32/84/43/360328443.db2.gz WFNIQGLJKAFTGN-ZDUSSCGKSA-N 2 0 242.407 1.857 20 0 BDADRP CC(C)[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000098143679 360390104 /nfs/dbraw/zinc/39/01/04/360390104.db2.gz UOVGQEOUUKKNIX-KBPBESRZSA-N 2 0 242.407 1.713 20 0 BDADRP CSC1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000300829050 360524385 /nfs/dbraw/zinc/52/43/85/360524385.db2.gz JYJXQPKTNWDFCN-JTQLQIEISA-N 2 0 214.378 1.423 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000631198921 360760796 /nfs/dbraw/zinc/76/07/96/360760796.db2.gz MWFJXJAOOCQSCP-HZSPNIEDSA-N 2 0 240.391 1.754 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000449126714 200658932 /nfs/dbraw/zinc/65/89/32/200658932.db2.gz VNJQDZHJDGRKRC-WOPDTQHZSA-N 2 0 241.379 1.008 20 0 BDADRP C(C[C@H]1CCC[NH2+]1)[NH2+]C[C@H]1CCCOC1 ZINC000414899456 200777779 /nfs/dbraw/zinc/77/77/79/200777779.db2.gz BYOBSOQGWSOCBG-VXGBXAGGSA-N 2 0 212.337 1.145 20 0 BDADRP C[C@H]1CCCC[C@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629388736 361035617 /nfs/dbraw/zinc/03/56/17/361035617.db2.gz WMZBNGQWFOQCQS-NWDGAFQWSA-N 2 0 226.364 1.663 20 0 BDADRP Cc1ccc(C[NH2+]CCOCCC[NH3+])cc1F ZINC000629398787 361048669 /nfs/dbraw/zinc/04/86/69/361048669.db2.gz HSQFCLMNVQPXRN-UHFFFAOYSA-N 2 0 240.322 1.589 20 0 BDADRP CC[C@@H]1CCC[C@@H]([NH2+]CCOCC[NH2+]C)C1 ZINC000629404462 361050021 /nfs/dbraw/zinc/05/00/21/361050021.db2.gz NUIREOJJBIMSLK-CHWSQXEVSA-N 2 0 228.380 1.781 20 0 BDADRP [NH3+]CCCOCC[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000629400238 361051032 /nfs/dbraw/zinc/05/10/32/361051032.db2.gz QYKWXNNKHBCHMM-KGLIPLIRSA-N 2 0 240.391 1.910 20 0 BDADRP CC1(C)CCC[C@H]([NH2+]CCOCCC[NH3+])C1 ZINC000629399568 361051111 /nfs/dbraw/zinc/05/11/11/361051111.db2.gz VATIOYTZCFUAMP-LBPRGKRZSA-N 2 0 228.380 1.910 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H](C)CC1CCOCC1 ZINC000629404855 361054620 /nfs/dbraw/zinc/05/46/20/361054620.db2.gz ROMPADDQLYRVCL-GFCCVEGCSA-N 2 0 244.379 1.017 20 0 BDADRP COC[C@H](CC(C)C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629521707 361117931 /nfs/dbraw/zinc/11/79/31/361117931.db2.gz RUHBIPJCRKCLBK-LBPRGKRZSA-N 2 0 244.379 1.145 20 0 BDADRP FCC[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000629502183 361102623 /nfs/dbraw/zinc/10/26/23/361102623.db2.gz UXIZGNYLTKUXRX-LBPRGKRZSA-N 2 0 230.327 1.046 20 0 BDADRP CCO[C@H](C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1)C1CC1 ZINC000629509368 361103075 /nfs/dbraw/zinc/10/30/75/361103075.db2.gz DKVMSEQDUOPGRR-RAIGVLPGSA-N 2 0 226.364 1.471 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CC[C@H]1CCCOC1 ZINC000629510935 361108883 /nfs/dbraw/zinc/10/88/83/361108883.db2.gz YCDNRPUZTNCHLK-CHWSQXEVSA-N 2 0 228.380 1.910 20 0 BDADRP CCC[C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])OCC ZINC000629515387 361113855 /nfs/dbraw/zinc/11/38/55/361113855.db2.gz QXLLCWNUXCUWPN-QJPTWQEYSA-N 2 0 216.369 1.907 20 0 BDADRP CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1CC)[C@H]1CCOC1 ZINC000629526219 361128478 /nfs/dbraw/zinc/12/84/78/361128478.db2.gz NOIOIADRZVUWIX-QNWHQSFQSA-N 2 0 226.364 1.532 20 0 BDADRP CCO[C@@H](C[NH+]1CCC(C)([NH3+])CC1)C1CC1 ZINC000629527589 361130352 /nfs/dbraw/zinc/13/03/52/361130352.db2.gz ZPPHAEAPFKEJPY-LBPRGKRZSA-N 2 0 226.364 1.615 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000629528472 361136712 /nfs/dbraw/zinc/13/67/12/361136712.db2.gz ZTCXSLYAPONCEO-ZDEQEGDKSA-N 2 0 225.380 1.247 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000629528891 361137998 /nfs/dbraw/zinc/13/79/98/361137998.db2.gz MLBJTYLRZGPXCI-OAHLLOKOSA-N 2 0 248.370 1.808 20 0 BDADRP Nc1ncccc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000629529011 361138655 /nfs/dbraw/zinc/13/86/55/361138655.db2.gz PEZRNLCYZLHMOY-NSHDSACASA-N 2 0 234.347 1.225 20 0 BDADRP CC[C@H]([NH2+]CCOCC[NH2+]C)c1ccccc1 ZINC000629529169 361138736 /nfs/dbraw/zinc/13/87/36/361138736.db2.gz UIBBOLNCBIMBGB-AWEZNQCLSA-N 2 0 236.359 1.963 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H](C)c1cc(C)oc1C ZINC000629529813 361140622 /nfs/dbraw/zinc/14/06/22/361140622.db2.gz NIZBOAISPTYTIN-LLVKDONJSA-N 2 0 240.347 1.783 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+]CCOCC[NH2+]C)C1(C)C ZINC000629529905 361141821 /nfs/dbraw/zinc/14/18/21/361141821.db2.gz QEZZHPFZLDFBFC-RYUDHWBXSA-N 2 0 244.379 1.016 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CCC12CCC2 ZINC000629530590 361144475 /nfs/dbraw/zinc/14/44/75/361144475.db2.gz KUPIMOHZUASNSB-LLVKDONJSA-N 2 0 212.337 1.145 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000629530324 361144620 /nfs/dbraw/zinc/14/46/20/361144620.db2.gz CQBSPJAJOPGZLF-CHWSQXEVSA-N 2 0 226.364 1.391 20 0 BDADRP CC[C@H]([NH2+]CC1([NH3+])CCOCC1)C1CC1 ZINC000629522386 361123625 /nfs/dbraw/zinc/12/36/25/361123625.db2.gz YVDJLVTVDKPTMT-NSHDSACASA-N 2 0 212.337 1.273 20 0 BDADRP CC(C)CC[C@@H](CO)[NH2+][C@H](C)CCCC[NH3+] ZINC000629525351 361125556 /nfs/dbraw/zinc/12/55/56/361125556.db2.gz XWWOSZNCVKWUNP-OLZOCXBDSA-N 2 0 230.396 1.891 20 0 BDADRP CCSCC[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000158578508 361205427 /nfs/dbraw/zinc/20/54/27/361205427.db2.gz AKWSTVFHFIXRPW-NXEZZACHSA-N 2 0 202.367 1.409 20 0 BDADRP COCCCC[N@H+](C)C1CC[NH2+]CC1 ZINC000158502811 361200777 /nfs/dbraw/zinc/20/07/77/361200777.db2.gz SGBNOVCBRBDNHN-UHFFFAOYSA-N 2 0 200.326 1.097 20 0 BDADRP C[NH2+]C[C@@H]1CCCN1CCCCOC ZINC000158524751 361202047 /nfs/dbraw/zinc/20/20/47/361202047.db2.gz QZOJXPXFKAKIGF-NSHDSACASA-N 2 0 200.326 1.097 20 0 BDADRP CCSCC[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000158567518 361204221 /nfs/dbraw/zinc/20/42/21/361204221.db2.gz HMOPAZVEBSLSED-SNVBAGLBSA-N 2 0 202.367 1.410 20 0 BDADRP CCC[N@H+](CC)C[C@@H](C)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000579005275 366694243 /nfs/dbraw/zinc/69/42/43/366694243.db2.gz UGURLOVPAYJQMJ-HZSPNIEDSA-N 2 0 241.423 1.966 20 0 BDADRP C[C@H](O)CC[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640534054 361303071 /nfs/dbraw/zinc/30/30/71/361303071.db2.gz JZXWTNJKSYDFMX-AWEZNQCLSA-N 2 0 242.407 1.955 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]CC[C@H](C)[NH3+])C1 ZINC000622044521 370672722 /nfs/dbraw/zinc/67/27/22/370672722.db2.gz JAWHPTUBKKXMET-GARJFASQSA-N 2 0 200.326 1.271 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CC1(F)F ZINC000622044243 370675618 /nfs/dbraw/zinc/67/56/18/370675618.db2.gz ZSZNCRIUGXLPEY-HLTSFMKQSA-N 2 0 204.264 1.501 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CC1CC(C)C1 ZINC000622044754 370676910 /nfs/dbraw/zinc/67/69/10/370676910.db2.gz RFZXJESLQCMYMG-MCIGGMRASA-N 2 0 214.353 1.376 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+]CC[C@H](C)[NH3+])C1(C)C ZINC000622045149 370678424 /nfs/dbraw/zinc/67/84/24/370678424.db2.gz DJEGGWAAHCEMMQ-AXFHLTTASA-N 2 0 214.353 1.517 20 0 BDADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC000622044990 370678838 /nfs/dbraw/zinc/67/88/38/370678838.db2.gz ZLVCZAUAKRZKFB-VHSXEESVSA-N 3 0 236.363 1.237 20 0 BDADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC1([NH3+])CCCCC1 ZINC000428488172 201025358 /nfs/dbraw/zinc/02/53/58/201025358.db2.gz YZRCUVPLCXPJRV-QWRGUYRKSA-N 2 0 241.379 1.138 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+]CC[C@H](C)[NH3+])C12CCC2 ZINC000622045344 370680273 /nfs/dbraw/zinc/68/02/73/370680273.db2.gz OCGYXMWBMMWAOU-SRVKXCTJSA-N 2 0 226.364 1.661 20 0 BDADRP CC[NH2+]CCCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC000579235883 366742407 /nfs/dbraw/zinc/74/24/07/366742407.db2.gz MMDIGWHNSMPAGG-GFCCVEGCSA-N 2 0 243.395 1.223 20 0 BDADRP CCOC1CC([NH2+]CCN(C)CC)C1 ZINC000162847217 361367778 /nfs/dbraw/zinc/36/77/78/361367778.db2.gz OTVUUONBBRZKFF-UHFFFAOYSA-N 2 0 200.326 1.095 20 0 BDADRP C[N@H+](CC[C@H]1CCC[NH+]1C)C1(CO)CCC1 ZINC000429233532 201080543 /nfs/dbraw/zinc/08/05/43/201080543.db2.gz MLRGLOMPZNIYBR-GFCCVEGCSA-N 2 0 226.364 1.318 20 0 BDADRP Cc1cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)n(C)n1 ZINC000579252024 366748661 /nfs/dbraw/zinc/74/86/61/366748661.db2.gz QTAKTJQWKVRHBI-WDEREUQCSA-N 2 0 222.336 1.088 20 0 BDADRP C/C=C/C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000629537070 361400199 /nfs/dbraw/zinc/40/01/99/361400199.db2.gz JOWDTNRQAFLIMI-KJOZOPHSSA-N 2 0 224.348 1.309 20 0 BDADRP CCO[C@@H](C[NH2+][C@H]1CC[NH2+]CC1(C)C)C1CC1 ZINC000629537707 361400837 /nfs/dbraw/zinc/40/08/37/361400837.db2.gz PVAUUQYKQKGCME-STQMWFEESA-N 2 0 240.391 1.779 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000629538888 361403670 /nfs/dbraw/zinc/40/36/70/361403670.db2.gz PXKARIHQPJBVRS-BNDIWNMDSA-N 2 0 244.379 1.142 20 0 BDADRP CC[C@@H]1CCC[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629535888 361410756 /nfs/dbraw/zinc/41/07/56/361410756.db2.gz FLFPKRHPBCRUSN-VXGBXAGGSA-N 2 0 214.353 1.520 20 0 BDADRP C[C@H](O)CCC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429560506 201115818 /nfs/dbraw/zinc/11/58/18/201115818.db2.gz ZHVXYBQCALZFQP-STQMWFEESA-N 2 0 228.380 1.564 20 0 BDADRP C[C@H]([NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1)C1C[NH2+]C1 ZINC000629540523 361414416 /nfs/dbraw/zinc/41/44/16/361414416.db2.gz VEWPITPHBLMRBA-KQXIARHKSA-N 2 0 208.349 1.620 20 0 BDADRP CC[C@@H]([NH2+]CCOCCC[NH3+])C1CCC1 ZINC000629540613 361415164 /nfs/dbraw/zinc/41/51/64/361415164.db2.gz VSJIKHNZMAQMDX-GFCCVEGCSA-N 2 0 214.353 1.520 20 0 BDADRP C(C1CC1)[NH+]1CCC(N[C@@H]2CCC[NH2+]C2)CC1 ZINC000579448453 366803774 /nfs/dbraw/zinc/80/37/74/366803774.db2.gz LZKDWBXLWVENCT-CQSZACIVSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@@H]([NH2+]CCOCCC[NH3+])[C@@H]1CC1(C)C ZINC000629534490 361407195 /nfs/dbraw/zinc/40/71/95/361407195.db2.gz ADXPHZCUSVSZKE-MNOVXSKESA-N 2 0 214.353 1.376 20 0 BDADRP C[C@@H](N[C@H]1CC[C@@H](C)[NH2+]C1)[C@H]1CCCC[NH2+]1 ZINC000629540170 361407408 /nfs/dbraw/zinc/40/74/08/361407408.db2.gz NUSKBDNUIIQICJ-FVCCEPFGSA-N 2 0 225.380 1.247 20 0 BDADRP CC[C@H]1CCCC[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629539598 361407426 /nfs/dbraw/zinc/40/74/26/361407426.db2.gz QKBKPZQWAKPWOK-STQMWFEESA-N 2 0 228.380 1.910 20 0 BDADRP CC[N@@H+]1CC[C@H](N[C@@H]2CC[C@H](C)[NH2+]C2)[C@@H](C)C1 ZINC000629540994 361415489 /nfs/dbraw/zinc/41/54/89/361415489.db2.gz ZLGGRXFZBWPOFW-FQUUOJAGSA-N 3 0 239.407 1.447 20 0 BDADRP COCC[C@@H]1CCC[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629534896 361408961 /nfs/dbraw/zinc/40/89/61/361408961.db2.gz AYPSBOURKPZOCJ-QWHCGFSZSA-N 2 0 244.379 1.147 20 0 BDADRP C[C@@H]1CC[C@H](N[C@@H]2CC[NH2+]CC[C@H]2C)C[NH2+]1 ZINC000629535688 361409488 /nfs/dbraw/zinc/40/94/88/361409488.db2.gz CZDBUQXXRBWGOX-FVCCEPFGSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CC[NH2+][C@H]1C ZINC000629544272 361422891 /nfs/dbraw/zinc/42/28/91/361422891.db2.gz HEVUVWYCWDGWNG-ZOBORPQBSA-N 2 0 239.407 1.637 20 0 BDADRP C[NH2+]CCC[N@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000629545883 361426842 /nfs/dbraw/zinc/42/68/42/361426842.db2.gz AMWQSKGITBRJGG-AOOOYVTPSA-N 2 0 220.307 1.819 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc[nH]c1=O ZINC000629547485 361430329 /nfs/dbraw/zinc/43/03/29/361430329.db2.gz TXXBQVBSUCZVDT-KOLCDFICSA-N 2 0 221.304 1.004 20 0 BDADRP C[N@@H+]1CCC[C@H]1CN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000629548112 361432418 /nfs/dbraw/zinc/43/24/18/361432418.db2.gz CXBHBOLGZQBFBY-RWMBFGLXSA-N 2 0 225.380 1.330 20 0 BDADRP O=c1[nH]cccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000629548144 361433400 /nfs/dbraw/zinc/43/34/00/361433400.db2.gz WFAXMQPPIWLORX-RAIGVLPGSA-N 2 0 247.342 1.265 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)[C@@H]1CCOC1 ZINC000629548519 361434425 /nfs/dbraw/zinc/43/44/25/361434425.db2.gz POCYDBMFNYFOOQ-WHOHXGKFSA-N 2 0 212.337 1.142 20 0 BDADRP CC[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+][C@H]2C)[C@H](C)C1 ZINC000629548529 361434617 /nfs/dbraw/zinc/43/46/17/361434617.db2.gz PTNUQWNZLLQLKZ-MROQNXINSA-N 2 0 225.380 1.057 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000629554643 361439896 /nfs/dbraw/zinc/43/98/96/361439896.db2.gz LOYASJNASNJWHI-QSLWVIQJSA-N 2 0 238.375 1.389 20 0 BDADRP C[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)C[C@H](C)C1(F)F ZINC000629553723 361440220 /nfs/dbraw/zinc/44/02/20/361440220.db2.gz XFEAQJNZPUDREV-OUAUKWLOSA-N 2 0 232.318 1.819 20 0 BDADRP C[C@H]1C[C@H]1CN1CC2CCC1(C[NH3+])CC2 ZINC000629549635 361441871 /nfs/dbraw/zinc/44/18/71/361441871.db2.gz SWSYMWHNIMHOTR-QCXCNERSSA-N 2 0 208.349 1.846 20 0 BDADRP [NH3+][C@H]1C[C@H](N[C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000629555604 361447014 /nfs/dbraw/zinc/44/70/14/361447014.db2.gz YXWXOGOOMSBLPT-ICCXJUOJSA-N 2 0 217.316 1.083 20 0 BDADRP CC[C@@H](C)[C@@H](C)[NH2+]CCOCCC[NH3+] ZINC000629542070 361417796 /nfs/dbraw/zinc/41/77/96/361417796.db2.gz XUJYXLKBWMLHQW-GHMZBOCLSA-N 2 0 202.342 1.376 20 0 BDADRP CC[C@H](N[C@H]1CC[C@@H](C)[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000629542373 361419623 /nfs/dbraw/zinc/41/96/23/361419623.db2.gz YDRTYBVHMWTNOX-VOAKCMCISA-N 2 0 225.380 1.247 20 0 BDADRP CCC[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629564492 361459463 /nfs/dbraw/zinc/45/94/63/361459463.db2.gz LNBAQWNDAKEFFC-IUCAKERBSA-N 2 0 224.270 1.856 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)CC1CCCC1 ZINC000629571871 361463809 /nfs/dbraw/zinc/46/38/09/361463809.db2.gz RUEMOVYHBMJVEF-UHFFFAOYSA-N 2 0 214.353 1.344 20 0 BDADRP CC(C)[C@@H]1C[C@H]1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629579819 361465616 /nfs/dbraw/zinc/46/56/16/361465616.db2.gz JIWAMCLDRFBLRB-IHRRRGAJSA-N 2 0 240.391 1.325 20 0 BDADRP CC1(CC[NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000629580650 361469502 /nfs/dbraw/zinc/46/95/02/361469502.db2.gz YFLCAGJMYZVWFZ-GFCCVEGCSA-N 2 0 226.364 1.223 20 0 BDADRP C/C=C/C[C@@H]1CCC[N@@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000629594410 361486533 /nfs/dbraw/zinc/48/65/33/361486533.db2.gz CDBFRZAUHCUEPM-KOABKASLSA-N 2 0 240.391 1.635 20 0 BDADRP [NH3+]C[C@@H]1C[N@H+](CC2CC2)CC[C@H]1C(F)(F)F ZINC000629561775 361456500 /nfs/dbraw/zinc/45/65/00/361456500.db2.gz JGZHHOKESWXCBW-NXEZZACHSA-N 2 0 236.281 1.856 20 0 BDADRP CC[C@H](C(=O)NCC1([NH3+])CCCCC1)[NH+](C)C ZINC000629610785 361500433 /nfs/dbraw/zinc/50/04/33/361500433.db2.gz IIRGSHUJYMMZMD-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CC2=CCCOC2)C1 ZINC000629647018 361535586 /nfs/dbraw/zinc/53/55/86/361535586.db2.gz JHNJPXGLFFIOIC-JQWIXIFHSA-N 2 0 210.321 1.002 20 0 BDADRP [NH3+][C@H](CNCC1=Cc2ccccc2OC1)C1CC1 ZINC000629647728 361537742 /nfs/dbraw/zinc/53/77/42/361537742.db2.gz GPDGVGRJRJXZFH-CQSZACIVSA-N 2 0 244.338 1.789 20 0 BDADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccn(C)c2)C[C@H]1C[NH3+] ZINC000629648050 361538841 /nfs/dbraw/zinc/53/88/41/361538841.db2.gz FUJGJEJVFDBJBB-YRGRVCCFSA-N 2 0 235.375 1.830 20 0 BDADRP Cn1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000629648163 361539784 /nfs/dbraw/zinc/53/97/84/361539784.db2.gz QDSZWTGYUVXAFS-NSHDSACASA-N 2 0 207.321 1.114 20 0 BDADRP Cn1ccc(C[NH2+]CC2(C)CC[NH2+]CC2)c1 ZINC000629648193 361541148 /nfs/dbraw/zinc/54/11/48/361541148.db2.gz RFYJKCGVNGJHPX-UHFFFAOYSA-N 2 0 221.348 1.504 20 0 BDADRP CC1(C[NH2+]CC2=CCCOC2)CC[NH2+]CC1 ZINC000629648566 361541211 /nfs/dbraw/zinc/54/12/11/361541211.db2.gz WXOKBUPABXVVIY-UHFFFAOYSA-N 2 0 224.348 1.312 20 0 BDADRP Cn1ccc(C[NH2+]C2(C)CC[NH2+]CC2)c1 ZINC000629649530 361544455 /nfs/dbraw/zinc/54/44/55/361544455.db2.gz UZKKTMVHAGXASN-UHFFFAOYSA-N 2 0 207.321 1.257 20 0 BDADRP COC1(C[NH2+][C@H]2CC23CC[NH2+]CC3)CCCC1 ZINC000629649525 361544580 /nfs/dbraw/zinc/54/45/80/361544580.db2.gz UTFWYSORGLIDHX-LBPRGKRZSA-N 2 0 238.375 1.677 20 0 BDADRP COC1(C[N@@H+]2CC[C@@H](F)[C@H](N)C2)CCCC1 ZINC000629649458 361545055 /nfs/dbraw/zinc/54/50/55/361545055.db2.gz BAOYCGGRXWBZEM-GHMZBOCLSA-N 2 0 230.327 1.317 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+]CC1=CCCOC1 ZINC000629650008 361546567 /nfs/dbraw/zinc/54/65/67/361546567.db2.gz OAQONXHUTGOAGD-UHFFFAOYSA-N 2 0 246.354 1.842 20 0 BDADRP Cn1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000629649660 361546857 /nfs/dbraw/zinc/54/68/57/361546857.db2.gz YUGHTAHTZVGCDB-NWDGAFQWSA-N 2 0 207.321 1.385 20 0 BDADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccn(C)c1 ZINC000629649894 361546888 /nfs/dbraw/zinc/54/68/88/361546888.db2.gz JVWCGXHAEUFATP-JQWIXIFHSA-N 2 0 207.321 1.337 20 0 BDADRP Cn1ccc(CN2C[C@H]3CCC[C@]3([NH3+])C2)c1 ZINC000629649788 361546939 /nfs/dbraw/zinc/54/69/39/361546939.db2.gz GLXHJSRDRMHSFL-OLZOCXBDSA-N 2 0 219.332 1.338 20 0 BDADRP C[C@@H]1CCC[N@H+](Cc2ccn(C)c2)[C@H]1CC[NH3+] ZINC000629650703 361548554 /nfs/dbraw/zinc/54/85/54/361548554.db2.gz ZTAASMMBWUNKBA-OCCSQVGLSA-N 2 0 235.375 1.974 20 0 BDADRP C1=C(C[N@H+](C2CC2)C2CC[NH2+]CC2)COCC1 ZINC000629652127 361549619 /nfs/dbraw/zinc/54/96/19/361549619.db2.gz WPRKAXTVDNYFFB-UHFFFAOYSA-N 2 0 236.359 1.550 20 0 BDADRP CC(C)(C)CC[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000629653635 361553096 /nfs/dbraw/zinc/55/30/96/361553096.db2.gz RTFGQGLKKTZREQ-UHFFFAOYSA-N 2 0 238.335 1.167 20 0 BDADRP Cn1ccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000629653842 361554082 /nfs/dbraw/zinc/55/40/82/361554082.db2.gz KTZDUZWSCAQWAZ-STQMWFEESA-N 2 0 221.348 1.632 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000629653778 361554382 /nfs/dbraw/zinc/55/43/82/361554382.db2.gz NMALCXCSMVPVQG-ZDEQEGDKSA-N 2 0 225.380 1.247 20 0 BDADRP COC1(C[NH2+]C[C@@H]([NH3+])C(C)C)CCCC1 ZINC000629653897 361554864 /nfs/dbraw/zinc/55/48/64/361554864.db2.gz MFGJXIRDSMYHGK-LLVKDONJSA-N 2 0 214.353 1.519 20 0 BDADRP C([NH2+][C@H]1CC[NH2+]C12CCC2)[C@@H]1CCSC1 ZINC000629651010 361556032 /nfs/dbraw/zinc/55/60/32/361556032.db2.gz NOIIQGKARIPXQM-QWRGUYRKSA-N 2 0 226.389 1.614 20 0 BDADRP C[N@@H+](C/C=C/c1ccccc1)CCOCC[NH3+] ZINC000629663012 361595505 /nfs/dbraw/zinc/59/55/05/361595505.db2.gz JEJDQADWFUEFJK-VMPITWQZSA-N 2 0 234.343 1.607 20 0 BDADRP C[C@@H](C[NH2+]CCOCCC[NH3+])c1ccccc1 ZINC000629677682 361599722 /nfs/dbraw/zinc/59/97/22/361599722.db2.gz DFCHMHCKDMHIIW-ZDUSSCGKSA-N 2 0 236.359 1.745 20 0 BDADRP COC1CC([NH2+][C@@H]2CCN(CC3CC3)C2)C1 ZINC000309971551 491159105 /nfs/dbraw/zinc/15/91/05/491159105.db2.gz PTLCZURZGPCXSU-PNESKVBLSA-N 2 0 224.348 1.238 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)CCCCO)C1 ZINC000309978839 491159247 /nfs/dbraw/zinc/15/92/47/491159247.db2.gz VGKXQSOYJNQDFK-CHWSQXEVSA-N 2 0 228.380 1.469 20 0 BDADRP [NH3+]C1CCC([NH2+]C[C@@H]2Cc3ccccc3O2)CC1 ZINC000094087899 181341710 /nfs/dbraw/zinc/34/17/10/181341710.db2.gz PLCPRGJDCRZXIN-RUXDESIVSA-N 2 0 246.354 1.850 20 0 BDADRP CC[N@H+](CCn1cccn1)[C@H]1CCC[NH2+]CC1 ZINC000435614924 201279025 /nfs/dbraw/zinc/27/90/25/201279025.db2.gz NTTHAMNYJJPMAI-ZDUSSCGKSA-N 2 0 236.363 1.347 20 0 BDADRP C[C@@H]1C[C@@H](NC[C@@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000154518368 201282340 /nfs/dbraw/zinc/28/23/40/201282340.db2.gz AJSCCWPJWGCKSV-AGIUHOORSA-N 2 0 225.380 1.153 20 0 BDADRP [NH3+]C1CCC([NH2+][C@H]2CCC[C@H]2F)CC1 ZINC000335005732 181342355 /nfs/dbraw/zinc/34/23/55/181342355.db2.gz HYRHGJWHOGYZGV-LXKPXOPUSA-N 2 0 200.301 1.737 20 0 BDADRP CC[N@@H+]1CC[C@@H](N(C)CCC[NH2+]C)C[C@H]1C ZINC000435878642 201291455 /nfs/dbraw/zinc/29/14/55/201291455.db2.gz DVKJYTYKYXNACJ-CHWSQXEVSA-N 2 0 227.396 1.401 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000133769633 491160363 /nfs/dbraw/zinc/16/03/63/491160363.db2.gz AJMPKCWDPUTKLR-WCQYABFASA-N 2 0 228.380 1.323 20 0 BDADRP CS[C@H](C)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000161932985 201305594 /nfs/dbraw/zinc/30/55/94/201305594.db2.gz JPOITCUOWQMBAR-MXWKQRLJSA-N 2 0 216.394 1.810 20 0 BDADRP CCCCOC1CC[NH+](CCC[NH2+]C)CC1 ZINC000435881644 201294982 /nfs/dbraw/zinc/29/49/82/201294982.db2.gz VVUPRYRYDHYSJV-UHFFFAOYSA-N 2 0 228.380 1.877 20 0 BDADRP CC[NH+](CC)C[C@H]1CCN(CCC[NH2+]C)C1 ZINC000435882553 201295772 /nfs/dbraw/zinc/29/57/72/201295772.db2.gz ZDUXFTNNMMYWKP-CYBMUJFWSA-N 2 0 227.396 1.260 20 0 BDADRP [NH3+]CCC[NH2+]C1CCC2(CCOCC2)CC1 ZINC000437796974 201374837 /nfs/dbraw/zinc/37/48/37/201374837.db2.gz IICZZFZBRHIKCT-UHFFFAOYSA-N 2 0 226.364 1.664 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(N)=[NH2+] ZINC000630387438 364102385 /nfs/dbraw/zinc/10/23/85/364102385.db2.gz PFNHCASMYODGPN-WCQYABFASA-N 2 0 246.358 1.238 20 0 BDADRP [NH3+]CC1CC[NH+](CCc2cccnc2)CC1 ZINC000063223653 181365501 /nfs/dbraw/zinc/36/55/01/181365501.db2.gz DEVYDWWERLHYRW-UHFFFAOYSA-N 2 0 219.332 1.295 20 0 BDADRP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246513787 364599739 /nfs/dbraw/zinc/59/97/39/364599739.db2.gz UGUWOWOPXXZSDW-FRRDWIJNSA-N 2 0 242.407 1.856 20 0 BDADRP C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000573338665 364804398 /nfs/dbraw/zinc/80/43/98/364804398.db2.gz VDMVNQCAMIWVRZ-FVCCEPFGSA-N 2 0 226.364 1.519 20 0 BDADRP c1n[nH]cc1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252668640 364759769 /nfs/dbraw/zinc/75/97/69/364759769.db2.gz YTTCZAFETTUDMF-NEPJUHHUSA-N 2 0 220.320 1.126 20 0 BDADRP COC[C@H](C)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000580514355 364777279 /nfs/dbraw/zinc/77/72/79/364777279.db2.gz NPXYLMYZZFUHDW-CHWSQXEVSA-N 2 0 228.380 1.685 20 0 BDADRP Cc1ncc(C[NH2+][C@H]2CC[C@H](CO)CC2)n1C ZINC000573505976 364850924 /nfs/dbraw/zinc/85/09/24/364850924.db2.gz IWAQZJVHKLEVAZ-HAQNSBGRSA-N 2 0 237.347 1.369 20 0 BDADRP O[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000328376893 364841671 /nfs/dbraw/zinc/84/16/71/364841671.db2.gz UFSYIUORQXFZLU-AAVRWANBSA-N 2 0 238.375 1.221 20 0 BDADRP COC(=O)CCC[NH+]1CCC(CC[NH3+])CC1 ZINC000069730073 541386194 /nfs/dbraw/zinc/38/61/94/541386194.db2.gz BYOWYINKFBCWHG-UHFFFAOYSA-N 2 0 228.336 1.000 20 0 BDADRP C[C@H](C[NH3+])N(C)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000574037945 364972584 /nfs/dbraw/zinc/97/25/84/364972584.db2.gz OCKWOSWEDPTUHX-NEPJUHHUSA-N 2 0 241.379 1.057 20 0 BDADRP CC[NH2+]CCCN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000574069899 364979937 /nfs/dbraw/zinc/97/99/37/364979937.db2.gz AZGBVNOVXQKRQN-ZIAGYGMSSA-N 2 0 241.423 1.886 20 0 BDADRP C[C@H](O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000574392833 365050932 /nfs/dbraw/zinc/05/09/32/365050932.db2.gz IGWNIZULSMMUDJ-NNYUYHANSA-N 2 0 214.353 1.218 20 0 BDADRP C[C@@H]([NH2+]Cc1cnc(N)s1)[C@H]1CCC[NH2+]C1 ZINC000574276945 365026452 /nfs/dbraw/zinc/02/64/52/365026452.db2.gz KKVIKLPKVKMFSJ-BDAKNGLRSA-N 2 0 240.376 1.033 20 0 BDADRP CCn1cc([C@@H](C)[NH2+]CC2CC[NH2+]CC2)cn1 ZINC000574563053 365089576 /nfs/dbraw/zinc/08/95/76/365089576.db2.gz MSOUBPQUMSOASK-LLVKDONJSA-N 2 0 236.363 1.553 20 0 BDADRP Cc1ncc(C[NH2+][C@@H](C)c2cccnc2)n1C ZINC000574704292 365127183 /nfs/dbraw/zinc/12/71/83/365127183.db2.gz LYSROPOVJIWNIW-JTQLQIEISA-N 2 0 230.315 1.974 20 0 BDADRP COC[C@@H](C)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000574749560 365132241 /nfs/dbraw/zinc/13/22/41/365132241.db2.gz KDBCVCJXZUUCLC-QWHCGFSZSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H]([NH3+])CN[C@H]1CCO[C@@H]1c1ccccc1 ZINC000574519511 365079868 /nfs/dbraw/zinc/07/98/68/365079868.db2.gz OOQPSNWOSGZKHU-WCFLWFBJSA-N 2 0 220.316 1.453 20 0 BDADRP Cc1cnc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)o1 ZINC000443070708 193012364 /nfs/dbraw/zinc/01/23/64/193012364.db2.gz LHNMHRGIXRTEKS-LLVKDONJSA-N 2 0 223.320 1.544 20 0 BDADRP C[C@@H](O)[C@H](C)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000575117116 365206957 /nfs/dbraw/zinc/20/69/57/365206957.db2.gz ZZUHPZZEQBCOOG-UONOGXRCSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CCOC[C@@H]1CCCO1 ZINC000575372967 365303652 /nfs/dbraw/zinc/30/36/52/365303652.db2.gz OQZYOGFUEYEIOK-STQMWFEESA-N 2 0 244.379 1.289 20 0 BDADRP C[C@H](O)C[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000575981840 365431170 /nfs/dbraw/zinc/43/11/70/365431170.db2.gz ZPMVTKLYRGHUDA-STQMWFEESA-N 2 0 228.380 1.611 20 0 BDADRP C[C@H](O)C[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000575981838 365431263 /nfs/dbraw/zinc/43/12/63/365431263.db2.gz ZPMVTKLYRGHUDA-OLZOCXBDSA-N 2 0 228.380 1.611 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCOCC2CCC2)CC[N@@H+]1C ZINC000576203767 365520673 /nfs/dbraw/zinc/52/06/73/365520673.db2.gz QKTZEQDOXVQSFT-OCCSQVGLSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000579595309 366898138 /nfs/dbraw/zinc/89/81/38/366898138.db2.gz TZDYOZCRFOUSCF-NNYUYHANSA-N 2 0 241.379 1.136 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000579595308 366898217 /nfs/dbraw/zinc/89/82/17/366898217.db2.gz TZDYOZCRFOUSCF-FIQHERPVSA-N 2 0 241.379 1.136 20 0 BDADRP CC(C)C[NH+]1CCN(CCC[NH2+]C2CC2)CC1 ZINC000055075704 541515527 /nfs/dbraw/zinc/51/55/27/541515527.db2.gz FDCQWVFZIHPAFG-UHFFFAOYSA-N 2 0 239.407 1.402 20 0 BDADRP [NH3+][C@@H](CN[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000580844565 367187439 /nfs/dbraw/zinc/18/74/39/367187439.db2.gz RSOWQBTXNMBCQR-RDBSUJKOSA-N 2 0 233.359 1.546 20 0 BDADRP CCN1CCC([NH2+]C2(COC)CC2)CC1 ZINC000380351374 367190219 /nfs/dbraw/zinc/19/02/19/367190219.db2.gz VGPNSJUOOBHEBJ-UHFFFAOYSA-N 2 0 212.337 1.239 20 0 BDADRP CC(C)C[C@H]([NH3+])c1noc([C@H]2CC[NH2+][C@@H]2C)n1 ZINC000580892164 367199068 /nfs/dbraw/zinc/19/90/68/367199068.db2.gz DLKDVOKWFFLODB-UTLUCORTSA-N 2 0 238.335 1.581 20 0 BDADRP C[N@@H+]1CCC[C@@H](CC[NH2+]CC2(F)CC2)C1 ZINC000580938172 367210393 /nfs/dbraw/zinc/21/03/93/367210393.db2.gz WOJZYBHOZWQYQO-NSHDSACASA-N 2 0 214.328 1.810 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](c2nc(C3([NH3+])CCC3)no2)C1 ZINC000581310107 367337641 /nfs/dbraw/zinc/33/76/41/367337641.db2.gz JMVTYWPBUVFYDO-DTWKUNHWSA-N 2 0 236.319 1.392 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@H](F)C2)C1 ZINC000581260168 367311776 /nfs/dbraw/zinc/31/17/76/367311776.db2.gz FESPGYYVXVXORF-VLEAKVRGSA-N 2 0 200.301 1.737 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000381470008 367413993 /nfs/dbraw/zinc/41/39/93/367413993.db2.gz NZQAICPEASKCPZ-LPWJVIDDSA-N 2 0 226.364 1.626 20 0 BDADRP COC[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)C(C)C ZINC000381745157 367452619 /nfs/dbraw/zinc/45/26/19/367452619.db2.gz PWDVBEXTHIIRLC-OLZOCXBDSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](C[C@H]2CCCC[C@H]2O)CC1 ZINC000383080964 367594055 /nfs/dbraw/zinc/59/40/55/367594055.db2.gz UABDRLILNOZJCO-IACUBPJLSA-N 2 0 240.391 1.597 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@@H]3CCCC[C@H]3O)C[C@@H]12 ZINC000383264912 367609501 /nfs/dbraw/zinc/60/95/01/367609501.db2.gz GLSZTQZNFPHBPQ-XVIXHAIJSA-N 2 0 238.375 1.207 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000383248437 367609738 /nfs/dbraw/zinc/60/97/38/367609738.db2.gz WBMOZCKPTUJRBD-UWVGGRQHSA-N 2 0 218.291 1.749 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)[C@H](C)O1 ZINC000384561650 367701018 /nfs/dbraw/zinc/70/10/18/367701018.db2.gz HVPSZACPIQWXFY-MDZLAQPJSA-N 2 0 226.364 1.484 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H]1CC2CCC1CC2 ZINC000384179736 367674698 /nfs/dbraw/zinc/67/46/98/367674698.db2.gz YZDDZPNFGMZSRS-HOAMVYINSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)[C@@H](C)O1 ZINC000384749388 367725943 /nfs/dbraw/zinc/72/59/43/367725943.db2.gz MNIXROADKXUCFV-KKOKHZNYSA-N 2 0 212.337 1.142 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H](C)CC(C)(C)O)CC1 ZINC000384751294 367726197 /nfs/dbraw/zinc/72/61/97/367726197.db2.gz OJGDEPHSOPPTHZ-LBPRGKRZSA-N 2 0 242.407 2.000 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000384776877 367730034 /nfs/dbraw/zinc/73/00/34/367730034.db2.gz VRGJBJFVBKPAMN-IJLUTSLNSA-N 2 0 214.353 1.255 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000384827106 367737006 /nfs/dbraw/zinc/73/70/06/367737006.db2.gz XHEGOQHYESFKBN-NOOOWODRSA-N 2 0 214.353 1.659 20 0 BDADRP CC[NH2+]CCC[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000566088216 325992372 /nfs/dbraw/zinc/99/23/72/325992372.db2.gz LUPCMLRFXMDDNQ-GARJFASQSA-N 2 0 200.326 1.142 20 0 BDADRP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000384949150 367763141 /nfs/dbraw/zinc/76/31/41/367763141.db2.gz FYFISAPBJZFJRM-GRYCIOLGSA-N 2 0 228.380 1.643 20 0 BDADRP [NH3+]CCC[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000581713695 367765599 /nfs/dbraw/zinc/76/55/99/367765599.db2.gz KOLOXKGSFHVKOM-GFCCVEGCSA-N 2 0 205.305 1.567 20 0 BDADRP CCO[C@@H]1C[C@@H]1[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000581720384 367782361 /nfs/dbraw/zinc/78/23/61/367782361.db2.gz PYGDJBGEBGJAPM-NOOOWODRSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@H]1C[C@@H](N(C)C(=O)CCCC[NH3+])CC[N@@H+]1C ZINC000566185307 326008974 /nfs/dbraw/zinc/00/89/74/326008974.db2.gz AZNLGRBAGXCKGJ-RYUDHWBXSA-N 2 0 241.379 1.057 20 0 BDADRP Nc1ncc(C[NH2+]CC[C@H]2CCC[NH2+]C2)s1 ZINC000566229920 326019143 /nfs/dbraw/zinc/01/91/43/326019143.db2.gz UBMOQPQADVZGBW-SECBINFHSA-N 2 0 240.376 1.035 20 0 BDADRP C[C@@H](CN[C@@H](C)[C@@H]1CCCC[NH2+]1)[NH+](C)C ZINC000386574147 367994306 /nfs/dbraw/zinc/99/43/06/367994306.db2.gz MPWSUOVKIHZFRU-SRVKXCTJSA-N 2 0 213.369 1.057 20 0 BDADRP COCCOCCC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386377280 367957868 /nfs/dbraw/zinc/95/78/68/367957868.db2.gz CIFHZTJDKKLNLX-OLZOCXBDSA-N 2 0 244.379 1.160 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(F)cn1 ZINC000581937745 367964625 /nfs/dbraw/zinc/96/46/25/367964625.db2.gz KSLWQDRMISCDEZ-SNVBAGLBSA-N 2 0 237.322 1.871 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC[C@H](O)C1)[C@@H]1CCCC[NH2+]1 ZINC000386446011 367973785 /nfs/dbraw/zinc/97/37/85/367973785.db2.gz NJMXNJXKCAJSPR-RNJOBUHISA-N 2 0 226.364 1.268 20 0 BDADRP C[C@H]1C[C@H](C[NH+]2CCC(CC[NH3+])CC2)CC[NH2+]1 ZINC000581947003 367974582 /nfs/dbraw/zinc/97/45/82/367974582.db2.gz JRRBJYYMZFKNMG-GXTWGEPZSA-N 3 0 239.407 1.435 20 0 BDADRP C[C@@H](NCC[NH+]1CCCC1)[C@H]1CCCC[NH2+]1 ZINC000386464872 367978928 /nfs/dbraw/zinc/97/89/28/367978928.db2.gz PTCIWSKHQGTLSP-CHWSQXEVSA-N 2 0 225.380 1.202 20 0 BDADRP CCC[N@H+](CC)CCN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386483528 367980270 /nfs/dbraw/zinc/98/02/70/367980270.db2.gz SNGPCMRPTCYFTE-KGLIPLIRSA-N 2 0 241.423 1.839 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CCN(C)Cc1ccccc1 ZINC000386877869 368029891 /nfs/dbraw/zinc/02/98/91/368029891.db2.gz LSQHNSNIZBWUOA-AWEZNQCLSA-N 2 0 249.402 1.835 20 0 BDADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@@H](C)[NH+](C)C ZINC000387403182 368169360 /nfs/dbraw/zinc/16/93/60/368169360.db2.gz BAUBJLIVLGEUMV-MNOVXSKESA-N 2 0 243.395 1.077 20 0 BDADRP CCC(CC)(C[NH3+])C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000446396470 201683126 /nfs/dbraw/zinc/68/31/26/201683126.db2.gz JPCGHGGQIBFOPB-QWRGUYRKSA-N 2 0 241.379 1.138 20 0 BDADRP CC[NH2+]CCCNC1CC[NH+](C(C)C)CC1 ZINC000566614448 326067989 /nfs/dbraw/zinc/06/79/89/326067989.db2.gz VYTHCWVTMZLXLC-UHFFFAOYSA-N 2 0 227.396 1.448 20 0 BDADRP C[C@H]1CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000253123979 368518158 /nfs/dbraw/zinc/51/81/58/368518158.db2.gz KHFGEFBJMXFOGX-IHRRRGAJSA-N 2 0 240.391 1.611 20 0 BDADRP CC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000069028060 368745068 /nfs/dbraw/zinc/74/50/68/368745068.db2.gz OAHQCNPFAZDRGZ-UHFFFAOYSA-N 2 0 212.337 1.051 20 0 BDADRP C[C@@]1(CN2CC[C@H]([NH+]3CCCC3)C2)CC[NH2+]C1 ZINC000110371034 368749128 /nfs/dbraw/zinc/74/91/28/368749128.db2.gz ZFYSUVJOGOHCAH-UONOGXRCSA-N 2 0 237.391 1.156 20 0 BDADRP CCN(C)C[C@@H](O)C[N@H+](C[C@@H](C)OC)C(C)C ZINC000567246702 326149540 /nfs/dbraw/zinc/14/95/40/326149540.db2.gz SDTKSAMDVXLIGV-CHWSQXEVSA-N 2 0 246.395 1.044 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCc2nccs2)C1 ZINC000086404121 368879874 /nfs/dbraw/zinc/87/98/74/368879874.db2.gz MNWLDOWCVVUMAQ-VHSXEESVSA-N 2 0 225.361 1.545 20 0 BDADRP Cc1cccnc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000086404181 368880238 /nfs/dbraw/zinc/88/02/38/368880238.db2.gz QCTMEBURPGSXQX-RYUDHWBXSA-N 2 0 219.332 1.750 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@H]2CCO[C@@H]2C)C1 ZINC000631821749 368974907 /nfs/dbraw/zinc/97/49/07/368974907.db2.gz HYNWUVIMRGDYNC-UMSGYPCISA-N 2 0 226.364 1.471 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089150428 368937332 /nfs/dbraw/zinc/93/73/32/368937332.db2.gz XVXLBZXTWOOEHD-KGLIPLIRSA-N 3 0 239.407 1.435 20 0 BDADRP C[C@@H]1OCC[C@H]1[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623657182 368997743 /nfs/dbraw/zinc/99/77/43/368997743.db2.gz KYKMQIYUBKZVCE-RWMBFGLXSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H]1OCC[C@H]1C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000631830131 369007171 /nfs/dbraw/zinc/00/71/71/369007171.db2.gz KUCAIUNIYUAUTO-RQJABVFESA-N 2 0 238.375 1.343 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H](C)[C@@H]2CCCO2)CC1 ZINC000310249348 326188331 /nfs/dbraw/zinc/18/83/31/326188331.db2.gz FNTWFMBZGNEJTF-JSGCOSHPSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000155246544 326189752 /nfs/dbraw/zinc/18/97/52/326189752.db2.gz ZMMVEMSHDVWMIW-UTUOFQBUSA-N 2 0 243.395 1.192 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@@H](C)O)[C@H](C)C1 ZINC000459382364 203269951 /nfs/dbraw/zinc/26/99/51/203269951.db2.gz SYKDGORQPBJIEC-IJLUTSLNSA-N 2 0 214.353 1.029 20 0 BDADRP COC(=O)CCC[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404397468 369428112 /nfs/dbraw/zinc/42/81/12/369428112.db2.gz PKUFRTQSBVFXPM-NWDGAFQWSA-N 2 0 242.363 1.389 20 0 BDADRP C[C@@H]([NH3+])CCC(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000404893378 369439143 /nfs/dbraw/zinc/43/91/43/369439143.db2.gz RVWRELNQMQWJEP-NEPJUHHUSA-N 2 0 241.379 1.057 20 0 BDADRP CCOC[C@@H](C)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000459659145 203331660 /nfs/dbraw/zinc/33/16/60/203331660.db2.gz LXOMRUHVAFFJHU-LLVKDONJSA-N 2 0 233.315 1.849 20 0 BDADRP C[C@H]1C[C@H]([NH3+])CN1CCCC1CC[NH2+]CC1 ZINC000631861731 369469945 /nfs/dbraw/zinc/46/99/45/369469945.db2.gz HZGRMGKPHJJMHK-AAEUAGOBSA-N 2 0 225.380 1.188 20 0 BDADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ncc[nH]2)C1 ZINC000459732650 203345496 /nfs/dbraw/zinc/34/54/96/203345496.db2.gz MHTZYEIOHDNLEB-NSHDSACASA-N 2 0 222.336 1.231 20 0 BDADRP CC[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000459734494 203347557 /nfs/dbraw/zinc/34/75/57/203347557.db2.gz CMJJGXCPQQZYMX-DGAVXFQQSA-N 2 0 238.375 1.770 20 0 BDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)C1CC1 ZINC000165305359 203383573 /nfs/dbraw/zinc/38/35/73/203383573.db2.gz SJQUJMFLEGTENF-RYUDHWBXSA-N 2 0 225.380 1.010 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)CC[C@@H]2CCC[NH2+]2)cc1 ZINC000295039646 181484583 /nfs/dbraw/zinc/48/45/83/181484583.db2.gz DTUOKRNRNQETOI-LBPRGKRZSA-N 2 0 247.342 1.616 20 0 BDADRP CSC1(C[NH2+][C@@H]2CCN(CC3CC3)C2)CC1 ZINC000309729089 370249729 /nfs/dbraw/zinc/24/97/29/370249729.db2.gz ZCOOLGBILQSHBW-GFCCVEGCSA-N 2 0 240.416 1.956 20 0 BDADRP CC(C)[NH2+]CCC[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000158608666 326331760 /nfs/dbraw/zinc/33/17/60/326331760.db2.gz ZSPCZZUQFOZIQG-RYUDHWBXSA-N 2 0 214.353 1.389 20 0 BDADRP CCn1nccc1CC[N@H+](C)C1CC[NH2+]CC1 ZINC000621774671 370521857 /nfs/dbraw/zinc/52/18/57/370521857.db2.gz ZYGASAHWAWACSO-UHFFFAOYSA-N 2 0 236.363 1.129 20 0 BDADRP Cc1cc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)ccn1 ZINC000621775797 370523116 /nfs/dbraw/zinc/52/31/16/370523116.db2.gz YYVXXWMFBUNHSI-YPMHNXCESA-N 2 0 219.332 1.559 20 0 BDADRP C[NH2+]CCCN(C)Cc1ccnc(C)c1 ZINC000621776181 370524132 /nfs/dbraw/zinc/52/41/32/370524132.db2.gz DZMUGGRPALEERI-UHFFFAOYSA-N 2 0 207.321 1.431 20 0 BDADRP CCn1cc(CC[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)cn1 ZINC000621776289 370524274 /nfs/dbraw/zinc/52/42/74/370524274.db2.gz IBGSZWHVSOGUHL-DGCLKSJQSA-N 2 0 236.363 1.257 20 0 BDADRP [NH3+][C@]12CCC[C@H]1C[N@H+](CCC1CC[NH2+]CC1)C2 ZINC000621781412 370530581 /nfs/dbraw/zinc/53/05/81/370530581.db2.gz DQOVXESFPVHOOA-KBPBESRZSA-N 3 0 237.391 1.189 20 0 BDADRP [NH3+][C@]12CCC[C@@H]1C[N@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000621784478 370535735 /nfs/dbraw/zinc/53/57/35/370535735.db2.gz PNJUQRKJEWUDRJ-MCIONIFRSA-N 3 0 237.391 1.189 20 0 BDADRP O[C@H]1CCN(CC[NH2+]C2CCCCCC2)C1 ZINC000623836683 371119949 /nfs/dbraw/zinc/11/99/49/371119949.db2.gz FKOIXDCMENJRBT-ZDUSSCGKSA-N 2 0 226.364 1.365 20 0 BDADRP Cc1cc(C[NH2+]CCCC[NH+](C)C)ccn1 ZINC000390422855 371201147 /nfs/dbraw/zinc/20/11/47/371201147.db2.gz ZOAYGYCRBFUQCL-UHFFFAOYSA-N 2 0 221.348 1.821 20 0 BDADRP C[N@@H+]1CCCC[C@@H](C[NH2+][C@H]2CCCOCC2)C1 ZINC000624122012 371323106 /nfs/dbraw/zinc/32/31/06/371323106.db2.gz ICDZMPQIUZSIAB-KBPBESRZSA-N 2 0 240.391 1.877 20 0 BDADRP [NH3+][C@H]1C[C@H](N[C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000333336967 181658842 /nfs/dbraw/zinc/65/88/42/181658842.db2.gz XGXLMGXNMSKJDI-BPNCWPANSA-N 2 0 231.343 1.473 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H](O)C1)C1CC[NH+](C)CC1 ZINC000624219540 371408878 /nfs/dbraw/zinc/40/88/78/371408878.db2.gz XGMWSHRDHLPRTR-WZRBSPASSA-N 2 0 226.364 1.077 20 0 BDADRP Cn1cncc1CC[NH2+]Cc1ccncc1 ZINC000401703674 371801441 /nfs/dbraw/zinc/80/14/41/371801441.db2.gz BWFBDAVKFOOZHV-UHFFFAOYSA-N 2 0 216.288 1.147 20 0 BDADRP Cc1ncc(C[NH2+][C@H]2CCCn3nccc32)n1C ZINC000631298733 372283782 /nfs/dbraw/zinc/28/37/82/372283782.db2.gz OMACLJXVVDHLHH-LBPRGKRZSA-N 2 0 245.330 1.550 20 0 BDADRP C[C@H]1OCC[C@H]1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000631820500 372593276 /nfs/dbraw/zinc/59/32/76/372593276.db2.gz BBWWORVPCJPKGN-NEPJUHHUSA-N 2 0 238.375 1.628 20 0 BDADRP C[NH2+]CC1CC[NH+](C[C@H]2CCO[C@H]2C)CC1 ZINC000631821660 372596995 /nfs/dbraw/zinc/59/69/95/372596995.db2.gz FOBFOTQRXDSEBR-WCQYABFASA-N 2 0 226.364 1.343 20 0 BDADRP CC[NH2+]CC1CC[NH+](C[C@H]2CCO[C@@H]2C)CC1 ZINC000631821899 372597457 /nfs/dbraw/zinc/59/74/57/372597457.db2.gz MJWLGZJAHISKQY-TZMCWYRMSA-N 2 0 240.391 1.733 20 0 BDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@@H]1CCO[C@H]1C ZINC000631822169 372599188 /nfs/dbraw/zinc/59/91/88/372599188.db2.gz UZFHFARMNHNHIY-RWMBFGLXSA-N 2 0 228.380 1.717 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000631827673 372607384 /nfs/dbraw/zinc/60/73/84/372607384.db2.gz UHOLKMFNFISUIP-MJBXVCDLSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000631830532 372612532 /nfs/dbraw/zinc/61/25/32/372612532.db2.gz UZRMBZNSXJWZLB-QNWHQSFQSA-N 2 0 224.348 1.225 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000631830533 372612672 /nfs/dbraw/zinc/61/26/72/372612672.db2.gz UZRMBZNSXJWZLB-RNJOBUHISA-N 2 0 224.348 1.225 20 0 BDADRP Cc1nccn1CCC[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631837789 372630061 /nfs/dbraw/zinc/63/00/61/372630061.db2.gz FMFIYEACABBTIO-DGCLKSJQSA-N 2 0 236.363 1.108 20 0 BDADRP CC[NH+](CC)CCCN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631838312 372630897 /nfs/dbraw/zinc/63/08/97/372630897.db2.gz LYDFKACVLZFKHR-CHWSQXEVSA-N 2 0 227.396 1.245 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1C[NH3+] ZINC000631840462 372635832 /nfs/dbraw/zinc/63/58/32/372635832.db2.gz SPYQNDBJQUSXSG-GHMZBOCLSA-N 2 0 205.305 1.108 20 0 BDADRP C(CN1C[C@H]2CC[C@@H](C1)[NH2+]2)C[NH+]1CCCCC1 ZINC000631852588 372652515 /nfs/dbraw/zinc/65/25/15/372652515.db2.gz WTXSNMAZXDYOSD-OKILXGFUSA-N 2 0 237.391 1.299 20 0 BDADRP C([NH2+][C@]12CCC[C@@H]1C[NH2+]C2)C1CCCC1 ZINC000631867017 372667991 /nfs/dbraw/zinc/66/79/91/372667991.db2.gz GTMVTXBFPWHEBM-OLZOCXBDSA-N 2 0 208.349 1.908 20 0 BDADRP C[C@H]1COCC[C@@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000192129230 205945111 /nfs/dbraw/zinc/94/51/11/205945111.db2.gz PIUIYZIGMLEROC-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)C[C@@H](C)O)[C@H](C)C1 ZINC000305116940 170020876 /nfs/dbraw/zinc/02/08/76/170020876.db2.gz IFGHALHEVMYNLQ-SYQHCUMBSA-N 2 0 242.407 1.713 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](CC(C)(C)COC)C1 ZINC000426418754 206047757 /nfs/dbraw/zinc/04/77/57/206047757.db2.gz YBECIZMCHGXEQT-ZDUSSCGKSA-N 2 0 242.407 1.933 20 0 BDADRP CCc1cc(N2CC[N@H+](CCO)[C@H](C)C2)cc[nH+]1 ZINC000450449892 206102631 /nfs/dbraw/zinc/10/26/31/206102631.db2.gz FRHFIBPSMLRFRW-GFCCVEGCSA-N 2 0 249.358 1.147 20 0 BDADRP C[C@@H]([NH3+])CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000178631507 134312016 /nfs/dbraw/zinc/31/20/16/134312016.db2.gz ZTJCXGSEZDFJGO-NEPJUHHUSA-N 2 0 241.379 1.104 20 0 BDADRP OCCCC1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000339414405 183043503 /nfs/dbraw/zinc/04/35/03/183043503.db2.gz XGOUVLYAKINDQB-CQSZACIVSA-N 2 0 240.391 1.471 20 0 BDADRP OCCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000300245416 183052782 /nfs/dbraw/zinc/05/27/82/183052782.db2.gz XDBIIYXIJGNAKE-BFHYXJOUSA-N 2 0 240.391 1.659 20 0 BDADRP OCCCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000363413929 183050097 /nfs/dbraw/zinc/05/00/97/183050097.db2.gz ITQXSVLRZJEIJO-HZSPNIEDSA-N 2 0 238.375 1.175 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000363688099 169002534 /nfs/dbraw/zinc/00/25/34/169002534.db2.gz QJXUXJGFLHRDEK-NEPJUHHUSA-N 2 0 241.379 1.152 20 0 BDADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCOC2)C1 ZINC000336707411 169079434 /nfs/dbraw/zinc/07/94/34/169079434.db2.gz ORXNESXIJPMFSR-KBPBESRZSA-N 2 0 240.391 1.687 20 0 BDADRP CCC[N@H+](CC)CCNC(=O)C1([NH3+])CCCC1 ZINC000226407195 169120385 /nfs/dbraw/zinc/12/03/85/169120385.db2.gz RMXNEGSQFLATKH-UHFFFAOYSA-N 2 0 241.379 1.106 20 0 BDADRP CCC[N@H+](CCC(=O)OC)C1CC[NH2+]CC1 ZINC000037469636 169139523 /nfs/dbraw/zinc/13/95/23/169139523.db2.gz OPQWIHZNZOULSD-UHFFFAOYSA-N 2 0 228.336 1.014 20 0 BDADRP CCC[NH+]1CCC([NH2+]CCOC(C)C)CC1 ZINC000042225572 169188554 /nfs/dbraw/zinc/18/85/54/169188554.db2.gz COGZJJWXIOIXPC-UHFFFAOYSA-N 2 0 228.380 1.875 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H](C)COCC)CC1 ZINC000044688352 169189916 /nfs/dbraw/zinc/18/99/16/169189916.db2.gz BUBKEEBPLMAWAL-GFCCVEGCSA-N 2 0 228.380 1.875 20 0 BDADRP c1c[nH]c([C@H]2CCC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000336495841 183327988 /nfs/dbraw/zinc/32/79/88/183327988.db2.gz NXTMTGNPGYLGME-OLZOCXBDSA-N 2 0 248.374 1.589 20 0 BDADRP CCCN1CCC[C@@H]1C[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000353140670 169196559 /nfs/dbraw/zinc/19/65/59/169196559.db2.gz PPGQKBRPPPFTSZ-MGPQQGTHSA-N 2 0 239.407 1.401 20 0 BDADRP CCC[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000107371934 169206921 /nfs/dbraw/zinc/20/69/21/169206921.db2.gz PRIWCRJLELUIOX-CYBMUJFWSA-N 2 0 225.380 1.108 20 0 BDADRP c1cc2c(c(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)c1)NCC2 ZINC000359457381 183365063 /nfs/dbraw/zinc/36/50/63/183365063.db2.gz NBPFWVMZORYGFI-ZIAGYGMSSA-N 2 0 243.354 1.306 20 0 BDADRP c1[nH]nc2cc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)ccc12 ZINC000359469209 183374835 /nfs/dbraw/zinc/37/48/35/183374835.db2.gz ALHKQCQRZIEURY-BETUJISGSA-N 2 0 242.326 1.214 20 0 BDADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N(C)CC[NH+](C)C ZINC000354484158 169398178 /nfs/dbraw/zinc/39/81/78/169398178.db2.gz CMQHCYZFFIWMES-GFCCVEGCSA-N 2 0 243.395 1.173 20 0 BDADRP CCC[C@](C)(O)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000223523948 134340463 /nfs/dbraw/zinc/34/04/63/134340463.db2.gz KZGCHDARTUKMLN-AWEZNQCLSA-N 2 0 242.407 2.000 20 0 BDADRP COC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000224572379 134348521 /nfs/dbraw/zinc/34/85/21/134348521.db2.gz FPEWAMCRTXOYQM-WDEREUQCSA-N 2 0 214.353 1.341 20 0 BDADRP Cc1n[nH]cc1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000227329754 134378034 /nfs/dbraw/zinc/37/80/34/134378034.db2.gz CQMAHPYKMZRXPP-UHFFFAOYSA-N 2 0 236.363 1.540 20 0 BDADRP O[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000252733221 383821413 /nfs/dbraw/zinc/82/14/13/383821413.db2.gz YKQGSUPOBNAGAZ-XUXIUFHCSA-N 2 0 238.375 1.506 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000301010911 383842343 /nfs/dbraw/zinc/84/23/43/383842343.db2.gz XPLAAMRJRCCAAI-WDEREUQCSA-N 2 0 232.318 1.963 20 0 BDADRP COC1(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CCCC1 ZINC000336418487 383833438 /nfs/dbraw/zinc/83/34/38/383833438.db2.gz VBTQRSKJMFTFKS-BETUJISGSA-N 2 0 238.375 1.439 20 0 BDADRP C[N@H+](CCC1CC[NH2+]CC1)C[C@H]1CCCOC1 ZINC000111164155 383932660 /nfs/dbraw/zinc/93/26/60/383932660.db2.gz ZQPJQWRGBPNXEP-CQSZACIVSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000643541206 383883369 /nfs/dbraw/zinc/88/33/69/383883369.db2.gz RZVSZPDIODDBAU-RQJABVFESA-N 3 0 239.407 1.482 20 0 BDADRP CC[C@@H]([NH2+][C@H](C)CCCC[NH3+])[C@@H](O)CC ZINC000313103687 383884356 /nfs/dbraw/zinc/88/43/56/383884356.db2.gz WFXPUBKQMVESJN-UTUOFQBUSA-N 2 0 216.369 1.643 20 0 BDADRP C[NH+](C)CC(C)(C)C[NH2+]C1CCOCC1 ZINC000036303850 383897552 /nfs/dbraw/zinc/89/75/52/383897552.db2.gz NCURRLCGGXRRDJ-UHFFFAOYSA-N 2 0 214.353 1.343 20 0 BDADRP Cc1ccsc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000050245292 383986629 /nfs/dbraw/zinc/98/66/29/383986629.db2.gz RVCCJDBXWCCRCM-JTQLQIEISA-N 2 0 210.346 1.837 20 0 BDADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCn3ccnc32)CC1 ZINC000345351994 383947907 /nfs/dbraw/zinc/94/79/07/383947907.db2.gz PJZUEEBQRHIVJO-CYBMUJFWSA-N 2 0 248.374 1.649 20 0 BDADRP CN(C)c1ncc(CN2CC=CCC2)n1C ZINC000644902076 384024711 /nfs/dbraw/zinc/02/47/11/384024711.db2.gz CUDVGRSEZKMOTO-UHFFFAOYSA-N 2 0 220.320 1.248 20 0 BDADRP COC[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)C1CC1 ZINC000643545994 384015254 /nfs/dbraw/zinc/01/52/54/384015254.db2.gz GTZXCRNAFWPMGY-QWHCGFSZSA-N 2 0 238.375 1.676 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643548700 384038757 /nfs/dbraw/zinc/03/87/57/384038757.db2.gz TZQLFBLLBLFZLF-OLZOCXBDSA-N 3 0 239.407 1.768 20 0 BDADRP CO[C@H](CC(C)C)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000642680557 384041735 /nfs/dbraw/zinc/04/17/35/384041735.db2.gz ZCHRIMQSPJKDJY-JHJVBQTASA-N 2 0 226.364 1.199 20 0 BDADRP [NH3+]Cc1ccc(-c2nc([C@H]3CCC[NH2+]3)no2)o1 ZINC000647156631 384042513 /nfs/dbraw/zinc/04/25/13/384042513.db2.gz JSJLLURBAUGJEX-MRVPVSSYSA-N 2 0 234.259 1.213 20 0 BDADRP [NH3+]CCCc1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000647158495 384087419 /nfs/dbraw/zinc/08/74/19/384087419.db2.gz MGOSZXWYQDUCCJ-UHFFFAOYSA-N 2 0 232.287 1.087 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000569458663 384064854 /nfs/dbraw/zinc/06/48/54/384064854.db2.gz GQYARGMVSQQATI-RWMBFGLXSA-N 3 0 225.380 1.045 20 0 BDADRP Cc1cnn(CC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000235953391 384075852 /nfs/dbraw/zinc/07/58/52/384075852.db2.gz NBDANIIJACYZSB-CHWSQXEVSA-N 2 0 236.363 1.299 20 0 BDADRP C[NH+]1CCC(N[C@@H]2COc3ccccc32)CC1 ZINC000070529011 384116962 /nfs/dbraw/zinc/11/69/62/384116962.db2.gz IEPKZMKRFBCACC-CYBMUJFWSA-N 2 0 232.327 1.804 20 0 BDADRP CC(C)([NH3+])CCC(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000648136757 384157846 /nfs/dbraw/zinc/15/78/46/384157846.db2.gz KPBSMDAODKPCNY-LLVKDONJSA-N 2 0 241.379 1.234 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+](C)CCc2ccncc2)CC[NH2+]1 ZINC000235365164 384172149 /nfs/dbraw/zinc/17/21/49/384172149.db2.gz HANPSVVASNAOPF-UKRRQHHQSA-N 2 0 247.386 1.944 20 0 BDADRP CC[C@@H]1CC[C@H]1[NH2+][C@H]1CCCN(CCCO)C1 ZINC000449394014 384163116 /nfs/dbraw/zinc/16/31/16/384163116.db2.gz DLLQLQMVTVNDSK-HZSPNIEDSA-N 2 0 240.391 1.611 20 0 BDADRP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000449394015 384163353 /nfs/dbraw/zinc/16/33/53/384163353.db2.gz DLLQLQMVTVNDSK-MCIONIFRSA-N 2 0 240.391 1.611 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000133344473 384246351 /nfs/dbraw/zinc/24/63/51/384246351.db2.gz WITPJCBORFEEBZ-JHJVBQTASA-N 2 0 208.349 1.718 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)CO1 ZINC000401908748 384252878 /nfs/dbraw/zinc/25/28/78/384252878.db2.gz VKNMIIGKXRZKHR-IJLUTSLNSA-N 2 0 212.337 1.095 20 0 BDADRP COC[C@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000173792053 384261625 /nfs/dbraw/zinc/26/16/25/384261625.db2.gz VTMUJJHESIKAFA-NWDGAFQWSA-N 2 0 214.353 1.295 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCC1(O)CCC1 ZINC000332469090 384314027 /nfs/dbraw/zinc/31/40/27/384314027.db2.gz MPLCQGHZNFPEMD-NWDGAFQWSA-N 2 0 226.364 1.399 20 0 BDADRP [NH3+]C[C@@H]1C[N@H+](C[C@H]2CCC(F)(F)C2)CCCO1 ZINC000313357066 384279476 /nfs/dbraw/zinc/27/94/76/384279476.db2.gz SUVQLGVAMIOWQA-WDEREUQCSA-N 2 0 248.317 1.471 20 0 BDADRP CN(CC[NH2+]CC1(C)COC1)Cc1ccccc1 ZINC000352777416 384321314 /nfs/dbraw/zinc/32/13/14/384321314.db2.gz BHGVDXSBNQLHMH-UHFFFAOYSA-N 2 0 248.370 1.745 20 0 BDADRP CC[NH+](CC)CCCN1C[C@H](C)[NH2+]C[C@@H]1C ZINC000083355708 384292376 /nfs/dbraw/zinc/29/23/76/384292376.db2.gz AZFWAXBYHHDTHF-STQMWFEESA-N 2 0 227.396 1.401 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2=CC[N@H+](C)CC2)CO1 ZINC000401929014 384296423 /nfs/dbraw/zinc/29/64/23/384296423.db2.gz UKEQGLKUWSKKOH-PWSUYJOCSA-N 2 0 210.321 1.015 20 0 BDADRP CCC(CC)[C@@H](O)C[NH2+][C@H](C)CCC[NH3+] ZINC000308801634 384301803 /nfs/dbraw/zinc/30/18/03/384301803.db2.gz DVYNUJLIRNIBFM-PWSUYJOCSA-N 2 0 216.369 1.501 20 0 BDADRP Cc1cccc([C@@H](C)[NH+]2CCC(O)(C[NH3+])CC2)c1 ZINC000335626476 384404693 /nfs/dbraw/zinc/40/46/93/384404693.db2.gz QRALBKUKYZRLDH-CYBMUJFWSA-N 2 0 248.370 1.842 20 0 BDADRP Cc1nc(C)c(C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)s1 ZINC000405529498 384404961 /nfs/dbraw/zinc/40/49/61/384404961.db2.gz XSZXOYNSVLDYPR-WDEREUQCSA-N 2 0 239.388 1.975 20 0 BDADRP COC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000397244990 384419948 /nfs/dbraw/zinc/41/99/48/384419948.db2.gz NHDQZMPLZGMIJT-ZYHUDNBSSA-N 2 0 212.337 1.001 20 0 BDADRP C[NH2+]C[C@@H]1CCCN(c2cc[nH+]c(C)c2)C1 ZINC000229574375 384378386 /nfs/dbraw/zinc/37/83/86/384378386.db2.gz JLXODLLCPCYNMX-LBPRGKRZSA-N 2 0 219.332 1.826 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cn[nH]c1 ZINC000305972629 384451424 /nfs/dbraw/zinc/45/14/24/384451424.db2.gz QCROLWFFRFJQQL-GHMZBOCLSA-N 2 0 234.347 1.545 20 0 BDADRP C[C@@H]1CSC[C@@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000335660323 384462660 /nfs/dbraw/zinc/46/26/60/384462660.db2.gz CRDMLIOEUPJRPY-PWSUYJOCSA-N 2 0 226.389 1.589 20 0 BDADRP CC[C@H]([NH3+])C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000648146247 384469584 /nfs/dbraw/zinc/46/95/84/384469584.db2.gz DPWKGPKETONNEN-NSHDSACASA-N 2 0 221.304 1.082 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)CCC(C)(C)[NH3+])cc1 ZINC000648146265 384474279 /nfs/dbraw/zinc/47/42/79/384474279.db2.gz YDDXIGBYBKNNBK-UHFFFAOYSA-N 2 0 249.358 1.862 20 0 BDADRP CCOCC[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000175726766 384482739 /nfs/dbraw/zinc/48/27/39/384482739.db2.gz HNOYXUSXEGZNQP-CHWSQXEVSA-N 2 0 228.380 1.685 20 0 BDADRP Cc1cccc(CC[NH2+]C[C@]2(O)CCN(C)C2)c1 ZINC000449243728 384500657 /nfs/dbraw/zinc/50/06/57/384500657.db2.gz MSWAFAAOINTQBK-OAHLLOKOSA-N 2 0 248.370 1.194 20 0 BDADRP CO[C@H](C)CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400380165 533070229 /nfs/dbraw/zinc/07/02/29/533070229.db2.gz JWYBTGXTGLAWRA-OUAUKWLOSA-N 2 0 200.326 1.142 20 0 BDADRP CC(C)[C@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000150959512 384527117 /nfs/dbraw/zinc/52/71/17/384527117.db2.gz SNAPLJRSCBJPJL-ZDUSSCGKSA-N 2 0 241.423 1.647 20 0 BDADRP Cc1nnsc1CN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000309726445 384558870 /nfs/dbraw/zinc/55/88/70/384558870.db2.gz DFBIQUVJLWTMFE-WCBMZHEXSA-N 2 0 240.376 1.419 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccn(C)c1 ZINC000085591082 384538924 /nfs/dbraw/zinc/53/89/24/384538924.db2.gz XARNHSRGXYNWGG-NSHDSACASA-N 2 0 209.337 1.455 20 0 BDADRP C(CN1CC[C@H]2CC[NH2+][C@@H]2C1)[C@H]1CCCCO1 ZINC000643064881 384586994 /nfs/dbraw/zinc/58/69/94/384586994.db2.gz DRXLGQXEYZCDAM-MGPQQGTHSA-N 2 0 238.375 1.629 20 0 BDADRP COC[C@@H]1CCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000643058177 384565850 /nfs/dbraw/zinc/56/58/50/384565850.db2.gz KIKJZCAZLHLRQB-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP CCC[C@H]([NH3+])C(=O)N(C)C1CC[NH+](CC)CC1 ZINC000036873364 384626934 /nfs/dbraw/zinc/62/69/34/384626934.db2.gz JFJZZVVERVSXEW-LBPRGKRZSA-N 2 0 241.379 1.057 20 0 BDADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000449589912 384629646 /nfs/dbraw/zinc/62/96/46/384629646.db2.gz KNZDLKUYDJVKKA-YFKTTZPYSA-N 2 0 241.379 1.136 20 0 BDADRP C[C@@H]1OCCN(CC[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC000162280753 384595832 /nfs/dbraw/zinc/59/58/32/384595832.db2.gz WIHUUFUBYFHVKD-AVGNSLFASA-N 2 0 226.364 1.580 20 0 BDADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccncc2)C[C@H]1C[NH3+] ZINC000397414506 384600468 /nfs/dbraw/zinc/60/04/68/384600468.db2.gz XJQGDTXUCRFUCH-YRGRVCCFSA-N 2 0 233.359 1.887 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000086700379 384672471 /nfs/dbraw/zinc/67/24/71/384672471.db2.gz SBNAMQBQGNEXLV-PWSUYJOCSA-N 2 0 212.337 1.143 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2O)CC1 ZINC000042237403 384634837 /nfs/dbraw/zinc/63/48/37/384634837.db2.gz JVHJSHRWYPBGTE-KBPBESRZSA-N 2 0 240.391 1.754 20 0 BDADRP CCCC[N@H+](CCO)C[C@@]1(C)CC[NH2+]C1 ZINC000309816914 384635571 /nfs/dbraw/zinc/63/55/71/384635571.db2.gz BLITVCKTMFPDTF-LBPRGKRZSA-N 2 0 214.353 1.080 20 0 BDADRP C[N@H+](CCC[NH3+])CCc1ccc(F)cc1 ZINC000049814796 384642793 /nfs/dbraw/zinc/64/27/93/384642793.db2.gz LRENSVHSELUDRD-UHFFFAOYSA-N 2 0 210.296 1.649 20 0 BDADRP Cc1ncc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)s1 ZINC000086403501 384646035 /nfs/dbraw/zinc/64/60/35/384646035.db2.gz XZJVRBZQODGJKE-VHSXEESVSA-N 2 0 225.361 1.811 20 0 BDADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCC12CCC2 ZINC000309836327 384650301 /nfs/dbraw/zinc/65/03/01/384650301.db2.gz BENXHTIUBMTAAF-GFCCVEGCSA-N 2 0 226.364 1.487 20 0 BDADRP CO[C@H](C)CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000309618121 384656485 /nfs/dbraw/zinc/65/64/85/384656485.db2.gz DKAAFKKSGSMBMQ-JHJVBQTASA-N 2 0 226.364 1.628 20 0 BDADRP CO[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)CC1 ZINC000647538030 384662778 /nfs/dbraw/zinc/66/27/78/384662778.db2.gz CPZFYUYVPSNRSO-CYBMUJFWSA-N 2 0 226.364 1.487 20 0 BDADRP COC[C@@H](C)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000647542047 384703332 /nfs/dbraw/zinc/70/33/32/384703332.db2.gz KPHBBYDTGOEOMM-JSGCOSHPSA-N 2 0 240.391 1.590 20 0 BDADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CO[C@H](C)C1 ZINC000647190816 384710851 /nfs/dbraw/zinc/71/08/51/384710851.db2.gz QFFQEMDITAAKHY-FRRDWIJNSA-N 2 0 244.379 1.110 20 0 BDADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CO[C@@H](C)C1 ZINC000647190819 384711308 /nfs/dbraw/zinc/71/13/08/384711308.db2.gz QFFQEMDITAAKHY-YNEHKIRRSA-N 2 0 244.379 1.110 20 0 BDADRP c1nc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)co1 ZINC000647544003 384714523 /nfs/dbraw/zinc/71/45/23/384714523.db2.gz VJQODPSQXJMBDM-QWHCGFSZSA-N 2 0 249.358 1.886 20 0 BDADRP c1nc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)co1 ZINC000647544001 384714603 /nfs/dbraw/zinc/71/46/03/384714603.db2.gz VJQODPSQXJMBDM-CHWSQXEVSA-N 2 0 249.358 1.886 20 0 BDADRP C[C@H]1C[NH2+]C[C@@H](NCC2([NH3+])CCCCC2)C1 ZINC000647546542 384728895 /nfs/dbraw/zinc/72/88/95/384728895.db2.gz ORIZXKOBGIOGMC-NEPJUHHUSA-N 2 0 225.380 1.236 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](N[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000647546194 384731754 /nfs/dbraw/zinc/73/17/54/384731754.db2.gz DISIBYGPEAARIW-UMSGYPCISA-N 2 0 225.380 1.092 20 0 BDADRP C[C@H]1C[NH2+]C[C@@H](NCC2([NH3+])CCCCCC2)C1 ZINC000647546675 384733328 /nfs/dbraw/zinc/73/33/28/384733328.db2.gz VNLDKVRHWQZOSB-OLZOCXBDSA-N 2 0 239.407 1.626 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC[NH2+]1 ZINC000647547393 384735540 /nfs/dbraw/zinc/73/55/40/384735540.db2.gz UYJVFNKWXRAVIW-XVIXHAIJSA-N 3 0 237.391 1.105 20 0 BDADRP C[C@H]1CNC[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000647547989 384749901 /nfs/dbraw/zinc/74/99/01/384749901.db2.gz QJUBRCGVHQUSTI-SYQHCUMBSA-N 2 0 239.407 1.339 20 0 BDADRP C1CC2(C1)C[C@@H](N[C@@H]1CCC[NH2+]C1)CC[NH2+]2 ZINC000647547821 384750688 /nfs/dbraw/zinc/75/06/88/384750688.db2.gz GMNMFDBCGOAMJI-NWDGAFQWSA-N 2 0 223.364 1.003 20 0 BDADRP CS[C@H](CO)[C@H](C)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000300396567 384752278 /nfs/dbraw/zinc/75/22/78/384752278.db2.gz FJHAHZZJRYMPKO-FIQHERPVSA-N 2 0 246.420 1.206 20 0 BDADRP C[C@@H]1CNC[C@H]([NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC000647552120 384757720 /nfs/dbraw/zinc/75/77/20/384757720.db2.gz GRFMCPRHQLEITN-RJZJGCCBSA-N 2 0 239.407 1.447 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000565661568 384765624 /nfs/dbraw/zinc/76/56/24/384765624.db2.gz ULCAJRNTBBYWQY-CYBMUJFWSA-N 2 0 235.331 1.194 20 0 BDADRP C[N@H+](CCCCCF)CCOCC[NH3+] ZINC000308503154 384768684 /nfs/dbraw/zinc/76/86/84/384768684.db2.gz XRALJGAOECPIRX-UHFFFAOYSA-N 2 0 206.305 1.033 20 0 BDADRP CC[N@H+](CCC[NH2+]C)C[C@H]1CCCO1 ZINC000042470418 384816293 /nfs/dbraw/zinc/81/62/93/384816293.db2.gz MVUZXZLMKNTIJN-LLVKDONJSA-N 2 0 200.326 1.097 20 0 BDADRP C[N@H+](CCCCCO)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375752333 384818845 /nfs/dbraw/zinc/81/88/45/384818845.db2.gz CQQBQCWWJSQKLF-PBWFPOADSA-N 2 0 240.391 1.706 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC[C@@H]1CCCO1 ZINC000126914987 384828636 /nfs/dbraw/zinc/82/86/36/384828636.db2.gz BXRHWIHVIRVCFW-UTUOFQBUSA-N 2 0 212.337 1.225 20 0 BDADRP C[C@H](C[NH3+])N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000398184697 384835581 /nfs/dbraw/zinc/83/55/81/384835581.db2.gz ILEDWMWURYAKEZ-NFAWXSAZSA-N 2 0 247.386 1.586 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C2CCC(C[NH+](C)C)CC2)CO1 ZINC000647196384 384788623 /nfs/dbraw/zinc/78/86/23/384788623.db2.gz ZOTXBLPNEUOSEC-ABXWRUBCSA-N 2 0 240.391 1.874 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+]C[C@H]1CC[C@H](C)O1 ZINC000398102153 384804953 /nfs/dbraw/zinc/80/49/53/384804953.db2.gz XUVKQNNEPAYJPZ-SDDRHHMPSA-N 2 0 214.353 1.517 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCC[NH2+]CC2)O1 ZINC000398107443 384808687 /nfs/dbraw/zinc/80/86/87/384808687.db2.gz AHZUEXCNMGWYCV-UTUOFQBUSA-N 2 0 212.337 1.286 20 0 BDADRP C[C@H](C[NH3+])CNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000557191592 384873359 /nfs/dbraw/zinc/87/33/59/384873359.db2.gz MMGLZROJMVTNDD-DGCLKSJQSA-N 2 0 249.358 1.178 20 0 BDADRP CC(C)n1nccc1CN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000335165688 384848017 /nfs/dbraw/zinc/84/80/17/384848017.db2.gz HFMPFIPQKLVXLD-STQMWFEESA-N 2 0 248.374 1.505 20 0 BDADRP CC(C)n1nccc1CN1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000335165687 384848945 /nfs/dbraw/zinc/84/89/45/384848945.db2.gz HFMPFIPQKLVXLD-QWHCGFSZSA-N 2 0 248.374 1.505 20 0 BDADRP C[C@H]([NH2+]CCCOC(F)F)[C@H]1CCCC[NH2+]1 ZINC000398294713 384894873 /nfs/dbraw/zinc/89/48/73/384894873.db2.gz BZFIYTNOPOSMOC-VHSXEESVSA-N 2 0 236.306 1.736 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)CCCC[NH3+])N(C)C ZINC000308646284 384894935 /nfs/dbraw/zinc/89/49/35/384894935.db2.gz HOLBLHBXBFHANK-WDEREUQCSA-N 2 0 201.358 1.044 20 0 BDADRP CC(C)[C@@H](CO)[NH2+][C@H](C)CCCC[NH3+] ZINC000308646548 384897148 /nfs/dbraw/zinc/89/71/48/384897148.db2.gz HRHGMUXOABPBRO-GHMZBOCLSA-N 2 0 202.342 1.110 20 0 BDADRP CC(C)C[C@@H]([NH3+])c1noc(CC2([NH3+])CCC2)n1 ZINC000647130024 384909975 /nfs/dbraw/zinc/90/99/75/384909975.db2.gz XNZXGZVMCAKDBS-SECBINFHSA-N 2 0 238.335 1.539 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCc1ccc(F)cc1F ZINC000259203284 384959046 /nfs/dbraw/zinc/95/90/46/384959046.db2.gz WYMAVHBRJMYYDW-STQMWFEESA-N 2 0 240.297 1.977 20 0 BDADRP COC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000401143505 533095495 /nfs/dbraw/zinc/09/54/95/533095495.db2.gz NHNXRRKYCVNFFY-FQUUOJAGSA-N 2 0 238.375 1.389 20 0 BDADRP C[C@@H]([NH3+])CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000257741029 384924449 /nfs/dbraw/zinc/92/44/49/384924449.db2.gz BKQMNWVSBQXHHU-CHWSQXEVSA-N 2 0 225.380 1.141 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCc1cc(F)ccc1F ZINC000258804758 384935775 /nfs/dbraw/zinc/93/57/75/384935775.db2.gz CJIZTDGYFKCDLK-STQMWFEESA-N 2 0 240.297 1.977 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000162173923 384943396 /nfs/dbraw/zinc/94/33/96/384943396.db2.gz RPXNLRUFPYNCMS-MRVWCRGKSA-N 2 0 242.407 1.856 20 0 BDADRP COc1ccc(CC[NH2+]CC(C)(C)[NH3+])cc1F ZINC000258883906 384944072 /nfs/dbraw/zinc/94/40/72/384944072.db2.gz QMHLSTVCDJYACU-UHFFFAOYSA-N 2 0 240.322 1.704 20 0 BDADRP c1cncc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000127951795 384966773 /nfs/dbraw/zinc/96/67/73/384966773.db2.gz NNGFNXBMGMWBOO-HUUCEWRRSA-N 2 0 245.370 1.841 20 0 BDADRP Cc1nc(CC[NH2+]C[C@@H]2CCC[NH2+]C2)cs1 ZINC000226316259 384970900 /nfs/dbraw/zinc/97/09/00/384970900.db2.gz UENRLMXKDJVKFY-LLVKDONJSA-N 2 0 239.388 1.583 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCOCC1CCC1 ZINC000518360347 384975981 /nfs/dbraw/zinc/97/59/81/384975981.db2.gz VOTNWWAODCMYJH-KGLIPLIRSA-N 2 0 240.391 1.910 20 0 BDADRP CC[C@@H](O)C[NH2+][C@@H](C)C(C)(C)C[NH+](C)C ZINC000644574322 384977170 /nfs/dbraw/zinc/97/71/70/384977170.db2.gz OJBQWYIBFQENCO-WDEREUQCSA-N 2 0 216.369 1.323 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC2CCOCC2)CC[N@@H+]1C ZINC000310332226 384986661 /nfs/dbraw/zinc/98/66/61/384986661.db2.gz ZAFYAAJESYRAEK-TZMCWYRMSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)[NH+](CCC[NH2+]C[C@@H](C)O)C(C)C ZINC000644581468 384989186 /nfs/dbraw/zinc/98/91/86/384989186.db2.gz VCKPLMWTKPZDLH-GFCCVEGCSA-N 2 0 216.369 1.466 20 0 BDADRP CO[C@H](C)C[N@H+](C[C@@H]1CCC[NH2+]C1)C(C)C ZINC000226438853 385022969 /nfs/dbraw/zinc/02/29/69/385022969.db2.gz PCZDBOYFENGHLZ-CHWSQXEVSA-N 2 0 228.380 1.731 20 0 BDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCc1ccccc1 ZINC000404789853 385061581 /nfs/dbraw/zinc/06/15/81/385061581.db2.gz QVDRLMAACBDANJ-STQMWFEESA-N 2 0 218.344 1.945 20 0 BDADRP C[C@](CN)([NH2+]CCC1CC[NH2+]CC1)C1CC1 ZINC000359215964 385064030 /nfs/dbraw/zinc/06/40/30/385064030.db2.gz KQVSYVYBIIAERY-CYBMUJFWSA-N 2 0 225.380 1.093 20 0 BDADRP CC(C)(O)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000087010689 385064086 /nfs/dbraw/zinc/06/40/86/385064086.db2.gz YGRXYAYSBKXASA-UHFFFAOYSA-N 2 0 249.358 1.411 20 0 BDADRP OCCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157092160 385067610 /nfs/dbraw/zinc/06/76/10/385067610.db2.gz XRBGYKTXGKZIGZ-CYBMUJFWSA-N 2 0 226.364 1.319 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)CO1 ZINC000647206350 385026799 /nfs/dbraw/zinc/02/67/99/385026799.db2.gz PSRFCCHJSYWWHR-QWHCGFSZSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000310547573 385111718 /nfs/dbraw/zinc/11/17/18/385111718.db2.gz SVHUTMKQCNIJQY-RYUDHWBXSA-N 2 0 239.363 1.599 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1NCCC[NH+]1CCCCC1 ZINC000404876715 385121747 /nfs/dbraw/zinc/12/17/47/385121747.db2.gz XCNACDNPTNBOEW-CHWSQXEVSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000404837765 385095914 /nfs/dbraw/zinc/09/59/14/385095914.db2.gz ASKNTAAGZFPOMS-VLEAKVRGSA-N 2 0 212.337 1.127 20 0 BDADRP COC1(CC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)CCC1 ZINC000310539229 385107477 /nfs/dbraw/zinc/10/74/77/385107477.db2.gz BQQDKHNOUITWAW-QWHCGFSZSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H](O)CCC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000308813283 385182257 /nfs/dbraw/zinc/18/22/57/385182257.db2.gz AIOOFLIMYWNIEI-SRVKXCTJSA-N 2 0 214.353 1.077 20 0 BDADRP C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)C1CC[NH2+]CC1 ZINC000336366156 385184516 /nfs/dbraw/zinc/18/45/16/385184516.db2.gz XFDJQPNKKAWZCX-CQSZACIVSA-N 3 0 237.391 1.062 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000422721373 385201886 /nfs/dbraw/zinc/20/18/86/385201886.db2.gz VFMIKSSCTOOWSD-RWMBFGLXSA-N 2 0 227.396 1.304 20 0 BDADRP CCC[NH+]1CCC([NH2+]CC[C@H](O)CC)CC1 ZINC000157364177 385150880 /nfs/dbraw/zinc/15/08/80/385150880.db2.gz ZQNBGOLXKIYLRF-CYBMUJFWSA-N 2 0 228.380 1.611 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CC23CC3)[C@H](C)C1 ZINC000424320053 385160189 /nfs/dbraw/zinc/16/01/89/385160189.db2.gz IPTCDMJSBDZZMZ-WOPDTQHZSA-N 2 0 208.349 1.859 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCCO1 ZINC000252711420 385207841 /nfs/dbraw/zinc/20/78/41/385207841.db2.gz JLDSDNGIJQPGTL-GRYCIOLGSA-N 2 0 212.337 1.095 20 0 BDADRP C([C@H]1CCSC1)[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482658 385212037 /nfs/dbraw/zinc/21/20/37/385212037.db2.gz WMDHWVPFABQADT-LLVKDONJSA-N 2 0 240.416 1.956 20 0 BDADRP [NH3+]Cc1ccc(NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000107796900 385214009 /nfs/dbraw/zinc/21/40/09/385214009.db2.gz WEFWXNXRBYVQOD-GFCCVEGCSA-N 2 0 219.332 1.557 20 0 BDADRP [NH3+]C1(c2noc([C@@]34CCC[C@@H]3C[NH2+]C4)n2)CCC1 ZINC000647140995 385270869 /nfs/dbraw/zinc/27/08/69/385270869.db2.gz ZARNHSSJXNGXOV-BXKDBHETSA-N 2 0 248.330 1.049 20 0 BDADRP [NH3+]C1(c2noc(CCc3c[nH]cn3)n2)CCCC1 ZINC000517029605 385272145 /nfs/dbraw/zinc/27/21/45/385272145.db2.gz WVYUULIKNJAHSA-UHFFFAOYSA-N 2 0 247.302 1.306 20 0 BDADRP CO[C@@H](C[NH2+]CC1(N(C)C)CC1)C1CC1 ZINC000400126938 385293332 /nfs/dbraw/zinc/29/33/32/385293332.db2.gz OQXOVBFJTTXGIU-NSHDSACASA-N 2 0 212.337 1.095 20 0 BDADRP C[N@H+](CCCn1ccnc1)C[C@H]1CCOC1 ZINC000178434205 385372906 /nfs/dbraw/zinc/37/29/06/385372906.db2.gz CSUYWBAOIVOZKJ-GFCCVEGCSA-N 2 0 223.320 1.242 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(N)nc2)C1 ZINC000647496549 385390451 /nfs/dbraw/zinc/39/04/51/385390451.db2.gz SXPLKBWGRFSJQX-PWSUYJOCSA-N 2 0 234.347 1.053 20 0 BDADRP C[C@H]([NH2+]CCCC[NH+](C)C)[C@H]1CCCO1 ZINC000309031284 385379351 /nfs/dbraw/zinc/37/93/51/385379351.db2.gz BTZLTQXNNAANBC-NWDGAFQWSA-N 2 0 214.353 1.485 20 0 BDADRP COC1(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CCC1 ZINC000180194325 385385241 /nfs/dbraw/zinc/38/52/41/385385241.db2.gz DENKZZUOTMJVRW-RYUDHWBXSA-N 2 0 226.364 1.628 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CCC[NH+]1CCCC1 ZINC000308972973 385327617 /nfs/dbraw/zinc/32/76/17/385327617.db2.gz AXMUBTPBZGYXQV-LBPRGKRZSA-N 3 0 213.369 1.189 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2[NH2+]CC2(C)C)cc1 ZINC000644072849 385419425 /nfs/dbraw/zinc/41/94/25/385419425.db2.gz KCFJNPHOBMKFAM-CABZTGNLSA-N 2 0 247.342 1.643 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(CO)cc2)C1 ZINC000156176869 385439757 /nfs/dbraw/zinc/43/97/57/385439757.db2.gz AAPWCFGKKRMBMA-HNNXBMFYSA-N 2 0 248.370 1.562 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](C)OC)C1 ZINC000182215690 385433906 /nfs/dbraw/zinc/43/39/06/385433906.db2.gz SHSOXAKXSQBCLE-NEPJUHHUSA-N 2 0 214.353 1.295 20 0 BDADRP CC(C)CCC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000336720473 385468297 /nfs/dbraw/zinc/46/82/97/385468297.db2.gz WQXLTGUSDYCLIH-AWEZNQCLSA-N 2 0 239.407 1.402 20 0 BDADRP C([C@H]1CCCCO1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257705475 385490692 /nfs/dbraw/zinc/49/06/92/385490692.db2.gz RCVVBISYTBQCNZ-OLZOCXBDSA-N 2 0 224.348 1.241 20 0 BDADRP C([C@H]1CCCCO1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257745235 385497062 /nfs/dbraw/zinc/49/70/62/385497062.db2.gz ZOBYPZWTSWLLOR-ZIAGYGMSSA-N 2 0 238.375 1.631 20 0 BDADRP c1cn2c(n1)C[C@@H]([NH2+]C[C@H]1CCSC1)CC2 ZINC000309337585 385537656 /nfs/dbraw/zinc/53/76/56/385537656.db2.gz AXQGLEXKCOQEGC-MNOVXSKESA-N 2 0 237.372 1.541 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@H]1CCc2ccccc2C1 ZINC000309354282 385546507 /nfs/dbraw/zinc/54/65/07/385546507.db2.gz NTFXIMITUYGZCR-RISCZKNCSA-N 2 0 218.344 1.728 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000309307470 385526029 /nfs/dbraw/zinc/52/60/29/385526029.db2.gz DNNFFPBILZJLPG-AGIUHOORSA-N 2 0 228.380 1.645 20 0 BDADRP CCN(CC[NH2+][C@H](C)CCCC[NH3+])C1CC1 ZINC000309417996 385574677 /nfs/dbraw/zinc/57/46/77/385574677.db2.gz WLADLSLTJQRNSZ-GFCCVEGCSA-N 2 0 227.396 1.578 20 0 BDADRP CN(C)[C@@H](C(=O)NCCCC[NH3+])c1ccccc1 ZINC000181042392 385560874 /nfs/dbraw/zinc/56/08/74/385560874.db2.gz CKKCFYMNICZEMK-CYBMUJFWSA-N 2 0 249.358 1.144 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCC1(O)CCC1 ZINC000336677007 385606812 /nfs/dbraw/zinc/60/68/12/385606812.db2.gz BICKYZBRCVMHID-RYUDHWBXSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)CC[NH+](C)C ZINC000336680177 385629454 /nfs/dbraw/zinc/62/94/54/385629454.db2.gz GJKPQUHDWUSXSH-MNOVXSKESA-N 3 0 201.358 1.044 20 0 BDADRP Cc1nc(C)c(C[NH2+]C[C@@H](C)C[NH3+])s1 ZINC000336682823 385644169 /nfs/dbraw/zinc/64/41/69/385644169.db2.gz IQNDGGLDRKWJAG-ZETCQYMHSA-N 2 0 213.350 1.444 20 0 BDADRP Cc1nn(C)cc1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414855496 385701342 /nfs/dbraw/zinc/70/13/42/385701342.db2.gz WTWDMYFNYWCCBW-GFCCVEGCSA-N 2 0 236.363 1.208 20 0 BDADRP C[C@H](CCC1CC1)[NH2+]CCOCC[NH+](C)C ZINC000309572901 385703479 /nfs/dbraw/zinc/70/34/79/385703479.db2.gz OCJOELWNGWCNJC-GFCCVEGCSA-N 2 0 228.380 1.733 20 0 BDADRP CC(C)([NH3+])CNCC1([NH3+])CCCCCC1 ZINC000414856824 385713622 /nfs/dbraw/zinc/71/36/22/385713622.db2.gz AWDQINGBFBMOOC-UHFFFAOYSA-N 2 0 213.369 1.365 20 0 BDADRP C[C@H](NC(=O)CCC(C)(C)[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000647718716 385668081 /nfs/dbraw/zinc/66/80/81/385668081.db2.gz GKQCUCJXAXKEPX-WDEREUQCSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@H](NC(=O)CCC(C)(C)[NH3+])[C@H]1CCC[NH2+]C1 ZINC000647718715 385668189 /nfs/dbraw/zinc/66/81/89/385668189.db2.gz GKQCUCJXAXKEPX-QWRGUYRKSA-N 2 0 241.379 1.008 20 0 BDADRP COCC1([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647791734 385668550 /nfs/dbraw/zinc/66/85/50/385668550.db2.gz LLSYSJCOVDETPF-QJPTWQEYSA-N 2 0 224.348 1.143 20 0 BDADRP C[NH2+]CCC[NH2+]Cc1cccc(COC)c1 ZINC000414859039 385733806 /nfs/dbraw/zinc/73/38/06/385733806.db2.gz LWBPBINKWBTCOB-UHFFFAOYSA-N 2 0 222.332 1.532 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCSC1 ZINC000336698450 385753261 /nfs/dbraw/zinc/75/32/61/385753261.db2.gz VLXVMOPUVRSMNC-GHMZBOCLSA-N 2 0 216.394 1.989 20 0 BDADRP C[C@H](C[C@@H]1COCCN1)[NH2+][C@@H]1CCC[C@H](F)C1 ZINC000647799285 385799077 /nfs/dbraw/zinc/79/90/77/385799077.db2.gz CKJISDVKMGANFF-YVECIDJPSA-N 2 0 244.354 1.624 20 0 BDADRP COCC[C@H](C)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647799988 385801593 /nfs/dbraw/zinc/80/15/93/385801593.db2.gz WBSKPPGNLGRXHC-IGQOVBAYSA-N 2 0 240.391 1.637 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccn(C)n1 ZINC000647799762 385801813 /nfs/dbraw/zinc/80/18/13/385801813.db2.gz QDFCBAAQPXBKOB-UMSGYPCISA-N 2 0 248.374 1.459 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCC[NH2+]C1 ZINC000414867451 385802175 /nfs/dbraw/zinc/80/21/75/385802175.db2.gz OFEVZYVUOCBSPI-HZSPNIEDSA-N 2 0 239.407 1.639 20 0 BDADRP COC[C@H](CC(C)C)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414946658 385808883 /nfs/dbraw/zinc/80/88/83/385808883.db2.gz UQBUCIXKCRSAKJ-FRRDWIJNSA-N 2 0 228.380 1.635 20 0 BDADRP CC(C)CC[C@H](O)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000521426621 385814228 /nfs/dbraw/zinc/81/42/28/385814228.db2.gz JOMMKFXASQDQEJ-RDBSUJKOSA-N 2 0 242.407 1.856 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@H]1CC[NH2+][C@H](C)C1 ZINC000414954519 385828862 /nfs/dbraw/zinc/82/88/62/385828862.db2.gz SQMYNBHJRWLREK-WOPDTQHZSA-N 2 0 213.369 1.090 20 0 BDADRP C[C@@H]1CCCC[C@@H]1C[NH2+]CCN1CC[NH2+]CC1 ZINC000414869560 385836001 /nfs/dbraw/zinc/83/60/01/385836001.db2.gz RFIDAYKAWVXBPA-ZIAGYGMSSA-N 2 0 239.407 1.308 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000414869594 385836846 /nfs/dbraw/zinc/83/68/46/385836846.db2.gz ASDWEOYFYAENNO-NSHDSACASA-N 2 0 244.342 1.761 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCS[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000647804535 385840482 /nfs/dbraw/zinc/84/04/82/385840482.db2.gz TUILWTYLTGPIMF-LMLFDSFASA-N 2 0 214.378 1.611 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCS[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000647804540 385840884 /nfs/dbraw/zinc/84/08/84/385840884.db2.gz TUILWTYLTGPIMF-YTWAJWBKSA-N 2 0 214.378 1.611 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CC1CCC(F)CC1 ZINC000647804577 385842271 /nfs/dbraw/zinc/84/22/71/385842271.db2.gz VBZVMJWSCTXGHJ-QQFIATSDSA-N 2 0 214.328 1.984 20 0 BDADRP CC[N@H+](C[C@@H](O)CN(C)C1CC1)CC(C)(C)C ZINC000336725452 385844518 /nfs/dbraw/zinc/84/45/18/385844518.db2.gz VCSZBLREVKEUBK-ZDUSSCGKSA-N 2 0 242.407 1.810 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000414871133 385854320 /nfs/dbraw/zinc/85/43/20/385854320.db2.gz DAIRISIRXAKKMS-SECBINFHSA-N 2 0 218.304 1.247 20 0 BDADRP C[C@H](C[NH2+][C@H](C)[C@@H]1CCCO1)C[NH+](C)C ZINC000336706845 385793923 /nfs/dbraw/zinc/79/39/23/385793923.db2.gz ROIXCXGSXWIGTA-UTUOFQBUSA-N 2 0 214.353 1.341 20 0 BDADRP CC(C)C[C@H](C)N(C)C(=O)CN(C)CCC[NH3+] ZINC000647848551 385899205 /nfs/dbraw/zinc/89/92/05/385899205.db2.gz TYRWEXAJAAKZKM-LBPRGKRZSA-N 2 0 243.395 1.160 20 0 BDADRP C([NH2+]C1CCN(C[C@@H]2CC[NH2+]C2)CC1)C1CC1 ZINC000647850137 385900941 /nfs/dbraw/zinc/90/09/41/385900941.db2.gz MCUMTQWMNMANKG-CYBMUJFWSA-N 2 0 237.391 1.060 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000236757622 259677671 /nfs/dbraw/zinc/67/76/71/259677671.db2.gz UZRZHTTYYIYDDD-NEPJUHHUSA-N 2 0 243.395 1.336 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000335037664 385929396 /nfs/dbraw/zinc/92/93/96/385929396.db2.gz DCSISZRXUWAKIS-JSGCOSHPSA-N 3 0 239.407 1.306 20 0 BDADRP Cc1nc2ccccn2c1C[NH2+]C[C@@H](C)C[NH3+] ZINC000414877328 385921627 /nfs/dbraw/zinc/92/16/27/385921627.db2.gz MKTDXSNHFLHSKR-JTQLQIEISA-N 2 0 232.331 1.327 20 0 BDADRP CCC[NH2+]CCN[C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000414877519 385921844 /nfs/dbraw/zinc/92/18/44/385921844.db2.gz XSROFRYVVLSFBW-NWDGAFQWSA-N 2 0 213.369 1.106 20 0 BDADRP Cc1cccn2c(C[NH2+][C@@H](C)CC[NH3+])cnc12 ZINC000414877535 385925358 /nfs/dbraw/zinc/92/53/58/385925358.db2.gz GCHSMXPDGJFLBI-NSHDSACASA-N 2 0 232.331 1.470 20 0 BDADRP CCC[NH2+]CCN[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000414871759 385860237 /nfs/dbraw/zinc/86/02/37/385860237.db2.gz OLAWCXQWWRGZAF-CHWSQXEVSA-N 2 0 227.396 1.306 20 0 BDADRP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@H]1CC[C@@H](C)O1 ZINC000308989642 385927932 /nfs/dbraw/zinc/92/79/32/385927932.db2.gz VOBYBMCPNLDTED-UTUOFQBUSA-N 2 0 214.353 1.517 20 0 BDADRP C[NH2+][C@@H]1CCCN(CCCC2CC[NH2+]CC2)C1 ZINC000647830737 385872579 /nfs/dbraw/zinc/87/25/79/385872579.db2.gz PTDMFLMOAKREFZ-CQSZACIVSA-N 2 0 239.407 1.450 20 0 BDADRP CC(C)([NH3+])CCC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000647767384 385882406 /nfs/dbraw/zinc/88/24/06/385882406.db2.gz HLLOFFFVIUDMNN-LBPRGKRZSA-N 2 0 249.358 1.320 20 0 BDADRP C[C@H]1C[N@H+](CCC[NH+]2CCCCC2)CC[C@@H]1O ZINC000189244773 385976503 /nfs/dbraw/zinc/97/65/03/385976503.db2.gz BNUSZNCXPSGADQ-KBPBESRZSA-N 2 0 240.391 1.565 20 0 BDADRP C([NH2+][C@@H]1CCC12CCC2)[C@H]1CCC[NH2+]C1 ZINC000335019551 385978445 /nfs/dbraw/zinc/97/84/45/385978445.db2.gz PXNXXJWKVICCLG-NWDGAFQWSA-N 2 0 208.349 1.908 20 0 BDADRP C[NH+](C)C1CN(c2cc[nH+]c3ccccc32)C1 ZINC000273213367 385979561 /nfs/dbraw/zinc/97/95/61/385979561.db2.gz GXYJYNLXIGHPHH-UHFFFAOYSA-N 2 0 227.311 1.985 20 0 BDADRP CC[NH+](CC)CCOCC[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000414132807 385981055 /nfs/dbraw/zinc/98/10/55/385981055.db2.gz MUVXVOXUJUKGGB-MCIONIFRSA-N 2 0 242.407 1.979 20 0 BDADRP C1CC1[C@@H]1CCC[C@H]([NH2+][C@H]2CC[NH2+]C2)C1 ZINC000414881374 385991341 /nfs/dbraw/zinc/99/13/41/385991341.db2.gz KYOBMOLBSDIICD-AGIUHOORSA-N 2 0 208.349 1.907 20 0 BDADRP OC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCCC1 ZINC000335040274 385933771 /nfs/dbraw/zinc/93/37/71/385933771.db2.gz DSGDERZCZORIGW-FUNVUKJBSA-N 2 0 238.375 1.554 20 0 BDADRP CC[NH+](CC)CCCN1CCC(C)([NH3+])CC1 ZINC000647924090 385939226 /nfs/dbraw/zinc/93/92/26/385939226.db2.gz DXIVZDHRHPNNHK-UHFFFAOYSA-N 2 0 227.396 1.532 20 0 BDADRP C[C@@H]([NH2+]CCCC[NH+](C)C)[C@]1(C)CCCO1 ZINC000336746581 385939532 /nfs/dbraw/zinc/93/95/32/385939532.db2.gz RMMPWLNXWBMJKR-OLZOCXBDSA-N 2 0 228.380 1.875 20 0 BDADRP COc1cccc2c1CC[C@@H]([NH2+]C[C@H](C)C[NH3+])C2 ZINC000414878664 385940208 /nfs/dbraw/zinc/94/02/08/385940208.db2.gz OOVVYPCNUJSKCJ-DGCLKSJQSA-N 2 0 248.370 1.737 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1NCc1ccoc1 ZINC000335046078 385940930 /nfs/dbraw/zinc/94/09/30/385940930.db2.gz ZLVBXAYNKZGRLC-CMPLNLGQSA-N 2 0 208.305 1.757 20 0 BDADRP Cc1cc(C[NH2+]CCCC[NH+](C)C)on1 ZINC000309038508 385941019 /nfs/dbraw/zinc/94/10/19/385941019.db2.gz IBBUYLBBDPVVCP-UHFFFAOYSA-N 2 0 211.309 1.414 20 0 BDADRP C[C@H]([NH3+])CCC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000295002673 385942225 /nfs/dbraw/zinc/94/22/25/385942225.db2.gz IIBDYMZBUXIKPR-JTQLQIEISA-N 2 0 247.342 1.398 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CCCC[C@@H]1[C@@H](C)O ZINC000338304736 385951556 /nfs/dbraw/zinc/95/15/56/385951556.db2.gz HKSZJMHPXDWCAF-ZIAGYGMSSA-N 2 0 242.407 1.954 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC[C@H]2CCCO2)C1 ZINC000251469830 385954542 /nfs/dbraw/zinc/95/45/42/385954542.db2.gz DMQJQCHNVTZWIZ-YNEHKIRRSA-N 2 0 226.364 1.615 20 0 BDADRP CC[NH+](CC)CCC[N@H+](C[C@@H](C)O)C(C)C ZINC000338308814 385956462 /nfs/dbraw/zinc/95/64/62/385956462.db2.gz SREQKTCPVIMDFN-CYBMUJFWSA-N 2 0 230.396 1.810 20 0 BDADRP CC1([NH3+])CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000647924970 385962445 /nfs/dbraw/zinc/96/24/45/385962445.db2.gz ZKXGSMMOZAARMB-GFCCVEGCSA-N 3 0 225.380 1.189 20 0 BDADRP C[C@@]1(C[NH2+]CCC[C@H]2CCC[NH2+]2)CC[NH2+]C1 ZINC000414970618 385963055 /nfs/dbraw/zinc/96/30/55/385963055.db2.gz VLWPJFDSSYEPGW-STQMWFEESA-N 3 0 225.380 1.108 20 0 BDADRP C[C@]1(C[NH2+]CCC[C@@H]2CCC[NH2+]2)CC[NH2+]C1 ZINC000414970615 385964293 /nfs/dbraw/zinc/96/42/93/385964293.db2.gz VLWPJFDSSYEPGW-CHWSQXEVSA-N 3 0 225.380 1.108 20 0 BDADRP Cc1cc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)ccn1 ZINC000335012645 385968712 /nfs/dbraw/zinc/96/87/12/385968712.db2.gz RBVXEMNPWQFDRX-RISCZKNCSA-N 2 0 233.359 1.868 20 0 BDADRP CC(C)CCC[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000338424524 385998616 /nfs/dbraw/zinc/99/86/16/385998616.db2.gz XPXNZRSSGZGYHC-AWEZNQCLSA-N 2 0 241.423 1.648 20 0 BDADRP C[C@@H]1OCC[C@H]1[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414973966 386000696 /nfs/dbraw/zinc/00/06/96/386000696.db2.gz NGAGHXYQFRRNFJ-QJPTWQEYSA-N 2 0 212.337 1.286 20 0 BDADRP C[NH2+]Cc1ccc(NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000414980770 386055805 /nfs/dbraw/zinc/05/58/05/386055805.db2.gz WRVLSZMFBLRHOS-CYBMUJFWSA-N 2 0 233.359 1.818 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+][C@@H]1CCC[C@H]1O ZINC000414154717 386003210 /nfs/dbraw/zinc/00/32/10/386003210.db2.gz UCGPPOQGUKPOSP-NZEXEKPDSA-N 2 0 226.364 1.218 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+]CC[C@@H]1CCOC1 ZINC000336770201 386011196 /nfs/dbraw/zinc/01/11/96/386011196.db2.gz WJKXSTYUIYVZQK-NWDGAFQWSA-N 2 0 214.353 1.343 20 0 BDADRP COC1(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CCCC1 ZINC000309493060 386016079 /nfs/dbraw/zinc/01/60/79/386016079.db2.gz JHSZOSDGFGSMAZ-NWDGAFQWSA-N 2 0 226.364 1.805 20 0 BDADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2CCOC2(C)C)C1 ZINC000414188413 386028506 /nfs/dbraw/zinc/02/85/06/386028506.db2.gz QFLTYORVAOBDQN-STQMWFEESA-N 2 0 240.391 1.875 20 0 BDADRP [NH3+][C@H](C[NH2+][C@@H]1CCC[C@@H]1C1CC1)C1CC1 ZINC000414883851 386034546 /nfs/dbraw/zinc/03/45/46/386034546.db2.gz DSGGRXBMJXDNNL-JHJVBQTASA-N 2 0 208.349 1.892 20 0 BDADRP [NH3+][C@H](C[NH2+][C@@H]1CCC[C@H]1C1CC1)C1CC1 ZINC000414883856 386035658 /nfs/dbraw/zinc/03/56/58/386035658.db2.gz DSGGRXBMJXDNNL-YNEHKIRRSA-N 2 0 208.349 1.892 20 0 BDADRP c1cnn(-c2cc[nH+]cc2NCc2ncc[nH]2)c1 ZINC000345180710 386049961 /nfs/dbraw/zinc/04/99/61/386049961.db2.gz CIRMCPFRIPWLHV-UHFFFAOYSA-N 2 0 240.270 1.603 20 0 BDADRP CCOC[C@@H](C)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414979138 386052513 /nfs/dbraw/zinc/05/25/13/386052513.db2.gz VCGOKWHTUZMJQY-NEPJUHHUSA-N 2 0 214.353 1.533 20 0 BDADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H](C)[NH+](C)C ZINC000345316695 386103689 /nfs/dbraw/zinc/10/36/89/386103689.db2.gz ARMXJIPBZMTSTQ-QWRGUYRKSA-N 2 0 243.395 1.219 20 0 BDADRP C[C@@H]1CCCN(CC[NH2+]C(C)(C)C)[C@@H]1C[NH3+] ZINC000414665187 386107398 /nfs/dbraw/zinc/10/73/98/386107398.db2.gz USASTVRFVOEELR-VXGBXAGGSA-N 2 0 227.396 1.434 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC000414986857 386113141 /nfs/dbraw/zinc/11/31/41/386113141.db2.gz JQXDLIKDHKELNA-KGLIPLIRSA-N 2 0 248.370 1.879 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CCC([C@@H](C)[NH3+])CC1 ZINC000414665787 386118067 /nfs/dbraw/zinc/11/80/67/386118067.db2.gz FSXVTXWWVQQYBO-DGCLKSJQSA-N 2 0 227.396 1.419 20 0 BDADRP C[C@@H]1C[C@@H](C[N@H+](CCO)C2CCCC2)CC[NH2+]1 ZINC000414667169 386120641 /nfs/dbraw/zinc/12/06/41/386120641.db2.gz HAUDWLLSKQLXGV-OLZOCXBDSA-N 2 0 240.391 1.611 20 0 BDADRP COc1ccccc1/C=C\C[NH2+]C[C@H](C)C[NH3+] ZINC000414885503 386060570 /nfs/dbraw/zinc/06/05/70/386060570.db2.gz XAKSFIKUFWLKTI-SMYYYNMVSA-N 2 0 234.343 1.893 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000336753530 386063075 /nfs/dbraw/zinc/06/30/75/386063075.db2.gz GXPPLVZSPYUQFS-GHMZBOCLSA-N 2 0 212.337 1.261 20 0 BDADRP C[C@H](N)[C@@H]1CCCC[N@@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414648771 386064739 /nfs/dbraw/zinc/06/47/39/386064739.db2.gz BKOGQHNLHCOEAR-RQJABVFESA-N 2 0 239.407 1.576 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCCC[C@H]2CN)CC[NH2+]1 ZINC000414652793 386075154 /nfs/dbraw/zinc/07/51/54/386075154.db2.gz HJAXMIIVHYEHSB-UPJWGTAASA-N 2 0 225.380 1.188 20 0 BDADRP CO[C@@H](C[N@H+](C)CCC[NH+]1CCCC1)C1CC1 ZINC000425443005 386076673 /nfs/dbraw/zinc/07/66/73/386076673.db2.gz LAJGGJXFJYFOOF-AWEZNQCLSA-N 2 0 240.391 1.829 20 0 BDADRP CC(C)(C)[NH2+]CCN1CCCC[C@@H]1C[NH3+] ZINC000414659452 386088103 /nfs/dbraw/zinc/08/81/03/386088103.db2.gz SMKRQBAGWCCMQX-LLVKDONJSA-N 2 0 213.369 1.188 20 0 BDADRP CC(C)(C)[NH2+]CCN1CCC(C[NH3+])CC1 ZINC000414660301 386092287 /nfs/dbraw/zinc/09/22/87/386092287.db2.gz VHOZXMUZGBDRDC-UHFFFAOYSA-N 2 0 213.369 1.045 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@H](C)CC1CCOCC1 ZINC000414985810 386099009 /nfs/dbraw/zinc/09/90/09/386099009.db2.gz IBPUHYRXXFLVJL-ZYHUDNBSSA-N 2 0 214.353 1.519 20 0 BDADRP CC(C)C[C@H]([NH3+])C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000414676378 386150814 /nfs/dbraw/zinc/15/08/14/386150814.db2.gz NEZXYDIWUDHEQX-STQMWFEESA-N 2 0 240.391 1.861 20 0 BDADRP Cc1cc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)on1 ZINC000335280506 386153800 /nfs/dbraw/zinc/15/38/00/386153800.db2.gz UAPSTIMSMWDNHX-LBPRGKRZSA-N 2 0 249.358 1.947 20 0 BDADRP CCCCCN(CCO)C[C@H]([NH3+])CC(C)C ZINC000414677766 386156706 /nfs/dbraw/zinc/15/67/06/386156706.db2.gz JOTQOHWPOVPLTM-CYBMUJFWSA-N 2 0 230.396 1.844 20 0 BDADRP Cc1ccc(CCC[NH2+][C@@H](C)CC[NH3+])cn1 ZINC000414894405 386173099 /nfs/dbraw/zinc/17/30/99/386173099.db2.gz LHXWRLMPXPBKJN-LBPRGKRZSA-N 2 0 221.348 1.650 20 0 BDADRP CC[C@H]([NH3+])CN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000414995814 386179508 /nfs/dbraw/zinc/17/95/08/386179508.db2.gz WTEYPPFHMINKQA-RWMBFGLXSA-N 2 0 227.396 1.624 20 0 BDADRP C[C@H](O)C[C@@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414692610 386183702 /nfs/dbraw/zinc/18/37/02/386183702.db2.gz CUVDJJIYGQDXOP-FQUUOJAGSA-N 2 0 240.391 1.610 20 0 BDADRP CCCN(C[C@@H]1CC[NH2+][C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000414670508 386136830 /nfs/dbraw/zinc/13/68/30/386136830.db2.gz LLBJHASANNODAI-BFHYXJOUSA-N 3 0 239.407 1.448 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCOC[C@H]2C2CC2)CC[NH2+]1 ZINC000414700960 386201869 /nfs/dbraw/zinc/20/18/69/386201869.db2.gz KJOHRLCGKPNLHE-DYEKYZERSA-N 2 0 238.375 1.485 20 0 BDADRP CCO[C@H]1C[C@H]([N@H+](C)CCC[NH3+])C1(C)C ZINC000414697223 386202621 /nfs/dbraw/zinc/20/26/21/386202621.db2.gz IGYCNKWIUHCCRJ-QWRGUYRKSA-N 2 0 214.353 1.471 20 0 BDADRP COCC(C)(C)[NH2+]C[C@H]([NH3+])CC(C)C ZINC000414704001 386209956 /nfs/dbraw/zinc/20/99/56/386209956.db2.gz JCMYMPKTDQFSLB-SNVBAGLBSA-N 2 0 202.342 1.374 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@]3(CCOC3)C2)CC[NH2+]1 ZINC000414702668 386210340 /nfs/dbraw/zinc/21/03/40/386210340.db2.gz JASBLHQZABFZLO-MGPQQGTHSA-N 2 0 238.375 1.487 20 0 BDADRP C[N@H+](CCC[NH3+])[C@@H](CCO)c1ccccc1 ZINC000414703692 386213292 /nfs/dbraw/zinc/21/32/92/386213292.db2.gz MPVJUGPCYDQBBW-ZDUSSCGKSA-N 2 0 222.332 1.391 20 0 BDADRP CCOC[C@@H]1CC[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414707108 386216563 /nfs/dbraw/zinc/21/65/63/386216563.db2.gz NLBBKVJQJJBVPA-MELADBBJSA-N 2 0 240.391 1.733 20 0 BDADRP [NH3+][C@@H]1C[C@@H](NCCn2ccnc2)c2ccccc21 ZINC000132045632 386220437 /nfs/dbraw/zinc/22/04/37/386220437.db2.gz RXJQXGXXNHKQFH-ZIAGYGMSSA-N 3 0 242.326 1.618 20 0 BDADRP COC(=O)[C@H](C)C[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414709764 386225166 /nfs/dbraw/zinc/22/51/66/386225166.db2.gz RSYWBFLFOLDZAF-UTUOFQBUSA-N 2 0 242.363 1.115 20 0 BDADRP Cc1cc(C[N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)no1 ZINC000414711408 386226508 /nfs/dbraw/zinc/22/65/08/386226508.db2.gz TXIUTFMCFIACMO-PWSUYJOCSA-N 2 0 237.347 1.803 20 0 BDADRP Cc1cc(C[N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)no1 ZINC000414711410 386227205 /nfs/dbraw/zinc/22/72/05/386227205.db2.gz TXIUTFMCFIACMO-ZYHUDNBSSA-N 2 0 237.347 1.803 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CC[N@H+](C)C[C@H]1C(C)C ZINC000414712230 386229094 /nfs/dbraw/zinc/22/90/94/386229094.db2.gz NLWURXDSBDBKEV-KGLIPLIRSA-N 2 0 241.423 1.632 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415001214 386229837 /nfs/dbraw/zinc/22/98/37/386229837.db2.gz KRIQEPIGBPWVAS-QCNOEVLYSA-N 2 0 212.337 1.271 20 0 BDADRP CCn1cc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cn1 ZINC000415001068 386230555 /nfs/dbraw/zinc/23/05/55/386230555.db2.gz BZYRIMYINADPQF-UONOGXRCSA-N 2 0 248.374 1.381 20 0 BDADRP C[N@H+](CCC[NH3+])[C@@H]1CCCN(c2ccccc2)C1 ZINC000414714493 386232744 /nfs/dbraw/zinc/23/27/44/386232744.db2.gz VTTFUQHIAZINMQ-OAHLLOKOSA-N 2 0 247.386 1.936 20 0 BDADRP CO[C@@H]1[C@H](C)[C@H]([NH2+]CCCC[NH3+])C12CCC2 ZINC000414898848 386233625 /nfs/dbraw/zinc/23/36/25/386233625.db2.gz FDWAQRFEKDPROW-GRYCIOLGSA-N 2 0 226.364 1.519 20 0 BDADRP CCN(C[C@H]([NH3+])CC(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000414717311 386241493 /nfs/dbraw/zinc/24/14/93/386241493.db2.gz PPKCSPJQLLAESB-ZIAGYGMSSA-N 2 0 241.423 1.824 20 0 BDADRP COC(=O)CC1([NH2+]C[C@H]([NH3+])CC(C)C)CCC1 ZINC000414717497 386244649 /nfs/dbraw/zinc/24/46/49/386244649.db2.gz ZPHJLDMVAOXLIW-LLVKDONJSA-N 2 0 242.363 1.435 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](C)N1CC[NH2+]C(C)(C)C ZINC000414718305 386246399 /nfs/dbraw/zinc/24/63/99/386246399.db2.gz VPVYMOKMRJVORY-PHIMTYICSA-N 2 0 213.369 1.057 20 0 BDADRP C[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CCCO2)C1 ZINC000336645579 386250739 /nfs/dbraw/zinc/25/07/39/386250739.db2.gz IEBHWVHKIMWCST-VXGBXAGGSA-N 2 0 212.337 1.049 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](CC[C@H](C)O)C1 ZINC000336645522 386251266 /nfs/dbraw/zinc/25/12/66/386251266.db2.gz IBWQEJSMLWCNPN-NWDGAFQWSA-N 2 0 214.353 1.031 20 0 BDADRP CCC1(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])COC1 ZINC000393959538 386258687 /nfs/dbraw/zinc/25/86/87/386258687.db2.gz BESVJSFVJQOXSD-NEPJUHHUSA-N 2 0 226.364 1.520 20 0 BDADRP CO[C@](C)(C[NH2+]CCC[NH+]1CCCC1)C1CC1 ZINC000310531843 386196031 /nfs/dbraw/zinc/19/60/31/386196031.db2.gz ODYOZHKNTOHHOJ-CQSZACIVSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@@H]1CN(CCC[NH3+])[C@@H](c2ccccc2)CO1 ZINC000414695612 386196299 /nfs/dbraw/zinc/19/62/99/386196299.db2.gz GTDRIKHZMWGALG-TZMCWYRMSA-N 2 0 234.343 1.797 20 0 BDADRP C[C@H]1CN(CCC[NH3+])[C@@H](c2ccccc2)CO1 ZINC000414695607 386196666 /nfs/dbraw/zinc/19/66/66/386196666.db2.gz GTDRIKHZMWGALG-GXTWGEPZSA-N 2 0 234.343 1.797 20 0 BDADRP C[C@H]1CN(CCC[NH3+])[C@H](c2ccccc2)CO1 ZINC000414695609 386196842 /nfs/dbraw/zinc/19/68/42/386196842.db2.gz GTDRIKHZMWGALG-JSGCOSHPSA-N 2 0 234.343 1.797 20 0 BDADRP COC1(CC[N@@H+]2CC[C@@H](C[NH+](C)C)C2)CCC1 ZINC000338998425 386198367 /nfs/dbraw/zinc/19/83/67/386198367.db2.gz TYACODFWRXBHCN-ZDUSSCGKSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@@H]1CC[N@H+](C)CCN1CC[NH2+]C(C)(C)C ZINC000414696872 386199190 /nfs/dbraw/zinc/19/91/90/386199190.db2.gz QPOIWGSYNLEKBI-GFCCVEGCSA-N 2 0 227.396 1.401 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@](C)(C[NH3+])C2)CC[NH2+]1 ZINC000414729352 386281867 /nfs/dbraw/zinc/28/18/67/386281867.db2.gz DXVZOFREDYAVAZ-AGIUHOORSA-N 3 0 225.380 1.045 20 0 BDADRP [NH3+]CCCN(Cc1ccccc1)CC1(C[NH3+])CC1 ZINC000414730479 386283984 /nfs/dbraw/zinc/28/39/84/386283984.db2.gz GMDWKRHUUJGGFU-UHFFFAOYSA-N 2 0 247.386 1.576 20 0 BDADRP C([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)[C@@H]1CC[NH2+]C1 ZINC000414900974 386290218 /nfs/dbraw/zinc/29/02/18/386290218.db2.gz FOUJEODIFJIARY-XQHKEYJVSA-N 2 0 236.359 1.143 20 0 BDADRP CC1(C)C[N@H+](C[C@H]2CC[NH2+]C2)C(C)(C)CO1 ZINC000647885926 386291905 /nfs/dbraw/zinc/29/19/05/386291905.db2.gz MQVJZFWCUUBHQM-NSHDSACASA-N 2 0 226.364 1.485 20 0 BDADRP c1cncc([C@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]C2)c1 ZINC000647988133 386292311 /nfs/dbraw/zinc/29/23/11/386292311.db2.gz SERWTXNALLLDCC-TZMCWYRMSA-N 2 0 231.343 1.828 20 0 BDADRP CC1(C)C[N@H+](C[C@@H]2CC[NH2+]C2)C(C)(C)CO1 ZINC000647885925 386292508 /nfs/dbraw/zinc/29/25/08/386292508.db2.gz MQVJZFWCUUBHQM-LLVKDONJSA-N 2 0 226.364 1.485 20 0 BDADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(C)(C)O)C1 ZINC000347297080 386300322 /nfs/dbraw/zinc/30/03/22/386300322.db2.gz GFFBBUPYGARZTA-ZDUSSCGKSA-N 2 0 242.407 1.811 20 0 BDADRP CC[N@@H+]1C[C@H](C)N(CC[NH2+]C(C)(C)C)C[C@@H]1C ZINC000414735256 386310271 /nfs/dbraw/zinc/31/02/71/386310271.db2.gz GRFNKPJVHUFEME-STQMWFEESA-N 2 0 241.423 1.789 20 0 BDADRP C[C@@H](O)CC[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000336674105 386310937 /nfs/dbraw/zinc/31/09/37/386310937.db2.gz LICCXRZADTWJOH-GFCCVEGCSA-N 2 0 228.380 1.421 20 0 BDADRP CC(C)C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000335260939 386318976 /nfs/dbraw/zinc/31/89/76/386318976.db2.gz XXCLQTUVRWPKQV-LBPRGKRZSA-N 2 0 226.364 1.330 20 0 BDADRP C[C@H]1C[N@H+](C)[C@@H](C)CN1CC[NH2+]C(C)(C)C ZINC000414739146 386321568 /nfs/dbraw/zinc/32/15/68/386321568.db2.gz JYBMTERMIWWGRV-RYUDHWBXSA-N 2 0 227.396 1.399 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[NH2+][C@H](CO)C(C)(C)C ZINC000414740865 386322001 /nfs/dbraw/zinc/32/20/01/386322001.db2.gz LTPVTFIAHSONKH-GHMZBOCLSA-N 2 0 216.369 1.356 20 0 BDADRP Fc1ccc2c(c1)CCN(C[C@@H]1CC[NH2+]C1)C2 ZINC000647988862 386322444 /nfs/dbraw/zinc/32/24/44/386322444.db2.gz ZZIOGDNUCLZQDY-LLVKDONJSA-N 2 0 234.318 1.793 20 0 BDADRP C[C@H]1CN(CCCC2CC[NH2+]CC2)[C@@H](C)C[NH2+]1 ZINC000647987572 386276275 /nfs/dbraw/zinc/27/62/75/386276275.db2.gz DMZVFFKTKQWHJH-STQMWFEESA-N 2 0 239.407 1.448 20 0 BDADRP C([C@@H]1CC[NH2+]C1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000647987591 386276499 /nfs/dbraw/zinc/27/64/99/386276499.db2.gz HBEXEKYPAURHGV-HZSPNIEDSA-N 2 0 237.391 1.202 20 0 BDADRP CO[C@@H](C)C[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000336682273 386341204 /nfs/dbraw/zinc/34/12/04/386341204.db2.gz JIZAJPNDZDJXSE-RYUDHWBXSA-N 2 0 214.353 1.437 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCNC(C)(C)C2)CC[NH2+]1 ZINC000335270734 386355602 /nfs/dbraw/zinc/35/56/02/386355602.db2.gz RSSOVJCAQMEFSO-NEPJUHHUSA-N 2 0 225.380 1.058 20 0 BDADRP C[NH+](C)CCN(C(=O)CCC[NH3+])c1ccccc1 ZINC000237113306 386358480 /nfs/dbraw/zinc/35/84/80/386358480.db2.gz HRCGKQJYJKLGNR-UHFFFAOYSA-N 2 0 249.358 1.320 20 0 BDADRP CO[C@H](C)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000336692034 386361947 /nfs/dbraw/zinc/36/19/47/386361947.db2.gz MXZYOPIQUBNZFW-GFCCVEGCSA-N 2 0 214.353 1.439 20 0 BDADRP C[NH+](C)C1CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC000347377563 386373251 /nfs/dbraw/zinc/37/32/51/386373251.db2.gz DARINCGXIXLGEQ-CQSZACIVSA-N 2 0 240.391 1.972 20 0 BDADRP CC[N@H+](CCC[NH+]1CCCCC1)CCOC ZINC000347383993 386376927 /nfs/dbraw/zinc/37/69/27/386376927.db2.gz VYIFNDJUNPISDX-UHFFFAOYSA-N 2 0 228.380 1.831 20 0 BDADRP CC[C@@H]1CN(C[C@@H]([NH3+])CC(C)C)C[C@H]1O ZINC000414752400 386381402 /nfs/dbraw/zinc/38/14/02/386381402.db2.gz BVJYPYZBPDSHMK-GRYCIOLGSA-N 2 0 214.353 1.063 20 0 BDADRP CO[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC000336698618 386384368 /nfs/dbraw/zinc/38/43/68/386384368.db2.gz WVSBZASHWCNEOI-HZSPNIEDSA-N 2 0 240.391 1.970 20 0 BDADRP C[C@H](CC[NH3+])N[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000414903427 386333265 /nfs/dbraw/zinc/33/32/65/386333265.db2.gz ZQGIIGPZZGQBLB-FRRDWIJNSA-N 2 0 227.396 1.624 20 0 BDADRP C[NH+](C)CC[C@H](NC(=O)CCC[NH3+])C(C)(C)C ZINC000236986074 386334286 /nfs/dbraw/zinc/33/42/86/386334286.db2.gz HLJSOTYXDUZNDC-NSHDSACASA-N 2 0 243.395 1.208 20 0 BDADRP Cc1cc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)no1 ZINC000335275495 386335735 /nfs/dbraw/zinc/33/57/35/386335735.db2.gz BGGRZNQXYQXGIC-NSHDSACASA-N 2 0 249.358 1.947 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCc3cccnc3)C[C@@H]21 ZINC000230045787 386337213 /nfs/dbraw/zinc/33/72/13/386337213.db2.gz ZEBXEIIFILXLPY-QLFBSQMISA-N 2 0 245.370 1.683 20 0 BDADRP C[C@H]1CC2(C[N@@H+]1Cc1cncn1C)CC[NH2+]CC2 ZINC000335276485 386339081 /nfs/dbraw/zinc/33/90/81/386339081.db2.gz DWFLPMSEEDQMAC-LBPRGKRZSA-N 2 0 248.374 1.384 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000414766897 386437854 /nfs/dbraw/zinc/43/78/54/386437854.db2.gz IRMYMDFNGMVHQS-AGIUHOORSA-N 2 0 227.396 1.419 20 0 BDADRP CN(Cc1cnn(C(C)(C)C)c1)C1CC([NH3+])C1 ZINC000414767050 386439051 /nfs/dbraw/zinc/43/90/51/386439051.db2.gz FNIRQOQUBUERLQ-UHFFFAOYSA-N 2 0 236.363 1.560 20 0 BDADRP CO[C@H](C)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000336754445 386439265 /nfs/dbraw/zinc/43/92/65/386439265.db2.gz HIBQMXHUHBQYMI-QJPTWQEYSA-N 2 0 214.353 1.484 20 0 BDADRP C[C@@H](CCC1CC1)[NH2+]C[C@@H](O)CN(C)C ZINC000336754240 386444358 /nfs/dbraw/zinc/44/43/58/386444358.db2.gz ICVAWAFHJBCLHQ-CMPLNLGQSA-N 2 0 214.353 1.077 20 0 BDADRP c1coc([C@H](CN[C@H]2CC[NH2+]C2)[NH+]2CCCC2)c1 ZINC000094074812 386445195 /nfs/dbraw/zinc/44/51/95/386445195.db2.gz XAGDAYHERYNIIG-STQMWFEESA-N 2 0 249.358 1.368 20 0 BDADRP COC[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000336719032 386448450 /nfs/dbraw/zinc/44/84/50/386448450.db2.gz RMLZVAQEVXRVLG-GXTWGEPZSA-N 2 0 240.391 1.685 20 0 BDADRP CC(C)C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000647992258 386449790 /nfs/dbraw/zinc/44/97/90/386449790.db2.gz YDSSBHHKPOZCPP-MCIONIFRSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)[C@H](CN)C1 ZINC000414769731 386449942 /nfs/dbraw/zinc/44/99/42/386449942.db2.gz NPSDXMMPJOFEPH-RQJABVFESA-N 2 0 239.407 1.434 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCN(C)[C@@H](C)[C@@H]2C)CC[NH2+]1 ZINC000414757456 386403036 /nfs/dbraw/zinc/40/30/36/386403036.db2.gz LDUXQYWMKZZYJT-ZOBORPQBSA-N 2 0 239.407 1.399 20 0 BDADRP CCOC(=O)c1ccc(C[NH2+]CCCC[NH3+])o1 ZINC000414909505 386410567 /nfs/dbraw/zinc/41/05/67/386410567.db2.gz RJVPALACZZEITH-UHFFFAOYSA-N 2 0 240.303 1.285 20 0 BDADRP Cc1ccc(CCC[N@@H+]2CC[C@H](C[NH3+])C2)cn1 ZINC000339409599 386415368 /nfs/dbraw/zinc/41/53/68/386415368.db2.gz HNPALYLRAXKCSY-CQSZACIVSA-N 2 0 233.359 1.603 20 0 BDADRP Cc1ccc(CCC[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cn1 ZINC000339408683 386415560 /nfs/dbraw/zinc/41/55/60/386415560.db2.gz URZQKDOIPLBCKI-ZFWWWQNUSA-N 2 0 247.386 1.992 20 0 BDADRP Cc1ccc(CCC[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cn1 ZINC000339408678 386415631 /nfs/dbraw/zinc/41/56/31/386415631.db2.gz URZQKDOIPLBCKI-HIFRSBDPSA-N 2 0 247.386 1.992 20 0 BDADRP Cc1n[nH]cc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000093452642 386416511 /nfs/dbraw/zinc/41/65/11/386416511.db2.gz RCSUEFLKIXFBTP-MELADBBJSA-N 2 0 248.374 1.728 20 0 BDADRP CCCC[C@@H](COC)[NH2+]CCCC[NH3+] ZINC000414909428 386416615 /nfs/dbraw/zinc/41/66/15/386416615.db2.gz REHVWQIOQDHOAV-NSHDSACASA-N 2 0 202.342 1.520 20 0 BDADRP CCOC(=O)[C@]1(C(C)C)CC[N@H+](CCC[NH3+])C1 ZINC000414763274 386427042 /nfs/dbraw/zinc/42/70/42/386427042.db2.gz XGYBDTOOOCGDBI-CYBMUJFWSA-N 2 0 242.363 1.246 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000414763889 386430447 /nfs/dbraw/zinc/43/04/47/386430447.db2.gz YFDMNYPEOYENBS-HZSPNIEDSA-N 2 0 239.407 1.386 20 0 BDADRP C[C@H](CCCO)[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353528145 386469635 /nfs/dbraw/zinc/46/96/35/386469635.db2.gz NKWPJCSRBQYUNP-SYQHCUMBSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@H]([NH2+][C@@H]1CO[C@H](C)C1)c1cnccc1N ZINC000519538463 386480838 /nfs/dbraw/zinc/48/08/38/386480838.db2.gz DLLCHVYVKIIFHK-UTLUCORTSA-N 2 0 221.304 1.322 20 0 BDADRP CC[C@H]1CN(CCC[NH+](CC)CC)CC[C@H]1[NH3+] ZINC000647934964 386483464 /nfs/dbraw/zinc/48/34/64/386483464.db2.gz VSCYTGCFELANLY-UONOGXRCSA-N 2 0 241.423 1.778 20 0 BDADRP [NH3+]CC1(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000414777513 386485247 /nfs/dbraw/zinc/48/52/47/386485247.db2.gz XXKRGKAGFWAGTQ-CYBMUJFWSA-N 2 0 237.391 1.047 20 0 BDADRP C([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@@H]1CCSC1 ZINC000415013698 386494786 /nfs/dbraw/zinc/49/47/86/386494786.db2.gz VGTRUFLWTAIEHO-WCFLWFBJSA-N 2 0 240.416 1.717 20 0 BDADRP COc1cc(C)nc(CN[C@H](C)[C@@H](C)[NH3+])c1 ZINC000415016764 386503156 /nfs/dbraw/zinc/50/31/56/386503156.db2.gz OSWXSCMHFFPWLB-NXEZZACHSA-N 2 0 223.320 1.224 20 0 BDADRP C[C@H](CCC1CC1)[NH2+]CCCN1CC[NH2+]CC1 ZINC000414782122 386504661 /nfs/dbraw/zinc/50/46/61/386504661.db2.gz OLUCKAAIKKKQDB-CYBMUJFWSA-N 2 0 239.407 1.450 20 0 BDADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cccc3c2OCO3)C1 ZINC000415051693 386508758 /nfs/dbraw/zinc/50/87/58/386508758.db2.gz ZNRMLDLBXCBBFJ-JQWIXIFHSA-N 2 0 248.326 1.632 20 0 BDADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cc[nH]n2)CC1 ZINC000415020020 386509366 /nfs/dbraw/zinc/50/93/66/386509366.db2.gz FVULCWKFGLFVCQ-XYPYZODXSA-N 2 0 222.336 1.264 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN[C@H](C[NH3+])C(C)(C)C ZINC000415052093 386509412 /nfs/dbraw/zinc/50/94/12/386509412.db2.gz HIUPZISPXWXUTH-GHMZBOCLSA-N 2 0 215.385 1.323 20 0 BDADRP CCc1nc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cs1 ZINC000415044468 386529996 /nfs/dbraw/zinc/52/99/96/386529996.db2.gz SRPABBULEBVJLW-NXEZZACHSA-N 2 0 239.388 1.923 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)[C@@H](C)C1 ZINC000415029180 386516024 /nfs/dbraw/zinc/51/60/24/386516024.db2.gz DMGFGSBGALVZHW-FQUUOJAGSA-N 3 0 239.407 1.434 20 0 BDADRP Cc1ccc(O)c(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)n1 ZINC000415028049 386516633 /nfs/dbraw/zinc/51/66/33/386516633.db2.gz BYBSCXHWPJXKLS-WDEREUQCSA-N 2 0 235.331 1.313 20 0 BDADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cccc(O)c2)C1 ZINC000415034634 386521527 /nfs/dbraw/zinc/52/15/27/386521527.db2.gz KCCNDHSATRXPGE-CMPLNLGQSA-N 2 0 220.316 1.609 20 0 BDADRP CCn1cc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])cn1 ZINC000414786406 386525771 /nfs/dbraw/zinc/52/57/71/386525771.db2.gz BBEWUVXZWDZDSO-RYUDHWBXSA-N 2 0 222.336 1.120 20 0 BDADRP C[C@]1(CN2CC[N@@H+]3CCCC[C@@H]3C2)CC[NH2+]C1 ZINC000094440689 386453998 /nfs/dbraw/zinc/45/39/98/386453998.db2.gz WVLSQKIHKONWAE-KGLIPLIRSA-N 2 0 237.391 1.156 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)CC[NH2+]1 ZINC000414770136 386456827 /nfs/dbraw/zinc/45/68/27/386456827.db2.gz XTROPQCYCOZFIP-MGPQQGTHSA-N 3 0 237.391 1.060 20 0 BDADRP CO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000415082375 386598259 /nfs/dbraw/zinc/59/82/59/386598259.db2.gz OGBYMPZNOKXDQX-JHJVBQTASA-N 2 0 226.364 1.676 20 0 BDADRP C(C[C@@H]1CCOC1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415076239 386580827 /nfs/dbraw/zinc/58/08/27/386580827.db2.gz RWHFNQODAPUKNF-NEPJUHHUSA-N 2 0 212.337 1.145 20 0 BDADRP C[C@@]1(C[NH2+]CCc2cccs2)CC[NH2+]C1 ZINC000415078147 386586361 /nfs/dbraw/zinc/58/63/61/386586361.db2.gz FPXZKRFHHPYECM-LBPRGKRZSA-N 2 0 224.373 1.880 20 0 BDADRP CC[C@H]([NH2+][C@H]1CCC[NH2+]CC1)[C@H]1CCCO1 ZINC000415080941 386590664 /nfs/dbraw/zinc/59/06/64/386590664.db2.gz MLZIIOJBDGXAON-RWMBFGLXSA-N 2 0 226.364 1.676 20 0 BDADRP CC(C)[C@H]([NH3+])CNCc1cccc2c[nH]nc21 ZINC000414802281 386593238 /nfs/dbraw/zinc/59/32/38/386593238.db2.gz VKVLAEILFXKVRB-GFCCVEGCSA-N 2 0 232.331 1.636 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)C1CCC1 ZINC000415045231 386531971 /nfs/dbraw/zinc/53/19/71/386531971.db2.gz TVBMMNIKWXGACI-ZYHUDNBSSA-N 2 0 212.337 1.143 20 0 BDADRP COc1ccsc1C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415048651 386534072 /nfs/dbraw/zinc/53/40/72/386534072.db2.gz XAHVDVIIIUGPSP-UWVGGRQHSA-N 2 0 240.372 1.974 20 0 BDADRP Cc1cccc(C[N@H+](C)C[C@H](O)C[NH3+])c1C ZINC000415047494 386535073 /nfs/dbraw/zinc/53/50/73/386535073.db2.gz ARFTUJBHLVOBBI-CYBMUJFWSA-N 2 0 222.332 1.055 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000442711729 386535492 /nfs/dbraw/zinc/53/54/92/386535492.db2.gz FLIDJNQCEJQNAH-JQWIXIFHSA-N 2 0 241.379 1.090 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)[C@H]1CCCO1 ZINC000415084454 386596729 /nfs/dbraw/zinc/59/67/29/386596729.db2.gz RHWVHLPPMKYCTR-RWMBFGLXSA-N 2 0 226.364 1.533 20 0 BDADRP COCCC(C)(C)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400464802 533177151 /nfs/dbraw/zinc/17/71/51/533177151.db2.gz SOWLHAAOAFMIIO-VXGBXAGGSA-N 2 0 228.380 1.779 20 0 BDADRP CC(C)(C)[C@H](C[NH3+])NCc1cncc(F)c1 ZINC000415058685 386541224 /nfs/dbraw/zinc/54/12/24/386541224.db2.gz WIWCUNHYPRWBBU-NSHDSACASA-N 2 0 225.311 1.684 20 0 BDADRP [NH3+]C[C@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000519711321 386541926 /nfs/dbraw/zinc/54/19/26/386541926.db2.gz OJTFAOGBIZWHSX-QWHCGFSZSA-N 3 0 225.380 1.047 20 0 BDADRP C[N@@H+](Cc1cnccn1)CC1CC[NH+](C)CC1 ZINC000519739986 386542025 /nfs/dbraw/zinc/54/20/25/386542025.db2.gz AMSHCHAOEWYLKT-UHFFFAOYSA-N 2 0 234.347 1.250 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)NCCC[NH2+]C1CC1 ZINC000415065962 386548547 /nfs/dbraw/zinc/54/85/47/386548547.db2.gz IBRQMOHUHYVVSI-DGCLKSJQSA-N 2 0 225.380 1.249 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@@H](C[NH3+])C1CCCC1 ZINC000415065870 386549349 /nfs/dbraw/zinc/54/93/49/386549349.db2.gz NTNLLVSINSDQEE-STQMWFEESA-N 2 0 227.396 1.467 20 0 BDADRP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H](C)c1ccccc1 ZINC000415069860 386552567 /nfs/dbraw/zinc/55/25/67/386552567.db2.gz XQRYLJLGGCXITH-YXRJLALLSA-N 2 0 230.355 1.986 20 0 BDADRP COC[C@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063197325 386554251 /nfs/dbraw/zinc/55/42/51/386554251.db2.gz JQGDBFJQYQCHAS-AAEUAGOBSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H](CC[N@H+](C)C[C@H](O)C[NH3+])c1ccccc1 ZINC000415072571 386563494 /nfs/dbraw/zinc/56/34/94/386563494.db2.gz WUSWUYDDFLREDZ-TZMCWYRMSA-N 2 0 236.359 1.432 20 0 BDADRP CC[N@@H+]1CCCC[C@H]1CNCC(C)(C)[NH3+] ZINC000415075423 386568531 /nfs/dbraw/zinc/56/85/31/386568531.db2.gz FGZHTTJDSLZFKJ-NSHDSACASA-N 2 0 213.369 1.188 20 0 BDADRP CC[C@@H]([NH2+]C1CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000415075834 386570007 /nfs/dbraw/zinc/57/00/07/386570007.db2.gz FQMOBQFZUBXMLT-NEPJUHHUSA-N 2 0 212.337 1.286 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCCC[C@H]2CC[NH3+])CC[NH2+]1 ZINC000414794990 386570789 /nfs/dbraw/zinc/57/07/89/386570789.db2.gz UMRXENSFHNMGSD-RDBSUJKOSA-N 3 0 239.407 1.578 20 0 BDADRP CC[C@@H]([NH2+]CC1CC[NH2+]CC1)[C@H]1CCCO1 ZINC000415074014 386572598 /nfs/dbraw/zinc/57/25/98/386572598.db2.gz BSICYUXLKATEKH-CHWSQXEVSA-N 2 0 226.364 1.533 20 0 BDADRP c1ccc2c(c1)CC[C@H]([NH2+]C[C@@H]1CC[NH2+]C1)CO2 ZINC000335496848 386620825 /nfs/dbraw/zinc/62/08/25/386620825.db2.gz QGBFXDBGARQMLW-OCCSQVGLSA-N 2 0 246.354 1.579 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)C1CCOCC1 ZINC000335497931 386622558 /nfs/dbraw/zinc/62/25/58/386622558.db2.gz AZYAWOANITWPRQ-WCQYABFASA-N 2 0 226.364 1.533 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[NH2+][C@H]1CCCOCC1 ZINC000415103576 386624913 /nfs/dbraw/zinc/62/49/13/386624913.db2.gz KPGPKGPJLIAUQK-NEPJUHHUSA-N 2 0 214.353 1.519 20 0 BDADRP Cc1nn(C)cc1[C@H](C)NC[C@@H]([NH3+])CC(C)C ZINC000415106159 386626674 /nfs/dbraw/zinc/62/66/74/386626674.db2.gz MRXLRLYRGNZNOV-JQWIXIFHSA-N 2 0 238.379 1.753 20 0 BDADRP CC(C)C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000415127434 386632328 /nfs/dbraw/zinc/63/23/28/386632328.db2.gz NAUPOZKABYZISH-LBPRGKRZSA-N 2 0 237.351 1.030 20 0 BDADRP COCC(C)(C)C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415132760 386640741 /nfs/dbraw/zinc/64/07/41/386640741.db2.gz ULGPPXCKXJKGKV-NWDGAFQWSA-N 2 0 228.380 1.576 20 0 BDADRP c1ccc2c(c1)CC([NH2+]C[C@@H]1CCC[NH2+]C1)C2 ZINC000232459025 386644022 /nfs/dbraw/zinc/64/40/22/386644022.db2.gz NLLDTAGKGRNRBX-GFCCVEGCSA-N 2 0 230.355 1.743 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C[NH2+]CC2(C[NH3+])CC2)cc1 ZINC000414817224 386652676 /nfs/dbraw/zinc/65/26/76/386652676.db2.gz RSLBBVJRJUQBQS-LLVKDONJSA-N 3 0 233.359 1.535 20 0 BDADRP CC(C)([NH3+])C[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000414803189 386599619 /nfs/dbraw/zinc/59/96/19/386599619.db2.gz LWQKORJKIDBPLT-UHFFFAOYSA-N 2 0 248.370 1.881 20 0 BDADRP Cc1cccnc1C[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415086606 386604788 /nfs/dbraw/zinc/60/47/88/386604788.db2.gz UXGGQCLPNILZOF-STQMWFEESA-N 2 0 233.359 1.868 20 0 BDADRP COCC[C@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000336757568 386606776 /nfs/dbraw/zinc/60/67/76/386606776.db2.gz HVZBCXBMOWGECP-HIFPTAJRSA-N 2 0 228.380 1.874 20 0 BDADRP CCC([NH3+])(CC)CNC[C@@H]1CCC[NH2+]C1 ZINC000414804492 386610234 /nfs/dbraw/zinc/61/02/34/386610234.db2.gz FIVVITOSEJQFLA-LLVKDONJSA-N 2 0 213.369 1.093 20 0 BDADRP Cc1ccncc1CCC[N@@H+]1CC[C@@H](CO)C1 ZINC000278976111 386614852 /nfs/dbraw/zinc/61/48/52/386614852.db2.gz OZGAFGDVTZDWFX-CYBMUJFWSA-N 2 0 234.343 1.637 20 0 BDADRP C[C@]1(C[NH2+][C@@H](CO)Cc2ccccc2)CC[NH2+]C1 ZINC000415108291 386615769 /nfs/dbraw/zinc/61/57/69/386615769.db2.gz PVHFXQZDRMVRTI-CABCVRRESA-N 2 0 248.370 1.179 20 0 BDADRP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C)C[NH+](C)C ZINC000425928827 386669205 /nfs/dbraw/zinc/66/92/05/386669205.db2.gz WESTWERXZXOYMY-HZSPNIEDSA-N 2 0 242.407 1.979 20 0 BDADRP C[N@H+](CCCCCO)Cc1cccc2nccn21 ZINC000279407962 386677531 /nfs/dbraw/zinc/67/75/31/386677531.db2.gz LUHZCNSLHUMYHQ-UHFFFAOYSA-N 2 0 247.342 1.929 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000414830847 386711401 /nfs/dbraw/zinc/71/14/01/386711401.db2.gz CMMQJBZXWRIVJE-RHYQMDGZSA-N 2 0 226.364 1.245 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C)C(C)C ZINC000352834692 386683953 /nfs/dbraw/zinc/68/39/53/386683953.db2.gz VWOZRISCUUQXPL-IACUBPJLSA-N 2 0 240.391 1.730 20 0 BDADRP C[NH+](C)CC1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000042388489 386690390 /nfs/dbraw/zinc/69/03/90/386690390.db2.gz ZJCXOXIJLWHHNT-UHFFFAOYSA-N 3 0 239.407 1.260 20 0 BDADRP C[C@]1(CNC[C@@H]([NH3+])c2ccccc2)CC[NH2+]C1 ZINC000414825772 386691622 /nfs/dbraw/zinc/69/16/22/386691622.db2.gz DBSGONJSFWGFBE-KGLIPLIRSA-N 2 0 233.359 1.276 20 0 BDADRP Cc1ccc(O)c(C[NH2+]CC[C@H]2CCC[NH2+]C2)n1 ZINC000414827413 386694365 /nfs/dbraw/zinc/69/43/65/386694365.db2.gz BQEMZTYOYPLIMD-GFCCVEGCSA-N 2 0 249.358 1.575 20 0 BDADRP COCC(C)(C)C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414827509 386694482 /nfs/dbraw/zinc/69/44/82/386694482.db2.gz HDCKVNDVCCEIBQ-NSHDSACASA-N 2 0 214.353 1.248 20 0 BDADRP C(C[C@@H]1CC[NH2+]C1)[NH2+]C[C@H]1CCCOC1 ZINC000414827478 386694725 /nfs/dbraw/zinc/69/47/25/386694725.db2.gz HASSHCPUDJEQDH-NWDGAFQWSA-N 2 0 212.337 1.002 20 0 BDADRP Cc1ccncc1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414827774 386695131 /nfs/dbraw/zinc/69/51/31/386695131.db2.gz YJIXYCOIBREHLK-QWHCGFSZSA-N 2 0 233.359 1.868 20 0 BDADRP COC[C@@H](CC(C)C)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414827758 386695459 /nfs/dbraw/zinc/69/54/59/386695459.db2.gz HRLWLIHSRPJKQG-QWHCGFSZSA-N 2 0 228.380 1.637 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+]C[C@H](N)c2ccccc2)CC[NH2+]1 ZINC000414828575 386698716 /nfs/dbraw/zinc/69/87/16/386698716.db2.gz IXQXZGYONCHNRR-NFAWXSAZSA-N 2 0 247.386 1.664 20 0 BDADRP CCOC(=O)CCCC[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000520604815 386705363 /nfs/dbraw/zinc/70/53/63/386705363.db2.gz YVXCUWWQPXFQCO-NEPJUHHUSA-N 2 0 242.363 1.531 20 0 BDADRP CCCn1cc(CNC[C@@H]2CCC[NH2+]C2)cn1 ZINC000414830531 386707797 /nfs/dbraw/zinc/70/77/97/386707797.db2.gz OPISTGYMGPDZLZ-GFCCVEGCSA-N 2 0 236.363 1.382 20 0 BDADRP CC[NH+]1CCC(CC[NH2+]Cc2cn[nH]c2)CC1 ZINC000608062004 386735348 /nfs/dbraw/zinc/73/53/48/386735348.db2.gz OWCMGCGRXUBKFS-UHFFFAOYSA-N 2 0 236.363 1.621 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+]C[C@@H](C)C[NH2+]C)CCO1 ZINC000414838692 386738220 /nfs/dbraw/zinc/73/82/20/386738220.db2.gz LKTKBEOUWTZZEJ-YNEHKIRRSA-N 2 0 228.380 1.637 20 0 BDADRP CC[C@H](COC)[NH2+]CC1([NH3+])CCCCC1 ZINC000414833818 386713465 /nfs/dbraw/zinc/71/34/65/386713465.db2.gz AYGRHXXMDTXMPF-LLVKDONJSA-N 2 0 214.353 1.663 20 0 BDADRP CC[C@@H](C)[C@@H]1CCCC[N@@H+]1CCOCC[NH3+] ZINC000357089300 386714755 /nfs/dbraw/zinc/71/47/55/386714755.db2.gz PKPPPFDZIXZXAC-OLZOCXBDSA-N 2 0 228.380 1.862 20 0 BDADRP Cc1ccc(CCCN2C[C@@H](C)[C@@H]([NH3+])C2)cn1 ZINC000340690325 386715241 /nfs/dbraw/zinc/71/52/41/386715241.db2.gz KZVFFXKSFQVWME-RISCZKNCSA-N 2 0 233.359 1.602 20 0 BDADRP CCS[C@@H]1CC[C@@H]([N@H+](C)CCOCC[NH3+])C1 ZINC000357090229 386715736 /nfs/dbraw/zinc/71/57/36/386715736.db2.gz ZZFYZHLQKHADOA-VXGBXAGGSA-N 2 0 246.420 1.568 20 0 BDADRP CC(C)n1cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cn1 ZINC000414832288 386717674 /nfs/dbraw/zinc/71/76/74/386717674.db2.gz OJHGUNSYHSEYTE-LBPRGKRZSA-N 2 0 236.363 1.553 20 0 BDADRP CCCC[C@H](COC)[NH2+]C[C@H](C)C[NH2+]C ZINC000414834808 386723314 /nfs/dbraw/zinc/72/33/14/386723314.db2.gz HVBJARHQSPBCQW-VXGBXAGGSA-N 2 0 216.369 1.637 20 0 BDADRP N[C@@H](C[NH2+]CC1CC[NH2+]CC1)c1ccccc1 ZINC000414835253 386728380 /nfs/dbraw/zinc/72/83/80/386728380.db2.gz RINFDPXQUPKQPZ-AWEZNQCLSA-N 2 0 233.359 1.276 20 0 BDADRP [NH3+]C[C@@H](NC[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000414839622 386745883 /nfs/dbraw/zinc/74/58/83/386745883.db2.gz LQEWAICKOQSVLX-TZMCWYRMSA-N 2 0 239.407 1.483 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414842023 386747845 /nfs/dbraw/zinc/74/78/45/386747845.db2.gz OQZUQHCYKAKIJP-OLZOCXBDSA-N 2 0 236.363 1.251 20 0 BDADRP CN(CCC[NH+]1CCCC1)C[C@@]1(C)CC[NH2+]C1 ZINC000340712734 386761290 /nfs/dbraw/zinc/76/12/90/386761290.db2.gz MZAZBOQNXMIRCR-AWEZNQCLSA-N 2 0 239.407 1.404 20 0 BDADRP COC[C@@H](CC(C)C)[NH2+][C@H](C)CC[NH+](C)C ZINC000336761490 386764510 /nfs/dbraw/zinc/76/45/10/386764510.db2.gz KOIJBXYJAKRQJE-CHWSQXEVSA-N 2 0 230.396 1.977 20 0 BDADRP COC[C@@H](CC(C)C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000336761492 386766485 /nfs/dbraw/zinc/76/64/85/386766485.db2.gz KOIJBXYJAKRQJE-QWHCGFSZSA-N 2 0 230.396 1.977 20 0 BDADRP C[C@H]1COCC[C@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000192129242 386743381 /nfs/dbraw/zinc/74/33/81/386743381.db2.gz PIUIYZIGMLEROC-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP CC(C)[N@@H+](C)C[C@@H](C)N[C@H]1C[NH+](C)C[C@@H]1C ZINC000336668534 386791856 /nfs/dbraw/zinc/79/18/56/386791856.db2.gz MNWRYBNTBXWADJ-XQQFMLRXSA-N 2 0 227.396 1.255 20 0 BDADRP Cc1c(C[NH2+]CC[C@H]2CCC[NH2+]C2)cnn1C ZINC000414844092 386773297 /nfs/dbraw/zinc/77/32/97/386773297.db2.gz RAHCQHNBHMMEAS-GFCCVEGCSA-N 2 0 236.363 1.208 20 0 BDADRP C[C@H]1C[C@@H]1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648071953 386786143 /nfs/dbraw/zinc/78/61/43/386786143.db2.gz CJGSOVHGEHHHSS-QWHCGFSZSA-N 2 0 238.375 1.439 20 0 BDADRP C[N@H+](Cc1cccc2c[nH]nc21)C1CC[NH2+]CC1 ZINC000335713364 386843673 /nfs/dbraw/zinc/84/36/73/386843673.db2.gz NPRUHTCIYVGHIB-UHFFFAOYSA-N 2 0 244.342 1.747 20 0 BDADRP CC[C@@H](C)[C@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000336675543 386852212 /nfs/dbraw/zinc/85/22/12/386852212.db2.gz BLGWDHVWHRUMKX-NEPJUHHUSA-N 2 0 228.380 1.467 20 0 BDADRP CC(C)[C@H](O)C1(C[NH2+][C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000331562377 386869807 /nfs/dbraw/zinc/86/98/07/386869807.db2.gz XJCVZIHIBJAPBU-UTUOFQBUSA-N 2 0 226.364 1.253 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000331645884 386878531 /nfs/dbraw/zinc/87/85/31/386878531.db2.gz UQAYDIWPYCUSDR-FBUXBERBSA-N 2 0 245.370 1.848 20 0 BDADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000331668021 386881016 /nfs/dbraw/zinc/88/10/16/386881016.db2.gz RHQDHYQKSSQBTN-MROQNXINSA-N 3 0 225.380 1.363 20 0 BDADRP CC1(C)CCC[NH2+][C@H]1C[NH2+][C@@H]1CCCOCC1 ZINC000334862263 386914672 /nfs/dbraw/zinc/91/46/72/386914672.db2.gz JQBCZZGPQATRII-OLZOCXBDSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000331874291 386918355 /nfs/dbraw/zinc/91/83/55/386918355.db2.gz BODSVYTZYIBVOW-WUHRBBMRSA-N 2 0 228.380 1.643 20 0 BDADRP C([C@H]1CCC[NH2+]C1)N1CCO[C@H](C2CCC2)C1 ZINC000334856477 386909346 /nfs/dbraw/zinc/90/93/46/386909346.db2.gz YPNFWGYVXKXAIH-JSGCOSHPSA-N 2 0 238.375 1.487 20 0 BDADRP CCC([NH3+])(CC)CN[C@H]1CC[NH2+]CC[C@H]1C ZINC000331910096 386923438 /nfs/dbraw/zinc/92/34/38/386923438.db2.gz FWPYGYCPFMVXHP-NEPJUHHUSA-N 2 0 227.396 1.482 20 0 BDADRP CC[C@H](O)C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000331956051 386930482 /nfs/dbraw/zinc/93/04/82/386930482.db2.gz JTRKXFCBQDCIAT-HBNTYKKESA-N 2 0 200.326 1.007 20 0 BDADRP CC1(C)CC[C@@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C1 ZINC000334873777 386934849 /nfs/dbraw/zinc/93/48/49/386934849.db2.gz JGXTUPOWYAWAMI-NEPJUHHUSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H](C[NH3+])N[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000332002854 386939131 /nfs/dbraw/zinc/93/91/31/386939131.db2.gz OUNVJDGSQYMXES-UTUOFQBUSA-N 2 0 213.369 1.234 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1NC[C@H]1CCC[NH2+]C1 ZINC000332265255 386968906 /nfs/dbraw/zinc/96/89/06/386968906.db2.gz CSMJFZMZXYFRQC-XQQFMLRXSA-N 2 0 225.380 1.236 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCC[C@H](CO)C1 ZINC000332377426 386973900 /nfs/dbraw/zinc/97/39/00/386973900.db2.gz XZKGPIAECNSWBD-FQUUOJAGSA-N 2 0 240.391 1.787 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000332583628 386993071 /nfs/dbraw/zinc/99/30/71/386993071.db2.gz KCWBFXZBLHOQJB-DRZSPHRISA-N 2 0 248.374 1.374 20 0 BDADRP C[C@H]1CC[NH2+][C@H](C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000334955595 387034010 /nfs/dbraw/zinc/03/40/10/387034010.db2.gz MCRFHUXTSVSVLQ-GWCFXTLKSA-N 2 0 247.342 1.472 20 0 BDADRP COc1ccc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000107933278 387038385 /nfs/dbraw/zinc/03/83/85/387038385.db2.gz WYPLPSQCHCNULW-DGCLKSJQSA-N 2 0 234.343 1.864 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000107980478 387039038 /nfs/dbraw/zinc/03/90/38/387039038.db2.gz BRSCWPUTIRHHJA-PWSUYJOCSA-N 2 0 222.307 1.995 20 0 BDADRP CC[C@H](O)C[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000336764470 387049477 /nfs/dbraw/zinc/04/94/77/387049477.db2.gz QAKLUXQLXGHQIE-SRVKXCTJSA-N 2 0 214.353 1.077 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000333830636 387058063 /nfs/dbraw/zinc/05/80/63/387058063.db2.gz MNAQASUQEGHWEO-AVGNSLFASA-N 3 0 225.380 1.093 20 0 BDADRP CC[C@H]1C[N@H+](CCC2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000359208388 387067591 /nfs/dbraw/zinc/06/75/91/387067591.db2.gz BSKZAIULNQJQPF-OCCSQVGLSA-N 2 0 240.391 1.875 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000333830640 387058214 /nfs/dbraw/zinc/05/82/14/387058214.db2.gz MNAQASUQEGHWEO-FRRDWIJNSA-N 3 0 225.380 1.093 20 0 BDADRP C[C@@H]([NH3+])CCC(=O)NCC[N@H+](C)C1CCCC1 ZINC000070318115 387064750 /nfs/dbraw/zinc/06/47/50/387064750.db2.gz YDTVLFJZZONXEZ-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)[C@@H]1CCCC[NH2+]1 ZINC000333241592 387022173 /nfs/dbraw/zinc/02/21/73/387022173.db2.gz DYVPCAXTRPDTFZ-YFKTTZPYSA-N 2 0 239.363 1.811 20 0 BDADRP Fc1ccc2c(c1)[C@H]([N@H+]1C[C@H]3C[NH2+]C[C@H]3C1)CC2 ZINC000359294111 387080521 /nfs/dbraw/zinc/08/05/21/387080521.db2.gz AYQVJTREQUWISS-TYNCELHUSA-N 2 0 246.329 1.964 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@H](C)c1ccc(F)cn1 ZINC000423299561 387130749 /nfs/dbraw/zinc/13/07/49/387130749.db2.gz BWLUQMDQUOIPMN-RKDXNWHRSA-N 2 0 211.284 1.466 20 0 BDADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2COC(C)(C)C2)C1 ZINC000418088557 387095639 /nfs/dbraw/zinc/09/56/39/387095639.db2.gz KKLMSMORRRGMAZ-STQMWFEESA-N 2 0 240.391 1.875 20 0 BDADRP c1c[nH]c(C[NH2+]CCc2cn3ccccc3n2)n1 ZINC000067698581 387097721 /nfs/dbraw/zinc/09/77/21/387097721.db2.gz APOQGCRTVVIRIN-UHFFFAOYSA-N 2 0 241.298 1.390 20 0 BDADRP COc1ccc2c(c1)[C@@H]([NH2+]CC1C[NH2+]C1)CC2 ZINC000423300032 387131274 /nfs/dbraw/zinc/13/12/74/387131274.db2.gz CWOKSTHCWVHGRS-AWEZNQCLSA-N 2 0 232.327 1.492 20 0 BDADRP CC1(F)CC([NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000335006700 387101578 /nfs/dbraw/zinc/10/15/78/387101578.db2.gz NGTLLHJHMOSWAQ-KPPDAEKUSA-N 2 0 200.301 1.609 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC1CC(C)(F)C1 ZINC000335008365 387103363 /nfs/dbraw/zinc/10/33/63/387103363.db2.gz SSOKFNVDAMOXTA-VKAADOFISA-N 2 0 200.301 1.465 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@@H]2CCSC2)CC1 ZINC000335024956 387115811 /nfs/dbraw/zinc/11/58/11/387115811.db2.gz QWZWPMRJMLMJKK-VQXHTEKXSA-N 2 0 214.378 1.599 20 0 BDADRP CCCC[C@@H](C[NH3+])N[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423299723 387129186 /nfs/dbraw/zinc/12/91/86/387129186.db2.gz QNUKOQQPPMUKEG-AGIUHOORSA-N 2 0 227.396 1.624 20 0 BDADRP COC[C@@H]([NH2+]C[C@@H](C)C[NH3+])C1CCCC1 ZINC000423301397 387132514 /nfs/dbraw/zinc/13/25/14/387132514.db2.gz FZHWYVDRBGPMNB-CMPLNLGQSA-N 2 0 214.353 1.376 20 0 BDADRP COC[C@H]([NH2+]C[C@@H](C)C[NH3+])C1CCCC1 ZINC000423301398 387132520 /nfs/dbraw/zinc/13/25/20/387132520.db2.gz FZHWYVDRBGPMNB-JQWIXIFHSA-N 2 0 214.353 1.376 20 0 BDADRP CCC[C@H]1CNCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000359214921 387068312 /nfs/dbraw/zinc/06/83/12/387068312.db2.gz HTQSQQADSQMXPE-AWEZNQCLSA-N 2 0 239.407 1.450 20 0 BDADRP CC(C)O[C@@H]1C[C@@H]([NH2+]CC2C[NH2+]C2)C1(C)C ZINC000423306163 387141518 /nfs/dbraw/zinc/14/15/18/387141518.db2.gz SFURGYDZYVDAGX-VXGBXAGGSA-N 2 0 226.364 1.388 20 0 BDADRP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]CC2C[NH2+]C2)C1 ZINC000423305826 387141647 /nfs/dbraw/zinc/14/16/47/387141647.db2.gz RSXPXLPZWQLXKU-NXEZZACHSA-N 2 0 236.281 1.917 20 0 BDADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423310952 387148946 /nfs/dbraw/zinc/14/89/46/387148946.db2.gz AZXLSPHWCFMOLL-XQQFMLRXSA-N 2 0 226.364 1.519 20 0 BDADRP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)C[NH3+] ZINC000423312474 387149846 /nfs/dbraw/zinc/14/98/46/387149846.db2.gz VFTQUVKBDAKCFH-GRYCIOLGSA-N 2 0 214.353 1.376 20 0 BDADRP CCC[NH2+]CCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423312612 387150884 /nfs/dbraw/zinc/15/08/84/387150884.db2.gz SCQMUXGCRVXXMB-NWDGAFQWSA-N 2 0 213.369 1.236 20 0 BDADRP CC[N@@H+](CCC(=O)OC)CC[C@H]1CCC[NH+]1C ZINC000120091814 387156391 /nfs/dbraw/zinc/15/63/91/387156391.db2.gz KQJAHPWWPDMDFN-GFCCVEGCSA-N 2 0 242.363 1.356 20 0 BDADRP CC1(C)[C@H]([NH2+]CC2([NH3+])CCC2)[C@@H]2CCCO[C@H]21 ZINC000423315951 387157122 /nfs/dbraw/zinc/15/71/22/387157122.db2.gz BHSHXVRINXLDOX-QJPTWQEYSA-N 2 0 238.375 1.661 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+]CC1([NH3+])CCC1 ZINC000423319416 387162631 /nfs/dbraw/zinc/16/26/31/387162631.db2.gz FFYDFZHUGRQJLY-RYUDHWBXSA-N 2 0 226.364 1.663 20 0 BDADRP C[C@]1(CN[C@@H]2CCC[C@@H]2C[NH3+])CCC[NH2+]C1 ZINC000423323220 387167698 /nfs/dbraw/zinc/16/76/98/387167698.db2.gz ADSCUGKTQLSWOY-UPJWGTAASA-N 2 0 225.380 1.093 20 0 BDADRP FCCC[C@H]1CCC[C@H]1[NH2+]CC1C[NH2+]C1 ZINC000423333943 387180046 /nfs/dbraw/zinc/18/00/46/387180046.db2.gz WKZIMHMATFUWDN-VXGBXAGGSA-N 2 0 214.328 1.714 20 0 BDADRP C[N@H+](CCC1CC[NH2+]CC1)[C@@H](CN)C1CC1 ZINC000359876337 387180945 /nfs/dbraw/zinc/18/09/45/387180945.db2.gz LGDWGLJRYLPYHG-ZDUSSCGKSA-N 2 0 225.380 1.045 20 0 BDADRP FCCC[C@@H]1CCC[C@H]1[NH2+]CC1C[NH2+]C1 ZINC000423333940 387181676 /nfs/dbraw/zinc/18/16/76/387181676.db2.gz WKZIMHMATFUWDN-NWDGAFQWSA-N 2 0 214.328 1.714 20 0 BDADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cnn(C)c1 ZINC000423335381 387182460 /nfs/dbraw/zinc/18/24/60/387182460.db2.gz RTIMOKDXAXCQCA-LLVKDONJSA-N 2 0 236.363 1.460 20 0 BDADRP CC[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)[C@@H]1CCOC1 ZINC000423335419 387183746 /nfs/dbraw/zinc/18/37/46/387183746.db2.gz RWJCTOPKCCMLLF-CHWSQXEVSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@@H]1C[C@H](NC[C@@]2(C)CCC[NH2+]C2)CC[N@@H+]1C ZINC000423335892 387183822 /nfs/dbraw/zinc/18/38/22/387183822.db2.gz SIAGTIOZCLHHGI-MCIONIFRSA-N 2 0 239.407 1.448 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423340983 387190256 /nfs/dbraw/zinc/19/02/56/387190256.db2.gz WELWUZDOTPUPBJ-WDEREUQCSA-N 2 0 214.353 1.389 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]CCC[C@@H](C)CO)CC1 ZINC000228832121 387133100 /nfs/dbraw/zinc/13/31/00/387133100.db2.gz WSZUKZMTPFPEEZ-CYBMUJFWSA-N 2 0 242.407 1.857 20 0 BDADRP CCc1cccnc1[C@H](C)[NH2+]C[C@H](C)C[NH3+] ZINC000423301776 387135606 /nfs/dbraw/zinc/13/56/06/387135606.db2.gz GKKNGCFFXQFZJH-MNOVXSKESA-N 2 0 221.348 1.889 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H]2C2CC2)CC[NH2+]1 ZINC000423374080 387192147 /nfs/dbraw/zinc/19/21/47/387192147.db2.gz HQFFHRKZUINGCO-JHEVNIALSA-N 2 0 208.349 1.905 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@H]1CCc2c1cccc2F ZINC000423303336 387137564 /nfs/dbraw/zinc/13/75/64/387137564.db2.gz WWPWIQGIIXTGJH-RNCFNFMXSA-N 2 0 222.307 1.997 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000423303992 387138232 /nfs/dbraw/zinc/13/82/32/387138232.db2.gz XXOXUGNWNFFJJH-TVQRCGJNSA-N 2 0 222.307 1.997 20 0 BDADRP CCOC[C@H]1CCC[C@@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000423356679 387207703 /nfs/dbraw/zinc/20/77/03/387207703.db2.gz RDJUYZOESFTFKX-KGLIPLIRSA-N 2 0 238.375 1.701 20 0 BDADRP CC[C@H](COC)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423366647 387218658 /nfs/dbraw/zinc/21/86/58/387218658.db2.gz BXKGBHYXRMRKMW-CQSZACIVSA-N 2 0 234.343 1.804 20 0 BDADRP C1CC([N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)C1 ZINC000371464174 387219245 /nfs/dbraw/zinc/21/92/45/387219245.db2.gz PHLILYKYWVXWME-IACUBPJLSA-N 2 0 220.360 1.955 20 0 BDADRP CCC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353517544 387220115 /nfs/dbraw/zinc/22/01/15/387220115.db2.gz JAKCPNNBROVPFG-DGAVXFQQSA-N 2 0 240.391 1.610 20 0 BDADRP CCC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353517549 387220704 /nfs/dbraw/zinc/22/07/04/387220704.db2.gz JAKCPNNBROVPFG-IGQOVBAYSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@H](CCO)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353517293 387221350 /nfs/dbraw/zinc/22/13/50/387221350.db2.gz JWOVRFWEGTWXDA-AAVRWANBSA-N 2 0 240.391 1.467 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423368580 387221487 /nfs/dbraw/zinc/22/14/87/387221487.db2.gz SBZATRJQROHLRZ-HBNTYKKESA-N 2 0 200.326 1.142 20 0 BDADRP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccnn1C ZINC000423427578 387253102 /nfs/dbraw/zinc/25/31/02/387253102.db2.gz FZGFKEDRCIJJFZ-KGYLQXTDSA-N 2 0 248.374 1.459 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CC(C)(C)C(C)(C)O ZINC000393644626 259707877 /nfs/dbraw/zinc/70/78/77/259707877.db2.gz FFEDAEOUDSGEIW-SNVBAGLBSA-N 2 0 216.369 1.501 20 0 BDADRP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000423372273 387227409 /nfs/dbraw/zinc/22/74/09/387227409.db2.gz HBHFMPAJESDZPA-ZMLRMANQSA-N 2 0 236.363 1.649 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1CCC[NH2+][C@@H]1C ZINC000423373283 387229498 /nfs/dbraw/zinc/22/94/98/387229498.db2.gz JCGRYNCUQGGILQ-OXHZDVMGSA-N 2 0 237.391 1.199 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1CCC[NH2+][C@H]1C ZINC000423373286 387230328 /nfs/dbraw/zinc/23/03/28/387230328.db2.gz JCGRYNCUQGGILQ-WVWOOGAGSA-N 2 0 237.391 1.199 20 0 BDADRP C[C@H](C[NH2+][C@H]1CCO[C@@H]1C)C[NH+]1CCCCC1 ZINC000120343915 387232595 /nfs/dbraw/zinc/23/25/95/387232595.db2.gz OHMKKILIKZWHLE-MCIONIFRSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423401349 387238041 /nfs/dbraw/zinc/23/80/41/387238041.db2.gz VZBKKRHULVVCCL-NMKXLXIOSA-N 2 0 237.391 1.329 20 0 BDADRP COCC1(C[NH2+][C@H](C)[C@@H]2C[C@@H]2C)CC[NH2+]CC1 ZINC000423413361 387245339 /nfs/dbraw/zinc/24/53/39/387245339.db2.gz YZRCIUDGBKBQTO-YNEHKIRRSA-N 2 0 240.391 1.637 20 0 BDADRP COC[C@]1(C[NH2+][C@H]2CCC2(C)C)CCC[NH2+]1 ZINC000423413644 387245376 /nfs/dbraw/zinc/24/53/76/387245376.db2.gz LFCGTHLNMJBABE-WCQYABFASA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]1CCNC[C@@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423416411 387247943 /nfs/dbraw/zinc/24/79/43/387247943.db2.gz CMTBAWWBWFIRAT-SYQHCUMBSA-N 2 0 239.407 1.339 20 0 BDADRP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCSCC1 ZINC000423428007 387252014 /nfs/dbraw/zinc/25/20/14/387252014.db2.gz IUSIMXOHTUFAJI-YJQGPUDQSA-N 2 0 226.389 1.326 20 0 BDADRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ccco1 ZINC000423346422 387195271 /nfs/dbraw/zinc/19/52/71/387195271.db2.gz PDPDLNCLLDHXNQ-JTQLQIEISA-N 2 0 206.289 1.850 20 0 BDADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)[C@H]1CCCC[NH2+]1 ZINC000423344809 387196127 /nfs/dbraw/zinc/19/61/27/387196127.db2.gz YEXPDZUUJSNTHL-CHWSQXEVSA-N 3 0 239.407 1.496 20 0 BDADRP C[C@H]([NH3+])CCC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000193324198 387199941 /nfs/dbraw/zinc/19/99/41/387199941.db2.gz FDESUJXIBGLUKC-LBPRGKRZSA-N 2 0 249.358 1.101 20 0 BDADRP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)[C@@H]1CCCOC1 ZINC000423349276 387201556 /nfs/dbraw/zinc/20/15/56/387201556.db2.gz VICIJDDWJJEKIW-BFHYXJOUSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000423463043 387311096 /nfs/dbraw/zinc/31/10/96/387311096.db2.gz LBIFZKRXJYCGIG-QSLWVIQJSA-N 2 0 240.391 1.907 20 0 BDADRP COCCC[C@H](C)[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423468183 387314462 /nfs/dbraw/zinc/31/44/62/387314462.db2.gz JNTVCZZTDSTOBG-XQQFMLRXSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)[C@@H]1CCCOC1 ZINC000423466006 387315290 /nfs/dbraw/zinc/31/52/90/387315290.db2.gz AKIJIXNOXOUINT-MJBXVCDLSA-N 2 0 240.391 1.923 20 0 BDADRP Cc1cc(N)cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c1 ZINC000423469334 387316825 /nfs/dbraw/zinc/31/68/25/387316825.db2.gz CAASAQXUGICNHD-WDEREUQCSA-N 2 0 221.348 1.793 20 0 BDADRP CC[C@@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)C(C)C ZINC000423428385 387254374 /nfs/dbraw/zinc/25/43/74/387254374.db2.gz ONWVXPVXISZBMT-OLZOCXBDSA-N 2 0 228.380 1.779 20 0 BDADRP COCCC[C@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000423429323 387254725 /nfs/dbraw/zinc/25/47/25/387254725.db2.gz KEMVOYYBBHFKPI-RYUDHWBXSA-N 2 0 216.369 1.909 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCN[C@H]1C ZINC000423375409 387257391 /nfs/dbraw/zinc/25/73/91/387257391.db2.gz KLBRVTFKLAYQQX-GRYCIOLGSA-N 2 0 213.369 1.234 20 0 BDADRP C[C@H](N[C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000423377870 387259386 /nfs/dbraw/zinc/25/93/86/387259386.db2.gz KOJWMUZEIGTNLP-YVECIDJPSA-N 2 0 225.380 1.247 20 0 BDADRP COCC1CCC([NH2+][C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000423382191 387265161 /nfs/dbraw/zinc/26/51/61/387265161.db2.gz OCLWRKZSQTVNCN-GFJIZPEISA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)[C@H](C)O1 ZINC000423382116 387265187 /nfs/dbraw/zinc/26/51/87/387265187.db2.gz JUXCQUDYIRXPQN-JRPNMDOOSA-N 2 0 246.354 1.945 20 0 BDADRP C[C@H](NCc1ccc2c(c1)C[NH2+]C2)[C@@H]1CCC[NH2+]1 ZINC000423387445 387270199 /nfs/dbraw/zinc/27/01/99/387270199.db2.gz MURRADBSURACRK-NHYWBVRUSA-N 2 0 245.370 1.520 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423387361 387272292 /nfs/dbraw/zinc/27/22/92/387272292.db2.gz MNIHUEUEAMQNMX-LBPRGKRZSA-N 3 0 247.386 1.897 20 0 BDADRP CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423391667 387275723 /nfs/dbraw/zinc/27/57/23/387275723.db2.gz PNLWZWWIJXGCGS-QWRGUYRKSA-N 2 0 234.343 1.803 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+][C@@H](C)C1CCOCC1 ZINC000423391992 387276659 /nfs/dbraw/zinc/27/66/59/387276659.db2.gz XGGBOUYMRWGLGB-MNOVXSKESA-N 2 0 214.353 1.389 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423393065 387278185 /nfs/dbraw/zinc/27/81/85/387278185.db2.gz QIYJTJHGGFCVRM-WDEREUQCSA-N 3 0 233.359 1.505 20 0 BDADRP C[C@H](NC[C@H]1[NH2+]CCCC1(C)C)[C@@H]1CCC[NH2+]1 ZINC000423393239 387279355 /nfs/dbraw/zinc/27/93/55/387279355.db2.gz QVLOYJKLFXTDDD-RWMBFGLXSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@H](NC[C@H]1[NH2+]CCCC1(C)C)[C@H]1CCC[NH2+]1 ZINC000423393243 387279618 /nfs/dbraw/zinc/27/96/18/387279618.db2.gz QVLOYJKLFXTDDD-YNEHKIRRSA-N 2 0 239.407 1.495 20 0 BDADRP CC[C@H]([NH2+][C@H](C)CCCC[NH3+])c1nccn1C ZINC000423435049 387286232 /nfs/dbraw/zinc/28/62/32/387286232.db2.gz ONLPPJWQAGWTDH-NEPJUHHUSA-N 2 0 238.379 1.978 20 0 BDADRP CC[NH2+]CCC[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000643499208 387286468 /nfs/dbraw/zinc/28/64/68/387286468.db2.gz INPOATKGRRDMDO-NEPJUHHUSA-N 2 0 214.353 1.533 20 0 BDADRP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@H]1CCCC12CCCC2 ZINC000423435846 387286713 /nfs/dbraw/zinc/28/67/13/387286713.db2.gz SQWLPDRTUCNSTP-UPJWGTAASA-N 2 0 238.375 1.269 20 0 BDADRP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])C1(C)C ZINC000423437669 387288230 /nfs/dbraw/zinc/28/82/30/387288230.db2.gz GLDSZZQKZLKIFZ-NOOOWODRSA-N 2 0 228.380 1.904 20 0 BDADRP C[C@@H]1C[C@H]([N@H+](C)CCC(C)(C)O)CCN1C ZINC000360457909 387289257 /nfs/dbraw/zinc/28/92/57/387289257.db2.gz XBWAEBHZXPLFRA-VXGBXAGGSA-N 2 0 228.380 1.562 20 0 BDADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000423439421 387290106 /nfs/dbraw/zinc/29/01/06/387290106.db2.gz AARRLJPBLJCDRI-HTVCTNPSSA-N 2 0 240.391 1.907 20 0 BDADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCCCC1 ZINC000088397314 387293731 /nfs/dbraw/zinc/29/37/31/387293731.db2.gz SJVMQJVFUZUJCH-GJZGRUSLSA-N 2 0 248.370 1.403 20 0 BDADRP C[C@H](C[C@H]1CCOC1)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000643461972 387295173 /nfs/dbraw/zinc/29/51/73/387295173.db2.gz IICODKLRDQKENP-FDYHWXHSSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000423447942 387297097 /nfs/dbraw/zinc/29/70/97/387297097.db2.gz PJEAZODMLHPDBM-JZRPKSSGSA-N 2 0 238.375 1.659 20 0 BDADRP CC[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])C1(C(=O)OC)CCC1 ZINC000423448579 387297878 /nfs/dbraw/zinc/29/78/78/387297878.db2.gz QOMNURWSOALHDO-AXFHLTTASA-N 2 0 242.363 1.434 20 0 BDADRP Cc1cc(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)on1 ZINC000353995190 387307406 /nfs/dbraw/zinc/30/74/06/387307406.db2.gz HHHSDSFHKLFTLM-ZWNOBZJWSA-N 2 0 237.347 1.455 20 0 BDADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000423536061 387361346 /nfs/dbraw/zinc/36/13/46/387361346.db2.gz GISGBXCANGHSGD-YPMHNXCESA-N 3 0 223.364 1.026 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1cn[nH]c1 ZINC000423481009 387361689 /nfs/dbraw/zinc/36/16/89/387361689.db2.gz WMQFVBKOEJZCHH-JBLDHEPKSA-N 2 0 222.336 1.578 20 0 BDADRP COC[C@H]([NH2+]CCC1=CC[NH2+]CC1)C(C)C ZINC000423535909 387362182 /nfs/dbraw/zinc/36/21/82/387362182.db2.gz FYASFPCZCNLWAU-ZDUSSCGKSA-N 2 0 226.364 1.557 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@H](CC)C1(C(=O)OC)CCC1 ZINC000423481620 387364259 /nfs/dbraw/zinc/36/42/59/387364259.db2.gz XAHKGKWOSZCDIH-GHMZBOCLSA-N 2 0 242.363 1.435 20 0 BDADRP Cc1cc([C@H](C)[NH2+]CCC2=CC[NH2+]CC2)nn1C ZINC000423539039 387365511 /nfs/dbraw/zinc/36/55/11/387365511.db2.gz OIDTUHIDGIOVAK-LBPRGKRZSA-N 2 0 248.374 1.689 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423553586 387372306 /nfs/dbraw/zinc/37/23/06/387372306.db2.gz KMSOSAYYCHGSBP-NEPJUHHUSA-N 3 0 213.369 1.236 20 0 BDADRP COC[C@H]([NH2+]CCC[NH2+]C1CC1)C1CCCC1 ZINC000423562545 387378252 /nfs/dbraw/zinc/37/82/52/387378252.db2.gz QQAYYQDKIKVBHG-AWEZNQCLSA-N 2 0 240.391 1.923 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H](Cn1cccn1)C(C)C ZINC000423473125 387319756 /nfs/dbraw/zinc/31/97/56/387319756.db2.gz QNVWCNSQYAFAPX-RYUDHWBXSA-N 2 0 224.352 1.235 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCCO1 ZINC000423473784 387320204 /nfs/dbraw/zinc/32/02/04/387320204.db2.gz ODPNEMYEHREZNM-LOWDOPEQSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@H]([NH3+])[C@H](C)N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423483498 387328478 /nfs/dbraw/zinc/32/84/78/387328478.db2.gz XWNYBYCUCNSOPL-RBJBARPLSA-N 2 0 219.332 1.457 20 0 BDADRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cn[nH]c1 ZINC000423485787 387330534 /nfs/dbraw/zinc/33/05/34/387330534.db2.gz RWNKMJRZYWOXES-PWSUYJOCSA-N 2 0 222.336 1.593 20 0 BDADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cn[nH]c1 ZINC000423485784 387330943 /nfs/dbraw/zinc/33/09/43/387330943.db2.gz RWNKMJRZYWOXES-JQWIXIFHSA-N 2 0 222.336 1.593 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000423490616 387336859 /nfs/dbraw/zinc/33/68/59/387336859.db2.gz IHPYPGRVHANSAZ-DGTMBMJNSA-N 3 0 239.407 1.432 20 0 BDADRP CC[NH+](CC)CCN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623337308 387337209 /nfs/dbraw/zinc/33/72/09/387337209.db2.gz CQKOZODSMLTBAJ-ZDUSSCGKSA-N 2 0 241.423 1.791 20 0 BDADRP COCC1CCC([NH2+][C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000423521022 387353577 /nfs/dbraw/zinc/35/35/77/387353577.db2.gz WVKKUJKCEDQRGC-YIOUJQMASA-N 2 0 240.391 1.909 20 0 BDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H](C)C[NH2+]C ZINC000423776436 387423419 /nfs/dbraw/zinc/42/34/19/387423419.db2.gz QLKMEJPLYWDHTJ-NEPJUHHUSA-N 2 0 243.395 1.079 20 0 BDADRP Cc1cc(C[NH+](C)C)cc(NC(=O)CCC[NH3+])c1 ZINC000423786977 387427194 /nfs/dbraw/zinc/42/71/94/387427194.db2.gz QSFPDOADRNLOGD-UHFFFAOYSA-N 2 0 249.358 1.734 20 0 BDADRP CC[NH+](CC)CCC[N@H+](C)[C@H]1CCC[C@@H]1O ZINC000352669233 387429751 /nfs/dbraw/zinc/42/97/51/387429751.db2.gz YEHNXNXRTDEZRY-STQMWFEESA-N 2 0 228.380 1.564 20 0 BDADRP CC[NH+](CC)CCC[N@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352669231 387430636 /nfs/dbraw/zinc/43/06/36/387430636.db2.gz YEHNXNXRTDEZRY-OLZOCXBDSA-N 2 0 228.380 1.564 20 0 BDADRP CC(C)(C[NH2+]CC1(C)COC1)C[NH+]1CCCC1 ZINC000352705513 387447065 /nfs/dbraw/zinc/44/70/65/387447065.db2.gz POEWKPDDBPZLCN-UHFFFAOYSA-N 2 0 240.391 1.735 20 0 BDADRP Cn1cncc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000336605000 387449308 /nfs/dbraw/zinc/44/93/08/387449308.db2.gz ZCTIOYQCVYJADK-CYBMUJFWSA-N 2 0 248.374 1.242 20 0 BDADRP C[C@@H](CCC[NH3+])NC(=O)c1ccc2c[nH+]cn2c1 ZINC000423675731 387395128 /nfs/dbraw/zinc/39/51/28/387395128.db2.gz FKJPHKZSVADRHB-JTQLQIEISA-N 2 0 246.314 1.192 20 0 BDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)CCC[NH2+]C ZINC000423767734 387419030 /nfs/dbraw/zinc/41/90/30/387419030.db2.gz DTKHRJHDCXVFIN-LBPRGKRZSA-N 2 0 243.395 1.223 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@@H]1COC(C)(C)C1 ZINC000396832457 387497111 /nfs/dbraw/zinc/49/71/11/387497111.db2.gz STNWONNKVDEGMJ-NSHDSACASA-N 2 0 214.353 1.485 20 0 BDADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc[nH]c2)C1 ZINC000086251626 387518773 /nfs/dbraw/zinc/51/87/73/387518773.db2.gz PUXKQXCAAKNJKP-ZDUSSCGKSA-N 2 0 221.348 1.836 20 0 BDADRP C[C@H](C[NH+]1CCC(O)(C[NH3+])CC1)c1ccccc1 ZINC000397052402 387534175 /nfs/dbraw/zinc/53/41/75/387534175.db2.gz YUEXDFYUGJXGQW-CYBMUJFWSA-N 2 0 248.370 1.576 20 0 BDADRP CCc1ccccc1C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000397077921 387538432 /nfs/dbraw/zinc/53/84/32/387538432.db2.gz DUBURKBAVOFDIN-UHFFFAOYSA-N 2 0 248.370 1.535 20 0 BDADRP C[C@@H](CC[NH2+]CC1(C)COC1)[NH+]1CCCCC1 ZINC000352737591 387464044 /nfs/dbraw/zinc/46/40/44/387464044.db2.gz QNUNXHOVFKTXDY-ZDUSSCGKSA-N 2 0 240.391 1.877 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000643471071 387478026 /nfs/dbraw/zinc/47/80/26/387478026.db2.gz XQAMMTMTDIDGGE-XJFOESAGSA-N 2 0 240.391 1.787 20 0 BDADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCCF)C1 ZINC000361517993 387480778 /nfs/dbraw/zinc/48/07/78/387480778.db2.gz GWHFQFGNSLFGQN-CYBMUJFWSA-N 2 0 246.370 1.779 20 0 BDADRP CO[C@@H]1CCC[N@H+](CCC[NH+]2CCCC2)CC1 ZINC000374698479 387483813 /nfs/dbraw/zinc/48/38/13/387483813.db2.gz JLOYVLPZZVKZIE-CQSZACIVSA-N 2 0 240.391 1.973 20 0 BDADRP Cc1occc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000643472331 387484386 /nfs/dbraw/zinc/48/43/86/387484386.db2.gz XTPKTFRKHZMBSX-JQWIXIFHSA-N 2 0 208.305 1.805 20 0 BDADRP CC(C)[NH2+]CCC[NH2+][C@H]1CCOC[C@@H]1C ZINC000643508445 387490475 /nfs/dbraw/zinc/49/04/75/387490475.db2.gz KMVVNGQQRUWZGH-RYUDHWBXSA-N 2 0 214.353 1.389 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+]CCC[NH2+]C(C)C)C1 ZINC000643508404 387490967 /nfs/dbraw/zinc/49/09/67/387490967.db2.gz DPZSSGDZILCUJY-CHWSQXEVSA-N 2 0 228.380 1.922 20 0 BDADRP CC(C)[NH2+]CCC[NH2+][C@@H]1CCOC[C@@H]1C ZINC000643508444 387491219 /nfs/dbraw/zinc/49/12/19/387491219.db2.gz KMVVNGQQRUWZGH-NWDGAFQWSA-N 2 0 214.353 1.389 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422716138 387628160 /nfs/dbraw/zinc/62/81/60/387628160.db2.gz UCDUCNDOZORFLL-IACUBPJLSA-N 2 0 242.407 1.761 20 0 BDADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCc1cccnc1 ZINC000123716551 387591722 /nfs/dbraw/zinc/59/17/22/387591722.db2.gz SCZLPEQXBLBAHQ-AWEZNQCLSA-N 2 0 235.375 1.929 20 0 BDADRP CC(C)C[C@@H](CN)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000643511198 387591752 /nfs/dbraw/zinc/59/17/52/387591752.db2.gz OYLYEDZOWGQICJ-JSGCOSHPSA-N 2 0 241.423 1.680 20 0 BDADRP C[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)C[NH+]1CCCC1 ZINC000400725157 387592299 /nfs/dbraw/zinc/59/22/99/387592299.db2.gz PEECWFMMPJGNEX-RDBSUJKOSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H](CN[C@@H]1CCC[C@H]1[NH3+])C[NH+]1CCCC1 ZINC000422716852 387628701 /nfs/dbraw/zinc/62/87/01/387628701.db2.gz KDCHDPBNYUJGOZ-JHJVBQTASA-N 2 0 225.380 1.188 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)[C@H]([NH3+])C2CCC2)c1 ZINC000422534549 387595344 /nfs/dbraw/zinc/59/53/44/387595344.db2.gz BGKOHDFMKZJASX-CYBMUJFWSA-N 2 0 247.342 1.472 20 0 BDADRP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc(C2CC2)c1 ZINC000422555916 387598603 /nfs/dbraw/zinc/59/86/03/387598603.db2.gz RKAMCQQHHCKROX-CABCVRRESA-N 2 0 246.354 1.234 20 0 BDADRP Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH3+])c(C)n1 ZINC000643514822 387599754 /nfs/dbraw/zinc/59/97/54/387599754.db2.gz MEBZVPDWZPUKSK-GXSJLCMTSA-N 2 0 221.348 1.944 20 0 BDADRP CC(C)[C@H](O)CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000305364949 387601516 /nfs/dbraw/zinc/60/15/16/387601516.db2.gz VIAFMHJURWQIBJ-BFHYXJOUSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@@H]1C[C@@H](C)[N@H+](CCOCC2CC2)C[C@@H]1C[NH3+] ZINC000422635889 387610713 /nfs/dbraw/zinc/61/07/13/387610713.db2.gz LZXJLNXFNIIXIB-BZPMIXESSA-N 2 0 240.391 1.718 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](Cc2ccnc(N)c2)C[C@H]1C[NH3+] ZINC000422638215 387610866 /nfs/dbraw/zinc/61/08/66/387610866.db2.gz PZEBGEXGKCIOKF-NTZNESFSSA-N 2 0 248.374 1.299 20 0 BDADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccnc(N)c2)C[C@H]1C[NH3+] ZINC000422638213 387611662 /nfs/dbraw/zinc/61/16/62/387611662.db2.gz PZEBGEXGKCIOKF-NQBHXWOUSA-N 2 0 248.374 1.299 20 0 BDADRP CC(C)CCOCC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000305593633 387614362 /nfs/dbraw/zinc/61/43/62/387614362.db2.gz YKKCCIYITUUASC-CQSZACIVSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]Cc1cn2ccsc2n1 ZINC000422700976 387614542 /nfs/dbraw/zinc/61/45/42/387614542.db2.gz HQCUMXJOCHIJEU-SECBINFHSA-N 2 0 238.360 1.613 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1CCCCO1 ZINC000422701492 387615273 /nfs/dbraw/zinc/61/52/73/387615273.db2.gz IRQBZOUCVJNPTG-AXFHLTTASA-N 2 0 200.326 1.271 20 0 BDADRP COC[C@@H](C)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422699779 387616041 /nfs/dbraw/zinc/61/60/41/387616041.db2.gz FFKBMRBVGSSJLW-QJPTWQEYSA-N 2 0 214.353 1.389 20 0 BDADRP CC[C@@H](C)[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422705181 387620053 /nfs/dbraw/zinc/62/00/53/387620053.db2.gz BIIGEBPYAYSDGL-OCIKQUFWSA-N 2 0 226.364 1.266 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422707098 387620330 /nfs/dbraw/zinc/62/03/30/387620330.db2.gz GQSZTEYSNAKNNQ-QNWHQSFQSA-N 2 0 228.380 1.643 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422707099 387621668 /nfs/dbraw/zinc/62/16/68/387621668.db2.gz GQSZTEYSNAKNNQ-UMSGYPCISA-N 2 0 228.380 1.643 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCCCNc1ccccn1 ZINC000422704248 387621726 /nfs/dbraw/zinc/62/17/26/387621726.db2.gz OZZPOEJSKHEGES-QWHCGFSZSA-N 2 0 248.374 1.743 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000422704428 387621809 /nfs/dbraw/zinc/62/18/09/387621809.db2.gz PQJMJQYOUIWWDM-XQQFMLRXSA-N 2 0 226.364 1.805 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCCOC1)[C@H]1CCC[NH2+]1 ZINC000422710447 387623132 /nfs/dbraw/zinc/62/31/32/387623132.db2.gz FTCKCYZVRBQGLB-IJLUTSLNSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H](CCc1ccco1)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000643516434 387623987 /nfs/dbraw/zinc/62/39/87/387623987.db2.gz CPBIAUGMYNHOJK-MFKMUULPSA-N 2 0 222.332 1.928 20 0 BDADRP CCC[NH+](CCC)CCCN[C@@H]1CCC[C@H]1[NH3+] ZINC000422712366 387625342 /nfs/dbraw/zinc/62/53/42/387625342.db2.gz OBGOAYWKEWHTTL-ZIAGYGMSSA-N 2 0 241.423 1.968 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCOCC2CC2)C1 ZINC000430537812 387625682 /nfs/dbraw/zinc/62/56/82/387625682.db2.gz HXSOEDTZCCEANX-DGCLKSJQSA-N 2 0 226.364 1.472 20 0 BDADRP CCOCCCC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422723764 387633191 /nfs/dbraw/zinc/63/31/91/387633191.db2.gz SIYTTXGMMMEFGS-CHWSQXEVSA-N 2 0 228.380 1.781 20 0 BDADRP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C(C)C ZINC000042588496 387634729 /nfs/dbraw/zinc/63/47/29/387634729.db2.gz RNBSUQZETBOMIE-CHWSQXEVSA-N 2 0 228.380 1.467 20 0 BDADRP COc1ccc(C[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000422729163 387638933 /nfs/dbraw/zinc/63/89/33/387638933.db2.gz HLAGFHYXFXHDCR-JTQLQIEISA-N 2 0 220.316 1.393 20 0 BDADRP COCCC[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422734670 387643579 /nfs/dbraw/zinc/64/35/79/387643579.db2.gz UQAIJBDBHYLJTK-GXTWGEPZSA-N 2 0 236.359 1.571 20 0 BDADRP C[C@@H](O)[C@@H]1CCCC[N@@H+]1CCCn1ccnc1 ZINC000305757029 387646886 /nfs/dbraw/zinc/64/68/86/387646886.db2.gz AQFKBVGVECTVEC-OLZOCXBDSA-N 2 0 237.347 1.509 20 0 BDADRP C[C@@H](NC[C@H](C)[N@H+](C)C1CC1)[C@H]1CCCC[NH2+]1 ZINC000422741496 387647480 /nfs/dbraw/zinc/64/74/80/387647480.db2.gz ONNBQKKKQUOKAJ-OUCADQQQSA-N 2 0 239.407 1.589 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1NCC[N@H+](C)C1CCCC1 ZINC000422745038 387648549 /nfs/dbraw/zinc/64/85/49/387648549.db2.gz ULNHMXKGGOQHQF-TZMCWYRMSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CCN(C2CC2)C1 ZINC000422746145 387651387 /nfs/dbraw/zinc/65/13/87/387651387.db2.gz VZYODZUUPXZBKQ-MBNYWOFBSA-N 2 0 237.391 1.201 20 0 BDADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCCO1 ZINC000422746152 387651401 /nfs/dbraw/zinc/65/14/01/387651401.db2.gz NLCNGWLWNIGZQL-NWANDNLSSA-N 2 0 248.370 1.714 20 0 BDADRP CC[NH+](CC)CCN[C@H](C)c1c[nH+]ccc1N ZINC000422747142 387651566 /nfs/dbraw/zinc/65/15/66/387651566.db2.gz PFWVLGMFWUXJAO-LLVKDONJSA-N 2 0 236.363 1.487 20 0 BDADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1CCCCC1 ZINC000422749592 387652676 /nfs/dbraw/zinc/65/26/76/387652676.db2.gz ZVCCDVBQHJNMHU-IACUBPJLSA-N 2 0 240.391 1.909 20 0 BDADRP CC[C@@H](NCCn1ccnc1)[C@@H]1CCC[NH2+]1 ZINC000422750073 387655012 /nfs/dbraw/zinc/65/50/12/387655012.db2.gz CAXKTYZCPUQQNT-NEPJUHHUSA-N 3 0 222.336 1.003 20 0 BDADRP c1ccc(OCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422749782 387655145 /nfs/dbraw/zinc/65/51/45/387655145.db2.gz AWWJSHKJQLBNFG-PBWFPOADSA-N 2 0 246.354 1.938 20 0 BDADRP CSCCC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422749786 387655159 /nfs/dbraw/zinc/65/51/59/387655159.db2.gz AXHGXFSAOVTZDJ-WDEREUQCSA-N 2 0 216.394 1.717 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCn1cnc2ccccc21 ZINC000422755270 387658129 /nfs/dbraw/zinc/65/81/29/387658129.db2.gz GOEXXAFJXAQZEN-NEPJUHHUSA-N 2 0 244.342 1.506 20 0 BDADRP C[C@H]1C[N@H+](CCN(C)c2ccccc2)CC[C@@H]1[NH3+] ZINC000430918484 387660107 /nfs/dbraw/zinc/66/01/07/387660107.db2.gz NEJRHVROUONIPJ-ZFWWWQNUSA-N 2 0 247.386 1.792 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@H](C)C[C@H](C)[NH3+] ZINC000422756877 387660310 /nfs/dbraw/zinc/66/03/10/387660310.db2.gz MATOIFNESNIGJV-QJPTWQEYSA-N 2 0 213.369 1.186 20 0 BDADRP C[NH+](C)[C@H](CN[C@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000422757864 387660737 /nfs/dbraw/zinc/66/07/37/387660737.db2.gz NDSKSBRZGBLAMX-SOUVJXGZSA-N 2 0 247.386 1.759 20 0 BDADRP CC(C)(C)C[C@H](O)C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422758324 387661850 /nfs/dbraw/zinc/66/18/50/387661850.db2.gz JIGXQOREUIBAHZ-AXFHLTTASA-N 2 0 214.353 1.253 20 0 BDADRP CCCC[C@H](COC)[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422761652 387662828 /nfs/dbraw/zinc/66/28/28/387662828.db2.gz RJVSAJFCVLFXOM-QJPTWQEYSA-N 2 0 216.369 1.907 20 0 BDADRP CC(C)OCCC[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000430933512 387663464 /nfs/dbraw/zinc/66/34/64/387663464.db2.gz LEIISMGHDXMKLB-GFCCVEGCSA-N 2 0 228.380 1.861 20 0 BDADRP C[C@@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)C1C[NH2+]C1 ZINC000422761880 387664273 /nfs/dbraw/zinc/66/42/73/387664273.db2.gz NAWCZCGXNROLFT-YPMHNXCESA-N 2 0 241.423 1.550 20 0 BDADRP COc1ccccc1CC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422763555 387664731 /nfs/dbraw/zinc/66/47/31/387664731.db2.gz OVNWRXPNZSDWQC-NEPJUHHUSA-N 2 0 236.359 1.953 20 0 BDADRP C[NH+](C)C1CC[NH+](C[C@@H](O)C(C)(C)C)CC1 ZINC000044132955 387673044 /nfs/dbraw/zinc/67/30/44/387673044.db2.gz ZHRIUQARLPMMIN-GFCCVEGCSA-N 2 0 228.380 1.419 20 0 BDADRP C[NH+](C)CC1CC[NH+](C[C@H](O)C(C)(C)C)CC1 ZINC000044169715 387673268 /nfs/dbraw/zinc/67/32/68/387673268.db2.gz YGCLEPDVIKZESW-ZDUSSCGKSA-N 2 0 242.407 1.667 20 0 BDADRP COCCOCCC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422777235 387674607 /nfs/dbraw/zinc/67/46/07/387674607.db2.gz BTWRUTSDVWVNIT-OLZOCXBDSA-N 2 0 244.379 1.289 20 0 BDADRP C[C@H]1CC[NH2+]C[C@@H]1NCCC[NH+]1CCCC1 ZINC000422776915 387674743 /nfs/dbraw/zinc/67/47/43/387674743.db2.gz BEWMJCSZOFPXPC-STQMWFEESA-N 2 0 225.380 1.060 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1NCCC[NH+]1CCCC1 ZINC000422780169 387679401 /nfs/dbraw/zinc/67/94/01/387679401.db2.gz GZSSBELRURBWOP-KBPBESRZSA-N 2 0 239.407 1.450 20 0 BDADRP CCC[NH+]1CCC(N[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000422781136 387681614 /nfs/dbraw/zinc/68/16/14/387681614.db2.gz KLEOGUYBUDWRIY-NEPJUHHUSA-N 2 0 227.396 1.576 20 0 BDADRP CCCCOCC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422784658 387684303 /nfs/dbraw/zinc/68/43/03/387684303.db2.gz QBONTBHSYACZIV-OLZOCXBDSA-N 2 0 228.380 1.781 20 0 BDADRP CC[C@H]([NH2+]CC[C@H](O)C(C)C)[C@@H]1CCCC[NH2+]1 ZINC000422788093 387687478 /nfs/dbraw/zinc/68/74/78/387687478.db2.gz VEGRLVWINKUBJK-IHRRRGAJSA-N 2 0 242.407 1.904 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1NCCC[NH+]1CCCCC1 ZINC000422786942 387687962 /nfs/dbraw/zinc/68/79/62/387687962.db2.gz PINBBTQDRNTASE-ZIAGYGMSSA-N 2 0 239.407 1.450 20 0 BDADRP C[C@H](Cc1ccccc1F)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422744471 387689387 /nfs/dbraw/zinc/68/93/87/387689387.db2.gz WDCKTYUMNSXSRG-MNOVXSKESA-N 2 0 236.334 1.954 20 0 BDADRP C[C@H](N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000422861057 387742982 /nfs/dbraw/zinc/74/29/82/387742982.db2.gz IWPSFOKHDXQSHP-CZXHOFHRSA-N 2 0 237.391 1.342 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@H](CCCO)C1 ZINC000452117847 387743839 /nfs/dbraw/zinc/74/38/39/387743839.db2.gz IQBMBTLROCOSAB-KBPBESRZSA-N 2 0 240.391 1.565 20 0 BDADRP C[C@@H](N[C@H]1CC[N@@H+](C2CCCC2)C1)C1C[NH2+]C1 ZINC000422863820 387745955 /nfs/dbraw/zinc/74/59/55/387745955.db2.gz SHGDIHGEVJPELS-YPMHNXCESA-N 2 0 237.391 1.201 20 0 BDADRP C[C@@H](C[NH2+][C@@H](C)C1C[NH2+]C1)N(C)c1ccccc1 ZINC000422866945 387746783 /nfs/dbraw/zinc/74/67/83/387746783.db2.gz RFNPLUYCEHWJNC-STQMWFEESA-N 2 0 247.386 1.709 20 0 BDADRP C[C@@H]1CCC[N@H+](CCN[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000422864849 387747095 /nfs/dbraw/zinc/74/70/95/387747095.db2.gz WMCXWQYLFNHDIO-MCIONIFRSA-N 2 0 239.407 1.306 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000422872007 387748846 /nfs/dbraw/zinc/74/88/46/387748846.db2.gz FHKILTWYZILHBK-YRGRVCCFSA-N 2 0 239.407 1.576 20 0 BDADRP CC1CC[NH+](CCN[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000422868058 387749002 /nfs/dbraw/zinc/74/90/02/387749002.db2.gz UFTMHTHHMZWAJC-STQMWFEESA-N 2 0 225.380 1.188 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000422873137 387752119 /nfs/dbraw/zinc/75/21/19/387752119.db2.gz KCYDVBABRFKXHY-WZRBSPASSA-N 2 0 225.380 1.186 20 0 BDADRP CC[N@H+](CCN[C@@H](C)[C@@H]1CCCC[NH2+]1)C(C)C ZINC000422877909 387756519 /nfs/dbraw/zinc/75/65/19/387756519.db2.gz IUUOBFMBWQHEIW-KBPBESRZSA-N 2 0 241.423 1.837 20 0 BDADRP C[C@@H](CCCO)[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422878426 387754513 /nfs/dbraw/zinc/75/45/13/387754513.db2.gz SZFQEZXVJQQKNT-SDDRHHMPSA-N 2 0 214.353 1.268 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCC(F)(F)F ZINC000157155308 387754541 /nfs/dbraw/zinc/75/45/41/387754541.db2.gz OLVGMQRJMPQBKO-BDAKNGLRSA-N 2 0 224.270 1.869 20 0 BDADRP c1cnc2c(c1)CCC[C@@H]2[NH2+]CC1=CC[NH2+]CC1 ZINC000643520548 387700275 /nfs/dbraw/zinc/70/02/75/387700275.db2.gz ZSHGSHUTYNYOAY-AWEZNQCLSA-N 2 0 243.354 1.968 20 0 BDADRP COCC[C@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000045018343 387701233 /nfs/dbraw/zinc/70/12/33/387701233.db2.gz WVRBCLUUPYMZNR-ZDUSSCGKSA-N 2 0 228.380 1.877 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])C1CCOCC1 ZINC000422802454 387701313 /nfs/dbraw/zinc/70/13/13/387701313.db2.gz BNHJDZZMPFVQPE-GVXVVHGQSA-N 2 0 228.380 1.907 20 0 BDADRP CC(C)C[C@H](CCO)C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422801273 387702432 /nfs/dbraw/zinc/70/24/32/387702432.db2.gz BQXGENIKQNMMDL-RWMBFGLXSA-N 2 0 228.380 1.501 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1NCC[NH+]1CCCCCC1 ZINC000422807820 387704430 /nfs/dbraw/zinc/70/44/30/387704430.db2.gz NHCGVDSWGNCSMT-KGLIPLIRSA-N 2 0 239.407 1.450 20 0 BDADRP CC(C)C[C@H](CCO)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422805517 387704988 /nfs/dbraw/zinc/70/49/88/387704988.db2.gz JGVRGZYESFFZFT-IHRRRGAJSA-N 2 0 242.407 1.761 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)NCC[NH+]1CCCCC1 ZINC000422807945 387706601 /nfs/dbraw/zinc/70/66/01/387706601.db2.gz KMVOJYZAPRRCEE-VXGBXAGGSA-N 2 0 213.369 1.188 20 0 BDADRP C[C@H](NCC[NH+]1CCCCCC1)C1C[NH2+]C1 ZINC000422807798 387706697 /nfs/dbraw/zinc/70/66/97/387706697.db2.gz NFNSJAUKDLSABQ-LBPRGKRZSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000422810948 387707648 /nfs/dbraw/zinc/70/76/48/387707648.db2.gz SPPRGAXYSZDCFU-GVXVVHGQSA-N 2 0 234.343 1.706 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1NCC[NH+]1CCCCCC1 ZINC000422808584 387708219 /nfs/dbraw/zinc/70/82/19/387708219.db2.gz OMMHQTPKTWATJI-STQMWFEESA-N 2 0 225.380 1.332 20 0 BDADRP C[C@@H](Cc1cccs1)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422808269 387708271 /nfs/dbraw/zinc/70/82/71/387708271.db2.gz OCZZRJWYVPAPLL-UWVGGRQHSA-N 2 0 224.373 1.877 20 0 BDADRP CO[C@H](C[NH2+][C@H](C)C[C@@H](C)[NH3+])C(C)C ZINC000422808597 387708493 /nfs/dbraw/zinc/70/84/93/387708493.db2.gz OOLJXUHUWNZYRR-GMTAPVOTSA-N 2 0 202.342 1.373 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])C(C)(C)C ZINC000422809358 387708614 /nfs/dbraw/zinc/70/86/14/387708614.db2.gz MCHPEJRABPPMAC-QJPTWQEYSA-N 2 0 228.380 1.765 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCN1CCCCC1 ZINC000422809354 387708891 /nfs/dbraw/zinc/70/88/91/387708891.db2.gz MBRVFQZBBVRSQQ-UONOGXRCSA-N 2 0 239.407 1.450 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1NCC[NH+]1CCCCCC1 ZINC000422808581 387709463 /nfs/dbraw/zinc/70/94/63/387709463.db2.gz OMMHQTPKTWATJI-CHWSQXEVSA-N 2 0 225.380 1.332 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])C(C)C ZINC000422810019 387709641 /nfs/dbraw/zinc/70/96/41/387709641.db2.gz QTNHNMJYESRHNX-RWMBFGLXSA-N 2 0 228.380 1.907 20 0 BDADRP CCC1(C[NH2+][C@H]2CCC[C@@H]2[NH3+])CCOCC1 ZINC000422814175 387712007 /nfs/dbraw/zinc/71/20/07/387712007.db2.gz TYBJYKMWSCYIKI-RYUDHWBXSA-N 2 0 226.364 1.663 20 0 BDADRP CC(C)C[NH+]1CCC(N[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000422817126 387713837 /nfs/dbraw/zinc/71/38/37/387713837.db2.gz GUJCDSSWYHIEMC-CHWSQXEVSA-N 2 0 241.423 1.822 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCc1cn2ccccc2n1 ZINC000422816490 387714889 /nfs/dbraw/zinc/71/48/89/387714889.db2.gz FLKQPFTUKVKAEQ-OLZOCXBDSA-N 2 0 244.342 1.346 20 0 BDADRP CCC[N@H+](CC)CCN[C@H]1CCC[C@@H]1[NH3+] ZINC000422817313 387715748 /nfs/dbraw/zinc/71/57/48/387715748.db2.gz CVIXQBNJZTXAFE-RYUDHWBXSA-N 2 0 213.369 1.188 20 0 BDADRP CSCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000377411557 387716635 /nfs/dbraw/zinc/71/66/35/387716635.db2.gz LOZMRLVMSGOPEQ-FOSCPWQOSA-N 2 0 228.405 1.906 20 0 BDADRP CCC[C@H](NC[C@@H](C)[NH3+])c1ccccn1 ZINC000643527793 387755400 /nfs/dbraw/zinc/75/54/00/387755400.db2.gz STWFVVNTSMIZGH-MNOVXSKESA-N 2 0 207.321 1.860 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCSC1 ZINC000422821190 387717893 /nfs/dbraw/zinc/71/78/93/387717893.db2.gz UXJSWDFBCJHCGZ-BBBLOLIVSA-N 2 0 200.351 1.351 20 0 BDADRP CC[N@H+](CCN[C@H](C)[C@@H]1CCCC[NH2+]1)C(C)C ZINC000422877910 387755506 /nfs/dbraw/zinc/75/55/06/387755506.db2.gz IUUOBFMBWQHEIW-KGLIPLIRSA-N 2 0 241.423 1.837 20 0 BDADRP C[C@@H]1C[C@@H](O)C[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000452069430 387722232 /nfs/dbraw/zinc/72/22/32/387722232.db2.gz MQWZCUKOGFWYLI-ZIAGYGMSSA-N 2 0 240.391 1.565 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCCNc1ccccn1 ZINC000422831121 387723659 /nfs/dbraw/zinc/72/36/59/387723659.db2.gz JETWGUIKDSVOFS-NEPJUHHUSA-N 2 0 236.363 1.599 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)C(C)(C)C)N1CC[NH+](C)CC1 ZINC000127703449 387724430 /nfs/dbraw/zinc/72/44/30/387724430.db2.gz IRPIFGKJPJVTAC-OLZOCXBDSA-N 2 0 241.423 1.647 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000422832848 387726128 /nfs/dbraw/zinc/72/61/28/387726128.db2.gz GHOGTYFOHSXTLS-HZSPNIEDSA-N 3 0 241.423 1.966 20 0 BDADRP CC(C)[C@H]([NH3+])CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000422846649 387734047 /nfs/dbraw/zinc/73/40/47/387734047.db2.gz FXZUCLXKAMXNQE-GFCCVEGCSA-N 2 0 246.314 1.047 20 0 BDADRP C[C@@H](NCCC[NH+]1CCC(C)CC1)C1C[NH2+]C1 ZINC000422790060 387735359 /nfs/dbraw/zinc/73/53/59/387735359.db2.gz UPZUJZJFJUHSOH-CYBMUJFWSA-N 2 0 239.407 1.306 20 0 BDADRP C[C@H](CN[C@@H](C)C[C@H](C)[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC000422852750 387737955 /nfs/dbraw/zinc/73/79/55/387737955.db2.gz BFANLPIPXZVKEX-ZOBORPQBSA-N 3 0 241.423 1.822 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCN(C2CCCC2)C1 ZINC000422858818 387740100 /nfs/dbraw/zinc/74/01/00/387740100.db2.gz IVPYSICRBCGFGS-QWHCGFSZSA-N 3 0 239.407 1.720 20 0 BDADRP CC(=O)Nc1cccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c1 ZINC000422856213 387740786 /nfs/dbraw/zinc/74/07/86/387740786.db2.gz FUAKOKSIZFBVHH-GHMZBOCLSA-N 2 0 249.358 1.860 20 0 BDADRP C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[N@@H+]1C1CC1 ZINC000422858614 387741242 /nfs/dbraw/zinc/74/12/42/387741242.db2.gz GPZVDXRVTLXRIV-YIPFDTCYSA-N 2 0 249.402 1.484 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1CCCOC1 ZINC000422856112 387741756 /nfs/dbraw/zinc/74/17/56/387741756.db2.gz DPFROPYQVJFBJI-IJLUTSLNSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CCN1CCCC[C@H]1C ZINC000422857087 387742162 /nfs/dbraw/zinc/74/21/62/387742162.db2.gz GVFCEFSHFAXTIB-UONOGXRCSA-N 2 0 241.423 1.968 20 0 BDADRP C(COCC1CC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422892399 387763454 /nfs/dbraw/zinc/76/34/54/387763454.db2.gz YIQBEUFUPJAIIL-FUNVUKJBSA-N 2 0 224.348 1.286 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCCN1C)c1cnccc1N ZINC000422898004 387766632 /nfs/dbraw/zinc/76/66/32/387766632.db2.gz DGVXZGUHNBMAOG-GHMZBOCLSA-N 2 0 234.347 1.239 20 0 BDADRP CCCCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)[NH3+])C1(C)C ZINC000643527577 387766666 /nfs/dbraw/zinc/76/66/66/387766666.db2.gz OSVKSTPKAZYHHA-GRYCIOLGSA-N 2 0 228.380 1.907 20 0 BDADRP C[C@H]([NH3+])C[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000643527730 387767824 /nfs/dbraw/zinc/76/78/24/387767824.db2.gz RPCBRCRQGQVHPC-AXFHLTTASA-N 2 0 202.317 1.842 20 0 BDADRP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422909057 387768551 /nfs/dbraw/zinc/76/85/51/387768551.db2.gz ZQHAVRQKMIGNAF-WRWGMCAJSA-N 2 0 212.337 1.413 20 0 BDADRP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422909055 387768765 /nfs/dbraw/zinc/76/87/65/387768765.db2.gz ZQHAVRQKMIGNAF-NOOOWODRSA-N 2 0 212.337 1.413 20 0 BDADRP C[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422908854 387770196 /nfs/dbraw/zinc/77/01/96/387770196.db2.gz ZQHAVRQKMIGNAF-KXNHARMFSA-N 2 0 212.337 1.413 20 0 BDADRP CN(C)c1ccccc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000422914885 387770720 /nfs/dbraw/zinc/77/07/20/387770720.db2.gz WJEUXSUXJTZMJJ-TZMCWYRMSA-N 2 0 247.386 1.970 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422915041 387770800 /nfs/dbraw/zinc/77/08/00/387770800.db2.gz AMJMKPUFFJMUPM-FRRDWIJNSA-N 2 0 228.380 1.515 20 0 BDADRP COc1cccc(C[C@H]([NH2+]C[C@@H](C)[NH3+])C2CC2)c1 ZINC000643528873 387771691 /nfs/dbraw/zinc/77/16/91/387771691.db2.gz QIQZZURVRFFRNB-ABAIWWIYSA-N 2 0 248.370 1.953 20 0 BDADRP COc1cccc(C[C@@H]([NH2+]C[C@@H](C)[NH3+])C2CC2)c1 ZINC000643528874 387772313 /nfs/dbraw/zinc/77/23/13/387772313.db2.gz QIQZZURVRFFRNB-IAQYHMDHSA-N 2 0 248.370 1.953 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CCSC1 ZINC000422921729 387776176 /nfs/dbraw/zinc/77/61/76/387776176.db2.gz QSPBVPWGVMRABH-GMTAPVOTSA-N 2 0 214.378 1.742 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422926352 387779540 /nfs/dbraw/zinc/77/95/40/387779540.db2.gz WNIOBPKSTWNCAH-XQQFMLRXSA-N 2 0 228.380 1.787 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)[C@@H]1CCC[NH2+]1 ZINC000422925698 387780306 /nfs/dbraw/zinc/78/03/06/387780306.db2.gz BLCBKQVFTXZLOZ-DYEKYZERSA-N 2 0 248.374 1.387 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000643530005 387782279 /nfs/dbraw/zinc/78/22/79/387782279.db2.gz WRMOCQCJTSDZHK-IJLUTSLNSA-N 2 0 214.353 1.532 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1CCOC1)[C@H]1CCCC[NH2+]1 ZINC000422900103 387785197 /nfs/dbraw/zinc/78/51/97/387785197.db2.gz PWHYNRVNCSDRPS-RWMBFGLXSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)C[C@@H]1CCCO1 ZINC000422899981 387786467 /nfs/dbraw/zinc/78/64/67/387786467.db2.gz IPPXQPKUJRDLEG-UTUOFQBUSA-N 2 0 214.353 1.661 20 0 BDADRP OC1CC(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000432408934 387786618 /nfs/dbraw/zinc/78/66/18/387786618.db2.gz DJDBOEGSUPEKGV-QPPOZKHWSA-N 2 0 238.375 1.364 20 0 BDADRP Oc1ccccc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422978344 387788714 /nfs/dbraw/zinc/78/87/14/387788714.db2.gz YZRQLEWUWBIIFI-PBWFPOADSA-N 2 0 246.354 1.807 20 0 BDADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1(O)CCC1 ZINC000422982743 387793175 /nfs/dbraw/zinc/79/31/75/387793175.db2.gz XUAAHEKXQDVHQP-OCCSQVGLSA-N 2 0 248.370 1.450 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](CO)c1ccccc1 ZINC000422983429 387793219 /nfs/dbraw/zinc/79/32/19/387793219.db2.gz ZLKFXINIWXWMQP-GMXVVIOVSA-N 2 0 222.332 1.435 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc2c(c1)COC2 ZINC000422986712 387795809 /nfs/dbraw/zinc/79/58/09/387795809.db2.gz DHFVPIVKGNPQPR-MNOVXSKESA-N 2 0 234.343 1.932 20 0 BDADRP CC(C)[N@@H+](C)CCCN[C@H](C)C[C@H](C)[NH3+] ZINC000422963148 387813065 /nfs/dbraw/zinc/81/30/65/387813065.db2.gz HRPIBUXEQUJDNJ-NWDGAFQWSA-N 2 0 215.385 1.432 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H](CO)c1ccccc1 ZINC000422989252 387797282 /nfs/dbraw/zinc/79/72/82/387797282.db2.gz AOVPDNSIVZMDCJ-MJBXVCDLSA-N 2 0 234.343 1.232 20 0 BDADRP COc1cccc(CC[NH2+][C@@H](C)CCC[NH3+])n1 ZINC000422988904 387797323 /nfs/dbraw/zinc/79/73/23/387797323.db2.gz AKXQTXKOMIAVNO-NSHDSACASA-N 2 0 237.347 1.350 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000422988324 387797732 /nfs/dbraw/zinc/79/77/32/387797732.db2.gz KKMPJCORBJOCJG-KWBADKCTSA-N 2 0 240.322 1.575 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC(C)(C)CCCO ZINC000422989460 387798581 /nfs/dbraw/zinc/79/85/81/387798581.db2.gz LWGSGAPOYPQTGE-QWHCGFSZSA-N 2 0 242.407 1.763 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])CCO1 ZINC000422990187 387800844 /nfs/dbraw/zinc/80/08/44/387800844.db2.gz NCMPCFDAVOQHOA-XQHKEYJVSA-N 2 0 226.364 1.659 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CC1(CCO)CCC1 ZINC000422995509 387802985 /nfs/dbraw/zinc/80/29/85/387802985.db2.gz YETPUTUIHFLPRO-STQMWFEESA-N 2 0 240.391 1.789 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC(C)(C)CCO ZINC000423002629 387807294 /nfs/dbraw/zinc/80/72/94/387807294.db2.gz GHZITGUZFMRKTN-NWDGAFQWSA-N 2 0 228.380 1.373 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000422883167 387757851 /nfs/dbraw/zinc/75/78/51/387757851.db2.gz BSQBQSWXOTWFGM-YYHQMBLXSA-N 2 0 226.364 1.659 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000422880750 387757942 /nfs/dbraw/zinc/75/79/42/387757942.db2.gz MPRPYXMGHDRKQI-WUHRBBMRSA-N 2 0 225.380 1.329 20 0 BDADRP CCC[C@@H](C(=O)NCC([NH3+])(CC)CC)[NH+](C)C ZINC000422880852 387758651 /nfs/dbraw/zinc/75/86/51/387758651.db2.gz PAFFUJXKLIHGRQ-NSHDSACASA-N 2 0 243.395 1.350 20 0 BDADRP CC(C)[NH2+]CCC[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000564074289 387819933 /nfs/dbraw/zinc/81/99/33/387819933.db2.gz RQDYPUSQSAGJBG-NWDGAFQWSA-N 2 0 214.353 1.532 20 0 BDADRP CC(C)[NH2+]CCC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000564074288 387820080 /nfs/dbraw/zinc/82/00/80/387820080.db2.gz RQDYPUSQSAGJBG-NEPJUHHUSA-N 2 0 214.353 1.532 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC1(O)CCCCC1 ZINC000422975358 387823315 /nfs/dbraw/zinc/82/33/15/387823315.db2.gz SOTMMBUGFAKNKZ-WDEREUQCSA-N 2 0 214.353 1.397 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000423004264 387825596 /nfs/dbraw/zinc/82/55/96/387825596.db2.gz JKGHPAVXUXXRDP-RQJABVFESA-N 2 0 240.391 1.787 20 0 BDADRP C[C@H]([NH2+]CC1(C2CC2)CCC1)C1C[NH2+]C1 ZINC000423006804 387829317 /nfs/dbraw/zinc/82/93/17/387829317.db2.gz WMEPWZIDZAZDLK-JTQLQIEISA-N 2 0 208.349 1.764 20 0 BDADRP CC[C@H](C[C@H](C)CO)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423007123 387829638 /nfs/dbraw/zinc/82/96/38/387829638.db2.gz PVGOYGPEICNXID-RVMXOQNASA-N 2 0 228.380 1.514 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]C[C@@H](CO)c1ccccc1 ZINC000423007344 387829745 /nfs/dbraw/zinc/82/97/45/387829745.db2.gz QKEGYXHMKDETCC-JSGCOSHPSA-N 2 0 236.359 1.480 20 0 BDADRP CC(C)c1nnc([C@@H](C)[NH2+][C@H](C)CCC[NH3+])[nH]1 ZINC000423009140 387831800 /nfs/dbraw/zinc/83/18/00/387831800.db2.gz CHPFACCDWYEZSM-NXEZZACHSA-N 2 0 239.367 1.706 20 0 BDADRP C([NH2+]C1CC[NH+](CC2CC2)CC1)C1COC1 ZINC000528029274 387832436 /nfs/dbraw/zinc/83/24/36/387832436.db2.gz XYUYCVBUPXMSSU-UHFFFAOYSA-N 2 0 224.348 1.097 20 0 BDADRP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])C1(C)C ZINC000423011609 387833679 /nfs/dbraw/zinc/83/36/79/387833679.db2.gz BCMUUNBWAJCBQQ-PZWNZHSQSA-N 2 0 228.380 1.761 20 0 BDADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1(CO)CC1 ZINC000643459235 387836153 /nfs/dbraw/zinc/83/61/53/387836153.db2.gz AOYXMERDMBDUFJ-JSGCOSHPSA-N 2 0 248.370 1.307 20 0 BDADRP CO[C@H]1CCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423013728 387836978 /nfs/dbraw/zinc/83/69/78/387836978.db2.gz GLSSKKNAPJYIFG-MWWBDVBNSA-N 2 0 238.375 1.674 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CC1([C@@H](C)CCO)CCC1 ZINC000423014798 387838027 /nfs/dbraw/zinc/83/80/27/387838027.db2.gz JKDUKDZAICHDNA-QWHCGFSZSA-N 2 0 242.407 1.892 20 0 BDADRP CO[C@@H]1CCC[C@@H]1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000423015152 387838710 /nfs/dbraw/zinc/83/87/10/387838710.db2.gz KAHQIOKSAFWXJA-FKZOYECMSA-N 2 0 240.391 1.909 20 0 BDADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000423014819 387838795 /nfs/dbraw/zinc/83/87/95/387838795.db2.gz JLODLCFVHFWWBW-WISYIIOYSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@@H](CO)CCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423014880 387838804 /nfs/dbraw/zinc/83/88/04/387838804.db2.gz PZQXYSRMPNJULF-WOPDTQHZSA-N 2 0 214.353 1.125 20 0 BDADRP CCc1cnccc1[C@H](C)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000423015417 387838863 /nfs/dbraw/zinc/83/88/63/387838863.db2.gz KTARGGJSOOCMIX-MNOVXSKESA-N 2 0 233.359 1.903 20 0 BDADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000423019599 387840448 /nfs/dbraw/zinc/84/04/48/387840448.db2.gz WHPYLOQYZPCPDV-RFQIPJPRSA-N 2 0 240.391 1.909 20 0 BDADRP Cc1cncc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000423018373 387841618 /nfs/dbraw/zinc/84/16/18/387841618.db2.gz YSPUZUUZZDGTPW-KGLIPLIRSA-N 2 0 233.359 1.997 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CC[C@H]1CCO[C@H](C)C1 ZINC000423031484 387846152 /nfs/dbraw/zinc/84/61/52/387846152.db2.gz LAGDMFMWCZJYJI-UPJWGTAASA-N 2 0 228.380 1.909 20 0 BDADRP [NH3+]C1CCC([NH2+][C@@H](CO)CC2CCCC2)CC1 ZINC000423030268 387846166 /nfs/dbraw/zinc/84/61/66/387846166.db2.gz VWOZXVZHTRUYDN-JXQTWKCFSA-N 2 0 240.391 1.787 20 0 BDADRP CC1=CCN(CC[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000423032178 387848388 /nfs/dbraw/zinc/84/83/88/387848388.db2.gz DZXWABZCQJUVST-KBPBESRZSA-N 2 0 237.391 1.226 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000423037974 387850495 /nfs/dbraw/zinc/85/04/95/387850495.db2.gz XGKMCGIFOZRQHL-GUBZILKMSA-N 2 0 225.311 1.997 20 0 BDADRP CC(C)OCCCC[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423036252 387851598 /nfs/dbraw/zinc/85/15/98/387851598.db2.gz SVHBYSDHGSQYBQ-RYUDHWBXSA-N 2 0 216.369 1.907 20 0 BDADRP CC(C)(C)[C@H](CCO)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423038196 387851840 /nfs/dbraw/zinc/85/18/40/387851840.db2.gz NXMZVTSYIKWLJB-HNGCFSAESA-N 2 0 240.391 1.656 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(CO)CCC1 ZINC000423038994 387852750 /nfs/dbraw/zinc/85/27/50/387852750.db2.gz ZOWPVBHBJRPPGV-RYUDHWBXSA-N 2 0 226.364 1.127 20 0 BDADRP C[C@@H]([NH2+]C[C@@H](O)CCc1ccccc1)C1C[NH2+]C1 ZINC000423038386 387852757 /nfs/dbraw/zinc/85/27/57/387852757.db2.gz YPMYQUNTEZFXKD-DOMZBBRYSA-N 2 0 248.370 1.178 20 0 BDADRP CC1=CCN(CC[NH2+][C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000423038784 387853013 /nfs/dbraw/zinc/85/30/13/387853013.db2.gz PBBBXXDNXYUSAK-KGLIPLIRSA-N 2 0 237.391 1.355 20 0 BDADRP C[N@H+]1C[C@@H]2C[NH+](CCC(C)(C)C)C[C@@H]2C1 ZINC000193607334 387858716 /nfs/dbraw/zinc/85/87/16/387858716.db2.gz PAHKCAOLUHODAT-TXEJJXNPSA-N 2 0 210.365 1.916 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])C(F)(F)F ZINC000423051896 387859165 /nfs/dbraw/zinc/85/91/65/387859165.db2.gz OOGKCFGRXOOMBW-CSMHCCOUSA-N 2 0 212.259 1.900 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(CO)CCCC1 ZINC000423051818 387859294 /nfs/dbraw/zinc/85/92/94/387859294.db2.gz OEBRJGXECZBKHZ-OLZOCXBDSA-N 2 0 240.391 1.517 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000423051013 387860610 /nfs/dbraw/zinc/86/06/10/387860610.db2.gz ZLNKGRILUBWWAU-FIQHERPVSA-N 2 0 214.353 1.659 20 0 BDADRP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643535300 387863083 /nfs/dbraw/zinc/86/30/83/387863083.db2.gz AVKKSDZZGWKPFP-GRYCIOLGSA-N 2 0 208.349 1.907 20 0 BDADRP C[NH+](C)C1(CN[C@H]2CCCCC[C@H]2[NH3+])CCC1 ZINC000423059074 387864139 /nfs/dbraw/zinc/86/41/39/387864139.db2.gz KZKYYYBPETXQRN-OLZOCXBDSA-N 2 0 239.407 1.720 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000423059908 387865579 /nfs/dbraw/zinc/86/55/79/387865579.db2.gz NCTLZTOIGYERGP-XQHKEYJVSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@H](N[C@H]1CC12CC[NH2+]CC2)[C@H]1CCCC[NH2+]1 ZINC000643535854 387865627 /nfs/dbraw/zinc/86/56/27/387865627.db2.gz JWDGDHCQNIULNB-XQQFMLRXSA-N 2 0 237.391 1.249 20 0 BDADRP C[C@@H](N[C@H]1CC12CC[NH2+]CC2)[C@@H]1CCCC[NH2+]1 ZINC000643535843 387865892 /nfs/dbraw/zinc/86/58/92/387865892.db2.gz JWDGDHCQNIULNB-AGIUHOORSA-N 2 0 237.391 1.249 20 0 BDADRP C[C@@H](N[C@@H]1CC12CC[NH2+]CC2)[C@@H]1CCCC[NH2+]1 ZINC000643535848 387866704 /nfs/dbraw/zinc/86/67/04/387866704.db2.gz JWDGDHCQNIULNB-FRRDWIJNSA-N 2 0 237.391 1.249 20 0 BDADRP CC(C)[C@@H](C[NH3+])C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000433129089 387867163 /nfs/dbraw/zinc/86/71/63/387867163.db2.gz YIMAOISMMMEXMT-ZWNOBZJWSA-N 2 0 249.358 1.876 20 0 BDADRP CC(C)[C@H](C[NH3+])C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000433129088 387867772 /nfs/dbraw/zinc/86/77/72/387867772.db2.gz YIMAOISMMMEXMT-MFKMUULPSA-N 2 0 249.358 1.876 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)[C@@H]1CCC[NH2+]1 ZINC000643536264 387867884 /nfs/dbraw/zinc/86/78/84/387867884.db2.gz PIHKCBDVOVWVFS-RWMBFGLXSA-N 3 0 237.391 1.249 20 0 BDADRP CCOC1CC(CC[NH2+][C@H]2CCC[C@H]2[NH3+])C1 ZINC000423064721 387868059 /nfs/dbraw/zinc/86/80/59/387868059.db2.gz AGASCKGRQFYOEF-TUUUFIMRSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@@H]([NH3+])[C@H]1COCC[C@H]1[NH2+][C@H]1CC[C@@H](C)C1 ZINC000423066582 387869472 /nfs/dbraw/zinc/86/94/72/387869472.db2.gz XHTWBXCQJCOSIP-UJPOAAIJSA-N 2 0 226.364 1.517 20 0 BDADRP CCC(O)(CC)CC[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000423065209 387870569 /nfs/dbraw/zinc/87/05/69/387870569.db2.gz BBPXBPYSDRJTRM-MNOVXSKESA-N 2 0 214.353 1.397 20 0 BDADRP CCOC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])C(C)C ZINC000423071151 387871664 /nfs/dbraw/zinc/87/16/64/387871664.db2.gz OCOVSXUUSMLGHR-TUAOUCFPSA-N 2 0 216.369 1.763 20 0 BDADRP CC(C)[C@@H](CN[C@@H](C)C1C[NH2+]C1)[NH+]1CCCC1 ZINC000422962326 387813962 /nfs/dbraw/zinc/81/39/62/387813962.db2.gz FINZNUBNNFXQMI-GXTWGEPZSA-N 2 0 239.407 1.304 20 0 BDADRP CC[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000422964890 387814454 /nfs/dbraw/zinc/81/44/54/387814454.db2.gz MYWUHQHYJYPNBQ-MJBXVCDLSA-N 2 0 239.407 1.591 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1CC[C@H](O)C1)[C@@H]1CCC[NH2+]1 ZINC000423069534 387872609 /nfs/dbraw/zinc/87/26/09/387872609.db2.gz LWHQLZDCOYSWGQ-VOAKCMCISA-N 2 0 226.364 1.268 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc(CO)cc1 ZINC000643478240 387815335 /nfs/dbraw/zinc/81/53/35/387815335.db2.gz KPPACLWDZOWIML-GJZGRUSLSA-N 2 0 248.370 1.438 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@H]1CCC[C@@H]1[NH3+] ZINC000422965649 387816264 /nfs/dbraw/zinc/81/62/64/387816264.db2.gz PDJYUDRMNCQGOD-RYUDHWBXSA-N 2 0 213.369 1.186 20 0 BDADRP C[C@H]([NH3+])CN1CC[NH+](CC2CCCCC2)CC1 ZINC000442661059 387817565 /nfs/dbraw/zinc/81/75/65/387817565.db2.gz FDGFEAQMLHLWDJ-ZDUSSCGKSA-N 2 0 239.407 1.532 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CCC1(F)CCC1 ZINC000423107003 387891129 /nfs/dbraw/zinc/89/11/29/387891129.db2.gz KFPOUJVJFHICFP-JTQLQIEISA-N 2 0 202.317 1.986 20 0 BDADRP CCCN1CCC[C@H]1C[NH2+][C@@H](C)CCC[NH3+] ZINC000423106988 387891586 /nfs/dbraw/zinc/89/15/86/387891586.db2.gz KDVQYQUJBDJCHI-STQMWFEESA-N 2 0 227.396 1.578 20 0 BDADRP C[C@H]([NH2+]CCC1C[C@@H](C)O[C@H](C)C1)C1C[NH2+]C1 ZINC000423116286 387898884 /nfs/dbraw/zinc/89/88/84/387898884.db2.gz PEYVNBKLFNGXAH-UTUOFQBUSA-N 2 0 240.391 1.778 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000423110132 387892705 /nfs/dbraw/zinc/89/27/05/387892705.db2.gz UOYLCEQCYVRMMD-NSHDSACASA-N 2 0 246.358 1.822 20 0 BDADRP C[C@@H]([NH2+]CCC1(F)CCC1)[C@H]1CCC[NH2+]1 ZINC000423110246 387893414 /nfs/dbraw/zinc/89/34/14/387893414.db2.gz PADNXBYNHDRIRP-GHMZBOCLSA-N 2 0 214.328 1.999 20 0 BDADRP CCC[N@@H+]1CCC[C@H]1CN[C@@H]1C[NH2+]CC[C@H]1C ZINC000423112236 387897013 /nfs/dbraw/zinc/89/70/13/387897013.db2.gz RUHTXIUUBSQILQ-HZSPNIEDSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H]([NH2+]CCC1CC(O)C1)[C@@H]1CCCC[NH2+]1 ZINC000423075871 387876961 /nfs/dbraw/zinc/87/69/61/387876961.db2.gz POOVNXKZWNCKFK-WTIISPKJSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000423083276 387877665 /nfs/dbraw/zinc/87/76/65/387877665.db2.gz FSPGTWMHTICAGB-AVGNSLFASA-N 2 0 241.423 1.822 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000423083195 387878565 /nfs/dbraw/zinc/87/85/65/387878565.db2.gz FMYJULMJNQJKGA-MJBXVCDLSA-N 2 0 241.423 1.694 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000423082957 387878582 /nfs/dbraw/zinc/87/85/82/387878582.db2.gz FXUSVUUCFTWQJM-NWDGAFQWSA-N 2 0 240.391 1.645 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000423082745 387878934 /nfs/dbraw/zinc/87/89/34/387878934.db2.gz XFXARMOWBRYURX-CYBMUJFWSA-N 3 0 241.423 1.825 20 0 BDADRP COC1CCC(C)(C[NH2+][C@@H]2CC[NH2+]C2)CC1 ZINC000423090259 387882349 /nfs/dbraw/zinc/88/23/49/387882349.db2.gz XAXPIZAGZPVZGM-PNESKVBLSA-N 2 0 226.364 1.533 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCCC[C@@H]1OC ZINC000423117602 387898591 /nfs/dbraw/zinc/89/85/91/387898591.db2.gz WERYAEGNGOPRDQ-AGIUHOORSA-N 2 0 244.379 1.288 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCOC1 ZINC000423119758 387900157 /nfs/dbraw/zinc/90/01/57/387900157.db2.gz DPFROPYQVJFBJI-TUAOUCFPSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@@H](F)C1)[C@H]1CCCC[NH2+]1 ZINC000423120088 387900162 /nfs/dbraw/zinc/90/01/62/387900162.db2.gz GEDONRQCRDQJGM-WHOHXGKFSA-N 2 0 214.328 1.997 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ncccc1N(C)C ZINC000423121546 387900309 /nfs/dbraw/zinc/90/03/09/387900309.db2.gz IURUNCCFWKWLKV-NSHDSACASA-N 2 0 236.363 1.365 20 0 BDADRP CC(C)[N@@H+](C)C[C@@H](C)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000423119455 387900569 /nfs/dbraw/zinc/90/05/69/387900569.db2.gz CKLIUTQPKVLITO-GRYCIOLGSA-N 2 0 215.385 1.431 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCC1(F)CCC1 ZINC000423123697 387902705 /nfs/dbraw/zinc/90/27/05/387902705.db2.gz LQJXPXDUDNZSKH-GHMZBOCLSA-N 2 0 214.328 1.986 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@@H](CO)CC2CCC2)CC1 ZINC000423124040 387903683 /nfs/dbraw/zinc/90/36/83/387903683.db2.gz FSMZCPDUQNZXJI-JXQTWKCFSA-N 2 0 240.391 1.645 20 0 BDADRP CCC[C@@H](C)C(=O)NCC[NH2+][C@H](C)CCC[NH3+] ZINC000423126901 387905593 /nfs/dbraw/zinc/90/55/93/387905593.db2.gz JGHGLPHZAISOTE-VXGBXAGGSA-N 2 0 243.395 1.256 20 0 BDADRP CCCC[N@H+](C)C[C@H](C)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000423130507 387907530 /nfs/dbraw/zinc/90/75/30/387907530.db2.gz YRSJHVGCJQBQLX-AGIUHOORSA-N 2 0 229.412 1.822 20 0 BDADRP [NH3+]C1CCC([NH2+]Cc2ccc3cc[nH]c3n2)CC1 ZINC000423129434 387908412 /nfs/dbraw/zinc/90/84/12/387908412.db2.gz XBABIDGQFMIPAP-UHFFFAOYSA-N 2 0 244.342 1.922 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C(=O)N[C@H](C[NH3+])C2CC2)cc1 ZINC000514668011 387909707 /nfs/dbraw/zinc/90/97/07/387909707.db2.gz RHZJSPINWIISGZ-NOZJJQNGSA-N 2 0 247.342 1.173 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H](C[NH3+])C2CC2)cc1 ZINC000514668012 387909934 /nfs/dbraw/zinc/90/99/34/387909934.db2.gz RHZJSPINWIISGZ-RNCFNFMXSA-N 2 0 247.342 1.173 20 0 BDADRP C[C@H](F)CC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000423131760 387910116 /nfs/dbraw/zinc/91/01/16/387910116.db2.gz ILXQYKAYUCXGMR-AXFHLTTASA-N 2 0 202.317 1.842 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])C(C)(C)O ZINC000423134940 387911170 /nfs/dbraw/zinc/91/11/70/387911170.db2.gz NAPADMYUFSNOOO-GUBZILKMSA-N 2 0 202.342 1.251 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)C1CC1 ZINC000423133447 387911865 /nfs/dbraw/zinc/91/18/65/387911865.db2.gz KMNCWPMVABKWOE-RAIGVLPGSA-N 2 0 226.364 1.389 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)N[C@@H](C)C[C@H](C)[NH3+] ZINC000423139460 387915441 /nfs/dbraw/zinc/91/54/41/387915441.db2.gz KTNVFEDCEVRGQQ-AVGNSLFASA-N 2 0 229.412 1.822 20 0 BDADRP COCC1(CC[NH2+][C@H]2CCC[C@@H]2[NH3+])CCC1 ZINC000423137813 387916549 /nfs/dbraw/zinc/91/65/49/387916549.db2.gz RTBQPXKTILDHCY-RYUDHWBXSA-N 2 0 226.364 1.663 20 0 BDADRP C[C@H](F)CC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423138927 387917179 /nfs/dbraw/zinc/91/71/79/387917179.db2.gz UKLJPHNWMRVWBD-GARJFASQSA-N 2 0 202.317 1.712 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCCCF ZINC000423142029 387917673 /nfs/dbraw/zinc/91/76/73/387917673.db2.gz SZCSARRRDRBECL-QWRGUYRKSA-N 2 0 202.317 1.986 20 0 BDADRP CC[C@@H]([NH2+][C@H](C)CC(C)(C)O)[C@@H]1CCC[NH2+]1 ZINC000423154409 387932908 /nfs/dbraw/zinc/93/29/08/387932908.db2.gz HPVQUAOKZWFQLJ-UTUOFQBUSA-N 2 0 228.380 1.656 20 0 BDADRP C[C@@H]([NH2+]CC1(CF)CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000423152840 387932960 /nfs/dbraw/zinc/93/29/60/387932960.db2.gz MQASBIQVBBOYEQ-NEPJUHHUSA-N 2 0 244.354 1.483 20 0 BDADRP CC(C)(O)C(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000423154815 387933723 /nfs/dbraw/zinc/93/37/23/387933723.db2.gz JYAUPMYJAFKQKF-VHSXEESVSA-N 2 0 214.353 1.253 20 0 BDADRP CC(C)(O)C(C)(C)C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000423154814 387934517 /nfs/dbraw/zinc/93/45/17/387934517.db2.gz JYAUPMYJAFKQKF-UWVGGRQHSA-N 2 0 214.353 1.253 20 0 BDADRP CC/C=C/C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423157326 387935937 /nfs/dbraw/zinc/93/59/37/387935937.db2.gz MORANAVIZTXPDF-FGCBAJGYSA-N 2 0 238.375 1.699 20 0 BDADRP Cc1ncsc1CC[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423148414 387924861 /nfs/dbraw/zinc/92/48/61/387924861.db2.gz FVQCVTYTCKXLNR-IUCAKERBSA-N 2 0 227.377 1.709 20 0 BDADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@H]2CCC[C@H]2[NH3+])CCO1 ZINC000423147342 387924991 /nfs/dbraw/zinc/92/49/91/387924991.db2.gz CJLBHDUSQUTZJD-MQYQWHSLSA-N 2 0 240.391 1.907 20 0 BDADRP Cc1ncsc1CC[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423148415 387925605 /nfs/dbraw/zinc/92/56/05/387925605.db2.gz FVQCVTYTCKXLNR-RKDXNWHRSA-N 2 0 227.377 1.709 20 0 BDADRP CC[C@H]([NH2+][C@H]1CC[C@@H](CO)C1)[C@H]1CCCC[NH2+]1 ZINC000423150108 387927531 /nfs/dbraw/zinc/92/75/31/387927531.db2.gz AXVAMKPXAACZGH-ZOBORPQBSA-N 2 0 240.391 1.658 20 0 BDADRP C[C@H]([C@H]1CC[NH2+]C1)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000423167115 387952330 /nfs/dbraw/zinc/95/23/30/387952330.db2.gz WMKSVEHKIYIEAZ-RDBSUJKOSA-N 2 0 238.375 1.487 20 0 BDADRP CC1(C)CCC[N@@H+]1CCN[C@H]1CCC[C@H]1[NH3+] ZINC000423168336 387952880 /nfs/dbraw/zinc/95/28/80/387952880.db2.gz UKWBBGMRVCDJME-NEPJUHHUSA-N 2 0 225.380 1.330 20 0 BDADRP C[C@@H]([NH2+]C[C@@H](C)CCCO)[C@@H]1CCC[NH2+]1 ZINC000423167053 387953187 /nfs/dbraw/zinc/95/31/87/387953187.db2.gz ZZHMEQGNZCZOEZ-TUAOUCFPSA-N 2 0 214.353 1.125 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)[C@H]1CCC[NH2+]1 ZINC000423170113 387954237 /nfs/dbraw/zinc/95/42/37/387954237.db2.gz XNLFBTMTUOWJDE-LPTSXCQYSA-N 2 0 208.349 1.763 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424223324 387939004 /nfs/dbraw/zinc/93/90/04/387939004.db2.gz LHMFUNXDPWIAKA-AWEZNQCLSA-N 2 0 249.358 1.910 20 0 BDADRP COc1cccnc1C[NH2+][C@H](C)CCCC[NH3+] ZINC000423159041 387939035 /nfs/dbraw/zinc/93/90/35/387939035.db2.gz FBIMOIIQZABEOH-LLVKDONJSA-N 2 0 237.347 1.697 20 0 BDADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)[C@H]1CCC[NH2+]1 ZINC000423160082 387940464 /nfs/dbraw/zinc/94/04/64/387940464.db2.gz GUSMCLZFDRIIEQ-GXTWGEPZSA-N 3 0 239.407 1.591 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])O1 ZINC000423160781 387941880 /nfs/dbraw/zinc/94/18/80/387941880.db2.gz HVONGXSCTFCEJM-FVCCEPFGSA-N 2 0 226.364 1.804 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)[C@@H](C)O1 ZINC000392234623 387942437 /nfs/dbraw/zinc/94/24/37/387942437.db2.gz DDEUKDUHCDJRCV-NQBHXWOUSA-N 2 0 224.348 1.404 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000423162089 387943293 /nfs/dbraw/zinc/94/32/93/387943293.db2.gz KHLBDTMVCWBFDD-WUHRBBMRSA-N 2 0 226.364 1.255 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC(C)(C)C(C)(C)O ZINC000423162304 387943613 /nfs/dbraw/zinc/94/36/13/387943613.db2.gz PAFCCNYHAZZDGV-ZJUUUORDSA-N 2 0 216.369 1.499 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCC[C@@H]1CCOC1 ZINC000423163655 387946109 /nfs/dbraw/zinc/94/61/09/387946109.db2.gz RFOATUAFLMFXKC-SDDRHHMPSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@H](NCC[N@@H+]1CCCC1(C)C)C1C[NH2+]C1 ZINC000423164944 387947391 /nfs/dbraw/zinc/94/73/91/387947391.db2.gz PBWCOYUMJNPIKR-NSHDSACASA-N 2 0 225.380 1.058 20 0 BDADRP COC[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245449876 387949518 /nfs/dbraw/zinc/94/95/18/387949518.db2.gz OCPOSKNVEZFTKM-KBPBESRZSA-N 2 0 240.391 1.829 20 0 BDADRP COCC[C@H](C)C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000423172455 387959812 /nfs/dbraw/zinc/95/98/12/387959812.db2.gz SYZYMNWRSYNGIA-XQQFMLRXSA-N 2 0 228.380 1.637 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@H](CO)C1)[C@H]1CCCC[NH2+]1 ZINC000423175235 387961946 /nfs/dbraw/zinc/96/19/46/387961946.db2.gz DMIXETXWUMXWIN-XDQVBPFNSA-N 2 0 240.391 1.658 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@H]1CCC[NH2+]C1 ZINC000423178651 387964378 /nfs/dbraw/zinc/96/43/78/387964378.db2.gz CIPPMMLKEVAPBU-FVCCEPFGSA-N 2 0 225.380 1.057 20 0 BDADRP C[N@@H+]1CC[C@H](N[C@@H]2CCC[NH2+]C2)[C@@H]2CCC[C@H]21 ZINC000423180477 387965585 /nfs/dbraw/zinc/96/55/85/387965585.db2.gz DYJPYWUVRHCKHM-ZOBORPQBSA-N 2 0 237.391 1.201 20 0 BDADRP [NH3+]CCC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000423179065 387965797 /nfs/dbraw/zinc/96/57/97/387965797.db2.gz CVRNERGYBQTSRH-AWEZNQCLSA-N 2 0 218.344 1.946 20 0 BDADRP CC[C@@H](C[N@@H+]1CCC[C@H]([NH+](C)C)CC1)OC ZINC000419316542 387967189 /nfs/dbraw/zinc/96/71/89/387967189.db2.gz XAYVMLLRISSJAA-STQMWFEESA-N 2 0 228.380 1.828 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]CC1([NH3+])CCCCC1 ZINC000423181318 387967481 /nfs/dbraw/zinc/96/74/81/387967481.db2.gz OTZNMYMLNNLEOK-GHMZBOCLSA-N 2 0 214.353 1.661 20 0 BDADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccco1 ZINC000423185330 387970351 /nfs/dbraw/zinc/97/03/51/387970351.db2.gz VDPNOXWZLHZRKG-GFCCVEGCSA-N 2 0 237.347 1.226 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000423170510 387956821 /nfs/dbraw/zinc/95/68/21/387956821.db2.gz MHUBNZMAIHLXKY-NSHDSACASA-N 3 0 232.331 1.551 20 0 BDADRP CC[NH+](CC)CCN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400498999 387979878 /nfs/dbraw/zinc/97/98/78/387979878.db2.gz ICQJSXWDJHIHQM-NWDGAFQWSA-N 2 0 213.369 1.058 20 0 BDADRP COc1cc2c(cc1F)CC[C@H]2[NH2+]CCC[NH3+] ZINC000423196384 387981842 /nfs/dbraw/zinc/98/18/42/387981842.db2.gz VCJWLVYXTLTEGF-GFCCVEGCSA-N 2 0 238.306 1.760 20 0 BDADRP C[C@H]1C[N@H+](CC[C@H]2CCC[NH+]2C)CCCO1 ZINC000245694979 387972998 /nfs/dbraw/zinc/97/29/98/387972998.db2.gz WSHGXOGVRNIDLX-QWHCGFSZSA-N 2 0 226.364 1.582 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1C[C@H](C)O[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423188861 387973368 /nfs/dbraw/zinc/97/33/68/387973368.db2.gz QRIQWRFYRWXHDV-NDKCEZKHSA-N 2 0 240.391 1.920 20 0 BDADRP CC[C@@H]([NH2+]CCC[NH3+])C1(C(=O)OC)CCC1 ZINC000423188309 387974171 /nfs/dbraw/zinc/97/41/71/387974171.db2.gz LNQRVTHJDPEBIV-SNVBAGLBSA-N 2 0 228.336 1.047 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H](C)O[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000423191361 387976553 /nfs/dbraw/zinc/97/65/53/387976553.db2.gz SRFCNEKEYDCIDB-KSSYENDESA-N 2 0 226.364 1.530 20 0 BDADRP COC[C@@H](CC(C)C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424362578 387990746 /nfs/dbraw/zinc/99/07/46/387990746.db2.gz AHOXXLLPBYZEDP-JHJVBQTASA-N 2 0 228.380 1.907 20 0 BDADRP C[NH2+]CCC[NH2+][C@H]1CCC[C@@H]1CCOC ZINC000423204564 387990790 /nfs/dbraw/zinc/99/07/90/387990790.db2.gz UTBBRTAPLYBEKE-NEPJUHHUSA-N 2 0 214.353 1.391 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H]1CCC[C@@H]1CCOC ZINC000423204567 387991796 /nfs/dbraw/zinc/99/17/96/387991796.db2.gz UTBBRTAPLYBEKE-VXGBXAGGSA-N 2 0 214.353 1.391 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)NCC1([NH3+])CCCCCC1 ZINC000423198366 387984035 /nfs/dbraw/zinc/98/40/35/387984035.db2.gz FNMSNCBTSIOOAL-NEPJUHHUSA-N 2 0 227.396 1.754 20 0 BDADRP C[C@@H]1C[C@H](NC[C@@H]2CCC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000423214329 387997692 /nfs/dbraw/zinc/99/76/92/387997692.db2.gz OQDYPNZMAIBJBW-UPJWGTAASA-N 2 0 237.391 1.201 20 0 BDADRP C[C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000420405395 388000168 /nfs/dbraw/zinc/00/01/68/388000168.db2.gz MTHYODRXRPYFTF-TZMCWYRMSA-N 3 0 239.407 1.293 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@]1(C)CCCO1 ZINC000246116390 388011193 /nfs/dbraw/zinc/01/11/93/388011193.db2.gz UADRXLOMCHJAKD-YIYPIFLZSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@H]([NH3+])CCN[C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423225879 388009665 /nfs/dbraw/zinc/00/96/65/388009665.db2.gz OPMMCSZEBOBWSW-OBJOEFQTSA-N 2 0 235.375 1.272 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])[C@@H](C)O1 ZINC000424373220 387996546 /nfs/dbraw/zinc/99/65/46/387996546.db2.gz JDMIODVQJYAAPN-LZQZFOIKSA-N 2 0 212.337 1.412 20 0 BDADRP Cc1ccnc([C@@H](C)[NH2+]CC[C@H](C)[NH3+])c1 ZINC000423228290 388012832 /nfs/dbraw/zinc/01/28/32/388012832.db2.gz YZLPMYNUXSNLKS-WDEREUQCSA-N 2 0 207.321 1.778 20 0 BDADRP C[NH2+]CCN[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000423228075 388014156 /nfs/dbraw/zinc/01/41/56/388014156.db2.gz YCCAZDZJTJOUQN-DZGCQCFKSA-N 2 0 247.386 1.458 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)[C@H]1CCCC[NH2+]1 ZINC000423238651 388022832 /nfs/dbraw/zinc/02/28/32/388022832.db2.gz AKEWJBHMQKWAEU-YNEHKIRRSA-N 3 0 225.380 1.106 20 0 BDADRP CC[C@@H](NC[C@H]([NH3+])c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423249310 388032233 /nfs/dbraw/zinc/03/22/33/388032233.db2.gz OPFZOBFNLSCNRV-ZNMIVQPWSA-N 2 0 247.386 1.807 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(F)cn1 ZINC000423254054 388034850 /nfs/dbraw/zinc/03/48/50/388034850.db2.gz WWZGUARRXDEGEE-WDEREUQCSA-N 2 0 237.322 1.871 20 0 BDADRP CC[C@H](CCO)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000156809252 388037507 /nfs/dbraw/zinc/03/75/07/388037507.db2.gz PAYBTDJZVBHDBA-GFCCVEGCSA-N 2 0 228.380 1.610 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000082645470 388039106 /nfs/dbraw/zinc/03/91/06/388039106.db2.gz ZKEQNRKDKINRNH-NEPJUHHUSA-N 2 0 219.332 1.641 20 0 BDADRP C[C@@H](Cc1ccoc1)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423247915 388029803 /nfs/dbraw/zinc/02/98/03/388029803.db2.gz MEIUMHOIPFGERX-NWDGAFQWSA-N 2 0 222.332 1.800 20 0 BDADRP CC[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423249987 388031206 /nfs/dbraw/zinc/03/12/06/388031206.db2.gz PSJAAYMBUCKVGE-XQQFMLRXSA-N 3 0 225.380 1.106 20 0 BDADRP CC[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccn(C)n1 ZINC000423249062 388031654 /nfs/dbraw/zinc/03/16/54/388031654.db2.gz OECHOEUGUAWHBO-VXGBXAGGSA-N 2 0 236.363 1.460 20 0 BDADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000423273365 388053731 /nfs/dbraw/zinc/05/37/31/388053731.db2.gz KLKBNLSEOJITEF-FDYHWXHSSA-N 2 0 240.391 1.763 20 0 BDADRP COC[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)C(C)C ZINC000423274188 388054404 /nfs/dbraw/zinc/05/44/04/388054404.db2.gz LNURKHDFWUUESR-WDEREUQCSA-N 2 0 202.342 1.230 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)c2nccn21 ZINC000423274938 388054582 /nfs/dbraw/zinc/05/45/82/388054582.db2.gz MPHPOEYBYXCOPW-FRRDWIJNSA-N 2 0 248.374 1.868 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000423275073 388055426 /nfs/dbraw/zinc/05/54/26/388055426.db2.gz MSSLCNKSIDISOX-ABXWRUBCSA-N 3 0 239.407 1.576 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])[C@H]1CCOC1 ZINC000423274438 388055554 /nfs/dbraw/zinc/05/55/54/388055554.db2.gz KMUFSTWRWLPBDQ-XDQVBPFNSA-N 2 0 240.391 1.909 20 0 BDADRP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H](C)C[NH2+]C ZINC000423281956 388063252 /nfs/dbraw/zinc/06/32/52/388063252.db2.gz VZVJINYIGPCMGU-NEPJUHHUSA-N 2 0 243.395 1.079 20 0 BDADRP CCC([NH3+])(CC)CN[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000423287491 388071346 /nfs/dbraw/zinc/07/13/46/388071346.db2.gz MPSZHEIWGAYNHG-YPMHNXCESA-N 2 0 239.407 1.576 20 0 BDADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cn[nH]c1 ZINC000453398693 388072706 /nfs/dbraw/zinc/07/27/06/388072706.db2.gz KTDFWLSGRRZBJG-NSHDSACASA-N 2 0 236.363 1.935 20 0 BDADRP C[N@@H+]1CC[C@H](NCC(C)(C)[NH3+])[C@@H]2CCC[C@@H]21 ZINC000423288326 388072889 /nfs/dbraw/zinc/07/28/89/388072889.db2.gz RSACQJYUWHLNON-SRVKXCTJSA-N 2 0 225.380 1.186 20 0 BDADRP CCC([NH3+])(CC)C[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000423288342 388072930 /nfs/dbraw/zinc/07/29/30/388072930.db2.gz RTPYHRZIJWVNPD-RYUDHWBXSA-N 2 0 228.380 1.909 20 0 BDADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC(C)(C)[NH3+])[C@@H]1C ZINC000423287719 388073115 /nfs/dbraw/zinc/07/31/15/388073115.db2.gz NZTVBTHPKOKROI-VWYCJHECSA-N 2 0 242.363 1.291 20 0 BDADRP CC(C)OCCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000084215799 388073857 /nfs/dbraw/zinc/07/38/57/388073857.db2.gz OFTVTCAOYWIPSP-STQMWFEESA-N 2 0 228.380 1.909 20 0 BDADRP CCC([NH3+])(CC)CN[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000423289949 388074173 /nfs/dbraw/zinc/07/41/73/388074173.db2.gz YOVSDXGOZKBTIF-VXGBXAGGSA-N 2 0 227.396 1.434 20 0 BDADRP CCC([NH3+])(CC)CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000423289313 388074707 /nfs/dbraw/zinc/07/47/07/388074707.db2.gz WSRQWNIIGYFKDW-YNEHKIRRSA-N 2 0 241.423 1.822 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@@H]2CCC[C@H]2O)CC1 ZINC000084231300 388074951 /nfs/dbraw/zinc/07/49/51/388074951.db2.gz LGPHVPSLOBDWMV-WCQYABFASA-N 2 0 226.364 1.221 20 0 BDADRP CCC([NH3+])(CC)CN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423290565 388075038 /nfs/dbraw/zinc/07/50/38/388075038.db2.gz DNUMWODLARAGHB-NEPJUHHUSA-N 2 0 227.396 1.624 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCc1ccncc1 ZINC000084219944 388075524 /nfs/dbraw/zinc/07/55/24/388075524.db2.gz UQTVXDPTYXYGTN-CHWSQXEVSA-N 2 0 219.332 1.341 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000423294609 388077113 /nfs/dbraw/zinc/07/71/13/388077113.db2.gz CIZYJGMKTUSDFA-YNEHKIRRSA-N 2 0 239.407 1.719 20 0 BDADRP CCC[NH2+]CC[NH2+][C@H]1CCOC[C@H]1C ZINC000423295499 388077198 /nfs/dbraw/zinc/07/71/98/388077198.db2.gz ASAQUIITJVPZEV-MNOVXSKESA-N 2 0 200.326 1.001 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000423294607 388077242 /nfs/dbraw/zinc/07/72/42/388077242.db2.gz CIZYJGMKTUSDFA-UPJWGTAASA-N 2 0 239.407 1.719 20 0 BDADRP CCC([NH3+])(CC)CN[C@@H](C)C[C@H](C)[NH3+] ZINC000423294321 388077567 /nfs/dbraw/zinc/07/75/67/388077567.db2.gz UAJXFWMZJOOSPA-UWVGGRQHSA-N 2 0 201.358 1.219 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000423297640 388080165 /nfs/dbraw/zinc/08/01/65/388080165.db2.gz LCNLVUUUYVVLGM-YRGRVCCFSA-N 2 0 239.407 1.576 20 0 BDADRP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000453430594 388081103 /nfs/dbraw/zinc/08/11/03/388081103.db2.gz RAIMPTGXIIWEFF-FRRDWIJNSA-N 2 0 240.391 1.731 20 0 BDADRP CCN1CCC[C@H]1C[NH2+]C1CCC([NH3+])CC1 ZINC000086724913 388107364 /nfs/dbraw/zinc/10/73/64/388107364.db2.gz MCQWBMONDWRPLU-BPCQOVAHSA-N 2 0 225.380 1.330 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CCCOCC1)C[NH+]1CCCC1 ZINC000086874593 388109227 /nfs/dbraw/zinc/10/92/27/388109227.db2.gz AWWTWSWUSLPNAS-ZIAGYGMSSA-N 2 0 240.391 1.877 20 0 BDADRP CCn1nccc1CNC[C@H]1CCC[N@H+](C)C1 ZINC000119151229 388111502 /nfs/dbraw/zinc/11/15/02/388111502.db2.gz UBFLXCUNDUDXKK-GFCCVEGCSA-N 2 0 236.363 1.334 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423267478 388045631 /nfs/dbraw/zinc/04/56/31/388045631.db2.gz FEULCHAPRATLNB-AGIUHOORSA-N 3 0 225.380 1.093 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+][C@H]1CCc2ccccc2OC1 ZINC000423270719 388049063 /nfs/dbraw/zinc/04/90/63/388049063.db2.gz IFVZBQACWNVPPJ-OCCSQVGLSA-N 2 0 248.370 1.825 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C[C@H]2CCCC[C@@H]2O)CC[N@@H+]1C ZINC000453338219 388050446 /nfs/dbraw/zinc/05/04/46/388050446.db2.gz FVDNQNUPZUIZCM-DGAVXFQQSA-N 2 0 240.391 1.610 20 0 BDADRP CC[NH+]1CCN([C@H](C)C[NH2+]C[C@@H]2C[C@H]2C)CC1 ZINC000488468694 388181461 /nfs/dbraw/zinc/18/14/61/388181461.db2.gz SMGQBFCMYKMWTM-MCIONIFRSA-N 2 0 239.407 1.258 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@H](C)CCO)[C@H](C)C1 ZINC000449359903 388181688 /nfs/dbraw/zinc/18/16/88/388181688.db2.gz RUSDXVGJACMTOD-MJBXVCDLSA-N 2 0 242.407 1.715 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000449076774 388139830 /nfs/dbraw/zinc/13/98/30/388139830.db2.gz HYIFKYCEDPGGGB-RWMBFGLXSA-N 2 0 244.379 1.110 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)NCC[N@H+](C)[C@H](C)CC ZINC000449112940 388144432 /nfs/dbraw/zinc/14/44/32/388144432.db2.gz DXLGBGDCSZVKCB-VXGBXAGGSA-N 2 0 243.395 1.221 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)NC(CC)(CC)C[NH3+] ZINC000449117424 388144905 /nfs/dbraw/zinc/14/49/05/388144905.db2.gz UMRBHFVYSSNTST-SNVBAGLBSA-N 2 0 229.368 1.008 20 0 BDADRP CC[NH2+][C@H](C)CNC(=O)[C@@H](CC(C)(C)C)[NH2+]C ZINC000449500851 388219791 /nfs/dbraw/zinc/21/97/91/388219791.db2.gz OJFPOTBYOZPSQG-GHMZBOCLSA-N 2 0 243.395 1.125 20 0 BDADRP CCC[NH2+][C@@H](C)C(=O)NC(C)(C)CCC[NH3+] ZINC000449552401 388230761 /nfs/dbraw/zinc/23/07/61/388230761.db2.gz JDRODAHRUIYZRG-JTQLQIEISA-N 2 0 229.368 1.008 20 0 BDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCC[NH3+] ZINC000449569335 388235020 /nfs/dbraw/zinc/23/50/20/388235020.db2.gz BEBNIGLPCXUSRY-NWDGAFQWSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CCC1(CO)CC1 ZINC000449579672 388237673 /nfs/dbraw/zinc/23/76/73/388237673.db2.gz IRBASXJKYVJZEP-DGCLKSJQSA-N 2 0 238.375 1.221 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(CC)COC2)[C@H](C)C1 ZINC000449596900 388239483 /nfs/dbraw/zinc/23/94/83/388239483.db2.gz CSEQOOGJLICHIH-OLZOCXBDSA-N 2 0 240.391 1.733 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000449617811 388244376 /nfs/dbraw/zinc/24/43/76/388244376.db2.gz ITLYJBQVYNUSDX-GFCCVEGCSA-N 2 0 233.315 1.097 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000449649048 388248331 /nfs/dbraw/zinc/24/83/31/388248331.db2.gz RLWCDRMTGAQQPF-SRVKXCTJSA-N 2 0 241.379 1.138 20 0 BDADRP CC[NH+](CC)CCCN1CCC[C@H](O)[C@H]1C ZINC000451452488 388275064 /nfs/dbraw/zinc/27/50/64/388275064.db2.gz GXTCGMLTWMYJAW-OLZOCXBDSA-N 2 0 228.380 1.564 20 0 BDADRP COc1ccc([C@@H](C)N[C@@H](C)C[NH3+])cc1OC ZINC000234883132 388362489 /nfs/dbraw/zinc/36/24/89/388362489.db2.gz YEDMMRUDZMSTSX-VHSXEESVSA-N 2 0 238.331 1.702 20 0 BDADRP C[C@@H](C[NH3+])NCc1cc(Br)cs1 ZINC000235137074 388365130 /nfs/dbraw/zinc/36/51/30/388365130.db2.gz SCBUZCANMJJVEG-LURJTMIESA-N 2 0 249.177 1.947 20 0 BDADRP C[C@@H](CN)[NH2+][C@@H](C)CCc1ccccc1 ZINC000235143445 388365744 /nfs/dbraw/zinc/36/57/44/388365744.db2.gz FCCJWOISZBUZSD-RYUDHWBXSA-N 2 0 206.333 1.945 20 0 BDADRP CCn1ccnc1CN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000163846312 388369135 /nfs/dbraw/zinc/36/91/35/388369135.db2.gz DURSEPHVFBWGNU-NWDGAFQWSA-N 2 0 236.363 1.320 20 0 BDADRP C[C@]1(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CCCS1 ZINC000327525471 388376905 /nfs/dbraw/zinc/37/69/05/388376905.db2.gz TYBHJMRVQKNIDG-IJLUTSLNSA-N 2 0 226.389 1.423 20 0 BDADRP CCC[N@@H+]1CCC[C@H]1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000572855500 388381783 /nfs/dbraw/zinc/38/17/83/388381783.db2.gz BJFOIOWIUKFJJS-MJBXVCDLSA-N 3 0 239.407 1.720 20 0 BDADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(C[NH3+])c1 ZINC000646578992 388388788 /nfs/dbraw/zinc/38/87/88/388388788.db2.gz MVWDSPPJISVZNJ-CABZTGNLSA-N 2 0 233.315 1.082 20 0 BDADRP C[NH2+]C[C@H](C)CNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000237124842 388389803 /nfs/dbraw/zinc/38/98/03/388389803.db2.gz UCGHNQIYDJVCKQ-AAEUAGOBSA-N 2 0 249.358 1.048 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000300861951 388399749 /nfs/dbraw/zinc/39/97/49/388399749.db2.gz PIUBPIKVNSPJER-QJPTWQEYSA-N 2 0 226.364 1.389 20 0 BDADRP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCC1 ZINC000315825887 388403177 /nfs/dbraw/zinc/40/31/77/388403177.db2.gz ZKZYZLBHTXXBIZ-HZSPNIEDSA-N 2 0 238.375 1.364 20 0 BDADRP C[C@@H]1CSC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322705332 388444009 /nfs/dbraw/zinc/44/40/09/388444009.db2.gz MUMGSSRYJHPZGV-XYTAGDGMSA-N 2 0 240.416 1.953 20 0 BDADRP C[N@H+]1CC=C(C[NH2+][C@H]2CC[NH+]3CCC[C@@H]3C2)CC1 ZINC000336345885 388457181 /nfs/dbraw/zinc/45/71/81/388457181.db2.gz HDHWVJXYTVQFAI-LSDHHAIUSA-N 3 0 249.402 1.465 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@H]1CCCCO1 ZINC000336687919 388462743 /nfs/dbraw/zinc/46/27/43/388462743.db2.gz NBGZBEPWCLTOPP-GHMZBOCLSA-N 2 0 200.326 1.273 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1O ZINC000309810786 388465830 /nfs/dbraw/zinc/46/58/30/388465830.db2.gz UCGPPOQGUKPOSP-NJMOYASZSA-N 2 0 226.364 1.218 20 0 BDADRP c1cc(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)sn1 ZINC000404510192 388421838 /nfs/dbraw/zinc/42/18/38/388421838.db2.gz QBCZHYVLGBUALO-MWLCHTKSSA-N 2 0 223.345 1.327 20 0 BDADRP CC1(C)OCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000336888320 388429740 /nfs/dbraw/zinc/42/97/40/388429740.db2.gz FFIIVFFWQNUEOZ-AGIUHOORSA-N 2 0 238.375 1.770 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCOCC1CCC1 ZINC000573197709 388430704 /nfs/dbraw/zinc/43/07/04/388430704.db2.gz VVOMZCCBXFRIMZ-OCCSQVGLSA-N 2 0 240.391 1.781 20 0 BDADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC[C@H]1CCOC1 ZINC000352539443 388537558 /nfs/dbraw/zinc/53/75/58/388537558.db2.gz ARQXCBPDXMYGQI-STQMWFEESA-N 2 0 226.364 1.616 20 0 BDADRP C[C@H](Cc1cnn(C)c1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000517177116 388540715 /nfs/dbraw/zinc/54/07/15/388540715.db2.gz WDDIIHURZIEMNI-WXHSDQCUSA-N 2 0 236.363 1.211 20 0 BDADRP c1cnc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000341879433 388496314 /nfs/dbraw/zinc/49/63/14/388496314.db2.gz UUGHODMPJPHRIA-OCCSQVGLSA-N 2 0 246.358 1.236 20 0 BDADRP C[C@H](CCO)CC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000397787272 388499093 /nfs/dbraw/zinc/49/90/93/388499093.db2.gz RDUAVVDWTREICH-XQQFMLRXSA-N 2 0 228.380 1.502 20 0 BDADRP C[NH+](CCOCC[N@@H+](C)C1CCC1)C1CCC1 ZINC000178723111 388504076 /nfs/dbraw/zinc/50/40/76/388504076.db2.gz OKGYQGUTWTWNKS-UHFFFAOYSA-N 2 0 240.391 1.972 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1NCC1([NH+](C)C)CC1 ZINC000397860846 388507041 /nfs/dbraw/zinc/50/70/41/388507041.db2.gz YEABWGIHOOOONL-NWDGAFQWSA-N 2 0 225.380 1.010 20 0 BDADRP Cc1c[nH+]ccc1NCC1([NH+](C)C)CC1 ZINC000397895834 388509751 /nfs/dbraw/zinc/50/97/51/388509751.db2.gz RWNKJCYSGROKBQ-UHFFFAOYSA-N 2 0 205.305 1.318 20 0 BDADRP C([NH2+]C(C1CC1)C1CC1)[C@H]1C[NH2+]CCCO1 ZINC000516643634 388512946 /nfs/dbraw/zinc/51/29/46/388512946.db2.gz QVGFJKSSYAGPLE-GFCCVEGCSA-N 2 0 224.348 1.143 20 0 BDADRP Cc1ccc(CCC[N@@H+]2CCC[C@@H](C[NH3+])C2)cn1 ZINC000517030086 388533447 /nfs/dbraw/zinc/53/34/47/388533447.db2.gz NBGAEDUZEIDJEV-HNNXBMFYSA-N 2 0 247.386 1.993 20 0 BDADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC[C@@H]1CCOC1 ZINC000352539441 388537014 /nfs/dbraw/zinc/53/70/14/388537014.db2.gz ARQXCBPDXMYGQI-OLZOCXBDSA-N 2 0 226.364 1.616 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@](C)(O)C1 ZINC000245570697 388590830 /nfs/dbraw/zinc/59/08/30/388590830.db2.gz GOHGRIBFTPUJTC-CHWSQXEVSA-N 2 0 226.364 1.318 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC(C)(C)CCCO ZINC000357839539 388553790 /nfs/dbraw/zinc/55/37/90/388553790.db2.gz HUKKCHGERCXPMP-STQMWFEESA-N 2 0 242.407 1.715 20 0 BDADRP CC[N@H+](CCN[C@@H]1CC[NH+](C)C[C@H]1C)C1CC1 ZINC000360930397 388559922 /nfs/dbraw/zinc/55/99/22/388559922.db2.gz LGBUDZLQQIVVFD-TZMCWYRMSA-N 2 0 239.407 1.401 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc[nH]c2)C1 ZINC000080773993 388561110 /nfs/dbraw/zinc/56/11/10/388561110.db2.gz LVUNADXCCSYKGH-LBPRGKRZSA-N 2 0 207.321 1.446 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](OC)C(C)C ZINC000362974776 388561905 /nfs/dbraw/zinc/56/19/05/388561905.db2.gz BVHWOMWBFCEFLP-VXGBXAGGSA-N 2 0 232.368 1.001 20 0 BDADRP CO[C@H](C[NH+]1CCC([NH3+])CC1)c1ccccc1 ZINC000379013898 388574320 /nfs/dbraw/zinc/57/43/20/388574320.db2.gz ADTYPJJKQVEELZ-CQSZACIVSA-N 2 0 234.343 1.797 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOC)[C@@H](C)C1 ZINC000245422676 388577647 /nfs/dbraw/zinc/57/76/47/388577647.db2.gz JAWICQBOHYXGHG-RYUDHWBXSA-N 2 0 214.353 1.295 20 0 BDADRP Cn1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c1 ZINC000085591141 388670602 /nfs/dbraw/zinc/67/06/02/388670602.db2.gz UOJCBXMWNKUPFS-GFCCVEGCSA-N 2 0 221.348 1.457 20 0 BDADRP CC[NH+](CC)CCCN(C)CC[N@H+](C)C1CC1 ZINC000191839728 388671660 /nfs/dbraw/zinc/67/16/60/388671660.db2.gz RMRIPSDGAWOTBW-UHFFFAOYSA-N 2 0 241.423 1.744 20 0 BDADRP CCC[N@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000192727505 388682858 /nfs/dbraw/zinc/68/28/58/388682858.db2.gz LFMRXPKFNNWSPY-UHFFFAOYSA-N 2 0 241.423 1.744 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1CO ZINC000521609705 388618748 /nfs/dbraw/zinc/61/87/48/388618748.db2.gz IJVXIFZYRBGXMP-BXUZGUMPSA-N 2 0 234.343 1.396 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@H](C)Cn1cccn1 ZINC000139060434 388624407 /nfs/dbraw/zinc/62/44/07/388624407.db2.gz FYYXIQVNTHLKKT-ZDUSSCGKSA-N 2 0 238.379 1.593 20 0 BDADRP [NH3+]CC1CCC([NH2+]CC[C@@H]2CCCOC2)CC1 ZINC000530210338 388627922 /nfs/dbraw/zinc/62/79/22/388627922.db2.gz JWTJOMIQRDMMDI-MOKVOYLWSA-N 2 0 240.391 1.910 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)C1C[NH2+]C1 ZINC000530210050 388628314 /nfs/dbraw/zinc/62/83/14/388628314.db2.gz KTAQMTQDZWSACZ-WHOHXGKFSA-N 2 0 208.349 1.620 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000530220020 388631808 /nfs/dbraw/zinc/63/18/08/388631808.db2.gz AYDQNHJYUZHNFU-ZNSCXOEOSA-N 2 0 214.353 1.514 20 0 BDADRP CC1(C)CC(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000530219015 388632015 /nfs/dbraw/zinc/63/20/15/388632015.db2.gz IMQRHQXIYVXWFQ-STQMWFEESA-N 2 0 222.376 1.964 20 0 BDADRP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000530222905 388633882 /nfs/dbraw/zinc/63/38/82/388633882.db2.gz IJOYYXJGFIUABG-LREJFELKSA-N 2 0 226.364 1.658 20 0 BDADRP COCCC1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000530223046 388634374 /nfs/dbraw/zinc/63/43/74/388634374.db2.gz LWTYDSMNBRJJNC-AWEZNQCLSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000530222907 388634504 /nfs/dbraw/zinc/63/45/04/388634504.db2.gz IJOYYXJGFIUABG-LSUSWQKBSA-N 2 0 226.364 1.658 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)N[C@H]1CC[NH2+]C12CCC2 ZINC000530242276 388638132 /nfs/dbraw/zinc/63/81/32/388638132.db2.gz BCAQBNRDSUXRLQ-UPJWGTAASA-N 2 0 237.391 1.391 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1CCOC1 ZINC000249987654 388735222 /nfs/dbraw/zinc/73/52/22/388735222.db2.gz NCRFDDAQEFVWAA-RYUDHWBXSA-N 2 0 212.337 1.097 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCOCC2)C1 ZINC000250576386 388737907 /nfs/dbraw/zinc/73/79/07/388737907.db2.gz FMGMMHGYZCMLLA-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCSC2)C1 ZINC000250557657 388738043 /nfs/dbraw/zinc/73/80/43/388738043.db2.gz BMWVBTQUBNVMLF-RYUDHWBXSA-N 2 0 228.405 1.813 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH2+]C[C@H]2CCCOC2)C1 ZINC000250661917 388738338 /nfs/dbraw/zinc/73/83/38/388738338.db2.gz YXXSRGBUYPEMEL-QWHCGFSZSA-N 2 0 226.364 1.344 20 0 BDADRP C[C@@H]1CCC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000251576137 388749604 /nfs/dbraw/zinc/74/96/04/388749604.db2.gz AWDCCQXHLOSCJY-SNPRPXQTSA-N 2 0 248.370 1.402 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000126210467 388692162 /nfs/dbraw/zinc/69/21/62/388692162.db2.gz VHYRCDYYMDUVDO-YPMHNXCESA-N 2 0 226.364 1.343 20 0 BDADRP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000248988739 388703844 /nfs/dbraw/zinc/70/38/44/388703844.db2.gz FMKXEJQQRWZMNJ-RFQIPJPRSA-N 2 0 238.375 1.770 20 0 BDADRP CCN(CCO)CC[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000248997461 388703881 /nfs/dbraw/zinc/70/38/81/388703881.db2.gz MJOWUNRTYHYMOW-KGLIPLIRSA-N 2 0 242.407 1.717 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](C)COC)[C@@H](C)C1 ZINC000249262594 388714012 /nfs/dbraw/zinc/71/40/12/388714012.db2.gz HYKGFRFUDOMDNN-IHRRRGAJSA-N 2 0 242.407 1.931 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@](C)(O)CC)C1 ZINC000249365723 388717791 /nfs/dbraw/zinc/71/77/91/388717791.db2.gz MJINACIOYSNHCZ-STQMWFEESA-N 2 0 228.380 1.421 20 0 BDADRP CC[C@H](O)CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000253025234 388797342 /nfs/dbraw/zinc/79/73/42/388797342.db2.gz MTXXITMGMXJCKE-AXFHLTTASA-N 2 0 200.326 1.007 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1cccnc1 ZINC000128929899 388804042 /nfs/dbraw/zinc/80/40/42/388804042.db2.gz UWNTXNVPEVMXSD-JSGCOSHPSA-N 2 0 233.359 1.554 20 0 BDADRP CSC[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252703290 388772248 /nfs/dbraw/zinc/77/22/48/388772248.db2.gz QIMFCPBUIWBUOP-TUAOUCFPSA-N 2 0 228.405 1.954 20 0 BDADRP CC[NH+](CC)CCN[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252715987 388774725 /nfs/dbraw/zinc/77/47/25/388774725.db2.gz XIETVBQAYCZECT-CHWSQXEVSA-N 2 0 227.396 1.258 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H](O)C(C)(C)C ZINC000252713996 388775351 /nfs/dbraw/zinc/77/53/51/388775351.db2.gz QTHJVLOOGNIUDR-UTUOFQBUSA-N 2 0 228.380 1.323 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000252760554 388781856 /nfs/dbraw/zinc/78/18/56/388781856.db2.gz MFIBJVDGBHCERW-MMWGEVLESA-N 2 0 200.326 1.005 20 0 BDADRP C[C@H]1C[C@H](NC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000093978069 388856566 /nfs/dbraw/zinc/85/65/66/388856566.db2.gz AHOYTSCOKMUKDO-WCQYABFASA-N 2 0 225.380 1.153 20 0 BDADRP C[C@H]1C[C@H](NCC[NH+]2CCCC2)CC[N@@H+]1C ZINC000129731817 388868372 /nfs/dbraw/zinc/86/83/72/388868372.db2.gz NWNMNMZTWHLIBD-QWHCGFSZSA-N 2 0 225.380 1.155 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)CCO1 ZINC000069890417 388870399 /nfs/dbraw/zinc/87/03/99/388870399.db2.gz NOVIOXLJPNQALI-FRRDWIJNSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1C[C@@H](NCCC[NH+]2CCCC2)CC[N@@H+]1C ZINC000129810711 388871550 /nfs/dbraw/zinc/87/15/50/388871550.db2.gz JJAIQDMKPHJXOE-KGLIPLIRSA-N 2 0 239.407 1.545 20 0 BDADRP Cc1nnc([C@H](C)[NH2+]CCc2ccncc2C)o1 ZINC000564911434 388898151 /nfs/dbraw/zinc/89/81/51/388898151.db2.gz HZUUPJHDQPRRDQ-JTQLQIEISA-N 2 0 246.314 1.975 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]C[C@H]2CCC[NH2+]C2)C1 ZINC000564971277 388904467 /nfs/dbraw/zinc/90/44/67/388904467.db2.gz UMWGVPBIDYGDCH-FRRDWIJNSA-N 3 0 225.380 1.093 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@]1(C)CO ZINC000565645189 388960334 /nfs/dbraw/zinc/96/03/34/388960334.db2.gz FGGYGFZPSDFYTD-VXGBXAGGSA-N 2 0 214.353 1.207 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](C)COC)C1 ZINC000153360744 388966694 /nfs/dbraw/zinc/96/66/94/388966694.db2.gz WYHFLRGKIWMARJ-VXGBXAGGSA-N 2 0 214.353 1.200 20 0 BDADRP CC[C@@H]([NH3+])CNC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000566009267 388982869 /nfs/dbraw/zinc/98/28/69/388982869.db2.gz KZSGNHCUXYOTBJ-BXKDBHETSA-N 2 0 235.331 1.173 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC(C)(C)CCC[NH3+] ZINC000566010712 388983340 /nfs/dbraw/zinc/98/33/40/388983340.db2.gz WEHRGDMZNZXGGQ-MNOVXSKESA-N 2 0 241.379 1.008 20 0 BDADRP C(C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)[C@H]1CCOC1 ZINC000334321212 533360386 /nfs/dbraw/zinc/36/03/86/533360386.db2.gz HTIRTGKIYJBANE-UONOGXRCSA-N 2 0 238.375 1.489 20 0 BDADRP C[C@@H](NCC1([NH+](C)C)CCCC1)[C@H]1CCC[NH2+]1 ZINC000400739576 533361097 /nfs/dbraw/zinc/36/10/97/533361097.db2.gz SLPXLJPEUMGUKV-CHWSQXEVSA-N 2 0 239.407 1.591 20 0 BDADRP C([NH2+]C[C@H]1CCC[NH2+]C1)C1CCOCC1 ZINC000087647232 533368006 /nfs/dbraw/zinc/36/80/06/533368006.db2.gz XDJDKMKUIGEZSA-LBPRGKRZSA-N 2 0 212.337 1.002 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000400339246 533422443 /nfs/dbraw/zinc/42/24/43/533422443.db2.gz HALLYZHLZKIIAN-LPWJVIDDSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000400339244 533423003 /nfs/dbraw/zinc/42/30/03/533423003.db2.gz HALLYZHLZKIIAN-FDYHWXHSSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)[C@@H]1CCCCO1 ZINC000400377115 533501979 /nfs/dbraw/zinc/50/19/79/533501979.db2.gz IYKRVJPYXIVNFM-RNJOBUHISA-N 2 0 226.364 1.532 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCOCC2)[C@H]1C ZINC000494919948 533645077 /nfs/dbraw/zinc/64/50/77/533645077.db2.gz FQCYHELFPNKOCV-HZSPNIEDSA-N 2 0 240.391 1.733 20 0 BDADRP CC[C@@H](CO)[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC000274931741 132204431 /nfs/dbraw/zinc/20/44/31/132204431.db2.gz QZQZBISAQFVBCS-ZDUSSCGKSA-N 2 0 249.358 1.283 20 0 BDADRP Cc1c[nH+]ccc1N1CCC[C@H](C[NH3+])C1 ZINC000070047566 132229852 /nfs/dbraw/zinc/22/98/52/132229852.db2.gz SYZXRDNTLFXCNI-LLVKDONJSA-N 2 0 205.305 1.565 20 0 BDADRP Cc1cc(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc[nH+]1 ZINC000336626364 132249156 /nfs/dbraw/zinc/24/91/56/132249156.db2.gz XBVVYVYSCAOOSS-NEPJUHHUSA-N 2 0 219.332 1.919 20 0 BDADRP Cc1cc(N2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)cc[nH+]1 ZINC000372336358 132285787 /nfs/dbraw/zinc/28/57/87/132285787.db2.gz GBCIYOREFSNJPQ-JSGCOSHPSA-N 2 0 231.343 1.920 20 0 BDADRP C1CC1[NH+]1CCC(N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000335496954 133866820 /nfs/dbraw/zinc/86/68/20/133866820.db2.gz VKGHMHIUOWTGJS-CYBMUJFWSA-N 2 0 237.391 1.345 20 0 BDADRP CC(C)[NH+]1CCC(N[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000335951364 134021842 /nfs/dbraw/zinc/02/18/42/134021842.db2.gz SFBMIWNZMOVQEQ-GXTWGEPZSA-N 2 0 239.407 1.399 20 0 BDADRP C[C@@H](F)CC[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000352006599 134034825 /nfs/dbraw/zinc/03/48/25/134034825.db2.gz URMYIQSBFYHANB-CHWSQXEVSA-N 2 0 244.354 1.389 20 0 BDADRP CCN1C[C@H](C)[C@H]([NH2+]C[C@H]2CCOC[C@H]2C)C1 ZINC000353042003 134159451 /nfs/dbraw/zinc/15/94/51/134159451.db2.gz ZHHVFDKSYXMYSU-REWJHTLYSA-N 2 0 240.391 1.589 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC1(CO)CCCC1 ZINC000168573298 134226717 /nfs/dbraw/zinc/22/67/17/134226717.db2.gz KUHWQPBHAIGDHY-NWDGAFQWSA-N 2 0 226.364 1.256 20 0 BDADRP Cc1nn(C)cc1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000168681248 134241764 /nfs/dbraw/zinc/24/17/64/134241764.db2.gz YFFBARRGKHVFLG-DGCLKSJQSA-N 2 0 236.363 1.336 20 0 BDADRP Cc1ccncc1CN1CCC[C@H]1C[NH3+] ZINC000168794331 134247690 /nfs/dbraw/zinc/24/76/90/134247690.db2.gz FQFKMDKMVPWNPK-LBPRGKRZSA-N 2 0 205.305 1.313 20 0 BDADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)C1CC1 ZINC000177302932 134299380 /nfs/dbraw/zinc/29/93/80/134299380.db2.gz JSQQLKNZPOZIKC-ZDUSSCGKSA-N 2 0 239.407 1.402 20 0 BDADRP CSCC[C@H](C)[N@H+](C)CC(C)(C)[NH3+] ZINC000220376991 134305862 /nfs/dbraw/zinc/30/58/62/134305862.db2.gz MEWOGGZDPRZGLL-VIFPVBQESA-N 2 0 204.383 1.797 20 0 BDADRP C[C@H](CC[NH3+])[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000220532019 134309774 /nfs/dbraw/zinc/30/97/74/134309774.db2.gz XHJVMNKEUFYHBZ-SECBINFHSA-N 2 0 218.304 1.390 20 0 BDADRP [NH3+]CCC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000220811819 134315931 /nfs/dbraw/zinc/31/59/31/134315931.db2.gz XHAAHSXDNIMRRK-UHFFFAOYSA-N 2 0 233.359 1.594 20 0 BDADRP C[C@H](CC[NH+](C)C)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000222910618 134335981 /nfs/dbraw/zinc/33/59/81/134335981.db2.gz YUMQSZFHNVZGQL-FRRDWIJNSA-N 2 0 227.396 1.399 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H]2CCSC2)C1 ZINC000224378984 134346283 /nfs/dbraw/zinc/34/62/83/134346283.db2.gz CVJAHRYAGMZDNM-RYUDHWBXSA-N 2 0 228.405 1.671 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@@H]1CCSC1 ZINC000224403596 134347028 /nfs/dbraw/zinc/34/70/28/134347028.db2.gz MEFSSKRRKUVNOU-QWRGUYRKSA-N 2 0 216.394 1.669 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+]C1CCC(O)CC1 ZINC000225817149 134355669 /nfs/dbraw/zinc/35/56/69/134355669.db2.gz ULGBXGLOUFZLEI-UNXYVOJBSA-N 2 0 214.353 1.220 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)N(CC)CCC[NH+](C)C ZINC000225871265 134355994 /nfs/dbraw/zinc/35/59/94/134355994.db2.gz NSIXRYRQNBQZQW-LBPRGKRZSA-N 2 0 243.395 1.304 20 0 BDADRP C[C@@H]1CCC[C@H]([NH2+]CCOCC[NH+](C)C)C1 ZINC000226745138 134370648 /nfs/dbraw/zinc/37/06/48/134370648.db2.gz DHBJZWXZOPLNFW-OLZOCXBDSA-N 2 0 228.380 1.733 20 0 BDADRP CC1CC[NH+](CCC[NH2+]CC2(C)COC2)CC1 ZINC000227518512 134382356 /nfs/dbraw/zinc/38/23/56/134382356.db2.gz UOCSVNJUSVEPSB-UHFFFAOYSA-N 2 0 240.391 1.735 20 0 BDADRP CC(C)COCC[NH+]1CCC(C[NH3+])CC1 ZINC000232654835 134555539 /nfs/dbraw/zinc/55/55/39/134555539.db2.gz JLLKTEOSSCYOAQ-UHFFFAOYSA-N 2 0 214.353 1.330 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000192604239 134587269 /nfs/dbraw/zinc/58/72/69/134587269.db2.gz JUWYQFPONZWPOL-MQYQWHSLSA-N 2 0 240.391 1.874 20 0 BDADRP CO[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000249055881 135030792 /nfs/dbraw/zinc/03/07/92/135030792.db2.gz YQAAZWZEBVJQNX-RKFYDKJMSA-N 2 0 238.375 1.769 20 0 BDADRP C(C[NH+]1CCCC1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250834358 135060190 /nfs/dbraw/zinc/06/01/90/135060190.db2.gz KJPGZQRINNWLQT-KGLIPLIRSA-N 2 0 237.391 1.299 20 0 BDADRP CC[C@H](CO)[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000251059033 135062020 /nfs/dbraw/zinc/06/20/20/135062020.db2.gz HNZZFHSYVRSVSB-YVECIDJPSA-N 2 0 226.364 1.268 20 0 BDADRP Cc1n[nH]cc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000086403342 135083551 /nfs/dbraw/zinc/08/35/51/135083551.db2.gz BSIIWIGZDGBCKL-QWRGUYRKSA-N 2 0 208.309 1.078 20 0 BDADRP C[C@H](c1cccs1)[N@H+](C)CCOCC[NH3+] ZINC000086435530 135084017 /nfs/dbraw/zinc/08/40/17/135084017.db2.gz LBMHSHKYVGIMMW-SNVBAGLBSA-N 2 0 228.361 1.716 20 0 BDADRP CCC[N@H+](CCOCC[NH3+])CC1CC1 ZINC000086435497 135084197 /nfs/dbraw/zinc/08/41/97/135084197.db2.gz IILXXAPXIBIPTK-UHFFFAOYSA-N 2 0 200.326 1.084 20 0 BDADRP CC1(C)CCC[N@H+](CCOCC[NH3+])C1 ZINC000086435817 135084616 /nfs/dbraw/zinc/08/46/16/135084616.db2.gz IBAUPGXPTLIKHW-UHFFFAOYSA-N 2 0 200.326 1.084 20 0 BDADRP C[N@H+](CCOCC[NH3+])Cc1ccccc1F ZINC000086435463 135084826 /nfs/dbraw/zinc/08/48/26/135084826.db2.gz IEDKYXHTQLAKFD-UHFFFAOYSA-N 2 0 226.295 1.233 20 0 BDADRP CCSCC[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252696684 135096788 /nfs/dbraw/zinc/09/67/88/135096788.db2.gz BUYKMHWTIYKDDE-NXEZZACHSA-N 2 0 202.367 1.409 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCO[C@H]2C)C1 ZINC000252689864 135097025 /nfs/dbraw/zinc/09/70/25/135097025.db2.gz SLDVMTLEWAVPDO-QJPTWQEYSA-N 2 0 212.337 1.095 20 0 BDADRP CC[C@H](CCO)[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000252709087 135098152 /nfs/dbraw/zinc/09/81/52/135098152.db2.gz BYFRJQGZPSPSDW-FDYHWXHSSA-N 2 0 228.380 1.466 20 0 BDADRP CC(C)OCC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252812032 135111811 /nfs/dbraw/zinc/11/18/11/135111811.db2.gz PLBBXHNVOYGOPQ-VXGBXAGGSA-N 2 0 214.353 1.341 20 0 BDADRP CCOCCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252856618 135114372 /nfs/dbraw/zinc/11/43/72/135114372.db2.gz KXTCLVAWAKZZGX-RWMBFGLXSA-N 2 0 226.364 1.472 20 0 BDADRP C[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C[C@H]1C ZINC000252980589 135118336 /nfs/dbraw/zinc/11/83/36/135118336.db2.gz NCWKGMQEBPJAIB-VXGBXAGGSA-N 2 0 210.365 1.964 20 0 BDADRP C[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C[C@H]1C ZINC000252980588 135118339 /nfs/dbraw/zinc/11/83/39/135118339.db2.gz NCWKGMQEBPJAIB-NWDGAFQWSA-N 2 0 210.365 1.964 20 0 BDADRP CC(C)[C@@H](O)C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000253033110 135119707 /nfs/dbraw/zinc/11/97/07/135119707.db2.gz UIPBSPNWBAOSOY-MCIONIFRSA-N 2 0 242.407 1.904 20 0 BDADRP C[N@H+](CCOCC[NH3+])C1CCC(C)(C)CC1 ZINC000087287469 135122234 /nfs/dbraw/zinc/12/22/34/135122234.db2.gz RDSUXUCKZSPXJR-UHFFFAOYSA-N 2 0 228.380 1.862 20 0 BDADRP C[C@H]1C[C@@H]1C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000253140406 135122253 /nfs/dbraw/zinc/12/22/53/135122253.db2.gz WNZASHWHQKJURP-ZDEQEGDKSA-N 2 0 210.365 1.997 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCC(C)(C)O ZINC000253165758 135123008 /nfs/dbraw/zinc/12/30/08/135123008.db2.gz ZLOVZKQVJMYLKU-GHMZBOCLSA-N 2 0 214.353 1.077 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2CCSC2)C1 ZINC000261528385 135153718 /nfs/dbraw/zinc/15/37/18/135153718.db2.gz LDITTWBDXHXOMJ-MXWKQRLJSA-N 2 0 214.378 1.599 20 0 BDADRP Cc1ncccc1CN1CC[C@@H]([NH3+])[C@H]1C ZINC000261529241 135154965 /nfs/dbraw/zinc/15/49/65/135154965.db2.gz AKZTZPOARFOYGF-ZYHUDNBSSA-N 2 0 205.305 1.312 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H]1CCCSC1 ZINC000261529452 135155468 /nfs/dbraw/zinc/15/54/68/135155468.db2.gz SGJATRYICFSJCS-GMTAPVOTSA-N 2 0 214.378 1.470 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@H]2CCSC2)C1 ZINC000261530137 135157104 /nfs/dbraw/zinc/15/71/04/135157104.db2.gz CBVLBBYWTZOBLK-TUAOUCFPSA-N 2 0 228.405 1.799 20 0 BDADRP CC[C@@H](C)[N@H+](C)CCN[C@H]1CCC[NH2+]CC1 ZINC000261533034 135163945 /nfs/dbraw/zinc/16/39/45/135163945.db2.gz GCQKIHNQGSZSPC-OLZOCXBDSA-N 2 0 227.396 1.448 20 0 BDADRP C[C@@]1(C[N@@H+]2CCCC3(CC3)C2)CC[NH2+]C1 ZINC000261532873 135163984 /nfs/dbraw/zinc/16/39/84/135163984.db2.gz ANZZJBGIUMWINI-GFCCVEGCSA-N 2 0 208.349 1.862 20 0 BDADRP CC(C)[C@H]1CCN(Cc2noc(CN)n2)C1 ZINC000261534241 135166852 /nfs/dbraw/zinc/16/68/52/135166852.db2.gz OVFLDAMNFGEPSW-VIFPVBQESA-N 2 0 224.308 1.006 20 0 BDADRP C1C[NH2+][C@H]([C@@H]2CCC[C@H]2[NH2+][C@@H]2CCOC2)C1 ZINC000087784576 135169472 /nfs/dbraw/zinc/16/94/72/135169472.db2.gz SHPHRNBJMHHZFP-MROQNXINSA-N 2 0 224.348 1.286 20 0 BDADRP CC(C)(C)[NH2+]CC[NH2+][C@H]1CCCOCC1 ZINC000261537073 135173264 /nfs/dbraw/zinc/17/32/64/135173264.db2.gz UTHHEDFQMYSJET-NSHDSACASA-N 2 0 214.353 1.533 20 0 BDADRP C[C@@H]1C[C@H](CN2CC[N@@H+]3CCC[C@H]3C2)CC[NH2+]1 ZINC000261540663 135179863 /nfs/dbraw/zinc/17/98/63/135179863.db2.gz GZPYEVHOCPTPKL-MCIONIFRSA-N 2 0 237.391 1.155 20 0 BDADRP C[C@H]1[C@@H]([NH3+])CCN1Cc1cccc(N)c1 ZINC000261540561 135180514 /nfs/dbraw/zinc/18/05/14/135180514.db2.gz FCRWUSUGJQEHPM-CABZTGNLSA-N 2 0 205.305 1.190 20 0 BDADRP C[C@H](CN[C@H]1CCCC[C@H]1C[NH3+])[N@H+](C)C1CC1 ZINC000261542531 135183289 /nfs/dbraw/zinc/18/32/89/135183289.db2.gz PHDPZPNPMHNUOS-DYEKYZERSA-N 3 0 239.407 1.576 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCOCC2CC2)C1 ZINC000261551041 135189980 /nfs/dbraw/zinc/18/99/80/135189980.db2.gz PZWIUMPATRHCCO-JQWIXIFHSA-N 2 0 212.337 1.082 20 0 BDADRP Cc1nccc(N[C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000084212750 135191848 /nfs/dbraw/zinc/19/18/48/135191848.db2.gz MNVFKNUKWKUXQP-ZJUUUORDSA-N 2 0 206.293 1.324 20 0 BDADRP Cc1cnn(CC[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000261556403 135196336 /nfs/dbraw/zinc/19/63/36/135196336.db2.gz QNZYYPSDVMVFGV-STQMWFEESA-N 2 0 236.363 1.108 20 0 BDADRP C[C@@H]1C[C@@H]1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000261561239 135203031 /nfs/dbraw/zinc/20/30/31/135203031.db2.gz ANEJQRARWDNMBO-RXGFPQBGSA-N 2 0 208.349 1.702 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@@H]1C[NH3+])c1cnn(C)c1 ZINC000261562851 135204419 /nfs/dbraw/zinc/20/44/19/135204419.db2.gz BRAJMQZPUUOJON-UMNHJUIQSA-N 2 0 222.336 1.198 20 0 BDADRP COC[C@@]1(C[NH2+]C2CCCCC2)CCC[NH2+]1 ZINC000261568177 135210800 /nfs/dbraw/zinc/21/08/00/135210800.db2.gz FKPKDCIXSYZMNC-ZDUSSCGKSA-N 2 0 226.364 1.677 20 0 BDADRP COC1CCC([NH2+]CCCC[NH+](C)C)CC1 ZINC000164253852 135217239 /nfs/dbraw/zinc/21/72/39/135217239.db2.gz KWSLKENANCZCIV-UHFFFAOYSA-N 2 0 228.380 1.875 20 0 BDADRP C[C@@H](c1ccccc1)[N@H+](C)CCOCC[NH3+] ZINC000261589056 135230059 /nfs/dbraw/zinc/23/00/59/135230059.db2.gz SWASEGDTZALRMG-LBPRGKRZSA-N 2 0 222.332 1.655 20 0 BDADRP C(C1CCOCC1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261591763 135232914 /nfs/dbraw/zinc/23/29/14/135232914.db2.gz VOURXFQZOGCXSH-STQMWFEESA-N 2 0 224.348 1.097 20 0 BDADRP C[C@H](O)C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261547805 135241110 /nfs/dbraw/zinc/24/11/10/135241110.db2.gz IOQJGLFXHJDNTG-MJBXVCDLSA-N 2 0 240.391 1.611 20 0 BDADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)[NH3+])CC(C)C ZINC000164408103 135243097 /nfs/dbraw/zinc/24/30/97/135243097.db2.gz AEMXVPOJXPEKDM-VXGBXAGGSA-N 2 0 243.395 1.206 20 0 BDADRP CCn1nc(C)c(CN2C[C@@H](C)[C@H]([NH3+])C2)c1C ZINC000261679656 135245117 /nfs/dbraw/zinc/24/51/17/135245117.db2.gz AGTNCMJOVKRDFV-NOZJJQNGSA-N 2 0 236.363 1.299 20 0 BDADRP CN(C[C@@]1(C)CC[NH2+]C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000261731074 135248167 /nfs/dbraw/zinc/24/81/67/135248167.db2.gz HECVDVHFVAHRKL-KGLIPLIRSA-N 2 0 237.391 1.155 20 0 BDADRP Cc1noc(C)c1C[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000261728454 135248431 /nfs/dbraw/zinc/24/84/31/135248431.db2.gz NZYUNJSRWRWYMM-CABZTGNLSA-N 2 0 237.347 1.769 20 0 BDADRP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1cccc(N)c1 ZINC000261740676 135249111 /nfs/dbraw/zinc/24/91/11/135249111.db2.gz UYSQVJFZDKDZRE-ZDUSSCGKSA-N 2 0 221.348 1.732 20 0 BDADRP CC(C)([NH3+])CN1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000261805575 135254524 /nfs/dbraw/zinc/25/45/24/135254524.db2.gz HHFRPOJTTLPIPF-WDEREUQCSA-N 2 0 228.380 1.453 20 0 BDADRP c1n[nH]cc1C1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261917289 135262747 /nfs/dbraw/zinc/26/27/47/135262747.db2.gz KAYBPXLROSDAIP-GFCCVEGCSA-N 2 0 248.374 1.589 20 0 BDADRP CCOC(=O)C[C@H](C)[N@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000261953966 135266509 /nfs/dbraw/zinc/26/65/09/135266509.db2.gz GKFAVNJUEIDVRW-AAEUAGOBSA-N 2 0 242.363 1.260 20 0 BDADRP COCC(C)(C)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261977799 135268807 /nfs/dbraw/zinc/26/88/07/135268807.db2.gz IWHIZNYCCSNPEM-UHFFFAOYSA-N 2 0 240.391 1.735 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000262289951 135290611 /nfs/dbraw/zinc/29/06/11/135290611.db2.gz VXBBHFHXIFRLMU-KGLIPLIRSA-N 2 0 238.375 1.487 20 0 BDADRP CC[NH2+][C@H](C)CNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000262321177 135293070 /nfs/dbraw/zinc/29/30/70/135293070.db2.gz CIVQKFNODMDIJH-YPMHNXCESA-N 2 0 249.358 1.191 20 0 BDADRP [NH3+][C@H](CNC(=O)C1([NH3+])CCCC1)c1ccccc1 ZINC000262404649 135295177 /nfs/dbraw/zinc/29/51/77/135295177.db2.gz ARXCVRXEZXDYAL-GFCCVEGCSA-N 2 0 247.342 1.074 20 0 BDADRP C[C@@H](CCC(C)(C)C)[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000342598965 135301160 /nfs/dbraw/zinc/30/11/60/135301160.db2.gz QRLYMCPNOPCIDD-JSGCOSHPSA-N 2 0 242.407 1.857 20 0 BDADRP [NH3+][C@H](CC(=O)NCC1([NH3+])CCC1)c1ccccc1 ZINC000342608249 135302685 /nfs/dbraw/zinc/30/26/85/135302685.db2.gz POOAWBGGFCHXKT-GFCCVEGCSA-N 2 0 247.342 1.074 20 0 BDADRP C[C@@](C[NH3+])(NC(=O)CCCCCC[NH3+])C1CC1 ZINC000262642725 135310344 /nfs/dbraw/zinc/31/03/44/135310344.db2.gz SRLOQGPTHWJMMR-ZDUSSCGKSA-N 2 0 241.379 1.139 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000262632094 135310507 /nfs/dbraw/zinc/31/05/07/135310507.db2.gz MXCPZDFVHKQOJQ-QWRGUYRKSA-N 2 0 241.379 1.138 20 0 BDADRP CCCC[C@@H]([NH3+])C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000342716754 135313740 /nfs/dbraw/zinc/31/37/40/135313740.db2.gz DRGSKJLDWWIFMA-DGCLKSJQSA-N 2 0 241.379 1.010 20 0 BDADRP c1ccc(SCC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000079618525 135341904 /nfs/dbraw/zinc/34/19/04/135341904.db2.gz NHVYVLQDKUXIHZ-BETUJISGSA-N 2 0 248.395 1.930 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)NCC1(C)CC[NH2+]CC1 ZINC000263308102 135346199 /nfs/dbraw/zinc/34/61/99/135346199.db2.gz OUOZOEHBJNMIBE-ZDUSSCGKSA-N 2 0 241.379 1.010 20 0 BDADRP COc1ccccc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000089147082 135531547 /nfs/dbraw/zinc/53/15/47/135531547.db2.gz WZQVDOMJXSLSIR-YPMHNXCESA-N 2 0 234.343 1.912 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000334955614 135849695 /nfs/dbraw/zinc/84/96/95/135849695.db2.gz NFIMQRIIMMDSHJ-GXFFZTMASA-N 2 0 247.342 1.472 20 0 BDADRP [NH3+][C@@H]1C[C@@H](NCC2([NH3+])CCC2)c2ccccc21 ZINC000335021058 135878872 /nfs/dbraw/zinc/87/88/72/135878872.db2.gz AHAOCIVFKAPIHF-CHWSQXEVSA-N 2 0 231.343 1.602 20 0 BDADRP C1C[C@H]([NH2+][C@@H]2CC[NH2+]C2)C2(C1)CCOCC2 ZINC000335023210 135879885 /nfs/dbraw/zinc/87/98/85/135879885.db2.gz PKWSCETUJGNNBY-NEPJUHHUSA-N 2 0 224.348 1.287 20 0 BDADRP CC(C)C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000335238100 135969666 /nfs/dbraw/zinc/96/96/66/135969666.db2.gz KWCATERVZVYMMO-KBPBESRZSA-N 2 0 240.391 1.861 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C2CCC(C[NH3+])CC2)CO1 ZINC000335384418 136088511 /nfs/dbraw/zinc/08/85/11/136088511.db2.gz FSHSZJSRPJKZBI-YYJSSNLHSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CC1C[NH2+]C1 ZINC000335553073 136098622 /nfs/dbraw/zinc/09/86/22/136098622.db2.gz SXTOPTZSZSLMHC-XPTSAGLGSA-N 2 0 234.318 1.868 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000335592640 136104083 /nfs/dbraw/zinc/10/40/83/136104083.db2.gz RNUZEACKQVYZAW-PHIMTYICSA-N 2 0 233.315 1.130 20 0 BDADRP C[C@H]1CCNC[C@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000335566773 136107814 /nfs/dbraw/zinc/10/78/14/136107814.db2.gz WCVHDCDOYHHVTC-QWHCGFSZSA-N 2 0 239.407 1.306 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000335568336 136108141 /nfs/dbraw/zinc/10/81/41/136108141.db2.gz KCCSQLSVAIEJQQ-CHWSQXEVSA-N 3 0 239.407 1.354 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+](C[C@@H]3CCCO3)C2)C1 ZINC000335569828 136109518 /nfs/dbraw/zinc/10/95/18/136109518.db2.gz ICJJXQLFWXAKCP-STQMWFEESA-N 2 0 224.348 1.193 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+](CCC3CC3)C2)C1 ZINC000335571551 136109655 /nfs/dbraw/zinc/10/96/55/136109655.db2.gz FZICLEWVXGDWKY-ZDUSSCGKSA-N 2 0 208.349 1.814 20 0 BDADRP [NH3+][C@H]1Cc2ccccc2N(CC[C@@H]2CC[NH2+]C2)C1 ZINC000335599183 136113769 /nfs/dbraw/zinc/11/37/69/136113769.db2.gz OMYFBOBZFBHLFW-JSGCOSHPSA-N 2 0 245.370 1.376 20 0 BDADRP CCC(CC)C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000422860800 397758071 /nfs/dbraw/zinc/75/80/71/397758071.db2.gz NCMSDKJTIZJJAM-RAIGVLPGSA-N 2 0 228.380 1.765 20 0 BDADRP C[C@H]1C[C@@H]1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000381604050 397762891 /nfs/dbraw/zinc/76/28/91/397762891.db2.gz PDEDGMRZRFXHEJ-WDEREUQCSA-N 2 0 208.349 1.859 20 0 BDADRP C[C@@]1(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)CC[NH2+]C1 ZINC000647514047 397771566 /nfs/dbraw/zinc/77/15/66/397771566.db2.gz DHNLECZQGVWBJP-GXTWGEPZSA-N 2 0 248.374 1.589 20 0 BDADRP c1cc([C@@H]2CCC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)n[nH]1 ZINC000647514035 397771910 /nfs/dbraw/zinc/77/19/10/397771910.db2.gz AYZWPHMQMHBVCX-CHWSQXEVSA-N 2 0 248.374 1.589 20 0 BDADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000647540364 397782586 /nfs/dbraw/zinc/78/25/86/397782586.db2.gz LJYJMHIFRPGGGZ-RNJOBUHISA-N 3 0 243.370 1.006 20 0 BDADRP CC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)OC ZINC000310419286 397883029 /nfs/dbraw/zinc/88/30/29/397883029.db2.gz NXGFSTFYWAASPE-ZOBORPQBSA-N 2 0 240.391 1.922 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@H]1CSC[C@@H]1C ZINC000449078311 397951443 /nfs/dbraw/zinc/95/14/43/397951443.db2.gz LVYSGETTXODVEH-RYUDHWBXSA-N 2 0 246.420 1.296 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc(C[NH3+])cc1 ZINC000193590538 397896768 /nfs/dbraw/zinc/89/67/68/397896768.db2.gz ROCKTUDGNJNOFU-GXFFZTMASA-N 2 0 247.342 1.016 20 0 BDADRP C[C@H](C[NH2+][C@H]1CCO[C@H]1C)C[NH+]1CCCC1 ZINC000120312301 397995988 /nfs/dbraw/zinc/99/59/88/397995988.db2.gz YLYPPTXFQGVXON-AGIUHOORSA-N 2 0 226.364 1.485 20 0 BDADRP C[NH2+][C@H](C)Cc1noc([C@@H]2CCC[NH2+]CC2)n1 ZINC000650227940 397997918 /nfs/dbraw/zinc/99/79/18/397997918.db2.gz PCUOMFGLRBJDBJ-NXEZZACHSA-N 2 0 238.335 1.077 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCC[C@H]1F)[C@@H]1CCC[NH2+]C1 ZINC000564823072 398045957 /nfs/dbraw/zinc/04/59/57/398045957.db2.gz PTBMRXCRDDZHCS-KKOKHZNYSA-N 2 0 214.328 1.855 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](O)[C@H]1C ZINC000650191031 397974669 /nfs/dbraw/zinc/97/46/69/397974669.db2.gz TWRUSPXVIWZCCO-VXGBXAGGSA-N 2 0 214.353 1.173 20 0 BDADRP C[C@H]1CC[C@@H](C[NH2+]CC2CC[NH2+]CC2)O1 ZINC000398196698 397981346 /nfs/dbraw/zinc/98/13/46/397981346.db2.gz ZOXZLNYIGGMNHG-JQWIXIFHSA-N 2 0 212.337 1.143 20 0 BDADRP CC[NH2+][C@H](C)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000638048395 398066831 /nfs/dbraw/zinc/06/68/31/398066831.db2.gz OMGLVMRHOVHORG-GFCCVEGCSA-N 2 0 243.395 1.219 20 0 BDADRP C[NH+]1CCC(O)(C[NH2+]C[C@@H]2CC=CCC2)CC1 ZINC000344546896 398081399 /nfs/dbraw/zinc/08/13/99/398081399.db2.gz IAFFXXOSMZFQHX-CYBMUJFWSA-N 2 0 238.375 1.389 20 0 BDADRP CC[N@H+](CC[C@H]1CCC[NH+]1C)[C@H]1CCCOC1 ZINC000649755865 398087500 /nfs/dbraw/zinc/08/75/00/398087500.db2.gz ZTPSSDOQJDDDEZ-KGLIPLIRSA-N 2 0 240.391 1.972 20 0 BDADRP CS[C@H](C)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090725065 398111550 /nfs/dbraw/zinc/11/15/50/398111550.db2.gz NMKKRVILNCXHMV-IJLUTSLNSA-N 2 0 228.405 1.954 20 0 BDADRP COCC(C)(C)C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414948257 398121811 /nfs/dbraw/zinc/12/18/11/398121811.db2.gz LYHVJAXHLXMOIQ-MNOVXSKESA-N 2 0 214.353 1.389 20 0 BDADRP CC(C)[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000336468293 167095669 /nfs/dbraw/zinc/09/56/69/167095669.db2.gz PBUAVJSMHSELOY-QWHCGFSZSA-N 2 0 226.364 1.362 20 0 BDADRP C[N@@H+]1CCCC12CCN([C@@H]1CCCOC1)CC2 ZINC000680076720 487529503 /nfs/dbraw/zinc/52/95/03/487529503.db2.gz XBBAMNUJUCIFRT-CYBMUJFWSA-N 2 0 238.375 1.726 20 0 BDADRP CC(C)OC1CC([NH2+]CCCC[NH+](C)C)C1 ZINC000336745043 167176203 /nfs/dbraw/zinc/17/62/03/167176203.db2.gz QMBFGBAHCQEROD-UHFFFAOYSA-N 2 0 228.380 1.874 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000334848775 487573614 /nfs/dbraw/zinc/57/36/14/487573614.db2.gz SFOYYGKWOBLZQC-MVKMKZAISA-N 3 0 225.380 1.363 20 0 BDADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)nc1 ZINC000334846189 487574082 /nfs/dbraw/zinc/57/40/82/487574082.db2.gz MXEOCUFMGBVXOO-NWDGAFQWSA-N 2 0 219.332 1.750 20 0 BDADRP C[C@@H]1CN(CCC[NH3+])c2ccccc2C[NH2+]1 ZINC000334882585 487579784 /nfs/dbraw/zinc/57/97/84/487579784.db2.gz PRZVNKCHKNLCEL-LLVKDONJSA-N 2 0 219.332 1.334 20 0 BDADRP COCC[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000532291115 487602033 /nfs/dbraw/zinc/60/20/33/487602033.db2.gz HYHXUJUGUIIRMQ-UONOGXRCSA-N 2 0 240.391 1.829 20 0 BDADRP Cc1ccncc1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000162657104 487607911 /nfs/dbraw/zinc/60/79/11/487607911.db2.gz YGJNSJNUMYWQSO-OCCSQVGLSA-N 2 0 233.359 1.997 20 0 BDADRP C1=CCC(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000662267422 409570646 /nfs/dbraw/zinc/57/06/46/409570646.db2.gz VFGLXLDOITXOPN-ZDUSSCGKSA-N 2 0 206.333 1.638 20 0 BDADRP Cc1cc(CN[C@@](C)(C[NH3+])C2CC2)ncn1 ZINC000662246646 409544454 /nfs/dbraw/zinc/54/44/54/409544454.db2.gz ABYOYXOMHFLCAJ-LBPRGKRZSA-N 2 0 220.320 1.002 20 0 BDADRP CC[N@H+](CC1CC1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662254721 409551197 /nfs/dbraw/zinc/55/11/97/409551197.db2.gz KCNGUUUKCPSGES-LBPRGKRZSA-N 2 0 224.348 1.239 20 0 BDADRP C([C@@H]1CCC2(C[NH2+]C2)O1)[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000662255355 409553433 /nfs/dbraw/zinc/55/34/33/409553433.db2.gz OSMFCFXVUMGXMX-UPJWGTAASA-N 2 0 236.359 1.239 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294139 409624870 /nfs/dbraw/zinc/62/48/70/409624870.db2.gz PJUSTDWZXSSFKW-CQSZACIVSA-N 2 0 239.407 1.308 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294136 409624907 /nfs/dbraw/zinc/62/49/07/409624907.db2.gz PJUSTDWZXSSFKW-AWEZNQCLSA-N 2 0 239.407 1.308 20 0 BDADRP C[N@H+](CC[C@@H]1CCc2ccccc21)C[C@@H](O)C[NH3+] ZINC000662276525 409589008 /nfs/dbraw/zinc/58/90/08/409589008.db2.gz JTKPAWSVUGXLLS-KBPBESRZSA-N 2 0 248.370 1.358 20 0 BDADRP C[NH2+]Cc1ccccc1CNC(=O)[C@H]([NH3+])C(C)C ZINC000653211291 410165067 /nfs/dbraw/zinc/16/50/67/410165067.db2.gz SMEFGUAROBRGAA-CYBMUJFWSA-N 2 0 249.358 1.006 20 0 BDADRP C[NH2+]Cc1ccccc1CNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000653213991 410165913 /nfs/dbraw/zinc/16/59/13/410165913.db2.gz BKMFCPXEQXQTER-QWRGUYRKSA-N 2 0 249.358 1.006 20 0 BDADRP C[C@H]([NH3+])CCC(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000653239500 410181520 /nfs/dbraw/zinc/18/15/20/410181520.db2.gz ARMQZBAWEJNVQJ-SRVKXCTJSA-N 2 0 241.379 1.090 20 0 BDADRP C[C@H]([NH3+])CCC(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000653239498 410181885 /nfs/dbraw/zinc/18/18/85/410181885.db2.gz ARMQZBAWEJNVQJ-GRYCIOLGSA-N 2 0 241.379 1.090 20 0 BDADRP COC1CCC([NH2+]CC[C@@H]([NH3+])C(C)C)CC1 ZINC000663502622 410277892 /nfs/dbraw/zinc/27/78/92/410277892.db2.gz JBKGMCQQSRMROX-WXRRBKDZSA-N 2 0 228.380 1.907 20 0 BDADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000650706317 410337682 /nfs/dbraw/zinc/33/76/82/410337682.db2.gz IPZKWXJLCSRWPA-MJBXVCDLSA-N 2 0 238.375 1.615 20 0 BDADRP CCCn1cc(C[NH2+]CCC2(C[NH3+])CC2)cn1 ZINC000650712675 410341390 /nfs/dbraw/zinc/34/13/90/410341390.db2.gz OURGRLQKBJBDLM-UHFFFAOYSA-N 2 0 236.363 1.512 20 0 BDADRP [NH3+]CC1(CC[NH2+][C@H]2CCCSC2)CC1 ZINC000650713228 410344111 /nfs/dbraw/zinc/34/41/11/410344111.db2.gz LDLXSEJFRKTKLU-JTQLQIEISA-N 2 0 214.378 1.601 20 0 BDADRP [NH3+]CC1(CC[NH2+]C2CCSCC2)CC1 ZINC000650713534 410344385 /nfs/dbraw/zinc/34/43/85/410344385.db2.gz VWIJOYKHYYZPIW-UHFFFAOYSA-N 2 0 214.378 1.601 20 0 BDADRP Cc1ccc(O)c(C[NH2+]CCC2(C[NH3+])CC2)n1 ZINC000650712692 410345677 /nfs/dbraw/zinc/34/56/77/410345677.db2.gz PYHQKFQJIFZEOD-UHFFFAOYSA-N 2 0 235.331 1.314 20 0 BDADRP [NH3+]C1CCC([NH2+][C@H]2CNc3ccccc3C2)CC1 ZINC000650714921 410347217 /nfs/dbraw/zinc/34/72/17/410347217.db2.gz HOTWISBNYYQKIK-JXQTWKCFSA-N 2 0 245.370 1.883 20 0 BDADRP [NH3+]Cc1ccc(CN[C@@H]2CCC[NH2+]C2)c(F)c1 ZINC000650716521 410353516 /nfs/dbraw/zinc/35/35/16/410353516.db2.gz BCVZILJKVUSSQV-GFCCVEGCSA-N 2 0 237.322 1.126 20 0 BDADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1cnn(C)c1 ZINC000650763976 410415164 /nfs/dbraw/zinc/41/51/64/410415164.db2.gz NFRQAHJQTARALR-NSHDSACASA-N 2 0 236.363 1.460 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCO[C@@H]1C ZINC000650719468 410358393 /nfs/dbraw/zinc/35/83/93/410358393.db2.gz RCAYVAWJYSVVSB-BXUZGUMPSA-N 2 0 234.343 1.673 20 0 BDADRP C[NH2+]Cc1ccccc1CNCC(C)(C)[NH3+] ZINC000650719696 410358762 /nfs/dbraw/zinc/35/87/62/410358762.db2.gz ZNQCWLPUNJMXFW-UHFFFAOYSA-N 2 0 221.348 1.233 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000650742957 410377052 /nfs/dbraw/zinc/37/70/52/410377052.db2.gz JADGOAOMJBMBCS-ZIQFBCGOSA-N 2 0 210.321 1.023 20 0 BDADRP COC[C@H]([NH2+]CCC1(C[NH3+])CC1)C1CC1 ZINC000650743847 410380312 /nfs/dbraw/zinc/38/03/12/410380312.db2.gz AKUBNMXLSPGBFO-NSHDSACASA-N 2 0 212.337 1.130 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CNc2ccccc2C1 ZINC000650747462 410387110 /nfs/dbraw/zinc/38/71/10/410387110.db2.gz AKGHBJDWZDZHAG-GMXVVIOVSA-N 2 0 233.359 1.739 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650753678 410397565 /nfs/dbraw/zinc/39/75/65/410397565.db2.gz SRNYWFOGZDQIEU-NXEZZACHSA-N 2 0 240.322 1.797 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000650758474 410404199 /nfs/dbraw/zinc/40/41/99/410404199.db2.gz QKNPXZOMERFFPL-WFASDCNBSA-N 2 0 247.386 1.446 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000650758473 410405342 /nfs/dbraw/zinc/40/53/42/410405342.db2.gz QKNPXZOMERFFPL-SWLSCSKDSA-N 2 0 247.386 1.446 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)COCC1CC1 ZINC000650760677 410407229 /nfs/dbraw/zinc/40/72/29/410407229.db2.gz JYMNGFLCYGTJSO-RYUDHWBXSA-N 2 0 228.380 1.909 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650761551 410410337 /nfs/dbraw/zinc/41/03/37/410410337.db2.gz CCTNHXWCBYNPSN-KBPBESRZSA-N 3 0 239.407 1.626 20 0 BDADRP C(CC1CC[NH2+]CC1)[NH2+][C@H]1CCCOCC1 ZINC000650763269 410412135 /nfs/dbraw/zinc/41/21/35/410412135.db2.gz WGISDFFWBVCOOZ-ZDUSSCGKSA-N 2 0 226.364 1.535 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+]CCC2CC[NH2+]CC2)C1 ZINC000650762315 410412176 /nfs/dbraw/zinc/41/21/76/410412176.db2.gz ZWEDHPGSCZJHCJ-KGLIPLIRSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCC2CC[NH2+]CC2)CCO1 ZINC000650762687 410412293 /nfs/dbraw/zinc/41/22/93/410412293.db2.gz HUBCAIBPEXXWRB-YPMHNXCESA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H](CCCCO)[NH2+]CCC1CC[NH2+]CC1 ZINC000650763102 410412430 /nfs/dbraw/zinc/41/24/30/410412430.db2.gz RBVCEMWFXZGUFY-LBPRGKRZSA-N 2 0 228.380 1.517 20 0 BDADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)C1CCOCC1 ZINC000650764202 410414505 /nfs/dbraw/zinc/41/45/05/410414505.db2.gz SLRBKGRLMANGHP-GFCCVEGCSA-N 2 0 240.391 1.781 20 0 BDADRP COCCC[C@@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC000665249713 410731485 /nfs/dbraw/zinc/73/14/85/410731485.db2.gz XLESRPJAPBDTLQ-LLVKDONJSA-N 2 0 214.353 1.663 20 0 BDADRP CC(C)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000201476129 487618524 /nfs/dbraw/zinc/61/85/24/487618524.db2.gz WFIUGTBWOHQMIH-ZDUSSCGKSA-N 2 0 226.364 1.173 20 0 BDADRP COCC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000309296635 410745849 /nfs/dbraw/zinc/74/58/49/410745849.db2.gz XFFIJJGJVUZHIY-AVGNSLFASA-N 2 0 226.364 1.472 20 0 BDADRP CC[C@H]([NH2+]CC[C@@H]([NH3+])C(C)C)[C@@H]1CCOC1 ZINC000665280820 410756678 /nfs/dbraw/zinc/75/66/78/410756678.db2.gz MJCFIGWPKDYYPJ-UPJWGTAASA-N 2 0 228.380 1.765 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000665282384 410760150 /nfs/dbraw/zinc/76/01/50/410760150.db2.gz WTDJSUXIZRFQSW-UTUOFQBUSA-N 2 0 214.353 1.517 20 0 BDADRP CC[NH+](CC)CCCN1CC[NH2+][C@H](C)C1 ZINC000083347609 169773175 /nfs/dbraw/zinc/77/31/75/169773175.db2.gz VOSSWQDOZSYEFG-GFCCVEGCSA-N 2 0 213.369 1.012 20 0 BDADRP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000665298508 410831025 /nfs/dbraw/zinc/83/10/25/410831025.db2.gz XFHIFRKFGIDESH-REWJHTLYSA-N 2 0 240.391 1.779 20 0 BDADRP CC(C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000119268349 167094155 /nfs/dbraw/zinc/09/41/55/167094155.db2.gz CIISFTSCLFYBLJ-ZIAGYGMSSA-N 2 0 240.391 1.752 20 0 BDADRP CC(C)OCCC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360566902 167216086 /nfs/dbraw/zinc/21/60/86/167216086.db2.gz BNWRVRDTIHVREJ-CYBMUJFWSA-N 2 0 226.364 1.487 20 0 BDADRP CC(C)OCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367604033 167230119 /nfs/dbraw/zinc/23/01/19/167230119.db2.gz QSMJIPLHWYPHOZ-PBWFPOADSA-N 2 0 240.391 1.968 20 0 BDADRP CC(C)OCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000336681510 167232168 /nfs/dbraw/zinc/23/21/68/167232168.db2.gz QRHOUJUKEFCPCF-UHFFFAOYSA-N 2 0 228.380 1.685 20 0 BDADRP CC(C)OCC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000336657368 167236120 /nfs/dbraw/zinc/23/61/20/167236120.db2.gz IHMOZBQXFCZGEV-ZDUSSCGKSA-N 2 0 226.364 1.439 20 0 BDADRP CC(C)OCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000160036457 167243936 /nfs/dbraw/zinc/24/39/36/167243936.db2.gz QDYZAWZNAVAKBX-MJBXVCDLSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H](CCCCO)[NH2+]CCC[NH2+]C1CC1 ZINC000398480000 410967558 /nfs/dbraw/zinc/96/75/58/410967558.db2.gz LMPOYKBJRCGHBA-NSHDSACASA-N 2 0 214.353 1.269 20 0 BDADRP Cc1cccc(CC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000399959706 411071886 /nfs/dbraw/zinc/07/18/86/411071886.db2.gz YTEFJKVWHVBWDZ-STQMWFEESA-N 2 0 231.343 1.084 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@@H](CO)CCF)CC1 ZINC000652020117 411021009 /nfs/dbraw/zinc/02/10/09/411021009.db2.gz LCKSSVDRKFIJJS-GFCCVEGCSA-N 2 0 232.343 1.169 20 0 BDADRP CCN(CC)C[C@@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000309322483 411029493 /nfs/dbraw/zinc/02/94/93/411029493.db2.gz HFDRYQUOZOGSAF-CHWSQXEVSA-N 2 0 229.412 1.824 20 0 BDADRP C[N@H+](CCOCC[NH3+])CCC(C)(C)C ZINC000301020361 411129645 /nfs/dbraw/zinc/12/96/45/411129645.db2.gz JYOKPNDHULTNQM-UHFFFAOYSA-N 2 0 202.342 1.330 20 0 BDADRP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CCOCC1 ZINC000400923761 411163010 /nfs/dbraw/zinc/16/30/10/411163010.db2.gz GTGFGUZQMPMPEQ-MELADBBJSA-N 2 0 238.375 1.391 20 0 BDADRP [NH3+]C1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000400927081 411163751 /nfs/dbraw/zinc/16/37/51/411163751.db2.gz HQWGPNZRDNRTQQ-GMZKHCIJSA-N 3 0 237.391 1.234 20 0 BDADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CCCOC1 ZINC000651865717 411147598 /nfs/dbraw/zinc/14/75/98/411147598.db2.gz FQQFBDAOBAEHHE-CYBMUJFWSA-N 2 0 228.380 1.733 20 0 BDADRP CC[C@@H]1C[N@H+](CC[C@@H]2CCOC2)CC[C@@H]1[NH3+] ZINC000400675940 411158752 /nfs/dbraw/zinc/15/87/52/411158752.db2.gz UZWHSHJJBILITO-UPJWGTAASA-N 2 0 226.364 1.472 20 0 BDADRP Cc1ncccc1CN[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000655941098 411160458 /nfs/dbraw/zinc/16/04/58/411160458.db2.gz MDSLYDXKSCAOQL-VHRBIJSZSA-N 2 0 233.359 1.866 20 0 BDADRP C[C@@H]1CN(CCc2noc3ccccc32)C[C@H]1[NH3+] ZINC000655941340 411160494 /nfs/dbraw/zinc/16/04/94/411160494.db2.gz QOUZDCKMEGGLMK-ZYHUDNBSSA-N 2 0 245.326 1.649 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000655947681 411161221 /nfs/dbraw/zinc/16/12/21/411161221.db2.gz VKAHHRYGSNNJKF-ZDUSSCGKSA-N 2 0 226.364 1.629 20 0 BDADRP Cc1ncc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000400995672 411168552 /nfs/dbraw/zinc/16/85/52/411168552.db2.gz IQHHZJHJIRFEEI-QJPTWQEYSA-N 2 0 235.331 1.461 20 0 BDADRP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400997136 411168717 /nfs/dbraw/zinc/16/87/17/411168717.db2.gz JGCAXEMWYQVPII-HTVCTNPSSA-N 2 0 240.391 1.371 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401030989 411173710 /nfs/dbraw/zinc/17/37/10/411173710.db2.gz LFFCQYFEUFVESL-YIYPIFLZSA-N 2 0 240.391 1.515 20 0 BDADRP CO[C@H](C)CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401041418 411174208 /nfs/dbraw/zinc/17/42/08/411174208.db2.gz DWSLVOXYTGWPMU-YVECIDJPSA-N 2 0 226.364 1.389 20 0 BDADRP OCC1(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000401085878 411176171 /nfs/dbraw/zinc/17/61/71/411176171.db2.gz REIBJXFYUFKPSA-YNEHKIRRSA-N 2 0 238.375 1.127 20 0 BDADRP COC[C@H](C)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401084024 411176618 /nfs/dbraw/zinc/17/66/18/411176618.db2.gz UFSUZLPLSKWLHB-FDYHWXHSSA-N 2 0 226.364 1.247 20 0 BDADRP C(COCC1CC1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401113184 411176687 /nfs/dbraw/zinc/17/66/87/411176687.db2.gz HEIFZVPGRFOWQQ-HZSPNIEDSA-N 2 0 238.375 1.391 20 0 BDADRP COCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401117011 411176717 /nfs/dbraw/zinc/17/67/17/411176717.db2.gz IMMBFDHGIRRKEO-SDDRHHMPSA-N 2 0 212.337 1.001 20 0 BDADRP OC1(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCC1 ZINC000401174807 411179087 /nfs/dbraw/zinc/17/90/87/411179087.db2.gz YFESKMFWDPASFD-RWMBFGLXSA-N 2 0 238.375 1.269 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@H](CO)CCF)[C@@H]2CCC[C@@H]21 ZINC000652301698 411193410 /nfs/dbraw/zinc/19/34/10/411193410.db2.gz FRVBNJSHFNAFMP-CYDGBPFRSA-N 2 0 244.354 1.169 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@H](CO)CCF)[C@@H]2CCC[C@H]21 ZINC000652301701 411193602 /nfs/dbraw/zinc/19/36/02/411193602.db2.gz FRVBNJSHFNAFMP-ZDEQEGDKSA-N 2 0 244.354 1.169 20 0 BDADRP [NH3+][C@H]1CCC[C@H](NCC2([NH3+])CCCCC2)C1 ZINC000656192555 411198349 /nfs/dbraw/zinc/19/83/49/411198349.db2.gz BNWCBJQKNHJCTP-RYUDHWBXSA-N 2 0 225.380 1.508 20 0 BDADRP CC1(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)CC[NH2+]CC1 ZINC000656193037 411198582 /nfs/dbraw/zinc/19/85/82/411198582.db2.gz JHZIRULJWCYBQN-RYUDHWBXSA-N 3 0 225.380 1.236 20 0 BDADRP C[C@H](C[C@@H]1CCOC1)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000656197438 411203164 /nfs/dbraw/zinc/20/31/64/411203164.db2.gz JDIJCPILGFTLIW-XQHKEYJVSA-N 2 0 226.364 1.661 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCn3ccnc3C2)C1 ZINC000656197939 411203195 /nfs/dbraw/zinc/20/31/95/411203195.db2.gz FFYHBOYIOIHERD-GRYCIOLGSA-N 2 0 234.347 1.057 20 0 BDADRP Cc1cnc(CC[NH2+][C@H]2CCC[C@@H]2[NH3+])c(C)c1 ZINC000656200260 411203804 /nfs/dbraw/zinc/20/38/04/411203804.db2.gz KOPKESFDXNYTBC-JSGCOSHPSA-N 2 0 233.359 1.710 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656200285 411204561 /nfs/dbraw/zinc/20/45/61/411204561.db2.gz KUVSRYHOFXRSCE-UPJWGTAASA-N 3 0 227.396 1.434 20 0 BDADRP C[C@H]1CSC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656269749 411220486 /nfs/dbraw/zinc/22/04/86/411220486.db2.gz UIIMLJCLPBMFQG-NNYUYHANSA-N 2 0 228.405 1.668 20 0 BDADRP C[C@@H]1CSC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656269752 411220522 /nfs/dbraw/zinc/22/05/22/411220522.db2.gz UIIMLJCLPBMFQG-WYUUTHIRSA-N 2 0 228.405 1.668 20 0 BDADRP COC1CC([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000656268314 411222707 /nfs/dbraw/zinc/22/27/07/411222707.db2.gz BOWDDJSTDDBECT-CIWCUSHGSA-N 2 0 212.337 1.094 20 0 BDADRP COCCCC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422884321 411233806 /nfs/dbraw/zinc/23/38/06/411233806.db2.gz RVACRXMVHHGCMR-NEPJUHHUSA-N 2 0 214.353 1.663 20 0 BDADRP CO[C@H](C)CC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422903663 411234590 /nfs/dbraw/zinc/23/45/90/411234590.db2.gz OTJATMXLQFYESH-VOMCLLRMSA-N 2 0 214.353 1.519 20 0 BDADRP CS[C@H](C)C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422940536 411234784 /nfs/dbraw/zinc/23/47/84/411234784.db2.gz SYYPEWVCCVDVSY-GMTAPVOTSA-N 2 0 216.394 1.988 20 0 BDADRP C[C@H](CCCc1cccnc1)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000423173205 411236105 /nfs/dbraw/zinc/23/61/05/411236105.db2.gz XLJHKANPBTZJRC-CHWSQXEVSA-N 2 0 247.386 1.990 20 0 BDADRP CC[C@H]1C[N@H+](Cc2cccnc2C)CC[C@@H]1[NH3+] ZINC000310516696 411239405 /nfs/dbraw/zinc/23/94/05/411239405.db2.gz RVPUPYLGXVEBJG-JSGCOSHPSA-N 2 0 233.359 1.949 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400958983 411166565 /nfs/dbraw/zinc/16/65/65/411166565.db2.gz KLZBTGLBYUJWHD-IGQOVBAYSA-N 2 0 240.391 1.373 20 0 BDADRP COCC(C)(C)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400958351 411166624 /nfs/dbraw/zinc/16/66/24/411166624.db2.gz KEZIKTXBBHEFPQ-JHJVBQTASA-N 2 0 240.391 1.637 20 0 BDADRP C1=CCN(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000400976507 411167260 /nfs/dbraw/zinc/16/72/60/411167260.db2.gz SAAGLUMVDZBHGE-RBSFLKMASA-N 2 0 249.402 1.226 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400974228 411167397 /nfs/dbraw/zinc/16/73/97/411167397.db2.gz RBYFYPGELIKLCV-RFQIPJPRSA-N 2 0 240.391 1.229 20 0 BDADRP C[C@H](CN[C@@H]1CCCn2ccnc21)[N@H+](C)C1CC1 ZINC000655714379 411268271 /nfs/dbraw/zinc/26/82/71/411268271.db2.gz BUKOOBFPKAJOOJ-DGCLKSJQSA-N 2 0 248.374 1.790 20 0 BDADRP CC[NH+]1CCC([NH2+]CCO[C@H]2CC2(F)F)CC1 ZINC000658167519 411278351 /nfs/dbraw/zinc/27/83/51/411278351.db2.gz UWGSDJTUVBUAHM-NSHDSACASA-N 2 0 248.317 1.485 20 0 BDADRP CCC[NH2+]CC[NH2+][C@@H](C)CCCCO ZINC000643515254 411285245 /nfs/dbraw/zinc/28/52/45/411285245.db2.gz VCPXXQGUVVPAMH-NSHDSACASA-N 2 0 202.342 1.127 20 0 BDADRP CC[C@@H](O)C[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000658190289 411285609 /nfs/dbraw/zinc/28/56/09/411285609.db2.gz QAKLUXQLXGHQIE-QJPTWQEYSA-N 2 0 214.353 1.077 20 0 BDADRP CCC[C@@H](C[NH2+]CCC[NH+](C)C)OC ZINC000382329261 411289532 /nfs/dbraw/zinc/28/95/32/411289532.db2.gz VYKGAMGTKYZGET-NSHDSACASA-N 2 0 202.342 1.343 20 0 BDADRP C[C@H]1C[NH2+]C[C@@H](NCC[N@H+](C)C2CCCC2)C1 ZINC000401737947 411305295 /nfs/dbraw/zinc/30/52/95/411305295.db2.gz PZLUNBXFNOFSEQ-OLZOCXBDSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](NCC[N@H+](C)C2CCCC2)C1 ZINC000401737948 411305681 /nfs/dbraw/zinc/30/56/81/411305681.db2.gz PZLUNBXFNOFSEQ-QWHCGFSZSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H](C[NH2+]CC1CC[NH2+]CC1)c1ccccn1 ZINC000656781960 411357852 /nfs/dbraw/zinc/35/78/52/411357852.db2.gz AWMSEEFFXDMHSB-GFCCVEGCSA-N 2 0 233.359 1.774 20 0 BDADRP C[C@@H](C[NH2+]C[C@@]1(C)CC[NH2+]C1)c1ccccn1 ZINC000656783968 411360898 /nfs/dbraw/zinc/36/08/98/411360898.db2.gz WXRSRTMXUOKTBK-JSGCOSHPSA-N 2 0 233.359 1.774 20 0 BDADRP C[C@@H]1C[C@@H](C[N@H+](C)CC(C)(C)N)CC[NH2+]1 ZINC000656784630 411361480 /nfs/dbraw/zinc/36/14/80/411361480.db2.gz FZVZDASOAUKABQ-MNOVXSKESA-N 2 0 213.369 1.044 20 0 BDADRP C[N@H+](CC[C@H]1CCOC1)CC(C)(C)[NH3+] ZINC000656785678 411364171 /nfs/dbraw/zinc/36/41/71/411364171.db2.gz PNZYRKSAKCBLGH-JTQLQIEISA-N 2 0 200.326 1.082 20 0 BDADRP c1cc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)n[nH]1 ZINC000656786967 411366380 /nfs/dbraw/zinc/36/63/80/411366380.db2.gz YKANMMRKTBKMLN-CYBMUJFWSA-N 2 0 248.374 1.621 20 0 BDADRP C[C@@H](C[C@H]1CCC[NH2+]1)NCC1([NH3+])CCCC1 ZINC000656789637 411368615 /nfs/dbraw/zinc/36/86/15/411368615.db2.gz UBTVWIRERPZRAF-NWDGAFQWSA-N 2 0 225.380 1.378 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@H]3COC[C@]3(C)C2)CC[NH2+]1 ZINC000656791489 411370787 /nfs/dbraw/zinc/37/07/87/411370787.db2.gz HRRUAOJCMURFOV-MQYQWHSLSA-N 2 0 238.375 1.343 20 0 BDADRP C[C@H]1C[C@H](C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)CC[NH2+]1 ZINC000656790801 411371194 /nfs/dbraw/zinc/37/11/94/411371194.db2.gz ARLVBTCZGGQXHP-RFQIPJPRSA-N 2 0 240.391 1.874 20 0 BDADRP CC[C@H](C)CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000656703418 411339208 /nfs/dbraw/zinc/33/92/08/411339208.db2.gz ALXLDDASJABPMY-QWHCGFSZSA-N 2 0 228.380 1.469 20 0 BDADRP CC1CCC([NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000037859792 168162916 /nfs/dbraw/zinc/16/29/16/168162916.db2.gz KHFGEFBJMXFOGX-JXQTWKCFSA-N 2 0 240.391 1.611 20 0 BDADRP CC1CCC([NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000037859791 168163985 /nfs/dbraw/zinc/16/39/85/168163985.db2.gz KHFGEFBJMXFOGX-RUXDESIVSA-N 2 0 240.391 1.611 20 0 BDADRP CC(C)[N@H+](C)CCNC(=[NH2+])N1CCC(C)CC1 ZINC000303377939 168170773 /nfs/dbraw/zinc/17/07/73/168170773.db2.gz POHMLNWESTXUIU-UHFFFAOYSA-N 2 0 240.395 1.583 20 0 BDADRP C[C@@H]1CCC[N@H+](CC2CCOCC2)[C@@H]1CC[NH3+] ZINC000404299987 411390174 /nfs/dbraw/zinc/39/01/74/411390174.db2.gz PRSCZFWEAOYPPG-TZMCWYRMSA-N 2 0 240.391 1.862 20 0 BDADRP CC(C)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000125648352 411391377 /nfs/dbraw/zinc/39/13/77/411391377.db2.gz CTDTXCJWKVFNCT-UHFFFAOYSA-N 2 0 204.317 1.830 20 0 BDADRP CCC(C)(C)NC(=O)[C@@H](C)N(C)CCC[NH2+]C ZINC000124884403 168294195 /nfs/dbraw/zinc/29/41/95/168294195.db2.gz BWLFQEHRQNGQTF-LLVKDONJSA-N 2 0 243.395 1.221 20 0 BDADRP Cc1c[nH]c(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000657312630 411460273 /nfs/dbraw/zinc/46/02/73/411460273.db2.gz BNWJDBTWGHHFNT-NWDGAFQWSA-N 2 0 234.347 1.435 20 0 BDADRP C[C@H]1CCC[N@H+](Cc2ccnn2C)[C@H]1CC[NH3+] ZINC000404450930 411397178 /nfs/dbraw/zinc/39/71/78/411397178.db2.gz YPVHEVIDUCALQV-AAEUAGOBSA-N 2 0 236.363 1.369 20 0 BDADRP COC[C@H](C)C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404491662 411399383 /nfs/dbraw/zinc/39/93/83/411399383.db2.gz BGEWAIGNIFYKKZ-AGIUHOORSA-N 2 0 228.380 1.718 20 0 BDADRP C[C@@H](c1ccncc1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000122326245 411428142 /nfs/dbraw/zinc/42/81/42/411428142.db2.gz RGLYGXPXPRZNHJ-WOPDTQHZSA-N 2 0 219.332 1.812 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H](CC[NH3+])C2)CC[NH2+]1 ZINC000414738797 411441629 /nfs/dbraw/zinc/44/16/29/411441629.db2.gz OZIVJDRQYZYFRZ-RDBSUJKOSA-N 3 0 239.407 1.435 20 0 BDADRP CCC[C@H](C)C[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405832184 411442731 /nfs/dbraw/zinc/44/27/31/411442731.db2.gz BHRWICXSWOPPTF-YNEHKIRRSA-N 2 0 228.380 1.718 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)CO1 ZINC000657285435 411444863 /nfs/dbraw/zinc/44/48/63/411444863.db2.gz FPRXKFMTBRFMPY-VXGBXAGGSA-N 2 0 228.380 1.731 20 0 BDADRP CC[C@H]1C[C@@H]([NH2+]CCCn2ccnc2)CO1 ZINC000657286906 411445443 /nfs/dbraw/zinc/44/54/43/411445443.db2.gz SOFDVCHMXGBLBD-NEPJUHHUSA-N 2 0 223.320 1.430 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000414824747 411447923 /nfs/dbraw/zinc/44/79/23/411447923.db2.gz BDCQOYXBAHTPBH-MJBXVCDLSA-N 2 0 240.391 1.779 20 0 BDADRP COc1ccccc1C[C@@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC000414824187 411448061 /nfs/dbraw/zinc/44/80/61/411448061.db2.gz QHQLOWIWXBPTIS-NWDGAFQWSA-N 2 0 236.359 1.953 20 0 BDADRP CO[C@H](C[NH+]1CCC([NH+](C)C)CC1)C1CCC1 ZINC000659836878 411470086 /nfs/dbraw/zinc/47/00/86/411470086.db2.gz BLVCKYKTEBZVQQ-CQSZACIVSA-N 2 0 240.391 1.828 20 0 BDADRP CC[C@H]1C[C@@H]([NH2+]CC2CC[NH+](CC)CC2)CO1 ZINC000657346677 411470624 /nfs/dbraw/zinc/47/06/24/411470624.db2.gz HCNAFQUNJHTYPY-KGLIPLIRSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)CO1 ZINC000657359449 411476951 /nfs/dbraw/zinc/47/69/51/411476951.db2.gz UUELGMMXDFEWIF-JHJVBQTASA-N 2 0 226.364 1.485 20 0 BDADRP C[NH2+]Cc1ccc(NC[C@@]2(C)CC[NH2+]C2)cc1 ZINC000414977490 411477814 /nfs/dbraw/zinc/47/78/14/411477814.db2.gz PZYZPCMYEVVHKM-AWEZNQCLSA-N 2 0 233.359 1.818 20 0 BDADRP C[N@H+](CCNC[C@]1(C)CC[NH2+]C1)C1CCCC1 ZINC000415089253 411491764 /nfs/dbraw/zinc/49/17/64/411491764.db2.gz YQLOLAAVHZSTAC-CQSZACIVSA-N 2 0 239.407 1.450 20 0 BDADRP CC[C@H]1C[C@H]([NH2+]CC2=CC[N@H+](C)CC2)CO1 ZINC000657427395 411504066 /nfs/dbraw/zinc/50/40/66/411504066.db2.gz MXPKQVXYEYEVGF-STQMWFEESA-N 2 0 224.348 1.405 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+][C@@H](C)CC[NH+](C)C)CCO1 ZINC000069890341 411505957 /nfs/dbraw/zinc/50/59/57/411505957.db2.gz DIMGDHLVDJBNTA-YNEHKIRRSA-N 2 0 228.380 1.874 20 0 BDADRP CC[C@]1([NH2+]Cc2cnc(C)n2C)CCOC1 ZINC000657448709 411510245 /nfs/dbraw/zinc/51/02/45/411510245.db2.gz WKGYOLXXLSEDBH-LBPRGKRZSA-N 2 0 223.320 1.387 20 0 BDADRP CC[C@H]1C[C@H]([NH2+]C2CC([NH+](C)C)C2)CCO1 ZINC000655793048 411516475 /nfs/dbraw/zinc/51/64/75/411516475.db2.gz NJRJEUHXCPWEAT-XVSSEFHLSA-N 2 0 226.364 1.626 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CO1 ZINC000655802514 411518368 /nfs/dbraw/zinc/51/83/68/411518368.db2.gz DVNWVMHSFJSYHJ-NNYUYHANSA-N 2 0 212.337 1.094 20 0 BDADRP C[C@H](Cc1cnccn1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655803856 411518873 /nfs/dbraw/zinc/51/88/73/411518873.db2.gz FJIKGCZHSWVLLN-BZPMIXESSA-N 2 0 248.374 1.337 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]1CCCO1 ZINC000655805316 411519480 /nfs/dbraw/zinc/51/94/80/411519480.db2.gz LSWPMRZPZWIPSU-WUHRBBMRSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1nccn1C ZINC000655806132 411520424 /nfs/dbraw/zinc/52/04/24/411520424.db2.gz ZVNSFBJGUCWQMB-SDDRHHMPSA-N 2 0 236.363 1.411 20 0 BDADRP CN1CCC([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000655807937 411521073 /nfs/dbraw/zinc/52/10/73/411521073.db2.gz XFFRGGAXFCIMLE-BJHJDKERSA-N 2 0 225.380 1.010 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)CO1 ZINC000657472177 411523073 /nfs/dbraw/zinc/52/30/73/411523073.db2.gz OHMVYJCHFVXXLW-QJPTWQEYSA-N 2 0 214.353 1.341 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)CO1 ZINC000657472176 411523386 /nfs/dbraw/zinc/52/33/86/411523386.db2.gz OHMVYJCHFVXXLW-IJLUTSLNSA-N 2 0 214.353 1.341 20 0 BDADRP COCC1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000655818770 411525285 /nfs/dbraw/zinc/52/52/85/411525285.db2.gz UEPODBGEFWIPFY-NWDGAFQWSA-N 2 0 226.364 1.485 20 0 BDADRP Cc1ncccc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655826480 411526445 /nfs/dbraw/zinc/52/64/45/411526445.db2.gz FWMHFOGKVBUBCR-XBXGTLAGSA-N 2 0 233.359 1.820 20 0 BDADRP CC[C@H]1C[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)CO1 ZINC000657487413 411530962 /nfs/dbraw/zinc/53/09/62/411530962.db2.gz ARCYGIATJDCWPH-JSGCOSHPSA-N 2 0 245.326 1.991 20 0 BDADRP CC[N@@H+]1CC[C@@H](N(C)CCC[NH3+])C[C@H]1C ZINC000309786300 170009112 /nfs/dbraw/zinc/00/91/12/170009112.db2.gz ODXBFKNCVVQDMC-VXGBXAGGSA-N 2 0 213.369 1.140 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]C2CCOCC2)[C@H](C)C1 ZINC000119011240 170011034 /nfs/dbraw/zinc/01/10/34/170011034.db2.gz KCKGXXFGOCIMOI-DGCLKSJQSA-N 2 0 226.364 1.485 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCC(C)(C)O)[C@H](C)C1 ZINC000336776243 170011999 /nfs/dbraw/zinc/01/19/99/170011999.db2.gz FFWPGSMREZODJT-VXGBXAGGSA-N 2 0 228.380 1.467 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000250336064 170017404 /nfs/dbraw/zinc/01/74/04/170017404.db2.gz PCDXNGMZHSFLMM-HZSPNIEDSA-N 3 0 239.407 1.435 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CCOC2)C[C@@H]1C ZINC000336692756 170019908 /nfs/dbraw/zinc/01/99/08/170019908.db2.gz IRVYKIJNRODLQF-MJBXVCDLSA-N 2 0 240.391 1.828 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC(O)(CC)CC)[C@@H](C)C1 ZINC000305103752 170020791 /nfs/dbraw/zinc/02/07/91/170020791.db2.gz CFGCAGZOQYCFBP-STQMWFEESA-N 2 0 242.407 1.857 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCO2)[C@@H](C)C1 ZINC000358024636 170021119 /nfs/dbraw/zinc/02/11/19/170021119.db2.gz RWGIJINRHXGBFQ-IHRRRGAJSA-N 2 0 240.391 1.875 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@](C)(O)C(C)C)[C@H](C)C1 ZINC000305099267 170021256 /nfs/dbraw/zinc/02/12/56/170021256.db2.gz AJKVUIMFBRTDHP-HZSPNIEDSA-N 2 0 242.407 1.713 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCCCO)[C@@H](C)C1 ZINC000352785129 170022310 /nfs/dbraw/zinc/02/23/10/170022310.db2.gz ZIWIHXREJZKRBL-IHRRRGAJSA-N 2 0 242.407 1.857 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)CCCCO)[C@H](C)C1 ZINC000352785130 170022578 /nfs/dbraw/zinc/02/25/78/170022578.db2.gz ZIWIHXREJZKRBL-MCIONIFRSA-N 2 0 242.407 1.857 20 0 BDADRP CCOC(=O)C1CCC([NH2+][C@@H]2CC[NH2+]C2)CC1 ZINC000094087837 170192312 /nfs/dbraw/zinc/19/23/12/170192312.db2.gz DEBGEWWHYMEVCU-HTAVTVPLSA-N 2 0 240.347 1.060 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H](C)C1 ZINC000660310612 411567348 /nfs/dbraw/zinc/56/73/48/411567348.db2.gz OUGNRKKVIPUIBY-ZIAGYGMSSA-N 2 0 242.407 1.810 20 0 BDADRP C[C@H]1CN(C)C[C@H]1[NH2+]CCCOC(C)(C)C ZINC000657638070 411567706 /nfs/dbraw/zinc/56/77/06/411567706.db2.gz POCQFCBQBOVRBM-NWDGAFQWSA-N 2 0 228.380 1.731 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+]Cc2cnc(C)n2C)C1 ZINC000657612459 411563271 /nfs/dbraw/zinc/56/32/71/411563271.db2.gz YFCVNOOURHGXTM-UMSPYCQHSA-N 2 0 223.320 1.386 20 0 BDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CC2)[C@@H](C)C1 ZINC000359377722 170375273 /nfs/dbraw/zinc/37/52/73/170375273.db2.gz KZACCRYISZBHSO-JSGCOSHPSA-N 2 0 240.391 1.875 20 0 BDADRP CCOCC[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000336674139 170391993 /nfs/dbraw/zinc/39/19/93/170391993.db2.gz LJIZDFIDAALLKC-QWHCGFSZSA-N 2 0 228.380 1.828 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000660781013 411629646 /nfs/dbraw/zinc/62/96/46/411629646.db2.gz QQRBBCCPPSYAPZ-YIYPIFLZSA-N 2 0 240.391 1.466 20 0 BDADRP COC[C@@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657813758 411603995 /nfs/dbraw/zinc/60/39/95/411603995.db2.gz ZJPCNPIKQRYMSN-GFCCVEGCSA-N 2 0 240.391 1.733 20 0 BDADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H]1CCCO1)C2 ZINC000660655062 411613313 /nfs/dbraw/zinc/61/33/13/411613313.db2.gz KGZUIUHWVHEEST-KBPBESRZSA-N 2 0 238.375 1.583 20 0 BDADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC1CC1)C2 ZINC000660655458 411613744 /nfs/dbraw/zinc/61/37/44/411613744.db2.gz IANWUSRWGHHGMR-CYBMUJFWSA-N 2 0 208.349 1.814 20 0 BDADRP C[C@@H](O)CC[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660660810 411614702 /nfs/dbraw/zinc/61/47/02/411614702.db2.gz AWGCXOMRKVMIFN-OLZOCXBDSA-N 2 0 226.364 1.175 20 0 BDADRP C([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C12CC(C1)C[NH2+]2 ZINC000663498585 411680941 /nfs/dbraw/zinc/68/09/41/411680941.db2.gz QLUBJNAFZVQUDG-NSTUHTFISA-N 2 0 248.370 1.286 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000663502503 411686309 /nfs/dbraw/zinc/68/63/09/411686309.db2.gz IAMVQTFLRJEYOL-IJLUTSLNSA-N 2 0 213.369 1.219 20 0 BDADRP C[C@H]1C[C@@H](C[N@@H+]2CCc3nccnc3C2)CC[NH2+]1 ZINC000663503590 411688334 /nfs/dbraw/zinc/68/83/34/411688334.db2.gz PYKLKTWGYGOMMU-RYUDHWBXSA-N 2 0 246.358 1.223 20 0 BDADRP C[C@H](CN1CCOC2(C[NH2+]C2)C1)c1ccccc1 ZINC000663508565 411689638 /nfs/dbraw/zinc/68/96/38/411689638.db2.gz DAVUTSXOHXLMBE-CYBMUJFWSA-N 2 0 246.354 1.464 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)C(C)(C)CC ZINC000661231738 411738283 /nfs/dbraw/zinc/73/82/83/411738283.db2.gz PZHGLRVBOIBNJD-RYUDHWBXSA-N 2 0 230.396 1.713 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](CCF)C1 ZINC000661690564 411832814 /nfs/dbraw/zinc/83/28/14/411832814.db2.gz RQWQTWFMACCHSY-QWHCGFSZSA-N 2 0 246.370 1.371 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CCF)C1 ZINC000661690563 411833200 /nfs/dbraw/zinc/83/32/00/411833200.db2.gz RQWQTWFMACCHSY-OLZOCXBDSA-N 2 0 246.370 1.371 20 0 BDADRP CCc1cc(NCC[C@@H](C)[NH+](C)C)cc[nH+]1 ZINC000664245028 411897067 /nfs/dbraw/zinc/89/70/67/411897067.db2.gz NCFLPYKQUAPPKI-LLVKDONJSA-N 2 0 221.348 1.818 20 0 BDADRP CC[C@@H]([NH2+]CCCC[NH+](C)C)[C@H]1CCOC1 ZINC000303393208 170893719 /nfs/dbraw/zinc/89/37/19/170893719.db2.gz KRVUMVPFMVBECG-QWHCGFSZSA-N 2 0 228.380 1.733 20 0 BDADRP CC[C@H](C)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662152702 412008232 /nfs/dbraw/zinc/00/82/32/412008232.db2.gz XVSRAHBGBLTJPG-WCQYABFASA-N 2 0 226.364 1.316 20 0 BDADRP CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H](C)C[NH2+]C ZINC000664719418 412013964 /nfs/dbraw/zinc/01/39/64/412013964.db2.gz RAYMJQDAHMAPMN-NSHDSACASA-N 2 0 243.395 1.079 20 0 BDADRP CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000664719745 412014901 /nfs/dbraw/zinc/01/49/01/412014901.db2.gz XIBFCXCAAVQYNY-QWRGUYRKSA-N 2 0 243.395 1.206 20 0 BDADRP C[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)[C@@H]1CCO ZINC000662216812 412029941 /nfs/dbraw/zinc/02/99/41/412029941.db2.gz PJXVCJOMOMHHKN-GXTWGEPZSA-N 2 0 240.391 1.469 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](CC2CC=CC2)C1 ZINC000662238164 412033747 /nfs/dbraw/zinc/03/37/47/412033747.db2.gz NPOVXQSAFIAVCE-ZDUSSCGKSA-N 2 0 208.349 1.884 20 0 BDADRP CO[C@H](C[N@H+](C)CCC[NH3+])C1CCCC1 ZINC000662243932 412038750 /nfs/dbraw/zinc/03/87/50/412038750.db2.gz DJIIRJUSMWDNAS-GFCCVEGCSA-N 2 0 214.353 1.472 20 0 BDADRP C[NH2+]C[C@H]1CCCN1C[C@@H](OC)C1CCCC1 ZINC000662247405 412044527 /nfs/dbraw/zinc/04/45/27/412044527.db2.gz ZWBLCPQIODNCFR-ZIAGYGMSSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@H](CC(F)F)C[N@H+](C)CCC[NH3+] ZINC000662247422 412045205 /nfs/dbraw/zinc/04/52/05/412045205.db2.gz XWTYBCQZYNGPLJ-SECBINFHSA-N 2 0 208.296 1.948 20 0 BDADRP CC[N@H+](CC(C)C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662253969 412049877 /nfs/dbraw/zinc/04/98/77/412049877.db2.gz ZZGPSFVEARKXBE-LBPRGKRZSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]([N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1)C1(C)CC1 ZINC000662257719 412052262 /nfs/dbraw/zinc/05/22/62/412052262.db2.gz FWKDFMYYRYMZRF-NEPJUHHUSA-N 2 0 238.375 1.628 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)CC(C)(C)[NH3+] ZINC000662294095 412052897 /nfs/dbraw/zinc/05/28/97/412052897.db2.gz IVSZNEHLMBXELJ-NSHDSACASA-N 2 0 213.369 1.045 20 0 BDADRP CC[C@H]1CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662259031 412054526 /nfs/dbraw/zinc/05/45/26/412054526.db2.gz OMYURUKUEAANPA-NWDGAFQWSA-N 2 0 224.348 1.239 20 0 BDADRP CC1(C)CCCC[C@@H]1C[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000662265177 412056522 /nfs/dbraw/zinc/05/65/22/412056522.db2.gz GCNLPGQAGFULKP-OLZOCXBDSA-N 2 0 240.391 1.862 20 0 BDADRP CC[C@H]1C[N@H+](Cc2cccc(O)c2)CC[C@@H]1[NH3+] ZINC000134092127 412058651 /nfs/dbraw/zinc/05/86/51/412058651.db2.gz NSTXOXLRPYUPIW-JSGCOSHPSA-N 2 0 234.343 1.951 20 0 BDADRP CC[C@@H]1CC[C@H]1[NH2+]CCC[N@H+](C)CCOC ZINC000336729153 171059578 /nfs/dbraw/zinc/05/95/78/171059578.db2.gz HNBWYUAZZOENGN-CHWSQXEVSA-N 2 0 228.380 1.733 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)CCS1 ZINC000133061384 171086273 /nfs/dbraw/zinc/08/62/73/171086273.db2.gz MEDJTOAWBDPJKE-VXGBXAGGSA-N 2 0 228.405 1.813 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)C1CCC1 ZINC000662273549 412065314 /nfs/dbraw/zinc/06/53/14/412065314.db2.gz OELRZWOYUVFJQP-BFHYXJOUSA-N 2 0 238.375 1.485 20 0 BDADRP CC[C@@H]1C[C@H](C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000359463413 171130460 /nfs/dbraw/zinc/13/04/60/171130460.db2.gz ZGVJIBLVZMDXFN-YIYPIFLZSA-N 2 0 238.375 1.343 20 0 BDADRP CC[C@@]1(C)COCC[N@@H+]1CCn1ccnc1C ZINC000336702279 171204801 /nfs/dbraw/zinc/20/48/01/171204801.db2.gz MEZGATPMQWZKRQ-ZDUSSCGKSA-N 2 0 237.347 1.692 20 0 BDADRP CC[C@H](C(=O)NCC[N@H+](C)CC)[NH+](CC)CC ZINC000346131649 171228395 /nfs/dbraw/zinc/22/83/95/171228395.db2.gz PGWBQDYXWCMTOZ-GFCCVEGCSA-N 2 0 243.395 1.175 20 0 BDADRP CC[C@@H]1[C@H](C)CC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662282237 412073203 /nfs/dbraw/zinc/07/32/03/412073203.db2.gz OAWPCGJAIZOSFB-FRRDWIJNSA-N 2 0 238.375 1.628 20 0 BDADRP Cc1nocc1C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000662285515 412077736 /nfs/dbraw/zinc/07/77/36/412077736.db2.gz KRQJDIQJWJHVEI-ZWNOBZJWSA-N 2 0 237.347 1.932 20 0 BDADRP COc1ccc(C[N@H+](C)CC[C@H]2CC[NH2+]C2)cn1 ZINC000662297062 412083610 /nfs/dbraw/zinc/08/36/10/412083610.db2.gz ZDOFTMPEOSUSAQ-GFCCVEGCSA-N 2 0 249.358 1.522 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@@H]1C[NH+](C)C[C@@H]1C ZINC000336732938 171308337 /nfs/dbraw/zinc/30/83/37/171308337.db2.gz JSNVWNHWHNHHKQ-RWMBFGLXSA-N 2 0 227.396 1.256 20 0 BDADRP CC[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000358313365 171339872 /nfs/dbraw/zinc/33/98/72/171339872.db2.gz DBZLQZLESKZTIH-FPMFFAJLSA-N 2 0 240.391 1.752 20 0 BDADRP CC[C@H](C)[C@H](C)[NH2+]C[C@]1(O)CCN(C)C1 ZINC000309093964 171389872 /nfs/dbraw/zinc/38/98/72/171389872.db2.gz DGBDLPFTZQPFBO-SDDRHHMPSA-N 2 0 214.353 1.077 20 0 BDADRP [NH3+]CC12CC(C1)CN2CCC[NH+]1CCCCC1 ZINC000662305269 412091612 /nfs/dbraw/zinc/09/16/12/412091612.db2.gz GQRATCBCBBNGDW-UHFFFAOYSA-N 2 0 237.391 1.286 20 0 BDADRP C[C@H]([NH3+])C[NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000662310844 412093745 /nfs/dbraw/zinc/09/37/45/412093745.db2.gz NXSDXNQHISDKLL-UHTWSYAYSA-N 2 0 236.363 1.068 20 0 BDADRP COCCC[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662317849 412099356 /nfs/dbraw/zinc/09/93/56/412099356.db2.gz TVOTWDMAPBRGJK-CHWSQXEVSA-N 2 0 228.380 1.862 20 0 BDADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H]1CCCO1 ZINC000665235956 412175914 /nfs/dbraw/zinc/17/59/14/412175914.db2.gz DENFRPSEUIXPGT-MFKMUULPSA-N 2 0 249.358 1.678 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CCCO1 ZINC000665236021 412176579 /nfs/dbraw/zinc/17/65/79/412176579.db2.gz FQVQUWJJORXZPC-SRVKXCTJSA-N 2 0 212.337 1.415 20 0 BDADRP CC(C)(C)[N@@H+]1CC[C@H](N[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000665236750 412176682 /nfs/dbraw/zinc/17/66/82/412176682.db2.gz SSXZJOXHKBCWBI-RWMBFGLXSA-N 2 0 239.407 1.576 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCO[C@H]2CC2(F)F)C1 ZINC000665244700 412189794 /nfs/dbraw/zinc/18/97/94/412189794.db2.gz TYCPBXLXOWCWLH-BBBLOLIVSA-N 2 0 234.290 1.270 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@]1(C)CC1(F)F ZINC000665266808 412203971 /nfs/dbraw/zinc/20/39/71/412203971.db2.gz KFNPWIABEIVGTI-UWVGGRQHSA-N 2 0 236.306 1.375 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)C1C[NH2+]C1 ZINC000665273689 412215392 /nfs/dbraw/zinc/21/53/92/412215392.db2.gz BQVFXCIEMHJLBE-CBAPKCEASA-N 2 0 218.291 1.475 20 0 BDADRP C[C@@H]([NH2+]CC[C@]1(C)CC1(F)F)C1C[NH2+]C1 ZINC000665266404 412208377 /nfs/dbraw/zinc/20/83/77/412208377.db2.gz APRFLYKZKWSISD-PSASIEDQSA-N 2 0 218.291 1.619 20 0 BDADRP C[C@H]([NH2+]CC[C@@]1(C)CC1(F)F)C1C[NH2+]C1 ZINC000665266407 412208525 /nfs/dbraw/zinc/20/85/25/412208525.db2.gz APRFLYKZKWSISD-WPRPVWTQSA-N 2 0 218.291 1.619 20 0 BDADRP CC[C@@H]([NH2+]CCC1CC(OC)C1)[C@@H]1CCC[NH2+]1 ZINC000665230867 412168156 /nfs/dbraw/zinc/16/81/56/412168156.db2.gz XIBSEOSEFMCFBS-PQAZSJQKSA-N 2 0 240.391 1.922 20 0 BDADRP COC1CC(CC[NH2+][C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000665230295 412168958 /nfs/dbraw/zinc/16/89/58/412168958.db2.gz MFSUJTXAASXYQW-RYSNWHEDSA-N 2 0 240.391 1.779 20 0 BDADRP CC[C@H]([NH2+]CC[C@@H](COC)OC)[C@@H]1CCC[NH2+]1 ZINC000665234326 412172568 /nfs/dbraw/zinc/17/25/68/412172568.db2.gz BACSJDIDQZCQCS-AVGNSLFASA-N 2 0 244.379 1.158 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000422748081 412173328 /nfs/dbraw/zinc/17/33/28/412173328.db2.gz RVTYXAUTYQXZPN-LBELIVKGSA-N 2 0 224.348 1.413 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@@]1(C)CC1(C)C ZINC000665275256 412219973 /nfs/dbraw/zinc/21/99/73/412219973.db2.gz GGIRPLVGMCCGAS-PWSUYJOCSA-N 2 0 214.353 1.519 20 0 BDADRP CC(C)[C@H]([NH2+]CC12CC(C1)C[NH2+]2)C1CC1 ZINC000665277491 412220438 /nfs/dbraw/zinc/22/04/38/412220438.db2.gz CPGUEFOTICTBGW-YDGIUTOCSA-N 2 0 208.349 1.763 20 0 BDADRP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)[C@H]1CCCOC1 ZINC000665279048 412223021 /nfs/dbraw/zinc/22/30/21/412223021.db2.gz VSOLYPMAGROIAD-IGJPJIBNSA-N 2 0 224.348 1.143 20 0 BDADRP [NH3+][C@@H]1C[C@H](NCC23CC(C2)C[NH2+]3)c2ccccc21 ZINC000665280207 412225022 /nfs/dbraw/zinc/22/50/22/412225022.db2.gz VUJOBJPOBIXYRH-MULWJCLTSA-N 2 0 243.354 1.473 20 0 BDADRP COC[C@H]([NH2+]CC[C@@H]([NH3+])C(C)C)C(C)C ZINC000665281309 412226736 /nfs/dbraw/zinc/22/67/36/412226736.db2.gz ZKVXIIZHVAISIU-NEPJUHHUSA-N 2 0 216.369 1.620 20 0 BDADRP CCn1cc([C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)cn1 ZINC000665281046 412226937 /nfs/dbraw/zinc/22/69/37/412226937.db2.gz SJNZQLZYYYGXGS-DGCLKSJQSA-N 2 0 238.379 1.927 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000665282240 412228179 /nfs/dbraw/zinc/22/81/79/412228179.db2.gz UFMGDXNWVMNSDO-XQQFMLRXSA-N 2 0 227.396 1.480 20 0 BDADRP CC[C@@H](C)[C@H](C)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665289377 412236167 /nfs/dbraw/zinc/23/61/67/412236167.db2.gz MRDNGXJJGBKAKN-BDAKNGLRSA-N 2 0 238.335 1.165 20 0 BDADRP Cc1ccccc1[C@@H]([NH3+])C(=O)N(C)CC(C)(C)[NH3+] ZINC000662605973 412237948 /nfs/dbraw/zinc/23/79/48/412237948.db2.gz VVMDNGBFSVQSEX-GFCCVEGCSA-N 2 0 249.358 1.191 20 0 BDADRP C[NH2+]C[C@H](C)N[C@@H](C)Cc1ccc(OC)nc1 ZINC000665298049 412244277 /nfs/dbraw/zinc/24/42/77/412244277.db2.gz QWSIEUZRPVLNOF-QWRGUYRKSA-N 2 0 237.347 1.219 20 0 BDADRP CC(C)([NH3+])CC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662621145 412245204 /nfs/dbraw/zinc/24/52/04/412245204.db2.gz FAXYOTUOGRWZHH-SNVBAGLBSA-N 2 0 241.379 1.103 20 0 BDADRP CCC(CC)(C[NH3+])C(=O)NCC[C@H](C)[NH+](C)C ZINC000662858013 412327062 /nfs/dbraw/zinc/32/70/62/412327062.db2.gz DJIITXBIMZRYAL-NSHDSACASA-N 2 0 243.395 1.208 20 0 BDADRP C[C@H]([NH3+])c1ccc(C(=O)N[C@@]2(C)CC[NH2+]C2)cc1 ZINC000663013114 412370606 /nfs/dbraw/zinc/37/06/06/412370606.db2.gz JJUNBHPROHSONF-HZMBPMFUSA-N 2 0 247.342 1.188 20 0 BDADRP C[C@@H]1C[C@H](NC(=O)CCC(C)(C)[NH3+])CC[N@@H+]1C ZINC000132946633 412373918 /nfs/dbraw/zinc/37/39/18/412373918.db2.gz COXPFZLUEBXOID-GHMZBOCLSA-N 2 0 241.379 1.103 20 0 BDADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(N)=[NH2+])C1CC1 ZINC000186889888 172870627 /nfs/dbraw/zinc/87/06/27/172870627.db2.gz JUWRMDZZGHLBIH-ZDUSSCGKSA-N 2 0 246.358 1.380 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](O)CC1 ZINC000334245609 173005214 /nfs/dbraw/zinc/00/52/14/173005214.db2.gz SYCVIMHDAYTLJG-KGLIPLIRSA-N 2 0 240.391 1.708 20 0 BDADRP C[N@@H+]1CCCN(CC[NH2+]C2CCCC2)CC1 ZINC000037482414 173014114 /nfs/dbraw/zinc/01/41/14/173014114.db2.gz VFWDHKKNJOXAMA-UHFFFAOYSA-N 2 0 225.380 1.156 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1CCO ZINC000336680737 173050008 /nfs/dbraw/zinc/05/00/08/173050008.db2.gz XQQZGXYBGQFKEC-STQMWFEESA-N 2 0 226.364 1.318 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](CO)CC1 ZINC000339750620 173051638 /nfs/dbraw/zinc/05/16/38/173051638.db2.gz OIRKECHBJWMBGP-KBPBESRZSA-N 2 0 240.391 1.565 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH2+]C(C)(C)C(C)(C)O ZINC000336754719 173053774 /nfs/dbraw/zinc/05/37/74/173053774.db2.gz FXONTJXWFFXXQN-NSHDSACASA-N 2 0 228.380 1.610 20 0 BDADRP CN1CC[N@H+](CCC2CC[NH2+]CC2)CC1(C)C ZINC000104138466 173079486 /nfs/dbraw/zinc/07/94/86/173079486.db2.gz OAUZSKMZZSXQBZ-UHFFFAOYSA-N 2 0 239.407 1.402 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCc3ccccn3)C2)C1 ZINC000292166364 173139306 /nfs/dbraw/zinc/13/93/06/173139306.db2.gz PDHLPKPGKMQLAD-OAHLLOKOSA-N 2 0 245.370 1.652 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CCCCCO)[C@H]2CCC[C@@H]21 ZINC000353609592 173152172 /nfs/dbraw/zinc/15/21/72/173152172.db2.gz TZCHOLBZTOVEHM-RDBSUJKOSA-N 2 0 240.391 1.611 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CCC(C)(C)O)[C@H]2CCC[C@H]21 ZINC000368610819 173152774 /nfs/dbraw/zinc/15/27/74/173152774.db2.gz BCXLDEHXOPVXJH-FRRDWIJNSA-N 2 0 240.391 1.610 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CCCF)[C@H]2CCC[C@H]21 ZINC000308909990 173152830 /nfs/dbraw/zinc/15/28/30/173152830.db2.gz DMGXKJKLFMDVGG-GRYCIOLGSA-N 2 0 214.328 1.808 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CCn2ccnc2)[C@H]2CCC[C@@H]21 ZINC000368607981 173153045 /nfs/dbraw/zinc/15/30/45/173153045.db2.gz KCBWPPZTLSNUEG-RDBSUJKOSA-N 2 0 248.374 1.346 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCO2)[C@H]2CCC[C@H]21 ZINC000353433995 173153556 /nfs/dbraw/zinc/15/35/56/173153556.db2.gz HZNYEXNYTPONCJ-RFQIPJPRSA-N 2 0 238.375 1.628 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+](C[C@@H]3CCC=CO3)C2)C1 ZINC000366478540 173167772 /nfs/dbraw/zinc/16/77/72/173167772.db2.gz FILJRSMAPIIFIJ-KBPBESRZSA-N 2 0 236.359 1.707 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+](CCCn3ccnc3)C2)C1 ZINC000366518824 173167993 /nfs/dbraw/zinc/16/79/93/173167993.db2.gz IMLLNQAAWMCCTL-AWEZNQCLSA-N 2 0 248.374 1.301 20 0 BDADRP C[NH2+]CC1CC[NH+](Cc2nc(C)ccc2O)CC1 ZINC000091996092 173338706 /nfs/dbraw/zinc/33/87/06/173338706.db2.gz KFCPXXDPUDRDDI-UHFFFAOYSA-N 2 0 249.358 1.527 20 0 BDADRP C[NH2+]CCC1CC[NH+](CC(C)(C)O)CC1 ZINC000069730523 173342755 /nfs/dbraw/zinc/34/27/55/173342755.db2.gz FWOBBSOLUCQESC-UHFFFAOYSA-N 2 0 214.353 1.079 20 0 BDADRP C[NH2+]CCCC(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000375992659 173345384 /nfs/dbraw/zinc/34/53/84/173345384.db2.gz OCASTTCATNTXAT-UHFFFAOYSA-N 2 0 247.342 1.270 20 0 BDADRP C[NH2+]CCCN(C)C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000124618206 173345880 /nfs/dbraw/zinc/34/58/80/173345880.db2.gz NXHRQTQYCZHTLU-CYBMUJFWSA-N 2 0 249.358 1.144 20 0 BDADRP C[NH2+]C[C@@H](C)C(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000375965857 173364328 /nfs/dbraw/zinc/36/43/28/173364328.db2.gz TZOOYNONUDPQCM-SNVBAGLBSA-N 2 0 247.342 1.126 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](CCCOC(C)C)C1 ZINC000011892063 173369879 /nfs/dbraw/zinc/36/98/79/173369879.db2.gz NAOQYRJSZIUHPC-LBPRGKRZSA-N 2 0 214.353 1.343 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](CCCc2ccc(C)nc2)C1 ZINC000339407485 173369984 /nfs/dbraw/zinc/36/99/84/173369984.db2.gz NSBPLDDFUHUKHG-HNNXBMFYSA-N 2 0 247.386 1.864 20 0 BDADRP C[NH2+]C[C@@H]1CCN(c2cc[nH+]cc2C)C1 ZINC000070047634 173370846 /nfs/dbraw/zinc/37/08/46/173370846.db2.gz ZNSLZQYOWCIMRB-NSHDSACASA-N 2 0 205.305 1.436 20 0 BDADRP C[NH2+]C[C@H]1CCCN1C[C@@H]1CCCCO1 ZINC000042390492 173379623 /nfs/dbraw/zinc/37/96/23/173379623.db2.gz RWXAWFYEBNPVTI-NEPJUHHUSA-N 2 0 212.337 1.239 20 0 BDADRP C[NH2+]C[C@H]1CCCN1CC[C@H]1CCCO1 ZINC000250754919 173379711 /nfs/dbraw/zinc/37/97/11/173379711.db2.gz PWORWZZUJUJVOV-VXGBXAGGSA-N 2 0 212.337 1.239 20 0 BDADRP C[NH2+]C[C@H]1CCCN1c1cc[nH+]c(C)c1 ZINC000229577223 173380871 /nfs/dbraw/zinc/38/08/71/173380871.db2.gz VWFDIRVOHISSSW-GFCCVEGCSA-N 2 0 205.305 1.578 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](CCc2cccs2)C1 ZINC000011891978 173381632 /nfs/dbraw/zinc/38/16/32/173381632.db2.gz IZDRBPYUYFSLJK-LLVKDONJSA-N 2 0 224.373 1.832 20 0 BDADRP C[NH2+]C[C@H]1CCN(c2cc[nH+]c(C)c2)C1 ZINC000229574977 173382159 /nfs/dbraw/zinc/38/21/59/173382159.db2.gz IDKALMHRLPKLNU-LLVKDONJSA-N 2 0 205.305 1.436 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)[C@H]([NH3+])C(C)C)cc1 ZINC000295206317 173389153 /nfs/dbraw/zinc/38/91/53/173389153.db2.gz KUUHOQZCJQVSLL-GFCCVEGCSA-N 2 0 235.331 1.328 20 0 BDADRP COC1CC[NH+](C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000234591731 174027913 /nfs/dbraw/zinc/02/79/13/174027913.db2.gz JDTLXNICTUXAOR-RYUDHWBXSA-N 2 0 226.364 1.485 20 0 BDADRP COCC(C)(C)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357058746 174069923 /nfs/dbraw/zinc/06/99/23/174069923.db2.gz WEKRXNQXJVZTDD-NWDGAFQWSA-N 2 0 226.364 1.200 20 0 BDADRP COCC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000336698638 174071463 /nfs/dbraw/zinc/07/14/63/174071463.db2.gz JCQLUKJMPDAAHA-YHWZYXNKSA-N 2 0 240.391 1.874 20 0 BDADRP COCC1(C[NH2+]C2CCCCC2)CC[NH2+]CC1 ZINC000234710883 174102685 /nfs/dbraw/zinc/10/26/85/174102685.db2.gz YFIUEYFOEAKUST-UHFFFAOYSA-N 2 0 240.391 1.925 20 0 BDADRP COCC1(C[NH2+][C@@H]2CC[C@@H](C)C2)CC[NH2+]CC1 ZINC000234714749 174105040 /nfs/dbraw/zinc/10/50/40/174105040.db2.gz UGHXYFNGRQFAPM-CHWSQXEVSA-N 2 0 240.391 1.781 20 0 BDADRP COCCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000369599846 174234610 /nfs/dbraw/zinc/23/46/10/174234610.db2.gz GRXZOJHLEXZNLE-RDBSUJKOSA-N 2 0 238.375 1.439 20 0 BDADRP COCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363257438 174318129 /nfs/dbraw/zinc/31/81/29/174318129.db2.gz XPIRAWZYDMBUGW-JHJVBQTASA-N 2 0 224.348 1.049 20 0 BDADRP COCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000375898307 174339437 /nfs/dbraw/zinc/33/94/37/174339437.db2.gz QZURJRCTXDBGDX-IJLUTSLNSA-N 2 0 212.337 1.095 20 0 BDADRP COCC[C@@H](C)[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000123361978 174378075 /nfs/dbraw/zinc/37/80/75/174378075.db2.gz YRANDJSSRJLJAA-GFCCVEGCSA-N 2 0 240.391 1.875 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1occc1C ZINC000336654760 174468737 /nfs/dbraw/zinc/46/87/37/174468737.db2.gz KHGHWKNQKRGXNM-LLVKDONJSA-N 2 0 226.320 1.432 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CC(C)(C)COC ZINC000309455673 174562037 /nfs/dbraw/zinc/56/20/37/174562037.db2.gz QUICVAKHULREEK-NSHDSACASA-N 2 0 232.368 1.003 20 0 BDADRP CC[C@]1(C)CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000383493981 487629812 /nfs/dbraw/zinc/62/98/12/487629812.db2.gz BGSJGYONQXGKRT-UONOGXRCSA-N 2 0 242.407 1.810 20 0 BDADRP COc1ccccc1CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000194536960 175328924 /nfs/dbraw/zinc/32/89/24/175328924.db2.gz WNBHGUHEVAEDID-OKILXGFUSA-N 2 0 246.354 1.689 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CCOCC(F)F ZINC000308815074 175663672 /nfs/dbraw/zinc/66/36/72/175663672.db2.gz IHGXIRHRMOFTPZ-VIFPVBQESA-N 2 0 224.295 1.375 20 0 BDADRP C[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000037019510 175800070 /nfs/dbraw/zinc/80/00/70/175800070.db2.gz GLKXPMWZPOKZJN-SECBINFHSA-N 2 0 221.304 1.034 20 0 BDADRP C[C@@H]1CCC[C@@H](CO)[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000336709013 176119329 /nfs/dbraw/zinc/11/93/29/176119329.db2.gz PKLZOUKFYBAADW-RDBSUJKOSA-N 2 0 240.391 1.706 20 0 BDADRP C[C@@H]1CCC[C@H](C[N@H+](C)C[C@@H](O)C[NH3+])C1 ZINC000336766002 176137588 /nfs/dbraw/zinc/13/75/88/176137588.db2.gz RRTVQAPNOBEAIV-WOPDTQHZSA-N 2 0 214.353 1.064 20 0 BDADRP C[C@@H]1CCC[C@H]([NH2+]C[C@]2(O)CCN(C)C2)[C@@H]1C ZINC000358225215 176144326 /nfs/dbraw/zinc/14/43/26/176144326.db2.gz CEAHRXIRRNKBPX-YIYPIFLZSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000331948038 176185345 /nfs/dbraw/zinc/18/53/45/176185345.db2.gz GYYNWEHXFUIDFA-KAOXEZKKSA-N 2 0 245.370 1.719 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1NCC1([NH3+])CCCCC1 ZINC000333297635 176185696 /nfs/dbraw/zinc/18/56/96/176185696.db2.gz PNQDDLFENNXBFD-CHWSQXEVSA-N 2 0 239.407 1.626 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCC[NH+](C)C ZINC000336781216 176270880 /nfs/dbraw/zinc/27/08/80/176270880.db2.gz UCIYIYDWDSGYRQ-CHWSQXEVSA-N 3 0 227.396 1.258 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CCOCC1 ZINC000036908722 176278306 /nfs/dbraw/zinc/27/83/06/176278306.db2.gz XELTYXTXWBUVBC-WZRBSPASSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000300418754 176278525 /nfs/dbraw/zinc/27/85/25/176278525.db2.gz BLFYUDLSDHGJGO-AAVRWANBSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000038044774 176280470 /nfs/dbraw/zinc/28/04/70/176280470.db2.gz MQDUWQXQEPACQP-YIYPIFLZSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)CC[C@@H]1[NH3+] ZINC000223643070 176293157 /nfs/dbraw/zinc/29/31/57/176293157.db2.gz NBDJCEAGCSTTJY-AGIUHOORSA-N 2 0 226.364 1.615 20 0 BDADRP C[C@@H]1C[N@H+](CCOc2ccccc2)CC[C@@H]1[NH3+] ZINC000042896768 176293277 /nfs/dbraw/zinc/29/32/77/176293277.db2.gz SYFLEGHKHAFYIJ-OCCSQVGLSA-N 2 0 234.343 1.735 20 0 BDADRP C[C@@H]1C[N@H+](CCc2ccccc2)CC[C@H]1[NH3+] ZINC000251757679 176293744 /nfs/dbraw/zinc/29/37/44/176293744.db2.gz LRHHXVNCKIHDJJ-TZMCWYRMSA-N 2 0 218.344 1.898 20 0 BDADRP C[C@@H]1CN(C[C@H]([NH3+])Cc2ccccc2)CC[N@@H+]1C ZINC000104351601 176299047 /nfs/dbraw/zinc/29/90/47/176299047.db2.gz AAHOFTPTFSDWLH-UKRRQHHQSA-N 2 0 247.386 1.192 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCOC[C@H]2C)CC[N@@H+]1C ZINC000353976509 176339085 /nfs/dbraw/zinc/33/90/85/176339085.db2.gz XWLVUHGNZZXQEU-AAVRWANBSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000353976510 176339265 /nfs/dbraw/zinc/33/92/65/176339265.db2.gz XWLVUHGNZZXQEU-RQJABVFESA-N 2 0 240.391 1.731 20 0 BDADRP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CCCO2)CCN1C ZINC000123603481 176371264 /nfs/dbraw/zinc/37/12/64/176371264.db2.gz AJIZQNVFCDFVBJ-AGIUHOORSA-N 2 0 226.364 1.580 20 0 BDADRP C[C@@H]1OCC[C@H]1[NH2+]CCC1CC[NH+](C)CC1 ZINC000121005070 176480767 /nfs/dbraw/zinc/48/07/67/176480767.db2.gz JRVZZUKGVHNUEP-WCQYABFASA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)Cn1cccn1 ZINC000336672366 176618302 /nfs/dbraw/zinc/61/83/02/176618302.db2.gz SJTJKAXHYYFTFA-VXGBXAGGSA-N 2 0 224.352 1.379 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000310201911 176659337 /nfs/dbraw/zinc/65/93/37/176659337.db2.gz BWTMIOOWMSKGSI-NXEZZACHSA-N 2 0 236.315 1.661 20 0 BDADRP C[C@@H](O)C[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000037901257 487635219 /nfs/dbraw/zinc/63/52/19/487635219.db2.gz CZYIQCFBCNXCCG-GFCCVEGCSA-N 2 0 228.380 1.611 20 0 BDADRP C[C@H](c1cccc(O)c1)[N@H+](C)CCOCC[NH3+] ZINC000357083094 177037053 /nfs/dbraw/zinc/03/70/53/177037053.db2.gz INAQATLYZFHDPU-LLVKDONJSA-N 2 0 238.331 1.360 20 0 BDADRP C[C@H](c1ccccn1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000035694859 177043640 /nfs/dbraw/zinc/04/36/40/177043640.db2.gz CCRHYKVWDFJYEC-GHMZBOCLSA-N 2 0 205.305 1.423 20 0 BDADRP C[C@H]1CCCC[N@@H+]1CCCNC1=[NH+]CCCN1 ZINC000303254765 177075523 /nfs/dbraw/zinc/07/55/23/177075523.db2.gz FAQHFKDWWBUCNV-LBPRGKRZSA-N 2 0 238.379 1.190 20 0 BDADRP C[C@H]1CCOCC[N@@H+]1Cc1cccc2nccn21 ZINC000367710885 177177059 /nfs/dbraw/zinc/17/70/59/177177059.db2.gz WRUBPYPUFRXHKM-LBPRGKRZSA-N 2 0 245.326 1.945 20 0 BDADRP C[C@H]1CC[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)C1 ZINC000309750770 177193435 /nfs/dbraw/zinc/19/34/35/177193435.db2.gz GPZUJKFRPLYJHF-NWDGAFQWSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@H]1CC[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)C1 ZINC000309750771 177204603 /nfs/dbraw/zinc/20/46/03/177204603.db2.gz GPZUJKFRPLYJHF-RYUDHWBXSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCOC(F)F ZINC000309806508 177234165 /nfs/dbraw/zinc/23/41/65/177234165.db2.gz SGPUECNGKOBGKM-VHSXEESVSA-N 2 0 236.306 1.546 20 0 BDADRP C[C@H]1C[N@H+](C)C[C@@H]1NCCC[NH+]1CCCC1 ZINC000336775796 177235598 /nfs/dbraw/zinc/23/55/98/177235598.db2.gz CSFAFHIOJIJHDV-STQMWFEESA-N 2 0 225.380 1.012 20 0 BDADRP C[C@H]1C[N@H+](CCC2CC[NH2+]CC2)CC(C)(C)O1 ZINC000045694727 177246315 /nfs/dbraw/zinc/24/63/15/177246315.db2.gz MTMDEOQROOTEKO-LBPRGKRZSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]1C[N@H+](CC2CCOCC2)CC[C@H]1[NH3+] ZINC000251853319 177246320 /nfs/dbraw/zinc/24/63/20/177246320.db2.gz RRIWELIHBCUNAK-CMPLNLGQSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@H]1C[N@H+](CCc2ccccc2)CC[C@@H]1[NH3+] ZINC000022130141 177254174 /nfs/dbraw/zinc/25/41/74/177254174.db2.gz LRHHXVNCKIHDJJ-JSGCOSHPSA-N 2 0 218.344 1.898 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCCO[C@@H](C)C2)CC[NH2+]1 ZINC000235367933 177257258 /nfs/dbraw/zinc/25/72/58/177257258.db2.gz SDLUWYFBUCDSIH-FRRDWIJNSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCS[C@@H](C)C2)CC[NH2+]1 ZINC000235382074 177259524 /nfs/dbraw/zinc/25/95/24/177259524.db2.gz OIQXNOOHCWVUKV-WOPDTQHZSA-N 2 0 228.405 1.812 20 0 BDADRP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC[NH2+]C(C)(C)C ZINC000094459360 177280350 /nfs/dbraw/zinc/28/03/50/177280350.db2.gz DCJDWBJJPLJOTI-QWHCGFSZSA-N 2 0 239.407 1.543 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)[C@@H](C)CO1 ZINC000226005574 177301986 /nfs/dbraw/zinc/30/19/86/177301986.db2.gz IJCXMGYUXOSRLV-XQQFMLRXSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCc1cccnc1 ZINC000122338990 177324537 /nfs/dbraw/zinc/32/45/37/177324537.db2.gz WQGMZIPGEJQBKQ-AAEUAGOBSA-N 2 0 219.332 1.293 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)CCO1 ZINC000309809388 177330980 /nfs/dbraw/zinc/33/09/80/177330980.db2.gz TVRMEVCSVAESAC-AAEUAGOBSA-N 2 0 224.348 1.405 20 0 BDADRP C[C@H](CN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)C[NH+](C)C ZINC000336722169 177331936 /nfs/dbraw/zinc/33/19/36/177331936.db2.gz STRKIVJOUIRNCD-YIYPIFLZSA-N 2 0 241.423 1.502 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCC[NH+]1CCCC1 ZINC000036908134 177332476 /nfs/dbraw/zinc/33/24/76/177332476.db2.gz ZNSVSRMSNJOANO-HZSPNIEDSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC1CCOCC1 ZINC000122307562 177361110 /nfs/dbraw/zinc/36/11/10/177361110.db2.gz ZROPDWXAVBUZMA-CMPLNLGQSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCC(C)(C)[NH+](C)C ZINC000036908112 177368970 /nfs/dbraw/zinc/36/89/70/177368970.db2.gz DZOSUHWCFLDIIK-AGIUHOORSA-N 2 0 241.423 1.645 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C2CCC([NH3+])CC2)c2nccn21 ZINC000329257055 177369772 /nfs/dbraw/zinc/36/97/72/177369772.db2.gz DUPKSXVPPMPCLD-XKGSQUFQSA-N 2 0 234.347 1.748 20 0 BDADRP COC[C@]1(C)CC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000487046474 225283954 /nfs/dbraw/zinc/28/39/54/225283954.db2.gz QHQMUAURKRZCIL-ZIAGYGMSSA-N 2 0 240.391 1.829 20 0 BDADRP C[NH+](C)CCOCC[NH2+]C/C=C/c1ccncc1 ZINC000487569532 225314633 /nfs/dbraw/zinc/31/46/33/225314633.db2.gz GMTJUSWKFDWFHA-ONEGZZNKSA-N 2 0 249.358 1.263 20 0 BDADRP C[C@H]1C[C@@H]1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000488333626 225374536 /nfs/dbraw/zinc/37/45/36/225374536.db2.gz OUBMOWAWBDDWAS-WCQYABFASA-N 2 0 210.365 1.916 20 0 BDADRP COCCC[NH+]1CCC([NH2+]C[C@@H]2C[C@@H]2C)CC1 ZINC000488440324 225398038 /nfs/dbraw/zinc/39/80/38/225398038.db2.gz PWBRGAXZZHAIGV-STQMWFEESA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H]([NH2+]C[C@]1(C)CCOC1)[C@@H]1CCC[NH2+]1 ZINC000400323020 226340369 /nfs/dbraw/zinc/34/03/69/226340369.db2.gz ALJWLHPLVNZKSY-SRVKXCTJSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCCSC1)[C@@H]1CCC[NH2+]1 ZINC000400345736 226341276 /nfs/dbraw/zinc/34/12/76/226341276.db2.gz IVLLSZTVJVCXQI-TUAOUCFPSA-N 2 0 228.405 1.860 20 0 BDADRP COCC1(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)CCC1 ZINC000400491938 226344938 /nfs/dbraw/zinc/34/49/38/226344938.db2.gz ZNEWWMCLJDQVCZ-NEPJUHHUSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400770004 226351634 /nfs/dbraw/zinc/35/16/34/226351634.db2.gz ZZHMEQGNZCZOEZ-UTUOFQBUSA-N 2 0 214.353 1.125 20 0 BDADRP C[C@H]([NH2+]CCC[C@H]1CCOC1)[C@H]1CCCC[NH2+]1 ZINC000402005457 226364330 /nfs/dbraw/zinc/36/43/30/226364330.db2.gz QJWCYJUMVYYGKB-MELADBBJSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H]([NH2+]CCC[C@H]1CCOC1)[C@@H]1CCC[NH2+]1 ZINC000402174319 226366402 /nfs/dbraw/zinc/36/64/02/226366402.db2.gz XPRADVCYWJSPAB-AVGNSLFASA-N 2 0 226.364 1.533 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cccc(O)c2)C1 ZINC000335588914 487653079 /nfs/dbraw/zinc/65/30/79/487653079.db2.gz AFQXEGQMDSYAEI-NEPJUHHUSA-N 2 0 220.316 1.752 20 0 BDADRP CC(C)[C@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000383730593 487669151 /nfs/dbraw/zinc/66/91/51/487669151.db2.gz GXJQXRSTCRLFRZ-UONOGXRCSA-N 2 0 242.407 1.808 20 0 BDADRP Cn1cncc1CCC[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000314870753 487669210 /nfs/dbraw/zinc/66/92/10/487669210.db2.gz KHUXQGWFOYXQBT-ZDUSSCGKSA-N 2 0 236.363 1.023 20 0 BDADRP CC[N@H+](CCOCC[NH3+])Cc1ccc(C)cc1 ZINC000383744751 487669728 /nfs/dbraw/zinc/66/97/28/487669728.db2.gz CVHIJOMKRLISAV-UHFFFAOYSA-N 2 0 236.359 1.792 20 0 BDADRP CO[C@H]1C[C@@H]([N@H+](C)CC[C@@H]2CCC[NH+]2C)C1 ZINC000510091831 229290901 /nfs/dbraw/zinc/29/09/01/229290901.db2.gz JHCWCILQXFMPTC-RWMBFGLXSA-N 2 0 226.364 1.580 20 0 BDADRP CCCC1(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000232965013 487677169 /nfs/dbraw/zinc/67/71/69/487677169.db2.gz ACLOCXVPYOBQSN-CYBMUJFWSA-N 2 0 240.391 1.613 20 0 BDADRP C[C@H](C[NH2+]C[C@H]1CNCCO1)C(C)(C)C ZINC000163016366 487678627 /nfs/dbraw/zinc/67/86/27/487678627.db2.gz SIJDVWXZAMZENZ-GHMZBOCLSA-N 2 0 214.353 1.247 20 0 BDADRP C[NH+]1CCC(C[NH2+]Cc2ccon2)CC1 ZINC000088052509 487696387 /nfs/dbraw/zinc/69/63/87/487696387.db2.gz KQYRAFVGNQKLRH-UHFFFAOYSA-N 2 0 209.293 1.106 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CSC[C@@H]1C ZINC000398012110 262941998 /nfs/dbraw/zinc/94/19/98/262941998.db2.gz ZBEBQTXSNVTIPP-AEJSXWLSSA-N 2 0 202.367 1.455 20 0 BDADRP CCCN1CC[C@H]([NH2+]C[C@@H](C)COC)C1 ZINC000328533597 487707253 /nfs/dbraw/zinc/70/72/53/487707253.db2.gz ZCVQBORUDPGVQN-NEPJUHHUSA-N 2 0 214.353 1.343 20 0 BDADRP COC(=O)[C@@H]1CCC[C@H]([N@H+](C)C[C@H](C)C[NH3+])C1 ZINC001172604060 974880638 /nfs/dbraw/zinc/88/06/38/974880638.db2.gz RLANPTHOCBWHRP-UTUOFQBUSA-N 2 0 242.363 1.245 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H](C)COC)CC[C@@H]1[NH3+] ZINC000163550965 487744694 /nfs/dbraw/zinc/74/46/94/487744694.db2.gz GAWKFIDWUXGHQU-UTUOFQBUSA-N 2 0 214.353 1.328 20 0 BDADRP C([C@H]1CC[NH2+]C1)[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000226437338 487745548 /nfs/dbraw/zinc/74/55/48/487745548.db2.gz QIUDWHZECUGZQK-AVGNSLFASA-N 2 0 208.349 1.860 20 0 BDADRP COCC[C@@H](C)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000666193978 487754200 /nfs/dbraw/zinc/75/42/00/487754200.db2.gz UEENTSSQYAYZBS-CHWSQXEVSA-N 2 0 242.407 1.979 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000649506810 487756938 /nfs/dbraw/zinc/75/69/38/487756938.db2.gz YBPACYVAVNSOBE-ZIAGYGMSSA-N 2 0 237.391 1.251 20 0 BDADRP C[N@H+](CCOCc1ccccc1)C1CC[NH2+]CC1 ZINC000309869225 487775565 /nfs/dbraw/zinc/77/55/65/487775565.db2.gz GGWBMIAHHBPVOQ-UHFFFAOYSA-N 2 0 248.370 1.887 20 0 BDADRP CC[C@H]1C[N@H+](CCOC(C)C)CC[C@H]1[NH3+] ZINC000251645155 487780733 /nfs/dbraw/zinc/78/07/33/487780733.db2.gz GEUNXQUJZSVHMC-NWDGAFQWSA-N 2 0 214.353 1.471 20 0 BDADRP C[NH2+][C@H](C)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000414997019 487790545 /nfs/dbraw/zinc/79/05/45/487790545.db2.gz YBFDRJGHHBWMRQ-KXNHARMFSA-N 2 0 224.348 1.142 20 0 BDADRP CO[C@H](C[NH2+]CCC[N@H+](C)C(C)C)C1CC1 ZINC000400290434 487791331 /nfs/dbraw/zinc/79/13/31/487791331.db2.gz WCXXIZXEBQALPM-CYBMUJFWSA-N 2 0 228.380 1.731 20 0 BDADRP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H]2CCCOC2)C1 ZINC000674302635 487800348 /nfs/dbraw/zinc/80/03/48/487800348.db2.gz PNFIHLNQHSXBOC-UONOGXRCSA-N 2 0 240.391 1.829 20 0 BDADRP [NH3+]CCC[NH+]1CCC(n2cc(Cl)cn2)CC1 ZINC000414710092 487818900 /nfs/dbraw/zinc/81/89/00/487818900.db2.gz KVQPXYMWEKANIF-UHFFFAOYSA-N 2 0 242.754 1.522 20 0 BDADRP CC(C)c1ccc([C@@H]([NH3+])CNCCC[NH3+])cc1 ZINC000414835349 487824946 /nfs/dbraw/zinc/82/49/46/487824946.db2.gz RPISDUKBNHRDFM-AWEZNQCLSA-N 2 0 235.375 1.748 20 0 BDADRP COC[C@H](CC(C)C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000414925782 487829409 /nfs/dbraw/zinc/82/94/09/487829409.db2.gz MDAORNQLVBOIFF-AVGNSLFASA-N 2 0 228.380 1.907 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@H]1O)C1CC[NH+](C)CC1 ZINC000252729596 487831129 /nfs/dbraw/zinc/83/11/29/487831129.db2.gz HJSBNGXIRNZNTA-CYZMBNFOSA-N 2 0 226.364 1.220 20 0 BDADRP CCCC[C@H](CC)CC[N@H+](C)C[C@@H](O)C[NH3+] ZINC000415073879 487835894 /nfs/dbraw/zinc/83/58/94/487835894.db2.gz ZAWXBHTUOKYVFL-STQMWFEESA-N 2 0 230.396 1.844 20 0 BDADRP CCCC[C@@H](CC)CC[N@H+](C)C[C@H](O)C[NH3+] ZINC000415073874 487836734 /nfs/dbraw/zinc/83/67/34/487836734.db2.gz ZAWXBHTUOKYVFL-CHWSQXEVSA-N 2 0 230.396 1.844 20 0 BDADRP [NH3+]CCC[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000415090994 487837106 /nfs/dbraw/zinc/83/71/06/487837106.db2.gz YLVCLMUEJHWPDC-CYBMUJFWSA-N 2 0 233.359 1.451 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN(CCO)CC(C)(C)C ZINC000666639265 487849393 /nfs/dbraw/zinc/84/93/93/487849393.db2.gz WIOXMNLGSVIXMK-GFCCVEGCSA-N 2 0 230.396 1.700 20 0 BDADRP C[C@H]1C[C@@H](C[N@H+](CCO)CC(C)(C)C)CC[NH2+]1 ZINC000666639247 487849829 /nfs/dbraw/zinc/84/98/29/487849829.db2.gz PNDQFFNPYSWVBI-STQMWFEESA-N 2 0 242.407 1.715 20 0 BDADRP C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CCC[NH3+] ZINC000666654516 487851601 /nfs/dbraw/zinc/85/16/01/487851601.db2.gz LVDCRDHVOGZZBC-RKDXNWHRSA-N 2 0 224.270 1.998 20 0 BDADRP [NH3+]C1CC[NH+](CCOCc2ccccc2)CC1 ZINC000307688065 487857904 /nfs/dbraw/zinc/85/79/04/487857904.db2.gz GDFUFZMIBKBWOM-UHFFFAOYSA-N 2 0 234.343 1.626 20 0 BDADRP [NH3+]CCC[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000666705194 487862598 /nfs/dbraw/zinc/86/25/98/487862598.db2.gz KADMRYOFHIKCND-LBPRGKRZSA-N 2 0 212.337 1.084 20 0 BDADRP CC[N@@H+]1CC[C@H](NC[C@H]2CCCC[NH2+]2)[C@@H](C)C1 ZINC000666770363 487876112 /nfs/dbraw/zinc/87/61/12/487876112.db2.gz WECUXOKXTGYLNL-MJBXVCDLSA-N 2 0 239.407 1.448 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1Cc2ccccc21 ZINC000234792791 487878679 /nfs/dbraw/zinc/87/86/79/487878679.db2.gz PHLVKEUOXFDQEN-KGLIPLIRSA-N 2 0 248.370 1.670 20 0 BDADRP c1nc2ccccn2c1CN[C@@H]1CCC[NH2+]C1 ZINC000666812442 487884702 /nfs/dbraw/zinc/88/47/02/487884702.db2.gz XFNUSKNLMIYTEG-LLVKDONJSA-N 2 0 230.315 1.176 20 0 BDADRP C[C@@H](CN1CCN(C)C[C@H]1C[NH3+])C(C)(C)C ZINC000304319420 487886362 /nfs/dbraw/zinc/88/63/62/487886362.db2.gz RUIWZQFQILSUFU-NWDGAFQWSA-N 2 0 227.396 1.243 20 0 BDADRP Cc1ccc(O)c(C[NH2+][C@H]2CCC[NH2+]CC2)n1 ZINC000666855335 487891153 /nfs/dbraw/zinc/89/11/53/487891153.db2.gz NAIMKAWMVQKWDW-NSHDSACASA-N 2 0 235.331 1.327 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)N[C@@H]1CCC[NH2+]CC1 ZINC000666859005 487893299 /nfs/dbraw/zinc/89/32/99/487893299.db2.gz UZOJQBBVVRFYJP-JHJVBQTASA-N 2 0 225.380 1.249 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1CCC[NH2+]CC1 ZINC000666859006 487893057 /nfs/dbraw/zinc/89/30/57/487893057.db2.gz UZOJQBBVVRFYJP-UPJWGTAASA-N 2 0 225.380 1.249 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@@H]1CCC[NH2+][C@@H]1C ZINC000925715148 646440223 /nfs/dbraw/zinc/44/02/23/646440223.db2.gz FBHJARGKRRLPIX-IJLUTSLNSA-N 3 0 213.369 1.090 20 0 BDADRP C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666954543 487916119 /nfs/dbraw/zinc/91/61/19/487916119.db2.gz XSNBUBKGBWCBPA-IJLUTSLNSA-N 2 0 208.349 1.907 20 0 BDADRP C[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995076 487921554 /nfs/dbraw/zinc/92/15/54/487921554.db2.gz CFXGZKQQPYSSNE-SDDRHHMPSA-N 2 0 224.348 1.428 20 0 BDADRP C[C@@H]1CC[N@H+](CC2(F)CC2)C[C@@H]1C[NH3+] ZINC000667040111 487933636 /nfs/dbraw/zinc/93/36/36/487933636.db2.gz OBOGBXBPVBRPLN-ZJUUUORDSA-N 2 0 200.301 1.405 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000126177674 323002997 /nfs/dbraw/zinc/00/29/97/323002997.db2.gz QMVCRHJAVNNVQL-JSGCOSHPSA-N 3 0 239.407 1.401 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C(C)(C)O)CC[N@@H+]1C ZINC000393600199 323028849 /nfs/dbraw/zinc/02/88/49/323028849.db2.gz PYDJHCYUHRDNTO-VXGBXAGGSA-N 2 0 242.407 1.856 20 0 BDADRP C[C@H](O)[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000562746408 323029878 /nfs/dbraw/zinc/02/98/78/323029878.db2.gz HDPUDQOASUMIKH-XJFOESAGSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CS1 ZINC000306873751 323032665 /nfs/dbraw/zinc/03/26/65/323032665.db2.gz YHVBKUSZKZTBLS-DBIOUOCHSA-N 2 0 214.378 1.740 20 0 BDADRP CC[NH2+]CCCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000562956240 323035022 /nfs/dbraw/zinc/03/50/22/323035022.db2.gz KRWXDGVYENDZEO-YNEHKIRRSA-N 2 0 227.396 1.304 20 0 BDADRP CC1=CC[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000569833051 323041940 /nfs/dbraw/zinc/04/19/40/323041940.db2.gz ODYLUMLUTGRODZ-KGLIPLIRSA-N 2 0 238.375 1.532 20 0 BDADRP CS[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000570274619 323054606 /nfs/dbraw/zinc/05/46/06/323054606.db2.gz UXQQIRAUNFEBKI-IJLUTSLNSA-N 2 0 228.405 1.812 20 0 BDADRP CC(C)[C@H]1C[C@@H]([NH2+]CC2CC[NH2+]CC2)CCO1 ZINC000570388893 323058017 /nfs/dbraw/zinc/05/80/17/323058017.db2.gz MMYQBJMORFNVPW-UONOGXRCSA-N 2 0 240.391 1.779 20 0 BDADRP CC(C)[C@H]1C[C@H]([NH2+]CC2CC[NH2+]CC2)CCO1 ZINC000570388894 323058133 /nfs/dbraw/zinc/05/81/33/323058133.db2.gz MMYQBJMORFNVPW-ZIAGYGMSSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H](C)C2C[NH2+]C2)cc1 ZINC000570630813 323065329 /nfs/dbraw/zinc/06/53/29/323065329.db2.gz VWFBNIRXDLOJKJ-VHSXEESVSA-N 2 0 247.342 1.500 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@H](C)C2C[NH2+]C2)cc1 ZINC000570630811 323065397 /nfs/dbraw/zinc/06/53/97/323065397.db2.gz VWFBNIRXDLOJKJ-NXEZZACHSA-N 2 0 247.342 1.500 20 0 BDADRP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000570792709 323070440 /nfs/dbraw/zinc/07/04/40/323070440.db2.gz ISTRILRJFAXBCM-WHOHXGKFSA-N 2 0 226.364 1.395 20 0 BDADRP CC[C@H](O)C[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000562986390 323078089 /nfs/dbraw/zinc/07/80/89/323078089.db2.gz AOZBHASZZYPTNX-AWEZNQCLSA-N 2 0 242.407 1.859 20 0 BDADRP CCC[C@H](C)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000390072374 323083328 /nfs/dbraw/zinc/08/33/28/323083328.db2.gz OGTCKSLCNPFMOB-WDEREUQCSA-N 2 0 200.326 1.143 20 0 BDADRP C[NH2+]Cc1ccccc1NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000563146491 323095473 /nfs/dbraw/zinc/09/54/73/323095473.db2.gz ZOYYTCCWFDKYJR-PHIMTYICSA-N 2 0 233.315 1.082 20 0 BDADRP C[N@H+](CCOCC[NH3+])[C@@H]1CCCc2ccccc21 ZINC000571047214 323105334 /nfs/dbraw/zinc/10/53/34/323105334.db2.gz LIDMSJBCFUYLFA-OAHLLOKOSA-N 2 0 248.370 1.971 20 0 BDADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)C1CC1 ZINC000531685958 323111195 /nfs/dbraw/zinc/11/11/95/323111195.db2.gz ZFQJWMLSFYWUCI-ZDUSSCGKSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)[C@@H](C)O1 ZINC000563423631 323124195 /nfs/dbraw/zinc/12/41/95/323124195.db2.gz HRXLUPGPCDOHRH-NJMOYASZSA-N 2 0 226.364 1.659 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([N@@H+]2CCC[C@@]3(CCOC3)C2)C1 ZINC000563550487 323129944 /nfs/dbraw/zinc/12/99/44/323129944.db2.gz ZZLVZLJMRMCSGH-HZSPNIEDSA-N 2 0 238.375 1.759 20 0 BDADRP CCC[C@@H]1CCCC[N@@H+]1C[C@H](O)CN(C)CC ZINC000310391820 323130917 /nfs/dbraw/zinc/13/09/17/323130917.db2.gz LDBXPCXUBMPYDC-ZIAGYGMSSA-N 2 0 242.407 1.954 20 0 BDADRP CC[C@H](O)C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000571158363 323136879 /nfs/dbraw/zinc/13/68/79/323136879.db2.gz GDTCHPVFXRTYLB-TUAOUCFPSA-N 2 0 214.353 1.220 20 0 BDADRP CCNC(=O)C(C)(C)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000571417976 323144453 /nfs/dbraw/zinc/14/44/53/323144453.db2.gz QFJBDVOSNPIHJK-QWRGUYRKSA-N 2 0 241.379 1.008 20 0 BDADRP C[NH2+]CCCN(C)C(=O)c1ccc2c[nH+]cn2c1 ZINC000571640724 323150501 /nfs/dbraw/zinc/15/05/01/323150501.db2.gz PGVZNRLELQSDEY-UHFFFAOYSA-N 2 0 246.314 1.016 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCCN(CC[NH2+]C(C)(C)C)C1 ZINC000414659026 323151063 /nfs/dbraw/zinc/15/10/63/323151063.db2.gz MGHNMIRFCRPCOE-RYUDHWBXSA-N 2 0 227.396 1.434 20 0 BDADRP CC[C@@H](O)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000305064676 323166948 /nfs/dbraw/zinc/16/69/48/323166948.db2.gz HMNYCHOQBYGULE-UPJWGTAASA-N 2 0 228.380 1.419 20 0 BDADRP CCOCC[NH+]1CCC(Nc2ccccn2)CC1 ZINC000535576099 323186249 /nfs/dbraw/zinc/18/62/49/323186249.db2.gz PULWLIRZTSEJKH-UHFFFAOYSA-N 2 0 249.358 1.994 20 0 BDADRP C[C@H](O)C[C@H](C)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000398564307 323186689 /nfs/dbraw/zinc/18/66/89/323186689.db2.gz NGNURYYVFSOICH-CYDGBPFRSA-N 2 0 228.380 1.514 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000398566650 323186740 /nfs/dbraw/zinc/18/67/40/323186740.db2.gz DSOIASNLXATGBD-REWJHTLYSA-N 2 0 242.407 1.856 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCC(C)(C)CO ZINC000395120049 323187834 /nfs/dbraw/zinc/18/78/34/323187834.db2.gz GHAXBXIBFPAYCJ-AGIUHOORSA-N 2 0 242.407 1.713 20 0 BDADRP C[C@H](CCCO)[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000395138426 323188816 /nfs/dbraw/zinc/18/88/16/323188816.db2.gz SZFQEZXVJQQKNT-IJLUTSLNSA-N 2 0 214.353 1.268 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccccc1CO ZINC000532208076 323209721 /nfs/dbraw/zinc/20/97/21/323209721.db2.gz HXUSPCWQAHRVJE-SWLSCSKDSA-N 2 0 248.370 1.609 20 0 BDADRP C[C@@H]1[C@H]([NH2+][C@@H]2COC(C)(C)C2)CCCN1C ZINC000418015219 323313807 /nfs/dbraw/zinc/31/38/07/323313807.db2.gz YSBFYPOBNCXZSO-GRYCIOLGSA-N 2 0 226.364 1.626 20 0 BDADRP CC[C@H]1C[C@H](C[NH2+]C2CC([NH+](C)C)C2)CCO1 ZINC000563976584 323337992 /nfs/dbraw/zinc/33/79/92/323337992.db2.gz RFOODVBIYCMHBH-RYSNWHEDSA-N 2 0 240.391 1.874 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C2CCCCC2)C1 ZINC000572899626 323632910 /nfs/dbraw/zinc/63/29/10/323632910.db2.gz FYAHORDHFBIJNY-HZSPNIEDSA-N 2 0 240.391 1.787 20 0 BDADRP C[NH2+]CCCNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000121327484 324011099 /nfs/dbraw/zinc/01/10/99/324011099.db2.gz HRIRHKUDUGVRSG-NWDGAFQWSA-N 2 0 241.379 1.010 20 0 BDADRP COC[C@@H](C)C[NH2+][C@H](C)CC[NH+](C)C ZINC000123177642 324093990 /nfs/dbraw/zinc/09/39/90/324093990.db2.gz YLNIYNYQAYOJIY-WDEREUQCSA-N 2 0 202.342 1.199 20 0 BDADRP CC1(C)CC(C[NH+]2CCC(O)(C[NH3+])CC2)C1 ZINC000530219989 324537886 /nfs/dbraw/zinc/53/78/86/324537886.db2.gz AMUJMPLPUBMQNN-UHFFFAOYSA-N 2 0 226.364 1.208 20 0 BDADRP CC1(C)CC(C[NH2+]C2(CO)CC[NH2+]CC2)C1 ZINC000530222271 324541462 /nfs/dbraw/zinc/54/14/62/324541462.db2.gz HSOHPBCBHMHDJS-UHFFFAOYSA-N 2 0 226.364 1.127 20 0 BDADRP CC[C@@H]([NH3+])C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000130526042 325063001 /nfs/dbraw/zinc/06/30/01/325063001.db2.gz GLCSOLLWJFDPDN-GHMZBOCLSA-N 2 0 243.395 1.206 20 0 BDADRP COC[C@@H](C)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000132170549 325202790 /nfs/dbraw/zinc/20/27/90/325202790.db2.gz IZHGSCWERFBUIC-LBPRGKRZSA-N 2 0 244.379 1.099 20 0 BDADRP COC[C@@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000075645010 325304978 /nfs/dbraw/zinc/30/49/78/325304978.db2.gz WJRUIVSQINBIOP-GFCCVEGCSA-N 2 0 228.380 1.685 20 0 BDADRP CC[C@H](C)[C@H](C)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000247075791 325585805 /nfs/dbraw/zinc/58/58/05/325585805.db2.gz QLXDCDQDUNHYGQ-IHRRRGAJSA-N 2 0 241.423 1.647 20 0 BDADRP COC[C@H](C)C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000249844137 325661674 /nfs/dbraw/zinc/66/16/74/325661674.db2.gz OCZXDXDMYYNSIC-FRRDWIJNSA-N 2 0 228.380 1.731 20 0 BDADRP CC1(c2nc(-c3ccc(C[NH3+])cc3)no2)C[NH2+]C1 ZINC000564655470 325801264 /nfs/dbraw/zinc/80/12/64/325801264.db2.gz KVQKJOABDDJSFC-UHFFFAOYSA-N 2 0 244.298 1.056 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@H]1F)[C@H]1CCC[NH2+]C1 ZINC000564823080 325812787 /nfs/dbraw/zinc/81/27/87/325812787.db2.gz PTBMRXCRDDZHCS-YFKTTZPYSA-N 2 0 214.328 1.855 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@@H]2C(F)F)C1 ZINC000565430158 325910414 /nfs/dbraw/zinc/91/04/14/325910414.db2.gz CQTFCUVBAVTZIH-HXFLIBJXSA-N 2 0 204.264 1.500 20 0 BDADRP C[C@@]1(C[NH2+][C@@H]2CCc3cc(N)ccc32)CC[NH2+]C1 ZINC000565608785 325935183 /nfs/dbraw/zinc/93/51/83/325935183.db2.gz IXQCIJVWNWUOBH-HUUCEWRRSA-N 2 0 245.370 1.845 20 0 BDADRP CC(C)[NH2+]CCC[NH2+][C@H]1CCCSC1 ZINC000566088188 325992160 /nfs/dbraw/zinc/99/21/60/325992160.db2.gz BQCRHNDWHGOOSO-NSHDSACASA-N 2 0 216.394 1.860 20 0 BDADRP C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000566245027 326022461 /nfs/dbraw/zinc/02/24/61/326022461.db2.gz XIXDRVJDWJVSFN-BXUZGUMPSA-N 2 0 233.359 1.185 20 0 BDADRP CCCCNC(=O)CC[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000566411894 326041005 /nfs/dbraw/zinc/04/10/05/326041005.db2.gz MSQJWVGNFLCSCG-NWDGAFQWSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@H]1C[C@@H]([NH3+])CCN1CC[NH2+]C(C)(C)C ZINC000566411512 326041396 /nfs/dbraw/zinc/04/13/96/326041396.db2.gz GZLZYHVAOKMDAR-QWRGUYRKSA-N 2 0 213.369 1.186 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000566423170 326044399 /nfs/dbraw/zinc/04/43/99/326044399.db2.gz BZAKABKPWMNPFX-UTUOFQBUSA-N 2 0 226.364 1.220 20 0 BDADRP C/C=C/C[C@H](CO)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000566481536 326055704 /nfs/dbraw/zinc/05/57/04/326055704.db2.gz IJQGSRAJXPQXNK-FBUKTIRESA-N 2 0 212.337 1.173 20 0 BDADRP c1nc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)co1 ZINC000566678678 326073620 /nfs/dbraw/zinc/07/36/20/326073620.db2.gz HUTUVBAVGQGXMM-NEPJUHHUSA-N 2 0 235.331 1.496 20 0 BDADRP C[N@@H+]1CCC[C@]2(CCN(Cc3cnccn3)C2)C1 ZINC000566959576 326096751 /nfs/dbraw/zinc/09/67/51/326096751.db2.gz ZWGUBDGPRYXMRQ-AWEZNQCLSA-N 2 0 246.358 1.394 20 0 BDADRP CC[C@H](C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154405188 326142946 /nfs/dbraw/zinc/14/29/46/326142946.db2.gz NZSZYZHBTFLSTG-ZDUSSCGKSA-N 2 0 227.396 1.402 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CCn2ccnc2)[C@H](C)C1 ZINC000155670669 326206245 /nfs/dbraw/zinc/20/62/45/326206245.db2.gz RNZNXMYGKCKTEQ-OLZOCXBDSA-N 2 0 236.363 1.203 20 0 BDADRP CCCN(CC[NH+](C)C)C(=O)[C@H](CC)[NH+](C)C ZINC000156046608 326217500 /nfs/dbraw/zinc/21/75/00/326217500.db2.gz RTXUDKUWVCUYSK-LBPRGKRZSA-N 2 0 243.395 1.127 20 0 BDADRP Cc1ccc(C[NH+]2CCC(CC[NH3+])CC2)nc1 ZINC000156601278 326236314 /nfs/dbraw/zinc/23/63/14/326236314.db2.gz NZKREKWWTUIGQP-UHFFFAOYSA-N 2 0 233.359 1.951 20 0 BDADRP CCO[C@@H]1C[C@@H]1[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000567640423 326236756 /nfs/dbraw/zinc/23/67/56/326236756.db2.gz HXZIWSHHKDMQLM-FIQHERPVSA-N 2 0 212.337 1.142 20 0 BDADRP Cc1noc(C)c1CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000568247225 326333907 /nfs/dbraw/zinc/33/39/07/326333907.db2.gz FPHNJPZBQJCONE-VXGBXAGGSA-N 2 0 237.347 1.693 20 0 BDADRP CC(C)COCC[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000158915804 326346136 /nfs/dbraw/zinc/34/61/36/326346136.db2.gz BGXGHNSZHSOVAP-NEPJUHHUSA-N 2 0 214.353 1.471 20 0 BDADRP C[C@H](NCc1ccc(C[NH3+])cc1)[C@@H]1CCCC[NH2+]1 ZINC000568513281 326361939 /nfs/dbraw/zinc/36/19/39/326361939.db2.gz URMTXJORWKVYIT-WFASDCNBSA-N 2 0 247.386 1.766 20 0 BDADRP CCn1ccnc1C[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000568845352 326379019 /nfs/dbraw/zinc/37/90/19/326379019.db2.gz ZLACFFWDXWLDDV-RYUDHWBXSA-N 2 0 236.363 1.510 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@H](F)C1)[C@H]1CCC[NH2+]C1 ZINC000568856560 326379299 /nfs/dbraw/zinc/37/92/99/326379299.db2.gz XGGCWQYMVJIXDX-FIQHERPVSA-N 2 0 214.328 1.855 20 0 BDADRP Cc1ncc(C[NH2+][C@@H]2CCSC2)n1C ZINC000569021253 326387395 /nfs/dbraw/zinc/38/73/95/326387395.db2.gz RVFIWPDSQWFSJO-SECBINFHSA-N 2 0 211.334 1.324 20 0 BDADRP COCC1(C[NH2+][C@@H](C)CC[NH+](C)C)CCC1 ZINC000309523829 487984618 /nfs/dbraw/zinc/98/46/18/487984618.db2.gz AVTOCBKPNXVNTL-LBPRGKRZSA-N 2 0 228.380 1.733 20 0 BDADRP C[C@@H]1C[C@@H]1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000488333625 533714462 /nfs/dbraw/zinc/71/44/62/533714462.db2.gz OUBMOWAWBDDWAS-DGCLKSJQSA-N 2 0 210.365 1.916 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](Cc2ccsc2)C1 ZINC000235709301 488010990 /nfs/dbraw/zinc/01/09/90/488010990.db2.gz SYRNWKRAJRAZSN-LLVKDONJSA-N 2 0 210.346 1.919 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401068001 488025008 /nfs/dbraw/zinc/02/50/08/488025008.db2.gz MDYQOSWEGOJVCF-KIJLLGNVSA-N 2 0 226.364 1.124 20 0 BDADRP COCC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401070061 488025198 /nfs/dbraw/zinc/02/51/98/488025198.db2.gz MUSLUYLWBZVUJM-ZDEQEGDKSA-N 2 0 226.364 1.389 20 0 BDADRP CC[C@@H](O)C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000229971297 488029258 /nfs/dbraw/zinc/02/92/58/488029258.db2.gz YSYJIDAWXDDHMJ-FRRDWIJNSA-N 2 0 228.380 1.658 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000656200678 488067100 /nfs/dbraw/zinc/06/71/00/488067100.db2.gz UFRNJRBXXMIVRV-HGCLJGPKSA-N 2 0 210.321 1.166 20 0 BDADRP Cc1nocc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000257656297 488077051 /nfs/dbraw/zinc/07/70/51/488077051.db2.gz FLILDQZGJTYNGZ-UHFFFAOYSA-N 2 0 235.331 1.559 20 0 BDADRP CCC(CC)(C[NH3+])C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000236680394 488080631 /nfs/dbraw/zinc/08/06/31/488080631.db2.gz ASUHHEPKQXTRAQ-LLVKDONJSA-N 2 0 241.379 1.010 20 0 BDADRP C[C@H](CO)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000121056242 490074653 /nfs/dbraw/zinc/07/46/53/490074653.db2.gz ACBLEKYSOAQDEA-UONOGXRCSA-N 2 0 240.391 1.423 20 0 BDADRP Cc1ccc(CN2CC[C@@]3(C2)CCC[NH2+]C3)cn1 ZINC000257703302 488084609 /nfs/dbraw/zinc/08/46/09/488084609.db2.gz QPTCCCWZMYXFTH-HNNXBMFYSA-N 2 0 245.370 1.966 20 0 BDADRP C[NH2+]C[C@H]1CCCCN1C(=O)CCC(C)(C)[NH3+] ZINC001332033684 974926828 /nfs/dbraw/zinc/92/68/28/974926828.db2.gz YUMWKZYMTZZMHN-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP CC[NH2+]Cc1ccccc1NC(=O)CC(C)(C)[NH3+] ZINC000237028482 488101777 /nfs/dbraw/zinc/10/17/77/488101777.db2.gz JBBDSSOYKXPWBR-UHFFFAOYSA-N 2 0 249.358 1.862 20 0 BDADRP C[C@@]1(C(=O)Nc2cccc(C[NH3+])c2)CCC[NH2+]1 ZINC000669508385 488109274 /nfs/dbraw/zinc/10/92/74/488109274.db2.gz QTNXIXWPZRAIBN-ZDUSSCGKSA-N 2 0 233.315 1.226 20 0 BDADRP [NH3+]Cc1cccc(NC(=O)C[C@@H]2CCC[NH2+]2)c1 ZINC000669508326 488109031 /nfs/dbraw/zinc/10/90/31/488109031.db2.gz HEFJUKDMWZEJPV-NSHDSACASA-N 2 0 233.315 1.226 20 0 BDADRP CC(C)(C)CCC[NH+]1CCC(O)(C[NH3+])CC1 ZINC000397006932 487536991 /nfs/dbraw/zinc/53/69/91/487536991.db2.gz CPRPVQVESCHTNA-UHFFFAOYSA-N 2 0 228.380 1.598 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000683110602 488111775 /nfs/dbraw/zinc/11/17/75/488111775.db2.gz QEUXKKANXXWWJI-CHWSQXEVSA-N 2 0 239.407 1.258 20 0 BDADRP C[C@@H]1C[C@H]1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000683110341 488111969 /nfs/dbraw/zinc/11/19/69/488111969.db2.gz MLPJNRMKPAOPIS-OLZOCXBDSA-N 2 0 231.343 1.860 20 0 BDADRP C[C@@H]([NH2+]CC[C@H](C)CCO)C1CC[NH+](C)CC1 ZINC000397618516 488124692 /nfs/dbraw/zinc/12/46/92/488124692.db2.gz FTYSIFRJWTURIY-QWHCGFSZSA-N 2 0 242.407 1.715 20 0 BDADRP CCc1nn(C)cc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000168659064 487537489 /nfs/dbraw/zinc/53/74/89/487537489.db2.gz MLFFPYOOVVXBSS-VXGBXAGGSA-N 2 0 236.363 1.342 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000667819320 488128104 /nfs/dbraw/zinc/12/81/04/488128104.db2.gz TXAAKVZIUQLUAG-QWHCGFSZSA-N 2 0 226.364 1.485 20 0 BDADRP CCOc1ccc(C[NH2+]CCC[NH3+])cc1F ZINC000258755195 488132596 /nfs/dbraw/zinc/13/25/96/488132596.db2.gz MOFTYTBVJNXNGL-UHFFFAOYSA-N 2 0 226.295 1.663 20 0 BDADRP C[N@H+](CC[C@@H]1CCCC[NH+]1C)[C@H]1CCCOC1 ZINC000674301349 487552957 /nfs/dbraw/zinc/55/29/57/487552957.db2.gz ATRFVRKKGGZQGT-KBPBESRZSA-N 2 0 240.391 1.972 20 0 BDADRP CC[N@H+](C[C@@H]1CCOC1)CC1CC[NH2+]CC1 ZINC000086701874 487532904 /nfs/dbraw/zinc/53/29/04/487532904.db2.gz IGXWMRDLULNTGC-ZDUSSCGKSA-N 2 0 226.364 1.344 20 0 BDADRP CC[N@H+](CC1CC[NH2+]CC1)[C@@H]1CCCOC1 ZINC000086701918 487532922 /nfs/dbraw/zinc/53/29/22/487532922.db2.gz MQAUNCGFVOKJBD-CYBMUJFWSA-N 2 0 226.364 1.487 20 0 BDADRP CC[C@H](C)C[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000227702554 487471251 /nfs/dbraw/zinc/47/12/51/487471251.db2.gz YEFDFEMXLICZAT-BFHYXJOUSA-N 2 0 242.407 1.857 20 0 BDADRP COCCCC[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000380970665 487492159 /nfs/dbraw/zinc/49/21/59/487492159.db2.gz AJCQJQXYOZSLHL-STQMWFEESA-N 2 0 226.364 1.474 20 0 BDADRP CC[C@H](C)[N@H+](CC)C[C@@H](O)C[NH+](C)C(C)C ZINC000380976011 487492458 /nfs/dbraw/zinc/49/24/58/487492458.db2.gz BLDUSYGWDFCFBR-STQMWFEESA-N 2 0 230.396 1.808 20 0 BDADRP CC[C@@H](C)C[N@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000381070529 487494482 /nfs/dbraw/zinc/49/44/82/487494482.db2.gz ODOVMOSXVAJKIG-OLZOCXBDSA-N 2 0 230.396 1.665 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)CC(C)(C)C ZINC000381076397 487494817 /nfs/dbraw/zinc/49/48/17/487494817.db2.gz QDYXYRVERLXMME-GFCCVEGCSA-N 2 0 230.396 1.665 20 0 BDADRP CCC1(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)COC1 ZINC000393977123 487496052 /nfs/dbraw/zinc/49/60/52/487496052.db2.gz KLFKHZLZHCJAKM-QWRGUYRKSA-N 2 0 212.337 1.273 20 0 BDADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)o1 ZINC000086403990 487501052 /nfs/dbraw/zinc/50/10/52/487501052.db2.gz INFZPWIZCNPYRE-WDEREUQCSA-N 2 0 208.305 1.948 20 0 BDADRP CC(C)C[C@H](CO)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000040773281 487501642 /nfs/dbraw/zinc/50/16/42/487501642.db2.gz NTSMCJDKQCRKBY-CQSZACIVSA-N 2 0 242.407 1.856 20 0 BDADRP Cc1nocc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000662274255 487522751 /nfs/dbraw/zinc/52/27/51/487522751.db2.gz SJONQBIKAPVXBY-OLZOCXBDSA-N 2 0 249.358 1.805 20 0 BDADRP C[C@@H](O)C[N@H+](C)Cc1ccc(-n2ccnc2)nc1 ZINC000156308461 487559471 /nfs/dbraw/zinc/55/94/71/487559471.db2.gz LDRLCBROFKDMNJ-LLVKDONJSA-N 2 0 246.314 1.080 20 0 BDADRP CC(C)C1(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000232668549 487628729 /nfs/dbraw/zinc/62/87/29/487628729.db2.gz VBMWTGJYMFNHKY-CYBMUJFWSA-N 2 0 240.391 1.469 20 0 BDADRP CC[C@H]1C[C@@H]([NH2+]CCOCC[NH+](C)C)CCO1 ZINC000234061348 487758781 /nfs/dbraw/zinc/75/87/81/487758781.db2.gz QUUVMAAYDLIMHN-STQMWFEESA-N 2 0 244.379 1.112 20 0 BDADRP CC[C@@H]1C[C@H](C)C[N@@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000310489546 488032990 /nfs/dbraw/zinc/03/29/90/488032990.db2.gz FPGXFQRPQBHHPO-MJBXVCDLSA-N 2 0 242.407 1.808 20 0 BDADRP CNC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000222961319 488138182 /nfs/dbraw/zinc/13/81/82/488138182.db2.gz OMOQIKADIJFHSZ-UTUOFQBUSA-N 2 0 241.379 1.007 20 0 BDADRP C([NH2+][C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@@H]1CCCO1 ZINC000093451116 488156036 /nfs/dbraw/zinc/15/60/36/488156036.db2.gz YIWPBXNRFNDZNT-XUXIUFHCSA-N 2 0 238.375 1.676 20 0 BDADRP CC[C@@H]1CC[C@H](C)[N@@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000379920924 488158515 /nfs/dbraw/zinc/15/85/15/488158515.db2.gz QNWCNNYQSVTZPF-MJBXVCDLSA-N 2 0 242.407 1.950 20 0 BDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CC[NH+](C)CC2)C1 ZINC000677951162 488162708 /nfs/dbraw/zinc/16/27/08/488162708.db2.gz HBRUIRHJPMIXKH-OKILXGFUSA-N 2 0 239.407 1.212 20 0 BDADRP CC1(C)C[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400955634 488178340 /nfs/dbraw/zinc/17/83/40/488178340.db2.gz YHXINBABMAHPJV-KKOKHZNYSA-N 2 0 208.349 1.763 20 0 BDADRP C[N@H+](CC[C@H]1CCC[NH+]1C)C[C@@H](O)C1CC1 ZINC000678078390 488192931 /nfs/dbraw/zinc/19/29/31/488192931.db2.gz YFMNHFXIYORCQM-CHWSQXEVSA-N 2 0 226.364 1.173 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000398567909 488220838 /nfs/dbraw/zinc/22/08/38/488220838.db2.gz FFZADZIUADLCCN-CHWSQXEVSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@@H]([NH2+][C@H](CO)CC1CC1)C1CC[NH+](C)CC1 ZINC000678608583 488271818 /nfs/dbraw/zinc/27/18/18/488271818.db2.gz YFARDTKRYUPZFH-RISCZKNCSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C(C)(C)O ZINC000679016781 488303203 /nfs/dbraw/zinc/30/32/03/488303203.db2.gz QAMCKCDPMGORQG-LLVKDONJSA-N 2 0 240.391 1.610 20 0 BDADRP CCOCCC[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000049709343 488315961 /nfs/dbraw/zinc/31/59/61/488315961.db2.gz TVJQODNBKXKMBG-WDEREUQCSA-N 2 0 200.326 1.225 20 0 BDADRP COCCC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000684573887 488328146 /nfs/dbraw/zinc/32/81/46/488328146.db2.gz HGULRSXQTOZFIL-UHFFFAOYSA-N 2 0 249.358 1.630 20 0 BDADRP C[C@H](CCCCO)[NH2+]CCC1CC[NH+](C)CC1 ZINC000679339786 488341650 /nfs/dbraw/zinc/34/16/50/488341650.db2.gz OPQDUOFYZCFANM-CYBMUJFWSA-N 2 0 242.407 1.859 20 0 BDADRP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401013672 490181015 /nfs/dbraw/zinc/18/10/15/490181015.db2.gz HZOYQCGSRNMSFX-FDYHWXHSSA-N 2 0 240.391 1.514 20 0 BDADRP O[C@H](C[NH2+]CC1(C2CC2)CC1)C[NH+]1CCCC1 ZINC000236553045 490200535 /nfs/dbraw/zinc/20/05/35/490200535.db2.gz WZXOTCMCKZBYAI-CYBMUJFWSA-N 2 0 238.375 1.223 20 0 BDADRP Cc1cccc(CC[NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)n1 ZINC000415110869 490214851 /nfs/dbraw/zinc/21/48/51/490214851.db2.gz SYRFFYZOXKCUBM-ZIAGYGMSSA-N 2 0 247.386 1.910 20 0 BDADRP Cc1cc(C)cc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)c1 ZINC000313362369 490303581 /nfs/dbraw/zinc/30/35/81/490303581.db2.gz VGQNKWMUJLVUGW-HNNXBMFYSA-N 2 0 248.370 1.853 20 0 BDADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(O)cc2)CC[N@@H+]1C ZINC000130261143 490349540 /nfs/dbraw/zinc/34/95/40/490349540.db2.gz DEHGQQMMXMBRIL-WCQYABFASA-N 2 0 234.343 1.965 20 0 BDADRP COCc1ccc(C[N@H+](C)CC2CN(C)C2)cc1 ZINC000668539796 490357766 /nfs/dbraw/zinc/35/77/66/490357766.db2.gz MUFRTXZMENXEFU-UHFFFAOYSA-N 2 0 248.370 1.826 20 0 BDADRP C[N@H+](CCCc1ccccc1)C[C@H]1CNCCO1 ZINC000125434026 490432688 /nfs/dbraw/zinc/43/26/88/490432688.db2.gz XZOPPXIPFHKJLS-OAHLLOKOSA-N 2 0 248.370 1.539 20 0 BDADRP COC(C)(C)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000122301278 490483031 /nfs/dbraw/zinc/48/30/31/490483031.db2.gz IQJVTJUWHRDICB-NSHDSACASA-N 2 0 228.380 1.731 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000222586706 490648156 /nfs/dbraw/zinc/64/81/56/490648156.db2.gz AFWOLWRVEZNWDC-STQMWFEESA-N 2 0 242.407 1.715 20 0 BDADRP CC/C=C/C[NH2+][C@@H](CCC[NH3+])COC ZINC000394976880 491122880 /nfs/dbraw/zinc/12/28/80/491122880.db2.gz ULYUOSOYVXDYSM-ZWNMCFTASA-N 2 0 200.326 1.296 20 0 BDADRP CCC(O)(CC)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000087014779 491065362 /nfs/dbraw/zinc/06/53/62/491065362.db2.gz FVRWWCLJTWOGLD-GFCCVEGCSA-N 2 0 242.407 1.857 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000383740016 491090589 /nfs/dbraw/zinc/09/05/89/491090589.db2.gz IDYGMBAKTWMGNB-IHRRRGAJSA-N 2 0 240.391 1.419 20 0 BDADRP C[C@H](CO)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000228201130 491091666 /nfs/dbraw/zinc/09/16/66/491091666.db2.gz LMAWHYNLKLPDIC-RWMBFGLXSA-N 2 0 226.364 1.031 20 0 BDADRP C[NH+](C)[C@@H](CN[C@H]1CCCn2ccnc21)C1CC1 ZINC000655698165 491123936 /nfs/dbraw/zinc/12/39/36/491123936.db2.gz YEJHKIZQAYVVJU-STQMWFEESA-N 2 0 248.374 1.648 20 0 BDADRP C[N@@H+]1CCCC[C@H]1CCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090322372 491124403 /nfs/dbraw/zinc/12/44/03/491124403.db2.gz WEHLWPKLUSTSML-MJBXVCDLSA-N 2 0 237.391 1.012 20 0 BDADRP COCc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000090320295 491124438 /nfs/dbraw/zinc/12/44/38/491124438.db2.gz FIZXIZQFERQNDF-HUUCEWRRSA-N 2 0 246.354 1.484 20 0 BDADRP C[C@H]([NH2+]CC1(CO)CC1)C1CC[NH+](C)CC1 ZINC000132385600 491135537 /nfs/dbraw/zinc/13/55/37/491135537.db2.gz XDBBJOAWINCMGS-NSHDSACASA-N 2 0 226.364 1.079 20 0 BDADRP CC(C)OCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000134097352 491162010 /nfs/dbraw/zinc/16/20/10/491162010.db2.gz CWBGBTJRGSQOTH-LBPRGKRZSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCCOC1)[C@H]1CCC[NH2+]1 ZINC000400500453 533882836 /nfs/dbraw/zinc/88/28/36/533882836.db2.gz FTCKCYZVRBQGLB-SDDRHHMPSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CCO)CC2)[C@@H]1C ZINC000495065274 533945318 /nfs/dbraw/zinc/94/53/18/533945318.db2.gz JSHUSTFUWOUIPA-BZPMIXESSA-N 2 0 240.391 1.325 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)[C@@H](C)O1 ZINC000401000144 533964190 /nfs/dbraw/zinc/96/41/90/533964190.db2.gz BAZLEHLTFLIOJZ-UQPQVDFHSA-N 2 0 238.375 1.530 20 0 BDADRP CCOC(=O)CCCCC[NH+]1CCC([NH3+])CC1 ZINC000071293026 535624745 /nfs/dbraw/zinc/62/47/45/535624745.db2.gz GJDARTPNWSYKIX-UHFFFAOYSA-N 2 0 242.363 1.533 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@H]2CCOC2)C[C@H]1C[NH3+] ZINC000400597661 534032928 /nfs/dbraw/zinc/03/29/28/534032928.db2.gz DBCDWXPLOVPMTO-FRRDWIJNSA-N 2 0 226.364 1.330 20 0 BDADRP C[C@@H](C[NH2+][C@H]1C[C@@H](C)[C@H]1C)N1CC[NH+](C)CC1 ZINC000495077735 534086788 /nfs/dbraw/zinc/08/67/88/534086788.db2.gz GSXGEUBSYSRRPF-RQJABVFESA-N 2 0 239.407 1.256 20 0 BDADRP Cc1ccc(C[NH2+][C@H](C)CCCC[NH3+])nc1 ZINC000400834677 534088434 /nfs/dbraw/zinc/08/84/34/534088434.db2.gz SDXFUNOAIVMBPS-GFCCVEGCSA-N 2 0 221.348 1.997 20 0 BDADRP CC[C@@H]1CC[C@H]1[NH2+]CC1CC[NH+](CCO)CC1 ZINC000348103424 535824768 /nfs/dbraw/zinc/82/47/68/535824768.db2.gz BOVTTYSCUVMUID-ZIAGYGMSSA-N 2 0 240.391 1.469 20 0 BDADRP C[NH+](C)[C@H]1CCC[N@H+](C[C@@H]2CCCOC2)CC1 ZINC000336120968 536137869 /nfs/dbraw/zinc/13/78/69/536137869.db2.gz GRXLJLRHXGXXKA-KBPBESRZSA-N 2 0 240.391 1.829 20 0 BDADRP C[N@@H+]1CC[C@@H]2CCN(C[C@@]3(C)CC[NH2+]C3)[C@@H]2C1 ZINC000262092258 536463779 /nfs/dbraw/zinc/46/37/79/536463779.db2.gz UXJHUWIMMREQEG-MCIONIFRSA-N 2 0 237.391 1.012 20 0 BDADRP C[N@@H+](Cc1cccc2ccccc21)C[C@@H](O)C[NH3+] ZINC000259115947 536477356 /nfs/dbraw/zinc/47/73/56/536477356.db2.gz SUONAFSMSXPWAI-AWEZNQCLSA-N 2 0 244.338 1.591 20 0 BDADRP COC(C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)OC ZINC000220939802 536506891 /nfs/dbraw/zinc/50/68/91/536506891.db2.gz XYZZUAAJQZOZGK-NWDGAFQWSA-N 2 0 242.363 1.021 20 0 BDADRP COC[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173601058 536524543 /nfs/dbraw/zinc/52/45/43/536524543.db2.gz OCPOSKNVEZFTKM-ZIAGYGMSSA-N 2 0 240.391 1.829 20 0 BDADRP CC(C)COCCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400487267 528094758 /nfs/dbraw/zinc/09/47/58/528094758.db2.gz XXHRFEXKAUVOJB-OLZOCXBDSA-N 2 0 228.380 1.779 20 0 BDADRP CC1CC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000400914413 528163882 /nfs/dbraw/zinc/16/38/82/528163882.db2.gz GVHUSFWZUKWLCB-UVXZLIQYSA-N 2 0 208.349 1.763 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)N[C@H](C)CCCC[NH3+] ZINC000495100838 528970693 /nfs/dbraw/zinc/97/06/93/528970693.db2.gz KJFCALJUXXPCBF-MNOVXSKESA-N 2 0 229.368 1.138 20 0 BDADRP CCOC[C@H](C)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000160674644 528981272 /nfs/dbraw/zinc/98/12/72/528981272.db2.gz WSBVNXVEAYQISR-QWRGUYRKSA-N 2 0 200.326 1.143 20 0 BDADRP CC(C)[NH+]1CCC(N[C@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000400746038 529001535 /nfs/dbraw/zinc/00/15/35/529001535.db2.gz UMMJTXWOOXXQQH-TZMCWYRMSA-N 2 0 239.407 1.589 20 0 BDADRP CC[C@H]1C[C@@H](C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000479968677 529318136 /nfs/dbraw/zinc/31/81/36/529318136.db2.gz ZGVJIBLVZMDXFN-FQUUOJAGSA-N 2 0 238.375 1.343 20 0 BDADRP CC(C)([NH3+])C[N@@H+]1CCC2(C1)CCOCC2 ZINC000261538950 535197619 /nfs/dbraw/zinc/19/76/19/535197619.db2.gz ZZCDGAYZGOWRPP-UHFFFAOYSA-N 2 0 212.337 1.226 20 0 BDADRP CCCC[NH+](C)CC(O)C[N@@H+](C)CCCC ZINC000181767834 535211880 /nfs/dbraw/zinc/21/18/80/535211880.db2.gz QSKBHRSCWNEJLW-UHFFFAOYSA-N 2 0 230.396 1.811 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000342752433 535529153 /nfs/dbraw/zinc/52/91/53/535529153.db2.gz OVDAUHUMQALNDG-QWHCGFSZSA-N 2 0 241.379 1.010 20 0 BDADRP CCOCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250510402 535550717 /nfs/dbraw/zinc/55/07/17/535550717.db2.gz NOPXQGZKWNOZFH-BFHYXJOUSA-N 2 0 240.391 1.923 20 0 BDADRP CCOC(=O)C1CCC([NH2+]CC(C)(C)[NH3+])CC1 ZINC000261551308 535593805 /nfs/dbraw/zinc/59/38/05/535593805.db2.gz MBZUWKVVZJBGSO-UHFFFAOYSA-N 2 0 242.363 1.435 20 0 BDADRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H]2CCCO2)C1 ZINC000174214280 535597308 /nfs/dbraw/zinc/59/73/08/535597308.db2.gz CMIVFZVIOABZGP-KGLIPLIRSA-N 2 0 240.391 1.829 20 0 BDADRP CCC[C@H]([NH3+])C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000184169340 535675257 /nfs/dbraw/zinc/67/52/57/535675257.db2.gz VGWCOXHHDPCXRS-ZDUSSCGKSA-N 2 0 249.358 1.101 20 0 BDADRP CCC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000169028470 535679754 /nfs/dbraw/zinc/67/97/54/535679754.db2.gz ARWLCBATKZTKMI-SRVKXCTJSA-N 2 0 241.379 1.103 20 0 BDADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCCC[NH+](C)C ZINC000348343333 535697813 /nfs/dbraw/zinc/69/78/13/535697813.db2.gz UHQFQUFYHXJLOL-LBPRGKRZSA-N 2 0 243.395 1.221 20 0 BDADRP CCS[C@H]1CCCC[N@H+](C[C@@H](C)[NH3+])C1 ZINC000261535359 535724953 /nfs/dbraw/zinc/72/49/53/535724953.db2.gz OGZGUJBFNIAYER-MNOVXSKESA-N 2 0 216.394 1.941 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C2CCOCC2)[C@@H](C)C1 ZINC000222066888 535769090 /nfs/dbraw/zinc/76/90/90/535769090.db2.gz KCKGXXFGOCIMOI-AAEUAGOBSA-N 2 0 226.364 1.485 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000087362490 536091928 /nfs/dbraw/zinc/09/19/28/536091928.db2.gz DLHPQCCFQOVHGP-UPJWGTAASA-N 2 0 228.380 1.502 20 0 BDADRP C[NH+](C)[C@H]1CCCN(CC(C)(C)[NH3+])CC1 ZINC000261564386 536137102 /nfs/dbraw/zinc/13/71/02/536137102.db2.gz CLNZPJPXISOEAJ-NSHDSACASA-N 2 0 213.369 1.140 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCC[C@H]1CCO ZINC000348148507 536370429 /nfs/dbraw/zinc/37/04/29/536370429.db2.gz IOGQOOWDSSKADR-BFHYXJOUSA-N 2 0 240.391 1.611 20 0 BDADRP C[NH+]1[C@@H]2CC[C@H]1CC(NC[C@H]1CCC[N@H+]1C)C2 ZINC000248881129 536375026 /nfs/dbraw/zinc/37/50/26/536375026.db2.gz KPVJYQLYUFYEDH-WTUNAVPPSA-N 2 0 237.391 1.295 20 0 BDADRP COCCC[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000086500637 536589498 /nfs/dbraw/zinc/58/94/98/536589498.db2.gz FCPMHAXNEHBALT-QWHCGFSZSA-N 2 0 228.380 1.923 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2C[NH3+])C1(C)C ZINC000261533896 536809503 /nfs/dbraw/zinc/80/95/03/536809503.db2.gz KXZGWWQGVJBKRS-WHOHXGKFSA-N 2 0 226.364 1.517 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](O)CC(C)(C)C ZINC000226066671 536850495 /nfs/dbraw/zinc/85/04/95/536850495.db2.gz JUPFANAIQQSCDV-RYUDHWBXSA-N 2 0 246.395 1.127 20 0 BDADRP COc1ccccc1CC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000230287018 537039695 /nfs/dbraw/zinc/03/96/95/537039695.db2.gz HLVFAVJYALXGHD-UONOGXRCSA-N 2 0 248.370 1.955 20 0 BDADRP CO[C@H]1CCC[C@@H]([N@H+](C)CCC[NH+](C)C)C1 ZINC001172929561 974979509 /nfs/dbraw/zinc/97/95/09/974979509.db2.gz FYCBPKSZHFBJAL-OLZOCXBDSA-N 2 0 228.380 1.828 20 0 BDADRP CC(C)[C@@H](CO)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000394110113 582954998 /nfs/dbraw/zinc/95/49/98/582954998.db2.gz MBPUZXDFOGXMBX-TZMCWYRMSA-N 2 0 242.407 1.571 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)C1CC[NH+](C)CC1 ZINC000051996072 566360673 /nfs/dbraw/zinc/36/06/73/566360673.db2.gz APNAUCCACIYWCS-YUTCNCBUSA-N 2 0 240.391 1.610 20 0 BDADRP C1=C[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000854221803 588780353 /nfs/dbraw/zinc/78/03/53/588780353.db2.gz VRUNRWJBEAEJNI-IGQOVBAYSA-N 2 0 236.359 1.452 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000854229758 588780902 /nfs/dbraw/zinc/78/09/02/588780902.db2.gz WQYDKKGVJBBWLG-MMWGEVLESA-N 2 0 248.317 1.516 20 0 BDADRP Cc1cc(N)nc(NC2CC[NH+](C3CC3)CC2)[nH+]1 ZINC000891662613 582707582 /nfs/dbraw/zinc/70/75/82/582707582.db2.gz PEHZJEHMWZSQPZ-UHFFFAOYSA-N 2 0 247.346 1.406 20 0 BDADRP CC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])NC1CCC1 ZINC000849006068 582822447 /nfs/dbraw/zinc/82/24/47/582822447.db2.gz QFBRWHDHNFKGHA-LBPRGKRZSA-N 2 0 238.379 1.527 20 0 BDADRP CN(C)c1cc(NC[C@@H]2CCC[N@H+](C)C2)ncn1 ZINC000892421871 582883659 /nfs/dbraw/zinc/88/36/59/582883659.db2.gz PPHMAEQHSKAICP-NSHDSACASA-N 2 0 249.362 1.296 20 0 BDADRP Cc1cc(N)nc(N[C@H]2CC[N@H+](C)[C@H](C)C2)[nH+]1 ZINC000892674214 582948545 /nfs/dbraw/zinc/94/85/45/582948545.db2.gz UJDVWNLLAOXFSE-ZJUUUORDSA-N 2 0 235.335 1.262 20 0 BDADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CC[C@H]2C)CC1 ZINC000783226075 582949935 /nfs/dbraw/zinc/94/99/35/582949935.db2.gz ZIOJJKJLEJEIJF-MCIONIFRSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@H]1CC[C@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000783244405 582953125 /nfs/dbraw/zinc/95/31/25/582953125.db2.gz UHZGQHHOAHWQFT-GXTWGEPZSA-N 2 0 239.407 1.401 20 0 BDADRP Cc1cc(N)nc(N[C@@H]2CCC[C@H]([NH+](C)C)C2)[nH+]1 ZINC000892824429 582989391 /nfs/dbraw/zinc/98/93/91/582989391.db2.gz QQZLWCXUKHHJAR-MNOVXSKESA-N 2 0 249.362 1.652 20 0 BDADRP COc1ccc(C[NH2+]CC2CC[NH+](C)CC2)o1 ZINC000892943778 583014374 /nfs/dbraw/zinc/01/43/74/583014374.db2.gz JFFYJDJXQYGBQZ-UHFFFAOYSA-N 2 0 238.331 1.720 20 0 BDADRP CCc1onc(C)c1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000893305188 583095307 /nfs/dbraw/zinc/09/53/07/583095307.db2.gz SSKAZHOUTHGGRO-UHFFFAOYSA-N 2 0 249.358 1.897 20 0 BDADRP [NH3+]CCCCCCC[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000857087560 588887039 /nfs/dbraw/zinc/88/70/39/588887039.db2.gz UKRQEVATEPUGQP-KGLIPLIRSA-N 3 0 239.407 1.709 20 0 BDADRP CC(C)C1C[NH+](CC2CC[NH+](C)CC2)C1 ZINC000894135864 583314390 /nfs/dbraw/zinc/31/43/90/583314390.db2.gz XMESGTTVDHPAFT-UHFFFAOYSA-N 2 0 210.365 1.916 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCCCO3)CC[C@@H]21 ZINC000877742091 583345837 /nfs/dbraw/zinc/34/58/37/583345837.db2.gz OKONTYMDENYIAI-RDBSUJKOSA-N 2 0 238.375 1.582 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000857253650 588901404 /nfs/dbraw/zinc/90/14/04/588901404.db2.gz QHNGZVWMSKHIPT-WPRPVWTQSA-N 2 0 208.309 1.114 20 0 BDADRP Cc1ccnc(N)c1C[NH2+]CC1CC[NH+](C)CC1 ZINC000894242163 583387774 /nfs/dbraw/zinc/38/77/74/583387774.db2.gz UBWKZPNULRGUAT-UHFFFAOYSA-N 2 0 248.374 1.404 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CC[C@@H](n3cccn3)C2)CC1 ZINC000894568718 583484736 /nfs/dbraw/zinc/48/47/36/583484736.db2.gz NMFGQZXOSUANIK-CQSZACIVSA-N 2 0 248.374 1.472 20 0 BDADRP CC[N@H+](C[C@H](C)OC)CC1CC[NH+](C)CC1 ZINC000894577410 583487323 /nfs/dbraw/zinc/48/73/23/583487323.db2.gz VWMAQEHCTCTDPA-LBPRGKRZSA-N 2 0 228.380 1.685 20 0 BDADRP OCC1(C[NH2+]Cc2cnc[nH]2)CC2(CCC2)C1 ZINC000894590183 583488201 /nfs/dbraw/zinc/48/82/01/583488201.db2.gz ZDCAEFHFAWMGGC-UHFFFAOYSA-N 2 0 235.331 1.442 20 0 BDADRP CC(C)[N@H+](CC1CC[NH+](C)CC1)C1COC1 ZINC000894659298 583504470 /nfs/dbraw/zinc/50/44/70/583504470.db2.gz QPLUCPVGBOBMQE-UHFFFAOYSA-N 2 0 226.364 1.437 20 0 BDADRP CS[C@H]1CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000894691664 583507554 /nfs/dbraw/zinc/50/75/54/583507554.db2.gz APGIHFDCRJUOFY-LBPRGKRZSA-N 2 0 228.405 1.766 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C2CCC(CO)CC2)C1 ZINC000304569952 583528763 /nfs/dbraw/zinc/52/87/63/583528763.db2.gz HUNOTZJMADKSIZ-KPFVRQRISA-N 2 0 226.364 1.397 20 0 BDADRP COCC[C@@H](C)C[NH2+]CC1CC[NH+](C)CC1 ZINC000894893109 583549388 /nfs/dbraw/zinc/54/93/88/583549388.db2.gz DOQJIJPLPVOKEV-GFCCVEGCSA-N 2 0 228.380 1.590 20 0 BDADRP c1ncn2c1C[C@@H](Nc1ccnc(C3CC3)n1)C2 ZINC000894995361 583565715 /nfs/dbraw/zinc/56/57/15/583565715.db2.gz BYMQAKHHNDYGFJ-SNVBAGLBSA-N 2 0 241.298 1.587 20 0 BDADRP C[N@@H+]1CC[C@@H]2CN(c3cc[nH+]cc3CO)CC[C@H]21 ZINC000895022066 583569463 /nfs/dbraw/zinc/56/94/63/583569463.db2.gz JYDGGGJQCVRBSZ-DGCLKSJQSA-N 2 0 247.342 1.104 20 0 BDADRP CC[C@H](C[NH2+]C1CC[NH+](CC)CC1)C(=O)OC ZINC000895128611 583600033 /nfs/dbraw/zinc/60/00/33/583600033.db2.gz VRBRQVNGRVOMTL-LLVKDONJSA-N 2 0 242.363 1.260 20 0 BDADRP CC[C@H](C)[C@H](C[NH2+]CC[C@@H](C)[NH+](C)C)OC ZINC000895291671 583636938 /nfs/dbraw/zinc/63/69/38/583636938.db2.gz AHMXWBDAWYOUPD-XQQFMLRXSA-N 2 0 230.396 1.977 20 0 BDADRP CS[C@@H]1CC[C@@H]1[NH2+]CC[C@@H](C)[NH+](C)C ZINC000895291373 583637046 /nfs/dbraw/zinc/63/70/46/583637046.db2.gz FAJPIINLFCTBEI-OUAUKWLOSA-N 2 0 216.394 1.810 20 0 BDADRP C[C@H](CCNCc1cnn2c1CCC2)[NH+](C)C ZINC000895291910 583637935 /nfs/dbraw/zinc/63/79/35/583637935.db2.gz JUGRSKQOWXMEIZ-LLVKDONJSA-N 2 0 236.363 1.259 20 0 BDADRP CC(=O)OC[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000895587295 583694363 /nfs/dbraw/zinc/69/43/63/583694363.db2.gz ODQXEUVDJAYESO-DGCLKSJQSA-N 2 0 242.363 1.260 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CCN(C)[C@@H]1C)CC(C)C ZINC000896554626 583811854 /nfs/dbraw/zinc/81/18/54/583811854.db2.gz KHVMYYHBYGPEJH-FRRDWIJNSA-N 2 0 228.380 1.730 20 0 BDADRP C[C@@H]1[C@H]([NH2+]CCC[C@@H]2CCO2)CCN1C ZINC000896555111 583812083 /nfs/dbraw/zinc/81/20/83/583812083.db2.gz MLEHJOCZJKFYAX-IJLUTSLNSA-N 2 0 212.337 1.238 20 0 BDADRP C[C@@H]1[C@H]([NH2+]CCC[C@H]2CCO2)CCN1C ZINC000896555110 583812258 /nfs/dbraw/zinc/81/22/58/583812258.db2.gz MLEHJOCZJKFYAX-GRYCIOLGSA-N 2 0 212.337 1.238 20 0 BDADRP C[NH+]1CCC(C[NH2+]Cc2cncc(O)c2)CC1 ZINC000897305627 583912587 /nfs/dbraw/zinc/91/25/87/583912587.db2.gz YZFNZFCNCGZDAK-UHFFFAOYSA-N 2 0 235.331 1.219 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](CNc2cc[nH+]c(CO)c2)C1 ZINC000858367386 588949006 /nfs/dbraw/zinc/94/90/06/588949006.db2.gz NTOVRMRFYZEOES-GFCCVEGCSA-N 2 0 249.358 1.716 20 0 BDADRP OCc1cc(N2CC[C@H]([NH+]3CC=CC3)C2)cc[nH+]1 ZINC000858426992 588953791 /nfs/dbraw/zinc/95/37/91/588953791.db2.gz VZUJBCDZYLFIFA-AWEZNQCLSA-N 2 0 245.326 1.024 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C2CC(CCO)C2)CN1C1CC1 ZINC000898007984 584070288 /nfs/dbraw/zinc/07/02/88/584070288.db2.gz IOBJGDLYQVMCGY-YWPUVAFDSA-N 2 0 238.375 1.362 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]CC[C@@H](O)C2CC2)CC1 ZINC000898202869 584089621 /nfs/dbraw/zinc/08/96/21/584089621.db2.gz DUWPZIZBVCHZCC-CQSZACIVSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC[C@H](O)C2CC2)CC[N@@H+]1C ZINC000898200280 584099436 /nfs/dbraw/zinc/09/94/36/584099436.db2.gz VOFOYVRPXZQXPU-RTXFEEFZSA-N 2 0 226.364 1.220 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCCOC1 ZINC000873251403 584128159 /nfs/dbraw/zinc/12/81/59/584128159.db2.gz MKCUBRKIHJUDEE-WYUUTHIRSA-N 2 0 212.337 1.128 20 0 BDADRP C[C@H]([NH2+]CCC[C@@H]1CCOC1=O)[C@H]1CCC[NH2+]1 ZINC000873283631 584129089 /nfs/dbraw/zinc/12/90/89/584129089.db2.gz YLWUOYGWBUNJFI-QJPTWQEYSA-N 2 0 240.347 1.060 20 0 BDADRP C[NH+](C)[C@H]1CCCN(c2cc[nH+]c(CO)c2)CC1 ZINC000858515402 588962258 /nfs/dbraw/zinc/96/22/58/588962258.db2.gz KDZASVXXGCFTBD-ZDUSSCGKSA-N 2 0 249.358 1.494 20 0 BDADRP C[C@@H](NC(=[NH2+])NC[C@@H](C1CC1)[NH+](C)C)C1CC1 ZINC000899264643 584188887 /nfs/dbraw/zinc/18/88/87/584188887.db2.gz IXPGKTVOIRWEQN-SKDRFNHKSA-N 2 0 238.379 1.239 20 0 BDADRP C[C@@H]([NH3+])c1ccc(-c2cnn(C)c2C[NH3+])cc1 ZINC000899323938 584196450 /nfs/dbraw/zinc/19/64/50/584196450.db2.gz WBRNYFQNMUPUPA-SECBINFHSA-N 2 0 230.315 1.566 20 0 BDADRP C[NH+](C)C1CCC(Nc2cc[nH+]c(CO)c2)CC1 ZINC000858573470 588967585 /nfs/dbraw/zinc/96/75/85/588967585.db2.gz GSCDQPGLHLWQPL-UHFFFAOYSA-N 2 0 249.358 1.859 20 0 BDADRP [NH3+]C1(c2noc(C3=CCC[NH2+]CC3)n2)CCC1 ZINC000900008217 584265015 /nfs/dbraw/zinc/26/50/15/584265015.db2.gz AOWVRBWKXVWFTB-UHFFFAOYSA-N 2 0 234.303 1.174 20 0 BDADRP C1C[NH2+][C@H](c2noc([C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)n2)C1 ZINC000900010544 584265441 /nfs/dbraw/zinc/26/54/41/584265441.db2.gz SUFHYEGJNXURFD-JLIMGVALSA-N 2 0 234.303 1.102 20 0 BDADRP Cc1cc(N2CCC[C@]23CC[NH2+]C3)cc[nH+]1 ZINC000900453191 584313404 /nfs/dbraw/zinc/31/34/04/584313404.db2.gz YLMINXGXSAFPGQ-CYBMUJFWSA-N 2 0 217.316 1.722 20 0 BDADRP CCOCCC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902320945 584552370 /nfs/dbraw/zinc/55/23/70/584552370.db2.gz TVJVTBAPCTUEPA-LBPRGKRZSA-N 2 0 228.380 1.781 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@H]2CCCO2)C1 ZINC000902317406 584556458 /nfs/dbraw/zinc/55/64/58/584556458.db2.gz JWZJIGHOKIPJBD-NWDGAFQWSA-N 2 0 226.364 1.533 20 0 BDADRP CO[C@H](C)CC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902349277 584559696 /nfs/dbraw/zinc/55/96/96/584559696.db2.gz YNLPJJJEKHHCQP-VXGBXAGGSA-N 2 0 228.380 1.779 20 0 BDADRP CC[C@H](CCO)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902358551 584570414 /nfs/dbraw/zinc/57/04/14/584570414.db2.gz CMIIGRRBXBOHJZ-NEPJUHHUSA-N 2 0 228.380 1.515 20 0 BDADRP C[C@@H](CCO)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902360327 584571686 /nfs/dbraw/zinc/57/16/86/584571686.db2.gz KWDAMWGTGLKHTN-QWRGUYRKSA-N 2 0 214.353 1.125 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@H]2C[C@H](O)C2)C1 ZINC000902406639 584573701 /nfs/dbraw/zinc/57/37/01/584573701.db2.gz OUHYGZDVVNRWOD-SRVKXCTJSA-N 2 0 226.364 1.125 20 0 BDADRP CC(C)O[C@H]1C[C@H]([NH2+]CC2([NH3+])CC2)C1(C)C ZINC000902407194 584574825 /nfs/dbraw/zinc/57/48/25/584574825.db2.gz QALSAETUIQKKAI-QWRGUYRKSA-N 2 0 226.364 1.659 20 0 BDADRP CC1(C)C[NH2+]CC[C@H](NC[C@H]([NH3+])C2CC2)C1 ZINC000902392432 584582726 /nfs/dbraw/zinc/58/27/26/584582726.db2.gz HFRGAQMGZIDYKX-RYUDHWBXSA-N 2 0 225.380 1.092 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902394799 584584807 /nfs/dbraw/zinc/58/48/07/584584807.db2.gz DHRWIIVPGFOGSZ-FRRDWIJNSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H]1COC[C@@H]1[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902403498 584588015 /nfs/dbraw/zinc/58/80/15/584588015.db2.gz HKHDQSYFQQJMOA-UTUOFQBUSA-N 2 0 226.364 1.389 20 0 BDADRP NOCCC[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000902417342 584591300 /nfs/dbraw/zinc/59/13/00/584591300.db2.gz YHWMRFJLQYCQQC-CYBMUJFWSA-N 2 0 237.347 1.337 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 ZINC000902428298 584594192 /nfs/dbraw/zinc/59/41/92/584594192.db2.gz BIQXRQXNVFILOB-QNWHQSFQSA-N 2 0 224.348 1.413 20 0 BDADRP CC[C@H](COC)[NH2+][C@@H]1Cc2ccccc2[C@H]1N ZINC000902436594 584596695 /nfs/dbraw/zinc/59/66/95/584596695.db2.gz CFAHAHQRCZKPDC-MRVWCRGKSA-N 2 0 234.343 1.626 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@H]1C[NH2+]CC1(C)C)[NH2+]2 ZINC000902441228 584597889 /nfs/dbraw/zinc/59/78/89/584597889.db2.gz CTSXJYIPLLIFKD-MLGHIDQZSA-N 2 0 237.391 1.103 20 0 BDADRP CC1(C)C[NH2+]C[C@@H]1N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000902443210 584598257 /nfs/dbraw/zinc/59/82/57/584598257.db2.gz KQFJPHQOQRRZPU-UTUOFQBUSA-N 2 0 225.380 1.092 20 0 BDADRP C[C@H](NCC1([NH3+])CC1)c1ccc2c(c1)CCO2 ZINC000902414875 584600509 /nfs/dbraw/zinc/60/05/09/584600509.db2.gz FOPLNOPKUJDZEN-JTQLQIEISA-N 2 0 232.327 1.763 20 0 BDADRP C1CC1C([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C1CC1 ZINC000902476569 584602721 /nfs/dbraw/zinc/60/27/21/584602721.db2.gz OPWVCUOHRLNUAA-GRYCIOLGSA-N 2 0 206.333 1.658 20 0 BDADRP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@@H]1CCCOC1 ZINC000902475381 584602847 /nfs/dbraw/zinc/60/28/47/584602847.db2.gz JXWYRRHPYOPFKK-NJMOYASZSA-N 2 0 224.348 1.284 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cnn(CCF)c1 ZINC000902446472 584604002 /nfs/dbraw/zinc/60/40/02/584604002.db2.gz OUEAQEWTUFASNV-ZJUUUORDSA-N 2 0 228.315 1.068 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@@H]1C[NH2+]CC1(C)C ZINC000902448560 584605426 /nfs/dbraw/zinc/60/54/26/584605426.db2.gz GNNAPCYBSNTHML-RAIGVLPGSA-N 2 0 237.391 1.057 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)C1CCOCC1 ZINC000902449392 584606094 /nfs/dbraw/zinc/60/60/94/584606094.db2.gz NUHBQVWZTCOILT-CMPLNLGQSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc2nonc2c1 ZINC000902453477 584608220 /nfs/dbraw/zinc/60/82/20/584608220.db2.gz DEEXYUJCIOLYBC-SNVBAGLBSA-N 2 0 248.330 1.830 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902454784 584609214 /nfs/dbraw/zinc/60/92/14/584609214.db2.gz VQMFLDLOOAPDJK-NFIBXUFNSA-N 2 0 236.359 1.412 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@H]21 ZINC000902458531 584611008 /nfs/dbraw/zinc/61/10/08/584611008.db2.gz VOKJLUOZLRFZGH-RXGFPQBGSA-N 2 0 208.349 1.892 20 0 BDADRP C[C@H]([NH2+]C[C@]12C[C@H]1COC21CCC1)C1C[NH2+]C1 ZINC000902462667 584611984 /nfs/dbraw/zinc/61/19/84/584611984.db2.gz XECXGDNEJVLRTA-WCFLWFBJSA-N 2 0 236.359 1.143 20 0 BDADRP CC1(C)[C@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000902466205 584613772 /nfs/dbraw/zinc/61/37/72/584613772.db2.gz JWZKFFMZYWXNIO-IKKURHKOSA-N 2 0 249.402 1.246 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902466178 584613883 /nfs/dbraw/zinc/61/38/83/584613883.db2.gz JPGAQKLEMFVGGZ-QNWJLWSRSA-N 2 0 223.364 1.129 20 0 BDADRP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cccnc1 ZINC000902491794 584617943 /nfs/dbraw/zinc/61/79/43/584617943.db2.gz ZWOATBYZFDYQGR-NHCYSSNCSA-N 2 0 205.305 1.470 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@H]2C[C@H](C[NH3+])C2)CC1 ZINC000902490884 584618204 /nfs/dbraw/zinc/61/82/04/584618204.db2.gz XXHPCSMZJBFQGV-AULYBMBSSA-N 3 0 225.380 1.186 20 0 BDADRP Cn1ccnc1[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)C1CC1 ZINC000902491799 584618416 /nfs/dbraw/zinc/61/84/16/584618416.db2.gz ZWTQDVDOLQAFDJ-YUSALJHKSA-N 2 0 234.347 1.198 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC[C@@H](O)C1CC1 ZINC000902504582 584621357 /nfs/dbraw/zinc/62/13/57/584621357.db2.gz OVFHTCTYFJKLOA-FRRDWIJNSA-N 2 0 226.364 1.397 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC[C@H](O)C1CC1 ZINC000902504584 584621668 /nfs/dbraw/zinc/62/16/68/584621668.db2.gz OVFHTCTYFJKLOA-UPJWGTAASA-N 2 0 226.364 1.397 20 0 BDADRP C[C@@H]1C[C@@H](NC[C@H]2CCCCC[NH2+]2)CC[N@@H+]1C ZINC000902481203 584622926 /nfs/dbraw/zinc/62/29/26/584622926.db2.gz BGTCMQOQECQYLX-HZSPNIEDSA-N 2 0 239.407 1.591 20 0 BDADRP Cc1cc([C@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)nn1C ZINC000902485702 584625497 /nfs/dbraw/zinc/62/54/97/584625497.db2.gz MYLQRUUNSDZLIJ-DCAQKATOSA-N 2 0 222.336 1.116 20 0 BDADRP CC(C)n1cc([C@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)cn1 ZINC000902486580 584625795 /nfs/dbraw/zinc/62/57/95/584625795.db2.gz HGROIKKRLVPSCZ-GVXVVHGQSA-N 2 0 236.363 1.852 20 0 BDADRP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccccn1 ZINC000902487114 584626205 /nfs/dbraw/zinc/62/62/05/584626205.db2.gz JTLPISRWHWXPNA-DCAQKATOSA-N 2 0 205.305 1.470 20 0 BDADRP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)c2nccn21 ZINC000902487318 584626278 /nfs/dbraw/zinc/62/62/78/584626278.db2.gz SUEQTTJCBZMIQE-XWLWVQCSSA-N 2 0 220.320 1.216 20 0 BDADRP Cc1nccnc1[C@@H](C)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902487925 584626592 /nfs/dbraw/zinc/62/65/92/584626592.db2.gz VWIFQBGFSVJNPI-GMTAPVOTSA-N 2 0 220.320 1.173 20 0 BDADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C1(C)C ZINC000902487847 584626769 /nfs/dbraw/zinc/62/67/69/584626769.db2.gz VAELXHPHNYWDAR-LPWJVIDDSA-N 2 0 240.391 1.905 20 0 BDADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2CCCSC2)C1 ZINC000902488756 584627311 /nfs/dbraw/zinc/62/73/11/584627311.db2.gz NNUBTNLVBDPGHD-OPRDCNLKSA-N 2 0 200.351 1.209 20 0 BDADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000902489906 584628140 /nfs/dbraw/zinc/62/81/40/584628140.db2.gz SHVYDSCCWXEHJL-KCPJHIHWSA-N 2 0 230.355 1.871 20 0 BDADRP Cc1ncccc1CC[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000902514164 584629401 /nfs/dbraw/zinc/62/94/01/584629401.db2.gz RJQRHBJGVACJNK-OLZOCXBDSA-N 2 0 219.332 1.402 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1COC[C@@H]1C1CC1 ZINC000902517162 584629862 /nfs/dbraw/zinc/62/98/62/584629862.db2.gz HPXXXLOGSRDXHM-RAIGVLPGSA-N 2 0 226.364 1.519 20 0 BDADRP Cl/C=C\C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000902522829 584631961 /nfs/dbraw/zinc/63/19/61/584631961.db2.gz YMTKZGAPOPLUJC-SKAVNHFNSA-N 2 0 244.766 1.486 20 0 BDADRP CO[C@H]1CCC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000903195804 584734453 /nfs/dbraw/zinc/73/44/53/584734453.db2.gz ATCFSEUBDIQBCI-XQHKEYJVSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@@H]1OC[C@H]([NH2+]CCN2CCC(C)(C)C2)[C@@H]1C ZINC000903346029 584753006 /nfs/dbraw/zinc/75/30/06/584753006.db2.gz ZQJRZWGBDLQHKU-AGIUHOORSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@@H]([NH2+]CC[C@H](O)C1CC1)C1CC[NH+](C)CC1 ZINC000903404769 584758197 /nfs/dbraw/zinc/75/81/97/584758197.db2.gz LVASUFZXPSAFPE-RISCZKNCSA-N 2 0 240.391 1.467 20 0 BDADRP c1ccc([C@@H]2C[NH2+]CCN2C[C@H]2CCC[NH2+]2)cc1 ZINC000903459455 584766147 /nfs/dbraw/zinc/76/61/47/584766147.db2.gz TYGVBJOEXWCUDR-CABCVRRESA-N 2 0 245.370 1.385 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000903459851 584766422 /nfs/dbraw/zinc/76/64/22/584766422.db2.gz OVAVIKYQNSKGON-POQQGIQPSA-N 2 0 239.407 1.147 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000903461208 584766651 /nfs/dbraw/zinc/76/66/51/584766651.db2.gz PJQVSGYPANJBFV-CRWXNKLISA-N 3 0 239.407 1.291 20 0 BDADRP CC[N@@H+]1CC[C@H](N(C)C[C@H]2CCC[NH2+]2)C[C@H]1C ZINC000903445066 584769773 /nfs/dbraw/zinc/76/97/73/584769773.db2.gz XRTTYKMIAIRAFR-MCIONIFRSA-N 2 0 239.407 1.543 20 0 BDADRP CCC[C@@H]1CNCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903447545 584770514 /nfs/dbraw/zinc/77/05/14/584770514.db2.gz XBMLHZYNVKDQRD-FRRDWIJNSA-N 2 0 225.380 1.188 20 0 BDADRP C([C@H]1CCC[NH2+]1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000903453634 584772923 /nfs/dbraw/zinc/77/29/23/584772923.db2.gz GHRWTBKNPLLUBO-HZSPNIEDSA-N 2 0 237.391 1.345 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@H](C[NH3+])C1CCCCC1 ZINC000903454879 584773375 /nfs/dbraw/zinc/77/33/75/584773375.db2.gz MGSQNGKZULPCSD-KWCYVHTRSA-N 2 0 239.407 1.339 20 0 BDADRP C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903454414 584773716 /nfs/dbraw/zinc/77/37/16/584773716.db2.gz BOOMMDSWPMSUFG-LOWDOPEQSA-N 2 0 225.380 1.138 20 0 BDADRP C=C/C=C/CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903470994 584775412 /nfs/dbraw/zinc/77/54/12/584775412.db2.gz GDAMBFUJTIKWEP-AAOUONPWSA-N 2 0 206.333 1.993 20 0 BDADRP C1=CCC(C[NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000903471476 584775693 /nfs/dbraw/zinc/77/56/93/584775693.db2.gz JPCQAPMAOQENMJ-LBPRGKRZSA-N 2 0 206.333 1.827 20 0 BDADRP N[C@@H]1CCCCC[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000903476661 584777443 /nfs/dbraw/zinc/77/74/43/584777443.db2.gz FETNTOWKGGYJKT-YNEHKIRRSA-N 2 0 225.380 1.317 20 0 BDADRP CC1(C)CCNCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903476264 584777634 /nfs/dbraw/zinc/77/76/34/584777634.db2.gz SOEVYTLJKMXEMZ-NEPJUHHUSA-N 3 0 225.380 1.188 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCO[C@H](C(F)F)C2)C1 ZINC000903479751 584778105 /nfs/dbraw/zinc/77/81/05/584778105.db2.gz XWCJCOSNLCKHRO-AEJSXWLSSA-N 2 0 234.290 1.080 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCO[C@@H](C(F)F)C2)C1 ZINC000903479752 584778142 /nfs/dbraw/zinc/77/81/42/584778142.db2.gz XWCJCOSNLCKHRO-IVZWLZJFSA-N 2 0 234.290 1.080 20 0 BDADRP [NH3+]CCCCCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903483033 584778496 /nfs/dbraw/zinc/77/84/96/584778496.db2.gz BLVJTQFAEDLYDB-ZDUSSCGKSA-N 3 0 239.407 1.770 20 0 BDADRP C(C[C@@H]1CC[NH2+]C1)[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903483054 584778541 /nfs/dbraw/zinc/77/85/41/584778541.db2.gz BYOVMUOYABBPAL-QWHCGFSZSA-N 3 0 237.391 1.250 20 0 BDADRP C([C@H]1CCC[NH2+]1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903482026 584778716 /nfs/dbraw/zinc/77/87/16/584778716.db2.gz UUAXBQAAKMHSFW-KGLIPLIRSA-N 2 0 237.391 1.204 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN1[C@@H](C[NH3+])CC[C@@H](C)[C@@H]1C ZINC000903482546 584778993 /nfs/dbraw/zinc/77/89/93/584778993.db2.gz KLCYQMMWAJTSBF-PEBLQZBPSA-N 2 0 239.407 1.290 20 0 BDADRP COCCCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903484896 584779261 /nfs/dbraw/zinc/77/92/61/584779261.db2.gz XYXPZNAQFAHIRP-GFCCVEGCSA-N 2 0 226.364 1.677 20 0 BDADRP C(C[C@@H]1CCCO1)[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903484427 584779287 /nfs/dbraw/zinc/77/92/87/584779287.db2.gz QYZHYECSVVYCTC-STQMWFEESA-N 2 0 238.375 1.820 20 0 BDADRP Cn1ccc([C@@H]2CCC[N@H+](C[C@@H]3CC[NH2+]C3)C2)n1 ZINC000903564446 584782011 /nfs/dbraw/zinc/78/20/11/584782011.db2.gz VESXEJAJHDNAAO-CHWSQXEVSA-N 2 0 248.374 1.209 20 0 BDADRP CN(C)c1ccccc1CN1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903558905 584783118 /nfs/dbraw/zinc/78/31/18/584783118.db2.gz SZSRXYABWLWHDG-CQSZACIVSA-N 2 0 247.386 1.922 20 0 BDADRP CN(C[C@H]1CCCC[NH2+]C1)CC(C)(C)C[NH3+] ZINC000903717205 584792249 /nfs/dbraw/zinc/79/22/49/584792249.db2.gz JVNNNGKDWLJRPP-LBPRGKRZSA-N 2 0 227.396 1.293 20 0 BDADRP CC1CC(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000903748830 584794605 /nfs/dbraw/zinc/79/46/05/584794605.db2.gz BCWUTYQMIGPOCZ-TYUFSLCMSA-N 2 0 208.349 1.716 20 0 BDADRP CC1CC(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000903748824 584794665 /nfs/dbraw/zinc/79/46/65/584794665.db2.gz BCWUTYQMIGPOCZ-FIYWTHMPSA-N 2 0 208.349 1.716 20 0 BDADRP CC1CC(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000903748828 584794683 /nfs/dbraw/zinc/79/46/83/584794683.db2.gz BCWUTYQMIGPOCZ-TUUUFIMRSA-N 2 0 208.349 1.716 20 0 BDADRP CC[C@@H]1CC[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903734083 584796061 /nfs/dbraw/zinc/79/60/61/584796061.db2.gz UYLQLMWGOYOFDU-HZSPNIEDSA-N 2 0 238.375 1.487 20 0 BDADRP CC(C)[C@@H]1C[NH2+]CCN1C[C@@H]1CCCC[NH2+]C1 ZINC000903769787 584797782 /nfs/dbraw/zinc/79/77/82/584797782.db2.gz ODDYCSFAWVEVQY-KGLIPLIRSA-N 2 0 239.407 1.306 20 0 BDADRP CCC[N@H+](C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903756363 584798653 /nfs/dbraw/zinc/79/86/53/584798653.db2.gz QLPHEFCLFNAFRT-ZIAGYGMSSA-N 2 0 238.375 1.629 20 0 BDADRP C[N@H+](CCCF)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903784224 584800057 /nfs/dbraw/zinc/80/00/57/584800057.db2.gz LXUXCRAZVARDHB-NWDGAFQWSA-N 2 0 230.327 1.046 20 0 BDADRP FC1CC[NH+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903783431 584800507 /nfs/dbraw/zinc/80/05/07/584800507.db2.gz YRUONBREWIOLHL-QWHCGFSZSA-N 2 0 242.338 1.189 20 0 BDADRP N[C@@H]1c2ccccc2C[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000903820793 584804143 /nfs/dbraw/zinc/80/41/43/584804143.db2.gz CIZGPDISKIGCHF-HUUCEWRRSA-N 2 0 245.370 1.200 20 0 BDADRP C[C@@H]1CCOCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903831618 584806007 /nfs/dbraw/zinc/80/60/07/584806007.db2.gz LGWIDRSDFIZPEY-UTUOFQBUSA-N 2 0 212.337 1.225 20 0 BDADRP C[C@H]1CCOCC[N@@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903833370 584806218 /nfs/dbraw/zinc/80/62/18/584806218.db2.gz VAQWXEMMEFFOTO-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP NC[C@]12CC[C@H]1CC[N@@H+]2CC[C@@H]1CCCO1 ZINC000903856545 584809179 /nfs/dbraw/zinc/80/91/79/584809179.db2.gz ABOKYPBBFDCKFI-RWMBFGLXSA-N 2 0 224.348 1.369 20 0 BDADRP NC[C@]12CC[C@H]1CC[N@@H+]2CC[C@H]1CCC[NH2+]C1 ZINC000903857944 584810290 /nfs/dbraw/zinc/81/02/90/584810290.db2.gz GXKZYHDUBMWFCZ-HZSPNIEDSA-N 2 0 237.391 1.189 20 0 BDADRP [NH3+]C[C@]12CC[C@H]1CCN2C[C@@H]1CCCC[NH2+]C1 ZINC000903862645 584813439 /nfs/dbraw/zinc/81/34/39/584813439.db2.gz AZINHDVXAYENHZ-HZSPNIEDSA-N 3 0 237.391 1.189 20 0 BDADRP C[C@]1(C2CC2)COCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000903881621 584817973 /nfs/dbraw/zinc/81/79/73/584817973.db2.gz HWFLEHIOVUJSLV-TZMCWYRMSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@@H]1C[C@@H](N(C)C[C@H]([NH3+])CC(F)F)CC[N@@H+]1C ZINC000903895637 584819581 /nfs/dbraw/zinc/81/95/81/584819581.db2.gz PLBOLYHWQZNNJE-MXWKQRLJSA-N 2 0 249.349 1.383 20 0 BDADRP C[C@H](O)C[C@@H]1CCCN1C[C@@H]([NH3+])CC(F)F ZINC000903896993 584820032 /nfs/dbraw/zinc/82/00/32/584820032.db2.gz XBZWMDLKJVWKMF-GUBZILKMSA-N 2 0 236.306 1.204 20 0 BDADRP C[NH+](C)[C@H]1CCCN(C[C@H]([NH3+])CC(F)F)CC1 ZINC000903909675 584821484 /nfs/dbraw/zinc/82/14/84/584821484.db2.gz WSKUYHHBFLDQCE-MNOVXSKESA-N 2 0 249.349 1.385 20 0 BDADRP [NH3+]C[C@@H](NC[C@H]([NH3+])CC(F)F)C1CCCC1 ZINC000903919065 584823296 /nfs/dbraw/zinc/82/32/96/584823296.db2.gz LEDMQGCSYQSFJF-NXEZZACHSA-N 2 0 235.322 1.076 20 0 BDADRP C[N@H+](CCNC[C@@H]([NH3+])CC(F)F)C1CCCC1 ZINC000903923439 584823693 /nfs/dbraw/zinc/82/36/93/584823693.db2.gz UJCOHNMWQWABRS-JTQLQIEISA-N 2 0 249.349 1.433 20 0 BDADRP CC(C)([NH3+])CC[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000903939384 584823920 /nfs/dbraw/zinc/82/39/20/584823920.db2.gz ZBUITDFXSZLOOO-UHFFFAOYSA-N 2 0 232.331 1.780 20 0 BDADRP FC[C@@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000903929461 584824580 /nfs/dbraw/zinc/82/45/80/584824580.db2.gz GGGYHSDQHCAYDF-PSEXLTFBSA-N 2 0 242.338 1.187 20 0 BDADRP C[C@@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)CN1 ZINC000903917952 584826873 /nfs/dbraw/zinc/82/68/73/584826873.db2.gz PFODJWTZDCXGRX-DUJLVANISA-N 2 0 237.391 1.199 20 0 BDADRP CC(C)([NH3+])CCNCC[NH2+]C(C)(C)C ZINC000903940089 584828701 /nfs/dbraw/zinc/82/87/01/584828701.db2.gz WEEZSTXXYNGSTI-UHFFFAOYSA-N 2 0 201.358 1.092 20 0 BDADRP CC[N@@H+]1CC[C@@H](NCCC(C)(C)[NH3+])[C@@H](C)C1 ZINC000903939856 584829160 /nfs/dbraw/zinc/82/91/60/584829160.db2.gz PBGKLCBLCPDMDA-NWDGAFQWSA-N 2 0 227.396 1.434 20 0 BDADRP CCC1([NH3+])CC[NH+](C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000903947996 584829274 /nfs/dbraw/zinc/82/92/74/584829274.db2.gz KKLZWIDHQXNOQL-CHWSQXEVSA-N 3 0 239.407 1.578 20 0 BDADRP CCC1([NH3+])CCN([C@@H](C)C[C@@H]2CCC[NH2+]2)CC1 ZINC000903947636 584829321 /nfs/dbraw/zinc/82/93/21/584829321.db2.gz CYGQDKSERKFCNV-STQMWFEESA-N 2 0 239.407 1.720 20 0 BDADRP CCC1([NH3+])CCN(C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903948164 584829867 /nfs/dbraw/zinc/82/98/67/584829867.db2.gz MFBIGQSUCGSPMX-VIFPVBQESA-N 2 0 235.322 1.172 20 0 BDADRP CCC[NH+]1CCC(NCc2cc(N)cc[nH+]2)CC1 ZINC000903951525 584830703 /nfs/dbraw/zinc/83/07/03/584830703.db2.gz ZQDMTFZTGKJZHG-UHFFFAOYSA-N 2 0 248.374 1.628 20 0 BDADRP C[C@@H](C[C@H]1CCC[NH2+]1)NCc1cc(N)cc[nH+]1 ZINC000903953866 584831614 /nfs/dbraw/zinc/83/16/14/584831614.db2.gz MIJWJBGOBPMNRI-CMPLNLGQSA-N 2 0 234.347 1.284 20 0 BDADRP C[C@H]1C[C@@H](C[NH2+]Cc2cc(N)ccn2)CC[NH2+]1 ZINC000903953190 584831738 /nfs/dbraw/zinc/83/17/38/584831738.db2.gz BWQHCVJZRUKATE-QWRGUYRKSA-N 2 0 234.347 1.142 20 0 BDADRP COC[C@@H](C)C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903956684 584831951 /nfs/dbraw/zinc/83/19/51/584831951.db2.gz MXBBYGCHXSCYSW-UWVGGRQHSA-N 2 0 236.306 1.103 20 0 BDADRP CC(C)C[C@H]([NH3+])CNC[C@@H]1C[NH2+]CCC1(F)F ZINC000903956098 584831985 /nfs/dbraw/zinc/83/19/85/584831985.db2.gz GVIITCZSORXWHO-QWRGUYRKSA-N 2 0 249.349 1.194 20 0 BDADRP CC(C)[C@H](C[NH3+])CNC[C@@H]1C[NH2+]CCC1(F)F ZINC000903956359 584832125 /nfs/dbraw/zinc/83/21/25/584832125.db2.gz KAGWQTRJFQFIOW-MNOVXSKESA-N 2 0 249.349 1.052 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H](NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000903955961 584832326 /nfs/dbraw/zinc/83/23/26/584832326.db2.gz DDTYMQYQDBCSMD-GMTAPVOTSA-N 2 0 247.333 1.091 20 0 BDADRP FC1(F)CC[NH2+]C[C@H]1C[NH2+]C[C@@H]1CCCOC1 ZINC000903954239 584832334 /nfs/dbraw/zinc/83/23/34/584832334.db2.gz AZPUBKCKBPYWAH-QWRGUYRKSA-N 2 0 248.317 1.247 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]CC[NH2+]C(C)(C)C ZINC000903978830 584833190 /nfs/dbraw/zinc/83/31/90/584833190.db2.gz MZJCVFFBYJWBFD-VXGBXAGGSA-N 3 0 227.396 1.210 20 0 BDADRP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000903963665 584833330 /nfs/dbraw/zinc/83/33/30/584833330.db2.gz FAIQLWHBLKYYND-XQHKEYJVSA-N 2 0 226.364 1.388 20 0 BDADRP C[C@H](CCC(F)(F)F)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000903964792 584834354 /nfs/dbraw/zinc/83/43/54/584834354.db2.gz VYZQKMPZTJKNQH-IWSPIJDZSA-N 2 0 224.270 1.915 20 0 BDADRP CCCC[C@@H](COC)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903967503 584834851 /nfs/dbraw/zinc/83/48/51/584834851.db2.gz KABYKXFHBBGOKF-AGIUHOORSA-N 2 0 228.380 1.637 20 0 BDADRP CC1(C)C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1N ZINC000903987098 584836192 /nfs/dbraw/zinc/83/61/92/584836192.db2.gz XROZPFATUJMOSR-PSEXLTFBSA-N 2 0 237.391 1.186 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CN1CC[C@@H]([NH3+])C1 ZINC000904298709 584860222 /nfs/dbraw/zinc/86/02/22/584860222.db2.gz YEUAKWSKWUOQIP-WDEREUQCSA-N 2 0 213.369 1.173 20 0 BDADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904300773 584861048 /nfs/dbraw/zinc/86/10/48/584861048.db2.gz ANZDJKFEYYBAGO-TUAOUCFPSA-N 3 0 213.369 1.029 20 0 BDADRP C[C@@H]1[C@H](C)[NH2+]CCN1C[C@H]([NH3+])CCC(C)(C)C ZINC000904301164 584861065 /nfs/dbraw/zinc/86/10/65/584861065.db2.gz HYLUHZWCJWHZBB-YNEHKIRRSA-N 2 0 241.423 1.822 20 0 BDADRP [NH3+]Cc1ccc(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000904300974 584861351 /nfs/dbraw/zinc/86/13/51/584861351.db2.gz CWSDXYYZJRHJMN-CABCVRRESA-N 2 0 245.370 1.472 20 0 BDADRP [NH3+]Cc1ccc(CN2CCC[C@@H]2C[NH3+])cc1 ZINC000904302761 584862142 /nfs/dbraw/zinc/86/21/42/584862142.db2.gz YLKWDKSYQHTIMW-CYBMUJFWSA-N 3 0 219.332 1.068 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC([NH2+]CC3CC3)CC2)C1 ZINC000904302609 584862157 /nfs/dbraw/zinc/86/21/57/584862157.db2.gz XECTYCMOVZAXME-BETUJISGSA-N 3 0 237.391 1.188 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCO[C@@H](c3ccccc3)C2)C1 ZINC000904307773 584862929 /nfs/dbraw/zinc/86/29/29/584862929.db2.gz WBIXKWLSSVFDQY-VHDGCEQUSA-N 2 0 246.354 1.797 20 0 BDADRP COCC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CCCC1 ZINC000904310086 584863091 /nfs/dbraw/zinc/86/30/91/584863091.db2.gz VYUSYHLUHQPTRY-TXEJJXNPSA-N 2 0 226.364 1.615 20 0 BDADRP C[C@@H](Cc1ccc(O)cc1)[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904320566 584864023 /nfs/dbraw/zinc/86/40/23/584864023.db2.gz LGJBSOMGEKHVPS-FPMFFAJLSA-N 2 0 248.370 1.992 20 0 BDADRP C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H](CO)C(C)(C)C ZINC000904327020 584865310 /nfs/dbraw/zinc/86/53/10/584865310.db2.gz XCXPCCNXXKBYAZ-OUAUKWLOSA-N 2 0 214.353 1.063 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@H](OC(F)F)C2)C1 ZINC000904332878 584866007 /nfs/dbraw/zinc/86/60/07/584866007.db2.gz SEOAWXQHHCNLFO-AEJSXWLSSA-N 2 0 234.290 1.427 20 0 BDADRP COC(=O)CCC(C)(C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904331488 584866203 /nfs/dbraw/zinc/86/62/03/584866203.db2.gz IPINDRCFYRNFDY-AOOOYVTPSA-N 2 0 228.336 1.045 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)C1 ZINC000904341239 584867326 /nfs/dbraw/zinc/86/73/26/584867326.db2.gz LQYSRTHVAZKQAX-MBNYWOFBSA-N 2 0 247.342 1.272 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@]2(C)CCC[NH2+]C2)C[C@H]1O ZINC000904346570 584868086 /nfs/dbraw/zinc/86/80/86/584868086.db2.gz UFGAJKAFTLMTJX-UPJWGTAASA-N 2 0 226.364 1.079 20 0 BDADRP COCC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CC[C@@H](C)C1 ZINC000904346202 584868274 /nfs/dbraw/zinc/86/82/74/584868274.db2.gz QSCCUDUDNOFRKK-MQYQWHSLSA-N 2 0 240.391 1.861 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC([C@@H]3CCOC3)CC2)C1 ZINC000904345815 584868500 /nfs/dbraw/zinc/86/85/00/584868500.db2.gz JJMOTGGARQKEFU-BNOWGMLFSA-N 2 0 238.375 1.472 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CNC1CC[NH2+]CC1 ZINC000904350285 584868880 /nfs/dbraw/zinc/86/88/80/584868880.db2.gz JZCUJXVMRBUMLP-NSHDSACASA-N 2 0 227.396 1.482 20 0 BDADRP C[C@@H]1C[NH2+][C@@H](C)CN1Cc1ccc(C[NH3+])cc1 ZINC000904349810 584868893 /nfs/dbraw/zinc/86/88/93/584868893.db2.gz CKICVZCFUYDBFH-NWDGAFQWSA-N 2 0 233.359 1.328 20 0 BDADRP C[C@]1(CN2CC[C@@]3(CC[NH2+]C3)C2)CCC[NH2+]C1 ZINC000904351179 584869322 /nfs/dbraw/zinc/86/93/22/584869322.db2.gz VUXZOOKJBLVNON-UONOGXRCSA-N 2 0 237.391 1.062 20 0 BDADRP [NH3+]CCc1ccc(C[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000904353651 584870265 /nfs/dbraw/zinc/87/02/65/584870265.db2.gz PYNNBIYKMMKJMH-OKILXGFUSA-N 3 0 233.359 1.015 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CNC[C@@H]1CCCC[NH2+]1 ZINC000904353635 584870337 /nfs/dbraw/zinc/87/03/37/584870337.db2.gz PLPCBILKQNRRPJ-STQMWFEESA-N 2 0 241.423 1.872 20 0 BDADRP C[C@@]1(C[NH2+]CCC[C@@H]2CCC[NH2+]2)CCC[NH2+]C1 ZINC000904354207 584870451 /nfs/dbraw/zinc/87/04/51/584870451.db2.gz CXFXUVCKNSQMQL-KGLIPLIRSA-N 3 0 239.407 1.498 20 0 BDADRP C[C@]1(C[NH2+]Cc2ccc(C[NH3+])cc2)CCC[NH2+]C1 ZINC000904355289 584870792 /nfs/dbraw/zinc/87/07/92/584870792.db2.gz MGQVDUOSNMZIOY-HNNXBMFYSA-N 3 0 247.386 1.625 20 0 BDADRP C[C@@]1(CNc2ccc(C[NH3+])cc2)CCC[NH2+]C1 ZINC000904355460 584871337 /nfs/dbraw/zinc/87/13/37/584871337.db2.gz NYOXNMRRYAIOML-CQSZACIVSA-N 2 0 233.359 1.947 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000904355871 584871466 /nfs/dbraw/zinc/87/14/66/584871466.db2.gz XENPCGVEINLRQC-KGLIPLIRSA-N 3 0 233.359 1.362 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+]C[C@H](O)c2ccsc2)C1 ZINC000904359604 584871651 /nfs/dbraw/zinc/87/16/51/584871651.db2.gz CZZXEOGXIXFZCM-GDPRMGEGSA-N 2 0 226.345 1.108 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCO[C@@H](C3CCC3)C2)C1 ZINC000904371156 584873075 /nfs/dbraw/zinc/87/30/75/584873075.db2.gz KKKWTMHLEWCLKS-KGYLQXTDSA-N 2 0 224.348 1.225 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC[C@H]([NH3+])CCC(C)(C)C ZINC000904373876 584873762 /nfs/dbraw/zinc/87/37/62/584873762.db2.gz LAYNMIZTYOHNCD-SDDRHHMPSA-N 2 0 229.412 1.855 20 0 BDADRP C[C@@]1(C[NH2+]CCCCCC[NH3+])CCC[NH2+]C1 ZINC000904373165 584873947 /nfs/dbraw/zinc/87/39/47/584873947.db2.gz CAFTYEJAYGZARG-ZDUSSCGKSA-N 3 0 227.396 1.485 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])C[NH2+]C[C@@H]1CCCO1 ZINC000904363953 584874218 /nfs/dbraw/zinc/87/42/18/584874218.db2.gz GNGDRWKUALLLDJ-RYUDHWBXSA-N 2 0 228.380 1.909 20 0 BDADRP [NH3+]CC1CC([NH2+]CC2(CCO)CCCC2)C1 ZINC000904364227 584874419 /nfs/dbraw/zinc/87/44/19/584874419.db2.gz IXWXWQWLKXUODJ-UHFFFAOYSA-N 2 0 226.364 1.256 20 0 BDADRP Cc1ccc2[nH]c(C[NH2+]C3CC(C[NH3+])C3)nc2c1 ZINC000904364893 584874846 /nfs/dbraw/zinc/87/48/46/584874846.db2.gz SFAHMBMWGOTEAR-UHFFFAOYSA-N 2 0 244.342 1.698 20 0 BDADRP Cc1csc([C@@H](C)[NH2+]C2CC(C[NH3+])C2)n1 ZINC000904365939 584874955 /nfs/dbraw/zinc/87/49/55/584874955.db2.gz CCWYNWMMEQZJFX-XNWIYYODSA-N 2 0 225.361 1.839 20 0 BDADRP COc1cc(CC[NH2+]C[C@H]2C[C@@H]([NH3+])C2)ccc1C ZINC000904366156 584874978 /nfs/dbraw/zinc/87/49/78/584874978.db2.gz GEMBWCUKDBGYJF-OKILXGFUSA-N 2 0 248.370 1.873 20 0 BDADRP Cc1nc(C)c(C[NH2+]C2CC(C[NH3+])C2)s1 ZINC000904366505 584875035 /nfs/dbraw/zinc/87/50/35/584875035.db2.gz MLKMXKPPPOTTJX-UHFFFAOYSA-N 2 0 225.361 1.587 20 0 BDADRP Cc1cccc(CC[NH2+]C[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000904366477 584875073 /nfs/dbraw/zinc/87/50/73/584875073.db2.gz LXAZYRCIPZHGKY-OKILXGFUSA-N 2 0 218.344 1.864 20 0 BDADRP CC(C)[C@H]([NH3+])CCNC[C@]1(C)CCC[NH2+]C1 ZINC000904378333 584875874 /nfs/dbraw/zinc/87/58/74/584875874.db2.gz ARQRPYFIMIUDRN-CHWSQXEVSA-N 2 0 227.396 1.339 20 0 BDADRP Cc1noc([C@@H](C)[N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)n1 ZINC000904376458 584876130 /nfs/dbraw/zinc/87/61/30/584876130.db2.gz SSNGWLKAKDHADT-QNSHHTMESA-N 2 0 224.308 1.108 20 0 BDADRP COc1ccc2c(c1)CC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904379287 584876670 /nfs/dbraw/zinc/87/66/70/584876670.db2.gz SKJBXNRHHAVSLU-VDISTLRHSA-N 2 0 246.354 1.791 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904378943 584876831 /nfs/dbraw/zinc/87/68/31/584876831.db2.gz NFXZLKDMEPKBFB-CQSZACIVSA-N 3 0 235.375 1.608 20 0 BDADRP C[NH+](C)C1(C)CCC([NH2+]C2CC(C[NH3+])C2)CC1 ZINC000904384809 584877525 /nfs/dbraw/zinc/87/75/25/584877525.db2.gz OJABNLIZXWHQQS-UHFFFAOYSA-N 3 0 239.407 1.576 20 0 BDADRP [NH3+]CCN1CCC([NH2+][C@@H]2CCCC[C@@H]2F)CC1 ZINC000904384264 584877529 /nfs/dbraw/zinc/87/75/29/584877529.db2.gz IJZYIPWNDKENQP-QWHCGFSZSA-N 2 0 243.370 1.280 20 0 BDADRP C[C@H]1C[N@H+](Cc2cccc(O)c2)CC[C@H]1C[NH3+] ZINC000904410094 584879017 /nfs/dbraw/zinc/87/90/17/584879017.db2.gz AJUSPKUIMTYGGN-AAEUAGOBSA-N 2 0 234.343 1.809 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cccc3c2OCO3)C1 ZINC000904409607 584879184 /nfs/dbraw/zinc/87/91/84/584879184.db2.gz DJGXAINXTXHOJE-LLVKDONJSA-N 2 0 248.326 1.586 20 0 BDADRP CCn1cc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cn1 ZINC000904411088 584879857 /nfs/dbraw/zinc/87/98/57/584879857.db2.gz JYDYSCQYVGDWFK-DGCLKSJQSA-N 2 0 236.363 1.320 20 0 BDADRP C[C@H]1CCC[N@@H+]1CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000817912552 584991184 /nfs/dbraw/zinc/99/11/84/584991184.db2.gz HHDCEKZWNYNGNX-ICIURTGMSA-N 2 0 237.391 1.343 20 0 BDADRP C[NH+](C)[C@H]1CCC[N@H+](C[C@H](O)C2CC2)CC1 ZINC000838969443 585082856 /nfs/dbraw/zinc/08/28/56/585082856.db2.gz XTWVLXZLTDSGHB-STQMWFEESA-N 2 0 226.364 1.173 20 0 BDADRP C[NH2+][C@@H]1CCCN(C[C@H]2C[C@]23CCOC3)C1 ZINC000886827001 585180788 /nfs/dbraw/zinc/18/07/88/585180788.db2.gz BLFDMQATCXPKAD-UPJWGTAASA-N 2 0 224.348 1.097 20 0 BDADRP CCC(=O)CC[N@@H+](C)C1CCN(CC)CC1 ZINC000753734123 585267458 /nfs/dbraw/zinc/26/74/58/585267458.db2.gz SUTKEICNWAZWQF-UHFFFAOYSA-N 2 0 226.364 1.772 20 0 BDADRP CC(C)[NH2+][C@@H]1CCCN(CCC2OCCO2)C1 ZINC000767799761 585526175 /nfs/dbraw/zinc/52/61/75/585526175.db2.gz ARBXKJUTYALOKR-GFCCVEGCSA-N 2 0 242.363 1.212 20 0 BDADRP C[C@H](CCO)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000779340696 585751991 /nfs/dbraw/zinc/75/19/91/585751991.db2.gz IZTPHCWBQQQRSB-NWDGAFQWSA-N 2 0 214.353 1.079 20 0 BDADRP C[C@H](CCO)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000779383237 585752821 /nfs/dbraw/zinc/75/28/21/585752821.db2.gz MGPNBYVMOHRRCA-GFCCVEGCSA-N 2 0 236.359 1.609 20 0 BDADRP CC(C)[NH+](CCC[NH2+][C@@H](C)CCO)C(C)C ZINC000779399710 585753401 /nfs/dbraw/zinc/75/34/01/585753401.db2.gz OLHZAEZHKYTDHV-ZDUSSCGKSA-N 2 0 230.396 1.856 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC=CO2)[C@@H](C)C1 ZINC000783308804 585833401 /nfs/dbraw/zinc/83/34/01/585833401.db2.gz FTMBDHXIHBTXIO-MJBXVCDLSA-N 2 0 238.375 1.999 20 0 BDADRP CC[C@@H](C)[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000783646605 585839291 /nfs/dbraw/zinc/83/92/91/585839291.db2.gz DYDSMIOERCFAGY-CQSZACIVSA-N 2 0 239.407 1.498 20 0 BDADRP C[C@H]1C[N@H+](CC2CC[NH+](C)CC2)CCO1 ZINC000788471858 585925260 /nfs/dbraw/zinc/92/52/60/585925260.db2.gz VLWUZWSNFZYCMG-NSHDSACASA-N 2 0 212.337 1.049 20 0 BDADRP C[N@H+](CCC[NH+]1CCCC1)CCC1OCCO1 ZINC000799175274 586164961 /nfs/dbraw/zinc/16/49/61/586164961.db2.gz UGYALXVCHNDOAH-UHFFFAOYSA-N 2 0 242.363 1.167 20 0 BDADRP CN(CCC[N@H+](C)C/C=C\Cl)CC[NH+](C)C ZINC000808781272 586489844 /nfs/dbraw/zinc/48/98/44/586489844.db2.gz CYBHBIUNWLOOFB-ALCCZGGFSA-N 2 0 247.814 1.554 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc[nH]c(=O)c1 ZINC000813325732 586600212 /nfs/dbraw/zinc/60/02/12/586600212.db2.gz JSQOUWZVMVPRBV-VXGBXAGGSA-N 2 0 249.358 1.780 20 0 BDADRP C[N@@H+]1CCC[C@]2(CC[NH+](CCCCCO)C2)C1 ZINC000815144473 586669628 /nfs/dbraw/zinc/66/96/28/586669628.db2.gz DLFLIIXGWUBLQV-AWEZNQCLSA-N 2 0 240.391 1.567 20 0 BDADRP C[C@@H](NCC[N@@H+]1CCC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000817912359 586831459 /nfs/dbraw/zinc/83/14/59/586831459.db2.gz GJFOLGAYJMAQTG-UPJWGTAASA-N 2 0 225.380 1.201 20 0 BDADRP Cc1ccccc1[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000817890743 586832568 /nfs/dbraw/zinc/83/25/68/586832568.db2.gz YJKMAVSNRCRCKN-BPLDGKMQSA-N 2 0 248.370 1.745 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCOc1cccnc1 ZINC000817891806 586832651 /nfs/dbraw/zinc/83/26/51/586832651.db2.gz HJCZYSBYANPYFS-KBPBESRZSA-N 2 0 249.358 1.710 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCOc1cccnc1 ZINC000817893298 586833805 /nfs/dbraw/zinc/83/38/05/586833805.db2.gz QZUFORTWCCKWSJ-GXTWGEPZSA-N 2 0 249.358 1.438 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H](O)c1ccccc1 ZINC000817894327 586834148 /nfs/dbraw/zinc/83/41/48/586834148.db2.gz LLAKNQKJQUSKQS-LOWVWBTDSA-N 2 0 222.332 1.435 20 0 BDADRP CC[C@H]([NH2+]C1CCC(C)(O)CC1)[C@@H]1CCC[NH2+]1 ZINC000817912072 586837917 /nfs/dbraw/zinc/83/79/17/586837917.db2.gz DGFKZBPWXSUXRO-QPPOZKHWSA-N 2 0 240.391 1.800 20 0 BDADRP C[C@@H](NCC[N@@H+]1CCC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000817912354 586837973 /nfs/dbraw/zinc/83/79/73/586837973.db2.gz GJFOLGAYJMAQTG-JHJVBQTASA-N 2 0 225.380 1.201 20 0 BDADRP C[C@](O)(C[NH2+][C@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000817911404 586838410 /nfs/dbraw/zinc/83/84/10/586838410.db2.gz AEBQCEIYPGCQGJ-IHRRRGAJSA-N 2 0 234.343 1.364 20 0 BDADRP C[C@@H](NCC[N@@H+]1CCC[C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000817912787 586838590 /nfs/dbraw/zinc/83/85/90/586838590.db2.gz IONVZQXFYKGTBY-MCIONIFRSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H]1CCC[N@@H+]1CCN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000817914723 586839186 /nfs/dbraw/zinc/83/91/86/586839186.db2.gz YGNRHIPSVMYXOI-HZSPNIEDSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000817913382 586839511 /nfs/dbraw/zinc/83/95/11/586839511.db2.gz OLFJMAUAROLMBA-OUCADQQQSA-N 2 0 236.359 1.610 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(F)n1 ZINC000817916898 586840139 /nfs/dbraw/zinc/84/01/39/586840139.db2.gz JPTOPFFAILMAMX-CMPLNLGQSA-N 2 0 237.322 1.828 20 0 BDADRP CC[C@H]([NH2+]CCCCCCO)[C@@H]1CCC[NH2+]1 ZINC000817918762 586840473 /nfs/dbraw/zinc/84/04/73/586840473.db2.gz MOXMSAWFPCJWDO-STQMWFEESA-N 2 0 228.380 1.659 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(F)n1 ZINC000817916900 586840694 /nfs/dbraw/zinc/84/06/94/586840694.db2.gz JPTOPFFAILMAMX-JQWIXIFHSA-N 2 0 237.322 1.828 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+][C@@H](CCO)Cc1ccccc1 ZINC000817928775 586842325 /nfs/dbraw/zinc/84/23/25/586842325.db2.gz AKGPHPYGDIYURG-RRFJBIMHSA-N 2 0 248.370 1.450 20 0 BDADRP CCc1nc(C[NH2+][C@@H](C)CCCC[NH3+])co1 ZINC000817937737 586843938 /nfs/dbraw/zinc/84/39/38/586843938.db2.gz VSBKXDQESPCESY-JTQLQIEISA-N 2 0 225.336 1.844 20 0 BDADRP C[NH2+]CCC[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000817942082 586845248 /nfs/dbraw/zinc/84/52/48/586845248.db2.gz XMVJVMFYLSPEED-LLVKDONJSA-N 2 0 234.343 1.882 20 0 BDADRP [NH3+]CCc1ccc(CN[C@H]2CCC[C@H]2[NH3+])cc1 ZINC000817947610 586847065 /nfs/dbraw/zinc/84/70/65/586847065.db2.gz CBDDFVNZRLWXOC-KGLIPLIRSA-N 2 0 233.359 1.157 20 0 BDADRP c1[nH]nc2c1[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)CCC2 ZINC000817955592 586849731 /nfs/dbraw/zinc/84/97/31/586849731.db2.gz ZNIFEBXCLQJPGR-JQWIXIFHSA-N 2 0 234.347 1.376 20 0 BDADRP Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)n(C)n1 ZINC000817970156 586857407 /nfs/dbraw/zinc/85/74/07/586857407.db2.gz MTMLYCUIBBEXTR-QJPTWQEYSA-N 2 0 236.363 1.649 20 0 BDADRP c1[nH]nc2c1[C@@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)CCC2 ZINC000817976623 586860283 /nfs/dbraw/zinc/86/02/83/586860283.db2.gz PSLIIIXYFOOALX-WCQYABFASA-N 2 0 246.358 1.519 20 0 BDADRP CC[NH+]1CCC(C[NH2+]C[C@H](O)C2CC2)CC1 ZINC000818975074 586919422 /nfs/dbraw/zinc/91/94/22/586919422.db2.gz RUKZFGOMVCRUCK-ZDUSSCGKSA-N 2 0 226.364 1.079 20 0 BDADRP C[NH+](C)CC[C@@H]([NH2+]C[C@@H](O)C1CC1)C(C)(C)C ZINC000819083219 586929621 /nfs/dbraw/zinc/92/96/21/586929621.db2.gz YDVCYNMJHGNFTR-CHWSQXEVSA-N 2 0 242.407 1.713 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)C2CC2)C1 ZINC000819365994 586957615 /nfs/dbraw/zinc/95/76/15/586957615.db2.gz GJOSNCGZYUYPDO-DGCLKSJQSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H]([NH2+]Cc1cnc(N(C)C)n1C)c1ccc[nH]1 ZINC000822464770 587169769 /nfs/dbraw/zinc/16/97/69/587169769.db2.gz TXBFMRPVHCHAPO-SNVBAGLBSA-N 2 0 247.346 1.665 20 0 BDADRP Cc1ncc(C[N@@H+]2CCC[C@H](CO)CC2)n1C ZINC000826015778 587348395 /nfs/dbraw/zinc/34/83/95/587348395.db2.gz BXFJXHIVFAALJA-LBPRGKRZSA-N 2 0 237.347 1.323 20 0 BDADRP OC[C@@H]1CCC[N@H+](Cc2cnc3n2CCC3)CC1 ZINC000826017552 587348539 /nfs/dbraw/zinc/34/85/39/587348539.db2.gz SXVHKEBEZHMUGS-GFCCVEGCSA-N 2 0 249.358 1.424 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](N(C)CC[NH+]2CCCC2)C1 ZINC000832778614 587688509 /nfs/dbraw/zinc/68/85/09/587688509.db2.gz MPAVKSVIGXVGHM-CQSZACIVSA-N 2 0 239.407 1.497 20 0 BDADRP [NH3+]Cc1cccc(C(=O)N[C@H]2CCC[NH2+]CC2)c1 ZINC000834582609 587759896 /nfs/dbraw/zinc/75/98/96/587759896.db2.gz WFVXRTZNEKSKJN-ZDUSSCGKSA-N 2 0 247.342 1.017 20 0 BDADRP CN(CC[NH2+]C[C@H](O)C1CC1)Cc1ccccc1 ZINC000840746434 587919441 /nfs/dbraw/zinc/91/94/41/587919441.db2.gz DHXHKDQRJWPUFY-HNNXBMFYSA-N 2 0 248.370 1.479 20 0 BDADRP CC[C@@](C)(CC(=O)OC)[NH2+]C[C@H]([NH3+])CC(C)C ZINC000841011840 587935735 /nfs/dbraw/zinc/93/57/35/587935735.db2.gz OTLYVKLEBGJUPP-YPMHNXCESA-N 2 0 244.379 1.681 20 0 BDADRP [NH3+]CCc1ccc(C[NH2+]C[C@H]2CCCOC2)cc1 ZINC000841032589 587936937 /nfs/dbraw/zinc/93/69/37/587936937.db2.gz UFOJXDWPHMOOTK-OAHLLOKOSA-N 2 0 248.370 1.704 20 0 BDADRP CCCCCC[C@H](C)[NH2+]CCN1CC[NH2+]CC1 ZINC000841045601 587939153 /nfs/dbraw/zinc/93/91/53/587939153.db2.gz YLECZQWPVZKLDE-AWEZNQCLSA-N 2 0 241.423 1.840 20 0 BDADRP C[C@H]1CC[NH2+]C[C@H]1NCc1ccc(Cl)nc1 ZINC000841057643 587940911 /nfs/dbraw/zinc/94/09/11/587940911.db2.gz BSZODMHUPHAMKD-GXSJLCMTSA-N 2 0 239.750 1.823 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000841072956 587942401 /nfs/dbraw/zinc/94/24/01/587942401.db2.gz SYOXTFNZEBVZRA-LNFKQOIKSA-N 2 0 246.445 1.693 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCSC1 ZINC000841073959 587943695 /nfs/dbraw/zinc/94/36/95/587943695.db2.gz BHJZPYPHUJGPBV-UXGOBAPMSA-N 2 0 226.389 1.597 20 0 BDADRP c1cc2c(cc1NC1CC[NH2+]CC1)C[NH2+]CCO2 ZINC000841082138 587944674 /nfs/dbraw/zinc/94/46/74/587944674.db2.gz IFPTXBUQFBUPOF-UHFFFAOYSA-N 2 0 247.342 1.333 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CC[NH2+]C2(C)C)CCO1 ZINC000841086617 587945815 /nfs/dbraw/zinc/94/58/15/587945815.db2.gz OSUSFAQJSDLLHZ-GRYCIOLGSA-N 2 0 226.364 1.532 20 0 BDADRP CC[NH2+]CC(=O)NCC[NH2+]C1CCCCCC1 ZINC000841849156 587978035 /nfs/dbraw/zinc/97/80/35/587978035.db2.gz XZRIOEDFEMZJTD-UHFFFAOYSA-N 2 0 241.379 1.025 20 0 BDADRP CC[C@H]1C(=O)NCC[N@H+]1CCCCCCC[NH3+] ZINC000842472547 588028759 /nfs/dbraw/zinc/02/87/59/588028759.db2.gz ZVULIBCBHIDQGW-LBPRGKRZSA-N 2 0 241.379 1.106 20 0 BDADRP c1ccc([C@@H]2CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)nc1 ZINC000843113926 588082074 /nfs/dbraw/zinc/08/20/74/588082074.db2.gz BOCOUEUZNCGUQY-UONOGXRCSA-N 2 0 245.370 1.871 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc3c(c2)COC3)C1 ZINC000843114953 588082868 /nfs/dbraw/zinc/08/28/68/588082868.db2.gz FISVCPVOZLGVRQ-OAHLLOKOSA-N 2 0 246.354 1.888 20 0 BDADRP C[C@@H]1C[C@@H](NC[C@@]2(C)CCC[NH2+]C2)CC[NH2+]1 ZINC000843126177 588084458 /nfs/dbraw/zinc/08/44/58/588084458.db2.gz NVKPLBNDMRXQGQ-AGIUHOORSA-N 2 0 225.380 1.106 20 0 BDADRP Cc1ccc(C[NH2+]CCCCCC[NH3+])nc1 ZINC000843126491 588084784 /nfs/dbraw/zinc/08/47/84/588084784.db2.gz HBMXJGLVAZAPDG-UHFFFAOYSA-N 2 0 221.348 1.999 20 0 BDADRP C[C@]1(CNc2ccc(OCC[NH3+])cc2)CC[NH2+]C1 ZINC000843126680 588084869 /nfs/dbraw/zinc/08/48/69/588084869.db2.gz TYOAOROTFSOVFG-AWEZNQCLSA-N 2 0 249.358 1.436 20 0 BDADRP [NH3+]CCCCCC[NH2+][C@H]1CCCSC1 ZINC000843128113 588085203 /nfs/dbraw/zinc/08/52/03/588085203.db2.gz ULSRACKDGHLYNO-NSHDSACASA-N 2 0 216.394 1.991 20 0 BDADRP C[C@@H]([NH2+]CCCCCC[NH3+])[C@H]1CCCO1 ZINC000843342731 588100611 /nfs/dbraw/zinc/10/06/11/588100611.db2.gz SRSPKCZFCNBOQM-VXGBXAGGSA-N 2 0 214.353 1.663 20 0 BDADRP CO[C@@H](C)[C@@H](C)[NH2+]CCCCCC[NH3+] ZINC000843341938 588101090 /nfs/dbraw/zinc/10/10/90/588101090.db2.gz LXXSQRMRHNXQRD-MNOVXSKESA-N 2 0 202.342 1.519 20 0 BDADRP Cc1nccnc1[C@@H](C)[NH2+]CCCCCC[NH3+] ZINC000843342822 588101325 /nfs/dbraw/zinc/10/13/25/588101325.db2.gz UUSWUNVLPQYVOK-LLVKDONJSA-N 2 0 236.363 1.955 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCCCCC[NH3+])[C@H](C)O1 ZINC000843342948 588101379 /nfs/dbraw/zinc/10/13/79/588101379.db2.gz VPSGQUAXCWQVRL-WOPDTQHZSA-N 2 0 214.353 1.661 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCCCCC[NH3+] ZINC000843344101 588101541 /nfs/dbraw/zinc/10/15/41/588101541.db2.gz QMBGDENJAXPNFD-QWHCGFSZSA-N 3 0 227.396 1.483 20 0 BDADRP CCCCOC(=O)CC[N@H+](C)C1CC[NH2+]CC1 ZINC000843345664 588102059 /nfs/dbraw/zinc/10/20/59/588102059.db2.gz CQVRBRMDEFVZND-UHFFFAOYSA-N 2 0 242.363 1.404 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@H+](CCCCCCC[NH3+])C1 ZINC000843345974 588102119 /nfs/dbraw/zinc/10/21/19/588102119.db2.gz IJYVJGKTSZEVCN-CQSZACIVSA-N 3 0 241.423 1.827 20 0 BDADRP NC[C@H]1CCCC[N@@H+]1CCCCCCC[NH3+] ZINC000843348148 588102233 /nfs/dbraw/zinc/10/22/33/588102233.db2.gz YUNNIRJAAJVTDK-CYBMUJFWSA-N 2 0 227.396 1.709 20 0 BDADRP [NH3+]CCCCCCC[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000843348774 588102709 /nfs/dbraw/zinc/10/27/09/588102709.db2.gz XJRRBNROUADFLQ-LBPRGKRZSA-N 3 0 213.369 1.176 20 0 BDADRP CC(C)[C@](C)(CN)[NH2+]CCCCCCC[NH3+] ZINC000843356496 588102864 /nfs/dbraw/zinc/10/28/64/588102864.db2.gz SGKRMBXDOLFYOZ-ZDUSSCGKSA-N 2 0 229.412 1.859 20 0 BDADRP CC(C)OC(=O)CC[N@H+](C)C1CCC([NH3+])CC1 ZINC000843354593 588102988 /nfs/dbraw/zinc/10/29/88/588102988.db2.gz DSDSKKMFIOYOCU-UHFFFAOYSA-N 2 0 242.363 1.530 20 0 BDADRP C[C@H]1C[N@H+](CCCCCCC[NH3+])CC[C@H]1[NH3+] ZINC000843354288 588103315 /nfs/dbraw/zinc/10/33/15/588103315.db2.gz XNYIWZODGKSEAZ-QWHCGFSZSA-N 3 0 227.396 1.565 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCCCCCC[NH3+])C1 ZINC000843364529 588104435 /nfs/dbraw/zinc/10/44/35/588104435.db2.gz LMYAGVVSKFQNJB-QWHCGFSZSA-N 3 0 227.396 1.565 20 0 BDADRP C[C@@H](c1cnccn1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364708 588104649 /nfs/dbraw/zinc/10/46/49/588104649.db2.gz LQAMOQGDKFUIDD-LBPRGKRZSA-N 2 0 246.358 1.613 20 0 BDADRP CCCOC(=O)[C@H](C)N1CCCC[C@H]1CC[NH3+] ZINC000843384369 588105674 /nfs/dbraw/zinc/10/56/74/588105674.db2.gz OCQGTPIGBJZGMB-RYUDHWBXSA-N 2 0 242.363 1.531 20 0 BDADRP CN(Cc1ccc2c(c1)COC2)[C@H](C[NH3+])C1CC1 ZINC000843386339 588105798 /nfs/dbraw/zinc/10/57/98/588105798.db2.gz HCUUXJQXEDTHKM-OAHLLOKOSA-N 2 0 246.354 1.886 20 0 BDADRP [NH3+]CCCCCCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000843505760 588117268 /nfs/dbraw/zinc/11/72/68/588117268.db2.gz LUIQGYSFFYWBJA-VXGBXAGGSA-N 2 0 241.379 1.139 20 0 BDADRP CCC(CC)(C[NH3+])C(=O)NCCCCCC[NH3+] ZINC000843512803 588118042 /nfs/dbraw/zinc/11/80/42/588118042.db2.gz QPIOLXRYIQQRMZ-UHFFFAOYSA-N 2 0 243.395 1.387 20 0 BDADRP CC[NH2+]CC(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000844182012 588172476 /nfs/dbraw/zinc/17/24/76/588172476.db2.gz HSZHZFJKETXVHQ-UHFFFAOYSA-N 2 0 249.358 1.339 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+]CCC2(C[NH3+])CC2)CCO1 ZINC000844904128 588219007 /nfs/dbraw/zinc/21/90/07/588219007.db2.gz ZTUXKCUWMHUPET-CHWSQXEVSA-N 2 0 240.391 1.910 20 0 BDADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)CCO ZINC000846178048 588259174 /nfs/dbraw/zinc/25/91/74/588259174.db2.gz SQYHQELRYGRTCM-LBPRGKRZSA-N 2 0 216.369 1.325 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](CCCCCC[NH3+])CC1 ZINC000846218559 588260866 /nfs/dbraw/zinc/26/08/66/588260866.db2.gz YPLKIJLOMLYMSW-GFCCVEGCSA-N 3 0 227.396 1.565 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000846220322 588261006 /nfs/dbraw/zinc/26/10/06/588261006.db2.gz FXHXMLHPQNPTIJ-ZDUSSCGKSA-N 3 0 227.396 1.709 20 0 BDADRP C[C@@H]1CCN[C@H](C)[C@@H]1[NH2+]CCCCCC[NH3+] ZINC000846221166 588261273 /nfs/dbraw/zinc/26/12/73/588261273.db2.gz ULKUPBSCWIYYNL-JHJVBQTASA-N 2 0 227.396 1.482 20 0 BDADRP CCN1C[C@@H](C)[N@H+](CCCCCC[NH3+])C[C@H]1C ZINC000846221267 588261367 /nfs/dbraw/zinc/26/13/67/588261367.db2.gz VWRWDUPLYANRQS-ZIAGYGMSSA-N 2 0 241.423 1.920 20 0 BDADRP [NH3+]CCCCCC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000846220780 588261407 /nfs/dbraw/zinc/26/14/07/588261407.db2.gz PYFRVGAKDZAQBH-UHFFFAOYSA-N 3 0 239.407 1.581 20 0 BDADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCF)C1 ZINC000846227761 588262080 /nfs/dbraw/zinc/26/20/80/588262080.db2.gz HDUNOFSXQZXOKI-UTUOFQBUSA-N 2 0 230.327 1.317 20 0 BDADRP C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1cccc(C[NH3+])c1 ZINC000846744352 588284401 /nfs/dbraw/zinc/28/44/01/588284401.db2.gz YXTYAPAIKVECBS-GWCFXTLKSA-N 2 0 247.342 1.097 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCOc2cccnc2)C1 ZINC000848718125 588407986 /nfs/dbraw/zinc/40/79/86/588407986.db2.gz YHRSMEYSTGSOCU-VXGBXAGGSA-N 2 0 235.331 1.320 20 0 BDADRP Cc1ccc([C@H](O)C[NH2+][C@H]2CCC[C@H]([NH3+])C2)o1 ZINC000848719566 588408571 /nfs/dbraw/zinc/40/85/71/588408571.db2.gz JUDUSSFQUKHJLZ-SDDRHHMPSA-N 2 0 238.331 1.481 20 0 BDADRP CC(C)(C)NC(=[NH2+])NCCC[NH+]1CCCCC1 ZINC000848982692 588422729 /nfs/dbraw/zinc/42/27/29/588422729.db2.gz YIPNQTAYDNSJLL-UHFFFAOYSA-N 2 0 240.395 1.775 20 0 BDADRP CC[C@@H](C)NC(=[NH2+])NCC(C)(C)[NH+](C)C ZINC000848981635 588423530 /nfs/dbraw/zinc/42/35/30/588423530.db2.gz HOBIWSJBMHGMSP-SECBINFHSA-N 2 0 214.357 1.239 20 0 BDADRP CC(C)NC(=[NH2+])NCC1([NH+](C)C)CCCCC1 ZINC000848981192 588423731 /nfs/dbraw/zinc/42/37/31/588423731.db2.gz ZDSRIVMKWFSIFQ-UHFFFAOYSA-N 2 0 240.395 1.773 20 0 BDADRP CC(C)[NH+](CCCNC(=[NH2+])N1CCC1)C(C)C ZINC000849010833 588434982 /nfs/dbraw/zinc/43/49/82/588434982.db2.gz NBELTVDSOWCYLS-UHFFFAOYSA-N 2 0 240.395 1.725 20 0 BDADRP CC(C)NC(=[NH2+])NCC1(C[NH+](C)C)CCCC1 ZINC000849018964 588438277 /nfs/dbraw/zinc/43/82/77/588438277.db2.gz SNVQVYBGZBDKLU-UHFFFAOYSA-N 2 0 240.395 1.631 20 0 BDADRP CCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC(C)C ZINC000849027963 588441426 /nfs/dbraw/zinc/44/14/26/588441426.db2.gz SPEZATYHGZPWCT-NSHDSACASA-N 2 0 226.368 1.383 20 0 BDADRP CC(C)CCNC(=[NH2+])NC[C@H](C)C[NH+](C)C ZINC000849030646 588442782 /nfs/dbraw/zinc/44/27/82/588442782.db2.gz QQARFPVORZYJRY-NSHDSACASA-N 2 0 228.384 1.344 20 0 BDADRP C[N@H+](CCCCNC1=[NH+]CCCCN1)C1CC1 ZINC000849216621 588462765 /nfs/dbraw/zinc/46/27/65/588462765.db2.gz NFCIRONYRKFCHD-UHFFFAOYSA-N 2 0 238.379 1.190 20 0 BDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CC[C@@H]1C ZINC000850499927 588552286 /nfs/dbraw/zinc/55/22/86/588552286.db2.gz ANVCUIIIDUAYCY-IHRRRGAJSA-N 2 0 241.423 1.647 20 0 BDADRP C[N@H+](CCOC(F)F)C[C@H]1CCC[NH+](C)C1 ZINC000851782026 588627768 /nfs/dbraw/zinc/62/77/68/588627768.db2.gz KAFAEKPNYTUPKV-JTQLQIEISA-N 2 0 236.306 1.499 20 0 BDADRP FC(F)OCC[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000852743891 588699156 /nfs/dbraw/zinc/69/91/56/588699156.db2.gz NFLOOUOTIWKHLE-UHFFFAOYSA-N 2 0 234.290 1.442 20 0 BDADRP C([C@@H]1CNCCO1)[N@@H+]1CCCC2(CCCC2)C1 ZINC000852750038 588699950 /nfs/dbraw/zinc/69/99/50/588699950.db2.gz LYEHFYWHSSJHTA-ZDUSSCGKSA-N 2 0 238.375 1.631 20 0 BDADRP C[N@H+](CCCCCCC[NH3+])C[C@@H]1COCCO1 ZINC000852755894 588700539 /nfs/dbraw/zinc/70/05/39/588700539.db2.gz KLZYCNYCZVZNRV-CYBMUJFWSA-N 2 0 244.379 1.243 20 0 BDADRP Cc1nc(C)c(C[NH2+]CCOCCC[NH3+])s1 ZINC000863484022 589293011 /nfs/dbraw/zinc/29/30/11/589293011.db2.gz GMMWGAGSQJBJCB-UHFFFAOYSA-N 2 0 243.376 1.215 20 0 BDADRP CC[C@H]1C[C@@H](C[NH2+]CCOCCC[NH3+])CCO1 ZINC000863486137 589293102 /nfs/dbraw/zinc/29/31/02/589293102.db2.gz DZIIFAFMZIARPM-STQMWFEESA-N 2 0 244.379 1.147 20 0 BDADRP C[NH2+]CCOCC[NH2+]C1CCCCCCC1 ZINC000863484268 589293476 /nfs/dbraw/zinc/29/34/76/589293476.db2.gz VKRBJOJFCMEDEI-UHFFFAOYSA-N 2 0 228.380 1.925 20 0 BDADRP C[C@@H]1C[C@@H](N[C@@H]2CC[NH2+]C23CCC3)CC[NH2+]1 ZINC000863541168 589297055 /nfs/dbraw/zinc/29/70/55/589297055.db2.gz HCKUNURSYAXGHC-GRYCIOLGSA-N 2 0 223.364 1.001 20 0 BDADRP Cc1cnccc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000863541683 589297206 /nfs/dbraw/zinc/29/72/06/589297206.db2.gz LTBAGSIHNJMNLG-UHFFFAOYSA-N 2 0 245.370 1.966 20 0 BDADRP Nc1ncccc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000863541465 589297310 /nfs/dbraw/zinc/29/73/10/589297310.db2.gz JGPDUGSFBZHYKZ-UHFFFAOYSA-N 2 0 246.358 1.239 20 0 BDADRP C[C@H](CC(C)(C)C)[NH2+]CC1([NH3+])CCOCC1 ZINC000863541495 589297339 /nfs/dbraw/zinc/29/73/39/589297339.db2.gz MJKPOSQJTSXJKZ-LLVKDONJSA-N 2 0 228.380 1.909 20 0 BDADRP CC(C)[C@H]1CC[C@H]1[NH2+]CCOCCC[NH3+] ZINC000863546619 589297921 /nfs/dbraw/zinc/29/79/21/589297921.db2.gz LUNABKBXKHGFDR-VXGBXAGGSA-N 2 0 214.353 1.376 20 0 BDADRP CC(C)[C@H]1CNCC[N@@H+]1CCCCCCC[NH3+] ZINC000863546567 589298070 /nfs/dbraw/zinc/29/80/70/589298070.db2.gz LBFJKYXGZJIHHP-CQSZACIVSA-N 2 0 241.423 1.825 20 0 BDADRP C[C@H]([NH3+])CN(C)CCO[C@H]1CCCC[C@@H]1C ZINC000863568190 589300245 /nfs/dbraw/zinc/30/02/45/589300245.db2.gz IKGUNWDHMVTCLC-AVGNSLFASA-N 2 0 228.380 1.861 20 0 BDADRP c1cc(C2=CC[NH2+]CC2)cc2c1C[NH2+]C2 ZINC000863712541 589312428 /nfs/dbraw/zinc/31/24/28/589312428.db2.gz ZPXGYMWQVIXIJA-UHFFFAOYSA-N 2 0 200.285 1.667 20 0 BDADRP CC[C@H](CNC(=[NH2+])N[C@H]1C[C@@H]1C)[NH+]1CCCC1 ZINC000864453208 589365402 /nfs/dbraw/zinc/36/54/02/589365402.db2.gz LJQBACSPIJFOPF-TUAOUCFPSA-N 2 0 238.379 1.383 20 0 BDADRP CCC(CC)NC(=[NH2+])NC[C@@H](C)[N@H+](C)C1CC1 ZINC000864456377 589366902 /nfs/dbraw/zinc/36/69/02/589366902.db2.gz HFSHVXZJDZLFBX-SNVBAGLBSA-N 2 0 240.395 1.772 20 0 BDADRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])N[C@H]2C[C@@H]2C)C1 ZINC000864456268 589367154 /nfs/dbraw/zinc/36/71/54/589367154.db2.gz HKLINPXQDOGCFG-TUAOUCFPSA-N 2 0 238.379 1.241 20 0 BDADRP CCC(CC)NC(=[NH2+])NCC[N@@H+]1CC[C@H](C)C1 ZINC000864457861 589367920 /nfs/dbraw/zinc/36/79/20/589367920.db2.gz VMVAFDTXBXWKKK-NSHDSACASA-N 2 0 240.395 1.631 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CN1CCC1SCCS1 ZINC000866681697 589511120 /nfs/dbraw/zinc/51/11/20/589511120.db2.gz BAENJWUGIOVOJL-RKDXNWHRSA-N 2 0 232.418 1.604 20 0 BDADRP CC1(C)C[C@H](O)C[N@H+](CCCCCC[NH3+])C1 ZINC000866703004 589514042 /nfs/dbraw/zinc/51/40/42/589514042.db2.gz IFIILFOMKDNOPO-LBPRGKRZSA-N 2 0 228.380 1.598 20 0 BDADRP COC[C@H](C)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866706215 589514549 /nfs/dbraw/zinc/51/45/49/589514549.db2.gz NGRBMERKKSLHGX-WCQYABFASA-N 2 0 228.380 1.718 20 0 BDADRP Cc1cncc([C@@H]2CCC[N@@H+]2CCOCC[NH3+])c1 ZINC000866719805 589515256 /nfs/dbraw/zinc/51/52/56/589515256.db2.gz DJZLOSUOLNTCMT-AWEZNQCLSA-N 2 0 249.358 1.502 20 0 BDADRP [NH3+]CCCCCCCN1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866724407 589515808 /nfs/dbraw/zinc/51/58/08/589515808.db2.gz KDAIEIWTHTWMMU-KGLIPLIRSA-N 2 0 239.407 1.722 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H]2CCCOC2)CC[C@@H]1[NH3+] ZINC000122263253 589573445 /nfs/dbraw/zinc/57/34/45/589573445.db2.gz ABSJXLIEXNCAMA-XQQFMLRXSA-N 2 0 226.364 1.472 20 0 BDADRP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000872141813 589882225 /nfs/dbraw/zinc/88/22/25/589882225.db2.gz URENPENCVXGHOE-OLZOCXBDSA-N 2 0 240.391 1.909 20 0 BDADRP CO[C@H]1C[C@@H](C[N@H+](C2CC2)C2CC[NH2+]CC2)C1 ZINC000872141978 589882384 /nfs/dbraw/zinc/88/23/84/589882384.db2.gz DLYUUERNNGFAQT-VDISTLRHSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@](C[NH3+])([NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1)C1CC1 ZINC000872141608 589882675 /nfs/dbraw/zinc/88/26/75/589882675.db2.gz LMBMEPOIHOEVHO-SCUASFONSA-N 2 0 238.375 1.661 20 0 BDADRP [NH3+]C1CC[NH+](C[C@@H]2CC3(CCC3)CO2)CC1 ZINC000872142494 589883556 /nfs/dbraw/zinc/88/35/56/589883556.db2.gz XWPVSBRZDONNPW-LBPRGKRZSA-N 2 0 224.348 1.369 20 0 BDADRP C[N@H+](CCCCCC[NH3+])Cc1cccnc1N ZINC000872158221 589886539 /nfs/dbraw/zinc/88/65/39/589886539.db2.gz UBJXSCCKOTYJNY-UHFFFAOYSA-N 2 0 236.363 1.615 20 0 BDADRP C[N@H+](CCCCCC[NH3+])C[C@@H]1CC[NH2+]C1 ZINC000872154918 589886562 /nfs/dbraw/zinc/88/65/62/589886562.db2.gz FHWDTQPUGZHXNL-GFCCVEGCSA-N 3 0 213.369 1.047 20 0 BDADRP COCC[C@@H](C)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000872253881 589901341 /nfs/dbraw/zinc/90/13/41/589901341.db2.gz LRUMXUDRYJLDON-NEPJUHHUSA-N 2 0 228.380 1.779 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@]12CCC[C@H]1OCC2 ZINC000872315056 589910280 /nfs/dbraw/zinc/91/02/80/589910280.db2.gz LCXLLFUEPIANGF-MCIONIFRSA-N 2 0 238.375 1.772 20 0 BDADRP C[C@@H]([NH3+])CN(C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873212077 589995777 /nfs/dbraw/zinc/99/57/77/589995777.db2.gz GXBWWJFLVWSLHM-SECBINFHSA-N 2 0 239.388 1.173 20 0 BDADRP C1O[C@H]2[C@H]([NH2+][C@@H]3CCC[NH2+]CC3)[C@H]3C[C@H]1[C@@H]2C3 ZINC000873217712 589998131 /nfs/dbraw/zinc/99/81/31/589998131.db2.gz QDLZMMFYZYBTFZ-GMDXDWKASA-N 2 0 236.359 1.142 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)C1CC[NH2+]CC1 ZINC000873220690 589998490 /nfs/dbraw/zinc/99/84/90/589998490.db2.gz RIBFEMFVJCNJEI-WCQYABFASA-N 3 0 225.380 1.106 20 0 BDADRP C[C@]1(C[N@@H+]2C[C@H](O)CC(C)(C)C2)CC[NH2+]C1 ZINC000873218961 589998525 /nfs/dbraw/zinc/99/85/25/589998525.db2.gz BDXRXYNIDURMTA-YPMHNXCESA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@]1(C[N@@H+]2C[C@@H](O)CC(C)(C)C2)CC[NH2+]C1 ZINC000873218960 589998964 /nfs/dbraw/zinc/99/89/64/589998964.db2.gz BDXRXYNIDURMTA-WCQYABFASA-N 2 0 226.364 1.079 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000873218968 589998991 /nfs/dbraw/zinc/99/89/91/589998991.db2.gz BHRRUNHBZLMNET-IHRRRGAJSA-N 2 0 239.407 1.386 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)C1CC[NH2+]CC1 ZINC000873220689 589999091 /nfs/dbraw/zinc/99/90/91/589999091.db2.gz RIBFEMFVJCNJEI-DGCLKSJQSA-N 3 0 225.380 1.106 20 0 BDADRP C[N@@H+]1CC[C@@H]2CN(CC[NH2+]C(C)(C)C)CC[C@H]21 ZINC000873222053 589999749 /nfs/dbraw/zinc/99/97/49/589999749.db2.gz YCVJGNOOXVYPEZ-CHWSQXEVSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccnn1C ZINC000873223831 590000638 /nfs/dbraw/zinc/00/06/38/590000638.db2.gz UAVXRYDTMMFNFD-UMSGYPCISA-N 2 0 248.374 1.459 20 0 BDADRP C(C[C@@H]1CCOC1)[NH2+][C@]12CCC[C@@H]1[NH2+]CC2 ZINC000873231049 590002758 /nfs/dbraw/zinc/00/27/58/590002758.db2.gz FQEALWBLVPQNCM-AGIUHOORSA-N 2 0 224.348 1.287 20 0 BDADRP CN(CCCCCC[NH3+])CC12CC(C1)C[NH2+]2 ZINC000873231592 590003387 /nfs/dbraw/zinc/00/33/87/590003387.db2.gz QLVVNDMONZHMKT-UHFFFAOYSA-N 2 0 225.380 1.189 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC[C@@H]1CCSC1 ZINC000873234678 590004155 /nfs/dbraw/zinc/00/41/55/590004155.db2.gz FNERCZYRHPOVMO-GARJFASQSA-N 2 0 216.394 1.845 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@H]1NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000873234145 590004506 /nfs/dbraw/zinc/00/45/06/590004506.db2.gz CSVIIDYNGVWPON-JHJVBQTASA-N 2 0 239.407 1.304 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CCSC1)[C@@H]1CCC[NH2+]1 ZINC000873235542 590004621 /nfs/dbraw/zinc/00/46/21/590004621.db2.gz OEPWEZRZIDGXDS-UTUOFQBUSA-N 2 0 228.405 1.860 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000873236875 590004779 /nfs/dbraw/zinc/00/47/79/590004779.db2.gz JWZHAMUNRQWUFV-SDDRHHMPSA-N 2 0 227.396 1.480 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1F ZINC000873239617 590005428 /nfs/dbraw/zinc/00/54/28/590005428.db2.gz ZEQKNGMYUISLOH-FIQHERPVSA-N 2 0 214.328 1.984 20 0 BDADRP Fc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000873242303 590006359 /nfs/dbraw/zinc/00/63/59/590006359.db2.gz OXAJOWLLCGHFBE-YNEHKIRRSA-N 2 0 249.333 1.698 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)c2nccn21 ZINC000873249281 590007629 /nfs/dbraw/zinc/00/76/29/590007629.db2.gz KDZFXTJOGXDJIV-CHWFTXMASA-N 2 0 220.320 1.216 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CC[C@H]2C2CCC2)C1 ZINC000873250598 590008141 /nfs/dbraw/zinc/00/81/41/590008141.db2.gz QBSDGRAPSUMKCZ-ZBAXXZLZSA-N 2 0 208.349 1.892 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CC[C@@H]2C2CCC2)C1 ZINC000873250593 590008250 /nfs/dbraw/zinc/00/82/50/590008250.db2.gz QBSDGRAPSUMKCZ-GWNIPJSYSA-N 2 0 208.349 1.892 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000873252926 590008888 /nfs/dbraw/zinc/00/88/88/590008888.db2.gz SNLLAPXVUIPTFQ-XCCSTKFXSA-N 2 0 240.391 1.765 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cnn(C)c1 ZINC000873254236 590009384 /nfs/dbraw/zinc/00/93/84/590009384.db2.gz OEYQELWVDJXUAG-WCQGTBRESA-N 2 0 222.336 1.198 20 0 BDADRP COc1ccc(C[C@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)cn1 ZINC000873254760 590010144 /nfs/dbraw/zinc/01/01/44/590010144.db2.gz BVFYUZWIPPBPEC-DRZSPHRISA-N 2 0 249.358 1.348 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)[C@H]1CCOC1 ZINC000873256739 590011492 /nfs/dbraw/zinc/01/14/92/590011492.db2.gz PWELUCBHHHCSFJ-BJDJZHNGSA-N 2 0 212.337 1.128 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)[C@H]1CCCOC1 ZINC000873256410 590011634 /nfs/dbraw/zinc/01/16/34/590011634.db2.gz MKCUBRKIHJUDEE-BJDJZHNGSA-N 2 0 212.337 1.128 20 0 BDADRP Cc1ccncc1[C@H](C)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873257835 590012173 /nfs/dbraw/zinc/01/21/73/590012173.db2.gz VDXKDWSMZZTSSV-SRVKXCTJSA-N 2 0 219.332 1.778 20 0 BDADRP Cc1ccncc1[C@@H](C)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873257832 590012439 /nfs/dbraw/zinc/01/24/39/590012439.db2.gz VDXKDWSMZZTSSV-IJLUTSLNSA-N 2 0 219.332 1.778 20 0 BDADRP C([NH2+]C1CCOCC1)[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873259411 590013313 /nfs/dbraw/zinc/01/33/13/590013313.db2.gz DPKAATDAXWBUQP-LMKPVCQUSA-N 2 0 224.348 1.286 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000873265370 590014706 /nfs/dbraw/zinc/01/47/06/590014706.db2.gz VGXNJEQFJAGSBK-YHQUGGNUSA-N 2 0 238.375 1.674 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCOC1 ZINC000873265735 590014948 /nfs/dbraw/zinc/01/49/48/590014948.db2.gz XJJMFDZIXMPAIE-PEBLQZBPSA-N 2 0 238.375 1.532 20 0 BDADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC[NH2+]CC1 ZINC000873269614 590015474 /nfs/dbraw/zinc/01/54/74/590015474.db2.gz IOGHJOCDZWKVGR-BKQLOGFTSA-N 3 0 237.391 1.247 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCO[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000873268121 590015641 /nfs/dbraw/zinc/01/56/41/590015641.db2.gz RKFXUOIUTQSEEA-DMDPSCGWSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])C1CC[NH2+]CC1 ZINC000873270215 590016505 /nfs/dbraw/zinc/01/65/05/590016505.db2.gz PLSVNLACQWFQCI-GARJFASQSA-N 3 0 213.369 1.090 20 0 BDADRP C[C@@H]([NH2+]CCC[C@@H]1C=CCC1)C1C[NH2+]C1 ZINC000873281156 590018437 /nfs/dbraw/zinc/01/84/37/590018437.db2.gz GFXWQJVSFNLQCU-VXGBXAGGSA-N 2 0 208.349 1.930 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCC[C@@H]1CCOC1=O ZINC000873282257 590019032 /nfs/dbraw/zinc/01/90/32/590019032.db2.gz GPRYQPFWHLBSIS-GRYCIOLGSA-N 2 0 240.347 1.047 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc2oc(=O)[nH]c2c1 ZINC000873285089 590020171 /nfs/dbraw/zinc/02/01/71/590020171.db2.gz XXTKQWDHJQJTJU-RKDXNWHRSA-N 2 0 249.314 1.749 20 0 BDADRP CC(C)[C@@H](C)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291215 590023337 /nfs/dbraw/zinc/02/33/37/590023337.db2.gz VUYXUMPNJDBDKU-CHWSQXEVSA-N 2 0 240.391 1.779 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000873296933 590025229 /nfs/dbraw/zinc/02/52/29/590025229.db2.gz NWLWCBSKEFUXJV-RRFJBIMHSA-N 2 0 245.370 1.170 20 0 BDADRP CC[NH2+][C@@H](C)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877138467 590291766 /nfs/dbraw/zinc/29/17/66/590291766.db2.gz JDLOEDORLDXMNZ-TVYUQYBPSA-N 2 0 247.342 1.438 20 0 BDADRP CN(CCCCCC[NH3+])C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000877437556 590324083 /nfs/dbraw/zinc/32/40/83/590324083.db2.gz KIQWJOSSBHFUIQ-NEPJUHHUSA-N 2 0 241.379 1.091 20 0 BDADRP CN(CCCCCC[NH3+])C(=O)CC1([NH3+])CCC1 ZINC000877441649 590328438 /nfs/dbraw/zinc/32/84/38/590328438.db2.gz JTCHBWFJAMZGPB-UHFFFAOYSA-N 2 0 241.379 1.235 20 0 BDADRP CN(CCCCCC[NH3+])C(=O)[C@@H]1CCCC[NH2+]1 ZINC000877446409 590329233 /nfs/dbraw/zinc/32/92/33/590329233.db2.gz YOTIQUROAQADLH-LBPRGKRZSA-N 2 0 241.379 1.106 20 0 BDADRP CC(C)CN1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000877669576 590389518 /nfs/dbraw/zinc/38/95/18/590389518.db2.gz PBBJFFQSGONRTB-ZIAGYGMSSA-N 3 0 241.423 1.314 20 0 BDADRP C[NH+](C)C1(CN[C@H]2CCC[NH2+]CC2)CCCC1 ZINC000129352522 591283643 /nfs/dbraw/zinc/28/36/43/591283643.db2.gz BFBDEOZBYNICNL-ZDUSSCGKSA-N 2 0 239.407 1.593 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C[C@H](O)c2ccccc2)CC[N@@H+]1C ZINC000129611191 591340304 /nfs/dbraw/zinc/34/03/04/591340304.db2.gz MMILFXRAWYPNRF-CFVMTHIKSA-N 2 0 248.370 1.792 20 0 BDADRP [NH3+]CCCCCCC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000129758289 591393039 /nfs/dbraw/zinc/39/30/39/591393039.db2.gz URZBEYVGKCPDRB-LBPRGKRZSA-N 2 0 241.379 1.011 20 0 BDADRP COC[C@H]1C[C@@H]([NH2+]Cc2cnccc2N(C)C)C1 ZINC000883316035 591612390 /nfs/dbraw/zinc/61/23/90/591612390.db2.gz IDGHADOVVVNHTR-BJHJDKERSA-N 2 0 249.358 1.662 20 0 BDADRP CCN1CC[C@@H]1C[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000883354093 591624831 /nfs/dbraw/zinc/62/48/31/591624831.db2.gz KOZOXNPXFWJGDI-MCIONIFRSA-N 2 0 239.407 1.401 20 0 BDADRP C=C/C=C/CCN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000883429393 591660266 /nfs/dbraw/zinc/66/02/66/591660266.db2.gz UMJICPUJCCPLRQ-HORCIZIBSA-N 2 0 206.333 1.803 20 0 BDADRP C[NH2+]C[C@H]1CCCCN1CCCCCCC[NH3+] ZINC000883449890 591671203 /nfs/dbraw/zinc/67/12/03/591671203.db2.gz PNYXUYPORWFVQQ-CQSZACIVSA-N 2 0 241.423 1.970 20 0 BDADRP CC(C)C[C@@H](C(N)=O)[N@H+](C)CCCCCC[NH3+] ZINC000883462165 591673876 /nfs/dbraw/zinc/67/38/76/591673876.db2.gz LBRHFLDYMPTBJP-LBPRGKRZSA-N 2 0 243.395 1.337 20 0 BDADRP [NH3+]CCC[N@H+]1Cc2ccccc2N2CCC[C@@H]2C1 ZINC000883462358 591674019 /nfs/dbraw/zinc/67/40/19/591674019.db2.gz PFSGWDUKOIMASP-CQSZACIVSA-N 2 0 245.370 1.820 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000883459930 591674560 /nfs/dbraw/zinc/67/45/60/591674560.db2.gz KZOHZVDCTFJUKY-STQMWFEESA-N 2 0 238.375 1.629 20 0 BDADRP C[C@@H]1[C@H](C)SCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000132466252 591710636 /nfs/dbraw/zinc/71/06/36/591710636.db2.gz PKUOKWUKAAIKER-WOPDTQHZSA-N 2 0 228.405 1.812 20 0 BDADRP CC1(C)C[NH2+]C[C@H]1C(=O)Nc1cccc(C[NH3+])c1 ZINC000884006870 591793957 /nfs/dbraw/zinc/79/39/57/591793957.db2.gz GRAJEKJVFVIOGN-LBPRGKRZSA-N 2 0 247.342 1.329 20 0 BDADRP C[NH2+]Cc1ccccc1NC(=O)[C@@H]([NH3+])CC1CC1 ZINC000884013719 591798415 /nfs/dbraw/zinc/79/84/15/591798415.db2.gz QOEUBSHVTKTYOR-LBPRGKRZSA-N 2 0 247.342 1.472 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)[C@H](CC(C)C)[NH2+]C ZINC000884042717 591824352 /nfs/dbraw/zinc/82/43/52/591824352.db2.gz GSTZBALHOPJMTN-RYUDHWBXSA-N 2 0 243.395 1.254 20 0 BDADRP C[NH2+][C@@H](CC(C)C)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000884416054 591928100 /nfs/dbraw/zinc/92/81/00/591928100.db2.gz OSKQFKFOBUEMIG-NEPJUHHUSA-N 2 0 243.395 1.110 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](C/C=C\Cl)CC1 ZINC000215389312 591946209 /nfs/dbraw/zinc/94/62/09/591946209.db2.gz BLFRYMJAYWTYSO-ANTNXHBISA-N 2 0 202.729 1.798 20 0 BDADRP COc1ccccc1CC[NH2+]C1CC[NH2+]CC1 ZINC000215950696 591998919 /nfs/dbraw/zinc/99/89/19/591998919.db2.gz AGYHDRAMTJDOCY-UHFFFAOYSA-N 2 0 234.343 1.579 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 ZINC000886840171 592360512 /nfs/dbraw/zinc/36/05/12/592360512.db2.gz VGVNGOIMCROIQM-REWJHTLYSA-N 2 0 238.375 1.804 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+]C2CC(OC)C2)C1 ZINC000220843805 592365857 /nfs/dbraw/zinc/36/58/57/592365857.db2.gz ZHMMEGBTPGQYSB-VOMCLLRMSA-N 2 0 212.337 1.095 20 0 BDADRP CCOCC[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886865319 592373168 /nfs/dbraw/zinc/37/31/68/592373168.db2.gz HHMLNJYWSIMMKS-CYBMUJFWSA-N 2 0 226.364 1.489 20 0 BDADRP C[C@H](O)CC[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887134852 592450059 /nfs/dbraw/zinc/45/00/59/592450059.db2.gz RCQFNHRNXSUIBW-OLZOCXBDSA-N 2 0 249.358 1.363 20 0 BDADRP CC[C@@H](C)[N@H+](C)CCNC(=[NH2+])NCC1CC1 ZINC000887352849 592486013 /nfs/dbraw/zinc/48/60/13/592486013.db2.gz QJRVWTSVXMSSON-SNVBAGLBSA-N 2 0 226.368 1.241 20 0 BDADRP [NH2+]=C(NCc1ccc2c[nH+]cn2c1)NCC1CC1 ZINC000887361995 592491435 /nfs/dbraw/zinc/49/14/35/592491435.db2.gz RWRXOHSUYCALLG-UHFFFAOYSA-N 2 0 243.314 1.358 20 0 BDADRP C(C[N@@H+]1CCC2(CCCC2)C1)N1CC[NH2+]CC1 ZINC000302496448 592548745 /nfs/dbraw/zinc/54/87/45/592548745.db2.gz KDNRWAHVBKEMMW-UHFFFAOYSA-N 2 0 237.391 1.158 20 0 BDADRP C(C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C[C@@H]1CCC[NH2+]1 ZINC000925704454 634384843 /nfs/dbraw/zinc/38/48/43/634384843.db2.gz GWXVPNWGZKJIND-PMKSJIGOSA-N 3 0 249.402 1.105 20 0 BDADRP CCCCC[C@H](CC)N(CC[NH3+])CC[NH3+] ZINC001246835435 988530856 /nfs/dbraw/zinc/53/08/56/988530856.db2.gz XMVIAPFPVNVXPG-LBPRGKRZSA-N 2 0 215.385 1.565 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)C12CCC2 ZINC000925705272 634388860 /nfs/dbraw/zinc/38/88/60/634388860.db2.gz AYOMFNWNVGDVMH-LDMBFOFVSA-N 2 0 222.332 1.166 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925706783 634391631 /nfs/dbraw/zinc/39/16/31/634391631.db2.gz KLOJWLZEUUTWMY-RNJOBUHISA-N 3 0 239.407 1.480 20 0 BDADRP Cc1ccncc1CC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925709577 634407132 /nfs/dbraw/zinc/40/71/32/634407132.db2.gz VMUFHQWEUSUQML-KGLIPLIRSA-N 2 0 245.370 1.792 20 0 BDADRP C[C@@H](Cc1ccccn1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000925710558 634408734 /nfs/dbraw/zinc/40/87/34/634408734.db2.gz WZENOLBESGQMCO-ZDUSSCGKSA-N 2 0 245.370 1.864 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000925714452 634426583 /nfs/dbraw/zinc/42/65/83/634426583.db2.gz YTWSDSOZSBRGMJ-CLPYTZEMSA-N 2 0 238.375 1.802 20 0 BDADRP CC1(C)COC[C@H]1[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000313096408 634449010 /nfs/dbraw/zinc/44/90/10/634449010.db2.gz DMZUZSAUKGHKKA-DGCLKSJQSA-N 2 0 238.375 1.485 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925717704 634455137 /nfs/dbraw/zinc/45/51/37/634455137.db2.gz DKAULNURTIARAB-BEAPCOKYSA-N 2 0 247.386 1.805 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2COCC2(C)C)CC1 ZINC000313117644 634451200 /nfs/dbraw/zinc/45/12/00/634451200.db2.gz PPHICDUGNFXRTE-GFCCVEGCSA-N 2 0 240.391 1.733 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000925724516 634495341 /nfs/dbraw/zinc/49/53/41/634495341.db2.gz ZJLZTADSPQETIW-MNOVXSKESA-N 2 0 223.364 1.001 20 0 BDADRP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@H]2[NH2+]C[C@H]1C=CCC1 ZINC000925729977 634554547 /nfs/dbraw/zinc/55/45/47/634554547.db2.gz BWGQTZQMOCGNBU-HPCHECBXSA-N 2 0 236.359 1.295 20 0 BDADRP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@@H]2[NH2+]C[C@@H]1C=CCC1 ZINC000925729980 634554686 /nfs/dbraw/zinc/55/46/86/634554686.db2.gz BWGQTZQMOCGNBU-RGDJUOJXSA-N 2 0 236.359 1.295 20 0 BDADRP CC(C)n1ccc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)n1 ZINC000125576180 634563585 /nfs/dbraw/zinc/56/35/85/634563585.db2.gz VJPDYHWIRRYPLX-GFCCVEGCSA-N 2 0 236.363 1.635 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+]CCC(C)(C)[NH3+])C1 ZINC000925738266 634596905 /nfs/dbraw/zinc/59/69/05/634596905.db2.gz PPXAXOJDQKHKEO-MNOVXSKESA-N 2 0 214.353 1.661 20 0 BDADRP COC[C@H]([NH2+]CCC(C)(C)[NH3+])C1CCOCC1 ZINC000925739484 634598961 /nfs/dbraw/zinc/59/89/61/634598961.db2.gz XIUHANYWGAQZGM-LBPRGKRZSA-N 2 0 244.379 1.145 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000925822983 635406816 /nfs/dbraw/zinc/40/68/16/635406816.db2.gz NEPSFKBURDZWQX-SPFNVWMYSA-N 2 0 212.337 1.269 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)[C@H]1CCC[NH2+]1 ZINC000925829328 635458873 /nfs/dbraw/zinc/45/88/73/635458873.db2.gz CDEGCGKJGCRCRC-XHJNMGKDSA-N 2 0 236.359 1.308 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000925833690 635479157 /nfs/dbraw/zinc/47/91/57/635479157.db2.gz WYWPSIGGONVFPZ-FPYNETTCSA-N 2 0 222.332 1.047 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCCCCCO)C[C@@H]21 ZINC000230048643 635479420 /nfs/dbraw/zinc/47/94/20/635479420.db2.gz NAGTYEZEGSWHHS-HZSPNIEDSA-N 2 0 240.391 1.598 20 0 BDADRP Cc1cc(CC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)nn1C ZINC000925834316 635482214 /nfs/dbraw/zinc/48/22/14/635482214.db2.gz NAENLXGYLPCCTO-OLZOCXBDSA-N 2 0 248.374 1.131 20 0 BDADRP Cc1cc(CC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)nn1C ZINC000925834317 635482988 /nfs/dbraw/zinc/48/29/88/635482988.db2.gz NAENLXGYLPCCTO-QWHCGFSZSA-N 2 0 248.374 1.131 20 0 BDADRP C[C@@H](NC[C@]12CCC[C@H]1[NH2+]CC2)[C@@H]1CCC[NH2+]1 ZINC000925839659 635500985 /nfs/dbraw/zinc/50/09/85/635500985.db2.gz IKFGIDHBEODRQL-XJFOESAGSA-N 2 0 237.391 1.249 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000925858765 635551596 /nfs/dbraw/zinc/55/15/96/635551596.db2.gz OVRMGWXOAQAVKH-SDDRHHMPSA-N 2 0 214.353 1.255 20 0 BDADRP COC1(C[NH2+]CC2CC[NH+](C)CC2)CCC1 ZINC000234710695 635559311 /nfs/dbraw/zinc/55/93/11/635559311.db2.gz KYSXIEAWQAIISB-UHFFFAOYSA-N 2 0 226.364 1.487 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000925881674 635610100 /nfs/dbraw/zinc/61/01/00/635610100.db2.gz DKSPDDUKLKBKKF-DGAVXFQQSA-N 3 0 237.391 1.330 20 0 BDADRP COCC1CCC([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000925880878 635610322 /nfs/dbraw/zinc/61/03/22/635610322.db2.gz WDHRDLZBKALKCC-DKNRTOFZSA-N 2 0 240.391 1.909 20 0 BDADRP C[NH+]1CCC(C[NH2+]C2COC(C)(C)OC2)CC1 ZINC000234311489 631235709 /nfs/dbraw/zinc/23/57/09/631235709.db2.gz ZVUZVYPCNVWZRE-UHFFFAOYSA-N 2 0 242.363 1.069 20 0 BDADRP C[C@@H]1CN(C[C@@H]([NH3+])CC(F)F)C[C@H]1C ZINC000308447601 631292306 /nfs/dbraw/zinc/29/23/06/631292306.db2.gz ADDLBCOBUVYLRJ-HLTSFMKQSA-N 2 0 206.280 1.557 20 0 BDADRP C[C@H]1COC[C@@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000926309794 631584471 /nfs/dbraw/zinc/58/44/71/631584471.db2.gz RVZDXWJXXXWEGT-FZMZJTMJSA-N 2 0 238.375 1.485 20 0 BDADRP CCC[C@H](C)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000308816874 631667773 /nfs/dbraw/zinc/66/77/73/631667773.db2.gz IRKJJTNVNYWGOF-RWMBFGLXSA-N 2 0 210.365 1.964 20 0 BDADRP CC[C@H](C[NH2+]CC1CC[NH+](C)CC1)OC ZINC000309016746 631801634 /nfs/dbraw/zinc/80/16/34/631801634.db2.gz ZVMAKXAKJHHANN-GFCCVEGCSA-N 2 0 214.353 1.343 20 0 BDADRP CC[C@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000309056633 631833452 /nfs/dbraw/zinc/83/34/52/631833452.db2.gz RTBGNVBDZOTMCT-STQMWFEESA-N 2 0 226.364 1.175 20 0 BDADRP C[C@H](CCO)[NH2+]C[C@@H](C)N1CCCCC1 ZINC000308855755 631958120 /nfs/dbraw/zinc/95/81/20/631958120.db2.gz PUDPZBRIQGLLDW-VXGBXAGGSA-N 2 0 214.353 1.221 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000091394773 631958937 /nfs/dbraw/zinc/95/89/37/631958937.db2.gz NQBFPSHBGYLLKE-DGCLKSJQSA-N 2 0 241.379 1.057 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH2+]C(C)(C)CSC ZINC000934667237 632014948 /nfs/dbraw/zinc/01/49/48/632014948.db2.gz AELDAHGRUNEPPN-JTQLQIEISA-N 2 0 234.409 1.030 20 0 BDADRP CNC(=[NH2+])NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000052020235 632042975 /nfs/dbraw/zinc/04/29/75/632042975.db2.gz SJKLXDKELHPPHL-ZYHUDNBSSA-N 2 0 226.368 1.241 20 0 BDADRP CC[NH+]1CCC(CNC(=[NH2+])NC(C)C)CC1 ZINC000052044411 632052297 /nfs/dbraw/zinc/05/22/97/632052297.db2.gz SUKNQRVSHJCAHQ-UHFFFAOYSA-N 2 0 226.368 1.241 20 0 BDADRP CC(C)CNC(=[NH2+])NC[C@H](C)[NH+]1CCCCC1 ZINC000052042802 632053153 /nfs/dbraw/zinc/05/31/53/632053153.db2.gz PXELOKWCGSCOJS-LBPRGKRZSA-N 2 0 240.395 1.631 20 0 BDADRP CC(C)CNC(=[NH2+])NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000052043291 632053213 /nfs/dbraw/zinc/05/32/13/632053213.db2.gz RWXOFYMCBVZREJ-LBPRGKRZSA-N 2 0 240.395 1.487 20 0 BDADRP C[NH+](C)C(C)(C)CNC(=[NH2+])NC1CCCC1 ZINC000052048755 632056202 /nfs/dbraw/zinc/05/62/02/632056202.db2.gz BSKLTZOIFDAPSG-UHFFFAOYSA-N 2 0 226.368 1.383 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH2+]C[C@H]2CCC=CO2)C1 ZINC000250600429 635699208 /nfs/dbraw/zinc/69/92/08/635699208.db2.gz JWASPWOYHYZZEO-QWHCGFSZSA-N 2 0 224.348 1.611 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@H]2CCCOC2)CC[C@H]1[NH3+] ZINC000251523896 635704786 /nfs/dbraw/zinc/70/47/86/635704786.db2.gz ABSJXLIEXNCAMA-JHJVBQTASA-N 2 0 226.364 1.472 20 0 BDADRP OCc1c[nH+]ccc1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000126502396 632120940 /nfs/dbraw/zinc/12/09/40/632120940.db2.gz HBZFUYVFKMJYFJ-ZDUSSCGKSA-N 2 0 247.342 1.248 20 0 BDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C(C)C)CC1 ZINC000052422268 632404548 /nfs/dbraw/zinc/40/45/48/632404548.db2.gz BSNZAENITMHOQP-ZDUSSCGKSA-N 2 0 227.396 1.258 20 0 BDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C(C)C)CC1 ZINC000052422271 632404661 /nfs/dbraw/zinc/40/46/61/632404661.db2.gz BSNZAENITMHOQP-CYBMUJFWSA-N 2 0 227.396 1.258 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])[C@@H]1CCOC1 ZINC000253069683 632564477 /nfs/dbraw/zinc/56/44/77/632564477.db2.gz LVBNIXRGCOLEEF-WUHRBBMRSA-N 2 0 226.364 1.519 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@H](CO)C2CC2)CC1 ZINC000309657563 632622657 /nfs/dbraw/zinc/62/26/57/632622657.db2.gz ZYWJLMKQOXZFDN-CYBMUJFWSA-N 2 0 226.364 1.220 20 0 BDADRP Cc1cc(N)nc(NC[C@H]2CCC[N@@H+](C)C2)[nH+]1 ZINC000892421701 632678040 /nfs/dbraw/zinc/67/80/40/632678040.db2.gz NUHSDQAGORYIJV-SNVBAGLBSA-N 2 0 235.335 1.121 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@H]1O)c1cccc(C[NH+](C)C)c1 ZINC000926615177 632693395 /nfs/dbraw/zinc/69/33/95/632693395.db2.gz MAQRPWGWRURHEO-NILFDRSVSA-N 2 0 248.370 1.922 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CC[C@H]1O)c1cccc(C[NH+](C)C)c1 ZINC000926615174 632693732 /nfs/dbraw/zinc/69/37/32/632693732.db2.gz MAQRPWGWRURHEO-KCPJHIHWSA-N 2 0 248.370 1.922 20 0 BDADRP C[C@H]1COCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000310064667 632697594 /nfs/dbraw/zinc/69/75/94/632697594.db2.gz OZNOFEVCEPWIHF-WYTNZGFTSA-N 2 0 238.375 1.626 20 0 BDADRP C[C@H]1CC[C@@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000310423510 632738744 /nfs/dbraw/zinc/73/87/44/632738744.db2.gz ZOAIAOIDMNZQOJ-STQMWFEESA-N 2 0 239.407 1.401 20 0 BDADRP C[C@H](CNC1=[NH+]C[C@H](C)N1)C[NH+]1CCCCC1 ZINC000310404142 632738950 /nfs/dbraw/zinc/73/89/50/632738950.db2.gz KBJHFQSQMQFTGU-NEPJUHHUSA-N 2 0 238.379 1.046 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)CC1(C)C ZINC000310568867 632760935 /nfs/dbraw/zinc/76/09/35/632760935.db2.gz YPMIOJNIOIIISP-OLZOCXBDSA-N 2 0 242.407 1.808 20 0 BDADRP CNC(NC[C@@H](C1CCCCC1)[NH+](C)C)=[NH+]C ZINC000066245364 632860860 /nfs/dbraw/zinc/86/08/60/632860860.db2.gz YPUFPWYONRXQQC-LBPRGKRZSA-N 2 0 240.395 1.292 20 0 BDADRP C[NH+](C)[C@H](CNC(=[NH2+])Nc1ccccc1)C1CC1 ZINC000066245684 632861575 /nfs/dbraw/zinc/86/15/75/632861575.db2.gz JSBUTSBLPXTWIH-CYBMUJFWSA-N 2 0 246.358 1.963 20 0 BDADRP CC[C@@H](C)[NH+]1CCN(c2cc[nH+]cc2CO)CC1 ZINC000126490935 635839599 /nfs/dbraw/zinc/83/95/99/635839599.db2.gz JKMJPQJTYIXBKC-GFCCVEGCSA-N 2 0 249.358 1.494 20 0 BDADRP CC[N@@H+]1CCN(c2cc[nH+]cc2CO)C[C@@H]1C ZINC000126507403 635845449 /nfs/dbraw/zinc/84/54/49/635845449.db2.gz YYAHTAHZYQMOEH-NSHDSACASA-N 2 0 235.331 1.104 20 0 BDADRP CC[N@H+](CC[C@@H]1CCC[NH2+]C1)C[C@H]1CCCO1 ZINC000249841920 633012530 /nfs/dbraw/zinc/01/25/30/633012530.db2.gz TXJKBNNMAWNWEF-UONOGXRCSA-N 2 0 240.391 1.877 20 0 BDADRP CC[NH+]1CCC(N(C)CC[NH2+]C(C)(C)C)CC1 ZINC000044415416 635917180 /nfs/dbraw/zinc/91/71/80/635917180.db2.gz PFQIYFMTPHUFKJ-UHFFFAOYSA-N 2 0 241.423 1.791 20 0 BDADRP Cc1cc(N)nc(N2CC[N@@H+](C)C(C)(C)CC2)n1 ZINC000894989247 636013022 /nfs/dbraw/zinc/01/30/22/636013022.db2.gz YEOFBLPEUSRJEE-UHFFFAOYSA-N 2 0 249.362 1.288 20 0 BDADRP C[N@H+](CC1(F)CC1)C1CCC([NH3+])CC1 ZINC000307385828 635987195 /nfs/dbraw/zinc/98/71/95/635987195.db2.gz KVRBRNQEZQTKNR-UHFFFAOYSA-N 2 0 200.301 1.690 20 0 BDADRP C[NH2+]C[C@H]1CCCN1C(=O)CCCCCC[NH3+] ZINC000237216462 636056466 /nfs/dbraw/zinc/05/64/66/636056466.db2.gz GHAOWTIFZUKTLZ-GFCCVEGCSA-N 2 0 241.379 1.106 20 0 BDADRP C1C[C@H]([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CS1 ZINC000328443711 633765805 /nfs/dbraw/zinc/76/58/05/633765805.db2.gz NIFRJWBKBQVEDH-KUYXLPFXSA-N 2 0 224.373 1.078 20 0 BDADRP C(CC1CC1)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328456802 633766725 /nfs/dbraw/zinc/76/67/25/633766725.db2.gz RRHQFOAVOUSYEJ-OBPIAQAESA-N 2 0 206.333 1.373 20 0 BDADRP CC1(C)CC[C@@H]1[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328512295 633775529 /nfs/dbraw/zinc/77/55/29/633775529.db2.gz CAQNQAXUZWHVPB-RJRAAQABSA-N 2 0 220.360 1.761 20 0 BDADRP CSC(C)(C)C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328558067 633776757 /nfs/dbraw/zinc/77/67/57/633776757.db2.gz CEMSTVCVNVFWKX-NGDQXYMTSA-N 2 0 240.416 1.714 20 0 BDADRP COCCCCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328572546 633778539 /nfs/dbraw/zinc/77/85/39/633778539.db2.gz URKGFPNCNVBVGA-QSLWVIQJSA-N 2 0 238.375 1.389 20 0 BDADRP CCC[NH+]1CCC(N[C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925512010 633853010 /nfs/dbraw/zinc/85/30/10/633853010.db2.gz YFPIKCBTSSFUIP-CYBMUJFWSA-N 2 0 239.407 1.591 20 0 BDADRP CCC[NH+]1CCC(N[C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925512011 633853466 /nfs/dbraw/zinc/85/34/66/633853466.db2.gz YFPIKCBTSSFUIP-ZDUSSCGKSA-N 2 0 239.407 1.591 20 0 BDADRP COC[C@H](C)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000053172161 633876542 /nfs/dbraw/zinc/87/65/42/633876542.db2.gz DNBYOIAVILFMKG-STQMWFEESA-N 2 0 228.380 1.875 20 0 BDADRP CC[C@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000309982835 634025269 /nfs/dbraw/zinc/02/52/69/634025269.db2.gz ADCSSJBCUMGZCA-UONOGXRCSA-N 2 0 240.391 1.565 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000925559633 634038736 /nfs/dbraw/zinc/03/87/36/634038736.db2.gz ZCSVBFOJBGRUAU-OLZOCXBDSA-N 2 0 237.391 1.201 20 0 BDADRP C[C@](O)(C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)C1CC1 ZINC000925608690 634145088 /nfs/dbraw/zinc/14/50/88/634145088.db2.gz HPIFGUVZUMINFY-DYEKYZERSA-N 2 0 240.391 1.643 20 0 BDADRP CC(C)[C@](C)(O)C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925611107 634150683 /nfs/dbraw/zinc/15/06/83/634150683.db2.gz KGFAEQUROXGYGP-SGMGOOAPSA-N 2 0 242.407 1.889 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](CO)CC2)C12CCC2 ZINC000925613425 634154548 /nfs/dbraw/zinc/15/45/48/634154548.db2.gz CWWSXYMXCWZYNG-ZDEQEGDKSA-N 2 0 238.375 1.397 20 0 BDADRP C[C@@H]1CC[C@@H](C[N@@H+]2CCC3(C2)CC[NH2+]CC3)O1 ZINC000310515372 634155769 /nfs/dbraw/zinc/15/57/69/634155769.db2.gz MHFGBSBXLNULJG-OLZOCXBDSA-N 2 0 238.375 1.629 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c[nH]nc3C2)C12CCC2 ZINC000925616604 634162864 /nfs/dbraw/zinc/16/28/64/634162864.db2.gz SFNANMGOXGSCJA-RAIGVLPGSA-N 2 0 246.358 1.127 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H](CCO)C2CC2)C1 ZINC000925618010 634169165 /nfs/dbraw/zinc/16/91/65/634169165.db2.gz FFPDVYYPFHCWNC-UPJWGTAASA-N 2 0 240.391 1.643 20 0 BDADRP CC(C)(CCO)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925620891 634179749 /nfs/dbraw/zinc/17/97/49/634179749.db2.gz BWQDJCLNPSXMET-GFCCVEGCSA-N 2 0 240.391 1.659 20 0 BDADRP C[C@@H]1[C@@H]([NH+](C)C)CCN1CC[C@H]1CCC[N@@H+]1C ZINC000931037450 634189225 /nfs/dbraw/zinc/18/92/25/634189225.db2.gz DIAWRZZVOHFLLD-MCIONIFRSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H]1[C@H]([NH+](C)C)CCN1CC[C@H]1CCC[N@@H+]1C ZINC000931037452 634189794 /nfs/dbraw/zinc/18/97/94/634189794.db2.gz DIAWRZZVOHFLLD-MGPQQGTHSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@H]1OCC[C@H]1[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925676278 634263634 /nfs/dbraw/zinc/26/36/34/634263634.db2.gz ZMQBPGZKHSTARZ-DBIOUOCHSA-N 2 0 210.321 1.023 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCCSC1 ZINC000925675636 634263883 /nfs/dbraw/zinc/26/38/83/634263883.db2.gz XPTQMNHWWFQTPH-MNOVXSKESA-N 2 0 228.405 1.860 20 0 BDADRP C[C@@H](CCCO)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925679052 634274141 /nfs/dbraw/zinc/27/41/41/634274141.db2.gz HIHVZLBMPCXSCH-WDEREUQCSA-N 2 0 214.353 1.125 20 0 BDADRP CN1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000123879174 634274305 /nfs/dbraw/zinc/27/43/05/634274305.db2.gz MONZWHAMAWAKRV-UHFFFAOYSA-N 2 0 245.370 1.080 20 0 BDADRP COCC[C@@H](C)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925684392 634294660 /nfs/dbraw/zinc/29/46/60/634294660.db2.gz AMZSQCBFUDMJQY-VXGBXAGGSA-N 2 0 226.364 1.533 20 0 BDADRP CCO[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925686471 634299163 /nfs/dbraw/zinc/29/91/63/634299163.db2.gz UVYZJFLMLCSZRH-NDBYEHHHSA-N 2 0 238.375 1.804 20 0 BDADRP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925686468 634299291 /nfs/dbraw/zinc/29/92/91/634299291.db2.gz UVYZJFLMLCSZRH-FDYHWXHSSA-N 2 0 238.375 1.804 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CC2CC[NH2+]CC2)C1 ZINC000925689166 634306350 /nfs/dbraw/zinc/30/63/50/634306350.db2.gz HDRRUVAPZNUYFX-STQMWFEESA-N 3 0 239.407 1.482 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1NCc1ccc(CC[NH3+])cc1 ZINC000925690959 634316407 /nfs/dbraw/zinc/31/64/07/634316407.db2.gz IFLBDWPFRNFPPU-AWEZNQCLSA-N 2 0 247.386 1.418 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000925692330 634321997 /nfs/dbraw/zinc/32/19/97/634321997.db2.gz JOXXSYMSPJLTIS-DJQKSGLPSA-N 2 0 236.359 1.140 20 0 BDADRP CC1(C)C[C@@H]([NH2+]C[C@@H](O)C2CCC2)C[C@@H]([NH3+])C1 ZINC000925692234 634322508 /nfs/dbraw/zinc/32/25/08/634322508.db2.gz NQBJWZNTTDDUQO-FRRDWIJNSA-N 2 0 240.391 1.643 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H](O)C2CCC2)C1 ZINC000925692236 634323080 /nfs/dbraw/zinc/32/30/80/634323080.db2.gz NQBJWZNTTDDUQO-JHJVBQTASA-N 2 0 240.391 1.643 20 0 BDADRP CC1(C)C[C@@H](N[C@H]2CCC[NH2+]C2)C[C@@H]([NH3+])C1 ZINC000925694378 634338465 /nfs/dbraw/zinc/33/84/65/634338465.db2.gz TXYFULPJSWCELC-WOPDTQHZSA-N 2 0 225.380 1.234 20 0 BDADRP CC(C)C[C@H](C[NH3+])N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925695260 634345213 /nfs/dbraw/zinc/34/52/13/634345213.db2.gz VDJMCPLKZBGMRY-FRRDWIJNSA-N 2 0 241.423 1.855 20 0 BDADRP CC[NH2+]CCN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925695811 634351932 /nfs/dbraw/zinc/35/19/32/634351932.db2.gz XYCZPHIUTLGSQN-GHMZBOCLSA-N 2 0 213.369 1.092 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925697713 634359453 /nfs/dbraw/zinc/35/94/53/634359453.db2.gz HORPGSFWEWCIJV-YNEHKIRRSA-N 2 0 241.423 2.000 20 0 BDADRP C[C@@H]([NH3+])[C@@H](N[C@@H]1CC[NH2+][C@H](C)C1)c1ccccc1 ZINC000925697961 634362223 /nfs/dbraw/zinc/36/22/23/634362223.db2.gz BPXPXMMBBPLSKN-QHSBEEBCSA-N 2 0 247.386 1.805 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925697994 634362875 /nfs/dbraw/zinc/36/28/75/634362875.db2.gz BSGBBRGRXHBLMI-WOPDTQHZSA-N 3 0 225.380 1.363 20 0 BDADRP C[NH2+][C@H](C)CN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925698870 634363703 /nfs/dbraw/zinc/36/37/03/634363703.db2.gz HQZHCDCNFVGEAJ-GMTAPVOTSA-N 2 0 213.369 1.090 20 0 BDADRP C[NH2+][C@H](C)CN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925698874 634364621 /nfs/dbraw/zinc/36/46/21/634364621.db2.gz HQZHCDCNFVGEAJ-MXWKQRLJSA-N 2 0 213.369 1.090 20 0 BDADRP CCC([NH3+])(CC)CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925699350 634365893 /nfs/dbraw/zinc/36/58/93/634365893.db2.gz OHMQWRKFXBCLGO-NWBUJAPZSA-N 2 0 237.391 1.090 20 0 BDADRP C[C@H]([NH3+])c1ccc(CN[C@@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000925699482 634366992 /nfs/dbraw/zinc/36/69/92/634366992.db2.gz PCHRRLTVCPBGKR-YWPYICTPSA-N 2 0 247.386 1.936 20 0 BDADRP CCC([NH3+])(CC)CN[C@H]1CC[NH2+]C12CCC2 ZINC000925699099 634367118 /nfs/dbraw/zinc/36/71/18/634367118.db2.gz MTLARXPZCCAGPG-NSHDSACASA-N 2 0 225.380 1.378 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1NCc1ccc2c(c1)C[NH2+]C2 ZINC000925700037 634367747 /nfs/dbraw/zinc/36/77/47/634367747.db2.gz MXHQXYSIPSWHGM-NHYWBVRUSA-N 2 0 245.370 1.520 20 0 BDADRP C[C@@H]([NH3+])[C@H](NC[C@H](C)[NH3+])c1ccccc1 ZINC000925699682 634367891 /nfs/dbraw/zinc/36/78/91/634367891.db2.gz LNZDDEFUDMTFLG-UMNHJUIQSA-N 2 0 207.321 1.012 20 0 BDADRP C[C@H]([NH3+])[C@H](NCC1=CC[NH2+]CC1)c1ccccc1 ZINC000925700104 634368670 /nfs/dbraw/zinc/36/86/70/634368670.db2.gz RKVDCXYMUSOXJW-WFASDCNBSA-N 2 0 245.370 1.584 20 0 BDADRP C1CCC2(C1)[NH2+]CC[C@@H]2N[C@H]1CCC[NH2+]CC1 ZINC000925700718 634371203 /nfs/dbraw/zinc/37/12/03/634371203.db2.gz RSWCFEICLFGPOX-STQMWFEESA-N 2 0 237.391 1.393 20 0 BDADRP [NH3+][C@@H]1C[C@@H](N[C@H]2CCC[C@@H]([NH3+])C2)C12CCC2 ZINC000925700698 634371528 /nfs/dbraw/zinc/37/15/28/634371528.db2.gz QZJRVJZNOKLZLN-WRWGMCAJSA-N 2 0 223.364 1.116 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925700843 634372700 /nfs/dbraw/zinc/37/27/00/634372700.db2.gz WVJBCOJBZHMKCF-OCCSQVGLSA-N 3 0 235.375 1.651 20 0 BDADRP C[C@H](C[NH3+])CN[C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925701138 634374280 /nfs/dbraw/zinc/37/42/80/634374280.db2.gz ZUVVEIIMSUYBLW-MDZLAQPJSA-N 2 0 221.348 1.259 20 0 BDADRP C[C@@H](C[NH3+])N[C@@H](CCC[NH3+])c1ccccc1 ZINC000925701345 634374873 /nfs/dbraw/zinc/37/48/73/634374873.db2.gz XWZPCINYHYZRNV-AAEUAGOBSA-N 2 0 221.348 1.403 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000925802722 635351651 /nfs/dbraw/zinc/35/16/51/635351651.db2.gz IDZXOOOSRWZRGS-SYQHCUMBSA-N 2 0 240.391 1.779 20 0 BDADRP CC[C@H]([NH2+]CCN1CCC([NH3+])CC1)C1CC1 ZINC000925815993 635384583 /nfs/dbraw/zinc/38/45/83/635384583.db2.gz VNZJEKVSLAZFLP-ZDUSSCGKSA-N 2 0 225.380 1.188 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)C12CCC2 ZINC000925830631 635466861 /nfs/dbraw/zinc/46/68/61/635466861.db2.gz JTLJIVAVSHTYLE-ZUWCUPBKSA-N 2 0 248.370 1.437 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000925856506 635547152 /nfs/dbraw/zinc/54/71/52/635547152.db2.gz JPUIMLILGKTPPC-HBNTYKKESA-N 2 0 200.326 1.007 20 0 BDADRP COC[C@H](C[NH2+][C@@H](C)C1C[NH2+]C1)C(C)C ZINC000925874522 635594856 /nfs/dbraw/zinc/59/48/56/635594856.db2.gz SJFVOJUHIBLXLC-JQWIXIFHSA-N 2 0 214.353 1.103 20 0 BDADRP CCN(CC)C[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000054243838 636245038 /nfs/dbraw/zinc/24/50/38/636245038.db2.gz IEWPMPVMNYQKGQ-CYBMUJFWSA-N 2 0 241.423 1.648 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)C(C)(C)CO ZINC000925217386 636398635 /nfs/dbraw/zinc/39/86/35/636398635.db2.gz OLEMOZLQIJLYFX-YNEHKIRRSA-N 2 0 242.407 1.856 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)C(C)(C)CO ZINC000925217384 636398809 /nfs/dbraw/zinc/39/88/09/636398809.db2.gz OLEMOZLQIJLYFX-RWMBFGLXSA-N 2 0 242.407 1.856 20 0 BDADRP CSC[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000127377971 636476075 /nfs/dbraw/zinc/47/60/75/636476075.db2.gz JAYDXGNKKATPHC-SNVBAGLBSA-N 2 0 216.394 1.669 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000871788327 636538945 /nfs/dbraw/zinc/53/89/45/636538945.db2.gz MLKCXQBWZYUYFF-XHNCKOQMSA-N 2 0 236.319 1.335 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC000221300619 636725892 /nfs/dbraw/zinc/72/58/92/636725892.db2.gz OGJOUGXMSHNTGO-TZMCWYRMSA-N 2 0 234.343 1.261 20 0 BDADRP OCCC1CC([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000898011664 636851900 /nfs/dbraw/zinc/85/19/00/636851900.db2.gz SHFWZWMXDAFCPG-YIOUJQMASA-N 2 0 238.375 1.364 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]C2CC(CCO)C2)CC1 ZINC000898011960 636854071 /nfs/dbraw/zinc/85/40/71/636854071.db2.gz WPOLPGSVGGPVLX-UHFFFAOYSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@H](O)CC1)C1CC[NH+](C)CC1 ZINC000252730177 636884733 /nfs/dbraw/zinc/88/47/33/636884733.db2.gz KEDXLEMFDVBZBW-UBHSHLNASA-N 2 0 240.391 1.610 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@H]1C[NH3+])c1cccnc1 ZINC000088169838 636897657 /nfs/dbraw/zinc/89/76/57/636897657.db2.gz YQIUCTPMCLRTPT-GMXVVIOVSA-N 2 0 219.332 1.860 20 0 BDADRP C[N@@H+]1CC[C@@H]2CN(CC[C@H]3CC[NH2+]C3)CC[C@H]21 ZINC000866704478 636933606 /nfs/dbraw/zinc/93/36/06/636933606.db2.gz VQLDGESQWHWNFG-MGPQQGTHSA-N 2 0 237.391 1.012 20 0 BDADRP C[C@@]12COC[C@]1(C)C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C2 ZINC000903463418 637363860 /nfs/dbraw/zinc/36/38/60/637363860.db2.gz ANECYTRXMQWSOW-RQJABVFESA-N 2 0 238.375 1.472 20 0 BDADRP C[C@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H]1CCO ZINC000903463437 637364788 /nfs/dbraw/zinc/36/47/88/637364788.db2.gz AZGHXYCAXUSNMU-RFQIPJPRSA-N 2 0 240.391 1.597 20 0 BDADRP Cn1nccc1[C@@H]1CCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000903566360 637371000 /nfs/dbraw/zinc/37/10/00/637371000.db2.gz QURWTGFDVUEEHK-OCCSQVGLSA-N 2 0 248.374 1.557 20 0 BDADRP CC1(C)CCC[N@@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903727088 637378626 /nfs/dbraw/zinc/37/86/26/637378626.db2.gz QCSWEWKDZCRVBF-JSGCOSHPSA-N 2 0 238.375 1.629 20 0 BDADRP CC(C)C[N@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903725467 637378884 /nfs/dbraw/zinc/37/88/84/637378884.db2.gz ZXSBMSPDODAUJZ-QWHCGFSZSA-N 2 0 226.364 1.343 20 0 BDADRP CC(C)CC[N@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722912 637378921 /nfs/dbraw/zinc/37/89/21/637378921.db2.gz FGNFPPBVRZNCIK-ZIAGYGMSSA-N 2 0 240.391 1.733 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000904431003 637400674 /nfs/dbraw/zinc/40/06/74/637400674.db2.gz VPLUVCYMTOVSPP-ZIAGYGMSSA-N 2 0 239.407 1.578 20 0 BDADRP CCc1onc(C)c1C[NH2+]C1CC(C[NH3+])C1 ZINC000904433332 637400825 /nfs/dbraw/zinc/40/08/25/637400825.db2.gz LQPPWQUDILULOO-UHFFFAOYSA-N 2 0 223.320 1.372 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])C[NH2+]CCCON ZINC000904456471 637416365 /nfs/dbraw/zinc/41/63/65/637416365.db2.gz DELBDEBRILJDFF-JTQLQIEISA-N 2 0 217.357 1.010 20 0 BDADRP Oc1cncc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000904434731 637402851 /nfs/dbraw/zinc/40/28/51/637402851.db2.gz YIWYYNSNPWBEKR-FRRDWIJNSA-N 2 0 247.342 1.265 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])C[NH2+]CCCON ZINC000904456472 637419769 /nfs/dbraw/zinc/41/97/69/637419769.db2.gz DELBDEBRILJDFF-SNVBAGLBSA-N 2 0 217.357 1.010 20 0 BDADRP CC1(C)C[NH2+]C[C@@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000904460634 637420142 /nfs/dbraw/zinc/42/01/42/637420142.db2.gz BDHWLMWFYYOTJA-QWRGUYRKSA-N 2 0 212.337 1.001 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000904458094 637420582 /nfs/dbraw/zinc/42/05/82/637420582.db2.gz BDQAYLFGRGDEPE-NWANDNLSSA-N 2 0 247.386 1.574 20 0 BDADRP CC1(C)C[NH2+]C[C@H]1[NH2+]C[C@H]1CCCOC1 ZINC000904460632 637421113 /nfs/dbraw/zinc/42/11/13/637421113.db2.gz BDHWLMWFYYOTJA-GHMZBOCLSA-N 2 0 212.337 1.001 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@H]2COC[C@@H]2C2CC2)CC[NH2+]1 ZINC000904475513 637425314 /nfs/dbraw/zinc/42/53/14/637425314.db2.gz LGOOCOZTBBWTNL-OXHZDVMGSA-N 2 0 238.375 1.389 20 0 BDADRP C([NH2+][C@@H]1COC[C@@H]1C1CC1)C1CC[NH2+]CC1 ZINC000904475809 637425855 /nfs/dbraw/zinc/42/58/55/637425855.db2.gz MRMSDMKKAOFFOB-CHWSQXEVSA-N 2 0 224.348 1.001 20 0 BDADRP C[C@]12CSC[C@H]1C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904477831 637427187 /nfs/dbraw/zinc/42/71/87/637427187.db2.gz YQALWISWEHHEIS-WYUUTHIRSA-N 2 0 226.389 1.409 20 0 BDADRP C[NH+](C)Cc1ccc(-c2cnc(C[NH3+])nc2)cc1 ZINC000904756796 637459883 /nfs/dbraw/zinc/45/98/83/637459883.db2.gz CEPJIUNBVRAMGQ-UHFFFAOYSA-N 2 0 242.326 1.664 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000904916560 637521630 /nfs/dbraw/zinc/52/16/30/637521630.db2.gz ISTONIKCYAGVON-STQMWFEESA-N 2 0 243.395 1.384 20 0 BDADRP C[N@H+](Cc1cn([C@H]2CC[NH2+]C2)nn1)C(C)(C)C ZINC000905058510 637593685 /nfs/dbraw/zinc/59/36/85/637593685.db2.gz ISOARWWEWDQAGD-NSHDSACASA-N 2 0 237.351 1.043 20 0 BDADRP C[C@H]([NH2+]C[C@](C)(O)C(F)F)C1=CC[N@H+](C)CC1 ZINC000905202197 637693890 /nfs/dbraw/zinc/69/38/90/637693890.db2.gz GFVBYGGXPDCHNF-CABZTGNLSA-N 2 0 248.317 1.243 20 0 BDADRP C[C@@H](c1nc(CC2CC[NH2+]CC2)no1)[C@H](C)[NH3+] ZINC000905312676 637742100 /nfs/dbraw/zinc/74/21/00/637742100.db2.gz DCRJDBKBAZWUHF-BDAKNGLRSA-N 2 0 238.335 1.062 20 0 BDADRP CC[C@H](O)C[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000905599807 637859081 /nfs/dbraw/zinc/85/90/81/637859081.db2.gz CGQHCKHCFFUWSX-MOKVOYLWSA-N 2 0 240.391 1.754 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc(OC(F)F)c2)C1 ZINC000906508305 638179839 /nfs/dbraw/zinc/17/98/39/638179839.db2.gz MEFOGUVHAFIORN-MGCOHNPYSA-N 2 0 242.269 1.867 20 0 BDADRP CCOc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)cc1 ZINC000906508673 638181024 /nfs/dbraw/zinc/18/10/24/638181024.db2.gz UGTRBNIPGCYFPW-HAQNSBGRSA-N 2 0 220.316 1.665 20 0 BDADRP C[C@@H](C[NH2+][C@H]1C[C@H]([NH3+])C1)c1ccccc1 ZINC000906517005 638186862 /nfs/dbraw/zinc/18/68/62/638186862.db2.gz BZQALMTUINOYSR-DRZSPHRISA-N 2 0 204.317 1.869 20 0 BDADRP CCCC[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000906529679 638195117 /nfs/dbraw/zinc/19/51/17/638195117.db2.gz RWJGZCYUYMGZFK-ZDUSSCGKSA-N 2 0 228.380 1.613 20 0 BDADRP CC[C@@H](C)C[C@H]([NH3+])C(=O)Nc1cccc(C[NH3+])c1 ZINC000911649885 639706184 /nfs/dbraw/zinc/70/61/84/639706184.db2.gz WWIILZKQJXFZNR-MFKMUULPSA-N 2 0 249.358 1.847 20 0 BDADRP CC[C@H](C)C[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000911712742 639740387 /nfs/dbraw/zinc/74/03/87/639740387.db2.gz DCAWRLADWIGDDR-SRVKXCTJSA-N 2 0 241.379 1.008 20 0 BDADRP CC[C@H](CO)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000930602202 639817440 /nfs/dbraw/zinc/81/74/40/639817440.db2.gz MVYRQVIXEPDQKM-OLZOCXBDSA-N 2 0 226.364 1.175 20 0 BDADRP CC(C)[NH2+]C1(CO)CC[NH+]([C@@H](C)C2CC2)CC1 ZINC000930613295 639820794 /nfs/dbraw/zinc/82/07/94/639820794.db2.gz FWQPPKUHASANGM-LBPRGKRZSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2C[C@@H]2C[NH3+])cc1 ZINC000911845470 639854886 /nfs/dbraw/zinc/85/48/86/639854886.db2.gz LCIBGSFRNUHWGX-MKPLZMMCSA-N 2 0 233.315 1.240 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)[C@@H]1CC[NH2+][C@H](C)C1 ZINC000911857756 639861042 /nfs/dbraw/zinc/86/10/42/639861042.db2.gz LCOKYFUSDXJVIH-GHMZBOCLSA-N 2 0 241.379 1.008 20 0 BDADRP CC[N@H+]1[C@H](C)CN(CC[NH+]2CCCC2)C[C@@H]1C ZINC000930882740 639971042 /nfs/dbraw/zinc/97/10/42/639971042.db2.gz JZASGLBFYGWOJI-OKILXGFUSA-N 2 0 239.407 1.497 20 0 BDADRP CO[C@H](C)C[N@@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931310810 640146177 /nfs/dbraw/zinc/14/61/77/640146177.db2.gz HZQMRELEFHCWEG-UPJWGTAASA-N 2 0 226.364 1.295 20 0 BDADRP C[NH+]1C[C@@]2(C)CN(CCn3ccnc3)C[C@]2(C)C1 ZINC000931310360 640146589 /nfs/dbraw/zinc/14/65/89/640146589.db2.gz DQFIFHBACJSHOL-KBPBESRZSA-N 2 0 248.374 1.157 20 0 BDADRP C[NH+](C)C1(C)CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000931350067 640167495 /nfs/dbraw/zinc/16/74/95/640167495.db2.gz RKYAENKXNHWCMR-LBPRGKRZSA-N 2 0 226.364 1.439 20 0 BDADRP COCCCCC[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931437179 640201020 /nfs/dbraw/zinc/20/10/20/640201020.db2.gz APMHOEUGDONBMT-UONOGXRCSA-N 2 0 240.391 1.687 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)O1 ZINC000931435563 640202647 /nfs/dbraw/zinc/20/26/47/640202647.db2.gz FZHWFNXGFMGCER-XJFOESAGSA-N 2 0 238.375 1.437 20 0 BDADRP C[C@@H](C1CC1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931442178 640205691 /nfs/dbraw/zinc/20/56/91/640205691.db2.gz WXQMCOAFURFBBD-WCFLWFBJSA-N 2 0 208.349 1.668 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](CCCCF)C[C@@H]2C1 ZINC000931439286 640208542 /nfs/dbraw/zinc/20/85/42/640208542.db2.gz TVCRLMUDKBLJSZ-NEPJUHHUSA-N 2 0 214.328 1.620 20 0 BDADRP C[NH+](C)CC1(O)CC[NH+](C[Si](C)(C)C)CC1 ZINC000931485258 640234975 /nfs/dbraw/zinc/23/49/75/640234975.db2.gz BQXKTKOSNLIOFX-UHFFFAOYSA-N 2 0 244.455 1.252 20 0 BDADRP Nc1cc[nH+]c2c1CN(CC[NH+]1CCCC1)CC2 ZINC000931517128 640245498 /nfs/dbraw/zinc/24/54/98/640245498.db2.gz SDVNCVJMDCDPGV-UHFFFAOYSA-N 2 0 246.358 1.118 20 0 BDADRP CSCCC[NH2+]CC1CC[NH+](C)CC1 ZINC000044516102 640399167 /nfs/dbraw/zinc/39/91/67/640399167.db2.gz HLYMORSPPGSJMP-UHFFFAOYSA-N 2 0 216.394 1.671 20 0 BDADRP C[N@H+](Cc1ccccn1)C1CCC([NH3+])CC1 ZINC000055144370 640439284 /nfs/dbraw/zinc/43/92/84/640439284.db2.gz YMFAZEDTLKRIHN-UHFFFAOYSA-N 2 0 219.332 1.783 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC000224882339 640645614 /nfs/dbraw/zinc/64/56/14/640645614.db2.gz IAMRDIPSTPLJLD-VHDGCEQUSA-N 2 0 248.370 1.779 20 0 BDADRP Cc1c(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cnn1C ZINC000226299307 640746348 /nfs/dbraw/zinc/74/63/48/640746348.db2.gz KBLWNZRNRPYUCU-RYUDHWBXSA-N 2 0 222.336 1.088 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC000226329623 640748699 /nfs/dbraw/zinc/74/86/99/640748699.db2.gz NLBAUEVFCDLLLX-DZGCQCFKSA-N 2 0 248.370 1.781 20 0 BDADRP COCCCCC[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933740546 640757381 /nfs/dbraw/zinc/75/73/81/640757381.db2.gz KLGYBZXOFUJXGY-UONOGXRCSA-N 2 0 240.391 1.687 20 0 BDADRP C[N@@H+]1C[C@@H]2C[NH+](C[C@H]3CCCOC3)C[C@]2(C)C1 ZINC000933739098 640761437 /nfs/dbraw/zinc/76/14/37/640761437.db2.gz BXANWFQGGXCURT-MCIONIFRSA-N 2 0 238.375 1.297 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCCCCCO ZINC000227257732 640822160 /nfs/dbraw/zinc/82/21/60/640822160.db2.gz VQFBFKWTHTVWJW-VXGBXAGGSA-N 2 0 214.353 1.351 20 0 BDADRP CCOC[C@H](C)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000087646994 640955540 /nfs/dbraw/zinc/95/55/40/640955540.db2.gz AWCQCFXGSALNAL-QWRGUYRKSA-N 2 0 200.326 1.001 20 0 BDADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000229938012 640996564 /nfs/dbraw/zinc/99/65/64/640996564.db2.gz VFNQAVYEZPNQMP-UONOGXRCSA-N 3 0 239.407 1.435 20 0 BDADRP C[C@@H](CC[S@@](C)=O)[NH2+]CC1CC[NH+](C)CC1 ZINC000230088978 641025012 /nfs/dbraw/zinc/02/50/12/641025012.db2.gz IEBZPLDBASLGLS-MEDUHNTESA-N 2 0 246.420 1.075 20 0 BDADRP CO[C@@H]1CC[C@H]1[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000934120074 641083830 /nfs/dbraw/zinc/08/38/30/641083830.db2.gz ZEHXLYGLRRCPLT-JHJVBQTASA-N 2 0 226.364 1.580 20 0 BDADRP CC[NH+]1CCN(C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000062861800 641101662 /nfs/dbraw/zinc/10/16/62/641101662.db2.gz GOESTEHXEUOMGP-CYBMUJFWSA-N 2 0 225.380 1.014 20 0 BDADRP CCCCC1([NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000934210044 641102909 /nfs/dbraw/zinc/10/29/09/641102909.db2.gz XKNWQRLPCSVKPE-CYBMUJFWSA-N 2 0 240.391 1.756 20 0 BDADRP C[N@H+](C[C@@H]1CCCO1)C[C@@]1(C)CC[NH2+]C1 ZINC000062911663 641107858 /nfs/dbraw/zinc/10/78/58/641107858.db2.gz PCHJDPMOVTUYHV-RYUDHWBXSA-N 2 0 212.337 1.097 20 0 BDADRP C(C[NH2+]C1CC1)CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000062967733 641111567 /nfs/dbraw/zinc/11/15/67/641111567.db2.gz WTFJRNXHSZFEBP-AWEZNQCLSA-N 2 0 237.391 1.299 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H]2CCC[C@@H]21 ZINC000934337513 641129668 /nfs/dbraw/zinc/12/96/68/641129668.db2.gz JLMVAPSKXCBWIW-MJBXVCDLSA-N 2 0 240.391 1.562 20 0 BDADRP C[NH+](C)C[C@@H]1CCCN1C(=O)CCCCC[NH3+] ZINC000061645036 641185546 /nfs/dbraw/zinc/18/55/46/641185546.db2.gz GHMSUKYFSQMXMF-LBPRGKRZSA-N 2 0 241.379 1.058 20 0 BDADRP C[NH+](C)C[C@H]1CCCN1C(=O)CCCCC[NH3+] ZINC000061645037 641186474 /nfs/dbraw/zinc/18/64/74/641186474.db2.gz GHMSUKYFSQMXMF-GFCCVEGCSA-N 2 0 241.379 1.058 20 0 BDADRP C[NH+]1CCC(C[NH2+]CCc2nccs2)CC1 ZINC000063133938 641205796 /nfs/dbraw/zinc/20/57/96/641205796.db2.gz KQCGJMFRHVKEDU-UHFFFAOYSA-N 2 0 239.388 1.617 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)O1 ZINC000232007632 641228275 /nfs/dbraw/zinc/22/82/75/641228275.db2.gz RVXLTDWZUZCOTI-QNWHQSFQSA-N 2 0 226.364 1.471 20 0 BDADRP COC/C(C)=C\C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000929698910 641404231 /nfs/dbraw/zinc/40/42/31/641404231.db2.gz BXLMPCPKKIIWLX-SVSAJMPUSA-N 2 0 240.391 1.853 20 0 BDADRP COc1ccccc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000089147084 641465763 /nfs/dbraw/zinc/46/57/63/641465763.db2.gz WZQVDOMJXSLSIR-WCQYABFASA-N 2 0 234.343 1.912 20 0 BDADRP CC(C)C[NH+]1CCC([NH2+][C@@H](C)CCO)CC1 ZINC000151911905 641479383 /nfs/dbraw/zinc/47/93/83/641479383.db2.gz TUOSUCSOLQESEG-LBPRGKRZSA-N 2 0 228.380 1.467 20 0 BDADRP C[N@@H+]1CCC[C@@H](NC(=O)CCCCCC[NH3+])C1 ZINC000040673712 641534542 /nfs/dbraw/zinc/53/45/42/641534542.db2.gz QREDAZWDRUOILM-GFCCVEGCSA-N 2 0 241.379 1.106 20 0 BDADRP CCc1ccc(C[NH2+]C2CC([NH3+])C2)s1 ZINC000225141334 641587109 /nfs/dbraw/zinc/58/71/09/641587109.db2.gz RPSPGBXUMGNQJY-UHFFFAOYSA-N 2 0 210.346 1.890 20 0 BDADRP CC[NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000044293940 641594574 /nfs/dbraw/zinc/59/45/74/641594574.db2.gz SBGYZXLEPITOBH-CYBMUJFWSA-N 2 0 249.358 1.015 20 0 BDADRP C[C@H]([NH2+][C@@H](CCO)C1CC1)C1CC[NH+](C)CC1 ZINC000090080774 641701274 /nfs/dbraw/zinc/70/12/74/641701274.db2.gz VEBMICRDRKNBFF-FZMZJTMJSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@H]1CN(C(=O)CCCCCC[NH3+])C[C@H](C)[NH2+]1 ZINC000153218193 641731867 /nfs/dbraw/zinc/73/18/67/641731867.db2.gz YKYPMVUXUJNVNT-RYUDHWBXSA-N 2 0 241.379 1.104 20 0 BDADRP Cc1noc(C)c1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000075151760 641747026 /nfs/dbraw/zinc/74/70/26/641747026.db2.gz STWWMUKAHRHUDG-LLVKDONJSA-N 2 0 223.320 1.462 20 0 BDADRP CO[C@H]1CCC[C@H]1[NH2+]CCC[NH+](C)C ZINC000125734183 641970539 /nfs/dbraw/zinc/97/05/39/641970539.db2.gz MEBUYZDEDAOCKI-MNOVXSKESA-N 2 0 200.326 1.095 20 0 BDADRP COCC[N@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000123922059 642413611 /nfs/dbraw/zinc/41/36/11/642413611.db2.gz VRVQLXDYUBKJSM-UHFFFAOYSA-N 2 0 234.343 1.411 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@]2(C)CCC[NH2+]C2)CCCO1 ZINC000305915237 642710964 /nfs/dbraw/zinc/71/09/64/642710964.db2.gz FUSYZYKRNSWOFM-KGLIPLIRSA-N 2 0 240.391 1.877 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000353500709 642857955 /nfs/dbraw/zinc/85/79/55/642857955.db2.gz XLNAVGLSKZJYCN-GFCCVEGCSA-N 2 0 236.363 1.719 20 0 BDADRP Cc1nc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)oc1C ZINC000070170710 642985635 /nfs/dbraw/zinc/98/56/35/642985635.db2.gz PKEFCDITTBISIW-GFCCVEGCSA-N 2 0 237.347 1.852 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCC2(C)OCCO2)CC[N@@H+]1C ZINC000183894582 643179966 /nfs/dbraw/zinc/17/99/66/643179966.db2.gz NJQPPFKETHMTLK-NWDGAFQWSA-N 2 0 242.363 1.212 20 0 BDADRP C[N@@H+]1CCN(C[C@]2(C)CC[NH2+]C2)CC1(C)C ZINC000082485453 643322611 /nfs/dbraw/zinc/32/26/11/643322611.db2.gz HHWITQUOWGMGAY-CYBMUJFWSA-N 2 0 225.380 1.012 20 0 BDADRP C[C@@H]([NH2+][C@H](CCO)C1CC1)C1CC[NH+](C)CC1 ZINC000090080777 643323556 /nfs/dbraw/zinc/32/35/56/643323556.db2.gz VEBMICRDRKNBFF-BXUZGUMPSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(C)(C)CC1 ZINC000082560874 643343866 /nfs/dbraw/zinc/34/38/66/643343866.db2.gz MFIFIWDEWMTDRP-NEPJUHHUSA-N 2 0 210.365 1.964 20 0 BDADRP C(COC1CCCC1)[NH2+]C1CC[NH2+]CC1 ZINC000082627225 643355806 /nfs/dbraw/zinc/35/58/06/643355806.db2.gz PCBPLJUDNYTUOQ-UHFFFAOYSA-N 2 0 212.337 1.287 20 0 BDADRP Cc1noc(C)c1C[NH2+]CC1CC[NH+](C)CC1 ZINC000070141771 643383561 /nfs/dbraw/zinc/38/35/61/643383561.db2.gz CSEIFMNGRZWSIO-UHFFFAOYSA-N 2 0 237.347 1.723 20 0 BDADRP CC[C@@](C)(O)C[NH2+]CC1CC[NH+](C)CC1 ZINC000083462225 643454614 /nfs/dbraw/zinc/45/46/14/643454614.db2.gz MHXBRMHQYOXJKL-GFCCVEGCSA-N 2 0 214.353 1.079 20 0 BDADRP CC(C)[NH+]1CCC(N[C@H]2CC[N@H+](C)C2)CC1 ZINC000042543891 643510811 /nfs/dbraw/zinc/51/08/11/643510811.db2.gz OXWLCVCIUZGFFF-ZDUSSCGKSA-N 2 0 225.380 1.153 20 0 BDADRP CC(C)[N@H+](CC1CC1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000082560740 643512142 /nfs/dbraw/zinc/51/21/42/643512142.db2.gz VCVBAFBCAZUHSJ-YPMHNXCESA-N 2 0 210.365 1.962 20 0 BDADRP CC1(C)C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000085014730 643523142 /nfs/dbraw/zinc/52/31/42/643523142.db2.gz XJFKEWMJBSTIJP-MNOVXSKESA-N 2 0 212.337 1.225 20 0 BDADRP [NH3+]C[C@H]1CCC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC000044531481 643544100 /nfs/dbraw/zinc/54/41/00/643544100.db2.gz LWXQQJQKJUKHST-TZMCWYRMSA-N 2 0 234.343 1.391 20 0 BDADRP CCc1ccc(C[NH+]2CCN(CC[NH3+])CC2)cc1 ZINC000049961413 643570809 /nfs/dbraw/zinc/57/08/09/643570809.db2.gz VFSPZJZVRDSBIJ-UHFFFAOYSA-N 2 0 247.386 1.325 20 0 BDADRP C[N@H+](CCC[NH3+])CCc1ccccc1F ZINC000049814795 643624910 /nfs/dbraw/zinc/62/49/10/643624910.db2.gz MDONYMALJHJVOX-UHFFFAOYSA-N 2 0 210.296 1.649 20 0 BDADRP C[N@@H+]1CCC[C@@H](CNC(=[NH2+])NC(C)(C)C)C1 ZINC000052043915 643643724 /nfs/dbraw/zinc/64/37/24/643643724.db2.gz LDENLHBKLBIHAN-JTQLQIEISA-N 2 0 226.368 1.241 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000084220967 643649678 /nfs/dbraw/zinc/64/96/78/643649678.db2.gz GOCIWWDFYQOGSE-OLZOCXBDSA-N 3 0 225.380 1.045 20 0 BDADRP C[C@@H]1C[C@@H](C)C[NH+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000084384548 643659161 /nfs/dbraw/zinc/65/91/61/643659161.db2.gz CPUNHUFRAFTJEP-UPJWGTAASA-N 2 0 210.365 1.964 20 0 BDADRP COCC1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000085016049 643678807 /nfs/dbraw/zinc/67/88/07/643678807.db2.gz NRGGAPCZAOHEMG-OLZOCXBDSA-N 2 0 226.364 1.472 20 0 BDADRP CCCC[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000198532790 643682520 /nfs/dbraw/zinc/68/25/20/643682520.db2.gz DGSAVTPBGNUZAZ-UHFFFAOYSA-N 2 0 239.407 1.498 20 0 BDADRP CC[NH+]1CCC(C[NH2+]Cc2cc[nH]c(=O)c2)CC1 ZINC000921686266 643740114 /nfs/dbraw/zinc/74/01/14/643740114.db2.gz IAXHWLDWAUPUOF-UHFFFAOYSA-N 2 0 249.358 1.609 20 0 BDADRP CCC(CC)(CO)C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000230220129 643767097 /nfs/dbraw/zinc/76/70/97/643767097.db2.gz MKMJGPIGIBHCDQ-NEPJUHHUSA-N 2 0 228.380 1.502 20 0 BDADRP CCC(CC)(CO)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000230217313 643767364 /nfs/dbraw/zinc/76/73/64/643767364.db2.gz GVERPGNMPZRZDF-CHWSQXEVSA-N 2 0 242.407 1.892 20 0 BDADRP Cc1ccc(C[NH2+]CC2=CC[N@H+](C)CC2)cn1 ZINC000360711223 644006655 /nfs/dbraw/zinc/00/66/55/644006655.db2.gz FBSHSNQOPJUPHA-UHFFFAOYSA-N 2 0 231.343 1.742 20 0 BDADRP C[C@@H](O)C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000086500944 644144224 /nfs/dbraw/zinc/14/42/24/644144224.db2.gz XOSLWBJEDOSSKX-IJLUTSLNSA-N 2 0 214.353 1.268 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](C[C@@H](O)CCc2ccccc2)C1 ZINC000923282631 644317194 /nfs/dbraw/zinc/31/71/94/644317194.db2.gz XNEKVDSUQRXCCW-CABCVRRESA-N 2 0 248.370 1.261 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)CC[C@H]1[NH3+] ZINC000923291433 644318689 /nfs/dbraw/zinc/31/86/89/644318689.db2.gz SGYSPEZMXQWBAF-VHDGCEQUSA-N 2 0 248.370 1.259 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CCCN(CCC[NH2+]C2CC2)C1 ZINC000923287228 644320132 /nfs/dbraw/zinc/32/01/32/644320132.db2.gz CKRAFBKNUVTQJI-NEPJUHHUSA-N 2 0 225.380 1.188 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000923288870 644322901 /nfs/dbraw/zinc/32/29/01/644322901.db2.gz CYMMCAVXNZSWRO-LSDHHAIUSA-N 2 0 248.370 1.131 20 0 BDADRP CCCCCC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000923288751 644323609 /nfs/dbraw/zinc/32/36/09/644323609.db2.gz CEFJUKNVQGSCEX-UONOGXRCSA-N 2 0 242.407 1.859 20 0 BDADRP CC(C)CC[C@H](O)C[N@H+](C)CCC[NH3+] ZINC000923291804 644328857 /nfs/dbraw/zinc/32/88/57/644328857.db2.gz SDMIOBGRIOOFAH-NSHDSACASA-N 2 0 202.342 1.064 20 0 BDADRP C[C@H](CN)[N@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923292442 644330044 /nfs/dbraw/zinc/33/00/44/644330044.db2.gz YDGCJTGYZFRZKC-ODWCKFRGSA-N 2 0 225.380 1.186 20 0 BDADRP CCOCCOCC[N@H+](C)C1CCC([NH3+])CC1 ZINC000923294551 644331435 /nfs/dbraw/zinc/33/14/35/644331435.db2.gz NDMINLOWNLTQCG-UHFFFAOYSA-N 2 0 244.379 1.241 20 0 BDADRP CC[NH2+]CC1CC[NH+](C[C@H](O)CSC)CC1 ZINC000923295068 644332487 /nfs/dbraw/zinc/33/24/87/644332487.db2.gz RLOJDMFACKJJDO-LBPRGKRZSA-N 2 0 246.420 1.032 20 0 BDADRP CCCC[N@H+](CC)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923298692 644338862 /nfs/dbraw/zinc/33/88/62/644338862.db2.gz DSLNGLUZLPDASN-LBPRGKRZSA-N 2 0 226.364 1.487 20 0 BDADRP CC(C)[C@H]1CCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923304225 644340154 /nfs/dbraw/zinc/34/01/54/644340154.db2.gz PMRPFURAGVPUGJ-CHWSQXEVSA-N 2 0 238.375 1.485 20 0 BDADRP CC[C@@H]1CC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923318855 644343082 /nfs/dbraw/zinc/34/30/82/644343082.db2.gz PQARCFBUTKXXRS-VXGBXAGGSA-N 2 0 224.348 1.097 20 0 BDADRP CC(C)C[C@H]1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923316316 644343298 /nfs/dbraw/zinc/34/32/98/644343298.db2.gz HKNUBKDMXABWLI-RFGFWPKPSA-N 2 0 240.391 1.595 20 0 BDADRP CCOC[C@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923315927 644343581 /nfs/dbraw/zinc/34/35/81/644343581.db2.gz OANCKCKSAICXAB-ZDUSSCGKSA-N 2 0 240.391 1.877 20 0 BDADRP CC[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CCC1 ZINC000923317889 644344016 /nfs/dbraw/zinc/34/40/16/644344016.db2.gz XJGHZZCBGBHOAT-LBPRGKRZSA-N 2 0 224.348 1.239 20 0 BDADRP C(C[NH2+]C1CC1)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000923329141 644346548 /nfs/dbraw/zinc/34/65/48/644346548.db2.gz YHDCJYXHXKBTRN-UHFFFAOYSA-N 3 0 237.391 1.204 20 0 BDADRP Cc1ccc([C@H](O)C[NH+]2CCC(C)([NH3+])CC2)cc1 ZINC000923346062 644364047 /nfs/dbraw/zinc/36/40/47/644364047.db2.gz NCOMRXOHWJCBJR-CQSZACIVSA-N 2 0 248.370 1.842 20 0 BDADRP CC[C@@H](NC(C[NH3+])C[NH3+])c1ccc(Cl)cc1 ZINC000923351338 644368343 /nfs/dbraw/zinc/36/83/43/644368343.db2.gz IWPKDJFOFJMYGQ-GFCCVEGCSA-N 2 0 241.766 1.667 20 0 BDADRP C[N@H+](C[C@@H](O)Cc1ccccc1)C1CC([NH3+])C1 ZINC000923363705 644375582 /nfs/dbraw/zinc/37/55/82/644375582.db2.gz YMPLVIKECGHKDI-RUXDESIVSA-N 2 0 234.343 1.012 20 0 BDADRP CC[C@@](C)(CC(=O)OC)[NH2+]CCC[NH2+]C1CC1 ZINC000923377682 644391917 /nfs/dbraw/zinc/39/19/17/644391917.db2.gz WINWYTPBVMBNMN-ZDUSSCGKSA-N 2 0 242.363 1.450 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000923382280 644394382 /nfs/dbraw/zinc/39/43/82/644394382.db2.gz BQBALAZRVFCELA-RRFJBIMHSA-N 2 0 248.370 1.450 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)CC1CCCC1 ZINC000923380649 644394697 /nfs/dbraw/zinc/39/46/97/644394697.db2.gz APJHNWDQPSKKSM-BFHYXJOUSA-N 2 0 240.391 1.787 20 0 BDADRP C[C@@H]1CCCN(CCC[NH2+]C2CC2)[C@@H]1CC[NH3+] ZINC000923387963 644400132 /nfs/dbraw/zinc/40/01/32/644400132.db2.gz PNWQJTQHLVIKDO-TZMCWYRMSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@@H](O)C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000923415891 644408937 /nfs/dbraw/zinc/40/89/37/644408937.db2.gz SDVPVGZCWWXWIN-PWSUYJOCSA-N 2 0 214.353 1.064 20 0 BDADRP CCc1onc(C)c1C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000923412274 644413946 /nfs/dbraw/zinc/41/39/46/644413946.db2.gz QQRNKRCQTKOHDP-ONGXEEELSA-N 2 0 237.347 1.572 20 0 BDADRP CC1(C)C[C@H](O)C[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923415167 644415688 /nfs/dbraw/zinc/41/56/88/644415688.db2.gz OVXJDQCYLJGUJQ-LBPRGKRZSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH3+])N(CCC[NH2+]C2CC2)[C@H]1C ZINC000923424887 644418484 /nfs/dbraw/zinc/41/84/84/644418484.db2.gz UNZJDRARBCPWMC-DYEKYZERSA-N 2 0 239.407 1.576 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccccn1 ZINC000084217850 644419831 /nfs/dbraw/zinc/41/98/31/644419831.db2.gz FTOULTBDPHFXEA-PWSUYJOCSA-N 2 0 205.305 1.299 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccn1 ZINC000084217855 644421270 /nfs/dbraw/zinc/42/12/70/644421270.db2.gz FTOULTBDPHFXEA-JQWIXIFHSA-N 2 0 205.305 1.299 20 0 BDADRP C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1CCC[NH2+]C1CC1 ZINC000923435870 644427517 /nfs/dbraw/zinc/42/75/17/644427517.db2.gz LYKXKPSYZJKKKW-SDDRHHMPSA-N 2 0 225.380 1.199 20 0 BDADRP C[C@H]1CN[C@@H](C)[C@H](C)[N@H+]1CCCCCCC[NH3+] ZINC000923436566 644428074 /nfs/dbraw/zinc/42/80/74/644428074.db2.gz PBJPOBRKRNIFID-IHRRRGAJSA-N 2 0 241.423 1.966 20 0 BDADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CC1CCC1)CC2 ZINC000923453965 644442492 /nfs/dbraw/zinc/44/24/92/644442492.db2.gz ZOIQOBPNCRRVDD-ZDUSSCGKSA-N 2 0 238.375 1.616 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ncc(C3CC3)o2)CC[C@H]1C[NH3+] ZINC000923495885 644461091 /nfs/dbraw/zinc/46/10/91/644461091.db2.gz DVCZSFMOBIZZGM-PWSUYJOCSA-N 2 0 249.358 1.969 20 0 BDADRP COCCCCC[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923495705 644463193 /nfs/dbraw/zinc/46/31/93/644463193.db2.gz FCWSKFVIZOZFCW-STQMWFEESA-N 2 0 228.380 1.720 20 0 BDADRP Cc1nnsc1C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923488383 644464592 /nfs/dbraw/zinc/46/45/92/644464592.db2.gz DYOABZJFPNGBPJ-PSASIEDQSA-N 2 0 240.376 1.263 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1)C1CCC1 ZINC000923488933 644466167 /nfs/dbraw/zinc/46/61/67/644466167.db2.gz IFISRAFHWNFFLO-KWCYVHTRSA-N 2 0 240.391 1.718 20 0 BDADRP C[C@H]1C[N@H+](C[C@@H](O)c2ccccc2)CC[C@@H]1C[NH3+] ZINC000923490074 644466342 /nfs/dbraw/zinc/46/63/42/644466342.db2.gz AQFHNNUCTBZRNV-NWANDNLSSA-N 2 0 248.370 1.637 20 0 BDADRP Cc1nocc1C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923492928 644467807 /nfs/dbraw/zinc/46/78/07/644467807.db2.gz ZMMCLKNNUKLUJP-MWLCHTKSSA-N 2 0 223.320 1.400 20 0 BDADRP Cc1ncc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)s1 ZINC000923491522 644468510 /nfs/dbraw/zinc/46/85/10/644468510.db2.gz IJNTWSCYKIBMPV-GXSJLCMTSA-N 2 0 239.388 1.868 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cc3n(n2)CCC3)CC[C@H]1C[NH3+] ZINC000923494909 644469985 /nfs/dbraw/zinc/46/99/85/644469985.db2.gz QLSWUASYYNRDSC-NEPJUHHUSA-N 2 0 248.374 1.246 20 0 BDADRP COCC[C@H](C)[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923496905 644471263 /nfs/dbraw/zinc/47/12/63/644471263.db2.gz KEYGXZMTUHTESP-SDDRHHMPSA-N 2 0 214.353 1.328 20 0 BDADRP CCOC[C@@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000086729520 644471684 /nfs/dbraw/zinc/47/16/84/644471684.db2.gz GFRKGTMRANEDDY-KPPDAEKUSA-N 2 0 200.326 1.271 20 0 BDADRP C[C@H]1C[N@H+](CCCCCCC[NH3+])CC[C@@H]1C[NH3+] ZINC000923497414 644472653 /nfs/dbraw/zinc/47/26/53/644472653.db2.gz DYXPKGODUVSPJD-UONOGXRCSA-N 3 0 241.423 1.812 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccon2)CC[C@H]1C[NH3+] ZINC000923500779 644473086 /nfs/dbraw/zinc/47/30/86/644473086.db2.gz PBPZDPRCDLLGEX-ZJUUUORDSA-N 2 0 209.293 1.091 20 0 BDADRP Cc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)on1 ZINC000923499552 644473237 /nfs/dbraw/zinc/47/32/37/644473237.db2.gz SNCJDJOIQJKOHV-KOLCDFICSA-N 2 0 223.320 1.400 20 0 BDADRP COc1cccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923516528 644481419 /nfs/dbraw/zinc/48/14/19/644481419.db2.gz IWQSTIASGXHAHU-UONOGXRCSA-N 2 0 246.354 1.737 20 0 BDADRP C(C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@H]1CCCO1 ZINC000923522810 644487986 /nfs/dbraw/zinc/48/79/86/644487986.db2.gz ZNDMTRJHACRQJC-YNEHKIRRSA-N 2 0 224.348 1.097 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCCCC[C@H]2CO)C1 ZINC000923530109 644488242 /nfs/dbraw/zinc/48/82/42/644488242.db2.gz GERWOUJWCANHKL-XQQFMLRXSA-N 2 0 226.364 1.351 20 0 BDADRP C(CN1CC[C@]2(C1)CCCC[NH2+]2)[C@H]1CC[NH2+]C1 ZINC000923532279 644490426 /nfs/dbraw/zinc/49/04/26/644490426.db2.gz AHPBJRCXQFUAGP-KGLIPLIRSA-N 2 0 237.391 1.204 20 0 BDADRP COc1cc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])ccn1 ZINC000089150632 644536083 /nfs/dbraw/zinc/53/60/83/644536083.db2.gz CGSZUPUBRVVRKX-NEPJUHHUSA-N 2 0 235.331 1.307 20 0 BDADRP CC(C)[NH+]1CCC(N[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089147956 644536354 /nfs/dbraw/zinc/53/63/54/644536354.db2.gz SFNMPHFUIHIZRL-TZMCWYRMSA-N 2 0 239.407 1.576 20 0 BDADRP CC(C)[NH+]1CCC(N[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089147958 644536768 /nfs/dbraw/zinc/53/67/68/644536768.db2.gz SFNMPHFUIHIZRL-GXTWGEPZSA-N 2 0 239.407 1.576 20 0 BDADRP CC[C@@H](C)NC(=O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000091847877 644641943 /nfs/dbraw/zinc/64/19/43/644641943.db2.gz SNRONESXDVMQKE-VOMCLLRMSA-N 2 0 241.379 1.103 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCC=CO2)C1 ZINC000248909570 644704319 /nfs/dbraw/zinc/70/43/19/644704319.db2.gz QKKXXJHZRMAVNK-UONOGXRCSA-N 2 0 238.375 1.953 20 0 BDADRP CC[C@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000251857330 644828076 /nfs/dbraw/zinc/82/80/76/644828076.db2.gz SKOPBCDZCMFLMP-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP CO[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000252176929 644840402 /nfs/dbraw/zinc/84/04/02/644840402.db2.gz SEUZZLJLQQEQCD-ZDEQEGDKSA-N 2 0 226.364 1.626 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CCS1 ZINC000252982442 644929491 /nfs/dbraw/zinc/92/94/91/644929491.db2.gz WJFIIPBTTLAHOK-VXGBXAGGSA-N 2 0 228.405 1.813 20 0 BDADRP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)C2CC2)CC1 ZINC000819106090 645005396 /nfs/dbraw/zinc/00/53/96/645005396.db2.gz MGYBXLQZOQCDIW-CQSZACIVSA-N 2 0 240.391 1.469 20 0 BDADRP CC[NH+](CC)C[C@H]1CCN(C[C@@H]2CCC[NH2+]2)C1 ZINC000843061224 645261332 /nfs/dbraw/zinc/26/13/32/645261332.db2.gz CFMLJZIUPUXVSQ-KGLIPLIRSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)C(C)(C)CO ZINC000926561016 645265727 /nfs/dbraw/zinc/26/57/27/645265727.db2.gz WFJCDYSRTADETK-LBPRGKRZSA-N 2 0 242.407 1.857 20 0 BDADRP CC[C@@H]1COC[C@@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000926567265 645288080 /nfs/dbraw/zinc/28/80/80/645288080.db2.gz KJXXVRHTRFBINB-OCCSQVGLSA-N 2 0 245.326 1.849 20 0 BDADRP C[NH2+]CCC[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000843389287 645288666 /nfs/dbraw/zinc/28/86/66/645288666.db2.gz ZYXNWTSAZHVUSV-LBPRGKRZSA-N 2 0 219.332 1.480 20 0 BDADRP C[C@@H]1COC[C@@H]1[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000926572099 645289412 /nfs/dbraw/zinc/28/94/12/645289412.db2.gz FXQNMAJGHSUQNE-UPJWGTAASA-N 2 0 226.364 1.343 20 0 BDADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccnnc1 ZINC000926605893 645312037 /nfs/dbraw/zinc/31/20/37/645312037.db2.gz ZBZRQNYAGCOJKN-XGNXJENSSA-N 2 0 248.374 2.000 20 0 BDADRP CC[C@H]1COC[C@@H]1[NH2+]CCC[N@H+](C)CC(C)C ZINC000926645769 645331641 /nfs/dbraw/zinc/33/16/41/645331641.db2.gz RMZRVSMNGYIGKT-KBPBESRZSA-N 2 0 242.407 1.979 20 0 BDADRP FCCOCC[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000926735064 645395277 /nfs/dbraw/zinc/39/52/77/645395277.db2.gz LUJYGCQSZWIUIX-OLZOCXBDSA-N 2 0 244.354 1.579 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1C=CCC1 ZINC000926838922 645449341 /nfs/dbraw/zinc/44/93/41/645449341.db2.gz WNMSDXWAMZZEMY-HABKJSAYSA-N 2 0 220.360 1.882 20 0 BDADRP C[C@H]1CC2(C[N@@H+]1CCOC(F)F)CC[NH2+]CC2 ZINC000852753098 645488008 /nfs/dbraw/zinc/48/80/08/645488008.db2.gz XEWGXSFZWXEGEJ-JTQLQIEISA-N 2 0 248.317 1.690 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCOc2cccnc2)C12CCC2 ZINC000925487876 645496369 /nfs/dbraw/zinc/49/63/69/645496369.db2.gz HAUXGWRAOVIOAP-CHWSQXEVSA-N 2 0 247.342 1.320 20 0 BDADRP COC/C(C)=C\C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000929281812 646058528 /nfs/dbraw/zinc/05/85/28/646058528.db2.gz DLRZCSPHKYAGDR-ACAGNQJTSA-N 2 0 240.391 1.853 20 0 BDADRP FC1(F)[C@@H]2C[C@@H](C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)C[C@@H]21 ZINC000929312176 646073051 /nfs/dbraw/zinc/07/30/51/646073051.db2.gz IUMQGFIVRULTOC-UHFZAUJKSA-N 2 0 242.313 1.429 20 0 BDADRP COc1cccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1C ZINC000929311358 646074225 /nfs/dbraw/zinc/07/42/25/646074225.db2.gz CCXFSBYYXDJVST-OKILXGFUSA-N 2 0 246.354 1.655 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@H](C)C(C)(C)CO ZINC000924618379 646078721 /nfs/dbraw/zinc/07/87/21/646078721.db2.gz ZAUFOGGWBJAGIW-GFCCVEGCSA-N 2 0 230.396 1.713 20 0 BDADRP CC(C)([NH3+])C[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000723630062 711527186 /nfs/dbraw/zinc/52/71/86/711527186.db2.gz VOZWIIJHDURITF-IJLUTSLNSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@@H]1COC[C@@H](C)C1[NH2+]CCCC[NH+](C)C ZINC000924854385 646118950 /nfs/dbraw/zinc/11/89/50/646118950.db2.gz MJYAOMSJGUEKNG-VXGBXAGGSA-N 2 0 228.380 1.589 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@H]2CN3C[C@@H]2CCC3)CC1 ZINC000924964642 646144517 /nfs/dbraw/zinc/14/45/17/646144517.db2.gz RXHZAAVNGPQVOI-UONOGXRCSA-N 2 0 237.391 1.012 20 0 BDADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2COC[C@H]2C)C1 ZINC000924959677 646144732 /nfs/dbraw/zinc/14/47/32/646144732.db2.gz LEFPRQIJNGFDGM-MCIONIFRSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CN2C[C@@H]1CCC2)N(C)C1CC1 ZINC000924968473 646147876 /nfs/dbraw/zinc/14/78/76/646147876.db2.gz YVYYSTNKWBDNLF-MBNYWOFBSA-N 2 0 237.391 1.153 20 0 BDADRP CC[C@@H]1COC[C@@H]1[NH2+]C[C@@H]1CCCn2ccnc21 ZINC000925170105 646199235 /nfs/dbraw/zinc/19/92/35/646199235.db2.gz KRXZZVDQRCTMAC-AGIUHOORSA-N 2 0 249.358 1.775 20 0 BDADRP C[C@H](CCO)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000929621948 646207327 /nfs/dbraw/zinc/20/73/27/646207327.db2.gz MKVRYSABYFNMQH-LLVKDONJSA-N 2 0 214.353 1.031 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCCSC1 ZINC000925218328 646212248 /nfs/dbraw/zinc/21/22/48/646212248.db2.gz LLQWXDDQJYYEMG-FXJUQPSGSA-N 2 0 240.416 1.812 20 0 BDADRP CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000929637124 646213389 /nfs/dbraw/zinc/21/33/89/646213389.db2.gz DGITWBJGVRPMEE-XQQFMLRXSA-N 2 0 210.365 1.916 20 0 BDADRP CC[C@@H](CO)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000929689124 646247881 /nfs/dbraw/zinc/24/78/81/646247881.db2.gz BWJPJHIFSDRIBD-KBPBESRZSA-N 2 0 240.391 1.708 20 0 BDADRP CCCC[N@H+](C)CCN[C@@H]1CCC[NH2+][C@H]1C ZINC000925481213 646293847 /nfs/dbraw/zinc/29/38/47/646293847.db2.gz IEHXIZUVYYZUQG-QWHCGFSZSA-N 2 0 227.396 1.448 20 0 BDADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCOC2CC2)C1 ZINC000929780561 646298417 /nfs/dbraw/zinc/29/84/17/646298417.db2.gz OURWGNYIYHQXCJ-ZDUSSCGKSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@H](CN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1)[NH+](C)C ZINC000925490380 646298791 /nfs/dbraw/zinc/29/87/91/646298791.db2.gz BCOWEVCLYDDMBI-UTUOFQBUSA-N 2 0 227.396 1.432 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1ccccn1 ZINC000925496073 646301203 /nfs/dbraw/zinc/30/12/03/646301203.db2.gz UOOJORANQRFYCV-DOOHLRMFSA-N 2 0 245.370 1.730 20 0 BDADRP C[C@H](CN[C@H](c1ccccc1)[C@H](C)[NH3+])[NH+](C)C ZINC000925495721 646302207 /nfs/dbraw/zinc/30/22/07/646302207.db2.gz NMJDGIFVMAJDAG-DYEKYZERSA-N 2 0 235.375 1.615 20 0 BDADRP O[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925505691 646305212 /nfs/dbraw/zinc/30/52/12/646305212.db2.gz UMLIIDAXAPJOAF-UPJWGTAASA-N 2 0 238.375 1.554 20 0 BDADRP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](CC)CO)C1 ZINC000929777107 646306754 /nfs/dbraw/zinc/30/67/54/646306754.db2.gz AIENVEDEIDPKKG-CHWSQXEVSA-N 2 0 228.380 1.421 20 0 BDADRP c1cnn(CCC[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000925534513 646319027 /nfs/dbraw/zinc/31/90/27/646319027.db2.gz XCQNFRVYPNYWJE-ZDUSSCGKSA-N 2 0 248.374 1.538 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCOC2CC2)C1 ZINC000929792292 646320348 /nfs/dbraw/zinc/32/03/48/646320348.db2.gz YVIQYSUIXUXHFN-LBPRGKRZSA-N 2 0 226.364 1.439 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CC2CCOCC2)C1 ZINC000925546617 646327005 /nfs/dbraw/zinc/32/70/05/646327005.db2.gz LNZPWYUZAXMHJM-CHWSQXEVSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@H](CCCO)[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925549218 646327727 /nfs/dbraw/zinc/32/77/27/646327727.db2.gz KVXDULQZABTKLT-NEPJUHHUSA-N 2 0 226.364 1.412 20 0 BDADRP C[C@H](C[C@@H]1CCOC1)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925551607 646328618 /nfs/dbraw/zinc/32/86/18/646328618.db2.gz CGPRXPCFOUGNTJ-XQHKEYJVSA-N 2 0 238.375 1.661 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCCS1 ZINC000925551538 646328975 /nfs/dbraw/zinc/32/89/75/646328975.db2.gz HHHGNYGBYGQKAT-IJLVLRJLSA-N 2 0 240.416 1.988 20 0 BDADRP C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925551605 646329655 /nfs/dbraw/zinc/32/96/55/646329655.db2.gz CGPRXPCFOUGNTJ-MROQNXINSA-N 2 0 238.375 1.661 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000925563116 646336471 /nfs/dbraw/zinc/33/64/71/646336471.db2.gz RMZCQNBRZZBIHG-XQQFMLRXSA-N 2 0 237.391 1.343 20 0 BDADRP CCOCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925564077 646337881 /nfs/dbraw/zinc/33/78/81/646337881.db2.gz XJMODRGMZZQBLK-UONOGXRCSA-N 2 0 240.391 1.781 20 0 BDADRP CC(C)(CO)C[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000925570407 646340159 /nfs/dbraw/zinc/34/01/59/646340159.db2.gz DZXGKUJIEVAVRV-QWHCGFSZSA-N 2 0 240.391 1.611 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CO)CC2)C12CCC2 ZINC000925605036 646355714 /nfs/dbraw/zinc/35/57/14/646355714.db2.gz CWWSXYMXCWZYNG-XQHKEYJVSA-N 2 0 238.375 1.397 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccco2)C12CCC2 ZINC000925605499 646358538 /nfs/dbraw/zinc/35/85/38/646358538.db2.gz GWLFWMWXTSDFCL-YUSALJHKSA-N 2 0 236.315 1.173 20 0 BDADRP Cc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)ncn1 ZINC000925625802 646371956 /nfs/dbraw/zinc/37/19/56/646371956.db2.gz LDHCQAZBUVRLMN-NEPJUHHUSA-N 2 0 248.374 1.781 20 0 BDADRP C[N@H+]1CC=C(CN[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925634416 646378037 /nfs/dbraw/zinc/37/80/37/646378037.db2.gz IJDKGMFHAGPUHY-ZDUSSCGKSA-N 2 0 235.375 1.123 20 0 BDADRP CC1(C)C[C@@H]([NH2+]CC2(CCO)CC2)C[C@@H]([NH3+])C1 ZINC000925645322 646386835 /nfs/dbraw/zinc/38/68/35/646386835.db2.gz PNCDIMXBCNBZCH-NEPJUHHUSA-N 2 0 240.391 1.645 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925646839 646387170 /nfs/dbraw/zinc/38/71/70/646387170.db2.gz XJUFBGFNSQCPIC-QCNOEVLYSA-N 2 0 228.380 1.905 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CC2(CCO)CC2)C1 ZINC000925645324 646387923 /nfs/dbraw/zinc/38/79/23/646387923.db2.gz PNCDIMXBCNBZCH-NWDGAFQWSA-N 2 0 240.391 1.645 20 0 BDADRP CC1(C)C[C@@H]([NH2+]C[C@@H]2CC[C@H](O)C2)C[C@@H]([NH3+])C1 ZINC000925648734 646389175 /nfs/dbraw/zinc/38/91/75/646389175.db2.gz FCMICJMLFQUCEC-NDBYEHHHSA-N 2 0 240.391 1.643 20 0 BDADRP OC1CC(CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925652275 646389608 /nfs/dbraw/zinc/38/96/08/646389608.db2.gz PGRGYJMEGNSUNQ-WXRRBKDZSA-N 2 0 238.375 1.412 20 0 BDADRP CC1(C)C[C@@H]([NH2+]C[C@@H]2CC[C@@H](O)C2)C[C@@H]([NH3+])C1 ZINC000925648733 646389673 /nfs/dbraw/zinc/38/96/73/646389673.db2.gz FCMICJMLFQUCEC-FVCCEPFGSA-N 2 0 240.391 1.643 20 0 BDADRP C[C@@H](O)CCC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925657846 646391727 /nfs/dbraw/zinc/39/17/27/646391727.db2.gz QAVDYTYXKFYPFR-XQHKEYJVSA-N 2 0 240.391 1.514 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCCOC(F)F ZINC000925665875 646398489 /nfs/dbraw/zinc/39/84/89/646398489.db2.gz NBOPOPBMMNYQPO-QMMMGPOBSA-N 2 0 222.279 1.346 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@H]1CCC[NH2+][C@H]1C ZINC000925663339 646398671 /nfs/dbraw/zinc/39/86/71/646398671.db2.gz QMZZMTCLVKOQJP-AGIUHOORSA-N 2 0 227.396 1.447 20 0 BDADRP C[C@@H]1COCC[C@H]1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925670545 646400611 /nfs/dbraw/zinc/40/06/11/646400611.db2.gz LXNGXPSMGPSITR-FRRDWIJNSA-N 2 0 238.375 1.533 20 0 BDADRP C[C@H](O)[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925671703 646400820 /nfs/dbraw/zinc/40/08/20/646400820.db2.gz DTKHJFGMAARYMN-XWLWVQCSSA-N 2 0 214.353 1.251 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CC2=CCCOC2)C1 ZINC000925672412 646402364 /nfs/dbraw/zinc/40/23/64/646402364.db2.gz INTOYXBSFSAWHB-QWHCGFSZSA-N 2 0 238.375 1.829 20 0 BDADRP CCC[N@@H+]1CCC[C@H]1CN[C@H]1CC[NH2+]C1(C)C ZINC000925673207 646402391 /nfs/dbraw/zinc/40/23/91/646402391.db2.gz ZOMPYCIIXLHBDI-STQMWFEESA-N 2 0 239.407 1.591 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[C@H]2O)C12CCC2 ZINC000925687509 646414181 /nfs/dbraw/zinc/41/41/81/646414181.db2.gz KPXRNNGFPZOIHF-QNWHQSFQSA-N 2 0 238.375 1.397 20 0 BDADRP OC[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000925688798 646414297 /nfs/dbraw/zinc/41/42/97/646414297.db2.gz FTEVQHAOZOWVQU-UPJWGTAASA-N 2 0 238.375 1.412 20 0 BDADRP OC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925688796 646414576 /nfs/dbraw/zinc/41/45/76/646414576.db2.gz FTEVQHAOZOWVQU-FRRDWIJNSA-N 2 0 238.375 1.412 20 0 BDADRP C1CCC2(C1)[NH2+]CC[C@@H]2N[C@@H]1CCC[NH2+]C1 ZINC000925687835 646415179 /nfs/dbraw/zinc/41/51/79/646415179.db2.gz BMIXJMKZSBBCBQ-NEPJUHHUSA-N 2 0 223.364 1.003 20 0 BDADRP Cc1nccn1CCC[N@@H+](C)CCOC1CC1 ZINC000930060077 646415592 /nfs/dbraw/zinc/41/55/92/646415592.db2.gz JLKMBJBIHABEIG-UHFFFAOYSA-N 2 0 237.347 1.692 20 0 BDADRP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)[C@H](O)C(C)C ZINC000925691531 646416210 /nfs/dbraw/zinc/41/62/10/646416210.db2.gz OGTKCHRUSRYMLS-UMSGYPCISA-N 2 0 240.391 1.641 20 0 BDADRP CNC(=O)C[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925690408 646416838 /nfs/dbraw/zinc/41/68/38/646416838.db2.gz VEQIMPZIWSHKGB-AXFHLTTASA-N 2 0 241.379 1.007 20 0 BDADRP C[C@H]([NH3+])[C@H](NC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000925690187 646416974 /nfs/dbraw/zinc/41/69/74/646416974.db2.gz GDIFWBFXCZVNSZ-GUTXKFCHSA-N 2 0 247.386 1.664 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]C[C@@H]2CCC[C@H]2O)C1 ZINC000925693025 646418202 /nfs/dbraw/zinc/41/82/02/646418202.db2.gz QMLFFXRCOYRRSM-ZDEQEGDKSA-N 2 0 240.391 1.643 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[NH2+]C2(C)C)[C@@H](C)O1 ZINC000925694842 646420539 /nfs/dbraw/zinc/42/05/39/646420539.db2.gz GFHYQVKRPYLURQ-DDHJBXDOSA-N 2 0 226.364 1.530 20 0 BDADRP C[C@@H]([NH3+])[C@@H](N[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000925700195 646423006 /nfs/dbraw/zinc/42/30/06/646423006.db2.gz NJUMBLDPBFECGZ-MRVWCRGKSA-N 2 0 233.359 1.417 20 0 BDADRP C[C@@H]1NCCC[C@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000925699899 646423287 /nfs/dbraw/zinc/42/32/87/646423287.db2.gz LVLNDXBKFYQXQT-XDQVBPFNSA-N 2 0 239.407 1.482 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@H]1N[C@H]1CC[NH2+]C12CCCC2 ZINC000925698707 646423521 /nfs/dbraw/zinc/42/35/21/646423521.db2.gz GWNMQWCEQQDODH-UPJWGTAASA-N 2 0 237.391 1.249 20 0 BDADRP C[C@H]([NH3+])CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925700219 646423965 /nfs/dbraw/zinc/42/39/65/646423965.db2.gz NTVMNTZARTVWTG-WCFLWFBJSA-N 2 0 225.380 1.092 20 0 BDADRP C[NH2+][C@H](C)CN[C@H](CCC[NH3+])c1ccccc1 ZINC000925701315 646425362 /nfs/dbraw/zinc/42/53/62/646425362.db2.gz XKBIQYXKOFVQFH-TZMCWYRMSA-N 2 0 235.375 1.664 20 0 BDADRP C[NH2+]Cc1ccccc1CN[C@@H]1CC[NH2+]C1(C)C ZINC000925701658 646425408 /nfs/dbraw/zinc/42/54/08/646425408.db2.gz CWWGRXPENFLDJE-CQSZACIVSA-N 2 0 247.386 1.636 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000925703646 646425589 /nfs/dbraw/zinc/42/55/89/646425589.db2.gz DOQPHWUJTROYQR-NWDGAFQWSA-N 3 0 225.380 1.249 20 0 BDADRP [NH3+]C[C@H](N[C@H]1C[C@@H]([NH3+])C12CCC2)C1CCCC1 ZINC000925702487 646427368 /nfs/dbraw/zinc/42/73/68/646427368.db2.gz AOAGLYGMWJXAAD-XQQFMLRXSA-N 2 0 237.391 1.363 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@@H](N[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000925704111 646429060 /nfs/dbraw/zinc/42/90/60/646429060.db2.gz HWZQGBKKRQSHCG-UMSGYPCISA-N 2 0 239.407 1.752 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ncccn1 ZINC000925704852 646429273 /nfs/dbraw/zinc/42/92/73/646429273.db2.gz GJIPKYFPTKADKC-UYVFGJEYSA-N 2 0 232.331 1.082 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000925705582 646431107 /nfs/dbraw/zinc/43/11/07/646431107.db2.gz KHEBKZBDGORSLL-NEPJUHHUSA-N 2 0 237.391 1.391 20 0 BDADRP CC1(C)[C@@H]([NH2+][C@@H]2CC23CC3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925709259 646433933 /nfs/dbraw/zinc/43/39/33/646433933.db2.gz UNYNSTODLWUMHH-WYUUTHIRSA-N 2 0 220.360 1.905 20 0 BDADRP C[C@@H]([NH3+])[C@H](NCC1([NH3+])CCCC1)c1ccccc1 ZINC000925710249 646435180 /nfs/dbraw/zinc/43/51/80/646435180.db2.gz JBTRBSHOGICKBB-OCCSQVGLSA-N 2 0 247.386 1.936 20 0 BDADRP COCC1(CC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925711218 646435786 /nfs/dbraw/zinc/43/57/86/646435786.db2.gz XLXNGESXZHPYRV-NEPJUHHUSA-N 2 0 238.375 1.663 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC[NH2+]C1CC1 ZINC000925711388 646436458 /nfs/dbraw/zinc/43/64/58/646436458.db2.gz YRPKVFPEYPBDLS-KCXRBIIJSA-N 3 0 237.391 1.234 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H](NCC2([NH3+])CCCC2)C1 ZINC000925713931 646438412 /nfs/dbraw/zinc/43/84/12/646438412.db2.gz YQSJHXPLJDBINH-VXGBXAGGSA-N 2 0 239.407 1.754 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925713346 646438514 /nfs/dbraw/zinc/43/85/14/646438514.db2.gz XQELUTAIZOIEOM-GHMZBOCLSA-N 3 0 213.369 1.234 20 0 BDADRP C1CCC([C@H]2C[NH2+]CC[C@@H]2N[C@@H]2CC[NH2+]C2)C1 ZINC000925716592 646440859 /nfs/dbraw/zinc/44/08/59/646440859.db2.gz AUJRBTCSJJCNBV-MCIONIFRSA-N 2 0 237.391 1.106 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000925724713 646449196 /nfs/dbraw/zinc/44/91/96/646449196.db2.gz COMRQRBOMALAMO-RWMBFGLXSA-N 2 0 239.407 1.495 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000925724869 646450659 /nfs/dbraw/zinc/45/06/59/646450659.db2.gz FFFIBKHPXLISPG-SRVKXCTJSA-N 3 0 225.380 1.234 20 0 BDADRP COCC1CC([NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000925728301 646452148 /nfs/dbraw/zinc/45/21/48/646452148.db2.gz KTCLNPORCIFGGZ-MCIGGMRASA-N 2 0 224.348 1.286 20 0 BDADRP O[C@H]1C[C@H](C[NH2+][C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925728276 646452265 /nfs/dbraw/zinc/45/22/65/646452265.db2.gz DEGSXYAYEVPXSR-SRVKXCTJSA-N 2 0 224.348 1.022 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1C=CCC1 ZINC000925732114 646456024 /nfs/dbraw/zinc/45/60/24/646456024.db2.gz OJSWWNNOPFBQQM-FRRDWIJNSA-N 2 0 208.349 1.930 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CC1(CC2CC2)CC1 ZINC000925733320 646456337 /nfs/dbraw/zinc/45/63/37/646456337.db2.gz GTLBISMHCRVELT-ZDUSSCGKSA-N 2 0 240.391 1.910 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925738211 646460295 /nfs/dbraw/zinc/46/02/95/646460295.db2.gz WVESZDSLOLZRCD-CYDGBPFRSA-N 2 0 240.391 1.907 20 0 BDADRP CC(C)([NH3+])CCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000925736265 646460954 /nfs/dbraw/zinc/46/09/54/646460954.db2.gz DURLTHBXBZEXIM-WDEREUQCSA-N 3 0 213.369 1.363 20 0 BDADRP CC(C)([NH3+])CCN[C@H]1CC[NH2+]C12CCCC2 ZINC000925736257 646460984 /nfs/dbraw/zinc/46/09/84/646460984.db2.gz DTNXGOXABCRLOM-NSHDSACASA-N 2 0 225.380 1.378 20 0 BDADRP CCC1([NH3+])CCN([C@@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925758232 646464140 /nfs/dbraw/zinc/46/41/40/646464140.db2.gz AVDZUVQGSLOPKH-VXGBXAGGSA-N 2 0 237.391 1.460 20 0 BDADRP Nc1cc[nH+]c(CN[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000925767411 646468085 /nfs/dbraw/zinc/46/80/85/646468085.db2.gz OLROJDOBNHVUOA-GXFFZTMASA-N 2 0 234.347 1.271 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000925775019 646473230 /nfs/dbraw/zinc/47/32/30/646473230.db2.gz YWLLULGNHZUMMF-QJPTWQEYSA-N 2 0 224.348 1.415 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[NH2+]CCC2(F)F)[C@@H](C)O1 ZINC000925775245 646475921 /nfs/dbraw/zinc/47/59/21/646475921.db2.gz DVOARNWFXYSUAQ-DBIOUOCHSA-N 2 0 248.317 1.387 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CCC12CCOCC2 ZINC000925783206 646478809 /nfs/dbraw/zinc/47/88/09/646478809.db2.gz JAFMDDTXKCHWHT-IJLUTSLNSA-N 2 0 224.348 1.143 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000925785407 646481459 /nfs/dbraw/zinc/48/14/59/646481459.db2.gz NIARJEYSVDRYIJ-MROQNXINSA-N 2 0 226.364 1.389 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)[C@H]1C[C@H]1C ZINC000925787835 646483146 /nfs/dbraw/zinc/48/31/46/646483146.db2.gz VNOWWYZSATVBMM-BNDIWNMDSA-N 2 0 210.365 1.866 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000925787814 646483208 /nfs/dbraw/zinc/48/32/08/646483208.db2.gz VCNRFMDNKDBWLA-BVIHXZOGSA-N 2 0 245.370 1.576 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)[C@H]1C[C@@H]1C ZINC000925787838 646483390 /nfs/dbraw/zinc/48/33/90/646483390.db2.gz VNOWWYZSATVBMM-PPCPHDFISA-N 2 0 210.365 1.866 20 0 BDADRP CC[C@@H]1CC[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925818228 646487166 /nfs/dbraw/zinc/48/71/66/646487166.db2.gz ZTGJNZYSABJQKD-YPMHNXCESA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cnccn1 ZINC000925801609 646487524 /nfs/dbraw/zinc/48/75/24/646487524.db2.gz VGWLNTUSAUWFND-IJLUTSLNSA-N 2 0 234.347 1.373 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000925804027 646488092 /nfs/dbraw/zinc/48/80/92/646488092.db2.gz YATULNPKXVLUDT-REWJHTLYSA-N 3 0 239.407 1.210 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCOC[C@H]1C ZINC000925803788 646488619 /nfs/dbraw/zinc/48/86/19/646488619.db2.gz VLJUUZNFNORZBW-LPWJVIDDSA-N 2 0 226.364 1.247 20 0 BDADRP C[C@H]1[NH2+]CCC[C@@H]1NCc1cc(N(C)C)cc[nH+]1 ZINC000925815561 646491768 /nfs/dbraw/zinc/49/17/68/646491768.db2.gz YHLIBARRAYGHHM-RISCZKNCSA-N 2 0 248.374 1.378 20 0 BDADRP C[C@@H](NCc1cc(N(C)C)cc[nH+]1)[C@@H]1CCC[NH2+]1 ZINC000925815731 646492713 /nfs/dbraw/zinc/49/27/13/646492713.db2.gz YVRFMZFFXCVALU-RISCZKNCSA-N 2 0 248.374 1.378 20 0 BDADRP [NH3+]C1CCN(CC[NH2+][C@@H]2CC[C@@H]2C2CC2)CC1 ZINC000925817604 646493352 /nfs/dbraw/zinc/49/33/52/646493352.db2.gz STXCXZPSDBBFNS-ZIAGYGMSSA-N 2 0 237.391 1.188 20 0 BDADRP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000925824476 646497230 /nfs/dbraw/zinc/49/72/30/646497230.db2.gz UDSVGOCJUPCZEO-JOLBHGKHSA-N 2 0 208.349 1.748 20 0 BDADRP C[C@@H]1COC[C@@H]1[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925828104 646499019 /nfs/dbraw/zinc/49/90/19/646499019.db2.gz ULRMVAVWHQXOEX-KXNHARMFSA-N 2 0 226.364 1.517 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000925832426 646501599 /nfs/dbraw/zinc/50/15/99/646501599.db2.gz PPPYDECMORAQQY-RGOKHQFPSA-N 2 0 236.281 1.902 20 0 BDADRP C1=C[C@@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)[C@H]2CO[C@@H]1C2 ZINC000925833705 646502336 /nfs/dbraw/zinc/50/23/36/646502336.db2.gz XECGSJJIWVDNLX-RFQIPJPRSA-N 2 0 248.370 1.452 20 0 BDADRP C[C@@H]([NH2+]C[C@]12CCC[C@H]1OCC2)[C@@H]1CCC[NH2+]1 ZINC000925833572 646502981 /nfs/dbraw/zinc/50/29/81/646502981.db2.gz RWQJFISAULYWJO-XJFOESAGSA-N 2 0 238.375 1.676 20 0 BDADRP C[C@H]1[NH2+]CCC[C@H]1NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925837166 646504478 /nfs/dbraw/zinc/50/44/78/646504478.db2.gz CDDCGFRMOXMKJC-AAVRWANBSA-N 2 0 237.391 1.249 20 0 BDADRP C(N[C@@H]1CC[NH2+]C12CCC2)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925838146 646504549 /nfs/dbraw/zinc/50/45/49/646504549.db2.gz KVDYZPOXDRLCSN-MGPQQGTHSA-N 2 0 249.402 1.393 20 0 BDADRP C[C@@H]([NH2+]CCN1CCc2ccccc21)C1C[NH2+]C1 ZINC000925838154 646505386 /nfs/dbraw/zinc/50/53/86/646505386.db2.gz VZGYGGVZVKDGRN-GFCCVEGCSA-N 2 0 245.370 1.247 20 0 BDADRP C(CC[NH2+]C1CCCC1)CCN1CC[NH2+]CC1 ZINC000925851341 646509645 /nfs/dbraw/zinc/50/96/45/646509645.db2.gz XRJJLJVVKMKHLH-UHFFFAOYSA-N 2 0 239.407 1.594 20 0 BDADRP CCC[C@H](O)CC[NH2+]C1CCC([NH3+])CC1 ZINC000925854644 646510839 /nfs/dbraw/zinc/51/08/39/646510839.db2.gz FINPRSMAWMIXMK-MCIGGMRASA-N 2 0 214.353 1.397 20 0 BDADRP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925875006 646525579 /nfs/dbraw/zinc/52/55/79/646525579.db2.gz BGOIPQBRQYKOKM-NTZNESFSSA-N 2 0 248.374 1.515 20 0 BDADRP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925875301 646525776 /nfs/dbraw/zinc/52/57/76/646525776.db2.gz FUZZQBOORONEAT-OPDFLTKYSA-N 2 0 237.391 1.186 20 0 BDADRP Cc1cc([C@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)no1 ZINC000925879342 646528916 /nfs/dbraw/zinc/52/89/16/646528916.db2.gz BQZDEXKJLMITSE-AXFHLTTASA-N 2 0 223.320 1.761 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@]12C[C@H]1CCC2 ZINC000925879631 646529578 /nfs/dbraw/zinc/52/95/78/646529578.db2.gz AZXJOFHFEAFRFI-WZRBSPASSA-N 2 0 208.349 1.907 20 0 BDADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)C(C)(C)CO ZINC000926116364 646575748 /nfs/dbraw/zinc/57/57/48/646575748.db2.gz YMEVGJQOFXMHNP-LBPRGKRZSA-N 2 0 242.407 1.715 20 0 BDADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccns1 ZINC000926255532 646605553 /nfs/dbraw/zinc/60/55/53/646605553.db2.gz RRBOHSSCVKATTM-SNVBAGLBSA-N 2 0 243.376 1.372 20 0 BDADRP C[C@H]1COC[C@@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000926276403 646609733 /nfs/dbraw/zinc/60/97/33/646609733.db2.gz XANNVZFXIAKNSW-STQMWFEESA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H](C[NH2+]C1CC2(C1)CO[C@@H](C)C2)C[NH+](C)C ZINC000926468234 646652642 /nfs/dbraw/zinc/65/26/42/646652642.db2.gz ASMABZFKGWFJJQ-FEPKRQSRSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@H]1CC[NH3+] ZINC000723887091 711543337 /nfs/dbraw/zinc/54/33/37/711543337.db2.gz QFRKLUXUJZKSIQ-JHJVBQTASA-N 2 0 226.364 1.472 20 0 BDADRP C[C@@H]1CC[C@@H](C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)O1 ZINC000723916492 711545037 /nfs/dbraw/zinc/54/50/37/711545037.db2.gz WWIDUBUTGXIHPO-LPWJVIDDSA-N 2 0 226.364 1.471 20 0 BDADRP Cc1cn(C)nc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000723962527 711548069 /nfs/dbraw/zinc/54/80/69/711548069.db2.gz FNDCHNOBXUNWEQ-GFCCVEGCSA-N 2 0 236.363 1.289 20 0 BDADRP CC(C)CC[NH+]1CCC([NH2+][C@H]2C[C@H](O)C2)CC1 ZINC000926734490 711673348 /nfs/dbraw/zinc/67/33/48/711673348.db2.gz YAQOAHYLJPVADF-HDJSIYSDSA-N 2 0 240.391 1.610 20 0 BDADRP COC[C@H](C[N@@H+]1CC[C@](C)(C[NH3+])C1)C(C)C ZINC000721912309 711917550 /nfs/dbraw/zinc/91/75/50/711917550.db2.gz LZDLMVPUNDTLHZ-QWHCGFSZSA-N 2 0 228.380 1.576 20 0 BDADRP CC[C@@H](C)[C@@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000721936175 711940783 /nfs/dbraw/zinc/94/07/83/711940783.db2.gz AABNLOCCSULNND-VXGBXAGGSA-N 2 0 227.396 1.434 20 0 BDADRP Cc1noc(C)c1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000086109934 711960868 /nfs/dbraw/zinc/96/08/68/711960868.db2.gz LKYKTRQQQOGKHJ-JQWIXIFHSA-N 2 0 223.320 1.508 20 0 BDADRP COC1CCC([NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000703803534 712088221 /nfs/dbraw/zinc/08/82/21/712088221.db2.gz TXSHPBHBVSMWQV-TYUFSLCMSA-N 2 0 238.375 1.804 20 0 BDADRP C[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000703808364 712089458 /nfs/dbraw/zinc/08/94/58/712089458.db2.gz VXGGBZVDEQGBEL-FZMOHWGLSA-N 2 0 208.349 1.905 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](C[C@H]2CC(C)(C)CO2)CC1 ZINC000708329064 712187289 /nfs/dbraw/zinc/18/72/89/712187289.db2.gz ASSNHXIPPSKXHE-DGCLKSJQSA-N 2 0 240.391 1.861 20 0 BDADRP c1cc(CN2CC[C@]3(C2)CCC[NH2+]C3)sn1 ZINC000709902480 712231830 /nfs/dbraw/zinc/23/18/30/712231830.db2.gz CSFOIKQKQSHOLR-GFCCVEGCSA-N 2 0 237.372 1.719 20 0 BDADRP C[C@@H]1C[C@@H]([N@H+](C)CCCCCC[NH3+])CCN1C ZINC000710725076 712255561 /nfs/dbraw/zinc/25/55/61/712255561.db2.gz SGBRWKDEGVPIJI-KGLIPLIRSA-N 2 0 241.423 1.920 20 0 BDADRP C[NH+]1CCC(C[NH2+]C[C@@H]2C=CCC2)CC1 ZINC000711670672 712315896 /nfs/dbraw/zinc/31/58/96/712315896.db2.gz WNPYYZJPNGQRPO-GFCCVEGCSA-N 2 0 208.349 1.884 20 0 BDADRP C[C@H]([NH3+])CN(C)CCCOC(F)(F)F ZINC000713399359 712459046 /nfs/dbraw/zinc/45/90/46/712459046.db2.gz YAKYDJFIQQFCLH-ZETCQYMHSA-N 2 0 214.231 1.192 20 0 BDADRP C[NH+](C)CCCC[NH2+]C[C@H]1COC(C)(C)O1 ZINC000715064752 712505152 /nfs/dbraw/zinc/50/51/52/712505152.db2.gz AZHUTKKLWUOIKK-NSHDSACASA-N 2 0 230.352 1.069 20 0 BDADRP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CCCNC2)CC1 ZINC000715513678 712524950 /nfs/dbraw/zinc/52/49/50/712524950.db2.gz SCPZEQVXXIGOHD-ROKHWSDSSA-N 2 0 239.407 1.591 20 0 BDADRP C[N@H+](CCCF)CC[C@H]1CCC[NH2+]C1 ZINC000716807235 712575711 /nfs/dbraw/zinc/57/57/11/712575711.db2.gz XUNIGYMMFGNNOZ-LLVKDONJSA-N 2 0 202.317 1.668 20 0 BDADRP CC[C@@H](C[C@@H](C)O)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000716854744 712578958 /nfs/dbraw/zinc/57/89/58/712578958.db2.gz UHPPNINDEMFVHI-OLZOCXBDSA-N 2 0 242.407 1.998 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)C1CC1 ZINC000717340849 712649591 /nfs/dbraw/zinc/64/95/91/712649591.db2.gz VDWQHICYTOEOAU-PSASIEDQSA-N 2 0 218.291 1.619 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]CC2(CO)CCC2)C12CCC2 ZINC000717639681 712666062 /nfs/dbraw/zinc/66/60/62/712666062.db2.gz FECMZVATDVHOBX-WDEREUQCSA-N 2 0 224.348 1.009 20 0 BDADRP CC(C)[C@](C)(C[NH3+])[NH2+]CCOC1CC1 ZINC000717731050 712668168 /nfs/dbraw/zinc/66/81/68/712668168.db2.gz YJBGIECAWTYPCN-NSHDSACASA-N 2 0 200.326 1.128 20 0 BDADRP COC[C@H](C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C)C(C)C ZINC000721915837 710689892 /nfs/dbraw/zinc/68/98/92/710689892.db2.gz VUGPUCOZTGRKBL-RWMBFGLXSA-N 2 0 228.380 1.717 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCSC2)C[C@H]1CC[NH3+] ZINC000723887715 710732936 /nfs/dbraw/zinc/73/29/36/710732936.db2.gz PXBCIGALEAAARM-GRYCIOLGSA-N 2 0 228.405 1.656 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C[C@H]1CC[NH3+] ZINC000723891082 710733310 /nfs/dbraw/zinc/73/33/10/710733310.db2.gz KQVJRGOEXIQWKW-XGFWRYKXSA-N 2 0 222.376 1.949 20 0 BDADRP CC(C)OC[C@H](C)[NH2+]CCN1CCC[C@H]1C ZINC000393808881 710759391 /nfs/dbraw/zinc/75/93/91/710759391.db2.gz QYWWEXNICRYBLZ-QWHCGFSZSA-N 2 0 228.380 1.874 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@@H]1CCCN[C@@H]1C ZINC000396712765 710907143 /nfs/dbraw/zinc/90/71/43/710907143.db2.gz RRTSVNZABPCEEH-UTUOFQBUSA-N 2 0 214.353 1.268 20 0 BDADRP C[C@@H](CNC(=[NH2+])NC1CCCCC1)C[NH+](C)C ZINC000383770001 710914603 /nfs/dbraw/zinc/91/46/03/710914603.db2.gz GLVHAKWGHOJFBV-NSHDSACASA-N 2 0 240.395 1.631 20 0 BDADRP CC(C)([NH3+])CC[NH2+]Cc1cccc2c1OCO2 ZINC000383930015 710986028 /nfs/dbraw/zinc/98/60/28/710986028.db2.gz BRZFMEOFIJAOFJ-UHFFFAOYSA-N 2 0 236.315 1.632 20 0 BDADRP CN(C[C@@H](O)CC1CCCC1)C1(C[NH3+])CCC1 ZINC000385131725 711006238 /nfs/dbraw/zinc/00/62/38/711006238.db2.gz AICFPHQRPVJNEZ-ZDUSSCGKSA-N 2 0 240.391 1.741 20 0 BDADRP COCC(C)(C)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000392962295 711155053 /nfs/dbraw/zinc/15/50/53/711155053.db2.gz POKNWAVXAAYGID-OBPIAQAESA-N 2 0 238.375 1.245 20 0 BDADRP Cc1ccccc1OCC[N@@H+](C)C1CC([NH3+])C1 ZINC000395029843 711201306 /nfs/dbraw/zinc/20/13/06/711201306.db2.gz GWRXXCPFIOFSBK-UHFFFAOYSA-N 2 0 234.343 1.795 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1NC[C@@H]1CCC[N@H+](C)C1 ZINC000396722083 711367951 /nfs/dbraw/zinc/36/79/51/711367951.db2.gz UISSNAOLXZGOLH-RWMBFGLXSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000398652212 711413705 /nfs/dbraw/zinc/41/37/05/711413705.db2.gz CABADKIQGGJEDH-QQOHENMQSA-N 2 0 238.375 1.124 20 0 BDADRP C[C@H]1COCC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000399172624 711423585 /nfs/dbraw/zinc/42/35/85/711423585.db2.gz OXWDXISEIWWLGY-OLZOCXBDSA-N 2 0 226.364 1.344 20 0 BDADRP COC[C@H](C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)C(C)C ZINC000721961590 710694630 /nfs/dbraw/zinc/69/46/30/710694630.db2.gz FJALMLZKOAYDCS-KBPBESRZSA-N 2 0 240.391 1.590 20 0 BDADRP OC1CC2(C[C@@H]2[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000724987275 710752483 /nfs/dbraw/zinc/75/24/83/710752483.db2.gz UKYZPPLGLXIMGY-WCCYQHBJSA-N 2 0 236.359 1.116 20 0 BDADRP C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000397798679 711391436 /nfs/dbraw/zinc/39/14/36/711391436.db2.gz KSEYQSHQICVFKJ-PPPRAXEDSA-N 2 0 238.400 1.324 20 0 BDADRP C[N@H+](CCC[NH2+]C1CC1)C[C@H]1CCOC1 ZINC000399572310 711431858 /nfs/dbraw/zinc/43/18/58/711431858.db2.gz JECIQBNLOIVTEJ-LLVKDONJSA-N 2 0 212.337 1.097 20 0 BDADRP C[NH2+]CC1CC[NH+](Cc2oc(C)nc2C)CC1 ZINC000723623098 711526628 /nfs/dbraw/zinc/52/66/28/711526628.db2.gz HHGXDLKAILBIKH-UHFFFAOYSA-N 2 0 237.347 1.723 20 0 BDADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000723627484 711527262 /nfs/dbraw/zinc/52/72/62/711527262.db2.gz DHUJGRSSICSTKM-PJSNJIKXSA-N 2 0 226.364 1.517 20 0 BDADRP CC(C)([NH3+])CC[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000723644065 711529457 /nfs/dbraw/zinc/52/94/57/711529457.db2.gz AKVDQHJFTLFMQJ-RWMBFGLXSA-N 2 0 240.391 1.909 20 0 BDADRP C1CC([NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)CC[NH2+]1 ZINC000723648565 711530250 /nfs/dbraw/zinc/53/02/50/711530250.db2.gz VROGWZWZKJEUOG-SGMGOOAPSA-N 2 0 238.375 1.533 20 0 BDADRP C[NH+](C)CCC[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000723661191 711532693 /nfs/dbraw/zinc/53/26/93/711532693.db2.gz DICVXPOBOLFJQU-BFHYXJOUSA-N 2 0 240.391 1.733 20 0 BDADRP Cc1conc1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723701418 711534951 /nfs/dbraw/zinc/53/49/51/711534951.db2.gz CCMUUVIAFJUORU-SNVBAGLBSA-N 2 0 209.293 1.154 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](C[C@H](O)CC2CCCC2)C1 ZINC000723713568 711535292 /nfs/dbraw/zinc/53/52/92/711535292.db2.gz STWHVPADFXCSHJ-UONOGXRCSA-N 2 0 240.391 1.598 20 0 BDADRP Cc1cnc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)o1 ZINC000723708794 711535734 /nfs/dbraw/zinc/53/57/34/711535734.db2.gz INROJQYPYPSHIG-SNVBAGLBSA-N 2 0 209.293 1.154 20 0 BDADRP Cc1ncsc1CC[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723711786 711535791 /nfs/dbraw/zinc/53/57/91/711535791.db2.gz IPJYOFKHVDUWJM-NSHDSACASA-N 2 0 239.388 1.665 20 0 BDADRP Cc1cc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)ccn1 ZINC000723895479 711544253 /nfs/dbraw/zinc/54/42/53/711544253.db2.gz XDOBISDTRQONPN-BXUZGUMPSA-N 2 0 233.359 1.807 20 0 BDADRP C[N@H+](CCc1cn[nH]c1)C1CCC([NH3+])CC1 ZINC000309287938 711672650 /nfs/dbraw/zinc/67/26/50/711672650.db2.gz ILDYYGYPMWEIAJ-UHFFFAOYSA-N 2 0 222.336 1.154 20 0 BDADRP CO[C@@H](C)C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925712098 711711742 /nfs/dbraw/zinc/71/17/42/711711742.db2.gz OSFXFJSYYKNPEP-YUTCNCBUSA-N 2 0 240.391 1.779 20 0 BDADRP CC(C)[NH+]1CCC(N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000093210639 711726716 /nfs/dbraw/zinc/72/67/16/711726716.db2.gz KVJMXZGTHHPYBR-OCCSQVGLSA-N 2 0 239.407 1.719 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[C@H](C2CC2)O1 ZINC000722315775 711734563 /nfs/dbraw/zinc/73/45/63/711734563.db2.gz IEXDYXKIZHFOET-RFQIPJPRSA-N 2 0 238.375 1.661 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)C1 ZINC000722316499 711734770 /nfs/dbraw/zinc/73/47/70/711734770.db2.gz RYIRCYTWMIZRFU-RFGFWPKPSA-N 2 0 238.375 1.804 20 0 BDADRP COC[C@@H](C)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662292523 711736817 /nfs/dbraw/zinc/73/68/17/711736817.db2.gz NJPFQRHLFHSCBD-OCCSQVGLSA-N 2 0 240.391 1.733 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 ZINC000722324421 711737683 /nfs/dbraw/zinc/73/76/83/711737683.db2.gz KNQRNLYVYMCPAS-LOWDOPEQSA-N 2 0 238.375 1.659 20 0 BDADRP C[C@@H]([NH2+]C[C@]12C[C@H]1CCC2)[C@H]1CC[NH2+]C1 ZINC000925880006 711762108 /nfs/dbraw/zinc/76/21/08/711762108.db2.gz FVRFSGAGJNOYBO-XQHKEYJVSA-N 2 0 208.349 1.764 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1C[C@H](O)CC(C)(C)C1 ZINC000879622188 711771064 /nfs/dbraw/zinc/77/10/64/711771064.db2.gz IVJRZULEFHURKF-QWHCGFSZSA-N 2 0 240.391 1.564 20 0 BDADRP Cc1ncoc1C[NH2+]CCCC[NH+](C)C ZINC000390409284 711771350 /nfs/dbraw/zinc/77/13/50/711771350.db2.gz WBDRLVMSWAEVIG-UHFFFAOYSA-N 2 0 211.309 1.414 20 0 BDADRP CC(C)N1CC[NH+](C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000232637308 711841072 /nfs/dbraw/zinc/84/10/72/711841072.db2.gz VMUKIPZQTZOJRD-KGLIPLIRSA-N 2 0 239.407 1.401 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000721918292 711919582 /nfs/dbraw/zinc/91/95/82/711919582.db2.gz DCRXZPULRQKHLJ-NNYUYHANSA-N 2 0 212.337 1.081 20 0 BDADRP COC[C@H](C[N@H+](C)CC(C)(C)[NH3+])C(C)C ZINC000721918597 711920067 /nfs/dbraw/zinc/92/00/67/711920067.db2.gz KSCJOGXCMATWQM-NSHDSACASA-N 2 0 216.369 1.574 20 0 BDADRP COC[C@H](C[N@H+](C)C1CC([NH3+])C1)C(C)C ZINC000721921393 711937209 /nfs/dbraw/zinc/93/72/09/711937209.db2.gz RNRACCWYBVBHBP-UNXYVOJBSA-N 2 0 214.353 1.327 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)C1 ZINC000721959058 711948108 /nfs/dbraw/zinc/94/81/08/711948108.db2.gz DVWSGUXTMKOSGO-HTVCTNPSSA-N 2 0 240.391 1.717 20 0 BDADRP C[C@H](CC[NH2+][C@H]1CCCSC1)[NH+](C)C ZINC000700490163 711994817 /nfs/dbraw/zinc/99/48/17/711994817.db2.gz YHTSFEPBMUQARA-MNOVXSKESA-N 2 0 216.394 1.812 20 0 BDADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCCSCC1 ZINC000657987694 711981912 /nfs/dbraw/zinc/98/19/12/711981912.db2.gz STCQRXPBCZNWRA-GFCCVEGCSA-N 2 0 246.420 1.440 20 0 BDADRP C[N@H+](C[C@H]1CCCCO1)C[C@@H]1CCCC[NH2+]C1 ZINC000700382840 711991630 /nfs/dbraw/zinc/99/16/30/711991630.db2.gz GIZSLBQXQAWAJM-ZIAGYGMSSA-N 2 0 240.391 1.877 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CC[C@@H]2CC2(F)F)C12CCC2 ZINC000701949833 712033141 /nfs/dbraw/zinc/03/31/41/712033141.db2.gz FMQSLMASFOINNS-BBBLOLIVSA-N 2 0 230.302 1.891 20 0 BDADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC000702050456 712037318 /nfs/dbraw/zinc/03/73/18/712037318.db2.gz YSPYEUHATJUBDP-ZUWCUPBKSA-N 2 0 220.360 1.574 20 0 BDADRP [NH3+]C1CC[NH+](C[C@H](O)CCc2ccccc2)CC1 ZINC000702271522 712043766 /nfs/dbraw/zinc/04/37/66/712043766.db2.gz QQKAWKYRXJXRAS-OAHLLOKOSA-N 2 0 248.370 1.403 20 0 BDADRP C[C@H](F)CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000702613122 712057473 /nfs/dbraw/zinc/05/74/73/712057473.db2.gz YMGFUPNVCBAUBK-DCHHYWPUSA-N 2 0 212.312 1.321 20 0 BDADRP CC(C)N(C)C[C@@H](C)[NH2+]C1CCC(C)(O)CC1 ZINC000703023205 712065056 /nfs/dbraw/zinc/06/50/56/712065056.db2.gz JLDAASASUGJNMD-IYXRBSQSSA-N 2 0 242.407 1.998 20 0 BDADRP COC1CC(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)C1 ZINC000703296885 712071180 /nfs/dbraw/zinc/07/11/80/712071180.db2.gz BQECTJHTKGLTDD-OTTFEQOBSA-N 2 0 226.364 1.485 20 0 BDADRP CN(C[C@@H]1CCC[N@H+](C)C1)c1cc[nH+]c(CO)c1 ZINC000705127418 712122642 /nfs/dbraw/zinc/12/26/42/712122642.db2.gz AOGMGVGHVRWISM-GFCCVEGCSA-N 2 0 249.358 1.352 20 0 BDADRP COC[C@@H]1C[N@H+](CCCCCCC[NH3+])CCO1 ZINC000705819826 712136660 /nfs/dbraw/zinc/13/66/60/712136660.db2.gz MVIQDNOMMKGFSU-ZDUSSCGKSA-N 2 0 244.379 1.243 20 0 BDADRP C[N@H+](CCCCCCC[NH3+])CCn1cccn1 ZINC000707399465 712170193 /nfs/dbraw/zinc/17/01/93/712170193.db2.gz HPRCCHUNTYUTOI-UHFFFAOYSA-N 2 0 238.379 1.724 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000707663801 712175977 /nfs/dbraw/zinc/17/59/77/712175977.db2.gz XFWDMJCMWZDGDM-CYBMUJFWSA-N 2 0 226.364 1.618 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2C[C@H]3CCC[C@H]3O2)C[C@H]1C[NH3+] ZINC000708080684 712181533 /nfs/dbraw/zinc/18/15/33/712181533.db2.gz BINNJIXDTLLJEG-XGFWRYKXSA-N 2 0 238.375 1.471 20 0 BDADRP CC1(C)CO[C@@H](C[N@@H+]2CC[C@](C)(C[NH3+])C2)C1 ZINC000708323449 712187479 /nfs/dbraw/zinc/18/74/79/712187479.db2.gz NBRMOURLRDHOKP-DGCLKSJQSA-N 2 0 226.364 1.472 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)CC[C@H]1C[NH3+] ZINC000708352843 712190018 /nfs/dbraw/zinc/19/00/18/712190018.db2.gz DKODLEKSQVYTJW-FRRDWIJNSA-N 2 0 240.391 1.718 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)C1 ZINC000709033890 712206018 /nfs/dbraw/zinc/20/60/18/712206018.db2.gz BQLNGAJZZHUPPT-KKOKHZNYSA-N 2 0 212.337 1.223 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@@H]1CCN(C3CC3)C1)[NH2+]2 ZINC000709487731 712222726 /nfs/dbraw/zinc/22/27/26/712222726.db2.gz BRFSBNGTNKGYDP-BUONHZGMSA-N 2 0 249.402 1.342 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1ccns1 ZINC000709824822 712228915 /nfs/dbraw/zinc/22/89/15/712228915.db2.gz JBPGDLPIQFNBCI-ZYHUDNBSSA-N 2 0 239.388 1.793 20 0 BDADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCO[C@@H]1CC1(F)F)C2 ZINC000709882699 712230444 /nfs/dbraw/zinc/23/04/44/712230444.db2.gz QTZYXAZUZNYJNO-XWLWVQCSSA-N 2 0 246.301 1.222 20 0 BDADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCO[C@H]1CC1(F)F)C2 ZINC000709882695 712230743 /nfs/dbraw/zinc/23/07/43/712230743.db2.gz QTZYXAZUZNYJNO-VLEAKVRGSA-N 2 0 246.301 1.222 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCc1ccns1 ZINC000710026105 712242101 /nfs/dbraw/zinc/24/21/01/712242101.db2.gz JEXFXYVRERKHCZ-ONGXEEELSA-N 2 0 225.361 1.403 20 0 BDADRP C[NH2+]CCC[N@H+](C)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000710508863 712253744 /nfs/dbraw/zinc/25/37/44/712253744.db2.gz OZWNRHAWFGUFCO-JGPRNRPPSA-N 2 0 232.318 1.819 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1COC[C@H]1C ZINC000710852596 712259711 /nfs/dbraw/zinc/25/97/11/712259711.db2.gz MCSOUBSSCNXZGD-MQYQWHSLSA-N 2 0 240.391 1.922 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@H]1CCC(C)(C)CO1 ZINC000711251116 712290494 /nfs/dbraw/zinc/29/04/94/712290494.db2.gz PRMLBXQXDRAWIM-UTUOFQBUSA-N 2 0 240.391 1.907 20 0 BDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]C[C@H]1CCC(C)(C)CO1 ZINC000711251117 712290733 /nfs/dbraw/zinc/29/07/33/712290733.db2.gz PRMLBXQXDRAWIM-WOPDTQHZSA-N 2 0 240.391 1.907 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)CN1CCC[C@@H](CF)C1 ZINC000711450113 712301609 /nfs/dbraw/zinc/30/16/09/712301609.db2.gz JHDJBKCOICVKPZ-STQMWFEESA-N 2 0 246.370 1.369 20 0 BDADRP FC[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000711452232 712302394 /nfs/dbraw/zinc/30/23/94/712302394.db2.gz GTLBKXIOAPUGRX-NSHDSACASA-N 2 0 200.301 1.277 20 0 BDADRP [NH3+]C1CC[NH+](C[C@H]2CCC3(CCC3)O2)CC1 ZINC000711471751 712303286 /nfs/dbraw/zinc/30/32/86/712303286.db2.gz VAJSHEMEUGARPX-GFCCVEGCSA-N 2 0 224.348 1.511 20 0 BDADRP C[C@@]1(C[N@@H+]2CC[C@H](CF)C2)CC[NH2+]C1 ZINC000711519705 712308658 /nfs/dbraw/zinc/30/86/58/712308658.db2.gz NAEZQEBNVKTJPY-GHMZBOCLSA-N 2 0 200.301 1.277 20 0 BDADRP C[C@@]1(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)CCC[NH2+]C1 ZINC000711589761 712310982 /nfs/dbraw/zinc/31/09/82/712310982.db2.gz IBCPTIINDFWTMK-FRRDWIJNSA-N 2 0 240.416 1.671 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCOC3CC3)C[C@@H]21 ZINC000711759915 712326539 /nfs/dbraw/zinc/32/65/39/712326539.db2.gz RDTWSYXHIUGQJA-WCFLWFBJSA-N 2 0 224.348 1.225 20 0 BDADRP CCc1onc(C)c1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923479178 712334555 /nfs/dbraw/zinc/33/45/55/712334555.db2.gz NXVUMVQHILULBT-LLVKDONJSA-N 2 0 237.347 1.716 20 0 BDADRP [NH3+]CC1CC[NH+](C[C@H]2CCC3(CCC3)O2)CC1 ZINC000712435023 712378968 /nfs/dbraw/zinc/37/89/68/712378968.db2.gz CRIAFPGOHBSGMD-CYBMUJFWSA-N 2 0 238.375 1.759 20 0 BDADRP CC(C)([NH3+])CC[NH2+]C1CCC(O)CC1 ZINC000379534796 712387797 /nfs/dbraw/zinc/38/77/97/712387797.db2.gz LDVDKZRKKJSXGV-UHFFFAOYSA-N 2 0 200.326 1.007 20 0 BDADRP C[N@H+](CCC[NH3+])CCCOC(F)(F)F ZINC000713398270 712459108 /nfs/dbraw/zinc/45/91/08/712459108.db2.gz GFWKFNKVERUMLR-UHFFFAOYSA-N 2 0 214.231 1.194 20 0 BDADRP CC1(C)CCC[C@@H](C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)O1 ZINC000714375495 712484473 /nfs/dbraw/zinc/48/44/73/712484473.db2.gz UWWMAPULBGFDEZ-XQQFMLRXSA-N 2 0 238.375 1.485 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000714622845 712488654 /nfs/dbraw/zinc/48/86/54/712488654.db2.gz BULVSWBRPDLIMS-FIQHERPVSA-N 2 0 212.337 1.128 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000714630358 712488799 /nfs/dbraw/zinc/48/87/99/712488799.db2.gz LOYASJNASNJWHI-DHGKCCLASA-N 2 0 238.375 1.389 20 0 BDADRP CCC1([NH3+])CC[NH+](C[C@@H](C)COC)CC1 ZINC000714753151 712497114 /nfs/dbraw/zinc/49/71/14/712497114.db2.gz HOEUSIRNSZAXBS-LLVKDONJSA-N 2 0 214.353 1.472 20 0 BDADRP C(C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@@H]1C[C@H]1C1CC1 ZINC000714878670 712502560 /nfs/dbraw/zinc/50/25/60/712502560.db2.gz LEFAMHQYPRXPGO-BARDWOONSA-N 2 0 234.387 1.964 20 0 BDADRP C[C@H](CC[NH2+]C[C@H]1COC(C)(C)O1)[NH+](C)C ZINC000715125768 712510828 /nfs/dbraw/zinc/51/08/28/712510828.db2.gz OLFCHQRUVHSYNE-MNOVXSKESA-N 2 0 230.352 1.068 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000715236462 712514060 /nfs/dbraw/zinc/51/40/60/712514060.db2.gz RJXSXJAOSDFAJC-MCIONIFRSA-N 2 0 242.407 2.000 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1CC13CC3)[NH2+]2 ZINC000715261512 712514728 /nfs/dbraw/zinc/51/47/28/712514728.db2.gz NSZOAQMJSOMFEC-CSYMLDBXSA-N 2 0 206.333 1.658 20 0 BDADRP C[N@H+](CCC[NH3+])C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000715493406 712523351 /nfs/dbraw/zinc/52/33/51/712523351.db2.gz BXFCQEHIFDGKGC-RYUDHWBXSA-N 2 0 212.337 1.225 20 0 BDADRP C[N@H+](C[C@@H]1CC[C@H](C2CC2)O1)C1CC[NH2+]CC1 ZINC000715513108 712524925 /nfs/dbraw/zinc/52/49/25/712524925.db2.gz YTCNVWDOIGEMTA-UONOGXRCSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@@H]1COC[C@@H]1[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000715562828 712528947 /nfs/dbraw/zinc/52/89/47/712528947.db2.gz RKBPVHXUYSWXLK-LPWJVIDDSA-N 2 0 226.364 1.484 20 0 BDADRP C[NH+]1CCC(C[NH2+]CCC2(C)OCCO2)CC1 ZINC000715920603 712542639 /nfs/dbraw/zinc/54/26/39/712542639.db2.gz XVDAQDNBVDQTCD-UHFFFAOYSA-N 2 0 242.363 1.071 20 0 BDADRP C[C@@H](Cn1ccnc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000037157659 712549554 /nfs/dbraw/zinc/54/95/54/712549554.db2.gz QUXODCYOBTUOHD-FUDCBSFHSA-N 3 0 248.374 1.486 20 0 BDADRP C[N@H+](CCC[NH3+])C[C@@H]1CCC2(CCC2)CO1 ZINC000716294989 712553763 /nfs/dbraw/zinc/55/37/63/712553763.db2.gz OUXHIGDVYHQWEV-LBPRGKRZSA-N 2 0 226.364 1.616 20 0 BDADRP C[C@@H](C[C@@H]1COCCN1)[NH2+]CCCCC1CC1 ZINC000716370462 712557108 /nfs/dbraw/zinc/55/71/08/712557108.db2.gz IOGCXZHWPVSHAF-GXTWGEPZSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCC=CO1 ZINC000380004457 712651861 /nfs/dbraw/zinc/65/18/61/712651861.db2.gz BEWNBMLCSGTCKS-NEPJUHHUSA-N 2 0 212.337 1.786 20 0 BDADRP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC000717653471 712663046 /nfs/dbraw/zinc/66/30/46/712663046.db2.gz WYYWMNGXZAASMY-WCQYABFASA-N 2 0 228.380 1.765 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)CCCC(C)(F)F ZINC000718631656 712773903 /nfs/dbraw/zinc/77/39/03/712773903.db2.gz FHKIBGXTJRQJBC-UHFFFAOYSA-N 2 0 238.322 1.590 20 0 BDADRP C[C@H](CNC1CC[NH+](C)CC1)[NH+]1CCCCC1 ZINC000038028296 712799738 /nfs/dbraw/zinc/79/97/38/712799738.db2.gz KQKBXBUEXULMMY-CYBMUJFWSA-N 2 0 239.407 1.545 20 0 BDADRP C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+](C)C ZINC000038087901 712806902 /nfs/dbraw/zinc/80/69/02/712806902.db2.gz WDYDXIYSZAJWLF-WODVXLOZSA-N 2 0 225.380 1.151 20 0 BDADRP CCC[NH+]1CCC(N[C@@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000719649012 712820505 /nfs/dbraw/zinc/82/05/05/712820505.db2.gz SDOPBEGBXYCUBE-GXTWGEPZSA-N 2 0 239.407 1.543 20 0 BDADRP CCc1cc(N[C@@H]2CC[N@H+](C)[C@H]2C)cc[nH+]1 ZINC000719772591 712823977 /nfs/dbraw/zinc/82/39/77/712823977.db2.gz BGGUYBUNYGGJHR-GXFFZTMASA-N 2 0 219.332 1.570 20 0 BDADRP CC[C@@H]1C[N@H+](CCc2ccns2)CC[C@@H]1[NH3+] ZINC000719845911 712825901 /nfs/dbraw/zinc/82/59/01/712825901.db2.gz QRERWWNAKNTMOO-PWSUYJOCSA-N 2 0 239.388 1.745 20 0 BDADRP COC(C)(C)[C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C(C)C ZINC000720184369 712828750 /nfs/dbraw/zinc/82/87/50/712828750.db2.gz KTLPDJWUZCJOTD-RYUDHWBXSA-N 2 0 246.395 1.091 20 0 BDADRP C[C@H]1CC[N@H+](C[C@H]2CCCC[NH2+]C2)CCO1 ZINC000720415092 712841226 /nfs/dbraw/zinc/84/12/26/712841226.db2.gz KODATGCFFGSPCO-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP C[C@H](C[NH3+])N(C)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000720868261 712871691 /nfs/dbraw/zinc/87/16/91/712871691.db2.gz XJNLYTULDSJLKR-NOOOWODRSA-N 2 0 212.337 1.223 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H]2C[C@H]3CCC[C@H]3O2)C1 ZINC000720868931 712871857 /nfs/dbraw/zinc/87/18/57/712871857.db2.gz HTPKYNMZRZWLME-RFQIPJPRSA-N 2 0 238.375 1.485 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000720875873 712872462 /nfs/dbraw/zinc/87/24/62/712872462.db2.gz XXVYBZYOUDATJM-BJJPWKGXSA-N 2 0 238.375 1.756 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000720875875 712872579 /nfs/dbraw/zinc/87/25/79/712872579.db2.gz XXVYBZYOUDATJM-POQQGIQPSA-N 2 0 238.375 1.756 20 0 BDADRP C[N@H+](C[C@@H]1C[C@@H]2CCC[C@@H]2O1)C1CC[NH2+]CC1 ZINC000720872630 712873425 /nfs/dbraw/zinc/87/34/25/712873425.db2.gz ORNRAGISTPNVOA-UBHSHLNASA-N 2 0 238.375 1.628 20 0 BDADRP CN1CCC[C@H]2[C@H]1CC[N@@H+]2CCCCCC[NH3+] ZINC000720890424 712874875 /nfs/dbraw/zinc/87/48/75/712874875.db2.gz BKLZIJQXQSUMHU-KGLIPLIRSA-N 2 0 239.407 1.674 20 0 BDADRP CCC[N@H+]1C[C@@H]2C[NH+](CCCCOC)C[C@@H]2C1 ZINC001209219035 957365494 /nfs/dbraw/zinc/36/54/94/957365494.db2.gz AFFIGWISBVJZST-OKILXGFUSA-N 2 0 240.391 1.687 20 0 BDADRP Cc1c[nH+]c(N2CCC[C@H]([NH+](C)C)C2)cc1N ZINC000133261113 721894914 /nfs/dbraw/zinc/89/49/14/721894914.db2.gz WPZFBWQPFUUMCR-NSHDSACASA-N 2 0 234.347 1.503 20 0 BDADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925635732 960488021 /nfs/dbraw/zinc/48/80/21/960488021.db2.gz OQWPNNVTIZMXLH-FDYHWXHSSA-N 2 0 238.375 1.661 20 0 BDADRP C[C@@]1([NH3+])CC[N@@H+]([C@@H]2CCCC3(C2)OCCO3)C1 ZINC000712818210 962983413 /nfs/dbraw/zinc/98/34/13/962983413.db2.gz RDVKWGSQOMPYNJ-VXGBXAGGSA-N 2 0 240.347 1.095 20 0 BDADRP CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001271093468 963356014 /nfs/dbraw/zinc/35/60/14/963356014.db2.gz OOIQUAFLODYPPT-VXGBXAGGSA-N 2 0 243.395 1.029 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2CC[C@](C)(O)C2)CC1 ZINC001168313671 964416596 /nfs/dbraw/zinc/41/65/96/964416596.db2.gz FZFWHANDUGQASH-BPCQOVAHSA-N 2 0 226.364 1.316 20 0 BDADRP [NH3+]C[C@@]1(O)CCC[N@H+](CCC(F)(F)F)CC1 ZINC001205209328 966844881 /nfs/dbraw/zinc/84/48/81/966844881.db2.gz IPMIQXSDRSDRNG-SECBINFHSA-N 2 0 240.269 1.115 20 0 BDADRP C[C@]1([NH3+])CCCN(C[C@@H]2CCCC[NH2+]2)CC1 ZINC001205257149 967446103 /nfs/dbraw/zinc/44/61/03/967446103.db2.gz SQUGFOAKIPEXMC-STQMWFEESA-N 2 0 225.380 1.332 20 0 BDADRP Cn1cc(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)cn1 ZINC001205545386 967692925 /nfs/dbraw/zinc/69/29/25/967692925.db2.gz FZGLDSVSCHRRRL-LBPRGKRZSA-N 2 0 240.326 1.073 20 0 BDADRP C[C@H]1CC[N@H+](CCCCCC[NH3+])CC[C@H]1C[NH3+] ZINC001205604307 967722554 /nfs/dbraw/zinc/72/25/54/967722554.db2.gz UTIOZMYZCDRXCV-KBPBESRZSA-N 3 0 241.423 1.812 20 0 BDADRP COC(C[N@@H+]1CCC[C@](C)(C[NH3+])CC1)OC ZINC001206295644 968202939 /nfs/dbraw/zinc/20/29/39/968202939.db2.gz MPSZYLKHGGIORA-LBPRGKRZSA-N 2 0 230.352 1.056 20 0 BDADRP CC[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](C(C)C)C[C@@H]1C ZINC001251819646 968342651 /nfs/dbraw/zinc/34/26/51/968342651.db2.gz XHJYJZCJRPMSTO-YNEHKIRRSA-N 2 0 228.380 1.466 20 0 BDADRP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](C)C(=O)OC ZINC001276517947 968695326 /nfs/dbraw/zinc/69/53/26/968695326.db2.gz DFRPNPKHENMKHT-WAAKLRNESA-N 2 0 240.347 1.010 20 0 BDADRP C[C@@H]1CC[C@H](CO)C[N@@H+]1CC(C)(C)C[NH+](C)C ZINC001207275708 968712800 /nfs/dbraw/zinc/71/28/00/968712800.db2.gz ODWLNVDPSUVLCA-OLZOCXBDSA-N 2 0 242.407 1.667 20 0 BDADRP C[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)CC[C@@]1(C)O ZINC001207393931 968750922 /nfs/dbraw/zinc/75/09/22/968750922.db2.gz FUGJLWGNYLFPGD-TZMCWYRMSA-N 2 0 240.391 1.421 20 0 BDADRP CCOC1C[NH+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208106236 969000283 /nfs/dbraw/zinc/00/02/83/969000283.db2.gz CZMSBWIUNKIJEB-UHFFFAOYSA-N 2 0 226.364 1.439 20 0 BDADRP C[NH+]1CCC(C)(C[N@@H+]2C[C@H](F)C[C@H]2CO)CC1 ZINC001208108332 969003521 /nfs/dbraw/zinc/00/35/21/969003521.db2.gz SQWJRECOFDKQHP-NEPJUHHUSA-N 2 0 244.354 1.123 20 0 BDADRP C[NH+]1CCC(C)(C[N@H+](C2CC2)C2COC2)CC1 ZINC001208114404 969004988 /nfs/dbraw/zinc/00/49/88/969004988.db2.gz VCOPIDBIJXIBPS-UHFFFAOYSA-N 2 0 238.375 1.582 20 0 BDADRP CC[NH+](CC)C[C@H](O)C[N@H+](C)C[C@@H]1CC1(C)C ZINC001253187801 969108133 /nfs/dbraw/zinc/10/81/33/969108133.db2.gz JFHMDJFVOLZXDG-QWHCGFSZSA-N 2 0 242.407 1.667 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NCC(=O)C(C)(C)C)C2 ZINC001169096146 969384039 /nfs/dbraw/zinc/38/40/39/969384039.db2.gz UUTOMJYRMWALCN-ZSBIGDGJSA-N 2 0 238.375 1.816 20 0 BDADRP CC(C)C[C@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169079708 969397311 /nfs/dbraw/zinc/39/73/11/969397311.db2.gz KPPHOGSYMMAOMD-YIYPIFLZSA-N 2 0 240.391 1.608 20 0 BDADRP CC[NH+]1CCC(N[C@@]2(C)CCC[N@H+](C)C2)CC1 ZINC001169241198 969530521 /nfs/dbraw/zinc/53/05/21/969530521.db2.gz JOVKGQWRQMCPLT-AWEZNQCLSA-N 2 0 239.407 1.545 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+]CCCC(C)(C)O)CC1 ZINC001254507570 969678251 /nfs/dbraw/zinc/67/82/51/969678251.db2.gz MZUPEFYJADUANQ-GFCCVEGCSA-N 2 0 228.380 1.611 20 0 BDADRP CCN(CC[NH+](C)C)[C@@H]1CCC[N@H+](C)CC1 ZINC001254515944 969686339 /nfs/dbraw/zinc/68/63/39/969686339.db2.gz HBLXKQIZKJNZMS-CYBMUJFWSA-N 2 0 227.396 1.354 20 0 BDADRP CO[C@@H]1CC[N@@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254521207 969702470 /nfs/dbraw/zinc/70/24/70/969702470.db2.gz SRXBZFDWFVMERN-NWDGAFQWSA-N 2 0 212.337 1.191 20 0 BDADRP CN([C@@H]1CC[N@H+](C)C1)[C@@H]1CCC[NH+](C)CC1 ZINC001254522584 969713599 /nfs/dbraw/zinc/71/35/99/969713599.db2.gz HLAMNBCSPUGKEG-CHWSQXEVSA-N 2 0 225.380 1.107 20 0 BDADRP C[N@H+](CCC1OCCO1)[C@@H]1CCC[NH+](C)CC1 ZINC001254527409 969714894 /nfs/dbraw/zinc/71/48/94/969714894.db2.gz XULXHLITYZEGOZ-GFCCVEGCSA-N 2 0 242.363 1.166 20 0 BDADRP [NH3+]Cc1cccc(NCC[C@H]2CCC[NH2+]2)c1 ZINC001169564768 969762889 /nfs/dbraw/zinc/76/28/89/969762889.db2.gz SEJNDCOSWWMHSN-GFCCVEGCSA-N 2 0 219.332 1.699 20 0 BDADRP C[NH+](C)CCCN[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254829311 969792267 /nfs/dbraw/zinc/79/22/67/969792267.db2.gz CINOBAIGOYTWFB-CYBMUJFWSA-N 2 0 225.380 1.012 20 0 BDADRP C[N@@H+]1CC[C@H](n2ccc3c2CC[NH2+]C3)C1 ZINC001255441348 970169321 /nfs/dbraw/zinc/16/93/21/970169321.db2.gz NPGHGLVEVZEKKD-NSHDSACASA-N 2 0 205.305 1.010 20 0 BDADRP COC1CCC([N@H+](C)C2CCN(C)CC2)CC1 ZINC001255455563 970183675 /nfs/dbraw/zinc/18/36/75/970183675.db2.gz BQNFIZMUTBTJCH-UHFFFAOYSA-N 2 0 240.391 1.970 20 0 BDADRP C[N@@H+]1CCC[C@@H](n2ccnc2CCC[NH3+])C1 ZINC001255480263 970217197 /nfs/dbraw/zinc/21/71/97/970217197.db2.gz UECNNFGHZZOKTI-LLVKDONJSA-N 2 0 222.336 1.041 20 0 BDADRP CN1CCC[C@H]([NH+]2CC3(C2)CC[NH+](C)CC3)C1 ZINC001255492715 970254922 /nfs/dbraw/zinc/25/49/22/970254922.db2.gz LFUJLIQSFWVTGL-ZDUSSCGKSA-N 2 0 237.391 1.108 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001255939126 970571164 /nfs/dbraw/zinc/57/11/64/970571164.db2.gz ALCZLKYYTFLZCM-HZSPNIEDSA-N 2 0 241.423 1.966 20 0 BDADRP C[C@H]([NH2+]Cc1csnn1)C1CC[NH2+]CC1 ZINC000400410169 970586477 /nfs/dbraw/zinc/58/64/77/970586477.db2.gz SQALPTHNVIELRY-QMMMGPOBSA-N 2 0 226.349 1.016 20 0 BDADRP Cc1noc(C)c1C[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000400404985 970586735 /nfs/dbraw/zinc/58/67/35/970586735.db2.gz RLIQKDDDZZPDOD-VIFPVBQESA-N 2 0 237.347 1.769 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)[C@H]1CCCO1 ZINC000400433173 970588731 /nfs/dbraw/zinc/58/87/31/970588731.db2.gz LWKMFYRSOSEMJU-DMDPSCGWSA-N 2 0 226.364 1.532 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CC[C@@](C)(O)C1 ZINC001255955556 970590317 /nfs/dbraw/zinc/59/03/17/970590317.db2.gz BSBVIUAGJMYAGG-CHWSQXEVSA-N 2 0 228.380 1.564 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)C1CC[NH2+]CC1 ZINC000400468704 970592656 /nfs/dbraw/zinc/59/26/56/970592656.db2.gz XAIICRCUICEIGE-MBNYWOFBSA-N 2 0 239.407 1.447 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[N@@H+]1C[C@H](O)CC[C@H]1C ZINC001255956008 970596558 /nfs/dbraw/zinc/59/65/58/970596558.db2.gz FOZBWKRBFPCVJB-MGPQQGTHSA-N 2 0 242.407 1.952 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[N@H+](C)[C@@H]1CCOC1 ZINC001255964418 970599977 /nfs/dbraw/zinc/59/99/77/970599977.db2.gz SAZXTUJMYBUWLG-QWHCGFSZSA-N 2 0 228.380 1.828 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC[C@](C)(O)C1 ZINC001255962902 970602781 /nfs/dbraw/zinc/60/27/81/970602781.db2.gz BWAYYGFXNKKVIK-KGLIPLIRSA-N 2 0 242.407 1.954 20 0 BDADRP CCC[N@H+](CCOC)C1CCN(C2CC2)CC1 ZINC001256072914 970634954 /nfs/dbraw/zinc/63/49/54/970634954.db2.gz IHUPITHEWCHVOZ-UHFFFAOYSA-N 2 0 240.391 1.972 20 0 BDADRP CCCN(CCC[NH+](C)C)C1CC[NH+](C)CC1 ZINC001256209215 970712938 /nfs/dbraw/zinc/71/29/38/970712938.db2.gz PFSMNALCQQWENH-UHFFFAOYSA-N 2 0 241.423 1.744 20 0 BDADRP CC[C@H](O)C[NH2+]C1CCC([NH+](CC)CC)CC1 ZINC001173105350 975024110 /nfs/dbraw/zinc/02/41/10/975024110.db2.gz QZVSZBFQIWBLHK-RUXDESIVSA-N 2 0 242.407 2.000 20 0 BDADRP CCCC1CC[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC001333529007 975831703 /nfs/dbraw/zinc/83/17/03/975831703.db2.gz KSIUBJUIGNULRE-AVGNSLFASA-N 2 0 226.364 1.349 20 0 BDADRP COCOCCC[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206292662 978288090 /nfs/dbraw/zinc/28/80/90/978288090.db2.gz DGZCYLYQNNHFNV-ZDUSSCGKSA-N 2 0 244.379 1.448 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cocn2)CC1 ZINC001206311553 978479139 /nfs/dbraw/zinc/47/91/39/978479139.db2.gz QNYAZLRUUMHXCJ-GFCCVEGCSA-N 2 0 223.320 1.626 20 0 BDADRP CC(C)CC[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC001338250932 978643492 /nfs/dbraw/zinc/64/34/92/978643492.db2.gz XJBZIASRGWYMEZ-UHFFFAOYSA-N 2 0 241.423 1.650 20 0 BDADRP [NH3+]CCCC[N@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001235222859 978998692 /nfs/dbraw/zinc/99/86/92/978998692.db2.gz PUKZSSAPVAUCGE-ZJUUUORDSA-N 2 0 218.291 1.702 20 0 BDADRP CN(C)CC[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235233408 979003562 /nfs/dbraw/zinc/00/35/62/979003562.db2.gz PPIQJVJEJVHMEX-AWEZNQCLSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@@H]1CN[C@@H](C)C[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001235440322 979045476 /nfs/dbraw/zinc/04/54/76/979045476.db2.gz GGIHWRJLAWNBPY-XQQFMLRXSA-N 2 0 225.380 1.058 20 0 BDADRP CC[C@H]([NH3+])C[N@H+](C)CCC1CC[NH2+]CC1 ZINC001235713840 979128761 /nfs/dbraw/zinc/12/87/61/979128761.db2.gz HQJXQLOGTZUJMF-LBPRGKRZSA-N 3 0 213.369 1.045 20 0 BDADRP C[C@@H]([NH3+])CN1CC[C@H](c2cccc(F)c2)C1 ZINC001235935381 979211085 /nfs/dbraw/zinc/21/10/85/979211085.db2.gz ULZLDCYDMJTQGG-PWSUYJOCSA-N 2 0 222.307 1.962 20 0 BDADRP CCC1([NH3+])CN(CC2CC3(C2)CC[NH2+]CC3)C1 ZINC001236184408 979435805 /nfs/dbraw/zinc/43/58/05/979435805.db2.gz PSKZSNOHGQBZDY-UHFFFAOYSA-N 2 0 237.391 1.189 20 0 BDADRP [NH3+]C[C@@H]1CC(F)(F)CN1CC[C@@H]1CCCC[NH2+]1 ZINC001237108895 979818279 /nfs/dbraw/zinc/81/82/79/979818279.db2.gz UKZZQDCFKFTXJN-QWRGUYRKSA-N 2 0 247.333 1.187 20 0 BDADRP CC[NH2+]CCN(C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237142662 979822593 /nfs/dbraw/zinc/82/25/93/979822593.db2.gz AWHFWQFLXGMBQG-ZDUSSCGKSA-N 2 0 225.380 1.202 20 0 BDADRP C[NH+]1CCC2(C[NH+](Cc3ccco3)C2)CC1 ZINC001203283208 980761212 /nfs/dbraw/zinc/76/12/12/980761212.db2.gz BBINVFIJHURIHU-UHFFFAOYSA-N 2 0 220.316 1.807 20 0 BDADRP C[C@H](O)C[NH2+]C1CCC2(CC1)CC[NH+](C)CC2 ZINC001346337943 980813244 /nfs/dbraw/zinc/81/32/44/980813244.db2.gz CDAKLXAYKPIYSD-LBPRGKRZSA-N 2 0 240.391 1.611 20 0 BDADRP [NH3+]C[C@@]1(F)CCC[N@H+](CC2CC[NH2+]CC2)CC1 ZINC001205537955 980911457 /nfs/dbraw/zinc/91/14/57/980911457.db2.gz KVVPMNULFVFESD-CYBMUJFWSA-N 3 0 243.370 1.139 20 0 BDADRP OCC[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001580883569 981702924 /nfs/dbraw/zinc/70/29/24/981702924.db2.gz UXJWEYPXYWFJJC-UPJWGTAASA-N 2 0 226.364 1.127 20 0 BDADRP CC(C)C[C@@H]([NH3+])CC(=O)NCC[N@H+](C)C(C)C ZINC001353526489 982882806 /nfs/dbraw/zinc/88/28/06/982882806.db2.gz MQBXPGHICYMRAR-GFCCVEGCSA-N 2 0 243.395 1.206 20 0 BDADRP CCC[C@@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001252799777 983895335 /nfs/dbraw/zinc/89/53/35/983895335.db2.gz ZFTHNAAVHMWNDL-YVECIDJPSA-N 2 0 226.364 1.362 20 0 BDADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@H](C)CC[NH+](C)C ZINC001575541559 984124930 /nfs/dbraw/zinc/12/49/30/984124930.db2.gz WJGAAJIBTVTQRD-NEPJUHHUSA-N 2 0 243.395 1.064 20 0 BDADRP CCOCC[C@H](C)[NH+]1C[C@@H]2C[NH+](CC)C[C@H]2C1 ZINC001172430615 974712006 /nfs/dbraw/zinc/71/20/06/974712006.db2.gz HVANLNBWCSDLOG-IHRRRGAJSA-N 2 0 240.391 1.685 20 0 BDADRP CC(C)OCC[C@@H](C)[N@@H+]1CCC[C@H]1CN ZINC001172450673 974813954 /nfs/dbraw/zinc/81/39/54/974813954.db2.gz ZVTXCIDBDVPRGI-NEPJUHHUSA-N 2 0 214.353 1.613 20 0 BDADRP [NH3+][C@H]1CN(CC[C@@H]2CCC[NH2+]C2)CC(F)(F)C1 ZINC001206116828 972567867 /nfs/dbraw/zinc/56/78/67/972567867.db2.gz GEXNWTIJRDPJDF-WDEREUQCSA-N 2 0 247.333 1.044 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1[C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001246550498 972709832 /nfs/dbraw/zinc/70/98/32/972709832.db2.gz PRKNNNJVVRPHBB-RMPHRYRLSA-N 2 0 208.349 1.843 20 0 BDADRP C[C@@H]1C[C@@H](N2CCCC[C@H]([NH3+])C2)C[C@H](C)[NH2+]1 ZINC001246557865 972772383 /nfs/dbraw/zinc/77/23/83/972772383.db2.gz JGABZOMRHPUPLW-RNJOBUHISA-N 2 0 225.380 1.329 20 0 BDADRP C[C@@H]1CC[C@H](C[NH3+])N(C2C[C@@H](C)[NH2+][C@H](C)C2)C1 ZINC001246562594 972798518 /nfs/dbraw/zinc/79/85/18/972798518.db2.gz YSVJYLFLWYNIQP-FDYHWXHSSA-N 2 0 239.407 1.575 20 0 BDADRP C[C@H]1C[C@@H](CF)[N@@H+]([C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246580866 972932423 /nfs/dbraw/zinc/93/24/23/972932423.db2.gz NYLGPPXPBUDYKP-YFKTTZPYSA-N 2 0 214.328 1.807 20 0 BDADRP C[NH+](C)C1CCC(N2CC[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001246660145 973078610 /nfs/dbraw/zinc/07/86/10/973078610.db2.gz SBRDMEXVZAPYDO-GFJIZPEISA-N 2 0 237.391 1.282 20 0 BDADRP CC[C@@H]1C[C@H](N(C)C[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC001246888830 973324855 /nfs/dbraw/zinc/32/48/55/973324855.db2.gz KPIHUFLZWJJSDW-FRRDWIJNSA-N 2 0 225.380 1.201 20 0 BDADRP CC(C)N(CC[NH3+])C1CC[NH+](C(C)(C)C)CC1 ZINC001256558255 970855242 /nfs/dbraw/zinc/85/52/42/970855242.db2.gz NASMGFCVJCJWPR-UHFFFAOYSA-N 2 0 241.423 1.918 20 0 BDADRP C[C@@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)CCCO1 ZINC001256622340 970886295 /nfs/dbraw/zinc/88/62/95/970886295.db2.gz HMHNDUAAMNJCKF-HABKJSAYSA-N 2 0 238.375 1.722 20 0 BDADRP COC[C@H]1CCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256623902 970891564 /nfs/dbraw/zinc/89/15/64/970891564.db2.gz SVOXVWLFCBSXJE-RBKKPWLPSA-N 2 0 238.375 1.722 20 0 BDADRP C[C@@H](Cc1ccncc1)[NH2+]CC1CN(C)C1 ZINC001256727529 970946920 /nfs/dbraw/zinc/94/69/20/970946920.db2.gz YCNFEJFIXXXRAB-NSHDSACASA-N 2 0 219.332 1.164 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@H](C)Cc1ccncc1 ZINC001256730926 970950666 /nfs/dbraw/zinc/95/06/66/970950666.db2.gz YPOVQHZYZVYUQV-GHMZBOCLSA-N 2 0 207.321 1.197 20 0 BDADRP C[C@@H](Cc1ccncc1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC001256728164 970953692 /nfs/dbraw/zinc/95/36/92/970953692.db2.gz GMVIVNNCFXTANV-UBHSHLNASA-N 2 0 233.359 1.872 20 0 BDADRP C[NH+](C)Cc1cccc(-n2c[nH+]cc2N)c1F ZINC001216228116 970995505 /nfs/dbraw/zinc/99/55/05/970995505.db2.gz QYNUZCRSEWAUQS-UHFFFAOYSA-N 2 0 234.278 1.655 20 0 BDADRP COC(=O)CC1CCC([NH2+]C[C@H](C)C[NH3+])CC1 ZINC001256976939 971056540 /nfs/dbraw/zinc/05/65/40/971056540.db2.gz NLSXTLHJQGYCEG-VOMCLLRMSA-N 2 0 242.363 1.293 20 0 BDADRP CC(C)[NH+]1CC(OCCC[NH+]2CCCC2)C1 ZINC001224743478 973904406 /nfs/dbraw/zinc/90/44/06/973904406.db2.gz AOSPDMYZSJKGTH-UHFFFAOYSA-N 2 0 226.364 1.582 20 0 BDADRP CC(C)[NH+]1CCC(n2ccnc2[C@@H](C)[NH3+])CC1 ZINC001257202049 971122608 /nfs/dbraw/zinc/12/26/08/971122608.db2.gz POBQIQNWXNOTSN-LLVKDONJSA-N 2 0 236.363 1.948 20 0 BDADRP CC(C)[NH+]1CCC(NC(C)(C)C(C)(C)[NH3+])CC1 ZINC001257210369 971128095 /nfs/dbraw/zinc/12/80/95/971128095.db2.gz LPLPMZBHDDZBLQ-UHFFFAOYSA-N 2 0 241.423 1.965 20 0 BDADRP CC(C)[NH+]1CCC(N2CC[N@@H+]3CC[C@H]3C2)CC1 ZINC001257223613 971134789 /nfs/dbraw/zinc/13/47/89/971134789.db2.gz SOHQTPFRGXZTIW-AWEZNQCLSA-N 2 0 237.391 1.249 20 0 BDADRP CC(C)[NH+]1CCC([N@H+](C)CC2COC2)CC1 ZINC001257218584 971135058 /nfs/dbraw/zinc/13/50/58/971135058.db2.gz UYFHVCRVDICDDD-UHFFFAOYSA-N 2 0 226.364 1.437 20 0 BDADRP CCC[C@H](CC)NC(=[NH2+])NCCCC[NH3+] ZINC001257246060 971139771 /nfs/dbraw/zinc/13/97/71/971139771.db2.gz AEHAKOWHWSPKRC-JTQLQIEISA-N 2 0 214.357 1.418 20 0 BDADRP CCC[C@@H](CC)[NH2+]CCC[N@H+](C)CCO ZINC001257251810 971146983 /nfs/dbraw/zinc/14/69/83/971146983.db2.gz BNCIOCIKWSAREA-GFCCVEGCSA-N 2 0 216.369 1.469 20 0 BDADRP CCC[C@H](CC)[NH2+]CCSCC[NH3+] ZINC001257250933 971147720 /nfs/dbraw/zinc/14/77/20/971147720.db2.gz XTYQDOHPQVTYTC-JTQLQIEISA-N 2 0 204.383 1.847 20 0 BDADRP C[C@@H]1CCC[N@H+](CCCCCCO)[C@@H]1CC[NH3+] ZINC000404401994 971158199 /nfs/dbraw/zinc/15/81/99/971158199.db2.gz RUSFISKNBYWYQF-ZIAGYGMSSA-N 2 0 242.407 1.988 20 0 BDADRP C[C@H]1CCC[N@H+](CCCCCCO)[C@@H]1CC[NH3+] ZINC000404401993 971158954 /nfs/dbraw/zinc/15/89/54/971158954.db2.gz RUSFISKNBYWYQF-UONOGXRCSA-N 2 0 242.407 1.988 20 0 BDADRP CC(C)[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001131374718 971169082 /nfs/dbraw/zinc/16/90/82/971169082.db2.gz JIFUIHPAXUTKOO-UHFFFAOYSA-N 2 0 246.314 1.062 20 0 BDADRP CCc1cc(-n2ccnc2CC[NH3+])cc[nH+]1 ZINC000307804307 971178052 /nfs/dbraw/zinc/17/80/52/971178052.db2.gz XYRJDIZUCRWTQW-UHFFFAOYSA-N 2 0 216.288 1.331 20 0 BDADRP CCC[C@@H](C)[NH2+]C[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+] ZINC001257309766 971201920 /nfs/dbraw/zinc/20/19/20/971201920.db2.gz YBDBSIDUEBYQRS-LPWJVIDDSA-N 2 0 244.379 1.489 20 0 BDADRP CC[N@H+](CCN[C@H]1C[C@H]([NH3+])C12CCC2)C1CC1 ZINC000405238305 971214053 /nfs/dbraw/zinc/21/40/53/971214053.db2.gz UYTRTPBQJXOMAB-STQMWFEESA-N 2 0 237.391 1.330 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccccc2)C12CCC2 ZINC000405233778 971212844 /nfs/dbraw/zinc/21/28/44/971212844.db2.gz RWVUOORPMPTCFR-MGPQQGTHSA-N 2 0 246.354 1.580 20 0 BDADRP CC[N@H+](CCN[C@@H]1C[C@H]([NH3+])C12CCC2)C1CC1 ZINC000405238304 971215660 /nfs/dbraw/zinc/21/56/60/971215660.db2.gz UYTRTPBQJXOMAB-QWHCGFSZSA-N 2 0 237.391 1.330 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2nccs2)C12CCC2 ZINC000405228036 971215992 /nfs/dbraw/zinc/21/59/92/971215992.db2.gz FAJDQTMVFFUPGS-UWVGGRQHSA-N 2 0 237.372 1.545 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC[C@H]2CCCCO2)C12CCC2 ZINC000405237149 971216887 /nfs/dbraw/zinc/21/68/87/971216887.db2.gz UBZQZYYYJPKZFT-JHJVBQTASA-N 2 0 238.375 1.805 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405241212 971221359 /nfs/dbraw/zinc/22/13/59/971221359.db2.gz BDOKMRMSCOUXNY-IJLUTSLNSA-N 2 0 234.347 1.131 20 0 BDADRP Cn1ccc2c1cc[nH+]c2N1CC[N@@H+]2CC[C@@H]2C1 ZINC001158424959 971232032 /nfs/dbraw/zinc/23/20/32/971232032.db2.gz ZSUKACKWISBOMD-LLVKDONJSA-N 2 0 242.326 1.468 20 0 BDADRP CC(C)SCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405313022 971233595 /nfs/dbraw/zinc/23/35/95/971233595.db2.gz PULOIZGVCFUOBG-WDEREUQCSA-N 2 0 228.405 1.988 20 0 BDADRP CSCCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405301615 971234063 /nfs/dbraw/zinc/23/40/63/971234063.db2.gz IUWZKOIQAUYDLV-UWVGGRQHSA-N 2 0 214.378 1.599 20 0 BDADRP CCSCCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405295540 971234091 /nfs/dbraw/zinc/23/40/91/971234091.db2.gz GLHHJNDFICVAED-GHMZBOCLSA-N 2 0 228.405 1.989 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CO1 ZINC000405322734 971235892 /nfs/dbraw/zinc/23/58/92/971235892.db2.gz VOWBEIGAYYOULV-VPOLOUISSA-N 2 0 210.321 1.023 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CO1 ZINC000405322731 971237209 /nfs/dbraw/zinc/23/72/09/971237209.db2.gz VOWBEIGAYYOULV-LMLFDSFASA-N 2 0 210.321 1.023 20 0 BDADRP CCOCC(C)(C)C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405333118 971237787 /nfs/dbraw/zinc/23/77/87/971237787.db2.gz FDGDFVDSXAWGGK-NEPJUHHUSA-N 2 0 240.391 1.909 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2O)C12CCC2 ZINC000405352360 971240755 /nfs/dbraw/zinc/24/07/55/971240755.db2.gz OYFNWXMBSCAGOF-YFKTTZPYSA-N 2 0 224.348 1.149 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405347694 971242708 /nfs/dbraw/zinc/24/27/08/971242708.db2.gz LWSFBCOZLRWOCJ-KXNHARMFSA-N 2 0 224.348 1.271 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405368361 971243193 /nfs/dbraw/zinc/24/31/93/971243193.db2.gz XQZRBCIQSDMAEM-FRRDWIJNSA-N 2 0 240.391 1.643 20 0 BDADRP CC(C)(C)C[C@H](O)C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405348637 971244182 /nfs/dbraw/zinc/24/41/82/971244182.db2.gz MNIQCELYOZZYKI-QJPTWQEYSA-N 2 0 240.391 1.643 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405372264 971244495 /nfs/dbraw/zinc/24/44/95/971244495.db2.gz ZKDXYHSDCMIUEK-XQQFMLRXSA-N 2 0 239.407 1.576 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]CC2CC(F)(F)C2)C12CCC2 ZINC000405395272 971246933 /nfs/dbraw/zinc/24/69/33/971246933.db2.gz ICIPWUUYMQSTPJ-UWVGGRQHSA-N 2 0 230.302 1.891 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CC2(CCO)CC2)C12CCC2 ZINC000405394849 971248098 /nfs/dbraw/zinc/24/80/98/971248098.db2.gz HZZXNDBJCYTKJO-MNOVXSKESA-N 2 0 224.348 1.009 20 0 BDADRP CSCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405395429 971248813 /nfs/dbraw/zinc/24/88/13/971248813.db2.gz IFUGMXRZGVKPSN-BDAKNGLRSA-N 2 0 200.351 1.209 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405398669 971249606 /nfs/dbraw/zinc/24/96/06/971249606.db2.gz JJHPHAFFDDIYKD-GRYCIOLGSA-N 2 0 226.364 1.255 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC2(CCO)CC2)C12CCC2 ZINC000405394848 971250380 /nfs/dbraw/zinc/25/03/80/971250380.db2.gz HZZXNDBJCYTKJO-GHMZBOCLSA-N 2 0 224.348 1.009 20 0 BDADRP CCC(CC)(CO)C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405368713 971250559 /nfs/dbraw/zinc/25/05/59/971250559.db2.gz XWGSMCLWINXFOM-VXGBXAGGSA-N 2 0 240.391 1.645 20 0 BDADRP CC(F)(F)CC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405414237 971251998 /nfs/dbraw/zinc/25/19/98/971251998.db2.gz NXVXOWRJBYNKOP-RKDXNWHRSA-N 2 0 218.291 1.891 20 0 BDADRP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405454895 971261415 /nfs/dbraw/zinc/26/14/15/971261415.db2.gz YMJKPKRIMJLVJM-LMLFDSFASA-N 2 0 224.348 1.005 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]Cc2cccc(CO)c2)C12CCC2 ZINC000405471194 971261751 /nfs/dbraw/zinc/26/17/51/971261751.db2.gz KXXXGZDROUQLRO-KGLIPLIRSA-N 2 0 246.354 1.538 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)C12CCC2 ZINC000405494816 971263282 /nfs/dbraw/zinc/26/32/82/971263282.db2.gz PVKJVACNYLWEFK-NDBYEHHHSA-N 2 0 236.359 1.413 20 0 BDADRP CC(C)(CO)CCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405511613 971264732 /nfs/dbraw/zinc/26/47/32/971264732.db2.gz SXAMFSZYYSNOMA-NEPJUHHUSA-N 2 0 240.391 1.645 20 0 BDADRP C[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)C1CC1 ZINC000405516189 971266746 /nfs/dbraw/zinc/26/67/46/971266746.db2.gz UQDIWTYDYVKRPT-ADEWGFFLSA-N 2 0 208.349 1.892 20 0 BDADRP CCCC[C@@H](CC)[NH2+]CCC[N@H+](C)CCO ZINC001257416758 971312004 /nfs/dbraw/zinc/31/20/04/971312004.db2.gz QCTISXYTHIHNEA-CYBMUJFWSA-N 2 0 230.396 1.859 20 0 BDADRP CCc1nnc([C@H](CCCC[NH3+])[NH2+]C)o1 ZINC001217703896 971346578 /nfs/dbraw/zinc/34/65/78/971346578.db2.gz XQCAUMJVUIUOLD-QMMMGPOBSA-N 2 0 212.297 1.022 20 0 BDADRP [NH2+]=C(NC1CCCCC1)SCC[NH3+] ZINC001257449493 971365290 /nfs/dbraw/zinc/36/52/90/971365290.db2.gz DVQBSKXQCNATRY-UHFFFAOYSA-N 2 0 201.339 1.535 20 0 BDADRP [NH3+]Cc1ccc(CO[C@H]2CCCC[NH2+]C2)cc1 ZINC001217770721 971396925 /nfs/dbraw/zinc/39/69/25/971396925.db2.gz VTLWNWWFFYKFGX-AWEZNQCLSA-N 2 0 234.343 1.804 20 0 BDADRP C[C@@H]1C[C@H](OCCC[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001217790449 971406743 /nfs/dbraw/zinc/40/67/43/971406743.db2.gz KJDCZXSOGZKAFS-MGPQQGTHSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]1C[C@H](OCCC[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001217790446 971408455 /nfs/dbraw/zinc/40/84/55/971408455.db2.gz KJDCZXSOGZKAFS-HZSPNIEDSA-N 2 0 240.391 1.923 20 0 BDADRP C[NH2+][C@H]1CC[C@H](OC[C@H]2CCC[NH2+]C2)CC1 ZINC001217826523 971421109 /nfs/dbraw/zinc/42/11/09/971421109.db2.gz BVTUXFYOMCFIPL-AVGNSLFASA-N 2 0 226.364 1.533 20 0 BDADRP [NH3+]Cc1ccccc1CO[C@H]1CC[NH2+]C1 ZINC001217824454 971421123 /nfs/dbraw/zinc/42/11/23/971421123.db2.gz QDEWLAJDNKBLFZ-LBPRGKRZSA-N 2 0 206.289 1.024 20 0 BDADRP C(CO[C@H]1CC[NH2+]C1)C[C@@H]1CCC[NH2+]C1 ZINC001217822627 971421628 /nfs/dbraw/zinc/42/16/28/971421628.db2.gz MVNSWYJEJHZPQV-RYUDHWBXSA-N 2 0 212.337 1.145 20 0 BDADRP CC[NH+](CC)C[C@H](C)OC[C@@H]1CCC[NH2+]C1 ZINC001217829743 971424393 /nfs/dbraw/zinc/42/43/93/971424393.db2.gz SDFOMTOFIAUUAS-QWHCGFSZSA-N 2 0 228.380 1.733 20 0 BDADRP C(CO[C@@H]1CCC12C[NH2+]C2)CC1CC[NH2+]CC1 ZINC001217850907 971446457 /nfs/dbraw/zinc/44/64/57/971446457.db2.gz VJCFZPFBUKVVQT-CYBMUJFWSA-N 2 0 238.375 1.535 20 0 BDADRP C[NH+](C)[C@H]1CC[C@H](OC[C@@H]2CCC[NH2+]C2)CC1 ZINC001217878710 971471070 /nfs/dbraw/zinc/47/10/70/971471070.db2.gz GNGLKRQOMBPRNG-MGPQQGTHSA-N 2 0 240.391 1.875 20 0 BDADRP [NH3+]CCCC[NH2+][C@@H]1Cc2cccc(F)c2C1 ZINC001171776227 974158073 /nfs/dbraw/zinc/15/80/73/974158073.db2.gz RENDQDNCGAYAPA-LLVKDONJSA-N 2 0 222.307 1.621 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]1OCC[C@H]1CCC[NH2+]C1 ZINC001217879377 971476942 /nfs/dbraw/zinc/47/69/42/971476942.db2.gz RWRGEQWQWKYDDN-CHWSQXEVSA-N 2 0 240.391 1.781 20 0 BDADRP CC/C=C/CC[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133297108 971491878 /nfs/dbraw/zinc/49/18/78/971491878.db2.gz GQTJCYRNFOWONZ-AATRIKPKSA-N 2 0 241.379 1.000 20 0 BDADRP C[C@@H]1CC[C@H](OCc2ccccc2C[NH3+])C[NH2+]1 ZINC001217910154 971511391 /nfs/dbraw/zinc/51/13/91/971511391.db2.gz OAKGQZSXUIRCDQ-RISCZKNCSA-N 2 0 234.343 1.802 20 0 BDADRP CC(C)[C@H]([NH3+])CO[C@H]1C[NH2+]CCC12CC2 ZINC001217913251 971512375 /nfs/dbraw/zinc/51/23/75/971512375.db2.gz LDYUIOJCQRFQMQ-MNOVXSKESA-N 2 0 212.337 1.128 20 0 BDADRP CC1(CO[C@@H]2C[NH2+]CCC23CC3)CC[NH2+]CC1 ZINC001217913379 971514625 /nfs/dbraw/zinc/51/46/25/971514625.db2.gz LZPJADAAGJUACS-GFCCVEGCSA-N 2 0 238.375 1.535 20 0 BDADRP C(C[C@@H]1CCC[NH2+]C1)O[C@@H]1C[NH2+]CCC12CC2 ZINC001217913501 971515403 /nfs/dbraw/zinc/51/54/03/971515403.db2.gz MRDDJFDBTXXSDT-QWHCGFSZSA-N 2 0 238.375 1.535 20 0 BDADRP CC(C)C[NH+]1CCC([NH2+]C[C@@H](O)CF)CC1 ZINC001258009309 971551796 /nfs/dbraw/zinc/55/17/96/971551796.db2.gz UMERRFUMKUDBFI-LBPRGKRZSA-N 2 0 232.343 1.027 20 0 BDADRP C[C@@H]([NH3+])c1ccc(O[C@@H]2C[NH2+]C[C@@H]2F)cc1 ZINC001218003181 971565912 /nfs/dbraw/zinc/56/59/12/971565912.db2.gz ZGFKLPVCFURTAG-JFUSQASVSA-N 2 0 224.279 1.395 20 0 BDADRP [NH3+]Cc1cccc(O[C@H]2CCC[NH2+]CC2)c1 ZINC001218001376 971566374 /nfs/dbraw/zinc/56/63/74/971566374.db2.gz USIOPGZGEISDMZ-LBPRGKRZSA-N 2 0 220.316 1.666 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1Oc1ccc(C[NH3+])cc1 ZINC001218032196 971576308 /nfs/dbraw/zinc/57/63/08/971576308.db2.gz XSTZKEXLIJHEIN-FZMZJTMJSA-N 2 0 234.343 1.912 20 0 BDADRP C[C@H]1C[C@H](Oc2ccc(CC[NH3+])cc2)CC[NH2+]1 ZINC001218051153 971590039 /nfs/dbraw/zinc/59/00/39/971590039.db2.gz UWXIEOBAVLAHMB-SMDDNHRTSA-N 2 0 234.343 1.707 20 0 BDADRP [NH3+]Cc1cccc(O[C@@H]2CC[NH2+]C[C@H]2F)c1 ZINC001218073684 971597347 /nfs/dbraw/zinc/59/73/47/971597347.db2.gz VQFSXQWQRGTADM-VXGBXAGGSA-N 2 0 224.279 1.224 20 0 BDADRP c1cc2c(c(O[C@H]3CC[C@]34CC[NH2+]C4)c1)C[NH2+]C2 ZINC001218119665 971601275 /nfs/dbraw/zinc/60/12/75/971601275.db2.gz RJBDTFAIJDJTCT-LSDHHAIUSA-N 2 0 244.338 1.811 20 0 BDADRP c1cc(O[C@H]2CC[C@@]23CC[NH2+]C3)cc2c1C[NH2+]C2 ZINC001218114873 971603029 /nfs/dbraw/zinc/60/30/29/971603029.db2.gz DKMPZKDPWNHRHV-GJZGRUSLSA-N 2 0 244.338 1.811 20 0 BDADRP [NH3+][C@@H]1C[C@H]1c1ccc(O[C@H]2[C@@H]3C[C@H]2C[NH2+]C3)cc1 ZINC001218150369 971607711 /nfs/dbraw/zinc/60/77/11/971607711.db2.gz JEKACMKBBINAKU-WPTOEGHWSA-N 2 0 244.338 1.488 20 0 BDADRP c1cc2c(c(O[C@@H]3C[C@@H]4CC[NH2+][C@H]4C3)c1)C[NH2+]C2 ZINC001218251114 971650196 /nfs/dbraw/zinc/65/01/96/971650196.db2.gz QOCNBWHRPUQESV-SUHUHFCYSA-N 2 0 244.338 1.809 20 0 BDADRP Cn1cccc1CN1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206156900 974328110 /nfs/dbraw/zinc/32/81/10/974328110.db2.gz UBCRXLLWBYSJSK-VXGBXAGGSA-N 2 0 225.311 1.286 20 0 BDADRP C(C1CC1)[NH+]1CCC([NH2+][C@H]2CCOC2)CC1 ZINC000309562463 971668127 /nfs/dbraw/zinc/66/81/27/971668127.db2.gz PGULXXRIBHLNNX-ZDUSSCGKSA-N 2 0 224.348 1.239 20 0 BDADRP Cc1c(O[C@H]2CCC[NH2+]C2)ccc2c1CC[NH2+]C2 ZINC001218284309 971678221 /nfs/dbraw/zinc/67/82/21/971678221.db2.gz PFZGAJSOTNOTEE-ZDUSSCGKSA-N 2 0 246.354 1.772 20 0 BDADRP [NH3+][C@@H]1C[C@H]1c1ccc(O[C@H]2CCC[NH2+]C2)cc1 ZINC001218288102 971685658 /nfs/dbraw/zinc/68/56/58/971685658.db2.gz SICCIHQZMPQUIC-MELADBBJSA-N 2 0 232.327 1.632 20 0 BDADRP C[C@@H]1CC[C@@H](Oc2cccc(C[NH3+])c2)C[NH2+]1 ZINC001218398165 971777065 /nfs/dbraw/zinc/77/70/65/971777065.db2.gz JCSHUPAMLKLVKJ-ZWNOBZJWSA-N 2 0 220.316 1.665 20 0 BDADRP [NH3+]Cc1cccc(O[C@H]2[C@@H]3CC[C@H]2[NH2+]C3)c1 ZINC001218444510 971822711 /nfs/dbraw/zinc/82/27/11/971822711.db2.gz JLNJEIIQCUCDTM-RTXFEEFZSA-N 2 0 218.300 1.275 20 0 BDADRP CC1(C)C[C@H]([NH+]2CCC(C[NH3+])CC2)CC[NH2+]1 ZINC001246539646 972541541 /nfs/dbraw/zinc/54/15/41/972541541.db2.gz SCWSSNXRMKMBJF-GFCCVEGCSA-N 3 0 225.380 1.188 20 0 BDADRP Cc1csc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])c1 ZINC001218622506 971886387 /nfs/dbraw/zinc/88/63/87/971886387.db2.gz YYIXEWIBPRSNII-VIFPVBQESA-N 2 0 241.360 1.451 20 0 BDADRP O=C(Nc1cccc2c1C[NH2+]C2)[C@@H]1CCCC[NH2+]1 ZINC001218994135 971972069 /nfs/dbraw/zinc/97/20/69/971972069.db2.gz BUESSAOIDQUVRS-ZDUSSCGKSA-N 2 0 245.326 1.370 20 0 BDADRP Cc1ccc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)cn1 ZINC000310569058 971976131 /nfs/dbraw/zinc/97/61/31/971976131.db2.gz YRLWBHHUIMPCFG-CYBMUJFWSA-N 2 0 233.359 1.951 20 0 BDADRP CC[C@]([NH3+])(CO)Nc1ccc(C2([NH3+])CC2)cc1 ZINC001170864379 971991717 /nfs/dbraw/zinc/99/17/17/971991717.db2.gz HQTVPVAZYPAAAW-CYBMUJFWSA-N 2 0 235.331 1.104 20 0 BDADRP CC(C)(C)[C@@H]([NH3+])C(=O)Nc1ccc(C[NH3+])cc1 ZINC001219345388 972003444 /nfs/dbraw/zinc/00/34/44/972003444.db2.gz LVWJZTUYXNWSPE-NSHDSACASA-N 2 0 235.331 1.457 20 0 BDADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC ZINC001135979610 972014783 /nfs/dbraw/zinc/01/47/83/972014783.db2.gz HRGVDTKRNSJWLI-NEPJUHHUSA-N 2 0 243.395 1.221 20 0 BDADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC ZINC001135979613 972015370 /nfs/dbraw/zinc/01/53/70/972015370.db2.gz HRGVDTKRNSJWLI-VXGBXAGGSA-N 2 0 243.395 1.221 20 0 BDADRP CC[C@H](C)OCC[C@@H](C)[NH2+]C1CC([NH3+])C1 ZINC001172346382 974614625 /nfs/dbraw/zinc/61/46/25/974614625.db2.gz ZLNPAKANVIFXSE-QKEWWQLBSA-N 2 0 214.353 1.659 20 0 BDADRP C[C@@H]([NH3+])CCNc1cccc2c1CC[C@@H]2[NH3+] ZINC001170891356 972046402 /nfs/dbraw/zinc/04/64/02/972046402.db2.gz XIOWKDSQGLKZLO-SKDRFNHKSA-N 2 0 219.332 1.782 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ccnc(OC(F)F)c1 ZINC001170901279 972048340 /nfs/dbraw/zinc/04/83/40/972048340.db2.gz YEWNUHDQPSAXTG-MRVPVSSYSA-N 2 0 246.261 1.119 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1nccc2sccc21 ZINC001170895811 972051273 /nfs/dbraw/zinc/05/12/73/972051273.db2.gz XVNINXNDRIYOJH-SNVBAGLBSA-N 2 0 236.344 1.732 20 0 BDADRP CCOc1ccc(N[C@H]([NH3+])CCC[NH3+])cc1C ZINC001170901306 972054724 /nfs/dbraw/zinc/05/47/24/972054724.db2.gz YWPROLCUIBHCLN-ZDUSSCGKSA-N 2 0 237.347 1.829 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1cccc2c1COC2 ZINC001170899679 972058133 /nfs/dbraw/zinc/05/81/33/972058133.db2.gz DGVKETVRYWHESJ-LBPRGKRZSA-N 2 0 221.304 1.152 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1cnc2c(c1)CCC2 ZINC001170899280 972060450 /nfs/dbraw/zinc/06/04/50/972060450.db2.gz IXPWUXNCSDUUNR-GFCCVEGCSA-N 2 0 220.320 1.006 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1cncc(C(F)(F)F)c1 ZINC001170900532 972063956 /nfs/dbraw/zinc/06/39/56/972063956.db2.gz VLSUVYKFDRYCIW-VIFPVBQESA-N 2 0 248.252 1.536 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc(C2([NH3+])CC2)cc1 ZINC001170900248 972066249 /nfs/dbraw/zinc/06/62/49/972066249.db2.gz QRFBZZCDGVTXBG-LBPRGKRZSA-N 3 0 234.347 1.070 20 0 BDADRP CC(C)Oc1ccc(N[C@@H]([NH3+])CCC[NH3+])cc1 ZINC001170900557 972066648 /nfs/dbraw/zinc/06/66/48/972066648.db2.gz WBNKHKAWASAKRM-CYBMUJFWSA-N 2 0 237.347 1.909 20 0 BDADRP Cc1cc2ncccc2cc1N[C@H]([NH3+])CCC[NH3+] ZINC001170900450 972066689 /nfs/dbraw/zinc/06/66/89/972066689.db2.gz LJGPCVFJJCSKON-AWEZNQCLSA-N 2 0 244.342 1.979 20 0 BDADRP CCc1cc(OC)ccc1N[C@H]([NH3+])CCC[NH3+] ZINC001170900221 972066741 /nfs/dbraw/zinc/06/67/41/972066741.db2.gz QMMRKQXVSZECGR-ZDUSSCGKSA-N 2 0 237.347 1.693 20 0 BDADRP COc1cccc(N[C@H]([NH3+])CCC[NH3+])c1 ZINC001170900918 972067345 /nfs/dbraw/zinc/06/73/45/972067345.db2.gz ZPDIBZKPDUZWRU-NSHDSACASA-N 2 0 209.293 1.131 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1nccc2cccnc21 ZINC001170901018 972068473 /nfs/dbraw/zinc/06/84/73/972068473.db2.gz TWBDGORKRKSUDS-SNVBAGLBSA-N 2 0 231.303 1.065 20 0 BDADRP Cc1c[nH]c2cccc(N[C@H]([NH3+])CCC[NH3+])c12 ZINC001170901360 972070509 /nfs/dbraw/zinc/07/05/09/972070509.db2.gz ZXMPSKGOBJGYIO-LBPRGKRZSA-N 2 0 232.331 1.912 20 0 BDADRP CC(C)(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])C1CC1 ZINC001219674603 972075081 /nfs/dbraw/zinc/07/50/81/972075081.db2.gz XZZQRLFJQXGADV-NSHDSACASA-N 2 0 241.379 1.138 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1cccc2cnoc21 ZINC001170904303 972078624 /nfs/dbraw/zinc/07/86/24/972078624.db2.gz NKJMGOHBCGXZPN-SNVBAGLBSA-N 2 0 220.276 1.263 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc2c(c1)NCC2 ZINC001170905145 972081565 /nfs/dbraw/zinc/08/15/65/972081565.db2.gz SUUOVWMVRIADBQ-GFCCVEGCSA-N 2 0 220.320 1.090 20 0 BDADRP Cc1ccc(N[C@@H]([NH3+])CCC[NH3+])nc1C ZINC001159786033 972112048 /nfs/dbraw/zinc/11/20/48/972112048.db2.gz VOHHRYZVKWSWFQ-SNVBAGLBSA-N 2 0 208.309 1.134 20 0 BDADRP Cc1nc2ccccc2c(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001159785782 972112218 /nfs/dbraw/zinc/11/22/18/972112218.db2.gz SSSNZTVJFNDQED-GFCCVEGCSA-N 2 0 245.330 1.374 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H](O)C(C)(C)C)CC[C@H]1C[NH3+] ZINC001246018683 972114463 /nfs/dbraw/zinc/11/44/63/972114463.db2.gz FMZKVJQIQTVNPP-FRRDWIJNSA-N 2 0 242.407 1.700 20 0 BDADRP Cc1cc2ccncc2nc1N[C@H]([NH3+])CCC[NH3+] ZINC001159788801 972116723 /nfs/dbraw/zinc/11/67/23/972116723.db2.gz MDGUOILGTYYUED-LBPRGKRZSA-N 2 0 245.330 1.374 20 0 BDADRP CC(C)(C)[C@H](O)C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246019128 972119230 /nfs/dbraw/zinc/11/92/30/972119230.db2.gz CTUUMVTZRJTPFJ-OCCSQVGLSA-N 2 0 242.407 1.844 20 0 BDADRP CC[C@@H](O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001246019519 972120945 /nfs/dbraw/zinc/12/09/45/972120945.db2.gz IPNVNMHRLXJTBK-QJPTWQEYSA-N 2 0 214.353 1.064 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H](O)C(C)(C)C)CCC[C@@H]1C[NH3+] ZINC001246031400 972121910 /nfs/dbraw/zinc/12/19/10/972121910.db2.gz PREKOQDQHTZHEJ-UPJWGTAASA-N 2 0 242.407 1.700 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@@H](F)C2)CC[NH2+]1 ZINC001246089858 972142086 /nfs/dbraw/zinc/14/20/86/972142086.db2.gz CAHRANNIXDARLX-DDHJBXDOSA-N 2 0 214.328 1.855 20 0 BDADRP Cc1ccc(C[NH3+])nc1N(C)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246089739 972142097 /nfs/dbraw/zinc/14/20/97/972142097.db2.gz SDUDSVDPTOXKOC-YPMHNXCESA-N 2 0 248.374 1.425 20 0 BDADRP C[C@H]1C[C@H]([NH2+][C@H]2CCCC[NH2+]C2)CCO1 ZINC001246090641 972142814 /nfs/dbraw/zinc/14/28/14/972142814.db2.gz LHVCTVROANZZRO-TUAOUCFPSA-N 2 0 212.337 1.286 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CCN(C)CC[NH3+])C[C@@H]1C ZINC001172364785 974640543 /nfs/dbraw/zinc/64/05/43/974640543.db2.gz AYNSMURTLGTCGF-AGIUHOORSA-N 2 0 227.396 1.291 20 0 BDADRP C[C@@H]1CC[C@H](n2c(C[NH3+])nc3ccccc32)C[NH2+]1 ZINC001246091903 972145382 /nfs/dbraw/zinc/14/53/82/972145382.db2.gz BBFBWSLLANIWTC-MNOVXSKESA-N 2 0 244.342 1.808 20 0 BDADRP C[NH2+]CC[C@H](C)[NH2+]C[C@]1(C)CCC[NH2+]CC1 ZINC001246095217 972149203 /nfs/dbraw/zinc/14/92/03/972149203.db2.gz OURPSTZQYXNEAK-QWHCGFSZSA-N 3 0 227.396 1.354 20 0 BDADRP C[C@@H]1C[NH2+]CCC[C@@H]1C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246095441 972150243 /nfs/dbraw/zinc/15/02/43/972150243.db2.gz IQDCYFTTZIHGPY-MGPQQGTHSA-N 3 0 239.407 1.354 20 0 BDADRP C[C@H](Cc1ccncc1)[NH2+]C[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246102956 972163572 /nfs/dbraw/zinc/16/35/72/972163572.db2.gz XRJODUSVISLJRZ-UMVBOHGHSA-N 2 0 247.386 1.990 20 0 BDADRP C[C@H]1[NH2+]CCC[C@@H]1CNC1C[C@@H]2C=C[C@H](C1)[NH2+]2 ZINC001246106165 972170100 /nfs/dbraw/zinc/17/01/00/972170100.db2.gz DLHWLGKFPIGSEG-LSGALXMHSA-N 2 0 235.375 1.023 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCO[C@@H](C)C2)[NH2+]C1 ZINC001246105106 972170143 /nfs/dbraw/zinc/17/01/43/972170143.db2.gz LUJHOSBJLDABJA-YVECIDJPSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1CNC1CC[NH+](C)CC1 ZINC001246106119 972168239 /nfs/dbraw/zinc/16/82/39/972168239.db2.gz CTOAIVRYTHBFHB-RYUDHWBXSA-N 2 0 225.380 1.058 20 0 BDADRP C[NH2+]C1CCC([NH2+]C[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC001246112319 972177851 /nfs/dbraw/zinc/17/78/51/972177851.db2.gz NPPSYHOGEBJHHJ-MRFVTOPCSA-N 3 0 239.407 1.352 20 0 BDADRP [NH3+]C1CC(N[C@@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246116773 972179096 /nfs/dbraw/zinc/17/90/96/972179096.db2.gz WUTBQXIPDNUWNM-OTTFEQOBSA-N 2 0 237.391 1.521 20 0 BDADRP COCCCC[N@H+](C)CCC[NH+](C)C ZINC000412971402 972172707 /nfs/dbraw/zinc/17/27/07/972172707.db2.gz NOZPFMOJNCYOKM-UHFFFAOYSA-N 2 0 202.342 1.297 20 0 BDADRP C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246116625 972178819 /nfs/dbraw/zinc/17/88/19/972178819.db2.gz OIIYWIQFLYEFLD-UPJWGTAASA-N 2 0 237.391 1.249 20 0 BDADRP C[NH2+]CC[C@H](C)[NH2+]Cc1ccc2c(c1)CC[NH2+]C2 ZINC001246109328 972175249 /nfs/dbraw/zinc/17/52/49/972175249.db2.gz NWGJXTQFTOIPJJ-LBPRGKRZSA-N 2 0 247.386 1.420 20 0 BDADRP CC[C@@H]1C[C@@H](NC2(C)C[NH2+]C2)C[C@H](CC)[NH2+]1 ZINC001246120399 972182430 /nfs/dbraw/zinc/18/24/30/972182430.db2.gz HJDCNGFODNLRJE-ZSBIGDGJSA-N 2 0 225.380 1.247 20 0 BDADRP CC(C)(C)[C@@H]1C[C@@H](N[C@@H]2C[NH2+]C[C@H]2F)CC[NH2+]1 ZINC001246128073 972184378 /nfs/dbraw/zinc/18/43/78/972184378.db2.gz NDVOHPMQRQUJOF-QCNOEVLYSA-N 2 0 243.370 1.053 20 0 BDADRP CC[C@@H]1CC(N[C@H]2C[NH2+]C[C@H]2F)C[C@@H](CC)[NH2+]1 ZINC001246126110 972185973 /nfs/dbraw/zinc/18/59/73/972185973.db2.gz KTIOWIOBGXWNAG-WFFHOREQSA-N 2 0 243.370 1.195 20 0 BDADRP C1CC12C[NH2+]C[C@@H]2[NH2+]C1CCC2(COC2)CC1 ZINC001246130693 972188069 /nfs/dbraw/zinc/18/80/69/972188069.db2.gz JEJNOBRRBBBHBX-LBPRGKRZSA-N 2 0 236.359 1.287 20 0 BDADRP C1CC12C[NH2+]C[C@H]2[NH2+][C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246131373 972189409 /nfs/dbraw/zinc/18/94/09/972189409.db2.gz JNRLLFPVMWIBPQ-MJBXVCDLSA-N 3 0 249.402 1.250 20 0 BDADRP C1C[C@@H]2[NH2+]CC[C@]2(N[C@H]2CCCC[NH2+]C2)C1 ZINC001246133571 972190428 /nfs/dbraw/zinc/19/04/28/972190428.db2.gz KMBCIZOYMQKCQB-RWMBFGLXSA-N 2 0 223.364 1.003 20 0 BDADRP CC1(C)CC[C@H]([NH2+][C@@H]2C[NH2+]CC23CC3)C1 ZINC001246133511 972190550 /nfs/dbraw/zinc/19/05/50/972190550.db2.gz OCPIDJTZQMYZRG-WDEREUQCSA-N 2 0 208.349 1.907 20 0 BDADRP CC[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CCO1 ZINC001246206675 972216916 /nfs/dbraw/zinc/21/69/16/972216916.db2.gz RBSNISWNQOXALV-NDBYEHHHSA-N 2 0 226.364 1.804 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC001246223681 972233375 /nfs/dbraw/zinc/23/33/75/972233375.db2.gz UPWIWZKKMSGTJM-KSTCHIGDSA-N 3 0 237.391 1.247 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2C[C@H]3CC[C@@H]2CO3)CC1 ZINC001208603596 957089230 /nfs/dbraw/zinc/08/92/30/957089230.db2.gz FJBYRXDDMRKIBV-ZIAGYGMSSA-N 2 0 238.375 1.582 20 0 BDADRP C[C@H]1C[C@H]([NH2+][C@H](CO)C2CCCCC2)CC[NH2+]1 ZINC001246265644 972251396 /nfs/dbraw/zinc/25/13/96/972251396.db2.gz NBMNGLLRURIZOK-IACUBPJLSA-N 2 0 240.391 1.658 20 0 BDADRP CCOC(=O)C[C@@H]1CC[C@H]([NH2+]CC[C@H](C)[NH3+])C1 ZINC001246300013 972263393 /nfs/dbraw/zinc/26/33/93/972263393.db2.gz LGNBLVLBNTZTKA-TUAOUCFPSA-N 2 0 242.363 1.435 20 0 BDADRP C[C@H]([NH3+])CCN[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246303578 972264543 /nfs/dbraw/zinc/26/45/43/972264543.db2.gz ITICMZZVUBFDIE-SRVKXCTJSA-N 2 0 227.396 1.480 20 0 BDADRP C[C@H]([NH3+])CC[NH2+]C1CCC([NH+](C)C)CC1 ZINC001246306912 972268524 /nfs/dbraw/zinc/26/85/24/972268524.db2.gz UEKBGIASYWUVKS-UNXYVOJBSA-N 3 0 213.369 1.186 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246308592 972270344 /nfs/dbraw/zinc/27/03/44/972270344.db2.gz HCARCSHMQYXAAG-BFHYXJOUSA-N 2 0 241.423 1.726 20 0 BDADRP C[NH2+]CC[C@@H](C)[NH2+][C@H]1CNc2ccccc2C1 ZINC001246317007 972275595 /nfs/dbraw/zinc/27/55/95/972275595.db2.gz PYMDMUGMNPJLNZ-DGCLKSJQSA-N 2 0 233.359 1.611 20 0 BDADRP CCOC(=O)C(C)(C)C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC001246313506 972275656 /nfs/dbraw/zinc/27/56/56/972275656.db2.gz FEPFZYMIJSVRSD-MNOVXSKESA-N 2 0 242.363 1.306 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)C[NH2+]1 ZINC000397706364 957781902 /nfs/dbraw/zinc/78/19/02/957781902.db2.gz MQCVRWBFGQHXQQ-RXGFPQBGSA-N 2 0 208.349 1.763 20 0 BDADRP CC[C@@H]1C[C@H](N[C@H]2C[NH2+]CC[C@@H]2C)CC[NH2+]1 ZINC001246333633 972296398 /nfs/dbraw/zinc/29/63/98/972296398.db2.gz WCMZDTFIHVIQDO-LOWDOPEQSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@]23CC[C@@]([NH3+])(C2)CCC3)CCO1 ZINC001246338957 972297880 /nfs/dbraw/zinc/29/78/80/972297880.db2.gz HIQWZBVVZUITSN-SYQHCUMBSA-N 2 0 238.375 1.948 20 0 BDADRP CCCCC[C@H]([NH2+]C)C(=O)N[C@H]1C[C@@](C)([NH3+])C1 ZINC001221241391 972303818 /nfs/dbraw/zinc/30/38/18/972303818.db2.gz UUYKMVFVESLOQV-GMXVVIOVSA-N 2 0 241.379 1.151 20 0 BDADRP CC(C)(C)[NH+]1CCC(N[C@H]2CC23C[NH2+]C3)CC1 ZINC001246443952 972315085 /nfs/dbraw/zinc/31/50/85/972315085.db2.gz IUZGPRJGVKYERY-LBPRGKRZSA-N 2 0 237.391 1.201 20 0 BDADRP CC(C)[NH2+]CC[NH2+]C1CCC2(CC[NH2+]C2)CC1 ZINC001246452058 972319970 /nfs/dbraw/zinc/31/99/70/972319970.db2.gz ITURQEYFINZUQN-UHFFFAOYSA-N 3 0 239.407 1.496 20 0 BDADRP CC(C)[C@@H]1C[C@H](NC[C@@]2(C)CCC[NH2+]2)CC[NH2+]1 ZINC001246456657 972327377 /nfs/dbraw/zinc/32/73/77/972327377.db2.gz NURNVZUTWMDABN-HZSPNIEDSA-N 2 0 239.407 1.495 20 0 BDADRP CC(C)[C@H]1C[C@@H](NC[C@@]2(C)CCC[NH2+]2)CC[NH2+]1 ZINC001246456656 972328108 /nfs/dbraw/zinc/32/81/08/972328108.db2.gz NURNVZUTWMDABN-BFHYXJOUSA-N 2 0 239.407 1.495 20 0 BDADRP CC[C@@H]1C[C@H](N[C@@]2(CC)CC[NH2+]C2)CC[NH2+]1 ZINC001246459417 972329581 /nfs/dbraw/zinc/32/95/81/972329581.db2.gz KAFFFUMPWFAFQO-UPJWGTAASA-N 2 0 225.380 1.249 20 0 BDADRP CCCC[C@H]1C[C@@H](NCC[NH2+]C(C)C)CC[NH2+]1 ZINC001246459071 972333900 /nfs/dbraw/zinc/33/39/00/972333900.db2.gz IZNRZFXUAMOOET-KBPBESRZSA-N 2 0 241.423 1.885 20 0 BDADRP CCSC[C@H](C)[N@H+](C)C[C@H](C)C[NH3+] ZINC000706965238 958312620 /nfs/dbraw/zinc/31/26/20/958312620.db2.gz WAUPCRCCAXJSSK-ZJUUUORDSA-N 2 0 204.383 1.655 20 0 BDADRP C[C@@H]1CC[C@H](NC[C@H]2CCCC[N@@H+]2C)C[NH2+]1 ZINC000399008862 958484330 /nfs/dbraw/zinc/48/43/30/958484330.db2.gz BJEIVOYMMXXVRX-FRRDWIJNSA-N 2 0 225.380 1.201 20 0 BDADRP CC(C)C[C@@H](C[NH3+])N[C@@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246501678 972362566 /nfs/dbraw/zinc/36/25/66/972362566.db2.gz BPEPJALSAZDJHR-RDBSUJKOSA-N 2 0 241.423 1.726 20 0 BDADRP CCOCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC001172408123 974668297 /nfs/dbraw/zinc/66/82/97/974668297.db2.gz FEUXQAZDVXEZCW-OLZOCXBDSA-N 2 0 228.380 1.733 20 0 BDADRP CO[C@H]1CC[C@H]1[N@H+](C)CC1CC[NH2+]CC1 ZINC000724151256 958740100 /nfs/dbraw/zinc/74/01/00/958740100.db2.gz FMWDBTXGVBMVJR-NEPJUHHUSA-N 2 0 212.337 1.095 20 0 BDADRP C[NH+](C)CC(C)(C)CN1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC001207282804 958874467 /nfs/dbraw/zinc/87/44/67/958874467.db2.gz PLXOFMUNBRSSDQ-QWHCGFSZSA-N 2 0 239.407 1.210 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@]12C[C@H]1CCC2 ZINC000693589215 958898972 /nfs/dbraw/zinc/89/89/72/958898972.db2.gz IZYUFFCFEDEJCP-RNJOBUHISA-N 2 0 208.349 1.894 20 0 BDADRP C[C@H]1CCSCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000693592760 958899921 /nfs/dbraw/zinc/89/99/21/958899921.db2.gz QOHKNUUNDITAGT-GARJFASQSA-N 2 0 214.378 1.551 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N2CC[C@@](C)([NH3+])C2)CC[NH2+]1 ZINC001246526846 972397187 /nfs/dbraw/zinc/39/71/87/972397187.db2.gz BWCCVHUILZYPJU-RWMBFGLXSA-N 2 0 225.380 1.186 20 0 BDADRP C[NH2+]CCN1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222154404 972397648 /nfs/dbraw/zinc/39/76/48/972397648.db2.gz KYEHNHCWZINVEC-CQSZACIVSA-N 2 0 239.407 1.452 20 0 BDADRP C(CN1CC[C@@]12CCC[NH2+]C2)[C@@H]1CCCC[NH2+]1 ZINC001222190682 972403127 /nfs/dbraw/zinc/40/31/27/972403127.db2.gz DYRIXKMHXPYXND-UONOGXRCSA-N 2 0 237.391 1.347 20 0 BDADRP Nc1cc[nH+]cc1CN1CCC[C@@]12CCC[NH2+]C2 ZINC001222236871 972413494 /nfs/dbraw/zinc/41/34/94/972413494.db2.gz CGZZTCPUBIKMGJ-CQSZACIVSA-N 2 0 246.358 1.212 20 0 BDADRP C[C@@H]1CCC[N@H+](C[C@H]2CCCOC2)[C@H]1CC[NH3+] ZINC000404412732 959253035 /nfs/dbraw/zinc/25/30/35/959253035.db2.gz DTONKUZPQQVSSN-MCIONIFRSA-N 2 0 240.391 1.862 20 0 BDADRP C(CN1CC2(C1)CCC[NH2+]C2)[C@H]1CCCC[NH2+]1 ZINC001222335290 972439075 /nfs/dbraw/zinc/43/90/75/972439075.db2.gz DNMNMPBZKARMIE-CYBMUJFWSA-N 2 0 237.391 1.204 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)N1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222347125 972440265 /nfs/dbraw/zinc/44/02/65/972440265.db2.gz WUTUORBRSBZPIF-KGLIPLIRSA-N 2 0 237.391 1.204 20 0 BDADRP [NH3+][C@H]1CC[C@H](CO[C@H]2C[NH2+]CCC[C@H]2F)CC1 ZINC001217773632 959587330 /nfs/dbraw/zinc/58/73/30/959587330.db2.gz JSRKTTFQJKXZTL-LPWJVIDDSA-N 2 0 244.354 1.611 20 0 BDADRP C[C@H]1CC[C@@H](CO)[N@@H+]1CC1CC[NH+](C)CC1 ZINC001207391271 959625626 /nfs/dbraw/zinc/62/56/26/959625626.db2.gz AHQTYCAIVBTWQX-AAEUAGOBSA-N 2 0 226.364 1.173 20 0 BDADRP C[C@H]1[NH2+]C[C@H]1OCc1ccc2c(c1)CC[NH2+]C2 ZINC001217905831 959736206 /nfs/dbraw/zinc/73/62/06/959736206.db2.gz CDDCQGQOUQFEGM-QMTHXVAHSA-N 2 0 232.327 1.209 20 0 BDADRP C[C@]1([NH3+])CC[N@@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246533152 972459511 /nfs/dbraw/zinc/45/95/11/972459511.db2.gz CARKSWYVQJLNEN-STQMWFEESA-N 3 0 237.391 1.332 20 0 BDADRP C[C@@]1([NH3+])CC[N@@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246533137 972460500 /nfs/dbraw/zinc/46/05/00/972460500.db2.gz CARKSWYVQJLNEN-CHWSQXEVSA-N 3 0 237.391 1.332 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1Oc1ccc(CC[NH3+])cc1 ZINC001218028651 959839043 /nfs/dbraw/zinc/83/90/43/959839043.db2.gz WBSSHVPPUOZGFQ-SWLSCSKDSA-N 2 0 248.370 1.955 20 0 BDADRP CCc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)nc1 ZINC000708842262 959914268 /nfs/dbraw/zinc/91/42/68/959914268.db2.gz DEQLQWMRWHKBKA-WCQYABFASA-N 2 0 233.359 1.671 20 0 BDADRP C[C@H]1C[N@H+](CC2CC[NH+](C)CC2)C[C@@]1(C)CO ZINC000694672253 959958019 /nfs/dbraw/zinc/95/80/19/959958019.db2.gz JJOADEWAMZUFSJ-JSGCOSHPSA-N 2 0 240.391 1.279 20 0 BDADRP c1cnc2c(c1)C[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001207436804 960089175 /nfs/dbraw/zinc/08/91/75/960089175.db2.gz PYNITGDHXLHHOK-UHFFFAOYSA-N 2 0 217.316 1.397 20 0 BDADRP CC(C)OC1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000695121728 960108287 /nfs/dbraw/zinc/10/82/87/960108287.db2.gz ZJBDXDZEUFTGAD-TXEJJXNPSA-N 2 0 226.364 1.613 20 0 BDADRP [NH3+]CC(C[NH3+])NCCc1ccc2ccccc2c1 ZINC000695340928 960202974 /nfs/dbraw/zinc/20/29/74/960202974.db2.gz RXTKRMNVCNUBNR-UHFFFAOYSA-N 2 0 243.354 1.258 20 0 BDADRP C[NH2+]CCNc1cc(N)c(C(F)(F)F)c[nH+]1 ZINC001167721990 960208923 /nfs/dbraw/zinc/20/89/23/960208923.db2.gz WEJGNUKLUZQLQO-UHFFFAOYSA-N 2 0 234.225 1.314 20 0 BDADRP C[C@@H]1CCN(CC[NH2+]CC2CC[NH+](C)CC2)C1 ZINC000692646118 960383471 /nfs/dbraw/zinc/38/34/71/960383471.db2.gz PYSKELJFUXVTNB-CYBMUJFWSA-N 2 0 239.407 1.260 20 0 BDADRP CC[C@H](CNC(=O)CCC[NH+](C)C)[NH2+]C(C)C ZINC001267817426 960394782 /nfs/dbraw/zinc/39/47/82/960394782.db2.gz LAQGKQHLDRKEPX-GFCCVEGCSA-N 2 0 243.395 1.221 20 0 BDADRP C[C@@H]1C[N@H+](CCC2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC001207488691 960497938 /nfs/dbraw/zinc/49/79/38/960497938.db2.gz OSJMBSPGCKIBGN-QWHCGFSZSA-N 2 0 240.391 1.828 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CC2CC(F)(F)C2)CC[NH2+]1 ZINC000709329912 960515996 /nfs/dbraw/zinc/51/59/96/960515996.db2.gz JJHJJQYAOOMECO-WPRPVWTQSA-N 2 0 218.291 1.762 20 0 BDADRP C[NH+]1CCC2(C[NH+](Cc3cc[nH]c3)C2)CC1 ZINC001140709006 960529751 /nfs/dbraw/zinc/52/97/51/960529751.db2.gz PRXQRNGWILUQKC-UHFFFAOYSA-N 2 0 219.332 1.542 20 0 BDADRP C[NH2+]CCCN1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385431 960579120 /nfs/dbraw/zinc/57/91/20/960579120.db2.gz MUWOFMBCBMXWRP-ZDUSSCGKSA-N 2 0 225.380 1.204 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](CO)CC2)CC[NH2+]1 ZINC000709467561 960612184 /nfs/dbraw/zinc/61/21/84/960612184.db2.gz UOZFVKAPBBTGBR-AGIUHOORSA-N 2 0 226.364 1.221 20 0 BDADRP O[C@@H]1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000709487955 960621232 /nfs/dbraw/zinc/62/12/32/960621232.db2.gz MPMXUXQBLZAISE-OCIKQUFWSA-N 2 0 224.348 1.020 20 0 BDADRP O[C@@H]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000709502250 960626465 /nfs/dbraw/zinc/62/64/65/960626465.db2.gz JWSXSQCEMXOXNJ-SYCZCVCYSA-N 2 0 238.375 1.410 20 0 BDADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925702543 960701092 /nfs/dbraw/zinc/70/10/92/960701092.db2.gz BMILKVYGDCSEKW-JHJVBQTASA-N 3 0 237.391 1.378 20 0 BDADRP C[NH+]1CCN(c2ccccc2C[NH+]2CCC2)CC1 ZINC001140968038 960766478 /nfs/dbraw/zinc/76/64/78/960766478.db2.gz FRYMPQYWLMNARL-UHFFFAOYSA-N 2 0 245.370 1.644 20 0 BDADRP C[NH+]1CCC(C[NH2+]C[C@@H]2CCC[C@H](O)C2)CC1 ZINC000227612407 960775115 /nfs/dbraw/zinc/77/51/15/960775115.db2.gz ROHWITTWBLZJMX-KGLIPLIRSA-N 2 0 240.391 1.469 20 0 BDADRP CC[NH+](CC)CCCN[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000399017241 961058062 /nfs/dbraw/zinc/05/80/62/961058062.db2.gz CTNAOCYZBVYJIN-OLZOCXBDSA-N 2 0 227.396 1.448 20 0 BDADRP CCc1ccncc1NC(=[NH2+])NCCCC[NH3+] ZINC001167881444 961465411 /nfs/dbraw/zinc/46/54/11/961465411.db2.gz GYRNNSAYBMQGQT-UHFFFAOYSA-N 2 0 235.335 1.319 20 0 BDADRP CC[NH+](CC)CCN(CC[NH3+])[C@H]1C[C@H]2C[C@H]2C1 ZINC001167902042 961647887 /nfs/dbraw/zinc/64/78/87/961647887.db2.gz AQIQRDOHINAEJB-WDNDVIMCSA-N 2 0 239.407 1.387 20 0 BDADRP Cc1nc2[nH]ccc2cc1NC(=[NH2+])SCC[NH3+] ZINC001167911665 961818607 /nfs/dbraw/zinc/81/86/07/961818607.db2.gz CTRXXDQYRRXCGV-UHFFFAOYSA-N 2 0 249.343 1.861 20 0 BDADRP [NH3+]Cc1cccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1 ZINC001206640379 962271274 /nfs/dbraw/zinc/27/12/74/962271274.db2.gz JIMCIUQTDQTMNM-HNNXBMFYSA-N 3 0 247.386 1.706 20 0 BDADRP C[NH+](C)C[C@@H]1CCCN1c1cc(N)cc[nH+]1 ZINC000061642796 962459642 /nfs/dbraw/zinc/45/96/42/962459642.db2.gz ZCNLJJWUMLBJFS-NSHDSACASA-N 2 0 220.320 1.194 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+]([C@@H]3C[C@H]4C[C@H]4C3)C2)C1 ZINC001167958061 962823720 /nfs/dbraw/zinc/82/37/20/962823720.db2.gz YBGMZLTWVMRVRJ-CRWXNKLISA-N 2 0 220.360 1.813 20 0 BDADRP Cc1c[nH+]c(N[C@@H]2CC[NH2+][C@@H]2C)cc1N ZINC001155188612 963014660 /nfs/dbraw/zinc/01/46/60/963014660.db2.gz QOLKBJMQADVHQI-PSASIEDQSA-N 2 0 206.293 1.135 20 0 BDADRP CN(c1[nH+]ccc2[nH]ccc21)C1CC[NH2+]CC1 ZINC001156169540 963271639 /nfs/dbraw/zinc/27/16/39/963271639.db2.gz CRZZZCPYSCOVQK-UHFFFAOYSA-N 2 0 230.315 1.751 20 0 BDADRP CC(C)(C)[C@@H](O)C[NH+]1CCC(C[NH3+])CC1 ZINC000389310318 963478887 /nfs/dbraw/zinc/47/88/87/963478887.db2.gz BKEJISPKHOHAQH-NSHDSACASA-N 2 0 214.353 1.064 20 0 BDADRP Cc1c[nH+]c(N2CC[C@@H]([N@@H+](C)C(C)C)C2)cc1N ZINC001157022152 963513313 /nfs/dbraw/zinc/51/33/13/963513313.db2.gz UXUVRXUSANPHKL-GFCCVEGCSA-N 2 0 248.374 1.891 20 0 BDADRP Cc1cc2[nH]ccc2c(NC(=N)SCC[NH3+])[nH+]1 ZINC001157129181 963536445 /nfs/dbraw/zinc/53/64/45/963536445.db2.gz KDZYRANKSNYBJI-UHFFFAOYSA-N 2 0 249.343 1.910 20 0 BDADRP Cn1ccc2c1cc[nH+]c2NC(=N)SCC[NH3+] ZINC001157128522 963536918 /nfs/dbraw/zinc/53/69/18/963536918.db2.gz PSGXTWMBBANPKV-UHFFFAOYSA-N 2 0 249.343 1.612 20 0 BDADRP CC(C)[N@H+](CCC[NH3+])[C@H]1CCO[C@H](C)C1 ZINC001168073347 963606901 /nfs/dbraw/zinc/60/69/01/963606901.db2.gz CNZYRTWYKWKQBL-NEPJUHHUSA-N 2 0 214.353 1.613 20 0 BDADRP CN(C)c1cc[nH+]c(N[C@H]2C[NH2+]CC[C@H]2F)c1 ZINC001157447301 963608394 /nfs/dbraw/zinc/60/83/94/963608394.db2.gz BJJXFWXRIZIZPV-MNOVXSKESA-N 2 0 238.310 1.260 20 0 BDADRP C[N@H+](C[C@@H]1CCCC[NH2+]C1)[C@@H]1CCOC1 ZINC000697039990 963668621 /nfs/dbraw/zinc/66/86/21/963668621.db2.gz HHNDGZFBDVNTNX-VXGBXAGGSA-N 2 0 212.337 1.097 20 0 BDADRP CC[NH2+][C@@H](CNC(=O)CC[N@H+](C)CC)C(C)C ZINC001482562020 963751531 /nfs/dbraw/zinc/75/15/31/963751531.db2.gz HCVXOLHWDPBDEN-LBPRGKRZSA-N 2 0 243.395 1.079 20 0 BDADRP C[C@@H]1C[C@H]([N@H+](C)CC2CC[NH+](C)CC2)CCO1 ZINC001168128264 963803896 /nfs/dbraw/zinc/80/38/96/963803896.db2.gz PIKKKCQBUKWEOF-TZMCWYRMSA-N 2 0 240.391 1.828 20 0 BDADRP CC[N@H+](C1CCN(C)CC1)[C@@H]1CCO[C@H](C)C1 ZINC001168127676 963805160 /nfs/dbraw/zinc/80/51/60/963805160.db2.gz IBSYGHHMDNIJTP-TZMCWYRMSA-N 2 0 240.391 1.970 20 0 BDADRP Cc1c[nH+]c(N2C[C@H](C)[NH2+][C@@H](C)C2)cc1N ZINC001158176488 963820819 /nfs/dbraw/zinc/82/08/19/963820819.db2.gz GCBGNFKHURXUFZ-UWVGGRQHSA-N 2 0 220.320 1.159 20 0 BDADRP C[NH+](C)Cc1ccnc(-n2ccc(C[NH3+])c2)c1 ZINC001158766661 963922025 /nfs/dbraw/zinc/92/20/25/963922025.db2.gz DHZGGSMOBPQJEW-UHFFFAOYSA-N 2 0 230.315 1.393 20 0 BDADRP Cc1c[nH+]c(NCC23CC[NH+](CC2)CC3)c(N)c1 ZINC001158828471 963934836 /nfs/dbraw/zinc/93/48/36/963934836.db2.gz CHTUZGXVULQKHR-UHFFFAOYSA-N 2 0 246.358 1.870 20 0 BDADRP Cc1ccc(NC2(C)CC[NH2+]CC2)[nH+]c1N ZINC001168183856 963939767 /nfs/dbraw/zinc/93/97/67/963939767.db2.gz NWCZWEZMPDDYFR-UHFFFAOYSA-N 2 0 220.320 1.526 20 0 BDADRP F[C@@H]1CC[NH2+]C[C@@H]1Nc1c[nH+]cc2cc[nH]c21 ZINC001168227034 964005877 /nfs/dbraw/zinc/00/58/77/964005877.db2.gz UBVWBVXYWWQJBB-ZJUUUORDSA-N 2 0 234.278 1.675 20 0 BDADRP [NH3+][C@H]1CCc2c1cccc2N[C@H]1C[NH2+]CC[C@H]1F ZINC001168230503 964013525 /nfs/dbraw/zinc/01/35/25/964013525.db2.gz BRGFNGLSJOLCOE-DYEKYZERSA-N 2 0 249.333 1.745 20 0 BDADRP Cn1ccc2c1[nH+]ccc2N[C@H]1C[NH2+]CC[C@H]1F ZINC001168231212 964014655 /nfs/dbraw/zinc/01/46/55/964014655.db2.gz KDWSWMNJXSVEMK-PWSUYJOCSA-N 2 0 248.305 1.685 20 0 BDADRP CCN(C)c1cc(C)[nH+]c(NCC2C[NH+](C)C2)n1 ZINC001159216295 964015846 /nfs/dbraw/zinc/01/58/46/964015846.db2.gz NMYQMLCFCGQURA-UHFFFAOYSA-N 2 0 249.362 1.215 20 0 BDADRP C[NH+]1CC(CNc2cc(N3CCCC3)cc[nH+]2)C1 ZINC001159219500 964019308 /nfs/dbraw/zinc/01/93/08/964019308.db2.gz LCFYGBZJSFZWQO-UHFFFAOYSA-N 2 0 246.358 1.655 20 0 BDADRP [NH3+]Cc1cc(NC=CC2CC[NH2+]CC2)ccn1 ZINC001159296262 964055749 /nfs/dbraw/zinc/05/57/49/964055749.db2.gz JGRJFXOKBNPCJJ-XVNBXDOJSA-N 2 0 232.331 1.466 20 0 BDADRP Cc1c[nH+]c(N[C@@H](C)[C@@H]2C[NH2+]CCO2)c(C)c1 ZINC001159494907 964112872 /nfs/dbraw/zinc/11/28/72/964112872.db2.gz BBSDWQRTUJGVSL-RYUDHWBXSA-N 2 0 235.331 1.487 20 0 BDADRP c1cc2c(cc1NC1=CC[NH2+]CC1)C[NH2+]CC2 ZINC001159609030 964130729 /nfs/dbraw/zinc/13/07/29/964130729.db2.gz JYYAXFWQQUZOHO-UHFFFAOYSA-N 2 0 229.327 1.621 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc2ccccc2n1 ZINC001159778919 964190277 /nfs/dbraw/zinc/19/02/77/964190277.db2.gz BTYJXKJQFQYJMG-GFCCVEGCSA-N 2 0 230.315 1.670 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1nccc2ccccc21 ZINC001159779665 964190990 /nfs/dbraw/zinc/19/09/90/964190990.db2.gz HNBZLTPOFMPGEG-LBPRGKRZSA-N 2 0 230.315 1.670 20 0 BDADRP [NH3+][C@H]1Cc2ccc(NC=C3CC[NH2+]CC3)cc2C1 ZINC001159827754 964209892 /nfs/dbraw/zinc/20/98/92/964209892.db2.gz USYQZOFFQJABIL-AWEZNQCLSA-N 2 0 243.354 1.792 20 0 BDADRP CCCC1CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC1 ZINC001160455281 964305866 /nfs/dbraw/zinc/30/58/66/964305866.db2.gz SJNFKFPAAAYOCO-LBPRGKRZSA-N 2 0 241.379 1.091 20 0 BDADRP C[NH+](C)C1CCC(n2ccnc2C[NH3+])CC1 ZINC001168290372 964381935 /nfs/dbraw/zinc/38/19/35/964381935.db2.gz IJMPBKUWHZVPPV-UHFFFAOYSA-N 2 0 222.336 1.387 20 0 BDADRP C[NH+](C)C1CCC([NH2+]C(C)(C)C(C)(C)[NH3+])CC1 ZINC001168303771 964395134 /nfs/dbraw/zinc/39/51/34/964395134.db2.gz CGZLAMNYSJCRGB-UHFFFAOYSA-N 3 0 241.423 1.965 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCCCC2=O)CC1 ZINC001168300468 964396866 /nfs/dbraw/zinc/39/68/66/964396866.db2.gz VUPGQAGOALQGNA-WXRRBKDZSA-N 2 0 238.375 1.961 20 0 BDADRP CCN1CC[NH+](C2CCC([NH+](C)C)CC2)CC1 ZINC001168316069 964438396 /nfs/dbraw/zinc/43/83/96/964438396.db2.gz VEBUZNRQASHUHT-UHFFFAOYSA-N 2 0 239.407 1.497 20 0 BDADRP CC(C)(C)[C@H](C[NH3+])Nc1cc(N)cc[nH+]1 ZINC001160911732 964441015 /nfs/dbraw/zinc/44/10/15/964441015.db2.gz BTNCJOIPZNVIMN-VIFPVBQESA-N 2 0 208.309 1.449 20 0 BDADRP [NH3+]C/C=C/CNc1cc(N2CCCC2)cc[nH+]1 ZINC001160982946 964471130 /nfs/dbraw/zinc/47/11/30/964471130.db2.gz MMVZMSOWRQFZAP-OWOJBTEDSA-N 2 0 232.331 1.609 20 0 BDADRP C[C@H](CNC1=[NH+]CCCCN1)[NH+]1CCCCC1 ZINC000697669363 964492905 /nfs/dbraw/zinc/49/29/05/964492905.db2.gz GEOUHOSJBNOSLX-GFCCVEGCSA-N 2 0 238.379 1.190 20 0 BDADRP [NH3+]CCCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168355990 964512392 /nfs/dbraw/zinc/51/23/92/964512392.db2.gz HVQVIIATEMHKQC-UHFFFAOYSA-N 3 0 225.380 1.189 20 0 BDADRP CCOC[C@@H](C)[NH2+]CC[C@@H](C)[NH+](C)C ZINC000697864752 964591773 /nfs/dbraw/zinc/59/17/73/964591773.db2.gz AWCLOMGKCJJAAI-GHMZBOCLSA-N 2 0 202.342 1.341 20 0 BDADRP C[C@H](CC[NH2+][C@H]1CCOC[C@H]1C)[NH+](C)C ZINC000697891325 964651454 /nfs/dbraw/zinc/65/14/54/964651454.db2.gz RLPBRZIHCRKVBK-UTUOFQBUSA-N 2 0 214.353 1.341 20 0 BDADRP Cc1cc(NCC[NH+](C)C)nc2c1C[NH2+]CC2 ZINC001161663266 964671272 /nfs/dbraw/zinc/67/12/72/964671272.db2.gz JITSSHRJXGIQOL-UHFFFAOYSA-N 2 0 234.347 1.009 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1CO[C@H]1C[NH+]2CCC1CC2 ZINC001224700892 964888099 /nfs/dbraw/zinc/88/80/99/964888099.db2.gz BVPHTCKMTDXHIU-KGLIPLIRSA-N 2 0 238.375 1.582 20 0 BDADRP Cc1cnc(N[C@H]2C[C@@](C)([NH3+])C2)c(C[NH3+])c1 ZINC001162328942 964934356 /nfs/dbraw/zinc/93/43/56/964934356.db2.gz SXQLYEIFDNBXDI-KLPPZKSPSA-N 2 0 220.320 1.140 20 0 BDADRP Cc1cnc(N[C@]2(C)CCC[N@@H+](C)C2)c(C[NH3+])c1 ZINC001162336515 964938395 /nfs/dbraw/zinc/93/83/95/964938395.db2.gz BVABRKUWCVCBHT-CQSZACIVSA-N 2 0 248.374 1.745 20 0 BDADRP [NH3+][C@H]1CCC[C@@H](Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC001162394816 964955281 /nfs/dbraw/zinc/95/52/81/964955281.db2.gz AIMCQZHXJZZEMZ-QWHCGFSZSA-N 2 0 231.343 1.972 20 0 BDADRP Cc1cc(N(C)C)nc(N[C@@H]2CCC[C@H]([NH3+])C2)[nH+]1 ZINC001162394480 964955831 /nfs/dbraw/zinc/95/58/31/964955831.db2.gz PKJLUQIINCOOLC-WDEREUQCSA-N 2 0 249.362 1.533 20 0 BDADRP C[C@H]1C[NH2+]CCC[C@@H]1CNc1ccnc(C[NH3+])c1 ZINC001162468262 964987600 /nfs/dbraw/zinc/98/76/00/964987600.db2.gz WEPUYBXSDCXMQW-NWDGAFQWSA-N 2 0 248.374 1.588 20 0 BDADRP C[N@@H+]1CCC[C@H]1CO[C@H]1CCC[NH+](C)C1 ZINC001224817026 964988090 /nfs/dbraw/zinc/98/80/90/964988090.db2.gz GMMBAUGOFIQUJQ-RYUDHWBXSA-N 2 0 212.337 1.191 20 0 BDADRP C/C(=C\C=C\N)[NH2+]C[C@@H]1CCC[NH2+]C[C@@H]1C ZINC001162459160 964988361 /nfs/dbraw/zinc/98/83/61/964988361.db2.gz XXLHBFGWQWBQMD-CIZIEETFSA-N 2 0 223.364 1.588 20 0 BDADRP C/C(=C\C=C\N)[NH2+]C[C@H]1CCC[NH2+]C[C@H]1C ZINC001162459161 964989222 /nfs/dbraw/zinc/98/92/22/964989222.db2.gz XXLHBFGWQWBQMD-FCASJNSUSA-N 2 0 223.364 1.588 20 0 BDADRP C[C@@H]1C[NH2+]CCC[C@H]1CNc1c[nH+]cn1C ZINC001162459513 964989729 /nfs/dbraw/zinc/98/97/29/964989729.db2.gz ZRCXUPQDCBJFRK-MNOVXSKESA-N 2 0 222.336 1.468 20 0 BDADRP CC(C)(C)C(=[NH2+])Nc1cc(C[NH3+])ccn1 ZINC001162656363 965093002 /nfs/dbraw/zinc/09/30/02/965093002.db2.gz SUWMZJHMXRXFJP-UHFFFAOYSA-N 2 0 206.293 1.976 20 0 BDADRP c1cc2c[nH+]c(N[C@H]3C=C[C@H]4C[NH2+]C[C@@H]43)cc2[nH]1 ZINC001162789843 965178448 /nfs/dbraw/zinc/17/84/48/965178448.db2.gz MSVMNGNISVCNNU-DLOVCJGASA-N 2 0 240.310 1.749 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CCCOC2)CC[C@H]1C[NH3+] ZINC000690529670 965190652 /nfs/dbraw/zinc/19/06/52/965190652.db2.gz NYZNYWVRDFHDIR-UPJWGTAASA-N 2 0 226.364 1.330 20 0 BDADRP C[n+]1cccc(N[C@H]2C[NH2+]Cc3ccsc32)c1 ZINC001163229469 965313062 /nfs/dbraw/zinc/31/30/62/965313062.db2.gz JIIZTDXURMMUDG-LBPRGKRZSA-N 2 0 246.359 1.829 20 0 BDADRP Cc1[nH+]ccc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)c1F ZINC001163268567 965324689 /nfs/dbraw/zinc/32/46/89/965324689.db2.gz MCRMQXBPRSXMOU-VWYCJHECSA-N 2 0 235.306 1.361 20 0 BDADRP [NH3+]Cc1cc(N[C@H](C[NH3+])c2ccccc2)ncn1 ZINC001163294506 965324881 /nfs/dbraw/zinc/32/48/81/965324881.db2.gz TVCDIFQZGKONEI-GFCCVEGCSA-N 2 0 243.314 1.047 20 0 BDADRP c1cc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)cc(C2CC2)[nH+]1 ZINC001163348080 965348004 /nfs/dbraw/zinc/34/80/04/965348004.db2.gz SKLFWMFNVHKCPK-XBFCOCLRSA-N 2 0 245.326 1.500 20 0 BDADRP CCN(CC)CC[N@H+](CC)CC1CC[NH2+]CC1 ZINC000094025373 965388497 /nfs/dbraw/zinc/38/84/97/965388497.db2.gz FQVFVZUGDRFKOD-UHFFFAOYSA-N 2 0 241.423 1.650 20 0 BDADRP C[n+]1cccc(N[C@H]2C[NH+]3CCC2CC3)c1 ZINC001163394310 965394045 /nfs/dbraw/zinc/39/40/45/965394045.db2.gz FGPAZHPUMBMZAW-ZDUSSCGKSA-N 2 0 218.324 1.017 20 0 BDADRP C[NH2+]C1CN(c2cc(N3CCCC3)cc[nH+]2)C1 ZINC001163707762 965530013 /nfs/dbraw/zinc/53/00/13/965530013.db2.gz VUGRFHOHPYRDRO-UHFFFAOYSA-N 2 0 232.331 1.090 20 0 BDADRP OCCCCC[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000714958998 965559552 /nfs/dbraw/zinc/55/95/52/965559552.db2.gz CMEQAAFYNSBWRV-STQMWFEESA-N 2 0 226.364 1.223 20 0 BDADRP C[N@H+](CCOCC[NH3+])Cc1ccnc(Cl)c1 ZINC000698884805 965585070 /nfs/dbraw/zinc/58/50/70/965585070.db2.gz XOVIUCITMMCJQL-UHFFFAOYSA-N 2 0 243.738 1.142 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)C12CCC2 ZINC000698917896 965589326 /nfs/dbraw/zinc/58/93/26/965589326.db2.gz DHCPCBCTPGZEHE-RVMXOQNASA-N 2 0 220.360 1.892 20 0 BDADRP C1C[NH2+][C@@H]2CC[N@@H+]([C@H]3CCCOC3)C[C@H]2C1 ZINC000715066403 965664606 /nfs/dbraw/zinc/66/46/06/965664606.db2.gz ZWNHSJGBPPTCPW-FRRDWIJNSA-N 2 0 224.348 1.239 20 0 BDADRP Cc1cc(C[NH3+])nn1-c1cccc2c1CC[C@H]2[NH3+] ZINC001163986067 965679781 /nfs/dbraw/zinc/67/97/81/965679781.db2.gz QQNIRZBLMDYEOS-CYBMUJFWSA-N 2 0 242.326 1.585 20 0 BDADRP [NH3+][C@@H]1CCC[N@H+](C[C@@H]2CCC=CO2)CC1 ZINC001205094787 965729304 /nfs/dbraw/zinc/72/93/04/965729304.db2.gz PMNOEZXTJFWUDS-NEPJUHHUSA-N 2 0 210.321 1.492 20 0 BDADRP CC1(C)COCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699208698 965811695 /nfs/dbraw/zinc/81/16/95/965811695.db2.gz GDSRRCFTMDBMNP-YHWZYXNKSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@H]1CC[C@@H](C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)O1 ZINC000699263498 965825912 /nfs/dbraw/zinc/82/59/12/965825912.db2.gz KNEXBNFRVOAIPD-WYTNZGFTSA-N 2 0 238.375 1.674 20 0 BDADRP [NH3+][C@H]1CCC[N@H+](Cc2c[nH]c3cnccc23)CC1 ZINC001205109063 965826700 /nfs/dbraw/zinc/82/67/00/965826700.db2.gz ACWMFSHPEJIQNT-LBPRGKRZSA-N 2 0 244.342 1.876 20 0 BDADRP [NH3+][C@H]1CCN(c2cccc3c2CC[C@@H]3[NH3+])C1 ZINC001164286944 965833117 /nfs/dbraw/zinc/83/31/17/965833117.db2.gz ZQYSOAPEWUQJGG-CABZTGNLSA-N 2 0 217.316 1.170 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH3+])CN1c1cccc(N(C)C)[nH+]1 ZINC001164460263 965891602 /nfs/dbraw/zinc/89/16/02/965891602.db2.gz AXSHSTOXMTWXSM-NEPJUHHUSA-N 2 0 248.374 1.711 20 0 BDADRP CC[C@@H]1COC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000699497610 965920638 /nfs/dbraw/zinc/92/06/38/965920638.db2.gz WQSFCZRYPLKNAX-OUCADQQQSA-N 2 0 238.375 1.485 20 0 BDADRP CC[C@H]1COC[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000699538887 965954705 /nfs/dbraw/zinc/95/47/05/965954705.db2.gz DLMLZICSDNKKMO-KBPBESRZSA-N 2 0 240.391 1.877 20 0 BDADRP CC[C@H]1COC[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000699538889 965956662 /nfs/dbraw/zinc/95/66/62/965956662.db2.gz DLMLZICSDNKKMO-UONOGXRCSA-N 2 0 240.391 1.877 20 0 BDADRP CC[C@H]1COC[C@H]1[NH2+]CCC[NH+](CC)CC ZINC000699550960 965966418 /nfs/dbraw/zinc/96/64/18/965966418.db2.gz HXDOPRKTSZXQNH-QWHCGFSZSA-N 2 0 228.380 1.733 20 0 BDADRP CN(C)c1cccc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)[nH+]1 ZINC001165145835 965973601 /nfs/dbraw/zinc/97/36/01/965973601.db2.gz YBWARSCGLDTZII-TXEJJXNPSA-N 2 0 246.358 1.145 20 0 BDADRP C(CN1CCC[C@]12CC[NH2+]C2)[C@@H]1CCCC[NH2+]1 ZINC001235112257 966005898 /nfs/dbraw/zinc/00/58/98/966005898.db2.gz ZHDDMBSLNOAJCL-UONOGXRCSA-N 2 0 237.391 1.347 20 0 BDADRP Cc1cnc(N2CC[C@@H]3[NH2+]CCO[C@H]3C2)c(C)c1 ZINC001165270685 966016077 /nfs/dbraw/zinc/01/60/77/966016077.db2.gz KAAATXMJBBUFDC-STQMWFEESA-N 2 0 247.342 1.266 20 0 BDADRP Cn1c[nH+]cc1NCC[C@@H]1CCC[N@H+](C)C1 ZINC001165272410 966020130 /nfs/dbraw/zinc/02/01/30/966020130.db2.gz HVHRDPIWNQLQPW-NSHDSACASA-N 2 0 222.336 1.564 20 0 BDADRP Cn1c(=O)cccc1[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC001165291216 966032845 /nfs/dbraw/zinc/03/28/45/966032845.db2.gz ZACLUPUEWYALPF-LBPRGKRZSA-N 2 0 249.358 1.529 20 0 BDADRP c1cc2c[nH+]c(N3CC[C@@H]4[NH2+]CC[C@H]43)cc2[nH]1 ZINC001165296737 966035075 /nfs/dbraw/zinc/03/50/75/966035075.db2.gz UXIGESQMCYJFMP-CMPLNLGQSA-N 2 0 228.299 1.504 20 0 BDADRP C[C@H]1C[N@H+](Cc2cc3ccncc3[nH]2)C[C@H]1C[NH3+] ZINC001205146081 966045247 /nfs/dbraw/zinc/04/52/47/966045247.db2.gz MUADFLPJVPSUTN-CMPLNLGQSA-N 2 0 244.342 1.590 20 0 BDADRP Cc1cc2ccccc2c(N2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)[nH+]1 ZINC001165382000 966070753 /nfs/dbraw/zinc/07/07/53/966070753.db2.gz IJEBPPKYTSPHFP-BTTYYORXSA-N 2 0 239.322 1.937 20 0 BDADRP Cc1c[nH+]c(N2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)cc1C ZINC001165385895 966079283 /nfs/dbraw/zinc/07/92/83/966079283.db2.gz VJLLHCFSQXFRIO-PEGIJTEDSA-N 2 0 203.289 1.092 20 0 BDADRP C[C@@H]1COC[C@@H]1[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000699773179 966083742 /nfs/dbraw/zinc/08/37/42/966083742.db2.gz GBCAESTZWRYOFE-JXJLXUTGSA-N 2 0 232.327 1.756 20 0 BDADRP [NH3+]CCN(CC[NH3+])Cc1cccc2occc21 ZINC001235881519 966125340 /nfs/dbraw/zinc/12/53/40/966125340.db2.gz ZQQOOOBQEQPROS-UHFFFAOYSA-N 2 0 233.315 1.152 20 0 BDADRP CS[C@H](C)CC[N@@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235977464 966190025 /nfs/dbraw/zinc/19/00/25/966190025.db2.gz GNKBZPKWERSWEM-VWYCJHECSA-N 2 0 214.378 1.551 20 0 BDADRP [NH3+][C@@]12CC[C@@H]1CN(CCC[NH+]1CCCCC1)C2 ZINC001235979515 966196432 /nfs/dbraw/zinc/19/64/32/966196432.db2.gz MMBHVPABXHLESB-ZIAGYGMSSA-N 2 0 237.391 1.286 20 0 BDADRP C[C@H]1C[C@@H]([NH3+])CN(Cc2cccc3c2CCN3)C1 ZINC001236052423 966255052 /nfs/dbraw/zinc/25/50/52/966255052.db2.gz QUYPXITYBWBGBZ-WCQYABFASA-N 2 0 245.370 1.824 20 0 BDADRP Cc1c[nH+]c(N2CCC([NH3+])CC2)cc1C ZINC001166665513 966354053 /nfs/dbraw/zinc/35/40/53/966354053.db2.gz AXQLDBMPUXAJJF-UHFFFAOYSA-N 2 0 205.305 1.626 20 0 BDADRP C([C@H]1CCCCO1)[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236313953 966361491 /nfs/dbraw/zinc/36/14/91/966361491.db2.gz BKLWQIRDQIIIJL-HZSPNIEDSA-N 2 0 238.375 1.487 20 0 BDADRP Cc1c[nH+]c(N(C)C[C@@H]2CC[NH2+]C2)cc1C ZINC001166958101 966474651 /nfs/dbraw/zinc/47/46/51/966474651.db2.gz SRWOOZOSLWHVND-GFCCVEGCSA-N 2 0 219.332 1.744 20 0 BDADRP Cc1c[nH+]c(N(C)C[C@@H]2CC[NH2+]C2)c(N)c1 ZINC001166957470 966484701 /nfs/dbraw/zinc/48/47/01/966484701.db2.gz AROYPWHRJGINSD-SNVBAGLBSA-N 2 0 220.320 1.018 20 0 BDADRP CS[C@@H](C)CC[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205210609 966849066 /nfs/dbraw/zinc/84/90/66/966849066.db2.gz QDXIWKMPWPWURP-NWDGAFQWSA-N 2 0 246.420 1.304 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]C[C@@H]3CCSC3)[C@H]2C1 ZINC001204089815 966888742 /nfs/dbraw/zinc/88/87/42/966888742.db2.gz RKENJFLURRXQGD-CYDGBPFRSA-N 2 0 240.416 1.669 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@@H](CO)C2)CC1 ZINC001204144241 966901734 /nfs/dbraw/zinc/90/17/34/966901734.db2.gz FJTPKRYFRLQLGT-CQSZACIVSA-N 2 0 240.391 1.423 20 0 BDADRP C/C=C(\NC=[NH2+])N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001168593436 966960452 /nfs/dbraw/zinc/96/04/52/966960452.db2.gz NWMCPRKHSAITMH-XRZWYTLSSA-N 2 0 224.352 1.507 20 0 BDADRP Cc1nc[nH]c1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001204593769 967093308 /nfs/dbraw/zinc/09/33/08/967093308.db2.gz UBATUHDIXQPCCC-NEPJUHHUSA-N 2 0 234.347 1.102 20 0 BDADRP [NH3+]CCCC[NH+]1CC2(C1)CC(F)(F)C2 ZINC001204749105 967147589 /nfs/dbraw/zinc/14/75/89/967147589.db2.gz XWVCCTQOONURSI-UHFFFAOYSA-N 2 0 204.264 1.456 20 0 BDADRP CC[NH+]1CCC(C[N@H+](C)CC[C@@H](C)O)CC1 ZINC001204768848 967159633 /nfs/dbraw/zinc/15/96/33/967159633.db2.gz NGUHEDVISCWHFR-GFCCVEGCSA-N 2 0 228.380 1.421 20 0 BDADRP Cc1cnc(-c2cncc(C[NH3+])c2)c(C[NH3+])c1 ZINC001239791747 967187663 /nfs/dbraw/zinc/18/76/63/967187663.db2.gz KYOOZFSKIQLPNT-UHFFFAOYSA-N 2 0 228.299 1.369 20 0 BDADRP CC[N@@H+]1CC[C@H](N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000715580899 967195078 /nfs/dbraw/zinc/19/50/78/967195078.db2.gz OEGJTRHLNWQSNI-HZSPNIEDSA-N 2 0 239.407 1.543 20 0 BDADRP C[C@@H]1CN(CC[NH3+])[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001204895723 967216877 /nfs/dbraw/zinc/21/68/77/967216877.db2.gz BRPOUAIOXRZNQO-UONOGXRCSA-N 2 0 247.386 1.540 20 0 BDADRP C[NH+]1CCC(C[N@H+](CCO)C2CCC2)CC1 ZINC000691346776 967237362 /nfs/dbraw/zinc/23/73/62/967237362.db2.gz DEIWZJIBELHKTB-UHFFFAOYSA-N 2 0 226.364 1.175 20 0 BDADRP C[C@]1([NH3+])CCCN(Cc2ccc(C[NH3+])cc2)C1 ZINC001204937547 967239642 /nfs/dbraw/zinc/23/96/42/967239642.db2.gz DQKUZKFXCZHIQN-AWEZNQCLSA-N 3 0 233.359 1.459 20 0 BDADRP C[C@]1([NH3+])CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC001204938500 967243272 /nfs/dbraw/zinc/24/32/72/967243272.db2.gz MJFVJSXDTYDIMB-STQMWFEESA-N 3 0 225.380 1.189 20 0 BDADRP COc1ccc(C[NH+]2CCC(C[NH3+])CC2)nc1C ZINC001205058616 967313273 /nfs/dbraw/zinc/31/32/73/967313273.db2.gz OZRZICMYNGHGNP-UHFFFAOYSA-N 2 0 249.358 1.569 20 0 BDADRP C[C@H]1CC[C@@H](CN)[N@@H+]1CCC1CC[NH2+]CC1 ZINC001205058046 967313757 /nfs/dbraw/zinc/31/37/57/967313757.db2.gz DMVUXZUYIBSYMK-AAEUAGOBSA-N 2 0 225.380 1.188 20 0 BDADRP CNc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC001205058403 967314098 /nfs/dbraw/zinc/31/40/98/967314098.db2.gz LNPLPBMAXIYSTD-UHFFFAOYSA-N 2 0 233.359 1.899 20 0 BDADRP Cc1ncsc1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205093778 967336393 /nfs/dbraw/zinc/33/63/93/967336393.db2.gz GBNNICCGJVPBEP-JTQLQIEISA-N 2 0 225.361 1.765 20 0 BDADRP [NH3+][C@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC001205093475 967339245 /nfs/dbraw/zinc/33/92/45/967339245.db2.gz AYJORKNJHDAPOC-OLZOCXBDSA-N 3 0 225.380 1.189 20 0 BDADRP Cc1ncsc1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205093780 967341387 /nfs/dbraw/zinc/34/13/87/967341387.db2.gz GBNNICCGJVPBEP-SNVBAGLBSA-N 2 0 225.361 1.765 20 0 BDADRP [NH3+][C@@H]1CCC[N@H+](Cc2c[nH]c3ncccc23)CC1 ZINC001205101406 967349236 /nfs/dbraw/zinc/34/92/36/967349236.db2.gz FCDZLMAYQRNIDX-GFCCVEGCSA-N 2 0 244.342 1.876 20 0 BDADRP COc1ccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)cc1N ZINC001205109858 967354700 /nfs/dbraw/zinc/35/47/00/967354700.db2.gz LIWRIKSXBOKKOG-LBPRGKRZSA-N 2 0 249.358 1.591 20 0 BDADRP [NH3+][C@H]1CCC[N@H+](Cc2cccc3c[nH]nc32)CC1 ZINC001205117928 967365003 /nfs/dbraw/zinc/36/50/03/967365003.db2.gz ZBMPBJOYMFDPND-ZDUSSCGKSA-N 2 0 244.342 1.876 20 0 BDADRP [NH3+][C@H]1CCC[N@H+](Cc2cc3ccncc3[nH]2)CC1 ZINC001205117816 967367146 /nfs/dbraw/zinc/36/71/46/967367146.db2.gz WBWZAQBATYLIEZ-LBPRGKRZSA-N 2 0 244.342 1.876 20 0 BDADRP [NH3+][C@H]1CCC[N@H+](CC2OC=CC2=S)CC1 ZINC001205124281 967368816 /nfs/dbraw/zinc/36/88/16/967368816.db2.gz NHOIDMVTRILRMU-VIFPVBQESA-N 2 0 226.345 1.882 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccn3ccnc3c2)C[C@H]1C[NH3+] ZINC001205141159 967389545 /nfs/dbraw/zinc/38/95/45/967389545.db2.gz XSLAMCHTNSPFTC-WCQYABFASA-N 2 0 244.342 1.361 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccc3c(c2)CCN3)C[C@H]1C[NH3+] ZINC001205151512 967395333 /nfs/dbraw/zinc/39/53/33/967395333.db2.gz WCZPKWHKRFMLEB-SMDDNHRTSA-N 2 0 245.370 1.681 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCN1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001205177588 967410145 /nfs/dbraw/zinc/41/01/45/967410145.db2.gz XMNJXEOHEDOQII-IAQYHMDHSA-N 2 0 245.370 1.254 20 0 BDADRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2cccs2)CC1 ZINC001205210648 967427200 /nfs/dbraw/zinc/42/72/00/967427200.db2.gz QFYOACZDZQALCJ-LBPRGKRZSA-N 2 0 240.372 1.424 20 0 BDADRP C[C@@]1([NH3+])CCC[N@H+](CC2(F)CC[NH2+]CC2)CC1 ZINC001205256091 967447459 /nfs/dbraw/zinc/44/74/59/967447459.db2.gz MWLCSUJGBAYYFB-GFCCVEGCSA-N 3 0 243.370 1.281 20 0 BDADRP Cc1nc[nH]c1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205265260 967456516 /nfs/dbraw/zinc/45/65/16/967456516.db2.gz PDQFGJHHOIRMHF-LBPRGKRZSA-N 2 0 222.336 1.421 20 0 BDADRP C[C@]1([NH3+])CCC[N@H+](Cc2ccncc2N)CC1 ZINC001205274051 967465710 /nfs/dbraw/zinc/46/57/10/967465710.db2.gz SOJNWIFJTNHXMH-ZDUSSCGKSA-N 2 0 234.347 1.367 20 0 BDADRP C[C@]1([NH3+])CCC[N@H+](Cc2ccccc2N)CC1 ZINC001205287900 967479444 /nfs/dbraw/zinc/47/94/44/967479444.db2.gz CVBDONLAVHCUJV-AWEZNQCLSA-N 2 0 233.359 1.972 20 0 BDADRP C[NH+](C)CC1(C[NH2+][C@@H]2CCCOC2)CCCC1 ZINC001205299246 967496731 /nfs/dbraw/zinc/49/67/31/967496731.db2.gz LZRDGGZJPSIRBS-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@H]1CC[NH2+]CCN1CC[C@@H]1CCCC[NH2+]1 ZINC001205325998 967543054 /nfs/dbraw/zinc/54/30/54/967543054.db2.gz SQMQUXBBBIGXSC-STQMWFEESA-N 2 0 225.380 1.202 20 0 BDADRP C[C@@H]1CC[NH2+]CCN1C[C@H]([NH3+])Cc1ccccc1 ZINC001205325530 967544596 /nfs/dbraw/zinc/54/45/96/967544596.db2.gz OVBHZGZRDANIDD-UKRRQHHQSA-N 2 0 247.386 1.240 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001205046356 967596706 /nfs/dbraw/zinc/59/67/06/967596706.db2.gz FPIMSQAMBDXBTJ-UHFFFAOYSA-N 3 0 244.342 1.734 20 0 BDADRP Cc1nc[nH]c1C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205546608 967689247 /nfs/dbraw/zinc/68/92/47/967689247.db2.gz XBMVOWGLVMRCLA-LBPRGKRZSA-N 2 0 240.326 1.371 20 0 BDADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2ccoc2)CC1 ZINC001205546631 967692682 /nfs/dbraw/zinc/69/26/82/967692682.db2.gz XLKMCRXEPKTXDG-GFCCVEGCSA-N 2 0 226.295 1.933 20 0 BDADRP Cc1ncc(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)o1 ZINC001205582101 967707418 /nfs/dbraw/zinc/70/74/18/967707418.db2.gz WSWHVFJCGNXEDO-GFCCVEGCSA-N 2 0 241.310 1.636 20 0 BDADRP C[C@@H]1CCN(C[C@@H]2CCC[NH2+]2)CC[C@H]1C[NH3+] ZINC001205600523 967718058 /nfs/dbraw/zinc/71/80/58/967718058.db2.gz CEYHUCJSYWHSCM-AGIUHOORSA-N 2 0 225.380 1.045 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2CCCOC2)CC[C@@H]1C[NH3+] ZINC001205600502 967718230 /nfs/dbraw/zinc/71/82/30/967718230.db2.gz CCMDDPBWFVYFIZ-HZSPNIEDSA-N 2 0 240.391 1.720 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@H]2CCCCO2)CC[C@H]1C[NH3+] ZINC001205599888 967720134 /nfs/dbraw/zinc/72/01/34/967720134.db2.gz AMIDXGNRHNTFIV-HZSPNIEDSA-N 2 0 240.391 1.862 20 0 BDADRP Cc1n[nH]cc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205615985 967725058 /nfs/dbraw/zinc/72/50/58/967725058.db2.gz BLQHGCJLLQTQIP-PWSUYJOCSA-N 2 0 236.363 1.525 20 0 BDADRP C[C@H]1CC[N@H+](Cc2cscn2)CC[C@@H]1C[NH3+] ZINC001205615801 967727405 /nfs/dbraw/zinc/72/74/05/967727405.db2.gz BDHRUHSTZOYYSS-WDEREUQCSA-N 2 0 239.388 1.950 20 0 BDADRP Cc1nc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c[nH]1 ZINC001205639302 967732751 /nfs/dbraw/zinc/73/27/51/967732751.db2.gz YRSNOBBXZMAMKR-PWSUYJOCSA-N 2 0 236.363 1.525 20 0 BDADRP C[C@H]1CC[N@H+](Cc2ccncc2N)CC[C@H]1C[NH3+] ZINC001205626955 967734607 /nfs/dbraw/zinc/73/46/07/967734607.db2.gz KXSIZYGVGYLMHU-RYUDHWBXSA-N 2 0 248.374 1.471 20 0 BDADRP C[C@H]1CC[N@H+](Cc2ccncc2[O-])CC[C@@H]1C[NH3+] ZINC001205627552 967737820 /nfs/dbraw/zinc/73/78/20/967737820.db2.gz QNFXYYLGRGMFIB-NWDGAFQWSA-N 2 0 249.358 1.594 20 0 BDADRP [NH3+]Cc1ccnc(N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC001162385574 967819972 /nfs/dbraw/zinc/81/99/72/967819972.db2.gz PSYGIMCYFPPFPS-WDEREUQCSA-N 2 0 220.320 1.222 20 0 BDADRP C[C@@H]1CC[C@@H](CN)[N@H+](CCCCCC[NH3+])C1 ZINC001205807041 967829448 /nfs/dbraw/zinc/82/94/48/967829448.db2.gz XLTLPOXJUAYAIX-OLZOCXBDSA-N 2 0 227.396 1.565 20 0 BDADRP C[C@@H]1[C@H](C[NH3+])CCCN1CC[C@H]1CCCC[NH2+]1 ZINC001205903479 967880627 /nfs/dbraw/zinc/88/06/27/967880627.db2.gz PNNYGUAHGSBADK-HZSPNIEDSA-N 2 0 239.407 1.578 20 0 BDADRP COC1CC(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000703882912 967881520 /nfs/dbraw/zinc/88/15/20/967881520.db2.gz YIQMFJWXDSDSDA-YCKYNJIMSA-N 2 0 238.375 1.471 20 0 BDADRP COC1CC(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000703882909 967882288 /nfs/dbraw/zinc/88/22/88/967882288.db2.gz YIQMFJWXDSDSDA-IYIPPKHMSA-N 2 0 238.375 1.471 20 0 BDADRP Cc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1C ZINC001205946194 967896233 /nfs/dbraw/zinc/89/62/33/967896233.db2.gz JUABWDRBPBPXOK-ZIAGYGMSSA-N 2 0 234.343 1.197 20 0 BDADRP Cc1cc(C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1C ZINC001205958973 967905328 /nfs/dbraw/zinc/90/53/28/967905328.db2.gz JAONYDFWPMCQJE-HUUCEWRRSA-N 2 0 248.370 1.506 20 0 BDADRP COc1cc[nH+]c(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)c1 ZINC001162790688 967923311 /nfs/dbraw/zinc/92/33/11/967923311.db2.gz VRPXIIVLWDMMFN-MVWJERBFSA-N 2 0 231.299 1.276 20 0 BDADRP C[C@H]1C[N@H+](CCCCCO)CCC[C@H]1C[NH3+] ZINC001205984701 967931512 /nfs/dbraw/zinc/93/15/12/967931512.db2.gz UJXRSJPKYLTDIK-STQMWFEESA-N 2 0 228.380 1.456 20 0 BDADRP C[C@H]1C[N@H+](CCCCCO)CCC[C@@H]1C[NH3+] ZINC001205984700 967935557 /nfs/dbraw/zinc/93/55/57/967935557.db2.gz UJXRSJPKYLTDIK-QWHCGFSZSA-N 2 0 228.380 1.456 20 0 BDADRP COCCCC[N@@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205985671 967942555 /nfs/dbraw/zinc/94/25/55/967942555.db2.gz ZMBJLNLPKWEANY-QWHCGFSZSA-N 2 0 228.380 1.720 20 0 BDADRP C[C@H]1C[N@H+](Cc2cccnc2N)CCC[C@H]1C[NH3+] ZINC001206014771 967967377 /nfs/dbraw/zinc/96/73/77/967967377.db2.gz XZPRXOOLIOLXQM-RYUDHWBXSA-N 2 0 248.374 1.471 20 0 BDADRP C[C@@H]1CCN(C[C@H]([NH3+])Cc2ccccc2)C[C@H]1[NH3+] ZINC001206037055 967990906 /nfs/dbraw/zinc/99/09/06/967990906.db2.gz SRUODOTXMOKMCN-BPLDGKMQSA-N 2 0 247.386 1.226 20 0 BDADRP C[C@@H]1CCN(CC2(C)CC[NH2+]CC2)C[C@H]1[NH3+] ZINC001206036166 967996705 /nfs/dbraw/zinc/99/67/05/967996705.db2.gz HFRSVLSLUOUVHC-VXGBXAGGSA-N 2 0 225.380 1.045 20 0 BDADRP CC1(CN2C[C@H]([NH3+])CC(F)(F)C2)CC[NH2+]CC1 ZINC001206116595 968068149 /nfs/dbraw/zinc/06/81/49/968068149.db2.gz DARPCMLDBOQRNI-SNVBAGLBSA-N 2 0 247.333 1.044 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2ccc[nH]c2=O)CC1 ZINC001206305140 968213324 /nfs/dbraw/zinc/21/33/24/968213324.db2.gz UNMYFBRMBCOROT-CQSZACIVSA-N 2 0 249.358 1.738 20 0 BDADRP Cc1nc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)co1 ZINC001206305226 968214763 /nfs/dbraw/zinc/21/47/63/968214763.db2.gz WOJKZPFSHWNWCU-ZDUSSCGKSA-N 2 0 237.347 1.934 20 0 BDADRP C[C@@]1(C[NH3+])CCCC[N@H+](CCCCC[NH3+])C1 ZINC001206540984 968369653 /nfs/dbraw/zinc/36/96/53/968369653.db2.gz DZRBNMQZUTZEHO-ZDUSSCGKSA-N 3 0 227.396 1.566 20 0 BDADRP [NH3+]C[C@@H]1CCCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC001206607384 968414351 /nfs/dbraw/zinc/41/43/51/968414351.db2.gz ZTQQUBBZPVABLT-STQMWFEESA-N 3 0 225.380 1.047 20 0 BDADRP [NH3+]C[C@@H]1CCCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC001206607383 968414720 /nfs/dbraw/zinc/41/47/20/968414720.db2.gz ZTQQUBBZPVABLT-QWHCGFSZSA-N 3 0 225.380 1.047 20 0 BDADRP CC(C)[N@@H+]1CC[C@H]([NH2+]C[C@H](C)O)[C@H](C)C1 ZINC001251978150 968421308 /nfs/dbraw/zinc/42/13/08/968421308.db2.gz NMYLLKMHWZXZIE-WOPDTQHZSA-N 2 0 214.353 1.076 20 0 BDADRP CCc1nccc(CN2CCCC[C@H](C[NH3+])C2)n1 ZINC001206616925 968418209 /nfs/dbraw/zinc/41/82/09/968418209.db2.gz UJRQCIAZRXMMDF-GFCCVEGCSA-N 2 0 248.374 1.600 20 0 BDADRP Nc1cccnc1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206615147 968420288 /nfs/dbraw/zinc/42/02/88/968420288.db2.gz DBUSSJSSKYPFLO-NSHDSACASA-N 2 0 234.347 1.225 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCCC(F)(F)[C@@H](F)C1 ZINC001206744194 968451763 /nfs/dbraw/zinc/45/17/63/968451763.db2.gz GXWFXLVAGIZJIR-VIFPVBQESA-N 2 0 224.270 1.795 20 0 BDADRP CC[NH+]1C[C@@H]2C[NH+](Cc3cc[nH]c(=O)c3)C[C@H]2C1 ZINC001207125759 968644873 /nfs/dbraw/zinc/64/48/73/968644873.db2.gz LQGWGHSSNUZISE-CHWSQXEVSA-N 2 0 247.342 1.171 20 0 BDADRP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@H](CO)C1 ZINC001207274466 968704826 /nfs/dbraw/zinc/70/48/26/968704826.db2.gz CRLQDTGRHCYXRP-LBPRGKRZSA-N 2 0 228.380 1.279 20 0 BDADRP CC[N@@H+]1CCCN(CC(C)(C)C[NH+](C)C)CC1 ZINC001207276292 968709800 /nfs/dbraw/zinc/70/98/00/968709800.db2.gz UYZBTSDHDXQBSF-UHFFFAOYSA-N 2 0 241.423 1.602 20 0 BDADRP C[NH+](C)CC(C)(C)C[N@@H+]1CCC2(COC2)C1 ZINC001207280267 968713821 /nfs/dbraw/zinc/71/38/21/968713821.db2.gz SNICPHBPQVJJBH-UHFFFAOYSA-N 2 0 226.364 1.297 20 0 BDADRP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@@]2(CCO2)C1 ZINC001207282460 968715878 /nfs/dbraw/zinc/71/58/78/968715878.db2.gz JZVYSLUMVLNMGA-CQSZACIVSA-N 2 0 240.391 1.829 20 0 BDADRP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@@](C)(O)C1 ZINC001207286509 968716641 /nfs/dbraw/zinc/71/66/41/968716641.db2.gz VNYIOPULSLZFFN-CYBMUJFWSA-N 2 0 228.380 1.421 20 0 BDADRP C[NH+]1CCC(C[N@H+]2CCC(=O)[C@H](F)CC2)CC1 ZINC001207392215 968751437 /nfs/dbraw/zinc/75/14/37/968751437.db2.gz WPCSEUNSBVNKRF-GFCCVEGCSA-N 2 0 242.338 1.331 20 0 BDADRP C[C@@H]1C[C@@H](F)C[N@@H+]1CC1CC[NH2+]CC1 ZINC001207436545 968768071 /nfs/dbraw/zinc/76/80/71/968768071.db2.gz NNFDNBLDIDUYHT-MWLCHTKSSA-N 2 0 200.301 1.418 20 0 BDADRP C[C@@]1(F)CC[N@H+](CC2CC[NH2+]CC2)C[C@@H]1F ZINC001207436837 968768744 /nfs/dbraw/zinc/76/87/44/968768744.db2.gz RTPWFCCJGCCRGT-NWDGAFQWSA-N 2 0 232.318 1.758 20 0 BDADRP c1cncc(C2C[NH+](CC3CC[NH2+]CC3)C2)c1 ZINC001207439354 968773137 /nfs/dbraw/zinc/77/31/37/968773137.db2.gz OOEFHGDGEJOZKC-UHFFFAOYSA-N 2 0 231.343 1.480 20 0 BDADRP CCOC1C[NH+](CCC2CC[NH+](C)CC2)C1 ZINC001207479454 968795471 /nfs/dbraw/zinc/79/54/71/968795471.db2.gz JIAXIMGLNOODPO-UHFFFAOYSA-N 2 0 226.364 1.439 20 0 BDADRP CN1CC[C@@H]([N@H+](C)CCC2CC[NH+](C)CC2)C1 ZINC001207485215 968797883 /nfs/dbraw/zinc/79/78/83/968797883.db2.gz URVDWMYVYRJXKC-CQSZACIVSA-N 2 0 239.407 1.354 20 0 BDADRP COC[C@H]1CC[N@@H+]1CCC1CC[NH+](C)CC1 ZINC001207488867 968801358 /nfs/dbraw/zinc/80/13/58/968801358.db2.gz QZDSZJLRGPWHIQ-CYBMUJFWSA-N 2 0 226.364 1.439 20 0 BDADRP C[NH+](C)C[C@@]12C[C@@H]1CN(C[C@@H]1CCCO1)C2 ZINC001207894466 968916724 /nfs/dbraw/zinc/91/67/24/968916724.db2.gz MWNINHMEYUSDEW-FRRDWIJNSA-N 2 0 224.348 1.049 20 0 BDADRP CCC[C@H](O)C[NH+]1C[C@@H]2C[NH+](CC)C[C@H]2C1 ZINC001252785157 968962799 /nfs/dbraw/zinc/96/27/99/968962799.db2.gz AOPUMMPKOLAQEX-AVGNSLFASA-N 2 0 226.364 1.031 20 0 BDADRP CCC[C@@H](O)C[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001252789102 968964294 /nfs/dbraw/zinc/96/42/94/968964294.db2.gz HZPAJPZLLNIMQN-JHJVBQTASA-N 2 0 226.364 1.031 20 0 BDADRP CCC[C@@H](O)C[NH2+]CC12CC[NH+](CC1)CC2 ZINC001252804611 968991146 /nfs/dbraw/zinc/99/11/46/968991146.db2.gz RXKFGUUCXAVBMG-GFCCVEGCSA-N 2 0 226.364 1.223 20 0 BDADRP C[NH+]1CCC(C)(C[N@@H+]2CCC[C@H](O)C2)CC1 ZINC001208105246 969000074 /nfs/dbraw/zinc/00/00/74/969000074.db2.gz SPRDDERKGVBJQF-LBPRGKRZSA-N 2 0 226.364 1.175 20 0 BDADRP C[NH+]1CCC(C)(C[N@@H+]2CC[C@@]23CCOC3)CC1 ZINC001208110336 969009178 /nfs/dbraw/zinc/00/91/78/969009178.db2.gz AVIMJBFWTJUABV-AWEZNQCLSA-N 2 0 238.375 1.583 20 0 BDADRP CC[NH+](CC)C[C@H](O)CNc1cc(C)cc[nH+]1 ZINC001253174388 969097658 /nfs/dbraw/zinc/09/76/58/969097658.db2.gz NALHHWFTWZRSLN-GFCCVEGCSA-N 2 0 237.347 1.505 20 0 BDADRP CCC(CC)[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253383286 969146675 /nfs/dbraw/zinc/14/66/75/969146675.db2.gz DSINMPRSHQLYQL-NSHDSACASA-N 2 0 216.369 1.514 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH+]2CC[C@]3(CCOC3)C2)C1 ZINC001208605189 969156119 /nfs/dbraw/zinc/15/61/19/969156119.db2.gz ALVOHTUVMOTEEL-KBPBESRZSA-N 2 0 238.375 1.441 20 0 BDADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@H]1CCC(C)(C)C1 ZINC001253409133 969162068 /nfs/dbraw/zinc/16/20/68/969162068.db2.gz OUGSPFRVFDIVGX-RYUDHWBXSA-N 2 0 242.407 1.904 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH+]2C[C@H]3[C@H](CF)[C@H]3C2)C1 ZINC001208616839 969173065 /nfs/dbraw/zinc/17/30/65/969173065.db2.gz MIPFXUOMMZRTTN-ZDEQEGDKSA-N 2 0 226.339 1.476 20 0 BDADRP CC[N@@H+]1CCN(C[C@@H]2CCC[NH+](C)C2)[C@H](C)C1 ZINC001208612574 969173913 /nfs/dbraw/zinc/17/39/13/969173913.db2.gz CAIRXDUZWIAGQM-ZIAGYGMSSA-N 2 0 239.407 1.354 20 0 BDADRP CC(C)N(CCC[NH3+])c1ccc2c(n1)CC[NH2+]C2 ZINC001156118258 969192102 /nfs/dbraw/zinc/19/21/02/969192102.db2.gz AHYMTAHWGVINBY-UHFFFAOYSA-N 2 0 248.374 1.291 20 0 BDADRP Cc1cc(NC2=CC[N@H+](C)CC2)cc[nH+]1 ZINC001208720056 969204865 /nfs/dbraw/zinc/20/48/65/969204865.db2.gz XRZYWIQXXLPLBT-UHFFFAOYSA-N 2 0 203.289 1.443 20 0 BDADRP C[N@H+]1CC=C(Nc2cc[nH+]c3c2CCC3)CC1 ZINC001208742926 969231249 /nfs/dbraw/zinc/23/12/49/969231249.db2.gz YSZVUFPXUQXLLV-UHFFFAOYSA-N 2 0 229.327 1.624 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+](C[C@@H]1CCC=CO1)CC2 ZINC001208883355 969270963 /nfs/dbraw/zinc/27/09/63/969270963.db2.gz USSABGUYTNPTRV-ZDUSSCGKSA-N 2 0 236.359 1.707 20 0 BDADRP Cc1cnc(C[NH3+])n1-c1cc(C)[nH+]c(C)c1 ZINC001169028102 969347190 /nfs/dbraw/zinc/34/71/90/969347190.db2.gz IAKYJYOGVZGIHA-UHFFFAOYSA-N 2 0 216.288 1.651 20 0 BDADRP C[NH+](C)CCC[N@H+](C)CCCc1cccnc1 ZINC001209177389 969372184 /nfs/dbraw/zinc/37/21/84/969372184.db2.gz ORBCCZLFSOZQOO-UHFFFAOYSA-N 2 0 235.375 1.898 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCn1ccnc1)C2 ZINC001169081351 969404093 /nfs/dbraw/zinc/40/40/93/969404093.db2.gz RUXKPUSWIVDXCE-ZSOGYDGISA-N 2 0 248.374 1.488 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1ccncn1)C2 ZINC001169123099 969418068 /nfs/dbraw/zinc/41/80/68/969418068.db2.gz IZDLYRBLXYMBLT-ZSOGYDGISA-N 2 0 246.358 1.234 20 0 BDADRP COC1CC(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169122887 969418632 /nfs/dbraw/zinc/41/86/32/969418632.db2.gz FUZMYDKCPGOVGM-RUCXBIIGSA-N 2 0 238.375 1.626 20 0 BDADRP CCC[N@H+](CCOC)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169124857 969423298 /nfs/dbraw/zinc/42/32/98/969423298.db2.gz FQGUEHYDXAXUSC-BTTYYORXSA-N 2 0 240.391 1.970 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@](C)(CO)C1)C2 ZINC001169125411 969428193 /nfs/dbraw/zinc/42/81/93/969428193.db2.gz HZCMGCATGSANOX-CRWXNKLISA-N 2 0 238.375 1.316 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)C2 ZINC001169114088 969453834 /nfs/dbraw/zinc/45/38/34/969453834.db2.gz WQQMHYKTLKRCPD-FPYNETTCSA-N 2 0 238.375 1.361 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@@]13CCOC3)C2 ZINC001169153026 969461798 /nfs/dbraw/zinc/46/17/98/969461798.db2.gz GCUTUUTYDZNOKF-CRWXNKLISA-N 2 0 236.359 1.476 20 0 BDADRP COC[C@@H]1CC[N@@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169160095 969477805 /nfs/dbraw/zinc/47/78/05/969477805.db2.gz AUWLOQOHCSDFAB-QNWHQSFQSA-N 2 0 224.348 1.332 20 0 BDADRP CC[NH+]1CCC(n2nc(C[NH3+])cc2C)CC1 ZINC001169221804 969493715 /nfs/dbraw/zinc/49/37/15/969493715.db2.gz NBPOEBVBENFFOG-UHFFFAOYSA-N 2 0 222.336 1.307 20 0 BDADRP CC[NH+]1CCC(n2cc(CC[NH3+])cn2)CC1 ZINC001169230794 969502975 /nfs/dbraw/zinc/50/29/75/969502975.db2.gz IKISXJWSQAARRP-UHFFFAOYSA-N 2 0 222.336 1.041 20 0 BDADRP CC(C)([NH3+])C(C)(C)[NH2+][C@@H]1CCCOC1 ZINC001254369509 969581219 /nfs/dbraw/zinc/58/12/19/969581219.db2.gz IBBAVDAMHMJISB-SECBINFHSA-N 2 0 200.326 1.271 20 0 BDADRP CC(C)CN1CC[C@H]([NH2+][C@H]2CCCOC2)C1 ZINC001254371301 969585807 /nfs/dbraw/zinc/58/58/07/969585807.db2.gz GHDIXRLJJCECRT-STQMWFEESA-N 2 0 226.364 1.485 20 0 BDADRP CCC[C@H](CO)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001254504001 969667090 /nfs/dbraw/zinc/66/70/90/969667090.db2.gz QGJHOOUSAAIGOE-NWDGAFQWSA-N 2 0 214.353 1.221 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+]C[C@@H]2CC(C)(C)O2)CC1 ZINC001254503634 969668021 /nfs/dbraw/zinc/66/80/21/969668021.db2.gz NZKVZHFXDMWUCV-RYUDHWBXSA-N 2 0 226.364 1.628 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+]C(C)(C)C(C)(C)O)CC1 ZINC001254510784 969677376 /nfs/dbraw/zinc/67/73/76/969677376.db2.gz QLFIRPCUTPTNJV-NSHDSACASA-N 2 0 228.380 1.610 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2C[C@]23CCCOC3)CC1 ZINC001254511958 969684504 /nfs/dbraw/zinc/68/45/04/969684504.db2.gz HJSZXVAOFAWXHY-MJBXVCDLSA-N 2 0 238.375 1.629 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH+]2CCCC3(COC3)C2)CC1 ZINC001254520646 969696569 /nfs/dbraw/zinc/69/65/69/969696569.db2.gz OYVFBLYXDRKEGD-ZDUSSCGKSA-N 2 0 238.375 1.583 20 0 BDADRP C[NH+](C)C[C@@H]1CCCN1[C@H]1CCC[N@H+](C)CC1 ZINC001254523952 969709109 /nfs/dbraw/zinc/70/91/09/969709109.db2.gz SLSBYFMDAVICSL-KBPBESRZSA-N 2 0 239.407 1.497 20 0 BDADRP Cc1cc(N)[nH+]cc1Nc1cc[nH+]c(CO)c1 ZINC001209965233 969725994 /nfs/dbraw/zinc/72/59/94/969725994.db2.gz PLSYQEKRTGDJBR-UHFFFAOYSA-N 2 0 230.271 1.603 20 0 BDADRP C[N@H+]([C@@H]1CCCOC1)[C@@H]1CCC[NH+](C)CC1 ZINC001254533634 969727650 /nfs/dbraw/zinc/72/76/50/969727650.db2.gz NZTGRQCNSBOHIJ-CHWSQXEVSA-N 2 0 226.364 1.582 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH+]2CCC[C@H]2C(C)(C)O)CC1 ZINC001254529837 969729065 /nfs/dbraw/zinc/72/90/65/969729065.db2.gz RKWBQGLGVQHSEJ-STQMWFEESA-N 2 0 240.391 1.706 20 0 BDADRP Cc1cc(N(C)C)nc(NCC[C@H]2CCC[NH2+]2)[nH+]1 ZINC001169562379 969759336 /nfs/dbraw/zinc/75/93/36/969759336.db2.gz CPVXUILSUQPFCT-LLVKDONJSA-N 2 0 249.362 1.405 20 0 BDADRP [NH3+]CCc1cccn1[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254847101 969804051 /nfs/dbraw/zinc/80/40/51/969804051.db2.gz DCBJPRHFQNBEFV-CQSZACIVSA-N 2 0 233.359 1.646 20 0 BDADRP C[N@@H+]1CCCN([C@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254852599 969805961 /nfs/dbraw/zinc/80/59/61/969805961.db2.gz HOSKLVPWTINLPK-AWEZNQCLSA-N 2 0 237.391 1.108 20 0 BDADRP CN(CCC[NH+](C)C)[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254851974 969806404 /nfs/dbraw/zinc/80/64/04/969806404.db2.gz DKORIQPVHMMRCQ-CQSZACIVSA-N 2 0 239.407 1.354 20 0 BDADRP [NH3+]Cc1ccn(-c2cccc(C[NH3+])c2)c1 ZINC001169726582 969819108 /nfs/dbraw/zinc/81/91/08/969819108.db2.gz ZHRRPYSUDMOAIN-UHFFFAOYSA-N 2 0 201.273 1.395 20 0 BDADRP [NH3+]Cc1ccn(-c2c[nH+]cc3cc[nH]c32)c1 ZINC001169726345 969819986 /nfs/dbraw/zinc/81/99/86/969819986.db2.gz TVMWVBHKIULKHW-UHFFFAOYSA-N 2 0 212.256 1.812 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC(=O)C[C@@H]3C2)C1 ZINC001254916498 969820709 /nfs/dbraw/zinc/82/07/09/969820709.db2.gz ZNZJKGBEMFYDMU-FIQHERPVSA-N 2 0 236.359 1.604 20 0 BDADRP CC1([NH3+])CC[NH+](C2C[C@@H]3CC(=O)C[C@H]3C2)CC1 ZINC001254926797 969823675 /nfs/dbraw/zinc/82/36/75/969823675.db2.gz GVSRMJRUWBSQBK-GHMZBOCLSA-N 2 0 236.359 1.557 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCNC[C@H]1c1ccccc1 ZINC001210196527 969829616 /nfs/dbraw/zinc/82/96/16/969829616.db2.gz OMESFAQALRDXMD-AWEZNQCLSA-N 2 0 233.359 1.372 20 0 BDADRP [NH3+]CCCCCN1CC[NH2+]C[C@H]1c1ccccc1 ZINC001210197157 969829904 /nfs/dbraw/zinc/82/99/04/969829904.db2.gz XYXCUCWLFCEISO-HNNXBMFYSA-N 2 0 247.386 1.762 20 0 BDADRP C[N@H+](C1CC1)C1CC[NH+](C2CCOCC2)CC1 ZINC001255044324 969863659 /nfs/dbraw/zinc/86/36/59/969863659.db2.gz QPUQJXJRTZGNHU-UHFFFAOYSA-N 2 0 238.375 1.724 20 0 BDADRP CC[NH+]1CCC(N(C)C[C@@H]([NH3+])CC(F)F)CC1 ZINC000379796744 969899258 /nfs/dbraw/zinc/89/92/58/969899258.db2.gz LILADLHENVIBMK-JTQLQIEISA-N 2 0 249.349 1.385 20 0 BDADRP C[C@@H]1CN(c2[nH+]ccc3c2ccn3C)CC[NH2+]1 ZINC001156689003 969981529 /nfs/dbraw/zinc/98/15/29/969981529.db2.gz IECLEZJXYKXONO-SNVBAGLBSA-N 2 0 230.315 1.371 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+][C@H]2CCSC2)C1 ZINC001255267794 970016965 /nfs/dbraw/zinc/01/69/65/970016965.db2.gz RNEYXZANGSFHNR-AEJSXWLSSA-N 2 0 200.351 1.351 20 0 BDADRP CCC[N@H+](CCC[NH3+])[C@@H]1CCSC1 ZINC001255268304 970020680 /nfs/dbraw/zinc/02/06/80/970020680.db2.gz DKKLCOJMAXSYGT-SNVBAGLBSA-N 2 0 202.367 1.553 20 0 BDADRP Cc1cc2[nH+]ccn2cc1NC[C@H]1COCC[NH2+]1 ZINC001170042950 970064158 /nfs/dbraw/zinc/06/41/58/970064158.db2.gz GLVUHIHXLZIOOL-NSHDSACASA-N 2 0 246.314 1.043 20 0 BDADRP CN(c1ccc([C@H]2CCC[NH2+]2)cn1)C(C)(C)C[NH3+] ZINC001170052920 970092189 /nfs/dbraw/zinc/09/21/89/970092189.db2.gz MXPIWXWQEFHROC-GFCCVEGCSA-N 2 0 248.374 1.680 20 0 BDADRP CN(c1cccc(C[NH3+])c1)C(C)(C)C[NH3+] ZINC001170058736 970109281 /nfs/dbraw/zinc/10/92/81/970109281.db2.gz CVJCAMPUPWEJSL-UHFFFAOYSA-N 2 0 207.321 1.319 20 0 BDADRP CN(c1cccc2c1C[NH2+]CC2)C(C)(C)C[NH3+] ZINC001170059328 970110698 /nfs/dbraw/zinc/11/06/98/970110698.db2.gz GRFMUBOWRKUYIU-UHFFFAOYSA-N 2 0 233.359 1.506 20 0 BDADRP C[N@@H+]1CC[C@@H](n2cc3cc(C[NH3+])ccc3n2)C1 ZINC001255412601 970131345 /nfs/dbraw/zinc/13/13/45/970131345.db2.gz TUNKCCUXCZLTHW-GFCCVEGCSA-N 2 0 230.315 1.372 20 0 BDADRP CN1CC[C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)C1 ZINC001255412703 970132081 /nfs/dbraw/zinc/13/20/81/970132081.db2.gz UWOYQEBTQXKMEQ-CHWSQXEVSA-N 2 0 225.380 1.012 20 0 BDADRP CN1CC[C@@H]([NH2+][C@H]2CC[C@H]([NH+](C)C)CC2)C1 ZINC001255422634 970146336 /nfs/dbraw/zinc/14/63/36/970146336.db2.gz OZPVBGBZFHVQAI-JHJVBQTASA-N 2 0 225.380 1.153 20 0 BDADRP CN1CC[C@@H]([NH2+]CCCCCCC[NH3+])C1 ZINC001255423987 970150913 /nfs/dbraw/zinc/15/09/13/970150913.db2.gz PMBPYXYYAXDSAC-GFCCVEGCSA-N 2 0 213.369 1.189 20 0 BDADRP CC[NH+](CC)[C@H]1CCN([C@@H]2CC[N@H+](C)C2)C1 ZINC001255439034 970169509 /nfs/dbraw/zinc/16/95/09/970169509.db2.gz QCFHCBXYMUGWLN-OLZOCXBDSA-N 2 0 225.380 1.107 20 0 BDADRP C[N@@H+]1CCC[C@H](Nc2ccc(CC[NH3+])cc2)C1 ZINC001255467934 970194998 /nfs/dbraw/zinc/19/49/98/970194998.db2.gz LXWLUNARLSGQKE-AWEZNQCLSA-N 2 0 233.359 1.694 20 0 BDADRP C[N@@H+]1CCC[C@H](n2cccc2CC[NH3+])C1 ZINC001255473724 970207459 /nfs/dbraw/zinc/20/74/59/970207459.db2.gz XEOIQQQXABFNQL-LBPRGKRZSA-N 2 0 207.321 1.256 20 0 BDADRP CN1CCC[C@@H]([NH2+][C@H]2CC[C@@H]([NH+](C)C)CC2)C1 ZINC001255478370 970209838 /nfs/dbraw/zinc/20/98/38/970209838.db2.gz UUKXWMUXFBLKLU-MCIONIFRSA-N 2 0 239.407 1.543 20 0 BDADRP CC(C)N([C@@H]1CCC[N@H+](C)C1)C(C)(C)C[NH3+] ZINC001255479481 970210684 /nfs/dbraw/zinc/21/06/84/970210684.db2.gz IWNYAPWUKICSFV-GFCCVEGCSA-N 2 0 227.396 1.528 20 0 BDADRP CN(C1CC[NH+](C)CC1)[C@@H]1CCC[N@H+](C)C1 ZINC001255479287 970211151 /nfs/dbraw/zinc/21/11/51/970211151.db2.gz GDPKVKGKHNDCOY-CYBMUJFWSA-N 2 0 225.380 1.107 20 0 BDADRP COc1c[nH+]ccc1-n1c[nH+]c(C)c1N ZINC001211260471 970213477 /nfs/dbraw/zinc/21/34/77/970213477.db2.gz XZQULEIPHFZEFK-UHFFFAOYSA-N 2 0 204.233 1.167 20 0 BDADRP C[N@@H+]1[C@@H]2CC[C@H]1CN([C@@H]1CCC[NH+](C)C1)CC2 ZINC001255493164 970254381 /nfs/dbraw/zinc/25/43/81/970254381.db2.gz UUBIHSORWNPRGV-HZSPNIEDSA-N 2 0 237.391 1.249 20 0 BDADRP C[NH+](C)CCCOc1ccc(C2=CC[NH2+]C2)cn1 ZINC001243110323 970351917 /nfs/dbraw/zinc/35/19/17/970351917.db2.gz DDLOCSVXUDWAKW-UHFFFAOYSA-N 2 0 247.342 1.399 20 0 BDADRP Nc1cc[nH+]c2cc(C3=CC[NH2+]C3)ccc12 ZINC001243111498 970357183 /nfs/dbraw/zinc/35/71/83/970357183.db2.gz PNHAAEFQVANYNV-UHFFFAOYSA-N 2 0 211.268 1.804 20 0 BDADRP COC[C@H](C)[N@@H+]1C[C@@H]2CCCN(C)[C@@H]2C1 ZINC001255582991 970388664 /nfs/dbraw/zinc/38/86/64/970388664.db2.gz GMXSDQIUXLMDHH-SDDRHHMPSA-N 2 0 212.337 1.047 20 0 BDADRP CC(C)[NH+]1CC(Nc2ccc3c(n2)CC[NH2+]C3)C1 ZINC001157526335 970410681 /nfs/dbraw/zinc/41/06/81/970410681.db2.gz QRFGSICHAJEWBO-UHFFFAOYSA-N 2 0 246.358 1.232 20 0 BDADRP C[C@@H]1CC[C@H]([N@H+](C)CCN2CC[NH+](C)CC2)C1 ZINC001170151702 970457079 /nfs/dbraw/zinc/45/70/79/970457079.db2.gz RQWIVSVMXOAUJZ-KGLIPLIRSA-N 2 0 239.407 1.354 20 0 BDADRP [NH3+]CC1CC[NH+](C[C@@H](O)Cc2ccccc2)CC1 ZINC000204072688 970511728 /nfs/dbraw/zinc/51/17/28/970511728.db2.gz ZJWSOMFZWUZJPA-HNNXBMFYSA-N 2 0 248.370 1.261 20 0 BDADRP CCC[N@H+]1C[C@H]2CN(c3cccc(N)[nH+]3)C[C@H]2C1 ZINC001157691002 970539373 /nfs/dbraw/zinc/53/93/73/970539373.db2.gz NJMUDCSBIUSERN-TXEJJXNPSA-N 2 0 246.358 1.442 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]C[C@H](C)C[NH3+])CCO1 ZINC001170182173 970561794 /nfs/dbraw/zinc/56/17/94/970561794.db2.gz MNUILGSSIMFKAL-OUAUKWLOSA-N 2 0 200.326 1.128 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]CCCC(=O)OC ZINC001255940779 970564375 /nfs/dbraw/zinc/56/43/75/970564375.db2.gz GKAAJSOSOMAJRY-LBPRGKRZSA-N 2 0 244.379 1.650 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@]1(C)C[C@H](O)C1 ZINC001255944878 970564684 /nfs/dbraw/zinc/56/46/84/970564684.db2.gz HRZDUAQTSWRJNU-JHJVBQTASA-N 2 0 228.380 1.610 20 0 BDADRP CCOC(=O)CC[NH2+][C@@H](C)CC[NH+](CC)CC ZINC001255940939 970571124 /nfs/dbraw/zinc/57/11/24/970571124.db2.gz JJWUDQJANHFGDP-LBPRGKRZSA-N 2 0 244.379 1.650 20 0 BDADRP C[C@@H]([NH2+]CCCCCCO)[C@H]1CCC[NH2+]1 ZINC000400360363 970581307 /nfs/dbraw/zinc/58/13/07/970581307.db2.gz CXNLCCWEVQWCGS-VXGBXAGGSA-N 2 0 214.353 1.269 20 0 BDADRP C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)C1CC[NH2+]CC1 ZINC000400324397 970577470 /nfs/dbraw/zinc/57/74/70/970577470.db2.gz AZKOAMVTIMPBQM-UZWSLXQKSA-N 2 0 226.364 1.530 20 0 BDADRP Cc1ncsc1C[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000400330587 970579272 /nfs/dbraw/zinc/57/92/72/970579272.db2.gz DMUNBTPOKHNOOH-SECBINFHSA-N 2 0 239.388 1.929 20 0 BDADRP Cc1csc(C[NH2+][C@@H](C)C2CC[NH2+]CC2)n1 ZINC000400439545 970589214 /nfs/dbraw/zinc/58/92/14/970589214.db2.gz MCZVVPKEXDPPCE-JTQLQIEISA-N 2 0 239.388 1.929 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCCOC1)C1CC[NH2+]CC1 ZINC000400475812 970593247 /nfs/dbraw/zinc/59/32/47/970593247.db2.gz ZQRSTEFXMBXLKN-RYUDHWBXSA-N 2 0 226.364 1.391 20 0 BDADRP C[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)[NH+]1CCCCC1 ZINC000400559326 970604816 /nfs/dbraw/zinc/60/48/16/970604816.db2.gz HHVFZHVXUMJGRW-HZSPNIEDSA-N 2 0 239.407 1.591 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N1CC[N@@H+]2CC[C@H]2C1 ZINC001255969189 970609309 /nfs/dbraw/zinc/60/93/09/970609309.db2.gz VADOQSIBELEFPO-KGLIPLIRSA-N 2 0 239.407 1.497 20 0 BDADRP C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)[C@H]1CCOC1 ZINC000400630622 970611836 /nfs/dbraw/zinc/61/18/36/970611836.db2.gz GMTKRPNZYUMFKP-GVXVVHGQSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)[C@@H]1CCOC1 ZINC000400630615 970612876 /nfs/dbraw/zinc/61/28/76/970612876.db2.gz GMTKRPNZYUMFKP-GMXVVIOVSA-N 2 0 226.364 1.389 20 0 BDADRP c1cc(CNC2CC[NH+](C3CC3)CC2)cnn1 ZINC001256067004 970632617 /nfs/dbraw/zinc/63/26/17/970632617.db2.gz DFBDWUMAPBZCMU-UHFFFAOYSA-N 2 0 232.331 1.193 20 0 BDADRP C[NH+](C)[C@H]1CCN(C2CC[NH+](C3CC3)CC2)C1 ZINC001256072771 970638358 /nfs/dbraw/zinc/63/83/58/970638358.db2.gz HNEUMKVFPRYTGV-AWEZNQCLSA-N 2 0 237.391 1.249 20 0 BDADRP C[N@H+]1C[C@@H]2C[NH+](C3CCN(C4CC4)CC3)C[C@@H]2C1 ZINC001256079405 970645510 /nfs/dbraw/zinc/64/55/10/970645510.db2.gz JSWGWWRLEPXBSP-BETUJISGSA-N 2 0 249.402 1.107 20 0 BDADRP CC(C)C[C@H](O)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400954791 970647769 /nfs/dbraw/zinc/64/77/69/970647769.db2.gz IYTPJYBLAHWZGF-FQUUOJAGSA-N 2 0 240.391 1.371 20 0 BDADRP C1CC1[NH+]1CCC([NH+]2CC3CC(C3)C2)CC1 ZINC001256082147 970647992 /nfs/dbraw/zinc/64/79/92/970647992.db2.gz UHELNJRAQCDOPE-UHFFFAOYSA-N 2 0 220.360 1.955 20 0 BDADRP CCC(=O)Nc1cc(NCC2C[NH+](C)C2)cc[nH+]1 ZINC001170259293 970649431 /nfs/dbraw/zinc/64/94/31/970649431.db2.gz UJTMXWOUMNHFFG-UHFFFAOYSA-N 2 0 248.330 1.404 20 0 BDADRP c1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)no1 ZINC000400988456 970651668 /nfs/dbraw/zinc/65/16/68/970651668.db2.gz WQWWYFBAHHWWLV-GARJFASQSA-N 2 0 221.304 1.152 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ncc[nH]1 ZINC000401118618 970658623 /nfs/dbraw/zinc/65/86/23/970658623.db2.gz IWIDAJDCWBMVNC-WHOHXGKFSA-N 2 0 234.347 1.448 20 0 BDADRP CC[N@@H+]1CCN(C2CC[NH+](C)CC2)C[C@H]1C ZINC001256214267 970716477 /nfs/dbraw/zinc/71/64/77/970716477.db2.gz GRWPYTCUEQPLRW-GFCCVEGCSA-N 2 0 225.380 1.107 20 0 BDADRP [NH3+]CC1(F)CC[NH+](Cc2cncs2)CC1 ZINC001222532107 972547718 /nfs/dbraw/zinc/54/77/18/972547718.db2.gz KAEGCSOUQRHSTK-UHFFFAOYSA-N 2 0 229.324 1.406 20 0 BDADRP Cc1cc(C)c(C[NH+]2CCC(F)(C[NH3+])CC2)[nH]1 ZINC001222531585 972548973 /nfs/dbraw/zinc/54/89/73/972548973.db2.gz DNJVNJHDIPNEHF-UHFFFAOYSA-N 2 0 239.338 1.894 20 0 BDADRP CC[C@@H]1C[C@H](N2CCC[C@@H]([NH3+])CC2)CC[NH2+]1 ZINC001246548070 972678523 /nfs/dbraw/zinc/67/85/23/972678523.db2.gz QOTPZVITMYTQLG-JHJVBQTASA-N 2 0 225.380 1.330 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[C@@H]([NH3+])CC1)C2 ZINC001246550965 972726195 /nfs/dbraw/zinc/72/61/95/972726195.db2.gz ZMWNKTIDFVDZFG-YIYPIFLZSA-N 2 0 237.391 1.425 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@](O)(CF)CC2)CC[NH2+]1 ZINC001246568170 972823011 /nfs/dbraw/zinc/82/30/11/972823011.db2.gz MDANXLFNXZTQNH-FRRDWIJNSA-N 2 0 244.354 1.313 20 0 BDADRP Cn1ccc2c1[nH+]ccc2NCC(C)(C)[NH3+] ZINC001171193555 972844193 /nfs/dbraw/zinc/84/41/93/972844193.db2.gz AHEXIXGJWUUUSM-UHFFFAOYSA-N 2 0 218.304 1.723 20 0 BDADRP [NH3+]C[C@@H]1CCCCN([C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246592581 972994915 /nfs/dbraw/zinc/99/49/15/972994915.db2.gz KOEIVQJJRLZAJY-IGQOVBAYSA-N 2 0 237.391 1.330 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC[NH2+]CC2)CCC[C@@]1(C)O ZINC001246590317 972996533 /nfs/dbraw/zinc/99/65/33/972996533.db2.gz JCRLEPLEGDCBOX-DGCLKSJQSA-N 2 0 226.364 1.221 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2CC[NH2+]C[C@H](F)C2)CC[NH2+]1 ZINC001246598871 973021198 /nfs/dbraw/zinc/02/11/98/973021198.db2.gz OXLCUHZLRTUWQC-XQQFMLRXSA-N 2 0 243.370 1.006 20 0 BDADRP C[NH2+]CC[C@@H](C)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001246609295 973032799 /nfs/dbraw/zinc/03/27/99/973032799.db2.gz MDEYIGRBUHEFTA-OLZOCXBDSA-N 2 0 225.380 1.060 20 0 BDADRP CC[C@@H]1C[C@H](N2CC3(C[NH2+]C3)C2)C[C@H](CC)[NH2+]1 ZINC001246615284 973037000 /nfs/dbraw/zinc/03/70/00/973037000.db2.gz SACDYEMLLCHWOS-ITGUQSILSA-N 2 0 237.391 1.201 20 0 BDADRP C[N@H+](CCc1ccc(F)cc1F)C1CC([NH3+])C1 ZINC001328412265 973037174 /nfs/dbraw/zinc/03/71/74/973037174.db2.gz HYIMNGQJHTWLTM-UHFFFAOYSA-N 2 0 240.297 1.929 20 0 BDADRP C[C@H]1C[C@H]([N@@H+]2CCC3(C2)CC[NH2+]CC3)CC[NH2+]1 ZINC001246636040 973050186 /nfs/dbraw/zinc/05/01/86/973050186.db2.gz BPTRJDPOXZJPNK-QWHCGFSZSA-N 3 0 237.391 1.202 20 0 BDADRP C1C[C@@H]2[C@@H](CCN2[C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)[NH2+]1 ZINC001246640336 973058248 /nfs/dbraw/zinc/05/82/48/973058248.db2.gz SOUAVOUEAQXYJW-MBJXGIAVSA-N 2 0 235.375 1.096 20 0 BDADRP C1[NH2+][C@H]2CCCN([C@@H]3CCC4(C3)CC[NH2+]CC4)[C@H]12 ZINC001246664546 973073376 /nfs/dbraw/zinc/07/33/76/973073376.db2.gz RYRLRBYOSPXONG-HZSPNIEDSA-N 2 0 249.402 1.345 20 0 BDADRP C1[NH2+][C@H]2CCCN([C@@H]3CCC4(C3)CC[NH2+]CC4)[C@@H]12 ZINC001246664556 973076131 /nfs/dbraw/zinc/07/61/31/973076131.db2.gz RYRLRBYOSPXONG-RDBSUJKOSA-N 2 0 249.402 1.345 20 0 BDADRP CC[C@@H]1C[C@H](N2C[C@H]3CCC[C@@]3([NH3+])C2)CC[NH2+]1 ZINC001246668613 973077404 /nfs/dbraw/zinc/07/74/04/973077404.db2.gz ZVNYGVMBQLWPFF-AAVRWANBSA-N 2 0 237.391 1.330 20 0 BDADRP C[C@@H]1CCC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)[C@@H]1C ZINC001246792858 973093759 /nfs/dbraw/zinc/09/37/59/973093759.db2.gz YCNNJAIQJBYUOD-UPJWGTAASA-N 2 0 237.391 1.201 20 0 BDADRP CN([C@@H]1CC[NH2+]C1)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246794866 973098098 /nfs/dbraw/zinc/09/80/98/973098098.db2.gz CDJPIFVRVXMBNR-YNEHKIRRSA-N 2 0 239.407 1.447 20 0 BDADRP CC[C@@H]1CC(N(C)[C@@H]2CC[NH2+]C2)C[C@@H](CC)[NH2+]1 ZINC001246803032 973099813 /nfs/dbraw/zinc/09/98/13/973099813.db2.gz LZORWBSFRSNQEK-JHJVBQTASA-N 2 0 239.407 1.589 20 0 BDADRP C[C@@H]1CC[C@@H](N2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)C[NH2+]1 ZINC001246810496 973114190 /nfs/dbraw/zinc/11/41/90/973114190.db2.gz WZCYFCKQILXWKC-UJPOAAIJSA-N 2 0 223.364 1.081 20 0 BDADRP CC[C@@H]1C[C@H](N2C[C@@H]([NH3+])[C@@H](F)C2)C[C@H](CC)[NH2+]1 ZINC001246821611 973122899 /nfs/dbraw/zinc/12/28/99/973122899.db2.gz SYSWMJVBUCOKQH-CKIKVBCHSA-N 2 0 243.370 1.277 20 0 BDADRP C1CC12C[N@@H+]([C@@H]1CCC3(C1)CC[NH2+]CC3)CCN2 ZINC001246835520 973131908 /nfs/dbraw/zinc/13/19/08/973131908.db2.gz UDUHHASGRDTDRB-CYBMUJFWSA-N 2 0 249.402 1.347 20 0 BDADRP C[C@H]1CC[C@@H](N2CCC3(CCO3)CC2)C[NH2+]1 ZINC001246832860 973132882 /nfs/dbraw/zinc/13/28/82/973132882.db2.gz CKMDFUORHBSALQ-NWDGAFQWSA-N 2 0 224.348 1.382 20 0 BDADRP c1cn([C@H]2CCC[NH2+]C2)c([C@H]2CCC[NH2+]C2)n1 ZINC001246849754 973153123 /nfs/dbraw/zinc/15/31/23/973153123.db2.gz RWFILFDKAPTDKG-RYUDHWBXSA-N 2 0 234.347 1.275 20 0 BDADRP [NH3+][C@]12CC[C@@H]1C[N@@H+]([C@H]1CCc3ncsc3C1)C2 ZINC001246851275 973153988 /nfs/dbraw/zinc/15/39/88/973153988.db2.gz FBWJRAYDEHXMSH-NRUUGDAUSA-N 2 0 249.383 1.424 20 0 BDADRP CCN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCC[NH2+]C1 ZINC001246853902 973158335 /nfs/dbraw/zinc/15/83/35/973158335.db2.gz MGQRPNOKVDGJNA-RBKKPWLPSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)C[C@H](C)O1 ZINC001246858654 973168754 /nfs/dbraw/zinc/16/87/54/973168754.db2.gz GNHJFQYOKFZUQV-PPCPHDFISA-N 2 0 224.348 1.366 20 0 BDADRP [NH3+][C@]12CC[C@@H]1C[N@@H+](C1CCSCC1)C2 ZINC001246865292 973202661 /nfs/dbraw/zinc/20/26/61/973202661.db2.gz ZFUQINYPPRRZGC-KOLCDFICSA-N 2 0 212.362 1.305 20 0 BDADRP C[NH+]1CC2(C1)CCN(C1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC001246877577 973275546 /nfs/dbraw/zinc/27/55/46/973275546.db2.gz VYJBHTQNGSNUDC-PBWFPOADSA-N 2 0 249.402 1.297 20 0 BDADRP CCCC[C@H]1C[C@@H](N2CCC[C@@H]2C[NH3+])CC[NH2+]1 ZINC001246907625 973403390 /nfs/dbraw/zinc/40/33/90/973403390.db2.gz FZRQYBUYNZKMPC-MELADBBJSA-N 2 0 239.407 1.720 20 0 BDADRP CC[C@@H]1CC(N2C[C@@H]3C[NH2+]C[C@@H]32)C[C@@H](CC)[NH2+]1 ZINC001246921970 973495433 /nfs/dbraw/zinc/49/54/33/973495433.db2.gz TWRBDKIIVXEAEG-SFTQSGBHSA-N 2 0 237.391 1.199 20 0 BDADRP C[C@@H]1C[C@H]([N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CC[NH2+]1 ZINC001246930182 973578284 /nfs/dbraw/zinc/57/82/84/973578284.db2.gz IHYAETYTUINMQG-YIYPIFLZSA-N 2 0 237.391 1.058 20 0 BDADRP C[C@@H]1C[C@@H]([N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CC[NH2+]1 ZINC001246930180 973581073 /nfs/dbraw/zinc/58/10/73/973581073.db2.gz IHYAETYTUINMQG-MQYQWHSLSA-N 2 0 237.391 1.058 20 0 BDADRP CC[N@@H+]1CCC[C@H](OCC2CC[NH+](C)CC2)C1 ZINC001224452964 973658705 /nfs/dbraw/zinc/65/87/05/973658705.db2.gz IEXMNRSXYXNZDL-AWEZNQCLSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@@H]1CN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@@H](C)[NH2+]1 ZINC001246962153 973671161 /nfs/dbraw/zinc/67/11/61/973671161.db2.gz CXUFJMBTGHNERQ-XGFWRYKXSA-N 2 0 237.391 1.294 20 0 BDADRP CC[NH+]1C[C@@H]2C[NH+]([C@H]3CC[NH2+][C@H](C)C3)C[C@H]2C1 ZINC001246980690 973729596 /nfs/dbraw/zinc/72/95/96/973729596.db2.gz RQUDCGUBTPFJRG-SYQHCUMBSA-N 3 0 237.391 1.010 20 0 BDADRP CC(C)COCC[C@H](C)[N@H+](C)C[C@H](C)[NH3+] ZINC001246981947 973750644 /nfs/dbraw/zinc/75/06/44/973750644.db2.gz UYWWHBIPHDBKSJ-RYUDHWBXSA-N 2 0 216.369 1.717 20 0 BDADRP C1=C2[NH2+]CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@H]2CCC1 ZINC001246991243 973769652 /nfs/dbraw/zinc/76/96/52/973769652.db2.gz AAEIRGVWTFNPJV-YOOVYSLHSA-N 2 0 247.386 1.611 20 0 BDADRP C1=C2[NH2+]CCN([C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@@H]2CCC1 ZINC001246991223 973770683 /nfs/dbraw/zinc/77/06/83/973770683.db2.gz AAEIRGVWTFNPJV-UKTARXLSSA-N 2 0 247.386 1.611 20 0 BDADRP [NH3+]Cc1ccc2cn(-c3cc[nH+]cc3)nc2c1 ZINC001171315246 973771898 /nfs/dbraw/zinc/77/18/98/973771898.db2.gz OEYXOYSIJCSSSK-UHFFFAOYSA-N 2 0 224.267 1.879 20 0 BDADRP C[C@@H]1CC[C@H](N2CC[C@@H]3[NH2+]CCC[C@H]3C2)C[NH2+]1 ZINC001247014159 973795797 /nfs/dbraw/zinc/79/57/97/973795797.db2.gz JERNTOWANZZBLM-RFGFWPKPSA-N 2 0 237.391 1.201 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]([NH3+])C1CCCCC1 ZINC001329518646 973811007 /nfs/dbraw/zinc/81/10/07/973811007.db2.gz ADBBLWGHGQGEFI-NHCYSSNCSA-N 2 0 241.379 1.136 20 0 BDADRP CC[N@@H+]1CC[C@H](OC[C@H]2CCCC[NH+]2C)C1 ZINC001224701892 973865309 /nfs/dbraw/zinc/86/53/09/973865309.db2.gz JBKBGANDWHEWBW-OLZOCXBDSA-N 2 0 226.364 1.582 20 0 BDADRP C[N@@H+]1CCC[C@H]1COC1CC[NH+](C2CC2)CC1 ZINC001224817232 973989141 /nfs/dbraw/zinc/98/91/41/973989141.db2.gz JZKVMBNHIYSFQE-ZDUSSCGKSA-N 2 0 238.375 1.724 20 0 BDADRP CC[NH+](CC)CCO[C@@H](C)C[NH+](C)C ZINC001224927582 974074860 /nfs/dbraw/zinc/07/48/60/974074860.db2.gz IEYWADFQSHLQCB-NSHDSACASA-N 2 0 202.342 1.295 20 0 BDADRP C[C@@H](O)[C@@H](C)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001171554451 974098744 /nfs/dbraw/zinc/09/87/44/974098744.db2.gz HQABXWHPJAEYAI-CHWSQXEVSA-N 2 0 249.358 1.363 20 0 BDADRP C[NH+]1C(C)(C)CC([NH2+]C[C@H](O)CF)CC1(C)C ZINC001171630285 974109007 /nfs/dbraw/zinc/10/90/07/974109007.db2.gz LCXUWKGCLBOXDB-LLVKDONJSA-N 2 0 246.370 1.558 20 0 BDADRP C[C@H]1C[C@H](NC=[NH2+])C[N@@H+]1Cc1ccccc1 ZINC001171725999 974142101 /nfs/dbraw/zinc/14/21/01/974142101.db2.gz REHHBMWYLDEBIP-AAEUAGOBSA-N 2 0 217.316 1.846 20 0 BDADRP CC[NH+]1CCC(n2ncc3c2CC[NH2+]C3)CC1 ZINC000257973979 974207579 /nfs/dbraw/zinc/20/75/79/974207579.db2.gz JPFVSXGTRFWMCL-UHFFFAOYSA-N 2 0 234.347 1.186 20 0 BDADRP C[C@H](C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1)C(F)(F)F ZINC001206152772 974231786 /nfs/dbraw/zinc/23/17/86/974231786.db2.gz ARVNSVNSRHGJGT-VGMNWLOBSA-N 2 0 242.260 1.946 20 0 BDADRP Cn1cccc1CN1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206156895 974332635 /nfs/dbraw/zinc/33/26/35/974332635.db2.gz UBCRXLLWBYSJSK-NEPJUHHUSA-N 2 0 225.311 1.286 20 0 BDADRP COCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172099094 974337138 /nfs/dbraw/zinc/33/71/38/974337138.db2.gz FFXMQZAUIAIFLW-ZSBIGDGJSA-N 2 0 212.337 1.238 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC[C@H]1C[NH3+])C2 ZINC001172104820 974364204 /nfs/dbraw/zinc/36/42/04/974364204.db2.gz GIVREJKUDPJGCR-CRWXNKLISA-N 2 0 237.391 1.425 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC[C@H]([NH3+])C1)C2 ZINC001172107940 974366439 /nfs/dbraw/zinc/36/64/39/974366439.db2.gz LZODCYMUYVRLNO-IGQOVBAYSA-N 2 0 237.391 1.425 20 0 BDADRP CCC1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)COC1 ZINC001172108171 974370299 /nfs/dbraw/zinc/37/02/99/974370299.db2.gz QVNDUHKMWPJDRG-CLLJXQQHSA-N 2 0 238.375 1.770 20 0 BDADRP CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1C[C@@H](O)C1)C2 ZINC001172108691 974376845 /nfs/dbraw/zinc/37/68/45/974376845.db2.gz YCRQBKUJOBNRKY-WOPNUFJOSA-N 2 0 224.348 1.115 20 0 BDADRP C(C[NH2+]C1C[C@H]2CC[C@@H](C1)O2)C[NH+]1CCCC1 ZINC001172217971 974444821 /nfs/dbraw/zinc/44/48/21/974444821.db2.gz UHYLIIKQEJSFBX-AGUYFDCRSA-N 2 0 238.375 1.772 20 0 BDADRP CC(C)([NH3+])C(C)(C)[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172222559 974455363 /nfs/dbraw/zinc/45/53/63/974455363.db2.gz FJFHYVXZUZQBMK-FGWVZKOKSA-N 2 0 226.364 1.802 20 0 BDADRP [NH3+][C@@H]1CC[N@H+](Cc2ncccc2O)CC[C@H]1F ZINC001206163488 974489436 /nfs/dbraw/zinc/48/94/36/974489436.db2.gz CNPPSPRFOBONTI-NXEZZACHSA-N 2 0 239.294 1.048 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](C3C[C@@H]4C=C[C@H](C3)O4)C[C@@H]2C1 ZINC001172238683 974498039 /nfs/dbraw/zinc/49/80/39/974498039.db2.gz YSCJVDPWPIYXIF-WQGXVZNYSA-N 2 0 248.370 1.356 20 0 BDADRP C[NH2+][C@@H](C)CCNC(=O)C(C)(C)[C@H]([NH3+])C(C)C ZINC001330880051 974518899 /nfs/dbraw/zinc/51/88/99/974518899.db2.gz OQUASRNSROKMGR-WDEREUQCSA-N 2 0 243.395 1.110 20 0 BDADRP C[N@@H+]1CC[C@@H](Oc2ccc(CC(=[NH2+])NO)cc2)C1 ZINC001225544962 974548947 /nfs/dbraw/zinc/54/89/47/974548947.db2.gz ZGZSKJFPGILSCD-GFCCVEGCSA-N 2 0 249.314 1.268 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+]([C@@H]1COC(C)(C)C1)CC2 ZINC001172290143 974557387 /nfs/dbraw/zinc/55/73/87/974557387.db2.gz AVEKISCSZZPYHO-LBPRGKRZSA-N 2 0 238.375 1.582 20 0 BDADRP CCOCC[C@@H](C)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001172410968 974676517 /nfs/dbraw/zinc/67/65/17/974676517.db2.gz MPRKSEMGIMEZJO-CHWSQXEVSA-N 2 0 228.380 1.875 20 0 BDADRP CCOCC[C@@H](C)N1CCC[C@H]([NH3+])C1 ZINC001172412588 974678226 /nfs/dbraw/zinc/67/82/26/974678226.db2.gz ZFOOMLLWZJTGNO-MNOVXSKESA-N 2 0 200.326 1.225 20 0 BDADRP CC(C)([NH3+])CCNC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC001331392944 974705572 /nfs/dbraw/zinc/70/55/72/974705572.db2.gz NHGWRGLGNGEGJL-MFKMUULPSA-N 2 0 241.379 1.138 20 0 BDADRP CC[C@H](CC(C)C)[NH+]1CCN(CC[NH3+])CC1 ZINC001172388902 974736521 /nfs/dbraw/zinc/73/65/21/974736521.db2.gz IZKABCUCWFSZTR-CYBMUJFWSA-N 2 0 227.396 1.387 20 0 BDADRP CC[C@H](CC(C)C)[NH2+]CCN(C)CC[NH3+] ZINC001172393254 974744746 /nfs/dbraw/zinc/74/47/46/974744746.db2.gz JLBSSFCKDPMXBK-GFCCVEGCSA-N 2 0 215.385 1.291 20 0 BDADRP CC[C@@H](CC(C)C)[NH2+]C[C@H](C[NH3+])C(=O)OC ZINC001172395798 974751330 /nfs/dbraw/zinc/75/13/30/974751330.db2.gz PRAYOXKHTAYIOF-QWRGUYRKSA-N 2 0 230.352 1.149 20 0 BDADRP CC(C)COCC[C@@H](C)N1CCC[C@@H]([NH3+])C1 ZINC001172459161 974824451 /nfs/dbraw/zinc/82/44/51/974824451.db2.gz FRCUDRDADHTHKB-CHWSQXEVSA-N 2 0 228.380 1.861 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC001331835292 974829875 /nfs/dbraw/zinc/82/98/75/974829875.db2.gz QIAAZQZTPFYPFG-IJLUTSLNSA-N 2 0 214.353 1.389 20 0 BDADRP CC(C)COCC[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC001172468228 974830546 /nfs/dbraw/zinc/83/05/46/974830546.db2.gz NYLRMHDQUVWJTC-FRRDWIJNSA-N 2 0 228.380 1.907 20 0 BDADRP C[C@@H]([NH3+])CCC(=O)N(C)C1(C[NH3+])CCCCC1 ZINC001332034230 974927197 /nfs/dbraw/zinc/92/71/97/974927197.db2.gz CVKNBRNPKYQONR-LLVKDONJSA-N 2 0 241.379 1.234 20 0 BDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC(C)(C)[NH3+] ZINC001332054461 974936855 /nfs/dbraw/zinc/93/68/55/974936855.db2.gz HUIYBAICSVRSJX-GHMZBOCLSA-N 2 0 241.379 1.103 20 0 BDADRP CC[NH+](CC)C1CCC([NH2+]CC[C@H](C)O)CC1 ZINC001173106620 975026645 /nfs/dbraw/zinc/02/66/45/975026645.db2.gz CVBXGLQZVUZHQA-HSBZDZAISA-N 2 0 242.407 2.000 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+](C)C2)CCO1 ZINC001173168627 975059434 /nfs/dbraw/zinc/05/94/34/975059434.db2.gz RGZUYSPEHSGQBW-TUAOUCFPSA-N 2 0 212.337 1.095 20 0 BDADRP CC[C@H]1CC[C@H]([NH2+]CCC[N@H+](C)CCO)C1 ZINC001173275059 975156055 /nfs/dbraw/zinc/15/60/55/975156055.db2.gz LHACSQGTQWETAJ-STQMWFEESA-N 2 0 228.380 1.469 20 0 BDADRP CC[N@@H+]1CC[C@H](n2c3ccccc3nc2C[NH3+])C1 ZINC001173348876 975291347 /nfs/dbraw/zinc/29/13/47/975291347.db2.gz UWAWXGKSAABSRX-NSHDSACASA-N 2 0 244.342 1.762 20 0 BDADRP CC[N@@H+]1CC[C@@H](n2cc3cc(C[NH3+])ccc3n2)C1 ZINC001173352646 975298419 /nfs/dbraw/zinc/29/84/19/975298419.db2.gz SYABDVMDCZQDOY-CYBMUJFWSA-N 2 0 244.342 1.762 20 0 BDADRP CCC[NH2+]CCN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC001332875333 975304695 /nfs/dbraw/zinc/30/46/95/975304695.db2.gz APEDOFRZSBHSBI-NWDGAFQWSA-N 2 0 227.396 1.482 20 0 BDADRP CC[N@@H+]1CC[C@H](N2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001173362969 975335807 /nfs/dbraw/zinc/33/58/07/975335807.db2.gz KLSBEZLUVPXINK-OLZOCXBDSA-N 2 0 225.380 1.107 20 0 BDADRP CC[N@@H+]1CC[C@H](N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC001173365384 975347243 /nfs/dbraw/zinc/34/72/43/975347243.db2.gz HBNXIGZQWGJPPF-UONOGXRCSA-N 2 0 237.391 1.251 20 0 BDADRP CCN1CC[C@H]([N@H+]2C[C@H]3[C@H](C2)CCCN3C)C1 ZINC001173366728 975350387 /nfs/dbraw/zinc/35/03/87/975350387.db2.gz BJNDDSFNIKZKRU-IHRRRGAJSA-N 2 0 237.391 1.107 20 0 BDADRP CC[N@@H+]1CC[C@@H](N2CC[C@H]([NH+](C)C(C)C)C2)C1 ZINC001173366585 975351679 /nfs/dbraw/zinc/35/16/79/975351679.db2.gz ARZVHZAHHIVACX-UONOGXRCSA-N 2 0 239.407 1.495 20 0 BDADRP COC(=O)CCCC[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC001173448699 975389699 /nfs/dbraw/zinc/38/96/99/975389699.db2.gz MXNZGTNKOXBRCX-GRYCIOLGSA-N 2 0 242.363 1.578 20 0 BDADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@H]3CCCC[C@H]3C2)C1 ZINC001333528897 975831814 /nfs/dbraw/zinc/83/18/14/975831814.db2.gz IJPFJOAOXPKNNF-QMVSFRDZSA-N 2 0 238.375 1.349 20 0 BDADRP [NH3+]CCCC[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC001334391808 976488611 /nfs/dbraw/zinc/48/86/11/976488611.db2.gz ZVJOTBDXCOVTQD-CQSZACIVSA-N 3 0 235.375 1.795 20 0 BDADRP C[NH+](C)Cc1ccccc1O[C@@H]1CC[N@H+](C)C1 ZINC001229700089 976948534 /nfs/dbraw/zinc/94/85/34/976948534.db2.gz VTINNBTVBGVRBN-CYBMUJFWSA-N 2 0 234.343 1.831 20 0 BDADRP COc1ccc(CC[NH2+][C@@H](C)C[C@H](C)[NH3+])cn1 ZINC001335380386 977011242 /nfs/dbraw/zinc/01/12/42/977011242.db2.gz FRJMKPQPZVYSLV-QWRGUYRKSA-N 2 0 237.347 1.348 20 0 BDADRP C[N@H+]1CC[C@H]2C[NH+](CCn3ccnc3)C[C@H]2CC1 ZINC001277544673 977651632 /nfs/dbraw/zinc/65/16/32/977651632.db2.gz NJJLXAFRTOEHOM-OKILXGFUSA-N 2 0 248.374 1.157 20 0 BDADRP CC[N@H+](Cc1cc2c[nH+]ccc2[nH]1)C1CN(C)C1 ZINC001232017717 977842747 /nfs/dbraw/zinc/84/27/47/977842747.db2.gz VIXSKZRDLXQYBC-UHFFFAOYSA-N 2 0 244.342 1.699 20 0 BDADRP Cc1cc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)on1 ZINC001277606495 977876354 /nfs/dbraw/zinc/87/63/54/977876354.db2.gz XKKPJRRVRGWIMV-UHFFFAOYSA-N 2 0 249.358 1.901 20 0 BDADRP C[C@@H](CNc1cc[nH+]cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001336915857 978050935 /nfs/dbraw/zinc/05/09/35/978050935.db2.gz GNNSNERVQVYRKC-RWMBFGLXSA-N 2 0 249.358 1.413 20 0 BDADRP CC(C)[N@@H+]1CCC[C@H](OCC[NH+](C)C)C1 ZINC001206277554 978129217 /nfs/dbraw/zinc/12/92/17/978129217.db2.gz BCROTPDZVSKGPY-LBPRGKRZSA-N 2 0 214.353 1.437 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](OCCC[NH+](C)C)C1 ZINC001206296092 978300098 /nfs/dbraw/zinc/30/00/98/978300098.db2.gz JWGOUOFEQOXBAC-LBPRGKRZSA-N 2 0 214.353 1.437 20 0 BDADRP CN(C[C@@H]1CCC[N@@H+]1C)c1cc[nH+]cc1 ZINC001337707795 978466431 /nfs/dbraw/zinc/46/64/31/978466431.db2.gz RMZQGGOCAVSSNI-LBPRGKRZSA-N 2 0 205.305 1.612 20 0 BDADRP Cc1ncoc1C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206310784 978483296 /nfs/dbraw/zinc/48/32/96/978483296.db2.gz CGOKCYVWDAJNIK-CYBMUJFWSA-N 2 0 237.347 1.934 20 0 BDADRP CC(C)CC[C@H](O)C[NH2+]C[C@@H](C)C[NH+](C)C ZINC001338476051 978688907 /nfs/dbraw/zinc/68/89/07/978688907.db2.gz VFGNTQUNFNOQBF-OLZOCXBDSA-N 2 0 230.396 1.571 20 0 BDADRP CC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001277806605 978693513 /nfs/dbraw/zinc/69/35/13/978693513.db2.gz GNKXHVFKUXDFMI-MCIONIFRSA-N 2 0 239.407 1.495 20 0 BDADRP CC[C@H](C)[NH+]1CC2(C1)CCN(CC[NH+](C)C)C2 ZINC001277807196 978695923 /nfs/dbraw/zinc/69/59/23/978695923.db2.gz LIDKWAFAFTYBNY-ZDUSSCGKSA-N 2 0 239.407 1.354 20 0 BDADRP CCOCC[N@@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001277856360 978833714 /nfs/dbraw/zinc/83/37/14/978833714.db2.gz NPIIXWXPASXIOB-AWEZNQCLSA-N 2 0 240.391 1.831 20 0 BDADRP CCOCC[NH2+][C@@]12CC[C@@]([NH2+]C)(C1)CCC2 ZINC001277856386 978835457 /nfs/dbraw/zinc/83/54/57/978835457.db2.gz OOOUJDBAQUZKRC-OLZOCXBDSA-N 2 0 226.364 1.677 20 0 BDADRP CC[C@H]1CCCC[N@@H+]1CCNc1ccnc(N)n1 ZINC001339577683 978873108 /nfs/dbraw/zinc/87/31/08/978873108.db2.gz GVXXWBAMTKIUHU-NSHDSACASA-N 2 0 249.362 1.735 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CCN2CC[NH+](C)CC2)C1 ZINC000070761647 978893793 /nfs/dbraw/zinc/89/37/93/978893793.db2.gz NKYOLNWRYFUMCW-CHWSQXEVSA-N 2 0 225.380 1.012 20 0 BDADRP CC[C@]1(C(=O)N[C@H](C[NH3+])CC(C)C)CCC[NH2+]1 ZINC001339851926 978925633 /nfs/dbraw/zinc/92/56/33/978925633.db2.gz CAJCHUYKJQLELB-WCQYABFASA-N 2 0 241.379 1.008 20 0 BDADRP OCCCCC[N@@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235038328 978958545 /nfs/dbraw/zinc/95/85/45/978958545.db2.gz GSCRDDPBJBKFES-AWEZNQCLSA-N 2 0 240.391 1.757 20 0 BDADRP CC1(C[N@@H+]2CCC[C@]23CC[NH2+]C3)CC[NH2+]CC1 ZINC001235112217 978976411 /nfs/dbraw/zinc/97/64/11/978976411.db2.gz YXJCUSGQZCRYBF-CQSZACIVSA-N 3 0 237.391 1.204 20 0 BDADRP C([C@H]1CCC[NH2+]C1)N1CCCC[C@@]12CC[NH2+]C2 ZINC001235127499 978980960 /nfs/dbraw/zinc/98/09/60/978980960.db2.gz YZGVOTBVPYXCKY-KBPBESRZSA-N 2 0 237.391 1.204 20 0 BDADRP CC[C@H](N)C[N@@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235154964 978984455 /nfs/dbraw/zinc/98/44/55/978984455.db2.gz XJOIUQZFTXEJOX-KBPBESRZSA-N 2 0 239.407 1.578 20 0 BDADRP C([C@@H]1CC[NH2+]1)N1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235230338 979000303 /nfs/dbraw/zinc/00/03/03/979000303.db2.gz AXBJLLAZUAYRKT-KBPBESRZSA-N 2 0 237.391 1.202 20 0 BDADRP C(C1C[NH2+]C1)[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235230289 979000603 /nfs/dbraw/zinc/00/06/03/979000603.db2.gz ABXHJHUFBNAGSI-CQSZACIVSA-N 3 0 237.391 1.060 20 0 BDADRP CC[C@@H]([NH3+])CN1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235234499 979002342 /nfs/dbraw/zinc/00/23/42/979002342.db2.gz YWTZWPAPNPPJLH-KGLIPLIRSA-N 2 0 239.407 1.578 20 0 BDADRP CN(CC[C@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC001235342031 979030617 /nfs/dbraw/zinc/03/06/17/979030617.db2.gz GQSZECAQXKMQHM-CHWSQXEVSA-N 2 0 225.380 1.060 20 0 BDADRP [NH3+]C1([C@H]2C[N@H+](CCCCCO)C[C@@H]2CF)CC1 ZINC001235398394 979036187 /nfs/dbraw/zinc/03/61/87/979036187.db2.gz VIISTFYDAOVAGE-RYUDHWBXSA-N 2 0 244.354 1.158 20 0 BDADRP CCN(CC[NH3+])C(=O)[C@@H]([NH3+])C1CCCCCC1 ZINC001340690686 979064018 /nfs/dbraw/zinc/06/40/18/979064018.db2.gz ITBFKLFCHBSJGB-LBPRGKRZSA-N 2 0 241.379 1.091 20 0 BDADRP CCN(CC[NH3+])C(=O)[C@H]([NH3+])C1CCCCCC1 ZINC001340690685 979064678 /nfs/dbraw/zinc/06/46/78/979064678.db2.gz ITBFKLFCHBSJGB-GFCCVEGCSA-N 2 0 241.379 1.091 20 0 BDADRP C[NH2+]CC1CC[NH+](CC[C@H]2CCCC[NH2+]2)CC1 ZINC001235679092 979117577 /nfs/dbraw/zinc/11/75/77/979117577.db2.gz OKPFCQRKVPHXBZ-CQSZACIVSA-N 3 0 239.407 1.450 20 0 BDADRP C[C@H]([NH3+])CN1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001235677254 979120273 /nfs/dbraw/zinc/12/02/73/979120273.db2.gz FZNBAFKSMRYDBB-KBPBESRZSA-N 2 0 239.407 1.674 20 0 BDADRP [NH3+]CCCC[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC001235705327 979129175 /nfs/dbraw/zinc/12/91/75/979129175.db2.gz KJQJMNVPKHXYDA-LBPRGKRZSA-N 2 0 219.332 1.610 20 0 BDADRP [NH3+]CCCC[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC001235703390 979131015 /nfs/dbraw/zinc/13/10/15/979131015.db2.gz RBTQFSNIXCRSCS-UHFFFAOYSA-N 3 0 239.407 1.437 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC001235719484 979132904 /nfs/dbraw/zinc/13/29/04/979132904.db2.gz VDZAQBCERZKYIC-CQSZACIVSA-N 2 0 234.343 1.799 20 0 BDADRP CC[C@H]1CN(CC[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001235723596 979135615 /nfs/dbraw/zinc/13/56/15/979135615.db2.gz HBBJKXWYNPNCGK-STQMWFEESA-N 2 0 225.380 1.060 20 0 BDADRP C[NH+]1CCC(C2CC[NH+](CCCO)CC2)CC1 ZINC001235727437 979136885 /nfs/dbraw/zinc/13/68/85/979136885.db2.gz SDDPFJZZKBDWSS-UHFFFAOYSA-N 2 0 240.391 1.423 20 0 BDADRP Fc1ccccc1[C@@H]1C[NH2+]CCN1C[C@@H]1CC[NH2+]1 ZINC001235742002 979140023 /nfs/dbraw/zinc/14/00/23/979140023.db2.gz HNIDXCVHJZCNSV-FZMZJTMJSA-N 2 0 249.333 1.134 20 0 BDADRP C[C@@H]([NH3+])CN1CC[NH2+]C[C@H]1c1ccccc1F ZINC001235743304 979140944 /nfs/dbraw/zinc/14/09/44/979140944.db2.gz NALBOFDHSUKASB-MFKMUULPSA-N 2 0 237.322 1.119 20 0 BDADRP CCN(C[C@@H]([NH3+])c1ccccc1)C1CC[NH2+]CC1 ZINC001235762051 979142870 /nfs/dbraw/zinc/14/28/70/979142870.db2.gz UNWPXRRJHQEBQN-OAHLLOKOSA-N 2 0 247.386 1.760 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCc2nc(Cl)ncc2C1 ZINC001235815604 979159685 /nfs/dbraw/zinc/15/96/85/979159685.db2.gz MNMHUKBKTHXXSC-UHFFFAOYSA-N 2 0 240.738 1.227 20 0 BDADRP CC[NH2+][C@H](C)CNC(=O)[C@@](C)(C[NH3+])CC(C)C ZINC001340921957 979162837 /nfs/dbraw/zinc/16/28/37/979162837.db2.gz IMENLVREDUTFJK-DGCLKSJQSA-N 2 0 243.395 1.112 20 0 BDADRP CC1(C)C[N@H+](CCCCCC[NH3+])CCN1 ZINC001235833848 979163159 /nfs/dbraw/zinc/16/31/59/979163159.db2.gz SMKLSJXKAAHWTI-UHFFFAOYSA-N 2 0 213.369 1.189 20 0 BDADRP CN(C[C@H]([NH3+])Cc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC001235843064 979166274 /nfs/dbraw/zinc/16/62/74/979166274.db2.gz UZFWVXFRZKBDLX-HUUCEWRRSA-N 2 0 247.386 1.098 20 0 BDADRP CC[C@H]([NH3+])CN1CC[NH2+][C@@H](CC(C)C)C1 ZINC001235877872 979177741 /nfs/dbraw/zinc/17/77/41/979177741.db2.gz AJMKSUTZGHRBLE-RYUDHWBXSA-N 2 0 213.369 1.044 20 0 BDADRP Cc1cc(Cl)ccc1CN(CC[NH3+])CC[NH3+] ZINC001235877495 979174255 /nfs/dbraw/zinc/17/42/55/979174255.db2.gz LWNOVJHJELTMLA-UHFFFAOYSA-N 2 0 241.766 1.368 20 0 BDADRP CC[NH2+]CCN1CC[NH2+][C@H](c2ccccc2)C1 ZINC001235859274 979175465 /nfs/dbraw/zinc/17/54/65/979175465.db2.gz MJOOTBQTIGLTTI-AWEZNQCLSA-N 2 0 233.359 1.242 20 0 BDADRP CC(C)C[C@H]1CN(CCCCC[NH3+])CC[NH2+]1 ZINC001235877934 979176346 /nfs/dbraw/zinc/17/63/46/979176346.db2.gz FESOSYSIAUQHMJ-ZDUSSCGKSA-N 2 0 227.396 1.435 20 0 BDADRP Cc1c(Cl)cccc1CN(CC[NH3+])CC[NH3+] ZINC001235880816 979177540 /nfs/dbraw/zinc/17/75/40/979177540.db2.gz PWYUBSIZDHGQAL-UHFFFAOYSA-N 2 0 241.766 1.368 20 0 BDADRP Cc1[nH]c2ccccc2c1CN(CC[NH3+])CC[NH3+] ZINC001235877988 979177581 /nfs/dbraw/zinc/17/75/81/979177581.db2.gz XZYUQFXVYZICJT-UHFFFAOYSA-N 2 0 246.358 1.196 20 0 BDADRP C[C@H]1CC[C@@H]([NH3+])C[N@@H+]1CCC1CC[NH2+]CC1 ZINC001235892323 979184296 /nfs/dbraw/zinc/18/42/96/979184296.db2.gz PEYLVBHQGUNHCF-WCQYABFASA-N 3 0 225.380 1.188 20 0 BDADRP [NH3+][C@H]1CCN(CC[C@@H]2CCCC[NH2+]2)CC1(F)F ZINC001235911971 979203361 /nfs/dbraw/zinc/20/33/61/979203361.db2.gz OPTSTKBIXOTDEN-QWRGUYRKSA-N 2 0 247.333 1.187 20 0 BDADRP CC(C)N(CC[NH3+])CC[C@H]1CCCC[NH2+]1 ZINC001235947567 979219803 /nfs/dbraw/zinc/21/98/03/979219803.db2.gz DCJJOTUIKSXSBM-GFCCVEGCSA-N 2 0 213.369 1.188 20 0 BDADRP CCN(C[C@@H]([NH3+])c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC001235970947 979236202 /nfs/dbraw/zinc/23/62/02/979236202.db2.gz XFAKUHZGCNBGNE-ZIAGYGMSSA-N 2 0 233.359 1.370 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)CC1 ZINC001235979612 979247211 /nfs/dbraw/zinc/24/72/11/979247211.db2.gz NSAATXPBAFLOMY-KBPBESRZSA-N 2 0 237.391 1.141 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001235979615 979248151 /nfs/dbraw/zinc/24/81/51/979248151.db2.gz NSAATXPBAFLOMY-ZIAGYGMSSA-N 2 0 237.391 1.141 20 0 BDADRP [NH3+][C@]12CC[C@@H]1C[N@H+](CC1CC3(C1)CC[NH2+]CC3)C2 ZINC001235980587 979250776 /nfs/dbraw/zinc/25/07/76/979250776.db2.gz QUOGYAXOUXZQST-HIFRSBDPSA-N 2 0 249.402 1.189 20 0 BDADRP Cc1ccc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cc1 ZINC001235994342 979285553 /nfs/dbraw/zinc/28/55/53/979285553.db2.gz VEOAPDJFFVWWHM-YIONKMFJSA-N 2 0 246.354 1.401 20 0 BDADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@H]([NH3+])c1ccccc1 ZINC001341241516 979293022 /nfs/dbraw/zinc/29/30/22/979293022.db2.gz LEPLAJDPMHBIGU-CHWSQXEVSA-N 2 0 249.358 1.176 20 0 BDADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@H]([NH3+])c1ccccc1 ZINC001341241518 979294887 /nfs/dbraw/zinc/29/48/87/979294887.db2.gz LEPLAJDPMHBIGU-QWHCGFSZSA-N 2 0 249.358 1.176 20 0 BDADRP C[C@@H]1C[C@@H](N)C[N@H+](CCC2CC[NH2+]CC2)C1 ZINC001236043927 979332684 /nfs/dbraw/zinc/33/26/84/979332684.db2.gz GGUATBGBFSUROS-DGCLKSJQSA-N 2 0 225.380 1.045 20 0 BDADRP C[N@H+](C1CC1)C1CC[NH+](CCCC[NH3+])CC1 ZINC001236094450 979382243 /nfs/dbraw/zinc/38/22/43/979382243.db2.gz UUADDNBVGUWYJA-UHFFFAOYSA-N 2 0 225.380 1.284 20 0 BDADRP CC1(C[N@H+]2C[C@H]3CCC[C@@H](C2)N3)CC[NH2+]CC1 ZINC001236093939 979385679 /nfs/dbraw/zinc/38/56/79/979385679.db2.gz QAPRHJBCYGIFTK-BETUJISGSA-N 2 0 237.391 1.202 20 0 BDADRP CC[C@@H]([NH3+])CN1CC[NH2+]C[C@H]1c1cccs1 ZINC001236114550 979391392 /nfs/dbraw/zinc/39/13/92/979391392.db2.gz NBUXAYHVHVYQRA-MNOVXSKESA-N 2 0 239.388 1.432 20 0 BDADRP CC(C)[C@H]1CCC[N@@H+]1C[C@@H]1CNC(C)(C)O1 ZINC001236108003 979394386 /nfs/dbraw/zinc/39/43/86/979394386.db2.gz GLUVZDMSOYWXAH-NWDGAFQWSA-N 2 0 226.364 1.831 20 0 BDADRP C[C@@H]([NH3+])CN1CC[NH2+]C[C@H]1c1cccs1 ZINC001236116198 979395201 /nfs/dbraw/zinc/39/52/01/979395201.db2.gz WMBWBBGDNUMQAI-ZJUUUORDSA-N 2 0 225.361 1.042 20 0 BDADRP CN(Cc1cnc2cc[nH]cc1-2)C[C@@H]1CCC[NH2+]1 ZINC001236120198 979397467 /nfs/dbraw/zinc/39/74/67/979397467.db2.gz OPXOROYDKVACFP-LBPRGKRZSA-N 2 0 244.342 1.747 20 0 BDADRP CCCC[C@@H]1CN(C[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC001236135441 979405404 /nfs/dbraw/zinc/40/54/04/979405404.db2.gz OMFPFIDELVQVQA-OLZOCXBDSA-N 2 0 225.380 1.202 20 0 BDADRP CCCC[C@H]1CN(C[C@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001236136556 979410287 /nfs/dbraw/zinc/41/02/87/979410287.db2.gz XQLYGWVVLFZTHA-UONOGXRCSA-N 2 0 239.407 1.593 20 0 BDADRP C[N@H+](CCCCCC[NH3+])[C@@H]1CCCC[C@@H]1N ZINC001236211429 979448588 /nfs/dbraw/zinc/44/85/88/979448588.db2.gz HZGDQGGDRATNHY-QWHCGFSZSA-N 2 0 227.396 1.707 20 0 BDADRP CC[NH2+]CCN(C)C1CCC([NH2+]C)CC1 ZINC001236213392 979455044 /nfs/dbraw/zinc/45/50/44/979455044.db2.gz RLKFQKIOQRSKJF-UHFFFAOYSA-N 2 0 213.369 1.058 20 0 BDADRP CC(C)CC[C@@H]([NH3+])C(=O)Nc1ccccc1C[NH3+] ZINC001341572023 979472333 /nfs/dbraw/zinc/47/23/33/979472333.db2.gz ZACAZBDVDZWDSC-GFCCVEGCSA-N 2 0 249.358 1.847 20 0 BDADRP [NH3+]C[C@H]1CCCN1Cc1occc1[S-] ZINC001236252362 979473437 /nfs/dbraw/zinc/47/34/37/979473437.db2.gz JQIOWENUTQJQGD-MRVPVSSYSA-N 2 0 212.318 1.491 20 0 BDADRP [NH3+]CCN(Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001236268775 979480824 /nfs/dbraw/zinc/48/08/24/979480824.db2.gz GJUNJZGOBCDUIH-CQSZACIVSA-N 2 0 233.359 1.199 20 0 BDADRP C(C[NH2+]C1CCCCC1)CN1C[C@@H]2[NH2+]C[C@H]2C1 ZINC001236280329 979480834 /nfs/dbraw/zinc/48/08/34/979480834.db2.gz CFPVOYXSCRBJNN-JSGCOSHPSA-N 2 0 237.391 1.202 20 0 BDADRP O=C(C[C@H]1CC[NH2+]C1)Nc1cccc2c1C[NH2+]C2 ZINC001341624778 979496897 /nfs/dbraw/zinc/49/68/97/979496897.db2.gz WHAPAPLHIBZREX-SNVBAGLBSA-N 2 0 245.326 1.228 20 0 BDADRP [NH3+]Cc1ccccc1NC(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC001341671772 979518070 /nfs/dbraw/zinc/51/80/70/979518070.db2.gz ROUTZLGTHYMOKC-KXNHARMFSA-N 2 0 245.326 1.067 20 0 BDADRP Cc1cncc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236314738 979522941 /nfs/dbraw/zinc/52/29/41/979522941.db2.gz GHBHHMNYKNIDFE-GASCZTMLSA-N 2 0 245.370 1.821 20 0 BDADRP FC(F)(F)CC[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236313964 979525185 /nfs/dbraw/zinc/52/51/85/979525185.db2.gz BYLUFUASTHUVEI-AOOOYVTPSA-N 2 0 236.281 1.870 20 0 BDADRP Cc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)[nH]1 ZINC001236317134 979530156 /nfs/dbraw/zinc/53/01/56/979530156.db2.gz UFIIQFIIGGMQTE-BETUJISGSA-N 2 0 233.359 1.755 20 0 BDADRP c1ncc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)o1 ZINC001236320642 979531339 /nfs/dbraw/zinc/53/13/39/979531339.db2.gz SJABOEVZOZAPCU-PHIMTYICSA-N 2 0 221.304 1.106 20 0 BDADRP Cc1ncncc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320335 979534067 /nfs/dbraw/zinc/53/40/67/979534067.db2.gz FJGGQWJYGGERJQ-BETUJISGSA-N 2 0 246.358 1.216 20 0 BDADRP Cc1nccnc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236319393 979534509 /nfs/dbraw/zinc/53/45/09/979534509.db2.gz AICFAKBYTVLWBE-BETUJISGSA-N 2 0 246.358 1.216 20 0 BDADRP CCCN(CC1(F)CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC001236322635 979535021 /nfs/dbraw/zinc/53/50/21/979535021.db2.gz RHGVCXMHDDNFDT-LBPRGKRZSA-N 2 0 243.370 1.152 20 0 BDADRP CCC[N@H+](CCCO)CCC[NH+](C)C ZINC001236322866 979535836 /nfs/dbraw/zinc/53/58/36/979535836.db2.gz UQICKIYVALFNSK-UHFFFAOYSA-N 2 0 202.342 1.033 20 0 BDADRP CCN(CC[C@@H]1CCCC[NH2+]1)C[C@@H]1CC[NH2+]C1 ZINC001236407948 979582957 /nfs/dbraw/zinc/58/29/57/979582957.db2.gz JROZLCUHPQOWOG-KGLIPLIRSA-N 3 0 239.407 1.450 20 0 BDADRP C[C@@H]1[C@@H]([NH3+])CCCN1C[C@H]([NH3+])Cc1ccccc1 ZINC001236417031 979592726 /nfs/dbraw/zinc/59/27/26/979592726.db2.gz WKFXWHNNJINALW-YUELXQCFSA-N 2 0 247.386 1.368 20 0 BDADRP [NH3+]CCN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001236442195 979600609 /nfs/dbraw/zinc/60/06/09/979600609.db2.gz ZVCKNMUGMSJLDI-GJZGRUSLSA-N 2 0 245.370 1.151 20 0 BDADRP CC(C)N(CC[C@H]1CCC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC001236526640 979613362 /nfs/dbraw/zinc/61/33/62/979613362.db2.gz KWXYRAJCGMEAFQ-ZIAGYGMSSA-N 2 0 239.407 1.448 20 0 BDADRP CC(C)N(C[C@@H]1CCCC[NH2+]1)[C@H]1CC[NH2+]C1 ZINC001236528405 979621382 /nfs/dbraw/zinc/62/13/82/979621382.db2.gz SDHIXWKWDQKLEW-STQMWFEESA-N 2 0 225.380 1.201 20 0 BDADRP CC(C)N(CC[C@@H]1CCCC[NH2+]1)[C@H]1CC[NH2+]C1 ZINC001236528996 979622530 /nfs/dbraw/zinc/62/25/30/979622530.db2.gz UYSKGBMPWUNUEW-KBPBESRZSA-N 2 0 239.407 1.591 20 0 BDADRP CC(C)C[N@H+](C[C@H](C)N)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236552681 979633414 /nfs/dbraw/zinc/63/34/14/979633414.db2.gz ZHQOBRYOBFRJOO-AVGNSLFASA-N 2 0 227.396 1.562 20 0 BDADRP [NH3+][C@H]1CC[C@H]([N@H+](CCCO)CC2CC2)CC1 ZINC001236550048 979633637 /nfs/dbraw/zinc/63/36/37/979633637.db2.gz BYVAQERQFJRAFC-JOCQHMNTSA-N 2 0 226.364 1.351 20 0 BDADRP [NH3+]CCCC[N@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236584512 979666632 /nfs/dbraw/zinc/66/66/32/979666632.db2.gz GCWMSLNJXKXQBB-GFCCVEGCSA-N 3 0 225.380 1.189 20 0 BDADRP C[C@]1(C[NH3+])CCCC[N@H+](Cc2cc[nH]c(=O)c2)C1 ZINC001206549267 979678076 /nfs/dbraw/zinc/67/80/76/979678076.db2.gz LJRIMFDWJTWCMM-CQSZACIVSA-N 2 0 249.358 1.738 20 0 BDADRP [NH3+][C@H]1CC[C@H]([N@H+](CCO)Cc2ccccc2)CC1 ZINC001236682289 979694579 /nfs/dbraw/zinc/69/45/79/979694579.db2.gz RVANIYNLJZONFR-SHTZXODSSA-N 2 0 248.370 1.751 20 0 BDADRP CCC(CC)[N@H+](CCN)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236782277 979722110 /nfs/dbraw/zinc/72/21/10/979722110.db2.gz IAGRZFYOJZPRGA-AULYBMBSSA-N 2 0 227.396 1.706 20 0 BDADRP CC(C)[C@H]([NH3+])CCNC(=O)C[C@@H]([NH3+])C(C)(C)C ZINC001342250896 979734886 /nfs/dbraw/zinc/73/48/86/979734886.db2.gz MAVTXUVHDSIUBM-GHMZBOCLSA-N 2 0 243.395 1.240 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC[C@@H]3CCCC[NH2+]3)C[C@@H]12 ZINC001236821647 979747339 /nfs/dbraw/zinc/74/73/39/979747339.db2.gz WARWIKMLZKFUFV-XJFOESAGSA-N 3 0 237.391 1.188 20 0 BDADRP CCCC[NH+]1CCC([N@H+](C)CCCC[NH3+])CC1 ZINC001236848321 979757159 /nfs/dbraw/zinc/75/71/59/979757159.db2.gz PHXOIZYAJAGZMX-UHFFFAOYSA-N 3 0 241.423 1.922 20 0 BDADRP C[NH2+]C1CC(C(=O)Nc2ccccc2C[NH3+])C1 ZINC001342340072 979778405 /nfs/dbraw/zinc/77/84/05/979778405.db2.gz LOKXIHPUVCOPGS-UHFFFAOYSA-N 2 0 233.315 1.082 20 0 BDADRP [NH3+]Cc1ccccc1NC(=O)[C@H]([NH3+])CC1CC1 ZINC001342340940 979779010 /nfs/dbraw/zinc/77/90/10/979779010.db2.gz USOGGGMHJMOBEB-LLVKDONJSA-N 2 0 233.315 1.211 20 0 BDADRP C[NH+]1CCN(c2cccc(C[NH+]3CCC3)c2)CC1 ZINC001236886747 979781607 /nfs/dbraw/zinc/78/16/07/979781607.db2.gz HZIWLNZNUKCKTK-UHFFFAOYSA-N 2 0 245.370 1.644 20 0 BDADRP CCOC(=O)CCCCCC[N@H+](C)C[C@H](C)[NH3+] ZINC001236885785 979781685 /nfs/dbraw/zinc/78/16/85/979781685.db2.gz RQVZCMZCCZVRNZ-LBPRGKRZSA-N 2 0 244.379 1.779 20 0 BDADRP CC[NH2+][C@H](C)C(=O)N[C@H](C)CC[NH+](CC)CC ZINC001342632718 979847232 /nfs/dbraw/zinc/84/72/32/979847232.db2.gz ODDLJYNEHTUSAY-VXGBXAGGSA-N 2 0 243.395 1.221 20 0 BDADRP CC[N@H+]1C[C@@H]2C[NH+](Cc3cccc(N)c3)C[C@@H]2C1 ZINC001237222696 979851603 /nfs/dbraw/zinc/85/16/03/979851603.db2.gz GPYCOTXFIDALNM-OKILXGFUSA-N 2 0 245.370 1.652 20 0 BDADRP C[C@H]([NH3+])CN1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001237360297 979874817 /nfs/dbraw/zinc/87/48/17/979874817.db2.gz WWSMLGOYTWDNKV-LBPRGKRZSA-N 2 0 245.370 1.428 20 0 BDADRP [NH3+]C12CC(CCN3CC[C@@H]4[NH2+]CCC[C@@H]4C3)(C1)C2 ZINC001237375209 979877881 /nfs/dbraw/zinc/87/78/81/979877881.db2.gz LLPQJHRUFKJMAP-DNDYEEKYSA-N 2 0 249.402 1.332 20 0 BDADRP O=c1[nH]cccc1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237380024 979879043 /nfs/dbraw/zinc/87/90/43/979879043.db2.gz DXUQFHAINTXCJC-DGCLKSJQSA-N 2 0 247.342 1.361 20 0 BDADRP CC(C)CC[NH2+]C[C@H]1C[NH+]2CCC1CC2 ZINC001184134883 979945715 /nfs/dbraw/zinc/94/57/15/979945715.db2.gz JBYIRCYZXUFNLU-ZDUSSCGKSA-N 2 0 210.365 1.964 20 0 BDADRP CC(C)CC[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001184387966 980057715 /nfs/dbraw/zinc/05/77/15/980057715.db2.gz OCCXOEJXKHLHGN-JHJVBQTASA-N 2 0 210.365 1.962 20 0 BDADRP C[NH+](C)CCOc1cccc(CC[NH+](C)C)c1 ZINC001250159852 980115653 /nfs/dbraw/zinc/11/56/53/980115653.db2.gz NOGPZJJVVFQBIE-UHFFFAOYSA-N 2 0 236.359 1.731 20 0 BDADRP C[NH+](C)[C@H]1CCN(Cc2cccc3c[nH+]cn32)C1 ZINC001238103062 980152309 /nfs/dbraw/zinc/15/23/09/980152309.db2.gz JLFKFLCUHWWSNA-ZDUSSCGKSA-N 2 0 244.342 1.470 20 0 BDADRP C[C@]1(CO)CC[N@H+](Cc2cccc3cncn32)C1 ZINC001238104679 980157233 /nfs/dbraw/zinc/15/72/33/980157233.db2.gz YRBSNPKFRCSMTA-AWEZNQCLSA-N 2 0 245.326 1.539 20 0 BDADRP CC[N@H+](CCC(N)=O)Cc1cccc2c[nH+]cn21 ZINC001238114863 980163108 /nfs/dbraw/zinc/16/31/08/980163108.db2.gz XYZVPGCMJNMELS-UHFFFAOYSA-N 2 0 246.314 1.032 20 0 BDADRP CCN(C(=O)CCCCC[NH3+])C1CC[NH2+]CC1 ZINC001343730357 980223111 /nfs/dbraw/zinc/22/31/11/980223111.db2.gz ALJPLQCYKXDJQE-UHFFFAOYSA-N 2 0 241.379 1.106 20 0 BDADRP CC[NH+](CC)[C@H](C)CNC(=O)C[NH2+]C(C)(C)C ZINC001344351482 980374207 /nfs/dbraw/zinc/37/42/07/980374207.db2.gz HSVYOAMXECWBIW-LLVKDONJSA-N 2 0 243.395 1.221 20 0 BDADRP C([C@H]1CC2CCC1CC2)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000691664336 980417942 /nfs/dbraw/zinc/41/79/42/980417942.db2.gz WEVHNQCTLBRKID-CLACGNGHSA-N 2 0 234.387 1.964 20 0 BDADRP Fc1ccc(CC[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c(F)c1 ZINC001345103072 980550439 /nfs/dbraw/zinc/55/04/39/980550439.db2.gz AKJZCIZNEJUELQ-PJXYFTJBSA-N 2 0 238.281 1.315 20 0 BDADRP [NH3+]Cc1cncc(-c2cccc(C[NH3+])n2)c1 ZINC001239785885 980916895 /nfs/dbraw/zinc/91/68/95/980916895.db2.gz CXLULDJWZLEBPY-UHFFFAOYSA-N 2 0 214.272 1.061 20 0 BDADRP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)[C@H](C)O)C1 ZINC001191257053 981002179 /nfs/dbraw/zinc/00/21/79/981002179.db2.gz IPJLDPNEALYHEZ-AGIUHOORSA-N 2 0 228.380 1.419 20 0 BDADRP C[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205602413 981165604 /nfs/dbraw/zinc/16/56/04/981165604.db2.gz IWQZNPYRBHTPAE-NDBYEHHHSA-N 2 0 210.365 1.949 20 0 BDADRP CC[C@H](N)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205604859 981181466 /nfs/dbraw/zinc/18/14/66/981181466.db2.gz YHLOYQBVWGRLNF-TUAOUCFPSA-N 2 0 213.369 1.031 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+]CCCc1ccc(C)nc1 ZINC001348517003 981380520 /nfs/dbraw/zinc/38/05/20/981380520.db2.gz ZEURIYJYVWYEAI-GFCCVEGCSA-N 2 0 235.375 1.910 20 0 BDADRP C[NH2+][C@@H](C)CC[NH2+]CCCc1ccc(C)nc1 ZINC001348517004 981380594 /nfs/dbraw/zinc/38/05/94/981380594.db2.gz ZEURIYJYVWYEAI-LBPRGKRZSA-N 2 0 235.375 1.910 20 0 BDADRP C[NH+](C)Cc1cncc(C2=CCC[NH2+]C2)c1 ZINC001240669673 981578773 /nfs/dbraw/zinc/57/87/73/981578773.db2.gz QJJHAPSVQSJIHD-UHFFFAOYSA-N 2 0 217.316 1.520 20 0 BDADRP O[C@H]1C[NH2+]CC[C@H]1[NH2+]CC1CCCCCC1 ZINC001580879967 981674636 /nfs/dbraw/zinc/67/46/36/981674636.db2.gz IHAMAGJFTFBQOG-OLZOCXBDSA-N 2 0 226.364 1.269 20 0 BDADRP O=c1ccc(C[NH2+]C[C@H]2CCC[NH2+]CC2)c[nH]1 ZINC001580888123 981712543 /nfs/dbraw/zinc/71/25/43/981712543.db2.gz FVMVWXCIBXWBSD-NSHDSACASA-N 2 0 235.331 1.267 20 0 BDADRP c1ccc(NCCC[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC001580895191 981729448 /nfs/dbraw/zinc/72/94/48/981729448.db2.gz GJXXCJWRSVFQNA-UHFFFAOYSA-N 2 0 245.370 1.830 20 0 BDADRP c1cn2c(n1)[C@H]([NH2+]C[C@H]1CCC[NH2+]CC1)CC2 ZINC001580896735 981735688 /nfs/dbraw/zinc/73/56/88/981735688.db2.gz PJWKXLHIZRRLBR-NWDGAFQWSA-N 2 0 234.347 1.307 20 0 BDADRP CC/C=C\CC[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205662806 981741044 /nfs/dbraw/zinc/74/10/44/981741044.db2.gz DTMJYEUDXPJFNK-SCOBNMCVSA-N 2 0 226.364 1.518 20 0 BDADRP C[C@H]([NH3+])CN1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC001351798880 982390504 /nfs/dbraw/zinc/39/05/04/982390504.db2.gz DZLSWDDBTVNYIX-CMPLNLGQSA-N 2 0 213.369 1.031 20 0 BDADRP C[C@@H]([NH3+])CN1c2ccccc2[C@@H]([NH3+])C1(C)C ZINC001351799833 982392946 /nfs/dbraw/zinc/39/29/46/982392946.db2.gz LNDQQWOSYCLSIB-BXKDBHETSA-N 2 0 219.332 1.632 20 0 BDADRP CC[C@H]1CC[C@@H]([NH2+]CCN2CC[NH+](C)CC2)C1 ZINC000080457093 982429764 /nfs/dbraw/zinc/42/97/64/982429764.db2.gz QCLQWXWKHNSLKM-UONOGXRCSA-N 2 0 239.407 1.402 20 0 BDADRP C[N@H+]1CC=C(c2ccc(OC3C[NH2+]C3)cn2)CC1 ZINC001241331881 982496597 /nfs/dbraw/zinc/49/65/97/982496597.db2.gz BVIJIURDHDWPNA-UHFFFAOYSA-N 2 0 245.326 1.151 20 0 BDADRP C[C@H]1CC[C@@H](CN)[N@H+](CC2CC[NH2+]CC2)C1 ZINC001205806357 982570059 /nfs/dbraw/zinc/57/00/59/982570059.db2.gz UDKXXAMJJSQPTC-AAEUAGOBSA-N 2 0 225.380 1.045 20 0 BDADRP C[NH+]1CCc2ncnc(C3=CCC[N@@H+](C)C3)c2C1 ZINC001241569113 982815322 /nfs/dbraw/zinc/81/53/22/982815322.db2.gz RAAXUOBFRQGCOA-UHFFFAOYSA-N 2 0 244.342 1.183 20 0 BDADRP O[C@H](C[NH2+][C@H]1CCC[C@H](F)C1)C[NH+]1CCCC1 ZINC001353363581 982849018 /nfs/dbraw/zinc/84/90/18/982849018.db2.gz HYWPQFBWXWQVCR-RWMBFGLXSA-N 2 0 244.354 1.313 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)NCC(C)(C)[NH+](C)C ZINC001353447785 982864774 /nfs/dbraw/zinc/86/47/74/982864774.db2.gz JZFPVLYLLNTEHK-NSHDSACASA-N 2 0 243.395 1.206 20 0 BDADRP COC1(C[NH2+]CC[C@@H](C)[NH+](C)C)CCC1 ZINC001353593202 982899455 /nfs/dbraw/zinc/89/94/55/982899455.db2.gz LEDHHYQVVKUZIN-LLVKDONJSA-N 2 0 214.353 1.485 20 0 BDADRP C([NH2+]C1CCSCC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037408396 982940800 /nfs/dbraw/zinc/94/08/00/982940800.db2.gz OCQLWBVJKRLYBN-LLVKDONJSA-N 2 0 240.416 1.956 20 0 BDADRP CC(C)(C)[C@@H]([NH3+])CC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC001353949824 983096650 /nfs/dbraw/zinc/09/66/50/983096650.db2.gz WVPBLQONKUHKPC-MXWKQRLJSA-N 2 0 241.379 1.136 20 0 BDADRP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(C[NH3+])cc1 ZINC001205903640 983125719 /nfs/dbraw/zinc/12/57/19/983125719.db2.gz QMVFWKDEIPAITK-IUODEOHRSA-N 3 0 247.386 1.705 20 0 BDADRP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(C[NH3+])cc1 ZINC001205903639 983126407 /nfs/dbraw/zinc/12/64/07/983126407.db2.gz QMVFWKDEIPAITK-DOMZBBRYSA-N 3 0 247.386 1.705 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC001354235357 983215912 /nfs/dbraw/zinc/21/59/12/983215912.db2.gz JNMDURKUUYSYIF-WOPDTQHZSA-N 2 0 226.364 1.268 20 0 BDADRP Cc1cc(N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)nc(N)[nH+]1 ZINC001354393915 983296945 /nfs/dbraw/zinc/29/69/45/983296945.db2.gz DCBQEIRGAURPRI-HBNTYKKESA-N 2 0 247.346 1.119 20 0 BDADRP N[C@H]1CCCC[N@H+](CCCCCC[NH3+])C1 ZINC001205923553 983352801 /nfs/dbraw/zinc/35/28/01/983352801.db2.gz PDHZIVLVHLIUAB-LBPRGKRZSA-N 2 0 213.369 1.319 20 0 BDADRP CC[N@H+](CCCC[NH3+])CCCC(=O)OC ZINC001205925031 983401762 /nfs/dbraw/zinc/40/17/62/983401762.db2.gz VGDHSRCHOIRYSX-UHFFFAOYSA-N 2 0 216.325 1.000 20 0 BDADRP CC[NH2+][C@@H](C)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC001355601634 983528436 /nfs/dbraw/zinc/52/84/36/983528436.db2.gz ZYCKDRBDCHRZEU-NSHDSACASA-N 2 0 243.395 1.031 20 0 BDADRP CCCC[C@@H](O)C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC001252106776 983651016 /nfs/dbraw/zinc/65/10/16/983651016.db2.gz BDHTXRHBWHAVGO-UONOGXRCSA-N 2 0 242.407 1.859 20 0 BDADRP [NH3+][C@@H]1CC[N@H+](CCCC2CCCC2)C[C@H]1O ZINC001205947255 983663595 /nfs/dbraw/zinc/66/35/95/983663595.db2.gz ZUEDITXYHYGHCD-CHWSQXEVSA-N 2 0 226.364 1.351 20 0 BDADRP CCCC[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+](C)C1 ZINC001252107107 983666457 /nfs/dbraw/zinc/66/64/57/983666457.db2.gz DXTYARPXYQBCBQ-NWDGAFQWSA-N 2 0 214.353 1.079 20 0 BDADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC001357484404 983732106 /nfs/dbraw/zinc/73/21/06/983732106.db2.gz FCAUSNMLUHIUDJ-HBNTYKKESA-N 2 0 241.379 1.007 20 0 BDADRP COCC1(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000691832298 983815323 /nfs/dbraw/zinc/81/53/23/983815323.db2.gz WTFRCFIYIFKXAN-QWRGUYRKSA-N 2 0 224.348 1.273 20 0 BDADRP CCC[N@H+]1C[C@@H]2C[NH+](C[C@H]3CCOC3)C[C@@H]2C1 ZINC001202530995 983876445 /nfs/dbraw/zinc/87/64/45/983876445.db2.gz YGJHOUIBSANXSD-MCIONIFRSA-N 2 0 238.375 1.297 20 0 BDADRP C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]C1CC[NH2+]CC1 ZINC001573590181 984034706 /nfs/dbraw/zinc/03/47/06/984034706.db2.gz OLECYLRHGFALLJ-WFASDCNBSA-N 2 0 248.370 1.493 20 0 BDADRP c1cc(-c2cc3c(nn2)C[NH2+]C3)cc2c1C[NH2+]C2 ZINC001242673398 984041600 /nfs/dbraw/zinc/04/16/00/984041600.db2.gz BUOLSKYNUAWQHQ-UHFFFAOYSA-N 2 0 238.294 1.350 20 0 BDADRP C([C@H]1CC[NH2+]C1)[N@@H+]1CCCC[C@@]12CCOC2 ZINC001574799676 984118701 /nfs/dbraw/zinc/11/87/01/984118701.db2.gz FHXHCMHTUDSGER-STQMWFEESA-N 2 0 224.348 1.241 20 0 BDADRP C[C@H](CCc1ccccc1)[NH2+]C[C@@]1(O)CC[NH2+]C1 ZINC001575966482 984147765 /nfs/dbraw/zinc/14/77/65/984147765.db2.gz ORUCWAGHOBLKCF-UKRRQHHQSA-N 2 0 248.370 1.322 20 0 BDADRP C[C@H](O)[C@H](C)[N@@H+]1C[C@H]2CCCC[C@]2(C[NH3+])C1 ZINC001576261773 984160352 /nfs/dbraw/zinc/16/03/52/984160352.db2.gz AXDLPMVBRMZZNJ-RVMXOQNASA-N 2 0 226.364 1.207 20 0 BDADRP C[C@H](O)C[C@H]1CCCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC001576273309 984165798 /nfs/dbraw/zinc/16/57/98/984165798.db2.gz UFZOJLQEOBDFLQ-ZOBORPQBSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@H]1[C@H](CO)CC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC001576572268 984172297 /nfs/dbraw/zinc/17/22/97/984172297.db2.gz KGPTUYOUYKMVOC-JSGCOSHPSA-N 2 0 240.391 1.469 20 0 BDADRP CC1([NH2+]Cc2ccc3c(c2)C[NH2+]CC3)COC1 ZINC001576545710 984173509 /nfs/dbraw/zinc/17/35/09/984173509.db2.gz QUAKUYPJSFBEEE-UHFFFAOYSA-N 2 0 232.327 1.211 20 0 BDADRP C[C@@H]1[C@H](CO)CC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC001576572270 984173812 /nfs/dbraw/zinc/17/38/12/984173812.db2.gz KGPTUYOUYKMVOC-OCCSQVGLSA-N 2 0 240.391 1.469 20 0 BDADRP COCCC[N@@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205981049 984174327 /nfs/dbraw/zinc/17/43/27/984174327.db2.gz BEYBJJXUCGXWQK-VXGBXAGGSA-N 2 0 214.353 1.330 20 0 BDADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C[C@@]2(O)CC[NH2+]C2)C1 ZINC001576646439 984179118 /nfs/dbraw/zinc/17/91/18/984179118.db2.gz DBEUIYYGQXRDAL-YVECIDJPSA-N 2 0 226.364 1.125 20 0 BDADRP C[C@@H]1OCC[C@@]1(C)[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576903054 984185369 /nfs/dbraw/zinc/18/53/69/984185369.db2.gz FGPNENUFNYOTMH-NNYUYHANSA-N 2 0 212.337 1.271 20 0 BDADRP CC[C@H](C)N1C[C@@H](C)O[C@]2(CC[NH2+]C2)C1 ZINC001576996410 984187529 /nfs/dbraw/zinc/18/75/29/984187529.db2.gz FEQMPEZWRXHICO-TUAOUCFPSA-N 2 0 212.337 1.238 20 0 BDADRP CCC[C@@H](O)C[N@@H+]1C2CCC1(C[NH3+])CC2 ZINC001577369642 984192427 /nfs/dbraw/zinc/19/24/27/984192427.db2.gz SEMQVULBJDDPDG-MOENNCHZSA-N 2 0 212.337 1.103 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCOC2)CCC[C@H]1C[NH3+] ZINC001205983864 984213776 /nfs/dbraw/zinc/21/37/76/984213776.db2.gz PPHWLDCZQSRERR-RDBSUJKOSA-N 2 0 240.391 1.720 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH2+]C12CCC2 ZINC001578528751 984215436 /nfs/dbraw/zinc/21/54/36/984215436.db2.gz KZKWWBDBEXAYQQ-CHWSQXEVSA-N 2 0 237.391 1.345 20 0 BDADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H](C)C(C)(C)C1 ZINC001578622164 984216476 /nfs/dbraw/zinc/21/64/76/984216476.db2.gz PMBLOBKIJBYWDS-YPMHNXCESA-N 2 0 228.380 1.325 20 0 BDADRP COCC[C@@H]([NH3+])C[NH2+]CC(C)(C)C1CC1 ZINC001579001402 984249028 /nfs/dbraw/zinc/24/90/28/984249028.db2.gz ICGQYXMIEXEEQN-LLVKDONJSA-N 2 0 214.353 1.376 20 0 BDADRP C[NH2+]Cc1cccc(-c2c[nH+]ccc2N)c1 ZINC001242997604 984360750 /nfs/dbraw/zinc/36/07/50/984360750.db2.gz XECIWHYXTOENBI-UHFFFAOYSA-N 2 0 213.284 1.881 20 0 BDADRP [NH3+][C@H]1CC12CC([NH2+][C@@H](CO)Cc1ccccc1)C2 ZINC001580163458 984400027 /nfs/dbraw/zinc/40/00/27/984400027.db2.gz BGQDGWNDAJSXIL-JLVJUDLZSA-N 2 0 246.354 1.059 20 0 BDADRP COCCC[N@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001274937501 984408941 /nfs/dbraw/zinc/40/89/41/984408941.db2.gz WEPDBAGMHGNHTF-BETUJISGSA-N 2 0 226.364 1.297 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+][C@H]1CCC[C@H]1CCO)C2 ZINC001580165998 984408950 /nfs/dbraw/zinc/40/89/50/984408950.db2.gz OCIRFTDKTIJUGK-PHKUEXBLSA-N 2 0 224.348 1.007 20 0 BDADRP CC[C@@H](C)C[NH+]1CC2(CN(CC[NH+](C)C)C2)C1 ZINC001275066076 984462768 /nfs/dbraw/zinc/46/27/68/984462768.db2.gz QGZWIQSWLNULKJ-CYBMUJFWSA-N 2 0 239.407 1.212 20 0 BDADRP CC[NH+]1CCC2(CC[N@H+](CCN(C)C)C2)CC1 ZINC001275087467 984485039 /nfs/dbraw/zinc/48/50/39/984485039.db2.gz WPFMVWIPGSVLHZ-UHFFFAOYSA-N 2 0 239.407 1.356 20 0 BDADRP C[N@H+]1CC[C@H]2C[NH+](CC3CC3)C[C@H]2CC1 ZINC001275137124 984503219 /nfs/dbraw/zinc/50/32/19/984503219.db2.gz OPIOZKMTBIGJOB-BETUJISGSA-N 2 0 208.349 1.670 20 0 BDADRP C[NH2+][C@@]12CC[C@@]([NH2+]C[C@@H]3CCOC3)(C1)CCC2 ZINC001275169508 984510809 /nfs/dbraw/zinc/51/08/09/984510809.db2.gz XVBRJJPXNRJEMW-MELADBBJSA-N 2 0 238.375 1.677 20 0 BDADRP C1=C(c2ccc3c(c2)C[NH2+]CC3)C[NH2+]C1 ZINC001243109072 984563042 /nfs/dbraw/zinc/56/30/42/984563042.db2.gz JWKWCLMJQIMASR-UHFFFAOYSA-N 2 0 200.285 1.319 20 0 BDADRP CCC[NH+]1CCC([NH2+]CCc2cnoc2)CC1 ZINC000718921024 984566088 /nfs/dbraw/zinc/56/60/88/984566088.db2.gz MDEJXFGEKVZSKI-UHFFFAOYSA-N 2 0 237.347 1.681 20 0 BDADRP C[NH+](C)C1CCC([NH2+]CCc2cnoc2)CC1 ZINC000718953784 984567887 /nfs/dbraw/zinc/56/78/87/984567887.db2.gz YDDDNCABPUXAGH-UHFFFAOYSA-N 2 0 237.347 1.680 20 0 BDADRP C1=C(c2ccc([C@@H]3CC[NH2+]C3)cc2)C[NH2+]C1 ZINC001243112282 984581189 /nfs/dbraw/zinc/58/11/89/984581189.db2.gz VRJVFVMFKCQQFJ-CQSZACIVSA-N 2 0 214.312 1.750 20 0 BDADRP C[NH+](C)Cc1cc(C2=CC[NH2+]C2)ccc1F ZINC001243114429 984584841 /nfs/dbraw/zinc/58/48/41/984584841.db2.gz CEYJGFVLVMRAJY-UHFFFAOYSA-N 2 0 220.291 1.874 20 0 BDADRP CC[NH+]1CCC(C[NH2+]CCC[S@](C)=O)CC1 ZINC001308950863 984640029 /nfs/dbraw/zinc/64/00/29/984640029.db2.gz MZYSYNYMXYMHOW-INIZCTEOSA-N 2 0 246.420 1.077 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@@H]1C[C@H]([NH3+])C1(C)C ZINC001577697723 984643916 /nfs/dbraw/zinc/64/39/16/984643916.db2.gz RNXBSDDNTQGPKW-GRYCIOLGSA-N 2 0 227.396 1.432 20 0 BDADRP CC[NH+](CC)CC[C@H](C)NC[C@]12C[C@H]1C[NH2+]C2 ZINC001577687650 984644257 /nfs/dbraw/zinc/64/42/57/984644257.db2.gz NYMSABVIEKAYGQ-MELADBBJSA-N 2 0 239.407 1.306 20 0 BDADRP CC[N@H+](CCC[NH2+]C1CC1)CCC(=O)OC ZINC001577715498 984655753 /nfs/dbraw/zinc/65/57/53/984655753.db2.gz MNWQOPXPEATXLJ-UHFFFAOYSA-N 2 0 228.336 1.014 20 0 BDADRP CC[N@H+](Cc1cc[nH]c(=O)c1)C1CC[NH2+]CC1 ZINC001577734764 984684828 /nfs/dbraw/zinc/68/48/28/984684828.db2.gz UGLKHOSGDDOXLL-UHFFFAOYSA-N 2 0 235.331 1.361 20 0 BDADRP C[N@H+]1CC[C@H]2C[NH+](Cc3ccnnc3)C[C@H]2CC1 ZINC001275881662 984712571 /nfs/dbraw/zinc/71/25/71/984712571.db2.gz CIZGBIJUJDULFI-OKILXGFUSA-N 2 0 246.358 1.250 20 0 BDADRP C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccncc1)CC2 ZINC001275885612 984716604 /nfs/dbraw/zinc/71/66/04/984716604.db2.gz JQIXAJRPLDQWQS-UHFFFAOYSA-N 2 0 245.370 1.999 20 0 BDADRP C[N@@H+]1CCC2(C1)CC[NH+](Cc1cccnn1)CC2 ZINC001275874624 984717349 /nfs/dbraw/zinc/71/73/49/984717349.db2.gz LMVZPIDXBVMBRS-UHFFFAOYSA-N 2 0 246.358 1.394 20 0 BDADRP C[C@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000380153753 984728331 /nfs/dbraw/zinc/72/83/31/984728331.db2.gz JCZANIQBYKQHIO-UONOGXRCSA-N 2 0 240.391 1.565 20 0 BDADRP CC[N@@H+]1CCC[C@@H](N[C@@H]2C[NH2+]CC2(C)C)C1 ZINC001577771079 984779851 /nfs/dbraw/zinc/77/98/51/984779851.db2.gz RLMXAONJPZUEKK-VXGBXAGGSA-N 2 0 225.380 1.058 20 0 BDADRP CC[N@@H+]1CCC[C@H](N[C@@H](CC[NH3+])C(F)F)C1 ZINC001577771069 984783192 /nfs/dbraw/zinc/78/31/92/984783192.db2.gz RLAKUXPHCNVXPS-UWVGGRQHSA-N 2 0 235.322 1.043 20 0 BDADRP CC[NH2+][C@H](C)CN[C@H]1CCC[N@H+](CC)C1 ZINC001577887162 984815443 /nfs/dbraw/zinc/81/54/43/984815443.db2.gz PSQASCXIMGHYJI-NEPJUHHUSA-N 2 0 213.369 1.058 20 0 BDADRP CCOC(OCC)[C@@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC001578074972 984839106 /nfs/dbraw/zinc/83/91/06/984839106.db2.gz CLHVQDBMCYBUKP-VOMCLLRMSA-N 2 0 244.379 1.634 20 0 BDADRP [NH3+]C1CC([NH2+][C@H]2CCO[C@H](c3ccccc3)C2)C1 ZINC001256792404 984840196 /nfs/dbraw/zinc/84/01/96/984840196.db2.gz JVVVHQPZGJWMQZ-SHWKFHJASA-N 2 0 246.354 1.986 20 0 BDADRP CCOC1CC(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC001578084307 984842936 /nfs/dbraw/zinc/84/29/36/984842936.db2.gz IIAONRZCUOHKLS-HBIQZDMRSA-N 2 0 212.337 1.081 20 0 BDADRP CCO[C@@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(C)C1)C1CC1 ZINC001578076073 984843298 /nfs/dbraw/zinc/84/32/98/984843298.db2.gz ZPFOKTGHQYAATG-RDBSUJKOSA-N 2 0 238.375 1.343 20 0 BDADRP CCO[C@@H]1CCCC[C@H]1[NH2+]CCC[NH3+] ZINC001578148730 984854374 /nfs/dbraw/zinc/85/43/74/984854374.db2.gz HTLCOKBGBCRCHH-GHMZBOCLSA-N 2 0 200.326 1.273 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]CC[C@H](C)[NH3+])[C@]12CCCO2 ZINC001578149166 984857450 /nfs/dbraw/zinc/85/74/50/984857450.db2.gz WYYQTPXVJKZFHY-WUHRBBMRSA-N 2 0 242.363 1.040 20 0 BDADRP CCO[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC001578151425 984859187 /nfs/dbraw/zinc/85/91/87/984859187.db2.gz JLMYEOBCZSMAED-AAVRWANBSA-N 2 0 240.391 1.922 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+]C2CC3(C[C@H]3[NH3+])C2)C1 ZINC001578160777 984863924 /nfs/dbraw/zinc/86/39/24/984863924.db2.gz CUIWJVCLBZIUEV-VCODAQAJSA-N 2 0 210.321 1.023 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+][C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC001578161022 984864989 /nfs/dbraw/zinc/86/49/89/984864989.db2.gz IOSKBTZDDZYBLG-BJDJZHNGSA-N 2 0 224.348 1.413 20 0 BDADRP CC[C@@H]1OCC[C@H]1[NH2+]CCC1([NH3+])CCOCC1 ZINC001578228823 984879966 /nfs/dbraw/zinc/87/99/66/984879966.db2.gz KTRGZINDXHZTFO-NEPJUHHUSA-N 2 0 242.363 1.042 20 0 BDADRP CC[C@H]1[NH2+]CC[C@@H]1[NH2+][C@H]1CCO[C@H](C)C1 ZINC001578241572 984895913 /nfs/dbraw/zinc/89/59/13/984895913.db2.gz BVDLSOAUGIDSEZ-KXNHARMFSA-N 2 0 212.337 1.284 20 0 BDADRP CCc1cnc(CN[C@H]2C[C@@H]([NH3+])C2)s1 ZINC001578282822 984918789 /nfs/dbraw/zinc/91/87/89/984918789.db2.gz RTBHGUFGJQKHIU-OCAPTIKFSA-N 2 0 211.334 1.285 20 0 BDADRP CC[C@@H](C)[N@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257431509 985003163 /nfs/dbraw/zinc/00/31/63/985003163.db2.gz HVKXFIZQSTZXLF-IJLUTSLNSA-N 2 0 226.364 1.756 20 0 BDADRP CN(C)c1cccc(CN(C)C2CC([NH3+])C2)n1 ZINC001578427321 985062237 /nfs/dbraw/zinc/06/22/37/985062237.db2.gz QPXGSXKZUHCAMV-UHFFFAOYSA-N 2 0 234.347 1.069 20 0 BDADRP CCCC[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000040435590 985137175 /nfs/dbraw/zinc/13/71/75/985137175.db2.gz RLPULQLREWEUEI-CQSZACIVSA-N 2 0 241.423 1.648 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@@H]([NH3+])C3)[C@@H]2C1 ZINC001578521171 985145502 /nfs/dbraw/zinc/14/55/02/985145502.db2.gz MJGAKUBNPWHAFI-MRTXSQPYSA-N 3 0 237.391 1.186 20 0 BDADRP C[N@@H+]1CC[C@@H]2CN(C[C@@H]3CCCC[NH2+]C3)C[C@@H]21 ZINC001578541211 985171992 /nfs/dbraw/zinc/17/19/92/985171992.db2.gz WEZVPTVVQFOOCT-MCIONIFRSA-N 2 0 237.391 1.012 20 0 BDADRP C[N@@H+]1CC[C@@H]2CN(C[C@@]3(C)CCC[NH2+]C3)C[C@@H]21 ZINC001578541035 985175433 /nfs/dbraw/zinc/17/54/33/985175433.db2.gz MEQQQSKDECTOBU-RDBSUJKOSA-N 2 0 237.391 1.012 20 0 BDADRP C[NH2+]C[C@@H](C)C(=O)Nc1ccc2c[nH+]cn2c1 ZINC001578623151 985239088 /nfs/dbraw/zinc/23/90/88/985239088.db2.gz KBBPLNGIFDHUMF-SECBINFHSA-N 2 0 232.287 1.128 20 0 BDADRP C[NH2+]C[C@H](O)C[N@@H+]1CCC[C@@H](CC(C)C)C1 ZINC001578653849 985276427 /nfs/dbraw/zinc/27/64/27/985276427.db2.gz FBKYTSHSFJFTEZ-STQMWFEESA-N 2 0 228.380 1.325 20 0 BDADRP C[NH2+]CC1CC[NH+](C[C@](C)(OC)C2CC2)CC1 ZINC001578664153 985279189 /nfs/dbraw/zinc/27/91/89/985279189.db2.gz OZRMXZDFYOKCSK-AWEZNQCLSA-N 2 0 240.391 1.733 20 0 BDADRP C[NH2+]CCOCC[NH2+]CC1(C)CCCC1 ZINC001578709786 985308523 /nfs/dbraw/zinc/30/85/23/985308523.db2.gz NDCQEQDHWGQPGE-UHFFFAOYSA-N 2 0 214.353 1.392 20 0 BDADRP COC(=O)[C@@]1(C)CCC[N@H+](CC(C)(C)C[NH3+])C1 ZINC001578779029 985340539 /nfs/dbraw/zinc/34/05/39/985340539.db2.gz XSTFNWCWMKXZKZ-ZDUSSCGKSA-N 2 0 242.363 1.246 20 0 BDADRP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC001578790683 985359334 /nfs/dbraw/zinc/35/93/34/985359334.db2.gz VUCZEBMZFIUNKB-VSSNEEPJSA-N 2 0 240.347 1.044 20 0 BDADRP COC(=O)CC(C)(C)[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578802600 985375799 /nfs/dbraw/zinc/37/57/99/985375799.db2.gz TWVFSTXUZSHMEO-VHSXEESVSA-N 2 0 228.336 1.045 20 0 BDADRP COC(=O)[C@@H]1CC[N@H+](CC(C)(C)C[NH3+])C[C@@H]1C ZINC001578832550 985408154 /nfs/dbraw/zinc/40/81/54/985408154.db2.gz BEGGRPWIEOTADX-WDEREUQCSA-N 2 0 242.363 1.102 20 0 BDADRP O[C@H](CN1CCCC1)C[N@@H+]1CCC12CCCC2 ZINC000687975886 985436437 /nfs/dbraw/zinc/43/64/37/985436437.db2.gz CFYXCOFGGDRSGG-CYBMUJFWSA-N 2 0 238.375 1.462 20 0 BDADRP CO[C@@](C)(C[NH2+]C1CC2(C[C@@H]2[NH3+])C1)C1CC1 ZINC001578897862 985480164 /nfs/dbraw/zinc/48/01/64/985480164.db2.gz ZJCNFQWJABRSLW-ZFQMDJOTSA-N 2 0 224.348 1.271 20 0 BDADRP COC(=O)[C@H](C[NH3+])C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC001258152809 985492213 /nfs/dbraw/zinc/49/22/13/985492213.db2.gz CBTDVBSOFSICNH-KXNHARMFSA-N 2 0 242.363 1.149 20 0 BDADRP C[C@@H]1COC[C@@H]1[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000688022584 985496660 /nfs/dbraw/zinc/49/66/60/985496660.db2.gz FIUQOVGXWBNFOW-MCIONIFRSA-N 2 0 240.391 1.875 20 0 BDADRP CO[C@H](C[NH2+][C@H](C)[C@H](C)[NH3+])CC(C)C ZINC001578912315 985512628 /nfs/dbraw/zinc/51/26/28/985512628.db2.gz CGPMABCMAHIINM-AXFHLTTASA-N 2 0 202.342 1.373 20 0 BDADRP CO[C@@H](C[NH2+][C@@H]1CCCC[C@H]1[NH3+])C1CC1 ZINC001578913257 985500262 /nfs/dbraw/zinc/50/02/62/985500262.db2.gz SYHWBJZDAASVKP-UTUOFQBUSA-N 2 0 212.337 1.271 20 0 BDADRP COC1([C@H](C)[NH2+]C2CC3(C[C@@H]3[NH3+])C2)CCC1 ZINC001578924879 985522966 /nfs/dbraw/zinc/52/29/66/985522966.db2.gz UDMXOZLPIQHBCN-VOBJUBJWSA-N 2 0 224.348 1.413 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@H]1COC[C@H]1C ZINC000688050057 985534430 /nfs/dbraw/zinc/53/44/30/985534430.db2.gz SHDOLNRCAHHIEQ-NEPJUHHUSA-N 2 0 214.353 1.341 20 0 BDADRP COC1CC(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC001578936132 985540563 /nfs/dbraw/zinc/54/05/63/985540563.db2.gz OQBWLPDRYGKYJV-TUUUFIMRSA-N 2 0 224.348 1.286 20 0 BDADRP CO[C@@H]1CC[C@H]([N@H+](C)CC2CC[NH2+]CC2)C1 ZINC001578938354 985554490 /nfs/dbraw/zinc/55/44/90/985554490.db2.gz RESUUCMNBNTQLM-QWHCGFSZSA-N 2 0 226.364 1.485 20 0 BDADRP [NH3+]Cc1cc(/C=C/C2CC[NH2+]CC2)ccn1 ZINC001243896458 985583069 /nfs/dbraw/zinc/58/30/69/985583069.db2.gz OIKWTRIKWGWVDM-OWOJBTEDSA-N 2 0 217.316 1.553 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+][C@@H](C)CC(C)(C)OC ZINC001579002862 985654524 /nfs/dbraw/zinc/65/45/24/985654524.db2.gz ULLSJYUMQUYQPN-QWRGUYRKSA-N 2 0 232.368 1.143 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+]CCc1ccc(C)cc1 ZINC001579003689 985664853 /nfs/dbraw/zinc/66/48/53/985664853.db2.gz LHTDLEKIWDIJKR-AWEZNQCLSA-N 2 0 236.359 1.491 20 0 BDADRP COCC[C@@H]([NH3+])C[NH2+][C@H]1C[C@@H](OC(C)(C)C)C1 ZINC001579004388 985669815 /nfs/dbraw/zinc/66/98/15/985669815.db2.gz TWUOUJHGQRSUQX-UTUOFQBUSA-N 2 0 244.379 1.286 20 0 BDADRP COCc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])C2)cc1 ZINC001579091312 985704845 /nfs/dbraw/zinc/70/48/45/985704845.db2.gz XWZKNOYZBOIVHZ-BETUJISGSA-N 2 0 220.316 1.412 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](CCO[C@H]2CC2(F)F)C1 ZINC000689031141 985787308 /nfs/dbraw/zinc/78/73/08/985787308.db2.gz XUYZEQSPWXVPQF-ZJUUUORDSA-N 2 0 234.290 1.081 20 0 BDADRP CCOC(=O)CC[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206606367 985897347 /nfs/dbraw/zinc/89/73/47/985897347.db2.gz MATZPDFJDWHZKJ-LLVKDONJSA-N 2 0 228.336 1.000 20 0 BDADRP [NH3+]C[C@@H]1CCCC[N@H+](CCCn2cccn2)C1 ZINC001206606366 985898884 /nfs/dbraw/zinc/89/88/84/985898884.db2.gz LWISGAYNSLNYOL-ZDUSSCGKSA-N 2 0 236.363 1.334 20 0 BDADRP C[C@@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)[C@@H]1CO ZINC001579423281 985900130 /nfs/dbraw/zinc/90/01/30/985900130.db2.gz YJJAMQPROWHSLP-JHJVBQTASA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H]1CCN(C[C@@H]2COC(C)(C)O2)[C@H](C[NH3+])C1 ZINC001579423307 985903075 /nfs/dbraw/zinc/90/30/75/985903075.db2.gz BKKRZTQEXDOMQW-GRYCIOLGSA-N 2 0 242.363 1.197 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1COC(C)(C)C1 ZINC001579454077 985938319 /nfs/dbraw/zinc/93/83/19/985938319.db2.gz XDKQDEIXKUPPKT-UTUOFQBUSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC(C)(C)CC[C@@H]1CO ZINC001579454401 985940558 /nfs/dbraw/zinc/94/05/58/985940558.db2.gz AKESLNCNDUJWIZ-FRRDWIJNSA-N 2 0 240.391 1.325 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC001579454535 985945333 /nfs/dbraw/zinc/94/53/33/985945333.db2.gz JNYYJJFJQQNSOZ-YVECIDJPSA-N 2 0 226.364 1.077 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC001579454712 985949878 /nfs/dbraw/zinc/94/98/78/985949878.db2.gz XMGIJTUYPUXTQP-RFGFWPKPSA-N 2 0 240.391 1.325 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC001579459680 985956587 /nfs/dbraw/zinc/95/65/87/985956587.db2.gz PXJDOKMINKZNRA-KGYLQXTDSA-N 2 0 246.354 1.305 20 0 BDADRP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC001579470898 985977533 /nfs/dbraw/zinc/97/75/33/985977533.db2.gz MVUCAPJQUYTFQN-LBELIVKGSA-N 2 0 208.349 1.620 20 0 BDADRP C[C@H]1CCC[N@H+](Cc2cc(C3C[NH2+]C3)no2)C1 ZINC001579487004 986010609 /nfs/dbraw/zinc/01/06/09/986010609.db2.gz WRQFWMGRYGCEHA-JTQLQIEISA-N 2 0 235.331 1.593 20 0 BDADRP C[C@H]1CN(CC[N@H+](C)Cc2ccccc2)CC[NH2+]1 ZINC001579490403 986015391 /nfs/dbraw/zinc/01/53/91/986015391.db2.gz QYCDBBBCIIFYSY-AWEZNQCLSA-N 2 0 247.386 1.412 20 0 BDADRP Cc1c[nH]c(=O)c(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC001579543651 986074268 /nfs/dbraw/zinc/07/42/68/986074268.db2.gz FJEIDVSHPLMNCT-NWDGAFQWSA-N 2 0 235.331 1.455 20 0 BDADRP Cc1cc(C[NH2+]C[C@H]2CCC[NH2+]CC2)sn1 ZINC001579601297 986127922 /nfs/dbraw/zinc/12/79/22/986127922.db2.gz MOMLIDIKIOZDKW-NSHDSACASA-N 2 0 239.388 1.931 20 0 BDADRP Cc1ccc(C[C@@H](C)[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC001579684592 986171648 /nfs/dbraw/zinc/17/16/48/986171648.db2.gz MERFMGHSVMDQDU-BPLDGKMQSA-N 2 0 248.370 1.096 20 0 BDADRP Cc1conc1CN1C[C@H]2CCCC[C@]2(C[NH3+])C1 ZINC001579830009 986253955 /nfs/dbraw/zinc/25/39/55/986253955.db2.gz MCIHNXRACKAPLB-OCCSQVGLSA-N 2 0 249.358 1.934 20 0 BDADRP Cc1nnc([C@@H](C)[NH2+]C[C@H]2CC[C@@H]([NH3+])C2)o1 ZINC001579896602 986313136 /nfs/dbraw/zinc/31/31/36/986313136.db2.gz FOCZXEMFUMKFHT-FKTZTGRPSA-N 2 0 224.308 1.156 20 0 BDADRP CC[N@H+](C)C1CC[NH+](C[C@H](O)C(C)(C)C)CC1 ZINC001253729526 986344775 /nfs/dbraw/zinc/34/47/75/986344775.db2.gz AGIVXGFKHSGWQD-ZDUSSCGKSA-N 2 0 242.407 1.810 20 0 BDADRP CC(C)(C)[C@@H](O)C[NH2+]CC12CC[NH+](CC1)CC2 ZINC001253746173 986367058 /nfs/dbraw/zinc/36/70/58/986367058.db2.gz UIKQNVXJZVGUQA-LBPRGKRZSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@]1(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CC1(F)F ZINC000689185255 986380934 /nfs/dbraw/zinc/38/09/34/986380934.db2.gz KACWESYZZGVOKJ-KXUCPTDWSA-N 2 0 230.302 1.891 20 0 BDADRP C([NH2+]C[C@H]1C[NH+]2CCC1CC2)[C@@H]1CCSC1 ZINC001462634068 986465366 /nfs/dbraw/zinc/46/53/66/986465366.db2.gz GWLIHICNOJGNPI-AAEUAGOBSA-N 2 0 240.416 1.671 20 0 BDADRP CCN1CCC[C@@H]([NH2+]CC[C@H](O)C2CC2)C1 ZINC001462663390 986494748 /nfs/dbraw/zinc/49/47/48/986494748.db2.gz RVRVNDJQNNSUIM-OLZOCXBDSA-N 2 0 226.364 1.221 20 0 BDADRP C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCSC1 ZINC000642860583 986576465 /nfs/dbraw/zinc/57/64/65/986576465.db2.gz KKYCTSLYUYEKLL-AEJSXWLSSA-N 2 0 200.351 1.161 20 0 BDADRP [NH3+][C@@H](C[NH2+][C@H](CO)CC1CCC1)CC(F)F ZINC001580133016 986597647 /nfs/dbraw/zinc/59/76/47/986597647.db2.gz SRXBCDUUERUEJS-ZJUUUORDSA-N 2 0 236.306 1.110 20 0 BDADRP [NH3+][C@H](C[NH2+][C@H](CO)CC1CCC1)CC(F)F ZINC001580133014 986603954 /nfs/dbraw/zinc/60/39/54/986603954.db2.gz SRXBCDUUERUEJS-UWVGGRQHSA-N 2 0 236.306 1.110 20 0 BDADRP [NH3+][C@H]1CC12CC([NH2+]CC1(C3(O)CCC3)CC1)C2 ZINC001580164321 986636468 /nfs/dbraw/zinc/63/64/68/986636468.db2.gz HFEMIXUYGMKBSJ-CXQJBGSLSA-N 2 0 236.359 1.151 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+]CCCC1CCOCC1)C2 ZINC001580163841 986636558 /nfs/dbraw/zinc/63/65/58/986636558.db2.gz DLRDMTYMCNQOET-ROKHWSDSSA-N 2 0 238.375 1.663 20 0 BDADRP [NH3+][C@H]1CC12CC([NH2+][C@H]1COC3(CCC3)C1)C2 ZINC001580166724 986639814 /nfs/dbraw/zinc/63/98/14/986639814.db2.gz RIHKZPJSOHBKPH-UPOSSJBDSA-N 2 0 222.332 1.167 20 0 BDADRP [NH3+][C@@H]1CC=C(C(=O)Nc2ccc3c[nH+]cn3c2)C1 ZINC001580168130 986639982 /nfs/dbraw/zinc/63/99/82/986639982.db2.gz APTLRJCDEOYULP-SNVBAGLBSA-N 2 0 242.282 1.320 20 0 BDADRP [NH3+]C1CC([NH2+][C@H](C2CCC2)[C@H]2CCCO2)C1 ZINC001580167050 986644808 /nfs/dbraw/zinc/64/48/08/986644808.db2.gz ZEEQUUUPBMSZHZ-FIYWTHMPSA-N 2 0 224.348 1.413 20 0 BDADRP C[C@@H]1CCC[N@@H+]([C@H]2CCC[NH+](C)CC2)[C@H]1CO ZINC001254517094 986655427 /nfs/dbraw/zinc/65/54/27/986655427.db2.gz RYUDNEYOYNCOIN-RDBSUJKOSA-N 2 0 240.391 1.564 20 0 BDADRP [NH3+]C1CCN(CC[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)CC1 ZINC001580189857 986656015 /nfs/dbraw/zinc/65/60/15/986656015.db2.gz RZBHGAJFIQPWHI-FPMFFAJLSA-N 2 0 237.391 1.188 20 0 BDADRP C[C@@H]1CC[N@@H+]([C@@H]2CCC[NH+](C)CC2)C[C@@]1(C)O ZINC001254516440 986656532 /nfs/dbraw/zinc/65/65/32/986656532.db2.gz MJTKZWHPKMWMOB-MGPQQGTHSA-N 2 0 240.391 1.564 20 0 BDADRP C[C@@H]1CC[N@@H+]([C@H]2CCC[NH+](C)CC2)C[C@@H]1O ZINC001254517060 986659291 /nfs/dbraw/zinc/65/92/91/986659291.db2.gz RTDCHAXKPOOWOS-AGIUHOORSA-N 2 0 226.364 1.173 20 0 BDADRP C[N@@H+]1CCC[C@@H](N2CC3(CSC3)C2)CC1 ZINC001254529028 986677565 /nfs/dbraw/zinc/67/75/65/986677565.db2.gz BYKBTYCKCIFRQM-LLVKDONJSA-N 2 0 226.389 1.520 20 0 BDADRP [NH3+]C[C@@H]1CCCC[N@H+](C[C@@H]2CCCO2)C1 ZINC000379995672 986690628 /nfs/dbraw/zinc/69/06/28/986690628.db2.gz IFPVFWCUCFCPEL-RYUDHWBXSA-N 2 0 212.337 1.226 20 0 BDADRP [NH3+]CC1(C[N@@H+]2CCC[C@@H](C3CC3)C2)CC1 ZINC001580243408 986692708 /nfs/dbraw/zinc/69/27/08/986692708.db2.gz FURITTYBEDFCSP-GFCCVEGCSA-N 2 0 208.349 1.847 20 0 BDADRP [NH3+]CC1(C[NH2+]C[C@]23OCCC[C@H]2C3(F)F)CC1 ZINC001580243297 986693233 /nfs/dbraw/zinc/69/32/33/986693233.db2.gz AYHXOOGMFRJRJV-KOLCDFICSA-N 2 0 246.301 1.129 20 0 BDADRP [NH3+]CC1(C[NH2+]CC2(CO)CCCC2)CCC1 ZINC001580244438 986696606 /nfs/dbraw/zinc/69/66/06/986696606.db2.gz XBEKVOAGXNGHKM-UHFFFAOYSA-N 2 0 226.364 1.258 20 0 BDADRP [NH3+]CC1(C[NH+]2CC3(C2)CCCC3)CCC1 ZINC001580243499 986698847 /nfs/dbraw/zinc/69/88/47/986698847.db2.gz IUGOSIWCEHYBTF-UHFFFAOYSA-N 2 0 208.349 1.991 20 0 BDADRP [NH3+]C[C@@]12C[N@H+](C[C@@H](O)C3CC3)C[C@@H]1CCCC2 ZINC001580256019 986710469 /nfs/dbraw/zinc/71/04/69/986710469.db2.gz PFMIULJBGMVPTH-MJBXVCDLSA-N 2 0 238.375 1.208 20 0 BDADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2O3)C1 ZINC001580260803 986715831 /nfs/dbraw/zinc/71/58/31/986715831.db2.gz SDNSANRBXNIXQN-KKJSVHSVSA-N 2 0 210.321 1.023 20 0 BDADRP [NH3+]C[C@H]1CC[C@H]([NH2+]C[C@]23C[C@H]2CCC3)C1 ZINC001580258300 986716262 /nfs/dbraw/zinc/71/62/62/986716262.db2.gz MJETYLSNCGCCMX-RNJOBUHISA-N 2 0 208.349 1.894 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2cn(C3CC3)cn2)CC1 ZINC001580265265 986719942 /nfs/dbraw/zinc/71/99/42/986719942.db2.gz FWCMCYDBRJZJCO-UHFFFAOYSA-N 2 0 234.347 1.389 20 0 BDADRP [NH3+]CCC1CC([NH2+][C@@H]2CCCC(F)(F)[C@H]2O)C1 ZINC001580286508 986734223 /nfs/dbraw/zinc/73/42/23/986734223.db2.gz HHGBBTKJIMZRFC-LXKPXOPUSA-N 2 0 248.317 1.252 20 0 BDADRP [NH3+]Cc1ccc(CNc2nccnc2C[NH3+])cc1 ZINC001580339409 986782053 /nfs/dbraw/zinc/78/20/53/986782053.db2.gz KWJPYLFBRKDXTQ-UHFFFAOYSA-N 2 0 243.314 1.006 20 0 BDADRP [NH3+]Cc1nccnc1NC[C@@H]([NH3+])c1ccccc1 ZINC001580354746 986787455 /nfs/dbraw/zinc/78/74/55/986787455.db2.gz FAGGFYWDRFDLDC-LLVKDONJSA-N 2 0 243.314 1.047 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@H]2c2nnc[nH]2)C1 ZINC001580387145 986812119 /nfs/dbraw/zinc/81/21/19/986812119.db2.gz NYYBVQOXOIQBTD-AXFHLTTASA-N 2 0 235.335 1.069 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cnc3ccccc3c2)C1 ZINC001580423178 986840806 /nfs/dbraw/zinc/84/08/06/986840806.db2.gz SCERCUMSGKHVHM-BETUJISGSA-N 2 0 227.311 1.814 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC001580423210 986842762 /nfs/dbraw/zinc/84/27/62/986842762.db2.gz UJAREXSITVWDRX-KEAGVDKKSA-N 2 0 202.301 1.779 20 0 BDADRP C/C=C(\NC=[NH2+])C1=CC[C@H]([NH+]2CCOCC2)CC1 ZINC001245416824 986847175 /nfs/dbraw/zinc/84/71/75/986847175.db2.gz AVFVRCKHHVNDAT-HJCOKEFQSA-N 2 0 249.358 1.898 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC001580430697 986847179 /nfs/dbraw/zinc/84/71/79/986847179.db2.gz VTGMMQFSHSQFNP-FNCVBFRFSA-N 2 0 238.253 1.176 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC001580430699 986847376 /nfs/dbraw/zinc/84/73/76/986847376.db2.gz VTGMMQFSHSQFNP-JBDRJPRFSA-N 2 0 238.253 1.176 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+][C@@H]2CCc3cccnc3CC2)C1 ZINC001580430522 986847404 /nfs/dbraw/zinc/84/74/04/986847404.db2.gz PTAMOPHWWJEIPX-JHJVBQTASA-N 2 0 231.343 1.408 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc3[nH]cnc3c2)C1 ZINC001580431567 986849797 /nfs/dbraw/zinc/84/97/97/986849797.db2.gz MCTOVVMRLLXQTQ-MGCOHNPYSA-N 2 0 216.288 1.142 20 0 BDADRP C[N@@H+]1CC[C@@H](n2cc(C[NH3+])c3ccccc32)C1 ZINC001255413139 986940464 /nfs/dbraw/zinc/94/04/64/986940464.db2.gz UECLCUZDIGBVFV-GFCCVEGCSA-N 2 0 229.327 1.977 20 0 BDADRP [NH3+]Cc1cnccc1-c1ccc2c(c1)CC[NH2+]C2 ZINC001245558104 986947976 /nfs/dbraw/zinc/94/79/76/986947976.db2.gz MHYAIVZCVJGUAD-UHFFFAOYSA-N 2 0 239.322 1.853 20 0 BDADRP C[N@@H+]1CC[C@H](N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001255437692 986955783 /nfs/dbraw/zinc/95/57/83/986955783.db2.gz DOYASAGMJSTNHG-LBPRGKRZSA-N 2 0 225.380 1.107 20 0 BDADRP O=C(Nc1ccc2c[nH+]cn2c1)C1=CC[NH2+]CC1 ZINC001580774479 987032701 /nfs/dbraw/zinc/03/27/01/987032701.db2.gz ZVCKTRNNDDSZIQ-UHFFFAOYSA-N 2 0 242.282 1.193 20 0 BDADRP CC[NH+](CC)CC[C@H](C)n1c(C)cnc1C[NH3+] ZINC001255945634 987085181 /nfs/dbraw/zinc/08/51/81/987085181.db2.gz HKUYNODORMCBJP-NSHDSACASA-N 2 0 238.379 1.943 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@@H](O)C1 ZINC001255954059 987097182 /nfs/dbraw/zinc/09/71/82/987097182.db2.gz AAVYNAQPEUXXEN-NWDGAFQWSA-N 2 0 214.353 1.173 20 0 BDADRP CC(C)CC[C@@H](C)[NH2+]CCOCC[NH3+] ZINC001256355094 987175738 /nfs/dbraw/zinc/17/57/38/987175738.db2.gz RDCCAVPGUMALLT-LLVKDONJSA-N 2 0 202.342 1.376 20 0 BDADRP C[C@H](Cc1ccccn1)[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC001256408599 987212833 /nfs/dbraw/zinc/21/28/33/987212833.db2.gz AEKCIPSIXXHGIB-KGYLQXTDSA-N 2 0 219.332 1.482 20 0 BDADRP CC(C)(C)OC[C@@H](O)C[NH2+]CC1([NH3+])CCCC1 ZINC001245972188 987240047 /nfs/dbraw/zinc/24/00/47/987240047.db2.gz CJKWZTXKFWDFQD-NSHDSACASA-N 2 0 244.379 1.024 20 0 BDADRP CCCCC[C@@H](O)C[NH2+]C[C@@H]([NH3+])CC ZINC001246005104 987246675 /nfs/dbraw/zinc/24/66/75/987246675.db2.gz QRQPGGHRGXLPGQ-WDEREUQCSA-N 2 0 202.342 1.255 20 0 BDADRP CCCC[C@@H](O)C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC001245980230 987257110 /nfs/dbraw/zinc/25/71/10/987257110.db2.gz HLMDUTSNNYKQNR-NWDGAFQWSA-N 2 0 214.353 1.127 20 0 BDADRP CC[C@H](O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000692872968 987295442 /nfs/dbraw/zinc/29/54/42/987295442.db2.gz MTXQIQSTBQUFED-KBPBESRZSA-N 2 0 240.391 1.469 20 0 BDADRP CCCCC[C@@H](O)C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246017650 987300353 /nfs/dbraw/zinc/30/03/53/987300353.db2.gz SJFSSEROEHNETE-CHWSQXEVSA-N 2 0 228.380 1.741 20 0 BDADRP CC[C@H](O)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000692933225 987300276 /nfs/dbraw/zinc/30/02/76/987300276.db2.gz NARGNLAIWRPLOX-KGLIPLIRSA-N 2 0 240.391 1.469 20 0 BDADRP CCCC[C@H](O)C[N@@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001246023257 987311449 /nfs/dbraw/zinc/31/14/49/987311449.db2.gz PDIBKHWQPVCSSL-MCIONIFRSA-N 2 0 242.407 1.844 20 0 BDADRP C[C@@]1([NH3+])CCC[N@H+](C[C@@H](O)c2ccccc2)CC1 ZINC001246022921 987313877 /nfs/dbraw/zinc/31/38/77/987313877.db2.gz QYFVLABNFKUADZ-HUUCEWRRSA-N 2 0 248.370 1.923 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](CCC2SCCS2)C1 ZINC000693776858 987317305 /nfs/dbraw/zinc/31/73/05/987317305.db2.gz KSGYPEGHWXIEOE-SNVBAGLBSA-N 2 0 246.445 1.724 20 0 BDADRP CC(C)(O)C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246025326 987318529 /nfs/dbraw/zinc/31/85/29/987318529.db2.gz WOTQCFZVVNSYQR-LBPRGKRZSA-N 2 0 214.353 1.208 20 0 BDADRP CCCCC[C@H](O)C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246028116 987323257 /nfs/dbraw/zinc/32/32/57/987323257.db2.gz ABPYXJATMQMKSR-KBPBESRZSA-N 2 0 242.407 1.988 20 0 BDADRP CCCC[C@H](O)C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246025901 987326285 /nfs/dbraw/zinc/32/62/85/987326285.db2.gz ZVYORYVLUQYZCG-QWHCGFSZSA-N 2 0 228.380 1.741 20 0 BDADRP C[C@H](CO)[C@H]1CCCC[N@@H+]1CCCCCC[NH3+] ZINC000696789856 987344141 /nfs/dbraw/zinc/34/41/41/987344141.db2.gz RKQQAYCYMIBWAK-ZIAGYGMSSA-N 2 0 242.407 1.988 20 0 BDADRP CC[N@H+](C[C@@H]1CCCC[NH2+]C1)[C@@H]1CCCOC1 ZINC000697033792 987346743 /nfs/dbraw/zinc/34/67/43/987346743.db2.gz JEGUNDBFYKUQCH-ZIAGYGMSSA-N 2 0 240.391 1.877 20 0 BDADRP C[N@H+](CCOCC1CC1)C[C@@H]1CCCC[NH2+]C1 ZINC000697090377 987352258 /nfs/dbraw/zinc/35/22/58/987352258.db2.gz YYBOYYVTOYQIIU-CQSZACIVSA-N 2 0 240.391 1.735 20 0 BDADRP CNCC[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246073212 987361349 /nfs/dbraw/zinc/36/13/49/987361349.db2.gz RCKJGWWQVQFLNK-UHFFFAOYSA-N 2 0 225.380 1.108 20 0 BDADRP C[C@@H]1C[C@@H](N[C@@H](C[NH3+])c2ccccc2)CC[NH2+]1 ZINC001246075896 987364440 /nfs/dbraw/zinc/36/44/40/987364440.db2.gz LYVKZVNRXZWOJK-XBFCOCLRSA-N 2 0 233.359 1.417 20 0 BDADRP CCOCC[C@@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC001246074381 987365738 /nfs/dbraw/zinc/36/57/38/987365738.db2.gz CULDFJHNJLDYRX-LLVKDONJSA-N 2 0 214.353 1.663 20 0 BDADRP CCCCCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246080740 987378369 /nfs/dbraw/zinc/37/83/69/987378369.db2.gz JPJJOPOOBXTPDS-LBPRGKRZSA-N 2 0 225.380 1.250 20 0 BDADRP Cc1ccc(C[NH3+])nc1N(C)[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246086500 987387629 /nfs/dbraw/zinc/38/76/29/987387629.db2.gz CODZTIGSSQLJFC-AAEUAGOBSA-N 2 0 248.374 1.425 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N[C@@H]1CCCC[NH2+]C1 ZINC001246089356 987394956 /nfs/dbraw/zinc/39/49/56/987394956.db2.gz DGJWWXOYFJZYLK-UONOGXRCSA-N 2 0 241.423 1.839 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N[C@H]1CCCC[NH2+]C1 ZINC001246089355 987395513 /nfs/dbraw/zinc/39/55/13/987395513.db2.gz DGJWWXOYFJZYLK-KGLIPLIRSA-N 2 0 241.423 1.839 20 0 BDADRP CCCC[C@@H]1C[C@@H](N[C@@]2(C)CC[NH2+]C2)CC[NH2+]1 ZINC001246095451 987404646 /nfs/dbraw/zinc/40/46/46/987404646.db2.gz GGPJEQBCFYZPAC-RDBSUJKOSA-N 2 0 239.407 1.639 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1CCCC[NH2+]C1 ZINC001246097324 987408599 /nfs/dbraw/zinc/40/85/99/987408599.db2.gz OCZQSWRTCITVME-FRRDWIJNSA-N 2 0 225.380 1.106 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](C[NH2+][C@@H]2CCCSC2)C1 ZINC001246100007 987417036 /nfs/dbraw/zinc/41/70/36/987417036.db2.gz NDWDLBPDVTZHIS-SDDRHHMPSA-N 2 0 228.405 1.717 20 0 BDADRP CC(C)[C@H]1C[C@@H](N[C@@H]2C[NH2+]CC[C@H]2C)CC[NH2+]1 ZINC001246103067 987426618 /nfs/dbraw/zinc/42/66/18/987426618.db2.gz SPTMQABKVNIHCT-XJFOESAGSA-N 2 0 239.407 1.351 20 0 BDADRP CC[C@H]1C[C@@H](N[C@@H]2C[NH2+]CC[C@H]2C)CC[NH2+]1 ZINC001246103519 987428778 /nfs/dbraw/zinc/42/87/78/987428778.db2.gz WCMZDTFIHVIQDO-MROQNXINSA-N 2 0 225.380 1.105 20 0 BDADRP C[NH2+]CC[C@@H](C)NC[C@]1(C)CCCC[NH2+]C1 ZINC001246104098 987429040 /nfs/dbraw/zinc/42/90/40/987429040.db2.gz UJPWITDYDHEMLT-CHWSQXEVSA-N 2 0 227.396 1.354 20 0 BDADRP C[C@H]1C[NH2+]C[C@H](C[NH2+]C2C[C@@H]3C=C[C@H](C2)O3)C1 ZINC001246106317 987431307 /nfs/dbraw/zinc/43/13/07/987431307.db2.gz XBXGWNKMFNGMBC-DUJLVANISA-N 2 0 236.359 1.308 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CCC2CC[NH2+]CC2)CN1 ZINC001246105512 987432834 /nfs/dbraw/zinc/43/28/34/987432834.db2.gz MQKYXCOQVLZMBU-DGCLKSJQSA-N 2 0 225.380 1.106 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CCC2CC[NH2+]CC2)CN1 ZINC001246105517 987433634 /nfs/dbraw/zinc/43/36/34/987433634.db2.gz MQKYXCOQVLZMBU-YPMHNXCESA-N 2 0 225.380 1.106 20 0 BDADRP CC(C)(C)[C@H]1C[C@H](N[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246107519 987437596 /nfs/dbraw/zinc/43/75/96/987437596.db2.gz BYUQPNWRCOJOLQ-JHJVBQTASA-N 2 0 239.407 1.495 20 0 BDADRP C[C@H](Cc1ccncc1)[NH2+]C[C@H]1C[NH2+]CC[C@@H]1C ZINC001246109817 987440334 /nfs/dbraw/zinc/44/03/34/987440334.db2.gz HESQCJQECNRKQK-GZBFAFLISA-N 2 0 247.386 1.848 20 0 BDADRP C[C@@H]1CC([NH2+]C[C@@H]2CCC[NH2+][C@@H]2C)C[C@@H](C)O1 ZINC001246109107 987440338 /nfs/dbraw/zinc/44/03/38/987440338.db2.gz JKJREZHFMFBGDI-LPWJVIDDSA-N 2 0 240.391 1.920 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1CN[C@H]1CCC[N@H+](C)CC1 ZINC001246108505 987440650 /nfs/dbraw/zinc/44/06/50/987440650.db2.gz IIYZXXUWRZSSRD-IHRRRGAJSA-N 2 0 239.407 1.448 20 0 BDADRP CC[C@@H]1C[C@H](NC[C@H]2CC[C@H](C)C[NH2+]2)CC[NH2+]1 ZINC001246110236 987442222 /nfs/dbraw/zinc/44/22/22/987442222.db2.gz HSXXDBXMQMMUEH-REWJHTLYSA-N 2 0 239.407 1.495 20 0 BDADRP C[NH2+]CC[C@H](C)NC[C@@]1(F)CCCC[NH2+]C1 ZINC001246110529 987447865 /nfs/dbraw/zinc/44/78/65/987447865.db2.gz IMDNOXBKXQOREY-NWDGAFQWSA-N 2 0 231.359 1.056 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1C[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246114158 987449395 /nfs/dbraw/zinc/44/93/95/987449395.db2.gz UTVLQYILWGJMMA-MCIONIFRSA-N 3 0 239.407 1.354 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1C[NH2+][C@H]1CCCN(C)C1 ZINC001246113928 987449424 /nfs/dbraw/zinc/44/94/24/987449424.db2.gz UVQGJHKLNGRQRS-AVGNSLFASA-N 2 0 225.380 1.058 20 0 BDADRP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](F)C2)CC[NH2+]1 ZINC001246112441 987451418 /nfs/dbraw/zinc/45/14/18/987451418.db2.gz UHCMVHZKZVOGRJ-ZRUFSTJUSA-N 2 0 200.301 1.607 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001246117954 987457705 /nfs/dbraw/zinc/45/77/05/987457705.db2.gz DEYRVIYPDFRSJP-DUJLVANISA-N 2 0 238.375 1.532 20 0 BDADRP C[C@@H]1C[NH2+]CCC[C@H]1N[C@@H]1CCCC[NH2+]C1 ZINC001246117903 987460288 /nfs/dbraw/zinc/46/02/88/987460288.db2.gz NCJDWMNYNYFNTK-JHJVBQTASA-N 2 0 225.380 1.106 20 0 BDADRP CC[C@@H]1C[C@@H](NC2CC([NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246117248 987460931 /nfs/dbraw/zinc/46/09/31/987460931.db2.gz YLAXBZSCVQTTQP-FBXCVGSESA-N 2 0 225.380 1.375 20 0 BDADRP CCC[C@H](C)CC[C@H](C)[NH2+]CCC1(O)C[NH2+]C1 ZINC001246119848 987465406 /nfs/dbraw/zinc/46/54/06/987465406.db2.gz XISAPMPIOHGGEE-STQMWFEESA-N 2 0 242.407 1.905 20 0 BDADRP CCSC[C@H](C)[NH2+]C[C@H]1C[NH2+]CC[C@H]1C ZINC001246118785 987465635 /nfs/dbraw/zinc/46/56/35/987465635.db2.gz INNGTODNGXYJDC-GRYCIOLGSA-N 2 0 230.421 1.963 20 0 BDADRP C1C[C@]2(C[NH2+]1)CCC[C@@H]([NH2+][C@H]1CCCNC1)C2 ZINC001246121009 987467341 /nfs/dbraw/zinc/46/73/41/987467341.db2.gz VKOXWZOJDPXKEM-HZSPNIEDSA-N 2 0 237.391 1.250 20 0 BDADRP C1[NH2+]CC1N[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246121805 987469572 /nfs/dbraw/zinc/46/95/72/987469572.db2.gz TVDQANYBOARNPQ-LLVKDONJSA-N 2 0 223.364 1.003 20 0 BDADRP C[NH2+]CC[C@@H](C)[NH2+]CC1CC2(C1)CC[NH2+]CC2 ZINC001246126492 987471268 /nfs/dbraw/zinc/47/12/68/987471268.db2.gz LPSJTWJYWUVMHZ-GFCCVEGCSA-N 3 0 239.407 1.354 20 0 BDADRP CC[C@@H]1C[C@@H](N[C@@H]2C[NH2+]C[C@H]2F)C[C@H](CC)[NH2+]1 ZINC001246127440 987471947 /nfs/dbraw/zinc/47/19/47/987471947.db2.gz KTIOWIOBGXWNAG-NZEXEKPDSA-N 2 0 243.370 1.195 20 0 BDADRP C([NH2+]C1CC[NH2+]CC1)C1CC2(C1)CC[NH2+]CC2 ZINC001246128629 987476482 /nfs/dbraw/zinc/47/64/82/987476482.db2.gz UVCYPLLDWAROBG-UHFFFAOYSA-N 3 0 237.391 1.108 20 0 BDADRP CCCC[C@@H]1C[C@H](N[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246131510 987482592 /nfs/dbraw/zinc/48/25/92/987482592.db2.gz ZDHMYRXJONHBJC-MCIONIFRSA-N 2 0 239.407 1.639 20 0 BDADRP C[C@@H]1CC[C@@H](N[C@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)C[NH2+]1 ZINC001246133719 987486842 /nfs/dbraw/zinc/48/68/42/987486842.db2.gz RZACTNKJUFWWAU-POQQGIQPSA-N 2 0 237.391 1.105 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC23CC[NH2+]CC3)CC[NH2+]1 ZINC001246136937 987495199 /nfs/dbraw/zinc/49/51/99/987495199.db2.gz GVGALDKDXQXNCU-JHJVBQTASA-N 3 0 237.391 1.249 20 0 BDADRP c1ccc([C@@H]2[NH2+]CC[C@H]2N[C@H]2CC[NH2+]C2)cc1 ZINC001246144138 987499750 /nfs/dbraw/zinc/49/97/50/987499750.db2.gz RXSNPGZSDCZHGV-MJBXVCDLSA-N 2 0 231.343 1.041 20 0 BDADRP c1cc2c(s1)[C@@H](N[C@H]1CCC[NH2+]C1)C[NH2+]C2 ZINC001246144777 987501954 /nfs/dbraw/zinc/50/19/54/987501954.db2.gz VABVSGRSYGRBAL-QWRGUYRKSA-N 2 0 237.372 1.234 20 0 BDADRP C[NH2+]CC[C@H](C)[NH2+]C[C@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001246147403 987502560 /nfs/dbraw/zinc/50/25/60/987502560.db2.gz MWJMHXDUXDVPLH-DGAVXFQQSA-N 3 0 239.407 1.210 20 0 BDADRP CCCCC[C@H](CC)[NH2+][C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001246150233 987507706 /nfs/dbraw/zinc/50/77/06/987507706.db2.gz VTBJIPGYTQQLDZ-RFQIPJPRSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]1C[C@@H](N[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)CC[NH2+]1 ZINC001246147994 987509556 /nfs/dbraw/zinc/50/95/56/987509556.db2.gz NPWGDBBOQXXEQB-PEBLQZBPSA-N 2 0 237.391 1.105 20 0 BDADRP C[NH2+]CC[C@@H](C)N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001246150796 987513188 /nfs/dbraw/zinc/51/31/88/987513188.db2.gz YJDQRIPDPNWDRK-MWLCHTKSSA-N 2 0 239.388 1.480 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CCCCCC[NH3+])CN1 ZINC001246165248 987522536 /nfs/dbraw/zinc/52/25/36/987522536.db2.gz QDHGUJCAMSOEOB-VXGBXAGGSA-N 2 0 213.369 1.236 20 0 BDADRP CC[NH+](CC)CCCC[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC001246163126 987525563 /nfs/dbraw/zinc/52/55/63/987525563.db2.gz VUWYXLUYXKXZEB-KGLIPLIRSA-N 3 0 241.423 1.839 20 0 BDADRP C[C@H]1CC[C@H](NCC[NH2+]Cc2ccccc2)C[NH2+]1 ZINC001246165310 987526597 /nfs/dbraw/zinc/52/65/97/987526597.db2.gz GMOGLXORJCYICP-ZFWWWQNUSA-N 2 0 247.386 1.506 20 0 BDADRP [NH3+][C@H]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246167281 987528690 /nfs/dbraw/zinc/52/86/90/987528690.db2.gz YXXSZAKOESLHJM-JZSPREIISA-N 3 0 237.391 1.377 20 0 BDADRP C(N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@H]1CCCC[NH2+]1 ZINC001246168220 987531962 /nfs/dbraw/zinc/53/19/62/987531962.db2.gz IJEBPRCXAKTATC-CHWSQXEVSA-N 2 0 237.391 1.393 20 0 BDADRP CC(C)[C@@H]1C[C@H](NC[C@@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001246171413 987534264 /nfs/dbraw/zinc/53/42/64/987534264.db2.gz VPQRERAYULSEQX-RDBSUJKOSA-N 2 0 239.407 1.495 20 0 BDADRP CC(C)N(CCC[NH3+])[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246173192 987536886 /nfs/dbraw/zinc/53/68/86/987536886.db2.gz QYODCBYOFIIZFD-RYUDHWBXSA-N 2 0 213.369 1.186 20 0 BDADRP Cc1cc(C[NH3+])nn1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246172079 987540155 /nfs/dbraw/zinc/54/01/55/987540155.db2.gz BODBVZHELGBHQL-DHHPTOIESA-N 2 0 220.320 1.106 20 0 BDADRP c1cc(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccn1 ZINC001246173527 987540344 /nfs/dbraw/zinc/54/03/44/987540344.db2.gz APWWZAWSBMNLSC-YIONKMFJSA-N 2 0 245.370 1.887 20 0 BDADRP CCCN(CCC[NH3+])[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246180945 987553410 /nfs/dbraw/zinc/55/34/10/987553410.db2.gz UWGILIVCJMSGBL-RYUDHWBXSA-N 2 0 213.369 1.188 20 0 BDADRP CCCC[N@H+](C)CCCN[C@H]1CC[NH2+][C@H](C)C1 ZINC001246183102 987555183 /nfs/dbraw/zinc/55/51/83/987555183.db2.gz DGCUZLBZRFDHPK-KGLIPLIRSA-N 2 0 241.423 1.839 20 0 BDADRP C([NH2+][C@H]1CCCC[NH2+]C1)[C@@H]1CC12CC[NH2+]CC2 ZINC001246185674 987559509 /nfs/dbraw/zinc/55/95/09/987559509.db2.gz VHWWHQJLTNJYIE-STQMWFEESA-N 3 0 237.391 1.108 20 0 BDADRP CC1(C)CC([NH3+])CC(C)(C)N1[C@@H]1CCC[NH2+]C1 ZINC001246186629 987565554 /nfs/dbraw/zinc/56/55/54/987565554.db2.gz JLTLIOWFXSCNCQ-GFCCVEGCSA-N 2 0 239.407 1.719 20 0 BDADRP CCOC(=O)C1(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246188514 987570128 /nfs/dbraw/zinc/57/01/28/987570128.db2.gz JVUWMHQPYURJSY-WDEREUQCSA-N 2 0 240.347 1.060 20 0 BDADRP C([NH2+][C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)[C@@H]1CCC[NH2+]1 ZINC001246188831 987574716 /nfs/dbraw/zinc/57/47/16/987574716.db2.gz GPUISYGIJRZHJR-HZSPNIEDSA-N 3 0 237.391 1.250 20 0 BDADRP CC1(C)C[C@H](NC[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246197742 987590821 /nfs/dbraw/zinc/59/08/21/987590821.db2.gz LMCZQUXWPJNGEN-NWDGAFQWSA-N 2 0 225.380 1.106 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC(C)(C)c2cnccn2)CC[NH2+]1 ZINC001246197207 987591724 /nfs/dbraw/zinc/59/17/24/987591724.db2.gz ZJCIKRYAXOSANI-VXGBXAGGSA-N 2 0 248.374 1.484 20 0 BDADRP CC[C@@H]1C[C@H](NC[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246199150 987595297 /nfs/dbraw/zinc/59/52/97/987595297.db2.gz JDNRTJROLKEMOC-JHJVBQTASA-N 2 0 225.380 1.106 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)CCO1 ZINC001246199654 987595972 /nfs/dbraw/zinc/59/59/72/987595972.db2.gz YJNZRADZDVWPMA-FRRDWIJNSA-N 2 0 226.364 1.533 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CCO1 ZINC001246206672 987604200 /nfs/dbraw/zinc/60/42/00/987604200.db2.gz RBSNISWNQOXALV-FVCCEPFGSA-N 2 0 226.364 1.804 20 0 BDADRP CCC[C@H](C)[NH2+]C1CN(C2CC[NH2+]CC2)C1 ZINC001246215377 987611592 /nfs/dbraw/zinc/61/15/92/987611592.db2.gz OFOFNUYXGHDLEH-NSHDSACASA-N 2 0 225.380 1.201 20 0 BDADRP C[NH2+]CC[C@H](C)[NH2+][C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246226919 987621823 /nfs/dbraw/zinc/62/18/23/987621823.db2.gz SMRLALUFODOSSH-MELADBBJSA-N 3 0 239.407 1.496 20 0 BDADRP C([NH2+][C@H]1CCCC[NH2+]C1)[C@@H]1CCC[NH2+]CC1 ZINC001246225279 987622083 /nfs/dbraw/zinc/62/20/83/987622083.db2.gz OTWCAGVVBCLXMQ-OLZOCXBDSA-N 3 0 225.380 1.108 20 0 BDADRP c1cncc(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001246231286 987628832 /nfs/dbraw/zinc/62/88/32/987628832.db2.gz DIKMWMOCOWEPNS-YIONKMFJSA-N 2 0 245.370 1.887 20 0 BDADRP CC(C)[C@H]1C[C@@H](N[C@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246232132 987629697 /nfs/dbraw/zinc/62/96/97/987629697.db2.gz WHSSQZNXHROGPA-ZOBORPQBSA-N 2 0 239.407 1.623 20 0 BDADRP CO[C@H]1C[NH2+]C[C@@H]1N[C@H]1CCCC(C)(C)C1 ZINC001246237720 987635346 /nfs/dbraw/zinc/63/53/46/987635346.db2.gz BVHZHDKGIYYBBQ-SRVKXCTJSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@H](Cc1cnccn1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246236141 987635922 /nfs/dbraw/zinc/63/59/22/987635922.db2.gz JYSIHPBMWOYUAJ-FKJOKYEKSA-N 2 0 246.358 1.280 20 0 BDADRP [NH3+]Cc1cccc2c1cnn2[C@@H]1CCC[NH2+]C1 ZINC001246239189 987637912 /nfs/dbraw/zinc/63/79/12/987637912.db2.gz HNNQQKTWVROPHM-LLVKDONJSA-N 2 0 230.315 1.420 20 0 BDADRP CC[C@@H]1C[C@@H](NCC[C@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001246238898 987639600 /nfs/dbraw/zinc/63/96/00/987639600.db2.gz AUZGGSPBMHJYJH-MCIONIFRSA-N 2 0 239.407 1.639 20 0 BDADRP C[C@@H](C[NH+]1CCC(C)CC1)N[C@@H]1CCC[NH2+]C1 ZINC001246255185 987651910 /nfs/dbraw/zinc/65/19/10/987651910.db2.gz JQQAWTIWUPVPFX-UONOGXRCSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCOc2ccccn2)CC[NH2+]1 ZINC001246257984 987655354 /nfs/dbraw/zinc/65/53/54/987655354.db2.gz ZMOIXBJGRXRDBF-VXGBXAGGSA-N 2 0 235.331 1.191 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C23CCC(O)(CC2)CC3)CC[NH2+]1 ZINC001246262179 987656270 /nfs/dbraw/zinc/65/62/70/987656270.db2.gz APUMJRQIOARDFQ-KBHBFKLGSA-N 2 0 238.375 1.554 20 0 BDADRP CCC[NH2+]CCN[C@@H]1CC[NH2+][C@H](CC)C1 ZINC001246268003 987662079 /nfs/dbraw/zinc/66/20/79/987662079.db2.gz GNUDEZHMVQSBAV-VXGBXAGGSA-N 2 0 213.369 1.106 20 0 BDADRP CCC[NH2+]CCN[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246272035 987666926 /nfs/dbraw/zinc/66/69/26/987666926.db2.gz STEJYCYZVMLFRE-LLVKDONJSA-N 2 0 213.369 1.106 20 0 BDADRP COc1ccc(CC[NH2+][C@@H]2CC[NH2+][C@H](C)C2)nc1 ZINC001246274670 987669456 /nfs/dbraw/zinc/66/94/56/987669456.db2.gz ZPYOSCSOJXVKAZ-DGCLKSJQSA-N 2 0 249.358 1.363 20 0 BDADRP C[NH2+]CC[C@@H](C)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001246277435 987672503 /nfs/dbraw/zinc/67/25/03/987672503.db2.gz JEHQGEAHYMMWCV-DOMZBBRYSA-N 2 0 247.386 1.289 20 0 BDADRP C[NH2+]C1CCC([NH2+]CC2([NH3+])CCCCC2)CC1 ZINC001246281115 987675508 /nfs/dbraw/zinc/67/55/08/987675508.db2.gz ZMLBHMBMKUGQOF-UHFFFAOYSA-N 3 0 239.407 1.768 20 0 BDADRP [NH3+][C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC001246286896 987682618 /nfs/dbraw/zinc/68/26/18/987682618.db2.gz FCDTUNMGCBSXJN-IXXDHKBRSA-N 2 0 245.370 1.559 20 0 BDADRP CC1(C)C[C@H]([NH2+]C2CC[NH2+]CC2)C(C)(C)N1O ZINC001246291990 987683551 /nfs/dbraw/zinc/68/35/51/987683551.db2.gz VUIJXZBPYYGRND-NSHDSACASA-N 2 0 241.379 1.349 20 0 BDADRP C[C@@H]1CC[C@H](NC[C@@H]([NH3+])c2ccccc2)C[NH2+]1 ZINC001246296090 987691454 /nfs/dbraw/zinc/69/14/54/987691454.db2.gz ZONLAQNUIZMQSX-KWCYVHTRSA-N 2 0 233.359 1.417 20 0 BDADRP CCOC(=O)C[C@H]1CC[C@@H]([NH2+]CC[C@H](C)[NH3+])C1 ZINC001246300004 987692686 /nfs/dbraw/zinc/69/26/86/987692686.db2.gz LGNBLVLBNTZTKA-SDDRHHMPSA-N 2 0 242.363 1.435 20 0 BDADRP CC[C@@H]1C[C@H](N[C@@H](C)CC[NH3+])C[C@H](CC)[NH2+]1 ZINC001246301681 987697289 /nfs/dbraw/zinc/69/72/89/987697289.db2.gz UVSQUMQTHALNTE-WUHRBBMRSA-N 2 0 227.396 1.623 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCc2ncsc2C1 ZINC001246300086 987698764 /nfs/dbraw/zinc/69/87/64/987698764.db2.gz LMYUUHZHRXUGIR-DTWKUNHWSA-N 2 0 225.361 1.327 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC[C@H]2C)CC[NH2+]1 ZINC001246304051 987701475 /nfs/dbraw/zinc/70/14/75/987701475.db2.gz GKTJIWQDNNDPPJ-WISYIIOYSA-N 2 0 212.337 1.142 20 0 BDADRP CCCC[C@H]1C[C@H](NCC[C@@H](C)[NH3+])CC[NH2+]1 ZINC001246303345 987701490 /nfs/dbraw/zinc/70/14/90/987701490.db2.gz HNPSPSMMJSMMAP-FRRDWIJNSA-N 2 0 227.396 1.624 20 0 BDADRP C[C@H]([NH3+])CCN[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246307640 987708639 /nfs/dbraw/zinc/70/86/39/987708639.db2.gz ZWXGISGYLMFYJB-STQMWFEESA-N 2 0 239.407 1.768 20 0 BDADRP CC[C@H](C[NH3+])N[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246309889 987712246 /nfs/dbraw/zinc/71/22/46/987712246.db2.gz BKQQHWQINMRAKJ-CHWSQXEVSA-N 2 0 239.407 1.768 20 0 BDADRP CCCC[C@H]1C[C@H](N[C@H]2CCC[C@@H]2[NH3+])CC[NH2+]1 ZINC001246310143 987712628 /nfs/dbraw/zinc/71/26/28/987712628.db2.gz MRIXLSDMSSVFSG-CRWXNKLISA-N 2 0 239.407 1.767 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246311558 987712702 /nfs/dbraw/zinc/71/27/02/987712702.db2.gz PPXGJEKUMIAPDF-FQUUOJAGSA-N 2 0 239.407 1.623 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@H]1Cc2cccc(F)c2C1 ZINC001246311414 987713351 /nfs/dbraw/zinc/71/33/51/987713351.db2.gz CJXICFCCZURZEH-QWRGUYRKSA-N 2 0 222.307 1.620 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@@H]1Cc2ccc(OC)cc2C1 ZINC001246312686 987715411 /nfs/dbraw/zinc/71/54/11/987715411.db2.gz GYGTZZAIGQNBNU-CHWSQXEVSA-N 2 0 234.343 1.489 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001246316184 987715859 /nfs/dbraw/zinc/71/58/59/987715859.db2.gz YILGQMBGDFZAHZ-LMLFDSFASA-N 2 0 200.326 1.269 20 0 BDADRP CC[C@H](C[NH3+])N[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246319895 987725504 /nfs/dbraw/zinc/72/55/04/987725504.db2.gz WFPCWHUGUHPLDI-WOPDTQHZSA-N 2 0 227.396 1.480 20 0 BDADRP C[NH2+]Cc1cccc(CN[C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC001246321214 987728810 /nfs/dbraw/zinc/72/88/10/987728810.db2.gz AVFXKHQPHXEISD-IUODEOHRSA-N 2 0 247.386 1.636 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N[C@@H]2CCC[NH2+][C@@H]2C)CC[NH2+]1 ZINC001246323540 987729053 /nfs/dbraw/zinc/72/90/53/987729053.db2.gz BBFHFFXUEFWZJC-RQJABVFESA-N 2 0 239.407 1.493 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246322341 987729404 /nfs/dbraw/zinc/72/94/04/987729404.db2.gz HDTQJIXSRGVANC-GFCCVEGCSA-N 3 0 239.407 1.483 20 0 BDADRP CC[C@H]1C[C@H](N[C@H]2CCC[NH2+][C@@H]2C)CC[NH2+]1 ZINC001246326483 987732058 /nfs/dbraw/zinc/73/20/58/987732058.db2.gz PIPHHBQFWNDUEK-XQHKEYJVSA-N 2 0 225.380 1.247 20 0 BDADRP CC(=O)CC(C)(C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246329555 987735449 /nfs/dbraw/zinc/73/54/49/987735449.db2.gz QYAPDORUTBXFME-FOSCPWQOSA-N 2 0 224.348 1.617 20 0 BDADRP C[C@H]1C[C@H](NC(C)(C)C(C)(C)[NH3+])CC[NH2+]1 ZINC001246336018 987745739 /nfs/dbraw/zinc/74/57/39/987745739.db2.gz NKRBZNOSNLKCRI-VHSXEESVSA-N 2 0 213.369 1.232 20 0 BDADRP CN1CC[C@H]([NH2+][C@@]23CC[C@@]([NH3+])(C2)CCC3)C1 ZINC001246341684 987751863 /nfs/dbraw/zinc/75/18/63/987751863.db2.gz QAOYQDYDZSCJBX-XQQFMLRXSA-N 2 0 223.364 1.084 20 0 BDADRP CC(C)(C)[C@H](C[NH3+])N[C@H]1CCCC[NH2+]C1 ZINC001246349255 987755196 /nfs/dbraw/zinc/75/51/96/987755196.db2.gz XNSIECQUCQYAQR-QWRGUYRKSA-N 2 0 213.369 1.092 20 0 BDADRP C[C@H]1C[C@H]([NH2+]Cc2cccc(CCO)c2)CC[NH2+]1 ZINC001246354264 987759950 /nfs/dbraw/zinc/75/99/50/987759950.db2.gz DGLDBGBQGBNFEI-SWLSCSKDSA-N 2 0 248.370 1.452 20 0 BDADRP C[N@H+](CCCC[NH2+][C@H]1C[C@@H]2COC[C@@H]21)C1CC1 ZINC001474566796 987762107 /nfs/dbraw/zinc/76/21/07/987762107.db2.gz QTBRWIQLKVOCKO-XBFCOCLRSA-N 2 0 238.375 1.485 20 0 BDADRP C[C@H]1C[C@H](n2c(C[NH3+])cc3ccncc32)CC[NH2+]1 ZINC001246364725 987770476 /nfs/dbraw/zinc/77/04/76/987770476.db2.gz UBIDYNWWFAWFMC-CMPLNLGQSA-N 2 0 244.342 1.808 20 0 BDADRP C[C@@H]1CC[C@@H](N[C@H]2CC[NH2+]CC2(C)C)C[NH2+]1 ZINC001246375443 987774278 /nfs/dbraw/zinc/77/42/78/987774278.db2.gz ZRPDJJOSFGOPQA-UTUOFQBUSA-N 2 0 225.380 1.105 20 0 BDADRP CCCC[C@@H](CCC)[NH2+]CCNCC[NH3+] ZINC001246402755 987783585 /nfs/dbraw/zinc/78/35/85/987783585.db2.gz BJRABBWWHOSMES-GFCCVEGCSA-N 2 0 215.385 1.483 20 0 BDADRP CCCCCC[C@H](CC)[NH2+]CCNCC[NH3+] ZINC001246406813 987787712 /nfs/dbraw/zinc/78/77/12/987787712.db2.gz UZAUSNLQCROMAW-ZDUSSCGKSA-N 2 0 229.412 1.873 20 0 BDADRP CCC1CCC([NH2+]CCNCC[NH3+])CC1 ZINC001246405357 987788678 /nfs/dbraw/zinc/78/86/78/987788678.db2.gz NSBXIHYCFGIFSQ-UHFFFAOYSA-N 2 0 213.369 1.093 20 0 BDADRP CCC1(C[NH2+]C2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001246424518 987793551 /nfs/dbraw/zinc/79/35/51/987793551.db2.gz UZTFFJGICJAXRP-UHFFFAOYSA-N 3 0 225.380 1.108 20 0 BDADRP CCC1(C[NH2+][C@H]2C[NH2+][C@H](C)C2)CC[NH2+]CC1 ZINC001246423899 987794185 /nfs/dbraw/zinc/79/41/85/987794185.db2.gz RRVQYRKGWRXCMM-VXGBXAGGSA-N 3 0 225.380 1.106 20 0 BDADRP CCC1(C[NH2+][C@@H]2CC[C@H](C)NC2)CC[NH2+]CC1 ZINC001246425825 987794754 /nfs/dbraw/zinc/79/47/54/987794754.db2.gz ZOWOIKVCADQGEP-QWHCGFSZSA-N 2 0 239.407 1.496 20 0 BDADRP CCC1(C[NH2+][C@H]2CC[C@H](C)NC2)CC[NH2+]CC1 ZINC001246425827 987795206 /nfs/dbraw/zinc/79/52/06/987795206.db2.gz ZOWOIKVCADQGEP-STQMWFEESA-N 2 0 239.407 1.496 20 0 BDADRP CC(C)COCC[C@H](C)[NH2+][C@@H]1CC12C[NH2+]C2 ZINC001246444333 987802812 /nfs/dbraw/zinc/80/28/12/987802812.db2.gz KHLQUCOHVOTJDU-NWDGAFQWSA-N 2 0 226.364 1.389 20 0 BDADRP CSC(C)(C)C[C@@H](C)[NH2+][C@H]1CC12C[NH2+]C2 ZINC001246444815 987802877 /nfs/dbraw/zinc/80/28/77/987802877.db2.gz LTWKWXONHNSMMZ-ZJUUUORDSA-N 2 0 228.405 1.858 20 0 BDADRP CCSC[C@@H](C)[NH2+]CCCNCCC[NH3+] ZINC001246450068 987804807 /nfs/dbraw/zinc/80/48/07/987804807.db2.gz AFAQDUULHPLGJH-LLVKDONJSA-N 2 0 233.425 1.046 20 0 BDADRP C[C@@H]1CCC[C@@H]([NH2+]CCCNCCC[NH3+])C1 ZINC001246453946 987808304 /nfs/dbraw/zinc/80/83/04/987808304.db2.gz RKEVRXKCCNEVTH-CHWSQXEVSA-N 2 0 227.396 1.483 20 0 BDADRP CC(C)[NH2+]CCN[C@@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246452310 987808544 /nfs/dbraw/zinc/80/85/44/987808544.db2.gz JVTWTJWYDRQFKQ-OLZOCXBDSA-N 2 0 227.396 1.351 20 0 BDADRP Fc1ccc2c(c1)C[C@H]([NH2+]C1CC[NH2+]CC1)C2 ZINC001246452277 987809478 /nfs/dbraw/zinc/80/94/78/987809478.db2.gz JNTLIENOWPOSCY-CQSZACIVSA-N 2 0 234.318 1.635 20 0 BDADRP C[C@]1(CN[C@@H]2CC[NH2+]C(C)(C)C2)CCC[NH2+]1 ZINC001246455816 987811806 /nfs/dbraw/zinc/81/18/06/987811806.db2.gz KIEBKSOBHXYYFV-DGCLKSJQSA-N 2 0 225.380 1.249 20 0 BDADRP CC[C@@]1(CNC2C[C@@H](C)[NH2+][C@H](C)C2)CCC[NH2+]1 ZINC001246456823 987812069 /nfs/dbraw/zinc/81/20/69/987812069.db2.gz OUPMNXYTBCOMFW-BZPMIXESSA-N 2 0 239.407 1.637 20 0 BDADRP CC[C@H]1CC[C@H]([NH2+]CCC[NH2+]CCCC[NH3+])C1 ZINC001246455497 987812197 /nfs/dbraw/zinc/81/21/97/987812197.db2.gz GBAFGRBXJTVMTD-KBPBESRZSA-N 3 0 241.423 1.873 20 0 BDADRP CCC[C@@H](CC)[NH2+]CCCNCCC[NH3+] ZINC001246456099 987813327 /nfs/dbraw/zinc/81/33/27/987813327.db2.gz YWMVVKSRVUZMOL-GFCCVEGCSA-N 2 0 215.385 1.483 20 0 BDADRP C[NH2+]CC[C@@H](C)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001246458766 987816604 /nfs/dbraw/zinc/81/66/04/987816604.db2.gz BSKROZKUJQYNSF-TZMCWYRMSA-N 2 0 239.407 1.496 20 0 BDADRP CC[C@@]1(CN[C@H]2CCC[NH2+]CC2)CCC[NH2+]1 ZINC001246457257 987817176 /nfs/dbraw/zinc/81/71/76/987817176.db2.gz RFRGURMJEAMSAJ-STQMWFEESA-N 2 0 225.380 1.250 20 0 BDADRP CCCC(C[NH3+])(CCC)N[C@@H]1CC[NH2+]C1 ZINC001246495461 987817369 /nfs/dbraw/zinc/81/73/69/987817369.db2.gz KZGFUMKMXIDSFY-LLVKDONJSA-N 2 0 213.369 1.236 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+][C@H]1C[C@@H]2COC[C@@H]21 ZINC001474759638 987818283 /nfs/dbraw/zinc/81/82/83/987818283.db2.gz RYCIKIKYRNLBCB-CRWXNKLISA-N 2 0 240.391 1.731 20 0 BDADRP C[NH2+][C@H]1C[C@H]([NH2+][C@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246460502 987818692 /nfs/dbraw/zinc/81/86/92/987818692.db2.gz JHFGTWPZAPNJEN-AVGNSLFASA-N 3 0 237.391 1.249 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H]([NH+](C)C)CC2)CC[NH2+]1 ZINC001246461445 987820544 /nfs/dbraw/zinc/82/05/44/987820544.db2.gz IXQHHNKHHIOLSG-MQYQWHSLSA-N 3 0 239.407 1.589 20 0 BDADRP [NH3+]Cc1ccc(N[C@@H]2CCC[NH2+]C2)cc1F ZINC001246465328 987823307 /nfs/dbraw/zinc/82/33/07/987823307.db2.gz VSHMBZRYWWWTSZ-LLVKDONJSA-N 2 0 223.295 1.448 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCN3)CC[NH2+]1 ZINC001246470972 987828536 /nfs/dbraw/zinc/82/85/36/987828536.db2.gz ARYOVPBADKYANG-RISCZKNCSA-N 2 0 245.370 1.885 20 0 BDADRP F[C@H]1C[NH2+]CC[C@H]1C[NH2+][C@H]1CCCSC1 ZINC001246475465 987831955 /nfs/dbraw/zinc/83/19/55/987831955.db2.gz GHMVWOPEGXHZDG-DCAQKATOSA-N 2 0 232.368 1.419 20 0 BDADRP CCOCC[C@H](C)[NH2+]C[C@@H]1CC[NH2+]C[C@@H]1F ZINC001246476166 987833827 /nfs/dbraw/zinc/83/38/27/987833827.db2.gz KJFYHYWJWARRHZ-SRVKXCTJSA-N 2 0 232.343 1.339 20 0 BDADRP CC1(C)C[C@@H]([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)CO1 ZINC001246477357 987834050 /nfs/dbraw/zinc/83/40/50/987834050.db2.gz ONBLGFKNULMVHT-AXFHLTTASA-N 2 0 230.327 1.091 20 0 BDADRP CCC[C@@H](C)[NH2+]C[C@@H]1CC[NH2+]C[C@@H]1F ZINC001246477342 987835238 /nfs/dbraw/zinc/83/52/38/987835238.db2.gz OKLDCVFELSCNEV-VWYCJHECSA-N 2 0 202.317 1.712 20 0 BDADRP C[C@H](Cc1ccncc1)[NH2+][C@H]1CCCC[C@H]1[NH3+] ZINC001246478365 987836839 /nfs/dbraw/zinc/83/68/39/987836839.db2.gz OFTGFVJDALNMAA-BNOWGMLFSA-N 2 0 233.359 1.872 20 0 BDADRP CC[C@H]1C[C@H](N[C@H]2CCCC[C@H]2[NH3+])CC[NH2+]1 ZINC001246478336 987838715 /nfs/dbraw/zinc/83/87/15/987838715.db2.gz NZKOJHARIOAQOQ-LOWDOPEQSA-N 2 0 225.380 1.377 20 0 BDADRP [NH3+]Cc1ccc(CC[NH2+]C2CC[NH2+]CC2)cc1 ZINC001246481854 987840860 /nfs/dbraw/zinc/84/08/60/987840860.db2.gz DGEJTBAHSRMGTM-UHFFFAOYSA-N 3 0 233.359 1.029 20 0 BDADRP CCOC(=O)CC1([NH2+][C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246493044 987848106 /nfs/dbraw/zinc/84/81/06/987848106.db2.gz XLWAWDZHLSUKOX-QWRGUYRKSA-N 2 0 240.347 1.202 20 0 BDADRP CC(C)(C)[C@@H]1C[C@@H](NC23CC([NH3+])(C2)C3)CC[NH2+]1 ZINC001246501129 987855631 /nfs/dbraw/zinc/85/56/31/987855631.db2.gz KYLUDYZRPPMGIB-BCVKRFQSSA-N 2 0 237.391 1.377 20 0 BDADRP CC(C)[C@H]1C[C@H](N[C@@H]2C[NH2+]C[C@H](C)C2)CC[NH2+]1 ZINC001246500671 987857340 /nfs/dbraw/zinc/85/73/40/987857340.db2.gz XXWHBXPGRZPACC-YIYPIFLZSA-N 2 0 239.407 1.351 20 0 BDADRP CC(C)N([C@@H]1CCC[NH2+]C1)C(C)(C)C[NH3+] ZINC001246503744 987857494 /nfs/dbraw/zinc/85/74/94/987857494.db2.gz MSMSQJZPBSAFEV-LLVKDONJSA-N 2 0 213.369 1.186 20 0 BDADRP CCCC[C@@H]1C[C@H](N(C)CC[NH3+])CC[NH2+]1 ZINC001246522148 987858417 /nfs/dbraw/zinc/85/84/17/987858417.db2.gz ADKDXIIOKLQTMK-VXGBXAGGSA-N 2 0 213.369 1.188 20 0 BDADRP C[C@H]1CC[C@@H](NC[C@@H](CO)c2ccccc2)C[NH2+]1 ZINC001246504364 987859785 /nfs/dbraw/zinc/85/97/85/987859785.db2.gz PUGLIGHPALONAT-AEGPPILISA-N 2 0 248.370 1.493 20 0 BDADRP CCCC[C@@H]1C[C@@H](NCC2([NH3+])CCC2)CC[NH2+]1 ZINC001246509431 987861864 /nfs/dbraw/zinc/86/18/64/987861864.db2.gz HVCJNKMYLCBDFB-OLZOCXBDSA-N 2 0 239.407 1.768 20 0 BDADRP C[C@@H]1CCC[C@H](C)[N@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246520716 987868157 /nfs/dbraw/zinc/86/81/57/987868157.db2.gz VMECDXCLVXAEFX-FRRDWIJNSA-N 2 0 237.391 1.343 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2CCC[NH2+]CC2)CC[NH2+]1 ZINC001246521860 987871915 /nfs/dbraw/zinc/87/19/15/987871915.db2.gz BEAMJDWQHKCQGY-OLZOCXBDSA-N 2 0 225.380 1.058 20 0 BDADRP CC[C@@H]1C[C@@H](N(C)CC[NH2+]C)C[C@H](CC)[NH2+]1 ZINC001246522969 987872705 /nfs/dbraw/zinc/87/27/05/987872705.db2.gz KLUDCPRROJWTSX-CLLJXQQHSA-N 2 0 227.396 1.447 20 0 BDADRP CCCC[C@@H]1C[C@@H](N(C)CC[NH3+])CC[NH2+]1 ZINC001246522134 987873262 /nfs/dbraw/zinc/87/32/62/987873262.db2.gz ADKDXIIOKLQTMK-NEPJUHHUSA-N 2 0 213.369 1.188 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N1CCC[NH2+]CC1 ZINC001246524595 987875320 /nfs/dbraw/zinc/87/53/20/987875320.db2.gz MXIXJJASNRUUIZ-ZDUSSCGKSA-N 2 0 227.396 1.402 20 0 BDADRP CC[C@H](C)OCC[C@@H](C)N1CCC[NH2+]CC1 ZINC001246524364 987875457 /nfs/dbraw/zinc/87/54/57/987875457.db2.gz ITDBGDFKXKRRJR-OLZOCXBDSA-N 2 0 228.380 1.875 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N1CCC[NH2+]CC1 ZINC001246524589 987876226 /nfs/dbraw/zinc/87/62/26/987876226.db2.gz MXIXJJASNRUUIZ-CYBMUJFWSA-N 2 0 227.396 1.402 20 0 BDADRP CCCC[C@@H]1C[C@H](N2C[C@@H](F)[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246526225 987879304 /nfs/dbraw/zinc/87/93/04/987879304.db2.gz NZQQLHGNIDZUOT-LPWJVIDDSA-N 2 0 243.370 1.278 20 0 BDADRP C[C@H]1C[C@H](n2ccnc2CCC[NH3+])CC[NH2+]1 ZINC001246528308 987883835 /nfs/dbraw/zinc/88/38/35/987883835.db2.gz VUJPJYMZGFDCPT-WDEREUQCSA-N 2 0 222.336 1.087 20 0 BDADRP COC(=O)CCCC[C@H](C)[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001246530578 987885474 /nfs/dbraw/zinc/88/54/74/987885474.db2.gz NCURHWXPLZUDSM-WCQYABFASA-N 2 0 242.363 1.531 20 0 BDADRP c1cnc2c(c1)CN(C1CC[NH2+]CC1)C2 ZINC001246529927 987885933 /nfs/dbraw/zinc/88/59/33/987885933.db2.gz UYMJPBYLZQOCGG-UHFFFAOYSA-N 2 0 203.289 1.149 20 0 BDADRP C1CC2(C1)CCC[C@H]2[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246532526 987888960 /nfs/dbraw/zinc/88/89/60/987888960.db2.gz RIDGTEZYFUXRMR-QWHCGFSZSA-N 2 0 249.402 1.393 20 0 BDADRP CC[C@@H]1C[C@@H](N2CC[NH2+]CC2)C[C@H](CC)[NH2+]1 ZINC001246531536 987889843 /nfs/dbraw/zinc/88/98/43/987889843.db2.gz UYJKRORNBUACND-CLLJXQQHSA-N 2 0 225.380 1.201 20 0 BDADRP CCOC(=O)CC[C@@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC001246538633 987898004 /nfs/dbraw/zinc/89/80/04/987898004.db2.gz OXXWDLZBSYTYQQ-LLVKDONJSA-N 2 0 242.363 1.389 20 0 BDADRP CCOCC[C@@H](C)[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246538181 987899225 /nfs/dbraw/zinc/89/92/25/987899225.db2.gz ARYLYBBGJZSQAL-QJPTWQEYSA-N 2 0 214.353 1.328 20 0 BDADRP C[C@@]1([NH3+])CC[N@@H+](C2CCC3(CC[NH2+]C3)CC2)C1 ZINC001246537193 987899287 /nfs/dbraw/zinc/89/92/87/987899287.db2.gz YXDXTGQYQUNLHH-ROKHWSDSSA-N 3 0 237.391 1.332 20 0 BDADRP C[C@@H]1CC(N2CCCC[C@@H]2C[NH3+])C[C@@H](C)[NH2+]1 ZINC001246540240 987906258 /nfs/dbraw/zinc/90/62/58/987906258.db2.gz MFWLTRZPUUBRJH-IJLUTSLNSA-N 2 0 225.380 1.329 20 0 BDADRP CCOCC[C@@H](C)[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001246541577 987907840 /nfs/dbraw/zinc/90/78/40/987907840.db2.gz MFGXFHMFEOQJJX-NEPJUHHUSA-N 2 0 214.353 1.615 20 0 BDADRP CCOCC[C@H](C)[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246541579 987910262 /nfs/dbraw/zinc/91/02/62/987910262.db2.gz MFGXFHMFEOQJJX-NWDGAFQWSA-N 2 0 214.353 1.615 20 0 BDADRP [NH3+][C@H]1CCC[N@@H+]([C@H]2CCCOCC2)CC1 ZINC001246541081 987910659 /nfs/dbraw/zinc/91/06/59/987910659.db2.gz LMYQWBAKRUCXRZ-RYUDHWBXSA-N 2 0 212.337 1.369 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCN1[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246542436 987910898 /nfs/dbraw/zinc/91/08/98/987910898.db2.gz KPWGADQRSDHJSD-YVECIDJPSA-N 2 0 239.407 1.575 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246541048 987913797 /nfs/dbraw/zinc/91/37/97/987913797.db2.gz YCZACPDUDHHBLZ-MJBXVCDLSA-N 2 0 241.423 1.918 20 0 BDADRP CC1(C)C[C@@H](N2CCCC[C@H]2C[NH3+])CC[NH2+]1 ZINC001246544431 987922920 /nfs/dbraw/zinc/92/29/20/987922920.db2.gz VYMQMGKCJTVFFD-RYUDHWBXSA-N 2 0 225.380 1.330 20 0 BDADRP CC[C@@H]1CC[C@H]([N@@H+]2CCC[C@@](O)(C[NH3+])CC2)C1 ZINC001246547171 987931529 /nfs/dbraw/zinc/93/15/29/987931529.db2.gz BQGMDOVXGOWCOB-RDBSUJKOSA-N 2 0 240.391 1.741 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]([NH3+])CC2)CCO1 ZINC001246548393 987936097 /nfs/dbraw/zinc/93/60/97/987936097.db2.gz TVLOEZJUKZTTEZ-WOPDTQHZSA-N 2 0 212.337 1.367 20 0 BDADRP C[C@@H](Cc1ccco1)N1CC[C@@H]([NH3+])[C@H]1C ZINC001246550942 987945354 /nfs/dbraw/zinc/94/53/54/987945354.db2.gz RHTNOCNNDGLHST-HOSYDEDBSA-N 2 0 208.305 1.632 20 0 BDADRP C[C@@H]1CC[C@H](N2CC[C@H](C)[C@@H](C[NH3+])C2)C[NH2+]1 ZINC001246552472 987950905 /nfs/dbraw/zinc/95/09/05/987950905.db2.gz PGEUTPKJSCVWIW-RNJOBUHISA-N 2 0 225.380 1.044 20 0 BDADRP C[C@]1([NH3+])CCC[N@@H+]([C@@H]2CCCOCC2)CC1 ZINC001246553431 987956500 /nfs/dbraw/zinc/95/65/00/987956500.db2.gz RVWKXLZPNYQYLF-OLZOCXBDSA-N 2 0 226.364 1.759 20 0 BDADRP C[NH+]1CCC(N2CCC[C@](C)([NH3+])CC2)CC1 ZINC001246553421 987958940 /nfs/dbraw/zinc/95/89/40/987958940.db2.gz RTDAPGBHUYMCOQ-ZDUSSCGKSA-N 2 0 225.380 1.284 20 0 BDADRP C[C@]1([NH3+])CCCN([C@@H]2CCCC[NH2+]C2)CC1 ZINC001246553463 987959218 /nfs/dbraw/zinc/95/92/18/987959218.db2.gz SLXIQTIZSBYQKV-OLZOCXBDSA-N 2 0 225.380 1.332 20 0 BDADRP C[C@@H]1CC[N@@H+]([C@@H]2CCCOC2)CC[C@H]1C[NH3+] ZINC001246555434 987964654 /nfs/dbraw/zinc/96/46/54/987964654.db2.gz FDVLLTWPBMAWRS-FRRDWIJNSA-N 2 0 226.364 1.472 20 0 BDADRP C[C@@H]1CC[C@H](N2CCC[C@@](C)([NH3+])CC2)C[NH2+]1 ZINC001246556437 987967339 /nfs/dbraw/zinc/96/73/39/987967339.db2.gz ZVWOONKMMCYDHM-FRRDWIJNSA-N 2 0 225.380 1.330 20 0 BDADRP COC(=O)c1cccc(C[NH2+][C@@H](C)CC[NH3+])c1 ZINC001117953465 987969610 /nfs/dbraw/zinc/96/96/10/987969610.db2.gz HQXMSZCZOYZBME-JTQLQIEISA-N 2 0 236.315 1.300 20 0 BDADRP C[C@@H]1CC[N@@H+]([C@@H]2CCCN(C)C2)CC[C@@H]1C[NH3+] ZINC001246555713 987970201 /nfs/dbraw/zinc/97/02/01/987970201.db2.gz FUARHRIWEPLCCR-MGPQQGTHSA-N 2 0 239.407 1.387 20 0 BDADRP CCCCC[C@H](CC)[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246557771 987974967 /nfs/dbraw/zinc/97/49/67/987974967.db2.gz HJXHXFVAAJOTLC-YNEHKIRRSA-N 2 0 228.380 1.739 20 0 BDADRP CC[C@@H]1C[C@H](N2CCCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246557780 987979320 /nfs/dbraw/zinc/97/93/20/987979320.db2.gz HNQYGYQFOHOCKY-JHJVBQTASA-N 2 0 225.380 1.330 20 0 BDADRP C[NH2+]CC[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001246560604 987985488 /nfs/dbraw/zinc/98/54/88/987985488.db2.gz QPZMZOQXQUPXPA-RWMBFGLXSA-N 3 0 227.396 1.291 20 0 BDADRP CCN1CC[C@H]([N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)C1 ZINC001246561747 987990687 /nfs/dbraw/zinc/99/06/87/987990687.db2.gz LAXDLWAUHFLTLI-MJBXVCDLSA-N 2 0 239.407 1.387 20 0 BDADRP [NH3+][C@@H]1CCCCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246560679 987994465 /nfs/dbraw/zinc/99/44/65/987994465.db2.gz SBRSILSZDPGBNM-FKJOKYEKSA-N 2 0 223.364 1.083 20 0 BDADRP C[C@H]1C[C@H]([N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)CC[NH2+]1 ZINC001246563951 988014254 /nfs/dbraw/zinc/01/42/54/988014254.db2.gz YHIVVAFXSXOVBQ-ZOBORPQBSA-N 3 0 239.407 1.434 20 0 BDADRP CC[N@@H+]1CC[C@H](N2C[C@H](C)CC[C@H]2C[NH3+])C1 ZINC001246566748 988025305 /nfs/dbraw/zinc/02/53/05/988025305.db2.gz IMMKSQYGPWZRGX-AGIUHOORSA-N 2 0 225.380 1.140 20 0 BDADRP C[N@@H+]1CCC[C@@H](N2CCCC[C@@](F)(C[NH3+])C2)C1 ZINC001246573447 988069869 /nfs/dbraw/zinc/06/98/69/988069869.db2.gz COQFZENLOMTWPH-CHWSQXEVSA-N 2 0 243.370 1.234 20 0 BDADRP CN1CCC([N@@H+]2CCC[C@](C)(C[NH3+])CC2)CC1 ZINC001246577775 988087518 /nfs/dbraw/zinc/08/75/18/988087518.db2.gz PJTNOQNAZDUVQZ-AWEZNQCLSA-N 2 0 239.407 1.532 20 0 BDADRP CC(C)[C@H]1C[C@@H](N2CC[NH2+][C@H](C)C2)CC[NH2+]1 ZINC001246578566 988094117 /nfs/dbraw/zinc/09/41/17/988094117.db2.gz VUIVHSXSDLLATI-FRRDWIJNSA-N 2 0 225.380 1.057 20 0 BDADRP CC1(C)CCC([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246578862 988100884 /nfs/dbraw/zinc/10/08/84/988100884.db2.gz IADOLAGIJZQHPL-JQWIXIFHSA-N 2 0 226.364 1.207 20 0 BDADRP C[C@]1(C[NH3+])CCCCN([C@@H]2CCCC[NH2+]C2)C1 ZINC001246579724 988105615 /nfs/dbraw/zinc/10/56/15/988105615.db2.gz GRYFBFOPYDJLHC-ZIAGYGMSSA-N 2 0 239.407 1.579 20 0 BDADRP CCCC[C@H](CC(C)C)[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246582295 988109788 /nfs/dbraw/zinc/10/97/88/988109788.db2.gz WITBRLAOQYTDDT-BFHYXJOUSA-N 2 0 242.407 1.843 20 0 BDADRP CC[C@H](C[C@@H](C)CC)[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246582766 988120471 /nfs/dbraw/zinc/12/04/71/988120471.db2.gz HMMUSGYRGBYLFM-RVMXOQNASA-N 2 0 228.380 1.453 20 0 BDADRP CCC[C@@H](C)CC[C@@H](C)[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246583659 988121363 /nfs/dbraw/zinc/12/13/63/988121363.db2.gz KPRXBIDGIPROGO-YIYPIFLZSA-N 2 0 242.407 1.843 20 0 BDADRP C[C@@]1(C[NH3+])CCCCN([C@@H]2CCC[NH2+]CC2)C1 ZINC001246583244 988126609 /nfs/dbraw/zinc/12/66/09/988126609.db2.gz IXHRLMQUDMXJRS-KGLIPLIRSA-N 2 0 239.407 1.579 20 0 BDADRP CCCCC[C@H](CC)[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246585287 988139007 /nfs/dbraw/zinc/13/90/07/988139007.db2.gz NHCKIKKIRRWEGH-RWMBFGLXSA-N 2 0 228.380 1.597 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@](F)(CO)CC2)CC[NH2+]1 ZINC001246587708 988144342 /nfs/dbraw/zinc/14/43/42/988144342.db2.gz IMNLFICENMEXTP-JHJVBQTASA-N 2 0 244.354 1.313 20 0 BDADRP C[C@]1(C[NH3+])CCCCN(C2C[C@@H]3C=C[C@H](C2)[NH2+]3)C1 ZINC001246588739 988157186 /nfs/dbraw/zinc/15/71/86/988157186.db2.gz CICBXTHVGCOQQY-IZGVIRRGSA-N 2 0 249.402 1.496 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@](C)(O)[C@@H](C)C2)CC[NH2+]1 ZINC001246591691 988178847 /nfs/dbraw/zinc/17/88/47/988178847.db2.gz NNZMVYXBJYZYJS-DGAVXFQQSA-N 2 0 240.391 1.610 20 0 BDADRP CC1(C[NH3+])C[NH+](C2CCC3(CC3)CC2)C1 ZINC001246598895 988194023 /nfs/dbraw/zinc/19/40/23/988194023.db2.gz PHWMRIFGHAICIQ-UHFFFAOYSA-N 2 0 208.349 1.990 20 0 BDADRP C1C[C@H]2CC(N3CC[C@@]4(C3)CCC[NH2+]C4)C[C@@H]1[NH2+]2 ZINC001246599223 988207395 /nfs/dbraw/zinc/20/73/95/988207395.db2.gz BGNJSUVJXKKYGT-IXXDHKBRSA-N 2 0 249.402 1.345 20 0 BDADRP CCCC[C@@H](C)[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246604138 988213513 /nfs/dbraw/zinc/21/35/13/988213513.db2.gz NHBAQRCDGLPPDX-CYBMUJFWSA-N 2 0 239.407 1.593 20 0 BDADRP CC(C)[C@H]1C[C@H](N2CC(C)(C[NH3+])C2)CC[NH2+]1 ZINC001246603646 988216267 /nfs/dbraw/zinc/21/62/67/988216267.db2.gz ZZHHUJOAYNZZJI-VXGBXAGGSA-N 2 0 225.380 1.044 20 0 BDADRP CC(C)(C)[C@@H]1C[C@H](N2CCC23C[NH2+]C3)CC[NH2+]1 ZINC001246609412 988222300 /nfs/dbraw/zinc/22/23/00/988222300.db2.gz YEEZGIGMSDPBBX-NEPJUHHUSA-N 2 0 237.391 1.201 20 0 BDADRP CC(C)(C)[C@H]1C[C@@H](N2CC3(C[NH2+]C3)C2)CC[NH2+]1 ZINC001246614067 988241449 /nfs/dbraw/zinc/24/14/49/988241449.db2.gz NDRVKYBYPSKKPD-NWDGAFQWSA-N 2 0 237.391 1.058 20 0 BDADRP C[NH2+]CC[C@@H](C)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001246624747 988259718 /nfs/dbraw/zinc/25/97/18/988259718.db2.gz RUTIGDQFFCJWGX-CHWSQXEVSA-N 2 0 225.380 1.202 20 0 BDADRP CC[C@H]1C[C@@H]([NH+]2CCC(F)(C[NH3+])CC2)CCO1 ZINC001246629118 988302611 /nfs/dbraw/zinc/30/26/11/988302611.db2.gz PKMUWYUXODXPRC-RYUDHWBXSA-N 2 0 244.354 1.707 20 0 BDADRP C[C@@H]1CC[C@H]([N@H+]2C[C@H]3[C@H](CC3(F)F)C2)C[NH2+]1 ZINC001246630167 988305805 /nfs/dbraw/zinc/30/58/05/988305805.db2.gz HICXIBDCTQHPCA-ZNSHCXBVSA-N 2 0 230.302 1.714 20 0 BDADRP CC1(C)C[C@@H]([N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)CCO1 ZINC001246636981 988327668 /nfs/dbraw/zinc/32/76/68/988327668.db2.gz HZZBRRMGGWLIFX-QJPTWQEYSA-N 2 0 224.348 1.380 20 0 BDADRP C[NH2+]CC[C@H](C)N1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001246637485 988331253 /nfs/dbraw/zinc/33/12/53/988331253.db2.gz ZEOZBRQXGYVRMU-KBPBESRZSA-N 2 0 239.407 1.593 20 0 BDADRP CCOCC[C@H](C)N1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246636969 988333934 /nfs/dbraw/zinc/33/39/34/988333934.db2.gz HPUQIRXEFLFDBK-QJPTWQEYSA-N 2 0 212.337 1.238 20 0 BDADRP C[NH2+]CC[C@@H](C)N1CCCC[C@]12CC[NH2+]C2 ZINC001246642349 988344351 /nfs/dbraw/zinc/34/43/51/988344351.db2.gz IRNKOUVIPWCPBX-CHWSQXEVSA-N 2 0 225.380 1.202 20 0 BDADRP C[C@H]1C[C@@H]([N@@H+]2CCCC[C@@]23CC[NH2+]C3)CCO1 ZINC001246643023 988344767 /nfs/dbraw/zinc/34/47/67/988344767.db2.gz LRMXUVCMIWZZAM-IHRRRGAJSA-N 2 0 238.375 1.772 20 0 BDADRP CC1(C)CC[C@H]([N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)C1 ZINC001246642714 988345895 /nfs/dbraw/zinc/34/58/95/988345895.db2.gz NELSKEBUPXFJOK-JSGCOSHPSA-N 2 0 237.391 1.202 20 0 BDADRP C1C[C@@]2(C[NH2+]1)CCCCN2C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246644998 988353230 /nfs/dbraw/zinc/35/32/30/988353230.db2.gz SNEMQRUYZDPFSW-IZGVIRRGSA-N 2 0 249.402 1.487 20 0 BDADRP CC[N@@H+]1CC[C@@H](N2CCCC[C@@]23CC[NH2+]C3)C1 ZINC001246644073 988356196 /nfs/dbraw/zinc/35/61/96/988356196.db2.gz PMXHXELBSPZFJX-KGLIPLIRSA-N 2 0 237.391 1.299 20 0 BDADRP C1CCC2(CC[NH2+]CC2)N([C@H]2CCC[NH2+]C2)C1 ZINC001246648622 988369442 /nfs/dbraw/zinc/36/94/42/988369442.db2.gz RAPBWOLBYJVQKS-ZDUSSCGKSA-N 2 0 237.391 1.347 20 0 BDADRP C1C[C@]2(C[NH2+]1)CCCCN2[C@@H]1CCC[NH2+]CC1 ZINC001246650283 988370848 /nfs/dbraw/zinc/37/08/48/988370848.db2.gz SQTVYEDXRAGWHR-KGLIPLIRSA-N 2 0 237.391 1.347 20 0 BDADRP C1OCC12CCC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246649412 988371804 /nfs/dbraw/zinc/37/18/04/988371804.db2.gz YVSSGIIWDDALHG-FUNVUKJBSA-N 2 0 236.359 1.382 20 0 BDADRP CCCC[C@H]1C[C@@H]([N@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)CC[NH2+]1 ZINC001246656142 988383064 /nfs/dbraw/zinc/38/30/64/988383064.db2.gz IVDFXZKWGJUXKH-QSLWVIQJSA-N 3 0 237.391 1.186 20 0 BDADRP C1C[C@H]2C[N@@H+]([C@H]3CCC4(C3)CC[NH2+]CC4)C[C@H]2[NH2+]1 ZINC001246655300 988384038 /nfs/dbraw/zinc/38/40/38/988384038.db2.gz YWVZJXLOVQZMMP-MELADBBJSA-N 3 0 249.402 1.202 20 0 BDADRP CC[NH2+]CCN(CC)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001497486645 988385198 /nfs/dbraw/zinc/38/51/98/988385198.db2.gz RGOYFFIZGRBQTE-LBPRGKRZSA-N 2 0 243.395 1.031 20 0 BDADRP FC1(F)CC[C@@H]2C[N@@H+]([C@H]3CCC[NH2+]C3)C[C@@H]21 ZINC001246659832 988390153 /nfs/dbraw/zinc/39/01/53/988390153.db2.gz YGIPGTLEWBGCBL-VWYCJHECSA-N 2 0 230.302 1.716 20 0 BDADRP CC(C)[C@H]1C[C@H](N2CC3(C2)CCC[NH2+]3)CC[NH2+]1 ZINC001246666330 988406484 /nfs/dbraw/zinc/40/64/84/988406484.db2.gz IWZLNIHDQMTYKZ-CHWSQXEVSA-N 2 0 237.391 1.201 20 0 BDADRP CCCC[C@@H]1C[C@H](N2C[C@@H]3C[C@H]2C[NH2+]3)CC[NH2+]1 ZINC001246675285 988420901 /nfs/dbraw/zinc/42/09/01/988420901.db2.gz FGCMHDHUGQGTMO-RQJABVFESA-N 2 0 237.391 1.343 20 0 BDADRP C[C@H]1C[C@@H]([N@H+](C)CC2CC[NH2+]CC2)CC[NH2+]1 ZINC001246677217 988422207 /nfs/dbraw/zinc/42/22/07/988422207.db2.gz HBDADJAJJBAHOK-AAEUAGOBSA-N 3 0 225.380 1.058 20 0 BDADRP CC(C)[C@@H]1CN([C@@H]2CC[C@@H](C)[NH2+]C2)CC[NH2+]1 ZINC001246686408 988429974 /nfs/dbraw/zinc/42/99/74/988429974.db2.gz MRNPJPALRPHUCB-UPJWGTAASA-N 2 0 225.380 1.057 20 0 BDADRP CC(C)[C@@H]1CN([C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC001246685849 988431481 /nfs/dbraw/zinc/43/14/81/988431481.db2.gz KWGYGUYNJVXKGO-CRWXNKLISA-N 2 0 237.391 1.199 20 0 BDADRP CN(CCC[NH3+])[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246681789 988433276 /nfs/dbraw/zinc/43/32/76/988433276.db2.gz QPPRSTXZORJQRV-CABCVRRESA-N 2 0 247.386 1.760 20 0 BDADRP C[C@H]1CC[C@@H](N(C)CC2CC[NH2+]CC2)C[NH2+]1 ZINC001246679782 988433317 /nfs/dbraw/zinc/43/33/17/988433317.db2.gz XTCWBWNPDYXGQW-WCQYABFASA-N 2 0 225.380 1.058 20 0 BDADRP C[C@H]1CCCCC[N@@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246768092 988456302 /nfs/dbraw/zinc/45/63/02/988456302.db2.gz FDCJHGHNCCOYAW-STQMWFEESA-N 2 0 237.391 1.345 20 0 BDADRP CO[C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3CCC[NH2+]C3)C[C@@H]21 ZINC001246761733 988458079 /nfs/dbraw/zinc/45/80/79/988458079.db2.gz WJFVIIRJRJLRKT-YIYPIFLZSA-N 2 0 238.375 1.485 20 0 BDADRP CC[N@H+](C1CCN(C)CC1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246784946 988464155 /nfs/dbraw/zinc/46/41/55/988464155.db2.gz IQRWELCOLISLPY-TZMCWYRMSA-N 2 0 239.407 1.543 20 0 BDADRP CC(C)[N@H+](CC1CC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246790268 988466485 /nfs/dbraw/zinc/46/64/85/988466485.db2.gz MUAFMARPFIYRBS-CYBMUJFWSA-N 2 0 237.391 1.201 20 0 BDADRP CCCC[NH+]1CCN([C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246787483 988467630 /nfs/dbraw/zinc/46/76/30/988467630.db2.gz DSHVDRREUZQUDE-ZIAGYGMSSA-N 2 0 239.407 1.545 20 0 BDADRP CC[C@H]1CN([C@H]2CC[NH2+]C(C)(C)C2)CC[NH2+]1 ZINC001246804616 988483744 /nfs/dbraw/zinc/48/37/44/988483744.db2.gz RJMBRADKNCNERA-RYUDHWBXSA-N 2 0 225.380 1.201 20 0 BDADRP CC[C@@H]1C[NH2+]CCN1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246802611 988484004 /nfs/dbraw/zinc/48/40/04/988484004.db2.gz KJKQQRYOMXTVCS-XJFOESAGSA-N 2 0 237.391 1.343 20 0 BDADRP CC[C@H]1CN(C2CCC3(C[NH2+]C3)CC2)CC[NH2+]1 ZINC001246802152 988485402 /nfs/dbraw/zinc/48/54/02/988485402.db2.gz JRSVSNMBSLDXOP-LBPRGKRZSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@@H]1CC(N2CC[NH2+]CC2(C)C)C[C@@H](C)[NH2+]1 ZINC001246811459 988489221 /nfs/dbraw/zinc/48/92/21/988489221.db2.gz VQHOKLCMLLOICZ-GHMZBOCLSA-N 2 0 225.380 1.199 20 0 BDADRP CC[C@@H]1C[C@@H](N2CC[NH2+]CC2(C)C)CC[NH2+]1 ZINC001246810556 988491285 /nfs/dbraw/zinc/49/12/85/988491285.db2.gz NWTYFNMUMWNNFB-NEPJUHHUSA-N 2 0 225.380 1.201 20 0 BDADRP COC(C)(C)[C@@H]1CCC[N@@H+]1[C@@H]1CCC[NH2+]C1 ZINC001246812329 988497539 /nfs/dbraw/zinc/49/75/39/988497539.db2.gz YUIFUENSWDECDY-NEPJUHHUSA-N 2 0 226.364 1.628 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2C[C@@H]([NH3+])CC[C@H]2C)CC[NH2+]1 ZINC001246822777 988509945 /nfs/dbraw/zinc/50/99/45/988509945.db2.gz MASZKNNWBFBHPT-RQJABVFESA-N 2 0 239.407 1.575 20 0 BDADRP CCCC[C@H]1C[C@@H](N2C[C@@H]([NH3+])[C@@H](F)C2)CC[NH2+]1 ZINC001246820389 988512508 /nfs/dbraw/zinc/51/25/08/988512508.db2.gz NZQQLHGNIDZUOT-ZDEQEGDKSA-N 2 0 243.370 1.278 20 0 BDADRP c1ccc([C@@H]2CN([C@H]3CCC[NH2+]C3)CC[NH2+]2)cc1 ZINC001246827968 988517639 /nfs/dbraw/zinc/51/76/39/988517639.db2.gz PBTQHMGLNJYFCU-GJZGRUSLSA-N 2 0 245.370 1.385 20 0 BDADRP CN(C1C[NH2+]C1)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246829044 988520834 /nfs/dbraw/zinc/52/08/34/988520834.db2.gz IJKWKICWEZDIIT-UHFFFAOYSA-N 2 0 237.391 1.202 20 0 BDADRP C1CC12C[N@@H+]([C@@H]1CCC[C@@]3(CC[NH2+]C3)C1)CCN2 ZINC001246831082 988523773 /nfs/dbraw/zinc/52/37/73/988523773.db2.gz AODRNJKVSBDFMZ-ZIAGYGMSSA-N 2 0 249.402 1.347 20 0 BDADRP CCCC[C@@H](CCC)N(CC[NH3+])CC[NH3+] ZINC001246831344 988525874 /nfs/dbraw/zinc/52/58/74/988525874.db2.gz NOQBXTYZIHVXCC-GFCCVEGCSA-N 2 0 215.385 1.565 20 0 BDADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(=O)[nH]n1 ZINC001323559883 988555670 /nfs/dbraw/zinc/55/56/70/988555670.db2.gz BXGMCSCDPAPGNZ-SNVBAGLBSA-N 2 0 238.335 1.175 20 0 BDADRP CCOCC1CC[NH+]([C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246844023 988558694 /nfs/dbraw/zinc/55/86/94/988558694.db2.gz FRMOVPZUIRVDIU-GXTWGEPZSA-N 2 0 240.391 1.875 20 0 BDADRP CCN([C@@H]1CC[NH2+]C1)[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246850161 988565269 /nfs/dbraw/zinc/56/52/69/988565269.db2.gz JBLWAKLIUCRHGF-VXGBXAGGSA-N 2 0 225.380 1.201 20 0 BDADRP CCN([C@H]1CC[NH2+]C1)C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246853072 988571796 /nfs/dbraw/zinc/57/17/96/988571796.db2.gz SHTZMSJGOINFKC-UTUOFQBUSA-N 2 0 225.380 1.199 20 0 BDADRP CCC[NH+]1CCC(N2C[C@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001246856957 988578414 /nfs/dbraw/zinc/57/84/14/988578414.db2.gz XSQYYOUNPZDYMF-TZMCWYRMSA-N 2 0 237.391 1.284 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001246861395 988599984 /nfs/dbraw/zinc/59/99/84/988599984.db2.gz PEKZVIGNTFRFQB-IHRRRGAJSA-N 2 0 239.407 1.530 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2C[C@H](C)C[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246861449 988603894 /nfs/dbraw/zinc/60/38/94/988603894.db2.gz JQPGXKYUZHJABB-RQJABVFESA-N 2 0 239.407 1.432 20 0 BDADRP [NH3+][C@@]12CC[C@@H]1C[N@@H+](C1CCC3(CC[NH2+]C3)CC1)C2 ZINC001246865048 988610668 /nfs/dbraw/zinc/61/06/68/988610668.db2.gz XPWNYDBFWNKCTD-XSCHDIRWSA-N 3 0 249.402 1.332 20 0 BDADRP CCSC[C@@H](C)N1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246863334 988613827 /nfs/dbraw/zinc/61/38/27/988613827.db2.gz WYLRVTPVGUMSLK-YIBTVLSRSA-N 2 0 244.404 1.034 20 0 BDADRP C1CC1N(C1C[NH2+]C1)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246865710 988619380 /nfs/dbraw/zinc/61/93/80/988619380.db2.gz WPVGLEILOXCHSN-ZDUSSCGKSA-N 2 0 249.402 1.345 20 0 BDADRP CC(C)(C)[C@@H]1C[C@H](N2C[C@H]3C[C@@]3([NH3+])C2)CC[NH2+]1 ZINC001246872496 988636578 /nfs/dbraw/zinc/63/65/78/988636578.db2.gz SBRQGHXREYWXEG-NRWUCQMLSA-N 2 0 237.391 1.186 20 0 BDADRP C[C@H]1C[C@@H]([NH+]2CC3(C2)CC[NH+](C)CC3)CC[NH2+]1 ZINC001246871863 988638619 /nfs/dbraw/zinc/63/86/19/988638619.db2.gz NYKBDOUHIUFJAO-STQMWFEESA-N 3 0 237.391 1.155 20 0 BDADRP CC[C@@H]1C[C@@H](N2C[C@H](C)[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC001246871899 988639754 /nfs/dbraw/zinc/63/97/54/988639754.db2.gz ONAMAWVCFWITQD-RVMXOQNASA-N 2 0 225.380 1.199 20 0 BDADRP C[C@H]1CC[C@@H](N2CC3(C2)CC[NH+](C)CC3)C[NH2+]1 ZINC001246875497 988645580 /nfs/dbraw/zinc/64/55/80/988645580.db2.gz WWRXRENHSFHKPQ-QWHCGFSZSA-N 2 0 237.391 1.155 20 0 BDADRP CC[C@@H]1C[C@@H](N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC001246883062 988649237 /nfs/dbraw/zinc/64/92/37/988649237.db2.gz UHIYSJURCYKYSJ-MQYQWHSLSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](C)N1[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246883870 988650293 /nfs/dbraw/zinc/65/02/93/988650293.db2.gz PJUNVVPQXVAOBT-POQQGIQPSA-N 2 0 237.391 1.342 20 0 BDADRP CCN(CC[NH2+]C)[C@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246893547 988663643 /nfs/dbraw/zinc/66/36/43/988663643.db2.gz WTAHWLWCNVNHSZ-STQMWFEESA-N 2 0 227.396 1.304 20 0 BDADRP CCCN(C1CC[NH2+]CC1)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246897017 988668167 /nfs/dbraw/zinc/66/81/67/988668167.db2.gz IPAVYXHHANQKQK-GXTWGEPZSA-N 3 0 239.407 1.591 20 0 BDADRP CC(=O)[C@H]1CC[N@@H+]([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246896222 988669559 /nfs/dbraw/zinc/66/95/59/988669559.db2.gz VWTYNNFRRCFKBC-ADEWGFFLSA-N 2 0 210.321 1.038 20 0 BDADRP C[C@@H]1C[C@H](N2CCC[C@H]([NH2+]C3CC3)C2)CC[NH2+]1 ZINC001246910312 988692037 /nfs/dbraw/zinc/69/20/37/988692037.db2.gz LYFMEJHEUKEGMS-KWCYVHTRSA-N 2 0 237.391 1.343 20 0 BDADRP CCC[C@@H]1C[NH2+]CCN1[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246911108 988694310 /nfs/dbraw/zinc/69/43/10/988694310.db2.gz ASAFSXWFJZFPIB-YNEHKIRRSA-N 2 0 225.380 1.201 20 0 BDADRP CC(C)[N@H+](C)[C@@H]1CCN([C@@H]2CCC[NH2+]C2)C1 ZINC001246910917 988699213 /nfs/dbraw/zinc/69/92/13/988699213.db2.gz LQUBVAMKZRDWBR-CHWSQXEVSA-N 2 0 225.380 1.153 20 0 BDADRP CC[NH2+]CC(C)(C)CN(C)C(=O)CC[NH+](C)C ZINC001505831432 988714079 /nfs/dbraw/zinc/71/40/79/988714079.db2.gz UMNOEBXYQQRSMK-UHFFFAOYSA-N 2 0 243.395 1.032 20 0 BDADRP C[NH2+]C1CCC(N(C)[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246918574 988717664 /nfs/dbraw/zinc/71/76/64/988717664.db2.gz LBNMSCZYNGKPOA-GFJIZPEISA-N 2 0 239.407 1.589 20 0 BDADRP CC(C)[N@H+](C)[C@H]1CCN(C2CC[NH2+]CC2)C1 ZINC001246916070 988718045 /nfs/dbraw/zinc/71/80/45/988718045.db2.gz XFKRJSAEQOTIBM-ZDUSSCGKSA-N 2 0 225.380 1.153 20 0 BDADRP CC[C@@H]1CC(N2CCC[C@@H]2C[NH3+])C[C@@H](CC)[NH2+]1 ZINC001246918078 988719932 /nfs/dbraw/zinc/71/99/32/988719932.db2.gz UQWKXTPKFKFRTO-JHJVBQTASA-N 2 0 239.407 1.719 20 0 BDADRP CO[C@@H](C)C1C[NH+]([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246924283 988738477 /nfs/dbraw/zinc/73/84/77/988738477.db2.gz QZQXNHKXJQVIBX-JFGNBEQYSA-N 2 0 212.337 1.094 20 0 BDADRP CCCC[C@@H]1C[C@H](N2C[C@@H]3C[NH2+][C@@H]3C2)CC[NH2+]1 ZINC001246923861 988740942 /nfs/dbraw/zinc/74/09/42/988740942.db2.gz ZVFCFIJHPATOBI-REWJHTLYSA-N 2 0 237.391 1.201 20 0 BDADRP CCCC[C@@H]1CN([C@H]2CC[C@H](C)[NH2+]C2)CC[NH2+]1 ZINC001246925090 988749940 /nfs/dbraw/zinc/74/99/40/988749940.db2.gz LNAOPDRPKCMNSQ-MJBXVCDLSA-N 2 0 239.407 1.591 20 0 BDADRP C[NH2+]CC[C@H](C)[N@@H+]1CCc2c(N)cccc2C1 ZINC001246936724 988767581 /nfs/dbraw/zinc/76/75/81/988767581.db2.gz YJRUMFFSNIZFIX-NSHDSACASA-N 2 0 233.359 1.625 20 0 BDADRP C[C@H]1CN([C@H]2CC[NH2+]C(C)(C)C2)C[C@H](C)[NH2+]1 ZINC001246942122 988776330 /nfs/dbraw/zinc/77/63/30/988776330.db2.gz DIFOHKAVMZVIKQ-SRVKXCTJSA-N 2 0 225.380 1.199 20 0 BDADRP CCN(C[C@@H]1CC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246944125 988779182 /nfs/dbraw/zinc/77/91/82/988779182.db2.gz UEMRPLGGUDBNDB-HABKJSAYSA-N 2 0 237.391 1.201 20 0 BDADRP C1CC2(C[NH2+]1)CCC([N@@H+]1C[C@@H]3CC[C@H]1CN3)CC2 ZINC001246944984 988779915 /nfs/dbraw/zinc/77/99/15/988779915.db2.gz UWUSWYJDYGSOGO-LQULJDIASA-N 2 0 249.402 1.345 20 0 BDADRP C[C@@H]1CC(N2C[C@H](C)[NH2+][C@@H](C)C2)C[C@@H](C)[NH2+]1 ZINC001246944175 988781878 /nfs/dbraw/zinc/78/18/78/988781878.db2.gz QWIGGUPVRBECKC-WYUUTHIRSA-N 2 0 225.380 1.198 20 0 BDADRP CCCN([C@@H]1CC[NH2+]C1)C1CCC([NH2+]C)CC1 ZINC001246944966 988782593 /nfs/dbraw/zinc/78/25/93/988782593.db2.gz YVBYDVYMVBVPME-JXQTWKCFSA-N 2 0 239.407 1.591 20 0 BDADRP CC(C)N([C@@H]1CC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246963513 988793253 /nfs/dbraw/zinc/79/32/53/988793253.db2.gz BLAMWMOQARYKLM-RBKKPWLPSA-N 2 0 237.391 1.342 20 0 BDADRP CC(C)N([C@H]1CC[NH2+]C1)[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246966044 988793268 /nfs/dbraw/zinc/79/32/68/988793268.db2.gz JKTCVWFJHGIQNH-CRWXNKLISA-N 2 0 239.407 1.588 20 0 BDADRP CC[C@@H]1C[C@@H](N(C(C)C)[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC001246969288 988799094 /nfs/dbraw/zinc/79/90/94/988799094.db2.gz VBIIGPWBKCAARX-HZSPNIEDSA-N 2 0 239.407 1.589 20 0 BDADRP CCC[NH+]1CCC(N(C)C[C@@H]([NH3+])CC)CC1 ZINC001246974837 988803035 /nfs/dbraw/zinc/80/30/35/988803035.db2.gz RMFHBZYKKFHCGD-LBPRGKRZSA-N 2 0 227.396 1.530 20 0 BDADRP CCCN(C[C@@H]1CC[NH2+]C1)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246976491 988805328 /nfs/dbraw/zinc/80/53/28/988805328.db2.gz QRQPDRYSKBWELD-MGPQQGTHSA-N 2 0 239.407 1.448 20 0 BDADRP CC[NH+]1C[C@@H]2CN([C@@H]3CC[C@@H](C)[NH2+]C3)C[C@H]2C1 ZINC001246979045 988810381 /nfs/dbraw/zinc/81/03/81/988810381.db2.gz LLRBQHMMXMGQQN-AAVRWANBSA-N 2 0 237.391 1.010 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[N@H+](C)C[C@H](C)N ZINC001246982458 988816906 /nfs/dbraw/zinc/81/69/06/988816906.db2.gz VMQPIFSUDSJREX-STQMWFEESA-N 2 0 229.412 1.776 20 0 BDADRP C1CC(N([C@@H]2CCC[NH2+]C2)[C@H]2CCC[NH2+]C2)C1 ZINC001246984779 988817136 /nfs/dbraw/zinc/81/71/36/988817136.db2.gz HBSFVUYYSNBSQK-OKILXGFUSA-N 2 0 237.391 1.345 20 0 BDADRP C[NH2+]CC[C@@H](C)N1CC(F)(F)CC[C@@H]1C[NH3+] ZINC001246987572 988818769 /nfs/dbraw/zinc/81/87/69/988818769.db2.gz NACNDNUPTNFROR-NXEZZACHSA-N 2 0 235.322 1.043 20 0 BDADRP C[NH2+]CC[C@H](C)N1CC(F)(F)CC[C@@H]1C[NH3+] ZINC001246987574 988821067 /nfs/dbraw/zinc/82/10/67/988821067.db2.gz NACNDNUPTNFROR-VHSXEESVSA-N 2 0 235.322 1.043 20 0 BDADRP C[N@@H+]1CCN(C2CC[NH2+]CC2)C2(CCCC2)C1 ZINC001246993423 988824882 /nfs/dbraw/zinc/82/48/82/988824882.db2.gz NDFHCFLCAZRVHW-UHFFFAOYSA-N 2 0 237.391 1.299 20 0 BDADRP C[NH2+]CC[C@@H](C)N1CC[NH2+]C2=CCCC[C@@H]21 ZINC001246997222 988828167 /nfs/dbraw/zinc/82/81/67/988828167.db2.gz SCDJQIFPRBABIA-YPMHNXCESA-N 2 0 223.364 1.326 20 0 BDADRP CC[N@@H+]1CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)C1 ZINC001246996498 988828010 /nfs/dbraw/zinc/82/80/10/988828010.db2.gz ORGSNYDINBFDFJ-HABKJSAYSA-N 2 0 237.391 1.295 20 0 BDADRP C[C@@H]1C[C@H](N2CC[NH2+]C3=CCCC[C@H]32)CC[NH2+]1 ZINC001246996749 988828227 /nfs/dbraw/zinc/82/82/27/988828227.db2.gz PBGBFFFZAKGMPQ-YRGRVCCFSA-N 2 0 235.375 1.469 20 0 BDADRP C[NH2+]CC[C@@H](C)N1CC[NH2+]C2=CCCC[C@H]21 ZINC001246997220 988829557 /nfs/dbraw/zinc/82/95/57/988829557.db2.gz SCDJQIFPRBABIA-DGCLKSJQSA-N 2 0 223.364 1.326 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CN1[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001247000218 988830961 /nfs/dbraw/zinc/83/09/61/988830961.db2.gz VDOHCVGBDJOJCF-YVECIDJPSA-N 2 0 239.407 1.575 20 0 BDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC001514550274 988896027 /nfs/dbraw/zinc/89/60/27/988896027.db2.gz SAQSZIBOWJSVDB-SRVKXCTJSA-N 2 0 243.395 1.062 20 0 BDADRP Cc1ccc([C@H]([NH3+])C(=O)NCCC(C)(C)[NH3+])cc1 ZINC001119312285 988928296 /nfs/dbraw/zinc/92/82/96/988928296.db2.gz LHZUYDDAEOVQLN-LBPRGKRZSA-N 2 0 249.358 1.238 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1C2CCC1(CO)CC2 ZINC000722987109 989058466 /nfs/dbraw/zinc/05/84/66/989058466.db2.gz SZOPZLILGPTXAV-HSBZDZAISA-N 2 0 238.375 1.460 20 0 BDADRP C[NH+](C)CC1(CNc2cc(N)ncn2)CCCC1 ZINC001515639777 989083653 /nfs/dbraw/zinc/08/36/53/989083653.db2.gz GYTBIFZXNRSMRT-UHFFFAOYSA-N 2 0 249.362 1.593 20 0 BDADRP COc1cc(C[NH2+]CCCC[NH3+])ccc1F ZINC001325624076 989218840 /nfs/dbraw/zinc/21/88/40/989218840.db2.gz AGGUCAQRAMBHPJ-UHFFFAOYSA-N 2 0 226.295 1.663 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)CCCC[NH3+])C1 ZINC001325719219 989236610 /nfs/dbraw/zinc/23/66/10/989236610.db2.gz VWBFDMRNCKPYQQ-UONOGXRCSA-N 2 0 241.423 1.825 20 0 BDADRP CC[N@@H+]1CCC[C@H](CN[C@@H]2CCC[C@H]2[NH3+])C1 ZINC001325718170 989238073 /nfs/dbraw/zinc/23/80/73/989238073.db2.gz QQENGEMTFHJQIE-JHJVBQTASA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C/C=C/C1CC1 ZINC001325743601 989244061 /nfs/dbraw/zinc/24/40/61/989244061.db2.gz PPSRGMKMRKJLLN-KTTDLOKESA-N 2 0 208.349 1.930 20 0 BDADRP C[C@H]1C[N@H+](CCOCC2CC2)CC[C@H]1C[NH3+] ZINC001119617603 989244592 /nfs/dbraw/zinc/24/45/92/989244592.db2.gz RQYCABCLNZTJKD-AAEUAGOBSA-N 2 0 226.364 1.330 20 0 BDADRP C[NH2+][C@H](C)CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC001325744786 989249342 /nfs/dbraw/zinc/24/93/42/989249342.db2.gz VJDXWCHEBRZYDS-SYQHCUMBSA-N 2 0 239.407 1.447 20 0 BDADRP C[NH2+][C@H](C)CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC001325744785 989250445 /nfs/dbraw/zinc/25/04/45/989250445.db2.gz VJDXWCHEBRZYDS-RQJABVFESA-N 2 0 239.407 1.447 20 0 BDADRP C[C@H]([NH3+])CN1C[C@@H](CC[NH3+])c2ccccc21 ZINC001119684371 989334050 /nfs/dbraw/zinc/33/40/50/989334050.db2.gz UUZBGUDECGJMDL-WDEREUQCSA-N 2 0 219.332 1.286 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1c1nc([C@H]2CCC[NH2+]2)no1 ZINC001326173270 989408250 /nfs/dbraw/zinc/40/82/50/989408250.db2.gz QPTMOHZGEXTWRA-OPRDCNLKSA-N 2 0 236.319 1.479 20 0 BDADRP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3cnc[nH]3)C[C@@H]2C1 ZINC001120072146 989586823 /nfs/dbraw/zinc/58/68/23/989586823.db2.gz RSUBSCMTIFAMAF-SGMGOOAPSA-N 2 0 248.374 1.572 20 0 BDADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N[C@@H](C)CCCC[NH3+] ZINC001521540642 989737058 /nfs/dbraw/zinc/73/70/58/989737058.db2.gz JJGIIIYLTKWJLQ-SDDRHHMPSA-N 2 0 243.395 1.384 20 0 BDADRP C[C@@H](c1nc(C2([NH3+])CCC2)no1)n1ccnc1 ZINC001326979608 989795970 /nfs/dbraw/zinc/79/59/70/989795970.db2.gz TVKKLWNYPGSBKL-QMMMGPOBSA-N 2 0 233.275 1.213 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC001521900139 989814257 /nfs/dbraw/zinc/81/42/57/989814257.db2.gz JZXBPVZFMSSCEV-WOPDTQHZSA-N 2 0 241.379 1.088 20 0 BDADRP CC[N@H+](C)C[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC001120855503 989923788 /nfs/dbraw/zinc/92/37/88/989923788.db2.gz NKYOZKRHQFOHHM-GFCCVEGCSA-N 2 0 219.332 1.860 20 0 BDADRP CC[NH2+][C@@H](C)C(=O)Nc1ccccc1C[NH3+] ZINC001523616501 989943721 /nfs/dbraw/zinc/94/37/21/989943721.db2.gz AZUPPSMYXWSAEH-VIFPVBQESA-N 2 0 221.304 1.082 20 0 BDADRP C[C@H]1CCC[N@H+](CCNc2ccnc(N)n2)C1 ZINC001120883640 989947106 /nfs/dbraw/zinc/94/71/06/989947106.db2.gz KHCHEEZFNQSWHH-JTQLQIEISA-N 2 0 235.335 1.203 20 0 BDADRP [NH3+]C1CC(CC(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC001122023887 990194373 /nfs/dbraw/zinc/19/43/73/990194373.db2.gz RHAQLWPWBISTDM-UHFFFAOYSA-N 2 0 245.326 1.356 20 0 BDADRP CC(C)(C)[C@H]([NH3+])CC(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC001122197174 990286016 /nfs/dbraw/zinc/28/60/16/990286016.db2.gz XPLAKMLQPVQFGP-GMTAPVOTSA-N 2 0 241.379 1.136 20 0 BDADRP C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccccc1C[NH3+] ZINC001122346111 990349425 /nfs/dbraw/zinc/34/94/25/990349425.db2.gz HOBWNANIYCXCPI-MWLCHTKSSA-N 2 0 233.315 1.082 20 0 BDADRP CC(C)[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC001308556891 991034151 /nfs/dbraw/zinc/03/41/51/991034151.db2.gz NVWSJZTVCBUNHM-NEPJUHHUSA-N 2 0 228.380 1.466 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCN(C)CC[NH3+])C[C@@H](C)C1 ZINC001258156967 991041401 /nfs/dbraw/zinc/04/14/01/991041401.db2.gz WMFSBFFWHRQMOR-ITGUQSILSA-N 2 0 227.396 1.291 20 0 BDADRP C[C@H](C[NH3+])C[N@H+](C)[C@@H](C)Cc1ccco1 ZINC001258181298 991083578 /nfs/dbraw/zinc/08/35/78/991083578.db2.gz MKNWUJUCMDNPSY-MNOVXSKESA-N 2 0 210.321 1.737 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H]2CC[C@H](OC)C2)CC1 ZINC001308691433 991095444 /nfs/dbraw/zinc/09/54/44/991095444.db2.gz TVTKSACPOJFOCN-KBPBESRZSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1c[nH]c(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)n1 ZINC001138939086 991110338 /nfs/dbraw/zinc/11/03/38/991110338.db2.gz GESRCZVNAYKVHN-UHFFFAOYSA-N 2 0 248.374 1.636 20 0 BDADRP [NH3+]C[C@H](O)C[NH2+]C1CCCCCCC1 ZINC001258232186 991167316 /nfs/dbraw/zinc/16/73/16/991167316.db2.gz BFEYWCNLSOFSRK-NSHDSACASA-N 2 0 200.326 1.009 20 0 BDADRP [NH3+]CCN1CC[NH+](C2CCCCCCC2)CC1 ZINC001258234255 991175958 /nfs/dbraw/zinc/17/59/58/991175958.db2.gz PLZAQHRJHRXIRF-UHFFFAOYSA-N 2 0 239.407 1.676 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](C)COC(C)=O ZINC001308987712 991256297 /nfs/dbraw/zinc/25/62/97/991256297.db2.gz MDUAPUDSKDZFCF-RYUDHWBXSA-N 2 0 244.379 1.648 20 0 BDADRP C[C@@H](CC1CC1)NC(=[NH2+])NCCCC[NH3+] ZINC001258448248 991394862 /nfs/dbraw/zinc/39/48/62/991394862.db2.gz GIRBBSPWCMIGPX-VIFPVBQESA-N 2 0 212.341 1.028 20 0 BDADRP C[N@@H+]1CC[C@@]2(CCN(Cc3ccnnc3)C2)C1 ZINC001139985825 991465565 /nfs/dbraw/zinc/46/55/65/991465565.db2.gz ZHIVADKQUPXOET-CYBMUJFWSA-N 2 0 232.331 1.004 20 0 BDADRP CC[NH2+][C@@H](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001317396082 991497929 /nfs/dbraw/zinc/49/79/29/991497929.db2.gz CCRTUDUPYSBZGK-RYUDHWBXSA-N 2 0 243.395 1.077 20 0 BDADRP CN(CC[NH3+])CC[NH2+][C@H]1CCC(C)(C)C1 ZINC001258599279 991501330 /nfs/dbraw/zinc/50/13/30/991501330.db2.gz XHYDENYWSWOOBI-NSHDSACASA-N 2 0 213.369 1.045 20 0 BDADRP CCC[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)C[NH3+] ZINC001258649436 991580842 /nfs/dbraw/zinc/58/08/42/991580842.db2.gz HIYCQAGUHFGCRD-KGLIPLIRSA-N 2 0 236.359 1.307 20 0 BDADRP CCC[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)C[NH3+] ZINC001258649437 991582815 /nfs/dbraw/zinc/58/28/15/991582815.db2.gz HIYCQAGUHFGCRD-UONOGXRCSA-N 2 0 236.359 1.307 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@]2(C)CO)CC1 ZINC001560759749 991589482 /nfs/dbraw/zinc/58/94/82/991589482.db2.gz LKDFZVHMTHVKBA-CQSZACIVSA-N 2 0 240.391 1.565 20 0 BDADRP C[N@@H+](Cc1ccncn1)CC1CC[NH+](C)CC1 ZINC001140347832 991617539 /nfs/dbraw/zinc/61/75/39/991617539.db2.gz XMBXHVKPGUHOLS-UHFFFAOYSA-N 2 0 234.347 1.250 20 0 BDADRP CSC1(C[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)CC1 ZINC001561028534 991693110 /nfs/dbraw/zinc/69/31/10/991693110.db2.gz LQQCUPBMWNBHBS-NEPJUHHUSA-N 2 0 240.416 1.766 20 0 BDADRP CCC[NH+]1CCC([N@@H+]2CC[C@](C)(CO)C2)CC1 ZINC001258772517 991741784 /nfs/dbraw/zinc/74/17/84/991741784.db2.gz RHFWLLGHOUPLDA-AWEZNQCLSA-N 2 0 240.391 1.565 20 0 BDADRP CC(C)C1CCC([NH2+]CCN(C)CC[NH3+])CC1 ZINC001258801352 991798240 /nfs/dbraw/zinc/79/82/40/991798240.db2.gz VOAQJDGSQDNZPU-UHFFFAOYSA-N 2 0 241.423 1.681 20 0 BDADRP C[C@H]1CCC[C@@H]([NH2+]CCN(C)CC[NH3+])C1 ZINC001258816133 991829010 /nfs/dbraw/zinc/82/90/10/991829010.db2.gz YDWSUFSBPVAGEZ-NWDGAFQWSA-N 2 0 213.369 1.045 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+]CC1CN(C)C1 ZINC001258902338 991895531 /nfs/dbraw/zinc/89/55/31/991895531.db2.gz SICULDJPRSZBBS-ZDUSSCGKSA-N 2 0 241.423 1.648 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C1CC(=O)C1 ZINC001258898989 991895669 /nfs/dbraw/zinc/89/56/69/991895669.db2.gz AENCIMTWNVSFRR-NSHDSACASA-N 2 0 226.364 1.818 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@]1(C)C[C@H](O)C1 ZINC001258900012 991896094 /nfs/dbraw/zinc/89/60/94/991896094.db2.gz YHIHXHJJGDOVHK-MGPQQGTHSA-N 2 0 242.407 2.000 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](CO)C1CC1 ZINC001258902976 991896612 /nfs/dbraw/zinc/89/66/12/991896612.db2.gz JEEDDJFPKLSYNH-JSGCOSHPSA-N 2 0 242.407 1.857 20 0 BDADRP CC(C)[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001567025550 991911443 /nfs/dbraw/zinc/91/14/43/991911443.db2.gz YKKKTHLMUFBQEL-RYUDHWBXSA-N 2 0 243.395 1.075 20 0 BDADRP CC[C@@H](C(=O)N[C@H](C)CC[NH2+]C(C)C)[NH+](C)C ZINC001320606424 992271217 /nfs/dbraw/zinc/27/12/17/992271217.db2.gz GLHANLGRHPSRFP-NEPJUHHUSA-N 2 0 243.395 1.219 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]Cc1ccccc1N1CCCC1 ZINC001261370903 992278499 /nfs/dbraw/zinc/27/84/99/992278499.db2.gz YRBJDJRRDOCXKQ-CYBMUJFWSA-N 2 0 247.386 1.971 20 0 BDADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001261515287 992362837 /nfs/dbraw/zinc/36/28/37/992362837.db2.gz BORFXDWHWWVHNN-RDBSUJKOSA-N 2 0 240.391 1.469 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]C2(CO)CCC2)CC1(C)C ZINC001261787338 992509005 /nfs/dbraw/zinc/50/90/05/992509005.db2.gz LNRSKOGOLPIFOD-NSHDSACASA-N 2 0 226.364 1.364 20 0 BDADRP COC1(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)CCC1 ZINC001262012188 992600254 /nfs/dbraw/zinc/60/02/54/992600254.db2.gz NYELIDKHUZHIKJ-CHWSQXEVSA-N 2 0 238.375 1.582 20 0 BDADRP [NH3+]CC1([C@H]2CCCC[N@@H+]2CCF)CCC1 ZINC001262486365 992890123 /nfs/dbraw/zinc/89/01/23/992890123.db2.gz RTHMVCLMERUZPH-LLVKDONJSA-N 2 0 214.328 1.939 20 0 BDADRP C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)C1C[NH2+]C1 ZINC001574794565 992908276 /nfs/dbraw/zinc/90/82/76/992908276.db2.gz DWNORYCRNKSSME-AWEZNQCLSA-N 2 0 237.391 1.202 20 0 BDADRP C1[C@H]2CCC[C@H]([NH2+][C@H]3C[C@H]4CC[C@@H]3[NH2+]4)[C@@H]12 ZINC001574795716 992910077 /nfs/dbraw/zinc/91/00/77/992910077.db2.gz PAXYBNASQATBTJ-NLMKBYRWSA-N 2 0 206.333 1.658 20 0 BDADRP C(C1=NOCC1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC001574800523 992915043 /nfs/dbraw/zinc/91/50/43/992915043.db2.gz JFABOBRCANADRZ-ZDUSSCGKSA-N 2 0 237.347 1.227 20 0 BDADRP C([NH2+][C@@H]1C[C@@H]2COC[C@H]12)[C@H]1CCCCC[NH2+]1 ZINC001574801595 992915071 /nfs/dbraw/zinc/91/50/71/992915071.db2.gz SHWFCJCQAAKQQF-FVCCEPFGSA-N 2 0 224.348 1.143 20 0 BDADRP CC(C)(C)[C@@H](C[NH3+])NCc1cccc(F)c1N ZINC001575109075 992988406 /nfs/dbraw/zinc/98/84/06/992988406.db2.gz VNEXYJCUTPTXAW-LLVKDONJSA-N 2 0 239.338 1.871 20 0 BDADRP CC(C)(C)[C@H]1C[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)CCO1 ZINC001575122741 992989565 /nfs/dbraw/zinc/98/95/65/992989565.db2.gz ALDOOSFNFMPDEF-YNEHKIRRSA-N 2 0 240.391 1.861 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])C[NH2+][C@H]1C[C@@H](O)C1 ZINC001575130216 992994430 /nfs/dbraw/zinc/99/44/30/992994430.db2.gz GYOQSDOHUODMMI-GARJFASQSA-N 2 0 214.353 1.253 20 0 BDADRP CC(C)(O)CC[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC001575379837 993031147 /nfs/dbraw/zinc/03/11/47/993031147.db2.gz MDTVZZSFQRIWTP-NXEZZACHSA-N 2 0 200.326 1.007 20 0 BDADRP CC(C)[C@H](C[NH3+])C[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC001575423831 993040576 /nfs/dbraw/zinc/04/05/76/993040576.db2.gz YVLIYFWFRFWLAF-CRWXNKLISA-N 2 0 240.391 1.765 20 0 BDADRP CC(C)[C@H](C[NH3+])C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001575422871 993041092 /nfs/dbraw/zinc/04/10/92/993041092.db2.gz NSWVZKFVWTVERJ-RFQIPJPRSA-N 3 0 239.407 1.147 20 0 BDADRP CC(C)[C@@H](C[NH3+])C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC001575428408 993041963 /nfs/dbraw/zinc/04/19/63/993041963.db2.gz BHTOIWZYKJCEQD-XQQFMLRXSA-N 2 0 226.364 1.374 20 0 BDADRP CC(C)[C@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)CCO1 ZINC001575498434 993060503 /nfs/dbraw/zinc/06/05/03/993060503.db2.gz JPXLFXIBOOCRHN-REWJHTLYSA-N 2 0 240.391 1.907 20 0 BDADRP CC(C)C[C@H](C[NH3+])NC(=O)CCCC[NH+](C)C ZINC001575541075 993065420 /nfs/dbraw/zinc/06/54/20/993065420.db2.gz PNMHLZRQSZWESQ-GFCCVEGCSA-N 2 0 243.395 1.208 20 0 BDADRP CC(C)C[C@H](C[NH3+])NC(=O)CC[NH2+]C(C)(C)C ZINC001575542508 993068393 /nfs/dbraw/zinc/06/83/93/993068393.db2.gz MANKLGAJEUCMTN-LLVKDONJSA-N 2 0 243.395 1.254 20 0 BDADRP CC(C)CC[C@](C)(O)C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC001575552315 993069166 /nfs/dbraw/zinc/06/91/66/993069166.db2.gz BQKAGRLIVOXVQV-IHRRRGAJSA-N 2 0 242.407 1.891 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)NC[C@@H](C)C[NH+](C)C ZINC001575643981 993087759 /nfs/dbraw/zinc/08/77/59/993087759.db2.gz CDDUGAMSYNYVNC-NEPJUHHUSA-N 2 0 243.395 1.064 20 0 BDADRP CC(C)[NH+]1CCC(N[C@H]2CC[NH2+][C@@H]2C)CC1 ZINC001575697414 993096580 /nfs/dbraw/zinc/09/65/80/993096580.db2.gz WGWDENRJSFGNMU-YPMHNXCESA-N 2 0 225.380 1.199 20 0 BDADRP C[C@H](CCCO)C[NH2+]CC1(C[NH3+])CCC1 ZINC001575952045 993137020 /nfs/dbraw/zinc/13/70/20/993137020.db2.gz BJWYLLIBEKQZCG-LLVKDONJSA-N 2 0 214.353 1.114 20 0 BDADRP C[C@H](CCn1cccn1)[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC001575971950 993146020 /nfs/dbraw/zinc/14/60/20/993146020.db2.gz IRYQAFNQCVUIBV-FRRDWIJNSA-N 2 0 236.363 1.379 20 0 BDADRP C[C@H](Cc1ccno1)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC001576066317 993170162 /nfs/dbraw/zinc/17/01/62/993170162.db2.gz MTMOVRPEXFMOJF-OUAUKWLOSA-N 2 0 223.320 1.323 20 0 BDADRP C[C@H]([NH3+])C[N@H+](C)CCCCC1(C)OCCO1 ZINC001576149951 993191728 /nfs/dbraw/zinc/19/17/28/993191728.db2.gz PSIKWHMEPXPZGR-NSHDSACASA-N 2 0 230.352 1.199 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])[C@H]1COC(C)(C)O1 ZINC001576153275 993192433 /nfs/dbraw/zinc/19/24/33/993192433.db2.gz RKPLSSNWHAXUEN-UKKRHICBSA-N 2 0 230.352 1.242 20 0 BDADRP C[C@@H]([NH3+])C[NH2+]C1(CO)CCCCCCC1 ZINC001576159486 993197900 /nfs/dbraw/zinc/19/79/00/993197900.db2.gz QCPZINFDHIXDBZ-LLVKDONJSA-N 2 0 214.353 1.399 20 0 BDADRP C[C@H]([NH2+]CCC(C)(C)[NH3+])[C@H]1COC(C)(C)O1 ZINC001576246215 993234883 /nfs/dbraw/zinc/23/48/83/993234883.db2.gz UUFUUQBPGBJSHD-VHSXEESVSA-N 2 0 230.352 1.243 20 0 BDADRP C[C@H](O)C(C)(C)C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC001576264927 993241568 /nfs/dbraw/zinc/24/15/68/993241568.db2.gz MNFUCXSTTQZLJM-GARJFASQSA-N 2 0 214.353 1.110 20 0 BDADRP C[C@H](O)[C@@H]1CCCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC001576268739 993242119 /nfs/dbraw/zinc/24/21/19/993242119.db2.gz FPHHUUZGAJFFCB-VOAKCMCISA-N 2 0 226.364 1.077 20 0 BDADRP COC[C@H](C)[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000379581624 993255662 /nfs/dbraw/zinc/25/56/62/993255662.db2.gz KWURKAQCAJXSRR-QWRGUYRKSA-N 2 0 200.326 1.082 20 0 BDADRP COC[C@@H](C)[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000379581623 993256384 /nfs/dbraw/zinc/25/63/84/993256384.db2.gz KWURKAQCAJXSRR-MNOVXSKESA-N 2 0 200.326 1.082 20 0 BDADRP CC1(C)C[C@H](O)C[N@H+](Cc2cccc(C[NH3+])c2)C1 ZINC001576393845 993288909 /nfs/dbraw/zinc/28/89/09/993288909.db2.gz LYBUEAIAVPJSBZ-AWEZNQCLSA-N 2 0 248.370 1.738 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+][C@@H](CO)CC1CCC1 ZINC001576383458 993291854 /nfs/dbraw/zinc/29/18/54/993291854.db2.gz OUDVGUDUWJELAW-IJLUTSLNSA-N 2 0 226.364 1.253 20 0 BDADRP CC1(C)C[C@H]([NH2+]CCC2([NH3+])CCOCC2)CO1 ZINC001576393275 993295675 /nfs/dbraw/zinc/29/56/75/993295675.db2.gz GQVYIALZSQEAJO-NSHDSACASA-N 2 0 242.363 1.042 20 0 BDADRP CC1(C)CCCC[C@@H]1[NH2+]C[C@]1(O)CC[NH2+]C1 ZINC001576435351 993308747 /nfs/dbraw/zinc/30/87/47/993308747.db2.gz YKKIENDHHFKSKN-AAEUAGOBSA-N 2 0 226.364 1.269 20 0 BDADRP CC1(C)C[N@H+](CC2CCSCC2)C[C@H]1N ZINC001576457619 993312817 /nfs/dbraw/zinc/31/28/17/993312817.db2.gz KCDBMDXYUJUZMV-LLVKDONJSA-N 2 0 228.405 1.799 20 0 BDADRP CC1(C)SC[C@@H]1[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001576494957 993321045 /nfs/dbraw/zinc/32/10/45/993321045.db2.gz JTDKOGMNADCEQI-GWMJWBFUSA-N 2 0 212.362 1.350 20 0 BDADRP CC1(C)OCC[C@@H]1[NH2+]CCC1([NH3+])CCOCC1 ZINC001576495193 993322812 /nfs/dbraw/zinc/32/28/12/993322812.db2.gz MBEDEUPDVDCSBH-NSHDSACASA-N 2 0 242.363 1.042 20 0 BDADRP CC12CC(C[N@@H+]3CC[C@@](C)(C[NH3+])C3)(C1)CO2 ZINC001576503109 993324439 /nfs/dbraw/zinc/32/44/39/993324439.db2.gz LXQHWDJMHRJACN-HIFPTAJRSA-N 2 0 224.348 1.226 20 0 BDADRP CC12CC(C[N@@H+]3CC[C@@H](CC[NH3+])C3)(C1)CO2 ZINC001576552932 993341247 /nfs/dbraw/zinc/34/12/47/993341247.db2.gz HTQOEYJQDMOKMJ-PNESKVBLSA-N 2 0 224.348 1.226 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2C[C@H]3CCN(C)[C@H]3C2)CC[NH2+]1 ZINC001576598267 993362932 /nfs/dbraw/zinc/36/29/32/993362932.db2.gz NBCNMMFCCPFLQP-RQJABVFESA-N 2 0 237.391 1.010 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]CC2)CO1 ZINC001576622621 993374444 /nfs/dbraw/zinc/37/44/44/993374444.db2.gz FUDWTHCBQCOMOS-IJLUTSLNSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H](Cc1ccno1)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC001576625573 993375092 /nfs/dbraw/zinc/37/50/92/993375092.db2.gz ZUAKFEAJVNJVRI-VWYCJHECSA-N 2 0 223.320 1.336 20 0 BDADRP C[C@H]1C[C@@H]1C[NH2+]Cc1ccc(N2CC[NH2+]CC2)o1 ZINC001576635002 993378585 /nfs/dbraw/zinc/37/85/85/993378585.db2.gz OIACBJXEVQACOI-NWDGAFQWSA-N 2 0 249.358 1.435 20 0 BDADRP CC1CCC([NH2+]C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC001576669898 993388457 /nfs/dbraw/zinc/38/84/57/993388457.db2.gz BVJPXARGBIQBHP-BPCQOVAHSA-N 2 0 238.375 1.676 20 0 BDADRP C[C@@H]1CCC[C@H](C[NH2+]C[C@]2(O)CC[NH2+]C2)C1 ZINC001576677926 993391711 /nfs/dbraw/zinc/39/17/11/993391711.db2.gz KBNAUZRZLGVTTI-AGIUHOORSA-N 2 0 226.364 1.127 20 0 BDADRP C[C@@H]1CCCC[C@H]1C[N@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001576689650 993395677 /nfs/dbraw/zinc/39/56/77/993395677.db2.gz DSEBCOGKLPZIHM-BJJPWKGXSA-N 2 0 222.376 1.962 20 0 BDADRP CC1CC[NH+](CCN2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC001576731497 993408890 /nfs/dbraw/zinc/40/88/90/993408890.db2.gz KBCNZODSJANRNW-CHWSQXEVSA-N 2 0 243.370 1.089 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@H]2CCCC[NH2+]C2)C[C@H]1O ZINC001576729710 993409776 /nfs/dbraw/zinc/40/97/76/993409776.db2.gz WOOFAFUXVZMJER-FRRDWIJNSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@H]1CC[N@H+](C[C@]2(O)CC[NH2+]C2)CC1(C)C ZINC001576729687 993410570 /nfs/dbraw/zinc/41/05/70/993410570.db2.gz WCTPPPJWXGEMAD-AAEUAGOBSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc2c[nH+]cn2c1 ZINC001576886130 993444672 /nfs/dbraw/zinc/44/46/72/993444672.db2.gz ODYXLPYMNBXZHQ-BXKDBHETSA-N 2 0 244.298 1.271 20 0 BDADRP C[C@@H]1SCC[C@@H]1[NH2+]CCC1([NH3+])CCOCC1 ZINC001576915347 993447765 /nfs/dbraw/zinc/44/77/65/993447765.db2.gz VCNPNBBCHHRKFQ-QWRGUYRKSA-N 2 0 244.404 1.368 20 0 BDADRP CC[C@H](C)[C@H](CN[C@H](C)C[NH2+]C)OC ZINC001576972561 993471532 /nfs/dbraw/zinc/47/15/32/993471532.db2.gz SYFYRTLLDRALAQ-AXFHLTTASA-N 2 0 202.342 1.245 20 0 BDADRP CCC(CC)(C[NH3+])[NH2+]C[C@H]1COC(C)(C)O1 ZINC001577059563 993489213 /nfs/dbraw/zinc/48/92/13/993489213.db2.gz QBOJLRGAMPGVQG-JTQLQIEISA-N 2 0 230.352 1.245 20 0 BDADRP CC[C@H](C[NH2+]C1CC([NH3+])C1)C(=O)OC(C)(C)C ZINC001577089835 993498357 /nfs/dbraw/zinc/49/83/57/993498357.db2.gz NKJKOCYTVCYIQB-KPPDAEKUSA-N 2 0 242.363 1.434 20 0 BDADRP CC[C@H](CO)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001577088422 993498615 /nfs/dbraw/zinc/49/86/15/993498615.db2.gz CHJLKTBRCRWQMS-HZSPNIEDSA-N 2 0 240.391 1.469 20 0 BDADRP CC[C@@H](CSC)[NH2+]C[C@H]([NH3+])CCOC ZINC001577092848 993500332 /nfs/dbraw/zinc/50/03/32/993500332.db2.gz JIZYJLLLYCNXJV-ZJUUUORDSA-N 2 0 220.382 1.081 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+]CC1Cc2ccccc2C1 ZINC001577124713 993513833 /nfs/dbraw/zinc/51/38/33/993513833.db2.gz NLICPRXWCUMZHP-CQSZACIVSA-N 2 0 218.344 1.728 20 0 BDADRP COC(=O)[C@@H]1CCC[C@@H]([NH2+]CCC[NH+](C)C)C1 ZINC000383956355 993529602 /nfs/dbraw/zinc/52/96/02/993529602.db2.gz HDRUTNCWJHWQTQ-VXGBXAGGSA-N 2 0 242.363 1.260 20 0 BDADRP CC[C@H]([NH2+]C[C@]1(O)CC[NH2+]C1)[C@H]1CC1(C)C ZINC001577176214 993531403 /nfs/dbraw/zinc/53/14/03/993531403.db2.gz WEXHGAKVKRYPDQ-MDZLAQPJSA-N 2 0 226.364 1.125 20 0 BDADRP CC[NH+]1CCC([NH2+]CCn2ccnc2C)CC1 ZINC000384106835 993545015 /nfs/dbraw/zinc/54/50/15/993545015.db2.gz CHAJWNVZVPSUBH-UHFFFAOYSA-N 3 0 236.363 1.265 20 0 BDADRP CC[C@]1(CO)CCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC001577220576 993546889 /nfs/dbraw/zinc/54/68/89/993546889.db2.gz HQBONKCNMMZECY-FRRDWIJNSA-N 2 0 226.364 1.079 20 0 BDADRP CC[C@@]1(CO)CCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC001577220575 993547866 /nfs/dbraw/zinc/54/78/66/993547866.db2.gz HQBONKCNMMZECY-AGIUHOORSA-N 2 0 226.364 1.079 20 0 BDADRP CC[C@@H]1CCC[C@@H]([NH2+]C[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC001577246839 993556428 /nfs/dbraw/zinc/55/64/28/993556428.db2.gz TZRCBCASHBLPEL-AAVRWANBSA-N 2 0 240.391 1.515 20 0 BDADRP CC[C@H]1[C@@H](CO)CC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC001577241212 993557786 /nfs/dbraw/zinc/55/77/86/993557786.db2.gz ROFRVTXYAMURML-UPJWGTAASA-N 2 0 226.364 1.079 20 0 BDADRP CC[C@@H]1CC[N@H+](C[C@@]2(O)CCC[NH2+]C2)[C@@H]1C ZINC001577262171 993563466 /nfs/dbraw/zinc/56/34/66/993563466.db2.gz FNAVJCSMITZNKL-JHJVBQTASA-N 2 0 226.364 1.221 20 0 BDADRP CC[C@@H]1CC[N@H+](CCN2CC[NH2+]CC2)[C@@H]1C ZINC001577263955 993572607 /nfs/dbraw/zinc/57/26/07/993572607.db2.gz WBLVDIFUNPIVRQ-CHWSQXEVSA-N 2 0 225.380 1.012 20 0 BDADRP CC[C@H]1C[N@H+](Cc2cc[nH]c(=O)c2)CC[C@@H]1[NH3+] ZINC001577279780 993578689 /nfs/dbraw/zinc/57/86/89/993578689.db2.gz PYLQONCPZVKXFC-RYUDHWBXSA-N 2 0 235.331 1.346 20 0 BDADRP CCC[C@@H](C[NH2+][C@@H]1CCCC[C@H]1[NH3+])OC ZINC001577357677 993617168 /nfs/dbraw/zinc/61/71/68/993617168.db2.gz FDJHDHVBRBJQOG-QJPTWQEYSA-N 2 0 214.353 1.661 20 0 BDADRP CCC[C@@H]1[C@H](C)CCC[N@@H+]1C[C@H](O)C[NH2+]C ZINC001577375252 993626248 /nfs/dbraw/zinc/62/62/48/993626248.db2.gz UPJVYWFYPJCAAE-JHJVBQTASA-N 2 0 228.380 1.467 20 0 BDADRP CCCNC(=O)CCC[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC001577538601 993679994 /nfs/dbraw/zinc/67/99/94/993679994.db2.gz CUNVJSFVQGFBSQ-QWRGUYRKSA-N 2 0 241.379 1.008 20 0 BDADRP CCC[NH2+][C@@H](C)C(=O)N(C)CCCC[NH+](C)C ZINC001577548492 993685117 /nfs/dbraw/zinc/68/51/17/993685117.db2.gz VPKKEKLIELGFKN-LBPRGKRZSA-N 2 0 243.395 1.175 20 0 BDADRP CCCSC[C@@H](C)[NH2+]CC1([NH3+])CCC1 ZINC001577597145 993691351 /nfs/dbraw/zinc/69/13/51/993691351.db2.gz SIJYPJUUPYXMDV-SNVBAGLBSA-N 2 0 216.394 1.989 20 0 BDADRP [NH3+]CCSCC[NH2+]C1CCCCC1 ZINC000389759099 993765403 /nfs/dbraw/zinc/76/54/03/993765403.db2.gz ULDRLTITYXGYKE-UHFFFAOYSA-N 2 0 202.367 1.601 20 0 BDADRP C[C@H](CO)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000389989539 993772417 /nfs/dbraw/zinc/77/24/17/993772417.db2.gz NSBVLCHTIABFJE-UNXYVOJBSA-N 2 0 214.353 1.077 20 0 BDADRP C[NH2+]C1CCC([NH+]2CCC(C[NH3+])CC2)CC1 ZINC000390257233 993781411 /nfs/dbraw/zinc/78/14/11/993781411.db2.gz MOBSLWCIPZDING-UHFFFAOYSA-N 3 0 225.380 1.188 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH+]2CC[C@@](C)(CO)C2)C1 ZINC000702110317 993963407 /nfs/dbraw/zinc/96/34/07/993963407.db2.gz UFRCEXHADDUAAJ-QWHCGFSZSA-N 2 0 226.364 1.033 20 0 BDADRP CSCC[NH2+]C1CCC([NH+](C)C)CC1 ZINC000393680695 993983131 /nfs/dbraw/zinc/98/31/31/993983131.db2.gz BEJVCSXDSLCYBD-UHFFFAOYSA-N 2 0 216.394 1.812 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H](CO)C(C)(C)C)CC1 ZINC000393984775 994027822 /nfs/dbraw/zinc/02/78/22/994027822.db2.gz BQNFRKPSLFIBDA-ZDUSSCGKSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@@H](C[NH3+])CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000394162637 994045989 /nfs/dbraw/zinc/04/59/89/994045989.db2.gz MANUGRIDDQCYCI-ACJTYDJDSA-N 3 0 225.380 1.138 20 0 BDADRP O[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC001332403339 994082148 /nfs/dbraw/zinc/08/21/48/994082148.db2.gz VKSFLSYQJPQWSQ-YNEHKIRRSA-N 2 0 238.375 1.412 20 0 BDADRP C[C@@H](O)CCC[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001308119800 995551166 /nfs/dbraw/zinc/55/11/66/995551166.db2.gz GVLYLCHDPGJTKM-UPJWGTAASA-N 2 0 226.364 1.031 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000300976301 349486468 /nfs/dbraw/zinc/48/64/68/349486468.db2.gz HQSIIRQEPNCFOX-WYUUTHIRSA-N 2 0 212.337 1.271 20 0 BDADRP COC[C@H](C)C[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000188454204 346812591 /nfs/dbraw/zinc/81/25/91/346812591.db2.gz OBVHQVYYYQUNLQ-CYBMUJFWSA-N 2 0 242.407 1.981 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1CCO ZINC000161765461 349503574 /nfs/dbraw/zinc/50/35/74/349503574.db2.gz CPJFBVIWRCCDNV-ZIAGYGMSSA-N 2 0 240.391 1.708 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCOc1cccc(F)c1 ZINC000422942128 398159550 /nfs/dbraw/zinc/15/95/50/398159550.db2.gz KEATYSAOUDUOEM-MNOVXSKESA-N 2 0 240.322 1.920 20 0 BDADRP C[C@H](CCO)[N@H+](C)CCC[NH+]1CCCCC1 ZINC000649869974 398156636 /nfs/dbraw/zinc/15/66/36/398156636.db2.gz QYZCJBKHELDYPX-CYBMUJFWSA-N 2 0 228.380 1.565 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCCN1C ZINC000422906080 398157309 /nfs/dbraw/zinc/15/73/09/398157309.db2.gz UECOTXCTSUZOLA-FRRDWIJNSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@H](C[C@H]1CCCO1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422907811 398157962 /nfs/dbraw/zinc/15/79/62/398157962.db2.gz XRTCYNWKPZAHPO-LPWJVIDDSA-N 2 0 226.364 1.674 20 0 BDADRP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422907812 398158043 /nfs/dbraw/zinc/15/80/43/398158043.db2.gz XRTCYNWKPZAHPO-MROQNXINSA-N 2 0 226.364 1.674 20 0 BDADRP CC(C)NC(=O)CC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422939319 398158427 /nfs/dbraw/zinc/15/84/27/398158427.db2.gz LWRAANWXSVTVKT-RYUDHWBXSA-N 2 0 241.379 1.151 20 0 BDADRP CC(C)NC(=O)CC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422939318 398158529 /nfs/dbraw/zinc/15/85/29/398158529.db2.gz LWRAANWXSVTVKT-NWDGAFQWSA-N 2 0 241.379 1.151 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]C1CCC(CO)CC1 ZINC000379835300 398170487 /nfs/dbraw/zinc/17/04/87/398170487.db2.gz DIRPBVWDSLQMJO-FKZOYECMSA-N 2 0 240.391 1.645 20 0 BDADRP COC1(CC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CCC1 ZINC000379838837 398173715 /nfs/dbraw/zinc/17/37/15/398173715.db2.gz FXIMTBPKXJMTFF-VXGBXAGGSA-N 2 0 224.348 1.097 20 0 BDADRP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)ccn1 ZINC000336233894 178039393 /nfs/dbraw/zinc/03/93/93/178039393.db2.gz YGWXYWNGTLCZFV-RISCZKNCSA-N 2 0 233.359 1.820 20 0 BDADRP CCC[C@@H](O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000649351914 398164018 /nfs/dbraw/zinc/16/40/18/398164018.db2.gz PYOIMUUBWBOYQU-CQSZACIVSA-N 2 0 249.358 1.365 20 0 BDADRP COC[C@@H]([NH2+]CC1([NH3+])CCCCC1)C(C)C ZINC000423174594 398164543 /nfs/dbraw/zinc/16/45/43/398164543.db2.gz BGRGZEJAAKDCFM-GFCCVEGCSA-N 2 0 228.380 1.909 20 0 BDADRP [NH3+]CCCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423327030 398166511 /nfs/dbraw/zinc/16/65/11/398166511.db2.gz MRQLZPFVRWXWHU-JHJVBQTASA-N 2 0 238.375 1.663 20 0 BDADRP COCC1(CC[NH2+][C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000576227802 365529731 /nfs/dbraw/zinc/52/97/31/365529731.db2.gz IZNDXUDENHYHTH-MNOVXSKESA-N 2 0 214.353 1.519 20 0 BDADRP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430920063 192027403 /nfs/dbraw/zinc/02/74/03/192027403.db2.gz NJGRDNBBAZIJNZ-RDBSUJKOSA-N 2 0 240.391 1.862 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCS[C@H]1C ZINC000380364204 398196050 /nfs/dbraw/zinc/19/60/50/398196050.db2.gz ZWXFRUCQDOXZDY-DCAQKATOSA-N 2 0 232.393 1.224 20 0 BDADRP Cc1cc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)cc[nH+]1 ZINC000292251911 178118354 /nfs/dbraw/zinc/11/83/54/178118354.db2.gz KGPYABOTOQEJID-CQSZACIVSA-N 2 0 231.343 1.922 20 0 BDADRP CC(C)C[NH+]1CCN([C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000162661118 538923946 /nfs/dbraw/zinc/92/39/46/538923946.db2.gz JDZKZGHUUBDPBS-KBPBESRZSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[NH3+])CC(F)F ZINC000647801211 398207694 /nfs/dbraw/zinc/20/76/94/398207694.db2.gz RAGSGQSBERRWSL-XHNCKOQMSA-N 2 0 206.280 1.747 20 0 BDADRP CCC[C@@H](C[NH2+][C@H](C)CC[NH+](C)C)OC ZINC000386556224 398213331 /nfs/dbraw/zinc/21/33/31/398213331.db2.gz IBCVDGAEWLZHPV-NEPJUHHUSA-N 2 0 216.369 1.731 20 0 BDADRP Cc1cc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)on1 ZINC000069724158 398213912 /nfs/dbraw/zinc/21/39/12/398213912.db2.gz PFNUOIKBYHCJAU-LLVKDONJSA-N 2 0 223.320 1.544 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCS[C@@H]1C ZINC000647803968 398214559 /nfs/dbraw/zinc/21/45/59/398214559.db2.gz GGOCRYXUECNZOK-AXTSPUMRSA-N 2 0 202.367 1.596 20 0 BDADRP CC(C)[NH+]1CCC(NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000126077438 398218185 /nfs/dbraw/zinc/21/81/85/398218185.db2.gz RRFRWROSVANPPV-CYBMUJFWSA-N 2 0 239.407 1.448 20 0 BDADRP C([C@@H]1CC[NH2+]C1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000649413960 398212197 /nfs/dbraw/zinc/21/21/97/398212197.db2.gz YLXAYLHBAGNGII-ZIAGYGMSSA-N 2 0 237.391 1.014 20 0 BDADRP CC(C)[C@H](CO)[NH2+][C@H](C)CCCC[NH3+] ZINC000308646550 259300800 /nfs/dbraw/zinc/30/08/00/259300800.db2.gz HRHGMUXOABPBRO-MNOVXSKESA-N 2 0 202.342 1.110 20 0 BDADRP CCC(CC)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000336673927 168352073 /nfs/dbraw/zinc/35/20/73/168352073.db2.gz GWBYVMDWDFSQPB-QWHCGFSZSA-N 2 0 210.365 1.964 20 0 BDADRP Cn1cncc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000090168736 398228603 /nfs/dbraw/zinc/22/86/03/398228603.db2.gz ZVOASHWHLDBIAF-AWEZNQCLSA-N 2 0 248.374 1.384 20 0 BDADRP Cc1cc([C@H]2CCC[N@@H+]2CCOCC[NH3+])on1 ZINC000357079916 178265451 /nfs/dbraw/zinc/26/54/51/178265451.db2.gz LSOGRNNADPIIIK-LLVKDONJSA-N 2 0 239.319 1.095 20 0 BDADRP C[NH2+]CCC[NH2+][C@H](C)CCc1ccco1 ZINC000571669380 398243164 /nfs/dbraw/zinc/24/31/64/398243164.db2.gz JPSNTPNGZPNSLQ-LLVKDONJSA-N 2 0 210.321 1.800 20 0 BDADRP Fc1ccc(CC[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000094009477 398244571 /nfs/dbraw/zinc/24/45/71/398244571.db2.gz QZGVKUCYDYNFHD-UHFFFAOYSA-N 2 0 236.334 1.957 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000576584943 365630602 /nfs/dbraw/zinc/63/06/02/365630602.db2.gz PXOWKBNXOUOUHT-YNEHKIRRSA-N 2 0 225.380 1.045 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000576584942 365632291 /nfs/dbraw/zinc/63/22/91/365632291.db2.gz PXOWKBNXOUOUHT-XQQFMLRXSA-N 3 0 225.380 1.045 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2CCOCC2)[C@H](C)C1 ZINC000176000366 365641315 /nfs/dbraw/zinc/64/13/15/365641315.db2.gz MYMLIVURMNINHL-TZMCWYRMSA-N 2 0 240.391 1.733 20 0 BDADRP [NH3+]C[C@@H]1CCCCN1C[C@@H]1CCCCO1 ZINC000036231118 398258348 /nfs/dbraw/zinc/25/83/48/398258348.db2.gz KWTBHKXLHOWIHL-RYUDHWBXSA-N 2 0 212.337 1.369 20 0 BDADRP CC[C@@H](C)[C@H](C[NH2+]CC1CC[NH+](C)CC1)OC ZINC000381387208 398255295 /nfs/dbraw/zinc/25/52/95/398255295.db2.gz MTZIMSMOBCDGCO-OCCSQVGLSA-N 2 0 242.407 1.979 20 0 BDADRP C[C@H](CO)C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000650513234 398276011 /nfs/dbraw/zinc/27/60/11/398276011.db2.gz NMLXNICTBBGOPS-GFCCVEGCSA-N 2 0 240.391 1.326 20 0 BDADRP CC(C)N(C(=O)CN(C)C1CC([NH3+])C1)C(C)C ZINC000385216847 342694136 /nfs/dbraw/zinc/69/41/36/342694136.db2.gz RAJTWEFPJIHKNF-UHFFFAOYSA-N 2 0 241.379 1.053 20 0 BDADRP C[C@@H](c1ccccn1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631838147 398284039 /nfs/dbraw/zinc/28/40/39/398284039.db2.gz JOGYLPHSCQKIFH-GRYCIOLGSA-N 2 0 219.332 1.669 20 0 BDADRP CCC(CC)[NH2+]C[C@H](C)N1CC[NH+](CC)CC1 ZINC000053487605 168388127 /nfs/dbraw/zinc/38/81/27/168388127.db2.gz GWCYAFINGFNCKS-ZDUSSCGKSA-N 2 0 241.423 1.791 20 0 BDADRP CCC(CC)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000037859727 168388548 /nfs/dbraw/zinc/38/85/48/168388548.db2.gz ZLXSUEMJEUIKMQ-LBPRGKRZSA-N 2 0 214.353 1.221 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCCN(C)C1)C1CC[NH+](C)CC1 ZINC000040672692 538973049 /nfs/dbraw/zinc/97/30/49/538973049.db2.gz WNOARXGTKWIIPU-TZMCWYRMSA-N 2 0 239.407 1.401 20 0 BDADRP CC[C@H](COC)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401013534 529398657 /nfs/dbraw/zinc/39/86/57/529398657.db2.gz NMTOVDFGRBUXFP-WUHRBBMRSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(O)cc1 ZINC000049551670 539008841 /nfs/dbraw/zinc/00/88/41/539008841.db2.gz ARTSPSUTGWBTIG-LLVKDONJSA-N 2 0 222.332 1.822 20 0 BDADRP Cc1n[nH]cc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335632693 136241491 /nfs/dbraw/zinc/24/14/91/136241491.db2.gz IONBJLKQMMHLOA-OLZOCXBDSA-N 2 0 248.374 1.540 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]CC2=CC[N@H+](C)CC2)C1 ZINC000392184294 539027964 /nfs/dbraw/zinc/02/79/64/539027964.db2.gz BTGSMQQEXPPXEV-UONOGXRCSA-N 2 0 238.375 1.796 20 0 BDADRP c1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccn1 ZINC000335634109 136241733 /nfs/dbraw/zinc/24/17/33/136241733.db2.gz MFWBZADRNJSCRE-LSDHHAIUSA-N 2 0 245.370 1.903 20 0 BDADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C1CSC1 ZINC000389744699 539017387 /nfs/dbraw/zinc/01/73/87/539017387.db2.gz XAZRNZDEZWWANU-NSHDSACASA-N 2 0 228.405 1.956 20 0 BDADRP CC[NH+]1CCC(N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000335637606 136242733 /nfs/dbraw/zinc/24/27/33/136242733.db2.gz PYUQSIGFJLBHCS-WCQYABFASA-N 2 0 225.380 1.058 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCn3ccnc32)CC1 ZINC000379011161 346884605 /nfs/dbraw/zinc/88/46/05/346884605.db2.gz MIKGMORTMRLRHN-CYBMUJFWSA-N 2 0 248.374 1.649 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CCCC1CC1 ZINC000234715548 342939485 /nfs/dbraw/zinc/93/94/85/342939485.db2.gz JWDSDBGUAGOIEN-GFCCVEGCSA-N 2 0 214.353 1.520 20 0 BDADRP CC[NH+](CC)CCCNC(=O)C1([NH3+])CCCC1 ZINC000037616045 398332616 /nfs/dbraw/zinc/33/26/16/398332616.db2.gz KLFLVSVMSAQHST-UHFFFAOYSA-N 2 0 241.379 1.106 20 0 BDADRP CCC[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000037692142 398333973 /nfs/dbraw/zinc/33/39/73/398333973.db2.gz BYAQDIPSJNZYBA-UHFFFAOYSA-N 2 0 214.353 1.221 20 0 BDADRP C[C@H](CN[C@@H]1C[C@@H](C)n2ccnc21)[NH+](C)C ZINC000294179067 398341336 /nfs/dbraw/zinc/34/13/36/398341336.db2.gz RVUCKTUMRLCYFR-GMTAPVOTSA-N 2 0 222.336 1.429 20 0 BDADRP C[C@@H](NCC1([NH3+])CCCCCC1)[C@@H]1CCC[NH2+]1 ZINC000580311461 346891172 /nfs/dbraw/zinc/89/11/72/346891172.db2.gz LZXXSLHCPUTQGQ-OLZOCXBDSA-N 2 0 239.407 1.768 20 0 BDADRP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000576814742 365691148 /nfs/dbraw/zinc/69/11/48/365691148.db2.gz UQDJQPVNNFRQLM-SMDDNHRTSA-N 2 0 237.391 1.058 20 0 BDADRP CCc1cc(N2CCC[N@H+](CCO)CC2)cc[nH+]1 ZINC000307776984 529531976 /nfs/dbraw/zinc/53/19/76/529531976.db2.gz IBZBULCZDGNMMG-UHFFFAOYSA-N 2 0 249.358 1.148 20 0 BDADRP CSC1(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000235091979 342977283 /nfs/dbraw/zinc/97/72/83/342977283.db2.gz FNYQQTIQPLKSMP-NXEZZACHSA-N 2 0 214.378 1.742 20 0 BDADRP CSC1(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000308781221 346911193 /nfs/dbraw/zinc/91/11/93/346911193.db2.gz CUOGNDINFISMKT-PHIMTYICSA-N 2 0 226.389 1.423 20 0 BDADRP CC[NH+]1CCN(CC[NH+]2CCC(C)CC2)CC1 ZINC000041282607 342995847 /nfs/dbraw/zinc/99/58/47/342995847.db2.gz ZCIXSBWFUZDGMG-UHFFFAOYSA-N 2 0 239.407 1.356 20 0 BDADRP CCN(C)C[C@@H](O)C[N@H+](CC1CC1)C(C)C ZINC000309242277 259342605 /nfs/dbraw/zinc/34/26/05/259342605.db2.gz LAGZLTFILWJZSI-CYBMUJFWSA-N 2 0 228.380 1.419 20 0 BDADRP CCN(C)C[C@H](O)C[N@H+](CC1CC1)C(C)C ZINC000309242278 259342835 /nfs/dbraw/zinc/34/28/35/259342835.db2.gz LAGZLTFILWJZSI-ZDUSSCGKSA-N 2 0 228.380 1.419 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)C1CCOCC1 ZINC000235511987 343047809 /nfs/dbraw/zinc/04/78/09/343047809.db2.gz SGBLATNWPOYHLR-NSHDSACASA-N 2 0 226.364 1.391 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)C(C)(C)O ZINC000400716860 529651144 /nfs/dbraw/zinc/65/11/44/529651144.db2.gz NLBIWWXCFJQCPK-AXFHLTTASA-N 2 0 214.353 1.266 20 0 BDADRP CC[C@H](C)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000308863396 529659292 /nfs/dbraw/zinc/65/92/92/529659292.db2.gz CRIDPPUYDVFGOB-RWMBFGLXSA-N 2 0 210.365 1.964 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCCc1ccncc1 ZINC000576834444 365699122 /nfs/dbraw/zinc/69/91/22/365699122.db2.gz LCCSOBDYMVZVSV-OCCSQVGLSA-N 2 0 233.359 1.826 20 0 BDADRP CCCC[N@H+](C)C[C@H](C)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000576838969 365702705 /nfs/dbraw/zinc/70/27/05/365702705.db2.gz XEQAKTCJDFIHGE-MJBXVCDLSA-N 2 0 241.423 1.966 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000565226413 323034519 /nfs/dbraw/zinc/03/45/19/323034519.db2.gz KUNMWKTYXSPHSW-MGPQQGTHSA-N 2 0 239.407 1.720 20 0 BDADRP COCC[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000062079369 136271968 /nfs/dbraw/zinc/27/19/68/136271968.db2.gz MVQRHWBRCGSAPA-OLZOCXBDSA-N 2 0 228.380 1.733 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000121087345 343162862 /nfs/dbraw/zinc/16/28/62/343162862.db2.gz MNSMIPQVNFKLDU-SRVKXCTJSA-N 2 0 212.337 1.095 20 0 BDADRP CCC[NH+]1CCC(C[NH2+]CC2(O)CCC2)CC1 ZINC000580543710 365733882 /nfs/dbraw/zinc/73/38/82/365733882.db2.gz OXRGBPOZGZZNEZ-UHFFFAOYSA-N 2 0 240.391 1.613 20 0 BDADRP COCC[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000152095202 343208103 /nfs/dbraw/zinc/20/81/03/343208103.db2.gz FRRRJNPQMHJIMM-UHFFFAOYSA-N 2 0 214.353 1.343 20 0 BDADRP CC1(C)C[C@H]([NH2+][C@@H]2CCc3nc[nH]c3C2)CCO1 ZINC000634684616 343217763 /nfs/dbraw/zinc/21/77/63/343217763.db2.gz VWFGRLHWQHJTBY-GHMZBOCLSA-N 2 0 249.358 1.814 20 0 BDADRP CC(C)[C@@H](O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000087538330 136282046 /nfs/dbraw/zinc/28/20/46/136282046.db2.gz TWTHFSCVRFFHOR-ZDUSSCGKSA-N 2 0 228.380 1.277 20 0 BDADRP C[C@@H]1CC[C@@H](C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)O1 ZINC000634688270 343246547 /nfs/dbraw/zinc/24/65/47/343246547.db2.gz NMJDQOAJACJEDG-HZSPNIEDSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@H]1CC[C@@H](C[NH+]2CCC(C)([NH3+])CC2)O1 ZINC000634688439 343247122 /nfs/dbraw/zinc/24/71/22/343247122.db2.gz SLSVYOAAKRQXDR-QWRGUYRKSA-N 2 0 212.337 1.367 20 0 BDADRP [NH3+]C[C@H]1CCN(C[C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000634688117 343247579 /nfs/dbraw/zinc/24/75/79/343247579.db2.gz IORPSSKMVDTWGT-CHWSQXEVSA-N 2 0 245.370 1.549 20 0 BDADRP C[NH2+]CCC[N@H+](C)C1CCC(OC)CC1 ZINC000164302121 136292044 /nfs/dbraw/zinc/29/20/44/136292044.db2.gz CAEFZQLUVFVEDV-UHFFFAOYSA-N 2 0 214.353 1.485 20 0 BDADRP Cc1nccn1CCC[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000348756353 136297447 /nfs/dbraw/zinc/29/74/47/136297447.db2.gz NUTQFUZYJFZTFQ-WCQYABFASA-N 2 0 236.363 1.251 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)CC[NH2+]C(C)C ZINC000131958503 343297526 /nfs/dbraw/zinc/29/75/26/343297526.db2.gz REBHZOPTKYETMN-UHFFFAOYSA-N 2 0 229.368 1.008 20 0 BDADRP C[C@@H]1CN(CC[NH+]2CCCCC2)C[C@H](C)[N@H+]1C ZINC000335635422 136300784 /nfs/dbraw/zinc/30/07/84/136300784.db2.gz VOUOPTGVTQCLFS-OKILXGFUSA-N 2 0 239.407 1.497 20 0 BDADRP c1[nH]nc2c1cccc2CN[C@H]1CC[NH2+]C1 ZINC000335642592 136308785 /nfs/dbraw/zinc/30/87/85/136308785.db2.gz GEBRACUOKDQKQK-NSHDSACASA-N 2 0 216.288 1.014 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC000166217637 136309952 /nfs/dbraw/zinc/30/99/52/136309952.db2.gz BVLRQCZWGMHSIS-ZYHUDNBSSA-N 2 0 212.337 1.082 20 0 BDADRP COCC[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000081715811 343422746 /nfs/dbraw/zinc/42/27/46/343422746.db2.gz DQOPOMRUZYOSCI-DCAQKATOSA-N 2 0 200.326 1.081 20 0 BDADRP CCC[N@H+](CCC[NH+](C)C)CC1=CCCOC1 ZINC000349360791 136343398 /nfs/dbraw/zinc/34/33/98/136343398.db2.gz AOLDJOUGJCNJCC-UHFFFAOYSA-N 2 0 240.391 1.997 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]1CO ZINC000191481068 136361999 /nfs/dbraw/zinc/36/19/99/136361999.db2.gz QDDCOIBNEAWMOR-GFCCVEGCSA-N 2 0 214.353 1.175 20 0 BDADRP c1nc(C[NH2+]CC[C@H]2CCC[NH2+]C2)cs1 ZINC000082626958 343457206 /nfs/dbraw/zinc/45/72/06/343457206.db2.gz JVCBGPQUGYDYHY-SNVBAGLBSA-N 2 0 225.361 1.622 20 0 BDADRP CC(C)SCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000379498075 343568761 /nfs/dbraw/zinc/56/87/61/343568761.db2.gz HMDLDDIEFBJYHD-PHIMTYICSA-N 2 0 214.378 1.279 20 0 BDADRP C[NH2+][C@@H](C)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000052395781 343600225 /nfs/dbraw/zinc/60/02/25/343600225.db2.gz YGVVGRFXNKZDQM-AAEUAGOBSA-N 2 0 249.358 1.013 20 0 BDADRP CCC[C@H](C)[N@H+](C)C[C@@H](O)CN(C)CC ZINC000380037768 343672653 /nfs/dbraw/zinc/67/26/53/343672653.db2.gz SORUZXUWNOCDGF-RYUDHWBXSA-N 2 0 216.369 1.419 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]CC2=CCCOC2)C1 ZINC000127733425 343745913 /nfs/dbraw/zinc/74/59/13/343745913.db2.gz IPFJNZMBHLSTHB-ZIAGYGMSSA-N 2 0 238.375 1.796 20 0 BDADRP C(C1CCCCC1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088287856 343718706 /nfs/dbraw/zinc/71/87/06/343718706.db2.gz CKKJXRJZHJWMFU-BETUJISGSA-N 2 0 208.349 1.718 20 0 BDADRP O[C@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000187879115 259370440 /nfs/dbraw/zinc/37/04/40/259370440.db2.gz LQGUNSNPUSZUJB-CRWXNKLISA-N 2 0 238.375 1.506 20 0 BDADRP CC[N@H+](C)C[C@H]1CCN(Cc2cn(C)cn2)C1 ZINC000683899206 488240967 /nfs/dbraw/zinc/24/09/67/488240967.db2.gz WKYXPHXMZODTCO-GFCCVEGCSA-N 2 0 236.363 1.194 20 0 BDADRP CCn1cc(CC[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cn1 ZINC000621775572 343900137 /nfs/dbraw/zinc/90/01/37/343900137.db2.gz SAPPDESVNQCIMK-YPMHNXCESA-N 2 0 236.363 1.115 20 0 BDADRP Cc1cc(C)n(CCN2C[C@H]3CCC[C@@]3([NH3+])C2)n1 ZINC000621783159 343907515 /nfs/dbraw/zinc/90/75/15/343907515.db2.gz XVTBVXYEXOCXSH-ZIAGYGMSSA-N 2 0 248.374 1.313 20 0 BDADRP CCOC[C@H](C)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732287 344106991 /nfs/dbraw/zinc/10/69/91/344106991.db2.gz CFCRNJQRPVZLGE-RYUDHWBXSA-N 2 0 228.380 1.779 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)C1 ZINC000634732762 344107259 /nfs/dbraw/zinc/10/72/59/344107259.db2.gz OHMRNOFZLNSXAX-QWHCGFSZSA-N 3 0 239.407 1.354 20 0 BDADRP C[C@H]1C[C@H](C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)CC[NH2+]1 ZINC000634733431 344113239 /nfs/dbraw/zinc/11/32/39/344113239.db2.gz FRKNAIIMWKJQFY-DGAVXFQQSA-N 3 0 237.391 1.106 20 0 BDADRP CN(C[C@@H](O)C[NH+](C1CC1)C1CC1)C1CC1 ZINC000625841814 344093339 /nfs/dbraw/zinc/09/33/39/344093339.db2.gz RBTBOZHVRAVEOV-CYBMUJFWSA-N 2 0 224.348 1.068 20 0 BDADRP CC[C@@H]([NH3+])C(=O)Nc1ccc(C)cc1C[NH+](C)C ZINC000130522724 344145028 /nfs/dbraw/zinc/14/50/28/344145028.db2.gz VFGMZMJQBMKKSL-GFCCVEGCSA-N 2 0 249.358 1.732 20 0 BDADRP C1C[C@@H]2C[C@H]([NH2+][C@@H]3CCSC3)CC[N@@H+]2C1 ZINC000130141691 344219051 /nfs/dbraw/zinc/21/90/51/344219051.db2.gz SDIQOBDQBHHNPB-IJLUTSLNSA-N 2 0 226.389 1.708 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@H](C)[C@H](C)OC ZINC000131854091 344237330 /nfs/dbraw/zinc/23/73/30/344237330.db2.gz OFTNDFBXWVMHHY-NEPJUHHUSA-N 2 0 216.369 1.731 20 0 BDADRP CC[C@H]([NH3+])C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000580324381 347040410 /nfs/dbraw/zinc/04/04/10/347040410.db2.gz QTJOEPKAMSBBDK-KWQFWETISA-N 2 0 221.304 1.382 20 0 BDADRP CC[C@H]1C[C@H](C[N@H+](C)CCC[NH3+])CCO1 ZINC000381239145 344241507 /nfs/dbraw/zinc/24/15/07/344241507.db2.gz MPRLVWSYZBBEGR-NEPJUHHUSA-N 2 0 214.353 1.472 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H](NC2CC[NH+](C3CC3)CC2)C1 ZINC000093214228 344312203 /nfs/dbraw/zinc/31/22/03/344312203.db2.gz NYXRRGMRAVJIGN-DGCLKSJQSA-N 2 0 237.391 1.473 20 0 BDADRP CC1CCN(CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000093215417 344312346 /nfs/dbraw/zinc/31/23/46/344312346.db2.gz QPQRYNBTQJTFQN-UONOGXRCSA-N 2 0 239.407 1.578 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CCCc2ccccc2C1 ZINC000093232478 344312794 /nfs/dbraw/zinc/31/27/94/344312794.db2.gz MYVXFDVEQLVAAG-UHFFFAOYSA-N 2 0 234.343 1.410 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1C[C@@H]2COC[C@@H]2C1 ZINC000634779969 344316321 /nfs/dbraw/zinc/31/63/21/344316321.db2.gz NHIJXJSQLUBXDD-XQQFMLRXSA-N 2 0 224.348 1.049 20 0 BDADRP CC(C)OCC[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000133301673 344317188 /nfs/dbraw/zinc/31/71/88/344317188.db2.gz LVCTYKMDRVHYIC-GFCCVEGCSA-N 2 0 216.369 1.717 20 0 BDADRP C[NH2+][C@@H](C)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000573576296 344320218 /nfs/dbraw/zinc/32/02/18/344320218.db2.gz JWZPZHXRGXKVIK-NSHDSACASA-N 2 0 249.358 1.603 20 0 BDADRP COC(=O)CCCC[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000600708207 344361186 /nfs/dbraw/zinc/36/11/86/344361186.db2.gz DOAJRFRZNZYDBU-NEPJUHHUSA-N 2 0 242.363 1.246 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000363688105 344427130 /nfs/dbraw/zinc/42/71/30/344427130.db2.gz QJXUXJGFLHRDEK-RYUDHWBXSA-N 2 0 241.379 1.152 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CN1CCCOc1ccccc1 ZINC000385202733 344376535 /nfs/dbraw/zinc/37/65/35/344376535.db2.gz BSNHYMRLSSKYCZ-CHWSQXEVSA-N 2 0 234.343 1.877 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1CCSC1 ZINC000577280544 344490138 /nfs/dbraw/zinc/49/01/38/344490138.db2.gz WSPSVUIGRHHHKZ-IVZWLZJFSA-N 2 0 202.367 1.455 20 0 BDADRP COC(=O)C(C)(C)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000158242644 344570009 /nfs/dbraw/zinc/57/00/09/344570009.db2.gz WDUPICAVDWSCGT-MNOVXSKESA-N 2 0 242.363 1.258 20 0 BDADRP Cc1ncc(C[NH2+]CCCC[NH+](C)C)s1 ZINC000045598255 344573657 /nfs/dbraw/zinc/57/36/57/344573657.db2.gz KMWALDYXAUIDBI-UHFFFAOYSA-N 2 0 227.377 1.883 20 0 BDADRP C[C@@H](O)CC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000044170034 344536611 /nfs/dbraw/zinc/53/66/11/344536611.db2.gz PENJOAJZSVCHEK-LLVKDONJSA-N 2 0 214.353 1.031 20 0 BDADRP COCC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000081708742 344667828 /nfs/dbraw/zinc/66/78/28/344667828.db2.gz PMDNEIJJCFNLPH-WODVXLOZSA-N 2 0 226.364 1.626 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C2CC2)C1 ZINC000400002280 344747599 /nfs/dbraw/zinc/74/75/99/344747599.db2.gz OMLPVYFWEFNROD-CHWSQXEVSA-N 2 0 226.364 1.031 20 0 BDADRP c1ccc(NCCCC[NH+]2CCOCC2)nc1 ZINC000076801489 344806492 /nfs/dbraw/zinc/80/64/92/344806492.db2.gz MJELHSLHAJGKHW-UHFFFAOYSA-N 2 0 235.331 1.606 20 0 BDADRP Cc1cnccc1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000385048560 344840069 /nfs/dbraw/zinc/84/00/69/344840069.db2.gz QDVHKRWHCXRDDT-LBPRGKRZSA-N 2 0 233.359 1.949 20 0 BDADRP CC(C)C[C@@H]1C[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000385480040 344833260 /nfs/dbraw/zinc/83/32/60/344833260.db2.gz NTTHZGKGGVQEEL-HZSPNIEDSA-N 2 0 240.391 1.467 20 0 BDADRP COc1ccc(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)cn1 ZINC000311026419 344907044 /nfs/dbraw/zinc/90/70/44/344907044.db2.gz CFMSUKBNOSORMN-OLZOCXBDSA-N 2 0 247.342 1.274 20 0 BDADRP CC[C@H](C(=O)N[C@@H](C)C[NH+](CC)CC)[NH+](C)C ZINC000338970429 537873522 /nfs/dbraw/zinc/87/35/22/537873522.db2.gz SWNVKMDIXUOTFC-NWDGAFQWSA-N 2 0 243.395 1.173 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156074867 345123688 /nfs/dbraw/zinc/12/36/88/345123688.db2.gz DZQUXGUXGJWKFP-ZIAGYGMSSA-N 3 0 239.407 1.545 20 0 BDADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccon1 ZINC000634983416 345166485 /nfs/dbraw/zinc/16/64/85/345166485.db2.gz NIEPXJQGQXLHOV-UHFFFAOYSA-N 2 0 225.336 1.885 20 0 BDADRP C(C1CC1)[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000156522759 345172092 /nfs/dbraw/zinc/17/20/92/345172092.db2.gz UOMGJVAUOMWZBN-CYBMUJFWSA-N 2 0 224.348 1.051 20 0 BDADRP CC(C)[C@H](C[NH3+])CN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000634990789 345173294 /nfs/dbraw/zinc/17/32/94/345173294.db2.gz CMBDKVFGYJQGAF-YNEHKIRRSA-N 2 0 227.396 1.277 20 0 BDADRP CC(C)[C@H](C[NH3+])C[NH2+]Cc1cccc(N)c1 ZINC000634996708 345191289 /nfs/dbraw/zinc/19/12/89/345191289.db2.gz RHBDZZGGAXRFTE-GFCCVEGCSA-N 2 0 221.348 1.589 20 0 BDADRP C[C@@H]1C[C@H](N(C)CC23CC(C2)C[NH2+]3)CC[N@@H+]1C ZINC000634993556 345190442 /nfs/dbraw/zinc/19/04/42/345190442.db2.gz XZWFECVFEIZUIR-NELGMTEASA-N 2 0 237.391 1.153 20 0 BDADRP C[C@H]1CSCCN1CC12CC(C1)C[NH2+]2 ZINC000634993538 345190694 /nfs/dbraw/zinc/19/06/94/345190694.db2.gz XPEAFKGOZFFWGI-WHXUTIOJSA-N 2 0 212.362 1.176 20 0 BDADRP CC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)[C@H]1CCCO1 ZINC000634996076 345186412 /nfs/dbraw/zinc/18/64/12/345186412.db2.gz YVLODTCFNZIQTH-CMOBGSAGSA-N 2 0 224.348 1.286 20 0 BDADRP CC(C)[C@@H](C[NH3+])C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000634996115 345186506 /nfs/dbraw/zinc/18/65/06/345186506.db2.gz ZQKAHKFXMJJMEV-IHRRRGAJSA-N 3 0 241.423 1.572 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCOCc1ccccc1 ZINC000390231662 259382970 /nfs/dbraw/zinc/38/29/70/259382970.db2.gz HPEZCYLLVQGAEB-LSDHHAIUSA-N 2 0 248.370 1.920 20 0 BDADRP C[C@@H]1CC2(C[N@@H+]1CC13CC(C1)C[NH2+]3)CC[NH2+]CC2 ZINC000634996346 345187574 /nfs/dbraw/zinc/18/75/74/345187574.db2.gz HMLQUJIBXMJLJO-DNOWBOINSA-N 2 0 249.402 1.202 20 0 BDADRP COC[C@@H](CC(C)(C)C)NCC12CC(C1)C[NH2+]2 ZINC000634996285 345187743 /nfs/dbraw/zinc/18/77/43/345187743.db2.gz FPIDMQSZDCACRI-MBHSVXNSSA-N 2 0 240.391 1.779 20 0 BDADRP CC(C)[C@H](C[NH3+])CN1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000634997669 345193252 /nfs/dbraw/zinc/19/32/52/345193252.db2.gz QEWXQWOXVFHYQF-JHJVBQTASA-N 3 0 225.380 1.031 20 0 BDADRP CC(C)(C)[NH2+]CCN1CCCCC[C@@H]([NH3+])C1 ZINC000634997161 345194654 /nfs/dbraw/zinc/19/46/54/345194654.db2.gz FDORJSCFWYATND-GFCCVEGCSA-N 2 0 227.396 1.578 20 0 BDADRP CCCn1cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cn1 ZINC000634999076 345199697 /nfs/dbraw/zinc/19/96/97/345199697.db2.gz PQGBIPCBXFHUTA-WCQYABFASA-N 2 0 236.363 1.320 20 0 BDADRP CC1(C[NH+]2CCC([NH2+]CCO)CC2)CCC1 ZINC000635001134 345202723 /nfs/dbraw/zinc/20/27/23/345202723.db2.gz HXPRKMIZSBMIGA-UHFFFAOYSA-N 2 0 226.364 1.223 20 0 BDADRP [NH3+]C1CCC([NH2+][C@H]2CCCn3nccc32)CC1 ZINC000635001901 345203178 /nfs/dbraw/zinc/20/31/78/345203178.db2.gz IRQBMJWBJBDUSO-MCIGGMRASA-N 2 0 234.347 1.578 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1NCc1cccc2c1CC[NH2+]C2 ZINC000635003464 345206495 /nfs/dbraw/zinc/20/64/95/345206495.db2.gz JWDQIMVGSMQFTE-GJZGRUSLSA-N 2 0 245.370 1.302 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000635003690 345206914 /nfs/dbraw/zinc/20/69/14/345206914.db2.gz KJSNZCBWCIZNFW-GMTAPVOTSA-N 2 0 200.326 1.007 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635004846 345208293 /nfs/dbraw/zinc/20/82/93/345208293.db2.gz QKBAMRNUPUHFTL-NWDGAFQWSA-N 3 0 247.386 1.548 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000635004905 345208471 /nfs/dbraw/zinc/20/84/71/345208471.db2.gz RECMRUVKUHHTKI-YNEHKIRRSA-N 2 0 228.380 1.515 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1cn[nH]c1 ZINC000635005867 345209921 /nfs/dbraw/zinc/20/99/21/345209921.db2.gz PSRONODAOBITDH-CKYFFXLPSA-N 2 0 222.336 1.578 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000635009768 345211892 /nfs/dbraw/zinc/21/18/92/345211892.db2.gz ZIIBUGMLFQVTDU-RWMBFGLXSA-N 3 0 239.407 1.482 20 0 BDADRP CC[C@H](COC)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635012080 345214089 /nfs/dbraw/zinc/21/40/89/345214089.db2.gz SZCAVUWGDSPHHK-CQSZACIVSA-N 2 0 248.370 1.847 20 0 BDADRP C[C@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)C1CC1 ZINC000635007704 345214971 /nfs/dbraw/zinc/21/49/71/345214971.db2.gz GJBSRRSCZOKPKT-NSHDSACASA-N 2 0 246.358 1.702 20 0 BDADRP COC[C@H](C)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000132166377 345320570 /nfs/dbraw/zinc/32/05/70/345320570.db2.gz WAJVRPODLXERIL-TZMCWYRMSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC[C@@H](O)C1)C1CC[NH+](C)CC1 ZINC000235508686 537894677 /nfs/dbraw/zinc/89/46/77/537894677.db2.gz VRJJHMKAFGRBHF-OUCADQQQSA-N 2 0 240.391 1.467 20 0 BDADRP C[N@@H+]1CCC[C@H]2C[NH+](CCCF)CC[C@@H]21 ZINC000158481378 345338456 /nfs/dbraw/zinc/33/84/56/345338456.db2.gz HEOIZCGOJGKGKD-RYUDHWBXSA-N 2 0 214.328 1.762 20 0 BDADRP C([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCOC1 ZINC000158635072 345358123 /nfs/dbraw/zinc/35/81/23/345358123.db2.gz OQBXLCQPYUAFCY-RWMBFGLXSA-N 2 0 224.348 1.239 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC2(CC2)CC1 ZINC000626115145 345328315 /nfs/dbraw/zinc/32/83/15/345328315.db2.gz HJIKIYRXWMFXJO-ZDUSSCGKSA-N 2 0 240.391 1.565 20 0 BDADRP CC(C)c1nccn1CC(=O)NCc1ncc[nH]1 ZINC000635549589 345604169 /nfs/dbraw/zinc/60/41/69/345604169.db2.gz AXINUBLPQUDJEY-UHFFFAOYSA-N 2 0 247.302 1.046 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+]C[C@H]1CCCOC1 ZINC000224539738 535004674 /nfs/dbraw/zinc/00/46/74/535004674.db2.gz WQZLGIKGXFYPHX-CYBMUJFWSA-N 2 0 228.380 1.733 20 0 BDADRP CN(CC[N@H+](C)C1CC[NH2+]CC1)c1ccccc1 ZINC000220673566 345746728 /nfs/dbraw/zinc/74/67/28/345746728.db2.gz ODHLGQIKQVIIHZ-UHFFFAOYSA-N 2 0 247.386 1.807 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+][C@@H](CO)c2ccccc2)C1 ZINC000093216058 345857749 /nfs/dbraw/zinc/85/77/49/345857749.db2.gz RNWAUZMOAOMUHV-MJBXVCDLSA-N 2 0 234.343 1.580 20 0 BDADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ncc[nH]1 ZINC000285499977 537923461 /nfs/dbraw/zinc/92/34/61/537923461.db2.gz ADYMOOWDKTWUIE-SNVBAGLBSA-N 2 0 210.325 1.402 20 0 BDADRP CCCN(CCC[NH+](C)C)C(=O)[C@@H](C)[NH+](C)C ZINC000635842909 346084678 /nfs/dbraw/zinc/08/46/78/346084678.db2.gz RQVMEABSZLWPGJ-GFCCVEGCSA-N 2 0 243.395 1.127 20 0 BDADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H](CC(C)C)C1 ZINC000563268855 323107204 /nfs/dbraw/zinc/10/72/04/323107204.db2.gz NCTSPJLLKYKPTC-OLZOCXBDSA-N 2 0 228.380 1.325 20 0 BDADRP CC[NH+](CC)CCOCC[NH2+]C(C)C ZINC000051863056 346166213 /nfs/dbraw/zinc/16/62/13/346166213.db2.gz WJAUIQAMAZFOSN-UHFFFAOYSA-N 2 0 202.342 1.343 20 0 BDADRP Cc1nc(C)c(C[NH2+]CC2=CC[N@H+](C)CC2)o1 ZINC000628231830 346184722 /nfs/dbraw/zinc/18/47/22/346184722.db2.gz CNOYZQDWLMLBEG-UHFFFAOYSA-N 2 0 235.331 1.643 20 0 BDADRP C[N@H+]1C[C@@H]2C[NH+](C[C@]3(C)CCCS3)C[C@@H]2C1 ZINC000628253308 346229453 /nfs/dbraw/zinc/22/94/53/346229453.db2.gz BEIXDWSRMWYCSA-XQQFMLRXSA-N 2 0 240.416 1.766 20 0 BDADRP Nc1cnccc1C[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000641755526 362681547 /nfs/dbraw/zinc/68/15/47/362681547.db2.gz LQEOAIDNIVUOPK-SNVBAGLBSA-N 2 0 243.314 1.034 20 0 BDADRP Cc1cccc(C[NH+]2CCC(O)(C[NH3+])CC2)c1 ZINC000071544584 179075036 /nfs/dbraw/zinc/07/50/36/179075036.db2.gz JNSYCMGBSZCEQX-UHFFFAOYSA-N 2 0 234.343 1.281 20 0 BDADRP Cc1cccc(C[NH2+]CCN2CC[NH2+]CC2)c1C ZINC000083377661 179091571 /nfs/dbraw/zinc/09/15/71/179091571.db2.gz SSUBDHWXTPQAQQ-UHFFFAOYSA-N 2 0 247.386 1.298 20 0 BDADRP C[C@@H](O)[C@@H](C)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000580829357 346473586 /nfs/dbraw/zinc/47/35/86/346473586.db2.gz AEOUIGPDYCSBTA-VXGBXAGGSA-N 2 0 228.380 1.467 20 0 BDADRP Cc1c[nH+]ccc1N1CC[NH+](CC2CC2)CC1 ZINC000191979305 259390053 /nfs/dbraw/zinc/39/00/53/259390053.db2.gz MAOYAVZQNOVTEV-UHFFFAOYSA-N 2 0 231.343 1.922 20 0 BDADRP C[C@@H]1CC[C@H](CN)[N@H+](CC2CC[NH2+]CC2)[C@H]1C ZINC000641805627 362763412 /nfs/dbraw/zinc/76/34/12/362763412.db2.gz FWSRSSLFMQDKSM-MBNYWOFBSA-N 2 0 239.407 1.434 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(O)c1 ZINC000580074964 346511052 /nfs/dbraw/zinc/51/10/52/346511052.db2.gz PMGNTHMVLSLZSZ-UWVGGRQHSA-N 2 0 208.305 1.608 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCCc1ccncc1 ZINC000641802269 362757784 /nfs/dbraw/zinc/75/77/84/362757784.db2.gz IRAUQADCRUAQMP-OLZOCXBDSA-N 2 0 233.359 1.730 20 0 BDADRP CCn1ccnc1C[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000577151621 365839253 /nfs/dbraw/zinc/83/92/53/365839253.db2.gz JKMOHSVFHGAPIZ-JTQLQIEISA-N 2 0 245.330 1.273 20 0 BDADRP CCC[NH+]1CCC(C[NH2+]C[C@H](C)COC)CC1 ZINC000187861454 346633843 /nfs/dbraw/zinc/63/38/43/346633843.db2.gz JCJFUGCGTLBMFK-ZDUSSCGKSA-N 2 0 242.407 1.981 20 0 BDADRP CCOC[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624121011 346682648 /nfs/dbraw/zinc/68/26/48/346682648.db2.gz LNQHZYYARYMFQB-CHWSQXEVSA-N 2 0 228.380 1.733 20 0 BDADRP CCOC[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624121014 346683094 /nfs/dbraw/zinc/68/30/94/346683094.db2.gz LNQHZYYARYMFQB-STQMWFEESA-N 2 0 228.380 1.733 20 0 BDADRP CC(C)(C)[NH2+]CCN1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622004197 370654550 /nfs/dbraw/zinc/65/45/50/370654550.db2.gz LTJHXPJBJMGORF-WCQYABFASA-N 2 0 225.380 1.188 20 0 BDADRP COCC1(CC[NH2+][C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000580329008 347168689 /nfs/dbraw/zinc/16/86/89/347168689.db2.gz SZGQEAQKYMYNAI-NWDGAFQWSA-N 2 0 226.364 1.520 20 0 BDADRP C[C@H]1C[C@H](C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)CC[NH2+]1 ZINC000582062273 347160177 /nfs/dbraw/zinc/16/01/77/347160177.db2.gz APPYGLXUGVAWFY-DGAVXFQQSA-N 2 0 238.375 1.485 20 0 BDADRP Cn1cncc1CC[NH+]1CCC(CC[NH3+])CC1 ZINC000641819925 362771373 /nfs/dbraw/zinc/77/13/73/362771373.db2.gz IEYVXMKVHANOIW-UHFFFAOYSA-N 2 0 236.363 1.023 20 0 BDADRP Cc1cccc([C@H](C)[NH2+]C[C@]2(O)CCN(C)C2)c1 ZINC000358251459 179197012 /nfs/dbraw/zinc/19/70/12/179197012.db2.gz MFVSTBRKOUDHMQ-DZGCQCFKSA-N 2 0 248.370 1.712 20 0 BDADRP COC[C@H](C)C[NH2+][C@H](C)CN1CCC[C@H](C)C1 ZINC000187707967 347263759 /nfs/dbraw/zinc/26/37/59/347263759.db2.gz ORFFOZQDTCDUIT-BFHYXJOUSA-N 2 0 242.407 1.979 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](C[C@H]2CCCCO2)C1 ZINC000250728768 362818690 /nfs/dbraw/zinc/81/86/90/362818690.db2.gz JZDLYSKDBHDECT-VXGBXAGGSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H](C[NH2+][C@@H](C)CCCCO)C[NH+]1CCCC1 ZINC000679333327 488341014 /nfs/dbraw/zinc/34/10/14/488341014.db2.gz JMSZZTIIVYFKMP-KBPBESRZSA-N 2 0 242.407 1.859 20 0 BDADRP CCOCCCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000388382076 347375169 /nfs/dbraw/zinc/37/51/69/347375169.db2.gz RQMPSXVDXBJIFX-QWHCGFSZSA-N 2 0 228.380 1.910 20 0 BDADRP CCCC[C@@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000149798735 347519611 /nfs/dbraw/zinc/51/96/11/347519611.db2.gz YFWQUGYUKVPBDI-LLVKDONJSA-N 2 0 214.353 1.663 20 0 BDADRP CSCC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000591567783 347671121 /nfs/dbraw/zinc/67/11/21/347671121.db2.gz DHUFAXFAJHJDDJ-NXEZZACHSA-N 2 0 202.367 1.327 20 0 BDADRP COC(=O)C(C)(C)CC[N@H+](C)CCC[NH+](C)C ZINC000577306269 365923693 /nfs/dbraw/zinc/92/36/93/365923693.db2.gz WDVYEYFYBVMCMU-UHFFFAOYSA-N 2 0 244.379 1.459 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C[C@H]1C ZINC000252981187 347832782 /nfs/dbraw/zinc/83/27/82/347832782.db2.gz QAZVJORZQAIJIY-JHJVBQTASA-N 2 0 210.365 1.964 20 0 BDADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NC[C@H]([NH3+])C(C)C ZINC000295191608 179324814 /nfs/dbraw/zinc/32/48/14/179324814.db2.gz OCTBCRNCQBLBDH-QWHCGFSZSA-N 2 0 249.358 1.094 20 0 BDADRP C[NH+](C)[C@H](CNC1CC[NH2+]CC1)c1ccccc1 ZINC000038040618 348032593 /nfs/dbraw/zinc/03/25/93/348032593.db2.gz TUWHQBHPMQZSNW-OAHLLOKOSA-N 2 0 247.386 1.631 20 0 BDADRP Cc1cccnc1C[NH+]1CCC(C[NH3+])CC1 ZINC000161109680 179373457 /nfs/dbraw/zinc/37/34/57/179373457.db2.gz UNTUWUIJYMCGAZ-UHFFFAOYSA-N 2 0 219.332 1.561 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H](C)O2)C1 ZINC000251616471 362891764 /nfs/dbraw/zinc/89/17/64/362891764.db2.gz DFJDEWLDPOFHRD-AVGNSLFASA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cccs2)CC[C@H]1[NH3+] ZINC000251733423 362903904 /nfs/dbraw/zinc/90/39/04/362903904.db2.gz KKIYSSXHIBHNQU-MWLCHTKSSA-N 2 0 210.346 1.917 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000398566644 323186675 /nfs/dbraw/zinc/18/66/75/323186675.db2.gz DSOIASNLXATGBD-AAVRWANBSA-N 2 0 242.407 1.856 20 0 BDADRP CC(C)(C)[C@@H]1CCC[N@@H+]1CCOCC[NH3+] ZINC000261596315 535074698 /nfs/dbraw/zinc/07/46/98/535074698.db2.gz YSCONEGAKLMLSV-NSHDSACASA-N 2 0 214.353 1.472 20 0 BDADRP C[C@H]1CC[N@H+](CCc2cccnc2)C[C@H]1C[NH3+] ZINC000253192693 348446214 /nfs/dbraw/zinc/44/62/14/348446214.db2.gz NNVRMDKQDSEFFF-GXTWGEPZSA-N 2 0 233.359 1.541 20 0 BDADRP CO[C@@H](C)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623504347 362928911 /nfs/dbraw/zinc/92/89/11/362928911.db2.gz KLBUXXFZUJCILP-SDDRHHMPSA-N 2 0 228.380 1.872 20 0 BDADRP CCSC1(C[NH2+][C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000596650049 348605374 /nfs/dbraw/zinc/60/53/74/348605374.db2.gz FREXRGDBFVYQQB-NXEZZACHSA-N 2 0 216.394 1.988 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H]2CO[C@@H](C)C2)CC1 ZINC000401891839 348607618 /nfs/dbraw/zinc/60/76/18/348607618.db2.gz ONNOFHFXSGYRPT-WCQYABFASA-N 2 0 226.364 1.628 20 0 BDADRP Cc1ncc(C[NH2+][C@H](CCO)C(C)(C)C)n1C ZINC000597084854 348656292 /nfs/dbraw/zinc/65/62/92/348656292.db2.gz YRJFIILVHSENPP-GFCCVEGCSA-N 2 0 239.363 1.615 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+]CCn2ccnc2)C1 ZINC000069847690 490187225 /nfs/dbraw/zinc/18/72/25/490187225.db2.gz SISMJBOIDABEKN-NEPJUHHUSA-N 2 0 223.320 1.430 20 0 BDADRP CCC[N@H+](CC)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000669383814 538012388 /nfs/dbraw/zinc/01/23/88/538012388.db2.gz YKPMPYOSZQSSML-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP COC1([C@@H](C)[NH2+]CCC[NH+](C)C)CCCC1 ZINC000421796963 192383805 /nfs/dbraw/zinc/38/38/05/192383805.db2.gz AEJRRTWHTIJDAY-GFCCVEGCSA-N 2 0 228.380 1.875 20 0 BDADRP CCC[C@@H](C)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000053486212 349065688 /nfs/dbraw/zinc/06/56/88/349065688.db2.gz ZJWIYTCTFRCBPP-OLZOCXBDSA-N 2 0 227.396 1.401 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000250822611 349180185 /nfs/dbraw/zinc/18/01/85/349180185.db2.gz GNLYEMQICJFHKK-XJFOESAGSA-N 2 0 237.391 1.473 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC[C@H]1CCCO1 ZINC000251697418 349173151 /nfs/dbraw/zinc/17/31/51/349173151.db2.gz BCDMCJMCPHYNAA-GRYCIOLGSA-N 2 0 212.337 1.367 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+]CC2=CCCOC2)CC1(C)C ZINC000623525353 362944771 /nfs/dbraw/zinc/94/47/71/362944771.db2.gz HQUYGJWPZWZCMY-CYBMUJFWSA-N 2 0 238.375 1.796 20 0 BDADRP CC[C@@H]1CCC[C@H]1[NH2+][C@H](CCC[NH3+])COC ZINC000388608742 349256757 /nfs/dbraw/zinc/25/67/57/349256757.db2.gz WYZIHIUNFLMBPJ-JHJVBQTASA-N 2 0 228.380 1.909 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+][C@H](C)CC[NH+](C)C)C1 ZINC000251148731 538037068 /nfs/dbraw/zinc/03/70/68/538037068.db2.gz AAYGXWIXAMYANO-JHJVBQTASA-N 2 0 228.380 1.874 20 0 BDADRP COC[C@H](C)C[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000309036704 349370286 /nfs/dbraw/zinc/37/02/86/349370286.db2.gz GPHJDHVDYPILDO-IJLUTSLNSA-N 2 0 214.353 1.186 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)COC)C1 ZINC000121866239 350014033 /nfs/dbraw/zinc/01/40/33/350014033.db2.gz GLDMTLVYEQXYEV-NWDGAFQWSA-N 2 0 214.353 1.343 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+]([C@@H](C)c2cnccn2)CC1 ZINC000070480050 350014991 /nfs/dbraw/zinc/01/49/91/350014991.db2.gz ZDEIPDMDOJTVDB-MNOVXSKESA-N 2 0 234.347 1.597 20 0 BDADRP C[C@H]([NH3+])c1ccc(C(=O)NCC(C)(C)[NH3+])cc1 ZINC000563103343 350056596 /nfs/dbraw/zinc/05/65/96/350056596.db2.gz HTKJDHDWWPYPPV-VIFPVBQESA-N 2 0 235.331 1.173 20 0 BDADRP Cc1nc([C@@H](C)N(C)CCCn2ccnc2)no1 ZINC000278663933 180032851 /nfs/dbraw/zinc/03/28/51/180032851.db2.gz QPFXRQQVENZVEK-SNVBAGLBSA-N 2 0 249.318 1.658 20 0 BDADRP C[C@H](CN[C@@H]1CCC[C@H]1[NH3+])C[NH+]1CCCCC1 ZINC000422714095 192439197 /nfs/dbraw/zinc/43/91/97/192439197.db2.gz QRUPTGIRLFHQCR-MGPQQGTHSA-N 2 0 239.407 1.578 20 0 BDADRP CC(C)[C@@H](CO)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132170051 191026892 /nfs/dbraw/zinc/02/68/92/191026892.db2.gz DOTDWQFRHDVYEW-MELADBBJSA-N 2 0 234.343 1.738 20 0 BDADRP CCOC[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000132430826 191033464 /nfs/dbraw/zinc/03/34/64/191033464.db2.gz UXYYVNBYVHVCQV-OLZOCXBDSA-N 2 0 228.380 1.733 20 0 BDADRP C[C@H](CN[C@H]1C[NH2+]CC[C@@H]1C)C[NH+]1CCCC1 ZINC000422723890 192442493 /nfs/dbraw/zinc/44/24/93/192442493.db2.gz STXLVFSJGQZSTD-RDBSUJKOSA-N 2 0 239.407 1.306 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000132839893 191035736 /nfs/dbraw/zinc/03/57/36/191035736.db2.gz HKAYVYSDAUZCST-AGIUHOORSA-N 2 0 226.364 1.485 20 0 BDADRP CC(C)[C@@H]1CCCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000396005615 323281876 /nfs/dbraw/zinc/28/18/76/323281876.db2.gz ZDOQZXCPMPKRSF-AWEZNQCLSA-N 2 0 239.407 1.402 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C(C)(C)O ZINC000623534055 362952558 /nfs/dbraw/zinc/95/25/58/362952558.db2.gz VRMCXOWWFYSXEE-NEPJUHHUSA-N 2 0 242.407 1.998 20 0 BDADRP C[C@@H](CCc1ccco1)[NH2+]C1CC[NH2+]CC1 ZINC000038040722 350302656 /nfs/dbraw/zinc/30/26/56/350302656.db2.gz PJIQOZFBDDZXKN-NSHDSACASA-N 2 0 222.332 1.942 20 0 BDADRP Cc1csc(CNC2CC[NH+](C)CC2)n1 ZINC000038090807 350304284 /nfs/dbraw/zinc/30/42/84/350304284.db2.gz UIDMQIIOIAHXIW-UHFFFAOYSA-N 2 0 225.361 1.635 20 0 BDADRP c1c([C@@H]2CCCC[NH2+]2)nnn1C1CC[NH2+]CC1 ZINC000725263201 538090038 /nfs/dbraw/zinc/09/00/38/538090038.db2.gz VSSBPHRWUQRTMO-NSHDSACASA-N 2 0 235.335 1.017 20 0 BDADRP Cc1ncsc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000070837118 180319047 /nfs/dbraw/zinc/31/90/47/180319047.db2.gz MLNNIPZRIAMDQQ-VIFPVBQESA-N 2 0 211.334 1.232 20 0 BDADRP C[C@H]([NH2+]CC1(N(C)C)CC1)C1CC[NH+](C)CC1 ZINC000397822089 490539799 /nfs/dbraw/zinc/53/97/99/490539799.db2.gz KIELBOMXQCPDKP-LBPRGKRZSA-N 3 0 239.407 1.401 20 0 BDADRP CC(C)[C@H]1C[C@@H]([NH2+]CCC[NH+](C)C)CCO1 ZINC000069858526 350416888 /nfs/dbraw/zinc/41/68/88/350416888.db2.gz WFWBDAMDYAQSIK-QWHCGFSZSA-N 2 0 228.380 1.731 20 0 BDADRP Cc1nn(C)c(C)c1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000336713196 180341017 /nfs/dbraw/zinc/34/10/17/180341017.db2.gz OHNHKPXBEYIUJT-JTQLQIEISA-N 2 0 238.379 1.644 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CCC2(CO)CC2)CC1(C)C ZINC000623540648 362958472 /nfs/dbraw/zinc/95/84/72/362958472.db2.gz AMDZZLKPAJUCRM-LBPRGKRZSA-N 2 0 240.391 1.611 20 0 BDADRP CC[N@@H+]1CC[C@@H](CN[C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000163257524 350511392 /nfs/dbraw/zinc/51/13/92/350511392.db2.gz IFGADPOCTBRJGY-MELADBBJSA-N 2 0 239.407 1.258 20 0 BDADRP CCCC[N@H+](C)CCN[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000163493941 350522601 /nfs/dbraw/zinc/52/26/01/350522601.db2.gz BDIWSPHLWKBZKK-ZIAGYGMSSA-N 2 0 241.423 1.791 20 0 BDADRP CCC[N@H+](CC)CCNC(=O)[C@@H](C[NH3+])C(C)C ZINC000228005802 350524385 /nfs/dbraw/zinc/52/43/85/350524385.db2.gz RJKVOZAPLVWICN-LBPRGKRZSA-N 2 0 243.395 1.065 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCN(C)C1)C1CCOCC1 ZINC000222588942 490647143 /nfs/dbraw/zinc/64/71/43/490647143.db2.gz CSKMSACLJVKNQS-WCQYABFASA-N 2 0 226.364 1.485 20 0 BDADRP C1=C(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)COCC1 ZINC000334502727 350674095 /nfs/dbraw/zinc/67/40/95/350674095.db2.gz JVKFQZDGRZKMCO-ZIAGYGMSSA-N 2 0 236.359 1.550 20 0 BDADRP CC[C@@H]1CCC[N@@H+]1C[C@H](O)CN(C)C1CC1 ZINC000336665656 350862329 /nfs/dbraw/zinc/86/23/29/350862329.db2.gz PQDWOJZWULQLPK-DGCLKSJQSA-N 2 0 226.364 1.316 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CCOCCF)CC1(C)C ZINC000623575405 363004549 /nfs/dbraw/zinc/00/45/49/363004549.db2.gz ZCWUSZLGMVYRDC-NSHDSACASA-N 2 0 232.343 1.435 20 0 BDADRP C[NH+](C)CCN1CCC([NH2+]CC(C)(C)C)CC1 ZINC000237155338 351345047 /nfs/dbraw/zinc/34/50/47/351345047.db2.gz KJLPFYGXEWZMMG-UHFFFAOYSA-N 2 0 241.423 1.648 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000253033111 535160545 /nfs/dbraw/zinc/16/05/45/535160545.db2.gz UIPBSPNWBAOSOY-MGPQQGTHSA-N 2 0 242.407 1.904 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000253029908 535160831 /nfs/dbraw/zinc/16/08/31/535160831.db2.gz QPTMQSPCGKCMGM-IGQOVBAYSA-N 2 0 240.391 1.514 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C(C2CC2)C2CC2)CC[NH2+]1 ZINC000572112103 323540125 /nfs/dbraw/zinc/54/01/25/323540125.db2.gz DWMWQSQQXSXVOD-CABZTGNLSA-N 2 0 208.349 1.905 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCc3n[nH]cc3C2)C1 ZINC000577626404 366023849 /nfs/dbraw/zinc/02/38/49/366023849.db2.gz DQBFGEZWFSPDKF-WOPDTQHZSA-N 2 0 234.347 1.127 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3n[nH]cc3C2)C1 ZINC000577626401 366024172 /nfs/dbraw/zinc/02/41/72/366024172.db2.gz DQBFGEZWFSPDKF-GRYCIOLGSA-N 2 0 234.347 1.127 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)CCC2C[NH2+]C2)c1 ZINC000637808928 351645589 /nfs/dbraw/zinc/64/55/89/351645589.db2.gz IMLYBGVGXJLHGJ-UHFFFAOYSA-N 2 0 247.342 1.344 20 0 BDADRP CC[NH2+][C@H](C)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000637809327 351646319 /nfs/dbraw/zinc/64/63/19/351646319.db2.gz PSFFWOHWFSTUFF-SNVBAGLBSA-N 2 0 235.331 1.343 20 0 BDADRP CC[NH2+]CCC[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000577720047 366042187 /nfs/dbraw/zinc/04/21/87/366042187.db2.gz NQMJWRRYHUPAGA-VXGBXAGGSA-N 2 0 214.353 1.391 20 0 BDADRP Cn1cc(CC[NH+]2CCC3(CC[NH2+]C3)CC2)cn1 ZINC000336528598 180638853 /nfs/dbraw/zinc/63/88/53/180638853.db2.gz CEZRTTXRTXUYLG-UHFFFAOYSA-N 2 0 248.374 1.038 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)[C@H]([NH3+])CCC(C)C ZINC000637867600 351731263 /nfs/dbraw/zinc/73/12/63/351731263.db2.gz VUMAHSJMVMMIGU-NWDGAFQWSA-N 2 0 243.395 1.384 20 0 BDADRP NC[C@H]([NH2+]CC1CC[NH2+]CC1)C1CCCCC1 ZINC000414851019 351830422 /nfs/dbraw/zinc/83/04/22/351830422.db2.gz OHXJJEHDDCNOFN-AWEZNQCLSA-N 2 0 239.407 1.483 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCC[C@H]2CCO2)C1 ZINC000638131747 352001933 /nfs/dbraw/zinc/00/19/33/352001933.db2.gz DRBJMQCOCROVAD-KBPBESRZSA-N 2 0 240.391 1.829 20 0 BDADRP CC(C)CC[C@@H]([NH3+])C(=O)Nc1ccc(C[NH3+])cc1 ZINC000638175101 352040569 /nfs/dbraw/zinc/04/05/69/352040569.db2.gz WMHHZPZHJNWWHM-CYBMUJFWSA-N 2 0 249.358 1.847 20 0 BDADRP CC(C)CC[C@@H]([NH3+])C(=O)N(C)C1(C[NH3+])CCC1 ZINC000638262546 352105238 /nfs/dbraw/zinc/10/52/38/352105238.db2.gz OEKJHSUUXRNWBR-LLVKDONJSA-N 2 0 241.379 1.090 20 0 BDADRP CC[NH+]1CCC(NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000414899950 352174463 /nfs/dbraw/zinc/17/44/63/352174463.db2.gz CWCXPPKPKQWASN-AWEZNQCLSA-N 2 0 239.407 1.450 20 0 BDADRP C(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C[C@@H]1CCO1 ZINC000638378474 352189303 /nfs/dbraw/zinc/18/93/03/352189303.db2.gz XEQWBVJKCGJDGG-MGPQQGTHSA-N 2 0 238.375 1.772 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)Cc2cnccn2)C1 ZINC000638380591 352191048 /nfs/dbraw/zinc/19/10/48/352191048.db2.gz CUGWDZKMEDRHHV-CHWSQXEVSA-N 2 0 248.374 1.339 20 0 BDADRP CCOC1CC(C[NH2+]C[C@H]2CC[N@H+](CC)C2)C1 ZINC000638381952 352193981 /nfs/dbraw/zinc/19/39/81/352193981.db2.gz RDKFPOZPNKTARD-IYXRBSQSSA-N 2 0 240.391 1.733 20 0 BDADRP CCN(CC[NH3+])C(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000638516259 352343619 /nfs/dbraw/zinc/34/36/19/352343619.db2.gz PZBMRUSJSAWNKM-LBPRGKRZSA-N 2 0 241.379 1.091 20 0 BDADRP CC[C@@H](C)C[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000414952031 352372200 /nfs/dbraw/zinc/37/22/00/352372200.db2.gz HSGZPBXBPTTZTN-VXGBXAGGSA-N 2 0 214.353 1.391 20 0 BDADRP CCOC1CC(C[NH2+]CC2CC[NH+](C)CC2)C1 ZINC000638567141 352394110 /nfs/dbraw/zinc/39/41/10/352394110.db2.gz XSKFIRNJSJROME-UHFFFAOYSA-N 2 0 240.391 1.733 20 0 BDADRP CO[C@@H](C[NH2+]C[C@H]1CCC[N@H+](C)C1)CC(C)C ZINC000638589389 352420601 /nfs/dbraw/zinc/42/06/01/352420601.db2.gz UBMAZGDFRJHSID-ZIAGYGMSSA-N 2 0 242.407 1.979 20 0 BDADRP CCOC1CC(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000638707694 352544106 /nfs/dbraw/zinc/54/41/06/352544106.db2.gz KGLFZJSXXZGMOU-ZIHBUVQPSA-N 2 0 240.391 1.874 20 0 BDADRP CCOC1CC(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000638707692 352544133 /nfs/dbraw/zinc/54/41/33/352544133.db2.gz KGLFZJSXXZGMOU-NELGMTEASA-N 2 0 240.391 1.874 20 0 BDADRP Cn1cnc2cc(C[N@@H+]3CC[C@H](C[NH3+])C3)ccc21 ZINC000334183992 352772814 /nfs/dbraw/zinc/77/28/14/352772814.db2.gz CTWZEXNKDAQQAH-GFCCVEGCSA-N 2 0 244.342 1.354 20 0 BDADRP C[C@]1(CN2CCC[C@@]3(CC[NH2+]C3)C2)CC[NH2+]C1 ZINC000334255682 352865562 /nfs/dbraw/zinc/86/55/62/352865562.db2.gz YUSKMRWPSQJWAB-KBPBESRZSA-N 3 0 237.391 1.062 20 0 BDADRP Cc1nccn1CC[N@H+]1CCC[C@H](CO)[C@H]1C ZINC000412099229 191260748 /nfs/dbraw/zinc/26/07/48/191260748.db2.gz WIJXMYQTSWCGPQ-DGCLKSJQSA-N 2 0 237.347 1.284 20 0 BDADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@@H]1CC1(F)F ZINC000638839221 353016671 /nfs/dbraw/zinc/01/66/71/353016671.db2.gz ZVCRKKGQKHGXQB-KOLCDFICSA-N 2 0 230.302 1.882 20 0 BDADRP CC(C)C[C@H]([NH3+])C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638821817 353002600 /nfs/dbraw/zinc/00/26/00/353002600.db2.gz BAVFJDBYCLSUFZ-NEPJUHHUSA-N 2 0 241.379 1.090 20 0 BDADRP CCOC1CC(C[NH2+]CCN2CC[C@H](C)C2)C1 ZINC000638870700 353043167 /nfs/dbraw/zinc/04/31/67/353043167.db2.gz GCHAOEZVKNBVRB-HSBZDZAISA-N 2 0 240.391 1.733 20 0 BDADRP CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000037619271 358475782 /nfs/dbraw/zinc/47/57/82/358475782.db2.gz KLNHHBTWRJJVMD-VXGBXAGGSA-N 2 0 241.379 1.104 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+]CCC[C@@H]2CCO2)CC1 ZINC000638963514 353173446 /nfs/dbraw/zinc/17/34/46/353173446.db2.gz ZPPLUVLWMLZRRW-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP COC[C@H](Cc1ccccc1)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422822393 192479431 /nfs/dbraw/zinc/47/94/31/192479431.db2.gz JVPMSIUFZPJEQE-DOMZBBRYSA-N 2 0 248.370 1.442 20 0 BDADRP CCn1nc(C)c(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c1C ZINC000572474109 323987677 /nfs/dbraw/zinc/98/76/77/323987677.db2.gz OYPGSSWCRXIQKD-NXEZZACHSA-N 2 0 238.379 1.735 20 0 BDADRP CCOc1cccc(C[NH2+]CCCC[NH3+])c1 ZINC000037715591 358476367 /nfs/dbraw/zinc/47/63/67/358476367.db2.gz UGLCAWBIKUQIIQ-UHFFFAOYSA-N 2 0 222.332 1.914 20 0 BDADRP CCO[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000161965569 538111689 /nfs/dbraw/zinc/11/16/89/538111689.db2.gz YMVWZCYQOGVULW-UONOGXRCSA-N 2 0 240.391 1.972 20 0 BDADRP CCOc1ccc(C[NH2+]CCCC[NH3+])cc1 ZINC000037714633 358476486 /nfs/dbraw/zinc/47/64/86/358476486.db2.gz FQVWMCNQZCJWJE-UHFFFAOYSA-N 2 0 222.332 1.914 20 0 BDADRP CC(C)[NH2+]CCC(=O)NC1(C[NH3+])CCCCC1 ZINC000639001344 353249526 /nfs/dbraw/zinc/24/95/26/353249526.db2.gz ILZQONUKGCUGLL-UHFFFAOYSA-N 2 0 241.379 1.152 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000250452019 353272222 /nfs/dbraw/zinc/27/22/22/353272222.db2.gz ZQMLHPWTJQVSAR-BFHYXJOUSA-N 2 0 239.407 1.578 20 0 BDADRP C[NH+]1CCC(C[NH2+]C2CCC(O)CC2)CC1 ZINC000054239853 188258973 /nfs/dbraw/zinc/25/89/73/188258973.db2.gz QNSPBBNOQMUFLS-UHFFFAOYSA-N 2 0 226.364 1.221 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000357066930 188239876 /nfs/dbraw/zinc/23/98/76/188239876.db2.gz DBPSKAUOELSBQL-NEPJUHHUSA-N 2 0 244.404 1.322 20 0 BDADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H](C)C2CC2)CC1 ZINC000361587363 188244024 /nfs/dbraw/zinc/24/40/24/188244024.db2.gz VQUWEKPADOOFKJ-GFCCVEGCSA-N 2 0 240.391 1.610 20 0 BDADRP CC(C)[NH+]1CCC(NCC[NH+]2CCCC2)CC1 ZINC000020126752 188248132 /nfs/dbraw/zinc/24/81/32/188248132.db2.gz CPUOXPIMAVXBRC-UHFFFAOYSA-N 2 0 239.407 1.545 20 0 BDADRP CC(C)[C@@](C)(CO)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000336667552 188256783 /nfs/dbraw/zinc/25/67/83/188256783.db2.gz MGKHNVYJFNDRBA-QWHCGFSZSA-N 2 0 228.380 1.467 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN(C)[C@@H]1CCSC1 ZINC000037175242 188279972 /nfs/dbraw/zinc/27/99/72/188279972.db2.gz CAXPRGPKDNJDJH-GHMZBOCLSA-N 2 0 216.394 1.797 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCOC2)CC1 ZINC000070964975 188287264 /nfs/dbraw/zinc/28/72/64/188287264.db2.gz RJKHFDPZBUFPMN-GFCCVEGCSA-N 2 0 212.337 1.238 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCN(C)C[C@@H]2C)CC[NH2+]1 ZINC000235368473 188305955 /nfs/dbraw/zinc/30/59/55/188305955.db2.gz GIYIOZUMWLIMNE-FRRDWIJNSA-N 2 0 225.380 1.010 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCn1cccn1 ZINC000127052004 188317048 /nfs/dbraw/zinc/31/70/48/188317048.db2.gz FBJAMFOJVQVQHN-STQMWFEESA-N 2 0 236.363 1.203 20 0 BDADRP CC(C)[NH+]1CCC(N(C)C(=O)CCC[NH3+])CC1 ZINC000037804620 358478348 /nfs/dbraw/zinc/47/83/48/358478348.db2.gz NNOAHXGIMQMIDF-UHFFFAOYSA-N 2 0 241.379 1.057 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]CCN2CCC2)CC1 ZINC000336671080 188341007 /nfs/dbraw/zinc/34/10/07/188341007.db2.gz NPIRQAPRXXNCIV-UHFFFAOYSA-N 2 0 225.380 1.155 20 0 BDADRP CC(C)N(C)CC[NH2+][C@@H]1CSC[C@@H]1C ZINC000336685171 188341409 /nfs/dbraw/zinc/34/14/09/188341409.db2.gz KREFHPKNNQRTCH-WDEREUQCSA-N 2 0 216.394 1.668 20 0 BDADRP Cc1nccn1CC[NH2+][C@H](C)C1(C)CC1 ZINC000308778972 188342055 /nfs/dbraw/zinc/34/20/55/188342055.db2.gz BTKVEQITNNYUJF-SNVBAGLBSA-N 2 0 207.321 1.970 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@H](C)[C@H]1CCCO1 ZINC000309453973 188345026 /nfs/dbraw/zinc/34/50/26/188345026.db2.gz QNFHLZMKVOBNQY-CHWSQXEVSA-N 2 0 228.380 1.874 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCOC(F)F ZINC000309806507 188346232 /nfs/dbraw/zinc/34/62/32/188346232.db2.gz SGPUECNGKOBGKM-UWVGGRQHSA-N 2 0 236.306 1.546 20 0 BDADRP C[NH2+][C@@H](C)C(=O)N1CC[C@@H](C[NH3+])c2ccccc21 ZINC000639066053 353377403 /nfs/dbraw/zinc/37/74/03/353377403.db2.gz SWGAHMFXKQYNFX-QWRGUYRKSA-N 2 0 247.342 1.074 20 0 BDADRP C[C@H](C[NH3+])C(=O)N1CC[C@H](C[NH3+])c2ccccc21 ZINC000639067282 353381553 /nfs/dbraw/zinc/38/15/53/353381553.db2.gz HXQZNPNEMWBDPU-GHMZBOCLSA-N 2 0 247.342 1.060 20 0 BDADRP [NH3+]CCCC(=O)N1CC[C@@H](C[NH3+])c2ccccc21 ZINC000639070633 353386395 /nfs/dbraw/zinc/38/63/95/353386395.db2.gz BZFLTTXTYJYQSF-NSHDSACASA-N 2 0 247.342 1.205 20 0 BDADRP CCOC1CC(C[NH2+]CC2(N(C)C)CCC2)C1 ZINC000639084953 353423001 /nfs/dbraw/zinc/42/30/01/353423001.db2.gz AZVLGVMBSVFKMG-UHFFFAOYSA-N 2 0 240.391 1.875 20 0 BDADRP C(C1CC1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063197493 188361620 /nfs/dbraw/zinc/36/16/20/188361620.db2.gz CIWYPGIDUXKTKV-CYBMUJFWSA-N 2 0 208.349 1.860 20 0 BDADRP CC(C)C[C@@H]([NH3+])c1noc(-c2c[nH+]ccc2N)n1 ZINC000339389023 188368736 /nfs/dbraw/zinc/36/87/36/188368736.db2.gz CUCNXOOOGHLXSB-SNVBAGLBSA-N 2 0 247.302 1.590 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000226543043 538116709 /nfs/dbraw/zinc/11/67/09/538116709.db2.gz YXXJCERVRPLCDC-MELADBBJSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1ccoc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000308871643 353586915 /nfs/dbraw/zinc/58/69/15/353586915.db2.gz ZEBLFROSMLINFR-WDEREUQCSA-N 2 0 208.305 1.948 20 0 BDADRP CC(C)(C)[NH2+]CCN[C@H](CO)c1ccccc1 ZINC000230974090 353556260 /nfs/dbraw/zinc/55/62/60/353556260.db2.gz QYAUPTLUUHUFFR-CYBMUJFWSA-N 2 0 236.359 1.698 20 0 BDADRP C[C@H]1CCCC[C@@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000022793107 353775724 /nfs/dbraw/zinc/77/57/24/353775724.db2.gz JEMDMFYDGKRQSR-STQMWFEESA-N 2 0 225.380 1.060 20 0 BDADRP C[C@H]1CC[NH+](CCOCC[N@H+]2CC[C@H](C)C2)C1 ZINC000343459318 353895908 /nfs/dbraw/zinc/89/59/08/353895908.db2.gz TUYJMLDVTTZBMY-KBPBESRZSA-N 2 0 240.391 1.687 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)CN1CC[NH+]1CCCCC1 ZINC000334522798 353890888 /nfs/dbraw/zinc/89/08/88/353890888.db2.gz ZSHBDNXDGRLWTB-ZIAGYGMSSA-N 2 0 239.407 1.497 20 0 BDADRP COCc1cccc(C[NH2+][C@@H]2CN(C)C[C@H]2C)c1 ZINC000343585021 353940285 /nfs/dbraw/zinc/94/02/85/353940285.db2.gz CUAUNMQRAUSSKZ-IUODEOHRSA-N 2 0 248.370 1.873 20 0 BDADRP C[NH+](C)[C@H]1CCC[N@H+](C[C@@H](O)C(C)(C)C)CC1 ZINC000343915931 354040646 /nfs/dbraw/zinc/04/06/46/354040646.db2.gz GALPHUXYVTXSRE-QWHCGFSZSA-N 2 0 242.407 1.810 20 0 BDADRP C[C@H]1CC[C@H]1[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639165897 354000957 /nfs/dbraw/zinc/00/09/57/354000957.db2.gz ATMULNZQCSFRRG-WCQYABFASA-N 2 0 240.391 1.610 20 0 BDADRP C[C@H](CCn1cccn1)[NH2+]CCCC[NH+](C)C ZINC000353843528 354020183 /nfs/dbraw/zinc/02/01/83/354020183.db2.gz PSJMDNQWQQHKRU-CYBMUJFWSA-N 2 0 238.379 1.593 20 0 BDADRP C[NH+](C)CCC[N@H+](C)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000639167711 354038918 /nfs/dbraw/zinc/03/89/18/354038918.db2.gz KABQWXADKTVDGO-CLLJXQQHSA-N 2 0 210.365 1.916 20 0 BDADRP CCC[N@@H+]1CCC[C@H]1CNc1ccnc(C)n1 ZINC000343931396 354046084 /nfs/dbraw/zinc/04/60/84/354046084.db2.gz BLNLOVZNDOXALY-LBPRGKRZSA-N 2 0 234.347 1.493 20 0 BDADRP Cn1cc(CCC[N@H+](C)CCC[NH+](C)C)cn1 ZINC000639167136 354046870 /nfs/dbraw/zinc/04/68/70/354046870.db2.gz AWZBZAGIBOEBPN-UHFFFAOYSA-N 2 0 238.379 1.236 20 0 BDADRP CO[C@H](C[N@H+](C)CCC[NH+](C)C)C1CC1 ZINC000639167186 354048512 /nfs/dbraw/zinc/04/85/12/354048512.db2.gz BGOQQDODLOZZFB-GFCCVEGCSA-N 2 0 214.353 1.295 20 0 BDADRP CC[C@@H](F)C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344032821 354095861 /nfs/dbraw/zinc/09/58/61/354095861.db2.gz DSOCJRSBVPYRQR-CYBMUJFWSA-N 2 0 247.402 1.550 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]CCC[C@H]2CCO2)C1 ZINC000639170738 354124689 /nfs/dbraw/zinc/12/46/89/354124689.db2.gz WVGKUPNRZKHYHN-KBPBESRZSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)(C)[C@@H](CCO)[NH2+]C1CC[NH2+]CC1 ZINC000231076151 363337365 /nfs/dbraw/zinc/33/73/65/363337365.db2.gz OHIKHKUDYNXVIZ-LLVKDONJSA-N 2 0 214.353 1.125 20 0 BDADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000449670776 202000713 /nfs/dbraw/zinc/00/07/13/202000713.db2.gz YKMONVYZLTWHEP-NOZJJQNGSA-N 2 0 247.342 1.602 20 0 BDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCC1CC[NH+](C)CC1 ZINC000344189412 354179203 /nfs/dbraw/zinc/17/92/03/354179203.db2.gz NCFMJVONSIRTNE-OCCSQVGLSA-N 2 0 239.407 1.258 20 0 BDADRP CC[N@H+](CCC[C@H]1CCO1)CCC[NH+](C)C ZINC000639175177 354192717 /nfs/dbraw/zinc/19/27/17/354192717.db2.gz ICHOQYLBADQMLO-ZDUSSCGKSA-N 2 0 228.380 1.829 20 0 BDADRP COCCCC[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231669464 363347472 /nfs/dbraw/zinc/34/74/72/363347472.db2.gz BAKSBDLHIDEYJD-GFCCVEGCSA-N 2 0 214.353 1.487 20 0 BDADRP CCN1C[C@H](C)[C@H]([NH2+]CC2=CC[N@H+](C)CC2)C1 ZINC000344304466 354215540 /nfs/dbraw/zinc/21/55/40/354215540.db2.gz UKIMGRNKFYCXTD-GXTWGEPZSA-N 2 0 237.391 1.178 20 0 BDADRP C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000334597044 354230677 /nfs/dbraw/zinc/23/06/77/354230677.db2.gz NLTLMXQGUFXAKY-FZMZJTMJSA-N 2 0 244.342 1.374 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000577960581 366144722 /nfs/dbraw/zinc/14/47/22/366144722.db2.gz MHCVXRKLEAIUSW-AGIUHOORSA-N 3 0 225.380 1.188 20 0 BDADRP CC[C@](C)(C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1)OC ZINC000639204161 354620593 /nfs/dbraw/zinc/62/05/93/354620593.db2.gz PKGMTXJOGBVMSN-ZIAGYGMSSA-N 2 0 240.391 1.829 20 0 BDADRP CCCCC[NH2+][C@@H](CCC[NH3+])COC ZINC000232965433 363390872 /nfs/dbraw/zinc/39/08/72/363390872.db2.gz LPMXSXOCUUWIBI-NSHDSACASA-N 2 0 202.342 1.520 20 0 BDADRP C[C@H](CC[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O)c1ccccc1 ZINC000345998400 354836042 /nfs/dbraw/zinc/83/60/42/354836042.db2.gz WHSBGUWMVOEFOF-YUELXQCFSA-N 2 0 248.370 1.350 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)CC1CC1 ZINC000234810564 363431928 /nfs/dbraw/zinc/43/19/28/363431928.db2.gz NQRUUVQDCKSJFN-PWSUYJOCSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@H]1[C@H](CO)CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000335173348 354939029 /nfs/dbraw/zinc/93/90/29/354939029.db2.gz NEDRUEFXJPYXRZ-AAEUAGOBSA-N 2 0 226.364 1.079 20 0 BDADRP C[NH2+][C@@H]1CCN(C[C@H](C)CC2CCOCC2)C1 ZINC000346639729 355015395 /nfs/dbraw/zinc/01/53/95/355015395.db2.gz JWNYOEQNTOLTHE-TZMCWYRMSA-N 2 0 240.391 1.733 20 0 BDADRP C[NH2+][C@H]1CCN(C[C@@H](C)CC2CCOCC2)C1 ZINC000346639726 355015469 /nfs/dbraw/zinc/01/54/69/355015469.db2.gz JWNYOEQNTOLTHE-JSGCOSHPSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CCN(Cc2ccn(C(F)F)n2)C1 ZINC000346691820 355075013 /nfs/dbraw/zinc/07/50/13/355075013.db2.gz WPQYLLNFDYUTTR-BDAKNGLRSA-N 2 0 244.289 1.447 20 0 BDADRP CC(C)[NH+]1CCC(N(C)CC(C)(C)[NH3+])CC1 ZINC000346860008 355118494 /nfs/dbraw/zinc/11/84/94/355118494.db2.gz ZXKDPGWQJXPRIH-UHFFFAOYSA-N 2 0 227.396 1.528 20 0 BDADRP CC[NH+](CC)C[C@H]1CCN(CC(C)(C)[NH3+])C1 ZINC000346987047 355187466 /nfs/dbraw/zinc/18/74/66/355187466.db2.gz PXPBFLYEJROZSN-GFCCVEGCSA-N 2 0 227.396 1.387 20 0 BDADRP CN(CC(C)(C)[NH3+])[C@@H](CCO)c1ccccc1 ZINC000346993968 355192487 /nfs/dbraw/zinc/19/24/87/355192487.db2.gz BKWROEJXDCJBDX-ZDUSSCGKSA-N 2 0 236.359 1.779 20 0 BDADRP c1[nH]nc2c1cccc2C[NH2+]C1CC[NH2+]CC1 ZINC000335280729 355245305 /nfs/dbraw/zinc/24/53/05/355245305.db2.gz XDKNKEKSNQYAQW-UHFFFAOYSA-N 2 0 230.315 1.405 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2C[C@@H](O)C2)CC1(C)C ZINC000623749099 355320347 /nfs/dbraw/zinc/32/03/47/355320347.db2.gz VDNAIYLQWCFVNO-UTUOFQBUSA-N 2 0 226.364 1.220 20 0 BDADRP COC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)C(C)C ZINC000414196823 191458491 /nfs/dbraw/zinc/45/84/91/191458491.db2.gz WDYXFFHACJEEEC-UONOGXRCSA-N 2 0 242.407 1.979 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCCOC1 ZINC000389011787 355409311 /nfs/dbraw/zinc/40/93/11/355409311.db2.gz SPAZBJIGUWYLHL-WUHRBBMRSA-N 2 0 226.364 1.661 20 0 BDADRP CCC(CC)(CO)[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414709778 191552107 /nfs/dbraw/zinc/55/21/07/191552107.db2.gz PJXZTYYFFAACQE-RYUDHWBXSA-N 2 0 228.380 1.515 20 0 BDADRP CC(C)[C@@H]1CCC[C@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000414866047 191607105 /nfs/dbraw/zinc/60/71/05/191607105.db2.gz DSKIDXDCOGSXOB-UONOGXRCSA-N 2 0 239.407 1.306 20 0 BDADRP C[C@H]1CCCC[C@@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000414779757 191567095 /nfs/dbraw/zinc/56/70/95/191567095.db2.gz KFOIJNFQCYEGBY-KBPBESRZSA-N 2 0 239.407 1.450 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@H]1CCc2ccccc2C1 ZINC000414826250 191588118 /nfs/dbraw/zinc/58/81/18/191588118.db2.gz VFQNEKCSPREFSN-FZMZJTMJSA-N 2 0 218.344 1.871 20 0 BDADRP CC[NH+](CC)CCC[NH2+]C[C@@H]1CCCOC1 ZINC000084718491 355486187 /nfs/dbraw/zinc/48/61/87/355486187.db2.gz OVTRQIBYXNRHAZ-ZDUSSCGKSA-N 2 0 228.380 1.735 20 0 BDADRP CC(C)(C)[NH2+]CCN[C@@H](CC[NH3+])C(F)(F)F ZINC000415050636 191653152 /nfs/dbraw/zinc/65/31/52/191653152.db2.gz FWNFNLPWXJWJOW-QMMMGPOBSA-N 2 0 241.301 1.244 20 0 BDADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H]2CCCOCC2)CC1 ZINC000415019928 191654399 /nfs/dbraw/zinc/65/43/99/191654399.db2.gz FNMUWQMOHNJPAE-IHRRRGAJSA-N 2 0 240.391 1.910 20 0 BDADRP CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415051556 191654410 /nfs/dbraw/zinc/65/44/10/191654410.db2.gz ZXJGGPPJUOETSS-IHRRRGAJSA-N 2 0 240.391 1.779 20 0 BDADRP Cc1nc2ccccn2c1C[NH2+][C@@H](C)CCC[NH3+] ZINC000415026164 191656609 /nfs/dbraw/zinc/65/66/09/191656609.db2.gz SRPKISFQTUUQGH-NSHDSACASA-N 2 0 246.358 1.860 20 0 BDADRP CC(C)C[C@@H](C)C[NH2+]CCN1CC[NH2+]CC1 ZINC000414884430 191614871 /nfs/dbraw/zinc/61/48/71/191614871.db2.gz OHDPPNZDAWFSDP-CYBMUJFWSA-N 2 0 227.396 1.163 20 0 BDADRP CCCC[C@H](COC)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415027604 191656706 /nfs/dbraw/zinc/65/67/06/191656706.db2.gz BFYZOBXXCQIUCQ-YNEHKIRRSA-N 2 0 228.380 1.909 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415091386 191676565 /nfs/dbraw/zinc/67/65/65/191676565.db2.gz ZANZZYLVALYNGP-SGMGOOAPSA-N 2 0 242.407 1.761 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415133653 191684044 /nfs/dbraw/zinc/68/40/44/191684044.db2.gz VJKZKSDNOFIHRZ-AVGNSLFASA-N 2 0 227.396 1.277 20 0 BDADRP CC(C)n1ccc(C[C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)n1 ZINC000415045675 191662132 /nfs/dbraw/zinc/66/21/32/191662132.db2.gz WNELWVJHQWHFQP-ZZVYKPCYSA-N 2 0 248.374 1.202 20 0 BDADRP CC(C)(C)[NH2+]CCN[C@H]1CCCC[NH2+]C1 ZINC000415080958 191673461 /nfs/dbraw/zinc/67/34/61/191673461.db2.gz ZJUDBRPVZJPNPO-NSHDSACASA-N 2 0 213.369 1.106 20 0 BDADRP CCC(CC)(CCO)C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000415082444 191673885 /nfs/dbraw/zinc/67/38/85/191673885.db2.gz MAEVHQIDNHOPDC-CYBMUJFWSA-N 2 0 242.407 1.764 20 0 BDADRP C[C@H]1CN(C)C[C@@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000336025594 134056826 /nfs/dbraw/zinc/05/68/26/134056826.db2.gz PHXGAQCNHCPFKU-ABXWRUBCSA-N 2 0 239.407 1.399 20 0 BDADRP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C1(C)CC1 ZINC000166815046 355851857 /nfs/dbraw/zinc/85/18/57/355851857.db2.gz JGPFNQBQRYRMBK-VXGBXAGGSA-N 2 0 226.364 1.221 20 0 BDADRP CC[NH+](CC)CCC[N@H+](C)CC1(C)COC1 ZINC000608563103 355861045 /nfs/dbraw/zinc/86/10/45/355861045.db2.gz NFAFLHFMSONIMD-UHFFFAOYSA-N 2 0 228.380 1.687 20 0 BDADRP C[C@H](CCCO)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000087358387 491086320 /nfs/dbraw/zinc/08/63/20/491086320.db2.gz AIIUITWRNIJYEH-NEPJUHHUSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@H](CCCO)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000087358389 491086321 /nfs/dbraw/zinc/08/63/21/491086321.db2.gz AIIUITWRNIJYEH-VXGBXAGGSA-N 2 0 228.380 1.467 20 0 BDADRP CC(C)[N@@H+](CC[C@H]1CCC[NH+]1C)C[C@@H](C)O ZINC000305679719 192017897 /nfs/dbraw/zinc/01/78/97/192017897.db2.gz NCZZCWDSTCEEKL-CHWSQXEVSA-N 2 0 228.380 1.562 20 0 BDADRP Cc1cc(C)c(C[N@H+](C)CCO)c(C)n1 ZINC000639469472 356255954 /nfs/dbraw/zinc/25/59/54/356255954.db2.gz PAANJSKYJNMOHA-UHFFFAOYSA-N 2 0 208.305 1.431 20 0 BDADRP CC(C)OC(=O)CC[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000420291747 192203606 /nfs/dbraw/zinc/20/36/06/192203606.db2.gz KRCARJFEBDXKTB-LLVKDONJSA-N 2 0 242.363 1.387 20 0 BDADRP C[N@H+](CC[C@H]1CCCCO1)CC(C)(C)C[NH3+] ZINC000420296972 192205857 /nfs/dbraw/zinc/20/58/57/192205857.db2.gz XTFAKQYDLSCWIO-GFCCVEGCSA-N 2 0 228.380 1.862 20 0 BDADRP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(C)n1 ZINC000420300260 192206262 /nfs/dbraw/zinc/20/62/62/192206262.db2.gz CFCJNBKKKVLZAI-ZNMIVQPWSA-N 2 0 245.370 1.868 20 0 BDADRP CCN(C)C(=O)CC[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000420319137 192196097 /nfs/dbraw/zinc/19/60/97/192196097.db2.gz RFDRMLBCQVYXSH-LBPRGKRZSA-N 2 0 241.379 1.058 20 0 BDADRP COC(=O)CC1(C[N@H+](C)C2CC[NH2+]CC2)CC1 ZINC000420272564 192196789 /nfs/dbraw/zinc/19/67/89/192196789.db2.gz MIBYELBBTFXXIP-UHFFFAOYSA-N 2 0 240.347 1.014 20 0 BDADRP CC[NH+](CC)CCN(CC(C)C)C[C@@H](C)[NH3+] ZINC000420321178 192197733 /nfs/dbraw/zinc/19/77/33/192197733.db2.gz QVVPYUZTWHPOLJ-CYBMUJFWSA-N 2 0 229.412 1.633 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCS1 ZINC000422872844 192494906 /nfs/dbraw/zinc/49/49/06/192494906.db2.gz IVIJVLUYEPEJNU-IVZWLZJFSA-N 2 0 200.351 1.351 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCS[C@H](C)CC1 ZINC000379473564 358501536 /nfs/dbraw/zinc/50/15/36/358501536.db2.gz VJEBJPZEQIFPQF-NEPJUHHUSA-N 2 0 246.420 1.126 20 0 BDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420288581 192200673 /nfs/dbraw/zinc/20/06/73/192200673.db2.gz JIERRYFZIFDHPJ-CHWSQXEVSA-N 3 0 227.396 1.291 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000420289382 192200870 /nfs/dbraw/zinc/20/08/70/192200870.db2.gz KHDBFZVVMQEOIE-OLZOCXBDSA-N 2 0 227.396 1.387 20 0 BDADRP C[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)[C@@H]1CN ZINC000420289707 192201126 /nfs/dbraw/zinc/20/11/26/192201126.db2.gz KWGIPFUXGGLORH-HZSPNIEDSA-N 2 0 239.407 1.435 20 0 BDADRP CC[NH+](CC)CCCN1CCC[C@H]1C[NH3+] ZINC000420286864 192201485 /nfs/dbraw/zinc/20/14/85/192201485.db2.gz GVKRSGWABFMFCV-LBPRGKRZSA-N 2 0 213.369 1.141 20 0 BDADRP C[C@H](CCC1CC1)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000346532338 134090760 /nfs/dbraw/zinc/09/07/60/134090760.db2.gz MTYDNWIRXXJRPN-TZMCWYRMSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@@](C[NH3+])(NCc1ccncc1)C1CC1 ZINC000420289974 192201934 /nfs/dbraw/zinc/20/19/34/192201934.db2.gz LAFLMSJDABTKBS-LBPRGKRZSA-N 2 0 205.305 1.299 20 0 BDADRP CC(C)OC(=O)CC[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000420287310 192201954 /nfs/dbraw/zinc/20/19/54/192201954.db2.gz HUMSJJVGDIBTEE-RYUDHWBXSA-N 2 0 242.363 1.387 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000639493749 356316822 /nfs/dbraw/zinc/31/68/22/356316822.db2.gz BMUXWQSXOIQVIH-IHRRRGAJSA-N 2 0 240.391 1.685 20 0 BDADRP CC(C)COCC[NH2+]CC1([NH3+])CCC1 ZINC000420314190 192213411 /nfs/dbraw/zinc/21/34/11/192213411.db2.gz VHLIRVQYIJYCSR-UHFFFAOYSA-N 2 0 200.326 1.130 20 0 BDADRP CC[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000420318309 192214208 /nfs/dbraw/zinc/21/42/08/192214208.db2.gz OKHRZPUJTQEGBO-RWMBFGLXSA-N 2 0 226.364 1.485 20 0 BDADRP CC(C)OCCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420345077 192216732 /nfs/dbraw/zinc/21/67/32/192216732.db2.gz VDOGASMGNOEWCF-OKILXGFUSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@]1(C[NH3+])CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420307693 192208168 /nfs/dbraw/zinc/20/81/68/192208168.db2.gz CBFNVCBNTWJDBU-OLZOCXBDSA-N 3 0 225.380 1.047 20 0 BDADRP CCOC(=O)CCCC[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000420306727 192209281 /nfs/dbraw/zinc/20/92/81/192209281.db2.gz AXVVQFROWWUPAE-CYBMUJFWSA-N 2 0 242.363 1.391 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC[C@H]3CC[NH2+]C3)C[C@H]21 ZINC000420313005 192211681 /nfs/dbraw/zinc/21/16/81/192211681.db2.gz SZIKLNHMGNDQAT-AAVRWANBSA-N 3 0 237.391 1.045 20 0 BDADRP COCC[C@@H]1CCCC[N@H+](C[C@H](C)N)C1 ZINC000420368228 192226173 /nfs/dbraw/zinc/22/61/73/192226173.db2.gz HSUGVELHUIAPBK-RYUDHWBXSA-N 2 0 214.353 1.472 20 0 BDADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420322234 192226983 /nfs/dbraw/zinc/22/69/83/192226983.db2.gz WJJRFSVVLZDJST-STQMWFEESA-N 3 0 225.380 1.189 20 0 BDADRP CC(C)COCC[NH2+][C@](C)(C[NH3+])C(C)C ZINC000420322273 192227420 /nfs/dbraw/zinc/22/74/20/192227420.db2.gz SIFRMTIAPGVUDA-GFCCVEGCSA-N 2 0 216.369 1.622 20 0 BDADRP CC[N@H+](CC[C@H]1CC[NH2+]C1)Cc1cnn(C)c1 ZINC000420322810 192228520 /nfs/dbraw/zinc/22/85/20/192228520.db2.gz SXYTZCSEXFCVAP-GFCCVEGCSA-N 2 0 236.363 1.242 20 0 BDADRP CCOCCCN1CC[NH2+]C[C@@](C)(F)C1 ZINC000420328036 192229830 /nfs/dbraw/zinc/22/98/30/192229830.db2.gz GYAITTSFHDIHPA-LLVKDONJSA-N 2 0 218.316 1.046 20 0 BDADRP C[C@@H]1C[C@H]([N@H+](C)CC[C@H]2CC[NH2+]C2)CCN1C ZINC000420327760 192230507 /nfs/dbraw/zinc/23/05/07/192230507.db2.gz ZBLSQAVYBRERAR-MGPQQGTHSA-N 2 0 239.407 1.401 20 0 BDADRP CCC(C)(C)CC[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420362669 192223279 /nfs/dbraw/zinc/22/32/79/192223279.db2.gz ZMPGBEMQSKLNHS-JTQLQIEISA-N 2 0 202.342 1.064 20 0 BDADRP Cc1cc(C2CC[NH+](CCC[NH3+])CC2)[nH]n1 ZINC000420365014 192223317 /nfs/dbraw/zinc/22/33/17/192223317.db2.gz DKUURKREOIHIOZ-UHFFFAOYSA-N 2 0 222.336 1.246 20 0 BDADRP C[NH2+]CCC[N@H+](C)Cc1cccc(N)c1 ZINC000420383009 192234927 /nfs/dbraw/zinc/23/49/27/192234927.db2.gz AXFZHIDOUIWAJS-UHFFFAOYSA-N 2 0 207.321 1.310 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cncc(F)c1 ZINC000420395564 192237374 /nfs/dbraw/zinc/23/73/74/192237374.db2.gz DNHDBNUSQCZZTP-GHMZBOCLSA-N 2 0 237.322 1.871 20 0 BDADRP C[NH2+]CCC[NH2+][C@H](C)[C@H]1COc2ccccc21 ZINC000420394068 192237459 /nfs/dbraw/zinc/23/74/59/192237459.db2.gz CLQOBIGJNOBRGW-DGCLKSJQSA-N 2 0 234.343 1.750 20 0 BDADRP C([C@@H]1CCOC1)[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420403822 192237966 /nfs/dbraw/zinc/23/79/66/192237966.db2.gz RTPUXROBIJWNCF-MJBXVCDLSA-N 2 0 238.375 1.487 20 0 BDADRP CC[C@@H]1CCC[C@H]1[NH2+]CCOCC[NH3+] ZINC000420412102 192239271 /nfs/dbraw/zinc/23/92/71/192239271.db2.gz SCOUSXJMRAAMGT-GHMZBOCLSA-N 2 0 200.326 1.130 20 0 BDADRP C[C@H]1CC[N@H+](CCOCC(F)F)C[C@H]1C[NH3+] ZINC000420408514 192239448 /nfs/dbraw/zinc/23/94/48/192239448.db2.gz PHWKMMZBPMNWJK-VHSXEESVSA-N 2 0 236.306 1.185 20 0 BDADRP Cc1ccccc1[C@H](C)[NH2+]CCOCC[NH3+] ZINC000420373676 192231847 /nfs/dbraw/zinc/23/18/47/192231847.db2.gz MVHLBIPJGNSRCA-LBPRGKRZSA-N 2 0 222.332 1.621 20 0 BDADRP C[N@@H+](CCc1nccs1)CC[C@H]1CC[NH2+]C1 ZINC000420375008 192232062 /nfs/dbraw/zinc/23/20/62/192232062.db2.gz OORXMTYIKYLVBC-LLVKDONJSA-N 2 0 239.388 1.617 20 0 BDADRP CC(=O)c1ccc2c(c1)CC[N@@H+](CCC[NH3+])CC2 ZINC000420380352 192233359 /nfs/dbraw/zinc/23/33/59/192233359.db2.gz WFZFQJAVXJXPPT-UHFFFAOYSA-N 2 0 246.354 1.639 20 0 BDADRP CC[N@@H+]1CC[C@H](Nc2cc(C)nc(C(C)C)n2)C1 ZINC000389399859 356491582 /nfs/dbraw/zinc/49/15/82/356491582.db2.gz PKAPAUPPPUUVFJ-LBPRGKRZSA-N 2 0 248.374 1.836 20 0 BDADRP C[C@@H]1OCC[C@H]1[NH2+]CCN1CCCC1(C)C ZINC000449781691 202035606 /nfs/dbraw/zinc/03/56/06/202035606.db2.gz JGBXZQXEHJQLKK-NWDGAFQWSA-N 2 0 226.364 1.628 20 0 BDADRP Cc1cc(C)c(C[N@@H+](C)C2(CO)CC2)c(C)n1 ZINC000639644439 356557280 /nfs/dbraw/zinc/55/72/80/356557280.db2.gz YQIWEBGREITCMA-UHFFFAOYSA-N 2 0 234.343 1.964 20 0 BDADRP CO[C@H](C)CC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422906191 192502485 /nfs/dbraw/zinc/50/24/85/192502485.db2.gz UIJBPBOGDABNEZ-UTUOFQBUSA-N 2 0 214.353 1.389 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H](CCO)c1ccccc1 ZINC000422983248 192517225 /nfs/dbraw/zinc/51/72/25/192517225.db2.gz ZCQSSIJMUMKIRC-TZMCWYRMSA-N 2 0 236.359 1.827 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CCOc1cccc(F)c1 ZINC000422942865 192511741 /nfs/dbraw/zinc/51/17/41/192511741.db2.gz KTGOHNLUYSVKLY-LLVKDONJSA-N 2 0 240.322 1.922 20 0 BDADRP CC[NH+](CC)CCCN1CC[NH+](CC)CC1 ZINC000041248850 358507225 /nfs/dbraw/zinc/50/72/25/358507225.db2.gz FMVJEMQWPGMBJY-UHFFFAOYSA-N 2 0 227.396 1.356 20 0 BDADRP CCN(CC)C(=O)CCC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422954868 192525484 /nfs/dbraw/zinc/52/54/84/192525484.db2.gz IIIQXQVPTLQZHI-NEPJUHHUSA-N 2 0 243.395 1.350 20 0 BDADRP COC[C@H](C)C[NH2+]CCC[NH+]1CCCC1 ZINC000045695227 538466910 /nfs/dbraw/zinc/46/69/10/538466910.db2.gz NRRIQYISPFZEFJ-GFCCVEGCSA-N 2 0 214.353 1.344 20 0 BDADRP CC[C@H](C[C@@H](C)CO)[NH2+][C@@H](C)CCCC[NH3+] ZINC000423004958 192535153 /nfs/dbraw/zinc/53/51/53/192535153.db2.gz LDNAJBJPEPEZQW-FRRDWIJNSA-N 2 0 230.396 1.891 20 0 BDADRP CC[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)OC ZINC000381579240 538468100 /nfs/dbraw/zinc/46/81/00/538468100.db2.gz ZPOVJWRYXSUHNA-DGCLKSJQSA-N 2 0 228.380 1.731 20 0 BDADRP COCC[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000167601960 134152773 /nfs/dbraw/zinc/15/27/73/134152773.db2.gz XCDVJGXIZSTOCN-WOPDTQHZSA-N 2 0 214.353 1.328 20 0 BDADRP CCC[C@H](O)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000450339545 202135238 /nfs/dbraw/zinc/13/52/38/202135238.db2.gz RDXLCBJKPYMCLB-AWEZNQCLSA-N 2 0 242.407 1.952 20 0 BDADRP Cc1nocc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639754821 356658538 /nfs/dbraw/zinc/65/85/38/356658538.db2.gz BANLKLQXIMLBJS-UHFFFAOYSA-N 2 0 249.358 1.901 20 0 BDADRP CC[C@H](C[N@@H+]1CCC2(C1)CC[NH+](C)CC2)OC ZINC000639755884 356659969 /nfs/dbraw/zinc/65/99/69/356659969.db2.gz QFTQPJKCMMHDOZ-CYBMUJFWSA-N 2 0 240.391 1.829 20 0 BDADRP COCC(C)(C)C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000423123829 192577055 /nfs/dbraw/zinc/57/70/55/192577055.db2.gz FIGBBCICXFGZPD-NEPJUHHUSA-N 2 0 228.380 1.637 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000423130385 192577940 /nfs/dbraw/zinc/57/79/40/192577940.db2.gz SAWFPUQYBWBCAL-RNJOBUHISA-N 2 0 226.364 1.255 20 0 BDADRP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1cc[nH]c(=O)c1 ZINC000423129538 192578953 /nfs/dbraw/zinc/57/89/53/192578953.db2.gz FFKPFOJWLQKTSU-XSRFYTQQSA-N 2 0 249.358 1.955 20 0 BDADRP [NH3+]Cc1ccc(-c2cnn3c2C[NH2+]CC3)s1 ZINC000675075557 538509539 /nfs/dbraw/zinc/50/95/39/538509539.db2.gz AREOULXNPCLBJI-UHFFFAOYSA-N 2 0 234.328 1.174 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCC(C)(C)O ZINC000168021478 134155300 /nfs/dbraw/zinc/15/53/00/134155300.db2.gz ZLOVZKQVJMYLKU-MNOVXSKESA-N 2 0 214.353 1.077 20 0 BDADRP COC[C@@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623335385 356717465 /nfs/dbraw/zinc/71/74/65/356717465.db2.gz KXDIYPHACVHTLS-MNOVXSKESA-N 2 0 214.353 1.484 20 0 BDADRP CC[C@@H](CO)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623336374 356723991 /nfs/dbraw/zinc/72/39/91/356723991.db2.gz LPHPXTSIMUZOKI-WDEREUQCSA-N 2 0 214.353 1.220 20 0 BDADRP CC[C@@H](CO)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623336373 356724396 /nfs/dbraw/zinc/72/43/96/356724396.db2.gz LPHPXTSIMUZOKI-QWRGUYRKSA-N 2 0 214.353 1.220 20 0 BDADRP CC[C@H](CO)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623336372 356724470 /nfs/dbraw/zinc/72/44/70/356724470.db2.gz LPHPXTSIMUZOKI-MNOVXSKESA-N 2 0 214.353 1.220 20 0 BDADRP C[NH+]1CCC(N[C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623342058 356742900 /nfs/dbraw/zinc/74/29/00/356742900.db2.gz DGFZZEYNDZXNIW-ZDUSSCGKSA-N 2 0 239.407 1.543 20 0 BDADRP CCC[C@H](O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000450434632 202167910 /nfs/dbraw/zinc/16/79/10/202167910.db2.gz DLPWFLNNLZGHNC-KGLIPLIRSA-N 2 0 242.407 1.954 20 0 BDADRP CC(C)(C)[NH2+]CCNC(=O)C1(C[NH3+])CCCC1 ZINC000578190303 366374827 /nfs/dbraw/zinc/37/48/27/366374827.db2.gz BHDDKPBXGXXJBN-UHFFFAOYSA-N 2 0 241.379 1.010 20 0 BDADRP CC[NH+]1CCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000355453556 356760233 /nfs/dbraw/zinc/76/02/33/356760233.db2.gz HEEGYTPGHPFZOX-CQSZACIVSA-N 2 0 239.407 1.498 20 0 BDADRP CCC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000450474832 202177996 /nfs/dbraw/zinc/17/79/96/202177996.db2.gz SPJGXERBZXFFAG-STQMWFEESA-N 2 0 228.380 1.421 20 0 BDADRP CC[C@H](O)[C@H](CC)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423154200 192594838 /nfs/dbraw/zinc/59/48/38/192594838.db2.gz IUGULCUJNNHGSM-TYUFSLCMSA-N 2 0 228.380 1.643 20 0 BDADRP CC1(C)CC[C@@H](C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)O1 ZINC000166248184 538710469 /nfs/dbraw/zinc/71/04/69/538710469.db2.gz OXSLMKLYCHJKKN-TUAOUCFPSA-N 2 0 224.348 1.095 20 0 BDADRP C[N@@H+]1CCC[C@H]1CN[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623377273 356896693 /nfs/dbraw/zinc/89/66/93/356896693.db2.gz SPOMYXMGHMBXEO-OLZOCXBDSA-N 2 0 239.407 1.543 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000423199340 192623735 /nfs/dbraw/zinc/62/37/35/192623735.db2.gz JTXZHFVLBPLSJY-MELADBBJSA-N 2 0 240.391 1.781 20 0 BDADRP CCCCOCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000119572110 357028719 /nfs/dbraw/zinc/02/87/19/357028719.db2.gz BFMIDVPFBFLHAT-OLZOCXBDSA-N 2 0 228.380 1.875 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)[C@@H]1C ZINC000389614523 357003213 /nfs/dbraw/zinc/00/32/13/357003213.db2.gz FYIKYOYKFABFGN-LPWJVIDDSA-N 2 0 210.365 1.962 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CC[C@H](C)O)[C@H](C)C1 ZINC000389997456 357081309 /nfs/dbraw/zinc/08/13/09/357081309.db2.gz QZPAFLRMJJOENJ-GRYCIOLGSA-N 2 0 214.353 1.077 20 0 BDADRP C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1ccc2n[nH]cc2c1 ZINC000582414409 357140096 /nfs/dbraw/zinc/14/00/96/357140096.db2.gz IMCXXZCRKFFOFC-NXEZZACHSA-N 2 0 244.342 1.821 20 0 BDADRP CCSCC[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000130047349 357164193 /nfs/dbraw/zinc/16/41/93/357164193.db2.gz SLELGMBKDDXUQA-MNOVXSKESA-N 2 0 216.394 1.799 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423254470 192654268 /nfs/dbraw/zinc/65/42/68/192654268.db2.gz YDEJNGAPSJMDOV-IHRRRGAJSA-N 2 0 240.391 1.781 20 0 BDADRP CC[C@@H](O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123220846 357217790 /nfs/dbraw/zinc/21/77/90/357217790.db2.gz KZVCPWFOXOTMTL-CQSZACIVSA-N 2 0 242.407 1.811 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423271200 192665524 /nfs/dbraw/zinc/66/55/24/192665524.db2.gz IRVFAHIPWQMOKB-OLZOCXBDSA-N 3 0 227.396 1.483 20 0 BDADRP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000393690307 357293408 /nfs/dbraw/zinc/29/34/08/357293408.db2.gz DZZCQHHAOHEQOC-SDDRHHMPSA-N 2 0 228.380 1.643 20 0 BDADRP CC[C@H]([NH2+]C[C@H]([NH3+])C(C)C)[C@@H]1CCOC1 ZINC000423284792 192677144 /nfs/dbraw/zinc/67/71/44/192677144.db2.gz YLFOZKPPSDNNPE-WOPDTQHZSA-N 2 0 214.353 1.374 20 0 BDADRP COC[C@@H](C)C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000628425900 357254429 /nfs/dbraw/zinc/25/44/29/357254429.db2.gz YUJPEQMTQKBTEY-QWHCGFSZSA-N 2 0 228.380 1.590 20 0 BDADRP COC[C@@H](C)C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000628425901 357254459 /nfs/dbraw/zinc/25/44/59/357254459.db2.gz YUJPEQMTQKBTEY-STQMWFEESA-N 2 0 228.380 1.590 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc2cnn(C)c2c1 ZINC000582481404 357316758 /nfs/dbraw/zinc/31/67/58/357316758.db2.gz AOBCXKCXBRJZPX-MNOVXSKESA-N 2 0 246.358 1.789 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc2cnn(C)c2c1 ZINC000582481406 357316899 /nfs/dbraw/zinc/31/68/99/357316899.db2.gz AOBCXKCXBRJZPX-WDEREUQCSA-N 2 0 246.358 1.789 20 0 BDADRP CCn1cc([C@@H](C)[NH2+]C[C@H](C)C[NH3+])cn1 ZINC000423299396 192688431 /nfs/dbraw/zinc/68/84/31/192688431.db2.gz QBCSTFPPKTVBLS-NXEZZACHSA-N 2 0 210.325 1.148 20 0 BDADRP Cc1ccc(CC[NH2+][C@H](C)C[C@@H](C)[NH3+])cn1 ZINC000582839673 357412880 /nfs/dbraw/zinc/41/28/80/357412880.db2.gz HCAUKXYTJRQYKX-ZYHUDNBSSA-N 2 0 221.348 1.648 20 0 BDADRP COC[C@@H](C)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000582840257 357413091 /nfs/dbraw/zinc/41/30/91/357413091.db2.gz BIEKNGNQHGVWTQ-HBNTYKKESA-N 2 0 200.326 1.128 20 0 BDADRP [NH3+]C1(c2noc(C[C@H]3CCC[NH2+]3)n2)CCCC1 ZINC000583024386 357452524 /nfs/dbraw/zinc/45/25/24/357452524.db2.gz ZCNNBIKQZHVQEI-SECBINFHSA-N 2 0 236.319 1.092 20 0 BDADRP [NH3+]CCCN(Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000583085052 357475081 /nfs/dbraw/zinc/47/50/81/357475081.db2.gz VQZXGFXYJBIGKW-OAHLLOKOSA-N 2 0 247.386 1.589 20 0 BDADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1cccs1 ZINC000231786952 357628622 /nfs/dbraw/zinc/62/86/22/357628622.db2.gz NPQOONQYKHMVRF-NSHDSACASA-N 2 0 242.388 1.977 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCc2cscn2)CC[N@@H+]1C ZINC000158882098 538869722 /nfs/dbraw/zinc/86/97/22/538869722.db2.gz CUMQIWGKGCUHRH-GHMZBOCLSA-N 2 0 239.388 1.758 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CC2(O)CCC2)CC1(C)C ZINC000623412548 357595582 /nfs/dbraw/zinc/59/55/82/357595582.db2.gz PNTJGEZCYPQJTA-NSHDSACASA-N 2 0 226.364 1.364 20 0 BDADRP CC(C)(C)[C@H](CCO)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000231073461 357597537 /nfs/dbraw/zinc/59/75/37/357597537.db2.gz BYXLUQJZZAWCBR-NEPJUHHUSA-N 2 0 228.380 1.515 20 0 BDADRP Cc1ccc(C[NH2+]CCOCC[NH+](C)C)nc1 ZINC000231676181 357619510 /nfs/dbraw/zinc/61/95/10/357619510.db2.gz LJUUEPNBLYWOJX-UHFFFAOYSA-N 2 0 237.347 1.058 20 0 BDADRP CCCC1(C[NH2+][C@@H](CCC[NH3+])COC)CC1 ZINC000232961824 357694780 /nfs/dbraw/zinc/69/47/80/357694780.db2.gz MNKSEGIARCGULJ-LBPRGKRZSA-N 2 0 228.380 1.910 20 0 BDADRP C[C@H]1CC(O)C[C@H](C)[NH+]1CCCn1ccnc1 ZINC000191272719 357760823 /nfs/dbraw/zinc/76/08/23/357760823.db2.gz XWKNGDVZKRSDHL-RYUDHWBXSA-N 2 0 237.347 1.507 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CCc1cccs1 ZINC000234721553 357820479 /nfs/dbraw/zinc/82/04/79/357820479.db2.gz ZAJYMOYBZRALJA-LLVKDONJSA-N 2 0 242.388 1.634 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)O1 ZINC000398193715 357859995 /nfs/dbraw/zinc/85/99/95/357859995.db2.gz YHQBIUNIYKIXBE-WISYIIOYSA-N 2 0 212.337 1.413 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCCC1(C)C ZINC000234700515 357826345 /nfs/dbraw/zinc/82/63/45/357826345.db2.gz QJAHIPPJKHTVBW-RYUDHWBXSA-N 2 0 228.380 1.909 20 0 BDADRP Cc1c[nH+]ccc1NC[C@H](C)C[NH+]1CCOCC1 ZINC000192613549 357840744 /nfs/dbraw/zinc/84/07/44/357840744.db2.gz CWHDHZYVSJDWQQ-LBPRGKRZSA-N 2 0 249.358 1.770 20 0 BDADRP C[NH2+]CCSCC[NH+]1CCCCC1 ZINC000382662138 357925254 /nfs/dbraw/zinc/92/52/54/357925254.db2.gz UEYAPSZSQZXBAH-UHFFFAOYSA-N 2 0 202.367 1.425 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@@]2(C)CCOC2)CC1(C)C ZINC000623417755 357958335 /nfs/dbraw/zinc/95/83/35/357958335.db2.gz NLBPRCIGEXQOTI-TZMCWYRMSA-N 2 0 240.391 1.875 20 0 BDADRP OCC1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000219070674 357984527 /nfs/dbraw/zinc/98/45/27/357984527.db2.gz CADIFQBGYQDKCS-UHFFFAOYSA-N 2 0 226.364 1.080 20 0 BDADRP OCC1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000219070783 357984748 /nfs/dbraw/zinc/98/47/48/357984748.db2.gz GATAXEJBCPEXIY-LBPRGKRZSA-N 2 0 226.364 1.080 20 0 BDADRP Cc1ccc(CC[NH2+][C@@H](C)C2C[NH2+]C2)o1 ZINC000584523935 358039109 /nfs/dbraw/zinc/03/91/09/358039109.db2.gz NBWIBIQKVHCLRF-JTQLQIEISA-N 2 0 208.305 1.328 20 0 BDADRP COCC1(CC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000584590242 358095889 /nfs/dbraw/zinc/09/58/89/358095889.db2.gz RLPMHPXBDXXGGZ-QWHCGFSZSA-N 2 0 240.391 1.733 20 0 BDADRP CCn1nccc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000584719969 358161394 /nfs/dbraw/zinc/16/13/94/358161394.db2.gz OHZDRPXKROVRND-UWVGGRQHSA-N 2 0 210.325 1.118 20 0 BDADRP CCC[N@H+](CC)C[C@@H](C)N[C@H]1C[NH+](C)C[C@@H]1C ZINC000584867930 358207496 /nfs/dbraw/zinc/20/74/96/358207496.db2.gz ORMHYOQULKTYON-MJBXVCDLSA-N 2 0 241.423 1.647 20 0 BDADRP CCC[N@H+](CC)C[C@@H](C)N[C@@H]1C[NH+](C)C[C@@H]1C ZINC000584867891 358208196 /nfs/dbraw/zinc/20/81/96/358208196.db2.gz ORMHYOQULKTYON-BFHYXJOUSA-N 2 0 241.423 1.647 20 0 BDADRP CCC([NH3+])(CC)CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000584851189 358209284 /nfs/dbraw/zinc/20/92/84/358209284.db2.gz VWYOKCZQTACSCF-QWRGUYRKSA-N 3 0 213.369 1.363 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000222897928 358212941 /nfs/dbraw/zinc/21/29/41/358212941.db2.gz DPDQJOSPGCBIAG-UONOGXRCSA-N 2 0 239.407 1.530 20 0 BDADRP C[C@@]1(CN2CC[C@@H]([NH+]3CCCC3)C2)CC[NH2+]C1 ZINC000222899347 358213189 /nfs/dbraw/zinc/21/31/89/358213189.db2.gz ZFYSUVJOGOHCAH-ZIAGYGMSSA-N 2 0 237.391 1.156 20 0 BDADRP COCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000223025735 358213891 /nfs/dbraw/zinc/21/38/91/358213891.db2.gz FMQYTJARATZKAY-HBNTYKKESA-N 2 0 200.326 1.271 20 0 BDADRP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)[C@H](C)CO ZINC000450738117 202252070 /nfs/dbraw/zinc/25/20/70/202252070.db2.gz LYBLVGGSFFORLA-CHWSQXEVSA-N 2 0 228.380 1.469 20 0 BDADRP Cc1cnc(CN2CC[C@H]([NH3+])C[C@@H]2C)o1 ZINC000227256755 358352639 /nfs/dbraw/zinc/35/26/39/358352639.db2.gz XRHDLOKTRCZPRX-WPRPVWTQSA-N 2 0 209.293 1.295 20 0 BDADRP C[C@H](O)CCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000227570032 358359590 /nfs/dbraw/zinc/35/95/90/358359590.db2.gz CHNCINJCUVGBMF-AXFHLTTASA-N 2 0 200.326 1.007 20 0 BDADRP COCC[C@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000045044552 358400374 /nfs/dbraw/zinc/40/03/74/358400374.db2.gz HKDKBFXDGHKVAP-WDEREUQCSA-N 2 0 200.326 1.082 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H](C)CCOC)CC1 ZINC000045038828 358400667 /nfs/dbraw/zinc/40/06/67/358400667.db2.gz ZSKFRFCLBXTPKZ-GFCCVEGCSA-N 2 0 228.380 1.733 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H]2C[C@@H](CO)C2)CC1 ZINC000631669739 358447852 /nfs/dbraw/zinc/44/78/52/358447852.db2.gz RFBPJBRQCBISSN-BJHJDKERSA-N 2 0 226.364 1.221 20 0 BDADRP COC(=O)CCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000042394684 358522695 /nfs/dbraw/zinc/52/26/95/358522695.db2.gz UFVXFPXQCBBECP-UHFFFAOYSA-N 2 0 242.363 1.213 20 0 BDADRP CC(C)(C)[C@H](CCO)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000231073003 358414289 /nfs/dbraw/zinc/41/42/89/358414289.db2.gz ZLYQDKGDMLIYBG-WOPDTQHZSA-N 2 0 228.380 1.643 20 0 BDADRP CC[C@@H](C)[C@H](C)[NH2+]CCOCC[NH+](C)C ZINC000219313123 134281425 /nfs/dbraw/zinc/28/14/25/134281425.db2.gz CFHIWTXPNYNICR-NEPJUHHUSA-N 2 0 216.369 1.589 20 0 BDADRP C[C@H]1CN(CC=C(Cl)Cl)CC[C@@H]1[NH3+] ZINC000403313193 358567291 /nfs/dbraw/zinc/56/72/91/358567291.db2.gz ATJUCKHAVOHHTG-YUMQZZPRSA-N 2 0 223.147 1.975 20 0 BDADRP COCCOCC[N@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000175716411 134286782 /nfs/dbraw/zinc/28/67/82/134286782.db2.gz SPLNXKPOOZKIJG-STQMWFEESA-N 2 0 244.379 1.064 20 0 BDADRP C[C@H](CN[C@H]1CC[N@H+](C)C[C@@H]1C)[NH+](C)C1CC1 ZINC000130944177 358654437 /nfs/dbraw/zinc/65/44/37/358654437.db2.gz ZGMDOTDAWXQROL-SCRDCRAPSA-N 2 0 239.407 1.399 20 0 BDADRP C[C@H](C[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1)N(C)C ZINC000133294387 358749858 /nfs/dbraw/zinc/74/98/58/358749858.db2.gz NAJIRSLXDSJTAR-IJLUTSLNSA-N 2 0 225.380 1.151 20 0 BDADRP [NH3+][C@H](C(=O)NC1CCC([NH3+])CC1)c1ccccc1 ZINC000051694818 358757893 /nfs/dbraw/zinc/75/78/93/358757893.db2.gz FHLJINQAQXBVRF-BPCQOVAHSA-N 2 0 247.342 1.073 20 0 BDADRP COc1cc(C[N@H+](C)CCC[NH3+])cc(OC)c1 ZINC000133715275 358766638 /nfs/dbraw/zinc/76/66/38/358766638.db2.gz FXNXYEBBMLATCM-UHFFFAOYSA-N 2 0 238.331 1.484 20 0 BDADRP OC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000132258601 358714014 /nfs/dbraw/zinc/71/40/14/358714014.db2.gz MSQQIOHRKMWSQL-CABCVRRESA-N 2 0 248.370 1.179 20 0 BDADRP CCCC[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000050888400 358738514 /nfs/dbraw/zinc/73/85/14/358738514.db2.gz UEGQJLQBEKHZJM-QWHCGFSZSA-N 2 0 228.380 1.611 20 0 BDADRP C[C@H]1OCC[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000133959521 358774612 /nfs/dbraw/zinc/77/46/12/358774612.db2.gz PTUHJZRPYXOAMY-CHWSQXEVSA-N 2 0 226.364 1.629 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCO[C@H]2C)CC1 ZINC000134078836 358778908 /nfs/dbraw/zinc/77/89/08/358778908.db2.gz GYDLQLBTWVOPBE-WCQYABFASA-N 2 0 226.364 1.626 20 0 BDADRP COC1(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)CCC1 ZINC000134714525 358803208 /nfs/dbraw/zinc/80/32/08/358803208.db2.gz ISVOZFUZQSFADW-RYUDHWBXSA-N 2 0 226.364 1.485 20 0 BDADRP C[N@H+](CCO)Cc1cc(-n2ccnc2)cs1 ZINC000134871107 358809025 /nfs/dbraw/zinc/80/90/25/358809025.db2.gz CUHMGLUCQUQNAC-UHFFFAOYSA-N 2 0 237.328 1.358 20 0 BDADRP CC[NH+]1CCC(NCC[N@H+](C)C(C)C)CC1 ZINC000054110735 358852915 /nfs/dbraw/zinc/85/29/15/358852915.db2.gz INUYHQNWDYXHQU-UHFFFAOYSA-N 2 0 227.396 1.401 20 0 BDADRP CCCCOCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000086403463 358967514 /nfs/dbraw/zinc/96/75/14/358967514.db2.gz CZZPYHAMGQHVQE-NWDGAFQWSA-N 2 0 214.353 1.663 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCOC2)C1 ZINC000086403371 358967750 /nfs/dbraw/zinc/96/77/50/358967750.db2.gz FXCDOONSAHOQKH-QJPTWQEYSA-N 2 0 212.337 1.273 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)CCO1 ZINC000069857076 359034857 /nfs/dbraw/zinc/03/48/57/359034857.db2.gz HVZPHMNXUALGHQ-VXGBXAGGSA-N 2 0 228.380 1.731 20 0 BDADRP CC[NH+](CC)CCCN[C@H](C)c1nccn1C ZINC000070443411 359053274 /nfs/dbraw/zinc/05/32/74/359053274.db2.gz ZLTIYKVRPZQTQP-GFCCVEGCSA-N 2 0 238.379 1.803 20 0 BDADRP CCOCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835619 359225493 /nfs/dbraw/zinc/22/54/93/359225493.db2.gz KQUXUZNNYKKWQT-CQSZACIVSA-N 2 0 240.391 1.831 20 0 BDADRP COCCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000247932248 359249852 /nfs/dbraw/zinc/24/98/52/359249852.db2.gz CDLYIXOXIZCYQS-CHWSQXEVSA-N 2 0 226.364 1.439 20 0 BDADRP COC(=O)[C@H](C)C[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000248030637 359251900 /nfs/dbraw/zinc/25/19/00/359251900.db2.gz KEFYJNRRFMVCLE-VXGBXAGGSA-N 2 0 242.363 1.212 20 0 BDADRP CC1(C)CCC[NH2+][C@@H]1CN[C@@H]1CCC[C@@H]1[NH3+] ZINC000423376517 192754320 /nfs/dbraw/zinc/75/43/20/192754320.db2.gz DTMKQEFNNYXEHD-QJPTWQEYSA-N 2 0 225.380 1.234 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1N[C@@H]1C[NH2+]CCC1(F)F ZINC000423480467 192773861 /nfs/dbraw/zinc/77/38/61/192773861.db2.gz NHYPKXFKSOWPIP-HBNTYKKESA-N 2 0 247.333 1.091 20 0 BDADRP CCC[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)C1CCC1 ZINC000423492198 192793830 /nfs/dbraw/zinc/79/38/30/192793830.db2.gz MBCYADYBKQODTP-KGLIPLIRSA-N 2 0 240.391 1.923 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423466476 192781368 /nfs/dbraw/zinc/78/13/68/192781368.db2.gz AQFAYUIYCSRLSW-IJLUTSLNSA-N 2 0 214.353 1.532 20 0 BDADRP CC(C)[C@H](C(=O)Nc1ccc(C[NH3+])cc1)[C@@H](C)[NH3+] ZINC000423539019 192807738 /nfs/dbraw/zinc/80/77/38/192807738.db2.gz HOHZMXQEBMLQOW-MFKMUULPSA-N 2 0 249.358 1.703 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)[C@H]1CCCO1 ZINC000423499645 192795000 /nfs/dbraw/zinc/79/50/00/192795000.db2.gz HWAUGPCUJLLTIW-IRCOFANPSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000574988332 359524344 /nfs/dbraw/zinc/52/43/44/359524344.db2.gz XXQWXZOKFHNGPZ-KXUCPTDWSA-N 2 0 235.331 1.172 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)CC[NH2+]1 ZINC000379544415 359540710 /nfs/dbraw/zinc/54/07/10/359540710.db2.gz WMTDPAACGZENPX-LPWJVIDDSA-N 2 0 222.376 1.962 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H](C[NH3+])C1CC1 ZINC000578422701 366563314 /nfs/dbraw/zinc/56/33/14/366563314.db2.gz SWCMNPMOBCAASY-XBFCOCLRSA-N 2 0 239.407 1.624 20 0 BDADRP CCC(O)(CC)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000087014447 359893615 /nfs/dbraw/zinc/89/36/15/359893615.db2.gz WPIKJIZKDZGHRN-RWMBFGLXSA-N 2 0 242.407 1.856 20 0 BDADRP CC(C)C[N@H+](C)CCCc1cncn1C ZINC000578545226 366596163 /nfs/dbraw/zinc/59/61/63/366596163.db2.gz JOBHCEVRPRFADX-UHFFFAOYSA-N 2 0 209.337 1.941 20 0 BDADRP COC[C@H](C)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000578726409 366632352 /nfs/dbraw/zinc/63/23/52/366632352.db2.gz KJHLZXXHRMRELD-WOPDTQHZSA-N 2 0 214.353 1.247 20 0 BDADRP CC[NH2+]CCC[NH2+][C@@H](CC)[C@@H]1CCOC1 ZINC000578878304 366664311 /nfs/dbraw/zinc/66/43/11/366664311.db2.gz MVPPFHXYENNXDS-NEPJUHHUSA-N 2 0 214.353 1.391 20 0 BDADRP [NH3+]CC1(CC(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000578879872 366666153 /nfs/dbraw/zinc/66/61/53/366666153.db2.gz QECRAXXCZFVVFE-UHFFFAOYSA-N 2 0 245.326 1.357 20 0 BDADRP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cn1 ZINC000089147920 359994033 /nfs/dbraw/zinc/99/40/33/359994033.db2.gz YHXJYBSFMYWIFK-VXGBXAGGSA-N 2 0 235.331 1.307 20 0 BDADRP OC1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000090799960 360088854 /nfs/dbraw/zinc/08/88/54/360088854.db2.gz YKQGSUPOBNAGAZ-DKNRTOFZSA-N 2 0 238.375 1.506 20 0 BDADRP Cc1c[nH+]ccc1NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091673079 360123383 /nfs/dbraw/zinc/12/33/83/360123383.db2.gz CBUZJFZLILZCRT-CHWSQXEVSA-N 2 0 247.342 1.665 20 0 BDADRP Cc1c[nH+]ccc1NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091673082 360123461 /nfs/dbraw/zinc/12/34/61/360123461.db2.gz CBUZJFZLILZCRT-OLZOCXBDSA-N 2 0 247.342 1.665 20 0 BDADRP CC[C@H](C)C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000093055852 360213587 /nfs/dbraw/zinc/21/35/87/360213587.db2.gz ACRQDLIKISWPEC-ZDUSSCGKSA-N 2 0 241.423 1.648 20 0 BDADRP C[N@@H+](CC1=CCCOC1)CC1CC[NH+](C)CC1 ZINC000093089228 360217026 /nfs/dbraw/zinc/21/70/26/360217026.db2.gz DXRUNUYKCRLONG-UHFFFAOYSA-N 2 0 238.375 1.607 20 0 BDADRP CCOCCN(C)CC[C@H]1CCC[N@@H+]1C ZINC000093316825 360229542 /nfs/dbraw/zinc/22/95/42/360229542.db2.gz XPPDSSUCFZIYQI-GFCCVEGCSA-N 2 0 214.353 1.439 20 0 BDADRP CN1CCN(C)[C@H](C[NH2+][C@@H]2CCCC2(C)C)C1 ZINC000094308966 360303227 /nfs/dbraw/zinc/30/32/27/360303227.db2.gz XUXHDQDLDSHLMH-CHWSQXEVSA-N 2 0 239.407 1.401 20 0 BDADRP CCCCNC(=O)[C@H](C)N(C)CC(C)(C)C[NH3+] ZINC000093874363 360286386 /nfs/dbraw/zinc/28/63/86/360286386.db2.gz HJGSCTNHHFSJDK-NSHDSACASA-N 2 0 243.395 1.208 20 0 BDADRP C[NH+]1CCC(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000093977893 360292317 /nfs/dbraw/zinc/29/23/17/360292317.db2.gz RUJRPWLDIOLMRT-UONOGXRCSA-N 2 0 237.391 1.297 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@]1(C)CCCO1 ZINC000094797368 360318138 /nfs/dbraw/zinc/31/81/38/360318138.db2.gz UADRXLOMCHJAKD-SYQHCUMBSA-N 2 0 240.391 1.874 20 0 BDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)CCC[NH3+])C[C@@H]1C ZINC000430799142 192892294 /nfs/dbraw/zinc/89/22/94/192892294.db2.gz APCDWZGBANJMME-RYUDHWBXSA-N 2 0 241.379 1.057 20 0 BDADRP CC(C)CC[C@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629388877 361035214 /nfs/dbraw/zinc/03/52/14/361035214.db2.gz XIKRIXHLLPMCKA-LBPRGKRZSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@@H]1CC([NH2+]CC2([NH3+])CCOCC2)C[C@@H](C)C1 ZINC000629389215 361035822 /nfs/dbraw/zinc/03/58/22/361035822.db2.gz ZNZARBMTQULXNO-RYUDHWBXSA-N 2 0 240.391 1.909 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000629390161 361038003 /nfs/dbraw/zinc/03/80/03/361038003.db2.gz LNTVBCYRECXNPB-RQJABVFESA-N 2 0 240.391 1.920 20 0 BDADRP CCC[C@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629387067 361039221 /nfs/dbraw/zinc/03/92/21/361039221.db2.gz DGKQHLHVSAJAFA-JTQLQIEISA-N 2 0 200.326 1.273 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000629388334 361040016 /nfs/dbraw/zinc/04/00/16/361040016.db2.gz MWGLVLGJINWPJN-RFQIPJPRSA-N 2 0 237.391 1.343 20 0 BDADRP CCC[C@H](CC)[NH2+]CCOCC[NH2+]C ZINC000629392701 361042188 /nfs/dbraw/zinc/04/21/88/361042188.db2.gz SDRHQWQPJLYWFJ-NSHDSACASA-N 2 0 202.342 1.391 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000629391781 361045860 /nfs/dbraw/zinc/04/58/60/361045860.db2.gz DIVFBCBUCVEFRR-GFCCVEGCSA-N 2 0 228.380 1.781 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1NC1CC[NH+](C(C)C)CC1 ZINC000629391006 361045941 /nfs/dbraw/zinc/04/59/41/361045941.db2.gz RHGBZUJDAMXEMP-UONOGXRCSA-N 2 0 239.407 1.589 20 0 BDADRP Cc1ccc(F)c(C[NH2+]CCOCCC[NH3+])c1 ZINC000629399116 361049467 /nfs/dbraw/zinc/04/94/67/361049467.db2.gz LVXFHRKPKBFTNQ-UHFFFAOYSA-N 2 0 240.322 1.589 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CCOCCC[NH3+])[C@H](C)C1 ZINC000629399577 361050691 /nfs/dbraw/zinc/05/06/91/361050691.db2.gz VDQBOFCLLMRNAX-UPJWGTAASA-N 2 0 228.380 1.766 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H]1CCC[C@@H]1C(C)C ZINC000629404474 361051042 /nfs/dbraw/zinc/05/10/42/361051042.db2.gz OFBZRKSYXQVIFJ-OLZOCXBDSA-N 2 0 228.380 1.637 20 0 BDADRP C[C@H](CC1CCC1)[NH2+]CCOCCC[NH3+] ZINC000629400396 361051711 /nfs/dbraw/zinc/05/17/11/361051711.db2.gz WDJFZXWQBDZHHE-LLVKDONJSA-N 2 0 214.353 1.520 20 0 BDADRP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629518659 361118447 /nfs/dbraw/zinc/11/84/47/361118447.db2.gz AOAJPGMKHNBFGF-NEPJUHHUSA-N 2 0 240.391 1.909 20 0 BDADRP CCO[C@@H](C[NH+]1CCC(C[NH3+])CC1)C1CC1 ZINC000629508729 361102325 /nfs/dbraw/zinc/10/23/25/361102325.db2.gz AFARBCKPLCOREM-ZDUSSCGKSA-N 2 0 226.364 1.472 20 0 BDADRP CCO[C@@H](C[N@@H+]1CC[C@H](C[NH2+]C)C1)C1CC1 ZINC000629509981 361104767 /nfs/dbraw/zinc/10/47/67/361104767.db2.gz DKTQBPIFSMCRTN-YPMHNXCESA-N 2 0 226.364 1.343 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CC[C@H]1CCCOC1 ZINC000629510937 361110213 /nfs/dbraw/zinc/11/02/13/361110213.db2.gz YCDNRPUZTNCHLK-QWHCGFSZSA-N 2 0 228.380 1.910 20 0 BDADRP CCO[C@@H](C[NH2+][C@@](C)(C[NH3+])C1CC1)C1CC1 ZINC000629514468 361112620 /nfs/dbraw/zinc/11/26/20/361112620.db2.gz MCQCTAIOUNLFHH-STQMWFEESA-N 2 0 226.364 1.519 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000629515154 361112891 /nfs/dbraw/zinc/11/28/91/361112891.db2.gz ZFLWECABEGSULO-XUJVJEKNSA-N 2 0 248.370 1.843 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000629515155 361113167 /nfs/dbraw/zinc/11/31/67/361113167.db2.gz ZFLWECABEGSULO-ZOWXZIJZSA-N 2 0 248.370 1.843 20 0 BDADRP CCO[C@H](C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C)C1CC1 ZINC000629516728 361115323 /nfs/dbraw/zinc/11/53/23/361115323.db2.gz OHXPUOZJFRUZRW-NQBHXWOUSA-N 2 0 226.364 1.471 20 0 BDADRP CC[C@H]1CC[C@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629520159 361115533 /nfs/dbraw/zinc/11/55/33/361115533.db2.gz KWVVEZGFSIAWMC-WDEREUQCSA-N 2 0 212.337 1.273 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000629528191 361133177 /nfs/dbraw/zinc/13/31/77/361133177.db2.gz RUDRBQDBGWZALI-MROQNXINSA-N 2 0 226.364 1.674 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H](C)C(C)(C)C ZINC000629528490 361137216 /nfs/dbraw/zinc/13/72/16/361137216.db2.gz AFAJCDUIJGCTGK-SNVBAGLBSA-N 2 0 202.342 1.247 20 0 BDADRP Nc1ncccc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000629529010 361138169 /nfs/dbraw/zinc/13/81/69/361138169.db2.gz PEZRNLCYZLHMOY-LLVKDONJSA-N 2 0 234.347 1.225 20 0 BDADRP CC[C@H]1CCCC[C@@H]1[NH2+]CCOCC[NH2+]C ZINC000629529910 361141422 /nfs/dbraw/zinc/14/14/22/361141422.db2.gz QGFYHMHYJZYVPR-STQMWFEESA-N 2 0 228.380 1.781 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H](C)C1CCSCC1 ZINC000629530481 361144392 /nfs/dbraw/zinc/14/43/92/361144392.db2.gz HWPCAULCCZCUCI-LLVKDONJSA-N 2 0 246.420 1.344 20 0 BDADRP CC[C@@H]1CC[C@H]1[NH2+]CCOCC[NH2+]C ZINC000629530552 361144564 /nfs/dbraw/zinc/14/45/64/361144564.db2.gz JTAOZYJSVJXOJT-GHMZBOCLSA-N 2 0 200.326 1.001 20 0 BDADRP CCO[C@H](C[N@@H+]1CCC[C@@H](CC[NH3+])C1)C1CC1 ZINC000629530158 361147651 /nfs/dbraw/zinc/14/76/51/361147651.db2.gz XAFWZDMNHVNSOT-GXTWGEPZSA-N 2 0 240.391 1.862 20 0 BDADRP Cc1cncc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000629532019 361150056 /nfs/dbraw/zinc/15/00/56/361150056.db2.gz INDIATFWWOWLGR-UHFFFAOYSA-N 2 0 245.370 1.966 20 0 BDADRP Cc1ncccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000629532092 361152011 /nfs/dbraw/zinc/15/20/11/361152011.db2.gz LLJABDTUAKWRPJ-RBSFLKMASA-N 2 0 245.370 1.868 20 0 BDADRP Nc1ncccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000629532638 361153879 /nfs/dbraw/zinc/15/38/79/361153879.db2.gz KQUKBXRURQUJLV-TXEJJXNPSA-N 2 0 246.358 1.095 20 0 BDADRP CC(C)CC[C@@H](CO)[NH2+]C1CCC(C[NH3+])CC1 ZINC000629524011 361121279 /nfs/dbraw/zinc/12/12/79/361121279.db2.gz PNOHBVIDLVUGLB-RUXDESIVSA-N 2 0 242.407 1.891 20 0 BDADRP COC(=O)CC1([NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000578991623 366688818 /nfs/dbraw/zinc/68/88/18/366688818.db2.gz JRMUWAJNEYUZLZ-GHMZBOCLSA-N 2 0 240.347 1.060 20 0 BDADRP C[C@@H](O)C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640534609 361303229 /nfs/dbraw/zinc/30/32/29/361303229.db2.gz QOWXQYJDCAJVNB-CYBMUJFWSA-N 2 0 228.380 1.565 20 0 BDADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC1([NH3+])CCCCC1 ZINC000428488171 201023812 /nfs/dbraw/zinc/02/38/12/201023812.db2.gz YZRCUVPLCXPJRV-MNOVXSKESA-N 2 0 241.379 1.138 20 0 BDADRP C[C@H]([NH3+])CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000622044815 370677205 /nfs/dbraw/zinc/67/72/05/370677205.db2.gz TYVGRBKPIHNVIT-UMSGYPCISA-N 2 0 225.380 1.234 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+]CC[C@H](C)[NH3+])C1 ZINC000622044519 370677425 /nfs/dbraw/zinc/67/74/25/370677425.db2.gz JAWHPTUBKKXMET-AXFHLTTASA-N 2 0 200.326 1.271 20 0 BDADRP CC1CC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000622044902 370678635 /nfs/dbraw/zinc/67/86/35/370678635.db2.gz XECKGQKZDCAZKQ-ACDMLXGOSA-N 2 0 208.349 1.905 20 0 BDADRP CC(C)[C@H]1C[C@H]([NH2+]CC[C@H](C)[NH3+])CCO1 ZINC000622045145 370678893 /nfs/dbraw/zinc/67/88/93/370678893.db2.gz DCGZYSXKMWIVIO-QJPTWQEYSA-N 2 0 214.353 1.517 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)C1CCOCC1 ZINC000622045678 370679491 /nfs/dbraw/zinc/67/94/91/370679491.db2.gz NQAQZRPLRNQSPN-UWVGGRQHSA-N 2 0 200.326 1.128 20 0 BDADRP Cc1ncc([C@@H](C)[NH2+]CC[C@H](C)[NH3+])c(C)n1 ZINC000622045749 370679833 /nfs/dbraw/zinc/67/98/33/370679833.db2.gz URIMPAJVIDWGFX-DTWKUNHWSA-N 2 0 222.336 1.481 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000428307178 201008378 /nfs/dbraw/zinc/00/83/78/201008378.db2.gz SFWAGJYMWZZQQT-AWEZNQCLSA-N 2 0 249.358 1.862 20 0 BDADRP [NH3+]C1(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CCC1 ZINC000295287558 181329434 /nfs/dbraw/zinc/32/94/34/181329434.db2.gz WSVRFVKDZCLZFL-UHFFFAOYSA-N 2 0 245.326 1.152 20 0 BDADRP C[C@H]([NH2+]CCOCCC[NH3+])C1CCCC1 ZINC000629539194 361404588 /nfs/dbraw/zinc/40/45/88/361404588.db2.gz OYXKTGGTSYQMBS-NSHDSACASA-N 2 0 214.353 1.520 20 0 BDADRP CCC[C@H](C)CCC[N@H+](C)C[C@@H](O)C[NH3+] ZINC000629539181 361405219 /nfs/dbraw/zinc/40/52/19/361405219.db2.gz VPESFBSPBNNEGB-RYUDHWBXSA-N 2 0 216.369 1.454 20 0 BDADRP C[C@@H]1CC[C@H](N[C@H]2CCCCC[C@@H]2[NH3+])C[NH2+]1 ZINC000629536202 361398835 /nfs/dbraw/zinc/39/88/35/361398835.db2.gz FBCQAOCFAPZSDC-VOAKCMCISA-N 2 0 225.380 1.377 20 0 BDADRP [NH3+]CCCOCC[NH2+][C@H]1CCc2ccccc21 ZINC000629536493 361398981 /nfs/dbraw/zinc/39/89/81/361398981.db2.gz FLKQTSBCGLQMEI-AWEZNQCLSA-N 2 0 234.343 1.629 20 0 BDADRP CCC(C)(C)[C@H](C)[NH2+]CCOCCC[NH3+] ZINC000629537045 361399521 /nfs/dbraw/zinc/39/95/21/361399521.db2.gz IAULDOPWGQKBEX-NSHDSACASA-N 2 0 216.369 1.766 20 0 BDADRP C[C@H](Cc1ccoc1)[NH2+]CCOCCC[NH3+] ZINC000629537481 361401153 /nfs/dbraw/zinc/40/11/53/361401153.db2.gz JPVDJIFNMGCROO-LLVKDONJSA-N 2 0 226.320 1.166 20 0 BDADRP CC[C@@H]1CCC[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629535884 361411258 /nfs/dbraw/zinc/41/12/58/361411258.db2.gz FLFPKRHPBCRUSN-NEPJUHHUSA-N 2 0 214.353 1.520 20 0 BDADRP CC[N@@H+]1CC[C@H](N[C@@H]2CC[C@H](C)[NH2+]C2)[C@H](C)C1 ZINC000629540995 361415599 /nfs/dbraw/zinc/41/55/99/361415599.db2.gz ZLGGRXFZBWPOFW-RQJABVFESA-N 3 0 239.407 1.447 20 0 BDADRP CCN(CCO)CC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000309907140 491158031 /nfs/dbraw/zinc/15/80/31/491158031.db2.gz KXRMICICJSFVFO-OLZOCXBDSA-N 2 0 226.364 1.079 20 0 BDADRP COCC[C@H]1CCC[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629534873 361408956 /nfs/dbraw/zinc/40/89/56/361408956.db2.gz AYPSBOURKPZOCJ-CHWSQXEVSA-N 2 0 244.379 1.147 20 0 BDADRP C[C@@H]1CC[C@H](N[C@H]2CC[NH2+]CC[C@H]2C)C[NH2+]1 ZINC000629535754 361409892 /nfs/dbraw/zinc/40/98/92/361409892.db2.gz CZDBUQXXRBWGOX-NDBYEHHHSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000629545041 361424297 /nfs/dbraw/zinc/42/42/97/361424297.db2.gz AMENRGXJWPAFKD-RUZUBIRVSA-N 2 0 238.375 1.532 20 0 BDADRP C[NH+](C)C1CCC([NH2+]Cc2ccon2)CC1 ZINC000309914368 491158114 /nfs/dbraw/zinc/15/81/14/491158114.db2.gz OLNJOXASNHIBPT-UHFFFAOYSA-N 2 0 223.320 1.637 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000629546755 361428667 /nfs/dbraw/zinc/42/86/67/361428667.db2.gz HHIPOHBAVPYTQE-RNJOBUHISA-N 2 0 224.348 1.271 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc[nH]c1=O ZINC000629546800 361428950 /nfs/dbraw/zinc/42/89/50/361428950.db2.gz PWUZVQIWDKUCSX-JQWIXIFHSA-N 2 0 235.331 1.265 20 0 BDADRP CC[C@H](N[C@@H]1CO[C@H](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000629547100 361430815 /nfs/dbraw/zinc/43/08/15/361430815.db2.gz JJMHWEGRRUUNEJ-XUXIUFHCSA-N 2 0 238.375 1.674 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000629547799 361431926 /nfs/dbraw/zinc/43/19/26/361431926.db2.gz UTXCRTYFJALCDB-QNSTZXKLSA-N 2 0 237.391 1.199 20 0 BDADRP O=c1[nH]cccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000629548141 361432888 /nfs/dbraw/zinc/43/28/88/361432888.db2.gz WFAXMQPPIWLORX-KGYLQXTDSA-N 2 0 247.342 1.265 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)C1CC[NH+](C)CC1 ZINC000629548543 361434382 /nfs/dbraw/zinc/43/43/82/361434382.db2.gz QAWHLGFDLDBIEW-NTZNESFSSA-N 3 0 225.380 1.057 20 0 BDADRP C[C@@H]1C[NH+](CCOCC[NH3+])C[C@@H](C)C1(F)F ZINC000629552274 361435780 /nfs/dbraw/zinc/43/57/80/361435780.db2.gz GRASXKNWWBAGPK-NXEZZACHSA-N 2 0 236.306 1.185 20 0 BDADRP C[C@@H]1C[N@@H+](CCC[NH3+])C[C@H](C)C1(F)F ZINC000629552836 361436601 /nfs/dbraw/zinc/43/66/01/361436601.db2.gz RBJBWDQGYMWKHM-DTORHVGOSA-N 2 0 206.280 1.558 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000629550056 361443253 /nfs/dbraw/zinc/44/32/53/361443253.db2.gz XIDUDZQARNAHAI-QSFUFRPTSA-N 2 0 212.337 1.269 20 0 BDADRP CN(CC[NH2+][C@H]1CCC[C@H]([NH3+])C1)CC(F)F ZINC000629555359 361447630 /nfs/dbraw/zinc/44/76/30/361447630.db2.gz VIXRZCPURKZACI-UWVGGRQHSA-N 2 0 235.322 1.043 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)CC[C@@H]1CCCCO1 ZINC000629570630 361460889 /nfs/dbraw/zinc/46/08/89/361460889.db2.gz ABFKJQCDHBNNIT-ZDUSSCGKSA-N 2 0 244.379 1.113 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)Cc1ccc(C)cn1 ZINC000629571762 361463700 /nfs/dbraw/zinc/46/37/00/361463700.db2.gz IJWLNYFJTYTPKA-UHFFFAOYSA-N 2 0 237.347 1.058 20 0 BDADRP CCc1cccc(OCC[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000430951062 201159366 /nfs/dbraw/zinc/15/93/66/201159366.db2.gz KEBGEIALEUHXPM-CQSZACIVSA-N 2 0 248.370 1.908 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629562454 361456016 /nfs/dbraw/zinc/45/60/16/361456016.db2.gz AKSUAVIKLTVEKC-BDAKNGLRSA-N 2 0 224.270 1.854 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629562475 361456149 /nfs/dbraw/zinc/45/61/49/361456149.db2.gz AKSUAVIKLTVEKC-DTWKUNHWSA-N 2 0 224.270 1.854 20 0 BDADRP CC[C@H](C(=O)Nc1ccc2c(c1)C[NH2+]C2)[NH+](C)C ZINC000629615443 361504120 /nfs/dbraw/zinc/50/41/20/361504120.db2.gz PDLOGGSGURGPSK-CYBMUJFWSA-N 2 0 247.342 1.569 20 0 BDADRP COCCC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152413308 201197550 /nfs/dbraw/zinc/19/75/50/201197550.db2.gz XYHQBXZPDGXTBH-LBPRGKRZSA-N 2 0 214.353 1.297 20 0 BDADRP Cn1ccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000629655214 361560072 /nfs/dbraw/zinc/56/00/72/361560072.db2.gz UFNHXWLXMNVURE-GJZGRUSLSA-N 2 0 247.386 1.847 20 0 BDADRP COC1(C[NH2+]CC[C@@H]2CC[NH2+]C2)CCCC1 ZINC000629648128 361539011 /nfs/dbraw/zinc/53/90/11/361539011.db2.gz PDFQEVNRMIITOA-LBPRGKRZSA-N 2 0 226.364 1.535 20 0 BDADRP Cn1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)c1 ZINC000629648354 361541143 /nfs/dbraw/zinc/54/11/43/361541143.db2.gz UHPYGINFOUCKAF-NSHDSACASA-N 2 0 207.321 1.114 20 0 BDADRP Cc1cnccc1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000629648636 361542215 /nfs/dbraw/zinc/54/22/15/361542215.db2.gz XXMVFMDJSASMMA-JSGCOSHPSA-N 2 0 233.359 1.868 20 0 BDADRP C1=C(C[NH2+][C@H]2CC23CC[NH2+]CC3)COCC1 ZINC000629648884 361542399 /nfs/dbraw/zinc/54/23/99/361542399.db2.gz BMJDVQICGNLTCY-LBPRGKRZSA-N 2 0 222.332 1.065 20 0 BDADRP COCc1ccc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)o1 ZINC000629649188 361543800 /nfs/dbraw/zinc/54/38/00/361543800.db2.gz LELHQCYIAUEIPD-MNOVXSKESA-N 2 0 238.331 1.643 20 0 BDADRP Cn1ccc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c1 ZINC000629649389 361544378 /nfs/dbraw/zinc/54/43/78/361544378.db2.gz SKFBLYCMIKNKJP-CYBMUJFWSA-N 2 0 221.348 1.647 20 0 BDADRP COCC(C)(C)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000629650817 361548250 /nfs/dbraw/zinc/54/82/50/361548250.db2.gz FUSMNUZGOHOUMS-NSHDSACASA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](CC2=CCCOC2)CC1 ZINC000629652052 361550274 /nfs/dbraw/zinc/55/02/74/361550274.db2.gz UOSTXPYRWMJOGR-LLVKDONJSA-N 2 0 224.348 1.392 20 0 BDADRP C[C@@H]1CCC[C@@H](C[NH2+]CC2([NH3+])CCOCC2)C1 ZINC000629653439 361552575 /nfs/dbraw/zinc/55/25/75/361552575.db2.gz HJXKWRDRBHWCFX-CHWSQXEVSA-N 2 0 240.391 1.910 20 0 BDADRP [NH3+]CC[C@H]1CCC[N@H+](CC2=CCCOC2)C1 ZINC000629653851 361554942 /nfs/dbraw/zinc/55/49/42/361554942.db2.gz LBTFXRSXCGYFMZ-GFCCVEGCSA-N 2 0 224.348 1.394 20 0 BDADRP Cn1ccc(C[N@H+](C)C2CC[NH2+]CC2)c1 ZINC000629651924 361557295 /nfs/dbraw/zinc/55/72/95/361557295.db2.gz PCYJUTWFJNSIBT-UHFFFAOYSA-N 2 0 207.321 1.209 20 0 BDADRP C[C@@H]1CCC[C@H](C[NH2+]CCOCCC[NH3+])C1 ZINC000629677694 361600419 /nfs/dbraw/zinc/60/04/19/361600419.db2.gz DKPGQMVDHHMEOG-OLZOCXBDSA-N 2 0 228.380 1.768 20 0 BDADRP CC(C)C[C@H](C)C[NH2+]CCOCCC[NH3+] ZINC000629680444 361601997 /nfs/dbraw/zinc/60/19/97/361601997.db2.gz QTXODCCPBQNILS-LBPRGKRZSA-N 2 0 216.369 1.624 20 0 BDADRP [NH3+][C@@H](C(=O)NC1CCC([NH3+])CC1)c1ccccc1 ZINC000051694727 181341694 /nfs/dbraw/zinc/34/16/94/181341694.db2.gz FHLJINQAQXBVRF-WXRRBKDZSA-N 2 0 247.342 1.073 20 0 BDADRP [NH3+]C1CCC([NH2+]Cc2cnn3ccccc23)CC1 ZINC000071373481 181341742 /nfs/dbraw/zinc/34/17/42/181341742.db2.gz VPOUGIOUCJDHHQ-UHFFFAOYSA-N 2 0 244.342 1.694 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@](C)(O)CC)[C@@H](C)C1 ZINC000154510949 201281148 /nfs/dbraw/zinc/28/11/48/201281148.db2.gz TUAWICSCQYWHFH-RWMBFGLXSA-N 2 0 228.380 1.467 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000435883568 201294581 /nfs/dbraw/zinc/29/45/81/201294581.db2.gz ZTTQKNHIHNQMEC-NSHDSACASA-N 2 0 222.336 1.199 20 0 BDADRP C[NH2+]CCC[N@H+](C)[C@H]1C[C@@](C)(OC)C1(C)C ZINC000435885752 201295671 /nfs/dbraw/zinc/29/56/71/201295671.db2.gz NTMPZBJGCCQLKC-WCQYABFASA-N 2 0 228.380 1.731 20 0 BDADRP C[NH2+]CCC[N@H+](CCO)[C@H]1CCc2ccccc21 ZINC000435885527 201295736 /nfs/dbraw/zinc/29/57/36/201295736.db2.gz LCZMRTFURDYORZ-HNNXBMFYSA-N 2 0 248.370 1.578 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)[C@@H](C)O ZINC000387339111 363838755 /nfs/dbraw/zinc/83/87/55/363838755.db2.gz SZEHUAJAMZBNPR-YTWAJWBKSA-N 2 0 200.326 1.005 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000422740577 541307260 /nfs/dbraw/zinc/30/72/60/541307260.db2.gz CAWDIWCTQFFDTI-LBELIVKGSA-N 2 0 224.348 1.556 20 0 BDADRP CCC[C@@H]([NH3+])c1cn(-c2cccc(C[NH3+])c2)nn1 ZINC000630608222 364334620 /nfs/dbraw/zinc/33/46/20/364334620.db2.gz WBIVCLKEUPBUSQ-GFCCVEGCSA-N 2 0 245.330 1.526 20 0 BDADRP CC(C)(C)[C@H]([NH3+])c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000630605957 364337068 /nfs/dbraw/zinc/33/70/68/364337068.db2.gz RDWIYCANELXZSC-MWLCHTKSSA-N 2 0 237.351 1.076 20 0 BDADRP CC(C)(C)[C@@H]([NH3+])c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000630605958 364337221 /nfs/dbraw/zinc/33/72/21/364337221.db2.gz RDWIYCANELXZSC-ONGXEEELSA-N 2 0 237.351 1.076 20 0 BDADRP CC(C)(C)[C@H]([NH3+])c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000630605955 364337708 /nfs/dbraw/zinc/33/77/08/364337708.db2.gz RDWIYCANELXZSC-GXSJLCMTSA-N 2 0 237.351 1.076 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@H]2CCSC2)CC1 ZINC000335024955 181363874 /nfs/dbraw/zinc/36/38/74/181363874.db2.gz QWZWPMRJMLMJKK-ILDUYXDCSA-N 2 0 214.378 1.599 20 0 BDADRP CC[NH+]1CCC(N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000399077580 364780963 /nfs/dbraw/zinc/78/09/63/364780963.db2.gz QIBUXCFTASOVPX-AAEUAGOBSA-N 2 0 225.380 1.201 20 0 BDADRP CCc1nc(C[NH2+][C@@H](C)CCC[NH3+])cs1 ZINC000336887219 364788522 /nfs/dbraw/zinc/78/85/22/364788522.db2.gz IBHABEWGOQHTBS-VIFPVBQESA-N 2 0 227.377 1.923 20 0 BDADRP O[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000328317586 364826448 /nfs/dbraw/zinc/82/64/48/364826448.db2.gz CVZLSHZRIXVGMF-MCIONIFRSA-N 2 0 238.375 1.223 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cccc(C(N)=O)c1 ZINC000573445793 364834897 /nfs/dbraw/zinc/83/48/97/364834897.db2.gz VLXQWFWGTMIQDB-NXEZZACHSA-N 2 0 235.331 1.001 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CC[C@H](CO)CC2)C1 ZINC000573624031 364877873 /nfs/dbraw/zinc/87/78/73/364877873.db2.gz HUNOTZJMADKSIZ-FDYHWXHSSA-N 2 0 226.364 1.397 20 0 BDADRP C[NH2+]Cc1ccccc1NC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000573723929 364902558 /nfs/dbraw/zinc/90/25/58/364902558.db2.gz HGZOSLYYLOVMKU-JQWIXIFHSA-N 2 0 247.342 1.343 20 0 BDADRP C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCCC[NH2+]1 ZINC000333342314 541401348 /nfs/dbraw/zinc/40/13/48/541401348.db2.gz YJSAPJLKDFNBFJ-RNJOBUHISA-N 2 0 225.380 1.377 20 0 BDADRP [NH3+]CCCCCC(=O)NCCC[NH+]1CCCC1 ZINC000037467321 181373361 /nfs/dbraw/zinc/37/33/61/181373361.db2.gz BXJWPHFHAVCXNJ-UHFFFAOYSA-N 2 0 241.379 1.108 20 0 BDADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)[C@H](C)O)C1 ZINC000573914375 364943857 /nfs/dbraw/zinc/94/38/57/364943857.db2.gz ZUUZRLAKCDFDRH-HZSPNIEDSA-N 2 0 242.407 1.713 20 0 BDADRP [NH3+]CCCC[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000037715226 181377257 /nfs/dbraw/zinc/37/72/57/181377257.db2.gz RFNBPOLLSCKDDW-UHFFFAOYSA-N 2 0 245.326 1.357 20 0 BDADRP [NH3+]CCCN1CC[NH+](C2CCCCCC2)CC1 ZINC000082549612 181381031 /nfs/dbraw/zinc/38/10/31/181381031.db2.gz PMWDDVHSBVNHBK-UHFFFAOYSA-N 2 0 239.407 1.676 20 0 BDADRP C[C@H](O)[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000574392834 365051286 /nfs/dbraw/zinc/05/12/86/365051286.db2.gz IGWNIZULSMMUDJ-YFKTTZPYSA-N 2 0 214.353 1.218 20 0 BDADRP O[C@H]1CCCC[C@@H]1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000574643917 365110811 /nfs/dbraw/zinc/11/08/11/365110811.db2.gz CQXATUXQYCLENY-OLZOCXBDSA-N 2 0 238.375 1.365 20 0 BDADRP CC(C)[C@@](C)(C[NH3+])[NH2+]CCOC[C@H]1CCCO1 ZINC000575060263 365182482 /nfs/dbraw/zinc/18/24/82/365182482.db2.gz ARJWHJYZKZGABV-CHWSQXEVSA-N 2 0 244.379 1.145 20 0 BDADRP CC[NH+](CC)CCC[N@H+](C)CC(C)(C)O ZINC000171940774 365257232 /nfs/dbraw/zinc/25/72/32/365257232.db2.gz CLXMTLJGHZDENT-UHFFFAOYSA-N 2 0 216.369 1.421 20 0 BDADRP COC[C@H](C)C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000575850664 365384667 /nfs/dbraw/zinc/38/46/67/365384667.db2.gz NBZWLELWPLDBJG-NEPJUHHUSA-N 2 0 214.353 1.248 20 0 BDADRP CC1(C)CCC[NH2+][C@@H]1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000579731496 366996997 /nfs/dbraw/zinc/99/69/97/366996997.db2.gz LKEWAPXZGCPXNZ-RWMBFGLXSA-N 2 0 239.407 1.624 20 0 BDADRP Cc1nn(C)c(C)c1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000580834544 367179360 /nfs/dbraw/zinc/17/93/60/367179360.db2.gz TWBQOAZOFNOVIU-BDAKNGLRSA-N 2 0 224.352 1.252 20 0 BDADRP CC[N@H+](CCN[C@@H]1CCC[C@H]([NH3+])C1)C(C)C ZINC000580963193 367220723 /nfs/dbraw/zinc/22/07/23/367220723.db2.gz OXYGDDSFEHQXJP-QWHCGFSZSA-N 2 0 227.396 1.576 20 0 BDADRP C=Cn1cc(CNC[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000194352267 367280667 /nfs/dbraw/zinc/28/06/67/367280667.db2.gz IHPXYGSWIZPYBJ-LBPRGKRZSA-N 2 0 234.347 1.415 20 0 BDADRP CCN(C)C[C@@H](O)C[N@H+](CC(C)C)C1CC1 ZINC000381094462 367350127 /nfs/dbraw/zinc/35/01/27/367350127.db2.gz WCSZFXWDXQRABS-CYBMUJFWSA-N 2 0 228.380 1.419 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)[C@H](C)O1 ZINC000581251771 367309657 /nfs/dbraw/zinc/30/96/57/367309657.db2.gz LSRJLDHHLFJMKH-SUNKGSAMSA-N 2 0 234.343 1.801 20 0 BDADRP CC[C@@H](C)C[N@H+](CC)C[C@H](O)CN(C)CC ZINC000380970776 367326602 /nfs/dbraw/zinc/32/66/02/367326602.db2.gz ALJTXPYELCAPPA-CHWSQXEVSA-N 2 0 230.396 1.667 20 0 BDADRP CN(C[C@@H](O)C[NH2+]C[C@@H]1CC=CCC1)C1CC1 ZINC000383497107 367629347 /nfs/dbraw/zinc/62/93/47/367629347.db2.gz DJGNJBXVVACBBG-OCCSQVGLSA-N 2 0 238.375 1.387 20 0 BDADRP C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)[C@H]1CCCO1 ZINC000383971671 367664888 /nfs/dbraw/zinc/66/48/88/367664888.db2.gz IQLSLQLDKYJJBJ-HZSPNIEDSA-N 2 0 238.375 1.487 20 0 BDADRP Oc1cccc(CNC[C@@H]2CCC[NH2+]C2)c1 ZINC000384004784 367668551 /nfs/dbraw/zinc/66/85/51/367668551.db2.gz WXYIHZHETRPORL-GFCCVEGCSA-N 2 0 220.316 1.481 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCCSC1 ZINC000384131482 367673548 /nfs/dbraw/zinc/67/35/48/367673548.db2.gz LIRLUJLYJUQWCN-NEPJUHHUSA-N 2 0 246.420 1.473 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)[C@@H](C)O1 ZINC000384749391 367726292 /nfs/dbraw/zinc/72/62/92/367726292.db2.gz MNIXROADKXUCFV-WYUUTHIRSA-N 2 0 212.337 1.142 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC2CC[NH+](C)CC2)[C@@H](C)O1 ZINC000384869092 367747577 /nfs/dbraw/zinc/74/75/77/367747577.db2.gz IEPZPCCVWRPZOR-BZPMIXESSA-N 2 0 240.391 1.874 20 0 BDADRP CC(C)CCOCC[N@H+](C)C1CC([NH3+])C1 ZINC000384911643 367756029 /nfs/dbraw/zinc/75/60/29/367756029.db2.gz YOSUESKWPYMUQR-UHFFFAOYSA-N 2 0 214.353 1.471 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H]2C[C@@H](C)O[C@@H]2C)C1 ZINC000384962690 367766737 /nfs/dbraw/zinc/76/67/37/367766737.db2.gz SIFVIQTYQHNOGB-MQYQWHSLSA-N 2 0 240.391 1.872 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000566229873 326018979 /nfs/dbraw/zinc/01/89/79/326018979.db2.gz QSQAAPSRKBAXPC-ODXJTPSBSA-N 2 0 239.407 1.623 20 0 BDADRP C[C@@H]([NH2+]CCCn1cccn1)[C@@H]1CCCC[NH2+]1 ZINC000385942429 367888641 /nfs/dbraw/zinc/88/86/41/367888641.db2.gz BGEZNSVVPRXXIM-OLZOCXBDSA-N 2 0 236.363 1.393 20 0 BDADRP C[C@H](NC[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000385983825 367892566 /nfs/dbraw/zinc/89/25/66/367892566.db2.gz IFGYKDRFNMDHLQ-IHRRRGAJSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H](NCC1([NH+](C)C)CCC1)[C@H]1CCCC[NH2+]1 ZINC000385991378 367893772 /nfs/dbraw/zinc/89/37/72/367893772.db2.gz JCVLKBVQTPPIPD-QWHCGFSZSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000385999319 367895542 /nfs/dbraw/zinc/89/55/42/367895542.db2.gz KIZAVDJXCZAMKT-FQUUOJAGSA-N 2 0 239.407 1.589 20 0 BDADRP CC[N@H+](CCN[C@H](C)[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000386012161 367896923 /nfs/dbraw/zinc/89/69/23/367896923.db2.gz MVKMNGJPNPTNDX-OCCSQVGLSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](CO)C1CCCC1 ZINC000386021974 367899035 /nfs/dbraw/zinc/89/90/35/367899035.db2.gz OVBAJZIRHHOHIX-YPMHNXCESA-N 2 0 228.380 1.645 20 0 BDADRP C[C@H](N[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000386036822 367901519 /nfs/dbraw/zinc/90/15/19/367901519.db2.gz RVJYPWFCLFLZBD-OBJOEFQTSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@H](N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCCC[NH2+]1 ZINC000386036826 367902208 /nfs/dbraw/zinc/90/22/08/367902208.db2.gz RVJYPWFCLFLZBD-OUCADQQQSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@@H](NCCC[NH+](C)C)[C@H]1CCCC[NH2+]1 ZINC000386552036 367990967 /nfs/dbraw/zinc/99/09/67/367990967.db2.gz HCOUWFYXWLYUTF-VXGBXAGGSA-N 2 0 213.369 1.058 20 0 BDADRP C[C@H](NCCC[NH+](C)C)[C@H]1CCCC[NH2+]1 ZINC000386552034 367991205 /nfs/dbraw/zinc/99/12/05/367991205.db2.gz HCOUWFYXWLYUTF-NWDGAFQWSA-N 2 0 213.369 1.058 20 0 BDADRP C[C@@H]([NH2+]CCCC[NH+](C)C)[C@H]1CCCC[NH2+]1 ZINC000386576023 367994925 /nfs/dbraw/zinc/99/49/25/367994925.db2.gz NFGZCINXFITQNT-CHWSQXEVSA-N 3 0 227.396 1.448 20 0 BDADRP CC(C)[N@H+](C)CCN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386620918 368002692 /nfs/dbraw/zinc/00/26/92/368002692.db2.gz YEGPHOPVBTWZRV-QWHCGFSZSA-N 2 0 227.396 1.447 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCS2)C1 ZINC000087668302 367962943 /nfs/dbraw/zinc/96/29/43/367962943.db2.gz YZFXFIXNIHVMIP-MXWKQRLJSA-N 2 0 214.378 1.742 20 0 BDADRP Cc1ncccc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000581943533 367971167 /nfs/dbraw/zinc/97/11/67/367971167.db2.gz LFDPDRREHMSTKM-NXEZZACHSA-N 2 0 207.321 1.605 20 0 BDADRP Cc1ncccc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000581943534 367971854 /nfs/dbraw/zinc/97/18/54/367971854.db2.gz LFDPDRREHMSTKM-UWVGGRQHSA-N 2 0 207.321 1.605 20 0 BDADRP CCC(CC)(CO)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386452893 367976240 /nfs/dbraw/zinc/97/62/40/367976240.db2.gz OEQAFBOGGIXYPJ-CHWSQXEVSA-N 2 0 242.407 1.905 20 0 BDADRP CC[NH+](CC)CCCN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386473286 367979023 /nfs/dbraw/zinc/97/90/23/367979023.db2.gz QUYONLNSMMMUEM-ZIAGYGMSSA-N 2 0 241.423 1.839 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000566423168 326044261 /nfs/dbraw/zinc/04/42/61/326044261.db2.gz BZAKABKPWMNPFX-IJLUTSLNSA-N 2 0 226.364 1.220 20 0 BDADRP C[NH+]1CCC(O)(C[NH2+]Cc2ccccc2)CC1 ZINC000059161683 368529604 /nfs/dbraw/zinc/52/96/04/368529604.db2.gz IHMPBXXUNSHPEE-UHFFFAOYSA-N 2 0 234.343 1.233 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)O1 ZINC000253196852 368613191 /nfs/dbraw/zinc/61/31/91/368613191.db2.gz UDXGIRJMVKRDEN-FDYHWXHSSA-N 2 0 226.364 1.471 20 0 BDADRP [NH3+]CCCC[NH2+]Cc1cccc(F)c1F ZINC000082522975 368691540 /nfs/dbraw/zinc/69/15/40/368691540.db2.gz VJQBQVLVABRHFH-UHFFFAOYSA-N 2 0 214.259 1.793 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCC(F)(F)F)C1 ZINC000086404109 368879605 /nfs/dbraw/zinc/87/96/05/368879605.db2.gz IGXXCVZVMMIRID-SFYZADRCSA-N 2 0 210.243 1.798 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCCOCC2CC2)C1 ZINC000086402437 368879807 /nfs/dbraw/zinc/87/98/07/368879807.db2.gz SYKHXYBZILOQOR-STQMWFEESA-N 2 0 226.364 1.663 20 0 BDADRP Cc1cccnc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000086404180 368880305 /nfs/dbraw/zinc/88/03/05/368880305.db2.gz QCTMEBURPGSXQX-NWDGAFQWSA-N 2 0 219.332 1.750 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCOC2CCCC2)C1 ZINC000086404268 368881394 /nfs/dbraw/zinc/88/13/94/368881394.db2.gz BZYOZARDSSUSDY-VXGBXAGGSA-N 2 0 226.364 1.805 20 0 BDADRP CC[C@H](COC)[NH2+]CC1CC[NH2+]CC1 ZINC000086701263 368884171 /nfs/dbraw/zinc/88/41/71/368884171.db2.gz IIKJFLKKASNYBG-LLVKDONJSA-N 2 0 200.326 1.001 20 0 BDADRP C[N@@H+]1CCCC[C@@H](C[NH2+]CC2=CCCOC2)C1 ZINC000623655648 368992030 /nfs/dbraw/zinc/99/20/30/368992030.db2.gz BBHLJHBIVXEUAQ-ZDUSSCGKSA-N 2 0 238.375 1.655 20 0 BDADRP C[NH2+]C[C@](C)(O)C[NH+]1CCC(CCF)CC1 ZINC000631837206 369090244 /nfs/dbraw/zinc/09/02/44/369090244.db2.gz OTBCMNVSLGCSOG-LBPRGKRZSA-N 2 0 232.343 1.028 20 0 BDADRP C[C@@H](O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000459395649 203273698 /nfs/dbraw/zinc/27/36/98/203273698.db2.gz BIOQTTJBFYCJEW-UPJWGTAASA-N 2 0 240.391 1.610 20 0 BDADRP COC(C)(C)C[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000404296514 369425919 /nfs/dbraw/zinc/42/59/19/369425919.db2.gz CWBVTNBPXLMXAW-GFCCVEGCSA-N 2 0 228.380 1.733 20 0 BDADRP C=Cn1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000459730621 203344455 /nfs/dbraw/zinc/34/44/55/203344455.db2.gz DYTGEEMTWZGEBY-CYBMUJFWSA-N 2 0 248.374 1.805 20 0 BDADRP C[C@H]1C[C@H]([NH3+])CN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000631862352 369514764 /nfs/dbraw/zinc/51/47/64/369514764.db2.gz OFUKAGVAAZEESD-NHYWBVRUSA-N 2 0 245.370 1.254 20 0 BDADRP CN(C[C@@H](O)C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C1CC1 ZINC000459794074 203370331 /nfs/dbraw/zinc/37/03/31/203370331.db2.gz WKUMNESDURCBIS-SAXRGWBVSA-N 2 0 238.375 1.220 20 0 BDADRP COCCC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567889629 326277058 /nfs/dbraw/zinc/27/70/58/326277058.db2.gz DHYKJGONSFGWRK-LBPRGKRZSA-N 2 0 212.337 1.098 20 0 BDADRP CC1(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000309805195 370263595 /nfs/dbraw/zinc/26/35/95/370263595.db2.gz RZALYVBQYPKAIV-SDDRHHMPSA-N 2 0 208.349 1.846 20 0 BDADRP C[C@@H](O)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000309884820 370272079 /nfs/dbraw/zinc/27/20/79/370272079.db2.gz XRFCBWKWMYPXQO-FDYHWXHSSA-N 2 0 226.364 1.220 20 0 BDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C[NH+](CC)CC ZINC000066124916 370552621 /nfs/dbraw/zinc/55/26/21/370552621.db2.gz QRJMJQBIEBTNHT-GFCCVEGCSA-N 2 0 243.395 1.175 20 0 BDADRP CN1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C(C)(C)C1 ZINC000621776484 370524185 /nfs/dbraw/zinc/52/41/85/370524185.db2.gz MRZQBRSSTDYNTJ-CYBMUJFWSA-N 2 0 239.407 1.402 20 0 BDADRP CCn1nccc1CCN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000621776889 370526116 /nfs/dbraw/zinc/52/61/16/370526116.db2.gz ZJOXTARAVKHJQO-GXTWGEPZSA-N 2 0 248.374 1.129 20 0 BDADRP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCC1CCC1)C2 ZINC000621783437 370533443 /nfs/dbraw/zinc/53/34/43/370533443.db2.gz BLBYCVNFZMQEIT-CHWSQXEVSA-N 2 0 208.349 1.990 20 0 BDADRP CC1(C)COC[C@@H]1[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000313012537 370562290 /nfs/dbraw/zinc/56/22/90/370562290.db2.gz BDAIFBALGGYUHV-DCAQKATOSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@H]([NH2+]CCCC[NH+](C)C)[C@@H]1CCCCO1 ZINC000623878435 371138755 /nfs/dbraw/zinc/13/87/55/371138755.db2.gz HXMVHSBXQNFNSP-STQMWFEESA-N 2 0 228.380 1.875 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000623824042 371108221 /nfs/dbraw/zinc/10/82/21/371108221.db2.gz VMGYQAGMNXPKJI-IGQOVBAYSA-N 2 0 238.375 1.628 20 0 BDADRP Cc1ncc(C[NH2+]CCN(C)CC(F)F)n1C ZINC000623832030 371116911 /nfs/dbraw/zinc/11/69/11/371116911.db2.gz GZCOHQKMNWQBCP-UHFFFAOYSA-N 2 0 246.305 1.015 20 0 BDADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)[C@H]1CCCCO1 ZINC000623968217 371203372 /nfs/dbraw/zinc/20/33/72/371203372.db2.gz XWKOJMYWFOHJLM-CHWSQXEVSA-N 2 0 244.379 1.112 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)[C@H]1CCOC1 ZINC000624120538 371321197 /nfs/dbraw/zinc/32/11/97/371321197.db2.gz BKGAUVXZRUMSKN-IHRRRGAJSA-N 2 0 240.391 1.733 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@H]2C[C@@H](OC)C2)CC1 ZINC000624308715 371471709 /nfs/dbraw/zinc/47/17/09/371471709.db2.gz VLOFRPRZMSIFOI-BJHJDKERSA-N 2 0 226.364 1.485 20 0 BDADRP CC(C)[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000132896709 371945189 /nfs/dbraw/zinc/94/51/89/371945189.db2.gz KMJXAOFCGPTFJH-UHFFFAOYSA-N 2 0 239.407 1.543 20 0 BDADRP CCC[C@@H](CCO)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000631667553 372493640 /nfs/dbraw/zinc/49/36/40/372493640.db2.gz QIRXWCAGZFTZMH-ZDUSSCGKSA-N 2 0 242.407 2.000 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H]2CCO[C@@H]2C)CC[C@@H]1[NH3+] ZINC000631824806 372603507 /nfs/dbraw/zinc/60/35/07/372603507.db2.gz QTTPCWQSEHPCJK-NDBYEHHHSA-N 2 0 226.364 1.471 20 0 BDADRP CC[NH2+]CC1CC[NH+](C[C@@H]2CCO[C@@H]2C)CC1 ZINC000631821898 372596756 /nfs/dbraw/zinc/59/67/56/372596756.db2.gz MJWLGZJAHISKQY-OCCSQVGLSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H]1OCC[C@H]1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000631827983 372609122 /nfs/dbraw/zinc/60/91/22/372609122.db2.gz BHTGVOBNCRJMJN-XHJNMGKDSA-N 2 0 240.391 1.717 20 0 BDADRP Cc1nccnc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000631829200 372611266 /nfs/dbraw/zinc/61/12/66/372611266.db2.gz JTJVCHSHYSWGQM-UHFFFAOYSA-N 2 0 234.347 1.346 20 0 BDADRP [NH3+][C@@H]1CCCCCN(CCn2cccn2)C1 ZINC000631833799 372617660 /nfs/dbraw/zinc/61/76/60/372617660.db2.gz JEUHTJJJWMHESB-GFCCVEGCSA-N 2 0 222.336 1.086 20 0 BDADRP Cn1ccc(CN2CCCCC[C@H]([NH3+])C2)cc1=O ZINC000631834123 372618483 /nfs/dbraw/zinc/61/84/83/372618483.db2.gz PGMPMHFNERANQX-ZDUSSCGKSA-N 2 0 249.358 1.089 20 0 BDADRP CCC1([NH+]2CCCC2)CCN(CCC[NH3+])CC1 ZINC000631837552 372629283 /nfs/dbraw/zinc/62/92/83/372629283.db2.gz UAMHIGCKEXRQRX-UHFFFAOYSA-N 2 0 239.407 1.676 20 0 BDADRP COCc1cccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000631838891 372633285 /nfs/dbraw/zinc/63/32/85/372633285.db2.gz WNLLCTYAIKEGJR-IUODEOHRSA-N 2 0 248.370 1.860 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000631826347 372606043 /nfs/dbraw/zinc/60/60/43/372606043.db2.gz LJBNANBEKHBWLU-IGQOVBAYSA-N 2 0 238.375 1.343 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000631826398 372606082 /nfs/dbraw/zinc/60/60/82/372606082.db2.gz MMQQCWBYTCLTFW-RWMBFGLXSA-N 2 0 226.364 1.615 20 0 BDADRP CC1(C)CC(C[NH+]2CCC([NH2+]CCO)CC2)C1 ZINC000631862060 372663280 /nfs/dbraw/zinc/66/32/80/372663280.db2.gz KYLRYDDRVPDDIJ-UHFFFAOYSA-N 2 0 240.391 1.469 20 0 BDADRP FC(F)[C@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000631866178 372666792 /nfs/dbraw/zinc/66/67/92/372666792.db2.gz UWQPDUWVMNFGTL-GHMZBOCLSA-N 2 0 248.317 1.342 20 0 BDADRP C([NH2+][C@]12CCC[C@@H]1C[NH2+]C2)C1CCOCC1 ZINC000631867724 372669449 /nfs/dbraw/zinc/66/94/49/372669449.db2.gz GVGPDWQDZUGPPB-OLZOCXBDSA-N 2 0 224.348 1.145 20 0 BDADRP Nc1cccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000631889693 372683641 /nfs/dbraw/zinc/68/36/41/372683641.db2.gz LOZCJTGBPAKXPT-UKRRQHHQSA-N 2 0 245.370 1.843 20 0 BDADRP COc1ccc(CN2CCC[C@@H]2C[NH3+])cc1 ZINC000039068461 372860002 /nfs/dbraw/zinc/86/00/02/372860002.db2.gz TYZSAQUTSXSFDO-GFCCVEGCSA-N 2 0 220.316 1.618 20 0 BDADRP CC[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000069016641 373106289 /nfs/dbraw/zinc/10/62/89/373106289.db2.gz MTIIVKRCWLHPJS-STQMWFEESA-N 2 0 240.391 1.828 20 0 BDADRP C[C@@H](C[NH2+]Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000040165688 373114573 /nfs/dbraw/zinc/11/45/73/373114573.db2.gz FKAWPVIOGSANPY-AWEZNQCLSA-N 2 0 247.386 1.412 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@@H]2CC[C@@H](O)C2)CC1 ZINC000189316075 205860149 /nfs/dbraw/zinc/86/01/49/205860149.db2.gz CKDRTOWTSCMYMD-TZMCWYRMSA-N 2 0 240.391 1.611 20 0 BDADRP COc1ccncc1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000381179671 373970241 /nfs/dbraw/zinc/97/02/41/373970241.db2.gz IUXJHQVJFCFZHV-NSHDSACASA-N 2 0 249.358 1.649 20 0 BDADRP Cc1nocc1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459733370 206014064 /nfs/dbraw/zinc/01/40/64/206014064.db2.gz GNHZFIRJVLADCL-GFCCVEGCSA-N 2 0 237.347 1.805 20 0 BDADRP C[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424377881 206039938 /nfs/dbraw/zinc/03/99/38/206039938.db2.gz SBMWTJGLMJHDDA-DDHJBXDOSA-N 2 0 212.337 1.271 20 0 BDADRP CCC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000450449631 206103679 /nfs/dbraw/zinc/10/36/79/206103679.db2.gz FRASPVFNMOZFRF-UONOGXRCSA-N 2 0 242.407 1.811 20 0 BDADRP Cc1cc(C[NH2+]CCC2CC[NH+](C)CC2)no1 ZINC000459426554 206126141 /nfs/dbraw/zinc/12/61/41/206126141.db2.gz MBWLIQQGDDZSRJ-UHFFFAOYSA-N 2 0 237.347 1.805 20 0 BDADRP CC(C)[N@H+](CCc1cncn1C)[C@@H]1CCOC1 ZINC000459500635 206132028 /nfs/dbraw/zinc/13/20/28/206132028.db2.gz NARMVWOOYOOLSE-CYBMUJFWSA-N 2 0 237.347 1.462 20 0 BDADRP CC(C)[NH2+]C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000178982656 134314321 /nfs/dbraw/zinc/31/43/21/134314321.db2.gz LHNOODZVFQQAQB-UHFFFAOYSA-N 3 0 239.407 1.448 20 0 BDADRP OC1(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)CCC1 ZINC000336711313 183019183 /nfs/dbraw/zinc/01/91/83/183019183.db2.gz LZVXKKAWVWOWPK-CYBMUJFWSA-N 2 0 238.375 1.319 20 0 BDADRP O=C1NCCC[C@H]1[NH2+]C[C@@H]1CCCn2ccnc21 ZINC000330045952 183026235 /nfs/dbraw/zinc/02/62/35/183026235.db2.gz IKDNZHVHEQXUCY-WDEREUQCSA-N 2 0 248.330 1.469 20 0 BDADRP OCCCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000300292154 183046692 /nfs/dbraw/zinc/04/66/92/183046692.db2.gz WNMLGVMIACJEGE-BFHYXJOUSA-N 2 0 240.391 1.659 20 0 BDADRP OCCC[N@@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000371205587 183054486 /nfs/dbraw/zinc/05/44/86/183054486.db2.gz AQHDQRXXVRQBGJ-CQSZACIVSA-N 2 0 240.391 1.567 20 0 BDADRP CCCC[C@H](COC)[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000309723342 169004290 /nfs/dbraw/zinc/00/42/90/169004290.db2.gz WYBRQDGOFMWIDQ-XQQFMLRXSA-N 2 0 228.380 1.731 20 0 BDADRP OC[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000129244652 183109028 /nfs/dbraw/zinc/10/90/28/183109028.db2.gz RQXAORMLXYMKRV-ZIAGYGMSSA-N 2 0 234.343 1.452 20 0 BDADRP O[C@@H](C[NH2+]C[C@H]1CC=CCC1)C[NH+]1CCCC1 ZINC000045629945 183179000 /nfs/dbraw/zinc/17/90/00/183179000.db2.gz ADAHVVPFFYNZNA-KBPBESRZSA-N 2 0 238.375 1.389 20 0 BDADRP CCC[N@H+](C)CC(=O)NCC(C)(C)C[NH+](C)C ZINC000358567248 169071892 /nfs/dbraw/zinc/07/18/92/169071892.db2.gz PCGPSGSNFRKIDA-UHFFFAOYSA-N 2 0 243.395 1.032 20 0 BDADRP CCC[N@H+](CC)CCN[C@@H]1C[NH+](C)C[C@@H]1C ZINC000336738998 169123425 /nfs/dbraw/zinc/12/34/25/169123425.db2.gz OQZSKHNNYMERLD-QWHCGFSZSA-N 2 0 227.396 1.258 20 0 BDADRP CCC[N@H+](CC(C)C)C[C@H](O)CN(C)C1CC1 ZINC000310240636 169106123 /nfs/dbraw/zinc/10/61/23/169106123.db2.gz CYGIOWSQVZWRKV-CQSZACIVSA-N 2 0 242.407 1.810 20 0 BDADRP CCC[N@H+](CCOCC[NH3+])C[C@H]1CCCCO1 ZINC000357087332 169168901 /nfs/dbraw/zinc/16/89/01/169168901.db2.gz MXZGPOIUZMAOAL-CYBMUJFWSA-N 2 0 244.379 1.243 20 0 BDADRP CCC[N@H+](CCOC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748473 169169193 /nfs/dbraw/zinc/16/91/93/169169193.db2.gz ZHFRHFDMAFHROB-FUNVUKJBSA-N 2 0 226.364 1.628 20 0 BDADRP CCC[NH+]1CCC([N@H+](C)CCCCCO)CC1 ZINC000304314553 169186570 /nfs/dbraw/zinc/18/65/70/169186570.db2.gz NRSPOWXYQHAHJN-UHFFFAOYSA-N 2 0 242.407 1.955 20 0 BDADRP CCC[NH+]1CCC([N@H+](C)CCOC)CC1 ZINC000109788428 169187579 /nfs/dbraw/zinc/18/75/79/169187579.db2.gz YQJVVILFEXLMTD-UHFFFAOYSA-N 2 0 214.353 1.439 20 0 BDADRP CCC[NH+]1CCC([NH2+]CC[C@@H](C)O)CC1 ZINC000082992572 169188255 /nfs/dbraw/zinc/18/82/55/169188255.db2.gz OAPDDKIXWUVEAZ-LLVKDONJSA-N 2 0 214.353 1.221 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@](C)(O)C2CC2)CC1 ZINC000310100437 169188903 /nfs/dbraw/zinc/18/89/03/169188903.db2.gz BFQFHHHOWHQSCU-AWEZNQCLSA-N 2 0 240.391 1.611 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H](CC)CO)CC1 ZINC000020194540 169189670 /nfs/dbraw/zinc/18/96/70/169189670.db2.gz SDVABVCOTZNZGD-NSHDSACASA-N 2 0 214.353 1.221 20 0 BDADRP c1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)on1 ZINC000063200571 183340343 /nfs/dbraw/zinc/34/03/43/183340343.db2.gz HBGYJBSZJNSENZ-CYBMUJFWSA-N 2 0 235.331 1.639 20 0 BDADRP CCCNC(=[NH2+])NC[C@@H](C)C[NH+]1CCCCC1 ZINC000052042977 169211078 /nfs/dbraw/zinc/21/10/78/169211078.db2.gz LKJNPRYHGUJVSE-GFCCVEGCSA-N 2 0 240.395 1.632 20 0 BDADRP CCC[C@@H]([NH3+])C(=O)Nc1ccc(C[NH3+])cc1 ZINC000295155120 169391488 /nfs/dbraw/zinc/39/14/88/169391488.db2.gz RNBCKQWMLMLHIR-LLVKDONJSA-N 2 0 221.304 1.211 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN2C)CCO1 ZINC000223045092 134336082 /nfs/dbraw/zinc/33/60/82/134336082.db2.gz NIGBRHTVYCCCQE-WOPDTQHZSA-N 2 0 212.337 1.238 20 0 BDADRP [NH3+]CCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000224130204 134342143 /nfs/dbraw/zinc/34/21/43/134342143.db2.gz ITWKJRLLQNGQDL-MELADBBJSA-N 3 0 239.407 1.626 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+]C[C@@H]2CCCOC2)CC1 ZINC000227328708 134377938 /nfs/dbraw/zinc/37/79/38/134377938.db2.gz YEWNSEMBTWKKTG-ZDUSSCGKSA-N 2 0 240.391 1.735 20 0 BDADRP CCOC1CC([NH2+]CC2(C)CC[NH+](C)CC2)C1 ZINC000227495280 134381430 /nfs/dbraw/zinc/38/14/30/134381430.db2.gz VJTAFVOZPPDRGG-UHFFFAOYSA-N 2 0 240.391 1.875 20 0 BDADRP c1ncc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)s1 ZINC000131614168 383826354 /nfs/dbraw/zinc/82/63/54/383826354.db2.gz RIBWPLMXVNDYRN-JTQLQIEISA-N 2 0 225.361 1.622 20 0 BDADRP CO[C@@H](C[NH2+]C[C@@H](C)C[NH+]1CCCC1)C1CC1 ZINC000400190175 383866166 /nfs/dbraw/zinc/86/61/66/383866166.db2.gz WCYXKMYEFKYLKA-OCCSQVGLSA-N 2 0 240.391 1.733 20 0 BDADRP CO[C@H](C[NH2+]C[C@@H](C)C[NH+]1CCCC1)C1CC1 ZINC000400190176 383867004 /nfs/dbraw/zinc/86/70/04/383867004.db2.gz WCYXKMYEFKYLKA-TZMCWYRMSA-N 2 0 240.391 1.733 20 0 BDADRP COC[C@@H]([NH2+][C@H]1CCc2nc[nH]c2C1)C(C)C ZINC000368103631 383876612 /nfs/dbraw/zinc/87/66/12/383876612.db2.gz XPSASXIQFVEYLX-GXFFZTMASA-N 2 0 237.347 1.528 20 0 BDADRP Cc1cc(NCC[N@H+]2CCCC[C@@H]2C)nc(C)n1 ZINC000338990679 383878300 /nfs/dbraw/zinc/87/83/00/383878300.db2.gz SIKUNOWXSYAUJJ-LBPRGKRZSA-N 2 0 248.374 1.802 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](C[C@@H]2CCOC2)C1 ZINC000069626594 383832963 /nfs/dbraw/zinc/83/29/63/383832963.db2.gz OLYAJENJVRUXJK-RYUDHWBXSA-N 2 0 212.337 1.084 20 0 BDADRP [NH3+]CC[C@H]1CCC[N@H+](C[C@@H]2CCOC2)C1 ZINC000069626592 383833771 /nfs/dbraw/zinc/83/37/71/383833771.db2.gz OLYAJENJVRUXJK-NEPJUHHUSA-N 2 0 212.337 1.084 20 0 BDADRP C[N@H+]1CC=C(C[NH2+]C[C@H]2CCC=CO2)CC1 ZINC000278467006 384001924 /nfs/dbraw/zinc/00/19/24/384001924.db2.gz GJLXZVWYOKWLOH-CYBMUJFWSA-N 2 0 222.332 1.531 20 0 BDADRP COC(=O)CCC[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000227734946 134386165 /nfs/dbraw/zinc/38/61/65/134386165.db2.gz DLNNWNFMWNJNEC-LLVKDONJSA-N 2 0 230.352 1.245 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](OC)C2CC2)C1 ZINC000400233467 383943710 /nfs/dbraw/zinc/94/37/10/383943710.db2.gz SXLRCJADUIIUPS-WCQYABFASA-N 2 0 226.364 1.343 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@H]1N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546758 384017294 /nfs/dbraw/zinc/01/72/94/384017294.db2.gz UNQZLSVPRYLOEF-FRRDWIJNSA-N 2 0 237.391 1.201 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCc2ccccc2O)C1 ZINC000518564396 384012002 /nfs/dbraw/zinc/01/20/02/384012002.db2.gz OCHCPCGKGAKXFA-CHWSQXEVSA-N 2 0 234.343 1.794 20 0 BDADRP CCSCC[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000163141583 384012545 /nfs/dbraw/zinc/01/25/45/384012545.db2.gz JJZAOMFPFCVFCV-NXEZZACHSA-N 2 0 202.367 1.409 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCc2ccccc2O)C1 ZINC000518564398 384013076 /nfs/dbraw/zinc/01/30/76/384013076.db2.gz OCHCPCGKGAKXFA-QWHCGFSZSA-N 2 0 234.343 1.794 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000336521413 384049939 /nfs/dbraw/zinc/04/99/39/384049939.db2.gz TUDWFBJTLPMYGU-CYBMUJFWSA-N 3 0 237.391 1.062 20 0 BDADRP C[C@@H](Cn1cccn1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000564973679 384052145 /nfs/dbraw/zinc/05/21/45/384052145.db2.gz ODTRRLXYPOUEQW-LBPRGKRZSA-N 2 0 244.342 1.520 20 0 BDADRP COCCCC[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397326257 384083307 /nfs/dbraw/zinc/08/33/07/384083307.db2.gz ORZUOLYBNOORSX-AVGNSLFASA-N 2 0 228.380 1.718 20 0 BDADRP CC(C)[NH2+]CCCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000569471699 384096717 /nfs/dbraw/zinc/09/67/17/384096717.db2.gz KTHWDAYZHLPJQW-NEPJUHHUSA-N 2 0 213.369 1.234 20 0 BDADRP Cc1noc(CCCN2CC[C@H]([NH3+])C[C@@H]2C)n1 ZINC000517754725 384097253 /nfs/dbraw/zinc/09/72/53/384097253.db2.gz FNMYCAPWGRTPLC-ONGXEEELSA-N 2 0 238.335 1.122 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCO[C@@H]1C ZINC000227833743 134390066 /nfs/dbraw/zinc/39/00/66/134390066.db2.gz YYTOYVZTUAUONB-MXWKQRLJSA-N 2 0 200.326 1.094 20 0 BDADRP C[C@@H](C[NH3+])CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000237375416 384159100 /nfs/dbraw/zinc/15/91/00/384159100.db2.gz RYDMLZGTKWVXLF-NSHDSACASA-N 2 0 249.358 1.073 20 0 BDADRP CC[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000040802603 384165198 /nfs/dbraw/zinc/16/51/98/384165198.db2.gz IIOAJCGKAXNRHC-QWHCGFSZSA-N 2 0 249.358 1.143 20 0 BDADRP C[NH+](C)C[C@@H](NC(=O)CCC[NH3+])c1ccccc1 ZINC000040809098 384165470 /nfs/dbraw/zinc/16/54/70/384165470.db2.gz ZBWMIZZDBOBILC-CYBMUJFWSA-N 2 0 249.358 1.144 20 0 BDADRP C[NH2+]C[C@@H]1CCCN1CC1(OC)CCCC1 ZINC000319218826 384214508 /nfs/dbraw/zinc/21/45/08/384214508.db2.gz SOMZCDAFKONPLG-LBPRGKRZSA-N 2 0 226.364 1.629 20 0 BDADRP C[C@@H](C[NH3+])N(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000237461019 384216673 /nfs/dbraw/zinc/21/66/73/384216673.db2.gz VQCXMESXPONEHP-NSHDSACASA-N 2 0 249.358 1.167 20 0 BDADRP CC1(C[NH2+]CC2(F)CC2)CC[NH2+]CC1 ZINC000569555511 384228854 /nfs/dbraw/zinc/22/88/54/384228854.db2.gz XFWUAEHXABGODX-UHFFFAOYSA-N 2 0 200.301 1.468 20 0 BDADRP CN(Cc1cnc2ccccn12)CC(C)(C)C[NH3+] ZINC000647505919 384276882 /nfs/dbraw/zinc/27/68/82/384276882.db2.gz QLMJZNRGAVRIGK-UHFFFAOYSA-N 2 0 246.358 1.751 20 0 BDADRP [NH3+]Cc1ccccc1OCC[C@@H]1CC[NH2+]C1 ZINC000644168580 384265738 /nfs/dbraw/zinc/26/57/38/384265738.db2.gz KFGOSKCXRRPLCF-NSHDSACASA-N 2 0 220.316 1.524 20 0 BDADRP Cc1ccc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)c(C)c1 ZINC000313343434 384274537 /nfs/dbraw/zinc/27/45/37/384274537.db2.gz BSSSAFOTJUPSIL-OAHLLOKOSA-N 2 0 248.370 1.853 20 0 BDADRP [NH3+]C[C@@H]1C[N@H+](CC2CCCC2)CCCO1 ZINC000313348364 384276804 /nfs/dbraw/zinc/27/68/04/384276804.db2.gz SWYCFTFIHCXNTC-GFCCVEGCSA-N 2 0 212.337 1.226 20 0 BDADRP CC[C@@H]([NH2+]CCN(C)CC)[C@H]1CCOC1 ZINC000158809935 384304202 /nfs/dbraw/zinc/30/42/02/384304202.db2.gz YKKNKXSCFQTKFL-NWDGAFQWSA-N 2 0 214.353 1.343 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCCOCC1 ZINC000083425556 384304321 /nfs/dbraw/zinc/30/43/21/384304321.db2.gz KDSGSYRXOVCKML-VXGBXAGGSA-N 2 0 214.353 1.485 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCC1(O)CCC1 ZINC000332469100 384316887 /nfs/dbraw/zinc/31/68/87/384316887.db2.gz MPLCQGHZNFPEMD-VXGBXAGGSA-N 2 0 226.364 1.399 20 0 BDADRP Cc1ccc(C)c(OCCN2CCC[NH2+]CC2)c1 ZINC000034977263 384292439 /nfs/dbraw/zinc/29/24/39/384292439.db2.gz OZTUTQGWDYJSPC-UHFFFAOYSA-N 2 0 248.370 1.978 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOC)[C@H](C)C1 ZINC000174782312 384365659 /nfs/dbraw/zinc/36/56/59/384365659.db2.gz JAWICQBOHYXGHG-VXGBXAGGSA-N 2 0 214.353 1.295 20 0 BDADRP C[C@H](C[NH2+][C@H]1CN(C)C[C@H]1C)CC(F)F ZINC000647226157 384375006 /nfs/dbraw/zinc/37/50/06/384375006.db2.gz WEPXWUORWPIKOQ-AEJSXWLSSA-N 2 0 220.307 1.817 20 0 BDADRP C[C@@H](CCn1cccn1)[NH2+]CCC[NH+](C)C ZINC000134628996 384371921 /nfs/dbraw/zinc/37/19/21/384371921.db2.gz PDHPIZRFQBEVHF-LBPRGKRZSA-N 2 0 224.352 1.203 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CC[C@@H](CO)C2)[C@@H](C)C1 ZINC000449430542 384395369 /nfs/dbraw/zinc/39/53/69/384395369.db2.gz XTZRRXDPPUKQCH-RFQIPJPRSA-N 2 0 240.391 1.467 20 0 BDADRP CO[C@@H](CC(C)C)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000642705284 384413915 /nfs/dbraw/zinc/41/39/15/384413915.db2.gz ILTLNBINXXMAFR-MJBXVCDLSA-N 2 0 240.391 1.541 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cccs1 ZINC000084218138 384377551 /nfs/dbraw/zinc/37/75/51/384377551.db2.gz VCYVXUYKJXNTMY-GXSJLCMTSA-N 2 0 210.346 1.965 20 0 BDADRP Cc1csc(C[NH2+]CC[C@@H]2CC[NH2+]C2)n1 ZINC000084385330 384390987 /nfs/dbraw/zinc/39/09/87/384390987.db2.gz MBYHMMIHECFSRX-JTQLQIEISA-N 2 0 225.361 1.541 20 0 BDADRP C[C@@H](CO)[N@H+](C)Cc1ccc(-n2ccnc2)cc1 ZINC000135509266 384448978 /nfs/dbraw/zinc/44/89/78/384448978.db2.gz GFLAQITVLMZHGI-LBPRGKRZSA-N 2 0 245.326 1.685 20 0 BDADRP C[C@H]1CSC[C@@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000335660322 384462026 /nfs/dbraw/zinc/46/20/26/384462026.db2.gz CRDMLIOEUPJRPY-JQWIXIFHSA-N 2 0 226.389 1.589 20 0 BDADRP CN(Cc1ccccn1)[C@H](C[NH3+])C1CC1 ZINC000036884037 384463480 /nfs/dbraw/zinc/46/34/80/384463480.db2.gz BPIZDMRUBMBZFH-GFCCVEGCSA-N 2 0 205.305 1.251 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@H](C)CCO)CC1 ZINC000085125811 384489585 /nfs/dbraw/zinc/48/95/85/384489585.db2.gz OTZHEWXHEYXTRI-LLVKDONJSA-N 2 0 214.353 1.079 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@@H](C)CCO)CC1 ZINC000085125810 384489964 /nfs/dbraw/zinc/48/99/64/384489964.db2.gz OTZHEWXHEYXTRI-NSHDSACASA-N 2 0 214.353 1.079 20 0 BDADRP COCCC[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000306055830 384531790 /nfs/dbraw/zinc/53/17/90/384531790.db2.gz UVPXWYUONKXCEG-CABCVRRESA-N 2 0 248.370 1.697 20 0 BDADRP CCCC[N@H+](C)CCNC(=O)[C@@H]([NH3+])CC(C)C ZINC000236712290 384554652 /nfs/dbraw/zinc/55/46/52/384554652.db2.gz ISWFAMIELSFRKH-LBPRGKRZSA-N 2 0 243.395 1.208 20 0 BDADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)[C@@H]2CCOC2)C1 ZINC000151103161 384540073 /nfs/dbraw/zinc/54/00/73/384540073.db2.gz VMTVFTDPBUCSTM-MELADBBJSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H]1[C@H]([NH2+]C2CCC(O)CC2)CCCN1C ZINC000309734490 384573308 /nfs/dbraw/zinc/57/33/08/384573308.db2.gz BZYJBTXFPZFWQR-YWPUVAFDSA-N 2 0 226.364 1.362 20 0 BDADRP COC(=O)[C@@H](C)C[N@H+](C)CCCn1ccnc1 ZINC000050068885 384590410 /nfs/dbraw/zinc/59/04/10/384590410.db2.gz HKBDRCUGXBWSOK-NSHDSACASA-N 2 0 239.319 1.014 20 0 BDADRP Cc1cccc(CC[NH2+][C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000423086249 384565053 /nfs/dbraw/zinc/56/50/53/384565053.db2.gz MRDATPYGRWYDGZ-OCCSQVGLSA-N 2 0 233.359 1.650 20 0 BDADRP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C1(C)CC1 ZINC000151322980 384565119 /nfs/dbraw/zinc/56/51/19/384565119.db2.gz CVXOOLNKMMOKFR-STQMWFEESA-N 2 0 240.391 1.611 20 0 BDADRP Cc1cccc(CC[NH2+][C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000423086247 384565882 /nfs/dbraw/zinc/56/58/82/384565882.db2.gz MRDATPYGRWYDGZ-GXTWGEPZSA-N 2 0 233.359 1.650 20 0 BDADRP Cc1cccc(CC[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)n1 ZINC000423085693 384566624 /nfs/dbraw/zinc/56/66/24/384566624.db2.gz LFDWMKZLRQDSCJ-IUODEOHRSA-N 2 0 247.386 1.910 20 0 BDADRP CC(C)[C@H]1C[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)CCN1 ZINC000647531655 384633225 /nfs/dbraw/zinc/63/32/25/384633225.db2.gz PBVLFSZABSQFCN-BFHYXJOUSA-N 2 0 239.407 1.304 20 0 BDADRP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)COC)C1 ZINC000176279002 384592316 /nfs/dbraw/zinc/59/23/16/384592316.db2.gz SEYQZIOBZCKIPZ-STQMWFEESA-N 2 0 228.380 1.685 20 0 BDADRP COCC[C@H]1CCC[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000564822289 384636382 /nfs/dbraw/zinc/63/63/82/384636382.db2.gz KITZHAOGVKDEKY-ZIAGYGMSSA-N 2 0 240.391 1.781 20 0 BDADRP CN1CCC[C@H]1C[NH2+][C@H]1CCOC1(C)C ZINC000335919967 384710187 /nfs/dbraw/zinc/71/01/87/384710187.db2.gz LNVHTKBRACTAIQ-QWRGUYRKSA-N 2 0 212.337 1.238 20 0 BDADRP CC(C)(N)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543198 384712921 /nfs/dbraw/zinc/71/29/21/384712921.db2.gz JFLKSSPHNLVXEF-OLZOCXBDSA-N 2 0 239.407 1.435 20 0 BDADRP CCC[C@H](CCO)C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000300376597 384715084 /nfs/dbraw/zinc/71/50/84/384715084.db2.gz LWYXLIKNPJKLRU-FRRDWIJNSA-N 2 0 228.380 1.502 20 0 BDADRP c1nc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)co1 ZINC000647544002 384716080 /nfs/dbraw/zinc/71/60/80/384716080.db2.gz VJQODPSQXJMBDM-OLZOCXBDSA-N 2 0 249.358 1.886 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@@H]1CCCC(F)(F)[C@H]1O ZINC000423182969 384719412 /nfs/dbraw/zinc/71/94/12/384719412.db2.gz MDDODENHYHIVBM-KYXWUPHJSA-N 2 0 236.306 1.251 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@H]1C[NH2+]C[C@@H](C)C1 ZINC000647546436 384729078 /nfs/dbraw/zinc/72/90/78/384729078.db2.gz KEONGSRUONHBML-QJPTWQEYSA-N 2 0 213.369 1.092 20 0 BDADRP CCC([NH3+])(CC)CN[C@H]1C[NH2+]C[C@H](C)C1 ZINC000647546156 384729514 /nfs/dbraw/zinc/72/95/14/384729514.db2.gz BMOMFCAXFYFBLK-GHMZBOCLSA-N 2 0 213.369 1.092 20 0 BDADRP FCCCCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000308452458 384729629 /nfs/dbraw/zinc/72/96/29/384729629.db2.gz CRYZBEVTHKMDRK-PHIMTYICSA-N 2 0 200.301 1.277 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000647546437 384731311 /nfs/dbraw/zinc/73/13/11/384731311.db2.gz KEONGSRUONHBML-TUAOUCFPSA-N 2 0 213.369 1.092 20 0 BDADRP CCCC[C@H](CN)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647546748 384734762 /nfs/dbraw/zinc/73/47/62/384734762.db2.gz ZZVTWTYCLPRHCY-IGQOVBAYSA-N 2 0 239.407 1.482 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](N[C@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC000647548118 384750506 /nfs/dbraw/zinc/75/05/06/384750506.db2.gz VVLRCEOPROQVAS-RWMBFGLXSA-N 2 0 237.391 1.249 20 0 BDADRP COc1ccsc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000647552539 384761974 /nfs/dbraw/zinc/76/19/74/384761974.db2.gz FYFQPUXOHVKEBY-BDAKNGLRSA-N 2 0 228.361 1.972 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cnc2ccccn12 ZINC000647552483 384762533 /nfs/dbraw/zinc/76/25/33/384762533.db2.gz AYYKXYARLZRLIU-GHMZBOCLSA-N 2 0 232.331 1.550 20 0 BDADRP CC(=O)Nc1ccccc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000647552822 384762824 /nfs/dbraw/zinc/76/28/24/384762824.db2.gz ZAUFGCHVXIRPSS-WDEREUQCSA-N 2 0 249.358 1.860 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@H](C)COC ZINC000053172272 384767110 /nfs/dbraw/zinc/76/71/10/384767110.db2.gz UFHIWULLSXGVSP-LLVKDONJSA-N 2 0 202.342 1.343 20 0 BDADRP C[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000647553667 384768553 /nfs/dbraw/zinc/76/85/53/384768553.db2.gz GQUJKXPNVNAOBV-GRYCIOLGSA-N 2 0 208.349 1.907 20 0 BDADRP C(N[C@H]1CC[NH2+]C12CCCC2)[C@@H]1CCC[NH2+]C1 ZINC000647554139 384772409 /nfs/dbraw/zinc/77/24/09/384772409.db2.gz RXCITKJGTRKNCE-OLZOCXBDSA-N 2 0 237.391 1.250 20 0 BDADRP CCO[C@@H]1C[C@H]([N@H+](C)CCOCC[NH3+])C1(C)C ZINC000357103675 384819053 /nfs/dbraw/zinc/81/90/53/384819053.db2.gz KOEDLGSUYIDHJE-NWDGAFQWSA-N 2 0 244.379 1.097 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2C[NH3+])O1 ZINC000398163901 384823370 /nfs/dbraw/zinc/82/33/70/384823370.db2.gz LTAYRMMKXPPLGP-WRWGMCAJSA-N 2 0 212.337 1.271 20 0 BDADRP CC(C)[C@@H]1CC[C@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000423351311 384823551 /nfs/dbraw/zinc/82/35/51/384823551.db2.gz HXIPFEWYFVREHA-QWHCGFSZSA-N 2 0 208.349 1.930 20 0 BDADRP CC[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])OC ZINC000308577084 384826228 /nfs/dbraw/zinc/82/62/28/384826228.db2.gz NFLYLGPVQCONKN-MXWKQRLJSA-N 2 0 200.326 1.128 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C[C@@H]1CC[C@@H](C)O1 ZINC000398179711 384831212 /nfs/dbraw/zinc/83/12/12/384831212.db2.gz SBKFKQLHCZBTJM-NDBYEHHHSA-N 2 0 226.364 1.674 20 0 BDADRP CCSCCN(C)[C@@H](C[NH3+])C1CC1 ZINC000126716757 384794022 /nfs/dbraw/zinc/79/40/22/384794022.db2.gz UXFXGPXLWWQOKO-JTQLQIEISA-N 2 0 202.367 1.409 20 0 BDADRP COC[C@@H]([NH2+]CCCC[NH+](C)C)C(C)C ZINC000087479968 384796758 /nfs/dbraw/zinc/79/67/58/384796758.db2.gz WKMVQORJSQAGDG-GFCCVEGCSA-N 2 0 216.369 1.589 20 0 BDADRP CN(CCC(F)(F)F)[C@H](C[NH3+])C1CC1 ZINC000126751863 384800783 /nfs/dbraw/zinc/80/07/83/384800783.db2.gz YWKLJYDAUOWNQI-MRVPVSSYSA-N 2 0 210.243 1.608 20 0 BDADRP C[C@H](C[NH3+])N[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000423329115 384805297 /nfs/dbraw/zinc/80/52/97/384805297.db2.gz ONTCNTMWCFBINT-SNPRPXQTSA-N 2 0 247.386 1.759 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCSC1 ZINC000220677251 384873627 /nfs/dbraw/zinc/87/36/27/384873627.db2.gz SDAYOXYNBIWXAI-AXFHLTTASA-N 2 0 214.378 1.599 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCSC1 ZINC000308643332 384884938 /nfs/dbraw/zinc/88/49/38/384884938.db2.gz FHKNBTYLAFCHPO-GHMZBOCLSA-N 2 0 216.394 1.847 20 0 BDADRP C[N@@H+]1CCCC12CCN(C[C@@H]1CCCO1)CC2 ZINC000336235491 384838373 /nfs/dbraw/zinc/83/83/73/384838373.db2.gz RZWOEAAPNFZCCF-ZDUSSCGKSA-N 2 0 238.375 1.726 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1NCC1([NH3+])CCCCCC1 ZINC000335060717 384841181 /nfs/dbraw/zinc/84/11/81/384841181.db2.gz QQBUFYKJLPUZBH-VXGBXAGGSA-N 2 0 225.380 1.508 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)C1(C)CC1 ZINC000151865196 384850280 /nfs/dbraw/zinc/85/02/80/384850280.db2.gz FYNRXLUKKWIVFG-LBPRGKRZSA-N 2 0 240.391 1.469 20 0 BDADRP COCCC[C@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000423389236 384853779 /nfs/dbraw/zinc/85/37/79/384853779.db2.gz ODIAJXXWABMVJB-SRVKXCTJSA-N 2 0 214.353 1.661 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000423398878 384854006 /nfs/dbraw/zinc/85/40/06/384854006.db2.gz PCRXSMZIEMODMQ-LPTSXCQYSA-N 2 0 208.349 1.763 20 0 BDADRP COC[C@]1(C[NH2+][C@H]2CC[C@H]2C(C)C)CCC[NH2+]1 ZINC000423410267 384855928 /nfs/dbraw/zinc/85/59/28/384855928.db2.gz CXGAIQPDWPYKSN-MELADBBJSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](CO)Cc1ccccc1 ZINC000310166606 384869748 /nfs/dbraw/zinc/86/97/48/384869748.db2.gz RYHOURTXXYBSPX-GXTWGEPZSA-N 2 0 236.359 1.307 20 0 BDADRP c1csc(C[NH2+]CCCN2CC[NH2+]CC2)c1 ZINC000258842545 384949261 /nfs/dbraw/zinc/94/92/61/384949261.db2.gz CMTKJRBOCSQPED-UHFFFAOYSA-N 2 0 239.388 1.133 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCc1ccc(F)cc1 ZINC000259039886 384951950 /nfs/dbraw/zinc/95/19/50/384951950.db2.gz PEUFZFDJGKVHHZ-OLZOCXBDSA-N 2 0 222.307 1.838 20 0 BDADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000647200903 384891482 /nfs/dbraw/zinc/89/14/82/384891482.db2.gz MIKXSZJMLOTYQU-STQMWFEESA-N 2 0 244.379 1.112 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](C)N(C)C ZINC000308646282 384897062 /nfs/dbraw/zinc/89/70/62/384897062.db2.gz HOLBLHBXBFHANK-MNOVXSKESA-N 2 0 201.358 1.044 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2(C[NH+](C)C)CCCC2)CO1 ZINC000647202330 384901481 /nfs/dbraw/zinc/90/14/81/384901481.db2.gz UTJPLJWCMZFPRH-CHWSQXEVSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC2(C[NH+](C)C)CCCC2)CO1 ZINC000647202333 384902443 /nfs/dbraw/zinc/90/24/43/384902443.db2.gz UTJPLJWCMZFPRH-STQMWFEESA-N 2 0 240.391 1.875 20 0 BDADRP C[C@]1(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)CCCO1 ZINC000087234356 384903198 /nfs/dbraw/zinc/90/31/98/384903198.db2.gz CKMHLUWMJCHBIM-SDDRHHMPSA-N 2 0 212.337 1.415 20 0 BDADRP Cc1ccc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)nc1 ZINC000156600301 384904897 /nfs/dbraw/zinc/90/48/97/384904897.db2.gz AHPGTKFGQKDJNP-ZDUSSCGKSA-N 2 0 233.359 1.951 20 0 BDADRP CC(C)[C@H]1C[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)CCO1 ZINC000310238946 384922846 /nfs/dbraw/zinc/92/28/46/384922846.db2.gz LFJCDPTYELTWFZ-MGPQQGTHSA-N 2 0 242.407 1.977 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1=CC[NH+](C)CC1 ZINC000336145833 384924441 /nfs/dbraw/zinc/92/44/41/384924441.db2.gz NKWMORNLNRXPAB-TZMCWYRMSA-N 3 0 237.391 1.178 20 0 BDADRP C[C@H](O)C[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000644522503 384926350 /nfs/dbraw/zinc/92/63/50/384926350.db2.gz JGLUUDJZKLCORA-ZDUSSCGKSA-N 2 0 228.380 1.469 20 0 BDADRP C[NH2+]CCCN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000257770775 384929359 /nfs/dbraw/zinc/92/93/59/384929359.db2.gz KVRUWGSAUCPBGC-CQSZACIVSA-N 2 0 239.407 1.546 20 0 BDADRP C[C@H](C[NH2+][C@H]1CCOC2(CCC2)C1)C[NH+](C)C ZINC000310268679 384933779 /nfs/dbraw/zinc/93/37/79/384933779.db2.gz SBXYUCHXDWQSPT-OLZOCXBDSA-N 2 0 240.391 1.875 20 0 BDADRP COc1cccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)c1 ZINC000258886050 384943389 /nfs/dbraw/zinc/94/33/89/384943389.db2.gz CCAPWOPLMRGIKD-LBPRGKRZSA-N 2 0 234.343 1.784 20 0 BDADRP COC[C@@H]1CCCC[N@H+](CCn2ccnc2)C1 ZINC000364125189 385021227 /nfs/dbraw/zinc/02/12/27/385021227.db2.gz IMQWNHMMXOMRCT-CYBMUJFWSA-N 2 0 237.347 1.632 20 0 BDADRP Cc1cc(C[NH2+]CC2=CC[N@H+](C)CC2)sn1 ZINC000404405115 384976687 /nfs/dbraw/zinc/97/66/87/384976687.db2.gz CMXKEQAKHFNNFA-UHFFFAOYSA-N 2 0 237.372 1.803 20 0 BDADRP C[C@H](C[NH2+][C@H](C)[C@H]1CCCO1)C[NH+]1CCCC1 ZINC000310341337 384992641 /nfs/dbraw/zinc/99/26/41/384992641.db2.gz MTOQQUSCADXTHP-MGPQQGTHSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C)[C@H](C)C2)CO1 ZINC000401870428 384995606 /nfs/dbraw/zinc/99/56/06/384995606.db2.gz BOJCYLBFUMJNOH-WYUUTHIRSA-N 2 0 212.337 1.236 20 0 BDADRP CC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000644603631 384997043 /nfs/dbraw/zinc/99/70/43/384997043.db2.gz JHANKDQCOYSKHP-UONOGXRCSA-N 2 0 242.407 1.715 20 0 BDADRP C([NH2+][C@H]1CC[C@H]1C1CC1)[C@H]1C[NH2+]CCCO1 ZINC000423491435 384999130 /nfs/dbraw/zinc/99/91/30/384999130.db2.gz JQYDPOXPUSZLQU-AGIUHOORSA-N 2 0 224.348 1.143 20 0 BDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)[NH+](C)C ZINC000644600964 385003872 /nfs/dbraw/zinc/00/38/72/385003872.db2.gz FVBRQLAAYHTNMR-NEPJUHHUSA-N 2 0 243.395 1.173 20 0 BDADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)C[C@H]1CCC[NH+](C)C1 ZINC000259128597 384961772 /nfs/dbraw/zinc/96/17/72/384961772.db2.gz WMUPMUNUZQPUTQ-KBPBESRZSA-N 3 0 239.407 1.260 20 0 BDADRP FC1(F)CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000259517703 384962536 /nfs/dbraw/zinc/96/25/36/384962536.db2.gz PJQGLQJREKSPPL-SNVBAGLBSA-N 2 0 218.291 1.717 20 0 BDADRP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C1(C)C)c1ccncc1 ZINC000404768029 385055870 /nfs/dbraw/zinc/05/58/70/385055870.db2.gz HVOCNDVDBXUMRI-DLOVCJGASA-N 2 0 219.332 1.858 20 0 BDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCc1cccnc1 ZINC000404779044 385056382 /nfs/dbraw/zinc/05/63/82/385056382.db2.gz MMTLHIAGJGTHDP-RYUDHWBXSA-N 2 0 219.332 1.340 20 0 BDADRP C[C@@H](O)C[NH2+]CCCCC[NH+]1CCCC1 ZINC000644654356 385061080 /nfs/dbraw/zinc/06/10/80/385061080.db2.gz GMYSHHPOUGCFIP-GFCCVEGCSA-N 2 0 214.353 1.223 20 0 BDADRP CC1(C)[C@H]([NH2+]CC2CCOCC2)C[C@@H]1[NH3+] ZINC000404799793 385072949 /nfs/dbraw/zinc/07/29/49/385072949.db2.gz KFGISAPRDJWPJR-WDEREUQCSA-N 2 0 212.337 1.128 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]CC2(C)COC2)C1 ZINC000336678667 385073735 /nfs/dbraw/zinc/07/37/35/385073735.db2.gz BYQDXTXHYWMFDI-NWDGAFQWSA-N 2 0 226.364 1.485 20 0 BDADRP CN(C[C@@H](O)C[N@H+](C)CC(C)(C)C)C1CC1 ZINC000309438632 385079491 /nfs/dbraw/zinc/07/94/91/385079491.db2.gz NOECAHGGAVOSGL-LBPRGKRZSA-N 2 0 228.380 1.419 20 0 BDADRP CCn1nccc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000157120498 385082222 /nfs/dbraw/zinc/08/22/22/385082222.db2.gz JBSDDOPVLWJQGE-YUTCNCBUSA-N 2 0 248.374 1.462 20 0 BDADRP CC1([NH3+])CCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000646991630 385125220 /nfs/dbraw/zinc/12/52/20/385125220.db2.gz IIMWBDDXYXFVFE-UHFFFAOYSA-N 2 0 247.342 1.099 20 0 BDADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000310484195 385088474 /nfs/dbraw/zinc/08/84/74/385088474.db2.gz FNNDGLRCYPXTPK-STQMWFEESA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)OCCC[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000404837645 385096400 /nfs/dbraw/zinc/09/64/00/385096400.db2.gz APWGEORPXGEIEA-WDEREUQCSA-N 2 0 214.353 1.517 20 0 BDADRP CC(C)OCCC[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000404837642 385096541 /nfs/dbraw/zinc/09/65/41/385096541.db2.gz APWGEORPXGEIEA-GHMZBOCLSA-N 2 0 214.353 1.517 20 0 BDADRP CC(C)COCC[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000404836770 385097394 /nfs/dbraw/zinc/09/73/94/385097394.db2.gz AKQMSWIUAOJLRI-GHMZBOCLSA-N 2 0 214.353 1.374 20 0 BDADRP CC[NH2+]CCCN[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000518753914 385106138 /nfs/dbraw/zinc/10/61/38/385106138.db2.gz WUYHYCBTCWGOLK-OLZOCXBDSA-N 2 0 227.396 1.306 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@H](C)C[C@@H](C)[NH3+] ZINC000422710489 385193665 /nfs/dbraw/zinc/19/36/65/385193665.db2.gz FXRATIZSCSLZHE-UTUOFQBUSA-N 2 0 215.385 1.432 20 0 BDADRP CC1(C)COC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000313014943 385148870 /nfs/dbraw/zinc/14/88/70/385148870.db2.gz WZUUOYDAZPPBIS-AGIUHOORSA-N 2 0 238.375 1.628 20 0 BDADRP CC1(C)COC[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000313015051 385152559 /nfs/dbraw/zinc/15/25/59/385152559.db2.gz XIERRFYCDIXSRX-ZDUSSCGKSA-N 2 0 240.391 1.877 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000227608488 385171025 /nfs/dbraw/zinc/17/10/25/385171025.db2.gz UOKFLBPNPGMUNE-RQJABVFESA-N 2 0 240.391 1.645 20 0 BDADRP Cc1noc(C)c1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000110644265 385173534 /nfs/dbraw/zinc/17/35/34/385173534.db2.gz HOCDQCKICOIWGC-VIFPVBQESA-N 2 0 237.347 1.851 20 0 BDADRP C[C@H](O)CCC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000308813281 385180152 /nfs/dbraw/zinc/18/01/52/385180152.db2.gz AIOOFLIMYWNIEI-SDDRHHMPSA-N 2 0 214.353 1.077 20 0 BDADRP C(C1CCOCC1)[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647483098 385207941 /nfs/dbraw/zinc/20/79/41/385207941.db2.gz YYSJBLSVODVYLD-UHFFFAOYSA-N 2 0 238.375 1.629 20 0 BDADRP CC(C)C[C@H]([NH3+])CN(C1CC1)C1CC[NH2+]CC1 ZINC000647482563 385209504 /nfs/dbraw/zinc/20/95/04/385209504.db2.gz POVYXBXQRDDKNO-LBPRGKRZSA-N 2 0 239.407 1.576 20 0 BDADRP CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H](C)[NH3+])c1 ZINC000165953763 385211293 /nfs/dbraw/zinc/21/12/93/385211293.db2.gz QHCXMEOCGUUYGZ-LLVKDONJSA-N 2 0 249.358 1.102 20 0 BDADRP C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CCCC[NH2+]1 ZINC000333342318 385252042 /nfs/dbraw/zinc/25/20/42/385252042.db2.gz YJSAPJLKDFNBFJ-WUHRBBMRSA-N 2 0 225.380 1.377 20 0 BDADRP C[NH2+][C@H](C)Cc1noc(-c2ccc(C[NH3+])cc2)n1 ZINC000647142084 385292535 /nfs/dbraw/zinc/29/25/35/385292535.db2.gz VOVUAEQHSXRAHH-SECBINFHSA-N 2 0 246.314 1.346 20 0 BDADRP CC(C)(C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000300233810 385298853 /nfs/dbraw/zinc/29/88/53/385298853.db2.gz RQUBEKBRZFNOQO-SDDRHHMPSA-N 2 0 228.380 1.501 20 0 BDADRP CC(C)(C)C[C@H](O)C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000300233811 385299841 /nfs/dbraw/zinc/29/98/41/385299841.db2.gz RQUBEKBRZFNOQO-SRVKXCTJSA-N 2 0 228.380 1.501 20 0 BDADRP COCC[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC000191977753 385339165 /nfs/dbraw/zinc/33/91/65/385339165.db2.gz BLFUEYVYTABPCY-UHFFFAOYSA-N 2 0 235.331 1.158 20 0 BDADRP C[NH+](C)C1(CN[C@@H]2CCC[NH2+]CC2)CCC1 ZINC000165185819 385359886 /nfs/dbraw/zinc/35/98/86/385359886.db2.gz NHAPVHNYYNUBSK-GFCCVEGCSA-N 2 0 225.380 1.202 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(N)nc2)C1 ZINC000647496550 385390141 /nfs/dbraw/zinc/39/01/41/385390141.db2.gz SXPLKBWGRFSJQX-ZYHUDNBSSA-N 2 0 234.347 1.053 20 0 BDADRP C[NH+]1CCC[C@H]1CCN1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000644736031 385370616 /nfs/dbraw/zinc/37/06/16/385370616.db2.gz HQXNIVBQIYDOBU-IHRRRGAJSA-N 2 0 237.391 1.107 20 0 BDADRP C[C@@H]([NH2+]CCCC[NH+](C)C)[C@H]1CCCO1 ZINC000309031286 385379060 /nfs/dbraw/zinc/37/90/60/385379060.db2.gz BTZLTQXNNAANBC-VXGBXAGGSA-N 2 0 214.353 1.485 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CC[C@H]1[NH3+] ZINC000647497723 385407796 /nfs/dbraw/zinc/40/77/96/385407796.db2.gz SNSADKUQHBWWJJ-AAVRWANBSA-N 3 0 239.407 1.434 20 0 BDADRP CC[C@@H]1CN(C[C@]2(C)CC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000647497753 385408582 /nfs/dbraw/zinc/40/85/82/385408582.db2.gz TWWPKRWLCFMVOE-FRRDWIJNSA-N 2 0 225.380 1.045 20 0 BDADRP CC[C@@H]1CN(Cc2n[nH]cc2C)CC[C@@H]1[NH3+] ZINC000647497502 385410228 /nfs/dbraw/zinc/41/02/28/385410228.db2.gz JOXNAOWBYQXPLZ-MNOVXSKESA-N 2 0 222.336 1.277 20 0 BDADRP CC[C@H]1C[N@H+](Cc2c(C)n[nH]c2C)CC[C@@H]1[NH3+] ZINC000647498207 385414800 /nfs/dbraw/zinc/41/48/00/385414800.db2.gz CPAZUZDFDUGZEU-AAEUAGOBSA-N 2 0 236.363 1.586 20 0 BDADRP C[C@@H]1C[C@H]1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000309141591 385433434 /nfs/dbraw/zinc/43/34/34/385433434.db2.gz TYPJUCIIGDKYEH-UTUOFQBUSA-N 2 0 208.349 1.716 20 0 BDADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](C)OC)C1 ZINC000182210945 385433462 /nfs/dbraw/zinc/43/34/62/385433462.db2.gz YVCLAIWCYXRMDC-OLZOCXBDSA-N 2 0 228.380 1.685 20 0 BDADRP CC(C)CCOCC[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000405315203 385482872 /nfs/dbraw/zinc/48/28/72/385482872.db2.gz OYJSJGZANMMTTF-NWDGAFQWSA-N 2 0 228.380 1.765 20 0 BDADRP Cn1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000257660806 385487006 /nfs/dbraw/zinc/48/70/06/385487006.db2.gz GFHLCVYRCZBDON-CYBMUJFWSA-N 2 0 219.332 1.211 20 0 BDADRP C([C@@H]1CCCCO1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257705476 385490653 /nfs/dbraw/zinc/49/06/53/385490653.db2.gz RCVVBISYTBQCNZ-QWHCGFSZSA-N 2 0 224.348 1.241 20 0 BDADRP CC[NH+](CC)CCCN[C@H]1C[C@H]([NH3+])C1(C)C ZINC000405329436 385490984 /nfs/dbraw/zinc/49/09/84/385490984.db2.gz WABAAUCOWMLPEE-RYUDHWBXSA-N 2 0 227.396 1.434 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+][C@H](C)CCCC[NH3+])C1(C)C ZINC000309378302 385558204 /nfs/dbraw/zinc/55/82/04/385558204.db2.gz QOWZSHGHFWLKBY-GRYCIOLGSA-N 2 0 228.380 1.907 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CC1CC[NH+](C)CC1 ZINC000309402155 385571620 /nfs/dbraw/zinc/57/16/20/385571620.db2.gz UJGRCGACNLTNFI-GFCCVEGCSA-N 3 0 227.396 1.435 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@H](CO)c1ccccc1 ZINC000309440222 385582575 /nfs/dbraw/zinc/58/25/75/385582575.db2.gz NWJKXPRWMWNWPL-WCQYABFASA-N 2 0 222.332 1.437 20 0 BDADRP CS[C@@H](C)C[NH2+][C@H](C)CCCC[NH3+] ZINC000308133940 385618848 /nfs/dbraw/zinc/61/88/48/385618848.db2.gz MMJKJABAYMTWNF-ZJUUUORDSA-N 2 0 204.383 1.845 20 0 BDADRP CCCCOCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000082645434 385625265 /nfs/dbraw/zinc/62/52/65/385625265.db2.gz IDMIUYIQHQEQPD-CHWSQXEVSA-N 2 0 228.380 1.862 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC2CCOCC2)C1 ZINC000082645561 385626618 /nfs/dbraw/zinc/62/66/18/385626618.db2.gz HZUHCUBNNLRXTF-DGCLKSJQSA-N 2 0 226.364 1.472 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000414849730 385630343 /nfs/dbraw/zinc/63/03/43/385630343.db2.gz YKXYKUHZWOJUTL-JTQLQIEISA-N 2 0 232.331 1.508 20 0 BDADRP C[C@H]([NH2+]Cc1cccnc1)[C@@H]1CCC[NH2+]C1 ZINC000414850117 385630715 /nfs/dbraw/zinc/63/07/15/385630715.db2.gz HQLREJIQJDKYRL-WCQYABFASA-N 2 0 219.332 1.559 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](CCCCCF)C1 ZINC000336681933 385637847 /nfs/dbraw/zinc/63/78/47/385637847.db2.gz HUPLCGRLVFLPMU-LLVKDONJSA-N 2 0 202.317 1.797 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CCCOC)[C@@H](C)C1 ZINC000221701901 385689620 /nfs/dbraw/zinc/68/96/20/385689620.db2.gz WOICKGYDXCLTFQ-RYUDHWBXSA-N 2 0 214.353 1.343 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCCO1 ZINC000336687728 385705163 /nfs/dbraw/zinc/70/51/63/385705163.db2.gz GRXXTLVGJNRQSZ-OUCADQQQSA-N 2 0 238.375 1.628 20 0 BDADRP Cc1ccsc1C[N@@H+](C)C1CC([NH3+])C1 ZINC000307590077 385709200 /nfs/dbraw/zinc/70/92/00/385709200.db2.gz BKQZJJDSGQZONA-UHFFFAOYSA-N 2 0 210.346 1.978 20 0 BDADRP COCC1([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647791732 385669532 /nfs/dbraw/zinc/66/95/32/385669532.db2.gz LLSYSJCOVDETPF-GRYCIOLGSA-N 2 0 224.348 1.143 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@](C)(O)C1CC1 ZINC000336684215 385671442 /nfs/dbraw/zinc/67/14/42/385671442.db2.gz KFEZIWSGZXFCLH-JQWIXIFHSA-N 2 0 214.353 1.255 20 0 BDADRP CCC(O)(CC)C[NH2+][C@H](C)CCC[NH3+] ZINC000336691125 385727647 /nfs/dbraw/zinc/72/76/47/385727647.db2.gz PDVFBRFHBFOTOG-SNVBAGLBSA-N 2 0 202.342 1.255 20 0 BDADRP C[N@H+](CCCn1ccnc1)[C@H]1CCSC1 ZINC000183065638 385734978 /nfs/dbraw/zinc/73/49/78/385734978.db2.gz OTLWFEIYLLXAEB-NSHDSACASA-N 2 0 225.361 1.711 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@](C)(O)C2CC2)CN1C1CC1 ZINC000336693974 385741479 /nfs/dbraw/zinc/74/14/79/385741479.db2.gz ICFHWPWITUKGIC-OSMZGAPFSA-N 2 0 238.375 1.362 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCCSC1 ZINC000336698453 385752882 /nfs/dbraw/zinc/75/28/82/385752882.db2.gz VLXVMOPUVRSMNC-WDEREUQCSA-N 2 0 216.394 1.989 20 0 BDADRP COc1cc(C)nc(CN[C@@H]2CCC[NH2+]C2)c1 ZINC000414863367 385758991 /nfs/dbraw/zinc/75/89/91/385758991.db2.gz IOKSGJWZXKWZQB-LLVKDONJSA-N 2 0 235.331 1.240 20 0 BDADRP C[C@H](CO)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000336737171 385761164 /nfs/dbraw/zinc/76/11/64/385761164.db2.gz JFCUVJCDLZKWNK-RVMXOQNASA-N 2 0 226.364 1.077 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000336704234 385785395 /nfs/dbraw/zinc/78/53/95/385785395.db2.gz QMYRHPLZCISTIK-VWYCJHECSA-N 2 0 214.353 1.253 20 0 BDADRP C[C@@H](CN(C)Cc1ccccc1)[NH2+][C@@H]1CCOC1 ZINC000309697626 385798114 /nfs/dbraw/zinc/79/81/14/385798114.db2.gz FMRNHHSWHYEAMR-DZGCQCFKSA-N 2 0 248.370 1.885 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCC(C)(F)F ZINC000394867174 385806167 /nfs/dbraw/zinc/80/61/67/385806167.db2.gz DCSRVYIDGBWYKE-UWVGGRQHSA-N 2 0 220.307 1.962 20 0 BDADRP CS[C@H](CO)[C@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000336715564 385811293 /nfs/dbraw/zinc/81/12/93/385811293.db2.gz WUDOUPMWOBYVOT-OUAUKWLOSA-N 2 0 234.409 1.206 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414951276 385822132 /nfs/dbraw/zinc/82/21/32/385822132.db2.gz PMXBMYWCOZKXDG-FVCCEPFGSA-N 2 0 225.380 1.247 20 0 BDADRP CO[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000226436327 385822427 /nfs/dbraw/zinc/82/24/27/385822427.db2.gz NPYMQABCVAGCPJ-LBPRGKRZSA-N 2 0 212.337 1.097 20 0 BDADRP C[NH2+][C@H](C)CNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000261681363 385826686 /nfs/dbraw/zinc/82/66/86/385826686.db2.gz HOGBHBHQTYRSJS-MDZLAQPJSA-N 2 0 249.358 1.047 20 0 BDADRP C[C@H]1CCCC[C@H]1C[NH2+]CCN1CC[NH2+]CC1 ZINC000414869557 385837467 /nfs/dbraw/zinc/83/74/67/385837467.db2.gz RFIDAYKAWVXBPA-KBPBESRZSA-N 2 0 239.407 1.308 20 0 BDADRP CO[C@H](C[NH3+])CC(=O)Nc1ccc(C)nc1C ZINC000232122865 385837603 /nfs/dbraw/zinc/83/76/03/385837603.db2.gz IUTDRNNQYHHVPZ-JTQLQIEISA-N 2 0 237.303 1.001 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000647804001 385841574 /nfs/dbraw/zinc/84/15/74/385841574.db2.gz HLMUSQZWBCTQQN-GAURVVSWSA-N 2 0 238.375 1.517 20 0 BDADRP C[C@H](C[NH2+][C@H](C)[C@H]1CCCO1)C[NH+](C)C ZINC000336706844 385793908 /nfs/dbraw/zinc/79/39/08/385793908.db2.gz ROIXCXGSXWIGTA-IJLUTSLNSA-N 2 0 214.353 1.341 20 0 BDADRP CO[C@H](C)CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000336656790 385794196 /nfs/dbraw/zinc/79/41/96/385794196.db2.gz MCIMHNARHSTRLR-SYQHCUMBSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)[C@H]1CCCO1)C[NH+](C)C ZINC000336706843 385794403 /nfs/dbraw/zinc/79/44/03/385794403.db2.gz ROIXCXGSXWIGTA-GRYCIOLGSA-N 2 0 214.353 1.341 20 0 BDADRP C[C@H](F)CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647798245 385794801 /nfs/dbraw/zinc/79/48/01/385794801.db2.gz NNEMGWJDQKWUIR-WHOHXGKFSA-N 2 0 214.328 1.712 20 0 BDADRP Cc1noc([C@H](C)N2CCC([C@@H](C)[NH3+])CC2)n1 ZINC000647832471 385883802 /nfs/dbraw/zinc/88/38/02/385883802.db2.gz KQTXERKGICJQIO-BDAKNGLRSA-N 2 0 238.335 1.498 20 0 BDADRP Cc1ncsc1C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000335037205 385928688 /nfs/dbraw/zinc/92/86/88/385928688.db2.gz BAALJJWNPQJGRP-MWLCHTKSSA-N 2 0 239.388 1.929 20 0 BDADRP CC1(C)CCC([NH2+]CCN2CC[NH2+]CC2)CC1 ZINC000414875199 385893471 /nfs/dbraw/zinc/89/34/71/385893471.db2.gz ZVUKFAWKWXEVHF-UHFFFAOYSA-N 2 0 239.407 1.450 20 0 BDADRP CC1(C)C[NH2+]CCN1CCCC1CC[NH2+]CC1 ZINC000647852843 385905534 /nfs/dbraw/zinc/90/55/34/385905534.db2.gz GLSZVIVRIXLQFA-UHFFFAOYSA-N 2 0 239.407 1.450 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000336741739 385908092 /nfs/dbraw/zinc/90/80/92/385908092.db2.gz NLSXHWSYAZHCBI-RWMBFGLXSA-N 2 0 228.380 1.325 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000414877733 385929652 /nfs/dbraw/zinc/92/96/52/385929652.db2.gz NDAJTKREWLJPJN-LBPRGKRZSA-N 2 0 244.342 1.557 20 0 BDADRP Cc1nc2ccccn2c1C[NH2+]C[C@H](C)C[NH3+] ZINC000414877329 385920546 /nfs/dbraw/zinc/92/05/46/385920546.db2.gz MKTDXSNHFLHSKR-SNVBAGLBSA-N 2 0 232.331 1.327 20 0 BDADRP COc1ccc(C[NH2+]C[C@@H](C)C[NH3+])cc1O ZINC000414877354 385921176 /nfs/dbraw/zinc/92/11/76/385921176.db2.gz MPXCURXWDKRIMB-VIFPVBQESA-N 2 0 224.304 1.085 20 0 BDADRP Cc1ccc(O)c(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)n1 ZINC000414966881 385924238 /nfs/dbraw/zinc/92/42/38/385924238.db2.gz WQXBXNQLGAIMEH-ONGXEEELSA-N 2 0 235.331 1.183 20 0 BDADRP C[C@@]1(CN2CC[N@@H+]3CCCC[C@H]3C2)CC[NH2+]C1 ZINC000250815483 385927191 /nfs/dbraw/zinc/92/71/91/385927191.db2.gz WVLSQKIHKONWAE-UONOGXRCSA-N 2 0 237.391 1.156 20 0 BDADRP C[C@H](C(=O)NCC(C)(C)[NH3+])[C@@H]([NH3+])c1ccccc1 ZINC000262651032 385870405 /nfs/dbraw/zinc/87/04/05/385870405.db2.gz VGXPHAQGIJWXOT-CMPLNLGQSA-N 2 0 249.358 1.176 20 0 BDADRP C[C@H]([NH2+]CCn1ccnc1)c1ccncc1F ZINC000338352979 385977090 /nfs/dbraw/zinc/97/70/90/385977090.db2.gz GREIDXFTQYVDER-JTQLQIEISA-N 2 0 234.278 1.768 20 0 BDADRP [NH3+]C1CCC([NH2+][C@@H]2CC[C@H](F)C2)CC1 ZINC000335018988 385978591 /nfs/dbraw/zinc/97/85/91/385978591.db2.gz YUNQZCVYNLVJHN-IDWGSYCQSA-N 2 0 200.301 1.737 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1NCC1([NH3+])CCC1 ZINC000335021101 385981067 /nfs/dbraw/zinc/98/10/67/385981067.db2.gz BDUWMNKCEIYAOR-QWRGUYRKSA-N 2 0 211.353 1.117 20 0 BDADRP Cc1ccn2c(C[NH2+][C@@H](C)CC[NH3+])cnc2c1 ZINC000414881225 385994985 /nfs/dbraw/zinc/99/49/85/385994985.db2.gz KSPHNXPINXTGRA-NSHDSACASA-N 2 0 232.331 1.470 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1NCC1([NH3+])CCC1 ZINC000335021100 385981427 /nfs/dbraw/zinc/98/14/27/385981427.db2.gz BDUWMNKCEIYAOR-MNOVXSKESA-N 2 0 211.353 1.117 20 0 BDADRP CC1([NH3+])CC[NH+](CCOc2ccccc2)CC1 ZINC000647926588 385981719 /nfs/dbraw/zinc/98/17/19/385981719.db2.gz GCHHLJZJFGOMJR-UHFFFAOYSA-N 2 0 234.343 1.879 20 0 BDADRP CCC[C@H]([NH3+])C(=O)Nc1ccc(C[NH3+])cc1 ZINC000295155123 385981936 /nfs/dbraw/zinc/98/19/36/385981936.db2.gz RNBCKQWMLMLHIR-NSHDSACASA-N 2 0 221.304 1.211 20 0 BDADRP CC[NH+](CC)CC(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000295191853 385988933 /nfs/dbraw/zinc/98/89/33/385988933.db2.gz JADSWMNQHMCGSG-UHFFFAOYSA-N 2 0 249.358 1.686 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(C)CCOCC1 ZINC000335039008 385931688 /nfs/dbraw/zinc/93/16/88/385931688.db2.gz KCHMVBHZAPESJR-OLZOCXBDSA-N 2 0 240.391 1.781 20 0 BDADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]C1CC1 ZINC000335043750 385935819 /nfs/dbraw/zinc/93/58/19/385935819.db2.gz WVHUKJYJTQSQON-HIFRSBDPSA-N 2 0 244.338 1.994 20 0 BDADRP C[C@@H](CC[NH3+])[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000414878246 385936144 /nfs/dbraw/zinc/93/61/44/385936144.db2.gz GVLVQXXLPHHCTG-NSHDSACASA-N 2 0 244.342 1.904 20 0 BDADRP C[C@@H]([NH3+])CCC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000295002674 385940769 /nfs/dbraw/zinc/94/07/69/385940769.db2.gz IIBDYMZBUXIKPR-SNVBAGLBSA-N 2 0 247.342 1.398 20 0 BDADRP CC(C)[C@H]1C[C@@H]([NH2+]CC2([NH3+])CCC2)CCO1 ZINC000414880337 385961877 /nfs/dbraw/zinc/96/18/77/385961877.db2.gz QNKGZEJJGXUNHS-NWDGAFQWSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@@H]1NCC1([NH3+])CCCCC1 ZINC000335012179 385968237 /nfs/dbraw/zinc/96/82/37/385968237.db2.gz WYJPZTDUSNHNNM-NEPJUHHUSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@H]([NH2+]C1CCC2(CC2)CC1)C1C[NH2+]C1 ZINC000335012347 385968497 /nfs/dbraw/zinc/96/84/97/385968497.db2.gz YHAWHHDLVGHFIF-JTQLQIEISA-N 2 0 208.349 1.907 20 0 BDADRP Cc1cc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)ccn1 ZINC000335012644 385969287 /nfs/dbraw/zinc/96/92/87/385969287.db2.gz RBVXEMNPWQFDRX-FZMZJTMJSA-N 2 0 233.359 1.868 20 0 BDADRP C[C@@H]([NH2+]C1CCC2(CC2)CC1)C1C[NH2+]C1 ZINC000335012350 385969703 /nfs/dbraw/zinc/96/97/03/385969703.db2.gz YHAWHHDLVGHFIF-SNVBAGLBSA-N 2 0 208.349 1.907 20 0 BDADRP C[C@@H](Cn1cccn1)[NH2+]CCCC[NH+](C)C ZINC000336750811 386004701 /nfs/dbraw/zinc/00/47/01/386004701.db2.gz UXYLOEZVPOLXID-LBPRGKRZSA-N 2 0 224.352 1.203 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+]CCCC[NH+](C)C ZINC000336750810 386004709 /nfs/dbraw/zinc/00/47/09/386004709.db2.gz UXYLOEZVPOLXID-GFCCVEGCSA-N 2 0 224.352 1.203 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+]CC[C@@H]1CCOC1 ZINC000336770203 386010537 /nfs/dbraw/zinc/01/05/37/386010537.db2.gz WJKXSTYUIYVZQK-VXGBXAGGSA-N 2 0 214.353 1.343 20 0 BDADRP COC1(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CCCC1 ZINC000309493054 386015422 /nfs/dbraw/zinc/01/54/22/386015422.db2.gz JHSZOSDGFGSMAZ-NEPJUHHUSA-N 2 0 226.364 1.805 20 0 BDADRP CC(C)(C)[NH2+]CCN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000414664932 386107584 /nfs/dbraw/zinc/10/75/84/386107584.db2.gz DBACGNLZBITYMC-TUAOUCFPSA-N 2 0 225.380 1.044 20 0 BDADRP CC(C)(C)[NH2+]CCN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000414665189 386107732 /nfs/dbraw/zinc/10/77/32/386107732.db2.gz UTCYLZALXNOKRO-GFCCVEGCSA-N 2 0 225.380 1.201 20 0 BDADRP CC(C)(C)[NH2+]CCN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000414665190 386108729 /nfs/dbraw/zinc/10/87/29/386108729.db2.gz UTCYLZALXNOKRO-LBPRGKRZSA-N 2 0 225.380 1.201 20 0 BDADRP CSCC[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000334455853 386109419 /nfs/dbraw/zinc/10/94/19/386109419.db2.gz GPAULNKVYCHIJN-GFCCVEGCSA-N 2 0 228.405 1.767 20 0 BDADRP CC[N@H+](C)[C@@H](C(=O)N[C@H](C)C[NH3+])c1ccccc1 ZINC000274460343 386109855 /nfs/dbraw/zinc/10/98/55/386109855.db2.gz VBVBOJGAEATARM-DGCLKSJQSA-N 2 0 249.358 1.143 20 0 BDADRP COC[C@@H](CC(C)C)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414889963 386120144 /nfs/dbraw/zinc/12/01/44/386120144.db2.gz MANGWRMWVYVWDR-NEPJUHHUSA-N 2 0 214.353 1.374 20 0 BDADRP C[C@H]1C[C@H](C[N@H+](CCO)C2CCCC2)CC[NH2+]1 ZINC000414667170 386120843 /nfs/dbraw/zinc/12/08/43/386120843.db2.gz HAUDWLLSKQLXGV-QWHCGFSZSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@@H](C[NH3+])C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000054338820 386121283 /nfs/dbraw/zinc/12/12/83/386121283.db2.gz VGXNGVOWUSBNRV-JTQLQIEISA-N 2 0 235.331 1.282 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)C1CCOCC1)C[NH+](C)C ZINC000336728388 386070382 /nfs/dbraw/zinc/07/03/82/386070382.db2.gz CMZRNBJJPMQRMH-NEPJUHHUSA-N 2 0 228.380 1.589 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CCC(C[NH3+])CC1 ZINC000414651103 386070975 /nfs/dbraw/zinc/07/09/75/386070975.db2.gz DZTHQEMMLXQHET-LBPRGKRZSA-N 2 0 213.369 1.031 20 0 BDADRP CN(CC[NH2+]C(C)(C)C)C1CC[NH2+]CC1 ZINC000414655402 386078921 /nfs/dbraw/zinc/07/89/21/386078921.db2.gz KZMBZBXXUCTTNR-UHFFFAOYSA-N 2 0 213.369 1.058 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@H](C)C[C@H](C)O)CC1 ZINC000164595931 386085253 /nfs/dbraw/zinc/08/52/53/386085253.db2.gz MIOVFERPSURECM-NEPJUHHUSA-N 2 0 228.380 1.608 20 0 BDADRP CC(C)C[C@H]([NH3+])CN(C)CC[C@H]([NH3+])C(C)C ZINC000414660126 386091589 /nfs/dbraw/zinc/09/15/89/386091589.db2.gz MGKNRFPSJYGNLX-STQMWFEESA-N 2 0 229.412 1.665 20 0 BDADRP CC[C@@H]1C[C@@H](C[NH2+][C@@H](C)CC[NH3+])CCO1 ZINC000414888541 386096787 /nfs/dbraw/zinc/09/67/87/386096787.db2.gz FGPJBIBYASYWOS-SDDRHHMPSA-N 2 0 214.353 1.519 20 0 BDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414662389 386099236 /nfs/dbraw/zinc/09/92/36/386099236.db2.gz QAZJXZJSRPKKFN-HZSPNIEDSA-N 3 0 241.423 1.680 20 0 BDADRP Cc1cccc(C[NH2+]C[C@H](C)C[NH3+])c1C ZINC000414892563 386147091 /nfs/dbraw/zinc/14/70/91/386147091.db2.gz XJLQDQHCEHYHTO-SNVBAGLBSA-N 2 0 206.333 1.988 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000414992036 386151346 /nfs/dbraw/zinc/15/13/46/386151346.db2.gz QXIXVFXGJNLQOF-SDDRHHMPSA-N 2 0 214.353 1.517 20 0 BDADRP C[C@@H](CC[NH3+])[NH2+]Cc1c[nH]nc1C(C)(C)C ZINC000414893148 386156012 /nfs/dbraw/zinc/15/60/12/386156012.db2.gz XXGDWVUWGLIRQE-VIFPVBQESA-N 2 0 224.352 1.534 20 0 BDADRP CC(C)[N@H+](CCO)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414677740 386157982 /nfs/dbraw/zinc/15/79/82/386157982.db2.gz JMKGCMONHNYVCE-NEPJUHHUSA-N 2 0 214.353 1.077 20 0 BDADRP CC[C@H]([NH3+])CNCc1cc(O)cc(F)c1 ZINC000414995590 386176237 /nfs/dbraw/zinc/17/62/37/386176237.db2.gz WGGHVSSFYZUNES-JTQLQIEISA-N 2 0 212.268 1.358 20 0 BDADRP C[NH+](C)C[C@](C)(O)CNc1[nH+]ccc2[nH]ccc21 ZINC000647874268 386135468 /nfs/dbraw/zinc/13/54/68/386135468.db2.gz VBWNXEAOILPAQU-CYBMUJFWSA-N 2 0 248.330 1.287 20 0 BDADRP C[NH2+][C@H]1CCCN(CC[NH2+]C(C)(C)C)C1 ZINC000414671747 386141272 /nfs/dbraw/zinc/14/12/72/386141272.db2.gz MWWNFPMSFMURSG-NSHDSACASA-N 2 0 213.369 1.058 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CCN2CC[NH2+]CC2)C[C@@H]1C ZINC000414891749 386141952 /nfs/dbraw/zinc/14/19/52/386141952.db2.gz WXZKBPIPCGECTA-HZSPNIEDSA-N 2 0 239.407 1.306 20 0 BDADRP CC(C)C[C@H]([NH3+])CN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000414700307 386204469 /nfs/dbraw/zinc/20/44/69/386204469.db2.gz JMGKEJKKPCCIIB-KGLIPLIRSA-N 2 0 241.423 1.633 20 0 BDADRP COc1ccccc1/C=C\CN(C)[C@@H](C)C[NH3+] ZINC000347141505 386261375 /nfs/dbraw/zinc/26/13/75/386261375.db2.gz WQFXPVGJGDXOJZ-VFFGBVLKSA-N 2 0 234.343 1.987 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+](C)C[C@H]2CCC[C@@H]2O)CC[NH2+]1 ZINC000414700523 386207060 /nfs/dbraw/zinc/20/70/60/386207060.db2.gz GAZSBLPMBGISMW-SYQHCUMBSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@]3(CCOC3)C2)CC[NH2+]1 ZINC000414702661 386210879 /nfs/dbraw/zinc/21/08/79/386210879.db2.gz JASBLHQZABFZLO-HZSPNIEDSA-N 2 0 238.375 1.487 20 0 BDADRP CCCn1cc(CN(C)C2CC[NH2+]CC2)cn1 ZINC000347046490 386228750 /nfs/dbraw/zinc/22/87/50/386228750.db2.gz OGEKNHJHLIOZBC-UHFFFAOYSA-N 2 0 236.363 1.477 20 0 BDADRP CCC[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)CCO1 ZINC000414712355 386230723 /nfs/dbraw/zinc/23/07/23/386230723.db2.gz UAPCHJANKZFCBX-BFHYXJOUSA-N 2 0 240.391 1.875 20 0 BDADRP CN(C)c1ccccc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000347147846 386260484 /nfs/dbraw/zinc/26/04/84/386260484.db2.gz YSCJKSTVAPSGMT-GFCCVEGCSA-N 2 0 233.359 1.533 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+]CC2(C)CC[NH2+]CC2)CC[NH2+]1 ZINC000414898549 386234509 /nfs/dbraw/zinc/23/45/09/386234509.db2.gz GFXMMBIKUHTOER-OLZOCXBDSA-N 3 0 239.407 1.354 20 0 BDADRP CC(C)[C@@H]([NH3+])C(=O)NCC[NH+](C(C)C)C(C)C ZINC000019507301 386237134 /nfs/dbraw/zinc/23/71/34/386237134.db2.gz RSJJNRMPSJRLHM-GFCCVEGCSA-N 2 0 243.395 1.205 20 0 BDADRP Cn1c2ccccc2nc1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090322986 386237253 /nfs/dbraw/zinc/23/72/53/386237253.db2.gz ZENMCYWVBPJESV-PHIMTYICSA-N 2 0 242.326 1.229 20 0 BDADRP CN(CC[NH2+]C(C)(C)C)C[C@H]1CCC[C@H]1O ZINC000414716491 386239000 /nfs/dbraw/zinc/23/90/00/386239000.db2.gz YCLKMTDSGVRUJV-VXGBXAGGSA-N 2 0 228.380 1.467 20 0 BDADRP c1ccc2[nH]c(N3C[C@H]4C[NH2+]C[C@H]4C3)nc2c1 ZINC000090323064 386239101 /nfs/dbraw/zinc/23/91/01/386239101.db2.gz HYYRSNGQDFAFCB-AOOOYVTPSA-N 2 0 228.299 1.219 20 0 BDADRP COCc1cccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000090320305 386239252 /nfs/dbraw/zinc/23/92/52/386239252.db2.gz JJNIREMRYUCALP-GASCZTMLSA-N 2 0 246.354 1.484 20 0 BDADRP C[NH2+]C[C@H]1CCCN(Cc2c(C)n[nH]c2C)C1 ZINC000347080209 386239720 /nfs/dbraw/zinc/23/97/20/386239720.db2.gz XDODNEFMXVFKIZ-GFCCVEGCSA-N 2 0 236.363 1.458 20 0 BDADRP CCC[C@](C)(CO)[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414696245 386196866 /nfs/dbraw/zinc/19/68/66/386196866.db2.gz BJORURJIBNTUET-FRRDWIJNSA-N 2 0 228.380 1.515 20 0 BDADRP CCS[C@H]1CCCC[N@H+](CCC[NH3+])C1 ZINC000414698439 386199842 /nfs/dbraw/zinc/19/98/42/386199842.db2.gz QVNUJRRUYNXGBO-NSHDSACASA-N 2 0 216.394 1.943 20 0 BDADRP C[NH2+]CC1CC[NH+](Cc2c(C)n[nH]c2C)CC1 ZINC000347202619 386281751 /nfs/dbraw/zinc/28/17/51/386281751.db2.gz KTUZQMYWNDWPJG-UHFFFAOYSA-N 2 0 236.363 1.458 20 0 BDADRP CC(C)C[C@@H]([NH2+]C(C)C)C(=O)NCC[NH+](C)C ZINC000347217256 386286337 /nfs/dbraw/zinc/28/63/37/386286337.db2.gz ZIYWPEPYOVPWJO-GFCCVEGCSA-N 2 0 243.395 1.077 20 0 BDADRP C([C@H]1CC[NH2+]C1)[N@@H+]1CCCC2(CCOCC2)C1 ZINC000647885954 386291579 /nfs/dbraw/zinc/29/15/79/386291579.db2.gz SZGYRYAYGJLLAN-ZDUSSCGKSA-N 2 0 238.375 1.489 20 0 BDADRP c1cc(C2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)ccn1 ZINC000647988057 386294571 /nfs/dbraw/zinc/29/45/71/386294571.db2.gz JMYASHWICBERKM-CYBMUJFWSA-N 2 0 245.370 1.871 20 0 BDADRP C[N@H+](C[C@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000339194381 386296352 /nfs/dbraw/zinc/29/63/52/386296352.db2.gz SYIBYBOFLPGDDE-QNMSZWNNSA-N 2 0 238.375 1.722 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[C@](C)(C[NH3+])C1 ZINC000414733661 386296742 /nfs/dbraw/zinc/29/67/42/386296742.db2.gz JYTUCVXOABLXEQ-NWDGAFQWSA-N 3 0 213.369 1.031 20 0 BDADRP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000414734440 386298790 /nfs/dbraw/zinc/29/87/90/386298790.db2.gz DWGLUNKDVXNYLK-RDBSUJKOSA-N 2 0 240.391 1.718 20 0 BDADRP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000414734438 386299159 /nfs/dbraw/zinc/29/91/59/386299159.db2.gz DWGLUNKDVXNYLK-MJBXVCDLSA-N 2 0 240.391 1.718 20 0 BDADRP CCO[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CC[NH2+]C2)C1(C)C ZINC000647886670 386299370 /nfs/dbraw/zinc/29/93/70/386299370.db2.gz HDTOPBWGMPDFNO-JHJVBQTASA-N 2 0 240.391 1.731 20 0 BDADRP C[C@@H](O)CCC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000336672505 386303098 /nfs/dbraw/zinc/30/30/98/386303098.db2.gz SXHKFIRSXPGUPP-OLZOCXBDSA-N 2 0 228.380 1.421 20 0 BDADRP CC[C@]1(CO)CCC[N@@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414737077 386305482 /nfs/dbraw/zinc/30/54/82/386305482.db2.gz IIQJHBXSUWXUAP-MELADBBJSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)CC[NH2+]1 ZINC000414738372 386316068 /nfs/dbraw/zinc/31/60/68/386316068.db2.gz JEPSASZRNGYPIY-RKQHYHRCSA-N 2 0 238.375 1.077 20 0 BDADRP C[C@@H]([NH2+]Cc1ccc2c[nH+]cn2c1)[C@H]1CCOC1 ZINC000297517935 386262028 /nfs/dbraw/zinc/26/20/28/386262028.db2.gz MVQMVYHLBDRBFR-YPMHNXCESA-N 2 0 245.326 1.849 20 0 BDADRP CC(C)(C)C[N@H+](CCCO)C[C@@H]1CC[NH2+]C1 ZINC000647884465 386264267 /nfs/dbraw/zinc/26/42/67/386264267.db2.gz SXDMRRJAYBQHJL-GFCCVEGCSA-N 2 0 228.380 1.326 20 0 BDADRP CC[C@@H]1c2ccccc2CC[N@H+]1CCOCC[NH3+] ZINC000647885702 386278150 /nfs/dbraw/zinc/27/81/50/386278150.db2.gz HCFXSQNIZADIEQ-OAHLLOKOSA-N 2 0 248.370 1.971 20 0 BDADRP C(CN1CC[C@@H]2CC[NH2+][C@H]2C1)C1CC[NH2+]CC1 ZINC000647987716 386278485 /nfs/dbraw/zinc/27/84/85/386278485.db2.gz TWMDYDOBQVEDNY-KBPBESRZSA-N 2 0 237.391 1.060 20 0 BDADRP COCC[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335278658 386346176 /nfs/dbraw/zinc/34/61/76/386346176.db2.gz LUTRFVZAXMJLSC-NSHDSACASA-N 2 0 212.337 1.097 20 0 BDADRP Cc1noc(C)c1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000092329362 386361753 /nfs/dbraw/zinc/36/17/53/386361753.db2.gz WBWRRLZIIKRHGT-YPMHNXCESA-N 2 0 237.347 1.899 20 0 BDADRP COC[C@H]1CC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000336691857 386363751 /nfs/dbraw/zinc/36/37/51/386363751.db2.gz CLHBKWRFYWRORB-QWHCGFSZSA-N 2 0 226.364 1.439 20 0 BDADRP CN(CC[NH2+]C(C)(C)C)CC1(CO)CC1 ZINC000414749172 386365693 /nfs/dbraw/zinc/36/56/93/386365693.db2.gz XRSATLUBRIKWCB-UHFFFAOYSA-N 2 0 214.353 1.079 20 0 BDADRP C[C@H]1[C@@H](CO)CC[N@@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414750005 386369599 /nfs/dbraw/zinc/36/95/99/386369599.db2.gz ZEBYDMYOBOWKOP-YVECIDJPSA-N 2 0 226.364 1.077 20 0 BDADRP CO[C@]1(C)C[C@@H]([N@H+](C)C[C@H]2CC[NH2+]C2)C1(C)C ZINC000647890706 386380700 /nfs/dbraw/zinc/38/07/00/386380700.db2.gz HVSCLYQPKLDMRQ-OUCADQQQSA-N 2 0 240.391 1.731 20 0 BDADRP [NH3+]CCC[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000414741960 386327201 /nfs/dbraw/zinc/32/72/01/386327201.db2.gz MTALWMORFSUFQH-LBPRGKRZSA-N 2 0 212.337 1.226 20 0 BDADRP CC(C)[C@@H](O)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000336684007 386329450 /nfs/dbraw/zinc/32/94/50/386329450.db2.gz CPCPPGLJZLPUEB-AWEZNQCLSA-N 2 0 242.407 1.808 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CCC2(CC[NH2+]C2)CC1 ZINC000414767110 386439442 /nfs/dbraw/zinc/43/94/42/386439442.db2.gz IHXALYJIEXNOGV-ZDUSSCGKSA-N 2 0 239.407 1.435 20 0 BDADRP CC(C)(C)[NH2+]CCN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414768288 386444581 /nfs/dbraw/zinc/44/45/81/386444581.db2.gz LONNEWXVPRNEOF-BETUJISGSA-N 3 0 239.407 1.306 20 0 BDADRP COC[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000336719034 386446516 /nfs/dbraw/zinc/44/65/16/386446516.db2.gz RMLZVAQEVXRVLG-OCCSQVGLSA-N 2 0 240.391 1.685 20 0 BDADRP CC[C@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)CCCO1 ZINC000336719042 386448522 /nfs/dbraw/zinc/44/85/22/386448522.db2.gz RWGOOEUFLKGKFV-KBPBESRZSA-N 2 0 240.391 1.972 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)[C@@H](CN)C1 ZINC000414769729 386448613 /nfs/dbraw/zinc/44/86/13/386448613.db2.gz NPSDXMMPJOFEPH-AAVRWANBSA-N 2 0 239.407 1.434 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)[C@@H](CN)C1 ZINC000414769735 386449081 /nfs/dbraw/zinc/44/90/81/386449081.db2.gz NPSDXMMPJOFEPH-XJFOESAGSA-N 2 0 239.407 1.434 20 0 BDADRP CC[C@](C)(CO)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000336704254 386392598 /nfs/dbraw/zinc/39/25/98/386392598.db2.gz PTAFEPPPCQQHOD-YNEHKIRRSA-N 2 0 226.364 1.364 20 0 BDADRP C[NH+](C)CC1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000336704692 386393574 /nfs/dbraw/zinc/39/35/74/386393574.db2.gz NKOFUBPYFMDFCY-CQSZACIVSA-N 2 0 240.391 1.829 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000414754772 386394543 /nfs/dbraw/zinc/39/45/43/386394543.db2.gz SEQRTLITNVKXHZ-RWMBFGLXSA-N 2 0 225.380 1.186 20 0 BDADRP CC[NH+](CC)CC1CC[NH+](CC[C@@H](C)O)CC1 ZINC000336706302 386398890 /nfs/dbraw/zinc/39/88/90/386398890.db2.gz FWBFLCCGVFRTBY-CYBMUJFWSA-N 2 0 242.407 1.811 20 0 BDADRP C[N@H+](C[C@H]1CCOC1)C[C@@H]1CCC[NH+](C)C1 ZINC000336700995 386402099 /nfs/dbraw/zinc/40/20/99/386402099.db2.gz LUDDRDUIVWCKKK-CHWSQXEVSA-N 2 0 226.364 1.297 20 0 BDADRP COC[C@H](CC(C)C)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414908972 386404925 /nfs/dbraw/zinc/40/49/25/386404925.db2.gz SGFYXRKITBFGDF-OLZOCXBDSA-N 2 0 228.380 1.779 20 0 BDADRP COC[C@H]1CCCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647991143 386409708 /nfs/dbraw/zinc/40/97/08/386409708.db2.gz CFVMPPRQQIUDNI-OLZOCXBDSA-N 2 0 226.364 1.344 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1C[C@H](C)[NH2+]C[C@@H]1C ZINC000414760160 386412888 /nfs/dbraw/zinc/41/28/88/386412888.db2.gz GLWHNIOBLBIJGR-SRVKXCTJSA-N 2 0 213.369 1.042 20 0 BDADRP C[C@H](O)CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000336708507 386414872 /nfs/dbraw/zinc/41/48/72/386414872.db2.gz IJIDWPRRDJAYOK-KBPBESRZSA-N 2 0 240.391 1.708 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000093461671 386417565 /nfs/dbraw/zinc/41/75/65/386417565.db2.gz ITXSGTHRSHGYMT-RQJABVFESA-N 2 0 240.391 1.658 20 0 BDADRP C[C@@H](O)CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000336708509 386419060 /nfs/dbraw/zinc/41/90/60/386419060.db2.gz IJIDWPRRDJAYOK-KGLIPLIRSA-N 2 0 240.391 1.708 20 0 BDADRP Cc1cc(C2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)[nH]n1 ZINC000647991319 386421758 /nfs/dbraw/zinc/42/17/58/386421758.db2.gz ZIHIAWJRIIUGAA-GFCCVEGCSA-N 2 0 248.374 1.507 20 0 BDADRP Cc1c(C[N@@H+]2CCC[C@H](CC[NH3+])C2)cnn1C ZINC000093651377 386432812 /nfs/dbraw/zinc/43/28/12/386432812.db2.gz BCMBTFSHZOQWQZ-GFCCVEGCSA-N 2 0 236.363 1.289 20 0 BDADRP CCn1cc(C[NH2+][C@H](C)CCCC[NH3+])cn1 ZINC000415010447 386467732 /nfs/dbraw/zinc/46/77/32/386467732.db2.gz GOGJBMXVEKAOHX-LLVKDONJSA-N 2 0 224.352 1.510 20 0 BDADRP CN(Cc1ccc2c[nH]nc2c1)C1(C[NH3+])CCC1 ZINC000414776093 386478072 /nfs/dbraw/zinc/47/80/72/386478072.db2.gz CZLUNRPAANBTQD-UHFFFAOYSA-N 2 0 244.342 1.876 20 0 BDADRP COC[C@H](CC(C)C)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415043957 386528978 /nfs/dbraw/zinc/52/89/78/386528978.db2.gz RSPJLMQDPIJEGR-QWHCGFSZSA-N 2 0 244.379 1.016 20 0 BDADRP CC[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000647934664 386483316 /nfs/dbraw/zinc/48/33/16/386483316.db2.gz LZONIMLFNQQUPU-MJBXVCDLSA-N 3 0 239.407 1.435 20 0 BDADRP C([NH2+]C[C@@H]1C[NH2+]CCCO1)C1CCCCCC1 ZINC000415044014 386529191 /nfs/dbraw/zinc/52/91/91/386529191.db2.gz RWOKKNBOLIOBLS-AWEZNQCLSA-N 2 0 240.391 1.925 20 0 BDADRP C[C@H](CC1CC1)[NH2+]CCCN1CC[NH2+]CC1 ZINC000414778707 386486795 /nfs/dbraw/zinc/48/67/95/386486795.db2.gz IKSSSUGBSWMFSX-GFCCVEGCSA-N 2 0 225.380 1.060 20 0 BDADRP COc1cccc2c1CC[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])C2 ZINC000415011291 386487394 /nfs/dbraw/zinc/48/73/94/386487394.db2.gz HLQQOGSWCYKBFK-WZRBSPASSA-N 2 0 248.370 1.878 20 0 BDADRP CCOC[C@@H](C)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415011220 386488118 /nfs/dbraw/zinc/48/81/18/386488118.db2.gz QPDGLOCMYDUMQN-KGYLQXTDSA-N 2 0 226.364 1.389 20 0 BDADRP COCCC(C)(C)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400464798 533176701 /nfs/dbraw/zinc/17/67/01/533176701.db2.gz SOWLHAAOAFMIIO-NEPJUHHUSA-N 2 0 228.380 1.779 20 0 BDADRP C(C[N@@H+]1CCCOCC1)C1CC[NH2+]CC1 ZINC000061919026 386494462 /nfs/dbraw/zinc/49/44/62/386494462.db2.gz MAKYZOCSXXTSMY-UHFFFAOYSA-N 2 0 212.337 1.098 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)CC1CCOCC1 ZINC000415016300 386499614 /nfs/dbraw/zinc/49/96/14/386499614.db2.gz CHHXNZGHZRNCSN-RYUDHWBXSA-N 2 0 228.380 1.909 20 0 BDADRP CC[N@H+](CC[C@H]1CCC[NH+]1C)[C@H](C)CO ZINC000339634800 386501612 /nfs/dbraw/zinc/50/16/12/386501612.db2.gz GSSSLGQOLUIGIW-VXGBXAGGSA-N 2 0 214.353 1.173 20 0 BDADRP C[C@@H](NCc1ccc2c(c1)ncn2C)[C@H](C)[NH3+] ZINC000415016982 386503195 /nfs/dbraw/zinc/50/31/95/386503195.db2.gz OUIOXFHLSWZENS-VHSXEESVSA-N 2 0 232.331 1.399 20 0 BDADRP CC[N@H+](CCC[NH+]1CCCCC1)[C@H](C)CO ZINC000339634119 386503628 /nfs/dbraw/zinc/50/36/28/386503628.db2.gz LSHYBUDKHZNDRS-CYBMUJFWSA-N 2 0 228.380 1.565 20 0 BDADRP [NH3+]CCC[C@@H](N[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000415050610 386505641 /nfs/dbraw/zinc/50/56/41/386505641.db2.gz IVITYBSQMSHLIO-LSDHHAIUSA-N 2 0 247.386 1.808 20 0 BDADRP c1cc(C[NH2+]CCCN2CC[NH2+]CC2)cs1 ZINC000414783616 386506023 /nfs/dbraw/zinc/50/60/23/386506023.db2.gz QWGICVDTABUBTQ-UHFFFAOYSA-N 2 0 239.388 1.133 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000415020365 386507750 /nfs/dbraw/zinc/50/77/50/386507750.db2.gz XIGRMNYJCPMANL-YVECIDJPSA-N 2 0 240.391 1.907 20 0 BDADRP CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415051559 386508501 /nfs/dbraw/zinc/50/85/01/386508501.db2.gz ZXJGGPPJUOETSS-RDBSUJKOSA-N 2 0 240.391 1.779 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+][C@@H](C)CCC[NH3+])CCO1 ZINC000415019723 386509753 /nfs/dbraw/zinc/50/97/53/386509753.db2.gz ILVYBDNWIRXNTO-YNEHKIRRSA-N 2 0 228.380 1.909 20 0 BDADRP Cc1nc(F)ccc1CNC1CC[NH+](C)CC1 ZINC000278315287 386510246 /nfs/dbraw/zinc/51/02/46/386510246.db2.gz DXVWHTVJHJWETL-UHFFFAOYSA-N 2 0 237.322 1.713 20 0 BDADRP CCCC[C@@H](COC)[NH2+][C@@H](C)CCC[NH3+] ZINC000415025937 386513127 /nfs/dbraw/zinc/51/31/27/386513127.db2.gz SBSWINJRUHAQNZ-RYUDHWBXSA-N 2 0 216.369 1.909 20 0 BDADRP COC[C@@H](CC(C)C)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415043956 386530012 /nfs/dbraw/zinc/53/00/12/386530012.db2.gz RSPJLMQDPIJEGR-OLZOCXBDSA-N 2 0 244.379 1.016 20 0 BDADRP COC(=O)C(C)(C)CC[NH2+][C@H](C)CCC[NH3+] ZINC000415023392 386513889 /nfs/dbraw/zinc/51/38/89/386513889.db2.gz MTAUKFHZRMIYMK-SNVBAGLBSA-N 2 0 230.352 1.293 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000340371806 386515437 /nfs/dbraw/zinc/51/54/37/386515437.db2.gz QDYOJEIWTKMTRF-OLZOCXBDSA-N 2 0 236.363 1.346 20 0 BDADRP C[NH2+]C1CC[NH+](C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000335449157 386516972 /nfs/dbraw/zinc/51/69/72/386516972.db2.gz WGSGRRVMQVVJJB-NEPJUHHUSA-N 2 0 225.380 1.058 20 0 BDADRP COC[C@H](C)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000189784720 386530182 /nfs/dbraw/zinc/53/01/82/386530182.db2.gz LOMZAAAGDUWNHG-CYBMUJFWSA-N 2 0 242.407 1.933 20 0 BDADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000331390308 386517868 /nfs/dbraw/zinc/51/78/68/386517868.db2.gz QAXJMZKRIGAFMH-UHTWSYAYSA-N 2 0 248.374 1.515 20 0 BDADRP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415031629 386519011 /nfs/dbraw/zinc/51/90/11/386519011.db2.gz GMABIGHLVBOBGF-OLRMPSLUSA-N 2 0 234.318 1.564 20 0 BDADRP C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415033307 386522388 /nfs/dbraw/zinc/52/23/88/386522388.db2.gz GXEXPLQETFPFKD-MCIONIFRSA-N 2 0 240.391 1.781 20 0 BDADRP C[N@H+](CCCC1CC[NH2+]CC1)[C@@H](CN)C1CC1 ZINC000647973463 386524646 /nfs/dbraw/zinc/52/46/46/386524646.db2.gz GCYRORANTIBVST-AWEZNQCLSA-N 2 0 239.407 1.435 20 0 BDADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cc(O)cc(F)c2)C1 ZINC000415041986 386526685 /nfs/dbraw/zinc/52/66/85/386526685.db2.gz QJCICMZAPHHGPS-BXKDBHETSA-N 2 0 238.306 1.748 20 0 BDADRP Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)nc1 ZINC000415040241 386527013 /nfs/dbraw/zinc/52/70/13/386527013.db2.gz OTBDYZHTJXAIRG-VXGBXAGGSA-N 2 0 219.332 1.607 20 0 BDADRP CCn1cc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cn1 ZINC000414786408 386527496 /nfs/dbraw/zinc/52/74/96/386527496.db2.gz BBEWUVXZWDZDSO-VXGBXAGGSA-N 2 0 222.336 1.120 20 0 BDADRP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)C(C)(C)C)CCN1C ZINC000336724056 386458001 /nfs/dbraw/zinc/45/80/01/386458001.db2.gz ZCFBERSSHCRDSF-JHJVBQTASA-N 2 0 242.407 1.808 20 0 BDADRP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)CC1CCOCC1 ZINC000414798274 386584701 /nfs/dbraw/zinc/58/47/01/386584701.db2.gz QATRZYXOGVBNCO-DGCLKSJQSA-N 2 0 228.380 1.765 20 0 BDADRP CC(C)n1cc(CNCC(C)(C)[NH3+])cn1 ZINC000414803681 386598508 /nfs/dbraw/zinc/59/85/08/386598508.db2.gz MNLWTZSRTZQVTM-UHFFFAOYSA-N 2 0 210.325 1.291 20 0 BDADRP CC(C)(C)[NH2+]CCN1CCCC[C@@H]1CC[NH3+] ZINC000414801103 386590300 /nfs/dbraw/zinc/59/03/00/386590300.db2.gz ZLIBBYXYKUUZNO-GFCCVEGCSA-N 2 0 227.396 1.578 20 0 BDADRP CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C1 ZINC000415044564 386530874 /nfs/dbraw/zinc/53/08/74/386530874.db2.gz SCWCJECUFCABIB-MCIONIFRSA-N 2 0 240.391 1.923 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000414788575 386532797 /nfs/dbraw/zinc/53/27/97/386532797.db2.gz DNSWQBODEBUUTO-GRYCIOLGSA-N 2 0 213.369 1.090 20 0 BDADRP C[C@@H](C[C@@H]1CCC[NH2+]1)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415047084 386535327 /nfs/dbraw/zinc/53/53/27/386535327.db2.gz AFEOQYYJQLYNQL-ZOBORPQBSA-N 2 0 239.407 1.434 20 0 BDADRP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C[C@H]1CCSC1 ZINC000415057769 386536721 /nfs/dbraw/zinc/53/67/21/386536721.db2.gz UBCAMMOSGVRQRE-AEJSXWLSSA-N 2 0 200.351 1.161 20 0 BDADRP CCCC[C@@H](COC)[NH2+]CC(C)(C)[NH3+] ZINC000414802687 386596825 /nfs/dbraw/zinc/59/68/25/386596825.db2.gz LFGUMXGKZSYHBR-JTQLQIEISA-N 2 0 202.342 1.519 20 0 BDADRP Cc1ccc(O)c(CN[C@@H](C[NH3+])C(C)(C)C)n1 ZINC000415058525 386542214 /nfs/dbraw/zinc/54/22/14/386542214.db2.gz TXAGPHDEBYSXGG-LBPRGKRZSA-N 2 0 237.347 1.559 20 0 BDADRP Cc1ccc([C@@H]([NH3+])C(=O)NC[C@H](C)[NH+](C)C)cc1 ZINC000228093203 386542364 /nfs/dbraw/zinc/54/23/64/386542364.db2.gz ZIYLYGHPEYCZRG-WCQYABFASA-N 2 0 249.358 1.061 20 0 BDADRP Cc1nc(F)ccc1C[NH2+]C[C@H]1CCCN1C ZINC000278536021 386542861 /nfs/dbraw/zinc/54/28/61/386542861.db2.gz SMTLHKOHCPSHAD-GFCCVEGCSA-N 2 0 237.322 1.713 20 0 BDADRP C[C@H](CC1CCOCC1)[NH2+]CCC[NH2+]C1CC1 ZINC000415064439 386545424 /nfs/dbraw/zinc/54/54/24/386545424.db2.gz CNWRFICZGNEGBQ-GFCCVEGCSA-N 2 0 240.391 1.923 20 0 BDADRP Cc1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)on1 ZINC000063200602 386545653 /nfs/dbraw/zinc/54/56/53/386545653.db2.gz YYHJEEFAXHBUHE-AWEZNQCLSA-N 2 0 249.358 1.947 20 0 BDADRP Cc1ccccc1C1([NH2+]CCOCC[NH3+])CC1 ZINC000647995264 386547031 /nfs/dbraw/zinc/54/70/31/386547031.db2.gz JXGJBUJAHXZPCU-UHFFFAOYSA-N 2 0 234.343 1.549 20 0 BDADRP c1ccc(O[C@H]2CC[N@@H+](C[C@H]3CC[NH2+]C3)C2)cc1 ZINC000647995243 386547229 /nfs/dbraw/zinc/54/72/29/386547229.db2.gz IWMMCSJADQHLDN-ZFWWWQNUSA-N 2 0 246.354 1.749 20 0 BDADRP CCCc1cccc(C[N@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000415067717 386548815 /nfs/dbraw/zinc/54/88/15/386548815.db2.gz LDMCJGIGVFRTBP-AWEZNQCLSA-N 2 0 236.359 1.391 20 0 BDADRP C[C@@H](C[C@@H]1CCC[NH2+]1)NCCC[NH2+]C1CC1 ZINC000415065961 386549437 /nfs/dbraw/zinc/54/94/37/386549437.db2.gz IBRQMOHUHYVVSI-AAEUAGOBSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@H](Cc1ccccc1)C[N@H+](C)C[C@H](O)C[NH3+] ZINC000415068008 386550450 /nfs/dbraw/zinc/55/04/50/386550450.db2.gz LXWYNIGBTQBTJK-TZMCWYRMSA-N 2 0 236.359 1.117 20 0 BDADRP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H](C)c1ccccc1 ZINC000415069859 386550609 /nfs/dbraw/zinc/55/06/09/386550609.db2.gz XQRYLJLGGCXITH-WPTOEGHWSA-N 2 0 230.355 1.986 20 0 BDADRP C([C@H]1CCOC1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063197861 386556895 /nfs/dbraw/zinc/55/68/95/386556895.db2.gz YFUBUGCELNWNNK-TZMCWYRMSA-N 2 0 238.375 1.487 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cncc(F)c1 ZINC000414794139 386558341 /nfs/dbraw/zinc/55/83/41/386558341.db2.gz FGSIEOAJKDOAGE-JQWIXIFHSA-N 2 0 223.295 1.438 20 0 BDADRP CO[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH2+]CC1 ZINC000415073376 386558979 /nfs/dbraw/zinc/55/89/79/386558979.db2.gz AZQFVKZGOLJJHJ-NWDGAFQWSA-N 2 0 212.337 1.286 20 0 BDADRP C[NH2+]CCCN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647902716 386562037 /nfs/dbraw/zinc/56/20/37/386562037.db2.gz BKSSPYVLHJXTKO-QWHCGFSZSA-N 3 0 225.380 1.060 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CNCC[NH2+]C(C)(C)C ZINC000415075420 386568289 /nfs/dbraw/zinc/56/82/89/386568289.db2.gz FGPZWQIGKXGACU-CYBMUJFWSA-N 2 0 241.423 1.839 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CCCC[C@@H]1C1CCC1 ZINC000647997650 386619082 /nfs/dbraw/zinc/61/90/82/386619082.db2.gz WSRLXSJVTACOQJ-CYBMUJFWSA-N 2 0 226.364 1.616 20 0 BDADRP C([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C1CC[NH2+]CC1 ZINC000415102229 386623786 /nfs/dbraw/zinc/62/37/86/386623786.db2.gz ASHSANICDWMRAY-AGIUHOORSA-N 2 0 208.349 1.764 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC000415126027 386627694 /nfs/dbraw/zinc/62/76/94/386627694.db2.gz LWDNJXXLLUKTKI-DGAVXFQQSA-N 3 0 239.407 1.291 20 0 BDADRP [NH3+]CC1(CNCC[NH2+]C2CCCCCC2)CC1 ZINC000414811793 386628806 /nfs/dbraw/zinc/62/88/06/386628806.db2.gz OOEOUAXIIFJZOW-UHFFFAOYSA-N 2 0 239.407 1.627 20 0 BDADRP COC[C@H]([NH2+]C[C@H](C)C[NH+](C)C)C1CCCC1 ZINC000425919132 386631438 /nfs/dbraw/zinc/63/14/38/386631438.db2.gz IOYZJTVYOVSZIH-JSGCOSHPSA-N 2 0 242.407 1.979 20 0 BDADRP Cn1ccnc1CN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000335502763 386632943 /nfs/dbraw/zinc/63/29/43/386632943.db2.gz YZPGFCDDQYGVLY-WDEREUQCSA-N 2 0 222.336 1.170 20 0 BDADRP COc1cccc(C[C@@H](C)[NH2+]CC(C)(C)[NH3+])n1 ZINC000414810952 386634450 /nfs/dbraw/zinc/63/44/50/386634450.db2.gz YOFCDWQYIDQSBR-SNVBAGLBSA-N 2 0 237.347 1.348 20 0 BDADRP C[NH2+]CCCN(C)Cc1cn(C(C)C)nc1C ZINC000415130537 386636297 /nfs/dbraw/zinc/63/62/97/386636297.db2.gz XFBWTKPYCQPCHN-UHFFFAOYSA-N 2 0 238.379 1.814 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCCN[C@@H]2C)CC[NH2+]1 ZINC000415146384 386641917 /nfs/dbraw/zinc/64/19/17/386641917.db2.gz YOUIUCGUOCUPDK-FVCCEPFGSA-N 2 0 225.380 1.105 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CN(C)C[C@H]1C)CC(C)C ZINC000417369574 386644291 /nfs/dbraw/zinc/64/42/91/386644291.db2.gz PLTQERSOMOECAO-FRRDWIJNSA-N 2 0 228.380 1.587 20 0 BDADRP CCCC[C@H](CN)[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414814567 386647213 /nfs/dbraw/zinc/64/72/13/386647213.db2.gz OBQWLINHRMOBQT-JHJVBQTASA-N 2 0 227.396 1.482 20 0 BDADRP COc1cc(CN[C@H](C[NH3+])C2CC2)ccc1C ZINC000414802137 386602085 /nfs/dbraw/zinc/60/20/85/386602085.db2.gz HWSBKDPCOOZUMP-CYBMUJFWSA-N 2 0 234.343 1.831 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000520230546 386607179 /nfs/dbraw/zinc/60/71/79/386607179.db2.gz TZFZJCAJQLLQSP-NXEZZACHSA-N 2 0 235.331 1.001 20 0 BDADRP C([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)[C@@H]1CCC[NH2+]C1 ZINC000415091794 386610617 /nfs/dbraw/zinc/61/06/17/386610617.db2.gz QWVXIGOCAXUFGH-XJFOESAGSA-N 2 0 238.375 1.533 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[NH2+]CCCn1ccnc1 ZINC000415098961 386618228 /nfs/dbraw/zinc/61/82/28/386618228.db2.gz GFEIHTNJKAOVHP-GFCCVEGCSA-N 2 0 224.352 1.236 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414819941 386662033 /nfs/dbraw/zinc/66/20/33/386662033.db2.gz IRTUVLKPOBDHCU-FRRDWIJNSA-N 2 0 236.363 1.249 20 0 BDADRP Cc1c[nH+]ccc1N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000366513261 386667618 /nfs/dbraw/zinc/66/76/18/386667618.db2.gz ZLUPLRNSXZDDQY-CYBMUJFWSA-N 2 0 249.358 1.283 20 0 BDADRP c1nc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)cs1 ZINC000336760048 386676703 /nfs/dbraw/zinc/67/67/03/386676703.db2.gz LXTYHDYCTMMCHP-SNVBAGLBSA-N 2 0 225.361 1.765 20 0 BDADRP CCCC[C@@H](C[NH3+])NCC[NH2+]C(C)(C)C ZINC000414818054 386657000 /nfs/dbraw/zinc/65/70/00/386657000.db2.gz UNWHWZQEXZNRAM-NSHDSACASA-N 2 0 215.385 1.482 20 0 BDADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCC23CCC3)CC1 ZINC000335468309 386685493 /nfs/dbraw/zinc/68/54/93/386685493.db2.gz GNRXSNMYDQYVCQ-LBPRGKRZSA-N 2 0 238.375 1.365 20 0 BDADRP CC(C)(C)[NH2+]CCNC[C@@H]([NH3+])c1ccccc1 ZINC000414827127 386688819 /nfs/dbraw/zinc/68/88/19/386688819.db2.gz GPJYTRGUGBNTKH-CYBMUJFWSA-N 2 0 235.375 1.664 20 0 BDADRP CC[N@@H+]1CC[C@@H](NCC2([NH+](C)C)CC2)[C@H](C)C1 ZINC000417382459 386690115 /nfs/dbraw/zinc/69/01/15/386690115.db2.gz OAXFWBBCONEAQH-CHWSQXEVSA-N 2 0 239.407 1.401 20 0 BDADRP C1CC1[C@H]1CCC[C@H]1[NH2+]C1CC[NH2+]CC1 ZINC000335483601 386712445 /nfs/dbraw/zinc/71/24/45/386712445.db2.gz ORXWETOVCJOJFX-CHWSQXEVSA-N 2 0 208.349 1.907 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(OC)cc1 ZINC000414829034 386701793 /nfs/dbraw/zinc/70/17/93/386701793.db2.gz AFHIXVMGTDXRLO-LLVKDONJSA-N 2 0 222.332 1.640 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1cccnc1C ZINC000414829055 386702514 /nfs/dbraw/zinc/70/25/14/386702514.db2.gz AHZAYTPXNVUQKG-SNVBAGLBSA-N 2 0 207.321 1.335 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000414830824 386708708 /nfs/dbraw/zinc/70/87/08/386708708.db2.gz CMMQJBZXWRIVJE-BJDJZHNGSA-N 2 0 226.364 1.245 20 0 BDADRP c1cnn(CC[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000357068147 386708783 /nfs/dbraw/zinc/70/87/83/386708783.db2.gz DIURBRNFXUNANS-CQSZACIVSA-N 2 0 248.374 1.205 20 0 BDADRP CC[NH2+]CCNCc1ccc(N2CCCC2)nc1 ZINC000414836876 386730506 /nfs/dbraw/zinc/73/05/06/386730506.db2.gz WSZYUUZEAYVDIB-UHFFFAOYSA-N 2 0 248.374 1.381 20 0 BDADRP c1ccc2c(c1)CC([NH2+]CC[C@H]1CC[NH2+]C1)C2 ZINC000414832228 386717506 /nfs/dbraw/zinc/71/75/06/386717506.db2.gz OETKYFUKVHUDCK-GFCCVEGCSA-N 2 0 230.355 1.743 20 0 BDADRP C[NH2+]CCN[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000414832823 386721370 /nfs/dbraw/zinc/72/13/70/386721370.db2.gz RHWXJKSKOLMYNV-KBPBESRZSA-N 2 0 233.359 1.289 20 0 BDADRP [NH3+][C@H](CN[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000414834727 386725425 /nfs/dbraw/zinc/72/54/25/386725425.db2.gz QTECQCFNXBTEIV-CHWSQXEVSA-N 2 0 219.332 1.028 20 0 BDADRP COC(=O)C(C)(C)CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000414930169 386747679 /nfs/dbraw/zinc/74/76/79/386747679.db2.gz SOKNQEGKDBVYEX-MNOVXSKESA-N 2 0 242.363 1.435 20 0 BDADRP CC(C)C[C@@H](C[NH3+])NC1CC[NH+](C(C)C)CC1 ZINC000414842111 386749094 /nfs/dbraw/zinc/74/90/94/386749094.db2.gz NRWIOBWDMKTUQK-AWEZNQCLSA-N 2 0 241.423 1.822 20 0 BDADRP Fc1cncc(C[NH2+]CC[C@H]2CCC[NH2+]C2)c1 ZINC000414841416 386755709 /nfs/dbraw/zinc/75/57/09/386755709.db2.gz OANGHTKUAPCQIU-LLVKDONJSA-N 2 0 237.322 1.700 20 0 BDADRP C[C@@]1(C[NH+]2CCC(CCCO)CC2)CC[NH2+]C1 ZINC000340712747 386760701 /nfs/dbraw/zinc/76/07/01/386760701.db2.gz QEAMVSCJGJOZQB-CQSZACIVSA-N 2 0 240.391 1.471 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@H]1CCOC[C@@H]1C ZINC000192131075 386742664 /nfs/dbraw/zinc/74/26/64/386742664.db2.gz AESSWNBOJIOKEP-STQMWFEESA-N 2 0 228.380 1.733 20 0 BDADRP Cc1ccncc1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414844445 386772105 /nfs/dbraw/zinc/77/21/05/386772105.db2.gz RJWWNPBHEVEUGG-CYBMUJFWSA-N 2 0 233.359 1.869 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+]C1CCSCC1 ZINC000414844483 386774100 /nfs/dbraw/zinc/77/41/00/386774100.db2.gz RNLGVSODXDZKMN-SECBINFHSA-N 2 0 202.367 1.327 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCN[C@H]2C)C1(C)C ZINC000396579436 386781030 /nfs/dbraw/zinc/78/10/30/386781030.db2.gz DQTDIMYAIISWIK-QNWHQSFQSA-N 2 0 240.391 1.920 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000396601320 386787891 /nfs/dbraw/zinc/78/78/91/386787891.db2.gz XKGPKQXVEHNOSD-FQUUOJAGSA-N 2 0 237.391 1.343 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+]C[C@H](C)CC1CCOCC1 ZINC000414846179 386811948 /nfs/dbraw/zinc/81/19/48/386811948.db2.gz UGKZFXZEOXANAR-CHWSQXEVSA-N 2 0 242.407 1.884 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000398540968 386838613 /nfs/dbraw/zinc/83/86/13/386838613.db2.gz GWEITBAOOJHTQX-UTUOFQBUSA-N 2 0 214.353 1.397 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000398595287 386849411 /nfs/dbraw/zinc/84/94/11/386849411.db2.gz WWGVOLFNSZWCTP-RWMBFGLXSA-N 2 0 228.380 1.645 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CO)C2)c2ccccc21 ZINC000331497071 386863097 /nfs/dbraw/zinc/86/30/97/386863097.db2.gz BLZFEJDXASVBLT-BAESOJJISA-N 2 0 246.354 1.882 20 0 BDADRP CC[NH+]1CCC(N[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000334833034 386871023 /nfs/dbraw/zinc/87/10/23/386871023.db2.gz LYLNHECFXKSMGJ-LLVKDONJSA-N 2 0 247.333 1.058 20 0 BDADRP Cn1cc(C[N@H+](C)CC[C@@H]2CCC[NH2+]C2)cn1 ZINC000051919536 386871882 /nfs/dbraw/zinc/87/18/82/386871882.db2.gz UJOQRUCIUPUNCD-LBPRGKRZSA-N 2 0 236.363 1.242 20 0 BDADRP C(C[N@@H+]1CCO[C@@H]2CCC[C@@H]21)[C@@H]1CCC[NH2+]C1 ZINC000051919583 386872711 /nfs/dbraw/zinc/87/27/11/386872711.db2.gz LFKHSYNDUJJOKI-MELADBBJSA-N 2 0 238.375 1.629 20 0 BDADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000331668049 386881262 /nfs/dbraw/zinc/88/12/62/386881262.db2.gz RHQDHYQKSSQBTN-VOAKCMCISA-N 3 0 225.380 1.363 20 0 BDADRP [NH3+][C@@H]1CN(CC2CC2)C[C@H]1c1ccccc1F ZINC000334860861 386913788 /nfs/dbraw/zinc/91/37/88/386913788.db2.gz XYYILPCKBIFFMI-GXTWGEPZSA-N 2 0 234.318 1.962 20 0 BDADRP C[N@@H+]1CCN(CCC[NH3+])C2(CCCCC2)C1 ZINC000334860835 386914044 /nfs/dbraw/zinc/91/40/44/386914044.db2.gz XGVJGGGSFVLMEW-UHFFFAOYSA-N 2 0 225.380 1.286 20 0 BDADRP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@H]1CCCOCC1 ZINC000334862266 386915514 /nfs/dbraw/zinc/91/55/14/386915514.db2.gz JQBCZZGPQATRII-QWHCGFSZSA-N 2 0 240.391 1.923 20 0 BDADRP COC(=O)C(C)(C)CC[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414943215 386895507 /nfs/dbraw/zinc/89/55/07/386895507.db2.gz NNUOOGWILDNHFY-MNOVXSKESA-N 2 0 242.363 1.163 20 0 BDADRP FC(F)(F)C1CCC([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000334848258 386896022 /nfs/dbraw/zinc/89/60/22/386896022.db2.gz PVWJGEBODLSENM-AUYFUSPOSA-N 2 0 248.292 1.915 20 0 BDADRP CC1(C)CCC[NH2+][C@@H]1CN[C@H]1CCC[NH2+]CC1 ZINC000334865311 386922502 /nfs/dbraw/zinc/92/25/02/386922502.db2.gz SIVODXRWOJWLND-QWHCGFSZSA-N 2 0 239.407 1.496 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000331912462 386924654 /nfs/dbraw/zinc/92/46/54/386924654.db2.gz GBDFRPZGBARYSJ-XQQFMLRXSA-N 2 0 228.380 1.787 20 0 BDADRP CC(C)[C@@](C)(CO)[NH2+]CCC[NH+]1CCCCC1 ZINC000352893252 386927224 /nfs/dbraw/zinc/92/72/24/386927224.db2.gz OKOBIDDYQQCEGW-CQSZACIVSA-N 2 0 242.407 1.859 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCc2cccnc2)C1 ZINC000161708613 386928299 /nfs/dbraw/zinc/92/82/99/386928299.db2.gz JVPXDOPBNYMPKD-WCQYABFASA-N 2 0 219.332 1.293 20 0 BDADRP [NH3+][C@@H]1C[C@H](N[C@@H]2CCCC[C@H]2[NH3+])c2ccccc21 ZINC000331976300 386935275 /nfs/dbraw/zinc/93/52/75/386935275.db2.gz KOTODDKLZCYEQM-TUVASFSCSA-N 2 0 245.370 1.991 20 0 BDADRP CC1CCC([NH2+]C[C@H]2C[NH2+]CCCO2)CC1 ZINC000334873374 386935465 /nfs/dbraw/zinc/93/54/65/386935465.db2.gz ILNMEMQCASTHLN-WXRRBKDZSA-N 2 0 226.364 1.533 20 0 BDADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H]2COC(C)(C)C2)C1 ZINC000417886014 386936124 /nfs/dbraw/zinc/93/61/24/386936124.db2.gz VKNLISGVEGAXJN-QWHCGFSZSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000331985780 386936305 /nfs/dbraw/zinc/93/63/05/386936305.db2.gz NAZUEPXCLLUQCB-UTUOFQBUSA-N 3 0 213.369 1.363 20 0 BDADRP C[C@@]1(C[NH2+]C2CCC([NH3+])CC2)CCC[NH2+]C1 ZINC000334875845 386936652 /nfs/dbraw/zinc/93/66/52/386936652.db2.gz UXEBWDGZXZKNGD-WXRRBKDZSA-N 3 0 225.380 1.236 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000331985774 386937238 /nfs/dbraw/zinc/93/72/38/386937238.db2.gz NAZUEPXCLLUQCB-GRYCIOLGSA-N 3 0 213.369 1.363 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2C[C@@H]([NH3+])c3ccccc32)CC[NH2+]1 ZINC000332031304 386943790 /nfs/dbraw/zinc/94/37/90/386943790.db2.gz SVRHPMVBNZIHHW-YIKOMLBNSA-N 2 0 245.370 1.861 20 0 BDADRP Cc1ccc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)nc1 ZINC000162186405 386944505 /nfs/dbraw/zinc/94/45/05/386944505.db2.gz BBFMODDXZNQUIC-NEPJUHHUSA-N 2 0 219.332 1.559 20 0 BDADRP CC(C)[C@](C)(O)C[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000352902644 386954119 /nfs/dbraw/zinc/95/41/19/386954119.db2.gz NSVDETZQSVHPGH-KWCYVHTRSA-N 2 0 240.391 1.466 20 0 BDADRP C[C@H](O)C[C@H](C)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000398703514 386956741 /nfs/dbraw/zinc/95/67/41/386956741.db2.gz XSRJZZRGTQWPGN-RVMXOQNASA-N 2 0 228.380 1.501 20 0 BDADRP CS[C@@H]1CC[C@@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000425353843 386963554 /nfs/dbraw/zinc/96/35/54/386963554.db2.gz NJYSVHUZTDGBFC-NWDGAFQWSA-N 2 0 226.389 1.732 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC1(CO)CCC1 ZINC000332414249 386977539 /nfs/dbraw/zinc/97/75/39/386977539.db2.gz AWSNZCAAXSNEME-RYUDHWBXSA-N 2 0 226.364 1.256 20 0 BDADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000341886241 386985429 /nfs/dbraw/zinc/98/54/29/386985429.db2.gz XRXZDGBWARSHHC-YIYPIFLZSA-N 2 0 240.391 1.731 20 0 BDADRP Cc1cc(CC[NH2+][C@H]2CN(C3CC3)C[C@H]2C)on1 ZINC000353999278 387032781 /nfs/dbraw/zinc/03/27/81/387032781.db2.gz ZTECSNHFDSILQS-YGRLFVJLSA-N 2 0 249.358 1.598 20 0 BDADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000334955615 387034832 /nfs/dbraw/zinc/03/48/32/387034832.db2.gz NFIMQRIIMMDSHJ-MFKMUULPSA-N 2 0 247.342 1.472 20 0 BDADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC000070074074 387044285 /nfs/dbraw/zinc/04/42/85/387044285.db2.gz JQYPQVFRPGNRAI-ZDUSSCGKSA-N 2 0 219.332 1.785 20 0 BDADRP CCn1cncc1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000334964752 387044931 /nfs/dbraw/zinc/04/49/31/387044931.db2.gz CPPZVFZHQRNOCD-JSGCOSHPSA-N 2 0 249.358 1.904 20 0 BDADRP C[C@@]1(O)C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000417413407 387047709 /nfs/dbraw/zinc/04/77/09/387047709.db2.gz XWCFIZHVCSNZSW-LPWJVIDDSA-N 2 0 224.348 1.116 20 0 BDADRP COCC[C@H](C)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352534992 387050655 /nfs/dbraw/zinc/05/06/55/387050655.db2.gz KXQJBTXWDOJBHO-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1CCC1CC[NH2+]CC1 ZINC000334970285 387055477 /nfs/dbraw/zinc/05/54/77/387055477.db2.gz UGYMIWJZXYHQQT-QWHCGFSZSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@@H]([NH3+])CCC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000070315027 387062873 /nfs/dbraw/zinc/06/28/73/387062873.db2.gz QROIDWRQEBUHEL-VXGBXAGGSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@H]([NH3+])CCC(=O)NCCC[NH+]1CCCCC1 ZINC000070314930 387064113 /nfs/dbraw/zinc/06/41/13/387064113.db2.gz UBBNGWJVDXMUEK-LBPRGKRZSA-N 2 0 241.379 1.106 20 0 BDADRP C[C@H](C[NH3+])N(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000514602426 387009092 /nfs/dbraw/zinc/00/90/92/387009092.db2.gz OAQMMSOJXAYMPY-LLVKDONJSA-N 2 0 249.358 1.167 20 0 BDADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)C[C@@H]1CCOC1 ZINC000398885344 387011145 /nfs/dbraw/zinc/01/11/45/387011145.db2.gz KJAGTAXMBZDCIW-OLZOCXBDSA-N 2 0 226.364 1.344 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1NCc1nc(C2CC2)cs1 ZINC000333261779 387024890 /nfs/dbraw/zinc/02/48/90/387024890.db2.gz IXUWXOJZIZZTEU-ZJUUUORDSA-N 2 0 237.372 1.990 20 0 BDADRP Cc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)no1 ZINC000334978884 387066148 /nfs/dbraw/zinc/06/61/48/387066148.db2.gz CTWLPCFIZHRRMG-CHWSQXEVSA-N 2 0 249.358 1.805 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)[C@@H]1CCCC[NH2+]1 ZINC000333883490 387068981 /nfs/dbraw/zinc/06/89/81/387068981.db2.gz WRMJQEVCFCZWLT-RVMXOQNASA-N 3 0 225.380 1.234 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C1CC(C)(F)C1 ZINC000335004744 387099524 /nfs/dbraw/zinc/09/95/24/387099524.db2.gz DTPPEROUUJBIKA-UZEXVOJHSA-N 2 0 214.328 1.855 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC1CCOCC1 ZINC000335007862 387102660 /nfs/dbraw/zinc/10/26/60/387102660.db2.gz ALAAHCFUJJXOSX-OLZOCXBDSA-N 2 0 226.364 1.663 20 0 BDADRP Cc1ccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)c(C)n1 ZINC000335010421 387103903 /nfs/dbraw/zinc/10/39/03/387103903.db2.gz QEHMGBGNTZHNPH-AWEZNQCLSA-N 2 0 233.359 1.869 20 0 BDADRP Cc1cccc2c1OC[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)C2 ZINC000335009156 387104281 /nfs/dbraw/zinc/10/42/81/387104281.db2.gz MCDTVTFVMXWTRS-RISCZKNCSA-N 2 0 246.354 1.496 20 0 BDADRP Cc1cccc2c1OC[C@H]([NH2+][C@H](C)C1C[NH2+]C1)C2 ZINC000335009154 387105417 /nfs/dbraw/zinc/10/54/17/387105417.db2.gz MCDTVTFVMXWTRS-BXUZGUMPSA-N 2 0 246.354 1.496 20 0 BDADRP CN(C)[C@@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000250350786 387114117 /nfs/dbraw/zinc/11/41/17/387114117.db2.gz JHKDCWHDJLVDOL-CHWSQXEVSA-N 2 0 225.380 1.012 20 0 BDADRP COCCC1(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000400733709 533210724 /nfs/dbraw/zinc/21/07/24/533210724.db2.gz RGIMRXPECUYQJS-NWDGAFQWSA-N 2 0 226.364 1.533 20 0 BDADRP CC[C@@H]1CCC[C@@H]([NH2+]C[C@@](C)(O)C[NH+](C)C)C1 ZINC000228723755 387122281 /nfs/dbraw/zinc/12/22/81/387122281.db2.gz VPTRTGXXDSUERO-MGPQQGTHSA-N 2 0 242.407 1.857 20 0 BDADRP CCCC[C@@H](COC)[NH2+]CC1C[NH2+]C1 ZINC000423299143 387128661 /nfs/dbraw/zinc/12/86/61/387128661.db2.gz BMVFOGUQSTYYFZ-NSHDSACASA-N 2 0 200.326 1.001 20 0 BDADRP CCn1cc([C@H](C)[NH2+]C[C@@H](C)C[NH3+])cn1 ZINC000423299397 387128823 /nfs/dbraw/zinc/12/88/23/387128823.db2.gz QBCSTFPPKTVBLS-UWVGGRQHSA-N 2 0 210.325 1.148 20 0 BDADRP CCOC[C@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000359201304 387067967 /nfs/dbraw/zinc/06/79/67/387067967.db2.gz ZTDKIGHBVQLKQS-AWEZNQCLSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@H](c1ccccc1)[C@H](C)[NH2+]CC1C[NH2+]C1 ZINC000423306204 387142231 /nfs/dbraw/zinc/14/22/31/387142231.db2.gz SMIHNUIZAUIUHN-RYUDHWBXSA-N 2 0 218.344 1.988 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000423307351 387142985 /nfs/dbraw/zinc/14/29/85/387142985.db2.gz MZIYNYPJMBIYIE-HZMBPMFUSA-N 2 0 234.343 1.954 20 0 BDADRP CCC[NH2+]CCN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000423308935 387143464 /nfs/dbraw/zinc/14/34/64/387143464.db2.gz KFHLORFQEULZTD-VXGBXAGGSA-N 2 0 213.369 1.058 20 0 BDADRP CCC[NH2+]CCN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000423309901 387147034 /nfs/dbraw/zinc/14/70/34/387147034.db2.gz MLFLUWWGCFCKIY-RWMBFGLXSA-N 2 0 227.396 1.304 20 0 BDADRP CCC[NH2+]CCN[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000423312173 387148116 /nfs/dbraw/zinc/14/81/16/387148116.db2.gz RKDYXFSBQPJKTA-NEPJUHHUSA-N 2 0 225.380 1.201 20 0 BDADRP C([NH2+][C@@H](C1CC1)C1CCCC1)C1C[NH2+]C1 ZINC000423313626 387151525 /nfs/dbraw/zinc/15/15/25/387151525.db2.gz FZBINRYSAUAOHO-CYBMUJFWSA-N 2 0 208.349 1.764 20 0 BDADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H]([NH3+])C1CC1 ZINC000423313181 387151849 /nfs/dbraw/zinc/15/18/49/387151849.db2.gz FIFFOWYVXDMVJT-GLQYFDAESA-N 2 0 247.386 1.272 20 0 BDADRP [NH3+][C@H](C[NH2+][C@H](C1CC1)C1CCC1)C1CC1 ZINC000423314095 387154388 /nfs/dbraw/zinc/15/43/88/387154388.db2.gz GMQGYZRTMPLFJA-OLZOCXBDSA-N 2 0 208.349 1.892 20 0 BDADRP CCC1(CC)[C@H]([NH2+]C[C@@H]([NH3+])C2CC2)C[C@@H]1OC ZINC000423314784 387155066 /nfs/dbraw/zinc/15/50/66/387155066.db2.gz HUYCKKRQQMZZMS-UPJWGTAASA-N 2 0 240.391 1.907 20 0 BDADRP [NH3+]CCCC[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000423318866 387159063 /nfs/dbraw/zinc/15/90/63/387159063.db2.gz DWQBVPRZMXDWET-CYBMUJFWSA-N 2 0 234.343 1.709 20 0 BDADRP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[NH2+]C1 ZINC000423324334 387168425 /nfs/dbraw/zinc/16/84/25/387168425.db2.gz BBJDSJXFPFBRLE-RWMBFGLXSA-N 2 0 226.364 1.391 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]2C2CC2)CC[NH2+]1 ZINC000423374081 387193373 /nfs/dbraw/zinc/19/33/73/387193373.db2.gz HQFFHRKZUINGCO-OJAKKHQRSA-N 2 0 208.349 1.905 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@@]1(C)CCC[NH2+]C1 ZINC000423328225 387169605 /nfs/dbraw/zinc/16/96/05/387169605.db2.gz LWIRIVHSQZSCNR-MCIONIFRSA-N 2 0 239.407 1.306 20 0 BDADRP [NH3+][C@@H](CN[C@@H]1C[C@@H]([NH3+])c2ccccc21)C1CC1 ZINC000423330100 387172204 /nfs/dbraw/zinc/17/22/04/387172204.db2.gz TXGFOIKJHPDMFB-HZSPNIEDSA-N 2 0 231.343 1.458 20 0 BDADRP c1cncc([C@H]2CCC[C@H]([NH2+]CC3C[NH2+]C3)C2)c1 ZINC000423329524 387173738 /nfs/dbraw/zinc/17/37/38/387173738.db2.gz SXHGYTQJYIAEID-ZFWWWQNUSA-N 2 0 245.370 1.917 20 0 BDADRP CC1(C)[C@H]([NH2+]C[C@H]([NH3+])C2CC2)[C@@H]2CCCO[C@H]21 ZINC000423331056 387176822 /nfs/dbraw/zinc/17/68/22/387176822.db2.gz UOOCEGVEIDCCMD-WUHRBBMRSA-N 2 0 238.375 1.517 20 0 BDADRP C[C@H]([NH2+]CC1C[NH2+]C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423332379 387177792 /nfs/dbraw/zinc/17/77/92/387177792.db2.gz VCBXIIUOLSCEBR-CQDKDKBSSA-N 2 0 230.355 1.988 20 0 BDADRP COCCC[C@H](C)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423337265 387185092 /nfs/dbraw/zinc/18/50/92/387185092.db2.gz UBXRENGMJGCZCI-STQMWFEESA-N 2 0 228.380 1.781 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cn[nH]c1 ZINC000229636754 387188888 /nfs/dbraw/zinc/18/88/88/387188888.db2.gz MSJSIWLJASEOOJ-SNVBAGLBSA-N 2 0 222.336 1.402 20 0 BDADRP CCn1nc(C)c(C[NH2+][C@H](C)C[C@H](C)[NH3+])c1C ZINC000572474111 387189260 /nfs/dbraw/zinc/18/92/60/387189260.db2.gz OYPGSSWCRXIQKD-VHSXEESVSA-N 2 0 238.379 1.735 20 0 BDADRP CC(C)[C@@H]1C[C@@H]([NH2+]CC2=CC[NH2+]CC2)CCO1 ZINC000423341816 387189472 /nfs/dbraw/zinc/18/94/72/387189472.db2.gz KJMLIJVLQJDMPD-KBPBESRZSA-N 2 0 238.375 1.699 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+]CC2=CC[NH2+]CC2)CCO1 ZINC000423341817 387189887 /nfs/dbraw/zinc/18/98/87/387189887.db2.gz KJMLIJVLQJDMPD-KGLIPLIRSA-N 2 0 238.375 1.699 20 0 BDADRP C[NH2+]CCCN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062973420 387190002 /nfs/dbraw/zinc/19/00/02/387190002.db2.gz JUHRGGQIAQRTSG-CYBMUJFWSA-N 2 0 225.380 1.156 20 0 BDADRP Cc1cncc([C@H](C)[NH2+]CCCC[NH3+])c1 ZINC000423341953 387190332 /nfs/dbraw/zinc/19/03/32/387190332.db2.gz YKBKFRYCZWMSIQ-NSHDSACASA-N 2 0 207.321 1.780 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423305049 387139220 /nfs/dbraw/zinc/13/92/20/387139220.db2.gz KAJOYTAACUWRRW-QNWHQSFQSA-N 2 0 238.375 1.519 20 0 BDADRP CCC[NH2+]CCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423305448 387139447 /nfs/dbraw/zinc/13/94/47/387139447.db2.gz BWZFSJXUHCZNHO-UONOGXRCSA-N 2 0 233.359 1.720 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000423305032 387140135 /nfs/dbraw/zinc/14/01/35/387140135.db2.gz ZZNQAERXMFOKPV-FRRDWIJNSA-N 2 0 227.396 1.576 20 0 BDADRP C[C@@H](NC[C@]1(C)CCC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423351570 387203569 /nfs/dbraw/zinc/20/35/69/387203569.db2.gz ZFHGPMUUJIKVSF-FRRDWIJNSA-N 2 0 225.380 1.106 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)C[NH2+]C)C1(C)C ZINC000300394598 387203817 /nfs/dbraw/zinc/20/38/17/387203817.db2.gz YFAOGKGCBDREHY-GRYCIOLGSA-N 2 0 228.380 1.635 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1N[C@@H]1CCC[NH2+]C1 ZINC000423353117 387205112 /nfs/dbraw/zinc/20/51/12/387205112.db2.gz CIPPMMLKEVAPBU-YVECIDJPSA-N 2 0 225.380 1.057 20 0 BDADRP CC[N@H+]1C[C@H](NCC[C@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000423356312 387206942 /nfs/dbraw/zinc/20/69/42/387206942.db2.gz GMTFSATUTVKATG-XQQFMLRXSA-N 2 0 225.380 1.058 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000300413153 387207175 /nfs/dbraw/zinc/20/71/75/387207175.db2.gz YVUYXBOQAJEYMW-SYQHCUMBSA-N 2 0 242.407 1.856 20 0 BDADRP C[C@H]1C[C@@H](NCC[C@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000423356708 387208872 /nfs/dbraw/zinc/20/88/72/387208872.db2.gz HFPOMIPCJQPLBP-XQQFMLRXSA-N 2 0 225.380 1.201 20 0 BDADRP CC(C)[C@@H](Cn1cccn1)[NH2+]CC1=CC[NH2+]CC1 ZINC000423358421 387211086 /nfs/dbraw/zinc/21/10/86/387211086.db2.gz UCRLXNKJBIAUEW-CQSZACIVSA-N 2 0 248.374 1.417 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000423363320 387216198 /nfs/dbraw/zinc/21/61/98/387216198.db2.gz BUMXJIPAKBLGHC-NDBYEHHHSA-N 2 0 225.380 1.092 20 0 BDADRP COC[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353500032 387216424 /nfs/dbraw/zinc/21/64/24/387216424.db2.gz VRJUGGLHNSNIRM-RQJABVFESA-N 2 0 240.391 1.731 20 0 BDADRP Cc1cnccc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000230706829 387219053 /nfs/dbraw/zinc/21/90/53/387219053.db2.gz JJFPLVYKCOTALF-WCQYABFASA-N 2 0 219.332 1.559 20 0 BDADRP CCC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353517552 387221595 /nfs/dbraw/zinc/22/15/95/387221595.db2.gz JAKCPNNBROVPFG-REWJHTLYSA-N 2 0 240.391 1.610 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000423369407 387223816 /nfs/dbraw/zinc/22/38/16/387223816.db2.gz BXZRWJJVZZYZOD-FQUUOJAGSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C(C2CC2)C2CC2)CC[NH2+]1 ZINC000572112099 387236193 /nfs/dbraw/zinc/23/61/93/387236193.db2.gz DWMWQSQQXSXVOD-BXKDBHETSA-N 2 0 208.349 1.905 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423401345 387238927 /nfs/dbraw/zinc/23/89/27/387238927.db2.gz VZBKKRHULVVCCL-BYNQJWBRSA-N 2 0 237.391 1.329 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1C[NH2+]C[C@H]1O)C1CCCCC1 ZINC000423412099 387247009 /nfs/dbraw/zinc/24/70/09/387247009.db2.gz WCVHXMVNVNZEME-HZSPNIEDSA-N 2 0 240.391 1.515 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1cccc(CO)c1 ZINC000423409319 387247041 /nfs/dbraw/zinc/24/70/41/387247041.db2.gz YRJHVPXGCYJAJV-TYNCELHUSA-N 2 0 248.370 1.828 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CCO1 ZINC000423423059 387249828 /nfs/dbraw/zinc/24/98/28/387249828.db2.gz LUCZFSJMIVUHOU-AAVRWANBSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccncn1 ZINC000423423047 387250586 /nfs/dbraw/zinc/25/05/86/387250586.db2.gz LSHNQDVPUXYMOJ-JHJVBQTASA-N 2 0 248.374 1.892 20 0 BDADRP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)[C@@H]1CCCO1 ZINC000423348298 387196388 /nfs/dbraw/zinc/19/63/88/387196388.db2.gz SXGDSCZWSVEFRL-AVGNSLFASA-N 2 0 226.364 1.533 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]C2CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000353440524 387200899 /nfs/dbraw/zinc/20/08/99/387200899.db2.gz KTYIPZNJUDBOOZ-IHRRRGAJSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423461822 387311034 /nfs/dbraw/zinc/31/10/34/387311034.db2.gz TWTHMFNFURVEFS-DDTOSNHZSA-N 3 0 233.359 1.848 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H](COC)C1CCCC1 ZINC000423467758 387315226 /nfs/dbraw/zinc/31/52/26/387315226.db2.gz OBBMOHYGLCGLAO-RYUDHWBXSA-N 2 0 214.353 1.519 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@H](Cn1cccn1)C(C)C ZINC000423473122 387319238 /nfs/dbraw/zinc/31/92/38/387319238.db2.gz QNVWCNSQYAFAPX-NWDGAFQWSA-N 2 0 224.352 1.235 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000423466293 387315955 /nfs/dbraw/zinc/31/59/55/387315955.db2.gz NIKRTBWCKBOCSP-YIYPIFLZSA-N 2 0 240.391 1.909 20 0 BDADRP C[NH+](C)C1CCC([NH2+]CC[C@H]2CCOC2)CC1 ZINC000353686067 387258270 /nfs/dbraw/zinc/25/82/70/387258270.db2.gz JNUFOOVVFGUSAH-HSBZDZAISA-N 2 0 240.391 1.875 20 0 BDADRP CCC(CC)(C[NH3+])C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000648119895 387260696 /nfs/dbraw/zinc/26/06/96/387260696.db2.gz CEBABXBKEYLIDD-NSHDSACASA-N 2 0 241.379 1.010 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000423384097 387268569 /nfs/dbraw/zinc/26/85/69/387268569.db2.gz PXDQNEMRPWLHCE-UTUOFQBUSA-N 2 0 214.353 1.389 20 0 BDADRP CC[NH2+][C@H](C)CN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000423387016 387271499 /nfs/dbraw/zinc/27/14/99/387271499.db2.gz SGYXFJFDUMGSRB-FVCCEPFGSA-N 2 0 227.396 1.303 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1NCCCC1(C)C ZINC000423391413 387276413 /nfs/dbraw/zinc/27/64/13/387276413.db2.gz PKAKSMGPHJUNMP-QWHCGFSZSA-N 2 0 241.423 1.872 20 0 BDADRP CC[NH2+]CCC[NH2+][C@H](C)CCCCO ZINC000643499000 387281159 /nfs/dbraw/zinc/28/11/59/387281159.db2.gz KGHUMUQHPXEWOZ-LLVKDONJSA-N 2 0 202.342 1.127 20 0 BDADRP CC(C)=CCC[C@@H](C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423431173 387283313 /nfs/dbraw/zinc/28/33/13/387283313.db2.gz LLKZHZZXJMDXPQ-NDBYEHHHSA-N 2 0 208.349 1.929 20 0 BDADRP C[NH+](C)CCC1CC[NH+](CCC(C)(C)O)CC1 ZINC000360435593 387283733 /nfs/dbraw/zinc/28/37/33/387283733.db2.gz FMEWKMHXPHAAPJ-UHFFFAOYSA-N 2 0 242.407 1.811 20 0 BDADRP C[NH+](C)CCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000120958550 387285253 /nfs/dbraw/zinc/28/52/53/387285253.db2.gz QYEDONAEOUNJPX-XQQFMLRXSA-N 2 0 238.375 1.485 20 0 BDADRP COC[C@@]1(C[NH2+][C@H](C)C2CCCC2)CCC[NH2+]1 ZINC000423439092 387288934 /nfs/dbraw/zinc/28/89/34/387288934.db2.gz VEXFYDRLDBOVJD-OCCSQVGLSA-N 2 0 240.391 1.923 20 0 BDADRP CCO[C@@H]1C[C@H]1[NH2+][C@@H](C)CCCC[NH3+] ZINC000514825146 387290477 /nfs/dbraw/zinc/29/04/77/387290477.db2.gz WFQMJZWUHSGUIT-HBNTYKKESA-N 2 0 200.326 1.271 20 0 BDADRP C[C@H]([NH3+])[C@H](C)N[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000423440143 387290493 /nfs/dbraw/zinc/29/04/93/387290493.db2.gz APKHPHNLOPUKDY-KIJLLGNVSA-N 2 0 225.380 1.185 20 0 BDADRP C[C@H](C[C@H]1CCOC1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000643461979 387295675 /nfs/dbraw/zinc/29/56/75/387295675.db2.gz IICODKLRDQKENP-YVECIDJPSA-N 2 0 226.364 1.532 20 0 BDADRP CCOC[C@H]1CCC[C@@H]1[NH2+]C1CCN(C)CC1 ZINC000353924381 387299974 /nfs/dbraw/zinc/29/99/74/387299974.db2.gz BWUAVFRLTQPOED-OCCSQVGLSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1cc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)on1 ZINC000353947743 387301540 /nfs/dbraw/zinc/30/15/40/387301540.db2.gz OUHOQMQFHUHATO-STQMWFEESA-N 2 0 249.358 1.742 20 0 BDADRP C[C@H](CCC[NH3+])NC(=O)c1ccccc1CC[NH3+] ZINC000514868983 387305588 /nfs/dbraw/zinc/30/55/88/387305588.db2.gz FRKDVPMRCJTYJX-LLVKDONJSA-N 2 0 249.358 1.045 20 0 BDADRP CC[C@@H]([NH2+][C@H](C)CCC[NH3+])[C@@H]1CCC[NH2+]1 ZINC000423457738 387306367 /nfs/dbraw/zinc/30/63/67/387306367.db2.gz PKBBMXGPQYMJQW-UTUOFQBUSA-N 3 0 213.369 1.234 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1N[C@@H]1C[NH2+]CCC1(F)F ZINC000514931722 387308172 /nfs/dbraw/zinc/30/81/72/387308172.db2.gz VXNUGPGBQLNVCL-OUAUKWLOSA-N 2 0 247.333 1.233 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000160579643 387308649 /nfs/dbraw/zinc/30/86/49/387308649.db2.gz UNGGKDNKPBTEKU-ONGXEEELSA-N 2 0 210.346 1.917 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NCCC[NH2+]C1CC1 ZINC000423527389 387356549 /nfs/dbraw/zinc/35/65/49/387356549.db2.gz MGOLYCMTPQGMOS-BXUZGUMPSA-N 2 0 237.391 1.201 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423532389 387358689 /nfs/dbraw/zinc/35/86/89/387358689.db2.gz RABBWWONNLPVNR-MYZSUADSSA-N 2 0 247.386 1.457 20 0 BDADRP CO[C@@H](C)[C@H](C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423536025 387362066 /nfs/dbraw/zinc/36/20/66/387362066.db2.gz GGMCDTYIFYQZIE-QWRGUYRKSA-N 2 0 212.337 1.309 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc3c2NCC3)C1 ZINC000336541440 387364627 /nfs/dbraw/zinc/36/46/27/387364627.db2.gz HCMLPOLJESQZFG-WCQYABFASA-N 2 0 245.370 1.824 20 0 BDADRP COCCC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423540036 387365364 /nfs/dbraw/zinc/36/53/64/387365364.db2.gz JHRFTUREYKOJFS-IGQOVBAYSA-N 2 0 240.391 1.779 20 0 BDADRP CC[C@H](C)C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000423539797 387365425 /nfs/dbraw/zinc/36/54/25/387365425.db2.gz CAZGEHULCRETRO-FIQHERPVSA-N 2 0 214.353 1.374 20 0 BDADRP CC(C)[C@H](C(=O)Nc1ccc(C[NH3+])cc1)[C@H](C)[NH3+] ZINC000423539014 387365808 /nfs/dbraw/zinc/36/58/08/387365808.db2.gz HOHZMXQEBMLQOW-GWCFXTLKSA-N 2 0 249.358 1.703 20 0 BDADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)[C@H]1CCC[NH2+]1 ZINC000423540192 387365871 /nfs/dbraw/zinc/36/58/71/387365871.db2.gz DANGXGYTRMELAL-GFJIZPEISA-N 3 0 239.407 1.589 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H]1CCCC[NH2+]1 ZINC000643502457 387366943 /nfs/dbraw/zinc/36/69/43/387366943.db2.gz GXTPAYJYLUEDLD-JHJVBQTASA-N 2 0 225.380 1.106 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC12CCSCC2 ZINC000423547663 387370058 /nfs/dbraw/zinc/37/00/58/387370058.db2.gz LROFVRLFICQSCO-UTUOFQBUSA-N 2 0 240.416 1.989 20 0 BDADRP COCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423551013 387372669 /nfs/dbraw/zinc/37/26/69/387372669.db2.gz JDAHFUIBMBTYSY-MELADBBJSA-N 2 0 240.391 1.923 20 0 BDADRP C1C[C@H]2C[C@H](N[C@H]3CCCC[NH2+]C3)CC[N@@H+]2C1 ZINC000423550962 387373579 /nfs/dbraw/zinc/37/35/79/387373579.db2.gz IVTYCPHPDVWZJK-RDBSUJKOSA-N 2 0 237.391 1.345 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1NCCC[NH2+]C1CC1 ZINC000423549740 387373918 /nfs/dbraw/zinc/37/39/18/387373918.db2.gz IEBLLKAUOPJJLP-AAEUAGOBSA-N 2 0 225.380 1.106 20 0 BDADRP CC[C@@H](COC)[NH2+]C[C@H](C)Cn1ccnc1C ZINC000121516303 387376519 /nfs/dbraw/zinc/37/65/19/387376519.db2.gz MWCRWBASGYBQEY-AAEUAGOBSA-N 2 0 239.363 1.842 20 0 BDADRP C[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H]1CCOC1 ZINC000336554755 387378888 /nfs/dbraw/zinc/37/88/88/387378888.db2.gz BJDRSPMXRBPURG-VXGBXAGGSA-N 2 0 212.337 1.049 20 0 BDADRP C[C@H](N[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1CCCC[NH2+]1 ZINC000423474859 387321766 /nfs/dbraw/zinc/32/17/66/387321766.db2.gz HTRDWWIACRSSGL-GARJFASQSA-N 2 0 247.333 1.104 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423477147 387324242 /nfs/dbraw/zinc/32/42/42/387324242.db2.gz JODIZFSLRXAPGT-IHRRRGAJSA-N 3 0 239.407 1.626 20 0 BDADRP Cc1noc(C)c1CCN[C@H]1CCC[NH2+]C1 ZINC000515060476 387328677 /nfs/dbraw/zinc/32/86/77/387328677.db2.gz LNCSJEXRBLZBPH-NSHDSACASA-N 2 0 223.320 1.176 20 0 BDADRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)C1CCOCC1 ZINC000423482649 387328581 /nfs/dbraw/zinc/32/85/81/387328581.db2.gz PMAYRTZURAADAI-TZMCWYRMSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)C1CCOCC1 ZINC000423482645 387328778 /nfs/dbraw/zinc/32/87/78/387328778.db2.gz PMAYRTZURAADAI-JSGCOSHPSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1cnccc1N ZINC000423483735 387329701 /nfs/dbraw/zinc/32/97/01/387329701.db2.gz ZBRUESCJTNAFEQ-SRVKXCTJSA-N 2 0 248.374 1.662 20 0 BDADRP Cc1nccnc1[C@@H](C)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423485412 387331807 /nfs/dbraw/zinc/33/18/07/387331807.db2.gz ROAAOUPCAGVDHR-DGCLKSJQSA-N 2 0 248.374 1.968 20 0 BDADRP COC[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)C(C)C ZINC000423488051 387333054 /nfs/dbraw/zinc/33/30/54/387333054.db2.gz DIDHUAVMNOMIFU-SRVKXCTJSA-N 2 0 214.353 1.374 20 0 BDADRP C([NH2+][C@H](C1CC1)C1CCC1)[C@H]1C[NH2+]CCCO1 ZINC000423492815 387336265 /nfs/dbraw/zinc/33/62/65/387336265.db2.gz OSOJHMQLTSWSAF-KGLIPLIRSA-N 2 0 238.375 1.533 20 0 BDADRP C[C@@H](Cc1ccoc1)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423491613 387336496 /nfs/dbraw/zinc/33/64/96/387336496.db2.gz JYIICMFRDCINSB-WCQYABFASA-N 2 0 238.331 1.179 20 0 BDADRP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)C1CC1 ZINC000423498190 387340781 /nfs/dbraw/zinc/34/07/81/387340781.db2.gz BOTCXPBROAAOHJ-VXGBXAGGSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)C(C)(F)F ZINC000306559097 387351955 /nfs/dbraw/zinc/35/19/55/387351955.db2.gz QAMWKLQUBWKKRY-AFPNSQJFSA-N 2 0 206.280 1.890 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCC[NH2+]C1CC1 ZINC000423520108 387353605 /nfs/dbraw/zinc/35/36/05/387353605.db2.gz DQCTZCJCGXSENO-YRGRVCCFSA-N 2 0 239.407 1.447 20 0 BDADRP Cn1cncc1C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000515845897 387433881 /nfs/dbraw/zinc/43/38/81/387433881.db2.gz WNMCOSNBSWHZBD-UHFFFAOYSA-N 2 0 230.315 1.169 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[NH2+]2)C1 ZINC000643505755 387452856 /nfs/dbraw/zinc/45/28/56/387452856.db2.gz GRYPLJCHAMZOKP-QJPTWQEYSA-N 2 0 212.337 1.286 20 0 BDADRP C[C@H]([NH2+]CC1(CO)CCCCC1)C1C[NH2+]C1 ZINC000643466285 387387236 /nfs/dbraw/zinc/38/72/36/387387236.db2.gz SJPIOEXTGBJVFG-NSHDSACASA-N 2 0 226.364 1.127 20 0 BDADRP CC(C)(O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000336562188 387389156 /nfs/dbraw/zinc/38/91/56/387389156.db2.gz AHHJBRYETIHYGL-LBPRGKRZSA-N 2 0 226.364 1.079 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000515634616 387404535 /nfs/dbraw/zinc/40/45/35/387404535.db2.gz UNWDAGQBPRRPSD-YNEHKIRRSA-N 2 0 248.374 1.517 20 0 BDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000423770401 387420139 /nfs/dbraw/zinc/42/01/39/387420139.db2.gz HKDIGEMHYABWTE-SDDRHHMPSA-N 2 0 243.395 1.206 20 0 BDADRP CC1(C)C[C@H]([NH2+][C@H]2CCN3CCCC[C@H]23)CO1 ZINC000396849178 387502776 /nfs/dbraw/zinc/50/27/76/387502776.db2.gz MJKVYHYIJGKUHW-RWMBFGLXSA-N 2 0 238.375 1.770 20 0 BDADRP C[C@H](CC[NH3+])NC(=O)CC1(C[NH3+])CCCCC1 ZINC000361625270 387512495 /nfs/dbraw/zinc/51/24/95/387512495.db2.gz DPEQYARQCAKMFJ-LLVKDONJSA-N 2 0 241.379 1.139 20 0 BDADRP CC(C)C[C@@H]1CCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000396979268 387525622 /nfs/dbraw/zinc/52/56/22/387525622.db2.gz SBWDSHKBEJWIAI-AWEZNQCLSA-N 2 0 239.407 1.402 20 0 BDADRP CC[C@H]([NH2+][C@H]1CC[C@@H](CO)CC1)[C@@H]1CCC[NH2+]1 ZINC000643471042 387477210 /nfs/dbraw/zinc/47/72/10/387477210.db2.gz PKZGIRJODPOWMZ-CRWXNKLISA-N 2 0 240.391 1.658 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@@H](CO)CC1)[C@H]1CCC[NH2+]1 ZINC000643471007 387477556 /nfs/dbraw/zinc/47/75/56/387477556.db2.gz JCMPIHOPPVFZLQ-WUHRBBMRSA-N 2 0 226.364 1.268 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccoc1C ZINC000643472229 387485483 /nfs/dbraw/zinc/48/54/83/387485483.db2.gz JOCAUNIZZQCSCW-LBPRGKRZSA-N 2 0 226.320 1.432 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]CCC1CC[NH+](C)CC1 ZINC000122140472 387487165 /nfs/dbraw/zinc/48/71/65/387487165.db2.gz TXXZRQXZJCYDIM-NWDGAFQWSA-N 2 0 228.380 1.731 20 0 BDADRP c1cn(CC[N@@H+]2CCCO[C@@H]3CCC[C@@H]32)cn1 ZINC000362181338 387581810 /nfs/dbraw/zinc/58/18/10/387581810.db2.gz RPQIYCDJIBHTKJ-QWHCGFSZSA-N 2 0 235.331 1.527 20 0 BDADRP C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000400737837 387595370 /nfs/dbraw/zinc/59/53/70/387595370.db2.gz SBCMXWLZTMSTBV-XQHKEYJVSA-N 2 0 225.380 1.199 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@@H]1CCCc2cccnc21 ZINC000643514861 387599563 /nfs/dbraw/zinc/59/95/63/387599563.db2.gz WAEWTYIJKJCMPG-CMPLNLGQSA-N 2 0 219.332 1.643 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@H]1CCCc2cccnc21 ZINC000643514862 387599776 /nfs/dbraw/zinc/59/97/76/387599776.db2.gz WAEWTYIJKJCMPG-JQWIXIFHSA-N 2 0 219.332 1.643 20 0 BDADRP CC(C)[C@H](O)CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000305364950 387601681 /nfs/dbraw/zinc/60/16/81/387601681.db2.gz VIAFMHJURWQIBJ-HZSPNIEDSA-N 2 0 240.391 1.610 20 0 BDADRP Cc1[nH]nc2ncc(C[NH2+]C(C)(C)CC[NH3+])cc12 ZINC000422561867 387602742 /nfs/dbraw/zinc/60/27/42/387602742.db2.gz NTLKBNGFGNZHSV-UHFFFAOYSA-N 2 0 247.346 1.483 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000422690342 387612468 /nfs/dbraw/zinc/61/24/68/387612468.db2.gz GDOGFQGZYDRVGU-BFHYXJOUSA-N 3 0 239.407 1.306 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422707100 387620170 /nfs/dbraw/zinc/62/01/70/387620170.db2.gz GQSZTEYSNAKNNQ-WUHRBBMRSA-N 2 0 228.380 1.643 20 0 BDADRP O[C@H](C[NH2+]C1CC[NH2+]CC1)C1CCCCC1 ZINC000422704355 387621156 /nfs/dbraw/zinc/62/11/56/387621156.db2.gz PLFPAGBEDAHQIH-CYBMUJFWSA-N 2 0 226.364 1.269 20 0 BDADRP O[C@@H](C[NH2+]C1CC[NH2+]CC1)C1CCCCC1 ZINC000422704357 387621172 /nfs/dbraw/zinc/62/11/72/387621172.db2.gz PLFPAGBEDAHQIH-ZDUSSCGKSA-N 2 0 226.364 1.269 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H](O)C1CCCCC1 ZINC000422705549 387621282 /nfs/dbraw/zinc/62/12/82/387621282.db2.gz RVXAQDSSUPEPAH-DGCLKSJQSA-N 2 0 228.380 1.645 20 0 BDADRP C[C@H](O)C1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000305661118 387624877 /nfs/dbraw/zinc/62/48/77/387624877.db2.gz XYTBPAGTCRULQY-JSGCOSHPSA-N 2 0 240.391 1.564 20 0 BDADRP CC(C)[N@@H+](CC[C@@H]1CCC[NH+]1C)C[C@@H](C)O ZINC000305679720 387624917 /nfs/dbraw/zinc/62/49/17/387624917.db2.gz NCZZCWDSTCEEKL-OLZOCXBDSA-N 2 0 228.380 1.562 20 0 BDADRP CC[N@H+](CC[C@@H]1CCC[NH+]1C)CC(C)(C)O ZINC000305682220 387626347 /nfs/dbraw/zinc/62/63/47/387626347.db2.gz OFJDANUJOBLEDH-LBPRGKRZSA-N 2 0 228.380 1.564 20 0 BDADRP COc1cccc([C@@H](C)[NH2+][C@H](C)C2C[NH2+]C2)c1 ZINC000422711445 387626594 /nfs/dbraw/zinc/62/65/94/387626594.db2.gz NCMBXWPBXPIJHU-GHMZBOCLSA-N 2 0 234.343 1.954 20 0 BDADRP C[C@]1(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])CCOC1 ZINC000397150590 387546655 /nfs/dbraw/zinc/54/66/55/387546655.db2.gz LVJCQJXGQUCLKX-FRRDWIJNSA-N 2 0 226.364 1.520 20 0 BDADRP Cc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])ncn1 ZINC000643476320 387546658 /nfs/dbraw/zinc/54/66/58/387546658.db2.gz ITWJYUQMRCYZLO-DGCLKSJQSA-N 2 0 234.347 1.392 20 0 BDADRP Cc1cc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])ncn1 ZINC000643476319 387547771 /nfs/dbraw/zinc/54/77/71/387547771.db2.gz ITWJYUQMRCYZLO-AAEUAGOBSA-N 2 0 234.347 1.392 20 0 BDADRP c1ccc2c(c1)CCC[C@@H]([NH2+]CC1C[NH2+]C1)C2 ZINC000643516539 387627849 /nfs/dbraw/zinc/62/78/49/387627849.db2.gz MDMCGCFQZQWBCW-OAHLLOKOSA-N 2 0 230.355 1.743 20 0 BDADRP CC[N@H+](C)CCNC(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000356223396 387630221 /nfs/dbraw/zinc/63/02/21/387630221.db2.gz NZSPQGJEKAHINY-NSHDSACASA-N 2 0 243.395 1.221 20 0 BDADRP CN(C)c1cccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000422720793 387632343 /nfs/dbraw/zinc/63/23/43/387632343.db2.gz TWNSGUKOISNBPX-DZGCQCFKSA-N 2 0 247.386 1.970 20 0 BDADRP C[C@@H]([NH2+]C[C@@]1(C)CCOC1)[C@H]1CCC[NH2+]1 ZINC000422725079 387634959 /nfs/dbraw/zinc/63/49/59/387634959.db2.gz ALJWLHPLVNZKSY-IJLUTSLNSA-N 2 0 212.337 1.143 20 0 BDADRP CC[NH+](CC)CCCN[C@@H]1CCC[C@H]1[NH3+] ZINC000422726888 387637076 /nfs/dbraw/zinc/63/70/76/387637076.db2.gz GEUTVFAARMYNRP-VXGBXAGGSA-N 2 0 213.369 1.188 20 0 BDADRP CCOCCC[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422732288 387639981 /nfs/dbraw/zinc/63/99/81/387639981.db2.gz PMFYYGBORFSVHG-NEPJUHHUSA-N 2 0 214.353 1.533 20 0 BDADRP C[C@H]1CC[NH2+]C[C@@H]1NCCc1ccccn1 ZINC000422733216 387640213 /nfs/dbraw/zinc/64/02/13/387640213.db2.gz QKVZQEYIIXIMLA-AAEUAGOBSA-N 2 0 219.332 1.212 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCC1CC[NH+](C)CC1 ZINC000422733654 387640285 /nfs/dbraw/zinc/64/02/85/387640285.db2.gz BQOPTWVTRPUSTL-VXGBXAGGSA-N 3 0 227.396 1.434 20 0 BDADRP CCCCOCCC[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422732146 387641734 /nfs/dbraw/zinc/64/17/34/387641734.db2.gz PBQUMOJTWOYWTA-NSHDSACASA-N 2 0 214.353 1.391 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccc(CO)c1 ZINC000422736566 387643167 /nfs/dbraw/zinc/64/31/67/387643167.db2.gz GOFWVVQGWZIDGH-WDEREUQCSA-N 2 0 222.332 1.394 20 0 BDADRP CC[NH+](CC)CCCN[C@@H]1C[NH2+]CC[C@H]1C ZINC000422736333 387643587 /nfs/dbraw/zinc/64/35/87/387643587.db2.gz VYKHDIKOKYYXFJ-CHWSQXEVSA-N 2 0 227.396 1.306 20 0 BDADRP C[NH+]1CCC(CC[NH2+]CC2(C)COC2)CC1 ZINC000125143758 387645788 /nfs/dbraw/zinc/64/57/88/387645788.db2.gz ZYHSISWGPVUKCV-UHFFFAOYSA-N 2 0 226.364 1.344 20 0 BDADRP CC[NH+](CC)CCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000422744862 387647517 /nfs/dbraw/zinc/64/75/17/387647517.db2.gz KYLVGYQWAXSRGO-CHWSQXEVSA-N 2 0 227.396 1.578 20 0 BDADRP C[C@@H](CCCCO)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000643518216 387648466 /nfs/dbraw/zinc/64/84/66/387648466.db2.gz FOWBEMPVVHXXKT-LBPRGKRZSA-N 2 0 228.380 1.517 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccnc(C)c2)C1 ZINC000527642061 387650282 /nfs/dbraw/zinc/65/02/82/387650282.db2.gz XEKSHERBFFIFDZ-AWEZNQCLSA-N 2 0 233.359 1.821 20 0 BDADRP CC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000430795689 387651370 /nfs/dbraw/zinc/65/13/70/387651370.db2.gz HKONPHPLPALHIG-UTUOFQBUSA-N 2 0 241.379 1.055 20 0 BDADRP CCCCC[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000422746695 387651626 /nfs/dbraw/zinc/65/16/26/387651626.db2.gz OHEBRSFNKYRBIC-GRYCIOLGSA-N 2 0 214.353 1.519 20 0 BDADRP Cc1cc(CC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])on1 ZINC000643489115 387652871 /nfs/dbraw/zinc/65/28/71/387652871.db2.gz XPUXEWCWOMMNHQ-CHWSQXEVSA-N 2 0 237.347 1.775 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422750336 387655448 /nfs/dbraw/zinc/65/54/48/387655448.db2.gz CTWLYAKQRNDCEE-HZSPNIEDSA-N 2 0 239.407 1.720 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)CN1CCC[C@@H](C)C1 ZINC000422753278 387658744 /nfs/dbraw/zinc/65/87/44/387658744.db2.gz FZQJTFRXWMFCNN-MGPQQGTHSA-N 2 0 241.423 1.824 20 0 BDADRP CSCCC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422757836 387660448 /nfs/dbraw/zinc/66/04/48/387660448.db2.gz NAEGPGOQEGBXJS-MNOVXSKESA-N 2 0 216.394 1.989 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCCNc1ccccc1 ZINC000422756476 387661081 /nfs/dbraw/zinc/66/10/81/387661081.db2.gz LNWPQPFTCUAZHM-ZIAGYGMSSA-N 2 0 233.359 1.958 20 0 BDADRP CSCCCC[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422757373 387661172 /nfs/dbraw/zinc/66/11/72/387661172.db2.gz MQPLYFRCCAJTCV-UWVGGRQHSA-N 2 0 202.367 1.599 20 0 BDADRP CC[C@H]([NH2+]CCCOC(C)C)[C@@H]1CCC[NH2+]1 ZINC000422759709 387661312 /nfs/dbraw/zinc/66/13/12/387661312.db2.gz LDUBJUSOJUEBAO-STQMWFEESA-N 2 0 228.380 1.922 20 0 BDADRP C[C@@H]([NH2+]CCOC1CCCCCC1)C1C[NH2+]C1 ZINC000422757643 387661501 /nfs/dbraw/zinc/66/15/01/387661501.db2.gz IRHYFWDCFZXHDP-GFCCVEGCSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NCC1([NH+](C)C)CCCCC1 ZINC000422765508 387665145 /nfs/dbraw/zinc/66/51/45/387665145.db2.gz WHORBECYMJMWLV-QWHCGFSZSA-N 2 0 241.423 1.966 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)c1cccnc1 ZINC000422764922 387665440 /nfs/dbraw/zinc/66/54/40/387665440.db2.gz OVKBLKXRNAJDOJ-DCAQKATOSA-N 2 0 207.321 1.858 20 0 BDADRP CC[N@@H+]1CCC[C@H]1CN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422764126 387665476 /nfs/dbraw/zinc/66/54/76/387665476.db2.gz UOBKQQRAOVDZPV-IHRRRGAJSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H]([NH2+]CCOc1ccccc1)C1C[NH2+]C1 ZINC000422768684 387667049 /nfs/dbraw/zinc/66/70/49/387667049.db2.gz ZNVPBUVRHMBZID-LLVKDONJSA-N 2 0 220.316 1.263 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400757582 387668885 /nfs/dbraw/zinc/66/88/85/387668885.db2.gz XLQNYODLPBOUSB-YNEHKIRRSA-N 2 0 225.380 1.201 20 0 BDADRP C[NH+](C)C[C@@](C)(O)C[NH2+]C1CCC2(CC2)CC1 ZINC000362912460 387670050 /nfs/dbraw/zinc/67/00/50/387670050.db2.gz LZUTXEZVSGOQOO-ZDUSSCGKSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H](C)N1CCC(C)CC1 ZINC000422775135 387673356 /nfs/dbraw/zinc/67/33/56/387673356.db2.gz AHBQMVDVXMQSKK-KBPBESRZSA-N 2 0 241.423 1.824 20 0 BDADRP COCCOCCC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422777237 387675639 /nfs/dbraw/zinc/67/56/39/387675639.db2.gz BTWRUTSDVWVNIT-STQMWFEESA-N 2 0 244.379 1.289 20 0 BDADRP Cc1ccccc1O[C@H](C)C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422778600 387676173 /nfs/dbraw/zinc/67/61/73/387676173.db2.gz AUYJLPKKPLGBMG-CHWSQXEVSA-N 2 0 248.370 1.960 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCCn1cccn1 ZINC000126258469 387676753 /nfs/dbraw/zinc/67/67/53/387676753.db2.gz PFBIVGJFELRKNE-STQMWFEESA-N 2 0 236.363 1.380 20 0 BDADRP CCCCOCC[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422779802 387678317 /nfs/dbraw/zinc/67/83/17/387678317.db2.gz JEHUULBTBOICLB-WDEREUQCSA-N 2 0 200.326 1.273 20 0 BDADRP CC(C)[C@H](O)CC[NH2+][C@@H](C)CCC[NH3+] ZINC000422779057 387678399 /nfs/dbraw/zinc/67/83/99/387678399.db2.gz IHEUUGWRIUZUOS-WDEREUQCSA-N 2 0 202.342 1.110 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1NCC1([NH+](C)C)CCCC1 ZINC000422781329 387681177 /nfs/dbraw/zinc/68/11/77/387681177.db2.gz ILYYKHBRWIFDEW-CHWSQXEVSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCCOCC1CC1 ZINC000422782229 387681605 /nfs/dbraw/zinc/68/16/05/387681605.db2.gz JPLHJQIFPTWLDH-GXTWGEPZSA-N 2 0 240.391 1.781 20 0 BDADRP COC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)C(C)C ZINC000126502254 387685239 /nfs/dbraw/zinc/68/52/39/387685239.db2.gz UXPOBKJQSAFYKD-ZIAGYGMSSA-N 2 0 242.407 1.979 20 0 BDADRP CC(C)[C@@H](O)CC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000422788114 387686741 /nfs/dbraw/zinc/68/67/41/387686741.db2.gz VGZBGBQAWVNOJL-NEPJUHHUSA-N 2 0 214.353 1.125 20 0 BDADRP C[NH+](C)C1(CN[C@@H]2CCC[C@@H]2[NH3+])CCCC1 ZINC000422786437 387688043 /nfs/dbraw/zinc/68/80/43/387688043.db2.gz ORQDCXIKGGNQAZ-NWDGAFQWSA-N 2 0 225.380 1.330 20 0 BDADRP C[C@@H](N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422743779 387688942 /nfs/dbraw/zinc/68/89/42/387688942.db2.gz RVJYPWFCLFLZBD-BZPMIXESSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCc1ccccc1 ZINC000422744015 387689297 /nfs/dbraw/zinc/68/92/97/387689297.db2.gz JONWPIXMNGEBLW-NWDGAFQWSA-N 2 0 206.333 1.945 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NCC1([NH+](C)C)CCCC1 ZINC000422788300 387690850 /nfs/dbraw/zinc/69/08/50/387690850.db2.gz RCBXESQDBZXKIE-NWDGAFQWSA-N 2 0 227.396 1.576 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422788462 387690881 /nfs/dbraw/zinc/69/08/81/387690881.db2.gz VLHISERQHSJCLD-HIFPTAJRSA-N 3 0 227.396 1.434 20 0 BDADRP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)C[C@H](C)O ZINC000422791201 387693796 /nfs/dbraw/zinc/69/37/96/387693796.db2.gz VQFJWXLPVWJUJJ-RHYQMDGZSA-N 2 0 214.353 1.124 20 0 BDADRP C[C@H](N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000422861058 387744516 /nfs/dbraw/zinc/74/45/16/387744516.db2.gz IWPSFOKHDXQSHP-FMSGJZPZSA-N 2 0 237.391 1.342 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000422865697 387746494 /nfs/dbraw/zinc/74/64/94/387746494.db2.gz PIMPWJOENGWABA-NNYUYHANSA-N 2 0 225.380 1.327 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CCN1CCC[C@@H](C)C1 ZINC000422867221 387746626 /nfs/dbraw/zinc/74/66/26/387746626.db2.gz RWMPZQBELKOWQO-CHWSQXEVSA-N 2 0 227.396 1.435 20 0 BDADRP CC1CC[NH+](CCN[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000422868056 387749481 /nfs/dbraw/zinc/74/94/81/387749481.db2.gz UFTMHTHHMZWAJC-OLZOCXBDSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[NH3+])N(C)c1ccccc1 ZINC000422870570 387750166 /nfs/dbraw/zinc/75/01/66/387750166.db2.gz YYHGCASHGKSWOF-BPLDGKMQSA-N 2 0 247.386 1.981 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@H]1CCC[NH2+]CC1 ZINC000422873144 387752061 /nfs/dbraw/zinc/75/20/61/387752061.db2.gz KFPWOXUBBHAWJX-MBNYWOFBSA-N 2 0 237.391 1.201 20 0 BDADRP CC[N@H+](CCN[C@H]1CCC[C@H]1[NH3+])C(C)C ZINC000422880129 387754357 /nfs/dbraw/zinc/75/43/57/387754357.db2.gz NIBGESIXTAVSLI-NEPJUHHUSA-N 2 0 213.369 1.186 20 0 BDADRP CC[C@H](C)C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000441370468 387754463 /nfs/dbraw/zinc/75/44/63/387754463.db2.gz HRSATYNLVLDLQE-ZDUSSCGKSA-N 2 0 241.423 1.648 20 0 BDADRP CO[C@H]1CCC[C@H]([NH2+]CC2=CC[NH2+]CC2)C1 ZINC000643520456 387700454 /nfs/dbraw/zinc/70/04/54/387700454.db2.gz KMDDXDACBLNCIJ-STQMWFEESA-N 2 0 224.348 1.453 20 0 BDADRP c1cnc2c(c1)CCC[C@H]2[NH2+]CC1=CC[NH2+]CC1 ZINC000643520549 387700850 /nfs/dbraw/zinc/70/08/50/387700850.db2.gz ZSHGSHUTYNYOAY-CQSZACIVSA-N 2 0 243.354 1.968 20 0 BDADRP CC(C)C[C@H](CCO)C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000422804889 387701350 /nfs/dbraw/zinc/70/13/50/387701350.db2.gz IFEDIEVIJCCXLO-MELADBBJSA-N 2 0 242.407 1.748 20 0 BDADRP C[C@H]1CC[NH2+]C[C@@H]1NCC[NH+]1CCCCCC1 ZINC000422807819 387706182 /nfs/dbraw/zinc/70/61/82/387706182.db2.gz NHCGVDSWGNCSMT-KBPBESRZSA-N 2 0 239.407 1.450 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000422810945 387707499 /nfs/dbraw/zinc/70/74/99/387707499.db2.gz SPPRGAXYSZDCFU-DMDPSCGWSA-N 2 0 234.343 1.706 20 0 BDADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCC1CCCC1 ZINC000422809287 387708601 /nfs/dbraw/zinc/70/86/01/387708601.db2.gz RRTWXIHIIUVAKS-YUTCNCBUSA-N 2 0 240.391 1.909 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCCn1cccn1 ZINC000422811539 387708627 /nfs/dbraw/zinc/70/86/27/387708627.db2.gz PCWYHJRGOJUBKW-OLZOCXBDSA-N 2 0 236.363 1.523 20 0 BDADRP C[C@H]1CC[NH2+]C[C@@H]1NCC[NH+]1CCCCC1 ZINC000422808653 387708700 /nfs/dbraw/zinc/70/87/00/387708700.db2.gz LHKGKYXMFHNENW-STQMWFEESA-N 2 0 225.380 1.060 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CCC[C@@H]1[NH3+])C(C)(C)C ZINC000422811562 387708994 /nfs/dbraw/zinc/70/89/94/387708994.db2.gz PEDUGZJXCRPAOK-GARJFASQSA-N 2 0 214.353 1.517 20 0 BDADRP CCCCOCCOCC[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422813155 387710759 /nfs/dbraw/zinc/71/07/59/387710759.db2.gz XPTWUWWMPTVCAH-QWHCGFSZSA-N 2 0 244.379 1.289 20 0 BDADRP CCC[N@H+](CC)CCN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000422818302 387713528 /nfs/dbraw/zinc/71/35/28/387713528.db2.gz GBAFMISQXBYMMS-QWHCGFSZSA-N 2 0 227.396 1.306 20 0 BDADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC1CC1 ZINC000422816667 387713622 /nfs/dbraw/zinc/71/36/22/387713622.db2.gz FQUQEGRYEHRSOM-VIFPVBQESA-N 2 0 219.332 1.909 20 0 BDADRP C1C[C@H]2CC(N[C@H]3CC[N@@H+]4CCCC[C@H]34)C[C@@H]1[NH2+]2 ZINC000422879739 387755408 /nfs/dbraw/zinc/75/54/08/387755408.db2.gz KYBZLSBMZUZCPZ-FIBILERRSA-N 2 0 249.402 1.486 20 0 BDADRP C[C@H]([NH2+]C[C@@]1(C)CCCC[C@H]1O)[C@@H]1CCC[NH2+]1 ZINC000422826354 387720941 /nfs/dbraw/zinc/72/09/41/387720941.db2.gz QVOCRZRFVRNYCS-IGQOVBAYSA-N 2 0 240.391 1.658 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000452071835 387724943 /nfs/dbraw/zinc/72/49/43/387724943.db2.gz SIQVKLFOPMJSFY-OLZOCXBDSA-N 2 0 228.380 1.421 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000422832318 387725290 /nfs/dbraw/zinc/72/52/90/387725290.db2.gz FPVPQORVWAHLCN-SYQHCUMBSA-N 2 0 239.407 1.447 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCc1cc(F)cc(F)c1 ZINC000422844257 387730657 /nfs/dbraw/zinc/73/06/57/387730657.db2.gz LIGWSAUVRFLXAL-STQMWFEESA-N 2 0 240.297 1.977 20 0 BDADRP CC(C)[C@H](O)CC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422789772 387731339 /nfs/dbraw/zinc/73/13/39/387731339.db2.gz WYTSWMAZJQPLPX-FRRDWIJNSA-N 2 0 228.380 1.371 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])C1(C)C ZINC000422850836 387734085 /nfs/dbraw/zinc/73/40/85/387734085.db2.gz OFDPRBHWTTVWKQ-XWLWVQCSSA-N 2 0 214.353 1.515 20 0 BDADRP Cn1cc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000128075173 387734565 /nfs/dbraw/zinc/73/45/65/387734565.db2.gz ZMGNWTREFRXLQG-UONOGXRCSA-N 2 0 248.374 1.179 20 0 BDADRP CO[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1(C)C ZINC000422852703 387736727 /nfs/dbraw/zinc/73/67/27/387736727.db2.gz RDBQETJDAOUJQK-RSMQCKGYSA-N 2 0 238.375 1.673 20 0 BDADRP CC[N@H+](CCN[C@@H](C)c1c[nH+]ccc1N)C1CC1 ZINC000422878754 387755987 /nfs/dbraw/zinc/75/59/87/387755987.db2.gz KNTVJQTZFVUNIW-NSHDSACASA-N 2 0 248.374 1.629 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CCN1CCC[C@H](C)C1 ZINC000422854382 387738201 /nfs/dbraw/zinc/73/82/01/387738201.db2.gz CPUGTTKWTCBJTG-KBPBESRZSA-N 2 0 241.423 1.825 20 0 BDADRP C[NH+](C)CCNc1cc[nH+]cc1-c1cccnc1 ZINC000367664644 387740602 /nfs/dbraw/zinc/74/06/02/387740602.db2.gz GGMSWBGOMLAKDK-UHFFFAOYSA-N 2 0 242.326 1.539 20 0 BDADRP C[C@@H]1CCCC[N@@H+]1CCN[C@H]1CCC[C@H]1C[NH3+] ZINC000422859043 387741101 /nfs/dbraw/zinc/74/11/01/387741101.db2.gz JLZZOSQWQXNHBM-RDBSUJKOSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NCC[N@@H+]1CCCC[C@H]1C ZINC000422856806 387742087 /nfs/dbraw/zinc/74/20/87/387742087.db2.gz GPHXAMFQOMEBPD-RWMBFGLXSA-N 2 0 227.396 1.576 20 0 BDADRP C[C@H](NCC[NH+]1[C@@H](C)CCC[C@@H]1C)C1C[NH2+]C1 ZINC000422892430 387763775 /nfs/dbraw/zinc/76/37/75/387763775.db2.gz YNYLHUIDMYPZCY-AVGNSLFASA-N 2 0 239.407 1.447 20 0 BDADRP CC[C@H]([NH2+]CC[C@H](C)OC)[C@@H]1CCC[NH2+]1 ZINC000422908850 387769401 /nfs/dbraw/zinc/76/94/01/387769401.db2.gz ZQFNEOFPMCPMEV-SRVKXCTJSA-N 2 0 214.353 1.532 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CN[C@H](C)C[C@@H](C)[NH3+] ZINC000422910280 387770156 /nfs/dbraw/zinc/77/01/56/387770156.db2.gz QDIWCILGBBICFQ-JHJVBQTASA-N 2 0 227.396 1.576 20 0 BDADRP FCCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000378168223 387770415 /nfs/dbraw/zinc/77/04/15/387770415.db2.gz JWEBLTMYTTVWSF-JHJVBQTASA-N 2 0 226.339 1.762 20 0 BDADRP CCN1CCCC[C@@H]1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000422911859 387770991 /nfs/dbraw/zinc/77/09/91/387770991.db2.gz UOQUHBNBBUOJHS-UONOGXRCSA-N 2 0 241.423 1.968 20 0 BDADRP CCn1cc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)cn1 ZINC000422913203 387771754 /nfs/dbraw/zinc/77/17/54/387771754.db2.gz PJIWHJHHWODSPF-WCQYABFASA-N 2 0 236.363 1.381 20 0 BDADRP C[C@H]([NH3+])C[NH2+]C1CCC2(CCOCC2)CC1 ZINC000643528816 387772113 /nfs/dbraw/zinc/77/21/13/387772113.db2.gz PGJQRCLLYUDNDE-NSHDSACASA-N 2 0 226.364 1.663 20 0 BDADRP CC[C@@H](O)CCC[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422915501 387773540 /nfs/dbraw/zinc/77/35/40/387773540.db2.gz BCLOYMSLWBPCJC-AGIUHOORSA-N 2 0 228.380 1.658 20 0 BDADRP C[C@@H]([NH3+])C[NH2+]C1CCc2ccccc2CC1 ZINC000643529854 387774870 /nfs/dbraw/zinc/77/48/70/387774870.db2.gz ROXGMWZWZKBALT-LLVKDONJSA-N 2 0 218.344 1.871 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@H]1Cc1ccccc1)C1C[NH2+]C1 ZINC000422921881 387778059 /nfs/dbraw/zinc/77/80/59/387778059.db2.gz PIYIVVFBJUFPBD-NJZAAPMLSA-N 2 0 230.355 1.815 20 0 BDADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCC(C)(C)C ZINC000422925922 387779207 /nfs/dbraw/zinc/77/92/07/387779207.db2.gz BWUJKIULOOOYEQ-QJPTWQEYSA-N 2 0 228.380 1.765 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CN[C@@H]1CCC[C@@H]1[NH3+] ZINC000422902036 387787065 /nfs/dbraw/zinc/78/70/65/387787065.db2.gz COAZESYODFHXKH-FRRDWIJNSA-N 2 0 225.380 1.330 20 0 BDADRP C[C@@H](C[C@@H]1CCCO1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422902765 387787214 /nfs/dbraw/zinc/78/72/14/387787214.db2.gz NMBNHLHZJBMVRC-MWWBDVBNSA-N 2 0 238.375 1.817 20 0 BDADRP C[C@@H](NC[C@H]1CCC[N@@H+]1C)[C@@H]1CCCC[NH2+]1 ZINC000422901526 387787608 /nfs/dbraw/zinc/78/76/08/387787608.db2.gz LFZCXGQSDWFIDM-UPJWGTAASA-N 2 0 225.380 1.201 20 0 BDADRP CCC[C@@](C)(O)C[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422979110 387789464 /nfs/dbraw/zinc/78/94/64/387789464.db2.gz LHQSOFBGXOUETK-RWMBFGLXSA-N 2 0 228.380 1.658 20 0 BDADRP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422983521 387792992 /nfs/dbraw/zinc/79/29/92/387792992.db2.gz ZTQFHDJPWAXFFP-UPJWGTAASA-N 2 0 228.380 1.643 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@](C)(O)C1CC1 ZINC000422982434 387794407 /nfs/dbraw/zinc/79/44/07/387794407.db2.gz WTQBQBZXBKCTEM-KGYLQXTDSA-N 2 0 226.364 1.125 20 0 BDADRP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])CCO1 ZINC000422985361 387795507 /nfs/dbraw/zinc/79/55/07/387795507.db2.gz DKEQRJVCSDOLES-CYDGBPFRSA-N 2 0 228.380 1.905 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CC1(CCO)CCC1 ZINC000422986530 387796573 /nfs/dbraw/zinc/79/65/73/387796573.db2.gz CQCXJKHVBGUXDB-LBPRGKRZSA-N 2 0 228.380 1.646 20 0 BDADRP C[C@H]([NH2+]CC1(CCO)CCC1)[C@H]1CCC[NH2+]1 ZINC000422989204 387797341 /nfs/dbraw/zinc/79/73/41/387797341.db2.gz KUPAWJRMHXBUCV-NWDGAFQWSA-N 2 0 226.364 1.269 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CCOc1ncccc1F ZINC000422990925 387799432 /nfs/dbraw/zinc/79/94/32/387799432.db2.gz AKKQGFLVKTWTMF-JTQLQIEISA-N 2 0 241.310 1.317 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC12CC(C1)CO2 ZINC000527982544 387799465 /nfs/dbraw/zinc/79/94/65/387799465.db2.gz SVJDTKARMJNEAC-WCCYQHBJSA-N 2 0 238.375 1.484 20 0 BDADRP COc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cn1 ZINC000422964043 387813170 /nfs/dbraw/zinc/81/31/70/387813170.db2.gz KHQZDZCLZYZCTM-YPMHNXCESA-N 2 0 249.358 1.568 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)CCO1 ZINC000422990521 387800899 /nfs/dbraw/zinc/80/08/99/387800899.db2.gz NREYJSZINLYVIY-MQYQWHSLSA-N 2 0 240.391 1.920 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCOc1ncccc1F ZINC000422992977 387800914 /nfs/dbraw/zinc/80/09/14/387800914.db2.gz DQWARZQNWQHSEY-NXEZZACHSA-N 2 0 241.310 1.315 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC1(CCO)CCC1 ZINC000422995506 387802479 /nfs/dbraw/zinc/80/24/79/387802479.db2.gz YETPUTUIHFLPRO-CHWSQXEVSA-N 2 0 240.391 1.789 20 0 BDADRP CC[C@H](C[NH2+][C@H](C)CCCC[NH3+])N1CCCC1 ZINC000422962880 387813240 /nfs/dbraw/zinc/81/32/40/387813240.db2.gz GXVGATFUECMVFM-ZIAGYGMSSA-N 2 0 241.423 1.968 20 0 BDADRP CC(C)C[N@@H+]1CCCC[C@@H]1CN[C@H]1CC[NH2+]C1 ZINC000422997887 387804749 /nfs/dbraw/zinc/80/47/49/387804749.db2.gz OYCDGVCRKYDTFS-UONOGXRCSA-N 2 0 239.407 1.448 20 0 BDADRP COc1cccc(C[C@@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)c1 ZINC000422952227 387807812 /nfs/dbraw/zinc/80/78/12/387807812.db2.gz AMKXEKHINKBETA-NEPJUHHUSA-N 2 0 248.370 1.824 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1ccco1 ZINC000422963128 387813506 /nfs/dbraw/zinc/81/35/06/387813506.db2.gz HPBJKKBRWDEBSN-YPMHNXCESA-N 2 0 222.332 1.800 20 0 BDADRP CC[N@H+](CCN[C@@H]1CC[NH2+]CC[C@H]1C)C1CC1 ZINC000422876970 387756704 /nfs/dbraw/zinc/75/67/04/387756704.db2.gz GZWOECFOXCBDKJ-TZMCWYRMSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H](N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422880917 387758136 /nfs/dbraw/zinc/75/81/36/387758136.db2.gz XUEMCGTWQYRBRU-RFHZTLPTSA-N 2 0 237.391 1.199 20 0 BDADRP CC(C)[N@H+](C)CCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422882526 387758552 /nfs/dbraw/zinc/75/85/52/387758552.db2.gz SMNSRPVSWGNUNQ-CHWSQXEVSA-N 2 0 227.396 1.304 20 0 BDADRP C[C@@H](N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422880915 387758561 /nfs/dbraw/zinc/75/85/61/387758561.db2.gz XUEMCGTWQYRBRU-MHDGFBEUSA-N 2 0 237.391 1.199 20 0 BDADRP C[C@H]1CC[NH2+]C[C@@H]1NCCOCC1CC1 ZINC000422889017 387761123 /nfs/dbraw/zinc/76/11/23/387761123.db2.gz ONZNCENIBCQCQF-JQWIXIFHSA-N 2 0 212.337 1.001 20 0 BDADRP C[C@H]([NH3+])CN(C)[C@H](CCO)c1ccccc1 ZINC000442667426 387819879 /nfs/dbraw/zinc/81/98/79/387819879.db2.gz ZQOYZQACKYZDSV-WCQYABFASA-N 2 0 222.332 1.389 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422972840 387820654 /nfs/dbraw/zinc/82/06/54/387820654.db2.gz ANCDVHPXCVJNHB-WOPDTQHZSA-N 2 0 214.353 1.125 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422974924 387824169 /nfs/dbraw/zinc/82/41/69/387824169.db2.gz FRWGVBSFHRTPDT-MXWKQRLJSA-N 2 0 202.342 1.253 20 0 BDADRP CC(C)[C@H](O)C(C)(C)C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000423003206 387826511 /nfs/dbraw/zinc/82/65/11/387826511.db2.gz LBNSGFVCELLGCS-AGIUHOORSA-N 2 0 242.407 1.747 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000442714041 387827180 /nfs/dbraw/zinc/82/71/80/387827180.db2.gz KLYJGWPVTLIAHY-TUAOUCFPSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCN(C)c1ccccc1 ZINC000442765891 387835373 /nfs/dbraw/zinc/83/53/73/387835373.db2.gz KATQLMUJOFGHAI-KBPBESRZSA-N 2 0 247.386 1.792 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(N(C)C)n1 ZINC000423015962 387838555 /nfs/dbraw/zinc/83/85/55/387838555.db2.gz RYLNROVSSUHYDC-QWRGUYRKSA-N 2 0 236.363 1.363 20 0 BDADRP CO[C@@H]1CCC[C@H]1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423015358 387838688 /nfs/dbraw/zinc/83/86/88/387838688.db2.gz KMSXIKURVNJKTD-WUHRBBMRSA-N 2 0 226.364 1.532 20 0 BDADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423015356 387839481 /nfs/dbraw/zinc/83/94/81/387839481.db2.gz KMSXIKURVNJKTD-QNWHQSFQSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@H]([NH2+][C@H]1CCO[C@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000423017875 387840455 /nfs/dbraw/zinc/84/04/55/387840455.db2.gz PSJWPCNQLTZBIR-MROQNXINSA-N 2 0 226.364 1.674 20 0 BDADRP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H](C)C2C[NH2+]C2)C1(C)C ZINC000423016691 387840752 /nfs/dbraw/zinc/84/07/52/387840752.db2.gz NEOXOUWVCBWLHA-LLHIFLOGSA-N 2 0 226.364 1.243 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCC[C@@H]1OC ZINC000423019592 387841324 /nfs/dbraw/zinc/84/13/24/387841324.db2.gz WGNXZDPZEQPMEX-AGIUHOORSA-N 2 0 244.379 1.145 20 0 BDADRP CC[C@H]([NH2+]CC1(C)CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000423025054 387843751 /nfs/dbraw/zinc/84/37/51/387843751.db2.gz NILZYFXEQJCEFA-STQMWFEESA-N 2 0 240.391 1.923 20 0 BDADRP CC[C@H]([NH2+]CC1(CO)CCC1)[C@@H]1CCC[NH2+]1 ZINC000423029299 387845440 /nfs/dbraw/zinc/84/54/40/387845440.db2.gz IAQDOZJBCBJNIK-RYUDHWBXSA-N 2 0 226.364 1.269 20 0 BDADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCC[C@H]2C[NH3+])CCO1 ZINC000423030453 387846721 /nfs/dbraw/zinc/84/67/21/387846721.db2.gz JUVSESYGVVNYLC-YIYPIFLZSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](CO)CC1CCCC1 ZINC000423032216 387849029 /nfs/dbraw/zinc/84/90/29/387849029.db2.gz XWSQARFRKWMVKL-DMDPSCGWSA-N 2 0 228.380 1.643 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](CO)CC1CCCC1 ZINC000423032218 387849222 /nfs/dbraw/zinc/84/92/22/387849222.db2.gz XWSQARFRKWMVKL-GMXVVIOVSA-N 2 0 228.380 1.643 20 0 BDADRP Cc1ncc(C[NH2+][C@H](C)CCCC[NH3+])c(=O)[nH]1 ZINC000423036974 387850565 /nfs/dbraw/zinc/85/05/65/387850565.db2.gz VFCIYHRPDGITRV-SECBINFHSA-N 2 0 238.335 1.098 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC[C@@H]1CCO[C@@H](C)C1 ZINC000423036531 387850940 /nfs/dbraw/zinc/85/09/40/387850940.db2.gz UGTUCRUDNYMTQH-ZDEQEGDKSA-N 2 0 228.380 1.907 20 0 BDADRP CC1=CCN(CC[NH2+][C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000423039144 387853779 /nfs/dbraw/zinc/85/37/79/387853779.db2.gz PXZPMTDXTHEKLU-CHWSQXEVSA-N 2 0 223.364 1.108 20 0 BDADRP CC(C)OCC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000423041134 387855543 /nfs/dbraw/zinc/85/55/43/387855543.db2.gz WDZZBMRSYUMCPZ-VXGBXAGGSA-N 2 0 214.353 1.389 20 0 BDADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCCO1 ZINC000423043940 387855808 /nfs/dbraw/zinc/85/58/08/387855808.db2.gz QEGSGEZCKZNPCH-MWWBDVBNSA-N 2 0 238.375 1.817 20 0 BDADRP Cc1nccn1CC[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000235792529 387858954 /nfs/dbraw/zinc/85/89/54/387858954.db2.gz CBTMZVCGBROSMO-QWHCGFSZSA-N 2 0 235.331 1.349 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)CN1CCCCCC1 ZINC000423055455 387862234 /nfs/dbraw/zinc/86/22/34/387862234.db2.gz WCZWQZFLVCRKQH-ZIAGYGMSSA-N 2 0 241.423 1.968 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000423003098 387863587 /nfs/dbraw/zinc/86/35/87/387863587.db2.gz GXMKXSXESSLCGA-LPWJVIDDSA-N 2 0 226.364 1.255 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000423060697 387864019 /nfs/dbraw/zinc/86/40/19/387864019.db2.gz PASANMSELWYRJS-RGDJUOJXSA-N 2 0 238.375 1.532 20 0 BDADRP [NH3+]CC1CCC([NH2+]CCOCC(F)F)CC1 ZINC000423067735 387869042 /nfs/dbraw/zinc/86/90/42/387869042.db2.gz IEFHDPTXFFZOLC-UHFFFAOYSA-N 2 0 236.306 1.375 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCOCC(F)F ZINC000423072909 387874713 /nfs/dbraw/zinc/87/47/13/387874713.db2.gz QNLSFAUEDXHHMX-VHSXEESVSA-N 2 0 236.306 1.518 20 0 BDADRP CC[C@@H]([NH2+]CCC(C)(C)O)[C@@H]1CCC[NH2+]1 ZINC000423065904 387869340 /nfs/dbraw/zinc/86/93/40/387869340.db2.gz VOHUBXDLFZBMAJ-MNOVXSKESA-N 2 0 214.353 1.268 20 0 BDADRP CC(C)[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])C(C)(C)O ZINC000423068265 387870173 /nfs/dbraw/zinc/87/01/73/387870173.db2.gz BIZMPDLJWWTZGG-AXFHLTTASA-N 2 0 216.369 1.497 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000423065320 387870197 /nfs/dbraw/zinc/87/01/97/387870197.db2.gz UBQONFUTLYKTHR-KXNHARMFSA-N 2 0 226.364 1.124 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCOC(F)(F)F ZINC000423067919 387870303 /nfs/dbraw/zinc/87/03/03/387870303.db2.gz ISWUYWOLHPJKOT-RKDXNWHRSA-N 2 0 240.269 1.501 20 0 BDADRP CCOC[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])C(C)C ZINC000423071154 387871139 /nfs/dbraw/zinc/87/11/39/387871139.db2.gz OCOVSXUUSMLGHR-WOPDTQHZSA-N 2 0 216.369 1.763 20 0 BDADRP C[C@H](NC[C@@H]1CCCC[N@@H+]1C1CC1)C1C[NH2+]C1 ZINC000423069741 387871451 /nfs/dbraw/zinc/87/14/51/387871451.db2.gz BSKUBOJFAWAYJV-FZMZJTMJSA-N 2 0 237.391 1.201 20 0 BDADRP CC1(C)CCC[N@H+](CCN[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000423070516 387871528 /nfs/dbraw/zinc/87/15/28/387871528.db2.gz CYLYFIVCZFSKIJ-QWHCGFSZSA-N 2 0 239.407 1.578 20 0 BDADRP CO[C@@H]1CC[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])C1 ZINC000423069039 387871890 /nfs/dbraw/zinc/87/18/90/387871890.db2.gz LIABQFNUOBZGQH-XWLWVQCSSA-N 2 0 200.326 1.269 20 0 BDADRP CCOc1ncccc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000422962865 387813949 /nfs/dbraw/zinc/81/39/49/387813949.db2.gz GVONDPOANDIATG-DGCLKSJQSA-N 2 0 249.358 1.697 20 0 BDADRP C[C@H]([NH3+])CN1CC[C@H](Cc2ccccc2)C1 ZINC000442659411 387814666 /nfs/dbraw/zinc/81/46/66/387814666.db2.gz KMUBIIRZYIBXAK-GXTWGEPZSA-N 2 0 218.344 1.898 20 0 BDADRP CC(C)[C@H](CN[C@@H]1CCC[C@H]1[NH3+])[NH+]1CCCC1 ZINC000422965226 387814851 /nfs/dbraw/zinc/81/48/51/387814851.db2.gz OAANIULYFJDDID-MCIONIFRSA-N 2 0 239.407 1.576 20 0 BDADRP C[C@@H]([NH3+])CN1CC[NH+](CCc2ccccc2)CC1 ZINC000442663090 387816215 /nfs/dbraw/zinc/81/62/15/387816215.db2.gz RFCYMFBFUZAVAV-CQSZACIVSA-N 2 0 247.386 1.194 20 0 BDADRP CCC(CC)(CO)C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423002879 387817982 /nfs/dbraw/zinc/81/79/82/387817982.db2.gz KFWFSSHTSKDJHR-WDEREUQCSA-N 2 0 216.369 1.501 20 0 BDADRP C[C@H](C[NH2+]C1CCCC1)N1CC[NH+](C)CC1 ZINC000053486240 387818212 /nfs/dbraw/zinc/81/82/12/387818212.db2.gz ZFMYSSXJFVLRHX-GFCCVEGCSA-N 2 0 225.380 1.155 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000422968404 387818115 /nfs/dbraw/zinc/81/81/15/387818115.db2.gz WTDUYZNFDNKONJ-KBPBESRZSA-N 2 0 241.423 1.694 20 0 BDADRP CCC(CC)[C@H](CN[C@@H](C)C1C[NH2+]C1)[NH+](C)C ZINC000422968618 387818190 /nfs/dbraw/zinc/81/81/90/387818190.db2.gz XIINRNYRONZRHK-FZMZJTMJSA-N 2 0 241.423 1.550 20 0 BDADRP CC[N@@H+]1CC[C@H](N(C)C[C@@H](C)[NH3+])C[C@@H]1C ZINC000442666665 387818526 /nfs/dbraw/zinc/81/85/26/387818526.db2.gz VWGNDIYRABCNMW-WOPDTQHZSA-N 2 0 213.369 1.138 20 0 BDADRP CCC(CC)[C@H](CN[C@@H]1CCC[C@H]1[NH3+])[NH+](C)C ZINC000422968377 387819478 /nfs/dbraw/zinc/81/94/78/387819478.db2.gz WOYGITPDIKAEJA-MCIONIFRSA-N 2 0 241.423 1.822 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CC[C@@H](C)C1 ZINC000423105687 387890643 /nfs/dbraw/zinc/89/06/43/387890643.db2.gz ZHQFCQGEBQHTAS-PEBLQZBPSA-N 2 0 240.391 1.765 20 0 BDADRP C[C@H]([NH2+]CCC1(F)CCC1)[C@@H]1CCC[NH2+]1 ZINC000423110250 387894029 /nfs/dbraw/zinc/89/40/29/387894029.db2.gz PADNXBYNHDRIRP-QWRGUYRKSA-N 2 0 214.328 1.999 20 0 BDADRP CC[C@@H]([NH2+]C[C@@H](CO)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000423111185 387894206 /nfs/dbraw/zinc/89/42/06/387894206.db2.gz QDOKYMNMJLETBX-XQQFMLRXSA-N 2 0 228.380 1.371 20 0 BDADRP C[C@H]([NH2+][C@@H]1CSC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423114498 387896500 /nfs/dbraw/zinc/89/65/00/387896500.db2.gz VYXGLHMQLKNAIT-VPOLOUISSA-N 2 0 214.378 1.468 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000423083279 387878309 /nfs/dbraw/zinc/87/83/09/387878309.db2.gz FSPGTWMHTICAGB-XQQFMLRXSA-N 2 0 241.423 1.822 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000423083278 387878901 /nfs/dbraw/zinc/87/89/01/387878901.db2.gz FSPGTWMHTICAGB-RWMBFGLXSA-N 2 0 241.423 1.822 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1CCSC1)[C@@H]1CCC[NH2+]1 ZINC000423084804 387878967 /nfs/dbraw/zinc/87/89/67/387878967.db2.gz IZCZVYVLYZQVSZ-SRVKXCTJSA-N 2 0 228.405 1.860 20 0 BDADRP [NH3+]CC1CCC([NH2+]C[C@H]2CCSC2)CC1 ZINC000423089165 387881073 /nfs/dbraw/zinc/88/10/73/387881073.db2.gz ULMHYTFPAPHXKM-MOENNCHZSA-N 2 0 228.405 1.847 20 0 BDADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])C1 ZINC000423092838 387882427 /nfs/dbraw/zinc/88/24/27/387882427.db2.gz DPWGNUYRFPDBQR-YFKTTZPYSA-N 2 0 242.363 1.434 20 0 BDADRP C[C@H]([NH2+][C@H](CO)CCC(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000423092936 387883113 /nfs/dbraw/zinc/88/31/13/387883113.db2.gz DXLVETXJIFTYTP-XQQFMLRXSA-N 2 0 242.407 1.761 20 0 BDADRP COCC1(C[NH2+][C@@H](C)C[C@H](C)[NH3+])CCC1 ZINC000423117075 387898710 /nfs/dbraw/zinc/89/87/10/387898710.db2.gz SUVGTCBJSCTUKQ-QWRGUYRKSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](CO)CCC(C)(C)C ZINC000423099888 387886759 /nfs/dbraw/zinc/88/67/59/387886759.db2.gz UOFJQFOHSOVHNM-QJPTWQEYSA-N 2 0 230.396 1.889 20 0 BDADRP CC(C)SCC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000423099768 387886794 /nfs/dbraw/zinc/88/67/94/387886794.db2.gz AYRKPPJCROVKPF-QJPTWQEYSA-N 2 0 246.420 1.470 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CC(C)(C)C[C@H](C)O ZINC000393689805 387888038 /nfs/dbraw/zinc/88/80/38/387888038.db2.gz DNKQZPWOZJUMGF-NEPJUHHUSA-N 2 0 230.396 1.891 20 0 BDADRP [NH3+]C[C@H]1C[N@H+](C[C@H]2CCC(F)(F)C2)CCCO1 ZINC000313357064 387888606 /nfs/dbraw/zinc/88/86/06/387888606.db2.gz SUVQLGVAMIOWQA-QWRGUYRKSA-N 2 0 248.317 1.471 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1CCCSC1 ZINC000423119580 387901208 /nfs/dbraw/zinc/90/12/08/387901208.db2.gz DYXZRWGYTRIOTO-HBNTYKKESA-N 2 0 216.394 1.845 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc2cc[nH]c2n1 ZINC000423124733 387902874 /nfs/dbraw/zinc/90/28/74/387902874.db2.gz OXXOKAJIRCOMRK-JTQLQIEISA-N 2 0 232.331 1.780 20 0 BDADRP C1CC1C([NH2+][C@@H]1CCC[NH2+]CC1)C1CC1 ZINC000168709858 387904521 /nfs/dbraw/zinc/90/45/21/387904521.db2.gz HGOMFZNNIHBKKV-GFCCVEGCSA-N 2 0 208.349 1.907 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000423125679 387904836 /nfs/dbraw/zinc/90/48/36/387904836.db2.gz NVVOSTSGDUTHPH-KKOKHZNYSA-N 2 0 214.328 1.855 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CC[C@@H](F)C1 ZINC000423125682 387906027 /nfs/dbraw/zinc/90/60/27/387906027.db2.gz NVVOSTSGDUTHPH-WYUUTHIRSA-N 2 0 214.328 1.855 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1COc2ccccc21 ZINC000423129610 387906844 /nfs/dbraw/zinc/90/68/44/387906844.db2.gz XGJSLCAZMGDVPJ-SDDRHHMPSA-N 2 0 234.343 1.878 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c1cc[nH]c(=O)c1 ZINC000423131755 387909245 /nfs/dbraw/zinc/90/92/45/387909245.db2.gz IKQYVZSMZGIQFZ-LPEHRKFASA-N 2 0 223.320 1.564 20 0 BDADRP C[C@H](F)CC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423131763 387909783 /nfs/dbraw/zinc/90/97/83/387909783.db2.gz ILXQYKAYUCXGMR-HBNTYKKESA-N 2 0 202.317 1.842 20 0 BDADRP COCC1(CC[NH2+][C@H]2CCC[C@H]2C[NH3+])CCC1 ZINC000423135618 387913309 /nfs/dbraw/zinc/91/33/09/387913309.db2.gz OBJGBPXBAGJQAM-STQMWFEESA-N 2 0 240.391 1.910 20 0 BDADRP C[C@H](CCO)CC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000423142917 387919857 /nfs/dbraw/zinc/91/98/57/387919857.db2.gz BQERAFJCXLMNNF-AVGNSLFASA-N 2 0 228.380 1.645 20 0 BDADRP CC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)OC ZINC000423137087 387913507 /nfs/dbraw/zinc/91/35/07/387913507.db2.gz HORJWNLCRXOVCG-AYLPWXGPSA-N 2 0 212.337 1.284 20 0 BDADRP C[C@@H]([NH2+]CC[C@H](C)F)[C@H]1CCCC[NH2+]1 ZINC000423135277 387914642 /nfs/dbraw/zinc/91/46/42/387914642.db2.gz NFBGQIPFNVCHRG-HBNTYKKESA-N 2 0 202.317 1.855 20 0 BDADRP COCC1(CC[NH2+][C@@H](C)CCC[NH3+])CCC1 ZINC000423138489 387915908 /nfs/dbraw/zinc/91/59/08/387915908.db2.gz SYPCEAHHTRUENA-LBPRGKRZSA-N 2 0 228.380 1.910 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H](CO)C1CCCCC1 ZINC000423138798 387916380 /nfs/dbraw/zinc/91/63/80/387916380.db2.gz UDTLETZVNUDORD-MJBXVCDLSA-N 2 0 240.391 1.645 20 0 BDADRP CC[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)OC ZINC000423137976 387916680 /nfs/dbraw/zinc/91/66/80/387916680.db2.gz IMPZIEKREVQLQF-MCIGGMRASA-N 2 0 214.353 1.519 20 0 BDADRP OC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCC1 ZINC000423137934 387917187 /nfs/dbraw/zinc/91/71/87/387917187.db2.gz IJTLQZVOVGBOQM-QNMSZWNNSA-N 2 0 238.375 1.410 20 0 BDADRP CC(C)(O)C(C)(C)C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000423154816 387934921 /nfs/dbraw/zinc/93/49/21/387934921.db2.gz JYAUPMYJAFKQKF-ZJUUUORDSA-N 2 0 214.353 1.253 20 0 BDADRP CC[C@H]([NH2+]C[C@H](CO)C1CC1)[C@H]1CCCC[NH2+]1 ZINC000423143578 387920809 /nfs/dbraw/zinc/92/08/09/387920809.db2.gz XKQHVDNSNPEDLE-HZSPNIEDSA-N 2 0 240.391 1.515 20 0 BDADRP CCC[N@H+](CC)C[C@@H](C)N[C@@H]1CCC[C@@H]1[NH3+] ZINC000423144667 387920824 /nfs/dbraw/zinc/92/08/24/387920824.db2.gz ZJDCDAMNVSYKNE-FRRDWIJNSA-N 2 0 227.396 1.576 20 0 BDADRP C[C@@H]([NH2+][C@H](CO)C1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000423143529 387920940 /nfs/dbraw/zinc/92/09/40/387920940.db2.gz XBOHWZAOIBTCFG-KGYLQXTDSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@H]1F)[C@@H]1CC[NH2+]C1 ZINC000423147476 387924558 /nfs/dbraw/zinc/92/45/58/387924558.db2.gz SECPRWXSCBYXCF-ZDCRXTMVSA-N 2 0 200.301 1.465 20 0 BDADRP COC[C@](C)(O)CC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000423147947 387924846 /nfs/dbraw/zinc/92/48/46/387924846.db2.gz UCWWMTAPCFJLDG-JHJVBQTASA-N 2 0 244.379 1.024 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC000423157623 387937145 /nfs/dbraw/zinc/93/71/45/387937145.db2.gz BHGFTUDYXOHAKT-YFKTTZPYSA-N 2 0 212.337 1.271 20 0 BDADRP F[C@H]1CCC[C@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000423148811 387928351 /nfs/dbraw/zinc/92/83/51/387928351.db2.gz WOIGKHNCAVFNGL-OUAUKWLOSA-N 2 0 200.301 1.609 20 0 BDADRP CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423167960 387952414 /nfs/dbraw/zinc/95/24/14/387952414.db2.gz SXMLKLHMEIPSFY-IRCOFANPSA-N 2 0 214.353 1.659 20 0 BDADRP COCC[C@H](C)C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000423171286 387955950 /nfs/dbraw/zinc/95/59/50/387955950.db2.gz NZRJTADURBURKS-AVGNSLFASA-N 2 0 228.380 1.909 20 0 BDADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423160084 387940913 /nfs/dbraw/zinc/94/09/13/387940913.db2.gz GUSMCLZFDRIIEQ-OCCSQVGLSA-N 3 0 239.407 1.591 20 0 BDADRP CC[C@@H](C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)OC ZINC000423160938 387941506 /nfs/dbraw/zinc/94/15/06/387941506.db2.gz RIYWSVOWDJHTJZ-SYCZCVCYSA-N 2 0 240.391 1.920 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)[C@H](C)O1 ZINC000392234624 387942484 /nfs/dbraw/zinc/94/24/84/387942484.db2.gz DDEUKDUHCDJRCV-NTZNESFSSA-N 2 0 224.348 1.404 20 0 BDADRP CO[C@H]([C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000423162570 387942936 /nfs/dbraw/zinc/94/29/36/387942936.db2.gz PXACBHLEDNYSOX-VBMFXSEOSA-N 2 0 238.375 1.673 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1COCC1(C)C ZINC000423165769 387947218 /nfs/dbraw/zinc/94/72/18/387947218.db2.gz UVKIQGBMDJXDRF-GUBZILKMSA-N 2 0 200.326 1.127 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1COCC1(C)C ZINC000423165767 387947790 /nfs/dbraw/zinc/94/77/90/387947790.db2.gz UVKIQGBMDJXDRF-AEJSXWLSSA-N 2 0 200.326 1.127 20 0 BDADRP CC[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)[C@@H]1CCC[NH2+]1 ZINC000423165819 387948934 /nfs/dbraw/zinc/94/89/34/387948934.db2.gz UXZGAVJDUAELRF-MQYQWHSLSA-N 2 0 240.391 1.658 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCN2CC=CCC2)C1 ZINC000392280702 387949059 /nfs/dbraw/zinc/94/90/59/387949059.db2.gz HOMAEYQOLUUERF-CHWSQXEVSA-N 2 0 223.364 1.108 20 0 BDADRP Cc1ccc(CC[NH2+][C@H]2CCC[C@H]2C[NH3+])nc1 ZINC000423165824 387950322 /nfs/dbraw/zinc/95/03/22/387950322.db2.gz QJWHLHVADGFVIW-JSGCOSHPSA-N 2 0 233.359 1.650 20 0 BDADRP C[C@@H]1CCNC[C@@H]1[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000423171515 387958066 /nfs/dbraw/zinc/95/80/66/387958066.db2.gz OSWUHKDSXFUOCD-RDBSUJKOSA-N 2 0 239.407 1.306 20 0 BDADRP C[C@H](NCc1ccc2c[nH+]cn2c1)[C@@H]1CCC[NH2+]1 ZINC000423172554 387958886 /nfs/dbraw/zinc/95/88/86/387958886.db2.gz UCUDCLHGSYKQHT-FZMZJTMJSA-N 2 0 244.342 1.564 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000423172445 387959192 /nfs/dbraw/zinc/95/91/92/387959192.db2.gz SYCKXIODLJABKH-GXTWGEPZSA-N 3 0 244.342 1.551 20 0 BDADRP CO[C@@H]1C[C@@H]([NH2+][C@@H](C)C2C[NH2+]C2)C12CCC2 ZINC000423172788 387959530 /nfs/dbraw/zinc/95/95/30/387959530.db2.gz VGENCBOOCHAKQR-MVWJERBFSA-N 2 0 224.348 1.142 20 0 BDADRP C[C@@H](NCc1ccc2c[nH+]cn2c1)[C@@H]1CCC[NH2+]1 ZINC000423172555 387960093 /nfs/dbraw/zinc/96/00/93/387960093.db2.gz UCUDCLHGSYKQHT-RISCZKNCSA-N 2 0 244.342 1.564 20 0 BDADRP C[C@@H](NCc1ccc2c[nH+]cn2c1)[C@H]1CCC[NH2+]1 ZINC000423172553 387960239 /nfs/dbraw/zinc/96/02/39/387960239.db2.gz UCUDCLHGSYKQHT-BXUZGUMPSA-N 2 0 244.342 1.564 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH+]2C)CCS1 ZINC000245587516 387964241 /nfs/dbraw/zinc/96/42/41/387964241.db2.gz FFAHLMFXPGDBOF-VXGBXAGGSA-N 2 0 228.405 1.908 20 0 BDADRP COCC1CCC([NH2+][C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000423177369 387964555 /nfs/dbraw/zinc/96/45/55/387964555.db2.gz HIXJATIUQKUFDE-ZSVAQUKISA-N 2 0 228.380 1.907 20 0 BDADRP CC[C@H]([NH2+][C@H]1CCC[C@H](CO)C1)[C@@H]1CCC[NH2+]1 ZINC000423179766 387966515 /nfs/dbraw/zinc/96/65/15/387966515.db2.gz KCSGHMIURRYGHI-XUXIUFHCSA-N 2 0 240.391 1.658 20 0 BDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NCC[NH3+])C1 ZINC000423182378 387967359 /nfs/dbraw/zinc/96/73/59/387967359.db2.gz LPRQRUWFAPWAPZ-TZMCWYRMSA-N 2 0 233.359 1.370 20 0 BDADRP CO[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000245630833 387968001 /nfs/dbraw/zinc/96/80/01/387968001.db2.gz QCGBXINCNJPCQU-QWHCGFSZSA-N 2 0 226.364 1.582 20 0 BDADRP COc1ccc([C@H](C)[NH2+]CCC[NH3+])cc1O ZINC000423183842 387969607 /nfs/dbraw/zinc/96/96/07/387969607.db2.gz HZEXKWXCJKTCGN-VIFPVBQESA-N 2 0 224.304 1.400 20 0 BDADRP CC[C@@H]([NH2+]C1CCC(C[NH3+])CC1)[C@H](O)C(C)C ZINC000423187405 387971752 /nfs/dbraw/zinc/97/17/52/387971752.db2.gz PHBJQVXBQVDDGC-NWINJMCUSA-N 2 0 242.407 1.889 20 0 BDADRP CC[C@H]1CC[C@@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423188040 387971810 /nfs/dbraw/zinc/97/18/10/387971810.db2.gz PNNHZWYMPJSGFX-STQMWFEESA-N 2 0 225.380 1.060 20 0 BDADRP COC[C@H]([NH2+]C1CC[NH2+]CC1)C1CCCC1 ZINC000423195211 387980438 /nfs/dbraw/zinc/98/04/38/387980438.db2.gz YVOQEDWVZHZFBU-ZDUSSCGKSA-N 2 0 226.364 1.533 20 0 BDADRP Cc1c([C@@H](C)[NH2+]CCC[NH3+])cnn1C(C)(C)C ZINC000423196412 387981514 /nfs/dbraw/zinc/98/15/14/387981514.db2.gz VGAPUOJFDSZYMU-SNVBAGLBSA-N 2 0 238.379 1.946 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1F ZINC000423196181 387981888 /nfs/dbraw/zinc/98/18/88/387981888.db2.gz ZEQKNGMYUISLOH-WHOHXGKFSA-N 2 0 214.328 1.984 20 0 BDADRP CC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])[C@H](O)C(C)C ZINC000423188829 387974354 /nfs/dbraw/zinc/97/43/54/387974354.db2.gz QMOSEOAKZVIJLV-WISYIIOYSA-N 2 0 216.369 1.497 20 0 BDADRP C[N@@H+]1CC[C@H](NC2CC[NH2+]CC2)[C@@H]2CCC[C@H]21 ZINC000423191489 387976602 /nfs/dbraw/zinc/97/66/02/387976602.db2.gz UFVYZTFIAOBQKD-MELADBBJSA-N 2 0 237.391 1.201 20 0 BDADRP COCCCC[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424332061 387976774 /nfs/dbraw/zinc/97/67/74/387976774.db2.gz KPKRVTDGRRVOQA-GHMZBOCLSA-N 2 0 200.326 1.273 20 0 BDADRP [NH3+]CCC[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000423192596 387977501 /nfs/dbraw/zinc/97/75/01/387977501.db2.gz PTHYANITMKBCLN-YNEHKIRRSA-N 2 0 226.364 1.520 20 0 BDADRP COCC1CCC([NH2+][C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000423192825 387977787 /nfs/dbraw/zinc/97/77/87/387977787.db2.gz UZEKMTBUPZQHCD-TYUFSLCMSA-N 2 0 226.364 1.661 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423201216 387987784 /nfs/dbraw/zinc/98/77/84/387987784.db2.gz OBRUFALNVHRTNZ-JHJVBQTASA-N 2 0 238.375 1.533 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+]CCC[NH2+]C)C12CCCC2 ZINC000423202215 387987971 /nfs/dbraw/zinc/98/79/71/387987971.db2.gz QHVZLNJOZAGVPF-OLZOCXBDSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)O1 ZINC000423204491 387988878 /nfs/dbraw/zinc/98/88/78/387988878.db2.gz BAFREBWHTDHARV-AOWPKACXSA-N 2 0 224.348 1.425 20 0 BDADRP Cc1ccc([C@@H](C)[NH2+]CCN2CC[NH2+]CC2)cc1 ZINC000423204143 387989434 /nfs/dbraw/zinc/98/94/34/387989434.db2.gz NSNGJZUTSIANGD-CQSZACIVSA-N 2 0 247.386 1.551 20 0 BDADRP C[NH2+]CCCN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423202544 387989934 /nfs/dbraw/zinc/98/99/34/387989934.db2.gz QYTXJRBTRWSXLG-OCCSQVGLSA-N 2 0 235.375 1.144 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1NCC1([NH3+])CCCCCC1 ZINC000423208506 387992696 /nfs/dbraw/zinc/99/26/96/387992696.db2.gz YVYIWNNEGVLBLP-STQMWFEESA-N 2 0 239.407 1.755 20 0 BDADRP C[NH2+]CCC[NH2+][C@H]1CCc2ccc(OC)cc21 ZINC000423208545 387993872 /nfs/dbraw/zinc/99/38/72/387993872.db2.gz YZABZZCFQUGQFQ-AWEZNQCLSA-N 2 0 234.343 1.882 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2[NH3+])CS1 ZINC000423196147 387982288 /nfs/dbraw/zinc/98/22/88/387982288.db2.gz ZBNCHCXPMSAESG-RGOKHQFPSA-N 2 0 200.351 1.350 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000423197942 387983619 /nfs/dbraw/zinc/98/36/19/387983619.db2.gz CBYLXHWWENWPBM-CQSZACIVSA-N 2 0 234.343 1.969 20 0 BDADRP [NH3+]CCC[NH2+][C@H]1CSCCc2ccccc21 ZINC000423197531 387984002 /nfs/dbraw/zinc/98/40/02/387984002.db2.gz ZTTWYGYUEULCQU-ZDUSSCGKSA-N 2 0 236.384 1.955 20 0 BDADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424375172 387999484 /nfs/dbraw/zinc/99/94/84/387999484.db2.gz MMZXZBLTMTXJBH-ASEORRQLSA-N 2 0 237.391 1.329 20 0 BDADRP C[C@H](c1ccccc1)[C@H](C)[NH2+]CCOCC[NH3+] ZINC000420399451 388000130 /nfs/dbraw/zinc/00/01/30/388000130.db2.gz HVQBXBBUZYYWLQ-STQMWFEESA-N 2 0 236.359 1.744 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424382735 388000775 /nfs/dbraw/zinc/00/07/75/388000775.db2.gz SLBXNWFGQHLRBV-WUHRBBMRSA-N 2 0 208.349 1.892 20 0 BDADRP COCC1CCC([NH2+]CC[C@H](C)[NH3+])CC1 ZINC000423222424 388002158 /nfs/dbraw/zinc/00/21/58/388002158.db2.gz AXPQVYKJIBSOHY-UNXYVOJBSA-N 2 0 214.353 1.519 20 0 BDADRP CC(C)n1cc([C@@H](C)[NH2+]CC[C@H](C)[NH3+])cn1 ZINC000423225985 388009549 /nfs/dbraw/zinc/00/95/49/388009549.db2.gz PAARMSWZYLQSCO-WDEREUQCSA-N 2 0 224.352 1.852 20 0 BDADRP CCn1cc([C@H](C)[NH2+]CC[C@H](C)[NH3+])cn1 ZINC000423226148 388009670 /nfs/dbraw/zinc/00/96/70/388009670.db2.gz PPIXAGMHGOONEH-UWVGGRQHSA-N 2 0 210.325 1.291 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156620023 388010708 /nfs/dbraw/zinc/01/07/08/388010708.db2.gz GIKJYUZLIXAAKB-UPJWGTAASA-N 2 0 228.380 1.467 20 0 BDADRP CC[N@@H+]1C[C@@H](C)[C@H](N[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000424373573 387996321 /nfs/dbraw/zinc/99/63/21/387996321.db2.gz JTFSDXAQQHUTNC-FDYHWXHSSA-N 2 0 225.380 1.186 20 0 BDADRP CCn1cc([C@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cn1 ZINC000423242718 388026259 /nfs/dbraw/zinc/02/62/59/388026259.db2.gz FTCHSHKPXSABCU-RYUDHWBXSA-N 2 0 236.363 1.553 20 0 BDADRP C[NH2+]CCN[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000423228076 388013679 /nfs/dbraw/zinc/01/36/79/388013679.db2.gz YCCAZDZJTJOUQN-HIFRSBDPSA-N 2 0 247.386 1.458 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@H]1CCC[NH2+]1 ZINC000423229381 388014706 /nfs/dbraw/zinc/01/47/06/388014706.db2.gz BCEGHWRUOSGYHV-FDYHWXHSSA-N 2 0 225.380 1.057 20 0 BDADRP C([NH2+][C@H]1CC[C@H]1C1CCC1)[C@@H]1CCC[NH2+]1 ZINC000423229045 388015340 /nfs/dbraw/zinc/01/53/40/388015340.db2.gz ABYAYFUIPFACOS-AVGNSLFASA-N 2 0 208.349 1.907 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@H]([NH3+])c1ccccc1 ZINC000423232317 388017021 /nfs/dbraw/zinc/01/70/21/388017021.db2.gz BWNKOHWGOWEWIM-SNPRPXQTSA-N 2 0 247.386 1.616 20 0 BDADRP C([NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)[C@@H]1CCC[NH2+]1 ZINC000423235237 388018328 /nfs/dbraw/zinc/01/83/28/388018328.db2.gz NADDWAFESZCCTR-QNWHQSFQSA-N 2 0 236.359 1.286 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1NC[C@H]([NH3+])c1ccccc1 ZINC000423238393 388022838 /nfs/dbraw/zinc/02/28/38/388022838.db2.gz ADEASRPINKRBQP-KWCYVHTRSA-N 2 0 233.359 1.274 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccncc1F ZINC000423251154 388033932 /nfs/dbraw/zinc/03/39/32/388033932.db2.gz RLHPBCHPCILMTK-QWRGUYRKSA-N 2 0 237.322 1.871 20 0 BDADRP CC[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cnn(C)c1 ZINC000423250884 388034442 /nfs/dbraw/zinc/03/44/42/388034442.db2.gz RDMLMKPVAGDFIQ-YPMHNXCESA-N 2 0 236.363 1.460 20 0 BDADRP C[NH2+]C[C@H](C)CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423256397 388037001 /nfs/dbraw/zinc/03/70/01/388037001.db2.gz BUVYLFJSVAGMPD-ZLKJLUDKSA-N 2 0 233.359 1.576 20 0 BDADRP C[C@H]1CSCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000261527742 135151591 /nfs/dbraw/zinc/15/15/91/135151591.db2.gz GOPGYDPRZAEDMZ-SECBINFHSA-N 2 0 202.367 1.409 20 0 BDADRP CC[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccn(C)n1 ZINC000423242108 388026473 /nfs/dbraw/zinc/02/64/73/388026473.db2.gz YMUMIWKZJANVPM-HTAVTVPLSA-N 2 0 236.363 1.731 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCN(CCCO)C1)C1(C)CC1 ZINC000453271394 388030104 /nfs/dbraw/zinc/03/01/04/388030104.db2.gz UEXRQWGJFKIUDD-QWHCGFSZSA-N 2 0 240.391 1.611 20 0 BDADRP Cn1cc2c(n1)CCC[C@H]2[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423246076 388030209 /nfs/dbraw/zinc/03/02/09/388030209.db2.gz JUTOYESRUYJVSJ-WCQYABFASA-N 2 0 248.374 1.387 20 0 BDADRP COCCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000423272382 388051301 /nfs/dbraw/zinc/05/13/01/388051301.db2.gz HXQPIKGNTORRAS-RWMBFGLXSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@H]1C[NH3+])c1ccncc1F ZINC000423272188 388051452 /nfs/dbraw/zinc/05/14/52/388051452.db2.gz JMMWOUQKIYNZGT-OUJBWJOFSA-N 2 0 237.322 1.999 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000423274331 388054504 /nfs/dbraw/zinc/05/45/04/388054504.db2.gz LZDJEPAWLZLVJC-UMSGYPCISA-N 2 0 240.391 1.635 20 0 BDADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H](C)C[NH2+]C ZINC000423281958 388063205 /nfs/dbraw/zinc/06/32/05/388063205.db2.gz VZVJINYIGPCMGU-NWDGAFQWSA-N 2 0 243.395 1.079 20 0 BDADRP CCC([NH3+])(CC)C[NH2+][C@@H](C)[C@@H](C)OC ZINC000423282217 388064219 /nfs/dbraw/zinc/06/42/19/388064219.db2.gz CLFXMKJIZFPLCG-VHSXEESVSA-N 2 0 202.342 1.517 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000453393570 388069249 /nfs/dbraw/zinc/06/92/49/388069249.db2.gz VFMBYQQIMFAFKW-MBJXGIAVSA-N 2 0 240.391 1.466 20 0 BDADRP CCC1(CC)[C@@H]([NH2+]CC(C)(C)[NH3+])C[C@@H]1OC ZINC000423286791 388070903 /nfs/dbraw/zinc/07/09/03/388070903.db2.gz IUFVNKHJFNIHOZ-QWRGUYRKSA-N 2 0 228.380 1.907 20 0 BDADRP CCC([NH3+])(CC)CN[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000423288445 388073447 /nfs/dbraw/zinc/07/34/47/388073447.db2.gz SBSNGEIMLBPYAI-WDEREUQCSA-N 2 0 213.369 1.044 20 0 BDADRP C[C@H]([NH3+])c1ccc(CN[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000423289482 388074420 /nfs/dbraw/zinc/07/44/20/388074420.db2.gz BBOTUQGKDZQYGI-ZLKJLUDKSA-N 2 0 233.359 1.676 20 0 BDADRP CCC([NH3+])(CC)CN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000423289312 388074600 /nfs/dbraw/zinc/07/46/00/388074600.db2.gz WSRQWNIIGYFKDW-RWMBFGLXSA-N 2 0 241.423 1.822 20 0 BDADRP CC[C@@H]([NH2+]CC([NH3+])(CC)CC)[C@@H]1CCOC1 ZINC000423290005 388074615 /nfs/dbraw/zinc/07/46/15/388074615.db2.gz YYVWLSHODZZLML-VXGBXAGGSA-N 2 0 228.380 1.909 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCc1ccncc1 ZINC000084219947 388074822 /nfs/dbraw/zinc/07/48/22/388074822.db2.gz UQTVXDPTYXYGTN-OLZOCXBDSA-N 2 0 219.332 1.341 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCOC1CCCC1 ZINC000084222074 388075169 /nfs/dbraw/zinc/07/51/69/388075169.db2.gz NIHQFJTZPGDDDD-WCQYABFASA-N 2 0 226.364 1.663 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1NCCC[NH+]1CCCC1 ZINC000084218088 388075386 /nfs/dbraw/zinc/07/53/86/388075386.db2.gz MIPFEITWWJWLJV-CHWSQXEVSA-N 2 0 225.380 1.189 20 0 BDADRP C[C@@H]([NH3+])c1ccc(CN[C@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000423293146 388076199 /nfs/dbraw/zinc/07/61/99/388076199.db2.gz PZHKECAGRXWNQK-LALPHHSUSA-N 2 0 247.386 1.936 20 0 BDADRP CCC([NH3+])(CC)CN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423294993 388077588 /nfs/dbraw/zinc/07/75/88/388077588.db2.gz WAHANQZLFDRGOY-WDEREUQCSA-N 2 0 213.369 1.234 20 0 BDADRP CCOC[C@@H]1CCCC[N@@H+]1CCn1ccnc1 ZINC000453417910 388077982 /nfs/dbraw/zinc/07/79/82/388077982.db2.gz WKBUHUGRYVZZGP-ZDUSSCGKSA-N 2 0 237.347 1.774 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@H]1CCCC[C@H]1C[NH3+] ZINC000423297018 388078479 /nfs/dbraw/zinc/07/84/79/388078479.db2.gz IJLXFRDJATXRPH-XQQFMLRXSA-N 2 0 227.396 1.611 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423297016 388078722 /nfs/dbraw/zinc/07/87/22/388078722.db2.gz IJLXFRDJATXRPH-JHJVBQTASA-N 2 0 227.396 1.611 20 0 BDADRP CCCC[C@H](CN)[NH2+][C@H](C)CCC[NH3+] ZINC000423297858 388079781 /nfs/dbraw/zinc/07/97/81/388079781.db2.gz MECZRWXAKXKDRZ-GHMZBOCLSA-N 2 0 201.358 1.221 20 0 BDADRP CCCCOCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000336661406 388103570 /nfs/dbraw/zinc/10/35/70/388103570.db2.gz JYSYGKRGQFUYRP-YNEHKIRRSA-N 2 0 226.364 1.472 20 0 BDADRP COC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)C ZINC000086696229 388106585 /nfs/dbraw/zinc/10/65/85/388106585.db2.gz JBVYLZGLLCQPLO-WTUNAVPPSA-N 2 0 240.391 1.872 20 0 BDADRP CC[NH+](CC)CCC[NH2+]C1CCC([NH3+])CC1 ZINC000086724811 388108379 /nfs/dbraw/zinc/10/83/79/388108379.db2.gz BLLNQVPAHPJDKE-UHFFFAOYSA-N 3 0 227.396 1.578 20 0 BDADRP C([NH2+][C@H]1CCCOCC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000086873342 388109277 /nfs/dbraw/zinc/10/92/77/388109277.db2.gz DUPIZUHAGIVNAG-OLZOCXBDSA-N 2 0 238.375 1.629 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)C12CCC2 ZINC000423269071 388047380 /nfs/dbraw/zinc/04/73/80/388047380.db2.gz GZNIJLJAJLCHPU-JHJVBQTASA-N 2 0 240.391 1.907 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000423268406 388047572 /nfs/dbraw/zinc/04/75/72/388047572.db2.gz DNXAQHXPHHGYIG-UPJWGTAASA-N 3 0 227.396 1.611 20 0 BDADRP C[NH2+]C[C@H](C)CN[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000423269135 388047960 /nfs/dbraw/zinc/04/79/60/388047960.db2.gz GREAMFRDGUILDQ-TUAOUCFPSA-N 2 0 225.380 1.057 20 0 BDADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NC[C@@H](C)[NH+](C)C ZINC000449331743 388174290 /nfs/dbraw/zinc/17/42/90/388174290.db2.gz APPIRZNNMXJWOL-DGCLKSJQSA-N 2 0 249.358 1.061 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H](O)C(C)(C)C ZINC000164051123 388139094 /nfs/dbraw/zinc/13/90/94/388139094.db2.gz QTHJVLOOGNIUDR-WOPDTQHZSA-N 2 0 228.380 1.323 20 0 BDADRP CCC[NH2+][C@@H](C)C(=O)NCC([NH3+])(CC)CC ZINC000449131901 388147152 /nfs/dbraw/zinc/14/71/52/388147152.db2.gz QFDWJCOBDQNRCL-JTQLQIEISA-N 2 0 229.368 1.008 20 0 BDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NCC1([NH3+])CCC1 ZINC000449179349 388153489 /nfs/dbraw/zinc/15/34/89/388153489.db2.gz VPYIABOURMNADI-SNVBAGLBSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCCN1CCCO)C1CCC1 ZINC000449386664 388190602 /nfs/dbraw/zinc/19/06/02/388190602.db2.gz JBFVPOUKENPWJN-GXTWGEPZSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000449408926 388197109 /nfs/dbraw/zinc/19/71/09/388197109.db2.gz QAORMCRJFLMFKF-MBNYWOFBSA-N 2 0 240.391 1.467 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)N[C@H](C)CCCC[NH3+] ZINC000449549425 388229842 /nfs/dbraw/zinc/22/98/42/388229842.db2.gz XWGHSAXDMTZTRR-GHMZBOCLSA-N 2 0 229.368 1.008 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)NC(C)(C)CCC[NH3+] ZINC000449552402 388230709 /nfs/dbraw/zinc/23/07/09/388230709.db2.gz JDRODAHRUIYZRG-SNVBAGLBSA-N 2 0 229.368 1.008 20 0 BDADRP C[C@H](CCC[NH3+])NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000449574038 388235633 /nfs/dbraw/zinc/23/56/33/388235633.db2.gz VGLWZLWOUDXBMN-IJLUTSLNSA-N 2 0 241.379 1.103 20 0 BDADRP CC[C@H](C(=O)N[C@@H](C)CCC[NH3+])[NH+](CC)CC ZINC000449572516 388235775 /nfs/dbraw/zinc/23/57/75/388235775.db2.gz NGXYGVADBFAUEK-NWDGAFQWSA-N 2 0 243.395 1.350 20 0 BDADRP C[C@@H](C[NH2+]C/C=C\c1ccncc1)C[NH+](C)C ZINC000491597213 388304842 /nfs/dbraw/zinc/30/48/42/388304842.db2.gz SHBFLHBNTHGQME-ZFDPJTLLSA-N 2 0 233.359 1.882 20 0 BDADRP CC(C)(O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000304326916 388358937 /nfs/dbraw/zinc/35/89/37/388358937.db2.gz UKZVGZUHFZTIGP-ZDUSSCGKSA-N 2 0 240.391 1.708 20 0 BDADRP COC[C@H](C)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000572643165 388362889 /nfs/dbraw/zinc/36/28/89/388362889.db2.gz LLRSYORXGJRULH-RDBSUJKOSA-N 2 0 240.391 1.590 20 0 BDADRP COC[C@H](C)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000572643163 388363646 /nfs/dbraw/zinc/36/36/46/388363646.db2.gz LLRSYORXGJRULH-MCIONIFRSA-N 2 0 240.391 1.590 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](O)C2CCC2)c2ccccc21 ZINC000315997619 388405131 /nfs/dbraw/zinc/40/51/31/388405131.db2.gz QDSIDPODUXGHTN-RBSFLKMASA-N 2 0 246.354 1.882 20 0 BDADRP C[NH2+]CCC1CC[NH+](C[C@@H](C)COC)CC1 ZINC000163542944 388364411 /nfs/dbraw/zinc/36/44/11/388364411.db2.gz FVSMZRLNJJVKRU-GFCCVEGCSA-N 2 0 228.380 1.590 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1cccc(CO)c1 ZINC000572832609 388379431 /nfs/dbraw/zinc/37/94/31/388379431.db2.gz NWAHURGXXZLQBN-GFCCVEGCSA-N 2 0 248.370 1.829 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000236799432 388383708 /nfs/dbraw/zinc/38/37/08/388383708.db2.gz ATPLIFOTZCYCBF-NEPJUHHUSA-N 2 0 241.379 1.010 20 0 BDADRP C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000300861952 388399529 /nfs/dbraw/zinc/39/95/29/388399529.db2.gz PIUBPIKVNSPJER-SDDRHHMPSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@H]1C[C@H](N(C)CC2(F)CC2)CC[N@@H+]1C ZINC000525978357 388442145 /nfs/dbraw/zinc/44/21/45/388442145.db2.gz PRLQZNWFEQGXPQ-WDEREUQCSA-N 2 0 214.328 1.903 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000394078288 388450865 /nfs/dbraw/zinc/45/08/65/388450865.db2.gz WVNPFRLJWLKJKS-CQDKDKBSSA-N 2 0 248.370 1.985 20 0 BDADRP CCC[NH+](CCC)CCCC(=O)NC[C@H](C)[NH3+] ZINC000194951455 388458142 /nfs/dbraw/zinc/45/81/42/388458142.db2.gz FAFNGYTXSHUHRA-LBPRGKRZSA-N 2 0 243.395 1.352 20 0 BDADRP Cc1cn[nH]c1C[NH2+]CCn1ccnc1C ZINC000336703035 388465169 /nfs/dbraw/zinc/46/51/69/388465169.db2.gz OKKNUTRGWYHOJK-UHFFFAOYSA-N 2 0 219.292 1.013 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@H]1CCCc2occc21 ZINC000336706176 388465219 /nfs/dbraw/zinc/46/52/19/388465219.db2.gz RJUAAILWMCQACC-ONGXEEELSA-N 2 0 208.305 1.841 20 0 BDADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000336718134 388467314 /nfs/dbraw/zinc/46/73/14/388467314.db2.gz QWEXBSGGMWSXFM-GXTWGEPZSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)(C)[NH2+]CCN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000516062597 388470711 /nfs/dbraw/zinc/47/07/11/388470711.db2.gz FDQOVUPLFIAGNE-AWEZNQCLSA-N 2 0 239.407 1.450 20 0 BDADRP C[C@H](O)CC(C)(C)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000393633849 388436567 /nfs/dbraw/zinc/43/65/67/388436567.db2.gz LJBUGROSDCADHJ-XQQFMLRXSA-N 2 0 242.407 1.891 20 0 BDADRP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000393694716 388437761 /nfs/dbraw/zinc/43/77/61/388437761.db2.gz OFBZNYAXEMFYFG-QJPTWQEYSA-N 2 0 228.380 1.501 20 0 BDADRP C[C@H](O)CC(C)(C)C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000393694718 388438253 /nfs/dbraw/zinc/43/82/53/388438253.db2.gz OFBZNYAXEMFYFG-SRVKXCTJSA-N 2 0 228.380 1.501 20 0 BDADRP c1cnn(CCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000135463275 388497173 /nfs/dbraw/zinc/49/71/73/388497173.db2.gz QGOBGIVUSXNGAD-ZIAGYGMSSA-N 2 0 248.374 1.490 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCC1(O)CCC1 ZINC000342805882 388499161 /nfs/dbraw/zinc/49/91/61/388499161.db2.gz KXEDSFGEZFWNDR-FRRDWIJNSA-N 2 0 240.391 1.610 20 0 BDADRP CCC[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])OC ZINC000356335491 388549038 /nfs/dbraw/zinc/54/90/38/388549038.db2.gz NGVXLPHPZQUMFS-QJPTWQEYSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@@H](NCC1([NH3+])CCCCCC1)[C@H]1CCC[NH2+]1 ZINC000517024002 256812077 /nfs/dbraw/zinc/81/20/77/256812077.db2.gz LZXXSLHCPUTQGQ-CHWSQXEVSA-N 2 0 239.407 1.768 20 0 BDADRP CC[N@H+](C)C[C@H](O)CN1CCC[C@](C)(F)C1 ZINC000516935970 388525669 /nfs/dbraw/zinc/52/56/69/388525669.db2.gz OOSQOQIKLGAEJJ-RYUDHWBXSA-N 2 0 232.343 1.123 20 0 BDADRP CC[N@H+](C)C[C@@H](O)CN1CCC[C@](C)(F)C1 ZINC000516935968 388525702 /nfs/dbraw/zinc/52/57/02/388525702.db2.gz OOSQOQIKLGAEJJ-NEPJUHHUSA-N 2 0 232.343 1.123 20 0 BDADRP C/C=C/C[C@H](CO)[NH2+]C1CC[NH+](CCC)CC1 ZINC000186500235 388600731 /nfs/dbraw/zinc/60/07/31/388600731.db2.gz XZBALQYXSSJIIY-LYKUJDHUSA-N 2 0 240.391 1.778 20 0 BDADRP C[C@H]([NH2+]CCC[NH+](C)C)[C@H]1CCCCO1 ZINC000379276427 388604468 /nfs/dbraw/zinc/60/44/68/388604468.db2.gz ZVASANHKHHWWOT-NWDGAFQWSA-N 2 0 214.353 1.485 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc[nH]c2)C1 ZINC000080773989 388561169 /nfs/dbraw/zinc/56/11/69/388561169.db2.gz LVUNADXCCSYKGH-GFCCVEGCSA-N 2 0 207.321 1.446 20 0 BDADRP CO[C@@H](C[NH+]1CCC([NH3+])CC1)c1ccccc1 ZINC000379013897 388574036 /nfs/dbraw/zinc/57/40/36/388574036.db2.gz ADTYPJJKQVEELZ-AWEZNQCLSA-N 2 0 234.343 1.797 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000248055840 388672626 /nfs/dbraw/zinc/67/26/26/388672626.db2.gz XHVBYHSOUQQFBS-MELADBBJSA-N 2 0 239.407 1.543 20 0 BDADRP CC[N@@H+]1CC[C@@H](NCC[NH+]2CCCC2)[C@@H](C)C1 ZINC000248048013 388672880 /nfs/dbraw/zinc/67/28/80/388672880.db2.gz VRHPDRLFQSSWEN-UONOGXRCSA-N 2 0 239.407 1.402 20 0 BDADRP CCC(CC)C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000125906029 388681079 /nfs/dbraw/zinc/68/10/79/388681079.db2.gz YZQLBJDJMAHDQF-GFCCVEGCSA-N 2 0 216.369 1.325 20 0 BDADRP O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000248557741 388683505 /nfs/dbraw/zinc/68/35/05/388683505.db2.gz LQGUNSNPUSZUJB-XJFOESAGSA-N 2 0 238.375 1.506 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCCOC1)C1C[NH2+]C1 ZINC000530208647 388626277 /nfs/dbraw/zinc/62/62/77/388626277.db2.gz GKCNQYGIVZEYAG-WDEREUQCSA-N 2 0 212.337 1.001 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CCCOC1 ZINC000530209514 388627925 /nfs/dbraw/zinc/62/79/25/388627925.db2.gz IKLMGCJMQRDXLA-AGIUHOORSA-N 2 0 226.364 1.520 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC2CCOCC2)[C@@H](C)C1 ZINC000246321277 388630460 /nfs/dbraw/zinc/63/04/60/388630460.db2.gz MYMLIVURMNINHL-JSGCOSHPSA-N 2 0 240.391 1.733 20 0 BDADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2C[NH3+])cn1 ZINC000530221972 388633141 /nfs/dbraw/zinc/63/31/41/388633141.db2.gz QCLVIDDQOSWHOD-QWHCGFSZSA-N 2 0 249.358 1.350 20 0 BDADRP CC1(C)CC(C[N@@H+]2CCCO[C@H](C[NH3+])C2)C1 ZINC000530222217 388633261 /nfs/dbraw/zinc/63/32/61/388633261.db2.gz GHAJWCHVNPYKOE-GFCCVEGCSA-N 2 0 226.364 1.472 20 0 BDADRP CC[NH2+]CCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000521858916 388634510 /nfs/dbraw/zinc/63/45/10/388634510.db2.gz BGCLEAPTXUDKMB-MGPQQGTHSA-N 2 0 239.407 1.496 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](CC[C@@H]2CCCO2)C1 ZINC000189508404 388636016 /nfs/dbraw/zinc/63/60/16/388636016.db2.gz VBVHIQYDJUAVFV-KBPBESRZSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@@H]1CC(F)(F)CC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000530231177 388636768 /nfs/dbraw/zinc/63/67/68/388636768.db2.gz FMJHNMNNBNPYFH-LLVKDONJSA-N 2 0 247.333 1.011 20 0 BDADRP COC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)C(C)C ZINC000083397612 388638574 /nfs/dbraw/zinc/63/85/74/388638574.db2.gz NLQZLEHFWRJCRE-QWHCGFSZSA-N 2 0 228.380 1.589 20 0 BDADRP COc1ccc(CC[NH2+]C[C@@H]2CCC[NH2+]C2)cn1 ZINC000530243320 388639014 /nfs/dbraw/zinc/63/90/14/388639014.db2.gz HLSKXSXIHLGNBF-CYBMUJFWSA-N 2 0 249.358 1.222 20 0 BDADRP CC[N@H+](CCN[C@@H]1CC[NH+](C)[C@@H](C)C1)C1CC1 ZINC000223057316 388646885 /nfs/dbraw/zinc/64/68/85/388646885.db2.gz YVOLLRASIUISTF-QWHCGFSZSA-N 2 0 239.407 1.543 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@H]1CCC[NH+]1C ZINC000246875852 388654166 /nfs/dbraw/zinc/65/41/66/388654166.db2.gz DSRUCNLBJNKYHG-AAVRWANBSA-N 2 0 239.407 1.399 20 0 BDADRP CC[NH+](CC)CCCN(CC(N)=O)CC(C)C ZINC000191433340 388663128 /nfs/dbraw/zinc/66/31/28/388663128.db2.gz FJIATIBATJLTFY-UHFFFAOYSA-N 2 0 243.395 1.162 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000227559668 388753475 /nfs/dbraw/zinc/75/34/75/388753475.db2.gz HHRAMLWQPCMAKD-UTUOFQBUSA-N 2 0 214.353 1.255 20 0 BDADRP CO[C@@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)CC[C@@H]1C ZINC000251795820 388754017 /nfs/dbraw/zinc/75/40/17/388754017.db2.gz MBPUVDPJNCNBIO-MELADBBJSA-N 2 0 240.391 1.828 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]CC2=CCCOC2)CC1 ZINC000126278783 388694039 /nfs/dbraw/zinc/69/40/39/388694039.db2.gz OPZSTWSMRRLJCF-UHFFFAOYSA-N 2 0 238.375 1.796 20 0 BDADRP CC(C)(C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000226062238 388699881 /nfs/dbraw/zinc/69/98/81/388699881.db2.gz BIBQEOWUDDCYOX-WOPDTQHZSA-N 2 0 228.380 1.643 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000248982412 388701868 /nfs/dbraw/zinc/70/18/68/388701868.db2.gz FWENTQYXOJLASG-QWHCGFSZSA-N 2 0 228.380 1.421 20 0 BDADRP CC[NH+](CC)CCC[N@H+](C)C[C@@H]1CCC[C@H]1O ZINC000249072747 388706831 /nfs/dbraw/zinc/70/68/31/388706831.db2.gz QPPZVSCGZFRGRE-UONOGXRCSA-N 2 0 242.407 1.811 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCCOC(F)F)CN1C1CC1 ZINC000193661035 388712809 /nfs/dbraw/zinc/71/28/09/388712809.db2.gz AKOBZHTVCMVPFZ-NXEZZACHSA-N 2 0 248.317 1.831 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](C)COC)[C@H](C)C1 ZINC000249262595 388714241 /nfs/dbraw/zinc/71/42/41/388714241.db2.gz HYKGFRFUDOMDNN-MJBXVCDLSA-N 2 0 242.407 1.931 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](C)COC)[C@@H](C)C1 ZINC000249262597 388714651 /nfs/dbraw/zinc/71/46/51/388714651.db2.gz HYKGFRFUDOMDNN-RDBSUJKOSA-N 2 0 242.407 1.931 20 0 BDADRP CC[C@@](C)(O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000249367937 388718018 /nfs/dbraw/zinc/71/80/18/388718018.db2.gz MUACZSFLIAYLIY-ZIAGYGMSSA-N 2 0 242.407 1.954 20 0 BDADRP CC(C)[C@H](C)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000127425030 388722723 /nfs/dbraw/zinc/72/27/23/388722723.db2.gz OETSTCDEHBEKQK-OLZOCXBDSA-N 2 0 227.396 1.256 20 0 BDADRP CCCC[N@H+](C)CCNC(=O)[C@H](CC)[NH+](C)C ZINC000127481011 388724587 /nfs/dbraw/zinc/72/45/87/388724587.db2.gz NUXPMRKTGBOCEM-LBPRGKRZSA-N 2 0 243.395 1.175 20 0 BDADRP CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)C(C)C ZINC000127648439 388728188 /nfs/dbraw/zinc/72/81/88/388728188.db2.gz UVZJSJFARWBBSV-ZIAGYGMSSA-N 2 0 241.423 1.647 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C)C[C@@H]2C)CS1 ZINC000229590287 388796096 /nfs/dbraw/zinc/79/60/96/388796096.db2.gz JKQMRZSZGKZMHN-WHOHXGKFSA-N 2 0 228.405 1.810 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCOC2)CC1 ZINC000128582602 388773951 /nfs/dbraw/zinc/77/39/51/388773951.db2.gz JOTDWFFHVQGFMJ-STQMWFEESA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000252716673 388775697 /nfs/dbraw/zinc/77/56/97/388775697.db2.gz ZBQAVAXCPQCMDF-MROQNXINSA-N 2 0 226.364 1.077 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCOC(C)(C)C ZINC000252742916 388779541 /nfs/dbraw/zinc/77/95/41/388779541.db2.gz OCLBGBGSVQXNRM-NWDGAFQWSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@@H]1C[C@H](NC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000093978068 388856844 /nfs/dbraw/zinc/85/68/44/388856844.db2.gz AHOYTSCOKMUKDO-DGCLKSJQSA-N 2 0 225.380 1.153 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000564827784 388891711 /nfs/dbraw/zinc/89/17/11/388891711.db2.gz FUWATPUAUYMOJJ-XDQVBPFNSA-N 3 0 237.391 1.092 20 0 BDADRP CCN1CC[C@@H]([NH2+]C[C@@H](O)C2CCCCC2)C1 ZINC000564859563 388894992 /nfs/dbraw/zinc/89/49/92/388894992.db2.gz ZOMLCPWVYKWFHN-ZIAGYGMSSA-N 2 0 240.391 1.611 20 0 BDADRP CC[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000565718150 388966102 /nfs/dbraw/zinc/96/61/02/388966102.db2.gz HKONPHPLPALHIG-GRYCIOLGSA-N 2 0 241.379 1.055 20 0 BDADRP COC[C@@H](C)C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000565880062 388977229 /nfs/dbraw/zinc/97/72/29/388977229.db2.gz FQIAHGBCIOXXJV-RYUDHWBXSA-N 2 0 214.353 1.248 20 0 BDADRP CC[NH+]1CCC(CC[NH2+][C@H](C)[C@H](C)O)CC1 ZINC000566115135 388989100 /nfs/dbraw/zinc/98/91/00/388989100.db2.gz HLKOETGAPANKTD-NEPJUHHUSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@H]([NH2+]CCO)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272491232 389033686 /nfs/dbraw/zinc/03/36/86/389033686.db2.gz NBQBNOSYYBXPDO-DZGCQCFKSA-N 2 0 248.370 1.479 20 0 BDADRP CC[NH+]1CCC([NH2+]CCc2cc(C)no2)CC1 ZINC000353988665 535473813 /nfs/dbraw/zinc/47/38/13/535473813.db2.gz WOCCADGNJCPVMX-UHFFFAOYSA-N 2 0 237.347 1.599 20 0 BDADRP C[C@@H]([NH2+]CC1CC(F)(F)C1)[C@H]1CCC[NH2+]1 ZINC000400518917 533366135 /nfs/dbraw/zinc/36/61/35/533366135.db2.gz GTPSUJAKQJFEPO-PSASIEDQSA-N 2 0 218.291 1.762 20 0 BDADRP C([NH2+][C@@H]1CCCC[NH2+]C1)[C@H]1CCCOC1 ZINC000335644332 533368097 /nfs/dbraw/zinc/36/80/97/533368097.db2.gz TVZPODWWZVUALO-VXGBXAGGSA-N 2 0 212.337 1.145 20 0 BDADRP C([NH2+][C@@H]1CCC[NH2+]CC1)[C@H]1CCCCO1 ZINC000168739847 533368544 /nfs/dbraw/zinc/36/85/44/533368544.db2.gz BDUVJRBPKKCHBC-VXGBXAGGSA-N 2 0 212.337 1.287 20 0 BDADRP C[C@@H]([NH2+]CCC(C)(C)CO)[C@H]1CCC[NH2+]1 ZINC000400752692 533372648 /nfs/dbraw/zinc/37/26/48/533372648.db2.gz WDEBHTSKPRAJSK-GHMZBOCLSA-N 2 0 214.353 1.125 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261949828 533374571 /nfs/dbraw/zinc/37/45/71/533374571.db2.gz FTPKLTYZUIRXFX-CYBMUJFWSA-N 3 0 237.391 1.062 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCOCC2)[C@@H]1C ZINC000494919950 533645452 /nfs/dbraw/zinc/64/54/52/533645452.db2.gz FQCYHELFPNKOCV-MGPQQGTHSA-N 2 0 240.391 1.733 20 0 BDADRP O[C@H]1C[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000297306745 132221659 /nfs/dbraw/zinc/22/16/59/132221659.db2.gz BOOFRSJHHVINKQ-XBXGTLAGSA-N 2 0 247.342 1.163 20 0 BDADRP C[NH2+]C[C@@H]1CCCN(c2cc[nH+]cc2C)C1 ZINC000070047550 132229998 /nfs/dbraw/zinc/22/99/98/132229998.db2.gz NYIHMBQTMRAKQN-LBPRGKRZSA-N 2 0 219.332 1.826 20 0 BDADRP Cc1cc(N2CC[C@H]3CC[N@@H+](C)[C@H]3C2)cc[nH+]1 ZINC000372336359 132285990 /nfs/dbraw/zinc/28/59/90/132285990.db2.gz GBCIYOREFSNJPQ-OCCSQVGLSA-N 2 0 231.343 1.920 20 0 BDADRP CCOCC[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000087979754 133541974 /nfs/dbraw/zinc/54/19/74/133541974.db2.gz BCDNUHRKCWWQOE-NSHDSACASA-N 2 0 200.326 1.097 20 0 BDADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C1CC(OC)C1 ZINC000347473103 133838166 /nfs/dbraw/zinc/83/81/66/133838166.db2.gz UEPVGUMQUQYEDV-CPCZMJQVSA-N 2 0 244.379 1.110 20 0 BDADRP Cn1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000350178095 133942111 /nfs/dbraw/zinc/94/21/11/133942111.db2.gz WUULWLOCCHNFQG-UHFFFAOYSA-N 2 0 235.375 1.799 20 0 BDADRP C[C@H](F)CC[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000352006601 134034696 /nfs/dbraw/zinc/03/46/96/134034696.db2.gz URMYIQSBFYHANB-QWHCGFSZSA-N 2 0 244.354 1.389 20 0 BDADRP CN1CC[C@@](O)(C[NH2+][C@@H]2CCCC(C)(C)C2)C1 ZINC000336022149 134055971 /nfs/dbraw/zinc/05/59/71/134055971.db2.gz BPAXJBTVSAYDRD-TZMCWYRMSA-N 2 0 240.391 1.611 20 0 BDADRP COCC[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000167602076 134152850 /nfs/dbraw/zinc/15/28/50/134152850.db2.gz XCDVJGXIZSTOCN-SRVKXCTJSA-N 2 0 214.353 1.328 20 0 BDADRP C[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000216609253 134154280 /nfs/dbraw/zinc/15/42/80/134154280.db2.gz QKERXBLQQZVXJC-HZSPNIEDSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc(O)c2)C1 ZINC000168511804 134225274 /nfs/dbraw/zinc/22/52/74/134225274.db2.gz CGBNBFZGKPAGSI-JQWIXIFHSA-N 2 0 220.316 1.561 20 0 BDADRP COc1cc(C)nc(CN[C@@H](C)C[NH+](C)C)c1 ZINC000168896567 134248903 /nfs/dbraw/zinc/24/89/03/134248903.db2.gz NQHYOFDLALHASQ-NSHDSACASA-N 2 0 237.347 1.438 20 0 BDADRP [NH3+]CCCC[NH2+][C@H]1CCCc2occc21 ZINC000169203594 134249936 /nfs/dbraw/zinc/24/99/36/134249936.db2.gz HSRUMIYKBLHRQS-NSHDSACASA-N 2 0 208.305 1.986 20 0 BDADRP COCCOCC[N@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000175716374 134286901 /nfs/dbraw/zinc/28/69/01/134286901.db2.gz SPLNXKPOOZKIJG-QWHCGFSZSA-N 2 0 244.379 1.064 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000178411313 134310057 /nfs/dbraw/zinc/31/00/57/134310057.db2.gz ATYFRXGGEPGGJH-JOYOIKCWSA-N 2 0 233.315 1.397 20 0 BDADRP C[C@H](C(=O)NCC[C@H](C)[NH3+])[NH+]1CCCCCC1 ZINC000178631472 134312053 /nfs/dbraw/zinc/31/20/53/134312053.db2.gz ZTJCXGSEZDFJGO-NWDGAFQWSA-N 2 0 241.379 1.104 20 0 BDADRP CC(C)CCC[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000220808754 134316002 /nfs/dbraw/zinc/31/60/02/134316002.db2.gz CMOGCYFWYONPOY-GFCCVEGCSA-N 2 0 216.369 1.325 20 0 BDADRP CO[C@H](C)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000182237082 134343544 /nfs/dbraw/zinc/34/35/44/134343544.db2.gz CUHKNBTVCKJBTK-JHJVBQTASA-N 2 0 226.364 1.437 20 0 BDADRP COCC[C@@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000227495397 134381210 /nfs/dbraw/zinc/38/12/10/134381210.db2.gz ZFMWAWYXHGXISL-GFCCVEGCSA-N 2 0 228.380 1.733 20 0 BDADRP COC[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)C1CC1 ZINC000227495800 134381427 /nfs/dbraw/zinc/38/14/27/134381427.db2.gz IEQXPAHMIUQBHO-CYBMUJFWSA-N 2 0 240.391 1.733 20 0 BDADRP CC(C)(CCCO)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000227919312 134399278 /nfs/dbraw/zinc/39/92/78/134399278.db2.gz VLVBEXKFOLTPPI-STQMWFEESA-N 2 0 242.407 1.892 20 0 BDADRP CCC[NH+]1CCC(NC(=O)CC[C@H](C)[NH3+])CC1 ZINC000070317477 134916142 /nfs/dbraw/zinc/91/61/42/134916142.db2.gz VGNVYVIZOOEVBL-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP CC[C@@H](COC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000070657829 135007001 /nfs/dbraw/zinc/00/70/01/135007001.db2.gz IRKVWCZGBHLILB-WODVXLOZSA-N 2 0 226.364 1.626 20 0 BDADRP C[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000070831795 135014293 /nfs/dbraw/zinc/01/42/93/135014293.db2.gz XTFVKYMDULVXIH-FRRDWIJNSA-N 2 0 226.364 1.221 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2CC[C@H](C)O2)C1 ZINC000248986566 135029181 /nfs/dbraw/zinc/02/91/81/135029181.db2.gz XBAZIKGNRDDGIH-MELADBBJSA-N 2 0 240.391 1.828 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCCOC1 ZINC000249685245 135043910 /nfs/dbraw/zinc/04/39/10/135043910.db2.gz MQDUWQXQEPACQP-AAVRWANBSA-N 2 0 240.391 1.731 20 0 BDADRP OC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCCC1 ZINC000250979614 135061396 /nfs/dbraw/zinc/06/13/96/135061396.db2.gz BEQLPIWTWJNSJZ-OLZOCXBDSA-N 2 0 238.375 1.508 20 0 BDADRP C[C@H](CO)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000251068975 135062318 /nfs/dbraw/zinc/06/23/18/135062318.db2.gz FAHIOKOCLKYBRN-ZDEQEGDKSA-N 2 0 226.364 1.125 20 0 BDADRP C[C@H](CO)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000251113399 135064156 /nfs/dbraw/zinc/06/41/56/135064156.db2.gz PJLBJCAMTRHNSM-XDQVBPFNSA-N 2 0 240.391 1.515 20 0 BDADRP CC[C@H](CO)[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000251095263 135064336 /nfs/dbraw/zinc/06/43/36/135064336.db2.gz PUXUXUZWSPHCIN-AAVRWANBSA-N 2 0 240.391 1.658 20 0 BDADRP C[C@H](CCCO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251187886 135065104 /nfs/dbraw/zinc/06/51/04/135065104.db2.gz INLSAKPEGBTRDC-UPJWGTAASA-N 2 0 226.364 1.364 20 0 BDADRP C1CC1[N@@H+]1CC[C@H](N[C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000251472199 135069907 /nfs/dbraw/zinc/06/99/07/135069907.db2.gz VXWBCPPDCUIEKU-KCQAQPDRSA-N 2 0 249.402 1.440 20 0 BDADRP COC[C@@H]1CC[N@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000251380600 135071920 /nfs/dbraw/zinc/07/19/20/135071920.db2.gz HMIPZTUOTQXGQM-VXGBXAGGSA-N 2 0 214.353 1.328 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)O1 ZINC000251762388 135076579 /nfs/dbraw/zinc/07/65/79/135076579.db2.gz KGRROGCMFNPWFZ-YIYPIFLZSA-N 2 0 238.375 1.770 20 0 BDADRP C[C@@H]1CCCC[C@@H]1[N@H+](C)CCOCC[NH3+] ZINC000086435552 135084757 /nfs/dbraw/zinc/08/47/57/135084757.db2.gz CXAAFDIWBKRQLY-NEPJUHHUSA-N 2 0 214.353 1.472 20 0 BDADRP CCOCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000086494383 135086570 /nfs/dbraw/zinc/08/65/70/135086570.db2.gz KQPRSWXKQFCHCR-UPJWGTAASA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)CCO1 ZINC000252190104 135086904 /nfs/dbraw/zinc/08/69/04/135086904.db2.gz UVFMYKFGSFMWDN-JHJVBQTASA-N 2 0 238.375 1.628 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@H]2CCCOC2)C1 ZINC000250245263 135090891 /nfs/dbraw/zinc/09/08/91/135090891.db2.gz HWLYQCBYACABFC-CHWSQXEVSA-N 2 0 226.364 1.344 20 0 BDADRP C[N@H+](Cc1cccc(O)c1)CC(C)(C)C[NH3+] ZINC000086637577 135091469 /nfs/dbraw/zinc/09/14/69/135091469.db2.gz AGOQTWBNTOXFSC-UHFFFAOYSA-N 2 0 222.332 1.809 20 0 BDADRP CC(C)C[C@H]([NH3+])CN(C)C[C@H]1CCC[N@@H+]1C ZINC000252581983 135092477 /nfs/dbraw/zinc/09/24/77/135092477.db2.gz UHFOCANZFIPYJG-QWHCGFSZSA-N 2 0 227.396 1.386 20 0 BDADRP C[C@H](CCO)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000252511891 135092533 /nfs/dbraw/zinc/09/25/33/135092533.db2.gz HSPHTYATIMKAGK-MROQNXINSA-N 2 0 228.380 1.323 20 0 BDADRP Cc1c[nH+]ccc1NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252539991 135092789 /nfs/dbraw/zinc/09/27/89/135092789.db2.gz CBUZJFZLILZCRT-QWHCGFSZSA-N 2 0 247.342 1.665 20 0 BDADRP C[C@@H]1C[NH+](CC[C@H]2CCC[NH2+]C2)C[C@H]1C ZINC000252633679 135093297 /nfs/dbraw/zinc/09/32/97/135093297.db2.gz DCNNKDRYHHZHSO-JHJVBQTASA-N 2 0 210.365 1.964 20 0 BDADRP C[C@H]1CCC[C@@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000086671284 135093513 /nfs/dbraw/zinc/09/35/13/135093513.db2.gz VOMUHXMJEAUHET-KBPBESRZSA-N 2 0 239.407 1.402 20 0 BDADRP CCC[C@H](O)C[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000252716204 135101929 /nfs/dbraw/zinc/10/19/29/135101929.db2.gz XXCHPIHEZIFPIM-AGIUHOORSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000252743089 135106292 /nfs/dbraw/zinc/10/62/92/135106292.db2.gz LGCQEHODKJERLN-FIQHERPVSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000252774177 135108166 /nfs/dbraw/zinc/10/81/66/135108166.db2.gz WJRYQBYSDKZSAA-QNWJLWSRSA-N 2 0 228.380 1.464 20 0 BDADRP CCOCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252844500 135112765 /nfs/dbraw/zinc/11/27/65/135112765.db2.gz DPBFKFOMSOCFDY-SDDRHHMPSA-N 2 0 212.337 1.082 20 0 BDADRP C[NH+](C)C1(CNC2=[NH+]CCCN2)CCCCC1 ZINC000261912095 135113430 /nfs/dbraw/zinc/11/34/30/135113430.db2.gz YMDWLOPIAAFKAK-UHFFFAOYSA-N 2 0 238.379 1.190 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000262589638 135119483 /nfs/dbraw/zinc/11/94/83/135119483.db2.gz QNCJRQHLHDBQIS-GVXVVHGQSA-N 2 0 241.379 1.090 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCCCO ZINC000253336481 135126416 /nfs/dbraw/zinc/12/64/16/135126416.db2.gz YKPGEGGCBLIIBH-VXGBXAGGSA-N 2 0 214.353 1.079 20 0 BDADRP C(C1CCCC1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257678107 135139286 /nfs/dbraw/zinc/13/92/86/135139286.db2.gz KGGNEZTWZNUZAY-ZDUSSCGKSA-N 2 0 208.349 1.862 20 0 BDADRP C([C@@H]1CCCOC1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000257698017 135139877 /nfs/dbraw/zinc/13/98/77/135139877.db2.gz PHYPWIXHVLGSNE-ZDUSSCGKSA-N 2 0 238.375 1.489 20 0 BDADRP CC(C)COCC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261545685 135150065 /nfs/dbraw/zinc/15/00/65/135150065.db2.gz GIKRLPGKNDXYEP-UHFFFAOYSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccsc1 ZINC000261529145 135155166 /nfs/dbraw/zinc/15/51/66/135155166.db2.gz PJKIYYLGGUBRHH-GXSJLCMTSA-N 2 0 210.346 1.836 20 0 BDADRP C[N@H+](C[C@@H]1CCSC1)[C@H]1CCC[NH2+]CC1 ZINC000261529472 135155683 /nfs/dbraw/zinc/15/56/83/135155683.db2.gz AULVOYLFWMYDLB-RYUDHWBXSA-N 2 0 228.405 1.813 20 0 BDADRP C[C@@H]1C[C@@H](C[N@H+](C)[C@H]2CCSC2)CC[NH2+]1 ZINC000261530263 135157145 /nfs/dbraw/zinc/15/71/45/135157145.db2.gz CDCPFULDZKEZAO-WOPDTQHZSA-N 2 0 228.405 1.812 20 0 BDADRP C[C@@H]1CSC[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000261530380 135157670 /nfs/dbraw/zinc/15/76/70/135157670.db2.gz ZFFXTZKSYNSNCC-AGVGLQIMSA-N 2 0 214.378 1.597 20 0 BDADRP CC(C)COCC[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000261530959 135159422 /nfs/dbraw/zinc/15/94/22/135159422.db2.gz DQZMEJYTCNNYNW-NWDGAFQWSA-N 2 0 214.353 1.328 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@H]2CCOC2)CC[C@@H]1[NH3+] ZINC000261532136 135162248 /nfs/dbraw/zinc/16/22/48/135162248.db2.gz JHCGBMNTONWLLS-WOPDTQHZSA-N 2 0 212.337 1.082 20 0 BDADRP CC(C)[N@H+](CCOCC[NH3+])C1CCCC1 ZINC000261532820 135163017 /nfs/dbraw/zinc/16/30/17/135163017.db2.gz KGVGTLBVLUNGDB-UHFFFAOYSA-N 2 0 214.353 1.615 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH2+]CC2)C1(C)C ZINC000261532713 135163405 /nfs/dbraw/zinc/16/34/05/135163405.db2.gz DCYAHDZGSJRFIQ-NWDGAFQWSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@H](CN[C@@H]1CCC[C@H]1C[NH3+])[N@H+](C)C1CC1 ZINC000261534095 135165614 /nfs/dbraw/zinc/16/56/14/135165614.db2.gz MZCIHUVLXBCLKW-NTZNESFSSA-N 2 0 225.380 1.186 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC3CCCC3)C[C@@H]12 ZINC000261533791 135165785 /nfs/dbraw/zinc/16/57/85/135165785.db2.gz LESRRZMLUOCCKF-JHJVBQTASA-N 2 0 208.349 1.846 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)CC[C@H]1[NH3+] ZINC000261534100 135165932 /nfs/dbraw/zinc/16/59/32/135165932.db2.gz NBDJCEAGCSTTJY-FRRDWIJNSA-N 2 0 226.364 1.615 20 0 BDADRP FCC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000087776592 135167961 /nfs/dbraw/zinc/16/79/61/135167961.db2.gz QXHQRBDJEUSINM-NSHDSACASA-N 2 0 200.301 1.420 20 0 BDADRP COCC(C)(C)C[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000261534909 135168676 /nfs/dbraw/zinc/16/86/76/135168676.db2.gz NJPZKYIVEGKNRB-GHMZBOCLSA-N 2 0 214.353 1.247 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCSC1 ZINC000261535533 135169630 /nfs/dbraw/zinc/16/96/30/135169630.db2.gz OMAXGHYIUQOOGE-MNOVXSKESA-N 2 0 228.405 1.717 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+](C)C[C@H]2CCCO2)CC[NH2+]1 ZINC000261535430 135169909 /nfs/dbraw/zinc/16/99/09/135169909.db2.gz YTTYXAJJWPTPPX-JHJVBQTASA-N 2 0 226.364 1.485 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](CC[C@H]2CCCO2)C1 ZINC000261535701 135170226 /nfs/dbraw/zinc/17/02/26/135170226.db2.gz PCDQAZNZUQFFBE-VXGBXAGGSA-N 2 0 212.337 1.226 20 0 BDADRP CC1(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CCC1 ZINC000261536323 135171414 /nfs/dbraw/zinc/17/14/14/135171414.db2.gz RGMJTHMAGCYOIY-SDDRHHMPSA-N 2 0 208.349 1.846 20 0 BDADRP FCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000261538488 135176297 /nfs/dbraw/zinc/17/62/97/135176297.db2.gz YGNIDJGMBYRTAV-SDDRHHMPSA-N 2 0 214.328 1.856 20 0 BDADRP COCC(C)(C)C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000261539888 135178724 /nfs/dbraw/zinc/17/87/24/135178724.db2.gz DHHZSGUYUQEVDQ-QWRGUYRKSA-N 2 0 214.353 1.328 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@H]1CCCC[C@H]1C[NH3+] ZINC000261539967 135178955 /nfs/dbraw/zinc/17/89/55/135178955.db2.gz CVHGVEFHNFIGBR-IHRRRGAJSA-N 2 0 241.423 1.824 20 0 BDADRP CC[N@H+](CCN[C@@H]1CCCC[C@H]1C[NH3+])C1CC1 ZINC000261540306 135179189 /nfs/dbraw/zinc/17/91/89/135179189.db2.gz FVYIOZKBMGZLHN-GXTWGEPZSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@@H]1C[C@@H](N(C)C[C@H]2CCC[NH2+]C2)CC[N@@H+]1C ZINC000261540355 135179250 /nfs/dbraw/zinc/17/92/50/135179250.db2.gz GFRGGDJNIFQADD-RDBSUJKOSA-N 2 0 239.407 1.401 20 0 BDADRP c1ccc(CC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261540427 135179409 /nfs/dbraw/zinc/17/94/09/135179409.db2.gz ADFMASSMHUHMNF-GJZGRUSLSA-N 2 0 230.355 1.913 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)C1(C)C ZINC000261540133 135179414 /nfs/dbraw/zinc/17/94/14/135179414.db2.gz DVASKOAQVMRTBF-RWMBFGLXSA-N 2 0 240.391 1.779 20 0 BDADRP c1ccc(CC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261540428 135179568 /nfs/dbraw/zinc/17/95/68/135179568.db2.gz ADFMASSMHUHMNF-HUUCEWRRSA-N 2 0 230.355 1.913 20 0 BDADRP C[N@H+](CC[C@H]1CCOC1)C1CC[NH2+]CC1 ZINC000261540817 135180089 /nfs/dbraw/zinc/18/00/89/135180089.db2.gz FHHOLLNZXRDQSG-NSHDSACASA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H](NCC[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261543718 135184557 /nfs/dbraw/zinc/18/45/57/135184557.db2.gz HZMMPLXADWNISX-UKRRQHHQSA-N 2 0 247.386 1.445 20 0 BDADRP C([C@H]1CCC[NH2+]C1)[N@@H+]1CCC2(CCC2)C1 ZINC000261548368 135187074 /nfs/dbraw/zinc/18/70/74/135187074.db2.gz NPGRNZWZOPSFMY-LBPRGKRZSA-N 2 0 208.349 1.862 20 0 BDADRP Cc1cnn(CC[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000261549022 135187279 /nfs/dbraw/zinc/18/72/79/135187279.db2.gz KDHIASSEWPTDNB-STQMWFEESA-N 2 0 236.363 1.251 20 0 BDADRP CC(C)C[C@@H]1CC[N@H+](CCOCC[NH3+])C1 ZINC000261548685 135187614 /nfs/dbraw/zinc/18/76/14/135187614.db2.gz NVSWNBMXXKJSDX-LBPRGKRZSA-N 2 0 214.353 1.330 20 0 BDADRP CCn1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cn1 ZINC000261550996 135190027 /nfs/dbraw/zinc/19/00/27/135190027.db2.gz LSHQQAOYGRXRNI-AVGNSLFASA-N 2 0 234.347 1.072 20 0 BDADRP Cn1cc(CC[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cn1 ZINC000261550857 135190353 /nfs/dbraw/zinc/19/03/53/135190353.db2.gz RIZOQUJSELHVMN-IHRRRGAJSA-N 2 0 248.374 1.022 20 0 BDADRP Cn1cc(CC[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cn1 ZINC000261550859 135190441 /nfs/dbraw/zinc/19/04/41/135190441.db2.gz RIZOQUJSELHVMN-MELADBBJSA-N 2 0 248.374 1.022 20 0 BDADRP CCn1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cn1 ZINC000261550998 135190505 /nfs/dbraw/zinc/19/05/05/135190505.db2.gz LSHQQAOYGRXRNI-XQQFMLRXSA-N 2 0 234.347 1.072 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]1C[NH3+])[C@@H]1CCCO1 ZINC000084218346 135192471 /nfs/dbraw/zinc/19/24/71/135192471.db2.gz ORCZWONGARIJRY-QCNOEVLYSA-N 2 0 212.337 1.271 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCCOCC1CC1 ZINC000084218228 135192510 /nfs/dbraw/zinc/19/25/10/135192510.db2.gz ZJLHCDWDXINTMZ-CHWSQXEVSA-N 2 0 226.364 1.520 20 0 BDADRP Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000261554639 135194468 /nfs/dbraw/zinc/19/44/68/135194468.db2.gz BAAHUFOLXLNSFE-QJPTWQEYSA-N 2 0 247.342 1.265 20 0 BDADRP c1cncc(CC[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261557794 135198341 /nfs/dbraw/zinc/19/83/41/135198341.db2.gz SBRUGBYNWDLMOC-UONOGXRCSA-N 2 0 231.343 1.165 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCOc3ccccc3)C[C@H]12 ZINC000261558207 135198733 /nfs/dbraw/zinc/19/87/33/135198733.db2.gz CZMBIXKLBILUPF-VHDGCEQUSA-N 2 0 246.354 1.735 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]12 ZINC000261561490 135202812 /nfs/dbraw/zinc/20/28/12/135202812.db2.gz APOBXWBPDQGEBP-RAIGVLPGSA-N 2 0 217.316 1.251 20 0 BDADRP C[C@@H]1C[C@@H]1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000261561236 135202929 /nfs/dbraw/zinc/20/29/29/135202929.db2.gz ANEJQRARWDNMBO-FHUSYTEZSA-N 2 0 208.349 1.702 20 0 BDADRP CC(C)n1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000261563071 135205241 /nfs/dbraw/zinc/20/52/41/135205241.db2.gz GVCUFMKSVMLKON-FPMFFAJLSA-N 2 0 248.374 1.633 20 0 BDADRP COCC1(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])CCC1 ZINC000261568739 135210450 /nfs/dbraw/zinc/21/04/50/135210450.db2.gz FURRKIAPTHYYGC-NWDGAFQWSA-N 2 0 226.364 1.520 20 0 BDADRP CC1(C)C[N@H+](CC2CC[NH2+]CC2)CC[C@H]1O ZINC000261572422 135215090 /nfs/dbraw/zinc/21/50/90/135215090.db2.gz IDRJXIZKARYKNU-GFCCVEGCSA-N 2 0 226.364 1.079 20 0 BDADRP c1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000084385015 135217804 /nfs/dbraw/zinc/21/78/04/135217804.db2.gz DMOINVGPLOIQLS-ZDUSSCGKSA-N 2 0 204.317 1.776 20 0 BDADRP C[C@@H](O)C[N@@H+](C[C@H](C)[NH3+])C1CCCCC1 ZINC000261580070 135220970 /nfs/dbraw/zinc/22/09/70/135220970.db2.gz MQHNJQGFDBSRBT-WDEREUQCSA-N 2 0 214.353 1.349 20 0 BDADRP Cc1ncccc1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000261580659 135221524 /nfs/dbraw/zinc/22/15/24/135221524.db2.gz NBIQFEDYPOCWMC-JQWIXIFHSA-N 2 0 219.332 1.559 20 0 BDADRP C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CCN ZINC000261582063 135222301 /nfs/dbraw/zinc/22/23/01/135222301.db2.gz OBJHDRCSEFLTOG-OCCSQVGLSA-N 2 0 218.344 1.898 20 0 BDADRP Cc1ncccc1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000261587930 135228343 /nfs/dbraw/zinc/22/83/43/135228343.db2.gz RYUNGSWYDMZDAM-ZYHUDNBSSA-N 2 0 219.332 1.559 20 0 BDADRP CC1(C)C[N@H+](C[C@H]2CCC[NH2+]C2)CC[C@@H]1O ZINC000261589400 135229994 /nfs/dbraw/zinc/22/99/94/135229994.db2.gz TXSJBVKHDCIDHU-RYUDHWBXSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@H](O)C[C@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261591162 135232126 /nfs/dbraw/zinc/23/21/26/135232126.db2.gz VCQZCABLUQSLFG-RWMBFGLXSA-N 2 0 226.364 1.221 20 0 BDADRP CC(C)OCC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261593406 135233473 /nfs/dbraw/zinc/23/34/73/135233473.db2.gz WUFXBDONLJQVMW-UHFFFAOYSA-N 2 0 226.364 1.487 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]12 ZINC000261595252 135235346 /nfs/dbraw/zinc/23/53/46/135235346.db2.gz XZORXWRVIICXJB-FRRDWIJNSA-N 2 0 224.348 1.082 20 0 BDADRP C[C@H]1CSCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261547013 135239177 /nfs/dbraw/zinc/23/91/77/135239177.db2.gz LOERQXDSPGWNMX-VXGBXAGGSA-N 2 0 228.405 1.671 20 0 BDADRP CC[C@@]1(CO)CCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261684117 135245652 /nfs/dbraw/zinc/24/56/52/135245652.db2.gz AFCQOLYDOUUFKG-ZIAGYGMSSA-N 2 0 240.391 1.471 20 0 BDADRP COc1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)ccc1C ZINC000261766630 135251944 /nfs/dbraw/zinc/25/19/44/135251944.db2.gz DKMOYJONVXRUGQ-ZDUSSCGKSA-N 2 0 234.343 1.784 20 0 BDADRP CC(C)n1nccc1CN1C[C@H](C[NH3+])C[C@@H]1C ZINC000261796110 135253313 /nfs/dbraw/zinc/25/33/13/135253313.db2.gz GPHJXQAIDFGZEA-RYUDHWBXSA-N 2 0 236.363 1.633 20 0 BDADRP c1nc(C2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)c[nH]1 ZINC000261790386 135253814 /nfs/dbraw/zinc/25/38/14/135253814.db2.gz GDWJZDZXOZVHFF-LBPRGKRZSA-N 2 0 248.374 1.589 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](CC[C@H]2CCOC2)C1 ZINC000261831531 135255977 /nfs/dbraw/zinc/25/59/77/135255977.db2.gz JBZSZPIBHHNCMD-STQMWFEESA-N 2 0 226.364 1.474 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000261833771 135256016 /nfs/dbraw/zinc/25/60/16/135256016.db2.gz JIIBOUWMLFHXBU-HZSPNIEDSA-N 2 0 238.375 1.344 20 0 BDADRP [NH3+]CC[C@H]1CCC[N@H+](CC[C@H]2CCOC2)C1 ZINC000261831525 135256102 /nfs/dbraw/zinc/25/61/02/135256102.db2.gz JBZSZPIBHHNCMD-OLZOCXBDSA-N 2 0 226.364 1.474 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000261831527 135256346 /nfs/dbraw/zinc/25/63/46/135256346.db2.gz JBZSZPIBHHNCMD-QWHCGFSZSA-N 2 0 226.364 1.474 20 0 BDADRP Cc1ccc(NC(=O)C[C@@H](C)[NH3+])c(C[NH+](C)C)c1 ZINC000261839007 135257162 /nfs/dbraw/zinc/25/71/62/135257162.db2.gz NSNBUZWJWWSKLA-LLVKDONJSA-N 2 0 249.358 1.732 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)[C@@H]1CCCCO1 ZINC000261963588 135266686 /nfs/dbraw/zinc/26/66/86/135266686.db2.gz ADYFISGTHTZKST-XQQFMLRXSA-N 2 0 226.364 1.676 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@H]21 ZINC000261963894 135266952 /nfs/dbraw/zinc/26/69/52/135266952.db2.gz POUUNOZTGIHLSF-AAVRWANBSA-N 2 0 238.375 1.472 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)[C@@H]1CCCCO1 ZINC000261963583 135267125 /nfs/dbraw/zinc/26/71/25/135267125.db2.gz ADYFISGTHTZKST-AVGNSLFASA-N 2 0 226.364 1.676 20 0 BDADRP C[N@H+](CC[C@H]1CCOC1)[C@H]1CCC[NH2+]CC1 ZINC000261970204 135268035 /nfs/dbraw/zinc/26/80/35/135268035.db2.gz QGHKHBFPSHSYNK-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP C[C@H]([NH2+]C1CC[NH2+]CC1)[C@H]1CCCCO1 ZINC000261986180 135269540 /nfs/dbraw/zinc/26/95/40/135269540.db2.gz JZELNBBXCIQSQE-CMPLNLGQSA-N 2 0 212.337 1.286 20 0 BDADRP COCC(C)(C)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000262005048 135271145 /nfs/dbraw/zinc/27/11/45/135271145.db2.gz UMALFYGMKNYJFM-LBPRGKRZSA-N 2 0 228.380 1.720 20 0 BDADRP c1cn(C[C@@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)cn1 ZINC000262002302 135271198 /nfs/dbraw/zinc/27/11/98/135271198.db2.gz UGQDLOFYCIZSKO-AWEZNQCLSA-N 2 0 248.374 1.347 20 0 BDADRP CCN1C[C@@H](C)[N@H+](CC2CC[NH2+]CC2)C[C@H]1C ZINC000262013576 135272912 /nfs/dbraw/zinc/27/29/12/135272912.db2.gz VHMLGCFIEVJKKG-CHWSQXEVSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000262048793 135275765 /nfs/dbraw/zinc/27/57/65/135275765.db2.gz ZJEOWIZEATZPEG-NEPJUHHUSA-N 2 0 226.364 1.472 20 0 BDADRP c1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)CO2 ZINC000262248923 135287906 /nfs/dbraw/zinc/28/79/06/135287906.db2.gz PUBYGRIWPUZARK-TZMCWYRMSA-N 2 0 246.354 1.579 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262366158 135297049 /nfs/dbraw/zinc/29/70/49/135297049.db2.gz LCOKYFUSDXJVIH-QWRGUYRKSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@@H](C[NH2+][C@H]1CCC1(C)C)N1CC[NH+](C)CC1 ZINC000342699267 135306578 /nfs/dbraw/zinc/30/65/78/135306578.db2.gz NXSAMXDTPYKQHO-STQMWFEESA-N 2 0 239.407 1.401 20 0 BDADRP CCC1CC([NH2+]C[C@H](C)N2CC[NH+](C)CC2)C1 ZINC000342694297 135306667 /nfs/dbraw/zinc/30/66/67/135306667.db2.gz DJMRXOPWXINYRJ-HSBZDZAISA-N 2 0 239.407 1.401 20 0 BDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCC1(C)C ZINC000342725668 135315630 /nfs/dbraw/zinc/31/56/30/135315630.db2.gz GTWXCUCYEKWHIC-QWHCGFSZSA-N 2 0 239.407 1.401 20 0 BDADRP Cc1cnc(CN2CC[C@H]3CC[N@H+](C)C[C@H]32)n1C ZINC000342779096 135317706 /nfs/dbraw/zinc/31/77/06/135317706.db2.gz OLPGLMBUTMRGEA-CHWSQXEVSA-N 2 0 248.374 1.255 20 0 BDADRP NC(=[NH2+])NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000262790076 135318419 /nfs/dbraw/zinc/31/84/19/135318419.db2.gz KKZFOIIRNXRUMJ-LLVKDONJSA-N 2 0 224.352 1.267 20 0 BDADRP [NH3+]CCN1CCC([C@@H](O)c2ccccc2)CC1 ZINC000262964338 135325164 /nfs/dbraw/zinc/32/51/64/135325164.db2.gz LBMPPNLUDVATON-AWEZNQCLSA-N 2 0 234.343 1.391 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000334313164 135351549 /nfs/dbraw/zinc/35/15/49/135351549.db2.gz LOEUQYXXIJWQDD-NSHDSACASA-N 3 0 225.380 1.045 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCSC1 ZINC000299962797 135383121 /nfs/dbraw/zinc/38/31/21/135383121.db2.gz GXEOXROYBYBUKJ-WYUUTHIRSA-N 2 0 228.405 1.810 20 0 BDADRP CCC[NH+]1CCC([NH2+]Cc2cc[nH]c2)CC1 ZINC000080773414 135384668 /nfs/dbraw/zinc/38/46/68/135384668.db2.gz LAYPKLRXBTXNMV-UHFFFAOYSA-N 2 0 221.348 1.979 20 0 BDADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]CC1(C)COC1 ZINC000079472574 135397504 /nfs/dbraw/zinc/39/75/04/135397504.db2.gz ZOQFQFGHHSPXES-ZDUSSCGKSA-N 2 0 240.391 1.877 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@H]1CCCOCC1 ZINC000083424429 135448327 /nfs/dbraw/zinc/44/83/27/135448327.db2.gz XQGXETSULLCRNQ-ZDUSSCGKSA-N 2 0 228.380 1.877 20 0 BDADRP CCCC[NH+]1CCC(OCCC[NH3+])CC1 ZINC000086723466 135494909 /nfs/dbraw/zinc/49/49/09/135494909.db2.gz JYGJCZCBPSDDQD-UHFFFAOYSA-N 2 0 214.353 1.616 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1NCC1([NH3+])CCCCCC1 ZINC000335061911 135886271 /nfs/dbraw/zinc/88/62/71/135886271.db2.gz ZLEQOIOTNAZYFG-OLZOCXBDSA-N 2 0 239.407 1.626 20 0 BDADRP C[N@H+](CCc1nccs1)C[C@H]1CCC[NH2+]C1 ZINC000346993109 135988179 /nfs/dbraw/zinc/98/81/79/135988179.db2.gz UNEIAIJJKCDEMO-NSHDSACASA-N 2 0 239.388 1.617 20 0 BDADRP Oc1cccnc1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000347883700 136014671 /nfs/dbraw/zinc/01/46/71/136014671.db2.gz VIXKYRVEYUCOIZ-RYUDHWBXSA-N 2 0 247.342 1.504 20 0 BDADRP CC[C@@H]1CC[C@H]1[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000348119177 136032292 /nfs/dbraw/zinc/03/22/92/136032292.db2.gz NEAAMQSENODRPR-MGPQQGTHSA-N 2 0 239.407 1.401 20 0 BDADRP [NH3+][C@H]1CCN(Cc2cc3ccccc3[nH]c2=O)C1 ZINC000335335240 136055597 /nfs/dbraw/zinc/05/55/97/136055597.db2.gz NLEDQTYSSUJDDZ-LBPRGKRZSA-N 2 0 243.310 1.473 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)C(C)C)[C@H](C)C1 ZINC000348270740 136059012 /nfs/dbraw/zinc/05/90/12/136059012.db2.gz HTOZOMDPEONFDZ-RDBSUJKOSA-N 2 0 242.407 1.571 20 0 BDADRP Fc1cccc2c1CC[C@H]2[NH2+]CC1C[NH2+]C1 ZINC000335552984 136098588 /nfs/dbraw/zinc/09/85/88/136098588.db2.gz QZZFRZRFHXENBJ-CYBMUJFWSA-N 2 0 220.291 1.622 20 0 BDADRP CC1(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CC[NH2+]CC1 ZINC000335567218 136107963 /nfs/dbraw/zinc/10/79/63/136107963.db2.gz DUIIJKAFIHLXCX-QWHCGFSZSA-N 3 0 239.407 1.626 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCNCC2(C)C)CC[NH2+]1 ZINC000647500455 397759061 /nfs/dbraw/zinc/75/90/61/397759061.db2.gz REZZGEPYLHOBCZ-NEPJUHHUSA-N 2 0 225.380 1.058 20 0 BDADRP CC1(F)CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000257843660 397830563 /nfs/dbraw/zinc/83/05/63/397830563.db2.gz CLFCDRKBPADXQV-JTQLQIEISA-N 2 0 200.301 1.420 20 0 BDADRP CC[C@H](C[NH2+][C@@H]1CN(C2CC2)C[C@H]1C)OC ZINC000310000139 397873791 /nfs/dbraw/zinc/87/37/91/397873791.db2.gz DNKROUVBWPMMAV-RAIGVLPGSA-N 2 0 226.364 1.484 20 0 BDADRP C[NH+](C)CC(C)(C)C[NH2+]C[C@@H]1CCCOC1 ZINC000082580293 397955773 /nfs/dbraw/zinc/95/57/73/397955773.db2.gz RRRDTWIZXMHDEX-LBPRGKRZSA-N 2 0 228.380 1.590 20 0 BDADRP [NH3+]C1(c2noc([C@H]3CC[C@H](C4CC4)[NH2+]3)n2)CCC1 ZINC000650227691 397997468 /nfs/dbraw/zinc/99/74/68/397997468.db2.gz IWRWTXYLRHPAEZ-NXEZZACHSA-N 2 0 248.330 1.611 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000414648248 398002010 /nfs/dbraw/zinc/00/20/10/398002010.db2.gz AUEURSIASMOHPX-FRRDWIJNSA-N 2 0 227.396 1.562 20 0 BDADRP CC(C)O[C@@H]1CC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000645944875 398005398 /nfs/dbraw/zinc/00/53/98/398005398.db2.gz SEMUQZMPVZWNTN-ZIAGYGMSSA-N 2 0 240.391 1.970 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCN[C@@H](C)[C@H]2C)CC[NH2+]1 ZINC000414659251 398008560 /nfs/dbraw/zinc/00/85/60/398008560.db2.gz KVMNBWHWMWJSFI-YVECIDJPSA-N 2 0 225.380 1.057 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414662208 398010259 /nfs/dbraw/zinc/01/02/59/398010259.db2.gz QPNILPOZOFHTOV-UPJWGTAASA-N 2 0 225.380 1.186 20 0 BDADRP C[C@H]1CN(CC[NH2+]C(C)(C)C)[C@@H](C)C[NH2+]1 ZINC000414768413 398031077 /nfs/dbraw/zinc/03/10/77/398031077.db2.gz VAHMPBYQQHZNPN-QWRGUYRKSA-N 2 0 213.369 1.057 20 0 BDADRP COCc1ccc(CN2CC[C@H]([NH3+])[C@H](C)C2)o1 ZINC000382764334 397972521 /nfs/dbraw/zinc/97/25/21/397972521.db2.gz SHVOXUGOPMZQPF-MFKMUULPSA-N 2 0 238.331 1.595 20 0 BDADRP C[C@H](C[NH2+]C[C@@H]1CC[NH2+]C1)CC1CCOCC1 ZINC000414917636 398092972 /nfs/dbraw/zinc/09/29/72/398092972.db2.gz SCUTXJZGFLVZHL-GXTWGEPZSA-N 2 0 240.391 1.638 20 0 BDADRP CC(C)(CO)C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000643475057 398076240 /nfs/dbraw/zinc/07/62/40/398076240.db2.gz ULNIBISUQBXFPD-GHMZBOCLSA-N 2 0 214.353 1.255 20 0 BDADRP C[NH+]1CCC(CC[NH2+]Cc2ccns2)CC1 ZINC000404418848 398085358 /nfs/dbraw/zinc/08/53/58/398085358.db2.gz HAVHYUNROIOLSF-UHFFFAOYSA-N 2 0 239.388 1.965 20 0 BDADRP C[N@H+](CCOCc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000384000283 398055564 /nfs/dbraw/zinc/05/55/64/398055564.db2.gz DOHINBAZCHRISM-HNNXBMFYSA-N 2 0 248.370 1.745 20 0 BDADRP CC(C)[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000032012988 167099208 /nfs/dbraw/zinc/09/92/08/167099208.db2.gz OHQQGCMNFOOYRL-UHFFFAOYSA-N 2 0 214.353 1.220 20 0 BDADRP C[N@@H+]1CCN(CCC[NH3+])c2ccccc2C1 ZINC000334852433 487573694 /nfs/dbraw/zinc/57/36/94/487573694.db2.gz DJASVQKJIYHIMD-UHFFFAOYSA-N 2 0 219.332 1.287 20 0 BDADRP CC[C@@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662251666 409548279 /nfs/dbraw/zinc/54/82/79/409548279.db2.gz DGVMTWQGCAXHSW-NEPJUHHUSA-N 2 0 224.348 1.382 20 0 BDADRP C[C@@H]1C[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@H]1C ZINC000662253592 409551102 /nfs/dbraw/zinc/55/11/02/409551102.db2.gz ANXOVWXQOTXFRC-UTUOFQBUSA-N 2 0 224.348 1.095 20 0 BDADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)CC1=CCCOC1 ZINC000662304912 409628218 /nfs/dbraw/zinc/62/82/18/409628218.db2.gz DHTSZEQDSHFBLC-CYBMUJFWSA-N 2 0 238.375 1.655 20 0 BDADRP Cn1cncc1CCC[NH+]1CCC(C)([NH3+])CC1 ZINC000662270773 409573112 /nfs/dbraw/zinc/57/31/12/409573112.db2.gz NAQAHGDPFOIREQ-UHFFFAOYSA-N 2 0 236.363 1.166 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@@](C)(C[NH3+])C1)C1CCCC1 ZINC000662274790 409585405 /nfs/dbraw/zinc/58/54/05/409585405.db2.gz ZYDZMYHFHSWXJS-KGLIPLIRSA-N 2 0 240.391 1.862 20 0 BDADRP C1=CCC(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000662274963 409585898 /nfs/dbraw/zinc/58/58/98/409585898.db2.gz ZNRIDYKDBRJDDZ-STQMWFEESA-N 2 0 206.333 1.636 20 0 BDADRP C1=CCC(C[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000662276422 409591472 /nfs/dbraw/zinc/59/14/72/409591472.db2.gz MMAWBWSWTWUAAM-QWHCGFSZSA-N 2 0 206.333 1.636 20 0 BDADRP C[C@H]([NH3+])c1ccc(C(=O)N(C)CC(C)(C)[NH3+])cc1 ZINC000662606064 409781494 /nfs/dbraw/zinc/78/14/94/409781494.db2.gz XSXIXJYFEOSFPO-JTQLQIEISA-N 2 0 249.358 1.516 20 0 BDADRP C[C@@H]1CCCN(C(=O)CC(C)(C)[NH3+])[C@H]1CC[NH3+] ZINC000653233450 410175393 /nfs/dbraw/zinc/17/53/93/410175393.db2.gz WSMPWIKFWRGIIS-MNOVXSKESA-N 2 0 241.379 1.090 20 0 BDADRP C[C@H]1CCCN(C(=O)CC(C)(C)[NH3+])[C@@H]1CC[NH3+] ZINC000653233452 410175538 /nfs/dbraw/zinc/17/55/38/410175538.db2.gz WSMPWIKFWRGIIS-WDEREUQCSA-N 2 0 241.379 1.090 20 0 BDADRP Cc1cc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)cs1 ZINC000309037738 410205922 /nfs/dbraw/zinc/20/59/22/410205922.db2.gz HISYZUIGTQTHDT-RYUDHWBXSA-N 2 0 222.357 1.708 20 0 BDADRP C[NH2+]C[C@H](C)N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000663512942 410283526 /nfs/dbraw/zinc/28/35/26/410283526.db2.gz HWXDIXIJRHGFAZ-QNWHQSFQSA-N 2 0 225.380 1.105 20 0 BDADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000650709371 410340751 /nfs/dbraw/zinc/34/07/51/410340751.db2.gz WPUIXXVVFOLEOH-IHRRRGAJSA-N 3 0 237.391 1.047 20 0 BDADRP COc1ccccc1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650712171 410342384 /nfs/dbraw/zinc/34/23/84/410342384.db2.gz TYFUIBJRFUNVRN-UHFFFAOYSA-N 2 0 234.343 1.914 20 0 BDADRP [NH3+]CC1(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000650713993 410344800 /nfs/dbraw/zinc/34/48/00/410344800.db2.gz MGWJMBRCHUOLKQ-YNEHKIRRSA-N 3 0 237.391 1.093 20 0 BDADRP [NH3+]CC1(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000650713991 410344864 /nfs/dbraw/zinc/34/48/64/410344864.db2.gz MGWJMBRCHUOLKQ-JHJVBQTASA-N 3 0 237.391 1.093 20 0 BDADRP C[NH2+]Cc1ccccc1CN[C@H]1C[NH2+]C[C@@H](C)C1 ZINC000650720606 410361110 /nfs/dbraw/zinc/36/11/10/410361110.db2.gz VTYKDMVMWKXYMA-SWLSCSKDSA-N 3 0 247.386 1.494 20 0 BDADRP CC(C)C[N@H+](C)CCCN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000650739961 410372697 /nfs/dbraw/zinc/37/26/97/410372697.db2.gz CQNXRJFCWNLSTL-KGLIPLIRSA-N 2 0 241.423 1.694 20 0 BDADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1cncs1 ZINC000650744113 410380284 /nfs/dbraw/zinc/38/02/84/410380284.db2.gz GOQCHYOJYQRHCK-VIFPVBQESA-N 2 0 225.361 1.923 20 0 BDADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)[C@@H]1CCOC1 ZINC000650744419 410381259 /nfs/dbraw/zinc/38/12/59/410381259.db2.gz NMNSPFMAZMNFIZ-WDEREUQCSA-N 2 0 212.337 1.130 20 0 BDADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1cscn1 ZINC000650745144 410382446 /nfs/dbraw/zinc/38/24/46/410382446.db2.gz ADULGEZWAZIGLL-VIFPVBQESA-N 2 0 225.361 1.923 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC2(C[NH3+])CC2)CCO1 ZINC000650745790 410382973 /nfs/dbraw/zinc/38/29/73/410382973.db2.gz NYVSCOSDVISPLD-GHMZBOCLSA-N 2 0 212.337 1.273 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCC2(C[NH3+])CC2)CN1C1CC1 ZINC000650745527 410383292 /nfs/dbraw/zinc/38/32/92/410383292.db2.gz IQGNTNFRLZOIJL-NWDGAFQWSA-N 2 0 237.391 1.330 20 0 BDADRP Cc1cc([C@H](C)[NH2+]CCC2(C[NH3+])CC2)no1 ZINC000650747118 410385737 /nfs/dbraw/zinc/38/57/37/410385737.db2.gz SDFSCYFXDZEERD-JTQLQIEISA-N 2 0 223.320 1.763 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC2(C[NH3+])CC2)[C@@H](C)O1 ZINC000650747649 410386901 /nfs/dbraw/zinc/38/69/01/410386901.db2.gz FANZAXRRXQYVRG-MXWKQRLJSA-N 2 0 212.337 1.271 20 0 BDADRP CC[C@H]([NH2+]CCC1(C[NH3+])CC1)[C@@H]1CCC[NH2+]1 ZINC000650747772 410387094 /nfs/dbraw/zinc/38/70/94/410387094.db2.gz HJKCDSVYAUFIJZ-RYUDHWBXSA-N 3 0 225.380 1.236 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650747671 410387647 /nfs/dbraw/zinc/38/76/47/410387647.db2.gz FLSBUDQPJAJIHJ-VXGBXAGGSA-N 3 0 225.380 1.093 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650747787 410387992 /nfs/dbraw/zinc/38/79/92/410387992.db2.gz HUZHWGKZUBMRQK-NEPJUHHUSA-N 3 0 225.380 1.223 20 0 BDADRP C[NH2+]Cc1ccccc1CN[C@H]1CCC[C@@H]1[NH3+] ZINC000650756298 410401801 /nfs/dbraw/zinc/40/18/01/410401801.db2.gz YXKJWQCAYLSNFA-KBPBESRZSA-N 2 0 233.359 1.375 20 0 BDADRP C[NH2+]Cc1ccccc1CN[C@H]1C[NH2+]CC[C@@H]1C ZINC000650755578 410402355 /nfs/dbraw/zinc/40/23/55/410402355.db2.gz IEQMWKDZCUAVAS-WFASDCNBSA-N 2 0 247.386 1.494 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000650755558 410402520 /nfs/dbraw/zinc/40/25/20/410402520.db2.gz HPGFZMHESKPZSJ-NWDGAFQWSA-N 3 0 235.375 1.621 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCOC[C@@H]1C ZINC000650757023 410405537 /nfs/dbraw/zinc/40/55/37/410405537.db2.gz MNPPJORDAKJALC-SWLSCSKDSA-N 2 0 248.370 1.921 20 0 BDADRP C[C@H](COCC1CC1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000650760813 410409231 /nfs/dbraw/zinc/40/92/31/410409231.db2.gz MPQJGZDRDPYJMT-LKSINWNRSA-N 2 0 240.391 1.909 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650761552 410410433 /nfs/dbraw/zinc/41/04/33/410410433.db2.gz CCTNHXWCBYNPSN-KGLIPLIRSA-N 3 0 239.407 1.626 20 0 BDADRP C(CC1CC[NH2+]CC1)[NH2+][C@@H]1CCCOCC1 ZINC000650763268 410411424 /nfs/dbraw/zinc/41/14/24/410411424.db2.gz WGISDFFWBVCOOZ-CYBMUJFWSA-N 2 0 226.364 1.535 20 0 BDADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccnn1C ZINC000650763168 410412691 /nfs/dbraw/zinc/41/26/91/410412691.db2.gz SWJHZXNRYZCYHO-NSHDSACASA-N 2 0 236.363 1.460 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCC2CC[NH2+]CC2)CC[N@@H+]1C ZINC000650763924 410414702 /nfs/dbraw/zinc/41/47/02/410414702.db2.gz MHEFBVQRRGAGIU-OCCSQVGLSA-N 3 0 239.407 1.448 20 0 BDADRP C[C@@H](CCNc1ncnc2[nH]ccc21)[NH+](C)C ZINC000664242995 410526433 /nfs/dbraw/zinc/52/64/33/410526433.db2.gz GPYUSZTUUUSTMQ-VIFPVBQESA-N 2 0 233.319 1.662 20 0 BDADRP CC(C)C1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000108324116 410661540 /nfs/dbraw/zinc/66/15/40/410661540.db2.gz PNNLAGBSMWTFJN-LBPRGKRZSA-N 2 0 210.365 1.964 20 0 BDADRP CC(C)[C@@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000309291095 410746175 /nfs/dbraw/zinc/74/61/75/410746175.db2.gz VTIQGBDPMSYOGY-OLZOCXBDSA-N 2 0 230.396 1.664 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC000665249414 410732239 /nfs/dbraw/zinc/73/22/39/410732239.db2.gz PUFAYCXKYCDXRQ-VHSXEESVSA-N 2 0 200.326 1.271 20 0 BDADRP Cn1ncc(C2CC2)c1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000665264965 410736205 /nfs/dbraw/zinc/73/62/05/410736205.db2.gz MYNQMNIMBVLDMP-YPMHNXCESA-N 2 0 248.374 1.515 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@H]1C ZINC000393837404 410764488 /nfs/dbraw/zinc/76/44/88/410764488.db2.gz RGNLSSSEBVJGID-MCIONIFRSA-N 2 0 242.407 1.856 20 0 BDADRP CC[NH+](CC)CCCN1CC[NH2+]C[C@H]1C(C)C ZINC000083369863 169773006 /nfs/dbraw/zinc/77/30/06/169773006.db2.gz IHCBMRODWRHGJK-AWEZNQCLSA-N 2 0 241.423 1.648 20 0 BDADRP C[NH2+]C[C@@H](C)N[C@H](c1ncc[nH]1)c1ccccc1 ZINC000665298020 410820820 /nfs/dbraw/zinc/82/08/20/410820820.db2.gz QJITVUJQGPARIB-YPMHNXCESA-N 2 0 244.342 1.697 20 0 BDADRP CC(C)OCCCC[NH2+][C@@H](C)CCC[NH3+] ZINC000336674037 167207581 /nfs/dbraw/zinc/20/75/81/167207581.db2.gz GZRADVVLVBGFKM-LBPRGKRZSA-N 2 0 216.369 1.909 20 0 BDADRP CC(C)OCCC[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000309420019 167215134 /nfs/dbraw/zinc/21/51/34/167215134.db2.gz JTCCATGKWTULIJ-VXGBXAGGSA-N 2 0 214.353 1.471 20 0 BDADRP CC(C)OCCC[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000336752057 167215741 /nfs/dbraw/zinc/21/57/41/167215741.db2.gz VKHUYGWISAEVCZ-LBPRGKRZSA-N 2 0 214.353 1.472 20 0 BDADRP CC(C)OCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227074910 167233993 /nfs/dbraw/zinc/23/39/93/167233993.db2.gz BMIQDNYLZYSYMO-WDEREUQCSA-N 2 0 200.326 1.081 20 0 BDADRP CC(C)OC[C@H](C)[NH2+]C[C@H]1CCCN1C ZINC000336766936 167265760 /nfs/dbraw/zinc/26/57/60/167265760.db2.gz SOUICABKRJVCMS-NWDGAFQWSA-N 2 0 214.353 1.484 20 0 BDADRP CC[NH2+]CCC[NH2+][C@H](COC)C1CC1 ZINC000397944121 410937974 /nfs/dbraw/zinc/93/79/74/410937974.db2.gz HWFSWMOTPNAOEC-LLVKDONJSA-N 2 0 200.326 1.001 20 0 BDADRP CC(C)[C@@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000104138843 167382171 /nfs/dbraw/zinc/38/21/71/167382171.db2.gz QFGCXQSITLOXTJ-CYBMUJFWSA-N 2 0 241.423 1.647 20 0 BDADRP CC(C)[C@@H](C[NH2+][C@@H](C)CCC[NH3+])N1CCCC1 ZINC000310349927 167399642 /nfs/dbraw/zinc/39/96/42/167399642.db2.gz GVZMQFJWDZTELR-UONOGXRCSA-N 2 0 241.423 1.824 20 0 BDADRP Cc1cnccc1CC[NH2+][C@H](C)c1nncn1C ZINC000397528602 410926083 /nfs/dbraw/zinc/92/60/83/410926083.db2.gz UFFMTHLDNWVZST-LLVKDONJSA-N 2 0 245.330 1.412 20 0 BDADRP Cc1cc(NCCC[N@@H+](C)CC(C)C)ncn1 ZINC000651363718 410953420 /nfs/dbraw/zinc/95/34/20/410953420.db2.gz GGNJARZIHAZRQG-UHFFFAOYSA-N 2 0 236.363 1.597 20 0 BDADRP CC[C@@H]1C[N@H+](CC[C@@H]2CCOC2)CC[C@H]1[NH3+] ZINC000400675935 411159059 /nfs/dbraw/zinc/15/90/59/411159059.db2.gz UZWHSHJJBILITO-JHJVBQTASA-N 2 0 226.364 1.472 20 0 BDADRP CN(CC[NH3+])CCc1noc2ccccc21 ZINC000655940436 411160481 /nfs/dbraw/zinc/16/04/81/411160481.db2.gz SJGLXKCBFZLING-UHFFFAOYSA-N 2 0 219.288 1.261 20 0 BDADRP CC[NH+](CC)CCC[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000661626283 411091966 /nfs/dbraw/zinc/09/19/66/411091966.db2.gz NWZIVPBIDVSJFB-CHWSQXEVSA-N 2 0 242.407 1.667 20 0 BDADRP C[C@@H]([NH3+])CN1CCC[C@H](OC2CCC2)C1 ZINC000655946032 411161364 /nfs/dbraw/zinc/16/13/64/411161364.db2.gz JRYZNXPCKWYDPB-PWSUYJOCSA-N 2 0 212.337 1.367 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)[NH3+])C1(C)C ZINC000300392689 411120640 /nfs/dbraw/zinc/12/06/40/411120640.db2.gz VUULUWLACQZUCG-IVZWLZJFSA-N 2 0 200.326 1.127 20 0 BDADRP CC(C)[NH2+][C@H]1CCCN(C[C@H]2CCC[N@@H+]2C)C1 ZINC000300691286 411125128 /nfs/dbraw/zinc/12/51/28/411125128.db2.gz SBBPJDVSPAYOAG-UONOGXRCSA-N 2 0 239.407 1.543 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401030987 411173472 /nfs/dbraw/zinc/17/34/72/411173472.db2.gz LFFCQYFEUFVESL-AAVRWANBSA-N 2 0 240.391 1.515 20 0 BDADRP c1cnn(CCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000401039022 411173648 /nfs/dbraw/zinc/17/36/48/411173648.db2.gz SOQRNDSDYWDKBX-HZSPNIEDSA-N 2 0 248.374 1.251 20 0 BDADRP CCC[C@H](O)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401046337 411174169 /nfs/dbraw/zinc/17/41/69/411174169.db2.gz GUDMYSLZGAZOMB-XQHKEYJVSA-N 2 0 226.364 1.125 20 0 BDADRP Cc1n[nH]cc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401115929 411176139 /nfs/dbraw/zinc/17/61/39/411176139.db2.gz IJGFHZPTHQASHW-DMDPSCGWSA-N 2 0 234.347 1.196 20 0 BDADRP COCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401117004 411176757 /nfs/dbraw/zinc/17/67/57/411176757.db2.gz IMMBFDHGIRRKEO-GRYCIOLGSA-N 2 0 212.337 1.001 20 0 BDADRP CC(C)CC[C@@H](O)C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656154664 411188741 /nfs/dbraw/zinc/18/87/41/411188741.db2.gz ZMSSQDVNANBJQV-HZSPNIEDSA-N 2 0 242.407 1.713 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CNc3ccccc3C2)C1 ZINC000656193778 411199673 /nfs/dbraw/zinc/19/96/73/411199673.db2.gz RPZLELKLJOKLEP-MGPQQGTHSA-N 2 0 245.370 1.883 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000656193697 411199719 /nfs/dbraw/zinc/19/97/19/411199719.db2.gz PPMFPGAFWHMNOQ-GJZGRUSLSA-N 3 0 247.386 1.766 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000656198606 411203456 /nfs/dbraw/zinc/20/34/56/411203456.db2.gz AFTRIPVQOWEOOZ-AGIUHOORSA-N 2 0 227.396 1.576 20 0 BDADRP COCC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000656200029 411203962 /nfs/dbraw/zinc/20/39/62/411203962.db2.gz INNGLDZLRZEEKB-YNEHKIRRSA-N 2 0 238.375 1.391 20 0 BDADRP COCC1(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000656200295 411204626 /nfs/dbraw/zinc/20/46/26/411204626.db2.gz LBBKVJKNAUCPMO-MNOVXSKESA-N 2 0 212.337 1.273 20 0 BDADRP COc1c(C)cccc1CN[C@H]1CCC[C@@H]1[NH3+] ZINC000656201324 411206105 /nfs/dbraw/zinc/20/61/05/411206105.db2.gz VNHJBMNURRLFIC-STQMWFEESA-N 2 0 234.343 1.973 20 0 BDADRP C[C@H](Cc1ccccn1)[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000656201890 411207623 /nfs/dbraw/zinc/20/76/23/411207623.db2.gz USAMAPNGRFOHDX-QJPTWQEYSA-N 2 0 221.348 1.728 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C)Cc1ccccn1 ZINC000656201895 411208000 /nfs/dbraw/zinc/20/80/00/411208000.db2.gz USAMAPNGRFOHDX-TUAOUCFPSA-N 2 0 221.348 1.728 20 0 BDADRP CCOCCC[NH+]1CCC([NH2+]CCOC)CC1 ZINC000652344924 411208148 /nfs/dbraw/zinc/20/81/48/411208148.db2.gz XKSVSXDYPIADCW-UHFFFAOYSA-N 2 0 244.379 1.113 20 0 BDADRP CC[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652345543 411209222 /nfs/dbraw/zinc/20/92/22/411209222.db2.gz DVFOUTUUEUAMCP-SRVKXCTJSA-N 2 0 212.337 1.225 20 0 BDADRP CC(C)OCCC[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351896 411211783 /nfs/dbraw/zinc/21/17/83/411211783.db2.gz FZZGKERQKSNVAM-KBPBESRZSA-N 2 0 240.391 1.862 20 0 BDADRP C[C@H](O)C[N@H+](CC[C@@H]1CCC[NH+]1C)C1CC1 ZINC000653902541 411217918 /nfs/dbraw/zinc/21/79/18/411217918.db2.gz VYKLAABVVIHJGR-RYUDHWBXSA-N 2 0 226.364 1.316 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCCn3nccc32)C1 ZINC000658047236 411218487 /nfs/dbraw/zinc/21/84/87/411218487.db2.gz PKASWHUTISFWOL-XQQFMLRXSA-N 2 0 248.374 1.648 20 0 BDADRP COC[C@H](CC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)OC ZINC000658082032 411233188 /nfs/dbraw/zinc/23/31/88/411233188.db2.gz FZAKDFGLNPDSPD-AGIUHOORSA-N 2 0 244.379 1.110 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCOCC1CC1 ZINC000422884290 411233287 /nfs/dbraw/zinc/23/32/87/411233287.db2.gz DTLKUBSWKNDSAK-YPMHNXCESA-N 2 0 226.364 1.391 20 0 BDADRP COC[C@H](CC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)OC ZINC000658082033 411233340 /nfs/dbraw/zinc/23/33/40/411233340.db2.gz FZAKDFGLNPDSPD-AVGNSLFASA-N 2 0 244.379 1.110 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCc1ccccc1O ZINC000422976276 411235373 /nfs/dbraw/zinc/23/53/73/411235373.db2.gz UVKRISYYFKVXKD-RYUDHWBXSA-N 2 0 220.316 1.404 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000423173552 411235911 /nfs/dbraw/zinc/23/59/11/411235911.db2.gz ZDKHFHQPVKFAJX-QWHCGFSZSA-N 3 0 227.396 1.435 20 0 BDADRP CC[C@@H]([NH2+]C[C@@](C)(O)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000422976512 411236014 /nfs/dbraw/zinc/23/60/14/411236014.db2.gz IMWXTLPECJLNTH-FRRDWIJNSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000423173369 411236509 /nfs/dbraw/zinc/23/65/09/411236509.db2.gz YEEMYKQECSWNLP-ZIAGYGMSSA-N 3 0 241.423 1.825 20 0 BDADRP Cc1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccn1 ZINC000400909327 411165586 /nfs/dbraw/zinc/16/55/86/411165586.db2.gz AUKAVVXFNOAULX-QLFBSQMISA-N 2 0 245.370 1.868 20 0 BDADRP CCCCOCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400973554 411167778 /nfs/dbraw/zinc/16/77/78/411167778.db2.gz QNSXNWZBCFBCIY-MGPQQGTHSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@H]1CC[C@H]([NH2+]CC2([NH3+])CCOCC2)C1 ZINC000129376246 411267483 /nfs/dbraw/zinc/26/74/83/411267483.db2.gz PNFYHIZFHIALJS-QWRGUYRKSA-N 2 0 212.337 1.273 20 0 BDADRP C[C@H]1CC[C@@H]([NH2+]CC2([NH3+])CCOCC2)C1 ZINC000129376643 411267603 /nfs/dbraw/zinc/26/76/03/411267603.db2.gz PNFYHIZFHIALJS-WDEREUQCSA-N 2 0 212.337 1.273 20 0 BDADRP CC[N@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CCCOC1 ZINC000402606141 411272737 /nfs/dbraw/zinc/27/27/37/411272737.db2.gz ULYMXMXAHZFFPI-VXGBXAGGSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)C1(CO)CC1)C1CC[NH+](C)CC1 ZINC000658159788 411273094 /nfs/dbraw/zinc/27/30/94/411273094.db2.gz KWMFKRNNOOXEOG-NEPJUHHUSA-N 2 0 240.391 1.467 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)C2(CO)CC2)[C@H](C)C1 ZINC000658162420 411275844 /nfs/dbraw/zinc/27/58/44/411275844.db2.gz XJOFKCQGLSRNEP-UPJWGTAASA-N 2 0 240.391 1.467 20 0 BDADRP CC[N@H+](CC[C@H]1CC[NH2+]C1)[C@@H]1CCCOC1 ZINC000402615145 411278924 /nfs/dbraw/zinc/27/89/24/411278924.db2.gz RELBGGXPHCCDBX-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H](C)OC)[C@H](C)C1 ZINC000658170724 411280383 /nfs/dbraw/zinc/28/03/83/411280383.db2.gz MVYMPXPVNGPWEO-GRYCIOLGSA-N 2 0 214.353 1.341 20 0 BDADRP COCC[N@H+](CC(C)C)C[C@@H]1CC[NH2+]C1 ZINC000051889718 411285640 /nfs/dbraw/zinc/28/56/40/411285640.db2.gz ZZXVLXXOIQHCBC-GFCCVEGCSA-N 2 0 214.353 1.200 20 0 BDADRP CC(C)[NH2+]C1CCN(C[C@H]2CCC[N@@H+]2C)CC1 ZINC000649559146 411290517 /nfs/dbraw/zinc/29/05/17/411290517.db2.gz ROQHUEWHQTUTMG-CQSZACIVSA-N 2 0 239.407 1.543 20 0 BDADRP CC[N@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@H]1CCCOC1 ZINC000402782051 411316473 /nfs/dbraw/zinc/31/64/73/411316473.db2.gz OAQHUHWXUPYEMW-MJBXVCDLSA-N 2 0 240.391 1.875 20 0 BDADRP C([C@H]1CC[NH2+]C1)[N@@H+]1CCC2(C1)CCOCC2 ZINC000303392202 411317833 /nfs/dbraw/zinc/31/78/33/411317833.db2.gz WPIKFOVXOVNTRC-LBPRGKRZSA-N 2 0 224.348 1.098 20 0 BDADRP CC[C@H]1C[N@H+](CCC2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000403851458 411363238 /nfs/dbraw/zinc/36/32/38/411363238.db2.gz WRCSRLIGLWIKNJ-JSGCOSHPSA-N 2 0 240.391 1.875 20 0 BDADRP CC[NH+]1CCC([NH2+]Cc2cccc(N)c2)CC1 ZINC000656785894 411364780 /nfs/dbraw/zinc/36/47/80/411364780.db2.gz SHMVUXZZGMVBFQ-UHFFFAOYSA-N 2 0 233.359 1.843 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc2c(c1)C[NH2+]CC2 ZINC000656786750 411366038 /nfs/dbraw/zinc/36/60/38/411366038.db2.gz QBIWGLHIKHRZSF-RYUDHWBXSA-N 3 0 247.386 1.548 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc2c(c1)C[NH2+]CC2 ZINC000656786751 411366546 /nfs/dbraw/zinc/36/65/46/411366546.db2.gz QBIWGLHIKHRZSF-VXGBXAGGSA-N 3 0 247.386 1.548 20 0 BDADRP C[C@H]1C[C@@H](C[NH2+]CC2([NH3+])CCCC2)CC[NH2+]1 ZINC000656789524 411369122 /nfs/dbraw/zinc/36/91/22/411369122.db2.gz PMCTYUNWWFLVKX-RYUDHWBXSA-N 3 0 225.380 1.236 20 0 BDADRP c1cc([C@H]2C[NH2+]CCO2)ccc1N[C@H]1CC[NH2+]C1 ZINC000656793257 411371879 /nfs/dbraw/zinc/37/18/79/411371879.db2.gz SBMXXVUNSXSABO-UONOGXRCSA-N 2 0 247.342 1.121 20 0 BDADRP CC1(NC(=O)c2ccc(C[NH3+])cc2)CC[NH2+]CC1 ZINC000193382279 168060993 /nfs/dbraw/zinc/06/09/93/168060993.db2.gz KPOFMHQPCFLMFY-UHFFFAOYSA-N 2 0 247.342 1.017 20 0 BDADRP C[C@@H](O)CCC[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660665081 411377154 /nfs/dbraw/zinc/37/71/54/411377154.db2.gz TZMVRWAJJYYAOP-ZIAGYGMSSA-N 2 0 240.391 1.565 20 0 BDADRP CC1CCC([N@H+](C)CCN2CC[NH2+]CC2)CC1 ZINC000042317387 168158112 /nfs/dbraw/zinc/15/81/12/168158112.db2.gz CVTFLZDPWMNSHA-UHFFFAOYSA-N 2 0 239.407 1.402 20 0 BDADRP CC1CCN(C(=[NH2+])NC[C@@H]2CC[N@H+](C)C2)CC1 ZINC000303264398 168170971 /nfs/dbraw/zinc/17/09/71/168170971.db2.gz SITXDVAJXJAYJF-LBPRGKRZSA-N 2 0 238.379 1.194 20 0 BDADRP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)C1CC1 ZINC000361344881 168182529 /nfs/dbraw/zinc/18/25/29/168182529.db2.gz FYMLSMYCFOQVRB-GXTWGEPZSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)C1CC1 ZINC000361344884 168183291 /nfs/dbraw/zinc/18/32/91/168183291.db2.gz FYMLSMYCFOQVRB-TZMCWYRMSA-N 2 0 240.391 1.467 20 0 BDADRP CO[C@H]1CCC[N@H+](CC(C)(C)[NH3+])CC1 ZINC000306675151 411456200 /nfs/dbraw/zinc/45/62/00/411456200.db2.gz RZAGHKKFLZYZTF-JTQLQIEISA-N 2 0 200.326 1.225 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CC1CCSCC1 ZINC000336686632 411399464 /nfs/dbraw/zinc/39/94/64/411399464.db2.gz LNMPEVZXQKBJSE-JTQLQIEISA-N 2 0 216.394 1.847 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CCOC1 ZINC000397229568 411410187 /nfs/dbraw/zinc/41/01/87/411410187.db2.gz PTFPACQKMGITOB-IJLUTSLNSA-N 2 0 212.337 1.273 20 0 BDADRP c1cc2c(c(C[NH2+]CC[C@@H]3CC[NH2+]C3)c1)OCO2 ZINC000414824150 411446395 /nfs/dbraw/zinc/44/63/95/411446395.db2.gz AIBNXHOWSUUSFR-NSHDSACASA-N 2 0 248.326 1.505 20 0 BDADRP CO[C@@H](C[NH+]1CCC([NH+](C)C)CC1)C1CCC1 ZINC000659836877 411469113 /nfs/dbraw/zinc/46/91/13/411469113.db2.gz BLVCKYKTEBZVQQ-AWEZNQCLSA-N 2 0 240.391 1.828 20 0 BDADRP C[C@@H](O)CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657362279 411480505 /nfs/dbraw/zinc/48/05/05/411480505.db2.gz SLFHRXHMMSKHOE-LLVKDONJSA-N 2 0 246.314 1.128 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1)[C@@H]1CCCO1 ZINC000415089254 411491475 /nfs/dbraw/zinc/49/14/75/411491475.db2.gz YQUPMYRFPLQHGC-CRWXNKLISA-N 2 0 240.391 1.922 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)CCO1 ZINC000069890701 411505887 /nfs/dbraw/zinc/50/58/87/411505887.db2.gz JSRPAFZXEUBPCT-QWHCGFSZSA-N 2 0 228.380 1.875 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCn3ccnc3C2)CO1 ZINC000657450104 411511452 /nfs/dbraw/zinc/51/14/52/411511452.db2.gz IMUIVGLNWIYYSQ-FRRDWIJNSA-N 2 0 249.358 1.603 20 0 BDADRP C[C@@H](Cc1cnccn1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655803857 411518896 /nfs/dbraw/zinc/51/88/96/411518896.db2.gz FJIKGCZHSWVLLN-SGMGOOAPSA-N 2 0 248.374 1.337 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000655804121 411519199 /nfs/dbraw/zinc/51/91/99/411519199.db2.gz QPFZFPCXPGUHMV-MQYQWHSLSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)[C@H]1C ZINC000655804085 411519362 /nfs/dbraw/zinc/51/93/62/411519362.db2.gz OSJALCRLNYOYRK-FHUSYTEZSA-N 2 0 210.365 1.961 20 0 BDADRP COC1CCC([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000655805016 411519807 /nfs/dbraw/zinc/51/98/07/411519807.db2.gz IGTKAFFBUQJLPB-GIPGFSNBSA-N 2 0 240.391 1.874 20 0 BDADRP COC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)C(C)C ZINC000655806308 411520200 /nfs/dbraw/zinc/52/02/00/411520200.db2.gz UTVVPNSVHOHWDB-FRRDWIJNSA-N 2 0 228.380 1.587 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cnccn1 ZINC000655805716 411520549 /nfs/dbraw/zinc/52/05/49/411520549.db2.gz KLXDWCVSUJZOIE-UTUOFQBUSA-N 2 0 234.347 1.467 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC000660000700 411526355 /nfs/dbraw/zinc/52/63/55/411526355.db2.gz ZIIAOJGCRANBCX-FRRDWIJNSA-N 2 0 228.380 1.560 20 0 BDADRP Cc1n[nH]c(C)c1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655826015 411527120 /nfs/dbraw/zinc/52/71/20/411527120.db2.gz CITKNRGAUWIHFE-TXEJJXNPSA-N 2 0 236.363 1.456 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)Cn2cccn2)C1 ZINC000122132941 170007625 /nfs/dbraw/zinc/00/76/25/170007625.db2.gz HRYYWSYVGIIJLZ-STQMWFEESA-N 2 0 236.363 1.203 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(O)c2)C1 ZINC000037644136 170007699 /nfs/dbraw/zinc/00/76/99/170007699.db2.gz PRBQCIOCAUSOGP-ZDUSSCGKSA-N 2 0 234.343 1.824 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH+](C)CC2(C)COC2)[C@@H](C)C1 ZINC000336714354 170009340 /nfs/dbraw/zinc/00/93/40/170009340.db2.gz TUEWRMYYWUDMMQ-QWHCGFSZSA-N 2 0 240.391 1.685 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)C(C)(C)OC)C1 ZINC000300921364 170010663 /nfs/dbraw/zinc/01/06/63/170010663.db2.gz DWMRCSBSGGDQPJ-NEPJUHHUSA-N 2 0 228.380 1.731 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cccnc2)[C@H](C)C1 ZINC000133479305 170011299 /nfs/dbraw/zinc/01/12/99/170011299.db2.gz VNWTWSIJNHDOPG-UKRRQHHQSA-N 2 0 247.386 1.944 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)OC)[C@H](C)C1 ZINC000122212626 170011532 /nfs/dbraw/zinc/01/15/32/170011532.db2.gz GHASHWZEUONMTI-VXGBXAGGSA-N 2 0 228.380 1.731 20 0 BDADRP CC[N@@H+]1CC[C@@H](NCc2cccnc2)[C@H](C)C1 ZINC000173363223 170013030 /nfs/dbraw/zinc/01/30/30/170013030.db2.gz YUYZMELRSSWHIM-TZMCWYRMSA-N 2 0 233.359 1.902 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](C)O)C[C@@H]1C ZINC000336691409 170018254 /nfs/dbraw/zinc/01/82/54/170018254.db2.gz LNZMECABCNOBID-TUAOUCFPSA-N 2 0 214.353 1.172 20 0 BDADRP CC[N@@H+]1CC[C@H](N(C)CCC[NH3+])C[C@@H]1C ZINC000309786299 170018553 /nfs/dbraw/zinc/01/85/53/170018553.db2.gz ODXBFKNCVVQDMC-RYUDHWBXSA-N 2 0 213.369 1.140 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCO)C[C@H]1C ZINC000336650802 170018708 /nfs/dbraw/zinc/01/87/08/170018708.db2.gz TVUZJAMTSLRBLA-NEPJUHHUSA-N 2 0 214.353 1.173 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)CC[C@H](C)O)C[C@@H]1C ZINC000336662606 170019748 /nfs/dbraw/zinc/01/97/48/170019748.db2.gz CMAVVFZOUFKLPV-AVGNSLFASA-N 2 0 228.380 1.562 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CO1 ZINC000657505447 411540104 /nfs/dbraw/zinc/54/01/04/411540104.db2.gz ZLSBTXDKXLFZGA-WUHRBBMRSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN2C(C)(C)C)CO1 ZINC000657526152 411543139 /nfs/dbraw/zinc/54/31/39/411543139.db2.gz BIXHVIIJGDNUNH-GRYCIOLGSA-N 2 0 226.364 1.626 20 0 BDADRP CC[NH2+]CCNc1nc2ccccc2n1C ZINC000070609141 170116594 /nfs/dbraw/zinc/11/65/94/170116594.db2.gz ANTQWRGMGFBQNC-UHFFFAOYSA-N 2 0 218.304 1.595 20 0 BDADRP C[NH+]1CCC(N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000657563691 411552480 /nfs/dbraw/zinc/55/24/80/411552480.db2.gz UDDYPJQOELPLTJ-ZDUSSCGKSA-N 2 0 239.407 1.543 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CN(C)C[C@H]1C)c1ccccn1 ZINC000657533829 411544977 /nfs/dbraw/zinc/54/49/77/411544977.db2.gz DDIUNVYRKVMEMX-YRGRVCCFSA-N 2 0 233.359 1.725 20 0 BDADRP CCOC1(C[NH2+][C@H]2CN(C)C[C@@H]2C)CCCC1 ZINC000339475506 170319851 /nfs/dbraw/zinc/31/98/51/170319851.db2.gz FPFVXYTWOPTARK-STQMWFEESA-N 2 0 240.391 1.875 20 0 BDADRP CCOCCCC[NH2+][C@@H]1CN(CC)C[C@H]1C ZINC000309470817 170369575 /nfs/dbraw/zinc/36/95/75/170369575.db2.gz QQCKNNHMPFMVJS-CHWSQXEVSA-N 2 0 228.380 1.733 20 0 BDADRP CCOCCCC[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000336746404 170369882 /nfs/dbraw/zinc/36/98/82/170369882.db2.gz BJYJPSOYROAVEB-VXGBXAGGSA-N 2 0 214.353 1.343 20 0 BDADRP CCOCCC[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000123375205 170371797 /nfs/dbraw/zinc/37/17/97/170371797.db2.gz ZCBUOSHFDMNIGH-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP CCOCCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000336658810 170375466 /nfs/dbraw/zinc/37/54/66/170375466.db2.gz BFXSTWXBGJIGIW-RYUDHWBXSA-N 2 0 212.337 1.097 20 0 BDADRP CCOCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375762802 170387922 /nfs/dbraw/zinc/38/79/22/170387922.db2.gz ZIKUBLAIQUDKGQ-FUNVUKJBSA-N 2 0 226.364 1.580 20 0 BDADRP C([NH2+][C@@H]1CCOC1)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663345932 411633722 /nfs/dbraw/zinc/63/37/22/411633722.db2.gz PDOPOQKHZXNFIN-UONOGXRCSA-N 2 0 238.375 1.487 20 0 BDADRP Cn1cnc(CN2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000660416659 411582377 /nfs/dbraw/zinc/58/23/77/411582377.db2.gz VSULHXKANAMGOT-ZDUSSCGKSA-N 2 0 236.363 1.336 20 0 BDADRP c1nc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)co1 ZINC000657813263 411603585 /nfs/dbraw/zinc/60/35/85/411603585.db2.gz MHEMXTZMKDTIEG-UHFFFAOYSA-N 2 0 249.358 1.886 20 0 BDADRP C(C[NH2+][C@H]1COC2(CCC2)C1)C[NH+]1CCCC1 ZINC000657823932 411607731 /nfs/dbraw/zinc/60/77/31/411607731.db2.gz MDYRGCWAADSAJP-CYBMUJFWSA-N 2 0 238.375 1.774 20 0 BDADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCCCO)C2 ZINC000660658324 411614621 /nfs/dbraw/zinc/61/46/21/411614621.db2.gz DVMAVOFNIMIOMD-ZDUSSCGKSA-N 2 0 226.364 1.177 20 0 BDADRP CC[C@H](C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)OC ZINC000660663666 411615859 /nfs/dbraw/zinc/61/58/59/411615859.db2.gz OUCXPZJPQSKLDH-KGLIPLIRSA-N 2 0 240.391 1.829 20 0 BDADRP CC[C@@H](C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1)OC ZINC000660663667 411616121 /nfs/dbraw/zinc/61/61/21/411616121.db2.gz OUCXPZJPQSKLDH-UONOGXRCSA-N 2 0 240.391 1.829 20 0 BDADRP CC[C@@H](C)[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660697529 411618310 /nfs/dbraw/zinc/61/83/10/411618310.db2.gz HCBPWYZFSQXTFM-CYBMUJFWSA-N 2 0 242.407 1.857 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1[C@@H](C)CCC1(C)C ZINC000660754540 411621334 /nfs/dbraw/zinc/62/13/34/411621334.db2.gz INDUYACNACKHLR-STQMWFEESA-N 2 0 242.407 1.950 20 0 BDADRP CCO[C@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000042422731 170505419 /nfs/dbraw/zinc/50/54/19/170505419.db2.gz XAUBYVIUSRCBHZ-AWEZNQCLSA-N 2 0 240.391 1.877 20 0 BDADRP C([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)C12CC(C1)C[NH2+]2 ZINC000663498579 411681264 /nfs/dbraw/zinc/68/12/64/411681264.db2.gz QLUBJNAFZVQUDG-DEULPLRUSA-N 2 0 248.370 1.286 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CCO[C@H]1C ZINC000663500708 411683632 /nfs/dbraw/zinc/68/36/32/411683632.db2.gz UCEKKVMLPWJALY-AXFHLTTASA-N 2 0 200.326 1.127 20 0 BDADRP CCC[C@H](C)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662151733 412008566 /nfs/dbraw/zinc/00/85/66/412008566.db2.gz JWZXLWYWXYJAMT-GXTWGEPZSA-N 2 0 240.391 1.706 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCO[C@H]2CC2(F)F)C1 ZINC000662243927 412039624 /nfs/dbraw/zinc/03/96/24/412039624.db2.gz DINHJWUPBZSFKB-DCAQKATOSA-N 2 0 248.317 1.470 20 0 BDADRP C[NH2+]CC1CC[NH+](Cc2cc(C)nc(C)n2)CC1 ZINC000662245502 412041725 /nfs/dbraw/zinc/04/17/25/412041725.db2.gz KGKVCZDMNSTWRJ-UHFFFAOYSA-N 2 0 248.374 1.525 20 0 BDADRP CO[C@@H](C[N@H+](C)CC(C)(C)C[NH3+])C1CCC1 ZINC000662246777 412042480 /nfs/dbraw/zinc/04/24/80/412042480.db2.gz COGYQRPYXPZHIC-LBPRGKRZSA-N 2 0 228.380 1.718 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662246237 412043893 /nfs/dbraw/zinc/04/38/93/412043893.db2.gz RSURAQHYLQSMEO-RNJOBUHISA-N 2 0 208.349 1.716 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@H](C[NH3+])C1)C1CCCC1 ZINC000662247556 412044441 /nfs/dbraw/zinc/04/44/41/412044441.db2.gz XPUFULZXVOHERZ-DGCLKSJQSA-N 2 0 226.364 1.472 20 0 BDADRP CCc1nocc1CN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000662247101 412044738 /nfs/dbraw/zinc/04/47/38/412044738.db2.gz ZDQALEZZVGWWOF-GXSJLCMTSA-N 2 0 223.320 1.406 20 0 BDADRP CO[C@H](C[NH2+][C@](C)(C[NH3+])C1CC1)C1CCC1 ZINC000662247916 412045352 /nfs/dbraw/zinc/04/53/52/412045352.db2.gz OOLZQCHHECSPLW-CHWSQXEVSA-N 2 0 226.364 1.519 20 0 BDADRP CC(C)CC[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250262 412045865 /nfs/dbraw/zinc/04/58/65/412045865.db2.gz COOULHHSJVQQBP-GFCCVEGCSA-N 2 0 226.364 1.485 20 0 BDADRP CCCC[N@H+](CC)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249578 412046609 /nfs/dbraw/zinc/04/66/09/412046609.db2.gz OLZDVTXAMPIVQV-GFCCVEGCSA-N 2 0 226.364 1.629 20 0 BDADRP C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662249630 412047257 /nfs/dbraw/zinc/04/72/57/412047257.db2.gz QQRSDXLLEWVGCF-XQQFMLRXSA-N 2 0 238.375 1.485 20 0 BDADRP CC(C)[C@@H](C)[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252113 412050087 /nfs/dbraw/zinc/05/00/87/412050087.db2.gz MDHUSJSEGYTEJB-NEPJUHHUSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@H]([N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1)C1(C)CC1 ZINC000662257722 412051060 /nfs/dbraw/zinc/05/10/60/412051060.db2.gz FWKDFMYYRYMZRF-RYUDHWBXSA-N 2 0 238.375 1.628 20 0 BDADRP CC[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000359208390 171079180 /nfs/dbraw/zinc/07/91/80/171079180.db2.gz BSKZAIULNQJQPF-TZMCWYRMSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@@H]1COCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000251641620 171107179 /nfs/dbraw/zinc/10/71/79/171107179.db2.gz FZLHEQWEBGRSAA-VXGBXAGGSA-N 2 0 212.337 1.097 20 0 BDADRP CC[C@@](C)(CO)[NH2+]C1CCN(C2CC2)CC1 ZINC000336667803 171170024 /nfs/dbraw/zinc/17/00/24/171170024.db2.gz QLDYMXRDPYAJOP-ZDUSSCGKSA-N 2 0 226.364 1.364 20 0 BDADRP CC[C@@](C)([NH2+]CCOCC[NH3+])c1nccs1 ZINC000357082088 171175173 /nfs/dbraw/zinc/17/51/73/171175173.db2.gz OOQHNJBOCDXJHH-LLVKDONJSA-N 2 0 243.376 1.333 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662283404 412075491 /nfs/dbraw/zinc/07/54/91/412075491.db2.gz NQUHBDNHVRDFPQ-NZEXEKPDSA-N 2 0 208.349 1.892 20 0 BDADRP C[C@H](CO)[C@@H]1CCCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000662300958 412085597 /nfs/dbraw/zinc/08/55/97/412085597.db2.gz NVYYFJVLHNNLAM-UPJWGTAASA-N 2 0 226.364 1.079 20 0 BDADRP CC[C@H](C)[NH2+]CCCN1CCCO[C@@H](C)C1 ZINC000310011123 171340612 /nfs/dbraw/zinc/34/06/12/171340612.db2.gz IPBZYIDMVZDTHL-STQMWFEESA-N 2 0 228.380 1.875 20 0 BDADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)CC(C)(C)[NH3+] ZINC000662294093 412082135 /nfs/dbraw/zinc/08/21/35/412082135.db2.gz IVSZNEHLMBXELJ-LLVKDONJSA-N 3 0 213.369 1.045 20 0 BDADRP OCC[C@H]1CCCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000662298982 412087495 /nfs/dbraw/zinc/08/74/95/412087495.db2.gz IDAVXADSHJNECW-CQSZACIVSA-N 2 0 240.391 1.613 20 0 BDADRP [NH3+]C[C@@H]1CCc2ccccc2N1C[C@H]1CC[NH2+]C1 ZINC000662304471 412089567 /nfs/dbraw/zinc/08/95/67/412089567.db2.gz JRPIYBFIZICALF-JSGCOSHPSA-N 2 0 245.370 1.376 20 0 BDADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(CC[NH3+])C1 ZINC000662307692 412093238 /nfs/dbraw/zinc/09/32/38/412093238.db2.gz YAXHGBJJPHOYTH-HNNXBMFYSA-N 2 0 247.386 1.194 20 0 BDADRP c1cc(C2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)no1 ZINC000662315286 412095386 /nfs/dbraw/zinc/09/53/86/412095386.db2.gz DNFVBEZUKVTLTJ-LBPRGKRZSA-N 2 0 249.358 1.854 20 0 BDADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662316746 412099040 /nfs/dbraw/zinc/09/90/40/412099040.db2.gz MKIOEENNWGMIJC-KGLIPLIRSA-N 2 0 240.391 1.469 20 0 BDADRP c1cnc2c(n1)CC[N@@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000662317982 412099129 /nfs/dbraw/zinc/09/91/29/412099129.db2.gz VJGWQNQFYLVJBK-GFCCVEGCSA-N 2 0 246.358 1.224 20 0 BDADRP CC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662322737 412101592 /nfs/dbraw/zinc/10/15/92/412101592.db2.gz NCBJJCIGEYAIQU-NSHDSACASA-N 2 0 200.326 1.049 20 0 BDADRP Cc1ccc(CN2CCO[C@@H]([C@@H](C)[NH3+])C2)c(C)c1 ZINC000132589051 412107908 /nfs/dbraw/zinc/10/79/08/412107908.db2.gz CWMLBRONZGNAMM-UKRRQHHQSA-N 2 0 248.370 1.851 20 0 BDADRP CC[C@@H](COCC1CC1)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000665236057 412176421 /nfs/dbraw/zinc/17/64/21/412176421.db2.gz GKGRIOWAXINQQC-GWCFXTLKSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1C[C@@H](C)n2ncnc21 ZINC000665236054 412177306 /nfs/dbraw/zinc/17/73/06/412177306.db2.gz GJHFSNQFJQHFGD-MXWKQRLJSA-N 2 0 237.351 1.391 20 0 BDADRP Cc1ccncc1CC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000665238691 412177950 /nfs/dbraw/zinc/17/79/50/412177950.db2.gz ALSLZMABALRQRI-HIFRSBDPSA-N 2 0 247.386 1.910 20 0 BDADRP Cc1ccncc1CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000665238996 412180041 /nfs/dbraw/zinc/18/00/41/412180041.db2.gz JWVOIECIKRKHQL-KGLIPLIRSA-N 2 0 233.359 1.792 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCO[C@@H]1CC1(F)F ZINC000665244106 412186813 /nfs/dbraw/zinc/18/68/13/412186813.db2.gz GHKORFPYRRPIRF-XHNCKOQMSA-N 2 0 222.279 1.126 20 0 BDADRP Cc1cncc(CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000665273918 412215677 /nfs/dbraw/zinc/21/56/77/412215677.db2.gz GRLDHPCZWIJJGD-NEPJUHHUSA-N 2 0 234.347 1.187 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1NCC1([NH3+])CCCC1 ZINC000665246688 412190778 /nfs/dbraw/zinc/19/07/78/412190778.db2.gz LORQHYSPJDATNZ-NEPJUHHUSA-N 2 0 225.380 1.508 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1NCC1([NH3+])CCCC1 ZINC000665246691 412191220 /nfs/dbraw/zinc/19/12/20/412191220.db2.gz LORQHYSPJDATNZ-VXGBXAGGSA-N 2 0 225.380 1.508 20 0 BDADRP CO[C@H](C)C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000665246011 412191280 /nfs/dbraw/zinc/19/12/80/412191280.db2.gz WUDHIAGOWDTOOS-NXEZZACHSA-N 2 0 237.347 1.534 20 0 BDADRP [NH3+]C1(C[NH2+]C2CCC(O)CC2)CCCC1 ZINC000665246929 412191532 /nfs/dbraw/zinc/19/15/32/412191532.db2.gz ROHQSIAUPFEVDK-UHFFFAOYSA-N 2 0 212.337 1.151 20 0 BDADRP [NH3+]C1(CNC2CC[NH+](C3CC3)CC2)CCCC1 ZINC000665246335 412191649 /nfs/dbraw/zinc/19/16/49/412191649.db2.gz BYHHSWNCFBJPEO-UHFFFAOYSA-N 2 0 237.391 1.474 20 0 BDADRP Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000665273291 412215217 /nfs/dbraw/zinc/21/52/17/412215217.db2.gz TYFOESQNPAQCSD-RDBSUJKOSA-N 2 0 231.343 1.726 20 0 BDADRP Cc1cncc(CC[NH2+][C@@H](C)C[C@H](C)[NH3+])n1 ZINC000665273779 412215780 /nfs/dbraw/zinc/21/57/80/412215780.db2.gz DFUSNABRKRTYTE-UWVGGRQHSA-N 2 0 222.336 1.043 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000662552792 412213822 /nfs/dbraw/zinc/21/38/22/412213822.db2.gz FZOCFGOERRTKKB-NEPJUHHUSA-N 2 0 233.315 1.211 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)CC2([NH3+])CC2)cc1 ZINC000662422420 412162377 /nfs/dbraw/zinc/16/23/77/412162377.db2.gz OMQMKCDAKRCEIM-VIFPVBQESA-N 2 0 233.315 1.526 20 0 BDADRP COC1CC(CC[NH2+][C@@H]2CCC[C@H]2[NH3+])C1 ZINC000665229929 412167647 /nfs/dbraw/zinc/16/76/47/412167647.db2.gz GPCSECNEXUXJJN-KIDURHIOSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])c1ccccn1 ZINC000665232951 412172440 /nfs/dbraw/zinc/17/24/40/412172440.db2.gz YHDOLIWAEJBFTI-DYEKYZERSA-N 2 0 233.359 1.902 20 0 BDADRP C[C@H](N[C@H]1CC[N@@H+](C(C)(C)C)C1)[C@H]1CCC[NH2+]1 ZINC000665235866 412174421 /nfs/dbraw/zinc/17/44/21/412174421.db2.gz BHNAJXZDMXYBRG-RWMBFGLXSA-N 2 0 239.407 1.589 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H](CO)C2CCC2)c2ccccc21 ZINC000665234288 412174758 /nfs/dbraw/zinc/17/47/58/412174758.db2.gz AIPCIEXWFRWGPN-ILXRZTDVSA-N 2 0 246.354 1.882 20 0 BDADRP Cc1cncc(CC[NH2+][C@H]2CCCCC[C@H]2[NH3+])n1 ZINC000665274788 412217145 /nfs/dbraw/zinc/21/71/45/412217145.db2.gz YLJHZZWXNSNKNQ-KGLIPLIRSA-N 2 0 248.374 1.577 20 0 BDADRP Cc1cncc(CC[NH2+][C@H]2CCCCC[C@@H]2[NH3+])n1 ZINC000665274787 412217230 /nfs/dbraw/zinc/21/72/30/412217230.db2.gz YLJHZZWXNSNKNQ-KBPBESRZSA-N 2 0 248.374 1.577 20 0 BDADRP COCCC[C@@H](C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665278274 412220574 /nfs/dbraw/zinc/22/05/74/412220574.db2.gz ZZJXCUIXXFDPQT-VOMCLLRMSA-N 2 0 212.337 1.143 20 0 BDADRP C([NH2+][C@@H]1CC[C@H]1C1CCC1)C12CC(C1)C[NH2+]2 ZINC000665279470 412221799 /nfs/dbraw/zinc/22/17/99/412221799.db2.gz CWZWDUSDONIJRP-OSOQGNGPSA-N 2 0 220.360 1.907 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000665281767 412224594 /nfs/dbraw/zinc/22/45/94/412224594.db2.gz KOENTXNFXWZTKR-JHJVBQTASA-N 2 0 227.396 1.338 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000665281164 412226075 /nfs/dbraw/zinc/22/60/75/412226075.db2.gz WJQAOYJUSJIAGU-MBNYWOFBSA-N 2 0 239.407 1.575 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000665281165 412226104 /nfs/dbraw/zinc/22/61/04/412226104.db2.gz WJQAOYJUSJIAGU-OUCADQQQSA-N 2 0 239.407 1.575 20 0 BDADRP CC[C@@H](Cn1cncn1)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000665281698 412226309 /nfs/dbraw/zinc/22/63/09/412226309.db2.gz JLJKXVBCKFUZSL-NWDGAFQWSA-N 2 0 239.367 1.020 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)Cc1cnccn1 ZINC000665281602 412226551 /nfs/dbraw/zinc/22/65/51/412226551.db2.gz HNSBYPMHZCZLQC-DGCLKSJQSA-N 2 0 236.363 1.371 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000665281451 412226632 /nfs/dbraw/zinc/22/66/32/412226632.db2.gz COXMATQAHJLJBG-YNEHKIRRSA-N 2 0 228.380 1.765 20 0 BDADRP COc1cccc(C[NH2+][C@H](C)C2C[NH2+]C2)c1C ZINC000665294108 412239703 /nfs/dbraw/zinc/23/97/03/412239703.db2.gz IIDJWZXCKNQBFX-LLVKDONJSA-N 2 0 234.343 1.701 20 0 BDADRP C[NH2+]C[C@H](C)N[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000665297440 412245395 /nfs/dbraw/zinc/24/53/95/412245395.db2.gz FZVMNMOGKIIYDL-REWJHTLYSA-N 2 0 239.407 1.495 20 0 BDADRP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000665298125 412246279 /nfs/dbraw/zinc/24/62/79/412246279.db2.gz SEXXYDTXBKJJCX-REWJHTLYSA-N 2 0 240.391 1.779 20 0 BDADRP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000665298127 412246803 /nfs/dbraw/zinc/24/68/03/412246803.db2.gz SEXXYDTXBKJJCX-XDQVBPFNSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H]([NH3+])CC(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662890753 412337716 /nfs/dbraw/zinc/33/77/16/412337716.db2.gz PHEGXEGYHRHGOJ-IJLUTSLNSA-N 2 0 241.379 1.090 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000662781589 412299927 /nfs/dbraw/zinc/29/99/27/412299927.db2.gz DYQZWSNRJZZZTI-XYPYZODXSA-N 2 0 233.315 1.082 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)CC2([NH3+])CC2)cc1 ZINC000662784289 412301449 /nfs/dbraw/zinc/30/14/49/412301449.db2.gz VGOIPIXEKBECPS-UHFFFAOYSA-N 2 0 233.315 1.226 20 0 BDADRP CCc1nocc1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339191058 172101245 /nfs/dbraw/zinc/10/12/45/172101245.db2.gz RIINWTKHBKJBMJ-CHWSQXEVSA-N 2 0 249.358 1.953 20 0 BDADRP CCn1ccnc1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000112346165 172224417 /nfs/dbraw/zinc/22/44/17/172224417.db2.gz BYIMWKYQZNUNFG-QWHCGFSZSA-N 2 0 248.374 1.619 20 0 BDADRP CCn1nc(C)c(C[N@@H+]2CC[C@H](C[NH3+])C2)c1C ZINC000307963327 172245716 /nfs/dbraw/zinc/24/57/16/172245716.db2.gz GTXBNPSPAZRBKY-GFCCVEGCSA-N 2 0 236.363 1.300 20 0 BDADRP CN(C(=O)C[C@@H]([NH3+])c1ccccc1)C1CC([NH3+])C1 ZINC000294966067 172312507 /nfs/dbraw/zinc/31/25/07/172312507.db2.gz XAXZWAPDJQQOPU-WXRRBKDZSA-N 2 0 247.342 1.025 20 0 BDADRP C[NH+](C)CCCC[NH2+]Cc1cccc(C(N)=O)c1 ZINC000045698339 172429070 /nfs/dbraw/zinc/42/90/70/172429070.db2.gz SYEXKSIFGZRETB-UHFFFAOYSA-N 2 0 249.358 1.217 20 0 BDADRP C[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC000336547289 173002935 /nfs/dbraw/zinc/00/29/35/173002935.db2.gz TZBYGCGKHYZMBJ-UHFFFAOYSA-N 2 0 208.349 1.957 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@@H](O)C(C)(C)C1 ZINC000335310117 173003874 /nfs/dbraw/zinc/00/38/74/173003874.db2.gz DXRDAUSNKVIDHJ-CHWSQXEVSA-N 2 0 240.391 1.564 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@H](O)C2(CC2)C1 ZINC000335681850 173004945 /nfs/dbraw/zinc/00/49/45/173004945.db2.gz QNYUVEXMGQYKIH-OLZOCXBDSA-N 2 0 238.375 1.318 20 0 BDADRP C[N@@H+]1CCCC[C@H]1CNc1cc[nH+]cc1 ZINC000044563146 173009921 /nfs/dbraw/zinc/00/99/21/173009921.db2.gz VFKLQFAXYQEPCP-LBPRGKRZSA-N 2 0 205.305 1.978 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@H]1CO ZINC000336698533 173026920 /nfs/dbraw/zinc/02/69/20/173026920.db2.gz JIMIIOMNKFYVJP-OLZOCXBDSA-N 2 0 226.364 1.318 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@H](CO)C1 ZINC000372880295 173028971 /nfs/dbraw/zinc/02/89/71/173028971.db2.gz KUYRQVZDYORSQP-UONOGXRCSA-N 2 0 240.391 1.565 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccc(O)cc2)CC1 ZINC000076681106 173046074 /nfs/dbraw/zinc/04/60/74/173046074.db2.gz IGBKOGRCHLVLBU-ZDUSSCGKSA-N 2 0 234.343 1.966 20 0 BDADRP C[N@@H+]1CCN(CC[NH2+]C2CCCC2)CC1(C)C ZINC000110757864 173081441 /nfs/dbraw/zinc/08/14/41/173081441.db2.gz AGQLCCLLTKEWEF-UHFFFAOYSA-N 2 0 239.407 1.545 20 0 BDADRP C[N@@H+]1CC[C@@H](CNC(N)=[NH2+])[C@H]1c1cccs1 ZINC000361940766 173113287 /nfs/dbraw/zinc/11/32/87/173113287.db2.gz CFRBOCYRDOHLNZ-WPRPVWTQSA-N 2 0 238.360 1.224 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCOC(C)(C)C)C2)C1 ZINC000368313662 173137783 /nfs/dbraw/zinc/13/77/83/173137783.db2.gz DHNYEHHRTJHENZ-CQSZACIVSA-N 2 0 240.391 1.829 20 0 BDADRP Cn1cccc1C[NH2+][C@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000368606790 173152093 /nfs/dbraw/zinc/15/20/93/173152093.db2.gz FVVPJHFFGTVOPR-SOUVJXGZSA-N 2 0 247.386 1.988 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CC2CC2)[C@H]2CCC[C@@H]21 ZINC000367639968 173153534 /nfs/dbraw/zinc/15/35/34/173153534.db2.gz YFPQLUIAEHNQTI-AGIUHOORSA-N 2 0 208.349 1.859 20 0 BDADRP Cn1cncc1C[NH2+][C@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000377796822 173154617 /nfs/dbraw/zinc/15/46/17/173154617.db2.gz VHXVJUVSOPUCBN-HZSPNIEDSA-N 2 0 248.374 1.383 20 0 BDADRP CN1CC[C@H]([NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000042545856 173155424 /nfs/dbraw/zinc/15/54/24/173155424.db2.gz OWUYMFAGIHEGIG-CABCVRRESA-N 2 0 230.355 1.838 20 0 BDADRP C[N@H+]1C[C@@H]2C[NH+](C[C@H]3Cc4ccccc43)C[C@@H]2C1 ZINC000376503380 173196684 /nfs/dbraw/zinc/19/66/84/173196684.db2.gz AFBOTHSWZGJCCO-KFWWJZLASA-N 2 0 242.366 1.820 20 0 BDADRP C[N@H+]1C[C@@H]2C[NH+](C[C@@H]3CCSC3)C[C@@H]2C1 ZINC000365941500 173197310 /nfs/dbraw/zinc/19/73/10/173197310.db2.gz OQGNWDKDBAZZLC-SDDRHHMPSA-N 2 0 226.389 1.233 20 0 BDADRP CNC(=O)C(C)(C)C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000331978385 173219368 /nfs/dbraw/zinc/21/93/68/173219368.db2.gz MDSYIZVRTQUHON-QWRGUYRKSA-N 2 0 241.379 1.008 20 0 BDADRP C[NH2+]CC1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000051756213 173338858 /nfs/dbraw/zinc/33/88/58/173338858.db2.gz AODWUDYGANEJQZ-ZDUSSCGKSA-N 2 0 226.364 1.487 20 0 BDADRP C[NH2+]CCC1CC[NH+](CCn2cccn2)CC1 ZINC000070189647 173342936 /nfs/dbraw/zinc/34/29/36/173342936.db2.gz DFUQCOHNURHVJE-UHFFFAOYSA-N 2 0 236.363 1.205 20 0 BDADRP C[NH2+]C[C@@H]1CCCN1c1cc[nH+]c(C)c1 ZINC000229577217 173369976 /nfs/dbraw/zinc/36/99/76/173369976.db2.gz VWFDIRVOHISSSW-LBPRGKRZSA-N 2 0 205.305 1.578 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+]Cc1sc(C)nc1C ZINC000336677022 173375493 /nfs/dbraw/zinc/37/54/93/173375493.db2.gz ASEGCMRMWHBGBR-QMMMGPOBSA-N 2 0 227.377 1.705 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@H+](CCOCCC(C)C)C1 ZINC000049267792 173378507 /nfs/dbraw/zinc/37/85/07/173378507.db2.gz XBFLOZVLQXUWIZ-CQSZACIVSA-N 2 0 242.407 1.981 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)CC[C@@H](C)[NH3+])cc1 ZINC000295224179 173388557 /nfs/dbraw/zinc/38/85/57/173388557.db2.gz NBVBAMSPDDYTTJ-SNVBAGLBSA-N 2 0 235.331 1.472 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)[C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000295207356 173389094 /nfs/dbraw/zinc/38/90/94/173389094.db2.gz LCIWLLONEYKFSS-VHSXEESVSA-N 2 0 235.331 1.328 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000237227554 173389447 /nfs/dbraw/zinc/38/94/47/173389447.db2.gz BKWFGDTVWZDENC-NEPJUHHUSA-N 2 0 247.342 1.472 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)c1 ZINC000237227520 173389642 /nfs/dbraw/zinc/38/96/42/173389642.db2.gz BKWFGDTVWZDENC-VXGBXAGGSA-N 2 0 247.342 1.472 20 0 BDADRP COC(C)(C)[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000301038612 173953089 /nfs/dbraw/zinc/95/30/89/173953089.db2.gz YEGXGZGZQUSRSN-NSHDSACASA-N 2 0 228.380 1.731 20 0 BDADRP COC1(C[NH2+]CCC[NH+](C)C)CCCC1 ZINC000336749379 174000885 /nfs/dbraw/zinc/00/08/85/174000885.db2.gz DHMSORONNQDPIA-UHFFFAOYSA-N 2 0 214.353 1.487 20 0 BDADRP COC1(C[NH2+]C[C@@H](C)C[NH+](C)C)CCCC1 ZINC000336763197 174002687 /nfs/dbraw/zinc/00/26/87/174002687.db2.gz MBYXCAZAOQIMLB-GFCCVEGCSA-N 2 0 228.380 1.733 20 0 BDADRP COC1(C[C@H](C)[NH2+][C@H](C)CN(C)C)CCC1 ZINC000336765489 174009232 /nfs/dbraw/zinc/00/92/32/174009232.db2.gz OAPYDTYBJSZHDV-NWDGAFQWSA-N 2 0 228.380 1.874 20 0 BDADRP COCC(C)(C)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352541120 174069114 /nfs/dbraw/zinc/06/91/14/174069114.db2.gz UGVMOQMAEICCIK-AWEZNQCLSA-N 2 0 240.391 1.735 20 0 BDADRP COCC(C)(C)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000310258619 174076658 /nfs/dbraw/zinc/07/66/58/174076658.db2.gz HFJXDEHSPMXQGB-QWHCGFSZSA-N 2 0 240.391 1.875 20 0 BDADRP COCC1CC[NH+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000234584777 174119890 /nfs/dbraw/zinc/11/98/90/174119890.db2.gz ALKBVOAXVMKQIM-GXTWGEPZSA-N 2 0 240.391 1.733 20 0 BDADRP COCCCC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357084934 174190800 /nfs/dbraw/zinc/19/08/00/174190800.db2.gz KHJZGWUVKUWJSW-CQSZACIVSA-N 2 0 240.391 1.735 20 0 BDADRP COCCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746915 174216548 /nfs/dbraw/zinc/21/65/48/174216548.db2.gz BTQJTSVAXUMTIR-FOSCPWQOSA-N 2 0 212.337 1.238 20 0 BDADRP COCCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000309635784 174250585 /nfs/dbraw/zinc/25/05/85/174250585.db2.gz JKVPXHUFCBPUPH-UPJWGTAASA-N 2 0 226.364 1.485 20 0 BDADRP COCC[N@H+](C)CCC[NH2+]C[C@@H]1CCSC1 ZINC000336775873 174275212 /nfs/dbraw/zinc/27/52/12/174275212.db2.gz CXTOWLPUDGRXJK-LBPRGKRZSA-N 2 0 246.420 1.297 20 0 BDADRP COCC[N@H+](CC(C)C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000234628586 174287103 /nfs/dbraw/zinc/28/71/03/174287103.db2.gz SUTCLAISVNXZNU-KBPBESRZSA-N 2 0 242.407 1.979 20 0 BDADRP COCC[C@@H](C)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000297379706 174384189 /nfs/dbraw/zinc/38/41/89/174384189.db2.gz AIIXOUHGUAQVFX-LLVKDONJSA-N 2 0 233.315 1.849 20 0 BDADRP COC[C@H](C)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000069625325 174538893 /nfs/dbraw/zinc/53/88/93/174538893.db2.gz XDOZWAILWWGCNJ-UWVGGRQHSA-N 2 0 200.326 1.081 20 0 BDADRP CO[C@H](C[NH2+][C@H](C)CCCC[NH3+])C1CC1 ZINC000356363902 174869474 /nfs/dbraw/zinc/86/94/74/174869474.db2.gz ZWEPAWNMVRIBTB-ZYHUDNBSSA-N 2 0 214.353 1.519 20 0 BDADRP COc1ccc(CC[C@H](C)[NH2+]CCC[NH3+])cc1 ZINC000037713692 175093404 /nfs/dbraw/zinc/09/34/04/175093404.db2.gz OZLXKRDWZCJWSG-LBPRGKRZSA-N 2 0 236.359 1.955 20 0 BDADRP COc1cccc(C[N@H+](C)CCOCC[NH3+])c1 ZINC000093232458 175255767 /nfs/dbraw/zinc/25/57/67/175255767.db2.gz TWRRVGFTHCJKMD-UHFFFAOYSA-N 2 0 238.331 1.102 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H](O)CC(C)(C)C ZINC000308973056 175666137 /nfs/dbraw/zinc/66/61/37/175666137.db2.gz AZUMODOTZWGJNT-WDEREUQCSA-N 2 0 216.369 1.501 20 0 BDADRP C[C@@H]1CCCC[C@@H]1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000309460970 176076982 /nfs/dbraw/zinc/07/69/82/176076982.db2.gz OWMHBMYXQLSWLO-AAVRWANBSA-N 2 0 222.376 1.964 20 0 BDADRP C[C@@H]1CC[C@@H](C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)O1 ZINC000370722864 176203529 /nfs/dbraw/zinc/20/35/29/176203529.db2.gz UNWDUZXSTGOVJL-RDBSUJKOSA-N 2 0 240.391 1.970 20 0 BDADRP C[C@@H]1CC[C@H](N2CCC(C[NH+](C)C)CC2)C[NH2+]1 ZINC000062948854 176228848 /nfs/dbraw/zinc/22/88/48/176228848.db2.gz NBSXSYRRANOGET-OCCSQVGLSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCC(C)(C)CO ZINC000305173919 176271280 /nfs/dbraw/zinc/27/12/80/176271280.db2.gz UUSNHWVYFAGYAB-CHWSQXEVSA-N 2 0 242.407 1.715 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCCO1 ZINC000036907947 176278478 /nfs/dbraw/zinc/27/84/78/176278478.db2.gz DMPKCBRDQSIQEM-NDBYEHHHSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](CO)C1CC1 ZINC000353484278 176278549 /nfs/dbraw/zinc/27/85/49/176278549.db2.gz JGKVKPHUXWZPFG-MHDGFBEUSA-N 2 0 240.391 1.323 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC1CC[NH+](C)CC1 ZINC000036908599 176278860 /nfs/dbraw/zinc/27/88/60/176278860.db2.gz OYZLVNPZPCHLKQ-YRGRVCCFSA-N 2 0 239.407 1.399 20 0 BDADRP C[C@@H]1CN(CC[C@H]2CCC[N@@H+]2C)C[C@@H](C)[NH+]1C ZINC000336895413 176294318 /nfs/dbraw/zinc/29/43/18/176294318.db2.gz YTMXSEOBRQHTEK-MGPQQGTHSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cccs2)CC[C@@H]1[NH3+] ZINC000049712679 176308001 /nfs/dbraw/zinc/30/80/01/176308001.db2.gz KKIYSSXHIBHNQU-KOLCDFICSA-N 2 0 210.346 1.917 20 0 BDADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC[C@@H]1CC[NH2+]C1 ZINC000251543401 176322857 /nfs/dbraw/zinc/32/28/57/176322857.db2.gz AWCQOOOYMZRYMO-RDBSUJKOSA-N 2 0 237.391 1.155 20 0 BDADRP C[C@H](Cn1ccnc1)[NH2+][C@@H]1CCOC[C@H]1C ZINC000280151505 176345272 /nfs/dbraw/zinc/34/52/72/176345272.db2.gz QFNRMDNNJUVYKF-IJLUTSLNSA-N 2 0 223.320 1.286 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1C[C@@H]1CCCOC1 ZINC000126722298 176367680 /nfs/dbraw/zinc/36/76/80/176367680.db2.gz JCVXEOKSMWMAOC-WOPDTQHZSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccs1 ZINC000126712131 176367995 /nfs/dbraw/zinc/36/79/95/176367995.db2.gz NDKVMJFEXHNQOS-ZJUUUORDSA-N 2 0 210.346 1.917 20 0 BDADRP C[C@@H]1C[C@@H]([N@H+](C)CC2CC[NH2+]CC2)CCN1C ZINC000132992787 176371585 /nfs/dbraw/zinc/37/15/85/176371585.db2.gz NKXJFJKKLJMUBG-OCCSQVGLSA-N 3 0 239.407 1.401 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCC2CCOCC2)CC[N@@H+]1C ZINC000310332225 176375773 /nfs/dbraw/zinc/37/57/73/176375773.db2.gz ZAFYAAJESYRAEK-OCCSQVGLSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCCn1cccn1 ZINC000309438203 176618245 /nfs/dbraw/zinc/61/82/45/176618245.db2.gz YVCBLHPGFHGJON-GFCCVEGCSA-N 2 0 224.352 1.380 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCc1ccccn1 ZINC000309326539 176618363 /nfs/dbraw/zinc/61/83/63/176618363.db2.gz IBJCHJLRLVMCPA-GFCCVEGCSA-N 2 0 221.348 1.731 20 0 BDADRP C[C@H](C[NH2+][C@H](C)[C@H]1CCCOC1)C[NH+](C)C ZINC000336738550 176684043 /nfs/dbraw/zinc/68/40/43/176684043.db2.gz KIMDIDOQWFFEDB-UPJWGTAASA-N 2 0 228.380 1.589 20 0 BDADRP C[C@H](CN[C@@H]1C[C@H]([NH3+])c2ccccc21)[NH+](C)C ZINC000132032742 176684258 /nfs/dbraw/zinc/68/42/58/176684258.db2.gz MSRNGOLBJHWBGG-DDTOSNHZSA-N 2 0 233.359 1.671 20 0 BDADRP C[C@H](CO)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000678043254 487635880 /nfs/dbraw/zinc/63/58/80/487635880.db2.gz ACBLEKYSOAQDEA-KBPBESRZSA-N 2 0 240.391 1.423 20 0 BDADRP C[C@H](c1ccccc1)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313383731 177038419 /nfs/dbraw/zinc/03/84/19/177038419.db2.gz JKRVEHOBUXUYHI-TZMCWYRMSA-N 2 0 234.343 1.797 20 0 BDADRP C[C@H](c1ccccn1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000100256845 177043570 /nfs/dbraw/zinc/04/35/70/177043570.db2.gz VBWYLAFWDFPCCZ-NEPJUHHUSA-N 2 0 219.332 1.813 20 0 BDADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)CCC[NH3+] ZINC000019424911 177074650 /nfs/dbraw/zinc/07/46/50/177074650.db2.gz LEZWHKPLPSRKCY-LBPRGKRZSA-N 2 0 241.379 1.106 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1NCC1([NH3+])CCCCC1 ZINC000333297637 177174575 /nfs/dbraw/zinc/17/45/75/177174575.db2.gz PNQDDLFENNXBFD-QWHCGFSZSA-N 2 0 239.407 1.626 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C1CCSCC1 ZINC000335160049 177174775 /nfs/dbraw/zinc/17/47/75/177174775.db2.gz ZFHFNWOBLVXPBY-CMPLNLGQSA-N 2 0 228.405 1.860 20 0 BDADRP C[C@H]1CC[C@@H](C[NH2+]C2CCC([NH3+])CC2)O1 ZINC000148676232 177190122 /nfs/dbraw/zinc/19/01/22/177190122.db2.gz STTZQZWGJFOWOJ-XKGSQUFQSA-N 2 0 212.337 1.413 20 0 BDADRP C[C@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCCO1 ZINC000061918622 177253738 /nfs/dbraw/zinc/25/37/38/177253738.db2.gz OYGYTWWCMINTHW-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCCO[C@@H](C)C2)CC[NH2+]1 ZINC000235381156 177258762 /nfs/dbraw/zinc/25/87/62/177258762.db2.gz SDLUWYFBUCDSIH-AGIUHOORSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H]1CSC[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000336687405 177305671 /nfs/dbraw/zinc/30/56/71/177305671.db2.gz MTOHBQZGKCIVLV-QWRGUYRKSA-N 2 0 216.394 1.669 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCc2cccnc2)CC[N@@H+]1C ZINC000130003725 177331733 /nfs/dbraw/zinc/33/17/33/177331733.db2.gz WYNUODVGAAGAPC-JSGCOSHPSA-N 2 0 233.359 1.696 20 0 BDADRP C[C@H](CCO)[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000121344387 177334040 /nfs/dbraw/zinc/33/40/40/177334040.db2.gz NZUMGIFRDMEFRV-WISYIIOYSA-N 2 0 214.353 1.076 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCCn2ccnc2)CCO1 ZINC000069860245 177368762 /nfs/dbraw/zinc/36/87/62/177368762.db2.gz KFQIMMKROAMGBZ-NWDGAFQWSA-N 2 0 223.320 1.430 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1=CCCOC1 ZINC000348222939 177368986 /nfs/dbraw/zinc/36/89/86/177368986.db2.gz WSLQDOZHSFCYCA-DYEKYZERSA-N 2 0 238.375 1.651 20 0 BDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000495056733 226275228 /nfs/dbraw/zinc/27/52/28/226275228.db2.gz DJXJUMSJVPVNII-REWJHTLYSA-N 2 0 239.407 1.256 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCCOC1)[C@H]1CCC[NH2+]1 ZINC000400500452 226344909 /nfs/dbraw/zinc/34/49/09/226344909.db2.gz FTCKCYZVRBQGLB-QJPTWQEYSA-N 2 0 212.337 1.143 20 0 BDADRP CO[C@@H]1CC[C@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000400498024 226344913 /nfs/dbraw/zinc/34/49/13/226344913.db2.gz HUFIMZOVQFYRRT-YFKTTZPYSA-N 2 0 212.337 1.284 20 0 BDADRP Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])nc1 ZINC000400881669 226352237 /nfs/dbraw/zinc/35/22/37/226352237.db2.gz YLBKXFNOCYBESO-JSGCOSHPSA-N 2 0 233.359 1.997 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCCO1 ZINC000400978675 226352444 /nfs/dbraw/zinc/35/24/44/226352444.db2.gz SVZWTRXKAFCHAI-MRTXSQPYSA-N 2 0 238.375 1.532 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401005581 226352664 /nfs/dbraw/zinc/35/26/64/226352664.db2.gz DFXRUEDIUMDRAI-YIYPIFLZSA-N 2 0 248.374 1.249 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCC[C@@H]1CCOC1 ZINC000401949922 226363729 /nfs/dbraw/zinc/36/37/29/226363729.db2.gz YWAVXOOYEDKBQV-RDBSUJKOSA-N 2 0 240.391 1.910 20 0 BDADRP [NH3+]CCCCC(=O)NCCC[NH+]1CCCCC1 ZINC000070201656 487662669 /nfs/dbraw/zinc/66/26/69/487662669.db2.gz LWLXCHQDTMZOMU-UHFFFAOYSA-N 2 0 241.379 1.108 20 0 BDADRP COC[C@H]([NH2+]CCC[NH2+]C1CC1)C1CC1 ZINC000397389253 262745247 /nfs/dbraw/zinc/74/52/47/262745247.db2.gz XDEVYMZWOMMCQQ-LBPRGKRZSA-N 2 0 212.337 1.143 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000397646348 262813960 /nfs/dbraw/zinc/81/39/60/262813960.db2.gz UUGKCVLZUSHPLP-WRWGMCAJSA-N 2 0 212.337 1.128 20 0 BDADRP COC[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)C1CC1 ZINC000398026583 262942000 /nfs/dbraw/zinc/94/20/00/262942000.db2.gz JXRWJUQDGMDCGW-ZYHUDNBSSA-N 2 0 212.337 1.001 20 0 BDADRP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H](C)[NH+](C)C ZINC000088277597 487716235 /nfs/dbraw/zinc/71/62/35/487716235.db2.gz IWRLDQYBDWGJJQ-RYUDHWBXSA-N 2 0 243.395 1.064 20 0 BDADRP CCO[C@@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000250531318 487734172 /nfs/dbraw/zinc/73/41/72/487734172.db2.gz RWQOCXZRDPEDMP-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H](CO)C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000672554913 487756126 /nfs/dbraw/zinc/75/61/26/487756126.db2.gz ABXGQNWNHGRPPL-DGCLKSJQSA-N 2 0 236.315 1.163 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)C1CC[NH+](C)CC1 ZINC000251501846 487761283 /nfs/dbraw/zinc/76/12/83/487761283.db2.gz HRSLRAQLRIRHCI-FPMFFAJLSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@@H](C(=O)Nc1ccc(C[NH+](C)C)cc1)[NH+](C)C ZINC000674285597 487772022 /nfs/dbraw/zinc/77/20/22/487772022.db2.gz MBYJLGXBRRENKN-NSHDSACASA-N 2 0 249.358 1.637 20 0 BDADRP C[NH2+]C1CC[NH+](C[C@@H]2CCO[C@@H]2C)CC1 ZINC000234346082 487803594 /nfs/dbraw/zinc/80/35/94/487803594.db2.gz AEKWCKDOMFMDRR-MNOVXSKESA-N 2 0 212.337 1.095 20 0 BDADRP CC[C@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000309242872 487805936 /nfs/dbraw/zinc/80/59/36/487805936.db2.gz LDYHAHBALMJDTE-STQMWFEESA-N 2 0 228.380 1.419 20 0 BDADRP [NH3+]C1(C[NH2+]CCOCc2ccccc2)CCC1 ZINC000307521917 487814376 /nfs/dbraw/zinc/81/43/76/487814376.db2.gz ZWYCYVLXXSIORT-UHFFFAOYSA-N 2 0 234.343 1.674 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@@H](C)C1CCOCC1 ZINC000235486543 487815962 /nfs/dbraw/zinc/81/59/62/487815962.db2.gz HLAMFEXWTGGDFS-MBNYWOFBSA-N 2 0 240.391 1.922 20 0 BDADRP C[N@H+](CCC[NH3+])CCc1ccccc1O ZINC000414719218 487818578 /nfs/dbraw/zinc/81/85/78/487818578.db2.gz XTPMHYRNULMZCM-UHFFFAOYSA-N 2 0 208.305 1.215 20 0 BDADRP CC1([NH2+]CCC[NH3+])Cc2ccccc2C1 ZINC000414708186 487819363 /nfs/dbraw/zinc/81/93/63/487819363.db2.gz NGKARZLQXUUYRM-UHFFFAOYSA-N 2 0 204.317 1.482 20 0 BDADRP CC(C)(C)[C@H]1CC[N@H+](CCC[NH3+])C[C@H]1O ZINC000414755684 487821370 /nfs/dbraw/zinc/82/13/70/487821370.db2.gz ICYJUMAPIBTHMK-WDEREUQCSA-N 2 0 214.353 1.064 20 0 BDADRP CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000414924718 487829293 /nfs/dbraw/zinc/82/92/93/487829293.db2.gz KIHBWJRALOPHRD-VXGBXAGGSA-N 2 0 249.358 1.840 20 0 BDADRP CC1(C)C[C@H]([NH2+]CCC[NH3+])c2cc(N)ccc2O1 ZINC000415038536 487834435 /nfs/dbraw/zinc/83/44/35/487834435.db2.gz POSBBYQHJAJLIE-LBPRGKRZSA-N 2 0 249.358 1.809 20 0 BDADRP [NH3+]CCC[NH2+]C[C@@H]1CCc2ccccc21 ZINC000415080133 487836241 /nfs/dbraw/zinc/83/62/41/487836241.db2.gz LBZKKWHEFLMBFR-LBPRGKRZSA-N 2 0 204.317 1.655 20 0 BDADRP CC[C@@H]1C[N@H+](CCCCOC)CC[C@H]1[NH3+] ZINC000252874086 487837088 /nfs/dbraw/zinc/83/70/88/487837088.db2.gz VWBGBWSKSPZLEW-VXGBXAGGSA-N 2 0 214.353 1.472 20 0 BDADRP CC(C)(CO)[C@@H]([NH2+]CCC[NH3+])c1ccccc1 ZINC000415094189 487837433 /nfs/dbraw/zinc/83/74/33/487837433.db2.gz DGWQAWYCQBIEEX-ZDUSSCGKSA-N 2 0 236.359 1.685 20 0 BDADRP C([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H]1CCCO1 ZINC000153068307 487839595 /nfs/dbraw/zinc/83/95/95/487839595.db2.gz VVWNMYOKRIPXLJ-AWEZNQCLSA-N 2 0 238.375 1.629 20 0 BDADRP CS[C@H]1C[C@H]([NH2+][C@@H]2CN(C)C[C@H]2C)C1 ZINC000865734318 589458977 /nfs/dbraw/zinc/45/89/77/589458977.db2.gz SJNAGUQVRJGVHA-GWOFURMSSA-N 2 0 214.378 1.420 20 0 BDADRP C[N@H+](CCCF)CC[C@H]1CCC[NH+]1C ZINC000887141340 592456759 /nfs/dbraw/zinc/45/67/59/592456759.db2.gz OZPNHCIBJPAVMV-LLVKDONJSA-N 2 0 202.317 1.762 20 0 BDADRP c1nc2ccccn2c1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000666787283 487859488 /nfs/dbraw/zinc/85/94/88/487859488.db2.gz BAXFGNSKYOCMIK-GFCCVEGCSA-N 2 0 244.342 1.424 20 0 BDADRP CO[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000666699878 487862947 /nfs/dbraw/zinc/86/29/47/487862947.db2.gz BWEBPEGPQDSMNZ-BFHYXJOUSA-N 2 0 240.391 1.875 20 0 BDADRP [NH3+][C@H](C[NH2+]C[C@H]1CCOc2ccccc21)C1CC1 ZINC000666834212 487870711 /nfs/dbraw/zinc/87/07/11/487870711.db2.gz CBKJBQOCVAKMFF-TZMCWYRMSA-N 2 0 246.354 1.880 20 0 BDADRP C(CN1C[C@H]2C[NH2+]C[C@@H]2C1)C[NH+]1CCCCC1 ZINC000682027637 487882813 /nfs/dbraw/zinc/88/28/13/487882813.db2.gz DKNWEODJWVYFQI-ZIAGYGMSSA-N 2 0 237.391 1.014 20 0 BDADRP Cc1ncccc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666855163 487890250 /nfs/dbraw/zinc/89/02/50/487890250.db2.gz BLKHQXWVSBDZKH-ZDUSSCGKSA-N 2 0 219.332 1.622 20 0 BDADRP COC[C@H](CC(C)C)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666954084 487891528 /nfs/dbraw/zinc/89/15/28/487891528.db2.gz PJMGXIIITCOPQG-QWHCGFSZSA-N 2 0 240.391 1.779 20 0 BDADRP CC[C@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)[C@H](C)O ZINC000386771030 487894121 /nfs/dbraw/zinc/89/41/21/487894121.db2.gz KJMPQZXULMVDHG-MDZLAQPJSA-N 2 0 228.380 1.466 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)[C@@H](C)C1 ZINC000248002936 487894229 /nfs/dbraw/zinc/89/42/29/487894229.db2.gz KNJSFKDHHQYPPF-VJTDZRGJSA-N 2 0 238.375 1.626 20 0 BDADRP COC[C@@H](C)C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000666904088 487900119 /nfs/dbraw/zinc/90/01/19/487900119.db2.gz OQUBNSRCIYUKRE-NWDGAFQWSA-N 2 0 214.353 1.391 20 0 BDADRP CC[C@H]([NH3+])C[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000666910457 487901602 /nfs/dbraw/zinc/90/16/02/487901602.db2.gz PBWLQCZWHXQESP-RYUDHWBXSA-N 2 0 234.343 1.880 20 0 BDADRP Cc1ncccc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666952228 487914374 /nfs/dbraw/zinc/91/43/74/487914374.db2.gz LLJURSYUTMONDI-CYBMUJFWSA-N 2 0 231.343 1.622 20 0 BDADRP C[C@@H](CC1CC1)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666953778 487916181 /nfs/dbraw/zinc/91/61/81/487916181.db2.gz HVOIEFCVJYTMST-CMPLNLGQSA-N 2 0 208.349 1.907 20 0 BDADRP C[C@@H]1CCC[N@H+](CC[C@@H]2CCOC2)[C@@H]1CC[NH3+] ZINC000404296087 487916914 /nfs/dbraw/zinc/91/69/14/487916914.db2.gz DAKVIQLEJWDDIF-MGPQQGTHSA-N 2 0 240.391 1.862 20 0 BDADRP COC[C@H](C)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000666968918 487920886 /nfs/dbraw/zinc/92/08/86/487920886.db2.gz IUKNPEGKHGIPIR-HZSPNIEDSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995021 487924748 /nfs/dbraw/zinc/92/47/48/487924748.db2.gz AJPUQLYFYVDWIY-CHWSQXEVSA-N 2 0 248.374 1.536 20 0 BDADRP CC(C)O[C@H]1CCCN(CC(C)(C)[NH3+])C1 ZINC000404774295 487933336 /nfs/dbraw/zinc/93/33/36/487933336.db2.gz NUXZXEXLFMNZQF-NSHDSACASA-N 2 0 214.353 1.613 20 0 BDADRP C[NH2+]CCCNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000121327380 322993564 /nfs/dbraw/zinc/99/35/64/322993564.db2.gz HRIRHKUDUGVRSG-VXGBXAGGSA-N 2 0 241.379 1.010 20 0 BDADRP CC[C@H](C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000155052111 323000651 /nfs/dbraw/zinc/00/06/51/323000651.db2.gz GARWQYZCTBVJCK-NWDGAFQWSA-N 2 0 213.369 1.010 20 0 BDADRP CC[NH2+]CCC[NH2+][C@H](COC)C1CCOCC1 ZINC000567638837 323034237 /nfs/dbraw/zinc/03/42/37/323034237.db2.gz KSSYCJSOEVERCC-CYBMUJFWSA-N 2 0 244.379 1.017 20 0 BDADRP C[C@@H]1C[C@@H](C)[N@H+](CCn2cccn2)C[C@@H]1C[NH3+] ZINC000397352825 323034619 /nfs/dbraw/zinc/03/46/19/323034619.db2.gz DCRHRIXNHKQUBQ-UPJWGTAASA-N 2 0 236.363 1.188 20 0 BDADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000570079750 323049255 /nfs/dbraw/zinc/04/92/55/323049255.db2.gz TYGUZXXEYJVJFN-AXFHLTTASA-N 2 0 249.358 1.306 20 0 BDADRP C(SCC1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC000570329403 323056448 /nfs/dbraw/zinc/05/64/48/323056448.db2.gz ONEUQVKQRHQDQU-UHFFFAOYSA-N 2 0 228.405 1.719 20 0 BDADRP c1[nH]nc2cc(C[NH2+]CC[C@H]3CCC[NH2+]3)ccc12 ZINC000570782587 323070010 /nfs/dbraw/zinc/07/00/10/323070010.db2.gz KBJDIQBZYALDTM-CYBMUJFWSA-N 2 0 244.342 1.795 20 0 BDADRP Cc1noc(C)c1CN1CC2CCC1(C[NH3+])CC2 ZINC000570816779 323071659 /nfs/dbraw/zinc/07/16/59/323071659.db2.gz VOXXJSINNUUBBX-UHFFFAOYSA-N 2 0 249.358 1.995 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000516651730 323081325 /nfs/dbraw/zinc/08/13/25/323081325.db2.gz KIEHOFRYIRPGNF-ZDUSSCGKSA-N 3 0 225.380 1.047 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000563069015 323084458 /nfs/dbraw/zinc/08/44/58/323084458.db2.gz BVPULASDQNMABF-RDBSUJKOSA-N 2 0 238.375 1.582 20 0 BDADRP CCCn1cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cn1 ZINC000563135565 323094552 /nfs/dbraw/zinc/09/45/52/323094552.db2.gz QLBDIFUJBNOYDF-QWRGUYRKSA-N 2 0 224.352 1.509 20 0 BDADRP CCCn1cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cn1 ZINC000563135563 323094635 /nfs/dbraw/zinc/09/46/35/323094635.db2.gz QLBDIFUJBNOYDF-MNOVXSKESA-N 2 0 224.352 1.509 20 0 BDADRP Cc1cc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])ccn1 ZINC000391165263 323099434 /nfs/dbraw/zinc/09/94/34/323099434.db2.gz OTNLDHNSMAMALE-KBPBESRZSA-N 2 0 233.359 1.997 20 0 BDADRP C[C@H]([NH3+])c1ccc(CNC(=O)C(C)(C)[NH3+])cc1 ZINC000570962324 323101699 /nfs/dbraw/zinc/10/16/99/323101699.db2.gz WBRDUZLKUNWYTA-VIFPVBQESA-N 2 0 235.331 1.060 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CC1(C2CC2)CCC1 ZINC000391485687 323107358 /nfs/dbraw/zinc/10/73/58/323107358.db2.gz GTDFTAYSSSIHEF-CYBMUJFWSA-N 2 0 240.391 1.910 20 0 BDADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)C1CC1 ZINC000531685957 323111087 /nfs/dbraw/zinc/11/10/87/323111087.db2.gz ZFQJWMLSFYWUCI-CYBMUJFWSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@@H]1CC[N@H+](CCN[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000531727699 323111550 /nfs/dbraw/zinc/11/15/50/323111550.db2.gz GQAISRONKMGPFK-MCIONIFRSA-N 2 0 239.407 1.401 20 0 BDADRP Cc1ccc(CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000563427345 323126236 /nfs/dbraw/zinc/12/62/36/323126236.db2.gz YZGBQJOUZSUZGR-UONOGXRCSA-N 2 0 233.359 1.792 20 0 BDADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H](C)O)C1 ZINC000563528762 323129219 /nfs/dbraw/zinc/12/92/19/323129219.db2.gz FAAJUUOQQIWFKI-RWMBFGLXSA-N 2 0 228.380 1.323 20 0 BDADRP CCC[C@H]1CCCC[N@@H+]1C[C@H](O)CN(C)CC ZINC000310391819 323130955 /nfs/dbraw/zinc/13/09/55/323130955.db2.gz LDBXPCXUBMPYDC-UONOGXRCSA-N 2 0 242.407 1.954 20 0 BDADRP O[C@@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)C[NH+]1CCCC1 ZINC000571346392 323142237 /nfs/dbraw/zinc/14/22/37/323142237.db2.gz JKYXLPVKSKUELS-IGQOVBAYSA-N 2 0 238.375 1.221 20 0 BDADRP C[C@H](O)C[NH2+]Cc1ccc(C[NH+](C)C)c(F)c1 ZINC000571396445 323143427 /nfs/dbraw/zinc/14/34/27/323143427.db2.gz DFZMXVYWHSKGCY-JTQLQIEISA-N 2 0 240.322 1.358 20 0 BDADRP CC(C)[NH2+]CCC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000571560624 323147968 /nfs/dbraw/zinc/14/79/68/323147968.db2.gz NPIHLWWMSBSUPD-NEPJUHHUSA-N 2 0 241.379 1.008 20 0 BDADRP CC[C@@H](O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000304331519 323164046 /nfs/dbraw/zinc/16/40/46/323164046.db2.gz VGESERPXXUIVPQ-NWDGAFQWSA-N 2 0 214.353 1.031 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCC(C)(C)CO ZINC000395120052 323187789 /nfs/dbraw/zinc/18/77/89/323187789.db2.gz GHAXBXIBFPAYCJ-FRRDWIJNSA-N 2 0 242.407 1.713 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000395140090 323188681 /nfs/dbraw/zinc/18/86/81/323188681.db2.gz GSXBLUAZKJHEMO-JHJVBQTASA-N 2 0 228.380 1.515 20 0 BDADRP C[C@@H]1COCCN(CC[NH2+]C(C)(C)C)C1 ZINC000399110422 323196911 /nfs/dbraw/zinc/19/69/11/323196911.db2.gz AGYDKVLOLINMAH-NSHDSACASA-N 2 0 214.353 1.343 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000530215246 323216888 /nfs/dbraw/zinc/21/68/88/323216888.db2.gz FTHOHYSTPQSLNT-UPJWGTAASA-N 2 0 237.391 1.249 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000530217273 323217192 /nfs/dbraw/zinc/21/71/92/323217192.db2.gz SKNQDARMDPSFMA-YNEHKIRRSA-N 2 0 237.391 1.378 20 0 BDADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1cn[nH]c1 ZINC000572001342 323521022 /nfs/dbraw/zinc/52/10/22/323521022.db2.gz MDXWXNRGQJAJAL-SNVBAGLBSA-N 2 0 230.315 1.719 20 0 BDADRP CC[NH2+]CCC[NH2+][C@H](C)CCCOC ZINC000572234311 323576020 /nfs/dbraw/zinc/57/60/20/323576020.db2.gz REWJUYJOBBSJJB-LLVKDONJSA-N 2 0 202.342 1.391 20 0 BDADRP C[NH2+]Cc1ccccc1NC(=O)CC1(C[NH3+])CC1 ZINC000572355825 323606632 /nfs/dbraw/zinc/60/66/32/323606632.db2.gz BVYYZHUMKZXLSB-UHFFFAOYSA-N 2 0 247.342 1.474 20 0 BDADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)C1CC1 ZINC000122794326 324058483 /nfs/dbraw/zinc/05/84/83/324058483.db2.gz ZKPMFXMZUAXTGQ-DGCLKSJQSA-N 2 0 228.380 1.731 20 0 BDADRP CC(C)COCC[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000158915937 324136994 /nfs/dbraw/zinc/13/69/94/324136994.db2.gz BGXGHNSZHSOVAP-RYUDHWBXSA-N 2 0 214.353 1.471 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CS[C@@H](C)C1 ZINC000398012596 324215947 /nfs/dbraw/zinc/21/59/47/324215947.db2.gz ZBTHFGHEZOGDPV-OUAUKWLOSA-N 2 0 216.394 1.988 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000398012597 324216070 /nfs/dbraw/zinc/21/60/70/324216070.db2.gz ZBTHFGHEZOGDPV-VWYCJHECSA-N 2 0 216.394 1.988 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CCCOC1)C1C[NH2+]C1 ZINC000530208644 324525609 /nfs/dbraw/zinc/52/56/09/324525609.db2.gz GKCNQYGIVZEYAG-GHMZBOCLSA-N 2 0 212.337 1.001 20 0 BDADRP [NH3+]CC1CCC([NH2+]CC[C@H]2CCCOC2)CC1 ZINC000530210340 324527034 /nfs/dbraw/zinc/52/70/34/324527034.db2.gz JWTJOMIQRDMMDI-ROKHWSDSSA-N 2 0 240.391 1.910 20 0 BDADRP CC1(C)C[C@@H]([NH2+]CC[C@@H]2CCCOC2)CC[NH2+]1 ZINC000530212957 324528689 /nfs/dbraw/zinc/52/86/89/324528689.db2.gz SGFNHPLIWZYNBT-STQMWFEESA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H](N[C@@H]1CC[NH2+]C12CCC2)c1c[nH+]ccc1N ZINC000530215214 324531438 /nfs/dbraw/zinc/53/14/38/324531438.db2.gz FKCTXUFDGQYPSP-GXFFZTMASA-N 2 0 246.358 1.429 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN[C@H]1CC[NH2+]C12CCC2 ZINC000530245140 324555792 /nfs/dbraw/zinc/55/57/92/324555792.db2.gz UULASIMQEDTCJI-NEPJUHHUSA-N 2 0 225.380 1.234 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+][C@@H]2CCCOC2)c2ccccc21 ZINC000132109478 325199546 /nfs/dbraw/zinc/19/95/46/325199546.db2.gz KUXJKMIIFIGTHT-SWHYSGLUSA-N 2 0 232.327 1.900 20 0 BDADRP C[NH2+]C[C@](C)(O)C[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000565092824 325855893 /nfs/dbraw/zinc/85/58/93/325855893.db2.gz HGEIMXFDMCBNDA-MJBXVCDLSA-N 2 0 242.407 1.761 20 0 BDADRP [NH3+]C1(c2noc([C@@H]3CCC[NH2+]C3)n2)CCCC1 ZINC000566215412 326015651 /nfs/dbraw/zinc/01/56/51/326015651.db2.gz BXZABHRGHVEMMB-SECBINFHSA-N 2 0 236.319 1.265 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000566245582 326022713 /nfs/dbraw/zinc/02/27/13/326022713.db2.gz VPOLNWAKJXJWDM-LBPRGKRZSA-N 3 0 235.375 1.752 20 0 BDADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@@H](C(C)C)CC1 ZINC000566352131 326036310 /nfs/dbraw/zinc/03/63/10/326036310.db2.gz XGEMUSPXBHNWGT-KGLIPLIRSA-N 2 0 242.407 1.715 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCC2=CC[NH2+]CC2)C1 ZINC000566483796 326051829 /nfs/dbraw/zinc/05/18/29/326051829.db2.gz WWGGBJBOPQGUOL-STQMWFEESA-N 3 0 223.364 1.156 20 0 BDADRP C([C@H]1CC[NH2+]C1)N1CC[NH+](C2CCCC2)CC1 ZINC000052061818 487971492 /nfs/dbraw/zinc/97/14/92/487971492.db2.gz KGAIPFJMMRNLDT-ZDUSSCGKSA-N 2 0 237.391 1.156 20 0 BDADRP c1nc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)co1 ZINC000566678683 326073644 /nfs/dbraw/zinc/07/36/44/326073644.db2.gz HUTUVBAVGQGXMM-VXGBXAGGSA-N 2 0 235.331 1.496 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1cc[nH]c(=O)c1 ZINC000566688456 326074816 /nfs/dbraw/zinc/07/48/16/326074816.db2.gz ABFXRLVHTFSXAL-WCQGTBRESA-N 2 0 235.331 1.708 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@H](F)C1)[C@@H]1CCC[NH2+]1 ZINC000566856210 326088864 /nfs/dbraw/zinc/08/88/64/326088864.db2.gz SRWCPVOTBCEITE-YFKTTZPYSA-N 2 0 214.328 1.997 20 0 BDADRP C[C@]1(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)CC[NH2+]C1 ZINC000566973400 326098610 /nfs/dbraw/zinc/09/86/10/326098610.db2.gz KLDCXWUEBOLYLG-AGIUHOORSA-N 2 0 224.348 1.097 20 0 BDADRP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(C)(C)CC1 ZINC000567054688 326107610 /nfs/dbraw/zinc/10/76/10/326107610.db2.gz XUPODRJZCWUEQJ-GFCCVEGCSA-N 2 0 214.353 1.079 20 0 BDADRP CCc1cnc(CN2C[C@H](C[NH3+])C[C@@H]2C)o1 ZINC000567739565 326253717 /nfs/dbraw/zinc/25/37/17/326253717.db2.gz VLVOUMGZPUJLNS-UWVGGRQHSA-N 2 0 223.320 1.406 20 0 BDADRP COC(=O)C(C)(C)CC[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000567748229 326254948 /nfs/dbraw/zinc/25/49/48/326254948.db2.gz OLZJTPSJOFXCSV-GHMZBOCLSA-N 2 0 242.363 1.387 20 0 BDADRP C[C@@H](c1cnccn1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000567888730 326277191 /nfs/dbraw/zinc/27/71/91/326277191.db2.gz PLVCSSBOYHTFTI-LBPRGKRZSA-N 2 0 246.358 1.613 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](Cc2cccc(N)c2)C1 ZINC000567899545 326279825 /nfs/dbraw/zinc/27/98/25/326279825.db2.gz DKPGMMGVHRYUTC-LBPRGKRZSA-N 2 0 219.332 1.310 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)C1CCOCC1 ZINC000158268755 326314122 /nfs/dbraw/zinc/31/41/22/326314122.db2.gz ZDFKSALIRNTBNL-CHWSQXEVSA-N 2 0 240.391 1.733 20 0 BDADRP [NH3+]Cc1ccc(-c2noc([C@@H]3CCC[NH2+]3)n2)cc1 ZINC000568266922 326337664 /nfs/dbraw/zinc/33/76/64/326337664.db2.gz SUPOELVOTMAKIV-NSHDSACASA-N 2 0 244.298 1.620 20 0 BDADRP CC(C)COCC[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000158915530 326346104 /nfs/dbraw/zinc/34/61/04/326346104.db2.gz BGXGHNSZHSOVAP-VXGBXAGGSA-N 2 0 214.353 1.471 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)CC[C@@H]2CC[NH2+]C2)cc1 ZINC000568628844 326368885 /nfs/dbraw/zinc/36/88/85/326368885.db2.gz FVGFJDJAKBXDGX-GFCCVEGCSA-N 2 0 247.342 1.474 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@H](F)C1)[C@@H]1CCC[NH2+]C1 ZINC000568856563 326379431 /nfs/dbraw/zinc/37/94/31/326379431.db2.gz XGGCWQYMVJIXDX-WHOHXGKFSA-N 2 0 214.328 1.855 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCCC[NH2+]1 ZINC000568856593 326379504 /nfs/dbraw/zinc/37/95/04/326379504.db2.gz AHSYPFYPJULYFM-IGQOVBAYSA-N 2 0 239.407 1.624 20 0 BDADRP CC1(F)CC([NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000572855790 326413680 /nfs/dbraw/zinc/41/36/80/326413680.db2.gz MIJUYPQHFHOVFS-SAAXCQNUSA-N 2 0 200.301 1.737 20 0 BDADRP CC(C)OCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000158923507 487983443 /nfs/dbraw/zinc/98/34/43/487983443.db2.gz GFRIAZFKXLIQTK-GHMZBOCLSA-N 2 0 200.326 1.271 20 0 BDADRP CC(C)OCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000158923649 487983522 /nfs/dbraw/zinc/98/35/22/487983522.db2.gz GFRIAZFKXLIQTK-MNOVXSKESA-N 2 0 200.326 1.271 20 0 BDADRP CC[N@@H+]1CCN(c2cc(C)ccn2)C[C@H]1C ZINC000677153009 487984356 /nfs/dbraw/zinc/98/43/56/487984356.db2.gz MGBZRDXRMDYIAE-GFCCVEGCSA-N 2 0 219.332 1.920 20 0 BDADRP OCC1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000401080235 488007844 /nfs/dbraw/zinc/00/78/44/488007844.db2.gz VTIGEKXXDRKTEW-UHFFFAOYSA-N 2 0 240.391 1.471 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401067077 488024728 /nfs/dbraw/zinc/02/47/28/488024728.db2.gz ZKEIVBKDGARMJV-DGAVXFQQSA-N 2 0 240.391 1.515 20 0 BDADRP CC(C)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000147569565 488036883 /nfs/dbraw/zinc/03/68/83/488036883.db2.gz QSXNNEAJHQEHIF-UHFFFAOYSA-N 2 0 212.337 1.191 20 0 BDADRP CC[C@H](O)C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000230026385 488038395 /nfs/dbraw/zinc/03/83/95/488038395.db2.gz VICAYMJGHVEFFU-AWEZNQCLSA-N 2 0 236.359 1.608 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H](CO)Cc2ccccc2)C1 ZINC000236304124 488056603 /nfs/dbraw/zinc/05/66/03/488056603.db2.gz FSDRREZNGRPVKW-KFWWJZLASA-N 2 0 248.370 1.450 20 0 BDADRP CCCC[N@H+](C)CCNC(=O)[C@H]([NH3+])CC(C)C ZINC000236712965 488082929 /nfs/dbraw/zinc/08/29/29/488082929.db2.gz ISWFAMIELSFRKH-GFCCVEGCSA-N 2 0 243.395 1.208 20 0 BDADRP CCCC[N@H+](C)CCNC(=O)C1([NH3+])CCCC1 ZINC000236711035 488083009 /nfs/dbraw/zinc/08/30/09/488083009.db2.gz OIXUFFGTQZYXKF-UHFFFAOYSA-N 2 0 241.379 1.106 20 0 BDADRP CO[C@@H]1CCC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000230316197 488084137 /nfs/dbraw/zinc/08/41/37/488084137.db2.gz HTZJHBAXRVSPNQ-CQSZACIVSA-N 2 0 240.391 1.877 20 0 BDADRP CC(C)[NH2+][C@H]1CCCN(CC[C@@H](C)O)C1 ZINC000257768447 488087584 /nfs/dbraw/zinc/08/75/84/488087584.db2.gz FUKDVJPRHWJBFP-NEPJUHHUSA-N 2 0 214.353 1.220 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC2(CCC2)C1 ZINC000310222026 488107640 /nfs/dbraw/zinc/10/76/40/488107640.db2.gz GDIOVPLDUPKHDC-CYBMUJFWSA-N 2 0 240.391 1.564 20 0 BDADRP CC(C)[NH2+]CCC(=O)Nc1cccc(C[NH3+])c1 ZINC000669508364 488108931 /nfs/dbraw/zinc/10/89/31/488108931.db2.gz ODCWMUHWMYOCQM-UHFFFAOYSA-N 2 0 235.331 1.472 20 0 BDADRP C[C@H]1CC[NH2+][C@H](C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000669508368 488109103 /nfs/dbraw/zinc/10/91/03/488109103.db2.gz OVRVEYPHFBOUOE-GWCFXTLKSA-N 2 0 247.342 1.472 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H](C)c2cccnc2)C1 ZINC000226537553 488110783 /nfs/dbraw/zinc/11/07/83/488110783.db2.gz SPJDVLDEMCRTLK-GVXVVHGQSA-N 2 0 219.332 1.812 20 0 BDADRP Cc1nnsc1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000309721797 488111211 /nfs/dbraw/zinc/11/12/11/488111211.db2.gz BZRYGEYHJDDGIA-QMMMGPOBSA-N 2 0 240.376 1.406 20 0 BDADRP CC[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)CO1 ZINC000657348769 488115927 /nfs/dbraw/zinc/11/59/27/488115927.db2.gz HNFIWXIGJBANOD-OLZOCXBDSA-N 2 0 226.364 1.485 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000403240762 488118941 /nfs/dbraw/zinc/11/89/41/488118941.db2.gz RALRTLSGMTUDLK-MROQNXINSA-N 2 0 208.349 1.703 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)CC2([NH3+])CCC2)cc1 ZINC000669512457 488119072 /nfs/dbraw/zinc/11/90/72/488119072.db2.gz XYMDAGOQLZGJHZ-SNVBAGLBSA-N 2 0 247.342 1.916 20 0 BDADRP Cc1nccn1CCC[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000667794324 488122541 /nfs/dbraw/zinc/12/25/41/488122541.db2.gz DYYYGYRHUDHKIW-KGLIPLIRSA-N 2 0 249.358 1.739 20 0 BDADRP CCN(CC[NH3+])Cc1ccc(OC)c(C)c1 ZINC000076611365 488124225 /nfs/dbraw/zinc/12/42/25/488124225.db2.gz XQYYUYGDFZDBNZ-UHFFFAOYSA-N 2 0 222.332 1.784 20 0 BDADRP C[C@H](CCO)CC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000397618519 488125009 /nfs/dbraw/zinc/12/50/09/488125009.db2.gz FTYSIFRJWTURIY-STQMWFEESA-N 2 0 242.407 1.715 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000667823481 488129789 /nfs/dbraw/zinc/12/97/89/488129789.db2.gz SIBJOFYVQNVTPB-KGYLQXTDSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCOCc1ccccc1 ZINC000309747377 487540788 /nfs/dbraw/zinc/54/07/88/487540788.db2.gz UWJHTLMVDPEMDA-DZGCQCFKSA-N 2 0 248.370 1.872 20 0 BDADRP C[C@H](CO)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000121242946 490080160 /nfs/dbraw/zinc/08/01/60/490080160.db2.gz LMAWHYNLKLPDIC-YNEHKIRRSA-N 2 0 226.364 1.031 20 0 BDADRP [NH3+][C@@H]1CCCN(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662236171 487470855 /nfs/dbraw/zinc/47/08/55/487470855.db2.gz VAAWVYWBAGKVPL-CQSZACIVSA-N 2 0 245.370 1.255 20 0 BDADRP CO[C@H](C[N@H+](C)C1CC[NH2+]CC1)C1CCC1 ZINC000662238814 487471453 /nfs/dbraw/zinc/47/14/53/487471453.db2.gz XIYIKSZMKPADIW-CYBMUJFWSA-N 2 0 226.364 1.485 20 0 BDADRP Nc1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000334326123 487501831 /nfs/dbraw/zinc/50/18/31/487501831.db2.gz BNCCJMIPUXWHDR-HNNXBMFYSA-N 2 0 245.370 1.844 20 0 BDADRP FC1(F)C[C@H]1OCCN1CC[C@]2(CC[NH2+]C2)C1 ZINC000662266947 487505534 /nfs/dbraw/zinc/50/55/34/487505534.db2.gz QYPDPWQJLGPRME-MNOVXSKESA-N 2 0 246.301 1.096 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@H](CO)CC2CC2)CC1 ZINC000679999853 487512572 /nfs/dbraw/zinc/51/25/72/487512572.db2.gz SDDLSJNHTIKXLN-AWEZNQCLSA-N 2 0 240.391 1.610 20 0 BDADRP CO[C@H](C[N@H+](C)C1CC([NH3+])C1)C1CCC1 ZINC000662274131 487522869 /nfs/dbraw/zinc/52/28/69/487522869.db2.gz RFJAQRSGVJCOEW-HTAVTVPLSA-N 2 0 212.337 1.223 20 0 BDADRP C[C@@H](O)C[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000666128662 487524954 /nfs/dbraw/zinc/52/49/54/487524954.db2.gz SXTZWCJYUFAAKD-JHJVBQTASA-N 2 0 228.380 1.325 20 0 BDADRP Cc1cnccc1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000229658759 487935670 /nfs/dbraw/zinc/93/56/70/487935670.db2.gz ZTMIEWBFIISWQN-TZMCWYRMSA-N 2 0 233.359 1.997 20 0 BDADRP c1ccc2c(c1)CC(C[NH+]1C[C@@H]3C[NH2+]C[C@H]3C1)C2 ZINC000685838988 488120385 /nfs/dbraw/zinc/12/03/85/488120385.db2.gz ASISRXREQPOWSB-HOTGVXAUSA-N 2 0 242.366 1.553 20 0 BDADRP C[N@H+](CCC1CCOCC1)C[C@@H]1CC[NH2+]C1 ZINC000258861327 488140269 /nfs/dbraw/zinc/14/02/69/488140269.db2.gz ISVKKELTORIROK-CYBMUJFWSA-N 2 0 226.364 1.344 20 0 BDADRP C[C@@H]([NH2+]CCC1CC(O)C1)C1CC[NH+](C)CC1 ZINC000683345895 488149040 /nfs/dbraw/zinc/14/90/40/488149040.db2.gz NTFCZMRYTVEEMX-LKSINWNRSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@H]1COC2(CCC2)C1 ZINC000657859212 488152578 /nfs/dbraw/zinc/15/25/78/488152578.db2.gz RBVOKQATTJDJPO-VXGBXAGGSA-N 2 0 226.364 1.628 20 0 BDADRP C[C@](O)(C[NH2+][C@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000379889262 488154805 /nfs/dbraw/zinc/15/48/05/488154805.db2.gz ZLULSNZUMSMFJK-SRVKXCTJSA-N 2 0 212.337 1.007 20 0 BDADRP CC(C)C[C@H]([NH3+])c1noc([C@@H](C[NH3+])C(C)C)n1 ZINC000339394687 488155418 /nfs/dbraw/zinc/15/54/18/488155418.db2.gz JTSIIBWSPMTWCQ-UWVGGRQHSA-N 2 0 240.351 1.814 20 0 BDADRP Cn1nccc1CC[NH+]1CCC(CC[NH3+])CC1 ZINC000230764301 488155889 /nfs/dbraw/zinc/15/58/89/488155889.db2.gz BYWMUSPCVMYRKZ-UHFFFAOYSA-N 2 0 236.363 1.023 20 0 BDADRP C[C@@H](CO)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000678043406 488178064 /nfs/dbraw/zinc/17/80/64/488178064.db2.gz CETILBKSRGGCDZ-TZMCWYRMSA-N 2 0 240.391 1.279 20 0 BDADRP CC(C)[NH+](CCNC(=O)CC1([NH3+])CC1)C(C)C ZINC000398058504 488199624 /nfs/dbraw/zinc/19/96/24/488199624.db2.gz FLBVPSADHCDCLA-UHFFFAOYSA-N 2 0 241.379 1.103 20 0 BDADRP C[C@H](O)CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000085983908 488222383 /nfs/dbraw/zinc/22/23/83/488222383.db2.gz ZHHMBIVWUFPWEC-LBPRGKRZSA-N 2 0 249.358 1.411 20 0 BDADRP CC[N@@H+]1CC[C@H](N(C)Cc2cn[nH]c2)C[C@H]1C ZINC000678277142 488235841 /nfs/dbraw/zinc/23/58/41/488235841.db2.gz RLTIHDYIUBTOIH-YPMHNXCESA-N 2 0 236.363 1.714 20 0 BDADRP c1ccc([C@@H]2C[C@@H]2C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000678343382 488243515 /nfs/dbraw/zinc/24/35/15/488243515.db2.gz SNWZRFUMKOMUEL-FPCVCCKLSA-N 2 0 242.366 1.941 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000049553833 488303846 /nfs/dbraw/zinc/30/38/46/488303846.db2.gz BRXAUJAPKFRAQY-CHWSQXEVSA-N 3 0 241.423 1.647 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000069890339 490191715 /nfs/dbraw/zinc/19/17/15/490191715.db2.gz ITGUKENWRWCALI-RYUDHWBXSA-N 2 0 228.380 1.874 20 0 BDADRP CC[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000383723842 490200597 /nfs/dbraw/zinc/20/05/97/490200597.db2.gz YVWFAUSKVNIABO-KGLIPLIRSA-N 2 0 242.407 1.810 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1cn[nH]c1 ZINC000222508865 490236192 /nfs/dbraw/zinc/23/61/92/490236192.db2.gz IQNLRSJURKWJSH-WDEREUQCSA-N 2 0 236.363 1.791 20 0 BDADRP c1cn2c(n1)C[C@H]([NH2+][C@H]1CO[C@H](C3CC3)C1)CC2 ZINC000668012002 490318728 /nfs/dbraw/zinc/31/87/28/490318728.db2.gz PNWPLHWYCQHWNI-UPJWGTAASA-N 2 0 247.342 1.355 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@H](C)C[C@@H](C)O)CC1 ZINC000305104348 490434039 /nfs/dbraw/zinc/43/40/39/490434039.db2.gz CKGIAKXONBWAQM-CHWSQXEVSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@@H](CC1CCC1)[NH2+]C[C@H]1CN(C)CCN1C ZINC000130820667 490456380 /nfs/dbraw/zinc/45/63/80/490456380.db2.gz XDSKQHAUAZNBFY-JSGCOSHPSA-N 2 0 239.407 1.401 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2CCC[C@@H]2C1 ZINC000383740015 491090553 /nfs/dbraw/zinc/09/05/53/491090553.db2.gz IDYGMBAKTWMGNB-HZSPNIEDSA-N 2 0 240.391 1.419 20 0 BDADRP C[C@@H]1CCC[C@H](C[N@@H+]2CCCO[C@@H](C[NH3+])C2)C1 ZINC000313369740 491124176 /nfs/dbraw/zinc/12/41/76/491124176.db2.gz GICJDOSBNLVKGW-RDBSUJKOSA-N 2 0 240.391 1.862 20 0 BDADRP CCC[C@@](C)(O)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000223527581 491137017 /nfs/dbraw/zinc/13/70/17/491137017.db2.gz UAAWHMNMUSWJBC-TZMCWYRMSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@H](Cc1ccsc1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000309423867 491149093 /nfs/dbraw/zinc/14/90/93/491149093.db2.gz AKMYIRLUSSJHEA-RTXFEEFZSA-N 2 0 236.384 1.830 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000133770028 491160388 /nfs/dbraw/zinc/16/03/88/491160388.db2.gz AJMPKCWDPUTKLR-DGCLKSJQSA-N 2 0 228.380 1.323 20 0 BDADRP C[C@H](NCCC[NH+]1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000400765612 533846048 /nfs/dbraw/zinc/84/60/48/533846048.db2.gz ZEFQJSBWFFPNDG-STQMWFEESA-N 2 0 225.380 1.202 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCCS1)[C@@H]1CCC[NH2+]1 ZINC000400642645 533882040 /nfs/dbraw/zinc/88/20/40/533882040.db2.gz OIEKDRBIQFEPNX-DCAQKATOSA-N 2 0 214.378 1.612 20 0 BDADRP COC(=O)[C@H]1CCC[C@H]([NH2+]CCCC[NH3+])CC1 ZINC001172775103 974940589 /nfs/dbraw/zinc/94/05/89/974940589.db2.gz ZIVKPNZHTMBDQT-RYUDHWBXSA-N 2 0 242.363 1.437 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@H](CO)C1)[C@H]1CCC[NH2+]1 ZINC000400728269 533984915 /nfs/dbraw/zinc/98/49/15/533984915.db2.gz PXMQFUQJIJENSZ-WUHRBBMRSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1CCC[NH2+]1 ZINC000400358531 533989624 /nfs/dbraw/zinc/98/96/24/533989624.db2.gz BFVOKIRQKHPTGC-IGQOVBAYSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@@H](C[NH2+]CC[C@@H]1CCOC1)C[NH+]1CCCC1 ZINC000400535325 534057696 /nfs/dbraw/zinc/05/76/96/534057696.db2.gz IXVQWYYSRGGQNG-UONOGXRCSA-N 2 0 240.391 1.735 20 0 BDADRP CS[C@H](C)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400498866 534060415 /nfs/dbraw/zinc/06/04/15/534060415.db2.gz IAPNBUVTRIKJGZ-BBBLOLIVSA-N 2 0 202.367 1.468 20 0 BDADRP C[C@@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)[N@H+](C)C1CC1 ZINC000400562496 534077559 /nfs/dbraw/zinc/07/75/59/534077559.db2.gz IAOIYJJKTMDZLR-GMXVVIOVSA-N 2 0 225.380 1.199 20 0 BDADRP CC[C@H](O)CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000253014071 535978690 /nfs/dbraw/zinc/97/86/90/535978690.db2.gz FRZJISKFOJKXEV-DGAVXFQQSA-N 2 0 240.391 1.658 20 0 BDADRP COC1CCC(C[NH2+]CCC[NH+](C)C)CC1 ZINC000892429196 582885236 /nfs/dbraw/zinc/88/52/36/582885236.db2.gz HELKPNXXXKRQOA-UHFFFAOYSA-N 2 0 228.380 1.733 20 0 BDADRP C[C@H](O)CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000238851047 525728265 /nfs/dbraw/zinc/72/82/65/525728265.db2.gz DUQNWNUTORGVJR-WISYIIOYSA-N 2 0 214.353 1.076 20 0 BDADRP CCC1(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)COC1 ZINC000400350870 527753926 /nfs/dbraw/zinc/75/39/26/527753926.db2.gz JZEKABGDLDXNBJ-GHMZBOCLSA-N 2 0 212.337 1.143 20 0 BDADRP CC1CC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000400914411 528163910 /nfs/dbraw/zinc/16/39/10/528163910.db2.gz GVHUSFWZUKWLCB-DEZFMIAVSA-N 2 0 208.349 1.763 20 0 BDADRP CC(C)[N@H+](C)CCN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400551016 528823786 /nfs/dbraw/zinc/82/37/86/528823786.db2.gz XNPGPEOOHWBGTA-NWDGAFQWSA-N 2 0 213.369 1.057 20 0 BDADRP CCC(O)(CC)CC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000471760314 528964981 /nfs/dbraw/zinc/96/49/81/528964981.db2.gz QEZMAZHENFBZQS-CHWSQXEVSA-N 2 0 242.407 2.000 20 0 BDADRP CC[NH+]1CCC(N[C@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000400712241 528988554 /nfs/dbraw/zinc/98/85/54/528988554.db2.gz MNGNDOCVMJVYEO-DGCLKSJQSA-N 2 0 225.380 1.201 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000226338992 535002809 /nfs/dbraw/zinc/00/28/09/535002809.db2.gz FWPKUXLHASIMMX-OLZOCXBDSA-N 2 0 227.396 1.434 20 0 BDADRP CC(C)[N@H+](C)CCN[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000250491765 535011692 /nfs/dbraw/zinc/01/16/92/535011692.db2.gz HHZSKLWNHDFVEZ-KGLIPLIRSA-N 2 0 239.407 1.543 20 0 BDADRP CCCCC[N@H+](CCO)CC1CC[NH2+]CC1 ZINC000178957080 535042366 /nfs/dbraw/zinc/04/23/66/535042366.db2.gz FHMRJUWWPFLIEE-UHFFFAOYSA-N 2 0 228.380 1.471 20 0 BDADRP CC(C)[NH+]1CCC(N(C)C[C@H](C)[NH3+])CC1 ZINC000261534806 535152294 /nfs/dbraw/zinc/15/22/94/535152294.db2.gz NAPNTYGOYOWCBK-NSHDSACASA-N 2 0 213.369 1.138 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]CCOCC2CC2)CC1 ZINC000223394161 535161741 /nfs/dbraw/zinc/16/17/41/535161741.db2.gz HJXMQPKRNKEWPI-UHFFFAOYSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H](CCCCO)[NH2+]CCC[NH+]1CCCC1 ZINC000393746256 582922286 /nfs/dbraw/zinc/92/22/86/582922286.db2.gz KCXXYKKXCHGSLD-CYBMUJFWSA-N 2 0 228.380 1.613 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C)C1(C)C ZINC000261553884 535514780 /nfs/dbraw/zinc/51/47/80/535514780.db2.gz OJRYPNHWBUYXBT-QNWHQSFQSA-N 2 0 240.391 1.778 20 0 BDADRP CCC[C@]1(CO)CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000262016174 535768121 /nfs/dbraw/zinc/76/81/21/535768121.db2.gz VROLVXUSWOCYQJ-CQSZACIVSA-N 2 0 240.391 1.613 20 0 BDADRP CC[C@@H](O)C[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC000274902743 535813390 /nfs/dbraw/zinc/81/33/90/535813390.db2.gz LOLBZXCTCCVPOB-CQSZACIVSA-N 2 0 249.358 1.283 20 0 BDADRP CC[C@@H]1C[C@H](C[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)CCO1 ZINC000262061738 535900209 /nfs/dbraw/zinc/90/02/09/535900209.db2.gz RESPPVNJCSEIKK-UMSGYPCISA-N 2 0 226.364 1.471 20 0 BDADRP CC[C@@](C)(CCO)[NH2+]CC1CC[NH2+]CC1 ZINC000220389931 535977540 /nfs/dbraw/zinc/97/75/40/535977540.db2.gz YSFHBCMYSFOBBW-LBPRGKRZSA-N 2 0 214.353 1.127 20 0 BDADRP C[NH+](C)[C@H]1CCC[N@H+](CC2=CCCOC2)CC1 ZINC000336138898 536135820 /nfs/dbraw/zinc/13/58/20/536135820.db2.gz SRTQKIAPNVFTLN-AWEZNQCLSA-N 2 0 238.375 1.749 20 0 BDADRP C[NH+](C)[C@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000084419880 536138043 /nfs/dbraw/zinc/13/80/43/536138043.db2.gz IFETWKKVSHLNPB-OLZOCXBDSA-N 2 0 225.380 1.012 20 0 BDADRP C[NH+]1CCC(c2nc(C3([NH3+])CCC3)no2)CC1 ZINC000261664515 536346013 /nfs/dbraw/zinc/34/60/13/536346013.db2.gz FVZHYMIIRCBVOR-UHFFFAOYSA-N 2 0 236.319 1.217 20 0 BDADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](CO)C1 ZINC000217614926 536357866 /nfs/dbraw/zinc/35/78/66/536357866.db2.gz LGHIGZXFUQWJOZ-KGLIPLIRSA-N 2 0 240.391 1.565 20 0 BDADRP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@@H]3CCOC3)C2)C1 ZINC000335901307 536381563 /nfs/dbraw/zinc/38/15/63/536381563.db2.gz XEKNDRKJRCSNER-UONOGXRCSA-N 2 0 238.375 1.441 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])C1CC1 ZINC000262022931 536646234 /nfs/dbraw/zinc/64/62/34/536646234.db2.gz YISXZRLPTDTBKF-YNEHKIRRSA-N 2 0 226.364 1.519 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])C1CC1 ZINC000261967509 536646384 /nfs/dbraw/zinc/64/63/84/536646384.db2.gz BSSYFLCJQOIDJX-IJLUTSLNSA-N 2 0 212.337 1.128 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CCc1ccco1 ZINC000234786649 536850252 /nfs/dbraw/zinc/85/02/52/536850252.db2.gz FIZOXGGQYMZIIY-NSHDSACASA-N 2 0 226.320 1.166 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000227497201 536875271 /nfs/dbraw/zinc/87/52/71/536875271.db2.gz PNOIJVHEIIPATD-NWDGAFQWSA-N 2 0 228.380 1.731 20 0 BDADRP COc1ccccc1CC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000230287021 537040256 /nfs/dbraw/zinc/04/02/56/537040256.db2.gz HLVFAVJYALXGHD-KBPBESRZSA-N 2 0 248.370 1.955 20 0 BDADRP COc1ccccc1C[NH2+]C[C@@H](C)C[NH3+] ZINC000258844316 537047772 /nfs/dbraw/zinc/04/77/72/537047772.db2.gz WORJAGYKDSTOGK-JTQLQIEISA-N 2 0 208.305 1.380 20 0 BDADRP C[C@](C[NH3+])([NH2+]CCC1SCCS1)C1CC1 ZINC000853022583 588716308 /nfs/dbraw/zinc/71/63/08/588716308.db2.gz BNDDDWIMJSPIJH-LLVKDONJSA-N 2 0 246.445 1.900 20 0 BDADRP CC[C@H]1C[C@H](C[NH2+]CC23CC(C2)C[NH2+]3)CCO1 ZINC000853245634 588728627 /nfs/dbraw/zinc/72/86/27/588728627.db2.gz AGZHWERSIRFLJO-ZIHBUVQPSA-N 2 0 238.375 1.533 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000854229757 588781091 /nfs/dbraw/zinc/78/10/91/588781091.db2.gz WQYDKKGVJBBWLG-DBIOUOCHSA-N 2 0 248.317 1.516 20 0 BDADRP CC(C)NC(=[NH2+])NCC1([NH+](C)C)CCCC1 ZINC000112800644 588817257 /nfs/dbraw/zinc/81/72/57/588817257.db2.gz ARXLUANQMBIUQP-UHFFFAOYSA-N 2 0 226.368 1.383 20 0 BDADRP CC(C)CNC(=[NH2+])NC[C@H](C)[NH+]1CCCC1 ZINC000112800789 588817403 /nfs/dbraw/zinc/81/74/03/588817403.db2.gz FTMJLZAMOFHSKI-NSHDSACASA-N 2 0 226.368 1.241 20 0 BDADRP CC[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000804797928 582559327 /nfs/dbraw/zinc/55/93/27/582559327.db2.gz RKRVQWZPBIMZCJ-NSHDSACASA-N 2 0 205.305 1.612 20 0 BDADRP Cc1ccc(CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1C ZINC000892251871 582813078 /nfs/dbraw/zinc/81/30/78/582813078.db2.gz KYOQPZTVJMRHNM-IYBDPMFKSA-N 2 0 244.382 1.997 20 0 BDADRP CNC(=[NH2+])NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000848988176 582818849 /nfs/dbraw/zinc/81/88/49/582818849.db2.gz KCYRJSVFIJVXDO-QWRGUYRKSA-N 2 0 226.368 1.098 20 0 BDADRP CC(C)NC(=[NH2+])NCC[C@@H]1CCC[N@H+](C)C1 ZINC000849041720 582839254 /nfs/dbraw/zinc/83/92/54/582839254.db2.gz VPHQUGSMNROAPE-NSHDSACASA-N 2 0 226.368 1.241 20 0 BDADRP COC1(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CCCCC1 ZINC000319189528 582855167 /nfs/dbraw/zinc/85/51/67/582855167.db2.gz OKKQRPJSPUZYEU-CHWSQXEVSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)C1CC[NH+](C)CC1 ZINC000134643770 582945103 /nfs/dbraw/zinc/94/51/03/582945103.db2.gz XUTRRRSGTAFKSV-MBNYWOFBSA-N 2 0 238.375 1.243 20 0 BDADRP C[C@@H]1CC[C@@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000783244413 582953094 /nfs/dbraw/zinc/95/30/94/582953094.db2.gz UHZGQHHOAHWQFT-OCCSQVGLSA-N 2 0 239.407 1.401 20 0 BDADRP CO[C@H](C[N@@H+]1CCC[C@H](C[NH3+])C1)C1CCCC1 ZINC000852744319 583016452 /nfs/dbraw/zinc/01/64/52/583016452.db2.gz YIQGFIHCBLVXAL-TZMCWYRMSA-N 2 0 240.391 1.862 20 0 BDADRP [NH3+][C@@]12CCC[C@H]1CN(CCOC(F)F)C2 ZINC000857084801 588886449 /nfs/dbraw/zinc/88/64/49/588886449.db2.gz BMLFSQXTKCONNW-WCBMZHEXSA-N 2 0 220.263 1.039 20 0 BDADRP C/C=C\C[C@@H](CO)[NH2+]CC1CC[NH+](C)CC1 ZINC000893662467 583190763 /nfs/dbraw/zinc/19/07/63/583190763.db2.gz XZMZYCVMCJTKSI-SCOBNMCVSA-N 2 0 226.364 1.245 20 0 BDADRP OCC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000843340154 583214440 /nfs/dbraw/zinc/21/44/40/583214440.db2.gz IHNZYKNFTKEGGL-SYQHCUMBSA-N 2 0 238.375 1.125 20 0 BDADRP C[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)[C@H](C)[C@@H](C)O1 ZINC000893888606 583243633 /nfs/dbraw/zinc/24/36/33/583243633.db2.gz KPRGVRGOJDUPGD-JHJVBQTASA-N 2 0 240.391 1.826 20 0 BDADRP [NH3+][C@]12CCC[C@H]1C[N@H+](C[C@H]1CCCOC1)C2 ZINC000857226501 588895861 /nfs/dbraw/zinc/89/58/61/588895861.db2.gz QDDMBJULAAGOHI-AGIUHOORSA-N 2 0 224.348 1.226 20 0 BDADRP C[NH+]1CCC(C[NH+]2CC(C(F)(F)F)C2)CC1 ZINC000894710211 583511791 /nfs/dbraw/zinc/51/17/91/583511791.db2.gz BUYBQIZDXCCPFY-UHFFFAOYSA-N 2 0 236.281 1.822 20 0 BDADRP CC(=O)OC[C@H](C)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000894806752 583522637 /nfs/dbraw/zinc/52/26/37/583522637.db2.gz KGKCZOZAIDVVQA-NSHDSACASA-N 2 0 242.363 1.402 20 0 BDADRP C[NH+]1CCC(C[NH+]2CC3(C2)CCCOC3)CC1 ZINC000894828502 583527099 /nfs/dbraw/zinc/52/70/99/583527099.db2.gz NLXCDPCFMSNADZ-UHFFFAOYSA-N 2 0 238.375 1.441 20 0 BDADRP c1ncc(C[NH2+]CCCCC[NH+]2CCCC2)[nH]1 ZINC000894860677 583534376 /nfs/dbraw/zinc/53/43/76/583534376.db2.gz USLRQBNUIOUHEA-UHFFFAOYSA-N 2 0 236.363 1.765 20 0 BDADRP CC(=O)OC[C@H](C)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000894860781 583534603 /nfs/dbraw/zinc/53/46/03/583534603.db2.gz GLMYAQCHULIUIW-WCQYABFASA-N 2 0 242.363 1.260 20 0 BDADRP CC(=O)OC[C@@H](C)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000894860782 583534751 /nfs/dbraw/zinc/53/47/51/583534751.db2.gz GLMYAQCHULIUIW-YPMHNXCESA-N 2 0 242.363 1.260 20 0 BDADRP Cc1ccnc(N)c1CN(C)C[C@@H]1CCC[N@@H+]1C ZINC000895036697 583570325 /nfs/dbraw/zinc/57/03/25/583570325.db2.gz PDXDAAOYOKIGES-LBPRGKRZSA-N 2 0 248.374 1.498 20 0 BDADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1COCC1(C)C ZINC000895128687 583600678 /nfs/dbraw/zinc/60/06/78/583600678.db2.gz ALNVTHYRZPHSTJ-CYBMUJFWSA-N 2 0 242.407 1.979 20 0 BDADRP C[C@H](CC[NH2+]CCC[C@@H]1CCO1)[NH+](C)C ZINC000895292655 583638798 /nfs/dbraw/zinc/63/87/98/583638798.db2.gz SYNONSFIIWPKAW-VXGBXAGGSA-N 2 0 214.353 1.485 20 0 BDADRP C[C@H](Cc1cnccn1)[NH2+]CC[C@H](C)[NH+](C)C ZINC000895293821 583639736 /nfs/dbraw/zinc/63/97/36/583639736.db2.gz ROAZHOHNRXDUMA-NEPJUHHUSA-N 2 0 236.363 1.337 20 0 BDADRP CC1=NO[C@H](CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000895306243 583643703 /nfs/dbraw/zinc/64/37/03/583643703.db2.gz BLTMTKHPCBJCPT-UPJWGTAASA-N 2 0 237.347 1.368 20 0 BDADRP Cc1nccc(N2CC[C@@H](CC[NH+](C)C)C2)n1 ZINC000895331699 583653326 /nfs/dbraw/zinc/65/33/26/583653326.db2.gz VUJSOSXJVKUWTK-GFCCVEGCSA-N 2 0 234.347 1.563 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC000895435247 583673120 /nfs/dbraw/zinc/67/31/20/583673120.db2.gz YNGOBOLUEUILDI-CLLJXQQHSA-N 2 0 208.349 1.716 20 0 BDADRP CC1(C)CC[N@H+](CCNc2cc[nH+]c(CO)c2)C1 ZINC000897248237 583902221 /nfs/dbraw/zinc/90/22/21/583902221.db2.gz NNDJWEUYHUNMKB-UHFFFAOYSA-N 2 0 249.358 1.718 20 0 BDADRP C[C@@H]1CCCC[N@@H+]1CCNc1cc[nH+]c(CO)c1 ZINC000858348394 588947533 /nfs/dbraw/zinc/94/75/33/588947533.db2.gz AEFBZSVSRXVLOH-GFCCVEGCSA-N 2 0 249.358 1.860 20 0 BDADRP CC(C)[N@H+](C)CCCNC(=[NH2+])NCCC1CC1 ZINC000864452963 584005172 /nfs/dbraw/zinc/00/51/72/584005172.db2.gz RDBAAXFCZOIYSC-UHFFFAOYSA-N 2 0 240.395 1.631 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC[C@@H](O)C2CC2)CC[N@@H+]1C ZINC000898200278 584099184 /nfs/dbraw/zinc/09/91/84/584099184.db2.gz VOFOYVRPXZQXPU-KGYLQXTDSA-N 2 0 226.364 1.220 20 0 BDADRP Cc1ncccc1CC[NH2+]Cc1cnc[nH]1 ZINC000898251805 584100569 /nfs/dbraw/zinc/10/05/69/584100569.db2.gz MRUDWDHXMGZUAE-UHFFFAOYSA-N 2 0 216.288 1.445 20 0 BDADRP C[NH+](C)CC(C)(C)C[N@H+](C)CC[C@H]1CCOC1 ZINC000898308108 584109473 /nfs/dbraw/zinc/10/94/73/584109473.db2.gz OICJSVMSPZJBNN-ZDUSSCGKSA-N 2 0 242.407 1.933 20 0 BDADRP C[NH+](C)CC(C)(C)C[N@H+](C)C[C@@H]1CCCOC1 ZINC000898308142 584109806 /nfs/dbraw/zinc/10/98/06/584109806.db2.gz PQKFHRZXTJOSBP-ZDUSSCGKSA-N 2 0 242.407 1.933 20 0 BDADRP CCC1(CC)[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C[C@H]1OC ZINC000873256289 584128055 /nfs/dbraw/zinc/12/80/55/584128055.db2.gz MRCBYFZQDWPUPB-FDYHWXHSSA-N 2 0 240.391 1.907 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)[C@@H]2CCC[C@@H]21 ZINC000873254921 584128322 /nfs/dbraw/zinc/12/83/22/584128322.db2.gz BJMZCZRMJCKUKG-PEDHHIEDSA-N 3 0 237.391 1.186 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cccc(CO)c1 ZINC000873258246 584128325 /nfs/dbraw/zinc/12/83/25/584128325.db2.gz YWKXTAUMBUTKOW-MPKXVKKWSA-N 2 0 234.343 1.567 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1)C1C[NH2+]C1 ZINC000873281880 584128577 /nfs/dbraw/zinc/12/85/77/584128577.db2.gz QHEQROHBYUACRI-UKJIMTQDSA-N 2 0 224.348 1.142 20 0 BDADRP C[C@@H](NC(=[NH2+])NCC1CC[NH+](C)CC1)C1CC1 ZINC000899264851 584189096 /nfs/dbraw/zinc/18/90/96/584189096.db2.gz NUKGUKUBVIOEKK-SNVBAGLBSA-N 2 0 238.379 1.241 20 0 BDADRP CC(C)[N@H+](C)CCCNC(=[NH2+])N[C@@H](C)C1CC1 ZINC000899265383 584189774 /nfs/dbraw/zinc/18/97/74/584189774.db2.gz AMYUNEGLYYBXHA-NSHDSACASA-N 2 0 240.395 1.629 20 0 BDADRP C[C@@H](NC(=[NH2+])NC[C@H]1CCC[N@H+](C)C1)C1CC1 ZINC000899266862 584190118 /nfs/dbraw/zinc/19/01/18/584190118.db2.gz IGBMNBSCYHTBRE-GHMZBOCLSA-N 2 0 238.379 1.241 20 0 BDADRP CC[NH+](CC)CCCNC(=[NH2+])N[C@@H](C)C1CC1 ZINC000899263667 584191109 /nfs/dbraw/zinc/19/11/09/584191109.db2.gz IGFJJLSZLUSEOI-NSHDSACASA-N 2 0 240.395 1.631 20 0 BDADRP [NH3+][C@H]1CCc2cc(C3=CC[NH2+]CC3)ccc2C1 ZINC000899321972 584196807 /nfs/dbraw/zinc/19/68/07/584196807.db2.gz BSVZXSNZUKPBSH-HNNXBMFYSA-N 2 0 228.339 1.879 20 0 BDADRP CC(C)(C)[C@@H]([NH3+])Cc1nc(C2([NH3+])CCC2)no1 ZINC000900009506 584264768 /nfs/dbraw/zinc/26/47/68/584264768.db2.gz YOFBBOJODPRAMW-QMMMGPOBSA-N 2 0 238.335 1.323 20 0 BDADRP CC(C)C[C@H]([NH3+])Cc1nc([C@H]2CCC[NH2+]2)no1 ZINC000900010578 584265415 /nfs/dbraw/zinc/26/54/15/584265415.db2.gz UBVIOGJTEMFDTN-VHSXEESVSA-N 2 0 238.335 1.410 20 0 BDADRP C[C@]1(c2nc([C@@H]3CCC[NH2+]3)no2)CCC[NH2+]1 ZINC000900010890 584266109 /nfs/dbraw/zinc/26/61/09/584266109.db2.gz YSEXHGZHEHGLFB-GZMMTYOYSA-N 2 0 222.292 1.093 20 0 BDADRP CC1(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)COC1 ZINC000902319362 584551208 /nfs/dbraw/zinc/55/12/08/584551208.db2.gz MPCBFAVQJGUOKD-LLVKDONJSA-N 2 0 226.364 1.391 20 0 BDADRP CN1CC[C@@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902321352 584552636 /nfs/dbraw/zinc/55/26/36/584552636.db2.gz UVNQKOCWKJPEDI-NWDGAFQWSA-N 2 0 225.380 1.058 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902346423 584558085 /nfs/dbraw/zinc/55/80/85/584558085.db2.gz LUBDOMOVEWUYMP-CHWSQXEVSA-N 2 0 239.407 1.448 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902328071 584561115 /nfs/dbraw/zinc/56/11/15/584561115.db2.gz IWXZVDSWLAHOCD-CYBMUJFWSA-N 3 0 241.423 1.696 20 0 BDADRP CC1(C)[C@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)C[C@@H]1O ZINC000902376329 584567884 /nfs/dbraw/zinc/56/78/84/584567884.db2.gz JGZWSFGMNLBASF-TUAOUCFPSA-N 2 0 240.391 1.514 20 0 BDADRP CC[C@@](C)(O)C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902359225 584570609 /nfs/dbraw/zinc/57/06/09/584570609.db2.gz GNTNGQNDZUPLAR-DGCLKSJQSA-N 2 0 228.380 1.515 20 0 BDADRP CC(C)(CCO)C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902358709 584570875 /nfs/dbraw/zinc/57/08/75/584570875.db2.gz COAHEERJXSDWSN-GFCCVEGCSA-N 2 0 242.407 1.763 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000902406315 584573942 /nfs/dbraw/zinc/57/39/42/584573942.db2.gz RWGFOTGVCBEMLK-FRRDWIJNSA-N 3 0 239.407 1.482 20 0 BDADRP CC(C)[C@@H](CO)C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902384508 584577257 /nfs/dbraw/zinc/57/72/57/584577257.db2.gz LQCSRMWVXSXQSN-OLZOCXBDSA-N 2 0 242.407 1.619 20 0 BDADRP CC[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)C(C)(C)O ZINC000902388401 584580108 /nfs/dbraw/zinc/58/01/08/584580108.db2.gz PKQYKKSJPLAGOM-NWDGAFQWSA-N 2 0 242.407 1.904 20 0 BDADRP CC1(C)C[NH2+]CC[C@H](NC[C@@H]2CCC[NH2+]2)C1 ZINC000902390407 584581171 /nfs/dbraw/zinc/58/11/71/584581171.db2.gz LSCKFSTYZJPOCJ-RYUDHWBXSA-N 2 0 225.380 1.106 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H](NC[C@H]2CCC[NH2+]2)C1 ZINC000902390409 584581426 /nfs/dbraw/zinc/58/14/26/584581426.db2.gz LSCKFSTYZJPOCJ-VXGBXAGGSA-N 2 0 225.380 1.106 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H](NC[C@@H]2CCC[NH2+]2)C1 ZINC000902390404 584581505 /nfs/dbraw/zinc/58/15/05/584581505.db2.gz LSCKFSTYZJPOCJ-NEPJUHHUSA-N 2 0 225.380 1.106 20 0 BDADRP CC(C)[C@@H]([NH3+])CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902392540 584583936 /nfs/dbraw/zinc/58/39/36/584583936.db2.gz JHYYFNHMBHDIEU-RYUDHWBXSA-N 2 0 227.396 1.338 20 0 BDADRP NOCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000902415715 584589417 /nfs/dbraw/zinc/58/94/17/584589417.db2.gz POVDKSJEYARRCI-YNEHKIRRSA-N 2 0 241.379 1.167 20 0 BDADRP NC1(C[NH2+]C2CCN(c3ccccn3)CC2)CC1 ZINC000902418213 584591784 /nfs/dbraw/zinc/59/17/84/584591784.db2.gz WLOSMOQVZQQAEN-UHFFFAOYSA-N 3 0 246.358 1.131 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)[C@@H]1CCC[NH2+]1 ZINC000902429708 584594720 /nfs/dbraw/zinc/59/47/20/584594720.db2.gz NIIUIRRMJCXAPN-XUXIUFHCSA-N 2 0 240.391 1.658 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CC[C@H](C2CC2)O1 ZINC000902432722 584595438 /nfs/dbraw/zinc/59/54/38/584595438.db2.gz WVEJIXPCZSFCJX-YRRQLQLVSA-N 2 0 226.364 1.659 20 0 BDADRP C[C@H]1[NH2+]CCC[C@@H]1N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902431463 584595587 /nfs/dbraw/zinc/59/55/87/584595587.db2.gz FIFHJUGPJKFJGM-AQNFWKISSA-N 2 0 245.370 1.341 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000902433290 584596241 /nfs/dbraw/zinc/59/62/41/584596241.db2.gz ZWSKIHFKESQAFV-LOWDOPEQSA-N 2 0 226.364 1.397 20 0 BDADRP C[C@@H](N[C@@H]1Cc2ccccc2[C@H]1[NH3+])[C@@H]1CCC[NH2+]1 ZINC000902435823 584596434 /nfs/dbraw/zinc/59/64/34/584596434.db2.gz VMBMRMRTWHLNKS-AQNFWKISSA-N 2 0 245.370 1.341 20 0 BDADRP COCC[C@@H]1CCC[C@H]1[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902442039 584597678 /nfs/dbraw/zinc/59/76/78/584597678.db2.gz HJHYOEJLYUIVFJ-XQQFMLRXSA-N 2 0 240.391 1.779 20 0 BDADRP CC1(C)C[NH2+]C[C@H]1NC1CC[NH+](C2CC2)CC1 ZINC000902445547 584599135 /nfs/dbraw/zinc/59/91/35/584599135.db2.gz QAANAQGWQCXZMF-CYBMUJFWSA-N 2 0 237.391 1.201 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]CC2([NH3+])CC2)C12CCC2 ZINC000902413569 584599668 /nfs/dbraw/zinc/59/96/68/584599668.db2.gz OBORVLIJJYISAK-GHMZBOCLSA-N 2 0 224.348 1.415 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@H]1CCCCC[NH2+]1 ZINC000902479448 584604213 /nfs/dbraw/zinc/60/42/13/584604213.db2.gz YAPZHWNFICPAJW-XQQFMLRXSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902447273 584604637 /nfs/dbraw/zinc/60/46/37/584604637.db2.gz XUOPLVYDYIWIKS-MNOVXSKESA-N 3 0 213.369 1.092 20 0 BDADRP C[C@@H](NCC[N@@H+]1CCC(C)(C)C1)[C@H]1CCC[NH2+]1 ZINC000902454166 584608575 /nfs/dbraw/zinc/60/85/75/584608575.db2.gz GPPIJCZPZFFECV-CHWSQXEVSA-N 2 0 239.407 1.448 20 0 BDADRP C1C[NH2+][C@H]([C@@H]2CCC[C@@H]2N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000902461995 584611774 /nfs/dbraw/zinc/61/17/74/584611774.db2.gz RYVKVTVASFOMKP-GXYBRJDSSA-N 2 0 249.402 1.390 20 0 BDADRP CC[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@@H]1C[C@H]1C ZINC000902460611 584611827 /nfs/dbraw/zinc/61/18/27/584611827.db2.gz HOCCHWYXSFGUBC-HDLKOFKZSA-N 2 0 208.349 1.904 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@]12C[C@H]1COC21CCC1 ZINC000902462327 584612301 /nfs/dbraw/zinc/61/23/01/584612301.db2.gz UPYMUJRYSVNCKP-QNWHQSFQSA-N 2 0 238.375 1.661 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000902462321 584612343 /nfs/dbraw/zinc/61/23/43/584612343.db2.gz UNSAWAOVEYCICG-UMSGYPCISA-N 2 0 237.391 1.247 20 0 BDADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000902490106 584617148 /nfs/dbraw/zinc/61/71/48/584617148.db2.gz SDZMIULOZYXGBP-NUZBWSBOSA-N 3 0 231.343 1.458 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H]1CCCCC[NH2+]1 ZINC000902481390 584623295 /nfs/dbraw/zinc/62/32/95/584623295.db2.gz CHURUNYUEPNJTD-AGIUHOORSA-N 2 0 225.380 1.106 20 0 BDADRP Cc1ncccc1CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000902511466 584623550 /nfs/dbraw/zinc/62/35/50/584623550.db2.gz FBOQVZRVOSZRCJ-ZIAGYGMSSA-N 2 0 233.359 1.792 20 0 BDADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H]2CCCc3cccnc32)C1 ZINC000902483784 584624926 /nfs/dbraw/zinc/62/49/26/584624926.db2.gz BSNIVWGFVKEBKF-DRZSPHRISA-N 2 0 231.343 1.786 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1NC[C@@H]1CCCCC[NH2+]1 ZINC000902484208 584624998 /nfs/dbraw/zinc/62/49/98/584624998.db2.gz UPMUIAACJYQEQQ-MJBXVCDLSA-N 2 0 239.407 1.768 20 0 BDADRP Cc1ncccc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000902514138 584629242 /nfs/dbraw/zinc/62/92/42/584629242.db2.gz QSZVSTHWCMRTTR-YIONKMFJSA-N 2 0 245.370 1.805 20 0 BDADRP Cc1ncccc1CC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000902513897 584629619 /nfs/dbraw/zinc/62/96/19/584629619.db2.gz PESVUIRWWLEFFD-ZIAGYGMSSA-N 2 0 233.359 1.650 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2COC[C@@H]2C2CC2)C1 ZINC000902522021 584631505 /nfs/dbraw/zinc/63/15/05/584631505.db2.gz VEWZLXYNGAESFD-XQHKEYJVSA-N 2 0 224.348 1.271 20 0 BDADRP C[NH+](C)CCC[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902720018 584659452 /nfs/dbraw/zinc/65/94/52/584659452.db2.gz BUDYYRPYWKBJQO-QSLWVIQJSA-N 2 0 238.375 1.341 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H]1OC ZINC000903067368 584723135 /nfs/dbraw/zinc/72/31/35/584723135.db2.gz SEORFMNHNWIYRG-CHWSQXEVSA-N 2 0 244.379 1.112 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CCOC12CCCC2)C[NH+](C)C ZINC000903174725 584732607 /nfs/dbraw/zinc/73/26/07/584732607.db2.gz NBNIGLWPDBGMPS-CHWSQXEVSA-N 2 0 240.391 1.875 20 0 BDADRP CC[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](C)C1 ZINC000903302881 584745311 /nfs/dbraw/zinc/74/53/11/584745311.db2.gz HJKBOWIGJPBIIA-RFQIPJPRSA-N 2 0 239.407 1.399 20 0 BDADRP CC[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](C)C1 ZINC000903302883 584745457 /nfs/dbraw/zinc/74/54/57/584745457.db2.gz HJKBOWIGJPBIIA-YIYPIFLZSA-N 2 0 239.407 1.399 20 0 BDADRP CC[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C)[C@H]2C)[C@@H](C)C1 ZINC000903302882 584745511 /nfs/dbraw/zinc/74/55/11/584745511.db2.gz HJKBOWIGJPBIIA-XDQVBPFNSA-N 2 0 239.407 1.399 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+]CCN1CCC(C)(C)C1 ZINC000903346035 584753052 /nfs/dbraw/zinc/75/30/52/584753052.db2.gz ZTYAQKCCOSNXHS-CHWSQXEVSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000903430773 584761360 /nfs/dbraw/zinc/76/13/60/584761360.db2.gz ASROMNSAMZYJHW-AGIUHOORSA-N 2 0 248.374 1.445 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@H+](C[C@@H]2CCOC2)C2CC2)C1 ZINC000903431693 584762283 /nfs/dbraw/zinc/76/22/83/584762283.db2.gz VNOXCAOXFUEOJB-RWMBFGLXSA-N 2 0 238.375 1.615 20 0 BDADRP C[C@H](N)[C@@H]1CCCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903421710 584764007 /nfs/dbraw/zinc/76/40/07/584764007.db2.gz RXNWGNSCCPXBBY-RNJOBUHISA-N 2 0 225.380 1.316 20 0 BDADRP CC[C@](C)(CC(=O)OC)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903459739 584765750 /nfs/dbraw/zinc/76/57/50/584765750.db2.gz YOKGYBSHNIFKLZ-NTZNESFSSA-N 2 0 242.363 1.435 20 0 BDADRP COC[C@H](C[NH2+][C@@H]1CCCC[C@H]1[NH3+])C(C)C ZINC000903459642 584766034 /nfs/dbraw/zinc/76/60/34/584766034.db2.gz NAQLHLOVPWHFOO-YNEHKIRRSA-N 2 0 228.380 1.765 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCCOC1 ZINC000903459460 584766212 /nfs/dbraw/zinc/76/62/12/584766212.db2.gz TZLSQODAVIQDBO-XQHKEYJVSA-N 2 0 226.364 1.247 20 0 BDADRP [NH3+]C[C@H]1c2ccccc2CCN1C[C@H]1CCC[NH2+]1 ZINC000903460459 584766491 /nfs/dbraw/zinc/76/64/91/584766491.db2.gz CWHYHNAXWLFHAP-HIFRSBDPSA-N 2 0 245.370 1.297 20 0 BDADRP [NH3+][C@@H]1CC[C@H](CN2C[C@H]([NH3+])Cc3ccccc32)C1 ZINC000903460037 584766863 /nfs/dbraw/zinc/76/68/63/584766863.db2.gz VCERUTGUWWTENJ-IACUBPJLSA-N 2 0 245.370 1.504 20 0 BDADRP CC[N@H+](C)C[C@@H]1CCN(C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903444981 584769243 /nfs/dbraw/zinc/76/92/43/584769243.db2.gz HDDBTAGTXUASKK-RDBSUJKOSA-N 2 0 239.407 1.116 20 0 BDADRP CC(C)[NH2+]C1CCN(C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903446404 584770185 /nfs/dbraw/zinc/77/01/85/584770185.db2.gz WNHHXMYJGYGJLP-OLZOCXBDSA-N 2 0 239.407 1.304 20 0 BDADRP C([C@H]1CCC[NH2+]1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000903446479 584770298 /nfs/dbraw/zinc/77/02/98/584770298.db2.gz XDHKLVHGPIKKBG-MJBXVCDLSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN1CCCC[C@H]1CC[NH3+] ZINC000903452851 584772492 /nfs/dbraw/zinc/77/24/92/584772492.db2.gz STAWORLLMGOBJU-AGIUHOORSA-N 2 0 225.380 1.045 20 0 BDADRP C(C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)OC1CC1 ZINC000903454452 584773629 /nfs/dbraw/zinc/77/36/29/584773629.db2.gz ZWSXQYQELAFJEZ-OCCSQVGLSA-N 2 0 238.375 1.629 20 0 BDADRP COC[C@H](C[NH2+][C@@H]1CC[NH2+]CC1(C)C)C(C)C ZINC000903455514 584773971 /nfs/dbraw/zinc/77/39/71/584773971.db2.gz XZALMHZTHDAJTJ-QWHCGFSZSA-N 2 0 242.407 1.883 20 0 BDADRP C([NH2+][C@H]1CC[NH2+]C12CCC2)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000903472946 584776330 /nfs/dbraw/zinc/77/63/30/584776330.db2.gz XRBQVQGPBUJDSJ-RNJOBUHISA-N 2 0 220.360 1.907 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C[C@H]1C[NH3+] ZINC000903476844 584777418 /nfs/dbraw/zinc/77/74/18/584777418.db2.gz LRWIZFQYKGFPDK-PZWNZHSQSA-N 2 0 244.329 1.804 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2C[C@@]23CCOC3)C[C@H]1CC[NH3+] ZINC000903499328 584779929 /nfs/dbraw/zinc/77/99/29/584779929.db2.gz RGMYHWLZVJEYLH-AAVRWANBSA-N 2 0 238.375 1.330 20 0 BDADRP CC1(C)C[N@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H]1N ZINC000903558875 584783092 /nfs/dbraw/zinc/78/30/92/584783092.db2.gz SFSKPGPOTJFZLK-NWDGAFQWSA-N 2 0 225.380 1.045 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903716535 584791757 /nfs/dbraw/zinc/79/17/57/584791757.db2.gz OKWDHEQLSKXZFQ-OLZOCXBDSA-N 3 0 239.407 1.435 20 0 BDADRP C[C@@H]1CN(C[C@@H]2CCCC[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC000903716404 584791826 /nfs/dbraw/zinc/79/18/26/584791826.db2.gz MFAPBUVZYMANDY-JHJVBQTASA-N 2 0 225.380 1.058 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](CCOC2CCSCC2)C1 ZINC000903717096 584792057 /nfs/dbraw/zinc/79/20/57/584792057.db2.gz ZONVXYZCMAPKCW-LLVKDONJSA-N 2 0 244.404 1.179 20 0 BDADRP C[N@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C1CCCC1 ZINC000903717950 584792213 /nfs/dbraw/zinc/79/22/13/584792213.db2.gz GKDUGBOBMJOXBM-KBPBESRZSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@@H]1CCC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903730643 584792900 /nfs/dbraw/zinc/79/29/00/584792900.db2.gz YFSJDLDJZAHMKL-CHWSQXEVSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@@H]1C[NH+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C[C@H]1C ZINC000903734754 584795909 /nfs/dbraw/zinc/79/59/09/584795909.db2.gz WCRDMKKGOFXUOV-MQYQWHSLSA-N 2 0 238.375 1.343 20 0 BDADRP CC1CC(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)C1 ZINC000903761588 584797070 /nfs/dbraw/zinc/79/70/70/584797070.db2.gz WUKAGLPOAVZZBD-POOIEITISA-N 2 0 210.365 1.949 20 0 BDADRP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000903767139 584798032 /nfs/dbraw/zinc/79/80/32/584798032.db2.gz UQPKHBWTWJKSOT-XUXIUFHCSA-N 2 0 236.359 1.097 20 0 BDADRP [NH3+]CCC1CC[NH+](C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903769051 584798167 /nfs/dbraw/zinc/79/81/67/584798167.db2.gz YMKATEIOMLVRFO-CQSZACIVSA-N 3 0 239.407 1.437 20 0 BDADRP C[C@H](O)C[N@H+](C[C@@H]1CCCC[NH2+]C1)C1CC1 ZINC000903767190 584798345 /nfs/dbraw/zinc/79/83/45/584798345.db2.gz FFNNBRUJRLMCHR-NWDGAFQWSA-N 2 0 226.364 1.221 20 0 BDADRP FC[C@@H]1CC[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903781870 584799894 /nfs/dbraw/zinc/79/98/94/584799894.db2.gz CCRKTFMLJVZRIL-XQQFMLRXSA-N 2 0 242.338 1.046 20 0 BDADRP [NH3+]C[C@]12CC[C@H]1CCCN2CC1CC[NH2+]CC1 ZINC000903796990 584801054 /nfs/dbraw/zinc/80/10/54/584801054.db2.gz ZUDNGSNYDJYVQS-ZIAGYGMSSA-N 2 0 237.391 1.189 20 0 BDADRP [NH3+]C[C@]12CC[C@H]1CCCN2CC[C@H]1CC[NH2+]C1 ZINC000903803182 584802101 /nfs/dbraw/zinc/80/21/01/584802101.db2.gz WPPNPDUBCMEQQO-MGPQQGTHSA-N 2 0 237.391 1.189 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCCSC[C@H]1C ZINC000903829844 584805287 /nfs/dbraw/zinc/80/52/87/584805287.db2.gz MGQGBHICKAXACO-SNVBAGLBSA-N 2 0 202.367 1.423 20 0 BDADRP C[C@@H]1C[N@H+](CCC[NH3+])CCN1c1ccccc1 ZINC000903832873 584806215 /nfs/dbraw/zinc/80/62/15/584806215.db2.gz SDXKFSYSMCWUIA-CYBMUJFWSA-N 2 0 233.359 1.546 20 0 BDADRP C[C@@H]1CCOCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000903831644 584806293 /nfs/dbraw/zinc/80/62/93/584806293.db2.gz LTDIPFAPBOJFLN-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC1CC[NH2+]CC1)C2 ZINC000903843608 584807562 /nfs/dbraw/zinc/80/75/62/584807562.db2.gz OKMPBCPDQWNQJT-IHRRRGAJSA-N 3 0 237.391 1.188 20 0 BDADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](C/C=C\Cl)C2 ZINC000903842993 584807635 /nfs/dbraw/zinc/80/76/35/584807635.db2.gz ZYYOEZGZXJLTMK-GAPSTSBFSA-N 2 0 200.713 1.551 20 0 BDADRP C[C@@H]1CC=CC[C@H]1[NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000903850058 584808273 /nfs/dbraw/zinc/80/82/73/584808273.db2.gz JLLRSDUWLOTWDU-FRRDWIJNSA-N 2 0 236.359 1.309 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@@H]2CC[C@@]21CN ZINC000903856575 584808737 /nfs/dbraw/zinc/80/87/37/584808737.db2.gz ADONPZXHGNCRAC-QNWHQSFQSA-N 2 0 224.348 1.225 20 0 BDADRP NC[C@]12CC[C@@H]1CC[N@@H+]2CCCCCCC[NH3+] ZINC000903856642 584809204 /nfs/dbraw/zinc/80/92/04/584809204.db2.gz AWRVPLXTJXSQGR-ZIAGYGMSSA-N 3 0 239.407 1.709 20 0 BDADRP C[C@]12CSC[C@H]1C[N@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000903871537 584814980 /nfs/dbraw/zinc/81/49/80/584814980.db2.gz RMEIEHNAPPTCRO-UPJWGTAASA-N 2 0 240.416 1.671 20 0 BDADRP C[C@H]([NH3+])C1CCN(C[C@H]([NH3+])CC(F)F)CC1 ZINC000903874136 584816177 /nfs/dbraw/zinc/81/61/77/584816177.db2.gz SWCWLPMVQPYXND-WCBMZHEXSA-N 2 0 235.322 1.028 20 0 BDADRP CCC[N@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903879686 584817082 /nfs/dbraw/zinc/81/70/82/584817082.db2.gz HGRIAQSRSFBAPW-NSHDSACASA-N 2 0 237.351 1.044 20 0 BDADRP C[C@H]1CC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903885915 584819110 /nfs/dbraw/zinc/81/91/10/584819110.db2.gz LYMOUANEEFEYDR-NWDGAFQWSA-N 2 0 249.362 1.044 20 0 BDADRP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1C[C@H]2CCC[C@@H](C1)N2 ZINC000903906245 584820966 /nfs/dbraw/zinc/82/09/66/584820966.db2.gz UFEXTVQYRFNESA-LFAHVKQVSA-N 2 0 249.402 1.343 20 0 BDADRP [NH3+][C@H](CC(F)F)CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000903905421 584821006 /nfs/dbraw/zinc/82/10/06/584821006.db2.gz FHJUBHMFPYMYQU-PWSUYJOCSA-N 2 0 247.333 1.044 20 0 BDADRP CC(C)[C@H]1C[N@H+](C)CCN1C[C@H]([NH3+])CC(F)F ZINC000903903560 584821043 /nfs/dbraw/zinc/82/10/43/584821043.db2.gz VRDYRVXZDFZBCC-GHMZBOCLSA-N 2 0 249.349 1.241 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903918761 584823163 /nfs/dbraw/zinc/82/31/63/584823163.db2.gz HEUSOYQSSNRJDB-NNIHONCDSA-N 3 0 237.391 1.377 20 0 BDADRP [NH3+][C@H](CN[C@H]1CC[NH2+]C2(CCC2)C1)CC(F)F ZINC000903918849 584823309 /nfs/dbraw/zinc/82/33/09/584823309.db2.gz JFPAZCHXWZUXDQ-UWVGGRQHSA-N 2 0 247.333 1.233 20 0 BDADRP C([NH2+][C@@H]1CCCC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918866 584823368 /nfs/dbraw/zinc/82/33/68/584823368.db2.gz JMKTYPBNBRDZHX-WTUNAVPPSA-N 3 0 237.391 1.249 20 0 BDADRP [NH3+][C@H](C[NH2+]CCc1ccccn1)CC(F)F ZINC000903925230 584823890 /nfs/dbraw/zinc/82/38/90/584823890.db2.gz MPPHWWPNOJRJGR-VIFPVBQESA-N 2 0 229.274 1.196 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903930075 584824230 /nfs/dbraw/zinc/82/42/30/584824230.db2.gz RJCRKKULBYXHBC-KTCIRNNBSA-N 3 0 225.380 1.232 20 0 BDADRP COCCC[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903928504 584824256 /nfs/dbraw/zinc/82/42/56/584824256.db2.gz ZRTUNSXRJHYBHX-UHFFFAOYSA-N 2 0 234.343 1.458 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903930077 584824561 /nfs/dbraw/zinc/82/45/61/584824561.db2.gz RJCRKKULBYXHBC-XQHREUISSA-N 3 0 225.380 1.232 20 0 BDADRP C[C@H](C[NH2+]C[C@H]([NH3+])CC(F)F)c1ccccn1 ZINC000903932374 584825192 /nfs/dbraw/zinc/82/51/92/584825192.db2.gz CECQDDOUUMHTDR-NXEZZACHSA-N 2 0 243.301 1.757 20 0 BDADRP [NH3+]CCC1CCN(C[C@H]([NH3+])CC(F)F)CC1 ZINC000903932103 584825240 /nfs/dbraw/zinc/82/52/40/584825240.db2.gz MJHYTPAYDZSQNT-SNVBAGLBSA-N 2 0 235.322 1.030 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)O1 ZINC000903936032 584825705 /nfs/dbraw/zinc/82/57/05/584825705.db2.gz XHJZQUQHVCGBDN-BVMMLCNSSA-N 2 0 238.375 1.673 20 0 BDADRP CC(C)[C@H]1CN(C[C@H]([NH3+])CC(F)F)CC[N@@H+]1C ZINC000903937110 584826134 /nfs/dbraw/zinc/82/61/34/584826134.db2.gz BMQJYDUGMDYKAI-GHMZBOCLSA-N 2 0 249.349 1.241 20 0 BDADRP C([NH2+][C@@]12CCC[C@H]1[NH2+]CC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903937133 584826312 /nfs/dbraw/zinc/82/63/12/584826312.db2.gz BYAHIAWSJNVMRW-ARQSVGKCSA-N 3 0 249.402 1.391 20 0 BDADRP CCC([NH3+])(CC)C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903917070 584826764 /nfs/dbraw/zinc/82/67/64/584826764.db2.gz KJRVZLRBOZLKQG-YHWZYXNKSA-N 3 0 239.407 1.624 20 0 BDADRP C[C@@H](C[C@H]1CCC[NH2+]1)NCCC(C)(C)[NH3+] ZINC000903939960 584828928 /nfs/dbraw/zinc/82/89/28/584828928.db2.gz RMEHNQKNXBREKU-WDEREUQCSA-N 2 0 213.369 1.234 20 0 BDADRP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1CCOC1 ZINC000903956181 584832256 /nfs/dbraw/zinc/83/22/56/584832256.db2.gz ILECAQPUNWVRAE-MNOVXSKESA-N 2 0 248.317 1.247 20 0 BDADRP Cc1ccc(O)c(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000903974855 584832700 /nfs/dbraw/zinc/83/27/00/584832700.db2.gz ULABVPAUIYRDNC-ZYHUDNBSSA-N 2 0 249.358 1.431 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cocn2)C[C@H]1CC[NH3+] ZINC000903977697 584833132 /nfs/dbraw/zinc/83/31/32/584833132.db2.gz ADAQHQQDMISWIQ-NXEZZACHSA-N 2 0 209.293 1.091 20 0 BDADRP Cc1cc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)nn1C ZINC000903978407 584833147 /nfs/dbraw/zinc/83/31/47/584833147.db2.gz DPYCTQOUMWTXLK-ZYHUDNBSSA-N 2 0 236.363 1.064 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C[C@@H]1CCSC1 ZINC000903979213 584833502 /nfs/dbraw/zinc/83/35/02/584833502.db2.gz YRRNWBVYDADFEB-GRYCIOLGSA-N 2 0 228.405 1.575 20 0 BDADRP COC1(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)CCCC1 ZINC000903967064 584834690 /nfs/dbraw/zinc/83/46/90/584834690.db2.gz FZOUJRFSGHICCT-NEPJUHHUSA-N 2 0 226.364 1.391 20 0 BDADRP CC(C)(C)[NH2+]CCN1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903986641 584835535 /nfs/dbraw/zinc/83/55/35/584835535.db2.gz OJGQBKMFGNNFCQ-SNVBAGLBSA-N 2 0 213.369 1.044 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCCN(C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904299854 584860552 /nfs/dbraw/zinc/86/05/52/584860552.db2.gz PSGRBYCAENFMGN-IHRRRGAJSA-N 2 0 239.407 1.435 20 0 BDADRP C[C@H]1CCCN(Cc2ccc(C[NH3+])cc2)[C@H]1C[NH3+] ZINC000904299406 584860559 /nfs/dbraw/zinc/86/05/59/584860559.db2.gz CIIPMJBOAPRUQD-WFASDCNBSA-N 2 0 247.386 1.705 20 0 BDADRP C[NH2+][C@H]1CCCN(Cc2ccc(C[NH3+])cc2)C1 ZINC000904299948 584860566 /nfs/dbraw/zinc/86/05/66/584860566.db2.gz SGSCIYFXLXJBAY-AWEZNQCLSA-N 2 0 233.359 1.329 20 0 BDADRP C[C@]1(C[NH+]2CCC(C[NH3+])CC2)CCC[NH2+]C1 ZINC000904299826 584860745 /nfs/dbraw/zinc/86/07/45/584860745.db2.gz PGTQGYCHEKERBL-ZDUSSCGKSA-N 3 0 225.380 1.047 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCCCN1Cc1ccc(C[NH3+])cc1 ZINC000904299486 584860894 /nfs/dbraw/zinc/86/08/94/584860894.db2.gz FQGOJEYBISLBHM-SWLSCSKDSA-N 2 0 247.386 1.847 20 0 BDADRP C[C@@]1(CN2CCC[C@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000904300123 584861576 /nfs/dbraw/zinc/86/15/76/584861576.db2.gz WRJSPMVSOKSAIN-CHWSQXEVSA-N 2 0 225.380 1.047 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC000904302067 584862263 /nfs/dbraw/zinc/86/22/63/584862263.db2.gz UTIWNODWIWFPLO-BXUZGUMPSA-N 2 0 233.359 1.314 20 0 BDADRP CC[N@H+](CCC(=O)OC)C[C@@]1(C)CCC[NH2+]C1 ZINC000904313686 584863254 /nfs/dbraw/zinc/86/32/54/584863254.db2.gz XUWLIPSLTWQZPH-ZDUSSCGKSA-N 2 0 242.363 1.261 20 0 BDADRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904325190 584865375 /nfs/dbraw/zinc/86/53/75/584865375.db2.gz SECSCLOUIZQHSB-MCIONIFRSA-N 3 0 239.407 1.387 20 0 BDADRP C[C@H](O)[C@@H]1CCC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904328242 584865623 /nfs/dbraw/zinc/86/56/23/584865623.db2.gz BSFIKTOZJSTUDJ-MJBXVCDLSA-N 2 0 240.391 1.469 20 0 BDADRP C[N@H+](C[C@@H]1CCC[C@@H]1O)C[C@@]1(C)CCC[NH2+]C1 ZINC000904329506 584865894 /nfs/dbraw/zinc/86/58/94/584865894.db2.gz ZVRCOBFAWGCDIL-IHRRRGAJSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@](CO)([NH2+]C[C@H]1C[C@@H]([NH3+])C1)C1CCCCC1 ZINC000904328584 584865953 /nfs/dbraw/zinc/86/59/53/584865953.db2.gz HGPWEQIRKLAPRG-KWCYVHTRSA-N 2 0 240.391 1.645 20 0 BDADRP C[C@@]1(C[NH3+])CCN(C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904334548 584866617 /nfs/dbraw/zinc/86/66/17/584866617.db2.gz YYIXXENKXCWCBJ-STQMWFEESA-N 2 0 225.380 1.047 20 0 BDADRP C[C@]1(C[NH3+])CCN(C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904334545 584866840 /nfs/dbraw/zinc/86/68/40/584866840.db2.gz YYIXXENKXCWCBJ-CHWSQXEVSA-N 2 0 225.380 1.047 20 0 BDADRP CC(C)C[C@@]1(CO)CCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904345812 584868615 /nfs/dbraw/zinc/86/86/15/584868615.db2.gz JISQKYPCSRLYOY-HZSPNIEDSA-N 2 0 240.391 1.597 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CN[C@@H](C[NH3+])C1CC1 ZINC000904350433 584869172 /nfs/dbraw/zinc/86/91/72/584869172.db2.gz LIBBOPCIMTVQHF-NEPJUHHUSA-N 2 0 227.396 1.467 20 0 BDADRP CC[NH2+]CCNC[C@@H]([NH3+])CCC(C)(C)C ZINC000904353230 584870064 /nfs/dbraw/zinc/87/00/64/584870064.db2.gz JLYGUVZDPIDEJW-NSHDSACASA-N 2 0 215.385 1.339 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+]CCC[C@H]2CCC[NH2+]2)cc1 ZINC000904354599 584870356 /nfs/dbraw/zinc/87/03/56/584870356.db2.gz HGCFLBPQMIOFFA-HNNXBMFYSA-N 3 0 247.386 1.767 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CNC[C@@H]([NH3+])C1CC1 ZINC000904354549 584870493 /nfs/dbraw/zinc/87/04/93/584870493.db2.gz CCXVELUJWLDGOG-VXGBXAGGSA-N 2 0 227.396 1.467 20 0 BDADRP C[C@@]1(C[NH2+][C@@H]2CC23CC[NH2+]CC3)CCC[NH2+]C1 ZINC000904355410 584870909 /nfs/dbraw/zinc/87/09/09/584870909.db2.gz RGUDYMUMFXCAMB-CHWSQXEVSA-N 3 0 237.391 1.108 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000904355376 584870933 /nfs/dbraw/zinc/87/09/33/584870933.db2.gz QVOQGNXOOUOYPF-AWEZNQCLSA-N 3 0 245.370 1.377 20 0 BDADRP CC[NH2+][C@H](C)CNCc1ccc(C[NH3+])cc1 ZINC000904354957 584870938 /nfs/dbraw/zinc/87/09/38/584870938.db2.gz HULRIXWAOILPEB-LLVKDONJSA-N 2 0 221.348 1.233 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CNC1(C)CC[NH2+]CC1 ZINC000904355406 584870948 /nfs/dbraw/zinc/87/09/48/584870948.db2.gz NETGNFRAAZEDNA-LBPRGKRZSA-N 2 0 241.423 1.872 20 0 BDADRP Nc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC(C[NH3+])C1 ZINC000904356666 584871099 /nfs/dbraw/zinc/87/10/99/584871099.db2.gz XPCIFSOCOBORPX-KHXKVGHRSA-N 2 0 245.370 1.973 20 0 BDADRP C[C@]1(CNc2ccc(C[NH3+])cc2)CCC[NH2+]C1 ZINC000904355459 584871186 /nfs/dbraw/zinc/87/11/86/584871186.db2.gz NYOXNMRRYAIOML-AWEZNQCLSA-N 2 0 233.359 1.947 20 0 BDADRP [NH3+]CC1CC([NH2+]Cc2nc(C3CC3)cs2)C1 ZINC000904362215 584871990 /nfs/dbraw/zinc/87/19/90/584871990.db2.gz ISOPGLRRKRCSBS-UHFFFAOYSA-N 2 0 237.372 1.847 20 0 BDADRP C[C@@H]([NH2+]C1CC(C[NH3+])C1)c1ccccn1 ZINC000904367805 584872881 /nfs/dbraw/zinc/87/28/81/584872881.db2.gz JTLPISRWHWXPNA-KPPDAEKUSA-N 2 0 205.305 1.470 20 0 BDADRP [NH3+]CC1CC([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C1 ZINC000904369094 584872884 /nfs/dbraw/zinc/87/28/84/584872884.db2.gz XQHMTIJFQGEDBR-FQLQODGNSA-N 2 0 236.359 1.271 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)C1 ZINC000904373205 584873748 /nfs/dbraw/zinc/87/37/48/584873748.db2.gz CJFKADASNBNJCQ-FQUUOJAGSA-N 2 0 238.375 1.615 20 0 BDADRP [NH3+]CC1CC([NH2+]CC2CCC(F)CC2)C1 ZINC000904374967 584874309 /nfs/dbraw/zinc/87/43/09/584874309.db2.gz ZQSWAMBVYOCDLT-UHFFFAOYSA-N 2 0 214.328 1.842 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC[C@]1(C)CCC[NH2+]C1 ZINC000904374931 584874349 /nfs/dbraw/zinc/87/43/49/584874349.db2.gz YLVKETCQDJEUMD-SDDRHHMPSA-N 2 0 213.369 1.092 20 0 BDADRP CCC(CC)[C@@H](O)C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000904363700 584874385 /nfs/dbraw/zinc/87/43/85/584874385.db2.gz MFTCJBJRPNMNBV-KBPBESRZSA-N 2 0 242.407 1.763 20 0 BDADRP CCCC[NH+]1CCC([NH2+]C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904363823 584874388 /nfs/dbraw/zinc/87/43/88/584874388.db2.gz NVDNJCGEVKRCCG-BETUJISGSA-N 3 0 239.407 1.578 20 0 BDADRP CC(C)OCCC[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000904363673 584874433 /nfs/dbraw/zinc/87/44/33/584874433.db2.gz AZRRQAZAZPIOHN-ZDUSSCGKSA-N 2 0 228.380 1.781 20 0 BDADRP CC1(C)CN(Cc2ccc(C[NH3+])cc2)C[C@H]1[NH3+] ZINC000904389200 584875305 /nfs/dbraw/zinc/87/53/05/584875305.db2.gz TWVTYRVYEBCSCR-CYBMUJFWSA-N 2 0 233.359 1.314 20 0 BDADRP Nc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904377305 584876376 /nfs/dbraw/zinc/87/63/76/584876376.db2.gz MTQIVLQWGPBDKB-BHYNMZESSA-N 2 0 231.343 1.583 20 0 BDADRP COCC1([NH2+]C[C@H]2C[C@@H]([NH3+])C2)CCCC1 ZINC000904377393 584876419 /nfs/dbraw/zinc/87/64/19/584876419.db2.gz PTQCYGAZVHJIHN-PHIMTYICSA-N 2 0 212.337 1.273 20 0 BDADRP C[C@@H]1CC[C@H](NC[C@]2(C)CCC[NH2+]C2)C[NH2+]1 ZINC000904380815 584876920 /nfs/dbraw/zinc/87/69/20/584876920.db2.gz HMOFUHBBNGJHQQ-FRRDWIJNSA-N 2 0 225.380 1.106 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@]2(C)CCC[NH2+]C2)C[C@H]1CO ZINC000904381586 584877021 /nfs/dbraw/zinc/87/70/21/584877021.db2.gz ZERDAMOKVKWUSE-HZSPNIEDSA-N 2 0 240.391 1.326 20 0 BDADRP Nc1ccc2c(c1)OCC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904384265 584877128 /nfs/dbraw/zinc/87/71/28/584877128.db2.gz IKILFEGVGMVUQB-GSJFWJNXSA-N 2 0 247.342 1.201 20 0 BDADRP [NH3+]Cc1ccc(CN[C@@]23CCC[C@@H]2[NH2+]CC3)cc1 ZINC000904385282 584878162 /nfs/dbraw/zinc/87/81/62/584878162.db2.gz UPQBGIJYQPZWAJ-LSDHHAIUSA-N 3 0 245.370 1.520 20 0 BDADRP C[C@H]1C[N@H+](Cc2cccc(O)c2)CC[C@@H]1C[NH3+] ZINC000904410096 584878879 /nfs/dbraw/zinc/87/88/79/584878879.db2.gz AJUSPKUIMTYGGN-WCQYABFASA-N 2 0 234.343 1.809 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccn(C)c2)CC[C@@H]1C[NH3+] ZINC000904409367 584879092 /nfs/dbraw/zinc/87/90/92/584879092.db2.gz AIDYLWFCBLKEBY-DGCLKSJQSA-N 2 0 221.348 1.442 20 0 BDADRP C[C@H](NCC[N@@H+]1CCC[C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000817912793 584991400 /nfs/dbraw/zinc/99/14/00/584991400.db2.gz IONVZQXFYKGTBY-RDBSUJKOSA-N 2 0 239.407 1.591 20 0 BDADRP CCC[NH+]1CCC([N@H+](C)C[C@@H](O)C2CC2)CC1 ZINC000838864393 585076447 /nfs/dbraw/zinc/07/64/47/585076447.db2.gz SZDYPKWXFUUUAR-CQSZACIVSA-N 2 0 240.391 1.564 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)C2CC2)[C@H](C)C1 ZINC000838895418 585079181 /nfs/dbraw/zinc/07/91/81/585079181.db2.gz OHMPTSFVEULHKP-XBFCOCLRSA-N 2 0 240.391 1.419 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)C2CC2)[C@H](C)C1 ZINC000838895416 585079414 /nfs/dbraw/zinc/07/94/14/585079414.db2.gz OHMPTSFVEULHKP-KWCYVHTRSA-N 2 0 240.391 1.419 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@]12CCOC2 ZINC000886830503 585180783 /nfs/dbraw/zinc/18/07/83/585180783.db2.gz RSBXBIAZUVOMSC-AVGNSLFASA-N 2 0 224.348 1.097 20 0 BDADRP C[NH+](C)[C@@H]1CCCN(CC[NH+]2CCCC2)C1 ZINC000760826865 585398147 /nfs/dbraw/zinc/39/81/47/585398147.db2.gz GVJGKHIGZPLBMP-CYBMUJFWSA-N 2 0 225.380 1.108 20 0 BDADRP CN(CC[NH+]1CCCC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000760835390 585398686 /nfs/dbraw/zinc/39/86/86/585398686.db2.gz ZNMBHEWLBVHWCU-CQSZACIVSA-N 2 0 237.391 1.251 20 0 BDADRP CC[C@H]([NH2+]CCN1CCC[C@@H]1C)[C@H]1CCOC1 ZINC000766272012 585500173 /nfs/dbraw/zinc/50/01/73/585500173.db2.gz WYURLAKBHQILGH-IHRRRGAJSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)CN1CC[NH+]1CCCC1 ZINC000768770460 585543260 /nfs/dbraw/zinc/54/32/60/585543260.db2.gz HNIMBBVEVZZZMV-CHWSQXEVSA-N 2 0 225.380 1.107 20 0 BDADRP O[C@H](CN1CCCC1)C[N@@H+]1CCCC12CCC2 ZINC000769984064 585568498 /nfs/dbraw/zinc/56/84/98/585568498.db2.gz KFFPAUPXGHLWDL-CYBMUJFWSA-N 2 0 238.375 1.462 20 0 BDADRP C[C@@H](O)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000776522071 585700109 /nfs/dbraw/zinc/70/01/09/585700109.db2.gz ZEVSIWMVDVCCJG-GFCCVEGCSA-N 2 0 236.359 1.561 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)CCO ZINC000779337602 585751561 /nfs/dbraw/zinc/75/15/61/585751561.db2.gz AEOXVEWNKMMYDM-CHWSQXEVSA-N 2 0 230.396 1.857 20 0 BDADRP C[C@H](CCO)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000779349229 585752349 /nfs/dbraw/zinc/75/23/49/585752349.db2.gz XIANDQJVKBADDR-VXGBXAGGSA-N 2 0 230.396 1.713 20 0 BDADRP C[C@H]1CN(CCC[NH+]2CCCCC2)CC[N@@H+]1C ZINC000781904153 585805222 /nfs/dbraw/zinc/80/52/22/585805222.db2.gz NKFGVGXLLAVBFG-AWEZNQCLSA-N 2 0 239.407 1.498 20 0 BDADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CC[C@@H]2C)CC1 ZINC000783223970 585831128 /nfs/dbraw/zinc/83/11/28/585831128.db2.gz ORIGQXMQQLHLMB-KBPBESRZSA-N 2 0 239.407 1.402 20 0 BDADRP C[N@H+]1C[C@H]2CN(C[C@H]3CC3(Cl)Cl)C[C@H]2C1 ZINC000785935620 585884178 /nfs/dbraw/zinc/88/41/78/585884178.db2.gz JEOZHJHGFKIIID-KXUCPTDWSA-N 2 0 249.185 1.674 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H](C)COC(C)=O)CC1 ZINC000798180080 586138668 /nfs/dbraw/zinc/13/86/68/586138668.db2.gz YMVSENXIJXMDLW-NSHDSACASA-N 2 0 242.363 1.402 20 0 BDADRP CC(=O)OC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000798181764 586138795 /nfs/dbraw/zinc/13/87/95/586138795.db2.gz YHTWJCAQFJBMBJ-PWSUYJOCSA-N 2 0 240.347 1.012 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000817888754 586831845 /nfs/dbraw/zinc/83/18/45/586831845.db2.gz KCSRDXFTTFHNJD-OUJBWJOFSA-N 2 0 240.322 1.575 20 0 BDADRP [NH3+]CCCCCCC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000817880257 586832185 /nfs/dbraw/zinc/83/21/85/586832185.db2.gz OFYCHVUDORVWOY-UHFFFAOYSA-N 3 0 239.407 1.724 20 0 BDADRP CCc1cc(C[NH2+][C@H](C)CCCC[NH3+])[nH]n1 ZINC000817891546 586832895 /nfs/dbraw/zinc/83/28/95/586832895.db2.gz CQPRAPLQLKONOP-SNVBAGLBSA-N 2 0 224.352 1.579 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1COc2ccccc2C1 ZINC000817892647 586832962 /nfs/dbraw/zinc/83/29/62/586832962.db2.gz VWFSFBNPLMNDDX-XQQFMLRXSA-N 2 0 248.370 1.953 20 0 BDADRP Cc1ncc2c(n1)CCC[C@@H]2[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000817894762 586833857 /nfs/dbraw/zinc/83/38/57/586833857.db2.gz OARNFQDCTHIGMK-NRUUGDAUSA-N 2 0 248.374 1.878 20 0 BDADRP CSC(C)(C)C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000817898219 586835440 /nfs/dbraw/zinc/83/54/40/586835440.db2.gz CIRWURWZUWGVEW-IUCAKERBSA-N 2 0 202.367 1.597 20 0 BDADRP C[C@H]([NH2+]CCNc1ccccc1)C1C[NH2+]C1 ZINC000817900369 586835625 /nfs/dbraw/zinc/83/56/25/586835625.db2.gz MMBLODBJQSDZSZ-NSHDSACASA-N 2 0 219.332 1.296 20 0 BDADRP CSC(C)(C)C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000817901232 586835718 /nfs/dbraw/zinc/83/57/18/586835718.db2.gz VUVOMOJGESVGBB-GARJFASQSA-N 2 0 246.420 1.470 20 0 BDADRP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000817904551 586837506 /nfs/dbraw/zinc/83/75/06/586837506.db2.gz CQXKHLJDBZJSDD-UNQGMJICSA-N 2 0 248.370 1.968 20 0 BDADRP C[C@@H]1CCC[N@@H+]1CCN[C@H]1CCC[C@H]1C[NH3+] ZINC000817911424 586837985 /nfs/dbraw/zinc/83/79/85/586837985.db2.gz AHFBMIXKWBTMEG-AGIUHOORSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@H](NCC[N@@H+]1CCC[C@@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000817912792 586838021 /nfs/dbraw/zinc/83/80/21/586838021.db2.gz IONVZQXFYKGTBY-MJBXVCDLSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@](O)(CC[NH2+][C@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000817924783 586841427 /nfs/dbraw/zinc/84/14/27/586841427.db2.gz YDHMWAWKYOFPAI-ILXRZTDVSA-N 2 0 248.370 1.754 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000817961815 586852310 /nfs/dbraw/zinc/85/23/10/586852310.db2.gz CWEUICVUZDGGAY-IUCAKERBSA-N 2 0 227.739 1.980 20 0 BDADRP C[C@@H](CSC(C)(C)C)[NH2+]CC1C[NH2+]C1 ZINC000817965221 586853932 /nfs/dbraw/zinc/85/39/32/586853932.db2.gz NYGQAEQHVWNJKE-VIFPVBQESA-N 2 0 216.394 1.716 20 0 BDADRP CC[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc2c(c1)CCO2 ZINC000817964680 586854341 /nfs/dbraw/zinc/85/43/41/586854341.db2.gz DHCZBAWNKZUGEQ-CQSZACIVSA-N 2 0 246.354 1.882 20 0 BDADRP C[NH+](C)CC[C@H]([NH2+]C[C@H](O)C1CC1)C(C)(C)C ZINC000819083222 586929499 /nfs/dbraw/zinc/92/94/99/586929499.db2.gz YDVCYNMJHGNFTR-STQMWFEESA-N 2 0 242.407 1.713 20 0 BDADRP C[C@@H](O)C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000820803371 587073053 /nfs/dbraw/zinc/07/30/53/587073053.db2.gz OBIUWAFBAOGTAC-NEPJUHHUSA-N 2 0 236.359 1.780 20 0 BDADRP CO[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000821401977 587117296 /nfs/dbraw/zinc/11/72/96/587117296.db2.gz JXJHIECFRBYICY-RWMBFGLXSA-N 2 0 226.364 1.437 20 0 BDADRP CC(C)CC(=O)CCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000827802272 587401559 /nfs/dbraw/zinc/40/15/59/587401559.db2.gz FEJVGOJVNYJRQB-TXEJJXNPSA-N 2 0 224.348 1.143 20 0 BDADRP CCC[C@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000830028102 587532458 /nfs/dbraw/zinc/53/24/58/587532458.db2.gz DZMQGRGYRWLYAV-KBPBESRZSA-N 2 0 240.391 1.565 20 0 BDADRP CC[C@@H]1C[N@H+](CC)CCN1CC[NH+]1CCCC1 ZINC000831964692 587639867 /nfs/dbraw/zinc/63/98/67/587639867.db2.gz FQUZHTAUHHBUIO-CQSZACIVSA-N 2 0 239.407 1.498 20 0 BDADRP [NH3+]Cc1cccc(NC(=O)C[C@@H]([NH3+])C2CC2)c1 ZINC000832223800 587651720 /nfs/dbraw/zinc/65/17/20/587651720.db2.gz WDWNIBAUYQZTPW-GFCCVEGCSA-N 2 0 233.315 1.211 20 0 BDADRP [NH3+]CCCCCCC(=O)NCC1CC[NH2+]CC1 ZINC000832363650 587656464 /nfs/dbraw/zinc/65/64/64/587656464.db2.gz WJTVDHXNRSAWHC-UHFFFAOYSA-N 2 0 241.379 1.011 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](N(C)CC[NH+]2CCCC2)C1 ZINC000832778611 587688550 /nfs/dbraw/zinc/68/85/50/587688550.db2.gz MPAVKSVIGXVGHM-AWEZNQCLSA-N 2 0 239.407 1.497 20 0 BDADRP CCCCCC[N@H+](C)CC(=O)N(C)CCC[NH3+] ZINC000832782254 587689044 /nfs/dbraw/zinc/68/90/44/587689044.db2.gz WRKUQFKAYMCQLO-UHFFFAOYSA-N 2 0 243.395 1.306 20 0 BDADRP CC[N@H+](CCC[NH3+])C[C@@H](O)c1ccc(C)cc1 ZINC000841010676 587934575 /nfs/dbraw/zinc/93/45/75/587934575.db2.gz ZGRDYGRSPYKVFP-CQSZACIVSA-N 2 0 236.359 1.699 20 0 BDADRP [NH3+]CCC[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000841004975 587934836 /nfs/dbraw/zinc/93/48/36/587934836.db2.gz VAEYQYGSMALEQP-HNNXBMFYSA-N 2 0 248.370 1.781 20 0 BDADRP C[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841031919 587936890 /nfs/dbraw/zinc/93/68/90/587936890.db2.gz BOSHSYOXLMZGJE-RISCZKNCSA-N 2 0 234.343 1.455 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCCOC1 ZINC000841075742 587943674 /nfs/dbraw/zinc/94/36/74/587943674.db2.gz MRRQTSAFQDXSRH-SZQBSXBZSA-N 2 0 224.348 1.271 20 0 BDADRP Cc1nn(C)c(Cl)c1C[NH2+][C@@H](C)CCC[NH3+] ZINC000841080034 587945154 /nfs/dbraw/zinc/94/51/54/587945154.db2.gz NCXHFSQSGBHSGW-QMMMGPOBSA-N 2 0 244.770 1.599 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCCC1CCOCC1 ZINC000841085444 587945493 /nfs/dbraw/zinc/94/54/93/587945493.db2.gz CLOZOBNDBVYXRN-ZDUSSCGKSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]([NH3+])CC(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000841848947 587977986 /nfs/dbraw/zinc/97/79/86/587977986.db2.gz WKBFKRHKTLNVKL-SNVBAGLBSA-N 2 0 247.342 1.162 20 0 BDADRP C[NH+]1CCC2(CCC[N@H+](CC(C)(C)[NH3+])C2)CC1 ZINC000843119403 588082515 /nfs/dbraw/zinc/08/25/15/588082515.db2.gz NBVWLVWXUPIQMO-UHFFFAOYSA-N 3 0 239.407 1.532 20 0 BDADRP C([NH2+][C@H]1CC[NH2+]C12CCCC2)[C@@H]1CCCOC1 ZINC000843128360 588085239 /nfs/dbraw/zinc/08/52/39/588085239.db2.gz KHNQHIIWBXQQQS-STQMWFEESA-N 2 0 238.375 1.677 20 0 BDADRP [NH3+]CCCCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000843340774 588101145 /nfs/dbraw/zinc/10/11/45/588101145.db2.gz DZZXIYXCGGLFDV-KGLIPLIRSA-N 3 0 239.407 1.722 20 0 BDADRP CC[C@@H]([NH2+]CCCCCC[NH3+])c1cnn(C)c1 ZINC000843340285 588101237 /nfs/dbraw/zinc/10/12/37/588101237.db2.gz AAYJPLVLTZQBCS-CYBMUJFWSA-N 2 0 238.379 1.980 20 0 BDADRP [NH3+]CCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000843343897 588101575 /nfs/dbraw/zinc/10/15/75/588101575.db2.gz KJPJFBUTLMLCDC-FUNVUKJBSA-N 3 0 225.380 1.378 20 0 BDADRP C[N@H+](CCCCCCC[NH3+])C1CC[NH2+]CC1 ZINC000843345663 588101878 /nfs/dbraw/zinc/10/18/78/588101878.db2.gz CNWUDORXESMANM-UHFFFAOYSA-N 3 0 227.396 1.579 20 0 BDADRP C[C@H](CN)[N@H+](C)CCCCCCC[NH3+] ZINC000843350034 588102383 /nfs/dbraw/zinc/10/23/83/588102383.db2.gz DUUAMIWLFRRVBO-LLVKDONJSA-N 2 0 201.358 1.175 20 0 BDADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)C1CCC([NH3+])CC1 ZINC000843354925 588102891 /nfs/dbraw/zinc/10/28/91/588102891.db2.gz LWVDDEQGOYPXEZ-HIFPTAJRSA-N 3 0 225.380 1.188 20 0 BDADRP C[N@H+](Cc1ccnc(N)c1)C1CCC([NH3+])CC1 ZINC000843354547 588103102 /nfs/dbraw/zinc/10/31/02/588103102.db2.gz BLGOJHUEELZVHN-UHFFFAOYSA-N 2 0 234.347 1.366 20 0 BDADRP C[C@](CN)([NH2+]CCCCCCC[NH3+])C1CC1 ZINC000843355833 588103406 /nfs/dbraw/zinc/10/34/06/588103406.db2.gz KFDMVYBYPNRCDE-CYBMUJFWSA-N 2 0 227.396 1.613 20 0 BDADRP [NH3+]CCCCCCNC(=O)c1ccc(C[NH3+])cc1 ZINC000843505790 588117305 /nfs/dbraw/zinc/11/73/05/588117305.db2.gz NEUVMKKMELVDSD-UHFFFAOYSA-N 2 0 249.358 1.394 20 0 BDADRP [NH3+]CCCCCCNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000843506219 588117377 /nfs/dbraw/zinc/11/73/77/588117377.db2.gz QLWIRRGXJNNLEJ-CYBMUJFWSA-N 2 0 249.358 1.322 20 0 BDADRP CC[N@H+](CCNC(=O)CCC(C)(C)[NH3+])C(C)C ZINC000844180267 588172314 /nfs/dbraw/zinc/17/23/14/588172314.db2.gz OCXHILLITLWUPU-UHFFFAOYSA-N 2 0 243.395 1.350 20 0 BDADRP C[N@H+](CCCCCCC[NH3+])Cc1cc[nH]n1 ZINC000844221796 588174450 /nfs/dbraw/zinc/17/44/50/588174450.db2.gz KVJNCJCIYMIAJY-UHFFFAOYSA-N 2 0 224.352 1.751 20 0 BDADRP C[NH2+]C[C@@H]1C[C@H](F)CN1CCCCCC[NH3+] ZINC000846221401 588261217 /nfs/dbraw/zinc/26/12/17/588261217.db2.gz YSKZJSAUVJJKIG-RYUDHWBXSA-N 2 0 231.359 1.137 20 0 BDADRP CC(C)(C)[C@@H](CN)[NH2+]CCCCCC[NH3+] ZINC000846221138 588261317 /nfs/dbraw/zinc/26/13/17/588261317.db2.gz SXWYVLWIIKEKJB-LLVKDONJSA-N 2 0 215.385 1.469 20 0 BDADRP [NH3+]CCCCCCN1CC[C@]2(CCC[NH2+]2)C1 ZINC000846222154 588261434 /nfs/dbraw/zinc/26/14/34/588261434.db2.gz AVZLVOPSMCESFP-CYBMUJFWSA-N 2 0 225.380 1.333 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCNc2ccccc2)C1 ZINC000848718599 588408626 /nfs/dbraw/zinc/40/86/26/588408626.db2.gz NRYUAXMVCVVCCH-TZMCWYRMSA-N 2 0 233.359 1.958 20 0 BDADRP [NH2+]=C(NCCC[NH+]1CCCCCC1)N1CCC1 ZINC000848981542 588423809 /nfs/dbraw/zinc/42/38/09/588423809.db2.gz PYSSETXLPVXNFW-UHFFFAOYSA-N 2 0 238.379 1.483 20 0 BDADRP CCC(CC)[C@H](CNC1=[NH+]C[C@H](C)N1)[NH+](C)C ZINC000848984264 588425017 /nfs/dbraw/zinc/42/50/17/588425017.db2.gz FSUJJZCDWLZILZ-JQWIXIFHSA-N 2 0 240.395 1.290 20 0 BDADRP CC[C@@H](C)NC(=[NH2+])NC[C@@H](CC)[NH+]1CCCC1 ZINC000848986462 588425636 /nfs/dbraw/zinc/42/56/36/588425636.db2.gz URXOTZNPAJVYFK-VXGBXAGGSA-N 2 0 240.395 1.773 20 0 BDADRP CCNC(=[NH2+])NC[C@H](C1CCCCC1)[NH+](C)C ZINC000848986830 588425721 /nfs/dbraw/zinc/42/57/21/588425721.db2.gz GPKVPRJROXNONN-GFCCVEGCSA-N 2 0 240.395 1.631 20 0 BDADRP C[C@H](CNC(=[NH2+])NC1CCC1)[NH+]1CCCC1 ZINC000848986684 588425822 /nfs/dbraw/zinc/42/58/22/588425822.db2.gz UJLQBDIRLPPHPP-SNVBAGLBSA-N 2 0 224.352 1.137 20 0 BDADRP CCNC(=[NH2+])NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000848987276 588426209 /nfs/dbraw/zinc/42/62/09/588426209.db2.gz WXOMLJACCBEQHJ-MNOVXSKESA-N 2 0 226.368 1.383 20 0 BDADRP CC[C@H](C)NC(=[NH2+])NCCC[N@H+](C)C(C)C ZINC000848987555 588426514 /nfs/dbraw/zinc/42/65/14/588426514.db2.gz GKKNHGXDCNXETH-NSHDSACASA-N 2 0 228.384 1.629 20 0 BDADRP CC[C@@H](C)NC(=[NH2+])NCC[N@H+](CC)C1CC1 ZINC000848999202 588429970 /nfs/dbraw/zinc/42/99/70/588429970.db2.gz CGEWSZZEWBPISC-SNVBAGLBSA-N 2 0 226.368 1.383 20 0 BDADRP CCCC[N@H+](C)CCNC(=[NH2+])N1CCCCC1 ZINC000849005819 588432607 /nfs/dbraw/zinc/43/26/07/588432607.db2.gz UHWQQADCSDRKCQ-UHFFFAOYSA-N 2 0 240.395 1.729 20 0 BDADRP CCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H](C)CC ZINC000849028044 588441316 /nfs/dbraw/zinc/44/13/16/588441316.db2.gz YYLJZIIASKMSLO-NEPJUHHUSA-N 2 0 240.395 1.773 20 0 BDADRP C[C@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)C[NH+](C)C ZINC000849030000 588442381 /nfs/dbraw/zinc/44/23/81/588442381.db2.gz CFROLKQEWHFILO-VXGBXAGGSA-N 2 0 240.395 1.440 20 0 BDADRP CC(C)CNC(=[NH2+])NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000849048384 588451113 /nfs/dbraw/zinc/45/11/13/588451113.db2.gz CCSKHIWFANUQMV-PHIMTYICSA-N 2 0 226.368 1.097 20 0 BDADRP CC(C)(C)[NH2+]CCCNC1=[NH+]CCCCN1 ZINC000849215581 588462433 /nfs/dbraw/zinc/46/24/33/588462433.db2.gz ROUKPPVOXORLRN-UHFFFAOYSA-N 2 0 226.368 1.094 20 0 BDADRP C[C@@H]1CCCN1CC[NH2+][C@@H]1COC2(CCC2)C1 ZINC000850439286 588546375 /nfs/dbraw/zinc/54/63/75/588546375.db2.gz MNLJKPPSVPXTQQ-OLZOCXBDSA-N 2 0 238.375 1.772 20 0 BDADRP C[C@H]1CCCN1CC[NH2+][C@@H]1COC2(CCC2)C1 ZINC000850439289 588546511 /nfs/dbraw/zinc/54/65/11/588546511.db2.gz MNLJKPPSVPXTQQ-STQMWFEESA-N 2 0 238.375 1.772 20 0 BDADRP CCCN(C)CC(C)(C)[NH2+]CCCNC(C)=O ZINC000852715813 588697763 /nfs/dbraw/zinc/69/77/63/588697763.db2.gz ZHFJUUKPJZTJGF-UHFFFAOYSA-N 2 0 243.395 1.223 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CCc2nccnc2C1 ZINC000852760467 588700603 /nfs/dbraw/zinc/70/06/03/588700603.db2.gz GFTKREPNUHENQO-UHFFFAOYSA-N 2 0 234.347 1.354 20 0 BDADRP [NH3+]CCCCCCC[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000852755754 588700740 /nfs/dbraw/zinc/70/07/40/588700740.db2.gz DFBDXDUZHKKWNL-UHFFFAOYSA-N 3 0 225.380 1.319 20 0 BDADRP CN(CCCCCC[NH3+])[C@H](C[NH3+])C(F)(F)F ZINC000852761197 588700822 /nfs/dbraw/zinc/70/08/22/588700822.db2.gz IHDUPXZYLYHHAE-SECBINFHSA-N 2 0 241.301 1.327 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC12CCOCC2 ZINC000863543709 589297180 /nfs/dbraw/zinc/29/71/80/589297180.db2.gz WGNFDLVQZALAOL-YNEHKIRRSA-N 2 0 238.375 1.676 20 0 BDADRP C[C@H]([NH3+])CN(C)CCO[C@@H]1CCCC[C@H]1C ZINC000863568191 589299808 /nfs/dbraw/zinc/29/98/08/589299808.db2.gz IKGUNWDHMVTCLC-FRRDWIJNSA-N 2 0 228.380 1.861 20 0 BDADRP [NH3+]CCCOCC[NH2+]Cc1cc(Cl)cs1 ZINC000863649685 589306782 /nfs/dbraw/zinc/30/67/82/589306782.db2.gz GNLWOYWOAVILNZ-UHFFFAOYSA-N 2 0 248.779 1.857 20 0 BDADRP Cc1ccc(CCCN(C)C[C@H](C)[NH3+])cn1 ZINC000863651411 589307255 /nfs/dbraw/zinc/30/72/55/589307255.db2.gz HQXSREVDHGHYFD-NSHDSACASA-N 2 0 221.348 1.602 20 0 BDADRP CN1CC[NH+](CCCC[NH2+]C2CCCC2)CC1 ZINC000119641209 589321520 /nfs/dbraw/zinc/32/15/20/589321520.db2.gz NKPPRTGBNIIRBT-UHFFFAOYSA-N 2 0 239.407 1.546 20 0 BDADRP C[C@@H]1C[C@H]1NC(=[NH2+])NCC[N@@H+]1CCCC[C@H]1C ZINC000864451712 589365209 /nfs/dbraw/zinc/36/52/09/589365209.db2.gz DVJDWQLAWKBXGC-IJLUTSLNSA-N 2 0 238.379 1.383 20 0 BDADRP CC[NH+](CC)[C@H](C)CNC(=[NH2+])N[C@H]1C[C@H]1C ZINC000864453252 589365496 /nfs/dbraw/zinc/36/54/96/589365496.db2.gz LVCJYNYZUNNFDC-MXWKQRLJSA-N 2 0 226.368 1.239 20 0 BDADRP CCC(CC)NC(=[NH2+])NCC1([NH+](C)C)CCC1 ZINC000864463835 589369902 /nfs/dbraw/zinc/36/99/02/589369902.db2.gz LHVNUQFYNNIUSV-UHFFFAOYSA-N 2 0 240.395 1.773 20 0 BDADRP C[N@@H+]1CC[C@@H]2CN(c3cc[nH+]c(CO)c3)CC[C@@H]21 ZINC000866208966 589480519 /nfs/dbraw/zinc/48/05/19/589480519.db2.gz MCFQAXQLYLPDSV-RISCZKNCSA-N 2 0 247.342 1.104 20 0 BDADRP C[NH+](C)CCC[NH2+][C@H](C1CCC1)[C@@H]1CCCO1 ZINC000866214542 589481008 /nfs/dbraw/zinc/48/10/08/589481008.db2.gz PMZYARQPUHOXRT-UONOGXRCSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@](C[NH3+])([NH2+]C[C@@H]1CCC(C)(C)CO1)C1CC1 ZINC000866661392 589508982 /nfs/dbraw/zinc/50/89/82/589508982.db2.gz OPOFHXXTVJGYDS-JSGCOSHPSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@H]1C[N@H+](CCCCCC[NH3+])C[C@H]1C[NH3+] ZINC000866671942 589511039 /nfs/dbraw/zinc/51/10/39/589511039.db2.gz DDHBRFPIGHWRQX-NWDGAFQWSA-N 3 0 213.369 1.032 20 0 BDADRP CC1(C)C[C@H](O)C[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000866703974 589513685 /nfs/dbraw/zinc/51/36/85/589513685.db2.gz QTFBXOCBCRLYOE-RYUDHWBXSA-N 2 0 226.364 1.079 20 0 BDADRP C[N@@H+]1CC[C@@H]2CN(C[C@@H]3CCC[NH2+]C3)CC[C@H]21 ZINC000866704831 589514734 /nfs/dbraw/zinc/51/47/34/589514734.db2.gz YDWNLQJVDPRDTA-MGPQQGTHSA-N 2 0 237.391 1.012 20 0 BDADRP [NH3+]CCCCCCCN1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866724409 589515567 /nfs/dbraw/zinc/51/55/67/589515567.db2.gz KDAIEIWTHTWMMU-ZIAGYGMSSA-N 2 0 239.407 1.722 20 0 BDADRP C[C@H]1C[C@H](C[NH3+])CN1Cc1ccc(Cl)nc1 ZINC000122333483 589581856 /nfs/dbraw/zinc/58/18/56/589581856.db2.gz ZQHXBWSCVCDKFW-GXSJLCMTSA-N 2 0 239.750 1.904 20 0 BDADRP C[C@H]([NH3+])c1ccc(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000870964467 589702115 /nfs/dbraw/zinc/70/21/15/589702115.db2.gz FNZAACWRDWLAAC-OUJBWJOFSA-N 2 0 247.342 1.173 20 0 BDADRP C[C@H](C[NH3+])c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871796891 589819672 /nfs/dbraw/zinc/81/96/72/589819672.db2.gz QKUNZWKJAVOESA-GQDPBHBBSA-N 2 0 236.319 1.130 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2C[C@H](O)C2)[C@H](C)C1 ZINC000872125737 589875513 /nfs/dbraw/zinc/87/55/13/589875513.db2.gz CKMKAZWPJCMZFG-LPWJVIDDSA-N 2 0 226.364 1.077 20 0 BDADRP C([C@H]1CC2(CCC2)CO1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000872144160 589882935 /nfs/dbraw/zinc/88/29/35/589882935.db2.gz WFKGWLMWLVDBHF-FRRDWIJNSA-N 2 0 236.359 1.097 20 0 BDADRP C[C@@H]1C[C@@H](N[C@@H]2CC[NH2+]CC(C)(C)C2)CC[NH2+]1 ZINC000872253847 589901390 /nfs/dbraw/zinc/90/13/90/589901390.db2.gz KVJDYYAVXXMNLL-FRRDWIJNSA-N 2 0 239.407 1.495 20 0 BDADRP C[NH+]1CCC(Nc2cc[nH+]cc2C2CC2)CC1 ZINC000872395512 589932579 /nfs/dbraw/zinc/93/25/79/589932579.db2.gz PYOJKEWJNAQMAG-UHFFFAOYSA-N 2 0 231.343 1.887 20 0 BDADRP CC[C@H]1COCCN1CCNc1cccc(C)n1 ZINC000872772634 589967627 /nfs/dbraw/zinc/96/76/27/589967627.db2.gz XHXWKMRIBBPDQC-ZDUSSCGKSA-N 2 0 249.358 1.913 20 0 BDADRP CC(C)[C@H](C[NH3+])C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000873210402 589995401 /nfs/dbraw/zinc/99/54/01/589995401.db2.gz FDZCYRNWVCAMER-CYBMUJFWSA-N 3 0 239.407 1.293 20 0 BDADRP CC(C)[C@H](C[NH3+])C[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000873210492 589995573 /nfs/dbraw/zinc/99/55/73/589995573.db2.gz HWRMLPQSROGTDE-OAHLLOKOSA-N 3 0 249.402 1.508 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2C[C@@H](O)CC(C)(C)C2)CC[NH2+]1 ZINC000873221794 589999796 /nfs/dbraw/zinc/99/97/96/589999796.db2.gz QHHWARBPAOLLGI-AGIUHOORSA-N 2 0 240.391 1.467 20 0 BDADRP Cc1ccc(O)c(C[NH2+][C@@H](C)C2CC[NH2+]CC2)n1 ZINC000873222290 589999916 /nfs/dbraw/zinc/99/99/16/589999916.db2.gz KVHROZXIWIUNIQ-NSHDSACASA-N 2 0 249.358 1.573 20 0 BDADRP CC(C)([NH3+])CN1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000873223248 590000150 /nfs/dbraw/zinc/00/01/50/590000150.db2.gz JQYYDLUVCDTUHE-ZDUSSCGKSA-N 2 0 227.396 1.421 20 0 BDADRP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873252454 590006032 /nfs/dbraw/zinc/00/60/32/590006032.db2.gz RXHCFJXCWMIEFN-UJNFCWOMSA-N 2 0 208.309 1.106 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccnc(F)c1 ZINC000873240876 590006105 /nfs/dbraw/zinc/00/61/05/590006105.db2.gz CMMZSQSUQJPHNE-NSHDSACASA-N 2 0 241.310 1.064 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cncs1 ZINC000873254626 590007008 /nfs/dbraw/zinc/00/70/08/590007008.db2.gz YNWUECRYUIBIHH-XHNCKOQMSA-N 2 0 211.334 1.531 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC12CCOCC2 ZINC000873248925 590007315 /nfs/dbraw/zinc/00/73/15/590007315.db2.gz IZLONJLHCXCBRL-JHJVBQTASA-N 2 0 238.375 1.663 20 0 BDADRP Cc1ncc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)s1 ZINC000873250284 590007523 /nfs/dbraw/zinc/00/75/23/590007523.db2.gz GIXOJTVJPNHNBQ-QNSHHTMESA-N 2 0 225.361 1.839 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000873249810 590007651 /nfs/dbraw/zinc/00/76/51/590007651.db2.gz OWSPHXSHKKYWSO-FEPKRQSRSA-N 3 0 241.423 1.965 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CCC23CCOCC3)C1 ZINC000873250886 590008577 /nfs/dbraw/zinc/00/85/77/590008577.db2.gz RJIBZQAXOFXWSN-TUAOUCFPSA-N 2 0 224.348 1.273 20 0 BDADRP CC1(C)[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)[C@@H]2CCCO[C@H]21 ZINC000873255103 590010458 /nfs/dbraw/zinc/01/04/58/590010458.db2.gz DDNZGMSXNNXQKH-JZRPKSSGSA-N 2 0 238.375 1.517 20 0 BDADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000873256255 590010781 /nfs/dbraw/zinc/01/07/81/590010781.db2.gz NEVDETIFTZAXLQ-MHWZDGSBSA-N 3 0 231.343 1.458 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cc2n(n1)CCC2 ZINC000873255879 590010943 /nfs/dbraw/zinc/01/09/43/590010943.db2.gz JPZCNWQIGUPONG-GMTAPVOTSA-N 2 0 234.347 1.217 20 0 BDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873256209 590011051 /nfs/dbraw/zinc/01/10/51/590011051.db2.gz MUIPFVIDHVNCOQ-AAVRWANBSA-N 3 0 239.407 1.624 20 0 BDADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873256532 590011527 /nfs/dbraw/zinc/01/15/27/590011527.db2.gz OWJYJVBLFQCJDR-YUSALJHKSA-N 3 0 248.374 1.237 20 0 BDADRP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)o1 ZINC000873256992 590011629 /nfs/dbraw/zinc/01/16/29/590011629.db2.gz CLCJCWJQWAMKMI-DCAQKATOSA-N 2 0 208.305 1.976 20 0 BDADRP Cc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)o1 ZINC000873256993 590011710 /nfs/dbraw/zinc/01/17/10/590011710.db2.gz CLCJCWJQWAMKMI-GMTAPVOTSA-N 2 0 208.305 1.976 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc2c(c1)OCO2 ZINC000873258923 590013160 /nfs/dbraw/zinc/01/31/60/590013160.db2.gz WDHQOTGIHFINAU-CKYFFXLPSA-N 2 0 248.326 1.803 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873262368 590014074 /nfs/dbraw/zinc/01/40/74/590014074.db2.gz XYECGLCFENOOLF-YIYPIFLZSA-N 3 0 239.407 1.624 20 0 BDADRP c1cn2c(n1)[C@@H]([NH2+]C[C@H]1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000873262256 590014410 /nfs/dbraw/zinc/01/44/10/590014410.db2.gz WOEWXRWYPGLNQS-RNJOBUHISA-N 2 0 246.358 1.448 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873261764 590014418 /nfs/dbraw/zinc/01/44/18/590014418.db2.gz RJCRKKULBYXHBC-RXGFPQBGSA-N 3 0 225.380 1.232 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000873265367 590014703 /nfs/dbraw/zinc/01/47/03/590014703.db2.gz VGXNJEQFJAGSBK-XGFWRYKXSA-N 2 0 238.375 1.674 20 0 BDADRP CC[C@H]([NH2+][C@H](C)C1CC[NH2+]CC1)[C@H]1CCOC1 ZINC000873268186 590015259 /nfs/dbraw/zinc/01/52/59/590015259.db2.gz TWAFJNZPEYVLHE-XBFCOCLRSA-N 2 0 240.391 1.779 20 0 BDADRP Cc1nccnc1[C@@H](C)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873268617 590015456 /nfs/dbraw/zinc/01/54/56/590015456.db2.gz FVDZGDZHSUEWPZ-ZYHUDNBSSA-N 2 0 248.374 1.824 20 0 BDADRP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000873269591 590015698 /nfs/dbraw/zinc/01/56/98/590015698.db2.gz IFYDKCZDRMXBAK-WZRBSPASSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCCCC[C@H]1[NH3+])C1CC[NH2+]CC1 ZINC000873270677 590016067 /nfs/dbraw/zinc/01/60/67/590016067.db2.gz ZVTDNEHBOZBISJ-MRVWCRGKSA-N 3 0 239.407 1.624 20 0 BDADRP C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)[C@H]1CCC[NH2+]1 ZINC000873271454 590016295 /nfs/dbraw/zinc/01/62/95/590016295.db2.gz IFYDKCZDRMXBAK-GMXVVIOVSA-N 3 0 225.380 1.105 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)c1ccnn1C ZINC000873275903 590017890 /nfs/dbraw/zinc/01/78/90/590017890.db2.gz OTVXXKRQNHMTON-GUBZILKMSA-N 2 0 210.325 1.197 20 0 BDADRP C([NH2+]C1CCCC1)[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873288925 590022532 /nfs/dbraw/zinc/02/25/32/590022532.db2.gz CPFGGZNSIHHJNV-CYBMUJFWSA-N 2 0 238.375 1.677 20 0 BDADRP C[C@H](C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)[NH+](C)C ZINC000877139642 590291794 /nfs/dbraw/zinc/29/17/94/590291794.db2.gz VAXLAVVOPCUXDH-JIMOISOXSA-N 2 0 247.342 1.390 20 0 BDADRP CN(CCCCCC[NH3+])C(=O)CCC(C)(C)[NH3+] ZINC000877445537 590328696 /nfs/dbraw/zinc/32/86/96/590328696.db2.gz UFMUKHCXCGUYKI-UHFFFAOYSA-N 2 0 243.395 1.481 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1)C1CC1 ZINC000877741379 590408416 /nfs/dbraw/zinc/40/84/16/590408416.db2.gz VLNLIRDDHFYOLF-BFHYXJOUSA-N 2 0 238.375 1.437 20 0 BDADRP CCC[C@H](C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1)OC ZINC000877742895 590409567 /nfs/dbraw/zinc/40/95/67/590409567.db2.gz SCKPSIMGAVWZIX-MJBXVCDLSA-N 2 0 240.391 1.828 20 0 BDADRP FC1(F)CCC[C@@H]1CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000877982348 590465201 /nfs/dbraw/zinc/46/52/01/590465201.db2.gz QCFQVYFBUPTQLS-GRYCIOLGSA-N 2 0 244.329 1.963 20 0 BDADRP CC(C)[C@@H](O)CC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000878645048 590600143 /nfs/dbraw/zinc/60/01/43/590600143.db2.gz GTMRZYAAMJUQSN-KBPBESRZSA-N 2 0 240.391 1.421 20 0 BDADRP CC(C)[C@H](O)CC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000878645051 590600462 /nfs/dbraw/zinc/60/04/62/590600462.db2.gz GTMRZYAAMJUQSN-ZIAGYGMSSA-N 2 0 240.391 1.421 20 0 BDADRP COC(C[N@@H+]1CCC2(C1)CC[NH+](C)CC2)OC ZINC000878867878 590636631 /nfs/dbraw/zinc/63/66/31/590636631.db2.gz XXJRAZBMSNCSEE-UHFFFAOYSA-N 2 0 242.363 1.023 20 0 BDADRP CO[C@@H]1CC[C@H](C)[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000879320216 590740821 /nfs/dbraw/zinc/74/08/21/590740821.db2.gz DPWBIFKQQQMUKW-MELADBBJSA-N 2 0 240.391 1.970 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCCO3)CC[C@H]21 ZINC000879569162 590806759 /nfs/dbraw/zinc/80/67/59/590806759.db2.gz KQUZEJCLLXDANN-FRRDWIJNSA-N 2 0 224.348 1.191 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCCO3)CC[C@@H]21 ZINC000879569161 590807707 /nfs/dbraw/zinc/80/77/07/590807707.db2.gz KQUZEJCLLXDANN-AGIUHOORSA-N 2 0 224.348 1.191 20 0 BDADRP C[C@H](O)CCC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879580031 590817285 /nfs/dbraw/zinc/81/72/85/590817285.db2.gz DICCNKUPFYANBT-XQQFMLRXSA-N 2 0 226.364 1.173 20 0 BDADRP CC(C)[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879582098 590822830 /nfs/dbraw/zinc/82/28/30/590822830.db2.gz PPTXXAIQEPKVIL-RWMBFGLXSA-N 2 0 226.364 1.029 20 0 BDADRP CN1CCC[C@@H]2[C@H]1CC[N@@H+]2CCc1cccnc1 ZINC000880137718 590939706 /nfs/dbraw/zinc/93/97/06/590939706.db2.gz JLQSJKBUCRFJJY-HUUCEWRRSA-N 2 0 245.370 1.793 20 0 BDADRP CO[C@H](C)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880260027 590980882 /nfs/dbraw/zinc/98/08/82/590980882.db2.gz MJQUFRYTHVBLOG-QWHCGFSZSA-N 2 0 249.358 1.627 20 0 BDADRP C[C@@H]1CC[C@H](CO)[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000880439720 591042872 /nfs/dbraw/zinc/04/28/72/591042872.db2.gz ICVFGLHDRUCTBK-JHJVBQTASA-N 2 0 226.364 1.316 20 0 BDADRP COCC[N@H+](C)CCNc1ncnc(C)c1C ZINC000881908904 591277060 /nfs/dbraw/zinc/27/70/60/591277060.db2.gz WQXJOPCQQBIMRH-UHFFFAOYSA-N 2 0 238.335 1.084 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccccc2)CC[N@@H+]1C ZINC000129611408 591339923 /nfs/dbraw/zinc/33/99/23/591339923.db2.gz MMILFXRAWYPNRF-SNPRPXQTSA-N 2 0 248.370 1.792 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CC1(O)CCC1 ZINC000131112769 591554561 /nfs/dbraw/zinc/55/45/61/591554561.db2.gz ROSPFJYZWWZHMW-GHMZBOCLSA-N 2 0 212.337 1.009 20 0 BDADRP CCN1CC[C@@H]1C[NH2+][C@@H](C)CCCCO ZINC000883354693 591624274 /nfs/dbraw/zinc/62/42/74/591624274.db2.gz AQFCQBCSJBVUHC-NWDGAFQWSA-N 2 0 214.353 1.221 20 0 BDADRP CCN1CC[C@@H]1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000883356627 591627139 /nfs/dbraw/zinc/62/71/39/591627139.db2.gz RMFAEZICWSHSMY-QWHCGFSZSA-N 2 0 239.407 1.543 20 0 BDADRP CC[NH2+]CC1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000883417748 591654435 /nfs/dbraw/zinc/65/44/35/591654435.db2.gz LOXVZTUJZKYONJ-STQMWFEESA-N 2 0 243.370 1.008 20 0 BDADRP CC1(C)CCC[C@@H](C[NH2+]CC2([NH3+])CCC2)O1 ZINC000883425493 591658693 /nfs/dbraw/zinc/65/86/93/591658693.db2.gz VTWMGJQWGVRZJU-NSHDSACASA-N 2 0 226.364 1.805 20 0 BDADRP CC[N@@H+]1C[C@H](C)N(C[C@@H]2C[C@H](F)C[NH2+]2)C[C@@H]1C ZINC000883430728 591661538 /nfs/dbraw/zinc/66/15/38/591661538.db2.gz AZWYRQXLRGTNNR-CYDGBPFRSA-N 2 0 243.370 1.101 20 0 BDADRP C[C@@H]1CCCN(C[C@@H]2C[C@H](F)C[NH2+]2)[C@H]1CC[NH3+] ZINC000883435262 591665390 /nfs/dbraw/zinc/66/53/90/591665390.db2.gz NPHBDZUJHRVWCK-VOAKCMCISA-N 2 0 243.370 1.136 20 0 BDADRP C[NH2+]C[C@H]1CCCCN1CC[C@@H]1CCC[NH2+]C1 ZINC000883449888 591671304 /nfs/dbraw/zinc/67/13/04/591671304.db2.gz PMGLYMJBMTUJDN-UONOGXRCSA-N 2 0 239.407 1.450 20 0 BDADRP C[N@H+](CC[C@H]1CC[NH2+]C1)C1(CN)CCCCC1 ZINC000883454525 591672126 /nfs/dbraw/zinc/67/21/26/591672126.db2.gz DSKWMEACHYIXJO-CYBMUJFWSA-N 2 0 239.407 1.579 20 0 BDADRP C[NH+]1CCC(N[C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000131968080 591681161 /nfs/dbraw/zinc/68/11/61/591681161.db2.gz UDGBERGNGPWEHC-GJZGRUSLSA-N 2 0 245.370 1.815 20 0 BDADRP C[NH+](C)C1(CN[C@H]2CCC[C@@H]2C[NH3+])CCCC1 ZINC000131983961 591682517 /nfs/dbraw/zinc/68/25/17/591682517.db2.gz HHIPFBORZUXROC-OLZOCXBDSA-N 2 0 239.407 1.578 20 0 BDADRP C[NH+](C)C1(CN[C@@H]2CCC[C@H]2C[NH3+])CCCC1 ZINC000131984159 591682594 /nfs/dbraw/zinc/68/25/94/591682594.db2.gz HHIPFBORZUXROC-QWHCGFSZSA-N 2 0 239.407 1.578 20 0 BDADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N[C@@H](C)CCC[NH3+] ZINC000884296076 591897298 /nfs/dbraw/zinc/89/72/98/591897298.db2.gz NXZQLRJETHNSLC-WDEREUQCSA-N 2 0 243.395 1.240 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)c1cccc(C[NH3+])c1 ZINC000884358633 591912340 /nfs/dbraw/zinc/91/23/40/591912340.db2.gz USLIKIQOBWPGIU-NEPJUHHUSA-N 2 0 247.342 1.001 20 0 BDADRP C[NH2+][C@@H](CC(C)C)C(=O)NCC1([NH3+])CCCC1 ZINC000884404044 591925294 /nfs/dbraw/zinc/92/52/94/591925294.db2.gz ZSTLIWKKNCOOHV-NSHDSACASA-N 2 0 241.379 1.008 20 0 BDADRP C[C@@H]([NH2+]CCC[NH3+])c1cnn(-c2ccccc2)c1 ZINC000135259402 591999394 /nfs/dbraw/zinc/99/93/94/591999394.db2.gz CBYTUKYCUPSNIO-GFCCVEGCSA-N 2 0 244.342 1.872 20 0 BDADRP CC[C@H]1CCN(Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000135297585 592004044 /nfs/dbraw/zinc/00/40/44/592004044.db2.gz GCYMLPFWERHQQB-VIFPVBQESA-N 2 0 238.335 1.495 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC[C@H]2CCCO2)CC[N@@H+]1C ZINC000886727308 592312079 /nfs/dbraw/zinc/31/20/79/592312079.db2.gz SCBWFNQMDBHHAJ-YNEHKIRRSA-N 2 0 226.364 1.628 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](C[C@@H]2C[C@@]23CCOC3)CC1 ZINC000886827682 592351195 /nfs/dbraw/zinc/35/11/95/592351195.db2.gz PUTIUGVVBXJZHU-FPMFFAJLSA-N 2 0 238.375 1.472 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@H]2C[C@@]23CCOC3)C1 ZINC000886832391 592355050 /nfs/dbraw/zinc/35/50/50/592355050.db2.gz HRHFIUUQCLNBDP-UMSGYPCISA-N 2 0 224.348 1.082 20 0 BDADRP CC1([NH3+])CC[NH+](C[C@H]2C[C@@]23CCOC3)CC1 ZINC000886834810 592357375 /nfs/dbraw/zinc/35/73/75/592357375.db2.gz CZUHZJVBUHJGJU-DGCLKSJQSA-N 2 0 224.348 1.226 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@H]1C[C@@]12CCOC2 ZINC000886840309 592361291 /nfs/dbraw/zinc/36/12/91/592361291.db2.gz YXUHDEXMFCUMEW-FDYHWXHSSA-N 2 0 224.348 1.273 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@@H]1C[C@@]12CCOC2 ZINC000886841113 592361584 /nfs/dbraw/zinc/36/15/84/592361584.db2.gz CGLUSNZSZLYWNO-SRRSOLGSSA-N 2 0 224.348 1.128 20 0 BDADRP C[N@H+](CCCCCC[NH3+])C[C@@H]1C[C@]12CCOC2 ZINC000886841553 592363702 /nfs/dbraw/zinc/36/37/02/592363702.db2.gz OTPWDPAZWAQENS-KBPBESRZSA-N 2 0 240.391 1.864 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+]C2CC(OC)C2)C1 ZINC000220843740 592364415 /nfs/dbraw/zinc/36/44/15/592364415.db2.gz ZHMMEGBTPGQYSB-UNXYVOJBSA-N 2 0 212.337 1.095 20 0 BDADRP C([C@@H]1CC[NH2+]C1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886865846 592373629 /nfs/dbraw/zinc/37/36/29/592373629.db2.gz WJDTUESFLMHZHP-KGLIPLIRSA-N 2 0 237.391 1.062 20 0 BDADRP CC[C@@H](O)C[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887133074 592448420 /nfs/dbraw/zinc/44/84/20/592448420.db2.gz SSEAZDWVQVJRAU-GXTWGEPZSA-N 2 0 249.358 1.363 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])NCC(F)F ZINC000887354105 592486994 /nfs/dbraw/zinc/48/69/94/592486994.db2.gz PZRGBCIBUPFFGY-SECBINFHSA-N 2 0 248.321 1.240 20 0 BDADRP CC(C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000300231338 592505166 /nfs/dbraw/zinc/50/51/66/592505166.db2.gz GRMILDFQIMCGRW-TUAOUCFPSA-N 2 0 214.353 1.253 20 0 BDADRP [NH3+][C@@H]1C[C@H](N[C@H]2CC[NH2+]C3(CCC3)C2)C12CCC2 ZINC000925704056 634381852 /nfs/dbraw/zinc/38/18/52/634381852.db2.gz FZFLXECUHJLFHT-XQQFMLRXSA-N 2 0 249.402 1.521 20 0 BDADRP [NH3+][C@H]1C[C@H](N[C@@H]2CCCC[C@H]2[NH3+])C12CCC2 ZINC000925704715 634384574 /nfs/dbraw/zinc/38/45/74/634384574.db2.gz JMAOMSOTFNISOD-WYUUTHIRSA-N 2 0 223.364 1.116 20 0 BDADRP CC[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001246023141 987313919 /nfs/dbraw/zinc/31/39/19/987313919.db2.gz OIDYTLLMWZNTBR-GRYCIOLGSA-N 2 0 214.353 1.064 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)C12CCC2 ZINC000925705274 634387949 /nfs/dbraw/zinc/38/79/49/634387949.db2.gz AYOMFNWNVGDVMH-RMPHRYRLSA-N 2 0 222.332 1.166 20 0 BDADRP Cc1ccncc1CC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925709584 634406423 /nfs/dbraw/zinc/40/64/23/634406423.db2.gz VMUFHQWEUSUQML-UONOGXRCSA-N 2 0 245.370 1.792 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)O1 ZINC000299996638 634405568 /nfs/dbraw/zinc/40/55/68/634405568.db2.gz RVXLTDWZUZCOTI-FDYHWXHSSA-N 2 0 226.364 1.471 20 0 BDADRP CC1(C)C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)C[C@@H]([NH3+])C1 ZINC000925714455 634426906 /nfs/dbraw/zinc/42/69/06/634426906.db2.gz YTWSDSOZSBRGMJ-MLGHIDQZSA-N 2 0 238.375 1.802 20 0 BDADRP C[C@@H]([NH3+])[C@H](NCC12CC(C1)C[NH2+]2)c1ccccc1 ZINC000925715530 634442652 /nfs/dbraw/zinc/44/26/52/634442652.db2.gz JRHUAYVDPIRNLP-PKKNCYCMSA-N 2 0 245.370 1.417 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[NH2+]C12CCCC2 ZINC000925716578 634448911 /nfs/dbraw/zinc/44/89/11/634448911.db2.gz ANIQPFHTMZWZEL-QJPTWQEYSA-N 2 0 223.364 1.001 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@H]2COCC2(C)C)CC1 ZINC000313141459 634455057 /nfs/dbraw/zinc/45/50/57/634455057.db2.gz QNUFBAUMATWXMW-GFCCVEGCSA-N 2 0 226.364 1.343 20 0 BDADRP CC1CC(C[NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000925719616 634455815 /nfs/dbraw/zinc/45/58/15/634455815.db2.gz AUUZJEWNSVYOAJ-MCIGGMRASA-N 2 0 208.349 1.907 20 0 BDADRP Cc1nocc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257724681 634481497 /nfs/dbraw/zinc/48/14/97/634481497.db2.gz WGEOLZGSVVWJFD-UHFFFAOYSA-N 2 0 235.331 1.559 20 0 BDADRP C[C@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C[C@H]1C[NH3+] ZINC000313612800 634499019 /nfs/dbraw/zinc/49/90/19/634499019.db2.gz OQJWCQZFKBXCLG-NWANDNLSSA-N 2 0 248.370 1.637 20 0 BDADRP CN(CC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)CC(F)F ZINC000925725226 634507896 /nfs/dbraw/zinc/50/78/96/634507896.db2.gz RWYVBNCDAOJDSX-UWVGGRQHSA-N 2 0 247.333 1.043 20 0 BDADRP CC(=O)OC[C@@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000893471772 634521171 /nfs/dbraw/zinc/52/11/71/634521171.db2.gz WZMOGWCNIASVAK-LLVKDONJSA-N 2 0 242.363 1.260 20 0 BDADRP C[C@H]1NCCC[C@@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925727990 634527906 /nfs/dbraw/zinc/52/79/06/634527906.db2.gz RTNKCPZLAWUPGK-RGDJUOJXSA-N 2 0 237.391 1.247 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]C[C@H]2C[C@H](O)C2)C1 ZINC000925730139 634554978 /nfs/dbraw/zinc/55/49/78/634554978.db2.gz NQSPMOWKJHMOLR-YFKTTZPYSA-N 2 0 226.364 1.253 20 0 BDADRP CC(C)n1ccc(C[N@@H+]2CC[C@H](CC[NH3+])C2)n1 ZINC000125575952 634563710 /nfs/dbraw/zinc/56/37/10/634563710.db2.gz VJPDYHWIRRYPLX-LBPRGKRZSA-N 2 0 236.363 1.635 20 0 BDADRP C[C@@H]([NH3+])[C@H](NCCC(C)(C)[NH3+])c1ccccc1 ZINC000925736685 634591191 /nfs/dbraw/zinc/59/11/91/634591191.db2.gz JBWXLSOEPVYXAS-YPMHNXCESA-N 2 0 235.375 1.792 20 0 BDADRP Cc1cc([C@H](C)[NH2+]CCC(C)(C)[NH3+])n(C)n1 ZINC000925739560 634598331 /nfs/dbraw/zinc/59/83/31/634598331.db2.gz YVQUGWUGQOZGJE-JTQLQIEISA-N 2 0 224.352 1.507 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]1[C@@H]1C[C@H]1C ZINC000925824176 635414112 /nfs/dbraw/zinc/41/41/12/635414112.db2.gz QUPSSHFSMKJHKT-MLVXWEHQSA-N 2 0 238.375 1.373 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000925829062 635460000 /nfs/dbraw/zinc/46/00/00/635460000.db2.gz ALCDJYXPBZXELA-LBELIVKGSA-N 2 0 224.348 1.293 20 0 BDADRP C[NH2+]CC1CC[NH+](C/C=C/Cl)CC1 ZINC000063166063 635469489 /nfs/dbraw/zinc/46/94/89/635469489.db2.gz AFCBQLVRMZXTNU-GORDUTHDSA-N 2 0 202.729 1.670 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000925833693 635478470 /nfs/dbraw/zinc/47/84/70/635478470.db2.gz WYWPSIGGONVFPZ-PPCPHDFISA-N 2 0 222.332 1.047 20 0 BDADRP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2CC[NH2+]C2)CC1 ZINC000925862212 635559529 /nfs/dbraw/zinc/55/95/29/635559529.db2.gz YIACRBVWHCNSGF-ROKHWSDSSA-N 3 0 237.391 1.345 20 0 BDADRP COC[C@@H]1CCC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000234714117 635559563 /nfs/dbraw/zinc/55/95/63/635559563.db2.gz DVKWUXRVTPFFLI-KGLIPLIRSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)[C@H]1CCOC1 ZINC000925843716 635510903 /nfs/dbraw/zinc/51/09/03/635510903.db2.gz OKIRWWKFLLIFMH-XJFOESAGSA-N 2 0 238.375 1.533 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2C[NH3+])CCS1 ZINC000925857094 635549651 /nfs/dbraw/zinc/54/96/51/635549651.db2.gz HDZGCYGCVGQMDQ-DDHJBXDOSA-N 2 0 228.405 1.988 20 0 BDADRP CCc1onc(C)c1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000925888253 635615534 /nfs/dbraw/zinc/61/55/34/635615534.db2.gz ARRWYVUYYWIGNX-MNOVXSKESA-N 2 0 237.347 1.905 20 0 BDADRP Cn1nc(C2CC2)cc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000925873642 635592246 /nfs/dbraw/zinc/59/22/46/635592246.db2.gz LOOHKFRGIBOHNH-NEPJUHHUSA-N 2 0 248.374 1.657 20 0 BDADRP CC[NH+](CC)CCCNc1nc(N)cc(C)[nH+]1 ZINC000891435201 631246395 /nfs/dbraw/zinc/24/63/95/631246395.db2.gz YPXGIKCLEQTKDK-UHFFFAOYSA-N 2 0 237.351 1.511 20 0 BDADRP C[C@@H]1COC[C@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000926309793 631584811 /nfs/dbraw/zinc/58/48/11/631584811.db2.gz RVZDXWJXXXWEGT-BXUZGUMPSA-N 2 0 238.375 1.485 20 0 BDADRP C[N@H+](CC1CC[NH+](C)CC1)CC1(CO)CC1 ZINC000258980465 631706528 /nfs/dbraw/zinc/70/65/28/631706528.db2.gz UPBLVFREBLBFPX-UHFFFAOYSA-N 2 0 226.364 1.033 20 0 BDADRP CCCC[NH2+]CCCC[NH+]1CCOCC1 ZINC000308964257 631772497 /nfs/dbraw/zinc/77/24/97/631772497.db2.gz UGNYYQRFWGIJRD-UHFFFAOYSA-N 2 0 214.353 1.489 20 0 BDADRP C[C@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000309060180 631835659 /nfs/dbraw/zinc/83/56/59/631835659.db2.gz XIZFDLMKCJJTLR-STQMWFEESA-N 2 0 226.364 1.175 20 0 BDADRP CC[C@@H](CO)[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000049752930 631915117 /nfs/dbraw/zinc/91/51/17/631915117.db2.gz XEKCHCHNOYPXCX-RYUDHWBXSA-N 2 0 214.353 1.221 20 0 BDADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=[NH2+])N2CCC2)C1 ZINC000849012724 631936169 /nfs/dbraw/zinc/93/61/69/631936169.db2.gz VLUHDODCPSTOEM-LBPRGKRZSA-N 2 0 238.379 1.194 20 0 BDADRP C[NH+]1CCC(CNC(=[NH2+])NC(C)(C)C)CC1 ZINC000052044661 632051780 /nfs/dbraw/zinc/05/17/80/632051780.db2.gz KRCKUYGIPBUHLL-UHFFFAOYSA-N 2 0 226.368 1.241 20 0 BDADRP C[C@@H](CNC(=[NH2+])NC1CC1)[NH+]1CCCCC1 ZINC000052042793 632053425 /nfs/dbraw/zinc/05/34/25/632053425.db2.gz FZYZUHYPLKJDRB-JTQLQIEISA-N 2 0 224.352 1.137 20 0 BDADRP C[NH+]1CCC(CNC(=[NH2+])NC2CCCC2)CC1 ZINC000052048597 632056597 /nfs/dbraw/zinc/05/65/97/632056597.db2.gz PIKLSUJKCSEHRD-UHFFFAOYSA-N 2 0 238.379 1.385 20 0 BDADRP CCN(CC)[C@@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000091543923 632069234 /nfs/dbraw/zinc/06/92/34/632069234.db2.gz ZDNITUOOFJGGOC-HZSPNIEDSA-N 2 0 239.407 1.530 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@@H]2CCCO2)CC[C@H]1C[NH3+] ZINC000251733585 635706149 /nfs/dbraw/zinc/70/61/49/635706149.db2.gz KLBNTQSJGSGLFE-AGIUHOORSA-N 2 0 226.364 1.472 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1ccncc1 ZINC000089144653 632657369 /nfs/dbraw/zinc/65/73/69/632657369.db2.gz KJNIISBKSSUVTB-KGLIPLIRSA-N 2 0 233.359 1.731 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+](C)[C@@H]2CCOC2)CC[NH2+]1 ZINC000235366593 632680235 /nfs/dbraw/zinc/68/02/35/632680235.db2.gz PNJSQFKGUVGQGK-IJLUTSLNSA-N 2 0 212.337 1.095 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000235376041 632680513 /nfs/dbraw/zinc/68/05/13/632680513.db2.gz DIMIYPVGASQBTK-LPWJVIDDSA-N 2 0 210.365 1.820 20 0 BDADRP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@H](C)O ZINC000309978968 632689169 /nfs/dbraw/zinc/68/91/69/632689169.db2.gz VIEBZKSPQHSMDE-MNOVXSKESA-N 2 0 228.380 1.608 20 0 BDADRP CO[C@@H]1CCC[C@@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000310484362 632749140 /nfs/dbraw/zinc/74/91/40/632749140.db2.gz DPDXSFBIBCTAAD-QWHCGFSZSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)CC1(C)C ZINC000310568869 632760615 /nfs/dbraw/zinc/76/06/15/632760615.db2.gz YPMIOJNIOIIISP-STQMWFEESA-N 2 0 242.407 1.808 20 0 BDADRP C[C@@H]([NH2+]C/C=C/CO)c1cccc(C[NH+](C)C)c1 ZINC000926687787 632822714 /nfs/dbraw/zinc/82/27/14/632822714.db2.gz AZRILAXYLCVXEY-MUBLQREKSA-N 2 0 248.370 1.947 20 0 BDADRP C=CCNC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000066245118 632859180 /nfs/dbraw/zinc/85/91/80/632859180.db2.gz SVUREELOBFHBPV-LBPRGKRZSA-N 2 0 238.379 1.197 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H]2OC)C1 ZINC000309371642 632986006 /nfs/dbraw/zinc/98/60/06/632986006.db2.gz POEMHOXNCQWNIT-AGIUHOORSA-N 2 0 226.364 1.485 20 0 BDADRP CC(C)(C)C(=O)CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000309384621 633001346 /nfs/dbraw/zinc/00/13/46/633001346.db2.gz SLTNJAFGXJJQFR-GHMZBOCLSA-N 2 0 224.348 1.143 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@H]1CCC[C@H]1C[NH3+] ZINC000249931066 633013198 /nfs/dbraw/zinc/01/31/98/633013198.db2.gz DSDYVOROMGPDCT-AVGNSLFASA-N 2 0 227.396 1.434 20 0 BDADRP C[C@@H]1CCC[C@@]1(O)C[NH2+]CC1CC[NH+](C)CC1 ZINC000328135573 633735948 /nfs/dbraw/zinc/73/59/48/633735948.db2.gz XYTUCGGFGCMXCL-TZMCWYRMSA-N 2 0 240.391 1.469 20 0 BDADRP C(C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)CC1CC1 ZINC000328559073 633776486 /nfs/dbraw/zinc/77/64/86/633776486.db2.gz DGDNUEHUUTYVDI-QSLWVIQJSA-N 2 0 220.360 1.763 20 0 BDADRP CC1(C)C[C@@H]([NH2+][C@@H]2CCC[C@H](O)C2)C[C@@H]([NH3+])C1 ZINC000925501455 633823509 /nfs/dbraw/zinc/82/35/09/633823509.db2.gz ISNOWZISULTDIS-NDBYEHHHSA-N 2 0 240.391 1.786 20 0 BDADRP C[NH+](C)CCCN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925503081 633827697 /nfs/dbraw/zinc/82/76/97/633827697.db2.gz MWAAJCWIPBRCLT-NWDGAFQWSA-N 2 0 227.396 1.434 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1NC1CC[NH+](C2CC2)CC1 ZINC000925516945 633870647 /nfs/dbraw/zinc/87/06/47/633870647.db2.gz UQNUBKUVZXKTTQ-ZDUSSCGKSA-N 2 0 237.391 1.343 20 0 BDADRP CCC(CC)(CCO)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925527699 633914593 /nfs/dbraw/zinc/91/45/93/633914593.db2.gz PNBQTKYDQBQWDV-LBPRGKRZSA-N 2 0 242.407 1.905 20 0 BDADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CC[C@H]1C ZINC000309945013 634048745 /nfs/dbraw/zinc/04/87/45/634048745.db2.gz DAKISTURPQKUNL-JHJVBQTASA-N 2 0 228.380 1.731 20 0 BDADRP CO[C@H](C)CC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925565670 634059489 /nfs/dbraw/zinc/05/94/89/634059489.db2.gz WAJYKJMAFGESQB-NDBYEHHHSA-N 2 0 240.391 1.778 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)CC1 ZINC000895442713 636144717 /nfs/dbraw/zinc/14/47/17/636144717.db2.gz KIIUVAXSUPZHNS-ZIAGYGMSSA-N 2 0 238.375 1.297 20 0 BDADRP Cc1cc(F)ncc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000893304061 634124356 /nfs/dbraw/zinc/12/43/56/634124356.db2.gz JUZLBFAPXZRRFV-UHFFFAOYSA-N 2 0 249.333 1.881 20 0 BDADRP C[C@@H](CO)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925617508 634165723 /nfs/dbraw/zinc/16/57/23/634165723.db2.gz WKSFKORJLZYFLY-CYZMBNFOSA-N 2 0 226.364 1.125 20 0 BDADRP Cc1cncc(CN[C@@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925628008 634184161 /nfs/dbraw/zinc/18/41/61/634184161.db2.gz DGAUYFZNBJYLTR-CHWSQXEVSA-N 2 0 231.343 1.750 20 0 BDADRP Cc1cncc(CN[C@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925628009 634184223 /nfs/dbraw/zinc/18/42/23/634184223.db2.gz DGAUYFZNBJYLTR-OLZOCXBDSA-N 2 0 231.343 1.750 20 0 BDADRP C[C@H]1[C@@H]([NH+](C)C)CCN1CC[NH+]1CCCCC1 ZINC000931043884 634196718 /nfs/dbraw/zinc/19/67/18/634196718.db2.gz RHIKTPSCFRTJPC-KBPBESRZSA-N 2 0 239.407 1.497 20 0 BDADRP CC1(C)C[C@@H]([NH2+][C@@H]2CCCC[C@H]2O)C[C@@H]([NH3+])C1 ZINC000925645860 634200067 /nfs/dbraw/zinc/20/00/67/634200067.db2.gz SJHZHQJSRXHLQZ-YVECIDJPSA-N 2 0 240.391 1.786 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925662394 634228437 /nfs/dbraw/zinc/22/84/37/634228437.db2.gz HQNHLSRXUFJWFN-FRRDWIJNSA-N 2 0 239.407 1.576 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)C1CC1 ZINC000925676231 634267544 /nfs/dbraw/zinc/26/75/44/634267544.db2.gz QBYIBYXCESSOSG-JHJVBQTASA-N 2 0 240.391 1.907 20 0 BDADRP CC(C)(CO)CC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925681388 634279994 /nfs/dbraw/zinc/27/99/94/634279994.db2.gz YAPKVCRRGGRVQP-SNVBAGLBSA-N 2 0 214.353 1.125 20 0 BDADRP C[N@H+](CC1CC[NH+](C)CC1)C[C@@H]1CCC=CO1 ZINC000193880009 634295496 /nfs/dbraw/zinc/29/54/96/634295496.db2.gz HMXUHRVALVDHPH-AWEZNQCLSA-N 2 0 238.375 1.953 20 0 BDADRP C[C@H]([NH3+])CCN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925691785 634318831 /nfs/dbraw/zinc/31/88/31/634318831.db2.gz JUSYVQYMORMTOC-FPMFFAJLSA-N 2 0 239.407 1.482 20 0 BDADRP C[C@H]([NH3+])CCN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925691787 634321074 /nfs/dbraw/zinc/32/10/74/634321074.db2.gz JUSYVQYMORMTOC-IACUBPJLSA-N 2 0 239.407 1.482 20 0 BDADRP C[C@H]1[NH2+]CCC[C@@H]1NCC1([NH3+])CCCCC1 ZINC000925692012 634321722 /nfs/dbraw/zinc/32/17/22/634321722.db2.gz NZTUGTQEVKRXNC-NEPJUHHUSA-N 2 0 225.380 1.378 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@@H](NC2CC[NH2+]CC2)C1 ZINC000925691977 634323246 /nfs/dbraw/zinc/32/32/46/634323246.db2.gz NXGSRWIBYKYLNS-CMPLNLGQSA-N 2 0 225.380 1.234 20 0 BDADRP COCC(COC)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925692488 634325363 /nfs/dbraw/zinc/32/53/63/634325363.db2.gz QJIBRYXSEBVRDT-GHMZBOCLSA-N 2 0 244.379 1.143 20 0 BDADRP C[C@H]1[C@H]2CC[C@@H](C[C@H]1NC1C[C@H]3CC[C@@H](C1)[NH2+]3)[NH2+]2 ZINC000925693262 634326646 /nfs/dbraw/zinc/32/66/46/634326646.db2.gz QWGRMAMMBJBRNT-SGUQZDGRSA-N 3 0 249.402 1.388 20 0 BDADRP [NH3+][C@H](CN[C@@H]1C[C@H]([NH3+])C12CCC2)c1ccccc1 ZINC000925695252 634345176 /nfs/dbraw/zinc/34/51/76/634345176.db2.gz VAMFOZOGTJZLHK-HZSPNIEDSA-N 2 0 245.370 1.546 20 0 BDADRP CCC([NH3+])(CC)CN[C@@H]1CCC[NH2+][C@@H]1C ZINC000925697062 634359723 /nfs/dbraw/zinc/35/97/23/634359723.db2.gz DIKGNGFXLMWOPC-GHMZBOCLSA-N 2 0 213.369 1.234 20 0 BDADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ncc[nH]1 ZINC000925697321 634361178 /nfs/dbraw/zinc/36/11/78/634361178.db2.gz DLOQYPZZOAMUJJ-SNVBAGLBSA-N 2 0 222.336 1.450 20 0 BDADRP C[C@@H]([NH3+])CN[C@@H](CCC[NH3+])c1ccccc1 ZINC000925698122 634361770 /nfs/dbraw/zinc/36/17/70/634361770.db2.gz BZEJCTSTDSBZBZ-YPMHNXCESA-N 3 0 221.348 1.403 20 0 BDADRP [NH3+]C1(C[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)CCC1 ZINC000925699125 634366652 /nfs/dbraw/zinc/36/66/52/634366652.db2.gz NAADWHBGUPYEKU-RWMBFGLXSA-N 2 0 238.375 1.663 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925698967 634367029 /nfs/dbraw/zinc/36/70/29/634367029.db2.gz MCRPBNZCDZQQIW-NDBYEHHHSA-N 2 0 239.407 1.480 20 0 BDADRP CCC([NH3+])(CC)CN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925699051 634367312 /nfs/dbraw/zinc/36/73/12/634367312.db2.gz MPYIDDNAHIJDJG-NEPJUHHUSA-N 2 0 241.423 2.000 20 0 BDADRP C[C@H]([NH3+])C[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000925699576 634368004 /nfs/dbraw/zinc/36/80/04/634368004.db2.gz KPMKGAMGZFCMEH-WHOHXGKFSA-N 2 0 212.337 1.128 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](N[C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925700515 634370805 /nfs/dbraw/zinc/37/08/05/634370805.db2.gz QTPURTUBPRVSDF-AGIUHOORSA-N 2 0 237.391 1.521 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]CC[C@H]2CCCO2)C12CCC2 ZINC000925774199 635231901 /nfs/dbraw/zinc/23/19/01/635231901.db2.gz LCOSYERNDBDKPR-WOPDTQHZSA-N 2 0 224.348 1.415 20 0 BDADRP Cn1cncc1CCC[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000314834884 635238696 /nfs/dbraw/zinc/23/86/96/635238696.db2.gz GFQQFWATTOECCY-LBPRGKRZSA-N 2 0 236.363 1.023 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CC(C)(C)CO1)[C@@H]1CCC[NH2+]1 ZINC000925775785 635249020 /nfs/dbraw/zinc/24/90/20/635249020.db2.gz SNMGQLLHBKEKGU-AGIUHOORSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1N[C@@H](CCC[NH3+])c1ccccc1 ZINC000925780607 635270705 /nfs/dbraw/zinc/27/07/05/635270705.db2.gz SGBALHHBSUEQOI-VHDGCEQUSA-N 2 0 247.386 1.664 20 0 BDADRP C(CC[NH+]1CCOCC1)C[NH2+]C1CCCC1 ZINC000125939847 635334190 /nfs/dbraw/zinc/33/41/90/635334190.db2.gz BKDUQFUATHKNDG-UHFFFAOYSA-N 2 0 226.364 1.631 20 0 BDADRP C[C@H]1CCC[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925812664 635369143 /nfs/dbraw/zinc/36/91/43/635369143.db2.gz XZOCEAOESFVFRI-AAEUAGOBSA-N 2 0 225.380 1.188 20 0 BDADRP CN(C)c1cc[nH+]c(CN[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000925813490 635373935 /nfs/dbraw/zinc/37/39/35/635373935.db2.gz UIMMVJVNXVIIIO-RISCZKNCSA-N 2 0 248.374 1.365 20 0 BDADRP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)C(C)(C)C ZINC000925814661 635377921 /nfs/dbraw/zinc/37/79/21/635377921.db2.gz KYFKBALAPFNFRK-LLVKDONJSA-N 2 0 227.396 1.434 20 0 BDADRP Cc1cccc(CC[NH2+]C2CC[NH2+]CC2)c1 ZINC000051669479 636656720 /nfs/dbraw/zinc/65/67/20/636656720.db2.gz DIGSOSPXWVWAIT-UHFFFAOYSA-N 2 0 218.344 1.879 20 0 BDADRP CN(C[C@H]1CCC[N@@H+]1C)C[C@]1(C)CCC[NH2+]C1 ZINC000252577903 636769897 /nfs/dbraw/zinc/76/98/97/636769897.db2.gz JWXFMNCSCJZUAF-ZIAGYGMSSA-N 2 0 239.407 1.402 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+]C2[C@H](C)COC[C@H]2C)C1 ZINC000924705745 637013373 /nfs/dbraw/zinc/01/33/73/637013373.db2.gz MIJRMOABVUSCGC-JHJVBQTASA-N 2 0 240.391 1.589 20 0 BDADRP C[C@@](O)(C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)C1CC1 ZINC000902362719 637299985 /nfs/dbraw/zinc/29/99/85/637299985.db2.gz ZCHAZWDIVPHFTF-TZMCWYRMSA-N 2 0 240.391 1.515 20 0 BDADRP [NH3+]CCC1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903461407 637362633 /nfs/dbraw/zinc/36/26/33/637362633.db2.gz SJYZEHSMRXUABU-OLZOCXBDSA-N 3 0 225.380 1.175 20 0 BDADRP C[N@H+](CCN1CCCCC1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903461628 637362827 /nfs/dbraw/zinc/36/28/27/637362827.db2.gz WMIHRANOTXPFRW-KGLIPLIRSA-N 2 0 239.407 1.532 20 0 BDADRP C[C@H](CO)[C@@H]1CCCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903463590 637365110 /nfs/dbraw/zinc/36/51/10/637365110.db2.gz GEXPWAMAQGOXTG-MQYQWHSLSA-N 2 0 240.391 1.597 20 0 BDADRP CC[C@@H]1CCC[N@@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903721988 637378543 /nfs/dbraw/zinc/37/85/43/637378543.db2.gz GSVIWTRPJXXNNY-MCIONIFRSA-N 2 0 238.375 1.629 20 0 BDADRP Cc1cn(C)nc1C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000903789631 637383586 /nfs/dbraw/zinc/38/35/86/637383586.db2.gz YPZGYMZHAKKUSN-CMPLNLGQSA-N 2 0 236.363 1.145 20 0 BDADRP CC1CC(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC000903789063 637384156 /nfs/dbraw/zinc/38/41/56/637384156.db2.gz UBTUCISRMNKBBZ-KPFVRQRISA-N 2 0 210.365 1.949 20 0 BDADRP CC1CC(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000903789042 637384278 /nfs/dbraw/zinc/38/42/78/637384278.db2.gz SYVOHZKGWCSKNV-IFWUJCSASA-N 2 0 208.349 1.574 20 0 BDADRP C[C@]1(CN2CC[C@]3(C2)CCCC[NH2+]3)CC[NH2+]C1 ZINC000904431031 637400728 /nfs/dbraw/zinc/40/07/28/637400728.db2.gz WNTJNJLFNOEVPA-KBPBESRZSA-N 2 0 237.391 1.204 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[C@]2(C1)CCCC[NH2+]2 ZINC000904430999 637400760 /nfs/dbraw/zinc/40/07/60/637400760.db2.gz VPLUVCYMTOVSPP-KBPBESRZSA-N 2 0 239.407 1.578 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+][C@H]1COC[C@@H]1C1CC1 ZINC000904477383 637426967 /nfs/dbraw/zinc/42/69/67/637426967.db2.gz VEMNJQIZDHDNPP-XQQFMLRXSA-N 2 0 226.364 1.374 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000904917426 637524401 /nfs/dbraw/zinc/52/44/01/637524401.db2.gz LZFCPMRLKHCJCM-MDZLAQPJSA-N 2 0 241.379 1.090 20 0 BDADRP [NH3+][C@H]1CC=C(c2nc(CC3CC[NH2+]CC3)no2)C1 ZINC000905309175 637766448 /nfs/dbraw/zinc/76/64/48/637766448.db2.gz UWYXVHJHOHEZII-NSHDSACASA-N 2 0 248.330 1.116 20 0 BDADRP Cc1cccc([C@H](O)C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000905916106 637972813 /nfs/dbraw/zinc/97/28/13/637972813.db2.gz XXJMZJKIVWSFFL-RBSFLKMASA-N 2 0 246.354 1.180 20 0 BDADRP CCc1nn(C)c(CC)c1CNC1CC([NH3+])C1 ZINC000906509501 638181819 /nfs/dbraw/zinc/18/18/19/638181819.db2.gz GNNMJQFYDCYCCB-UHFFFAOYSA-N 2 0 236.363 1.124 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2c[nH]nc2-c2cccs2)C1 ZINC000906508605 638181909 /nfs/dbraw/zinc/18/19/09/638181909.db2.gz RNOTVZCTZGQNJS-MGCOHNPYSA-N 2 0 248.355 1.718 20 0 BDADRP COc1cccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)c1 ZINC000906508596 638182421 /nfs/dbraw/zinc/18/24/21/638182421.db2.gz RJMPBEKONAFJCM-XYPYZODXSA-N 2 0 206.289 1.275 20 0 BDADRP Cc1cccc(C)c1C[NH2+]C1CC([NH3+])C1 ZINC000906510105 638184534 /nfs/dbraw/zinc/18/45/34/638184534.db2.gz MRJNJPCGBVWSDY-UHFFFAOYSA-N 2 0 204.317 1.883 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000906519267 638187273 /nfs/dbraw/zinc/18/72/73/638187273.db2.gz XAJHKRZADNWKBB-HDJSIYSDSA-N 2 0 246.354 1.633 20 0 BDADRP C[C@H](O)CC[N@H+](C)CCCCCC[NH3+] ZINC000385832737 711455837 /nfs/dbraw/zinc/45/58/37/711455837.db2.gz LYDQVZSYUMXFNX-NSHDSACASA-N 2 0 202.342 1.208 20 0 BDADRP C[NH2+]C1CC(C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000911649112 639703272 /nfs/dbraw/zinc/70/32/72/639703272.db2.gz QKCCSVKMUNOYOB-UHFFFAOYSA-N 2 0 233.315 1.082 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)Nc1cccc(C[NH3+])c1 ZINC000911649961 639706752 /nfs/dbraw/zinc/70/67/52/639706752.db2.gz YNQFVISBHKPMFY-LBPRGKRZSA-N 2 0 249.358 1.847 20 0 BDADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)Nc1cccc(C[NH3+])c1 ZINC000911649884 639707932 /nfs/dbraw/zinc/70/79/32/639707932.db2.gz WWIILZKQJXFZNR-GXFFZTMASA-N 2 0 249.358 1.847 20 0 BDADRP [NH3+]Cc1cccc(NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000911649987 639708032 /nfs/dbraw/zinc/70/80/32/639708032.db2.gz ZEDXCSXFRJRBEC-OLZOCXBDSA-N 2 0 247.342 1.601 20 0 BDADRP CC(C)(C[NH3+])CC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000911766537 639790698 /nfs/dbraw/zinc/79/06/98/639790698.db2.gz GEEXWDNHTQGPHI-LBPRGKRZSA-N 2 0 249.358 1.178 20 0 BDADRP CC[C@H](CO)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000930575793 639813277 /nfs/dbraw/zinc/81/32/77/639813277.db2.gz FGSXGXHSHWPSAO-CHWSQXEVSA-N 2 0 226.364 1.175 20 0 BDADRP CC(C)[C@](C)(C[NH3+])NC(=O)C[C@H]([NH3+])C(C)(C)C ZINC000911835340 639847130 /nfs/dbraw/zinc/84/71/30/639847130.db2.gz ZRSFRKCJLXDMMS-GWCFXTLKSA-N 2 0 243.395 1.240 20 0 BDADRP CC(C)[C@](C)(C[NH3+])NC(=O)C[C@@H]([NH3+])C(C)(C)C ZINC000911835343 639847405 /nfs/dbraw/zinc/84/74/05/639847405.db2.gz ZRSFRKCJLXDMMS-MFKMUULPSA-N 2 0 243.395 1.240 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)C[C@H]([NH3+])CC(C)C ZINC000911858913 639849574 /nfs/dbraw/zinc/84/95/74/639849574.db2.gz XDUCQQZRCDFISH-LLVKDONJSA-N 2 0 243.395 1.384 20 0 BDADRP C[NH2+]C1CC(C(=O)Nc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000911844441 639855296 /nfs/dbraw/zinc/85/52/96/639855296.db2.gz GHECJMSAZZLJQR-FJJSSXBZSA-N 2 0 247.342 1.643 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)C[C@@H]([NH3+])C(C)(C)C ZINC000911880230 639867122 /nfs/dbraw/zinc/86/71/22/639867122.db2.gz KSCGLBBPECNUAR-WDEREUQCSA-N 2 0 243.395 1.384 20 0 BDADRP C[NH+]1C[C@@]2(C)CN(CCn3cccn3)C[C@]2(C)C1 ZINC000931309499 640145615 /nfs/dbraw/zinc/14/56/15/640145615.db2.gz YADBQKMNWRZUOS-KBPBESRZSA-N 2 0 248.374 1.157 20 0 BDADRP CC[C@H](CO)[NH+]1C[C@@]2(C)CN(C)C[C@]2(C)C1 ZINC000931316229 640154265 /nfs/dbraw/zinc/15/42/65/640154265.db2.gz HSRLQYJNLPTAPQ-JHJVBQTASA-N 2 0 226.364 1.031 20 0 BDADRP C[NH+](C)C1(C)CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000931354682 640166934 /nfs/dbraw/zinc/16/69/34/640166934.db2.gz LUPHVZKMMQNULJ-CYBMUJFWSA-N 2 0 240.391 1.972 20 0 BDADRP COCCCC[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931351937 640167880 /nfs/dbraw/zinc/16/78/80/640167880.db2.gz YULZGXSKKASUBK-UHFFFAOYSA-N 2 0 228.380 1.829 20 0 BDADRP CSCC[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931430428 640198318 /nfs/dbraw/zinc/19/83/18/640198318.db2.gz BZCCPIHISFDQQA-WDEREUQCSA-N 2 0 214.378 1.233 20 0 BDADRP Cc1cc(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)on1 ZINC000931432254 640198456 /nfs/dbraw/zinc/19/84/56/640198456.db2.gz ZWEXQVCRVSWDMR-NEPJUHHUSA-N 2 0 235.331 1.367 20 0 BDADRP CC[C@H](C)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931434904 640201950 /nfs/dbraw/zinc/20/19/50/640201950.db2.gz AOTSPEFTFSOKSL-RWMBFGLXSA-N 2 0 210.365 1.916 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](CCOC(C)(C)C)C[C@@H]2C1 ZINC000931433988 640203066 /nfs/dbraw/zinc/20/30/66/640203066.db2.gz LPXIFNMMFUCXJN-OLZOCXBDSA-N 2 0 240.391 1.685 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](CCOCC(F)F)C[C@@H]2C1 ZINC000931438695 640204045 /nfs/dbraw/zinc/20/40/45/640204045.db2.gz XZZUGFRUQKQBHU-MNOVXSKESA-N 2 0 248.317 1.152 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](C[Si](C)(C)C)C[C@@H]2C1 ZINC000931440364 640207263 /nfs/dbraw/zinc/20/72/63/640207263.db2.gz WYWBCHGYRITSFK-NEPJUHHUSA-N 2 0 226.440 1.747 20 0 BDADRP C[C@@H](C1CC1)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931479827 640234645 /nfs/dbraw/zinc/23/46/45/640234645.db2.gz CTDQRODVUQMGOR-NSHDSACASA-N 2 0 226.364 1.173 20 0 BDADRP CC(C)CCOCC[NH2+]C1CCN(C)CC1 ZINC000044387398 640289262 /nfs/dbraw/zinc/28/92/62/640289262.db2.gz ALXAIYQFHOQTQW-UHFFFAOYSA-N 2 0 228.380 1.733 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000924853530 640289897 /nfs/dbraw/zinc/28/98/97/640289897.db2.gz PABQWKWYKZWQGG-QWRGUYRKSA-N 2 0 237.347 1.778 20 0 BDADRP C[NH+]1CCC(C[NH2+]Cc2ccccn2)CC1 ZINC000044515824 640398521 /nfs/dbraw/zinc/39/85/21/640398521.db2.gz XWQFEJBBLUOHCT-UHFFFAOYSA-N 2 0 219.332 1.513 20 0 BDADRP C[NH+]1CCC(C[NH2+]CCOc2ccccc2)CC1 ZINC000044518063 640398584 /nfs/dbraw/zinc/39/85/84/640398584.db2.gz UZVVZJIWWQHNQA-UHFFFAOYSA-N 2 0 248.370 1.997 20 0 BDADRP Cc1nccn1CC[NH2+]CC1CC[NH+](C)CC1 ZINC000044518005 640399851 /nfs/dbraw/zinc/39/98/51/640399851.db2.gz WPLIAADPYAYZEZ-UHFFFAOYSA-N 2 0 236.363 1.123 20 0 BDADRP C[NH+](C)C1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000036192435 640402041 /nfs/dbraw/zinc/40/20/41/640402041.db2.gz DMSZQRAODAAIGW-LBPRGKRZSA-N 2 0 225.380 1.012 20 0 BDADRP COC[C@@H](C)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000045655935 640615614 /nfs/dbraw/zinc/61/56/14/640615614.db2.gz WMXKLGKMLCNJTB-LBPRGKRZSA-N 2 0 228.380 1.731 20 0 BDADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)C[C@H]1CCC[NH2+]1 ZINC000157515956 640689641 /nfs/dbraw/zinc/68/96/41/640689641.db2.gz BNSJNLZTBZEVFY-YPMHNXCESA-N 2 0 241.379 1.008 20 0 BDADRP C[C@@H]1CCN(C/C=C/Cl)C[C@@H]1C[NH3+] ZINC000167652729 640737599 /nfs/dbraw/zinc/73/75/99/640737599.db2.gz CCBWIFRVKYZHKZ-WMSLEYKJSA-N 2 0 202.729 1.656 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000226345733 640750699 /nfs/dbraw/zinc/75/06/99/640750699.db2.gz IIQOERZJFYBNLD-QWHCGFSZSA-N 3 0 239.407 1.435 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@H](N3CCCC3)C2)C1 ZINC000228225861 640866280 /nfs/dbraw/zinc/86/62/80/640866280.db2.gz KUJJRLKOBZMIKU-MJBXVCDLSA-N 2 0 237.391 1.284 20 0 BDADRP CC(C)[NH+](CCCNC(=[NH2+])NC1CC1)C(C)C ZINC000074797723 640972248 /nfs/dbraw/zinc/97/22/48/640972248.db2.gz QUTLTXYQTDSJGL-UHFFFAOYSA-N 2 0 240.395 1.562 20 0 BDADRP CC(C)CNC(=[NH2+])NC[C@H](C)C[NH+]1CCCC1 ZINC000062072492 641019509 /nfs/dbraw/zinc/01/95/09/641019509.db2.gz QKJXQSHJWMAPEH-LBPRGKRZSA-N 2 0 240.395 1.488 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000230680176 641081493 /nfs/dbraw/zinc/08/14/93/641081493.db2.gz UYNXALUOEXKCEN-RYUDHWBXSA-N 2 0 214.353 1.269 20 0 BDADRP C[C@@H]1C[N@H+](C[C@]2(C)CCC[NH2+]C2)CCCO1 ZINC000062868022 641102332 /nfs/dbraw/zinc/10/23/32/641102332.db2.gz IBSLNQJHMBIJJZ-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP CC[C@H](O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063200405 641145432 /nfs/dbraw/zinc/14/54/32/641145432.db2.gz VMOOEYNWVAVZOE-QWHCGFSZSA-N 2 0 226.364 1.221 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1CC=CC[C@H]1C ZINC000934621781 641211209 /nfs/dbraw/zinc/21/12/09/641211209.db2.gz LLUCYNSCKLWGPR-FRRDWIJNSA-N 2 0 226.364 1.243 20 0 BDADRP C[N@H+](C[C@@H](O)CC1CCCC1)CC(C)(C)C[NH3+] ZINC000232148696 641249513 /nfs/dbraw/zinc/24/95/13/641249513.db2.gz NYLCBQNRWWIKQQ-ZDUSSCGKSA-N 2 0 242.407 1.844 20 0 BDADRP C[C@@H](C[NH+](C)C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000130067834 641332360 /nfs/dbraw/zinc/33/23/60/641332360.db2.gz VAEVIKBARYCQOI-WODVXLOZSA-N 2 0 225.380 1.151 20 0 BDADRP CC(C)COCC[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000232671838 641338160 /nfs/dbraw/zinc/33/81/60/641338160.db2.gz YQLWXDSFGNWOQN-GFCCVEGCSA-N 2 0 214.353 1.330 20 0 BDADRP CC(C)COCC[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000232673541 641341118 /nfs/dbraw/zinc/34/11/18/641341118.db2.gz YQLWXDSFGNWOQN-LBPRGKRZSA-N 2 0 214.353 1.330 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]CCn2ccnc2)CC1 ZINC000041063680 641541547 /nfs/dbraw/zinc/54/15/47/641541547.db2.gz AKPCZYNSPQSGDS-UHFFFAOYSA-N 2 0 236.363 1.346 20 0 BDADRP C[N@H+](CCC[NH3+])C[C@@H]1CCCC(C)(C)O1 ZINC000714375681 711505592 /nfs/dbraw/zinc/50/55/92/711505592.db2.gz WBNVAGAHXNHORI-NSHDSACASA-N 2 0 214.353 1.615 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])[C@H]1CCOC1 ZINC000158482682 641637721 /nfs/dbraw/zinc/63/77/21/641637721.db2.gz LVBNIXRGCOLEEF-QNWHQSFQSA-N 2 0 226.364 1.519 20 0 BDADRP C[NH+]1CCC(NCc2ccc(F)nc2)CC1 ZINC000188970656 641779247 /nfs/dbraw/zinc/77/92/47/641779247.db2.gz BKLXFBGNFNOMLQ-UHFFFAOYSA-N 2 0 223.295 1.405 20 0 BDADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)CCCCC[NH3+] ZINC000154153980 641971716 /nfs/dbraw/zinc/97/17/16/641971716.db2.gz ROUHOBWSBVMWBE-LBPRGKRZSA-N 2 0 243.395 1.337 20 0 BDADRP CC1(C[NH2+][C@H]2CCC[C@H]2C[NH3+])CCOCC1 ZINC000233029979 642646892 /nfs/dbraw/zinc/64/68/92/642646892.db2.gz LTGBCOGHUGUHTB-RYUDHWBXSA-N 2 0 226.364 1.520 20 0 BDADRP CCOC[C@H]([NH2+]CC1CC[NH+](C)CC1)C(C)C ZINC000233771537 642693844 /nfs/dbraw/zinc/69/38/44/642693844.db2.gz GBVPZOWKUIMDON-AWEZNQCLSA-N 2 0 242.407 1.979 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+]CC(C)(C)[NH3+])C1(C)C ZINC000233777316 642695048 /nfs/dbraw/zinc/69/50/48/642695048.db2.gz IPQFVCPWIVBNNA-ZJUUUORDSA-N 2 0 214.353 1.517 20 0 BDADRP C[C@@H]([NH3+])CCC(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000070317079 643012721 /nfs/dbraw/zinc/01/27/21/643012721.db2.gz WKGVTQMQSWPSPE-VXGBXAGGSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@@H](C[NH2+][C@H]1CCOC1)C[NH+]1CCCCC1 ZINC000070968039 643090731 /nfs/dbraw/zinc/09/07/31/643090731.db2.gz IPNRMISSQDRMIW-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H](C[NH2+][C@@H]1CCOC1)C[NH+]1CCCC1 ZINC000070969568 643091909 /nfs/dbraw/zinc/09/19/09/643091909.db2.gz AISRYUWLZDBIMI-NWDGAFQWSA-N 2 0 212.337 1.097 20 0 BDADRP C[N@@H+]1CC[C@H](N[C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000252765251 643111094 /nfs/dbraw/zinc/11/10/94/643111094.db2.gz FSGVHGZVTFPSMO-GDLCADMTSA-N 2 0 231.343 1.425 20 0 BDADRP CC(C)([NH3+])CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000304570070 643128291 /nfs/dbraw/zinc/12/82/91/643128291.db2.gz HXKCFYPKOLQPCY-VXGBXAGGSA-N 2 0 225.380 1.330 20 0 BDADRP C[C@H]1CC[N@H+](CCOc2ccccc2)C[C@H]1C[NH3+] ZINC000253207290 643185323 /nfs/dbraw/zinc/18/53/23/643185323.db2.gz HCKZWULLMOEZIX-UONOGXRCSA-N 2 0 248.370 1.982 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC000306042168 643286248 /nfs/dbraw/zinc/28/62/48/643286248.db2.gz XLWAIRHDIZUJMP-KGLIPLIRSA-N 2 0 248.370 1.698 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[N@H+](C)C(C)(C)C1 ZINC000082485463 643320529 /nfs/dbraw/zinc/32/05/29/643320529.db2.gz XVIXYQYWJITSHT-LBPRGKRZSA-N 2 0 227.396 1.386 20 0 BDADRP C1CSC[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000220672187 643366621 /nfs/dbraw/zinc/36/66/21/643366621.db2.gz KAAREGDEPKFPJD-MNOVXSKESA-N 2 0 214.378 1.614 20 0 BDADRP C[C@@H](C[NH2+][C@@H]1CCOC1)C[NH+]1CCCCC1 ZINC000070968030 643398996 /nfs/dbraw/zinc/39/89/96/643398996.db2.gz IPNRMISSQDRMIW-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCOC1 ZINC000070963763 643400179 /nfs/dbraw/zinc/40/01/79/643400179.db2.gz JFSYFSWPXJHLGK-CHWSQXEVSA-N 2 0 228.380 1.875 20 0 BDADRP COC[C@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000085016202 643523623 /nfs/dbraw/zinc/52/36/23/643523623.db2.gz HKONFWNDQYOSDQ-WOPDTQHZSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@@H]1CO[C@@H](C)C[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000085014645 643523677 /nfs/dbraw/zinc/52/36/77/643523677.db2.gz CWVLZEWZFZLPGL-KXNHARMFSA-N 2 0 212.337 1.223 20 0 BDADRP C[N@@H+](Cc1cscn1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000085015438 643523949 /nfs/dbraw/zinc/52/39/49/643523949.db2.gz SMHFRTSRDIGUPZ-ZJUUUORDSA-N 2 0 225.361 1.702 20 0 BDADRP Cc1ncsc1C[NH2+]CCC(C)(C)[NH3+] ZINC000082773409 643525900 /nfs/dbraw/zinc/52/59/00/643525900.db2.gz CPYXCCCBZXLLJM-UHFFFAOYSA-N 2 0 213.350 1.669 20 0 BDADRP CC[C@H]1C[N@H+](CCCCCCO)CC[C@@H]1[NH3+] ZINC000234195061 643572441 /nfs/dbraw/zinc/57/24/41/643572441.db2.gz VCHLNCUGOOMGCH-STQMWFEESA-N 2 0 228.380 1.598 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000083525975 643584981 /nfs/dbraw/zinc/58/49/81/643584981.db2.gz UFCQMJACQQTLNM-RYUDHWBXSA-N 2 0 212.337 1.226 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)C(C)(C)O ZINC000083727611 643622906 /nfs/dbraw/zinc/62/29/06/643622906.db2.gz RLNIQZVSGWAQHO-JTQLQIEISA-N 2 0 214.353 1.077 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCC(F)(F)F ZINC000084221760 643651430 /nfs/dbraw/zinc/65/14/30/643651430.db2.gz OHOBDVDHXPMXTQ-YUMQZZPRSA-N 2 0 210.243 1.656 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+](C)C[C@H]2CCCCO2)CC[NH2+]1 ZINC000261542273 643653251 /nfs/dbraw/zinc/65/32/51/643653251.db2.gz OMLAMBOTMLBEOH-MGPQQGTHSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@H]1COCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000085014742 643678884 /nfs/dbraw/zinc/67/88/84/643678884.db2.gz URHBYDTXHDXIHN-WOPDTQHZSA-N 2 0 212.337 1.225 20 0 BDADRP CC(C)N1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000085014701 643679391 /nfs/dbraw/zinc/67/93/91/643679391.db2.gz QLBIIACQUXBNBH-OLZOCXBDSA-N 2 0 225.380 1.140 20 0 BDADRP C[N@H+](CCn1cccn1)C1CCC([NH3+])CC1 ZINC000085870177 643824252 /nfs/dbraw/zinc/82/42/52/643824252.db2.gz PQOYCSIKAQQKGC-UHFFFAOYSA-N 2 0 222.336 1.085 20 0 BDADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCCCCCO ZINC000228659088 644140067 /nfs/dbraw/zinc/14/00/67/644140067.db2.gz OXVMYWUBVQFXLJ-RYUDHWBXSA-N 2 0 214.353 1.208 20 0 BDADRP Cc1nn(C)c(C)c1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000076683439 644250212 /nfs/dbraw/zinc/25/02/12/644250212.db2.gz KWEXUGZZCUEODM-GFCCVEGCSA-N 2 0 236.363 1.208 20 0 BDADRP COC[C@H]1CC[N@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000081079747 644306496 /nfs/dbraw/zinc/30/64/96/644306496.db2.gz AJQQHKHJSNMZKC-QWHCGFSZSA-N 2 0 226.364 1.344 20 0 BDADRP [NH3+][C@@H]1CCCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923279687 644312628 /nfs/dbraw/zinc/31/26/28/644312628.db2.gz BGBOFHCFNYIION-CPIKKWJDSA-N 2 0 237.391 1.330 20 0 BDADRP Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000923281731 644314144 /nfs/dbraw/zinc/31/41/44/644314144.db2.gz ROZCHHSNIZDBPV-ZFWWWQNUSA-N 2 0 248.370 1.699 20 0 BDADRP CCCCCC[C@@H](O)C[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000923288753 644322943 /nfs/dbraw/zinc/32/29/43/644322943.db2.gz CEFJUKNVQGSCEX-ZIAGYGMSSA-N 2 0 242.407 1.859 20 0 BDADRP CCOCCOCC[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000923290531 644325144 /nfs/dbraw/zinc/32/51/44/644325144.db2.gz YNUBTKUYJKVDIE-QWHCGFSZSA-N 2 0 244.379 1.099 20 0 BDADRP C[C@@H](C[NH3+])N(C)C[C@@H](O)CCc1ccccc1 ZINC000923292493 644329706 /nfs/dbraw/zinc/32/97/06/644329706.db2.gz YPFUPNAZEXKBTL-JSGCOSHPSA-N 2 0 236.359 1.259 20 0 BDADRP C([C@H]1CC2(C[NH2+]C2)CO1)[NH+]1CCCCCCC1 ZINC000923300484 644334415 /nfs/dbraw/zinc/33/44/15/644334415.db2.gz SZMJNUVFNQEODX-CYBMUJFWSA-N 2 0 238.375 1.631 20 0 BDADRP C[N@@H+](Cc1ccccc1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923298345 644338035 /nfs/dbraw/zinc/33/80/35/644338035.db2.gz AQFYZJVLHJWGDK-CQSZACIVSA-N 2 0 246.354 1.497 20 0 BDADRP CC[C@@H]1C[C@H](C)C[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923314597 644342013 /nfs/dbraw/zinc/34/20/13/644342013.db2.gz BGDKWBOFJONQDX-XQQFMLRXSA-N 2 0 238.375 1.485 20 0 BDADRP C[N@H+](CCCc1ccccc1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923303385 644342414 /nfs/dbraw/zinc/34/24/14/644342414.db2.gz LETVAQKEBTUHAX-KKUMJFAQSA-N 2 0 248.370 1.402 20 0 BDADRP CC[C@H](C)C[N@H+](CC)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923315153 644343846 /nfs/dbraw/zinc/34/38/46/644343846.db2.gz QDXMDRMYKDYCQH-STQMWFEESA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1CC[C@@H](C)[NH+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923317931 644344412 /nfs/dbraw/zinc/34/44/12/644344412.db2.gz HEORFABTWMTCKF-IJLUTSLNSA-N 2 0 224.348 1.238 20 0 BDADRP C[C@@H]1CCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923310214 644346512 /nfs/dbraw/zinc/34/65/12/644346512.db2.gz ZBWRMVLXWYXFIX-OLZOCXBDSA-N 2 0 238.375 1.487 20 0 BDADRP CCc1ncc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)o1 ZINC000923348433 644359563 /nfs/dbraw/zinc/35/95/63/644359563.db2.gz GYKDGBPRSALHHW-NSHDSACASA-N 2 0 237.347 1.798 20 0 BDADRP CC(C)CC[C@H](O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000923345150 644363887 /nfs/dbraw/zinc/36/38/87/644363887.db2.gz IXSGYMGLAIGSEC-LBPRGKRZSA-N 2 0 228.380 1.597 20 0 BDADRP C[C@H](O)C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000923352267 644370649 /nfs/dbraw/zinc/37/06/49/644370649.db2.gz CLGFVTNOJQAYNU-NSHDSACASA-N 2 0 214.353 1.208 20 0 BDADRP CCCCCC[C@H](O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000923356897 644375816 /nfs/dbraw/zinc/37/58/16/644375816.db2.gz VOMRJNMLPGYGBM-UONOGXRCSA-N 2 0 242.407 1.988 20 0 BDADRP C[C@H]1CN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1[NH3+] ZINC000923366183 644378886 /nfs/dbraw/zinc/37/88/86/644378886.db2.gz KOCJNCPNTDXLDJ-APYLGABCSA-N 2 0 237.391 1.186 20 0 BDADRP CC(C)CC[C@@H](O)C[N@H+](C)C1CC([NH3+])C1 ZINC000923362661 644386051 /nfs/dbraw/zinc/38/60/51/644386051.db2.gz MFABOAFJFZPFPJ-HTAVTVPLSA-N 2 0 214.353 1.205 20 0 BDADRP C[C@H]1CCN(CCC[NH2+]C2CC2)C[C@@H]1C[NH3+] ZINC000923374800 644389755 /nfs/dbraw/zinc/38/97/55/644389755.db2.gz CHZLZVITOFQBQQ-RYUDHWBXSA-N 2 0 225.380 1.045 20 0 BDADRP CC[C@@H]1CC[C@H](C)[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923373352 644389850 /nfs/dbraw/zinc/38/98/50/644389850.db2.gz MXHPYMONWYVEEY-XQQFMLRXSA-N 2 0 238.375 1.628 20 0 BDADRP CC[C@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923376386 644390637 /nfs/dbraw/zinc/39/06/37/644390637.db2.gz ANMNFIBGVGKNMP-HTFCKZLJSA-N 2 0 212.337 1.005 20 0 BDADRP C[NH2+]CCC[N@H+](C)C[C@@H](O)CCC(C)C ZINC000923379086 644392503 /nfs/dbraw/zinc/39/25/03/644392503.db2.gz ODVRNIGTARRYRL-LBPRGKRZSA-N 2 0 216.369 1.325 20 0 BDADRP CC(C)CC[C@@H](O)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000923381418 644394148 /nfs/dbraw/zinc/39/41/48/644394148.db2.gz MPIXIXHOLCMYPV-CYBMUJFWSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)[C@H](C)C1 ZINC000923387645 644398225 /nfs/dbraw/zinc/39/82/25/644398225.db2.gz YCZHJRPKBMJVHU-JHJVBQTASA-N 2 0 238.375 1.485 20 0 BDADRP Cc1ccc([C@H](O)C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000923413193 644416054 /nfs/dbraw/zinc/41/60/54/644416054.db2.gz UPKBSCVMWONHMW-VHDGCEQUSA-N 2 0 248.370 1.555 20 0 BDADRP CC(C)CC[C@H](O)C[N@@H+]1CC[NH2+]CCC1(C)C ZINC000923413879 644416269 /nfs/dbraw/zinc/41/62/69/644416269.db2.gz JJPKBRQHAATNIF-ZDUSSCGKSA-N 2 0 242.407 1.857 20 0 BDADRP C/C=C/C[C@@H]1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923413611 644416433 /nfs/dbraw/zinc/41/64/33/644416433.db2.gz WGRMDSWATWPQKN-QEKLFGDMSA-N 2 0 238.375 1.515 20 0 BDADRP C[C@H]1CN[C@@H](C)[C@H](C)[N@@H+]1CC1CC[NH2+]CC1 ZINC000923435920 644428455 /nfs/dbraw/zinc/42/84/55/644428455.db2.gz KVSKKVHLMHUQKH-SRVKXCTJSA-N 2 0 225.380 1.057 20 0 BDADRP C[C@@H]1CN[C@@H](C)[C@@H](C)[N@@H+]1CCC1CC[NH2+]CC1 ZINC000923438440 644431418 /nfs/dbraw/zinc/43/14/18/644431418.db2.gz ZGMYYAHJMDCXKF-FRRDWIJNSA-N 2 0 239.407 1.447 20 0 BDADRP CC[C@H](C)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923452157 644441888 /nfs/dbraw/zinc/44/18/88/644441888.db2.gz RWUUHXQKVQYHGS-NWDGAFQWSA-N 2 0 226.364 1.615 20 0 BDADRP Cc1noc([C@H](C)[N@@H+]2CC[C@@H](CC[NH3+])C2)n1 ZINC000923486472 644456474 /nfs/dbraw/zinc/45/64/74/644456474.db2.gz QTMJMZRKKQWFCW-WCBMZHEXSA-N 2 0 224.308 1.110 20 0 BDADRP Cc1ccc(C)c(CN2CCC[C@]([NH3+])(CO)C2)c1 ZINC000923481613 644459740 /nfs/dbraw/zinc/45/97/40/644459740.db2.gz ZXSQXHINDKZGNG-OAHLLOKOSA-N 2 0 248.370 1.589 20 0 BDADRP CCO[C@H](C[N@@H+]1CC[C@H](CC[NH3+])C1)C1CC1 ZINC000923480859 644460171 /nfs/dbraw/zinc/46/01/71/644460171.db2.gz KTZUBCFXKFYOQU-WCQYABFASA-N 2 0 226.364 1.472 20 0 BDADRP COCCCCC[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923495704 644462300 /nfs/dbraw/zinc/46/23/00/644462300.db2.gz FCWSKFVIZOZFCW-QWHCGFSZSA-N 2 0 228.380 1.720 20 0 BDADRP CC(C)OC(=O)CC[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923496213 644463806 /nfs/dbraw/zinc/46/38/06/644463806.db2.gz GUFFTDNJEAYKLN-NEPJUHHUSA-N 2 0 242.363 1.245 20 0 BDADRP Cc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)no1 ZINC000923490398 644464954 /nfs/dbraw/zinc/46/49/54/644464954.db2.gz NKBMFWMNJXQCKJ-KOLCDFICSA-N 2 0 223.320 1.400 20 0 BDADRP Cc1ccncc1C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923488444 644464992 /nfs/dbraw/zinc/46/49/92/644464992.db2.gz FVWKPQROCNVFCO-CHWSQXEVSA-N 2 0 233.359 1.807 20 0 BDADRP Cc1nccnc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923491028 644466183 /nfs/dbraw/zinc/46/61/83/644466183.db2.gz QBAUHZNULNOFKG-JQWIXIFHSA-N 2 0 234.347 1.202 20 0 BDADRP C[C@H]1C[N@H+](CCCc2ccncc2)CC[C@H]1C[NH3+] ZINC000923492730 644467173 /nfs/dbraw/zinc/46/71/73/644467173.db2.gz CIMJNLROHRKUMR-ZFWWWQNUSA-N 2 0 247.386 1.931 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccns2)CC[C@H]1C[NH3+] ZINC000923492134 644468553 /nfs/dbraw/zinc/46/85/53/644468553.db2.gz WGEQKMQAHYPIBV-UWVGGRQHSA-N 2 0 225.361 1.560 20 0 BDADRP Cc1noc(C)c1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923502571 644469627 /nfs/dbraw/zinc/46/96/27/644469627.db2.gz CASQSXVWFDLHNS-CABZTGNLSA-N 2 0 237.347 1.708 20 0 BDADRP C[C@H]1C[N@H+](CCc2ccns2)CC[C@@H]1C[NH3+] ZINC000923494072 644470318 /nfs/dbraw/zinc/47/03/18/644470318.db2.gz VNXDWOFOAZOSRN-WDEREUQCSA-N 2 0 239.388 1.602 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccncc2)CC[C@@H]1C[NH3+] ZINC000923497105 644470452 /nfs/dbraw/zinc/47/04/52/644470452.db2.gz KYXKCZDABBRVBD-WCQYABFASA-N 2 0 219.332 1.498 20 0 BDADRP CCc1cnc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)o1 ZINC000923499449 644472763 /nfs/dbraw/zinc/47/27/63/644472763.db2.gz KXOPQQIMSMXOOE-GHMZBOCLSA-N 2 0 237.347 1.654 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccno2)CC[C@@H]1C[NH3+] ZINC000923501128 644475054 /nfs/dbraw/zinc/47/50/54/644475054.db2.gz ZDQSVUILPYRTMD-VHSXEESVSA-N 2 0 209.293 1.091 20 0 BDADRP C[C@H](O)C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923508698 644477797 /nfs/dbraw/zinc/47/77/97/644477797.db2.gz MKVSAWVRMIYEND-QWHCGFSZSA-N 2 0 240.391 1.469 20 0 BDADRP COC[C@@H](C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)C(C)C ZINC000923516277 644479046 /nfs/dbraw/zinc/47/90/46/644479046.db2.gz XTZJYRCDXZWAFN-BFHYXJOUSA-N 2 0 240.391 1.446 20 0 BDADRP OC[C@H]1CCCCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000923529897 644482264 /nfs/dbraw/zinc/48/22/64/644482264.db2.gz CXONMMFRUKWVRR-ZIAGYGMSSA-N 2 0 240.391 1.613 20 0 BDADRP [NH3+]CC[C@@H]1CN(C[C@H]2CCC[NH2+]2)c2ccccc21 ZINC000923555288 644496993 /nfs/dbraw/zinc/49/69/93/644496993.db2.gz UIHYEBIRMLHSMA-CHWSQXEVSA-N 2 0 245.370 1.691 20 0 BDADRP C(C[N@@H+]1CCOC[C@H]1CC1CC1)[C@H]1CC[NH2+]C1 ZINC000923555238 644499046 /nfs/dbraw/zinc/49/90/46/644499046.db2.gz RXHLRUFMQVJSNM-ZIAGYGMSSA-N 2 0 238.375 1.487 20 0 BDADRP C[NH2+]CCCN1C[C@H](CC[NH3+])c2ccccc21 ZINC000923556148 644500116 /nfs/dbraw/zinc/50/01/16/644500116.db2.gz VHBHYVIAAGHIBF-LBPRGKRZSA-N 2 0 233.359 1.549 20 0 BDADRP C[NH2+]CCCN1C[C@@H](CC[NH3+])c2ccccc21 ZINC000923556147 644502352 /nfs/dbraw/zinc/50/23/52/644502352.db2.gz VHBHYVIAAGHIBF-GFCCVEGCSA-N 2 0 233.359 1.549 20 0 BDADRP CC[NH+]1CCC(N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000089145443 644536478 /nfs/dbraw/zinc/53/64/78/644536478.db2.gz NRRQAJIYAFLUQJ-TZMCWYRMSA-N 2 0 239.407 1.578 20 0 BDADRP Cc1cc(N[C@H]2CC[N@H+](C)[C@H](C)C2)nc(N)[nH+]1 ZINC000090795331 644605669 /nfs/dbraw/zinc/60/56/69/644605669.db2.gz YMNBTYAMECPSPR-ZJUUUORDSA-N 2 0 235.335 1.262 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000250058162 644747818 /nfs/dbraw/zinc/74/78/18/644747818.db2.gz ZEAGHRDPZUBYFT-IHRRRGAJSA-N 2 0 241.423 1.824 20 0 BDADRP C[N@H+](C[C@@H]1CCOC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250388668 644757090 /nfs/dbraw/zinc/75/70/90/644757090.db2.gz KOMBDRFDMLUDRU-ACJTYDJDSA-N 2 0 224.348 1.238 20 0 BDADRP C[C@@H]1COCC[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251669673 644816487 /nfs/dbraw/zinc/81/64/87/644816487.db2.gz HHLJACIXQWRZSB-RLAWYHOSSA-N 2 0 238.375 1.628 20 0 BDADRP CC[C@H](C)NC(=O)CC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000251926904 644830755 /nfs/dbraw/zinc/83/07/55/644830755.db2.gz QUOUDLOVKUPYAM-SRVKXCTJSA-N 2 0 241.379 1.008 20 0 BDADRP Cc1cc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)nc(N)[nH+]1 ZINC000252672818 644875326 /nfs/dbraw/zinc/87/53/26/644875326.db2.gz CZBHGXOQQSNSSI-MNOVXSKESA-N 2 0 247.346 1.406 20 0 BDADRP CC[C@H](O)C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000252685266 644878889 /nfs/dbraw/zinc/87/88/89/644878889.db2.gz HUPBZFSDFNDFLZ-QWRGUYRKSA-N 2 0 202.342 1.063 20 0 BDADRP CC(C)([NH3+])CC[NH2+]C1Cc2ccccc2C1 ZINC000304679871 644925778 /nfs/dbraw/zinc/92/57/78/644925778.db2.gz YKTDFVMWJJXLDB-UHFFFAOYSA-N 2 0 218.344 1.871 20 0 BDADRP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000253112774 644936623 /nfs/dbraw/zinc/93/66/23/644936623.db2.gz YLOIYLKVEODUIB-WHOHXGKFSA-N 2 0 226.364 1.253 20 0 BDADRP CC[NH2+]CC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000841856820 645230395 /nfs/dbraw/zinc/23/03/95/645230395.db2.gz QDQFCEYTTBAVNR-CYBMUJFWSA-N 2 0 249.358 1.192 20 0 BDADRP Cc1cc(C[NH2+]CCCCCC[NH3+])nn1C ZINC000843128787 645265732 /nfs/dbraw/zinc/26/57/32/645265732.db2.gz LULNHRAAVJZKJZ-UHFFFAOYSA-N 2 0 224.352 1.337 20 0 BDADRP Cn1ccnc1[C@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000843389747 645288574 /nfs/dbraw/zinc/28/85/74/645288574.db2.gz QHQPPPPIPXAHRJ-OLZOCXBDSA-N 2 0 248.374 1.209 20 0 BDADRP c1ccc([C@@H]2CC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)nc1 ZINC000843388769 645289012 /nfs/dbraw/zinc/28/90/12/645289012.db2.gz FJRJJQUHMWEWQK-CHWSQXEVSA-N 2 0 231.343 1.480 20 0 BDADRP CC[NH2+]CC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000844187975 645316646 /nfs/dbraw/zinc/31/66/46/645316646.db2.gz RTEHRIVEJUQYNH-NSHDSACASA-N 2 0 243.395 1.079 20 0 BDADRP C[C@@H]1OC[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)[C@@H]1C ZINC000926665854 645344879 /nfs/dbraw/zinc/34/48/79/645344879.db2.gz NNHRNUHZVGDLHF-RXGFPQBGSA-N 2 0 226.364 1.340 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)C(C)(C)CO ZINC000926751991 645403530 /nfs/dbraw/zinc/40/35/30/645403530.db2.gz BWDAUVRIPRBPCH-STQMWFEESA-N 2 0 242.407 1.715 20 0 BDADRP CC[NH+](CC)C[C@@H](C)N[C@@H]1CC[NH2+]C12CCC2 ZINC000925488012 645501515 /nfs/dbraw/zinc/50/15/15/645501515.db2.gz ANABVBQKHQMNMZ-CHWSQXEVSA-N 2 0 239.407 1.591 20 0 BDADRP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2C=CCC2)CC1 ZINC000877625396 645802927 /nfs/dbraw/zinc/80/29/27/645802927.db2.gz XZRAUILJBGBHQT-LBPRGKRZSA-N 2 0 238.375 1.530 20 0 BDADRP COCC[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925500796 645943304 /nfs/dbraw/zinc/94/33/04/645943304.db2.gz FNAOIOFGYKNETG-ZDUSSCGKSA-N 2 0 222.332 1.703 20 0 BDADRP CC[NH+](CC)CCC[NH2+]C1[C@H](C)COC[C@H]1C ZINC000924529600 646051157 /nfs/dbraw/zinc/05/11/57/646051157.db2.gz VYQUIHFZKGTUAR-CHWSQXEVSA-N 2 0 242.407 1.979 20 0 BDADRP C[C@H]([NH2+]CCC[NH+](C)C)c1cc[nH]c(=O)c1 ZINC000924539434 646060281 /nfs/dbraw/zinc/06/02/81/646060281.db2.gz KDBLRWSTCFPJSP-JTQLQIEISA-N 2 0 223.320 1.390 20 0 BDADRP COc1cc([C@@H](C)[NH2+]CCCC[NH+](C)C)on1 ZINC000924855444 646119342 /nfs/dbraw/zinc/11/93/42/646119342.db2.gz PXJIBCFOIQNUSO-SNVBAGLBSA-N 2 0 241.335 1.676 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H](C)C(C)(C)CO)CC1 ZINC000924950906 646139664 /nfs/dbraw/zinc/13/96/64/646139664.db2.gz AHUUWERRHXHYGU-GFCCVEGCSA-N 2 0 242.407 1.715 20 0 BDADRP Cc1nonc1[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000924964263 646144398 /nfs/dbraw/zinc/14/43/98/646144398.db2.gz PUTLHPFMHIDEMD-SECBINFHSA-N 2 0 238.335 1.370 20 0 BDADRP CC[C@@H](CO)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000929717938 646271599 /nfs/dbraw/zinc/27/15/99/646271599.db2.gz BCZANSIRNVVVQJ-KGLIPLIRSA-N 2 0 240.391 1.565 20 0 BDADRP CC[N@@H+]1CC[C@H](CN[C@H]2CC[NH2+]C23CCC3)C1 ZINC000925478632 646293100 /nfs/dbraw/zinc/29/31/00/646293100.db2.gz VPEKHIXGOHNODF-OLZOCXBDSA-N 2 0 237.391 1.202 20 0 BDADRP Cc1ccc([C@H](O)CN[C@H]2CC[NH2+]C2(C)C)cc1 ZINC000925489945 646299552 /nfs/dbraw/zinc/29/95/52/646299552.db2.gz BFEMFTILXWIYMB-KGLIPLIRSA-N 2 0 248.370 1.759 20 0 BDADRP CC[NH+](CC)CCN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925501479 646304181 /nfs/dbraw/zinc/30/41/81/646304181.db2.gz ICBRBRMEQIWSNA-CHWSQXEVSA-N 2 0 241.423 1.824 20 0 BDADRP CC[C@H](COC)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925508780 646307812 /nfs/dbraw/zinc/30/78/12/646307812.db2.gz JFSYWXGHAPZPHY-UTUOFQBUSA-N 2 0 228.380 1.907 20 0 BDADRP C[NH+](C)C1(CN[C@H]2CC[NH2+]C2(C)C)CCCC1 ZINC000925520869 646313048 /nfs/dbraw/zinc/31/30/48/646313048.db2.gz TUGMGYNEPZEKLT-LBPRGKRZSA-N 2 0 239.407 1.591 20 0 BDADRP CC(=O)NCCC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925521725 646315729 /nfs/dbraw/zinc/31/57/29/646315729.db2.gz ZXXOWAKIZPISMF-VXGBXAGGSA-N 2 0 241.379 1.008 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CC2(CO)CC2)C1 ZINC000925529935 646319919 /nfs/dbraw/zinc/31/99/19/646319919.db2.gz NYUVRUBTPVULAP-WDEREUQCSA-N 2 0 226.364 1.255 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CC2(CO)CC2)C1 ZINC000925529934 646320381 /nfs/dbraw/zinc/32/03/81/646320381.db2.gz NYUVRUBTPVULAP-QWRGUYRKSA-N 2 0 226.364 1.255 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1cccnc1 ZINC000925536082 646321793 /nfs/dbraw/zinc/32/17/93/646321793.db2.gz MUWBNGHHYYJVSP-DGKWVBSXSA-N 2 0 245.370 1.730 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2CC[NH2+]C2(C)C)C[N@@H+]1C1CC1 ZINC000925542192 646324562 /nfs/dbraw/zinc/32/45/62/646324562.db2.gz NZMZVCXGVNYZIW-NTZNESFSSA-N 2 0 237.391 1.342 20 0 BDADRP Cc1noc(C)c1CC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925556937 646333789 /nfs/dbraw/zinc/33/37/89/646333789.db2.gz NACBIUVQRWNJHH-STQMWFEESA-N 2 0 249.358 1.693 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCc3n[nH]cc3C2)C12CCC2 ZINC000925582521 646346582 /nfs/dbraw/zinc/34/65/82/646346582.db2.gz GNLRBWPXAAVBOR-RTXFEEFZSA-N 2 0 246.358 1.127 20 0 BDADRP COCC1([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925603140 646354224 /nfs/dbraw/zinc/35/42/24/646354224.db2.gz ICMVVRJOWWBRQO-NXEZZACHSA-N 2 0 210.321 1.025 20 0 BDADRP CC[C@@H](CN[C@@H]1CC[NH2+]C1(C)C)[NH+]1CCCC1 ZINC000925606776 646356960 /nfs/dbraw/zinc/35/69/60/646356960.db2.gz QGCJBDYNRWSXCE-QWHCGFSZSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@H](CO)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925611419 646360717 /nfs/dbraw/zinc/36/07/17/646360717.db2.gz CHPAGELECCMLSK-DGCLKSJQSA-N 2 0 222.332 1.437 20 0 BDADRP C[C@H](O)C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925611703 646360768 /nfs/dbraw/zinc/36/07/68/646360768.db2.gz NVLXHQLAUOLXLV-WCQYABFASA-N 2 0 222.332 1.437 20 0 BDADRP CC1(C)C[C@@H]([NH2+][C@@H]2C=C[C@H](CO)C2)C[C@@H]([NH3+])C1 ZINC000925614486 646363490 /nfs/dbraw/zinc/36/34/90/646363490.db2.gz JJZJYQIMGYVPRP-LOWDOPEQSA-N 2 0 238.375 1.419 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000925616342 646365937 /nfs/dbraw/zinc/36/59/37/646365937.db2.gz RDCSFYWIWDPZGT-SRVKXCTJSA-N 2 0 226.364 1.268 20 0 BDADRP CC1(C)[C@@H]([NH2+][C@H]2CCOC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925620168 646367907 /nfs/dbraw/zinc/36/79/07/646367907.db2.gz ABYIPINVMRIJEY-USZNOCQGSA-N 2 0 224.348 1.142 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925633693 646378311 /nfs/dbraw/zinc/37/83/11/646378311.db2.gz GKFGSSHJHRXNMT-BJDJZHNGSA-N 2 0 228.380 1.641 20 0 BDADRP OCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925644542 646385225 /nfs/dbraw/zinc/38/52/25/646385225.db2.gz NELWLBQSPXEDCP-RWMBFGLXSA-N 2 0 238.375 1.412 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOC2CC2)[C@H](C)C1 ZINC000929998101 646390657 /nfs/dbraw/zinc/39/06/57/646390657.db2.gz BRKIODGYLBLTSR-TZMCWYRMSA-N 2 0 240.391 1.828 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+][C@H]2CC[NH2+]C2(C)C)C[C@H](C)O1 ZINC000925654440 646395026 /nfs/dbraw/zinc/39/50/26/646395026.db2.gz MLQKMMLZZVZWNN-RNJOBUHISA-N 2 0 240.391 1.920 20 0 BDADRP FC(F)OCCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925668318 646398457 /nfs/dbraw/zinc/39/84/57/646398457.db2.gz YKDNNWXEYRXNIR-JTQLQIEISA-N 2 0 248.317 1.880 20 0 BDADRP CC(C)[N@@H+](C)C[C@@H](C)N[C@@H]1CC[NH2+]C12CCC2 ZINC000925668603 646399929 /nfs/dbraw/zinc/39/99/29/646399929.db2.gz IOOJVYYFLRSZPW-CHWSQXEVSA-N 2 0 239.407 1.589 20 0 BDADRP CC(C)[C@@H](CO)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925674605 646402022 /nfs/dbraw/zinc/40/20/22/646402022.db2.gz SJOZFVHCSMPANR-OLZOCXBDSA-N 2 0 240.391 1.515 20 0 BDADRP CC[C@@H](C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)OC ZINC000925675530 646404864 /nfs/dbraw/zinc/40/48/64/646404864.db2.gz JAPJKLGZXNKPHJ-RNJOBUHISA-N 2 0 240.391 1.778 20 0 BDADRP C[C@@H](CCCO)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925680561 646408942 /nfs/dbraw/zinc/40/89/42/646408942.db2.gz RSAIZYYYHVWKPD-STQMWFEESA-N 2 0 240.391 1.659 20 0 BDADRP Cc1cccnc1CCN[C@H]1CC[NH2+]C1(C)C ZINC000925683425 646411909 /nfs/dbraw/zinc/41/19/09/646411909.db2.gz QFIRCQKKJPQJIY-ZDUSSCGKSA-N 2 0 233.359 1.663 20 0 BDADRP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)[C@@H](O)C(C)C ZINC000925691525 646415898 /nfs/dbraw/zinc/41/58/98/646415898.db2.gz OGTKCHRUSRYMLS-LOWDOPEQSA-N 2 0 240.391 1.641 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@H](NCC[NH2+]C2CC2)C1 ZINC000925690740 646417035 /nfs/dbraw/zinc/41/70/35/646417035.db2.gz GYMQSGYUNRGNEB-JQWIXIFHSA-N 2 0 225.380 1.234 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+][C@@H]2CCC[C@H]2O)C1 ZINC000925696834 646421169 /nfs/dbraw/zinc/42/11/69/646421169.db2.gz UUIKXQUKMAGWAQ-IRCOFANPSA-N 2 0 226.364 1.395 20 0 BDADRP C[C@@H]1NCCC[C@@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000925699900 646423153 /nfs/dbraw/zinc/42/31/53/646423153.db2.gz LVLNDXBKFYQXQT-XUXIUFHCSA-N 2 0 239.407 1.482 20 0 BDADRP [NH3+]C[C@H](N[C@H]1C[C@H]([NH3+])C12CCC2)C1CCCC1 ZINC000925702485 646427212 /nfs/dbraw/zinc/42/72/12/646427212.db2.gz AOAGLYGMWJXAAD-AVGNSLFASA-N 2 0 237.391 1.363 20 0 BDADRP [NH3+]CCC[C@H]([NH2+]C/C=C/CO)c1ccccc1 ZINC000925705100 646429111 /nfs/dbraw/zinc/42/91/11/646429111.db2.gz JJLJLOBMHVQYHC-NNTXTVRGSA-N 2 0 234.343 1.605 20 0 BDADRP C1=C(CC[NH2+][C@H]2CC[NH2+]C23CCCC3)CC[NH2+]C1 ZINC000925704317 646429139 /nfs/dbraw/zinc/42/91/39/646429139.db2.gz GCMHGSYVYNGEDF-AWEZNQCLSA-N 2 0 249.402 1.561 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000925705585 646431039 /nfs/dbraw/zinc/43/10/39/646431039.db2.gz KHEBKZBDGORSLL-NWDGAFQWSA-N 2 0 237.391 1.391 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000925708346 646432585 /nfs/dbraw/zinc/43/25/85/646432585.db2.gz SJJITEYDXLQMAY-STQMWFEESA-N 2 0 237.391 1.345 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H](N[C@H]2CCCC[NH2+]C2)C1 ZINC000925710094 646433982 /nfs/dbraw/zinc/43/39/82/646433982.db2.gz WEUDWODCWABLBN-FRRDWIJNSA-N 2 0 239.407 1.624 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C/C=C\CO)C1 ZINC000925710354 646434866 /nfs/dbraw/zinc/43/48/66/646434866.db2.gz WTQMKBNMIKBNEC-ANDSXOESSA-N 2 0 212.337 1.031 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925711834 646435888 /nfs/dbraw/zinc/43/58/88/646435888.db2.gz SMQZYEGBYLUSAO-UONOGXRCSA-N 3 0 235.375 1.794 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925713348 646438576 /nfs/dbraw/zinc/43/85/76/646438576.db2.gz XQELUTAIZOIEOM-MNOVXSKESA-N 3 0 213.369 1.234 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925713450 646438687 /nfs/dbraw/zinc/43/86/87/646438687.db2.gz SWDKDZMHMVIVQK-UONOGXRCSA-N 3 0 245.370 1.505 20 0 BDADRP C1CCC([C@H]2C[NH2+]CC[C@H]2N[C@@H]2CC[NH2+]C2)C1 ZINC000925716593 646441591 /nfs/dbraw/zinc/44/15/91/646441591.db2.gz AUJRBTCSJJCNBV-MGPQQGTHSA-N 2 0 237.391 1.106 20 0 BDADRP C[C@@H]1CC[C@@H](N[C@@H]2CC[NH2+]C23CCC3)C[NH2+]1 ZINC000925717434 646442294 /nfs/dbraw/zinc/44/22/94/646442294.db2.gz JPIHGGNMPSVRLX-IJLUTSLNSA-N 2 0 223.364 1.001 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1C=CCC1 ZINC000925732112 646457010 /nfs/dbraw/zinc/45/70/10/646457010.db2.gz OJSWWNNOPFBQQM-AGIUHOORSA-N 2 0 208.349 1.930 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925738545 646459651 /nfs/dbraw/zinc/45/96/51/646459651.db2.gz YNYVCXNOTQRORW-JHJVBQTASA-N 2 0 238.375 1.676 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925738214 646460782 /nfs/dbraw/zinc/46/07/82/646460782.db2.gz WVESZDSLOLZRCD-RVMXOQNASA-N 2 0 240.391 1.907 20 0 BDADRP C[C@@H](NCCC(C)(C)[NH3+])[C@H]1CCCC[NH2+]1 ZINC000925739534 646462314 /nfs/dbraw/zinc/46/23/14/646462314.db2.gz YEDLJIBUDNGHIT-GHMZBOCLSA-N 2 0 213.369 1.234 20 0 BDADRP CC[C@@H]([NH2+]CCC(C)(C)[NH3+])c1cnn(C)c1 ZINC000925742192 646462402 /nfs/dbraw/zinc/46/24/02/646462402.db2.gz QBTDFOLNKSRFPO-LLVKDONJSA-N 2 0 224.352 1.588 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC2(CCC2)CO1 ZINC000925776053 646474927 /nfs/dbraw/zinc/47/49/27/646474927.db2.gz VAHSFNHCXCNDMO-XQQFMLRXSA-N 2 0 238.375 1.805 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H](C1CC1)C1CCC1 ZINC000925779904 646476888 /nfs/dbraw/zinc/47/68/88/646476888.db2.gz NOGNNNPPPGXODK-WQAKAFBOSA-N 2 0 208.349 1.763 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)CCO1 ZINC000925782494 646478608 /nfs/dbraw/zinc/47/86/08/646478608.db2.gz LWJMRPGEUMFRNK-VWYCJHECSA-N 2 0 248.317 1.388 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]C1CCC(C)(O)CC1 ZINC000925781784 646478894 /nfs/dbraw/zinc/47/88/94/646478894.db2.gz YOIBGTWIDXIACE-QKEWWQLBSA-N 2 0 214.353 1.395 20 0 BDADRP CC(C)[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)C1CC1 ZINC000925791734 646485090 /nfs/dbraw/zinc/48/50/90/646485090.db2.gz RQYAAQUFGRHCEI-KGYLQXTDSA-N 2 0 210.365 1.866 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000925798366 646487529 /nfs/dbraw/zinc/48/75/29/646487529.db2.gz WHQUBJLHBFAPHB-RQJABVFESA-N 2 0 239.407 1.352 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCOC[C@@H]1C ZINC000925803789 646488227 /nfs/dbraw/zinc/48/82/27/646488227.db2.gz VLJUUZNFNORZBW-XQHKEYJVSA-N 2 0 226.364 1.247 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000925803590 646488418 /nfs/dbraw/zinc/48/84/18/646488418.db2.gz RSIAEFZHSAYOGB-AAVRWANBSA-N 3 0 239.407 1.482 20 0 BDADRP Cc1nccnc1[C@@H](C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925802671 646488964 /nfs/dbraw/zinc/48/89/64/646488964.db2.gz HWRFBTVHIGSUGI-NQBHXWOUSA-N 2 0 248.374 1.681 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000925802771 646489084 /nfs/dbraw/zinc/48/90/84/646489084.db2.gz RANKEYSKYDNOEA-XQHKEYJVSA-N 2 0 208.349 1.892 20 0 BDADRP CC[C@H]([NH2+]CCN1CCC([NH3+])CC1)C(C)(C)C ZINC000925813401 646489746 /nfs/dbraw/zinc/48/97/46/646489746.db2.gz VAPYYSDRBDZDFI-ZDUSSCGKSA-N 2 0 241.423 1.824 20 0 BDADRP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccco1 ZINC000925808951 646490456 /nfs/dbraw/zinc/49/04/56/646490456.db2.gz FIWFNTXXTMNNFC-LLVKDONJSA-N 2 0 237.347 1.353 20 0 BDADRP [NH3+]C1CCN(CC[NH2+][C@H]2CC[C@H]2C2CC2)CC1 ZINC000925817600 646493712 /nfs/dbraw/zinc/49/37/12/646493712.db2.gz STXCXZPSDBBFNS-KBPBESRZSA-N 2 0 237.391 1.188 20 0 BDADRP C[NH+](C)CC[C@@H](N[C@H]1CC[NH2+]C1)c1cccnc1 ZINC000925826545 646498189 /nfs/dbraw/zinc/49/81/89/646498189.db2.gz HRRUGTMATWNWTG-UONOGXRCSA-N 2 0 248.374 1.026 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000925830116 646499081 /nfs/dbraw/zinc/49/90/81/646499081.db2.gz FNRSTHFDJRQOGN-XJFOESAGSA-N 2 0 238.375 1.663 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000925859500 646513265 /nfs/dbraw/zinc/51/32/65/646513265.db2.gz RMQIMSYRXWIPIL-TUAOUCFPSA-N 2 0 214.353 1.125 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000925859787 646513512 /nfs/dbraw/zinc/51/35/12/646513512.db2.gz SBUXKTXAFIJBND-FRRDWIJNSA-N 2 0 228.380 1.645 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000925879461 646529433 /nfs/dbraw/zinc/52/94/33/646529433.db2.gz FEIGGCXNDIKSTG-UMSGYPCISA-N 3 0 225.380 1.363 20 0 BDADRP CCn1ccnc1[C@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925880083 646529672 /nfs/dbraw/zinc/52/96/72/646529672.db2.gz NPFQYXSVJULYLI-TUAOUCFPSA-N 2 0 236.363 1.681 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCC[NH2+]C1 ZINC000925879347 646529843 /nfs/dbraw/zinc/52/98/43/646529843.db2.gz BUNRQMRJRSLYNZ-LPWJVIDDSA-N 3 0 225.380 1.092 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCCC[NH2+]1 ZINC000925880107 646529944 /nfs/dbraw/zinc/52/99/44/646529944.db2.gz ODKNLYZSTGQSKN-QNWHQSFQSA-N 3 0 225.380 1.234 20 0 BDADRP C[C@H]1COCC[C@@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925880631 646531440 /nfs/dbraw/zinc/53/14/40/646531440.db2.gz UWOQUDAQCSWHMY-USZNOCQGSA-N 2 0 212.337 1.128 20 0 BDADRP Cc1nccnc1[C@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925883321 646533024 /nfs/dbraw/zinc/53/30/24/646533024.db2.gz VCQOHIVWRMXEMH-TUAOUCFPSA-N 2 0 234.347 1.563 20 0 BDADRP C[C@H]([NH2+]C1([C@@H]2CCCCO2)CC1)[C@H]1CC[NH2+]C1 ZINC000925893201 646535312 /nfs/dbraw/zinc/53/53/12/646535312.db2.gz MZABUVHNUMVDDI-AVGNSLFASA-N 2 0 238.375 1.676 20 0 BDADRP COCC1([NH2+][C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000925924387 646542648 /nfs/dbraw/zinc/54/26/48/646542648.db2.gz SYGTZKUIKWLMEP-STQMWFEESA-N 2 0 238.375 1.772 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCSC1 ZINC000926323559 646615702 /nfs/dbraw/zinc/61/57/02/646615702.db2.gz JOUVYWDZSKWCSP-ACJTYDJDSA-N 2 0 240.416 1.669 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@@H]2CCSC2)C1 ZINC000723709267 711535756 /nfs/dbraw/zinc/53/57/56/711535756.db2.gz NJDOMGFIGZDQEQ-MNOVXSKESA-N 2 0 214.378 1.410 20 0 BDADRP C[C@@H]1CC[C@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000393826186 711679018 /nfs/dbraw/zinc/67/90/18/711679018.db2.gz OPVKKAFSDIPLGX-CHWSQXEVSA-N 2 0 225.380 1.012 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CCCCCCO ZINC000925633594 711706510 /nfs/dbraw/zinc/70/65/10/711706510.db2.gz FGYDXZVUFSPHBQ-LLVKDONJSA-N 2 0 214.353 1.269 20 0 BDADRP C[NH2+]C[C@H](C)N[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925718049 711713521 /nfs/dbraw/zinc/71/35/21/711713521.db2.gz VTJJZAXPFLFTDM-YUTCNCBUSA-N 2 0 239.407 1.352 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCC(C)(C)[NH3+])CCO1 ZINC000379517599 711796231 /nfs/dbraw/zinc/79/62/31/711796231.db2.gz AZGQCFUGAAXPHL-VHSXEESVSA-N 2 0 200.326 1.271 20 0 BDADRP COC[C@H](C[NH2+]CC1CC[NH+](C)CC1)C(C)C ZINC000721885890 711811330 /nfs/dbraw/zinc/81/13/30/711811330.db2.gz ZTBAABUHFPFYFM-AWEZNQCLSA-N 2 0 242.407 1.836 20 0 BDADRP COC[C@@H](C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1)C(C)C ZINC000721917854 711919443 /nfs/dbraw/zinc/91/94/43/711919443.db2.gz JSQKVZQSVLQSHD-HZSPNIEDSA-N 2 0 240.391 1.446 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC(F)CC2)C1 ZINC000701829623 712029879 /nfs/dbraw/zinc/02/98/79/712029879.db2.gz QOKRNAVRRLQXDB-GXSJLCMTSA-N 2 0 200.301 1.548 20 0 BDADRP C[C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000703805561 712089294 /nfs/dbraw/zinc/08/92/94/712089294.db2.gz KVCZRISKPQVIQY-ODWCKFRGSA-N 2 0 208.349 1.859 20 0 BDADRP COC1CC(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)C1 ZINC000703844842 712090652 /nfs/dbraw/zinc/09/06/52/712090652.db2.gz DCRXZPULRQKHLJ-VOBJUBJWSA-N 2 0 212.337 1.081 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC000708321759 712186372 /nfs/dbraw/zinc/18/63/72/712186372.db2.gz ACGBIZUZPUCNGT-YNEHKIRRSA-N 2 0 240.391 1.861 20 0 BDADRP C[C@H](O)[C@@H]1CCC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000709414401 712221405 /nfs/dbraw/zinc/22/14/05/712221405.db2.gz JHVCLUMBCUTJLR-GXTWGEPZSA-N 2 0 240.391 1.421 20 0 BDADRP C[C@@H]1C[C@@H](C)[N@H+](CCOC2CC2)C[C@@H]1C[NH3+] ZINC000711783848 712329705 /nfs/dbraw/zinc/32/97/05/712329705.db2.gz BOZDMWNANXTNAS-UTUOFQBUSA-N 2 0 226.364 1.471 20 0 BDADRP CN(C[C@H]1CCC2(CCC2)O1)C1(C[NH3+])CCC1 ZINC000712487932 712430999 /nfs/dbraw/zinc/43/09/99/712430999.db2.gz SSZXCFFHNLCFNA-GFCCVEGCSA-N 2 0 238.375 1.901 20 0 BDADRP C[N@@H+]1CCN(C[C@@]2(C)CC[NH2+]C2)CCC1(C)C ZINC000712609429 712437455 /nfs/dbraw/zinc/43/74/55/712437455.db2.gz OEFRSCLNXGVLPQ-AWEZNQCLSA-N 2 0 239.407 1.402 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@H]2CCC(C)(C)CO2)C1 ZINC000713585669 712466052 /nfs/dbraw/zinc/46/60/52/712466052.db2.gz KSMLQNWNSIQRDJ-QWHCGFSZSA-N 2 0 240.391 1.733 20 0 BDADRP C=C/C=C/CC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000713730608 712470597 /nfs/dbraw/zinc/47/05/97/712470597.db2.gz DBGIYVSFHUWHAJ-ITDFMYJTSA-N 2 0 206.333 1.804 20 0 BDADRP COC[C@H]1C[C@@H]([NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000714450227 712490255 /nfs/dbraw/zinc/49/02/55/712490255.db2.gz SNBNRSGYFPOWBM-BZPMIXESSA-N 2 0 240.391 1.731 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000714700786 712495583 /nfs/dbraw/zinc/49/55/83/712495583.db2.gz PXRYQQCFCFMZGX-CYDGBPFRSA-N 2 0 226.364 1.519 20 0 BDADRP C[N@H+](C[C@H]1CC[C@H](C2CC2)O1)CC(C)(C)C[NH3+] ZINC000715511585 712524575 /nfs/dbraw/zinc/52/45/75/712524575.db2.gz SLRJWRRBVSBLLX-CHWSQXEVSA-N 2 0 240.391 1.861 20 0 BDADRP C[C@@H]1NCCC[C@@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715560369 712528078 /nfs/dbraw/zinc/52/80/78/712528078.db2.gz BLKSOUDDHNYKOP-ABXWRUBCSA-N 2 0 239.407 1.589 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@H](C)CC2)CC[NH2+]1 ZINC000719777930 712824649 /nfs/dbraw/zinc/82/46/49/712824649.db2.gz JLMSCVWTCPEXBS-UPJWGTAASA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1C[C@H](O)C1 ZINC000720951049 712881895 /nfs/dbraw/zinc/88/18/95/712881895.db2.gz HBBLKIMRUJSFMP-YIYPIFLZSA-N 2 0 240.391 1.658 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H](CCO)C1CC1 ZINC000381431301 710636158 /nfs/dbraw/zinc/63/61/58/710636158.db2.gz BPEDKULMRUURPF-CHWSQXEVSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[C@@H]1C ZINC000381479504 710643449 /nfs/dbraw/zinc/64/34/49/710643449.db2.gz SDKVPGXRMXKYCC-YNEHKIRRSA-N 2 0 225.380 1.010 20 0 BDADRP CC[N@@H+]1CCC[C@@H](C[NH2+]C2CC(OC)C2)C1 ZINC000381483786 710644926 /nfs/dbraw/zinc/64/49/26/710644926.db2.gz UJTQLTHWHKYNEU-HIFPTAJRSA-N 2 0 226.364 1.485 20 0 BDADRP CCC[C@H](O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000381534991 710652977 /nfs/dbraw/zinc/65/29/77/710652977.db2.gz GLIUSNWWGOXYPE-XQQFMLRXSA-N 2 0 226.364 1.031 20 0 BDADRP C1=CC[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@@H]2C1 ZINC000381570711 710656437 /nfs/dbraw/zinc/65/64/37/710656437.db2.gz WZMXWHBCAGVIPG-OKILXGFUSA-N 2 0 220.360 1.884 20 0 BDADRP COC[C@H](C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1)C(C)C ZINC000721767205 710685098 /nfs/dbraw/zinc/68/50/98/710685098.db2.gz FKGQIYREGLFNSS-IHRRRGAJSA-N 2 0 242.407 1.822 20 0 BDADRP C[NH+](C)CCOCC[NH2+][C@H]1CC2CCC1CC2 ZINC000381901487 710758358 /nfs/dbraw/zinc/75/83/58/710758358.db2.gz CIEUQLFANHESQJ-RUXDESIVSA-N 2 0 240.391 1.733 20 0 BDADRP C[N@H+](CCC[NH3+])Cc1ccc2c(c1)COC2 ZINC000382087368 710775112 /nfs/dbraw/zinc/77/51/12/710775112.db2.gz VWPCRRIXKSXVSH-UHFFFAOYSA-N 2 0 220.316 1.497 20 0 BDADRP C[C@H]1[NH2+]CCC[C@@H]1N[C@H](CO)Cc1ccccc1 ZINC000396715166 710907888 /nfs/dbraw/zinc/90/78/88/710907888.db2.gz SQJYIWCODCKEKO-SNPRPXQTSA-N 2 0 248.370 1.320 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H](O)C(C)(C)C)C[C@@H]2C1 ZINC000383512403 710982770 /nfs/dbraw/zinc/98/27/70/710982770.db2.gz GZGMCNSDTDIDBU-FRRDWIJNSA-N 2 0 240.391 1.277 20 0 BDADRP c1cc(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)ccn1 ZINC000385614326 711015946 /nfs/dbraw/zinc/01/59/46/711015946.db2.gz OLFJHBJUYKJIPH-XPABHHOTSA-N 2 0 243.354 1.210 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@H](CO)C2CCCC2)CC1 ZINC000386137509 711023548 /nfs/dbraw/zinc/02/35/48/711023548.db2.gz PYQNYDLNNXIKLW-AWEZNQCLSA-N 2 0 240.391 1.469 20 0 BDADRP CCOCCCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000388356948 711059733 /nfs/dbraw/zinc/05/97/33/711059733.db2.gz BHSCUMPLMTVXBI-QSLWVIQJSA-N 2 0 238.375 1.389 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](CCCCCO)C[C@@H]2C1 ZINC000390288181 711111297 /nfs/dbraw/zinc/11/12/97/711111297.db2.gz XRVJKEFUONNUGZ-OLZOCXBDSA-N 2 0 226.364 1.033 20 0 BDADRP Cc1cc(CN2C[C@H]3C[NH2+]C[C@H]3C2)c(C)o1 ZINC000390464755 711119514 /nfs/dbraw/zinc/11/95/14/711119514.db2.gz HKEXHDLATGARSL-BETUJISGSA-N 2 0 220.316 1.548 20 0 BDADRP OCCCCCCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000390765901 711133910 /nfs/dbraw/zinc/13/39/10/711133910.db2.gz QNHKCMDPLYGKOR-STQMWFEESA-N 2 0 226.364 1.080 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ncc(Cl)n1C ZINC000393271125 711156253 /nfs/dbraw/zinc/15/62/53/711156253.db2.gz AEYONXSLYZRFIA-SECBINFHSA-N 2 0 244.770 1.681 20 0 BDADRP COC(=O)C1CC[NH+](CCCCCC[NH3+])CC1 ZINC000395501505 711211057 /nfs/dbraw/zinc/21/10/57/711211057.db2.gz KYGSAMQTIZPLKZ-UHFFFAOYSA-N 2 0 242.363 1.391 20 0 BDADRP CCCN1CC[C@@H]([NH2+]CC2CC[NH+](C)CC2)C1 ZINC000383076357 710950467 /nfs/dbraw/zinc/95/04/67/710950467.db2.gz RRSMOXQUMFQRTO-CQSZACIVSA-N 3 0 239.407 1.402 20 0 BDADRP C[N@H+](C[C@H](O)C1CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394330026 711190167 /nfs/dbraw/zinc/19/01/67/711190167.db2.gz OHRQYFYZINBXBU-PIGZVRMJSA-N 2 0 238.375 1.314 20 0 BDADRP CCC[N@H+](CC)CCN[C@@H]1CCC[NH2+][C@H]1C ZINC000396678043 711364585 /nfs/dbraw/zinc/36/45/85/711364585.db2.gz USEKGHZMXKFUCG-QWHCGFSZSA-N 2 0 227.396 1.448 20 0 BDADRP CC[C@H](C)[C@H](CN[C@@H]1CCC[NH2+][C@H]1C)OC ZINC000396724012 711364621 /nfs/dbraw/zinc/36/46/21/711364621.db2.gz VBIYEYQZLVQXMJ-RVMXOQNASA-N 2 0 228.380 1.778 20 0 BDADRP C[NH+]1CCC(C[NH2+]CC2=CCOCC2)CC1 ZINC000397889667 711395577 /nfs/dbraw/zinc/39/55/77/711395577.db2.gz RMEQZIBCJRAXEX-UHFFFAOYSA-N 2 0 224.348 1.265 20 0 BDADRP C([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C1CCC1 ZINC000382193040 711473937 /nfs/dbraw/zinc/47/39/37/711473937.db2.gz HYOWHSJXEMDYND-NWBUJAPZSA-N 2 0 206.333 1.373 20 0 BDADRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C2CSC2)C1 ZINC000307428579 711480079 /nfs/dbraw/zinc/48/00/79/711480079.db2.gz UEIPVOVGYVZGAT-KOLCDFICSA-N 2 0 214.378 1.564 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](Cc2cscn2)C1 ZINC000723691535 711534218 /nfs/dbraw/zinc/53/42/18/711534218.db2.gz PPNUFGQGWZQSGN-VIFPVBQESA-N 2 0 211.334 1.314 20 0 BDADRP CCc1nn(C)cc1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723670526 711533260 /nfs/dbraw/zinc/53/32/60/711533260.db2.gz UJUCJDDZHNRKSD-NSHDSACASA-N 2 0 236.363 1.153 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccncc2)C[C@H]1CC[NH3+] ZINC000723884642 711543295 /nfs/dbraw/zinc/54/32/95/711543295.db2.gz UQPOVEIDNYLSHR-DGCLKSJQSA-N 2 0 219.332 1.498 20 0 BDADRP C[C@@H]1C[N@H+](CCc2cccnc2)C[C@H]1CC[NH3+] ZINC000723908847 711544875 /nfs/dbraw/zinc/54/48/75/711544875.db2.gz KWJDRBICNZONTN-TZMCWYRMSA-N 2 0 233.359 1.541 20 0 BDADRP CCC(CC)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000382202533 711553411 /nfs/dbraw/zinc/55/34/11/711553411.db2.gz JOZPEPFKWIJJNK-XZPDDHLCSA-N 2 0 208.349 1.761 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)[C@H]1CCCOC1 ZINC000724013340 711555953 /nfs/dbraw/zinc/55/59/53/711555953.db2.gz QETODOALOSGDEU-GVXVVHGQSA-N 2 0 226.364 1.389 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CCC2(CCCC2)C1 ZINC000382378208 711559551 /nfs/dbraw/zinc/55/95/51/711559551.db2.gz DRMRXMBMCUTGLL-UHFFFAOYSA-N 2 0 212.337 1.228 20 0 BDADRP CO[C@@H]1CC[C@@H]1[N@H+](C)CCCC1CC[NH2+]CC1 ZINC000724155363 711565379 /nfs/dbraw/zinc/56/53/79/711565379.db2.gz LRQUREOSVXRWOZ-UONOGXRCSA-N 2 0 240.391 1.875 20 0 BDADRP C1=CCC(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000724204871 711570190 /nfs/dbraw/zinc/57/01/90/711570190.db2.gz JBFNVPLUYSCBKN-XPABHHOTSA-N 2 0 232.371 1.929 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)C(C)(C)CO ZINC000926573992 711653886 /nfs/dbraw/zinc/65/38/86/711653886.db2.gz RDXIELZMQUBJDN-QWHCGFSZSA-N 2 0 242.407 1.715 20 0 BDADRP CC1(C)[C@@H]([NH2+]C[C@H]2CCCO2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925502996 711692793 /nfs/dbraw/zinc/69/27/93/711692793.db2.gz MJKVLGJZSSXZSG-NDBYEHHHSA-N 2 0 238.375 1.532 20 0 BDADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ncc[nH]1 ZINC000925711820 711711156 /nfs/dbraw/zinc/71/11/56/711711156.db2.gz SHXQHORKBVTBDF-QWRGUYRKSA-N 2 0 222.336 1.593 20 0 BDADRP c1[nH]nc2c1[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)CCC2 ZINC000335018336 711719392 /nfs/dbraw/zinc/71/93/92/711719392.db2.gz FQYAERKMPQBKEO-CMPLNLGQSA-N 2 0 234.347 1.376 20 0 BDADRP [NH3+]C[C@@H]1C[N@H+](CCc2cccs2)CCCO1 ZINC000313374215 711721041 /nfs/dbraw/zinc/72/10/41/711721041.db2.gz KJUSTCDIJVGYTR-LLVKDONJSA-N 2 0 240.372 1.340 20 0 BDADRP CC[C@@H](O)CCC[NH2+]CC1CC[NH+](C)CC1 ZINC000398569250 711722330 /nfs/dbraw/zinc/72/23/30/711722330.db2.gz NXLKEICCVYEEAN-CYBMUJFWSA-N 2 0 228.380 1.469 20 0 BDADRP CC(C)[NH+]1CCC(N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000093210638 711726677 /nfs/dbraw/zinc/72/66/77/711726677.db2.gz KVJMXZGTHHPYBR-TZMCWYRMSA-N 2 0 239.407 1.719 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1C[C@H](OC)C1)[C@@H]1CCCC[NH2+]1 ZINC000925735868 711731751 /nfs/dbraw/zinc/73/17/51/711731751.db2.gz IYUYVZIDPLTYFP-XUXIUFHCSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@]12CSC[C@H]1C[N@H+](CCC[NH3+])C2 ZINC000725613743 711750264 /nfs/dbraw/zinc/75/02/64/711750264.db2.gz JNAFGGYPMGEYNL-ZJUUUORDSA-N 2 0 200.351 1.020 20 0 BDADRP Cc1ncc([C@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)c(C)n1 ZINC000925875883 711761773 /nfs/dbraw/zinc/76/17/73/711761773.db2.gz OMQMEJNFVDAALK-BIMULSAOSA-N 2 0 248.374 1.871 20 0 BDADRP CC[C@H](O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000227736948 711832751 /nfs/dbraw/zinc/83/27/51/711832751.db2.gz HUPBZFSDFNDFLZ-WDEREUQCSA-N 2 0 202.342 1.063 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@@H](N3CCCC3)C2)C1 ZINC000227801433 711832916 /nfs/dbraw/zinc/83/29/16/711832916.db2.gz KUJJRLKOBZMIKU-BFHYXJOUSA-N 2 0 237.391 1.284 20 0 BDADRP CC(C)N1CC[NH+](C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000232636567 711841031 /nfs/dbraw/zinc/84/10/31/711841031.db2.gz VMUKIPZQTZOJRD-ZIAGYGMSSA-N 2 0 239.407 1.401 20 0 BDADRP COC[C@H](C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1)C(C)C ZINC000721910915 711917596 /nfs/dbraw/zinc/91/75/96/711917596.db2.gz GPFONMATMDQTCT-AVGNSLFASA-N 2 0 228.380 1.574 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2(O)CCCC2)CC[N@@H+]1C ZINC000156301004 711938273 /nfs/dbraw/zinc/93/82/73/711938273.db2.gz VQDYKPIHOHQMRG-VXGBXAGGSA-N 2 0 226.364 1.364 20 0 BDADRP C[N@@H+]1CC[C@@H](NCC2OCCCO2)CC1(C)C ZINC000922281674 711966169 /nfs/dbraw/zinc/96/61/69/711966169.db2.gz XPDMBRZLKVLZQK-LLVKDONJSA-N 2 0 242.363 1.212 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]CC[C@@H](C)[NH+](C)C ZINC000700488293 711994647 /nfs/dbraw/zinc/99/46/47/711994647.db2.gz CZHAYYLNLSLOCO-OUAUKWLOSA-N 2 0 202.342 1.340 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCC[NH2+]C2)CCCO1 ZINC000700405958 711992197 /nfs/dbraw/zinc/99/21/97/711992197.db2.gz UOCVIOKPQWZAEK-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@H](CC[NH2+][C@H]1C[C@@H](C)O[C@@H]1C)[NH+](C)C ZINC000700468961 711993721 /nfs/dbraw/zinc/99/37/21/711993721.db2.gz IUQJKAFLXGQRMC-KKOKHZNYSA-N 2 0 214.353 1.482 20 0 BDADRP FC1(F)C[C@@H]1CC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000701936621 712032711 /nfs/dbraw/zinc/03/27/11/712032711.db2.gz UCZCTFZTFNYXLI-KUYXLPFXSA-N 2 0 242.313 1.618 20 0 BDADRP C[C@@H]([NH2+]C1CCC(C)(O)CC1)[C@H]1CCC[NH2+]C1 ZINC000703614203 712081496 /nfs/dbraw/zinc/08/14/96/712081496.db2.gz LWFBEQQJRVPNPZ-KBHBFKLGSA-N 2 0 240.391 1.658 20 0 BDADRP CC(C)(O)CC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000703619769 712081541 /nfs/dbraw/zinc/08/15/41/712081541.db2.gz UYSADFLVBHBFKV-GRYCIOLGSA-N 2 0 240.391 1.514 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](Cc2cncc(Cl)c2)C1 ZINC000703684539 712083697 /nfs/dbraw/zinc/08/36/97/712083697.db2.gz RIGCOHZOBLMLMD-JTQLQIEISA-N 2 0 239.750 1.906 20 0 BDADRP CO[C@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)C1 ZINC000706498485 712147154 /nfs/dbraw/zinc/14/71/54/712147154.db2.gz DLHFVCHZHUQVGW-HAQNSBGRSA-N 2 0 212.337 1.095 20 0 BDADRP CC(C)[C@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCS1 ZINC000707286407 712168830 /nfs/dbraw/zinc/16/88/30/712168830.db2.gz XTKPTIFXKUQJNM-GRYCIOLGSA-N 2 0 228.405 1.797 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CCC(C)(C)CO2)C[C@H]1C[NH3+] ZINC000708081054 712180997 /nfs/dbraw/zinc/18/09/97/712180997.db2.gz ONDWDWDFQDKTFU-JHJVBQTASA-N 2 0 240.391 1.718 20 0 BDADRP CCOC[C@@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000708269468 712185047 /nfs/dbraw/zinc/18/50/47/712185047.db2.gz DBAQUMADIGJCOF-UTUOFQBUSA-N 2 0 212.337 1.082 20 0 BDADRP C[NH2+]CCCN(C)C[C@@H]1CC(C)(C)CO1 ZINC000708341829 712188757 /nfs/dbraw/zinc/18/87/57/712188757.db2.gz WAGFTVKNUVNERR-NSHDSACASA-N 2 0 214.353 1.343 20 0 BDADRP CC1(C)CO[C@H](C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000708346403 712190358 /nfs/dbraw/zinc/19/03/58/712190358.db2.gz FFMYFYWEPSDWMN-FRRDWIJNSA-N 2 0 238.375 1.485 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+]CC2CC[NH+](C)CC2)C1 ZINC000708697462 712197695 /nfs/dbraw/zinc/19/76/95/712197695.db2.gz ICGGRJFHKPRMFC-BETUJISGSA-N 2 0 226.364 1.343 20 0 BDADRP CC(C)(C)[C@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000709018195 712206282 /nfs/dbraw/zinc/20/62/82/712206282.db2.gz HBHNFOLFEHZMNM-GRYCIOLGSA-N 2 0 226.364 1.471 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1CCSC1)[NH2+]2 ZINC000709430952 712221787 /nfs/dbraw/zinc/22/17/87/712221787.db2.gz QFIZJMKIQNFVGG-ROHXPCBUSA-N 2 0 226.389 1.611 20 0 BDADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCO[C@@H]1CC1(F)F)C2 ZINC000709882703 712230605 /nfs/dbraw/zinc/23/06/05/712230605.db2.gz QTZYXAZUZNYJNO-ZRUFSTJUSA-N 2 0 246.301 1.222 20 0 BDADRP C[C@H](CC1CCC1)[NH2+]CCN1CCC([NH3+])CC1 ZINC000710274323 712250170 /nfs/dbraw/zinc/25/01/70/712250170.db2.gz AQTOMKWFWQDEEQ-GFCCVEGCSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CCC3(CCC3)O2)CC[C@@H]1[NH3+] ZINC000711473224 712303266 /nfs/dbraw/zinc/30/32/66/712303266.db2.gz XZQBUPVAVADESA-UPJWGTAASA-N 2 0 238.375 1.757 20 0 BDADRP CC[NH+](CC)CCCN1[C@H](C)C[NH2+][C@H](C)[C@@H]1C ZINC000923435184 712322363 /nfs/dbraw/zinc/32/23/63/712322363.db2.gz FUUUOMCHXSZFNA-MCIONIFRSA-N 2 0 241.423 1.789 20 0 BDADRP C[N@H+](Cc1nccn1C1CC1)C1CCC([NH3+])CC1 ZINC000711807787 712328595 /nfs/dbraw/zinc/32/85/95/712328595.db2.gz OHJVZNXZTUDJOY-UHFFFAOYSA-N 2 0 248.374 1.920 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](CCC2SCCS2)C1 ZINC000923480302 712334268 /nfs/dbraw/zinc/33/42/68/712334268.db2.gz WSIQIFXCWVKECN-JTQLQIEISA-N 2 0 246.445 1.853 20 0 BDADRP Cc1ccc([C@@H](O)C[N@@H+]2CC[C@@H](CC[NH3+])C2)cc1 ZINC000923480364 712334969 /nfs/dbraw/zinc/33/49/69/712334969.db2.gz XUXLUVCSXBZRMU-HIFRSBDPSA-N 2 0 248.370 1.699 20 0 BDADRP C[NH+](C)CCC[NH2+][C@@H](C1CCC1)[C@H]1CCOC1 ZINC000711844082 712335132 /nfs/dbraw/zinc/33/51/32/712335132.db2.gz XJMWXVAEFCECBR-KBPBESRZSA-N 2 0 240.391 1.733 20 0 BDADRP CC(C)([NH3+])CC[NH2+]C[C@@H]1CCSC1 ZINC000379341929 712375406 /nfs/dbraw/zinc/37/54/06/712375406.db2.gz ASIKQQLRHFCKOL-VIFPVBQESA-N 2 0 202.367 1.457 20 0 BDADRP [NH3+]C[C@H]1CCC[N@H+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000712438261 712429692 /nfs/dbraw/zinc/42/96/92/712429692.db2.gz NURBPEZGRWNXPL-CHWSQXEVSA-N 2 0 238.375 1.759 20 0 BDADRP COCC(C)(C)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000712670717 712440480 /nfs/dbraw/zinc/44/04/80/712440480.db2.gz ARWBIQGOUYEVKC-NWDGAFQWSA-N 2 0 226.364 1.200 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCN1C)C1CC[NH+](C)CC1 ZINC000712559384 712445820 /nfs/dbraw/zinc/44/58/20/712445820.db2.gz TUEVKASNICVZJO-AAEUAGOBSA-N 2 0 225.380 1.010 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000713093474 712452501 /nfs/dbraw/zinc/45/25/01/712452501.db2.gz TYBOKGCPORMSBF-NZEXEKPDSA-N 2 0 236.359 1.271 20 0 BDADRP CC1(C)CCC[C@@H](C[N@@H+]2CC[C@H](C[NH3+])C2)O1 ZINC000714375664 712484407 /nfs/dbraw/zinc/48/44/07/712484407.db2.gz VWSGQDFUIHRVGP-NEPJUHHUSA-N 2 0 226.364 1.615 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H]2CCCC(C)(C)O2)C1 ZINC000714376443 712485075 /nfs/dbraw/zinc/48/50/75/712485075.db2.gz ZQGWNKULACRXAQ-STQMWFEESA-N 2 0 240.391 1.875 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000714630378 712488896 /nfs/dbraw/zinc/48/88/96/712488896.db2.gz LOYASJNASNJWHI-YHQUGGNUSA-N 2 0 238.375 1.389 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc[nH]c2=O)C12CCC2 ZINC000714967485 712502867 /nfs/dbraw/zinc/50/28/67/712502867.db2.gz SKBRKGLGIDQOMC-GHMZBOCLSA-N 2 0 233.315 1.147 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc[nH]c2=O)C12CCC2 ZINC000714967486 712503066 /nfs/dbraw/zinc/50/30/66/712503066.db2.gz SKBRKGLGIDQOMC-MNOVXSKESA-N 2 0 233.315 1.147 20 0 BDADRP C[N@H+](C[C@H]1CC[C@H](C2CC2)O1)C1CC([NH3+])C1 ZINC000715390819 712522324 /nfs/dbraw/zinc/52/23/24/712522324.db2.gz VFDXOADWKNEAAB-FIYWTHMPSA-N 2 0 224.348 1.366 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCCS1)C1C[NH2+]C1 ZINC000715642577 712529740 /nfs/dbraw/zinc/52/97/40/712529740.db2.gz KQRMYDMMNPCRCM-GXSJLCMTSA-N 2 0 214.378 1.470 20 0 BDADRP C[C@H](C[NH+]1CCCCC1)NC1CC[NH+](C)CC1 ZINC000037153462 712548143 /nfs/dbraw/zinc/54/81/43/712548143.db2.gz DVJKYBMZTZBRRC-CYBMUJFWSA-N 2 0 239.407 1.545 20 0 BDADRP CC1(C)CO[C@H](C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000717319110 712646762 /nfs/dbraw/zinc/64/67/62/712646762.db2.gz QKMVMGUKPBEQBH-AGIUHOORSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CC(C)(C)CO1)C1C[NH2+]C1 ZINC000717356901 712650503 /nfs/dbraw/zinc/65/05/03/712650503.db2.gz BCQUPTVHXZQQID-CMPLNLGQSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@](C[NH3+])([NH2+]C[C@H]1CC(C)(C)CO1)C1CC1 ZINC000717650949 712663048 /nfs/dbraw/zinc/66/30/48/712663048.db2.gz MFYXHVDDVARRRN-DGCLKSJQSA-N 2 0 226.364 1.519 20 0 BDADRP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@H]1CC(C)(C)CO1 ZINC000717653474 712663061 /nfs/dbraw/zinc/66/30/61/712663061.db2.gz WYYWMNGXZAASMY-YPMHNXCESA-N 2 0 228.380 1.765 20 0 BDADRP O[C@H](C[NH2+]CCc1ccccc1)C[NH+]1CCCC1 ZINC000037859674 712776168 /nfs/dbraw/zinc/77/61/68/712776168.db2.gz FRHWZMQAVXJYFC-OAHLLOKOSA-N 2 0 248.370 1.275 20 0 BDADRP CC[NH+]1CCC(N[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000719626566 712813845 /nfs/dbraw/zinc/81/38/45/712813845.db2.gz SYJBJGCSCNDBAG-DGCLKSJQSA-N 2 0 225.380 1.153 20 0 BDADRP C[C@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000719667327 712818024 /nfs/dbraw/zinc/81/80/24/712818024.db2.gz KWWCWQHQMALNJF-RYUDHWBXSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@]1(C[NH3+])CC[N@H+](CCc2ccns2)C1 ZINC000719831466 712823655 /nfs/dbraw/zinc/82/36/55/712823655.db2.gz KROVBEVKYCLBTR-NSHDSACASA-N 2 0 225.361 1.356 20 0 BDADRP COC(C)(C)[C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C ZINC000720184371 712828970 /nfs/dbraw/zinc/82/89/70/712828970.db2.gz KTLPDJWUZCJOTD-VXGBXAGGSA-N 2 0 246.395 1.091 20 0 BDADRP C[N@@H+]1CCC[C@H]2[C@H]1CCN2c1cc[nH+]c(CO)c1 ZINC000720483279 712846844 /nfs/dbraw/zinc/84/68/44/712846844.db2.gz JHLRRHIIHXVWPG-KGLIPLIRSA-N 2 0 247.342 1.247 20 0 BDADRP Cc1cc(C[N@@H+](C)C2CCC([NH3+])CC2)c(C)nn1 ZINC000720567298 712852099 /nfs/dbraw/zinc/85/20/99/712852099.db2.gz ODPCKCXQIRNZMZ-UHFFFAOYSA-N 2 0 248.374 1.795 20 0 BDADRP [NH3+]C[C@H]1C[N@H+](CC2CCC2)C[C@@H]1C(F)(F)F ZINC000720874697 712872754 /nfs/dbraw/zinc/87/27/54/712872754.db2.gz ZDAWAWPBVWRCHG-UWVGGRQHSA-N 2 0 236.281 1.856 20 0 BDADRP COCOCCC[N@H+](C)CC1CC[NH+](C)CC1 ZINC001209028730 957284611 /nfs/dbraw/zinc/28/46/11/957284611.db2.gz DIRHCTOIWDUORG-UHFFFAOYSA-N 2 0 244.379 1.271 20 0 BDADRP Cc1c[nH+]c(N2CCC(C[NH+](C)C)CC2)cc1N ZINC000133119227 721948514 /nfs/dbraw/zinc/94/85/14/721948514.db2.gz SSCSQDFUIVDRPV-UHFFFAOYSA-N 2 0 248.374 1.750 20 0 BDADRP C[C@@H](C[NH+]1CCCC1)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000399023515 958483084 /nfs/dbraw/zinc/48/30/84/958483084.db2.gz GITDNEJFVFLLQH-AGIUHOORSA-N 2 0 225.380 1.201 20 0 BDADRP COC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000709392911 960553366 /nfs/dbraw/zinc/55/33/66/960553366.db2.gz SOMAPVXKCPNYPE-HNGCFSAESA-N 2 0 224.348 1.284 20 0 BDADRP CCC[NH2+]C[C@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC001268010508 960729508 /nfs/dbraw/zinc/72/95/08/960729508.db2.gz ORGKEJAOSICAGP-RYUDHWBXSA-N 2 0 243.395 1.079 20 0 BDADRP C[NH+]1CCC(C[NH2+]C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000227612401 960769995 /nfs/dbraw/zinc/76/99/95/960769995.db2.gz ROHWITTWBLZJMX-UONOGXRCSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@@H]1CC[C@H](NCC[NH+]2CCCCCC2)C[NH2+]1 ZINC000399006221 961058621 /nfs/dbraw/zinc/05/86/21/961058621.db2.gz YLRAHWJDZAPSCW-KGLIPLIRSA-N 2 0 239.407 1.593 20 0 BDADRP CC[NH2+][C@H](CNC(=O)CC[N@H+](C)CC)C(C)C ZINC001482562019 963752364 /nfs/dbraw/zinc/75/23/64/963752364.db2.gz HCVXOLHWDPBDEN-GFCCVEGCSA-N 2 0 243.395 1.079 20 0 BDADRP COCC[C@@H](C)[NH2+]CC[C@@H](C)[NH+](C)C ZINC000697869955 964594445 /nfs/dbraw/zinc/59/44/45/964594445.db2.gz KNOSDDLXFRFYTQ-GHMZBOCLSA-N 2 0 202.342 1.341 20 0 BDADRP Cc1cc(C)[nH+]c(N2CC[C@@H]([NH3+])C(F)(F)C2)c1 ZINC001166959221 966484464 /nfs/dbraw/zinc/48/44/64/966484464.db2.gz BHVTZPBLYHFWOG-SNVBAGLBSA-N 2 0 241.285 1.871 20 0 BDADRP CCC1(Nc2[nH+]ccc(N)c2C)C[NH2+]C1 ZINC001168580711 966910623 /nfs/dbraw/zinc/91/06/23/966910623.db2.gz NEYRXQDCYHWTIA-UHFFFAOYSA-N 2 0 206.293 1.136 20 0 BDADRP [NH3+]C[C@]1(F)CCC[N@H+](CC2CCOCC2)CC1 ZINC001205536929 967675016 /nfs/dbraw/zinc/67/50/16/967675016.db2.gz CIVAFWJGCJYIIB-ZDUSSCGKSA-N 2 0 244.354 1.566 20 0 BDADRP C[C@H]1CC[N@H+](CCCC[NH3+])CC[C@]1(C)O ZINC001205539374 967677444 /nfs/dbraw/zinc/67/74/44/967677444.db2.gz XSSBCAWHLGCZKQ-RYUDHWBXSA-N 2 0 214.353 1.208 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CCC[C@@H]1C[NH3+] ZINC001205984994 967927868 /nfs/dbraw/zinc/92/78/68/967927868.db2.gz URFOHJMVQLZXGF-JHJVBQTASA-N 2 0 226.364 1.472 20 0 BDADRP C[C@@H](C[NH+](C)C)Nc1ccc(C[NH+](C)C)cn1 ZINC001163771825 968114732 /nfs/dbraw/zinc/11/47/32/968114732.db2.gz GLEFCHULBOZKBA-NSHDSACASA-N 2 0 236.363 1.505 20 0 BDADRP CCCC[NH+]1CCC(C[NH2+]C[C@H](O)CC)CC1 ZINC001251814064 968347887 /nfs/dbraw/zinc/34/78/87/968347887.db2.gz NAXBWLHLBPNKHK-CQSZACIVSA-N 2 0 242.407 1.859 20 0 BDADRP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@@H](O)CC1 ZINC001207275247 968707128 /nfs/dbraw/zinc/70/71/28/968707128.db2.gz LGRRWGDMFSKLTD-GFCCVEGCSA-N 2 0 228.380 1.421 20 0 BDADRP C[C@H]1C[N@H+](CC(C)(C)C[NH+](C)C)CC[C@H]1O ZINC001207276298 968709705 /nfs/dbraw/zinc/70/97/05/968709705.db2.gz VCHNPHOWKPYTID-NWDGAFQWSA-N 2 0 228.380 1.277 20 0 BDADRP C[NH+](C)CC(C)(C)C[N@@H+]1CC[C@@](C)(O)C1 ZINC001207279328 968711495 /nfs/dbraw/zinc/71/14/95/968711495.db2.gz KPLVWTPLDFOXGG-GFCCVEGCSA-N 2 0 214.353 1.031 20 0 BDADRP C[C@@H]1CC[N@H+](CCC2CC[NH+](C)CC2)C[C@@H]1O ZINC001207480142 968799889 /nfs/dbraw/zinc/79/98/89/968799889.db2.gz UVRHKNBSSJUJRS-OCCSQVGLSA-N 2 0 240.391 1.421 20 0 BDADRP C[NH+]1CCC(CC[N@@H+]2CCC3(COC3)C2)CC1 ZINC001207481409 968797445 /nfs/dbraw/zinc/79/74/45/968797445.db2.gz FURURESUPLSAJQ-UHFFFAOYSA-N 2 0 238.375 1.441 20 0 BDADRP CCC[N@H+](CCC[NH+](C)C)CC1(C)COC1 ZINC001207800822 968889447 /nfs/dbraw/zinc/88/94/47/968889447.db2.gz XGBIFCNKAPUIQT-UHFFFAOYSA-N 2 0 228.380 1.687 20 0 BDADRP CCC[C@H](O)C[NH+]1C[C@@H]2C[NH+](CCC)C[C@H]2C1 ZINC001252789037 968964129 /nfs/dbraw/zinc/96/41/29/968964129.db2.gz GYBHPTXQZSREBJ-IHRRRGAJSA-N 2 0 240.391 1.421 20 0 BDADRP CCC[C@@H](O)C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC001252798588 968980883 /nfs/dbraw/zinc/98/08/83/968980883.db2.gz CFFHJEMNIFGJEP-CHWSQXEVSA-N 2 0 228.380 1.469 20 0 BDADRP CCC[C@H](O)C[NH2+][C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001252805334 968993075 /nfs/dbraw/zinc/99/30/75/968993075.db2.gz HHHITCBEJSEIOD-AVGNSLFASA-N 2 0 228.380 1.610 20 0 BDADRP C[NH+]1CCC(C)(C[N@@H+]2CC[C@@H](F)C2)CC1 ZINC001208107067 969001567 /nfs/dbraw/zinc/00/15/67/969001567.db2.gz NANWUQAJTAOVJM-LLVKDONJSA-N 2 0 214.328 1.762 20 0 BDADRP CC[NH+](CC)C[C@H](O)C[NH2+]C(C(C)C)C(C)C ZINC001253209063 969113902 /nfs/dbraw/zinc/11/39/02/969113902.db2.gz WTBYXSOTMFBTRT-CYBMUJFWSA-N 2 0 244.423 1.959 20 0 BDADRP CO[C@H]1CCC[N@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208605026 969154367 /nfs/dbraw/zinc/15/43/67/969154367.db2.gz WRUFQMIFOZCDPI-STQMWFEESA-N 2 0 226.364 1.439 20 0 BDADRP CN(CCC[NH+](C)C)C[C@@H]1CCC[N@H+](C)C1 ZINC001208603306 969156594 /nfs/dbraw/zinc/15/65/94/969156594.db2.gz AWJSDLSZWLAYLU-CYBMUJFWSA-N 2 0 227.396 1.212 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH+]2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC001208607973 969160761 /nfs/dbraw/zinc/16/07/61/969160761.db2.gz DVTSPLTXXBCWRK-RWMBFGLXSA-N 2 0 222.376 1.916 20 0 BDADRP COC[C@@H]1CC[N@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208606886 969166273 /nfs/dbraw/zinc/16/62/73/969166273.db2.gz ISJKHNQUTYOZEV-CHWSQXEVSA-N 2 0 226.364 1.297 20 0 BDADRP CO[C@@H](C)C1C[NH+](C[C@@H]2CCC[N@H+](C)C2)C1 ZINC001208616565 969170432 /nfs/dbraw/zinc/17/04/32/969170432.db2.gz KFVSRPZORIOAKR-NWDGAFQWSA-N 2 0 226.364 1.295 20 0 BDADRP CCCCC[C@H](O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001253537597 969211623 /nfs/dbraw/zinc/21/16/23/969211623.db2.gz ZUDKURYGLQCOTH-MJBXVCDLSA-N 2 0 240.391 1.421 20 0 BDADRP CCOC(C)(C)C[N@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001209078911 969350673 /nfs/dbraw/zinc/35/06/73/969350673.db2.gz ORRBKSMLLCNECO-BETUJISGSA-N 2 0 240.391 1.685 20 0 BDADRP CCCC[N@H+](C)CCC[NH2+]C[C@H](O)C(C)C ZINC001253778459 969398596 /nfs/dbraw/zinc/39/85/96/969398596.db2.gz PMDQTKBBWQOPLP-ZDUSSCGKSA-N 2 0 230.396 1.715 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH+]2CC[C@H](O)[C@@H](F)CC2)CC1 ZINC001254515694 969689174 /nfs/dbraw/zinc/68/91/74/969689174.db2.gz AZOZPRRXHWTLDN-AVGNSLFASA-N 2 0 244.354 1.266 20 0 BDADRP C[N@H+]([C@H]1CC[C@H](O)CC1)[C@@H]1CCC[NH+](C)CC1 ZINC001254518560 969695622 /nfs/dbraw/zinc/69/56/22/969695622.db2.gz BZUOPDJAGVRUIT-MGPQQGTHSA-N 2 0 240.391 1.706 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH+]2CCC3(COC3)C2)CC1 ZINC001254521873 969708554 /nfs/dbraw/zinc/70/85/54/969708554.db2.gz ZHJQLKWJUBMDLJ-LBPRGKRZSA-N 2 0 224.348 1.193 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH+]2CCC3(COC3)C2)CC1 ZINC001254521872 969712478 /nfs/dbraw/zinc/71/24/78/969712478.db2.gz ZHJQLKWJUBMDLJ-GFCCVEGCSA-N 2 0 224.348 1.193 20 0 BDADRP Cc1[nH+]ccc(NCC[C@H]2CCC[NH2+]2)c1F ZINC001169568508 969767306 /nfs/dbraw/zinc/76/73/06/969767306.db2.gz AZKRTVLZLGDTFZ-SNVBAGLBSA-N 2 0 223.295 1.505 20 0 BDADRP CCOC(=O)[C@@H]1CCC[C@H]([NH2+]C2CC([NH3+])C2)C1 ZINC001255353875 970121778 /nfs/dbraw/zinc/12/17/78/970121778.db2.gz PYUXMWBPHGOHOZ-ZYGVAYEYSA-N 2 0 240.347 1.188 20 0 BDADRP CC[NH+](CC)[C@@H]1CCN([C@H]2CC[N@H+](C)C2)C1 ZINC001255439035 970171995 /nfs/dbraw/zinc/17/19/95/970171995.db2.gz QCFHCBXYMUGWLN-QWHCGFSZSA-N 2 0 225.380 1.107 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC001255949854 970580691 /nfs/dbraw/zinc/58/06/91/970580691.db2.gz BUDOJMOQWUPZDG-YNEHKIRRSA-N 2 0 242.407 1.856 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N(C)C(C)(C)C[NH3+] ZINC001255948803 970582703 /nfs/dbraw/zinc/58/27/03/970582703.db2.gz PVCZPRKIXMKDDC-LBPRGKRZSA-N 2 0 229.412 1.776 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]CCC1OCCO1 ZINC001255947552 970583212 /nfs/dbraw/zinc/58/32/12/970583212.db2.gz SFBNVNACFWDURZ-GFCCVEGCSA-N 2 0 244.379 1.459 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC001255949852 970583296 /nfs/dbraw/zinc/58/32/96/970583296.db2.gz BUDOJMOQWUPZDG-XQQFMLRXSA-N 2 0 242.407 1.856 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N1CCC[N@H+](C)CC1 ZINC001255955394 970585805 /nfs/dbraw/zinc/58/58/05/970585805.db2.gz SBXITTZWWQKOPB-CQSZACIVSA-N 2 0 241.423 1.744 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]CCN1CCC1 ZINC001255951571 970587835 /nfs/dbraw/zinc/58/78/35/970587835.db2.gz QLYZGWSKJPSTHA-ZDUSSCGKSA-N 2 0 227.396 1.402 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCCC[C@H]1CO ZINC001255955912 970595567 /nfs/dbraw/zinc/59/55/67/970595567.db2.gz XQBCWCWUIFBMBY-KGLIPLIRSA-N 2 0 242.407 1.954 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC[C@H]1CO ZINC001255958064 970598170 /nfs/dbraw/zinc/59/81/70/970598170.db2.gz YECSTJSNPVKOGO-OLZOCXBDSA-N 2 0 228.380 1.564 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@H](O)C[C@H]1C ZINC001255963143 970602820 /nfs/dbraw/zinc/60/28/20/970602820.db2.gz CYWHUIOAVODXEB-MJBXVCDLSA-N 2 0 242.407 1.952 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N1CC[N@H+](C)[C@H](C)C1 ZINC001255964096 970603478 /nfs/dbraw/zinc/60/34/78/970603478.db2.gz OLDWTVVYIYFXGP-UONOGXRCSA-N 2 0 241.423 1.743 20 0 BDADRP C[C@H]([NH3+])c1ccn(C2CC[NH+](C)CC2)n1 ZINC001256196326 970692397 /nfs/dbraw/zinc/69/23/97/970692397.db2.gz JAHOKENXUFLZAO-VIFPVBQESA-N 2 0 208.309 1.170 20 0 BDADRP CC[NH+](CC)C1CCC([NH2+]CC2(O)CC2)CC1 ZINC001173103394 975021133 /nfs/dbraw/zinc/02/11/33/975021133.db2.gz AQXFFFXZCDEIIO-UHFFFAOYSA-N 2 0 240.391 1.754 20 0 BDADRP CCSC[C@@H](C)N(CC[NH3+])C(C)C ZINC001173291009 975261685 /nfs/dbraw/zinc/26/16/85/975261685.db2.gz HZYIXXJVRUNYIO-SNVBAGLBSA-N 2 0 204.383 1.797 20 0 BDADRP CC[N@@H+]1CC[C@H](N2CC[NH+](CC(C)C)CC2)C1 ZINC001173364352 975335579 /nfs/dbraw/zinc/33/55/79/975335579.db2.gz QUHYEEYNZCMWQC-AWEZNQCLSA-N 2 0 239.407 1.354 20 0 BDADRP COC(=O)CCCC[C@H](C)[NH2+]C1CC([NH3+])C1 ZINC001173441910 975376695 /nfs/dbraw/zinc/37/66/95/975376695.db2.gz XVGSFUXSSDJONR-WHXUTIOJSA-N 2 0 228.336 1.188 20 0 BDADRP C[NH2+]C[C@H](C)CNC[C@@H]([NH3+])CCC(C)(C)C ZINC001336284708 977615126 /nfs/dbraw/zinc/61/51/26/977615126.db2.gz BUSISZPFHFWLPR-RYUDHWBXSA-N 2 0 229.412 1.585 20 0 BDADRP Cc1csc(C[C@H]2CCN(C[C@H](C)[NH3+])C2)n1 ZINC001339934731 978943790 /nfs/dbraw/zinc/94/37/90/978943790.db2.gz XBWQBEOQANPCCE-GXSJLCMTSA-N 2 0 239.388 1.663 20 0 BDADRP OCCC[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235232512 979000413 /nfs/dbraw/zinc/00/04/13/979000413.db2.gz JWZGQCYICXMEIV-ZDUSSCGKSA-N 2 0 226.364 1.223 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235422808 979042000 /nfs/dbraw/zinc/04/20/00/979042000.db2.gz DRDVCCMZTYEAFB-UONOGXRCSA-N 3 0 239.407 1.437 20 0 BDADRP C[NH+]1CCC(C)(CN2C[C@@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001235980960 979263796 /nfs/dbraw/zinc/26/37/96/979263796.db2.gz SQOCATRWCNZMMI-GXTWGEPZSA-N 2 0 237.391 1.141 20 0 BDADRP CCCC[C@H]1CN(C[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001236134336 979402172 /nfs/dbraw/zinc/40/21/72/979402172.db2.gz ANSXMSYTPFCSNH-KGLIPLIRSA-N 2 0 239.407 1.450 20 0 BDADRP C[C@@H]([NH3+])CN(CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236458748 979598189 /nfs/dbraw/zinc/59/81/89/979598189.db2.gz XOBZYAHPEVIEAP-LLVKDONJSA-N 2 0 227.396 1.434 20 0 BDADRP CC(C)C[N@H+](CCC1C[NH2+]C1)[C@@H]1CCCNC1 ZINC001236473460 979604372 /nfs/dbraw/zinc/60/43/72/979604372.db2.gz IZNQTTIGYHXPOK-CQSZACIVSA-N 2 0 239.407 1.306 20 0 BDADRP Cc1[nH+]cn(C)c1Nc1cc[nH+]c(N)c1 ZINC001206536181 979618659 /nfs/dbraw/zinc/61/86/59/979618659.db2.gz YDUYVYUVHGYOTJ-UHFFFAOYSA-N 2 0 203.249 1.449 20 0 BDADRP CC[C@H]([NH3+])CN(C)CC1(C[NH+](C)C)CCCC1 ZINC001236859855 979767614 /nfs/dbraw/zinc/76/76/14/979767614.db2.gz NWHLODZJVMBXBS-ZDUSSCGKSA-N 2 0 241.423 1.778 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)NC[C@@H]1CCC[NH2+]CC1 ZINC001342859278 979920383 /nfs/dbraw/zinc/92/03/83/979920383.db2.gz RPVIBJLANNEZIV-DGCLKSJQSA-N 2 0 241.379 1.010 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+]CC2(OC)CCC2)C1 ZINC001349608278 981594395 /nfs/dbraw/zinc/59/43/95/981594395.db2.gz KAOATICKNNXSHH-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCCC[NH3+])C1 ZINC001350959183 982136731 /nfs/dbraw/zinc/13/67/31/982136731.db2.gz WXYOZMGTIYYVGA-WDEREUQCSA-N 3 0 213.369 1.221 20 0 BDADRP C[NH+](C)C1CCC([NH2+]CC2(C)OCCO2)CC1 ZINC000716904609 983066039 /nfs/dbraw/zinc/06/60/39/983066039.db2.gz YUUALNBSARWBRM-UHFFFAOYSA-N 2 0 242.363 1.212 20 0 BDADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001354424493 983305642 /nfs/dbraw/zinc/30/56/42/983305642.db2.gz QKHZUYRNMQNLTK-QCNOEVLYSA-N 2 0 241.379 1.007 20 0 BDADRP CC1(CN2CCCC[C@@H]([NH3+])C2)CC[NH2+]CC1 ZINC001205922934 983321315 /nfs/dbraw/zinc/32/13/15/983321315.db2.gz DUGWTRPYMUDMIJ-GFCCVEGCSA-N 2 0 225.380 1.189 20 0 BDADRP CC(C)C[C@@H](C)[NH+]1CCC2(CC1)C[NH2+]CCO2 ZINC001575531586 984126066 /nfs/dbraw/zinc/12/60/66/984126066.db2.gz SSKVUVTWQRQYBP-CYBMUJFWSA-N 2 0 240.391 1.875 20 0 BDADRP COC(=O)CC[C@H](C)[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246548328 972680782 /nfs/dbraw/zinc/68/07/82/972680782.db2.gz FXUDATRRRYWLJT-WCQYABFASA-N 2 0 242.363 1.531 20 0 BDADRP CN1CCC[C@@H]([N@@H+]2CCC[C@](F)(C[NH3+])CC2)C1 ZINC001246553496 972750276 /nfs/dbraw/zinc/75/02/76/972750276.db2.gz YPFYJCYWAIVVFF-CHWSQXEVSA-N 2 0 243.370 1.234 20 0 BDADRP CCC[C@@H](C)[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246559939 972786142 /nfs/dbraw/zinc/78/61/42/972786142.db2.gz OGXYXCCIYOEZOH-VXGBXAGGSA-N 2 0 214.353 1.351 20 0 BDADRP C[N@@H+]1CCC[C@H](N2CC[C@@H]([NH3+])[C@H](F)CC2)CC1 ZINC001246588516 972988750 /nfs/dbraw/zinc/98/87/50/972988750.db2.gz QJLNWZGGLYYZQX-YNEHKIRRSA-N 2 0 243.370 1.232 20 0 BDADRP CCOC(=O)[C@@H]1CC[N@@H+]([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246814999 973115097 /nfs/dbraw/zinc/11/50/97/973115097.db2.gz BIRZVLPKYKSCNS-UTUOFQBUSA-N 2 0 240.347 1.012 20 0 BDADRP CCCC(CCC)[N@@H+]1C[C@@H](N)[C@@H](C(=O)OC)C1 ZINC001246929997 973569656 /nfs/dbraw/zinc/56/96/56/973569656.db2.gz JGNVGFDZZJTLCW-NWDGAFQWSA-N 2 0 242.363 1.387 20 0 BDADRP CCOC1CCC(NC(=[NH2+])SCC[NH3+])CC1 ZINC001256431148 970832632 /nfs/dbraw/zinc/83/26/32/970832632.db2.gz QJXQAXADCYWMRR-UHFFFAOYSA-N 2 0 245.392 1.550 20 0 BDADRP CC(C)(C)[NH+]1CCC([NH2+]C2CC(O)C2)CC1 ZINC001256555273 970858603 /nfs/dbraw/zinc/85/86/03/970858603.db2.gz TUJGASAXFLVQQY-UHFFFAOYSA-N 2 0 226.364 1.362 20 0 BDADRP CC(C)(C)[NH+]1CCC(n2nncc2C[NH3+])CC1 ZINC001256562499 970861478 /nfs/dbraw/zinc/86/14/78/970861478.db2.gz WLOQRBQVDKTSTH-UHFFFAOYSA-N 2 0 237.351 1.172 20 0 BDADRP CO[C@@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001256621027 970886711 /nfs/dbraw/zinc/88/67/11/970886711.db2.gz IPKBERFUHPEWEF-QNMSZWNNSA-N 2 0 238.375 1.722 20 0 BDADRP CC(C)CC[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC000403245905 970897629 /nfs/dbraw/zinc/89/76/29/970897629.db2.gz RBSYLONCHVOMSD-JTQLQIEISA-N 2 0 220.307 1.948 20 0 BDADRP CCCC[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129949995 970899325 /nfs/dbraw/zinc/89/93/25/970899325.db2.gz NNVOAFZQZBHJIJ-LBPRGKRZSA-N 2 0 243.395 1.079 20 0 BDADRP CC[N@H+](C)C1CCC([NH+]2CCOCC2)CC1 ZINC001256688796 970920019 /nfs/dbraw/zinc/92/00/19/970920019.db2.gz KQMQDRKVPFOAFF-UHFFFAOYSA-N 2 0 226.364 1.582 20 0 BDADRP C1CC[NH+](C2CCC([NH+]3CCOCC3)CC2)C1 ZINC001256688860 970920825 /nfs/dbraw/zinc/92/08/25/970920825.db2.gz MZEWQRHNQXSBIQ-UHFFFAOYSA-N 2 0 238.375 1.726 20 0 BDADRP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000403442252 970945541 /nfs/dbraw/zinc/94/55/41/970945541.db2.gz CZTJHAFQANYKTE-POQQGIQPSA-N 2 0 220.360 1.716 20 0 BDADRP [NH3+]CC1([NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)CC1 ZINC001256804076 970991031 /nfs/dbraw/zinc/99/10/31/970991031.db2.gz LOHWHJMNUPNCES-KGLIPLIRSA-N 2 0 246.354 1.988 20 0 BDADRP CC(C)N(c1cc(N)cc[nH+]1)[C@@H]1CC[NH2+]C1 ZINC001158023165 971023111 /nfs/dbraw/zinc/02/31/11/971023111.db2.gz UOBFORGPENWGQA-LLVKDONJSA-N 2 0 220.320 1.241 20 0 BDADRP CN(OCC[NH3+])[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256902462 971023177 /nfs/dbraw/zinc/02/31/77/971023177.db2.gz VDNHYYWEJQJHOM-CYBMUJFWSA-N 2 0 241.379 1.216 20 0 BDADRP COC(=O)[C@@H]1CC[C@H]([NH+]2CCC(C)([NH3+])CC2)C1 ZINC001170519781 971083765 /nfs/dbraw/zinc/08/37/65/971083765.db2.gz OTZQPTNVPQVHSI-MNOVXSKESA-N 2 0 240.347 1.141 20 0 BDADRP CC(C)[NH+]1CCC(n2ccc(C[NH3+])n2)CC1 ZINC001257204885 971123740 /nfs/dbraw/zinc/12/37/40/971123740.db2.gz SBAZWDIGXFKSLJ-UHFFFAOYSA-N 2 0 222.336 1.387 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2ccc(O)cc2F)CC1 ZINC000404104018 971127367 /nfs/dbraw/zinc/12/73/67/971127367.db2.gz GZJOZMUOSUGWPM-UHFFFAOYSA-N 2 0 238.306 1.702 20 0 BDADRP CC(C)[NH+]1CCC([NH+]2CCC(C)(O)CC2)CC1 ZINC001257212814 971128737 /nfs/dbraw/zinc/12/87/37/971128737.db2.gz AFGUMBRKQCPGTF-UHFFFAOYSA-N 2 0 240.391 1.706 20 0 BDADRP COC[C@H]1CC[N@@H+](C2CC[NH+](C(C)C)CC2)C1 ZINC001257215708 971134464 /nfs/dbraw/zinc/13/44/64/971134464.db2.gz XNQZKMCYMLWHSH-ZDUSSCGKSA-N 2 0 240.391 1.828 20 0 BDADRP Cc1cccnc1N[C@@H](C)[C@H]1C[NH2+]CCO1 ZINC001170558866 971169308 /nfs/dbraw/zinc/16/93/08/971169308.db2.gz SCCZXFQYSGETII-WDEREUQCSA-N 2 0 221.304 1.179 20 0 BDADRP CCc1cc(N2C[C@@H](C)[NH2+][C@@H](C)C2)cc[nH+]1 ZINC000307768942 971174072 /nfs/dbraw/zinc/17/40/72/971174072.db2.gz AMNWHGKUAIWPKX-PHIMTYICSA-N 2 0 219.332 1.831 20 0 BDADRP CC1(C)[C@H]([NH2+]CCSC(F)(F)F)C[C@@H]1[NH3+] ZINC000404758076 971182008 /nfs/dbraw/zinc/18/20/08/971182008.db2.gz GRLRNTDNPPHWHF-NKWVEPMBSA-N 2 0 242.310 1.955 20 0 BDADRP CCC[C@@H](C)N(CC[NH3+])CC[NH+](CC)CC ZINC001257308068 971200223 /nfs/dbraw/zinc/20/02/23/971200223.db2.gz FIEJOYMJDFFGHL-CYBMUJFWSA-N 2 0 229.412 1.778 20 0 BDADRP [NH3+][C@@H]1C[C@H](N[C@H]2CC[N@@H+]3CCCC[C@H]23)C12CCC2 ZINC000405222615 971213824 /nfs/dbraw/zinc/21/38/24/971213824.db2.gz NFOLSOXBKAOUMV-DGAVXFQQSA-N 2 0 249.402 1.473 20 0 BDADRP CC[N@@H+]1CC[C@H](CN[C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000405242430 971220025 /nfs/dbraw/zinc/22/00/25/971220025.db2.gz WXCRCUUJACJLQT-AGIUHOORSA-N 2 0 237.391 1.188 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)[C@H]1CCCOC1 ZINC000405269934 971227921 /nfs/dbraw/zinc/22/79/21/971227921.db2.gz UDHRQUVDHNKCRF-WUHRBBMRSA-N 2 0 238.375 1.661 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2ccncc2)C12CCC2 ZINC000405271671 971228439 /nfs/dbraw/zinc/22/84/39/971228439.db2.gz VBLDIHUDWPKWBG-OLZOCXBDSA-N 2 0 231.343 1.484 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H]2CCSC2)C12CCC2 ZINC000405315340 971231018 /nfs/dbraw/zinc/23/10/18/971231018.db2.gz RCMKMGOAUHAPBM-GMTAPVOTSA-N 2 0 226.389 1.599 20 0 BDADRP CC[C@H](CSC)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405299093 971231649 /nfs/dbraw/zinc/23/16/49/971231649.db2.gz INCXDMZLJUPIFE-MXWKQRLJSA-N 2 0 228.405 1.988 20 0 BDADRP CCOCCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405340424 971235666 /nfs/dbraw/zinc/23/56/66/971235666.db2.gz HTFZDBARJRQQMS-QWRGUYRKSA-N 2 0 212.337 1.273 20 0 BDADRP CSC1(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000405330330 971237641 /nfs/dbraw/zinc/23/76/41/971237641.db2.gz ZEXQVOALNTWPGK-ZJUUUORDSA-N 2 0 226.389 1.742 20 0 BDADRP CCCC(CCC)[NH2+]CCC[N@H+](C)CCO ZINC001257334305 971239561 /nfs/dbraw/zinc/23/95/61/971239561.db2.gz SCUAYLYVZFRVRG-UHFFFAOYSA-N 2 0 230.396 1.859 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)C1CCOCC1 ZINC000405357036 971240378 /nfs/dbraw/zinc/24/03/78/971240378.db2.gz RQEVYHSQFUFJKK-CYZMBNFOSA-N 2 0 238.375 1.661 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)C1CCOCC1 ZINC000405357040 971243236 /nfs/dbraw/zinc/24/32/36/971243236.db2.gz RQEVYHSQFUFJKK-WCFLWFBJSA-N 2 0 238.375 1.661 20 0 BDADRP CC(C)(C)C[C@H](O)C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405348640 971244217 /nfs/dbraw/zinc/24/42/17/971244217.db2.gz MNIQCELYOZZYKI-TUAOUCFPSA-N 2 0 240.391 1.643 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2CCCOC2)C12CCC2 ZINC000405373630 971249369 /nfs/dbraw/zinc/24/93/69/971249369.db2.gz ZVMLJLQDOFUXKQ-TUAOUCFPSA-N 2 0 224.348 1.273 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)[C@H](C)O1 ZINC000405445800 971257693 /nfs/dbraw/zinc/25/76/93/971257693.db2.gz WPJBZFWODPRMEK-YBXAARCKSA-N 2 0 224.348 1.412 20 0 BDADRP COCCCCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405441150 971255893 /nfs/dbraw/zinc/25/58/93/971255893.db2.gz VQNBRYHQHMYLSE-RYUDHWBXSA-N 2 0 226.364 1.663 20 0 BDADRP CCCCOC(=O)CC[C@@H](C)[NH2+]CCCC[NH3+] ZINC001257377697 971296124 /nfs/dbraw/zinc/29/61/24/971296124.db2.gz DLTMPDQPEDWXHN-GFCCVEGCSA-N 2 0 244.379 1.827 20 0 BDADRP CCCC[C@H](CC)[N@H+](CCN)CCO ZINC001257410571 971302022 /nfs/dbraw/zinc/30/20/22/971302022.db2.gz UWZFSRCRJNXMQG-NSHDSACASA-N 2 0 202.342 1.208 20 0 BDADRP CCCC[C@@H](CC)NC(=[NH2+])NCCCC[NH3+] ZINC001257411715 971306235 /nfs/dbraw/zinc/30/62/35/971306235.db2.gz YPYBEYUIJDGUHG-LLVKDONJSA-N 2 0 228.384 1.808 20 0 BDADRP CC[NH+](CC)CCO[C@H]1CCC[N@H+](C)C1 ZINC001224929187 974076466 /nfs/dbraw/zinc/07/64/66/974076466.db2.gz ZWCFRLZMNQUXPG-LBPRGKRZSA-N 2 0 214.353 1.439 20 0 BDADRP [NH3+]Cc1ccccc1CO[C@@H]1CCCC[NH2+]C1 ZINC001217769366 971394880 /nfs/dbraw/zinc/39/48/80/971394880.db2.gz CRCWGXRHPYPISM-CQSZACIVSA-N 2 0 234.343 1.804 20 0 BDADRP CC(C)(C[NH3+])CO[C@@H]1CCCC[NH2+]C1 ZINC001217771787 971396456 /nfs/dbraw/zinc/39/64/56/971396456.db2.gz DAAIJUNZOZVNQK-SNVBAGLBSA-N 2 0 200.326 1.130 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1OCc1ccc(C[NH3+])cc1 ZINC001217788766 971408152 /nfs/dbraw/zinc/40/81/52/971408152.db2.gz NUZIIXPJORXUNB-BXUZGUMPSA-N 2 0 234.343 1.660 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1OCCC[C@H]1CCC[NH2+]C1 ZINC001217788688 971408279 /nfs/dbraw/zinc/40/82/79/971408279.db2.gz KDHNOUFWCVQKLM-MGPQQGTHSA-N 2 0 240.391 1.781 20 0 BDADRP C(O[C@H]1CC[C@]12CC[NH2+]C2)[C@@H]1CCC[NH2+]C1 ZINC001217809077 971414383 /nfs/dbraw/zinc/41/43/83/971414383.db2.gz PPJXBHSWFXDICF-FRRDWIJNSA-N 2 0 224.348 1.145 20 0 BDADRP C[NH2+][C@H]1CC[C@H](OC[C@H]2COC(C)(C)[NH2+]2)CC1 ZINC001217823807 971421169 /nfs/dbraw/zinc/42/11/69/971421169.db2.gz HRIGRMFIHWORSV-SRVKXCTJSA-N 2 0 242.363 1.258 20 0 BDADRP CC[NH+](CC)C[C@@H](C)OC[C@@H]1CCC[NH2+]C1 ZINC001217829741 971422659 /nfs/dbraw/zinc/42/26/59/971422659.db2.gz SDFOMTOFIAUUAS-CHWSQXEVSA-N 2 0 228.380 1.733 20 0 BDADRP FCC[NH+]1CCC(OC[C@H]2CCC[NH2+]C2)CC1 ZINC001217840537 971435896 /nfs/dbraw/zinc/43/58/96/971435896.db2.gz FJEZHXWRUUJKCD-LBPRGKRZSA-N 2 0 244.354 1.437 20 0 BDADRP C(O[C@H]1CCC2(C[NH2+]C2)C1)[C@H]1CCC[NH2+]C1 ZINC001217845697 971440537 /nfs/dbraw/zinc/44/05/37/971440537.db2.gz BWFOEJSFEMCQKN-RYUDHWBXSA-N 2 0 224.348 1.145 20 0 BDADRP CC(C)[NH+]1CCC(OC[C@H]2CCC[NH2+]C2)CC1 ZINC001217856082 971447819 /nfs/dbraw/zinc/44/78/19/971447819.db2.gz FNHFAQYSJFSPSP-ZDUSSCGKSA-N 2 0 240.391 1.875 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]1OCCC1CC[NH2+]CC1 ZINC001217878541 971471899 /nfs/dbraw/zinc/47/18/99/971471899.db2.gz KLOBLIVEPIILDW-ZDUSSCGKSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@H]1CC[C@@H](OCc2cccc(C[NH3+])c2)C[NH2+]1 ZINC001217909457 971509552 /nfs/dbraw/zinc/50/95/52/971509552.db2.gz MKTRFLFHRPEBGJ-SMDDNHRTSA-N 2 0 234.343 1.802 20 0 BDADRP C[C@@H]1[NH2+]C[C@@H]1OCCC[C@H]1CCC[NH2+]C1 ZINC001217909359 971510028 /nfs/dbraw/zinc/51/00/28/971510028.db2.gz SENICBDBGGGYIN-TUAOUCFPSA-N 2 0 212.337 1.143 20 0 BDADRP C(C[C@@H]1CCC[NH2+]C1)O[C@H]1C[NH2+]CCC12CC2 ZINC001217913503 971515532 /nfs/dbraw/zinc/51/55/32/971515532.db2.gz MRDDJFDBTXXSDT-STQMWFEESA-N 2 0 238.375 1.535 20 0 BDADRP C(C[C@H]1CCC[NH2+]C1)O[C@H]1C[NH2+]CCC12CC2 ZINC001217913499 971516680 /nfs/dbraw/zinc/51/66/80/971516680.db2.gz MRDDJFDBTXXSDT-OLZOCXBDSA-N 2 0 238.375 1.535 20 0 BDADRP C(CO[C@@H]1[C@@H]2CC[C@H]1[NH2+]C2)C[C@H]1CCC[NH2+]C1 ZINC001217925234 971529338 /nfs/dbraw/zinc/52/93/38/971529338.db2.gz QJIGVQASKFCWDK-AAVRWANBSA-N 2 0 238.375 1.533 20 0 BDADRP CC1(C)C[C@H](OCC[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001217937098 971538924 /nfs/dbraw/zinc/53/89/24/971538924.db2.gz JTXIZFBUXUMUDW-CHWSQXEVSA-N 2 0 240.391 1.923 20 0 BDADRP C[NH2+][C@H]1C[C@H](Oc2cccc3c2C[NH2+]C3)C1 ZINC001217955091 971541287 /nfs/dbraw/zinc/54/12/87/971541287.db2.gz WMJOEVCHRZSBAX-XYPYZODXSA-N 2 0 218.300 1.419 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H]1Oc1ccc2c(c1)C[NH2+]C2 ZINC001217966283 971551650 /nfs/dbraw/zinc/55/16/50/971551650.db2.gz YVRDWSFPANPXBB-RNCFNFMXSA-N 2 0 218.300 1.277 20 0 BDADRP CC(C)C[NH+]1CCC([NH2+][C@H]2C[C@@](C)(O)C2)CC1 ZINC001258003053 971551882 /nfs/dbraw/zinc/55/18/82/971551882.db2.gz WHDUBBNRRNHIHS-OKILXGFUSA-N 2 0 240.391 1.610 20 0 BDADRP [NH3+]Cc1ccccc1O[C@H]1CCCC[NH2+]C1 ZINC001217974868 971558771 /nfs/dbraw/zinc/55/87/71/971558771.db2.gz QEBBZLBCKHJTEI-LBPRGKRZSA-N 2 0 220.316 1.666 20 0 BDADRP [NH3+]Cc1ccc(O[C@@H]2C[NH2+]CCC[C@@H]2F)cc1 ZINC001217985750 971561361 /nfs/dbraw/zinc/56/13/61/971561361.db2.gz RHASASKCCUPDPX-QWHCGFSZSA-N 2 0 238.306 1.614 20 0 BDADRP C[C@H]1C[NH2+]CCC[C@@H]1Oc1ccccc1C[NH3+] ZINC001217994034 971562413 /nfs/dbraw/zinc/56/24/13/971562413.db2.gz YGSARDIGNCIXLB-AAEUAGOBSA-N 2 0 234.343 1.912 20 0 BDADRP C[C@@H](Oc1ccc(CC[NH3+])cc1)C1CC[NH2+]CC1 ZINC001218003396 971565635 /nfs/dbraw/zinc/56/56/35/971565635.db2.gz UCFADXPNFFPXRC-GFCCVEGCSA-N 2 0 248.370 1.955 20 0 BDADRP c1cc2c(cc1O[C@@H]1CCC[NH2+]CC1)CC[NH2+]C2 ZINC001217997233 971565860 /nfs/dbraw/zinc/56/58/60/971565860.db2.gz ZBTMQIMJAKSZEV-CQSZACIVSA-N 2 0 246.354 1.853 20 0 BDADRP c1cc2c(c(O[C@@H]3CCC[NH2+]CC3)c1)C[NH2+]C2 ZINC001217996923 971566117 /nfs/dbraw/zinc/56/61/17/971566117.db2.gz NDHWNHXNYXZRDB-GFCCVEGCSA-N 2 0 232.327 1.811 20 0 BDADRP C[C@@H]1C[C@@H](Oc2ccc3c(c2)CC[NH2+]C3)C[NH2+]1 ZINC001218036259 971581397 /nfs/dbraw/zinc/58/13/97/971581397.db2.gz KXSVHSNOVAJZAF-QMTHXVAHSA-N 2 0 232.327 1.462 20 0 BDADRP C[C@@H]1C[C@H](Oc2ccc3c(c2)C[NH2+]C3)C[NH2+]1 ZINC001218046122 971585992 /nfs/dbraw/zinc/58/59/92/971585992.db2.gz KGUMJFNAWQRCNW-RNCFNFMXSA-N 2 0 218.300 1.419 20 0 BDADRP C[C@@H]1C[C@H](Oc2cccc(C[NH3+])c2)CC[NH2+]1 ZINC001218063526 971594795 /nfs/dbraw/zinc/59/47/95/971594795.db2.gz YZJQLAGWIFGHDD-ZWNOBZJWSA-N 2 0 220.316 1.665 20 0 BDADRP F[C@@H]1C[NH2+]CC[C@@H]1Oc1cccc2c1C[NH2+]C2 ZINC001218069715 971595056 /nfs/dbraw/zinc/59/50/56/971595056.db2.gz JZTDENSPONGTGD-YPMHNXCESA-N 2 0 236.290 1.369 20 0 BDADRP C[C@H]1C[C@H](Oc2cccc3c2C[NH2+]C3)CC[NH2+]1 ZINC001218059454 971593763 /nfs/dbraw/zinc/59/37/63/971593763.db2.gz JLAOAPQMFRQSHQ-CMPLNLGQSA-N 2 0 232.327 1.809 20 0 BDADRP [NH3+]Cc1cccc(O[C@@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)c1 ZINC001218128675 971604199 /nfs/dbraw/zinc/60/41/99/971604199.db2.gz SRIVOPOFDWADQV-BFHYXJOUSA-N 2 0 248.326 1.044 20 0 BDADRP [NH3+]Cc1cccc(O[C@H]2CC[C@@H]3[NH2+]CCO[C@@H]32)c1 ZINC001218120518 971605423 /nfs/dbraw/zinc/60/54/23/971605423.db2.gz SRIVOPOFDWADQV-IHRRRGAJSA-N 2 0 248.326 1.044 20 0 BDADRP [NH3+]Cc1ccccc1O[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001218145195 971606556 /nfs/dbraw/zinc/60/65/56/971606556.db2.gz KYMPTIQVVIORPR-VNHYZAJKSA-N 2 0 246.354 1.912 20 0 BDADRP CC[N@@H+]1CC[C@H](Oc2cccc(C[NH3+])c2)C1 ZINC001218213833 971633945 /nfs/dbraw/zinc/63/39/45/971633945.db2.gz KCJATYICQNLTOW-ZDUSSCGKSA-N 2 0 220.316 1.618 20 0 BDADRP [NH3+]Cc1ccccc1O[C@H]1CCC[NH2+]C1 ZINC001218282880 971675360 /nfs/dbraw/zinc/67/53/60/971675360.db2.gz CIKKBJVYLWSPCM-NSHDSACASA-N 2 0 206.289 1.276 20 0 BDADRP CC1(C)[C@@H]2C[C@@H]([NH2+][C@@H]3CCC[C@@H]3[NH3+])C[C@@H]21 ZINC001170737883 971683326 /nfs/dbraw/zinc/68/33/26/971683326.db2.gz CKWVJZLHGMBUEL-HHHUOAJASA-N 2 0 208.349 1.890 20 0 BDADRP CC(C)N(CC[NH3+])[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172103508 974361689 /nfs/dbraw/zinc/36/16/89/974361689.db2.gz VQPPHUZBRDVNLV-WDNDVIMCSA-N 2 0 239.407 1.671 20 0 BDADRP C1=C[C@H](Oc2ccc3c(c2)CC[NH2+]C3)C[NH2+]C1 ZINC001218329025 971709707 /nfs/dbraw/zinc/70/97/07/971709707.db2.gz QJWCWCGRZYTKPL-AWEZNQCLSA-N 2 0 230.311 1.239 20 0 BDADRP C[C@@H]([NH3+])c1ccc(O[C@H]2C[NH2+]CC[C@H]2F)cc1 ZINC001218321374 971710567 /nfs/dbraw/zinc/71/05/67/971710567.db2.gz HXZROHDBFXJGND-WQAKAFBOSA-N 2 0 238.306 1.785 20 0 BDADRP Cc1c(O[C@@H]2C[NH2+][C@H]2C)ccc2c1CC[NH2+]C2 ZINC001218382326 971762001 /nfs/dbraw/zinc/76/20/01/971762001.db2.gz AUQVIGZALOLWJI-IINYFYTJSA-N 2 0 232.327 1.380 20 0 BDADRP c1cc2c(c(O[C@@H]3[C@@H]4CC[C@H]3[NH2+]C4)c1)CC[NH2+]C2 ZINC001218441583 971819480 /nfs/dbraw/zinc/81/94/80/971819480.db2.gz GOFOYZAYTQAUBH-UXIGCNINSA-N 2 0 244.338 1.462 20 0 BDADRP C[C@H]([NH3+])c1ccc(O[C@@H]2[C@@H]3CC[C@H]2[NH2+]C3)cc1 ZINC001218449679 971821075 /nfs/dbraw/zinc/82/10/75/971821075.db2.gz RBNOQOHCWAEPMM-RMIQQSQVSA-N 2 0 232.327 1.836 20 0 BDADRP [NH3+]CC1(F)CC[NH+](C[C@@H]2CCC=CO2)CC1 ZINC001222526445 972541480 /nfs/dbraw/zinc/54/14/80/972541480.db2.gz ALOOUSGCXGMRIR-NSHDSACASA-N 2 0 228.311 1.442 20 0 BDADRP CC[C@@]([NH3+])(CO)Nc1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC001170864703 971994885 /nfs/dbraw/zinc/99/48/85/971994885.db2.gz VXSQUWYBQMIGBJ-KBPBESRZSA-N 2 0 249.358 1.580 20 0 BDADRP CC[C@]([NH3+])(CO)Nc1ccc([C@H]2CCC[NH2+]2)cc1 ZINC001170864710 971995024 /nfs/dbraw/zinc/99/50/24/971995024.db2.gz VXSQUWYBQMIGBJ-ZIAGYGMSSA-N 2 0 249.358 1.580 20 0 BDADRP CC(C)(C)[C@H]([NH3+])CC(=O)Nc1ccc(C[NH3+])cc1 ZINC001219349699 972008314 /nfs/dbraw/zinc/00/83/14/972008314.db2.gz UYPLKOPKZVJRMO-GFCCVEGCSA-N 2 0 249.358 1.847 20 0 BDADRP CCC(CC)CNC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001219601695 972044722 /nfs/dbraw/zinc/04/47/22/972044722.db2.gz XAUHCZCHELVGOD-LBPRGKRZSA-N 2 0 243.395 1.385 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc(C2CCC2)nn1 ZINC001170895884 972048428 /nfs/dbraw/zinc/04/84/28/972048428.db2.gz ADKGKVOZFIJEAC-LLVKDONJSA-N 2 0 235.335 1.180 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ncccc1C(F)F ZINC001170898503 972056302 /nfs/dbraw/zinc/05/63/02/972056302.db2.gz ONQDHSOILKKFEO-QMMMGPOBSA-N 2 0 230.262 1.455 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1cccc2c1COC2 ZINC001170899677 972059507 /nfs/dbraw/zinc/05/95/07/972059507.db2.gz DGVKETVRYWHESJ-GFCCVEGCSA-N 2 0 221.304 1.152 20 0 BDADRP CC(C)Oc1cc(N[C@H]([NH3+])CCC[NH3+])ccn1 ZINC001170899010 972061195 /nfs/dbraw/zinc/06/11/95/972061195.db2.gz GOWWOURTEYURGL-NSHDSACASA-N 2 0 238.335 1.304 20 0 BDADRP Cn1ccc2ncc(N[C@H]([NH3+])CCC[NH3+])cc21 ZINC001170900747 972069781 /nfs/dbraw/zinc/06/97/81/972069781.db2.gz PHKYQTFCOKJUPY-LBPRGKRZSA-N 2 0 233.319 1.009 20 0 BDADRP Cc1ccc(N(C)C)c(N[C@@H]([NH3+])CCC[NH3+])c1 ZINC001170902882 972072767 /nfs/dbraw/zinc/07/27/67/972072767.db2.gz GTDJBAWERKRVGY-CYBMUJFWSA-N 2 0 236.363 1.497 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1cccc2c1CC[C@H]2[NH3+] ZINC001170904326 972078276 /nfs/dbraw/zinc/07/82/76/972078276.db2.gz OCDFZKKZCQDHAG-YPMHNXCESA-N 3 0 234.347 1.068 20 0 BDADRP CC(C)c1ccc(N[C@@H]([NH3+])CCC[NH3+])nn1 ZINC001159785632 972111984 /nfs/dbraw/zinc/11/19/84/972111984.db2.gz REVWCDSUJHPGLQ-SNVBAGLBSA-N 2 0 223.324 1.036 20 0 BDADRP C[C@@H](C[NH3+])C(=O)NCCC[NH2+]C1CCCCC1 ZINC001219954479 972119285 /nfs/dbraw/zinc/11/92/85/972119285.db2.gz JZXWOMIIHXCTJD-NSHDSACASA-N 2 0 241.379 1.010 20 0 BDADRP C[C@@](O)(C[NH2+][C@H]1CCCC[C@H]1[NH3+])c1ccccc1 ZINC001246019965 972115389 /nfs/dbraw/zinc/11/53/89/972115389.db2.gz QKYLPIANYPAFNP-QLFBSQMISA-N 2 0 248.370 1.754 20 0 BDADRP CC[C@@H]1C[C@@H](N[C@H](C[NH3+])c2ccccc2)CC[NH2+]1 ZINC001246076399 972131225 /nfs/dbraw/zinc/13/12/25/972131225.db2.gz NQOFNBQCJHKAGR-QLFBSQMISA-N 2 0 247.386 1.807 20 0 BDADRP C[C@H]1C[C@H]([NH2+][C@@H]2CCCC[NH2+]C2)CCO1 ZINC001246090638 972142229 /nfs/dbraw/zinc/14/22/29/972142229.db2.gz LHVCTVROANZZRO-QJPTWQEYSA-N 2 0 212.337 1.286 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC001246100402 972154135 /nfs/dbraw/zinc/15/41/35/972154135.db2.gz XIRUNHLXYPCARY-RFQIPJPRSA-N 3 0 239.407 1.352 20 0 BDADRP [NH3+][C@H]1CCCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246100614 972155212 /nfs/dbraw/zinc/15/52/12/972155212.db2.gz FZWULDRIMNOFPF-GJHMDTBVSA-N 2 0 223.364 1.129 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1NC1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246102474 972160775 /nfs/dbraw/zinc/16/07/75/972160775.db2.gz PDVWIGAHNKASIH-MPPDQPJWSA-N 2 0 225.380 1.103 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+][C@H]2CCO[C@@H](C)C2)C[NH2+]1 ZINC001246104165 972166734 /nfs/dbraw/zinc/16/67/34/972166734.db2.gz ZXIRGZABXZPKCP-XQHKEYJVSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1CNC1C[C@@H]2C=C[C@H](C1)[NH2+]2 ZINC001246106163 972169011 /nfs/dbraw/zinc/16/90/11/972169011.db2.gz DLHWLGKFPIGSEG-IZXDZPFWSA-N 2 0 235.375 1.023 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001246119646 972185079 /nfs/dbraw/zinc/18/50/79/972185079.db2.gz WSYPEUIDKOUVIX-RKQHYHRCSA-N 2 0 237.391 1.199 20 0 BDADRP C[C@@H]1C[C@@H](N[C@@H]2CC[NH2+][C@H]2c2ccccc2)C[NH2+]1 ZINC001246141930 972192249 /nfs/dbraw/zinc/19/22/49/972192249.db2.gz LYEGABRSGWHOEJ-NGFQHRJXSA-N 2 0 245.370 1.430 20 0 BDADRP [NH3+]CCc1ccccc1NC1=CCC[NH2+]CC1 ZINC001159998046 972200101 /nfs/dbraw/zinc/20/01/01/972200101.db2.gz SGKDYOFQYWWLQT-UHFFFAOYSA-N 2 0 231.343 1.867 20 0 BDADRP CC(C)N(CCC[NH3+])[C@H]1CC[NH2+][C@H](C)C1 ZINC001246170134 972200318 /nfs/dbraw/zinc/20/03/18/972200318.db2.gz HMZYMOAKQQUMHT-NEPJUHHUSA-N 2 0 213.369 1.186 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH2+]C1CCSCC1 ZINC000822127100 972200501 /nfs/dbraw/zinc/20/05/01/972200501.db2.gz FNZFLOYBDRCBFC-GFCCVEGCSA-N 2 0 228.405 1.956 20 0 BDADRP [NH2+]=C(NC1CC[NH2+]CC1)c1cc(F)cc(F)c1 ZINC001246180364 972206366 /nfs/dbraw/zinc/20/63/66/972206366.db2.gz IYCKLRQKJGDMIA-UHFFFAOYSA-N 2 0 239.269 1.632 20 0 BDADRP [NH3+][C@H]1C[C@H](N[C@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246191643 972211678 /nfs/dbraw/zinc/21/16/78/972211678.db2.gz WUTBQXIPDNUWNM-AVGNSLFASA-N 2 0 237.391 1.521 20 0 BDADRP C[NH+](C)Cc1ccc(CN[C@@H]2CCC[NH2+]C2)cc1 ZINC001246181142 972208059 /nfs/dbraw/zinc/20/80/59/972208059.db2.gz YJXBONFMDOONFM-OAHLLOKOSA-N 2 0 247.386 1.590 20 0 BDADRP CCOC(=O)CCCC[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC001246185491 972209944 /nfs/dbraw/zinc/20/99/44/972209944.db2.gz FCZRXOBYBDACLN-VXGBXAGGSA-N 2 0 242.363 1.450 20 0 BDADRP CC[C@H]1C[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246206176 972217100 /nfs/dbraw/zinc/21/71/00/972217100.db2.gz XXFJKOCBXUDCGJ-YVECIDJPSA-N 2 0 225.380 1.377 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246231564 972237417 /nfs/dbraw/zinc/23/74/17/972237417.db2.gz NKYMGQZAHXTXQH-FRRDWIJNSA-N 3 0 225.380 1.106 20 0 BDADRP C[C@@H](CNC(=O)[C@@H](C)C[NH3+])CC(C)(C)CC[NH3+] ZINC001220766412 972257042 /nfs/dbraw/zinc/25/70/42/972257042.db2.gz RRLOBUXPEVBKMX-MNOVXSKESA-N 2 0 243.395 1.099 20 0 BDADRP C[N@@H+](Cc1ccnnc1)CC1CC[NH+](C)CC1 ZINC001139983293 957281981 /nfs/dbraw/zinc/28/19/81/957281981.db2.gz RRHSPJINLGXNOW-UHFFFAOYSA-N 2 0 234.347 1.250 20 0 BDADRP [NH3+]CCCCCCC[NH2+]C1CC[NH2+]CC1 ZINC001246305635 972268307 /nfs/dbraw/zinc/26/83/07/972268307.db2.gz IMRDNPKXHFGGMR-UHFFFAOYSA-N 3 0 213.369 1.237 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246308640 972270498 /nfs/dbraw/zinc/27/04/98/972270498.db2.gz HCARCSHMQYXAAG-MELADBBJSA-N 2 0 241.423 1.726 20 0 BDADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2COCC2(C)C)C1 ZINC000693025894 957512747 /nfs/dbraw/zinc/51/27/47/957512747.db2.gz GEOMFLJSCXFHQK-QWHCGFSZSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1CC[C@H](NC[C@@H]([NH3+])Cc2ccccc2)C[NH2+]1 ZINC001246307807 972271321 /nfs/dbraw/zinc/27/13/21/972271321.db2.gz NHAPEJHMSJEZEU-SNPRPXQTSA-N 2 0 247.386 1.287 20 0 BDADRP C[C@@H]1CN(Cc2c[nH+]ccc2N)C[C@H](C)[N@H+]1C ZINC001209730010 957525146 /nfs/dbraw/zinc/52/51/46/957525146.db2.gz CUPSXKXRHQNTDT-PHIMTYICSA-N 2 0 234.347 1.019 20 0 BDADRP [NH3+]CCN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000705882432 957533246 /nfs/dbraw/zinc/53/32/46/957533246.db2.gz VMRVQQPSJJKLDF-GASCZTMLSA-N 2 0 245.370 1.009 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2cc(Cl)ccn2)CC1 ZINC000086130503 957564329 /nfs/dbraw/zinc/56/43/29/957564329.db2.gz UKURQEKBSPAVIA-UHFFFAOYSA-N 2 0 239.750 1.906 20 0 BDADRP C[C@H]1C[C@@H](n2cc3ccc(C[NH3+])cc3n2)CC[NH2+]1 ZINC001246321218 972277449 /nfs/dbraw/zinc/27/74/49/972277449.db2.gz AWJSNFAPENGSTP-GWCFXTLKSA-N 2 0 244.342 1.808 20 0 BDADRP C[NH2+]Cc1cccc(CN[C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC001246321215 972277699 /nfs/dbraw/zinc/27/76/99/972277699.db2.gz AVFXKHQPHXEISD-SWLSCSKDSA-N 2 0 247.386 1.636 20 0 BDADRP CC[N@H+](CCC[NH+](C)C)[C@@H](C)COC ZINC000706065861 957623328 /nfs/dbraw/zinc/62/33/28/957623328.db2.gz JTZLBDNBCCNDMC-NSHDSACASA-N 2 0 202.342 1.295 20 0 BDADRP C[NH+]1CCC(C[NH2+]C[C@@H]2CCOC2(C)C)CC1 ZINC000693101684 957666588 /nfs/dbraw/zinc/66/65/88/957666588.db2.gz DOLCNGIGMJECLE-ZDUSSCGKSA-N 2 0 240.391 1.733 20 0 BDADRP C(C[NH2+][C@@H]1C[C@H]2C[C@H]2C1)C[NH+]1CCCC1 ZINC000397650251 957753873 /nfs/dbraw/zinc/75/38/73/957753873.db2.gz DZYYEFRCPCAYRH-CLLJXQQHSA-N 2 0 208.349 1.860 20 0 BDADRP CCCC[C@@H]1C[C@@H](N[C@H]2C[NH2+][C@H](C)C2)CC[NH2+]1 ZINC001246367113 972303479 /nfs/dbraw/zinc/30/34/79/972303479.db2.gz YUEVETRSPXGPIY-YIYPIFLZSA-N 2 0 239.407 1.637 20 0 BDADRP CO[C@H]1C[C@H]([NH2+][C@H]2CCC[N@H+](C)CC2)C1 ZINC000706498804 957921975 /nfs/dbraw/zinc/92/19/75/957921975.db2.gz UABKOQZYTVXBCG-SRVKXCTJSA-N 2 0 212.337 1.238 20 0 BDADRP CC(C)[PH+](CCNC(=O)C1([NH3+])CC1)C(C)C ZINC001221254618 972304750 /nfs/dbraw/zinc/30/47/50/972304750.db2.gz RHZCDIGHXUPIPQ-UHFFFAOYSA-N 2 0 244.319 1.893 20 0 BDADRP C1[C@@H](N[C@H]2CCC[N@@H+](C3CCCC3)C2)C12C[NH2+]C2 ZINC001246444286 972316084 /nfs/dbraw/zinc/31/60/84/972316084.db2.gz JXSWEGICYUFQMW-GXTWGEPZSA-N 2 0 249.402 1.345 20 0 BDADRP CC(C)OC1CCC([NH2+][C@@H]2CC23C[NH2+]C3)CC1 ZINC001246447928 972320168 /nfs/dbraw/zinc/32/01/68/972320168.db2.gz XVJXYTHXKGCNOI-WXRRBKDZSA-N 2 0 238.375 1.674 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCCNCCC[NH3+])C[C@@H](C)C1 ZINC001246452703 972322851 /nfs/dbraw/zinc/32/28/51/972322851.db2.gz LVWXDUIYCQPUSD-WDNDVIMCSA-N 2 0 241.423 1.729 20 0 BDADRP CCC[C@@]1(CN[C@@H]2CC[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC001246454186 972322903 /nfs/dbraw/zinc/32/29/03/972322903.db2.gz AFFXGNARWIGVTH-XQQFMLRXSA-N 2 0 225.380 1.249 20 0 BDADRP CC[C@@H]1C[C@@H](N[C@@]2(CC)CC[NH2+]C2)CC[NH2+]1 ZINC001246459410 972328967 /nfs/dbraw/zinc/32/89/67/972328967.db2.gz KAFFFUMPWFAFQO-AGIUHOORSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[C@H]2O)CC[NH2+]1 ZINC001246466526 972338716 /nfs/dbraw/zinc/33/87/16/972338716.db2.gz QUYNWLFFLMWFTM-FVCCEPFGSA-N 2 0 226.364 1.268 20 0 BDADRP CSC1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000300818735 958339735 /nfs/dbraw/zinc/33/97/35/958339735.db2.gz ILJWTCPTMNNMAV-MNOVXSKESA-N 2 0 228.405 1.941 20 0 BDADRP C[C@H]1CC[C@H](N2CC[NH+](C3CCC3)CC2)C[NH2+]1 ZINC000398973267 958468706 /nfs/dbraw/zinc/46/87/06/958468706.db2.gz AJCPPELWCKONNM-JSGCOSHPSA-N 2 0 237.391 1.297 20 0 BDADRP C[C@@H]1CC[C@H](NCC(C)(C)C[NH+](C)C)C[NH2+]1 ZINC000399023207 958482490 /nfs/dbraw/zinc/48/24/90/958482490.db2.gz GDLIURJGVWHLNN-NEPJUHHUSA-N 2 0 227.396 1.304 20 0 BDADRP CCC[C@@H](C)C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222081468 972362608 /nfs/dbraw/zinc/36/26/08/972362608.db2.gz YCCZUEIFYGSTOU-CYBMUJFWSA-N 2 0 239.407 1.450 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+]Cc1cccc2c1NCC2 ZINC001327004213 972363466 /nfs/dbraw/zinc/36/34/66/972363466.db2.gz INUDSZUFZFIIBZ-LLVKDONJSA-N 2 0 233.359 1.742 20 0 BDADRP C1C[C@]2(CC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)CO1 ZINC000707639464 958639297 /nfs/dbraw/zinc/63/92/97/958639297.db2.gz FBYFMMABYAXZCI-PIGZVRMJSA-N 2 0 236.359 1.382 20 0 BDADRP C[NH2+]CCN(C)[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246522949 972375973 /nfs/dbraw/zinc/37/59/73/972375973.db2.gz KIYCOXDIBGGCQD-GJZGRUSLSA-N 2 0 247.386 1.631 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cscn1 ZINC000693560036 958802254 /nfs/dbraw/zinc/80/22/54/958802254.db2.gz RQUNYUPXFBDVLK-XHNCKOQMSA-N 2 0 211.334 1.531 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cncs2)C1 ZINC000690739029 958856491 /nfs/dbraw/zinc/85/64/91/958856491.db2.gz PNJACEKVABQERE-SECBINFHSA-N 2 0 211.334 1.314 20 0 BDADRP COC(=O)CC[N@H+](C)CC(C)(C)C[NH+](C)C ZINC001207288794 958887223 /nfs/dbraw/zinc/88/72/23/958887223.db2.gz VOGUUGQOUWUCHH-UHFFFAOYSA-N 2 0 230.352 1.069 20 0 BDADRP COC[C@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000693587079 958891260 /nfs/dbraw/zinc/89/12/60/958891260.db2.gz XVFCLMOXIPWRMR-SDDRHHMPSA-N 2 0 212.337 1.082 20 0 BDADRP C[NH+](C)Cc1cccc(-n2cccc2C[NH3+])n1 ZINC001167589735 958976930 /nfs/dbraw/zinc/97/69/30/958976930.db2.gz KYPPNXXSWBJWOI-UHFFFAOYSA-N 2 0 230.315 1.393 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H](C)CO1 ZINC000693617862 959011438 /nfs/dbraw/zinc/01/14/38/959011438.db2.gz UMSPVSTWVOZOLF-WISYIIOYSA-N 2 0 212.337 1.223 20 0 BDADRP CCn1cc(C[N@H+](C)CCCCCC[NH3+])cn1 ZINC000693697960 959207497 /nfs/dbraw/zinc/20/74/97/959207497.db2.gz LWCNOSKMHURYPE-UHFFFAOYSA-N 2 0 238.379 1.854 20 0 BDADRP C([C@H]1CCCC[NH2+]1)N1CCC[C@@]12CCC[NH2+]C2 ZINC001222230877 972417037 /nfs/dbraw/zinc/41/70/37/972417037.db2.gz FWYCCRGYHLPSMK-ZIAGYGMSSA-N 2 0 237.391 1.347 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)N1CCC[C@]12CCC[NH2+]C2 ZINC001222230949 972414766 /nfs/dbraw/zinc/41/47/66/972414766.db2.gz HQVXDWROYPLWEC-KGLIPLIRSA-N 2 0 237.391 1.204 20 0 BDADRP Oc1cnccc1CN1CCC[C@]12CCC[NH2+]C2 ZINC001222244148 972421482 /nfs/dbraw/zinc/42/14/82/972421482.db2.gz UKVFCOQLRMFCNM-AWEZNQCLSA-N 2 0 247.342 1.505 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2cccnc2)C12CCC2 ZINC000405250074 959421668 /nfs/dbraw/zinc/42/16/68/959421668.db2.gz JFTDRQJUXIFGKN-STQMWFEESA-N 2 0 231.343 1.484 20 0 BDADRP C[C@H](CN[C@H]1C[C@@H]([NH3+])C12CCC2)[N@H+](C)C1CC1 ZINC000405238377 959423395 /nfs/dbraw/zinc/42/33/95/959423395.db2.gz VBHCKBJEIZUSPJ-RTXFEEFZSA-N 2 0 237.391 1.329 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2ccccn2)C12CCC2 ZINC000405275609 959431362 /nfs/dbraw/zinc/43/13/62/959431362.db2.gz WWMKKTGMMKVSIF-CHWSQXEVSA-N 2 0 231.343 1.484 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](CO)C2)C12CCC2 ZINC000405352526 959443124 /nfs/dbraw/zinc/44/31/24/959443124.db2.gz PCEANYXAYULYKA-RVMXOQNASA-N 2 0 238.375 1.397 20 0 BDADRP [NH3+]C[C@H]1CCCC[N@H+](C[C@H]2CCOC2)C1 ZINC000308868045 959529605 /nfs/dbraw/zinc/52/96/05/959529605.db2.gz RHYYKOYQDLWTAL-VXGBXAGGSA-N 2 0 212.337 1.084 20 0 BDADRP C[NH2+][C@H]1C[C@H](OCc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001217766455 959582238 /nfs/dbraw/zinc/58/22/38/959582238.db2.gz USFANXQJXMHFHJ-SHTZXODSSA-N 2 0 246.354 1.599 20 0 BDADRP [NH3+]CCCCCCO[C@@H]1CCCC[NH2+]C1 ZINC001217773904 959586271 /nfs/dbraw/zinc/58/62/71/959586271.db2.gz SEFNKEXLRRPBQW-GFCCVEGCSA-N 2 0 214.353 1.664 20 0 BDADRP C(CO[C@H]1CC[NH2+]C1)CC1CC[NH2+]CC1 ZINC001217822887 959621982 /nfs/dbraw/zinc/62/19/82/959621982.db2.gz RDMJKRDOJVPOQB-LBPRGKRZSA-N 2 0 212.337 1.145 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](CCOCc2ccccc2)C1 ZINC000309720761 959688854 /nfs/dbraw/zinc/68/88/54/959688854.db2.gz MDXDRYOGCISULK-AWEZNQCLSA-N 2 0 248.370 1.874 20 0 BDADRP [NH3+]CCCCCN1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385363 972451691 /nfs/dbraw/zinc/45/16/91/972451691.db2.gz KZEDTZSWBJKMSF-CQSZACIVSA-N 3 0 239.407 1.724 20 0 BDADRP C[C@@H]1[NH2+]C[C@@H]1OCCCCC1CC[NH2+]CC1 ZINC001217909109 959741117 /nfs/dbraw/zinc/74/11/17/959741117.db2.gz RMVXNCVWSGWCSE-AAEUAGOBSA-N 2 0 226.364 1.533 20 0 BDADRP CC1(C)C[C@@H](OCC[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001217937101 959788348 /nfs/dbraw/zinc/78/83/48/959788348.db2.gz JTXIZFBUXUMUDW-STQMWFEESA-N 2 0 240.391 1.923 20 0 BDADRP Cc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)o1 ZINC000708824629 959858296 /nfs/dbraw/zinc/85/82/96/959858296.db2.gz AEWRLTJZGLYNJC-GXSJLCMTSA-N 2 0 208.305 1.615 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)C[C@H](C)O1 ZINC000694759503 959982952 /nfs/dbraw/zinc/98/29/52/959982952.db2.gz ARIBYKWAEDMJFR-NZEXEKPDSA-N 2 0 238.375 1.802 20 0 BDADRP OCCCCCN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222420530 972473121 /nfs/dbraw/zinc/47/31/21/972473121.db2.gz DRZOPPBYQXSPOO-CYBMUJFWSA-N 2 0 226.364 1.367 20 0 BDADRP CC1(C)C[N@H+](CC2CC[NH2+]CC2)[C@@](C)(CO)C1 ZINC001207436812 960090066 /nfs/dbraw/zinc/09/00/66/960090066.db2.gz QBRPFHPUJIQSRE-CQSZACIVSA-N 2 0 240.391 1.469 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@@H](CO)C2CC2)CC1 ZINC000309975136 960158654 /nfs/dbraw/zinc/15/86/54/960158654.db2.gz SFHIUVODXUBBBW-BPCQOVAHSA-N 2 0 226.364 1.220 20 0 BDADRP [NH3+]CC(C[NH3+])NCc1ccc2ccccc2c1 ZINC000695330598 960202161 /nfs/dbraw/zinc/20/21/61/960202161.db2.gz VMYAKAMCSFQPKF-UHFFFAOYSA-N 2 0 229.327 1.215 20 0 BDADRP CC(C)(C)c1cccc(CNC(C[NH3+])C[NH3+])c1 ZINC000695355300 960210469 /nfs/dbraw/zinc/21/04/69/960210469.db2.gz HDFIYQIAYVTORU-UHFFFAOYSA-N 2 0 235.375 1.360 20 0 BDADRP CCN(CCC[NH+]1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000695480174 960262752 /nfs/dbraw/zinc/26/27/52/960262752.db2.gz ARKZTDPRFQJGJZ-CQSZACIVSA-N 2 0 239.407 1.546 20 0 BDADRP CC[NH2+]CCN1CCC2(CCC[NH2+]C2)CC1 ZINC001222452140 972496855 /nfs/dbraw/zinc/49/68/55/972496855.db2.gz BMTWPCKJKGWJKP-UHFFFAOYSA-N 2 0 225.380 1.062 20 0 BDADRP C[NH+]1CCC(CC[N@@H+]2CCCC[C@H](O)C2)CC1 ZINC001207479548 960352444 /nfs/dbraw/zinc/35/24/44/960352444.db2.gz JZKKOMDJLJTHGV-AWEZNQCLSA-N 2 0 240.391 1.565 20 0 BDADRP [NH3+][C@H](CN1CC[C@@]2(CCC[NH2+]2)C1)c1ccccc1 ZINC001222465487 972501779 /nfs/dbraw/zinc/50/17/79/972501779.db2.gz SHFIEINCHGTLAC-CABCVRRESA-N 2 0 245.370 1.514 20 0 BDADRP C[C@H]1CCC[N@H+](CC2CC[NH+](C)CC2)[C@H]1CO ZINC000709415934 960586631 /nfs/dbraw/zinc/58/66/31/960586631.db2.gz SQGWVKAHQIMUFL-JSGCOSHPSA-N 2 0 240.391 1.421 20 0 BDADRP O[C@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000709489027 960622370 /nfs/dbraw/zinc/62/23/70/960622370.db2.gz GHQPGBWILSPWKO-HNGCFSAESA-N 2 0 224.348 1.116 20 0 BDADRP CC(C)(C)C[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222492374 972525130 /nfs/dbraw/zinc/52/51/30/972525130.db2.gz VDYPBJKRCHOIDT-RYUDHWBXSA-N 2 0 225.380 1.058 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000925701274 960694228 /nfs/dbraw/zinc/69/42/28/960694228.db2.gz WSLJYMJJDAUWOW-JHJVBQTASA-N 3 0 239.407 1.482 20 0 BDADRP CC[C@@H](C(=O)NC[C@H](C)C[NH2+]C(C)C)[NH+](C)C ZINC001268003308 960711644 /nfs/dbraw/zinc/71/16/44/960711644.db2.gz LKZKVRZFDSBBHQ-NEPJUHHUSA-N 2 0 243.395 1.077 20 0 BDADRP C[NH+]1CCC(O[C@H]2CCC[N@H+](C)CC2)CC1 ZINC001222504342 972527567 /nfs/dbraw/zinc/52/75/67/972527567.db2.gz RBXMZCSYMXKGSX-LBPRGKRZSA-N 2 0 226.364 1.582 20 0 BDADRP Cc1ncoc1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206624371 960828898 /nfs/dbraw/zinc/82/88/98/960828898.db2.gz VGEJIPBVVQLCCQ-NSHDSACASA-N 2 0 223.320 1.544 20 0 BDADRP CC(C)[C@@](C)(O)C[NH2+]CC1CC[NH+](C)CC1 ZINC000229315704 961171306 /nfs/dbraw/zinc/17/13/06/961171306.db2.gz CBKYHOUPUOICFM-ZDUSSCGKSA-N 2 0 228.380 1.325 20 0 BDADRP CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]C(C)C)[NH+](C)C ZINC001268092809 961203711 /nfs/dbraw/zinc/20/37/11/961203711.db2.gz FVNGSDORJJCCSF-VXGBXAGGSA-N 2 0 243.395 1.172 20 0 BDADRP C[NH+](C)Cc1c[nH]c2nccc(NC=[NH2+])c12 ZINC001167866996 961350568 /nfs/dbraw/zinc/35/05/68/961350568.db2.gz GERUNAIEJNKZQR-UHFFFAOYSA-N 2 0 217.276 1.643 20 0 BDADRP Cc1ccncc1NC(=[NH2+])NCCCC[NH3+] ZINC001167879082 961451758 /nfs/dbraw/zinc/45/17/58/961451758.db2.gz SAOSOKBPGCBHBD-UHFFFAOYSA-N 2 0 221.308 1.065 20 0 BDADRP C[NH+]1CCC(C[NH+]2CC([C@@H]3CCOC3)C2)CC1 ZINC000894149081 961970062 /nfs/dbraw/zinc/97/00/62/961970062.db2.gz OGNOIQNENRYCOG-CYBMUJFWSA-N 2 0 238.375 1.297 20 0 BDADRP C[NH+](C)CCN(CC[NH+](C)C)[C@H]1C[C@H]2C[C@H]2C1 ZINC001167941481 962192381 /nfs/dbraw/zinc/19/23/81/962192381.db2.gz ZHXNKLNLJKKEEB-WDNDVIMCSA-N 2 0 239.407 1.210 20 0 BDADRP Nc1cc[nH+]c(N[C@@]23CCC[C@@H]2[NH2+]CC3)c1 ZINC001155402319 963065958 /nfs/dbraw/zinc/06/59/58/963065958.db2.gz JDPCNLGFLMGJEB-CMPLNLGQSA-N 2 0 218.304 1.360 20 0 BDADRP Cc1c[nH+]c(N[C@@H]2COCCC23C[NH2+]C3)c(C)c1 ZINC001155471068 963084809 /nfs/dbraw/zinc/08/48/09/963084809.db2.gz YITYLBSAOHPNMG-GFCCVEGCSA-N 2 0 247.342 1.489 20 0 BDADRP C[C@@H](C[NH+](C)C)Nc1cc(-n2ccnc2)cc[nH+]1 ZINC001155920571 963206543 /nfs/dbraw/zinc/20/65/43/963206543.db2.gz FLFPPZACJWRBNE-NSHDSACASA-N 2 0 245.330 1.629 20 0 BDADRP C=Cc1ccc(NC(=[NH2+])NCCCC[NH3+])nc1 ZINC001157098813 963530871 /nfs/dbraw/zinc/53/08/71/963530871.db2.gz AJDFJFHXOSCHGH-UHFFFAOYSA-N 2 0 233.319 1.400 20 0 BDADRP [NH2+]=C(NCCCC[NH3+])Nc1ccc2c(n1)CCC2 ZINC001157096915 963531152 /nfs/dbraw/zinc/53/11/52/963531152.db2.gz OZOCGIFKYBFBJV-UHFFFAOYSA-N 2 0 247.346 1.245 20 0 BDADRP COc1cc[nH+]c(NC2(C)CC[NH2+]CC2)c1 ZINC001157397612 963597399 /nfs/dbraw/zinc/59/73/99/963597399.db2.gz UGBCAYAXSNSVPU-UHFFFAOYSA-N 2 0 221.304 1.644 20 0 BDADRP Cc1cnc(NC2(C)CC[NH2+]CC2)c(C[NH3+])c1 ZINC001157402922 963597930 /nfs/dbraw/zinc/59/79/30/963597930.db2.gz IWDYTDQKXNZFPC-UHFFFAOYSA-N 2 0 234.347 1.403 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCO1 ZINC001168076652 963617419 /nfs/dbraw/zinc/61/74/19/963617419.db2.gz ZBTCGFHPWPIASL-XGFWRYKXSA-N 2 0 238.375 1.769 20 0 BDADRP C[C@@H]1[C@@H]([NH3+])CCCN1c1cc(C[NH+](C)C)ccn1 ZINC001157746818 963715457 /nfs/dbraw/zinc/71/54/57/963715457.db2.gz NWDJMIGVZOGOCS-YPMHNXCESA-N 2 0 248.374 1.459 20 0 BDADRP Cc1cnc(N(C(C)C)[C@H]2CC[NH2+]C2)c(C[NH3+])c1 ZINC001158032562 963795809 /nfs/dbraw/zinc/79/58/09/963795809.db2.gz IBEJQXIVOASGPY-ZDUSSCGKSA-N 2 0 248.374 1.425 20 0 BDADRP Cc1cnc(N(C(C)C)[C@@H]2CC[NH2+]C2)c(C[NH3+])c1 ZINC001158032561 963796333 /nfs/dbraw/zinc/79/63/33/963796333.db2.gz IBEJQXIVOASGPY-CYBMUJFWSA-N 2 0 248.374 1.425 20 0 BDADRP C[C@@H]1C[C@@H]([NH+]2CC3(C2)CC[NH+](C)CC3)CCO1 ZINC001168134926 963828020 /nfs/dbraw/zinc/82/80/20/963828020.db2.gz DPJBRSCCCFLCMW-OLZOCXBDSA-N 2 0 238.375 1.582 20 0 BDADRP CCN(c1cc(N(C)C)cc[nH+]1)[C@@H]1CCC[NH2+]C1 ZINC001158203667 963830465 /nfs/dbraw/zinc/83/04/65/963830465.db2.gz BQRGHKNPXQDWDB-CYBMUJFWSA-N 2 0 248.374 1.726 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)CCO1 ZINC001168139376 963841263 /nfs/dbraw/zinc/84/12/63/963841263.db2.gz SDWMYLZXZGZXJN-MCIONIFRSA-N 2 0 238.375 1.582 20 0 BDADRP COc1ccc2c(c1)C[C@@H]([NH2+]CCC[NH+](C)C)C2 ZINC001168225190 964006606 /nfs/dbraw/zinc/00/66/06/964006606.db2.gz VDSNGGOKVRQATP-AWEZNQCLSA-N 2 0 248.370 1.704 20 0 BDADRP [NH3+]Cc1cncc(NC=CC2CC[NH2+]CC2)c1 ZINC001159303685 964057856 /nfs/dbraw/zinc/05/78/56/964057856.db2.gz IGNKINNEEMRFBP-ZZXKWVIFSA-N 2 0 232.331 1.466 20 0 BDADRP [NH3+]C1(c2ccc(NC3=CC[NH2+]C3)cc2)CCC1 ZINC001159730234 964165885 /nfs/dbraw/zinc/16/58/85/964165885.db2.gz LSXNLFNDIKWFSA-UHFFFAOYSA-N 2 0 229.327 1.924 20 0 BDADRP Cc1cc(Cl)cc(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001159780052 964195021 /nfs/dbraw/zinc/19/50/21/964195021.db2.gz OTWIACYSEHJWJB-SECBINFHSA-N 2 0 228.727 1.479 20 0 BDADRP CCCc1cc(N[C@@H]([NH3+])CCC[NH3+])nc(C)n1 ZINC001159787078 964199102 /nfs/dbraw/zinc/19/91/02/964199102.db2.gz QXTCJYUBQDVNFA-LLVKDONJSA-N 2 0 237.351 1.173 20 0 BDADRP CSCc1ccnc(N[C@@H]([NH3+])CCC[NH3+])c1 ZINC001159788434 964199280 /nfs/dbraw/zinc/19/92/80/964199280.db2.gz IIYWRZJUBSJOGY-SNVBAGLBSA-N 2 0 240.376 1.380 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1nccc2cnccc21 ZINC001159786590 964200101 /nfs/dbraw/zinc/20/01/01/964200101.db2.gz FCJDXNKFNJMDNG-LLVKDONJSA-N 2 0 231.303 1.065 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1cc2ccc(F)cc2cn1 ZINC001159789301 964201794 /nfs/dbraw/zinc/20/17/94/964201794.db2.gz RTXLTVVPDRVCHH-LBPRGKRZSA-N 2 0 248.305 1.810 20 0 BDADRP CC(C)[NH+](C)CC(=O)N(C)CC[N@@H+](C)C(C)C ZINC001272178641 964295914 /nfs/dbraw/zinc/29/59/14/964295914.db2.gz NTKHYFQUMVXWMB-UHFFFAOYSA-N 2 0 243.395 1.125 20 0 BDADRP C[NH+](C)C1CCC([NH2+]CC2(F)COC2)CC1 ZINC001168298454 964389214 /nfs/dbraw/zinc/38/92/14/964389214.db2.gz VJZGEXRAHHLJEP-UHFFFAOYSA-N 2 0 230.327 1.187 20 0 BDADRP COC[C@@H]1CC[N@@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168314473 964423057 /nfs/dbraw/zinc/42/30/57/964423057.db2.gz LZCXSXYFKFBTOP-IYXRBSQSSA-N 2 0 240.391 1.828 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2CCC[C@H](O)CC2)CC1 ZINC001168315558 964426520 /nfs/dbraw/zinc/42/65/20/964426520.db2.gz YVZWIFIYLLWREW-RUXDESIVSA-N 2 0 240.391 1.706 20 0 BDADRP C[C@@H]1CC[C@@H](O)C[N@@H+]1C1CCC([NH+](C)C)CC1 ZINC001168315054 964427202 /nfs/dbraw/zinc/42/72/02/964427202.db2.gz QHVSDENOZYXEBG-BLYZHGLHSA-N 2 0 240.391 1.704 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2C[C@@H]3C[C@H]2CO3)CC1 ZINC001168324658 964448378 /nfs/dbraw/zinc/44/83/78/964448378.db2.gz TUWIOGLSBNPZAH-TYUFSLCMSA-N 2 0 224.348 1.332 20 0 BDADRP Cc1cc(N2CCCC2)nc(NC/C=C/C[NH3+])[nH+]1 ZINC001160976715 964467698 /nfs/dbraw/zinc/46/76/98/964467698.db2.gz BXIAGULFUZWJGU-NSCUHMNNSA-N 2 0 247.346 1.312 20 0 BDADRP [NH3+]C/C=C/CNc1ncccc1C[NH+]1CCCC1 ZINC001160982942 964470495 /nfs/dbraw/zinc/47/04/95/964470495.db2.gz UJZASTYFFZXTNP-OWOJBTEDSA-N 2 0 246.358 1.604 20 0 BDADRP C[C@@H]1CN(C(=O)CCCCCCC[NH3+])CC[NH2+]1 ZINC001161015618 964475255 /nfs/dbraw/zinc/47/52/55/964475255.db2.gz GZSNPEKIWSTOKA-GFCCVEGCSA-N 2 0 241.379 1.106 20 0 BDADRP CO[C@@H]1C[C@@H]([NH2+]CC[C@@H](C)[NH+](C)C)C12CCC2 ZINC000697824309 964540219 /nfs/dbraw/zinc/54/02/19/964540219.db2.gz BQYQKKRVHQIBOP-JHJVBQTASA-N 2 0 240.391 1.874 20 0 BDADRP CC[C@](C)(C[NH2+]CC[C@H](C)[NH+](C)C)OC ZINC000697824913 964548451 /nfs/dbraw/zinc/54/84/51/964548451.db2.gz CTMGTTZKCPBFMS-NWDGAFQWSA-N 2 0 216.369 1.731 20 0 BDADRP C[C@H](CCNC(=O)CC[NH2+]C(C)(C)C)[NH+](C)C ZINC000697832902 964554468 /nfs/dbraw/zinc/55/44/68/964554468.db2.gz UGYPSTOIRNAKHA-LLVKDONJSA-N 2 0 243.395 1.221 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)CCCCCCC[NH3+] ZINC001161529911 964621625 /nfs/dbraw/zinc/62/16/25/964621625.db2.gz NGPKJBJPYMODEV-NEPJUHHUSA-N 2 0 241.379 1.234 20 0 BDADRP CC(C)[N@H+](C)CC(=O)NC(C)(C)CC[NH+](C)C ZINC001142590268 964648278 /nfs/dbraw/zinc/64/82/78/964648278.db2.gz PSBHMCGYHWIQNF-UHFFFAOYSA-N 2 0 243.395 1.173 20 0 BDADRP CC[NH+]1CCC(NCC[C@H](C)[NH+](C)C)CC1 ZINC000697907118 964674381 /nfs/dbraw/zinc/67/43/81/964674381.db2.gz AMYQSRKFEHTYSR-LBPRGKRZSA-N 2 0 227.396 1.401 20 0 BDADRP C[NH+]1CCCC[C@H]1CO[C@H]1CCC[N@@H+](C)C1 ZINC001224701146 964885356 /nfs/dbraw/zinc/88/53/56/964885356.db2.gz CZBUEFKQVDPKJK-STQMWFEESA-N 2 0 226.364 1.582 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](OCCC[NH+]2CCCC2)C1 ZINC001224745237 964916899 /nfs/dbraw/zinc/91/68/99/964916899.db2.gz ZBJFQTXIFAAAFK-AWEZNQCLSA-N 2 0 240.391 1.972 20 0 BDADRP [NH3+][C@H]1CCC[C@H](Nc2ccc3c(n2)C[NH2+]CC3)C1 ZINC001162393959 964952334 /nfs/dbraw/zinc/95/23/34/964952334.db2.gz NXGYIJGNENSYEG-RYUDHWBXSA-N 2 0 246.358 1.409 20 0 BDADRP [NH3+]Cc1cc(N[C@@H]2CCC[C@H]([NH3+])C2)ccn1 ZINC001162400286 964959245 /nfs/dbraw/zinc/95/92/45/964959245.db2.gz GUCRULBWQKKLEV-VHSXEESVSA-N 2 0 220.320 1.222 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](Nc2cnc3c(c2)C[NH2+]CC3)C1 ZINC001162401869 964960368 /nfs/dbraw/zinc/96/03/68/964960368.db2.gz MZMFXBHJRJOSQP-NEPJUHHUSA-N 2 0 246.358 1.409 20 0 BDADRP [NH3+]Cc1cccc(N[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC001162405310 964966147 /nfs/dbraw/zinc/96/61/47/964966147.db2.gz UGFGZZGVDAJMAP-ZJUUUORDSA-N 2 0 220.320 1.222 20 0 BDADRP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1ccc[n+](C)c1 ZINC001162469468 964988914 /nfs/dbraw/zinc/98/89/14/964988914.db2.gz BVXHLAUKJDLTML-CHWSQXEVSA-N 2 0 234.367 1.559 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC[C@@H]2C[C@H](F)C[NH2+]2)cc1 ZINC001162477054 964992280 /nfs/dbraw/zinc/99/22/80/964992280.db2.gz BQJQPPPCYXOYTC-GAFUQQFSSA-N 2 0 237.322 1.818 20 0 BDADRP C[C@@H]1C[C@@H](CNc2cc(N)c(F)c[nH+]2)C[NH2+]1 ZINC001162552728 965044578 /nfs/dbraw/zinc/04/45/78/965044578.db2.gz PTCZXLPYTLAAQV-HTQZYQBOSA-N 2 0 224.283 1.213 20 0 BDADRP Cc1cc2cc(N[C@@H]3COC[C@@H]3[NH3+])ccc2c[nH+]1 ZINC001162926422 965213686 /nfs/dbraw/zinc/21/36/86/965213686.db2.gz SFFGWVADIQJJJG-UONOGXRCSA-N 2 0 243.310 1.681 20 0 BDADRP [NH3+]Cc1cccc(N[C@@]23CCC[C@@H]2[NH2+]CC3)c1 ZINC001162984598 965219810 /nfs/dbraw/zinc/21/98/10/965219810.db2.gz LERSZTKMVLVMDG-UONOGXRCSA-N 2 0 231.343 1.842 20 0 BDADRP [NH3+]CCc1ccccc1N[C@H]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001163267015 965319317 /nfs/dbraw/zinc/31/93/17/965319317.db2.gz IGZGCFLXZJYYJA-IPYPFGDCSA-N 2 0 245.370 1.598 20 0 BDADRP CC[N@H+](CCCC(=O)OC)CC1CC[NH2+]CC1 ZINC000094024878 965389801 /nfs/dbraw/zinc/38/98/01/965389801.db2.gz XNCSFCZUQWDTLD-UHFFFAOYSA-N 2 0 242.363 1.261 20 0 BDADRP CCCOCC[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC000714986480 965578609 /nfs/dbraw/zinc/57/86/09/965578609.db2.gz PRBVHMVLIKFBBK-GFCCVEGCSA-N 2 0 214.353 1.487 20 0 BDADRP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(=O)[nH]c2)CC1 ZINC001205093984 965723485 /nfs/dbraw/zinc/72/34/85/965723485.db2.gz IKFFBMAXPYCBIH-LLVKDONJSA-N 2 0 221.304 1.100 20 0 BDADRP Cc1c[nH+]c(N2C[C@H](C)CC[C@@H]2C[NH3+])cc1N ZINC001164073547 965731500 /nfs/dbraw/zinc/73/15/00/965731500.db2.gz MCNAJOZALGBSPL-MWLCHTKSSA-N 2 0 234.347 1.536 20 0 BDADRP Cc1cnc(N2C[C@@H](C)CC[C@H]2C[NH3+])c(C[NH3+])c1 ZINC001164076005 965733021 /nfs/dbraw/zinc/73/30/21/965733021.db2.gz ZJSOHZJHYWSRNF-GWCFXTLKSA-N 2 0 248.374 1.412 20 0 BDADRP C[C@@]1(C[NH3+])CCCN(c2cc(N)ncn2)CC1 ZINC001164247189 965808699 /nfs/dbraw/zinc/80/86/99/965808699.db2.gz GSKFIQGSSJHECZ-GFCCVEGCSA-N 2 0 235.335 1.014 20 0 BDADRP CC[C@@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000699212065 965817623 /nfs/dbraw/zinc/81/76/23/965817623.db2.gz SDPQHICUXNMZRB-WTUNAVPPSA-N 2 0 238.375 1.628 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2COC[C@@H]2CC)C1 ZINC000699485280 965908389 /nfs/dbraw/zinc/90/83/89/965908389.db2.gz OEBKMRWOZVLXID-HZSPNIEDSA-N 2 0 240.391 1.733 20 0 BDADRP Cc1cnc(N2CCC[C@@H]2C[NH+](C)C)c(C[NH3+])c1 ZINC001165075595 965957041 /nfs/dbraw/zinc/95/70/41/965957041.db2.gz AHMVZXFZQDRVAS-CYBMUJFWSA-N 2 0 248.374 1.379 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H]2COC[C@H]2CC)CC1 ZINC000699546793 965963817 /nfs/dbraw/zinc/96/38/17/965963817.db2.gz YFBFQVWRKKHEMG-TZMCWYRMSA-N 2 0 240.391 1.875 20 0 BDADRP CCCCCC[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235051940 965997823 /nfs/dbraw/zinc/99/78/23/965997823.db2.gz CVTQVSIAKXTKDO-ZDUSSCGKSA-N 2 0 225.380 1.204 20 0 BDADRP CCCC[NH2+]CCCNC(=O)CCC[NH+](C)C ZINC001165359529 966063362 /nfs/dbraw/zinc/06/33/62/966063362.db2.gz DDSYCTHRGSBKFI-UHFFFAOYSA-N 2 0 243.395 1.224 20 0 BDADRP C[C@H]1CC[C@@H]([NH3+])CN1C[C@H]([NH3+])Cc1ccccc1 ZINC001235892455 966134839 /nfs/dbraw/zinc/13/48/39/966134839.db2.gz QYSHDAGFWABOQN-NWANDNLSSA-N 2 0 247.386 1.368 20 0 BDADRP CC[C@H](C)C[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165781479 966154203 /nfs/dbraw/zinc/15/42/03/966154203.db2.gz RCOWDXDELMOWTN-LBPRGKRZSA-N 2 0 243.395 1.080 20 0 BDADRP COC1CCC(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001235976830 966188394 /nfs/dbraw/zinc/18/83/94/966188394.db2.gz CCNWZIROQHIWGS-GNRIBBGQSA-N 2 0 238.375 1.615 20 0 BDADRP [NH3+][C@]12CC[C@@H]1CN(Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001235994213 966213623 /nfs/dbraw/zinc/21/36/23/966213623.db2.gz UWTHLHYRFQKKCU-RISCZKNCSA-N 2 0 242.326 1.486 20 0 BDADRP CC1(C[NH3+])C[NH+](CCC2CCOCC2)C1 ZINC001206712214 966259555 /nfs/dbraw/zinc/25/95/55/966259555.db2.gz XGNYGYHRWGGTCN-UHFFFAOYSA-N 2 0 212.337 1.084 20 0 BDADRP CN(C[C@@H]([NH3+])c1ccccc1)[C@@]1(C)CCC[NH2+]C1 ZINC001236203405 966306990 /nfs/dbraw/zinc/30/69/90/966306990.db2.gz YAJQGRWIAHYPAB-CABCVRRESA-N 2 0 247.386 1.760 20 0 BDADRP CN(C[C@@H]([NH3+])c1ccccc1)[C@]1(C)CCC[NH2+]C1 ZINC001236203410 966307898 /nfs/dbraw/zinc/30/78/98/966307898.db2.gz YAJQGRWIAHYPAB-HUUCEWRRSA-N 2 0 247.386 1.760 20 0 BDADRP OCCCCC[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314164 966362644 /nfs/dbraw/zinc/36/26/44/966362644.db2.gz ILKDYDHHLWCYRG-BETUJISGSA-N 2 0 226.364 1.080 20 0 BDADRP C[NH2+]C[C@H]1CCCN1CC[C@@H]1CCCC[NH2+]1 ZINC001236421907 966423822 /nfs/dbraw/zinc/42/38/22/966423822.db2.gz WYSTZMINECZSPX-QWHCGFSZSA-N 2 0 225.380 1.202 20 0 BDADRP Cc1cc2[nH]ccc2c(N2C[C@@H]([NH3+])[C@@H](F)C2)[nH+]1 ZINC001166930185 966443099 /nfs/dbraw/zinc/44/30/99/966443099.db2.gz PNUYNGVNKJAAKX-VHSXEESVSA-N 2 0 234.278 1.357 20 0 BDADRP CC[N@H+](C)CCCN(C)C(=O)CCC[NH+](C)C ZINC001484755394 966512883 /nfs/dbraw/zinc/51/28/83/966512883.db2.gz YVCXPFBAXPJRIZ-UHFFFAOYSA-N 2 0 243.395 1.128 20 0 BDADRP C[C@H]([NH3+])CN(C)Cc1ccc2nccnc2c1 ZINC001236885897 966611748 /nfs/dbraw/zinc/61/17/48/966611748.db2.gz WWDJIEHYIQFKRZ-JTQLQIEISA-N 2 0 230.315 1.409 20 0 BDADRP Cc1cncc(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)c1 ZINC001205222035 966879685 /nfs/dbraw/zinc/87/96/85/966879685.db2.gz ZUDKZFZOFQZDTB-AWEZNQCLSA-N 2 0 249.358 1.066 20 0 BDADRP C[NH+]1CCC2(C[NH+](Cc3ccncc3)C2)CC1 ZINC001204081933 966886353 /nfs/dbraw/zinc/88/63/53/966886353.db2.gz UHTNSCJIMHEBRA-UHFFFAOYSA-N 2 0 231.343 1.609 20 0 BDADRP CCC1(Nc2[nH+]ccc3c2CCN3)C[NH2+]C1 ZINC001168580430 966909940 /nfs/dbraw/zinc/90/99/40/966909940.db2.gz KDAZWCQYSPENBN-UHFFFAOYSA-N 2 0 218.304 1.214 20 0 BDADRP COC[C@@H](C)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715490050 966919803 /nfs/dbraw/zinc/91/98/03/966919803.db2.gz ILRSMXSAYNVCGM-PNESKVBLSA-N 2 0 228.380 1.874 20 0 BDADRP CCC1(Nc2c[nH+]cc3cc[nH]c32)C[NH2+]C1 ZINC001168584062 966933602 /nfs/dbraw/zinc/93/36/02/966933602.db2.gz XSILWPPBVAMUFH-UHFFFAOYSA-N 2 0 216.288 1.727 20 0 BDADRP CCC(=O)Nc1cc(NC2(CC)C[NH2+]C2)cc[nH+]1 ZINC001168587351 966946013 /nfs/dbraw/zinc/94/60/13/966946013.db2.gz RXXIBZSYZOSJFP-UHFFFAOYSA-N 2 0 248.330 1.594 20 0 BDADRP C[C@@H]1CC[C@H](N[C@H]2CCC[C@H]([NH+](C)C)C2)C[NH2+]1 ZINC000715554812 967155538 /nfs/dbraw/zinc/15/55/38/967155538.db2.gz YGNGVQOOYYPSIO-RFGFWPKPSA-N 2 0 239.407 1.589 20 0 BDADRP C[C@]1([NH3+])CCN(C[C@@H]([NH3+])c2ccccc2)C1 ZINC001204763905 967155528 /nfs/dbraw/zinc/15/55/28/967155528.db2.gz RYHBPCOLIGVEKD-OLZOCXBDSA-N 2 0 219.332 1.110 20 0 BDADRP C[C@H]1CC[N@H+](CC2CC[NH+](C)CC2)[C@@H]1CO ZINC000691346669 967236319 /nfs/dbraw/zinc/23/63/19/967236319.db2.gz CUHRLPIXKFBTLH-WCQYABFASA-N 2 0 226.364 1.031 20 0 BDADRP [NH3+]C[C@H]1CCCCN1CC[C@@H]1CCCC[NH2+]1 ZINC001204925366 967240301 /nfs/dbraw/zinc/24/03/01/967240301.db2.gz RSFAHHHTRZVFIL-QWHCGFSZSA-N 2 0 225.380 1.332 20 0 BDADRP C[C@]1([NH3+])CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC001204938498 967245710 /nfs/dbraw/zinc/24/57/10/967245710.db2.gz MJFVJSXDTYDIMB-OLZOCXBDSA-N 3 0 225.380 1.189 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCC[C@](C)(O)C2)CC1 ZINC000691350163 967261533 /nfs/dbraw/zinc/26/15/33/967261533.db2.gz NQNDGLCECOXPHV-ZDUSSCGKSA-N 2 0 226.364 1.175 20 0 BDADRP [NH3+]CC1CC[NH+](C[C@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC001205025686 967292515 /nfs/dbraw/zinc/29/25/15/967292515.db2.gz CVKFGCQBTSLZRL-BFHYXJOUSA-N 2 0 220.360 1.869 20 0 BDADRP CCc1csc(C[NH+]2CCC(C[NH3+])CC2)n1 ZINC001205047545 967306955 /nfs/dbraw/zinc/30/69/55/967306955.db2.gz YWWACZRAKHVBRJ-UHFFFAOYSA-N 2 0 239.388 1.876 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2cc(F)ccn2)CC1 ZINC001205047214 967309940 /nfs/dbraw/zinc/30/99/40/967309940.db2.gz RJMSMKSGNWGOAK-UHFFFAOYSA-N 2 0 223.295 1.391 20 0 BDADRP Cc1c[nH]c(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c1C ZINC001205110634 967357816 /nfs/dbraw/zinc/35/78/16/967357816.db2.gz XKWUJBJOBWXYJV-GFCCVEGCSA-N 2 0 221.348 1.945 20 0 BDADRP Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]([NH3+])CC2)n1 ZINC001205110604 967359447 /nfs/dbraw/zinc/35/94/47/967359447.db2.gz WXCCIUIGGMPXQK-LLVKDONJSA-N 2 0 235.331 1.409 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)CC1 ZINC001205131400 967374628 /nfs/dbraw/zinc/37/46/28/967374628.db2.gz XTXXSXMQJHKCAN-GXTWGEPZSA-N 3 0 239.407 1.245 20 0 BDADRP C[C@H]1C[N@H+](CC[C@@H]2CCCC[NH2+]2)C[C@H]1C[NH3+] ZINC001205130524 967378585 /nfs/dbraw/zinc/37/85/85/967378585.db2.gz GZUBZDHPMCPYNV-XQQFMLRXSA-N 2 0 225.380 1.045 20 0 BDADRP COc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(C)n1 ZINC001205146387 967387544 /nfs/dbraw/zinc/38/75/44/967387544.db2.gz TWDQVJAXGCAYHJ-GXFFZTMASA-N 2 0 249.358 1.425 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCN1C[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001205177561 967409000 /nfs/dbraw/zinc/40/90/00/967409000.db2.gz VDVNQHYZGKAKAA-BYCMXARLSA-N 2 0 245.370 1.122 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCN1Cc1ccnc2[nH]ccc21 ZINC001205189590 967417497 /nfs/dbraw/zinc/41/74/97/967417497.db2.gz CWFJGQFWIVXQHB-BXKDBHETSA-N 2 0 230.315 1.484 20 0 BDADRP Cc1ccc(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)nc1 ZINC001205228376 967428819 /nfs/dbraw/zinc/42/88/19/967428819.db2.gz DVPSWTMUDXVGFI-CQSZACIVSA-N 2 0 249.358 1.066 20 0 BDADRP CCC[C@@H](C)C[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205209687 967430261 /nfs/dbraw/zinc/43/02/61/967430261.db2.gz JWPXLDALLGVCAU-OLZOCXBDSA-N 2 0 228.380 1.598 20 0 BDADRP CCC[C@H](C)C[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205209689 967431053 /nfs/dbraw/zinc/43/10/53/967431053.db2.gz JWPXLDALLGVCAU-STQMWFEESA-N 2 0 228.380 1.598 20 0 BDADRP C[C@]1([NH3+])CCC[N@H+](CCCn2cccn2)CC1 ZINC001205256228 967443453 /nfs/dbraw/zinc/44/34/53/967443453.db2.gz OAWMIIDMGPDBBO-ZDUSSCGKSA-N 2 0 236.363 1.477 20 0 BDADRP C[C@@]1([NH3+])CCC[N@H+](CCC23CC([NH3+])(C2)C3)CC1 ZINC001205255104 967444872 /nfs/dbraw/zinc/44/48/72/967444872.db2.gz GUQDBPBIPCFQIT-IYXRBSQSSA-N 3 0 237.391 1.461 20 0 BDADRP C[C@]1([NH3+])CCC[N@H+](CC2CC[NH2+]CC2)CC1 ZINC001205256905 967446987 /nfs/dbraw/zinc/44/69/87/967446987.db2.gz SBHWFQRAOGFWLV-ZDUSSCGKSA-N 3 0 225.380 1.189 20 0 BDADRP CCC1(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)COC1 ZINC001205255865 967447896 /nfs/dbraw/zinc/44/78/96/967447896.db2.gz MKEREAGPEFBTNG-GFCCVEGCSA-N 2 0 226.364 1.616 20 0 BDADRP c1[nH+]cn2cc(CC[NH+]3CCCC3)ccc12 ZINC001250168175 967466230 /nfs/dbraw/zinc/46/62/30/967466230.db2.gz PBUVPJHMJZWMML-UHFFFAOYSA-N 2 0 215.300 1.973 20 0 BDADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2cccnc2)CC1 ZINC001205545320 967662417 /nfs/dbraw/zinc/66/24/17/967662417.db2.gz CZPHAAOLLWEZMN-ZDUSSCGKSA-N 2 0 237.322 1.735 20 0 BDADRP [NH3+]C[C@]1(F)CCCN(C[C@H]2CCCC[NH2+]2)CC1 ZINC001205537982 967674414 /nfs/dbraw/zinc/67/44/14/967674414.db2.gz LCSDWAGWRRBDSQ-OLZOCXBDSA-N 2 0 243.370 1.281 20 0 BDADRP COC(=O)CCC[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205539157 967681930 /nfs/dbraw/zinc/68/19/30/967681930.db2.gz TUHGTSRYMVSCQT-GFCCVEGCSA-N 2 0 246.326 1.093 20 0 BDADRP Cn1nccc1C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205545542 967692498 /nfs/dbraw/zinc/69/24/98/967692498.db2.gz JBVNRDMTOOJYJG-LBPRGKRZSA-N 2 0 240.326 1.073 20 0 BDADRP C[C@@H]1CC[N@H+](CCCCCC[NH3+])CC[C@H]1C[NH3+] ZINC001205604308 967723007 /nfs/dbraw/zinc/72/30/07/967723007.db2.gz UTIOZMYZCDRXCV-KGLIPLIRSA-N 3 0 241.423 1.812 20 0 BDADRP C[C@H]1CC[N@H+](Cc2cnccn2)CC[C@H]1C[NH3+] ZINC001205617888 967724268 /nfs/dbraw/zinc/72/42/68/967724268.db2.gz OUAYIWULYZEWBR-RYUDHWBXSA-N 2 0 234.347 1.283 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2ccncn2)CC[C@@H]1C[NH3+] ZINC001205627496 967735539 /nfs/dbraw/zinc/73/55/39/967735539.db2.gz QCUODUKSGPGXCS-VXGBXAGGSA-N 2 0 234.347 1.283 20 0 BDADRP C[C@@H]1CCN(Cc2csnn2)CC[C@H]1C[NH3+] ZINC001205627120 967737321 /nfs/dbraw/zinc/73/73/21/967737321.db2.gz MWISUDPDQWKZMG-ZJUUUORDSA-N 2 0 240.376 1.345 20 0 BDADRP Cc1nonc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205655368 967749293 /nfs/dbraw/zinc/74/92/93/967749293.db2.gz ZPFVIUMSOBLGDT-MWLCHTKSSA-N 2 0 238.335 1.185 20 0 BDADRP [NH3+]CCc1ccccc1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001162402443 967828966 /nfs/dbraw/zinc/82/89/66/967828966.db2.gz RRVADSDZSWCQCV-QWHCGFSZSA-N 2 0 233.359 1.870 20 0 BDADRP C[C@@H]1CCN(CC[C@H]2CCCC[NH2+]2)C[C@@H]1[NH3+] ZINC001205863399 967863812 /nfs/dbraw/zinc/86/38/12/967863812.db2.gz QONLOBRTWLTEQW-UPJWGTAASA-N 2 0 225.380 1.188 20 0 BDADRP Cc1cc(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)n(C)n1 ZINC001205898157 967877883 /nfs/dbraw/zinc/87/78/83/967877883.db2.gz ZOYKFUGNGCABQC-OLZOCXBDSA-N 2 0 248.374 1.112 20 0 BDADRP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001205903496 967879643 /nfs/dbraw/zinc/87/96/43/967879643.db2.gz PRTJJPDRACVHGJ-HZSPNIEDSA-N 3 0 239.407 1.435 20 0 BDADRP [NH3+][C@H](CN1CCCC[C@@H]([NH3+])C1)c1ccccc1 ZINC001205923439 967886936 /nfs/dbraw/zinc/88/69/36/967886936.db2.gz NXFXRUOVBSILKN-ZIAGYGMSSA-N 2 0 233.359 1.500 20 0 BDADRP [NH3+][C@@H]1CC[N@H+](CCCC2CCCCC2)C[C@H]1O ZINC001205947045 967896026 /nfs/dbraw/zinc/89/60/26/967896026.db2.gz VWQLJDHSJJDRFB-ZIAGYGMSSA-N 2 0 240.391 1.741 20 0 BDADRP CCO[C@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000706397634 967915659 /nfs/dbraw/zinc/91/56/59/967915659.db2.gz PYXADTVVXODULO-GSPSYOTPSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccncc2)CCC[C@@H]1C[NH3+] ZINC001205996391 967949226 /nfs/dbraw/zinc/94/92/26/967949226.db2.gz WSWLFXZWXUGSEA-GXTWGEPZSA-N 2 0 233.359 1.888 20 0 BDADRP Cc1ncoc1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206003394 967957039 /nfs/dbraw/zinc/95/70/39/967957039.db2.gz HMNPVRXMQOYXJW-CMPLNLGQSA-N 2 0 237.347 1.790 20 0 BDADRP C[C@H]1C[N@H+](Cc2cnco2)CCC[C@H]1C[NH3+] ZINC001206004781 967958550 /nfs/dbraw/zinc/95/85/50/967958550.db2.gz VIUPGCCHIFUMPB-QWRGUYRKSA-N 2 0 223.320 1.481 20 0 BDADRP Cc1ncncc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206024529 967980787 /nfs/dbraw/zinc/98/07/87/967980787.db2.gz JSNNUPCLZRYHEO-AAEUAGOBSA-N 2 0 248.374 1.592 20 0 BDADRP C[C@H]1C[NH2+]CCCN1CC1(C)CC[NH2+]CC1 ZINC001206257693 968164406 /nfs/dbraw/zinc/16/44/06/968164406.db2.gz HTUCXYXRLBHQFD-LBPRGKRZSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@H]1C[NH2+]CCCN1Cc1ccc2c(c1)C[NH2+]C2 ZINC001206262640 968183939 /nfs/dbraw/zinc/18/39/39/968183939.db2.gz CMDVNMSZXGXLAF-LBPRGKRZSA-N 2 0 245.370 1.474 20 0 BDADRP C[C@H]1C[NH2+]CCN(C[C@@H]([NH3+])c2ccccc2)C1 ZINC001206269118 968186618 /nfs/dbraw/zinc/18/66/18/968186618.db2.gz BUFXVFMBWOHLQJ-GXTWGEPZSA-N 2 0 233.359 1.228 20 0 BDADRP C[C@H]1C[NH2+]CCN(CC[C@H]2CCCC[NH2+]2)C1 ZINC001206269858 968188167 /nfs/dbraw/zinc/18/81/67/968188167.db2.gz WUVDSGFOOCSZHT-QWHCGFSZSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@H+](C[C@H]2CCC[NH2+]C2)CC1 ZINC001206296136 968203729 /nfs/dbraw/zinc/20/37/29/968203729.db2.gz PPRYKLNQMDWJFV-UONOGXRCSA-N 3 0 239.407 1.437 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2cn[nH]c2)CC1 ZINC001206296413 968205938 /nfs/dbraw/zinc/20/59/38/968205938.db2.gz SPBWZDQVZNCZIJ-LBPRGKRZSA-N 2 0 222.336 1.361 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2ncccn2)CC1 ZINC001206305255 968216124 /nfs/dbraw/zinc/21/61/24/968216124.db2.gz XKQXINMTWKXOBG-CYBMUJFWSA-N 2 0 234.347 1.428 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2cc[nH]c2)CC1 ZINC001206310877 968218822 /nfs/dbraw/zinc/21/88/22/968218822.db2.gz DVBMYWLLNRDNBH-ZDUSSCGKSA-N 2 0 221.348 1.966 20 0 BDADRP [NH3+][C@]12C[C@H]1CN(c1[nH+]ccc3[nH]ccc31)C2 ZINC001165315660 968281273 /nfs/dbraw/zinc/28/12/73/968281273.db2.gz WREOJJMGKUEYEK-UFBFGSQYSA-N 2 0 214.272 1.100 20 0 BDADRP CN(C)c1cc[nH+]c(N2CCC[C@H]3[NH2+]C[C@H]32)c1 ZINC001165390930 968284859 /nfs/dbraw/zinc/28/48/59/968284859.db2.gz MFGQMPXLQUPAIH-VXGBXAGGSA-N 2 0 232.331 1.088 20 0 BDADRP [NH3+]C[C@H]1C[N@H+](Cc2coc3ccccc23)C[C@H]1O ZINC001206474526 968329361 /nfs/dbraw/zinc/32/93/61/968329361.db2.gz DFULPMCVTCUHPN-GXFFZTMASA-N 2 0 246.310 1.184 20 0 BDADRP Cc1cc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)sc1C ZINC001206480597 968335892 /nfs/dbraw/zinc/33/58/92/968335892.db2.gz DWFWIBDZDHSUPP-CMPLNLGQSA-N 2 0 240.372 1.116 20 0 BDADRP C[C@]1(C[NH3+])CCCC[N@H+](C[C@@H]2CCCOC2)C1 ZINC001206541991 968367252 /nfs/dbraw/zinc/36/72/52/968367252.db2.gz OQHSVHCKPHFCEI-UONOGXRCSA-N 2 0 240.391 1.864 20 0 BDADRP [NH3+]C[C@@H]1CCCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC001206606565 968413185 /nfs/dbraw/zinc/41/31/85/968413185.db2.gz PKZQKCJUICJTHR-AWEZNQCLSA-N 2 0 239.407 1.437 20 0 BDADRP [NH3+]C[C@H]1CCCCN(CC[C@@H]2CCCC[NH2+]2)C1 ZINC001206606354 968416431 /nfs/dbraw/zinc/41/64/31/968416431.db2.gz LOENEQPXXQTRJN-KGLIPLIRSA-N 3 0 239.407 1.579 20 0 BDADRP [NH3+]C[C@H]1CCCC[N@H+](Cc2ccc(=O)[nH]c2)C1 ZINC001206616406 968418956 /nfs/dbraw/zinc/41/89/56/968418956.db2.gz NSZLTXAFHXAERR-LLVKDONJSA-N 2 0 235.331 1.348 20 0 BDADRP CNc1ncccc1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206617061 968420712 /nfs/dbraw/zinc/42/07/12/968420712.db2.gz ZRPIHLIOQHRFDV-GFCCVEGCSA-N 2 0 248.374 1.684 20 0 BDADRP CCOCCOCC[NH2+]C1CCC(C[NH3+])CC1 ZINC001119632621 968444181 /nfs/dbraw/zinc/44/41/81/968444181.db2.gz WXIMBEXIBHFLNA-UHFFFAOYSA-N 2 0 244.379 1.147 20 0 BDADRP C[N@@H+]1CC[C@H]2[C@@H]1CCN2C[C@H]1CCC[NH+](C)C1 ZINC001276496426 968492988 /nfs/dbraw/zinc/49/29/88/968492988.db2.gz BQKKBOJLNLZPKE-IHRRRGAJSA-N 2 0 237.391 1.107 20 0 BDADRP CCCC[C@@H](O)C[NH2+]C(C)(C)CC[NH+](C)C ZINC001252109900 968592753 /nfs/dbraw/zinc/59/27/53/968592753.db2.gz FYSHRKJYXYNLSR-GFCCVEGCSA-N 2 0 230.396 1.857 20 0 BDADRP CCCC[C@@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001252108792 968593459 /nfs/dbraw/zinc/59/34/59/968593459.db2.gz SLJMNSJFUZEIHP-XJFOESAGSA-N 2 0 240.391 1.752 20 0 BDADRP CCCC[C@@H](O)C[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC001252113367 968597866 /nfs/dbraw/zinc/59/78/66/968597866.db2.gz YPWFWTUZZZVAHP-QWHCGFSZSA-N 2 0 228.380 1.611 20 0 BDADRP CCCC[C@@H](O)C[NH2+][C@H]1CC[C@@H]([NH+](C)C)CC1 ZINC001252123254 968609048 /nfs/dbraw/zinc/60/90/48/968609048.db2.gz QSWQSZVPKAPVTQ-HZSPNIEDSA-N 2 0 242.407 2.000 20 0 BDADRP CN(CCC[NH+](C)C)CC(C)(C)C[NH+](C)C ZINC001207274325 968705554 /nfs/dbraw/zinc/70/55/54/968705554.db2.gz BDAHRWSCXRCLGQ-UHFFFAOYSA-N 2 0 229.412 1.458 20 0 BDADRP C[C@H]1CC[N@H+](CC2CC[NH+](C)CC2)CC[C@@H]1O ZINC001207391662 968747608 /nfs/dbraw/zinc/74/76/08/968747608.db2.gz KSJUXIYTDPPDQY-JSGCOSHPSA-N 2 0 240.391 1.421 20 0 BDADRP CC[N@H+](CCN(C)C)CC1CC[NH+](C)CC1 ZINC001207392190 968748365 /nfs/dbraw/zinc/74/83/65/968748365.db2.gz VVKMRGBUOGRSGV-UHFFFAOYSA-N 2 0 227.396 1.212 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1CN(CC1CC[NH+](C)CC1)C2 ZINC001207399134 968749392 /nfs/dbraw/zinc/74/93/92/968749392.db2.gz CGJDZUGHGWNAEF-OKILXGFUSA-N 2 0 237.391 1.107 20 0 BDADRP Cn1ncc2c1C[N@H+](CC1CC[NH+](C)CC1)CC2 ZINC001207399799 968749479 /nfs/dbraw/zinc/74/94/79/968749479.db2.gz SYZQRRHVWAYDMF-UHFFFAOYSA-N 2 0 248.374 1.120 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CC[C@]23CCOC3)CC1 ZINC001207400292 968749801 /nfs/dbraw/zinc/74/98/01/968749801.db2.gz DFXQXGIGQQUQGJ-CYBMUJFWSA-N 2 0 224.348 1.193 20 0 BDADRP C[NH+]1CCC(C[NH+]2CC(c3cccnc3)C2)CC1 ZINC001207399099 968752141 /nfs/dbraw/zinc/75/21/41/968752141.db2.gz ZSEZNZCRJMFKDG-UHFFFAOYSA-N 2 0 245.370 1.823 20 0 BDADRP O[C@@]1(CF)CCCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC001207436994 968769898 /nfs/dbraw/zinc/76/98/98/968769898.db2.gz ZGXGSBUKUNZKIZ-CYBMUJFWSA-N 2 0 244.354 1.173 20 0 BDADRP C[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCC[C@H]1O ZINC001207436370 968770213 /nfs/dbraw/zinc/77/02/13/968770213.db2.gz IUGPLQGYGYEBIF-WCQYABFASA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@]1(CF)CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC001207436586 968770620 /nfs/dbraw/zinc/77/06/20/968770620.db2.gz OQPLLFUIJQKUMK-LBPRGKRZSA-N 2 0 214.328 1.668 20 0 BDADRP CC(C)N(C)[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC001207440878 968775533 /nfs/dbraw/zinc/77/55/33/968775533.db2.gz IWEOYWYLVPSPDS-AWEZNQCLSA-N 2 0 239.407 1.401 20 0 BDADRP c1cc2c(o1)CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001207441120 968776099 /nfs/dbraw/zinc/77/60/99/968776099.db2.gz ROKMOMASNHQTAR-UHFFFAOYSA-N 2 0 220.316 1.637 20 0 BDADRP C[N@H+](CCC1CC[NH+](C)CC1)Cc1ccno1 ZINC001207487747 968803816 /nfs/dbraw/zinc/80/38/16/968803816.db2.gz QCONJVYFOSONHS-UHFFFAOYSA-N 2 0 237.347 1.838 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCSC3)[C@H]2C1 ZINC001207838135 968896389 /nfs/dbraw/zinc/89/63/89/968896389.db2.gz WGTUKRFCNHMBNZ-USZNOCQGSA-N 2 0 226.389 1.422 20 0 BDADRP Cc1cnc(C2=CC[N@H+](C)CC2)nc1C1C[NH2+]C1 ZINC001241317045 968974230 /nfs/dbraw/zinc/97/42/30/968974230.db2.gz HPOMNHNLRQWVRL-UHFFFAOYSA-N 2 0 244.342 1.191 20 0 BDADRP COCC[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405325813 968981480 /nfs/dbraw/zinc/98/14/80/968981480.db2.gz WZQQWYSRWZBQAU-AXFHLTTASA-N 2 0 212.337 1.271 20 0 BDADRP Cc1cc(C)[nH+]c(NC[C@]23C[NH2+]C[C@H]2COC3)c1 ZINC001155510310 968989472 /nfs/dbraw/zinc/98/94/72/968989472.db2.gz RUVUGRPCOJEGHN-JSGCOSHPSA-N 2 0 247.342 1.346 20 0 BDADRP C[NH+]1CCC(C)(C[N@@H+]2CC[C@H]3OCC[C@H]32)CC1 ZINC001208108076 969000013 /nfs/dbraw/zinc/00/00/13/969000013.db2.gz PMAJRVHDGVHQBN-CHWSQXEVSA-N 2 0 238.375 1.582 20 0 BDADRP C[NH+](C)CCN1CC[NH+](C2CCCC2)CC1 ZINC001208126362 969018885 /nfs/dbraw/zinc/01/88/85/969018885.db2.gz GUHUXYOKUCTVHA-UHFFFAOYSA-N 2 0 225.380 1.108 20 0 BDADRP C[N@@H+]1CCC=C(c2ccc(OC3C[NH2+]C3)cn2)C1 ZINC001241569764 969058475 /nfs/dbraw/zinc/05/84/75/969058475.db2.gz AAUIYEQQHNLWPK-UHFFFAOYSA-N 2 0 245.326 1.151 20 0 BDADRP CC[NH+](CC)C[C@@H](O)C[N@@H+]1C[C@H](C)CC12CC2 ZINC001253194127 969108362 /nfs/dbraw/zinc/10/83/62/969108362.db2.gz JMCLDAHWNYUONE-CHWSQXEVSA-N 2 0 240.391 1.564 20 0 BDADRP C[C@@H]1C[C@H](O)C[N@@H+]1CC1(C[NH+](C)C)CCCC1 ZINC001208185179 969118577 /nfs/dbraw/zinc/11/85/77/969118577.db2.gz VVLCGYZTEFZLGH-OLZOCXBDSA-N 2 0 240.391 1.564 20 0 BDADRP C[NH+](C)CC1(C[N@@H+]2CC[C@@H](CO)C2)CCCC1 ZINC001208191194 969123321 /nfs/dbraw/zinc/12/33/21/969123321.db2.gz LAMFGZJIHPVUOQ-CYBMUJFWSA-N 2 0 240.391 1.423 20 0 BDADRP Cc1nc(C)c(CN2CC[C@H]3[C@@H]2CC[N@H+]3C)[nH]1 ZINC001276566650 969132319 /nfs/dbraw/zinc/13/23/19/969132319.db2.gz UYSQVWKRQHGWES-STQMWFEESA-N 2 0 234.347 1.305 20 0 BDADRP CCC[C@H](O)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC001324488101 969139016 /nfs/dbraw/zinc/13/90/16/969139016.db2.gz LVANWJAGQXHFEH-RDBSUJKOSA-N 2 0 242.407 1.810 20 0 BDADRP Cc1c[nH+]c(NC2C[NH+](C(C)C)C2)cc1N ZINC000379109477 969143324 /nfs/dbraw/zinc/14/33/24/969143324.db2.gz TWHLCBPGUMGBRD-UHFFFAOYSA-N 2 0 220.320 1.477 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2C[C@H](O)C[C@H]2C)CC1 ZINC001208592079 969148854 /nfs/dbraw/zinc/14/88/54/969148854.db2.gz CWUPIZJQWNJGQS-DGCLKSJQSA-N 2 0 226.364 1.173 20 0 BDADRP CC(C)CC[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253384541 969149224 /nfs/dbraw/zinc/14/92/24/969149224.db2.gz XYBZWOCQKPIQHV-NSHDSACASA-N 2 0 216.369 1.371 20 0 BDADRP CC[NH+]1CCC(C[NH+]2CCC(OC)CC2)CC1 ZINC001208595845 969152030 /nfs/dbraw/zinc/15/20/30/969152030.db2.gz WFUFYTUQVQLJTC-UHFFFAOYSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2(CC2)C1 ZINC001253396330 969154054 /nfs/dbraw/zinc/15/40/54/969154054.db2.gz WVOXIXIBUKIOND-NWDGAFQWSA-N 2 0 240.391 1.610 20 0 BDADRP CCSCC[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253403252 969156093 /nfs/dbraw/zinc/15/60/93/969156093.db2.gz BCZPJIYIGUWVDR-JTQLQIEISA-N 2 0 234.409 1.078 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)CC1 ZINC001208602809 969156331 /nfs/dbraw/zinc/15/63/31/969156331.db2.gz OATBUKOJLKKLPI-QWHCGFSZSA-N 2 0 240.391 1.828 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CCC[NH+](C)C2)CC[C@@]1(C)O ZINC001208606500 969158670 /nfs/dbraw/zinc/15/86/70/969158670.db2.gz HDAPWXVGCMFYGD-HZSPNIEDSA-N 2 0 240.391 1.421 20 0 BDADRP CC(C)O[C@@H]1CC[N@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208615214 969170789 /nfs/dbraw/zinc/17/07/89/969170789.db2.gz SMRSZLNZFAUNQK-ZIAGYGMSSA-N 2 0 240.391 1.828 20 0 BDADRP CO[C@@H](C)C1C[NH+](C[C@H]2CCC[N@H+](C)C2)C1 ZINC001208616569 969173319 /nfs/dbraw/zinc/17/33/19/969173319.db2.gz KFVSRPZORIOAKR-RYUDHWBXSA-N 2 0 226.364 1.295 20 0 BDADRP C[NH+](C)CCCN1CC[NH+](CCC2CC2)CC1 ZINC001208685205 969195286 /nfs/dbraw/zinc/19/52/86/969195286.db2.gz WKEHGJBQCGJFMC-UHFFFAOYSA-N 2 0 239.407 1.356 20 0 BDADRP CN(C)c1cc[nH+]cc1NC1=CC[N@H+](C)CC1 ZINC001208741352 969225608 /nfs/dbraw/zinc/22/56/08/969225608.db2.gz HVBPEXFFJMWXES-UHFFFAOYSA-N 2 0 232.331 1.779 20 0 BDADRP C[C@@H]1C[N@H+](Cc2c[nH]cn2)CCC[C@@H]1C[NH3+] ZINC001205996055 969296511 /nfs/dbraw/zinc/29/65/11/969296511.db2.gz UIIZMODHSHFHSR-GHMZBOCLSA-N 2 0 222.336 1.217 20 0 BDADRP CC[N@@H+]1CCC[C@H](CNC(=[NH2+])N[C@H]2C[C@H]2C)C1 ZINC001331900113 969307641 /nfs/dbraw/zinc/30/76/41/969307641.db2.gz CADCJDCVMQNIOC-UTUOFQBUSA-N 2 0 238.379 1.241 20 0 BDADRP Cc1cnc(C[NH3+])n1-c1ccc(C2([NH3+])CC2)cc1 ZINC001169029913 969354297 /nfs/dbraw/zinc/35/42/97/969354297.db2.gz YDAXPVIBBYJESN-UHFFFAOYSA-N 2 0 242.326 1.587 20 0 BDADRP C[C@@H](C[NH+](C)C)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169096156 969382800 /nfs/dbraw/zinc/38/28/00/969382800.db2.gz VAEVIKBARYCQOI-ZDEQEGDKSA-N 2 0 225.380 1.151 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1CSC1)C2 ZINC001169098923 969388652 /nfs/dbraw/zinc/38/86/52/969388652.db2.gz MLNRHAPGWJMGHG-CNDDSTCGSA-N 2 0 226.389 1.564 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC1CC[NH+](C)CC1)C2 ZINC001169077846 969398948 /nfs/dbraw/zinc/39/89/48/969398948.db2.gz AHECJUAQIHJTQC-ZSOGYDGISA-N 2 0 237.391 1.295 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CC(F)(F)C1)C2 ZINC001169078421 969400496 /nfs/dbraw/zinc/40/04/96/969400496.db2.gz FIXLKKMHSBBDID-GUDFOSOFSA-N 2 0 230.302 1.999 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(CO)CCCC1)C2 ZINC001169092129 969406199 /nfs/dbraw/zinc/40/61/99/969406199.db2.gz YCGSWDHXUMNEQL-XYYAHUGASA-N 2 0 238.375 1.506 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1O)C2 ZINC001169090888 969408184 /nfs/dbraw/zinc/40/81/84/969408184.db2.gz NGGJODPQQHRGRN-ITGHMWBKSA-N 2 0 238.375 1.505 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC[C@@H]([NH3+])C1)C2 ZINC001169089795 969408423 /nfs/dbraw/zinc/40/84/23/969408423.db2.gz FYOPECNOSNSLMZ-NDBYEHHHSA-N 2 0 223.364 1.035 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCO1 ZINC001169117357 969414940 /nfs/dbraw/zinc/41/49/40/969414940.db2.gz ZBTCGFHPWPIASL-ITGHMWBKSA-N 2 0 238.375 1.769 20 0 BDADRP C[C@H]1COCC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169124206 969420983 /nfs/dbraw/zinc/42/09/83/969420983.db2.gz ASGGRXGJFFICMH-MQYQWHSLSA-N 2 0 238.375 1.580 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@]1(C)CCCOC1)C2 ZINC001169125349 969423095 /nfs/dbraw/zinc/42/30/95/969423095.db2.gz ZPFUFTYUWFWXHA-XJFOESAGSA-N 2 0 238.375 1.770 20 0 BDADRP CO[C@H]1CCC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169125445 969424262 /nfs/dbraw/zinc/42/42/62/969424262.db2.gz IPKBERFUHPEWEF-CRWXNKLISA-N 2 0 238.375 1.722 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC(C3COC3)C1)C2 ZINC001169125769 969425361 /nfs/dbraw/zinc/42/53/61/969425361.db2.gz LABXZQLDTSIMMK-BTTYYORXSA-N 2 0 236.359 1.190 20 0 BDADRP C[NH+](C)[C@H]1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169125483 969425507 /nfs/dbraw/zinc/42/55/07/969425507.db2.gz IVGKFUDIAMGXFF-CRWXNKLISA-N 2 0 237.391 1.248 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(COC3)C1)C2 ZINC001169131669 969439648 /nfs/dbraw/zinc/43/96/48/969439648.db2.gz XOHNVLJOBATELO-ITGUQSILSA-N 2 0 236.359 1.334 20 0 BDADRP COC(=O)C[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169109044 969444198 /nfs/dbraw/zinc/44/41/98/969444198.db2.gz HBRKLHSCNUHNKV-FIQHERPVSA-N 2 0 240.347 1.153 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1[C@@H]3CC[C@H]1C[NH+](C)C3)C2 ZINC001169143332 969459799 /nfs/dbraw/zinc/45/97/99/969459799.db2.gz ZVYRJZMSIMIXCI-SBAKFKMJSA-N 2 0 249.402 1.390 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[NH+]3CCC1CC3)C2 ZINC001169147013 969461644 /nfs/dbraw/zinc/46/16/44/969461644.db2.gz REIPSRQQEKWZAH-QDMKHBRRSA-N 2 0 249.402 1.392 20 0 BDADRP C[N@H+](CC1(C)COC1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169142872 969468569 /nfs/dbraw/zinc/46/85/69/969468569.db2.gz WZJRGODHESDCBB-ITGUQSILSA-N 2 0 238.375 1.580 20 0 BDADRP C[C@@H]1C[C@H]1C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001209426849 969495862 /nfs/dbraw/zinc/49/58/62/969495862.db2.gz GQEJRZFGMKBSOS-NEPJUHHUSA-N 2 0 208.349 1.670 20 0 BDADRP CC[NH+]1CCC([NH2+]CCc2cncs2)CC1 ZINC001169230116 969501059 /nfs/dbraw/zinc/50/10/59/969501059.db2.gz QWLCMFMEOZKLEZ-UHFFFAOYSA-N 2 0 239.388 1.760 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@H]2CC(C)(C)O2)CC1 ZINC001169230431 969502115 /nfs/dbraw/zinc/50/21/15/969502115.db2.gz BLNMOMFNCYYQHN-GFCCVEGCSA-N 2 0 226.364 1.628 20 0 BDADRP CC[NH+]1CCC(n2ccc([C@H](C)[NH3+])n2)CC1 ZINC001169231192 969502711 /nfs/dbraw/zinc/50/27/11/969502711.db2.gz WFVOSXPJYGIVJD-JTQLQIEISA-N 2 0 222.336 1.560 20 0 BDADRP C[C@H]([NH3+])c1ccn(-c2ccccc2CC[NH3+])n1 ZINC001169232520 969510745 /nfs/dbraw/zinc/51/07/45/969510745.db2.gz GNXVXBOOUYKDOH-JTQLQIEISA-N 2 0 230.315 1.393 20 0 BDADRP C[C@@H]([NH3+])c1ccn(-c2ccc([C@H](C)[NH3+])nc2)n1 ZINC001169236390 969526450 /nfs/dbraw/zinc/52/64/50/969526450.db2.gz CTBZHEJUGJDUEK-DTWKUNHWSA-N 2 0 231.303 1.307 20 0 BDADRP COc1cc(CN(C)C2CC[NH+](C)CC2)ccn1 ZINC001209637635 969568567 /nfs/dbraw/zinc/56/85/67/969568567.db2.gz LJFZSECCGSWRJW-UHFFFAOYSA-N 2 0 249.358 1.616 20 0 BDADRP C([NH2+][C@@H]1CCCOC1)C12CC[NH+](CC1)CC2 ZINC001254366037 969579566 /nfs/dbraw/zinc/57/95/66/969579566.db2.gz MTJXLWNUFRFNFT-GFCCVEGCSA-N 2 0 224.348 1.241 20 0 BDADRP CCC[N@H+](CCC[NH3+])C1CCN(C(C)=O)CC1 ZINC001254413994 969610766 /nfs/dbraw/zinc/61/07/66/969610766.db2.gz LFESMMJGZCDIQS-UHFFFAOYSA-N 2 0 241.379 1.058 20 0 BDADRP C[C@@H]([NH3+])c1nccn1[C@@H]1CCC[N@H+](C)CC1 ZINC001254498390 969658526 /nfs/dbraw/zinc/65/85/26/969658526.db2.gz YKUDECFVGPDMFU-GHMZBOCLSA-N 2 0 222.336 1.560 20 0 BDADRP CCCC[N@H+](C)CCN[C@@H]1CCC[NH+](C)CC1 ZINC001254499971 969660463 /nfs/dbraw/zinc/66/04/63/969660463.db2.gz QTKGHTAOSPADGN-CQSZACIVSA-N 2 0 241.423 1.792 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+]C[C@H]2C[C@H](F)C2)CC1 ZINC001254504849 969673644 /nfs/dbraw/zinc/67/36/44/969673644.db2.gz XTJKKFRZIZEYMB-SRVKXCTJSA-N 2 0 214.328 1.808 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH+]2CC[C@](C)(CO)C2)CC1 ZINC001254515977 969684399 /nfs/dbraw/zinc/68/43/99/969684399.db2.gz IADOJILSEQSBCR-OLZOCXBDSA-N 2 0 226.364 1.175 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+][C@@]2(C)CCCOC2)CC1 ZINC001254514532 969685403 /nfs/dbraw/zinc/68/54/03/969685403.db2.gz MCBIJFVSBLLFCD-OLZOCXBDSA-N 2 0 226.364 1.629 20 0 BDADRP COCC[N@H+](C)[C@@H]1CCC[NH+](C)CC1 ZINC001254516018 969687517 /nfs/dbraw/zinc/68/75/17/969687517.db2.gz IPQRNODWMGWVGF-LLVKDONJSA-N 2 0 200.326 1.049 20 0 BDADRP C[N@H+]([C@H]1CCOC1)[C@@H]1CCC[NH+](C)CC1 ZINC001254522047 969710615 /nfs/dbraw/zinc/71/06/15/969710615.db2.gz BCOUGOBFKZCYOA-NEPJUHHUSA-N 2 0 212.337 1.191 20 0 BDADRP CN1CC2(C1)CC[N@@H+]([C@H]1CCC[NH+](C)CC1)C2 ZINC001254529222 969733269 /nfs/dbraw/zinc/73/32/69/969733269.db2.gz LHCHNDQFYXQBPI-ZDUSSCGKSA-N 2 0 237.391 1.108 20 0 BDADRP C/C=C(\NC=[NH2+])[NH2+]CC1(C(=O)OCC)CCC1 ZINC001169553317 969745661 /nfs/dbraw/zinc/74/56/61/969745661.db2.gz NNLYPIAGQOWNOG-KMKOMSMNSA-N 2 0 239.319 1.367 20 0 BDADRP Cc1cc(C[NH3+])nn1[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254835351 969798954 /nfs/dbraw/zinc/79/89/54/969798954.db2.gz GICLJARHJINAGI-CYBMUJFWSA-N 2 0 234.347 1.307 20 0 BDADRP Nc1[nH]c2ccc(-n3ccc(C[NH3+])c3)cc2[nH+]1 ZINC001169726598 969819636 /nfs/dbraw/zinc/81/96/36/969819636.db2.gz VOYCPSPPUIMNAY-UHFFFAOYSA-N 2 0 227.271 1.395 20 0 BDADRP C[N@@H+]1CCC[C@H](CCNc2cc(C[NH3+])ncn2)C1 ZINC001156377808 969849296 /nfs/dbraw/zinc/84/92/96/969849296.db2.gz GLDORJMRMMBXAI-LLVKDONJSA-N 2 0 249.362 1.079 20 0 BDADRP C[C@@H](C[NH3+])C[N@H+](C)[C@@H]1CCCC2(C1)OCCO2 ZINC001169921720 969886999 /nfs/dbraw/zinc/88/69/99/969886999.db2.gz ATRQRKPAPVUERE-NWDGAFQWSA-N 2 0 242.363 1.199 20 0 BDADRP Cc1cc(N(C)C(C)(C)C[NH3+])nc2c1C[NH2+]CC2 ZINC001170052203 970089565 /nfs/dbraw/zinc/08/95/65/970089565.db2.gz JGAGKQNWBJXBDW-UHFFFAOYSA-N 2 0 248.374 1.209 20 0 BDADRP [NH2+]=C(NCCCC[NH3+])Nc1ncc(C2CC2)cn1 ZINC001157096263 970090036 /nfs/dbraw/zinc/09/00/36/970090036.db2.gz GJTHEXMJWMHFHN-UHFFFAOYSA-N 2 0 248.334 1.029 20 0 BDADRP CCCC[C@H](C)[NH+]1CCN(CCCC[NH3+])CC1 ZINC001255321108 970092009 /nfs/dbraw/zinc/09/20/09/970092009.db2.gz XVFZTUFXIRCFLE-AWEZNQCLSA-N 2 0 241.423 1.922 20 0 BDADRP CN(c1ccc2c(N)cc[nH+]c2c1)C(C)(C)C[NH3+] ZINC001170059954 970117212 /nfs/dbraw/zinc/11/72/12/970117212.db2.gz ZNRJARFETAQOMC-UHFFFAOYSA-N 2 0 244.342 1.991 20 0 BDADRP CCOC(=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)C[NH3+])C1 ZINC001255348465 970122455 /nfs/dbraw/zinc/12/24/55/970122455.db2.gz IEVIKZLGVWMYRS-TUAOUCFPSA-N 2 0 242.363 1.293 20 0 BDADRP C[N@@H+]1CC[C@H](NC2CC[NH+](C3CCC3)CC2)C1 ZINC001255417727 970139272 /nfs/dbraw/zinc/13/92/72/970139272.db2.gz OOLREYJBMVFDBZ-ZDUSSCGKSA-N 2 0 237.391 1.297 20 0 BDADRP C[N@@H+]1CC[C@H](n2cc3ccc(C[NH3+])cc3n2)C1 ZINC001255419454 970141637 /nfs/dbraw/zinc/14/16/37/970141637.db2.gz CGUBZZCDTUGBBI-LBPRGKRZSA-N 2 0 230.315 1.372 20 0 BDADRP C[N@@H+]1CC[C@@H](N(CC[NH3+])c2ccc(F)cc2)C1 ZINC001255422032 970146385 /nfs/dbraw/zinc/14/63/85/970146385.db2.gz NBFPNWHQLPXNHV-CYBMUJFWSA-N 2 0 237.322 1.295 20 0 BDADRP CC(C)[N@H+]([C@H]1CCN(C)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255422636 970146478 /nfs/dbraw/zinc/14/64/78/970146478.db2.gz PFWDVBWMQUHNSG-IHRRRGAJSA-N 2 0 239.407 1.671 20 0 BDADRP CN1CC[C@H]([NH2+][C@H]2CCN(CC3CCC3)C2)C1 ZINC001255422760 970147085 /nfs/dbraw/zinc/14/70/85/970147085.db2.gz PZWMNVAHBDSPOC-KBPBESRZSA-N 2 0 237.391 1.155 20 0 BDADRP CN1CC[C@H]([N@@H+]2CCCC[C@H](CCC[NH3+])C2)C1 ZINC001255425697 970150071 /nfs/dbraw/zinc/15/00/71/970150071.db2.gz IQRLEZJYUMEBCZ-KGLIPLIRSA-N 2 0 239.407 1.532 20 0 BDADRP CN(C)c1cc(Nc2c[nH+]cn2C)cc[nH+]1 ZINC001211247262 970195642 /nfs/dbraw/zinc/19/56/42/970195642.db2.gz QTJPNPARSRAIRT-UHFFFAOYSA-N 2 0 217.276 1.625 20 0 BDADRP C[N@@H+]1CCC[C@H](N2CC[C@@H]([NH3+])c3ccccc32)C1 ZINC001255472330 970200906 /nfs/dbraw/zinc/20/09/06/970200906.db2.gz UGGLZQBWUWDNFR-GXTWGEPZSA-N 2 0 245.370 1.991 20 0 BDADRP C[N@@H+]1CCC[C@@H](N2C[C@H](C[NH3+])c3ccccc32)C1 ZINC001255472855 970203298 /nfs/dbraw/zinc/20/32/98/970203298.db2.gz JFJIZMIDJQGHOM-QWHCGFSZSA-N 2 0 245.370 1.643 20 0 BDADRP C[N@@H+]1CCC[C@H](N2C[C@H](C[NH3+])c3ccccc32)C1 ZINC001255472856 970204670 /nfs/dbraw/zinc/20/46/70/970204670.db2.gz JFJIZMIDJQGHOM-STQMWFEESA-N 2 0 245.370 1.643 20 0 BDADRP CCCc1cc(C[NH3+])nn1[C@@H]1CCC[N@H+](C)C1 ZINC001255475531 970206419 /nfs/dbraw/zinc/20/64/19/970206419.db2.gz RFJKNZCAWIWEHZ-CYBMUJFWSA-N 2 0 236.363 1.561 20 0 BDADRP CN1CCC[C@H]([NH2+]C2CCC(CC[NH3+])CC2)C1 ZINC001255476019 970211328 /nfs/dbraw/zinc/21/13/28/970211328.db2.gz ZJFYTMZHYXNGCA-RUXDESIVSA-N 2 0 239.407 1.578 20 0 BDADRP C[NH+](C)C1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC001255480145 970218080 /nfs/dbraw/zinc/21/80/80/970218080.db2.gz BHJZWWCKZPLGIC-CYBMUJFWSA-N 2 0 225.380 1.107 20 0 BDADRP C[N@@H+]1CCC[C@H](n2ccc3c2CC[NH2+]C3)C1 ZINC001255494490 970252050 /nfs/dbraw/zinc/25/20/50/970252050.db2.gz HEGZHKYFFHYEGA-LBPRGKRZSA-N 2 0 219.332 1.401 20 0 BDADRP CCCN(CCC[NH+](C)C)[C@@H]1CCC[N@H+](C)C1 ZINC001255494588 970259268 /nfs/dbraw/zinc/25/92/68/970259268.db2.gz IZHYHFDBGKKZHL-CQSZACIVSA-N 2 0 241.423 1.744 20 0 BDADRP CN(CC[NH+]1CCCC1)c1cc(N)cc[nH+]1 ZINC000063051574 970380230 /nfs/dbraw/zinc/38/02/30/970380230.db2.gz WMPNDJHDKLVICT-UHFFFAOYSA-N 2 0 220.320 1.196 20 0 BDADRP COC[C@@H](C)N1CCC([N@H+](C)C2CC2)CC1 ZINC001255582748 970389586 /nfs/dbraw/zinc/38/95/86/970389586.db2.gz ZBHPMKNTYUAKMK-LLVKDONJSA-N 2 0 226.364 1.580 20 0 BDADRP C[C@@H]1CC[C@H]([N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC001170147740 970440497 /nfs/dbraw/zinc/44/04/97/970440497.db2.gz FFXNSMWFIRYZNB-NDBYEHHHSA-N 2 0 208.349 1.668 20 0 BDADRP Cn1ncc2c1CCC[C@@H]2[NH2+]CCC(C)(C)[NH3+] ZINC000302575773 970447558 /nfs/dbraw/zinc/44/75/58/970447558.db2.gz CNHDKKQDQKITCB-NSHDSACASA-N 2 0 236.363 1.515 20 0 BDADRP CO[C@H]1CC[N@@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001255674334 970450037 /nfs/dbraw/zinc/45/00/37/970450037.db2.gz QBYHINBYAJUVRK-PIGZVRMJSA-N 2 0 238.375 1.722 20 0 BDADRP Cc1nnc(C[NH3+])n1C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255677022 970452330 /nfs/dbraw/zinc/45/23/30/970452330.db2.gz QZCVWSLXYGDZTL-FOSCPWQOSA-N 2 0 249.362 1.233 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000690417073 970514890 /nfs/dbraw/zinc/51/48/90/970514890.db2.gz VVBGFWPGUSSILF-STQMWFEESA-N 2 0 226.364 1.474 20 0 BDADRP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000400011738 970541581 /nfs/dbraw/zinc/54/15/81/970541581.db2.gz WMEUZJKMIKWSAO-ZIAGYGMSSA-N 2 0 238.375 1.175 20 0 BDADRP [NH2+]=C(NC1CCCCCC1)SCC[NH3+] ZINC001255881999 970542737 /nfs/dbraw/zinc/54/27/37/970542737.db2.gz YXNKEGTZAHPIQW-UHFFFAOYSA-N 2 0 215.366 1.925 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]C[C@@H](C)C[NH3+])CCO1 ZINC001170182170 970560925 /nfs/dbraw/zinc/56/09/25/970560925.db2.gz MNUILGSSIMFKAL-GARJFASQSA-N 2 0 200.326 1.128 20 0 BDADRP CC[C@H]1C[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)CCO1 ZINC001170183356 970561827 /nfs/dbraw/zinc/56/18/27/970561827.db2.gz RBSNISWNQOXALV-RVMXOQNASA-N 2 0 226.364 1.804 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]CC(C)(C)O ZINC001255940890 970569652 /nfs/dbraw/zinc/56/96/52/970569652.db2.gz IAWWKBMQQPFXOB-LLVKDONJSA-N 2 0 216.369 1.467 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H]1CC[C@H](O)C1 ZINC001255941388 970572784 /nfs/dbraw/zinc/57/27/84/970572784.db2.gz PQFKIOHOKXQDBH-AGIUHOORSA-N 2 0 228.380 1.610 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]CC1COC1 ZINC001255941510 970573199 /nfs/dbraw/zinc/57/31/99/970573199.db2.gz SGFIIPIVOUTQQE-LLVKDONJSA-N 2 0 214.353 1.343 20 0 BDADRP C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)C1CC[NH2+]CC1 ZINC000400324398 970579700 /nfs/dbraw/zinc/57/97/00/970579700.db2.gz AZKOAMVTIMPBQM-XZUYRWCXSA-N 2 0 226.364 1.530 20 0 BDADRP C[C@H]([NH2+]Cc1cccc(O)c1)C1CC[NH2+]CC1 ZINC000400338698 970579782 /nfs/dbraw/zinc/57/97/82/970579782.db2.gz DWMGHNNDUQFDJA-NSHDSACASA-N 2 0 234.343 1.870 20 0 BDADRP CCCC[NH2+]CCCNC(=O)CC[N@H+](C)CC ZINC001170221978 970589211 /nfs/dbraw/zinc/58/92/11/970589211.db2.gz GSYLIHCWCLVBOU-UHFFFAOYSA-N 2 0 243.395 1.224 20 0 BDADRP C[C@H]([NH2+]C1CCN(C)CC1)C1CC[NH2+]CC1 ZINC000400474681 970592125 /nfs/dbraw/zinc/59/21/25/970592125.db2.gz ZHRMWFBRBHFVQZ-NSHDSACASA-N 2 0 225.380 1.058 20 0 BDADRP Cc1cc(NC[C@@H]2COCC[NH2+]2)cc(C)[nH+]1 ZINC000304454999 970596809 /nfs/dbraw/zinc/59/68/09/970596809.db2.gz WSXOGPBKKGYINV-GFCCVEGCSA-N 2 0 221.304 1.099 20 0 BDADRP C[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)[NH+]1CCCCC1 ZINC000400559332 970605239 /nfs/dbraw/zinc/60/52/39/970605239.db2.gz HHVFZHVXUMJGRW-RDBSUJKOSA-N 2 0 239.407 1.591 20 0 BDADRP COC[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)C(C)C ZINC000400736268 970622634 /nfs/dbraw/zinc/62/26/34/970622634.db2.gz RTWNJJHIOQJMEV-AAEUAGOBSA-N 2 0 228.380 1.635 20 0 BDADRP C[C@H]([NH3+])c1nccn1C1CC[NH+](C2CC2)CC1 ZINC001256065929 970630331 /nfs/dbraw/zinc/63/03/31/970630331.db2.gz KLQDHDKKJAJFED-JTQLQIEISA-N 2 0 234.347 1.702 20 0 BDADRP CCN(CC[NH+](C)C)C1CC[NH+](C2CC2)CC1 ZINC001256072588 970638739 /nfs/dbraw/zinc/63/87/39/970638739.db2.gz DYQMPOQSFMOVLB-UHFFFAOYSA-N 2 0 239.407 1.497 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1NC1CC[NH+](C2CC2)CC1 ZINC001256073947 970641529 /nfs/dbraw/zinc/64/15/29/970641529.db2.gz GQXAEWGXFUKTPF-QWHCGFSZSA-N 2 0 223.364 1.083 20 0 BDADRP c1cn(C2CC[NH+](C3CC3)CC2)c2c1C[NH2+]CC2 ZINC001256081874 970649652 /nfs/dbraw/zinc/64/96/52/970649652.db2.gz OHRKFTZRWCAEOM-UHFFFAOYSA-N 2 0 245.370 1.933 20 0 BDADRP CC[C@@H](C)C[C@@H]([NH3+])C(=O)NC1CCC([NH3+])CC1 ZINC000400986567 970654648 /nfs/dbraw/zinc/65/46/48/970654648.db2.gz UPBDZZKTECLAOT-HBIQZDMRSA-N 2 0 241.379 1.136 20 0 BDADRP [NH3+]C[C@H](O)C[NH2+][C@@H]1CCC[C@H](c2ccccc2)C1 ZINC001256106074 970659089 /nfs/dbraw/zinc/65/90/89/970659089.db2.gz MNWPFKDTKVVVTD-ZNMIVQPWSA-N 2 0 248.370 1.622 20 0 BDADRP C[NH+]1CC(CNc2[nH+]ccc3c2CCN3)C1 ZINC001170251901 970659753 /nfs/dbraw/zinc/65/97/53/970659753.db2.gz FSEMDQFTDBLVCF-UHFFFAOYSA-N 2 0 218.304 1.023 20 0 BDADRP C[NH+]1CCC(n2ncc3cccc(C[NH3+])c32)CC1 ZINC001256196237 970688424 /nfs/dbraw/zinc/68/84/24/970688424.db2.gz AXPNLCWFEITMAZ-UHFFFAOYSA-N 2 0 244.342 1.762 20 0 BDADRP C[NH+]1CCC(n2cnc3cccc(C[NH3+])c32)CC1 ZINC001256199485 970697718 /nfs/dbraw/zinc/69/77/18/970697718.db2.gz BJPXSSSOMKWETJ-UHFFFAOYSA-N 2 0 244.342 1.762 20 0 BDADRP C[C@@H]1C[N@H+](C2CCN(C)CC2)C2(CC2)C1 ZINC001256211031 970716717 /nfs/dbraw/zinc/71/67/17/970716717.db2.gz QESLHZWKCSUGDA-NSHDSACASA-N 2 0 208.349 1.955 20 0 BDADRP CC(C)CC[C@@H](C)NC(=[NH2+])NCCCC[NH3+] ZINC001256354971 970750541 /nfs/dbraw/zinc/75/05/41/970750541.db2.gz PWDYDNRQKWBHPL-LLVKDONJSA-N 2 0 228.384 1.664 20 0 BDADRP CC(C)CC[C@@H](C)[NH+]1CCN(CCC[NH3+])CC1 ZINC001256356248 970752133 /nfs/dbraw/zinc/75/21/33/970752133.db2.gz KDHZKNCKQNPABD-CQSZACIVSA-N 2 0 241.423 1.778 20 0 BDADRP [NH3+]CC1(F)CC[NH+](CC2OC=CC2=S)CC1 ZINC001222548248 972557611 /nfs/dbraw/zinc/55/76/11/972557611.db2.gz CSURVXXZFRYDAR-UHFFFAOYSA-N 2 0 244.335 1.831 20 0 BDADRP [NH3+][C@@H]1CN(CC[C@H]2CCC[NH2+]C2)CC(F)(F)C1 ZINC001206116775 972567139 /nfs/dbraw/zinc/56/71/39/972567139.db2.gz GEXNWTIJRDPJDF-MNOVXSKESA-N 2 0 247.333 1.044 20 0 BDADRP [NH3+]CCCC[N@@H+]1CC[C@]2(C1)CCCCO2 ZINC001222573718 972578038 /nfs/dbraw/zinc/57/80/38/972578038.db2.gz CCXONMFRSYCGCA-LBPRGKRZSA-N 2 0 212.337 1.370 20 0 BDADRP C[C@@H]1CC[C@H](N2CCCC[C@](C)(O)C2)C[NH2+]1 ZINC001246545680 972651090 /nfs/dbraw/zinc/65/10/90/972651090.db2.gz CILHGTSPYLHCDM-AGIUHOORSA-N 2 0 226.364 1.364 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC[C@H]([NH3+])CC1)C2 ZINC001246550962 972726775 /nfs/dbraw/zinc/72/67/75/972726775.db2.gz ZMWNKTIDFVDZFG-IGQOVBAYSA-N 2 0 237.391 1.425 20 0 BDADRP CC(C)[C@H]1C[C@H](N2CC[C@@H]([NH3+])[C@H]2C)CC[NH2+]1 ZINC001246551682 972730952 /nfs/dbraw/zinc/73/09/52/972730952.db2.gz UQUKCQUWHKIQII-FDYHWXHSSA-N 2 0 225.380 1.185 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2CC[C@@H]([NH3+])[C@H]2C)CC[NH2+]1 ZINC001246551701 972731292 /nfs/dbraw/zinc/73/12/92/972731292.db2.gz UQUKCQUWHKIQII-LPWJVIDDSA-N 2 0 225.380 1.185 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)CCO1 ZINC001246553619 972745558 /nfs/dbraw/zinc/74/55/58/972745558.db2.gz BNEOQQJGGNXRRC-VWYCJHECSA-N 2 0 248.317 1.470 20 0 BDADRP C[NH2+][C@H](C)CCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC001327840704 972756371 /nfs/dbraw/zinc/75/63/71/972756371.db2.gz SHJSFHCWPPURDI-SWHYSGLUSA-N 2 0 233.359 1.719 20 0 BDADRP C[C@H]1C[C@H](N2CCC[C@@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246556168 972758070 /nfs/dbraw/zinc/75/80/70/972758070.db2.gz YKIHAHFHOBAKJM-YNEHKIRRSA-N 2 0 225.380 1.330 20 0 BDADRP C[C@@H]1CC[C@@H](N2CCC(F)(F)[C@H](C[NH3+])C2)C[NH2+]1 ZINC001246561670 972790662 /nfs/dbraw/zinc/79/06/62/972790662.db2.gz SABBTADPWPUBRW-GMTAPVOTSA-N 2 0 247.333 1.043 20 0 BDADRP Cc1ccc(C[C@H](C)[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001246560759 972794316 /nfs/dbraw/zinc/79/43/16/972794316.db2.gz SWQVAIVRGVJQGO-NWANDNLSSA-N 2 0 248.370 1.320 20 0 BDADRP C[C@H]1C[N@@H+](C2CCN(C)CC2)CCC[C@H]1C[NH3+] ZINC001246569685 972822245 /nfs/dbraw/zinc/82/22/45/972822245.db2.gz RVCLFHKNEKGQDS-STQMWFEESA-N 3 0 239.407 1.387 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@](O)(CF)CC2)CC[NH2+]1 ZINC001246568172 972823281 /nfs/dbraw/zinc/82/32/81/972823281.db2.gz MDANXLFNXZTQNH-UPJWGTAASA-N 2 0 244.354 1.313 20 0 BDADRP C[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2)CCC[C@H]1C[NH3+] ZINC001246569697 972823471 /nfs/dbraw/zinc/82/34/71/972823471.db2.gz RXMVFMXUZAWVDG-RDBSUJKOSA-N 2 0 239.407 1.387 20 0 BDADRP CC[C@H]1C[C@H](N2CC[C@@H](C)[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246569998 972831073 /nfs/dbraw/zinc/83/10/73/972831073.db2.gz RHPJCLIALZZSHY-XQHKEYJVSA-N 2 0 225.380 1.186 20 0 BDADRP CC1(C)C[C@@H](N2C[C@@H]([NH3+])CC(F)(F)C2)CC[NH2+]1 ZINC001246577364 972881403 /nfs/dbraw/zinc/88/14/03/972881403.db2.gz VUAFRIVLIZJPIZ-UWVGGRQHSA-N 2 0 247.333 1.185 20 0 BDADRP CC(C)[NH+]1CCC(N2C[C@H]([NH3+])C[C@@H](F)C2)CC1 ZINC001246577086 972885603 /nfs/dbraw/zinc/88/56/03/972885603.db2.gz QJEODMRZJCCZCU-VXGBXAGGSA-N 2 0 243.370 1.230 20 0 BDADRP C[C@@]1(C[NH3+])CCCCN(C2CC[NH2+]CC2)C1 ZINC001246579663 972907830 /nfs/dbraw/zinc/90/78/30/972907830.db2.gz GDEHKFIQRNXVPV-ZDUSSCGKSA-N 2 0 225.380 1.189 20 0 BDADRP C[C@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[C@@H]1O ZINC001246581195 972940031 /nfs/dbraw/zinc/94/00/31/972940031.db2.gz YFNQYHPLOJOHJC-MWWBDVBNSA-N 2 0 238.375 1.362 20 0 BDADRP C[C@@H]1C[C@@H](N2CC[C@@H](F)[C@@H]([NH3+])CC2)C[C@H](C)[NH2+]1 ZINC001246582081 972940394 /nfs/dbraw/zinc/94/03/94/972940394.db2.gz FTDXMUBLKINTGQ-MLGHIDQZSA-N 2 0 243.370 1.277 20 0 BDADRP C[C@@H]1CC[C@@H](N2CCCC[C@@](C)(C[NH3+])C2)C[NH2+]1 ZINC001246584482 972959968 /nfs/dbraw/zinc/95/99/68/972959968.db2.gz NECICLHYCQEJQO-MCIONIFRSA-N 2 0 239.407 1.578 20 0 BDADRP C[NH2+]C1CCC([N@@H+]2CC[C@H](N)[C@@H](F)CC2)CC1 ZINC001246587354 972976366 /nfs/dbraw/zinc/97/63/66/972976366.db2.gz NZZHXYRLOVRLPJ-TYUFSLCMSA-N 2 0 243.370 1.278 20 0 BDADRP CC(C)N([C@H]1C[NH2+][C@H](C)C1)[C@@H]1CCC[NH2+]CC1 ZINC001246598047 973014216 /nfs/dbraw/zinc/01/42/16/973014216.db2.gz ZLFBOEDMFGJAEX-MGPQQGTHSA-N 2 0 239.407 1.589 20 0 BDADRP C1CC[C@@]2(CCCN([C@@H]3CCC[NH2+]C3)C2)[NH2+]C1 ZINC001246617118 973034410 /nfs/dbraw/zinc/03/44/10/973034410.db2.gz YBAOPLPJEOMNQT-KGLIPLIRSA-N 2 0 237.391 1.347 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CC[NH+](C(C)(C)C)CC1 ZINC000042463206 973049671 /nfs/dbraw/zinc/04/96/71/973049671.db2.gz ZDYCWARPQILZEW-CYBMUJFWSA-N 2 0 241.423 1.776 20 0 BDADRP [NH3+][C@@]12CCC[C@@H]1CN([C@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)C2 ZINC001246661832 973077367 /nfs/dbraw/zinc/07/73/67/973077367.db2.gz HAMCSUBNZRACDO-NIFZNCRKSA-N 2 0 249.402 1.473 20 0 BDADRP CC[C@H]1CN(C2C[C@H](C)[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC001246805322 973100865 /nfs/dbraw/zinc/10/08/65/973100865.db2.gz SVXLNUMCFGJKPF-SRVKXCTJSA-N 2 0 225.380 1.199 20 0 BDADRP CC[NH2+]C1CCN([C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246803212 973105264 /nfs/dbraw/zinc/10/52/64/973105264.db2.gz MTEAKXFWBPGSTP-YPMHNXCESA-N 2 0 225.380 1.201 20 0 BDADRP C1C[C@@]2(CCC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)O1 ZINC001246828702 973121030 /nfs/dbraw/zinc/12/10/30/973121030.db2.gz FXKQSGACSLEXBX-QNMSZWNNSA-N 2 0 236.359 1.524 20 0 BDADRP Cc1ccc(CC[C@@H](C)N(CC[NH3+])CC[NH3+])cc1 ZINC001246833082 973129989 /nfs/dbraw/zinc/12/99/89/973129989.db2.gz RJQOQZAQWUSKGI-CQSZACIVSA-N 2 0 249.402 1.536 20 0 BDADRP C[C@@H]1CC[C@@H](n2ccnc2[C@@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001246848816 973148636 /nfs/dbraw/zinc/14/86/36/973148636.db2.gz OJJGNWSPOOVCHM-JHJVBQTASA-N 2 0 248.374 1.663 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)C[C@H](C)O1 ZINC001246858651 973172219 /nfs/dbraw/zinc/17/22/19/973172219.db2.gz GNHJFQYOKFZUQV-FPYNETTCSA-N 2 0 224.348 1.366 20 0 BDADRP CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001146603287 973178338 /nfs/dbraw/zinc/17/83/38/973178338.db2.gz WOQIEYJWGLFCRQ-VXGBXAGGSA-N 2 0 243.395 1.219 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N(C2CC2)C2C[NH2+]C2)CC[NH2+]1 ZINC001246861827 973182659 /nfs/dbraw/zinc/18/26/59/973182659.db2.gz FAIXHXIVLARTDX-JSGCOSHPSA-N 2 0 237.391 1.199 20 0 BDADRP C[NH2+]C[C@@H]1CCN([C@H]2CC[NH2+][C@H](C(C)C)C2)C1 ZINC001246863746 973189816 /nfs/dbraw/zinc/18/98/16/973189816.db2.gz LXSGXFWWTQZCIM-IHRRRGAJSA-N 2 0 239.407 1.304 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246866635 973197225 /nfs/dbraw/zinc/19/72/25/973197225.db2.gz FZCOGRHMXVLPBB-AVGNSLFASA-N 2 0 225.380 1.140 20 0 BDADRP CCN(CC[NH3+])[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246888373 973320871 /nfs/dbraw/zinc/32/08/71/973320871.db2.gz AIXKRONVOAVUJT-GJZGRUSLSA-N 2 0 247.386 1.760 20 0 BDADRP CC(C)[N@H+](C)[C@@H]1CCN([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246910093 973433132 /nfs/dbraw/zinc/43/31/32/973433132.db2.gz JYHUGKYDTGTZHI-MGPQQGTHSA-N 2 0 239.407 1.541 20 0 BDADRP C[C@@H]1CC[C@H](N(C)[C@@H]2CCCC[C@H]2[NH3+])C[NH2+]1 ZINC001246910133 973437471 /nfs/dbraw/zinc/43/74/71/973437471.db2.gz KSCCCQLTXKBMED-YVECIDJPSA-N 2 0 225.380 1.329 20 0 BDADRP C[C@@H]1C[C@H](N(C)[C@H]2CCCC[C@H]2[NH3+])CC[NH2+]1 ZINC001246914628 973445394 /nfs/dbraw/zinc/44/53/94/973445394.db2.gz UFKHWFATUWQIEW-LPWJVIDDSA-N 2 0 225.380 1.329 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)N1C[C@H]2C[NH2+]C[C@H]21 ZINC001246919994 973489958 /nfs/dbraw/zinc/48/99/58/973489958.db2.gz OHARKKSWDRCHPN-BFHYXJOUSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@H](C[NH+](C)C)OCC1CC[NH+](C)CC1 ZINC001224456474 973656493 /nfs/dbraw/zinc/65/64/93/973656493.db2.gz ZORSMUMKSYUGJC-LLVKDONJSA-N 2 0 214.353 1.295 20 0 BDADRP C[C@H]([NH3+])CN(C)[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001246980464 973721322 /nfs/dbraw/zinc/72/13/22/973721322.db2.gz IURSQQVKFRROBJ-JSGCOSHPSA-N 2 0 239.407 1.672 20 0 BDADRP C[C@H]([NH3+])CN(C)[C@H]1CSc2ccccc2C1 ZINC001246979485 973734951 /nfs/dbraw/zinc/73/49/51/973734951.db2.gz BEFAUNNDIWYFPW-CMPLNLGQSA-N 2 0 236.384 1.982 20 0 BDADRP C[C@H]1CC[C@@H](N2CC(F)(F)CC[C@@H]2C[NH3+])C[NH2+]1 ZINC001246985412 973748017 /nfs/dbraw/zinc/74/80/17/973748017.db2.gz BPVDEGNQMWGZBM-HBNTYKKESA-N 2 0 247.333 1.185 20 0 BDADRP C[C@H]1CC[C@H](N2CC(F)(F)CC[C@@H]2C[NH3+])C[NH2+]1 ZINC001246985402 973749272 /nfs/dbraw/zinc/74/92/72/973749272.db2.gz BPVDEGNQMWGZBM-AXFHLTTASA-N 2 0 247.333 1.185 20 0 BDADRP C[C@@H](C[NH+](C)C)OC[C@@H]1CCCC[N@@H+]1C ZINC001224701501 973867269 /nfs/dbraw/zinc/86/72/69/973867269.db2.gz GTLCFJMCRWBTCO-RYUDHWBXSA-N 2 0 214.353 1.437 20 0 BDADRP Cc1[nH+]ccc(NC[C@H]2CCCC[NH2+]2)c1F ZINC001171336182 973885794 /nfs/dbraw/zinc/88/57/94/973885794.db2.gz YLGLKIQYBXKUKE-SNVBAGLBSA-N 2 0 223.295 1.505 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC[C@@H]2CCCC[NH2+]2)cn1 ZINC001171337813 973887736 /nfs/dbraw/zinc/88/77/36/973887736.db2.gz AXPNJSKJZJWDIC-QWRGUYRKSA-N 2 0 234.347 1.655 20 0 BDADRP C/C=C(\NC=[NH2+])N1c2ccccc2OC[C@H]1C[NH3+] ZINC001171389514 973992225 /nfs/dbraw/zinc/99/22/25/973992225.db2.gz MOMXGVCIFMQMBF-SDPAUDGHSA-N 2 0 246.314 1.271 20 0 BDADRP C[N@@H+]1CCC[C@@H](OCCC[NH+]2CCCCC2)C1 ZINC001224856173 974035038 /nfs/dbraw/zinc/03/50/38/974035038.db2.gz XYTXNVRHEVYQSL-CQSZACIVSA-N 2 0 240.391 1.973 20 0 BDADRP COc1cc[nH+]c(N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000257642636 974082014 /nfs/dbraw/zinc/08/20/14/974082014.db2.gz FEMAZDYGHUITDS-ZJUUUORDSA-N 2 0 221.304 1.772 20 0 BDADRP COc1cc[nH+]c(N2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000257681324 974105312 /nfs/dbraw/zinc/10/53/12/974105312.db2.gz HAVGFQTTWKSDHK-CQSZACIVSA-N 2 0 247.342 1.670 20 0 BDADRP C[NH+]1C(C)(C)CC([NH2+]CCC(N)=O)CC1(C)C ZINC001171623311 974112230 /nfs/dbraw/zinc/11/22/30/974112230.db2.gz SPQKNXZFXPRNNO-UHFFFAOYSA-N 2 0 241.379 1.103 20 0 BDADRP C[NH+]1C(C)(C)CC(N2CC[C@@H]([NH3+])C2)CC1(C)C ZINC001171619865 974113263 /nfs/dbraw/zinc/11/32/63/974113263.db2.gz TVFYDBFBHXFJKO-LLVKDONJSA-N 2 0 239.407 1.671 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@H]1Cc2cccc(F)c2C1 ZINC001171783038 974169781 /nfs/dbraw/zinc/16/97/81/974169781.db2.gz IRWZGSMIHVUEMT-KOLCDFICSA-N 2 0 222.307 1.477 20 0 BDADRP N[C@@H]1CC[N@H+](CCC2CCOCC2)CC[C@H]1F ZINC001206156799 974334530 /nfs/dbraw/zinc/33/45/30/974334530.db2.gz SXFZZEBAXJZJAX-CHWSQXEVSA-N 2 0 244.354 1.564 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[NH+]3CC[C@@H]3C1)C2 ZINC001172133621 974357703 /nfs/dbraw/zinc/35/77/03/974357703.db2.gz UAGREEMBGVHSPQ-LXTVHRRPSA-N 2 0 249.402 1.392 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(O)CCC1)C2 ZINC001172104198 974365831 /nfs/dbraw/zinc/36/58/31/974365831.db2.gz ANQHXGNNQPZMFP-XYYAHUGASA-N 2 0 238.375 1.506 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCCC[NH3+])C2 ZINC001172108218 974367900 /nfs/dbraw/zinc/36/79/00/974367900.db2.gz SGWAMEKZMRXKLF-XYYAHUGASA-N 3 0 225.380 1.330 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@H]1C[C@H](O)C1)C2 ZINC001172108006 974369534 /nfs/dbraw/zinc/36/95/34/974369534.db2.gz NKLGYSNDRFPFJO-ZAEXQNMVSA-N 2 0 238.375 1.362 20 0 BDADRP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1C[C@@H](O)C1)C2 ZINC001172108689 974374260 /nfs/dbraw/zinc/37/42/60/974374260.db2.gz YCRQBKUJOBNRKY-HALBRFILSA-N 2 0 224.348 1.115 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC1(C[NH3+])CC1)C2 ZINC001172110480 974377764 /nfs/dbraw/zinc/37/77/64/974377764.db2.gz NFMRPAYHOZOXOJ-CNDDSTCGSA-N 2 0 223.364 1.083 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@@H](O)C1)C2 ZINC001172113549 974380582 /nfs/dbraw/zinc/38/05/82/974380582.db2.gz KFTJJBGTELYBOU-YVECIDJPSA-N 2 0 224.348 1.068 20 0 BDADRP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(CO)CCC1)C2 ZINC001172117398 974382999 /nfs/dbraw/zinc/38/29/99/974382999.db2.gz LKPBUTJHDATVTG-CLLJXQQHSA-N 2 0 238.375 1.506 20 0 BDADRP CO[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172121416 974390091 /nfs/dbraw/zinc/39/00/91/974390091.db2.gz QBYHINBYAJUVRK-XJFOESAGSA-N 2 0 238.375 1.722 20 0 BDADRP CCOCC[NH2+]C1CC[NH+](CCCOC)CC1 ZINC001172242010 974505724 /nfs/dbraw/zinc/50/57/24/974505724.db2.gz CNHYBEZFPBGLDQ-UHFFFAOYSA-N 2 0 244.379 1.113 20 0 BDADRP CCOCC[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC001172409868 974671583 /nfs/dbraw/zinc/67/15/83/974671583.db2.gz ALKCRLYXKFYOHK-QWHCGFSZSA-N 2 0 228.380 1.875 20 0 BDADRP CCOCC[C@@H](C)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001172410969 974675278 /nfs/dbraw/zinc/67/52/78/974675278.db2.gz MPRKSEMGIMEZJO-OLZOCXBDSA-N 2 0 228.380 1.875 20 0 BDADRP CCOCC[C@H](C)[N@@H+]1CCC[C@H]1CN ZINC001172412307 974678875 /nfs/dbraw/zinc/67/88/75/974678875.db2.gz SZSQMNMVIOHIAU-QWRGUYRKSA-N 2 0 200.326 1.225 20 0 BDADRP CCOCC[C@H](C)[N@@H+]1CCn2c(cnc2C)C1 ZINC001172419890 974694048 /nfs/dbraw/zinc/69/40/48/974694048.db2.gz JWWHORRAFGLERN-NSHDSACASA-N 2 0 237.347 1.822 20 0 BDADRP CNC(=O)c1ccc(C[NH2+]CC[C@@H](C)[NH2+]C)cc1 ZINC001331420359 974713961 /nfs/dbraw/zinc/71/39/61/974713961.db2.gz WOKLQYQBEUHKIC-LLVKDONJSA-N 2 0 249.358 1.134 20 0 BDADRP CC[C@H](CC(C)C)[NH2+]C[C@H](C[NH3+])C(=O)OC ZINC001172395799 974752929 /nfs/dbraw/zinc/75/29/29/974752929.db2.gz PRAYOXKHTAYIOF-WDEREUQCSA-N 2 0 230.352 1.149 20 0 BDADRP C[C@@H]1C[C@@H]1NC(=[NH2+])NCCC1CC[NH+](C)CC1 ZINC001331901194 974855642 /nfs/dbraw/zinc/85/56/42/974855642.db2.gz KHFKQTJDIMWXNN-PWSUYJOCSA-N 2 0 238.379 1.241 20 0 BDADRP C[C@H]1C[C@@H]1NC(=[NH2+])NCCC1CC[NH+](C)CC1 ZINC001331901192 974856592 /nfs/dbraw/zinc/85/65/92/974856592.db2.gz KHFKQTJDIMWXNN-JQWIXIFHSA-N 2 0 238.379 1.241 20 0 BDADRP C[C@@H]1C[C@H]1NC(=[NH2+])NCCC1CC[NH+](C)CC1 ZINC001331901196 974856965 /nfs/dbraw/zinc/85/69/65/974856965.db2.gz KHFKQTJDIMWXNN-ZYHUDNBSSA-N 2 0 238.379 1.241 20 0 BDADRP Cc1nc(N(C)C)cc(NCC[C@@H](C)[NH3+])[nH+]1 ZINC000258670709 974900621 /nfs/dbraw/zinc/90/06/21/974900621.db2.gz HZNXNBGAZVMWNI-MRVPVSSYSA-N 2 0 223.324 1.000 20 0 BDADRP CC(C)C[C@H](C[NH3+])CC(=O)NCCC(C)(C)[NH3+] ZINC001332053317 974936378 /nfs/dbraw/zinc/93/63/78/974936378.db2.gz BCIADDPBLVFTON-NSHDSACASA-N 2 0 243.395 1.241 20 0 BDADRP CO[C@H]1CCC[C@H]([NH2+]CCSCC[NH3+])C1 ZINC001172927627 974975301 /nfs/dbraw/zinc/97/53/01/974975301.db2.gz YWZHRLGBLJVOHX-QWRGUYRKSA-N 2 0 232.393 1.226 20 0 BDADRP CC[NH+](CC)C1CCC([NH2+][C@H](C)CO)CC1 ZINC001173105598 975026046 /nfs/dbraw/zinc/02/60/46/975026046.db2.gz KTRNNGQPABKYDA-PNESKVBLSA-N 2 0 228.380 1.610 20 0 BDADRP C[N@H+](CCC[NH3+])CCc1ccc(F)cc1F ZINC000258863712 975046686 /nfs/dbraw/zinc/04/66/86/975046686.db2.gz YWQBLPPQFSWVKD-UHFFFAOYSA-N 2 0 228.286 1.788 20 0 BDADRP C[C@]1(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)CC[NH2+]C1 ZINC001332338379 975061936 /nfs/dbraw/zinc/06/19/36/975061936.db2.gz CURGSCINSVJWIA-RDBSUJKOSA-N 2 0 238.375 1.487 20 0 BDADRP O[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC001332403336 975094468 /nfs/dbraw/zinc/09/44/68/975094468.db2.gz VKSFLSYQJPQWSQ-JHJVBQTASA-N 2 0 238.375 1.412 20 0 BDADRP CC[C@H]1CC[C@@H]([NH+]2CCN(CCC[NH3+])CC2)C1 ZINC001173262661 975117992 /nfs/dbraw/zinc/11/79/92/975117992.db2.gz FMLZAQVYVUBLAI-UONOGXRCSA-N 2 0 239.407 1.532 20 0 BDADRP CC[N@@H+]1CC[C@H](n2ccnc2[C@@H](C)[NH3+])C1 ZINC001173348206 975289382 /nfs/dbraw/zinc/28/93/82/975289382.db2.gz KTSHHOSKJYFGIZ-ZJUUUORDSA-N 2 0 208.309 1.170 20 0 BDADRP CC[N@@H+]1CC[C@H](n2c(C[NH3+])cc3ccncc32)C1 ZINC001173353930 975306642 /nfs/dbraw/zinc/30/66/42/975306642.db2.gz SSMRDRRLHOVYCL-LBPRGKRZSA-N 2 0 244.342 1.762 20 0 BDADRP CC[N@@H+]1CC[C@H](N2CCC[C@H]([NH+](C)C)C2)C1 ZINC001173362972 975341272 /nfs/dbraw/zinc/34/12/72/975341272.db2.gz KLSBEZLUVPXINK-STQMWFEESA-N 2 0 225.380 1.107 20 0 BDADRP CC[N@@H+]1CC[C@@H](N2CCC3(C[NH+](C)C3)CC2)C1 ZINC001173367366 975349386 /nfs/dbraw/zinc/34/93/86/975349386.db2.gz GWIZTZAURKNSTA-CYBMUJFWSA-N 2 0 237.391 1.108 20 0 BDADRP CC[N@@H+]1CC[C@H](N2CC[NH+](CC)[C@H](C)C2)C1 ZINC001173367147 975350311 /nfs/dbraw/zinc/35/03/11/975350311.db2.gz GCHBVTGWINRKIO-OLZOCXBDSA-N 2 0 225.380 1.107 20 0 BDADRP CC[N@@H+]1CC[C@H](N2CC[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001173369417 975352009 /nfs/dbraw/zinc/35/20/09/975352009.db2.gz VUBCNKSAHWTDPH-RDBSUJKOSA-N 2 0 237.391 1.249 20 0 BDADRP CC[NH+](CC)[C@@H]1CCN([C@H]2CC[N@H+](CC)C2)C1 ZINC001173372842 975355645 /nfs/dbraw/zinc/35/56/45/975355645.db2.gz RXXLQHCNPHYLLK-UONOGXRCSA-N 2 0 239.407 1.497 20 0 BDADRP Cc1cc(CN2CC[C@@H]([NH3+])[C@@H](F)CC2)sn1 ZINC001206201565 975383873 /nfs/dbraw/zinc/38/38/73/975383873.db2.gz XJDZYZHNRAICNY-WDEREUQCSA-N 2 0 243.351 1.713 20 0 BDADRP CCOC(=O)C[C@@H]1CC[C@H]([NH2+]C2CC([NH3+])C2)C1 ZINC001173638780 975495803 /nfs/dbraw/zinc/49/58/03/975495803.db2.gz ZQWBEQAESDNGLO-ZYGVAYEYSA-N 2 0 240.347 1.188 20 0 BDADRP C[N@@H+]1CC[C@@H](Oc2ccc3c(c2)CC[NH+](C)C3)C1 ZINC001228936989 976590646 /nfs/dbraw/zinc/59/06/46/976590646.db2.gz RZSCRENIEYNHFQ-OAHLLOKOSA-N 2 0 246.354 1.757 20 0 BDADRP C(CN[C@H]1CC[NH2+]C12CCC2)C[NH+]1CCCC1 ZINC001335251054 976900223 /nfs/dbraw/zinc/90/02/23/976900223.db2.gz HIWJNTADEAOXMB-ZDUSSCGKSA-N 2 0 237.391 1.347 20 0 BDADRP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001335288893 976929403 /nfs/dbraw/zinc/92/94/03/976929403.db2.gz JJSNBIUMPPIXPM-CABZTGNLSA-N 2 0 236.363 1.443 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)C2CC2)C1 ZINC001335350881 976988298 /nfs/dbraw/zinc/98/82/98/976988298.db2.gz LHPYEWRMZGMFLX-YPMHNXCESA-N 2 0 226.364 1.077 20 0 BDADRP C[C@@H](C[NH+](C)C)Oc1ccc2[nH]c(N)[nH+]c2c1 ZINC001230517270 977231735 /nfs/dbraw/zinc/23/17/35/977231735.db2.gz YDHOJKLGQAIRME-QMMMGPOBSA-N 2 0 234.303 1.474 20 0 BDADRP C[N@@H+]1CC[C@@H](Oc2cc3c(cc2O)C=NCC3)C1 ZINC001230915147 977381340 /nfs/dbraw/zinc/38/13/40/977381340.db2.gz NEOKIAOXACSFLR-GFCCVEGCSA-N 2 0 246.310 1.450 20 0 BDADRP C[C@@]1(C2CC2)COCCN1C[C@@H]1CCC[NH2+]C1 ZINC001336096234 977501249 /nfs/dbraw/zinc/50/12/49/977501249.db2.gz RAYKXPDMHKYOHT-OCCSQVGLSA-N 2 0 238.375 1.487 20 0 BDADRP OCC[N@@H+]1CCC[C@H]2[C@H]1CCN2c1cc[nH+]cc1 ZINC001336423995 977675211 /nfs/dbraw/zinc/67/52/11/977675211.db2.gz QYXGTMKZXWTNRQ-KGLIPLIRSA-N 2 0 247.342 1.117 20 0 BDADRP c1c(C[N@@H+]2CCCOCC2)[nH]c2cc[nH+]cc12 ZINC001232011640 977834989 /nfs/dbraw/zinc/83/49/89/977834989.db2.gz NLFMFVGWYLDSHI-UHFFFAOYSA-N 2 0 231.299 1.785 20 0 BDADRP Cc1[nH+]cc(Nc2cc(C)[nH+]c(C)c2)n1C ZINC001176051219 977897221 /nfs/dbraw/zinc/89/72/21/977897221.db2.gz CNBDEXHHNOSLDL-UHFFFAOYSA-N 2 0 216.288 1.906 20 0 BDADRP C[C@@H](NC(=[NH2+])NCCC[NH+]1CCCC1)C1CC1 ZINC001336889068 978029097 /nfs/dbraw/zinc/02/90/97/978029097.db2.gz PCIQFTFYAHAVLH-LLVKDONJSA-N 2 0 238.379 1.385 20 0 BDADRP Cc1nc(CN2CCC([NH+]3CCC3)CC2)c[nH]1 ZINC001232469697 978118150 /nfs/dbraw/zinc/11/81/50/978118150.db2.gz YBKMEGVKEASRFF-UHFFFAOYSA-N 2 0 234.347 1.388 20 0 BDADRP CC[N@@H+]1CC[C@H](NC[C@H]2CCC[NH+](C)C2)C1 ZINC000328202059 978208203 /nfs/dbraw/zinc/20/82/03/978208203.db2.gz SEEPTPOQGYXJDX-OLZOCXBDSA-N 2 0 225.380 1.012 20 0 BDADRP C[NH+](C)CCCO[C@H]1C[NH+]2CCC1CC2 ZINC001206296249 978301169 /nfs/dbraw/zinc/30/11/69/978301169.db2.gz LIXIDVMYCQXKRJ-LBPRGKRZSA-N 2 0 212.337 1.049 20 0 BDADRP Cn1c[nH+]cc1N1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001277765874 978473428 /nfs/dbraw/zinc/47/34/28/978473428.db2.gz VGSKXVZFRKBAJL-TXEJJXNPSA-N 2 0 234.347 1.198 20 0 BDADRP Cc1ncc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)o1 ZINC001233367602 978581581 /nfs/dbraw/zinc/58/15/81/978581581.db2.gz TTYVJKSFLITZJH-UHFFFAOYSA-N 2 0 249.358 1.901 20 0 BDADRP C[NH+]1CCC2(C[NH+](Cc3cccc(N)n3)C2)CC1 ZINC001233372392 978587522 /nfs/dbraw/zinc/58/75/22/978587522.db2.gz LPELTGMYEQGRLS-UHFFFAOYSA-N 2 0 246.358 1.191 20 0 BDADRP CC[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](C)C2)CCO1 ZINC000069863049 978766687 /nfs/dbraw/zinc/76/66/87/978766687.db2.gz FTXWAEUYJYVBPD-AVGNSLFASA-N 2 0 226.364 1.485 20 0 BDADRP CN1CC(Oc2cccc3c2CC[N@H+](C)C3)C1 ZINC001234419718 978831880 /nfs/dbraw/zinc/83/18/80/978831880.db2.gz DYPKXFFCKOLUNT-UHFFFAOYSA-N 2 0 232.327 1.367 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CCN2CC[NH+](C)CC2)C1 ZINC000070761643 978891368 /nfs/dbraw/zinc/89/13/68/978891368.db2.gz NKYOLNWRYFUMCW-OLZOCXBDSA-N 2 0 225.380 1.012 20 0 BDADRP CC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001277888073 978904171 /nfs/dbraw/zinc/90/41/71/978904171.db2.gz HFNGUWTXZULZSB-WCFLWFBJSA-N 2 0 224.348 1.238 20 0 BDADRP CC[C@@H]([NH3+])CN1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235040519 978958006 /nfs/dbraw/zinc/95/80/06/978958006.db2.gz LIDBPUUJYGMWKC-OLZOCXBDSA-N 2 0 225.380 1.332 20 0 BDADRP c1[nH+]cn2c1cccc2CN1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235082366 978971750 /nfs/dbraw/zinc/97/17/50/978971750.db2.gz SUAGDJHJCREFCI-ZIAGYGMSSA-N 2 0 242.326 1.271 20 0 BDADRP C(CN1CCCCC12C[NH2+]C2)[C@H]1CCCC[NH2+]1 ZINC001235104639 978975928 /nfs/dbraw/zinc/97/59/28/978975928.db2.gz VIFQWWVFFSEUSY-CYBMUJFWSA-N 2 0 237.391 1.347 20 0 BDADRP [NH3+]CCCCCN1CCCC[C@@]12CC[NH2+]C2 ZINC001235121308 978978404 /nfs/dbraw/zinc/97/84/04/978978404.db2.gz CHIDEXRLMRFJMU-ZDUSSCGKSA-N 2 0 225.380 1.333 20 0 BDADRP CC[C@@H](N)C[N@@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235154965 978983921 /nfs/dbraw/zinc/98/39/21/978983921.db2.gz XJOIUQZFTXEJOX-KGLIPLIRSA-N 2 0 239.407 1.578 20 0 BDADRP OCCCCC[N@@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235172905 978984794 /nfs/dbraw/zinc/98/47/94/978984794.db2.gz MPZCEUATSOOSKM-CQSZACIVSA-N 2 0 240.391 1.757 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC001235187029 978994260 /nfs/dbraw/zinc/99/42/60/978994260.db2.gz QTIHBMLFCXLJKS-LBPRGKRZSA-N 2 0 212.337 1.228 20 0 BDADRP CN(CC[C@@H]1CCCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC001235342037 979021880 /nfs/dbraw/zinc/02/18/80/979021880.db2.gz GRALBNOFVUGEMX-QWHCGFSZSA-N 2 0 225.380 1.202 20 0 BDADRP CC(C)[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCN1 ZINC001235471849 979052297 /nfs/dbraw/zinc/05/22/97/979052297.db2.gz VDNCNRXDYYOXFO-KBPBESRZSA-N 2 0 239.407 1.306 20 0 BDADRP CN1CC[N@H+](CCCC[NH3+])Cc2cccnc21 ZINC001235611447 979104598 /nfs/dbraw/zinc/10/45/98/979104598.db2.gz LWNIARMNBVDBHF-UHFFFAOYSA-N 2 0 234.347 1.072 20 0 BDADRP COCC[C@@H]1CCCC[N@@H+]1CCCC[NH3+] ZINC001235688574 979117249 /nfs/dbraw/zinc/11/72/49/979117249.db2.gz RDRXVALCQCMQBO-LBPRGKRZSA-N 2 0 214.353 1.616 20 0 BDADRP Cc1ccc(C[NH+]2CCN(C[C@H](C)[NH3+])CC2)cc1 ZINC001235692456 979125796 /nfs/dbraw/zinc/12/57/96/979125796.db2.gz OAZQKOIZFZQQPT-AWEZNQCLSA-N 2 0 247.386 1.460 20 0 BDADRP CN(CCC[NH2+]C1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC001235736284 979129223 /nfs/dbraw/zinc/12/92/23/979129223.db2.gz TUBKWCUYSWFQIS-CQSZACIVSA-N 2 0 239.407 1.593 20 0 BDADRP CCN(C[C@H]1CCCC[NH2+]1)C1CC[NH2+]CC1 ZINC001235762605 979143237 /nfs/dbraw/zinc/14/32/37/979143237.db2.gz ZNJNQXUGFSKWHP-GFCCVEGCSA-N 2 0 225.380 1.202 20 0 BDADRP CC[C@@H](C)C[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1C[NH3+] ZINC001340917959 979157306 /nfs/dbraw/zinc/15/73/06/979157306.db2.gz ROHWDKYAIUTFCC-IJLUTSLNSA-N 2 0 241.379 1.090 20 0 BDADRP C[N@H+](CCCC[NH3+])CCC(=O)c1ccccc1 ZINC001235839189 979168811 /nfs/dbraw/zinc/16/88/11/979168811.db2.gz LYZONOXMJGOLRO-UHFFFAOYSA-N 2 0 234.343 1.930 20 0 BDADRP CC[C@@H]([NH3+])CN1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001235857977 979172209 /nfs/dbraw/zinc/17/22/09/979172209.db2.gz BZGSMUOYLFFKNJ-ZIAGYGMSSA-N 2 0 233.359 1.370 20 0 BDADRP c1ccc([C@@H]2CN(C[C@H]3CC[NH2+]C3)CC[NH2+]2)cc1 ZINC001235859835 979173895 /nfs/dbraw/zinc/17/38/95/979173895.db2.gz PNVGMRFWUQIVOO-ZFWWWQNUSA-N 2 0 245.370 1.242 20 0 BDADRP CC(C)C[C@H]1CN(C[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001235878617 979177939 /nfs/dbraw/zinc/17/79/39/979177939.db2.gz OGDIUPJDNYNWFA-KBPBESRZSA-N 2 0 239.407 1.306 20 0 BDADRP CC(C)C[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCN1 ZINC001235877935 979178376 /nfs/dbraw/zinc/17/83/76/979178376.db2.gz FFKHHHNPZNLENK-AWEZNQCLSA-N 2 0 239.407 1.306 20 0 BDADRP C[C@H]1CC[C@H]([NH3+])CN1Cc1ccc2c(c1)C[NH2+]C2 ZINC001235909161 979200097 /nfs/dbraw/zinc/20/00/97/979200097.db2.gz ZVBOEKSHJZYFBU-NHYWBVRUSA-N 2 0 245.370 1.601 20 0 BDADRP C[C@H]1CC[C@@H]([NH3+])CN1Cc1ccc2c(c1)CCN2 ZINC001235907682 979200835 /nfs/dbraw/zinc/20/08/35/979200835.db2.gz SFVLWEWFMAUWMG-SMDDNHRTSA-N 2 0 245.370 1.966 20 0 BDADRP [NH3+]Cc1cccc(CN2CC3(C2)CCCC[NH2+]3)c1 ZINC001235921873 979207831 /nfs/dbraw/zinc/20/78/31/979207831.db2.gz JBFCJWNCZHAORZ-UHFFFAOYSA-N 2 0 245.370 1.473 20 0 BDADRP CC(C)[N@H+](CCN)CC[C@@H]1CCC[NH2+]C1 ZINC001235948120 979217355 /nfs/dbraw/zinc/21/73/55/979217355.db2.gz JUFZHKOMDOMETK-LBPRGKRZSA-N 2 0 213.369 1.045 20 0 BDADRP CCOC(C)(C)C[N@@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235976977 979241467 /nfs/dbraw/zinc/24/14/67/979241467.db2.gz DRDNKYHLRAQCBC-CMPLNLGQSA-N 2 0 212.337 1.225 20 0 BDADRP CS[C@@H](C)CC[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235990766 979281482 /nfs/dbraw/zinc/28/14/82/979281482.db2.gz COCBQRGMOKFFNZ-WSMDXJOWSA-N 2 0 244.404 1.034 20 0 BDADRP CCN(CC1(F)CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC001236006437 979296208 /nfs/dbraw/zinc/29/62/08/979296208.db2.gz SMBFISANLVRHSI-LBPRGKRZSA-N 2 0 243.370 1.152 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CN(CC2(C)CC[NH2+]CC2)C1 ZINC001236046003 979345601 /nfs/dbraw/zinc/34/56/01/979345601.db2.gz ZSDFVDDDKPSUKJ-NEPJUHHUSA-N 2 0 225.380 1.045 20 0 BDADRP CNc1ccc(CN2C[C@H]3CC[C@@H](C2)[NH2+]C3)cc1 ZINC001236060224 979346200 /nfs/dbraw/zinc/34/62/00/979346200.db2.gz MVGRLITURZOBIQ-ZFWWWQNUSA-N 2 0 245.370 1.912 20 0 BDADRP CCOC(=O)[C@@]1(C)CCC[N@H+](CCCC[NH3+])C1 ZINC001236071226 979358876 /nfs/dbraw/zinc/35/88/76/979358876.db2.gz GMMVAINQRZXUGL-ZDUSSCGKSA-N 2 0 242.363 1.391 20 0 BDADRP C[C@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)[C@@H](C)CN1 ZINC001236078151 979363186 /nfs/dbraw/zinc/36/31/86/979363186.db2.gz GGIHWRJLAWNBPY-RWMBFGLXSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H]([NH3+])CN1CC[NH2+]C[C@@H]1c1cccs1 ZINC001236116192 979395248 /nfs/dbraw/zinc/39/52/48/979395248.db2.gz WMBWBBGDNUMQAI-NXEZZACHSA-N 2 0 225.361 1.042 20 0 BDADRP CC(C)(C)C[N@H+](CCO)CCC[NH2+]C1CC1 ZINC000689972391 979412594 /nfs/dbraw/zinc/41/25/94/979412594.db2.gz UWWSOFYANZWZJS-UHFFFAOYSA-N 2 0 228.380 1.469 20 0 BDADRP C[NH2+][C@@H]1CCN1CCC[NH2+]C1CCCCC1 ZINC001236166201 979421496 /nfs/dbraw/zinc/42/14/96/979421496.db2.gz IEYKNJIBZLEKKM-ZDUSSCGKSA-N 2 0 225.380 1.550 20 0 BDADRP CCC[C@H]1CN(C[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001236176856 979435554 /nfs/dbraw/zinc/43/55/54/979435554.db2.gz JRTVMGYPZOYVCF-STQMWFEESA-N 2 0 225.380 1.060 20 0 BDADRP CN(CC1(F)CC[NH2+]CC1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236213761 979453091 /nfs/dbraw/zinc/45/30/91/979453091.db2.gz OPANOWHZCJCQHK-VXGBXAGGSA-N 2 0 243.370 1.280 20 0 BDADRP CC(C)(C)[C@H]([NH3+])CC(=O)NC1(C)CC[NH2+]CC1 ZINC001341661166 979501800 /nfs/dbraw/zinc/50/18/00/979501800.db2.gz ZJDZJSNMACESJI-SNVBAGLBSA-N 2 0 241.379 1.008 20 0 BDADRP CC(C)C[C@@](C)(C[NH3+])C(=O)NC[C@H](C)[NH+](C)C ZINC001341672219 979507124 /nfs/dbraw/zinc/50/71/24/979507124.db2.gz BOEYSCMWTQXKRZ-AAEUAGOBSA-N 2 0 243.395 1.064 20 0 BDADRP COCCCC[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314172 979523775 /nfs/dbraw/zinc/52/37/75/979523775.db2.gz JCSWSKHHGGXURS-BETUJISGSA-N 2 0 226.364 1.344 20 0 BDADRP Fc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)nc1 ZINC001236316346 979527941 /nfs/dbraw/zinc/52/79/41/979527941.db2.gz RGBFBJNUPCKCOZ-TXEJJXNPSA-N 2 0 249.333 1.652 20 0 BDADRP Cc1nc(C)c(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)[nH]1 ZINC001236320480 979531793 /nfs/dbraw/zinc/53/17/93/979531793.db2.gz HROHISRPMNULBQ-BETUJISGSA-N 2 0 248.374 1.458 20 0 BDADRP CCCc1ccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001206525608 979561864 /nfs/dbraw/zinc/56/18/64/979561864.db2.gz UUWQHRZNWPKPNU-GJZGRUSLSA-N 2 0 248.370 1.391 20 0 BDADRP COc1cccc([C@H]2CCN(C[C@@H](C)[NH3+])C2)c1 ZINC001236410905 979584245 /nfs/dbraw/zinc/58/42/45/979584245.db2.gz KMJGMSBBXFWCSV-YPMHNXCESA-N 2 0 234.343 1.832 20 0 BDADRP C[NH+](C)Cc1cccc(-c2cc(C[NH3+])ncn2)c1 ZINC001236413184 979587465 /nfs/dbraw/zinc/58/74/65/979587465.db2.gz APHMCGZFXANHAD-UHFFFAOYSA-N 2 0 242.326 1.664 20 0 BDADRP C[C@H]1[C@H]([NH3+])CCCN1Cc1ccc(C[NH3+])cc1 ZINC001236416937 979589638 /nfs/dbraw/zinc/58/96/38/979589638.db2.gz AQPZLEMLINMMAV-SMDDNHRTSA-N 2 0 233.359 1.457 20 0 BDADRP CC[N@H+](C)C1CC[NH+](CCCC[NH3+])CC1 ZINC001236460555 979605195 /nfs/dbraw/zinc/60/51/95/979605195.db2.gz QPSXZAOJLANOCA-UHFFFAOYSA-N 3 0 213.369 1.141 20 0 BDADRP CC(C)C[N@H+](CCN)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550163 979633232 /nfs/dbraw/zinc/63/32/32/979633232.db2.gz HPFIAGFTOBALEW-HAQNSBGRSA-N 2 0 213.369 1.173 20 0 BDADRP CC[C@@H](N)C[N@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236552674 979636106 /nfs/dbraw/zinc/63/61/06/979636106.db2.gz YUPWKAZUHSIFEY-MGPQQGTHSA-N 2 0 241.423 1.952 20 0 BDADRP [NH3+][C@H]1CC[C@H]([N@H+](CCO)Cc2cccnc2)CC1 ZINC001236564939 979637596 /nfs/dbraw/zinc/63/75/96/979637596.db2.gz QANKISSIVRVLOY-HDJSIYSDSA-N 2 0 249.358 1.146 20 0 BDADRP C[C@@]1(C[NH3+])CCCC[N@H+](CCCCO)C1 ZINC001206542168 979655016 /nfs/dbraw/zinc/65/50/16/979655016.db2.gz TXNMPMXNGNYSMH-LBPRGKRZSA-N 2 0 214.353 1.210 20 0 BDADRP CC[C@@H]([NH3+])CN(C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236584403 979664984 /nfs/dbraw/zinc/66/49/84/979664984.db2.gz AJDFMJKSLDKMAA-VXGBXAGGSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cc[nH]c(=O)c2)C1 ZINC001206549234 979676337 /nfs/dbraw/zinc/67/63/37/979676337.db2.gz LJRIMFDWJTWCMM-AWEZNQCLSA-N 2 0 249.358 1.738 20 0 BDADRP CC1(C[N@@H+]2CCC[C@](C)([NH3+])CC2)COC1 ZINC001205254861 979731222 /nfs/dbraw/zinc/73/12/22/979731222.db2.gz CQHCQOOEZCWFPC-LBPRGKRZSA-N 2 0 212.337 1.226 20 0 BDADRP C[C@]1([NH3+])CCC[N@H+](C[C@H]2CCCCO2)CC1 ZINC001205256921 979747471 /nfs/dbraw/zinc/74/74/71/979747471.db2.gz SHTMOVRJQBKJSF-OLZOCXBDSA-N 2 0 226.364 1.759 20 0 BDADRP C[C@]1([NH3+])CCC[N@H+](Cc2ccco2)CC1 ZINC001205257125 979758173 /nfs/dbraw/zinc/75/81/73/979758173.db2.gz SIXSSCDDBWSOKO-LBPRGKRZSA-N 2 0 208.305 1.983 20 0 BDADRP C[C@@]1([NH3+])CCC[N@H+](C[C@H]2CCC=CO2)CC1 ZINC001205257426 979760152 /nfs/dbraw/zinc/76/01/52/979760152.db2.gz VMRKGEUVDZLJHN-CHWSQXEVSA-N 2 0 224.348 1.882 20 0 BDADRP [NH3+]C1(C(=O)Nc2cccc3c2C[NH2+]C3)CCCC1 ZINC001342395061 979789833 /nfs/dbraw/zinc/78/98/33/979789833.db2.gz BRWZZSDWRIPVKR-UHFFFAOYSA-N 2 0 245.326 1.500 20 0 BDADRP Nc1cc[nH+]cc1CN1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237384750 979881066 /nfs/dbraw/zinc/88/10/66/979881066.db2.gz XWRJBPIAJROFMJ-RISCZKNCSA-N 2 0 246.358 1.068 20 0 BDADRP C[C@@]1([NH3+])CCC[N@H+](Cc2cccnc2N)CC1 ZINC001205280795 979881234 /nfs/dbraw/zinc/88/12/34/979881234.db2.gz JCMXPLFGGIGBCP-CYBMUJFWSA-N 2 0 234.347 1.367 20 0 BDADRP [NH3+][C@@H](CCC(=O)N[C@@H]1C[C@@H]([NH3+])C1)c1ccccc1 ZINC001342842868 979912373 /nfs/dbraw/zinc/91/23/73/979912373.db2.gz LRICGPLRWZJXDW-AVGNSLFASA-N 2 0 247.342 1.073 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)NC[C@H]1CCC[NH2+]CC1 ZINC001342859279 979918654 /nfs/dbraw/zinc/91/86/54/979918654.db2.gz RPVIBJLANNEZIV-WCQYABFASA-N 2 0 241.379 1.010 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1CCC[NH2+]CC1 ZINC001342859281 979920685 /nfs/dbraw/zinc/92/06/85/979920685.db2.gz RPVIBJLANNEZIV-YPMHNXCESA-N 2 0 241.379 1.010 20 0 BDADRP Fc1ccc(CC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC001342865369 979922806 /nfs/dbraw/zinc/92/28/06/979922806.db2.gz ZRDODQNCKNTZFJ-STQMWFEESA-N 2 0 234.318 1.519 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[NH+]2CCC1CC2)[C@@H]1CC1(F)F ZINC001184135056 979945075 /nfs/dbraw/zinc/94/50/75/979945075.db2.gz KRBJJPMBRHQEBU-DLOVCJGASA-N 2 0 244.329 1.962 20 0 BDADRP CC(C)(C)[C@H]([NH3+])CC(=O)N[C@H]1CC[NH2+]C1(C)C ZINC001343528270 980142385 /nfs/dbraw/zinc/14/23/85/980142385.db2.gz ZHDDUCQMCWLUNO-ZJUUUORDSA-N 2 0 241.379 1.007 20 0 BDADRP CN(CCC[NH+](C)C)Cc1cccc2c[nH+]cn21 ZINC001238102474 980151063 /nfs/dbraw/zinc/15/10/63/980151063.db2.gz DCOWSDSWOHNJMB-UHFFFAOYSA-N 2 0 246.358 1.718 20 0 BDADRP COCCN(C)Cc1cccc2c[nH+]cn21 ZINC001238104711 980155323 /nfs/dbraw/zinc/15/53/23/980155323.db2.gz YTVFXALXJXQVML-UHFFFAOYSA-N 2 0 219.288 1.413 20 0 BDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC(C)(C)CC[NH3+] ZINC001343702461 980201592 /nfs/dbraw/zinc/20/15/92/980201592.db2.gz YJKUWURQONTQLB-LLVKDONJSA-N 2 0 241.379 1.103 20 0 BDADRP Cc1ncncc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC001238168126 980203848 /nfs/dbraw/zinc/20/38/48/980203848.db2.gz FVLTUKRQSUGHJY-UHFFFAOYSA-N 2 0 248.374 1.559 20 0 BDADRP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC001343714231 980214402 /nfs/dbraw/zinc/21/44/02/980214402.db2.gz LXXPKCSXDQMBNA-SDDRHHMPSA-N 2 0 241.379 1.101 20 0 BDADRP CC(C)(CCN1C[C@@H]([NH3+])[C@H](O)C1)c1ccccc1 ZINC001205347148 980339035 /nfs/dbraw/zinc/33/90/35/980339035.db2.gz JSNHWIMKGJCSHO-ZIAGYGMSSA-N 2 0 248.370 1.358 20 0 BDADRP [NH3+]Cc1ccccc1NC(=O)C1=CCC[NH2+]CC1 ZINC001345707205 980676085 /nfs/dbraw/zinc/67/60/85/980676085.db2.gz XSPFETDJGFVOSB-UHFFFAOYSA-N 2 0 245.326 1.394 20 0 BDADRP OC1(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CCCCCC1 ZINC001190436692 980874258 /nfs/dbraw/zinc/87/42/58/980874258.db2.gz HKLNNJHDVZXSPR-CHWSQXEVSA-N 2 0 238.375 1.223 20 0 BDADRP c1cc(N2CC[NH+](C3CCC3)CC2)cc[nH+]1 ZINC001347746369 981159889 /nfs/dbraw/zinc/15/98/89/981159889.db2.gz PHKLEIXQZXIULW-UHFFFAOYSA-N 2 0 217.316 1.756 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2ccc(N)nc2)CC[C@@H]1C[NH3+] ZINC001205638333 981396671 /nfs/dbraw/zinc/39/66/71/981396671.db2.gz MOJACHXQKLUAKC-DGCLKSJQSA-N 2 0 248.374 1.471 20 0 BDADRP CCc1cc(N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)cc[nH+]1 ZINC001348564740 981397411 /nfs/dbraw/zinc/39/74/11/981397411.db2.gz CLLZIFJJHKLPIX-KCPJHIHWSA-N 2 0 245.370 1.818 20 0 BDADRP Nc1[nH]c2ccc(C3=CC[NH2+]CC3)cc2[nH+]1 ZINC001240466696 981398479 /nfs/dbraw/zinc/39/84/79/981398479.db2.gz FRRIJFQJGDNHJQ-UHFFFAOYSA-N 2 0 214.272 1.522 20 0 BDADRP c1cc(C2=CCC[NH2+]C2)ncc1[C@H]1CCC[NH2+]1 ZINC001240650572 981558054 /nfs/dbraw/zinc/55/80/54/981558054.db2.gz RBUKUQYSXKILGF-CYBMUJFWSA-N 2 0 229.327 1.883 20 0 BDADRP Nc1[nH]c2cc(C3=CCC[NH2+]C3)ccc2[nH+]1 ZINC001240664224 981573490 /nfs/dbraw/zinc/57/34/90/981573490.db2.gz GDTXUBHLNVRXBG-UHFFFAOYSA-N 2 0 214.272 1.522 20 0 BDADRP c1cc2c(c(C3=CCC[NH2+]C3)c1)CC[NH2+]C2 ZINC001240663687 981574099 /nfs/dbraw/zinc/57/40/99/981574099.db2.gz AVMJOZOPODEOCC-UHFFFAOYSA-N 2 0 214.312 1.709 20 0 BDADRP CCC[N@@H+]1CCCC[C@H]1C(=O)N(CC)CC[NH3+] ZINC001349608936 981595382 /nfs/dbraw/zinc/59/53/82/981595382.db2.gz WDKUIYRQVWVXLG-LBPRGKRZSA-N 2 0 241.379 1.058 20 0 BDADRP O[C@@H](C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C1CC[NH2+]CC1 ZINC001580878524 981675040 /nfs/dbraw/zinc/67/50/40/981675040.db2.gz QTQIKXVWBIEDIL-RFGFWPKPSA-N 2 0 238.375 1.125 20 0 BDADRP OCC1(C[NH2+]CC23CC(C2)C[NH2+]3)CCCCC1 ZINC001580881049 981684958 /nfs/dbraw/zinc/68/49/58/981684958.db2.gz BJDRBMIRYLGHJZ-UHFFFAOYSA-N 2 0 238.375 1.271 20 0 BDADRP OC[C@H](CC1CCCC1)[NH2+]C[C@]12C[C@H]1C[NH2+]C2 ZINC001580882213 981688117 /nfs/dbraw/zinc/68/81/17/981688117.db2.gz OZPOISXAJDTVQI-MELADBBJSA-N 2 0 238.375 1.127 20 0 BDADRP O[C@H]1CCCC[C@H]1C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001580880828 981689839 /nfs/dbraw/zinc/68/98/39/981689839.db2.gz YVXLSLRXKKHWCA-RFGFWPKPSA-N 2 0 238.375 1.079 20 0 BDADRP O[C@H]1[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)CCCC1(F)F ZINC001580885854 981707572 /nfs/dbraw/zinc/70/75/72/981707572.db2.gz OZMBDDPRONDBED-MXWKQRLJSA-N 2 0 248.317 1.267 20 0 BDADRP C[NH+](C)Cc1cncc(C=C2CC[NH2+]CC2)c1 ZINC001240878681 981932731 /nfs/dbraw/zinc/93/27/31/981932731.db2.gz NHSDEAFWRHLPQL-UHFFFAOYSA-N 2 0 231.343 1.910 20 0 BDADRP C[C@@H](Cn1cccn1)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC001350949500 982130462 /nfs/dbraw/zinc/13/04/62/982130462.db2.gz AFUDGKHHUKVTKI-FRRDWIJNSA-N 2 0 236.363 1.107 20 0 BDADRP C[N@H+]1CC=C(c2cccc(C[NH3+])n2)CC1 ZINC001241309715 982451519 /nfs/dbraw/zinc/45/15/19/982451519.db2.gz XSVYQKLVIBMXQV-UHFFFAOYSA-N 2 0 203.289 1.259 20 0 BDADRP C[C@@H]1CC[C@H](CN)[N@H+](CC2CC[NH2+]CC2)C1 ZINC001205806359 982570657 /nfs/dbraw/zinc/57/06/57/982570657.db2.gz UDKXXAMJJSQPTC-DGCLKSJQSA-N 2 0 225.380 1.045 20 0 BDADRP CC1CC([NH2+][C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC001352763095 982570728 /nfs/dbraw/zinc/57/07/28/982570728.db2.gz YKRUBJRHHDCLKC-NZPNUOCISA-N 2 0 216.328 1.999 20 0 BDADRP C[NH2+]CCCCC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC001353201547 982764357 /nfs/dbraw/zinc/76/43/57/982764357.db2.gz REGNBQHEHBLTJA-NWDGAFQWSA-N 2 0 241.379 1.010 20 0 BDADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001354424495 983306529 /nfs/dbraw/zinc/30/65/29/983306529.db2.gz QKHZUYRNMQNLTK-YFKTTZPYSA-N 2 0 241.379 1.007 20 0 BDADRP CC(C)(C[NH3+])CC(=O)Nc1cccc2c1C[NH2+]C2 ZINC001354658402 983338497 /nfs/dbraw/zinc/33/84/97/983338497.db2.gz FYIAFXJYHYBCQR-UHFFFAOYSA-N 2 0 247.342 1.603 20 0 BDADRP CC[NH+]1CCC(CC[NH2+]C2CCOCC2)CC1 ZINC001200772904 983352272 /nfs/dbraw/zinc/35/22/72/983352272.db2.gz DIKMXANJJOLFRB-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP N[C@@H]1CCCC[N@H+](CCCCCC[NH3+])C1 ZINC001205923547 983353143 /nfs/dbraw/zinc/35/31/43/983353143.db2.gz PDHZIVLVHLIUAB-GFCCVEGCSA-N 2 0 213.369 1.319 20 0 BDADRP CC[NH+]1C[C@H]2C[NH+](CCC(C)C)C[C@@H]2C1 ZINC001201629765 983358371 /nfs/dbraw/zinc/35/83/71/983358371.db2.gz AWGZBGDWFJSUOE-STQMWFEESA-N 2 0 210.365 1.916 20 0 BDADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC001357454060 983719114 /nfs/dbraw/zinc/71/91/14/983719114.db2.gz SFWUNHOXEQGUGY-TUAOUCFPSA-N 2 0 241.379 1.008 20 0 BDADRP CC[NH+]1C[C@H]2C[NH+](CC3CCOCC3)C[C@@H]2C1 ZINC001202610339 984123796 /nfs/dbraw/zinc/12/37/96/984123796.db2.gz YLGHBTRIRYDUTI-KBPBESRZSA-N 2 0 238.375 1.297 20 0 BDADRP C[C@@H](Cc1ccsc1)[N@H+](C)C[C@@H](O)CC[NH3+] ZINC001576064990 984148576 /nfs/dbraw/zinc/14/85/76/984148576.db2.gz ABIWLTZTADTGCW-JQWIXIFHSA-N 2 0 242.388 1.321 20 0 BDADRP C[C@@H](O)C[C@H]1CCC[N@@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576272534 984166811 /nfs/dbraw/zinc/16/68/11/984166811.db2.gz LYDHRFYQWQZHNU-YVECIDJPSA-N 2 0 226.364 1.349 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC001577124965 984190392 /nfs/dbraw/zinc/19/03/92/984190392.db2.gz ZYVKXENPHOAPCZ-RHYQMDGZSA-N 2 0 224.348 1.271 20 0 BDADRP CCOC(=O)[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001577908254 984202914 /nfs/dbraw/zinc/20/29/14/984202914.db2.gz DTTXFFXSSREBTE-IJLUTSLNSA-N 2 0 242.363 1.163 20 0 BDADRP CCOC(=O)[C@H](C)[C@H](C)[NH2+]C[C@H](C[NH3+])C(C)C ZINC001577908514 984203275 /nfs/dbraw/zinc/20/32/75/984203275.db2.gz KNOYAHMRNJVEPF-WOPDTQHZSA-N 2 0 244.379 1.395 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1CN[C@H]1CC[NH2+]C12CCC2 ZINC001578528754 984216399 /nfs/dbraw/zinc/21/63/99/984216399.db2.gz KZKWWBDBEXAYQQ-OLZOCXBDSA-N 2 0 237.391 1.345 20 0 BDADRP C[NH2+]C[C@H](O)C[N@H+](C)CC12CCC(CC1)C2 ZINC001578653333 984220878 /nfs/dbraw/zinc/22/08/78/984220878.db2.gz WEPFIUSFDPSSFF-CPCZMJQVSA-N 2 0 226.364 1.079 20 0 BDADRP CO[C@@H](C[NH2+][C@H]1C[C@@H]([NH3+])C1)Cc1ccccc1 ZINC001578912203 984232059 /nfs/dbraw/zinc/23/20/59/984232059.db2.gz AAZCHAGIWAKUIV-HZSPNIEDSA-N 2 0 234.343 1.323 20 0 BDADRP C[NH2+]Cc1ccc(-c2ccc(C[NH3+])nc2)cc1 ZINC001242992729 984355809 /nfs/dbraw/zinc/35/58/09/984355809.db2.gz OFSVIGDZCJLVGA-UHFFFAOYSA-N 2 0 227.311 1.927 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+]CC1SCCS1)C2 ZINC001580167232 984405858 /nfs/dbraw/zinc/40/58/58/984405858.db2.gz WBNJTSFSMUUEMI-CCNFQMFXSA-N 2 0 230.402 1.262 20 0 BDADRP COCCC[N@@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001274936956 984409926 /nfs/dbraw/zinc/40/99/26/984409926.db2.gz MPDOAVIHWRDSIV-CQSZACIVSA-N 2 0 240.391 1.831 20 0 BDADRP [NH3+]CC12CCC(CC1)N2Cc1cc[nH]c(=O)c1 ZINC001580249457 984471227 /nfs/dbraw/zinc/47/12/27/984471227.db2.gz AAYMMDMWYOQBNO-UHFFFAOYSA-N 2 0 233.315 1.243 20 0 BDADRP [NH3+]CC[C@@H](O)C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC001580284647 984499238 /nfs/dbraw/zinc/49/92/38/984499238.db2.gz NEAMLVBOCSXTAW-CABCVRRESA-N 2 0 248.370 1.307 20 0 BDADRP Cc1cc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)[nH]n1 ZINC001275207806 984522196 /nfs/dbraw/zinc/52/21/96/984522196.db2.gz BFCZEICNJMDGDC-BETUJISGSA-N 2 0 248.374 1.492 20 0 BDADRP c1nocc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000718899206 984557226 /nfs/dbraw/zinc/55/72/26/984557226.db2.gz HYAXGJFMIWDERL-FOSCPWQOSA-N 2 0 221.304 1.090 20 0 BDADRP [NH3+]C1(c2ccccc2C2=CC[NH2+]C2)CC1 ZINC001243112326 984581909 /nfs/dbraw/zinc/58/19/09/984581909.db2.gz XOXNXLNMMIRFKI-UHFFFAOYSA-N 2 0 200.285 1.621 20 0 BDADRP O[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001580884475 984615291 /nfs/dbraw/zinc/61/52/91/984615291.db2.gz CPKSUZRCJKMAGR-UJPOAAIJSA-N 2 0 224.348 1.020 20 0 BDADRP O[C@@H]1CC[C@H]2CC[N@H+](C[C@@H]3CCCC[NH2+]C3)[C@@H]12 ZINC001580884684 984619866 /nfs/dbraw/zinc/61/98/66/984619866.db2.gz MBSGCHGDMZGLHV-XJFOESAGSA-N 2 0 238.375 1.221 20 0 BDADRP CC[NH+](CC)[C@H](C)CNC(=O)CC(C)(C)C[NH3+] ZINC001577697847 984637496 /nfs/dbraw/zinc/63/74/96/984637496.db2.gz UEBOTMXXIKGGCP-LLVKDONJSA-N 2 0 243.395 1.208 20 0 BDADRP CC[N@@H+]1CC[C@H]1CN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC001577768481 984717366 /nfs/dbraw/zinc/71/73/66/984717366.db2.gz ZFUMCLQLNNCHIQ-FRRDWIJNSA-N 2 0 225.380 1.201 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CC[C@](C)(C[NH3+])C2)CC1 ZINC001577763403 984726874 /nfs/dbraw/zinc/72/68/74/984726874.db2.gz AKHBEDFYHCFIIT-CQSZACIVSA-N 3 0 239.407 1.389 20 0 BDADRP CCN1CCC[C@@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)C1 ZINC001577770152 984765948 /nfs/dbraw/zinc/76/59/48/984765948.db2.gz ARCKPILCONGJPZ-CHWSQXEVSA-N 2 0 237.391 1.202 20 0 BDADRP CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC001577908424 984818437 /nfs/dbraw/zinc/81/84/37/984818437.db2.gz ITQJEXVIHWOPQH-WHOHXGKFSA-N 2 0 242.363 1.291 20 0 BDADRP CCOC(=O)[C@@H](C)[C@H](C)[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC001577908422 984820000 /nfs/dbraw/zinc/82/00/00/984820000.db2.gz ITQJEXVIHWOPQH-FIQHERPVSA-N 2 0 242.363 1.291 20 0 BDADRP CCOC(=O)[C@@H]1CC[N@H+](C[C@H](C[NH3+])C(C)C)C1 ZINC001577936060 984820988 /nfs/dbraw/zinc/82/09/88/984820988.db2.gz NAPBDPUWCGFPQO-NEPJUHHUSA-N 2 0 242.363 1.102 20 0 BDADRP CCOC(CC[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)OCC ZINC001578072821 984834985 /nfs/dbraw/zinc/83/49/85/984834985.db2.gz GYSCRDOFUOKKAX-WDEREUQCSA-N 2 0 244.379 1.491 20 0 BDADRP Cn1cnc(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c1 ZINC001276271724 984837083 /nfs/dbraw/zinc/83/70/83/984837083.db2.gz WHTOQYXUNUZFID-BETUJISGSA-N 2 0 248.374 1.194 20 0 BDADRP CCOC1CCC([NH2+][C@H]2C[C@H]([NH3+])C2)CC1 ZINC001578097744 984848554 /nfs/dbraw/zinc/84/85/54/984848554.db2.gz ITJMPHXMRPBLEQ-KYTFYNBLSA-N 2 0 212.337 1.413 20 0 BDADRP CCO[P@](C)(=O)CC[C@@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C1 ZINC001578148744 984853745 /nfs/dbraw/zinc/85/37/45/984853745.db2.gz IICCQQUECROYQN-UDKBDQPSSA-N 2 0 248.307 1.789 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)CC[NH3+])[C@]12CCCO2 ZINC001578148531 984855345 /nfs/dbraw/zinc/85/53/45/984855345.db2.gz BDWCPJYLUKAYMJ-UMSGYPCISA-N 2 0 242.363 1.040 20 0 BDADRP CCO[P@@](C)(=O)CC[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C1 ZINC001578148745 984855806 /nfs/dbraw/zinc/85/58/06/984855806.db2.gz IICCQQUECROYQN-ZSYFIWHWSA-N 2 0 248.307 1.789 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)CC[NH3+])[C@]12CCCO2 ZINC001578148532 984856019 /nfs/dbraw/zinc/85/60/19/984856019.db2.gz BDWCPJYLUKAYMJ-WUHRBBMRSA-N 2 0 242.363 1.040 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+]CCC2([NH3+])CCOCC2)C1 ZINC001578161837 984864078 /nfs/dbraw/zinc/86/40/78/984864078.db2.gz YBKFDKAZSKESRQ-HAQNSBGRSA-N 2 0 242.363 1.042 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+]Cc2cccc(C[NH3+])c2)C1 ZINC001578161225 984865806 /nfs/dbraw/zinc/86/58/06/984865806.db2.gz NFCNBUNJZIJBTM-HDJSIYSDSA-N 2 0 234.343 1.802 20 0 BDADRP CC[C@@H]1OCC[C@H]1[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC001578228608 984880095 /nfs/dbraw/zinc/88/00/95/984880095.db2.gz DKFXVGANAZDLMU-GRYCIOLGSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H](O)C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000691911026 984940038 /nfs/dbraw/zinc/94/00/38/984940038.db2.gz QSRDJMJHWJRKJC-LBPRGKRZSA-N 2 0 226.364 1.175 20 0 BDADRP CCc1ncc(C[NH2+]C[C@H]2CCC[NH2+]CC2)cn1 ZINC001578296875 984962028 /nfs/dbraw/zinc/96/20/28/984962028.db2.gz IOEVBVIMCJNWPR-LBPRGKRZSA-N 2 0 248.374 1.518 20 0 BDADRP CCn1cc(C[NH2+]C[C@H]2CC[C@@H]([NH3+])C2)cn1 ZINC001578348494 984984931 /nfs/dbraw/zinc/98/49/31/984984931.db2.gz UZZUUUTWKOLUAV-CMPLNLGQSA-N 2 0 222.336 1.120 20 0 BDADRP CCn1cc([C@H](C)[NH2+]C2CC3(C[C@@H]3[NH3+])C2)cn1 ZINC001578344389 984986655 /nfs/dbraw/zinc/98/66/55/984986655.db2.gz RNXLTTJUYKMTTE-WNDFQIMJSA-N 2 0 234.347 1.433 20 0 BDADRP C[N@H+](CC1CC[NH+](C)CC1)CC1(O)CCC1 ZINC000686011722 985038454 /nfs/dbraw/zinc/03/84/54/985038454.db2.gz HIZGYTLYEXTYBG-UHFFFAOYSA-N 2 0 226.364 1.175 20 0 BDADRP CN(CC(C)(C)C[NH+](C)C)C[C@]12C[C@H]1C[NH2+]C2 ZINC001578412864 985052140 /nfs/dbraw/zinc/05/21/40/985052140.db2.gz BGMMRFUUBADUQL-GXTWGEPZSA-N 2 0 239.407 1.116 20 0 BDADRP C[N@H+](CC(C)(C)C[NH3+])CC1(O)CCSCC1 ZINC001578438545 985066228 /nfs/dbraw/zinc/06/62/28/985066228.db2.gz SWJSRCULWHXGMG-UHFFFAOYSA-N 2 0 246.420 1.161 20 0 BDADRP C[N@H+](CCC(=O)OC(C)(C)C)C1CC([NH3+])C1 ZINC001578461324 985091472 /nfs/dbraw/zinc/09/14/72/985091472.db2.gz JVOPWNCQDYLAFS-UHFFFAOYSA-N 2 0 228.336 1.140 20 0 BDADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)[C@@H]1CCCC[C@H]1O ZINC001578463934 985100709 /nfs/dbraw/zinc/10/07/09/985100709.db2.gz ULNPIBKNJDZXMU-YNEHKIRRSA-N 2 0 226.364 1.221 20 0 BDADRP C[N@@H+](Cc1ccc(=O)[nH]c1)CC1CC[NH2+]CC1 ZINC001578489792 985121723 /nfs/dbraw/zinc/12/17/23/985121723.db2.gz MBWQBZUSUQLJLB-UHFFFAOYSA-N 2 0 235.331 1.219 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+]CC2CC[NH+](C)CC2)[C@@H](C)O1 ZINC000686509743 985125200 /nfs/dbraw/zinc/12/52/00/985125200.db2.gz LESGAGFHZWTLGH-YRGRVCCFSA-N 2 0 240.391 1.731 20 0 BDADRP C[N@@H+]1CCCC[C@H]1CNCC(C)(C)C[NH3+] ZINC001578529381 985129070 /nfs/dbraw/zinc/12/90/70/985129070.db2.gz TUCPNQOGXSJXOT-NSHDSACASA-N 2 0 213.369 1.045 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@@H]([NH3+])C3)[C@H]2C1 ZINC001578521173 985138962 /nfs/dbraw/zinc/13/89/62/985138962.db2.gz MJGAKUBNPWHAFI-ZSLBOAEBSA-N 3 0 237.391 1.186 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H](N[C@@H]3C[C@H]([NH3+])C34CCC4)[C@H]2C1 ZINC001578521158 985139677 /nfs/dbraw/zinc/13/96/77/985139677.db2.gz MGPMOLUOWRSYEY-HTVCTNPSSA-N 2 0 249.402 1.186 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H](N[C@@H]3C[C@@H]([NH3+])C3(C)C)[C@@H]2C1 ZINC001578521176 985144466 /nfs/dbraw/zinc/14/44/66/985144466.db2.gz MJYGAVWFDYMWRC-OBPIAQAESA-N 2 0 237.391 1.042 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(N)nc3)[C@@H]2C1 ZINC001578520916 985144699 /nfs/dbraw/zinc/14/46/99/985144699.db2.gz IXMSFUKBSWHJTH-YNEHKIRRSA-N 2 0 246.358 1.094 20 0 BDADRP C[N@@H+]1CC[C@H](N[C@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1(C)C ZINC001578525308 985152091 /nfs/dbraw/zinc/15/20/91/985152091.db2.gz VFDVTFOKRXFGMA-VOAKCMCISA-N 2 0 237.391 1.342 20 0 BDADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@H](C(C)C)C1 ZINC001578622698 985239360 /nfs/dbraw/zinc/23/93/60/985239360.db2.gz YNKPREJXXXLMTD-QWHCGFSZSA-N 2 0 228.380 1.325 20 0 BDADRP CO[C@@H]1CC[C@H](C)[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000687189787 985250940 /nfs/dbraw/zinc/25/09/40/985250940.db2.gz AUTGLLVQBHUIFF-QJPTWQEYSA-N 2 0 212.337 1.095 20 0 BDADRP C[NH2+]C[C@H](O)C[NH+]1CC(C)(C)CC(C)(C)C1 ZINC001578654767 985273174 /nfs/dbraw/zinc/27/31/74/985273174.db2.gz YVYPYUUETUZELX-NSHDSACASA-N 2 0 228.380 1.325 20 0 BDADRP C[NH2+]CC[C@@H]1CCCC[N@@H+]1C[C@H](O)CSC ZINC001578677185 985287590 /nfs/dbraw/zinc/28/75/90/985287590.db2.gz YNGPPRDAFJNLIQ-RYUDHWBXSA-N 2 0 246.420 1.174 20 0 BDADRP COC(=O)[C@]1(C)CCC[N@H+](CC(C)(C)C[NH3+])C1 ZINC001578779028 985344629 /nfs/dbraw/zinc/34/46/29/985344629.db2.gz XSTFNWCWMKXZKZ-CYBMUJFWSA-N 2 0 242.363 1.246 20 0 BDADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)C1 ZINC001578833602 985409613 /nfs/dbraw/zinc/40/96/13/985409613.db2.gz ZYKWPDKETAPBMU-KKOKHZNYSA-N 2 0 240.347 1.045 20 0 BDADRP COC(C)(C)[C@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC001578892870 985457540 /nfs/dbraw/zinc/45/75/40/985457540.db2.gz MATDNFNPKOUAFM-VWYCJHECSA-N 2 0 214.353 1.245 20 0 BDADRP CO[C@@H](C)C[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001578900941 985486489 /nfs/dbraw/zinc/48/64/89/985486489.db2.gz IGWPBZGCFWNECT-YFKTTZPYSA-N 2 0 212.337 1.142 20 0 BDADRP CO[C@@H](C)C[NH2+]C[C@H]1CCC[NH2+]CC1 ZINC001578900950 985490034 /nfs/dbraw/zinc/49/00/34/985490034.db2.gz IILDMFDIZURFMQ-QWRGUYRKSA-N 2 0 200.326 1.001 20 0 BDADRP CO[C@@H]([C@@H](C)[NH2+]C1CC2(C[C@H]2[NH3+])C1)C1CC1 ZINC001578902296 985493122 /nfs/dbraw/zinc/49/31/22/985493122.db2.gz ZATKMNWJPZTFPI-VIWMFIKASA-N 2 0 224.348 1.269 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H]2COC[C@@H]2C)CC1 ZINC000688041929 985509970 /nfs/dbraw/zinc/50/99/70/985509970.db2.gz DYZYQMWJIIGYFY-AAEUAGOBSA-N 2 0 226.364 1.343 20 0 BDADRP COC1(C[C@@H](C)[NH2+][C@H]2C[C@@H]([NH3+])C2)CCC1 ZINC001578926404 985529095 /nfs/dbraw/zinc/52/90/95/985529095.db2.gz GFRIHAAPJWMIPB-MXWKQRLJSA-N 2 0 212.337 1.413 20 0 BDADRP COC1(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)CCC1 ZINC001578926583 985529672 /nfs/dbraw/zinc/52/96/72/985529672.db2.gz HUQHFSIYIGLSBJ-STQMWFEESA-N 2 0 238.375 1.616 20 0 BDADRP CO[C@H]1CC[C@H]([N@@H+]2C[C@H]3C[NH2+]C[C@@]3(C)C2)C1 ZINC001578937117 985543973 /nfs/dbraw/zinc/54/39/73/985543973.db2.gz GTDZWKICPIPCGZ-VOAKCMCISA-N 2 0 224.348 1.095 20 0 BDADRP CO[C@H]1CC[C@@H]1[N@H+](C)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578937469 985548327 /nfs/dbraw/zinc/54/83/27/985548327.db2.gz JXISMOGLYNRYKA-USZNOCQGSA-N 2 0 212.337 1.223 20 0 BDADRP COC[C@H]([NH2+]C[C@@H]1CCCC[NH2+]C1)C(C)C ZINC001578970377 985581280 /nfs/dbraw/zinc/58/12/80/985581280.db2.gz TXFYBUFSPPLSTP-OLZOCXBDSA-N 2 0 228.380 1.637 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+]C[C@H](OC)C(C)(C)C ZINC001579000930 985641475 /nfs/dbraw/zinc/64/14/75/985641475.db2.gz DABPMWHNAMXBCK-QWRGUYRKSA-N 2 0 232.368 1.001 20 0 BDADRP c1nc2c(cc1C1=C[NH2+]CCC1)C[NH2+]CC2 ZINC001243949741 985644361 /nfs/dbraw/zinc/64/43/61/985644361.db2.gz IDTMZLCYPRHLGC-UHFFFAOYSA-N 2 0 215.300 1.452 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+]C[C@@H](OC)C(C)(C)C ZINC001579000931 985646720 /nfs/dbraw/zinc/64/67/20/985646720.db2.gz DABPMWHNAMXBCK-WDEREUQCSA-N 2 0 232.368 1.001 20 0 BDADRP C[NH+](C)C[C@@H]1CCN(C[C@]2(C)CCC[NH2+]C2)C1 ZINC000688478808 985655416 /nfs/dbraw/zinc/65/54/16/985655416.db2.gz BMDVIBCUHIERJH-UONOGXRCSA-N 2 0 239.407 1.260 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC001579003916 985662181 /nfs/dbraw/zinc/66/21/81/985662181.db2.gz NVFHNZCLEPLDRX-AVGNSLFASA-N 2 0 226.364 1.376 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+]C[C@H]1CC[C@H](C)C1 ZINC001579004393 985670580 /nfs/dbraw/zinc/67/05/80/985670580.db2.gz TYPZIJADXCMZFP-SRVKXCTJSA-N 2 0 214.353 1.376 20 0 BDADRP CO[C@@H]1CCCC[C@H]1[NH2+]C[C@@]12C[C@@H]1C[NH2+]C2 ZINC001579114749 985747533 /nfs/dbraw/zinc/74/75/33/985747533.db2.gz ZRKWDAZUVZESES-LPWJVIDDSA-N 2 0 224.348 1.143 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC001579114621 985751292 /nfs/dbraw/zinc/75/12/92/985751292.db2.gz RNFDYJNTNQXEMI-IRCOFANPSA-N 2 0 212.337 1.271 20 0 BDADRP COc1cc(CC[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)ccn1 ZINC001579148466 985813428 /nfs/dbraw/zinc/81/34/28/985813428.db2.gz BYSBCCNZOTZFGC-RYUDHWBXSA-N 2 0 249.358 1.348 20 0 BDADRP COC(=O)CC[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC001258347165 985824143 /nfs/dbraw/zinc/82/41/43/985824143.db2.gz HLJFMKDOERWAOC-GARJFASQSA-N 2 0 228.336 1.188 20 0 BDADRP COc1ccncc1C[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001579319683 985837741 /nfs/dbraw/zinc/83/77/41/985837741.db2.gz UOGADXDACRYQDM-YDGIUTOCSA-N 2 0 233.315 1.060 20 0 BDADRP COc1nc(C[NH+]2CCC(C[NH3+])CC2)ccc1C ZINC001579324002 985847021 /nfs/dbraw/zinc/84/70/21/985847021.db2.gz VUIBPGTWKRYYHE-UHFFFAOYSA-N 2 0 249.358 1.569 20 0 BDADRP CSC1(C[NH2+]C2CC3(C[C@H]3[NH3+])C2)CCC1 ZINC001579365127 985857616 /nfs/dbraw/zinc/85/76/16/985857616.db2.gz JEMUSVXAORMXPP-HSOILSAZSA-N 2 0 226.389 1.742 20 0 BDADRP CSC1(CN2CC3(C[NH2+]C3)C2)CCC1 ZINC001579365547 985859331 /nfs/dbraw/zinc/85/93/31/985859331.db2.gz QBSIYKGTLROLJS-UHFFFAOYSA-N 2 0 212.362 1.177 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC001460774826 985895808 /nfs/dbraw/zinc/89/58/08/985895808.db2.gz QNFIFKCQABDPAX-YIYPIFLZSA-N 2 0 238.375 1.173 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)[C@H](C)CCO1 ZINC001579439909 985926348 /nfs/dbraw/zinc/92/63/48/985926348.db2.gz BJCPGYHWAGFHON-IJLUTSLNSA-N 2 0 212.337 1.095 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCSC1 ZINC001579453869 985938720 /nfs/dbraw/zinc/93/87/20/985938720.db2.gz OUSWVPIDNCCDML-MXWKQRLJSA-N 2 0 214.378 1.327 20 0 BDADRP Cc1c[nH+]c(-c2cccc(OCC[NH3+])c2)cc1N ZINC001244322083 985952501 /nfs/dbraw/zinc/95/25/01/985952501.db2.gz CJPZHGNVAOMLHI-UHFFFAOYSA-N 2 0 243.310 1.977 20 0 BDADRP C[C@H]([NH2+]C[C@](C)(O)C[NH3+])c1ccc(Cl)s1 ZINC001579485756 986008490 /nfs/dbraw/zinc/00/84/90/986008490.db2.gz NJHHAXOLLLYWBZ-OIBJUYFYSA-N 2 0 248.779 1.762 20 0 BDADRP C[C@H]([NH2+]C[C@@]1(O)CC[NH2+]C1)C1CCCCCC1 ZINC001579485877 986009780 /nfs/dbraw/zinc/00/97/80/986009780.db2.gz VTOWQSXDYMLDEQ-GXTWGEPZSA-N 2 0 240.391 1.659 20 0 BDADRP C[C@H]1C[C@@H](O)C[N@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC001579496325 986021792 /nfs/dbraw/zinc/02/17/92/986021792.db2.gz RYKOVVDUKTUMCX-YNEHKIRRSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@H]1[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCSC1 ZINC001579504957 986045294 /nfs/dbraw/zinc/04/52/94/986045294.db2.gz AEBWOSGWSPOTNQ-BBBLOLIVSA-N 2 0 200.351 1.080 20 0 BDADRP C[C@H]1c2ccccc2C[N@H+]1CCN1CC[NH2+]CC1 ZINC001579507750 986052869 /nfs/dbraw/zinc/05/28/69/986052869.db2.gz JTEZZPSIHZQPNM-ZDUSSCGKSA-N 2 0 245.370 1.468 20 0 BDADRP Cc1c[nH]c(=O)c(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c1 ZINC001579543843 986072596 /nfs/dbraw/zinc/07/25/96/986072596.db2.gz LHQBJGUYJKCNSY-CMPLNLGQSA-N 2 0 235.331 1.313 20 0 BDADRP Cc1c[nH]c(=O)c(C[NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC001579544069 986075299 /nfs/dbraw/zinc/07/52/99/986075299.db2.gz QDXNRSDWPDPGPJ-NWDGAFQWSA-N 2 0 249.358 1.573 20 0 BDADRP Cc1cc(CN[C@H]2C[C@@H]([NH3+])C2)cc(Cl)n1 ZINC001579600760 986110895 /nfs/dbraw/zinc/11/08/95/986110895.db2.gz CSWYBOYWQRKIRI-AOOOYVTPSA-N 2 0 225.723 1.623 20 0 BDADRP Cc1cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc(C)n1 ZINC001579598325 986114044 /nfs/dbraw/zinc/11/40/44/986114044.db2.gz POKGBXKVBMBODF-CQSZACIVSA-N 2 0 233.359 1.869 20 0 BDADRP Cc1n[nH]cc1C[N@H+](C)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001579839490 986266461 /nfs/dbraw/zinc/26/64/61/986266461.db2.gz MPWLBVPXYFWPDF-CMPLNLGQSA-N 2 0 222.336 1.277 20 0 BDADRP Cc1ncc(C[NH2+]C[C@H]2CC[C@@H]([NH3+])C2)cn1 ZINC001579878563 986294481 /nfs/dbraw/zinc/29/44/81/986294481.db2.gz SHONCGVZQYVEDU-CMPLNLGQSA-N 2 0 220.320 1.002 20 0 BDADRP CC[NH+]1CCC(C[N@H+](C)C[C@@H](C)O)CC1 ZINC001462275953 986333854 /nfs/dbraw/zinc/33/38/54/986333854.db2.gz TUEPJABNRVKYSQ-LLVKDONJSA-N 2 0 214.353 1.031 20 0 BDADRP Cn1cc(Cl)c(C[NH2+][C@H]2CC[C@H]([NH3+])CC2)n1 ZINC001579965304 986355164 /nfs/dbraw/zinc/35/51/64/986355164.db2.gz NBDLKVVGCCEGDX-KYZUINATSA-N 2 0 242.754 1.433 20 0 BDADRP Cn1cc(C[N@@H+]2C[C@H]3CCCC[C@@]3(C[NH3+])C2)cn1 ZINC001579961280 986364700 /nfs/dbraw/zinc/36/47/00/986364700.db2.gz HBQXGXVDDRDGDH-ZIAGYGMSSA-N 2 0 248.374 1.371 20 0 BDADRP Cn1cc([C@@H]2C[C@H]2C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cn1 ZINC001579969099 986367972 /nfs/dbraw/zinc/36/79/72/986367972.db2.gz CZXCYEXGCYVFOZ-UVLXDEKHSA-N 2 0 248.374 1.241 20 0 BDADRP C[NH+](C)[C@H]1CC[C@@H]([NH2+]C[C@H](O)C(C)(C)C)CC1 ZINC001253752485 986374465 /nfs/dbraw/zinc/37/44/65/986374465.db2.gz VJVAHHNQZYOPQG-XQQFMLRXSA-N 2 0 242.407 1.856 20 0 BDADRP Cn1cncc1C1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001579984915 986382621 /nfs/dbraw/zinc/38/26/21/986382621.db2.gz KMGIYNSOTYFADW-BJHJDKERSA-N 2 0 248.374 1.337 20 0 BDADRP Cn1ncc(C[NH3+])c1C[NH2+]CC(C)(C)C1CC1 ZINC001580002329 986393986 /nfs/dbraw/zinc/39/39/86/986393986.db2.gz NZDQREZMVOHKMD-UHFFFAOYSA-N 2 0 236.363 1.405 20 0 BDADRP Cn1ncc(C[NH3+])c1C[NH+]1CCC(C)(F)CC1 ZINC001580002513 986401777 /nfs/dbraw/zinc/40/17/77/986401777.db2.gz WYSXKZYLZAVODD-UHFFFAOYSA-N 2 0 240.326 1.203 20 0 BDADRP FC1(F)[C@@H]2CC[N@H+](C[C@H]3CC[NH2+]C3)C[C@@H]21 ZINC001580023738 986416191 /nfs/dbraw/zinc/41/61/91/986416191.db2.gz DDFDMNBBQKYTOK-AEJSXWLSSA-N 2 0 216.275 1.183 20 0 BDADRP CC(C)[C@@H](O)C[NH2+]CC12CC[NH+](CC1)CC2 ZINC001253780096 986417490 /nfs/dbraw/zinc/41/74/90/986417490.db2.gz CIXTXIACQWYUTE-LBPRGKRZSA-N 2 0 226.364 1.079 20 0 BDADRP FC(F)(F)[C@@H]1C[C@H]1[NH2+]C1CC2(C[NH2+]C2)C1 ZINC001580021197 986420685 /nfs/dbraw/zinc/42/06/85/986420685.db2.gz MFCLXUSUOIKYMJ-HTQZYQBOSA-N 2 0 220.238 1.279 20 0 BDADRP FC1(F)[C@@H]2CC[N@H+](CC[C@@H]3CC[NH2+]C3)C[C@@H]21 ZINC001580023962 986426716 /nfs/dbraw/zinc/42/67/16/986426716.db2.gz LNOMHKUCIBUEGS-AXFHLTTASA-N 2 0 230.302 1.573 20 0 BDADRP O=c1ccc(C[NH2+]C[C@H]2C[NH+]3CCC2CC3)c[nH]1 ZINC001462637223 986466604 /nfs/dbraw/zinc/46/66/04/986466604.db2.gz RDXANDYUWJDZTE-ZDUSSCGKSA-N 2 0 247.342 1.219 20 0 BDADRP CCn1cncc1C[NH2+]C[C@H]1C[NH+]2CCC1CC2 ZINC001462634241 986471180 /nfs/dbraw/zinc/47/11/80/986471180.db2.gz INJBSYNZGNELIC-ZDUSSCGKSA-N 2 0 248.374 1.334 20 0 BDADRP CCN1CCC[C@@H]([NH2+]CC[C@@H](O)C2CC2)C1 ZINC001462663386 986496935 /nfs/dbraw/zinc/49/69/35/986496935.db2.gz RVRVNDJQNNSUIM-CHWSQXEVSA-N 2 0 226.364 1.221 20 0 BDADRP [NH3+][C@H](C(=O)Nc1ccc2c[nH+]cn2c1)C1CCC1 ZINC001580115645 986581798 /nfs/dbraw/zinc/58/17/98/986581798.db2.gz BQGPYPWQPDVVNY-LBPRGKRZSA-N 2 0 244.298 1.400 20 0 BDADRP [NH3+]CCc1cn([C@H]2CCCOC2)c2cc[nH+]cc12 ZINC001254370492 986594943 /nfs/dbraw/zinc/59/49/43/986594943.db2.gz RNCMTNAGPZIYHI-LBPRGKRZSA-N 2 0 245.326 1.889 20 0 BDADRP [NH3+]C1(CC[NH2+]C[C@H]2CCSC2)CCOCC1 ZINC001580144568 986614027 /nfs/dbraw/zinc/61/40/27/986614027.db2.gz KMMQGQIRVGHBKB-LLVKDONJSA-N 2 0 244.404 1.227 20 0 BDADRP [NH3+]C1(C[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CCC1 ZINC001580152268 986623757 /nfs/dbraw/zinc/62/37/57/986623757.db2.gz BNEYYZMCMHVIPI-JZRPKSSGSA-N 2 0 236.359 1.271 20 0 BDADRP [NH3+][C@H]1CC12CC([NH2+]Cc1cnn3ccccc13)C2 ZINC001580163843 986636634 /nfs/dbraw/zinc/63/66/34/986636634.db2.gz DPBVGBPVRFZBDM-QRMWWUJWSA-N 2 0 242.326 1.304 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+]CCc1ccco1)C2 ZINC001580164227 986638387 /nfs/dbraw/zinc/63/83/87/986638387.db2.gz GKTULVWHELHPMY-CKBZRRDASA-N 2 0 206.289 1.292 20 0 BDADRP [NH3+]C1CC([NH2+]C[C@H]2OCc3ccccc32)C1 ZINC001580167116 986643099 /nfs/dbraw/zinc/64/30/99/986643099.db2.gz ZOYKBBLAUKENLR-GCZXYKMCSA-N 2 0 218.300 1.337 20 0 BDADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@H]1CCCC[C@H]1O)C2 ZINC001580170793 986648157 /nfs/dbraw/zinc/64/81/57/986648157.db2.gz ZKSWUZAOFJKIDH-MQLXINIDSA-N 2 0 238.375 1.349 20 0 BDADRP C[C@H]1C[N@@H+]([C@@H]2CCC[NH+](C)CC2)CCCO1 ZINC001254516537 986654247 /nfs/dbraw/zinc/65/42/47/986654247.db2.gz NVKAWFHICJKMJO-QWHCGFSZSA-N 2 0 226.364 1.582 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH+]2CCC[C@]3(CCO3)C2)CC1 ZINC001254527548 986677358 /nfs/dbraw/zinc/67/73/58/986677358.db2.gz ZRKJEXCYPTZQFI-KGLIPLIRSA-N 2 0 238.375 1.726 20 0 BDADRP [NH3+]CC1(C[NH2+]C[C@]23C[C@H]2COC32CCC2)CC1 ZINC001580243293 986695444 /nfs/dbraw/zinc/69/54/44/986695444.db2.gz AUJVAVDKVKKUEY-WCQYABFASA-N 2 0 236.359 1.274 20 0 BDADRP [NH3+]CC1CC([NH2+]CCC2CSC2)C1 ZINC001580254996 986708362 /nfs/dbraw/zinc/70/83/62/986708362.db2.gz GQXSFXYKVHNQRA-UHFFFAOYSA-N 2 0 200.351 1.066 20 0 BDADRP [NH3+]CC1CC([NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001580254194 986711093 /nfs/dbraw/zinc/71/10/93/986711093.db2.gz AQLQQYZRLUCXHF-NPBHJFFNSA-N 2 0 208.349 1.892 20 0 BDADRP [NH3+]C[C@@]12CN(Cc3cc[nH]n3)C[C@H]1CCCC2 ZINC001580256864 986712132 /nfs/dbraw/zinc/71/21/32/986712132.db2.gz YNXUMRXOQKKZPE-YPMHNXCESA-N 2 0 234.347 1.361 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2ncccc2F)C1 ZINC001580288761 986730968 /nfs/dbraw/zinc/73/09/68/986730968.db2.gz WXXCWVVHFNTDAK-SNVBAGLBSA-N 2 0 223.295 1.391 20 0 BDADRP C[C@H](C[NH3+])CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000381594273 986736131 /nfs/dbraw/zinc/73/61/31/986736131.db2.gz DZVLTJTXYQIRTR-ODWCKFRGSA-N 2 0 225.380 1.186 20 0 BDADRP [NH3+]CCCOCC[NH2+]Cc1cc(C2CC2)no1 ZINC001580300960 986739581 /nfs/dbraw/zinc/73/95/81/986739581.db2.gz GZNFTQODWQPSIY-UHFFFAOYSA-N 2 0 239.319 1.007 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2Cc3cccc(O)c3C2)C1 ZINC001580389463 986811206 /nfs/dbraw/zinc/81/12/06/986811206.db2.gz IASBLHFHSCCQIM-UHTWSYAYSA-N 2 0 246.354 1.576 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@H](n3cccn3)C2)C1 ZINC001580387609 986812398 /nfs/dbraw/zinc/81/23/98/986812398.db2.gz QCWQQLIHNGFLHZ-XQQFMLRXSA-N 2 0 234.347 1.257 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+]Cc2cccc3n[nH]cc32)C1 ZINC001580389895 986814933 /nfs/dbraw/zinc/81/49/33/986814933.db2.gz WFAKYCCSCVVJBT-CMPLNLGQSA-N 2 0 244.342 1.780 20 0 BDADRP CC[NH+](CC)C[C@@H](O)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000383746166 986825583 /nfs/dbraw/zinc/82/55/83/986825583.db2.gz JDVXYCRYLCWVTK-HZSPNIEDSA-N 2 0 242.407 1.952 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+][C@H]2CCCC23CCOCC3)C1 ZINC001580430424 986848655 /nfs/dbraw/zinc/84/86/55/986848655.db2.gz LSMDBZCQNRSTQO-SRVKXCTJSA-N 2 0 224.348 1.415 20 0 BDADRP CCCC[C@@H](C)[NH+]1CCN(CCC[NH3+])CC1 ZINC001255313230 986905651 /nfs/dbraw/zinc/90/56/51/986905651.db2.gz DXAJMKNFZSAVFL-CYBMUJFWSA-N 2 0 227.396 1.532 20 0 BDADRP OCCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709409510 986942172 /nfs/dbraw/zinc/94/21/72/986942172.db2.gz WIGKVPZMUGVEEK-FUNVUKJBSA-N 2 0 226.364 1.412 20 0 BDADRP C[NH2+]CCCN(C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206584305 986943345 /nfs/dbraw/zinc/94/33/45/986943345.db2.gz YDBCBIFALUFVRO-CYBMUJFWSA-N 2 0 227.396 1.448 20 0 BDADRP C[NH2+]Cc1ccccc1-c1ccncc1C[NH3+] ZINC001245559923 986952685 /nfs/dbraw/zinc/95/26/85/986952685.db2.gz GWDJYFNFSUWVBS-UHFFFAOYSA-N 2 0 227.311 1.927 20 0 BDADRP [NH3+]Cc1cccc(-c2ccc3c[nH+]cn3c2)n1 ZINC001245895677 987113913 /nfs/dbraw/zinc/11/39/13/987113913.db2.gz FPFWQQYKKWAVOZ-UHFFFAOYSA-N 2 0 224.267 1.855 20 0 BDADRP C[C@](O)(C[NH2+]CC1([NH3+])CCCC1)c1ccccc1 ZINC001245973761 987249488 /nfs/dbraw/zinc/24/94/88/987249488.db2.gz IASJCOAGGCHCEE-AWEZNQCLSA-N 2 0 248.370 1.755 20 0 BDADRP CCCCC[C@@H](O)C[NH2+]CC1([NH3+])CCCC1 ZINC001245973896 987251060 /nfs/dbraw/zinc/25/10/60/987251060.db2.gz IXBVLVXLYUKUEY-GFCCVEGCSA-N 2 0 228.380 1.789 20 0 BDADRP CCCCC[C@H](O)C[NH2+]C[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001245974327 987251870 /nfs/dbraw/zinc/25/18/70/987251870.db2.gz MFLLGOSXYJEBBV-IHRRRGAJSA-N 2 0 242.407 1.905 20 0 BDADRP CC(C)(O)C[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001245983989 987265660 /nfs/dbraw/zinc/26/56/60/987265660.db2.gz WLHRDEIGFLMMSD-NSHDSACASA-N 2 0 226.364 1.269 20 0 BDADRP CCC[C@@H](O)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC001245993942 987277910 /nfs/dbraw/zinc/27/79/10/987277910.db2.gz JJQKOKQOVPDDHL-HBNTYKKESA-N 2 0 200.326 1.007 20 0 BDADRP CCCC[C@@H](O)C[NH2+][C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001245998070 987281657 /nfs/dbraw/zinc/28/16/57/987281657.db2.gz KTRHTXOTDDLTTF-MCIONIFRSA-N 2 0 240.391 1.931 20 0 BDADRP C[C@H]([NH3+])CC[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC001246001863 987283927 /nfs/dbraw/zinc/28/39/27/987283927.db2.gz PERSYHZFPDNSEC-JOYOIKCWSA-N 2 0 226.295 1.186 20 0 BDADRP C[NH+]1CCC(C[NH+]2CCC(CCO)CC2)CC1 ZINC000691357120 987284852 /nfs/dbraw/zinc/28/48/52/987284852.db2.gz AAGMZQVFASHWMI-UHFFFAOYSA-N 2 0 240.391 1.423 20 0 BDADRP CC[N@H+](CCCO)CC1CC[NH+](C)CC1 ZINC000691345997 987286166 /nfs/dbraw/zinc/28/61/66/987286166.db2.gz CIPAJPNIJVJSCA-UHFFFAOYSA-N 2 0 214.353 1.033 20 0 BDADRP CC(C)(C)OC[C@H](O)C[NH2+][C@H]1CCCC[C@H]1[NH3+] ZINC001246010626 987288884 /nfs/dbraw/zinc/28/88/84/987288884.db2.gz CAHWOFOMTCWYAZ-UTUOFQBUSA-N 2 0 244.379 1.022 20 0 BDADRP CCCCC[C@H](O)C[NH2+][C@H]1CCCC[C@H]1[NH3+] ZINC001246014099 987298913 /nfs/dbraw/zinc/29/89/13/987298913.db2.gz VGONWUOBVULVKM-XQQFMLRXSA-N 2 0 228.380 1.787 20 0 BDADRP C[NH2+]CCN[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246073186 987360063 /nfs/dbraw/zinc/36/00/63/987360063.db2.gz QNDHELLWLDCQTK-GJZGRUSLSA-N 2 0 247.386 1.159 20 0 BDADRP C[NH2+]CC[C@@H](C)N[C@H](C[NH3+])c1ccccc1 ZINC001246075963 987364023 /nfs/dbraw/zinc/36/40/23/987364023.db2.gz MHHRVKHSUDUDFB-DGCLKSJQSA-N 2 0 221.348 1.274 20 0 BDADRP C[C@H](CC[NH2+][C@@H]1COC(C)(C)C1)[NH+](C)C ZINC000697835948 987366486 /nfs/dbraw/zinc/36/64/86/987366486.db2.gz GPVDLFMJOYIJIR-MNOVXSKESA-N 2 0 214.353 1.484 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N[C@H]1CC[NH2+]C[C@H]1F ZINC001246080119 987372692 /nfs/dbraw/zinc/37/26/92/987372692.db2.gz DRJPCFJTWGECBJ-XQQFMLRXSA-N 2 0 245.386 1.396 20 0 BDADRP C1CC2(C[NH2+]1)CCC([NH2+]C1CC[NH2+]CC1)CC2 ZINC001246082517 987375598 /nfs/dbraw/zinc/37/55/98/987375598.db2.gz XATSBOSAHSJHJW-UHFFFAOYSA-N 3 0 237.391 1.250 20 0 BDADRP CC[C@H](CC(C)C)[NH2+][C@@H](C)CN1CC[NH2+]CC1 ZINC001246082704 987376321 /nfs/dbraw/zinc/37/63/21/987376321.db2.gz YAHVGRMAXAJUNA-UONOGXRCSA-N 2 0 241.423 1.694 20 0 BDADRP Cc1cncc(CN[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC001246084345 987380006 /nfs/dbraw/zinc/38/00/06/987380006.db2.gz YOHRQOWEGCPIGN-DGCLKSJQSA-N 2 0 219.332 1.620 20 0 BDADRP CCSC[C@H](C)N[C@@H]1CCCC[NH2+]C1 ZINC001246093937 987382684 /nfs/dbraw/zinc/38/26/84/987382684.db2.gz YSNNAQAXTWWFTA-WDEREUQCSA-N 2 0 216.394 1.860 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N[C@@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC001246089551 987392475 /nfs/dbraw/zinc/39/24/75/987392475.db2.gz GHFZKZPOHATRKE-MJBXVCDLSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H]1CC[C@H](CN[C@H]2CCCC[NH2+]C2)C[NH2+]1 ZINC001246089491 987395366 /nfs/dbraw/zinc/39/53/66/987395366.db2.gz CZWZLKKXQDCGNF-AGIUHOORSA-N 2 0 225.380 1.106 20 0 BDADRP C1C[C@H]2C[C@H](N[C@@H]3CCCC[NH2+]C3)C[C@@H]1[NH2+]2 ZINC001246090915 987396581 /nfs/dbraw/zinc/39/65/81/987396581.db2.gz MTBHUGAUFMMJGZ-YVECIDJPSA-N 2 0 223.364 1.001 20 0 BDADRP CC[C@@H]1CC(N[C@]2(C)CC[NH2+]C2)C[C@@H](CC)[NH2+]1 ZINC001246092034 987397627 /nfs/dbraw/zinc/39/76/27/987397627.db2.gz BPIJZABICUZEKO-YRGRVCCFSA-N 2 0 239.407 1.637 20 0 BDADRP CC[C@@H]1C[C@H](N[C@@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC001246090908 987397998 /nfs/dbraw/zinc/39/79/98/987397998.db2.gz MRPRIELNFOVSNC-JHJVBQTASA-N 2 0 225.380 1.249 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCC[NH2+]CC2)CC[NH2+]1 ZINC001246093858 987400949 /nfs/dbraw/zinc/40/09/49/987400949.db2.gz LFZPYVVNLOGEGO-MGPQQGTHSA-N 3 0 239.407 1.496 20 0 BDADRP C1C[C@@H]2C[C@@H](N[C@H]3CCCC[NH2+]C3)C[C@H](C1)[NH2+]2 ZINC001246093439 987401657 /nfs/dbraw/zinc/40/16/57/987401657.db2.gz WRVVNSWAURSDCL-CRWXNKLISA-N 2 0 237.391 1.391 20 0 BDADRP CC(C)[C@H]1C[C@@H](N[C@H]2CC[NH2+]C[C@@H]2F)CC[NH2+]1 ZINC001246093337 987402534 /nfs/dbraw/zinc/40/25/34/987402534.db2.gz UMFXWCDTTGFRFJ-ZDEQEGDKSA-N 2 0 243.370 1.053 20 0 BDADRP COC1CCC([NH2+]C[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246095574 987404374 /nfs/dbraw/zinc/40/43/74/987404374.db2.gz LGMOGJXLYYQXMD-KBHBFKLGSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCSC2)C[NH2+]1 ZINC001246096936 987407596 /nfs/dbraw/zinc/40/75/96/987407596.db2.gz NREXXPBURSWZDH-OUAUKWLOSA-N 2 0 214.378 1.470 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCCOC2)C[NH2+]1 ZINC001246096880 987408497 /nfs/dbraw/zinc/40/84/97/987408497.db2.gz NGVXFUOHZUNREP-IJLUTSLNSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H]1C[NH2+]C[C@H](C[NH2+]C2CCOCC2)C1 ZINC001246096699 987408689 /nfs/dbraw/zinc/40/86/89/987408689.db2.gz FRIRANIBEQHOEG-GHMZBOCLSA-N 2 0 212.337 1.001 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+][C@H]2CCC3(C[NH2+]C3)C2)C[NH2+]1 ZINC001246097344 987410723 /nfs/dbraw/zinc/41/07/23/987410723.db2.gz NVOUVLZHQXCHNW-UPJWGTAASA-N 3 0 237.391 1.106 20 0 BDADRP C[C@@H]1C[C@@H](N[C@H]2C[NH2+]CC[C@H]2C)C[C@H](C)[NH2+]1 ZINC001246098097 987411942 /nfs/dbraw/zinc/41/19/42/987411942.db2.gz PDVWIGAHNKASIH-LBELIVKGSA-N 2 0 225.380 1.103 20 0 BDADRP CC[C@H]1CC(NCC(C)(C)[NH3+])C[C@H](CC)[NH2+]1 ZINC001246099320 987413756 /nfs/dbraw/zinc/41/37/56/987413756.db2.gz HHFVXUUURJMMFC-QWRGUYRKSA-N 2 0 227.396 1.623 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246098096 987414727 /nfs/dbraw/zinc/41/47/27/987414727.db2.gz PDVWIGAHNKASIH-BLFANLJRSA-N 2 0 225.380 1.103 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](C[NH2+][C@H]2CCSC2)C1 ZINC001246099709 987418329 /nfs/dbraw/zinc/41/83/29/987418329.db2.gz MLJXIBHGBVYXIO-DCAQKATOSA-N 2 0 214.378 1.327 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCCSC2)C[NH2+]1 ZINC001246101100 987423697 /nfs/dbraw/zinc/42/36/97/987423697.db2.gz VEBWYFVMXNENEF-IJLUTSLNSA-N 2 0 228.405 1.860 20 0 BDADRP C(C[NH2+][C@@H]1CCCC[NH2+]C1)CC1CC[NH2+]CC1 ZINC001246103190 987426983 /nfs/dbraw/zinc/42/69/83/987426983.db2.gz GHZRVZDLHBAWNP-CQSZACIVSA-N 3 0 239.407 1.498 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[C@@H](C)C[NH2+]2)C1 ZINC001246103228 987428160 /nfs/dbraw/zinc/42/81/60/987428160.db2.gz GSGOTMNTIBRBPA-ZOBORPQBSA-N 2 0 240.391 1.922 20 0 BDADRP CC[C@@H]1C[C@H](NC[C@@H]2CC[C@@H](C)[NH2+]C2)CC[NH2+]1 ZINC001246102762 987428260 /nfs/dbraw/zinc/42/82/60/987428260.db2.gz WXEXGZILWZRRST-AAVRWANBSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@H]1C[C@@H](NCCCC2CC[NH2+]CC2)C[NH2+]1 ZINC001246102727 987428344 /nfs/dbraw/zinc/42/83/44/987428344.db2.gz DZCDNGSRRWWCMW-WCQYABFASA-N 2 0 225.380 1.106 20 0 BDADRP C[C@@H]1C[C@@H](NCCCC2CC[NH2+]CC2)C[NH2+]1 ZINC001246102726 987429741 /nfs/dbraw/zinc/42/97/41/987429741.db2.gz DZCDNGSRRWWCMW-DGCLKSJQSA-N 2 0 225.380 1.106 20 0 BDADRP COC(=O)CC[C@H](C)[NH2+]C[C@@H]1CCC[NH2+][C@H]1C ZINC001246105444 987432211 /nfs/dbraw/zinc/43/22/11/987432211.db2.gz AZKUYEVEEQCBLT-SRVKXCTJSA-N 2 0 242.363 1.306 20 0 BDADRP CC[C@@H]1C[C@H](NC[C@H]2C[NH2+]C[C@H](C)C2)CC[NH2+]1 ZINC001246106326 987432272 /nfs/dbraw/zinc/43/22/72/987432272.db2.gz XGSWJIBLBCQUHB-AAVRWANBSA-N 2 0 239.407 1.352 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246108052 987437635 /nfs/dbraw/zinc/43/76/35/987437635.db2.gz BVLBOLLZIJCMSK-POQQGIQPSA-N 2 0 237.391 1.105 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC3(C[NH2+]C3)C2)[NH2+]C1 ZINC001246107331 987438401 /nfs/dbraw/zinc/43/84/01/987438401.db2.gz FWLDQVQUIJPMEV-JHJVBQTASA-N 3 0 237.391 1.106 20 0 BDADRP C[C@@H]1CC[C@H](CN[C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)[NH2+]C1 ZINC001246110429 987442322 /nfs/dbraw/zinc/44/23/22/987442322.db2.gz IJSHOOPATNJRND-RKQHYHRCSA-N 2 0 239.407 1.493 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[NH2+]CC[C@H]2C)CN1 ZINC001246113369 987449004 /nfs/dbraw/zinc/44/90/04/987449004.db2.gz SWFWNAUWNAXDKC-SYQHCUMBSA-N 2 0 239.407 1.352 20 0 BDADRP CCCC[C@H]1C[C@@H](N[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246113712 987449728 /nfs/dbraw/zinc/44/97/28/987449728.db2.gz ZDHMYRXJONHBJC-MELADBBJSA-N 2 0 239.407 1.639 20 0 BDADRP C[C@@H]1CC(NC[C@@H]2CCC[NH2+][C@H]2C)C[C@@H](C)[NH2+]1 ZINC001246113854 987451179 /nfs/dbraw/zinc/45/11/79/987451179.db2.gz ULSVEWNHRQOSJC-NDBYEHHHSA-N 2 0 239.407 1.493 20 0 BDADRP C[C@@H]1C[C@H](NC[C@]2(F)CCCC[NH2+]C2)CC[NH2+]1 ZINC001246114547 987454473 /nfs/dbraw/zinc/45/44/73/987454473.db2.gz PXNWIOSHPIESOY-UPJWGTAASA-N 2 0 243.370 1.198 20 0 BDADRP C[C@@H]1CC[C@H](CN[C@@H]2CCC[N@H+](C)CC2)[NH2+]C1 ZINC001246115628 987454798 /nfs/dbraw/zinc/45/47/98/987454798.db2.gz RRBZKYGNFZUMRG-MGPQQGTHSA-N 2 0 239.407 1.448 20 0 BDADRP C(N[C@@H]1CCCC[NH2+]C1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC001246125271 987473561 /nfs/dbraw/zinc/47/35/61/987473561.db2.gz DYGJQAUACCJNBQ-BFHYXJOUSA-N 2 0 237.391 1.108 20 0 BDADRP CC[C@@H]1C[C@@H](N[C@H]2C[NH2+]C[C@H]2F)C[C@H](CC)[NH2+]1 ZINC001246126106 987474088 /nfs/dbraw/zinc/47/40/88/987474088.db2.gz KTIOWIOBGXWNAG-MLGHIDQZSA-N 2 0 243.370 1.195 20 0 BDADRP CC(C)(C)[C@H]1C[C@H](NC2(C)C[NH2+]C2)CC[NH2+]1 ZINC001246125149 987474480 /nfs/dbraw/zinc/47/44/80/987474480.db2.gz YGCJTLOLVNMKRK-GHMZBOCLSA-N 2 0 225.380 1.105 20 0 BDADRP C1C[NH2+]C[C@@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC001246130085 987476594 /nfs/dbraw/zinc/47/65/94/987476594.db2.gz RSNPPPVWIQCOTA-RNJOBUHISA-N 2 0 223.364 1.001 20 0 BDADRP CC1(N[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C[NH2+]C1 ZINC001246127730 987478792 /nfs/dbraw/zinc/47/87/92/987478792.db2.gz MXFXUYZCVVKRFY-ZIAGYGMSSA-N 2 0 245.370 1.431 20 0 BDADRP C[C@@H]1C[C@@H](N[C@@]23CCC[C@@H]2[NH2+]CC3)CC[NH2+]1 ZINC001246136502 987493555 /nfs/dbraw/zinc/49/35/55/987493555.db2.gz RYQRYPMMBBCOCL-MROQNXINSA-N 2 0 223.364 1.001 20 0 BDADRP CC(C)CCC[C@H](C)[NH2+][C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001246139687 987500188 /nfs/dbraw/zinc/50/01/88/987500188.db2.gz VQOAZEABGWYCGE-REWJHTLYSA-N 2 0 240.391 1.778 20 0 BDADRP C1[NH2+]C[C@H]2CCC[C@@H](N[C@H]3CCCC[NH2+]C3)[C@@H]12 ZINC001246142921 987500704 /nfs/dbraw/zinc/50/07/04/987500704.db2.gz CLCDTOXEMKPITM-ZOBORPQBSA-N 2 0 237.391 1.106 20 0 BDADRP C[NH2+]CC[C@@H](C)N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001246144272 987501860 /nfs/dbraw/zinc/50/18/60/987501860.db2.gz SQXQMIMYCZJRIP-YUELXQCFSA-N 2 0 247.386 1.677 20 0 BDADRP C[C@H]1C[C@H]([NH2+][C@H]2CO[C@@H]3C[NH2+]C[C@H]23)C[C@@H](C)C1 ZINC001246145472 987503751 /nfs/dbraw/zinc/50/37/51/987503751.db2.gz CLEYYNCKUVHZMG-GUDWOMEESA-N 2 0 238.375 1.388 20 0 BDADRP CCCC[C@H]1C[C@H](N[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC001246147121 987504036 /nfs/dbraw/zinc/50/40/36/987504036.db2.gz JJAXGCRBWJQIOM-YNEHKIRRSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@@H]1CC[C@@H](N[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)C[NH2+]1 ZINC001246148801 987509387 /nfs/dbraw/zinc/50/93/87/987509387.db2.gz RZACTNKJUFWWAU-XGFWRYKXSA-N 2 0 237.391 1.105 20 0 BDADRP CCC[NH+](CCC)CCN[C@@H]1CCCC[NH2+]C1 ZINC001246162289 987523340 /nfs/dbraw/zinc/52/33/40/987523340.db2.gz NMLNVWPJZWWCOW-CQSZACIVSA-N 2 0 241.423 1.840 20 0 BDADRP CCCC[N@H+](CC)CCN[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246162769 987528171 /nfs/dbraw/zinc/52/81/71/987528171.db2.gz SDJOZPSNNAYUQE-KBPBESRZSA-N 2 0 241.423 1.839 20 0 BDADRP C[C@@H]1CC(NC[C@H]2CCCC[NH2+]2)C[C@@H](C)[NH2+]1 ZINC001246167975 987532991 /nfs/dbraw/zinc/53/29/91/987532991.db2.gz HGKXAYNSUWIMAD-IJLUTSLNSA-N 2 0 225.380 1.247 20 0 BDADRP c1ccc(C[NH2+]CCNC2CC[NH2+]CC2)cc1 ZINC001246168608 987535304 /nfs/dbraw/zinc/53/53/04/987535304.db2.gz YIEJCKNMCJHULJ-UHFFFAOYSA-N 2 0 233.359 1.118 20 0 BDADRP CC(C)[C@@H]1C[C@@H](NC[C@@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001246171016 987535316 /nfs/dbraw/zinc/53/53/16/987535316.db2.gz VPQRERAYULSEQX-IHRRRGAJSA-N 2 0 239.407 1.495 20 0 BDADRP CC1(C)C[C@@H](NC[C@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001246172210 987538459 /nfs/dbraw/zinc/53/84/59/987538459.db2.gz ZWJNYRLQTRVGLR-NWDGAFQWSA-N 2 0 225.380 1.249 20 0 BDADRP C[NH2+]CC[C@H](C)NCC[NH2+]Cc1ccccc1 ZINC001246172676 987538772 /nfs/dbraw/zinc/53/87/72/987538772.db2.gz WCZRRKYXMQSLJE-ZDUSSCGKSA-N 2 0 235.375 1.364 20 0 BDADRP CC1(C)C[C@H](NC[C@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001246172214 987540486 /nfs/dbraw/zinc/54/04/86/987540486.db2.gz ZWJNYRLQTRVGLR-VXGBXAGGSA-N 2 0 225.380 1.249 20 0 BDADRP CC[C@@H]1C[C@@H](NC[C@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001246172125 987540527 /nfs/dbraw/zinc/54/05/27/987540527.db2.gz ZOBLTYPNMXTAHL-FRRDWIJNSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)CN1 ZINC001246177206 987548761 /nfs/dbraw/zinc/54/87/61/987548761.db2.gz RTKCWCWDZAKHLI-MGPQQGTHSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]1CC[C@@H](N[C@@H]2CCCC[C@@H]2O)C[NH2+]1 ZINC001246186185 987568171 /nfs/dbraw/zinc/56/81/71/987568171.db2.gz GEPYCCGYJNPTOE-KKOKHZNYSA-N 2 0 212.337 1.020 20 0 BDADRP CC(C)[C@@H]1C[C@@H](NC[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC001246187234 987568199 /nfs/dbraw/zinc/56/81/99/987568199.db2.gz MZJHRPDVJAFKDA-XQQFMLRXSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1CC[C@H](n2ccc3cc(C[NH3+])cnc32)C[NH2+]1 ZINC001246189628 987571092 /nfs/dbraw/zinc/57/10/92/987571092.db2.gz OLIRJUVDLYMRFS-MFKMUULPSA-N 2 0 244.342 1.808 20 0 BDADRP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2O)CC[NH2+]1 ZINC001246187974 987571536 /nfs/dbraw/zinc/57/15/36/987571536.db2.gz RSDLDCLGUIFKNF-YFKTTZPYSA-N 2 0 212.337 1.020 20 0 BDADRP CCCC[C@H]1C[C@@H](NC[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC001246190776 987581004 /nfs/dbraw/zinc/58/10/04/987581004.db2.gz MQMKGKSHLDHIQY-IHRRRGAJSA-N 2 0 239.407 1.639 20 0 BDADRP CC1CC(C[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)C1 ZINC001473843381 987583842 /nfs/dbraw/zinc/58/38/42/987583842.db2.gz CBQNWPRREPECJA-PQAZSJQKSA-N 2 0 222.376 1.916 20 0 BDADRP CCOC(=O)C[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC001246194030 987586885 /nfs/dbraw/zinc/58/68/85/987586885.db2.gz QBTJGLFBYJZIPI-OUAUKWLOSA-N 2 0 228.336 1.058 20 0 BDADRP [NH3+]Cc1nn([C@H]2CCC[NH2+]C2)c2ccccc12 ZINC001246197785 987591494 /nfs/dbraw/zinc/59/14/94/987591494.db2.gz AOOODVVQOTYYEJ-JTQLQIEISA-N 2 0 230.315 1.420 20 0 BDADRP Cc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)n1C ZINC001246199363 987595993 /nfs/dbraw/zinc/59/59/93/987595993.db2.gz VULJQFCRZHULTI-PWSUYJOCSA-N 2 0 221.348 1.564 20 0 BDADRP C[N@@H+]1CCC[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001246204690 987600251 /nfs/dbraw/zinc/60/02/51/987600251.db2.gz KPLYMHLQZRLPHN-FRRDWIJNSA-N 3 0 225.380 1.330 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC[C@H]2CC[C@@H]([NH3+])CC2)CC[NH2+]1 ZINC001246202085 987600855 /nfs/dbraw/zinc/60/08/55/987600855.db2.gz MNPKQCOQGUBJDS-IGQOVBAYSA-N 3 0 239.407 1.624 20 0 BDADRP C[C@H](N[C@@H]1CC[NH2+][C@H](C)C1)c1cncnc1 ZINC001246228548 987624727 /nfs/dbraw/zinc/62/47/27/987624727.db2.gz ILWGIRLOCAQODY-JFGNBEQYSA-N 2 0 220.320 1.268 20 0 BDADRP C[C@H]1CC[C@H](n2cnc3ccc(C[NH3+])cc32)C[NH2+]1 ZINC001246228065 987625248 /nfs/dbraw/zinc/62/52/48/987625248.db2.gz DDDFKSBWHVPSCH-JQWIXIFHSA-N 2 0 244.342 1.808 20 0 BDADRP C[C@H]1CC[C@H](NCCOc2cccnc2)C[NH2+]1 ZINC001246229924 987626111 /nfs/dbraw/zinc/62/61/11/987626111.db2.gz LZIBUIUGMUQSAV-RYUDHWBXSA-N 2 0 235.331 1.191 20 0 BDADRP C[C@H]1C[C@@H](n2cnc3ccc(C[NH3+])cc32)CC[NH2+]1 ZINC001246231937 987628404 /nfs/dbraw/zinc/62/84/04/987628404.db2.gz VIUDJHJPVZRUFT-JQWIXIFHSA-N 2 0 244.342 1.808 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCOc2cccnc2)CC[NH2+]1 ZINC001246232862 987628907 /nfs/dbraw/zinc/62/89/07/987628907.db2.gz SGHPWVSVQYDBLD-VXGBXAGGSA-N 2 0 235.331 1.191 20 0 BDADRP CCC1(N[C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[NH2+]C1 ZINC001246233850 987631118 /nfs/dbraw/zinc/63/11/18/987631118.db2.gz FQBHXNPHNGNCDZ-GDNZZTSVSA-N 2 0 223.364 1.001 20 0 BDADRP C[C@@H]1CC[C@@H](N(C(N)=[NH2+])c2ccccc2)C[NH2+]1 ZINC001246234518 987632818 /nfs/dbraw/zinc/63/28/18/987632818.db2.gz ILFVZPHGBOQMLS-ZYHUDNBSSA-N 2 0 232.331 1.527 20 0 BDADRP C[C@H](Cc1cnccn1)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC001246237419 987635072 /nfs/dbraw/zinc/63/50/72/987635072.db2.gz OBGJRXFAVAZWLN-IJLUTSLNSA-N 2 0 234.347 1.138 20 0 BDADRP CCCC[C@H]1C[C@@H](N[C@@H]2CC[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246236482 987635254 /nfs/dbraw/zinc/63/52/54/987635254.db2.gz LFLJSVXCGUNDHM-FQUUOJAGSA-N 2 0 239.407 1.767 20 0 BDADRP CC1(C)C[C@H](NCC[C@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001246247276 987647697 /nfs/dbraw/zinc/64/76/97/987647697.db2.gz SUPGLLPWOLMQMG-CHWSQXEVSA-N 2 0 239.407 1.639 20 0 BDADRP CCn1ccc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)n1 ZINC001474167615 987652138 /nfs/dbraw/zinc/65/21/38/987652138.db2.gz NONBFSBDNZAMER-SNVBAGLBSA-N 2 0 245.330 1.273 20 0 BDADRP Cc1ccnc(CC[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC001246255131 987653111 /nfs/dbraw/zinc/65/31/11/987653111.db2.gz KJCJQBDDQBBLTP-JSGCOSHPSA-N 2 0 233.359 1.663 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C23CCC(O)(CC2)CC3)CC[NH2+]1 ZINC001246262176 987655771 /nfs/dbraw/zinc/65/57/71/987655771.db2.gz APUMJRQIOARDFQ-IWMBGFJWSA-N 2 0 238.375 1.554 20 0 BDADRP CCCC[C@@H]1C[C@H](NCC[NH2+]CC)CC[NH2+]1 ZINC001246275257 987668799 /nfs/dbraw/zinc/66/87/99/987668799.db2.gz QNIBORGOLMZRFN-CHWSQXEVSA-N 2 0 227.396 1.496 20 0 BDADRP C(CC[NH2+][C@@H]1CCCNC1)CC[NH+]1CCCC1 ZINC001246273792 987670460 /nfs/dbraw/zinc/67/04/60/987670460.db2.gz VZIBKNJTVKNZCE-CQSZACIVSA-N 2 0 239.407 1.594 20 0 BDADRP CCCC[C@H]1C[C@H](N[C@H]2CC[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246278654 987672282 /nfs/dbraw/zinc/67/22/82/987672282.db2.gz LFLJSVXCGUNDHM-XDQVBPFNSA-N 2 0 239.407 1.767 20 0 BDADRP C[NH2+]CC[C@H](C)NC[C@H]([NH3+])c1ccccc1 ZINC001246280762 987674922 /nfs/dbraw/zinc/67/49/22/987674922.db2.gz WJCJWGJGOMGJDS-AAEUAGOBSA-N 2 0 221.348 1.274 20 0 BDADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246283017 987679233 /nfs/dbraw/zinc/67/92/33/987679233.db2.gz YDLHFUPTYDIEFY-WISYIIOYSA-N 2 0 240.347 1.058 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCCC(C)(C)O)CC[NH2+]1 ZINC001246299087 987694982 /nfs/dbraw/zinc/69/49/82/987694982.db2.gz FCBQAJQZLDWGSW-QWRGUYRKSA-N 2 0 214.353 1.268 20 0 BDADRP CCCC[C@@H]1C[C@@H](NCC[C@H](C)[NH3+])CC[NH2+]1 ZINC001246303350 987700643 /nfs/dbraw/zinc/70/06/43/987700643.db2.gz HNPSPSMMJSMMAP-XQQFMLRXSA-N 2 0 227.396 1.624 20 0 BDADRP CC[C@H]1C[C@@H]([NH2+]CC[C@H](C)[NH3+])CCO1 ZINC001246302695 987702298 /nfs/dbraw/zinc/70/22/98/987702298.db2.gz ADYUMBYCWZMZBG-DCAQKATOSA-N 2 0 200.326 1.271 20 0 BDADRP CCOC(=O)[C@H]1CC[C@H]([NH2+]CC[C@H](C)[NH3+])C1 ZINC001246304875 987705349 /nfs/dbraw/zinc/70/53/49/987705349.db2.gz MSGQHABWXBBAKE-DCAQKATOSA-N 2 0 228.336 1.045 20 0 BDADRP C[C@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)c1ccoc1 ZINC001246307642 987707744 /nfs/dbraw/zinc/70/77/44/987707744.db2.gz ZZQJLYIRIPQVKE-JQWIXIFHSA-N 2 0 235.331 1.024 20 0 BDADRP CCCC[C@@H]1C[C@@H](NC[C@@H]([NH3+])CC)CC[NH2+]1 ZINC001246312069 987710610 /nfs/dbraw/zinc/71/06/10/987710610.db2.gz FKEUQDPEUXQHOB-XQQFMLRXSA-N 2 0 227.396 1.624 20 0 BDADRP CCOC(=O)CCC[C@H](C)[NH2+]C[C@H]([NH3+])CC ZINC001246310968 987713304 /nfs/dbraw/zinc/71/33/04/987713304.db2.gz BCDMFTSMRZRGHG-WDEREUQCSA-N 2 0 230.352 1.435 20 0 BDADRP CC[C@@H]([NH3+])CNC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001246311493 987713815 /nfs/dbraw/zinc/71/38/15/987713815.db2.gz DTUGSCGWOMAUTP-LLVKDONJSA-N 2 0 241.423 1.965 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@H](C)CCC[NH+](CC)CC ZINC001246312129 987716260 /nfs/dbraw/zinc/71/62/60/987716260.db2.gz GCLHASVIBJDRNQ-CHWSQXEVSA-N 3 0 229.412 1.824 20 0 BDADRP CC[C@H](C[NH3+])N[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246319894 987724596 /nfs/dbraw/zinc/72/45/96/987724596.db2.gz WFPCWHUGUHPLDI-UTUOFQBUSA-N 2 0 227.396 1.480 20 0 BDADRP CC[C@H](C[NH3+])N[C@@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246317505 987724747 /nfs/dbraw/zinc/72/47/47/987724747.db2.gz MFTKROFMRXLCJF-YVECIDJPSA-N 2 0 227.396 1.623 20 0 BDADRP C[C@H]1CC[C@@H](n2cnc3cccc(C[NH3+])c32)C[NH2+]1 ZINC001246320178 987725556 /nfs/dbraw/zinc/72/55/56/987725556.db2.gz HPORNTKXPMWFPS-CMPLNLGQSA-N 2 0 244.342 1.808 20 0 BDADRP CC(C)[C@H]1C[C@H](N[C@H]2CCC[NH2+][C@@H]2C)CC[NH2+]1 ZINC001246322583 987728003 /nfs/dbraw/zinc/72/80/03/987728003.db2.gz BBFHFFXUEFWZJC-YIYPIFLZSA-N 2 0 239.407 1.493 20 0 BDADRP C[C@@H]1CC[C@@H](Nc2cccnc2C[NH3+])C[NH2+]1 ZINC001246325750 987730283 /nfs/dbraw/zinc/73/02/83/987730283.db2.gz JILIYZBNOQZPNC-NXEZZACHSA-N 2 0 220.320 1.093 20 0 BDADRP C[C@H]1C[C@H](Nc2ccc(C[NH3+])nc2)CC[NH2+]1 ZINC001246327058 987731495 /nfs/dbraw/zinc/73/14/95/987731495.db2.gz RANGECWUIRQMDC-VHSXEESVSA-N 2 0 220.320 1.093 20 0 BDADRP C[NH2+]Cc1cccc(CN[C@@H]2C[NH2+][C@@H](C)C2)c1 ZINC001246324253 987731791 /nfs/dbraw/zinc/73/17/91/987731791.db2.gz KDUGDDJSFVPWMF-FZMZJTMJSA-N 2 0 233.359 1.246 20 0 BDADRP FC1(F)CC2(CC([NH2+]C3CC[NH2+]CC3)C2)C1 ZINC001246331626 987738222 /nfs/dbraw/zinc/73/82/22/987738222.db2.gz DQFJDQOYHHYBPF-UHFFFAOYSA-N 2 0 230.302 1.906 20 0 BDADRP CC[C@@H]1C[C@@H](NC[C@H]([NH3+])C(C)C)C[C@H](CC)[NH2+]1 ZINC001246332534 987739185 /nfs/dbraw/zinc/73/91/85/987739185.db2.gz NBFDPXSOOFQBIB-CRWXNKLISA-N 2 0 241.423 1.869 20 0 BDADRP CC(C)[C@@H]1C[C@H](N[C@H]2C[NH2+]CC[C@@H]2C)CC[NH2+]1 ZINC001246332715 987740309 /nfs/dbraw/zinc/74/03/09/987740309.db2.gz SPTMQABKVNIHCT-CRWXNKLISA-N 2 0 239.407 1.351 20 0 BDADRP C[C@@H]1CC[C@H](N[C@H]2C[NH2+]CCC2(C)C)C[NH2+]1 ZINC001246334024 987740884 /nfs/dbraw/zinc/74/08/84/987740884.db2.gz WTEUTYYPAHUHKC-WOPDTQHZSA-N 2 0 225.380 1.105 20 0 BDADRP C1[C@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C12CCCC2 ZINC001246334711 987742606 /nfs/dbraw/zinc/74/26/06/987742606.db2.gz PIJZAPYXRVTXHI-RYUDHWBXSA-N 2 0 235.375 1.003 20 0 BDADRP C[C@H]1C[C@@H](NC(C)(C)C(C)(C)[NH3+])CC[NH2+]1 ZINC001246336017 987744938 /nfs/dbraw/zinc/74/49/38/987744938.db2.gz NKRBZNOSNLKCRI-UWVGGRQHSA-N 2 0 213.369 1.232 20 0 BDADRP C[C@@H]1C[C@@H](N[C@@H](C[NH3+])C(C)(C)C)CC[NH2+]1 ZINC001246343727 987753671 /nfs/dbraw/zinc/75/36/71/987753671.db2.gz HMJHSPVVIXUUNQ-VWYCJHECSA-N 2 0 213.369 1.090 20 0 BDADRP Nc1cccc(CCC[NH2+][C@H]2CCCNC2)c1 ZINC001246348231 987755209 /nfs/dbraw/zinc/75/52/09/987755209.db2.gz ISPCRUVTSCFGII-AWEZNQCLSA-N 2 0 233.359 1.543 20 0 BDADRP CN1CCC[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C1 ZINC001474570882 987765960 /nfs/dbraw/zinc/76/59/60/987765960.db2.gz AVNCKIKUOWQGOE-CYBMUJFWSA-N 2 0 244.342 1.518 20 0 BDADRP C[C@@H]1CC[C@@H](n2c(C[NH3+])cc3ccncc32)C[NH2+]1 ZINC001246362514 987766588 /nfs/dbraw/zinc/76/65/88/987766588.db2.gz MQQLKIJEJLBNQU-ZYHUDNBSSA-N 2 0 244.342 1.808 20 0 BDADRP CC[C@@H]1C[C@H](NC2(C[NH3+])CCC2)C[C@H](CC)[NH2+]1 ZINC001246358005 987766711 /nfs/dbraw/zinc/76/67/11/987766711.db2.gz XYFNFJXOBFBDLM-ITGUQSILSA-N 2 0 239.407 1.767 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](N[C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246362403 987767543 /nfs/dbraw/zinc/76/75/43/987767543.db2.gz OXZCZHLZYHMZTH-XQQFMLRXSA-N 2 0 225.380 1.199 20 0 BDADRP C1CC2(C1)CC([NH2+][C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246375197 987774758 /nfs/dbraw/zinc/77/47/58/987774758.db2.gz WTLBXSNFZBPMHN-LLVKDONJSA-N 2 0 235.375 1.003 20 0 BDADRP C1CC2(C1)CC([NH2+][C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246375198 987777426 /nfs/dbraw/zinc/77/74/26/987777426.db2.gz WTLBXSNFZBPMHN-NSHDSACASA-N 2 0 235.375 1.003 20 0 BDADRP CC(C)C[C@H](C)C[C@@H](C)[NH2+]CCNCC[NH3+] ZINC001246407253 987788594 /nfs/dbraw/zinc/78/85/94/987788594.db2.gz XRUJKLFLXTVAJL-QWHCGFSZSA-N 2 0 229.412 1.585 20 0 BDADRP CC(C)(CC1CC1)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246394742 987785034 /nfs/dbraw/zinc/78/50/34/987785034.db2.gz UITVBANWRLEPLQ-GFCCVEGCSA-N 2 0 237.391 1.249 20 0 BDADRP CCC[C@H](C)CC[C@@H](C)[NH2+]CCNCC[NH3+] ZINC001246406284 987786310 /nfs/dbraw/zinc/78/63/10/987786310.db2.gz SVDFOINELWDZNR-QWHCGFSZSA-N 2 0 229.412 1.729 20 0 BDADRP CCCC1CCC([NH2+]CCNCC[NH3+])CC1 ZINC001246407716 987787705 /nfs/dbraw/zinc/78/77/05/987787705.db2.gz YRWLLTMLPORULE-UHFFFAOYSA-N 2 0 227.396 1.483 20 0 BDADRP CC(C)C[C@H](C)C[C@H](C)[NH2+]CCNCC[NH3+] ZINC001246407254 987787921 /nfs/dbraw/zinc/78/79/21/987787921.db2.gz XRUJKLFLXTVAJL-STQMWFEESA-N 2 0 229.412 1.585 20 0 BDADRP CCCC(CCC)[NH2+]CCCC[C@H]([NH3+])C(N)=O ZINC001246418762 987790617 /nfs/dbraw/zinc/79/06/17/987790617.db2.gz SUOKJDJHGOIVOY-LBPRGKRZSA-N 2 0 243.395 1.528 20 0 BDADRP CC1CCC([NH2+]CCCC[C@H]([NH3+])C(N)=O)CC1 ZINC001246417668 987791809 /nfs/dbraw/zinc/79/18/09/987791809.db2.gz OCZUFYJYFSZWQV-MCIGGMRASA-N 2 0 241.379 1.138 20 0 BDADRP CCC[C@@H](CC)[NH2+]CCCC[C@H]([NH3+])C(N)=O ZINC001246419374 987793534 /nfs/dbraw/zinc/79/35/34/987793534.db2.gz UOAYJRAMVNCIFE-MNOVXSKESA-N 2 0 229.368 1.138 20 0 BDADRP C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC12C[NH2+]C2 ZINC001246442840 987796088 /nfs/dbraw/zinc/79/60/88/987796088.db2.gz FBEBONDSKPVAJP-MFKMUULPSA-N 2 0 234.318 1.708 20 0 BDADRP C[C@@H](Cc1cccc(F)c1)[NH2+][C@@H]1CC12C[NH2+]C2 ZINC001246445101 987799844 /nfs/dbraw/zinc/79/98/44/987799844.db2.gz MKKWOSAMNLYNLJ-GXFFZTMASA-N 2 0 234.318 1.708 20 0 BDADRP CC[C@@H]1C[C@H](N[C@@H]2CC23C[NH2+]C3)C[C@H](CC)[NH2+]1 ZINC001246444251 987801793 /nfs/dbraw/zinc/80/17/93/987801793.db2.gz JDLJVLVQOWGSMX-MROQNXINSA-N 2 0 237.391 1.247 20 0 BDADRP CC[C@@H]1C[C@@H](N[C@@H]2CC23C[NH2+]C3)C[C@H](CC)[NH2+]1 ZINC001246444255 987802417 /nfs/dbraw/zinc/80/24/17/987802417.db2.gz JDLJVLVQOWGSMX-YVECIDJPSA-N 2 0 237.391 1.247 20 0 BDADRP CC(C)OCC[C@H](C)[NH2+][C@@H]1CC12C[NH2+]C2 ZINC001246444697 987802838 /nfs/dbraw/zinc/80/28/38/987802838.db2.gz KUFWNIUDQNPVFQ-WDEREUQCSA-N 2 0 212.337 1.142 20 0 BDADRP COc1ccccc1C[C@@H](C)[NH2+][C@@H]1CC12C[NH2+]C2 ZINC001246446857 987805480 /nfs/dbraw/zinc/80/54/80/987805480.db2.gz ULYKQLFWYIWGSK-BXUZGUMPSA-N 2 0 246.354 1.578 20 0 BDADRP CC1(C)CCC[C@H]([NH2+][C@@H]2CC23C[NH2+]C3)C1 ZINC001246448483 987806393 /nfs/dbraw/zinc/80/63/93/987806393.db2.gz YUIWRLJOLUWKOQ-WDEREUQCSA-N 2 0 208.349 1.907 20 0 BDADRP CCCC[C@@H]1C[C@H](N[C@@H]2CC23C[NH2+]C3)CC[NH2+]1 ZINC001246446666 987807364 /nfs/dbraw/zinc/80/73/64/987807364.db2.gz SSRLKUAGJWBDNT-JHJVBQTASA-N 2 0 237.391 1.249 20 0 BDADRP CCCC[C@H](CC)[NH2+]CCCNCCC[NH3+] ZINC001246453869 987809240 /nfs/dbraw/zinc/80/92/40/987809240.db2.gz QNONZZBQGNXFCD-ZDUSSCGKSA-N 2 0 229.412 1.873 20 0 BDADRP CCSC[C@@H](C)[NH2+]CCC[NH2+]CCCC[NH3+] ZINC001246454950 987809719 /nfs/dbraw/zinc/80/97/19/987809719.db2.gz BOCGQJNQEPOUAX-GFCCVEGCSA-N 3 0 247.452 1.436 20 0 BDADRP CC[C@H]1CC[C@@H]([NH2+]CCCNCCC[NH3+])C1 ZINC001246453906 987810365 /nfs/dbraw/zinc/81/03/65/987810365.db2.gz RAIUOWJQYSMBTL-QWHCGFSZSA-N 2 0 227.396 1.483 20 0 BDADRP CC(C)[NH2+]CC[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246453349 987810640 /nfs/dbraw/zinc/81/06/40/987810640.db2.gz NMMRDHXTYNRYDN-ZDUSSCGKSA-N 3 0 239.407 1.496 20 0 BDADRP CCC[C@H](CC)[NH2+]CCCNCCC[NH3+] ZINC001246456101 987812126 /nfs/dbraw/zinc/81/21/26/987812126.db2.gz YWMVVKSRVUZMOL-LBPRGKRZSA-N 2 0 215.385 1.483 20 0 BDADRP CCC[C@@H](C)[NH2+]CCC[NH2+]CCCC[NH3+] ZINC001246455850 987812321 /nfs/dbraw/zinc/81/23/21/987812321.db2.gz GTWLKOMFFXLTKY-GFCCVEGCSA-N 3 0 215.385 1.483 20 0 BDADRP CC[C@@]1(CN[C@@H](C)CC[NH2+]C)CCC[NH2+]1 ZINC001246456910 987813296 /nfs/dbraw/zinc/81/32/96/987813296.db2.gz PRIAJCRFYJPLSE-RYUDHWBXSA-N 2 0 213.369 1.106 20 0 BDADRP C[C@H](CC1CC1)[NH2+]CCC[NH2+]CCCC[NH3+] ZINC001246458915 987815304 /nfs/dbraw/zinc/81/53/04/987815304.db2.gz WPSKPHFBYKQLGU-GFCCVEGCSA-N 3 0 227.396 1.483 20 0 BDADRP CC[C@@H]1CC(N[C@H]2C[C@H]([NH2+]C)C2)C[C@@H](CC)[NH2+]1 ZINC001246462982 987822959 /nfs/dbraw/zinc/82/29/59/987822959.db2.gz UEYJACIKKFGOKB-HKUMRIAESA-N 3 0 239.407 1.636 20 0 BDADRP Nc1cccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001246466142 987825494 /nfs/dbraw/zinc/82/54/94/987825494.db2.gz MQWZLRYFIHSQME-YIONKMFJSA-N 2 0 245.370 1.684 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2COc3cnccc32)CC[NH2+]1 ZINC001246471083 987828830 /nfs/dbraw/zinc/82/88/30/987828830.db2.gz PYSXWBULAFYGFL-WOPDTQHZSA-N 2 0 247.342 1.288 20 0 BDADRP F[C@H]1C[NH2+]CC[C@H]1C[NH2+][C@@H]1CCSC1 ZINC001246475426 987830736 /nfs/dbraw/zinc/83/07/36/987830736.db2.gz FMZPMVGFCMZVRP-AEJSXWLSSA-N 2 0 218.341 1.029 20 0 BDADRP CC(C)[C@H]1C[C@@H](N[C@H]2CCCC[C@H]2[NH3+])CC[NH2+]1 ZINC001246478035 987834411 /nfs/dbraw/zinc/83/44/11/987834411.db2.gz MOKKEHHXEVMFMS-RFQIPJPRSA-N 2 0 239.407 1.623 20 0 BDADRP C[C@@H](CC1CC1)[NH2+]C[C@@H]1CC[NH2+]C[C@@H]1F ZINC001246478192 987835884 /nfs/dbraw/zinc/83/58/84/987835884.db2.gz UPGFFQLTGDZNRO-DLOVCJGASA-N 2 0 214.328 1.712 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC[C@H]2[NH3+])CCO1 ZINC001246479881 987837038 /nfs/dbraw/zinc/83/70/38/987837038.db2.gz VQJFCBHBIZSYDV-KXNHARMFSA-N 2 0 212.337 1.413 20 0 BDADRP C[C@H]1CC(N[C@H]2CCCC[C@H]2[NH3+])C[C@H](C)[NH2+]1 ZINC001246479395 987837140 /nfs/dbraw/zinc/83/71/40/987837140.db2.gz UZJFYSJIMCXFFD-DJIHRAIXSA-N 2 0 225.380 1.375 20 0 BDADRP [NH3+][C@@H]1CCCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246480264 987837146 /nfs/dbraw/zinc/83/71/46/987837146.db2.gz YEFQTCNDCNSVGX-ITGHMWBKSA-N 2 0 237.391 1.519 20 0 BDADRP C[C@@H]1CC([NH2+][C@H]2CCCC[C@H]2[NH3+])C[C@@H](C)O1 ZINC001246480507 987838471 /nfs/dbraw/zinc/83/84/71/987838471.db2.gz ZMUQVPVEIZUOEL-WFFHOREQSA-N 2 0 226.364 1.802 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCc2ccc(C[NH3+])cc2)CC[NH2+]1 ZINC001246482716 987841407 /nfs/dbraw/zinc/84/14/07/987841407.db2.gz IHSPDFSRKVRREO-WFASDCNBSA-N 3 0 247.386 1.418 20 0 BDADRP CC[C@H]1CC(N[C@H]2C[C@@H]([NH2+]C)C2)C[C@H](CC)[NH2+]1 ZINC001246498133 987853528 /nfs/dbraw/zinc/85/35/28/987853528.db2.gz UEYJACIKKFGOKB-ZJQBRPOHSA-N 2 0 239.407 1.636 20 0 BDADRP NC[C@@H]([NH2+][C@H]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC001246508279 987863546 /nfs/dbraw/zinc/86/35/46/987863546.db2.gz UBVPPTNSDVSDQS-LXTVHRRPSA-N 2 0 245.370 1.274 20 0 BDADRP C[NH2+]CCN(C)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246523100 987871863 /nfs/dbraw/zinc/87/18/63/987871863.db2.gz MFYOWHVIWIIVQT-LBPRGKRZSA-N 2 0 225.380 1.060 20 0 BDADRP C[NH2+]CC[C@H](C)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001246521897 987872102 /nfs/dbraw/zinc/87/21/02/987872102.db2.gz GTAADMCWZARFEB-ZDUSSCGKSA-N 3 0 239.407 1.450 20 0 BDADRP CCCC[C@@H]1C[C@H](N2CC[NH2+]CC2)CC[NH2+]1 ZINC001246522778 987872814 /nfs/dbraw/zinc/87/28/14/987872814.db2.gz BZESUTQFLKUMRY-CHWSQXEVSA-N 2 0 225.380 1.202 20 0 BDADRP CC(C)(C)[C@@H]1C[C@H](N2C[C@@H](F)[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246525719 987875990 /nfs/dbraw/zinc/87/59/90/987875990.db2.gz KQFJLYIMQIDVML-WYUUTHIRSA-N 2 0 243.370 1.134 20 0 BDADRP C[C@H](Cc1ccncc1)N1CC[C@@](C)([NH3+])C1 ZINC001246529517 987885439 /nfs/dbraw/zinc/88/54/39/987885439.db2.gz KVZREFNISSOBBG-DGCLKSJQSA-N 2 0 219.332 1.436 20 0 BDADRP CCC[N@H+](CCOC)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246530932 987886556 /nfs/dbraw/zinc/88/65/56/987886556.db2.gz QKQLHFKBUFGZPQ-VXGBXAGGSA-N 2 0 214.353 1.485 20 0 BDADRP COC(=O)CCCC[C@@H](C)[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001246530577 987887933 /nfs/dbraw/zinc/88/79/33/987887933.db2.gz NCURHWXPLZUDSM-DGCLKSJQSA-N 2 0 242.363 1.531 20 0 BDADRP CC[C@@H]1C[C@@H](N2CC[C@](C)([NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246531674 987888907 /nfs/dbraw/zinc/88/89/07/987888907.db2.gz RSRICGLSDDVRAU-CRWXNKLISA-N 2 0 239.407 1.719 20 0 BDADRP CC[C@@H]1C[C@H](N2C[C@H]([NH3+])[C@@H](F)C2)C[C@H](CC)[NH2+]1 ZINC001246534760 987894786 /nfs/dbraw/zinc/89/47/86/987894786.db2.gz SYSWMJVBUCOKQH-QWQWKMKNSA-N 2 0 243.370 1.277 20 0 BDADRP CSCC[C@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC001246537260 987899910 /nfs/dbraw/zinc/89/99/10/987899910.db2.gz HFZUNSQUPYERHV-JTQLQIEISA-N 2 0 216.394 1.799 20 0 BDADRP C[C@H]1CC[C@@H](C[NH3+])N1[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246540401 987901167 /nfs/dbraw/zinc/90/11/67/987901167.db2.gz GRVSSPYUZYVFSO-TUAOUCFPSA-N 2 0 225.380 1.329 20 0 BDADRP CC(C)COCC[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246543438 987908129 /nfs/dbraw/zinc/90/81/29/987908129.db2.gz NDRCEMVTPKJLHJ-YNEHKIRRSA-N 2 0 228.380 1.859 20 0 BDADRP CCC[C@H](CC)[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246541926 987912042 /nfs/dbraw/zinc/91/20/42/987912042.db2.gz HRABNCKTGFPSKG-STQMWFEESA-N 2 0 228.380 1.741 20 0 BDADRP C[C@@H]1C[C@@H](N2CC[C@H](C)[C@@H](C[NH3+])C2)C[C@H](C)[NH2+]1 ZINC001246549686 987933731 /nfs/dbraw/zinc/93/37/31/987933731.db2.gz HQHALNSEQRGOFV-HPCHECBXSA-N 2 0 239.407 1.432 20 0 BDADRP CCSC[C@@H](C)[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246549857 987940019 /nfs/dbraw/zinc/94/00/19/987940019.db2.gz INZXIRUYDNIPRV-NEPJUHHUSA-N 2 0 246.420 1.304 20 0 BDADRP [NH3+]C[C@]1(F)CCC[N@@H+]([C@H]2CCSC2)CC1 ZINC001246550861 987942968 /nfs/dbraw/zinc/94/29/68/987942968.db2.gz ORTWYJBIEJHBSK-QWRGUYRKSA-N 2 0 232.368 1.645 20 0 BDADRP C[C@@H]1C[C@@H](N2CC[C@@H](C)[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC001246554699 987959236 /nfs/dbraw/zinc/95/92/36/987959236.db2.gz XHFZIFVNYFAUKL-NDBYEHHHSA-N 2 0 225.380 1.044 20 0 BDADRP COC(=O)c1cccc(C[NH2+][C@H](C)CC[NH3+])c1 ZINC001117953466 987968544 /nfs/dbraw/zinc/96/85/44/987968544.db2.gz HQXMSZCZOYZBME-SNVBAGLBSA-N 2 0 236.315 1.300 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@](C)([NH3+])CC2)CCO1 ZINC001246556044 987970713 /nfs/dbraw/zinc/97/07/13/987970713.db2.gz YHAAQZJQOSPJCF-FRRDWIJNSA-N 2 0 226.364 1.757 20 0 BDADRP [NH3+]C[C@H]1CN([C@H]2CCCC[NH2+]C2)CCC1(F)F ZINC001246557903 987974077 /nfs/dbraw/zinc/97/40/77/987974077.db2.gz IZGIXPIYPKKOSG-QWRGUYRKSA-N 2 0 247.333 1.044 20 0 BDADRP C[C@H]1CC[N@@H+](C2C[C@@H]3C=C[C@H](C2)[NH2+]3)CC[C@H]1C[NH3+] ZINC001246557398 987976814 /nfs/dbraw/zinc/97/68/14/987976814.db2.gz LMCASZDJVSFKQE-JZAZDWQXSA-N 3 0 249.402 1.352 20 0 BDADRP C[C@@H]1C[C@H](F)CN1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246559724 987981996 /nfs/dbraw/zinc/98/19/96/987981996.db2.gz PQCSGONUVLUNME-OGZKGVCFSA-N 2 0 212.312 1.702 20 0 BDADRP [NH3+]C[C@@]1(O)CCCC[N@@H+](C2CCCCCC2)C1 ZINC001246561638 987999187 /nfs/dbraw/zinc/99/91/87/987999187.db2.gz RNILHZVPKNRDPB-AWEZNQCLSA-N 2 0 240.391 1.885 20 0 BDADRP C[C@@H]1CCN([C@@H]2CCC[NH2+]C2)CC[C@@H]1C[NH3+] ZINC001246563479 988003806 /nfs/dbraw/zinc/00/38/06/988003806.db2.gz XDLFYILOEWKHAN-JHJVBQTASA-N 2 0 225.380 1.045 20 0 BDADRP C[C@@H]1C[C@H](N2CCC[C@@H](C[NH3+])[C@@H](C)C2)C[NH2+]1 ZINC001246562970 988007552 /nfs/dbraw/zinc/00/75/52/988007552.db2.gz BVRDNCILTUJLLU-RNJOBUHISA-N 2 0 225.380 1.044 20 0 BDADRP [NH3+]C[C@]1(O)CCCC[N@@H+](C2CCCCC2)C1 ZINC001246565688 988011634 /nfs/dbraw/zinc/01/16/34/988011634.db2.gz ZJTKWPZUIYOTCX-CYBMUJFWSA-N 2 0 226.364 1.495 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC001118121682 988021685 /nfs/dbraw/zinc/02/16/85/988021685.db2.gz HFQMSFZTGZKPPH-QJPTWQEYSA-N 2 0 214.353 1.389 20 0 BDADRP CCCC[C@@H](CC(C)C)[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246567776 988030040 /nfs/dbraw/zinc/03/00/40/988030040.db2.gz MSVBPLAEEOJLNN-BFHYXJOUSA-N 2 0 242.407 1.985 20 0 BDADRP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1ccncc1 ZINC001118121817 988030393 /nfs/dbraw/zinc/03/03/93/988030393.db2.gz IWJVPGHLQRXLSW-WDEREUQCSA-N 2 0 207.321 1.730 20 0 BDADRP C[C@@H]1CC[C@@H](N2CCC[C@](C)(C[NH3+])CC2)C[NH2+]1 ZINC001246574842 988079006 /nfs/dbraw/zinc/07/90/06/988079006.db2.gz JGCOLMDAIYQUQJ-MCIONIFRSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@]1(C[NH3+])CCCCN([C@H]2CCCC[NH2+]C2)C1 ZINC001246579721 988097837 /nfs/dbraw/zinc/09/78/37/988097837.db2.gz GRYFBFOPYDJLHC-UONOGXRCSA-N 2 0 239.407 1.579 20 0 BDADRP CCCC[C@@H](CC(C)C)[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246582296 988107456 /nfs/dbraw/zinc/10/74/56/988107456.db2.gz WITBRLAOQYTDDT-MELADBBJSA-N 2 0 242.407 1.843 20 0 BDADRP COC(=O)CC[C@H](C)[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246581976 988111764 /nfs/dbraw/zinc/11/17/64/988111764.db2.gz LTLJAXORMFMKDI-RYUDHWBXSA-N 2 0 242.363 1.389 20 0 BDADRP C[C@@]1(CF)CC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001246581568 988115684 /nfs/dbraw/zinc/11/56/84/988115684.db2.gz YZADYIUBOUSEOD-NSHDSACASA-N 2 0 200.301 1.420 20 0 BDADRP C[C@@H]1C[C@@H](N2CCCC[C@](F)(C[NH3+])C2)CC[NH2+]1 ZINC001246582179 988117323 /nfs/dbraw/zinc/11/73/23/988117323.db2.gz RIHXGEIVJAFOHR-AGIUHOORSA-N 2 0 243.370 1.280 20 0 BDADRP CC(C)C[C@H](C)C[C@@H](C)[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246583028 988120982 /nfs/dbraw/zinc/12/09/82/988120982.db2.gz IJRSNOVVRGQGIN-RFQIPJPRSA-N 2 0 242.407 1.699 20 0 BDADRP C[N@@H+]1CC[C@H](N2CCCC[C@](C)(C[NH3+])C2)C1 ZINC001246583359 988129574 /nfs/dbraw/zinc/12/95/74/988129574.db2.gz JURDXDKFUBVOFZ-QWHCGFSZSA-N 2 0 225.380 1.141 20 0 BDADRP N[C@@H]1CC[N@@H+]([C@H]2CCCOCC2)CC[C@@H]1F ZINC001246586078 988134260 /nfs/dbraw/zinc/13/42/60/988134260.db2.gz LDUSSYYFUSQLTM-SDDRHHMPSA-N 2 0 230.327 1.317 20 0 BDADRP N[C@@H]1CC[N@@H+]([C@H]2CCCOCC2)CC[C@H]1F ZINC001246586077 988136791 /nfs/dbraw/zinc/13/67/91/988136791.db2.gz LDUSSYYFUSQLTM-QJPTWQEYSA-N 2 0 230.327 1.317 20 0 BDADRP CSC(C)(C)C[C@H](C)[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246586417 988146347 /nfs/dbraw/zinc/14/63/47/988146347.db2.gz QFNCUKLFWVLWIJ-GARJFASQSA-N 2 0 246.420 1.158 20 0 BDADRP CCCCC[C@H](CCC)[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246587162 988147503 /nfs/dbraw/zinc/14/75/03/988147503.db2.gz VOZCRQFYGMHNEC-IHRRRGAJSA-N 2 0 242.407 1.987 20 0 BDADRP CC(C)[C@H]1C[C@@H](N2CCCC[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246587731 988150484 /nfs/dbraw/zinc/15/04/84/988150484.db2.gz UAWDZVGJYHNNQG-MELADBBJSA-N 2 0 239.407 1.576 20 0 BDADRP C[C@@H]1C[C@H](N2C[C@H](C[NH3+])CC[C@H]2C)CC[NH2+]1 ZINC001246590259 988170631 /nfs/dbraw/zinc/17/06/31/988170631.db2.gz RZEMEXWOQOHHFO-FVCCEPFGSA-N 2 0 225.380 1.186 20 0 BDADRP C[NH2+]CC1C[NH+]([C@@H]2CC[C@H](C)[C@@H](C)C2)C1 ZINC001246593229 988176330 /nfs/dbraw/zinc/17/63/30/988176330.db2.gz AXJQVGUPZRTYHT-GMXVVIOVSA-N 2 0 210.365 1.962 20 0 BDADRP C1C[NH2+]C[C@]2(C1)CCCN(C1CC[NH2+]CC1)C2 ZINC001246605284 988213076 /nfs/dbraw/zinc/21/30/76/988213076.db2.gz BALNENCPHCBDQR-AWEZNQCLSA-N 3 0 237.391 1.204 20 0 BDADRP CC(C)(C)[C@H]1C[C@H](N2CCC23C[NH2+]C3)CC[NH2+]1 ZINC001246609415 988221455 /nfs/dbraw/zinc/22/14/55/988221455.db2.gz YEEZGIGMSDPBBX-VXGBXAGGSA-N 2 0 237.391 1.201 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@]23CCC[NH2+]C3)CCO1 ZINC001246609698 988224533 /nfs/dbraw/zinc/22/45/33/988224533.db2.gz MSMAHNJHACJBHL-MGPQQGTHSA-N 2 0 238.375 1.772 20 0 BDADRP C1C[N@H+](C2CC[NH2+]CC2)[C@]2(C1)CCC[NH2+]CC2 ZINC001246609553 988226038 /nfs/dbraw/zinc/22/60/38/988226038.db2.gz ZMXKGTMXCTXOPJ-AWEZNQCLSA-N 3 0 237.391 1.347 20 0 BDADRP C[C@H]1C[C@@H](N2CCC[C@@]23CCC[NH2+]C3)CC[NH2+]1 ZINC001246613375 988237633 /nfs/dbraw/zinc/23/76/33/988237633.db2.gz YUMWIAPGVGDONT-MELADBBJSA-N 2 0 237.391 1.345 20 0 BDADRP C1[NH2+]CC12CC[C@@H]([N@@H+]1CCC[C@]13CCC[NH2+]C3)C2 ZINC001246611066 988239119 /nfs/dbraw/zinc/23/91/19/988239119.db2.gz RHYBSJZVHBQDNX-HIFRSBDPSA-N 3 0 249.402 1.347 20 0 BDADRP C[C@H]1CC[C@@H]([N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)C1 ZINC001246618518 988255221 /nfs/dbraw/zinc/25/52/21/988255221.db2.gz LQLYAAPFAFINLG-CRWXNKLISA-N 2 0 237.391 1.201 20 0 BDADRP CO[C@H]1CCC[C@H]([NH+]2CCC(F)(C[NH3+])CC2)C1 ZINC001246622200 988263070 /nfs/dbraw/zinc/26/30/70/988263070.db2.gz YBILQQJFCXISON-RYUDHWBXSA-N 2 0 244.354 1.707 20 0 BDADRP [NH3+]CC1(F)CC[NH+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246624038 988283701 /nfs/dbraw/zinc/28/37/01/988283701.db2.gz DGAMSWFGWMLUPN-FOSCPWQOSA-N 3 0 241.354 1.032 20 0 BDADRP C1C[NH2+][C@@]2(C1)CCCN(C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246626546 988292141 /nfs/dbraw/zinc/29/21/41/988292141.db2.gz XMHXOELFQFPTPN-IXXDHKBRSA-N 2 0 249.402 1.487 20 0 BDADRP C[C@@H]1CC([NH+]2CCC(F)(C[NH3+])CC2)C[C@@H](C)O1 ZINC001246626917 988300913 /nfs/dbraw/zinc/30/09/13/988300913.db2.gz LKMKXPWSALUHFZ-GHMZBOCLSA-N 2 0 244.354 1.705 20 0 BDADRP CC[C@H]1C[C@H]([NH+]2CCC(F)(C[NH3+])CC2)CCO1 ZINC001246629115 988301775 /nfs/dbraw/zinc/30/17/75/988301775.db2.gz PKMUWYUXODXPRC-NEPJUHHUSA-N 2 0 244.354 1.707 20 0 BDADRP CC[C@@H]1C[C@@H]([NH+]2CCC(F)(C[NH3+])CC2)CCO1 ZINC001246629116 988304431 /nfs/dbraw/zinc/30/44/31/988304431.db2.gz PKMUWYUXODXPRC-NWDGAFQWSA-N 2 0 244.354 1.707 20 0 BDADRP CC1(C)C[C@H]([NH+]2CCC(F)(C[NH3+])CC2)CCO1 ZINC001246631371 988309557 /nfs/dbraw/zinc/30/95/57/988309557.db2.gz WZGIUNGYGXRSML-LLVKDONJSA-N 2 0 244.354 1.707 20 0 BDADRP CC[C@H]1C[C@H]([N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CCO1 ZINC001246629708 988311691 /nfs/dbraw/zinc/31/16/91/988311691.db2.gz FZABYFZXUGTVPB-MROQNXINSA-N 2 0 224.348 1.380 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@H]3[NH2+]CC[C@H]31)C2 ZINC001246640370 988336105 /nfs/dbraw/zinc/33/61/05/988336105.db2.gz TXSNCEUPALNLGU-MBJXGIAVSA-N 2 0 235.375 1.048 20 0 BDADRP C[C@@H]1CC[C@@H](N2CCC3(CC[NH2+]C3)CC2)C[NH2+]1 ZINC001246644747 988357646 /nfs/dbraw/zinc/35/76/46/988357646.db2.gz YCNULUPZAXZMIG-CHWSQXEVSA-N 2 0 237.391 1.202 20 0 BDADRP C1C[C@@]2(C[NH2+]1)CCCC[N@@H+]2[C@@H]1CCCOCC1 ZINC001246645834 988363238 /nfs/dbraw/zinc/36/32/38/988363238.db2.gz WFBPQKFILOLXSQ-ZIAGYGMSSA-N 2 0 238.375 1.774 20 0 BDADRP C1[NH2+]CC12C[C@H]([N@@H+]1CC[C@H]3CCC[C@H]3C1)CCN2 ZINC001246655836 988382199 /nfs/dbraw/zinc/38/21/99/988382199.db2.gz LQBYEQZQJNVWLN-HZSPNIEDSA-N 2 0 249.402 1.202 20 0 BDADRP C1CC2(C1)C[C@H](N1C[C@H]3CCC[NH2+][C@H]3C1)CC[NH2+]2 ZINC001246659398 988393469 /nfs/dbraw/zinc/39/34/69/988393469.db2.gz SEOZDGNUAVUBOQ-MCIONIFRSA-N 2 0 249.402 1.345 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N2CC3(C2)CCC[NH2+]3)CC[NH2+]1 ZINC001246666336 988403403 /nfs/dbraw/zinc/40/34/03/988403403.db2.gz IWZLNIHDQMTYKZ-STQMWFEESA-N 2 0 237.391 1.201 20 0 BDADRP C1[NH2+][C@H]2CCCN([C@@H]3CCC[C@@]4(CC[NH2+]C4)C3)[C@@H]12 ZINC001246666008 988405009 /nfs/dbraw/zinc/40/50/09/988405009.db2.gz VQVXTXUVKWROKO-CBBWQLFWSA-N 2 0 249.402 1.345 20 0 BDADRP C[C@H]1CNCC[N@@H+]1[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246671078 988416620 /nfs/dbraw/zinc/41/66/20/988416620.db2.gz GKIXBDVUIHOWML-QWHCGFSZSA-N 2 0 237.391 1.202 20 0 BDADRP CC[C@@H]1C[C@H](N2C[C@H]3C[C@@H](C2)[NH2+]3)C[C@H](CC)[NH2+]1 ZINC001246674663 988418394 /nfs/dbraw/zinc/41/83/94/988418394.db2.gz ACQWSSZSVYLUPX-KCLGILNXSA-N 2 0 237.391 1.342 20 0 BDADRP C1[C@@H]2CN([C@@H]3CC[NH2+]C4(CCCCC4)C3)C[C@H]1[NH2+]2 ZINC001246677747 988424178 /nfs/dbraw/zinc/42/41/78/988424178.db2.gz NJXMOUFBNOCLQD-HZSPNIEDSA-N 2 0 249.402 1.487 20 0 BDADRP C[C@@H]1CC[C@@H](N2CCC(C3C[NH2+]C3)CC2)C[NH2+]1 ZINC001246677870 988424250 /nfs/dbraw/zinc/42/42/50/988424250.db2.gz JHXDHVQEHHQSQT-BXUZGUMPSA-N 2 0 237.391 1.058 20 0 BDADRP C[C@@H]1C[C@H](N2C[C@H](C)[N@H+](C)C[C@H]2C)CC[NH2+]1 ZINC001246687614 988433393 /nfs/dbraw/zinc/43/33/93/988433393.db2.gz AWJJZOAAYKLIJU-YVECIDJPSA-N 2 0 225.380 1.151 20 0 BDADRP C[NH2+]C1CCC([N@@H+]2C[C@H](C)NC[C@H]2C)CC1 ZINC001246691919 988437348 /nfs/dbraw/zinc/43/73/48/988437348.db2.gz RZSNQCKRMJITMK-ZFDZMSFRSA-N 2 0 225.380 1.199 20 0 BDADRP CC(C)[C@H]1C[C@@H](N2C[C@H](C)[NH2+]C[C@H]2C)CC[NH2+]1 ZINC001246687657 988439229 /nfs/dbraw/zinc/43/92/29/988439229.db2.gz CDESFGKOMOVWOY-RFQIPJPRSA-N 2 0 239.407 1.445 20 0 BDADRP CCO[C@H]1CCC[N@@H+]([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246785154 988459081 /nfs/dbraw/zinc/45/90/81/988459081.db2.gz JEZJELOOQDZJHB-UPJWGTAASA-N 2 0 226.364 1.628 20 0 BDADRP CC[N@H+](C1CCN(C)CC1)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246784933 988460369 /nfs/dbraw/zinc/46/03/69/988460369.db2.gz IQRWELCOLISLPY-GXTWGEPZSA-N 2 0 239.407 1.543 20 0 BDADRP CCO[C@H]1CCC[N@@H+]([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246785152 988462492 /nfs/dbraw/zinc/46/24/92/988462492.db2.gz JEZJELOOQDZJHB-AGIUHOORSA-N 2 0 226.364 1.628 20 0 BDADRP CCN(C1CC[NH2+]CC1)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246796654 988470360 /nfs/dbraw/zinc/47/03/60/988470360.db2.gz MAJPVOKVPKEWCV-WCQYABFASA-N 2 0 225.380 1.201 20 0 BDADRP CCN(C1CC[NH2+]CC1)[C@H]1CCCC[NH2+]C1 ZINC001246798556 988470688 /nfs/dbraw/zinc/47/06/88/988470688.db2.gz UXCQCYOMUJTUSJ-ZDUSSCGKSA-N 2 0 225.380 1.202 20 0 BDADRP CC[C@H]1CN([C@@H]2CC[NH2+]C3(CCC3)C2)CC[NH2+]1 ZINC001246804403 988486215 /nfs/dbraw/zinc/48/62/15/988486215.db2.gz PQROSEFYVSEKIY-QWHCGFSZSA-N 2 0 237.391 1.345 20 0 BDADRP CCOC(=O)CC[N@H+](C)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246815274 988495988 /nfs/dbraw/zinc/49/59/88/988495988.db2.gz XADCKPSJFLOWMR-QWRGUYRKSA-N 2 0 228.336 1.012 20 0 BDADRP C[C@@H]1CC(N2CC[NH2+]C(C)(C)C2)C[C@@H](C)[NH2+]1 ZINC001246815444 988504443 /nfs/dbraw/zinc/50/44/43/988504443.db2.gz CORUGOBEYCZPNJ-GHMZBOCLSA-N 2 0 225.380 1.199 20 0 BDADRP CC(C)C[C@H]1CN([C@@H]2CC[C@H](C)[NH2+]C2)CC[NH2+]1 ZINC001246821305 988509318 /nfs/dbraw/zinc/50/93/18/988509318.db2.gz JKKDFUXBYDDAJT-MELADBBJSA-N 2 0 239.407 1.447 20 0 BDADRP CC(C)C[C@H]1CN([C@H]2CCC[NH2+]CC2)CC[NH2+]1 ZINC001246826149 988518071 /nfs/dbraw/zinc/51/80/71/988518071.db2.gz XFBUEUFJNRXJEM-KBPBESRZSA-N 2 0 239.407 1.448 20 0 BDADRP C[NH2+]C1CCC([N@H+]2C[C@@H](C)N[C@@H](C)C2)CC1 ZINC001246824330 988519227 /nfs/dbraw/zinc/51/92/27/988519227.db2.gz MUBYZESXPPOLPH-MPEURRAXSA-N 2 0 225.380 1.199 20 0 BDADRP CC(C)[C@H]1C[C@@H](N2CC[NH2+]C3(CC3)C2)CC[NH2+]1 ZINC001246831214 988522318 /nfs/dbraw/zinc/52/23/18/988522318.db2.gz BXZYGDAWIQVCHW-QWHCGFSZSA-N 2 0 237.391 1.201 20 0 BDADRP C[C@H]1CC(N2CCCC[C@H]2C[NH3+])C[C@H](C)[NH2+]1 ZINC001246829569 988522638 /nfs/dbraw/zinc/52/26/38/988522638.db2.gz MFWLTRZPUUBRJH-SRVKXCTJSA-N 2 0 225.380 1.329 20 0 BDADRP C1N([C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC12CCCC[NH2+]2 ZINC001246831755 988525646 /nfs/dbraw/zinc/52/56/46/988525646.db2.gz DUKLPTFBHAKWJH-WDNDVIMCSA-N 2 0 249.402 1.487 20 0 BDADRP CC[C@@H]1CC(N(C)C2C[NH2+]C2)C[C@@H](CC)[NH2+]1 ZINC001246831925 988529649 /nfs/dbraw/zinc/52/96/49/988529649.db2.gz GQABFCKOUFVVJR-GHMZBOCLSA-N 2 0 225.380 1.199 20 0 BDADRP C[NH+]1CCC2(CCN([C@H]3CCC[NH2+]C3)C2)CC1 ZINC001246843879 988555238 /nfs/dbraw/zinc/55/52/38/988555238.db2.gz WZLHJFLIQNHAHN-ZDUSSCGKSA-N 2 0 237.391 1.156 20 0 BDADRP CC[C@@H]1CCCC[N@@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246845826 988555648 /nfs/dbraw/zinc/55/56/48/988555648.db2.gz MGABMFKQSOSDOM-CHWSQXEVSA-N 2 0 237.391 1.345 20 0 BDADRP c1cn(C2CC[NH2+]CC2)c([C@@H]2CCC[NH2+]C2)n1 ZINC001246845239 988559723 /nfs/dbraw/zinc/55/97/23/988559723.db2.gz DVLVJBPXZBMMLG-LLVKDONJSA-N 2 0 234.347 1.275 20 0 BDADRP CSCC[C@H](C)[N@@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001246851389 988570887 /nfs/dbraw/zinc/57/08/87/988570887.db2.gz FQNISXQEQLKEJB-GARJFASQSA-N 2 0 214.378 1.551 20 0 BDADRP [NH3+][C@]12CC[C@@H]1C[N@@H+]([C@@H]1CCc3ncsc3C1)C2 ZINC001246851241 988570703 /nfs/dbraw/zinc/57/07/03/988570703.db2.gz FBWJRAYDEHXMSH-BREBYQMCSA-N 2 0 249.383 1.424 20 0 BDADRP CCN([C@@H]1CC[NH2+]C1)[C@@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246853386 988571263 /nfs/dbraw/zinc/57/12/63/988571263.db2.gz VIMCNAVAYRGDFX-MCIONIFRSA-N 2 0 239.407 1.447 20 0 BDADRP CC(=O)[C@@H]1CCC[N@@H+]([C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246850915 988572672 /nfs/dbraw/zinc/57/26/72/988572672.db2.gz KCHXQFSJADVJCY-UHTWSYAYSA-N 2 0 224.348 1.428 20 0 BDADRP CC(C)[NH+]1CCC(N2C[C@@H]3CC[C@]3([NH3+])C2)CC1 ZINC001246859301 988586694 /nfs/dbraw/zinc/58/66/94/988586694.db2.gz JKIAMDVISFTESC-JSGCOSHPSA-N 2 0 237.391 1.282 20 0 BDADRP C[C@@H]1CCC[C@@H]([N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])C1 ZINC001246859916 988587067 /nfs/dbraw/zinc/58/70/67/988587067.db2.gz MPAYCNIFCHUQNT-RQICVUQASA-N 2 0 238.375 1.471 20 0 BDADRP CCCCC[C@@H](C)[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246858769 988587161 /nfs/dbraw/zinc/58/71/61/988587161.db2.gz HEAWHSJKSQPQMA-HABKJSAYSA-N 2 0 240.391 1.861 20 0 BDADRP CCSC[C@H](C)N1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246863333 988615401 /nfs/dbraw/zinc/61/54/01/988615401.db2.gz WYLRVTPVGUMSLK-WSMDXJOWSA-N 2 0 244.404 1.034 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC001246869697 988624219 /nfs/dbraw/zinc/62/42/19/988624219.db2.gz HRGQVEVEXZXMGP-MJBXVCDLSA-N 2 0 241.423 1.789 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)N1C[C@H]2C[C@@]2([NH3+])C1 ZINC001246874065 988635077 /nfs/dbraw/zinc/63/50/77/988635077.db2.gz VRDKOGAYRNRJOP-BFHYXJOUSA-N 2 0 239.407 1.530 20 0 BDADRP C[C@H]1CC[C@H](N2CCC3(C[NH+](C)C3)CC2)C[NH2+]1 ZINC001246873893 988638402 /nfs/dbraw/zinc/63/84/02/988638402.db2.gz HMIGKVWIUPMONL-STQMWFEESA-N 2 0 237.391 1.155 20 0 BDADRP C[C@H]1CN([C@H]2CC[NH2+]C(C)(C)C2)[C@@H](C)C[NH2+]1 ZINC001246871835 988638463 /nfs/dbraw/zinc/63/84/63/988638463.db2.gz NCHZXKFTKYGNMT-SRVKXCTJSA-N 2 0 225.380 1.199 20 0 BDADRP C[C@H]1C[N@@H+](C2CCC3(C[NH2+]C3)CC2)[C@@H](C)CN1 ZINC001246871926 988639339 /nfs/dbraw/zinc/63/93/39/988639339.db2.gz OYVVMNCESXTRRJ-RYUDHWBXSA-N 2 0 237.391 1.201 20 0 BDADRP CC[C@@]12C[C@@H](CO1)[N@@H+]([C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246878309 988645483 /nfs/dbraw/zinc/64/54/83/988645483.db2.gz KKZJVXUZRTZEKF-NDBYEHHHSA-N 2 0 224.348 1.380 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N1[C@H](C)C[NH2+]C[C@H]1C ZINC001246884311 988648655 /nfs/dbraw/zinc/64/86/55/988648655.db2.gz SLEUPQRJCVBIFH-BFHYXJOUSA-N 2 0 241.423 1.789 20 0 BDADRP CCCC[C@H]1C[C@@H](N2C[C@@H](C)[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246883558 988649450 /nfs/dbraw/zinc/64/94/50/988649450.db2.gz WNRPMTJBVQIVCK-RFGFWPKPSA-N 2 0 239.407 1.576 20 0 BDADRP CC[C@H]1C[C@@H](N2[C@H](C)C[NH2+]C[C@H]2C)CC[NH2+]1 ZINC001246883816 988649751 /nfs/dbraw/zinc/64/97/51/988649751.db2.gz PARMDZAPTKWEIU-NDBYEHHHSA-N 2 0 225.380 1.199 20 0 BDADRP C[C@@H]1CNC[C@@H](C)[NH+]1C1CCC2(C[NH2+]C2)CC1 ZINC001246881439 988650906 /nfs/dbraw/zinc/65/09/06/988650906.db2.gz DEKDITTXMZARRI-VXGBXAGGSA-N 2 0 237.391 1.201 20 0 BDADRP CC[C@H]1CC(N(CC)CC[NH3+])C[C@H](CC)[NH2+]1 ZINC001246891196 988653902 /nfs/dbraw/zinc/65/39/02/988653902.db2.gz KWNHEYXOFCFEDX-RYUDHWBXSA-N 2 0 227.396 1.576 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N(C)C[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC001246888192 988655352 /nfs/dbraw/zinc/65/53/52/988655352.db2.gz GZZKFTNXFKBVJQ-IHRRRGAJSA-N 2 0 239.407 1.447 20 0 BDADRP CC(C)[C@@H]1CCC[N@@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246887309 988655642 /nfs/dbraw/zinc/65/56/42/988655642.db2.gz LJVJYMMMKJAFPV-OLZOCXBDSA-N 2 0 237.391 1.201 20 0 BDADRP CCCN(C1CC[NH2+]CC1)[C@@H]1CCCC[NH2+]C1 ZINC001246896367 988664866 /nfs/dbraw/zinc/66/48/66/988664866.db2.gz GRTUWMFZUJDOPE-CQSZACIVSA-N 2 0 239.407 1.593 20 0 BDADRP CCOC(=O)[C@H]1CCN([C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC001246892370 988664926 /nfs/dbraw/zinc/66/49/26/988664926.db2.gz BQSUOGBDOLUULM-WOPDTQHZSA-N 2 0 240.347 1.012 20 0 BDADRP CCCN(C1CC[NH2+]CC1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246893211 988665260 /nfs/dbraw/zinc/66/52/60/988665260.db2.gz IPAVYXHHANQKQK-OCCSQVGLSA-N 2 0 239.407 1.591 20 0 BDADRP CCN(CC[NH2+]C)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246893957 988666517 /nfs/dbraw/zinc/66/65/17/988666517.db2.gz YILGDTGCVBUSRB-STQMWFEESA-N 2 0 241.423 1.694 20 0 BDADRP CCC[C@H]1CN([C@H](C)CC[NH2+]C)CC[NH2+]1 ZINC001246896263 988668769 /nfs/dbraw/zinc/66/87/69/988668769.db2.gz FSPHJGQXUAROCG-NEPJUHHUSA-N 2 0 213.369 1.058 20 0 BDADRP CN([C@H]1CCCC[C@@H]1[NH3+])[C@@H]1CCCC[NH2+]C1 ZINC001246907163 988674248 /nfs/dbraw/zinc/67/42/48/988674248.db2.gz DMHFNBVLZQBBSJ-AGIUHOORSA-N 2 0 225.380 1.330 20 0 BDADRP C[N@H+](C1CC1)[C@H]1CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246906619 988678588 /nfs/dbraw/zinc/67/85/88/988678588.db2.gz COZPBKXBPPYZLO-PEZGSVAQSA-N 2 0 249.402 1.438 20 0 BDADRP CCCC[C@H]1C[C@H](N2CC([NH3+])(CC)C2)CC[NH2+]1 ZINC001246903441 988681136 /nfs/dbraw/zinc/68/11/36/988681136.db2.gz XSCDCNHMLNIBLT-QWHCGFSZSA-N 2 0 239.407 1.720 20 0 BDADRP CN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@]1(C)CCC[NH2+]C1 ZINC001246906585 988681977 /nfs/dbraw/zinc/68/19/77/988681977.db2.gz CNHMKQQDXZPIQU-QNMSZWNNSA-N 2 0 237.391 1.343 20 0 BDADRP CCCC[C@@H]1C[C@@H](N2CCC[C@@H]2C[NH3+])CC[NH2+]1 ZINC001246907623 988688684 /nfs/dbraw/zinc/68/86/84/988688684.db2.gz FZRQYBUYNZKMPC-HZSPNIEDSA-N 2 0 239.407 1.720 20 0 BDADRP CC(C)[N@H+](C)[C@@H]1CCN([C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC001246907395 988691401 /nfs/dbraw/zinc/69/14/01/988691401.db2.gz FSWUGDJQRXPPTM-HZSPNIEDSA-N 2 0 239.407 1.541 20 0 BDADRP C[N@H+](CCO)[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246911663 988695301 /nfs/dbraw/zinc/69/53/01/988695301.db2.gz IHPICQCMAQKWRM-GJZGRUSLSA-N 2 0 248.370 1.274 20 0 BDADRP C[NH2+]C1CCC(N(C)[C@@]2(C)CCC[NH2+]C2)CC1 ZINC001246913527 988697345 /nfs/dbraw/zinc/69/73/45/988697345.db2.gz QVYDDMLTDMWIOZ-RUXDESIVSA-N 2 0 239.407 1.591 20 0 BDADRP CCC[C@@H]1C[NH2+]CCN1[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246911107 988700488 /nfs/dbraw/zinc/70/04/88/988700488.db2.gz ASAFSXWFJZFPIB-XQQFMLRXSA-N 2 0 225.380 1.201 20 0 BDADRP C[NH2+]CC[C@@H](C)[N@H+](C)C1CCC([NH2+]C)CC1 ZINC001246914507 988708817 /nfs/dbraw/zinc/70/88/17/988708817.db2.gz CQRCCLGPWVZOKZ-PNESKVBLSA-N 3 0 227.396 1.447 20 0 BDADRP C[NH2+]C1CCC([N@H+](C)[C@@H]2CCCC[C@@H]2N)CC1 ZINC001246918766 988714952 /nfs/dbraw/zinc/71/49/52/988714952.db2.gz MBPFZQHBLCULHN-CLRIEMFWSA-N 2 0 239.407 1.719 20 0 BDADRP CCC[C@@H]1C[NH2+]CCN1[C@H]1CC[NH2+][C@H](CC)C1 ZINC001246917334 988716964 /nfs/dbraw/zinc/71/69/64/988716964.db2.gz FTRXRUPTYLKSRM-HZSPNIEDSA-N 2 0 239.407 1.591 20 0 BDADRP CC(C)(C)[C@@H]1C[C@@H](N2CCC[C@@H]2C[NH3+])CC[NH2+]1 ZINC001246918796 988717170 /nfs/dbraw/zinc/71/71/70/988717170.db2.gz XCCJINDBJRFAEZ-XQQFMLRXSA-N 2 0 239.407 1.576 20 0 BDADRP C[C@@H]1C[C@H]([N@H+]2C[C@H]3[C@H](C2)CCCN3C)CC[NH2+]1 ZINC001246919849 988723733 /nfs/dbraw/zinc/72/37/33/988723733.db2.gz SCVXOZATYXWRHW-RQJABVFESA-N 2 0 237.391 1.153 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CCCN(C)[C@@H]3C2)CC[NH2+]1 ZINC001246919851 988730168 /nfs/dbraw/zinc/73/01/68/988730168.db2.gz SCVXOZATYXWRHW-XJFOESAGSA-N 2 0 237.391 1.153 20 0 BDADRP CC(C)(C)[C@@H]1C[C@H](N2C[C@H]3C[NH2+]C[C@@H]32)CC[NH2+]1 ZINC001246923744 988734972 /nfs/dbraw/zinc/73/49/72/988734972.db2.gz ZEOYXBKFPNCBGE-NDBYEHHHSA-N 2 0 237.391 1.057 20 0 BDADRP C[C@H]1CC[C@H](N2CCC[C@H]([NH2+]C3CC3)C2)C[NH2+]1 ZINC001246921743 988735224 /nfs/dbraw/zinc/73/52/24/988735224.db2.gz RWWRSESUFZYJAX-UBHSHLNASA-N 2 0 237.391 1.343 20 0 BDADRP CCCN([C@@H]1CC[NH2+]C1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246926005 988754279 /nfs/dbraw/zinc/75/42/79/988754279.db2.gz BISHBPVQOPKONW-FRRDWIJNSA-N 2 0 225.380 1.201 20 0 BDADRP CCC[C@@H]1C[NH2+]CCN1[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246932847 988760699 /nfs/dbraw/zinc/76/06/99/988760699.db2.gz SBFMEAPAOLKDJE-YNEHKIRRSA-N 2 0 225.380 1.201 20 0 BDADRP CN1CCC([N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CC1 ZINC001246934332 988764900 /nfs/dbraw/zinc/76/49/00/988764900.db2.gz UIJBCRRYKCXRMK-BETUJISGSA-N 2 0 237.391 1.012 20 0 BDADRP CCC[C@@H]1C[NH2+]CCN1[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246938139 988766400 /nfs/dbraw/zinc/76/64/00/988766400.db2.gz WDSSPPQPLFGKGV-XJFOESAGSA-N 2 0 239.407 1.589 20 0 BDADRP CCCN([C@H]1CC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246939876 988767803 /nfs/dbraw/zinc/76/78/03/988767803.db2.gz HQKKDPILRHEXCX-WJLOJVBCSA-N 2 0 237.391 1.343 20 0 BDADRP C[NH2+]C[C@H]1CCCN1[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246938934 988768292 /nfs/dbraw/zinc/76/82/92/988768292.db2.gz PSHFAZMYWDDFBN-YVECIDJPSA-N 2 0 225.380 1.199 20 0 BDADRP CCCN([C@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]CC1 ZINC001246940704 988773672 /nfs/dbraw/zinc/77/36/72/988773672.db2.gz JWJZCFCCLYGDFL-STQMWFEESA-N 2 0 225.380 1.202 20 0 BDADRP CCN(C[C@@H]1CC[NH2+]C1)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246942154 988774469 /nfs/dbraw/zinc/77/44/69/988774469.db2.gz NHRUZDXLSHRQSC-JHJVBQTASA-N 2 0 225.380 1.058 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCOC2(C)C)C1 ZINC001324288725 988783801 /nfs/dbraw/zinc/78/38/01/988783801.db2.gz ORDDQCVOUBFNQE-OLZOCXBDSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H](N)C[N@H+](C)C1CCC2(CC[NH2+]C2)CC1 ZINC001246981314 988796253 /nfs/dbraw/zinc/79/62/53/988796253.db2.gz PVLKXKFOVXVVPX-HIFPTAJRSA-N 2 0 225.380 1.188 20 0 BDADRP CC[C@@H]1C[C@H](N(C(C)C)[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC001246969290 988800672 /nfs/dbraw/zinc/80/06/72/988800672.db2.gz VBIIGPWBKCAARX-MGPQQGTHSA-N 2 0 239.407 1.589 20 0 BDADRP C[C@@H]1CC(N(C2CC2)[C@@H]2CC[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC001246970249 988801784 /nfs/dbraw/zinc/80/17/84/988801784.db2.gz YMNPNUNTGAPMSW-NQBHXWOUSA-N 2 0 237.391 1.342 20 0 BDADRP CC[C@H]([NH3+])CN(C)[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246973480 988802925 /nfs/dbraw/zinc/80/29/25/988802925.db2.gz JOYYHDRQHFSPJT-USZNOCQGSA-N 2 0 213.369 1.185 20 0 BDADRP C[C@@H]1C[C@H](N(C[C@H]2CCC[NH2+]C2)C2CC2)C[NH2+]1 ZINC001246976246 988806033 /nfs/dbraw/zinc/80/60/33/988806033.db2.gz VUSXFIAJHXXHTA-DYEKYZERSA-N 2 0 237.391 1.201 20 0 BDADRP CCCN(C[C@H]1CC[NH2+]C1)[C@@H]1CCCC[NH2+]C1 ZINC001246973894 988806314 /nfs/dbraw/zinc/80/63/14/988806314.db2.gz JAUDEXSPOVAICZ-UONOGXRCSA-N 2 0 239.407 1.450 20 0 BDADRP CCCC[C@@H]1C[C@@H](N(C)C[C@@H]([NH3+])CC)CC[NH2+]1 ZINC001246982557 988806464 /nfs/dbraw/zinc/80/64/64/988806464.db2.gz YLMROFCZIGTAMY-MJBXVCDLSA-N 2 0 241.423 1.966 20 0 BDADRP CC[C@H]([NH3+])CN(C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246979848 988809264 /nfs/dbraw/zinc/80/92/64/988809264.db2.gz DPQASSNOQDRTDQ-RVMXOQNASA-N 2 0 225.380 1.329 20 0 BDADRP CC(C)OCC[C@@H](C)[N@H+](C)C[C@H](C)[NH3+] ZINC001246979456 988810649 /nfs/dbraw/zinc/81/06/49/988810649.db2.gz ALQPQSMXWWNHJL-WDEREUQCSA-N 2 0 202.342 1.469 20 0 BDADRP C1CN(C2CCC3(CC[NH2+]CC3)CC2)C[NH2+]1 ZINC001246990740 988823870 /nfs/dbraw/zinc/82/38/70/988823870.db2.gz IURJADDUZNIEJL-UHFFFAOYSA-N 2 0 223.364 1.162 20 0 BDADRP CC[C@@H]1C[C@H](N2CC[NH2+]C3=CCCC[C@H]32)CC[NH2+]1 ZINC001246995813 988827794 /nfs/dbraw/zinc/82/77/94/988827794.db2.gz MXPLEOSUALTOKL-UMVBOHGHSA-N 2 0 249.402 1.859 20 0 BDADRP CC[N@@H+]1CCN([C@@H]2CC[NH2+][C@@H](C)C2)C(C)(C)C1 ZINC001246994572 988828109 /nfs/dbraw/zinc/82/81/09/988828109.db2.gz PVWKATVHCKEKMK-QWHCGFSZSA-N 2 0 239.407 1.543 20 0 BDADRP C1=C2NCC[N@@H+]([C@@H]3C[C@H]4C[NH2+]C[C@H]4C3)[C@@H]2CCC1 ZINC001246997169 988828725 /nfs/dbraw/zinc/82/87/25/988828725.db2.gz QYIJUYKPRCKSBD-UKTARXLSSA-N 2 0 247.386 1.326 20 0 BDADRP C[C@@H]1C[C@H](N2CC[C@@H]3[NH2+]CCC[C@H]3C2)CCO1 ZINC001247017137 988843031 /nfs/dbraw/zinc/84/30/31/988843031.db2.gz ZVSNLINUDRTWSX-RQJABVFESA-N 2 0 238.375 1.628 20 0 BDADRP [NH3+]Cc1nc2c(cccc2F)n1C1CC[NH2+]CC1 ZINC001247025554 988843164 /nfs/dbraw/zinc/84/31/64/988843164.db2.gz KDTVCQBBCUHHDS-UHFFFAOYSA-N 2 0 248.305 1.559 20 0 BDADRP C1C[NH2+][C@@H]2CCN([C@H]3CCC[NH2+]CC3)C[C@@H]2C1 ZINC001247015893 988845118 /nfs/dbraw/zinc/84/51/18/988845118.db2.gz QZICMZHWNMWIHI-MELADBBJSA-N 2 0 237.391 1.202 20 0 BDADRP C[NH2+][C@@H](CC(C)C)C(=O)NCC[N@H+](C)C(C)C ZINC001119297965 988898183 /nfs/dbraw/zinc/89/81/83/988898183.db2.gz XOGOGPPUQMEYKG-LBPRGKRZSA-N 2 0 243.395 1.077 20 0 BDADRP CC(C)C[N@@H+]1CC[C@H](CNc2cc[nH+]cc2)C1 ZINC001515204876 988999134 /nfs/dbraw/zinc/99/91/34/988999134.db2.gz LRGTXZVONOONBB-CYBMUJFWSA-N 2 0 233.359 1.893 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)NC(=O)CCC[NH2+]C ZINC001515172708 989001152 /nfs/dbraw/zinc/00/11/52/989001152.db2.gz DJYROOPQUJQRJJ-GFCCVEGCSA-N 2 0 243.395 1.223 20 0 BDADRP COCC[N@H+]1[C@H](C)CN(c2cc[nH+]cc2)C[C@@H]1C ZINC001515223362 989006251 /nfs/dbraw/zinc/00/62/51/989006251.db2.gz SUVIFLRLJKAHQA-BETUJISGSA-N 2 0 249.358 1.627 20 0 BDADRP CC(C)([NH3+])CCNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC001119372548 989015962 /nfs/dbraw/zinc/01/59/62/989015962.db2.gz NYVDYLXJRYRPOE-MNOVXSKESA-N 2 0 241.379 1.138 20 0 BDADRP C[NH2+][C@H](C)CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC001325744784 989247888 /nfs/dbraw/zinc/24/78/88/989247888.db2.gz VJDXWCHEBRZYDS-AAVRWANBSA-N 2 0 239.407 1.447 20 0 BDADRP C[NH2+][C@@H](C)CC[NH2+][C@H](C)CCCOC ZINC001326037131 989338287 /nfs/dbraw/zinc/33/82/87/989338287.db2.gz VYFIFCPVVYESFY-WDEREUQCSA-N 2 0 202.342 1.389 20 0 BDADRP CCC[NH2+]CCN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC001119699788 989349580 /nfs/dbraw/zinc/34/95/80/989349580.db2.gz ZDICQOZWCTUBBY-AGIUHOORSA-N 2 0 239.407 1.352 20 0 BDADRP [NH3+]Cc1cccc(NC(=O)[C@@H]2CCCCC[NH2+]2)c1 ZINC001326281478 989457249 /nfs/dbraw/zinc/45/72/49/989457249.db2.gz AWUYNGAMPBENPT-ZDUSSCGKSA-N 2 0 247.342 1.616 20 0 BDADRP CCC[C@H](C)[C@@H](CO)[NH2+]CC1CC[NH+](C)CC1 ZINC001119971049 989524166 /nfs/dbraw/zinc/52/41/66/989524166.db2.gz GMYCFDDHLFYQQH-GXTWGEPZSA-N 2 0 242.407 1.715 20 0 BDADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC001326688531 989653899 /nfs/dbraw/zinc/65/38/99/989653899.db2.gz SOBVYCRYRQUVEM-IJLUTSLNSA-N 2 0 241.379 1.103 20 0 BDADRP C[C@@H](O)C[NH2+]Cc1ccccc1C[NH+](C)C ZINC001120466418 989660663 /nfs/dbraw/zinc/66/06/63/989660663.db2.gz BHRUJTMQGNXDJJ-LLVKDONJSA-N 2 0 222.332 1.219 20 0 BDADRP C[C@@H](CCCC[NH3+])NC(=O)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001521540922 989738251 /nfs/dbraw/zinc/73/82/51/989738251.db2.gz NQGPKOVUGUMTAC-QJPTWQEYSA-N 2 0 241.379 1.008 20 0 BDADRP O=C(C[C@@H]1CCC[NH2+]1)Nc1cccc2c1C[NH2+]C2 ZINC001522497047 989857177 /nfs/dbraw/zinc/85/71/77/989857177.db2.gz RJWZXOAIVVCQIR-NSHDSACASA-N 2 0 245.326 1.370 20 0 BDADRP C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C(=O)CCCCC[NH3+] ZINC001522823476 989879955 /nfs/dbraw/zinc/87/99/55/989879955.db2.gz BWJJQVPEHQKYKW-SDDRHHMPSA-N 2 0 241.379 1.103 20 0 BDADRP CC[C@H](C)C[C@H]([NH3+])C(=O)NCC1([NH3+])CCCC1 ZINC001122143802 990261522 /nfs/dbraw/zinc/26/15/22/990261522.db2.gz QGKVCZWWFTXOPV-QWRGUYRKSA-N 2 0 241.379 1.138 20 0 BDADRP [NH3+]Cc1ccccc1C(=O)NCC1([NH3+])CCCC1 ZINC001122143957 990262942 /nfs/dbraw/zinc/26/29/42/990262942.db2.gz RSHPYVFRUSJBHW-UHFFFAOYSA-N 2 0 247.342 1.147 20 0 BDADRP C[N@@H+](Cc1ncccc1O)CC1CC[NH+](C)CC1 ZINC001138395047 990933831 /nfs/dbraw/zinc/93/38/31/990933831.db2.gz RGYPQZUTPKGYDN-UHFFFAOYSA-N 2 0 249.358 1.561 20 0 BDADRP Cc1n[nH]cc1C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC001308430621 990992396 /nfs/dbraw/zinc/99/23/96/990992396.db2.gz GRIPZQICKKMOOR-UHFFFAOYSA-N 2 0 241.298 1.656 20 0 BDADRP c1cc(CNCc2ccc3c[nH+]cn3c2)n[nH]1 ZINC001308430256 990993106 /nfs/dbraw/zinc/99/31/06/990993106.db2.gz CKWWZHJUWUTPLJ-UHFFFAOYSA-N 2 0 227.271 1.347 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCOCC[NH3+])C[C@@H](C)C1 ZINC001258150523 991034282 /nfs/dbraw/zinc/03/42/82/991034282.db2.gz BUGLKAWEKRMAPG-GDNZZTSVSA-N 2 0 214.353 1.376 20 0 BDADRP C[C@@H](Cc1ccco1)[NH2+]CCC[N@H+](C)CCO ZINC001258184613 991087414 /nfs/dbraw/zinc/08/74/14/991087414.db2.gz GUDCRJLQDBZDIH-LBPRGKRZSA-N 2 0 240.347 1.114 20 0 BDADRP CSCC[C@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001258227232 991156829 /nfs/dbraw/zinc/15/68/29/991156829.db2.gz WVBYAKHIZAAOKM-SDDRHHMPSA-N 2 0 228.405 1.621 20 0 BDADRP Cc1ccc(C[NH+]2CCC3(C[NH+](C)C3)CC2)nc1 ZINC001139842753 991401503 /nfs/dbraw/zinc/40/15/03/991401503.db2.gz ZQZSZGSXCRAJLV-UHFFFAOYSA-N 2 0 245.370 1.918 20 0 BDADRP C[C@@H](Cc1cccnc1)[NH2+]CCCC[NH+](C)C ZINC001258609872 991533651 /nfs/dbraw/zinc/53/36/51/991533651.db2.gz WMNYHEGTVGGILW-ZDUSSCGKSA-N 2 0 235.375 1.944 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)Cc1cccnc1 ZINC001258615417 991541799 /nfs/dbraw/zinc/54/17/99/991541799.db2.gz IDHKWBDFMNXZQD-MNOVXSKESA-N 2 0 207.321 1.197 20 0 BDADRP CCNc1ccccc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC001560679638 991551242 /nfs/dbraw/zinc/55/12/42/991551242.db2.gz TYEJEOMETHPTTK-KBPBESRZSA-N 2 0 245.370 1.770 20 0 BDADRP C[NH+](C)CC1CC[NH+](Cc2ccncn2)CC1 ZINC001140347716 991617483 /nfs/dbraw/zinc/61/74/83/991617483.db2.gz RRPFSSYWTXBXNI-UHFFFAOYSA-N 2 0 234.347 1.250 20 0 BDADRP CO[C@H](C)C[NH2+]CCCCC[NH+]1CCCC1 ZINC001560855500 991625070 /nfs/dbraw/zinc/62/50/70/991625070.db2.gz AUFDIQDZMWLZEN-CYBMUJFWSA-N 2 0 228.380 1.877 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H](CO)CC(C)C)CC1 ZINC001560920859 991653524 /nfs/dbraw/zinc/65/35/24/991653524.db2.gz SCSMITGWWFWVKT-CQSZACIVSA-N 2 0 242.407 1.715 20 0 BDADRP COC(=O)C1CC([NH2+]C[C@@H]2CCCCN2C)C1 ZINC001561036109 991697130 /nfs/dbraw/zinc/69/71/30/991697130.db2.gz RMZUJHMVWDQJHA-MCIGGMRASA-N 2 0 240.347 1.012 20 0 BDADRP C[C@H]1CCC[C@@H]([NH2+]CCOCC[NH3+])C1 ZINC001258808314 991810677 /nfs/dbraw/zinc/81/06/77/991810677.db2.gz OXXSGGVAOCGXNF-WDEREUQCSA-N 2 0 200.326 1.130 20 0 BDADRP C[C@@H]1C[N@@H+](CCCNc2cc[nH+]cc2)C[C@H](C)O1 ZINC001319288136 991831463 /nfs/dbraw/zinc/83/14/63/991831463.db2.gz XLDUPQPBRYDTML-BETUJISGSA-N 2 0 249.358 1.415 20 0 BDADRP COc1ccccc1C[C@H](C)[NH2+][C@@H]1C[C@H]1N ZINC001258881860 991888541 /nfs/dbraw/zinc/88/85/41/991888541.db2.gz FDMUIIMVOSDYMC-MVWJERBFSA-N 2 0 220.316 1.315 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C[C@@H]1CCO1 ZINC001258899021 991889901 /nfs/dbraw/zinc/88/99/01/991889901.db2.gz BBISKNYSOSTDKO-STQMWFEESA-N 2 0 228.380 1.875 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+]CCOC(C)=O ZINC001258907176 991896603 /nfs/dbraw/zinc/89/66/03/991896603.db2.gz ONABERCCGJDAOM-LBPRGKRZSA-N 2 0 244.379 1.650 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1COC(=O)C1 ZINC001258900376 991897152 /nfs/dbraw/zinc/89/71/52/991897152.db2.gz KLJLUFGYHPEMCB-VXGBXAGGSA-N 2 0 242.363 1.402 20 0 BDADRP CC(C)[NH2+][C@H](C)CCNC(=O)CCC[NH+](C)C ZINC001567226719 991970692 /nfs/dbraw/zinc/97/06/92/991970692.db2.gz AOFFFHBFXWVYPR-GFCCVEGCSA-N 2 0 243.395 1.221 20 0 BDADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH+](C)C(C)C ZINC001569145610 992329333 /nfs/dbraw/zinc/32/93/33/992329333.db2.gz MOCSQWZVZKMUEL-LBPRGKRZSA-N 2 0 243.395 1.173 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12)[C@H]1CC1(F)F ZINC001474757335 992530663 /nfs/dbraw/zinc/53/06/63/992530663.db2.gz UVXAZTYAPGTOLK-RNWYCLNJSA-N 2 0 244.329 1.960 20 0 BDADRP CC1(O)CCC([NH2+]C2CCC(C[NH3+])CC2)CC1 ZINC001262199907 992793351 /nfs/dbraw/zinc/79/33/51/992793351.db2.gz DHSRTYOOTRKTKP-UHFFFAOYSA-N 2 0 240.391 1.787 20 0 BDADRP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)[C@H](C)CCO1 ZINC001574104753 992804895 /nfs/dbraw/zinc/80/48/95/992804895.db2.gz KCONLBOEABLFLF-VXGBXAGGSA-N 2 0 226.364 1.485 20 0 BDADRP CC(C)(C[NH3+])CC(=O)NCc1ccccc1C[NH3+] ZINC001262553792 992902363 /nfs/dbraw/zinc/90/23/63/992902363.db2.gz KVULCESVFDNDEB-UHFFFAOYSA-N 2 0 249.358 1.137 20 0 BDADRP C1C[C@@H](C2CC[NH+]([C@H]3CCOC3)CC2)C[NH2+]1 ZINC001574774350 992903219 /nfs/dbraw/zinc/90/32/19/992903219.db2.gz LAIFFTKLDLOLTP-OLZOCXBDSA-N 2 0 224.348 1.097 20 0 BDADRP C1C[C@H]2C[C@@H]([NH2+][C@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)[C@@H]1O2 ZINC001574794552 992905560 /nfs/dbraw/zinc/90/55/60/992905560.db2.gz DUZDEMNLRHYTDP-UYYXNEDZSA-N 2 0 236.359 1.284 20 0 BDADRP C([NH2+][C@]12CCC[C@H]1OCC2)C1CC[NH2+]CC1 ZINC001574817002 992921140 /nfs/dbraw/zinc/92/11/40/992921140.db2.gz PJBJYILHGLDFLP-OLZOCXBDSA-N 2 0 224.348 1.287 20 0 BDADRP C=Cn1cc(C[NH2+]C2CC3(CC([NH3+])C3)C2)cn1 ZINC001574962009 992951021 /nfs/dbraw/zinc/95/10/21/992951021.db2.gz CPQUIJYJTFKHTJ-UHFFFAOYSA-N 2 0 232.331 1.343 20 0 BDADRP CC(C)(C)[C@H](C[NH3+])NCc1cccc(F)c1N ZINC001575109076 992989268 /nfs/dbraw/zinc/98/92/68/992989268.db2.gz VNEXYJCUTPTXAW-NSHDSACASA-N 2 0 239.338 1.871 20 0 BDADRP CC(C)(C)N1CC[C@H]([NH2+]C2CC3(C[C@@H]3[NH3+])C2)C1 ZINC001575138864 992996790 /nfs/dbraw/zinc/99/67/90/992996790.db2.gz GXOUNWYUHGCTAS-ATWGWHJKSA-N 2 0 237.391 1.329 20 0 BDADRP CC(C)(C)[N@H+](CCCCCC[NH3+])CC(N)=O ZINC001575142665 992998591 /nfs/dbraw/zinc/99/85/91/992998591.db2.gz ZRQZVTHWUFBZHI-UHFFFAOYSA-N 2 0 229.368 1.091 20 0 BDADRP CC(C)(C)OC(=O)CC[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC001575161149 993002145 /nfs/dbraw/zinc/00/21/45/993002145.db2.gz WINLFMHETPAMLF-VHSXEESVSA-N 2 0 242.363 1.434 20 0 BDADRP CC(C)(C[NH3+])C[NH2+][C@@H]1CCCC[C@@H]1F ZINC001575315317 993010231 /nfs/dbraw/zinc/01/02/31/993010231.db2.gz NRMAFZBLUNJXBF-VHSXEESVSA-N 2 0 202.317 1.842 20 0 BDADRP CC(C)C(C[NH2+]C[C@@]1(O)CC[NH2+]C1)C(C)C ZINC001575435006 993042453 /nfs/dbraw/zinc/04/24/53/993042453.db2.gz UIWHAVWZFXHFAY-CYBMUJFWSA-N 2 0 228.380 1.229 20 0 BDADRP CC(C)[C@H](O)CC[NH2+][C@](C)(CN)C(C)C ZINC001575473638 993053781 /nfs/dbraw/zinc/05/37/81/993053781.db2.gz VXZVVSBKMRWQTP-VXGBXAGGSA-N 2 0 216.369 1.356 20 0 BDADRP CC(C)C1(O)C[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001575496405 993055301 /nfs/dbraw/zinc/05/53/01/993055301.db2.gz OSXMCZCKZUAIDN-YHWZYXNKSA-N 2 0 238.375 1.220 20 0 BDADRP CC(C)C[C@@H](C[NH3+])NC(=O)CC[NH2+]C(C)(C)C ZINC001575542509 993069114 /nfs/dbraw/zinc/06/91/14/993069114.db2.gz MANKLGAJEUCMTN-NSHDSACASA-N 2 0 243.395 1.254 20 0 BDADRP CC(C)CC[C@@H](CO)[NH2+]CC1(C[NH3+])CC1 ZINC001575553915 993069187 /nfs/dbraw/zinc/06/91/87/993069187.db2.gz IXIJPSHVYYGSRE-NSHDSACASA-N 2 0 214.353 1.112 20 0 BDADRP CC(C)OC(=O)[C@H](C)[N@H+](C)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001575738221 993102043 /nfs/dbraw/zinc/10/20/43/993102043.db2.gz SEJKQRKQTRYIIU-SDDRHHMPSA-N 2 0 242.363 1.386 20 0 BDADRP CC(C)[C@@H]1C[C@H]1[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC001575831238 993109530 /nfs/dbraw/zinc/10/95/30/993109530.db2.gz GEOJWMPEPJSDFR-WHOHXGKFSA-N 2 0 208.349 1.890 20 0 BDADRP CC(C)[C@H]([NH3+])C(=O)Nc1ccc2c[nH+]cn2c1 ZINC001575835005 993112011 /nfs/dbraw/zinc/11/20/11/993112011.db2.gz MZJYEVVYMNJFJM-NSHDSACASA-N 2 0 232.287 1.256 20 0 BDADRP C[C@@H](C[C@@H]1CCOC1)[NH2+]CC1([NH3+])CCC1 ZINC001575940999 993134326 /nfs/dbraw/zinc/13/43/26/993134326.db2.gz GMBRSOJLJYONAI-QWRGUYRKSA-N 2 0 212.337 1.273 20 0 BDADRP C[C@H](CCN[C@@H]1CC[NH2+]CC(C)(C)C1)[NH+](C)C ZINC001575966871 993143795 /nfs/dbraw/zinc/14/37/95/993143795.db2.gz ISMZDJRJXUOTIT-CHWSQXEVSA-N 2 0 241.423 1.694 20 0 BDADRP C[C@@H](CCn1cccn1)[NH2+][C@H]1CC[NH2+][C@@H]1C ZINC001575971974 993146391 /nfs/dbraw/zinc/14/63/91/993146391.db2.gz JLSSMPOLQPEGCL-TUAOUCFPSA-N 2 0 222.336 1.002 20 0 BDADRP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC001263187077 993157470 /nfs/dbraw/zinc/15/74/70/993157470.db2.gz YUEYIFPIPMRNQB-GBIKHYSHSA-N 2 0 247.342 1.044 20 0 BDADRP C[C@H](Cc1ccno1)[NH2+]CC1([NH3+])CCC1 ZINC001576066395 993170533 /nfs/dbraw/zinc/17/05/33/993170533.db2.gz NUNIJEWZNCJNTR-SECBINFHSA-N 2 0 209.293 1.077 20 0 BDADRP C[C@H]([NH2+]C1CC2(CC([NH3+])C2)C1)c1cnccn1 ZINC001576239255 993226309 /nfs/dbraw/zinc/22/63/09/993226309.db2.gz LXLAGSXUSPQEPJ-UZJKLBMHSA-N 2 0 232.331 1.397 20 0 BDADRP C[C@](O)(C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)C(F)F ZINC001576257628 993239130 /nfs/dbraw/zinc/23/91/30/993239130.db2.gz DTCUIFVHDSIEHA-DLOVCJGASA-N 2 0 248.317 1.063 20 0 BDADRP C[C@H](O)[C@H](C)[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001576263134 993241251 /nfs/dbraw/zinc/24/12/51/993241251.db2.gz FVNOENRFSIUPOI-AVGNSLFASA-N 2 0 226.364 1.221 20 0 BDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC001576379913 993285431 /nfs/dbraw/zinc/28/54/31/993285431.db2.gz CAMRNPVRZPXBPV-USZNOCQGSA-N 2 0 226.364 1.253 20 0 BDADRP CC1(C)C[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)CC[C@@H]1O ZINC001576457807 993309975 /nfs/dbraw/zinc/30/99/75/993309975.db2.gz OQQWPILWBICNRZ-TUAOUCFPSA-N 2 0 226.364 1.207 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H](C)CCO ZINC000380171930 993317440 /nfs/dbraw/zinc/31/74/40/993317440.db2.gz HWZKNEFAFSJTHI-VXGBXAGGSA-N 2 0 216.369 1.467 20 0 BDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC[C@H]1COC(C)(C)O1 ZINC001576494343 993321450 /nfs/dbraw/zinc/32/14/50/993321450.db2.gz ACLAZTMGFJGSMS-DCAQKATOSA-N 2 0 242.363 1.243 20 0 BDADRP C[C@@]1(C[NH2+][C@H]2C[C@@H]3COC[C@@H]32)CCC[NH2+]C1 ZINC001576518557 993327317 /nfs/dbraw/zinc/32/73/17/993327317.db2.gz AIJMMCHDOORUFG-MROQNXINSA-N 2 0 224.348 1.001 20 0 BDADRP CC1(C[NH2+][C@H]2COC3(C[NH2+]C3)C2)CCCC1 ZINC001576518641 993328436 /nfs/dbraw/zinc/32/84/36/993328436.db2.gz CJWKAVNNLIPPNB-LLVKDONJSA-N 2 0 224.348 1.287 20 0 BDADRP C[C@@]1(C[NH2+]CC23CC(C2)C[NH2+]3)CCCC[C@H]1O ZINC001576518583 993328709 /nfs/dbraw/zinc/32/87/09/993328709.db2.gz ARMAGBGFMCBCFX-DKNRTOFZSA-N 2 0 238.375 1.269 20 0 BDADRP C[C@]1(C[NH2+]C[C@@H]2CCCC(C)(C)O2)CC[NH2+]C1 ZINC001576518751 993328746 /nfs/dbraw/zinc/32/87/46/993328746.db2.gz GNTHWBODBGIZIF-JSGCOSHPSA-N 2 0 240.391 1.923 20 0 BDADRP CC1(C[NH2+][C@@H]2COC3(C[NH2+]C3)C2)CCCC1 ZINC001576518642 993328899 /nfs/dbraw/zinc/32/88/99/993328899.db2.gz CJWKAVNNLIPPNB-NSHDSACASA-N 2 0 224.348 1.287 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1C[C@@H]3COC[C@@H]31)[NH2+]2 ZINC001576586801 993359709 /nfs/dbraw/zinc/35/97/09/993359709.db2.gz AUQQNNUCIGVFSL-SDQVUQRESA-N 2 0 236.359 1.140 20 0 BDADRP C[C@H]1C[C@H](C[N@@H+]2C[C@H]3CCN(C)[C@H]3C2)CC[NH2+]1 ZINC001576598264 993363551 /nfs/dbraw/zinc/36/35/51/993363551.db2.gz NBCNMMFCCPFLQP-DGAVXFQQSA-N 2 0 237.391 1.010 20 0 BDADRP CC1CC(C[NH2+]Cc2c(C[NH3+])cnn2C)C1 ZINC001576599205 993364144 /nfs/dbraw/zinc/36/41/44/993364144.db2.gz SJDJXBHTTBKSGD-UHFFFAOYSA-N 2 0 222.336 1.015 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)[C@H](C)O1 ZINC001576623730 993372940 /nfs/dbraw/zinc/37/29/40/993372940.db2.gz MNIXROADKXUCFV-WRWGMCAJSA-N 2 0 212.337 1.142 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C2CC3(C[C@H]3[NH3+])C2)[C@H](C)O1 ZINC001576623925 993373007 /nfs/dbraw/zinc/37/30/07/993373007.db2.gz MUMJLZZLXHPZKT-NOECIWOMSA-N 2 0 210.321 1.022 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)CCO1 ZINC001576625432 993375711 /nfs/dbraw/zinc/37/57/11/993375711.db2.gz YXSOQYNTUHPGEQ-YFKTTZPYSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H]2COC3(C[NH2+]C3)C2)C1 ZINC001576648098 993381968 /nfs/dbraw/zinc/38/19/68/993381968.db2.gz WPQTXICYSYGVLX-MROQNXINSA-N 2 0 238.375 1.532 20 0 BDADRP C[C@@H]1CC2(CC([NH2+][C@H]3C[C@@H]([NH3+])C3)C2)CO1 ZINC001576637873 993382097 /nfs/dbraw/zinc/38/20/97/993382097.db2.gz XCMSAZSOUPAIDV-QZWZXBRZSA-N 2 0 210.321 1.023 20 0 BDADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@H]2COC3(C[NH2+]C3)C2)C1 ZINC001576648101 993382358 /nfs/dbraw/zinc/38/23/58/993382358.db2.gz WPQTXICYSYGVLX-YVECIDJPSA-N 2 0 238.375 1.532 20 0 BDADRP CO[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000381389760 993392050 /nfs/dbraw/zinc/39/20/50/993392050.db2.gz NTYKRDFNCCTRQQ-XABDTUPHSA-N 2 0 224.348 1.379 20 0 BDADRP C[C@H]1CCC[C@]1(O)C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC001576680993 993392918 /nfs/dbraw/zinc/39/29/18/993392918.db2.gz YBTHGZZLNFLMRG-WFASDCNBSA-N 2 0 248.370 1.786 20 0 BDADRP C[C@H]1CCC[C@@]1(O)C[NH2+]CC1(C[NH3+])CCC1 ZINC001576681103 993393034 /nfs/dbraw/zinc/39/30/34/993393034.db2.gz ZXHYBVSMLYLRLT-WCQYABFASA-N 2 0 226.364 1.256 20 0 BDADRP CC(C)[C@H](O)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000381522695 993402259 /nfs/dbraw/zinc/40/22/59/993402259.db2.gz VGGSDYFGVOEYGB-WXRRBKDZSA-N 2 0 228.380 1.466 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+]CC2(CO)CCC2)CC1 ZINC000381649286 993412260 /nfs/dbraw/zinc/41/22/60/993412260.db2.gz CREHQJDTPDERPB-LBPRGKRZSA-N 2 0 226.364 1.223 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@]2(O)CC[NH2+]C2)CC(C)(C)C1 ZINC001576799782 993424030 /nfs/dbraw/zinc/42/40/30/993424030.db2.gz CNZPXQFCLVDGIT-WCQYABFASA-N 2 0 226.364 1.079 20 0 BDADRP C[C@H]1C[N@H+](CC(=O)OC(C)(C)C)CC[C@H]1C[NH3+] ZINC001576800832 993429663 /nfs/dbraw/zinc/42/96/63/993429663.db2.gz MXLBUXVZYMAFCQ-QWRGUYRKSA-N 2 0 242.363 1.245 20 0 BDADRP C[C@@H]1COCC[C@@H]1C[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001576853681 993434776 /nfs/dbraw/zinc/43/47/76/993434776.db2.gz JGEWPHBBSGXAJD-SRMYXAEUSA-N 2 0 224.348 1.128 20 0 BDADRP C[C@@H]1Cc2n[nH]cc2C[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC001576861798 993439546 /nfs/dbraw/zinc/43/95/46/993439546.db2.gz HYAZJZCTQNDBIM-NEPJUHHUSA-N 2 0 248.374 1.404 20 0 BDADRP CC[NH+](CC)C[C@@H](O)C[N@H+](C)C(C)(C)C ZINC000382151346 993441804 /nfs/dbraw/zinc/44/18/04/993441804.db2.gz RPUHFJODGKFTMF-NSHDSACASA-N 2 0 216.369 1.419 20 0 BDADRP CC[NH+](CC)C[C@H](O)C[N@H+](C)C(C)(C)C ZINC000382151345 993442410 /nfs/dbraw/zinc/44/24/10/993442410.db2.gz RPUHFJODGKFTMF-LLVKDONJSA-N 2 0 216.369 1.419 20 0 BDADRP CC[N@H+](C[C@@H](O)CN1CCCC1)C(C)(C)C ZINC000382198176 993443664 /nfs/dbraw/zinc/44/36/64/993443664.db2.gz YTZQXPUPCRTFDH-LBPRGKRZSA-N 2 0 228.380 1.564 20 0 BDADRP C[C@@H]1SCC[C@H]1[NH2+]CCC1([NH3+])CCOCC1 ZINC001576915348 993448476 /nfs/dbraw/zinc/44/84/76/993448476.db2.gz VCNPNBBCHHRKFQ-WDEREUQCSA-N 2 0 244.404 1.368 20 0 BDADRP C[C@@H]1SCC[C@H]1[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001576913935 993452861 /nfs/dbraw/zinc/45/28/61/993452861.db2.gz MHARIURTGSLIID-ZYKDIFDCSA-N 2 0 212.362 1.350 20 0 BDADRP CC[C@H](C)[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC001576967739 993467586 /nfs/dbraw/zinc/46/75/86/993467586.db2.gz WTICSYKAABKKBH-TUAOUCFPSA-N 2 0 242.363 1.245 20 0 BDADRP CC[C@H](C)[C@H](C)[NH2+]C[C@@H]([NH3+])CCOC ZINC001576962614 993469757 /nfs/dbraw/zinc/46/97/57/993469757.db2.gz UCGNBDSZSRHERB-DCAQKATOSA-N 2 0 202.342 1.374 20 0 BDADRP CC[C@H](C)[C@H](C[NH2+]C1CC2(C[C@@H]2[NH3+])C1)OC ZINC001576970959 993475478 /nfs/dbraw/zinc/47/54/78/993475478.db2.gz MCCVEWXGCZWYFD-OBXMVCJZSA-N 2 0 226.364 1.517 20 0 BDADRP CC[C@@H](C)C[C@@H](CO)[NH2+]CC1(C[NH3+])CC1 ZINC001576972543 993478620 /nfs/dbraw/zinc/47/86/20/993478620.db2.gz WAVPFNSPJUDPLW-MNOVXSKESA-N 2 0 214.353 1.112 20 0 BDADRP CC[C@H](C[C@@H](C)CO)[NH2+]C[C@@H](N)CC(F)F ZINC001577044130 993488127 /nfs/dbraw/zinc/48/81/27/993488127.db2.gz OZOBNUHEZSCTTA-KXUCPTDWSA-N 2 0 238.322 1.356 20 0 BDADRP CCC(CC)(CC(=O)OC)[NH2+]C[C@@H](C)[NH3+] ZINC001577049700 993489382 /nfs/dbraw/zinc/48/93/82/993489382.db2.gz AIJCKBOPAXKDGJ-SECBINFHSA-N 2 0 216.325 1.045 20 0 BDADRP CCC(CC)(C[NH3+])CN[C@@H]1CC[N@H+](C)[C@H]1C ZINC001577052138 993489447 /nfs/dbraw/zinc/48/94/47/993489447.db2.gz JSIVBUDEDLZHRD-NWDGAFQWSA-N 2 0 227.396 1.434 20 0 BDADRP CCC(CC)(C[NH3+])C[NH2+]CC1([S@](C)=O)CC1 ZINC001577052605 993489711 /nfs/dbraw/zinc/48/97/11/993489711.db2.gz ZQLRFZBYEOSBTQ-INIZCTEOSA-N 2 0 246.420 1.252 20 0 BDADRP CCC(CC)(C[NH2+]C1CC(C[NH3+])C1)C(=O)OC ZINC001577059267 993492473 /nfs/dbraw/zinc/49/24/73/993492473.db2.gz AMMMPUHGDDTKRV-UHFFFAOYSA-N 2 0 242.363 1.293 20 0 BDADRP CCC(CC)(CO)C[NH2+]C[C@@H]([NH3+])CC(F)F ZINC001577059864 993492926 /nfs/dbraw/zinc/49/29/26/993492926.db2.gz HIIYAVPJPJGEBQ-VIFPVBQESA-N 2 0 238.322 1.357 20 0 BDADRP CC[C@H](Cc1ccccc1)[NH2+]C[C@@]1(O)CC[NH2+]C1 ZINC001577096508 993500638 /nfs/dbraw/zinc/50/06/38/993500638.db2.gz PDYIBXPTLVVEKW-HUUCEWRRSA-N 2 0 248.370 1.322 20 0 BDADRP CC[C@@H](C[NH2+]C[C@H](C[NH3+])C(C)C)C(=O)OC ZINC001577091240 993503947 /nfs/dbraw/zinc/50/39/47/993503947.db2.gz ZHUSXJVOKICKHF-QWRGUYRKSA-N 2 0 230.352 1.006 20 0 BDADRP CC[C@H]([NH3+])C[NH2+]CC1Cc2ccccc2C1 ZINC001577124712 993516854 /nfs/dbraw/zinc/51/68/54/993516854.db2.gz NLICPRXWCUMZHP-AWEZNQCLSA-N 2 0 218.344 1.728 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]([NH3+])CCOC)[C@H]1CCCCO1 ZINC001577176219 993531247 /nfs/dbraw/zinc/53/12/47/993531247.db2.gz WGFWGMXWRYPSHV-RWMBFGLXSA-N 2 0 244.379 1.288 20 0 BDADRP CC[C@@H]([NH2+]C[C@@H]([NH3+])CCOC)C1CC1 ZINC001577175647 993531605 /nfs/dbraw/zinc/53/16/05/993531605.db2.gz DOQMAELCNAZAOA-WDEREUQCSA-N 2 0 200.326 1.128 20 0 BDADRP CC[C@H]([NH2+]C[C@H]([NH3+])CCOC)[C@H]1CCCOC1 ZINC001577175910 993532389 /nfs/dbraw/zinc/53/23/89/993532389.db2.gz MANOVCKECLFMST-XQQFMLRXSA-N 2 0 244.379 1.145 20 0 BDADRP CC[C@H]1[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCO[C@@H](CC)C1 ZINC001577241349 993557606 /nfs/dbraw/zinc/55/76/06/993557606.db2.gz RPVSJLPPUJFTSJ-RQJABVFESA-N 2 0 240.391 1.922 20 0 BDADRP CC[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC001577246842 993559636 /nfs/dbraw/zinc/55/96/36/993559636.db2.gz TZRCBCASHBLPEL-YIYPIFLZSA-N 2 0 240.391 1.515 20 0 BDADRP CC[C@H]1C[N@H+](Cc2cc[nH]c(=O)c2)CC[C@H]1[NH3+] ZINC001577279779 993579620 /nfs/dbraw/zinc/57/96/20/993579620.db2.gz PYLQONCPZVKXFC-NWDGAFQWSA-N 2 0 235.331 1.346 20 0 BDADRP CCC[C@H](CCO)[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001577358182 993589415 /nfs/dbraw/zinc/58/94/15/993589415.db2.gz SPAIPRCFGHKHFF-ZYGVAYEYSA-N 2 0 212.337 1.007 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)N(C)CCCC[NH+](C)C ZINC001577328769 993599560 /nfs/dbraw/zinc/59/95/60/993599560.db2.gz ZRHYRYHIUABPDR-CYBMUJFWSA-N 2 0 243.395 1.304 20 0 BDADRP CCC[C@@H](C)[C@@H](CO)[NH2+]CC12CC(C1)C[NH2+]2 ZINC001577336618 993606161 /nfs/dbraw/zinc/60/61/61/993606161.db2.gz SQANHIKVRIJNET-CQLXCSJHSA-N 2 0 226.364 1.125 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)C[N@H+](C)C1CCC1 ZINC001577390796 993637041 /nfs/dbraw/zinc/63/70/41/993637041.db2.gz XIOSOYCAZNHEMU-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)C[NH2+]C ZINC001577418847 993658559 /nfs/dbraw/zinc/65/85/59/993658559.db2.gz FKLMDUSWWCVSBW-UPJWGTAASA-N 2 0 228.380 1.515 20 0 BDADRP CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C[NH2+]C ZINC001577418845 993659580 /nfs/dbraw/zinc/65/95/80/993659580.db2.gz FKLMDUSWWCVSBW-JHJVBQTASA-N 2 0 228.380 1.515 20 0 BDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)C[NH2+]C(C)C ZINC001577445330 993661522 /nfs/dbraw/zinc/66/15/22/993661522.db2.gz NHDXERAWESYWAB-GFCCVEGCSA-N 2 0 243.395 1.221 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C[C@H](O)CF ZINC000386157796 993675896 /nfs/dbraw/zinc/67/58/96/993675896.db2.gz VNUDDLSVGHQVAD-VXGBXAGGSA-N 2 0 234.359 1.417 20 0 BDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)C(C)(C)C[NH3+] ZINC001577510307 993676494 /nfs/dbraw/zinc/67/64/94/993676494.db2.gz JLZVARVCTXBGLQ-LLVKDONJSA-N 2 0 243.395 1.208 20 0 BDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)CC(C)(C)[NH3+] ZINC001577510288 993677087 /nfs/dbraw/zinc/67/70/87/993677087.db2.gz IVVMVMBVVKONCJ-LLVKDONJSA-N 2 0 243.395 1.350 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)N[C@@H](C[NH+](C)C)C(C)C ZINC001577551330 993686113 /nfs/dbraw/zinc/68/61/13/993686113.db2.gz PJZMBNJIAYULLF-NEPJUHHUSA-N 2 0 243.395 1.077 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC001577554092 993687112 /nfs/dbraw/zinc/68/71/12/993687112.db2.gz AWJBIPAAWAVNFO-NWDGAFQWSA-N 2 0 243.395 1.219 20 0 BDADRP CCC[NH2+][C@@H](C)C(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC001577554093 993688077 /nfs/dbraw/zinc/68/80/77/993688077.db2.gz AWJBIPAAWAVNFO-RYUDHWBXSA-N 2 0 243.395 1.219 20 0 BDADRP CCCOC(=O)[C@H](C)[N@H+](C)CC1CC[NH2+]CC1 ZINC001577574871 993690148 /nfs/dbraw/zinc/69/01/48/993690148.db2.gz WVXWCNZZFBYKRM-NSHDSACASA-N 2 0 242.363 1.260 20 0 BDADRP CCCn1cncc1C[NH2+]CC1=CC[NH2+]CC1 ZINC001577624591 993699650 /nfs/dbraw/zinc/69/96/50/993699650.db2.gz BQKDMLWGJGCCPY-UHFFFAOYSA-N 2 0 234.347 1.302 20 0 BDADRP CC[N@H+](C)[C@H]1CCN(C[C@@H](C[NH3+])C(C)C)C1 ZINC001577654370 993706569 /nfs/dbraw/zinc/70/65/69/993706569.db2.gz BURBCMQXETWICV-OLZOCXBDSA-N 2 0 227.396 1.243 20 0 BDADRP CCN(C)[C@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC001577654774 993709304 /nfs/dbraw/zinc/70/93/04/993709304.db2.gz HDTJDOUTHXBACV-OLZOCXBDSA-N 2 0 225.380 1.012 20 0 BDADRP CCN(C)[C@@H]1CC[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001577655147 993710315 /nfs/dbraw/zinc/71/03/15/993710315.db2.gz SLWBYHGCRTXMMH-YNEHKIRRSA-N 2 0 225.380 1.140 20 0 BDADRP CC[N@H+](C)[C@H]1CCN(C[C@H](C[NH3+])C(C)C)C1 ZINC001577654372 993712246 /nfs/dbraw/zinc/71/22/46/993712246.db2.gz BURBCMQXETWICV-STQMWFEESA-N 2 0 227.396 1.243 20 0 BDADRP [NH3+]C[C@@H]1CCCC[N@H+](Cc2cccnc2)C1 ZINC000390513937 993792022 /nfs/dbraw/zinc/79/20/22/993792022.db2.gz CYRYYNCXXQYGLD-LBPRGKRZSA-N 2 0 219.332 1.642 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)[C@H](C)O ZINC000700785189 993852201 /nfs/dbraw/zinc/85/22/01/993852201.db2.gz CNPYVRJUUMGGJZ-WOPDTQHZSA-N 2 0 214.353 1.077 20 0 BDADRP CC(C)O[C@@H]1CC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000701658404 993898043 /nfs/dbraw/zinc/89/80/43/993898043.db2.gz RUMKHUJNUQGUOZ-GFCCVEGCSA-N 2 0 212.337 1.238 20 0 BDADRP CCOC(C)(C)C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000702665523 994031306 /nfs/dbraw/zinc/03/13/06/994031306.db2.gz YRGAJGOXYZUFFC-STQMWFEESA-N 2 0 240.391 1.875 20 0 BDADRP CCc1nc(C)cc(N[C@H]2C[NH+]3CCC2CC3)n1 ZINC000394133489 994044480 /nfs/dbraw/zinc/04/44/80/994044480.db2.gz CNWTZTBDXCPMQX-LBPRGKRZSA-N 2 0 246.358 1.275 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@@H](C)Cc1ccn(C(C)C)n1 ZINC000414995090 398138431 /nfs/dbraw/zinc/13/84/31/398138431.db2.gz VTOCOJSTHUKXHU-NWDGAFQWSA-N 2 0 238.379 1.722 20 0 BDADRP CO[C@@H](C)[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000161563281 349473764 /nfs/dbraw/zinc/47/37/64/349473764.db2.gz ZYIPPUXKDDEGAL-NEPJUHHUSA-N 2 0 228.380 1.872 20 0 BDADRP CCC(CC)(CO)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000309432649 168328914 /nfs/dbraw/zinc/32/89/14/168328914.db2.gz XWQDIYVLTWGYNW-LBPRGKRZSA-N 2 0 230.396 1.892 20 0 BDADRP C1C[C@H]2C[C@@H]([NH2+][C@@H]3CCCOCC3)CC[N@@H+]2C1 ZINC000157465147 136213804 /nfs/dbraw/zinc/21/38/04/136213804.db2.gz KVJXTTURKVJTNR-RDBSUJKOSA-N 2 0 238.375 1.772 20 0 BDADRP CC[C@H]([NH2+]C[C@@H](C)SC)[C@@H]1CCC[NH2+]1 ZINC000422941854 398159708 /nfs/dbraw/zinc/15/97/08/398159708.db2.gz VSMPZXDJECHMBE-VWYCJHECSA-N 2 0 216.394 1.858 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCCN1C ZINC000422906078 398156889 /nfs/dbraw/zinc/15/68/89/398156889.db2.gz UECOTXCTSUZOLA-AGIUHOORSA-N 2 0 225.380 1.058 20 0 BDADRP COC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000422939740 398158331 /nfs/dbraw/zinc/15/83/31/398158331.db2.gz RNRJZSUDMKAEQG-RTXFEEFZSA-N 2 0 226.364 1.389 20 0 BDADRP C([C@@H]1CC[NH2+]C1)[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000390454129 398173918 /nfs/dbraw/zinc/17/39/18/398173918.db2.gz CCYCBOBTIPCGMF-DGCLKSJQSA-N 2 0 208.349 1.860 20 0 BDADRP CC(C)CN(Cc1cnn(C)c1)CC(C)(C)[NH3+] ZINC000415095390 398160734 /nfs/dbraw/zinc/16/07/34/398160734.db2.gz MNDHLIBTNIBZBU-UHFFFAOYSA-N 2 0 238.379 1.615 20 0 BDADRP CC(C)[C@@H](O)C1(C[NH2+][C@H](C)CCCC[NH3+])CC1 ZINC000423020099 398160938 /nfs/dbraw/zinc/16/09/38/398160938.db2.gz YSYHMYGRVROETC-CHWSQXEVSA-N 2 0 242.407 1.891 20 0 BDADRP CC(C)CC[C@](C)(O)C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422977041 398160971 /nfs/dbraw/zinc/16/09/71/398160971.db2.gz JHJBSSPRLJYKCN-AAEUAGOBSA-N 2 0 228.380 1.371 20 0 BDADRP C[C@H](CCCc1cccnc1)[NH2+]CCC[NH3+] ZINC000415117901 398163252 /nfs/dbraw/zinc/16/32/52/398163252.db2.gz XLIRUTZASRACCS-GFCCVEGCSA-N 2 0 221.348 1.731 20 0 BDADRP COCC1(C[NH2+]CC2CC[NH+](C)CC2)CCC1 ZINC000380110816 398187371 /nfs/dbraw/zinc/18/73/71/398187371.db2.gz ZMFIHGMQCHYCTF-UHFFFAOYSA-N 2 0 240.391 1.735 20 0 BDADRP CCC(CC)C[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000169125852 488171035 /nfs/dbraw/zinc/17/10/35/488171035.db2.gz GNXKKLAWUVXWDC-PWSUYJOCSA-N 2 0 214.353 1.471 20 0 BDADRP O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647795766 398194430 /nfs/dbraw/zinc/19/44/30/398194430.db2.gz VTQWNBJXWFEQSZ-ODXJTPSBSA-N 2 0 238.375 1.268 20 0 BDADRP C[C@@H]1OCC[N@H+](CCCC2CC[NH2+]CC2)[C@H]1C ZINC000380588365 398201418 /nfs/dbraw/zinc/20/14/18/398201418.db2.gz SCBNHUFZRDZPPM-STQMWFEESA-N 2 0 240.391 1.875 20 0 BDADRP Cc1cc(N2CC[C@H]([NH+]3CC=CC3)C2)cc[nH+]1 ZINC000274898549 178119524 /nfs/dbraw/zinc/11/95/24/178119524.db2.gz KRCOKSBRCRXYHQ-AWEZNQCLSA-N 2 0 229.327 1.841 20 0 BDADRP c1nc(C[NH2+]CC2CC[NH+](C3CC3)CC2)co1 ZINC000446887357 201700398 /nfs/dbraw/zinc/70/03/98/201700398.db2.gz RNAQVTRMCQVHGX-UHFFFAOYSA-N 2 0 235.331 1.639 20 0 BDADRP C[N@H+](C[C@H](O)C[NH3+])C[C@@H]1CCCC(C)(C)C1 ZINC000576368570 365579993 /nfs/dbraw/zinc/57/99/93/365579993.db2.gz AZUFOLSIVXYRQC-VXGBXAGGSA-N 2 0 228.380 1.454 20 0 BDADRP CCC[C@@H](C[NH2+]CCCC[NH+](C)C)OC ZINC000386532693 398211804 /nfs/dbraw/zinc/21/18/04/398211804.db2.gz AYQCZNQAMXCNMP-LBPRGKRZSA-N 2 0 216.369 1.733 20 0 BDADRP CC[N@@H+]1CC[C@H](N(C)C[C@@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000649413774 398212265 /nfs/dbraw/zinc/21/22/65/398212265.db2.gz CNNHBELQXNEWFO-MCIONIFRSA-N 2 0 239.407 1.258 20 0 BDADRP Cc1cc(C)n(CCN(C)[C@@H](C[NH3+])C2CC2)n1 ZINC000386797276 398220382 /nfs/dbraw/zinc/22/03/82/398220382.db2.gz PKOGGPNSSULPID-ZDUSSCGKSA-N 2 0 236.363 1.169 20 0 BDADRP Cc1cc(C)n(CC[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)n1 ZINC000386809865 398220544 /nfs/dbraw/zinc/22/05/44/398220544.db2.gz RPIGLNPZVMFZJJ-MFKMUULPSA-N 2 0 236.363 1.169 20 0 BDADRP CCC(CC)C[N@H+](CC)CCN1CC[NH2+]CC1 ZINC000042317395 168348363 /nfs/dbraw/zinc/34/83/63/168348363.db2.gz DTZBPXPBLWTVSS-UHFFFAOYSA-N 2 0 241.423 1.650 20 0 BDADRP Cc1cc(N[C@H]2CCC[C@H]2C[NH3+])cc[nH+]1 ZINC000229576018 178189251 /nfs/dbraw/zinc/18/92/51/178189251.db2.gz GZCSCSBCYAORAB-JQWIXIFHSA-N 2 0 205.305 1.929 20 0 BDADRP Cc1cn[nH]c1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421366092 192333687 /nfs/dbraw/zinc/33/36/87/192333687.db2.gz COCSJZZZBUUEHT-UHFFFAOYSA-N 2 0 236.363 1.681 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H]2CCOC2)c2ccccc21 ZINC000252792394 136227085 /nfs/dbraw/zinc/22/70/85/136227085.db2.gz VLIBFBLATPZYFO-LERXQTSPSA-N 2 0 232.327 1.757 20 0 BDADRP COCC[C@@H](C)[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000576475717 365606092 /nfs/dbraw/zinc/60/60/92/365606092.db2.gz LBPNVGYGOVTSFM-VXGBXAGGSA-N 2 0 237.347 1.634 20 0 BDADRP COCC[C@H](C)[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000576475716 365606574 /nfs/dbraw/zinc/60/65/74/365606574.db2.gz LBPNVGYGOVTSFM-RYUDHWBXSA-N 2 0 237.347 1.634 20 0 BDADRP CO[C@@H](C)C[N@H+](C[C@H]1CC[NH2+]C1)C(C)C ZINC000390818952 398250777 /nfs/dbraw/zinc/25/07/77/398250777.db2.gz RZJKQILOYBMZDU-RYUDHWBXSA-N 2 0 214.353 1.341 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CC(C)(C)C(C)(C)O ZINC000393700442 398251846 /nfs/dbraw/zinc/25/18/46/398251846.db2.gz SVNXMVRCVUIDOS-NSHDSACASA-N 2 0 246.395 1.127 20 0 BDADRP CC[C@H]1CN(Cc2ccon2)CC[C@@H]1[NH3+] ZINC000381346705 398253629 /nfs/dbraw/zinc/25/36/29/398253629.db2.gz ZHKVVEMFBDLFAD-ONGXEEELSA-N 2 0 209.293 1.234 20 0 BDADRP COc1cc(C)nc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000168886703 538946275 /nfs/dbraw/zinc/94/62/75/538946275.db2.gz VCTRMASHTYLBAU-VXGBXAGGSA-N 2 0 247.342 1.050 20 0 BDADRP C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000381543974 398262411 /nfs/dbraw/zinc/26/24/11/398262411.db2.gz JIIGLTRAFJCVOM-UPJWGTAASA-N 2 0 208.349 1.718 20 0 BDADRP COCC[NH2+]C1CC[NH+](C[C@H]2C[C@H]2C)CC1 ZINC000565060451 323009363 /nfs/dbraw/zinc/00/93/63/323009363.db2.gz JHQKIPMFVMBBNH-VXGBXAGGSA-N 2 0 226.364 1.343 20 0 BDADRP CCOCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000036228515 538959106 /nfs/dbraw/zinc/95/91/06/538959106.db2.gz WNCDDVGOGYZGAB-NSHDSACASA-N 2 0 214.353 1.343 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]CC2(CO)CCC2)CC1 ZINC000183231856 538966139 /nfs/dbraw/zinc/96/61/39/538966139.db2.gz YFJZVNXBKOYTSD-UHFFFAOYSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1ccn(C)c1 ZINC000335605771 136236438 /nfs/dbraw/zinc/23/64/38/136236438.db2.gz JLAWLEAGYJFZEX-PWSUYJOCSA-N 2 0 207.321 1.065 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCCOC1)C1CC[NH+](C)CC1 ZINC000038044625 538964822 /nfs/dbraw/zinc/96/48/22/538964822.db2.gz OUVONYKKENEZOV-CHWSQXEVSA-N 2 0 240.391 1.733 20 0 BDADRP CC[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000336552487 342809673 /nfs/dbraw/zinc/80/96/73/342809673.db2.gz NJABPRGQDXNBJZ-UHFFFAOYSA-N 2 0 239.407 1.497 20 0 BDADRP [NH3+][C@@H]1[C@@H]2Cc3c(cccc3C3=CC[NH2+]CC3)[C@H]12 ZINC000630052924 361922234 /nfs/dbraw/zinc/92/22/34/361922234.db2.gz ZZYBAGDEQDJFRI-QLFBSQMISA-N 2 0 226.323 1.660 20 0 BDADRP COC[C@@H](C)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000045657222 538992869 /nfs/dbraw/zinc/99/28/69/538992869.db2.gz TXMKDGJGJMUNIJ-RYUDHWBXSA-N 2 0 228.380 1.589 20 0 BDADRP CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000381479043 539001868 /nfs/dbraw/zinc/00/18/68/539001868.db2.gz RZLPJVYCFNNJJS-WOPDTQHZSA-N 2 0 228.380 1.730 20 0 BDADRP CO[C@@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)C(C)C ZINC000381779054 539006832 /nfs/dbraw/zinc/00/68/32/539006832.db2.gz KVPRNAUKRZSZFX-OCCSQVGLSA-N 2 0 242.407 1.977 20 0 BDADRP C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)[C@H]1CCCCO1 ZINC000390310888 539020732 /nfs/dbraw/zinc/02/07/32/539020732.db2.gz FWKQWDOFEUJTMM-RWMBFGLXSA-N 2 0 224.348 1.097 20 0 BDADRP Cc1n[nH]cc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335632692 136241416 /nfs/dbraw/zinc/24/14/16/136241416.db2.gz IONBJLKQMMHLOA-CHWSQXEVSA-N 2 0 248.374 1.540 20 0 BDADRP Cn1nccc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000335634218 136241683 /nfs/dbraw/zinc/24/16/83/136241683.db2.gz NSQXKOAFABTUCH-STQMWFEESA-N 2 0 248.374 1.242 20 0 BDADRP c1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccn1 ZINC000335634100 136241791 /nfs/dbraw/zinc/24/17/91/136241791.db2.gz MFWBZADRNJSCRE-CABCVRRESA-N 2 0 245.370 1.903 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCO2)CC[N@@H+]1C ZINC000248057238 323015945 /nfs/dbraw/zinc/01/59/45/323015945.db2.gz XNDPVXOEVNKIOQ-IJLUTSLNSA-N 2 0 212.337 1.238 20 0 BDADRP C[C@H](O)C[C@H](C)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248159250 323016398 /nfs/dbraw/zinc/01/63/98/323016398.db2.gz RWEZERINVUKHGS-CYDGBPFRSA-N 2 0 228.380 1.466 20 0 BDADRP C[C@H]1CC[C@@H]([NH2+]C2CCN(CCO)CC2)C1 ZINC000309779312 342895755 /nfs/dbraw/zinc/89/57/55/342895755.db2.gz MMVASZNSTJYOQI-WCQYABFASA-N 2 0 226.364 1.221 20 0 BDADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[N@H+](C)[C@H](C)CC ZINC000300408857 529417064 /nfs/dbraw/zinc/41/70/64/529417064.db2.gz CRJKPTLMDMLVAO-UTUOFQBUSA-N 2 0 243.395 1.206 20 0 BDADRP C[N@@H+]1CCC[C@@H]2CN(CCn3ccnc3)CC[C@@H]21 ZINC000162290302 349644984 /nfs/dbraw/zinc/64/49/84/349644984.db2.gz OVOMDPKRDOYILN-KGLIPLIRSA-N 2 0 248.374 1.299 20 0 BDADRP C[N@@H+]1CCN(CC[NH2+]CC2(F)CC2)CC1(C)C ZINC000562457037 323020584 /nfs/dbraw/zinc/02/05/84/323020584.db2.gz TUDJLUHUUIMGKX-UHFFFAOYSA-N 2 0 243.370 1.104 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+]C1CCOCC1 ZINC000049553904 398332514 /nfs/dbraw/zinc/33/25/14/398332514.db2.gz QEDANEHXOFXLHV-JTQLQIEISA-N 2 0 200.326 1.095 20 0 BDADRP CCOC[C@@H]1CCCC[N@@H+]1CCC[NH3+] ZINC000313231856 259331575 /nfs/dbraw/zinc/33/15/75/259331575.db2.gz NYGKGTSKSYROTR-NSHDSACASA-N 2 0 200.326 1.226 20 0 BDADRP C[C@H](C(=O)NCC(C)(C)[NH3+])[NH+]1CCCCCC1 ZINC000237391371 398333856 /nfs/dbraw/zinc/33/38/56/398333856.db2.gz HPDFLLXBQNOWRC-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP C(C1CC1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000037916575 398335248 /nfs/dbraw/zinc/33/52/48/398335248.db2.gz UEOSLVOQZQCYDK-CHWSQXEVSA-N 2 0 208.349 1.860 20 0 BDADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000576814741 365691136 /nfs/dbraw/zinc/69/11/36/365691136.db2.gz UQDJQPVNNFRQLM-RISCZKNCSA-N 2 0 237.391 1.058 20 0 BDADRP CC[N@H+](CC[C@H]1CCC[NH+]1C)C[C@@H]1CCOC1 ZINC000678073241 488192083 /nfs/dbraw/zinc/19/20/83/488192083.db2.gz OGYTXIUZDUWFEF-UONOGXRCSA-N 2 0 240.391 1.829 20 0 BDADRP c1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc1 ZINC000042172319 342995489 /nfs/dbraw/zinc/99/54/89/342995489.db2.gz LYQNWMAHFTZPFM-CYBMUJFWSA-N 2 0 204.317 1.918 20 0 BDADRP CN1CCO[C@H](CSC[C@H]2CC[N@H+](C)C2)C1 ZINC000518183726 259338413 /nfs/dbraw/zinc/33/84/13/259338413.db2.gz LMADOBUQPMJMSO-RYUDHWBXSA-N 2 0 244.404 1.002 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](CO)c2ccccc2)C1 ZINC000236310882 343091774 /nfs/dbraw/zinc/09/17/74/343091774.db2.gz RNWAUZMOAOMUHV-HZSPNIEDSA-N 2 0 234.343 1.580 20 0 BDADRP [NH3+]CCC[NH2+][C@H]1CCCc2cccnc21 ZINC000085789582 488204897 /nfs/dbraw/zinc/20/48/97/488204897.db2.gz LLSWMPUWNIJUQP-NSHDSACASA-N 2 0 205.305 1.397 20 0 BDADRP C[C@@H](C[NH3+])N(C)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000237418439 343138651 /nfs/dbraw/zinc/13/86/51/343138651.db2.gz GPBPYFHCZNNXFJ-WCQYABFASA-N 2 0 249.358 1.272 20 0 BDADRP Cc1ccc(O)c(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)n1 ZINC000131427375 343183980 /nfs/dbraw/zinc/18/39/80/343183980.db2.gz FBOFILPEWOWKMQ-QWRGUYRKSA-N 2 0 235.331 1.407 20 0 BDADRP C[C@@H](C(=O)NCCCC[NH3+])[C@H]([NH3+])c1ccccc1 ZINC000131715189 343184536 /nfs/dbraw/zinc/18/45/36/343184536.db2.gz WMJUDLLDUDTSIH-YPMHNXCESA-N 2 0 249.358 1.178 20 0 BDADRP COCC1([NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)CCCC1 ZINC000576958033 365733934 /nfs/dbraw/zinc/73/39/34/365733934.db2.gz YAQFAPZHDBFXSZ-CHWSQXEVSA-N 2 0 240.391 1.923 20 0 BDADRP COCC1([NH2+]C[C@H]2CC[NH2+][C@H](C)C2)CCCC1 ZINC000576958034 365734092 /nfs/dbraw/zinc/73/40/92/365734092.db2.gz YAQFAPZHDBFXSZ-OLZOCXBDSA-N 2 0 240.391 1.923 20 0 BDADRP C[NH+]1CCC(CC[NH2+]CC(C)(C)O)CC1 ZINC000125142191 343165556 /nfs/dbraw/zinc/16/55/56/343165556.db2.gz CESQVEZVLCJUPI-UHFFFAOYSA-N 2 0 214.353 1.079 20 0 BDADRP C[C@@H](O)[C@@H](C)[NH2+]CCC1CC[NH+](C)CC1 ZINC000125164556 343166085 /nfs/dbraw/zinc/16/60/85/343166085.db2.gz YHKRNXPGDIMGAE-GHMZBOCLSA-N 2 0 214.353 1.077 20 0 BDADRP C[C@H]1C[C@@H]([NH3+])CCN1Cc1cccc(O)c1 ZINC000168849680 343210616 /nfs/dbraw/zinc/21/06/16/343210616.db2.gz MODTZMYBIHXRTG-JQWIXIFHSA-N 2 0 220.316 1.704 20 0 BDADRP Cc1cc[nH+]c(NCC[C@@H]2CC[NH2+]C2)c1 ZINC000082487688 136276607 /nfs/dbraw/zinc/27/66/07/136276607.db2.gz QKTBFPIGWNDNFF-NSHDSACASA-N 2 0 205.305 1.802 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCO[C@@H]2C)CC1 ZINC000134052378 343186967 /nfs/dbraw/zinc/18/69/67/343186967.db2.gz GPVNBOGEFHLFAJ-DGCLKSJQSA-N 2 0 226.364 1.485 20 0 BDADRP C[NH2+]CCC[N@H+](C)C1Cc2ccccc2C1 ZINC000087472158 136281491 /nfs/dbraw/zinc/28/14/91/136281491.db2.gz AJQGJKVKQAACBH-UHFFFAOYSA-N 2 0 218.344 1.695 20 0 BDADRP CCC[N@H+](CCCF)C1CC[NH2+]CC1 ZINC000088026314 136283918 /nfs/dbraw/zinc/28/39/18/136283918.db2.gz ULJFEWONYIJGOO-UHFFFAOYSA-N 2 0 202.317 1.810 20 0 BDADRP CC[C@H]1CCCC[N@@H+]1C[C@@H]1CNCCO1 ZINC000043802128 488209090 /nfs/dbraw/zinc/20/90/90/488209090.db2.gz RGXQBLSODLNOHG-RYUDHWBXSA-N 2 0 212.337 1.239 20 0 BDADRP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000037042476 343331718 /nfs/dbraw/zinc/33/17/18/343331718.db2.gz VVKQVJFXUNTBFV-CYBMUJFWSA-N 2 0 247.342 1.439 20 0 BDADRP C[C@H]1CCNC[C@@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000335636504 136301178 /nfs/dbraw/zinc/30/11/78/136301178.db2.gz MBSJGRGYVAYKSC-WTIISPKJSA-N 2 0 225.380 1.092 20 0 BDADRP C[NH+](C)[C@H](CNC(=O)CCC[NH3+])c1ccccc1 ZINC000040802223 343409536 /nfs/dbraw/zinc/40/95/36/343409536.db2.gz ADRJTABRPLGTCE-CYBMUJFWSA-N 2 0 249.358 1.144 20 0 BDADRP CC[N@H+](CCC[NH+](C)C)CC[C@H]1CCOC1 ZINC000349383255 136344192 /nfs/dbraw/zinc/34/41/92/136344192.db2.gz KOFKXEYWIYNCAF-ZDUSSCGKSA-N 2 0 228.380 1.687 20 0 BDADRP CCC[N@H+](C[C@@H](O)CN(C)CC)C(C)C ZINC000379930487 365743261 /nfs/dbraw/zinc/74/32/61/365743261.db2.gz VXIMJFZKMHSULQ-LBPRGKRZSA-N 2 0 216.369 1.419 20 0 BDADRP CO[C@H](C)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000167125800 136368130 /nfs/dbraw/zinc/36/81/30/136368130.db2.gz SIUSUDKEISOSDJ-IJLUTSLNSA-N 2 0 212.337 1.238 20 0 BDADRP CCOCCC[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000083551672 343490095 /nfs/dbraw/zinc/49/00/95/343490095.db2.gz OQNOJFUZVYHXNA-LBPRGKRZSA-N 2 0 214.353 1.344 20 0 BDADRP [NH3+]CCN1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000084014247 343513591 /nfs/dbraw/zinc/51/35/91/343513591.db2.gz GRRABQLVJPWXAY-CYBMUJFWSA-N 2 0 222.307 1.791 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000310533194 343527636 /nfs/dbraw/zinc/52/76/36/343527636.db2.gz ONNNGKYBOGMUMO-REWJHTLYSA-N 2 0 242.407 1.713 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC(C)(C)CC1 ZINC000310566402 343538395 /nfs/dbraw/zinc/53/83/95/343538395.db2.gz XSCLNBFGLDAROF-ZDUSSCGKSA-N 2 0 242.407 1.811 20 0 BDADRP Cc1nc(C[NH+]2CCC(C[NH3+])CC2)oc1C ZINC000044513339 343504912 /nfs/dbraw/zinc/50/49/12/343504912.db2.gz SUJAAXWRRAOFGE-UHFFFAOYSA-N 2 0 223.320 1.462 20 0 BDADRP C[C@@H]([NH2+]CCC[NH3+])c1cc(F)cc(F)c1 ZINC000087282699 343642316 /nfs/dbraw/zinc/64/23/16/343642316.db2.gz XTPGQXMNIVIJBA-MRVPVSSYSA-N 2 0 214.259 1.964 20 0 BDADRP C[C@H](CO[C@@H]1CCOC1)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000580580366 365790563 /nfs/dbraw/zinc/79/05/63/365790563.db2.gz AQHIBLMTDOKWFL-FVCCEPFGSA-N 2 0 242.363 1.040 20 0 BDADRP CC[NH+](CC)CC1CC[NH+](CCOC)CC1 ZINC000047973109 343679165 /nfs/dbraw/zinc/67/91/65/343679165.db2.gz PPXNFPKZIGJYIS-UHFFFAOYSA-N 2 0 228.380 1.687 20 0 BDADRP CCOCCC[N@@H+]1CCc2nc[nH]c2C1 ZINC000625436211 343733817 /nfs/dbraw/zinc/73/38/17/343733817.db2.gz DGRMDOPSDBVQAD-UHFFFAOYSA-N 2 0 209.293 1.194 20 0 BDADRP CC(C)[C@@H](CO)C[NH2+][C@H](C)CCCC[NH3+] ZINC000394061579 343711619 /nfs/dbraw/zinc/71/16/19/343711619.db2.gz ZHDPBSNKSNOPMB-VXGBXAGGSA-N 2 0 216.369 1.358 20 0 BDADRP CC(C)[N@@H+](C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000262753970 349863169 /nfs/dbraw/zinc/86/31/69/349863169.db2.gz OEAUQWQCVKNWER-NWDGAFQWSA-N 2 0 241.379 1.055 20 0 BDADRP FC[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000218546920 343793167 /nfs/dbraw/zinc/79/31/67/343793167.db2.gz LDLNCQATVFWQEP-SNVBAGLBSA-N 2 0 200.301 1.420 20 0 BDADRP CC(C)[C@@H]1CC[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000336662374 537818439 /nfs/dbraw/zinc/81/84/39/537818439.db2.gz KFYYPKHPFZBGOF-QWHCGFSZSA-N 2 0 228.380 1.589 20 0 BDADRP CCn1cc(CC[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cn1 ZINC000621775571 343899964 /nfs/dbraw/zinc/89/99/64/343899964.db2.gz SAPPDESVNQCIMK-WCQYABFASA-N 2 0 236.363 1.115 20 0 BDADRP COCC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621782928 343904603 /nfs/dbraw/zinc/90/46/03/343904603.db2.gz UZMFPIIKNPWEJW-SDDRHHMPSA-N 2 0 212.337 1.225 20 0 BDADRP COCC[C@H](C)[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621782930 343904759 /nfs/dbraw/zinc/90/47/59/343904759.db2.gz UZMFPIIKNPWEJW-TUAOUCFPSA-N 2 0 212.337 1.225 20 0 BDADRP C[C@@H]1CSCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000070543629 343952485 /nfs/dbraw/zinc/95/24/85/343952485.db2.gz LWRKTBUTIHNXKT-NXEZZACHSA-N 2 0 200.351 1.033 20 0 BDADRP CC[C@@H]([NH3+])C(=O)Nc1ccccc1C[NH2+]C ZINC000129073090 343961987 /nfs/dbraw/zinc/96/19/87/343961987.db2.gz NNLQILMQVBJGQR-SNVBAGLBSA-N 2 0 221.304 1.082 20 0 BDADRP CC(C)[C@H](C[NH3+])C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733532 344113286 /nfs/dbraw/zinc/11/32/86/344113286.db2.gz HMUPIXVRVMAEJG-CHWSQXEVSA-N 3 0 241.423 1.585 20 0 BDADRP C[C@H](CN[C@H]1CC[N@H+](C)C[C@H]1C)[NH+](C)C1CC1 ZINC000130943962 344225546 /nfs/dbraw/zinc/22/55/46/344225546.db2.gz ZGMDOTDAWXQROL-BZPMIXESSA-N 2 0 239.407 1.399 20 0 BDADRP C[NH2+]CC1CC[NH+](CCCCC(=O)OC)CC1 ZINC000600703882 344359640 /nfs/dbraw/zinc/35/96/40/344359640.db2.gz MNBIDSRYYMLLKX-UHFFFAOYSA-N 2 0 242.363 1.261 20 0 BDADRP COC(=O)CCCCN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000600712651 344361530 /nfs/dbraw/zinc/36/15/30/344361530.db2.gz ZFRXEBWATUKGSS-NWDGAFQWSA-N 2 0 240.347 1.014 20 0 BDADRP CC[NH+]1CCC([NH2+]CCOC(C)C)CC1 ZINC000132729722 344307310 /nfs/dbraw/zinc/30/73/10/344307310.db2.gz VQBAHEDNKSWFSR-UHFFFAOYSA-N 2 0 214.353 1.485 20 0 BDADRP Cc1nc(CN2CC[C@@H](c3nccn3C)C2)no1 ZINC000533865079 344431010 /nfs/dbraw/zinc/43/10/10/344431010.db2.gz HGUOFGTUVBQZIF-SNVBAGLBSA-N 2 0 247.302 1.101 20 0 BDADRP Cc1cc(N[C@@H]2CCC[NH2+]CC2)nc(C2CC2)n1 ZINC000634813724 344399195 /nfs/dbraw/zinc/39/91/95/344399195.db2.gz VUGUMBPLABGEIP-GFCCVEGCSA-N 2 0 246.358 1.638 20 0 BDADRP Cc1nn(C)cc1C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000566230238 344480662 /nfs/dbraw/zinc/48/06/62/344480662.db2.gz UMTRVOSAVGSIOT-UHFFFAOYSA-N 2 0 244.342 1.477 20 0 BDADRP Cc1ccc(CC[NH2+][C@@H]2CN(C)C[C@@H]2C)o1 ZINC000381271193 344487535 /nfs/dbraw/zinc/48/75/35/344487535.db2.gz VPUZHQUTTHAYPK-GXFFZTMASA-N 2 0 222.332 1.670 20 0 BDADRP CC(C)C[C@@H]([NH3+])c1noc(C[C@@H]2CCC[NH2+]2)n1 ZINC000577512177 344534276 /nfs/dbraw/zinc/53/42/76/344534276.db2.gz LWCIEKDDSJYBOT-VHSXEESVSA-N 2 0 238.335 1.410 20 0 BDADRP CCCCOCCN1CCCC[C@@H]1C[NH3+] ZINC000044387189 344539712 /nfs/dbraw/zinc/53/97/12/344539712.db2.gz DSXOIFQQRSRMIZ-GFCCVEGCSA-N 2 0 214.353 1.616 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CCO1 ZINC000388726919 347068069 /nfs/dbraw/zinc/06/80/69/347068069.db2.gz OHTGEHGETCIJNB-AAVRWANBSA-N 2 0 240.391 1.909 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+]CC[C@H]2CCOC2)CC1 ZINC000400603044 530048337 /nfs/dbraw/zinc/04/83/37/530048337.db2.gz UCXQKRIYSLCHAC-ZDUSSCGKSA-N 2 0 240.391 1.735 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+]CC[C@@H]2CCOC2)CC1 ZINC000400603043 530048491 /nfs/dbraw/zinc/04/84/91/530048491.db2.gz UCXQKRIYSLCHAC-CYBMUJFWSA-N 2 0 240.391 1.735 20 0 BDADRP Cc1c[nH]c(CN2CCC[C@@H]2C[NH+]2CCCC2)n1 ZINC000628156367 344848372 /nfs/dbraw/zinc/84/83/72/344848372.db2.gz MMUMIMMYWHWTHD-CYBMUJFWSA-N 2 0 248.374 1.778 20 0 BDADRP Cc1c[nH]c(CN2CC[N@@H+]3CCCC[C@H]3C2)n1 ZINC000628157098 344851429 /nfs/dbraw/zinc/85/14/29/344851429.db2.gz UUIIPEKFKSYMSF-LBPRGKRZSA-N 2 0 234.347 1.388 20 0 BDADRP Nc1cccc(CN2CC3CCC2(C[NH3+])CC3)c1 ZINC000583392068 344875575 /nfs/dbraw/zinc/87/55/75/344875575.db2.gz SNBGKTIMBVWGJS-UHFFFAOYSA-N 2 0 245.370 1.972 20 0 BDADRP CN(CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000583391711 344877708 /nfs/dbraw/zinc/87/77/08/344877708.db2.gz DLCODUPQGSQOCF-ZIAGYGMSSA-N 2 0 247.386 1.982 20 0 BDADRP CC[NH+](CC)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000155117487 345068216 /nfs/dbraw/zinc/06/82/16/345068216.db2.gz AFXJRNSVGJQFCS-GFCCVEGCSA-N 2 0 243.395 1.031 20 0 BDADRP C[NH+](C)C1CC([NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000634985027 345169123 /nfs/dbraw/zinc/16/91/23/345169123.db2.gz IZXRGDWLIFDBPV-VOMCLLRMSA-N 2 0 226.364 1.626 20 0 BDADRP C([C@H]1CCCN1CC12CC(C1)C[NH2+]2)[NH+]1CCCC1 ZINC000634992235 345179729 /nfs/dbraw/zinc/17/97/29/345179729.db2.gz IURXPRXCTQRDHJ-SHARSMKWSA-N 2 0 249.402 1.299 20 0 BDADRP C(N1CCC[C@H]([NH+]2CCCC2)C1)C12CC(C1)C[NH2+]2 ZINC000634992269 345180224 /nfs/dbraw/zinc/18/02/24/345180224.db2.gz JOZLXRIWVDBUBM-SLTAFYQDSA-N 2 0 249.402 1.299 20 0 BDADRP COc1ccccc1CCNCC12CC(C1)C[NH2+]2 ZINC000634995303 345184423 /nfs/dbraw/zinc/18/44/23/345184423.db2.gz AESUEEJMFKNKMS-UHFFFAOYSA-N 2 0 246.354 1.579 20 0 BDADRP Cc1noc(C)c1CCNCC12CC(C1)C[NH2+]2 ZINC000634995402 345184580 /nfs/dbraw/zinc/18/45/80/345184580.db2.gz CUPVOBWQXLEIDM-UHFFFAOYSA-N 2 0 235.331 1.176 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156154923 345133262 /nfs/dbraw/zinc/13/32/62/345133262.db2.gz ZCPWBDBCAZWYII-MGPQQGTHSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1C ZINC000156264824 345143232 /nfs/dbraw/zinc/14/32/32/345143232.db2.gz YNPXCVUJEZCOCF-JHJVBQTASA-N 2 0 237.391 1.295 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccon2)CC1 ZINC000634975107 345151181 /nfs/dbraw/zinc/15/11/81/345151181.db2.gz RHMVKLFTAYUQOS-UHFFFAOYSA-N 2 0 223.320 1.496 20 0 BDADRP C[C@H](CO)N(CC1CCC1)CC12CC(C1)C[NH2+]2 ZINC000634996722 345191716 /nfs/dbraw/zinc/19/17/16/345191716.db2.gz RYAHGDANTDRBCP-LMWSTFAQSA-N 2 0 238.375 1.221 20 0 BDADRP C(N1CC[C@H](C2CC2)C1)C12CC(C1)C[NH2+]2 ZINC000634994112 345192805 /nfs/dbraw/zinc/19/28/05/345192805.db2.gz QUWRKWJOZOBUHJ-YDGIUTOCSA-N 2 0 206.333 1.470 20 0 BDADRP CC(C)[C@H](C[NH3+])CN1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000634997670 345193341 /nfs/dbraw/zinc/19/33/41/345193341.db2.gz QEWXQWOXVFHYQF-UPJWGTAASA-N 3 0 225.380 1.031 20 0 BDADRP C[C@]1(C[NH2+][C@H]2CCCC23CC3)CC[NH2+]C1 ZINC000634997175 345194501 /nfs/dbraw/zinc/19/45/01/345194501.db2.gz FGCAIXLPXLDGTI-RYUDHWBXSA-N 2 0 208.349 1.908 20 0 BDADRP C[C@@]1(C[NH2+][C@@H]2CCCC23CC3)CC[NH2+]C1 ZINC000634997176 345194773 /nfs/dbraw/zinc/19/47/73/345194773.db2.gz FGCAIXLPXLDGTI-VXGBXAGGSA-N 2 0 208.349 1.908 20 0 BDADRP C[C@@]1(C[NH2+][C@H]2CCCC23CC3)CC[NH2+]C1 ZINC000634997174 345194778 /nfs/dbraw/zinc/19/47/78/345194778.db2.gz FGCAIXLPXLDGTI-NWDGAFQWSA-N 2 0 208.349 1.908 20 0 BDADRP CCn1cc(CN2CCCCC[C@H]([NH3+])C2)cn1 ZINC000634997362 345195604 /nfs/dbraw/zinc/19/56/04/345195604.db2.gz JPNHSNFBUURSFE-ZDUSSCGKSA-N 2 0 236.363 1.606 20 0 BDADRP COc1ccccc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000635000148 345201865 /nfs/dbraw/zinc/20/18/65/345201865.db2.gz ICFHSHMHMGJWRE-DGCLKSJQSA-N 2 0 234.343 1.722 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)[C@H](C)O1 ZINC000635001078 345202611 /nfs/dbraw/zinc/20/26/11/345202611.db2.gz FSYPSDSPROFZSF-KSSYENDESA-N 2 0 226.364 1.530 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC(C)(C)F ZINC000635003079 345205451 /nfs/dbraw/zinc/20/54/51/345205451.db2.gz FQUDKYZYBFJTDW-VHSXEESVSA-N 2 0 202.317 1.712 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCC12CC2 ZINC000635003435 345206289 /nfs/dbraw/zinc/20/62/89/345206289.db2.gz JNTGRGLTHSJBLU-VXGBXAGGSA-N 2 0 226.364 1.663 20 0 BDADRP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CCO1 ZINC000635003817 345207103 /nfs/dbraw/zinc/20/71/03/345207103.db2.gz FMRDPCDNPLLNJT-CYDGBPFRSA-N 2 0 226.364 1.661 20 0 BDADRP CC(C)(F)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000635003956 345207144 /nfs/dbraw/zinc/20/71/44/345207144.db2.gz MQLFONHUHHVYNO-GMTAPVOTSA-N 2 0 214.328 1.712 20 0 BDADRP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)c2nccn21 ZINC000635004338 345207663 /nfs/dbraw/zinc/20/76/63/345207663.db2.gz HZZJJZWDVMGKDU-ZDEQEGDKSA-N 2 0 248.374 1.996 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000635004904 345208288 /nfs/dbraw/zinc/20/82/88/345208288.db2.gz RECMRUVKUHHTKI-XQQFMLRXSA-N 2 0 228.380 1.515 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000635004902 345208313 /nfs/dbraw/zinc/20/83/13/345208313.db2.gz RECMRUVKUHHTKI-JHJVBQTASA-N 2 0 228.380 1.515 20 0 BDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635004779 345208365 /nfs/dbraw/zinc/20/83/65/345208365.db2.gz FJCHVZOQROEJOS-LPWJVIDDSA-N 2 0 225.380 1.044 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@H]1N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635007129 345211417 /nfs/dbraw/zinc/21/14/17/345211417.db2.gz ADTYDHRGEOJVPH-JHJVBQTASA-N 2 0 239.407 1.304 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000635006584 345211426 /nfs/dbraw/zinc/21/14/26/345211426.db2.gz ZIMJXJHDRYRTSR-AGIUHOORSA-N 2 0 228.380 1.787 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+]CC[C@H]([NH3+])Cc1ccccc1 ZINC000635010421 345212606 /nfs/dbraw/zinc/21/26/06/345212606.db2.gz ZXIGGBAUOITVPX-QEJZJMRPSA-N 2 0 248.370 1.714 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000635010786 345212712 /nfs/dbraw/zinc/21/27/12/345212712.db2.gz BEFRGAMIYPRDBO-UYXSQOIJSA-N 2 0 222.254 1.654 20 0 BDADRP CC(C)OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000635011424 345213917 /nfs/dbraw/zinc/21/39/17/345213917.db2.gz FTPYMIZQJUEXGR-FOSCPWQOSA-N 2 0 212.337 1.284 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)[C@H](C)O1 ZINC000635007774 345215349 /nfs/dbraw/zinc/21/53/49/345215349.db2.gz XUQYJLJDFZSVTG-MLGHIDQZSA-N 2 0 226.364 1.659 20 0 BDADRP CC[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CCOC1 ZINC000635008236 345216297 /nfs/dbraw/zinc/21/62/97/345216297.db2.gz SMURALCTTRUBMP-AAVRWANBSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccc2c1CCOC2 ZINC000635014205 345219131 /nfs/dbraw/zinc/21/91/31/345219131.db2.gz ZBVJFMAKRVCPKK-NWDGAFQWSA-N 2 0 248.370 1.975 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cccc2c1CCOC2 ZINC000635014207 345219460 /nfs/dbraw/zinc/21/94/60/345219460.db2.gz ZBVJFMAKRVCPKK-VXGBXAGGSA-N 2 0 248.370 1.975 20 0 BDADRP CC[NH+]1CCC(N2C[C@@H](C)[C@](C)(C[NH3+])C2)CC1 ZINC000335349293 345288362 /nfs/dbraw/zinc/28/83/62/345288362.db2.gz QKVCDVPDHSAIHQ-TZMCWYRMSA-N 3 0 239.407 1.387 20 0 BDADRP C[C@H](C(=O)Nc1cccc(C[NH+](C)C)c1)[NH+](C)C ZINC000635265594 345291722 /nfs/dbraw/zinc/29/17/22/345291722.db2.gz RZCHRCFQSCCTQO-LLVKDONJSA-N 2 0 249.358 1.637 20 0 BDADRP CS[C@H](C)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000169070116 345426871 /nfs/dbraw/zinc/42/68/71/345426871.db2.gz KJTKHHLAGNVZHT-UTLUCORTSA-N 2 0 202.367 1.597 20 0 BDADRP c1ccc(COCC[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000390236117 259383544 /nfs/dbraw/zinc/38/35/44/259383544.db2.gz KRZBCQXDJAYOON-UHFFFAOYSA-N 2 0 248.370 1.792 20 0 BDADRP Cc1ccc([C@H]([NH3+])C(=O)N[C@H](C)CCC[NH3+])cc1 ZINC000295320352 178906685 /nfs/dbraw/zinc/90/66/85/178906685.db2.gz WUIPTOZBFQRTOY-YPMHNXCESA-N 2 0 249.358 1.238 20 0 BDADRP CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000662819886 537909200 /nfs/dbraw/zinc/90/92/00/537909200.db2.gz HQQJEYHJPJZLJJ-WOPDTQHZSA-N 2 0 243.395 1.240 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2ccncc2)C1 ZINC000221395761 345747262 /nfs/dbraw/zinc/74/72/62/345747262.db2.gz INIAXXHPZFQVQB-QWHCGFSZSA-N 2 0 219.332 1.689 20 0 BDADRP CC[N@@H+]1CCC[C@H](CNCc2cnc(C)o2)C1 ZINC000628210301 345811138 /nfs/dbraw/zinc/81/11/38/345811138.db2.gz PPNJTBIKWWMGOV-GFCCVEGCSA-N 2 0 237.347 1.805 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000400761737 345782717 /nfs/dbraw/zinc/78/27/17/345782717.db2.gz YIBBXKNTLTTXIN-OCCSQVGLSA-N 3 0 239.407 1.448 20 0 BDADRP CC[C@@H]1C[C@H]1C[NH2+][C@@H](CCC[NH3+])COC ZINC000387791712 347088070 /nfs/dbraw/zinc/08/80/70/347088070.db2.gz GHJDAPWIQPITIU-WOPDTQHZSA-N 2 0 214.353 1.376 20 0 BDADRP Cc1nc(CN2C[C@@H](C)[N@@H+](C)C[C@@H]2C)[nH]c1C ZINC000628240547 346202297 /nfs/dbraw/zinc/20/22/97/346202297.db2.gz JJEHKQCIBNUJSQ-ZJUUUORDSA-N 2 0 236.363 1.551 20 0 BDADRP CSC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401159322 346331914 /nfs/dbraw/zinc/33/19/14/346331914.db2.gz SFLSVNRFZOQDGB-WHOHXGKFSA-N 2 0 228.405 1.716 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CCCCO2)C1 ZINC000300368484 346432645 /nfs/dbraw/zinc/43/26/45/346432645.db2.gz RDHFROIBRZUQTD-JHJVBQTASA-N 2 0 226.364 1.805 20 0 BDADRP CCCN1CC[C@H]([NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000392771209 349962092 /nfs/dbraw/zinc/96/20/92/349962092.db2.gz WOFKOECZIPTQCD-LBPRGKRZSA-N 2 0 235.331 1.361 20 0 BDADRP Cn1cncc1CC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000641798968 362746707 /nfs/dbraw/zinc/74/67/07/362746707.db2.gz RTWNPMNIGWMLHC-YUTCNCBUSA-N 2 0 248.374 1.022 20 0 BDADRP CCC(F)(F)CN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000641800395 362751424 /nfs/dbraw/zinc/75/14/24/362751424.db2.gz XEYNLSZIUMIFBW-UWVGGRQHSA-N 2 0 220.307 1.948 20 0 BDADRP CCc1nc(C)c(CN2CCC(C)([NH3+])CC2)o1 ZINC000641800403 362751893 /nfs/dbraw/zinc/75/18/93/362751893.db2.gz ZTUGVMZJVVHGRQ-UHFFFAOYSA-N 2 0 237.347 1.859 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCOC2)C1 ZINC000070013724 349970777 /nfs/dbraw/zinc/97/07/77/349970777.db2.gz FLHPXKHEBATCSN-CHWSQXEVSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H](C[NH2+]CC1([NH3+])CCOCC1)C(C)(C)C ZINC000162940004 346543237 /nfs/dbraw/zinc/54/32/37/346543237.db2.gz MIAYQQIRASWNKH-LLVKDONJSA-N 2 0 228.380 1.766 20 0 BDADRP COC[C@H](C)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000187285843 346565412 /nfs/dbraw/zinc/56/54/12/346565412.db2.gz JFGGHWWMLBSGSR-VXGBXAGGSA-N 2 0 214.353 1.152 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000300399079 346613515 /nfs/dbraw/zinc/61/35/15/346613515.db2.gz YWENNPNZTZGLSX-SRVKXCTJSA-N 2 0 214.353 1.255 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C1CCC(C[NH3+])CC1 ZINC000580646088 365841200 /nfs/dbraw/zinc/84/12/00/365841200.db2.gz DBBNJHJGGJACNY-DMOGRIERSA-N 3 0 213.369 1.219 20 0 BDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000580715597 346678317 /nfs/dbraw/zinc/67/83/17/346678317.db2.gz LJXPUBMQUWJJNJ-HBNTYKKESA-N 2 0 243.395 1.253 20 0 BDADRP C[C@@H]1CN(Cc2ccc3c(c2)C[NH2+]CC3)CC[NH2+]1 ZINC000580654578 365848040 /nfs/dbraw/zinc/84/80/40/365848040.db2.gz VQXSEYLTOJOABS-GFCCVEGCSA-N 2 0 245.370 1.126 20 0 BDADRP CCCN(CC)CC[NH2+]C[C@H](C)COC ZINC000188080586 346740894 /nfs/dbraw/zinc/74/08/94/346740894.db2.gz SXFGCVQRCYNRTD-LBPRGKRZSA-N 2 0 216.369 1.590 20 0 BDADRP COc1ccc(CCC[N@H+](C)CCC[NH3+])cc1 ZINC000382051309 347110603 /nfs/dbraw/zinc/11/06/03/347110603.db2.gz BLLCFOWMPAPHAH-UHFFFAOYSA-N 2 0 236.359 1.908 20 0 BDADRP Cc1cccc(OCC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000107572806 179168729 /nfs/dbraw/zinc/16/87/29/179168729.db2.gz IHKDXQISHCYOOC-OKILXGFUSA-N 2 0 246.354 1.525 20 0 BDADRP Cc1ccncc1CN1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622004687 370656073 /nfs/dbraw/zinc/65/60/73/370656073.db2.gz SKUBKMSNGRGGIB-KGLIPLIRSA-N 2 0 231.343 1.703 20 0 BDADRP C[NH2+]CCCN1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000582063418 347157677 /nfs/dbraw/zinc/15/76/77/347157677.db2.gz FMFVBIPQTJPDIZ-STQMWFEESA-N 2 0 225.380 1.202 20 0 BDADRP COc1cc(C[NH+]2CCC(CC[NH3+])CC2)on1 ZINC000641821578 362772019 /nfs/dbraw/zinc/77/20/19/362772019.db2.gz LUGQFVSLOIZPSM-UHFFFAOYSA-N 2 0 239.319 1.244 20 0 BDADRP CC[NH+]1CCC(N[C@@H](C)C[N@H+](C)C(C)C)CC1 ZINC000310073757 347226365 /nfs/dbraw/zinc/22/63/65/347226365.db2.gz AIWUQYHLNQOLQS-ZDUSSCGKSA-N 2 0 241.423 1.789 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@H]2CCCCO2)C1 ZINC000250728766 362817940 /nfs/dbraw/zinc/81/79/40/362817940.db2.gz JZDLYSKDBHDECT-NWDGAFQWSA-N 2 0 212.337 1.097 20 0 BDADRP CCOCCCC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000388383156 347376131 /nfs/dbraw/zinc/37/61/31/347376131.db2.gz VBDOMIMWZLQKFZ-QWHCGFSZSA-N 2 0 228.380 1.923 20 0 BDADRP CCOCCCC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000388383158 347376319 /nfs/dbraw/zinc/37/63/19/347376319.db2.gz VBDOMIMWZLQKFZ-STQMWFEESA-N 2 0 228.380 1.923 20 0 BDADRP CC(C)OCC[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000082475169 347619648 /nfs/dbraw/zinc/61/96/48/347619648.db2.gz DFMUDOSSCRNBJS-NSHDSACASA-N 2 0 214.353 1.471 20 0 BDADRP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)nc1 ZINC000252860609 347641092 /nfs/dbraw/zinc/64/10/92/347641092.db2.gz NBEPZNVJGFLVEE-AEGPPILISA-N 2 0 245.370 1.949 20 0 BDADRP CSCC[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000591567830 347670665 /nfs/dbraw/zinc/67/06/65/347670665.db2.gz VCKVVGFDQBTGLV-AAEUAGOBSA-N 2 0 238.400 1.898 20 0 BDADRP COC(=O)c1ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])[nH]1 ZINC000592438464 347779033 /nfs/dbraw/zinc/77/90/33/347779033.db2.gz MQSXTZJTLOBOJR-BDAKNGLRSA-N 2 0 239.319 1.017 20 0 BDADRP CC(C)OC(=O)CC[NH+]1CCC(C)([NH3+])CC1 ZINC000592485173 347786541 /nfs/dbraw/zinc/78/65/41/347786541.db2.gz QBWZTSMGXHKFRN-UHFFFAOYSA-N 2 0 228.336 1.141 20 0 BDADRP COC(=O)CC1(C[NH+]2CCC(C)([NH3+])CC2)CC1 ZINC000592484403 347786562 /nfs/dbraw/zinc/78/65/62/347786562.db2.gz ATMAQFUEMSJWIV-UHFFFAOYSA-N 2 0 240.347 1.143 20 0 BDADRP CCOC(=O)CC[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000593729072 347937991 /nfs/dbraw/zinc/93/79/91/347937991.db2.gz FFQDETIWYQRYGR-NEPJUHHUSA-N 2 0 242.363 1.389 20 0 BDADRP CCn1cc(C[N@H+](C)CC[C@H]2CC[NH2+]C2)cn1 ZINC000577377715 365939085 /nfs/dbraw/zinc/93/90/85/365939085.db2.gz XMWORMKFBJQXKY-GFCCVEGCSA-N 2 0 236.363 1.334 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000577395160 365944295 /nfs/dbraw/zinc/94/42/95/365944295.db2.gz KIGGNTJHYSSIAM-XQQFMLRXSA-N 2 0 225.380 1.045 20 0 BDADRP C[C@H](C[NH2+][C@H](C)CSCCF)C[NH+](C)C ZINC000595037765 348176351 /nfs/dbraw/zinc/17/63/51/348176351.db2.gz IAGLLJGKQGYGDH-GHMZBOCLSA-N 2 0 236.400 1.865 20 0 BDADRP [NH3+][C@@H]1CCCN([C@H]2CCCSC2)C1 ZINC000251337834 362863630 /nfs/dbraw/zinc/86/36/30/362863630.db2.gz PTPCHCLMAWZAIG-ZJUUUORDSA-N 2 0 200.351 1.305 20 0 BDADRP Cc1cccnc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229088225 179374801 /nfs/dbraw/zinc/37/48/01/179374801.db2.gz GHMKYNHWJGXXBT-YPMHNXCESA-N 2 0 233.359 1.807 20 0 BDADRP Cc1cccnc1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000161862219 179375670 /nfs/dbraw/zinc/37/56/70/179375670.db2.gz YGSOIUFDHDWJGW-NWDGAFQWSA-N 2 0 219.332 1.559 20 0 BDADRP Cc1cccnc1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000162194003 179376448 /nfs/dbraw/zinc/37/64/48/179376448.db2.gz YLUCQRRMZFQBLQ-VXGBXAGGSA-N 2 0 219.332 1.559 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CC2(CO)CCC2)CC1(C)C ZINC000623490694 362916482 /nfs/dbraw/zinc/91/64/82/362916482.db2.gz STFBPSDOXZQGBN-LBPRGKRZSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@@H]([NH3+])CCC(=O)NCC[NH+]1CCCCCC1 ZINC000070317343 349993555 /nfs/dbraw/zinc/99/35/55/349993555.db2.gz QJWWPVIVAFODDX-GFCCVEGCSA-N 2 0 241.379 1.106 20 0 BDADRP CCOC[C@@H](C)[NH2+]CCN1CC[C@@H](C)C1 ZINC000309034817 323197348 /nfs/dbraw/zinc/19/73/48/323197348.db2.gz HNKWPTPBPKNUEW-VXGBXAGGSA-N 2 0 214.353 1.343 20 0 BDADRP CCC(CC)[NH2+][C@@H](CCC[NH3+])COC ZINC000232895946 535082139 /nfs/dbraw/zinc/08/21/39/535082139.db2.gz LIZFIOQMECSCMW-NSHDSACASA-N 2 0 202.342 1.519 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1C ZINC000308861148 348908510 /nfs/dbraw/zinc/90/85/10/348908510.db2.gz PGSCAWCSSWOJDW-QJPTWQEYSA-N 2 0 214.353 1.077 20 0 BDADRP CC[C@H]1C[N@H+](C)CCN1CCC[NH+](CC)CC ZINC000518706636 538016339 /nfs/dbraw/zinc/01/63/39/538016339.db2.gz QTGPYOQACSCBLX-AWEZNQCLSA-N 2 0 241.423 1.744 20 0 BDADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC[C@H](C)[NH3+])[C@@H]1C ZINC000598736044 349035686 /nfs/dbraw/zinc/03/56/86/349035686.db2.gz XEAXPEJAXKXSKK-WHOHXGKFSA-N 2 0 242.363 1.291 20 0 BDADRP C[C@H](CC1CCC1)[NH2+]CCOCC[NH+](C)C ZINC000219322543 490223429 /nfs/dbraw/zinc/22/34/29/490223429.db2.gz GDGAGQIORXJCPH-GFCCVEGCSA-N 2 0 228.380 1.733 20 0 BDADRP C[NH+](C)CCC[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421799119 192384639 /nfs/dbraw/zinc/38/46/39/192384639.db2.gz CZPADIVEHLLOJF-AWEZNQCLSA-N 2 0 247.386 1.870 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](CC[C@H]2CCCO2)C1 ZINC000250779838 349179274 /nfs/dbraw/zinc/17/92/74/349179274.db2.gz XJBOOIHAQVDJFM-VXGBXAGGSA-N 2 0 212.337 1.097 20 0 BDADRP C[N@@H+]1CCC[C@H](CN[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000250559950 349175293 /nfs/dbraw/zinc/17/52/93/349175293.db2.gz CESWUKKBVMLPFO-UPJWGTAASA-N 2 0 225.380 1.188 20 0 BDADRP CC(C)CO[C@H]1C[C@H]([NH2+]CCC[NH3+])C1(C)C ZINC000082923084 349214806 /nfs/dbraw/zinc/21/48/06/349214806.db2.gz PFOQUZRKFXBZOO-RYUDHWBXSA-N 2 0 228.380 1.765 20 0 BDADRP FC(F)COCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400942552 538035128 /nfs/dbraw/zinc/03/51/28/538035128.db2.gz DHHDLOWAEAMTNV-GMTAPVOTSA-N 2 0 248.317 1.246 20 0 BDADRP C[NH+](C)C1(CN[C@@H]2CCC[C@@H]([NH3+])C2)CCC1 ZINC000165164965 490232440 /nfs/dbraw/zinc/23/24/40/490232440.db2.gz YRVYUGGXOUBWOH-VXGBXAGGSA-N 2 0 225.380 1.330 20 0 BDADRP FC1(F)CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000530230900 323219818 /nfs/dbraw/zinc/21/98/18/323219818.db2.gz DHTMNRLORDDMDE-JTQLQIEISA-N 2 0 246.301 1.239 20 0 BDADRP CC(C)[NH2+][C@@H]1CCCN(CCn2ccnc2)C1 ZINC000071201530 490259092 /nfs/dbraw/zinc/25/90/92/490259092.db2.gz PBTXNQMHAKOXRP-CYBMUJFWSA-N 2 0 236.363 1.346 20 0 BDADRP CCN(C)C[C@@H](O)C[N@@H+]1CCC(C)(C)C1 ZINC000309020167 349305492 /nfs/dbraw/zinc/30/54/92/349305492.db2.gz UCIBYDMBKMJMBO-LLVKDONJSA-N 2 0 214.353 1.031 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@H](C)[C@H]1CCOC1 ZINC000131403993 191011758 /nfs/dbraw/zinc/01/17/58/191011758.db2.gz FOSBCYOIAIXDRD-OLZOCXBDSA-N 2 0 228.380 1.733 20 0 BDADRP CC(C)CCOCCN(C)[C@@H]1CC[NH2+]C1 ZINC000070896372 350071215 /nfs/dbraw/zinc/07/12/15/350071215.db2.gz AFIFLHITHZUVLI-GFCCVEGCSA-N 2 0 214.353 1.343 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000302378307 350083316 /nfs/dbraw/zinc/08/33/16/350083316.db2.gz SOHGIIYXDXBFGE-XQQFMLRXSA-N 2 0 240.391 1.515 20 0 BDADRP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)[C@@H]1CCOC1 ZINC000131885442 191017902 /nfs/dbraw/zinc/01/79/02/191017902.db2.gz DBSIATLKVPLMEP-VXGBXAGGSA-N 2 0 228.380 1.589 20 0 BDADRP C[C@H](NCC[N@H+](C)C1CCCCC1)C1C[NH2+]C1 ZINC000422708500 192436788 /nfs/dbraw/zinc/43/67/88/192436788.db2.gz XXEPYWXRSCMSNT-LBPRGKRZSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H]1C[C@H](NCCC[NH+](C)C)C[N@@H+]1C1CC1 ZINC000132005419 191022123 /nfs/dbraw/zinc/02/21/23/191022123.db2.gz JKVYEHQRRVTDML-RYUDHWBXSA-N 2 0 225.380 1.153 20 0 BDADRP CC(C)N(C)CC[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000133143550 191038147 /nfs/dbraw/zinc/03/81/47/191038147.db2.gz RMMWCCKUPRWNLS-VXGBXAGGSA-N 2 0 214.353 1.341 20 0 BDADRP C[NH2+]CCCNC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000422734222 192447579 /nfs/dbraw/zinc/44/75/79/192447579.db2.gz SLEINZCULAHMRJ-GFCCVEGCSA-N 2 0 241.379 1.010 20 0 BDADRP C(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)[C@@H]1CCOC1 ZINC000334278667 538063791 /nfs/dbraw/zinc/06/37/91/538063791.db2.gz POMUBUSWROSZCU-ZIAGYGMSSA-N 2 0 238.375 1.489 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@H](C)C1 ZINC000309210528 350192483 /nfs/dbraw/zinc/19/24/83/350192483.db2.gz DLCRYDDHGKTZIW-XQQFMLRXSA-N 2 0 228.380 1.277 20 0 BDADRP Cc1ncc(C[NH2+]C2CCC([NH3+])CC2)s1 ZINC000051693400 180150750 /nfs/dbraw/zinc/15/07/50/180150750.db2.gz AUPZVXCTTBKNER-UHFFFAOYSA-N 2 0 225.361 1.811 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@H]2CCCOCC2)CC1 ZINC000083425579 350205415 /nfs/dbraw/zinc/20/54/15/350205415.db2.gz QWWHIDGPJQWQIQ-CYBMUJFWSA-N 2 0 226.364 1.487 20 0 BDADRP Cc1nccn1CCCC[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000368336823 180237420 /nfs/dbraw/zinc/23/74/20/180237420.db2.gz QTNGWBFCOHUOGT-WDNDVIMCSA-N 2 0 249.358 1.142 20 0 BDADRP CC[C@@H]1C[C@H](C)C[N@@H+]1C[C@@H](O)CN(C)CC ZINC000309305995 350274259 /nfs/dbraw/zinc/27/42/59/350274259.db2.gz ZRFAOMHQWGBULA-XQQFMLRXSA-N 2 0 228.380 1.419 20 0 BDADRP c1csc(CC[NH2+]C2CC[NH2+]CC2)c1 ZINC000038040584 350302578 /nfs/dbraw/zinc/30/25/78/350302578.db2.gz GLBXFTNDAFZXEQ-UHFFFAOYSA-N 2 0 210.346 1.632 20 0 BDADRP Cc1ncsc1CN1CC[C@@H](C[NH+](C)C)C1 ZINC000271197053 180316856 /nfs/dbraw/zinc/31/68/56/180316856.db2.gz RRLHROLHPDANBC-NSHDSACASA-N 2 0 239.388 1.835 20 0 BDADRP C[C@@H](CCO)CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623535058 362954514 /nfs/dbraw/zinc/95/45/14/362954514.db2.gz LAPRSYQWWWNMRC-OLZOCXBDSA-N 2 0 242.407 1.857 20 0 BDADRP Cc1ncsc1CCN1CCCC[C@H]1C[NH3+] ZINC000050285437 180309532 /nfs/dbraw/zinc/30/95/32/180309532.db2.gz LQPHWKIVUQKZDG-NSHDSACASA-N 2 0 239.388 1.807 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](C[C@@H]2CCCC[C@H]2O)C1 ZINC000328174741 350375335 /nfs/dbraw/zinc/37/53/35/350375335.db2.gz KYHARASYVSUEKO-RWMBFGLXSA-N 2 0 226.364 1.208 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+]CC2=CCOCC2)CC1(C)C ZINC000623537309 362955902 /nfs/dbraw/zinc/95/59/02/362955902.db2.gz TWXLEKMEQDKCNN-CYBMUJFWSA-N 2 0 238.375 1.796 20 0 BDADRP Cc1ncsc1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000228063767 180318154 /nfs/dbraw/zinc/31/81/54/180318154.db2.gz ZGBKOQSKFZYPSI-PSASIEDQSA-N 2 0 225.361 1.621 20 0 BDADRP Cc1ncsc1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000126753914 180319110 /nfs/dbraw/zinc/31/91/10/180319110.db2.gz ZGBKOQSKFZYPSI-WPRPVWTQSA-N 2 0 225.361 1.621 20 0 BDADRP Cc1nn(C)cc1[C@@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271900535 180378494 /nfs/dbraw/zinc/37/84/94/180378494.db2.gz VMGQEJRSSSPYIZ-LLVKDONJSA-N 2 0 248.374 1.641 20 0 BDADRP Cc1nn(C)cc1[C@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271900536 180381449 /nfs/dbraw/zinc/38/14/49/180381449.db2.gz VMGQEJRSSSPYIZ-NSHDSACASA-N 2 0 248.374 1.641 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCC[C@H]2O)CC1(C)C ZINC000623545234 362965804 /nfs/dbraw/zinc/96/58/04/362965804.db2.gz CBZGSMRXIRICSH-IJLUTSLNSA-N 2 0 226.364 1.362 20 0 BDADRP CC[C@H](C)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000151852277 191113863 /nfs/dbraw/zinc/11/38/63/191113863.db2.gz PPVIVKJETHCHKT-NSHDSACASA-N 2 0 214.353 1.079 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CO1 ZINC000623558884 362980859 /nfs/dbraw/zinc/98/08/59/362980859.db2.gz MDFHKLQHUSSYIB-GRYCIOLGSA-N 2 0 226.364 1.626 20 0 BDADRP C[C@@]1(C[NH3+])CC[N@H+](CCCCCF)C1 ZINC000336681948 350905795 /nfs/dbraw/zinc/90/57/95/350905795.db2.gz HUPLCGRLVFLPMU-NSHDSACASA-N 2 0 202.317 1.797 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](C[C@H]2CCCCO2)C1 ZINC000250878369 350886920 /nfs/dbraw/zinc/88/69/20/350886920.db2.gz USLRSYUIMLQUQH-QWHCGFSZSA-N 2 0 226.364 1.616 20 0 BDADRP C([NH2+][C@H]1CCCC[NH2+]C1)[C@@H]1CCSC1 ZINC000335271790 191127928 /nfs/dbraw/zinc/12/79/28/191127928.db2.gz VHJGGEMHLHSJPR-QWRGUYRKSA-N 2 0 214.378 1.471 20 0 BDADRP CC[N@@H+]1CCCN(c2ccnc(C)n2)CC1 ZINC000266407827 351291032 /nfs/dbraw/zinc/29/10/32/351291032.db2.gz QGFGFPPCSMMVQO-UHFFFAOYSA-N 2 0 220.320 1.317 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC([NH3+])(CC)CC ZINC000353166049 351346957 /nfs/dbraw/zinc/34/69/57/351346957.db2.gz IUNVELXCHSIGOT-QWRGUYRKSA-N 2 0 241.379 1.008 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]C[C@@H](O)C2CC2)CC1 ZINC000070879966 535162422 /nfs/dbraw/zinc/16/24/22/535162422.db2.gz AONVDBMDFYFMOX-CYBMUJFWSA-N 2 0 226.364 1.220 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)[C@@H](C)OC)C1 ZINC000252715828 538100734 /nfs/dbraw/zinc/10/07/34/538100734.db2.gz WVAISFWRELLGNY-JHJVBQTASA-N 2 0 228.380 1.731 20 0 BDADRP CO[C@@H](C[NH2+]CCC[NH+](C)C)CC(C)C ZINC000638289106 352124626 /nfs/dbraw/zinc/12/46/26/352124626.db2.gz DBYKTJNNSWWWRT-GFCCVEGCSA-N 2 0 216.369 1.589 20 0 BDADRP CC[C@H](C(=O)N1CCCC[C@H]1CC[NH3+])[NH+](C)C ZINC000638233762 352085831 /nfs/dbraw/zinc/08/58/31/352085831.db2.gz KEXWXMKWXVPVMS-NWDGAFQWSA-N 2 0 241.379 1.057 20 0 BDADRP C[C@@H](CCCC[NH3+])NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000638243446 352090912 /nfs/dbraw/zinc/09/09/12/352090912.db2.gz PITLXUABAIVWHW-RYUDHWBXSA-N 2 0 241.379 1.104 20 0 BDADRP CO[C@]1(C[NH2+]CCC[N@H+](C)C(C)C)CCOC1 ZINC000638337196 352156104 /nfs/dbraw/zinc/15/61/04/352156104.db2.gz CQTIDRWAEVRHHP-ZDUSSCGKSA-N 2 0 244.379 1.112 20 0 BDADRP C([NH2+][C@H]1CCCSC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000061588235 187613209 /nfs/dbraw/zinc/61/32/09/187613209.db2.gz BQIMJNZPEDGVED-RYUDHWBXSA-N 2 0 240.416 1.956 20 0 BDADRP C[C@H]1C[C@H]1C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638363806 352174124 /nfs/dbraw/zinc/17/41/24/352174124.db2.gz YQZBQDUGAKTHEC-RYUDHWBXSA-N 2 0 240.391 1.467 20 0 BDADRP CCCC[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638320331 352142584 /nfs/dbraw/zinc/14/25/84/352142584.db2.gz JKAPWQCQDKFYJF-UHFFFAOYSA-N 2 0 228.380 1.611 20 0 BDADRP CCC(C)(C)[NH+]1CCN(C(=O)C[C@H](C)[NH3+])CC1 ZINC000638394829 352200943 /nfs/dbraw/zinc/20/09/43/352200943.db2.gz KKYUSPDFYLYRDM-NSHDSACASA-N 2 0 241.379 1.057 20 0 BDADRP C[NH+](C)C[C@H]1CC[N@H+](CCC2(O)CCC2)C1 ZINC000411116127 191159705 /nfs/dbraw/zinc/15/97/05/191159705.db2.gz NRAWTRDMZGIOMJ-GFCCVEGCSA-N 2 0 226.364 1.175 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)C[C@H](C)O)C1CC[NH+](C)CC1 ZINC000252770113 538102673 /nfs/dbraw/zinc/10/26/73/538102673.db2.gz SZAUHUWMYURTBG-SDDRHHMPSA-N 2 0 228.380 1.466 20 0 BDADRP C[C@H](C[C@H](C)O)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000252770112 538102519 /nfs/dbraw/zinc/10/25/19/538102519.db2.gz SZAUHUWMYURTBG-GRYCIOLGSA-N 2 0 228.380 1.466 20 0 BDADRP CC[C@H]([NH2+][C@H](C)CCCC[NH3+])C(C)(C)O ZINC000394006422 259425813 /nfs/dbraw/zinc/42/58/13/259425813.db2.gz XXUARPCGIRYORF-MNOVXSKESA-N 2 0 216.369 1.643 20 0 BDADRP CC(C)COCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261589651 535177680 /nfs/dbraw/zinc/17/76/80/535177680.db2.gz UAFWAMOFMXWPNY-XQQFMLRXSA-N 2 0 226.364 1.328 20 0 BDADRP CC[NH+]1CCC(C[NH2+]CCC[C@@H]2CCO2)CC1 ZINC000638564846 352390094 /nfs/dbraw/zinc/39/00/94/352390094.db2.gz IOBQVXZUQWOUDV-CQSZACIVSA-N 2 0 240.391 1.877 20 0 BDADRP CO[C@@H](C[NH2+]C[C@@H]1CCC[N@H+](C)C1)CC(C)C ZINC000638589387 352421052 /nfs/dbraw/zinc/42/10/52/352421052.db2.gz UBMAZGDFRJHSID-UONOGXRCSA-N 2 0 242.407 1.979 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)CS1 ZINC000252173154 363190199 /nfs/dbraw/zinc/19/01/99/363190199.db2.gz RNEPDSPDROAUAZ-UTUOFQBUSA-N 2 0 240.416 1.954 20 0 BDADRP C([C@H]1CCC[NH2+]C1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000334227217 352766824 /nfs/dbraw/zinc/76/68/24/352766824.db2.gz GBDBSUIZKSTPAH-KBPBESRZSA-N 3 0 237.391 1.062 20 0 BDADRP C[C@@H]1[C@H](CO)CCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000412079244 191253128 /nfs/dbraw/zinc/25/31/28/191253128.db2.gz LCEIAKSSWIXSJR-HZSPNIEDSA-N 2 0 240.391 1.564 20 0 BDADRP C[C@@H](Cc1cnccn1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000638838382 353023010 /nfs/dbraw/zinc/02/30/10/353023010.db2.gz HTOYHAMCTIJRHQ-LBPRGKRZSA-N 2 0 246.358 1.259 20 0 BDADRP CC[C@H](C)[C@H](C[NH2+]CC1=CC[N@H+](C)CC1)OC ZINC000638838180 353023048 /nfs/dbraw/zinc/02/30/48/353023048.db2.gz DXKWLGPQHVZGQJ-JSGCOSHPSA-N 2 0 240.391 1.899 20 0 BDADRP CCC[NH2+][C@@H](C)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638818945 352999412 /nfs/dbraw/zinc/99/94/12/352999412.db2.gz GKSKLPUIFLAAHO-NWDGAFQWSA-N 2 0 241.379 1.104 20 0 BDADRP CC[C@H](C)[C@@H](C[NH2+]CCN1CC[C@H](C)C1)OC ZINC000638870655 353043072 /nfs/dbraw/zinc/04/30/72/353043072.db2.gz FCPGSHGABVUKES-MELADBBJSA-N 2 0 242.407 1.979 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC2(F)CC2)C1 ZINC000307690098 353093843 /nfs/dbraw/zinc/09/38/43/353093843.db2.gz HOCOGQZPUSZKRD-NXEZZACHSA-N 2 0 200.301 1.548 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638943142 353141304 /nfs/dbraw/zinc/14/13/04/353141304.db2.gz QNDVFKCTJYRFAO-GVXVVHGQSA-N 2 0 241.379 1.138 20 0 BDADRP CC[C@@H]1CCCCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000125054786 353173494 /nfs/dbraw/zinc/17/34/94/353173494.db2.gz OTEGRVCBVIPQAY-CQSZACIVSA-N 2 0 239.407 1.546 20 0 BDADRP CCC[NH2+][C@@H](C)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638968023 353175656 /nfs/dbraw/zinc/17/56/56/353175656.db2.gz NVMMFNMHHNWTQU-SRVKXCTJSA-N 2 0 241.379 1.008 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)NC1(C[NH3+])CCCCC1 ZINC000638996611 353232951 /nfs/dbraw/zinc/23/29/51/353232951.db2.gz LWZWTHNMYLDYKS-LLVKDONJSA-N 2 0 241.379 1.152 20 0 BDADRP CC[NH+]1CCC(N(C)C(=O)CC[C@H](C)[NH3+])CC1 ZINC000070314967 353259140 /nfs/dbraw/zinc/25/91/40/353259140.db2.gz WVIQOCMMPGTECD-NSHDSACASA-N 2 0 241.379 1.057 20 0 BDADRP CCN1CCC[C@H]([NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC000250239389 353269356 /nfs/dbraw/zinc/26/93/56/353269356.db2.gz HCIYRYRJQMSJJL-AVGNSLFASA-N 2 0 225.380 1.188 20 0 BDADRP CC(C)[C@H](CCO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300408940 188247984 /nfs/dbraw/zinc/24/79/84/188247984.db2.gz SZRBZBOEGVXBAI-RDBSUJKOSA-N 2 0 240.391 1.610 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)CCC[NH3+] ZINC000336715437 188255893 /nfs/dbraw/zinc/25/58/93/188255893.db2.gz WPDHCBOQUAIVHU-LBPRGKRZSA-N 3 0 215.385 1.434 20 0 BDADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC1CC[NH2+]CC1 ZINC000251925369 353293423 /nfs/dbraw/zinc/29/34/23/353293423.db2.gz YHTJBSHFGLLJNU-OCCSQVGLSA-N 2 0 237.391 1.155 20 0 BDADRP CC(C)CC[C@@H]([NH3+])C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639029502 353296314 /nfs/dbraw/zinc/29/63/14/353296314.db2.gz FPAOWIUGJVJHPZ-IJLUTSLNSA-N 2 0 241.379 1.136 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1ccc(O)cc1 ZINC000358077751 188271921 /nfs/dbraw/zinc/27/19/21/188271921.db2.gz CAPDZILEYFGOKQ-WFASDCNBSA-N 2 0 248.370 1.865 20 0 BDADRP C(CN1CC[N@@H+]2CCCC[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000252694235 353303816 /nfs/dbraw/zinc/30/38/16/353303816.db2.gz YTWZVWYPEHKWGM-ZIAGYGMSSA-N 2 0 237.391 1.156 20 0 BDADRP Cc1cc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc[nH+]1 ZINC000252941568 353313064 /nfs/dbraw/zinc/31/30/64/353313064.db2.gz JHOJNSXZOCUSJG-FPMFFAJLSA-N 2 0 231.343 1.954 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422830799 192482389 /nfs/dbraw/zinc/48/23/89/192482389.db2.gz DAQZHIDRBVIPRM-XJFOESAGSA-N 2 0 239.407 1.576 20 0 BDADRP C([NH2+]C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC000112341612 188340506 /nfs/dbraw/zinc/34/05/06/188340506.db2.gz DMSHCRWEKNLSSS-UHFFFAOYSA-N 2 0 208.349 1.860 20 0 BDADRP C[C@@H](CCO)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000085127140 538115647 /nfs/dbraw/zinc/11/56/47/538115647.db2.gz NGXPHHNQXNSXQA-RYUDHWBXSA-N 2 0 228.380 1.325 20 0 BDADRP CC(C)[C@@](C)(O)C[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000305153629 188337446 /nfs/dbraw/zinc/33/74/46/188337446.db2.gz UZRQRFXTSFFBTO-BZPMIXESSA-N 2 0 240.391 1.608 20 0 BDADRP CC(C)COCCN1CC[C@H](C[NH+](C)C)C1 ZINC000336667850 188358164 /nfs/dbraw/zinc/35/81/64/188358164.db2.gz NZCJVMMVOAHVPM-CYBMUJFWSA-N 2 0 228.380 1.543 20 0 BDADRP C(C1CC1)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000335638036 188348391 /nfs/dbraw/zinc/34/83/91/188348391.db2.gz ZWWIKHWDARFXKY-QWHCGFSZSA-N 2 0 208.349 1.718 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@H](C)c1cn[nH]c1 ZINC000284057448 188385582 /nfs/dbraw/zinc/38/55/82/188385582.db2.gz KOJHIWGWAXSCCT-LLVKDONJSA-N 2 0 224.352 1.791 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CCCSCC1 ZINC000042444850 188396751 /nfs/dbraw/zinc/39/67/51/188396751.db2.gz NMOSTSCBDJHYJO-UHFFFAOYSA-N 2 0 214.378 1.425 20 0 BDADRP CCc1nc(CN2CCC[C@H](C[NH3+])C2)cs1 ZINC000044529684 188397190 /nfs/dbraw/zinc/39/71/90/188397190.db2.gz HDMHFGJPWBZTFH-SNVBAGLBSA-N 2 0 239.388 1.876 20 0 BDADRP CC(C)[NH+](CCC[NH2+][C@H](C)CC(N)=O)C(C)C ZINC000341984982 188399468 /nfs/dbraw/zinc/39/94/68/188399468.db2.gz YNJVEUSIGYNLMA-GFCCVEGCSA-N 2 0 243.395 1.349 20 0 BDADRP CC(C)C1(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CC1 ZINC000639113161 353710673 /nfs/dbraw/zinc/71/06/73/353710673.db2.gz JGTZAFOEOPZRBH-BETUJISGSA-N 2 0 222.376 1.916 20 0 BDADRP CC[C@@H](C)[C@H](C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)OC ZINC000639113869 353714935 /nfs/dbraw/zinc/71/49/35/353714935.db2.gz YIQBPGBHWYZLFW-MQYQWHSLSA-N 2 0 240.391 1.541 20 0 BDADRP CC(C)(C)[NH+]1CCC(NC[C@@H]2CCC[NH2+]2)CC1 ZINC000232494445 353727466 /nfs/dbraw/zinc/72/74/66/353727466.db2.gz KVRFYHZUIAULHZ-ZDUSSCGKSA-N 2 0 239.407 1.591 20 0 BDADRP CCC([NH3+])(CC)C[NH2+][C@@H](COC)C1CC1 ZINC000398072810 324217234 /nfs/dbraw/zinc/21/72/34/324217234.db2.gz DZGBBUUCSHUXHG-NSHDSACASA-N 2 0 214.353 1.519 20 0 BDADRP CN(C)c1ccnc(NC2CC[NH+](C)CC2)n1 ZINC000098192975 353785211 /nfs/dbraw/zinc/78/52/11/353785211.db2.gz NWDMIKYZOJUMMN-UHFFFAOYSA-N 2 0 235.335 1.049 20 0 BDADRP COCc1cccc(C[NH2+][C@@H]2CN(C)C[C@@H]2C)c1 ZINC000343585022 353940542 /nfs/dbraw/zinc/94/05/42/353940542.db2.gz CUAUNMQRAUSSKZ-SWLSCSKDSA-N 2 0 248.370 1.873 20 0 BDADRP CC[C@H](C)C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344019589 354081663 /nfs/dbraw/zinc/08/16/63/354081663.db2.gz FUVNUXMUHVZNKH-AWEZNQCLSA-N 2 0 243.439 1.848 20 0 BDADRP Cc1cc([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)no1 ZINC000344184224 354177778 /nfs/dbraw/zinc/17/77/78/354177778.db2.gz JBHDTMFIMIGYDC-LLVKDONJSA-N 2 0 237.347 1.975 20 0 BDADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000449687116 202001963 /nfs/dbraw/zinc/00/19/63/202001963.db2.gz OBKINJXCALUZBK-SDDRHHMPSA-N 2 0 241.379 1.008 20 0 BDADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000449683813 202002617 /nfs/dbraw/zinc/00/26/17/202002617.db2.gz OBKINJXCALUZBK-TUAOUCFPSA-N 2 0 241.379 1.008 20 0 BDADRP Cc1c[nH]nc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000334584763 354206883 /nfs/dbraw/zinc/20/68/83/354206883.db2.gz IKHFEGOBAJISCK-CYBMUJFWSA-N 2 0 248.374 1.682 20 0 BDADRP Cc1cc(N2CC[C@@H]([NH3+])[C@@H](C)C2)cc[nH+]1 ZINC000232057548 363361592 /nfs/dbraw/zinc/36/15/92/363361592.db2.gz DBPBHHBDZMQKGD-JOYOIKCWSA-N 2 0 205.305 1.564 20 0 BDADRP C[C@]1(C[NH+]2CCC3(CC[NH2+]C3)CC2)CC[NH2+]C1 ZINC000334590984 354222063 /nfs/dbraw/zinc/22/20/63/354222063.db2.gz GTEPBHUUWFVPIF-ZDUSSCGKSA-N 3 0 237.391 1.062 20 0 BDADRP c1ccc([C@H]2C[C@H](N[C@H]3CC[NH2+]C3)CC[NH2+]2)cc1 ZINC000577963559 366148170 /nfs/dbraw/zinc/14/81/70/366148170.db2.gz FCHCIFNJKAQSEM-QLFBSQMISA-N 2 0 245.370 1.431 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C2CC(F)(F)C2)C1 ZINC000577963762 366148186 /nfs/dbraw/zinc/14/81/86/366148186.db2.gz MZEQJUZZKBTGNR-SFYZADRCSA-N 2 0 204.264 1.644 20 0 BDADRP [NH3+]C1CCC([NH2+][C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000334615624 354302397 /nfs/dbraw/zinc/30/23/97/354302397.db2.gz LIYJGCWMQVMTQU-KIDURHIOSA-N 3 0 211.353 1.116 20 0 BDADRP COC1(C[NH2+][C@H](C)C2CC[NH+](C)CC2)CCC1 ZINC000227492810 491061879 /nfs/dbraw/zinc/06/18/79/491061879.db2.gz GRHAREBNRBIDFK-GFCCVEGCSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1c[nH+]ccc1N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000334629808 354372459 /nfs/dbraw/zinc/37/24/59/354372459.db2.gz WWZCOONMZBEGTG-YPMHNXCESA-N 2 0 217.316 1.530 20 0 BDADRP C[C@@H]1C[C@@H](C)[N@H+](CCc2cncn2C)C1 ZINC000334706743 354499840 /nfs/dbraw/zinc/49/98/40/354499840.db2.gz WRTVDICRXKESCU-GHMZBOCLSA-N 2 0 207.321 1.693 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCC[C@@H]3CCO3)C2)C1 ZINC000639202728 354608316 /nfs/dbraw/zinc/60/83/16/354608316.db2.gz BCAXCHRLMOZYTR-ZIAGYGMSSA-N 2 0 238.375 1.583 20 0 BDADRP CCC[C@H](CC)[NH2+][C@H](CCC[NH3+])COC ZINC000233347605 363399693 /nfs/dbraw/zinc/39/96/93/363399693.db2.gz RBSUUHNNANGJQH-NWDGAFQWSA-N 2 0 216.369 1.909 20 0 BDADRP CCC[C@@H](CC)[NH2+][C@H](CCC[NH3+])COC ZINC000233288447 363398517 /nfs/dbraw/zinc/39/85/17/363398517.db2.gz RBSUUHNNANGJQH-VXGBXAGGSA-N 2 0 216.369 1.909 20 0 BDADRP CSCCC[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000235048727 363436339 /nfs/dbraw/zinc/43/63/39/363436339.db2.gz KUPDSVRZVAFSCP-LLVKDONJSA-N 2 0 216.394 1.671 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CC1(SC)CC1 ZINC000234713537 363427533 /nfs/dbraw/zinc/42/75/33/363427533.db2.gz WDZZBENZCVSGSE-SNVBAGLBSA-N 2 0 232.393 1.226 20 0 BDADRP CCC[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000335176799 354946094 /nfs/dbraw/zinc/94/60/94/354946094.db2.gz QGALQTWVWHMQCA-QWHCGFSZSA-N 2 0 226.364 1.615 20 0 BDADRP COC1CCC(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000422836940 192484587 /nfs/dbraw/zinc/48/45/87/192484587.db2.gz LAPIXOROGSYFQF-FKZOYECMSA-N 2 0 240.391 1.909 20 0 BDADRP COc1ccsc1C[NH+]1CCC(C[NH3+])CC1 ZINC000346686947 355012962 /nfs/dbraw/zinc/01/29/62/355012962.db2.gz LDWWQOPWUGJVMR-UHFFFAOYSA-N 2 0 240.372 1.927 20 0 BDADRP COc1ccsc1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000346638247 355015190 /nfs/dbraw/zinc/01/51/90/355015190.db2.gz JGFPNFVXVCFSRK-NXEZZACHSA-N 2 0 240.372 1.926 20 0 BDADRP COc1ccsc1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000346638252 355015583 /nfs/dbraw/zinc/01/55/83/355015583.db2.gz JGFPNFVXVCFSRK-ZJUUUORDSA-N 2 0 240.372 1.926 20 0 BDADRP C[C@H](CC1CCOCC1)C[NH+]1CCC([NH3+])CC1 ZINC000346648666 355018191 /nfs/dbraw/zinc/01/81/91/355018191.db2.gz PJZREYKJPGAMOE-GFCCVEGCSA-N 2 0 240.391 1.862 20 0 BDADRP CCC[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000335186660 355085464 /nfs/dbraw/zinc/08/54/64/355085464.db2.gz PQXBFUOPEHQYKP-NEPJUHHUSA-N 2 0 212.337 1.225 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+](C[C@H]3CCSC3)C2)C1 ZINC000335228628 355070700 /nfs/dbraw/zinc/07/07/00/355070700.db2.gz NVTQVRYIHWWMKJ-OLZOCXBDSA-N 2 0 240.416 1.767 20 0 BDADRP C[C@@H]([NH3+])CN1CC[C@@](C)(c2ccccc2)C1 ZINC000335229467 355071488 /nfs/dbraw/zinc/07/14/88/355071488.db2.gz GWJRGKVJJIUHGN-TZMCWYRMSA-N 2 0 218.344 1.997 20 0 BDADRP C[C@H]([NH3+])CN1CC[C@@](C)(c2ccccc2)C1 ZINC000335229464 355071651 /nfs/dbraw/zinc/07/16/51/355071651.db2.gz GWJRGKVJJIUHGN-GXTWGEPZSA-N 2 0 218.344 1.997 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccccc1N(C)C ZINC000346693067 355076260 /nfs/dbraw/zinc/07/62/60/355076260.db2.gz KQZLTPWNUXXVQV-CHWSQXEVSA-N 2 0 247.386 1.922 20 0 BDADRP CC[C@@H]1C[C@H](C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)CCO1 ZINC000346695201 355077111 /nfs/dbraw/zinc/07/71/11/355077111.db2.gz YVIYEVUPGKGQCI-AAVRWANBSA-N 2 0 240.391 1.861 20 0 BDADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCCC[NH+](C)C ZINC000346820785 355124991 /nfs/dbraw/zinc/12/49/91/355124991.db2.gz LDWDHVNBVOHYNX-LLVKDONJSA-N 2 0 243.395 1.221 20 0 BDADRP CCc1cc(N2CC[N@H+](C)C[C@H]2C)cc[nH+]1 ZINC000335233202 355093974 /nfs/dbraw/zinc/09/39/74/355093974.db2.gz ODHNGPVFOGPQAT-LLVKDONJSA-N 2 0 219.332 1.784 20 0 BDADRP Cc1n[nH]c(C)c1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000346853501 355138500 /nfs/dbraw/zinc/13/85/00/355138500.db2.gz SSJUDUBRWRKZPU-CYZMBNFOSA-N 2 0 234.347 1.196 20 0 BDADRP C[N@H+](CCc1ccccc1O)C[C@@H]1CCC[NH2+]C1 ZINC000346975529 355209026 /nfs/dbraw/zinc/20/90/26/355209026.db2.gz JHPCGXDWADDHDN-CYBMUJFWSA-N 2 0 248.370 1.866 20 0 BDADRP CN(CC[C@H]1CCCC[N@@H+]1C)CC(C)(C)[NH3+] ZINC000346985608 355186658 /nfs/dbraw/zinc/18/66/58/355186658.db2.gz PNKXCFAMQRHNMJ-GFCCVEGCSA-N 2 0 227.396 1.530 20 0 BDADRP C[N@H+](C[C@@H]1CCC[NH2+]C1)[C@@H](CO)C(C)(C)C ZINC000346988379 355188583 /nfs/dbraw/zinc/18/85/83/355188583.db2.gz QYAJIJBNVNZJQB-NEPJUHHUSA-N 2 0 228.380 1.325 20 0 BDADRP C[C@@H]1CN(CCSCC[NH+](C)C)CCO1 ZINC000412996316 191332660 /nfs/dbraw/zinc/33/26/60/191332660.db2.gz FTCFZJQKBSXLJK-LLVKDONJSA-N 2 0 232.393 1.002 20 0 BDADRP COCCCCC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113511983 355247902 /nfs/dbraw/zinc/24/79/02/355247902.db2.gz UREUXIHCVBVCHJ-ZDUSSCGKSA-N 2 0 228.380 1.687 20 0 BDADRP CC[C@H](C[N@H+](C)C[C@@H]1CCC[NH+](C)C1)OC ZINC000412979332 191348613 /nfs/dbraw/zinc/34/86/13/191348613.db2.gz TYBJFWRAPFJTKG-CHWSQXEVSA-N 2 0 228.380 1.685 20 0 BDADRP Cc1cnc(CC[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cn1 ZINC000639245358 355266763 /nfs/dbraw/zinc/26/67/63/355266763.db2.gz WTHXWBHLALNPRC-OLZOCXBDSA-N 2 0 248.374 1.400 20 0 BDADRP Cc1cnc(C[NH2+]C2CCC([NH+](C)C)CC2)o1 ZINC000639277091 355353256 /nfs/dbraw/zinc/35/32/56/355353256.db2.gz SEMXSXSMUBIFFM-UHFFFAOYSA-N 2 0 237.347 1.945 20 0 BDADRP NC(=[NH2+])NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000057887350 181191415 /nfs/dbraw/zinc/19/14/15/181191415.db2.gz DSSCOCJZBWPGTI-UHFFFAOYSA-N 2 0 246.358 1.656 20 0 BDADRP Cc1n[nH]c(C)c1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000335783280 355431553 /nfs/dbraw/zinc/43/15/53/355431553.db2.gz NVUHXUBKOXNWIV-LDYMZIIASA-N 2 0 222.336 1.196 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000414807199 191575503 /nfs/dbraw/zinc/57/55/03/191575503.db2.gz ISGAJWNCBOVAFB-GFCCVEGCSA-N 3 0 247.386 1.796 20 0 BDADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000415031102 191657570 /nfs/dbraw/zinc/65/75/70/191657570.db2.gz GJAIEEUCJBRSJJ-OLZOCXBDSA-N 2 0 204.317 1.904 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000415020364 191653799 /nfs/dbraw/zinc/65/37/99/191653799.db2.gz XIGRMNYJCPMANL-XQHKEYJVSA-N 2 0 240.391 1.907 20 0 BDADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CCCOCC2)CC1 ZINC000415019930 191654402 /nfs/dbraw/zinc/65/44/02/191654402.db2.gz FNMUWQMOHNJPAE-MGPQQGTHSA-N 2 0 240.391 1.910 20 0 BDADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CCC[NH2+]C1 ZINC000414926914 191624537 /nfs/dbraw/zinc/62/45/37/191624537.db2.gz OFEVZYVUOCBSPI-BFHYXJOUSA-N 2 0 239.407 1.639 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000414940709 191628209 /nfs/dbraw/zinc/62/82/09/191628209.db2.gz XTUGKZYQJVYWOX-QNWHQSFQSA-N 2 0 225.380 1.105 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@@H]1CCC[NH2+][C@@H]1C ZINC000414962645 191634151 /nfs/dbraw/zinc/63/41/51/191634151.db2.gz WUWIQPXAQXSOBP-GRYCIOLGSA-N 2 0 213.369 1.090 20 0 BDADRP CC(C)OCCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000415087421 191675314 /nfs/dbraw/zinc/67/53/14/191675314.db2.gz UGTCCLGCPCJJBE-UHFFFAOYSA-N 2 0 228.380 1.909 20 0 BDADRP CO[C@@H](C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)CC(C)C ZINC000639308096 355662983 /nfs/dbraw/zinc/66/29/83/355662983.db2.gz AHYZPNMFPJUNJU-HZSPNIEDSA-N 2 0 242.407 1.977 20 0 BDADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC)C1 ZINC000350181232 355621515 /nfs/dbraw/zinc/62/15/15/355621515.db2.gz MEFLMXGUKGKKIZ-GFCCVEGCSA-N 2 0 214.353 1.439 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000166561585 355691510 /nfs/dbraw/zinc/69/15/10/355691510.db2.gz UQXNHCAEHLGUFP-QWHCGFSZSA-N 2 0 228.380 1.731 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000166561700 355691628 /nfs/dbraw/zinc/69/16/28/355691628.db2.gz UQXNHCAEHLGUFP-CHWSQXEVSA-N 2 0 228.380 1.731 20 0 BDADRP O[C@H]1C[N@H+](Cc2cccc3nccn32)CC12CC2 ZINC000335892934 355686209 /nfs/dbraw/zinc/68/62/09/355686209.db2.gz PQEPCGRZOLAANE-LBPRGKRZSA-N 2 0 243.310 1.291 20 0 BDADRP CSCC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000129641422 355766821 /nfs/dbraw/zinc/76/68/21/355766821.db2.gz ZHOJNMNVQOYGNL-UWVGGRQHSA-N 2 0 202.367 1.422 20 0 BDADRP CN(C)c1cccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000608492892 355818941 /nfs/dbraw/zinc/81/89/41/355818941.db2.gz IPSHINKFRIVQSG-KBPBESRZSA-N 2 0 245.370 1.404 20 0 BDADRP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000166815507 355851716 /nfs/dbraw/zinc/85/17/16/355851716.db2.gz UIBVDKVQIRWAHV-CHWSQXEVSA-N 2 0 226.364 1.221 20 0 BDADRP Cc1ccc([C@H]([NH3+])C(=O)N[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000583631941 355941532 /nfs/dbraw/zinc/94/15/32/355941532.db2.gz IJZJYCMRWVVBCA-LOWVWBTDSA-N 2 0 249.358 1.237 20 0 BDADRP Cc1ncc(C[NH2+]CCCCn2ccnc2)n1C ZINC000583642214 355947954 /nfs/dbraw/zinc/94/79/54/355947954.db2.gz SDHSWAMMWURBEC-UHFFFAOYSA-N 2 0 247.346 1.495 20 0 BDADRP CC[C@H](C)[C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)CC ZINC000393725604 355949477 /nfs/dbraw/zinc/94/94/77/355949477.db2.gz YVOXMKFGCUPKTA-SDDRHHMPSA-N 2 0 216.369 1.323 20 0 BDADRP COC[C@@H]1CC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000351227594 355964135 /nfs/dbraw/zinc/96/41/35/355964135.db2.gz OJUKDUVYSQSHTD-KGLIPLIRSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCN(C)c2ccccc2)C1 ZINC000351863480 356100287 /nfs/dbraw/zinc/10/02/87/356100287.db2.gz UBWTYRIOBSURGO-ZIAGYGMSSA-N 2 0 247.386 1.792 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H](Nc2cc(NC3CC3)ncn2)C1 ZINC000420237961 192182827 /nfs/dbraw/zinc/18/28/27/192182827.db2.gz MUPXLRAMEQPXLD-MWLCHTKSSA-N 2 0 247.346 1.733 20 0 BDADRP [NH3+][C@H]1CCC[C@H](Nc2cc(NC3CC3)ncn2)C1 ZINC000420237963 192183157 /nfs/dbraw/zinc/18/31/57/192183157.db2.gz MUPXLRAMEQPXLD-ONGXEEELSA-N 2 0 247.346 1.733 20 0 BDADRP CC(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000639473484 356266887 /nfs/dbraw/zinc/26/68/87/356266887.db2.gz JSRHWLKWYWMCJQ-UHFFFAOYSA-N 2 0 226.364 1.628 20 0 BDADRP CCCN(CC[C@H]1CCC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000420297278 192204679 /nfs/dbraw/zinc/20/46/79/192204679.db2.gz RFCOSJNOUSOPGC-KGLIPLIRSA-N 2 0 239.407 1.450 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000420296933 192204785 /nfs/dbraw/zinc/20/47/85/192204785.db2.gz XQWYQOWIZPLGQT-UPJWGTAASA-N 3 0 225.380 1.045 20 0 BDADRP C(CN1CC[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCC[NH2+]C1 ZINC000420295685 192204829 /nfs/dbraw/zinc/20/48/29/192204829.db2.gz VXUCFZBIAUSHAL-MJBXVCDLSA-N 2 0 237.391 1.202 20 0 BDADRP C[N@H+](CC[C@@H]1CCCCO1)CC(C)(C)C[NH3+] ZINC000420296973 192204947 /nfs/dbraw/zinc/20/49/47/192204947.db2.gz XTFAKQYDLSCWIO-LBPRGKRZSA-N 2 0 228.380 1.862 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](CCCc2ccsc2)C1 ZINC000420300850 192206442 /nfs/dbraw/zinc/20/64/42/192206442.db2.gz VHXNZFLHNNDHQI-LBPRGKRZSA-N 2 0 224.373 1.961 20 0 BDADRP CCOCC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420320353 192195179 /nfs/dbraw/zinc/19/51/79/192195179.db2.gz BJHGMRXZQQZMKX-QWHCGFSZSA-N 2 0 226.364 1.344 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000420319555 192195819 /nfs/dbraw/zinc/19/58/19/192195819.db2.gz XSBBALNHAVTFQR-CQSZACIVSA-N 3 0 241.423 1.779 20 0 BDADRP c1n[nH]cc1[C@H]1CCCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420319858 192195852 /nfs/dbraw/zinc/19/58/52/192195852.db2.gz PRZWTTDTDRIATC-TZMCWYRMSA-N 2 0 248.374 1.936 20 0 BDADRP CCOCC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420320351 192196005 /nfs/dbraw/zinc/19/60/05/192196005.db2.gz BJHGMRXZQQZMKX-OLZOCXBDSA-N 2 0 226.364 1.344 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@]1(C)CCCS1 ZINC000422873049 192494235 /nfs/dbraw/zinc/49/42/35/192494235.db2.gz JPWNHOBGPIPSTR-AXFHLTTASA-N 2 0 216.394 1.988 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@H+](CC[C@H]2CCCCO2)C1 ZINC000420273944 192197227 /nfs/dbraw/zinc/19/72/27/192197227.db2.gz NZNLRDGYJRINIU-ZIAGYGMSSA-N 2 0 240.391 1.877 20 0 BDADRP C[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC000639490386 356307951 /nfs/dbraw/zinc/30/79/51/356307951.db2.gz YWGRLADUKLTNOV-CHWSQXEVSA-N 2 0 240.391 1.685 20 0 BDADRP CCc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000085282288 356313908 /nfs/dbraw/zinc/31/39/08/356313908.db2.gz BQKVXTPMKKVEMF-PHIMTYICSA-N 2 0 236.384 1.962 20 0 BDADRP C[NH2+]C1CCN(CCC(=O)OC(C)C)CC1 ZINC000420289777 192201352 /nfs/dbraw/zinc/20/13/52/192201352.db2.gz IJJODOOUIBALLZ-UHFFFAOYSA-N 2 0 228.336 1.012 20 0 BDADRP CC[NH+](CC)CCCN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000420341156 192215589 /nfs/dbraw/zinc/21/55/89/192215589.db2.gz NVMYKHWSHUEQLX-UONOGXRCSA-N 2 0 239.407 1.402 20 0 BDADRP C[N@H+](CCCc1ccncc1)C1CC([NH3+])C1 ZINC000420342239 192216180 /nfs/dbraw/zinc/21/61/80/192216180.db2.gz VPVGERWEURKLJE-UHFFFAOYSA-N 2 0 219.332 1.436 20 0 BDADRP CCOC(=O)CC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000420343832 192216526 /nfs/dbraw/zinc/21/65/26/192216526.db2.gz RTDUGIVFMSZGSW-UHFFFAOYSA-N 2 0 240.347 1.015 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCCc2ccncc2)C1 ZINC000420305511 192208288 /nfs/dbraw/zinc/20/82/88/192208288.db2.gz KKEZKQSIEJNQDL-OCCSQVGLSA-N 2 0 233.359 1.683 20 0 BDADRP CC[NH+](CC)CCCN(C)[C@@H](C[NH3+])C1CC1 ZINC000420306769 192208436 /nfs/dbraw/zinc/20/84/36/192208436.db2.gz BFZWWOCUEOXIAN-ZDUSSCGKSA-N 2 0 227.396 1.387 20 0 BDADRP CCOC[C@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420307645 192209809 /nfs/dbraw/zinc/20/98/09/192209809.db2.gz RPVLXTDNNKBTHP-KGLIPLIRSA-N 2 0 240.391 1.735 20 0 BDADRP CC(C)OC(=O)CC[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000420308876 192211047 /nfs/dbraw/zinc/21/10/47/192211047.db2.gz KRFSMJHMSKFHEL-LBPRGKRZSA-N 2 0 242.363 1.402 20 0 BDADRP CCC[C@@H]1C[NH2+]CCN1CCC[NH+](CC)CC ZINC000420316416 192212279 /nfs/dbraw/zinc/21/22/79/192212279.db2.gz YCNSSUZCJHDVRD-CQSZACIVSA-N 2 0 241.423 1.792 20 0 BDADRP Nc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccn1 ZINC000420316411 192212456 /nfs/dbraw/zinc/21/24/56/192212456.db2.gz YCLQABWQWADEHZ-YNEHKIRRSA-N 2 0 246.358 1.053 20 0 BDADRP C[C@@H](C1CCCCC1)[N@H+](C)CCOCC[NH3+] ZINC000420371175 192226734 /nfs/dbraw/zinc/22/67/34/192226734.db2.gz ZTOCRNFXZYQKRY-LBPRGKRZSA-N 2 0 228.380 1.862 20 0 BDADRP CC[NH+](CC)CCCN1CC[NH2+]C[C@](C)(F)C1 ZINC000420322551 192226873 /nfs/dbraw/zinc/22/68/73/192226873.db2.gz AKFAKOKXASEUAN-ZDUSSCGKSA-N 2 0 245.386 1.352 20 0 BDADRP CC[N@H+](CCC(=O)OC)[C@@H]1CCC[NH2+]CC1 ZINC000420321384 192227521 /nfs/dbraw/zinc/22/75/21/192227521.db2.gz ZYXBILNHAVVMQR-LLVKDONJSA-N 2 0 228.336 1.014 20 0 BDADRP CCC[C@H]([NH3+])C(=O)NC1CC[NH+](CCC)CC1 ZINC000040829713 358502966 /nfs/dbraw/zinc/50/29/66/358502966.db2.gz LXJYTZDWZHCRAK-LBPRGKRZSA-N 2 0 241.379 1.104 20 0 BDADRP CC(C)(C)[C@@H](CN)[NH2+]CCC1CC[NH2+]CC1 ZINC000420354960 192219206 /nfs/dbraw/zinc/21/92/06/192219206.db2.gz DSALTELSCYZDIT-GFCCVEGCSA-N 2 0 227.396 1.339 20 0 BDADRP CCC[C@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000420361352 192222371 /nfs/dbraw/zinc/22/23/71/192222371.db2.gz NIRMYEGPWGZLFX-KGLIPLIRSA-N 2 0 240.391 1.877 20 0 BDADRP CC(C)[C@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000420359974 192222814 /nfs/dbraw/zinc/22/28/14/192222814.db2.gz LITUJIATPWDDOS-UONOGXRCSA-N 2 0 240.391 1.733 20 0 BDADRP C(C[N@@H+]1CCOC[C@H]1C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000420368360 192225212 /nfs/dbraw/zinc/22/52/12/192225212.db2.gz WQNQGCFSEBCILI-JSGCOSHPSA-N 2 0 238.375 1.487 20 0 BDADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCCF)CC1 ZINC000420388574 192235328 /nfs/dbraw/zinc/23/53/28/192235328.db2.gz XCVLYZXWGUNUAO-CHWSQXEVSA-N 2 0 244.354 1.564 20 0 BDADRP CCCCOCC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420391862 192237152 /nfs/dbraw/zinc/23/71/52/192237152.db2.gz ZHLQTAZZXCSLDL-CQSZACIVSA-N 2 0 240.391 1.879 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420394012 192237525 /nfs/dbraw/zinc/23/75/25/192237525.db2.gz CHPMIDZHIBXKEP-ZIAGYGMSSA-N 2 0 241.423 1.635 20 0 BDADRP C[C@@H]1CC[N@H+](CCOCC(F)F)C[C@H]1C[NH3+] ZINC000420408512 192239419 /nfs/dbraw/zinc/23/94/19/192239419.db2.gz PHWKMMZBPMNWJK-NXEZZACHSA-N 2 0 236.306 1.185 20 0 BDADRP COCCC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420407807 192239787 /nfs/dbraw/zinc/23/97/87/192239787.db2.gz VMBOFTCCXKINIX-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP CC1(C)CCCC[C@@H]1[NH2+]CCOCC[NH3+] ZINC000420416798 192240344 /nfs/dbraw/zinc/24/03/44/192240344.db2.gz VWMYCLKKHLKWTN-NSHDSACASA-N 2 0 214.353 1.520 20 0 BDADRP CC(C)C[C@H]1OCCC[C@H]1[NH2+]CCOCC[NH3+] ZINC000420416225 192241141 /nfs/dbraw/zinc/24/11/41/192241141.db2.gz VLVYOQJCAKIPQH-CHWSQXEVSA-N 2 0 244.379 1.145 20 0 BDADRP CC[N@@H+]1CCN(CC[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC000352676904 356401863 /nfs/dbraw/zinc/40/18/63/356401863.db2.gz VCQHGEUDAOXYIC-KGLIPLIRSA-N 2 0 239.407 1.497 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000420373387 192231064 /nfs/dbraw/zinc/23/10/64/192231064.db2.gz YYKXLJNJZFUOGJ-CYBMUJFWSA-N 3 0 239.407 1.354 20 0 BDADRP CC(C)(C)[NH2+]CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414919471 491092273 /nfs/dbraw/zinc/09/22/73/491092273.db2.gz VCZLKPXGVAPFID-WDEREUQCSA-N 2 0 213.369 1.234 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000414919682 491092281 /nfs/dbraw/zinc/09/22/81/491092281.db2.gz VPWKJCBPRMMNBW-VOAKCMCISA-N 2 0 225.380 1.377 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000639614036 356531889 /nfs/dbraw/zinc/53/18/89/356531889.db2.gz WVECLRMKZJGYMM-IHRRRGAJSA-N 2 0 240.391 1.828 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]CC(C)(C)CO)CC1 ZINC000088170250 491094752 /nfs/dbraw/zinc/09/47/52/491094752.db2.gz WDLMDVVDLXYRJQ-UHFFFAOYSA-N 2 0 228.380 1.467 20 0 BDADRP CCCCOCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000084216371 535312668 /nfs/dbraw/zinc/31/26/68/535312668.db2.gz RJMHDMDKFSENPY-QWHCGFSZSA-N 2 0 228.380 1.910 20 0 BDADRP C(CN1CC[C@]12CCOC2)C[NH+]1CCCCC1 ZINC000421014367 192302241 /nfs/dbraw/zinc/30/22/41/192302241.db2.gz HIVYHGAPLCQUHK-CQSZACIVSA-N 2 0 238.375 1.727 20 0 BDADRP FCCC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683341 356592549 /nfs/dbraw/zinc/59/25/49/356592549.db2.gz XRUVKRDZRIQFIN-UHFFFAOYSA-N 2 0 237.322 1.953 20 0 BDADRP CCOCC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682436 356592731 /nfs/dbraw/zinc/59/27/31/356592731.db2.gz XNURNNBQKYRJRK-UHFFFAOYSA-N 2 0 249.358 1.630 20 0 BDADRP CCC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])CC1 ZINC000422920065 192505692 /nfs/dbraw/zinc/50/56/92/192505692.db2.gz LNMPKJZHPNSNIZ-QJPTWQEYSA-N 2 0 226.364 1.519 20 0 BDADRP CC[C@@H](O)CCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422923685 192507849 /nfs/dbraw/zinc/50/78/49/192507849.db2.gz SMQVKLHXSWNJCA-WXRRBKDZSA-N 2 0 228.380 1.645 20 0 BDADRP CCC(CC)(CO)C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423002876 192530036 /nfs/dbraw/zinc/53/00/36/192530036.db2.gz KFWFSSHTSKDJHR-GHMZBOCLSA-N 2 0 216.369 1.501 20 0 BDADRP CC[C@H](C[C@H](C)CO)[NH2+][C@@H](C)CCCC[NH3+] ZINC000423004960 192535016 /nfs/dbraw/zinc/53/50/16/192535016.db2.gz LDNAJBJPEPEZQW-RWMBFGLXSA-N 2 0 230.396 1.891 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@H](CO)c1ccccc1 ZINC000423007346 192535262 /nfs/dbraw/zinc/53/52/62/192535262.db2.gz QKEGYXHMKDETCC-TZMCWYRMSA-N 2 0 236.359 1.480 20 0 BDADRP CC[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)OC ZINC000381579239 538468136 /nfs/dbraw/zinc/46/81/36/538468136.db2.gz ZPOVJWRYXSUHNA-AAEUAGOBSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCSCC(F)(F)F ZINC000423018962 192541680 /nfs/dbraw/zinc/54/16/80/192541680.db2.gz SQXXOLLTEIBEGH-HTQZYQBOSA-N 2 0 244.326 1.997 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)CCC[NH3+])C(F)(F)F ZINC000423048399 192551207 /nfs/dbraw/zinc/55/12/07/192551207.db2.gz HVGAVVZURBDTOH-SFYZADRCSA-N 2 0 212.259 1.902 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@H]2CCC[C@H]2CCO)CC1 ZINC000423061234 192555521 /nfs/dbraw/zinc/55/55/21/192555521.db2.gz KGXJMODDLNPACH-YIOUJQMASA-N 2 0 240.391 1.645 20 0 BDADRP Cc1ncsc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000167606247 134152579 /nfs/dbraw/zinc/15/25/79/134152579.db2.gz CHWNPMBPPHIMIJ-GXSJLCMTSA-N 2 0 239.388 1.868 20 0 BDADRP C[NH+]1CCC2(CC[N@H+](CCn3ccnc3)C2)CC1 ZINC000639756912 356664091 /nfs/dbraw/zinc/66/40/91/356664091.db2.gz DULOFUZNTMKUJX-UHFFFAOYSA-N 2 0 248.374 1.301 20 0 BDADRP C[C@H](CO)[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000167631433 134153243 /nfs/dbraw/zinc/15/32/43/134153243.db2.gz KUICJFAACWYWHP-MROQNXINSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@H](CO)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000167635659 134153424 /nfs/dbraw/zinc/15/34/24/134153424.db2.gz UHWHQDPSACDLKS-GGZOMVNGSA-N 2 0 206.289 1.102 20 0 BDADRP C[NH+]1CCC2(CC[N@H+](C[C@H]3CCCO3)C2)CC1 ZINC000639760637 356675852 /nfs/dbraw/zinc/67/58/52/356675852.db2.gz YLVAWDUAUCBJDD-CYBMUJFWSA-N 2 0 238.375 1.583 20 0 BDADRP CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000423138382 192582733 /nfs/dbraw/zinc/58/27/33/192582733.db2.gz JEBGUOBKIARBBH-MXWKQRLJSA-N 2 0 202.342 1.517 20 0 BDADRP C[NH+]1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC000639758043 356667096 /nfs/dbraw/zinc/66/70/96/356667096.db2.gz OTNDJYMWYHCBOQ-UHFFFAOYSA-N 2 0 245.370 1.999 20 0 BDADRP C[C@@H]1CC[C@@H](N2CCC[C@H]([NH+](C)C)C2)C[NH2+]1 ZINC000084419976 538532690 /nfs/dbraw/zinc/53/26/90/538532690.db2.gz WRRJVHOBOIKPLR-UPJWGTAASA-N 2 0 225.380 1.153 20 0 BDADRP c1cn(CC[N@@H+]2CCC[C@H]2c2cn[nH]c2)cn1 ZINC000639779150 356725805 /nfs/dbraw/zinc/72/58/05/356725805.db2.gz YGQZPAPPQGKCQE-LBPRGKRZSA-N 2 0 231.303 1.443 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000423149807 192591090 /nfs/dbraw/zinc/59/10/90/192591090.db2.gz XWJWBTGENFMPSZ-ZDCRXTMVSA-N 2 0 200.301 1.594 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000423162090 192599302 /nfs/dbraw/zinc/59/93/02/192599302.db2.gz KHLBDTMVCWBFDD-YVECIDJPSA-N 2 0 226.364 1.255 20 0 BDADRP CC(C)C[C@@H](CO)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623373037 356882192 /nfs/dbraw/zinc/88/21/92/356882192.db2.gz PWJYBYKMORFPNM-OLZOCXBDSA-N 2 0 242.407 1.856 20 0 BDADRP C[C@@H]1CC[C@H](N2CCC[C@@H]([NH+](C)C)C2)C[NH2+]1 ZINC000227656494 538710187 /nfs/dbraw/zinc/71/01/87/538710187.db2.gz WRRJVHOBOIKPLR-FRRDWIJNSA-N 2 0 225.380 1.153 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCCOC1 ZINC000166565845 538725799 /nfs/dbraw/zinc/72/57/99/538725799.db2.gz ZUHZMIBACDXDDV-LBPRGKRZSA-N 2 0 214.353 1.485 20 0 BDADRP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000353494746 538746758 /nfs/dbraw/zinc/74/67/58/538746758.db2.gz DZQBCSWLDWEYIO-IHRRRGAJSA-N 2 0 240.391 1.467 20 0 BDADRP CCc1cccnc1[C@H](C)[NH2+]CCC[NH3+] ZINC000423181514 192613490 /nfs/dbraw/zinc/61/34/90/192613490.db2.gz FZTXFMZJZSNBRJ-JTQLQIEISA-N 2 0 207.321 1.643 20 0 BDADRP COC[C@@H](C)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623378123 356900094 /nfs/dbraw/zinc/90/00/94/356900094.db2.gz UBVFRIZSMFIZQK-RYUDHWBXSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000423201091 192625579 /nfs/dbraw/zinc/62/55/79/192625579.db2.gz HIYGFEQOYIFCQX-STQMWFEESA-N 2 0 239.407 1.306 20 0 BDADRP CC[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccccc1 ZINC000423209199 192629504 /nfs/dbraw/zinc/62/95/04/192629504.db2.gz UXDLPCIJLNSNMQ-HNNXBMFYSA-N 2 0 247.386 1.633 20 0 BDADRP C(C[C@H]1CC[NH2+]C1)[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000423238697 192645793 /nfs/dbraw/zinc/64/57/93/192645793.db2.gz AQZPPFSDDBEEGP-RTXFEEFZSA-N 2 0 208.349 1.764 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc2n[nH]cc2c1 ZINC000582414412 357140301 /nfs/dbraw/zinc/14/03/01/357140301.db2.gz IMCXXZCRKFFOFC-ZJUUUORDSA-N 2 0 244.342 1.821 20 0 BDADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000392236353 357143916 /nfs/dbraw/zinc/14/39/16/357143916.db2.gz WLMNAMHXKIILNU-CHWSQXEVSA-N 3 0 223.364 1.108 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccncc1 ZINC000423243532 192649358 /nfs/dbraw/zinc/64/93/58/192649358.db2.gz GLCJJRLQINSVFB-RYUDHWBXSA-N 2 0 219.332 1.732 20 0 BDADRP CC(C)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000374420303 357160505 /nfs/dbraw/zinc/16/05/05/357160505.db2.gz LECCIDXFUONFQU-BFHYXJOUSA-N 2 0 240.391 1.826 20 0 BDADRP COC[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000423248389 192650343 /nfs/dbraw/zinc/65/03/43/192650343.db2.gz NGBBUYXXYRWDPZ-TZMCWYRMSA-N 2 0 240.391 1.781 20 0 BDADRP CC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000304329426 357163424 /nfs/dbraw/zinc/16/34/24/357163424.db2.gz UUMYMFUJBTZORV-QWHCGFSZSA-N 2 0 226.364 1.175 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)[C@@H](C)O1 ZINC000423268311 192661249 /nfs/dbraw/zinc/66/12/49/192661249.db2.gz FYRVPZUTKRPNIO-LPWJVIDDSA-N 2 0 226.364 1.532 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@H]2CCCC[C@H]2O)C1 ZINC000393337399 357281754 /nfs/dbraw/zinc/28/17/54/357281754.db2.gz UIRILFSMGCTAND-BFHYXJOUSA-N 2 0 240.391 1.469 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H]1CCCC1(C)C ZINC000393754655 357296319 /nfs/dbraw/zinc/29/63/19/357296319.db2.gz VTJNWKAZWFGUGZ-RYUDHWBXSA-N 2 0 228.380 1.467 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C(C)C)C1 ZINC000393791341 357299380 /nfs/dbraw/zinc/29/93/80/357299380.db2.gz ZDHXDVGDXZWTNG-QWHCGFSZSA-N 2 0 228.380 1.277 20 0 BDADRP C[NH2+]CC1CC[NH+](C[C@@H]2CCCC[C@H]2O)CC1 ZINC000393279849 357280630 /nfs/dbraw/zinc/28/06/30/357280630.db2.gz XQPUWNZQECOUJN-UONOGXRCSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1c[nH]nc1C(C)(C)C ZINC000582546344 357331881 /nfs/dbraw/zinc/33/18/81/357331881.db2.gz OEMVQHHIPBVKDS-VHSXEESVSA-N 2 0 238.379 1.923 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000582666818 357358575 /nfs/dbraw/zinc/35/85/75/357358575.db2.gz GTPBSGIKGTTXBW-WDEREUQCSA-N 2 0 222.332 1.658 20 0 BDADRP Cc1ccc(CC[NH2+][C@@H](C)C[C@H](C)[NH3+])cn1 ZINC000582839671 357413205 /nfs/dbraw/zinc/41/32/05/357413205.db2.gz HCAUKXYTJRQYKX-JQWIXIFHSA-N 2 0 221.348 1.648 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000583085595 357474959 /nfs/dbraw/zinc/47/49/59/357474959.db2.gz IYTACWBCYNUJKQ-MRBYEJRBSA-N 2 0 241.379 1.136 20 0 BDADRP CCN(CCC[NH+](CC)CC)C(=O)[C@H](C)C[NH3+] ZINC000230705578 357573092 /nfs/dbraw/zinc/57/30/92/357573092.db2.gz CDLFARPNIBOYJK-GFCCVEGCSA-N 2 0 243.395 1.162 20 0 BDADRP CC(C)C[C@H](N)C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000063125105 357531152 /nfs/dbraw/zinc/53/11/52/357531152.db2.gz LKNRSIMKILDFRD-AWEZNQCLSA-N 2 0 241.423 1.633 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@H](C[NH+](C)C)C2)O1 ZINC000188550319 357560296 /nfs/dbraw/zinc/56/02/96/357560296.db2.gz BMKDGMXEKBTNEG-JHJVBQTASA-N 2 0 226.364 1.437 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCc2cscn2)CC[N@@H+]1C ZINC000158882379 538869837 /nfs/dbraw/zinc/86/98/37/538869837.db2.gz CUMQIWGKGCUHRH-MNOVXSKESA-N 2 0 239.388 1.758 20 0 BDADRP [NH3+]CCC[NH2+]CCc1ccc(Cl)s1 ZINC000226347895 491113954 /nfs/dbraw/zinc/11/39/54/491113954.db2.gz FNNRMFXSUKJXER-UHFFFAOYSA-N 2 0 218.753 1.882 20 0 BDADRP C[C@H](Cc1ccsc1)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000583257240 357732744 /nfs/dbraw/zinc/73/27/44/357732744.db2.gz QQVYAXGYCVIVEE-ZJUUUORDSA-N 2 0 224.373 1.877 20 0 BDADRP C[C@@H]1CC(O)C[C@@H](C)[NH+]1CCCn1ccnc1 ZINC000191272729 357761048 /nfs/dbraw/zinc/76/10/48/357761048.db2.gz XWKNGDVZKRSDHL-VXGBXAGGSA-N 2 0 237.347 1.507 20 0 BDADRP CN(CCC[NH+]1CCCC1)C[C@H]1CCC[NH2+]C1 ZINC000234298848 357781529 /nfs/dbraw/zinc/78/15/29/357781529.db2.gz WCTHQIWPJFQLNQ-AWEZNQCLSA-N 2 0 239.407 1.404 20 0 BDADRP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CCOCC[NH+](C)C)C1 ZINC000235289244 357851885 /nfs/dbraw/zinc/85/18/85/357851885.db2.gz VIBNLYUZRVKNHT-MCIONIFRSA-N 2 0 242.407 1.979 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623416251 357831850 /nfs/dbraw/zinc/83/18/50/357831850.db2.gz OKIUPOOPGULBGU-JSGCOSHPSA-N 2 0 242.407 2.000 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000398494301 357886678 /nfs/dbraw/zinc/88/66/78/357886678.db2.gz UOYYBTMZHQPLRL-UTUOFQBUSA-N 2 0 214.353 1.397 20 0 BDADRP C[N@@H+]1CCN(CC[NH+]2CCCCC2)CC1(C)C ZINC000583760914 357936589 /nfs/dbraw/zinc/93/65/89/357936589.db2.gz ZPZKRHGJLFGSBT-UHFFFAOYSA-N 2 0 239.407 1.498 20 0 BDADRP CC[N@H+](CCN[C@H]1CCCC[C@@H]1C[NH3+])C1CC1 ZINC000217482289 134246966 /nfs/dbraw/zinc/24/69/66/134246966.db2.gz FVYIOZKBMGZLHN-OCCSQVGLSA-N 3 0 239.407 1.578 20 0 BDADRP C(C[NH2+]CC[C@@H]1CCOC1)C[NH+]1CCCC1 ZINC000220842027 358055595 /nfs/dbraw/zinc/05/55/95/358055595.db2.gz PWJBDMIIDGGXOS-CYBMUJFWSA-N 2 0 226.364 1.489 20 0 BDADRP COC1CC([NH2+]C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000221113802 358076792 /nfs/dbraw/zinc/07/67/92/358076792.db2.gz RSDPBQUTSLKNKY-UNXYVOJBSA-N 2 0 212.337 1.095 20 0 BDADRP C([NH2+][C@H]1CCC[C@H](C2CC2)C1)C1C[NH2+]C1 ZINC000423303496 192692285 /nfs/dbraw/zinc/69/22/85/192692285.db2.gz LSQZQMKOAYXOEK-STQMWFEESA-N 2 0 208.349 1.764 20 0 BDADRP Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])nc1 ZINC000583871872 358080440 /nfs/dbraw/zinc/08/04/40/358080440.db2.gz GJXUEOKUECWIPR-QWRGUYRKSA-N 2 0 207.321 1.605 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@](O)(CC)C1 ZINC000640035854 358135753 /nfs/dbraw/zinc/13/57/53/358135753.db2.gz OARWHLRMHRMYEL-CQSZACIVSA-N 2 0 242.407 1.955 20 0 BDADRP CC(C)CCOCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000218738105 134259748 /nfs/dbraw/zinc/25/97/48/134259748.db2.gz JNDJICDSFUGCLY-QWHCGFSZSA-N 2 0 228.380 1.718 20 0 BDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCC[NH3+] ZINC000584839342 358199056 /nfs/dbraw/zinc/19/90/56/358199056.db2.gz ZNTCIOZATMXVLJ-NEPJUHHUSA-N 2 0 241.379 1.104 20 0 BDADRP CCC[N@H+](CC)C[C@@H](C)N[C@H]1C[NH+](C)C[C@H]1C ZINC000584867892 358207681 /nfs/dbraw/zinc/20/76/81/358207681.db2.gz ORMHYOQULKTYON-MCIONIFRSA-N 2 0 241.423 1.647 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H](CO)Cc2ccccc2)C1 ZINC000223009646 358213836 /nfs/dbraw/zinc/21/38/36/358213836.db2.gz FSDRREZNGRPVKW-RBSFLKMASA-N 2 0 248.370 1.450 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cncs1 ZINC000131579758 491126952 /nfs/dbraw/zinc/12/69/52/491126952.db2.gz BCNMKJWXHRPZKD-SNVBAGLBSA-N 2 0 213.350 1.606 20 0 BDADRP CC[NH+](CC)C[C@@H](C)NC(=O)CC[NH2+]C(C)C ZINC000041680183 358333671 /nfs/dbraw/zinc/33/36/71/358333671.db2.gz DAJKYKRLAZAPOR-GFCCVEGCSA-N 2 0 243.395 1.221 20 0 BDADRP Cc1nn(C)cc1CN1CC[C@H]([NH3+])C[C@H]1C ZINC000228328842 358374236 /nfs/dbraw/zinc/37/42/36/358374236.db2.gz JEJKDUKKJBNMBE-SKDRFNHKSA-N 2 0 222.336 1.040 20 0 BDADRP C[NH2+]CCC[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000228394766 358374465 /nfs/dbraw/zinc/37/44/65/358374465.db2.gz YEHQMAQMKSHSMJ-UHFFFAOYSA-N 2 0 244.342 1.571 20 0 BDADRP Cc1cnccc1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000229662102 358405883 /nfs/dbraw/zinc/40/58/83/358405883.db2.gz PSJKPCVKNZDOSO-ZDUSSCGKSA-N 2 0 233.359 1.821 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC[C@@H]1CCCO1 ZINC000044510348 358388504 /nfs/dbraw/zinc/38/85/04/358388504.db2.gz BCDMCJMCPHYNAA-WOPDTQHZSA-N 2 0 212.337 1.367 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccno3)C[C@@H]21 ZINC000230047626 358391094 /nfs/dbraw/zinc/39/10/94/358391094.db2.gz RIYWGXPNENGPIK-ZMLRMANQSA-N 2 0 221.304 1.234 20 0 BDADRP CC[C@@H](CCO)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623428300 358445361 /nfs/dbraw/zinc/44/53/61/358445361.db2.gz FVJHOTUNGVTRIF-NWDGAFQWSA-N 2 0 228.380 1.610 20 0 BDADRP CCCC[C@@H](C)[NH2+]CCOCC[NH+](C)C ZINC000219316335 134281415 /nfs/dbraw/zinc/28/14/15/134281415.db2.gz GZWSKVDLDZTIGZ-GFCCVEGCSA-N 2 0 216.369 1.733 20 0 BDADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)C1(C)CC1 ZINC000219312580 134281439 /nfs/dbraw/zinc/28/14/39/134281439.db2.gz ZQGZRPKOJGXMOL-LLVKDONJSA-N 2 0 214.353 1.343 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[NH+](C2CC2)CC1 ZINC000042491221 358524235 /nfs/dbraw/zinc/52/42/35/358524235.db2.gz MFALHXPXOOMDRQ-LBPRGKRZSA-N 2 0 225.380 1.140 20 0 BDADRP CC(C)[NH+]1CCC(N[C@@H](C)C[NH+](C)C)CC1 ZINC000130160322 358610888 /nfs/dbraw/zinc/61/08/88/358610888.db2.gz SDIMDHGLZMCKOJ-LBPRGKRZSA-N 2 0 227.396 1.399 20 0 BDADRP Cc1nccn1CC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000130154386 358610911 /nfs/dbraw/zinc/61/09/11/358610911.db2.gz QBKNZEFZMHJDCV-WCQYABFASA-N 2 0 236.363 1.121 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@@](C)(O)C(C)C)CC1 ZINC000130949195 358654954 /nfs/dbraw/zinc/65/49/54/358654954.db2.gz NJEGIMUSCDXYBD-CQSZACIVSA-N 2 0 242.407 1.857 20 0 BDADRP [NH3+]C1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000049311934 358681191 /nfs/dbraw/zinc/68/11/91/358681191.db2.gz PBTGYXNDRXXQJR-UHFFFAOYSA-N 2 0 240.269 1.379 20 0 BDADRP CC[NH+]1CCC(N[C@H](C)CC[NH+](C)C)CC1 ZINC000049551855 358694047 /nfs/dbraw/zinc/69/40/47/358694047.db2.gz WJIVGYQMGSYNRW-GFCCVEGCSA-N 2 0 227.396 1.401 20 0 BDADRP CC(C)[C@H](CO)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132170242 358709813 /nfs/dbraw/zinc/70/98/13/358709813.db2.gz DOTDWQFRHDVYEW-IHRRRGAJSA-N 2 0 234.343 1.738 20 0 BDADRP C[C@H](CCO)[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000132480862 358723905 /nfs/dbraw/zinc/72/39/05/358723905.db2.gz SMIMYGBSKZNCEU-UPJWGTAASA-N 2 0 228.380 1.658 20 0 BDADRP CCC(CC)C[N@H+](CC)C[C@@](C)(O)C[NH2+]C ZINC000578241923 366468081 /nfs/dbraw/zinc/46/80/81/366468081.db2.gz ANCLQUOZWAKTNN-ZDUSSCGKSA-N 2 0 230.396 1.715 20 0 BDADRP C[NH+](C)CCC[NH2+]C1CC(OC(C)(C)C)C1 ZINC000134542689 358794550 /nfs/dbraw/zinc/79/45/50/358794550.db2.gz LMAUCSZGDCLMRS-UHFFFAOYSA-N 2 0 228.380 1.874 20 0 BDADRP C[N@H+](C[C@H]1CCCO1)C[C@@]1(C)CC[NH2+]C1 ZINC000219860129 134292004 /nfs/dbraw/zinc/29/20/04/134292004.db2.gz PCHJDPMOVTUYHV-NEPJUHHUSA-N 2 0 212.337 1.097 20 0 BDADRP [NH3+]CC1CCC([NH2+]Cc2ncccc2F)CC1 ZINC000578314016 366496348 /nfs/dbraw/zinc/49/63/48/366496348.db2.gz RJSDKSAIQBAPEJ-UHFFFAOYSA-N 2 0 237.322 1.828 20 0 BDADRP C[C@H](CC[NH3+])[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000136140178 358865382 /nfs/dbraw/zinc/86/53/82/358865382.db2.gz ISOWLGRRHQUMOG-GFCCVEGCSA-N 2 0 244.342 1.699 20 0 BDADRP CC[NH+](CC)C[C@@H](O)C[N@H+](C)C(C)C ZINC000308658655 491137630 /nfs/dbraw/zinc/13/76/30/491137630.db2.gz OTETWBRTEKHJFA-NSHDSACASA-N 2 0 202.342 1.029 20 0 BDADRP CC[NH+](CC)C[C@H](O)C[N@H+](C)C(C)C ZINC000308658654 491137639 /nfs/dbraw/zinc/13/76/39/491137639.db2.gz OTETWBRTEKHJFA-LLVKDONJSA-N 2 0 202.342 1.029 20 0 BDADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H]1CCCO1 ZINC000138115282 358903019 /nfs/dbraw/zinc/90/30/19/358903019.db2.gz ISEFRBAIUMNGSI-RKFYDKJMSA-N 2 0 238.375 1.769 20 0 BDADRP C[N@@H+]1CCCN(CCC[NH2+]CC(C)(C)C)CC1 ZINC000105476231 358973413 /nfs/dbraw/zinc/97/34/13/358973413.db2.gz LYPFJCURDSGCMR-UHFFFAOYSA-N 2 0 241.423 1.650 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)C[NH3+])C12CCCC2 ZINC000423310289 192697091 /nfs/dbraw/zinc/69/70/91/192697091.db2.gz RRVOFUKMQGVRFX-YNEHKIRRSA-N 2 0 240.391 1.909 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCSC2)CC1(C)C ZINC000623432734 358946209 /nfs/dbraw/zinc/94/62/09/358946209.db2.gz HZPDDPQXSUUNPD-WDEREUQCSA-N 2 0 228.405 1.954 20 0 BDADRP [NH3+]CCCC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000423319972 192705046 /nfs/dbraw/zinc/70/50/46/192705046.db2.gz FVISEFJDOWXAOS-GRYCIOLGSA-N 2 0 224.348 1.273 20 0 BDADRP COCC[C@H]1CCC[C@@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000423345840 192722574 /nfs/dbraw/zinc/72/25/74/192722574.db2.gz GGDHSZWDSXLFFU-KGLIPLIRSA-N 2 0 238.375 1.701 20 0 BDADRP C[N@H+](CCCCCO)CC[C@@H]1CCCC[NH+]1C ZINC000075860193 359229804 /nfs/dbraw/zinc/22/98/04/359229804.db2.gz KTDJOSAPPJJLEP-AWEZNQCLSA-N 2 0 242.407 1.955 20 0 BDADRP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CC(C)(C)O ZINC000075861028 359230389 /nfs/dbraw/zinc/23/03/89/359230389.db2.gz ZCFHIGPKZPKTTO-LBPRGKRZSA-N 2 0 228.380 1.564 20 0 BDADRP C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)[C@@H]1CCCO1 ZINC000423391155 192763154 /nfs/dbraw/zinc/76/31/54/192763154.db2.gz PKSPOKCJBYXZNT-ABAIWWIYSA-N 2 0 246.354 1.947 20 0 BDADRP CC[C@@H]([NH2+][C@H](C)CCCC[NH3+])c1cnn(C)c1 ZINC000423445120 192771991 /nfs/dbraw/zinc/77/19/91/192771991.db2.gz XMIVCQDPLWZDFK-DGCLKSJQSA-N 2 0 238.379 1.978 20 0 BDADRP COC[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)C1CC1 ZINC000423492678 192793473 /nfs/dbraw/zinc/79/34/73/192793473.db2.gz ODJOZGCEFGQDLF-USWWRNFRSA-N 2 0 212.337 1.128 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCc2ccccc2OC1)[C@H](C)[NH3+] ZINC000423486553 192791868 /nfs/dbraw/zinc/79/18/68/192791868.db2.gz ZOCVAPBKZLGSAU-LOWVWBTDSA-N 2 0 234.343 1.706 20 0 BDADRP COCC1CCC([NH2+][C@@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000423521017 192801535 /nfs/dbraw/zinc/80/15/35/192801535.db2.gz WVKKUJKCEDQRGC-GNRIBBGQSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)[C@H]1CCCO1 ZINC000423539709 192808192 /nfs/dbraw/zinc/80/81/92/192808192.db2.gz PCIAXRWSTMURHP-WCQYABFASA-N 2 0 224.348 1.453 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000379549815 359547998 /nfs/dbraw/zinc/54/79/98/359547998.db2.gz MSKLUHWSHNPJKM-UTUOFQBUSA-N 2 0 210.365 1.948 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)CCO1 ZINC000423558956 192812857 /nfs/dbraw/zinc/81/28/57/192812857.db2.gz SRLQHKVISLVIHH-RVMXOQNASA-N 2 0 226.364 1.674 20 0 BDADRP C[C@H]1C[C@@H](NCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000379652684 359574629 /nfs/dbraw/zinc/57/46/29/359574629.db2.gz XRHVHBKABIFHNC-ZFWWWQNUSA-N 2 0 247.386 1.588 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]C2CSC2)CC1 ZINC000306320808 359606202 /nfs/dbraw/zinc/60/62/02/359606202.db2.gz SZONXTRSSRBVCI-UHFFFAOYSA-N 2 0 214.378 1.564 20 0 BDADRP COCCC[C@H](C)[NH2+][C@H]1CCCN(C)C1 ZINC000309044539 491143290 /nfs/dbraw/zinc/14/32/90/491143290.db2.gz NMJIUGIGSYGEIR-RYUDHWBXSA-N 2 0 214.353 1.485 20 0 BDADRP COCCC[C@@H](C)[NH2+][C@@H]1CCCN(C)C1 ZINC000309044540 491143315 /nfs/dbraw/zinc/14/33/15/491143315.db2.gz NMJIUGIGSYGEIR-VXGBXAGGSA-N 2 0 214.353 1.485 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCOC2)CC1(C)C ZINC000623471312 359856937 /nfs/dbraw/zinc/85/69/37/359856937.db2.gz WTUPVUVOOVQWMB-QWRGUYRKSA-N 2 0 212.337 1.238 20 0 BDADRP C[NH2+]CCC1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000087266439 359904414 /nfs/dbraw/zinc/90/44/14/359904414.db2.gz NSKWANJOOQODST-AWEZNQCLSA-N 2 0 240.391 1.877 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@H](COC)C(C)C ZINC000087477261 359914646 /nfs/dbraw/zinc/91/46/46/359914646.db2.gz BBTGFPSHZPGTHU-CYBMUJFWSA-N 2 0 230.396 1.979 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccncc1 ZINC000087646104 359921813 /nfs/dbraw/zinc/92/18/13/359921813.db2.gz GODBAERAGSOYTK-RYUDHWBXSA-N 2 0 219.332 1.732 20 0 BDADRP CC[C@H]1[C@@H](CO)CC[N@@H+]1CCC[NH+](CC)CC ZINC000451260885 202389542 /nfs/dbraw/zinc/38/95/42/202389542.db2.gz VDMSMDZFOJZUIJ-KGLIPLIRSA-N 2 0 242.407 1.811 20 0 BDADRP CC(C)CCOCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000088329851 359947282 /nfs/dbraw/zinc/94/72/82/359947282.db2.gz NHPYDONJUXJJBP-STQMWFEESA-N 2 0 226.364 1.200 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](Cc2cccc(COC)c2)C1 ZINC000088555237 359966069 /nfs/dbraw/zinc/96/60/69/359966069.db2.gz WJWZSZRJZIVTKH-HNNXBMFYSA-N 2 0 248.370 1.874 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC1(O)CCCCC1 ZINC000089146687 359992805 /nfs/dbraw/zinc/99/28/05/359992805.db2.gz YYEFIKSUSJVZRJ-STQMWFEESA-N 2 0 240.391 1.789 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCCOCC1CC1 ZINC000089140587 359993042 /nfs/dbraw/zinc/99/30/42/359993042.db2.gz UWTHAWMYKCWFCI-ZIAGYGMSSA-N 2 0 240.391 1.910 20 0 BDADRP Cc1n[nH]cc1CN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253947 360159794 /nfs/dbraw/zinc/15/97/94/360159794.db2.gz QUPGLXINIHYLSF-GFCCVEGCSA-N 2 0 236.363 1.492 20 0 BDADRP CN1CCN(C)[C@@H](C[NH2+][C@H]2CCCC2(C)C)C1 ZINC000094308967 360303117 /nfs/dbraw/zinc/30/31/17/360303117.db2.gz XUXHDQDLDSHLMH-STQMWFEESA-N 2 0 239.407 1.401 20 0 BDADRP CC[C@@H](CCO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000094948749 360328540 /nfs/dbraw/zinc/32/85/40/360328540.db2.gz IRCZHJLVPHKWEC-FUDCBSFHSA-N 2 0 240.391 1.610 20 0 BDADRP CC[C@H](CCO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000094948750 360328666 /nfs/dbraw/zinc/32/86/66/360328666.db2.gz IRCZHJLVPHKWEC-RLAWYHOSSA-N 2 0 240.391 1.610 20 0 BDADRP CCOC1CC([NH2+][C@@H](C)CC[NH+](C)C)C1 ZINC000162785493 360762495 /nfs/dbraw/zinc/76/24/95/360762495.db2.gz MLBRYHJYFOLRRM-UNXYVOJBSA-N 2 0 214.353 1.484 20 0 BDADRP CC1CCC([NH2+]CCCN2CC[NH2+]CC2)CC1 ZINC000414787958 200763269 /nfs/dbraw/zinc/76/32/69/200763269.db2.gz ZWIJCTLVSJOIDE-UHFFFAOYSA-N 2 0 239.407 1.450 20 0 BDADRP [NH3+]C1(C[NH2+]C2Cc3ccccc3C2)CCOCC1 ZINC000629387635 361039999 /nfs/dbraw/zinc/03/99/99/361039999.db2.gz JRAFXXPFHDCNQC-UHFFFAOYSA-N 2 0 246.354 1.251 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CC2([NH3+])CCOCC2)[C@H](C)C1 ZINC000629388073 361040053 /nfs/dbraw/zinc/04/00/53/361040053.db2.gz MJUQEZNHBVWSDL-UPJWGTAASA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H]1CCCC[C@@H]1C[NH2+]CC1([NH3+])CCOCC1 ZINC000629387695 361040375 /nfs/dbraw/zinc/04/03/75/361040375.db2.gz JKCCFFODTORRJY-CHWSQXEVSA-N 2 0 240.391 1.910 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000629392746 361042362 /nfs/dbraw/zinc/04/23/62/361042362.db2.gz SSHSSKSKMIALSO-RWMBFGLXSA-N 2 0 228.380 1.637 20 0 BDADRP COc1cccc(C[NH2+]CCOCCC[NH3+])c1 ZINC000629397889 361047594 /nfs/dbraw/zinc/04/75/94/361047594.db2.gz GAKHUUARSFJKJJ-UHFFFAOYSA-N 2 0 238.331 1.150 20 0 BDADRP [NH3+]CCCOCC[NH2+]Cc1cc2ccccc2o1 ZINC000629398382 361048754 /nfs/dbraw/zinc/04/87/54/361048754.db2.gz SFXAPSLYUNZPBC-UHFFFAOYSA-N 2 0 248.326 1.888 20 0 BDADRP CC(C)C[C@H](C)[NH2+]CCOCCC[NH3+] ZINC000629398172 361048853 /nfs/dbraw/zinc/04/88/53/361048853.db2.gz OBCUNUDEONMOOO-NSHDSACASA-N 2 0 202.342 1.376 20 0 BDADRP Cc1ccc(C[NH2+]CCOCCC[NH3+])s1 ZINC000629398420 361048985 /nfs/dbraw/zinc/04/89/85/361048985.db2.gz SVHSMHQPTYXDOI-UHFFFAOYSA-N 2 0 228.361 1.512 20 0 BDADRP CCC[C@H](CC)[NH2+]CCOCCC[NH3+] ZINC000629398549 361049248 /nfs/dbraw/zinc/04/92/48/361049248.db2.gz FIUQAFVKGXCXBH-NSHDSACASA-N 2 0 202.342 1.520 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCOCCC[NH3+])C[C@@H](C)C1 ZINC000629398351 361049505 /nfs/dbraw/zinc/04/95/05/361049505.db2.gz BSAFLCOZRULZCO-ITGUQSILSA-N 2 0 228.380 1.766 20 0 BDADRP [NH3+]CCCOCC[NH2+]C1Cc2ccccc2C1 ZINC000629398237 361049510 /nfs/dbraw/zinc/04/95/10/361049510.db2.gz PNCZLRHBPFSKKR-UHFFFAOYSA-N 2 0 234.343 1.109 20 0 BDADRP [NH3+]CCCOCC[NH2+]Cc1cc(F)ccc1F ZINC000629399846 361050901 /nfs/dbraw/zinc/05/09/01/361050901.db2.gz XDPICQSYFLILBW-UHFFFAOYSA-N 2 0 244.285 1.420 20 0 BDADRP C[C@H](CCC(F)(F)F)[NH2+]CCOCCC[NH3+] ZINC000629399925 361051050 /nfs/dbraw/zinc/05/10/50/361051050.db2.gz MHXLGSNFVGUDTC-SECBINFHSA-N 2 0 242.285 1.672 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000629402771 361052939 /nfs/dbraw/zinc/05/29/39/361052939.db2.gz FEGHEDCSLVFKHP-CHWSQXEVSA-N 2 0 244.379 1.016 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H](C)CC1CCCC1 ZINC000629406845 361053658 /nfs/dbraw/zinc/05/36/58/361053658.db2.gz ZGMABKORLGIKSH-LBPRGKRZSA-N 2 0 228.380 1.781 20 0 BDADRP CC(C)[NH+]1CCC(N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000629407065 361054807 /nfs/dbraw/zinc/05/48/07/361054807.db2.gz WGWDENRJSFGNMU-WCQYABFASA-N 2 0 225.380 1.199 20 0 BDADRP CCCn1cc(CN[C@@H]2CC[C@@H](C)[NH2+]C2)cn1 ZINC000629418405 361063341 /nfs/dbraw/zinc/06/33/41/361063341.db2.gz XWNLPZYEXOCKQT-DGCLKSJQSA-N 2 0 236.363 1.523 20 0 BDADRP CC[C@H](O)CC[NH2+]C1CC[NH+](CC)CC1 ZINC000157392358 361080873 /nfs/dbraw/zinc/08/08/73/361080873.db2.gz QWMVNQJOOFJIMH-LBPRGKRZSA-N 2 0 214.353 1.221 20 0 BDADRP C[C@H]([NH2+]CC1([NH3+])CCOCC1)[C@@H]1C[C@H]1C ZINC000629518631 361118918 /nfs/dbraw/zinc/11/89/18/361118918.db2.gz AHTZVBBLFKSROC-OUAUKWLOSA-N 2 0 212.337 1.128 20 0 BDADRP C[C@H]1CC(C)(C)C[C@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629518708 361118939 /nfs/dbraw/zinc/11/89/39/361118939.db2.gz BPULNPOMQJSRRR-NWDGAFQWSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@H](C[NH3+])N(C)C[C@H](C[NH3+])c1ccc(F)cc1 ZINC000424268823 200896299 /nfs/dbraw/zinc/89/62/99/200896299.db2.gz LSOXKQFFIAWMSW-PWSUYJOCSA-N 2 0 239.338 1.147 20 0 BDADRP CCO[C@H](C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1)C1CC1 ZINC000629509367 361103457 /nfs/dbraw/zinc/10/34/57/361103457.db2.gz DKVMSEQDUOPGRR-KGYLQXTDSA-N 2 0 226.364 1.471 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000629511940 361105788 /nfs/dbraw/zinc/10/57/88/361105788.db2.gz CKTQNPSJXGNAHP-RRFJBIMHSA-N 2 0 246.354 1.597 20 0 BDADRP CCO[C@H](C[NH2+][C@](C)(C[NH3+])C1CC1)C1CC1 ZINC000629514465 361112204 /nfs/dbraw/zinc/11/22/04/361112204.db2.gz MCQCTAIOUNLFHH-CHWSQXEVSA-N 2 0 226.364 1.519 20 0 BDADRP C1=CCC(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000629515342 361112679 /nfs/dbraw/zinc/11/26/79/361112679.db2.gz OTWQCZDOLXPVKD-HZSPNIEDSA-N 2 0 220.360 1.930 20 0 BDADRP CCO[C@H](C[N@H+](C)CCC[NH3+])C1CC1 ZINC000629515424 361114049 /nfs/dbraw/zinc/11/40/49/361114049.db2.gz SHIUYQKHVAYUOW-LLVKDONJSA-N 2 0 200.326 1.082 20 0 BDADRP C[C@@H]1CCC[C@@H](C)C1[NH2+]CC1([NH3+])CCOCC1 ZINC000629520529 361116580 /nfs/dbraw/zinc/11/65/80/361116580.db2.gz GYKLFZKXRBDCHN-VXGBXAGGSA-N 2 0 240.391 1.909 20 0 BDADRP CC[C@@H](N[C@@H]1CC[NH2+][C@H]1CC)[C@@H]1CCC[NH2+]1 ZINC000629527728 361133920 /nfs/dbraw/zinc/13/39/20/361133920.db2.gz DEDCNHXHPSYOOL-QNWHQSFQSA-N 2 0 225.380 1.247 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CCc2ccccc21 ZINC000629528515 361137366 /nfs/dbraw/zinc/13/73/66/361137366.db2.gz BCJFVIUPGYADJQ-CQSZACIVSA-N 2 0 234.343 1.500 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000629528720 361138116 /nfs/dbraw/zinc/13/81/16/361138116.db2.gz HRGOWARQWOFZMV-IUODEOHRSA-N 2 0 248.370 1.746 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1cc(C)oc1C ZINC000629529814 361140442 /nfs/dbraw/zinc/14/04/42/361140442.db2.gz NIZBOAISPTYTIN-NSHDSACASA-N 2 0 240.347 1.783 20 0 BDADRP CC[C@@H]1CC[C@@H]1[NH2+]CCOCC[NH2+]C ZINC000629530553 361144529 /nfs/dbraw/zinc/14/45/29/361144529.db2.gz JTAOZYJSVJXOJT-MNOVXSKESA-N 2 0 200.326 1.001 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CCCC12CCC2 ZINC000629530559 361144754 /nfs/dbraw/zinc/14/47/54/361144754.db2.gz JUTDGGLJSHPPJR-GFCCVEGCSA-N 2 0 226.364 1.535 20 0 BDADRP CCC(C)(C)[C@H](C)[NH2+]CCOCC[NH2+]C ZINC000629530618 361145851 /nfs/dbraw/zinc/14/58/51/361145851.db2.gz LNVOXXIJUJEAHG-NSHDSACASA-N 2 0 216.369 1.637 20 0 BDADRP CC[C@@H](C)[C@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629523231 361124550 /nfs/dbraw/zinc/12/45/50/361124550.db2.gz CBUPHIWQHYTWFR-MNOVXSKESA-N 2 0 214.353 1.519 20 0 BDADRP CC(C)[NH2+]CCC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000579091370 366707826 /nfs/dbraw/zinc/70/78/26/366707826.db2.gz QXRRCPBKBWSALK-GFCCVEGCSA-N 2 0 241.379 1.023 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H](F)C1)[C@@H]1CC[NH2+]C1 ZINC000579232638 366728974 /nfs/dbraw/zinc/72/89/74/366728974.db2.gz RWEPQHSMMJOCPR-IRCOFANPSA-N 2 0 214.328 1.855 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CC1(F)F)[C@H]1CCC[NH2+]1 ZINC000622044022 370672759 /nfs/dbraw/zinc/67/27/59/370672759.db2.gz RXRHQXOXXRVJON-LPEHRKFASA-N 2 0 218.291 1.762 20 0 BDADRP COCC[C@H]1CCC[C@H]1[NH2+]CC[C@H](C)[NH3+] ZINC000622044948 370674067 /nfs/dbraw/zinc/67/40/67/370674067.db2.gz YPTCAPBOIHTISO-QJPTWQEYSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CC1(F)F)C1C[NH2+]C1 ZINC000622043946 370675641 /nfs/dbraw/zinc/67/56/41/370675641.db2.gz PZKQEVWOYJKVJA-IONNQARKSA-N 2 0 204.264 1.229 20 0 BDADRP c1ccc(SCC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000079618529 370680718 /nfs/dbraw/zinc/68/07/18/370680718.db2.gz NHVYVLQDKUXIHZ-STQMWFEESA-N 2 0 248.395 1.930 20 0 BDADRP CC[NH+](CC)CCC[N@H+](C)C[C@H](C)C(=O)NC ZINC000191803932 361366316 /nfs/dbraw/zinc/36/63/16/361366316.db2.gz VXRTUGHRCZSSGY-LBPRGKRZSA-N 2 0 243.395 1.032 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCCC(C)(C)CO)CC[N@@H+]1C ZINC000163170189 361388384 /nfs/dbraw/zinc/38/83/84/361388384.db2.gz GKKKQOSVWMMGMN-STQMWFEESA-N 2 0 242.407 1.857 20 0 BDADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+]CCOCCC[NH3+])C1 ZINC000629539241 361404685 /nfs/dbraw/zinc/40/46/85/361404685.db2.gz PBKKUSOCXDAAPY-FRRDWIJNSA-N 2 0 228.380 1.766 20 0 BDADRP C[NH+](C)[C@@H]1CCC[N@H+](CC[C@@H]2CCCO2)CC1 ZINC000429528675 201113283 /nfs/dbraw/zinc/11/32/83/201113283.db2.gz NFCIRHWZMNOEOZ-KGLIPLIRSA-N 2 0 240.391 1.972 20 0 BDADRP COC[C@@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000380253206 366761130 /nfs/dbraw/zinc/76/11/30/366761130.db2.gz PRJKEOUJVZLPTB-WOPDTQHZSA-N 2 0 212.337 1.238 20 0 BDADRP [NH3+]C1(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CCC1 ZINC000333110334 181332656 /nfs/dbraw/zinc/33/26/56/181332656.db2.gz GGWXEDXTMFEEEL-JHJVBQTASA-N 2 0 237.391 1.378 20 0 BDADRP [NH3+]C1(C[NH2+]CCc2ccc3c(c2)CCO3)CCC1 ZINC000342169747 181332799 /nfs/dbraw/zinc/33/27/99/181332799.db2.gz QACSVHVTQRGZQT-UHFFFAOYSA-N 2 0 246.354 1.635 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)C1CCSCC1 ZINC000629543888 361413031 /nfs/dbraw/zinc/41/30/31/361413031.db2.gz FHZQJXIXBLXNIG-JFGNBEQYSA-N 2 0 228.405 1.858 20 0 BDADRP [NH3+]CCCOCC[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000629539998 361413079 /nfs/dbraw/zinc/41/30/79/361413079.db2.gz RPYVFBPDQUSNGE-CHWSQXEVSA-N 2 0 226.364 1.520 20 0 BDADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1CC[NH2+][C@H]1C ZINC000629544832 361424354 /nfs/dbraw/zinc/42/43/54/361424354.db2.gz JTFMVLJHAZZXMN-VIRABCJISA-N 2 0 247.386 1.285 20 0 BDADRP CC[C@H](C)C[NH+]1CCC([NH2+]CCOC)CC1 ZINC000579480373 366824944 /nfs/dbraw/zinc/82/49/44/366824944.db2.gz RPYNUGPTHLSCKV-LBPRGKRZSA-N 2 0 228.380 1.733 20 0 BDADRP CCO[C@H](C[NH+]1CCC(CC[NH3+])CC1)C1CC1 ZINC000629547633 361431980 /nfs/dbraw/zinc/43/19/80/361431980.db2.gz LDQDURWESHYLRX-CQSZACIVSA-N 2 0 240.391 1.862 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC000629549551 361441299 /nfs/dbraw/zinc/44/12/99/361441299.db2.gz RYALJJLFKUZFAF-FFKWVLBGSA-N 2 0 238.375 1.661 20 0 BDADRP C[N@@H+]1CCC[C@H]1CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000629551808 361443833 /nfs/dbraw/zinc/44/38/33/361443833.db2.gz XSHMJWSYGFSMPP-CQDKDKBSSA-N 2 0 245.370 1.815 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000629555218 361446373 /nfs/dbraw/zinc/44/63/73/361446373.db2.gz SAXWMQVGPYXYCD-GYSPRSAJSA-N 2 0 224.348 1.284 20 0 BDADRP CCn1cc([C@H](C)N[C@@H]2CC[C@@H](C)[NH2+]C2)cn1 ZINC000629541544 361416338 /nfs/dbraw/zinc/41/63/38/361416338.db2.gz WEGVHQKDJLJILU-NTZNESFSSA-N 2 0 236.363 1.694 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CN1 ZINC000629542039 361417619 /nfs/dbraw/zinc/41/76/19/361417619.db2.gz XFYZCQURTVDSNK-KSTCHIGDSA-N 2 0 237.391 1.105 20 0 BDADRP Cc1ccc([C@H](C)[NH2+]CCOCCC[NH3+])o1 ZINC000629542467 361419069 /nfs/dbraw/zinc/41/90/69/361419069.db2.gz ZWODBCYTROBBFD-NSHDSACASA-N 2 0 226.320 1.604 20 0 BDADRP C([C@H]1CCC2(C[NH2+]C2)O1)[NH+](C1CC1)C1CC1 ZINC000629569689 361461958 /nfs/dbraw/zinc/46/19/58/361461958.db2.gz YUZICSVPCWTRJF-GFCCVEGCSA-N 2 0 222.332 1.134 20 0 BDADRP Cc1nc(C)c(C[N@H+](C)CCOCC[NH3+])s1 ZINC000629577431 361468323 /nfs/dbraw/zinc/46/83/23/361468323.db2.gz HTNUWCGXZMQGPM-UHFFFAOYSA-N 2 0 243.376 1.167 20 0 BDADRP CC(C)=CCC[N@H+](C)CCOCC[NH3+] ZINC000629580974 361471221 /nfs/dbraw/zinc/47/12/21/361471221.db2.gz HYBDLHMGRZUIAB-UHFFFAOYSA-N 2 0 200.326 1.250 20 0 BDADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCCC2(CC2)CC1 ZINC000629586778 361475518 /nfs/dbraw/zinc/47/55/18/361475518.db2.gz VDWWUYBYJFWXDE-GFCCVEGCSA-N 2 0 226.364 1.223 20 0 BDADRP C/C=C\C[C@@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000629595551 361481803 /nfs/dbraw/zinc/48/18/03/361481803.db2.gz SCWMEBMKVUNXFC-XQJDBVBESA-N 2 0 226.364 1.640 20 0 BDADRP O[C@@H](C[NH2+]CC[C@H]1CC1(F)F)C[NH+]1CCCC1 ZINC000629595808 361483197 /nfs/dbraw/zinc/48/31/97/361483197.db2.gz QQVRQQDBVRKWST-QWRGUYRKSA-N 2 0 248.317 1.078 20 0 BDADRP [NH3+]C[C@H]1C[N@H+](CC2CC2)CC[C@H]1C(F)(F)F ZINC000629561777 361456548 /nfs/dbraw/zinc/45/65/48/361456548.db2.gz JGZHHOKESWXCBW-VHSXEESVSA-N 2 0 236.281 1.856 20 0 BDADRP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)C1CCC1 ZINC000629654669 361558935 /nfs/dbraw/zinc/55/89/35/361558935.db2.gz PDVOCCAVZNLLMK-SNVBAGLBSA-N 2 0 212.337 1.273 20 0 BDADRP COCCCC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152407921 201199201 /nfs/dbraw/zinc/19/92/01/201199201.db2.gz GMXVEPPFVIKQBT-ZDUSSCGKSA-N 2 0 228.380 1.687 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000629655565 361560729 /nfs/dbraw/zinc/56/07/29/361560729.db2.gz ZTMOBAVEBBUPDG-FVCCEPFGSA-N 3 0 225.380 1.105 20 0 BDADRP COCc1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)o1 ZINC000629647956 361539263 /nfs/dbraw/zinc/53/92/63/361539263.db2.gz LXYLPVIQQFGZHO-LLVKDONJSA-N 2 0 238.331 1.515 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2ccn(C)c2)C[C@@H]1C[NH3+] ZINC000629648484 361540797 /nfs/dbraw/zinc/54/07/97/361540797.db2.gz PCWWUCKCESPWID-YPMHNXCESA-N 2 0 221.348 1.442 20 0 BDADRP C[C@@H](C[C@@H]1CCC[NH2+]1)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629659442 361562916 /nfs/dbraw/zinc/56/29/16/361562916.db2.gz AAFNZJNBRQZTLK-VOAKCMCISA-N 2 0 225.380 1.247 20 0 BDADRP C[C@H]1CC[C@@H](NCC[NH2+]C(C)(C)C)C[NH2+]1 ZINC000629659978 361564334 /nfs/dbraw/zinc/56/43/34/361564334.db2.gz KXVCNGLDKCZZJM-WDEREUQCSA-N 2 0 213.369 1.105 20 0 BDADRP COCc1ccc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)o1 ZINC000629649190 361542980 /nfs/dbraw/zinc/54/29/80/361542980.db2.gz LELHQCYIAUEIPD-WDEREUQCSA-N 2 0 238.331 1.643 20 0 BDADRP Cn1ccc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)c1 ZINC000629649328 361544691 /nfs/dbraw/zinc/54/46/91/361544691.db2.gz PSMCCTCNMZXCEX-JQWIXIFHSA-N 2 0 207.321 1.242 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccn(C)c1 ZINC000629649895 361546846 /nfs/dbraw/zinc/54/68/46/361546846.db2.gz JVWCGXHAEUFATP-PWSUYJOCSA-N 2 0 207.321 1.337 20 0 BDADRP C[C@@H]1CCC[N@H+](CC2=CCCOC2)[C@H]1CC[NH3+] ZINC000629650555 361548136 /nfs/dbraw/zinc/54/81/36/361548136.db2.gz VYTGZDOGCHKYDS-OCCSQVGLSA-N 2 0 238.375 1.782 20 0 BDADRP Cn1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000629652300 361549843 /nfs/dbraw/zinc/54/98/43/361549843.db2.gz ZBFWEKZTAMMSHE-UHFFFAOYSA-N 2 0 233.359 1.742 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)Cc1ccc(C)s1 ZINC000629653610 361553485 /nfs/dbraw/zinc/55/34/85/361553485.db2.gz RAQYPQJBRRGYJA-UHFFFAOYSA-N 2 0 242.388 1.724 20 0 BDADRP C[N@H+](C[C@@H]1CCC[NH+](C)C1)C[C@@H]1CCCCO1 ZINC000152359618 201195621 /nfs/dbraw/zinc/19/56/21/201195621.db2.gz BDVHJRWKFSPLOB-KGLIPLIRSA-N 2 0 240.391 1.829 20 0 BDADRP COC[C@@H](C)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629661465 361594179 /nfs/dbraw/zinc/59/41/79/361594179.db2.gz BEOQXQCUDNLUEE-RWMBFGLXSA-N 2 0 226.364 1.200 20 0 BDADRP CCc1ccc(C[N@H+](C)CCOCC[NH3+])s1 ZINC000629661619 361594617 /nfs/dbraw/zinc/59/46/17/361594617.db2.gz DIKSVHUKRKAPQE-UHFFFAOYSA-N 2 0 242.388 1.718 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@@H](CCF)C2)CC[NH2+]1 ZINC000629666483 361587405 /nfs/dbraw/zinc/58/74/05/361587405.db2.gz REMFRRTWIXWUHB-UPJWGTAASA-N 2 0 244.354 1.435 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629669791 361589472 /nfs/dbraw/zinc/58/94/72/361589472.db2.gz XOHAOAZBBRYGME-MCIONIFRSA-N 2 0 239.407 1.291 20 0 BDADRP CCO[C@@H]1C[C@H]([N@H+](C)CCC[NH2+]C)C1(C)C ZINC000435876916 201292030 /nfs/dbraw/zinc/29/20/30/201292030.db2.gz LOSVMFJMGOLOGQ-NWDGAFQWSA-N 2 0 228.380 1.731 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000435883567 201295871 /nfs/dbraw/zinc/29/58/71/201295871.db2.gz ZTTQKNHIHNQMEC-LLVKDONJSA-N 2 0 222.336 1.199 20 0 BDADRP C[NH2+]CCCN1CC[NH+](CCC(C)(C)C)CC1 ZINC000435881736 201296005 /nfs/dbraw/zinc/29/60/05/201296005.db2.gz CAFIREICWFTEKP-UHFFFAOYSA-N 2 0 241.423 1.650 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000435884982 201296567 /nfs/dbraw/zinc/29/65/67/201296567.db2.gz ZHHAMYADXGYTDM-GFCCVEGCSA-N 2 0 236.363 1.209 20 0 BDADRP CC[C@@H](C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000155052003 201300421 /nfs/dbraw/zinc/30/04/21/201300421.db2.gz GARWQYZCTBVJCK-VXGBXAGGSA-N 2 0 213.369 1.010 20 0 BDADRP C[NH2+]CCC[N@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000435885528 201294672 /nfs/dbraw/zinc/29/46/72/201294672.db2.gz LCZMRTFURDYORZ-OAHLLOKOSA-N 2 0 248.370 1.578 20 0 BDADRP CCC[N@H+](C)C[C@H]1CCN(CCC[NH2+]C)C1 ZINC000435881818 201294849 /nfs/dbraw/zinc/29/48/49/201294849.db2.gz QJXHPERSMWINQF-CYBMUJFWSA-N 2 0 227.396 1.260 20 0 BDADRP CC[N@@H+]1CC[C@@H](N(C)CCC[NH2+]C)[C@H](C)C1 ZINC000435881903 201295443 /nfs/dbraw/zinc/29/54/43/201295443.db2.gz WNMPXXJPTYCTDH-CHWSQXEVSA-N 2 0 227.396 1.258 20 0 BDADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NCCC[NH3+])C1 ZINC000437795884 201373679 /nfs/dbraw/zinc/37/36/79/201373679.db2.gz HHWPYKFTMNOIPF-ZFWWWQNUSA-N 2 0 247.386 1.760 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[C@H](C)O ZINC000387339113 363839247 /nfs/dbraw/zinc/83/92/47/363839247.db2.gz SZEHUAJAMZBNPR-ZDCRXTMVSA-N 2 0 200.326 1.005 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](CO)C2)[C@H]2CCC[C@@H]21 ZINC000631670579 364203205 /nfs/dbraw/zinc/20/32/05/364203205.db2.gz BSZCCDXLUBVNHK-BJJPWKGXSA-N 2 0 238.375 1.220 20 0 BDADRP C[NH2+][C@@H](C)c1cn(-c2cccc(C[NH3+])c2)nn1 ZINC000630607087 364331903 /nfs/dbraw/zinc/33/19/03/364331903.db2.gz CIXHXFWMDWODFD-VIFPVBQESA-N 2 0 231.303 1.006 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2O)CC1 ZINC000134763582 364412772 /nfs/dbraw/zinc/41/27/72/364412772.db2.gz XPNOJZZLPAJHGH-CHWSQXEVSA-N 2 0 226.364 1.362 20 0 BDADRP C[C@H](O)CC(C)(C)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246513782 364599715 /nfs/dbraw/zinc/59/97/15/364599715.db2.gz UGUWOWOPXXZSDW-AVGNSLFASA-N 2 0 242.407 1.856 20 0 BDADRP CC1(C)OCC[C@@H]1[NH2+]CCCCn1ccnc1 ZINC000328370971 364840423 /nfs/dbraw/zinc/84/04/23/364840423.db2.gz IPIASZHZMCZLOH-LBPRGKRZSA-N 2 0 237.347 1.820 20 0 BDADRP O[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000328376895 364841385 /nfs/dbraw/zinc/84/13/85/364841385.db2.gz UFSYIUORQXFZLU-REWJHTLYSA-N 2 0 238.375 1.221 20 0 BDADRP C[NH2+]C[C@@H](C)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000573476121 364843349 /nfs/dbraw/zinc/84/33/49/364843349.db2.gz NGORFWIFHHSFLW-GHMZBOCLSA-N 2 0 249.358 1.178 20 0 BDADRP CSC[C@@H](O)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000573676167 364889634 /nfs/dbraw/zinc/88/96/34/364889634.db2.gz ADWHJLUYOMAHMO-MCIGGMRASA-N 2 0 246.420 1.173 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@H](CO)CC2)C1 ZINC000573624032 364878120 /nfs/dbraw/zinc/87/81/20/364878120.db2.gz HUNOTZJMADKSIZ-LPWJVIDDSA-N 2 0 226.364 1.397 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@](C)(CC)C1 ZINC000573574285 364865823 /nfs/dbraw/zinc/86/58/23/364865823.db2.gz QXCKUYGKNICCPR-KBPBESRZSA-N 2 0 242.407 1.811 20 0 BDADRP [NH3+]CCCC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000357358855 181371829 /nfs/dbraw/zinc/37/18/29/181371829.db2.gz BFCPTPIAASOTRQ-UHFFFAOYSA-N 2 0 241.379 1.093 20 0 BDADRP [NH3+]CCC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000042427854 181371858 /nfs/dbraw/zinc/37/18/58/181371858.db2.gz ZNXIGAQTYLTSNP-LBPRGKRZSA-N 2 0 212.337 1.084 20 0 BDADRP [NH3+]C1(c2noc([C@H]3C[C@]34CC[NH2+]C4)n2)CCCC1 ZINC000573681881 364891317 /nfs/dbraw/zinc/89/13/17/364891317.db2.gz AKQPXXOXIJJBLQ-SKDRFNHKSA-N 2 0 248.330 1.265 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C(=O)N[C@H](C)CC[NH3+])cc1 ZINC000573682676 364892064 /nfs/dbraw/zinc/89/20/64/364892064.db2.gz QLDXDEKKXOGSEZ-NXEZZACHSA-N 2 0 235.331 1.173 20 0 BDADRP [NH3+]CCCCCCC[NH+]1CCOCC1 ZINC000020071492 181375496 /nfs/dbraw/zinc/37/54/96/181375496.db2.gz AJAGXFYYOODNRY-UHFFFAOYSA-N 2 0 200.326 1.228 20 0 BDADRP [NH3+]CCCC[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000037715539 181377721 /nfs/dbraw/zinc/37/77/21/181377721.db2.gz PZHMYVUTZUUJOL-UHFFFAOYSA-N 2 0 244.342 1.701 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C[C@H](C)O1 ZINC000574010072 364964738 /nfs/dbraw/zinc/96/47/38/364964738.db2.gz JBNHFINFLAHDBS-RFQIPJPRSA-N 2 0 240.391 1.874 20 0 BDADRP CCN(C)C[C@H](O)C[N@@H+]1CCCCC(C)(C)C1 ZINC000574529365 365083442 /nfs/dbraw/zinc/08/34/42/365083442.db2.gz CITFKJNXVQLZHU-ZDUSSCGKSA-N 2 0 242.407 1.811 20 0 BDADRP COC[C@@H](C)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000574749562 365132181 /nfs/dbraw/zinc/13/21/81/365132181.db2.gz KDBCVCJXZUUCLC-STQMWFEESA-N 2 0 240.391 1.733 20 0 BDADRP CC[NH2+]Cc1ccccc1NC(=O)[C@H]1CC[NH2+]1 ZINC000574749609 365133687 /nfs/dbraw/zinc/13/36/87/365133687.db2.gz NZZPLPUTOJYBBB-GFCCVEGCSA-N 2 0 233.315 1.097 20 0 BDADRP [NH3+]CC[C@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000443064593 193011930 /nfs/dbraw/zinc/01/19/30/193011930.db2.gz YKAKGQXQHHUCOG-CQSZACIVSA-N 3 0 239.407 1.437 20 0 BDADRP CC[NH2+]Cc1ccccc1NC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000191987293 365219918 /nfs/dbraw/zinc/21/99/18/365219918.db2.gz HGBDALOKLQFSFZ-GHMZBOCLSA-N 2 0 249.358 1.718 20 0 BDADRP C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ccnc(N(C)C)n1 ZINC000443502034 193021744 /nfs/dbraw/zinc/02/17/44/193021744.db2.gz QNQUOYZULFPZCW-QWRGUYRKSA-N 2 0 249.362 1.071 20 0 BDADRP CC(C)OC1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000575123408 365207268 /nfs/dbraw/zinc/20/72/68/365207268.db2.gz GTRDQFJUWRJVKX-ZDUSSCGKSA-N 2 0 240.391 1.875 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000575935449 365422064 /nfs/dbraw/zinc/42/20/64/365422064.db2.gz UBRZNAFSSVLFIU-KBPBESRZSA-N 3 0 233.359 1.505 20 0 BDADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CC[NH2+]C1 ZINC000576053685 365467114 /nfs/dbraw/zinc/46/71/14/365467114.db2.gz YSQLWJCGNZOSCU-AVGNSLFASA-N 2 0 225.380 1.249 20 0 BDADRP Cc1nn(C)c(C)c1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000580834545 367179240 /nfs/dbraw/zinc/17/92/40/367179240.db2.gz TWBQOAZOFNOVIU-DTWKUNHWSA-N 2 0 224.352 1.252 20 0 BDADRP [NH3+][C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000580844560 367187341 /nfs/dbraw/zinc/18/73/41/367187341.db2.gz RSOWQBTXNMBCQR-HZSPNIEDSA-N 2 0 233.359 1.546 20 0 BDADRP CC[C@@H](C)C[N@H+](CC)C[C@@H](O)CN(C)CC ZINC000380970778 367326994 /nfs/dbraw/zinc/32/69/94/367326994.db2.gz ALJTXPYELCAPPA-OLZOCXBDSA-N 2 0 230.396 1.667 20 0 BDADRP C[NH2+]C1CC[NH+](C[C@@H]2CCCC[C@H]2O)CC1 ZINC000382077346 367484042 /nfs/dbraw/zinc/48/40/42/367484042.db2.gz UUUVECATBBWQJY-WCQYABFASA-N 2 0 226.364 1.221 20 0 BDADRP CCO[C@H](CC[NH+](C)C)C[NH2+]CC1(C)CC1 ZINC000381706574 367448624 /nfs/dbraw/zinc/44/86/24/367448624.db2.gz JJVVEAZNPBVIOA-GFCCVEGCSA-N 2 0 228.380 1.733 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1NCC1([NH+](C)C)CCC1 ZINC000382842647 367563431 /nfs/dbraw/zinc/56/34/31/367563431.db2.gz WUNCLMALACLXMJ-CHWSQXEVSA-N 2 0 239.407 1.401 20 0 BDADRP Cc1ncccc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000383879738 367657440 /nfs/dbraw/zinc/65/74/40/367657440.db2.gz CMMYNTMJMIRSCT-UHFFFAOYSA-N 2 0 233.359 1.951 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)[C@H](C)O1 ZINC000384561652 367700827 /nfs/dbraw/zinc/70/08/27/367700827.db2.gz HVPSZACPIQWXFY-NTZNESFSSA-N 2 0 226.364 1.484 20 0 BDADRP CC[C@H]1[C@H](C)CC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000384018453 367667798 /nfs/dbraw/zinc/66/77/98/367667798.db2.gz QIVWNQJMKYXPMH-OLZOCXBDSA-N 2 0 225.380 1.012 20 0 BDADRP CC[C@H]1[C@@H](C)CC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000384018457 367668524 /nfs/dbraw/zinc/66/85/24/367668524.db2.gz QIVWNQJMKYXPMH-STQMWFEESA-N 2 0 225.380 1.012 20 0 BDADRP CC[C@@H]1[C@@H](C)CC[N@@H+]1C[C@H](O)CN(C)CC ZINC000384040964 367669169 /nfs/dbraw/zinc/66/91/69/367669169.db2.gz UPKZBWHLPOTIBU-YNEHKIRRSA-N 2 0 228.380 1.419 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@H](C)CCCO)CC1 ZINC000384296048 367682961 /nfs/dbraw/zinc/68/29/61/367682961.db2.gz AGVPJFXXTZNMMW-CYBMUJFWSA-N 2 0 242.407 1.859 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](C)CCCO ZINC000384385700 367687904 /nfs/dbraw/zinc/68/79/04/367687904.db2.gz MEIYNOMNBLMGAY-NWDGAFQWSA-N 2 0 216.369 1.502 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2C[NH3+])[C@@H](C)O1 ZINC000384714287 367719041 /nfs/dbraw/zinc/71/90/41/367719041.db2.gz GZPXOLGZGSELHY-OOCWMUITSA-N 2 0 212.337 1.269 20 0 BDADRP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000384877070 367749342 /nfs/dbraw/zinc/74/93/42/367749342.db2.gz PUOQRUZWLOASBQ-OUAUKWLOSA-N 2 0 214.353 1.395 20 0 BDADRP C[C@H](CC(C)(C)O)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000384949154 367762553 /nfs/dbraw/zinc/76/25/53/367762553.db2.gz FYFISAPBJZFJRM-UTUOFQBUSA-N 2 0 228.380 1.643 20 0 BDADRP Cc1cnccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000385033255 367775639 /nfs/dbraw/zinc/77/56/39/367775639.db2.gz LJNKGCDGJFEOFD-OKILXGFUSA-N 2 0 245.370 1.821 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCO[C@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000386136535 367917176 /nfs/dbraw/zinc/91/71/76/367917176.db2.gz PSJWPCNQLTZBIR-FDYHWXHSSA-N 2 0 226.364 1.674 20 0 BDADRP C[C@@H]([NH2+]CCCn1cccn1)[C@H]1CCCC[NH2+]1 ZINC000385942428 367888890 /nfs/dbraw/zinc/88/88/90/367888890.db2.gz BGEZNSVVPRXXIM-CHWSQXEVSA-N 2 0 236.363 1.393 20 0 BDADRP C[C@@H]([NH2+]CC1(CCO)CC1)[C@@H]1CCCC[NH2+]1 ZINC000385974069 367891920 /nfs/dbraw/zinc/89/19/20/367891920.db2.gz BUYWCTFLQQYIDD-NEPJUHHUSA-N 2 0 226.364 1.269 20 0 BDADRP C[C@H](NC[C@@H]1CCC[N@H+](C)C1)[C@H]1CCCC[NH2+]1 ZINC000385983826 367893281 /nfs/dbraw/zinc/89/32/81/367893281.db2.gz IFGYKDRFNMDHLQ-MELADBBJSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H]([NH2+]CC1(CO)CCCC1)[C@@H]1CCCC[NH2+]1 ZINC000386020746 367899327 /nfs/dbraw/zinc/89/93/27/367899327.db2.gz OOYPNPBALUSPCC-STQMWFEESA-N 2 0 240.391 1.659 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@H]2CC[C@@H](C)O2)C1 ZINC000252775085 368061917 /nfs/dbraw/zinc/06/19/17/368061917.db2.gz JYTSSSUCOZXTHI-NOOOWODRSA-N 2 0 212.337 1.223 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H](CC)[C@@H](C)O)CC1 ZINC000386772064 368021030 /nfs/dbraw/zinc/02/10/30/368021030.db2.gz KNVVSEQLQVZCHE-YPMHNXCESA-N 2 0 228.380 1.610 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H](CC)[C@H](C)O)CC1 ZINC000386772060 368021157 /nfs/dbraw/zinc/02/11/57/368021157.db2.gz KNVVSEQLQVZCHE-AAEUAGOBSA-N 2 0 228.380 1.610 20 0 BDADRP C[NH2+]Cc1ccccc1NC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000581997742 368100006 /nfs/dbraw/zinc/10/00/06/368100006.db2.gz WRNFNWFDTXGYGX-VHSXEESVSA-N 2 0 235.331 1.328 20 0 BDADRP CCN(C)C[C@H](O)C[N@H+](C)C[C@H](C)C(C)(C)C ZINC000399537147 368175386 /nfs/dbraw/zinc/17/53/86/368175386.db2.gz XCYXGIUMRDSOJM-STQMWFEESA-N 2 0 244.423 1.913 20 0 BDADRP C[C@@H](O)[C@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000567161375 326126044 /nfs/dbraw/zinc/12/60/44/326126044.db2.gz XFCZOGKSEBVODO-WDEREUQCSA-N 2 0 226.364 1.220 20 0 BDADRP CCN(C)C[C@H](O)C[N@H+](C[C@H](C)OC)C(C)C ZINC000567246705 326149572 /nfs/dbraw/zinc/14/95/72/326149572.db2.gz SDTKSAMDVXLIGV-STQMWFEESA-N 2 0 246.395 1.044 20 0 BDADRP CC[NH+]1CCC(C[NH2+]Cc2ccn(C)n2)CC1 ZINC000112837620 368876190 /nfs/dbraw/zinc/87/61/90/368876190.db2.gz NNFDXRAWOFJYEZ-UHFFFAOYSA-N 2 0 236.363 1.242 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCCOCC2CC2)C1 ZINC000086402439 368880140 /nfs/dbraw/zinc/88/01/40/368880140.db2.gz SYKHXYBZILOQOR-OLZOCXBDSA-N 2 0 226.364 1.663 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089150430 368936860 /nfs/dbraw/zinc/93/68/60/368936860.db2.gz XVXLBZXTWOOEHD-KBPBESRZSA-N 3 0 239.407 1.435 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)CCO1 ZINC000623657230 368998066 /nfs/dbraw/zinc/99/80/66/368998066.db2.gz LSWQXAYDKFHDEC-MGPQQGTHSA-N 2 0 240.391 1.875 20 0 BDADRP Cn1ccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c1 ZINC000623657097 368998200 /nfs/dbraw/zinc/99/82/00/368998200.db2.gz JTKXDWJMUNYIJL-CYBMUJFWSA-N 2 0 235.375 1.847 20 0 BDADRP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](C[C@H]1CCCCO1)C2 ZINC000631830679 369009036 /nfs/dbraw/zinc/00/90/36/369009036.db2.gz YWSDOPVFFKJBHP-MCIONIFRSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@H]1CCCC[NH+](C)C1 ZINC000623655868 368991252 /nfs/dbraw/zinc/99/12/52/368991252.db2.gz HUQJDWARACYUHJ-MCIONIFRSA-N 2 0 239.407 1.258 20 0 BDADRP Cc1ccncc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631836837 369084872 /nfs/dbraw/zinc/08/48/72/369084872.db2.gz HQZXUEVWTXVJOM-VXGBXAGGSA-N 2 0 219.332 1.417 20 0 BDADRP [NH3+]CCC[NH+]1CCC(Cc2nccs2)CC1 ZINC000631837268 369090612 /nfs/dbraw/zinc/09/06/12/369090612.db2.gz QJSDNYZGURYKGE-UHFFFAOYSA-N 2 0 239.388 1.746 20 0 BDADRP CC[NH2+]CCCN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000567375239 326178041 /nfs/dbraw/zinc/17/80/41/326178041.db2.gz DXFVVZOCKKUBJB-RYUDHWBXSA-N 2 0 213.369 1.106 20 0 BDADRP C[C@@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000567646072 326238075 /nfs/dbraw/zinc/23/80/75/326238075.db2.gz SAYXFQZCFAKYDU-UZWSLXQKSA-N 2 0 226.364 1.673 20 0 BDADRP CCN(CCO)CC[NH2+]C1CC2(CCC2)C1 ZINC000459531866 203296494 /nfs/dbraw/zinc/29/64/94/203296494.db2.gz MWPCXUCTUCAAJL-UHFFFAOYSA-N 2 0 226.364 1.223 20 0 BDADRP Cc1cccc(OCC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000107572813 369353732 /nfs/dbraw/zinc/35/37/32/369353732.db2.gz IHKDXQISHCYOOC-KBPBESRZSA-N 2 0 246.354 1.525 20 0 BDADRP Cc1ccc(C)c(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000107573146 369354096 /nfs/dbraw/zinc/35/40/96/369354096.db2.gz MYFXHJSYJWJEJK-GJZGRUSLSA-N 2 0 230.355 1.955 20 0 BDADRP C[N@@H+]1CCC[C@@H](CC[NH2+]CC[C@H]2CCOC2)C1 ZINC000459724297 203343332 /nfs/dbraw/zinc/34/33/32/203343332.db2.gz ALLLOZSGJHVWKI-KBPBESRZSA-N 2 0 240.391 1.735 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCOC2)C1 ZINC000459729272 203345818 /nfs/dbraw/zinc/34/58/18/203345818.db2.gz IWQPXXKRRPNWGL-NEPJUHHUSA-N 2 0 212.337 1.097 20 0 BDADRP CC[C@@H]1OCC[C@H]1[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000459770670 203362066 /nfs/dbraw/zinc/36/20/66/203362066.db2.gz HSYOTESDMTXUPN-XQQFMLRXSA-N 2 0 226.364 1.628 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000568180938 326321438 /nfs/dbraw/zinc/32/14/38/326321438.db2.gz GRFRIMGAOIQHOG-VOAKCMCISA-N 2 0 226.364 1.077 20 0 BDADRP CCOCC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000309620328 370236032 /nfs/dbraw/zinc/23/60/32/370236032.db2.gz GZABRTAJYZCJKK-LBPRGKRZSA-N 2 0 212.337 1.098 20 0 BDADRP CCn1cc(CC[NH2+][C@@H](CN)C(C)(C)C)cn1 ZINC000621776414 370518239 /nfs/dbraw/zinc/51/82/39/370518239.db2.gz KRBFVUOEMRHVRN-LBPRGKRZSA-N 2 0 238.379 1.409 20 0 BDADRP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccn1 ZINC000621774946 370521090 /nfs/dbraw/zinc/52/10/90/370521090.db2.gz BAISFNJJKZPYQI-RRFJBIMHSA-N 2 0 245.370 1.949 20 0 BDADRP CCn1nccc1CC[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000621774929 370521134 /nfs/dbraw/zinc/52/11/34/370521134.db2.gz AKXITLUIAXCIIR-VXGBXAGGSA-N 2 0 236.363 1.115 20 0 BDADRP CCn1nccc1CC[NH2+][C@](C)(CN)C(C)C ZINC000621775166 370521636 /nfs/dbraw/zinc/52/16/36/370521636.db2.gz HWYVVWCAVTUHPE-CYBMUJFWSA-N 2 0 238.379 1.409 20 0 BDADRP CCn1cc(CC[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cn1 ZINC000621775221 370522800 /nfs/dbraw/zinc/52/28/00/370522800.db2.gz IVMVTYVVQCDKJE-DGCLKSJQSA-N 2 0 236.363 1.115 20 0 BDADRP CCn1cc(CC[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)cn1 ZINC000621776291 370524737 /nfs/dbraw/zinc/52/47/37/370524737.db2.gz IBGSZWHVSOGUHL-YPMHNXCESA-N 2 0 236.363 1.257 20 0 BDADRP Cc1cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)ccn1 ZINC000621776589 370525882 /nfs/dbraw/zinc/52/58/82/370525882.db2.gz PQFDCLPQCZJVGG-SMDDNHRTSA-N 2 0 233.359 1.807 20 0 BDADRP [NH3+][C@@]12CCC[C@H]1CN(Cc1ccccn1)C2 ZINC000621781666 370531060 /nfs/dbraw/zinc/53/10/60/370531060.db2.gz HPBUCGGWOUIDEE-WCQYABFASA-N 2 0 217.316 1.395 20 0 BDADRP CO[C@H](C[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1)C1CCC1 ZINC000621783444 370534297 /nfs/dbraw/zinc/53/42/97/370534297.db2.gz BLEFTWCKCUWDOQ-MJBXVCDLSA-N 2 0 238.375 1.615 20 0 BDADRP [NH3+][C@@]12CCC[C@H]1C[N@H+](CCC1CCC1)C2 ZINC000621783439 370534317 /nfs/dbraw/zinc/53/43/17/370534317.db2.gz BLBYCVNFZMQEIT-QWHCGFSZSA-N 2 0 208.349 1.990 20 0 BDADRP CC[C@@H](C[NH2+]Cc1ccc(=O)[nH]c1)N1CCCC1 ZINC000631040041 370997925 /nfs/dbraw/zinc/99/79/25/370997925.db2.gz OBFJVEOIUYNIKC-ZDUSSCGKSA-N 2 0 249.358 1.751 20 0 BDADRP CC[C@H]1CCC[C@@H]([NH2+]CCN2CC[C@H](O)C2)C1 ZINC000623836818 371119215 /nfs/dbraw/zinc/11/92/15/371119215.db2.gz KTDUXTCPADZVIA-MJBXVCDLSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@H](C[NH2+][C@H](C)[C@@H]1CCCCO1)C[NH+](C)C ZINC000623988048 371220827 /nfs/dbraw/zinc/22/08/27/371220827.db2.gz XQSUCWFQJIASAI-UPJWGTAASA-N 2 0 228.380 1.731 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H]2C[C@H](OC)C2)CC1 ZINC000624297370 371463278 /nfs/dbraw/zinc/46/32/78/371463278.db2.gz YCYPIGKJQXJXDB-JOCQHMNTSA-N 2 0 226.364 1.628 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000230463871 371914716 /nfs/dbraw/zinc/91/47/16/371914716.db2.gz JAJJHFKDIIARNX-RKQHYHRCSA-N 2 0 238.375 1.242 20 0 BDADRP Cc1nccc(N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)n1 ZINC000631328133 372296541 /nfs/dbraw/zinc/29/65/41/372296541.db2.gz WJWRDJSTNFAAJY-NEPJUHHUSA-N 2 0 232.331 1.173 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000631823365 372600798 /nfs/dbraw/zinc/60/07/98/372600798.db2.gz CKJNWRULJVDYQC-VJTDZRGJSA-N 2 0 238.375 1.471 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000631827982 372609382 /nfs/dbraw/zinc/60/93/82/372609382.db2.gz BHTGVOBNCRJMJN-QMVSFRDZSA-N 2 0 240.391 1.717 20 0 BDADRP C[C@H]([NH3+])CN1CCC(C)([NH+]2CCCC2)CC1 ZINC000631836765 372625523 /nfs/dbraw/zinc/62/55/23/372625523.db2.gz GLGHQBJOMLQFIT-LBPRGKRZSA-N 2 0 225.380 1.284 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CCC(F)(F)C2)C[C@H]1C[NH3+] ZINC000631837791 372628589 /nfs/dbraw/zinc/62/85/89/372628589.db2.gz WYEZSTRLFDTPHY-OUAUKWLOSA-N 2 0 232.318 1.948 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCC(F)(F)C2)C[C@H]1C[NH3+] ZINC000631837788 372628717 /nfs/dbraw/zinc/62/87/17/372628717.db2.gz WYEZSTRLFDTPHY-GMTAPVOTSA-N 2 0 232.318 1.948 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccncc2)C[C@H]1C[NH3+] ZINC000631838708 372632178 /nfs/dbraw/zinc/63/21/78/372632178.db2.gz TXUDBDPKQUAAEV-CMPLNLGQSA-N 2 0 205.305 1.108 20 0 BDADRP Cc1noc(C)c1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631842642 372640388 /nfs/dbraw/zinc/64/03/88/372640388.db2.gz CZNASGPBJWVEIJ-GZMMTYOYSA-N 2 0 223.320 1.318 20 0 BDADRP COc1ccc(CC[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000631842783 372641511 /nfs/dbraw/zinc/64/15/11/372641511.db2.gz FSDDHOORHKTCAZ-GXTWGEPZSA-N 2 0 248.370 1.764 20 0 BDADRP CC1(C)CC[C@H]([NH2+]CCCN2CC[NH2+]CC2)C1 ZINC000414774513 205770583 /nfs/dbraw/zinc/77/05/83/205770583.db2.gz BLDITCTZMYLTRW-ZDUSSCGKSA-N 2 0 239.407 1.450 20 0 BDADRP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])CCO1 ZINC000424379564 206039548 /nfs/dbraw/zinc/03/95/48/206039548.db2.gz VQJFCBHBIZSYDV-NNYUYHANSA-N 2 0 212.337 1.413 20 0 BDADRP COCC(C)(C)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000430130226 206061588 /nfs/dbraw/zinc/06/15/88/206061588.db2.gz WDDBXEBOLZXFKB-AWEZNQCLSA-N 2 0 240.391 1.687 20 0 BDADRP CC[C@@H]1C[N@H+](CCc2cncn2C)CCCO1 ZINC000459426274 206126315 /nfs/dbraw/zinc/12/63/15/206126315.db2.gz DGVJWVQLNQVKTP-CYBMUJFWSA-N 2 0 237.347 1.464 20 0 BDADRP CC[C@H]([NH3+])C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000166741106 206142298 /nfs/dbraw/zinc/14/22/98/206142298.db2.gz RDQLCMQNZNHFCR-ZDUSSCGKSA-N 2 0 249.358 1.467 20 0 BDADRP C[C@H](CC[NH3+])[NH2+]Cc1ccc(F)c(F)c1 ZINC000220537499 134309560 /nfs/dbraw/zinc/30/95/60/134309560.db2.gz GHWOQHLNUQVTTJ-MRVPVSSYSA-N 2 0 214.259 1.792 20 0 BDADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C1([NH3+])CCCC1 ZINC000178412115 134310138 /nfs/dbraw/zinc/31/01/38/134310138.db2.gz BUPISUXZQQJJTB-LLVKDONJSA-N 2 0 241.379 1.090 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000236856266 168963332 /nfs/dbraw/zinc/96/33/32/168963332.db2.gz KIAKXBUTGAOGOX-AAEUAGOBSA-N 2 0 241.379 1.152 20 0 BDADRP OCC[N@H+](CC1CC[NH2+]CC1)C1CCCCC1 ZINC000132298998 183066405 /nfs/dbraw/zinc/06/64/05/183066405.db2.gz RUSNOEBOGSGLDV-UHFFFAOYSA-N 2 0 240.391 1.613 20 0 BDADRP OCC[N@H+](C[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000132298775 183067804 /nfs/dbraw/zinc/06/78/04/183067804.db2.gz REWYRPBOHJOMDU-ZDUSSCGKSA-N 2 0 240.391 1.613 20 0 BDADRP CCCC[C@H](COC)[NH2+]C[C@H](C)C[NH+](C)C ZINC000336676659 169005122 /nfs/dbraw/zinc/00/51/22/169005122.db2.gz BVTGXGPTCVMQMJ-QWHCGFSZSA-N 2 0 230.396 1.979 20 0 BDADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)[C@@H](C)OC ZINC000361924933 170503743 /nfs/dbraw/zinc/50/37/43/170503743.db2.gz NQFCBJPZSRAYHZ-YNEHKIRRSA-N 2 0 246.395 1.356 20 0 BDADRP CCC[N@H+](C)CC(=O)NCCC[NH+](CC)CC ZINC000355477126 169069570 /nfs/dbraw/zinc/06/95/70/169069570.db2.gz YCIYRIJVMHUUGM-UHFFFAOYSA-N 2 0 243.395 1.176 20 0 BDADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCCCO)C1 ZINC000304548362 169078207 /nfs/dbraw/zinc/07/82/07/169078207.db2.gz BUUMIHPZQYMYPI-CYBMUJFWSA-N 2 0 228.380 1.423 20 0 BDADRP CCC[N@H+](CC)CCNC(=O)[C@H](CC)[NH+](C)C ZINC000120892437 169121233 /nfs/dbraw/zinc/12/12/33/169121233.db2.gz GFSDHEMPCHSARK-LBPRGKRZSA-N 2 0 243.395 1.175 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)N[C@@H]1C[NH+](C)C[C@@H]1C ZINC000353073199 169127797 /nfs/dbraw/zinc/12/77/97/169127797.db2.gz ORMHYOQULKTYON-MELADBBJSA-N 2 0 241.423 1.647 20 0 BDADRP CCC[NH+]1CCC([N@H+](C)C[C@H]2CCOC2)CC1 ZINC000336694309 169186657 /nfs/dbraw/zinc/18/66/57/169186657.db2.gz IZXCYIYCCKMNBF-CYBMUJFWSA-N 2 0 240.391 1.829 20 0 BDADRP CCC[NH+]1CCC([N@H+](C)CC[C@H](C)O)CC1 ZINC000336684821 169187107 /nfs/dbraw/zinc/18/71/07/169187107.db2.gz VDIZAVFIENUNBF-LBPRGKRZSA-N 2 0 228.380 1.564 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H](CC)C(C)(C)O)CC1 ZINC000340503645 169189655 /nfs/dbraw/zinc/18/96/55/169189655.db2.gz OMBINPLCXFOEGI-ZDUSSCGKSA-N 2 0 242.407 2.000 20 0 BDADRP CCC[NH+]1CCC(N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000093210643 169189683 /nfs/dbraw/zinc/18/96/83/169189683.db2.gz HYNKZMJBJZAVPH-TZMCWYRMSA-N 2 0 239.407 1.720 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H](C)COCC)CC1 ZINC000044688349 169190241 /nfs/dbraw/zinc/19/02/41/169190241.db2.gz BUBKEEBPLMAWAL-LBPRGKRZSA-N 2 0 228.380 1.875 20 0 BDADRP c1cc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccn1 ZINC000250197604 183338705 /nfs/dbraw/zinc/33/87/05/183338705.db2.gz ZBIOELPCFAJBEO-CABCVRRESA-N 2 0 245.370 1.841 20 0 BDADRP c1cc(C[NH2+][C@@H]2CCC[NH2+]CC2)cs1 ZINC000160679533 183352071 /nfs/dbraw/zinc/35/20/71/183352071.db2.gz YYNQECBOMOPFLP-LLVKDONJSA-N 2 0 210.346 1.980 20 0 BDADRP CCCNC(=O)CC[NH2+][C@@H](C)CCCC[NH3+] ZINC000309234783 169217323 /nfs/dbraw/zinc/21/73/23/169217323.db2.gz LJOYVWLGNKLZED-NSHDSACASA-N 2 0 229.368 1.010 20 0 BDADRP CCC[NH2+]CC[NH2+]C[C@@H]1CCSC1 ZINC000161349731 169259263 /nfs/dbraw/zinc/25/92/63/169259263.db2.gz QBEWGBMVRQTICD-JTQLQIEISA-N 2 0 202.367 1.329 20 0 BDADRP CCC[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000037859741 169369655 /nfs/dbraw/zinc/36/96/55/169369655.db2.gz RCTOVUQUSIHELN-VXGBXAGGSA-N 2 0 214.353 1.221 20 0 BDADRP COC1CC([NH2+]C[C@@H](C)C[NH+]2CCCC2)C1 ZINC000220848214 134316087 /nfs/dbraw/zinc/31/60/87/134316087.db2.gz FARXIMWWTHIMRS-PNESKVBLSA-N 2 0 226.364 1.485 20 0 BDADRP CCC[C@@H]([NH3+])C(=O)NCC[NH+](C(C)C)C(C)C ZINC000036872643 169389970 /nfs/dbraw/zinc/38/99/70/169389970.db2.gz XOOMUUQWABAWOQ-GFCCVEGCSA-N 2 0 243.395 1.349 20 0 BDADRP CCC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCCCC1 ZINC000036873143 169389130 /nfs/dbraw/zinc/38/91/30/169389130.db2.gz UEAMELYAYOWFFO-GFCCVEGCSA-N 2 0 241.379 1.106 20 0 BDADRP COC(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000224572171 134348591 /nfs/dbraw/zinc/34/85/91/134348591.db2.gz LWKQILSUPXENCC-QJPTWQEYSA-N 2 0 228.380 1.730 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCSC2)CN1C1CC1 ZINC000226384440 134364668 /nfs/dbraw/zinc/36/46/68/134364668.db2.gz IJEOBYPSIULXLA-WOPDTQHZSA-N 2 0 240.416 1.954 20 0 BDADRP CC[C@H](O)[C@H](CC)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000313090359 383866853 /nfs/dbraw/zinc/86/68/53/383866853.db2.gz ACQLIBKQBBEQLB-XUXIUFHCSA-N 2 0 240.391 1.752 20 0 BDADRP C[C@@H](CN[C@@H](C)c1ccccn1)C[NH+](C)C ZINC000293836818 383868653 /nfs/dbraw/zinc/86/86/53/383868653.db2.gz WTGCVUIYSPJRIH-RYUDHWBXSA-N 2 0 221.348 1.930 20 0 BDADRP CC(C)N(C)C[C@@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000309312754 383870327 /nfs/dbraw/zinc/87/03/27/383870327.db2.gz FMRDEDTUDKXRNO-CHWSQXEVSA-N 2 0 229.412 1.822 20 0 BDADRP CC(C)C[C@H](C)C[N@H+](C)CCOCC[NH3+] ZINC000301047627 383877204 /nfs/dbraw/zinc/87/72/04/383877204.db2.gz PREGJHUKTDYAOU-LBPRGKRZSA-N 2 0 216.369 1.576 20 0 BDADRP C[N@@H+](Cc1ccncc1)CC1CC[NH2+]CC1 ZINC000036776475 383910276 /nfs/dbraw/zinc/91/02/76/383910276.db2.gz OFXBNGOAWZHXBE-UHFFFAOYSA-N 2 0 219.332 1.513 20 0 BDADRP CC[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)[C@@H](O)CC ZINC000313106216 383886458 /nfs/dbraw/zinc/88/64/58/383886458.db2.gz XPMLWVKRLOQLHI-TUAOUCFPSA-N 2 0 214.353 1.268 20 0 BDADRP C[N@H+](CCC1CC[NH2+]CC1)C[C@@H]1CCCOC1 ZINC000111164153 383933455 /nfs/dbraw/zinc/93/34/55/383933455.db2.gz ZQPJQWRGBPNXEP-AWEZNQCLSA-N 2 0 240.391 1.735 20 0 BDADRP C[NH+]1CCC(CC[NH2+][C@H]2CCn3ccnc32)CC1 ZINC000345351995 383945831 /nfs/dbraw/zinc/94/58/31/383945831.db2.gz PJZUEEBQRHIVJO-ZDUSSCGKSA-N 2 0 248.374 1.649 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546757 384018050 /nfs/dbraw/zinc/01/80/50/384018050.db2.gz UNQZLSVPRYLOEF-AGIUHOORSA-N 2 0 237.391 1.201 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCc2ccccc2O)C1 ZINC000518564399 384013929 /nfs/dbraw/zinc/01/39/29/384013929.db2.gz OCHCPCGKGAKXFA-STQMWFEESA-N 2 0 234.343 1.794 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)CO1 ZINC000401800782 384040759 /nfs/dbraw/zinc/04/07/59/384040759.db2.gz TTXPQCBIOMDRNU-GHMZBOCLSA-N 2 0 214.353 1.341 20 0 BDADRP CCOC[C@@H]1CCCC[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000313216726 384055091 /nfs/dbraw/zinc/05/50/91/384055091.db2.gz RSTMMMSNHRYIDJ-KBPBESRZSA-N 2 0 240.391 1.877 20 0 BDADRP CN1CCC([NH2+]C[C@@H]2CC23CCOCC3)CC1 ZINC000336536363 384091408 /nfs/dbraw/zinc/09/14/08/384091408.db2.gz DFNAGQFQTCDULS-LBPRGKRZSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@@H]1N(CC[C@H]2CCC[N@@H+]2C)CCOC1(C)C ZINC000336552016 384114363 /nfs/dbraw/zinc/11/43/63/384114363.db2.gz DHNUPDWSHSBJEI-QWHCGFSZSA-N 2 0 240.391 1.970 20 0 BDADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000229935964 259644446 /nfs/dbraw/zinc/64/44/46/259644446.db2.gz RRGDXJZHSPBHLQ-ZIAGYGMSSA-N 3 0 239.407 1.578 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CCOCC1CCCC1 ZINC000313251194 384153425 /nfs/dbraw/zinc/15/34/25/384153425.db2.gz ITYWKBVJXKNZAD-LBPRGKRZSA-N 2 0 228.380 1.910 20 0 BDADRP C[C@@H](CC1CC1)[NH2+]C[C@@H]1CCCN1CCCO ZINC000449388200 384145612 /nfs/dbraw/zinc/14/56/12/384145612.db2.gz ONKNIAZFHGXORV-JSGCOSHPSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCOc2ccccc2)C1 ZINC000163205842 384165348 /nfs/dbraw/zinc/16/53/48/384165348.db2.gz UWJSIAYIXWCVSO-STQMWFEESA-N 2 0 234.343 1.735 20 0 BDADRP COC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000400960422 533049437 /nfs/dbraw/zinc/04/94/37/533049437.db2.gz INNYHZYVRXJAGD-FUNVUKJBSA-N 2 0 224.348 1.380 20 0 BDADRP CCc1nc(C)cc(N(C)[C@H](C[NH3+])C2CC2)n1 ZINC000302508423 384219042 /nfs/dbraw/zinc/21/90/42/384219042.db2.gz MQYSOFGAOPDQBP-LLVKDONJSA-N 2 0 234.347 1.521 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@@H]2CCOC2)C1 ZINC000082645459 384252838 /nfs/dbraw/zinc/25/28/38/384252838.db2.gz KNYZEJJRHDJDDL-SRVKXCTJSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C1CC[NH+](C)CC1 ZINC000644166653 384256884 /nfs/dbraw/zinc/25/68/84/384256884.db2.gz LABWNFWGHYKIRN-IACUBPJLSA-N 3 0 239.407 1.576 20 0 BDADRP Cc1ccsc1C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313340370 384270050 /nfs/dbraw/zinc/27/00/50/384270050.db2.gz MEKUKHICQOBDBH-LLVKDONJSA-N 2 0 240.372 1.606 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](CC2CCOCC2)C1 ZINC000173903234 384284710 /nfs/dbraw/zinc/28/47/10/384284710.db2.gz GVLWVAGJDOGKSV-CQSZACIVSA-N 2 0 240.391 1.687 20 0 BDADRP Cc1ncsc1CC[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000405445093 384341911 /nfs/dbraw/zinc/34/19/11/384341911.db2.gz FLPXLTOBSMARBR-GHMZBOCLSA-N 2 0 239.388 1.709 20 0 BDADRP Cc1ccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cn1 ZINC000228858870 384345752 /nfs/dbraw/zinc/34/57/52/384345752.db2.gz ZHLRSKLQCTZZLG-JSGCOSHPSA-N 2 0 233.359 1.949 20 0 BDADRP C[C@@H](NCc1ccc(C[NH3+])cc1)[C@H]1CCCC[NH2+]1 ZINC000564989225 384333295 /nfs/dbraw/zinc/33/32/95/384333295.db2.gz URMTXJORWKVYIT-IUODEOHRSA-N 2 0 247.386 1.766 20 0 BDADRP Cc1csc(C[NH2+]CC[C@H]2CC[NH2+]C2)n1 ZINC000084385333 384392274 /nfs/dbraw/zinc/39/22/74/384392274.db2.gz MBYHMMIHECFSRX-SNVBAGLBSA-N 2 0 225.361 1.541 20 0 BDADRP Cc1ccncc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229057164 384416482 /nfs/dbraw/zinc/41/64/82/384416482.db2.gz LAXLFGMSEYMUOV-OLZOCXBDSA-N 2 0 233.359 1.807 20 0 BDADRP Cc1ccncc1C[NH2+][C@@H](C)Cn1ccnc1 ZINC000135450242 384445541 /nfs/dbraw/zinc/44/55/41/384445541.db2.gz DULXDTSGNSXJBW-LBPRGKRZSA-N 2 0 230.315 1.765 20 0 BDADRP COCC[N@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000647513977 384428024 /nfs/dbraw/zinc/42/80/24/384428024.db2.gz ZLYGULLJDAXEEN-ZDUSSCGKSA-N 2 0 240.391 1.877 20 0 BDADRP CN(Cc1ccncc1)[C@@H](C[NH3+])C1CC1 ZINC000036884034 384461784 /nfs/dbraw/zinc/46/17/84/384461784.db2.gz GSIHDHCJHLKCNR-LBPRGKRZSA-N 2 0 205.305 1.251 20 0 BDADRP CC(C)([NH3+])CCC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000648146990 384500389 /nfs/dbraw/zinc/50/03/89/384500389.db2.gz OLQIONBOOUTUMJ-UHFFFAOYSA-N 2 0 247.342 1.746 20 0 BDADRP CC(C)([NH3+])CCC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000648176862 384510170 /nfs/dbraw/zinc/51/01/70/384510170.db2.gz PYOMHCPWROYYCO-LLVKDONJSA-N 2 0 241.379 1.138 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH+]1C)C[C@@H]1CCCOC1 ZINC000161723139 384519205 /nfs/dbraw/zinc/51/92/05/384519205.db2.gz OQRWKVHAZRFHTH-KBPBESRZSA-N 2 0 240.391 1.829 20 0 BDADRP CC[N@H+](CC[C@@H]1CC[NH2+]C1)C[C@H]1CCCO1 ZINC000249834683 384521672 /nfs/dbraw/zinc/52/16/72/384521672.db2.gz QOTPVCHSKADSDY-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP C[NH2+]CCC1CC[NH+](Cc2ccn(C)n2)CC1 ZINC000211756682 384544985 /nfs/dbraw/zinc/54/49/85/384544985.db2.gz FNEXDGSVTPHYIV-UHFFFAOYSA-N 2 0 236.363 1.242 20 0 BDADRP CCC1CC([NH2+]CC2(O)CC[NH+](C)CC2)C1 ZINC000309704400 384549324 /nfs/dbraw/zinc/54/93/24/384549324.db2.gz NVIHAAHTSZIXJB-UHFFFAOYSA-N 2 0 226.364 1.221 20 0 BDADRP COCCCCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428030580 384554147 /nfs/dbraw/zinc/55/41/47/384554147.db2.gz IOEFXVGIPXTFHG-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP COC[C@@H]1CCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000643058137 384561359 /nfs/dbraw/zinc/56/13/59/384561359.db2.gz FVGNVJVGFQPPCC-RYUDHWBXSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CSC2(C)C)CCN1C ZINC000336745204 384562304 /nfs/dbraw/zinc/56/23/04/384562304.db2.gz BBUXSSAPENWRQY-MXWKQRLJSA-N 2 0 228.405 1.953 20 0 BDADRP CC1(C)C[N@H+](CCC[NH3+])C(C)(C)CO1 ZINC000643057886 384562433 /nfs/dbraw/zinc/56/24/33/384562433.db2.gz UZRZXUBNNFDPLT-UHFFFAOYSA-N 2 0 200.326 1.225 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643066559 384579747 /nfs/dbraw/zinc/57/97/47/384579747.db2.gz QDVUUWQSFSNESK-UONOGXRCSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(C(F)F)CC1 ZINC000309750363 384580010 /nfs/dbraw/zinc/58/00/10/384580010.db2.gz GODXGLXDGAZTDP-UWVGGRQHSA-N 2 0 232.318 1.962 20 0 BDADRP Cc1nnsc1CN[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000309785679 384608322 /nfs/dbraw/zinc/60/83/22/384608322.db2.gz SMCKBGYYVPUGIS-WCBMZHEXSA-N 2 0 240.376 1.276 20 0 BDADRP COC[C@H](C)[N@H+]1C[C@H]2[C@@H](C[NH+]3CCCC[C@@H]23)C1 ZINC000363577288 384619696 /nfs/dbraw/zinc/61/96/96/384619696.db2.gz LEJUNQAWCAAGMS-XUXIUFHCSA-N 2 0 238.375 1.437 20 0 BDADRP CCC[C@H](C[NH2+][C@@H](C)CCCC[NH3+])OC ZINC000356341291 384628632 /nfs/dbraw/zinc/62/86/32/384628632.db2.gz UJMUNXMSNFLMBK-NWDGAFQWSA-N 2 0 216.369 1.909 20 0 BDADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)C(C)C)CC1 ZINC000154247817 384596932 /nfs/dbraw/zinc/59/69/32/384596932.db2.gz UGMLXPVQODAJST-CQSZACIVSA-N 2 0 241.423 1.648 20 0 BDADRP CO[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)CC1 ZINC000647538031 384663909 /nfs/dbraw/zinc/66/39/09/384663909.db2.gz CPZFYUYVPSNRSO-ZDUSSCGKSA-N 2 0 226.364 1.487 20 0 BDADRP CC(C)OCCC[NH2+]CC1CC[NH2+]CC1 ZINC000086700362 384672879 /nfs/dbraw/zinc/67/28/79/384672879.db2.gz AEGITRWOGOPGJV-UHFFFAOYSA-N 2 0 214.353 1.391 20 0 BDADRP CC(C)[C@H]1C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CCN1 ZINC000647531658 384634746 /nfs/dbraw/zinc/63/47/46/384634746.db2.gz PBVLFSZABSQFCN-MGPQQGTHSA-N 2 0 239.407 1.304 20 0 BDADRP COCC[C@H]1CCC[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000564822286 384635457 /nfs/dbraw/zinc/63/54/57/384635457.db2.gz KITZHAOGVKDEKY-KGLIPLIRSA-N 2 0 240.391 1.781 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000564822281 384635836 /nfs/dbraw/zinc/63/58/36/384635836.db2.gz KITZHAOGVKDEKY-KBPBESRZSA-N 2 0 240.391 1.781 20 0 BDADRP CC(C)(C)[NH2+]CCN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000647534624 384645826 /nfs/dbraw/zinc/64/58/26/384645826.db2.gz SATGSQAQFUWTEY-NWDGAFQWSA-N 2 0 225.380 1.058 20 0 BDADRP C(CC1CC[NH2+]CC1)C[NH+]1CCOCC1 ZINC000050952256 384653444 /nfs/dbraw/zinc/65/34/44/384653444.db2.gz QDEFYZOKTUSAER-UHFFFAOYSA-N 2 0 212.337 1.098 20 0 BDADRP COC(C)(C)[C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000336656856 384659425 /nfs/dbraw/zinc/65/94/25/384659425.db2.gz ANCOQNSZEHKFJB-GHMZBOCLSA-N 2 0 216.369 1.587 20 0 BDADRP CCOC1CC([NH2+]CC2CC[NH+](CC)CC2)C1 ZINC000124789410 384676996 /nfs/dbraw/zinc/67/69/96/384676996.db2.gz LSOAZCLUXFUIOA-UHFFFAOYSA-N 2 0 240.391 1.875 20 0 BDADRP Nc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH3+])cn1 ZINC000647541379 384684369 /nfs/dbraw/zinc/68/43/69/384684369.db2.gz DGMJGUUZLDDYLL-LBPRGKRZSA-N 2 0 234.347 1.197 20 0 BDADRP CN(C)c1ccncc1C[NH2+]C[C@@H]1CCCOC1 ZINC000185162025 384688314 /nfs/dbraw/zinc/68/83/14/384688314.db2.gz STCJQNVTVCAONT-LBPRGKRZSA-N 2 0 249.358 1.664 20 0 BDADRP C[C@H](C(=O)N[C@@H](C)[C@H](C)[NH3+])[NH+]1CCCCCC1 ZINC000449604760 384695087 /nfs/dbraw/zinc/69/50/87/384695087.db2.gz UPEILVXZBCFEJI-SDDRHHMPSA-N 2 0 241.379 1.103 20 0 BDADRP C[N@@H+]1CC[C@H](NCCC[NH3+])C[C@@H]1c1ccccc1 ZINC000423187681 384719194 /nfs/dbraw/zinc/71/91/94/384719194.db2.gz LFBJXKYSXWWKCT-LSDHHAIUSA-N 3 0 247.386 1.760 20 0 BDADRP CC[N@H+](CCOCC[NH3+])CCc1cccs1 ZINC000357073545 384773787 /nfs/dbraw/zinc/77/37/87/384773787.db2.gz MCLGLQWILQSRCC-UHFFFAOYSA-N 2 0 242.388 1.588 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300413371 384775272 /nfs/dbraw/zinc/77/52/72/384775272.db2.gz BFEBXNJHRLCPOD-MJBXVCDLSA-N 2 0 240.391 1.611 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@@H]1C[NH2+]C[C@H](C)C1 ZINC000647546438 384731104 /nfs/dbraw/zinc/73/11/04/384731104.db2.gz KEONGSRUONHBML-UTUOFQBUSA-N 2 0 213.369 1.092 20 0 BDADRP C[NH+](C)CCC[NH2+][C@H]1CCC12CCOCC2 ZINC000309945005 384732146 /nfs/dbraw/zinc/73/21/46/384732146.db2.gz CZWTVZAFLAYRQC-LBPRGKRZSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@H]1C[NH+](CCSCC[NH+](C)C)C[C@H](C)O1 ZINC000568270678 384732387 /nfs/dbraw/zinc/73/23/87/384732387.db2.gz NLXXCIBKYXZNTA-RYUDHWBXSA-N 2 0 246.420 1.390 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC000647546907 384734783 /nfs/dbraw/zinc/73/47/83/384734783.db2.gz GYGBFICLFKDXOO-VXGBXAGGSA-N 3 0 213.369 1.093 20 0 BDADRP Cc1cnn(C)c1C[NH2+]CCCC[NH+](C)C ZINC000309957734 384740368 /nfs/dbraw/zinc/74/03/68/384740368.db2.gz JIRJSZFYRYNQFJ-UHFFFAOYSA-N 2 0 224.352 1.160 20 0 BDADRP CC[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000309958567 384744041 /nfs/dbraw/zinc/74/40/41/384744041.db2.gz JXQJRZLVWVEMIZ-LPWJVIDDSA-N 2 0 226.364 1.220 20 0 BDADRP Cc1ccc(NC(=O)CCC[NH3+])c(C)n1 ZINC000087152348 384744120 /nfs/dbraw/zinc/74/41/20/384744120.db2.gz LADFCZQXABUFDC-UHFFFAOYSA-N 2 0 207.277 1.376 20 0 BDADRP C[C@]1(CN[C@@H]2CC[NH2+]C3(CCC3)C2)CC[NH2+]C1 ZINC000647548219 384750213 /nfs/dbraw/zinc/75/02/13/384750213.db2.gz ZONFGWLCVXAUNP-OLZOCXBDSA-N 2 0 237.391 1.250 20 0 BDADRP Cc1ccncc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000163388268 384754050 /nfs/dbraw/zinc/75/40/50/384754050.db2.gz LAXLFGMSEYMUOV-QWHCGFSZSA-N 2 0 233.359 1.807 20 0 BDADRP Cc1ccccc1C1([NH2+]CCC[NH3+])CC1 ZINC000647552730 384762765 /nfs/dbraw/zinc/76/27/65/384762765.db2.gz SXTZIYKKABDUEP-UHFFFAOYSA-N 2 0 204.317 1.923 20 0 BDADRP Cc1nc2ccccn2c1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000518185874 384780208 /nfs/dbraw/zinc/78/02/08/384780208.db2.gz URQLVXULYGDVHE-QWRGUYRKSA-N 2 0 246.358 1.858 20 0 BDADRP C[C@H]1CC2(C[N@@H+]1CCC[NH3+])CCOCC2 ZINC000647553103 384764087 /nfs/dbraw/zinc/76/40/87/384764087.db2.gz AZFFCUFVKWZNRK-NSHDSACASA-N 2 0 212.337 1.226 20 0 BDADRP C[C@@H]1CC2(C[N@@H+]1CC(C)(C)[NH3+])CCOCC2 ZINC000647553207 384769138 /nfs/dbraw/zinc/76/91/38/384769138.db2.gz IXLKMDGTGAFVDI-LLVKDONJSA-N 2 0 226.364 1.615 20 0 BDADRP C(N[C@@H]1CC[NH2+]C12CCCC2)[C@H]1CCC[NH2+]C1 ZINC000647554140 384771596 /nfs/dbraw/zinc/77/15/96/384771596.db2.gz RXCITKJGTRKNCE-QWHCGFSZSA-N 2 0 237.391 1.250 20 0 BDADRP COC[C@H](C)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000647554240 384772627 /nfs/dbraw/zinc/77/26/27/384772627.db2.gz UYJOZESSVCDFDY-VXGBXAGGSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H](C[NH3+])N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000398184694 384833001 /nfs/dbraw/zinc/83/30/01/384833001.db2.gz ILEDWMWURYAKEZ-IPYPFGDCSA-N 2 0 247.386 1.586 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)C1 ZINC000581141698 384793941 /nfs/dbraw/zinc/79/39/41/384793941.db2.gz AADXZFJTRMKATR-REWJHTLYSA-N 2 0 240.391 1.645 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccnn1C ZINC000423361950 384836676 /nfs/dbraw/zinc/83/66/76/384836676.db2.gz HFMFGMGRVUXFPR-HBNTYKKESA-N 2 0 222.336 1.341 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1C[C@@H]1CCCOC1 ZINC000126721855 384807469 /nfs/dbraw/zinc/80/74/69/384807469.db2.gz JCVXEOKSMWMAOC-GRYCIOLGSA-N 2 0 212.337 1.082 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCCSC2)C1 ZINC000220666219 384873972 /nfs/dbraw/zinc/87/39/72/384873972.db2.gz PNSFULHJDVNAFF-OUAUKWLOSA-N 2 0 214.378 1.742 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403843339 384877450 /nfs/dbraw/zinc/87/74/50/384877450.db2.gz QAJAGBDUXMGDIK-MQYQWHSLSA-N 2 0 240.391 1.766 20 0 BDADRP COC[C@@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000053172510 384887592 /nfs/dbraw/zinc/88/75/92/384887592.db2.gz GKAPOVSMNJARGW-GFCCVEGCSA-N 2 0 214.353 1.487 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000423398881 384853729 /nfs/dbraw/zinc/85/37/29/384853729.db2.gz PCRXSMZIEMODMQ-XEZLXBQYSA-N 2 0 208.349 1.763 20 0 BDADRP C/C=C/C[C@H](CO)[NH2+][C@@H]1CN(CC)C[C@@H]1C ZINC000309892550 384893116 /nfs/dbraw/zinc/89/31/16/384893116.db2.gz DFKLVFQBPMPDMO-VXFYQTAOSA-N 2 0 226.364 1.243 20 0 BDADRP Cc1ccc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)nc1 ZINC000156598795 384905313 /nfs/dbraw/zinc/90/53/13/384905313.db2.gz CQEHYKVNGBAHPE-GFCCVEGCSA-N 2 0 233.359 1.949 20 0 BDADRP c1cncc([C@H]2CC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)c1 ZINC000568512260 384908192 /nfs/dbraw/zinc/90/81/92/384908192.db2.gz RJMOLRKMHXJEOO-HIFRSBDPSA-N 2 0 245.370 1.871 20 0 BDADRP CC[C@@H](O)C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000644521913 384926097 /nfs/dbraw/zinc/92/60/97/384926097.db2.gz AWRUXZJIHSGQCN-UONOGXRCSA-N 2 0 242.407 1.859 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCc1cc(F)ccc1F ZINC000258804748 384937124 /nfs/dbraw/zinc/93/71/24/384937124.db2.gz CJIZTDGYFKCDLK-CHWSQXEVSA-N 2 0 240.297 1.977 20 0 BDADRP COC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C(C)C ZINC000400942633 533096435 /nfs/dbraw/zinc/09/64/35/533096435.db2.gz DMAFVNUZHBRDKH-SYQHCUMBSA-N 2 0 240.391 1.635 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCc1ccc(F)c(F)c1 ZINC000258751821 384939567 /nfs/dbraw/zinc/93/95/67/384939567.db2.gz ADFNZPNAWBIPRR-QWHCGFSZSA-N 2 0 240.297 1.977 20 0 BDADRP CC(C)CC[C@H](O)C[NH2+][C@@H](C)CC[NH+](C)C ZINC000644562849 384970722 /nfs/dbraw/zinc/97/07/22/384970722.db2.gz CWUVASKADDMOTA-STQMWFEESA-N 2 0 230.396 1.713 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCOC2)[C@@H](C)C1 ZINC000643911625 384987014 /nfs/dbraw/zinc/98/70/14/384987014.db2.gz ZXVVOTLLGNNSHJ-QJPTWQEYSA-N 2 0 212.337 1.095 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@@H]1CCn2ccnc21 ZINC000345343547 384989085 /nfs/dbraw/zinc/98/90/85/384989085.db2.gz HOWQKIGNRHJUDQ-NWDGAFQWSA-N 2 0 236.363 1.648 20 0 BDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H](C)[NH+](C)C ZINC000644589435 384992094 /nfs/dbraw/zinc/99/20/94/384992094.db2.gz FVBRQLAAYHTNMR-RYUDHWBXSA-N 2 0 243.395 1.173 20 0 BDADRP Cc1cc(C[NH2+]CC2CC[NH+](C)CC2)sn1 ZINC000404420582 384992956 /nfs/dbraw/zinc/99/29/56/384992956.db2.gz RTIDEFUNOPNWSJ-UHFFFAOYSA-N 2 0 239.388 1.883 20 0 BDADRP C[C@@H]1C[C@H](C)N(Cc2ccns2)C[C@H]1C[NH3+] ZINC000404472527 385017731 /nfs/dbraw/zinc/01/77/31/385017731.db2.gz SIYWXXOEJHEMNF-OUAUKWLOSA-N 2 0 239.388 1.948 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)c1cccnc1 ZINC000404780828 385064886 /nfs/dbraw/zinc/06/48/86/385064886.db2.gz NBFJPVDEJNGEDI-ZMLRMANQSA-N 2 0 219.332 1.858 20 0 BDADRP C[C@H](N)[C@H]1CCCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000359224922 385072372 /nfs/dbraw/zinc/07/23/72/385072372.db2.gz UDRCTXBJRDTOOB-GXTWGEPZSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@@H](O)C[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000644621040 385028566 /nfs/dbraw/zinc/02/85/66/385028566.db2.gz OBDAPDYKWACTCN-NWDGAFQWSA-N 2 0 214.353 1.221 20 0 BDADRP CC[C@H](O)C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000644633636 385033343 /nfs/dbraw/zinc/03/33/43/385033343.db2.gz OMBQEACXVSHCHE-ZDUSSCGKSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC2(O)CCC2)CN1C1CC1 ZINC000341334625 385108429 /nfs/dbraw/zinc/10/84/29/385108429.db2.gz KPCALXDZSHMNBH-NEPJUHHUSA-N 2 0 238.375 1.506 20 0 BDADRP CC(C)([NH3+])CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647479560 385154813 /nfs/dbraw/zinc/15/48/13/385154813.db2.gz LLVFPWRHRQAMBJ-NWDGAFQWSA-N 2 0 225.380 1.188 20 0 BDADRP CC(C)([NH3+])CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647479559 385155658 /nfs/dbraw/zinc/15/56/58/385155658.db2.gz LLVFPWRHRQAMBJ-NEPJUHHUSA-N 2 0 225.380 1.188 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000305161633 385200722 /nfs/dbraw/zinc/20/07/22/385200722.db2.gz XFGFYVWIPYTKKR-MRVWCRGKSA-N 2 0 242.407 1.713 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccccn1 ZINC000308858059 385218448 /nfs/dbraw/zinc/21/84/48/385218448.db2.gz OPFOHFKJZQKVIL-NSHDSACASA-N 2 0 207.321 1.689 20 0 BDADRP C[C@H](C[NH+](C)C)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130127140 385222642 /nfs/dbraw/zinc/22/26/42/385222642.db2.gz VFEZPABTLHQQFR-FRRDWIJNSA-N 2 0 225.380 1.153 20 0 BDADRP C[C@@H]1CC[N@H+](CC2CCOCC2)C[C@@H]1C[NH3+] ZINC000164648128 385225305 /nfs/dbraw/zinc/22/53/05/385225305.db2.gz BBHURMWWUXPILH-YPMHNXCESA-N 2 0 226.364 1.330 20 0 BDADRP C[C@H]1CC[N@H+](CC2CCOCC2)C[C@@H]1C[NH3+] ZINC000164648239 385225767 /nfs/dbraw/zinc/22/57/67/385225767.db2.gz BBHURMWWUXPILH-AAEUAGOBSA-N 2 0 226.364 1.330 20 0 BDADRP CC(C)[C@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000108324001 385232342 /nfs/dbraw/zinc/23/23/42/385232342.db2.gz CGECBUXDRCIOCS-OLZOCXBDSA-N 2 0 210.365 1.964 20 0 BDADRP CC(C)([NH3+])CC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000647076295 385233786 /nfs/dbraw/zinc/23/37/86/385233786.db2.gz IMQCCEDOIKWPQE-UHFFFAOYSA-N 2 0 233.315 1.356 20 0 BDADRP C[NH2+]C[C@H]1CCCN(Cc2cc(C)n(C)n2)C1 ZINC000647484990 385235121 /nfs/dbraw/zinc/23/51/21/385235121.db2.gz WDNCWKDVGFCNDP-GFCCVEGCSA-N 2 0 236.363 1.160 20 0 BDADRP CN(Cc1ccc(N)nc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000647487278 385251192 /nfs/dbraw/zinc/25/11/92/385251192.db2.gz URCMHLCVBKHMKQ-FUNVUKJBSA-N 2 0 246.358 1.209 20 0 BDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)CCC[NH3+] ZINC000237031742 385253252 /nfs/dbraw/zinc/25/32/52/385253252.db2.gz UMLUECFJZDETAC-LBPRGKRZSA-N 2 0 241.379 1.106 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1COCC1(C)C ZINC000313050580 385271728 /nfs/dbraw/zinc/27/17/28/385271728.db2.gz CTEIIOKGHJOGPN-VHSXEESVSA-N 2 0 200.326 1.128 20 0 BDADRP COC[C@H](CC(C)C)[NH2+]CCC[NH+](C)C ZINC000308918761 385292101 /nfs/dbraw/zinc/29/21/01/385292101.db2.gz GOWIZWLOELRDHZ-LBPRGKRZSA-N 2 0 216.369 1.589 20 0 BDADRP C[NH2+][C@@H](C)Cc1noc(-c2ccc(C[NH3+])cc2)n1 ZINC000647142085 385292466 /nfs/dbraw/zinc/29/24/66/385292466.db2.gz VOVUAEQHSXRAHH-VIFPVBQESA-N 2 0 246.314 1.346 20 0 BDADRP C[C@H](C[NH2+][C@H](C)[C@@H]1CCOC1)C[NH+](C)C ZINC000308925288 385296501 /nfs/dbraw/zinc/29/65/01/385296501.db2.gz PYIILOZQSVLNAV-IJLUTSLNSA-N 2 0 214.353 1.199 20 0 BDADRP Cc1nccn1CC[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000308995553 385337516 /nfs/dbraw/zinc/33/75/16/385337516.db2.gz PKKIRYLIWSNUPT-JBLDHEPKSA-N 2 0 207.321 1.826 20 0 BDADRP C[C@H]1COCC[C@@H]1[NH2+]CCN(C)C1CCCC1 ZINC000192546461 385360078 /nfs/dbraw/zinc/36/00/78/385360078.db2.gz ZYOKHKAIRKWDKW-JSGCOSHPSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1cccc(O)c1 ZINC000309004608 385364162 /nfs/dbraw/zinc/36/41/62/385364162.db2.gz TVBVJBRYFYLFDJ-ZJUUUORDSA-N 2 0 208.305 1.638 20 0 BDADRP C[NH+]1CCC[C@H]1CCN1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000644736173 385364772 /nfs/dbraw/zinc/36/47/72/385364772.db2.gz HQXNIVBQIYDOBU-MELADBBJSA-N 2 0 237.391 1.107 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCOC(F)(F)F)CC[N@@H+]1C ZINC000158225908 385370752 /nfs/dbraw/zinc/37/07/52/385370752.db2.gz YZMAXNISVMVEHE-DTWKUNHWSA-N 2 0 240.269 1.595 20 0 BDADRP CCC[C@@](C)(O)C[NH2+][C@H](C)CCCC[NH3+] ZINC000309015377 385371346 /nfs/dbraw/zinc/37/13/46/385371346.db2.gz QUEHMJZUNPMINX-VXGBXAGGSA-N 2 0 216.369 1.645 20 0 BDADRP CC[C@@H](CCO)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000309019332 385373389 /nfs/dbraw/zinc/37/33/89/385373389.db2.gz SUGFSHNBUYWSQA-RYUDHWBXSA-N 2 0 216.369 1.502 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)C1(C)CC1 ZINC000155079614 385375375 /nfs/dbraw/zinc/37/53/75/385375375.db2.gz CZCSJFGNJBMLFN-QWHCGFSZSA-N 2 0 239.407 1.401 20 0 BDADRP COC1(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CCC1 ZINC000180194307 385385603 /nfs/dbraw/zinc/38/56/03/385385603.db2.gz DENKZZUOTMJVRW-NEPJUHHUSA-N 2 0 226.364 1.628 20 0 BDADRP C[N@@H+]1C[C@@H]2CCN(CC[NH+]3CCCCC3)[C@@H]2C1 ZINC000644736610 385386863 /nfs/dbraw/zinc/38/68/63/385386863.db2.gz OHVOVXHMZAVVEM-UONOGXRCSA-N 2 0 237.391 1.108 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CCC[NH+]1CCCC1 ZINC000308972972 385326948 /nfs/dbraw/zinc/32/69/48/385326948.db2.gz AXMUBTPBZGYXQV-GFCCVEGCSA-N 3 0 213.369 1.189 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000309056745 385394711 /nfs/dbraw/zinc/39/47/11/385394711.db2.gz SZAYZEKUDWZWLH-GRYCIOLGSA-N 2 0 214.353 1.484 20 0 BDADRP C[C@@H]1[C@@H]([NH2+]C[C@@H]2CCSC2)CCCN1C ZINC000309096049 385407370 /nfs/dbraw/zinc/40/73/70/385407370.db2.gz CUZXHMNRCUQJML-WOPDTQHZSA-N 2 0 228.405 1.812 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC[C@@H]1[NH3+] ZINC000647497724 385408255 /nfs/dbraw/zinc/40/82/55/385408255.db2.gz SNSADKUQHBWWJJ-DGAVXFQQSA-N 3 0 239.407 1.434 20 0 BDADRP CC[C@H]1CN(CC[NH2+]C(C)(C)C)CC[C@H]1[NH3+] ZINC000647497835 385408372 /nfs/dbraw/zinc/40/83/72/385408372.db2.gz WYYNXAKOLKMDLY-NWDGAFQWSA-N 2 0 227.396 1.434 20 0 BDADRP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(CO)cc2)C1 ZINC000156176994 385440294 /nfs/dbraw/zinc/44/02/94/385440294.db2.gz AAPWCFGKKRMBMA-OAHLLOKOSA-N 2 0 248.370 1.562 20 0 BDADRP Cc1cc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)on1 ZINC000082475052 385551942 /nfs/dbraw/zinc/55/19/42/385551942.db2.gz ZPEYXGNAXDTMGY-SNVBAGLBSA-N 2 0 223.320 1.542 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)[C@H]1C ZINC000309358996 385552268 /nfs/dbraw/zinc/55/22/68/385552268.db2.gz AEDLDXPHMFLCEJ-XQHKEYJVSA-N 2 0 226.364 1.077 20 0 BDADRP CC(C)CCOCC[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000309383793 385556426 /nfs/dbraw/zinc/55/64/26/385556426.db2.gz SLMUNLDOKBXVKP-STQMWFEESA-N 2 0 228.380 1.589 20 0 BDADRP Cc1ccncc1C[NH2+][C@H](C)CCCC[NH3+] ZINC000309437632 385581821 /nfs/dbraw/zinc/58/18/21/385581821.db2.gz YSDKQWNYAJSWNW-GFCCVEGCSA-N 2 0 221.348 1.997 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCN2CCCC[C@H]12 ZINC000309459428 385589748 /nfs/dbraw/zinc/58/97/48/385589748.db2.gz RLVHBXXXSOYWAR-JHJVBQTASA-N 3 0 225.380 1.330 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCN2CCCC[C@@H]12 ZINC000309459429 385591023 /nfs/dbraw/zinc/59/10/23/385591023.db2.gz RLVHBXXXSOYWAR-UPJWGTAASA-N 3 0 225.380 1.330 20 0 BDADRP C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000251149566 385616228 /nfs/dbraw/zinc/61/62/28/385616228.db2.gz XYAFZZISIRAAQK-ZDEQEGDKSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)[C@H]1CCCO1 ZINC000336679171 385621832 /nfs/dbraw/zinc/62/18/32/385621832.db2.gz FTFHPAYQSNAHKM-GMTAPVOTSA-N 2 0 200.326 1.271 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1[C@H](C)[C@H](OC)C12CCC2 ZINC000414849235 385626002 /nfs/dbraw/zinc/62/60/02/385626002.db2.gz XUFOTTJCUFPJII-RVMXOQNASA-N 2 0 240.391 1.635 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CCCOCC1CC1 ZINC000336681167 385636801 /nfs/dbraw/zinc/63/68/01/385636801.db2.gz IZSJBPMLFCDVDI-LLVKDONJSA-N 2 0 214.353 1.520 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCOC1 ZINC000336680995 385631944 /nfs/dbraw/zinc/63/19/44/385631944.db2.gz HFAFSBDXZMVRMR-GHMZBOCLSA-N 2 0 200.326 1.273 20 0 BDADRP CCN(CC[NH2+][C@@H]1CN(C)C[C@@H]1C)C1CC1 ZINC000309493209 385613357 /nfs/dbraw/zinc/61/33/57/385613357.db2.gz XSHOKEULVPPQDY-WCQYABFASA-N 2 0 225.380 1.010 20 0 BDADRP CC[C@@H](C)C[NH2+]CCCC[NH+]1CCOCC1 ZINC000093062202 385649431 /nfs/dbraw/zinc/64/94/31/385649431.db2.gz OULDGIUGANDHPG-CYBMUJFWSA-N 2 0 228.380 1.735 20 0 BDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(N)=[NH2+] ZINC000340034333 385690724 /nfs/dbraw/zinc/69/07/24/385690724.db2.gz UATLUSYAJJHBPJ-JTQLQIEISA-N 2 0 212.341 1.124 20 0 BDADRP C([NH2+][C@@H]1CCC[C@@H]1C1CC1)[C@@H]1CCC[NH2+]1 ZINC000414854422 385693267 /nfs/dbraw/zinc/69/32/67/385693267.db2.gz ZJOAPICCBKXLBZ-YNEHKIRRSA-N 2 0 208.349 1.907 20 0 BDADRP COC[C@@H](C)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000336687084 385702815 /nfs/dbraw/zinc/70/28/15/385702815.db2.gz MGUYWRPVPIIJIT-QWRGUYRKSA-N 2 0 202.342 1.376 20 0 BDADRP C[NH2+]CCC[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000414856487 385713708 /nfs/dbraw/zinc/71/37/08/385713708.db2.gz ALUHQBLHWUDWMW-RYUDHWBXSA-N 2 0 214.353 1.389 20 0 BDADRP Cc1nnc(CN(C)CCCn2ccnc2C)[nH]1 ZINC000270690832 385730740 /nfs/dbraw/zinc/73/07/40/385730740.db2.gz WEZPCNKMZMHIMT-UHFFFAOYSA-N 2 0 248.334 1.140 20 0 BDADRP OC1CC(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647794839 385740654 /nfs/dbraw/zinc/74/06/54/385740654.db2.gz DKUGTGANBWPRTB-VWGAPNJBSA-N 2 0 238.375 1.125 20 0 BDADRP CC(C)C[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000185880961 385743068 /nfs/dbraw/zinc/74/30/68/385743068.db2.gz QTYJKKSCNWHILP-ZDUSSCGKSA-N 2 0 227.396 1.258 20 0 BDADRP CCC1CCC([NH2+]CCN2CC[NH2+]CC2)CC1 ZINC000414862208 385750911 /nfs/dbraw/zinc/75/09/11/385750911.db2.gz GXZBXELQHSFDCU-UHFFFAOYSA-N 2 0 239.407 1.450 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)CCC[NH3+])N(C)C1CC1 ZINC000336698838 385752915 /nfs/dbraw/zinc/75/29/15/385752915.db2.gz ORYSESUMIAPJPL-WDEREUQCSA-N 2 0 213.369 1.186 20 0 BDADRP C[NH2+]Cc1cccc(NC[C@]2(C)CC[NH2+]C2)c1 ZINC000414862561 385755345 /nfs/dbraw/zinc/75/53/45/385755345.db2.gz HPGZFGJTQSDPFV-CQSZACIVSA-N 2 0 233.359 1.818 20 0 BDADRP C[C@H](CO)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000336737173 385760322 /nfs/dbraw/zinc/76/03/22/385760322.db2.gz JFCUVJCDLZKWNK-UMSGYPCISA-N 2 0 226.364 1.077 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000647797741 385787415 /nfs/dbraw/zinc/78/74/15/385787415.db2.gz AGKBKJGHTWTPFO-OJAKKHQRSA-N 2 0 208.349 1.763 20 0 BDADRP CCC[C@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000020128498 385774166 /nfs/dbraw/zinc/77/41/66/385774166.db2.gz FLJNKUDNPXBPAF-ZDUSSCGKSA-N 2 0 227.396 1.402 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000336704599 385784521 /nfs/dbraw/zinc/78/45/21/385784521.db2.gz KXTUEKSKRJIDCS-YPMHNXCESA-N 2 0 234.343 1.707 20 0 BDADRP CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647799201 385800123 /nfs/dbraw/zinc/80/01/23/385800123.db2.gz AORPPJALBMNDNE-QNSTZXKLSA-N 2 0 238.375 1.532 20 0 BDADRP C[C@H](C[C@@H]1COCCN1)[NH2+][C@H]1CCC[C@H](F)C1 ZINC000647799284 385800982 /nfs/dbraw/zinc/80/09/82/385800982.db2.gz CKJISDVKMGANFF-MROQNXINSA-N 2 0 244.354 1.624 20 0 BDADRP O[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647799715 385803196 /nfs/dbraw/zinc/80/31/96/385803196.db2.gz OSLLZSVYYPYVPX-QSLWVIQJSA-N 2 0 238.375 1.125 20 0 BDADRP COC[C@]1(C[NH2+][C@@H]2CC[C@@H](C)C2)CCC[NH2+]1 ZINC000414947987 385806166 /nfs/dbraw/zinc/80/61/66/385806166.db2.gz WIWVGQCLRHRCKK-JHJVBQTASA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H](CC1CCOCC1)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414948158 385808044 /nfs/dbraw/zinc/80/80/44/385808044.db2.gz XUMPLQKEQJNHIP-BZPMIXESSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H](C[NH2+][C@@H](C)C1C[NH2+]C1)CC(F)F ZINC000647800729 385810163 /nfs/dbraw/zinc/81/01/63/385810163.db2.gz JOGRKBWZJBKVSL-SFYZADRCSA-N 2 0 206.280 1.475 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)CCO1 ZINC000414950197 385817469 /nfs/dbraw/zinc/81/74/69/385817469.db2.gz FZXMFPLQYGYRMW-DGAVXFQQSA-N 2 0 240.391 1.779 20 0 BDADRP CCC[NH2+]CC[NH2+][C@H]1CCCOCC1 ZINC000414868382 385822171 /nfs/dbraw/zinc/82/21/71/385822171.db2.gz KEULOKJBTCCTRQ-NSHDSACASA-N 2 0 200.326 1.145 20 0 BDADRP Cc1c[nH+]ccc1NCC[N@H+]1CC=CCC1 ZINC000336740979 385836197 /nfs/dbraw/zinc/83/61/97/385836197.db2.gz QOLOLRIVAOMTID-UHFFFAOYSA-N 2 0 217.316 1.486 20 0 BDADRP C[C@H]([NH2+]CCCC1CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000647802855 385836499 /nfs/dbraw/zinc/83/64/99/385836499.db2.gz VZAOREHGFHSFJP-JSGCOSHPSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000414869593 385837609 /nfs/dbraw/zinc/83/76/09/385837609.db2.gz ASDWEOYFYAENNO-LLVKDONJSA-N 2 0 244.342 1.761 20 0 BDADRP C[C@@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1cccs1 ZINC000336740863 385839129 /nfs/dbraw/zinc/83/91/29/385839129.db2.gz MPQQVQWOCRMDTA-PWSUYJOCSA-N 2 0 240.372 1.465 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCS[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000647804539 385841147 /nfs/dbraw/zinc/84/11/47/385841147.db2.gz TUILWTYLTGPIMF-VPOLOUISSA-N 2 0 214.378 1.611 20 0 BDADRP CCn1cc(CN(C)C[C@@H]2CCC[NH2+]C2)cn1 ZINC000226439665 385849355 /nfs/dbraw/zinc/84/93/55/385849355.db2.gz GSDZOUOSLVZJIC-GFCCVEGCSA-N 2 0 236.363 1.334 20 0 BDADRP CCC1([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647798344 385795509 /nfs/dbraw/zinc/79/55/09/385795509.db2.gz PXYFQKYESHRAIG-IJLUTSLNSA-N 2 0 208.349 1.907 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]Cc1ccccc1N(C)C ZINC000414874096 385884651 /nfs/dbraw/zinc/88/46/51/385884651.db2.gz IAIGNSQIPZIBRJ-LLVKDONJSA-N 2 0 221.348 1.437 20 0 BDADRP CC[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+][C@H](C)C2)[C@@H](C)C1 ZINC000414961974 385889263 /nfs/dbraw/zinc/88/92/63/385889263.db2.gz ZLEPSDXVELHJAQ-DGAVXFQQSA-N 2 0 239.407 1.447 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]C1CCC2(CCOCC2)CC1 ZINC000414875611 385894802 /nfs/dbraw/zinc/89/48/02/385894802.db2.gz KBERJIHZXKWGIK-LBPRGKRZSA-N 2 0 240.391 1.910 20 0 BDADRP Cc1cccc(C)c1OCC[N@H+](C)CCC[NH3+] ZINC000647847528 385899050 /nfs/dbraw/zinc/89/90/50/385899050.db2.gz QWJHEDUPTLQBST-UHFFFAOYSA-N 2 0 236.359 1.963 20 0 BDADRP C([NH2+]C1CCN(C[C@H]2CC[NH2+]C2)CC1)C1CC1 ZINC000647850138 385901313 /nfs/dbraw/zinc/90/13/13/385901313.db2.gz MCUMTQWMNMANKG-ZDUSSCGKSA-N 2 0 237.391 1.060 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]C/C=C/c1ccccc1 ZINC000414876277 385908226 /nfs/dbraw/zinc/90/82/26/385908226.db2.gz LCAZATUMTDCWLC-ZCRIDZFUSA-N 2 0 204.317 1.884 20 0 BDADRP C[NH2+]Cc1ccc(N[C@H]2CC[NH2+]C2)cc1 ZINC000414966845 385923722 /nfs/dbraw/zinc/92/37/22/385923722.db2.gz APNJDDZDRTWQTR-LBPRGKRZSA-N 2 0 205.305 1.180 20 0 BDADRP COc1cccc(C[NH2+]C[C@@H](C)C[NH3+])c1OC ZINC000414872824 385865595 /nfs/dbraw/zinc/86/55/95/385865595.db2.gz GGMXCROVDFCKNT-JTQLQIEISA-N 2 0 238.331 1.388 20 0 BDADRP CCCn1nc(C)c(C[NH2+]C[C@@H](C)C[NH3+])c1C ZINC000414872789 385866174 /nfs/dbraw/zinc/86/61/74/385866174.db2.gz GDGCZQUIZCNGFP-JTQLQIEISA-N 2 0 238.379 1.594 20 0 BDADRP C[C@@H](Cn1cccn1)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414959434 385866368 /nfs/dbraw/zinc/86/63/68/385866368.db2.gz FJVOKEVLUKCUDZ-STQMWFEESA-N 2 0 236.363 1.393 20 0 BDADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@H]1CCCOC1 ZINC000250800512 385927958 /nfs/dbraw/zinc/92/79/58/385927958.db2.gz BIPLKOCMJCGGSZ-OLZOCXBDSA-N 2 0 226.364 1.616 20 0 BDADRP C[C@@H](C(=O)NCC(C)(C)[NH3+])[C@@H]([NH3+])c1ccccc1 ZINC000262651037 385871155 /nfs/dbraw/zinc/87/11/55/385871155.db2.gz VGXPHAQGIJWXOT-ZYHUDNBSSA-N 2 0 249.358 1.176 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1N(C)C ZINC000414959597 385875358 /nfs/dbraw/zinc/87/53/58/385875358.db2.gz PXSIYMGZBPSQAC-OCCSQVGLSA-N 2 0 247.386 1.840 20 0 BDADRP CC[NH+]1CCC(N[C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000335018391 385978750 /nfs/dbraw/zinc/97/87/50/385978750.db2.gz HHVDHACFOSYRIH-KGLIPLIRSA-N 3 0 239.407 1.720 20 0 BDADRP CC[NH+]1CCC(N[C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000335018392 385978874 /nfs/dbraw/zinc/97/88/74/385978874.db2.gz HHVDHACFOSYRIH-UONOGXRCSA-N 3 0 239.407 1.720 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@H](C)Cn1cccn1 ZINC000251177948 385934751 /nfs/dbraw/zinc/93/47/51/385934751.db2.gz GOVOFHIXUSQHOE-JHJVBQTASA-N 2 0 236.363 1.392 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H](C)Cn1cccn1 ZINC000251177951 385934906 /nfs/dbraw/zinc/93/49/06/385934906.db2.gz GOVOFHIXUSQHOE-UPJWGTAASA-N 2 0 236.363 1.392 20 0 BDADRP C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000251149562 385935635 /nfs/dbraw/zinc/93/56/35/385935635.db2.gz XYAFZZISIRAAQK-UMSGYPCISA-N 2 0 226.364 1.268 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC1(O)CCCCC1 ZINC000335042303 385936820 /nfs/dbraw/zinc/93/68/20/385936820.db2.gz JVXTUZGCLLXLLW-CHWSQXEVSA-N 2 0 240.391 1.931 20 0 BDADRP CC(C)COCC[NH+]1CCC(C)([NH3+])CC1 ZINC000647924177 385940473 /nfs/dbraw/zinc/94/04/73/385940473.db2.gz LLICCMCOEDBAGH-UHFFFAOYSA-N 2 0 214.353 1.472 20 0 BDADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)[C@H]1C[C@H]1C ZINC000414082118 385951762 /nfs/dbraw/zinc/95/17/62/385951762.db2.gz FKLUWPPMLMVCIU-RQJABVFESA-N 2 0 239.407 1.256 20 0 BDADRP CC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000335053673 385954459 /nfs/dbraw/zinc/95/44/59/385954459.db2.gz ZPOKPGKYOGWIPM-GXTWGEPZSA-N 2 0 232.327 1.852 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)O1 ZINC000309256109 385997564 /nfs/dbraw/zinc/99/75/64/385997564.db2.gz GKCQIWUERKJXDV-YVECIDJPSA-N 2 0 224.348 1.238 20 0 BDADRP Cc1noc(C)c1CN1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000335066241 386003336 /nfs/dbraw/zinc/00/33/36/386003336.db2.gz RPLUMYXPENLEAX-JSGCOSHPSA-N 2 0 249.358 1.817 20 0 BDADRP COC[C@H](C)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000336770497 386006911 /nfs/dbraw/zinc/00/69/11/386006911.db2.gz SZDDXKVHMBAKSK-LBPRGKRZSA-N 2 0 228.380 1.733 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]Cc1cccc(OC(F)F)c1 ZINC000414882360 386010632 /nfs/dbraw/zinc/01/06/32/386010632.db2.gz UDNUJDUTOIJZBL-SECBINFHSA-N 2 0 244.285 1.972 20 0 BDADRP Cc1nc(C)c(CN[C@@H](C)CC[NH+](C)C)o1 ZINC000309452141 386013257 /nfs/dbraw/zinc/01/32/57/386013257.db2.gz QDWHCFCSJUAKMU-VIFPVBQESA-N 2 0 225.336 1.721 20 0 BDADRP COC1(C[NH2+][C@@H]2CCC[NH2+]CC2)CCCC1 ZINC000309479939 386013443 /nfs/dbraw/zinc/01/34/43/386013443.db2.gz DEHQTRSFMUJJAQ-GFCCVEGCSA-N 2 0 226.364 1.677 20 0 BDADRP Cc1ccc([C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])C(C)C)cc1 ZINC000295331947 386015318 /nfs/dbraw/zinc/01/53/18/386015318.db2.gz ZOPQPNJKMKYPKB-CHWSQXEVSA-N 2 0 249.358 1.094 20 0 BDADRP COCC1(C[NH2+][C@@H]2CCC[C@@H]2C)CC[NH2+]CC1 ZINC000414976639 386026474 /nfs/dbraw/zinc/02/64/74/386026474.db2.gz PNMPCCGAMVWOGP-QWHCGFSZSA-N 2 0 240.391 1.781 20 0 BDADRP CC[C@@H]([NH3+])CNCc1c(C)cc(OC)nc1C ZINC000414976975 386029003 /nfs/dbraw/zinc/02/90/03/386029003.db2.gz IZULUAYZAXFETC-LLVKDONJSA-N 2 0 237.347 1.534 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]C[C@@H](C)CC1CCOCC1 ZINC000414884242 386045939 /nfs/dbraw/zinc/04/59/39/386045939.db2.gz VXRPFNAZNVAERO-NWDGAFQWSA-N 2 0 228.380 1.624 20 0 BDADRP CCN1C[C@H](C)[C@H]([NH2+]C[C@@H]2C[C@H](C)O[C@@H]2C)C1 ZINC000414251478 386057673 /nfs/dbraw/zinc/05/76/73/386057673.db2.gz ACMGCYDTSLWGNA-PDWCTOEPSA-N 2 0 240.391 1.730 20 0 BDADRP CC[N@H+](CC1CC[NH2+]CC1)[C@H]1CCC[NH2+]CC1 ZINC000345188405 386055364 /nfs/dbraw/zinc/05/53/64/386055364.db2.gz KMNRBZUBHITANS-AWEZNQCLSA-N 2 0 239.407 1.450 20 0 BDADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H](C)[NH+](C)C ZINC000345316692 386104295 /nfs/dbraw/zinc/10/42/95/386104295.db2.gz ARMXJIPBZMTSTQ-GHMZBOCLSA-N 2 0 243.395 1.219 20 0 BDADRP C[C@H](C[NH2+][C@H](C)[C@@H]1CCCOC1)C[NH+](C)C ZINC000336738549 386107244 /nfs/dbraw/zinc/10/72/44/386107244.db2.gz KIMDIDOQWFFEDB-JHJVBQTASA-N 2 0 228.380 1.589 20 0 BDADRP C[C@H](CC(C)(C)O)[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000331861629 386112860 /nfs/dbraw/zinc/11/28/60/386112860.db2.gz AJPNOENWKCAWTG-WOPDTQHZSA-N 2 0 228.380 1.786 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@H](C)Cc1cccc(OC)n1 ZINC000414981010 386058123 /nfs/dbraw/zinc/05/81/23/386058123.db2.gz BCVTZORKSKMZOH-MNOVXSKESA-N 2 0 237.347 1.348 20 0 BDADRP C[C@H](CC[NH3+])[NH2+]Cc1cccc2c1NCC2 ZINC000414885590 386064485 /nfs/dbraw/zinc/06/44/85/386064485.db2.gz CBNPPJARKONRNN-SNVBAGLBSA-N 2 0 219.332 1.482 20 0 BDADRP C[C@H](CC[NH3+])[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000414886364 386074485 /nfs/dbraw/zinc/07/44/85/386074485.db2.gz PVBIXTDWBOCSRG-GFCCVEGCSA-N 3 0 244.342 1.699 20 0 BDADRP C[C@@H]1[C@H](C)[NH2+]CCN1CCCC1CC[NH2+]CC1 ZINC000647941194 386081006 /nfs/dbraw/zinc/08/10/06/386081006.db2.gz CKDDCMBCZUPEOB-QWHCGFSZSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@H]2CC[NH2+]CC2(C)C)CC[NH2+]1 ZINC000414983453 386084569 /nfs/dbraw/zinc/08/45/69/386084569.db2.gz ZQVHSSDJXAKEJU-UPJWGTAASA-N 3 0 239.407 1.352 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)C1CCOCC1 ZINC000336738501 386086751 /nfs/dbraw/zinc/08/67/51/386086751.db2.gz KGHHJQLNRIHQPB-RYUDHWBXSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@@H]1CN(CC[NH2+]C(C)(C)C)CC[C@H]1[NH3+] ZINC000414659923 386090659 /nfs/dbraw/zinc/09/06/59/386090659.db2.gz NQVGFGDBIDFVHC-GHMZBOCLSA-N 2 0 213.369 1.044 20 0 BDADRP C[C@H]1CN(CC[NH2+]C(C)(C)C)CC[C@@H]1[NH3+] ZINC000414659926 386091844 /nfs/dbraw/zinc/09/18/44/386091844.db2.gz NQVGFGDBIDFVHC-QWRGUYRKSA-N 2 0 213.369 1.044 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)[C@@H](C)O1 ZINC000414282464 386094471 /nfs/dbraw/zinc/09/44/71/386094471.db2.gz NXBJNCIQQDFOKC-DHGKCCLASA-N 2 0 240.391 1.730 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000414663382 386096629 /nfs/dbraw/zinc/09/66/29/386096629.db2.gz RKNOUODISAHTCG-TUAOUCFPSA-N 2 0 213.369 1.029 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000414888206 386098013 /nfs/dbraw/zinc/09/80/13/386098013.db2.gz ZTLKULHGJZMMQY-JTQLQIEISA-N 2 0 245.326 1.625 20 0 BDADRP C[N@H+](CCC[NH+]1CCCCC1)CC1(CO)CC1 ZINC000190010086 386144701 /nfs/dbraw/zinc/14/47/01/386144701.db2.gz CAVIOSYGCJYJCX-UHFFFAOYSA-N 2 0 240.391 1.567 20 0 BDADRP C[NH+](C)C1CCC([NH2+]C2CSC2)CC1 ZINC000643296023 386149205 /nfs/dbraw/zinc/14/92/05/386149205.db2.gz JITPAMIPSXSBAF-UHFFFAOYSA-N 2 0 214.378 1.564 20 0 BDADRP CC[C@H](COC)[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414992746 386158945 /nfs/dbraw/zinc/15/89/45/386158945.db2.gz CATCKYYEEXDZBF-IJLUTSLNSA-N 2 0 214.353 1.519 20 0 BDADRP CC[N@H+](CCC1CC[NH2+]CC1)C[C@@H]1CCOC1 ZINC000647878434 386159952 /nfs/dbraw/zinc/15/99/52/386159952.db2.gz HKKAZCHOKVMNTM-AWEZNQCLSA-N 2 0 240.391 1.735 20 0 BDADRP CCC[N@H+](CCO)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414681682 386164275 /nfs/dbraw/zinc/16/42/75/386164275.db2.gz PRWYYGXEDWZNTH-NEPJUHHUSA-N 2 0 214.353 1.079 20 0 BDADRP CCC[N@H+](CCO)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414681686 386165052 /nfs/dbraw/zinc/16/50/52/386165052.db2.gz PRWYYGXEDWZNTH-VXGBXAGGSA-N 2 0 214.353 1.079 20 0 BDADRP CC[C@@H](C(=O)N[C@@H](C)C[NH+](C)C)[NH+](CC)CC ZINC000346168579 386174484 /nfs/dbraw/zinc/17/44/84/386174484.db2.gz UARYRCQCCIBUIT-RYUDHWBXSA-N 2 0 243.395 1.173 20 0 BDADRP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)nc1 ZINC000130578515 386175641 /nfs/dbraw/zinc/17/56/41/386175641.db2.gz NBEPZNVJGFLVEE-CFVMTHIKSA-N 2 0 245.370 1.949 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000647880993 386207771 /nfs/dbraw/zinc/20/77/71/386207771.db2.gz OGQBGRCPYVVAMC-LLVKDONJSA-N 2 0 222.336 1.199 20 0 BDADRP C[NH2+]C[C@@H]1CCN(Cc2sccc2OC)C1 ZINC000347062661 386209751 /nfs/dbraw/zinc/20/97/51/386209751.db2.gz IJJWGGDHBVAPGB-JTQLQIEISA-N 2 0 240.372 1.798 20 0 BDADRP CC[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000339012223 386210466 /nfs/dbraw/zinc/21/04/66/386210466.db2.gz WGFRVINCPZRPLK-UPJWGTAASA-N 2 0 228.380 1.562 20 0 BDADRP Cc1ncccc1C[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414999293 386213745 /nfs/dbraw/zinc/21/37/45/386213745.db2.gz RPCNGNDCXTULNS-GXTWGEPZSA-N 2 0 233.359 1.997 20 0 BDADRP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000414709263 386221553 /nfs/dbraw/zinc/22/15/53/386221553.db2.gz QRBMEXNPCCYKED-AVGNSLFASA-N 2 0 228.380 1.595 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1[C@H](C)C[NH2+]C[C@@H]1C ZINC000414706619 386223173 /nfs/dbraw/zinc/22/31/73/386223173.db2.gz GQYAXFXFLDDECW-GRYCIOLGSA-N 2 0 213.369 1.042 20 0 BDADRP COC(=O)CCC(C)(C)[NH2+]C[C@H]([NH3+])CC(C)C ZINC000414710522 386224403 /nfs/dbraw/zinc/22/44/03/386224403.db2.gz LDTCCQZMFOJVQS-LLVKDONJSA-N 2 0 244.379 1.681 20 0 BDADRP Cc1cc(C[N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)no1 ZINC000414711403 386227115 /nfs/dbraw/zinc/22/71/15/386227115.db2.gz TXIUTFMCFIACMO-CMPLNLGQSA-N 2 0 237.347 1.803 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414898511 386230224 /nfs/dbraw/zinc/23/02/24/386230224.db2.gz APGKAQWAUXMHBL-VXGBXAGGSA-N 2 0 222.336 1.003 20 0 BDADRP CCC[C@](C)(CO)[NH2+]C[C@H]([NH3+])CC(C)C ZINC000414713203 386230302 /nfs/dbraw/zinc/23/03/02/386230302.db2.gz TYFVYYPLPMWDJU-VXGBXAGGSA-N 2 0 216.369 1.501 20 0 BDADRP CCC1(C[N@@H+]2CCC[C@@H](C[NH3+])C2)CCOCC1 ZINC000347112650 386231649 /nfs/dbraw/zinc/23/16/49/386231649.db2.gz RFYSPIMRVSRLMI-ZDUSSCGKSA-N 2 0 240.391 1.864 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000415001212 386231674 /nfs/dbraw/zinc/23/16/74/386231674.db2.gz KRIQEPIGBPWVAS-BJDJZHNGSA-N 2 0 212.337 1.271 20 0 BDADRP CN(CC[NH2+]C(C)(C)C)C[C@H]1CCC[C@@H]1O ZINC000414716486 386238930 /nfs/dbraw/zinc/23/89/30/386238930.db2.gz YCLKMTDSGVRUJV-NEPJUHHUSA-N 2 0 228.380 1.467 20 0 BDADRP COc1ccccc1/C=C/C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000347094428 386247821 /nfs/dbraw/zinc/24/78/21/386247821.db2.gz HHYYMVHFVUWPEK-DIECRNLCSA-N 2 0 246.354 1.989 20 0 BDADRP CC(C)([NH3+])CN1CCC([NH2+]CC2CC2)CC1 ZINC000347109764 386254065 /nfs/dbraw/zinc/25/40/65/386254065.db2.gz PKPFHILYANBZBI-UHFFFAOYSA-N 2 0 225.380 1.188 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]C[C@H]2CCSC2)C1 ZINC000414997347 386193961 /nfs/dbraw/zinc/19/39/61/386193961.db2.gz HFQUYQKUGPGIDM-QJPTWQEYSA-N 2 0 228.405 1.847 20 0 BDADRP CCSCC[C@H](C)[N@H+](C)CCC[NH3+] ZINC000414698533 386199600 /nfs/dbraw/zinc/19/96/00/386199600.db2.gz CYBUCAFRKPHBQE-JTQLQIEISA-N 2 0 204.383 1.799 20 0 BDADRP CCOC[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647885771 386287228 /nfs/dbraw/zinc/28/72/28/386287228.db2.gz OMXNPAQXFVMKGP-CHWSQXEVSA-N 2 0 226.364 1.344 20 0 BDADRP c1ccc(CN(C[C@@H]2CC[NH2+]C2)C2CC2)nc1 ZINC000647988141 386294744 /nfs/dbraw/zinc/29/47/44/386294744.db2.gz UKMPTQBEBNZWTQ-GFCCVEGCSA-N 2 0 231.343 1.656 20 0 BDADRP CC(C)C[C@@H](N)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000414733640 386295663 /nfs/dbraw/zinc/29/56/63/386295663.db2.gz JUYJYXRDJFQVOH-QWHCGFSZSA-N 2 0 227.396 1.421 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CC[C@@](C)(C[NH3+])C1 ZINC000414733658 386296064 /nfs/dbraw/zinc/29/60/64/386296064.db2.gz JYTUCVXOABLXEQ-NEPJUHHUSA-N 3 0 213.369 1.031 20 0 BDADRP C[N@H+](CC[C@H]1CCCC[NH+]1C)CCC(C)(C)O ZINC000347295577 386298167 /nfs/dbraw/zinc/29/81/67/386298167.db2.gz BUUPVLNCXNDDJF-CYBMUJFWSA-N 2 0 242.407 1.954 20 0 BDADRP CC[N@@H+]1C[C@H](C)N(C[C@H]([NH3+])CC(C)C)C[C@@H]1C ZINC000414733955 386298774 /nfs/dbraw/zinc/29/87/74/386298774.db2.gz FJQZGHOELFOTIR-MELADBBJSA-N 2 0 241.423 1.774 20 0 BDADRP FCCCCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000308452460 386303603 /nfs/dbraw/zinc/30/36/03/386303603.db2.gz CRYZBEVTHKMDRK-QWRGUYRKSA-N 2 0 200.301 1.277 20 0 BDADRP COC1CC([NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000347304597 386307417 /nfs/dbraw/zinc/30/74/17/386307417.db2.gz DJOUNMDALBRJRU-IYXRBSQSSA-N 2 0 240.391 1.874 20 0 BDADRP CSCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000336674866 386309045 /nfs/dbraw/zinc/30/90/45/386309045.db2.gz SIHZGZVOFVHIKB-UHFFFAOYSA-N 2 0 216.394 1.623 20 0 BDADRP Cc1ccc(O)c(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000091996158 386319911 /nfs/dbraw/zinc/31/99/11/386319911.db2.gz YOQVYSIBRKWZDV-NEPJUHHUSA-N 2 0 249.358 1.655 20 0 BDADRP CCCN(C[C@H]1CCC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000347178109 386270771 /nfs/dbraw/zinc/27/07/71/386270771.db2.gz SETMQKIPOBXYHN-QWHCGFSZSA-N 2 0 225.380 1.060 20 0 BDADRP COC[C@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000081066852 386279210 /nfs/dbraw/zinc/27/92/10/386279210.db2.gz XKMZXXWIVQBTLI-ZDUSSCGKSA-N 2 0 226.364 1.344 20 0 BDADRP CO[C@H](C)C[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000336682276 386340341 /nfs/dbraw/zinc/34/03/41/386340341.db2.gz JIZAJPNDZDJXSE-VXGBXAGGSA-N 2 0 214.353 1.437 20 0 BDADRP CC[C@]1(C)COCC[N@@H+]1CCn1ccnc1 ZINC000336687152 386347541 /nfs/dbraw/zinc/34/75/41/386347541.db2.gz XJFJIFODQXHIDW-GFCCVEGCSA-N 2 0 223.320 1.384 20 0 BDADRP C[C@@H](Cn1cccn1)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414905088 386352749 /nfs/dbraw/zinc/35/27/49/386352749.db2.gz LDYPBXAAQLCJPO-QWHCGFSZSA-N 2 0 236.363 1.251 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414905087 386353111 /nfs/dbraw/zinc/35/31/11/386353111.db2.gz LDYPBXAAQLCJPO-OLZOCXBDSA-N 2 0 236.363 1.251 20 0 BDADRP CC[N@H+](CCc1nccs1)C[C@@H]1CC[NH2+]C1 ZINC000647989651 386361492 /nfs/dbraw/zinc/36/14/92/386361492.db2.gz SCMSUEIVGSGZAQ-LLVKDONJSA-N 2 0 239.388 1.617 20 0 BDADRP CC[C@H](C(=O)N1CCC[C@@H]([NH3+])C1)[NH+](CC)CC ZINC000347362630 386364531 /nfs/dbraw/zinc/36/45/31/386364531.db2.gz CJMUAVZVOHSXMF-VXGBXAGGSA-N 2 0 241.379 1.057 20 0 BDADRP C[NH+](C)CC1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000336692759 386365104 /nfs/dbraw/zinc/36/51/04/386365104.db2.gz IRYUFSLUPGDKJV-CQSZACIVSA-N 2 0 240.391 1.687 20 0 BDADRP CC(C)C[C@H]([NH3+])C[N@H+](C)CCCCCO ZINC000414750367 386371336 /nfs/dbraw/zinc/37/13/36/386371336.db2.gz XSYOBEMXBRTZON-LBPRGKRZSA-N 2 0 216.369 1.454 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCC[NH+](C)C)[C@@H](C)C1 ZINC000347383632 386376637 /nfs/dbraw/zinc/37/66/37/386376637.db2.gz YMWFZWBWTIOUBQ-UONOGXRCSA-N 3 0 241.423 1.648 20 0 BDADRP CCn1nccc1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000415008174 386376816 /nfs/dbraw/zinc/37/68/16/386376816.db2.gz CLHYSDQPEAORGS-NSHDSACASA-N 2 0 224.352 1.510 20 0 BDADRP C[C@H]([NH3+])[C@H](C)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000133949375 386381632 /nfs/dbraw/zinc/38/16/32/386381632.db2.gz ORMBNPHRGQLUEQ-QWRGUYRKSA-N 2 0 249.358 1.670 20 0 BDADRP COC(C)(C)[C@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000336775429 386384279 /nfs/dbraw/zinc/38/42/79/386384279.db2.gz YZUIXHAZRZOFEI-NSHDSACASA-N 2 0 226.364 1.651 20 0 BDADRP Cc1cc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)nn1C ZINC000414742515 386326945 /nfs/dbraw/zinc/32/69/45/386326945.db2.gz UIDFYLNHQMSOMO-LBPRGKRZSA-N 2 0 236.363 1.289 20 0 BDADRP COC[C@H](CC(C)C)[NH2+]CCCC[NH+](C)C ZINC000336775340 386385976 /nfs/dbraw/zinc/38/59/76/386385976.db2.gz YTKATVSZCFHOAS-ZDUSSCGKSA-N 2 0 230.396 1.979 20 0 BDADRP Cc1ccncc1C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414903326 386339461 /nfs/dbraw/zinc/33/94/61/386339461.db2.gz IFUWXSHKMISGPZ-CQSZACIVSA-N 2 0 233.359 1.869 20 0 BDADRP CC[NH+](CC)CCOCC[NH2+]C1CC(OC)C1 ZINC000347486977 386438384 /nfs/dbraw/zinc/43/83/84/386438384.db2.gz HASASRKSCITBBX-UHFFFAOYSA-N 2 0 244.379 1.112 20 0 BDADRP C[NH+](C)CCOc1cccc(N[C@H]2CC[NH2+]C2)c1 ZINC000094079799 386444528 /nfs/dbraw/zinc/44/45/28/386444528.db2.gz BXXVKEAEOTYRJY-ZDUSSCGKSA-N 2 0 249.358 1.401 20 0 BDADRP CC(C)[NH+]1CCC([N@H+](C)C[C@H]2CCOC2)CC1 ZINC000336722373 386447030 /nfs/dbraw/zinc/44/70/30/386447030.db2.gz ZZIWDSHOVKELDW-CYBMUJFWSA-N 2 0 240.391 1.828 20 0 BDADRP CN(C)c1ncc(CN(C)C2CC([NH3+])C2)s1 ZINC000414769101 386447771 /nfs/dbraw/zinc/44/77/71/386447771.db2.gz JIJUKNUQAORFPD-UHFFFAOYSA-N 2 0 240.376 1.131 20 0 BDADRP C[NH2+]CCC[N@H+](C)CCCC1CC[NH2+]CC1 ZINC000647992457 386448161 /nfs/dbraw/zinc/44/81/61/386448161.db2.gz BCWSBJIILFVCGY-UHFFFAOYSA-N 2 0 227.396 1.308 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCCCF)CC[N@@H+]1C ZINC000308475502 386389119 /nfs/dbraw/zinc/38/91/19/386389119.db2.gz DLVXOFQHSJFKII-GHMZBOCLSA-N 2 0 202.317 1.808 20 0 BDADRP CCC[NH+]1CCC(NCC[C@H]2CCC[NH2+]2)CC1 ZINC000414909025 386408116 /nfs/dbraw/zinc/40/81/16/386408116.db2.gz SJGPYCNNSSPTLL-CYBMUJFWSA-N 2 0 239.407 1.593 20 0 BDADRP CCOC1CC([N@H+](C)CCCn2ccnc2)C1 ZINC000347453821 386409341 /nfs/dbraw/zinc/40/93/41/386409341.db2.gz MNOLZQAIEFNJQR-UHFFFAOYSA-N 2 0 237.347 1.773 20 0 BDADRP Cc1n[nH]cc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000093452640 386414099 /nfs/dbraw/zinc/41/40/99/386414099.db2.gz RCSUEFLKIXFBTP-HZSPNIEDSA-N 2 0 248.374 1.728 20 0 BDADRP Cc1ccc(CCC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000339410446 386416069 /nfs/dbraw/zinc/41/60/69/386416069.db2.gz TZYKRIJFPBRNPF-GASCZTMLSA-N 2 0 245.370 1.474 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)NCC[C@H]1CCC[NH2+]1 ZINC000414911135 386451837 /nfs/dbraw/zinc/45/18/37/386451837.db2.gz WHWOBVHZPGISBL-JHJVBQTASA-N 2 0 225.380 1.249 20 0 BDADRP Cc1cccc(C[NH+]2CCN(C[C@H](C)[NH3+])CC2)c1 ZINC000442664465 386416746 /nfs/dbraw/zinc/41/67/46/386416746.db2.gz WLIPITRCNKTBCM-AWEZNQCLSA-N 2 0 247.386 1.460 20 0 BDADRP CCCC[N@H+](C)CC1CCN(C[C@H](C)[NH3+])CC1 ZINC000442664633 386420667 /nfs/dbraw/zinc/42/06/67/386420667.db2.gz MUIMLSHWNUMGIM-ZDUSSCGKSA-N 2 0 241.423 1.778 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@H](O)C(C)(C)C2)CC[NH2+]1 ZINC000414762002 386421648 /nfs/dbraw/zinc/42/16/48/386421648.db2.gz VEZXIJJCVRCSAZ-UTUOFQBUSA-N 2 0 226.364 1.077 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]CC2(O)CCCC2)C1 ZINC000519536150 386480267 /nfs/dbraw/zinc/48/02/67/386480267.db2.gz JBWQCSNDUIPBKT-CHWSQXEVSA-N 2 0 240.391 1.754 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000453380752 386495641 /nfs/dbraw/zinc/49/56/41/386495641.db2.gz RFFNKVPHQKLESH-XDQVBPFNSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414780739 386497797 /nfs/dbraw/zinc/49/77/97/386497797.db2.gz LXEYZDBBQKNPKK-XJFOESAGSA-N 2 0 222.376 1.964 20 0 BDADRP CCCn1cc(C[NH2+][C@@H](C)CCC[NH3+])cn1 ZINC000415019668 386501047 /nfs/dbraw/zinc/50/10/47/386501047.db2.gz IGWVUCOFFIOXDR-NSHDSACASA-N 2 0 224.352 1.510 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000415018516 386503929 /nfs/dbraw/zinc/50/39/29/386503929.db2.gz GZBABIQHNLGCBX-NSHDSACASA-N 2 0 238.379 1.855 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000415020361 386508004 /nfs/dbraw/zinc/50/80/04/386508004.db2.gz XIGRMNYJCPMANL-LPWJVIDDSA-N 2 0 240.391 1.907 20 0 BDADRP COc1cccc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000415051408 386508742 /nfs/dbraw/zinc/50/87/42/386508742.db2.gz ZKKZLJWROVRADV-YPMHNXCESA-N 2 0 234.343 1.912 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000415020312 386509121 /nfs/dbraw/zinc/50/91/21/386509121.db2.gz XAAMCLZFXWVOAU-FRRDWIJNSA-N 3 0 227.396 1.482 20 0 BDADRP C(CC1CCCCC1)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415020378 386509199 /nfs/dbraw/zinc/50/91/99/386509199.db2.gz ASDJGOPBIZZHHZ-ITGUQSILSA-N 2 0 208.349 1.764 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415022251 386512355 /nfs/dbraw/zinc/51/23/55/386512355.db2.gz ISWJFGSPXMTCHM-IHRRRGAJSA-N 3 0 241.423 1.715 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000415025831 386513871 /nfs/dbraw/zinc/51/38/71/386513871.db2.gz RUKHCVDFEUYHLI-LPWJVIDDSA-N 2 0 238.375 1.661 20 0 BDADRP C[C@@H](Cn1cccn1)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000340371809 386515670 /nfs/dbraw/zinc/51/56/70/386515670.db2.gz QDYOJEIWTKMTRF-STQMWFEESA-N 2 0 236.363 1.346 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)CCO1 ZINC000415029531 386516199 /nfs/dbraw/zinc/51/61/99/386516199.db2.gz DSQYSFJSOYDSTK-DGAVXFQQSA-N 2 0 240.391 1.907 20 0 BDADRP Cc1ccc(O)c(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)n1 ZINC000415028046 386517126 /nfs/dbraw/zinc/51/71/26/386517126.db2.gz BYBSCXHWPJXKLS-GHMZBOCLSA-N 2 0 235.331 1.313 20 0 BDADRP C[NH2+]CCC[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000163335985 386518072 /nfs/dbraw/zinc/51/80/72/386518072.db2.gz AVDQZFIHVDUCBK-UHFFFAOYSA-N 2 0 218.304 1.262 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C[C@@H](C)C1 ZINC000415030243 386519099 /nfs/dbraw/zinc/51/90/99/386519099.db2.gz CICWIYZEFQEMRK-DGAVXFQQSA-N 2 0 240.391 1.779 20 0 BDADRP CC(C)CC[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415033170 386520987 /nfs/dbraw/zinc/52/09/87/386520987.db2.gz GQIIZVIDJNEAJK-OLZOCXBDSA-N 2 0 228.380 1.779 20 0 BDADRP c1ccc([C@@H]2C[C@H]2C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415037298 386523288 /nfs/dbraw/zinc/52/32/88/386523288.db2.gz MYAXJIJJFPARRU-BTFPBAQTSA-N 2 0 228.339 1.598 20 0 BDADRP COC[C@H](CC(C)C)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415043958 386530397 /nfs/dbraw/zinc/53/03/97/386530397.db2.gz RSPJLMQDPIJEGR-STQMWFEESA-N 2 0 244.379 1.016 20 0 BDADRP C[C@@H]1CCC[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H]1C ZINC000415036445 386525128 /nfs/dbraw/zinc/52/51/28/386525128.db2.gz LUAPEEWCPHQXMW-XARVFOJUSA-N 2 0 208.349 1.619 20 0 BDADRP CC[N@H+](CCn1ccnc1)C[C@@H](C)OC ZINC000291230772 386526146 /nfs/dbraw/zinc/52/61/46/386526146.db2.gz MIAHYYFKFQCJMN-LLVKDONJSA-N 2 0 211.309 1.240 20 0 BDADRP C[C@@H](C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(F)cc1 ZINC000415038784 386526321 /nfs/dbraw/zinc/52/63/21/386526321.db2.gz OLKMQTZYISKGKE-OLRMPSLUSA-N 2 0 234.318 1.737 20 0 BDADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cccc3c2NCC3)C1 ZINC000415040731 386527346 /nfs/dbraw/zinc/52/73/46/386527346.db2.gz PHFUQIHCDLAVCM-FZMZJTMJSA-N 2 0 245.370 1.872 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000415081751 386598184 /nfs/dbraw/zinc/59/81/84/386598184.db2.gz KXZJLGFUELWLMO-PNESKVBLSA-N 2 0 236.363 1.379 20 0 BDADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)[C@@H]1CCOC1 ZINC000453404236 386589348 /nfs/dbraw/zinc/58/93/48/386589348.db2.gz PJJTXSQWQCWIGB-CHWSQXEVSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)OCCC[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415081526 386591952 /nfs/dbraw/zinc/59/19/52/386591952.db2.gz KPRJZFZVKQKRMW-STQMWFEESA-N 2 0 228.380 1.779 20 0 BDADRP CCC[C@H](CCO)C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000300376596 386592455 /nfs/dbraw/zinc/59/24/55/386592455.db2.gz LWYXLIKNPJKLRU-AGIUHOORSA-N 2 0 228.380 1.502 20 0 BDADRP CCCc1csc(CN[C@@H](C[NH3+])C2CC2)n1 ZINC000414799413 386594551 /nfs/dbraw/zinc/59/45/51/386594551.db2.gz DNSXETOFZOBMMW-NSHDSACASA-N 2 0 239.388 1.923 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000414799975 386594725 /nfs/dbraw/zinc/59/47/25/386594725.db2.gz KKSNVLIYXOSRMM-ZOBORPQBSA-N 3 0 239.407 1.624 20 0 BDADRP CCCC[C@@H]([NH3+])C(=O)NCC1([NH3+])CCCCC1 ZINC000442713475 386530984 /nfs/dbraw/zinc/53/09/84/386530984.db2.gz IFGODFYIUHMOQV-LLVKDONJSA-N 2 0 241.379 1.282 20 0 BDADRP CCC[C@H](CC)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415045215 386531079 /nfs/dbraw/zinc/53/10/79/386531079.db2.gz SZURJZKITLVXTE-NWDGAFQWSA-N 2 0 214.353 1.533 20 0 BDADRP C[C@@H]1[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@H]1c1ccccc1 ZINC000415044531 386531371 /nfs/dbraw/zinc/53/13/71/386531371.db2.gz VKYJWUYKNNQNNE-MRHCDFOMSA-N 2 0 242.366 1.986 20 0 BDADRP C[C@H](CCN(CC[NH3+])CCO)c1ccccc1 ZINC000414917227 386532320 /nfs/dbraw/zinc/53/23/20/386532320.db2.gz VGVHJDWDCPYGCQ-CYBMUJFWSA-N 2 0 236.359 1.433 20 0 BDADRP C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415046626 386532682 /nfs/dbraw/zinc/53/26/82/386532682.db2.gz XQRYLJLGGCXITH-XSXPHNMFSA-N 2 0 230.355 1.986 20 0 BDADRP CN(Cc1ccc(F)cc1Cl)C[C@H](O)C[NH3+] ZINC000336755122 386533120 /nfs/dbraw/zinc/53/31/20/386533120.db2.gz XNEQNOVXXIAMIW-SNVBAGLBSA-N 2 0 246.713 1.231 20 0 BDADRP CN(Cc1cc2ccccc2o1)C[C@H](O)C[NH3+] ZINC000415055455 386537653 /nfs/dbraw/zinc/53/76/53/386537653.db2.gz NBFDACIGMVSTIX-LLVKDONJSA-N 2 0 234.299 1.184 20 0 BDADRP C[C@@H]1CN([C@H]2CCC[NH2+]CC2)C[C@@]1(C)C[NH3+] ZINC000415056026 386537896 /nfs/dbraw/zinc/53/78/96/386537896.db2.gz NXLTUORIIWONQF-FRRDWIJNSA-N 3 0 225.380 1.045 20 0 BDADRP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000414789510 386538601 /nfs/dbraw/zinc/53/86/01/386538601.db2.gz OQNNHDOSRZERIC-HUUCEWRRSA-N 2 0 246.354 1.234 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000519711325 386542288 /nfs/dbraw/zinc/54/22/88/386542288.db2.gz OJTFAOGBIZWHSX-STQMWFEESA-N 3 0 225.380 1.047 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@](C)(O)C2)[C@@H](C)C1 ZINC000417360156 386543947 /nfs/dbraw/zinc/54/39/47/386543947.db2.gz XDAAUNDTSVWJGL-ZDEQEGDKSA-N 2 0 226.364 1.220 20 0 BDADRP c1ccc2c(c1)NCCC[C@@H]2[NH2+]CC1C[NH2+]C1 ZINC000335462700 386545616 /nfs/dbraw/zinc/54/56/16/386545616.db2.gz TYBUERCSNIWUFI-AWEZNQCLSA-N 2 0 231.343 1.742 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](CCc2cccnc2)C1 ZINC000063223657 386546795 /nfs/dbraw/zinc/54/67/95/386546795.db2.gz GUABTRQUMUCCHV-ZDUSSCGKSA-N 2 0 219.332 1.295 20 0 BDADRP CC[C@@H](C[N@H+](C)C[C@@H](O)C[NH3+])c1ccccc1 ZINC000415067770 386548180 /nfs/dbraw/zinc/54/81/80/386548180.db2.gz LMKOASYGEAHEMI-JSGCOSHPSA-N 2 0 236.359 1.432 20 0 BDADRP CC[C@@H]1C[C@@H](C[NH2+]CCC[NH2+]C2CC2)CCO1 ZINC000415066936 386548657 /nfs/dbraw/zinc/54/86/57/386548657.db2.gz JQTTUBCWHKSOQD-GXTWGEPZSA-N 2 0 240.391 1.923 20 0 BDADRP NC[C@H]([NH2+]CC1CC[NH2+]CC1)C1CCCC1 ZINC000415064993 386548837 /nfs/dbraw/zinc/54/88/37/386548837.db2.gz LXKKWEJYYOIKEX-ZDUSSCGKSA-N 2 0 225.380 1.093 20 0 BDADRP CCOCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975107 386550607 /nfs/dbraw/zinc/55/06/07/386550607.db2.gz LNMMAFMAXZAUEE-KBPBESRZSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H](C)C1 ZINC000415069918 386551239 /nfs/dbraw/zinc/55/12/39/386551239.db2.gz XYFLUWPEFCXDKX-HKLHZYFVSA-N 2 0 208.349 1.619 20 0 BDADRP CC[NH+](CC)CCN[C@H]1C[N@H+](CC)C[C@@H]1C ZINC000336780473 386551897 /nfs/dbraw/zinc/55/18/97/386551897.db2.gz RKQDHIZCNXUNFI-STQMWFEESA-N 2 0 227.396 1.258 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000308558511 386559483 /nfs/dbraw/zinc/55/94/83/386559483.db2.gz CRYLTDSEBFSGST-GMTAPVOTSA-N 2 0 202.342 1.197 20 0 BDADRP C[NH2+]CCCN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647902717 386561735 /nfs/dbraw/zinc/56/17/35/386561735.db2.gz BKSSPYVLHJXTKO-STQMWFEESA-N 3 0 225.380 1.060 20 0 BDADRP COc1cccc2c1CC[C@H]([NH2+]CC(C)(C)[NH3+])C2 ZINC000414811720 386628697 /nfs/dbraw/zinc/62/86/97/386628697.db2.gz ZWBNPENHQOUNLI-LBPRGKRZSA-N 2 0 248.370 1.879 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414810352 386629514 /nfs/dbraw/zinc/62/95/14/386629514.db2.gz VGPYSMTYPZGKIO-AVGNSLFASA-N 3 0 225.380 1.093 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415133655 386639275 /nfs/dbraw/zinc/63/92/75/386639275.db2.gz VJKZKSDNOFIHRZ-XQQFMLRXSA-N 2 0 227.396 1.277 20 0 BDADRP COC1CCC([NH2+][C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000414803264 386600022 /nfs/dbraw/zinc/60/00/22/386600022.db2.gz NLCXHUVRXKGLRB-YWPUVAFDSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@@H]([NH2+]CCC[NH3+])c1cccc(-n2cccn2)c1 ZINC000415082397 386600290 /nfs/dbraw/zinc/60/02/90/386600290.db2.gz LYUBNYBFPWYITC-GFCCVEGCSA-N 2 0 244.342 1.872 20 0 BDADRP CC[C@@H]([NH2+]CCC[NH3+])c1c(C)noc1C ZINC000415085706 386605793 /nfs/dbraw/zinc/60/57/93/386605793.db2.gz IQUYITIZFBCOKH-SNVBAGLBSA-N 2 0 211.309 1.681 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+]C[C@H]([NH3+])CC(C)C ZINC000415087313 386606793 /nfs/dbraw/zinc/60/67/93/386606793.db2.gz SSKSESSZZWLDSH-CHWSQXEVSA-N 2 0 230.396 1.747 20 0 BDADRP C([NH2+][C@H]1CCC12CCC2)[C@H]1C[NH2+]CCCO1 ZINC000335489390 386607609 /nfs/dbraw/zinc/60/76/09/386607609.db2.gz VLJHLKIBNXEJSO-NEPJUHHUSA-N 2 0 224.348 1.287 20 0 BDADRP CSC[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000336645851 386608257 /nfs/dbraw/zinc/60/82/57/386608257.db2.gz ZWZVWSMSQFESBG-VHSXEESVSA-N 2 0 204.383 1.845 20 0 BDADRP Cc1c(C[NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)cnn1C ZINC000415099665 386608578 /nfs/dbraw/zinc/60/85/78/386608578.db2.gz GXUFGXHQKZAUEH-ZYHUDNBSSA-N 2 0 236.363 1.206 20 0 BDADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)C1CCOCC1 ZINC000415093231 386612516 /nfs/dbraw/zinc/61/25/16/386612516.db2.gz UUNIPZKUVZDQST-OBJOEFQTSA-N 2 0 240.391 1.779 20 0 BDADRP COC(=O)C1(C[NH2+][C@H](C)C[C@H]2CCC[NH2+]2)CC1 ZINC000415108897 386617489 /nfs/dbraw/zinc/61/74/89/386617489.db2.gz QVMYYOFKQKJCCW-GHMZBOCLSA-N 2 0 240.347 1.060 20 0 BDADRP CN(Cc1ccnn1C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000041078974 386661602 /nfs/dbraw/zinc/66/16/02/386661602.db2.gz LLDXYZZIMFVLCT-QYJAPNMZSA-N 2 0 234.347 1.135 20 0 BDADRP CC1(C)COC[C@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000335525323 386668474 /nfs/dbraw/zinc/66/84/74/386668474.db2.gz IVGUDTLSFOADGZ-HTAVTVPLSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H]1CCC[NH2+]1 ZINC000414820792 386675031 /nfs/dbraw/zinc/67/50/31/386675031.db2.gz BEDISVKBNQSVFP-MGPQQGTHSA-N 2 0 239.407 1.639 20 0 BDADRP Cc1ccc(O)c(C[NH2+]CC[C@H]2CC[NH2+]C2)n1 ZINC000414831292 386708933 /nfs/dbraw/zinc/70/89/33/386708933.db2.gz NATFKMGRYKKYRG-LLVKDONJSA-N 2 0 235.331 1.185 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+]C[C@H]2CCC[NH2+]C2)CCO1 ZINC000414831097 386708970 /nfs/dbraw/zinc/70/89/70/386708970.db2.gz PMYCZCLQALARBV-HZSPNIEDSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@H](C[NH3+])N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000414926990 386685617 /nfs/dbraw/zinc/68/56/17/386685617.db2.gz KODUQBAEAAICHC-UMVBOHGHSA-N 2 0 247.386 1.759 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+]CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000414826605 386689081 /nfs/dbraw/zinc/68/90/81/386689081.db2.gz FUGPCZSGIRZGBZ-BFHYXJOUSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)[C@@H]1CCC[NH2+]C1 ZINC000414825349 386690298 /nfs/dbraw/zinc/69/02/98/386690298.db2.gz SHIVCJFWSCPXNM-NELGMTEASA-N 3 0 239.407 1.482 20 0 BDADRP CCn1ccnc1CN1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000335532657 386693734 /nfs/dbraw/zinc/69/37/34/386693734.db2.gz YQOSLQWNUFKDCY-QWHCGFSZSA-N 2 0 248.374 1.429 20 0 BDADRP CCOC(=O)CCCC[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000520604818 386703174 /nfs/dbraw/zinc/70/31/74/386703174.db2.gz YVXCUWWQPXFQCO-VXGBXAGGSA-N 2 0 242.363 1.531 20 0 BDADRP CC[C@H](COC)[NH2+][C@H](CN)C1CCCCC1 ZINC000414830347 386707489 /nfs/dbraw/zinc/70/74/89/386707489.db2.gz AYFJCNCDVDTRLG-CHWSQXEVSA-N 2 0 228.380 1.909 20 0 BDADRP CO[C@@]1(C)C[C@@H]([N@H+](C)CCOCC[NH3+])C1(C)C ZINC000357080468 386708471 /nfs/dbraw/zinc/70/84/71/386708471.db2.gz MIWHJIDWNDBMTM-YPMHNXCESA-N 2 0 244.379 1.097 20 0 BDADRP C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1CCOCC[NH3+] ZINC000357069956 386712548 /nfs/dbraw/zinc/71/25/48/386712548.db2.gz IDUIBVMIEAKXKU-HIFRSBDPSA-N 2 0 248.370 1.840 20 0 BDADRP Cc1ccc(CCCN2C[C@H](C)[C@H]([NH3+])C2)cn1 ZINC000340690326 386715730 /nfs/dbraw/zinc/71/57/30/386715730.db2.gz KZVFFXKSFQVWME-SMDDNHRTSA-N 2 0 233.359 1.602 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1cnc2c(C)cccn12 ZINC000414832121 386716892 /nfs/dbraw/zinc/71/68/92/386716892.db2.gz DTQOQNQBYWHZHK-LLVKDONJSA-N 2 0 246.358 1.588 20 0 BDADRP C[NH2+]CCN[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000414832001 386718279 /nfs/dbraw/zinc/71/82/79/386718279.db2.gz QNEACCHZDQEMGV-HIFRSBDPSA-N 2 0 247.386 1.316 20 0 BDADRP Cc1n[nH]cc1C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335543115 386728093 /nfs/dbraw/zinc/72/80/93/386728093.db2.gz JJZWFOCITFNHKX-NSHDSACASA-N 2 0 248.374 1.682 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647784487 386759037 /nfs/dbraw/zinc/75/90/37/386759037.db2.gz WJCCHWJFJZQDBH-RYMFRWLXSA-N 2 0 240.391 1.371 20 0 BDADRP Cc1c(C[NH2+]CC[C@@H]2CCC[NH2+]C2)cnn1C ZINC000414844095 386761944 /nfs/dbraw/zinc/76/19/44/386761944.db2.gz RAHCQHNBHMMEAS-LBPRGKRZSA-N 2 0 236.363 1.208 20 0 BDADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000417830483 386790897 /nfs/dbraw/zinc/79/08/97/386790897.db2.gz HCAUOPUSKQGHDQ-WDEREUQCSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCCCCO)CN1C1CC1 ZINC000192906955 386791966 /nfs/dbraw/zinc/79/19/66/386791966.db2.gz ZZJKICWLZVDBEZ-VXGBXAGGSA-N 2 0 226.364 1.364 20 0 BDADRP CN(CC[NH3+])C(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000417836318 386795280 /nfs/dbraw/zinc/79/52/80/386795280.db2.gz LLXNCIPZRIBXNM-LBPRGKRZSA-N 2 0 249.358 1.130 20 0 BDADRP C[NH+](C)CCSC[C@@H]1CC[N@H+](C)C1 ZINC000191174149 386770400 /nfs/dbraw/zinc/77/04/00/386770400.db2.gz MZCAZRGIZDKWHM-SNVBAGLBSA-N 2 0 202.367 1.233 20 0 BDADRP Cc1nnc(CN2CCC[C@@H](c3ncc[nH]3)C2)[nH]1 ZINC000293092082 386777102 /nfs/dbraw/zinc/77/71/02/386777102.db2.gz INVBQZMPMZXFRU-SNVBAGLBSA-N 2 0 246.318 1.216 20 0 BDADRP Cc1n[nH]cc1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414844663 386782428 /nfs/dbraw/zinc/78/24/28/386782428.db2.gz DYSRFSPUCPSOEJ-LLVKDONJSA-N 2 0 222.336 1.197 20 0 BDADRP Cc1sccc1C[NH2+]CCOCC[NH+](C)C ZINC000336672467 386823408 /nfs/dbraw/zinc/82/34/08/386823408.db2.gz STFIZPBAARWDQX-UHFFFAOYSA-N 2 0 242.388 1.724 20 0 BDADRP C[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000417858239 386804082 /nfs/dbraw/zinc/80/40/82/386804082.db2.gz UWAKKMFHLQMCNF-UTUOFQBUSA-N 2 0 241.379 1.008 20 0 BDADRP C([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)[C@@H]1CCC[NH2+]1 ZINC000414846097 386810451 /nfs/dbraw/zinc/81/04/51/386810451.db2.gz NADDWAFESZCCTR-WUHRBBMRSA-N 2 0 236.359 1.286 20 0 BDADRP CC[C@@H](CO)[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000093488555 386833180 /nfs/dbraw/zinc/83/31/80/386833180.db2.gz PUXUXUZWSPHCIN-RFQIPJPRSA-N 2 0 240.391 1.658 20 0 BDADRP c1ccc2c(c1)CC[C@@H]([NH2+]C1CC[NH2+]CC1)C2 ZINC000051631063 386834930 /nfs/dbraw/zinc/83/49/30/386834930.db2.gz PJNFIJJDTKSKLA-OAHLLOKOSA-N 2 0 230.355 1.886 20 0 BDADRP C[C@H](C[NH2+][C@H]1CCOC1(C)C)C[NH+]1CCCC1 ZINC000328275051 386841584 /nfs/dbraw/zinc/84/15/84/386841584.db2.gz XMTGTWIUZOZKDS-OLZOCXBDSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000398595286 386850080 /nfs/dbraw/zinc/85/00/80/386850080.db2.gz WWGVOLFNSZWCTP-FRRDWIJNSA-N 2 0 228.380 1.645 20 0 BDADRP C1[C@@H]([NH2+]C2CCCC2)[C@@H]1C1CC[NH2+]CC1 ZINC000334833874 386872714 /nfs/dbraw/zinc/87/27/14/386872714.db2.gz UOZHLMRMRGKFTM-QWHCGFSZSA-N 2 0 208.349 1.907 20 0 BDADRP CC1CCC(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000334833265 386872787 /nfs/dbraw/zinc/87/27/87/386872787.db2.gz OEULBSAPFZBWRF-NGEZQELSSA-N 2 0 208.349 1.620 20 0 BDADRP Cc1c[nH]nc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000334840988 386887021 /nfs/dbraw/zinc/88/70/21/386887021.db2.gz FQYKHFLZASLMEC-CYBMUJFWSA-N 2 0 248.374 1.540 20 0 BDADRP C[C@@H]([NH2+]C1CC[NH2+]CC1)[C@@H]1COc2ccccc21 ZINC000334848846 386897007 /nfs/dbraw/zinc/89/70/07/386897007.db2.gz LVDLNYHEIKJFPG-RISCZKNCSA-N 2 0 246.354 1.893 20 0 BDADRP CC1(C)CCC[NH2+][C@@H]1CN[C@@H]1CCC[NH2+]CC1 ZINC000334865307 386922213 /nfs/dbraw/zinc/92/22/13/386922213.db2.gz SIVODXRWOJWLND-CHWSQXEVSA-N 2 0 239.407 1.496 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000398616915 386926459 /nfs/dbraw/zinc/92/64/59/386926459.db2.gz SPHQPHVFBSXHKP-FRRDWIJNSA-N 2 0 228.380 1.658 20 0 BDADRP C(C1CC1)[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000334867934 386926783 /nfs/dbraw/zinc/92/67/83/386926783.db2.gz GCUOVKSPYUMVSQ-CHWSQXEVSA-N 2 0 208.349 1.860 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC000161710647 386927713 /nfs/dbraw/zinc/92/77/13/386927713.db2.gz WIRHZSCSJUMNCP-WDEREUQCSA-N 2 0 205.305 1.251 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000331961679 386932956 /nfs/dbraw/zinc/93/29/56/386932956.db2.gz IMCSJODSFKIVSO-FBUXBERBSA-N 2 0 245.370 1.861 20 0 BDADRP CC1(C)CC[C@@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C1 ZINC000334873783 386935299 /nfs/dbraw/zinc/93/52/99/386935299.db2.gz JGXTUPOWYAWAMI-VXGBXAGGSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+]CC1([NH3+])CCCCC1 ZINC000334819889 386947766 /nfs/dbraw/zinc/94/77/66/386947766.db2.gz WBDMEWYOGMTBIK-QWRGUYRKSA-N 2 0 212.337 1.415 20 0 BDADRP C[C@H]1[C@@H]([NH3+])CCN1CCCC1CC[NH2+]CC1 ZINC000647966057 386942511 /nfs/dbraw/zinc/94/25/11/386942511.db2.gz FOAJWWMMFKWKRV-AAEUAGOBSA-N 3 0 225.380 1.188 20 0 BDADRP Cc1ccncc1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000162185775 386943414 /nfs/dbraw/zinc/94/34/14/386943414.db2.gz HAZAJAFZTPCXKB-VXGBXAGGSA-N 2 0 219.332 1.559 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2CCCCC[C@H]2[NH3+])CC[NH2+]1 ZINC000332238090 386968408 /nfs/dbraw/zinc/96/84/08/386968408.db2.gz HRTWHWUFFBMFNH-LPWJVIDDSA-N 2 0 225.380 1.377 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000332311261 386970359 /nfs/dbraw/zinc/97/03/59/386970359.db2.gz XMSGIUDCQXFOBD-MROQNXINSA-N 2 0 225.380 1.506 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000332311266 386972521 /nfs/dbraw/zinc/97/25/21/386972521.db2.gz XMSGIUDCQXFOBD-YVECIDJPSA-N 2 0 225.380 1.506 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)[C@@]1(CC)CC[NH2+]C1 ZINC000368565887 386988332 /nfs/dbraw/zinc/98/83/32/386988332.db2.gz DWVQFNVQTDHBLJ-LBPRGKRZSA-N 2 0 241.379 1.010 20 0 BDADRP C[NH+](C)CC1CC[NH+](CCc2cccnc2)CC1 ZINC000358927469 387033654 /nfs/dbraw/zinc/03/36/54/387033654.db2.gz QZCPVSKQNUFQOL-UHFFFAOYSA-N 2 0 247.386 1.898 20 0 BDADRP CCCC[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000369357922 387040750 /nfs/dbraw/zinc/04/07/50/387040750.db2.gz IUQKOMLHCLYNRI-AWEZNQCLSA-N 2 0 239.407 1.498 20 0 BDADRP CCC[C@@H]1C[NH2+]CCN1C[C@@H]1CCC[NH2+]C1 ZINC000359055231 387050808 /nfs/dbraw/zinc/05/08/08/387050808.db2.gz KMYGOUYKDFMSBS-CHWSQXEVSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@H]1C[N@H+](CCC2CC[NH2+]CC2)[C@@H](C)CN1C ZINC000334970286 387055055 /nfs/dbraw/zinc/05/50/55/387055055.db2.gz UGYMIWJZXYHQQT-STQMWFEESA-N 2 0 239.407 1.401 20 0 BDADRP C[C@H](O)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000228029656 387060771 /nfs/dbraw/zinc/06/07/71/387060771.db2.gz UKEFBGYLBQOZJU-WODVXLOZSA-N 2 0 226.364 1.362 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]CCC[C@H](C)O)CC1 ZINC000228039673 387061906 /nfs/dbraw/zinc/06/19/06/387061906.db2.gz ZDUBFTWCIKFROF-LBPRGKRZSA-N 2 0 228.380 1.610 20 0 BDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)CC[C@@H](C)[NH3+])C1 ZINC000070318084 387064836 /nfs/dbraw/zinc/06/48/36/387064836.db2.gz SVKIYURVVZBEKP-VXGBXAGGSA-N 2 0 241.379 1.057 20 0 BDADRP C[C@@H]([NH2+]CCCC(C)(C)CO)[C@H]1CCCC[NH2+]1 ZINC000393425025 259703530 /nfs/dbraw/zinc/70/35/30/259703530.db2.gz LMMAULJKZPHUJN-CHWSQXEVSA-N 2 0 242.407 1.905 20 0 BDADRP C[C@H]1C[C@@H](C[N@@H+]2CCOCC23CC3)CC[NH2+]1 ZINC000334882508 387025326 /nfs/dbraw/zinc/02/53/26/387025326.db2.gz NCAWYJSZACMHER-RYUDHWBXSA-N 2 0 224.348 1.239 20 0 BDADRP CCCC[N@H+](CCO)CCC1CC[NH2+]CC1 ZINC000359224942 387070379 /nfs/dbraw/zinc/07/03/79/387070379.db2.gz UJBOHGCIFJNMPL-UHFFFAOYSA-N 2 0 228.380 1.471 20 0 BDADRP C(C[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CCC[NH2+]C1 ZINC000085540494 387070413 /nfs/dbraw/zinc/07/04/13/387070413.db2.gz DGLIUSZWRAOTAA-UPJWGTAASA-N 2 0 224.348 1.239 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)[C@@H]1CCCC[NH2+]1 ZINC000333883489 387071226 /nfs/dbraw/zinc/07/12/26/387071226.db2.gz WRMJQEVCFCZWLT-RNJOBUHISA-N 3 0 225.380 1.234 20 0 BDADRP FC(F)COCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000188769505 387080807 /nfs/dbraw/zinc/08/08/07/387080807.db2.gz ZKVVTZIVFIKGFA-GHMZBOCLSA-N 2 0 248.317 1.485 20 0 BDADRP Cc1nccn1CC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000228337572 387083047 /nfs/dbraw/zinc/08/30/47/387083047.db2.gz QBKNZEFZMHJDCV-YPMHNXCESA-N 2 0 236.363 1.121 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H](CO)CC(C)(C)C ZINC000393520349 259705496 /nfs/dbraw/zinc/70/54/96/259705496.db2.gz OSHWAGJLGFIJLQ-RYUDHWBXSA-N 2 0 246.395 1.127 20 0 BDADRP C(C[NH+]1CCC2(CC[NH2+]C2)CC1)[C@@H]1CCCO1 ZINC000334997887 387091053 /nfs/dbraw/zinc/09/10/53/387091053.db2.gz XPJJNRKBECGRNQ-ZDUSSCGKSA-N 2 0 238.375 1.631 20 0 BDADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CN[C@H]1CC[NH2+]C1 ZINC000335008954 387102600 /nfs/dbraw/zinc/10/26/00/387102600.db2.gz FKCJYXLMGBBTFM-RYUDHWBXSA-N 2 0 225.380 1.058 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCCF)C[C@H]21 ZINC000228546804 387103179 /nfs/dbraw/zinc/10/31/79/387103179.db2.gz TULZYEMYDRUIAB-GMTAPVOTSA-N 2 0 200.301 1.405 20 0 BDADRP Cc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)nc1 ZINC000336277647 387109286 /nfs/dbraw/zinc/10/92/86/387109286.db2.gz PSMCGPSKFKJAOD-UHFFFAOYSA-N 2 0 245.370 1.966 20 0 BDADRP [NH3+]C1(C[NH2+][C@H]2CCCC23CCOCC3)CCC1 ZINC000335026754 387118208 /nfs/dbraw/zinc/11/82/08/387118208.db2.gz YUTJBEUYUFJTST-LBPRGKRZSA-N 2 0 238.375 1.807 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000423299560 387129258 /nfs/dbraw/zinc/12/92/58/387129258.db2.gz BWLUQMDQUOIPMN-IUCAKERBSA-N 2 0 211.284 1.466 20 0 BDADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1CCC[NH2+]C1 ZINC000423306393 387142269 /nfs/dbraw/zinc/14/22/69/387142269.db2.gz SSCGBXDQFOZERN-VHDGCEQUSA-N 2 0 247.386 1.287 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@H]1CCc2ccccc2OC1 ZINC000423311234 387149338 /nfs/dbraw/zinc/14/93/38/387149338.db2.gz TVCDMWAVVJKTAJ-AAEUAGOBSA-N 2 0 234.343 1.565 20 0 BDADRP COC[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)C1CCCC1 ZINC000423314207 387154179 /nfs/dbraw/zinc/15/41/79/387154179.db2.gz GUJXGEHLDCFRTB-QWHCGFSZSA-N 2 0 226.364 1.519 20 0 BDADRP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH3+])cc1 ZINC000423314372 387155310 /nfs/dbraw/zinc/15/53/10/387155310.db2.gz YKBGVGUHMKRDSN-QWRGUYRKSA-N 2 0 249.358 1.890 20 0 BDADRP [NH3+][C@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)C1CC1 ZINC000423321197 387161822 /nfs/dbraw/zinc/16/18/22/387161822.db2.gz MZTXKRQNDJWUAF-FVCCEPFGSA-N 2 0 236.359 1.271 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]2C2CC2)CC[NH2+]1 ZINC000423374079 387193700 /nfs/dbraw/zinc/19/37/00/387193700.db2.gz HQFFHRKZUINGCO-FOUMNBMASA-N 2 0 208.349 1.905 20 0 BDADRP FCCC[C@H]1CCC[C@@H]1[NH2+]CC1C[NH2+]C1 ZINC000423333938 387180119 /nfs/dbraw/zinc/18/01/19/387180119.db2.gz WKZIMHMATFUWDN-NEPJUHHUSA-N 2 0 214.328 1.714 20 0 BDADRP COCCC[C@H](C)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423337264 387185182 /nfs/dbraw/zinc/18/51/82/387185182.db2.gz UBXRENGMJGCZCI-QWHCGFSZSA-N 2 0 228.380 1.781 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2=CC[NH2+]CC2)[C@H](C)O1 ZINC000423340009 387187721 /nfs/dbraw/zinc/18/77/21/387187721.db2.gz BTNNHBZUJAWFRE-SCVCMEIPSA-N 2 0 210.321 1.062 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCOC(F)(F)F ZINC000229604962 387188106 /nfs/dbraw/zinc/18/81/06/387188106.db2.gz YDXQNUHJVIDENL-BDAKNGLRSA-N 2 0 240.269 1.453 20 0 BDADRP CO[C@@H](C)[C@@H](C)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423340979 387190274 /nfs/dbraw/zinc/19/02/74/387190274.db2.gz WELWUZDOTPUPBJ-MNOVXSKESA-N 2 0 214.353 1.389 20 0 BDADRP CCCC[C@@H](C[NH3+])NC1CC[NH+](C2CC2)CC1 ZINC000423301156 387132717 /nfs/dbraw/zinc/13/27/17/387132717.db2.gz SPVPPCNXSZBHAW-ZDUSSCGKSA-N 2 0 239.407 1.720 20 0 BDADRP CCc1cccnc1[C@@H](C)[NH2+]C[C@H](C)C[NH3+] ZINC000423301775 387135307 /nfs/dbraw/zinc/13/53/07/387135307.db2.gz GKKNGCFFXQFZJH-GHMZBOCLSA-N 2 0 221.348 1.889 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@@H]1CCc2c1cccc2F ZINC000423303337 387136471 /nfs/dbraw/zinc/13/64/71/387136471.db2.gz WWPWIQGIIXTGJH-TVQRCGJNSA-N 2 0 222.307 1.997 20 0 BDADRP C[NH+](C)[C@@H]1CCC[N@H+](CCC(C)(C)O)CC1 ZINC000370696629 387137147 /nfs/dbraw/zinc/13/71/47/387137147.db2.gz GXVPVKLIQNXRFK-GFCCVEGCSA-N 2 0 228.380 1.564 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000423303149 387137323 /nfs/dbraw/zinc/13/73/23/387137323.db2.gz WORDDWMJNZKOHN-QWRGUYRKSA-N 2 0 222.332 1.424 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]CC2C[NH2+]C2)C12CCC2 ZINC000423303617 387137530 /nfs/dbraw/zinc/13/75/30/387137530.db2.gz MCIIPDGOEIUZDO-NWDGAFQWSA-N 2 0 224.348 1.143 20 0 BDADRP CC[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)[C@@H]1CCOC1 ZINC000423355067 387205752 /nfs/dbraw/zinc/20/57/52/387205752.db2.gz DUBSOVBEYQFQJE-JHJVBQTASA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[NH2+]2)[C@H](C)O1 ZINC000423356216 387208582 /nfs/dbraw/zinc/20/85/82/387208582.db2.gz JPAJQDISIGUYAO-KXNHARMFSA-N 2 0 212.337 1.284 20 0 BDADRP CC[C@@H](NCC[C@H]1CCC[NH2+]1)[C@H]1CCCC[NH2+]1 ZINC000423355937 387208825 /nfs/dbraw/zinc/20/88/25/387208825.db2.gz JCZMPKLPPGAYHM-MGPQQGTHSA-N 2 0 239.407 1.639 20 0 BDADRP C[C@@H](N[C@@H]1CC[NH2+]C[C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000423361733 387213740 /nfs/dbraw/zinc/21/37/40/387213740.db2.gz APCXISZEXJSPGI-FDYHWXHSSA-N 2 0 225.380 1.105 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353504587 387218554 /nfs/dbraw/zinc/21/85/54/387218554.db2.gz SBONQPMAPHVPOE-DGAVXFQQSA-N 2 0 240.391 1.610 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000423366940 387219334 /nfs/dbraw/zinc/21/93/34/387219334.db2.gz LXTVPSSKSBTJJR-CYDGBPFRSA-N 3 0 225.380 1.363 20 0 BDADRP C[NH+](C)CCOCC[NH2+]Cc1cccc(F)c1 ZINC000230004594 387222363 /nfs/dbraw/zinc/22/23/63/387222363.db2.gz LTGLEGWKWXIHMG-UHFFFAOYSA-N 2 0 240.322 1.494 20 0 BDADRP CC[NH2+][C@H](C)CN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423373393 387228376 /nfs/dbraw/zinc/22/83/76/387228376.db2.gz BSVXONJRXQSNLA-GRYCIOLGSA-N 2 0 213.369 1.234 20 0 BDADRP C[C@H]([NH3+])CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000336406213 387235549 /nfs/dbraw/zinc/23/55/49/387235549.db2.gz LDTIYDRPIXYRLI-LBPRGKRZSA-N 2 0 225.380 1.284 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000336410452 387239109 /nfs/dbraw/zinc/23/91/09/387239109.db2.gz DEUODDCTJJCSQY-GWCFXTLKSA-N 2 0 244.342 1.732 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CCO1 ZINC000423423062 387251042 /nfs/dbraw/zinc/25/10/42/387251042.db2.gz LUCZFSJMIVUHOU-XUXIUFHCSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423427125 387251962 /nfs/dbraw/zinc/25/19/62/387251962.db2.gz IEIXUYWTQBLZTN-FRRDWIJNSA-N 3 0 227.396 1.624 20 0 BDADRP CC[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)[C@H]1CCOC1 ZINC000423344847 387195632 /nfs/dbraw/zinc/19/56/32/387195632.db2.gz YJEOUFFQSKKICF-IHRRRGAJSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1cccc(CO)c1 ZINC000423347029 387197871 /nfs/dbraw/zinc/19/78/71/387197871.db2.gz PXMGAXIWAYQPFD-GFCCVEGCSA-N 2 0 246.354 1.749 20 0 BDADRP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)[C@@H]1CCCOC1 ZINC000423349279 387200828 /nfs/dbraw/zinc/20/08/28/387200828.db2.gz VICIJDDWJJEKIW-MJBXVCDLSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)[C@H]1CCCC[NH2+]1 ZINC000423465978 387312686 /nfs/dbraw/zinc/31/26/86/387312686.db2.gz AGTITRPOTRULHB-MGPQQGTHSA-N 3 0 239.407 1.639 20 0 BDADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)[C@@H]1C[C@H]1C ZINC000321915863 387316068 /nfs/dbraw/zinc/31/60/68/387316068.db2.gz QKOULFNNTBUUHT-IJLUTSLNSA-N 2 0 214.353 1.199 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000423429025 387254529 /nfs/dbraw/zinc/25/45/29/387254529.db2.gz JVRVXTYQRSEFEN-DOERSZECSA-N 3 0 237.391 1.105 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCN[C@@H]1C ZINC000423375410 387256226 /nfs/dbraw/zinc/25/62/26/387256226.db2.gz KLBRVTFKLAYQQX-IJLUTSLNSA-N 2 0 213.369 1.234 20 0 BDADRP C[C@@H](C[NH3+])N[C@@H]1CCc2cc(F)ccc21 ZINC000423380365 387262812 /nfs/dbraw/zinc/26/28/12/387262812.db2.gz YNBRQERSZDUVFZ-QPUJVOFHSA-N 2 0 208.280 1.750 20 0 BDADRP CO[C@H](C)[C@@H](C)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000423381202 387263672 /nfs/dbraw/zinc/26/36/72/387263672.db2.gz HUWISPHXPYPVFV-UTUOFQBUSA-N 2 0 228.380 1.778 20 0 BDADRP CCC[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC000423468844 387317337 /nfs/dbraw/zinc/31/73/37/387317337.db2.gz VBFODAQQZMUEAU-UHFFFAOYSA-N 2 0 246.314 1.064 20 0 BDADRP Cc1cc(C[NH+](C)C)cc(NC(=O)C2([NH3+])CC2)c1 ZINC000353765102 387269592 /nfs/dbraw/zinc/26/95/92/387269592.db2.gz GFDMXZDEJCOMAN-UHFFFAOYSA-N 2 0 247.342 1.486 20 0 BDADRP COC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)C1CCCC1 ZINC000423386499 387270179 /nfs/dbraw/zinc/27/01/79/387270179.db2.gz SAGLCSGRKJQSJA-UBHSHLNASA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC000423468918 387317543 /nfs/dbraw/zinc/31/75/43/387317543.db2.gz JYMYRUJHCYLQBA-AAVRWANBSA-N 2 0 239.407 1.576 20 0 BDADRP CC[C@H](N[C@H]1CC[NH2+]C[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423394652 387281024 /nfs/dbraw/zinc/28/10/24/387281024.db2.gz MVXCRJPCTDMTPG-VOAKCMCISA-N 2 0 225.380 1.105 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+][C@H]1CCC[C@H]1CCOC ZINC000423395392 387281118 /nfs/dbraw/zinc/28/11/18/387281118.db2.gz SMGUWFLZVZJPCV-AGIUHOORSA-N 2 0 228.380 1.779 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCC[C@H]1CCOC ZINC000423395393 387282124 /nfs/dbraw/zinc/28/21/24/387282124.db2.gz SMGUWFLZVZJPCV-FRRDWIJNSA-N 2 0 228.380 1.779 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000423431998 387284634 /nfs/dbraw/zinc/28/46/34/387284634.db2.gz MECGEOXRCYJBGP-UPJWGTAASA-N 3 0 227.396 1.754 20 0 BDADRP COC[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)C(C)C ZINC000423434270 387285497 /nfs/dbraw/zinc/28/54/97/387285497.db2.gz KJNCHUIDBMIGPL-MJBXVCDLSA-N 2 0 240.391 1.635 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@H]1CCCO1 ZINC000423438183 387288807 /nfs/dbraw/zinc/28/88/07/387288807.db2.gz MSFDPLSEZKFWND-SCUASFONSA-N 2 0 238.375 1.532 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000423480457 387291543 /nfs/dbraw/zinc/29/15/43/387291543.db2.gz VZZNYEZWONBVAB-TUAOUCFPSA-N 2 0 228.380 1.905 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1NC[C@H]1[NH2+]CCc2ccccc21 ZINC000423443324 387292415 /nfs/dbraw/zinc/29/24/15/387292415.db2.gz WYNSXBLWKGHEFA-QLFBSQMISA-N 2 0 245.370 1.343 20 0 BDADRP CCC1(CC)[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])C[C@@H]1OC ZINC000423442802 387292835 /nfs/dbraw/zinc/29/28/35/387292835.db2.gz KBKWNZFNMBBXEF-KKOKHZNYSA-N 2 0 228.380 1.905 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000423447545 387296516 /nfs/dbraw/zinc/29/65/16/387296516.db2.gz ZVCULGLTHOOHBB-SLEUVZQESA-N 2 0 247.386 1.589 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])C1(C(=O)OC)CCC1 ZINC000423448580 387298406 /nfs/dbraw/zinc/29/84/06/387298406.db2.gz QOMNURWSOALHDO-DCAQKATOSA-N 2 0 242.363 1.434 20 0 BDADRP CCOC[C@@H]1CCC[C@H]1[NH2+]C1CCN(C)CC1 ZINC000353924379 387299043 /nfs/dbraw/zinc/29/90/43/387299043.db2.gz BWUAVFRLTQPOED-GXTWGEPZSA-N 2 0 240.391 1.875 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C12CCC2 ZINC000423456274 387303412 /nfs/dbraw/zinc/30/34/12/387303412.db2.gz NRQXUAOXEBDKDJ-FPYNETTCSA-N 2 0 236.359 1.142 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@H]1CCc2ccccc2OC1 ZINC000423459344 387306340 /nfs/dbraw/zinc/30/63/40/387306340.db2.gz HTRPFFBVUBUGSI-OLZOCXBDSA-N 2 0 234.343 1.707 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCCC[NH2+]1 ZINC000423459911 387308398 /nfs/dbraw/zinc/30/83/98/387308398.db2.gz AHSYPFYPJULYFM-CRWXNKLISA-N 3 0 239.407 1.624 20 0 BDADRP Cc1cc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)on1 ZINC000353997169 387308574 /nfs/dbraw/zinc/30/85/74/387308574.db2.gz QMPAYROBLSJJCW-NWDGAFQWSA-N 2 0 237.347 1.598 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)C1CCCC1 ZINC000423525649 387355619 /nfs/dbraw/zinc/35/56/19/387355619.db2.gz UNOLECPXQGFREP-DGCLKSJQSA-N 2 0 226.364 1.533 20 0 BDADRP CC[N@H+]1C[C@H](NCCC[NH2+]C2CC2)[C@@H](C)C1 ZINC000423523331 387356487 /nfs/dbraw/zinc/35/64/87/387356487.db2.gz IFZIYQWFGMNSIW-AAEUAGOBSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@H](CCC[NH3+])[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423531614 387359127 /nfs/dbraw/zinc/35/91/27/387359127.db2.gz YFWZPPMBROHNOF-IJLUTSLNSA-N 3 0 213.369 1.031 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000423481546 387362947 /nfs/dbraw/zinc/36/29/47/387362947.db2.gz WVPXGTNHHCKIJT-NNYUYHANSA-N 2 0 226.364 1.517 20 0 BDADRP CC[C@@H](COC)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423536937 387362992 /nfs/dbraw/zinc/36/29/92/387362992.db2.gz IRNMSVKJMVUCAW-LBPRGKRZSA-N 2 0 212.337 1.311 20 0 BDADRP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423538185 387363882 /nfs/dbraw/zinc/36/38/82/387363882.db2.gz MERJPZRIUSPJRD-WFASDCNBSA-N 2 0 249.402 1.369 20 0 BDADRP Cc1cc(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)ccn1 ZINC000336540267 387364390 /nfs/dbraw/zinc/36/43/90/387364390.db2.gz LZDIMDGZUSOXEE-VXGBXAGGSA-N 2 0 247.342 1.623 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423539738 387365265 /nfs/dbraw/zinc/36/52/65/387365265.db2.gz PFGYDDUYAVCYFA-JSGCOSHPSA-N 3 0 237.391 1.274 20 0 BDADRP CC[N@H+](CCN[C@@H]1CC[NH+](C)C[C@H]1C)C(C)C ZINC000360916684 387366124 /nfs/dbraw/zinc/36/61/24/387366124.db2.gz AOGZLUFJDPEYAS-ZIAGYGMSSA-N 2 0 241.423 1.647 20 0 BDADRP CC[C@@H]([NH2+]CCC1=CC[NH2+]CC1)[C@@H]1CCOC1 ZINC000423542830 387368002 /nfs/dbraw/zinc/36/80/02/387368002.db2.gz UIPIBBWHCYAMNE-ZIAGYGMSSA-N 2 0 238.375 1.701 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)CCO1 ZINC000423558958 387375837 /nfs/dbraw/zinc/37/58/37/387375837.db2.gz SRLQHKVISLVIHH-WUHRBBMRSA-N 2 0 226.364 1.674 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1CCCC[NH2+]C1 ZINC000423566311 387376762 /nfs/dbraw/zinc/37/67/62/387376762.db2.gz UBUYHDUNTBABQD-BZPMIXESSA-N 2 0 237.391 1.201 20 0 BDADRP CC[C@H]([NH3+])CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423472938 387319545 /nfs/dbraw/zinc/31/95/45/387319545.db2.gz QLDZVZWSNNVZIZ-XDQVBPFNSA-N 2 0 239.407 1.624 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000423475179 387321249 /nfs/dbraw/zinc/32/12/49/387321249.db2.gz RSMAMGGZIVFPCY-LOWDOPEQSA-N 2 0 238.375 1.661 20 0 BDADRP CCN1C[C@H](C)[C@H]([NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000423474440 387321304 /nfs/dbraw/zinc/32/13/04/387321304.db2.gz OVLVXCATIQOQAY-IGQOVBAYSA-N 2 0 239.407 1.434 20 0 BDADRP CCN1C[C@H](C)[C@H]([NH2+]C[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000423474446 387322093 /nfs/dbraw/zinc/32/20/93/387322093.db2.gz OVLVXCATIQOQAY-XDQVBPFNSA-N 2 0 239.407 1.434 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000643462767 387322476 /nfs/dbraw/zinc/32/24/76/387322476.db2.gz LBHJWBZPUBIVIB-DMDPSCGWSA-N 2 0 225.380 1.186 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000423476734 387323750 /nfs/dbraw/zinc/32/37/50/387323750.db2.gz RDMLHFQCLZRNHB-AGIUHOORSA-N 3 0 227.396 1.611 20 0 BDADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CCc2ccccc2OC1 ZINC000423486551 387330797 /nfs/dbraw/zinc/33/07/97/387330797.db2.gz ZOCVAPBKZLGSAU-GVXVVHGQSA-N 2 0 234.343 1.706 20 0 BDADRP Cc1nccnc1[C@@H](C)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423485416 387331848 /nfs/dbraw/zinc/33/18/48/387331848.db2.gz ROAAOUPCAGVDHR-YPMHNXCESA-N 2 0 248.374 1.968 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2C[C@@H]2C)C1 ZINC000321957017 387333836 /nfs/dbraw/zinc/33/38/36/387333836.db2.gz XXFGLYWWJITQGQ-UMSGYPCISA-N 2 0 210.365 1.962 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccncc1F ZINC000423500177 387340603 /nfs/dbraw/zinc/34/06/03/387340603.db2.gz IHGZHRYHYHYMRX-DCAQKATOSA-N 2 0 237.322 1.999 20 0 BDADRP CCc1ccccc1[C@H]([NH3+])CN[C@H]1CCC[C@H]1[NH3+] ZINC000423499721 387341126 /nfs/dbraw/zinc/34/11/26/387341126.db2.gz JLHZHZOOFUOTKC-KFWWJZLASA-N 2 0 247.386 1.718 20 0 BDADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000423506816 387344960 /nfs/dbraw/zinc/34/49/60/387344960.db2.gz PMSZOCGDTYHYOM-FPMFFAJLSA-N 2 0 239.407 1.434 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C1 ZINC000643500763 387345176 /nfs/dbraw/zinc/34/51/76/387345176.db2.gz CCJWWBDROXJGQS-JHJVBQTASA-N 2 0 226.364 1.533 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)C1 ZINC000643500764 387345209 /nfs/dbraw/zinc/34/52/09/387345209.db2.gz CCJWWBDROXJGQS-RWMBFGLXSA-N 2 0 226.364 1.533 20 0 BDADRP Cn1ccnc1N1CC[NH+](CC2CCCC2)CC1 ZINC000336523259 387348250 /nfs/dbraw/zinc/34/82/50/387348250.db2.gz UUOWGRWFDAWXAS-UHFFFAOYSA-N 2 0 248.374 1.732 20 0 BDADRP C[C@@H](N[C@@H](C[NH3+])C1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000423517412 387350474 /nfs/dbraw/zinc/35/04/74/387350474.db2.gz YQFVVHOYYZGFHA-WXHSDQCUSA-N 2 0 225.380 1.234 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000643469344 387427254 /nfs/dbraw/zinc/42/72/54/387427254.db2.gz LZCDFBPHJZYVAS-QWRGUYRKSA-N 2 0 245.330 1.805 20 0 BDADRP C(C1CC1)[N@H+]1C[C@H]2[C@H](C[NH+]3CCCC[C@@H]23)C1 ZINC000361303306 387435992 /nfs/dbraw/zinc/43/59/92/387435992.db2.gz HSSLLSURFGAWNQ-IHRRRGAJSA-N 2 0 220.360 1.813 20 0 BDADRP CC[C@@H]([NH3+])C(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000037804632 387437391 /nfs/dbraw/zinc/43/73/91/387437391.db2.gz LWZYDTFZFPEKRE-GFCCVEGCSA-N 2 0 241.379 1.055 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCCOC1 ZINC000084216849 387441344 /nfs/dbraw/zinc/44/13/44/387441344.db2.gz UYEUDUSAUCFYEM-IJLUTSLNSA-N 2 0 212.337 1.273 20 0 BDADRP C([NH2+][C@@H]1CCC12CCOCC2)[C@@H]1CCC[NH2+]1 ZINC000643505787 387456126 /nfs/dbraw/zinc/45/61/26/387456126.db2.gz PAWXKVOONQLSFH-NWDGAFQWSA-N 2 0 224.348 1.287 20 0 BDADRP CC(C)[C@H](Cn1cccn1)[NH2+]CCCC[NH3+] ZINC000304299845 387458787 /nfs/dbraw/zinc/45/87/87/387458787.db2.gz HQONKCSNCRCPKY-LBPRGKRZSA-N 2 0 224.352 1.236 20 0 BDADRP CC[NH2+]CCC[NH2+][C@H](COC)C1CCCC1 ZINC000515634021 387403614 /nfs/dbraw/zinc/40/36/14/387403614.db2.gz CXLWDTOGYMSFPZ-CYBMUJFWSA-N 2 0 228.380 1.781 20 0 BDADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H]2CC[NH2+]2)c1 ZINC000423776335 387422031 /nfs/dbraw/zinc/42/20/31/387422031.db2.gz ASRWRCICEVTSAP-CYBMUJFWSA-N 2 0 247.342 1.357 20 0 BDADRP CC[N@H+](CC[C@H]1CCC[NH+]1C)C[C@H](C)OC ZINC000361572277 387498360 /nfs/dbraw/zinc/49/83/60/387498360.db2.gz CQFMPVWHRJDCCV-QWHCGFSZSA-N 2 0 228.380 1.828 20 0 BDADRP [NH3+]C1(CN[C@@H]2CCC[NH2+]CC2)CCCCCC1 ZINC000572463932 387515691 /nfs/dbraw/zinc/51/56/91/387515691.db2.gz AWIAYRWRFBBWIX-CYBMUJFWSA-N 2 0 239.407 1.770 20 0 BDADRP CC[C@@H]([NH2+]CCC[NH+]1CCCC1)[C@@H]1CCOC1 ZINC000310228288 387536594 /nfs/dbraw/zinc/53/65/94/387536594.db2.gz OKOARCCEFWFVJW-ZIAGYGMSSA-N 2 0 240.391 1.877 20 0 BDADRP C[NH+](C)CC1CC[NH+](CC2(F)CC2)CC1 ZINC000527218202 387537833 /nfs/dbraw/zinc/53/78/33/387537833.db2.gz UPGZYROGBTZORF-UHFFFAOYSA-N 2 0 214.328 1.762 20 0 BDADRP CC(C)C[C@H](CO)[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000352746647 387470456 /nfs/dbraw/zinc/47/04/56/387470456.db2.gz ASVMHBDDTCOJIL-OUCADQQQSA-N 2 0 240.391 1.466 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000643471069 387478143 /nfs/dbraw/zinc/47/81/43/387478143.db2.gz XQAMMTMTDIDGGE-RFQIPJPRSA-N 2 0 240.391 1.787 20 0 BDADRP CC[NH+](CC)CCOCC[NH2+]CC(C)(C)C ZINC000336782168 387581947 /nfs/dbraw/zinc/58/19/47/387581947.db2.gz WVIMOQRSSVXPSH-UHFFFAOYSA-N 2 0 230.396 1.981 20 0 BDADRP C[C@H](CN[C@@H]1CCC[C@@H]1[NH3+])C[NH+]1CCCC1 ZINC000422716851 387628240 /nfs/dbraw/zinc/62/82/40/387628240.db2.gz KDCHDPBNYUJGOZ-FRRDWIJNSA-N 2 0 225.380 1.188 20 0 BDADRP CC(C)(CC[NH3+])NC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000422543086 387596335 /nfs/dbraw/zinc/59/63/35/387596335.db2.gz RPFNEIVCLBNPPU-WDEREUQCSA-N 2 0 241.379 1.138 20 0 BDADRP CCC([NH3+])(CC)C[NH2+][C@@H](C)CCCCO ZINC000643513771 387597846 /nfs/dbraw/zinc/59/78/46/387597846.db2.gz MOOHEESYNKTGLQ-NSHDSACASA-N 2 0 216.369 1.645 20 0 BDADRP Cc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH3+])c(C)n1 ZINC000643514823 387600190 /nfs/dbraw/zinc/60/01/90/387600190.db2.gz MEBZVPDWZPUKSK-KOLCDFICSA-N 2 0 221.348 1.944 20 0 BDADRP Cc1n[nH]cc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422558180 387600878 /nfs/dbraw/zinc/60/08/78/387600878.db2.gz AIDVJPLDYUIYDZ-FOGDFJRCSA-N 2 0 236.363 1.523 20 0 BDADRP Cc1n[nH]cc1C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422558187 387600957 /nfs/dbraw/zinc/60/09/57/387600957.db2.gz AIDVJPLDYUIYDZ-NHCYSSNCSA-N 2 0 236.363 1.523 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422563142 387601822 /nfs/dbraw/zinc/60/18/22/387601822.db2.gz RWSUOFIYYGGQDO-RFGFWPKPSA-N 2 0 241.423 1.665 20 0 BDADRP Cc1ccn2c(C[NH2+]C(C)(C)CC[NH3+])cnc2c1 ZINC000422561814 387602098 /nfs/dbraw/zinc/60/20/98/387602098.db2.gz NMCOSKDQEBTDFO-UHFFFAOYSA-N 2 0 246.358 1.860 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000122841016 387606961 /nfs/dbraw/zinc/60/69/61/387606961.db2.gz WVMXBZHBRBYCNX-XQQFMLRXSA-N 2 0 228.380 1.325 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](CC[C@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000422637598 387611120 /nfs/dbraw/zinc/61/11/20/387611120.db2.gz OZXCOXLNWNRUJM-XJFOESAGSA-N 3 0 239.407 1.291 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@H](C)CCC[NH3+] ZINC000422713707 387629391 /nfs/dbraw/zinc/62/93/91/387629391.db2.gz PZCOUILUXKNLPL-HBNTYKKESA-N 2 0 202.342 1.110 20 0 BDADRP C[C@@H]([NH3+])[C@H]1COCC[C@H]1[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000422701029 387616306 /nfs/dbraw/zinc/61/63/06/387616306.db2.gz HWEKKYPFHVFWPT-RKQHYHRCSA-N 2 0 240.391 1.907 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CCCCO1 ZINC000422701493 387616366 /nfs/dbraw/zinc/61/63/66/387616366.db2.gz IRQBZOUCVJNPTG-DCAQKATOSA-N 2 0 200.326 1.271 20 0 BDADRP CC[C@@H](C)[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422705184 387619853 /nfs/dbraw/zinc/61/98/53/387619853.db2.gz BIIGEBPYAYSDGL-VKYHIEHISA-N 2 0 226.364 1.266 20 0 BDADRP CC[N@H+](C)CCN[C@@H](C)c1c[nH+]ccc1N ZINC000422709474 387622492 /nfs/dbraw/zinc/62/24/92/387622492.db2.gz DLRSFTABHZKXTG-JTQLQIEISA-N 2 0 222.336 1.096 20 0 BDADRP CC[N@H+](C)CCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000422708072 387622524 /nfs/dbraw/zinc/62/25/24/387622524.db2.gz BIVXBBUDJGFXOQ-NEPJUHHUSA-N 2 0 213.369 1.188 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCCOC1)[C@@H]1CCC[NH2+]1 ZINC000422710450 387623348 /nfs/dbraw/zinc/62/33/48/387623348.db2.gz FTCKCYZVRBQGLB-WOPDTQHZSA-N 2 0 212.337 1.143 20 0 BDADRP CCCC[N@H+](C)CCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000422708932 387624008 /nfs/dbraw/zinc/62/40/08/387624008.db2.gz JVXFOPUSMXIDOH-OLZOCXBDSA-N 2 0 227.396 1.435 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)CCO1 ZINC000527533826 387624662 /nfs/dbraw/zinc/62/46/62/387624662.db2.gz VYQBRXLQBRAFMR-IJLUTSLNSA-N 2 0 224.348 1.428 20 0 BDADRP CC(C)[C@@H](O)C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000124630520 387626126 /nfs/dbraw/zinc/62/61/26/387626126.db2.gz UIPBSPNWBAOSOY-RDBSUJKOSA-N 2 0 242.407 1.904 20 0 BDADRP CCCC[N@H+](CCN1CC[NH2+]CC1)C1CC1 ZINC000042317861 387626953 /nfs/dbraw/zinc/62/69/53/387626953.db2.gz KGCNJWPDLRXNNN-UHFFFAOYSA-N 2 0 225.380 1.156 20 0 BDADRP C[N@H+](CCCF)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375762930 387579636 /nfs/dbraw/zinc/57/96/36/387579636.db2.gz LEXACBRYLDDKGM-FOSCPWQOSA-N 2 0 214.328 1.903 20 0 BDADRP C[C@@H]([NH2+]Cc1cccc(N(C)C)c1)C1C[NH2+]C1 ZINC000422715829 387628061 /nfs/dbraw/zinc/62/80/61/387628061.db2.gz MTXUYQLZANFFSA-LLVKDONJSA-N 2 0 233.359 1.450 20 0 BDADRP CC[NH+](CC)CCN[C@H](C)C[C@H](C)[NH3+] ZINC000422744857 387694525 /nfs/dbraw/zinc/69/45/25/387694525.db2.gz KYCGGKNFWUHXJS-WDEREUQCSA-N 2 0 201.358 1.044 20 0 BDADRP Cc1ccn2cc(C[NH2+][C@@H](C)CCC[NH3+])nc2c1 ZINC000422720552 387633665 /nfs/dbraw/zinc/63/36/65/387633665.db2.gz SRMJWELTJFFRCI-LBPRGKRZSA-N 2 0 246.358 1.860 20 0 BDADRP CC[C@H]1CCCCN1CC[NH2+][C@@H](C)CCC[NH3+] ZINC000422727586 387635458 /nfs/dbraw/zinc/63/54/58/387635458.db2.gz HNAFLEQPNKEFQT-KBPBESRZSA-N 2 0 241.423 1.968 20 0 BDADRP C[C@@H]([NH2+]C[C@]1(C)CCOC1)[C@H]1CCC[NH2+]1 ZINC000422725080 387635825 /nfs/dbraw/zinc/63/58/25/387635825.db2.gz ALJWLHPLVNZKSY-UTUOFQBUSA-N 2 0 212.337 1.143 20 0 BDADRP CCOCCC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422725170 387636771 /nfs/dbraw/zinc/63/67/71/387636771.db2.gz ASIOMHAJHJTEAP-RYUDHWBXSA-N 2 0 214.353 1.663 20 0 BDADRP C[NH+](C)CCCC1CC[NH+](CCCO)CC1 ZINC000305724256 387637638 /nfs/dbraw/zinc/63/76/38/387637638.db2.gz KXMZOINVSHWBJU-UHFFFAOYSA-N 2 0 228.380 1.423 20 0 BDADRP C[NH+](C)[C@H]1CCCN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000125158986 387646605 /nfs/dbraw/zinc/64/66/05/387646605.db2.gz GCZIDCWGIBDUCF-KGLIPLIRSA-N 2 0 239.407 1.497 20 0 BDADRP CC[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422792817 387695229 /nfs/dbraw/zinc/69/52/29/387695229.db2.gz ZMXSERPYVLNFRL-CRWXNKLISA-N 2 0 239.407 1.589 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@H]1CCCO1 ZINC000422741927 387647703 /nfs/dbraw/zinc/64/77/03/387647703.db2.gz FQVQUWJJORXZPC-IJLUTSLNSA-N 2 0 212.337 1.415 20 0 BDADRP C[C@H](CN[C@H](C)[C@H]1CCCC[NH2+]1)[NH+](C)C ZINC000422740377 387648582 /nfs/dbraw/zinc/64/85/82/387648582.db2.gz MPWSUOVKIHZFRU-IJLUTSLNSA-N 2 0 213.369 1.057 20 0 BDADRP C[C@H]([NH3+])CC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000430775667 387649200 /nfs/dbraw/zinc/64/92/00/387649200.db2.gz HLWKVSJORBCAGC-RYUDHWBXSA-N 2 0 241.379 1.057 20 0 BDADRP C[C@@H]([NH3+])CC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000430775668 387649254 /nfs/dbraw/zinc/64/92/54/387649254.db2.gz HLWKVSJORBCAGC-VXGBXAGGSA-N 2 0 241.379 1.057 20 0 BDADRP C[C@H](CN[C@H]1C[NH2+]CC[C@H]1C)[N@H+](C)C1CC1 ZINC000422747239 387651977 /nfs/dbraw/zinc/65/19/77/387651977.db2.gz YDXHFJXXLXOMHQ-WZRBSPASSA-N 2 0 225.380 1.057 20 0 BDADRP C[C@H]([NH3+])CC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000430801972 387653413 /nfs/dbraw/zinc/65/34/13/387653413.db2.gz INRSRUFZGRUVMX-WDEREUQCSA-N 2 0 243.395 1.206 20 0 BDADRP C[C@H]([NH2+]C1CC(C)(F)C1)[C@@H]1CCC[NH2+]C1 ZINC000643491408 387654251 /nfs/dbraw/zinc/65/42/51/387654251.db2.gz OMNDIYGENUCCCR-DMOGRIERSA-N 2 0 214.328 1.855 20 0 BDADRP Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cc1 ZINC000422753263 387658489 /nfs/dbraw/zinc/65/84/89/387658489.db2.gz FYHSSXNBZVJJET-AEGPPILISA-N 2 0 248.370 1.837 20 0 BDADRP CSC[C@H](C)[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422756901 387660297 /nfs/dbraw/zinc/66/02/97/387660297.db2.gz MCIMTRNJFXBYKF-HBNTYKKESA-N 2 0 216.394 1.988 20 0 BDADRP CC(C)OCCC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422762446 387662452 /nfs/dbraw/zinc/66/24/52/387662452.db2.gz NQMUMZUNQIOCHG-WDEREUQCSA-N 2 0 202.342 1.517 20 0 BDADRP COc1cccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c1 ZINC000422770965 387669547 /nfs/dbraw/zinc/66/95/47/387669547.db2.gz QXFHGSKCZVUICQ-GHMZBOCLSA-N 2 0 222.332 1.911 20 0 BDADRP COc1cccc(C[NH2+][C@H](C)C2C[NH2+]C2)c1 ZINC000422772221 387670605 /nfs/dbraw/zinc/67/06/05/387670605.db2.gz SBNHCXWSYTWJCX-SNVBAGLBSA-N 2 0 220.316 1.393 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)NCCC[NH+]1CCC(C)CC1 ZINC000422775387 387672160 /nfs/dbraw/zinc/67/21/60/387672160.db2.gz BLOWNJDNNYYJGL-KGLIPLIRSA-N 2 0 241.423 1.824 20 0 BDADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)C2C[NH2+]C2)CC1 ZINC000422776332 387673103 /nfs/dbraw/zinc/67/31/03/387673103.db2.gz ACTLHWCZUSMLGM-LBPRGKRZSA-N 3 0 239.407 1.306 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1COc2ccccc2C1 ZINC000422775978 387673452 /nfs/dbraw/zinc/67/34/52/387673452.db2.gz CTSSMKVHYDBWSA-GMXVVIOVSA-N 2 0 234.343 1.706 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCCn1cccn1 ZINC000126258065 387677532 /nfs/dbraw/zinc/67/75/32/387677532.db2.gz PFBIVGJFELRKNE-OLZOCXBDSA-N 2 0 236.363 1.380 20 0 BDADRP C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)[C@@H]1CCC[NH2+]1 ZINC000422779649 387678606 /nfs/dbraw/zinc/67/86/06/387678606.db2.gz IOQCBBJTFLFKOX-OBPIAQAESA-N 2 0 238.375 1.530 20 0 BDADRP CC(C)COCCC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422778730 387679207 /nfs/dbraw/zinc/67/92/07/387679207.db2.gz DXPMSUSROBPTGF-NEPJUHHUSA-N 2 0 216.369 1.765 20 0 BDADRP CCCCOCC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422784659 387682612 /nfs/dbraw/zinc/68/26/12/387682612.db2.gz QBONTBHSYACZIV-QWHCGFSZSA-N 2 0 228.380 1.781 20 0 BDADRP C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422786117 387685454 /nfs/dbraw/zinc/68/54/54/387685454.db2.gz SBCMXWLZTMSTBV-VOAKCMCISA-N 2 0 225.380 1.199 20 0 BDADRP CC[C@H]([NH2+]CC[C@@H](O)C(C)C)[C@@H]1CCCC[NH2+]1 ZINC000422788095 387686030 /nfs/dbraw/zinc/68/60/30/387686030.db2.gz VEGRLVWINKUBJK-MELADBBJSA-N 2 0 242.407 1.904 20 0 BDADRP C[C@H]1CC[NH2+]C[C@H]1NCCC[NH+]1CCCCC1 ZINC000422786941 387686373 /nfs/dbraw/zinc/68/63/73/387686373.db2.gz PINBBTQDRNTASE-UONOGXRCSA-N 2 0 239.407 1.450 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CC1(C(N)=O)CCCC1 ZINC000422742691 387691341 /nfs/dbraw/zinc/69/13/41/387691341.db2.gz GVCSOUPZMIEBBW-NSHDSACASA-N 2 0 241.379 1.139 20 0 BDADRP CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)CCC[NH3+] ZINC000422791526 387692419 /nfs/dbraw/zinc/69/24/19/387692419.db2.gz QGNYSOWXJJRWIA-QJPTWQEYSA-N 2 0 214.353 1.661 20 0 BDADRP C[C@H](CN[C@@H](C)C1C[NH2+]C1)[N@@H+]1CCCC[C@@H]1C ZINC000422860303 387743565 /nfs/dbraw/zinc/74/35/65/387743565.db2.gz LIWCHEHGOKFIAX-XQQFMLRXSA-N 2 0 239.407 1.447 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)NCC[NH+]1CCC(C)CC1 ZINC000422867008 387745817 /nfs/dbraw/zinc/74/58/17/387745817.db2.gz RNQDATOUGXOURR-OLZOCXBDSA-N 2 0 227.396 1.434 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000422865254 387747075 /nfs/dbraw/zinc/74/70/75/387747075.db2.gz XLJYWPBHQOPLDY-XQQFMLRXSA-N 2 0 239.407 1.719 20 0 BDADRP C[C@H](C[NH2+][C@H](C)C1C[NH2+]C1)N(C)c1ccccc1 ZINC000422866942 387747288 /nfs/dbraw/zinc/74/72/88/387747288.db2.gz RFNPLUYCEHWJNC-CHWSQXEVSA-N 2 0 247.386 1.709 20 0 BDADRP C([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCS1 ZINC000422877108 387756390 /nfs/dbraw/zinc/75/63/90/387756390.db2.gz QZYJIQAUKRPSCD-AYLPWXGPSA-N 2 0 226.389 1.755 20 0 BDADRP C[C@@H](NCC[N@@H+]1CCC[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422871379 387748722 /nfs/dbraw/zinc/74/87/22/387748722.db2.gz ZYKKWJFGZYPKMM-BFHYXJOUSA-N 2 0 239.407 1.448 20 0 BDADRP COc1ccc(CC[C@@H](C)[NH2+]C[C@H](C)[NH3+])cc1 ZINC000643526249 387750274 /nfs/dbraw/zinc/75/02/74/387750274.db2.gz WDKDUQJFKYKHDV-NWDGAFQWSA-N 2 0 236.359 1.953 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000422873145 387751952 /nfs/dbraw/zinc/75/19/52/387751952.db2.gz KFPWOXUBBHAWJX-YRGRVCCFSA-N 2 0 237.391 1.201 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000422873134 387752348 /nfs/dbraw/zinc/75/23/48/387752348.db2.gz KCYDVBABRFKXHY-DMDPSCGWSA-N 2 0 225.380 1.186 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCS1 ZINC000422872843 387753048 /nfs/dbraw/zinc/75/30/48/387753048.db2.gz IVIJVLUYEPEJNU-BBBLOLIVSA-N 2 0 200.351 1.351 20 0 BDADRP CC[N@H+](CCN[C@H]1CC[NH2+]CC[C@H]1C)C1CC1 ZINC000422876969 387754291 /nfs/dbraw/zinc/75/42/91/387754291.db2.gz GZWOECFOXCBDKJ-OCCSQVGLSA-N 2 0 239.407 1.448 20 0 BDADRP C1C[C@H]2CC(N[C@H]3CC[N@@H+]4CCCC[C@@H]34)C[C@@H]1[NH2+]2 ZINC000422879738 387754496 /nfs/dbraw/zinc/75/44/96/387754496.db2.gz KYBZLSBMZUZCPZ-AWQNUYMJSA-N 2 0 249.402 1.486 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCCOc1ccccc1 ZINC000422795831 387697181 /nfs/dbraw/zinc/69/71/81/387697181.db2.gz WSWHMWLPJMVAJB-UONOGXRCSA-N 2 0 234.343 1.925 20 0 BDADRP CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422796279 387698758 /nfs/dbraw/zinc/69/87/58/387698758.db2.gz YBEIFGLXSUAMHU-ZMLRMANQSA-N 2 0 212.337 1.142 20 0 BDADRP CC(=O)Nc1ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422802598 387702895 /nfs/dbraw/zinc/70/28/95/387702895.db2.gz HOWPJGSCFUAYEA-GHMZBOCLSA-N 2 0 249.358 1.860 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC1(CCO)CCCC1 ZINC000422805379 387703422 /nfs/dbraw/zinc/70/34/22/387703422.db2.gz GOXCKWNAWKPVRE-NEPJUHHUSA-N 2 0 226.364 1.399 20 0 BDADRP C[NH+](C)Cc1cccc(CN[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000422805834 387705868 /nfs/dbraw/zinc/70/58/68/387705868.db2.gz JSAXSVAEGGCZSQ-HUUCEWRRSA-N 2 0 247.386 1.718 20 0 BDADRP Cc1cccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])c1 ZINC000422810956 387707979 /nfs/dbraw/zinc/70/79/79/387707979.db2.gz VAKHVAHCXXZXLX-VHDGCEQUSA-N 2 0 248.370 1.837 20 0 BDADRP CO[C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])C(C)C ZINC000422808598 387708032 /nfs/dbraw/zinc/70/80/32/387708032.db2.gz OOLJXUHUWNZYRR-HBNTYKKESA-N 2 0 202.342 1.373 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCN1CCCCC1 ZINC000422809353 387709389 /nfs/dbraw/zinc/70/93/89/387709389.db2.gz MBRVFQZBBVRSQQ-KGLIPLIRSA-N 2 0 239.407 1.450 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NCC[NH+]1CCCCCC1 ZINC000422812419 387710462 /nfs/dbraw/zinc/71/04/62/387710462.db2.gz WFLDMTJGCBCUQA-STQMWFEESA-N 2 0 227.396 1.578 20 0 BDADRP CCC1(C[NH2+][C@H](C)C[C@@H](C)[NH3+])CCOCC1 ZINC000422814020 387712025 /nfs/dbraw/zinc/71/20/25/387712025.db2.gz SWZHMVSNBICBQA-VXGBXAGGSA-N 2 0 228.380 1.909 20 0 BDADRP CC(C)C[NH+]1CCC(N[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000422817128 387715328 /nfs/dbraw/zinc/71/53/28/387715328.db2.gz GUJCDSSWYHIEMC-OLZOCXBDSA-N 2 0 241.423 1.822 20 0 BDADRP CCCN(CC)CC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422819803 387717990 /nfs/dbraw/zinc/71/79/90/387717990.db2.gz IWHPLGUXRJRVGD-UHFFFAOYSA-N 2 0 241.423 1.825 20 0 BDADRP CC(C)C[C@H](CN[C@@H]1C[NH2+]CC[C@H]1C)[NH+](C)C ZINC000422821688 387718327 /nfs/dbraw/zinc/71/83/27/387718327.db2.gz XVVCJVKNXTZNKS-MGPQQGTHSA-N 2 0 241.423 1.550 20 0 BDADRP CC[N@H+](C)CCN[C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21 ZINC000367549894 387725389 /nfs/dbraw/zinc/72/53/89/387725389.db2.gz HPITZKCKVRGVRT-MJBXVCDLSA-N 2 0 239.407 1.401 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1N[C@H]1CCC[NH2+]CC1 ZINC000643522963 387725511 /nfs/dbraw/zinc/72/55/11/387725511.db2.gz PFWXNUQCWCIVKY-YNEHKIRRSA-N 2 0 225.380 1.378 20 0 BDADRP COC[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)C1CCCC1 ZINC000643523202 387725955 /nfs/dbraw/zinc/72/59/55/387725955.db2.gz XLTYNTNXPSOLHH-ZIAGYGMSSA-N 2 0 240.391 1.923 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000452071834 387726092 /nfs/dbraw/zinc/72/60/92/387726092.db2.gz SIQVKLFOPMJSFY-CHWSQXEVSA-N 2 0 228.380 1.421 20 0 BDADRP CC[C@H]([NH2+]CCCCCOC)[C@@H]1CCC[NH2+]1 ZINC000422831627 387726802 /nfs/dbraw/zinc/72/68/02/387726802.db2.gz WYVYREIXRLBWQF-STQMWFEESA-N 2 0 228.380 1.923 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@H]1C[NH2+]CC[C@H]1C ZINC000422877133 387755668 /nfs/dbraw/zinc/75/56/68/387755668.db2.gz RBJJWJFLIZZDDN-RFHZTLPTSA-N 2 0 237.391 1.057 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000422837091 387729311 /nfs/dbraw/zinc/72/93/11/387729311.db2.gz LIAHGVHLSAVHFW-QNWHQSFQSA-N 2 0 225.380 1.329 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCCNc1ccccn1 ZINC000422838786 387729409 /nfs/dbraw/zinc/72/94/09/387729409.db2.gz YBYLWLUFDRDCIJ-NWDGAFQWSA-N 2 0 234.347 1.353 20 0 BDADRP C[C@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)[C@@H]1CCC[NH2+]1 ZINC000422841187 387731141 /nfs/dbraw/zinc/73/11/41/387731141.db2.gz VKHMEIBIUJSVBG-XUXIUFHCSA-N 2 0 239.407 1.589 20 0 BDADRP CCC(O)(CC)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128055764 387734341 /nfs/dbraw/zinc/73/43/41/387734341.db2.gz BKWOOHWOWJEPAX-QWHCGFSZSA-N 2 0 240.391 1.754 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])C1(C)C ZINC000422848353 387734858 /nfs/dbraw/zinc/73/48/58/387734858.db2.gz JSEPNKCCRSKPSO-ZRUFSTJUSA-N 2 0 212.337 1.269 20 0 BDADRP CCC1(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])CCC1 ZINC000422847148 387735371 /nfs/dbraw/zinc/73/53/71/387735371.db2.gz HLPHGTCHPUPFMG-RWMBFGLXSA-N 2 0 240.391 1.909 20 0 BDADRP CC[N@H+](CCN[C@H]1CCC[C@@H]1[NH3+])C(C)C ZINC000422880132 387756080 /nfs/dbraw/zinc/75/60/80/387756080.db2.gz NIBGESIXTAVSLI-RYUDHWBXSA-N 2 0 213.369 1.186 20 0 BDADRP CO[C@@H]1C[C@@H]([NH2+]C2CCC(C[NH3+])CC2)C1(C)C ZINC000422857217 387740458 /nfs/dbraw/zinc/74/04/58/387740458.db2.gz XYURCUAPTJLLGB-FIYWTHMPSA-N 2 0 240.391 1.907 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CCN1CCCC[C@@H]1C ZINC000422857085 387741851 /nfs/dbraw/zinc/74/18/51/387741851.db2.gz GVFCEFSHFAXTIB-KBPBESRZSA-N 2 0 241.423 1.968 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NCC[N@@H+]1CCCC[C@@H]1C ZINC000422856805 387742178 /nfs/dbraw/zinc/74/21/78/387742178.db2.gz GPHXAMFQOMEBPD-AVGNSLFASA-N 2 0 227.396 1.576 20 0 BDADRP CC[C@H](O)CC[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422890556 387762836 /nfs/dbraw/zinc/76/28/36/387762836.db2.gz INTZKKBCZMQVAA-SRVKXCTJSA-N 2 0 214.353 1.268 20 0 BDADRP CCC1(CC)[C@H]([NH2+]C[C@@H](C)[NH3+])C[C@H]1OC ZINC000643527508 387766287 /nfs/dbraw/zinc/76/62/87/387766287.db2.gz NTPHGAGCTSAXLZ-GMTAPVOTSA-N 2 0 214.353 1.517 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422909511 387768450 /nfs/dbraw/zinc/76/84/50/387768450.db2.gz OEZNWYRHNOBTCS-MJBXVCDLSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@H]([NH3+])C[NH2+][C@H]1CCC[C@H]1CCCF ZINC000643527731 387768511 /nfs/dbraw/zinc/76/85/11/387768511.db2.gz RPCBRCRQGQVHPC-DCAQKATOSA-N 2 0 202.317 1.842 20 0 BDADRP CC[C@@H]([NH2+]CC[C@H](C)OC)[C@@H]1CCC[NH2+]1 ZINC000422908851 387769804 /nfs/dbraw/zinc/76/98/04/387769804.db2.gz ZQFNEOFPMCPMEV-TUAOUCFPSA-N 2 0 214.353 1.532 20 0 BDADRP CC[C@H](O)CCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422923684 387777109 /nfs/dbraw/zinc/77/71/09/387777109.db2.gz SMQVKLHXSWNJCA-BPCQOVAHSA-N 2 0 228.380 1.645 20 0 BDADRP C[C@@H]1CCN(CC[NH2+][C@H]2CCOC[C@H]2C)C1 ZINC000309507055 387812511 /nfs/dbraw/zinc/81/25/11/387812511.db2.gz WFMZUAARTFMSNS-UPJWGTAASA-N 2 0 226.364 1.343 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1CCOC1)[C@@H]1CCCC[NH2+]1 ZINC000422900100 387786266 /nfs/dbraw/zinc/78/62/66/387786266.db2.gz PWHYNRVNCSDRPS-AGIUHOORSA-N 2 0 226.364 1.533 20 0 BDADRP CCC[C@@](C)(O)C[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422979109 387788907 /nfs/dbraw/zinc/78/89/07/387788907.db2.gz LHQSOFBGXOUETK-FRRDWIJNSA-N 2 0 228.380 1.658 20 0 BDADRP CC[C@@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000150983810 387789361 /nfs/dbraw/zinc/78/93/61/387789361.db2.gz UCWIAODZEYDUOB-GFCCVEGCSA-N 2 0 227.396 1.401 20 0 BDADRP CC(C)[C@@](C)(O)C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422981180 387792158 /nfs/dbraw/zinc/79/21/58/387792158.db2.gz SDWHKBKLMYKLHE-AXFHLTTASA-N 2 0 202.342 1.109 20 0 BDADRP CC(C)CC[C@](C)(O)C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422983452 387793119 /nfs/dbraw/zinc/79/31/19/387793119.db2.gz ZOIOBLINXACGRI-AVGNSLFASA-N 2 0 230.396 1.889 20 0 BDADRP CC[C@H]([NH2+]CC1(CCO)CCC1)[C@@H]1CCC[NH2+]1 ZINC000422986405 387796262 /nfs/dbraw/zinc/79/62/62/387796262.db2.gz CLHUOYUEDOWKDJ-STQMWFEESA-N 2 0 240.391 1.659 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CC1(CCO)CCC1 ZINC000422989600 387797144 /nfs/dbraw/zinc/79/71/44/387797144.db2.gz LYPUMYBOFIITRO-OLZOCXBDSA-N 2 0 240.391 1.646 20 0 BDADRP CSCC[C@H](CO)[NH2+][C@H](C)CCCC[NH3+] ZINC000422990305 387800467 /nfs/dbraw/zinc/80/04/67/387800467.db2.gz NHVPONOZOOVFAA-GHMZBOCLSA-N 2 0 234.409 1.208 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)CCO1 ZINC000422990524 387800697 /nfs/dbraw/zinc/80/06/97/387800697.db2.gz NREYJSZINLYVIY-SYQHCUMBSA-N 2 0 240.391 1.920 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCn1cccn1 ZINC000422993563 387802642 /nfs/dbraw/zinc/80/26/42/387802642.db2.gz RMRQQYFSLCWWFH-NEPJUHHUSA-N 2 0 222.336 1.133 20 0 BDADRP CC(C)[C@@H](O)C(C)(C)C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422996885 387803338 /nfs/dbraw/zinc/80/33/38/387803338.db2.gz ADSOFEQAAYYDKU-QJPTWQEYSA-N 2 0 230.396 1.745 20 0 BDADRP C[C@H]([NH2+][C@H](CCO)C1CCCCC1)C1C[NH2+]C1 ZINC000423001534 387804235 /nfs/dbraw/zinc/80/42/35/387804235.db2.gz DVHOBCQRAGWRFQ-SMDDNHRTSA-N 2 0 240.391 1.515 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC(C)(C)CCCO ZINC000422999799 387804351 /nfs/dbraw/zinc/80/43/51/387804351.db2.gz YLGKIUNACRPLDV-MNOVXSKESA-N 2 0 216.369 1.501 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](CO)CC(C)(C)C ZINC000423000953 387804616 /nfs/dbraw/zinc/80/46/16/387804616.db2.gz WJMCEWJEIOBXFX-GARJFASQSA-N 2 0 216.369 1.499 20 0 BDADRP C[C@@H]([NH2+]C[C@@H](C)CCO)[C@H]1CCCC[NH2+]1 ZINC000423001082 387805391 /nfs/dbraw/zinc/80/53/91/387805391.db2.gz DDWRETFWZNALNQ-QJPTWQEYSA-N 2 0 214.353 1.125 20 0 BDADRP CC(C)(C)C[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423002423 387806916 /nfs/dbraw/zinc/80/69/16/387806916.db2.gz YWRLBAOIQUAGTP-ZGVCCVRISA-N 2 0 240.391 1.656 20 0 BDADRP CCC[C@H](CCO)C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000423001907 387807171 /nfs/dbraw/zinc/80/71/71/387807171.db2.gz FGTCFQYDXAGXSO-GRYCIOLGSA-N 2 0 216.369 1.501 20 0 BDADRP CCN(CC)C(=O)CCC[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422953528 387808922 /nfs/dbraw/zinc/80/89/22/387808922.db2.gz FVCJFNYDVCJCHK-NWDGAFQWSA-N 2 0 241.379 1.104 20 0 BDADRP CC(C)[N@@H+](C)CCN[C@@H](C)C[C@H](C)[NH3+] ZINC000422880426 387758409 /nfs/dbraw/zinc/75/84/09/387758409.db2.gz OBCGODZNFONGFB-QWRGUYRKSA-N 2 0 201.358 1.042 20 0 BDADRP C[C@@H](N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000422880914 387758491 /nfs/dbraw/zinc/75/84/91/387758491.db2.gz XUEMCGTWQYRBRU-HBJVGIJOSA-N 2 0 237.391 1.199 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCOCC1CC1 ZINC000422888313 387760829 /nfs/dbraw/zinc/76/08/29/387760829.db2.gz MOCGFPYGUVJNAI-ZJUUUORDSA-N 2 0 200.326 1.128 20 0 BDADRP Cc1cnc(CC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cn1 ZINC000564074248 387820786 /nfs/dbraw/zinc/82/07/86/387820786.db2.gz JNLSRLDQHHRVEM-UONOGXRCSA-N 2 0 248.374 1.577 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422972839 387821029 /nfs/dbraw/zinc/82/10/29/387821029.db2.gz ANCDVHPXCVJNHB-UTUOFQBUSA-N 2 0 214.353 1.125 20 0 BDADRP CC[C@H]([NH2+]C[C@@H](C)CO)[C@H]1CCCC[NH2+]1 ZINC000422971509 387821988 /nfs/dbraw/zinc/82/19/88/387821988.db2.gz IVOSXLALHNFGJT-GRYCIOLGSA-N 2 0 214.353 1.125 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422972838 387822118 /nfs/dbraw/zinc/82/21/18/387822118.db2.gz ANCDVHPXCVJNHB-TUAOUCFPSA-N 2 0 214.353 1.125 20 0 BDADRP C[C@H](C[NH2+][C@H](C)C1C[NH2+]C1)Oc1ccccc1 ZINC000422975545 387822708 /nfs/dbraw/zinc/82/27/08/387822708.db2.gz BKAGITYMTCAHBK-VXGBXAGGSA-N 2 0 234.343 1.651 20 0 BDADRP C[C@H](CCO)[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422973979 387823073 /nfs/dbraw/zinc/82/30/73/387823073.db2.gz DBICFAUDRQBHGF-DYEKYZERSA-N 2 0 236.359 1.305 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC1(O)CCCCC1 ZINC000422975356 387824297 /nfs/dbraw/zinc/82/42/97/387824297.db2.gz SOTMMBUGFAKNKZ-MNOVXSKESA-N 2 0 214.353 1.397 20 0 BDADRP CC[C@@H]([NH2+]CCc1ccncc1)[C@@H]1CCC[NH2+]1 ZINC000423005871 387827969 /nfs/dbraw/zinc/82/79/69/387827969.db2.gz NJHVLEAXDNPJPA-KGLIPLIRSA-N 2 0 233.359 1.744 20 0 BDADRP CC(C)[C@H](O)C(C)(C)C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000423007667 387828685 /nfs/dbraw/zinc/82/86/85/387828685.db2.gz YFLJVJHNPTWCID-WOPDTQHZSA-N 2 0 228.380 1.499 20 0 BDADRP CC[C@H](C[C@@H](C)CO)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423007126 387828865 /nfs/dbraw/zinc/82/88/65/387828865.db2.gz PVGOYGPEICNXID-XQHKEYJVSA-N 2 0 228.380 1.514 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H](CO)c1ccccc1 ZINC000423008674 387830676 /nfs/dbraw/zinc/83/06/76/387830676.db2.gz TZHRJEJEEVCZLD-SOUVJXGZSA-N 2 0 248.370 1.480 20 0 BDADRP Cc1cnccc1CC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000423009335 387831589 /nfs/dbraw/zinc/83/15/89/387831589.db2.gz CSOYRVVJFJFOFA-NEPJUHHUSA-N 2 0 221.348 1.648 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000423073444 387873247 /nfs/dbraw/zinc/87/32/47/387873247.db2.gz IRIWQFLVKUDFBJ-JSGCOSHPSA-N 2 0 239.407 1.720 20 0 BDADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1(CO)CC1 ZINC000643459236 387835060 /nfs/dbraw/zinc/83/50/60/387835060.db2.gz AOYXMERDMBDUFJ-OCCSQVGLSA-N 2 0 248.370 1.307 20 0 BDADRP Cc1cnccc1CC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000423012551 387835185 /nfs/dbraw/zinc/83/51/85/387835185.db2.gz KWNLIQCRHOQURD-DOMZBBRYSA-N 2 0 247.386 1.910 20 0 BDADRP CCc1noc(C)c1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442752676 387835525 /nfs/dbraw/zinc/83/55/25/387835525.db2.gz FGTAVSBSJXBWSL-KOLCDFICSA-N 2 0 237.347 1.715 20 0 BDADRP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCO1 ZINC000423016415 387840309 /nfs/dbraw/zinc/84/03/09/387840309.db2.gz SVZSKOWKJIORPH-QZQCMHJZSA-N 2 0 238.375 1.817 20 0 BDADRP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCO1 ZINC000423016414 387841520 /nfs/dbraw/zinc/84/15/20/387841520.db2.gz SVZSKOWKJIORPH-PJIALRRASA-N 2 0 238.375 1.817 20 0 BDADRP C[C@@H]1[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)CCCN1C ZINC000423025936 387843939 /nfs/dbraw/zinc/84/39/39/387843939.db2.gz AGUUNOARTQFGNU-JHJVBQTASA-N 2 0 225.380 1.201 20 0 BDADRP COCCC(C)(C)C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000423029437 387847482 /nfs/dbraw/zinc/84/74/82/387847482.db2.gz AHGVUDLLOPBZSI-MNOVXSKESA-N 2 0 214.353 1.519 20 0 BDADRP CC[C@@H]([NH2+]CC[C@H]1CCCO1)[C@@H]1CCC[NH2+]1 ZINC000643459668 387848599 /nfs/dbraw/zinc/84/85/99/387848599.db2.gz MBUMHAGPNBFBDM-UPJWGTAASA-N 2 0 226.364 1.676 20 0 BDADRP C[C@@H](NCC1(C[NH+](C)C)CCCC1)C1C[NH2+]C1 ZINC000423040277 387852611 /nfs/dbraw/zinc/85/26/11/387852611.db2.gz SYOPHBJGVJQFHI-GFCCVEGCSA-N 2 0 239.407 1.306 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(CO)CCC1 ZINC000423038995 387852669 /nfs/dbraw/zinc/85/26/69/387852669.db2.gz ZOWPVBHBJRPPGV-VXGBXAGGSA-N 2 0 226.364 1.127 20 0 BDADRP CC(C)[C@H](C[NH3+])C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000433171293 387853324 /nfs/dbraw/zinc/85/33/24/387853324.db2.gz DAPPODIJAFYCAR-STQMWFEESA-N 2 0 249.358 1.034 20 0 BDADRP CCC(O)(CC)CC[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423075493 387874284 /nfs/dbraw/zinc/87/42/84/387874284.db2.gz XCVKOJFQFWWVIE-GHMZBOCLSA-N 2 0 216.369 1.643 20 0 BDADRP COc1ccc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1 ZINC000193657493 387860044 /nfs/dbraw/zinc/86/00/44/387860044.db2.gz XTJGBEZLZFCJFZ-OKILXGFUSA-N 2 0 246.354 1.689 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)CN1C1CC1 ZINC000643534768 387860540 /nfs/dbraw/zinc/86/05/40/387860540.db2.gz CJXZNBQFEUPCQG-YRGRVCCFSA-N 2 0 249.402 1.343 20 0 BDADRP C[C@@H](C[NH2+][C@H]1CCC[NH2+]CC1)c1ccncc1 ZINC000643460220 387874423 /nfs/dbraw/zinc/87/44/23/387874423.db2.gz CLRAPLOSYCZCHK-JSGCOSHPSA-N 2 0 233.359 1.917 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)CN1CCCCCC1 ZINC000423055451 387862291 /nfs/dbraw/zinc/86/22/91/387862291.db2.gz WCZWQZFLVCRKQH-KGLIPLIRSA-N 2 0 241.423 1.968 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1NCC1([NH+](C)C)CCC1 ZINC000423059446 387864630 /nfs/dbraw/zinc/86/46/30/387864630.db2.gz LROBXBFALURHHI-OLZOCXBDSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1O ZINC000423061422 387865182 /nfs/dbraw/zinc/86/51/82/387865182.db2.gz KTBFDPOZLOTSKL-ZNSHCXBVSA-N 2 0 200.326 1.005 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@H]1CCO)[C@@H]1CCCC[NH2+]1 ZINC000423060348 387865840 /nfs/dbraw/zinc/86/58/40/387865840.db2.gz HVOLBTJFLHMPTI-XUXIUFHCSA-N 2 0 240.391 1.658 20 0 BDADRP CCOC1CC(CC[NH2+][C@@H]2CCC[C@H]2[NH3+])C1 ZINC000423064717 387866745 /nfs/dbraw/zinc/86/67/45/387866745.db2.gz AGASCKGRQFYOEF-FIYWTHMPSA-N 2 0 226.364 1.661 20 0 BDADRP CC1(C)CC[C@H]1[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643536255 387867134 /nfs/dbraw/zinc/86/71/34/387867134.db2.gz PHZPKGDKEYIFLJ-GHMZBOCLSA-N 2 0 208.349 1.907 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643536424 387867452 /nfs/dbraw/zinc/86/74/52/387867452.db2.gz QSBOSGMPWDYXEK-UPJWGTAASA-N 3 0 237.391 1.378 20 0 BDADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@@H](C[NH3+])C(C)C ZINC000433121654 387867521 /nfs/dbraw/zinc/86/75/21/387867521.db2.gz SOJBBHBHFNXYQL-AAEUAGOBSA-N 2 0 243.395 1.097 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CC23CC[NH2+]CC3)C1 ZINC000643536435 387867869 /nfs/dbraw/zinc/86/78/69/387867869.db2.gz QUMFGXVTODFCPO-XQQFMLRXSA-N 2 0 238.375 1.676 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCC[C@@H]1CCO ZINC000423063506 387868515 /nfs/dbraw/zinc/86/85/15/387868515.db2.gz OUXMMBSYUSVAAY-UPJWGTAASA-N 2 0 228.380 1.645 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1CC[C@H](O)C1)[C@@H]1CCC[NH2+]1 ZINC000423069531 387871866 /nfs/dbraw/zinc/87/18/66/387871866.db2.gz LWHQLZDCOYSWGQ-CYDGBPFRSA-N 2 0 226.364 1.268 20 0 BDADRP CC[C@H]([NH2+]CCOCC[NH+](C)C)[C@H]1C[C@H]1C ZINC000322059547 387872210 /nfs/dbraw/zinc/87/22/10/387872210.db2.gz QWEJEBMYHBZSNW-AGIUHOORSA-N 2 0 228.380 1.589 20 0 BDADRP CCOc1ncccc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000422962864 387814770 /nfs/dbraw/zinc/81/47/70/387814770.db2.gz GVONDPOANDIATG-AAEUAGOBSA-N 2 0 249.358 1.697 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@H]1C[NH2+]CC[C@H]1C ZINC000422964320 387814830 /nfs/dbraw/zinc/81/48/30/387814830.db2.gz LISFVMBNAJVMEE-OLZOCXBDSA-N 2 0 227.396 1.304 20 0 BDADRP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000423071792 387872679 /nfs/dbraw/zinc/87/26/79/387872679.db2.gz OVZLSVOYCDHDQP-WUHRBBMRSA-N 2 0 226.364 1.532 20 0 BDADRP COc1ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1O ZINC000422966952 387816820 /nfs/dbraw/zinc/81/68/20/387816820.db2.gz AYNAKROVLCKPIO-NXEZZACHSA-N 2 0 238.331 1.616 20 0 BDADRP CC[C@H]([NH2+]CC(O)(CC)CC)[C@@H]1CCC[NH2+]1 ZINC000422966893 387817439 /nfs/dbraw/zinc/81/74/39/387817439.db2.gz AURHMKJEFHPOEB-RYUDHWBXSA-N 2 0 228.380 1.658 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000422969728 387818598 /nfs/dbraw/zinc/81/85/98/387818598.db2.gz DKACSLRJIUZNGR-CRWXNKLISA-N 2 0 238.375 1.685 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422968407 387818895 /nfs/dbraw/zinc/81/88/95/387818895.db2.gz WTDUYZNFDNKONJ-ZIAGYGMSSA-N 2 0 241.423 1.694 20 0 BDADRP CCNC(=O)C(C)(C)C[NH2+][C@H](C)CCCC[NH3+] ZINC000422970362 387819337 /nfs/dbraw/zinc/81/93/37/387819337.db2.gz WDXLPMFUCCKKED-LLVKDONJSA-N 2 0 243.395 1.256 20 0 BDADRP Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])n(C)n1 ZINC000423101157 387889998 /nfs/dbraw/zinc/88/99/98/387889998.db2.gz IEXFHFSOCOFFBC-WCQYABFASA-N 2 0 236.363 1.336 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCOC[C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000423105383 387890837 /nfs/dbraw/zinc/89/08/37/387890837.db2.gz IIWJBYHCRASBLV-YIYPIFLZSA-N 2 0 240.391 1.779 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423116067 387898870 /nfs/dbraw/zinc/89/88/70/387898870.db2.gz ZKBFSTWKUFASRD-MQYQWHSLSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H]([NH2+]C[C@@H](CO)CC1CCCC1)C1C[NH2+]C1 ZINC000423105569 387891542 /nfs/dbraw/zinc/89/15/42/387891542.db2.gz QULBNGUEXVFMNO-YPMHNXCESA-N 2 0 240.391 1.373 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1OC(F)F)C1C[NH2+]C1 ZINC000423115898 387898951 /nfs/dbraw/zinc/89/89/51/387898951.db2.gz OMNGURQSSRRQGJ-FBIMIBRVSA-N 2 0 248.317 1.734 20 0 BDADRP C[C@](CO)(C[NH2+]C1CC[NH2+]CC1)c1ccccc1 ZINC000423112270 387895870 /nfs/dbraw/zinc/89/58/70/387895870.db2.gz RXHUMJOGGZSZJT-OAHLLOKOSA-N 2 0 248.370 1.278 20 0 BDADRP COCC[C@@H]([NH2+]C1CC[NH2+]CC1)C(C)(C)C ZINC000423114149 387896080 /nfs/dbraw/zinc/89/60/80/387896080.db2.gz LOOBQCWXVBJGCZ-GFCCVEGCSA-N 2 0 228.380 1.779 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H](C)c1ccncc1 ZINC000643460306 387875521 /nfs/dbraw/zinc/87/55/21/387875521.db2.gz NTWAJUGFYFXDST-SDDRHHMPSA-N 2 0 221.348 1.901 20 0 BDADRP CC(C)(CN[C@@H]1CCC[C@H]1[NH3+])C[NH+]1CCCC1 ZINC000423077247 387876043 /nfs/dbraw/zinc/87/60/43/387876043.db2.gz LUCQYNJURSBHAU-CHWSQXEVSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000423083280 387877702 /nfs/dbraw/zinc/87/77/02/387877702.db2.gz FSPGTWMHTICAGB-YNEHKIRRSA-N 2 0 241.423 1.822 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@@H](C)C[C@@H](C)[NH3+] ZINC000423083346 387878004 /nfs/dbraw/zinc/87/80/04/387878004.db2.gz FWONTDHRZDFYDF-GRYCIOLGSA-N 2 0 215.385 1.432 20 0 BDADRP C[C@@H](O)CCC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423084203 387879089 /nfs/dbraw/zinc/87/90/89/387879089.db2.gz HSCUBWNSOWLDLL-GRYCIOLGSA-N 2 0 214.353 1.268 20 0 BDADRP CSC1(C[NH2+][C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000423086644 387880292 /nfs/dbraw/zinc/88/02/92/387880292.db2.gz MJFDWVZGOWSPQG-RKDXNWHRSA-N 2 0 202.367 1.597 20 0 BDADRP CCN(CC)[C@H](C)C[NH2+][C@H](C)CCCC[NH3+] ZINC000423085815 387880776 /nfs/dbraw/zinc/88/07/76/387880776.db2.gz LJKMBAHEHDUCPJ-CHWSQXEVSA-N 2 0 229.412 1.824 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423086219 387881539 /nfs/dbraw/zinc/88/15/39/387881539.db2.gz MKYBVLLMBAHOBN-MGPQQGTHSA-N 2 0 241.423 1.837 20 0 BDADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])C1 ZINC000423092837 387883647 /nfs/dbraw/zinc/88/36/47/387883647.db2.gz DPWGNUYRFPDBQR-QCNOEVLYSA-N 2 0 242.363 1.434 20 0 BDADRP Cc1csc(CC[NH2+][C@H](C)C[C@@H](C)[NH3+])n1 ZINC000643460676 387885418 /nfs/dbraw/zinc/88/54/18/387885418.db2.gz CLQXORAIXOIFIK-RKDXNWHRSA-N 2 0 227.377 1.709 20 0 BDADRP C[C@H]([NH2+][C@@H](CO)CCC(C)(C)C)C1C[NH2+]C1 ZINC000423093820 387885715 /nfs/dbraw/zinc/88/57/15/387885715.db2.gz INTOZAAKNCDXLN-CMPLNLGQSA-N 2 0 228.380 1.371 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000423098513 387886909 /nfs/dbraw/zinc/88/69/09/387886909.db2.gz CYSIRUYQPNAJKG-QWHCGFSZSA-N 2 0 244.342 1.575 20 0 BDADRP C[C@@H](O)CC(C)(C)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000393689806 387888191 /nfs/dbraw/zinc/88/81/91/387888191.db2.gz DNKQZPWOZJUMGF-NWDGAFQWSA-N 2 0 230.396 1.891 20 0 BDADRP C[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000423102293 387889374 /nfs/dbraw/zinc/88/93/74/387889374.db2.gz DYPDRNIJCPWMMA-SYQHCUMBSA-N 2 0 240.391 1.637 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CCCOC1 ZINC000423119327 387900301 /nfs/dbraw/zinc/90/03/01/387900301.db2.gz DPFROPYQVJFBJI-SDDRHHMPSA-N 2 0 212.337 1.143 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc2cc[nH]c2n1 ZINC000423120194 387900441 /nfs/dbraw/zinc/90/04/41/387900441.db2.gz FWZKDRHMFKKQPL-YPMHNXCESA-N 2 0 244.342 1.780 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@H](F)C1)[C@H]1CCCC[NH2+]1 ZINC000423120085 387901251 /nfs/dbraw/zinc/90/12/51/387901251.db2.gz GEDONRQCRDQJGM-NNYUYHANSA-N 2 0 214.328 1.997 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc2cc[nH]c2n1 ZINC000423120193 387901664 /nfs/dbraw/zinc/90/16/64/387901664.db2.gz FWZKDRHMFKKQPL-WCQYABFASA-N 2 0 244.342 1.780 20 0 BDADRP COCC(C)(C)C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000423123833 387902279 /nfs/dbraw/zinc/90/22/79/387902279.db2.gz FIGBBCICXFGZPD-VXGBXAGGSA-N 2 0 228.380 1.637 20 0 BDADRP F[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000423123277 387902769 /nfs/dbraw/zinc/90/27/69/387902769.db2.gz KXPJWHHWZCIBJZ-GMTAPVOTSA-N 2 0 200.301 1.609 20 0 BDADRP CCCC[N@H+](C)C[C@@H](C)N[C@@H](C)C1C[NH2+]C1 ZINC000423123854 387903742 /nfs/dbraw/zinc/90/37/42/387903742.db2.gz NOVPWLIEGXPVNJ-NEPJUHHUSA-N 2 0 227.396 1.304 20 0 BDADRP COc1ccncc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000423127129 387905599 /nfs/dbraw/zinc/90/55/99/387905599.db2.gz JIJPPLHBUACAPM-ZYHUDNBSSA-N 2 0 235.331 1.307 20 0 BDADRP C[C@H]([NH2+]C[C@H]1COc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000423125961 387905690 /nfs/dbraw/zinc/90/56/90/387905690.db2.gz RAXTUHUCWIZRQS-XQQFMLRXSA-N 2 0 246.354 1.750 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000423130987 387907018 /nfs/dbraw/zinc/90/70/18/387907018.db2.gz HIZQBVKTZJGBOT-UONOGXRCSA-N 3 0 239.407 1.722 20 0 BDADRP CCCC[N@H+](C)C[C@@H](C)N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423129433 387907734 /nfs/dbraw/zinc/90/77/34/387907734.db2.gz XAHBDMJPFGQXQI-RDBSUJKOSA-N 2 0 241.423 1.837 20 0 BDADRP C1C[NH2+][C@H]([C@@H]2CCC[C@@H]2[NH2+][C@H]2CCCOC2)C1 ZINC000423133118 387910390 /nfs/dbraw/zinc/91/03/90/387910390.db2.gz VLLHPIXBQIXUPB-XUXIUFHCSA-N 2 0 238.375 1.676 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000423131752 387910484 /nfs/dbraw/zinc/91/04/84/387910484.db2.gz IKQYVZSMZGIQFZ-AEJSXWLSSA-N 2 0 223.320 1.564 20 0 BDADRP CC[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)OC ZINC000423133826 387912270 /nfs/dbraw/zinc/91/22/70/387912270.db2.gz DDAXNKAQAWMBJM-TUAOUCFPSA-N 2 0 214.353 1.389 20 0 BDADRP CC[C@H](C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])OC ZINC000423135756 387914000 /nfs/dbraw/zinc/91/40/00/387914000.db2.gz GMHWHMABMWUBOK-IJLUTSLNSA-N 2 0 214.353 1.661 20 0 BDADRP COc1ccncc1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000423137712 387915858 /nfs/dbraw/zinc/91/58/58/387915858.db2.gz WYFIGJAOSUVJCV-AAEUAGOBSA-N 2 0 249.358 1.697 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@@H](CO)C2CCCC2)CC1 ZINC000423139454 387915881 /nfs/dbraw/zinc/91/58/81/387915881.db2.gz KSNZJJNMWFGAJM-UBHUBRDASA-N 2 0 240.391 1.645 20 0 BDADRP Cc1cccnc1C(C)(C)C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000423138010 387916315 /nfs/dbraw/zinc/91/63/15/387916315.db2.gz ISZZGAVIIHDJNA-GFCCVEGCSA-N 2 0 247.386 1.865 20 0 BDADRP O[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423157107 387937237 /nfs/dbraw/zinc/93/72/37/387937237.db2.gz AHKJAXNJDIJJKY-OBPIAQAESA-N 2 0 224.348 1.020 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000423156515 387937338 /nfs/dbraw/zinc/93/73/38/387937338.db2.gz LBWSUOVLQNIXAT-UPJWGTAASA-N 2 0 228.380 1.787 20 0 BDADRP CC/C=C\C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000423156251 387933700 /nfs/dbraw/zinc/93/37/00/387933700.db2.gz KUYFSCJUBAJBSR-PWUVMTTMSA-N 2 0 212.337 1.295 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000423154844 387935109 /nfs/dbraw/zinc/93/51/09/387935109.db2.gz KDEIHARKUHFWGZ-WISYIIOYSA-N 2 0 214.353 1.253 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1=CCCCC1 ZINC000423148500 387925363 /nfs/dbraw/zinc/92/53/63/387925363.db2.gz VMYDBBNGXBLOLY-FPMFFAJLSA-N 2 0 238.375 1.829 20 0 BDADRP CC[C@H]([NH2+]CC[C@@H](C)CCO)[C@@H]1CCC[NH2+]1 ZINC000423147346 387926296 /nfs/dbraw/zinc/92/62/96/387926296.db2.gz RUFMSFQSDIOCTN-AGIUHOORSA-N 2 0 228.380 1.515 20 0 BDADRP F[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000423148810 387927168 /nfs/dbraw/zinc/92/71/68/387927168.db2.gz WOIGKHNCAVFNGL-MXWKQRLJSA-N 2 0 200.301 1.609 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000423167340 387952230 /nfs/dbraw/zinc/95/22/30/387952230.db2.gz SDWYMJABGNGWHA-RNJOBUHISA-N 2 0 226.364 1.804 20 0 BDADRP CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000423168115 387953245 /nfs/dbraw/zinc/95/32/45/387953245.db2.gz GSZUAXDHCUFGQU-DHGKCCLASA-N 2 0 240.391 1.763 20 0 BDADRP COCC1(C[NH2+][C@@H](C)C[C@H](C)[NH3+])CCCC1 ZINC000423169894 387953880 /nfs/dbraw/zinc/95/38/80/387953880.db2.gz WVRXKOSMDHNEGB-RYUDHWBXSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@H]1CC[NH2+]C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000423158424 387938125 /nfs/dbraw/zinc/93/81/25/387938125.db2.gz WSYPEUIDKOUVIX-WYTNZGFTSA-N 2 0 237.391 1.199 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000423158607 387939213 /nfs/dbraw/zinc/93/92/13/387939213.db2.gz OIQPJEOKJAKADD-JHJVBQTASA-N 2 0 228.380 1.645 20 0 BDADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000423159196 387939625 /nfs/dbraw/zinc/93/96/25/387939625.db2.gz FMZTYCOWCVHJIY-WHOHXGKFSA-N 2 0 212.337 1.412 20 0 BDADRP C[C@H](CCCCO)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423160941 387942105 /nfs/dbraw/zinc/94/21/05/387942105.db2.gz RJHIPQQJWQOXNH-PNESKVBLSA-N 2 0 228.380 1.645 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)[C@H](C)C2C[NH2+]C2)c1 ZINC000424232698 387942289 /nfs/dbraw/zinc/94/22/89/387942289.db2.gz DQZCACDYPQEUQA-SNVBAGLBSA-N 2 0 247.342 1.248 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000423161982 387942718 /nfs/dbraw/zinc/94/27/18/387942718.db2.gz OLFKXRNXOJTZMJ-TUAOUCFPSA-N 2 0 214.353 1.255 20 0 BDADRP CO[C@@H]([C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000423162572 387943163 /nfs/dbraw/zinc/94/31/63/387943163.db2.gz PXACBHLEDNYSOX-XMPFICBZSA-N 2 0 238.375 1.673 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000423162768 387944282 /nfs/dbraw/zinc/94/42/82/387944282.db2.gz PZYKIPCOHVDZGY-SYQHCUMBSA-N 2 0 240.391 1.787 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000423161763 387944503 /nfs/dbraw/zinc/94/45/03/387944503.db2.gz JNYMTTYZXZOIHJ-VXGBXAGGSA-N 3 0 227.396 1.576 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])C1 ZINC000423162973 387945099 /nfs/dbraw/zinc/94/50/99/387945099.db2.gz LYNPKAAZYPLLEX-YTWAJWBKSA-N 2 0 200.326 1.269 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@H](C)C[C@H](C)[NH3+])C1 ZINC000423162974 387945642 /nfs/dbraw/zinc/94/56/42/387945642.db2.gz LYNPKAAZYPLLEX-ZRUFSTJUSA-N 2 0 200.326 1.269 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCOCC1CCCC1 ZINC000423163024 387946310 /nfs/dbraw/zinc/94/63/10/387946310.db2.gz MEBCXHXGCCKHET-QWHCGFSZSA-N 2 0 226.364 1.663 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000423163118 387946335 /nfs/dbraw/zinc/94/63/35/387946335.db2.gz QTEPXAWQKDQFSW-NNYUYHANSA-N 2 0 212.337 1.007 20 0 BDADRP CC[C@@H]([NH2+]C[C@H](C)CCCO)[C@@H]1CCC[NH2+]1 ZINC000423163149 387946921 /nfs/dbraw/zinc/94/69/21/387946921.db2.gz VATZJBUPTDIXQL-UPJWGTAASA-N 2 0 228.380 1.515 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2[NH3+])C12CCC2 ZINC000423165223 387948230 /nfs/dbraw/zinc/94/82/30/387948230.db2.gz AUXQUBCEJSMQHF-NOOOWODRSA-N 2 0 224.348 1.413 20 0 BDADRP CCC1(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])COC1 ZINC000423166647 387949531 /nfs/dbraw/zinc/94/95/31/387949531.db2.gz VNYWFOBTKAINQV-VXGBXAGGSA-N 2 0 226.364 1.663 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000423166672 387949908 /nfs/dbraw/zinc/94/99/08/387949908.db2.gz VRLUZAMIMVJPDT-LOWDOPEQSA-N 2 0 226.364 1.255 20 0 BDADRP CCC1(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])COC1 ZINC000423166644 387950399 /nfs/dbraw/zinc/95/03/99/387950399.db2.gz VNYWFOBTKAINQV-NEPJUHHUSA-N 2 0 226.364 1.663 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1NCC[N@@H+]1CCCC1(C)C ZINC000423171330 387956515 /nfs/dbraw/zinc/95/65/15/387956515.db2.gz ZVABEJWSWUQHHJ-CHWSQXEVSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)[C@H]1C[C@H]1C ZINC000321140189 387951519 /nfs/dbraw/zinc/95/15/19/387951519.db2.gz VCZYUSSGCRETCA-RDBSUJKOSA-N 2 0 239.407 1.258 20 0 BDADRP CO[C@@H]1C[C@@H]([NH2+][C@H](C)CCC[NH3+])C12CCC2 ZINC000423171624 387958735 /nfs/dbraw/zinc/95/87/35/387958735.db2.gz PFTHLSSDXWMAGT-IJLUTSLNSA-N 2 0 226.364 1.661 20 0 BDADRP COCC[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423172372 387959003 /nfs/dbraw/zinc/95/90/03/387959003.db2.gz SMOBSKQHIRILRP-YNEHKIRRSA-N 2 0 228.380 1.766 20 0 BDADRP CC(C)[C@@H](C)[NH2+]CCCC[NH+]1CCOCC1 ZINC000158757466 387962888 /nfs/dbraw/zinc/96/28/88/387962888.db2.gz YFEKTDXLGNUQRS-CYBMUJFWSA-N 2 0 228.380 1.733 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)[C@@H](C)O1 ZINC000423178251 387963247 /nfs/dbraw/zinc/96/32/47/387963247.db2.gz IFODFJFSKHUZAQ-DHGKCCLASA-N 2 0 240.391 1.778 20 0 BDADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)C1(C)CC1 ZINC000423177789 387963276 /nfs/dbraw/zinc/96/32/76/387963276.db2.gz JLLCAMQTSNCOFD-LBPRGKRZSA-N 2 0 225.380 1.060 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000423178177 387964578 /nfs/dbraw/zinc/96/45/78/387964578.db2.gz HWCBZQNRFVFMRN-WISYIIOYSA-N 2 0 220.316 1.853 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CS[C@H](C)C1 ZINC000423179717 387966115 /nfs/dbraw/zinc/96/61/15/387966115.db2.gz JVCLDKRTELVFPO-AXTSPUMRSA-N 2 0 202.367 1.596 20 0 BDADRP C[C@H]([NH2+]CCC[NH3+])c1cccc(-n2ccnn2)c1 ZINC000423183227 387967513 /nfs/dbraw/zinc/96/75/13/387967513.db2.gz HKJFHNGNSLUYDJ-NSHDSACASA-N 2 0 245.330 1.267 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CS1 ZINC000423183550 387968275 /nfs/dbraw/zinc/96/82/75/387968275.db2.gz MOPVDDHFZMDUNR-WYUUTHIRSA-N 2 0 228.405 1.858 20 0 BDADRP CO[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000245630830 387968373 /nfs/dbraw/zinc/96/83/73/387968373.db2.gz QCGBXINCNJPCQU-CHWSQXEVSA-N 2 0 226.364 1.582 20 0 BDADRP CC[C@H]([NH2+]CCCN1CC[NH2+]CC1)[C@@H]1C[C@@H]1C ZINC000423185837 387970102 /nfs/dbraw/zinc/97/01/02/387970102.db2.gz NRFAVJAPJUNEQW-MJBXVCDLSA-N 2 0 239.407 1.306 20 0 BDADRP COCC[C@H](C)C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000423171288 387956834 /nfs/dbraw/zinc/95/68/34/387956834.db2.gz NZRJTADURBURKS-XQQFMLRXSA-N 2 0 228.380 1.909 20 0 BDADRP CO[C@@H]1CC[C@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000400498017 387980159 /nfs/dbraw/zinc/98/01/59/387980159.db2.gz HUFIMZOVQFYRRT-KXNHARMFSA-N 2 0 212.337 1.284 20 0 BDADRP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)[C@@H](O)C(C)C ZINC000423190929 387976489 /nfs/dbraw/zinc/97/64/89/387976489.db2.gz SERDGWXZLGSZSY-VOAKCMCISA-N 2 0 228.380 1.512 20 0 BDADRP CC[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccncc1 ZINC000423203440 387988890 /nfs/dbraw/zinc/98/88/90/387988890.db2.gz MSECIQVTEJKKPC-CQSZACIVSA-N 2 0 248.374 1.028 20 0 BDADRP CCOC[C@H]1CCC[C@@H]1[NH2+]CCC[NH2+]C ZINC000423202807 387989521 /nfs/dbraw/zinc/98/95/21/387989521.db2.gz RFEGVYBWHIDXAH-NEPJUHHUSA-N 2 0 214.353 1.391 20 0 BDADRP CCC[NH+]1CCC(N[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000424365432 387990425 /nfs/dbraw/zinc/99/04/25/387990425.db2.gz GYYBBNOGRJHVEC-ZIAGYGMSSA-N 2 0 239.407 1.720 20 0 BDADRP C[C@@H]([NH3+])[C@@H](C)c1nc(C2([NH3+])CCCCC2)no1 ZINC000424340738 387982097 /nfs/dbraw/zinc/98/20/97/387982097.db2.gz HITHXXVGQQYIKN-RKDXNWHRSA-N 2 0 238.335 1.638 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]CCC[NH2+]C)C12CCC2 ZINC000423197679 387983310 /nfs/dbraw/zinc/98/33/10/387983310.db2.gz ANWMBBUFCMRWMQ-VXGBXAGGSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000420405394 387999151 /nfs/dbraw/zinc/99/91/51/387999151.db2.gz MTHYODRXRPYFTF-OCCSQVGLSA-N 3 0 239.407 1.293 20 0 BDADRP COCCC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420407808 387999709 /nfs/dbraw/zinc/99/97/09/387999709.db2.gz VMBOFTCCXKINIX-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP CC[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000424385594 388001042 /nfs/dbraw/zinc/00/10/42/388001042.db2.gz WMGSHGIDAMYLEV-PPCPHDFISA-N 2 0 208.349 1.905 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](O)C2(C)C)[C@@H](C)C1 ZINC000245992394 388001257 /nfs/dbraw/zinc/00/12/57/388001257.db2.gz QXJYHZGGAVSNPG-WUHRBBMRSA-N 2 0 240.391 1.466 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CCC1)C1C[NH2+]C1 ZINC000424385907 388002108 /nfs/dbraw/zinc/00/21/08/388002108.db2.gz WXPBWSCRTBAETD-GAFUQQFSSA-N 2 0 208.349 1.620 20 0 BDADRP C[C@H]([NH3+])CCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423225427 388007212 /nfs/dbraw/zinc/00/72/12/388007212.db2.gz MTURYUYKWFQINF-XDTLVQLUSA-N 2 0 219.332 1.458 20 0 BDADRP C[NH+](C)CCNC1CC[NH+](CC2CC2)CC1 ZINC000309676165 388009069 /nfs/dbraw/zinc/00/90/69/388009069.db2.gz XUEMCQAIGOJGQS-UHFFFAOYSA-N 2 0 225.380 1.012 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](C)COC)C1 ZINC000309671742 388010650 /nfs/dbraw/zinc/01/06/50/388010650.db2.gz WFZZUAOJLDDSHW-CHWSQXEVSA-N 2 0 228.380 1.590 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[NH2+]C1 ZINC000423215784 387996831 /nfs/dbraw/zinc/99/68/31/387996831.db2.gz OVPFNSUURLNVGT-TUAOUCFPSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H](NC[C@@H]([NH3+])c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000423241586 388023700 /nfs/dbraw/zinc/02/37/00/388023700.db2.gz DHXWAKYHQVPOKZ-IACUBPJLSA-N 2 0 233.359 1.417 20 0 BDADRP [NH3+][C@@H]1C[C@H](NC[C@H]2CCC[NH2+]2)c2ccccc21 ZINC000423230491 388015865 /nfs/dbraw/zinc/01/58/65/388015865.db2.gz DTECSZIJYKTCNH-HONMWMINSA-N 2 0 231.343 1.473 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)[C@@H]1CCCC[NH2+]1 ZINC000423238449 388022184 /nfs/dbraw/zinc/02/21/84/388022184.db2.gz AKEWJBHMQKWAEU-UPJWGTAASA-N 3 0 225.380 1.106 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC000450405331 388035909 /nfs/dbraw/zinc/03/59/09/388035909.db2.gz QFCKBQTZHMXFKH-JTQLQIEISA-N 2 0 232.318 1.915 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccnn1C ZINC000423255988 388036410 /nfs/dbraw/zinc/03/64/10/388036410.db2.gz BDVBUUJYSBSCAA-VXGBXAGGSA-N 2 0 236.363 1.460 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1CCOC ZINC000423255961 388036610 /nfs/dbraw/zinc/03/66/10/388036610.db2.gz BBFUDAZJYOXTMN-YNEHKIRRSA-N 2 0 228.380 1.637 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccn(C)n1 ZINC000423255629 388037038 /nfs/dbraw/zinc/03/70/38/388037038.db2.gz AKHHDPNJLBFJQV-RYUDHWBXSA-N 2 0 236.363 1.460 20 0 BDADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)C[NH2+]C ZINC000423255525 388037061 /nfs/dbraw/zinc/03/70/61/388037061.db2.gz AHNYZVDOVKNEPG-AGIUHOORSA-N 2 0 228.380 1.637 20 0 BDADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ccnn1C ZINC000423270092 388037408 /nfs/dbraw/zinc/03/74/08/388037408.db2.gz GAKUWKOZJJUVHM-TUAOUCFPSA-N 2 0 236.363 1.588 20 0 BDADRP CC(C)C[C@H](C[NH3+])N[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423258615 388039204 /nfs/dbraw/zinc/03/92/04/388039204.db2.gz CCOILPDVXYPRCN-UTUOFQBUSA-N 2 0 213.369 1.090 20 0 BDADRP CCN1C[C@H](C)[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)C1 ZINC000423262518 388039699 /nfs/dbraw/zinc/03/96/99/388039699.db2.gz VORMXFRQHWBEQH-MELADBBJSA-N 2 0 239.407 1.306 20 0 BDADRP CCN1C[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000423262517 388040160 /nfs/dbraw/zinc/04/01/60/388040160.db2.gz VORMXFRQHWBEQH-IHRRRGAJSA-N 2 0 239.407 1.306 20 0 BDADRP CC(C)C[C@H](C[NH3+])N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000423264000 388041511 /nfs/dbraw/zinc/04/15/11/388041511.db2.gz PJYQIRWXMBJKRS-UPJWGTAASA-N 2 0 239.407 1.575 20 0 BDADRP CC(C)[C@@H]([NH3+])C[NH2+][C@H]1CCc2ccccc2OC1 ZINC000423264502 388041932 /nfs/dbraw/zinc/04/19/32/388041932.db2.gz CCTAQHSRTPSENB-KBPBESRZSA-N 2 0 248.370 1.953 20 0 BDADRP C[NH2+]C[C@H](C)CN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000423266132 388043305 /nfs/dbraw/zinc/04/33/05/388043305.db2.gz CWVURPARESZDEN-QNWHQSFQSA-N 2 0 227.396 1.160 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1cnccc1C ZINC000423265661 388044717 /nfs/dbraw/zinc/04/47/17/388044717.db2.gz COCIBYHYXPZFMB-ZYHUDNBSSA-N 2 0 221.348 1.896 20 0 BDADRP Cc1ncc([C@@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)c(C)n1 ZINC000423245089 388027964 /nfs/dbraw/zinc/02/79/64/388027964.db2.gz INHVLQZVPBKJDY-ZWNOBZJWSA-N 2 0 248.374 1.744 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423244981 388028239 /nfs/dbraw/zinc/02/82/39/388028239.db2.gz IGTDZHKWGXYCCX-MQYQWHSLSA-N 3 0 239.407 1.304 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423244983 388028515 /nfs/dbraw/zinc/02/85/15/388028515.db2.gz IGTDZHKWGXYCCX-YIYPIFLZSA-N 3 0 239.407 1.304 20 0 BDADRP CC[C@](C)(O)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000083462127 388052858 /nfs/dbraw/zinc/05/28/58/388052858.db2.gz XBVDHGCKNRCOMM-ZDUSSCGKSA-N 2 0 228.380 1.610 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCC[NH2+]1 ZINC000423275220 388056963 /nfs/dbraw/zinc/05/69/63/388056963.db2.gz MXMAMTUOJHTFFA-RDBSUJKOSA-N 3 0 239.407 1.496 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)CCCOC ZINC000423275518 388057014 /nfs/dbraw/zinc/05/70/14/388057014.db2.gz NFHBUFRTCZGYOL-MNOVXSKESA-N 2 0 202.342 1.247 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)CCCOC ZINC000423275517 388057038 /nfs/dbraw/zinc/05/70/38/388057038.db2.gz NFHBUFRTCZGYOL-GHMZBOCLSA-N 2 0 202.342 1.247 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1cccc(CO)c1 ZINC000423278151 388058415 /nfs/dbraw/zinc/05/84/15/388058415.db2.gz QPESVWQJPHSZGQ-NWDGAFQWSA-N 2 0 236.359 1.685 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423283587 388065008 /nfs/dbraw/zinc/06/50/08/388065008.db2.gz XLYHTBDGYYEJKO-MCIONIFRSA-N 3 0 239.407 1.354 20 0 BDADRP CC(C)N(C)CC[NH2+][C@@H](C)CCCC[NH3+] ZINC000336657196 388065947 /nfs/dbraw/zinc/06/59/47/388065947.db2.gz ASMALJQPMPLDPS-LBPRGKRZSA-N 2 0 215.385 1.434 20 0 BDADRP Cc1nccnc1[C@H](C)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423283973 388067450 /nfs/dbraw/zinc/06/74/50/388067450.db2.gz XVHZPHKGOZLECD-WCQYABFASA-N 2 0 248.374 1.825 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423285425 388069497 /nfs/dbraw/zinc/06/94/97/388069497.db2.gz ZHHUVSSEECRWGD-IJLUTSLNSA-N 2 0 213.369 1.077 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000423285426 388069761 /nfs/dbraw/zinc/06/97/61/388069761.db2.gz ZHHUVSSEECRWGD-QJPTWQEYSA-N 2 0 213.369 1.077 20 0 BDADRP CC(C)([NH3+])C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000423287352 388071338 /nfs/dbraw/zinc/07/13/38/388071338.db2.gz LROFVWNMKASFCE-MXWKQRLJSA-N 2 0 226.364 1.517 20 0 BDADRP COc1ccc(C[C@@H](C)[NH2+]CC(C)(C)[NH3+])cn1 ZINC000423286637 388071649 /nfs/dbraw/zinc/07/16/49/388071649.db2.gz HXLCJOOOGWIOQX-SNVBAGLBSA-N 2 0 237.347 1.348 20 0 BDADRP CCC([NH3+])(CC)CN[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000423286507 388072116 /nfs/dbraw/zinc/07/21/16/388072116.db2.gz HSDDCLGMABBFFB-NEPJUHHUSA-N 2 0 239.407 1.719 20 0 BDADRP CC[C@H](Cn1cncn1)[NH2+]CC([NH3+])(CC)CC ZINC000423288077 388073175 /nfs/dbraw/zinc/07/31/75/388073175.db2.gz QKHOWFLZLBVNIR-LLVKDONJSA-N 2 0 239.367 1.164 20 0 BDADRP CC(C)([NH3+])C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000423288261 388073416 /nfs/dbraw/zinc/07/34/16/388073416.db2.gz RHFFULAWFPKIKF-OUAUKWLOSA-N 2 0 224.348 1.271 20 0 BDADRP CCN1C[C@@H](C)[C@H]([NH2+]CCc2cnc(C)cn2)C1 ZINC000453402738 388073448 /nfs/dbraw/zinc/07/34/48/388073448.db2.gz NPWCBPZUPHZVPJ-BXUZGUMPSA-N 2 0 248.374 1.257 20 0 BDADRP Cc1n[nH]cc1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000084216290 388074773 /nfs/dbraw/zinc/07/47/73/388074773.db2.gz NHXSBEBKGKTSDZ-JQWIXIFHSA-N 2 0 222.336 1.325 20 0 BDADRP COC[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])C(C)C ZINC000084217094 388075390 /nfs/dbraw/zinc/07/53/90/388075390.db2.gz XBXZVYRGFHLZEB-AGIUHOORSA-N 2 0 228.380 1.765 20 0 BDADRP COC[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])C(C)C ZINC000084217091 388075684 /nfs/dbraw/zinc/07/56/84/388075684.db2.gz XBXZVYRGFHLZEB-UPJWGTAASA-N 2 0 228.380 1.765 20 0 BDADRP CCC([NH3+])(CC)C[NH2+][C@@H]1CCOC[C@H]1C ZINC000423292578 388076325 /nfs/dbraw/zinc/07/63/25/388076325.db2.gz NJNQVKNPKOSFQC-GHMZBOCLSA-N 2 0 214.353 1.519 20 0 BDADRP CCC[NH2+]CC[NH2+][C@@H]1CCOC[C@H]1C ZINC000423295498 388077651 /nfs/dbraw/zinc/07/76/51/388077651.db2.gz ASAQUIITJVPZEV-GHMZBOCLSA-N 2 0 200.326 1.001 20 0 BDADRP CC[C@H](COC)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453416367 388077944 /nfs/dbraw/zinc/07/79/44/388077944.db2.gz XKJRVIGGYGWBML-GFCCVEGCSA-N 2 0 228.380 1.875 20 0 BDADRP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H](C)C[NH3+])CC2 ZINC000423297150 388078000 /nfs/dbraw/zinc/07/80/00/388078000.db2.gz IYSDTCSNJZVZMQ-YGRLFVJLSA-N 2 0 234.343 1.867 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000423297019 388079047 /nfs/dbraw/zinc/07/90/47/388079047.db2.gz IJLXFRDJATXRPH-YNEHKIRRSA-N 2 0 227.396 1.611 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@H]1C[N@H+](C)C[C@H]1C ZINC000423298225 388080265 /nfs/dbraw/zinc/08/02/65/388080265.db2.gz NRVCNWSCHPCZNY-UTUOFQBUSA-N 2 0 213.369 1.044 20 0 BDADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCC[C@H]1C1CC1 ZINC000447595103 388080811 /nfs/dbraw/zinc/08/08/11/388080811.db2.gz LCMUAFHEVNDSEK-UONOGXRCSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H](CCO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000085126358 388084469 /nfs/dbraw/zinc/08/44/69/388084469.db2.gz ZLGZLXJEYZNPHV-WODVXLOZSA-N 2 0 226.364 1.220 20 0 BDADRP C[C@@H]1CCC[C@H](C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000085282114 388085891 /nfs/dbraw/zinc/08/58/91/388085891.db2.gz USOUBFKDIALJKA-RQJABVFESA-N 2 0 222.376 1.964 20 0 BDADRP CC[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000160727248 388086087 /nfs/dbraw/zinc/08/60/87/388086087.db2.gz LMBQXJKJYOZTOX-QWHCGFSZSA-N 2 0 228.380 1.611 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@H]2CCCC[C@H]2O)CC1 ZINC000085967547 388097273 /nfs/dbraw/zinc/09/72/73/388097273.db2.gz RVLMQPUHDDNECE-TZMCWYRMSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@H](O)[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000118946269 388100025 /nfs/dbraw/zinc/10/00/25/388100025.db2.gz JBTDPOFJKGJVML-UONOGXRCSA-N 2 0 240.391 1.565 20 0 BDADRP CC(C)C[C@H](C[NH3+])N[C@@H](C)C[C@H](C)[NH3+] ZINC000423268682 388047227 /nfs/dbraw/zinc/04/72/27/388047227.db2.gz VDJIKAREWFVCCK-GARJFASQSA-N 2 0 201.358 1.075 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423272310 388050837 /nfs/dbraw/zinc/05/08/37/388050837.db2.gz JUOMCJIJPVSXPK-XQQFMLRXSA-N 3 0 225.380 1.106 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1cncc(F)c1 ZINC000455637248 388165650 /nfs/dbraw/zinc/16/56/50/388165650.db2.gz IPROODDSFMHUAJ-SNVBAGLBSA-N 2 0 237.322 1.871 20 0 BDADRP CC[C@@H](CO)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000163989669 388120407 /nfs/dbraw/zinc/12/04/07/388120407.db2.gz DTQVZKCLGPXXKM-ZWKOPEQDSA-N 2 0 220.316 1.492 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@H]1CSC[C@H]1C ZINC000449078309 388139727 /nfs/dbraw/zinc/13/97/27/388139727.db2.gz LVYSGETTXODVEH-NEPJUHHUSA-N 2 0 246.420 1.296 20 0 BDADRP CCCCC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104384 388143388 /nfs/dbraw/zinc/14/33/88/388143388.db2.gz LQJKQZFAEQQVLA-UHFFFAOYSA-N 2 0 240.391 1.973 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CCSC2)C[C@H]1[NH3+] ZINC000261528610 135154522 /nfs/dbraw/zinc/15/45/22/135154522.db2.gz MQXPNUCEMJRQNO-OPRDCNLKSA-N 2 0 200.351 1.019 20 0 BDADRP COC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)C(C)C ZINC000336662763 388260972 /nfs/dbraw/zinc/26/09/72/388260972.db2.gz CPKPLUPSNKASLC-UTUOFQBUSA-N 2 0 214.353 1.245 20 0 BDADRP CC(C)[C@H]([NH3+])C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000489468534 388216211 /nfs/dbraw/zinc/21/62/11/388216211.db2.gz IQGOOUDHTHFPLP-GWCFXTLKSA-N 2 0 249.358 1.306 20 0 BDADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CCC1(CO)CC1 ZINC000449579674 388237832 /nfs/dbraw/zinc/23/78/32/388237832.db2.gz IRBASXJKYVJZEP-YPMHNXCESA-N 2 0 238.375 1.221 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000449646339 388247503 /nfs/dbraw/zinc/24/75/03/388247503.db2.gz NDPMFSIHAQCFLD-IJLUTSLNSA-N 2 0 241.379 1.008 20 0 BDADRP CCSCC[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000164791934 388248420 /nfs/dbraw/zinc/24/84/20/388248420.db2.gz BKSDDXDPNYLEPJ-NSHDSACASA-N 2 0 228.405 1.813 20 0 BDADRP COC(=O)C(C)(C)CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414930164 256629654 /nfs/dbraw/zinc/62/96/54/256629654.db2.gz SOKNQEGKDBVYEX-GHMZBOCLSA-N 2 0 242.363 1.435 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H]1COCC1(C)C ZINC000451813585 388297677 /nfs/dbraw/zinc/29/76/77/388297677.db2.gz RGAJWKZKVPSARJ-NEPJUHHUSA-N 2 0 226.364 1.485 20 0 BDADRP C[N@@H+]1CCC[C@H]1CCN1CC[C@](O)(C(F)F)C1 ZINC000451426025 388272350 /nfs/dbraw/zinc/27/23/50/388272350.db2.gz HTXYRYPECDNROV-CMPLNLGQSA-N 2 0 248.317 1.173 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000300376713 388363417 /nfs/dbraw/zinc/36/34/17/388363417.db2.gz JXEBAUYMGZKLKM-WRWGMCAJSA-N 2 0 212.337 1.223 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCOC(C)(C)C)CC[N@@H+]1C ZINC000163719454 388366448 /nfs/dbraw/zinc/36/64/48/388366448.db2.gz HIAMMBXPBMBMSD-NWDGAFQWSA-N 2 0 228.380 1.874 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCCn2cccn2)C1 ZINC000163723505 388367046 /nfs/dbraw/zinc/36/70/46/388367046.db2.gz WKOXTYDTZYMVKW-NEPJUHHUSA-N 2 0 222.336 1.133 20 0 BDADRP CC1(C)[C@H]([NH2+]CCC[NH+]2CCCCC2)C[C@@H]1O ZINC000163874824 388369985 /nfs/dbraw/zinc/36/99/85/388369985.db2.gz BBJWJZJGRNNZFT-OLZOCXBDSA-N 2 0 240.391 1.611 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C2CCC2)C1 ZINC000316130076 388405447 /nfs/dbraw/zinc/40/54/47/388405447.db2.gz HLBLYIBARCHYNE-GRYCIOLGSA-N 2 0 212.337 1.007 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000572722683 388370548 /nfs/dbraw/zinc/37/05/48/388370548.db2.gz LIASZEKWVXCSTO-ZDUSSCGKSA-N 2 0 235.331 1.194 20 0 BDADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC2C[NH2+]C2)C1 ZINC000572749223 388371906 /nfs/dbraw/zinc/37/19/06/388371906.db2.gz KBOTUUDKARUOCN-GXTWGEPZSA-N 2 0 245.370 1.383 20 0 BDADRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]CC2(O)CCCC2)C1 ZINC000519536174 256650506 /nfs/dbraw/zinc/65/05/06/256650506.db2.gz JBWQCSNDUIPBKT-STQMWFEESA-N 2 0 240.391 1.754 20 0 BDADRP [NH3+]CCCC[NH2+]Cc1cc(F)cc(F)c1 ZINC000236210541 388378245 /nfs/dbraw/zinc/37/82/45/388378245.db2.gz FFVXXMKVAVQBGH-UHFFFAOYSA-N 2 0 214.259 1.793 20 0 BDADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@H](C(C)C)[C@@H](C)[NH3+] ZINC000519643289 256654764 /nfs/dbraw/zinc/65/47/64/256654764.db2.gz VXGMNKOABXHCSA-IJLUTSLNSA-N 2 0 243.395 1.095 20 0 BDADRP CC1(F)CC([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000572855788 388381746 /nfs/dbraw/zinc/38/17/46/388381746.db2.gz MIJUYPQHFHOVFS-MFQSTILNSA-N 2 0 200.301 1.737 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H](O)C2CCC2)C1 ZINC000316130082 388406158 /nfs/dbraw/zinc/40/61/58/388406158.db2.gz HLBLYIBARCHYNE-WOPDTQHZSA-N 2 0 212.337 1.007 20 0 BDADRP CC(C)(C[NH3+])C(=O)Nc1cccc(C[NH3+])c1 ZINC000646579098 388388538 /nfs/dbraw/zinc/38/85/38/388388538.db2.gz QQDZRLDPYVWYTR-UHFFFAOYSA-N 2 0 221.304 1.069 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]C[C@H](O)C2CCC2)CC1 ZINC000316216852 388406679 /nfs/dbraw/zinc/40/66/79/388406679.db2.gz REAOMSDTIZLWRI-AWEZNQCLSA-N 2 0 240.391 1.610 20 0 BDADRP Cc1cccnc1CC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000404876741 388439673 /nfs/dbraw/zinc/43/96/73/388439673.db2.gz PGMNULPFWGXHTK-GXTWGEPZSA-N 2 0 233.359 1.650 20 0 BDADRP Cc1cccnc1CC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000404876749 388439818 /nfs/dbraw/zinc/43/98/18/388439818.db2.gz PGMNULPFWGXHTK-TZMCWYRMSA-N 2 0 233.359 1.650 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2COC(C)(C)C2)CC1 ZINC000335658159 388452521 /nfs/dbraw/zinc/45/25/21/388452521.db2.gz WWGFKBNQFWEVRH-LBPRGKRZSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC2=CC[NH+](C)CC2)CC[N@@H+]1C ZINC000335771561 388453469 /nfs/dbraw/zinc/45/34/69/388453469.db2.gz HZGWWEOKHZFDLY-GXTWGEPZSA-N 3 0 237.391 1.321 20 0 BDADRP C[C@H](Cn1ccnc1)[NH2+][C@H]1CSC[C@@H]1C ZINC000296330362 388421875 /nfs/dbraw/zinc/42/18/75/388421875.db2.gz HQETVJZNWBGAKE-AXFHLTTASA-N 2 0 225.361 1.613 20 0 BDADRP CC(C)C[C@@H]1CC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000307821762 388427670 /nfs/dbraw/zinc/42/76/70/388427670.db2.gz VFEDYDJQRFRIDO-AWEZNQCLSA-N 2 0 239.407 1.260 20 0 BDADRP C[C@H]([NH2+]CCCC(C)(C)CO)[C@@H]1CCCC[NH2+]1 ZINC000393425033 388429328 /nfs/dbraw/zinc/42/93/28/388429328.db2.gz LMMAULJKZPHUJN-STQMWFEESA-N 2 0 242.407 1.905 20 0 BDADRP CC[C@@H]([NH3+])C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000166741219 388430311 /nfs/dbraw/zinc/43/03/11/388430311.db2.gz RDQLCMQNZNHFCR-CYBMUJFWSA-N 2 0 249.358 1.467 20 0 BDADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@@H]1C[C@H]1C ZINC000322335337 388432047 /nfs/dbraw/zinc/43/20/47/388432047.db2.gz QCAQVOJFKNFEQM-NQBHXWOUSA-N 2 0 208.349 1.882 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC(C)(C)C(C)(C)O ZINC000393578948 388434593 /nfs/dbraw/zinc/43/45/93/388434593.db2.gz DJADZCGQBBLDGM-RYUDHWBXSA-N 2 0 242.407 1.713 20 0 BDADRP CSC[C@H](O)C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000517127819 388538652 /nfs/dbraw/zinc/53/86/52/388538652.db2.gz PIEGYJCWUBBEPD-GRYCIOLGSA-N 2 0 246.420 1.173 20 0 BDADRP CCC[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)OC ZINC000356337521 388548269 /nfs/dbraw/zinc/54/82/69/388548269.db2.gz QBDDSUPYKHZUFE-RWMBFGLXSA-N 2 0 228.380 1.874 20 0 BDADRP CC[NH+](CC)CCC[N@H+](CC)[C@H](C)CO ZINC000339626974 388486320 /nfs/dbraw/zinc/48/63/20/388486320.db2.gz KFDXPKBWRRBGQR-GFCCVEGCSA-N 2 0 216.369 1.421 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C1CC1 ZINC000340490150 388491567 /nfs/dbraw/zinc/49/15/67/388491567.db2.gz LTZNQJHHCMTYQG-RAIGVLPGSA-N 2 0 226.364 1.484 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]C[C@@]2(C)CCOC2)CC1 ZINC000341648505 388495519 /nfs/dbraw/zinc/49/55/19/388495519.db2.gz ZMAPEAYYWSIOGM-CQSZACIVSA-N 2 0 240.391 1.875 20 0 BDADRP c1cnc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000341879432 388496760 /nfs/dbraw/zinc/49/67/60/388496760.db2.gz UUGHODMPJPHRIA-JSGCOSHPSA-N 2 0 246.358 1.236 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@H]1CCOC1(C)C ZINC000328193319 388586159 /nfs/dbraw/zinc/58/61/59/388586159.db2.gz BCXAJWTXWJLVRC-LBPRGKRZSA-N 2 0 228.380 1.875 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](C[C@H](OC)c2ccccc2)C1 ZINC000379217963 388599696 /nfs/dbraw/zinc/59/96/96/388599696.db2.gz OZFREJGGQSBXTC-HIFRSBDPSA-N 2 0 248.370 1.915 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCOC1 ZINC000246028907 388614484 /nfs/dbraw/zinc/61/44/84/388614484.db2.gz NIMMBYUPDUNYNV-WYUUTHIRSA-N 2 0 212.337 1.094 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC000356874439 388551328 /nfs/dbraw/zinc/55/13/28/388551328.db2.gz QEXZBRIMFJWCSP-JSGCOSHPSA-N 2 0 240.391 1.733 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H](O)Cc2ccccc2)C1 ZINC000521271335 388568347 /nfs/dbraw/zinc/56/83/47/388568347.db2.gz GQYMPYXRLDRSHO-QLFBSQMISA-N 2 0 248.370 1.450 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](C[C@@H]2CCSC2)C1 ZINC000224613549 388667007 /nfs/dbraw/zinc/66/70/07/388667007.db2.gz PGVRWERXTDXRAT-RYUDHWBXSA-N 2 0 228.405 1.800 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000191815703 388670129 /nfs/dbraw/zinc/67/01/29/388670129.db2.gz WXRMCCXGSCPLEA-ZIAGYGMSSA-N 2 0 242.407 1.954 20 0 BDADRP CC[NH+](CC)CCCN1CCC[C@@H](OC)C1 ZINC000191782303 388670781 /nfs/dbraw/zinc/67/07/81/388670781.db2.gz XHFRQCJCOLAUPS-CYBMUJFWSA-N 2 0 228.380 1.829 20 0 BDADRP O[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000328344911 388625766 /nfs/dbraw/zinc/62/57/66/388625766.db2.gz LWIRWLIWONEWIF-REWJHTLYSA-N 2 0 238.375 1.079 20 0 BDADRP C[C@H]1C[C@H](NC[C@@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000154518262 388626437 /nfs/dbraw/zinc/62/64/37/388626437.db2.gz AJSCCWPJWGCKSV-XQQFMLRXSA-N 2 0 225.380 1.153 20 0 BDADRP CC[C@@H]([NH2+]CC[C@@H]1CCCOC1)[C@@H]1CCC[NH2+]1 ZINC000530208672 388626432 /nfs/dbraw/zinc/62/64/32/388626432.db2.gz GOZABVWXQBSAHG-MJBXVCDLSA-N 2 0 240.391 1.923 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC000530209243 388627812 /nfs/dbraw/zinc/62/78/12/388627812.db2.gz INLDJZCHGRYNTQ-NSHDSACASA-N 2 0 210.365 1.964 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CC=CCC1)C1C[NH2+]C1 ZINC000530219928 388631446 /nfs/dbraw/zinc/63/14/46/388631446.db2.gz LHTMLUOYAJLJMU-VXGBXAGGSA-N 2 0 208.349 1.930 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CC=CCC1)C1C[NH2+]C1 ZINC000530219927 388632218 /nfs/dbraw/zinc/63/22/18/388632218.db2.gz LHTMLUOYAJLJMU-RYUDHWBXSA-N 2 0 208.349 1.930 20 0 BDADRP Cc1n[nH]cc1[C@H](C)N[C@@H]1CC[NH2+]C12CCC2 ZINC000530221422 388633277 /nfs/dbraw/zinc/63/32/77/388633277.db2.gz PZXOKMYIRMASIO-JOYOIKCWSA-N 2 0 234.347 1.653 20 0 BDADRP C[C@@H]1C[C@@H](N[C@H]2CC[NH2+]C23CCC3)CC[N@@H+]1C ZINC000530222760 388634586 /nfs/dbraw/zinc/63/45/86/388634586.db2.gz RLYCTXTYNUNXGK-AGIUHOORSA-N 2 0 237.391 1.343 20 0 BDADRP CCOCC[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000246479312 388637935 /nfs/dbraw/zinc/63/79/35/388637935.db2.gz HNOYXUSXEGZNQP-STQMWFEESA-N 2 0 228.380 1.685 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@]23C[C@H]2COC3(C)C)CC[NH2+]1 ZINC000530244719 388639203 /nfs/dbraw/zinc/63/92/03/388639203.db2.gz MZELWGZDSCAZNW-NRWUCQMLSA-N 2 0 238.375 1.532 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)CC[NH2+]1 ZINC000530245087 388639253 /nfs/dbraw/zinc/63/92/53/388639253.db2.gz SSRBUQXHDGVEHA-FRRDWIJNSA-N 3 0 237.391 1.249 20 0 BDADRP CCOC[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000222991076 388647068 /nfs/dbraw/zinc/64/70/68/388647068.db2.gz UVQUYAJAHVVLPX-AXFHLTTASA-N 2 0 200.326 1.271 20 0 BDADRP C[C@H](CC[NH2+][C@@H](C)[C@H](C)O)[NH+]1CCCCC1 ZINC000516564373 388659347 /nfs/dbraw/zinc/65/93/47/388659347.db2.gz BVNZABOQVPBDRG-AGIUHOORSA-N 2 0 228.380 1.610 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1cscn1 ZINC000124198398 388661415 /nfs/dbraw/zinc/66/14/15/388661415.db2.gz HRVZGNMDGYFDEX-JQWIXIFHSA-N 2 0 239.388 1.615 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCSC2)C1 ZINC000250557656 388738052 /nfs/dbraw/zinc/73/80/52/388738052.db2.gz BMWVBTQUBNVMLF-NEPJUHHUSA-N 2 0 228.405 1.813 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCCO1 ZINC000250862117 388741139 /nfs/dbraw/zinc/74/11/39/388741139.db2.gz QLFTYWJZDOZHEF-QJPTWQEYSA-N 2 0 212.337 1.273 20 0 BDADRP C[C@@H](C[NH+](C)C)N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227542950 388752234 /nfs/dbraw/zinc/75/22/34/388752234.db2.gz CAGDPJHWDCHYHU-GDLCADMTSA-N 2 0 233.359 1.671 20 0 BDADRP CC[C@H](O)C[NH2+][C@@H](C)C(C)(C)C[NH+](C)C ZINC000564204233 388687496 /nfs/dbraw/zinc/68/74/96/388687496.db2.gz OJBQWYIBFQENCO-QWRGUYRKSA-N 2 0 216.369 1.323 20 0 BDADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000423500190 388692427 /nfs/dbraw/zinc/69/24/27/388692427.db2.gz IHPFNIDBQWPBIQ-MGAJPHDKSA-N 2 0 208.349 1.892 20 0 BDADRP C[C@@H]1CC(O)C[C@@H](C)[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000248734736 388692418 /nfs/dbraw/zinc/69/24/18/388692418.db2.gz BSCBFNJPFCSRII-JHJVBQTASA-N 2 0 240.391 1.704 20 0 BDADRP C[C@@H]([NH2+]C[C@H](C)O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000249385214 388719608 /nfs/dbraw/zinc/71/96/08/388719608.db2.gz BIOQTTJBFYCJEW-XQQFMLRXSA-N 2 0 240.391 1.610 20 0 BDADRP CC[C@H](O)C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000253037926 388799194 /nfs/dbraw/zinc/79/91/94/388799194.db2.gz YSYJIDAWXDDHMJ-XQQFMLRXSA-N 2 0 228.380 1.658 20 0 BDADRP C[NH+]1CCC(CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000229935970 388805511 /nfs/dbraw/zinc/80/55/11/388805511.db2.gz RRGDXJZHSPBHLQ-KGLIPLIRSA-N 3 0 239.407 1.578 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000228065960 388767413 /nfs/dbraw/zinc/76/74/13/388767413.db2.gz MFIBJVDGBHCERW-UKKRHICBSA-N 2 0 200.326 1.005 20 0 BDADRP CC(C)[C@H](CNC(N)=[NH2+])[NH+]1CCCCCC1 ZINC000303254799 388854716 /nfs/dbraw/zinc/85/47/16/388854716.db2.gz FDHLNJYRQYJKPS-NSHDSACASA-N 2 0 226.368 1.370 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCCn2ccnc2)CC[N@@H+]1C ZINC000129503892 388849792 /nfs/dbraw/zinc/84/97/92/388849792.db2.gz VCJYLTAWLZHEQU-STQMWFEESA-N 2 0 236.363 1.346 20 0 BDADRP CO[C@@H]1CC[C@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000564440437 388876130 /nfs/dbraw/zinc/87/61/30/388876130.db2.gz FHHOQZCXAZQGPQ-QNWHQSFQSA-N 2 0 226.364 1.532 20 0 BDADRP C[NH2+]C[C@@](C)(O)C[N@H+](C)CC1CCCC1 ZINC000565092963 388913728 /nfs/dbraw/zinc/91/37/28/388913728.db2.gz NOVAIWVRNJRQQV-GFCCVEGCSA-N 2 0 214.353 1.079 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@H](OC(F)F)C2)CC[NH2+]1 ZINC000565351346 388938537 /nfs/dbraw/zinc/93/85/37/388938537.db2.gz JYRXRUPYRDAEKG-VWYCJHECSA-N 2 0 248.317 1.688 20 0 BDADRP COC[C@H](C)C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000565880064 388974087 /nfs/dbraw/zinc/97/40/87/388974087.db2.gz FQIAHGBCIOXXJV-VXGBXAGGSA-N 2 0 214.353 1.248 20 0 BDADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccccn1 ZINC000271834797 389026134 /nfs/dbraw/zinc/02/61/34/389026134.db2.gz FOMAMTWBXMAPLD-LBPRGKRZSA-N 2 0 231.343 1.994 20 0 BDADRP Cc1cc(N2CCCC[C@H]2C[NH3+])cc[nH+]1 ZINC000107198569 132365535 /nfs/dbraw/zinc/36/55/35/132365535.db2.gz AJNIRSYTUDRRNR-LBPRGKRZSA-N 2 0 205.305 1.708 20 0 BDADRP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H]1CCC[NH2+]1 ZINC000400424158 533341775 /nfs/dbraw/zinc/34/17/75/533341775.db2.gz XVIDECCDWRZQPC-JWURUJNWSA-N 2 0 237.391 1.342 20 0 BDADRP C[C@@H](NCC[NH+]1CCCCCC1)[C@@H]1CCC[NH2+]1 ZINC000400704788 533395827 /nfs/dbraw/zinc/39/58/27/533395827.db2.gz KQLLEOLCZGBVOZ-KGLIPLIRSA-N 2 0 239.407 1.593 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)[C@H]1CCCCO1 ZINC000400377114 533502227 /nfs/dbraw/zinc/50/22/27/533502227.db2.gz IYKRVJPYXIVNFM-QNWHQSFQSA-N 2 0 226.364 1.532 20 0 BDADRP Cc1cc(N2C[C@H](C)[N@@H+](C)C[C@H]2C)cc[nH+]1 ZINC000336626367 132249197 /nfs/dbraw/zinc/24/91/97/132249197.db2.gz XBVVYVYSCAOOSS-NWDGAFQWSA-N 2 0 219.332 1.919 20 0 BDADRP C[C@@H]1CN(CC[C@H]2CCC[NH+]2C)[C@@H](C)C[N@@H+]1C ZINC000351925669 134007305 /nfs/dbraw/zinc/00/73/05/134007305.db2.gz FHQYIAVJIWIBDQ-HZSPNIEDSA-N 2 0 239.407 1.495 20 0 BDADRP Cc1n[nH]cc1CN1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000335970975 134029677 /nfs/dbraw/zinc/02/96/77/134029677.db2.gz JORNIBVPOPWOOP-YPMHNXCESA-N 2 0 234.347 1.244 20 0 BDADRP Cc1n[nH]cc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000336021859 134056217 /nfs/dbraw/zinc/05/62/17/134056217.db2.gz OWBFKQPRYOUQAX-CYBMUJFWSA-N 2 0 248.374 1.540 20 0 BDADRP C(C[NH+]1CCC2(CC[NH2+]C2)CC1)[C@@H]1CCOC1 ZINC000336127227 134093394 /nfs/dbraw/zinc/09/33/94/134093394.db2.gz RNBSGIBITQIZDO-CYBMUJFWSA-N 2 0 238.375 1.489 20 0 BDADRP C(C[NH+]1CCC2(CC[NH2+]C2)CC1)[C@H]1CCOC1 ZINC000336127228 134093443 /nfs/dbraw/zinc/09/34/43/134093443.db2.gz RNBSGIBITQIZDO-ZDUSSCGKSA-N 2 0 238.375 1.489 20 0 BDADRP CC[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](C)O ZINC000352210152 134107358 /nfs/dbraw/zinc/10/73/58/134107358.db2.gz FPNDAGPFIBDMBS-QWHCGFSZSA-N 2 0 228.380 1.564 20 0 BDADRP CC[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](C)O ZINC000352210151 134107404 /nfs/dbraw/zinc/10/74/04/134107404.db2.gz FPNDAGPFIBDMBS-OLZOCXBDSA-N 2 0 228.380 1.564 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2CCCOC2)C[C@@H]1C[NH3+] ZINC000167594803 134116611 /nfs/dbraw/zinc/11/66/11/134116611.db2.gz CUAWNJXQLKRCRC-AGIUHOORSA-N 2 0 226.364 1.330 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)C(C)C)[C@H](C)C1 ZINC000167773439 134154157 /nfs/dbraw/zinc/15/41/57/134154157.db2.gz GIOJVDYANHRWAO-AGIUHOORSA-N 2 0 228.380 1.323 20 0 BDADRP c1coc(CC[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000168718710 134246492 /nfs/dbraw/zinc/24/64/92/134246492.db2.gz ARMHJSKVYPOPCA-NSHDSACASA-N 2 0 208.305 1.554 20 0 BDADRP CC[N@H+](CCN[C@H]1CCC[C@@H]1C[NH3+])C1CC1 ZINC000217506267 134248804 /nfs/dbraw/zinc/24/88/04/134248804.db2.gz XGKPLESKBAKPOU-YPMHNXCESA-N 2 0 225.380 1.188 20 0 BDADRP C[C@H](O)C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000169237476 134250062 /nfs/dbraw/zinc/25/00/62/134250062.db2.gz USSFRRDPOWPLCP-KPXOXKRLSA-N 2 0 206.289 1.102 20 0 BDADRP Cc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000085282164 134274746 /nfs/dbraw/zinc/27/47/46/134274746.db2.gz URKBYDKATQDOLM-PHIMTYICSA-N 2 0 222.357 1.708 20 0 BDADRP C[NH+](C)CCOCC[NH2+][C@H]1CCC(C)(C)C1 ZINC000219321058 134281631 /nfs/dbraw/zinc/28/16/31/134281631.db2.gz DOVCRRBLRMEWJT-LBPRGKRZSA-N 2 0 228.380 1.733 20 0 BDADRP Cc1ccc(C[NH2+][C@H](C)CC[NH3+])cc1F ZINC000220523451 134309467 /nfs/dbraw/zinc/30/94/67/134309467.db2.gz QMRBKRKWKZXHGP-SNVBAGLBSA-N 2 0 210.296 1.961 20 0 BDADRP Cn1cc([C@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)cn1 ZINC000178981594 134314249 /nfs/dbraw/zinc/31/42/49/134314249.db2.gz ABXPVQVTOXTWLP-ZDUSSCGKSA-N 2 0 248.374 1.209 20 0 BDADRP CC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000220946870 134315316 /nfs/dbraw/zinc/31/53/16/134315316.db2.gz NETAXUXTSYKSQU-RWMBFGLXSA-N 2 0 226.364 1.173 20 0 BDADRP c1cn(CCC[N@@H+]2CCOC3(CCC3)C2)cn1 ZINC000179655292 134323167 /nfs/dbraw/zinc/32/31/67/134323167.db2.gz KCQDDPUEIZNDBD-UHFFFAOYSA-N 2 0 235.331 1.528 20 0 BDADRP C1CC1[N@@H+]1CC[C@H](N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000222048369 134329499 /nfs/dbraw/zinc/32/94/99/134329499.db2.gz VXWBCPPDCUIEKU-VNHYZAJKSA-N 2 0 249.402 1.440 20 0 BDADRP CCC[C@H](CCO)C[NH2+]C1CC[NH+](CC)CC1 ZINC000224368623 134346523 /nfs/dbraw/zinc/34/65/23/134346523.db2.gz RYTJGTQVCBSIQP-CYBMUJFWSA-N 2 0 242.407 1.859 20 0 BDADRP C[C@@H](CNC1CC[NH+](C)CC1)[N@H+](C)C1CC1 ZINC000226319534 134360410 /nfs/dbraw/zinc/36/04/10/134360410.db2.gz HNXLRVKTAVKTPV-NSHDSACASA-N 2 0 225.380 1.153 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000226592779 134367366 /nfs/dbraw/zinc/36/73/66/134367366.db2.gz DXXHYVHQPTZEQI-WOPDTQHZSA-N 2 0 214.353 1.484 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H](CO)Cc1ccccc1 ZINC000227087652 134374833 /nfs/dbraw/zinc/37/48/33/134374833.db2.gz AFJDUXITULVNIY-ZNMIVQPWSA-N 2 0 248.370 1.307 20 0 BDADRP Cn1ccnc1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000227327248 134377975 /nfs/dbraw/zinc/37/79/75/134377975.db2.gz DUVBABZAUSXWLV-UHFFFAOYSA-N 2 0 236.363 1.242 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+]C2CCOCC2)CC1 ZINC000227327309 134378280 /nfs/dbraw/zinc/37/82/80/134378280.db2.gz CYVPAIUXVBTSNX-UHFFFAOYSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000229291672 134443549 /nfs/dbraw/zinc/44/35/49/134443549.db2.gz VFSPIWKNFLVYHI-FRRDWIJNSA-N 2 0 226.364 1.221 20 0 BDADRP CC1CCC([NH2+]CCOCC[NH+](C)C)CC1 ZINC000231675880 134542635 /nfs/dbraw/zinc/54/26/35/134542635.db2.gz YJBSIFXUJVAHCN-UHFFFAOYSA-N 2 0 228.380 1.733 20 0 BDADRP CCC1(C[NH2+][C@H](CCC[NH3+])COC)CCC1 ZINC000232996292 134557760 /nfs/dbraw/zinc/55/77/60/134557760.db2.gz SUVIHBWRHSHPNV-GFCCVEGCSA-N 2 0 228.380 1.910 20 0 BDADRP CC[C@@H](COC)[NH2+]C1CCC([NH3+])CC1 ZINC000070624373 134997859 /nfs/dbraw/zinc/99/78/59/134997859.db2.gz HYUSZZIXPAPHMK-YVNMAJEFSA-N 2 0 200.326 1.271 20 0 BDADRP CC[C@H](COC)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000070656799 135007814 /nfs/dbraw/zinc/00/78/14/135007814.db2.gz YOZXIHJQUCYXSM-CHWSQXEVSA-N 2 0 228.380 1.733 20 0 BDADRP C[NH+](C)CCC[NH2+]C[C@H]1CCSC1 ZINC000163607251 135013517 /nfs/dbraw/zinc/01/35/17/135013517.db2.gz BPSNQAYULFKQMO-SNVBAGLBSA-N 2 0 202.367 1.281 20 0 BDADRP Cc1cc(N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)cc[nH+]1 ZINC000248665017 135018391 /nfs/dbraw/zinc/01/83/91/135018391.db2.gz LBDCLPIPRXHCAW-CHWSQXEVSA-N 2 0 249.358 1.281 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@@H](O)C2)[C@@H](C)C1 ZINC000249042914 135031315 /nfs/dbraw/zinc/03/13/15/135031315.db2.gz HAAQTFBOXZUNJQ-DGAVXFQQSA-N 2 0 240.391 1.467 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCOCC2)C1 ZINC000250314064 135051203 /nfs/dbraw/zinc/05/12/03/135051203.db2.gz MFWFTJOMEKSMBP-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP COC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(C)C ZINC000251357631 135068706 /nfs/dbraw/zinc/06/87/06/135068706.db2.gz UPULBHXGRKMVNR-RDBSUJKOSA-N 2 0 240.391 1.874 20 0 BDADRP CC(C)C[C@H]([NH3+])C[N@H+](C)C[C@H]1CCCOC1 ZINC000251416492 135068817 /nfs/dbraw/zinc/06/88/17/135068817.db2.gz OZTUSJLDRGSXEU-OLZOCXBDSA-N 2 0 228.380 1.718 20 0 BDADRP C[C@@H]1C[C@H](C)C[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000251720086 135075666 /nfs/dbraw/zinc/07/56/66/135075666.db2.gz BZNDIWKLEZLXFA-XQQFMLRXSA-N 2 0 210.365 1.964 20 0 BDADRP C[N@H+](CCOCC[NH3+])CC1CCCC1 ZINC000086435781 135084116 /nfs/dbraw/zinc/08/41/16/135084116.db2.gz JWUDKCLAZKGHJK-UHFFFAOYSA-N 2 0 200.326 1.084 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000086435889 135084816 /nfs/dbraw/zinc/08/48/16/135084816.db2.gz LHGKOMWKWQKSLJ-SECBINFHSA-N 2 0 240.269 1.236 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000086435884 135084865 /nfs/dbraw/zinc/08/48/65/135084865.db2.gz FYNNBBDYPQHRAH-NWDGAFQWSA-N 2 0 212.337 1.226 20 0 BDADRP CCOCC[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000086500995 135087385 /nfs/dbraw/zinc/08/73/85/135087385.db2.gz KKRXMIXOWUASTG-OLZOCXBDSA-N 2 0 228.380 1.923 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCCCO1 ZINC000252430359 135089211 /nfs/dbraw/zinc/08/92/11/135089211.db2.gz LKQWPZJICNIJLN-AAVRWANBSA-N 2 0 240.391 1.874 20 0 BDADRP CC(C)OCC[N@H+](C)CC(C)(C)C[NH3+] ZINC000086638353 135091479 /nfs/dbraw/zinc/09/14/79/135091479.db2.gz BXUULUOACCCQAB-UHFFFAOYSA-N 2 0 202.342 1.328 20 0 BDADRP Cc1cccnc1C[NH2+]CC1CC[NH2+]CC1 ZINC000086701158 135094181 /nfs/dbraw/zinc/09/41/81/135094181.db2.gz XZSGQCQGOURVPD-UHFFFAOYSA-N 2 0 219.332 1.479 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1NCCC[NH+]1CCCC1 ZINC000252711980 135100291 /nfs/dbraw/zinc/10/02/91/135100291.db2.gz LDRCCSUBWPXCCT-UONOGXRCSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252711879 135100614 /nfs/dbraw/zinc/10/06/14/135100614.db2.gz KVTXGKIZSLWRPY-QNWHQSFQSA-N 2 0 228.380 1.323 20 0 BDADRP C[NH2+]CCC[N@H+](C)CCC1CCOCC1 ZINC000258814077 135102962 /nfs/dbraw/zinc/10/29/62/135102962.db2.gz SRSSVWWQYMQGFF-UHFFFAOYSA-N 2 0 214.353 1.344 20 0 BDADRP COc1cc(CN2CC[C@@H]([NH3+])C2)ccc1C ZINC000261973515 135112916 /nfs/dbraw/zinc/11/29/16/135112916.db2.gz QNXBEJSFCLSWIZ-GFCCVEGCSA-N 2 0 220.316 1.537 20 0 BDADRP C[C@H]1C[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000252959047 135117399 /nfs/dbraw/zinc/11/73/99/135117399.db2.gz LRUYEFBXEIFNMJ-PBYDBYKOSA-N 2 0 208.349 1.857 20 0 BDADRP CCn1cc(CN[C@H]2CC[N@H+](C)C[C@H]2C)cn1 ZINC000252966623 135118872 /nfs/dbraw/zinc/11/88/72/135118872.db2.gz SVPJGYVXJIWRHV-YPMHNXCESA-N 2 0 236.363 1.333 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)C[C@H]1C ZINC000253069077 135120377 /nfs/dbraw/zinc/12/03/77/135120377.db2.gz LIIJGHWEHZTNSE-JHJVBQTASA-N 2 0 210.365 1.964 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)CC[C@@H]1O ZINC000253176299 135122995 /nfs/dbraw/zinc/12/29/95/135122995.db2.gz FZFDCGUSCCKSTC-MCIONIFRSA-N 2 0 240.391 1.564 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000253245385 135124502 /nfs/dbraw/zinc/12/45/02/135124502.db2.gz GDZHSXZMRVPHJU-JHJVBQTASA-N 2 0 240.391 1.874 20 0 BDADRP CC(C)OCC[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000253266727 135125652 /nfs/dbraw/zinc/12/56/52/135125652.db2.gz XVGASSZFNNERDX-NWDGAFQWSA-N 2 0 214.353 1.328 20 0 BDADRP C[N@H+](CCOCC1CC1)[C@H]1CCC[NH2+]CC1 ZINC000087400254 135128798 /nfs/dbraw/zinc/12/87/98/135128798.db2.gz YAAUPFOQKLCWGV-ZDUSSCGKSA-N 2 0 226.364 1.487 20 0 BDADRP Cc1n[nH]c(C)c1CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257638632 135137670 /nfs/dbraw/zinc/13/76/70/135137670.db2.gz AFXKNIJFQNCALL-CQSZACIVSA-N 2 0 248.374 1.602 20 0 BDADRP c1cncc(CC[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000257701207 135139954 /nfs/dbraw/zinc/13/99/54/135139954.db2.gz QCXQPLGFKCREFB-UHFFFAOYSA-N 2 0 245.370 1.700 20 0 BDADRP c1cncc(CC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000257724703 135140956 /nfs/dbraw/zinc/14/09/56/135140956.db2.gz WGOWFTAFGNBNON-HNNXBMFYSA-N 2 0 245.370 1.700 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](COC)C(C)C)C1 ZINC000087478936 135143687 /nfs/dbraw/zinc/14/36/87/135143687.db2.gz NCJDXNFGOJJOGB-STQMWFEESA-N 2 0 228.380 1.589 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](COC)C(C)C)C1 ZINC000087478933 135144053 /nfs/dbraw/zinc/14/40/53/135144053.db2.gz NCJDXNFGOJJOGB-OLZOCXBDSA-N 2 0 228.380 1.589 20 0 BDADRP COC[C@H](C)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000261545467 135148568 /nfs/dbraw/zinc/14/85/68/135148568.db2.gz KBKSTSGYUIXRSP-RYUDHWBXSA-N 2 0 212.337 1.097 20 0 BDADRP Cc1[nH+]ccc(N[C@H]2CC[NH2+]C2)c1Cl ZINC000261527360 135151011 /nfs/dbraw/zinc/15/10/11/135151011.db2.gz AASLHYPTYOZWGN-QMMMGPOBSA-N 2 0 211.696 1.817 20 0 BDADRP C[C@@H]1CC[N@H+](CC(C)(C)[NH3+])CCS1 ZINC000261527570 135152294 /nfs/dbraw/zinc/15/22/94/135152294.db2.gz CWXRPSOBHLJUHY-SECBINFHSA-N 2 0 202.367 1.551 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCSC1 ZINC000261528601 135154550 /nfs/dbraw/zinc/15/45/50/135154550.db2.gz MNZUIWMKZQMCCZ-GARJFASQSA-N 2 0 214.378 1.599 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000261529072 135154974 /nfs/dbraw/zinc/15/49/74/135154974.db2.gz AHAILEMNOCMUBN-SRVKXCTJSA-N 2 0 214.353 1.255 20 0 BDADRP Cc1ncccc1CN1CC[C@@H]([NH3+])[C@@H]1C ZINC000261529236 135155256 /nfs/dbraw/zinc/15/52/56/135155256.db2.gz AKZTZPOARFOYGF-CMPLNLGQSA-N 2 0 205.305 1.312 20 0 BDADRP COC[C@H](C)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261529102 135155278 /nfs/dbraw/zinc/15/52/78/135155278.db2.gz AHNPPVSHRZWBRZ-NSHDSACASA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCSC1 ZINC000261529454 135155799 /nfs/dbraw/zinc/15/57/99/135155799.db2.gz SGJATRYICFSJCS-MXWKQRLJSA-N 2 0 214.378 1.470 20 0 BDADRP CSCC[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261530165 135157717 /nfs/dbraw/zinc/15/77/17/135157717.db2.gz XOBXSIGLXPRMSK-GHMZBOCLSA-N 2 0 216.394 1.669 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccsc3)C[C@@H]12 ZINC000261531456 135159810 /nfs/dbraw/zinc/15/98/10/135159810.db2.gz GOSNKUFOSOYWGI-IJLUTSLNSA-N 2 0 222.357 1.917 20 0 BDADRP CC(C)OCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261531677 135160671 /nfs/dbraw/zinc/16/06/71/135160671.db2.gz HLQRBYTZUPEIBU-RYUDHWBXSA-N 2 0 212.337 1.095 20 0 BDADRP CC(C)COCC[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000261533902 135165939 /nfs/dbraw/zinc/16/59/39/135165939.db2.gz KYZHLJMLJQLVOZ-STQMWFEESA-N 2 0 228.380 1.718 20 0 BDADRP COCC(C)(C)C[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000261534911 135169030 /nfs/dbraw/zinc/16/90/30/135169030.db2.gz NJPZKYIVEGKNRB-QWRGUYRKSA-N 2 0 214.353 1.247 20 0 BDADRP COC[C@@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000261535021 135169042 /nfs/dbraw/zinc/16/90/42/135169042.db2.gz VTJRIAQGNDUQJL-CHWSQXEVSA-N 2 0 226.364 1.344 20 0 BDADRP CC[C@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CCCO1 ZINC000261535505 135169510 /nfs/dbraw/zinc/16/95/10/135169510.db2.gz ZXVGZWMAOHXBOF-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP [NH3+]CC[C@H]1CCC[N@H+](C[C@H]2CCSC2)C1 ZINC000261535804 135170220 /nfs/dbraw/zinc/17/02/20/135170220.db2.gz PGVRWERXTDXRAT-VXGBXAGGSA-N 2 0 228.405 1.800 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@H]2CCSC2)C[C@H]1C[NH3+] ZINC000261535778 135170295 /nfs/dbraw/zinc/17/02/95/135170295.db2.gz PDHGBUKNOZAVBG-IJLUTSLNSA-N 2 0 228.405 1.656 20 0 BDADRP CCS[C@@H]1CC[C@@H]([N@H+](C)C[C@@H](C)[NH3+])C1 ZINC000261538540 135176438 /nfs/dbraw/zinc/17/64/38/135176438.db2.gz YMJFVABIZOGHOM-GMTAPVOTSA-N 2 0 216.394 1.940 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)NCC[N@H+](C)[C@H](C)CC ZINC000261540125 135179185 /nfs/dbraw/zinc/17/91/85/135179185.db2.gz DTOJTHXRXBZCFB-YPMHNXCESA-N 2 0 243.395 1.350 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1(C)C ZINC000261540139 135179299 /nfs/dbraw/zinc/17/92/99/135179299.db2.gz DWJFCBZOYVZYSH-FVCCEPFGSA-N 2 0 240.391 1.907 20 0 BDADRP c1ccc(CC[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261542158 135182471 /nfs/dbraw/zinc/18/24/71/135182471.db2.gz BWNDORPPFRHSFD-LSDHHAIUSA-N 2 0 230.355 1.770 20 0 BDADRP CCC(C)(C)CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000261542020 135182595 /nfs/dbraw/zinc/18/25/95/135182595.db2.gz GIKXCWZHNDMXRY-TXEJJXNPSA-N 2 0 210.365 1.964 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@H]12 ZINC000261542693 135183331 /nfs/dbraw/zinc/18/33/31/135183331.db2.gz CHQAVAFCLSQCNI-KWCYVHTRSA-N 2 0 234.318 1.995 20 0 BDADRP Cc1cnn(CC[N@@H+](C)[C@H]2CCC[NH2+]CC2)c1 ZINC000261543348 135184172 /nfs/dbraw/zinc/18/41/72/135184172.db2.gz CXVNQAOSAYDRJY-ZDUSSCGKSA-N 2 0 236.363 1.265 20 0 BDADRP Cc1cnn(CC[N@@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000261544643 135186058 /nfs/dbraw/zinc/18/60/58/135186058.db2.gz FCKHJUCXVCTTDL-CYBMUJFWSA-N 2 0 236.363 1.252 20 0 BDADRP C([C@H]1CCOC1)[N@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000261544714 135186320 /nfs/dbraw/zinc/18/63/20/135186320.db2.gz ZFNONOWLHVGJMS-QWHCGFSZSA-N 2 0 238.375 1.487 20 0 BDADRP CC[N@H+](CCOCC[NH3+])CCc1ccccc1 ZINC000261548606 135187307 /nfs/dbraw/zinc/18/73/07/135187307.db2.gz JSRMIZCNDDUHIR-UHFFFAOYSA-N 2 0 236.359 1.526 20 0 BDADRP Cn1cc(CC[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cn1 ZINC000261550861 135189921 /nfs/dbraw/zinc/18/99/21/135189921.db2.gz RIZOQUJSELHVMN-MJBXVCDLSA-N 2 0 248.374 1.022 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cccnc1 ZINC000084193915 135191124 /nfs/dbraw/zinc/19/11/24/135191124.db2.gz SUSLHZBVOQSJOM-VXGBXAGGSA-N 2 0 205.305 1.299 20 0 BDADRP CCC1(C[N@@H+]2CC[C@H](C[NH2+]C)C2)CCOCC1 ZINC000261552280 135191186 /nfs/dbraw/zinc/19/11/86/135191186.db2.gz MVTZNLHRQVTHEL-CYBMUJFWSA-N 2 0 240.391 1.735 20 0 BDADRP CSCCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000084216903 135192498 /nfs/dbraw/zinc/19/24/98/135192498.db2.gz HASYXFIFLGRINO-GHMZBOCLSA-N 2 0 216.394 1.847 20 0 BDADRP C[C@H]1CSCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261553209 135192677 /nfs/dbraw/zinc/19/26/77/135192677.db2.gz SIUKBTOPRKZUDD-VXGBXAGGSA-N 2 0 228.405 1.671 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000261559320 135199995 /nfs/dbraw/zinc/19/99/95/135199995.db2.gz TXAUUFNXIRKWLB-IAQYHMDHSA-N 2 0 230.355 1.741 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000261560067 135200174 /nfs/dbraw/zinc/20/01/74/135200174.db2.gz ZMCNCLMPIYBPAL-DGCLKSJQSA-N 2 0 208.349 1.718 20 0 BDADRP COCC1(C[NH2+][C@H]2CCC2(C)C)CC[NH2+]CC1 ZINC000261560229 135200743 /nfs/dbraw/zinc/20/07/43/135200743.db2.gz UPCWXTQZFCMGCM-LBPRGKRZSA-N 2 0 240.391 1.781 20 0 BDADRP Cc1ccncc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261560523 135201228 /nfs/dbraw/zinc/20/12/28/135201228.db2.gz UTAQLBJGYTWVCI-IACUBPJLSA-N 2 0 231.343 1.559 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC000261560932 135202200 /nfs/dbraw/zinc/20/22/00/135202200.db2.gz AJHOVJJGRTYPPN-MFKMUULPSA-N 2 0 222.307 1.913 20 0 BDADRP Cc1ncccc1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000261561431 135202721 /nfs/dbraw/zinc/20/27/21/135202721.db2.gz VLGRFMLBHPUJSX-DGCLKSJQSA-N 2 0 233.359 1.949 20 0 BDADRP Cc1ncccc1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000261561433 135203015 /nfs/dbraw/zinc/20/30/15/135203015.db2.gz VLGRFMLBHPUJSX-YPMHNXCESA-N 2 0 233.359 1.949 20 0 BDADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccn3)C[C@@H]12 ZINC000261561488 135203043 /nfs/dbraw/zinc/20/30/43/135203043.db2.gz APOBXWBPDQGEBP-CYZMBNFOSA-N 2 0 217.316 1.251 20 0 BDADRP CC1(C)C[N@H+](CC2CC[NH2+]CC2)CC[C@@H]1O ZINC000261572423 135215039 /nfs/dbraw/zinc/21/50/39/135215039.db2.gz IDRJXIZKARYKNU-LBPRGKRZSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@H](c1ccccn1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261573407 135215686 /nfs/dbraw/zinc/21/56/86/135215686.db2.gz IUFKMNGLDPXLOR-YPMHNXCESA-N 2 0 219.332 1.813 20 0 BDADRP Cc1ncsc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000084385887 135218084 /nfs/dbraw/zinc/21/80/84/135218084.db2.gz GBCIPCCDNXNANS-SNVBAGLBSA-N 2 0 225.361 1.541 20 0 BDADRP Cc1ncc(C[NH2+]CC[C@@H]2CC[NH2+]C2)s1 ZINC000084385310 135218255 /nfs/dbraw/zinc/21/82/55/135218255.db2.gz TVUQNZNTCFOYGV-JTQLQIEISA-N 2 0 225.361 1.541 20 0 BDADRP Cc1ncccc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000261583869 135225086 /nfs/dbraw/zinc/22/50/86/135225086.db2.gz PHXDRUZNHSNPSU-GFCCVEGCSA-N 2 0 219.332 1.561 20 0 BDADRP Cc1cnn(CC[N@@H+](C)CC(C)(C)C[NH3+])c1 ZINC000261586953 135227886 /nfs/dbraw/zinc/22/78/86/135227886.db2.gz RKEMJVYBNDKBKW-UHFFFAOYSA-N 2 0 224.352 1.108 20 0 BDADRP COCc1cccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000261589240 135230185 /nfs/dbraw/zinc/23/01/85/135230185.db2.gz WDVOPRBXYWBQKU-SWLSCSKDSA-N 2 0 248.370 1.921 20 0 BDADRP C[C@H](O)C[C@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261591164 135231917 /nfs/dbraw/zinc/23/19/17/135231917.db2.gz VCQZCABLUQSLFG-YNEHKIRRSA-N 2 0 226.364 1.221 20 0 BDADRP Cc1[nH+]ccc(N2CCO[C@H](C[NH3+])C2)c1Cl ZINC000261594932 135234961 /nfs/dbraw/zinc/23/49/61/135234961.db2.gz XUMXMCGIIVZDAL-SECBINFHSA-N 2 0 241.722 1.207 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCOCC1CC1 ZINC000261595425 135234963 /nfs/dbraw/zinc/23/49/63/135234963.db2.gz YCIYMDXTJMQHDA-PWSUYJOCSA-N 2 0 212.337 1.082 20 0 BDADRP Cc1nc(C)c(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)s1 ZINC000261596311 135236319 /nfs/dbraw/zinc/23/63/19/135236319.db2.gz YRYHIHWCWMLJAQ-LDYMZIIASA-N 2 0 239.388 1.848 20 0 BDADRP Cc1nc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cs1 ZINC000261598409 135237228 /nfs/dbraw/zinc/23/72/28/135237228.db2.gz ZMXLVMFALZEULS-MVWJERBFSA-N 2 0 237.372 1.621 20 0 BDADRP C[C@@]1(C[N@@H+]2CCC3(C2)CCOCC3)CC[NH2+]C1 ZINC000261546800 135239245 /nfs/dbraw/zinc/23/92/45/135239245.db2.gz HJJRNNYIMYXVJG-CYBMUJFWSA-N 2 0 238.375 1.489 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CCCC2(CC2)C1 ZINC000261547120 135240421 /nfs/dbraw/zinc/24/04/21/135240421.db2.gz LWILBLWGQUSISJ-GFCCVEGCSA-N 2 0 208.349 1.862 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)CN1C[C@@H]1CCC[NH2+]C1 ZINC000261654265 135242520 /nfs/dbraw/zinc/24/25/20/135242520.db2.gz BGTBJKWNSHSIJM-JHJVBQTASA-N 2 0 225.380 1.010 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cccc(N)c2)CC1 ZINC000261655839 135243529 /nfs/dbraw/zinc/24/35/29/135243529.db2.gz IGHNWCKNQYYKFX-LLVKDONJSA-N 2 0 233.359 1.828 20 0 BDADRP C[C@H](CNC1=[NH+]CCCN1)[NH+]1CCC(C)CC1 ZINC000261705544 135246553 /nfs/dbraw/zinc/24/65/53/135246553.db2.gz CYSBCRRCPLZHNJ-GFCCVEGCSA-N 2 0 238.379 1.046 20 0 BDADRP C[C@H]([NH3+])c1ccc(CNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000261706995 135246774 /nfs/dbraw/zinc/24/67/74/135246774.db2.gz JTHAKSXQUPLSDV-GXFFZTMASA-N 2 0 247.342 1.075 20 0 BDADRP CN(C)c1ccccc1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261730552 135248158 /nfs/dbraw/zinc/24/81/58/135248158.db2.gz OFRXPCCJGKUZIN-HNNXBMFYSA-N 2 0 247.386 1.923 20 0 BDADRP COCC1(C)CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261751290 135249989 /nfs/dbraw/zinc/24/99/89/135249989.db2.gz JVJHHEAWVAJMNR-AWEZNQCLSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@H]([NH3+])CC(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000261939199 135264629 /nfs/dbraw/zinc/26/46/29/135264629.db2.gz ZZXXFPWSSBZPAB-NSHDSACASA-N 2 0 249.358 1.467 20 0 BDADRP C[C@@H]1[C@@H](C)[N@H+](CC2CC[NH2+]CC2)CCN1C ZINC000261975203 135269077 /nfs/dbraw/zinc/26/90/77/135269077.db2.gz QSIJKTDHNUASNU-VXGBXAGGSA-N 2 0 225.380 1.010 20 0 BDADRP C(C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)[C@H]1CCOC1 ZINC000261997217 135270654 /nfs/dbraw/zinc/27/06/54/135270654.db2.gz KYECFSVHPLATGM-STQMWFEESA-N 2 0 224.348 1.098 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000262030871 135273573 /nfs/dbraw/zinc/27/35/73/135273573.db2.gz XDJQIAAEAVIQBN-ZIAGYGMSSA-N 2 0 238.375 1.344 20 0 BDADRP CCC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000262080557 135277519 /nfs/dbraw/zinc/27/75/19/135277519.db2.gz AXOMRLMSFKEHPZ-VXGBXAGGSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](CCOCC(F)F)CC1 ZINC000262081282 135277738 /nfs/dbraw/zinc/27/77/38/135277738.db2.gz FCJKTZQNBBCCEZ-SECBINFHSA-N 2 0 236.306 1.327 20 0 BDADRP C[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)[C@@H]1CN ZINC000262116242 135279946 /nfs/dbraw/zinc/27/99/46/135279946.db2.gz BKTBOXSDUBHWMS-DGCLKSJQSA-N 2 0 225.380 1.045 20 0 BDADRP C[C@@H](N)[C@@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000262131356 135280885 /nfs/dbraw/zinc/28/08/85/135280885.db2.gz OBNRSZCGWRDNAI-YPMHNXCESA-N 2 0 225.380 1.188 20 0 BDADRP c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)CO2 ZINC000262252894 135287981 /nfs/dbraw/zinc/28/79/81/135287981.db2.gz QEWARIQDFROCFE-KGLIPLIRSA-N 2 0 246.354 1.722 20 0 BDADRP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000262407562 135295131 /nfs/dbraw/zinc/29/51/31/135295131.db2.gz BTQRMXZMOGDZJR-LBPRGKRZSA-N 2 0 249.358 1.130 20 0 BDADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000262585033 135307088 /nfs/dbraw/zinc/30/70/88/135307088.db2.gz NYFRDJZARYBBCB-CYZMBNFOSA-N 2 0 249.358 1.176 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000262600508 135308098 /nfs/dbraw/zinc/30/80/98/135308098.db2.gz OLKVWBDHKMEMAI-SDDRHHMPSA-N 2 0 241.379 1.138 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCSC1 ZINC000299962795 135383162 /nfs/dbraw/zinc/38/31/62/135383162.db2.gz GXEOXROYBYBUKJ-WISYIIOYSA-N 2 0 228.405 1.810 20 0 BDADRP [NH3+]C1CCC([NH2+][C@H](CO)Cc2ccccc2)CC1 ZINC000094088984 135610706 /nfs/dbraw/zinc/61/07/06/135610706.db2.gz ZNQAGLYGPUYQFJ-NRXISQOPSA-N 2 0 248.370 1.450 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@@H]2CCCC[C@H]2O)CC1 ZINC000335061605 135886427 /nfs/dbraw/zinc/88/64/27/135886427.db2.gz BKUFBOLATHMBLJ-FIYWTHMPSA-N 2 0 226.364 1.397 20 0 BDADRP C[C@H]1C[C@@H](C(=O)Nc2ccc(C[NH3+])cc2)CC[NH2+]1 ZINC000335384334 136088657 /nfs/dbraw/zinc/08/86/57/136088657.db2.gz CQAIZBIAEHAHPS-JQWIXIFHSA-N 2 0 247.342 1.472 20 0 BDADRP C[C@H]1Cc2ccccc2[C@H]1[NH2+]CC1C[NH2+]C1 ZINC000335553436 136098613 /nfs/dbraw/zinc/09/86/13/136098613.db2.gz WDPYKAVBMPBSKL-HZMBPMFUSA-N 2 0 216.328 1.729 20 0 BDADRP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CC1C[NH2+]C1 ZINC000335553437 136098791 /nfs/dbraw/zinc/09/87/91/136098791.db2.gz WDPYKAVBMPBSKL-IINYFYTJSA-N 2 0 216.328 1.729 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+](C[C@@H]3CCCCO3)C2)C1 ZINC000335569719 136108715 /nfs/dbraw/zinc/10/87/15/136108715.db2.gz CENMHZXNWDTHGA-KBPBESRZSA-N 2 0 238.375 1.583 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)CCS1 ZINC000252681500 397811453 /nfs/dbraw/zinc/81/14/53/397811453.db2.gz AIIVTJRPLMAWSI-NWDGAFQWSA-N 2 0 228.405 1.813 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000082581739 397955629 /nfs/dbraw/zinc/95/56/29/397955629.db2.gz IVDJTRCDBDBIBA-NWDGAFQWSA-N 2 0 226.364 1.472 20 0 BDADRP CC[N@@H+]1CCN(C[C@H]2CCC[NH+]2C)C[C@@H]1C ZINC000649567613 397959174 /nfs/dbraw/zinc/95/91/74/397959174.db2.gz XXJTUGMUJRHVMX-QWHCGFSZSA-N 2 0 225.380 1.107 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CCO[C@H]1C)C[NH+]1CCCC1 ZINC000120312047 397996048 /nfs/dbraw/zinc/99/60/48/397996048.db2.gz YLYPPTXFQGVXON-FRRDWIJNSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCN[C@H](C)[C@@H]2C)CC[NH2+]1 ZINC000414659247 398008655 /nfs/dbraw/zinc/00/86/55/398008655.db2.gz KVMNBWHWMWJSFI-FVCCEPFGSA-N 2 0 225.380 1.057 20 0 BDADRP C[NH2+]CC1CC[NH+](C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414672285 398012883 /nfs/dbraw/zinc/01/28/83/398012883.db2.gz NOMXALXJHLYEMS-TZMCWYRMSA-N 3 0 239.407 1.306 20 0 BDADRP CCC[N@@H+](CC(=O)OC)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414676564 398014707 /nfs/dbraw/zinc/01/47/07/398014707.db2.gz VGXBZNLFJXOUME-VXGBXAGGSA-N 2 0 242.363 1.260 20 0 BDADRP Cc1ccn2c(C[NH2+]CC[C@H](C)[NH3+])cnc2c1 ZINC000414823468 398047845 /nfs/dbraw/zinc/04/78/45/398047845.db2.gz OTDOOCSDVUESOT-NSHDSACASA-N 2 0 232.331 1.470 20 0 BDADRP C[C@@H](C[NH2+]Cc1ccc(CO)cc1)C[NH+](C)C ZINC000383559586 398031846 /nfs/dbraw/zinc/03/18/46/398031846.db2.gz DPSNIANWIRRIHN-LBPRGKRZSA-N 2 0 236.359 1.466 20 0 BDADRP COCC1(C[NH2+]C[C@H]2CCC[N@H+](C)C2)CCC1 ZINC000383765135 398036403 /nfs/dbraw/zinc/03/64/03/398036403.db2.gz FOJDUCFVYMKXHC-CYBMUJFWSA-N 2 0 240.391 1.735 20 0 BDADRP O[C@H](C[NH2+]CC1=CCCC1)C[NH+]1CCCC1 ZINC000629585499 397977621 /nfs/dbraw/zinc/97/76/21/397977621.db2.gz VWWNOOCQBJBZIK-CYBMUJFWSA-N 2 0 224.348 1.143 20 0 BDADRP CC(C)(CO)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000643475061 398076289 /nfs/dbraw/zinc/07/62/89/398076289.db2.gz UYBCOYLKLUKUHC-UHFFFAOYSA-N 2 0 214.353 1.112 20 0 BDADRP CC(C)(CO)C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000643475058 398076336 /nfs/dbraw/zinc/07/63/36/398076336.db2.gz ULNIBISUQBXFPD-MNOVXSKESA-N 2 0 214.353 1.255 20 0 BDADRP CCCC[NH+]1CCC([NH2+][C@@H](C)[C@H](C)O)CC1 ZINC000564857895 398077282 /nfs/dbraw/zinc/07/72/82/398077282.db2.gz ZTNNJUFWJTYKMX-RYUDHWBXSA-N 2 0 228.380 1.610 20 0 BDADRP CC1(C)CCC[NH2+][C@H]1C[NH2+]C[C@@H]1CCCOC1 ZINC000414923806 398100195 /nfs/dbraw/zinc/10/01/95/398100195.db2.gz GBJPJNBROVCTOY-STQMWFEESA-N 2 0 240.391 1.781 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)[C@H](C)O1 ZINC000384735917 398103384 /nfs/dbraw/zinc/10/33/84/398103384.db2.gz KPXOWCSAPUFSEB-IIRVCBMXSA-N 2 0 212.337 1.412 20 0 BDADRP C[NH2+]CCSCc1ccc2c(c1)C[NH2+]CC2 ZINC000522060421 398106812 /nfs/dbraw/zinc/10/68/12/398106812.db2.gz KHHVQCXUIDDESB-UHFFFAOYSA-N 2 0 236.384 1.785 20 0 BDADRP C[C@@H](CO)C1CC[NH+](CCn2ccnc2)CC1 ZINC000649800450 398109984 /nfs/dbraw/zinc/10/99/84/398109984.db2.gz UABWYPAEZKKPAS-LBPRGKRZSA-N 2 0 237.347 1.224 20 0 BDADRP CCC[C@@H](C)C[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000414948282 398122735 /nfs/dbraw/zinc/12/27/35/398122735.db2.gz WYQCWYMMPBUXLR-OLZOCXBDSA-N 2 0 228.380 1.781 20 0 BDADRP CC(C)C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000127744089 167002978 /nfs/dbraw/zinc/00/29/78/167002978.db2.gz PPNYCXBUVDIHQX-UHFFFAOYSA-N 2 0 228.380 1.467 20 0 BDADRP CC(C)C[NH2+]CCCC[NH+]1CCOCC1 ZINC000048068358 167003432 /nfs/dbraw/zinc/00/34/32/167003432.db2.gz SWYZKZFPOMHYPM-UHFFFAOYSA-N 2 0 214.353 1.344 20 0 BDADRP CC(C)[NH2+]CCN1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000370579256 167107172 /nfs/dbraw/zinc/10/71/72/167107172.db2.gz IMINNSOQOOXLMH-ZIAGYGMSSA-N 2 0 239.407 1.543 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@H]2CCCO2)C1 ZINC000680338562 487567949 /nfs/dbraw/zinc/56/79/49/487567949.db2.gz FFJYTEUNAGOQCI-BFHYXJOUSA-N 2 0 240.391 1.875 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@H]2CCCC[C@H]2O)C1 ZINC000393282061 487571294 /nfs/dbraw/zinc/57/12/94/487571294.db2.gz YXEIPLAHFDURTH-YNEHKIRRSA-N 2 0 226.364 1.079 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000070356915 487589884 /nfs/dbraw/zinc/58/98/84/487589884.db2.gz RQPXJFHZZYVFAI-QWHCGFSZSA-N 2 0 240.391 1.875 20 0 BDADRP COC[C@@H]([NH2+]C[C@H]1CC[N@@H+](C(C)C)C1)C1CC1 ZINC000228163100 487594352 /nfs/dbraw/zinc/59/43/52/487594352.db2.gz HIFFUVSOJAFGJE-TZMCWYRMSA-N 2 0 240.391 1.731 20 0 BDADRP CC(C)Oc1ccc(C[NH2+]CCC[NH3+])cc1 ZINC000037713688 167294951 /nfs/dbraw/zinc/29/49/51/167294951.db2.gz DRSNOEZZCVCAIS-UHFFFAOYSA-N 2 0 222.332 1.912 20 0 BDADRP CC(C)[NH2+]CC[C@H]([NH3+])Cc1ccccc1 ZINC000145060950 487603211 /nfs/dbraw/zinc/60/32/11/487603211.db2.gz WEKZNHIQKNXXOV-ZDUSSCGKSA-N 2 0 206.333 1.945 20 0 BDADRP C[C@H](C[NH3+])N(C)C(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662417624 487604398 /nfs/dbraw/zinc/60/43/98/487604398.db2.gz LZSYZATUJLBCSN-ZWNOBZJWSA-N 2 0 247.342 1.027 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)CN1C1CC1 ZINC000178318379 487609083 /nfs/dbraw/zinc/60/90/83/487609083.db2.gz VLYBVJXZPNEGAF-ZJMQZLNVSA-N 2 0 236.359 1.521 20 0 BDADRP CCc1nocc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000662265858 409563530 /nfs/dbraw/zinc/56/35/30/409563530.db2.gz JGGAWVQUMNDPHF-CYZMBNFOSA-N 2 0 249.358 1.796 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)C1CCC1 ZINC000662267408 409568413 /nfs/dbraw/zinc/56/84/13/409568413.db2.gz VEZVTBBFIQCCDV-KGLIPLIRSA-N 2 0 238.375 1.487 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@H](OC)C2CCCC2)C1 ZINC000662244136 409535373 /nfs/dbraw/zinc/53/53/73/409535373.db2.gz CRKCLSGTRUXEJG-JSGCOSHPSA-N 2 0 240.391 1.733 20 0 BDADRP CO[C@@H](C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)C1CCC1 ZINC000662267405 409569152 /nfs/dbraw/zinc/56/91/52/409569152.db2.gz VEZVTBBFIQCCDV-KBPBESRZSA-N 2 0 238.375 1.487 20 0 BDADRP CO[C@@H](C[N@@H+]1CC[C@@H](C[NH3+])C1)C1CCC1 ZINC000662246065 409541196 /nfs/dbraw/zinc/54/11/96/409541196.db2.gz NSKKGOYRBFAHJM-JQWIXIFHSA-N 2 0 212.337 1.082 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](C[C@@H](OC)C2CCC2)C1 ZINC000662247161 409543856 /nfs/dbraw/zinc/54/38/56/409543856.db2.gz UKRGGAIIMMZYNE-DGCLKSJQSA-N 2 0 226.364 1.343 20 0 BDADRP CC[C@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662251670 409548145 /nfs/dbraw/zinc/54/81/45/409548145.db2.gz DGVMTWQGCAXHSW-RYUDHWBXSA-N 2 0 224.348 1.382 20 0 BDADRP CC[N@H+](CC1CC1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662254720 409552831 /nfs/dbraw/zinc/55/28/31/409552831.db2.gz KCNGUUUKCPSGES-GFCCVEGCSA-N 2 0 224.348 1.239 20 0 BDADRP C[NH2+]Cc1ccccc1CNC(=O)[C@@H]([NH3+])C(C)C ZINC000653211292 410166087 /nfs/dbraw/zinc/16/60/87/410166087.db2.gz SMEFGUAROBRGAA-ZDUSSCGKSA-N 2 0 249.358 1.006 20 0 BDADRP C[N@H+](CCC[NH3+])Cc1cccc2c1CCC2 ZINC000650703405 410332221 /nfs/dbraw/zinc/33/22/21/410332221.db2.gz YUILESZOCZIBBY-UHFFFAOYSA-N 2 0 218.344 1.956 20 0 BDADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000650706314 410338174 /nfs/dbraw/zinc/33/81/74/410338174.db2.gz IPZKWXJLCSRWPA-BFHYXJOUSA-N 2 0 238.375 1.615 20 0 BDADRP COCC(C)(C)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709850 410340730 /nfs/dbraw/zinc/34/07/30/410340730.db2.gz SZHGZKCHOZCVQI-JSGCOSHPSA-N 2 0 240.391 1.720 20 0 BDADRP CC(C)n1nccc1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650714046 410346768 /nfs/dbraw/zinc/34/67/68/410346768.db2.gz OSISIBBPGLPUCD-UHFFFAOYSA-N 2 0 236.363 1.683 20 0 BDADRP CCOC[C@H](C)[NH2+]Cc1ccccc1C[NH2+]C ZINC000650719202 410354919 /nfs/dbraw/zinc/35/49/19/410354919.db2.gz HNYNAWSZJMIXTB-LBPRGKRZSA-N 2 0 236.359 1.921 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+]C1CC[NH2+]CC1 ZINC000650720171 410358421 /nfs/dbraw/zinc/35/84/21/410358421.db2.gz GYSVFVKEDDSIDB-UHFFFAOYSA-N 3 0 233.359 1.248 20 0 BDADRP CC(C)C[N@H+](C)CCCN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000650740403 410373091 /nfs/dbraw/zinc/37/30/91/410373091.db2.gz LYGSEUUCFMZAIO-UONOGXRCSA-N 2 0 241.423 1.552 20 0 BDADRP COC[C@@H]([NH2+]CCC1(C[NH3+])CC1)C(C)C ZINC000650744047 410379627 /nfs/dbraw/zinc/37/96/27/410379627.db2.gz DZFZMZXPLJFEQZ-LLVKDONJSA-N 2 0 214.353 1.376 20 0 BDADRP COCC[C@H]1CCC[C@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650746934 410384331 /nfs/dbraw/zinc/38/43/31/410384331.db2.gz NQNLZDWHHJWJCZ-CHWSQXEVSA-N 2 0 240.391 1.910 20 0 BDADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccnn1C ZINC000650746492 410385573 /nfs/dbraw/zinc/38/55/73/410385573.db2.gz DFRCUUQYEWXUCJ-JTQLQIEISA-N 2 0 222.336 1.200 20 0 BDADRP Cc1cc([C@@H](C)[NH2+]CCC2(C[NH3+])CC2)nn1C ZINC000650746716 410385888 /nfs/dbraw/zinc/38/58/88/410385888.db2.gz JOZYUMSQZPWSGY-LLVKDONJSA-N 2 0 236.363 1.508 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@@H]1CNc2ccccc2C1 ZINC000650748099 410387570 /nfs/dbraw/zinc/38/75/70/410387570.db2.gz MZDJARFUQHXIOW-SCRDCRAPSA-N 2 0 231.343 1.493 20 0 BDADRP C[C@H](Cc1ccoc1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650748689 410389691 /nfs/dbraw/zinc/38/96/91/410389691.db2.gz ZTKJQSNNLYTSMU-LLVKDONJSA-N 2 0 222.332 1.929 20 0 BDADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccncn1 ZINC000650748691 410390499 /nfs/dbraw/zinc/39/04/99/410390499.db2.gz ZWVTYVBLHLZCJC-JTQLQIEISA-N 2 0 220.320 1.256 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000650755559 410401519 /nfs/dbraw/zinc/40/15/19/410401519.db2.gz HPGFZMHESKPZSJ-RYUDHWBXSA-N 3 0 235.375 1.621 20 0 BDADRP C[C@H](COCC1CC1)[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000650761320 410410084 /nfs/dbraw/zinc/41/00/84/410410084.db2.gz XLUVTHMQOLXDLD-HBNTYKKESA-N 2 0 214.353 1.517 20 0 BDADRP CC[C@H]([NH2+]CCC1CC[NH2+]CC1)[C@@H]1CCOC1 ZINC000650764191 410414561 /nfs/dbraw/zinc/41/45/61/410414561.db2.gz SEELGOCKJDHMFQ-KGLIPLIRSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCC2CC[NH2+]CC2)CC[N@@H+]1C ZINC000650763922 410414681 /nfs/dbraw/zinc/41/46/81/410414681.db2.gz MHEFBVQRRGAGIU-GXTWGEPZSA-N 3 0 239.407 1.448 20 0 BDADRP C[NH2+]CCC1CC[NH+](CCCCOC)CC1 ZINC000159191264 410450639 /nfs/dbraw/zinc/45/06/39/410450639.db2.gz IWHPFYANTHHWAF-UHFFFAOYSA-N 2 0 228.380 1.735 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000300398268 410533035 /nfs/dbraw/zinc/53/30/35/410533035.db2.gz SVQAUNBFXDIALG-AVGNSLFASA-N 2 0 228.380 1.502 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCN(C(C)(C)C)C1 ZINC000665235938 410725816 /nfs/dbraw/zinc/72/58/16/410725816.db2.gz CTTQWCJAWKJPPD-OLZOCXBDSA-N 2 0 241.423 1.966 20 0 BDADRP CO[C@@H](C)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000665244493 410730135 /nfs/dbraw/zinc/73/01/35/410730135.db2.gz OYWQAZLMGWDNNL-UMSGYPCISA-N 2 0 226.364 1.532 20 0 BDADRP CC(C)(F)CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000665261363 410736594 /nfs/dbraw/zinc/73/65/94/410736594.db2.gz ACEJUMHTLKSBRZ-NXEZZACHSA-N 2 0 202.317 1.984 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CCCC1CCC1 ZINC000665266659 410739092 /nfs/dbraw/zinc/73/90/92/410739092.db2.gz GZBJYVQRBHOBGS-ZDUSSCGKSA-N 2 0 228.380 1.910 20 0 BDADRP CO[C@@H](C[NH2+][C@H](C)C1C[NH2+]C1)C1CCCCC1 ZINC000665283016 410763102 /nfs/dbraw/zinc/76/31/02/410763102.db2.gz GFDWIDWXCTZMMD-RISCZKNCSA-N 2 0 240.391 1.779 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1C ZINC000393837401 410764640 /nfs/dbraw/zinc/76/46/40/410764640.db2.gz RGNLSSSEBVJGID-HZSPNIEDSA-N 2 0 242.407 1.856 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000393952843 410771351 /nfs/dbraw/zinc/77/13/51/410771351.db2.gz QVWZUXRWDWVGIJ-GRYCIOLGSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000653299343 410816475 /nfs/dbraw/zinc/81/64/75/410816475.db2.gz PSAKQDUBHNWCGT-JSGCOSHPSA-N 3 0 239.407 1.578 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@H]([NH3+])C[C@@H]1C ZINC000653299378 410813637 /nfs/dbraw/zinc/81/36/37/410813637.db2.gz RGOJROFGCOQRMH-STQMWFEESA-N 2 0 227.396 1.530 20 0 BDADRP CC(C)C[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000040435560 167006614 /nfs/dbraw/zinc/00/66/14/167006614.db2.gz BWWFSJYVZOBUHM-CQSZACIVSA-N 2 0 241.423 1.504 20 0 BDADRP COC[C@H]([NH2+]CC1CC[NH2+]CC1)C1CC1 ZINC000397227594 410916228 /nfs/dbraw/zinc/91/62/28/410916228.db2.gz CTKAUCFYUQCOEA-LBPRGKRZSA-N 2 0 212.337 1.001 20 0 BDADRP CC(C)[N@H+](CCN1CC[NH2+]CC1)CC1CC1 ZINC000042593539 411021062 /nfs/dbraw/zinc/02/10/62/411021062.db2.gz JILMLDPWZNZLEC-UHFFFAOYSA-N 2 0 225.380 1.012 20 0 BDADRP OC[C@@H](CCF)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000652020352 411024972 /nfs/dbraw/zinc/02/49/72/411024972.db2.gz UMFCQOCHJULROE-CYBMUJFWSA-N 2 0 244.354 1.171 20 0 BDADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H](C)[NH3+])cc1 ZINC000295259655 167613400 /nfs/dbraw/zinc/61/34/00/167613400.db2.gz UZDHDWCAKOPNSU-MFKMUULPSA-N 2 0 249.358 1.273 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400936029 411163083 /nfs/dbraw/zinc/16/30/83/411163083.db2.gz ATIREPFPZLTZHH-RQJABVFESA-N 2 0 240.391 1.515 20 0 BDADRP C1=C(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)COCC1 ZINC000400922752 411163096 /nfs/dbraw/zinc/16/30/96/411163096.db2.gz GIAIZZKDPPFVQJ-BFHYXJOUSA-N 2 0 236.359 1.311 20 0 BDADRP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCCOC1 ZINC000400918318 411163924 /nfs/dbraw/zinc/16/39/24/411163924.db2.gz DTZHLJIOOXYYER-REWJHTLYSA-N 2 0 238.375 1.391 20 0 BDADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CCO[C@H]1C ZINC000651865711 411147865 /nfs/dbraw/zinc/14/78/65/411147865.db2.gz FMLKVAFEARLMQW-QWHCGFSZSA-N 2 0 228.380 1.731 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2COC(C)(C)C2)C1 ZINC000659989135 411158325 /nfs/dbraw/zinc/15/83/25/411158325.db2.gz CLRYRCGZAIGBMW-STQMWFEESA-N 2 0 240.391 1.828 20 0 BDADRP C[NH2+]CCC1CC[NH+]([C@H](C)CCOC)CC1 ZINC000069730221 411159154 /nfs/dbraw/zinc/15/91/54/411159154.db2.gz SBTBSVARGHXCPP-GFCCVEGCSA-N 2 0 228.380 1.733 20 0 BDADRP Cc1ncccc1CN[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000655941099 411160462 /nfs/dbraw/zinc/16/04/62/411160462.db2.gz MDSLYDXKSCAOQL-ZKYQVNSYSA-N 2 0 233.359 1.866 20 0 BDADRP COCCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401080261 411176309 /nfs/dbraw/zinc/17/63/09/411176309.db2.gz QZEKYWUXGYGNHB-FRRDWIJNSA-N 2 0 226.364 1.391 20 0 BDADRP OC1(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000401174804 411179123 /nfs/dbraw/zinc/17/91/23/411179123.db2.gz YFESKMFWDPASFD-JHJVBQTASA-N 2 0 238.375 1.269 20 0 BDADRP C[C@](O)(C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000401172737 411179185 /nfs/dbraw/zinc/17/91/85/411179185.db2.gz XJRYDWSXAXMQAQ-UNJBNNCHSA-N 2 0 238.375 1.125 20 0 BDADRP CCN(C)C[C@H](O)C[N@@H+]1CC(C)(C)[C@H]1C(C)C ZINC000656152502 411186811 /nfs/dbraw/zinc/18/68/11/411186811.db2.gz KSDCTAQOSKQVPW-QWHCGFSZSA-N 2 0 242.407 1.665 20 0 BDADRP CCO[C@@H]1C[N@H+](C[C@@H](C)CC)C[C@H]1C[NH3+] ZINC000405385906 411197552 /nfs/dbraw/zinc/19/75/52/411197552.db2.gz PLWADGUGYREYTF-QJPTWQEYSA-N 2 0 214.353 1.328 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCC2(CO)CCC2)CC[N@@H+]1C ZINC000652311607 411197981 /nfs/dbraw/zinc/19/79/81/411197981.db2.gz RNQYFZKZTWAQAT-STQMWFEESA-N 2 0 240.391 1.611 20 0 BDADRP C[C@H](Cc1ccccn1)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000656193226 411199192 /nfs/dbraw/zinc/19/91/92/411199192.db2.gz ALBXDCPCBDYGIJ-BZPMIXESSA-N 2 0 233.359 1.872 20 0 BDADRP C[C@@H](Cc1ccccn1)[NH2+]CC1CC[NH2+]CC1 ZINC000656193954 411199252 /nfs/dbraw/zinc/19/92/52/411199252.db2.gz ZWHGHVPCONMVMD-LBPRGKRZSA-N 2 0 233.359 1.602 20 0 BDADRP C[C@@H](Cc1ccccn1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000656193911 411200106 /nfs/dbraw/zinc/20/01/06/411200106.db2.gz YGGPNMFYWXXPOK-QWHCGFSZSA-N 2 0 233.359 1.744 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CCCC[C@@H]1O ZINC000656197084 411202243 /nfs/dbraw/zinc/20/22/43/411202243.db2.gz BJJZEPDHGASUPG-YIYPIFLZSA-N 2 0 240.391 1.787 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656199706 411204597 /nfs/dbraw/zinc/20/45/97/411204597.db2.gz BFZHDRSRPXKUTP-FIQHERPVSA-N 3 0 213.369 1.042 20 0 BDADRP COCC1(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000656199950 411204927 /nfs/dbraw/zinc/20/49/27/411204927.db2.gz GYTGKKHCDSMHPF-WDEREUQCSA-N 2 0 212.337 1.130 20 0 BDADRP COCC1(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000656200299 411205142 /nfs/dbraw/zinc/20/51/42/411205142.db2.gz LCZWVSOWULDRMM-NWDGAFQWSA-N 2 0 226.364 1.520 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656201181 411206320 /nfs/dbraw/zinc/20/63/20/411206320.db2.gz ULMNJOLGQUHUPG-MQYQWHSLSA-N 2 0 239.407 1.304 20 0 BDADRP OCCC[N@@H+](Cc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000652343665 411208348 /nfs/dbraw/zinc/20/83/48/411208348.db2.gz CKZAOLDWZVMKTM-OAHLLOKOSA-N 2 0 248.370 1.481 20 0 BDADRP O[C@@H]1CCC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000652353356 411211961 /nfs/dbraw/zinc/21/19/61/411211961.db2.gz BLQHFKQUPPXUPT-CYBMUJFWSA-N 2 0 226.364 1.223 20 0 BDADRP C[NH2+]C[C@@](C)(O)C[NH+]1CCC2(CC2(F)F)CC1 ZINC000652353152 411212216 /nfs/dbraw/zinc/21/22/16/411212216.db2.gz IVHVYDNDSIFXLC-SNVBAGLBSA-N 2 0 248.317 1.078 20 0 BDADRP C[C@@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)[C@H]1CC[NH3+] ZINC000652355683 411215109 /nfs/dbraw/zinc/21/51/09/411215109.db2.gz DHYHTRZUMXGEFS-RDBSUJKOSA-N 3 0 239.407 1.435 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CO1 ZINC000402371355 411220540 /nfs/dbraw/zinc/22/05/40/411220540.db2.gz HBJAAYPXMWMIAW-MLGHIDQZSA-N 2 0 224.348 1.142 20 0 BDADRP CC(C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000658110043 411247333 /nfs/dbraw/zinc/24/73/33/411247333.db2.gz ZLSLKYUXVYTSHA-LBPRGKRZSA-N 2 0 215.385 1.256 20 0 BDADRP COCCCC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422884324 411233210 /nfs/dbraw/zinc/23/32/10/411233210.db2.gz RVACRXMVHHGCMR-VXGBXAGGSA-N 2 0 214.353 1.663 20 0 BDADRP CC[N@H+](CCN[C@@H]1CCCCC[C@@H]1[NH3+])C(C)C ZINC000422883831 411233568 /nfs/dbraw/zinc/23/35/68/411233568.db2.gz VRFNWXHDOFNGTP-UONOGXRCSA-N 2 0 241.423 1.966 20 0 BDADRP COCc1cccc(C[NH2+][C@@H](C)C2C[NH2+]C2)c1 ZINC000422884997 411233604 /nfs/dbraw/zinc/23/36/04/411233604.db2.gz SYDKNOXEXPJXCJ-NSHDSACASA-N 2 0 234.343 1.531 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)C1CCCCC1 ZINC000310345243 411234608 /nfs/dbraw/zinc/23/46/08/411234608.db2.gz FUMDCIDWELPIHU-AWEZNQCLSA-N 2 0 242.407 1.952 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000422905653 411234849 /nfs/dbraw/zinc/23/48/49/411234849.db2.gz IMXCFWQGLMOQCP-RWMBFGLXSA-N 2 0 227.396 1.304 20 0 BDADRP C[C@@H]([NH2+][C@H](CO)C1CCC1)C1CC[NH+](C)CC1 ZINC000658087046 411237527 /nfs/dbraw/zinc/23/75/27/411237527.db2.gz HBDFUHXJTUBWLY-BXUZGUMPSA-N 2 0 240.391 1.467 20 0 BDADRP CC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)COC1 ZINC000400980754 411167228 /nfs/dbraw/zinc/16/72/28/411167228.db2.gz VIDHYMQSVLXEES-GRYCIOLGSA-N 2 0 224.348 1.001 20 0 BDADRP CCCCOCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400973548 411167509 /nfs/dbraw/zinc/16/75/09/411167509.db2.gz QNSXNWZBCFBCIY-HZSPNIEDSA-N 2 0 240.391 1.781 20 0 BDADRP CCC(O)(CC)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400974518 411167619 /nfs/dbraw/zinc/16/76/19/411167619.db2.gz RBRHYWNACNNHLS-FRRDWIJNSA-N 2 0 240.391 1.515 20 0 BDADRP CCC[C@H]([NH3+])c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000656467623 411279968 /nfs/dbraw/zinc/27/99/68/411279968.db2.gz PWYUXIWFKPPZFG-UWVGGRQHSA-N 2 0 223.324 1.003 20 0 BDADRP CC(C)n1ccnc1CN1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000649419046 411284470 /nfs/dbraw/zinc/28/44/70/411284470.db2.gz CITKHBUFFNRQJT-STQMWFEESA-N 2 0 248.374 1.648 20 0 BDADRP CC(C)(C)[N@@H+]1CC[C@@H](CNC2=[NH+]CCCN2)C1 ZINC000656508691 411288488 /nfs/dbraw/zinc/28/84/88/411288488.db2.gz XNMHNRHQYFVSRK-NSHDSACASA-N 2 0 238.379 1.046 20 0 BDADRP COCC[C@@H](C)[NH2+]C[C@@H]1CCN1C(C)(C)C ZINC000656676995 411323308 /nfs/dbraw/zinc/32/33/08/411323308.db2.gz RUTXOVWXMLROSN-NEPJUHHUSA-N 2 0 228.380 1.874 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@H]1C1CCC1)[C@H]1CCC[NH2+]1 ZINC000424380635 411249635 /nfs/dbraw/zinc/24/96/35/411249635.db2.gz XHJCSDWHBGLJSY-FTYKPCCVSA-N 2 0 208.349 1.905 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC2(CC2)CC1 ZINC000660145530 411260805 /nfs/dbraw/zinc/26/08/05/411260805.db2.gz XFOIVUOPMHSMKQ-ZDUSSCGKSA-N 2 0 240.391 1.564 20 0 BDADRP C[C@H]1C[C@H](C[N@H+](C)CC(C)(C)N)CC[NH2+]1 ZINC000656784632 411361380 /nfs/dbraw/zinc/36/13/80/411361380.db2.gz FZVZDASOAUKABQ-WDEREUQCSA-N 2 0 213.369 1.044 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]Cc1ccc2c(c1)C[NH2+]CC2 ZINC000656785446 411364451 /nfs/dbraw/zinc/36/44/51/411364451.db2.gz HMQZMUFGMXDFEA-LLVKDONJSA-N 3 0 233.359 1.017 20 0 BDADRP C1CC1[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[NH2+]C1 ZINC000656788006 411367560 /nfs/dbraw/zinc/36/75/60/411367560.db2.gz GWADUQOHISSVEP-RWMBFGLXSA-N 2 0 208.349 1.907 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH2+]C[C@@H]1CCC[C@H]2C[C@H]21 ZINC000656708386 411334876 /nfs/dbraw/zinc/33/48/76/411334876.db2.gz CVHPNFVXZCTFDF-IGQOVBAYSA-N 2 0 240.391 1.325 20 0 BDADRP CC[C@@H](C)CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000656703416 411340115 /nfs/dbraw/zinc/34/01/15/411340115.db2.gz ALXLDDASJABPMY-CHWSQXEVSA-N 2 0 228.380 1.469 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C2CCC2)C1 ZINC000653763486 411344219 /nfs/dbraw/zinc/34/42/19/411344219.db2.gz LZDFPVCYYDQNOS-KGLIPLIRSA-N 2 0 240.391 1.421 20 0 BDADRP CC1(CNc2ccccn2)CC[NH2+]CC1 ZINC000128391780 168047772 /nfs/dbraw/zinc/04/77/72/168047772.db2.gz PZAINVJRJKCZFZ-UHFFFAOYSA-N 2 0 205.305 1.883 20 0 BDADRP CC1(O)C[C@H]2CC[C@@H](C1)[N@H+]2CCCn1ccnc1 ZINC000362237975 168071361 /nfs/dbraw/zinc/07/13/61/168071361.db2.gz PSHVZYCQVBGKME-PBWFPOADSA-N 2 0 249.358 1.651 20 0 BDADRP CC1CCN(CC[NH2+]C2CCC([NH3+])CC2)CC1 ZINC000094088179 168181752 /nfs/dbraw/zinc/18/17/52/168181752.db2.gz OXZRYMJUCLXEEM-UHFFFAOYSA-N 2 0 239.407 1.578 20 0 BDADRP CC[C@H]1C[C@@H]([NH2+]CCC[N@H+](C)C(C)C)CO1 ZINC000657305976 411456919 /nfs/dbraw/zinc/45/69/19/411456919.db2.gz WNUKFRYWAQZTLN-OLZOCXBDSA-N 2 0 228.380 1.874 20 0 BDADRP CCOCCC[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404370282 411392683 /nfs/dbraw/zinc/39/26/83/411392683.db2.gz IRFZZBCRKQBKQG-STQMWFEESA-N 2 0 228.380 1.862 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CO1 ZINC000657313686 411460809 /nfs/dbraw/zinc/46/08/09/411460809.db2.gz MPPYWACTQBQCJE-ZOBORPQBSA-N 2 0 238.375 1.770 20 0 BDADRP C[C@@H]1CCC[N@H+](Cc2ccnn2C)[C@H]1CC[NH3+] ZINC000404450935 411397583 /nfs/dbraw/zinc/39/75/83/411397583.db2.gz YPVHEVIDUCALQV-YPMHNXCESA-N 2 0 236.363 1.369 20 0 BDADRP CC(C)O[C@H]1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000404503946 411399413 /nfs/dbraw/zinc/39/94/13/411399413.db2.gz FXKSPTMCYPSHLW-UONOGXRCSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+](CC)C2)CO1 ZINC000657315446 411461264 /nfs/dbraw/zinc/46/12/64/411461264.db2.gz NCJXATCQGSXEBI-JHJVBQTASA-N 2 0 226.364 1.485 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653054415 411406745 /nfs/dbraw/zinc/40/67/45/411406745.db2.gz SDCFGZRFMLUWQP-NSHDSACASA-N 2 0 241.379 1.010 20 0 BDADRP Cc1ccc(NC(=O)[C@H](N)CC[NH+](C)C)cc1 ZINC000653056414 411408589 /nfs/dbraw/zinc/40/85/89/411408589.db2.gz FMXNUWLBEVABHM-GFCCVEGCSA-N 2 0 235.331 1.213 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)CCO1 ZINC000070360444 411408872 /nfs/dbraw/zinc/40/88/72/411408872.db2.gz IPTAOJNTTAHVEF-ZIAGYGMSSA-N 2 0 240.391 1.875 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cn[nH]c2)C1 ZINC000657182814 411416958 /nfs/dbraw/zinc/41/69/58/411416958.db2.gz ATPHHTVWJXXHRX-LLVKDONJSA-N 2 0 222.336 1.231 20 0 BDADRP CC[C@@H]1C[N@H+](Cc2nc(C)ccc2O)CC[C@@H]1[NH3+] ZINC000122238741 411425113 /nfs/dbraw/zinc/42/51/13/411425113.db2.gz HGQFXWREEWDAME-NEPJUHHUSA-N 2 0 249.358 1.655 20 0 BDADRP C[C@@H](c1ccncc1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000122325769 411428120 /nfs/dbraw/zinc/42/81/20/411428120.db2.gz RGLYGXPXPRZNHJ-GRYCIOLGSA-N 2 0 219.332 1.812 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]CCC[NH+](CC)CC)CO1 ZINC000657285273 411444707 /nfs/dbraw/zinc/44/47/07/411444707.db2.gz AUWVIRJBRMBBOI-QWHCGFSZSA-N 2 0 228.380 1.875 20 0 BDADRP C[C@@H]1[C@@H](C)[N@H+](C)CCN1CC[NH2+]C(C)(C)C ZINC000414764749 411445058 /nfs/dbraw/zinc/44/50/58/411445058.db2.gz ZDBFJKMWDDMXTP-VXGBXAGGSA-N 2 0 227.396 1.399 20 0 BDADRP CCOc1cccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)n1 ZINC000414838209 411450854 /nfs/dbraw/zinc/45/08/54/411450854.db2.gz VDVRDXFHTFTJBY-LBPRGKRZSA-N 2 0 249.358 1.570 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C)CCO1 ZINC000414944453 411472836 /nfs/dbraw/zinc/47/28/36/411472836.db2.gz PTNQNYGHCJSZAU-MQYQWHSLSA-N 2 0 240.391 1.778 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C)CCO1 ZINC000414944451 411472972 /nfs/dbraw/zinc/47/29/72/411472972.db2.gz PTNQNYGHCJSZAU-DGAVXFQQSA-N 2 0 240.391 1.778 20 0 BDADRP CC(C)(C)[NH2+]CC[NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000415089231 411491464 /nfs/dbraw/zinc/49/14/64/411491464.db2.gz NHIVLFZNYHZWKH-UPJWGTAASA-N 2 0 240.391 1.922 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+]C2CC([NH+](C)C)C2)C1 ZINC000655792476 411515896 /nfs/dbraw/zinc/51/58/96/411515896.db2.gz ZKUPEWYDNQVYJE-XVSSEFHLSA-N 2 0 226.364 1.626 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CO1 ZINC000655802512 411518506 /nfs/dbraw/zinc/51/85/06/411518506.db2.gz DVNWVMHSFJSYHJ-FIQHERPVSA-N 2 0 212.337 1.094 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCCOCC2)C1 ZINC000655804948 411519284 /nfs/dbraw/zinc/51/92/84/411519284.db2.gz GUPUATDCHZHYGZ-RWMBFGLXSA-N 2 0 226.364 1.485 20 0 BDADRP CC[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CCO1 ZINC000655804130 411519674 /nfs/dbraw/zinc/51/96/74/411519674.db2.gz QWZIEPHGVOMDNN-FQUUOJAGSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]1OCC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805666 411520310 /nfs/dbraw/zinc/52/03/10/411520310.db2.gz RDSZXTNGHKIGSS-NNYUYHANSA-N 2 0 212.337 1.094 20 0 BDADRP CC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1CCOC1 ZINC000655805555 411520568 /nfs/dbraw/zinc/52/05/68/411520568.db2.gz PCOMVBGDMLRAAD-YIYPIFLZSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CCO1 ZINC000655805702 411520592 /nfs/dbraw/zinc/52/05/92/411520592.db2.gz RHMXXXMKBFZJEE-WUHRBBMRSA-N 2 0 226.364 1.484 20 0 BDADRP COCC(C)(C)C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655824958 411527432 /nfs/dbraw/zinc/52/74/32/411527432.db2.gz RVCHBLWFPLAQBR-TXEJJXNPSA-N 2 0 228.380 1.589 20 0 BDADRP Cc1ncsc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655827298 411529745 /nfs/dbraw/zinc/52/97/45/411529745.db2.gz QTKCXNXPCJUKCX-PHIMTYICSA-N 2 0 239.388 1.881 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000309186126 170008236 /nfs/dbraw/zinc/00/82/36/170008236.db2.gz BHZDAIMCYRTYIR-STQMWFEESA-N 3 0 227.396 1.435 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccncc2)C1 ZINC000037484197 170008515 /nfs/dbraw/zinc/00/85/15/170008515.db2.gz PXYBXPAPGHKADS-ZDUSSCGKSA-N 2 0 219.332 1.513 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH+](C)CC2(C)COC2)C[C@@H]1C ZINC000336713677 170009946 /nfs/dbraw/zinc/00/99/46/170009946.db2.gz STKFNAXWAJJEOL-QWHCGFSZSA-N 2 0 240.391 1.828 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCCCO)C[C@@H]1C ZINC000336714547 170010027 /nfs/dbraw/zinc/01/00/27/170010027.db2.gz UAEJZQYNOVVHIB-UONOGXRCSA-N 2 0 242.407 1.954 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOC(C)C)[C@H](C)C1 ZINC000120531861 170011738 /nfs/dbraw/zinc/01/17/38/170011738.db2.gz DUSBSCPYPNTXIF-CHWSQXEVSA-N 2 0 228.380 1.731 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CCOC)C1 ZINC000045035567 170016873 /nfs/dbraw/zinc/01/68/73/170016873.db2.gz FVRNVEJMAWKLLJ-NWDGAFQWSA-N 2 0 214.353 1.343 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)CC[C@@H](C)O)C[C@@H]1C ZINC000336662608 170017806 /nfs/dbraw/zinc/01/78/06/170017806.db2.gz CMAVVFZOUFKLPV-XQQFMLRXSA-N 2 0 228.380 1.562 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCCCO)C[C@@H]1C ZINC000336714545 170018224 /nfs/dbraw/zinc/01/82/24/170018224.db2.gz UAEJZQYNOVVHIB-KBPBESRZSA-N 2 0 242.407 1.954 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](C)O)C[C@@H]1C ZINC000336691408 170018856 /nfs/dbraw/zinc/01/88/56/170018856.db2.gz LNZMECABCNOBID-SRVKXCTJSA-N 2 0 214.353 1.172 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC[C@@H](C)O)C[C@H]1C ZINC000336721338 170018910 /nfs/dbraw/zinc/01/89/10/170018910.db2.gz SODCCDZGGYBWSU-MCIONIFRSA-N 2 0 242.407 1.952 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCOC)C[C@H]1C ZINC000336684807 170019598 /nfs/dbraw/zinc/01/95/98/170019598.db2.gz UXGVMTUQIPDPDF-OLZOCXBDSA-N 2 0 228.380 1.828 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCOC)C[C@@H]1C ZINC000336684809 170019943 /nfs/dbraw/zinc/01/99/43/170019943.db2.gz UXGVMTUQIPDPDF-STQMWFEESA-N 2 0 228.380 1.828 20 0 BDADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC(C)(C)[NH3+] ZINC000334616541 170023888 /nfs/dbraw/zinc/02/38/88/170023888.db2.gz REPLDZSFNQNRRN-NEPJUHHUSA-N 2 0 225.380 1.282 20 0 BDADRP CC[NH+](CC)[C@@H](C)CN[C@H]1C[N@H+](CC)C[C@@H]1C ZINC000355334729 170035226 /nfs/dbraw/zinc/03/52/26/170035226.db2.gz SMCQOMYAUNVBJX-IHRRRGAJSA-N 2 0 241.423 1.647 20 0 BDADRP CC(C)(C)N1CC[C@H]1C[NH2+]CC1(C)COC1 ZINC000657526151 411542826 /nfs/dbraw/zinc/54/28/26/411542826.db2.gz BGPUGSRDLAZPRT-NSHDSACASA-N 2 0 226.364 1.485 20 0 BDADRP CC(C)(C)N1CC[C@H]1C[NH2+][C@H]1CCOC1 ZINC000657525540 411543251 /nfs/dbraw/zinc/54/32/51/411543251.db2.gz SKGASFSGZFAULV-QWRGUYRKSA-N 2 0 212.337 1.238 20 0 BDADRP CC(C)(C)N1CC[C@@H]1C[NH2+][C@H]1CCOC1 ZINC000657525542 411543438 /nfs/dbraw/zinc/54/34/38/411543438.db2.gz SKGASFSGZFAULV-WDEREUQCSA-N 2 0 212.337 1.238 20 0 BDADRP c1cc(C[NH2+][C@H]2CC23CC3)n(-c2cc[nH+]cc2)n1 ZINC000657496443 411535602 /nfs/dbraw/zinc/53/56/02/411535602.db2.gz SUDHECSFVFAEFL-ZDUSSCGKSA-N 2 0 240.310 1.909 20 0 BDADRP CC[NH2+]CCNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000236928803 170114808 /nfs/dbraw/zinc/11/48/08/170114808.db2.gz NYCUCQLCIGSBPK-WCQYABFASA-N 2 0 249.358 1.048 20 0 BDADRP CCOC(=O)CC[N@H+](C)CCCn1ccnc1 ZINC000050067242 170203754 /nfs/dbraw/zinc/20/37/54/170203754.db2.gz AHSDIEYIKOMAEZ-UHFFFAOYSA-N 2 0 239.319 1.158 20 0 BDADRP CCOCC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000343926450 170352151 /nfs/dbraw/zinc/35/21/51/170352151.db2.gz IZSRVRLMSYLRBF-QWHCGFSZSA-N 2 0 242.407 1.979 20 0 BDADRP CCOCC(C)(C)C[NH2+][C@H]1CN(C)C[C@H]1C ZINC000309654904 170352229 /nfs/dbraw/zinc/35/22/29/170352229.db2.gz PISUBAKFKCHBNU-NEPJUHHUSA-N 2 0 228.380 1.589 20 0 BDADRP CCOCC[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000336674136 170391498 /nfs/dbraw/zinc/39/14/98/170391498.db2.gz LJIZDFIDAALLKC-CHWSQXEVSA-N 2 0 228.380 1.828 20 0 BDADRP Cc1ncc(C[NH2+]C[C@H](CO)CC2CC2)n1C ZINC000657713569 411586663 /nfs/dbraw/zinc/58/66/63/411586663.db2.gz DDBTWKYPCOBCGP-GFCCVEGCSA-N 2 0 237.347 1.227 20 0 BDADRP c1ncn2c1C[N@H+](CC[C@H]1CCCCO1)CC2 ZINC000660581519 411603025 /nfs/dbraw/zinc/60/30/25/411603025.db2.gz FOCMDJYEDNFHDI-CYBMUJFWSA-N 2 0 235.331 1.658 20 0 BDADRP CCOCCC[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660661175 411615234 /nfs/dbraw/zinc/61/52/34/411615234.db2.gz ZBBKFFSVRREFNL-CQSZACIVSA-N 2 0 240.391 1.831 20 0 BDADRP CC[C@H](C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1)OC ZINC000660663668 411616066 /nfs/dbraw/zinc/61/60/66/411616066.db2.gz OUCXPZJPQSKLDH-ZIAGYGMSSA-N 2 0 240.391 1.829 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1[C@@H](C)CCC1(C)C ZINC000660754538 411621271 /nfs/dbraw/zinc/62/12/71/411621271.db2.gz INDUYACNACKHLR-QWHCGFSZSA-N 2 0 242.407 1.950 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CCOCCF)[C@@H]2CCC[C@@H]21 ZINC000663459425 411662387 /nfs/dbraw/zinc/66/23/87/411662387.db2.gz CEJQNCUAHUTXNH-AVGNSLFASA-N 2 0 244.354 1.435 20 0 BDADRP C[NH2+]C[C@H](C)NC1CC[NH+](C(C)(C)C)CC1 ZINC000663509171 411691823 /nfs/dbraw/zinc/69/18/23/411691823.db2.gz HQDYHZWRKSWHCA-NSHDSACASA-N 2 0 227.396 1.447 20 0 BDADRP C[NH2+]C[C@@H](C)NCc1ccc2c(c1)C[NH2+]CC2 ZINC000663512587 411695517 /nfs/dbraw/zinc/69/55/17/411695517.db2.gz GLENEGZSEZDYPL-LLVKDONJSA-N 2 0 233.359 1.030 20 0 BDADRP C[C@H]1CN(c2[nH+]ccc3[nH]ccc32)C[C@@H]1[NH+](C)C ZINC000663709294 411729403 /nfs/dbraw/zinc/72/94/03/411729403.db2.gz OPLSRUMGBGLING-GWCFXTLKSA-N 2 0 244.342 1.949 20 0 BDADRP CCC(C)(C)[C@H](C)[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000661231415 411734478 /nfs/dbraw/zinc/73/44/78/411734478.db2.gz MMYQEDDOLROBRS-WCQYABFASA-N 2 0 242.407 1.856 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H]([NH+](C)C)CC2)CCO1 ZINC000420915904 411767387 /nfs/dbraw/zinc/76/73/87/411767387.db2.gz GLMVOKLTTOCMLL-MGPQQGTHSA-N 2 0 240.391 1.970 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000661831617 411895700 /nfs/dbraw/zinc/89/57/00/411895700.db2.gz PNQNALSADURFHQ-UPJWGTAASA-N 2 0 238.375 1.364 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000662243929 412040135 /nfs/dbraw/zinc/04/01/35/412040135.db2.gz DINHJWUPBZSFKB-GARJFASQSA-N 2 0 248.317 1.470 20 0 BDADRP C[NH2+]CC1CC[NH+](CC2CC=CC2)CC1 ZINC000662246076 412043586 /nfs/dbraw/zinc/04/35/86/412043586.db2.gz NZQJYOKXAIPHSX-UHFFFAOYSA-N 2 0 208.349 1.884 20 0 BDADRP CC(C)[C@](C)(C[NH3+])[NH2+]CCO[C@H]1CC1(F)F ZINC000662249943 412045848 /nfs/dbraw/zinc/04/58/48/412045848.db2.gz VWUABVZFMKHDGO-UWVGGRQHSA-N 2 0 236.306 1.374 20 0 BDADRP CO[C@H](C[NH2+][C@@](C)(C[NH3+])C(C)C)C1CCC1 ZINC000662250142 412046314 /nfs/dbraw/zinc/04/63/14/412046314.db2.gz YZZMLUBJQIQLIG-OLZOCXBDSA-N 2 0 228.380 1.765 20 0 BDADRP CC1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662248732 412047719 /nfs/dbraw/zinc/04/77/19/412047719.db2.gz CICMBSXLDBSOPB-LBPRGKRZSA-N 2 0 224.348 1.239 20 0 BDADRP C[C@@H]1CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662254664 412049046 /nfs/dbraw/zinc/04/90/46/412049046.db2.gz SCQYDFNTPGUGDV-CHWSQXEVSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@@H]1CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)[C@H]1C ZINC000662256971 412051326 /nfs/dbraw/zinc/05/13/26/412051326.db2.gz KVIBUHXAYIEEIV-AGIUHOORSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@@H]1CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)[C@H]1C ZINC000662256972 412051609 /nfs/dbraw/zinc/05/16/09/412051609.db2.gz KVIBUHXAYIEEIV-FRRDWIJNSA-N 2 0 238.375 1.628 20 0 BDADRP CO[C@H](C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C)C1CCC1 ZINC000662264732 412056671 /nfs/dbraw/zinc/05/66/71/412056671.db2.gz JZZIBWUBGCERCY-NTZNESFSSA-N 2 0 226.364 1.471 20 0 BDADRP CC[C@@H]1CC[C@@H]1[NH2+]CCC[N@H+](C)CCOC ZINC000336729155 171042391 /nfs/dbraw/zinc/04/23/91/171042391.db2.gz HNBWYUAZZOENGN-OLZOCXBDSA-N 2 0 228.380 1.733 20 0 BDADRP CO[C@H](C[NH2+]CC1([NH3+])CCC1)C1CCCC1 ZINC000662267286 412061434 /nfs/dbraw/zinc/06/14/34/412061434.db2.gz UOKAQUVZAKWWOJ-GFCCVEGCSA-N 2 0 226.364 1.663 20 0 BDADRP Cc1cc(CN2CC[C@](C)(C[NH3+])C2)nc(C)n1 ZINC000662271894 412062940 /nfs/dbraw/zinc/06/29/40/412062940.db2.gz JUBCLZUUZCZLSK-CYBMUJFWSA-N 2 0 234.347 1.264 20 0 BDADRP Cc1nc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)co1 ZINC000662273487 412065405 /nfs/dbraw/zinc/06/54/05/412065405.db2.gz NMAXUPLLENRMFJ-OLZOCXBDSA-N 2 0 249.358 1.805 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C[C@@H]1C[NH3+] ZINC000662280175 412071673 /nfs/dbraw/zinc/07/16/73/412071673.db2.gz DDQOICPYGXAGEG-RGDJUOJXSA-N 2 0 222.376 1.949 20 0 BDADRP C1=CCC(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)C1 ZINC000662273917 412066045 /nfs/dbraw/zinc/06/60/45/412066045.db2.gz QSEBVHZKPWCANP-OKILXGFUSA-N 2 0 220.360 1.884 20 0 BDADRP OCC1([NH2+]CCC2CCCCC2)CC[NH2+]CC1 ZINC000662286528 412076678 /nfs/dbraw/zinc/07/66/78/412076678.db2.gz JNBKFWDYADKOJU-UHFFFAOYSA-N 2 0 240.391 1.661 20 0 BDADRP Cc1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])ncn1 ZINC000662286622 412077209 /nfs/dbraw/zinc/07/72/09/412077209.db2.gz SFXJATJYABIPKI-RISCZKNCSA-N 2 0 248.374 1.734 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1)c1ccccn1 ZINC000662282274 412073310 /nfs/dbraw/zinc/07/33/10/412073310.db2.gz OFYUBMMEGROGOZ-RYUDHWBXSA-N 2 0 247.342 1.253 20 0 BDADRP C[C@@H]1CC[N@H+](CCO[C@H]2CC2(F)F)C[C@H]1C[NH3+] ZINC000662282753 412073532 /nfs/dbraw/zinc/07/35/32/412073532.db2.gz QJKQRUWKKLYZLP-MXWKQRLJSA-N 2 0 248.317 1.327 20 0 BDADRP CC(C)=CCC[NH+]1CCC(O)(C[NH3+])CC1 ZINC000662283868 412074732 /nfs/dbraw/zinc/07/47/32/412074732.db2.gz QUEIONCDUYLZAN-UHFFFAOYSA-N 2 0 212.337 1.128 20 0 BDADRP CC[C@H](C)C[NH2+]CC1CC[NH+](CCO)CC1 ZINC000120480335 171283762 /nfs/dbraw/zinc/28/37/62/171283762.db2.gz OHFHUDALCDGVBV-LBPRGKRZSA-N 2 0 228.380 1.326 20 0 BDADRP C[NH2+]C[C@](C)(O)C[NH+]1CCC(C2CCC2)CC1 ZINC000662299462 412085842 /nfs/dbraw/zinc/08/58/42/412085842.db2.gz QGHOKMAAUMZPOQ-AWEZNQCLSA-N 2 0 240.391 1.469 20 0 BDADRP CC[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000358313368 171338934 /nfs/dbraw/zinc/33/89/34/171338934.db2.gz DBZLQZLESKZTIH-IACUBPJLSA-N 2 0 240.391 1.752 20 0 BDADRP OCC1([NH2+]CCCC2CCCC2)CC[NH2+]CC1 ZINC000662287206 412079202 /nfs/dbraw/zinc/07/92/02/412079202.db2.gz UHCDFAPCQGVDQV-UHFFFAOYSA-N 2 0 240.391 1.661 20 0 BDADRP COCCCCC[N@H+](C)CC(C)(C)[NH3+] ZINC000662292204 412081754 /nfs/dbraw/zinc/08/17/54/412081754.db2.gz DOGLFMKQWFPABM-UHFFFAOYSA-N 2 0 202.342 1.472 20 0 BDADRP CC[C@H](C)[C@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000336675547 171388601 /nfs/dbraw/zinc/38/86/01/171388601.db2.gz BLGWDHVWHRUMKX-RYUDHWBXSA-N 2 0 228.380 1.467 20 0 BDADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000237036164 171395641 /nfs/dbraw/zinc/39/56/41/171395641.db2.gz JZFSRKSQRGXIGF-TUAOUCFPSA-N 2 0 243.395 1.206 20 0 BDADRP OCC[C@@H]1CCCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000662299771 412086938 /nfs/dbraw/zinc/08/69/38/412086938.db2.gz XAUMSMUGWZQIFP-OLZOCXBDSA-N 2 0 226.364 1.223 20 0 BDADRP C[C@H](c1ccncc1)N1CC2CC1(C[NH3+])C2 ZINC000662304622 412088811 /nfs/dbraw/zinc/08/88/11/412088811.db2.gz SBOJZXXRDPRWIB-XSRFYTQQSA-N 2 0 217.316 1.566 20 0 BDADRP CC(C)CCOCCN1CC2CC1(C[NH3+])C2 ZINC000662304348 412088979 /nfs/dbraw/zinc/08/89/79/412088979.db2.gz OOGSQZOKCBSEDX-UHFFFAOYSA-N 2 0 226.364 1.472 20 0 BDADRP C[C@H]([NH3+])CN1c2ccccc2CC[C@@H]1C[NH3+] ZINC000662305108 412090949 /nfs/dbraw/zinc/09/09/49/412090949.db2.gz OFFLWUODQYGBAN-CMPLNLGQSA-N 2 0 219.332 1.114 20 0 BDADRP C[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000662310845 412094530 /nfs/dbraw/zinc/09/45/30/412094530.db2.gz NXSDXNQHISDKLL-WCFLWFBJSA-N 2 0 236.363 1.068 20 0 BDADRP C[NH2+]CCC[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000662315658 412096455 /nfs/dbraw/zinc/09/64/55/412096455.db2.gz RQAXXZCWHDWCGD-MNOVXSKESA-N 2 0 200.326 1.095 20 0 BDADRP CCC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321092 412101267 /nfs/dbraw/zinc/10/12/67/412101267.db2.gz GTLOYVMQEUVINA-GFCCVEGCSA-N 2 0 214.353 1.439 20 0 BDADRP C[NH+](C)CCC[C@@H]1C[N@H+](CCC2CC2)CCO1 ZINC000662320125 412101290 /nfs/dbraw/zinc/10/12/90/412101290.db2.gz QDMOLJIJPBBNDE-CQSZACIVSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCO1 ZINC000665236471 412175970 /nfs/dbraw/zinc/17/59/70/412175970.db2.gz NLCNGWLWNIGZQL-VHDGCEQUSA-N 2 0 248.370 1.714 20 0 BDADRP OC/C=C/C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000665238824 412180315 /nfs/dbraw/zinc/18/03/15/412180315.db2.gz FHRJUWKNMAAPBZ-IUFRCNRCSA-N 2 0 224.348 1.045 20 0 BDADRP CC(C)[NH2+]CC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000662474021 412187674 /nfs/dbraw/zinc/18/76/74/412187674.db2.gz PWCFVMIUQCNFSJ-NSHDSACASA-N 2 0 243.395 1.077 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCO[C@H]2CC2(F)F)C1 ZINC000665244703 412189872 /nfs/dbraw/zinc/18/98/72/412189872.db2.gz TYCPBXLXOWCWLH-UTLUCORTSA-N 2 0 234.290 1.270 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CC1([NH3+])CCCC1 ZINC000665246389 412190433 /nfs/dbraw/zinc/19/04/33/412190433.db2.gz DCKGOSXAIQYVQJ-NSHDSACASA-N 3 0 213.369 1.365 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CCc1ccoc1 ZINC000665261558 412202347 /nfs/dbraw/zinc/20/23/47/412202347.db2.gz GGHHIZMCTQKPNJ-LBPRGKRZSA-N 2 0 226.320 1.166 20 0 BDADRP CC[C@@H]([NH2+]C)C(=O)N(CC[NH+](C)C)CC(C)C ZINC000662524253 412203592 /nfs/dbraw/zinc/20/35/92/412203592.db2.gz KKHDHNYDUHZCEH-GFCCVEGCSA-N 2 0 243.395 1.031 20 0 BDADRP CC(C)(F)CC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000665262019 412204509 /nfs/dbraw/zinc/20/45/09/412204509.db2.gz RMODRTXUJFMBFG-NXEZZACHSA-N 2 0 202.317 1.842 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000665273384 412215733 /nfs/dbraw/zinc/21/57/33/412215733.db2.gz VSYMPGQZVBJLIM-BHDSKKPTSA-N 2 0 233.359 1.972 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCc2ccoc2)C1 ZINC000665263035 412205629 /nfs/dbraw/zinc/20/56/29/412205629.db2.gz DYSCCHFNNDZACW-NWDGAFQWSA-N 2 0 208.305 1.682 20 0 BDADRP C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCC[C@H]2[NH3+])O1 ZINC000665264981 412207027 /nfs/dbraw/zinc/20/70/27/412207027.db2.gz NHMFRTXCAOGWBH-KKOKHZNYSA-N 2 0 212.337 1.413 20 0 BDADRP Cn1ncc(C2CC2)c1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000665264959 412207306 /nfs/dbraw/zinc/20/73/06/412207306.db2.gz MTXUQEAGKXBEEF-RYUDHWBXSA-N 2 0 248.374 1.657 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000665273385 412215438 /nfs/dbraw/zinc/21/54/38/412215438.db2.gz VSYMPGQZVBJLIM-IMSIIYSGSA-N 2 0 233.359 1.972 20 0 BDADRP C[C@@H](C[NH3+])N(C)C(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662417621 412158621 /nfs/dbraw/zinc/15/86/21/412158621.db2.gz LZSYZATUJLBCSN-GWCFXTLKSA-N 2 0 247.342 1.027 20 0 BDADRP CC[C@H]([NH2+]C)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000662418895 412159680 /nfs/dbraw/zinc/15/96/80/412159680.db2.gz XYNUFISJZFYCNV-NWDGAFQWSA-N 2 0 241.379 1.008 20 0 BDADRP COC1CC(CC[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000665230000 412168316 /nfs/dbraw/zinc/16/83/16/412168316.db2.gz HIAUORZUBYUDAK-BLYZHGLHSA-N 2 0 240.391 1.922 20 0 BDADRP O[C@@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000665235415 412173793 /nfs/dbraw/zinc/17/37/93/412173793.db2.gz VWCCZKQAOTVBCE-NRUFJFEESA-N 2 0 224.348 1.163 20 0 BDADRP COC[C@H](CC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)OC ZINC000665235013 412174034 /nfs/dbraw/zinc/17/40/34/412174034.db2.gz OEOACJZHYGZLNX-AVGNSLFASA-N 2 0 244.379 1.158 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCC[C@H]1OC ZINC000422970368 412217177 /nfs/dbraw/zinc/21/71/77/412217177.db2.gz WERYAEGNGOPRDQ-JHJVBQTASA-N 2 0 244.379 1.288 20 0 BDADRP CC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)[C@@H]1CCOC1 ZINC000665278241 412221543 /nfs/dbraw/zinc/22/15/43/412221543.db2.gz YZIXEHDRGRWSAC-QBHFIFKDSA-N 2 0 224.348 1.143 20 0 BDADRP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)C1CC[NH+](C)CC1 ZINC000665277100 412221830 /nfs/dbraw/zinc/22/18/30/412221830.db2.gz TVBMWVCOKJYZAH-LKSINWNRSA-N 3 0 237.391 1.058 20 0 BDADRP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)C1CCSCC1 ZINC000665278699 412223230 /nfs/dbraw/zinc/22/32/30/412223230.db2.gz MRWOCBPCCOUPIJ-ZBOXLXRLSA-N 2 0 240.416 1.860 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC000665279987 412224991 /nfs/dbraw/zinc/22/49/91/412224991.db2.gz QUGQVWIKVSTXKP-QZQSVVMZSA-N 2 0 224.348 1.286 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)CCCC[NH3+] ZINC000665281757 412225983 /nfs/dbraw/zinc/22/59/83/412225983.db2.gz KHNFURGVXHBRDK-VXGBXAGGSA-N 3 0 215.385 1.467 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@H](C)c1c[nH+]ccc1N ZINC000665281368 412226191 /nfs/dbraw/zinc/22/61/91/412226191.db2.gz AJVUNRNIVBBOBL-ZYHUDNBSSA-N 2 0 236.363 1.518 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1nccn1C ZINC000665283918 412229342 /nfs/dbraw/zinc/22/93/42/412229342.db2.gz XCMAIUNVCYVRFV-QWRGUYRKSA-N 2 0 224.352 1.588 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)CC2([NH3+])CC2)c1 ZINC000662819225 412309490 /nfs/dbraw/zinc/30/94/90/412309490.db2.gz IQCUOPASFGWEGD-UHFFFAOYSA-N 2 0 233.315 1.274 20 0 BDADRP CCC(CC)(C[NH3+])C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662926860 412346787 /nfs/dbraw/zinc/34/67/87/412346787.db2.gz QMOZYPHUHPTOKX-LLVKDONJSA-N 2 0 243.395 1.241 20 0 BDADRP C[NH2+]C[C@@H](C)NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000662952339 412352115 /nfs/dbraw/zinc/35/21/15/412352115.db2.gz CVUHMIZTEGGGER-DGCLKSJQSA-N 2 0 249.358 1.191 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCNc1cnccn1 ZINC000519595484 412302835 /nfs/dbraw/zinc/30/28/35/412302835.db2.gz FXNKZRNVXLXGFQ-RYUDHWBXSA-N 2 0 249.362 1.138 20 0 BDADRP CCn1nccc1C[NH2+]CCCC[NH+](C)C ZINC000162689355 172271001 /nfs/dbraw/zinc/27/10/01/172271001.db2.gz HAJSJQHCXNXVTD-UHFFFAOYSA-N 2 0 224.352 1.334 20 0 BDADRP C[NH+](C)CCCC[NH2+]CC[C@@H]1CCOC1 ZINC000336760258 172429017 /nfs/dbraw/zinc/42/90/17/172429017.db2.gz LRCJUODWYGIFRI-GFCCVEGCSA-N 2 0 214.353 1.344 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC1(C)COC1 ZINC000094721563 487625185 /nfs/dbraw/zinc/62/51/85/487625185.db2.gz LPXIOVKUOGVBRA-OLZOCXBDSA-N 2 0 240.391 1.923 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@H](O)C(C)(C)C1 ZINC000335310118 173005435 /nfs/dbraw/zinc/00/54/35/173005435.db2.gz DXRDAUSNKVIDHJ-OLZOCXBDSA-N 2 0 240.391 1.564 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CCN1CCO[C@H]2CCC[C@H]21 ZINC000336683387 173026689 /nfs/dbraw/zinc/02/66/89/173026689.db2.gz DSANTGNXZGMPHP-MCIONIFRSA-N 2 0 238.375 1.724 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@H](O)C(C)(C)C1 ZINC000336250372 173028256 /nfs/dbraw/zinc/02/82/56/173028256.db2.gz LGXMCUYQHYORPA-NEPJUHHUSA-N 2 0 226.364 1.173 20 0 BDADRP C[N@H+](C[C@H]1CCCOC1)C[C@H]1CCC[NH+](C)C1 ZINC000336704726 173042950 /nfs/dbraw/zinc/04/29/50/173042950.db2.gz NNYGKVNGOCOASV-UONOGXRCSA-N 2 0 240.391 1.687 20 0 BDADRP CN1CCC[C@H]([NH2+]C[C@@H]2CCC=CO2)C1 ZINC000050269483 173046878 /nfs/dbraw/zinc/04/68/78/173046878.db2.gz ZNQMQRPNLGLPOI-RYUDHWBXSA-N 2 0 210.321 1.363 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@]12CCOC2 ZINC000341977901 173049805 /nfs/dbraw/zinc/04/98/05/173049805.db2.gz WRFVLKWOLIHLJA-UONOGXRCSA-N 2 0 238.375 1.726 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@@H]3CCC=CO3)C2)C1 ZINC000366478542 173137676 /nfs/dbraw/zinc/13/76/76/173137676.db2.gz FILJRSMAPIIFIJ-UONOGXRCSA-N 2 0 236.359 1.707 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CC2(O)CCC2)[C@H]2CCC[C@@H]21 ZINC000368616481 173152002 /nfs/dbraw/zinc/15/20/02/173152002.db2.gz SZRJXOICMFQJPW-AGIUHOORSA-N 2 0 238.375 1.364 20 0 BDADRP Cn1nccc1C[NH2+][C@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000367616170 173152405 /nfs/dbraw/zinc/15/24/05/173152405.db2.gz LJMKKGUEXORFJX-IHRRRGAJSA-N 2 0 248.374 1.383 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+](CC[C@H]3CCCO3)C2)C1 ZINC000336510790 173168368 /nfs/dbraw/zinc/16/83/68/173168368.db2.gz MMXNXYPOJLYYHC-KGLIPLIRSA-N 2 0 238.375 1.583 20 0 BDADRP CNC(=O)CC[N@H+](C)CCCc1ccc(C)nc1 ZINC000353631043 173246150 /nfs/dbraw/zinc/24/61/50/173246150.db2.gz ZHQZTWGBVHPNRT-UHFFFAOYSA-N 2 0 249.358 1.391 20 0 BDADRP C[NH2+]CC1CC[NH+](Cc2ccc(C)nc2)CC1 ZINC000228858409 173338676 /nfs/dbraw/zinc/33/86/76/173338676.db2.gz FPZVHEHJNBRWGW-UHFFFAOYSA-N 2 0 233.359 1.821 20 0 BDADRP C[NH2+]CCC1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000070189032 173342834 /nfs/dbraw/zinc/34/28/34/173342834.db2.gz MAAYUTSRKYDHNT-UHFFFAOYSA-N 2 0 236.363 1.242 20 0 BDADRP C[NH2+]CCCN1CCC([NH+]2CCCCC2)CC1 ZINC000042409713 173347278 /nfs/dbraw/zinc/34/72/78/173347278.db2.gz GCOVEDMODYWIED-UHFFFAOYSA-N 2 0 239.407 1.546 20 0 BDADRP C[NH2+]CCCNC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000121220147 173348425 /nfs/dbraw/zinc/34/84/25/173348425.db2.gz REEJCEJKTCJZRM-YPMHNXCESA-N 2 0 249.358 1.048 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](CC[C@H]2CCCO2)C1 ZINC000250702081 173367804 /nfs/dbraw/zinc/36/78/04/173367804.db2.gz DBHZOSFHPBCUEE-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP C[NH2+]C[C@@H]1CCCN1CCC1CC[NH2+]CC1 ZINC000359207435 173368860 /nfs/dbraw/zinc/36/88/60/173368860.db2.gz BBCOEAQWAWAVKA-ZDUSSCGKSA-N 3 0 225.380 1.060 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@@H+]1CC1CCOCC1 ZINC000052173148 173369233 /nfs/dbraw/zinc/36/92/33/173369233.db2.gz XCWKCOMLVYPUNG-LBPRGKRZSA-N 2 0 212.337 1.097 20 0 BDADRP C[NH2+]C[C@H]1CCCN1CCc1scnc1C ZINC000133282110 173379527 /nfs/dbraw/zinc/37/95/27/173379527.db2.gz CDTLKKVMPPSINJ-LLVKDONJSA-N 2 0 239.388 1.678 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](CCCCCF)C1 ZINC000308481675 173380928 /nfs/dbraw/zinc/38/09/28/173380928.db2.gz NAJXNRYICOJGHB-LLVKDONJSA-N 2 0 202.317 1.668 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000295147660 173388562 /nfs/dbraw/zinc/38/85/62/173388562.db2.gz CHPOTQTXMMDPFO-GFCCVEGCSA-N 2 0 247.342 1.344 20 0 BDADRP COC1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000037266524 174029321 /nfs/dbraw/zinc/02/93/21/174029321.db2.gz DVTFFJUNSADVHA-LLVKDONJSA-N 2 0 212.337 1.097 20 0 BDADRP COCC(C)(C)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357058747 174069200 /nfs/dbraw/zinc/06/92/00/174069200.db2.gz WEKRXNQXJVZTDD-RYUDHWBXSA-N 2 0 226.364 1.200 20 0 BDADRP COCC1(C[NH2+]Cc2ccccc2)CC[NH2+]CC1 ZINC000234713321 174102938 /nfs/dbraw/zinc/10/29/38/174102938.db2.gz BFUOQDBVPVIIFC-UHFFFAOYSA-N 2 0 248.370 1.792 20 0 BDADRP COCC1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CCC1 ZINC000310391129 174105616 /nfs/dbraw/zinc/10/56/16/174105616.db2.gz IYCNATFZWQDWAV-QWHCGFSZSA-N 2 0 240.391 1.875 20 0 BDADRP COCC1(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CCC1 ZINC000310391130 174106663 /nfs/dbraw/zinc/10/66/63/174106663.db2.gz IYCNATFZWQDWAV-STQMWFEESA-N 2 0 240.391 1.875 20 0 BDADRP COCC1([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000356363523 174111095 /nfs/dbraw/zinc/11/10/95/174111095.db2.gz QXVNFGQFXADHDQ-CHWSQXEVSA-N 2 0 238.375 1.772 20 0 BDADRP COCCC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000355033981 174143263 /nfs/dbraw/zinc/14/32/63/174143263.db2.gz FRWLXDUEGKHVHW-QWHCGFSZSA-N 2 0 242.407 1.979 20 0 BDADRP COCCCCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357072308 174177505 /nfs/dbraw/zinc/17/75/05/174177505.db2.gz HDKRAXKPXKFDTA-CHWSQXEVSA-N 2 0 226.364 1.344 20 0 BDADRP COCCCC[NH2+][C@](C)(CN)C(C)C ZINC000336692410 174203421 /nfs/dbraw/zinc/20/34/21/174203421.db2.gz QGYAPOUPQMOBCQ-LLVKDONJSA-N 2 0 202.342 1.376 20 0 BDADRP COCCC[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000082666894 174221107 /nfs/dbraw/zinc/22/11/07/174221107.db2.gz CXRMSEUIIWKVGU-LLVKDONJSA-N 2 0 200.326 1.097 20 0 BDADRP COCCC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000020142164 174246861 /nfs/dbraw/zinc/24/68/61/174246861.db2.gz WRAURZKCUGJWET-UHFFFAOYSA-N 2 0 214.353 1.485 20 0 BDADRP COCC[C@@H](C)[NH2+][C@H](C)Cn1ccnc1 ZINC000045025270 174385069 /nfs/dbraw/zinc/38/50/69/174385069.db2.gz HYHVCIYJNFUJPJ-GHMZBOCLSA-N 2 0 211.309 1.286 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+]CCC[NH+](C)C ZINC000309987421 174396476 /nfs/dbraw/zinc/39/64/76/174396476.db2.gz YZALIBUMRICBAH-STQMWFEESA-N 2 0 228.380 1.733 20 0 BDADRP COC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])C(C)C ZINC000309019337 174486399 /nfs/dbraw/zinc/48/63/99/174486399.db2.gz SUHRCUSSPVVYEM-NWDGAFQWSA-N 2 0 216.369 1.765 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+][C@@H](C)CCC[NH3+])C1(C)C ZINC000336666614 174779572 /nfs/dbraw/zinc/77/95/72/174779572.db2.gz DPHQNXJBSMYANW-GARJFASQSA-N 2 0 214.353 1.517 20 0 BDADRP COc1ccc(CC[N@@H+]2CC[C@@H](CC[NH3+])C2)cc1 ZINC000076693051 175091081 /nfs/dbraw/zinc/09/10/81/175091081.db2.gz AKBDHWBLRXFKIP-CQSZACIVSA-N 2 0 248.370 1.908 20 0 BDADRP COc1ccc(OCC[N@H+](C)CCC[NH3+])cc1 ZINC000049829378 175172949 /nfs/dbraw/zinc/17/29/49/175172949.db2.gz HSODRQHVEPGFEH-UHFFFAOYSA-N 2 0 238.331 1.355 20 0 BDADRP COc1cccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000038077990 175260562 /nfs/dbraw/zinc/26/05/62/175260562.db2.gz LWVMXLSHFZGOLM-LBPRGKRZSA-N 2 0 220.316 1.476 20 0 BDADRP COc1cccc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)n1 ZINC000193598195 175261925 /nfs/dbraw/zinc/26/19/25/175261925.db2.gz DZWLHSQKDIYYNI-TXEJJXNPSA-N 2 0 247.342 1.084 20 0 BDADRP COc1cccc(C[NH2+][C@@H]2CCN(C)C2)c1 ZINC000042543802 175267275 /nfs/dbraw/zinc/26/72/75/175267275.db2.gz XYRJHSFCNUQGSY-GFCCVEGCSA-N 2 0 220.316 1.489 20 0 BDADRP COc1ccccc1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000234875161 175327659 /nfs/dbraw/zinc/32/76/59/175327659.db2.gz KIQGNDWYSZNMKI-AWEZNQCLSA-N 2 0 234.343 1.866 20 0 BDADRP COc1ccncc1Cn1cnc(C)c1C ZINC000287878404 175373294 /nfs/dbraw/zinc/37/32/94/175373294.db2.gz SQKJSOQMSOSOFV-UHFFFAOYSA-N 2 0 217.272 1.952 20 0 BDADRP CSC1(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])CCC1 ZINC000235095272 175453649 /nfs/dbraw/zinc/45/36/49/175453649.db2.gz FKSAEPXIZDGFJO-WDEREUQCSA-N 2 0 228.405 1.989 20 0 BDADRP C[C@@H](CC(N)=O)[NH2+]CCCCC[NH+]1CCCC1 ZINC000340479869 175652429 /nfs/dbraw/zinc/65/24/29/175652429.db2.gz NHLSTCKRIHPSJP-LBPRGKRZSA-N 2 0 241.379 1.106 20 0 BDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)CC[NH3+] ZINC000237668538 176070813 /nfs/dbraw/zinc/07/08/13/176070813.db2.gz XPQFUZMOIZDJDC-GFCCVEGCSA-N 2 0 241.379 1.106 20 0 BDADRP C[C@@H]1CCCC[C@H]1[NH2+]C[C@]1(O)CCN(C)C1 ZINC000309761058 176088667 /nfs/dbraw/zinc/08/86/67/176088667.db2.gz ISYGMNCGHQAWDR-JHJVBQTASA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CCOCC[NH+](C)C)[C@H](C)C1 ZINC000300424989 176232899 /nfs/dbraw/zinc/23/28/99/176232899.db2.gz OOEVUCUEQCJXDK-MCIONIFRSA-N 2 0 242.407 1.979 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(CCO)CCC1 ZINC000358294155 176268415 /nfs/dbraw/zinc/26/84/15/176268415.db2.gz JCEBHACSALCCAP-OLZOCXBDSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1ccc(O)cc1 ZINC000358077748 176268623 /nfs/dbraw/zinc/26/86/23/176268623.db2.gz CAPDZILEYFGOKQ-DOMZBBRYSA-N 2 0 248.370 1.865 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCC(C)(C)CO ZINC000305173920 176268934 /nfs/dbraw/zinc/26/89/34/176268934.db2.gz UUSNHWVYFAGYAB-OLZOCXBDSA-N 2 0 242.407 1.715 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000336678285 176268940 /nfs/dbraw/zinc/26/89/40/176268940.db2.gz BPKKZIWCBDMJJN-XQHKEYJVSA-N 2 0 226.364 1.077 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCC[NH+](C)C ZINC000045663922 176279427 /nfs/dbraw/zinc/27/94/27/176279427.db2.gz SWGJRMYSHFCPFX-MGPQQGTHSA-N 3 0 241.423 1.647 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@]1(C)CCOC1 ZINC000361401052 176280327 /nfs/dbraw/zinc/28/03/27/176280327.db2.gz UYLGNUZIYYVCEN-AAVRWANBSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CC(C)(C)O1 ZINC000051919612 176292350 /nfs/dbraw/zinc/29/23/50/176292350.db2.gz OEKOXZOGQCYOCW-OLZOCXBDSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccc3c[nH]nc3c2)CC[C@H]1[NH3+] ZINC000336537752 176304057 /nfs/dbraw/zinc/30/40/57/176304057.db2.gz IEBAYBHRRZGWPX-ZWNOBZJWSA-N 2 0 244.342 1.732 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000104214959 176329956 /nfs/dbraw/zinc/32/99/56/176329956.db2.gz SYNADQUOVXWYMA-OCCSQVGLSA-N 3 0 239.407 1.116 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccsc1 ZINC000126717528 176367632 /nfs/dbraw/zinc/36/76/32/176367632.db2.gz GYPUCNSCKUJHPE-KOLCDFICSA-N 2 0 210.346 1.917 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCC(F)(F)F ZINC000123536206 176368020 /nfs/dbraw/zinc/36/80/20/176368020.db2.gz GSMBCXBVANFBCU-SFYZADRCSA-N 2 0 210.243 1.608 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(F)cc1 ZINC000122305116 176368151 /nfs/dbraw/zinc/36/81/51/176368151.db2.gz FEYHLHVXAXJXNO-PWSUYJOCSA-N 2 0 222.307 1.995 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)c2nccn21 ZINC000335953524 176375759 /nfs/dbraw/zinc/37/57/59/176375759.db2.gz BMIYTZQFCJAVIT-DGCLKSJQSA-N 2 0 248.374 1.820 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)CCO1 ZINC000297385598 176377585 /nfs/dbraw/zinc/37/75/85/176377585.db2.gz AXDZYJKUBAXBAJ-YPMHNXCESA-N 2 0 245.326 1.991 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000336714522 177075402 /nfs/dbraw/zinc/07/54/02/177075402.db2.gz PCJAMCARSXPKSC-KGLIPLIRSA-N 3 0 241.423 1.968 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCC(C)(C)CO ZINC000305173923 177233768 /nfs/dbraw/zinc/23/37/68/177233768.db2.gz UUSNHWVYFAGYAB-QWHCGFSZSA-N 2 0 242.407 1.715 20 0 BDADRP C[C@H]1C[N@H+](CCCCCF)CC[C@H]1[NH3+] ZINC000336678101 177248154 /nfs/dbraw/zinc/24/81/54/177248154.db2.gz DWBVGVGAMCJXDS-WDEREUQCSA-N 2 0 202.317 1.795 20 0 BDADRP C[C@@H]1CNC[C@H](C)[N@H+]1CCC1CC[NH2+]CC1 ZINC000336411648 177285734 /nfs/dbraw/zinc/28/57/34/177285734.db2.gz LDUGRUWJVDMFKU-TXEJJXNPSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccc(O)c1 ZINC000126771293 177361469 /nfs/dbraw/zinc/36/14/69/177361469.db2.gz OWTMIZDXPMWYME-CMPLNLGQSA-N 2 0 220.316 1.561 20 0 BDADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccccn1 ZINC000122297001 177361676 /nfs/dbraw/zinc/36/16/76/177361676.db2.gz BWUZLEDGYPBGCW-WDEREUQCSA-N 2 0 205.305 1.251 20 0 BDADRP C[C@H]1C[C@H](C[N@@H+]2CCOC(C)(C)C2)CC[NH2+]1 ZINC000235662274 177362077 /nfs/dbraw/zinc/36/20/77/177362077.db2.gz QPXMERORNCXHHA-NWDGAFQWSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H]1C[C@H](C[NH+]2CCSCC2)CC[NH2+]1 ZINC000235662515 177362586 /nfs/dbraw/zinc/36/25/86/177362586.db2.gz CGHUVRARBRLIRI-WDEREUQCSA-N 2 0 214.378 1.423 20 0 BDADRP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc(C[NH3+])cc1 ZINC000193590553 177395016 /nfs/dbraw/zinc/39/50/16/177395016.db2.gz ROCKTUDGNJNOFU-MFKMUULPSA-N 2 0 247.342 1.016 20 0 BDADRP COC[C@@]1(C)CC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000487046467 225283385 /nfs/dbraw/zinc/28/33/85/225283385.db2.gz QHQMUAURKRZCIL-KBPBESRZSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@@H]([NH2+]CCCC[NH+](C)C)[C@H]1CCC[NH2+]1 ZINC000400360841 226341742 /nfs/dbraw/zinc/34/17/42/226341742.db2.gz DARINEFCCJOTEL-VXGBXAGGSA-N 3 0 213.369 1.058 20 0 BDADRP C[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]1)c1cn[nH]c1 ZINC000400381310 226342387 /nfs/dbraw/zinc/34/23/87/226342387.db2.gz KIUFVYQYKOHKHX-QXEWZRGKSA-N 2 0 208.309 1.201 20 0 BDADRP CO[C@@H]1CC[C@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000400498020 226344900 /nfs/dbraw/zinc/34/49/00/226344900.db2.gz HUFIMZOVQFYRRT-NNYUYHANSA-N 2 0 212.337 1.284 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000400507460 226345234 /nfs/dbraw/zinc/34/52/34/226345234.db2.gz KKJDASUSAHUVBU-KXNHARMFSA-N 2 0 212.337 1.284 20 0 BDADRP C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000400737831 226350833 /nfs/dbraw/zinc/35/08/33/226350833.db2.gz SBCMXWLZTMSTBV-RVMXOQNASA-N 2 0 225.380 1.199 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000400905044 226352160 /nfs/dbraw/zinc/35/21/60/226352160.db2.gz AGKBKJGHTWTPFO-XYJRDEOASA-N 2 0 208.349 1.763 20 0 BDADRP Cc1cc(CO)cc(N(C)C[C@H]2CCC[N@@H+]2C)n1 ZINC000228450540 487652875 /nfs/dbraw/zinc/65/28/75/487652875.db2.gz NXYFAXKMGIJSPH-CYBMUJFWSA-N 2 0 249.358 1.413 20 0 BDADRP C[NH2+]CCC1CCN(C[C@H]([NH3+])CC(C)C)CC1 ZINC000414657887 487661402 /nfs/dbraw/zinc/66/14/02/487661402.db2.gz IGNGLBLLDBZDCO-CQSZACIVSA-N 2 0 241.423 1.681 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CSC[C@H]1C ZINC000397805624 262935126 /nfs/dbraw/zinc/93/51/26/262935126.db2.gz NAJVBDMVTFMLSV-OUAUKWLOSA-N 2 0 232.393 1.081 20 0 BDADRP C[C@H](CCCC[NH3+])NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653142000 487702125 /nfs/dbraw/zinc/70/21/25/487702125.db2.gz XSIYNZDWYYAVBK-NEPJUHHUSA-N 2 0 241.379 1.010 20 0 BDADRP C[C@@H](O)CN(C)C[C@@H]([NH3+])CCC(C)(C)C ZINC000904335599 584866337 /nfs/dbraw/zinc/86/63/37/584866337.db2.gz GUVVMJINBJSBOC-MNOVXSKESA-N 2 0 216.369 1.453 20 0 BDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)CCC(C)(C)[NH3+] ZINC000226396841 487731457 /nfs/dbraw/zinc/73/14/57/487731457.db2.gz PRYCVNYJQIXIOI-LLVKDONJSA-N 2 0 243.395 1.350 20 0 BDADRP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)[nH]n1 ZINC000671748174 487742892 /nfs/dbraw/zinc/74/28/92/487742892.db2.gz JZYJZLUANHRDHB-MJBXVCDLSA-N 2 0 248.374 1.681 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000289300141 487747210 /nfs/dbraw/zinc/74/72/10/487747210.db2.gz RZPAKIABZLGOTN-RTXFEEFZSA-N 2 0 247.342 1.025 20 0 BDADRP C[C@@H](c1ccncc1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000222999231 487749229 /nfs/dbraw/zinc/74/92/29/487749229.db2.gz VHAOIEBUEBQWHF-QWRGUYRKSA-N 2 0 205.305 1.423 20 0 BDADRP COC1CC[NH+](CCNc2cc[nH+]c(C)c2)CC1 ZINC000681391090 487791437 /nfs/dbraw/zinc/79/14/37/487791437.db2.gz WXMFEHAKBKWXEB-UHFFFAOYSA-N 2 0 249.358 1.335 20 0 BDADRP CO[C@@H](C[NH2+]CCC[N@H+](C)C(C)C)C1CC1 ZINC000400290435 487791685 /nfs/dbraw/zinc/79/16/85/487791685.db2.gz WCXXIZXEBQALPM-ZDUSSCGKSA-N 2 0 228.380 1.731 20 0 BDADRP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H]2CCCOC2)C1 ZINC000674302636 487799951 /nfs/dbraw/zinc/79/99/51/487799951.db2.gz PNFIHLNQHSXBOC-ZIAGYGMSSA-N 2 0 240.391 1.829 20 0 BDADRP CCO[C@@H]1C[C@H]([N@H+](C)CCC[NH3+])C12CCC2 ZINC000414697664 487817388 /nfs/dbraw/zinc/81/73/88/487817388.db2.gz CPYGIKOGVPLZCR-NWDGAFQWSA-N 2 0 226.364 1.615 20 0 BDADRP CCO[C@@H]1C[C@@H]([N@H+](C)CCC[NH3+])C12CCC2 ZINC000414697668 487817418 /nfs/dbraw/zinc/81/74/18/487817418.db2.gz CPYGIKOGVPLZCR-VXGBXAGGSA-N 2 0 226.364 1.615 20 0 BDADRP [NH3+]CCC[N@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000414704880 487819136 /nfs/dbraw/zinc/81/91/36/487819136.db2.gz DPGBUURULUXFKY-OAHLLOKOSA-N 2 0 248.370 1.608 20 0 BDADRP CCC1(CC)[C@H]([N@H+](C)CCC[NH3+])C[C@@H]1OC ZINC000414702200 487819384 /nfs/dbraw/zinc/81/93/84/487819384.db2.gz HTRCEOKNODABCM-NEPJUHHUSA-N 2 0 228.380 1.861 20 0 BDADRP C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000307587421 487819410 /nfs/dbraw/zinc/81/94/10/487819410.db2.gz TXQUJQUDJHWLLK-VLEAKVRGSA-N 2 0 214.378 1.740 20 0 BDADRP CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1CCC[NH3+] ZINC000414730744 487820362 /nfs/dbraw/zinc/82/03/62/487820362.db2.gz ARCGOHDXFDFHTQ-CQSZACIVSA-N 2 0 247.386 1.936 20 0 BDADRP Cc1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)cn1 ZINC000414827182 487825497 /nfs/dbraw/zinc/82/54/97/487825497.db2.gz GVFFGXSGLSKKTK-GFCCVEGCSA-N 2 0 219.332 1.479 20 0 BDADRP CC(C)(CO)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000252722465 487830825 /nfs/dbraw/zinc/83/08/25/487830825.db2.gz QPEUSBGGYGHMHJ-YNEHKIRRSA-N 2 0 240.391 1.515 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000564456820 322957014 /nfs/dbraw/zinc/95/70/14/322957014.db2.gz ZSGTVUCMWVWNBK-NXEZZACHSA-N 2 0 247.342 1.145 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1Cc2ccccc21 ZINC000234728647 487868153 /nfs/dbraw/zinc/86/81/53/487868153.db2.gz PHLVKEUOXFDQEN-ZIAGYGMSSA-N 2 0 248.370 1.670 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(C)o1 ZINC000234794058 487878836 /nfs/dbraw/zinc/87/88/36/487878836.db2.gz CWLKQKZEBLULPI-NSHDSACASA-N 2 0 226.320 1.432 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]Cc1cnc2ccccn12 ZINC000666825521 487881742 /nfs/dbraw/zinc/88/17/42/487881742.db2.gz WLBWZUKYWFCFQC-SNVBAGLBSA-N 2 0 218.304 1.019 20 0 BDADRP C[C@H](CC1CCC1)[NH2+]CCN1CC[NH2+]CC1 ZINC000666816562 487885851 /nfs/dbraw/zinc/88/58/51/487885851.db2.gz HKOIRIGOLMMNIU-GFCCVEGCSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@H](CN1CCN(C)C[C@@H]1C[NH3+])C(C)(C)C ZINC000304319416 487886419 /nfs/dbraw/zinc/88/64/19/487886419.db2.gz RUIWZQFQILSUFU-NEPJUHHUSA-N 2 0 227.396 1.243 20 0 BDADRP [NH3+][C@@H](C[NH2+]C[C@@H]1CCOc2ccccc21)C1CC1 ZINC000666834209 487888186 /nfs/dbraw/zinc/88/81/86/487888186.db2.gz CBKJBQOCVAKMFF-JSGCOSHPSA-N 2 0 246.354 1.880 20 0 BDADRP CC[N@@H+]1CC[C@H](N[C@@H]2CCC[NH2+]CC2)[C@H](C)C1 ZINC000666857763 487892085 /nfs/dbraw/zinc/89/20/85/487892085.db2.gz IIJDIUJFZPQFGC-MCIONIFRSA-N 2 0 239.407 1.448 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN[C@@H]1CCC[NH2+]CC1 ZINC000666859017 487893186 /nfs/dbraw/zinc/89/31/86/487893186.db2.gz VOPOUUFLXWVVKX-VXGBXAGGSA-N 2 0 213.369 1.092 20 0 BDADRP Cc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)nc1 ZINC000666952314 487914114 /nfs/dbraw/zinc/91/41/14/487914114.db2.gz QKJZTKFQNHQGCU-ZDUSSCGKSA-N 2 0 231.343 1.622 20 0 BDADRP C[C@H]1CN(CCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000396348399 487914403 /nfs/dbraw/zinc/91/44/03/487914403.db2.gz FEMXWXHZDPAMCE-AWEZNQCLSA-N 2 0 247.386 1.542 20 0 BDADRP COC[C@@H](C)C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666953714 487916245 /nfs/dbraw/zinc/91/62/45/487916245.db2.gz FURLDCXCTFNTFL-WDEREUQCSA-N 2 0 212.337 1.001 20 0 BDADRP C[C@H](CC1CCC1)[NH2+]C[C@H]1CNCCO1 ZINC000667037300 487933033 /nfs/dbraw/zinc/93/30/33/487933033.db2.gz YYQFIPAEQLKOCS-ZYHUDNBSSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H]1CC[N@H+](CC2(F)CC2)C[C@@H]1C[NH3+] ZINC000667040109 487933395 /nfs/dbraw/zinc/93/33/95/487933395.db2.gz OBOGBXBPVBRPLN-UWVGGRQHSA-N 2 0 200.301 1.405 20 0 BDADRP CC(C)Cn1cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cn1 ZINC000564729852 323011917 /nfs/dbraw/zinc/01/19/17/323011917.db2.gz USPNNLRGNPJSCS-NEPJUHHUSA-N 2 0 238.379 1.755 20 0 BDADRP C[C@H](O)C[C@H](C)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000248159252 323016430 /nfs/dbraw/zinc/01/64/30/323016430.db2.gz RWEZERINVUKHGS-RNJOBUHISA-N 2 0 228.380 1.466 20 0 BDADRP CC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@H]1C[C@@H]1C ZINC000397506392 323029937 /nfs/dbraw/zinc/02/99/37/323029937.db2.gz DKAAGVJLFPZILW-AVGNSLFASA-N 2 0 240.391 1.467 20 0 BDADRP C[C@@H](NC[C@H]1CCC[N@H+](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000567642481 323034409 /nfs/dbraw/zinc/03/44/09/323034409.db2.gz IFGYKDRFNMDHLQ-MCIONIFRSA-N 2 0 239.407 1.448 20 0 BDADRP CCCC[N@H+](C)C[C@@H](C)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000569988861 323046716 /nfs/dbraw/zinc/04/67/16/323046716.db2.gz XEQAKTCJDFIHGE-RDBSUJKOSA-N 2 0 241.423 1.966 20 0 BDADRP C[NH2+]CCSCCC[NH+]1CCCCC1 ZINC000570330078 323056401 /nfs/dbraw/zinc/05/64/01/323056401.db2.gz WFALMFORWRLGSY-UHFFFAOYSA-N 2 0 216.394 1.815 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCOCC1CCC1 ZINC000570389080 323058021 /nfs/dbraw/zinc/05/80/21/323058021.db2.gz OWHCBUHZWOMDQV-QWHCGFSZSA-N 2 0 226.364 1.520 20 0 BDADRP C[C@]1(C[NH+]2CCC(CCO)CC2)CC[NH2+]C1 ZINC000570396388 323058425 /nfs/dbraw/zinc/05/84/25/323058425.db2.gz JTQNBZNIJFZKSD-ZDUSSCGKSA-N 2 0 226.364 1.080 20 0 BDADRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]CC2(O)CCC2)C1 ZINC000567683543 323059702 /nfs/dbraw/zinc/05/97/02/323059702.db2.gz QRVXOGAZPKTSTG-NEPJUHHUSA-N 2 0 226.364 1.364 20 0 BDADRP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000570792710 323070391 /nfs/dbraw/zinc/07/03/91/323070391.db2.gz ISTRILRJFAXBCM-WISYIIOYSA-N 2 0 226.364 1.395 20 0 BDADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)C(C)(C)C)C1 ZINC000563007272 323079488 /nfs/dbraw/zinc/07/94/88/323079488.db2.gz HQKXIUOXBVPTPQ-QWHCGFSZSA-N 2 0 242.407 1.715 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)C(C)(C)C)C1 ZINC000563007270 323079568 /nfs/dbraw/zinc/07/95/68/323079568.db2.gz HQKXIUOXBVPTPQ-CHWSQXEVSA-N 2 0 242.407 1.715 20 0 BDADRP CC[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)C1CCC1 ZINC000397576721 323081098 /nfs/dbraw/zinc/08/10/98/323081098.db2.gz GIXHGQNAJIMRNR-CYBMUJFWSA-N 2 0 240.391 1.611 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@@H](F)C1 ZINC000563154566 323095750 /nfs/dbraw/zinc/09/57/50/323095750.db2.gz PVCPGDMPJTYWSQ-USZNOCQGSA-N 2 0 214.328 1.984 20 0 BDADRP C[C@@H]([NH2+]CCc1ccc(F)cc1F)C1C[NH2+]C1 ZINC000564793148 323101727 /nfs/dbraw/zinc/10/17/27/323101727.db2.gz BHTCFRGKTAPASM-SECBINFHSA-N 2 0 240.297 1.705 20 0 BDADRP CCC[NH+]1CCC(C[NH2+]C[C@H](C)O)CC1 ZINC000563617430 323131774 /nfs/dbraw/zinc/13/17/74/323131774.db2.gz DCPHYGAOJFFSHY-NSHDSACASA-N 2 0 214.353 1.079 20 0 BDADRP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)C[N@H+](C)CC ZINC000310541204 323133018 /nfs/dbraw/zinc/13/30/18/323133018.db2.gz QYHQBOUQQSGBAS-MCIONIFRSA-N 2 0 242.407 1.857 20 0 BDADRP CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000571111892 323135864 /nfs/dbraw/zinc/13/58/64/323135864.db2.gz CJGNMHZXBHFLGY-RKQHYHRCSA-N 2 0 238.375 1.626 20 0 BDADRP OC1(C[NH2+]CCCCC[NH+]2CCCC2)CCC1 ZINC000571315628 323141258 /nfs/dbraw/zinc/14/12/58/323141258.db2.gz KOIBIMCBVKDCMF-UHFFFAOYSA-N 2 0 240.391 1.757 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCOC[C@H]1CCCO1 ZINC000571432339 323144605 /nfs/dbraw/zinc/14/46/05/323144605.db2.gz VDPKQBRILGSEJG-JHJVBQTASA-N 2 0 242.363 1.042 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3c[nH]nc3C2)C1 ZINC000571581999 323148515 /nfs/dbraw/zinc/14/85/15/323148515.db2.gz WRGTWFGPFRXIJT-GRYCIOLGSA-N 2 0 234.347 1.127 20 0 BDADRP C(C[C@@H]1CCC[NH2+]C1)[NH2+]C[C@@H]1CCSC1 ZINC000414842494 323151649 /nfs/dbraw/zinc/15/16/49/323151649.db2.gz OYGQCOORAGZFNL-RYUDHWBXSA-N 2 0 228.405 1.719 20 0 BDADRP C[C@@H]1CCC[C@H]([NH2+]CCN2CC[NH2+]CC2)[C@H]1C ZINC000414893944 323151803 /nfs/dbraw/zinc/15/18/03/323151803.db2.gz ZRGJJZAQGIWPHH-RDBSUJKOSA-N 2 0 239.407 1.306 20 0 BDADRP CCOC[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414960288 323152284 /nfs/dbraw/zinc/15/22/84/323152284.db2.gz YBZNRRDXUDVMHN-OUAUKWLOSA-N 2 0 200.326 1.142 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)[C@@H]1CCOC1 ZINC000305255365 323168790 /nfs/dbraw/zinc/16/87/90/323168790.db2.gz BKWXRCHQOMCTIU-MCIONIFRSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cn[nH]c1 ZINC000571669743 323177456 /nfs/dbraw/zinc/17/74/56/323177456.db2.gz QGNQDPWEKRSAGM-TVYUQYBPSA-N 2 0 234.347 1.448 20 0 BDADRP C[C@H](C[NH3+])NC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000417804470 323185001 /nfs/dbraw/zinc/18/50/01/323185001.db2.gz GLPMCNJDCZFCEQ-ZYHUDNBSSA-N 2 0 249.358 1.176 20 0 BDADRP C[C@@H]1CC[C@H](O)C[N@@H+]1CCCn1ccnc1 ZINC000399303302 323203373 /nfs/dbraw/zinc/20/33/73/323203373.db2.gz XZWCEWHHJCOVRZ-NEPJUHHUSA-N 2 0 223.320 1.118 20 0 BDADRP CCOC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000054243740 323203535 /nfs/dbraw/zinc/20/35/35/323203535.db2.gz UDTXPWJCQGCZNA-RYUDHWBXSA-N 2 0 214.353 1.343 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]([NH3+])C2CC2)C1(C)C ZINC000399324356 323203878 /nfs/dbraw/zinc/20/38/78/323203878.db2.gz KGCOAZJIAFEUGD-QJPTWQEYSA-N 2 0 226.364 1.517 20 0 BDADRP C[C@@H]([NH2+]CC12CC(C1)CO2)[C@@H]1CCC[NH2+]C1 ZINC000530218328 323217647 /nfs/dbraw/zinc/21/76/47/323217647.db2.gz FMSDWQNSUOJTBO-CQLXCSJHSA-N 2 0 224.348 1.143 20 0 BDADRP C1CC1[C@@H]([NH2+]C1CC[NH2+]CC1)C1CCC1 ZINC000325027212 323308977 /nfs/dbraw/zinc/30/89/77/323308977.db2.gz HZZOVTPNBKFINY-ZDUSSCGKSA-N 2 0 208.349 1.907 20 0 BDADRP C[C@@H]([NH3+])[C@H](C)[NH2+][C@H](C)CCc1ccco1 ZINC000309125174 323318099 /nfs/dbraw/zinc/31/80/99/323318099.db2.gz WALLEHHLKNDVTB-MXWKQRLJSA-N 2 0 210.321 1.926 20 0 BDADRP Cc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000571753092 323472790 /nfs/dbraw/zinc/47/27/90/323472790.db2.gz VPTQVCRPLAZFCD-YIONKMFJSA-N 2 0 245.370 1.805 20 0 BDADRP Cc1ccc(CN(C)[C@@H](C[NH3+])C2CC2)nc1 ZINC000126558839 487961296 /nfs/dbraw/zinc/96/12/96/487961296.db2.gz UGIHPMREYRUYOY-ZDUSSCGKSA-N 2 0 219.332 1.559 20 0 BDADRP COC[C@H](C)C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000123101585 324083117 /nfs/dbraw/zinc/08/31/17/324083117.db2.gz LGDOUWKRTWYOQH-VXGBXAGGSA-N 2 0 226.364 1.343 20 0 BDADRP CC[C@H]([NH2+]C[C@H](C)C[NH+](C)C)C1CCOCC1 ZINC000521736680 324191829 /nfs/dbraw/zinc/19/18/29/324191829.db2.gz UVWXTPMYMILRFU-JSGCOSHPSA-N 2 0 242.407 1.979 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000530220017 324538370 /nfs/dbraw/zinc/53/83/70/324538370.db2.gz AYDQNHJYUZHNFU-HGWFIAQESA-N 2 0 214.353 1.514 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC23CC(C2)CO3)C1 ZINC000530224045 324544157 /nfs/dbraw/zinc/54/41/57/324544157.db2.gz VWJPUCPDVVARJE-UPOSSJBDSA-N 2 0 210.321 1.025 20 0 BDADRP COC[C@@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130248659 325030390 /nfs/dbraw/zinc/03/03/90/325030390.db2.gz PRJKEOUJVZLPTB-IJLUTSLNSA-N 2 0 212.337 1.238 20 0 BDADRP C[NH2+]Cc1ccccc1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000131635275 325172277 /nfs/dbraw/zinc/17/22/77/325172277.db2.gz FALCAPWUWFRTNS-GFCCVEGCSA-N 2 0 247.342 1.344 20 0 BDADRP C([NH2+][C@@H]1CCC12CCOCC2)[C@@H]1CCC[NH2+]C1 ZINC000564791793 325809323 /nfs/dbraw/zinc/80/93/23/325809323.db2.gz HORZWISPGZLWIK-CHWSQXEVSA-N 2 0 238.375 1.535 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1CC(C)(C)C1 ZINC000565357497 325900398 /nfs/dbraw/zinc/90/03/98/325900398.db2.gz FUZQWJWGUWQYNM-DRZSPHRISA-N 2 0 240.391 1.765 20 0 BDADRP C[C@]1(C[NH2+][C@H]2CCc3cc(N)ccc32)CC[NH2+]C1 ZINC000565608783 325934987 /nfs/dbraw/zinc/93/49/87/325934987.db2.gz IXQCIJVWNWUOBH-GJZGRUSLSA-N 2 0 245.370 1.845 20 0 BDADRP Cc1cccc(CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000566483342 326056335 /nfs/dbraw/zinc/05/63/35/326056335.db2.gz VBLHJMCRDWNMOJ-TZMCWYRMSA-N 2 0 233.359 1.792 20 0 BDADRP CC(C)[N@@H+](C)C[C@H](C)N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000566648780 326071260 /nfs/dbraw/zinc/07/12/60/326071260.db2.gz CVCSRHHNYLDSAL-IHRRRGAJSA-N 2 0 241.423 1.787 20 0 BDADRP C[NH2+]CCCc1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000566678062 326073560 /nfs/dbraw/zinc/07/35/60/326073560.db2.gz ONKLYOQUGPONQX-UHFFFAOYSA-N 2 0 246.314 1.347 20 0 BDADRP c1nc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)co1 ZINC000566678681 326073638 /nfs/dbraw/zinc/07/36/38/326073638.db2.gz HUTUVBAVGQGXMM-RYUDHWBXSA-N 2 0 235.331 1.496 20 0 BDADRP C[C@@H]([NH2+][C@H](CO)C1CCCCC1)[C@H]1CCC[NH2+]1 ZINC000566850015 326086947 /nfs/dbraw/zinc/08/69/47/326086947.db2.gz WJIYVESVBJGYLT-MRVWCRGKSA-N 2 0 240.391 1.658 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+][C@H]1CCC12CCOCC2 ZINC000567343967 326168177 /nfs/dbraw/zinc/16/81/77/326168177.db2.gz JJZSUSUPUMKNFH-NEPJUHHUSA-N 2 0 226.364 1.391 20 0 BDADRP CC[C@H]1CCC[C@H]1NCc1noc(CN)n1 ZINC000567386765 326181265 /nfs/dbraw/zinc/18/12/65/326181265.db2.gz CUTDOODNWXHLES-DTWKUNHWSA-N 2 0 224.308 1.197 20 0 BDADRP CC[N@@H+]1CC[C@@H](NCC[NH+](C)C(C)C)[C@H](C)C1 ZINC000155750312 326210586 /nfs/dbraw/zinc/21/05/86/326210586.db2.gz RZQWFTWAZCDXSE-ZIAGYGMSSA-N 2 0 241.423 1.647 20 0 BDADRP C[C@@H]1C[C@@H](NC[C@@H]2CCC[NH+](C)C2)CC[N@@H+]1C ZINC000156291568 326226755 /nfs/dbraw/zinc/22/67/55/326226755.db2.gz INDOTURNRCUUBV-RDBSUJKOSA-N 2 0 239.407 1.401 20 0 BDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CC[NH3+] ZINC000567837947 326267176 /nfs/dbraw/zinc/26/71/76/326267176.db2.gz DOSGOMTYFMKLFW-NEPJUHHUSA-N 2 0 241.379 1.103 20 0 BDADRP C[C@H]([NH3+])c1ccc(C(=O)NCCCC[NH3+])cc1 ZINC000567839863 326267829 /nfs/dbraw/zinc/26/78/29/326267829.db2.gz UBXHNVMQSAYKFP-JTQLQIEISA-N 2 0 235.331 1.175 20 0 BDADRP COCC[C@H](C)[NH2+]CCCC[NH+]1CCOCC1 ZINC000158837095 326344528 /nfs/dbraw/zinc/34/45/28/326344528.db2.gz PMISBFVJYDLZFE-ZDUSSCGKSA-N 2 0 244.379 1.113 20 0 BDADRP [NH3+]C[C@H]1CC[C@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC000568381935 326351845 /nfs/dbraw/zinc/35/18/45/326351845.db2.gz YPHZQVGIOJNMLB-CABZTGNLSA-N 2 0 208.349 1.892 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)[C@@H]1CCC[NH2+]C1 ZINC000568856561 326379395 /nfs/dbraw/zinc/37/93/95/326379395.db2.gz XGGCWQYMVJIXDX-IRCOFANPSA-N 2 0 214.328 1.855 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CCOCC1CCC1 ZINC000569106261 326390469 /nfs/dbraw/zinc/39/04/69/326390469.db2.gz RCKLEMHCILQPTL-LLVKDONJSA-N 2 0 214.353 1.520 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CCC[NH2+]C1 ZINC000572822559 326412863 /nfs/dbraw/zinc/41/28/63/326412863.db2.gz PNJDECXCJJYOHG-CRWXNKLISA-N 3 0 239.407 1.482 20 0 BDADRP CC(C)OCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000158923367 487983660 /nfs/dbraw/zinc/98/36/60/487983660.db2.gz GFRIAZFKXLIQTK-QWRGUYRKSA-N 2 0 200.326 1.271 20 0 BDADRP C[C@@H]1C[C@@H]1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000488318917 533714340 /nfs/dbraw/zinc/71/43/40/533714340.db2.gz BRQJTNINRNGEBP-JHJVBQTASA-N 2 0 210.365 1.916 20 0 BDADRP C[C@H]([NH2+]CC1CCOCC1)C1CC[NH+](C)CC1 ZINC000111157316 488008650 /nfs/dbraw/zinc/00/86/50/488008650.db2.gz VFIOEHSPOWZCGX-LBPRGKRZSA-N 2 0 240.391 1.733 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000401005699 488016096 /nfs/dbraw/zinc/01/60/96/488016096.db2.gz DLWSWZWNLAHZDW-REWJHTLYSA-N 2 0 238.375 1.389 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401067079 488025219 /nfs/dbraw/zinc/02/52/19/488025219.db2.gz ZKEIVBKDGARMJV-FQUUOJAGSA-N 2 0 240.391 1.515 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@@H](O)C2)c2ccccc21 ZINC000227550838 488028459 /nfs/dbraw/zinc/02/84/59/488028459.db2.gz TZBDATARGYFGRM-FKGLVLAHSA-N 2 0 246.354 1.882 20 0 BDADRP CC(C)(C)OCCCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000682755525 488030217 /nfs/dbraw/zinc/03/02/17/488030217.db2.gz RVYIZYAWTASHEF-CHWSQXEVSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H](O)CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000682761925 488033253 /nfs/dbraw/zinc/03/32/53/488033253.db2.gz VHYAJQPYDMDPAE-CYBMUJFWSA-N 2 0 249.358 1.365 20 0 BDADRP CC(C)C[C@@H](CNC(=O)CC(C)(C)[NH3+])[NH+](C)C ZINC000084184304 488034739 /nfs/dbraw/zinc/03/47/39/488034739.db2.gz DSRUIKHYYWPOED-NSHDSACASA-N 2 0 243.395 1.206 20 0 BDADRP C(N1CCCC[C@H]1[C@@H]1CCC[NH2+]1)[C@]12C[C@H]1C[NH2+]C2 ZINC000663493633 488043222 /nfs/dbraw/zinc/04/32/22/488043222.db2.gz CBQBMDBBQVNZBY-ZQDZILKHSA-N 2 0 249.402 1.202 20 0 BDADRP C[NH2+]C[C@H](C)N[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000663515006 488058418 /nfs/dbraw/zinc/05/84/18/488058418.db2.gz XWSKJSJIRFJLJP-AEGPPILISA-N 2 0 247.386 1.677 20 0 BDADRP Cc1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)ncn1 ZINC000257656211 488077263 /nfs/dbraw/zinc/07/72/63/488077263.db2.gz FIINSNIKVGPYKH-UHFFFAOYSA-N 2 0 246.358 1.361 20 0 BDADRP Cc1ncccc1CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257734373 488085971 /nfs/dbraw/zinc/08/59/71/488085971.db2.gz XQFMFQRNGIJXGT-HNNXBMFYSA-N 2 0 245.370 1.966 20 0 BDADRP Cc1ccnc(CN2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000683009066 488089061 /nfs/dbraw/zinc/08/90/61/488089061.db2.gz HIPBZJHZCMCTDX-ZDUSSCGKSA-N 2 0 233.359 1.774 20 0 BDADRP COCCCC[N@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000397380967 488116881 /nfs/dbraw/zinc/11/68/81/488116881.db2.gz HMWUMNTXIKKYBU-ZDUSSCGKSA-N 2 0 246.395 1.046 20 0 BDADRP C[C@@H]1OCC[C@]1(C)[NH2+]CCN1CCC(C)CC1 ZINC000683146786 488120252 /nfs/dbraw/zinc/12/02/52/488120252.db2.gz NWFIHXCSCOHLFJ-KBPBESRZSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1nccn1CCC[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000667794325 488121961 /nfs/dbraw/zinc/12/19/61/488121961.db2.gz DYYYGYRHUDHKIW-UONOGXRCSA-N 2 0 249.358 1.739 20 0 BDADRP Cc1nccn1CCC[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000667794326 488122371 /nfs/dbraw/zinc/12/23/71/488122371.db2.gz DYYYGYRHUDHKIW-ZIAGYGMSSA-N 2 0 249.358 1.739 20 0 BDADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000397616267 488125084 /nfs/dbraw/zinc/12/50/84/488125084.db2.gz UJCXMDWADAZHSV-AGIUHOORSA-N 2 0 238.375 1.221 20 0 BDADRP C[C@H](O)C1([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000668698462 488130229 /nfs/dbraw/zinc/13/02/29/488130229.db2.gz CGMAMEOCQFQQSD-SDDRHHMPSA-N 2 0 224.348 1.116 20 0 BDADRP Cc1cc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)[nH]n1 ZINC000675893342 488132434 /nfs/dbraw/zinc/13/24/34/488132434.db2.gz KEQVSTILKKUEID-NSHDSACASA-N 2 0 236.363 1.538 20 0 BDADRP Cc1ncc(C[N@H+]2C[C@@H](O)CC[C@H]2C)n1C ZINC000668245121 487549630 /nfs/dbraw/zinc/54/96/30/487549630.db2.gz UDYNYVVLTDILKX-SKDRFNHKSA-N 2 0 223.320 1.074 20 0 BDADRP Cn1ccnc1[C@@H]1CC[N@H+](Cc2cn[nH]c2)C1 ZINC000685463065 487530567 /nfs/dbraw/zinc/53/05/67/487530567.db2.gz OTHLWBCTDRKRGW-LLVKDONJSA-N 2 0 231.303 1.133 20 0 BDADRP C[C@@H]1C[C@H]1C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668785264 487531735 /nfs/dbraw/zinc/53/17/35/487531735.db2.gz OZEINANGRPAZCA-RDBSUJKOSA-N 2 0 240.391 1.685 20 0 BDADRP [NH3+][C@H]1CCCN(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662236170 487470965 /nfs/dbraw/zinc/47/09/65/487470965.db2.gz VAAWVYWBAGKVPL-AWEZNQCLSA-N 2 0 245.370 1.255 20 0 BDADRP CCN(CC[NH3+])Cc1ccc(F)c(C)c1 ZINC000231819644 487477730 /nfs/dbraw/zinc/47/77/30/487477730.db2.gz XMYOVWVWIFJPTF-UHFFFAOYSA-N 2 0 210.296 1.915 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H]2CC[C@@H](C)O2)CC[C@@H]1[NH3+] ZINC000227052461 487484661 /nfs/dbraw/zinc/48/46/61/487484661.db2.gz TZBXVQJDUAHLEG-NDBYEHHHSA-N 2 0 226.364 1.613 20 0 BDADRP CCC1(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)COC1 ZINC000393977121 487496084 /nfs/dbraw/zinc/49/60/84/487496084.db2.gz KLFKHZLZHCJAKM-MNOVXSKESA-N 2 0 212.337 1.273 20 0 BDADRP OCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000674006201 487496309 /nfs/dbraw/zinc/49/63/09/487496309.db2.gz OHLFFWFOXSEGGB-UHFFFAOYSA-N 2 0 240.391 1.567 20 0 BDADRP COCCCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000086403750 487500853 /nfs/dbraw/zinc/50/08/53/487500853.db2.gz NGGREKFTHFPBCG-QWRGUYRKSA-N 2 0 200.326 1.273 20 0 BDADRP CNC(=O)[C@H](CC(C)C)[NH2+]C1CCC([NH3+])CC1 ZINC000094085848 487512213 /nfs/dbraw/zinc/51/22/13/487512213.db2.gz OZMQYLXXFOHGPJ-MCIGGMRASA-N 2 0 241.379 1.007 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[C@H](O)C2)C1 ZINC000300376567 487510194 /nfs/dbraw/zinc/51/01/94/487510194.db2.gz LMWXXQQTELARQU-WYUUTHIRSA-N 2 0 212.337 1.007 20 0 BDADRP CC(C)[C@@H]1CN(C[C@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC000649592835 487766801 /nfs/dbraw/zinc/76/68/01/487766801.db2.gz YHYLBFCTECAFOD-KGLIPLIRSA-N 2 0 239.407 1.353 20 0 BDADRP COc1ccccc1CC[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000258852129 488139075 /nfs/dbraw/zinc/13/90/75/488139075.db2.gz HYNJMXFYPXCISE-ZDUSSCGKSA-N 2 0 248.370 1.779 20 0 BDADRP COc1ccccc1CC[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000258852126 488139743 /nfs/dbraw/zinc/13/97/43/488139743.db2.gz HYNJMXFYPXCISE-CYBMUJFWSA-N 2 0 248.370 1.779 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657859209 488152472 /nfs/dbraw/zinc/15/24/72/488152472.db2.gz RBVOKQATTJDJPO-NEPJUHHUSA-N 2 0 226.364 1.628 20 0 BDADRP CC(C)C[C@H]([NH3+])c1noc([C@H](C[NH3+])C(C)C)n1 ZINC000339395254 488155055 /nfs/dbraw/zinc/15/50/55/488155055.db2.gz JTSIIBWSPMTWCQ-ZJUUUORDSA-N 2 0 240.351 1.814 20 0 BDADRP Cn1nccc1CC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000230775585 488156692 /nfs/dbraw/zinc/15/66/92/488156692.db2.gz QBMLAGXPFHSJDH-IACUBPJLSA-N 2 0 248.374 1.022 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cnc3n2CCC3)CC[C@H]1O ZINC000668011440 488184148 /nfs/dbraw/zinc/18/41/48/488184148.db2.gz BBJDMYOPGSENOX-ZYHUDNBSSA-N 2 0 235.331 1.032 20 0 BDADRP CC[C@@H](C)[N@H+](CC)CCN1CC[NH2+]CC1 ZINC000037482573 488186860 /nfs/dbraw/zinc/18/68/60/488186860.db2.gz JHCMTHHETPBJDS-GFCCVEGCSA-N 2 0 213.369 1.012 20 0 BDADRP Cc1ncc(CN2C[C@H](C)O[C@@H](C)[C@@H]2C)n1C ZINC000668031928 488190653 /nfs/dbraw/zinc/19/06/53/488190653.db2.gz MUOLFAPEZLFIBP-DCAQKATOSA-N 2 0 237.347 1.726 20 0 BDADRP C(C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)C1CCC1 ZINC000398662625 488221298 /nfs/dbraw/zinc/22/12/98/488221298.db2.gz PARSVPOGHQBLDU-CQSZACIVSA-N 2 0 237.391 1.156 20 0 BDADRP COC[C@@H](C)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319715 490051525 /nfs/dbraw/zinc/05/15/25/490051525.db2.gz KZEQVZQOVVJRPG-OLZOCXBDSA-N 2 0 244.379 1.064 20 0 BDADRP Cn1cncc1CCC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000314623480 490092046 /nfs/dbraw/zinc/09/20/46/490092046.db2.gz BSQSFRLCMBUIHX-CQSZACIVSA-N 2 0 248.374 1.038 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCS[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000307018181 490251804 /nfs/dbraw/zinc/25/18/04/490251804.db2.gz TUILWTYLTGPIMF-UKKRHICBSA-N 2 0 214.378 1.611 20 0 BDADRP CC(C)[NH2+]C1CC[NH+](C[C@@H](C)CO)CC1 ZINC000121377865 490476627 /nfs/dbraw/zinc/47/66/27/490476627.db2.gz PSMCSHWEGDUZGL-LLVKDONJSA-N 2 0 214.353 1.077 20 0 BDADRP CC[C@H]1CCC[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000219320795 490566663 /nfs/dbraw/zinc/56/66/63/490566663.db2.gz MLWVUWFUXFAWJL-STQMWFEESA-N 2 0 228.380 1.733 20 0 BDADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCC[NH+](C)C)C[C@H]2C1 ZINC000424266951 491075524 /nfs/dbraw/zinc/07/55/24/491075524.db2.gz XOAAOJPYQNHLKW-KPWCQOOUSA-N 2 0 240.391 1.731 20 0 BDADRP COCc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000090320296 491124426 /nfs/dbraw/zinc/12/44/26/491124426.db2.gz FIZXIZQFERQNDF-GJZGRUSLSA-N 2 0 246.354 1.484 20 0 BDADRP C[C@@H]([NH2+]Cc1cscn1)C1CC[NH+](C)CC1 ZINC000082626005 491150119 /nfs/dbraw/zinc/15/01/19/491150119.db2.gz DAXZAONNIYFKIL-SNVBAGLBSA-N 2 0 239.388 1.963 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H](C)[C@@H](C)CO)CC1 ZINC000134124180 491162134 /nfs/dbraw/zinc/16/21/34/491162134.db2.gz REPZFRKHRZCECR-NWDGAFQWSA-N 2 0 228.380 1.467 20 0 BDADRP CC(C)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC000145853042 582469255 /nfs/dbraw/zinc/46/92/55/582469255.db2.gz GRHWXEHZURZQAG-UHFFFAOYSA-N 2 0 239.407 1.354 20 0 BDADRP C[C@H](NCCC[NH+]1CCCC1)[C@H]1CCC[NH2+]1 ZINC000400765610 533847231 /nfs/dbraw/zinc/84/72/31/533847231.db2.gz ZEFQJSBWFFPNDG-QWHCGFSZSA-N 2 0 225.380 1.202 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCC[NH2+]1 ZINC000400437125 533882859 /nfs/dbraw/zinc/88/28/59/533882859.db2.gz LOEZCUDIMHPADK-LOWDOPEQSA-N 2 0 226.364 1.268 20 0 BDADRP CCOCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250510404 535550588 /nfs/dbraw/zinc/55/05/88/535550588.db2.gz NOPXQGZKWNOZFH-MGPQQGTHSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H]([NH2+][C@H](CCO)C(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000400393492 533996025 /nfs/dbraw/zinc/99/60/25/533996025.db2.gz JKYRCPSOONRHEX-SDDRHHMPSA-N 2 0 228.380 1.514 20 0 BDADRP CC(C)CC[C@@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000344771868 534913572 /nfs/dbraw/zinc/91/35/72/534913572.db2.gz UXACHXUMBNHJAX-CYBMUJFWSA-N 2 0 242.407 1.857 20 0 BDADRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2CC2CC2)C1 ZINC000335703603 536475688 /nfs/dbraw/zinc/47/56/88/536475688.db2.gz YCRZKPHNBSZFKO-CHWSQXEVSA-N 2 0 208.349 1.813 20 0 BDADRP COC[C@@H](C)C[NH2+]C1CCC([NH3+])CC1 ZINC000086729615 536508129 /nfs/dbraw/zinc/50/81/29/536508129.db2.gz HLPLSKLSUNSNET-WHXUTIOJSA-N 2 0 200.326 1.128 20 0 BDADRP COC[C@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261532736 536525652 /nfs/dbraw/zinc/52/56/52/536525652.db2.gz DJWXGWALWMAJOS-STQMWFEESA-N 2 0 226.364 1.344 20 0 BDADRP CCC[N@H+](CC)CCN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400322315 527979820 /nfs/dbraw/zinc/97/98/20/527979820.db2.gz BKTKHZZLAOWFQZ-QWHCGFSZSA-N 2 0 227.396 1.448 20 0 BDADRP CC(C)[C@@H]([NH3+])C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000489459910 528499118 /nfs/dbraw/zinc/49/91/18/528499118.db2.gz AFMSNLYCFDSYPO-BXKDBHETSA-N 2 0 235.331 1.628 20 0 BDADRP CCOCC(C)(C)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400434903 528568514 /nfs/dbraw/zinc/56/85/14/528568514.db2.gz LAWGBRYDDAWYBF-NEPJUHHUSA-N 2 0 228.380 1.779 20 0 BDADRP CC(C)[N@@H+](C)C[C@@H](C)N[C@H](C)[C@H]1CCC[NH2+]1 ZINC000400337203 528828663 /nfs/dbraw/zinc/82/86/63/528828663.db2.gz GLBKPGAOWRIHRY-JHJVBQTASA-N 2 0 227.396 1.445 20 0 BDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCc1cnn(C)c1 ZINC000226430131 535062589 /nfs/dbraw/zinc/06/25/89/535062589.db2.gz SPJXNKUKVMFTED-CYBMUJFWSA-N 2 0 238.379 1.268 20 0 BDADRP CC(C)[C@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000336158638 535150461 /nfs/dbraw/zinc/15/04/61/535150461.db2.gz IHTCSNPKXRIEML-KGLIPLIRSA-N 2 0 240.391 1.421 20 0 BDADRP CC(C)[NH+]1CCC(N(C)CCC[NH3+])CC1 ZINC000212495627 535152895 /nfs/dbraw/zinc/15/28/95/535152895.db2.gz IUMXUKFIBLXMQS-UHFFFAOYSA-N 2 0 213.369 1.140 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000252715952 535160345 /nfs/dbraw/zinc/16/03/45/535160345.db2.gz XEOFSBYGMBMROK-FDYHWXHSSA-N 2 0 228.380 1.322 20 0 BDADRP CCC[NH2+]CCNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000263070176 535169981 /nfs/dbraw/zinc/16/99/81/535169981.db2.gz WMCAPZJSRIUBSG-AAEUAGOBSA-N 2 0 241.379 1.010 20 0 BDADRP CC(C)COCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261589650 535177513 /nfs/dbraw/zinc/17/75/13/535177513.db2.gz UAFWAMOFMXWPNY-RWMBFGLXSA-N 2 0 226.364 1.328 20 0 BDADRP CC(C)([NH3+])CN1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000336056474 535197152 /nfs/dbraw/zinc/19/71/52/535197152.db2.gz NCEXERUGNMHDCX-ZDUSSCGKSA-N 2 0 239.407 1.674 20 0 BDADRP CC(C)([NH3+])C[NH2+]CCc1ccccc1F ZINC000258891673 535209849 /nfs/dbraw/zinc/20/98/49/535209849.db2.gz RBCIITGEOXWYNI-UHFFFAOYSA-N 2 0 210.296 1.695 20 0 BDADRP CC(C)[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000262014800 535263666 /nfs/dbraw/zinc/26/36/66/535263666.db2.gz VLRDSYGVLDDKLT-ZDUSSCGKSA-N 2 0 226.364 1.343 20 0 BDADRP CC(C)(O)CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000261547609 535293139 /nfs/dbraw/zinc/29/31/39/535293139.db2.gz IGBCSPZRKBMWGM-JHJVBQTASA-N 2 0 240.391 1.658 20 0 BDADRP CC[NH+](CC)CCC[N@H+](C)C1CC(OC)C1 ZINC000352204033 535502485 /nfs/dbraw/zinc/50/24/85/535502485.db2.gz WIWZQAZZTHLDOR-UHFFFAOYSA-N 2 0 228.380 1.828 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C1(C)C ZINC000261540132 535502928 /nfs/dbraw/zinc/50/29/28/535502928.db2.gz DVASKOAQVMRTBF-FRRDWIJNSA-N 2 0 240.391 1.779 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C)C1(C)C ZINC000261553882 535514628 /nfs/dbraw/zinc/51/46/28/535514628.db2.gz OJRYPNHWBUYXBT-FVCCEPFGSA-N 2 0 240.391 1.778 20 0 BDADRP CC[C@@H](C)[N@@H+](CC(=O)OC)CC1CC[NH2+]CC1 ZINC000261935950 535552169 /nfs/dbraw/zinc/55/21/69/535552169.db2.gz MBZPEDNCGVSZDU-LLVKDONJSA-N 2 0 242.363 1.260 20 0 BDADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CCCO ZINC000348325827 535580911 /nfs/dbraw/zinc/58/09/11/535580911.db2.gz WTXFDDNSICRVGI-UONOGXRCSA-N 2 0 242.407 1.859 20 0 BDADRP CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000084385124 535842722 /nfs/dbraw/zinc/84/27/22/535842722.db2.gz LKIVFLXEFCMGGZ-RWMBFGLXSA-N 2 0 226.364 1.485 20 0 BDADRP CC[C@](C)(O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000229387191 535845419 /nfs/dbraw/zinc/84/54/19/535845419.db2.gz GIUMSZVKTZELCN-ZDUSSCGKSA-N 2 0 228.380 1.421 20 0 BDADRP CN1CCC([NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000084215960 536345392 /nfs/dbraw/zinc/34/53/92/536345392.db2.gz IAONFDYUWWRLCP-YPMHNXCESA-N 2 0 225.380 1.188 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](CO)C1 ZINC000217614848 536353594 /nfs/dbraw/zinc/35/35/94/536353594.db2.gz LGHIGZXFUQWJOZ-ZIAGYGMSSA-N 2 0 240.391 1.565 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH2+][C@H](CCO)C(C)(C)C ZINC000183686180 536390580 /nfs/dbraw/zinc/39/05/80/536390580.db2.gz CIBRJPTYKNOBCG-QWHCGFSZSA-N 2 0 242.407 1.857 20 0 BDADRP COC[C@H]1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261535249 536526462 /nfs/dbraw/zinc/52/64/62/536526462.db2.gz XGIVGZHYCHZQTP-QWHCGFSZSA-N 2 0 226.364 1.344 20 0 BDADRP c1c([C@H]2CCCC[NH2+]2)nnn1[C@@H]1CCC[NH2+]C1 ZINC000725263148 538089721 /nfs/dbraw/zinc/08/97/21/538089721.db2.gz RBCCAPUWGXREER-GHMZBOCLSA-N 2 0 235.335 1.017 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH+]2CCC([NH+](C)C)CC2)C1 ZINC001172930520 974983462 /nfs/dbraw/zinc/98/34/62/974983462.db2.gz IZZRXACTKDSLNX-UONOGXRCSA-N 2 0 240.391 1.970 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@@H]1C=CCC1 ZINC000854221733 588780392 /nfs/dbraw/zinc/78/03/92/588780392.db2.gz UBQHAPBOAFURHH-WHOHXGKFSA-N 2 0 210.321 1.047 20 0 BDADRP COC[C@H]([NH2+]CCCCCC[NH3+])C(C)C ZINC000843342166 582488235 /nfs/dbraw/zinc/48/82/35/582488235.db2.gz NUKJXLHOHIFFPR-LBPRGKRZSA-N 2 0 216.369 1.766 20 0 BDADRP CC[N@H+](C[C@H]1CCCO1)CC1CC[NH+](C)CC1 ZINC000891783491 582720618 /nfs/dbraw/zinc/72/06/18/582720618.db2.gz HLLUJARQLMNCFA-CQSZACIVSA-N 2 0 240.391 1.829 20 0 BDADRP CC[N@@H+]1CCN(c2cc[nH+]c(CO)c2)C[C@@H]1C ZINC000110733183 582815128 /nfs/dbraw/zinc/81/51/28/582815128.db2.gz AOEAZMDKEOXWCR-NSHDSACASA-N 2 0 235.331 1.104 20 0 BDADRP C[C@@H](CNC(=[NH2+])N1CCCCC1)C[NH+](C)C ZINC000849030709 582833480 /nfs/dbraw/zinc/83/34/80/582833480.db2.gz SXYDAATZOWRLGB-NSHDSACASA-N 2 0 226.368 1.194 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H]([NH3+])C1CC1 ZINC000560942776 582840882 /nfs/dbraw/zinc/84/08/82/582840882.db2.gz DYKQMBIVPHJQES-KWCYVHTRSA-N 2 0 239.407 1.624 20 0 BDADRP CN1CC[N@H+](CCCCCC[NH3+])C(C)(C)C1 ZINC000857086925 588886765 /nfs/dbraw/zinc/88/67/65/588886765.db2.gz NFWXARAMPPWRRH-UHFFFAOYSA-N 2 0 227.396 1.532 20 0 BDADRP Cc1ncoc1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000894431382 583457343 /nfs/dbraw/zinc/45/73/43/583457343.db2.gz QSZXQVJGJSJUBY-UHFFFAOYSA-N 2 0 237.347 1.805 20 0 BDADRP Cc1ncoc1C[N@H+](C)CCCn1ccnc1 ZINC000894776237 583517108 /nfs/dbraw/zinc/51/71/08/583517108.db2.gz DSTKKONRHONYJJ-UHFFFAOYSA-N 2 0 234.303 1.702 20 0 BDADRP CC(=O)OC[C@H](C)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000894849248 583532081 /nfs/dbraw/zinc/53/20/81/583532081.db2.gz VEOAMZSTCJUUIV-JTQLQIEISA-N 2 0 247.298 1.376 20 0 BDADRP COC1CCC(C[NH2+]CC2(N(C)C)CC2)CC1 ZINC000894953103 583560149 /nfs/dbraw/zinc/56/01/49/583560149.db2.gz FCMBQQCBQGABJJ-UHFFFAOYSA-N 2 0 240.391 1.875 20 0 BDADRP C[N@H+](CCCC[NH2+][C@H]1COCC1(C)C)C1CC1 ZINC000894968667 583560842 /nfs/dbraw/zinc/56/08/42/583560842.db2.gz WYYFUWLSSRFNCG-ZDUSSCGKSA-N 2 0 240.391 1.875 20 0 BDADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cnc[nH]2)C1 ZINC000894986952 583565158 /nfs/dbraw/zinc/56/51/58/583565158.db2.gz WZABZUONDBLMKY-NSHDSACASA-N 2 0 222.336 1.231 20 0 BDADRP CC[C@H](C)[C@H](C[NH2+]CC[C@H](C)[NH+](C)C)OC ZINC000895291669 583637089 /nfs/dbraw/zinc/63/70/89/583637089.db2.gz AHMXWBDAWYOUPD-AVGNSLFASA-N 2 0 230.396 1.977 20 0 BDADRP C[C@H](CC[NH2+]CCC[C@H]1CCO1)[NH+](C)C ZINC000895292652 583639144 /nfs/dbraw/zinc/63/91/44/583639144.db2.gz SYNONSFIIWPKAW-NEPJUHHUSA-N 2 0 214.353 1.485 20 0 BDADRP C[C@@H]1CC[N@H+](CC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000895404579 583666454 /nfs/dbraw/zinc/66/64/54/583666454.db2.gz UDOSHYAHQGDASG-OLZOCXBDSA-N 2 0 240.391 1.828 20 0 BDADRP C[C@H]1[C@H](Nc2cc[nH+]c(CO)c2)CC[N@@H+]1C ZINC000895737704 583718250 /nfs/dbraw/zinc/71/82/50/583718250.db2.gz RVLQNBJLHDNMGV-JOYOIKCWSA-N 2 0 221.304 1.078 20 0 BDADRP C[C@@H]1[C@@H]([NH2+]C[C@H]2CC2(Cl)Cl)CCN1C ZINC000896554953 583812295 /nfs/dbraw/zinc/81/22/95/583812295.db2.gz WCGCLXQBAVSPME-HLTSFMKQSA-N 2 0 237.174 1.862 20 0 BDADRP C[C@H]1CC[C@@H](C[NH2+]CC2CC[NH+](C)CC2)O1 ZINC000148651064 584023780 /nfs/dbraw/zinc/02/37/80/584023780.db2.gz QIPAWVOVBVHOEG-AAEUAGOBSA-N 2 0 226.364 1.485 20 0 BDADRP CC(C)[NH2+]C1CCN(c2cc[nH+]c(CO)c2)CC1 ZINC000858386263 588950267 /nfs/dbraw/zinc/95/02/67/588950267.db2.gz IDEUXSLPHSOYQI-UHFFFAOYSA-N 2 0 249.358 1.541 20 0 BDADRP CC(=O)CC[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000729921105 584029425 /nfs/dbraw/zinc/02/94/25/584029425.db2.gz XHHUWAYTDYQGGR-LBPRGKRZSA-N 2 0 221.304 1.499 20 0 BDADRP C[C@H]1C[C@@H](Nc2cc[nH+]c(CO)c2)CC[N@@H+]1C ZINC000858423316 588953365 /nfs/dbraw/zinc/95/33/65/588953365.db2.gz CRWQHHQKAJDRRW-JQWIXIFHSA-N 2 0 235.331 1.469 20 0 BDADRP C[C@H]1C[C@@H](Nc2cc[nH+]c(CO)c2)C[N@@H+]1C1CC1 ZINC000858441379 588954905 /nfs/dbraw/zinc/95/49/05/588954905.db2.gz PWRQIYLPZMTPQC-CMPLNLGQSA-N 2 0 247.342 1.611 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)CN1c1cc[nH+]c(CO)c1 ZINC000858464596 588957510 /nfs/dbraw/zinc/95/75/10/588957510.db2.gz OYNLJEOSQMQPKE-GHMZBOCLSA-N 2 0 235.331 1.103 20 0 BDADRP C[C@H]1C[N@H+](C)[C@@H](C)CN1c1cc[nH+]c(CO)c1 ZINC000858464598 588957612 /nfs/dbraw/zinc/95/76/12/588957612.db2.gz OYNLJEOSQMQPKE-QWRGUYRKSA-N 2 0 235.331 1.103 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1)C1CC[NH2+]CC1 ZINC000873219889 584127255 /nfs/dbraw/zinc/12/72/55/584127255.db2.gz GWKWTCJMOSUYBN-YNEHKIRRSA-N 3 0 239.407 1.352 20 0 BDADRP C[C@@H](NC[C@H]1CCC(C)(C)C[NH2+]1)[C@H]1CCC[NH2+]1 ZINC000873236890 584127786 /nfs/dbraw/zinc/12/77/86/584127786.db2.gz KFWCFXBSGOJUTG-JHJVBQTASA-N 2 0 239.407 1.495 20 0 BDADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CCCc3occc32)C1 ZINC000873259129 584128024 /nfs/dbraw/zinc/12/80/24/584128024.db2.gz ZTCZKQZLRLMUCC-CKYFFXLPSA-N 2 0 220.316 1.984 20 0 BDADRP C[C@H](CCO)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000858490080 588960039 /nfs/dbraw/zinc/96/00/39/588960039.db2.gz AXOUBGPBPJTZEJ-NEPJUHHUSA-N 2 0 214.353 1.079 20 0 BDADRP C[C@H](NC(=[NH2+])NC[C@@H](C1CC1)[NH+](C)C)C1CC1 ZINC000899264641 584189249 /nfs/dbraw/zinc/18/92/49/584189249.db2.gz IXPGKTVOIRWEQN-CABZTGNLSA-N 2 0 238.379 1.239 20 0 BDADRP C[C@H](NC(=[NH2+])NCCCC[NH+](C)C)C1CC1 ZINC000899266022 584189539 /nfs/dbraw/zinc/18/95/39/584189539.db2.gz NQENWQRYIJALKP-JTQLQIEISA-N 2 0 226.368 1.241 20 0 BDADRP C[C@H](NC(=[NH2+])NCC1([NH+](C)C)CCC1)C1CC1 ZINC000899272095 584192310 /nfs/dbraw/zinc/19/23/10/584192310.db2.gz XRLKDHALDKUEDR-JTQLQIEISA-N 2 0 238.379 1.383 20 0 BDADRP C[C@H](NC(=[NH2+])NCC[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC000899267644 584193014 /nfs/dbraw/zinc/19/30/14/584193014.db2.gz RAKJFNDXXCNUQQ-QWRGUYRKSA-N 2 0 238.379 1.241 20 0 BDADRP [NH3+][C@H](CO)c1ccc(C2=CCC[NH2+]C2)cc1 ZINC000899325339 584197647 /nfs/dbraw/zinc/19/76/47/584197647.db2.gz VAVWFYDTSNYAIE-CYBMUJFWSA-N 2 0 218.300 1.055 20 0 BDADRP [NH3+][C@@H](CO)c1ccc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000899327468 584197812 /nfs/dbraw/zinc/19/78/12/584197812.db2.gz AZPRWFMRIQVYOU-ILXRZTDVSA-N 2 0 244.338 1.586 20 0 BDADRP C[NH2+][C@@H](C)Cc1noc(C[C@H]([NH3+])C(C)(C)C)n1 ZINC000900010552 584265292 /nfs/dbraw/zinc/26/52/92/584265292.db2.gz SXEQZRKNGXDSIA-IUCAKERBSA-N 2 0 240.351 1.136 20 0 BDADRP C1C[NH2+][C@@H](c2noc(C34CCC(CC3)[NH2+]4)n2)C1 ZINC000900010378 584265341 /nfs/dbraw/zinc/26/53/41/584265341.db2.gz QQQZZSZSZDQECN-NBBOBHDQSA-N 2 0 234.303 1.235 20 0 BDADRP C[NH+](C)CCCN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902317422 584556836 /nfs/dbraw/zinc/55/68/36/584556836.db2.gz KBUYTORIAKNWHJ-LBPRGKRZSA-N 3 0 227.396 1.306 20 0 BDADRP CC[C@@H](O)CCC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902347094 584559103 /nfs/dbraw/zinc/55/91/03/584559103.db2.gz KTOKROPDBRWIME-QWHCGFSZSA-N 2 0 242.407 1.905 20 0 BDADRP CC[C@H](O)CC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902348401 584559239 /nfs/dbraw/zinc/55/92/39/584559239.db2.gz LMJSEHJRAKZXNR-NEPJUHHUSA-N 2 0 228.380 1.515 20 0 BDADRP CC(C)C[C@H](O)C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902349536 584559917 /nfs/dbraw/zinc/55/99/17/584559917.db2.gz XKKRDUBCXDSGMN-OLZOCXBDSA-N 2 0 242.407 1.761 20 0 BDADRP CO[C@H](C)CC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902349272 584560053 /nfs/dbraw/zinc/56/00/53/584560053.db2.gz YNLPJJJEKHHCQP-NEPJUHHUSA-N 2 0 228.380 1.779 20 0 BDADRP [NH3+]C1(CN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000902410240 584576103 /nfs/dbraw/zinc/57/61/03/584576103.db2.gz QPCLWVQCDWJUIZ-KGLIPLIRSA-N 2 0 245.370 1.561 20 0 BDADRP CO[C@@H](C)[C@@H](C)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902385728 584578442 /nfs/dbraw/zinc/57/84/42/584578442.db2.gz ABHBAEYTAPHYHD-GRYCIOLGSA-N 2 0 228.380 1.778 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+]CC2([NH3+])CC2)C12CCCC2 ZINC000902412780 584580943 /nfs/dbraw/zinc/58/09/43/584580943.db2.gz DTRSQQRNYOHDNM-NEPJUHHUSA-N 2 0 238.375 1.805 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H](N[C@H](C[NH3+])C2CC2)C1 ZINC000902391811 584582513 /nfs/dbraw/zinc/58/25/13/584582513.db2.gz AULMNVIOXBFNJR-VXGBXAGGSA-N 2 0 225.380 1.092 20 0 BDADRP CC[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902391722 584582548 /nfs/dbraw/zinc/58/25/48/584582548.db2.gz ZJICHMVCAMQYEG-XQQFMLRXSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H]([NH3+])[C@H](C)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902392062 584582728 /nfs/dbraw/zinc/58/27/28/584582728.db2.gz FBNXYCMJCQDGSQ-DCAQKATOSA-N 2 0 213.369 1.090 20 0 BDADRP CC[NH2+][C@H](C)CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902392427 584583085 /nfs/dbraw/zinc/58/30/85/584583085.db2.gz HFNXIFITAPJYSX-NEPJUHHUSA-N 2 0 227.396 1.352 20 0 BDADRP CC(C)[C@@H]([NH3+])CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902392538 584583744 /nfs/dbraw/zinc/58/37/44/584583744.db2.gz JHYYFNHMBHDIEU-NEPJUHHUSA-N 2 0 227.396 1.338 20 0 BDADRP C[C@@H]1COC[C@H]1[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902403497 584588157 /nfs/dbraw/zinc/58/81/57/584588157.db2.gz HKHDQSYFQQJMOA-IJLUTSLNSA-N 2 0 226.364 1.389 20 0 BDADRP [NH3+]C1(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000902404713 584589239 /nfs/dbraw/zinc/58/92/39/584589239.db2.gz BULVDHZLZLYIAM-JHJVBQTASA-N 2 0 237.391 1.378 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCON ZINC000902415782 584589698 /nfs/dbraw/zinc/58/96/98/584589698.db2.gz QZFDDIVQTZPLKH-NEPJUHHUSA-N 2 0 229.368 1.167 20 0 BDADRP NOCCC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000902416630 584590363 /nfs/dbraw/zinc/59/03/63/584590363.db2.gz VFWSCZGOMFVKQI-VXGBXAGGSA-N 2 0 221.304 1.001 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC(C)(C)C1CC1 ZINC000902429782 584594600 /nfs/dbraw/zinc/59/46/00/584594600.db2.gz GYXGQXSRNHWYSU-DRZSPHRISA-N 2 0 240.391 1.765 20 0 BDADRP [NH3+][C@@H]1c2ccccc2C[C@H]1N[C@@H]1CCC[C@@H]1[NH3+] ZINC000902430038 584594748 /nfs/dbraw/zinc/59/47/48/584594748.db2.gz CCSPXOJUUIHTON-REWJHTLYSA-N 2 0 231.343 1.081 20 0 BDADRP C[C@H]([NH2+]CC(C)(C)C1CCOCC1)C1C[NH2+]C1 ZINC000902432864 584596100 /nfs/dbraw/zinc/59/61/00/584596100.db2.gz RJMCWSUJNFYYOI-NSHDSACASA-N 2 0 240.391 1.637 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902436570 584596474 /nfs/dbraw/zinc/59/64/74/584596474.db2.gz ZWDQIYDJYCQVQF-JUDXGUMMSA-N 2 0 245.370 1.199 20 0 BDADRP CC1(C)C[NH2+]C[C@@H]1N[C@H]1CCCCC[C@H]1[NH3+] ZINC000902444793 584598954 /nfs/dbraw/zinc/59/89/54/584598954.db2.gz OTBHRVZPVSFIMR-WOPDTQHZSA-N 2 0 225.380 1.234 20 0 BDADRP C[C@H](NCC1([NH3+])CC1)c1ccc(F)cc1 ZINC000902414898 584600126 /nfs/dbraw/zinc/60/01/26/584600126.db2.gz GAMOUSPKLGOVRK-VIFPVBQESA-N 2 0 208.280 1.968 20 0 BDADRP C(N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1CCCCC[NH2+]1 ZINC000902474853 584602585 /nfs/dbraw/zinc/60/25/85/584602585.db2.gz FZJPHIRRMSOTQI-QWHCGFSZSA-N 2 0 237.391 1.393 20 0 BDADRP CC1(C)C[NH2+]C[C@@H]1N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000902446975 584604206 /nfs/dbraw/zinc/60/42/06/584604206.db2.gz WSPGWWNHOIDGDB-IHRRRGAJSA-N 2 0 245.370 1.719 20 0 BDADRP CC[N@@H+]1CC[C@H](N[C@@H]2C[NH2+]CC2(C)C)[C@@H](C)C1 ZINC000902447808 584604537 /nfs/dbraw/zinc/60/45/37/584604537.db2.gz VVJSTBOJIUJOHJ-RWMBFGLXSA-N 2 0 239.407 1.304 20 0 BDADRP CC[C@@H](N[C@H]1C[NH2+]CC1(C)C)[C@@H]1CCC[NH2+]1 ZINC000902447533 584604635 /nfs/dbraw/zinc/60/46/35/584604635.db2.gz YZSZWVZORUVUIG-WOPDTQHZSA-N 2 0 225.380 1.105 20 0 BDADRP CC1(C)C[NH2+]C[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000902450395 584606192 /nfs/dbraw/zinc/60/61/92/584606192.db2.gz RWTPPJJKMYPJLA-AVGNSLFASA-N 2 0 237.391 1.201 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2C[NH2+]CC2(C)C)CC[N@@H+]1C ZINC000902449778 584606214 /nfs/dbraw/zinc/60/62/14/584606214.db2.gz QDURAGXNBVTIKL-UTUOFQBUSA-N 2 0 225.380 1.057 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000902452532 584607162 /nfs/dbraw/zinc/60/71/62/584607162.db2.gz KSZRYSCQLFHGSX-JIHIYPPSSA-N 2 0 222.332 1.022 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902454788 584609540 /nfs/dbraw/zinc/60/95/40/584609540.db2.gz VQMFLDLOOAPDJK-XNQJJRNTSA-N 2 0 236.359 1.412 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902466176 584614223 /nfs/dbraw/zinc/61/42/23/584614223.db2.gz JPGAQKLEMFVGGZ-NJMOYASZSA-N 2 0 223.364 1.129 20 0 BDADRP CC(C)[C@@H](Cn1cccn1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902468819 584615505 /nfs/dbraw/zinc/61/55/05/584615505.db2.gz WIEBLKPKJPFEFO-XJFOESAGSA-N 2 0 248.374 1.390 20 0 BDADRP OC1CCC([NH2+]C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000902481186 584623263 /nfs/dbraw/zinc/62/32/63/584623263.db2.gz AWCWTOJMFMNUIO-CPCZMJQVSA-N 2 0 226.364 1.412 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCC[NH2+]2)CCO1 ZINC000902481545 584624282 /nfs/dbraw/zinc/62/42/82/584624282.db2.gz DKYJQWQVHZRUEV-AGIUHOORSA-N 2 0 226.364 1.676 20 0 BDADRP CCCC[C@@H](COC)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902486375 584625173 /nfs/dbraw/zinc/62/51/73/584625173.db2.gz GDZHZQYXASCINK-SRVKXCTJSA-N 2 0 214.353 1.519 20 0 BDADRP CCCC[C@H](COC)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902486374 584625466 /nfs/dbraw/zinc/62/54/66/584625466.db2.gz GDZHZQYXASCINK-IJLUTSLNSA-N 2 0 214.353 1.519 20 0 BDADRP COCCC[C@@H](C)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902489397 584627433 /nfs/dbraw/zinc/62/74/33/584627433.db2.gz PTTPKEUDPNGDIX-GMTAPVOTSA-N 2 0 200.326 1.128 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C1 ZINC000902488503 584627629 /nfs/dbraw/zinc/62/76/29/584627629.db2.gz YTEBXGVVSKSJJQ-DDHJBXDOSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C/C=C/Cl ZINC000902516741 584630300 /nfs/dbraw/zinc/63/03/00/584630300.db2.gz FSJSJOLRBCMPGW-GBXVNXHZSA-N 2 0 218.728 1.081 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1COC[C@@H]1C1CC1 ZINC000902522033 584631514 /nfs/dbraw/zinc/63/15/14/584631514.db2.gz VKGYCAZZEVZFJD-GAIPPQHRSA-N 2 0 212.337 1.127 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2COC[C@H]2C2CC2)C1 ZINC000902522018 584631531 /nfs/dbraw/zinc/63/15/31/584631531.db2.gz VEWZLXYNGAESFD-MROQNXINSA-N 2 0 224.348 1.271 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2COC[C@@H]2C2CC2)C12CCC2 ZINC000902521706 584631660 /nfs/dbraw/zinc/63/16/60/584631660.db2.gz STHMBWDUTQXJEC-XQHKEYJVSA-N 2 0 236.359 1.271 20 0 BDADRP C[C@@H]1COC[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000903397327 584757227 /nfs/dbraw/zinc/75/72/27/584757227.db2.gz WSLNGAPZBBCGBH-BXUZGUMPSA-N 2 0 238.375 1.485 20 0 BDADRP C[C@@H]1COC[C@@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000903397329 584757517 /nfs/dbraw/zinc/75/75/17/584757517.db2.gz WSLNGAPZBBCGBH-RISCZKNCSA-N 2 0 238.375 1.485 20 0 BDADRP C[C@@](C[NH3+])([NH2+]CCc1ccns1)C1CC1 ZINC000903426508 584761225 /nfs/dbraw/zinc/76/12/25/584761225.db2.gz NITDQXLWYBJTKE-NSHDSACASA-N 2 0 225.361 1.403 20 0 BDADRP C[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H]1CN ZINC000903424824 584764973 /nfs/dbraw/zinc/76/49/73/584764973.db2.gz HYVDZQLRGNEJAK-NDBYEHHHSA-N 2 0 225.380 1.173 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCCOC1 ZINC000903458688 584765009 /nfs/dbraw/zinc/76/50/09/584765009.db2.gz GZPSWXSJZBELQE-NDBYEHHHSA-N 2 0 226.364 1.519 20 0 BDADRP C([NH2+]C1CCN(C[C@H]2CCC[NH2+]2)CC1)C1CC1 ZINC000903424805 584765095 /nfs/dbraw/zinc/76/50/95/584765095.db2.gz HPFYDAGCGOKXQE-CQSZACIVSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)[C@@H]1CCCOC1 ZINC000903458702 584765137 /nfs/dbraw/zinc/76/51/37/584765137.db2.gz HNGUIRWXIHAZOW-IJLUTSLNSA-N 2 0 212.337 1.143 20 0 BDADRP COC[C@H](C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1)C(C)C ZINC000903459273 584766014 /nfs/dbraw/zinc/76/60/14/584766014.db2.gz FTXNQURCJJPIJF-UONOGXRCSA-N 2 0 240.391 1.733 20 0 BDADRP CC[C@](C)(CC(=O)OC)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903459515 584766139 /nfs/dbraw/zinc/76/61/39/584766139.db2.gz UWSRAEREUJYRLN-NTZNESFSSA-N 2 0 242.363 1.163 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000903464375 584767819 /nfs/dbraw/zinc/76/78/19/584767819.db2.gz LBMVATMMDMXMFV-HZSPNIEDSA-N 2 0 238.375 1.344 20 0 BDADRP [NH3+]CCCN(CC1CCCC1)C[C@H]1CCC[NH2+]1 ZINC000903451540 584771653 /nfs/dbraw/zinc/77/16/53/584771653.db2.gz AZKSHFCURIYHKP-CQSZACIVSA-N 2 0 239.407 1.579 20 0 BDADRP C([C@H]1CCC[NH2+]1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000903452228 584771701 /nfs/dbraw/zinc/77/17/01/584771701.db2.gz JROFNDHZLWMRFW-ZIAGYGMSSA-N 2 0 237.391 1.060 20 0 BDADRP C[C@H](c1ncccn1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000903452442 584772372 /nfs/dbraw/zinc/77/23/72/584772372.db2.gz MHDYSGOMMLJRJQ-GFCCVEGCSA-N 2 0 246.358 1.613 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H](C[NH3+])C1CCCCC1 ZINC000903454880 584773191 /nfs/dbraw/zinc/77/31/91/584773191.db2.gz MGSQNGKZULPCSD-XBFCOCLRSA-N 2 0 239.407 1.339 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H](C)CN1C ZINC000903454417 584773580 /nfs/dbraw/zinc/77/35/80/584773580.db2.gz BOOMMDSWPMSUFG-XQHKEYJVSA-N 2 0 225.380 1.138 20 0 BDADRP COCC1(C)CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903457517 584774699 /nfs/dbraw/zinc/77/46/99/584774699.db2.gz VSKOTMNKFSJZQU-OLZOCXBDSA-N 2 0 240.391 1.590 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000903476310 584777582 /nfs/dbraw/zinc/77/75/82/584777582.db2.gz UGXJDEFBVZWLFG-MROQNXINSA-N 2 0 240.416 1.527 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(C)(F)CC1 ZINC000903476825 584777688 /nfs/dbraw/zinc/77/76/88/584777688.db2.gz LCJOJVYATICXOG-MNOVXSKESA-N 2 0 214.328 1.666 20 0 BDADRP C[C@@H](F)CC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903481827 584778059 /nfs/dbraw/zinc/77/80/59/584778059.db2.gz NWLCDMJDRBXVJS-GHMZBOCLSA-N 2 0 214.328 1.999 20 0 BDADRP C(C[C@@H]1CC[NH2+]C1)[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903483055 584778718 /nfs/dbraw/zinc/77/87/18/584778718.db2.gz BYOVMUOYABBPAL-STQMWFEESA-N 3 0 237.391 1.250 20 0 BDADRP C[C@@H]1CC[C@H](CN)[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H]1C ZINC000903482377 584778759 /nfs/dbraw/zinc/77/87/59/584778759.db2.gz FOWDYOQHBSQKMC-XHJNMGKDSA-N 2 0 239.407 1.562 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903481916 584778839 /nfs/dbraw/zinc/77/88/39/584778839.db2.gz QGDKYZYTYOBIID-XQQFMLRXSA-N 2 0 238.375 1.676 20 0 BDADRP OCCCCCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903484756 584779604 /nfs/dbraw/zinc/77/96/04/584779604.db2.gz DAHPVAXWIXRABT-ZDUSSCGKSA-N 2 0 240.391 1.803 20 0 BDADRP [NH3+]CCOCC[N@@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000903491133 584780957 /nfs/dbraw/zinc/78/09/57/584780957.db2.gz WVNZGRSPHJFHFV-LSDHHAIUSA-N 2 0 246.354 1.235 20 0 BDADRP C[C@@H]1CN(C[C@@H]2CCCC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC000903716403 584791929 /nfs/dbraw/zinc/79/19/29/584791929.db2.gz MFAPBUVZYMANDY-FRRDWIJNSA-N 2 0 225.380 1.058 20 0 BDADRP CCCN(C[C@@H]1CCCC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000903717099 584792043 /nfs/dbraw/zinc/79/20/43/584792043.db2.gz ZQWMENQNNFFMQE-KGLIPLIRSA-N 2 0 239.407 1.450 20 0 BDADRP C([C@@H]1CC2(CO1)CC[NH2+]CC2)[NH+]1CCCC1 ZINC000903717363 584792067 /nfs/dbraw/zinc/79/20/67/584792067.db2.gz OYALEPRUSKPREX-LBPRGKRZSA-N 2 0 224.348 1.241 20 0 BDADRP C[N@H+](CCC[NH3+])Cc1ccccc1CF ZINC000903717206 584792201 /nfs/dbraw/zinc/79/22/01/584792201.db2.gz JVUIXQZTYWZBEF-UHFFFAOYSA-N 2 0 210.296 1.937 20 0 BDADRP CCCC[N@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903718116 584792635 /nfs/dbraw/zinc/79/26/35/584792635.db2.gz ZYISPAVFQAOBOA-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H]1CCC[N@@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903729258 584792880 /nfs/dbraw/zinc/79/28/80/584792880.db2.gz LKKPECOGYCNSCE-UPJWGTAASA-N 2 0 224.348 1.239 20 0 BDADRP C[C@H]1CCC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903730646 584793113 /nfs/dbraw/zinc/79/31/13/584793113.db2.gz YFSJDLDJZAHMKL-QWHCGFSZSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@H]1CCC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903730648 584793219 /nfs/dbraw/zinc/79/32/19/584793219.db2.gz YFSJDLDJZAHMKL-STQMWFEESA-N 2 0 238.375 1.629 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCCCN1C[C@H]1CCCC[NH2+]C1 ZINC000903713320 584793604 /nfs/dbraw/zinc/79/36/04/584793604.db2.gz MRVXLEXWRIBTMM-MELADBBJSA-N 2 0 239.407 1.578 20 0 BDADRP CC(C)[C@H]1CN(C[C@@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC000903745818 584794241 /nfs/dbraw/zinc/79/42/41/584794241.db2.gz RTNNEMFVXSIJPF-ZIAGYGMSSA-N 2 0 239.407 1.306 20 0 BDADRP CC(C)c1ccccc1C[N@H+](C)C[C@H](O)C[NH3+] ZINC000903752052 584795490 /nfs/dbraw/zinc/79/54/90/584795490.db2.gz PWFZDZYFULCMKA-CYBMUJFWSA-N 2 0 236.359 1.561 20 0 BDADRP CC(C)(C)[C@H](C[NH3+])NC[C@@H]1CCCC[NH2+]C1 ZINC000903753738 584796099 /nfs/dbraw/zinc/79/60/99/584796099.db2.gz XUCUFGFYJMOICS-NEPJUHHUSA-N 2 0 227.396 1.339 20 0 BDADRP COC(=O)[C@H](C)C[N@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000903752913 584796107 /nfs/dbraw/zinc/79/61/07/584796107.db2.gz PZVQODPPLDHYHU-VXGBXAGGSA-N 2 0 242.363 1.117 20 0 BDADRP C([C@H]1CCCC[NH2+]C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000903744525 584796750 /nfs/dbraw/zinc/79/67/50/584796750.db2.gz UKNTUVKBKVQYPV-KBPBESRZSA-N 2 0 237.391 1.062 20 0 BDADRP C[N@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)C(C)(C)C ZINC000903764492 584797101 /nfs/dbraw/zinc/79/71/01/584797101.db2.gz SQDUEWUIXQLMCK-GFCCVEGCSA-N 2 0 240.391 1.875 20 0 BDADRP C[N@@H+]1CCN(C[C@H]2CCCC[NH2+]C2)C(C)(C)C1 ZINC000903769598 584798089 /nfs/dbraw/zinc/79/80/89/584798089.db2.gz KAKQZYGHBJPVSE-ZDUSSCGKSA-N 2 0 239.407 1.402 20 0 BDADRP CC1CC(C[NH+]2CCC([NH2+]CCO)CC2)C1 ZINC000903778235 584799461 /nfs/dbraw/zinc/79/94/61/584799461.db2.gz LKHGMWJKYZALCZ-UHFFFAOYSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@H]1CSCCC[N@@H+]1CCC[NH2+]C1CC1 ZINC000903831570 584806091 /nfs/dbraw/zinc/80/60/91/584806091.db2.gz JWSMFYZGKNGGCQ-NSHDSACASA-N 2 0 228.405 1.956 20 0 BDADRP C[C@@H]1CCOCC[N@@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903832993 584806315 /nfs/dbraw/zinc/80/63/15/584806315.db2.gz VAQWXEMMEFFOTO-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H](O)c1ccccc1)C2 ZINC000903838595 584806419 /nfs/dbraw/zinc/80/64/19/584806419.db2.gz DGKJPJQHVPUUET-CYUUQNCZSA-N 2 0 246.354 1.532 20 0 BDADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C/C=C\Cl)C2 ZINC000903842992 584807621 /nfs/dbraw/zinc/80/76/21/584807621.db2.gz ZYYOEZGZXJLTMK-BMBPFWFJSA-N 2 0 200.713 1.551 20 0 BDADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000903843357 584807655 /nfs/dbraw/zinc/80/76/55/584807655.db2.gz JHKZCCAJYBOERI-XUXIUFHCSA-N 3 0 237.391 1.188 20 0 BDADRP NC[C@]12CC[C@H]1CC[N@@H+]2CCCCCCC[NH3+] ZINC000903856641 584809028 /nfs/dbraw/zinc/80/90/28/584809028.db2.gz AWRVPLXTJXSQGR-UONOGXRCSA-N 3 0 239.407 1.709 20 0 BDADRP [NH3+]CCCCCCCN1CCC[C@@]12CC[NH2+]C2 ZINC000903865160 584812797 /nfs/dbraw/zinc/81/27/97/584812797.db2.gz AXJOKZGDKSSEFX-AWEZNQCLSA-N 2 0 239.407 1.724 20 0 BDADRP C([C@@H]1C[C@]12CCOC2)[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869633 584814795 /nfs/dbraw/zinc/81/47/95/584814795.db2.gz JCNCLTASDPIAGA-IHRRRGAJSA-N 2 0 236.359 1.241 20 0 BDADRP C[C@]12CSC[C@H]1C[N@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000903871961 584815268 /nfs/dbraw/zinc/81/52/68/584815268.db2.gz UIPBLFCZWNWINV-XQQFMLRXSA-N 2 0 240.416 1.671 20 0 BDADRP C1=CCC(C[N@@H+]2CCC[C@@]23CC[NH2+]C3)C1 ZINC000903872284 584815598 /nfs/dbraw/zinc/81/55/98/584815598.db2.gz YGVKBXIITRQZCY-ZDUSSCGKSA-N 2 0 206.333 1.781 20 0 BDADRP C[C@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@@H]1[NH3+] ZINC000903873751 584815814 /nfs/dbraw/zinc/81/58/14/584815814.db2.gz MDMGLMMFRIVLEY-WYTNZGFTSA-N 3 0 237.391 1.186 20 0 BDADRP CC[C@@H]1CN(C[C@@H]([NH3+])CC(F)F)CC[C@H]1[NH3+] ZINC000903873711 584815905 /nfs/dbraw/zinc/81/59/05/584815905.db2.gz LFBFBKOUGNVZBC-KXUCPTDWSA-N 2 0 235.322 1.028 20 0 BDADRP CN(C[C@@H]([NH3+])CC(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903874310 584816143 /nfs/dbraw/zinc/81/61/43/584816143.db2.gz XTVSMMOULBWJEA-GKDVJIACSA-N 2 0 247.333 1.184 20 0 BDADRP [NH3+]CCC[N@@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000903875950 584816621 /nfs/dbraw/zinc/81/66/21/584816621.db2.gz UOANOEHQCYLEHK-QWHCGFSZSA-N 2 0 226.364 1.474 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000903874480 584816740 /nfs/dbraw/zinc/81/67/40/584816740.db2.gz BQXLDRJMAQMPEU-UONOGXRCSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903921021 584823156 /nfs/dbraw/zinc/82/31/56/584823156.db2.gz ZWVQSWXURXXACD-WYTNZGFTSA-N 3 0 237.391 1.105 20 0 BDADRP [NH3+][C@@H](CN[C@H]1CC[NH2+]C2(CCC2)C1)CC(F)F ZINC000903918851 584823385 /nfs/dbraw/zinc/82/33/85/584823385.db2.gz JFPAZCHXWZUXDQ-ZJUUUORDSA-N 2 0 247.333 1.233 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]([NH3+])CC(F)F)[C@H]1CCCO1 ZINC000903923363 584823459 /nfs/dbraw/zinc/82/34/59/584823459.db2.gz RRPCCWOLHVBRSI-LPEHRKFASA-N 2 0 236.306 1.516 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903930074 584824075 /nfs/dbraw/zinc/82/40/75/584824075.db2.gz RJCRKKULBYXHBC-GJHMDTBVSA-N 3 0 225.380 1.232 20 0 BDADRP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000903918200 584826908 /nfs/dbraw/zinc/82/69/08/584826908.db2.gz UWKVBMGTUZNBAZ-SCXOTVEISA-N 3 0 249.402 1.201 20 0 BDADRP c1cc(CNC[C@H]2CCC[NH2+]2)c2c(c1)C[NH2+]CC2 ZINC000903918266 584826973 /nfs/dbraw/zinc/82/69/73/584826973.db2.gz VYRKTPVEUHNKIZ-CQSZACIVSA-N 2 0 245.370 1.174 20 0 BDADRP C([NH2+]C[C@H]1CCC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903917960 584827009 /nfs/dbraw/zinc/82/70/09/584827009.db2.gz PGSKKSVSMQCSQX-FUDCBSFHSA-N 3 0 237.391 1.106 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cnc3cnccn23)C1 ZINC000903959453 584827684 /nfs/dbraw/zinc/82/76/84/584827684.db2.gz IGQPOMKXBMWBSN-WDEREUQCSA-N 2 0 245.330 1.089 20 0 BDADRP CC(C)[NH+]1CCC(NCc2cc(N)cc[nH+]2)CC1 ZINC000903949464 584830093 /nfs/dbraw/zinc/83/00/93/584830093.db2.gz BAZCYTIHNMGKCI-UHFFFAOYSA-N 2 0 248.374 1.626 20 0 BDADRP CC(C)[C@H](C[NH3+])C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903978401 584832856 /nfs/dbraw/zinc/83/28/56/584832856.db2.gz OGOBUOOIFPKTRP-JHJVBQTASA-N 3 0 227.396 1.134 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000903978250 584832909 /nfs/dbraw/zinc/83/29/09/584832909.db2.gz BXRYMSSZEPJSLM-ZOBORPQBSA-N 3 0 239.407 1.210 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000903965191 584834560 /nfs/dbraw/zinc/83/45/60/584834560.db2.gz ZPCULRMNURZOKM-YIYPIFLZSA-N 2 0 240.391 1.637 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc(F)c1 ZINC000903964842 584834590 /nfs/dbraw/zinc/83/45/90/584834590.db2.gz SFIIKTHIYOTIFG-PWSUYJOCSA-N 2 0 222.307 1.771 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC000904299367 584860254 /nfs/dbraw/zinc/86/02/54/584860254.db2.gz BZYZQFRLOVLCAY-HNNXBMFYSA-N 3 0 247.386 1.577 20 0 BDADRP C[C@@H]1CN(C[C@H]([NH3+])CCC(C)(C)C)CC[C@@H]1[NH3+] ZINC000904299582 584860690 /nfs/dbraw/zinc/86/06/90/584860690.db2.gz IRHMIBFIUJJWDD-UPJWGTAASA-N 2 0 241.423 1.809 20 0 BDADRP CN(C[C@@]1(C)CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC000904299461 584860858 /nfs/dbraw/zinc/86/08/58/584860858.db2.gz DZAIOOTZMBQHHD-ZDUSSCGKSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@@H]1C[NH2+]CCN1C[C@@H]([NH3+])CCC(C)(C)C ZINC000904299857 584860874 /nfs/dbraw/zinc/86/08/74/584860874.db2.gz PSJBNUQMROVRDJ-NEPJUHHUSA-N 2 0 227.396 1.434 20 0 BDADRP CC(C)[C@@H]([NH3+])CCN(C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904301338 584861062 /nfs/dbraw/zinc/86/10/62/584861062.db2.gz KPDKIGGLMMSDBG-KBPBESRZSA-N 2 0 241.423 1.681 20 0 BDADRP C[NH2+][C@H]1CCCN(C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC000904300217 584861233 /nfs/dbraw/zinc/86/12/33/584861233.db2.gz ZAYIVUCNBVNHQI-OLZOCXBDSA-N 2 0 241.423 1.824 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC000904302069 584861811 /nfs/dbraw/zinc/86/18/11/584861811.db2.gz UTIWNODWIWFPLO-RISCZKNCSA-N 2 0 233.359 1.314 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@H+](C[C@H]2CCOC2)C2CC2)C1 ZINC000904307614 584862966 /nfs/dbraw/zinc/86/29/66/584862966.db2.gz SJMHLLFZJGEZBG-UTUOFQBUSA-N 2 0 224.348 1.225 20 0 BDADRP CC(C)(C)C[N@H+](CCO)C[C@]1(C)CCC[NH2+]C1 ZINC000904317932 584864042 /nfs/dbraw/zinc/86/40/42/584864042.db2.gz KATAKBKWFRZCIS-CQSZACIVSA-N 2 0 242.407 1.717 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000904323738 584864793 /nfs/dbraw/zinc/86/47/93/584864793.db2.gz RPJUPCMVFJHOTN-MELADBBJSA-N 3 0 237.391 1.141 20 0 BDADRP CCO[C@@H]1C[C@H]([N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C1(C)C ZINC000904322627 584864845 /nfs/dbraw/zinc/86/48/45/584864845.db2.gz FVVVYMBZSRIPAB-QNWHQSFQSA-N 2 0 240.391 1.859 20 0 BDADRP C[C@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1n1ccnc1 ZINC000904327956 584865253 /nfs/dbraw/zinc/86/52/53/584865253.db2.gz JZQQUUAIOHJIHO-FQUUOJAGSA-N 2 0 248.374 1.503 20 0 BDADRP CCOC(=O)[C@@H](C)[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000904341009 584867511 /nfs/dbraw/zinc/86/75/11/584867511.db2.gz HMNYSHMVFZCNJM-MXWKQRLJSA-N 2 0 240.347 1.140 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@]2(C)CCC[NH2+]C2)C[C@@H]1O ZINC000904346567 584868317 /nfs/dbraw/zinc/86/83/17/584868317.db2.gz UFGAJKAFTLMTJX-AGIUHOORSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H](C)[C@H](C)O1 ZINC000904345773 584868422 /nfs/dbraw/zinc/86/84/22/584868422.db2.gz IZMPNKNBJDHSEG-ZIQFBCGOSA-N 2 0 212.337 1.221 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)[C@@H](C)O1 ZINC000904345772 584868609 /nfs/dbraw/zinc/86/86/09/584868609.db2.gz IZMPNKNBJDHSEG-ROHXPCBUSA-N 2 0 212.337 1.221 20 0 BDADRP CC(C)[C@@H]([NH3+])CNCc1ccc(C[NH3+])cc1 ZINC000904350051 584868788 /nfs/dbraw/zinc/86/87/88/584868788.db2.gz GKUHKGWMPAHHPN-ZDUSSCGKSA-N 2 0 221.348 1.218 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000904350639 584868917 /nfs/dbraw/zinc/86/89/17/584868917.db2.gz NYTCDSIXRPVDIV-QKCSRTOESA-N 3 0 233.359 1.533 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CNC[C@H]1CCC[NH2+]C1 ZINC000904353443 584869872 /nfs/dbraw/zinc/86/98/72/584869872.db2.gz MUQVJDWINHSPSG-QWHCGFSZSA-N 3 0 241.423 1.729 20 0 BDADRP C[NH2+]Cc1cccc(NC[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000904352829 584869991 /nfs/dbraw/zinc/86/99/91/584869991.db2.gz CNTVOYWFYOBKGY-TXEJJXNPSA-N 2 0 219.332 1.555 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CNC[C@H]1CCC[NH2+]1 ZINC000904353776 584870155 /nfs/dbraw/zinc/87/01/55/584870155.db2.gz QXNWDOGTOGZAER-VXGBXAGGSA-N 2 0 227.396 1.482 20 0 BDADRP C[C@H]([NH3+])[C@H](C)NC[C@H]([NH3+])CCC(C)(C)C ZINC000904354144 584870368 /nfs/dbraw/zinc/87/03/68/584870368.db2.gz BEBPCMMCJQNEBC-GARJFASQSA-N 2 0 215.385 1.465 20 0 BDADRP c1cn(C2CC2)c(C[NH2+][C@H]2CC23CC[NH2+]CC3)n1 ZINC000904354922 584870657 /nfs/dbraw/zinc/87/06/57/584870657.db2.gz LPDPUKPORLHKIL-LBPRGKRZSA-N 2 0 246.358 1.450 20 0 BDADRP c1cn(C2CC2)c(C[NH2+]CCC[C@H]2CCC[NH2+]2)n1 ZINC000904355040 584870869 /nfs/dbraw/zinc/87/08/69/584870869.db2.gz MAWUCMGMYHOACS-LBPRGKRZSA-N 2 0 248.374 1.840 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904354782 584871014 /nfs/dbraw/zinc/87/10/14/584871014.db2.gz GBUPOCJZDQZWKX-CQSZACIVSA-N 3 0 247.386 1.623 20 0 BDADRP [NH3+]CCOc1ccc(NC[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000904356074 584871292 /nfs/dbraw/zinc/87/12/92/584871292.db2.gz SPGMCQUIJQZWIZ-PHIMTYICSA-N 2 0 235.331 1.173 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CN[C@@H]1CCC[NH2+]CC1 ZINC000904356325 584871321 /nfs/dbraw/zinc/87/13/21/584871321.db2.gz VUGTWRJAQZOOPC-QWHCGFSZSA-N 2 0 241.423 1.872 20 0 BDADRP [NH3+]CC1CC([NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)C1 ZINC000904360828 584871973 /nfs/dbraw/zinc/87/19/73/584871973.db2.gz PGEKFMMURBNBLM-ABLIHOLZSA-N 2 0 224.348 1.271 20 0 BDADRP [NH3+]CC1CC([NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)C1 ZINC000904360830 584872000 /nfs/dbraw/zinc/87/20/00/584872000.db2.gz PGEKFMMURBNBLM-RKJHCZSYSA-N 2 0 224.348 1.271 20 0 BDADRP Cc1noc(C)c1CC[NH2+]C1CC(C[NH3+])C1 ZINC000904361971 584872205 /nfs/dbraw/zinc/87/22/05/584872205.db2.gz DOVNWHQPEYLFNS-UHFFFAOYSA-N 2 0 223.320 1.161 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)C1 ZINC000904358711 584872415 /nfs/dbraw/zinc/87/24/15/584872415.db2.gz ROBZAOMWFHWDME-FQUUOJAGSA-N 3 0 237.391 1.188 20 0 BDADRP COCCC[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000904367982 584872511 /nfs/dbraw/zinc/87/25/11/584872511.db2.gz LVVMDAZBVMVDSV-NSHDSACASA-N 2 0 200.326 1.002 20 0 BDADRP C[C@H]([NH2+]C1CCN(CC[NH3+])CC1)c1ccccn1 ZINC000904367498 584872596 /nfs/dbraw/zinc/87/25/96/584872596.db2.gz CYCQIXUINQZWMI-LBPRGKRZSA-N 2 0 248.374 1.155 20 0 BDADRP C[C@]1(C[NH2+]CCCn2ccnc2)CCC[NH2+]C1 ZINC000904367505 584872855 /nfs/dbraw/zinc/87/28/55/584872855.db2.gz DAOYNLLTTPCRGZ-ZDUSSCGKSA-N 2 0 236.363 1.253 20 0 BDADRP [NH3+]Cc1ccc(CN2CCC3(CC[NH2+]3)CC2)cc1 ZINC000904373799 584874120 /nfs/dbraw/zinc/87/41/20/584874120.db2.gz WODMJDOSDZFJIA-UHFFFAOYSA-N 2 0 245.370 1.473 20 0 BDADRP CCC(CC)(CCO)C[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904365112 584874902 /nfs/dbraw/zinc/87/49/02/584874902.db2.gz WIFIUDYJFDWDOJ-TXEJJXNPSA-N 2 0 228.380 1.502 20 0 BDADRP C[C@@H](C[NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccccn1 ZINC000904377359 584876077 /nfs/dbraw/zinc/87/60/77/584876077.db2.gz OUIJWRHDLRSKEL-SDDRHHMPSA-N 2 0 219.332 1.512 20 0 BDADRP C[C@@]1(CN2CCCCC[C@@H]([NH3+])C2)CCC[NH2+]C1 ZINC000904381223 584876732 /nfs/dbraw/zinc/87/67/32/584876732.db2.gz LSNBHAFAVCNWCU-ZIAGYGMSSA-N 2 0 239.407 1.579 20 0 BDADRP [NH3+]CC1CC([NH2+][C@@H]2CCCC[C@@H]2F)C1 ZINC000904384806 584877299 /nfs/dbraw/zinc/87/72/99/584877299.db2.gz OHGLACJSVOEYPT-WFBLGPOFSA-N 2 0 200.301 1.594 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+]C2(c3ncccn3)CCC2)C1 ZINC000904385781 584878151 /nfs/dbraw/zinc/87/81/51/584878151.db2.gz FIGBZLVZANYSCJ-PHIMTYICSA-N 2 0 232.331 1.183 20 0 BDADRP CCc1ncc(C[N@@H+]2CC[C@H](CC[NH3+])C2)s1 ZINC000904405678 584878726 /nfs/dbraw/zinc/87/87/26/584878726.db2.gz MJQOHSIZRNQYKN-JTQLQIEISA-N 2 0 239.388 1.876 20 0 BDADRP C[C@H]1C[N@H+](Cc2nccn2C2CC2)CC[C@@H]1C[NH3+] ZINC000904409604 584878949 /nfs/dbraw/zinc/87/89/49/584878949.db2.gz DJDKOGFURVXXJU-NWDGAFQWSA-N 2 0 248.374 1.635 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccn(C)c2)CC[C@@H]1C[NH3+] ZINC000904409369 584879305 /nfs/dbraw/zinc/87/93/05/584879305.db2.gz AIDYLWFCBLKEBY-WCQYABFASA-N 2 0 221.348 1.442 20 0 BDADRP CCn1nccc1C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000904412340 584879705 /nfs/dbraw/zinc/87/97/05/584879705.db2.gz SXMCVYKXBHSPFP-NWDGAFQWSA-N 2 0 236.363 1.320 20 0 BDADRP C[C@@H]1CCC[N@@H+]1CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000817912534 584991110 /nfs/dbraw/zinc/99/11/10/584991110.db2.gz HHDCEKZWNYNGNX-HABKJSAYSA-N 2 0 237.391 1.343 20 0 BDADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](O)C2CC2)C1 ZINC000838859180 585075720 /nfs/dbraw/zinc/07/57/20/585075720.db2.gz DGCOSJJRXHWWJZ-GXTWGEPZSA-N 2 0 240.391 1.421 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@H]2C[C@]23CCOC3)C1 ZINC000886830619 585180850 /nfs/dbraw/zinc/18/08/50/585180850.db2.gz VEBGOQKZNVYOEL-DGAVXFQQSA-N 2 0 238.375 1.472 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@H]2C[C@@]23CCOC3)C1 ZINC000886830620 585180999 /nfs/dbraw/zinc/18/09/99/585180999.db2.gz VEBGOQKZNVYOEL-REWJHTLYSA-N 2 0 238.375 1.472 20 0 BDADRP CC[NH+](CC)CCCN1CC[N@H+](C)[C@@H](C)C1 ZINC000755068647 585294117 /nfs/dbraw/zinc/29/41/17/585294117.db2.gz XRUYMPRZWWPKCQ-ZDUSSCGKSA-N 2 0 227.396 1.354 20 0 BDADRP C[C@@H]1CN(CC[NH+]2CCCCC2)CC[N@@H+]1C ZINC000761080488 585406513 /nfs/dbraw/zinc/40/65/13/585406513.db2.gz UEPQKPUHMJYGHJ-CYBMUJFWSA-N 2 0 225.380 1.108 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)CCO)C[NH+]1CCCCC1 ZINC000779393286 585753164 /nfs/dbraw/zinc/75/31/64/585753164.db2.gz RDPZRCHTMZVALF-OLZOCXBDSA-N 2 0 228.380 1.469 20 0 BDADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)CCO)C1 ZINC000779411703 585754021 /nfs/dbraw/zinc/75/40/21/585754021.db2.gz GPKLMHJNPRJDIE-ZIAGYGMSSA-N 2 0 242.407 1.715 20 0 BDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CC[C@H]1C ZINC000783295410 585833367 /nfs/dbraw/zinc/83/33/67/585833367.db2.gz VAXIMHHWCLHVMM-MCIONIFRSA-N 2 0 239.407 1.401 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC=CO2)[C@@H](C)C1 ZINC000783308798 585833414 /nfs/dbraw/zinc/83/34/14/585833414.db2.gz FTMBDHXIHBTXIO-IHRRRGAJSA-N 2 0 238.375 1.999 20 0 BDADRP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000794605231 586045496 /nfs/dbraw/zinc/04/54/96/586045496.db2.gz RPWQJCXWGYPYDI-RQJABVFESA-N 2 0 240.391 1.467 20 0 BDADRP CN(CCC[N@H+](C)C/C=C/Cl)CC[NH+](C)C ZINC000808781273 586489610 /nfs/dbraw/zinc/48/96/10/586489610.db2.gz CYBHBIUNWLOOFB-FNORWQNLSA-N 2 0 247.814 1.554 20 0 BDADRP C[NH2+][C@H](C)Cc1noc(-c2cccc(C[NH3+])c2)n1 ZINC000842622008 586569647 /nfs/dbraw/zinc/56/96/47/586569647.db2.gz GTDWFUPCGGOCAO-SECBINFHSA-N 2 0 246.314 1.346 20 0 BDADRP Cc1ccccc1[C@H](O)C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000817889106 586832234 /nfs/dbraw/zinc/83/22/34/586832234.db2.gz MLXHMKARKHYKMS-OUCADQQQSA-N 2 0 236.359 1.744 20 0 BDADRP C[C@@H](O)c1ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cc1 ZINC000817893550 586832424 /nfs/dbraw/zinc/83/24/24/586832424.db2.gz GWKQEXWRTKFTCK-QJPTWQEYSA-N 2 0 236.359 1.955 20 0 BDADRP CCCCCC[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000817893222 586834200 /nfs/dbraw/zinc/83/42/00/586834200.db2.gz CZJQTYLBJVVSLX-FRRDWIJNSA-N 2 0 228.380 1.909 20 0 BDADRP CS[C@@H]1CC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])C1 ZINC000817898064 586834984 /nfs/dbraw/zinc/83/49/84/586834984.db2.gz ZFGCFWMVZBDKMA-CHWFTXMASA-N 2 0 216.394 1.986 20 0 BDADRP Cc1cccc(OCCC[NH2+][C@@H](C)C2C[NH2+]C2)c1 ZINC000817907806 586837005 /nfs/dbraw/zinc/83/70/05/586837005.db2.gz WRWQSICAWISNEF-ZDUSSCGKSA-N 2 0 248.370 1.961 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@](C)(O)c1cccs1 ZINC000817911454 586837929 /nfs/dbraw/zinc/83/79/29/586837929.db2.gz AQSAXXHTWJWXEY-NHCYSSNCSA-N 2 0 242.388 1.671 20 0 BDADRP C[C@H]([NH2+]CC[C@](C)(O)c1ccccc1)C1C[NH2+]C1 ZINC000817923946 586841023 /nfs/dbraw/zinc/84/10/23/586841023.db2.gz ITLMSBPKNRVUKD-WFASDCNBSA-N 2 0 248.370 1.482 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])[C@H](O)c1ccccc1 ZINC000817930566 586842103 /nfs/dbraw/zinc/84/21/03/586842103.db2.gz DBUCYVSLWLYWLY-FMSGJZPZSA-N 2 0 236.359 1.824 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(CC[NH3+])cc2)[C@H](C)O1 ZINC000817950774 586848115 /nfs/dbraw/zinc/84/81/15/586848115.db2.gz ZVWDFAGYNHVPEZ-XUJVJEKNSA-N 2 0 248.370 1.843 20 0 BDADRP Cc1ccc2c(c1)CC[C@H]2[NH2+]CC1C[NH2+]C1 ZINC000817965387 586854253 /nfs/dbraw/zinc/85/42/53/586854253.db2.gz PVLPDMPCMORBCB-CQSZACIVSA-N 2 0 216.328 1.791 20 0 BDADRP C[C@H](CSC(C)(C)C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000817976088 586860387 /nfs/dbraw/zinc/86/03/87/586860387.db2.gz FOVOIEBJLBSCHO-ZNSHCXBVSA-N 2 0 228.405 1.714 20 0 BDADRP CN(C)c1cc(NC(=O)CN2CCCC2)ccn1 ZINC000820588983 587056783 /nfs/dbraw/zinc/05/67/83/587056783.db2.gz NLHRBLIQEICMEM-UHFFFAOYSA-N 2 0 248.330 1.182 20 0 BDADRP [NH3+][C@@H]1C[C@@H]1c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000823162852 587206297 /nfs/dbraw/zinc/20/62/97/587206297.db2.gz BUEOGUQMTNIFLW-VHSXEESVSA-N 2 0 241.254 1.199 20 0 BDADRP c1cc(CN2CC3(CC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000826029681 587348901 /nfs/dbraw/zinc/34/89/01/587348901.db2.gz IWCSIWCHOKUTHF-UHFFFAOYSA-N 2 0 240.310 1.863 20 0 BDADRP CC(C)[NH+]1CCC(N(C)CC[S@@](C)=O)CC1 ZINC000827850528 587405766 /nfs/dbraw/zinc/40/57/66/587405766.db2.gz OBTYOJQVFRCAHY-MRXNPFEDSA-N 2 0 246.420 1.170 20 0 BDADRP CCC[C@H](O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000830028104 587532426 /nfs/dbraw/zinc/53/24/26/587532426.db2.gz DZMQGRGYRWLYAV-UONOGXRCSA-N 2 0 240.391 1.565 20 0 BDADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)CCCCC[NH3+] ZINC000831970492 587639853 /nfs/dbraw/zinc/63/98/53/587639853.db2.gz HHMFHTHPPMRAFA-GFCCVEGCSA-N 2 0 241.379 1.106 20 0 BDADRP C[C@H]1CN(C(=O)CCCCCC[NH3+])CC[C@@H]1[NH3+] ZINC000832737422 587681556 /nfs/dbraw/zinc/68/15/56/587681556.db2.gz UXBJNLLUOOIGCD-RYUDHWBXSA-N 2 0 241.379 1.091 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)CCCCCC[NH3+])C1 ZINC000834460364 587755605 /nfs/dbraw/zinc/75/56/05/587755605.db2.gz JCFIHBBSOMYRKI-VXGBXAGGSA-N 2 0 241.379 1.091 20 0 BDADRP CC(C)([NH2+]CCC[NH3+])c1ccc(F)cc1 ZINC000841009654 587935028 /nfs/dbraw/zinc/93/50/28/587935028.db2.gz GAWAPTKVFAHOOT-UHFFFAOYSA-N 2 0 210.296 1.999 20 0 BDADRP Clc1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cn1 ZINC000841037008 587937710 /nfs/dbraw/zinc/93/77/10/587937710.db2.gz RKZYNZQJPADUJX-JTQLQIEISA-N 2 0 239.750 1.824 20 0 BDADRP CC[NH2+]CCN[C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000841036701 587938049 /nfs/dbraw/zinc/93/80/49/587938049.db2.gz VWKARXOROYXHMG-MXWKQRLJSA-N 2 0 246.445 1.565 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000841042647 587938462 /nfs/dbraw/zinc/93/84/62/587938462.db2.gz OMNAUTFPNWHXCB-GMTAPVOTSA-N 2 0 246.445 1.565 20 0 BDADRP [NH3+]CCC[C@H]([NH2+][C@@H]1CCOC1)c1ccccc1 ZINC000841087194 587945570 /nfs/dbraw/zinc/94/55/70/587945570.db2.gz PNFPDQMRTHLFHC-KGLIPLIRSA-N 2 0 234.343 1.845 20 0 BDADRP [NH3+]CCC[C@H]([NH2+][C@H]1CCOC1)c1ccccc1 ZINC000841087193 587945865 /nfs/dbraw/zinc/94/58/65/587945865.db2.gz PNFPDQMRTHLFHC-KBPBESRZSA-N 2 0 234.343 1.845 20 0 BDADRP [NH3+]CCCCCCC(=O)Nc1cccc(C[NH3+])c1 ZINC000841845315 587977284 /nfs/dbraw/zinc/97/72/84/587977284.db2.gz RPPJUYHFQFCALC-UHFFFAOYSA-N 2 0 249.358 1.993 20 0 BDADRP [NH3+]Cc1cccc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000841850724 587978381 /nfs/dbraw/zinc/97/83/81/587978381.db2.gz FGXXEJAGQPCJHL-OLZOCXBDSA-N 2 0 247.342 1.145 20 0 BDADRP CC1(C)C(=O)NCC[N@H+]1CCCCCCC[NH3+] ZINC000842472115 588028762 /nfs/dbraw/zinc/02/87/62/588028762.db2.gz RILXVMVDRASJJV-UHFFFAOYSA-N 2 0 241.379 1.106 20 0 BDADRP C[C@@H]1CN(CCCCCCC[NH3+])CC[NH2+]1 ZINC000842473659 588028833 /nfs/dbraw/zinc/02/88/33/588028833.db2.gz UDCWCZVWRIRNFH-GFCCVEGCSA-N 2 0 213.369 1.189 20 0 BDADRP c1ccc([C@@H]2CC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)nc1 ZINC000842476116 588029713 /nfs/dbraw/zinc/02/97/13/588029713.db2.gz HCLJUPBDGYIJEF-UONOGXRCSA-N 2 0 245.370 1.871 20 0 BDADRP CC[C@@](C)(CC(=O)OC)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000842478923 588029839 /nfs/dbraw/zinc/02/98/39/588029839.db2.gz RFYMOZBDFOCAON-AAEUAGOBSA-N 2 0 242.363 1.307 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCCCCCC[NH3+] ZINC000842475938 588029944 /nfs/dbraw/zinc/02/99/44/588029944.db2.gz YFKFKKYXZVJOAL-CYBMUJFWSA-N 3 0 241.423 1.873 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)C[C@@H]([NH3+])C2CC2)c1 ZINC000842515232 588032154 /nfs/dbraw/zinc/03/21/54/588032154.db2.gz NFURWBQQKDRVIW-CYBMUJFWSA-N 2 0 247.342 1.520 20 0 BDADRP C[C@@H](NC1CC1)c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000842644112 588048157 /nfs/dbraw/zinc/04/81/57/588048157.db2.gz QNSOLYMHRKGEOU-APPZFPTMSA-N 2 0 222.292 1.307 20 0 BDADRP [NH3+]CCc1ccc(C[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000843125494 588083727 /nfs/dbraw/zinc/08/37/27/588083727.db2.gz ANYZGNRCXPZSNL-UHFFFAOYSA-N 3 0 247.386 1.277 20 0 BDADRP C([NH2+][C@@H]1CC[NH2+]C12CCCC2)[C@@H]1CCCOC1 ZINC000843128356 588084935 /nfs/dbraw/zinc/08/49/35/588084935.db2.gz KHNQHIIWBXQQQS-QWHCGFSZSA-N 2 0 238.375 1.677 20 0 BDADRP CC[C@H]([NH2+]CCCCCC[NH3+])c1cnn(C)c1 ZINC000843340286 588100883 /nfs/dbraw/zinc/10/08/83/588100883.db2.gz AAYJPLVLTZQBCS-ZDUSSCGKSA-N 2 0 238.379 1.980 20 0 BDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCCCCC[NH3+] ZINC000843342126 588101011 /nfs/dbraw/zinc/10/10/11/588101011.db2.gz NKOXSOZHHXQBJX-NEPJUHHUSA-N 2 0 213.369 1.045 20 0 BDADRP [NH3+]CCCCCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000843344111 588101399 /nfs/dbraw/zinc/10/13/99/588101399.db2.gz QWQXCOGEAMGTGG-OLZOCXBDSA-N 3 0 227.396 1.613 20 0 BDADRP Cc1nn(C)cc1[C@H](C)[NH2+]CCCCCC[NH3+] ZINC000843343767 588101567 /nfs/dbraw/zinc/10/15/67/588101567.db2.gz XTMDUESQWLCRPF-NSHDSACASA-N 2 0 238.379 1.898 20 0 BDADRP C[C@@H]1C[NH+](CCCCCCC[NH3+])C[C@@H](C)N1 ZINC000843352154 588102339 /nfs/dbraw/zinc/10/23/39/588102339.db2.gz RFSFDPBESNEKPD-CHWSQXEVSA-N 2 0 227.396 1.578 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCCCCCC[NH3+])C1 ZINC000843364530 588104215 /nfs/dbraw/zinc/10/42/15/588104215.db2.gz LMYAGVVSKFQNJB-STQMWFEESA-N 3 0 227.396 1.565 20 0 BDADRP CCCOC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000843378373 588105253 /nfs/dbraw/zinc/10/52/53/588105253.db2.gz SGMHQGCQOXWDDT-RYUDHWBXSA-N 2 0 242.363 1.389 20 0 BDADRP CCCOC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000843378374 588105770 /nfs/dbraw/zinc/10/57/70/588105770.db2.gz SGMHQGCQOXWDDT-VXGBXAGGSA-N 2 0 242.363 1.389 20 0 BDADRP OCCCCCC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000843385666 588105928 /nfs/dbraw/zinc/10/59/28/588105928.db2.gz BRIVBBAAQDFXNE-UHFFFAOYSA-N 2 0 240.391 1.615 20 0 BDADRP Cn1nccc1[C@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000844222120 588174273 /nfs/dbraw/zinc/17/42/73/588174273.db2.gz VNDGFKVDMQAZJS-OLZOCXBDSA-N 2 0 248.374 1.209 20 0 BDADRP CC[N@@H+](CCc1ccccn1)CC[C@H]1CC[NH2+]C1 ZINC000844221750 588174356 /nfs/dbraw/zinc/17/43/56/588174356.db2.gz JVPOXVJEFLLKCK-CQSZACIVSA-N 2 0 247.386 1.946 20 0 BDADRP CN1CCC[C@@H]1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000844297962 588181686 /nfs/dbraw/zinc/18/16/86/588181686.db2.gz VSXOCBDCQOMUDO-CQSZACIVSA-N 2 0 239.407 1.354 20 0 BDADRP CC(C)[C@](C)(CN)[NH2+]CCCCCC[NH3+] ZINC000846217424 588260370 /nfs/dbraw/zinc/26/03/70/588260370.db2.gz HINBVBVTEICYFR-LBPRGKRZSA-N 2 0 215.385 1.469 20 0 BDADRP C[C@@H]1C[N@@H+](CCCCCC[NH3+])C[C@H](C)N1 ZINC000846217361 588260460 /nfs/dbraw/zinc/26/04/60/588260460.db2.gz FMDKIQIFCNRABE-TXEJJXNPSA-N 2 0 213.369 1.188 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000846219535 588260864 /nfs/dbraw/zinc/26/08/64/588260864.db2.gz CELJMYPMAWNBSH-CYBMUJFWSA-N 3 0 227.396 1.566 20 0 BDADRP C[C@@H]1C[N@H+](CCCCCC[NH3+])[C@@H](C)CN1C ZINC000846220324 588261033 /nfs/dbraw/zinc/26/10/33/588261033.db2.gz FZDTWGMQXHDYHB-OLZOCXBDSA-N 2 0 227.396 1.530 20 0 BDADRP [NH3+]C[C@H]1C[N@H+](C/C=C/Cl)CC12CCOCC2 ZINC000846220380 588261138 /nfs/dbraw/zinc/26/11/38/588261138.db2.gz HUYARHJZOYJBBJ-BQTOJVEASA-N 2 0 244.766 1.426 20 0 BDADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCCCCC[NH3+] ZINC000846220603 588261154 /nfs/dbraw/zinc/26/11/54/588261154.db2.gz RLARHIFASYOUIX-RYUDHWBXSA-N 2 0 213.369 1.175 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CCOC[C@H]1C1CC1 ZINC000846221120 588261380 /nfs/dbraw/zinc/26/13/80/588261380.db2.gz SSWZLBRSVXZLIO-ZDUSSCGKSA-N 2 0 226.364 1.616 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000846220391 588261383 /nfs/dbraw/zinc/26/13/83/588261383.db2.gz IDMWCCSDAVKJHN-QWHCGFSZSA-N 3 0 225.380 1.189 20 0 BDADRP C[N@H+](CCCCCC[NH3+])C1(CN)CCC1 ZINC000846221403 588261396 /nfs/dbraw/zinc/26/13/96/588261396.db2.gz YXQOEVXBICFBJS-UHFFFAOYSA-N 2 0 213.369 1.319 20 0 BDADRP C[C@@H]1CN[C@@H](C)C[N@@H+]1CCCCCC[NH3+] ZINC000846220143 588261442 /nfs/dbraw/zinc/26/14/42/588261442.db2.gz DGIBGZPJQNSXFM-NWDGAFQWSA-N 2 0 213.369 1.188 20 0 BDADRP C[C@@H]1CC[N@H+](CCCCCC[NH3+])C[C@@H]1C[NH3+] ZINC000846223056 588261767 /nfs/dbraw/zinc/26/17/67/588261767.db2.gz GMGQTPGXVTVPIE-OLZOCXBDSA-N 3 0 227.396 1.422 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CCCCCC[NH3+] ZINC000846744151 588284263 /nfs/dbraw/zinc/28/42/63/588284263.db2.gz XIOGEOKFFMXRNY-NEPJUHHUSA-N 2 0 241.379 1.234 20 0 BDADRP C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1cccc(C[NH3+])c1 ZINC000846744353 588284307 /nfs/dbraw/zinc/28/43/07/588284307.db2.gz YXTYAPAIKVECBS-GXFFZTMASA-N 2 0 247.342 1.097 20 0 BDADRP C[C@H](C[C@@H]1CCOC1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848558178 588397225 /nfs/dbraw/zinc/39/72/25/588397225.db2.gz NRQBEKIBVIRBQC-RQJABVFESA-N 2 0 240.391 1.731 20 0 BDADRP Cc1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)n(C)n1 ZINC000848561654 588397414 /nfs/dbraw/zinc/39/74/14/588397414.db2.gz ATGVMPSAOVPPPF-TXEJJXNPSA-N 2 0 236.363 1.158 20 0 BDADRP CC(C)(O)C[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000848668755 588404466 /nfs/dbraw/zinc/40/44/66/588404466.db2.gz SMDAEOIKNCSUEG-RYUDHWBXSA-N 2 0 226.364 1.364 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]CC2(O)CCCCC2)C1 ZINC000848665669 588404565 /nfs/dbraw/zinc/40/45/65/588404565.db2.gz IVKNOLQZVCUWBO-BETUJISGSA-N 2 0 240.391 1.611 20 0 BDADRP [NH3+]CCc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000848714671 588407995 /nfs/dbraw/zinc/40/79/95/588407995.db2.gz GBLMFIXLKAYQEG-LSDHHAIUSA-N 3 0 247.386 1.547 20 0 BDADRP CC[C@H](C)NC(=[NH2+])NCC(C)(C)[NH+](C)C ZINC000848981636 588423573 /nfs/dbraw/zinc/42/35/73/588423573.db2.gz HOBIWSJBMHGMSP-VIFPVBQESA-N 2 0 214.357 1.239 20 0 BDADRP CN(C)C(=[NH2+])NCC1([NH+](C)C)CCCCCC1 ZINC000848982266 588424119 /nfs/dbraw/zinc/42/41/19/588424119.db2.gz XGQLTHWZWCQNCU-UHFFFAOYSA-N 2 0 240.395 1.727 20 0 BDADRP CC(C)C[C@@H](CNC(=[NH2+])NC1CCC1)[NH+](C)C ZINC000848983952 588424737 /nfs/dbraw/zinc/42/47/37/588424737.db2.gz YMGZRGOVSSHRRP-LBPRGKRZSA-N 2 0 240.395 1.629 20 0 BDADRP C[C@@H](CNC(=[NH2+])NC1CCC1)[NH+]1CCCC1 ZINC000848986683 588425906 /nfs/dbraw/zinc/42/59/06/588425906.db2.gz UJLQBDIRLPPHPP-JTQLQIEISA-N 2 0 224.352 1.137 20 0 BDADRP C[C@H]1CCCC[N@@H+]1CCNC1=[NH+]CCCN1C ZINC000848987479 588426320 /nfs/dbraw/zinc/42/63/20/588426320.db2.gz AFNCGZBYPPCTSC-LBPRGKRZSA-N 2 0 238.379 1.142 20 0 BDADRP CCNC(=[NH2+])NCC[N@H+](C)C1CCCCC1 ZINC000848987932 588426472 /nfs/dbraw/zinc/42/64/72/588426472.db2.gz QIUJZSIFCFMJIO-UHFFFAOYSA-N 2 0 226.368 1.385 20 0 BDADRP CC[C@H](C)NC(=[NH2+])NCC[N@@H+]1CC[C@H](C)C1 ZINC000849004259 588431614 /nfs/dbraw/zinc/43/16/14/588431614.db2.gz JQXRNHFKZYNXCJ-QWRGUYRKSA-N 2 0 226.368 1.241 20 0 BDADRP CCN(CC)C(=[NH2+])NCC[N@@H+]1CC[C@@H](C)C1 ZINC000849004636 588432081 /nfs/dbraw/zinc/43/20/81/588432081.db2.gz SADCNPCWCIOAMK-LLVKDONJSA-N 2 0 226.368 1.194 20 0 BDADRP CC[NH+]1CCC(CCNC(=[NH2+])NC2CC2)CC1 ZINC000849007517 588433368 /nfs/dbraw/zinc/43/33/68/588433368.db2.gz VQNSYPBHVDGXGW-UHFFFAOYSA-N 2 0 238.379 1.385 20 0 BDADRP CCN(CC)C(=[NH2+])NCC[C@H]1CCC[N@H+](C)C1 ZINC000849040708 588447728 /nfs/dbraw/zinc/44/77/28/588447728.db2.gz CLWQEBMHRJLDOH-GFCCVEGCSA-N 2 0 240.395 1.584 20 0 BDADRP CC(C)CNC(=[NH2+])NCCC[N@H+](C)CC(C)C ZINC000849047035 588450190 /nfs/dbraw/zinc/45/01/90/588450190.db2.gz NLEFZMZQBFPQEG-UHFFFAOYSA-N 2 0 242.411 1.734 20 0 BDADRP CC[N@H+](CCCNC(=[NH2+])NC)C1CCCCC1 ZINC000849047254 588450700 /nfs/dbraw/zinc/45/07/00/588450700.db2.gz SBBJHCZMZLYKAZ-UHFFFAOYSA-N 2 0 240.395 1.775 20 0 BDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CC[C@@H]1C ZINC000850499928 588552146 /nfs/dbraw/zinc/55/21/46/588552146.db2.gz ANVCUIIIDUAYCY-MELADBBJSA-N 2 0 241.423 1.647 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCOC(F)F)C[C@H]21 ZINC000852746632 588699010 /nfs/dbraw/zinc/69/90/10/588699010.db2.gz MUWRXALALMMDTH-OPRDCNLKSA-N 2 0 234.290 1.285 20 0 BDADRP C[C@@H]1CC[N@H+](CCCCCC[NH3+])[C@H](CN)C1 ZINC000852759405 588700397 /nfs/dbraw/zinc/70/03/97/588700397.db2.gz NSZMHIVBNZFKJM-OLZOCXBDSA-N 2 0 227.396 1.565 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CCC[C@@H]2OCC[C@@H]21 ZINC000852755108 588700437 /nfs/dbraw/zinc/70/04/37/588700437.db2.gz YKYMAYVVGHFUDR-STQMWFEESA-N 2 0 226.364 1.759 20 0 BDADRP C[C@@]12COC[C@]1(C)C[N@@H+](CCCCCC[NH3+])C2 ZINC000852755309 588700655 /nfs/dbraw/zinc/70/06/55/588700655.db2.gz LNHCLANPKQNHMG-OKILXGFUSA-N 2 0 240.391 1.864 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H](C)CC(C)(C)C ZINC000863543995 589297326 /nfs/dbraw/zinc/29/73/26/589297326.db2.gz ICOFDAQCQRJVSR-NSHDSACASA-N 2 0 216.369 1.637 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H](C)CSC(C)(C)C ZINC000863542999 589297432 /nfs/dbraw/zinc/29/74/32/589297432.db2.gz JOZJZMSOSGKMQJ-NSHDSACASA-N 2 0 248.436 1.732 20 0 BDADRP CCC(CC)NC(=[NH2+])NCC[NH+]1CCCC1 ZINC000864450409 589364150 /nfs/dbraw/zinc/36/41/50/589364150.db2.gz MDRSIZKEAIEZDE-UHFFFAOYSA-N 2 0 226.368 1.385 20 0 BDADRP C[NH+](C)[C@H](CNC(=[NH2+])NCCC1CC1)C1CC1 ZINC000864455753 589366911 /nfs/dbraw/zinc/36/69/11/589366911.db2.gz XTPJDNQKRTWJOA-GFCCVEGCSA-N 2 0 238.379 1.241 20 0 BDADRP C[NH+]1CCC(CNC(=[NH2+])NCCC2CC2)CC1 ZINC000864457622 589368067 /nfs/dbraw/zinc/36/80/67/589368067.db2.gz TVDJASQULCDITJ-UHFFFAOYSA-N 2 0 238.379 1.242 20 0 BDADRP CC(C)C[N@H+](C)CCCNC(=[NH2+])N[C@@H]1C[C@H]1C ZINC000864468839 589372605 /nfs/dbraw/zinc/37/26/05/589372605.db2.gz JHHORLZXMIAELS-VXGBXAGGSA-N 2 0 240.395 1.487 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cn(C3CC3)cn2)C1 ZINC000865617216 589451523 /nfs/dbraw/zinc/45/15/23/589451523.db2.gz MVNIEEFOEWHOOQ-VDISTLRHSA-N 2 0 248.374 1.648 20 0 BDADRP CC(C)(O)CN1CC[C@H]([NH2+]CC2(C)CCC2)C1 ZINC000865660250 589454758 /nfs/dbraw/zinc/45/47/58/589454758.db2.gz RARSBYPWRZUFGL-LBPRGKRZSA-N 2 0 240.391 1.611 20 0 BDADRP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCCC1CC1)C2 ZINC000866668683 589510023 /nfs/dbraw/zinc/51/00/23/589510023.db2.gz ICXIQMNESWLGRH-CHWSQXEVSA-N 2 0 208.349 1.990 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccc3c(c2)COC3)C[C@H]1C[NH3+] ZINC000866673169 589510554 /nfs/dbraw/zinc/51/05/54/589510554.db2.gz WZOCDNZKKNDHIU-IAQYHMDHSA-N 2 0 246.354 1.743 20 0 BDADRP CC(C)(C)[C@]1(C[NH3+])CCN(C[C@H]2CC[NH2+]C2)C1 ZINC000866704725 589513222 /nfs/dbraw/zinc/51/32/22/589513222.db2.gz XFGPXCBIHMDSDR-JSGCOSHPSA-N 2 0 239.407 1.293 20 0 BDADRP CC1(C)[C@@H]([NH3+])c2ccccc2N1CC[NH3+] ZINC000866702082 589513880 /nfs/dbraw/zinc/51/38/80/589513880.db2.gz UMRMRNRUOWIUNT-NSHDSACASA-N 2 0 205.305 1.244 20 0 BDADRP CC1(C)[C@@H]([NH3+])c2ccccc2N1C[C@H]1CC[NH2+]C1 ZINC000866701360 589513999 /nfs/dbraw/zinc/51/39/99/589513999.db2.gz OPFGMHWKTTVPBH-FZMZJTMJSA-N 2 0 245.370 1.895 20 0 BDADRP C[NH2+]CC(=O)N1c2ccccc2[C@H]([NH3+])C1(C)C ZINC000867991377 589542712 /nfs/dbraw/zinc/54/27/12/589542712.db2.gz NZUVIDWATOVXCM-LBPRGKRZSA-N 2 0 233.315 1.031 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])CN1Cc1cccc(Cl)n1 ZINC000122309222 589577938 /nfs/dbraw/zinc/57/79/38/589577938.db2.gz KTCNVNOULDEYSV-ZJUUUORDSA-N 2 0 239.750 1.904 20 0 BDADRP C[C@H]1C[C@H](C[NH3+])CN1Cc1cnc(Cl)s1 ZINC000122360030 589583117 /nfs/dbraw/zinc/58/31/17/589583117.db2.gz IGGRWGFRCYDBFO-JGVFFNPUSA-N 2 0 245.779 1.966 20 0 BDADRP [NH3+]Cc1cccc(NC(=O)CC[NH2+]CC2CC2)c1 ZINC000870932495 589697980 /nfs/dbraw/zinc/69/79/80/589697980.db2.gz GMRGKNKOROPCEI-UHFFFAOYSA-N 2 0 247.342 1.474 20 0 BDADRP C[C@@H](CCCC[NH3+])NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870947722 589700908 /nfs/dbraw/zinc/70/09/08/589700908.db2.gz SAVRTUUVOCXZDU-SRVKXCTJSA-N 2 0 241.379 1.138 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000870964466 589702317 /nfs/dbraw/zinc/70/23/17/589702317.db2.gz FNZAACWRDWLAAC-BREBYQMCSA-N 2 0 247.342 1.173 20 0 BDADRP [NH3+][C@H]1CC[C@@H](c2nc(C3([NH3+])CCC3)no2)CC1 ZINC000871787435 589818820 /nfs/dbraw/zinc/81/88/20/589818820.db2.gz VCMKVIXTZKCBSV-DTORHVGOSA-N 2 0 236.319 1.392 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H]2C[C@H](O)C2)[C@@H](C)C1 ZINC000872125739 589875245 /nfs/dbraw/zinc/87/52/45/589875245.db2.gz CKMKAZWPJCMZFG-ZDEQEGDKSA-N 2 0 226.364 1.077 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2C[C@H](O)C2)[C@H]2CCC[C@H]21 ZINC000872127407 589877098 /nfs/dbraw/zinc/87/70/98/589877098.db2.gz RXUAAMCHMLWNBN-XGFWRYKXSA-N 2 0 238.375 1.220 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000872141316 589881945 /nfs/dbraw/zinc/88/19/45/589881945.db2.gz DIDQWGZZLAJVSD-STQMWFEESA-N 2 0 238.375 1.487 20 0 BDADRP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000872141921 589882408 /nfs/dbraw/zinc/88/24/08/589882408.db2.gz ZPVNPLUIBVPUPA-RQJABVFESA-N 2 0 240.391 1.907 20 0 BDADRP C([C@@H]1CC2(CCC2)CO1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000872144161 589883680 /nfs/dbraw/zinc/88/36/80/589883680.db2.gz WFKGWLMWLVDBHF-XQQFMLRXSA-N 2 0 236.359 1.097 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@@H]1CC2(CCC2)CO1 ZINC000872144616 589883994 /nfs/dbraw/zinc/88/39/94/589883994.db2.gz IBNBVIFDDNVNRW-AGIUHOORSA-N 2 0 238.375 1.757 20 0 BDADRP CC(=O)[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000872146158 589885425 /nfs/dbraw/zinc/88/54/25/589885425.db2.gz HAEYLOKDHHUZQI-ZDUSSCGKSA-N 2 0 224.348 1.287 20 0 BDADRP Cc1cc(C[N@H+](C)CCCCCC[NH3+])ncn1 ZINC000872155367 589886438 /nfs/dbraw/zinc/88/64/38/589886438.db2.gz LEBWQZVBOZWEFY-UHFFFAOYSA-N 2 0 236.363 1.736 20 0 BDADRP C[NH+](C)C1(CNc2cc[nH+]cc2C2CC2)CC1 ZINC000872572742 589953806 /nfs/dbraw/zinc/95/38/06/589953806.db2.gz QDGPXJQZBFIYKV-UHFFFAOYSA-N 2 0 231.343 1.887 20 0 BDADRP O[C@H]1C[C@H](C[NH2+]Cc2cccc3nccn32)C1 ZINC000873177568 589989949 /nfs/dbraw/zinc/98/99/49/589989949.db2.gz UXEKKASXJLEQPH-UMSPYCQHSA-N 2 0 231.299 1.195 20 0 BDADRP CC[NH2+]CCNCc1cc2c(s1)CC[NH2+]C2 ZINC000873210652 589994937 /nfs/dbraw/zinc/99/49/37/589994937.db2.gz MZJXQQUFSSCLCC-UHFFFAOYSA-N 2 0 239.388 1.093 20 0 BDADRP C[NH2+]C[C@@H](C)NCc1cc2c(s1)CC[NH2+]C2 ZINC000873211777 589996621 /nfs/dbraw/zinc/99/66/21/589996621.db2.gz BBBCCTPVDQDSNX-SECBINFHSA-N 2 0 239.388 1.091 20 0 BDADRP [NH3+][C@@H]1C[C@H]1c1ccc(NC[C@]23C[C@H]2C[NH2+]C3)cc1 ZINC000873215709 589997775 /nfs/dbraw/zinc/99/77/75/589997775.db2.gz MDCRVXPRANULID-SPWCGHHHSA-N 2 0 243.354 1.523 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1C[C@H](O)CC(C)(C)C1 ZINC000873221888 589999510 /nfs/dbraw/zinc/99/95/10/589999510.db2.gz SGFOUOFLESPWNQ-NWDGAFQWSA-N 2 0 228.380 1.453 20 0 BDADRP CC(=O)C1CC[NH+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000873228015 590000311 /nfs/dbraw/zinc/00/03/11/590000311.db2.gz PYRIYHFJGAXYPT-WCQYABFASA-N 2 0 238.375 1.676 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CC[NH2+][C@H](C)C1)c1ccnn1C ZINC000873224187 590001335 /nfs/dbraw/zinc/00/13/35/590001335.db2.gz ZDOYOLSQQDEDEG-WOPDTQHZSA-N 2 0 236.363 1.459 20 0 BDADRP C[C@H]1C[C@H](C[N@H+](C)CCCCCC[NH3+])CC[NH2+]1 ZINC000873231431 590002693 /nfs/dbraw/zinc/00/26/93/590002693.db2.gz IUICLOSHEWCZTH-UONOGXRCSA-N 3 0 241.423 1.825 20 0 BDADRP C(C[C@H]1CCOC1)[NH2+][C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000873231052 590003633 /nfs/dbraw/zinc/00/36/33/590003633.db2.gz FQEALWBLVPQNCM-RWMBFGLXSA-N 2 0 224.348 1.287 20 0 BDADRP CC1(C)CC[C@H](CN[C@@H]2CCC[C@H]2[NH3+])[NH2+]C1 ZINC000873236397 590004402 /nfs/dbraw/zinc/00/44/02/590004402.db2.gz HBCZBRSAVMSDRO-IJLUTSLNSA-N 2 0 225.380 1.234 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccccn1 ZINC000873253025 590005141 /nfs/dbraw/zinc/00/51/41/590005141.db2.gz XSTQKPKZNAZNNQ-MXWKQRLJSA-N 2 0 205.305 1.470 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccnc(F)c1 ZINC000873240875 590005363 /nfs/dbraw/zinc/00/53/63/590005363.db2.gz CMMZSQSUQJPHNE-LLVKDONJSA-N 2 0 241.310 1.064 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000873249812 590007178 /nfs/dbraw/zinc/00/71/78/590007178.db2.gz OWSPHXSHKKYWSO-KBHBFKLGSA-N 3 0 241.423 1.965 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000873249813 590007219 /nfs/dbraw/zinc/00/72/19/590007219.db2.gz OWSPHXSHKKYWSO-MRFVTOPCSA-N 3 0 241.423 1.965 20 0 BDADRP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000873252855 590008978 /nfs/dbraw/zinc/00/89/78/590008978.db2.gz WOPQPZVQIGZETH-RNJOBUHISA-N 2 0 226.364 1.517 20 0 BDADRP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873254316 590009413 /nfs/dbraw/zinc/00/94/13/590009413.db2.gz QLZLJUMVWOFNBE-UMNHJUIQSA-N 2 0 234.347 1.124 20 0 BDADRP COCC[C@H]1CCC[C@@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873255211 590010281 /nfs/dbraw/zinc/01/02/81/590010281.db2.gz DREMXHSHLVRUJZ-LPWJVIDDSA-N 2 0 226.364 1.519 20 0 BDADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000873255339 590010393 /nfs/dbraw/zinc/01/03/93/590010393.db2.gz GKZVLXXSHXNQHM-XDTLVQLUSA-N 2 0 208.349 1.892 20 0 BDADRP COc1ccccc1C[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873256884 590011429 /nfs/dbraw/zinc/01/14/29/590011429.db2.gz QRLYIFUUYLDNOX-SGMGOOAPSA-N 2 0 248.370 1.953 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cncs1 ZINC000873258234 590013029 /nfs/dbraw/zinc/01/30/29/590013029.db2.gz YNWUECRYUIBIHH-IWSPIJDZSA-N 2 0 211.334 1.531 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc2c(c1)OCO2 ZINC000873258924 590013140 /nfs/dbraw/zinc/01/31/40/590013140.db2.gz WDHQOTGIHFINAU-NHCYSSNCSA-N 2 0 248.326 1.803 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccccn1 ZINC000873258206 590013194 /nfs/dbraw/zinc/01/31/94/590013194.db2.gz XSTQKPKZNAZNNQ-GMTAPVOTSA-N 2 0 205.305 1.470 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873261352 590013451 /nfs/dbraw/zinc/01/34/51/590013451.db2.gz NMYGVNCFNNSBEG-RKQHYHRCSA-N 3 0 237.391 1.234 20 0 BDADRP CC[C@H](COC)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873260087 590013743 /nfs/dbraw/zinc/01/37/43/590013743.db2.gz RZLUXNYLOPWDND-FVCCEPFGSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873262367 590014264 /nfs/dbraw/zinc/01/42/64/590014264.db2.gz XYECGLCFENOOLF-FQUUOJAGSA-N 3 0 239.407 1.624 20 0 BDADRP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873263511 590014307 /nfs/dbraw/zinc/01/43/07/590014307.db2.gz IRYXDIKZUGSWNL-SYEHKZFSSA-N 2 0 248.374 1.899 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873261761 590014316 /nfs/dbraw/zinc/01/43/16/590014316.db2.gz RJCRKKULBYXHBC-NJMOYASZSA-N 3 0 225.380 1.232 20 0 BDADRP C[C@@H]1COCC[C@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873261931 590014413 /nfs/dbraw/zinc/01/44/13/590014413.db2.gz UACZDNQMDVTARR-RKQHYHRCSA-N 2 0 238.375 1.532 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCOC[C@@H]1C)C1CC[NH2+]CC1 ZINC000873269554 590015318 /nfs/dbraw/zinc/01/53/18/590015318.db2.gz RSFOXFLACWGEJB-DMDPSCGWSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])C1CC[NH2+]CC1 ZINC000873269566 590015587 /nfs/dbraw/zinc/01/55/87/590015587.db2.gz IBKPKSOZOPUROZ-XBFCOCLRSA-N 3 0 239.407 1.482 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)C2CC[NH2+]CC2)C1 ZINC000873272034 590016160 /nfs/dbraw/zinc/01/61/60/590016160.db2.gz OBJNQRZXTTYCFX-FPMFFAJLSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000873271457 590016185 /nfs/dbraw/zinc/01/61/85/590016185.db2.gz IFYDKCZDRMXBAK-LOWVWBTDSA-N 3 0 225.380 1.105 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC[NH2+]CC[C@H]1C)C1CC[NH2+]CC1 ZINC000873270583 590016335 /nfs/dbraw/zinc/01/63/35/590016335.db2.gz XWPAWUDGTVLWQB-BZPMIXESSA-N 3 0 239.407 1.352 20 0 BDADRP CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873273085 590016804 /nfs/dbraw/zinc/01/68/04/590016804.db2.gz XZAZTWUBZISWND-VWYCJHECSA-N 2 0 214.353 1.388 20 0 BDADRP Nc1cc(F)cc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000873290106 590023371 /nfs/dbraw/zinc/02/33/71/590023371.db2.gz OCGAIZVAZZFWEP-AAEUAGOBSA-N 2 0 237.322 1.767 20 0 BDADRP CCC(CC)(C[NH3+])NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000876530992 590210372 /nfs/dbraw/zinc/21/03/72/590210372.db2.gz XJLNLAKEFMUIJQ-PHIMTYICSA-N 2 0 241.379 1.138 20 0 BDADRP Cc1cnccc1NC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876752857 590237796 /nfs/dbraw/zinc/23/77/96/590237796.db2.gz BEDJOLSBUZSHGQ-KOLCDFICSA-N 2 0 233.315 1.124 20 0 BDADRP [NH3+][C@H]1CC=C(C(=O)N2CCC[C@H]2c2ncc[nH]2)C1 ZINC000876903127 590255394 /nfs/dbraw/zinc/25/53/94/590255394.db2.gz LDNKIRFABHKWIH-QWRGUYRKSA-N 2 0 246.314 1.121 20 0 BDADRP C[C@H]([NH3+])CN(C)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000877094731 590282222 /nfs/dbraw/zinc/28/22/22/590282222.db2.gz COFMZSXOBPAMGO-AAEUAGOBSA-N 2 0 249.358 1.272 20 0 BDADRP C[NH2+]CCC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877137416 590290883 /nfs/dbraw/zinc/29/08/83/590290883.db2.gz VHJQZYJEIDBQIU-NWDGAFQWSA-N 2 0 233.315 1.049 20 0 BDADRP C[C@@H](C[NH3+])C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877136700 590291181 /nfs/dbraw/zinc/29/11/81/590291181.db2.gz KKOCESYJPYTAAE-KPXOXKRLSA-N 2 0 233.315 1.035 20 0 BDADRP C[C@@H]([NH2+]C1CC1)C(=O)N(C)CCCCCC[NH3+] ZINC000877438751 590328159 /nfs/dbraw/zinc/32/81/59/590328159.db2.gz VUPLRGQZJAQMLQ-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP CO[C@H]1C[C@@H](C[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000877959123 590458851 /nfs/dbraw/zinc/45/88/51/590458851.db2.gz GOYFLPQTUHCWKE-BJHJDKERSA-N 2 0 226.364 1.437 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2C[C@@H](OC)C2)C1 ZINC000878167259 590513888 /nfs/dbraw/zinc/51/38/88/590513888.db2.gz RBMYRHCLKSRUQC-MELADBBJSA-N 2 0 240.391 1.685 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)C1 ZINC000878513253 590583707 /nfs/dbraw/zinc/58/37/07/590583707.db2.gz YNSZZJIIYHCXKD-MCIONIFRSA-N 2 0 240.391 1.828 20 0 BDADRP CC(C)[C@@H](O)CC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000878645050 590600266 /nfs/dbraw/zinc/60/02/66/590600266.db2.gz GTMRZYAAMJUQSN-UONOGXRCSA-N 2 0 240.391 1.421 20 0 BDADRP C[N@@H+]1CC[C@H]2C[NH+](CCC(C)(C)O)CC[C@@H]21 ZINC000879573994 590815296 /nfs/dbraw/zinc/81/52/96/590815296.db2.gz VJZRZARIKPKRBS-RYUDHWBXSA-N 2 0 226.364 1.173 20 0 BDADRP CC1([NH+]2CCC2)CC[NH+](CCCCCO)CC1 ZINC000880472724 591053285 /nfs/dbraw/zinc/05/32/85/591053285.db2.gz ZNYNTPDXOPQAPR-UHFFFAOYSA-N 2 0 240.391 1.709 20 0 BDADRP C[C@@H](O)CC[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880473373 591054482 /nfs/dbraw/zinc/05/44/82/591054482.db2.gz DGZXDVNGNRTQDS-GFCCVEGCSA-N 2 0 226.364 1.318 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cncs1 ZINC000131448079 591609705 /nfs/dbraw/zinc/60/97/05/591609705.db2.gz PMNCFCBOWVAPHP-WCBMZHEXSA-N 2 0 211.334 1.360 20 0 BDADRP C=C/C=C/CCN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000883433833 591664256 /nfs/dbraw/zinc/66/42/56/591664256.db2.gz ZXWCKKWWQFIVJL-OOPCZODUSA-N 2 0 206.333 1.947 20 0 BDADRP C=C/C=C\CCN1CC[C@]2(CCC[NH2+]2)C1 ZINC000883433831 591664732 /nfs/dbraw/zinc/66/47/32/591664732.db2.gz ZXWCKKWWQFIVJL-DHCBQETCSA-N 2 0 206.333 1.947 20 0 BDADRP C[NH2+]C[C@H]1CCCCN1CC[C@@H]1CC[NH2+]C1 ZINC000883450113 591670963 /nfs/dbraw/zinc/67/09/63/591670963.db2.gz BBLDTENHCWACIH-QWHCGFSZSA-N 2 0 225.380 1.060 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]C2CCOCC2)c2ccccc21 ZINC000131982168 591682559 /nfs/dbraw/zinc/68/25/59/591682559.db2.gz DLOPNMXUBUBJRR-KBPBESRZSA-N 2 0 232.327 1.900 20 0 BDADRP CC[S@](=O)CC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000133516432 591811067 /nfs/dbraw/zinc/81/10/67/591811067.db2.gz ORKNYLYHYDNCLK-BDJLRTHQSA-N 2 0 246.420 1.075 20 0 BDADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000884292318 591895856 /nfs/dbraw/zinc/89/58/56/591895856.db2.gz WGXJEHOYVJPRHX-RYUDHWBXSA-N 2 0 243.395 1.254 20 0 BDADRP [NH3+][C@@H](CC1CC1)C(=O)N1CCC[C@H]1c1ncc[nH]1 ZINC000884331451 591904658 /nfs/dbraw/zinc/90/46/58/591904658.db2.gz NVUAESSAUSCHPF-QWRGUYRKSA-N 2 0 248.330 1.201 20 0 BDADRP CC(C)CCCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000134298786 591913386 /nfs/dbraw/zinc/91/33/86/591913386.db2.gz RKRAOTKJRYMMBE-AWEZNQCLSA-N 2 0 242.407 1.859 20 0 BDADRP Cc1n[nH]c(C[NH2+]CCCn2ccnc2)c1C ZINC000885892032 592105722 /nfs/dbraw/zinc/10/57/22/592105722.db2.gz VKJQQMGQGIXQFN-UHFFFAOYSA-N 2 0 233.319 1.403 20 0 BDADRP C[C@@H]1SCC[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000220694888 592325367 /nfs/dbraw/zinc/32/53/67/592325367.db2.gz VQLXZXBXPXVRGK-CMPLNLGQSA-N 2 0 228.405 1.812 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](C[C@@H]2C[C@]23CCOC3)C1 ZINC000886828233 592350987 /nfs/dbraw/zinc/35/09/87/592350987.db2.gz ZZIWNHOJTBJRLD-AVGNSLFASA-N 2 0 224.348 1.084 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC000886827712 592351368 /nfs/dbraw/zinc/35/13/68/592351368.db2.gz QDPZCHJJXNODFX-MELADBBJSA-N 2 0 238.375 1.344 20 0 BDADRP CC(C)NC(=[NH2+])NCCC[N@H+](C)C(C)C ZINC000221875063 592455578 /nfs/dbraw/zinc/45/55/78/592455578.db2.gz LSUBJDZFZCKWDY-UHFFFAOYSA-N 2 0 214.357 1.239 20 0 BDADRP C[C@@H](CNC(=[NH2+])NCC1CC1)C[NH+]1CCCC1 ZINC000887351709 592486274 /nfs/dbraw/zinc/48/62/74/592486274.db2.gz YDOAVWAHKYPJAY-NSHDSACASA-N 2 0 238.379 1.242 20 0 BDADRP [NH3+][C@@H]1C[C@@H](N[C@@H]2CCCC[C@H]2[NH3+])C12CCC2 ZINC000925704709 634383513 /nfs/dbraw/zinc/38/35/13/634383513.db2.gz JMAOMSOTFNISOD-DDHJBXDOSA-N 2 0 223.364 1.116 20 0 BDADRP CSC(C)(C)C[C@@H](C)[NH2+]CCN(C)CC[NH3+] ZINC001258333086 991242497 /nfs/dbraw/zinc/24/24/97/991242497.db2.gz LCAJEPSLFAREKO-LLVKDONJSA-N 2 0 247.452 1.387 20 0 BDADRP CC(C)(C[NH3+])C[NH2+]C[C@@]1(C)CCCCO1 ZINC001575315893 993009333 /nfs/dbraw/zinc/00/93/33/993009333.db2.gz ZTIHIUHCONZANI-GFCCVEGCSA-N 2 0 214.353 1.520 20 0 BDADRP C[C@H](N)[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000925705102 634385580 /nfs/dbraw/zinc/38/55/80/634385580.db2.gz HSNVMROVTDAQES-VIRABCJISA-N 2 0 247.386 1.792 20 0 BDADRP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@H]2[NH2+][C@H]1C=CCC1 ZINC000925713511 634416441 /nfs/dbraw/zinc/41/64/41/634416441.db2.gz WFRHRPQBIKFPKS-PPCPHDFISA-N 2 0 222.332 1.047 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@@H](NCC23CC(C2)C[NH2+]3)C1 ZINC000925715587 634442072 /nfs/dbraw/zinc/44/20/72/634442072.db2.gz JZAVBNOSEDQTDD-MRFPXMQZSA-N 2 0 237.391 1.234 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@H]1COCC1(C)C ZINC000313075185 634446836 /nfs/dbraw/zinc/44/68/36/634446836.db2.gz ITVFBJXWSATILV-LBPRGKRZSA-N 2 0 228.380 1.731 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)C1 ZINC000925726760 634523056 /nfs/dbraw/zinc/52/30/56/634523056.db2.gz LNGATNBCLPEERS-ODXJTPSBSA-N 2 0 238.375 1.519 20 0 BDADRP CC1(C)[C@H]([NH2+]C[C@H]2C[C@H](O)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925730462 634553920 /nfs/dbraw/zinc/55/39/20/634553920.db2.gz OHDCFJGXWJJSQU-NJMOYASZSA-N 2 0 238.375 1.124 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@]1(C)CC1(C)C ZINC000925732500 634573510 /nfs/dbraw/zinc/57/35/10/634573510.db2.gz BYQQQSYRRFKOIR-ZJQBRPOHSA-N 2 0 240.391 1.765 20 0 BDADRP C[C@H]([NH3+])[C@@H](NCCC(C)(C)[NH3+])c1ccccc1 ZINC000925736683 634591087 /nfs/dbraw/zinc/59/10/87/634591087.db2.gz JBWXLSOEPVYXAS-WCQYABFASA-N 2 0 235.375 1.792 20 0 BDADRP C[C@H]([NH2+]CCC(C)(C)[NH3+])c1ccnn1C ZINC000925736518 634588515 /nfs/dbraw/zinc/58/85/15/634588515.db2.gz BBQALWMNRPAYCC-VIFPVBQESA-N 2 0 210.325 1.198 20 0 BDADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCCc3n[nH]cc32)CC1 ZINC000336114447 634605927 /nfs/dbraw/zinc/60/59/27/634605927.db2.gz YBWZZRWREPPRLD-ZDUSSCGKSA-N 2 0 246.358 1.639 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CCC[C@@H]1CCF ZINC000925782760 635279261 /nfs/dbraw/zinc/27/92/61/635279261.db2.gz HQDNSRHTUNVIIM-WISYIIOYSA-N 2 0 214.328 1.712 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCCOC1 ZINC000925799442 635342492 /nfs/dbraw/zinc/34/24/92/635342492.db2.gz UYVQXAFCGLGVNY-XJFOESAGSA-N 2 0 240.391 1.637 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000925822982 635406114 /nfs/dbraw/zinc/40/61/14/635406114.db2.gz NEPSFKBURDZWQX-IQIPOGNMSA-N 2 0 212.337 1.269 20 0 BDADRP CC(C)C[C@H](O)C[NH2+]CC1CC[NH+](C)CC1 ZINC000226078759 635421475 /nfs/dbraw/zinc/42/14/75/635421475.db2.gz VJVANMSFOYLKAD-ZDUSSCGKSA-N 2 0 228.380 1.325 20 0 BDADRP C[C@H](NC[C@]12CCC[C@H]1[NH2+]CC2)[C@H]1CC[NH2+]C1 ZINC000925841840 635506252 /nfs/dbraw/zinc/50/62/52/635506252.db2.gz URMSMMBMYJOAQQ-IGQOVBAYSA-N 2 0 237.391 1.106 20 0 BDADRP COC[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000234711333 635559082 /nfs/dbraw/zinc/55/90/82/635559082.db2.gz KIGLPUUYUZVAEZ-UPJWGTAASA-N 2 0 226.364 1.200 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000925880597 635607937 /nfs/dbraw/zinc/60/79/37/635607937.db2.gz UJCUVHNZNIQORG-YVECIDJPSA-N 3 0 239.407 1.609 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000925881672 635610753 /nfs/dbraw/zinc/61/07/53/635610753.db2.gz DKSPDDUKLKBKKF-CRWXNKLISA-N 3 0 237.391 1.330 20 0 BDADRP CO[C@@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)C12CCC2 ZINC000308364946 631306658 /nfs/dbraw/zinc/30/66/58/631306658.db2.gz KDSFFIWEHRIOKE-CHWSQXEVSA-N 2 0 240.391 1.875 20 0 BDADRP C[NH+]1CCC(C[NH2+]CCCCCCO)CC1 ZINC000234323874 631312584 /nfs/dbraw/zinc/31/25/84/631312584.db2.gz KKQAEQRLJMMCHN-UHFFFAOYSA-N 2 0 228.380 1.471 20 0 BDADRP C[C@H](CNC1CC[NH+](C)CC1)C[NH+]1CCCC1 ZINC000062077958 631645025 /nfs/dbraw/zinc/64/50/25/631645025.db2.gz SKLMREOACNVWPG-CYBMUJFWSA-N 2 0 239.407 1.402 20 0 BDADRP CC(C)C[NH+]1CCN(C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000104217905 631732393 /nfs/dbraw/zinc/73/23/93/631732393.db2.gz IWEHEEGJEZENMD-KGLIPLIRSA-N 2 0 239.407 1.116 20 0 BDADRP CC[C@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000051919016 632012818 /nfs/dbraw/zinc/01/28/18/632012818.db2.gz SKOPBCDZCMFLMP-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH2+]C(C)(C)CSC ZINC000934667243 632015178 /nfs/dbraw/zinc/01/51/78/632015178.db2.gz AELDAHGRUNEPPN-SNVBAGLBSA-N 2 0 234.409 1.030 20 0 BDADRP C[NH+](C)CC(C)(C)CNC(=[NH2+])NC1CCCC1 ZINC000052046758 632055273 /nfs/dbraw/zinc/05/52/73/632055273.db2.gz ZHWLSRPGKHPRHQ-UHFFFAOYSA-N 2 0 240.395 1.631 20 0 BDADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]C1CCCC1 ZINC000237975122 632055582 /nfs/dbraw/zinc/05/55/82/632055582.db2.gz TVRNGQYGFZXVHA-CQSZACIVSA-N 2 0 240.391 1.756 20 0 BDADRP C[NH+](C)CCCNC(=[NH2+])NC1CCCCC1 ZINC000052046939 632055708 /nfs/dbraw/zinc/05/57/08/632055708.db2.gz KAIVNTLVDKLAKA-UHFFFAOYSA-N 2 0 226.368 1.385 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@H]2CCCO2)CC[C@@H]1C[NH3+] ZINC000251733593 635707920 /nfs/dbraw/zinc/70/79/20/635707920.db2.gz KLBNTQSJGSGLFE-JHJVBQTASA-N 2 0 226.364 1.472 20 0 BDADRP [NH3+][C@@H](CC(F)F)C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000309511187 632433991 /nfs/dbraw/zinc/43/39/91/632433991.db2.gz PJBTZBYSNSGAHW-AXFHLTTASA-N 2 0 230.302 1.867 20 0 BDADRP CC(C)(C)NC(=O)CC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000228335742 632465469 /nfs/dbraw/zinc/46/54/69/632465469.db2.gz GFABVYDYNSZTNV-QWRGUYRKSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@@H](CCO)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000309558544 632496066 /nfs/dbraw/zinc/49/60/66/632496066.db2.gz KHMNGDGWWZDCOJ-LBPRGKRZSA-N 2 0 228.380 1.469 20 0 BDADRP CCOC[C@H](C)[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000250572986 632542094 /nfs/dbraw/zinc/54/20/94/632542094.db2.gz WRWXRZGVAVHTIC-GARJFASQSA-N 2 0 200.326 1.128 20 0 BDADRP C[C@H]1COCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000310064662 632697926 /nfs/dbraw/zinc/69/79/26/632697926.db2.gz OZNOFEVCEPWIHF-APYLGABCSA-N 2 0 238.375 1.626 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H](CO)C2)CC1 ZINC000310394916 632733700 /nfs/dbraw/zinc/73/37/00/632733700.db2.gz HFRDZEHXOZLDNK-ZIAGYGMSSA-N 2 0 240.391 1.469 20 0 BDADRP CC(C)CC[NH+]1CCC([NH2+]CCCO)CC1 ZINC000924537401 632769688 /nfs/dbraw/zinc/76/96/88/632769688.db2.gz ZNHCQQGYXLGZFR-UHFFFAOYSA-N 2 0 228.380 1.469 20 0 BDADRP C[C@H](O)C1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000235546291 632781656 /nfs/dbraw/zinc/78/16/56/632781656.db2.gz PQORWYLBYGWWOV-STQMWFEESA-N 2 0 240.391 1.469 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)CCCCC[NH3+] ZINC000154133475 632827981 /nfs/dbraw/zinc/82/79/81/632827981.db2.gz OKRDDRHTLAUFKS-VXGBXAGGSA-N 2 0 241.379 1.234 20 0 BDADRP CCNC(NCC[N@@H+]1CCC[C@@H](C)C1)=[NH+]CC ZINC000066243429 632860939 /nfs/dbraw/zinc/86/09/39/632860939.db2.gz RAYIDTVGTAFJLP-GFCCVEGCSA-N 2 0 240.395 1.293 20 0 BDADRP CC[C@H](C)[NH+]1CCN(c2cc[nH+]cc2CO)CC1 ZINC000126491189 635840103 /nfs/dbraw/zinc/84/01/03/635840103.db2.gz JKMJPQJTYIXBKC-LBPRGKRZSA-N 2 0 249.358 1.494 20 0 BDADRP CN(CC[NH+]1CCCCC1)c1cc[nH+]cc1CO ZINC000894407210 635893485 /nfs/dbraw/zinc/89/34/85/635893485.db2.gz RWCSMABJUVTSAP-UHFFFAOYSA-N 2 0 249.358 1.496 20 0 BDADRP CC[N@@H+]1CCCN(c2cc[nH+]c(CO)c2)CC1 ZINC000307776137 633118798 /nfs/dbraw/zinc/11/87/98/633118798.db2.gz PKRZMGYBFUMSPN-UHFFFAOYSA-N 2 0 235.331 1.106 20 0 BDADRP FC(F)(F)CCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328239738 633748701 /nfs/dbraw/zinc/74/87/01/633748701.db2.gz AWLZKNYXJILNKO-OGBGREFGSA-N 2 0 248.292 1.915 20 0 BDADRP CCSCCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328449509 633765739 /nfs/dbraw/zinc/76/57/39/633765739.db2.gz PCYPQQMTJJAWHZ-JZRPKSSGSA-N 2 0 240.416 1.716 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925539067 633948028 /nfs/dbraw/zinc/94/80/28/633948028.db2.gz GIYRHOVVBACTQC-GHMZBOCLSA-N 2 0 214.353 1.125 20 0 BDADRP CC[C@@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000309982837 634026550 /nfs/dbraw/zinc/02/65/50/634026550.db2.gz ADCSSJBCUMGZCA-ZIAGYGMSSA-N 2 0 240.391 1.565 20 0 BDADRP Cn1cc(CCC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)cn1 ZINC000925576897 634078687 /nfs/dbraw/zinc/07/86/87/634078687.db2.gz LCAGMZZWGBFZBB-QWHCGFSZSA-N 2 0 248.374 1.212 20 0 BDADRP Cc1n[nH]cc1C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925580857 634085782 /nfs/dbraw/zinc/08/57/82/634085782.db2.gz OJXOEQMRHNDLDX-NEPJUHHUSA-N 2 0 236.363 1.714 20 0 BDADRP CC(C)(CO)CN[C@H]1CC[NH2+]C12CCCC2 ZINC000925614197 634156981 /nfs/dbraw/zinc/15/69/81/634156981.db2.gz BQOSKQWCSGGBLG-NSHDSACASA-N 2 0 226.364 1.269 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCn3ccnc3C2)C12CCC2 ZINC000925643415 634195067 /nfs/dbraw/zinc/19/50/67/634195067.db2.gz IMRCISFMKNRCND-IJLUTSLNSA-N 2 0 246.358 1.057 20 0 BDADRP CCOC[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925645393 634197685 /nfs/dbraw/zinc/19/76/85/634197685.db2.gz PZBBYGOJUHWTRO-QJPTWQEYSA-N 2 0 228.380 1.907 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000925650844 634209320 /nfs/dbraw/zinc/20/93/20/634209320.db2.gz ZIJKYHMXQAWFOW-JFCZXUJCSA-N 2 0 238.375 1.253 20 0 BDADRP CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925661952 634226633 /nfs/dbraw/zinc/22/66/33/634226633.db2.gz FTSVTDKEGDEKLF-WUHRBBMRSA-N 2 0 238.375 1.804 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925672061 634256981 /nfs/dbraw/zinc/25/69/81/634256981.db2.gz GPTAZZVEQOHWPY-YNEHKIRRSA-N 2 0 242.407 1.747 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925678676 634273584 /nfs/dbraw/zinc/27/35/84/634273584.db2.gz FTYOOEYEJQVQSB-FRRDWIJNSA-N 2 0 242.407 1.891 20 0 BDADRP CC1(C)CCC[N@@H+]1CCN[C@H]1CC[NH2+]C1(C)C ZINC000925684015 634289332 /nfs/dbraw/zinc/28/93/32/634289332.db2.gz CYSUFQWONDGZHW-LBPRGKRZSA-N 2 0 239.407 1.591 20 0 BDADRP COCC[C@H](C)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925684391 634293936 /nfs/dbraw/zinc/29/39/36/634293936.db2.gz AMZSQCBFUDMJQY-RYUDHWBXSA-N 2 0 226.364 1.533 20 0 BDADRP CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925686895 634300335 /nfs/dbraw/zinc/30/03/35/634300335.db2.gz XKASFLKNQYZBGU-NOOOWODRSA-N 2 0 224.348 1.413 20 0 BDADRP C1CCC([C@@H]2C[NH2+]CC[C@H]2N[C@@H]2CC[NH2+]C2)C1 ZINC000925687753 634304867 /nfs/dbraw/zinc/30/48/67/634304867.db2.gz AUJRBTCSJJCNBV-HZSPNIEDSA-N 2 0 237.391 1.106 20 0 BDADRP C[C@H]([NH3+])[C@H](NC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000925691978 634321975 /nfs/dbraw/zinc/32/19/75/634321975.db2.gz LCRRBGOJGVWMDV-UBHSHLNASA-N 2 0 233.359 1.417 20 0 BDADRP C[C@@H]([NH3+])[C@@H](NCC[NH2+]C1CC1)c1ccccc1 ZINC000925692530 634325611 /nfs/dbraw/zinc/32/56/11/634325611.db2.gz MFGLCPOMZYGNSY-BXUZGUMPSA-N 2 0 233.359 1.417 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCCCN1 ZINC000925692616 634325746 /nfs/dbraw/zinc/32/57/46/634325746.db2.gz NHGZYUZJGLWNSO-VZANTVGXSA-N 2 0 237.391 1.234 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000925694087 634331507 /nfs/dbraw/zinc/33/15/07/634331507.db2.gz QSCOTWSIHXDWAK-UMSGYPCISA-N 2 0 226.364 1.519 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000925694084 634332359 /nfs/dbraw/zinc/33/23/59/634332359.db2.gz QSCOTWSIHXDWAK-QNWHQSFQSA-N 2 0 226.364 1.519 20 0 BDADRP CC(C)C[C@H](C[NH3+])N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925695263 634345962 /nfs/dbraw/zinc/34/59/62/634345962.db2.gz VDJMCPLKZBGMRY-YNEHKIRRSA-N 2 0 241.423 1.855 20 0 BDADRP C[C@]1(CN[C@H]2C[C@H]([NH3+])C23CCC3)CCC[NH2+]C1 ZINC000925697578 634360620 /nfs/dbraw/zinc/36/06/20/634360620.db2.gz GTOHXZWTWUMQOH-AVGNSLFASA-N 2 0 237.391 1.236 20 0 BDADRP [NH3+][C@H](C[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)C1CC1 ZINC000925697559 634360690 /nfs/dbraw/zinc/36/06/90/634360690.db2.gz GHMOVKVXZMYRKC-XJFOESAGSA-N 2 0 238.375 1.519 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@H]1CC[NH2+]C1(C)C ZINC000925698079 634361728 /nfs/dbraw/zinc/36/17/28/634361728.db2.gz IBMYSCSPNOGJPZ-MNOVXSKESA-N 2 0 213.369 1.234 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CC2=CC[NH2+]CC2)C1 ZINC000925700070 634369378 /nfs/dbraw/zinc/36/93/78/634369378.db2.gz REHGFKNEDWHCEW-QWHCGFSZSA-N 3 0 237.391 1.402 20 0 BDADRP CC1(C)C[C@@H](N[C@@H](C[NH3+])C2CC2)C[C@@H]([NH3+])C1 ZINC000925700544 634371055 /nfs/dbraw/zinc/37/10/55/634371055.db2.gz UEFHQAPFBRPSDL-WOPDTQHZSA-N 2 0 225.380 1.219 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CC[C@H]2CCCO2)C1 ZINC000925776615 635255837 /nfs/dbraw/zinc/25/58/37/635255837.db2.gz YVIHUZFQQRTMJU-QJPTWQEYSA-N 2 0 212.337 1.415 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000925802716 635350336 /nfs/dbraw/zinc/35/03/36/635350336.db2.gz IDZXOOOSRWZRGS-AAVRWANBSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)[C@@H](C)O1 ZINC000925802694 635351091 /nfs/dbraw/zinc/35/10/91/635351091.db2.gz IAIMCQRNVOBKHN-SYLRKERUSA-N 2 0 226.364 1.388 20 0 BDADRP COC[C@H](C[NH2+]C1CC[NH2+]CC1)C(C)C ZINC000925873963 635595476 /nfs/dbraw/zinc/59/54/76/635595476.db2.gz OLFJFCNTXGGPMN-NSHDSACASA-N 2 0 214.353 1.247 20 0 BDADRP COC[C@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])C(C)C ZINC000925873894 635595979 /nfs/dbraw/zinc/59/59/79/635595979.db2.gz MWGOWPVMMHGWJI-AVGNSLFASA-N 2 0 228.380 1.622 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)c2ncnn21 ZINC000924963567 635809852 /nfs/dbraw/zinc/80/98/52/635809852.db2.gz KUQWGDGAXOFEHF-ZYHUDNBSSA-N 2 0 249.362 1.215 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)C(C)(C)CO ZINC000925217383 636398716 /nfs/dbraw/zinc/39/87/16/636398716.db2.gz OLEMOZLQIJLYFX-AVGNSLFASA-N 2 0 242.407 1.856 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1c1nc([C@H]2CCC[NH2+]2)no1 ZINC000871788326 636537601 /nfs/dbraw/zinc/53/76/01/636537601.db2.gz MLKCXQBWZYUYFF-IWSPIJDZSA-N 2 0 236.319 1.335 20 0 BDADRP CC(C)[NH+](CCN[C@@H]1CCC[C@@H]1C[NH3+])C(C)C ZINC000089147023 636904767 /nfs/dbraw/zinc/90/47/67/636904767.db2.gz GCSAFBCNJNSLNH-ZIAGYGMSSA-N 2 0 241.423 1.822 20 0 BDADRP Cc1ccc(O)c(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)n1 ZINC000231459706 636940570 /nfs/dbraw/zinc/94/05/70/636940570.db2.gz WLFMADUMAQMEKR-GFCCVEGCSA-N 2 0 249.358 1.670 20 0 BDADRP CCON1CCC([NH2+]C[C@@H](C)C[NH+](C)C)CC1 ZINC000323434958 636942139 /nfs/dbraw/zinc/94/21/39/636942139.db2.gz BMFBVZDQJPVQKM-GFCCVEGCSA-N 2 0 243.395 1.190 20 0 BDADRP CCO[C@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000042424614 637244794 /nfs/dbraw/zinc/24/47/94/637244794.db2.gz YURUCXLARRCQRD-ZDUSSCGKSA-N 2 0 226.364 1.629 20 0 BDADRP CCC[C@@](C)(O)C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902362809 637298442 /nfs/dbraw/zinc/29/84/42/637298442.db2.gz ZWMJQLFIRHRDPM-TZMCWYRMSA-N 2 0 242.407 1.905 20 0 BDADRP CN(C)c1cc[nH+]c(CNC2CC[NH+](C)CC2)c1 ZINC000903203524 637353172 /nfs/dbraw/zinc/35/31/72/637353172.db2.gz UZSFAHJAAZFTML-UHFFFAOYSA-N 2 0 248.374 1.331 20 0 BDADRP CC[NH+](CC)CCCN1CCCC[C@H]1C[NH2+]C ZINC000903529148 637369478 /nfs/dbraw/zinc/36/94/78/637369478.db2.gz LLTBHUJXWHPEST-AWEZNQCLSA-N 2 0 241.423 1.792 20 0 BDADRP CCC[N@H+](CC)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903725265 637378683 /nfs/dbraw/zinc/37/86/83/637378683.db2.gz YMSFQXOUNDKHNB-ZDUSSCGKSA-N 2 0 240.391 1.877 20 0 BDADRP CC[N@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000903722942 637380274 /nfs/dbraw/zinc/38/02/74/637380274.db2.gz FKOVVJOQRQGZTQ-ZDUSSCGKSA-N 2 0 238.375 1.629 20 0 BDADRP CC(C)[C@H](C[NH3+])CN1CC[C@]2(C1)CCCC[NH2+]2 ZINC000904430301 637400054 /nfs/dbraw/zinc/40/00/54/637400054.db2.gz QXLMYWAADGWIIA-KGLIPLIRSA-N 2 0 239.407 1.435 20 0 BDADRP Oc1cncc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000904434080 637400851 /nfs/dbraw/zinc/40/08/51/637400851.db2.gz SXPSOTWZQMVEKU-VGPLMAKISA-N 2 0 247.342 1.407 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cncc(O)c2)C1 ZINC000904432826 637401053 /nfs/dbraw/zinc/40/10/53/637401053.db2.gz GZDULWCSPRMVMM-WDEREUQCSA-N 2 0 221.304 1.147 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+]CC2([NH3+])CC2)CCO1 ZINC000904448552 637414223 /nfs/dbraw/zinc/41/42/23/637414223.db2.gz BDYJQWGLOFCZHK-GHMZBOCLSA-N 2 0 212.337 1.273 20 0 BDADRP CC(C)([NH3+])c1ccc(NC[C@@]23C[C@@H]2C[NH2+]C3)cc1 ZINC000904474400 637425599 /nfs/dbraw/zinc/42/55/99/637425599.db2.gz FEUXJKAJFHFKGU-DOMZBBRYSA-N 2 0 245.370 1.902 20 0 BDADRP [NH3+]C1(c2noc([C@H]3[C@@H]4CC[NH2+]C[C@@H]43)n2)CCCC1 ZINC000905304782 637763205 /nfs/dbraw/zinc/76/32/05/637763205.db2.gz HTPYMLSEPLWDGM-UTLUCORTSA-N 2 0 248.330 1.121 20 0 BDADRP [NH3+][C@@H]1CC=C(c2nc(CC3CC[NH2+]CC3)no2)C1 ZINC000905309174 637765993 /nfs/dbraw/zinc/76/59/93/637765993.db2.gz UWYXVHJHOHEZII-LLVKDONJSA-N 2 0 248.330 1.116 20 0 BDADRP [NH3+]C1CC([NH2+]Cc2ccc(-n3cccn3)cc2)C1 ZINC000906508688 638181800 /nfs/dbraw/zinc/18/18/00/638181800.db2.gz UWRKHYGWHREVKY-UHFFFAOYSA-N 2 0 242.326 1.452 20 0 BDADRP [NH3+]C1CC(N[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000906511460 638184217 /nfs/dbraw/zinc/18/42/17/638184217.db2.gz UODZOTLCPKVPKT-OOJKYFRXSA-N 2 0 245.370 1.559 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]C/C=C/c2ccc(F)cc2)C1 ZINC000906516659 638186160 /nfs/dbraw/zinc/18/61/60/638186160.db2.gz GHJZVQTVBFPMEK-VYTNXIJVSA-N 2 0 220.291 1.918 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]CC2=Cc3ccccc3OC2)C1 ZINC000906518493 638187612 /nfs/dbraw/zinc/18/76/12/638187612.db2.gz PXEUNOURUNHUMD-JOCQHMNTSA-N 2 0 230.311 1.542 20 0 BDADRP [NH3+]Cc1cccc(NC(=O)CC2CC([NH3+])C2)c1 ZINC000911648825 639704486 /nfs/dbraw/zinc/70/44/86/639704486.db2.gz MJEHPYUPCMSFDH-UHFFFAOYSA-N 2 0 233.315 1.211 20 0 BDADRP CC(C)(C)[C@H]([NH3+])CC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000911713471 639739326 /nfs/dbraw/zinc/73/93/26/639739326.db2.gz IVLVQMRMRGIWTC-GHMZBOCLSA-N 2 0 241.379 1.008 20 0 BDADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000911722407 639745991 /nfs/dbraw/zinc/74/59/91/639745991.db2.gz ROHWDKYAIUTFCC-TUAOUCFPSA-N 2 0 241.379 1.090 20 0 BDADRP CCC(CC)(C[NH3+])NC(=O)C[C@@H]([NH3+])C(C)(C)C ZINC000911800174 639822775 /nfs/dbraw/zinc/82/27/75/639822775.db2.gz PKCPGRBRBYJJJY-SNVBAGLBSA-N 2 0 243.395 1.384 20 0 BDADRP C[NH2+]CCCCC(=O)N(C)C1CCC([NH3+])CC1 ZINC000911869269 639853494 /nfs/dbraw/zinc/85/34/94/639853494.db2.gz TVGKMCGKFMYTDJ-UHFFFAOYSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@H]1CC[C@@H]([NH2+]CCN2CCC([NH3+])CC2)C1 ZINC000129401123 639994099 /nfs/dbraw/zinc/99/40/99/639994099.db2.gz KRYGKXLRZKUVEP-WCQYABFASA-N 2 0 225.380 1.188 20 0 BDADRP C[C@H]1[C@H]([NH+](C)C)CCN1CC[NH+]1CCCC1 ZINC000931038231 640033902 /nfs/dbraw/zinc/03/39/02/640033902.db2.gz PGMVLSBJEJFAAM-QWHCGFSZSA-N 2 0 225.380 1.107 20 0 BDADRP CC(C)CCOCCN1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931282789 640121904 /nfs/dbraw/zinc/12/19/04/640121904.db2.gz ZMKAZJHRFBRPTN-WDNDVIMCSA-N 2 0 240.391 1.541 20 0 BDADRP C[NH+](C)C1(C)CC[NH+](CC2CCOCC2)CC1 ZINC000931350545 640163352 /nfs/dbraw/zinc/16/33/52/640163352.db2.gz NZSTYSZRXUOBDW-UHFFFAOYSA-N 2 0 240.391 1.829 20 0 BDADRP COCC[C@H](C)[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931351869 640167440 /nfs/dbraw/zinc/16/74/40/640167440.db2.gz WDYHUQMVFSIACA-LBPRGKRZSA-N 2 0 228.380 1.828 20 0 BDADRP CC(C)[C@H](O)CC[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931356032 640170657 /nfs/dbraw/zinc/17/06/57/640170657.db2.gz DLSNDPIIHSHDOP-CYBMUJFWSA-N 2 0 242.407 1.810 20 0 BDADRP C[C@H](CC[NH+](C)C)N[C@@H](C)c1ccnnc1 ZINC000924853574 640288277 /nfs/dbraw/zinc/28/82/77/640288277.db2.gz PHSDWWNQPVQJHE-MNOVXSKESA-N 2 0 222.336 1.467 20 0 BDADRP CC[C@H](CO)[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000931685064 640314928 /nfs/dbraw/zinc/31/49/28/640314928.db2.gz YICZWJQSWCUVPH-CHWSQXEVSA-N 2 0 249.358 1.363 20 0 BDADRP CO[C@@H]1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2CN(C)CC3)C1 ZINC000931719621 640334472 /nfs/dbraw/zinc/33/44/72/640334472.db2.gz WJFUOLYMRPYCEJ-YIYPIFLZSA-N 2 0 238.375 1.722 20 0 BDADRP C[C@H]([NH2+]CCCC[NH+](C)C)C(C)(C)CO ZINC000924856803 640360521 /nfs/dbraw/zinc/36/05/21/640360521.db2.gz YECRMLXXVWLJSY-NSHDSACASA-N 2 0 216.369 1.325 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C/C=C/Cl)C[C@@H]21 ZINC000164394448 640473898 /nfs/dbraw/zinc/47/38/98/640473898.db2.gz YBIGQAITPGRAMU-WQIRFENWSA-N 2 0 214.740 1.798 20 0 BDADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccno1 ZINC000226441370 640765267 /nfs/dbraw/zinc/76/52/67/640765267.db2.gz OSMHFUXFXLYQEW-FGWVZKOKSA-N 2 0 221.304 1.519 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC000226677871 640788784 /nfs/dbraw/zinc/78/87/84/640788784.db2.gz WJHQODOVYKYTOF-DZGCQCFKSA-N 2 0 248.370 1.651 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](C/C=C\c2ccccc2)C1 ZINC000226979948 640807911 /nfs/dbraw/zinc/80/79/11/640807911.db2.gz WKJOTVVNGGDGPP-ZBKLQPJUSA-N 2 0 216.328 1.980 20 0 BDADRP C[N@@H+]1CCC[C@@H]2CN(C[C@@H]3CCC[NH2+]3)CC[C@H]21 ZINC000227337187 640829183 /nfs/dbraw/zinc/82/91/83/640829183.db2.gz CBTMESAILZACTP-HZSPNIEDSA-N 2 0 237.391 1.155 20 0 BDADRP Cn1cc(CC[N@@H+]2CCCC[C@@H]2CC[NH3+])cn1 ZINC000230774787 641094076 /nfs/dbraw/zinc/09/40/76/641094076.db2.gz JGUCMUSYDYETLN-CYBMUJFWSA-N 2 0 236.363 1.166 20 0 BDADRP C[C@@]1(C[NH2+]C[C@H]2CCCCO2)CCC[NH2+]C1 ZINC000062862864 641102011 /nfs/dbraw/zinc/10/20/11/641102011.db2.gz LTTXGWPKMBSDAC-CHWSQXEVSA-N 2 0 226.364 1.535 20 0 BDADRP COC(=O)[C@H](C)C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000063121066 641134781 /nfs/dbraw/zinc/13/47/81/641134781.db2.gz PNHMSFACWKJNIA-LLVKDONJSA-N 2 0 242.363 1.069 20 0 BDADRP C[C@H](C[NH2+][C@H]1COCC1(C)C)C[NH+](C)C ZINC000312991152 641173292 /nfs/dbraw/zinc/17/32/92/641173292.db2.gz CRDTTXWVFQHORN-MNOVXSKESA-N 2 0 214.353 1.199 20 0 BDADRP C[C@@H]([NH2+]Cc1ccon1)C1CC[NH+](C)CC1 ZINC000088052602 641281251 /nfs/dbraw/zinc/28/12/51/641281251.db2.gz YUTJCDLQRXXPQL-SNVBAGLBSA-N 2 0 223.320 1.495 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@H]1C[NH3+])c1ccccn1 ZINC000088169758 641320141 /nfs/dbraw/zinc/32/01/41/641320141.db2.gz XBYSUYRFLGCEPR-GMXVVIOVSA-N 2 0 219.332 1.860 20 0 BDADRP CCCCCC[C@H](O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000759342136 641421108 /nfs/dbraw/zinc/42/11/08/641421108.db2.gz LTHQCPPZAPFUHO-MJBXVCDLSA-N 2 0 240.391 1.469 20 0 BDADRP CC1CC[NH+](CCN[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089150328 641476937 /nfs/dbraw/zinc/47/69/37/641476937.db2.gz RATBHAAOKKUAFI-KBPBESRZSA-N 2 0 239.407 1.435 20 0 BDADRP CCCN(CC[NH+](C)C)C(=O)CCCCC[NH3+] ZINC000041680250 641545821 /nfs/dbraw/zinc/54/58/21/641545821.db2.gz RGQZFPZNUHJIIX-UHFFFAOYSA-N 2 0 243.395 1.306 20 0 BDADRP CC[N@H+](CCNC(=O)CCCCC[NH3+])C1CC1 ZINC000155641901 641577091 /nfs/dbraw/zinc/57/70/91/641577091.db2.gz CRAJPUMVJIJETN-UHFFFAOYSA-N 2 0 241.379 1.106 20 0 BDADRP CC(C)OCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000158922616 641658369 /nfs/dbraw/zinc/65/83/69/641658369.db2.gz BKYRMIKDCGFRRC-RYUDHWBXSA-N 2 0 214.353 1.519 20 0 BDADRP Cc1cc(NC[C@@H]2CC[N@@H+](C(C)C)C2)nc(N)[nH+]1 ZINC000049390771 641717422 /nfs/dbraw/zinc/71/74/22/641717422.db2.gz PSGNQFLBBHTNJO-NSHDSACASA-N 2 0 249.362 1.509 20 0 BDADRP CC[NH+](CC)[C@@H](C)CNc1cc(C)[nH+]c(N)n1 ZINC000917062811 642000223 /nfs/dbraw/zinc/00/02/23/642000223.db2.gz PUQZTGUUPSLZKC-JTQLQIEISA-N 2 0 237.351 1.509 20 0 BDADRP C[N@H+](CC1CC[NH+](C)CC1)C[C@@H]1CCCCO1 ZINC000154750035 642223197 /nfs/dbraw/zinc/22/31/97/642223197.db2.gz YNICHUCADAMHMV-AWEZNQCLSA-N 2 0 240.391 1.829 20 0 BDADRP CCC[N@H+](CC1CC1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000233033334 642646035 /nfs/dbraw/zinc/64/60/35/642646035.db2.gz YOFWXXXLTIPVQT-YPMHNXCESA-N 2 0 210.365 1.964 20 0 BDADRP CC1(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])CCOCC1 ZINC000233029221 642646468 /nfs/dbraw/zinc/64/64/68/642646468.db2.gz LTGBCOGHUGUHTB-NEPJUHHUSA-N 2 0 226.364 1.520 20 0 BDADRP CC[NH+](CC)[C@@H]1CCN(C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000233454370 642670221 /nfs/dbraw/zinc/67/02/21/642670221.db2.gz JLQXAVGVKBXMFY-HZSPNIEDSA-N 2 0 239.407 1.258 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C1(C)C ZINC000233785876 642694789 /nfs/dbraw/zinc/69/47/89/642694789.db2.gz DVASKOAQVMRTBF-JHJVBQTASA-N 2 0 240.391 1.779 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CCOC1)C[NH+]1CCCCC1 ZINC000070968035 643399639 /nfs/dbraw/zinc/39/96/39/643399639.db2.gz IPNRMISSQDRMIW-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP CCC[N@H+](CC)CCNC(=[NH2+])NCCC(C)C ZINC000083052918 643403514 /nfs/dbraw/zinc/40/35/14/643403514.db2.gz CXSISMGODRAKQJ-UHFFFAOYSA-N 2 0 242.411 1.669 20 0 BDADRP COCC[N@H+](CCC[NH2+]C1CC1)CC(C)C ZINC000042370638 643506810 /nfs/dbraw/zinc/50/68/10/643506810.db2.gz HIVJKEQLFHNPMJ-UHFFFAOYSA-N 2 0 228.380 1.733 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccn1 ZINC000084215628 643650355 /nfs/dbraw/zinc/65/03/55/643650355.db2.gz ZRLBCFWHDNBUSD-YPMHNXCESA-N 2 0 219.332 1.689 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccsc1 ZINC000084221816 643651181 /nfs/dbraw/zinc/65/11/81/643651181.db2.gz BMEHSTKLWRZWMZ-MNOVXSKESA-N 2 0 210.346 1.965 20 0 BDADRP C1=CO[C@@H](C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000050269142 643672606 /nfs/dbraw/zinc/67/26/06/643672606.db2.gz IZELUJRURDIXCP-TZMCWYRMSA-N 2 0 236.359 1.753 20 0 BDADRP C1=CO[C@@H](C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000050269140 643673299 /nfs/dbraw/zinc/67/32/99/643673299.db2.gz IZELUJRURDIXCP-GXTWGEPZSA-N 2 0 236.359 1.753 20 0 BDADRP C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C[C@@H]1CCCO1 ZINC000085015112 643678843 /nfs/dbraw/zinc/67/88/43/643678843.db2.gz QIYPIIQYQCYPKW-WOPDTQHZSA-N 2 0 212.337 1.225 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cncs3)C[C@@H]21 ZINC000230126242 643767779 /nfs/dbraw/zinc/76/77/79/643767779.db2.gz SSFLHKJCCXDLLQ-ADEWGFFLSA-N 2 0 237.372 1.702 20 0 BDADRP c1cncc(CCC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000929311365 644066232 /nfs/dbraw/zinc/06/62/32/644066232.db2.gz CFRGRFCYNABADN-KBPBESRZSA-N 2 0 231.343 1.165 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000922819518 644108239 /nfs/dbraw/zinc/10/82/39/644108239.db2.gz XXYNZIAHLGYDSN-STQMWFEESA-N 2 0 242.407 2.000 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCCCCCC1 ZINC000321708940 644153415 /nfs/dbraw/zinc/15/34/15/644153415.db2.gz CTPQUVYAYWQQLK-CQSZACIVSA-N 2 0 242.407 1.955 20 0 BDADRP CCCCCC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000923281916 644314415 /nfs/dbraw/zinc/31/44/15/644314415.db2.gz JJEZVCWWSNXJMG-KBPBESRZSA-N 2 0 242.407 1.988 20 0 BDADRP C[C@H]1CCCN(CCC[NH2+]C2CC2)[C@H]1C[NH3+] ZINC000923290244 644323238 /nfs/dbraw/zinc/32/32/38/644323238.db2.gz WQRYJQQTPPCWJJ-AAEUAGOBSA-N 2 0 225.380 1.188 20 0 BDADRP Cc1ccc([C@@H](O)C[N@H+](C)CCC[NH3+])cc1 ZINC000923290110 644324452 /nfs/dbraw/zinc/32/44/52/644324452.db2.gz BOYZUKNUBWISJG-ZDUSSCGKSA-N 2 0 222.332 1.309 20 0 BDADRP C[C@@H]1CCC[C@H](C)[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923299981 644326567 /nfs/dbraw/zinc/32/65/67/644326567.db2.gz KMUILTYWRCTQLR-FRRDWIJNSA-N 2 0 238.375 1.628 20 0 BDADRP CC(C)OCC[C@@H](O)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000923297065 644334462 /nfs/dbraw/zinc/33/44/62/644334462.db2.gz XJZVKTRPDDXQBE-CHWSQXEVSA-N 2 0 246.395 1.125 20 0 BDADRP CCOCC[C@@H](O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000923296256 644335864 /nfs/dbraw/zinc/33/58/64/644335864.db2.gz DPGSWWHIONYWAR-CHWSQXEVSA-N 2 0 246.395 1.079 20 0 BDADRP CCCC[N@H+](CC)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923298690 644336871 /nfs/dbraw/zinc/33/68/71/644336871.db2.gz DSLNGLUZLPDASN-GFCCVEGCSA-N 2 0 226.364 1.487 20 0 BDADRP CCC[C@H](C)[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923307828 644337116 /nfs/dbraw/zinc/33/71/16/644337116.db2.gz WXMVJERVKQJWGU-NWDGAFQWSA-N 2 0 226.364 1.485 20 0 BDADRP C[N@H+](CC1CCCC1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923308267 644337996 /nfs/dbraw/zinc/33/79/96/644337996.db2.gz AXKPGAXIHZRJQV-ZDUSSCGKSA-N 2 0 238.375 1.487 20 0 BDADRP CCC[C@@H](C)[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923307827 644338763 /nfs/dbraw/zinc/33/87/63/644338763.db2.gz WXMVJERVKQJWGU-NEPJUHHUSA-N 2 0 226.364 1.485 20 0 BDADRP C[N@H+](CCC[NH2+]C1CC1)CCC1CCOCC1 ZINC000923313332 644341070 /nfs/dbraw/zinc/34/10/70/644341070.db2.gz FIQYXOKENUBUBB-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP CN(CCC[NH2+]C1CC1)Cc1cccc(O)c1 ZINC000923303477 644341468 /nfs/dbraw/zinc/34/14/68/644341468.db2.gz CXULKHTWQOIRCT-UHFFFAOYSA-N 2 0 234.343 1.966 20 0 BDADRP CC(C)CC[C@H](O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000923330976 644348511 /nfs/dbraw/zinc/34/85/11/644348511.db2.gz DXVNKDXALYSJOP-XDQVBPFNSA-N 2 0 240.391 1.453 20 0 BDADRP CC(C)CC[C@H](O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000923330972 644349190 /nfs/dbraw/zinc/34/91/90/644349190.db2.gz DXVNKDXALYSJOP-FQUUOJAGSA-N 2 0 240.391 1.453 20 0 BDADRP CC(C)CC[C@H](O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000923330974 644350537 /nfs/dbraw/zinc/35/05/37/644350537.db2.gz DXVNKDXALYSJOP-IGQOVBAYSA-N 2 0 240.391 1.453 20 0 BDADRP C[C@H]1C[C@@H](N(C)CCC[NH2+]C2CC2)CC[N@@H+]1C ZINC000923324340 644351740 /nfs/dbraw/zinc/35/17/40/644351740.db2.gz FKXSEZODCNLUIZ-JSGCOSHPSA-N 2 0 239.407 1.543 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923350081 644361952 /nfs/dbraw/zinc/36/19/52/644361952.db2.gz ZQJQOPHFHHNUMD-LBPRGKRZSA-N 3 0 225.380 1.189 20 0 BDADRP CCOCCOCC[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000923346451 644364718 /nfs/dbraw/zinc/36/47/18/644364718.db2.gz XZPOOYSZNRGUBX-OLZOCXBDSA-N 2 0 244.379 1.099 20 0 BDADRP CC[C@@H](NC(C[NH3+])C[NH3+])c1ccc(F)cc1F ZINC000923352306 644368807 /nfs/dbraw/zinc/36/88/07/644368807.db2.gz ULFIVVOZTBSVQB-GFCCVEGCSA-N 2 0 243.301 1.292 20 0 BDADRP Cc1ccc([C@@H](O)C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000923355220 644371042 /nfs/dbraw/zinc/37/10/42/644371042.db2.gz HVGVPKSIQWIMPU-GJZGRUSLSA-N 2 0 248.370 1.699 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000923355806 644371644 /nfs/dbraw/zinc/37/16/44/644371644.db2.gz OGIAGOAKHYNXBF-HUUCEWRRSA-N 2 0 248.370 1.261 20 0 BDADRP C[N@H+](C[C@H](O)CCc1ccccc1)C1CC([NH3+])C1 ZINC000923361637 644386468 /nfs/dbraw/zinc/38/64/68/644386468.db2.gz JLCOTGSFWGHCHO-YMAMQOFZSA-N 2 0 248.370 1.402 20 0 BDADRP CC[C@H](O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000923363142 644389444 /nfs/dbraw/zinc/38/94/44/644389444.db2.gz VIMJZSKCPQZKTR-UPJWGTAASA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H]1CCN(CCC[NH2+]C2CC2)C[C@@H]1C[NH3+] ZINC000923374798 644389525 /nfs/dbraw/zinc/38/95/25/644389525.db2.gz CHZLZVITOFQBQQ-NEPJUHHUSA-N 2 0 225.380 1.045 20 0 BDADRP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923376935 644392007 /nfs/dbraw/zinc/39/20/07/644392007.db2.gz PKCLNWAESNVKAK-IMIFBBOLSA-N 2 0 234.343 1.496 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@H]([NH3+])C[C@@H]2O)[C@H](C)C1 ZINC000923376360 644392601 /nfs/dbraw/zinc/39/26/01/644392601.db2.gz AHZIBVWUUCYXHF-QKFSQAGISA-N 2 0 226.364 1.251 20 0 BDADRP Cc1ccc([C@H](O)C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000923380723 644394404 /nfs/dbraw/zinc/39/44/04/644394404.db2.gz CQWCVMMTZRTYQL-RBSFLKMASA-N 2 0 248.370 1.888 20 0 BDADRP C[C@]12C[NH2+]C[C@@]1(C)CN(CCC[NH2+]C1CC1)C2 ZINC000923408563 644410538 /nfs/dbraw/zinc/41/05/38/644410538.db2.gz BCHUTTQXRAFLDY-OKILXGFUSA-N 2 0 237.391 1.060 20 0 BDADRP C[C@H]([NH3+])C[N@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923408888 644411525 /nfs/dbraw/zinc/41/15/25/644411525.db2.gz INMQWKDIRDUPFT-WODVXLOZSA-N 3 0 225.380 1.186 20 0 BDADRP C[C@@H]1CCC(C)(C)[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923423206 644420623 /nfs/dbraw/zinc/42/06/23/644420623.db2.gz WBHRPDSBGLVKRQ-NEPJUHHUSA-N 2 0 238.375 1.628 20 0 BDADRP CC[C@H](O)C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000923428694 644421104 /nfs/dbraw/zinc/42/11/04/644421104.db2.gz QGWOPYODMRKVCZ-QWHCGFSZSA-N 2 0 226.364 1.223 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](CCCc2ccncc2)C1 ZINC000923482392 644460258 /nfs/dbraw/zinc/46/02/58/644460258.db2.gz ZKFMZOUGQXIPHR-CQSZACIVSA-N 2 0 233.359 1.685 20 0 BDADRP Cc1ccc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)nc1 ZINC000923495536 644461059 /nfs/dbraw/zinc/46/10/59/644461059.db2.gz BZFJDAHFQANYCJ-CHWSQXEVSA-N 2 0 233.359 1.807 20 0 BDADRP CCc1nocc1C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923495162 644461188 /nfs/dbraw/zinc/46/11/88/644461188.db2.gz UQSFFYIFNFYUEG-MNOVXSKESA-N 2 0 237.347 1.654 20 0 BDADRP Nc1cccc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)c1 ZINC000923485469 644461746 /nfs/dbraw/zinc/46/17/46/644461746.db2.gz SBYZGFIUSHCZFX-LLVKDONJSA-N 2 0 219.332 1.440 20 0 BDADRP COCCCCC[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923495703 644462034 /nfs/dbraw/zinc/46/20/34/644462034.db2.gz FCWSKFVIZOZFCW-OLZOCXBDSA-N 2 0 228.380 1.720 20 0 BDADRP CCOC(=O)CCCC[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923484838 644462644 /nfs/dbraw/zinc/46/26/44/644462644.db2.gz OJNHPELYUOSTQX-GFCCVEGCSA-N 2 0 242.363 1.391 20 0 BDADRP Cc1csc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000923496270 644463270 /nfs/dbraw/zinc/46/32/70/644463270.db2.gz GZFRICQRBJSPEQ-KOLCDFICSA-N 2 0 239.388 1.868 20 0 BDADRP COC(=O)CCCC[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923490687 644464695 /nfs/dbraw/zinc/46/46/95/644464695.db2.gz OQKOZSFCUVXNQP-VXGBXAGGSA-N 2 0 242.363 1.246 20 0 BDADRP C[C@H]1OCC[C@H]1C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923490962 644465453 /nfs/dbraw/zinc/46/54/53/644465453.db2.gz PJTLIJUBLWJQHB-LPWJVIDDSA-N 2 0 226.364 1.328 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)CC[C@@H]1C[NH3+] ZINC000923490072 644465494 /nfs/dbraw/zinc/46/54/94/644465494.db2.gz AQFHNNUCTBZRNV-BPLDGKMQSA-N 2 0 248.370 1.637 20 0 BDADRP Cc1nocc1C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923492926 644466982 /nfs/dbraw/zinc/46/69/82/644466982.db2.gz ZMMCLKNNUKLUJP-GXSJLCMTSA-N 2 0 223.320 1.400 20 0 BDADRP CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923491975 644468727 /nfs/dbraw/zinc/46/87/27/644468727.db2.gz LODROAWEJYRNKU-RNJOBUHISA-N 2 0 210.365 1.949 20 0 BDADRP Cc1ncccc1C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923493932 644469837 /nfs/dbraw/zinc/46/98/37/644469837.db2.gz JKESLHVMBBOWDW-YPMHNXCESA-N 2 0 233.359 1.807 20 0 BDADRP CCN(CC)C[C@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000086729641 644470539 /nfs/dbraw/zinc/47/05/39/644470539.db2.gz AOUVOMDMKBYDLQ-HIFPTAJRSA-N 2 0 227.396 1.576 20 0 BDADRP C[C@H]1C[N@H+](Cc2cccnc2)CC[C@H]1C[NH3+] ZINC000923501991 644471178 /nfs/dbraw/zinc/47/11/78/644471178.db2.gz VFHCPKDVZLWQPY-AAEUAGOBSA-N 2 0 219.332 1.498 20 0 BDADRP CO[C@@H](C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)C1CCC1 ZINC000923516233 644480732 /nfs/dbraw/zinc/48/07/32/644480732.db2.gz WEVXTSBAFMPSQU-MJBXVCDLSA-N 2 0 238.375 1.343 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923533390 644490423 /nfs/dbraw/zinc/49/04/23/644490423.db2.gz KTQCFXYRMHFLOE-ZIAGYGMSSA-N 2 0 237.391 1.204 20 0 BDADRP CN(CCC[NH2+]C1CC1)Cc1cccc(=O)[nH]1 ZINC000923552553 644494625 /nfs/dbraw/zinc/49/46/25/644494625.db2.gz DDAOCIPJNZIQNF-UHFFFAOYSA-N 2 0 235.331 1.361 20 0 BDADRP CCOCC[N@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000087977986 644506738 /nfs/dbraw/zinc/50/67/38/644506738.db2.gz JYASCLKCJUHNKJ-LBPRGKRZSA-N 2 0 214.353 1.344 20 0 BDADRP COc1cccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089149833 644536337 /nfs/dbraw/zinc/53/63/37/644536337.db2.gz QUBQNRYGLJNKQD-OCCSQVGLSA-N 2 0 234.343 1.912 20 0 BDADRP COCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000250162376 644748312 /nfs/dbraw/zinc/74/83/12/644748312.db2.gz FFWZXGRTPWKHJY-JHJVBQTASA-N 2 0 226.364 1.533 20 0 BDADRP CCN1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000250354580 644753718 /nfs/dbraw/zinc/75/37/18/644753718.db2.gz RXUXWUGHCRYSTH-IHRRRGAJSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@H](C)C[C@H]1C ZINC000252195233 644842883 /nfs/dbraw/zinc/84/28/83/644842883.db2.gz SGJUUVQIRBKANC-LPWJVIDDSA-N 2 0 210.365 1.962 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)CCCCCC[NH3+] ZINC000843506382 645293818 /nfs/dbraw/zinc/29/38/18/645293818.db2.gz YXUJIAGPYZZFKJ-QWRGUYRKSA-N 2 0 229.368 1.138 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000926616673 645317917 /nfs/dbraw/zinc/31/79/17/645317917.db2.gz KLHSRCQKMXIMKL-VDLCZYCISA-N 2 0 220.360 1.715 20 0 BDADRP c1[nH]nc2c1[C@H]([NH2+]CCC1CC[NH2+]CC1)CCC2 ZINC000844925535 645350147 /nfs/dbraw/zinc/35/01/47/645350147.db2.gz RAGIOCPWBQSKGJ-CYBMUJFWSA-N 2 0 248.374 1.766 20 0 BDADRP CC[C@@H](O)C[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000926701967 645367818 /nfs/dbraw/zinc/36/78/18/645367818.db2.gz NXSHAOXZDGHOPB-CQSZACIVSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CC[NH2+]C23CCC3)CCOC1 ZINC000925486348 645443143 /nfs/dbraw/zinc/44/31/43/645443143.db2.gz HEMFZXKLVKJQAR-VXGBXAGGSA-N 2 0 224.348 1.287 20 0 BDADRP C[C@H]1CCC[N@H+](CCOC(F)F)[C@H]1CC[NH3+] ZINC000852753651 645488244 /nfs/dbraw/zinc/48/82/44/645488244.db2.gz PXGDLKNLCYGIPX-UWVGGRQHSA-N 2 0 236.306 1.675 20 0 BDADRP CCOCCC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925487887 645496305 /nfs/dbraw/zinc/49/63/05/645496305.db2.gz HBMOEBLGATUSML-RYUDHWBXSA-N 2 0 228.380 1.909 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000927015019 645514644 /nfs/dbraw/zinc/51/46/44/645514644.db2.gz DUMZDDXJBXTDAS-UBHSHLNASA-N 2 0 240.391 1.610 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@]1(C)CCOC1 ZINC000925488734 645520637 /nfs/dbraw/zinc/52/06/37/645520637.db2.gz VOUBUOMWWIEFRR-ZYHUDNBSSA-N 2 0 212.337 1.143 20 0 BDADRP CCC[C@@H](O)CC[NH2+]C1CC[NH+](CC)CC1 ZINC000927031104 645528461 /nfs/dbraw/zinc/52/84/61/645528461.db2.gz YTMFFYXMOPRLDW-CYBMUJFWSA-N 2 0 228.380 1.611 20 0 BDADRP COc1ccc(CC[N@@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000011891377 645651829 /nfs/dbraw/zinc/65/18/29/645651829.db2.gz UJKZQQAKTDPEPC-CYBMUJFWSA-N 2 0 234.343 1.518 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCn1ccnc1 ZINC000925494554 645751718 /nfs/dbraw/zinc/75/17/18/645751718.db2.gz PTCVGHVEFVJWIO-VTXSZYRJSA-N 2 0 248.374 1.379 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1ccccn1 ZINC000924534916 646052256 /nfs/dbraw/zinc/05/22/56/646052256.db2.gz JEMKBEPHHBXHDS-NNQSOWQGSA-N 2 0 245.370 1.554 20 0 BDADRP CC[C@@H](CO)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000929275586 646053998 /nfs/dbraw/zinc/05/39/98/646053998.db2.gz KDBBMTXBEFGECG-AWEZNQCLSA-N 2 0 240.391 1.565 20 0 BDADRP CC(C)[C@H]1COCC[C@@H]1[NH2+]CCC[NH+](C)C ZINC000924537933 646058286 /nfs/dbraw/zinc/05/82/86/646058286.db2.gz CXTZVJRMBRAOPO-OLZOCXBDSA-N 2 0 228.380 1.589 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCCO1 ZINC000924541022 646061907 /nfs/dbraw/zinc/06/19/07/646061907.db2.gz AGSCJIWISZFGCM-DAAZQVBGSA-N 2 0 224.348 1.095 20 0 BDADRP C[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cnnn1C ZINC000924699187 646092687 /nfs/dbraw/zinc/09/26/87/646092687.db2.gz PXOCYZNERKJXQA-SDDRHHMPSA-N 2 0 249.362 1.093 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000924762399 646102900 /nfs/dbraw/zinc/10/29/00/646102900.db2.gz SUWPBRRXEGSCQD-IZXDZPFWSA-N 2 0 238.375 1.220 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)c2ncnn21 ZINC000924853109 646120104 /nfs/dbraw/zinc/12/01/04/646120104.db2.gz IKUXGGWAWWNFMA-GHMZBOCLSA-N 2 0 237.351 1.215 20 0 BDADRP C[C@@H]1COC[C@@H]1[NH2+]CCCCNc1ccccn1 ZINC000924927695 646135380 /nfs/dbraw/zinc/13/53/80/646135380.db2.gz QQWPIPBQLIQUHC-OLZOCXBDSA-N 2 0 249.358 1.898 20 0 BDADRP CC[C@@H](CO)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000929507246 646158953 /nfs/dbraw/zinc/15/89/53/646158953.db2.gz SJEMJSASMCMNFL-AWEZNQCLSA-N 2 0 242.407 1.810 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CC1(C)C ZINC000925392116 646255599 /nfs/dbraw/zinc/25/55/99/646255599.db2.gz CTVWMBKWEHBMHY-DAAZQVBGSA-N 2 0 222.376 1.962 20 0 BDADRP CC[N@@H+]1CC[C@@H](CN[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925478633 646292047 /nfs/dbraw/zinc/29/20/47/646292047.db2.gz VPEKHIXGOHNODF-QWHCGFSZSA-N 2 0 237.391 1.202 20 0 BDADRP CCC[C@H](O)C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925482530 646294891 /nfs/dbraw/zinc/29/48/91/646294891.db2.gz NEJFRQDQHDSJJL-UTUOFQBUSA-N 2 0 228.380 1.643 20 0 BDADRP CC1(C)[C@H]([NH2+]C2CCOCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925483694 646295572 /nfs/dbraw/zinc/29/55/72/646295572.db2.gz XFKRWFKKADQEQV-FRRDWIJNSA-N 2 0 238.375 1.532 20 0 BDADRP CN1CC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925486251 646296593 /nfs/dbraw/zinc/29/65/93/646296593.db2.gz GKSBYOUORKPXKW-SDDRHHMPSA-N 2 0 225.380 1.186 20 0 BDADRP C[C@H]([NH3+])[C@@H](N[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000925488930 646299362 /nfs/dbraw/zinc/29/93/62/646299362.db2.gz WJRCIFVWELWFGT-IACUBPJLSA-N 2 0 233.359 1.369 20 0 BDADRP C[C@H](CN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1)[NH+](C)C ZINC000925490378 646300422 /nfs/dbraw/zinc/30/04/22/646300422.db2.gz BCOWEVCLYDDMBI-GRYCIOLGSA-N 2 0 227.396 1.432 20 0 BDADRP C[C@@H](CN[C@@H]1CC[NH2+]C12CCC2)[N@H+](C)C1CC1 ZINC000925497344 646302043 /nfs/dbraw/zinc/30/20/43/646302043.db2.gz VCMQMJLSXLETAL-WCQYABFASA-N 2 0 237.391 1.343 20 0 BDADRP c1cn(CCC[NH2+][C@@H]2CC[NH2+]C23CCCC3)cn1 ZINC000925494076 646302175 /nfs/dbraw/zinc/30/21/75/646302175.db2.gz NBJVDYXKGFTCRU-CYBMUJFWSA-N 2 0 248.374 1.538 20 0 BDADRP COCCC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925497020 646302569 /nfs/dbraw/zinc/30/25/69/646302569.db2.gz ZMCAFSAPWIMMHU-QWRGUYRKSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@@H](O)CC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925499032 646304162 /nfs/dbraw/zinc/30/41/62/646304162.db2.gz LRSMJBRUWMAUNR-WISYIIOYSA-N 2 0 226.364 1.124 20 0 BDADRP O[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925505696 646305632 /nfs/dbraw/zinc/30/56/32/646305632.db2.gz UMLIIDAXAPJOAF-YNEHKIRRSA-N 2 0 238.375 1.554 20 0 BDADRP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](CC)CO)C1 ZINC000929777110 646305786 /nfs/dbraw/zinc/30/57/86/646305786.db2.gz AIENVEDEIDPKKG-QWHCGFSZSA-N 2 0 228.380 1.421 20 0 BDADRP CO[C@H](CN[C@H]1CCC[NH2+][C@H]1C)C(C)(C)C ZINC000925527486 646314467 /nfs/dbraw/zinc/31/44/67/646314467.db2.gz NTZFGEXHOJBQRU-SDDRHHMPSA-N 2 0 228.380 1.778 20 0 BDADRP C[C@H](CC[NH+](C)C)N[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925522449 646314839 /nfs/dbraw/zinc/31/48/39/646314839.db2.gz RRRAKUVVIINCDK-AGIUHOORSA-N 2 0 241.423 1.822 20 0 BDADRP CCC[N@H+](CC)CCN[C@H]1CC[NH2+]C1(C)C ZINC000925527905 646317563 /nfs/dbraw/zinc/31/75/63/646317563.db2.gz AXSREPSCFIZALH-LBPRGKRZSA-N 2 0 227.396 1.448 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2C[C@@H]([NH3+])C23CCC3)C[N@@H+]1C1CC1 ZINC000925544279 646323930 /nfs/dbraw/zinc/32/39/30/646323930.db2.gz ZBDDQGOTZYMHOB-ZMJPVWNMSA-N 2 0 249.402 1.471 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@H]1CC[NH2+]C1(C)C ZINC000925553424 646329472 /nfs/dbraw/zinc/32/94/72/646329472.db2.gz RHYXSSPCLPPLBQ-WXHSDQCUSA-N 2 0 237.391 1.199 20 0 BDADRP Cc1noc(C)c1CC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925556930 646334028 /nfs/dbraw/zinc/33/40/28/646334028.db2.gz NACBIUVQRWNJHH-OLZOCXBDSA-N 2 0 249.358 1.693 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H]2CCSC2)C1 ZINC000925575264 646341666 /nfs/dbraw/zinc/34/16/66/646341666.db2.gz YYIJJYKZSHDIOF-OUAUKWLOSA-N 2 0 228.405 1.988 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccco2)C12CCC2 ZINC000925605497 646357536 /nfs/dbraw/zinc/35/75/36/646357536.db2.gz GWLFWMWXTSDFCL-MVWJERBFSA-N 2 0 236.315 1.173 20 0 BDADRP CC[C@H](CO)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000929847192 646358492 /nfs/dbraw/zinc/35/84/92/646358492.db2.gz LUYRGRCWVXRWIU-YNEHKIRRSA-N 2 0 226.364 1.173 20 0 BDADRP C[C@@H]1CCC[N@@H+]1CCN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925623132 646369914 /nfs/dbraw/zinc/36/99/14/646369914.db2.gz OYOQWMIQXUICDC-UPJWGTAASA-N 2 0 237.391 1.330 20 0 BDADRP CC(C)[C@@H](CO)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925621838 646370611 /nfs/dbraw/zinc/37/06/11/646370611.db2.gz GZJUMIQQYIRCDE-GRYCIOLGSA-N 2 0 228.380 1.499 20 0 BDADRP C[C@@H](CO)CCC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925630313 646376825 /nfs/dbraw/zinc/37/68/25/646376825.db2.gz QZFDMJKINSDADZ-MNOVXSKESA-N 2 0 214.353 1.125 20 0 BDADRP CC[C@@H](CO)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925645654 646386181 /nfs/dbraw/zinc/38/61/81/646386181.db2.gz RUSAAYMNRXITPX-GARJFASQSA-N 2 0 214.353 1.253 20 0 BDADRP CC(C)OCC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925647279 646386563 /nfs/dbraw/zinc/38/65/63/646386563.db2.gz BJEWNSCEBQNJQL-NEPJUHHUSA-N 2 0 228.380 1.907 20 0 BDADRP CCC(O)(CC)CC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925650194 646390173 /nfs/dbraw/zinc/39/01/73/646390173.db2.gz RXNTVFVFORAOCM-RYUDHWBXSA-N 2 0 240.391 1.787 20 0 BDADRP CCC(O)(CC)CC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925650193 646390532 /nfs/dbraw/zinc/39/05/32/646390532.db2.gz RXNTVFVFORAOCM-NWDGAFQWSA-N 2 0 240.391 1.787 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOC2CC2)[C@@H](C)C1 ZINC000929998098 646390926 /nfs/dbraw/zinc/39/09/26/646390926.db2.gz BRKIODGYLBLTSR-GXTWGEPZSA-N 2 0 240.391 1.828 20 0 BDADRP OC1CC(CC[NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000925651671 646391539 /nfs/dbraw/zinc/39/15/39/646391539.db2.gz IYGXCMRLZRRHCU-MCIGGMRASA-N 2 0 224.348 1.022 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@H]1CCC[NH2+][C@@H]1C ZINC000925663342 646397806 /nfs/dbraw/zinc/39/78/06/646397806.db2.gz QMZZMTCLVKOQJP-UPJWGTAASA-N 2 0 227.396 1.447 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+][C@@H]2CCCOC2)C12CCC2 ZINC000925669509 646400346 /nfs/dbraw/zinc/40/03/46/646400346.db2.gz UWHFAFOSQSTVLJ-OUAUKWLOSA-N 2 0 210.321 1.025 20 0 BDADRP CCOCC(C)(C)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925668468 646400692 /nfs/dbraw/zinc/40/06/92/646400692.db2.gz HTTXXGOPSYJETF-LLVKDONJSA-N 2 0 228.380 1.779 20 0 BDADRP COCC1(C[NH2+][C@@H]2CC[NH2+]C2(C)C)CCCC1 ZINC000925688455 646408264 /nfs/dbraw/zinc/40/82/64/646408264.db2.gz CRYWOGZLBGSNHP-GFCCVEGCSA-N 2 0 240.391 1.923 20 0 BDADRP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)C(=O)NC ZINC000925686858 646413568 /nfs/dbraw/zinc/41/35/68/646413568.db2.gz YRMQCLRMMOUQRV-AXFHLTTASA-N 2 0 241.379 1.007 20 0 BDADRP C([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@@H]1C[C@H]1C1CC1 ZINC000925688597 646414781 /nfs/dbraw/zinc/41/47/81/646414781.db2.gz FFPJAXGXGKRPED-RWMBFGLXSA-N 2 0 220.360 1.907 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1NC[C@H]([NH3+])c1ccccc1 ZINC000925690972 646416186 /nfs/dbraw/zinc/41/61/86/646416186.db2.gz IHSZMEFDOLPTTG-FPMFFAJLSA-N 2 0 233.359 1.417 20 0 BDADRP CC[NH2+]CCCN[C@H]1CC[NH2+]C12CCCC2 ZINC000925690518 646417000 /nfs/dbraw/zinc/41/70/00/646417000.db2.gz KDLYGDIPIHKQEW-LBPRGKRZSA-N 2 0 225.380 1.250 20 0 BDADRP CC1(C)C[C@@H](NC[C@H]2CCC[NH2+]C2)C[C@@H]([NH3+])C1 ZINC000925691090 646417226 /nfs/dbraw/zinc/41/72/26/646417226.db2.gz IJTYDZBFTCMEJE-XQQFMLRXSA-N 2 0 239.407 1.482 20 0 BDADRP CC(C)[C@@H]([NH3+])CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925691613 646418350 /nfs/dbraw/zinc/41/83/50/646418350.db2.gz IWZLNNQERVPYAF-MROQNXINSA-N 2 0 239.407 1.336 20 0 BDADRP C[C@H]([NH3+])[C@@H](N[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000925691908 646418380 /nfs/dbraw/zinc/41/83/80/646418380.db2.gz NJUMBLDPBFECGZ-FPMFFAJLSA-N 2 0 233.359 1.417 20 0 BDADRP CC1(C)C[C@@H](NC[C@@H]2CCCC[NH2+]2)C[C@@H]([NH3+])C1 ZINC000925692538 646418612 /nfs/dbraw/zinc/41/86/12/646418612.db2.gz MIGRCXQANPQBIP-AGIUHOORSA-N 2 0 239.407 1.624 20 0 BDADRP C[C@@H]([NH3+])CCN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925695736 646421221 /nfs/dbraw/zinc/42/12/21/646421221.db2.gz WIFVILUHZOHZCC-WYUUTHIRSA-N 2 0 225.380 1.090 20 0 BDADRP CC(C)[NH2+]CCCN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925695742 646421556 /nfs/dbraw/zinc/42/15/56/646421556.db2.gz WJZFHJYNZWASFM-VXGBXAGGSA-N 2 0 225.380 1.234 20 0 BDADRP CC(C)C[C@@H](C[NH3+])N[C@@H]1CC[NH2+]C12CCC2 ZINC000925696255 646422086 /nfs/dbraw/zinc/42/20/86/646422086.db2.gz YNQKPVZAVDCXRL-NWDGAFQWSA-N 2 0 225.380 1.234 20 0 BDADRP CC1(C)C[C@@H]([NH2+]CCC2(CO)CC2)C[C@@H]([NH3+])C1 ZINC000925696482 646422301 /nfs/dbraw/zinc/42/23/01/646422301.db2.gz XMKYBFOTIHHPLP-NEPJUHHUSA-N 2 0 240.391 1.645 20 0 BDADRP C[C@H](C[NH3+])CN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925697684 646423128 /nfs/dbraw/zinc/42/31/28/646423128.db2.gz HJOHUINQKBAGQL-BNOWGMLFSA-N 3 0 239.407 1.339 20 0 BDADRP C[C@H]1NCCC[C@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000925699896 646423581 /nfs/dbraw/zinc/42/35/81/646423581.db2.gz LVLNDXBKFYQXQT-AAVRWANBSA-N 2 0 239.407 1.482 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@@H]1CCC[C@H]([NH3+])C1)[NH2+]2 ZINC000925699939 646423931 /nfs/dbraw/zinc/42/39/31/646423931.db2.gz MFYJUDCLQNKWHL-WZBKEBKWSA-N 2 0 237.391 1.375 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@H](N[C@@H]2CCC[NH2+]C2)C1 ZINC000925700899 646424945 /nfs/dbraw/zinc/42/49/45/646424945.db2.gz TXYFULPJSWCELC-TUAOUCFPSA-N 2 0 225.380 1.234 20 0 BDADRP [NH3+]C[C@H](N[C@@H]1C[C@H]([NH3+])C12CCC2)C1CCCC1 ZINC000925702486 646426535 /nfs/dbraw/zinc/42/65/35/646426535.db2.gz AOAGLYGMWJXAAD-RWMBFGLXSA-N 2 0 237.391 1.363 20 0 BDADRP CC1(C)C[C@@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)C[C@@H]([NH3+])C1 ZINC000925703741 646428765 /nfs/dbraw/zinc/42/87/65/646428765.db2.gz FLNBBROWZLGLOD-LOWDOPEQSA-N 3 0 239.407 1.609 20 0 BDADRP [NH3+]CCC[C@@H]([NH2+]C/C=C/CO)c1ccccc1 ZINC000925705099 646429380 /nfs/dbraw/zinc/42/93/80/646429380.db2.gz JJLJLOBMHVQYHC-ISZGNANSSA-N 2 0 234.343 1.605 20 0 BDADRP [NH3+]C1(CN[C@H]2CC[NH2+]C23CCCC3)CCCC1 ZINC000925708913 646432263 /nfs/dbraw/zinc/43/22/63/646432263.db2.gz DYZUWOWMEFZJPR-LBPRGKRZSA-N 2 0 237.391 1.522 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCCCCC[NH3+] ZINC000925707222 646432967 /nfs/dbraw/zinc/43/29/67/646432967.db2.gz DJHVOFSSFDLLJK-NSHDSACASA-N 3 0 213.369 1.236 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]C[C@@H]2CCCO2)C1 ZINC000925710992 646436088 /nfs/dbraw/zinc/43/60/88/646436088.db2.gz YPEBMWJGZCCREE-TUAOUCFPSA-N 2 0 226.364 1.661 20 0 BDADRP COCC1(CC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925711230 646436188 /nfs/dbraw/zinc/43/61/88/646436188.db2.gz XLXNGESXZHPYRV-VXGBXAGGSA-N 2 0 238.375 1.663 20 0 BDADRP C[C@@H]1CC[C@H](N[C@H]2C[C@H]([NH3+])CC(C)(C)C2)C[NH2+]1 ZINC000925717068 646441182 /nfs/dbraw/zinc/44/11/82/646441182.db2.gz IJDZANJIEYRFSL-VOAKCMCISA-N 2 0 239.407 1.623 20 0 BDADRP C[C@@H](Cc1cnccn1)[NH2+]CCC(C)(C)[NH3+] ZINC000925738626 646460487 /nfs/dbraw/zinc/46/04/87/646460487.db2.gz RHPKPMWOHIJCNY-JTQLQIEISA-N 2 0 222.336 1.125 20 0 BDADRP Cc1cc([C@H](C)NCCC(C)(C)[NH3+])no1 ZINC000925737735 646461219 /nfs/dbraw/zinc/46/12/19/646461219.db2.gz KJMQWXQDCBAGJJ-VIFPVBQESA-N 2 0 211.309 1.761 20 0 BDADRP COCC[C@@H]1CCC[C@H]1[NH2+]CCC(C)(C)[NH3+] ZINC000925739178 646461863 /nfs/dbraw/zinc/46/18/63/646461863.db2.gz UQBKAZZHBZFGER-NWDGAFQWSA-N 2 0 228.380 1.909 20 0 BDADRP CCC1([NH3+])CCN([C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000925755322 646464899 /nfs/dbraw/zinc/46/48/99/646464899.db2.gz DLRUIPLCCWXFNJ-NEPJUHHUSA-N 2 0 225.380 1.140 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[N@@H+]1CCOc2ccc(N)cc2C1 ZINC000925756737 646465304 /nfs/dbraw/zinc/46/53/04/646465304.db2.gz YIUDRPANBAHXMV-MNOVXSKESA-N 2 0 249.358 1.589 20 0 BDADRP CCC1([NH3+])CCN([C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000925759838 646465932 /nfs/dbraw/zinc/46/59/32/646465932.db2.gz IDMUIILRHDPKPE-NWDGAFQWSA-N 2 0 225.380 1.317 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1CCCO1 ZINC000925781584 646477105 /nfs/dbraw/zinc/47/71/05/646477105.db2.gz IPJUMMLGFYJGSW-DCAQKATOSA-N 2 0 248.317 1.388 20 0 BDADRP C[C@H]1[C@H](C)[N@H+](C)CCN1C[C@H]1CCC[NH+]1C ZINC000930178375 646480341 /nfs/dbraw/zinc/48/03/41/646480341.db2.gz XIVZMWRSPDPRRD-RWMBFGLXSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCC[C@H]1CCF ZINC000925785258 646481165 /nfs/dbraw/zinc/48/11/65/646481165.db2.gz MIEYUBUNUDERMA-VOAKCMCISA-N 2 0 228.355 1.960 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000925787813 646483324 /nfs/dbraw/zinc/48/33/24/646483324.db2.gz VCNRFMDNKDBWLA-BAESOJJISA-N 2 0 245.370 1.576 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1nccn1C ZINC000925796048 646487449 /nfs/dbraw/zinc/48/74/49/646487449.db2.gz JRTDSSIESWXKJW-GRYCIOLGSA-N 2 0 236.363 1.316 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CCCO1 ZINC000925797447 646487594 /nfs/dbraw/zinc/48/75/94/646487594.db2.gz NZSKORXXYSVBNQ-YVECIDJPSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NCc1cc(N(C)C)cc[nH+]1 ZINC000925813487 646490712 /nfs/dbraw/zinc/49/07/12/646490712.db2.gz TZNNRAVCJGHRKF-WDEREUQCSA-N 2 0 236.363 1.363 20 0 BDADRP CN(C)c1cc[nH+]c(CN[C@@H]2CC[NH2+]C2(C)C)c1 ZINC000925815713 646492360 /nfs/dbraw/zinc/49/23/60/646492360.db2.gz YSVVLMAVYHMHOG-CYBMUJFWSA-N 2 0 248.374 1.378 20 0 BDADRP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000925824890 646498394 /nfs/dbraw/zinc/49/83/94/646498394.db2.gz VZPJHHLHLKIFLX-NNXIMAFASA-N 2 0 208.349 1.890 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)C1 ZINC000925832200 646500764 /nfs/dbraw/zinc/50/07/64/646500764.db2.gz RHLJOSNBAREITP-VJTDZRGJSA-N 2 0 236.359 1.437 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000925830874 646501348 /nfs/dbraw/zinc/50/13/48/646501348.db2.gz IDTZKWNWTHDCCU-OUCADQQQSA-N 2 0 238.375 1.676 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)C12CCC2 ZINC000925830628 646501461 /nfs/dbraw/zinc/50/14/61/646501461.db2.gz JTLJIVAVSHTYLE-MEBFFEOJSA-N 2 0 248.370 1.437 20 0 BDADRP c1ccc2c(c1)CCN2CC[NH2+]C1CC[NH2+]CC1 ZINC000925836223 646504077 /nfs/dbraw/zinc/50/40/77/646504077.db2.gz IZRNKEUQLRAWBO-UHFFFAOYSA-N 2 0 245.370 1.391 20 0 BDADRP [NH3+][C@H]1CCC[C@H](NC[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC000925837865 646504557 /nfs/dbraw/zinc/50/45/57/646504557.db2.gz INQYGXPVAWFFPJ-IGQOVBAYSA-N 2 0 237.391 1.378 20 0 BDADRP C[C@@H](NC[C@]12CCC[C@H]1[NH2+]CC2)[C@H]1CCC[NH2+]1 ZINC000925837848 646505091 /nfs/dbraw/zinc/50/50/91/646505091.db2.gz IKFGIDHBEODRQL-AAVRWANBSA-N 2 0 237.391 1.249 20 0 BDADRP CCOC[C@@H](C)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925840898 646506678 /nfs/dbraw/zinc/50/66/78/646506678.db2.gz DELKGVBNRGFOGD-JHJVBQTASA-N 2 0 226.364 1.533 20 0 BDADRP CC[C@H](C)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925850709 646510018 /nfs/dbraw/zinc/51/00/18/646510018.db2.gz VZHCZLVVWVTEIK-ZDUSSCGKSA-N 2 0 227.396 1.450 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000925856599 646511680 /nfs/dbraw/zinc/51/16/80/646511680.db2.gz JYNCOYQCSDMFRG-RWMBFGLXSA-N 2 0 228.380 1.787 20 0 BDADRP CCOCCOCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000925875326 646526392 /nfs/dbraw/zinc/52/63/92/646526392.db2.gz QUSYGKUAOXXFJO-QWHCGFSZSA-N 2 0 244.379 1.017 20 0 BDADRP COC[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)C(C)C ZINC000925876492 646527873 /nfs/dbraw/zinc/52/78/73/646527873.db2.gz ZQGGPHGGWVDKCG-WOPDTQHZSA-N 2 0 214.353 1.374 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cscn1 ZINC000925881778 646531023 /nfs/dbraw/zinc/53/10/23/646531023.db2.gz GJSRVJRXWXKSLD-BBBLOLIVSA-N 2 0 225.361 1.921 20 0 BDADRP CC1(C)[C@@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)[C@@H]2CCO[C@@H]21 ZINC000925881172 646531702 /nfs/dbraw/zinc/53/17/02/646531702.db2.gz YMICIVKYWWBVEJ-MOLYVOAJSA-N 2 0 238.375 1.517 20 0 BDADRP CCN1C[C@H](C)[C@H]([NH2+]C2CC(SC)C2)C1 ZINC000925929693 646543890 /nfs/dbraw/zinc/54/38/90/646543890.db2.gz PJFKDCKJYSPYLM-WNYYMSAVSA-N 2 0 228.405 1.810 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@H]1CCOC1 ZINC000926142649 646584422 /nfs/dbraw/zinc/58/44/22/646584422.db2.gz PCXJCROFNBGKFR-ICIURTGMSA-N 2 0 238.375 1.343 20 0 BDADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1ccns1 ZINC000926255530 646606105 /nfs/dbraw/zinc/60/61/05/646606105.db2.gz RRBOHSSCVKATTM-JTQLQIEISA-N 2 0 243.376 1.372 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCN1CC=CCC1 ZINC000926338827 646620940 /nfs/dbraw/zinc/62/09/40/646620940.db2.gz XSGJVMUYUGRMRC-YIONKMFJSA-N 2 0 249.402 1.178 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1cn(C)cn1 ZINC000926450699 646641405 /nfs/dbraw/zinc/64/14/05/646641405.db2.gz QMJMMPQGDOUIEE-ZJUUUORDSA-N 2 0 245.330 1.351 20 0 BDADRP C[C@H](Cc1ccccn1)[NH2+]C[C@H](C)C[NH+](C)C ZINC000926476264 646654115 /nfs/dbraw/zinc/65/41/15/646654115.db2.gz ZGLWVQSJUWDBGG-QWHCGFSZSA-N 2 0 235.375 1.800 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@H]1CC[NH3+] ZINC000723887092 711543098 /nfs/dbraw/zinc/54/30/98/711543098.db2.gz QFRKLUXUJZKSIQ-UPJWGTAASA-N 2 0 226.364 1.472 20 0 BDADRP COC[C@H](C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1)C(C)C ZINC000721963723 711694913 /nfs/dbraw/zinc/69/49/13/711694913.db2.gz LDXYPUIHVWRJTG-MJBXVCDLSA-N 2 0 242.407 1.822 20 0 BDADRP COC[C@@H](C[N@@H+]1CC[C@](C)(C[NH3+])C1)C(C)C ZINC000721912305 711917278 /nfs/dbraw/zinc/91/72/78/711917278.db2.gz LZDLMVPUNDTLHZ-CHWSQXEVSA-N 2 0 228.380 1.576 20 0 BDADRP COC[C@@H](C[N@@H+]1CC[C@@](C)(C[NH3+])C1)C(C)C ZINC000721912307 711917568 /nfs/dbraw/zinc/91/75/68/711917568.db2.gz LZDLMVPUNDTLHZ-OLZOCXBDSA-N 2 0 228.380 1.576 20 0 BDADRP C[C@@H]1COC[C@@H]1[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000700809702 712006724 /nfs/dbraw/zinc/00/67/24/712006724.db2.gz RPTXOZKLEDBXLQ-UPJWGTAASA-N 2 0 226.364 1.343 20 0 BDADRP CCC[C@H](C)C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702120751 712039623 /nfs/dbraw/zinc/03/96/23/712039623.db2.gz MHFKZJWGEHEHKU-RWMBFGLXSA-N 2 0 210.365 1.964 20 0 BDADRP CSC1CC([NH2+]C[C@@H](C)C[NH+](C)C)C1 ZINC000706775008 712155223 /nfs/dbraw/zinc/15/52/23/712155223.db2.gz JCPUTZYOXKDGCS-KPPDAEKUSA-N 2 0 216.394 1.668 20 0 BDADRP C[N@H+](CCCCCC[NH3+])CCn1cccn1 ZINC000707298513 712168998 /nfs/dbraw/zinc/16/89/98/712168998.db2.gz QQQJYWXQLWRBMO-UHFFFAOYSA-N 2 0 224.352 1.334 20 0 BDADRP COC(=O)CCCC[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000707541193 712171831 /nfs/dbraw/zinc/17/18/31/712171831.db2.gz SXUPTQORRGERFK-NSHDSACASA-N 2 0 228.336 1.000 20 0 BDADRP CC(C)[C@@H]1C[N@H+](CCCCCC[NH3+])CCO1 ZINC000708949966 712203494 /nfs/dbraw/zinc/20/34/94/712203494.db2.gz FJHCQUONPSERIT-ZDUSSCGKSA-N 2 0 228.380 1.862 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)C1 ZINC000709033894 712205913 /nfs/dbraw/zinc/20/59/13/712205913.db2.gz BQLNGAJZZHUPPT-WYUUTHIRSA-N 2 0 212.337 1.223 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)CC[NH2+]1 ZINC000711591277 712311287 /nfs/dbraw/zinc/31/12/87/712311287.db2.gz WARXMVKJDXSELS-LPWJVIDDSA-N 2 0 240.416 1.669 20 0 BDADRP CC(C)CC[C@H](O)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923480144 712334325 /nfs/dbraw/zinc/33/43/25/712334325.db2.gz VWCMDEKYEYYJNW-STQMWFEESA-N 2 0 228.380 1.454 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000712534001 712442127 /nfs/dbraw/zinc/44/21/27/712442127.db2.gz RSAIQCDVUDJHME-STQMWFEESA-N 2 0 238.375 1.759 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CCN2C)CC1 ZINC000712555255 712445098 /nfs/dbraw/zinc/44/50/98/712445098.db2.gz FLNNROMUGQBREA-ZDUSSCGKSA-N 2 0 225.380 1.153 20 0 BDADRP C=C/C=C/CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000713501148 712463691 /nfs/dbraw/zinc/46/36/91/712463691.db2.gz DXYDEGLSKKEMHH-OOPCZODUSA-N 2 0 224.348 1.165 20 0 BDADRP CC[C@@H](O)C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715572078 712529316 /nfs/dbraw/zinc/52/93/16/712529316.db2.gz JTTXREJXJOIQAF-OTTFEQOBSA-N 2 0 228.380 1.610 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CC(C)(C)CO1)C1C[NH2+]C1 ZINC000717356903 712650391 /nfs/dbraw/zinc/65/03/91/712650391.db2.gz BCQUPTVHXZQQID-PWSUYJOCSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@@H](Cc1ccco1)[NH2+]C1CC[NH2+]CC1 ZINC000038041069 712801434 /nfs/dbraw/zinc/80/14/34/712801434.db2.gz GTQHKAWPDKQWTP-JTQLQIEISA-N 2 0 208.305 1.552 20 0 BDADRP C[C@H]1CC[N@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000719778909 712824767 /nfs/dbraw/zinc/82/47/67/712824767.db2.gz MPAZBRAZSLCYLH-LBPRGKRZSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@H](CC[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000724234206 710738166 /nfs/dbraw/zinc/73/81/66/710738166.db2.gz VTNFMTNMFMPIKP-NDBYEHHHSA-N 2 0 228.380 1.872 20 0 BDADRP C1[NH2+][C@H]2[C@H]([NH2+]C3CCSCC3)[C@H]3C[C@H]1[C@@H]2C3 ZINC000382061990 710769788 /nfs/dbraw/zinc/76/97/88/710769788.db2.gz PWKMGONNXHMALP-WXDOIIRRSA-N 2 0 238.400 1.468 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)C(C)(C)C)C[C@@H]2C1 ZINC000383512402 710983487 /nfs/dbraw/zinc/98/34/87/710983487.db2.gz GZGMCNSDTDIDBU-AGIUHOORSA-N 2 0 240.391 1.277 20 0 BDADRP C[C@@H](CC(C)(C)O)[NH2+]CC1CC[NH+](C)CC1 ZINC000384756679 710995484 /nfs/dbraw/zinc/99/54/84/710995484.db2.gz PHWAEEMMUYMVTM-NSHDSACASA-N 2 0 228.380 1.467 20 0 BDADRP CO[C@H]([C@@H](C)[NH2+]CC1CC[NH+](C)CC1)C1CC1 ZINC000388206712 711052978 /nfs/dbraw/zinc/05/29/78/711052978.db2.gz DKXFCCZDQUKKMN-BXUZGUMPSA-N 2 0 240.391 1.731 20 0 BDADRP CCOCCCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000388356953 711060290 /nfs/dbraw/zinc/06/02/90/711060290.db2.gz BHSCUMPLMTVXBI-YHQUGGNUSA-N 2 0 238.375 1.389 20 0 BDADRP OCCCCCCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000390765898 711133769 /nfs/dbraw/zinc/13/37/69/711133769.db2.gz QNHKCMDPLYGKOR-CHWSQXEVSA-N 2 0 226.364 1.080 20 0 BDADRP C[C@H]1CC[C@@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000393826214 711177309 /nfs/dbraw/zinc/17/73/09/711177309.db2.gz OPVKKAFSDIPLGX-STQMWFEESA-N 2 0 225.380 1.012 20 0 BDADRP CCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)COC1 ZINC000393974617 711180422 /nfs/dbraw/zinc/18/04/22/711180422.db2.gz SPPZDVCQEQPRLV-YHWZYXNKSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@@H]([NH2+]CCCCCCO)[C@H]1CCCC[NH2+]1 ZINC000395159042 711203168 /nfs/dbraw/zinc/20/31/68/711203168.db2.gz PSNFGWYXKJVIAF-CHWSQXEVSA-N 2 0 228.380 1.659 20 0 BDADRP C[NH+]1CCC(C[NH2+]CCC2(CO)CC2)CC1 ZINC000395842998 711217241 /nfs/dbraw/zinc/21/72/41/711217241.db2.gz PIFODFAJBHESGG-UHFFFAOYSA-N 2 0 226.364 1.080 20 0 BDADRP C[C@H]([NH2+]CCC(C)(C)[NH3+])C1CC[NH+](C)CC1 ZINC000396466406 711221601 /nfs/dbraw/zinc/22/16/01/711221601.db2.gz SZQXLLGACZAKQK-NSHDSACASA-N 3 0 227.396 1.434 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000396592741 711355666 /nfs/dbraw/zinc/35/56/66/711355666.db2.gz UNNCKVRBVNQBID-SGMGOOAPSA-N 2 0 237.391 1.201 20 0 BDADRP C[C@@H]1NCCC[C@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000396594318 711358693 /nfs/dbraw/zinc/35/86/93/711358693.db2.gz KWJYMUBNVVLUMH-QWHCGFSZSA-N 2 0 239.407 1.448 20 0 BDADRP OC[C@@H]([NH2+]CCC[NH+]1CCCCC1)C1CC1 ZINC000381484541 710643652 /nfs/dbraw/zinc/64/36/52/710643652.db2.gz HHUQAICIIRETSO-CYBMUJFWSA-N 2 0 226.364 1.223 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](C)N1CCCCC1 ZINC000383610367 710984643 /nfs/dbraw/zinc/98/46/43/710984643.db2.gz SMYWMSHWBCRZPI-ZIAGYGMSSA-N 2 0 241.423 1.968 20 0 BDADRP CCCCOCCN[C@@H]1CCC[NH2+][C@@H]1C ZINC000396691219 711364510 /nfs/dbraw/zinc/36/45/10/711364510.db2.gz KZTWEFCGSLMVJV-VXGBXAGGSA-N 2 0 214.353 1.533 20 0 BDADRP C[C@H]1[NH2+]CCC[C@H]1NCCOCc1ccccc1 ZINC000396684191 711364682 /nfs/dbraw/zinc/36/46/82/711364682.db2.gz XILZNFAKCBOLKY-UKRRQHHQSA-N 2 0 248.370 1.933 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@@H]1CCC[NH2+][C@@H]1C ZINC000396716410 711365922 /nfs/dbraw/zinc/36/59/22/711365922.db2.gz RIFCLHWTZZYDRK-JHJVBQTASA-N 2 0 225.380 1.201 20 0 BDADRP CC(C)[N@H+](C)CCN[C@H]1CCC[NH2+][C@@H]1C ZINC000396711680 711366293 /nfs/dbraw/zinc/36/62/93/711366293.db2.gz RCFMYWOFEQKQKG-NEPJUHHUSA-N 2 0 213.369 1.057 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCOC(F)F ZINC000398128808 711401500 /nfs/dbraw/zinc/40/15/00/711401500.db2.gz IQORTGBKYPWSBY-MRVPVSSYSA-N 2 0 222.279 1.203 20 0 BDADRP CCn1nccc1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723711656 711535615 /nfs/dbraw/zinc/53/56/15/711535615.db2.gz DWXQHBNHJRJMJU-LLVKDONJSA-N 2 0 222.336 1.074 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@H](O)CC2CCCC2)C1 ZINC000723713570 711536085 /nfs/dbraw/zinc/53/60/85/711536085.db2.gz STWHVPADFXCSHJ-ZIAGYGMSSA-N 2 0 240.391 1.598 20 0 BDADRP C[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)C[C@H]1CC[NH3+] ZINC000723892744 711544216 /nfs/dbraw/zinc/54/42/16/711544216.db2.gz VGCIHZDHDVLZTN-GMTAPVOTSA-N 2 0 248.317 1.327 20 0 BDADRP COC1(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)CCCC1 ZINC000723890030 711544220 /nfs/dbraw/zinc/54/42/20/711544220.db2.gz AKFCNWQXGWRRMD-CHWSQXEVSA-N 2 0 240.391 1.862 20 0 BDADRP CC[C@H]([NH2+]CCC[NH+](C)C)[C@@H]1CCCOC1 ZINC000723974356 711549629 /nfs/dbraw/zinc/54/96/29/711549629.db2.gz KQEGTPLVMBAVNY-OLZOCXBDSA-N 2 0 228.380 1.733 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc(N)c3)C[C@@H]2C1 ZINC000386450762 711556703 /nfs/dbraw/zinc/55/67/03/711556703.db2.gz DOZBIXSJXDUUCJ-KGLIPLIRSA-N 2 0 245.370 1.652 20 0 BDADRP CO[C@@H]1CC[C@H]1[N@H+](C)CCCC1CC[NH2+]CC1 ZINC000724155365 711565066 /nfs/dbraw/zinc/56/50/66/711565066.db2.gz LRQUREOSVXRWOZ-ZIAGYGMSSA-N 2 0 240.391 1.875 20 0 BDADRP CCC(O)(CC)C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000383333628 711587227 /nfs/dbraw/zinc/58/72/27/711587227.db2.gz QQHUTJQXSDSCHJ-NWBUJAPZSA-N 2 0 238.375 1.124 20 0 BDADRP Cc1n[nH]cc1C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000724780454 711613843 /nfs/dbraw/zinc/61/38/43/711613843.db2.gz WEPOJOOGQWEXJT-MWLCHTKSSA-N 2 0 222.336 1.135 20 0 BDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCO[C@H]1CCOC1 ZINC000724926555 711629140 /nfs/dbraw/zinc/62/91/40/711629140.db2.gz RQODRJAJFNZKHV-QWHCGFSZSA-N 2 0 244.379 1.097 20 0 BDADRP C[C@@H]1[C@@H](N[C@@H]2CC[NH+](C)[C@H](C)C2)CC[N@@H+]1C ZINC000719627771 711672770 /nfs/dbraw/zinc/67/27/70/711672770.db2.gz WQSIHZQAWRNFCZ-LPWJVIDDSA-N 2 0 225.380 1.151 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@H](CO)CC2CC2)CC1 ZINC000893208661 711698493 /nfs/dbraw/zinc/69/84/93/711698493.db2.gz AYBXIGKAXVJUAR-ZDUSSCGKSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H]1CCC[N@H+](CCN[C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000925548641 711700177 /nfs/dbraw/zinc/70/01/77/711700177.db2.gz DAWAOHMLOFEQCR-MCIONIFRSA-N 2 0 239.407 1.448 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000396666716 711703215 /nfs/dbraw/zinc/70/32/15/711703215.db2.gz OYXLWKCQDKMCPZ-YNEHKIRRSA-N 2 0 227.396 1.447 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2COCC2(C)C)C1 ZINC000313147690 711714115 /nfs/dbraw/zinc/71/41/15/711714115.db2.gz SVKKGPINQDGLAT-RYUDHWBXSA-N 2 0 226.364 1.343 20 0 BDADRP C[C@@H]([NH3+])[C@@H](NC[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000925721173 711715729 /nfs/dbraw/zinc/71/57/29/711715729.db2.gz AACJZCUQYCLISH-BPLDGKMQSA-N 2 0 247.386 1.759 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc3c[nH]nc3c2)C1 ZINC000334847924 711718970 /nfs/dbraw/zinc/71/89/70/711718970.db2.gz YELZGBNHXCLKQC-STQMWFEESA-N 2 0 244.342 1.922 20 0 BDADRP C[NH+](C)[C@H](CN[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000094074639 711739038 /nfs/dbraw/zinc/73/90/38/711739038.db2.gz ULGTVHBKPINNFL-ZIAGYGMSSA-N 2 0 233.359 1.241 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCOC(C)(C)C ZINC000925781071 711748286 /nfs/dbraw/zinc/74/82/86/711748286.db2.gz WJOKGSGPSWMMSE-FUNVUKJBSA-N 2 0 240.391 1.731 20 0 BDADRP CC(C)CCOCC[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000160042885 711775614 /nfs/dbraw/zinc/77/56/14/711775614.db2.gz CISRVHYGRZXHDP-ZDUSSCGKSA-N 2 0 228.380 1.720 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000227708868 711832588 /nfs/dbraw/zinc/83/25/88/711832588.db2.gz ANHRISKKBFTKIY-KWCYVHTRSA-N 2 0 234.343 1.532 20 0 BDADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000227708875 711832628 /nfs/dbraw/zinc/83/26/28/711832628.db2.gz ANHRISKKBFTKIY-FPMFFAJLSA-N 2 0 234.343 1.532 20 0 BDADRP COC[C@@H](C[N@H+](C)C[C@H](C)[NH3+])C(C)C ZINC000721962575 711843099 /nfs/dbraw/zinc/84/30/99/711843099.db2.gz HKAUGKIRSKGWAQ-WDEREUQCSA-N 2 0 202.342 1.184 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](C[C@@H](COC)C(C)C)C1 ZINC000721914739 711918217 /nfs/dbraw/zinc/91/82/17/711918217.db2.gz SJVJJXTZBNYODV-OLZOCXBDSA-N 2 0 228.380 1.446 20 0 BDADRP COC[C@H](C[NH+]1CCC([NH3+])CC1)C(C)C ZINC000721916486 711919014 /nfs/dbraw/zinc/91/90/14/711919014.db2.gz XPCZCUBYAUXDOL-NSHDSACASA-N 2 0 214.353 1.328 20 0 BDADRP CO[C@H]1C[C@@H](CN2CC[C@H]3[NH2+]CC[C@H]3C2)C1 ZINC000721921291 711937231 /nfs/dbraw/zinc/93/72/31/711937231.db2.gz XJCHHXPTFYJVBA-WUHRBBMRSA-N 2 0 224.348 1.095 20 0 BDADRP C[NH2+]CCC1CC[NH+](C[C@H]2C[C@@H](OC)C2)CC1 ZINC000721931603 711939432 /nfs/dbraw/zinc/93/94/32/711939432.db2.gz IUEVMLKNIOTNMY-OKILXGFUSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000423445150 711957882 /nfs/dbraw/zinc/95/78/82/711957882.db2.gz XNYWGVQHWJXOJZ-JQWIXIFHSA-N 2 0 236.363 1.894 20 0 BDADRP COc1cncc(C[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000700059932 711985122 /nfs/dbraw/zinc/98/51/22/711985122.db2.gz ZUCQTLRTDQMPHU-UHFFFAOYSA-N 2 0 249.358 1.522 20 0 BDADRP C[C@@H]1CC[N@H+](CC2CC[NH+](C)CC2)C[C@H]1CO ZINC000700402178 711992544 /nfs/dbraw/zinc/99/25/44/711992544.db2.gz ZCWDKRMJIICULP-OCCSQVGLSA-N 2 0 240.391 1.279 20 0 BDADRP C[C@H](CC[NH2+][C@H]1C[C@@H](C)O[C@H]1C)[NH+](C)C ZINC000700468965 711993999 /nfs/dbraw/zinc/99/39/99/711993999.db2.gz IUQJKAFLXGQRMC-WYUUTHIRSA-N 2 0 214.353 1.482 20 0 BDADRP CC[C@@H]1COC[C@H]1[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000700809943 712006375 /nfs/dbraw/zinc/00/63/75/712006375.db2.gz WSCBSMWBDHEBSF-BFHYXJOUSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000701017740 712011576 /nfs/dbraw/zinc/01/15/76/712011576.db2.gz QMJYEKWIDHGKDH-HDLKOFKZSA-N 2 0 238.375 1.658 20 0 BDADRP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000701017744 712012053 /nfs/dbraw/zinc/01/20/53/712012053.db2.gz QMJYEKWIDHGKDH-LSUSWQKBSA-N 2 0 238.375 1.658 20 0 BDADRP c1cc(N2CCC([NH2+]C3CSC3)CC2)cc[nH+]1 ZINC000701975334 712033668 /nfs/dbraw/zinc/03/36/68/712033668.db2.gz ZYOAXRRGHASXNN-UHFFFAOYSA-N 2 0 249.383 1.755 20 0 BDADRP [NH3+]CCCCCCC[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000702094999 712038804 /nfs/dbraw/zinc/03/88/04/712038804.db2.gz WWLIIQAPALIQEH-KGLIPLIRSA-N 2 0 240.391 1.864 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCOc3ccccc3C2)C1 ZINC000703582913 712080009 /nfs/dbraw/zinc/08/00/09/712080009.db2.gz KRRDGQMLZPPMJY-BJHJDKERSA-N 2 0 232.327 1.618 20 0 BDADRP C[C@@H]([NH2+]C1CCC(C)(O)CC1)[C@@H]1CCC[NH2+]C1 ZINC000703614202 712081147 /nfs/dbraw/zinc/08/11/47/712081147.db2.gz LWFBEQQJRVPNPZ-IWMBGFJWSA-N 2 0 240.391 1.658 20 0 BDADRP COC1CC(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C1 ZINC000703851318 712090508 /nfs/dbraw/zinc/09/05/08/712090508.db2.gz NYWDMLKDWBVMFV-IUCVHNFVSA-N 2 0 224.348 1.081 20 0 BDADRP COC1CC(C[NH+]2CCC(CC[NH3+])CC2)C1 ZINC000703870382 712092013 /nfs/dbraw/zinc/09/20/13/712092013.db2.gz FRKPTANPSZAJJB-UHFFFAOYSA-N 2 0 226.364 1.472 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2ncccc2Cl)C1 ZINC000703936982 712094695 /nfs/dbraw/zinc/09/46/95/712094695.db2.gz VFHPJUUZLQEQOW-SNVBAGLBSA-N 2 0 239.750 1.906 20 0 BDADRP COCCC1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000704136053 712100487 /nfs/dbraw/zinc/10/04/87/712100487.db2.gz SUSQSYIQBDGWOK-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CCSC1)[C@H]1CCC[NH2+]1 ZINC000704776205 712116569 /nfs/dbraw/zinc/11/65/69/712116569.db2.gz OEPWEZRZIDGXDS-QJPTWQEYSA-N 2 0 228.405 1.860 20 0 BDADRP CN(C[C@H]1CCC[N@H+](C)C1)c1cc[nH+]c(CO)c1 ZINC000705127420 712122630 /nfs/dbraw/zinc/12/26/30/712122630.db2.gz AOGMGVGHVRWISM-LBPRGKRZSA-N 2 0 249.358 1.352 20 0 BDADRP CC1(C)CO[C@H](C[N@@H+]2CCC[C@H](C[NH3+])C2)C1 ZINC000708332136 712187988 /nfs/dbraw/zinc/18/79/88/712187988.db2.gz PMQHDYGCKXYEMX-NEPJUHHUSA-N 2 0 226.364 1.472 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@H]2CC[NH2+]CC2(C)C)C1 ZINC000708697759 712197761 /nfs/dbraw/zinc/19/77/61/712197761.db2.gz VKOIIMGBMYHJSZ-TUAOUCFPSA-N 2 0 226.364 1.389 20 0 BDADRP CC(C)[C@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000708898446 712203742 /nfs/dbraw/zinc/20/37/42/712203742.db2.gz LTLYUASTFWZETL-GRYCIOLGSA-N 2 0 212.337 1.081 20 0 BDADRP CC(C)[C@@H](O)C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000709771552 712220922 /nfs/dbraw/zinc/22/09/22/712220922.db2.gz BENHJHUYHRWAFI-LBPRGKRZSA-N 2 0 228.380 1.419 20 0 BDADRP C[C@@H](O)C[N@H+](CC1CC[NH+](C)CC1)C1CC1 ZINC000709403178 712220999 /nfs/dbraw/zinc/22/09/99/712220999.db2.gz UIMPXAKPEWNJSX-LLVKDONJSA-N 2 0 226.364 1.173 20 0 BDADRP CC(C)C[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709407931 712221195 /nfs/dbraw/zinc/22/11/95/712221195.db2.gz QXFMHNQLTSOQNE-ZGVCCVRISA-N 2 0 226.364 1.266 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1CCCOC1)[NH2+]2 ZINC000709447041 712222155 /nfs/dbraw/zinc/22/21/55/712222155.db2.gz DYCPQVFOXOROTN-MLGHIDQZSA-N 2 0 224.348 1.284 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCc1ccns1 ZINC000709775032 712223513 /nfs/dbraw/zinc/22/35/13/712223513.db2.gz KTEBSBPXFFDKBU-SNVBAGLBSA-N 2 0 227.377 1.793 20 0 BDADRP C[C@]1(C(F)(F)F)CC[N@H+](CCC[NH3+])C1 ZINC000709574202 712224920 /nfs/dbraw/zinc/22/49/20/712224920.db2.gz JPYAZOUPGZGQSL-QMMMGPOBSA-N 2 0 210.243 1.610 20 0 BDADRP CCC[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709796783 712227597 /nfs/dbraw/zinc/22/75/97/712227597.db2.gz YZYCHPCUVOFZLZ-HTQZYQBOSA-N 2 0 210.243 1.465 20 0 BDADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CCOCC1)C2 ZINC000709826723 712228936 /nfs/dbraw/zinc/22/89/36/712228936.db2.gz NBRWCKGBLYUFEO-AVGNSLFASA-N 2 0 224.348 1.225 20 0 BDADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC000709868299 712229794 /nfs/dbraw/zinc/22/97/94/712229794.db2.gz CZWCBEBIPNRENL-VPCRRHSYSA-N 2 0 220.360 1.844 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2ccns2)C12CCC2 ZINC000709969198 712235795 /nfs/dbraw/zinc/23/57/95/712235795.db2.gz YQVPBAGHPSZGEM-WDEREUQCSA-N 2 0 237.372 1.545 20 0 BDADRP Cc1nnsc1C[N@H+](C)CCCCCC[NH3+] ZINC000710706034 712254606 /nfs/dbraw/zinc/25/46/06/712254606.db2.gz QAWDUBYVHBWITG-UHFFFAOYSA-N 2 0 242.392 1.797 20 0 BDADRP CO[C@@H]1COCC[C@H]1[N@H+](C)CCCCCC[NH3+] ZINC000710724461 712255447 /nfs/dbraw/zinc/25/54/47/712255447.db2.gz MHAGBLGRBWGSOY-CHWSQXEVSA-N 2 0 244.379 1.241 20 0 BDADRP C[NH+](C)C[C@](C)(O)C[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000710895855 712261871 /nfs/dbraw/zinc/26/18/71/712261871.db2.gz HKSKPZAPHCLTQJ-ZOBORPQBSA-N 2 0 240.391 1.467 20 0 BDADRP C[NH+](C)CCOCC[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000710903372 712262001 /nfs/dbraw/zinc/26/20/01/712262001.db2.gz XKLXJFQRAGMRHD-BTTYYORXSA-N 2 0 240.391 1.733 20 0 BDADRP C[NH+](C)CC1(O)CC[NH+](CCCCF)CC1 ZINC000710647675 712264473 /nfs/dbraw/zinc/26/44/73/712264473.db2.gz CNDSFEVYDPUFFI-UHFFFAOYSA-N 2 0 232.343 1.125 20 0 BDADRP CC[C@@H](C)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710641787 712264565 /nfs/dbraw/zinc/26/45/65/712264565.db2.gz LHBGNUCZXWRAQW-LLVKDONJSA-N 2 0 214.353 1.173 20 0 BDADRP CC[C@@H](C)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710642689 712264907 /nfs/dbraw/zinc/26/49/07/712264907.db2.gz RFBVUVBQVJSSET-GFCCVEGCSA-N 2 0 228.380 1.421 20 0 BDADRP C[NH+](C)CC1(O)CC[NH+](CCCCCF)CC1 ZINC000710672066 712265641 /nfs/dbraw/zinc/26/56/41/712265641.db2.gz NTNBGKILCVVGOI-UHFFFAOYSA-N 2 0 246.370 1.515 20 0 BDADRP FC[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000711443567 712300543 /nfs/dbraw/zinc/30/05/43/712300543.db2.gz MWGHIYCOWGNNQZ-QWRGUYRKSA-N 2 0 200.301 1.277 20 0 BDADRP FC[C@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000711451353 712302288 /nfs/dbraw/zinc/30/22/88/712302288.db2.gz CNQGBRWEIYJIPB-MNOVXSKESA-N 2 0 200.301 1.277 20 0 BDADRP CC[NH+](CC)CCCN1[C@H](C)C[NH2+][C@@H](C)[C@H]1C ZINC000923435183 712321992 /nfs/dbraw/zinc/32/19/92/712321992.db2.gz FUUUOMCHXSZFNA-HZSPNIEDSA-N 2 0 241.423 1.789 20 0 BDADRP C(C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)OC1CC1 ZINC000711760410 712326790 /nfs/dbraw/zinc/32/67/90/712326790.db2.gz URLRLHZFSJVVEZ-TZMCWYRMSA-N 2 0 238.375 1.629 20 0 BDADRP CO[C@@H](C[N@@H+]1CC[C@H](CC[NH3+])C1)C1CCC1 ZINC000923480292 712334650 /nfs/dbraw/zinc/33/46/50/712334650.db2.gz WPSMGCRHCKTCOV-AAEUAGOBSA-N 2 0 226.364 1.472 20 0 BDADRP [NH3+]C1CCC([NH2+]CC2=CCCOC2)CC1 ZINC000379584509 712389053 /nfs/dbraw/zinc/38/90/53/712389053.db2.gz VCMLDPXERUPLKV-UHFFFAOYSA-N 2 0 210.321 1.193 20 0 BDADRP CCc1cc(NC[C@@H]2CC[N@@H+]2C)cc[nH+]1 ZINC000712592967 712435547 /nfs/dbraw/zinc/43/55/47/712435547.db2.gz VFYXBNKWTREMAJ-LBPRGKRZSA-N 2 0 205.305 1.182 20 0 BDADRP CN1CC[N@H+](CC2CC[NH2+]CC2)CCC1(C)C ZINC000712631554 712439025 /nfs/dbraw/zinc/43/90/25/712439025.db2.gz HOAXKFTVNIOJEV-UHFFFAOYSA-N 2 0 239.407 1.402 20 0 BDADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@@H](C)[NH+](C)C ZINC000713010687 712451008 /nfs/dbraw/zinc/45/10/08/712451008.db2.gz WBTBFJHYXBNLIR-MNOVXSKESA-N 2 0 243.395 1.062 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000713093478 712452413 /nfs/dbraw/zinc/45/24/13/712452413.db2.gz TYBOKGCPORMSBF-OFTGVCEQSA-N 2 0 236.359 1.271 20 0 BDADRP C([C@H]1CCCCO1)[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000713215134 712455202 /nfs/dbraw/zinc/45/52/02/712455202.db2.gz FYZUYFQDFXNQPN-CYBMUJFWSA-N 2 0 238.375 1.774 20 0 BDADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](CC[C@@H]1C[C@H]1C1CC1)C2 ZINC000714797576 712498563 /nfs/dbraw/zinc/49/85/63/712498563.db2.gz FOYAATJFVGQTIS-CBBWQLFWSA-N 2 0 234.387 1.964 20 0 BDADRP CCN1CCC[C@H]1C[NH2+]C[C@H]1COC(C)(C)O1 ZINC000715116330 712510262 /nfs/dbraw/zinc/51/02/62/712510262.db2.gz VDHFYOVLZMQDJF-RYUDHWBXSA-N 2 0 242.363 1.212 20 0 BDADRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000715203542 712513833 /nfs/dbraw/zinc/51/38/33/712513833.db2.gz DXJRFMCURKLRJZ-OLZOCXBDSA-N 2 0 249.358 1.750 20 0 BDADRP C[NH+](C)C1CCC([NH2+]C[C@@H](O)C2CC2)CC1 ZINC000715275496 712515447 /nfs/dbraw/zinc/51/54/47/712515447.db2.gz INHGBLHAXQOQCB-WXRRBKDZSA-N 2 0 226.364 1.220 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C2CC2)C1 ZINC000715291467 712515903 /nfs/dbraw/zinc/51/59/03/712515903.db2.gz IJTUSWLADMRTCI-YNEHKIRRSA-N 2 0 226.364 1.220 20 0 BDADRP [NH3+]C1CC[NH+](C[C@@H]2CC[C@H](C3CC3)O2)CC1 ZINC000715483021 712520834 /nfs/dbraw/zinc/52/08/34/712520834.db2.gz QEGRLCDXMNURCZ-QWHCGFSZSA-N 2 0 224.348 1.367 20 0 BDADRP C([C@H]1CC[C@H](C2CC2)O1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000715492803 712523498 /nfs/dbraw/zinc/52/34/98/712523498.db2.gz AJNBDOILBMXFHR-XJFOESAGSA-N 2 0 236.359 1.095 20 0 BDADRP C([C@@H]1CC[C@H](C2CC2)O1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000715492789 712523482 /nfs/dbraw/zinc/52/34/82/712523482.db2.gz AJNBDOILBMXFHR-RFQIPJPRSA-N 2 0 236.359 1.095 20 0 BDADRP C[NH+](C)C1(C)CCC([NH2+]C2CC[NH2+]CC2)CC1 ZINC000715514804 712524974 /nfs/dbraw/zinc/52/49/74/712524974.db2.gz XGHYXZYABMSSDC-UHFFFAOYSA-N 3 0 239.407 1.591 20 0 BDADRP C[C@@H]1OC[C@H]([NH2+]C2CCC([NH+](C)C)CC2)[C@@H]1C ZINC000715558565 712528122 /nfs/dbraw/zinc/52/81/22/712528122.db2.gz PPPCNNJLRWQTTJ-CJQNXBEJSA-N 2 0 240.391 1.872 20 0 BDADRP CC[C@@H]1COC[C@@H]1[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000715567460 712528546 /nfs/dbraw/zinc/52/85/46/712528546.db2.gz DZZHXCYAXUMNLE-RQJABVFESA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]1COC[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000715562829 712528663 /nfs/dbraw/zinc/52/86/63/712528663.db2.gz RKBPVHXUYSWXLK-NDBYEHHHSA-N 2 0 226.364 1.484 20 0 BDADRP CC[C@@H]1COC[C@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715572658 712529330 /nfs/dbraw/zinc/52/93/30/712529330.db2.gz LWHOUMALXLIZOL-BLYZHGLHSA-N 2 0 240.391 1.874 20 0 BDADRP CC1(CC[NH2+][C@H]2CCCC[C@H]2C[NH3+])OCCO1 ZINC000715926651 712543035 /nfs/dbraw/zinc/54/30/35/712543035.db2.gz KNPNMZYROSQMQB-RYUDHWBXSA-N 2 0 242.363 1.247 20 0 BDADRP Cc1cn[nH]c1C[NH2+]C1CCC([NH3+])CC1 ZINC000716456067 712562551 /nfs/dbraw/zinc/56/25/51/712562551.db2.gz GONFMQZJCGZSMS-UHFFFAOYSA-N 2 0 208.309 1.078 20 0 BDADRP Cc1n[nH]c(C[NH2+]CC2CC[NH+](C)CC2)c1C ZINC000716463580 712562985 /nfs/dbraw/zinc/56/29/85/712562985.db2.gz OMTAQWUSIZQBJI-UHFFFAOYSA-N 2 0 236.363 1.458 20 0 BDADRP [NH3+]CCC[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000379817536 712611639 /nfs/dbraw/zinc/61/16/39/712611639.db2.gz RZHOVHSSWDRCFV-UTLUCORTSA-N 2 0 232.418 1.304 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)C1CC1 ZINC000717340853 712649498 /nfs/dbraw/zinc/64/94/98/712649498.db2.gz VDWQHICYTOEOAU-WCBMZHEXSA-N 2 0 218.291 1.619 20 0 BDADRP C1=CCC(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000717355921 712650500 /nfs/dbraw/zinc/65/05/00/712650500.db2.gz KMHFPGSXWMWZLR-MEBFFEOJSA-N 2 0 218.344 1.539 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cnns2)C1 ZINC000380142314 712699225 /nfs/dbraw/zinc/69/92/25/712699225.db2.gz YVJZARIMTRZKCC-VIFPVBQESA-N 2 0 226.349 1.099 20 0 BDADRP C[C@@H]([NH2+]CCC[NH3+])c1ccc2c(c1)CCO2 ZINC000037713826 712749716 /nfs/dbraw/zinc/74/97/16/712749716.db2.gz WCXHREJUNANDKN-SNVBAGLBSA-N 2 0 220.316 1.621 20 0 BDADRP CC[C@H](O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918200 712786999 /nfs/dbraw/zinc/78/69/99/712786999.db2.gz AEQRISFKGSMSQF-AVGNSLFASA-N 2 0 226.364 1.221 20 0 BDADRP C[N@H+](C[C@@]1(C)CCC[NH2+]C1)[C@H]1CCSC1 ZINC000250816191 712834911 /nfs/dbraw/zinc/83/49/11/712834911.db2.gz XGDQNLPBMSUFRR-RYUDHWBXSA-N 2 0 228.405 1.813 20 0 BDADRP C[C@H]([NH2+]Cc1cccc2ncccc12)C1C[NH2+]C1 ZINC000720512416 712848152 /nfs/dbraw/zinc/84/81/52/712848152.db2.gz HFHNREJKYJUIPS-NSHDSACASA-N 2 0 241.338 1.932 20 0 BDADRP Cc1cc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c(C)nn1 ZINC000720585151 712854954 /nfs/dbraw/zinc/85/49/54/712854954.db2.gz WIZDPRDGLYTAMN-CMPLNLGQSA-N 2 0 234.347 1.263 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)C1 ZINC000720868940 712871986 /nfs/dbraw/zinc/87/19/86/712871986.db2.gz HTPKYNMZRZWLME-XDQVBPFNSA-N 2 0 238.375 1.485 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](C[C@@H]2C[C@H]3CCC[C@H]3O2)C1 ZINC000720875839 712872482 /nfs/dbraw/zinc/87/24/82/712872482.db2.gz XOGANUQSBBYDFX-QNWHQSFQSA-N 2 0 224.348 1.225 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)C1 ZINC000720875840 712872600 /nfs/dbraw/zinc/87/26/00/712872600.db2.gz XOGANUQSBBYDFX-RNJOBUHISA-N 2 0 224.348 1.225 20 0 BDADRP CCC[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720873975 712873320 /nfs/dbraw/zinc/87/33/20/712873320.db2.gz YZYCHPCUVOFZLZ-YUMQZZPRSA-N 2 0 210.243 1.465 20 0 BDADRP C[N@H+](C[C@@H]1C[C@H]2CCC[C@@H]2O1)C1CC[NH2+]CC1 ZINC000720872633 712873395 /nfs/dbraw/zinc/87/33/95/712873395.db2.gz ORNRAGISTPNVOA-XBFCOCLRSA-N 2 0 238.375 1.628 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]C[C@H]2C[C@H](O)C2)c2ccccc21 ZINC000720935932 712880162 /nfs/dbraw/zinc/88/01/62/712880162.db2.gz KWIMTWJXQWNQIE-TXFQPVFDSA-N 2 0 232.327 1.492 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@](C)(O)C2)C1 ZINC001208606012 957091938 /nfs/dbraw/zinc/09/19/38/957091938.db2.gz DBPBNBUIAOEGTK-KGLIPLIRSA-N 2 0 240.391 1.565 20 0 BDADRP C[C@@H]1C[C@@H](O)CC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000705397384 957199246 /nfs/dbraw/zinc/19/92/46/957199246.db2.gz CHVBSTNGHBCKCU-YPMHNXCESA-N 2 0 226.364 1.173 20 0 BDADRP C[C@@H]1CN(c2cc(N)cc[nH+]2)[C@@H](C)C[N@@H+]1C ZINC001164632161 719149032 /nfs/dbraw/zinc/14/90/32/719149032.db2.gz PXFBQEHTOSRWBC-ZJUUUORDSA-N 2 0 220.320 1.193 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)CN1c1cc(N)cc[nH+]1 ZINC001164632158 719149705 /nfs/dbraw/zinc/14/97/05/719149705.db2.gz PXFBQEHTOSRWBC-NXEZZACHSA-N 2 0 220.320 1.193 20 0 BDADRP Cc1cnc(N2C[C@H](C)[N@@H+](C)C[C@H]2C)c(C[NH3+])c1 ZINC001164633414 719225404 /nfs/dbraw/zinc/22/54/04/719225404.db2.gz DLRKJXDEKNQHQC-NWDGAFQWSA-N 2 0 248.374 1.378 20 0 BDADRP Cc1c[nH+]c(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1N ZINC001164638110 719229844 /nfs/dbraw/zinc/22/98/44/719229844.db2.gz NFYUKROZCKPCQO-QWRGUYRKSA-N 2 0 234.347 1.501 20 0 BDADRP CC(C)[NH+](CCN[C@@H]1CC[C@H](C)[NH2+]C1)C(C)C ZINC000399020174 958483053 /nfs/dbraw/zinc/48/30/53/958483053.db2.gz DUXCGTVSYLMRRZ-UONOGXRCSA-N 2 0 241.423 1.835 20 0 BDADRP C[C@H]1CC[C@@H](NCCC[NH+]2CCCC2)C[NH2+]1 ZINC000399099072 958504403 /nfs/dbraw/zinc/50/44/03/958504403.db2.gz ZMWWDXNHDSIDIQ-QWHCGFSZSA-N 2 0 225.380 1.202 20 0 BDADRP CO[C@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CC[C@@H]1C ZINC000693587123 958892517 /nfs/dbraw/zinc/89/25/17/958892517.db2.gz YCCZMEJMEIWJST-YFKTTZPYSA-N 2 0 212.337 1.081 20 0 BDADRP Cc1cc(C[NH+]2CCC(O)(C[NH3+])CC2)cs1 ZINC000396992870 960429949 /nfs/dbraw/zinc/42/99/49/960429949.db2.gz HLBIHJFVZRYIQS-UHFFFAOYSA-N 2 0 240.372 1.342 20 0 BDADRP CC(C)[N@H+](CCCO)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709483041 960621187 /nfs/dbraw/zinc/62/11/87/960621187.db2.gz WWHMVKISNKCESI-FUNVUKJBSA-N 2 0 226.364 1.362 20 0 BDADRP CCn1cc(C[NH+]2CCC(F)(C[NH3+])CC2)cn1 ZINC001222533131 960684066 /nfs/dbraw/zinc/68/40/66/960684066.db2.gz TTYQYRXTGLRMEL-UHFFFAOYSA-N 2 0 240.326 1.166 20 0 BDADRP C[C@@H]1C[C@H](N(C)C[C@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000300055061 961006184 /nfs/dbraw/zinc/00/61/84/961006184.db2.gz GVIKJUQCPQAIRC-JHJVBQTASA-N 2 0 225.380 1.153 20 0 BDADRP FC[C@@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000711444119 962707270 /nfs/dbraw/zinc/70/72/70/962707270.db2.gz RMIFIVPSURLFIO-ACJTYDJDSA-N 2 0 226.339 1.951 20 0 BDADRP [NH3+]CCCC[C@H]([NH3+])C(=O)Nc1ccccc1 ZINC000200120286 964577668 /nfs/dbraw/zinc/57/76/68/964577668.db2.gz GTQUFYHFZJZKBQ-NSHDSACASA-N 2 0 221.304 1.081 20 0 BDADRP C[NH+]1CCC(CO[C@H]2CCC[N@H+](C)C2)CC1 ZINC001224449573 964647633 /nfs/dbraw/zinc/64/76/33/964647633.db2.gz HUKMAABQVXODCF-ZDUSSCGKSA-N 2 0 226.364 1.439 20 0 BDADRP CC[C@@H]1COC[C@@H]1[NH2+]CCC[NH+](CC)CC ZINC000699550957 965964916 /nfs/dbraw/zinc/96/49/16/965964916.db2.gz HXDOPRKTSZXQNH-OLZOCXBDSA-N 2 0 228.380 1.733 20 0 BDADRP CC[C@H]1CN(CCCCCC[NH3+])CC[NH2+]1 ZINC001235725226 966103512 /nfs/dbraw/zinc/10/35/12/966103512.db2.gz SOIUBVFMKXPHDU-LBPRGKRZSA-N 2 0 213.369 1.189 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2CCC[C@H]([NH+](C)C)C2)CC[NH2+]1 ZINC000715560169 967159033 /nfs/dbraw/zinc/15/90/33/967159033.db2.gz YWSVDNOYVKXQOZ-RQJABVFESA-N 2 0 239.407 1.589 20 0 BDADRP C[NH+](C)C1CCC([NH2+]C[C@H](O)C(C)(C)C)CC1 ZINC000715581966 967193409 /nfs/dbraw/zinc/19/34/09/967193409.db2.gz VJVAHHNQZYOPQG-BPCQOVAHSA-N 2 0 242.407 1.856 20 0 BDADRP C[C@H]1CC[C@@H](CN)[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001205058875 967314993 /nfs/dbraw/zinc/31/49/93/967314993.db2.gz WZZYSUNGUZUUIO-AVGNSLFASA-N 2 0 225.380 1.188 20 0 BDADRP C[C@H]1CC[C@@H](CN)[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001205058876 967316387 /nfs/dbraw/zinc/31/63/87/967316387.db2.gz WZZYSUNGUZUUIO-XQQFMLRXSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@]1([NH3+])CCCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC001205255527 967444430 /nfs/dbraw/zinc/44/44/30/967444430.db2.gz JYDSDLQNJUVLAH-CHWSQXEVSA-N 2 0 225.380 1.189 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2CCCCO2)CC[C@@H]1C[NH3+] ZINC001205599889 967716497 /nfs/dbraw/zinc/71/64/97/967716497.db2.gz AMIDXGNRHNTFIV-MCIONIFRSA-N 2 0 240.391 1.862 20 0 BDADRP Nc1cc(N[C@H]2CCC[C@@H]([NH3+])C2)[nH+]cc1F ZINC001162392847 967824739 /nfs/dbraw/zinc/82/47/39/967824739.db2.gz HQYHCPJSBAIVDI-SFYZADRCSA-N 2 0 224.283 1.485 20 0 BDADRP CC/C=C\CCCCC[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205946678 967895735 /nfs/dbraw/zinc/89/57/35/967895735.db2.gz OLMLAVRYKFAVOF-JHZNUDOXSA-N 2 0 240.391 1.907 20 0 BDADRP C[NH+](C)CCCOC1CC[NH+](CCF)CC1 ZINC001206285219 968196611 /nfs/dbraw/zinc/19/66/11/968196611.db2.gz CRSUIPFYRVVHLT-UHFFFAOYSA-N 2 0 232.343 1.389 20 0 BDADRP CC(=O)[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC001207399404 968748158 /nfs/dbraw/zinc/74/81/58/968748158.db2.gz MPNHFXOPMRCBML-CYBMUJFWSA-N 2 0 224.348 1.239 20 0 BDADRP F[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CCC1(F)F ZINC001207436918 968756056 /nfs/dbraw/zinc/75/60/56/968756056.db2.gz WVSZVFTZRIAZOM-SNVBAGLBSA-N 2 0 236.281 1.665 20 0 BDADRP CCN1CC[N@H+](CC2CC[NH2+]CC2)C(C)(C)C1 ZINC001207442264 968773240 /nfs/dbraw/zinc/77/32/40/968773240.db2.gz WLJIGXGCEJRDHL-UHFFFAOYSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@H]1C[NH+](CC2(C)CC[NH+](C)CC2)C[C@H](C)O1 ZINC001208105755 969004489 /nfs/dbraw/zinc/00/44/89/969004489.db2.gz ZZVCWVXVBWVLRD-STQMWFEESA-N 2 0 240.391 1.828 20 0 BDADRP C[NH+]1CCC(C)(C[N@@H+]2CCC[C@@H](O)CC2)CC1 ZINC001208107728 969003225 /nfs/dbraw/zinc/00/32/25/969003225.db2.gz JWJPGCMXRNEXRW-CYBMUJFWSA-N 2 0 240.391 1.565 20 0 BDADRP C[NH+]1CCC(C)(C[N@@H+]2CCCC23COC3)CC1 ZINC001208114085 969006986 /nfs/dbraw/zinc/00/69/86/969006986.db2.gz RATMULKPRYGKFE-UHFFFAOYSA-N 2 0 238.375 1.583 20 0 BDADRP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC001253203208 969106777 /nfs/dbraw/zinc/10/67/77/969106777.db2.gz QEMJVWAQOQSSGV-JHJVBQTASA-N 2 0 246.370 1.559 20 0 BDADRP C[C@@H]1C[C@@H](O)C[N@@H+]1CC1(C[NH+](C)C)CCCC1 ZINC001208185178 969116117 /nfs/dbraw/zinc/11/61/17/969116117.db2.gz VVLCGYZTEFZLGH-CHWSQXEVSA-N 2 0 240.391 1.564 20 0 BDADRP CO[C@@H]1CC[N@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208607598 969162061 /nfs/dbraw/zinc/16/20/61/969162061.db2.gz LPXPEJFECMWVDU-VXGBXAGGSA-N 2 0 212.337 1.049 20 0 BDADRP CCN1CCO[C@@H]2C[N@H+](CCC3CC3)C[C@@H]2C1 ZINC001208682798 969192329 /nfs/dbraw/zinc/19/23/29/969192329.db2.gz SJALCGPUJBDEKJ-UONOGXRCSA-N 2 0 238.375 1.439 20 0 BDADRP CC[C@@H]1C[C@@H]([N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)CCO1 ZINC000723472273 969317414 /nfs/dbraw/zinc/31/74/14/969317414.db2.gz YHDAQAKEAQWODJ-WRWGMCAJSA-N 2 0 212.337 1.223 20 0 BDADRP C[C@@H]1C[N@@H+](C2C[C@@H](C)O[C@H](C)C2)C[C@H]1[NH3+] ZINC000723471703 969319204 /nfs/dbraw/zinc/31/92/04/969319204.db2.gz JHXHBCMGSPQUHV-DNRKLUKYSA-N 2 0 212.337 1.221 20 0 BDADRP CC(C)[C@@H](O)C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC001253781927 969401855 /nfs/dbraw/zinc/40/18/55/969401855.db2.gz DPUQTRJUUDTJAQ-AWEZNQCLSA-N 2 0 240.391 1.610 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(C)COC1)C2 ZINC001169080939 969402393 /nfs/dbraw/zinc/40/23/93/969402393.db2.gz NXCLQEIDUARVRV-ZSBIGDGJSA-N 2 0 224.348 1.238 20 0 BDADRP COCC(C)(C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169090691 969409231 /nfs/dbraw/zinc/40/92/31/969409231.db2.gz KVAFAIUCTCUUTB-ZSBIGDGJSA-N 2 0 226.364 1.626 20 0 BDADRP C[N@H+](CC1COC1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169148833 969462733 /nfs/dbraw/zinc/46/27/33/969462733.db2.gz ZYJMVZQJQAIFLE-ITGUQSILSA-N 2 0 224.348 1.190 20 0 BDADRP CC(=O)N1CCC([N@@H+](CCC[NH3+])C(C)C)CC1 ZINC001254414071 969613242 /nfs/dbraw/zinc/61/32/42/969613242.db2.gz RHPNSXYNUACYBO-UHFFFAOYSA-N 2 0 241.379 1.057 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH+]2CCC(F)CC2)CC1 ZINC001254516285 969687246 /nfs/dbraw/zinc/68/72/46/969687246.db2.gz LMZJGVJBJFNTOQ-LBPRGKRZSA-N 2 0 214.328 1.905 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH+]2CCCOCC2)CC1 ZINC001254516489 969687616 /nfs/dbraw/zinc/68/76/16/969687616.db2.gz NACLXMAXOVDPCO-LBPRGKRZSA-N 2 0 212.337 1.193 20 0 BDADRP C[N@H+](CC1COC1)[C@H]1CCC[NH+](C)CC1 ZINC001254525676 969721582 /nfs/dbraw/zinc/72/15/82/969721582.db2.gz KUKOJIJZAYDNQL-LBPRGKRZSA-N 2 0 212.337 1.049 20 0 BDADRP CCOCC[NH2+][C@@H](C)CC[NH+](CC)CC ZINC001255940128 970568080 /nfs/dbraw/zinc/56/80/80/970568080.db2.gz PRLAXSWIWKRBIS-LBPRGKRZSA-N 2 0 216.369 1.733 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC001255940782 970569082 /nfs/dbraw/zinc/56/90/82/970569082.db2.gz GNEAUQMHUOSJLH-BFHYXJOUSA-N 2 0 242.407 2.000 20 0 BDADRP CC[NH+](CC)CC[C@H](C)n1ccnc1CC[NH3+] ZINC001255942085 970576196 /nfs/dbraw/zinc/57/61/96/970576196.db2.gz DERXQDYCRAVERT-LBPRGKRZSA-N 2 0 238.379 1.677 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1O ZINC001255945938 970577559 /nfs/dbraw/zinc/57/75/59/970577559.db2.gz PWVNQPVTCHGTTE-XQQFMLRXSA-N 2 0 228.380 1.610 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N(C)C(C)(C)C[NH3+] ZINC001255948802 970580606 /nfs/dbraw/zinc/58/06/06/970580606.db2.gz PVCZPRKIXMKDDC-GFCCVEGCSA-N 2 0 229.412 1.776 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]CCCC[NH3+] ZINC001255946607 970583191 /nfs/dbraw/zinc/58/31/91/970583191.db2.gz WTIABXPMWLKJLR-LBPRGKRZSA-N 3 0 215.385 1.435 20 0 BDADRP CCC[C@@H](CO)[NH2+][C@@H](C)CC[NH+](CC)CC ZINC001255947793 970583709 /nfs/dbraw/zinc/58/37/09/970583709.db2.gz WQCYTAGQWZSYMP-STQMWFEESA-N 2 0 230.396 1.857 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+][C@H]1C[C@@H](O)C1 ZINC001255946386 970583808 /nfs/dbraw/zinc/58/38/08/970583808.db2.gz UJECYKACHROAJI-SDDRHHMPSA-N 2 0 214.353 1.220 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC001255956499 970596917 /nfs/dbraw/zinc/59/69/17/970596917.db2.gz KUHREPAXKKQSCK-MELADBBJSA-N 2 0 242.407 1.810 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[N@@H+]1C[C@H](O)CC[C@H]1C ZINC001255956006 970597984 /nfs/dbraw/zinc/59/79/84/970597984.db2.gz FOZBWKRBFPCVJB-HZSPNIEDSA-N 2 0 242.407 1.952 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N(C)[C@H]1CC[N@H+](C)C1 ZINC001255965075 970602856 /nfs/dbraw/zinc/60/28/56/970602856.db2.gz XPHAFCQOCPURQB-KBPBESRZSA-N 2 0 241.423 1.743 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CCOC1)C1CC[NH2+]CC1 ZINC000400631265 970611676 /nfs/dbraw/zinc/61/16/76/970611676.db2.gz GRTHEGSKLYYCQV-NEPJUHHUSA-N 2 0 226.364 1.391 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCOC1)C1CC[NH2+]CC1 ZINC000400631274 970612232 /nfs/dbraw/zinc/61/22/32/970612232.db2.gz GRTHEGSKLYYCQV-RYUDHWBXSA-N 2 0 226.364 1.391 20 0 BDADRP CC[NH+](CC)C1CCC([NH2+]CC[C@@H](C)O)CC1 ZINC001173106622 975024561 /nfs/dbraw/zinc/02/45/61/975024561.db2.gz CVBXGLQZVUZHQA-IYXRBSQSSA-N 2 0 242.407 2.000 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@H]1CCc2ncsc2C1 ZINC001173128146 975039769 /nfs/dbraw/zinc/03/97/69/975039769.db2.gz HJZBFCFFMUKCQE-IUCAKERBSA-N 2 0 225.361 1.185 20 0 BDADRP CCN1CC[C@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)C1 ZINC001173349575 975292736 /nfs/dbraw/zinc/29/27/36/975292736.db2.gz IODDHLKLXMVVHU-KBPBESRZSA-N 2 0 239.407 1.402 20 0 BDADRP COC(=O)CCCC[C@@H](C)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC001173436953 975373983 /nfs/dbraw/zinc/37/39/83/975373983.db2.gz GWPKLKVTXWDZKW-NEPJUHHUSA-N 2 0 242.363 1.531 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@@H](NCc3cnsc3)[C@H]2C1 ZINC001179814918 978759291 /nfs/dbraw/zinc/75/92/91/978759291.db2.gz BRJOJEDZOOBIHZ-SDDRHHMPSA-N 2 0 237.372 1.573 20 0 BDADRP C[C@H]1CC[C@H]([NH2+]CCN2CC[NH+](C)CC2)C1 ZINC000070761645 978890436 /nfs/dbraw/zinc/89/04/36/978890436.db2.gz NKYOLNWRYFUMCW-STQMWFEESA-N 2 0 225.380 1.012 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H](CO)C(C)(C)C)CC1 ZINC001180699351 978933804 /nfs/dbraw/zinc/93/38/04/978933804.db2.gz ZBVIIHVCDNLSPW-CYBMUJFWSA-N 2 0 242.407 1.715 20 0 BDADRP CC[C@@H]([NH3+])CN1CCCC[C@]12CCC[NH2+]C2 ZINC001235172315 978988852 /nfs/dbraw/zinc/98/88/52/978988852.db2.gz LMNRNDUDKYBDSU-CHWSQXEVSA-N 2 0 225.380 1.332 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235422806 979042515 /nfs/dbraw/zinc/04/25/15/979042515.db2.gz DRDVCCMZTYEAFB-KGLIPLIRSA-N 3 0 239.407 1.437 20 0 BDADRP CC[C@@H](C)C[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C[NH3+] ZINC001340917962 979158291 /nfs/dbraw/zinc/15/82/91/979158291.db2.gz ROHWDKYAIUTFCC-UTUOFQBUSA-N 2 0 241.379 1.090 20 0 BDADRP COC(=O)[C@@H](C)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001346017171 980727138 /nfs/dbraw/zinc/72/71/38/980727138.db2.gz KXRBOAIJNAZDMJ-LLVKDONJSA-N 2 0 240.347 1.014 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2ccon2)CC[C@@H]1C[NH3+] ZINC001205618290 981224302 /nfs/dbraw/zinc/22/43/02/981224302.db2.gz UGPFXTOIWXGJPC-GHMZBOCLSA-N 2 0 223.320 1.481 20 0 BDADRP [NH3+]CC1CCC([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC001350955950 982132738 /nfs/dbraw/zinc/13/27/38/982132738.db2.gz KOBRIQAUXSSVBL-QBHFIFKDSA-N 3 0 225.380 1.221 20 0 BDADRP C[C@@H](CC[NH3+])NC(=O)[C@H]([NH3+])C1CCCCCC1 ZINC001353602222 982911095 /nfs/dbraw/zinc/91/10/95/982911095.db2.gz JOQHRBGKJOXZQU-CMPLNLGQSA-N 2 0 241.379 1.138 20 0 BDADRP COC/C(C)=C/C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC001354710021 983346690 /nfs/dbraw/zinc/34/66/90/983346690.db2.gz OAHHNEVWTDASEU-WTWVRAIASA-N 2 0 240.391 1.995 20 0 BDADRP CCOCC[C@@H](C)[NH2+]C(C)(C)C(C)(C)[NH3+] ZINC001172416723 974684544 /nfs/dbraw/zinc/68/45/44/974684544.db2.gz PKHXMBKAEGAYGE-SNVBAGLBSA-N 2 0 216.369 1.907 20 0 BDADRP CC(C)OCC[C@@H](C)NC(=[NH2+])SCC[NH3+] ZINC001172438229 974793484 /nfs/dbraw/zinc/79/34/84/974793484.db2.gz NKFKILCHGAZIOT-SECBINFHSA-N 2 0 233.381 1.406 20 0 BDADRP CC(C)COCC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C)C1 ZINC001172457519 974821741 /nfs/dbraw/zinc/82/17/41/974821741.db2.gz PRNJHWHIUASIQL-KGLIPLIRSA-N 2 0 242.407 1.979 20 0 BDADRP CCc1n[nH]cc1C[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222552906 972564267 /nfs/dbraw/zinc/56/42/67/972564267.db2.gz LCOWLRFZHUXKRQ-UHFFFAOYSA-N 2 0 240.326 1.235 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H]([NH3+])CC2)C[C@H](C)O1 ZINC001246546508 972643120 /nfs/dbraw/zinc/64/31/20/972643120.db2.gz NAMDGSLLRGTCSN-YVECIDJPSA-N 2 0 226.364 1.756 20 0 BDADRP CN1CCC[C@H]([N@@H+]2CCC[C@@](F)(C[NH3+])CC2)C1 ZINC001246553502 972750326 /nfs/dbraw/zinc/75/03/26/972750326.db2.gz YPFYJCYWAIVVFF-STQMWFEESA-N 2 0 243.370 1.234 20 0 BDADRP CCCCC[C@@H](CCC)[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246587821 972983055 /nfs/dbraw/zinc/98/30/55/972983055.db2.gz VOZCRQFYGMHNEC-BFHYXJOUSA-N 2 0 242.407 1.987 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N2CC[NH2+]C[C@H](F)C2)CC[NH2+]1 ZINC001246598847 973020785 /nfs/dbraw/zinc/02/07/85/973020785.db2.gz OXLCUHZLRTUWQC-AVGNSLFASA-N 2 0 243.370 1.006 20 0 BDADRP C[C@@H]1CC[C@@H]([N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])C1 ZINC001246861916 973183247 /nfs/dbraw/zinc/18/32/47/973183247.db2.gz RJOLEMPSAYYRBA-HENWMNBSSA-N 2 0 224.348 1.081 20 0 BDADRP CCOC1CCC(N2C[C@@H]3C[NH2+]C[C@H]32)CC1 ZINC001246915634 973456813 /nfs/dbraw/zinc/45/68/13/973456813.db2.gz HJKXPJQKWQZRFI-YWPUVAFDSA-N 2 0 224.348 1.238 20 0 BDADRP C[C@@H]1C[N@H+](CC2Cc3ccccc3C2)C[C@H]1[NH3+] ZINC001206053071 970808806 /nfs/dbraw/zinc/80/88/06/970808806.db2.gz HXSXNDBYNUDWMG-IAQYHMDHSA-N 2 0 230.355 1.680 20 0 BDADRP C[NH+](C)CCCNC1CC[NH+](C(C)(C)C)CC1 ZINC001256559013 970864005 /nfs/dbraw/zinc/86/40/05/970864005.db2.gz XRNAFKLFODRDFL-UHFFFAOYSA-N 2 0 241.423 1.791 20 0 BDADRP C[N@H+](CC1COC1)C1CC[NH+](C(C)(C)C)CC1 ZINC001256573334 970866960 /nfs/dbraw/zinc/86/69/60/970866960.db2.gz GTXINUYRWZLCJT-UHFFFAOYSA-N 2 0 240.391 1.828 20 0 BDADRP C[C@H]([NH3+])CN(C)[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246982510 973753335 /nfs/dbraw/zinc/75/33/35/973753335.db2.gz XCJOQUBFHAOXMQ-STQMWFEESA-N 2 0 239.407 1.720 20 0 BDADRP C[C@H]([NH3+])c1nccn1C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256612435 970879075 /nfs/dbraw/zinc/87/90/75/970879075.db2.gz GGHLZEQTCVLAKE-WSMDXJOWSA-N 2 0 234.347 1.701 20 0 BDADRP COC[C@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001256622309 970887709 /nfs/dbraw/zinc/88/77/09/970887709.db2.gz HDVTWVTYNWWWPY-ICIURTGMSA-N 2 0 238.375 1.580 20 0 BDADRP C1[C@H]2CC[C@@H]([NH2+][C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)C[C@@H]12 ZINC000403359930 970919186 /nfs/dbraw/zinc/91/91/86/970919186.db2.gz HIMGUIXIMFZBSA-REECGULKSA-N 2 0 232.371 1.761 20 0 BDADRP C[N@H+](CCF)C1CCC([NH+]2CCOCC2)CC1 ZINC001256700509 970928111 /nfs/dbraw/zinc/92/81/11/970928111.db2.gz ZPUITYMKVNKPPZ-UHFFFAOYSA-N 2 0 244.354 1.531 20 0 BDADRP CCC1CCC([NH2+]CCN(C)CC[NH3+])CC1 ZINC001256868712 971008408 /nfs/dbraw/zinc/00/84/08/971008408.db2.gz ZIHOAFPCSBAMCJ-UHFFFAOYSA-N 2 0 227.396 1.435 20 0 BDADRP COC(=O)CC1CCC([NH2+]C2CC([NH3+])C2)CC1 ZINC001256977507 971056793 /nfs/dbraw/zinc/05/67/93/971056793.db2.gz YIEGWPSJVJUDEH-UHFFFAOYSA-N 2 0 240.347 1.188 20 0 BDADRP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC001170521683 971087621 /nfs/dbraw/zinc/08/76/21/971087621.db2.gz ZWKRXVMZIUGTHO-NOOOWODRSA-N 2 0 240.347 1.188 20 0 BDADRP C[C@H](C[NH3+])C[N@H+](C)C1C[C@@H](C)O[C@H](C)C1 ZINC001257082541 971094404 /nfs/dbraw/zinc/09/44/04/971094404.db2.gz AAWGQDFKYQIHKP-GMTAPVOTSA-N 2 0 214.353 1.469 20 0 BDADRP CC(C)[NH+]1CCC([N@@H+]2CCC[C@@H](O)CC2)CC1 ZINC001257213337 971129671 /nfs/dbraw/zinc/12/96/71/971129671.db2.gz LUQPUKRIDBKQNW-CQSZACIVSA-N 2 0 240.391 1.706 20 0 BDADRP CCc1cc(NC[C@H]2COCC[NH2+]2)cc[nH+]1 ZINC000307794367 971177696 /nfs/dbraw/zinc/17/76/96/971177696.db2.gz WROATAMHSIMLAE-LBPRGKRZSA-N 2 0 221.304 1.044 20 0 BDADRP C[NH+](C)C1(CN[C@@H]2C[C@@H]([NH3+])C23CCC3)CCC1 ZINC000405196350 971208096 /nfs/dbraw/zinc/20/80/96/971208096.db2.gz AOIWOEPMNRLOPN-VXGBXAGGSA-N 2 0 237.391 1.330 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405213358 971205477 /nfs/dbraw/zinc/20/54/77/971205477.db2.gz IXCQRJAPZNUZLH-WOPDTQHZSA-N 2 0 226.364 1.397 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCC2(CO)CC2)C12CCC2 ZINC000405220163 971210244 /nfs/dbraw/zinc/21/02/44/971210244.db2.gz ADHADHPKJMRVEZ-GHMZBOCLSA-N 2 0 224.348 1.009 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCCCO2)C12CCC2 ZINC000405237156 971213760 /nfs/dbraw/zinc/21/37/60/971213760.db2.gz UBZQZYYYJPKZFT-YNEHKIRRSA-N 2 0 238.375 1.805 20 0 BDADRP CC[NH+]1CCC(N[C@@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000405236181 971215638 /nfs/dbraw/zinc/21/56/38/971215638.db2.gz SRQWWJCVZQWQBJ-CHWSQXEVSA-N 2 0 237.391 1.330 20 0 BDADRP CCC[C@H](C)[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001257326304 971226394 /nfs/dbraw/zinc/22/63/94/971226394.db2.gz VCRWUAZJPBSWTC-AWEZNQCLSA-N 2 0 241.423 1.744 20 0 BDADRP Cc1cc(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)ccn1 ZINC000405320046 971229889 /nfs/dbraw/zinc/22/98/89/971229889.db2.gz RAFVPGYLZYXBFE-STQMWFEESA-N 2 0 231.343 1.750 20 0 BDADRP CC(C)(O)C(C)(C)C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405317751 971231597 /nfs/dbraw/zinc/23/15/97/971231597.db2.gz PZEXFRRXGUCRDP-QWRGUYRKSA-N 2 0 240.391 1.643 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCC2(O)CCC2)C12CCC2 ZINC000405299739 971231691 /nfs/dbraw/zinc/23/16/91/971231691.db2.gz ITVJWORILYGEBO-GHMZBOCLSA-N 2 0 224.348 1.151 20 0 BDADRP CSCCCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405313912 971232027 /nfs/dbraw/zinc/23/20/27/971232027.db2.gz QGABHXONEULTPD-QWRGUYRKSA-N 2 0 228.405 1.989 20 0 BDADRP CC[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)OC ZINC000405316512 971232255 /nfs/dbraw/zinc/23/22/55/971232255.db2.gz RRYGEXINEUJMOP-MXWKQRLJSA-N 2 0 212.337 1.271 20 0 BDADRP CC(C)(O)CC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405313193 971233145 /nfs/dbraw/zinc/23/31/45/971233145.db2.gz PZROGHCTWUJDKN-ZJUUUORDSA-N 2 0 212.337 1.007 20 0 BDADRP CC(C)(O)CC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405313184 971233735 /nfs/dbraw/zinc/23/37/35/971233735.db2.gz PZROGHCTWUJDKN-NXEZZACHSA-N 2 0 212.337 1.007 20 0 BDADRP CS[C@H](C)C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405318366 971233801 /nfs/dbraw/zinc/23/38/01/971233801.db2.gz QFGPJFPRVKGKJV-KXUCPTDWSA-N 2 0 214.378 1.597 20 0 BDADRP CCCC(CCC)[NH2+]CCOCC[NH3+] ZINC001257329762 971234900 /nfs/dbraw/zinc/23/49/00/971234900.db2.gz LXGVKRWXTWKTEC-UHFFFAOYSA-N 2 0 202.342 1.520 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]CCCCF)C12CCC2 ZINC000405330194 971235206 /nfs/dbraw/zinc/23/52/06/971235206.db2.gz WLCNXEDVDRSOEX-UWVGGRQHSA-N 2 0 200.301 1.596 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCN2CC=CCC2)C12CCC2 ZINC000405335833 971237727 /nfs/dbraw/zinc/23/77/27/971237727.db2.gz ZFTAWSBLVQOFEY-CHWSQXEVSA-N 2 0 235.375 1.108 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CC=CCC2)C12CCC2 ZINC000405323558 971238351 /nfs/dbraw/zinc/23/83/51/971238351.db2.gz SKSWAWFYRGCIIH-IJLUTSLNSA-N 2 0 206.333 1.955 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]CCN2CC=CCC2)C12CCC2 ZINC000405335840 971238700 /nfs/dbraw/zinc/23/87/00/971238700.db2.gz ZFTAWSBLVQOFEY-STQMWFEESA-N 2 0 235.375 1.108 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CCOC2CCCC2)C12CCC2 ZINC000405357501 971240437 /nfs/dbraw/zinc/24/04/37/971240437.db2.gz RUIYPIBOELIZNP-OLZOCXBDSA-N 2 0 238.375 1.805 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405347696 971242277 /nfs/dbraw/zinc/24/22/77/971242277.db2.gz LWSFBCOZLRWOCJ-NOOOWODRSA-N 2 0 224.348 1.271 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCOC2)C12CCC2 ZINC000405373628 971245782 /nfs/dbraw/zinc/24/57/82/971245782.db2.gz ZVMLJLQDOFUXKQ-QJPTWQEYSA-N 2 0 224.348 1.273 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405377425 971246958 /nfs/dbraw/zinc/24/69/58/971246958.db2.gz BTVBHCQKDSDYBP-VXGBXAGGSA-N 3 0 225.380 1.188 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405378829 971249047 /nfs/dbraw/zinc/24/90/47/971249047.db2.gz CGSYAVGMFXXYSM-SRVKXCTJSA-N 2 0 226.364 1.397 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405398677 971249107 /nfs/dbraw/zinc/24/91/07/971249107.db2.gz JJHPHAFFDDIYKD-WOPDTQHZSA-N 2 0 226.364 1.255 20 0 BDADRP C[C@](O)(C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)C1CC1 ZINC000405376576 971250007 /nfs/dbraw/zinc/25/00/07/971250007.db2.gz BNXRSQTVNUZZGN-SRVKXCTJSA-N 2 0 224.348 1.007 20 0 BDADRP CCC(O)(CC)C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405388012 971250475 /nfs/dbraw/zinc/25/04/75/971250475.db2.gz FPOXILWSTAIDBR-WDEREUQCSA-N 2 0 226.364 1.397 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2ccc(O)cc2)C12CCC2 ZINC000405536156 971263836 /nfs/dbraw/zinc/26/38/36/971263836.db2.gz ZQHPBMDKYQXZFB-KBPBESRZSA-N 2 0 246.354 1.794 20 0 BDADRP C[C@@H]1[C@@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)CO[C@H]1C ZINC000405661027 971288694 /nfs/dbraw/zinc/28/86/94/971288694.db2.gz NZFAXFLNJHKVMC-FMSGJZPZSA-N 2 0 238.375 1.484 20 0 BDADRP C[C@@H]1OC[C@H]([NH2+]CC2CC[NH+](C)CC2)[C@@H]1C ZINC000405699344 971294130 /nfs/dbraw/zinc/29/41/30/971294130.db2.gz YURVJIYWXLYTNM-MDZLAQPJSA-N 2 0 226.364 1.341 20 0 BDADRP CC(C)CCc1nnc([C@@H](N)CCCC[NH3+])o1 ZINC001217700000 971338421 /nfs/dbraw/zinc/33/84/21/971338421.db2.gz VSPXLCNRNDFJTL-JTQLQIEISA-N 2 0 240.351 1.787 20 0 BDADRP C[C@@H]1C[C@@H]1c1nnc(C[C@@H]([NH3+])CCCC[NH3+])o1 ZINC001217716949 971356300 /nfs/dbraw/zinc/35/63/00/971356300.db2.gz DJDJOIJMNMRWRY-UTLUCORTSA-N 2 0 238.335 1.192 20 0 BDADRP C[C@@H]1C[C@H]1c1nnc([C@@](C)([NH3+])CCCC[NH3+])o1 ZINC001217755692 971386426 /nfs/dbraw/zinc/38/64/26/971386426.db2.gz LHQNRRDHAHZEGV-LNLATYFQSA-N 2 0 238.335 1.496 20 0 BDADRP C[C@H](O)C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171617648 974114596 /nfs/dbraw/zinc/11/45/96/974114596.db2.gz PDEITKIJJROHJJ-JTQLQIEISA-N 2 0 228.380 1.608 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1OCCCC1CC[NH2+]CC1 ZINC001217788210 971408700 /nfs/dbraw/zinc/40/87/00/971408700.db2.gz FVMWWEFBRNXTNE-TZMCWYRMSA-N 2 0 240.391 1.781 20 0 BDADRP C(O[C@@H]1CCC12CC[NH2+]CC2)[C@H]1CCC[NH2+]C1 ZINC001217796399 971411974 /nfs/dbraw/zinc/41/19/74/971411974.db2.gz JVDSSPKGOCONSO-QWHCGFSZSA-N 2 0 238.375 1.535 20 0 BDADRP C(O[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCC[NH2+]C1 ZINC001217825230 971419928 /nfs/dbraw/zinc/41/99/28/971419928.db2.gz OZBSURWKHDSVOK-RVMXOQNASA-N 2 0 224.348 1.286 20 0 BDADRP C[N@@H+]1CCC[C@@H](OC[C@@H]2CCC[NH2+]C2)C1 ZINC001217829038 971424261 /nfs/dbraw/zinc/42/42/61/971424261.db2.gz DUVFLWFYKBGLAY-VXGBXAGGSA-N 2 0 212.337 1.097 20 0 BDADRP CC[N@@H+]1CC[C@@H](OC[C@H]2CCC[NH2+]C2)C1 ZINC001217832838 971425104 /nfs/dbraw/zinc/42/51/04/971425104.db2.gz KYJOANHXYGLJIL-NWDGAFQWSA-N 2 0 212.337 1.097 20 0 BDADRP C(O[C@@H]1C[NH+]2CCC1CC2)[C@H]1CCC[NH2+]C1 ZINC001217858808 971452912 /nfs/dbraw/zinc/45/29/12/971452912.db2.gz WFTIPHYQKLDNJI-WCQYABFASA-N 2 0 224.348 1.097 20 0 BDADRP C[C@@H]1CC[C@H](OCC2(C)CC[NH2+]CC2)C[NH2+]1 ZINC001217909528 971509944 /nfs/dbraw/zinc/50/99/44/971509944.db2.gz FTHIUAQETNYBIM-NEPJUHHUSA-N 2 0 226.364 1.533 20 0 BDADRP C(CC1CC[NH2+]CC1)O[C@H]1[C@@H]2CC[C@H]1[NH2+]C2 ZINC001217925139 971528482 /nfs/dbraw/zinc/52/84/82/971528482.db2.gz PMDQLIPCMKCDTD-UPJWGTAASA-N 2 0 224.348 1.143 20 0 BDADRP FC1(F)CC[NH2+]C[C@@H]1OCC[C@H]1CCC[NH2+]C1 ZINC001217929101 971531979 /nfs/dbraw/zinc/53/19/79/971531979.db2.gz YOFPIRCSUMALCR-MNOVXSKESA-N 2 0 248.317 1.390 20 0 BDADRP CC1([NH3+])CC[NH+](C2CCC3(COC3)CC2)CC1 ZINC001257900438 971534212 /nfs/dbraw/zinc/53/42/12/971534212.db2.gz AOGBVYRXDQAPHI-UHFFFAOYSA-N 2 0 238.375 1.759 20 0 BDADRP C(O[C@@H]1CC[C@H]2C[NH2+]C[C@H]21)[C@@H]1CCC[NH2+]C1 ZINC001217934978 971536751 /nfs/dbraw/zinc/53/67/51/971536751.db2.gz BPFMILIRTRMRIH-YVECIDJPSA-N 2 0 224.348 1.001 20 0 BDADRP CC1(C)C[C@@H](OC[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001217936010 971539185 /nfs/dbraw/zinc/53/91/85/971539185.db2.gz CFPXXDRXFFCKBW-RYUDHWBXSA-N 2 0 226.364 1.533 20 0 BDADRP CC1(C)C[C@H](OC[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001217936009 971539267 /nfs/dbraw/zinc/53/92/67/971539267.db2.gz CFPXXDRXFFCKBW-NWDGAFQWSA-N 2 0 226.364 1.533 20 0 BDADRP C[NH2+][C@H]1C[C@H](Oc2ccc([C@@H](C)[NH3+])cc2)C1 ZINC001217956637 971544539 /nfs/dbraw/zinc/54/45/39/971544539.db2.gz VFYASNQOFIVWCO-IRUJWGPZSA-N 2 0 220.316 1.836 20 0 BDADRP c1cc(O[C@H]2CCCC[NH2+]C2)nc2c1C[NH2+]CC2 ZINC001217970625 971553992 /nfs/dbraw/zinc/55/39/92/971553992.db2.gz ONZDPWXDMKIGPN-LBPRGKRZSA-N 2 0 247.342 1.248 20 0 BDADRP c1cc2c(cc1O[C@H]1CCCC[NH2+]C1)CC[NH2+]C2 ZINC001217967495 971552464 /nfs/dbraw/zinc/55/24/64/971552464.db2.gz BACTZHUXVUNUMH-HNNXBMFYSA-N 2 0 246.354 1.853 20 0 BDADRP [NH3+]Cc1cccc(O[C@@H]2CCC[NH2+]CC2)c1 ZINC001218001372 971565496 /nfs/dbraw/zinc/56/54/96/971565496.db2.gz USIOPGZGEISDMZ-GFCCVEGCSA-N 2 0 220.316 1.666 20 0 BDADRP [NH3+]Cc1cccc(O[C@@H]2CC[C@@]23CC[NH2+]C3)c1 ZINC001218120031 971605552 /nfs/dbraw/zinc/60/55/52/971605552.db2.gz SALBOIZSHVAOTO-KGLIPLIRSA-N 2 0 232.327 1.666 20 0 BDADRP Cc1c(O[C@H](C)C2C[NH2+]C2)ccc2c1CC[NH2+]C2 ZINC001218193698 971623494 /nfs/dbraw/zinc/62/34/94/971623494.db2.gz JIIFVANEZVPEIK-LLVKDONJSA-N 2 0 246.354 1.627 20 0 BDADRP C[C@@H]([NH3+])c1ccc(O[C@H]2CCC[NH2+]C2)cc1 ZINC001218287068 971681175 /nfs/dbraw/zinc/68/11/75/971681175.db2.gz KLQYENBSYZDJAT-MFKMUULPSA-N 2 0 220.316 1.837 20 0 BDADRP [NH3+]Cc1ccccc1O[C@H]1C[NH2+]CC[C@H]1F ZINC001218322097 971711231 /nfs/dbraw/zinc/71/12/31/971711231.db2.gz IFCCJJVXFKWYPW-PWSUYJOCSA-N 2 0 224.279 1.224 20 0 BDADRP C[C@H]1[NH2+]C[C@@H]1Oc1cccc2c1C[NH2+]C2 ZINC001218384109 971761155 /nfs/dbraw/zinc/76/11/55/971761155.db2.gz CIFYLGQBTBBBJX-PELKAZGASA-N 2 0 204.273 1.029 20 0 BDADRP C[C@H]1CC[C@H](Oc2ccccc2C[NH3+])C[NH2+]1 ZINC001218405848 971780537 /nfs/dbraw/zinc/78/05/37/971780537.db2.gz MNJVGLRCDZCUEI-JQWIXIFHSA-N 2 0 220.316 1.665 20 0 BDADRP [NH3+]Cc1ccccc1O[C@H]1C[NH2+]CCC1(F)F ZINC001218454998 971823588 /nfs/dbraw/zinc/82/35/88/971823588.db2.gz UKVQQQVLSHRZQD-NSHDSACASA-N 2 0 242.269 1.521 20 0 BDADRP c1cc(O[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc2c1C[NH2+]C2 ZINC001218478631 971827352 /nfs/dbraw/zinc/82/73/52/971827352.db2.gz BWZRTGCHPMGSCQ-IACUBPJLSA-N 2 0 230.311 1.562 20 0 BDADRP CC1(C[NH+]2CCC(F)(C[NH3+])CC2)CCOCC1 ZINC001222526986 972542634 /nfs/dbraw/zinc/54/26/34/972542634.db2.gz HFEWDHYMZUZXEE-UHFFFAOYSA-N 2 0 244.354 1.566 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+][C@@H]2CCCOCC2)C1 ZINC001170792210 971832153 /nfs/dbraw/zinc/83/21/53/971832153.db2.gz INMXTXIKBVXPLP-TUAOUCFPSA-N 2 0 212.337 1.415 20 0 BDADRP [NH3+]Cc1cccc(O[C@@H]2C[C@H]3C[NH2+][C@@H]2C3)c1 ZINC001218492383 971834629 /nfs/dbraw/zinc/83/46/29/971834629.db2.gz TWFVDLBEBZPDKN-CYZMBNFOSA-N 2 0 218.300 1.275 20 0 BDADRP C[N@H+](CC1CC[NH+](C)CC1)[C@H]1CCCOCC1 ZINC001170819846 971905148 /nfs/dbraw/zinc/90/51/48/971905148.db2.gz HZJXMOFFNCRCOU-AWEZNQCLSA-N 2 0 240.391 1.829 20 0 BDADRP N[C@H](C[NH3+])c1ccc(C(=O)Nc2ccc[nH]2)cc1 ZINC001218716621 971924476 /nfs/dbraw/zinc/92/44/76/971924476.db2.gz XOEKZINDUHAIHZ-LLVKDONJSA-N 2 0 244.298 1.226 20 0 BDADRP [NH3+]CCCNCC(=O)Nc1ccc2cc[nH]c2c1 ZINC001218943398 971968534 /nfs/dbraw/zinc/96/85/34/971968534.db2.gz WBSPSMKXRGVINW-UHFFFAOYSA-N 2 0 246.314 1.045 20 0 BDADRP [NH3+]CCc1ccc(NC2=C[NH2+]CCC2)cc1 ZINC001159640296 971991576 /nfs/dbraw/zinc/99/15/76/971991576.db2.gz PYHDVPRWALEYHE-UHFFFAOYSA-N 2 0 217.316 1.825 20 0 BDADRP [NH3+]C[C@H]1CCCC[N@H+](Cc2ccc(CO)cc2)C1 ZINC000311137184 971995352 /nfs/dbraw/zinc/99/53/52/971995352.db2.gz KOHCNNNVAUJUFD-OAHLLOKOSA-N 2 0 248.370 1.740 20 0 BDADRP CC[C@H](C)[C@@H]([NH2+]C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC001219347430 972007810 /nfs/dbraw/zinc/00/78/10/972007810.db2.gz OMHCJPRTQNRNQK-GXFFZTMASA-N 2 0 249.358 1.718 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc(C(F)F)cn1 ZINC001170901282 972051109 /nfs/dbraw/zinc/05/11/09/972051109.db2.gz YHSKFKXXNJXCJO-QMMMGPOBSA-N 2 0 230.262 1.455 20 0 BDADRP Cc1ccc2cc(N[C@@H]([NH3+])CCC[NH3+])ncc2c1 ZINC001170897965 972054840 /nfs/dbraw/zinc/05/48/40/972054840.db2.gz KNFAMSGCNPGONY-CYBMUJFWSA-N 2 0 244.342 1.979 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccnc(C2CCCC2)n1 ZINC001170897605 972056584 /nfs/dbraw/zinc/05/65/84/972056584.db2.gz OPCPJIKJWJNXKG-NSHDSACASA-N 2 0 249.362 1.570 20 0 BDADRP C[C@@H]1c2ccc(N[C@@H]([NH3+])CCC[NH3+])cc2NC1=O ZINC001170899414 972058504 /nfs/dbraw/zinc/05/85/04/972058504.db2.gz JWFAOFDCZGPFJF-PRHODGIISA-N 2 0 248.330 1.178 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc(C2([NH3+])CCC2)cc1 ZINC001170901321 972058762 /nfs/dbraw/zinc/05/87/62/972058762.db2.gz ZGBYUPFNTYOBGY-CYBMUJFWSA-N 3 0 248.374 1.460 20 0 BDADRP CCOc1cc(C)c(N[C@H]([NH3+])CCC[NH3+])cn1 ZINC001170899653 972061178 /nfs/dbraw/zinc/06/11/78/972061178.db2.gz DDRAZARLBIEVCC-NSHDSACASA-N 2 0 238.335 1.224 20 0 BDADRP Cc1c(Cl)ncc(F)c1N[C@@H]([NH3+])CCC[NH3+] ZINC001170898547 972061403 /nfs/dbraw/zinc/06/14/03/972061403.db2.gz DNHRRSYVNSFTOR-MRVPVSSYSA-N 2 0 246.717 1.618 20 0 BDADRP Cc1ccc2cccc(N[C@H]([NH3+])CCC[NH3+])c2n1 ZINC001170899992 972066333 /nfs/dbraw/zinc/06/63/33/972066333.db2.gz NZBCAZYODKBSMM-ZDUSSCGKSA-N 2 0 244.342 1.979 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1cccc2c1OCC2 ZINC001170900717 972068005 /nfs/dbraw/zinc/06/80/05/972068005.db2.gz OZEAAIUZZXAIOS-LLVKDONJSA-N 2 0 221.304 1.057 20 0 BDADRP COc1c(C)cccc1N[C@H]([NH3+])CCC[NH3+] ZINC001170900938 972070078 /nfs/dbraw/zinc/07/00/78/972070078.db2.gz ROASJQCWRXLJHW-NSHDSACASA-N 2 0 223.320 1.439 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1cccc2c1CCN2 ZINC001170901080 972070965 /nfs/dbraw/zinc/07/09/65/972070965.db2.gz VPCFHHFQKAMIIM-LBPRGKRZSA-N 2 0 220.320 1.090 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc(C2CC2)nc1 ZINC001170902857 972072004 /nfs/dbraw/zinc/07/20/04/972072004.db2.gz GEXLKPINAQUFGM-LBPRGKRZSA-N 2 0 220.320 1.395 20 0 BDADRP CC(C)([NH3+])c1ccccc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170902900 972073215 /nfs/dbraw/zinc/07/32/15/972073215.db2.gz HEDQCOWDFTWSQI-GFCCVEGCSA-N 3 0 236.363 1.316 20 0 BDADRP Cc1ccc(N(C)C)c(N[C@H]([NH3+])CCC[NH3+])c1 ZINC001170902883 972073393 /nfs/dbraw/zinc/07/33/93/972073393.db2.gz GTDJBAWERKRVGY-ZDUSSCGKSA-N 2 0 236.363 1.497 20 0 BDADRP Cc1cc(N[C@H]([NH3+])CCC[NH3+])nc2cc[nH]c21 ZINC001170903795 972078401 /nfs/dbraw/zinc/07/84/01/972078401.db2.gz LJAJSQCCMDKQNA-JTQLQIEISA-N 2 0 233.319 1.307 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1cc(OC(F)F)ccn1 ZINC001170905701 972078535 /nfs/dbraw/zinc/07/85/35/972078535.db2.gz VDCFNAYAUYTNPM-MRVPVSSYSA-N 2 0 246.261 1.119 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1cccc2c1CC[C@@H]2[NH3+] ZINC001170904322 972078599 /nfs/dbraw/zinc/07/85/99/972078599.db2.gz OCDFZKKZCQDHAG-AAEUAGOBSA-N 3 0 234.347 1.068 20 0 BDADRP Cc1cc(N[C@@H]([NH3+])CCC[NH3+])cc2cc[nH]c21 ZINC001170902527 972078616 /nfs/dbraw/zinc/07/86/16/972078616.db2.gz FLHRLXMIKGKHDQ-GFCCVEGCSA-N 2 0 232.331 1.912 20 0 BDADRP COc1cccc(C)c1N[C@@H]([NH3+])CCC[NH3+] ZINC001170905715 972078926 /nfs/dbraw/zinc/07/89/26/972078926.db2.gz VFWUEJMEUKJFET-LLVKDONJSA-N 2 0 223.320 1.439 20 0 BDADRP Cc1cc2cc(N[C@H]([NH3+])CCC[NH3+])ccc2c[nH+]1 ZINC001170904821 972081055 /nfs/dbraw/zinc/08/10/55/972081055.db2.gz PZDJKGVUOYRQGL-AWEZNQCLSA-N 3 0 244.342 1.979 20 0 BDADRP Cc1cccc2ccc(N[C@H]([NH3+])CCC[NH3+])nc12 ZINC001159780302 972109328 /nfs/dbraw/zinc/10/93/28/972109328.db2.gz XBYQQXRVCCKCJT-LBPRGKRZSA-N 2 0 244.342 1.979 20 0 BDADRP Cc1cnc(N[C@@H]([NH3+])CCC[NH3+])c(C)c1 ZINC001159785553 972113162 /nfs/dbraw/zinc/11/31/62/972113162.db2.gz QHRLXOKWLAGKAX-SNVBAGLBSA-N 2 0 208.309 1.134 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1nncc2ccc(F)cc21 ZINC001159784658 972111148 /nfs/dbraw/zinc/11/11/48/972111148.db2.gz KKUSVVYOJQVHJE-NSHDSACASA-N 2 0 249.293 1.205 20 0 BDADRP C[NH2+]CCC(=O)NCCC[NH2+]C1CCCCC1 ZINC001219954089 972118943 /nfs/dbraw/zinc/11/89/43/972118943.db2.gz CMPGQGYVCRICFM-UHFFFAOYSA-N 2 0 241.379 1.025 20 0 BDADRP CCCCC[C@H](O)C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246029024 972122342 /nfs/dbraw/zinc/12/23/42/972122342.db2.gz KUZZREQFALRXMS-XQQFMLRXSA-N 2 0 246.370 1.689 20 0 BDADRP CC[C@@H]1C[C@H](N[C@@H](C[NH3+])c2ccccc2)CC[NH2+]1 ZINC001246076396 972131901 /nfs/dbraw/zinc/13/19/01/972131901.db2.gz NQOFNBQCJHKAGR-KFWWJZLASA-N 2 0 247.386 1.807 20 0 BDADRP [NH3+]C[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC001246079299 972135557 /nfs/dbraw/zinc/13/55/57/972135557.db2.gz YASBLETZDUOIKA-IZGVIRRGSA-N 2 0 245.370 1.559 20 0 BDADRP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](F)CC2)CC[NH2+]1 ZINC001246090487 972143158 /nfs/dbraw/zinc/14/31/58/972143158.db2.gz YBQVRBWLHOAEFF-NNYUYHANSA-N 2 0 214.328 1.997 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001246095663 972150006 /nfs/dbraw/zinc/15/00/06/972150006.db2.gz BUXBTUXSBHKJKR-PJIALRRASA-N 2 0 238.375 1.532 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H](C)[NH2+]C2)CCO1 ZINC001246098382 972154569 /nfs/dbraw/zinc/15/45/69/972154569.db2.gz PPJDXRWSWATPMG-XJFOESAGSA-N 2 0 240.391 1.922 20 0 BDADRP C[NH2+]CC[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]C[C@@H]1C ZINC001246100326 972154865 /nfs/dbraw/zinc/15/48/65/972154865.db2.gz XHRAPKGJKAAHIG-AVGNSLFASA-N 3 0 227.396 1.210 20 0 BDADRP [NH3+]Cc1nc2ccccc2n1C1CC[NH2+]CC1 ZINC001246099611 972156904 /nfs/dbraw/zinc/15/69/04/972156904.db2.gz XYUVMHCLAMFQOR-UHFFFAOYSA-N 2 0 230.315 1.420 20 0 BDADRP CC[C@H](C)NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001220112897 972159513 /nfs/dbraw/zinc/15/95/13/972159513.db2.gz DIAVMUGLQQJGMP-RYUDHWBXSA-N 2 0 243.395 1.397 20 0 BDADRP CC[N@@H+]1CC[C@H](NC[C@@H]2CC[C@H](C)C[NH2+]2)C1 ZINC001246105161 972170567 /nfs/dbraw/zinc/17/05/67/972170567.db2.gz MLKNLNPQOWKMRU-AVGNSLFASA-N 2 0 225.380 1.058 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+][C@H]2C)CCO1 ZINC001246108979 972172090 /nfs/dbraw/zinc/17/20/90/972172090.db2.gz IYKJCQZMVROWDN-RVMXOQNASA-N 2 0 226.364 1.532 20 0 BDADRP C[C@@H]1CC[C@H](CN[C@@H]2CC[NH2+][C@@H](C)C2)[NH2+]C1 ZINC001246104440 972165767 /nfs/dbraw/zinc/16/57/67/972165767.db2.gz JQZAPIFUZRCCMN-YVECIDJPSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1CC[C@@H](CN[C@H]2CC[NH2+][C@@H](C)C2)[NH2+]C1 ZINC001246104437 972165775 /nfs/dbraw/zinc/16/57/75/972165775.db2.gz JQZAPIFUZRCCMN-VOAKCMCISA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+]C2C[C@@H]3C=C[C@H](C2)O3)[NH2+]C1 ZINC001246107763 972172117 /nfs/dbraw/zinc/17/21/17/972172117.db2.gz UNTDHBSKJAVWDJ-YJBUHQLJSA-N 2 0 236.359 1.450 20 0 BDADRP C[C@H](Cc1cccnc1)[NH2+]C[C@H]1C[NH2+]CC[C@@H]1C ZINC001246114137 972177151 /nfs/dbraw/zinc/17/71/51/972177151.db2.gz SPCNTAJWCACODM-GZBFAFLISA-N 2 0 247.386 1.848 20 0 BDADRP CCCC[C@@H]1C[C@@H](NC2CC([NH3+])C2)CC[NH2+]1 ZINC001246116850 972178867 /nfs/dbraw/zinc/17/88/67/972178867.db2.gz XWMUKNBFWORLFU-QBHFIFKDSA-N 2 0 225.380 1.377 20 0 BDADRP C[C@@H]1CC(NC[C@H]2CCC[NH2+][C@H]2C)C[C@@H](C)[NH2+]1 ZINC001246116053 972179341 /nfs/dbraw/zinc/17/93/41/972179341.db2.gz ULSVEWNHRQOSJC-FVCCEPFGSA-N 2 0 239.407 1.493 20 0 BDADRP C[C@@H]1C[C@@H](NC[C@@H]2CCC[NH2+][C@H]2C)CC[NH2+]1 ZINC001246114472 972181030 /nfs/dbraw/zinc/18/10/30/972181030.db2.gz WQOOWWMCIZZXSF-VOAKCMCISA-N 2 0 225.380 1.105 20 0 BDADRP C[C@H](Cc1cccnc1)[NH2+]C[C@H]1C[NH2+]CC[C@H]1C ZINC001246115708 972183457 /nfs/dbraw/zinc/18/34/57/972183457.db2.gz SPCNTAJWCACODM-UMVBOHGHSA-N 2 0 247.386 1.848 20 0 BDADRP CC(C)N(CCC[NH3+])[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246170137 972201025 /nfs/dbraw/zinc/20/10/25/972201025.db2.gz HMZYMOAKQQUMHT-VXGBXAGGSA-N 2 0 213.369 1.186 20 0 BDADRP C[C@H]1CC[C@@H](Nc2cccc(C[NH3+])c2)C[NH2+]1 ZINC001246179387 972207699 /nfs/dbraw/zinc/20/76/99/972207699.db2.gz PWKJOWFEQDKHCO-GXFFZTMASA-N 2 0 219.332 1.698 20 0 BDADRP CCOC(=O)CCCC[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC001246185478 972210239 /nfs/dbraw/zinc/21/02/39/972210239.db2.gz FCZRXOBYBDACLN-NEPJUHHUSA-N 2 0 242.363 1.450 20 0 BDADRP CC[C@@H]1C[C@H](NC[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246199153 972215398 /nfs/dbraw/zinc/21/53/98/972215398.db2.gz JDNRTJROLKEMOC-YNEHKIRRSA-N 2 0 225.380 1.106 20 0 BDADRP CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CO1 ZINC000396492300 956886017 /nfs/dbraw/zinc/88/60/17/956886017.db2.gz LNVVXNOWMNKOSO-MXWKQRLJSA-N 2 0 212.337 1.413 20 0 BDADRP CC(C)C[C@@](C)([NH3+])C(=O)NCC1([NH3+])CCCC1 ZINC001220497271 972232465 /nfs/dbraw/zinc/23/24/65/972232465.db2.gz ODUGXKVLLRKKAY-GFCCVEGCSA-N 2 0 241.379 1.138 20 0 BDADRP CN1CCC[C@H](C[N@@H+]2CCCC23CC3)C1 ZINC001208603397 957088780 /nfs/dbraw/zinc/08/87/80/957088780.db2.gz CPGCGWHALDQIIH-LBPRGKRZSA-N 2 0 208.349 1.957 20 0 BDADRP CC[C@H]([NH2+]C1CC[NH2+]CC1)c1ccncc1 ZINC001246241342 972246655 /nfs/dbraw/zinc/24/66/55/972246655.db2.gz ZNZAEZRSONAKAI-ZDUSSCGKSA-N 2 0 219.332 1.874 20 0 BDADRP COCOCCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC001209028721 957284947 /nfs/dbraw/zinc/28/49/47/957284947.db2.gz DCCSFERQWVLSJQ-UHFFFAOYSA-N 2 0 244.379 1.271 20 0 BDADRP CC1(C)C[C@@H]([NH+]2CCC(C[NH3+])CC2)CO1 ZINC000396877689 957332861 /nfs/dbraw/zinc/33/28/61/957332861.db2.gz JILMNFHRXOSJPC-LLVKDONJSA-N 2 0 212.337 1.225 20 0 BDADRP C[C@H]([NH3+])CCN[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246303602 972265068 /nfs/dbraw/zinc/26/50/68/972265068.db2.gz ITICMZZVUBFDIE-TUAOUCFPSA-N 2 0 227.396 1.480 20 0 BDADRP C[C@H]([NH3+])CCNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001246306960 972266986 /nfs/dbraw/zinc/26/69/86/972266986.db2.gz UKJAVVFFRGUHFN-WODVXLOZSA-N 2 0 225.380 1.329 20 0 BDADRP CCOC(=O)[C@H]1CCC[C@H]([NH2+]CC[C@H](C)[NH3+])C1 ZINC001246305158 972267455 /nfs/dbraw/zinc/26/74/55/972267455.db2.gz NNOCJSHJGLGDGF-SRVKXCTJSA-N 2 0 242.363 1.435 20 0 BDADRP CC(C)[C@@H]1C[C@@H](NCC[C@H](C)[NH3+])CC[NH2+]1 ZINC001246306184 972267701 /nfs/dbraw/zinc/26/77/01/972267701.db2.gz QLFUCLUPNYQJFJ-SRVKXCTJSA-N 2 0 213.369 1.090 20 0 BDADRP C[C@@H]1C[C@H]1C[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001209430367 957459818 /nfs/dbraw/zinc/45/98/18/957459818.db2.gz LOYZIVBBIOEAEY-YVECIDJPSA-N 2 0 208.349 1.526 20 0 BDADRP CC[NH+](CC)[C@H]1CCN(Cc2c[nH+]ccc2N)C1 ZINC001209731155 957530524 /nfs/dbraw/zinc/53/05/24/957530524.db2.gz OLVNNKWUZWQCBP-ZDUSSCGKSA-N 2 0 248.374 1.410 20 0 BDADRP C[C@@H]1C[N@H+](CCCC[NH3+])CCC[C@]1(C)O ZINC001209846627 957541961 /nfs/dbraw/zinc/54/19/61/957541961.db2.gz VGBJDVPCTZDYEJ-NEPJUHHUSA-N 2 0 214.353 1.208 20 0 BDADRP CCOC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]([NH3+])CC)C1 ZINC001246313765 972275350 /nfs/dbraw/zinc/27/53/50/972275350.db2.gz KZSVXMXGARPNDS-UTUOFQBUSA-N 2 0 242.363 1.435 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+]C1CCC(C(=O)OC)CC1 ZINC001246314792 972275784 /nfs/dbraw/zinc/27/57/84/972275784.db2.gz QASQJWPZQBUELG-HSOILSAZSA-N 2 0 228.336 1.045 20 0 BDADRP CSC1(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000382186765 957579001 /nfs/dbraw/zinc/57/90/01/957579001.db2.gz HCMUZKZWKFRDNL-KKJSVHSVSA-N 2 0 238.400 1.468 20 0 BDADRP Cc1cc(N)[nH+]cc1N(C)c1cc(N)cc[nH+]1 ZINC001209965954 957589106 /nfs/dbraw/zinc/58/91/06/957589106.db2.gz KGMSZEYFGOSGES-UHFFFAOYSA-N 2 0 229.287 1.717 20 0 BDADRP [NH3+]Cc1cccc2ncn([C@@H]3CCC[NH2+]C3)c21 ZINC001246319644 972278558 /nfs/dbraw/zinc/27/85/58/972278558.db2.gz FUWYRNCIOCYECW-LLVKDONJSA-N 2 0 230.315 1.420 20 0 BDADRP C[N@@H+]1CC[C@H](Nc2ccc(C3([NH3+])CC3)cc2)C1 ZINC001167278792 957628321 /nfs/dbraw/zinc/62/83/21/957628321.db2.gz SIHHOVSPWXJBNO-ZDUSSCGKSA-N 2 0 231.343 1.750 20 0 BDADRP C[C@H]1CCN(Cc2cccc(C[NH3+])c2)CC[NH2+]1 ZINC001210496132 957762317 /nfs/dbraw/zinc/76/23/17/957762317.db2.gz DXZZGCOMJYVGFB-LBPRGKRZSA-N 2 0 233.359 1.329 20 0 BDADRP C[C@H]1C[C@@H](N[C@@]23CC[C@@]([NH3+])(C2)CCC3)CC[NH2+]1 ZINC001246332342 972295716 /nfs/dbraw/zinc/29/57/16/972295716.db2.gz IHPRGWJLXNDQKY-FQUUOJAGSA-N 2 0 237.391 1.521 20 0 BDADRP c1ccc2c(c1)CC([NH2+][C@H]1CC13C[NH2+]C3)C2 ZINC001246444741 972317332 /nfs/dbraw/zinc/31/73/32/972317332.db2.gz KYCPFBROPWRGCN-ZDUSSCGKSA-N 2 0 214.312 1.105 20 0 BDADRP C[NH+]1CCC2(C[NH+](Cc3cc[nH]c(=O)c3)C2)CC1 ZINC001207123650 958083539 /nfs/dbraw/zinc/08/35/39/958083539.db2.gz VNODYPOOFCHZPC-UHFFFAOYSA-N 2 0 247.342 1.315 20 0 BDADRP Fc1cccc2c1C[C@@H]([NH2+][C@H]1CC13C[NH2+]C3)CC2 ZINC001246448667 972318553 /nfs/dbraw/zinc/31/85/53/972318553.db2.gz ZRWGXJOXQBYDII-FZMZJTMJSA-N 2 0 246.329 1.635 20 0 BDADRP C[C@H]1CC[C@@H]([NH2+]C[C@H]2CCC[C@@H](C[NH3+])C2)CN1 ZINC001246451002 972321096 /nfs/dbraw/zinc/32/10/96/972321096.db2.gz SQBHSDDKZNLNMR-RFQIPJPRSA-N 3 0 239.407 1.482 20 0 BDADRP COc1c[nH+]ccc1Nc1cc[nH+]c(N(C)C)c1 ZINC001211259694 958126639 /nfs/dbraw/zinc/12/66/39/958126639.db2.gz NAUAKFBXEPCZMC-UHFFFAOYSA-N 2 0 244.298 1.717 20 0 BDADRP CCCC[C@@H]1C[C@H](NCC[NH2+]C(C)C)CC[NH2+]1 ZINC001246459082 972334209 /nfs/dbraw/zinc/33/42/09/972334209.db2.gz IZNRZFXUAMOOET-ZIAGYGMSSA-N 2 0 241.423 1.885 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H]([NH+](C)C)CC2)CN1 ZINC001246461472 972335345 /nfs/dbraw/zinc/33/53/45/972335345.db2.gz JMBXTSXPNYXUMW-SYQHCUMBSA-N 2 0 239.407 1.589 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@]23CCCOC3)CC[NH2+]1 ZINC001246465288 972339462 /nfs/dbraw/zinc/33/94/62/972339462.db2.gz MEEGETHMIJQWQW-LPWJVIDDSA-N 2 0 224.348 1.286 20 0 BDADRP C1[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@]12CCCOC2 ZINC001246466454 972342080 /nfs/dbraw/zinc/34/20/80/972342080.db2.gz QSJAYYBKOIMLOX-AEBFUODCSA-N 2 0 236.359 1.428 20 0 BDADRP CCC1(O)CC[NH+]([C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000707223271 958415347 /nfs/dbraw/zinc/41/53/47/958415347.db2.gz YNVWFVDEPSNCQG-NWDGAFQWSA-N 2 0 226.364 1.364 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)NCC3)CC[NH2+]1 ZINC001246475058 972347722 /nfs/dbraw/zinc/34/77/22/972347722.db2.gz REQLGVXXQKPKQS-FZMZJTMJSA-N 2 0 245.370 1.885 20 0 BDADRP C[C@@H]1CC[C@@H](N[C@H]2COC(C)(C)C2)C[NH2+]1 ZINC000399112535 958517285 /nfs/dbraw/zinc/51/72/85/958517285.db2.gz ZMPWAWILOIIOJC-GMTAPVOTSA-N 2 0 212.337 1.284 20 0 BDADRP CC(C)(O)[C@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000707559041 958577554 /nfs/dbraw/zinc/57/75/54/958577554.db2.gz RSMFSCLOWLWROF-GFCCVEGCSA-N 2 0 226.364 1.221 20 0 BDADRP COc1cccc([C@@H](C[NH3+])N[C@@H]2CCC[NH2+]C2)c1 ZINC001246507333 972366108 /nfs/dbraw/zinc/36/61/08/972366108.db2.gz ASVVFGCMSNONIF-TZMCWYRMSA-N 2 0 249.358 1.037 20 0 BDADRP CC(C)(C)[C@@H]1C[C@@H](N2CC[NH2+]CC2)CC[NH2+]1 ZINC001246522528 972377621 /nfs/dbraw/zinc/37/76/21/972377621.db2.gz AAVFLGSRITZHPE-RYUDHWBXSA-N 2 0 225.380 1.058 20 0 BDADRP COc1ccccc1C[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693546053 958754769 /nfs/dbraw/zinc/75/47/69/958754769.db2.gz NIRNZLIWHFQBTB-BJHJDKERSA-N 2 0 234.343 1.864 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@H](N3CCCC3)C2)C1 ZINC000693569998 958865074 /nfs/dbraw/zinc/86/50/74/958865074.db2.gz UYZGKFBVYPTTIK-MJBXVCDLSA-N 2 0 237.391 1.284 20 0 BDADRP CCO[C@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000693586063 958888219 /nfs/dbraw/zinc/88/82/19/958888219.db2.gz QMALMIVMBUVJEX-TUAOUCFPSA-N 2 0 212.337 1.225 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+]CCN1CC[C@@H](C)C1 ZINC000382393299 958890784 /nfs/dbraw/zinc/89/07/84/958890784.db2.gz NBAHRFFUZAXMKY-JHJVBQTASA-N 2 0 226.364 1.485 20 0 BDADRP OCCC[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222154203 972396526 /nfs/dbraw/zinc/39/65/26/972396526.db2.gz IIICUGHKZIRHGC-AWEZNQCLSA-N 2 0 240.391 1.615 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@]12C[C@@H]1CCCC2 ZINC000693628106 959055569 /nfs/dbraw/zinc/05/55/69/959055569.db2.gz GYHLQNSBMAWYAS-MELADBBJSA-N 2 0 240.391 1.910 20 0 BDADRP CC[C@H]1COC[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000829420555 959291178 /nfs/dbraw/zinc/29/11/78/959291178.db2.gz NELPTFSUZIZFQK-RYUDHWBXSA-N 2 0 214.353 1.343 20 0 BDADRP COCCCC[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222238023 972422510 /nfs/dbraw/zinc/42/25/10/972422510.db2.gz YOJGCWQAEWHHAH-ZDUSSCGKSA-N 2 0 226.364 1.631 20 0 BDADRP [NH3+]CCCCCCNC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC001327134523 972432955 /nfs/dbraw/zinc/43/29/55/972432955.db2.gz NKPGCBUKFIKJIE-NWDGAFQWSA-N 2 0 241.379 1.139 20 0 BDADRP c1ccc([C@H]2C[C@H](N3CC[NH2+]CC3)CC[NH2+]2)cc1 ZINC001246530886 972435153 /nfs/dbraw/zinc/43/51/53/972435153.db2.gz QIXPQCWYZZUUII-HUUCEWRRSA-N 2 0 245.370 1.385 20 0 BDADRP C[NH+](C)C1CCC([NH2+]CC(C)(C)O)CC1 ZINC000309036623 959565062 /nfs/dbraw/zinc/56/50/62/959565062.db2.gz IMQSTLOXQOBVLJ-UHFFFAOYSA-N 2 0 214.353 1.220 20 0 BDADRP C([C@H]1CCC[NH2+]C1)N1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222347124 972440905 /nfs/dbraw/zinc/44/09/05/972440905.db2.gz WUTUORBRSBZPIF-KBPBESRZSA-N 2 0 237.391 1.204 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222347098 972441019 /nfs/dbraw/zinc/44/10/19/972441019.db2.gz WBKRVZPRYIPPCV-AWEZNQCLSA-N 3 0 237.391 1.204 20 0 BDADRP F[C@@H]1CCC[NH2+]C[C@@H]1OCC[C@@H]1CCC[NH2+]C1 ZINC001217774163 959584827 /nfs/dbraw/zinc/58/48/27/959584827.db2.gz NGMJTHVNPZKKLP-XQQFMLRXSA-N 2 0 244.354 1.483 20 0 BDADRP C(OC1CC2(C1)CC[NH2+]C2)[C@@H]1CCC[NH2+]C1 ZINC001217793970 959608281 /nfs/dbraw/zinc/60/82/81/959608281.db2.gz IVSAAKSEFZEQFU-PNESKVBLSA-N 2 0 224.348 1.145 20 0 BDADRP COC(=O)CC(C)(C)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000694066885 959710836 /nfs/dbraw/zinc/71/08/36/959710836.db2.gz YNDGDUZOJADMKF-LLVKDONJSA-N 2 0 242.363 1.402 20 0 BDADRP CC(C)(C)[C@@H]1C[C@H](N2CC[C@](C)([NH3+])C2)CC[NH2+]1 ZINC001246531752 972455642 /nfs/dbraw/zinc/45/56/42/972455642.db2.gz TZUBOUWKYLXJIR-DYEKYZERSA-N 2 0 239.407 1.576 20 0 BDADRP [NH3+]Cc1cccc(O[C@H]2CC[NH2+]CC[C@@H]2F)c1 ZINC001218016827 959836018 /nfs/dbraw/zinc/83/60/18/959836018.db2.gz GNSJVGDYZUZUHU-STQMWFEESA-N 2 0 238.306 1.614 20 0 BDADRP C[C@H]([NH3+])c1ccc(-n2ccc(C[NH3+])cc2=N)cc1 ZINC001167692759 959838893 /nfs/dbraw/zinc/83/88/93/959838893.db2.gz TYTYWWMWLLRTSK-JTQLQIEISA-N 2 0 242.326 1.435 20 0 BDADRP C[C@@H]1CC([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)C[C@@H](C)O1 ZINC000694759507 959982774 /nfs/dbraw/zinc/98/27/74/959982774.db2.gz ARIBYKWAEDMJFR-VCDKRKBESA-N 2 0 238.375 1.802 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925633467 960483485 /nfs/dbraw/zinc/48/34/85/960483485.db2.gz XERHIRWTRULWLL-LBPRGKRZSA-N 3 0 239.407 1.448 20 0 BDADRP C[C@H](C[C@H](C)O)[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925633263 960483629 /nfs/dbraw/zinc/48/36/29/960483629.db2.gz CTTMYWIZPOICRR-RXGFPQBGSA-N 2 0 240.391 1.512 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000709391231 960556060 /nfs/dbraw/zinc/55/60/60/960556060.db2.gz NIARZCJYSANXPL-DMRUHBNHSA-N 2 0 224.348 1.427 20 0 BDADRP OCc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000709422279 960600851 /nfs/dbraw/zinc/60/08/51/960600851.db2.gz XRTDWDYXKHSRSV-YIONKMFJSA-N 2 0 246.354 1.552 20 0 BDADRP CCSC[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C)C1 ZINC000709481641 960619643 /nfs/dbraw/zinc/61/96/43/960619643.db2.gz HRGFIPQUGJZTIU-GHMZBOCLSA-N 2 0 216.394 1.669 20 0 BDADRP CCSC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C)C1 ZINC000709481645 960619786 /nfs/dbraw/zinc/61/97/86/960619786.db2.gz HRGFIPQUGJZTIU-QWRGUYRKSA-N 2 0 216.394 1.669 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@](C)(O)CC2)CC[NH2+]1 ZINC000709492773 960627243 /nfs/dbraw/zinc/62/72/43/960627243.db2.gz CPLOXASMGQDDCM-FRRDWIJNSA-N 2 0 226.364 1.364 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@](C)(O)CC2)CC[NH2+]1 ZINC000709492768 960628121 /nfs/dbraw/zinc/62/81/21/960628121.db2.gz CPLOXASMGQDDCM-AGIUHOORSA-N 2 0 226.364 1.364 20 0 BDADRP CC(C)[N@@H+]1CCC[C@@H](OC2CC[NH+](C)CC2)C1 ZINC001222503984 960662216 /nfs/dbraw/zinc/66/22/16/960662216.db2.gz MALACXJFCKHKSU-CQSZACIVSA-N 2 0 240.391 1.970 20 0 BDADRP C[C@H]1CC[C@@H](C[NH3+])N1[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246538286 972527325 /nfs/dbraw/zinc/52/73/25/972527325.db2.gz NFMGHZJNZYDPAU-PPCPHDFISA-N 2 0 225.380 1.327 20 0 BDADRP C[NH+]1CCC(OC2CC[NH+](CCF)CC2)CC1 ZINC001222504526 972529831 /nfs/dbraw/zinc/52/98/31/972529831.db2.gz UDJRIZRALCSWBC-UHFFFAOYSA-N 2 0 244.354 1.531 20 0 BDADRP Cc1cc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)[nH]n1 ZINC001203081550 960746693 /nfs/dbraw/zinc/74/66/93/960746693.db2.gz BLNZTZZDIKNXDB-UHFFFAOYSA-N 2 0 248.374 1.636 20 0 BDADRP COC[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000300057555 961005389 /nfs/dbraw/zinc/00/53/89/961005389.db2.gz QGCYCOXIXNZDKB-UPJWGTAASA-N 2 0 226.364 1.472 20 0 BDADRP CO[C@@H]1CC[C@@H](C)[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000687214328 961204356 /nfs/dbraw/zinc/20/43/56/961204356.db2.gz IXAJRMMHBFTJBG-MGPQQGTHSA-N 2 0 240.391 1.875 20 0 BDADRP [NH2+]=C(NCCCC[NH3+])Nc1cnc(C2CC2)nc1 ZINC001167879183 961447578 /nfs/dbraw/zinc/44/75/78/961447578.db2.gz UIWVYCFWHRSYEZ-UHFFFAOYSA-N 2 0 248.334 1.029 20 0 BDADRP C[C@@]1(C[N@@H+]2CC[C@@H](c3ccccn3)C2)CC[NH2+]C1 ZINC000843115643 961874526 /nfs/dbraw/zinc/87/45/26/961874526.db2.gz MZJNLTBFMPNAGE-UKRRQHHQSA-N 2 0 245.370 1.871 20 0 BDADRP Cc1c[nH]c(=O)c(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c1 ZINC001206632360 962121798 /nfs/dbraw/zinc/12/17/98/962121798.db2.gz JTAXJZWCIXBDMI-GFCCVEGCSA-N 2 0 249.358 1.656 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](Nc2ccc3c(n2)CC[NH2+]C3)C1 ZINC001154974614 962928374 /nfs/dbraw/zinc/92/83/74/962928374.db2.gz FHGVFQSRCIYQPV-NEPJUHHUSA-N 2 0 246.358 1.409 20 0 BDADRP C[C@@H]1C[C@@H](CNc2ccc3c(n2)CC[NH2+]C3)C[NH2+]1 ZINC001155095984 962976400 /nfs/dbraw/zinc/97/64/00/962976400.db2.gz VZRMIHWIJILTEX-GHMZBOCLSA-N 2 0 246.358 1.137 20 0 BDADRP Nc1cccc(NC[C@]2(F)CCCC[NH2+]C2)[nH+]1 ZINC001155114415 962979087 /nfs/dbraw/zinc/97/90/87/962979087.db2.gz BTPCFUYURZPMND-LBPRGKRZSA-N 2 0 238.310 1.558 20 0 BDADRP Nc1cccc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)[nH+]1 ZINC001155582847 963118997 /nfs/dbraw/zinc/11/89/97/963118997.db2.gz BEUANFNNVWWWBF-UTLUCORTSA-N 2 0 218.304 1.074 20 0 BDADRP Cc1cc(NC(=[NH2+])NCCCC[NH3+])ncc1F ZINC001157094601 963533363 /nfs/dbraw/zinc/53/33/63/963533363.db2.gz UQQVGZQFEBOAKD-UHFFFAOYSA-N 2 0 239.298 1.204 20 0 BDADRP C[C@@H]1CCC[C@H](C)N1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001157451320 963612778 /nfs/dbraw/zinc/61/27/78/963612778.db2.gz SPJIFCRGSUBPIS-TUAOUCFPSA-N 2 0 241.379 1.232 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC23CC[NH+](CC2)CC3)CCO1 ZINC001168084239 963642661 /nfs/dbraw/zinc/64/26/61/963642661.db2.gz QNKGISPFSIAYTR-OLZOCXBDSA-N 2 0 238.375 1.629 20 0 BDADRP Cc1nc(N2CCC[C@H]([NH3+])[C@H]2C)cc(N(C)C)[nH+]1 ZINC001157734958 963711125 /nfs/dbraw/zinc/71/11/25/963711125.db2.gz ZPOFULNYLKKWLA-KOLCDFICSA-N 2 0 249.362 1.167 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCCN1c1cc(N(C)C)cc[nH+]1 ZINC001157740971 963713905 /nfs/dbraw/zinc/71/39/05/963713905.db2.gz JAVCCNFHCNZFPP-ZYHUDNBSSA-N 2 0 234.347 1.464 20 0 BDADRP CCOc1cc[nH+]c(N2CC[C@@](F)(C[NH3+])C2)c1 ZINC001157812536 963734684 /nfs/dbraw/zinc/73/46/84/963734684.db2.gz CGEQSEZYCNSRAX-GFCCVEGCSA-N 2 0 239.294 1.357 20 0 BDADRP C[C@H]1C[C@@H]([N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)CCO1 ZINC001168111313 963749350 /nfs/dbraw/zinc/74/93/50/963749350.db2.gz APHGLGONNHDNIP-CRWXNKLISA-N 2 0 238.375 1.437 20 0 BDADRP CCN(c1cc(N)c(C)c[nH+]1)[C@H]1CCC[NH2+]C1 ZINC001158205422 963830653 /nfs/dbraw/zinc/83/06/53/963830653.db2.gz QSSQSLILCAELGE-NSHDSACASA-N 2 0 234.347 1.551 20 0 BDADRP C[C@H]([NH3+])c1ccn(-c2cc(C[NH+](C)C)ccn2)n1 ZINC001158355127 963855270 /nfs/dbraw/zinc/85/52/70/963855270.db2.gz FQTIKXFOURHEPF-JTQLQIEISA-N 2 0 245.330 1.349 20 0 BDADRP Cc1c[nH+]c(N2CCC[C@@](C)(C[NH3+])C2)c(N)c1 ZINC001158678480 963900562 /nfs/dbraw/zinc/90/05/62/963900562.db2.gz JRDOEYRHAIWTDY-ZDUSSCGKSA-N 2 0 234.347 1.537 20 0 BDADRP Cc1c[nH+]c(-n2ccc(C[NH3+])c2)cc1N ZINC001158766615 963919043 /nfs/dbraw/zinc/91/90/43/963919043.db2.gz JFCGZSAEYGUVEW-UHFFFAOYSA-N 2 0 202.261 1.222 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000689459046 963923224 /nfs/dbraw/zinc/92/32/24/963923224.db2.gz CDFVYNGPPGUULP-AGIUHOORSA-N 2 0 228.355 1.914 20 0 BDADRP COc1cc[nH+]c(NCC2C[NH+](C)C2)c1 ZINC001159216112 964018287 /nfs/dbraw/zinc/01/82/87/964018287.db2.gz CWIUMOVENKKRSI-UHFFFAOYSA-N 2 0 207.277 1.064 20 0 BDADRP CN(C)c1cccc(NCC2C[NH+](C)C2)[nH+]1 ZINC001159216433 964019606 /nfs/dbraw/zinc/01/96/06/964019606.db2.gz VRAGMFJPQCMFNN-UHFFFAOYSA-N 2 0 220.320 1.121 20 0 BDADRP COc1ccc2c(c1)C[C@H](N1CCC[C@H]([NH3+])C1)C2 ZINC001168234525 964026503 /nfs/dbraw/zinc/02/65/03/964026503.db2.gz BBHQTZGKQOQCAP-UONOGXRCSA-N 2 0 246.354 1.586 20 0 BDADRP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H](C)C[NH3+])C2 ZINC001168245442 964057519 /nfs/dbraw/zinc/05/75/19/964057519.db2.gz YXCUKFQFWTYAMT-GXFFZTMASA-N 2 0 234.343 1.347 20 0 BDADRP c1c(N=C2CCC[NH2+]C2)onc1[C@@H]1CCCC[NH2+]1 ZINC001159313210 964058539 /nfs/dbraw/zinc/05/85/39/964058539.db2.gz JUYMQBUJVQGSOF-NSHDSACASA-N 2 0 248.330 1.778 20 0 BDADRP C[C@@H](Nc1ccc2c([nH+]1)CCC2)[C@H]1C[NH2+]CCO1 ZINC001159495552 964111765 /nfs/dbraw/zinc/11/17/65/964111765.db2.gz GAQDMFIUGFJNQY-ZWNOBZJWSA-N 2 0 247.342 1.359 20 0 BDADRP Cc1c[nH+]c(N[C@H](C)[C@@H]2C[NH2+]CCO2)cc1C ZINC001159503201 964117015 /nfs/dbraw/zinc/11/70/15/964117015.db2.gz UWPZAVPVXHMPBN-NEPJUHHUSA-N 2 0 235.331 1.487 20 0 BDADRP c1cc2c(cc1NC1=CCC[NH2+]C1)CC[NH2+]CC2 ZINC001159679498 964150274 /nfs/dbraw/zinc/15/02/74/964150274.db2.gz SJXQYFBVONXTON-UHFFFAOYSA-N 2 0 243.354 1.664 20 0 BDADRP C[C@@H]([NH3+])CCNc1ccc(C[NH+]2CCCC2)cn1 ZINC001159778664 964191783 /nfs/dbraw/zinc/19/17/83/964191783.db2.gz QHOYOBIDTKTHFM-GFCCVEGCSA-N 2 0 248.374 1.827 20 0 BDADRP C1=C(Nc2ccc([C@H]3CC[NH2+]C3)cc2)C[NH2+]C1 ZINC001159776650 964192110 /nfs/dbraw/zinc/19/21/10/964192110.db2.gz VHDXFWKKTALJSB-LBPRGKRZSA-N 2 0 229.327 1.663 20 0 BDADRP CC(C)c1cc(N[C@@H]([NH3+])CCC[NH3+])ncn1 ZINC001159783374 964193892 /nfs/dbraw/zinc/19/38/92/964193892.db2.gz CGNPEDVNWVHSLI-SNVBAGLBSA-N 2 0 223.324 1.036 20 0 BDADRP Cc1nc(N[C@H]([NH3+])CCC[NH3+])ccc1Cl ZINC001159786186 964197147 /nfs/dbraw/zinc/19/71/47/964197147.db2.gz WVWCSJODILIWJY-VIFPVBQESA-N 2 0 228.727 1.479 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ncc(F)cc1Cl ZINC001159785756 964200142 /nfs/dbraw/zinc/20/01/42/964200142.db2.gz SLKBRYQPJAHMLY-MRVPVSSYSA-N 2 0 232.690 1.310 20 0 BDADRP [NH3+][C@H]1CCC[N@@H+]([C@H]2CCCSC2)CC1 ZINC000725661332 964228056 /nfs/dbraw/zinc/22/80/56/964228056.db2.gz MJYXLKQMIYFGTB-QWRGUYRKSA-N 2 0 214.378 1.695 20 0 BDADRP Cc1c[nH+]c(Nc2ccc(C[NH3+])nc2)cc1N ZINC001160402725 964298489 /nfs/dbraw/zinc/29/84/89/964298489.db2.gz XMXBTYHBVYDZCC-UHFFFAOYSA-N 2 0 229.287 1.570 20 0 BDADRP C[C@H]([NH3+])c1nccn1C1CCC([NH+](C)C)CC1 ZINC001168290368 964383169 /nfs/dbraw/zinc/38/31/69/964383169.db2.gz IIUKRIYRKRMSJK-UNXYVOJBSA-N 2 0 236.363 1.948 20 0 BDADRP Cc1coc(C[NH2+]C2CCC([NH+](C)C)CC2)n1 ZINC001168290765 964387418 /nfs/dbraw/zinc/38/74/18/964387418.db2.gz WDPIQVCETGGQOM-UHFFFAOYSA-N 2 0 237.347 1.945 20 0 BDADRP CCC[C@H](CO)[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168298432 964387519 /nfs/dbraw/zinc/38/75/19/964387519.db2.gz SRILJOUAPNXXFA-OTTFEQOBSA-N 2 0 228.380 1.610 20 0 BDADRP C[NH+](C)C1CCC(Nc2nccnc2C[NH3+])CC1 ZINC001168303759 964396545 /nfs/dbraw/zinc/39/65/45/964396545.db2.gz BVTFPABZCUSYKZ-UHFFFAOYSA-N 2 0 249.362 1.220 20 0 BDADRP C[C@H](C[NH3+])C[N@H+](C)C1CCC([NH+](C)C)CC1 ZINC001168303732 964397225 /nfs/dbraw/zinc/39/72/25/964397225.db2.gz AUGVROVTSDQYBA-PNESKVBLSA-N 3 0 227.396 1.386 20 0 BDADRP CCCOC(=O)CNC1CCC([NH+](C)C)CC1 ZINC001168311895 964413802 /nfs/dbraw/zinc/41/38/02/964413802.db2.gz DILDDKCEIYDPBB-UHFFFAOYSA-N 2 0 242.363 1.402 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2CCOC(C)(C)C2)CC1 ZINC001168314284 964420423 /nfs/dbraw/zinc/42/04/23/964420423.db2.gz BMYRBOGCDNGOEE-UHFFFAOYSA-N 2 0 240.391 1.970 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2CC[C@](C)(CO)C2)CC1 ZINC001168313413 964421916 /nfs/dbraw/zinc/42/19/16/964421916.db2.gz BUZDFCPUCLBNSM-RUXDESIVSA-N 2 0 240.391 1.564 20 0 BDADRP C[C@H]1C[N@@H+](C2CCC([NH+](C)C)CC2)CCO1 ZINC001168315338 964425811 /nfs/dbraw/zinc/42/58/11/964425811.db2.gz UWFAVFSEWAXDKU-HIFPTAJRSA-N 2 0 226.364 1.580 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2CC[C@@H](O)[C@@H](F)C2)CC1 ZINC001168315033 964426625 /nfs/dbraw/zinc/42/66/25/964426625.db2.gz PPMUTMKSWSRNNC-IFWUJCSASA-N 2 0 244.354 1.264 20 0 BDADRP COC1CC[NH+](C2CCC([NH+](C)C)CC2)CC1 ZINC001168314857 964428270 /nfs/dbraw/zinc/42/82/70/964428270.db2.gz GHXIZSMBNVOMKK-UHFFFAOYSA-N 2 0 240.391 1.970 20 0 BDADRP CC(C)[NH+]1CC(Nc2cccc(C[NH3+])n2)C1 ZINC001168317466 964431239 /nfs/dbraw/zinc/43/12/39/964431239.db2.gz MWGLFAPGKFZMAB-UHFFFAOYSA-N 2 0 220.320 1.045 20 0 BDADRP C[NH+](C)CCC[N@H+](C)C1CCC([NH+](C)C)CC1 ZINC001168316345 964436476 /nfs/dbraw/zinc/43/64/76/964436476.db2.gz YCJZYOWKVVOWQZ-UHFFFAOYSA-N 3 0 241.423 1.743 20 0 BDADRP CC[N@H+](C1CN(C)C1)C1CCC([NH+](C)C)CC1 ZINC001168329446 964460217 /nfs/dbraw/zinc/46/02/17/964460217.db2.gz UKGMZASPZIQWHZ-UHFFFAOYSA-N 2 0 239.407 1.495 20 0 BDADRP COC(=O)CC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168358908 964542408 /nfs/dbraw/zinc/54/24/08/964542408.db2.gz XJXUCRCTLXMRRP-UHFFFAOYSA-N 2 0 240.347 1.014 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]CC[C@H](C)[NH+](C)C)C1 ZINC000697910333 964675549 /nfs/dbraw/zinc/67/55/49/964675549.db2.gz SUQWLCYSIBQAJU-RWMBFGLXSA-N 2 0 228.380 1.874 20 0 BDADRP [NH3+]Cc1cn(-c2ccc(C3([NH3+])CCC3)cc2)cn1 ZINC001162304462 964918566 /nfs/dbraw/zinc/91/85/66/964918566.db2.gz SQTSGAXZQMIEMS-UHFFFAOYSA-N 2 0 242.326 1.669 20 0 BDADRP Cc1nc(N(C)C)cc(N[C@H]2C[C@@](C)([NH3+])C2)[nH+]1 ZINC001162325212 964932284 /nfs/dbraw/zinc/93/22/84/964932284.db2.gz SISTYEYLBJMRGJ-WVSHTKLVSA-N 2 0 235.335 1.143 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](Nc2ccc3c(n2)C[NH2+]CC3)C1 ZINC001162393957 964951586 /nfs/dbraw/zinc/95/15/86/964951586.db2.gz NXGYIJGNENSYEG-NEPJUHHUSA-N 2 0 246.358 1.409 20 0 BDADRP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](OC[C@@H]1CCC[N@H+]1C)C2 ZINC001224817960 964992122 /nfs/dbraw/zinc/99/21/22/964992122.db2.gz FBPBKKJAPAILIH-RFQIPJPRSA-N 2 0 238.375 1.722 20 0 BDADRP C[NH+]1CCC(OCCC[NH+]2CCCCC2)CC1 ZINC001224854395 965029386 /nfs/dbraw/zinc/02/93/86/965029386.db2.gz CZUOKLONNAWVKM-UHFFFAOYSA-N 2 0 240.391 1.973 20 0 BDADRP C[C@@H]1C[C@@H](CNc2ccc3c(n2)C[NH2+]CC3)C[NH2+]1 ZINC001162552242 965043016 /nfs/dbraw/zinc/04/30/16/965043016.db2.gz ANQSMZFOFGJYJS-GHMZBOCLSA-N 2 0 246.358 1.137 20 0 BDADRP Cc1[nH+]ccc(NC[C@H]2C[NH2+][C@H](C)C2)c1F ZINC001162558974 965048399 /nfs/dbraw/zinc/04/83/99/965048399.db2.gz HRDVTLOASVHINN-PSASIEDQSA-N 2 0 223.295 1.361 20 0 BDADRP CC[NH+](CC)CCO[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001224921567 965090725 /nfs/dbraw/zinc/09/07/25/965090725.db2.gz AGTIGTQZMUELSS-BTTYYORXSA-N 2 0 240.391 1.970 20 0 BDADRP C[C@H]1[NH2+]CC[C@H]1Nc1cc[nH+]c2c1ccn2C ZINC001162676572 965109022 /nfs/dbraw/zinc/10/90/22/965109022.db2.gz UVZCRRQCVCCYSO-MWLCHTKSSA-N 2 0 230.315 1.736 20 0 BDADRP Cc1c[nH+]c(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)cc1N ZINC001162797882 965186248 /nfs/dbraw/zinc/18/62/48/965186248.db2.gz PPBAYRANGJBEGN-JBLDHEPKSA-N 2 0 230.315 1.158 20 0 BDADRP Cn1c[nH+]cc1N[C@H]1C[NH2+]Cc2ccsc21 ZINC001163226036 965308101 /nfs/dbraw/zinc/30/81/01/965308101.db2.gz ASNQQQPJPUSEMF-VIFPVBQESA-N 2 0 234.328 1.738 20 0 BDADRP [NH3+]C1(CNc2ccc3c(n2)CC[NH2+]C3)CCC1 ZINC001163322754 965330496 /nfs/dbraw/zinc/33/04/96/965330496.db2.gz ZZAAYZVLXZBBSZ-UHFFFAOYSA-N 2 0 232.331 1.021 20 0 BDADRP [NH3+]CCc1ccccc1N[C@H]1C[NH+]2CCC1CC2 ZINC001163394631 965395294 /nfs/dbraw/zinc/39/52/94/965395294.db2.gz JQVUFRBXNQPPMF-HNNXBMFYSA-N 2 0 245.370 1.694 20 0 BDADRP Cc1cc(C[NH3+])nn1-c1ccc(C[NH+](C)C)cn1 ZINC001163979555 965675728 /nfs/dbraw/zinc/67/57/28/965675728.db2.gz CEOVFXGHGDXMBO-UHFFFAOYSA-N 2 0 245.330 1.096 20 0 BDADRP Cc1ccnc(C[N@@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205094664 965729329 /nfs/dbraw/zinc/72/93/29/965729329.db2.gz NSPSRXAYDPQHSY-LBPRGKRZSA-N 2 0 219.332 1.703 20 0 BDADRP Cc1c[nH+]c(N2C[C@@H](C)CC[C@@H]2C[NH3+])cc1N ZINC001164073545 965731691 /nfs/dbraw/zinc/73/16/91/965731691.db2.gz MCNAJOZALGBSPL-GXSJLCMTSA-N 2 0 234.347 1.536 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205095030 965734601 /nfs/dbraw/zinc/73/46/01/965734601.db2.gz SXRVMYWSABDGPY-LBPRGKRZSA-N 3 0 213.369 1.319 20 0 BDADRP CC(C)[N+](CCC[NH3+])=c1ccccn1C ZINC001164116695 965739520 /nfs/dbraw/zinc/73/95/20/965739520.db2.gz VISINZYMWALHPN-UHFFFAOYSA-N 2 0 208.329 1.075 20 0 BDADRP Cc1c(N)cc[nH+]c1N(CCC[NH3+])C(C)C ZINC001164122427 965743493 /nfs/dbraw/zinc/74/34/93/965743493.db2.gz HPEYDXVVTDOUFP-UHFFFAOYSA-N 2 0 222.336 1.536 20 0 BDADRP C([NH2+]C[C@H]1CCCCO1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699209164 965811719 /nfs/dbraw/zinc/81/17/19/965811719.db2.gz HTRGJVODAQHDCE-WTUNAVPPSA-N 2 0 238.375 1.676 20 0 BDADRP [NH3+][C@H]1CCN(c2cc(N3CCCCC3)cc[nH+]2)C1 ZINC001164279187 965821101 /nfs/dbraw/zinc/82/11/01/965821101.db2.gz OCPHRHPRQYXFKB-LBPRGKRZSA-N 2 0 246.358 1.609 20 0 BDADRP [NH3+]Cc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)cc1 ZINC001205109613 965831355 /nfs/dbraw/zinc/83/13/55/965831355.db2.gz ITHVDRXWSHEOJP-CQSZACIVSA-N 3 0 233.359 1.459 20 0 BDADRP CC[C@H]1COC[C@H]1[NH2+]CCn1ccnc1C ZINC000699528296 965942864 /nfs/dbraw/zinc/94/28/64/965942864.db2.gz XUMFEUQOCWCBQK-NWDGAFQWSA-N 2 0 223.320 1.206 20 0 BDADRP CC[C@@H]1COC[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000699535679 965947718 /nfs/dbraw/zinc/94/77/18/965947718.db2.gz WZEMDHYFXJAHQP-CHWSQXEVSA-N 2 0 226.364 1.343 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H]2COC[C@@H]2CC)CC1 ZINC000699546789 965965157 /nfs/dbraw/zinc/96/51/57/965965157.db2.gz YFBFQVWRKKHEMG-JSGCOSHPSA-N 2 0 240.391 1.875 20 0 BDADRP CCOc1cc[nH+]c(N2C[C@@H]3C[NH+](C)C[C@H]3C2)c1 ZINC001165146186 965971560 /nfs/dbraw/zinc/97/15/60/965971560.db2.gz CNPVAWCNQJNXGP-RYUDHWBXSA-N 2 0 247.342 1.478 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2CC[C@@](C)([NH3+])C2)CC1 ZINC000715227469 965980882 /nfs/dbraw/zinc/98/08/82/965980882.db2.gz LGLGJSWAGBIEQB-WXRRBKDZSA-N 3 0 225.380 1.282 20 0 BDADRP c1cc(CN2CC[C@H]3[NH2+]CC[C@H]32)cc2c1C[NH2+]C2 ZINC001235078235 966002009 /nfs/dbraw/zinc/00/20/09/966002009.db2.gz IUGNDZDAEOLOPS-HUUCEWRRSA-N 2 0 243.354 1.226 20 0 BDADRP [NH3+][C@@]12C[C@@H]1CCN(c1[nH+]ccc3[nH]ccc31)C2 ZINC001165325546 966050781 /nfs/dbraw/zinc/05/07/81/966050781.db2.gz XCDZEZDJWIQBSD-TVQRCGJNSA-N 2 0 228.299 1.490 20 0 BDADRP C[NH+](C)C1CCC([NH2+]CCCC[NH3+])CC1 ZINC000715255010 966059420 /nfs/dbraw/zinc/05/94/20/966059420.db2.gz JCOKOCLZVGZNSZ-UHFFFAOYSA-N 3 0 213.369 1.188 20 0 BDADRP c1cc2c[nH+]c(N3CCC[C@H]4[NH2+]C[C@@H]43)cc2[nH]1 ZINC001165388183 966079451 /nfs/dbraw/zinc/07/94/51/966079451.db2.gz VQYXIXRTFFLVBL-PWSUYJOCSA-N 2 0 228.299 1.504 20 0 BDADRP C[C@@H]1COC[C@@H]1[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000699773178 966081811 /nfs/dbraw/zinc/08/18/11/966081811.db2.gz GBCAESTZWRYOFE-HYNSBDGHSA-N 2 0 232.327 1.756 20 0 BDADRP Cc1c[nH+]c(N2CCC(C3C[NH2+]C3)CC2)c(N)c1 ZINC001165409789 966098468 /nfs/dbraw/zinc/09/84/68/966098468.db2.gz SIBOFEYBJLUBDZ-UHFFFAOYSA-N 2 0 246.358 1.408 20 0 BDADRP CCC[C@H]1CN(C[C@@H]([NH3+])c2ccccc2)CC[NH2+]1 ZINC001236176657 966301048 /nfs/dbraw/zinc/30/10/48/966301048.db2.gz AEDBPUAXRVZPBT-LSDHHAIUSA-N 2 0 247.386 1.760 20 0 BDADRP CN(CC[C@@H]1CCC[NH2+]C1)[C@]1(C)CCC[NH2+]C1 ZINC001236200738 966308207 /nfs/dbraw/zinc/30/82/07/966308207.db2.gz JHQFVJPMEXZPDO-UONOGXRCSA-N 2 0 239.407 1.450 20 0 BDADRP Cc1cc(C)[nH+]c(N2CC[C@H]([NH3+])C(F)(F)C2)c1 ZINC001166959220 966486183 /nfs/dbraw/zinc/48/61/83/966486183.db2.gz BHVTZPBLYHFWOG-JTQLQIEISA-N 2 0 241.285 1.871 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237384727 966653505 /nfs/dbraw/zinc/65/35/05/966653505.db2.gz XSBIGMBTGCZHEW-KBPBESRZSA-N 3 0 239.407 1.579 20 0 BDADRP CCCCC[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205210512 966847064 /nfs/dbraw/zinc/84/70/64/966847064.db2.gz PGCPGQZXSYGKMM-GFCCVEGCSA-N 2 0 214.353 1.352 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@H]2C[C@H](O)C2(C)C)CC1 ZINC000715490062 966919864 /nfs/dbraw/zinc/91/98/64/966919864.db2.gz ITZHLYUAONPCDL-TYUFSLCMSA-N 2 0 240.391 1.608 20 0 BDADRP CCC1(Nc2ccc(C[NH+](C)C)cn2)C[NH2+]C1 ZINC001168583560 966930610 /nfs/dbraw/zinc/93/06/10/966930610.db2.gz NDZFSCPRVDCQJY-UHFFFAOYSA-N 2 0 234.347 1.307 20 0 BDADRP C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ccnc(C[NH3+])c1 ZINC001168601798 966969139 /nfs/dbraw/zinc/96/91/39/966969139.db2.gz WLBLYFFKZWQMRL-KBPBESRZSA-N 2 0 248.374 1.825 20 0 BDADRP Cc1cnc(C[NH2+]C2CCC([NH+](C)C)CC2)nc1 ZINC000715531470 967067843 /nfs/dbraw/zinc/06/78/43/967067843.db2.gz HHVLAUBYOSMGPS-UHFFFAOYSA-N 2 0 248.374 1.747 20 0 BDADRP [NH3+]CC1CC[NH+](CC[C@@H]2CCCC[NH2+]2)CC1 ZINC001205026207 967141976 /nfs/dbraw/zinc/14/19/76/967141976.db2.gz OPUYSADJBVNFHS-ZDUSSCGKSA-N 3 0 225.380 1.189 20 0 BDADRP C[C@@]1([NH3+])CCN(CCC[NH2+]C2CCCCC2)C1 ZINC001204762751 967154743 /nfs/dbraw/zinc/15/47/43/967154743.db2.gz CBXFRQAFVXAKOK-CQSZACIVSA-N 2 0 239.407 1.722 20 0 BDADRP CC[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000715560997 967185299 /nfs/dbraw/zinc/18/52/99/967185299.db2.gz GDTCHPVFXRTYLB-IJLUTSLNSA-N 2 0 214.353 1.220 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000715562825 967185480 /nfs/dbraw/zinc/18/54/80/967185480.db2.gz RIJOGBPEROQLCX-RWMBFGLXSA-N 2 0 228.380 1.466 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@H](NC2CC[NH+](C)CC2)C1 ZINC000715579046 967188364 /nfs/dbraw/zinc/18/83/64/967188364.db2.gz GVSYUNXWBSAQKG-UONOGXRCSA-N 3 0 239.407 1.543 20 0 BDADRP C[NH+](C)[C@H]1CCC[C@@H](NC2CC[NH+](C)CC2)C1 ZINC000715579044 967188639 /nfs/dbraw/zinc/18/86/39/967188639.db2.gz GVSYUNXWBSAQKG-KGLIPLIRSA-N 3 0 239.407 1.543 20 0 BDADRP CC[N@@H+]1CC[C@H](N[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000715580901 967191692 /nfs/dbraw/zinc/19/16/92/967191692.db2.gz OEGJTRHLNWQSNI-IHRRRGAJSA-N 2 0 239.407 1.543 20 0 BDADRP [NH3+]C[C@H]1CCCCN1CC[C@H]1CCCC[NH2+]1 ZINC001204925364 967239839 /nfs/dbraw/zinc/23/98/39/967239839.db2.gz RSFAHHHTRZVFIL-CHWSQXEVSA-N 2 0 225.380 1.332 20 0 BDADRP C[NH+]1CCC(C[N@H+](CCO)C2CCCC2)CC1 ZINC000691350260 967261613 /nfs/dbraw/zinc/26/16/13/967261613.db2.gz MXJHAOPQXVMDMV-UHFFFAOYSA-N 2 0 240.391 1.565 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2ccncc2F)CC1 ZINC001205033394 967295721 /nfs/dbraw/zinc/29/57/21/967295721.db2.gz DXZGGRSXMMHUQH-UHFFFAOYSA-N 2 0 223.295 1.391 20 0 BDADRP [NH3+]CC1CC[NH+](CC2CCSCC2)CC1 ZINC001205026092 967299268 /nfs/dbraw/zinc/29/92/68/967299268.db2.gz JEKQWQIHSXXIJF-UHFFFAOYSA-N 2 0 228.405 1.800 20 0 BDADRP CCOc1cncc(C[NH+]2CCC(C[NH3+])CC2)c1 ZINC001205053590 967306402 /nfs/dbraw/zinc/30/64/02/967306402.db2.gz PVVWCDWFYXMECH-UHFFFAOYSA-N 2 0 249.358 1.651 20 0 BDADRP C[C@H]1CC[C@@H](CN)[N@@H+]1CCC12CC([NH3+])(C1)C2 ZINC001205058254 967314804 /nfs/dbraw/zinc/31/48/04/967314804.db2.gz HWUGZHSLVMNMMK-ZSVAQUKISA-N 2 0 223.364 1.070 20 0 BDADRP C[C@H]1CC[C@@H](C[NH3+])N1Cc1ccc2cc[nH]c2n1 ZINC001205076891 967328303 /nfs/dbraw/zinc/32/83/03/967328303.db2.gz YPNABCCQGSSKSY-GWCFXTLKSA-N 2 0 244.342 1.875 20 0 BDADRP [NH3+][C@H]1CCC[N@H+](CCC23CC([NH3+])(C2)C3)CC1 ZINC001205088687 967337911 /nfs/dbraw/zinc/33/79/11/967337911.db2.gz RNOPPEOQFGILAK-HIFPTAJRSA-N 3 0 223.364 1.071 20 0 BDADRP CC1(C)OCC(C[N@@H+]2CCC[C@@H]([NH3+])CC2)CO1 ZINC001205095562 967339126 /nfs/dbraw/zinc/33/91/26/967339126.db2.gz YWJGFGYYAIQQRV-GFCCVEGCSA-N 2 0 242.363 1.199 20 0 BDADRP [NH3+][C@@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC001205093474 967341150 /nfs/dbraw/zinc/34/11/50/967341150.db2.gz AYJORKNJHDAPOC-CHWSQXEVSA-N 3 0 225.380 1.189 20 0 BDADRP [NH3+][C@H]1CCC[N@H+](Cc2ccc3nccn3c2)CC1 ZINC001205109302 967352500 /nfs/dbraw/zinc/35/25/00/967352500.db2.gz DROJSEMHWMNQHC-ZDUSSCGKSA-N 2 0 244.342 1.648 20 0 BDADRP C[C@H]1C[N@H+](CC2Cc3ccccc3C2)C[C@H]1C[NH3+] ZINC001205131372 967375534 /nfs/dbraw/zinc/37/55/34/967375534.db2.gz WLMXLLHIKLJDOU-BLLLJJGKSA-N 2 0 244.382 1.928 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccc(N(C)C)nc2)C[C@H]1C[NH3+] ZINC001205140942 967385898 /nfs/dbraw/zinc/38/58/98/967385898.db2.gz UBYFMEXMUTUGGG-WCQYABFASA-N 2 0 248.374 1.174 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@H]1C[NH3+] ZINC001205140921 967386773 /nfs/dbraw/zinc/38/67/73/967386773.db2.gz RUVCXDAEDIHLTM-GXSJLCMTSA-N 2 0 246.314 1.249 20 0 BDADRP COc1cccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1N ZINC001205145813 967388712 /nfs/dbraw/zinc/38/87/12/967388712.db2.gz IUFXUHJHGXAATJ-CMPLNLGQSA-N 2 0 249.358 1.304 20 0 BDADRP Cc1cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc(C)n1 ZINC001205146395 967391828 /nfs/dbraw/zinc/39/18/28/967391828.db2.gz UHNMUXWRVPZODH-IINYFYTJSA-N 2 0 233.359 1.725 20 0 BDADRP Cc1cnc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(C)c1 ZINC001205156496 967401670 /nfs/dbraw/zinc/40/16/70/967401670.db2.gz YIDIFGRTCQTQFY-QWHCGFSZSA-N 2 0 233.359 1.725 20 0 BDADRP C[C@@]1([NH3+])CCCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC001205255529 967444374 /nfs/dbraw/zinc/44/43/74/967444374.db2.gz JYDSDLQNJUVLAH-QWHCGFSZSA-N 2 0 225.380 1.189 20 0 BDADRP C[C@@]1([NH3+])CCC[N@H+](CC2CCOCC2)CC1 ZINC001205255484 967445912 /nfs/dbraw/zinc/44/59/12/967445912.db2.gz JMEGHXFFFJMWJO-CYBMUJFWSA-N 2 0 226.364 1.616 20 0 BDADRP CCC1(C[N@@H+]2CCC[C@](C)([NH3+])CC2)COC1 ZINC001205255866 967446585 /nfs/dbraw/zinc/44/65/85/967446585.db2.gz MKEREAGPEFBTNG-LBPRGKRZSA-N 2 0 226.364 1.616 20 0 BDADRP C[C@]1([NH3+])CCC[N@H+](Cc2cccc(N)c2)CC1 ZINC001205280767 967470689 /nfs/dbraw/zinc/47/06/89/967470689.db2.gz IKXCZCCULCROAG-AWEZNQCLSA-N 2 0 233.359 1.972 20 0 BDADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2cn[nH]c2)CC1 ZINC001205546775 967656564 /nfs/dbraw/zinc/65/65/64/967656564.db2.gz YRARCHIGMDRYLO-NSHDSACASA-N 2 0 226.299 1.063 20 0 BDADRP Cn1cccc1C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205546186 967692284 /nfs/dbraw/zinc/69/22/84/967692284.db2.gz RJDCWSZUWMDQEI-ZDUSSCGKSA-N 2 0 239.338 1.678 20 0 BDADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cnoc2)CC1 ZINC001205545499 967692350 /nfs/dbraw/zinc/69/23/50/967692350.db2.gz IEZMRSAEURCNMW-LLVKDONJSA-N 2 0 227.283 1.328 20 0 BDADRP COCCCC[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205545631 967693085 /nfs/dbraw/zinc/69/30/85/967693085.db2.gz KUUUSKGFPMUPBY-GFCCVEGCSA-N 2 0 232.343 1.566 20 0 BDADRP C[C@@H]1CC[N@H+](CCCCC[NH3+])CC[C@@H]1C[NH3+] ZINC001205602798 967718312 /nfs/dbraw/zinc/71/83/12/967718312.db2.gz MOUGQKVKWIXZKG-CHWSQXEVSA-N 3 0 227.396 1.422 20 0 BDADRP Cc1nccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)n1 ZINC001205618405 967724563 /nfs/dbraw/zinc/72/45/63/967724563.db2.gz VTDZUAHQULKGDM-YPMHNXCESA-N 2 0 248.374 1.592 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2cscn2)CC[C@H]1C[NH3+] ZINC001205615799 967724694 /nfs/dbraw/zinc/72/46/94/967724694.db2.gz BDHRUHSTZOYYSS-MNOVXSKESA-N 2 0 239.388 1.950 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2cnco2)CC[C@H]1C[NH3+] ZINC001205627606 967734319 /nfs/dbraw/zinc/73/43/19/967734319.db2.gz RDLHOQYTZBBGRH-MNOVXSKESA-N 2 0 223.320 1.481 20 0 BDADRP [NH3+]C[C@]1(O)CCCC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC001205664580 967758138 /nfs/dbraw/zinc/75/81/38/967758138.db2.gz OIXWQCQORBCETC-ZIAGYGMSSA-N 2 0 238.375 1.518 20 0 BDADRP Cc1cncc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)c1 ZINC001205672820 967763851 /nfs/dbraw/zinc/76/38/51/967763851.db2.gz LWQJIRASMKQTDC-CQSZACIVSA-N 2 0 249.358 1.066 20 0 BDADRP [NH3+]Cc1cccc(C[NH+]2CCC(C[NH3+])CC2)c1 ZINC001205054182 967780286 /nfs/dbraw/zinc/78/02/86/967780286.db2.gz ZFONPMSPBYTAFA-UHFFFAOYSA-N 3 0 233.359 1.316 20 0 BDADRP [NH3+]CCc1ccccc1N[C@H]1CCC[C@H]([NH3+])C1 ZINC001162402444 967828920 /nfs/dbraw/zinc/82/89/20/967828920.db2.gz RRVADSDZSWCQCV-STQMWFEESA-N 2 0 233.359 1.870 20 0 BDADRP C[C@@H]1CCN(C[C@H]([NH3+])Cc2ccccc2)C[C@@H]1[NH3+] ZINC001205863436 967861681 /nfs/dbraw/zinc/86/16/81/967861681.db2.gz SRUODOTXMOKMCN-YUELXQCFSA-N 2 0 247.386 1.226 20 0 BDADRP C[C@@H]1CCN(Cc2ccc(C[NH3+])cc2)C[C@@H]1[NH3+] ZINC001205872174 967869104 /nfs/dbraw/zinc/86/91/04/967869104.db2.gz GKIAYEPOGHLCQU-RISCZKNCSA-N 2 0 233.359 1.314 20 0 BDADRP [NH3+]CCCC[N@@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001205895536 967876041 /nfs/dbraw/zinc/87/60/41/967876041.db2.gz IBJGTGMVBQLQFC-RKDXNWHRSA-N 2 0 242.260 1.805 20 0 BDADRP C[C@H]1C[N@H+](CCCC[NH3+])CCC1(F)F ZINC001205902252 967879131 /nfs/dbraw/zinc/87/91/31/967879131.db2.gz JHTAUAKJXQDNFH-VIFPVBQESA-N 2 0 206.280 1.702 20 0 BDADRP CCC[N@H+](CC1CC(OC)C1)C1CC[NH2+]CC1 ZINC000703888197 967881279 /nfs/dbraw/zinc/88/12/79/967881279.db2.gz YCDFAWGNAZARQH-UHFFFAOYSA-N 2 0 240.391 1.875 20 0 BDADRP CCc1ccccc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205959664 967909558 /nfs/dbraw/zinc/90/95/58/967909558.db2.gz RPXYFERFSRACSJ-ZIAGYGMSSA-N 2 0 234.343 1.143 20 0 BDADRP C[C@H]1C[N@H+](Cc2cccc(=O)[nH]2)CCC[C@H]1C[NH3+] ZINC001205991342 967943633 /nfs/dbraw/zinc/94/36/33/967943633.db2.gz ADSBEFSSLKJBFZ-RYUDHWBXSA-N 2 0 249.358 1.594 20 0 BDADRP C[C@@H]1C[N@H+](Cc2nccs2)CCC[C@H]1C[NH3+] ZINC001205992924 967947203 /nfs/dbraw/zinc/94/72/03/967947203.db2.gz GFIAOJLOJIKNQU-MNOVXSKESA-N 2 0 239.388 1.950 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cnccc2N)CCC[C@@H]1C[NH3+] ZINC001205996598 967951392 /nfs/dbraw/zinc/95/13/92/967951392.db2.gz XONNXTJFDITQNB-VXGBXAGGSA-N 2 0 248.374 1.301 20 0 BDADRP Cc1cnc(C[NH+]2CCC(CC[NH3+])CC2)cn1 ZINC000710458703 967955529 /nfs/dbraw/zinc/95/55/29/967955529.db2.gz YWZBLTNYRKICEC-UHFFFAOYSA-N 2 0 234.347 1.346 20 0 BDADRP Cc1nccnc1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206003696 967958955 /nfs/dbraw/zinc/95/89/55/967958955.db2.gz LJITUMPZFVQSEM-WCQYABFASA-N 2 0 248.374 1.592 20 0 BDADRP C[C@@H]1CCN(CC[C@@H]2CCCC[NH2+]2)C[C@H]1[NH3+] ZINC001206036810 967988398 /nfs/dbraw/zinc/98/83/98/967988398.db2.gz QONLOBRTWLTEQW-FRRDWIJNSA-N 2 0 225.380 1.188 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2ccc3c(c2)NCC3)CC1 ZINC001205058519 968005110 /nfs/dbraw/zinc/00/51/10/968005110.db2.gz OPTXAEHNJAZSND-UHFFFAOYSA-N 2 0 245.370 1.825 20 0 BDADRP CN(CC[NH+](C)C)c1cc(N2CCCC2)cc[nH+]1 ZINC001163590049 968076768 /nfs/dbraw/zinc/07/67/68/968076768.db2.gz KVKVAGOVIZSXBC-UHFFFAOYSA-N 2 0 248.374 1.680 20 0 BDADRP CC(C)N(CCC[NH3+])c1[nH+]ccc2c1CCN2 ZINC001164123194 968174095 /nfs/dbraw/zinc/17/40/95/968174095.db2.gz ZRODOUGALJWLBN-UHFFFAOYSA-N 2 0 234.347 1.613 20 0 BDADRP C[C@@H]1C[NH2+]CCN(CC[C@H]2CCCC[NH2+]2)C1 ZINC001206269856 968187545 /nfs/dbraw/zinc/18/75/45/968187545.db2.gz WUVDSGFOOCSZHT-CHWSQXEVSA-N 2 0 225.380 1.060 20 0 BDADRP Cc1cnc(N2C[C@H](C[NH3+])CC[C@@H]2C)c(C[NH3+])c1 ZINC001164467664 968237301 /nfs/dbraw/zinc/23/73/01/968237301.db2.gz LAKNXKDKJATWCT-RYUDHWBXSA-N 2 0 248.374 1.412 20 0 BDADRP CN(c1ccc(C[N@H+](C)C2CC2)cn1)C1C[NH2+]C1 ZINC001165127283 968262832 /nfs/dbraw/zinc/26/28/32/968262832.db2.gz QTIAVOYMDYPEDY-UHFFFAOYSA-N 2 0 246.358 1.084 20 0 BDADRP CCCC[C@H](CC)C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206507054 968346871 /nfs/dbraw/zinc/34/68/71/968346871.db2.gz YPHOMGXKAWJBQP-AVGNSLFASA-N 2 0 228.380 1.454 20 0 BDADRP Nc1cc(Nc2cc[nH+]c(CO)c2)cc[nH+]1 ZINC001206536186 968363055 /nfs/dbraw/zinc/36/30/55/968363055.db2.gz YHNBNIMFUSZJJK-UHFFFAOYSA-N 2 0 216.244 1.295 20 0 BDADRP CC(C)c1nc(CC[N@H+](C)CCCC[NH3+])no1 ZINC001206541849 968365801 /nfs/dbraw/zinc/36/58/01/968365801.db2.gz LPQUIZCWIYFDIY-UHFFFAOYSA-N 2 0 240.351 1.406 20 0 BDADRP C[C@@]1(C[NH3+])CCCC[N@H+](C[C@H]2CCOC2)C1 ZINC001206542183 968367737 /nfs/dbraw/zinc/36/77/37/968367737.db2.gz UNKLUCSFJRONIV-OLZOCXBDSA-N 2 0 226.364 1.474 20 0 BDADRP CC[NH2+]CCN1CCCC[C@](C)(C[NH3+])C1 ZINC001206541867 968369732 /nfs/dbraw/zinc/36/97/32/968369732.db2.gz MFIHXCSRGFJQIT-GFCCVEGCSA-N 2 0 213.369 1.047 20 0 BDADRP CN(c1cc[nH+]c(N)c1)c1cc(N)cc[nH+]1 ZINC001206542727 968373004 /nfs/dbraw/zinc/37/30/04/968373004.db2.gz GFEWAHORPNSIHD-UHFFFAOYSA-N 2 0 215.260 1.409 20 0 BDADRP CCc1cc(CN2CCCC[C@@H](C[NH3+])C2)on1 ZINC001206606564 968415947 /nfs/dbraw/zinc/41/59/47/968415947.db2.gz PIESYEWJKVNSHH-NSHDSACASA-N 2 0 237.347 1.798 20 0 BDADRP [NH3+]C[C@H]1CCCC[N@H+](CC2(F)CC[NH2+]CC2)C1 ZINC001206606840 968416485 /nfs/dbraw/zinc/41/64/85/968416485.db2.gz UUANOJRZPBFCFK-GFCCVEGCSA-N 2 0 243.370 1.139 20 0 BDADRP COc1cnccc1CN1CCCC[C@H](C[NH3+])C1 ZINC001206615148 968417998 /nfs/dbraw/zinc/41/79/98/968417998.db2.gz DBWCPSUHUVJSQM-GFCCVEGCSA-N 2 0 249.358 1.651 20 0 BDADRP CCCC[C@H](O)C[N@H+](C)CC1CC[NH+](C)CC1 ZINC001252090499 968511037 /nfs/dbraw/zinc/51/10/37/968511037.db2.gz KVIBGODMTVUVLP-AWEZNQCLSA-N 2 0 242.407 1.811 20 0 BDADRP C[N@@H+](Cc1ccc[nH]c1=O)CC1CC[NH+](C)CC1 ZINC001207006492 968543444 /nfs/dbraw/zinc/54/34/44/968543444.db2.gz IEOGVANQLDZGOE-UHFFFAOYSA-N 2 0 249.358 1.561 20 0 BDADRP CCCC[C@H](O)C[NH2+]CCc1[nH]cnc1C ZINC001252107916 968589707 /nfs/dbraw/zinc/58/97/07/968589707.db2.gz KANVBGAHZIOCLQ-NSHDSACASA-N 2 0 225.336 1.401 20 0 BDADRP CCCC[C@@H](O)C[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC001252113364 968598575 /nfs/dbraw/zinc/59/85/75/968598575.db2.gz YPWFWTUZZZVAHP-CHWSQXEVSA-N 2 0 228.380 1.611 20 0 BDADRP Cc1noc(C)c1C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001207139544 968651574 /nfs/dbraw/zinc/65/15/74/968651574.db2.gz WAZCCGWYJCOOEG-UHFFFAOYSA-N 2 0 249.358 1.819 20 0 BDADRP CCN(Cc1ccnc(C)n1)C1CC[NH+](C)CC1 ZINC001207165956 968676873 /nfs/dbraw/zinc/67/68/73/968676873.db2.gz QGKROPMRTUIAAD-UHFFFAOYSA-N 2 0 248.374 1.701 20 0 BDADRP C[C@@H]1C[C@@H](O)C[N@@H+]1CC(C)(C)C[NH+](C)C ZINC001207275252 968704995 /nfs/dbraw/zinc/70/49/95/968704995.db2.gz LHSARRAOLYICAX-GHMZBOCLSA-N 2 0 214.353 1.029 20 0 BDADRP Cn1ncc2c1CC[N@H+](CC1CC[NH+](C)CC1)C2 ZINC001207399173 968753142 /nfs/dbraw/zinc/75/31/42/968753142.db2.gz GDKJJLBOJQVGNA-UHFFFAOYSA-N 2 0 248.374 1.120 20 0 BDADRP C[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)CC[C@@H]1O ZINC001207436542 968767713 /nfs/dbraw/zinc/76/77/13/968767713.db2.gz NKPGRTHOFDYJAK-YPMHNXCESA-N 2 0 226.364 1.079 20 0 BDADRP CC(=O)[C@@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC001207443014 968773922 /nfs/dbraw/zinc/77/39/22/968773922.db2.gz KSUGBDDXKBTQIA-LBPRGKRZSA-N 2 0 210.321 1.039 20 0 BDADRP F[C@@H]1CSC2(C[NH+](CC3CC[NH2+]CC3)C2)C1 ZINC001207439093 968774716 /nfs/dbraw/zinc/77/47/16/968774716.db2.gz MHOQFHNAOUQHER-NSHDSACASA-N 2 0 244.379 1.515 20 0 BDADRP CN1CCC([N@H+](C)C[C@H]2CCCOC2)CC1 ZINC001207457844 968777613 /nfs/dbraw/zinc/77/76/13/968777613.db2.gz HVNMRCAVPOWLPB-GFCCVEGCSA-N 2 0 226.364 1.439 20 0 BDADRP C[NH+]1CCC(CC[N@@H+]2CC[C@H](F)[C@H](O)C2)CC1 ZINC001207479761 968793841 /nfs/dbraw/zinc/79/38/41/968793841.db2.gz MYQMOLUBOXYVPR-QWHCGFSZSA-N 2 0 244.354 1.123 20 0 BDADRP C[NH+]1CCC(CC[N@@H+]2CCOCC23CC3)CC1 ZINC001207487654 968803610 /nfs/dbraw/zinc/80/36/10/968803610.db2.gz PVHPOLSXLLVRLR-UHFFFAOYSA-N 2 0 238.375 1.583 20 0 BDADRP Cc1nc(N(C)C)cc(N[C@@H]2CCC[C@@H]([NH3+])C2)[nH+]1 ZINC001154977068 968829246 /nfs/dbraw/zinc/82/92/46/968829246.db2.gz MSYOQEOMOKVPJY-GHMZBOCLSA-N 2 0 249.362 1.533 20 0 BDADRP C[C@@H]1C[C@@H](CNc2cc(N(C)C)cc[nH+]2)C[NH2+]1 ZINC001155101002 968892600 /nfs/dbraw/zinc/89/26/00/968892600.db2.gz DVVFYAGINDFNAJ-GHMZBOCLSA-N 2 0 234.347 1.558 20 0 BDADRP COC1CC([NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)C1 ZINC001207836613 968895999 /nfs/dbraw/zinc/89/59/99/968895999.db2.gz KARBTFVSPVSBSF-PZVBLHEMSA-N 2 0 224.348 1.094 20 0 BDADRP CCC[C@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001252799776 968985417 /nfs/dbraw/zinc/98/54/17/968985417.db2.gz ZFTHNAAVHMWNDL-RNJOBUHISA-N 2 0 226.364 1.362 20 0 BDADRP c1cc2c[nH+]c(NC[C@@]34C[NH2+][C@@H](CO3)C4)cc2[nH]1 ZINC001155537182 968997842 /nfs/dbraw/zinc/99/78/42/968997842.db2.gz CXWWYSMORHQFGP-ZWNOBZJWSA-N 2 0 244.298 1.106 20 0 BDADRP COCC1C[NH+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208099952 968997786 /nfs/dbraw/zinc/99/77/86/968997786.db2.gz BXEONRDDKFVAHL-UHFFFAOYSA-N 2 0 226.364 1.297 20 0 BDADRP C[NH+]1CCC(C)(C[N@@H+]2CC[C@@](C)(CO)C2)CC1 ZINC001208108108 969000832 /nfs/dbraw/zinc/00/08/32/969000832.db2.gz QRFCBEPCPJEAIU-CQSZACIVSA-N 2 0 240.391 1.423 20 0 BDADRP C[C@@H]1[C@H](CO)CC[N@@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208108365 969001643 /nfs/dbraw/zinc/00/16/43/969001643.db2.gz UWWNYTLRIXYWTD-OLZOCXBDSA-N 2 0 240.391 1.421 20 0 BDADRP C[N@H+](CC1(C)CC[NH+](C)CC1)C1CCOCC1 ZINC001208105308 969002628 /nfs/dbraw/zinc/00/26/28/969002628.db2.gz UFIQLNHIUXMAKW-UHFFFAOYSA-N 2 0 240.391 1.829 20 0 BDADRP C[NH+]1CCC(C)(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001208108119 969002946 /nfs/dbraw/zinc/00/29/46/969002946.db2.gz QVUCSPBTXUBZGU-BETUJISGSA-N 2 0 238.375 1.582 20 0 BDADRP CO[C@@H](C)C1C[NH+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208110448 969006367 /nfs/dbraw/zinc/00/63/67/969006367.db2.gz CZNUOPFIDONABL-LBPRGKRZSA-N 2 0 240.391 1.685 20 0 BDADRP C[NH+](C)CCN1CC[NH+](C2CCCCC2)CC1 ZINC001208124399 969014247 /nfs/dbraw/zinc/01/42/47/969014247.db2.gz PMMOUGJUBGDGJX-UHFFFAOYSA-N 2 0 239.407 1.498 20 0 BDADRP C[NH+](C)CCN1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001208126965 969018305 /nfs/dbraw/zinc/01/83/05/969018305.db2.gz NMVBRKZULMEGKC-CQSZACIVSA-N 2 0 239.407 1.498 20 0 BDADRP CN(CC[NH+](C)C)CC1(C[NH+](C)C)CCCC1 ZINC001208181971 969112748 /nfs/dbraw/zinc/11/27/48/969112748.db2.gz GHEWBBUNOLMAMX-UHFFFAOYSA-N 2 0 241.423 1.602 20 0 BDADRP CC[NH+]1CCC(C[NH+]2CC(C)(CO)C2)CC1 ZINC001208593247 969146365 /nfs/dbraw/zinc/14/63/65/969146365.db2.gz RJBZHINAKDFAIL-UHFFFAOYSA-N 2 0 226.364 1.033 20 0 BDADRP CC[C@@H](C)C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253384534 969148429 /nfs/dbraw/zinc/14/84/29/969148429.db2.gz XRJRMPWDJRLKSM-MNOVXSKESA-N 2 0 216.369 1.371 20 0 BDADRP CC[NH+]1CCC(C[NH+]2CC3(CC(O)C3)C2)CC1 ZINC001208595929 969151412 /nfs/dbraw/zinc/15/14/12/969151412.db2.gz YQCCQVBGCCLRPJ-UHFFFAOYSA-N 2 0 238.375 1.175 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@H](O)C2)CC1 ZINC001208593456 969151609 /nfs/dbraw/zinc/15/16/09/969151609.db2.gz SSRLERCJXJHEPL-ZDUSSCGKSA-N 2 0 226.364 1.175 20 0 BDADRP CC[NH+]1CCC(C[NH+]2CC([C@H](C)OC)C2)CC1 ZINC001208603236 969155263 /nfs/dbraw/zinc/15/52/63/969155263.db2.gz WXXOMFVPAOFDRS-LBPRGKRZSA-N 2 0 240.391 1.685 20 0 BDADRP C[C@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)C1CCCC1 ZINC001253406918 969163990 /nfs/dbraw/zinc/16/39/90/969163990.db2.gz YGMJHFBKTDURDW-AAEUAGOBSA-N 2 0 242.407 1.904 20 0 BDADRP C[NH+](C)C[C@@H]1CCCN1C[C@H]1CCC[N@H+](C)C1 ZINC001208608009 969165956 /nfs/dbraw/zinc/16/59/56/969165956.db2.gz FCVSASGANSMMAX-KBPBESRZSA-N 2 0 239.407 1.354 20 0 BDADRP CCCCC[C@@H](O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001253537595 969214730 /nfs/dbraw/zinc/21/47/30/969214730.db2.gz ZUDKURYGLQCOTH-HZSPNIEDSA-N 2 0 240.391 1.421 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccc[nH]2)CCC[C@@H]1C[NH3+] ZINC001205992805 969219483 /nfs/dbraw/zinc/21/94/83/969219483.db2.gz GCJMMRANJXMERQ-NWDGAFQWSA-N 2 0 221.348 1.822 20 0 BDADRP C[C@H]1C[N@H+](Cc2cnccn2)CCC[C@@H]1C[NH3+] ZINC001205993133 969223143 /nfs/dbraw/zinc/22/31/43/969223143.db2.gz GZJFMIGMNZLAAU-NWDGAFQWSA-N 2 0 234.347 1.283 20 0 BDADRP Cc1cc(-n2cc3c(n2)CC[C@@H]([NH3+])C3)cc(C)[nH+]1 ZINC001168819919 969233606 /nfs/dbraw/zinc/23/36/06/969233606.db2.gz HTQIOUIOMRWUHV-GFCCVEGCSA-N 2 0 242.326 1.700 20 0 BDADRP [NH3+]CCc1cnn(-c2ccc(C3([NH3+])CC3)cc2)c1 ZINC001168948793 969288673 /nfs/dbraw/zinc/28/86/73/969288673.db2.gz BHTNRKNSECPFBA-UHFFFAOYSA-N 2 0 242.326 1.321 20 0 BDADRP Cc1nccc(-n2cc(CC[NH3+])cn2)c1F ZINC001168952271 969292048 /nfs/dbraw/zinc/29/20/48/969292048.db2.gz HVWBVVNZUAEGFF-UHFFFAOYSA-N 2 0 220.251 1.216 20 0 BDADRP C[C@H]1C[N@H+](Cc2ncccc2N)CCC[C@H]1C[NH3+] ZINC001205996341 969366167 /nfs/dbraw/zinc/36/61/67/969366167.db2.gz WHLZSCXOBOQNTO-RYUDHWBXSA-N 2 0 248.374 1.471 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1C[C@@](C)(O)C1)C2 ZINC001169097889 969389686 /nfs/dbraw/zinc/38/96/86/969389686.db2.gz DWJUISPRVOENSN-HALBRFILSA-N 2 0 224.348 1.115 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1cc(C[NH3+])cn1)C2 ZINC001169097514 969393834 /nfs/dbraw/zinc/39/38/34/969393834.db2.gz ATHMTQKGTAIEER-GDNZZTSVSA-N 2 0 220.320 1.140 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCn1ccnc1)C2 ZINC001169078800 969397746 /nfs/dbraw/zinc/39/77/46/969397746.db2.gz HAKWILLOFULUIX-XYYAHUGASA-N 2 0 234.347 1.098 20 0 BDADRP C[C@H]([NH3+])c1nccn1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169078764 969399422 /nfs/dbraw/zinc/39/94/22/969399422.db2.gz GGHLZEQTCVLAKE-YFKTTZPYSA-N 2 0 234.347 1.701 20 0 BDADRP CC(C)[C@H](O)C[NH2+]CCc1c[nH]c2cc[nH+]cc12 ZINC001253783871 969404889 /nfs/dbraw/zinc/40/48/89/969404889.db2.gz ACQPGMAISUKJLC-CQSZACIVSA-N 2 0 247.342 1.712 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@H]1CC[N@@H+](C(C)C)C[C@H]1C ZINC001253787587 969407350 /nfs/dbraw/zinc/40/73/50/969407350.db2.gz COSRKKKZPMFAHW-HZSPNIEDSA-N 2 0 242.407 1.712 20 0 BDADRP Cn1ccnc1CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169123081 969420916 /nfs/dbraw/zinc/42/09/16/969420916.db2.gz IRYRYOOMJKJUGL-XYYAHUGASA-N 2 0 248.374 1.177 20 0 BDADRP CC[NH+]1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169124271 969420954 /nfs/dbraw/zinc/42/09/54/969420954.db2.gz BICGSBCORKNRAH-WDNDVIMCSA-N 2 0 237.391 1.249 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(C)(O)CC1)C2 ZINC001169126081 969424832 /nfs/dbraw/zinc/42/48/32/969424832.db2.gz OURJNNUEPLKUIV-CLLJXQQHSA-N 2 0 238.375 1.458 20 0 BDADRP COC1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169125948 969427333 /nfs/dbraw/zinc/42/73/33/969427333.db2.gz ODPCYUPUPNBOLM-CLLJXQQHSA-N 2 0 238.375 1.722 20 0 BDADRP C[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169126785 969430035 /nfs/dbraw/zinc/43/00/35/969430035.db2.gz XPKOHCMWHSJTIP-NDBYEHHHSA-N 2 0 208.349 1.953 20 0 BDADRP COC[C@H]1CCC[N@@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169126420 969430997 /nfs/dbraw/zinc/43/09/97/969430997.db2.gz SVOXVWLFCBSXJE-RQJABVFESA-N 2 0 238.375 1.722 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCOCC1)C2 ZINC001169126979 969431450 /nfs/dbraw/zinc/43/14/50/969431450.db2.gz YVAXNFYEALLHRH-CLLJXQQHSA-N 2 0 224.348 1.334 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Nc1ccc(C[NH3+])nc1)C2 ZINC001169114815 969453506 /nfs/dbraw/zinc/45/35/06/969453506.db2.gz YXTDGQRBXYDJCL-ZSOGYDGISA-N 2 0 246.358 1.577 20 0 BDADRP CC[NH+]1CCC(n2cc3c(n2)CC[C@H]([NH3+])C3)CC1 ZINC001169231178 969501013 /nfs/dbraw/zinc/50/10/13/969501013.db2.gz UOKMMKJCYQNIBY-LBPRGKRZSA-N 2 0 248.374 1.356 20 0 BDADRP C[C@@H]([NH3+])c1ccn(-c2ccc3c(c2)C[NH2+]C3)n1 ZINC001169232198 969507503 /nfs/dbraw/zinc/50/75/03/969507503.db2.gz AQWTWOUOWMVFKO-SECBINFHSA-N 2 0 228.299 1.495 20 0 BDADRP C[C@@H]([NH3+])c1ccn(-c2ccccc2CC[NH3+])n1 ZINC001169232521 969508463 /nfs/dbraw/zinc/50/84/63/969508463.db2.gz GNXVXBOOUYKDOH-SNVBAGLBSA-N 2 0 230.315 1.393 20 0 BDADRP CC[NH+]1CCC(N2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC001169268667 969555261 /nfs/dbraw/zinc/55/52/61/969555261.db2.gz NQZDQVCKUBACPJ-CYBMUJFWSA-N 2 0 239.407 1.497 20 0 BDADRP Nc1cc[nH+]cc1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC001209729763 969585049 /nfs/dbraw/zinc/58/50/49/969585049.db2.gz AXENDKJFWACWJC-CYBMUJFWSA-N 2 0 246.358 1.164 20 0 BDADRP C[N@H+]1C[C@H]2[C@H](C1)CCCN2Cc1c[nH+]ccc1N ZINC001209729937 969585089 /nfs/dbraw/zinc/58/50/89/969585089.db2.gz BQTNPOTTWQTCBF-FZMZJTMJSA-N 2 0 246.358 1.020 20 0 BDADRP C[NH+](C)[C@@H]1CCCN(Cc2c[nH+]ccc2N)C1 ZINC001209730636 969590020 /nfs/dbraw/zinc/59/00/20/969590020.db2.gz DSTRQUMPIORFSZ-GFCCVEGCSA-N 2 0 234.347 1.020 20 0 BDADRP CC[N@@H+]1CCN(Cc2c[nH+]ccc2N)[C@H](C)C1 ZINC001209732605 969593350 /nfs/dbraw/zinc/59/33/50/969593350.db2.gz AAFNSXOVHYPXTN-LLVKDONJSA-N 2 0 234.347 1.020 20 0 BDADRP CCC[N@H+](CCC[NH+](C)C)[C@@H]1CCCOC1 ZINC001254389621 969607503 /nfs/dbraw/zinc/60/75/03/969607503.db2.gz RBWJBVDMTUTWTI-CYBMUJFWSA-N 2 0 228.380 1.829 20 0 BDADRP C[N@@H+]1CCC[C@H](Nc2ccc(C[NH3+])nc2)CC1 ZINC001254507879 969654007 /nfs/dbraw/zinc/65/40/07/969654007.db2.gz GLBUGNHFKUJDKE-NSHDSACASA-N 2 0 234.347 1.437 20 0 BDADRP C[C@@H]1C[C@H](O)CC[N@@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254524993 969706990 /nfs/dbraw/zinc/70/69/90/969706990.db2.gz FPMQDISIXZISPW-FRRDWIJNSA-N 2 0 226.364 1.316 20 0 BDADRP CN1CC2(C1)CC[N@@H+]([C@@H]1CCC[NH+](C)CC1)C2 ZINC001254529221 969730870 /nfs/dbraw/zinc/73/08/70/969730870.db2.gz LHCHNDQFYXQBPI-CYBMUJFWSA-N 2 0 237.391 1.108 20 0 BDADRP CCC[N@H+](CCC[NH3+])[C@H]1CCCN(C(C)=O)C1 ZINC001169573869 969770089 /nfs/dbraw/zinc/77/00/89/969770089.db2.gz IPEZHIFZELICOJ-ZDUSSCGKSA-N 2 0 241.379 1.058 20 0 BDADRP [NH3+][C@H]1CCC[C@@H](N[C@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254833271 969795430 /nfs/dbraw/zinc/79/54/30/969795430.db2.gz OIMILGLZHUHYOW-MJBXVCDLSA-N 2 0 237.391 1.330 20 0 BDADRP C[NH+](C)C1(C)CN([C@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254861441 969810191 /nfs/dbraw/zinc/81/01/91/969810191.db2.gz SSHRRYWESLGFQO-ZDUSSCGKSA-N 2 0 237.391 1.107 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C2C[C@@H]3CC(=O)C[C@H]3C2)C1 ZINC001254916500 969819938 /nfs/dbraw/zinc/81/99/38/969819938.db2.gz ZNZJKGBEMFYDMU-WISYIIOYSA-N 2 0 236.359 1.604 20 0 BDADRP COC(=O)Cc1cc(-n2ccc(C[NH3+])c2)cc[nH+]1 ZINC001169726448 969820882 /nfs/dbraw/zinc/82/08/82/969820882.db2.gz YHOLROWHJVQUSI-UHFFFAOYSA-N 2 0 245.282 1.047 20 0 BDADRP [NH3+]Cc1ccccc1C[NH2+]C1CCOCC1 ZINC001255034530 969856789 /nfs/dbraw/zinc/85/67/89/969856789.db2.gz RNWKISMOEZQXBP-UHFFFAOYSA-N 2 0 220.316 1.414 20 0 BDADRP [NH3+]C1(CC2CC2)CC[NH+](C2CCOCC2)CC1 ZINC001255034940 969857825 /nfs/dbraw/zinc/85/78/25/969857825.db2.gz RDGOFRIDTJZLNJ-UHFFFAOYSA-N 2 0 238.375 1.759 20 0 BDADRP CC[C@@H]([NH3+])CN1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001210311692 969862727 /nfs/dbraw/zinc/86/27/27/969862727.db2.gz MVNRGOUEVVWQGN-HUUCEWRRSA-N 2 0 247.386 1.240 20 0 BDADRP CCC[N@H+]1C[C@@H]2C[NH+](C3CCOCC3)C[C@@H]2C1 ZINC001255047136 969866670 /nfs/dbraw/zinc/86/66/70/969866670.db2.gz KLLYWGRCQOPMSA-BETUJISGSA-N 2 0 238.375 1.439 20 0 BDADRP C[C@@H](C[NH3+])C[N@H+](C)[C@H]1CCCC2(C1)OCCO2 ZINC001169921721 969887950 /nfs/dbraw/zinc/88/79/50/969887950.db2.gz ATRQRKPAPVUERE-RYUDHWBXSA-N 2 0 242.363 1.199 20 0 BDADRP C[C@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001210476004 969899065 /nfs/dbraw/zinc/89/90/65/969899065.db2.gz QTLJQMJQCUVQPT-STQMWFEESA-N 3 0 225.380 1.060 20 0 BDADRP CC[NH+]1CCC(N(C)C[C@H]([NH3+])CC(F)F)CC1 ZINC000379796746 969899650 /nfs/dbraw/zinc/89/96/50/969899650.db2.gz LILADLHENVIBMK-SNVBAGLBSA-N 2 0 249.349 1.385 20 0 BDADRP C[C@@H]1CCN(Cc2cccc(N)c2)CC[NH2+]1 ZINC001210496493 969907427 /nfs/dbraw/zinc/90/74/27/969907427.db2.gz HKQLQODLWCIWKK-LLVKDONJSA-N 2 0 219.332 1.453 20 0 BDADRP [NH3+]CCSCC[NH2+]C1CCSCC1 ZINC001255084502 969916528 /nfs/dbraw/zinc/91/65/28/969916528.db2.gz OWSMEHLAWCXWNC-UHFFFAOYSA-N 2 0 220.407 1.164 20 0 BDADRP CC1(C)CCC([NH+]2CCN(CC[NH3+])CC2)CC1 ZINC001255297838 970061570 /nfs/dbraw/zinc/06/15/70/970061570.db2.gz MECGBAAOBBDJBO-UHFFFAOYSA-N 2 0 239.407 1.532 20 0 BDADRP [NH2+]=C(NCCCC[NH3+])Nc1[nH]ccc2nccc1-2 ZINC001157094727 970089059 /nfs/dbraw/zinc/08/90/59/970089059.db2.gz UTLZONZPZAMOFI-UHFFFAOYSA-N 2 0 246.318 1.238 20 0 BDADRP CCCC[C@@H](C)[NH+]1CCN(CCCC[NH3+])CC1 ZINC001255321109 970099191 /nfs/dbraw/zinc/09/91/91/970099191.db2.gz XVFZTUFXIRCFLE-CQSZACIVSA-N 2 0 241.423 1.922 20 0 BDADRP CCOC(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)C[NH3+])C1 ZINC001255348463 970124119 /nfs/dbraw/zinc/12/41/19/970124119.db2.gz IEVIKZLGVWMYRS-IJLUTSLNSA-N 2 0 242.363 1.293 20 0 BDADRP C[C@@H]([NH3+])c1nc2ccccc2n1[C@@H]1CC[N@H+](C)C1 ZINC001255412192 970132595 /nfs/dbraw/zinc/13/25/95/970132595.db2.gz MEYLTPKPWSCUSD-GHMZBOCLSA-N 2 0 244.342 1.933 20 0 BDADRP C[NH2+]CCN([C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001255441644 970167964 /nfs/dbraw/zinc/16/79/64/970167964.db2.gz PUEDSSCNBMBEQO-LLVKDONJSA-N 2 0 213.369 1.010 20 0 BDADRP COC1CCC(NC(=[NH2+])SCC[NH3+])CC1 ZINC001255448005 970178429 /nfs/dbraw/zinc/17/84/29/970178429.db2.gz MAZBVBBMISUQCV-UHFFFAOYSA-N 2 0 231.365 1.160 20 0 BDADRP COc1ccc2[nH+]c(N)n(-c3cncn3C)c2c1 ZINC001211245127 970190503 /nfs/dbraw/zinc/19/05/03/970190503.db2.gz KAYFHMGKSRGBOC-UHFFFAOYSA-N 2 0 243.270 1.350 20 0 BDADRP C[C@@H]1CC[C@@H]([NH+]2CCN(CCC[NH3+])CC2)C1 ZINC001170101694 970288485 /nfs/dbraw/zinc/28/84/85/970288485.db2.gz OWERXUQTXOJKCB-CHWSQXEVSA-N 2 0 225.380 1.141 20 0 BDADRP C[C@@H]1CC[C@@H](NC(=[NH2+])SCC[NH3+])C1 ZINC001170102834 970306763 /nfs/dbraw/zinc/30/67/63/970306763.db2.gz CXXZAPRRMOAKFX-HTQZYQBOSA-N 2 0 201.339 1.391 20 0 BDADRP COC[C@@H](C)[NH2+]CC12CC[NH+](CC1)CC2 ZINC001255560614 970343136 /nfs/dbraw/zinc/34/31/36/970343136.db2.gz SXNUBWLNMGHKCH-LLVKDONJSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@H]1CC[C@@H]([N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC001170147743 970438671 /nfs/dbraw/zinc/43/86/71/970438671.db2.gz FFXNSMWFIRYZNB-WUHRBBMRSA-N 2 0 208.349 1.668 20 0 BDADRP Cc1ccc(C[C@H](C)[NH2+]CCN(C)CC[NH3+])cc1 ZINC001255782272 970486344 /nfs/dbraw/zinc/48/63/44/970486344.db2.gz XAECXQLFKAARDS-AWEZNQCLSA-N 2 0 249.402 1.406 20 0 BDADRP CCC[NH+]1C[C@H]2CN(c3cccc(N)[nH+]3)C[C@@H]2C1 ZINC001157690996 970537642 /nfs/dbraw/zinc/53/76/42/970537642.db2.gz NJMUDCSBIUSERN-RYUDHWBXSA-N 2 0 246.358 1.442 20 0 BDADRP CC[C@@H]1C[C@@H]([N@H+](C)C[C@@H](C)C[NH3+])CCO1 ZINC001170182610 970559115 /nfs/dbraw/zinc/55/91/15/970559115.db2.gz NJWQBDHFWWZNMU-SDDRHHMPSA-N 2 0 214.353 1.471 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+][C@@]1(C)C[C@H](O)C1 ZINC001255944876 970562532 /nfs/dbraw/zinc/56/25/32/970562532.db2.gz HRZDUAQTSWRJNU-AVGNSLFASA-N 2 0 228.380 1.610 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H]1CCO[C@@H]1C ZINC001255941316 970573448 /nfs/dbraw/zinc/57/34/48/970573448.db2.gz OFAPVHXJHGOURU-JHJVBQTASA-N 2 0 228.380 1.874 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)NC[C@H]1CCC[N@@H+]1C ZINC001255943261 970575467 /nfs/dbraw/zinc/57/54/67/970575467.db2.gz LCCAJLGMOOFVMO-ZIAGYGMSSA-N 2 0 241.423 1.791 20 0 BDADRP C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)C1CC[NH2+]CC1 ZINC000400324394 970578387 /nfs/dbraw/zinc/57/83/87/970578387.db2.gz AZKOAMVTIMPBQM-DCQANWLSSA-N 2 0 226.364 1.530 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]CCCC[NH3+] ZINC001255946606 970580410 /nfs/dbraw/zinc/58/04/10/970580410.db2.gz WTIABXPMWLKJLR-GFCCVEGCSA-N 3 0 215.385 1.435 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)NC[C@@H](C)C[NH3+] ZINC001255949985 970580822 /nfs/dbraw/zinc/58/08/22/970580822.db2.gz DLTPTNKSCYLQCR-NWDGAFQWSA-N 2 0 215.385 1.291 20 0 BDADRP C[C@H](NC[C@H](O)c1ccsc1)[C@@H]1CCC[NH2+]1 ZINC000400345979 970582228 /nfs/dbraw/zinc/58/22/28/970582228.db2.gz KJKHGNONMUZDJT-DLOVCJGASA-N 2 0 240.372 1.512 20 0 BDADRP C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ncc[nH]1 ZINC000400434267 970588368 /nfs/dbraw/zinc/58/83/68/970588368.db2.gz MCKRTDOHABSPNU-UWVGGRQHSA-N 2 0 222.336 1.448 20 0 BDADRP C[C@H]([NH2+][C@H]1CCOC[C@H]1C)C1CC[NH2+]CC1 ZINC000400453523 970593384 /nfs/dbraw/zinc/59/33/84/970593384.db2.gz RSFOXFLACWGEJB-MDZLAQPJSA-N 2 0 226.364 1.389 20 0 BDADRP COC(=O)[C@H]1CCC[C@H]([NH2+]CCCC[NH3+])C1 ZINC000304625853 970622315 /nfs/dbraw/zinc/62/23/15/970622315.db2.gz PXEGVUCLVUHOTG-QWRGUYRKSA-N 2 0 228.336 1.047 20 0 BDADRP CCCN(CCC[NH3+])C1CC[NH+](C2CC2)CC1 ZINC001256067653 970634690 /nfs/dbraw/zinc/63/46/90/970634690.db2.gz YKSHKZVURAKTKQ-UHFFFAOYSA-N 2 0 239.407 1.674 20 0 BDADRP c1nc2c(n1C1CC[NH+](C3CC3)CC1)C[NH2+]CC2 ZINC001256073817 970639445 /nfs/dbraw/zinc/63/94/45/970639445.db2.gz ZNCOLEUIYFQVAD-UHFFFAOYSA-N 2 0 246.358 1.328 20 0 BDADRP C1CC1[NH+]1CCC(N2CC[N@@H+]3CC[C@H]3C2)CC1 ZINC001256083362 970653613 /nfs/dbraw/zinc/65/36/13/970653613.db2.gz SWXFVJNLUHXWCF-AWEZNQCLSA-N 2 0 235.375 1.003 20 0 BDADRP c1cncc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000401088941 970656683 /nfs/dbraw/zinc/65/66/83/970656683.db2.gz WRZDLKOFVSALKF-RRFJBIMHSA-N 2 0 245.370 1.602 20 0 BDADRP OCCC1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000401037990 970657773 /nfs/dbraw/zinc/65/77/73/970657773.db2.gz ZRPPCZGSZKCEOZ-UHFFFAOYSA-N 2 0 226.364 1.223 20 0 BDADRP C[NH+]1CC(CNc2cccc(C[NH3+])c2)C1 ZINC001170254756 970670536 /nfs/dbraw/zinc/67/05/36/970670536.db2.gz QPPQCIOONAEMRF-UHFFFAOYSA-N 2 0 205.305 1.119 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3n[nH]cc32)C1 ZINC000401664832 970713539 /nfs/dbraw/zinc/71/35/39/970713539.db2.gz WRIYDOFOUIUCMQ-WCQYABFASA-N 2 0 248.374 1.719 20 0 BDADRP CN1CCC([N@@H+]2CC[C@H](c3cccnc3)C2)CC1 ZINC001256207938 970713333 /nfs/dbraw/zinc/71/33/33/970713333.db2.gz ZIEMMXHECLXSEX-AWEZNQCLSA-N 2 0 245.370 1.965 20 0 BDADRP C[N@@H+]1[C@@H]2CC[C@H]1CN(C1CC[NH+](C)CC1)CC2 ZINC001256210534 970716272 /nfs/dbraw/zinc/71/62/72/970716272.db2.gz KJSLPGXDCCFYAH-OCCSQVGLSA-N 2 0 237.391 1.249 20 0 BDADRP [NH3+]CC1(F)CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001222532905 972555919 /nfs/dbraw/zinc/55/59/19/972555919.db2.gz PMABQWISZORWPF-UHFFFAOYSA-N 2 0 238.306 1.655 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2CCCC[C@H]2C[NH3+])CC[NH2+]1 ZINC001246543134 972587897 /nfs/dbraw/zinc/58/78/97/972587897.db2.gz RWPIFWIKTXZZPR-RDBSUJKOSA-N 2 0 239.407 1.576 20 0 BDADRP C[C@H](Cc1ccncc1)N1CC[C@@H]([NH3+])[C@H]1C ZINC001246552183 972735991 /nfs/dbraw/zinc/73/59/91/972735991.db2.gz VZBCKRJNQOYSDJ-NQBHXWOUSA-N 2 0 219.332 1.434 20 0 BDADRP [NH3+]CCCCCCN1C[C@H]([NH3+])CC(F)(F)C1 ZINC001206117781 972749538 /nfs/dbraw/zinc/74/95/38/972749538.db2.gz WKDPWAMCKHMSKE-SNVBAGLBSA-N 2 0 235.322 1.174 20 0 BDADRP C[C@H]1C[C@H]([N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)CCO1 ZINC001246553606 972750798 /nfs/dbraw/zinc/75/07/98/972750798.db2.gz BNEOQQJGGNXRRC-GARJFASQSA-N 2 0 248.317 1.470 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)CCO1 ZINC001246553607 972751449 /nfs/dbraw/zinc/75/14/49/972751449.db2.gz BNEOQQJGGNXRRC-GMTAPVOTSA-N 2 0 248.317 1.470 20 0 BDADRP C[C@@H]1[C@@H](C[NH3+])CCCN1[C@H]1CCCC[NH2+]C1 ZINC001246568102 972823917 /nfs/dbraw/zinc/82/39/17/972823917.db2.gz YNYXTZOBJMDFFV-UPJWGTAASA-N 2 0 225.380 1.188 20 0 BDADRP CCCC[C@@H]1C[C@@H](N2CC[NH2+][C@H](C)C2)CC[NH2+]1 ZINC001246571013 972842160 /nfs/dbraw/zinc/84/21/60/972842160.db2.gz CKWIPXNYPGWQOV-MCIONIFRSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@H](O)[C@H](C)C2)CC[NH2+]1 ZINC001246571270 972850047 /nfs/dbraw/zinc/85/00/47/972850047.db2.gz ASHPNBXEESDEFI-LPWJVIDDSA-N 2 0 226.364 1.220 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](O)[C@@H](C)C2)CC[NH2+]1 ZINC001246571273 972850745 /nfs/dbraw/zinc/85/07/45/972850745.db2.gz ASHPNBXEESDEFI-UMSGYPCISA-N 2 0 226.364 1.220 20 0 BDADRP O[C@@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@@H]1F ZINC001246572862 972861804 /nfs/dbraw/zinc/86/18/04/972861804.db2.gz DPDGYIHCEKHQEF-GJHMDTBVSA-N 2 0 242.338 1.064 20 0 BDADRP C[C@@]1(C[NH3+])CCCN([C@H]2CCCC[NH2+]C2)CC1 ZINC001246577811 972893575 /nfs/dbraw/zinc/89/35/75/972893575.db2.gz PXWSIAFVBRIZBN-UONOGXRCSA-N 2 0 239.407 1.579 20 0 BDADRP CC(C)C1CCC([N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246583039 972950296 /nfs/dbraw/zinc/95/02/96/972950296.db2.gz IOTWHWOXXCXAIV-GNRIBBGQSA-N 2 0 240.391 1.453 20 0 BDADRP CCC[NH+]1CCC(N2C[C@H]([NH3+])C[C@H](F)C2)CC1 ZINC001246585113 972969277 /nfs/dbraw/zinc/96/92/77/972969277.db2.gz NBVBHUHQEDANCP-NWDGAFQWSA-N 2 0 243.370 1.232 20 0 BDADRP CCC[NH+]1CCC(N2C[C@H]([NH3+])C[C@@H](F)C2)CC1 ZINC001246585156 972969523 /nfs/dbraw/zinc/96/95/23/972969523.db2.gz NBVBHUHQEDANCP-VXGBXAGGSA-N 2 0 243.370 1.232 20 0 BDADRP CC[C@@H]1C[C@@H](N2[C@H](C)C[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC001246586834 972978448 /nfs/dbraw/zinc/97/84/48/972978448.db2.gz PARMDZAPTKWEIU-XQHKEYJVSA-N 2 0 225.380 1.199 20 0 BDADRP CC[C@H]1C[C@H]([NH+]2CC(C)(C[NH3+])C2)CCO1 ZINC001246601363 973017525 /nfs/dbraw/zinc/01/75/25/973017525.db2.gz UYGLTKRPHKCWPI-MNOVXSKESA-N 2 0 212.337 1.225 20 0 BDADRP C1CN([C@H]2CCC[NH2+]C2)[C@@]2(C1)CCC[NH2+]CC2 ZINC001246606884 973028724 /nfs/dbraw/zinc/02/87/24/973028724.db2.gz OFOUHPAVAUJOBR-UONOGXRCSA-N 2 0 237.391 1.347 20 0 BDADRP C[NH2+]CC[C@@H](C)[N@@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001246604643 973029486 /nfs/dbraw/zinc/02/94/86/973029486.db2.gz HYAOMXZWLVQXPQ-ZIAGYGMSSA-N 3 0 239.407 1.593 20 0 BDADRP CCCC[C@@H]1C[C@H](N2C[C@H]3C[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC001246674844 973080446 /nfs/dbraw/zinc/08/04/46/973080446.db2.gz BOUISGIWUVRBIX-YIYPIFLZSA-N 2 0 237.391 1.343 20 0 BDADRP CC(C)(C)[C@@H]1C[C@@H](N2C[C@H]3C[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC001246676544 973083231 /nfs/dbraw/zinc/08/32/31/973083231.db2.gz JDDVDTKVLOTLAI-RNJOBUHISA-N 2 0 237.391 1.199 20 0 BDADRP CN([C@@H]1CC[NH2+]C1)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246794864 973092934 /nfs/dbraw/zinc/09/29/34/973092934.db2.gz CDJPIFVRVXMBNR-XQQFMLRXSA-N 2 0 239.407 1.447 20 0 BDADRP [NH3+][C@]12CC[C@H]1CN([C@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)C2 ZINC001246852780 973157596 /nfs/dbraw/zinc/15/75/96/973157596.db2.gz KPBQDLGEFMCYDL-QNSTZXKLSA-N 2 0 235.375 1.083 20 0 BDADRP CO[C@@H]1CCC[C@H]([N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)C1 ZINC001246854877 973173987 /nfs/dbraw/zinc/17/39/87/973173987.db2.gz REOXLGWWSJJIJP-XQHKEYJVSA-N 2 0 224.348 1.367 20 0 BDADRP C[C@@H]1CC[C@H]([N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])C1 ZINC001246861912 973182992 /nfs/dbraw/zinc/18/29/92/973182992.db2.gz RJOLEMPSAYYRBA-BWOQGFTMSA-N 2 0 224.348 1.081 20 0 BDADRP C[NH2+]C[C@@H]1CCN([C@@H]2CC[NH2+][C@H](C(C)C)C2)C1 ZINC001246863752 973188845 /nfs/dbraw/zinc/18/88/45/973188845.db2.gz LXSGXFWWTQZCIM-MJBXVCDLSA-N 2 0 239.407 1.304 20 0 BDADRP N[C@@]12C[C@@H]1C[N@@H+](C1CCC3(CC[NH2+]CC3)CC1)C2 ZINC001246870077 973242792 /nfs/dbraw/zinc/24/27/92/973242792.db2.gz NLYOUZLSKSQJOA-IUODEOHRSA-N 2 0 249.402 1.332 20 0 BDADRP COC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246875726 973309380 /nfs/dbraw/zinc/30/93/80/973309380.db2.gz LIWMOJBHNZBWTM-UKIXVXPJSA-N 2 0 238.375 1.769 20 0 BDADRP CCC[C@@H](CC)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001246896506 973346741 /nfs/dbraw/zinc/34/67/41/973346741.db2.gz GIYBPWGZICNBML-OLZOCXBDSA-N 2 0 240.391 1.754 20 0 BDADRP C[C@H]1C[C@H](N2CCC[C@H]([NH2+]C3CC3)C2)CC[NH2+]1 ZINC001246918740 973475356 /nfs/dbraw/zinc/47/53/56/973475356.db2.gz LYFMEJHEUKEGMS-FPMFFAJLSA-N 2 0 237.391 1.343 20 0 BDADRP CC[C@@H]1C[C@@H](N2C[C@@H]3C[NH2+][C@@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246921582 973519216 /nfs/dbraw/zinc/51/92/16/973519216.db2.gz SUCWOAKGXWSKET-PDWCTOEPSA-N 2 0 237.391 1.199 20 0 BDADRP C1[C@@H]2CC[NH2+]CC[C@@H]2C[N@H+]1[C@H]1CCCOCC1 ZINC001246928676 973552551 /nfs/dbraw/zinc/55/25/51/973552551.db2.gz BPSZUMDSCOBZEJ-MJBXVCDLSA-N 2 0 238.375 1.487 20 0 BDADRP CC[N@@H+]1CC[C@H](OCC2CC[NH+](C)CC2)C1 ZINC001224449128 973652598 /nfs/dbraw/zinc/65/25/98/973652598.db2.gz DYGPDZRRFKOUAI-ZDUSSCGKSA-N 2 0 226.364 1.439 20 0 BDADRP C[C@H]([NH3+])CN(C)[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246982509 973753914 /nfs/dbraw/zinc/75/39/14/973753914.db2.gz XCJOQUBFHAOXMQ-QWHCGFSZSA-N 2 0 239.407 1.720 20 0 BDADRP CC(C)([NH3+])CCC(=O)NCc1ccccc1C[NH3+] ZINC001329483579 973794734 /nfs/dbraw/zinc/79/47/34/973794734.db2.gz LDIRBHJELBBJJL-UHFFFAOYSA-N 2 0 249.358 1.279 20 0 BDADRP [NH3+]Cc1ccnc(NC[C@H]2CCCC[NH2+]2)c1 ZINC001171328210 973822562 /nfs/dbraw/zinc/82/25/62/973822562.db2.gz PRNCGJMIDIFIRA-LLVKDONJSA-N 2 0 220.320 1.094 20 0 BDADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)CC(C)(C)[NH3+] ZINC001329569925 973832431 /nfs/dbraw/zinc/83/24/31/973832431.db2.gz PTYWYXBJWCHKNO-GHMZBOCLSA-N 2 0 241.379 1.103 20 0 BDADRP CCCC[NH2+]CCNC(=O)CC[N@H+](C)CCC ZINC001148578127 973866684 /nfs/dbraw/zinc/86/66/84/973866684.db2.gz ODALGMPCLCMGJT-UHFFFAOYSA-N 2 0 243.395 1.224 20 0 BDADRP C[NH+](C)C1CCC([NH2+]C[C@H]2C[C@@H](O)C2)CC1 ZINC000720971703 974020695 /nfs/dbraw/zinc/02/06/95/974020695.db2.gz XOEANLIALNVDEI-WLOAISHVSA-N 2 0 226.364 1.220 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@@H]1CCc2c(F)cccc2C1 ZINC001171412438 974021905 /nfs/dbraw/zinc/02/19/05/974021905.db2.gz WZMMNFUYTIONEP-CMPLNLGQSA-N 2 0 236.334 1.867 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@H]1CCc2c(F)cccc2C1 ZINC001171412440 974025140 /nfs/dbraw/zinc/02/51/40/974025140.db2.gz WZMMNFUYTIONEP-PWSUYJOCSA-N 2 0 236.334 1.867 20 0 BDADRP [NH3+]Cc1cccc(Nc2nccnc2C[NH3+])c1 ZINC001171449012 974071208 /nfs/dbraw/zinc/07/12/08/974071208.db2.gz BKZLYGUIFKPFFO-UHFFFAOYSA-N 2 0 229.287 1.138 20 0 BDADRP C[NH+](C)CCCCOC1C[NH+](C(C)(C)C)C1 ZINC001224992932 974107956 /nfs/dbraw/zinc/10/79/56/974107956.db2.gz WLKIUYRLJPKRMA-UHFFFAOYSA-N 2 0 228.380 1.828 20 0 BDADRP C[C@@H](O)C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171617649 974112411 /nfs/dbraw/zinc/11/24/11/974112411.db2.gz PDEITKIJJROHJJ-SNVBAGLBSA-N 2 0 228.380 1.608 20 0 BDADRP CC[C@H](CO)[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171619231 974115192 /nfs/dbraw/zinc/11/51/92/974115192.db2.gz ZNICBWRBBYECJX-LLVKDONJSA-N 2 0 242.407 1.998 20 0 BDADRP [NH3+][C@H]1CCCN([C@H]2Cc3cccc(F)c3C2)C1 ZINC001171775127 974156389 /nfs/dbraw/zinc/15/63/89/974156389.db2.gz HWGUBCIGAFQXCD-RYUDHWBXSA-N 2 0 234.318 1.716 20 0 BDADRP C[N@@H+]1CC[C@H](C[NH2+][C@@H]2Cc3cccc(F)c3C2)C1 ZINC001171773306 974156740 /nfs/dbraw/zinc/15/67/40/974156740.db2.gz JETDJBQCUXGZDK-DGCLKSJQSA-N 2 0 248.345 1.834 20 0 BDADRP N[C@@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)CC[C@H]1F ZINC001206153248 974259540 /nfs/dbraw/zinc/25/95/40/974259540.db2.gz CJMQIIZDJKJLEQ-JHJVBQTASA-N 2 0 243.370 1.137 20 0 BDADRP CC1(C[N@H+]2CC[C@@H](F)[C@@H](N)CC2)CCOCC1 ZINC001206155620 974329303 /nfs/dbraw/zinc/32/93/03/974329303.db2.gz MVDXMXYAKQUMOZ-NEPJUHHUSA-N 2 0 244.354 1.564 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(C)COC1)C2 ZINC001172099313 974338112 /nfs/dbraw/zinc/33/81/12/974338112.db2.gz JGKXMRBPMOCBAO-CLLJXQQHSA-N 2 0 238.375 1.628 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1cncc1CC[NH3+])C2 ZINC001172098161 974342440 /nfs/dbraw/zinc/34/24/40/974342440.db2.gz AVQKMRAUXBZYJT-IMRBUKKESA-N 2 0 248.374 1.572 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](n1ccc(CC[NH3+])n1)C2 ZINC001172101829 974359541 /nfs/dbraw/zinc/35/95/41/974359541.db2.gz BUNPHBROVSPDJC-BTTYYORXSA-N 2 0 248.374 1.572 20 0 BDADRP COC1(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)CCC1 ZINC001330638447 974376689 /nfs/dbraw/zinc/37/66/89/974376689.db2.gz GJSJRAKYAFAULY-ZDUSSCGKSA-N 2 0 240.391 1.875 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC3(COC3)C1)C2 ZINC001172113225 974378967 /nfs/dbraw/zinc/37/89/67/974378967.db2.gz HPUKOIMPIXAPLD-ITGUQSILSA-N 2 0 236.359 1.334 20 0 BDADRP C[N@@H+]1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001172217260 974439381 /nfs/dbraw/zinc/43/93/81/974439381.db2.gz BBLSNQZHDPNLDP-WODVXLOZSA-N 2 0 224.348 1.238 20 0 BDADRP C[N@H+]1C[C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)O4)C[C@@H]2C1 ZINC001172230734 974470275 /nfs/dbraw/zinc/47/02/75/974470275.db2.gz HJOMWEZCOVMJAU-LSPKCERGSA-N 2 0 236.359 1.190 20 0 BDADRP CC[C@H](C)OCC[C@@H](C)NC(=[NH2+])SCC[NH3+] ZINC001172318668 974528287 /nfs/dbraw/zinc/52/82/87/974528287.db2.gz KRPCZBCAZCTVHA-ZJUUUORDSA-N 2 0 247.408 1.796 20 0 BDADRP CC[NH+](CC)CCC[NH2+]CC1(OC)CCC1 ZINC001331059501 974582618 /nfs/dbraw/zinc/58/26/18/974582618.db2.gz TUXMBMFUNDXIGT-UHFFFAOYSA-N 2 0 228.380 1.877 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CCOCC[NH3+])C[C@@H]1C ZINC001172359032 974628835 /nfs/dbraw/zinc/62/88/35/974628835.db2.gz KWHGLKQQQKUFHM-WOPDTQHZSA-N 2 0 214.353 1.376 20 0 BDADRP CCOCC[C@@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC001172405702 974662174 /nfs/dbraw/zinc/66/21/74/974662174.db2.gz CCIBDDWFWBYZKJ-CYBMUJFWSA-N 2 0 228.380 1.877 20 0 BDADRP CCOCC[C@@H](C)[NH2+][C@H]1CCN(C(C)C)C1 ZINC001172412450 974678725 /nfs/dbraw/zinc/67/87/25/974678725.db2.gz XXZRVPKZRNRMBQ-OLZOCXBDSA-N 2 0 228.380 1.874 20 0 BDADRP CC(C)COCC[C@@H](C)[NH2+]C[C@@H](C)C[NH3+] ZINC001172463388 974828814 /nfs/dbraw/zinc/82/88/14/974828814.db2.gz NQGZHEINWXIKAG-NWDGAFQWSA-N 2 0 216.369 1.622 20 0 BDADRP C[NH2+][C@H](C)CCN[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC001331835606 974831734 /nfs/dbraw/zinc/83/17/34/974831734.db2.gz RKVOUMWKYRZVJJ-WOPDTQHZSA-N 2 0 225.380 1.199 20 0 BDADRP N[C@@H]1C[C@H]1[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC001172710783 974925179 /nfs/dbraw/zinc/92/51/79/974925179.db2.gz NKYKEYIRASRYAJ-QJPTWQEYSA-N 2 0 222.719 1.496 20 0 BDADRP CC(C)OC(=O)CC[C@@H](C)NC1(C[NH3+])CC1 ZINC001172754923 974928055 /nfs/dbraw/zinc/92/80/55/974928055.db2.gz ZRGOQLZIFNAPAN-SNVBAGLBSA-N 2 0 228.336 1.188 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH+]2CCC([NH+](C)C)CC2)C1 ZINC001172930521 974981381 /nfs/dbraw/zinc/98/13/81/974981381.db2.gz IZZRXACTKDSLNX-ZIAGYGMSSA-N 2 0 240.391 1.970 20 0 BDADRP CC[NH+](CC)C1CCC(N2CC(C)([NH3+])C2)CC1 ZINC001173109814 975024206 /nfs/dbraw/zinc/02/42/06/975024206.db2.gz HNAGMLLROCPCRU-UHFFFAOYSA-N 2 0 239.407 1.672 20 0 BDADRP COc1cccc2c1C[C@@H]([NH2+]C1CC([NH3+])C1)CO2 ZINC001173163591 975051246 /nfs/dbraw/zinc/05/12/46/975051246.db2.gz LTVUAXPBUWKYJK-VQXHTEKXSA-N 2 0 248.326 1.078 20 0 BDADRP [NH3+]C[C@@H](O)C[NH2+][C@@H]1CCCC2(CCCCC2)C1 ZINC001173339292 975285312 /nfs/dbraw/zinc/28/53/12/975285312.db2.gz NMPDYTOHPPLPFH-CHWSQXEVSA-N 2 0 240.391 1.789 20 0 BDADRP CC[N@@H+]1CC[C@H](n2ccnc2[C@H](C)[NH3+])C1 ZINC001173347976 975287032 /nfs/dbraw/zinc/28/70/32/975287032.db2.gz KTSHHOSKJYFGIZ-UWVGGRQHSA-N 2 0 208.309 1.170 20 0 BDADRP CC[N@@H+]1CC[C@H](n2ncc3c2cccc3C[NH3+])C1 ZINC001173349703 975292001 /nfs/dbraw/zinc/29/20/01/975292001.db2.gz DLBQWEHFCZEBIA-LBPRGKRZSA-N 2 0 244.342 1.762 20 0 BDADRP CC[N@@H+]1CC[C@H](N2C[C@@H](C)[NH+](C)[C@@H](C)C2)C1 ZINC001173371176 975357972 /nfs/dbraw/zinc/35/79/72/975357972.db2.gz KSRMAJISOVJJOE-XQQFMLRXSA-N 2 0 225.380 1.105 20 0 BDADRP CC[NH+](CC)[C@H]1CCN([C@@H]2CC[N@H+](CC)C2)C1 ZINC001173372839 975358587 /nfs/dbraw/zinc/35/85/87/975358587.db2.gz RXXLQHCNPHYLLK-KGLIPLIRSA-N 2 0 239.407 1.497 20 0 BDADRP CC[N@@H+]1CC[C@H](Nc2cccc(C[NH2+]C)c2)C1 ZINC001173371161 975359271 /nfs/dbraw/zinc/35/92/71/975359271.db2.gz KRPFWQLJKPLFIX-AWEZNQCLSA-N 2 0 233.359 1.912 20 0 BDADRP [NH3+]C1CC([NH2+]C2Cc3cc(F)c(F)cc3C2)C1 ZINC001173475101 975382210 /nfs/dbraw/zinc/38/22/10/975382210.db2.gz HBWNQPKFGSXBCP-UHFFFAOYSA-N 2 0 238.281 1.511 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CC[C@@H]3[C@H](C2)C3(F)F)CC1 ZINC001206205442 975417348 /nfs/dbraw/zinc/41/73/48/975417348.db2.gz QBUWDVSMFSGZBM-NEPJUHHUSA-N 2 0 244.329 1.915 20 0 BDADRP CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]CCCC[NH3+])C1 ZINC001173620384 975484946 /nfs/dbraw/zinc/48/49/46/975484946.db2.gz GSEJJTPAVDTOGN-VXGBXAGGSA-N 2 0 242.363 1.437 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc2c(c1)C[NH2+]CC2 ZINC001333145878 975495157 /nfs/dbraw/zinc/49/51/57/975495157.db2.gz RZNFUQNWUPMPBQ-GFCCVEGCSA-N 3 0 247.386 1.277 20 0 BDADRP CN1CCC[C@@H]2[C@H]1CC[N@@H+]2CC[C@H]1CCOC1 ZINC001333487478 975812070 /nfs/dbraw/zinc/81/20/70/975812070.db2.gz HZQHGFXPQLZLHZ-BFHYXJOUSA-N 2 0 238.375 1.582 20 0 BDADRP C[N@@H+]1CCc2ncc(Nc3cc[nH+]cc3)cc2C1 ZINC001173882102 975933479 /nfs/dbraw/zinc/93/34/79/975933479.db2.gz RQCQYEUBWHSVIX-UHFFFAOYSA-N 2 0 240.310 1.630 20 0 BDADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3ccon3)C[C@H]2C1 ZINC001333891625 976144426 /nfs/dbraw/zinc/14/44/26/976144426.db2.gz MIIIYJYMBBJDKT-YRGRVCCFSA-N 2 0 249.358 1.837 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CCCSC2)C1 ZINC000259450743 976369877 /nfs/dbraw/zinc/36/98/77/976369877.db2.gz KWNWPHGWSWVBTD-HBNTYKKESA-N 2 0 214.378 1.599 20 0 BDADRP CCC[NH2+]CCN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC001334743383 976594426 /nfs/dbraw/zinc/59/44/26/976594426.db2.gz QIDNTROOFRUWIX-LBPRGKRZSA-N 2 0 227.396 1.354 20 0 BDADRP C[C@@H]([NH3+])CN1CCC(C(C)(C)C[NH3+])CC1 ZINC001334737920 976611994 /nfs/dbraw/zinc/61/19/94/976611994.db2.gz LUYIEIKAAUBWOI-SNVBAGLBSA-N 2 0 213.369 1.031 20 0 BDADRP C[C@H](C[NH3+])C[N@H+](C)[C@H]1CCO[C@H](C)C1 ZINC000721409588 976627853 /nfs/dbraw/zinc/62/78/53/976627853.db2.gz IENPGKILGLVKHE-MXWKQRLJSA-N 2 0 200.326 1.081 20 0 BDADRP CO[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[NH2+]C2(C)C)C1 ZINC001335252982 976899337 /nfs/dbraw/zinc/89/93/37/976899337.db2.gz QZURPIVDIHFGDF-GMTAPVOTSA-N 2 0 212.337 1.284 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001335286148 976924298 /nfs/dbraw/zinc/92/42/98/976924298.db2.gz UMXVLGYNJMNBIN-BETUJISGSA-N 3 0 237.391 1.189 20 0 BDADRP Cc1[nH+]cn(C)c1Nc1cc[nH+]c(C)c1 ZINC001174653994 976942839 /nfs/dbraw/zinc/94/28/39/976942839.db2.gz YDKXCESJQYOQCD-UHFFFAOYSA-N 2 0 202.261 1.597 20 0 BDADRP Cc1ccc([C@H](O)C[NH2+]C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001335350255 976987272 /nfs/dbraw/zinc/98/72/72/976987272.db2.gz FODUYLFWISAGFX-DZGCQCFKSA-N 2 0 248.370 1.570 20 0 BDADRP COc1ccc(CC[NH2+][C@H](C)C[C@H](C)[NH3+])cn1 ZINC001335380387 977012670 /nfs/dbraw/zinc/01/26/70/977012670.db2.gz FRJMKPQPZVYSLV-WDEREUQCSA-N 2 0 237.347 1.348 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)CCC(C)C)C1 ZINC001335935883 977373593 /nfs/dbraw/zinc/37/35/93/977373593.db2.gz YPFVPZVVYZAFSN-UONOGXRCSA-N 2 0 242.407 1.715 20 0 BDADRP C[C@@H]([NH3+])CN1CC[C@@H](Cc2nccs2)C1 ZINC001336277064 977615594 /nfs/dbraw/zinc/61/55/94/977615594.db2.gz OFGOWAIYPGMUJZ-ZJUUUORDSA-N 2 0 225.361 1.355 20 0 BDADRP C[C@H](CCNc1ccnc(N)n1)[NH+]1CCCCC1 ZINC001336577831 977791203 /nfs/dbraw/zinc/79/12/03/977791203.db2.gz QXBOLJCBFLOIKI-LLVKDONJSA-N 2 0 249.362 1.735 20 0 BDADRP C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232012325 977838104 /nfs/dbraw/zinc/83/81/04/977838104.db2.gz YSTGVATUFLOZMR-SKDRFNHKSA-N 2 0 231.299 1.518 20 0 BDADRP O[C@@H]1CCCC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232011991 977839813 /nfs/dbraw/zinc/83/98/13/977839813.db2.gz RVBWBWHPBVGMCX-CYBMUJFWSA-N 2 0 245.326 1.910 20 0 BDADRP COC(=O)CC[N@H+](C)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232017435 977843583 /nfs/dbraw/zinc/84/35/83/977843583.db2.gz RZEVRWMKAKFSEI-UHFFFAOYSA-N 2 0 247.298 1.558 20 0 BDADRP CC(=O)[C@H]1CC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232015139 977844869 /nfs/dbraw/zinc/84/48/69/977844869.db2.gz BKURNAODVHYAOP-NSHDSACASA-N 2 0 243.310 1.974 20 0 BDADRP Cc1cc(C[NH+]2CCC3(C[NH+](C)C3)CC2)on1 ZINC001277605280 977875421 /nfs/dbraw/zinc/87/54/21/977875421.db2.gz JYHRDCTUDVGMDD-UHFFFAOYSA-N 2 0 235.331 1.511 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@H+](C[C@H]2CCCOC2)CC1 ZINC001206297521 978314867 /nfs/dbraw/zinc/31/48/67/978314867.db2.gz YTJRDHZEMUPKGW-KGLIPLIRSA-N 2 0 240.391 1.864 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](OCC[NH+]1CCCC1)C2 ZINC001206302725 978353547 /nfs/dbraw/zinc/35/35/47/978353547.db2.gz RKJUHGCYKWIBGC-WDNDVIMCSA-N 2 0 238.375 1.724 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C)C2)CCO1 ZINC000069863040 978766197 /nfs/dbraw/zinc/76/61/97/978766197.db2.gz FTXWAEUYJYVBPD-YNEHKIRRSA-N 2 0 226.364 1.485 20 0 BDADRP [NH3+][C@H](CN1C[C@@H]([NH3+])C[C@H](F)C1)c1ccccc1 ZINC001206403874 978779469 /nfs/dbraw/zinc/77/94/69/978779469.db2.gz JWTQTKPBULJNQD-RWMBFGLXSA-N 2 0 237.322 1.058 20 0 BDADRP CCOC(=O)CCC[NH2+]C1CC[NH+](CC)CC1 ZINC000070248041 978832055 /nfs/dbraw/zinc/83/20/55/978832055.db2.gz NFPHJPZKBZQVBQ-UHFFFAOYSA-N 2 0 242.363 1.404 20 0 BDADRP CC(=O)[C@H](C)[NH+]1CCC2(CC[N@H+](C)C2)CC1 ZINC001277888420 978904530 /nfs/dbraw/zinc/90/45/30/978904530.db2.gz JDGIFVWGDHZOEX-NSHDSACASA-N 2 0 224.348 1.382 20 0 BDADRP c1cc(CN2CC[NH2+]CC23CC3)cc2c1C[NH2+]C2 ZINC001234980763 978943761 /nfs/dbraw/zinc/94/37/61/978943761.db2.gz WLWSFTBIFMUWIZ-UHFFFAOYSA-N 2 0 243.354 1.228 20 0 BDADRP C(CN1CC[C@@H]2CC[NH2+][C@@H]2C1)[C@H]1CCCC[NH2+]1 ZINC001235018679 978952689 /nfs/dbraw/zinc/95/26/89/978952689.db2.gz RZINEEPKIGQNQV-BFHYXJOUSA-N 2 0 237.391 1.202 20 0 BDADRP Cc1c[nH+]ccc1N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001339998982 978953561 /nfs/dbraw/zinc/95/35/61/978953561.db2.gz LIJKREZLQKCEKQ-OUCADQQQSA-N 2 0 231.343 1.564 20 0 BDADRP C(C1CC2(C1)CC[NH2+]CC2)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235037029 978957684 /nfs/dbraw/zinc/95/76/84/978957684.db2.gz CWQPWXZZVPHEPA-UONOGXRCSA-N 2 0 249.402 1.202 20 0 BDADRP C([C@H]1CCC[NH2+]1)N1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235038291 978959439 /nfs/dbraw/zinc/95/94/39/978959439.db2.gz FMFIMZVDEICFAG-KGLIPLIRSA-N 2 0 237.391 1.347 20 0 BDADRP CCC[C@H](C)C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235052542 978962729 /nfs/dbraw/zinc/96/27/29/978962729.db2.gz GXWNHYMCXGNJIR-QWHCGFSZSA-N 2 0 225.380 1.060 20 0 BDADRP CC(C)(C)CC[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235056213 978968132 /nfs/dbraw/zinc/96/81/32/978968132.db2.gz WMEQDAIXRANKCJ-ZDUSSCGKSA-N 2 0 225.380 1.060 20 0 BDADRP [NH3+][C@@H]1C[C@@H](F)CN(Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001206437475 978970252 /nfs/dbraw/zinc/97/02/52/978970252.db2.gz WCUARTLVPUKJIW-GHMZBOCLSA-N 2 0 248.305 1.434 20 0 BDADRP [NH3+][C@H](CN1CCCCC12C[NH2+]C2)c1ccccc1 ZINC001235101626 978976818 /nfs/dbraw/zinc/97/68/18/978976818.db2.gz BPACFUBISNUJFU-CQSZACIVSA-N 2 0 245.370 1.514 20 0 BDADRP [NH3+][C@@]12C[C@@H]1CCN(Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001235175329 978989244 /nfs/dbraw/zinc/98/92/44/978989244.db2.gz ZTMQGPRMLCDDEQ-SMDDNHRTSA-N 2 0 242.326 1.486 20 0 BDADRP C(CN1C[C@H]2CCC[NH2+][C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC001235209206 978995646 /nfs/dbraw/zinc/99/56/46/978995646.db2.gz JEMSROVXDSJPIQ-MJBXVCDLSA-N 2 0 237.391 1.060 20 0 BDADRP c1cc(CN2CC3(C2)CCC[NH2+]3)cc2c1C[NH2+]C2 ZINC001235201335 978995844 /nfs/dbraw/zinc/99/58/44/978995844.db2.gz FXGWZKKJGBXCBI-UHFFFAOYSA-N 2 0 243.354 1.228 20 0 BDADRP C(C[NH2+]C1CCCCC1)CN1C[C@H]2C[C@@H](C1)[NH2+]2 ZINC001235414771 979040054 /nfs/dbraw/zinc/04/00/54/979040054.db2.gz OCFMNRQHVDHUMF-OKILXGFUSA-N 2 0 237.391 1.345 20 0 BDADRP CC(C)[C@@H]1CN(CCCCC[NH3+])CC[NH2+]1 ZINC001235472047 979051877 /nfs/dbraw/zinc/05/18/77/979051877.db2.gz YKWLEWZNBCMEKQ-LBPRGKRZSA-N 2 0 213.369 1.045 20 0 BDADRP Cc1ncn(C)c1C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001235547343 979094529 /nfs/dbraw/zinc/09/45/29/979094529.db2.gz GMKAYJFLKJXLCT-UHFFFAOYSA-N 2 0 248.374 1.256 20 0 BDADRP C[C@@H]([NH3+])CN1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC001235675373 979111912 /nfs/dbraw/zinc/11/19/12/979111912.db2.gz WUFRJQFFYKZZHX-TZMCWYRMSA-N 2 0 233.359 1.322 20 0 BDADRP C[C@H]([NH3+])CN1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001235677256 979117346 /nfs/dbraw/zinc/11/73/46/979117346.db2.gz FZNBAFKSMRYDBB-UONOGXRCSA-N 2 0 239.407 1.674 20 0 BDADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC(C)(C)CO)C2 ZINC001277962533 979124978 /nfs/dbraw/zinc/12/49/78/979124978.db2.gz AQXPKRFCTLFNGD-CQSZACIVSA-N 2 0 240.391 1.423 20 0 BDADRP [NH3+]CCCC[NH+]1CCC(Oc2ccccn2)CC1 ZINC001235695337 979125428 /nfs/dbraw/zinc/12/54/28/979125428.db2.gz QQRVSJJWCNAVGY-UHFFFAOYSA-N 2 0 249.358 1.664 20 0 BDADRP C[N@@H+]1CCC2(C1)CC[NH+](CC(C)(C)CO)CC2 ZINC001277962904 979126017 /nfs/dbraw/zinc/12/60/17/979126017.db2.gz FRZJCDLMHXAAJT-UHFFFAOYSA-N 2 0 240.391 1.423 20 0 BDADRP CC[N@H+](CCCC[NH3+])CCN1CCCC1 ZINC001235718750 979135432 /nfs/dbraw/zinc/13/54/32/979135432.db2.gz NBCJOQPFETZBOV-UHFFFAOYSA-N 2 0 213.369 1.143 20 0 BDADRP NC[C@@H]1CCC[N@@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001235726297 979136351 /nfs/dbraw/zinc/13/63/51/979136351.db2.gz WDBQVXOSZSHVIN-ZDUSSCGKSA-N 2 0 237.391 1.189 20 0 BDADRP CCC[N@H+](C)CC(=O)Nc1cccc2c1C[NH2+]C2 ZINC001340880708 979139323 /nfs/dbraw/zinc/13/93/23/979139323.db2.gz KKKIRZUOHQKAAL-UHFFFAOYSA-N 2 0 247.342 1.570 20 0 BDADRP [NH3+]CCN1C[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001235792770 979150205 /nfs/dbraw/zinc/15/02/05/979150205.db2.gz GBQHBKXELXVIOL-HUUCEWRRSA-N 2 0 245.370 1.151 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)C23CCC(CC2)[NH2+]3)cc1 ZINC001340908462 979153956 /nfs/dbraw/zinc/15/39/56/979153956.db2.gz WWIWOZGNKRWWFC-UHFFFAOYSA-N 2 0 245.326 1.368 20 0 BDADRP CC1(C)C[N@H+](CC[C@H]2CCC[NH2+]C2)CCN1 ZINC001235832658 979165370 /nfs/dbraw/zinc/16/53/70/979165370.db2.gz BBQRPHUMTAALPL-GFCCVEGCSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@H]([NH3+])CN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC001235839951 979169212 /nfs/dbraw/zinc/16/92/12/979169212.db2.gz IQCWUUIWQWMYDG-QEJZJMRPSA-N 2 0 245.370 1.292 20 0 BDADRP Cc1cc(F)cc(C)c1CN(CC[NH3+])CC[NH3+] ZINC001235881038 979178491 /nfs/dbraw/zinc/17/84/91/979178491.db2.gz TUXTZXNJRXQWHS-UHFFFAOYSA-N 2 0 239.338 1.162 20 0 BDADRP CCOC(=O)[C@H]1CCC[N@H+](CCCC[NH3+])[C@@H]1C ZINC001235881601 979178714 /nfs/dbraw/zinc/17/87/14/979178714.db2.gz GTQBNPUSZJJWSL-NEPJUHHUSA-N 2 0 242.363 1.389 20 0 BDADRP CC1(C)[C@@H]2C[N@@H+](C[C@@H]3CNC(C)(C)O3)C[C@@H]21 ZINC001235892731 979185488 /nfs/dbraw/zinc/18/54/88/979185488.db2.gz FDYUEGOSJTVFIF-GARJFASQSA-N 2 0 224.348 1.299 20 0 BDADRP CC(C)(C[NH3+])C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001340983686 979186327 /nfs/dbraw/zinc/18/63/27/979186327.db2.gz PDQRIJBFWCJDAA-UHFFFAOYSA-N 2 0 233.315 1.213 20 0 BDADRP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001340994825 979188463 /nfs/dbraw/zinc/18/84/63/979188463.db2.gz NINFYRBOVBQNNO-RNCFNFMXSA-N 2 0 247.342 1.602 20 0 BDADRP C[C@H]1CC[C@@H]([NH3+])CN1Cc1cccc(N)c1 ZINC001235900898 979194914 /nfs/dbraw/zinc/19/49/14/979194914.db2.gz CPADVIWCKOYQJK-GXFFZTMASA-N 2 0 219.332 1.580 20 0 BDADRP [NH3+][C@H]1CCN(CC[C@H]2CCCC[NH2+]2)CC1(F)F ZINC001235911969 979201142 /nfs/dbraw/zinc/20/11/42/979201142.db2.gz OPTSTKBIXOTDEN-MNOVXSKESA-N 2 0 247.333 1.187 20 0 BDADRP [NH3+]C[C@H]1C[N@H+](CCCCc2ccccc2)C[C@H]1O ZINC001206456287 979209432 /nfs/dbraw/zinc/20/94/32/979209432.db2.gz MVTLNHUHZMHOOA-LSDHHAIUSA-N 2 0 248.370 1.261 20 0 BDADRP CC(C)=CCC[C@H](C)C[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206457640 979230805 /nfs/dbraw/zinc/23/08/05/979230805.db2.gz SDQXYULQSIYACY-MELADBBJSA-N 2 0 240.391 1.620 20 0 BDADRP CCN(Cc1ccc(C[NH3+])cc1)[C@@H]1CC[NH2+]C1 ZINC001235969563 979232105 /nfs/dbraw/zinc/23/21/05/979232105.db2.gz DLBLJSZDBMVJDJ-CQSZACIVSA-N 2 0 233.359 1.329 20 0 BDADRP [NH3+][C@@]12CC[C@H]1C[N@H+](CC1Cc3ccccc3C1)C2 ZINC001235976999 979241605 /nfs/dbraw/zinc/24/16/05/979241605.db2.gz DTBYRWSXZQNMCH-JKSUJKDBSA-N 2 0 242.366 1.825 20 0 BDADRP C[C@H]([NH3+])CN1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001235972936 979241858 /nfs/dbraw/zinc/24/18/58/979241858.db2.gz ISJPKKPXMWZVBZ-IHRRRGAJSA-N 2 0 239.407 1.672 20 0 BDADRP C[NH+]1CCC(CCN2C[C@@H]3CC[C@]3([NH3+])C2)CC1 ZINC001235979947 979251633 /nfs/dbraw/zinc/25/16/33/979251633.db2.gz OTYZCYZXWTVJLR-KBPBESRZSA-N 2 0 237.391 1.141 20 0 BDADRP C[NH+]1CCC(C)(CN2C[C@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001235980966 979258991 /nfs/dbraw/zinc/25/89/91/979258991.db2.gz SQOCATRWCNZMMI-TZMCWYRMSA-N 2 0 237.391 1.141 20 0 BDADRP [NH3+][C@@]12CC[C@H]1CN(Cc1ccc3c(c1)C[NH2+]C3)C2 ZINC001235986375 979269003 /nfs/dbraw/zinc/26/90/03/979269003.db2.gz DURJTBSRXWLDCD-LSDHHAIUSA-N 2 0 243.354 1.213 20 0 BDADRP [NH3+]Cc1cccc(CN2C[C@H]3CC[C@]3([NH3+])C2)c1 ZINC001235995619 979285306 /nfs/dbraw/zinc/28/53/06/979285306.db2.gz VLIWVMSRROSGCQ-KGLIPLIRSA-N 2 0 231.343 1.068 20 0 BDADRP CC1(C)[NH2+]C[C@@H](CN2CC3(C2)CCCCC3)O1 ZINC001235993408 979286159 /nfs/dbraw/zinc/28/61/59/979286159.db2.gz NKORQWVDGVZREU-LBPRGKRZSA-N 2 0 238.375 1.977 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CN(CC2(C)CC[NH2+]CC2)C1 ZINC001236046009 979345690 /nfs/dbraw/zinc/34/56/90/979345690.db2.gz ZSDFVDDDKPSUKJ-VXGBXAGGSA-N 2 0 225.380 1.045 20 0 BDADRP C(CN1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@H]1CCCC[NH2+]1 ZINC001236095039 979385422 /nfs/dbraw/zinc/38/54/22/979385422.db2.gz LHAYUOXVHOIMTJ-MCIONIFRSA-N 2 0 237.391 1.345 20 0 BDADRP C[C@H]1CN(C[C@@H]([NH3+])c2ccccc2)CCC[NH2+]1 ZINC001236097683 979388904 /nfs/dbraw/zinc/38/89/04/979388904.db2.gz LSUZYBMXWSZJOB-GXTWGEPZSA-N 2 0 233.359 1.370 20 0 BDADRP CC(C)[C@@H]1CCC[N@@H+]1C[C@@H]1CNC(C)(C)O1 ZINC001236108004 979395383 /nfs/dbraw/zinc/39/53/83/979395383.db2.gz GLUVZDMSOYWXAH-RYUDHWBXSA-N 2 0 226.364 1.831 20 0 BDADRP CCCC[C@@H]1CN(C[C@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001236136557 979408412 /nfs/dbraw/zinc/40/84/12/979408412.db2.gz XQLYGWVVLFZTHA-ZIAGYGMSSA-N 2 0 239.407 1.593 20 0 BDADRP CC(=O)N1CC[C@H]([N@@H+](CCCC[NH3+])C(C)C)C1 ZINC001236211442 979449397 /nfs/dbraw/zinc/44/93/97/979449397.db2.gz IFSILGNKJAFOOK-ZDUSSCGKSA-N 2 0 241.379 1.057 20 0 BDADRP C[N@H+](CC1(C)CC[NH2+]CC1)[C@H]1CCCC[C@H]1N ZINC001236214681 979452826 /nfs/dbraw/zinc/45/28/26/979452826.db2.gz UQPVNCUAYMZOJU-OLZOCXBDSA-N 2 0 239.407 1.578 20 0 BDADRP [NH3+]C[C@H]1CCCN1Cc1ccc2c(c1)NCCC2 ZINC001236252367 979470908 /nfs/dbraw/zinc/47/09/08/979470908.db2.gz KDFXZTATXARKPH-CQSZACIVSA-N 2 0 245.370 1.968 20 0 BDADRP CC[NH+]1CCC(C[NH2+]C(C)(C)CN(C)C)CC1 ZINC001182194891 979471973 /nfs/dbraw/zinc/47/19/73/979471973.db2.gz BHWVZZBFNSUZDX-UHFFFAOYSA-N 2 0 241.423 1.648 20 0 BDADRP c1ncc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)s1 ZINC001236314914 979525731 /nfs/dbraw/zinc/52/57/31/979525731.db2.gz IXZJXFSRKFXYQL-PHIMTYICSA-N 2 0 237.372 1.575 20 0 BDADRP O=c1cccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)[nH]1 ZINC001236314401 979526461 /nfs/dbraw/zinc/52/64/61/979526461.db2.gz CWQIGOQRJBBIMO-TXEJJXNPSA-N 2 0 247.342 1.219 20 0 BDADRP Cc1ncc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)o1 ZINC001236321959 979531598 /nfs/dbraw/zinc/53/15/98/979531598.db2.gz XSWXEIDTMYQNIO-TXEJJXNPSA-N 2 0 235.331 1.414 20 0 BDADRP CC1([NH+]2CCCC2)CC[NH+](CCCC[NH3+])CC1 ZINC001236321358 979533173 /nfs/dbraw/zinc/53/31/73/979533173.db2.gz LIQAGYFYOWDKBA-UHFFFAOYSA-N 3 0 239.407 1.676 20 0 BDADRP [NH3+]Cc1ccnc(-c2cccc3c2CC[NH2+]C3)c1 ZINC001236338746 979543509 /nfs/dbraw/zinc/54/35/09/979543509.db2.gz AZAIXPSTTCJWHH-UHFFFAOYSA-N 2 0 239.322 1.853 20 0 BDADRP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC001236414117 979576162 /nfs/dbraw/zinc/57/61/62/979576162.db2.gz JSOYFHZBKPLADY-YPMHNXCESA-N 3 0 225.380 1.188 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCCN1Cc1cccc(C[NH3+])c1 ZINC001236421041 979590381 /nfs/dbraw/zinc/59/03/81/979590381.db2.gz SGLWHAORECHWCT-BXUZGUMPSA-N 2 0 233.359 1.457 20 0 BDADRP C[NH2+]CCCN(CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236456725 979601350 /nfs/dbraw/zinc/60/13/50/979601350.db2.gz GCZBHJBJROSCRZ-UHFFFAOYSA-N 3 0 241.423 1.696 20 0 BDADRP [NH3+][C@H]1CC[C@H]([N@H+](CCO)Cc2ccncc2)CC1 ZINC001236562661 979634726 /nfs/dbraw/zinc/63/47/26/979634726.db2.gz VMDVAUAVPYUIJX-HDJSIYSDSA-N 2 0 249.358 1.146 20 0 BDADRP CC[C@@H]([NH3+])CN1CCCC[C@](C)(C[NH3+])C1 ZINC001206541719 979644036 /nfs/dbraw/zinc/64/40/36/979644036.db2.gz IFNACGKQOJMWLV-VXGBXAGGSA-N 2 0 213.369 1.175 20 0 BDADRP C([C@@H]1CC[NH2+]1)N([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236649304 979687681 /nfs/dbraw/zinc/68/76/81/979687681.db2.gz WBTQKZTXFURDGG-JSGCOSHPSA-N 2 0 237.391 1.345 20 0 BDADRP CC[NH2+][C@@H](C)CN(C)C(=O)CCCC[NH+](C)C ZINC001277995298 979687803 /nfs/dbraw/zinc/68/78/03/979687803.db2.gz OTFKOIRTRHTLKH-LBPRGKRZSA-N 2 0 243.395 1.175 20 0 BDADRP C[C@H]([NH3+])CN([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236647218 979688557 /nfs/dbraw/zinc/68/85/57/979688557.db2.gz LDJSFBOECMFBDH-AAEUAGOBSA-N 2 0 225.380 1.330 20 0 BDADRP CC(C)(C[NH3+])CC(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001342214550 979711134 /nfs/dbraw/zinc/71/11/34/979711134.db2.gz ZAAYVMPSYPFGNV-LLVKDONJSA-N 2 0 241.379 1.010 20 0 BDADRP C[C@]1(C[NH3+])CCCC[N@H+](Cc2ccncc2N)C1 ZINC001206555978 979719126 /nfs/dbraw/zinc/71/91/26/979719126.db2.gz LJDOHZOLURIWPJ-CQSZACIVSA-N 2 0 248.374 1.615 20 0 BDADRP CCC[N@H+](CCCCCO)C[C@H]1CC[NH2+]C1 ZINC001236826923 979743636 /nfs/dbraw/zinc/74/36/36/979743636.db2.gz DBCXLJDVNXWWRH-ZDUSSCGKSA-N 2 0 228.380 1.471 20 0 BDADRP CCCN(C[C@H]1CCC[NH2+]1)C[C@H]1CC[NH2+]C1 ZINC001236832683 979745711 /nfs/dbraw/zinc/74/57/11/979745711.db2.gz WQXIMRMHKIGPDM-QWHCGFSZSA-N 2 0 225.380 1.060 20 0 BDADRP CC[C@H]([NH3+])C[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC001236861269 979765528 /nfs/dbraw/zinc/76/55/28/979765528.db2.gz YKRWCCOVUICNNV-NEPJUHHUSA-N 3 0 213.369 1.045 20 0 BDADRP C[C@H](N)C[N@H+](C)CC1CC2(C1)CC[NH2+]CC2 ZINC001236884425 979776696 /nfs/dbraw/zinc/77/66/96/979776696.db2.gz QYNZYNPYLSSYOK-NSHDSACASA-N 2 0 225.380 1.045 20 0 BDADRP OCCC[NH+]1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236947022 979797771 /nfs/dbraw/zinc/79/77/71/979797771.db2.gz HCZRFZLZZJQZKX-UHFFFAOYSA-N 2 0 240.391 1.471 20 0 BDADRP CCCCOC(=O)[C@H]1CC[N@H+](CCCC[NH3+])C1 ZINC001237016039 979805138 /nfs/dbraw/zinc/80/51/38/979805138.db2.gz NQTYDNZTWJSUAV-LBPRGKRZSA-N 2 0 242.363 1.391 20 0 BDADRP C[C@]1([NH3+])CCC[N@H+](Cc2ccc(C[NH3+])cc2)CC1 ZINC001205273194 979831188 /nfs/dbraw/zinc/83/11/88/979831188.db2.gz HJLPRFMZVCXABT-HNNXBMFYSA-N 3 0 247.386 1.849 20 0 BDADRP C[N@H+]1C[C@@H]2C[NH+](CC3OC=CC3=S)C[C@@H]2C1 ZINC001237185608 979838533 /nfs/dbraw/zinc/83/85/33/979838533.db2.gz ZVOTZAOFBYIWHI-AOOOYVTPSA-N 2 0 238.356 1.562 20 0 BDADRP CC1(C[N@@H+]2CCNC3=CCCC[C@H]32)CC[NH2+]CC1 ZINC001237222145 979851337 /nfs/dbraw/zinc/85/13/37/979851337.db2.gz ZSWLPHMAUVNXBG-CQSZACIVSA-N 2 0 249.402 1.718 20 0 BDADRP C1=C2[NH2+]CCN(C[C@@H]3CCCC[NH2+]3)[C@H]2CCC1 ZINC001237220886 979853233 /nfs/dbraw/zinc/85/32/33/979853233.db2.gz TUIYVRSBKSKHHW-JSGCOSHPSA-N 2 0 235.375 1.470 20 0 BDADRP Nc1cc[nH+]cc1CN1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237384751 979882196 /nfs/dbraw/zinc/88/21/96/979882196.db2.gz XWRJBPIAJROFMJ-SMDDNHRTSA-N 2 0 246.358 1.068 20 0 BDADRP Cc1ncn(C)c1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205289121 979935137 /nfs/dbraw/zinc/93/51/37/979935137.db2.gz SUXZRWCODKNQID-CYBMUJFWSA-N 2 0 236.363 1.432 20 0 BDADRP CCCCN(C)CC[NH2+]CC1CC[NH+](C)CC1 ZINC001342930687 979943488 /nfs/dbraw/zinc/94/34/88/979943488.db2.gz FYQAPCOKQKJMAM-UHFFFAOYSA-N 3 0 241.423 1.650 20 0 BDADRP CS[C@@H]1CC[C@@H]1[NH2+]C[C@H]1C[NH+]2CCC1CC2 ZINC001184134905 979946810 /nfs/dbraw/zinc/94/68/10/979946810.db2.gz JUJRUXGFBWUXQO-RWMBFGLXSA-N 2 0 240.416 1.812 20 0 BDADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001343084062 980001533 /nfs/dbraw/zinc/00/15/33/980001533.db2.gz BOCWJSBFDDEEGM-WOPDTQHZSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@@H]([NH2+]C1CC1)C(=O)Nc1ccccc1C[NH3+] ZINC001343110791 980011507 /nfs/dbraw/zinc/01/15/07/980011507.db2.gz VWUVDOBPBFHVEF-SECBINFHSA-N 2 0 233.315 1.224 20 0 BDADRP C[C@@H]1CCN(C[C@@H]([NH3+])c2ccccc2)C[C@H]1C[NH3+] ZINC001205297149 980072867 /nfs/dbraw/zinc/07/28/67/980072867.db2.gz ZYAMYZZNLXHSCU-BPLDGKMQSA-N 2 0 247.386 1.603 20 0 BDADRP C[N@@H+](Cc1c[nH]ccc1=O)CC1CC[NH+](C)CC1 ZINC001237840228 980092535 /nfs/dbraw/zinc/09/25/35/980092535.db2.gz NTECZSRMEXRGEV-UHFFFAOYSA-N 2 0 249.358 1.149 20 0 BDADRP [NH3+]Cc1ccnc(C2=CCC[NH2+]CC2)c1 ZINC001238935191 980372453 /nfs/dbraw/zinc/37/24/53/980372453.db2.gz YBZWALPLMNALBH-UHFFFAOYSA-N 2 0 203.289 1.307 20 0 BDADRP COc1ccccc1CC1(C[NH3+])CC[NH2+]CC1 ZINC001239324795 980533521 /nfs/dbraw/zinc/53/35/21/980533521.db2.gz HEGXXOGLCHSPQN-UHFFFAOYSA-N 2 0 234.343 1.566 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@H](COC)C1CCCC1 ZINC001345482161 980619089 /nfs/dbraw/zinc/61/90/89/980619089.db2.gz KSPPGHHKVNMBKQ-DGCLKSJQSA-N 2 0 228.380 1.779 20 0 BDADRP CC(C)(N)c1nc([C@H](N)c2ccccc2)no1 ZINC001345930034 980711364 /nfs/dbraw/zinc/71/13/64/980711364.db2.gz JKPOUTNTMFPQFD-SECBINFHSA-N 2 0 232.287 1.312 20 0 BDADRP [NH3+]CCCCCC(=O)NC[C@@H]1CCC[NH2+]CC1 ZINC001346430992 980835949 /nfs/dbraw/zinc/83/59/49/980835949.db2.gz VKTNDBSRTBEBME-GFCCVEGCSA-N 2 0 241.379 1.011 20 0 BDADRP [NH3+]C[C@@]1(F)CCC[N@H+](C[C@@H]2CCCCO2)CC1 ZINC001205546824 980953072 /nfs/dbraw/zinc/95/30/72/980953072.db2.gz YWZKRZAZJVTXIJ-QWHCGFSZSA-N 2 0 244.354 1.708 20 0 BDADRP C[C@H]1CC[N@H+](Cc2ccnn2C)CC[C@H]1C[NH3+] ZINC001205603010 981170344 /nfs/dbraw/zinc/17/03/44/981170344.db2.gz MQXAESKZCAYQIW-RYUDHWBXSA-N 2 0 236.363 1.227 20 0 BDADRP C[N@H+](CCCCNc1cc(N)ncn1)C1CC1 ZINC001348205240 981308112 /nfs/dbraw/zinc/30/81/12/981308112.db2.gz BUVMRRLAIFMADD-UHFFFAOYSA-N 2 0 235.335 1.345 20 0 BDADRP Cc1ncc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)o1 ZINC001205637840 981380591 /nfs/dbraw/zinc/38/05/91/981380591.db2.gz JLMKVTXZWQFZSS-JQWIXIFHSA-N 2 0 237.347 1.790 20 0 BDADRP C[C@H]1CC[N@H+](Cc2ccc(N)nc2)CC[C@H]1C[NH3+] ZINC001205638332 981395393 /nfs/dbraw/zinc/39/53/93/981395393.db2.gz MOJACHXQKLUAKC-AAEUAGOBSA-N 2 0 248.374 1.471 20 0 BDADRP C[NH+](C)Cc1ccnc(C2=CC[NH2+]CC2)c1 ZINC001240466422 981400005 /nfs/dbraw/zinc/40/00/05/981400005.db2.gz HNGGATZNNTUPSQ-UHFFFAOYSA-N 2 0 217.316 1.520 20 0 BDADRP C[C@H]1CC[N@H+](Cc2c[nH]ccc2=O)CC[C@@H]1C[NH3+] ZINC001205652255 981548691 /nfs/dbraw/zinc/54/86/91/981548691.db2.gz OSZUYEDZMWJYSN-NWDGAFQWSA-N 2 0 249.358 1.182 20 0 BDADRP O[C@]1(C[N@@H+]2CC[C@@H](C3CCC3)C2)CCC[NH2+]C1 ZINC001580878607 981667281 /nfs/dbraw/zinc/66/72/81/981667281.db2.gz SKYPZAFUDLXMEA-ZIAGYGMSSA-N 2 0 238.375 1.223 20 0 BDADRP O[C@@H](C[N@@H+]1C[C@H]2CCCC[C@H]21)C1CC[NH2+]CC1 ZINC001580878960 981673385 /nfs/dbraw/zinc/67/33/85/981673385.db2.gz XTJIDRSODKSCFV-MCIONIFRSA-N 2 0 238.375 1.221 20 0 BDADRP OC1(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)CCC1 ZINC001580878014 981673884 /nfs/dbraw/zinc/67/38/84/981673884.db2.gz JUDAMQJNIFCXDB-CYBMUJFWSA-N 2 0 238.375 1.223 20 0 BDADRP OCC[C@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001580883568 981696485 /nfs/dbraw/zinc/69/64/85/981696485.db2.gz UXJWEYPXYWFJJC-JHJVBQTASA-N 2 0 226.364 1.127 20 0 BDADRP O[C@H]1CCCC[C@H]1CC[NH2+]C1CC[NH2+]CC1 ZINC001580885986 981705203 /nfs/dbraw/zinc/70/52/03/981705203.db2.gz UFOLYHYVYCRQID-AAEUAGOBSA-N 2 0 226.364 1.269 20 0 BDADRP OCc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]CC2)o1 ZINC001580884908 981707008 /nfs/dbraw/zinc/70/70/08/981707008.db2.gz UZZNWEKXWOZASE-LLVKDONJSA-N 2 0 238.331 1.251 20 0 BDADRP c1cc2nsnc2c(C[NH2+]CC2C[NH2+]C2)c1 ZINC001580888361 981715146 /nfs/dbraw/zinc/71/51/46/981715146.db2.gz YDSBZEYATOWLGZ-UHFFFAOYSA-N 2 0 234.328 1.000 20 0 BDADRP CCCCCC[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205662942 981769183 /nfs/dbraw/zinc/76/91/83/981769183.db2.gz GBJWDAIPWIJSKP-CYBMUJFWSA-N 2 0 228.380 1.742 20 0 BDADRP CC[C@@H](C(=O)NCCC(C)(C)[NH3+])[NH+](CC)CC ZINC001349876000 981801938 /nfs/dbraw/zinc/80/19/38/981801938.db2.gz ZMULLBZFCOAYOR-NSHDSACASA-N 2 0 243.395 1.350 20 0 BDADRP Cc1ccc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)cc1 ZINC001205664061 981804604 /nfs/dbraw/zinc/80/46/04/981804604.db2.gz LCMAHZCKYCEJAD-HNNXBMFYSA-N 2 0 248.370 1.671 20 0 BDADRP C(c1ccc(OC2C[NH2+]C2)cn1)=C1CC[NH2+]CC1 ZINC001240877361 981929369 /nfs/dbraw/zinc/92/93/69/981929369.db2.gz HJJSZEZSNSKECK-UHFFFAOYSA-N 2 0 245.326 1.199 20 0 BDADRP C[C@@H]1CCOCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC001352775837 982571189 /nfs/dbraw/zinc/57/11/89/982571189.db2.gz ATAHNPUPIDXJFK-VXGBXAGGSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@H]1CC[C@@H](CN)[N@H+](CCC2CC[NH2+]CC2)C1 ZINC001205807117 982574776 /nfs/dbraw/zinc/57/47/76/982574776.db2.gz YAVAFCARIQLJSA-JSGCOSHPSA-N 2 0 239.407 1.435 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC001352791641 982579942 /nfs/dbraw/zinc/57/99/42/982579942.db2.gz YSRGAKQNLYAIRV-NSHDSACASA-N 3 0 221.348 1.090 20 0 BDADRP C[C@H](CC[NH3+])NC(=O)[C@@H]([NH3+])C1CCCCCC1 ZINC001353602224 982914704 /nfs/dbraw/zinc/91/47/04/982914704.db2.gz JOQHRBGKJOXZQU-PWSUYJOCSA-N 2 0 241.379 1.138 20 0 BDADRP C[C@@H]1CCN(CC2(C)CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC001205862976 982923481 /nfs/dbraw/zinc/92/34/81/982923481.db2.gz HFRSVLSLUOUVHC-NEPJUHHUSA-N 2 0 225.380 1.045 20 0 BDADRP C[C@H](O)C[NH2+]CC1CC[NH+](CC(C)(C)C)CC1 ZINC001251973418 983058917 /nfs/dbraw/zinc/05/89/17/983058917.db2.gz FHPZOETXGHELID-LBPRGKRZSA-N 2 0 242.407 1.715 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)c1ccccc1C[NH3+] ZINC001353929149 983088001 /nfs/dbraw/zinc/08/80/01/983088001.db2.gz RHUWTOVTLQQHIT-VXGBXAGGSA-N 2 0 247.342 1.001 20 0 BDADRP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1CC1(F)CC[NH2+]CC1 ZINC001205902694 983117156 /nfs/dbraw/zinc/11/71/56/983117156.db2.gz KYFRXCCTCJIIJR-NEPJUHHUSA-N 3 0 243.370 1.137 20 0 BDADRP C[C@@H]1[C@@H](C[NH3+])CCCN1C[C@@H]([NH3+])c1ccccc1 ZINC001205905178 983133245 /nfs/dbraw/zinc/13/32/45/983133245.db2.gz ZHTWQBXMBMOEFL-BPLDGKMQSA-N 2 0 247.386 1.746 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](Nc2nccnc2C[NH3+])C1(C)C ZINC001354227003 983209213 /nfs/dbraw/zinc/20/92/13/983209213.db2.gz UGMBWNOYMCLBDY-MNOVXSKESA-N 2 0 249.362 1.076 20 0 BDADRP CC[NH+]1C[C@H]2C[NH+](CC(C)(C)C)C[C@@H]2C1 ZINC001201447808 983251798 /nfs/dbraw/zinc/25/17/98/983251798.db2.gz SDROAJWSPAGOMO-RYUDHWBXSA-N 2 0 210.365 1.916 20 0 BDADRP CC[C@@H](C)C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001201501738 983273706 /nfs/dbraw/zinc/27/37/06/983273706.db2.gz AOTSPEFTFSOKSL-UPJWGTAASA-N 2 0 210.365 1.916 20 0 BDADRP CCC[N@H+]1C[C@@H]2C[NH+](CC(C)C)C[C@@H]2C1 ZINC001201478455 983282000 /nfs/dbraw/zinc/28/20/00/983282000.db2.gz KOSUUMNBNGHQKO-BETUJISGSA-N 2 0 210.365 1.916 20 0 BDADRP CC[C@H](C)C[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001201516768 983313405 /nfs/dbraw/zinc/31/34/05/983313405.db2.gz AZKLPVCEAPWBGF-YNEHKIRRSA-N 2 0 210.365 1.916 20 0 BDADRP CC[N@H+]1CCc2ncc(Cn3cccn3)n2CC1 ZINC001201581274 983340168 /nfs/dbraw/zinc/34/01/68/983340168.db2.gz QBKWMGVZFBCCNG-UHFFFAOYSA-N 2 0 245.330 1.006 20 0 BDADRP [NH3+][C@@H]1CCCCN(CC[C@@H]2CCCC[NH2+]2)C1 ZINC001205923376 983342667 /nfs/dbraw/zinc/34/26/67/983342667.db2.gz NLHOUZFXFOJFMO-OLZOCXBDSA-N 2 0 225.380 1.332 20 0 BDADRP CC[NH+]1C[C@@H]2C[NH+](CCC(C)C)C[C@H]2C1 ZINC001201629764 983359789 /nfs/dbraw/zinc/35/97/89/983359789.db2.gz AWGZBGDWFJSUOE-CHWSQXEVSA-N 2 0 210.365 1.916 20 0 BDADRP CC(C)([NH3+])c1ccc(NC(=O)C2(C)C[NH2+]C2)cc1 ZINC001355598119 983529436 /nfs/dbraw/zinc/52/94/36/983529436.db2.gz DEBQIPKFKKNVAL-UHFFFAOYSA-N 2 0 247.342 1.428 20 0 BDADRP CCCC[C@@H](O)C[NH2+]C[C@H]1CC[N@H+](C)C1 ZINC001252107109 983666087 /nfs/dbraw/zinc/66/60/87/983666087.db2.gz DXTYARPXYQBCBQ-VXGBXAGGSA-N 2 0 214.353 1.079 20 0 BDADRP [NH3+]Cc1ccccc1C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC001357454700 983719617 /nfs/dbraw/zinc/71/96/17/983719617.db2.gz XDTMHYVLZRKWBC-GFCCVEGCSA-N 2 0 247.342 1.017 20 0 BDADRP CCOCCC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925490326 983796446 /nfs/dbraw/zinc/79/64/46/983796446.db2.gz SLJWXFUELNKVOY-SNVBAGLBSA-N 2 0 200.326 1.143 20 0 BDADRP CC(C)C[NH2+]CC(=O)Nc1cccc2c1C[NH2+]C2 ZINC001358059605 983817330 /nfs/dbraw/zinc/81/73/30/983817330.db2.gz KDBOZXOWPBTGAL-UHFFFAOYSA-N 2 0 247.342 1.474 20 0 BDADRP C[N@H+](C1CC1)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001202512623 983837492 /nfs/dbraw/zinc/83/74/92/983837492.db2.gz GBWNAVGPZRBEMZ-GFCCVEGCSA-N 2 0 238.375 1.582 20 0 BDADRP CN1CCC[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]21 ZINC001202598202 984106785 /nfs/dbraw/zinc/10/67/85/984106785.db2.gz GOJDVIFBKIOUSD-ZIAGYGMSSA-N 2 0 238.375 1.439 20 0 BDADRP C(C1=NOCC1)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001574801603 984116464 /nfs/dbraw/zinc/11/64/64/984116464.db2.gz SOFHHWGSUOLCAH-UHFFFAOYSA-N 2 0 237.347 1.228 20 0 BDADRP C[C@@H](C(=O)Nc1ccc2c[nH+]cn2c1)[C@H](C)[NH3+] ZINC001576097081 984152217 /nfs/dbraw/zinc/15/22/17/984152217.db2.gz SITLBBXEVZTOFM-BDAKNGLRSA-N 2 0 232.287 1.256 20 0 BDADRP C[C@@H]([NH2+]C1CC2(CC([NH3+])C2)C1)[C@@H]1CCOC1 ZINC001576239482 984157584 /nfs/dbraw/zinc/15/75/84/984157584.db2.gz NRJLLDRJFBOKKO-PFNXBAIMSA-N 2 0 224.348 1.271 20 0 BDADRP C[C@H](O)C(C)(C)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC001576261904 984159929 /nfs/dbraw/zinc/15/99/29/984159929.db2.gz CEZOBPQKPVOLRG-GARJFASQSA-N 2 0 214.353 1.253 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2CC23CC(O)C3)C1 ZINC001576478501 984169937 /nfs/dbraw/zinc/16/99/37/984169937.db2.gz ACJSERAHPQHLKQ-ATWGWHJKSA-N 2 0 238.375 1.268 20 0 BDADRP C[C@@]1(C[NH2+][C@]23C[C@H]2COC32CCC2)CC[NH2+]C1 ZINC001576525222 984171765 /nfs/dbraw/zinc/17/17/65/984171765.db2.gz CIGDMINDLUQXEE-OUCADQQQSA-N 2 0 236.359 1.287 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cc[nH]n2)CCC[C@H]1C[NH3+] ZINC001205981836 984187369 /nfs/dbraw/zinc/18/73/69/984187369.db2.gz HSENSZPMEIQUOW-MNOVXSKESA-N 2 0 222.336 1.217 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCC=CO2)CCC[C@@H]1C[NH3+] ZINC001205984471 984217381 /nfs/dbraw/zinc/21/73/81/984217381.db2.gz SCSOIVVQJCEMIH-MCIONIFRSA-N 2 0 238.375 1.986 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H](N[C@@H]3C[C@@H]([NH3+])C34CCC4)[C@@H]2C1 ZINC001578521159 984217387 /nfs/dbraw/zinc/21/73/87/984217387.db2.gz MGPMOLUOWRSYEY-MEBFFEOJSA-N 2 0 249.402 1.186 20 0 BDADRP C[NH2+]C[C@@H](O)C[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC001578654387 984219577 /nfs/dbraw/zinc/21/95/77/984219577.db2.gz OJNVNLDFPCWKMB-CABCVRRESA-N 2 0 248.370 1.794 20 0 BDADRP C[NH2+]C[C@@H](O)C[N@H+](C)CC12CCC(CC1)C2 ZINC001578653337 984222724 /nfs/dbraw/zinc/22/27/24/984222724.db2.gz WEPFIUSFDPSSFF-OTTFEQOBSA-N 2 0 226.364 1.079 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC001579003317 984252377 /nfs/dbraw/zinc/25/23/77/984252377.db2.gz FFCBQNIRABIWLH-XQQFMLRXSA-N 2 0 242.363 1.042 20 0 BDADRP CCCC[NH+]1CC2(CCN2CC[NH+](C)C)C1 ZINC001275117376 984491742 /nfs/dbraw/zinc/49/17/42/984491742.db2.gz CQGAWNMLPRSWPU-UHFFFAOYSA-N 2 0 225.380 1.108 20 0 BDADRP CCC[N@@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001275108829 984493794 /nfs/dbraw/zinc/49/37/94/984493794.db2.gz YCJPAHYCHNRTAC-STQMWFEESA-N 2 0 225.380 1.107 20 0 BDADRP CCCC[N@@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001275117907 984494031 /nfs/dbraw/zinc/49/40/31/984494031.db2.gz OOHVPKKQYRMOFT-KBPBESRZSA-N 2 0 239.407 1.497 20 0 BDADRP CCCCC[NH+]1CC2(CCN2CC[NH+](C)C)C1 ZINC001275120339 984498375 /nfs/dbraw/zinc/49/83/75/984498375.db2.gz IGGFWPGPCGTNBD-UHFFFAOYSA-N 2 0 239.407 1.498 20 0 BDADRP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001275137819 984501486 /nfs/dbraw/zinc/50/14/86/984501486.db2.gz GBHWWPQSDDAXAZ-OKILXGFUSA-N 2 0 237.391 1.107 20 0 BDADRP C[NH+](C)CCN1CCC12C[NH+](CC1CCC1)C2 ZINC001275181860 984514615 /nfs/dbraw/zinc/51/46/15/984514615.db2.gz BOEGRUVFNVLQCX-UHFFFAOYSA-N 2 0 237.391 1.108 20 0 BDADRP C[N@H+]1CC[C@H]2C[NH+](Cc3cn[nH]c3)C[C@H]2CC1 ZINC001275210797 984521888 /nfs/dbraw/zinc/52/18/88/984521888.db2.gz CSCJMICNBJYFQL-BETUJISGSA-N 2 0 234.347 1.183 20 0 BDADRP C[NH+](C)Cc1cncc(C2=CC[NH2+]C2)c1 ZINC001243111112 984578307 /nfs/dbraw/zinc/57/83/07/984578307.db2.gz MTLHOMAIQWPXPP-UHFFFAOYSA-N 2 0 203.289 1.130 20 0 BDADRP COc1ccc(C2=CC[NH2+]C2)c(C[NH+](C)C)c1 ZINC001243115070 984586013 /nfs/dbraw/zinc/58/60/13/984586013.db2.gz JPVRHWCARHRJDE-UHFFFAOYSA-N 2 0 232.327 1.743 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@H]1C[C@@H]([NH3+])C1(C)C ZINC001577697725 984639402 /nfs/dbraw/zinc/63/94/02/984639402.db2.gz RNXBSDDNTQGPKW-UTUOFQBUSA-N 2 0 227.396 1.432 20 0 BDADRP CCN(Cc1cccc(N(C)C)n1)[C@H]1CC[NH2+]C1 ZINC001577738274 984683276 /nfs/dbraw/zinc/68/32/76/984683276.db2.gz QKWVZFDYCCOXFA-ZDUSSCGKSA-N 2 0 248.374 1.331 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)CC1 ZINC001577763402 984743750 /nfs/dbraw/zinc/74/37/50/984743750.db2.gz AKHBEDFYHCFIIT-AWEZNQCLSA-N 3 0 239.407 1.389 20 0 BDADRP CC[NH+]1CCC(C[NH2+]C(C)(C)CN)CC1 ZINC001577764418 984744125 /nfs/dbraw/zinc/74/41/25/984744125.db2.gz ZZNSNELSMZPDPQ-UHFFFAOYSA-N 2 0 213.369 1.045 20 0 BDADRP CCN1CCC[C@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001577771164 984783122 /nfs/dbraw/zinc/78/31/22/984783122.db2.gz SPWALJCMHNNUPR-XQQFMLRXSA-N 2 0 225.380 1.188 20 0 BDADRP CC[NH2+]CCC[NH2+]CC(C)(C)COC ZINC001577846163 984810988 /nfs/dbraw/zinc/81/09/88/984810988.db2.gz ZGNYCDBKWIXSEH-UHFFFAOYSA-N 2 0 202.342 1.248 20 0 BDADRP CCOC(=O)C1(C)CC([NH2+][C@@H](C)[C@@H](C)[NH3+])C1 ZINC001577925393 984821603 /nfs/dbraw/zinc/82/16/03/984821603.db2.gz INBBRUQHPQJUSI-GHHKWEBWSA-N 2 0 228.336 1.044 20 0 BDADRP CCOC(=O)CCC[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC001577945341 984830108 /nfs/dbraw/zinc/83/01/08/984830108.db2.gz GXGZISZBUCKMMQ-LBPRGKRZSA-N 2 0 242.363 1.533 20 0 BDADRP CCOC(CC[NH2+]CC12CC(C1)C[NH2+]2)OCC ZINC001578072692 984839584 /nfs/dbraw/zinc/83/95/84/984839584.db2.gz BGVMDULOFALQFQ-UHFFFAOYSA-N 2 0 242.363 1.117 20 0 BDADRP CCOC1CC(C[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(C)C2)C1 ZINC001578087453 984844176 /nfs/dbraw/zinc/84/41/76/984844176.db2.gz LLYSKUDTWKVJQB-HHTDUIENSA-N 2 0 238.375 1.343 20 0 BDADRP CCOC1CC(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC001578087389 984844436 /nfs/dbraw/zinc/84/44/36/984844436.db2.gz JNLWCMFOFFHDOT-PQAZSJQKSA-N 2 0 238.375 1.676 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]C(C)(C)C[NH3+])[C@H]1SC ZINC001578093778 984845074 /nfs/dbraw/zinc/84/50/74/984845074.db2.gz JWPBSLFXRLPYHL-IVZWLZJFSA-N 2 0 232.393 1.222 20 0 BDADRP CCO[C@H]1COCC[C@@H]1[NH2+]CCCCCC[NH3+] ZINC001578100331 984851566 /nfs/dbraw/zinc/85/15/66/984851566.db2.gz REDHUERWPAVZLG-STQMWFEESA-N 2 0 244.379 1.289 20 0 BDADRP C[C@@H]1CC([N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C[C@@H](C)O1 ZINC001257100971 984854034 /nfs/dbraw/zinc/85/40/34/984854034.db2.gz YTWXBOQDPOSQSZ-LPWJVIDDSA-N 2 0 238.375 1.436 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+]C[C@@H](C[NH3+])C(C)C)C1 ZINC001578161854 984864284 /nfs/dbraw/zinc/86/42/84/984864284.db2.gz ZHEAATIOQCAZPE-UTUOFQBUSA-N 2 0 214.353 1.374 20 0 BDADRP CCC[C@@H](CC)[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001257266377 984865185 /nfs/dbraw/zinc/86/51/85/984865185.db2.gz OBSISJYIKDOWHM-CQSZACIVSA-N 2 0 241.423 1.744 20 0 BDADRP CC[C@H]1[NH2+]CC[C@@H]1[NH2+][C@H]1CCOC[C@H]1C ZINC001578241688 984895395 /nfs/dbraw/zinc/89/53/95/984895395.db2.gz IGKBNWVCIHCBAX-WYUUTHIRSA-N 2 0 212.337 1.142 20 0 BDADRP CCc1c[nH]c2ncnc(N[C@H]3C[C@H]([NH3+])C3)c12 ZINC001578245692 984898311 /nfs/dbraw/zinc/89/83/11/984898311.db2.gz FETDQPCFIPZJDK-KYZUINATSA-N 2 0 231.303 1.422 20 0 BDADRP CCn1cc([C@H](C)[NH2+]C2CC3(C[C@H]3[NH3+])C2)cn1 ZINC001578344388 984975348 /nfs/dbraw/zinc/97/53/48/984975348.db2.gz RNXLTTJUYKMTTE-SEQVUMHKSA-N 2 0 234.347 1.433 20 0 BDADRP CC[C@@H](C)[NH2+]C[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+] ZINC001257432992 985006081 /nfs/dbraw/zinc/00/60/81/985006081.db2.gz JISHVHWGBLEQEZ-KKOKHZNYSA-N 2 0 230.352 1.099 20 0 BDADRP C[N@H+](C[C@H]1CCC[C@H]1O)CC1(C[NH3+])CCC1 ZINC001578451307 985084585 /nfs/dbraw/zinc/08/45/85/985084585.db2.gz GPMMKSHZSQPADT-VXGBXAGGSA-N 2 0 226.364 1.208 20 0 BDADRP C[N@H+](C[C@H]1CC1(C)C)C[C@@]1(O)CCC[NH2+]C1 ZINC001578448139 985085474 /nfs/dbraw/zinc/08/54/74/985085474.db2.gz LHKIYMSHLXBTJH-DGCLKSJQSA-N 2 0 226.364 1.079 20 0 BDADRP C[N@H+](CCCC1CCOCC1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578463685 985097515 /nfs/dbraw/zinc/09/75/15/985097515.db2.gz NHEOVTXYRBDGPZ-WDNDVIMCSA-N 2 0 238.375 1.343 20 0 BDADRP CN(CCC[NH+]1CCCCC1)C[C@H]1CC[NH2+]1 ZINC001578468356 985101819 /nfs/dbraw/zinc/10/18/19/985101819.db2.gz UEYGSTAKNDPSLG-CYBMUJFWSA-N 2 0 225.380 1.156 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+]CC2CC[NH+](C)CC2)[C@H](C)O1 ZINC000686509737 985126081 /nfs/dbraw/zinc/12/60/81/985126081.db2.gz LESGAGFHZWTLGH-DYEKYZERSA-N 2 0 240.391 1.731 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@@H](NCC[NH2+]C(C)(C)C)[C@H]2C1 ZINC001578520763 985144421 /nfs/dbraw/zinc/14/44/21/985144421.db2.gz GHUVHRXMYAXNRS-RWMBFGLXSA-N 2 0 239.407 1.304 20 0 BDADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C2CC3(C[C@@H]3[NH3+])C2)C1 ZINC001578528638 985157833 /nfs/dbraw/zinc/15/78/33/985157833.db2.gz IYLVNWJXJSLCAD-AHPWVWPOSA-N 3 0 237.391 1.188 20 0 BDADRP C[N@@H+]1CC[C@@H]2CN(C[C@H]3CCCC[NH2+]C3)C[C@@H]21 ZINC001578541212 985174619 /nfs/dbraw/zinc/17/46/19/985174619.db2.gz WEZVPTVVQFOOCT-MJBXVCDLSA-N 2 0 237.391 1.012 20 0 BDADRP C[NH2+]C[C@@H](O)C[NH+]1CCC(CC(C)C)CC1 ZINC001578654512 985269267 /nfs/dbraw/zinc/26/92/67/985269267.db2.gz RJYMLUPRVRECHZ-CYBMUJFWSA-N 2 0 228.380 1.325 20 0 BDADRP C[NH2+]CC[C@@H]1CCCC[N@@H+]1C[C@@H](O)C1CC1 ZINC001578677147 985288629 /nfs/dbraw/zinc/28/86/29/985288629.db2.gz XEBWEQRIOIMSFT-QWHCGFSZSA-N 2 0 226.364 1.221 20 0 BDADRP C[NH2+]CCOCC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC001578710192 985308488 /nfs/dbraw/zinc/30/84/88/985308488.db2.gz ZOPMQHQGEWKCII-GJZGRUSLSA-N 2 0 248.370 1.616 20 0 BDADRP CNc1ccc(C)cc1C[NH+]1CCC([NH3+])CC1 ZINC001578757697 985328944 /nfs/dbraw/zinc/32/89/44/985328944.db2.gz XCDRXLAURYEURO-UHFFFAOYSA-N 2 0 233.359 1.960 20 0 BDADRP COC(=O)C1(C)C[NH+](Cc2cccc(C[NH3+])c2)C1 ZINC001578777545 985343400 /nfs/dbraw/zinc/34/34/00/985343400.db2.gz MCVRSOFXYSTYNB-UHFFFAOYSA-N 2 0 248.326 1.140 20 0 BDADRP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C[C@H](C)[NH3+] ZINC001578795638 985360336 /nfs/dbraw/zinc/36/03/36/985360336.db2.gz BBNHADSNUWXBMP-UWVGGRQHSA-N 2 0 230.352 1.291 20 0 BDADRP COC(=O)CC(C)(C)C[C@@H](C)[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC001578797237 985368796 /nfs/dbraw/zinc/36/87/96/985368796.db2.gz KSPVHMZMJDZTOE-GMTAPVOTSA-N 2 0 242.363 1.434 20 0 BDADRP C[C@@H](CSCC[NH+](C)C)C[NH+]1CCOCC1 ZINC001458994371 985370465 /nfs/dbraw/zinc/37/04/65/985370465.db2.gz KRFKSQHMMSTYMO-GFCCVEGCSA-N 2 0 246.420 1.250 20 0 BDADRP COC(=O)[C@@H](C)[N@H+](C)CCCCCCC[NH3+] ZINC001578829287 985400748 /nfs/dbraw/zinc/40/07/48/985400748.db2.gz HGWGECCYUUBVIE-LLVKDONJSA-N 2 0 230.352 1.389 20 0 BDADRP COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC001578832636 985414050 /nfs/dbraw/zinc/41/40/50/985414050.db2.gz IKPGYRAPJJYTAN-QCNOEVLYSA-N 2 0 240.347 1.045 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@H]1COC[C@@H]1C ZINC000687975834 985437317 /nfs/dbraw/zinc/43/73/17/985437317.db2.gz VUKLGINTIAJIIU-NWDGAFQWSA-N 2 0 214.353 1.343 20 0 BDADRP COC(=O)c1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])C2)cc1 ZINC001578867250 985441748 /nfs/dbraw/zinc/44/17/48/985441748.db2.gz IJBXXNIVTACSEE-TXEJJXNPSA-N 2 0 234.299 1.053 20 0 BDADRP C[C@@H]1COC[C@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000688026151 985503735 /nfs/dbraw/zinc/50/37/35/985503735.db2.gz UHCYQBWLRGKUTH-DGCLKSJQSA-N 2 0 240.391 1.874 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2COC[C@H]2C)C1 ZINC000688030320 985509307 /nfs/dbraw/zinc/50/93/07/985509307.db2.gz QXDIHBQLQROKGR-UPJWGTAASA-N 2 0 226.364 1.343 20 0 BDADRP CO[C@@H](C[NH2+]CCCC[NH3+])CC(C)C ZINC001578913560 985513539 /nfs/dbraw/zinc/51/35/39/985513539.db2.gz ZYHBZZXVQSMGHV-LLVKDONJSA-N 2 0 202.342 1.376 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CC12CC[NH2+]CC2)CC(C)C ZINC001578912964 985517094 /nfs/dbraw/zinc/51/70/94/985517094.db2.gz PIYKKGVIDHCVJQ-QWHCGFSZSA-N 2 0 240.391 1.779 20 0 BDADRP CO[C@@H](C[NH2+][C@H]1C[C@@H]([NH3+])C1)CC(C)C ZINC001578912345 985517114 /nfs/dbraw/zinc/51/71/14/985517114.db2.gz CSZXXSSZVLBCCJ-OUAUKWLOSA-N 2 0 200.326 1.127 20 0 BDADRP COC1(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)CCC1 ZINC001578926872 985527771 /nfs/dbraw/zinc/52/77/71/985527771.db2.gz PCUZEAIJQKQMGW-YPMHNXCESA-N 2 0 224.348 1.369 20 0 BDADRP COC1([C@H](C)[NH2+]C2CC3(C[C@H]3[NH3+])C2)CCC1 ZINC001578924878 985529215 /nfs/dbraw/zinc/52/92/15/985529215.db2.gz UDMXOZLPIQHBCN-UZEXVOJHSA-N 2 0 224.348 1.413 20 0 BDADRP CO[C@@H]1CC[C@H]1[N@H+](C)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578937467 985545043 /nfs/dbraw/zinc/54/50/43/985545043.db2.gz JXISMOGLYNRYKA-IRCOFANPSA-N 2 0 212.337 1.223 20 0 BDADRP C(=C/C1CC[NH2+]CC1)\c1ncnc2c1CC[NH2+]C2 ZINC001243892985 985564456 /nfs/dbraw/zinc/56/44/56/985564456.db2.gz MZSYGAMXTBOWKQ-OWOJBTEDSA-N 2 0 244.342 1.135 20 0 BDADRP COC[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]CC1 ZINC001578961292 985583771 /nfs/dbraw/zinc/58/37/71/985583771.db2.gz XHVCBFZJYSAORW-GHMZBOCLSA-N 2 0 200.326 1.001 20 0 BDADRP COC[C@H](C[NH2+]C[C@@H]([NH3+])CCC(C)(C)C)OC ZINC001578961313 985586489 /nfs/dbraw/zinc/58/64/89/985586489.db2.gz HHSHXVFBAUPLTA-RYUDHWBXSA-N 2 0 246.395 1.391 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+][C@@H](C1CC1)C1CCC1 ZINC001579002698 985653020 /nfs/dbraw/zinc/65/30/20/985653020.db2.gz SOEAOSRBXNFOPK-QWHCGFSZSA-N 2 0 226.364 1.519 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+]C[C@H](SC)C(C)(C)C ZINC001579002690 985656246 /nfs/dbraw/zinc/65/62/46/985656246.db2.gz SNFWBTULPLMVAU-QWRGUYRKSA-N 2 0 248.436 1.718 20 0 BDADRP COCc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)cc1 ZINC001579091313 985708344 /nfs/dbraw/zinc/70/83/44/985708344.db2.gz XWZKNOYZBOIVHZ-JOCQHMNTSA-N 2 0 220.316 1.412 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC001579129417 985808926 /nfs/dbraw/zinc/80/89/26/985808926.db2.gz OQBWLPDRYGKYJV-XQHKEYJVSA-N 2 0 224.348 1.286 20 0 BDADRP COc1ccc([C@H](C)[NH2+]CCOCC[NH3+])cc1 ZINC001579195329 985819746 /nfs/dbraw/zinc/81/97/46/985819746.db2.gz VVQOBJJMLLWHSY-NSHDSACASA-N 2 0 238.331 1.321 20 0 BDADRP C[S@](=O)[C@@H]1CC[C@H]([NH2+]CC2(C[NH3+])CCC2)C1 ZINC001579354431 985853178 /nfs/dbraw/zinc/85/31/78/985853178.db2.gz CUTIPKHRAKSCFM-USBNGQNGSA-N 2 0 244.404 1.005 20 0 BDADRP C[S@](=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC001579354438 985854402 /nfs/dbraw/zinc/85/44/02/985854402.db2.gz CYMZYGPCAKSDDK-GTXQXIFRSA-N 2 0 244.404 1.146 20 0 BDADRP C[S@](=O)[C@H]1CC[C@@H]([NH2+]CC2(C[NH3+])CCC2)C1 ZINC001579354427 985856018 /nfs/dbraw/zinc/85/60/18/985856018.db2.gz CUTIPKHRAKSCFM-GDLVEWKHSA-N 2 0 244.404 1.005 20 0 BDADRP CS[C@@H]1CC[C@H]1N[C@@H]1C[NH2+]C[C@H]1C ZINC001579366687 985860776 /nfs/dbraw/zinc/86/07/76/985860776.db2.gz AJDIKKQTPMJJHT-ZYUZMQFOSA-N 2 0 200.351 1.078 20 0 BDADRP CS[C@H]1CCC[C@H]([NH2+]CC[C@H](C)[NH3+])C1 ZINC001579370542 985866384 /nfs/dbraw/zinc/86/63/84/985866384.db2.gz RWPIEHFLUFBFEC-DCAQKATOSA-N 2 0 216.394 1.988 20 0 BDADRP C[C@@H](O)[C@@H](C)[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC001460691377 985876881 /nfs/dbraw/zinc/87/68/81/985876881.db2.gz KAFXSHXPLAADIA-VXGBXAGGSA-N 2 0 226.364 1.316 20 0 BDADRP C[C@@H](O)[C@H](C)[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC001460691362 985878884 /nfs/dbraw/zinc/87/88/84/985878884.db2.gz KAFXSHXPLAADIA-NWDGAFQWSA-N 2 0 226.364 1.316 20 0 BDADRP C[C@@H]1CCC[N@H+](C[C@@H]2CCCC[NH2+]C2)[C@@H]1CO ZINC001579423262 985899260 /nfs/dbraw/zinc/89/92/60/985899260.db2.gz WTDXRROEUJHOPC-MGPQQGTHSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cn(C)nc2C2CC2)C[C@H]1C[NH3+] ZINC001579441783 985936279 /nfs/dbraw/zinc/93/62/79/985936279.db2.gz SXFQUBZPMILTFD-ZYHUDNBSSA-N 2 0 248.374 1.324 20 0 BDADRP CCOC(=O)CC[C@@H](C)[NH2+]CCCC[NH+](C)C ZINC001258471861 985941065 /nfs/dbraw/zinc/94/10/65/985941065.db2.gz GGSKVVSEQWJFLT-GFCCVEGCSA-N 2 0 244.379 1.650 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC001579454735 985946150 /nfs/dbraw/zinc/94/61/50/985946150.db2.gz YPIBYDKTLPEJMB-MBNYWOFBSA-N 2 0 238.375 1.079 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC001579456013 985950220 /nfs/dbraw/zinc/95/02/20/985950220.db2.gz ZVNVXOKHAUWPOI-ZOBORPQBSA-N 2 0 237.391 1.010 20 0 BDADRP [NH3+]C[C@@H]1CCCC[N@H+](C[C@@H]2CCC=CO2)C1 ZINC001206607263 985959315 /nfs/dbraw/zinc/95/93/15/985959315.db2.gz YRUCPCFPFTYVLN-STQMWFEESA-N 2 0 224.348 1.740 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CCO1 ZINC001579470867 985971098 /nfs/dbraw/zinc/97/10/98/985971098.db2.gz KVAVJNHNBUCSTA-FDYHWXHSSA-N 2 0 224.348 1.367 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC001579480238 985996332 /nfs/dbraw/zinc/99/63/32/985996332.db2.gz WFOWKAMUCQZZTI-CYDGBPFRSA-N 2 0 238.375 1.661 20 0 BDADRP Cc1n[nH]c(C[N@H+](C)CCCCCC[NH3+])c1C ZINC001579514911 986067306 /nfs/dbraw/zinc/06/73/06/986067306.db2.gz ZBWPJORPIRNFQZ-UHFFFAOYSA-N 2 0 238.379 1.977 20 0 BDADRP CCC[NH+]1CCC([N@@H+]2CCC3(COC3)C2)CC1 ZINC001258772203 986150680 /nfs/dbraw/zinc/15/06/80/986150680.db2.gz KGHYIDQQUBOCLG-UHFFFAOYSA-N 2 0 238.375 1.583 20 0 BDADRP CCC[NH+]1CCC([N@@H+]2CCC[C@H](O)CC2)CC1 ZINC001258771729 986154329 /nfs/dbraw/zinc/15/43/29/986154329.db2.gz RCIHLGYYSPCALI-AWEZNQCLSA-N 2 0 240.391 1.708 20 0 BDADRP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@](C)(O)C[NH3+])c1 ZINC001579671963 986172949 /nfs/dbraw/zinc/17/29/49/986172949.db2.gz UNJOBWFQYXIPHX-TZMCWYRMSA-N 2 0 236.359 1.664 20 0 BDADRP Cc1cnn(C)c1CN[C@@H]1CCCC[C@H]1[NH3+] ZINC001579826026 986251478 /nfs/dbraw/zinc/25/14/78/986251478.db2.gz FVOGFZQYTSMUEO-GHMZBOCLSA-N 2 0 222.336 1.088 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CC[C@H](C)[C@@H]2CO)CC1 ZINC001462092779 986281306 /nfs/dbraw/zinc/28/13/06/986281306.db2.gz KJWPARMDGQMRNM-JSGCOSHPSA-N 2 0 240.391 1.421 20 0 BDADRP Cc1noc([C@H](C)[NH2+]C[C@H]2CC[C@@H]([NH3+])C2)n1 ZINC001579917399 986338683 /nfs/dbraw/zinc/33/86/83/986338683.db2.gz XRMHLNADDZTSQO-UJNFCWOMSA-N 2 0 224.308 1.156 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cccnc2N)C1 ZINC001462325810 986351410 /nfs/dbraw/zinc/35/14/10/986351410.db2.gz FZTZPQRFBGABCI-GFCCVEGCSA-N 2 0 248.374 1.485 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H](C)C2(CO)CC2)CC1 ZINC001462429253 986385157 /nfs/dbraw/zinc/38/51/57/986385157.db2.gz SRJJCEWXZXVEHH-LBPRGKRZSA-N 2 0 240.391 1.469 20 0 BDADRP CCC[NH+]1C[C@@H]2C[NH+](C[C@@H](O)C(C)C)C[C@H]2C1 ZINC001253767349 986391798 /nfs/dbraw/zinc/39/17/98/986391798.db2.gz KXIQMXYRQWLTPV-MGPQQGTHSA-N 2 0 240.391 1.277 20 0 BDADRP C[NH2+]Cc1cccc(-c2cc(C[NH3+])ncn2)c1F ZINC001244856999 986400642 /nfs/dbraw/zinc/40/06/42/986400642.db2.gz HIMUIPWFRSCYEZ-UHFFFAOYSA-N 2 0 246.289 1.461 20 0 BDADRP CC(C)[C@H](O)C[NH2+]CC1CC[NH+](C(C)C)CC1 ZINC001253778601 986413123 /nfs/dbraw/zinc/41/31/23/986413123.db2.gz WYYWNYWKJBHUJT-CQSZACIVSA-N 2 0 242.407 1.713 20 0 BDADRP Cc1cccc(CC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)n1 ZINC000689406962 986585490 /nfs/dbraw/zinc/58/54/90/986585490.db2.gz USFSBCWRSFRWDN-ZIAGYGMSSA-N 2 0 245.370 1.792 20 0 BDADRP C[NH+](C)CCC(C)(C)[NH2+][C@@H]1CCCOC1 ZINC001254364867 986591071 /nfs/dbraw/zinc/59/10/71/986591071.db2.gz AYPKAYUISQZCMP-LLVKDONJSA-N 2 0 214.353 1.485 20 0 BDADRP Cc1ccc(CC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)nc1 ZINC000689444514 986616263 /nfs/dbraw/zinc/61/62/63/986616263.db2.gz LCRPZVNKKFNVDR-KBPBESRZSA-N 2 0 245.370 1.792 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+]Cc1cnn3ccccc13)C2 ZINC001580163842 986635333 /nfs/dbraw/zinc/63/53/33/986635333.db2.gz DPBVGBPVRFZBDM-HRDQMINSSA-N 2 0 242.326 1.304 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+]CC[C@@H]1CCCOC1)C2 ZINC001580163858 986636459 /nfs/dbraw/zinc/63/64/59/986636459.db2.gz FAHVSQZKXUXIGQ-GMKTYKIGSA-N 2 0 224.348 1.273 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+]CC1CC[NH+](C3CC3)CC1)C2 ZINC001580165901 986643700 /nfs/dbraw/zinc/64/37/00/986643700.db2.gz NRMKFZUFBNQFDN-HNFVBEJKSA-N 3 0 249.402 1.330 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCC3(C2)OCCO3)C1 ZINC001580176696 986647192 /nfs/dbraw/zinc/64/71/92/986647192.db2.gz QMHYAMJQMSTUNR-WOPDTQHZSA-N 2 0 240.347 1.142 20 0 BDADRP CC[NH+]1CCN([C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254516246 986656217 /nfs/dbraw/zinc/65/62/17/986656217.db2.gz LEMPVIYLUSCASQ-ZDUSSCGKSA-N 2 0 225.380 1.108 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH+]2CCCC[C@@](C)(O)C2)CC1 ZINC001254517338 986657872 /nfs/dbraw/zinc/65/78/72/986657872.db2.gz URAQEEIRTRYXCQ-UONOGXRCSA-N 2 0 240.391 1.708 20 0 BDADRP [NH3+]CC1(C[N@H+](CCO)CCc2ccccc2)CC1 ZINC001580244439 986693475 /nfs/dbraw/zinc/69/34/75/986693475.db2.gz XBUGVFCEFHYQSI-UHFFFAOYSA-N 2 0 248.370 1.262 20 0 BDADRP [NH3+]C[C@]12C[N@H+](CCF)C[C@H]1CCCC2 ZINC001580256432 986709867 /nfs/dbraw/zinc/70/98/67/986709867.db2.gz UGRQYOBYWRIYDB-GHMZBOCLSA-N 2 0 200.301 1.407 20 0 BDADRP [NH3+]C[C@H]1CC[C@@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)C1 ZINC001580261389 986715567 /nfs/dbraw/zinc/71/55/67/986715567.db2.gz ZFJDCTOWNZXRNT-SQNXGDPESA-N 2 0 224.348 1.271 20 0 BDADRP [NH3+]CC[C@H](O)C[NH2+]C1(C2CCC2)CCC1 ZINC001580284684 986731322 /nfs/dbraw/zinc/73/13/22/986731322.db2.gz OFTYKIADXRYOTL-NSHDSACASA-N 2 0 212.337 1.009 20 0 BDADRP c1nc2c(n1[C@@H]1CC3CC[NH+](CC3)C1)C[NH2+]CC2 ZINC001254854034 986734210 /nfs/dbraw/zinc/73/42/10/986734210.db2.gz UZKRVDMUVQDJHI-GFCCVEGCSA-N 2 0 246.358 1.186 20 0 BDADRP [NH3+]CCOCC[N@H+](Cc1cccnc1)C1CC1 ZINC001580312365 986742859 /nfs/dbraw/zinc/74/28/59/986742859.db2.gz IYJHCDRFXGIJMD-UHFFFAOYSA-N 2 0 235.331 1.021 20 0 BDADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2C[C@@H]3COC[C@H]23)CC1 ZINC001580331453 986776226 /nfs/dbraw/zinc/77/62/26/986776226.db2.gz PEPRKLZWAIPIMN-XGFWRYKXSA-N 2 0 238.375 1.376 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2CCOC23CCCC3)C1 ZINC001580389765 986817200 /nfs/dbraw/zinc/81/72/00/986817200.db2.gz PFPQPRFNLJIBAU-XQQFMLRXSA-N 2 0 238.375 1.805 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@]23CCCO3)C1 ZINC001580421886 986838808 /nfs/dbraw/zinc/83/88/08/986838808.db2.gz UGRWVIHKFSXVCG-XQHKEYJVSA-N 2 0 224.348 1.415 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H](CO)CC2CCCC2)C1 ZINC001580421201 986838904 /nfs/dbraw/zinc/83/89/04/986838904.db2.gz DERIITFUNIZJLY-FRRDWIJNSA-N 2 0 226.364 1.255 20 0 BDADRP [NH3+][C@H]1C[C@H](C[NH2+]Cc2ncccc2F)C1 ZINC001580427746 986844952 /nfs/dbraw/zinc/84/49/52/986844952.db2.gz OVUOGNKZVYTDJO-KYZUINATSA-N 2 0 209.268 1.048 20 0 BDADRP [NH3+][C@H]1C[C@H](C[NH2+]Cc2ccc3nonc3c2)C1 ZINC001580427428 986845803 /nfs/dbraw/zinc/84/58/03/986845803.db2.gz AWXTWCKBYWSFTI-MGCOHNPYSA-N 2 0 232.287 1.050 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001580429969 986846889 /nfs/dbraw/zinc/84/68/89/986846889.db2.gz DLWRLMKLFOMRCC-JHJVBQTASA-N 2 0 236.746 1.887 20 0 BDADRP Nc1ncccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC001580472623 986867947 /nfs/dbraw/zinc/86/79/47/986867947.db2.gz QJXNFUSPNDGKPE-WCFLWFBJSA-N 2 0 246.358 1.142 20 0 BDADRP C[NH+]1CCC2(CC[N@@H+]([C@@H]3CCSC3)C2)CC1 ZINC001255289675 986889116 /nfs/dbraw/zinc/88/91/16/986889116.db2.gz AFSRDKNYAHQUSE-GFCCVEGCSA-N 2 0 240.416 1.910 20 0 BDADRP [NH3+]Cc1cnccc1-c1ccc2c(n1)CC[NH2+]C2 ZINC001245557606 986945303 /nfs/dbraw/zinc/94/53/03/986945303.db2.gz MQVNPTVOXSMQNT-UHFFFAOYSA-N 2 0 240.310 1.248 20 0 BDADRP O=C(Nc1ccc2c[nH+]cn2c1)C1CC[NH2+]CC1 ZINC001580774040 987034194 /nfs/dbraw/zinc/03/41/94/987034194.db2.gz MTZRADVOKDYLBD-UHFFFAOYSA-N 2 0 244.298 1.272 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]CC1(CO)CCC1 ZINC001255942387 987079473 /nfs/dbraw/zinc/07/94/73/987079473.db2.gz FQTXXJSOHTZUSY-CYBMUJFWSA-N 2 0 242.407 1.859 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1C[NH2+]C[C@H](O)C(C)(C)C ZINC001245985472 987268115 /nfs/dbraw/zinc/26/81/15/987268115.db2.gz UBJJWKNQMRGMQU-WOPDTQHZSA-N 2 0 228.380 1.229 20 0 BDADRP C[C@H]([NH3+])CC[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC001246001862 987285915 /nfs/dbraw/zinc/28/59/15/987285915.db2.gz PERSYHZFPDNSEC-CABZTGNLSA-N 2 0 226.295 1.186 20 0 BDADRP CC[C@H](O)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000692933223 987298860 /nfs/dbraw/zinc/29/88/60/987298860.db2.gz NARGNLAIWRPLOX-KBPBESRZSA-N 2 0 240.391 1.469 20 0 BDADRP CCCCC[C@H](O)C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001246017658 987303444 /nfs/dbraw/zinc/30/34/44/987303444.db2.gz SJFSSEROEHNETE-STQMWFEESA-N 2 0 228.380 1.741 20 0 BDADRP CCCCC[C@@H](O)C[NH+]1CCC(C[NH3+])CC1 ZINC001246017710 987303550 /nfs/dbraw/zinc/30/35/50/987303550.db2.gz SUUWYCQXEHLDFC-CYBMUJFWSA-N 2 0 228.380 1.598 20 0 BDADRP CCC[C@H](O)C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246020205 987306583 /nfs/dbraw/zinc/30/65/83/987306583.db2.gz IJJYACPZOZEWAZ-STQMWFEESA-N 2 0 228.380 1.598 20 0 BDADRP C[C@H](Cc1ccccn1)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000694054251 987321627 /nfs/dbraw/zinc/32/16/27/987321627.db2.gz FZHZPYQEOKRFGZ-KWCYVHTRSA-N 2 0 245.370 1.872 20 0 BDADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCC[C@H]1C[NH3+] ZINC001246027430 987324645 /nfs/dbraw/zinc/32/46/45/987324645.db2.gz HNTMTITULVOXRS-MNOVXSKESA-N 2 0 214.353 1.064 20 0 BDADRP C[N@H+](C[C@H]1CCCC[NH2+]C1)[C@H]1CCOC1 ZINC000697039956 987348466 /nfs/dbraw/zinc/34/84/66/987348466.db2.gz HHNDGZFBDVNTNX-RYUDHWBXSA-N 2 0 212.337 1.097 20 0 BDADRP c1nc2c(s1)C[C@@H]([NH2+]C1CC[NH2+]CC1)CC2 ZINC001246072948 987359626 /nfs/dbraw/zinc/35/96/26/987359626.db2.gz NJYNPHPTQVBKBN-JTQLQIEISA-N 2 0 237.372 1.342 20 0 BDADRP Fc1ccccc1C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246072675 987359706 /nfs/dbraw/zinc/35/97/06/987359706.db2.gz QYUJFMQZXBYDTF-GFCCVEGCSA-N 2 0 249.333 1.009 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](CNC2=[NH+]CCCCN2)C1 ZINC000697670585 987363040 /nfs/dbraw/zinc/36/30/40/987363040.db2.gz NELKGPJXAIBVHE-GFCCVEGCSA-N 2 0 238.379 1.046 20 0 BDADRP CC[C@H]1C[C@@H](NCC2([NH3+])CCCC2)CC[NH2+]1 ZINC001246075756 987364532 /nfs/dbraw/zinc/36/45/32/987364532.db2.gz MPXDXKNGAWIMQF-RYUDHWBXSA-N 2 0 225.380 1.378 20 0 BDADRP C[C@@H](Cc1ccncc1)[NH2+]CC1([NH3+])CCCC1 ZINC001246073992 987364581 /nfs/dbraw/zinc/36/45/81/987364581.db2.gz ANSHZFPKIYWABC-LBPRGKRZSA-N 2 0 233.359 1.874 20 0 BDADRP C[NH2+]CC[C@H](C)[NH2+]CCCCCCCC[NH3+] ZINC001246075116 987365421 /nfs/dbraw/zinc/36/54/21/987365421.db2.gz DDCRNGLDXXSQCW-ZDUSSCGKSA-N 3 0 229.412 1.873 20 0 BDADRP C[C@H](CC[NH2+]CC1CC[NH+](C)CC1)[NH+](C)C ZINC000697908046 987369193 /nfs/dbraw/zinc/36/91/93/987369193.db2.gz GJORFCRRTKFNGI-GFCCVEGCSA-N 2 0 227.396 1.258 20 0 BDADRP CC(C)(C)[C@H]1C[C@H](NC2CC[NH2+]CC2)CC[NH2+]1 ZINC001246077994 987369597 /nfs/dbraw/zinc/36/95/97/987369597.db2.gz LXYWGQLYSNSYLR-CHWSQXEVSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@H]([NH2+][C@H]1CCO[C@@H]1C)C1CC[NH2+]CC1 ZINC000400760120 987369732 /nfs/dbraw/zinc/36/97/32/987369732.db2.gz XXWCFBGTLKHSPY-UMNHJUIQSA-N 2 0 212.337 1.142 20 0 BDADRP CC[C@@H]1C[C@@H](N[C@H]2CC[C@H](C)[NH2+]C2)CC[NH2+]1 ZINC001246080709 987372088 /nfs/dbraw/zinc/37/20/88/987372088.db2.gz NTOZMNZDOXKJQD-RNJOBUHISA-N 2 0 225.380 1.247 20 0 BDADRP CC[C@H]1C[C@@H](N[C@H]2CC[C@H](C)[NH2+]C2)CC[NH2+]1 ZINC001246080401 987373160 /nfs/dbraw/zinc/37/31/60/987373160.db2.gz NTOZMNZDOXKJQD-CYDGBPFRSA-N 2 0 225.380 1.247 20 0 BDADRP C1C[C@@H]2C[C@@H](NC3CC[NH2+]CC3)C[C@H](C1)[NH2+]2 ZINC001246080572 987377679 /nfs/dbraw/zinc/37/76/79/987377679.db2.gz ROBXJCMKSGBVOB-CLLJXQQHSA-N 2 0 223.364 1.001 20 0 BDADRP CCSC[C@@H](C)N[C@H]1CCCC[NH2+]C1 ZINC001246093931 987381013 /nfs/dbraw/zinc/38/10/13/987381013.db2.gz YSNNAQAXTWWFTA-MNOVXSKESA-N 2 0 216.394 1.860 20 0 BDADRP Cc1cc(C)n(CC[NH2+][C@@H]2CC[NH2+][C@H](C)C2)n1 ZINC001246086226 987385378 /nfs/dbraw/zinc/38/53/78/987385378.db2.gz SNIBYIPIIDBIJY-ZWNOBZJWSA-N 2 0 236.363 1.230 20 0 BDADRP C[C@@]1(O)CC[C@@H]([NH2+]C2CC[NH2+]CC2)CC1 ZINC001246090406 987393116 /nfs/dbraw/zinc/39/31/16/987393116.db2.gz XHKSINNFZNFSGJ-UMSPYCQHSA-N 2 0 212.337 1.022 20 0 BDADRP C[C@@H]1CC([NH2+][C@@H]2CCCC[NH2+]C2)C[C@@H](C)O1 ZINC001246089954 987393540 /nfs/dbraw/zinc/39/35/40/987393540.db2.gz IEGSGNZHRIRSFQ-IJLUTSLNSA-N 2 0 226.364 1.674 20 0 BDADRP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@](C)(O)CC2)CC[NH2+]1 ZINC001246090435 987394278 /nfs/dbraw/zinc/39/42/78/987394278.db2.gz XPKSUJGPKJSMNU-CYDGBPFRSA-N 2 0 226.364 1.410 20 0 BDADRP CC[C@@H]1C[C@@H](N[C@@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC001246090907 987398855 /nfs/dbraw/zinc/39/88/55/987398855.db2.gz MRPRIELNFOVSNC-FRRDWIJNSA-N 2 0 225.380 1.249 20 0 BDADRP CCOC(=O)CC(C)(C)[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC001246090786 987399844 /nfs/dbraw/zinc/39/98/44/987399844.db2.gz ZNLXQAMEMVBISM-QWRGUYRKSA-N 2 0 242.363 1.448 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@](C)(O)CC2)CC[NH2+]1 ZINC001246094402 987405311 /nfs/dbraw/zinc/40/53/11/987405311.db2.gz XPKSUJGPKJSMNU-NDBYEHHHSA-N 2 0 226.364 1.410 20 0 BDADRP C[C@H]1C[NH2+]C[C@H](C[NH2+]C2CCSCC2)C1 ZINC001246095338 987406056 /nfs/dbraw/zinc/40/60/56/987406056.db2.gz BKFYXHVRWDDBAX-GHMZBOCLSA-N 2 0 228.405 1.717 20 0 BDADRP C[C@@H]1CC[C@@H](CN[C@H]2CC[NH2+][C@@H](C)C2)C[NH2+]1 ZINC001246096847 987408873 /nfs/dbraw/zinc/40/88/73/987408873.db2.gz NAYSBABUHDRKKL-XQHKEYJVSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1CC[C@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[NH2+]1 ZINC001246096930 987409090 /nfs/dbraw/zinc/40/90/90/987409090.db2.gz NQTLJYBKYBTLJR-ZBBUEOHVSA-N 2 0 237.391 1.247 20 0 BDADRP CC[NH+]1CCC(NC[C@@H]2C[NH2+]C[C@H](C)C2)CC1 ZINC001246096240 987409254 /nfs/dbraw/zinc/40/92/54/987409254.db2.gz DQRGUPDNTJZSMX-OLZOCXBDSA-N 2 0 239.407 1.306 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2CC[NH2+]CC[C@H]2C)CC[NH2+]1 ZINC001246096292 987409567 /nfs/dbraw/zinc/40/95/67/987409567.db2.gz UAWRAZARPZEOHE-FDYHWXHSSA-N 2 0 225.380 1.105 20 0 BDADRP CC[NH+]1CCC(NC[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246098978 987415502 /nfs/dbraw/zinc/41/55/02/987415502.db2.gz QSHYTQBWPDFXLD-STQMWFEESA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]1CC[C@H](CNC2C[C@@H]3C=C[C@H](C2)[NH2+]3)[NH2+]C1 ZINC001246102332 987422796 /nfs/dbraw/zinc/42/27/96/987422796.db2.gz DBTDOVTYNJOJFK-RQICVUQASA-N 2 0 235.375 1.023 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1N[C@@H]1CC2CC[NH+](CC2)C1 ZINC001246101344 987424389 /nfs/dbraw/zinc/42/43/89/987424389.db2.gz KIORFHXEYRZCGP-MRVWCRGKSA-N 2 0 237.391 1.058 20 0 BDADRP C[C@]1(N[C@H]2CCCC[NH2+]C2)CCC[NH2+]CC1 ZINC001246103518 987426844 /nfs/dbraw/zinc/42/68/44/987426844.db2.gz VQKMXCMPDXHHDY-STQMWFEESA-N 2 0 225.380 1.250 20 0 BDADRP CC[C@@H]1C[C@H](NC[C@H]2CC[C@H](C)[NH2+]C2)CC[NH2+]1 ZINC001246102763 987429600 /nfs/dbraw/zinc/42/96/00/987429600.db2.gz WXEXGZILWZRRST-IGQOVBAYSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCCN(C)C2)C[NH2+]1 ZINC001246102651 987430705 /nfs/dbraw/zinc/43/07/05/987430705.db2.gz WRYXERSMBMIMBC-FRRDWIJNSA-N 2 0 225.380 1.058 20 0 BDADRP CC[NH+]1CCC(NC[C@H]2CC[C@H](C)C[NH2+]2)CC1 ZINC001246105146 987433193 /nfs/dbraw/zinc/43/31/93/987433193.db2.gz MGJSYOOUULHGAY-GXTWGEPZSA-N 2 0 239.407 1.448 20 0 BDADRP COC(=O)CC[C@H](C)[NH2+]C[C@@H]1CCC[NH2+][C@@H]1C ZINC001246105445 987435171 /nfs/dbraw/zinc/43/51/71/987435171.db2.gz AZKUYEVEEQCBLT-TUAOUCFPSA-N 2 0 242.363 1.306 20 0 BDADRP C[NH2+]C1CCC([NH2+]C[C@@H]2CC[C@H](C)C[NH2+]2)CC1 ZINC001246107419 987437062 /nfs/dbraw/zinc/43/70/62/987437062.db2.gz GTJZIVFDLIOTOP-ABXWRUBCSA-N 3 0 239.407 1.495 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCC3(C[NH2+]C3)C2)[NH2+]C1 ZINC001246107334 987437342 /nfs/dbraw/zinc/43/73/42/987437342.db2.gz FWLDQVQUIJPMEV-UPJWGTAASA-N 3 0 237.391 1.106 20 0 BDADRP C[C@@H]1CC[C@@H](CN[C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)[NH2+]C1 ZINC001246110427 987442682 /nfs/dbraw/zinc/44/26/82/987442682.db2.gz IJSHOOPATNJRND-PEBLQZBPSA-N 2 0 239.407 1.493 20 0 BDADRP C[C@@H]1CC[C@H](CNC2C[C@H](C)[NH2+][C@@H](C)C2)[NH2+]C1 ZINC001246110420 987443390 /nfs/dbraw/zinc/44/33/90/987443390.db2.gz IJSHOOPATNJRND-MROQNXINSA-N 2 0 239.407 1.493 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1C[NH2+][C@@H]1CCCOCC1 ZINC001246110959 987445424 /nfs/dbraw/zinc/44/54/24/987445424.db2.gz NEGMMTPFORROJG-RWMBFGLXSA-N 2 0 226.364 1.533 20 0 BDADRP C[NH2+]C1CCC([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC001246112316 987445999 /nfs/dbraw/zinc/44/59/99/987445999.db2.gz NPPSYHOGEBJHHJ-FEPKRQSRSA-N 3 0 239.407 1.352 20 0 BDADRP CC[C@@H]1C[C@H](NC[C@H]2CCC[NH2+][C@H]2C)CC[NH2+]1 ZINC001246111412 987446406 /nfs/dbraw/zinc/44/64/06/987446406.db2.gz OAWZHWAXKCYILH-REWJHTLYSA-N 3 0 239.407 1.495 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1C[NH2+][C@@H]1CCSC1 ZINC001246110907 987446961 /nfs/dbraw/zinc/44/69/61/987446961.db2.gz JHNBABZMJOYKQL-OUAUKWLOSA-N 2 0 214.378 1.327 20 0 BDADRP CC[C@@H]1CC(N[C@@H]2CCC[NH2+]C2)C[C@@H](CC)[NH2+]1 ZINC001246113010 987448935 /nfs/dbraw/zinc/44/89/35/987448935.db2.gz WLHSWKXOTLWWCX-JHJVBQTASA-N 2 0 239.407 1.637 20 0 BDADRP C[C@@H]1CC(NC[C@@H]2CCC[NH2+][C@@H]2C)C[C@@H](C)[NH2+]1 ZINC001246113852 987449449 /nfs/dbraw/zinc/44/94/49/987449449.db2.gz ULSVEWNHRQOSJC-LPWJVIDDSA-N 2 0 239.407 1.493 20 0 BDADRP CC[C@H]1CC(NCCC[NH2+]C)C[C@H](CC)[NH2+]1 ZINC001246112735 987451391 /nfs/dbraw/zinc/45/13/91/987451391.db2.gz MQPCDQQAMWDHOQ-RYUDHWBXSA-N 2 0 227.396 1.495 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1CN[C@H]1CCC[N@H+](C)CC1 ZINC001246117236 987460005 /nfs/dbraw/zinc/46/00/05/987460005.db2.gz YIMOREFDAULWJE-RDBSUJKOSA-N 2 0 239.407 1.306 20 0 BDADRP C[C@@H]1C[C@H](N2C[C@H]([NH3+])Cc3ccccc32)CC[NH2+]1 ZINC001246116299 987460415 /nfs/dbraw/zinc/46/04/15/987460415.db2.gz YLWODFHCPQUURI-MRVWCRGKSA-N 2 0 245.370 1.517 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC001246118830 987462207 /nfs/dbraw/zinc/46/22/07/987462207.db2.gz IVNHUAVSJSCIEC-YIYPIFLZSA-N 2 0 240.391 1.779 20 0 BDADRP CC(C)[C@@H]1C[C@H](N[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246120098 987462740 /nfs/dbraw/zinc/46/27/40/987462740.db2.gz LCCHRGOYZWIYTR-AGIUHOORSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@H]1C[NH2+]C[C@H]1N[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246118081 987462830 /nfs/dbraw/zinc/46/28/30/987462830.db2.gz VJOOIJKFINVKAI-RVMXOQNASA-N 2 0 239.407 1.351 20 0 BDADRP CCCC[C@H]1C[C@@H](N[C@@H]2C[NH2+]C[C@H]2F)CC[NH2+]1 ZINC001246131159 987480509 /nfs/dbraw/zinc/48/05/09/987480509.db2.gz VTVWROHYPLUBCO-WUHRBBMRSA-N 2 0 243.370 1.197 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1CCC[NH2+]C1)C2 ZINC001246131473 987482430 /nfs/dbraw/zinc/48/24/30/987482430.db2.gz YRFSQOOUWGNXCT-FQUUOJAGSA-N 2 0 237.391 1.343 20 0 BDADRP CC[C@H]1CC(N[C@H]2CCC[NH2+]C2)C[C@H](CC)[NH2+]1 ZINC001246130836 987485214 /nfs/dbraw/zinc/48/52/14/987485214.db2.gz WLHSWKXOTLWWCX-AVGNSLFASA-N 2 0 239.407 1.637 20 0 BDADRP COC1CCC([NH2+][C@@H]2C[NH2+]CC23CC3)CC1 ZINC001246136411 987492889 /nfs/dbraw/zinc/49/28/89/987492889.db2.gz WZAWVIHZGWSKSY-HTAVTVPLSA-N 2 0 224.348 1.286 20 0 BDADRP FC1(F)CCC([NH2+][C@H]2C[NH2+]CC23CC3)CC1 ZINC001246135265 987494490 /nfs/dbraw/zinc/49/44/90/987494490.db2.gz TWKWPJQTADQVEL-JTQLQIEISA-N 2 0 230.302 1.906 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+][C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)C[C@H]1C ZINC001246140149 987497516 /nfs/dbraw/zinc/49/75/16/987497516.db2.gz ZFZFCYXPTUHIIO-BUCHIQEDSA-N 2 0 238.375 1.388 20 0 BDADRP CCC[C@@H](C)[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001246147001 987502356 /nfs/dbraw/zinc/50/23/56/987502356.db2.gz PCOOTLKPKGZZCC-OLZOCXBDSA-N 2 0 239.407 1.639 20 0 BDADRP CC[C@H](C)[C@@H](CO)[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC001246150627 987508289 /nfs/dbraw/zinc/50/82/89/987508289.db2.gz ANBSPIWTOCEYRE-FIQHERPVSA-N 2 0 214.353 1.124 20 0 BDADRP C[C@H]1CC[C@@H](Nc2ccc(CC[NH3+])cc2)C[NH2+]1 ZINC001246160298 987522072 /nfs/dbraw/zinc/52/20/72/987522072.db2.gz FRYZIKKRNPHMHA-SMDDNHRTSA-N 2 0 233.359 1.740 20 0 BDADRP CCCC[N@H+](C)CCN[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246167688 987525487 /nfs/dbraw/zinc/52/54/87/987525487.db2.gz AAGQOAZFHXYROR-OLZOCXBDSA-N 2 0 227.396 1.448 20 0 BDADRP CCCC[N@H+](CC)CCN[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246162771 987526518 /nfs/dbraw/zinc/52/65/18/987526518.db2.gz SDJOZPSNNAYUQE-UONOGXRCSA-N 2 0 241.423 1.839 20 0 BDADRP C(N[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@H]1CCCC[NH2+]1 ZINC001246167766 987532261 /nfs/dbraw/zinc/53/22/61/987532261.db2.gz FZIZPCLNCRLWTE-XJFOESAGSA-N 2 0 237.391 1.391 20 0 BDADRP C[C@H]1CC[C@H](Nc2cccc(F)c2C[NH3+])C[NH2+]1 ZINC001246175437 987544045 /nfs/dbraw/zinc/54/40/45/987544045.db2.gz ZFWQODIUROUHGA-UWVGGRQHSA-N 2 0 237.322 1.837 20 0 BDADRP CC(C)[C@H]1C[C@@H](N[C@@H]2CCCC[C@H]2[NH3+])CC[NH2+]1 ZINC001246181203 987553672 /nfs/dbraw/zinc/55/36/72/987553672.db2.gz MOKKEHHXEVMFMS-REWJHTLYSA-N 2 0 239.407 1.623 20 0 BDADRP CC(C)OCC[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC001246186761 987565743 /nfs/dbraw/zinc/56/57/43/987565743.db2.gz HLGORKUZBJKNDI-VXGBXAGGSA-N 2 0 214.353 1.532 20 0 BDADRP [NH3+]Cc1cccn1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246186616 987566631 /nfs/dbraw/zinc/56/66/31/987566631.db2.gz JGQHZKBOVQTSTN-DHHPTOIESA-N 2 0 205.305 1.402 20 0 BDADRP CC(C)[C@H]1C[C@@H](NC[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC001246187235 987566735 /nfs/dbraw/zinc/56/67/35/987566735.db2.gz MZJHRPDVJAFKDA-YNEHKIRRSA-N 2 0 225.380 1.105 20 0 BDADRP C([NH2+]C1CCC2(CC[NH2+]C2)CC1)[C@H]1CCC[NH2+]1 ZINC001246187474 987567050 /nfs/dbraw/zinc/56/70/50/987567050.db2.gz OBKZHPSWECTIFM-ROKHWSDSSA-N 3 0 237.391 1.250 20 0 BDADRP CC(C)OCC[C@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC001246186760 987569231 /nfs/dbraw/zinc/56/92/31/987569231.db2.gz HLGORKUZBJKNDI-NWDGAFQWSA-N 2 0 214.353 1.532 20 0 BDADRP CCOC(=O)C1(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246188510 987572235 /nfs/dbraw/zinc/57/22/35/987572235.db2.gz JVUWMHQPYURJSY-MNOVXSKESA-N 2 0 240.347 1.060 20 0 BDADRP CC(C)C[C@@H](C)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246191974 987580991 /nfs/dbraw/zinc/58/09/91/987580991.db2.gz COENNWPHRCJBEZ-VXGBXAGGSA-N 2 0 225.380 1.105 20 0 BDADRP [NH3+]Cc1cccc(CN[C@H]2CCCC[NH2+]C2)c1 ZINC001246194203 987585127 /nfs/dbraw/zinc/58/51/27/987585127.db2.gz GKKQAYAOCDGIPL-AWEZNQCLSA-N 2 0 233.359 1.377 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)CCO1 ZINC001246199319 987595469 /nfs/dbraw/zinc/59/54/69/987595469.db2.gz UXNHWJVTIZFEQP-SRVKXCTJSA-N 2 0 212.337 1.143 20 0 BDADRP CCOCC[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001246199644 987596837 /nfs/dbraw/zinc/59/68/37/987596837.db2.gz YEJZHMVPZCQQBP-NWDGAFQWSA-N 2 0 214.353 1.391 20 0 BDADRP C[C@H]1CC[C@@H]([NH2+]CC[C@H]2CC[C@@H]([NH3+])CC2)CN1 ZINC001246201436 987599855 /nfs/dbraw/zinc/59/98/55/987599855.db2.gz HDLNXFHUPQUUAD-IGQOVBAYSA-N 2 0 239.407 1.624 20 0 BDADRP C[C@H]1CC[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CN1 ZINC001246203460 987600362 /nfs/dbraw/zinc/60/03/62/987600362.db2.gz AVMBQERDJZMAAZ-XDQVBPFNSA-N 2 0 239.407 1.482 20 0 BDADRP C[C@@H]1C[C@@H](n2nc(C[NH3+])c3ccccc32)CC[NH2+]1 ZINC001246203519 987600791 /nfs/dbraw/zinc/60/07/91/987600791.db2.gz WSLQGDSMTGBUJK-MNOVXSKESA-N 2 0 244.342 1.808 20 0 BDADRP C[C@H]1C[C@H](n2nc(C[NH3+])c3ccccc32)CC[NH2+]1 ZINC001246203521 987600825 /nfs/dbraw/zinc/60/08/25/987600825.db2.gz WSLQGDSMTGBUJK-WDEREUQCSA-N 2 0 244.342 1.808 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CC3CC[NH+](CC3)C2)C1 ZINC001246205504 987601956 /nfs/dbraw/zinc/60/19/56/987601956.db2.gz OIMILGLZHUHYOW-MGPQQGTHSA-N 2 0 237.391 1.330 20 0 BDADRP CC(C)[C@H]1C[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246206014 987603826 /nfs/dbraw/zinc/60/38/26/987603826.db2.gz WHSSQZNXHROGPA-AAVRWANBSA-N 2 0 239.407 1.623 20 0 BDADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CCCC[NH2+]C2)CC1 ZINC001246206439 987604307 /nfs/dbraw/zinc/60/43/07/987604307.db2.gz OZVKVFZPTMEXSV-MGPQQGTHSA-N 2 0 239.407 1.483 20 0 BDADRP NC(=[NH2+])N(c1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC001246211013 987606345 /nfs/dbraw/zinc/60/63/45/987606345.db2.gz HYDXRSILEAAYJQ-NSHDSACASA-N 2 0 236.294 1.278 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CN1 ZINC001246213101 987610060 /nfs/dbraw/zinc/61/00/60/987610060.db2.gz YNEXSQLLVGUJCN-FDYHWXHSSA-N 2 0 225.380 1.234 20 0 BDADRP CCCC[C@H](CO)[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC001246212616 987610882 /nfs/dbraw/zinc/61/08/82/987610882.db2.gz VZBPKWIJDXLMLG-SDDRHHMPSA-N 2 0 214.353 1.268 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+]CC2)CC[NH2+]1 ZINC001246223262 987619351 /nfs/dbraw/zinc/61/93/51/987619351.db2.gz JPBPCFJCFKSELH-FRRDWIJNSA-N 3 0 225.380 1.106 20 0 BDADRP C[C@H]1C[C@H](N[C@H]2CCCC[C@@H]2[NH+](C)C)CC[NH2+]1 ZINC001246235135 987632651 /nfs/dbraw/zinc/63/26/51/987632651.db2.gz IYKRAHFEQCHQRH-CRWXNKLISA-N 2 0 239.407 1.589 20 0 BDADRP C[NH+](C)CCC(C)(C)NC1CC[NH2+]CC1 ZINC001246262594 987658046 /nfs/dbraw/zinc/65/80/46/987658046.db2.gz INOVWQXYYIYUPQ-UHFFFAOYSA-N 2 0 213.369 1.058 20 0 BDADRP C[C@@H]1C[C@H](NC(C)(C)CC[NH+](C)C)CC[NH2+]1 ZINC001246268812 987663363 /nfs/dbraw/zinc/66/33/63/987663363.db2.gz ZVBGIFIOZXMCIC-VXGBXAGGSA-N 2 0 227.396 1.447 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CC23CC[NH+](CC2)CC3)CN1 ZINC001246266841 987663424 /nfs/dbraw/zinc/66/34/24/987663424.db2.gz SGDTXLUBSPGNGT-CHWSQXEVSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cnccn1 ZINC001246270955 987666798 /nfs/dbraw/zinc/66/67/98/987666798.db2.gz FTGCZSWGQBRNIW-YIBTVLSRSA-N 2 0 232.331 1.410 20 0 BDADRP [NH3+]C1(CN[C@H]2CCCC[NH2+]C2)CCCCC1 ZINC001246279568 987672557 /nfs/dbraw/zinc/67/25/57/987672557.db2.gz MUDCYMKDPDUROA-LBPRGKRZSA-N 2 0 225.380 1.380 20 0 BDADRP [NH3+]C1(CN[C@@H]2CCCC[NH2+]C2)CCCCC1 ZINC001246279567 987672960 /nfs/dbraw/zinc/67/29/60/987672960.db2.gz MUDCYMKDPDUROA-GFCCVEGCSA-N 2 0 225.380 1.380 20 0 BDADRP C[C@H]1CC(NCC2([NH3+])CCCCC2)C[C@H](C)[NH2+]1 ZINC001246278105 987673505 /nfs/dbraw/zinc/67/35/05/987673505.db2.gz DFZXCPLQDGRLDA-RYUDHWBXSA-N 2 0 239.407 1.767 20 0 BDADRP CC(C)(C)[C@@H]1C[C@H](N[C@H]2CCC[C@@H]2[NH3+])CC[NH2+]1 ZINC001246278636 987673511 /nfs/dbraw/zinc/67/35/11/987673511.db2.gz KRVKLIAYYRVWOC-VOAKCMCISA-N 2 0 239.407 1.623 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C2CCCCC2)CC[NH2+]1 ZINC001246278971 987673746 /nfs/dbraw/zinc/67/37/46/987673746.db2.gz COYPDEQGTCYBIX-BNOWGMLFSA-N 2 0 240.391 1.658 20 0 BDADRP Cc1cccc(C(=[NH2+])NC2CC[NH2+]CC2)c1 ZINC001246285374 987678903 /nfs/dbraw/zinc/67/89/03/987678903.db2.gz SMGIFTDUIAEQQN-UHFFFAOYSA-N 2 0 217.316 1.662 20 0 BDADRP CC[C@@H]1C[C@@H](N[C@H](C)CC[NH3+])C[C@H](CC)[NH2+]1 ZINC001246301674 987697539 /nfs/dbraw/zinc/69/75/39/987697539.db2.gz UVSQUMQTHALNTE-FVCCEPFGSA-N 2 0 227.396 1.623 20 0 BDADRP COC(=O)[C@@H]1CCC[C@@H]([NH2+]CC[C@H](C)[NH3+])CC1 ZINC001246301741 987697837 /nfs/dbraw/zinc/69/78/37/987697837.db2.gz VNIXTYIRXVAPSY-QJPTWQEYSA-N 2 0 242.363 1.435 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]CC[C@H](C)[NH3+])CCO1 ZINC001246302702 987701942 /nfs/dbraw/zinc/70/19/42/987701942.db2.gz ADYUMBYCWZMZBG-GARJFASQSA-N 2 0 200.326 1.271 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246307347 987707799 /nfs/dbraw/zinc/70/77/99/987707799.db2.gz WXZVYGHPWRDOGC-RWMBFGLXSA-N 3 0 225.380 1.236 20 0 BDADRP CC(C)(C)[C@@H]1C[C@@H](N[C@H]2CCC[C@@H]2[NH3+])CC[NH2+]1 ZINC001246309984 987708152 /nfs/dbraw/zinc/70/81/52/987708152.db2.gz KRVKLIAYYRVWOC-CYDGBPFRSA-N 2 0 239.407 1.623 20 0 BDADRP CCCCOC(=O)CC[C@@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC001246307595 987708668 /nfs/dbraw/zinc/70/86/68/987708668.db2.gz YQJPBZQQJPLDAS-NWDGAFQWSA-N 2 0 244.379 1.825 20 0 BDADRP CC[C@@H]1C[C@H](NC[C@@H]([NH3+])CC(C)C)CC[NH2+]1 ZINC001246311665 987710959 /nfs/dbraw/zinc/71/09/59/987710959.db2.gz QQXQMZGZTRISNG-YNEHKIRRSA-N 2 0 227.396 1.480 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H](C)Cc1ccccn1 ZINC001246312729 987714481 /nfs/dbraw/zinc/71/44/81/987714481.db2.gz HIZCFZFGURWTLU-QWRGUYRKSA-N 2 0 207.321 1.340 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@H](C)CCC[NH+](CC)CC ZINC001246312130 987716497 /nfs/dbraw/zinc/71/64/97/987716497.db2.gz GCLHASVIBJDRNQ-OLZOCXBDSA-N 3 0 229.412 1.824 20 0 BDADRP CC[C@H]([NH3+])CN[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246314012 987717322 /nfs/dbraw/zinc/71/73/22/987717322.db2.gz MIPQUODUAAPLFQ-STQMWFEESA-N 2 0 239.407 1.768 20 0 BDADRP [NH3+]Cc1ccc2cn([C@H]3CCC[NH2+]C3)nc2c1 ZINC001246324338 987731433 /nfs/dbraw/zinc/73/14/33/987731433.db2.gz NCQBZICOCOQZCR-LBPRGKRZSA-N 2 0 230.315 1.420 20 0 BDADRP C[C@H]1CC[C@@H](Nc2ccc(C[NH3+])nc2)C[NH2+]1 ZINC001246328500 987736100 /nfs/dbraw/zinc/73/61/00/987736100.db2.gz YIPBYUJYJJZBNO-GXSJLCMTSA-N 2 0 220.320 1.093 20 0 BDADRP OC1CCC(CC[NH2+]C2CC[NH2+]CC2)CC1 ZINC001246332770 987738273 /nfs/dbraw/zinc/73/82/73/987738273.db2.gz HWIAOEGTDYHQMM-UHFFFAOYSA-N 2 0 226.364 1.269 20 0 BDADRP C[C@H]1C[C@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC001246331791 987739406 /nfs/dbraw/zinc/73/94/06/987739406.db2.gz JNTFFYCTQQXZDO-ODXJTPSBSA-N 2 0 237.391 1.390 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H]2C[C@@H]3COC[C@@H]32)C1 ZINC001474499098 987740034 /nfs/dbraw/zinc/74/00/34/987740034.db2.gz KADGTLSJHGEVLN-MQYQWHSLSA-N 2 0 238.375 1.341 20 0 BDADRP C1[C@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C12CCCC2 ZINC001246334709 987741462 /nfs/dbraw/zinc/74/14/62/987741462.db2.gz PIJZAPYXRVTXHI-NEPJUHHUSA-N 2 0 235.375 1.003 20 0 BDADRP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246334626 987742328 /nfs/dbraw/zinc/74/23/28/987742328.db2.gz VQCXZEAGDWMZSA-MJBXVCDLSA-N 3 0 239.407 1.482 20 0 BDADRP [NH3+][C@@]12CC[C@@]([NH2+]C3CCOCC3)(C1)CCC2 ZINC001246338217 987745844 /nfs/dbraw/zinc/74/58/44/987745844.db2.gz DEOCJDHICQHRMZ-QWHCGFSZSA-N 2 0 224.348 1.559 20 0 BDADRP FC1(F)CCN(CCN[C@@H]2CCC[NH2+]C2)CC1 ZINC001246339307 987749531 /nfs/dbraw/zinc/74/95/31/987749531.db2.gz DTUISEOBOWBVHR-LLVKDONJSA-N 2 0 247.333 1.059 20 0 BDADRP C[C@@H]1C[C@H](NCC[NH+]2CCC(F)CC2)CC[NH2+]1 ZINC001246338676 987750394 /nfs/dbraw/zinc/75/03/94/987750394.db2.gz ADKBBGGCLPABHL-DGCLKSJQSA-N 2 0 243.370 1.150 20 0 BDADRP CN1CCC[C@@H]([NH2+][C@@]23CC[C@@]([NH3+])(C2)CCC3)C1 ZINC001246341912 987751929 /nfs/dbraw/zinc/75/19/29/987751929.db2.gz QIKLMOBCVYJABM-MCIONIFRSA-N 2 0 237.391 1.474 20 0 BDADRP [NH3+][C@@]12CC[C@@](N[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)(C1)CCC2 ZINC001246342044 987752492 /nfs/dbraw/zinc/75/24/92/987752492.db2.gz QSIYZYUZBUMDTG-VYDRJRHOSA-N 2 0 249.402 1.663 20 0 BDADRP [NH3+][C@@]12CC[C@@]([NH2+][C@H]3C[C@H]4C[NH2+]C[C@H]4C3)(C1)CCC2 ZINC001246343383 987753778 /nfs/dbraw/zinc/75/37/78/987753778.db2.gz XEKTXQJKFFEQFE-AIEDFZFUSA-N 3 0 249.402 1.378 20 0 BDADRP CC(C)[C@H]1C[C@H](N[C@@H](C[NH3+])C(C)(C)C)CC[NH2+]1 ZINC001246348273 987755019 /nfs/dbraw/zinc/75/50/19/987755019.db2.gz VOLQUGQCIQNFGJ-UPJWGTAASA-N 2 0 241.423 1.726 20 0 BDADRP Oc1ccc(CNC2CC[NH2+]CC2)c(F)c1 ZINC001246352513 987760703 /nfs/dbraw/zinc/76/07/03/987760703.db2.gz PEKOAIHWTVJKRY-UHFFFAOYSA-N 2 0 224.279 1.373 20 0 BDADRP C[N@H+](CCCC[NH2+][C@@H]1C[C@@H]2COC[C@H]12)C1CC1 ZINC001474566792 987761080 /nfs/dbraw/zinc/76/10/80/987761080.db2.gz QTBRWIQLKVOCKO-KWCYVHTRSA-N 2 0 238.375 1.485 20 0 BDADRP CC(C)C[N@@H+]1CC[C@H](N[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246360215 987767154 /nfs/dbraw/zinc/76/71/54/987767154.db2.gz GKKFPHZWAWNZGQ-RDBSUJKOSA-N 2 0 239.407 1.447 20 0 BDADRP CC(C)C[N@@H+]1CC[C@H](N[C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC001246362151 987769636 /nfs/dbraw/zinc/76/96/36/987769636.db2.gz NLZFYKMUXHLQQK-MCIONIFRSA-N 2 0 239.407 1.447 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H]([NH+](C)C)CC2)CN1 ZINC001246366484 987771659 /nfs/dbraw/zinc/77/16/59/987771659.db2.gz JMBXTSXPNYXUMW-YIYPIFLZSA-N 2 0 239.407 1.589 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2CC[NH2+]CC2(C)C)CC[NH2+]1 ZINC001246372335 987775291 /nfs/dbraw/zinc/77/52/91/987775291.db2.gz LEALCWMYOKZECJ-UTUOFQBUSA-N 2 0 225.380 1.105 20 0 BDADRP CCCC[C@H](CC)[NH2+]CCNCC[NH3+] ZINC001246404386 987789019 /nfs/dbraw/zinc/78/90/19/987789019.db2.gz IZCGQIOAWATUJB-NSHDSACASA-N 2 0 201.358 1.093 20 0 BDADRP CC(C)OCC[C@@H](C)[NH2+][C@@H]1CC12C[NH2+]C2 ZINC001246444690 987803473 /nfs/dbraw/zinc/80/34/73/987803473.db2.gz KUFWNIUDQNPVFQ-GHMZBOCLSA-N 2 0 212.337 1.142 20 0 BDADRP CCC1(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)CC[NH2+]CC1 ZINC001246420158 987794591 /nfs/dbraw/zinc/79/45/91/987794591.db2.gz FQMRAZIGXGRGEM-CHWSQXEVSA-N 3 0 239.407 1.496 20 0 BDADRP CC(C)(C[NH2+]C1CC[NH2+]CC1)Cc1cccnc1 ZINC001246431541 987796806 /nfs/dbraw/zinc/79/68/06/987796806.db2.gz KPXWFIVTMVKFRE-UHFFFAOYSA-N 2 0 247.386 1.992 20 0 BDADRP CSCC[C@@H](C)[NH2+][C@H]1CC12C[NH2+]C2 ZINC001246445163 987798252 /nfs/dbraw/zinc/79/82/52/987798252.db2.gz NBODHTBSAYVCAY-BDAKNGLRSA-N 2 0 200.351 1.080 20 0 BDADRP CC[C@H](C)OCC[C@H](C)[NH2+][C@H]1CC12C[NH2+]C2 ZINC001246443919 987802529 /nfs/dbraw/zinc/80/25/29/987802529.db2.gz IKBRLTHNCTYNKV-SRVKXCTJSA-N 2 0 226.364 1.532 20 0 BDADRP CC1(C)[C@@H]2C[C@@H]([NH2+][C@H]3CC34C[NH2+]C4)C[C@@H]21 ZINC001246445509 987803901 /nfs/dbraw/zinc/80/39/01/987803901.db2.gz OTJHOJDTJHGIGB-MMWGEVLESA-N 2 0 206.333 1.373 20 0 BDADRP CC(C)OC(=O)CC[C@H](C)[NH2+][C@H]1CC12C[NH2+]C2 ZINC001246448501 987805711 /nfs/dbraw/zinc/80/57/11/987805711.db2.gz ZAOXAQCRSXODML-QWRGUYRKSA-N 2 0 240.347 1.058 20 0 BDADRP C[C@H]1CCC[C@H]([NH2+]CCCNCCC[NH3+])C1 ZINC001246454299 987808760 /nfs/dbraw/zinc/80/87/60/987808760.db2.gz RKEVRXKCCNEVTH-STQMWFEESA-N 2 0 227.396 1.483 20 0 BDADRP CCC[C@@H](CC)[NH2+]CCC[NH2+]CCCC[NH3+] ZINC001246456092 987812148 /nfs/dbraw/zinc/81/21/48/987812148.db2.gz HGUCRCXZZIJENR-CYBMUJFWSA-N 3 0 229.412 1.873 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H]([NH+](C)C)CC2)CC[NH2+]1 ZINC001246461446 987820092 /nfs/dbraw/zinc/82/00/92/987820092.db2.gz IXQHHNKHHIOLSG-SYQHCUMBSA-N 3 0 239.407 1.589 20 0 BDADRP CCC[C@@]1(CN[C@@H]2CC[C@@H](C)[NH2+]C2)CC[NH2+]1 ZINC001246462343 987820648 /nfs/dbraw/zinc/82/06/48/987820648.db2.gz PZDICFOUBLHRDR-UPJWGTAASA-N 2 0 225.380 1.249 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCN3)CC[NH2+]1 ZINC001246470971 987827778 /nfs/dbraw/zinc/82/77/78/987827778.db2.gz ARYOVPBADKYANG-FZMZJTMJSA-N 2 0 245.370 1.885 20 0 BDADRP [NH3+][C@@H]1CCCC[C@@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246475349 987831020 /nfs/dbraw/zinc/83/10/20/987831020.db2.gz FZWULDRIMNOFPF-MLGHIDQZSA-N 2 0 223.364 1.129 20 0 BDADRP [NH3+][C@@H]1CCCC[C@@H]1NC1CC[NH+](C2CC2)CC1 ZINC001246479045 987839005 /nfs/dbraw/zinc/83/90/05/987839005.db2.gz RKVNAWDVSGYRFO-KGLIPLIRSA-N 2 0 237.391 1.473 20 0 BDADRP C[NH2+]CC[C@H](C)[NH2+]CC[C@@H]1CCNCC1(F)F ZINC001246493318 987847866 /nfs/dbraw/zinc/84/78/66/987847866.db2.gz YAVIZLIYSZQXKC-QWRGUYRKSA-N 2 0 249.349 1.209 20 0 BDADRP C[C@H]1C[NH2+]C[C@@H](N[C@@H]2CC[NH2+]C(C)(C)C2)C1 ZINC001246494992 987851294 /nfs/dbraw/zinc/85/12/94/987851294.db2.gz JACRAJURJFDIST-UTUOFQBUSA-N 2 0 225.380 1.105 20 0 BDADRP CC[C@@H]1CC(N[C@H]2C[C@@H]([NH2+]C)C2)C[C@@H](CC)[NH2+]1 ZINC001246498130 987854095 /nfs/dbraw/zinc/85/40/95/987854095.db2.gz UEYJACIKKFGOKB-BYNQJWBRSA-N 2 0 239.407 1.636 20 0 BDADRP CC[C@@H]1C[C@@H](N[C@H](C[NH3+])CC(C)C)CC[NH2+]1 ZINC001246503933 987855507 /nfs/dbraw/zinc/85/55/07/987855507.db2.gz NXROMTZRKAKLNQ-AGIUHOORSA-N 2 0 227.396 1.480 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N[C@@H]2C[NH2+]C[C@H](C)C2)CC[NH2+]1 ZINC001246500669 987856579 /nfs/dbraw/zinc/85/65/79/987856579.db2.gz XXWHBXPGRZPACC-RFGFWPKPSA-N 2 0 239.407 1.351 20 0 BDADRP CCCC[C@@H]1C[C@@H](NC23CC([NH3+])(C2)C3)CC[NH2+]1 ZINC001246505276 987858568 /nfs/dbraw/zinc/85/85/68/987858568.db2.gz SGQBAQDLKLUGTN-KBHBFKLGSA-N 2 0 237.391 1.521 20 0 BDADRP CCC[C@H](C)[NH2+][C@@H](CCCC[NH3+])C(=O)NC ZINC001246510810 987862086 /nfs/dbraw/zinc/86/20/86/987862086.db2.gz ICWVITHUOJGNNQ-QWRGUYRKSA-N 2 0 229.368 1.008 20 0 BDADRP C[C@H]1CC[C@@H](N[C@H](C[NH3+])c2ccccc2)C[NH2+]1 ZINC001246508223 987862173 /nfs/dbraw/zinc/86/21/73/987862173.db2.gz RYMTZLXVVARENW-IACUBPJLSA-N 2 0 233.359 1.417 20 0 BDADRP C[NH2+]CC[C@@H](C)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001246521896 987873016 /nfs/dbraw/zinc/87/30/16/987873016.db2.gz GTAADMCWZARFEB-CYBMUJFWSA-N 3 0 239.407 1.450 20 0 BDADRP CCCC[C@@H]1C[C@H](N2CC([NH2+]C)C2)CC[NH2+]1 ZINC001246524813 987875229 /nfs/dbraw/zinc/87/52/29/987875229.db2.gz SEFWOXLXCKAERL-DGCLKSJQSA-N 2 0 225.380 1.201 20 0 BDADRP C[NH2+]CCN(C)[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246525378 987876224 /nfs/dbraw/zinc/87/62/24/987876224.db2.gz WTMVNEZROKYMHA-ZDUSSCGKSA-N 2 0 239.407 1.593 20 0 BDADRP COC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246526126 987879246 /nfs/dbraw/zinc/87/92/46/987879246.db2.gz MEXMFPNYMREQLD-QJPTWQEYSA-N 2 0 240.347 1.012 20 0 BDADRP CC(C)(C)[C@H]1C[C@@H](N2C[C@@H](F)[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246525715 987879369 /nfs/dbraw/zinc/87/93/69/987879369.db2.gz KQFJLYIMQIDVML-WHOHXGKFSA-N 2 0 243.370 1.134 20 0 BDADRP CC[C@@H]1C[C@H](N2CCC[NH2+]CC2)C[C@H](CC)[NH2+]1 ZINC001246525956 987880568 /nfs/dbraw/zinc/88/05/68/987880568.db2.gz UJJNNZLXWWIWOX-WDNDVIMCSA-N 2 0 239.407 1.591 20 0 BDADRP CC(C)(C)[NH+]1CCC(N2CC[C@](C)([NH3+])C2)CC1 ZINC001246529444 987887538 /nfs/dbraw/zinc/88/75/38/987887538.db2.gz JNGOFDJIOZKZAY-AWEZNQCLSA-N 2 0 239.407 1.672 20 0 BDADRP CC(C)(C)[C@@H]1C[C@H](N2C[C@H]([NH3+])[C@@H](F)C2)CC[NH2+]1 ZINC001246532839 987889040 /nfs/dbraw/zinc/88/90/40/987889040.db2.gz KQFJLYIMQIDVML-RHYQMDGZSA-N 2 0 243.370 1.134 20 0 BDADRP CC(C)(C)[C@H]1C[C@H](N2CC[C@](C)([NH3+])C2)CC[NH2+]1 ZINC001246531751 987889712 /nfs/dbraw/zinc/88/97/12/987889712.db2.gz TZUBOUWKYLXJIR-BZPMIXESSA-N 2 0 239.407 1.576 20 0 BDADRP CC(C)[C@H]1C[C@H](N2[C@@H](C)CC[C@H]2C[NH3+])CC[NH2+]1 ZINC001246537223 987898256 /nfs/dbraw/zinc/89/82/56/987898256.db2.gz GJXNUXPVOOYSSW-RFQIPJPRSA-N 2 0 239.407 1.575 20 0 BDADRP CCOC(=O)CC[C@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC001246538636 987898747 /nfs/dbraw/zinc/89/87/47/987898747.db2.gz OXXWDLZBSYTYQQ-NSHDSACASA-N 2 0 242.363 1.389 20 0 BDADRP CC1(C)C[C@@H]([N@@H+]2CCC[C@H]([NH3+])CC2)CO1 ZINC001246539721 987900549 /nfs/dbraw/zinc/90/05/49/987900549.db2.gz IGGGQYQFZCQIIV-WDEREUQCSA-N 2 0 212.337 1.367 20 0 BDADRP C[C@H]1CN([C@H]2CC[NH2+]C(C)(C)C2)C[C@H]1C[NH3+] ZINC001246540862 987904593 /nfs/dbraw/zinc/90/45/93/987904593.db2.gz KGXFQCIREJAMQW-TUAOUCFPSA-N 2 0 225.380 1.044 20 0 BDADRP C[C@@H]1CC(N2CCC[C@@H]([NH3+])CC2)C[C@@H](C)[NH2+]1 ZINC001246539729 987906478 /nfs/dbraw/zinc/90/64/78/987906478.db2.gz IMZQNCBNYHIVID-IJLUTSLNSA-N 2 0 225.380 1.329 20 0 BDADRP COC(=O)CCCC[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246542721 987909437 /nfs/dbraw/zinc/90/94/37/987909437.db2.gz KWQLWZYPGCYQRU-IJLUTSLNSA-N 2 0 242.363 1.530 20 0 BDADRP [NH3+][C@@H]1CCC[N@@H+]([C@@H]2CCCOCC2)CC1 ZINC001246541083 987910971 /nfs/dbraw/zinc/91/09/71/987910971.db2.gz LMYQWBAKRUCXRZ-VXGBXAGGSA-N 2 0 212.337 1.369 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCN1[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246542434 987911141 /nfs/dbraw/zinc/91/11/41/987911141.db2.gz KPWGADQRSDHJSD-XQHKEYJVSA-N 2 0 239.407 1.575 20 0 BDADRP CCOCC[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246541405 987913919 /nfs/dbraw/zinc/91/39/19/987913919.db2.gz HKSJGYJQWPFSAO-GMTAPVOTSA-N 2 0 200.326 1.223 20 0 BDADRP CC(C)OCC[C@@H](C)[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246544189 987917211 /nfs/dbraw/zinc/91/72/11/987917211.db2.gz WKBLXGRTWHHFRQ-YNEHKIRRSA-N 2 0 228.380 1.717 20 0 BDADRP [NH3+][C@@H]1CCCN([C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246544970 987917382 /nfs/dbraw/zinc/91/73/82/987917382.db2.gz IOQGGHWYFDEPNE-NDBYEHHHSA-N 2 0 223.364 1.083 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N1CCC[C@H]([NH3+])CC1 ZINC001246544909 987918030 /nfs/dbraw/zinc/91/80/30/987918030.db2.gz HXQMPZPGPJGWNT-KGLIPLIRSA-N 2 0 241.423 1.920 20 0 BDADRP C[C@@H](CC1CC1)[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246543905 987920500 /nfs/dbraw/zinc/92/05/00/987920500.db2.gz OVCXTVZXQUBORI-WCQYABFASA-N 2 0 226.364 1.351 20 0 BDADRP C[C@@H]1CC[C@H](N2CCC[C@](F)(C[NH3+])CC2)C[NH2+]1 ZINC001246546521 987928865 /nfs/dbraw/zinc/92/88/65/987928865.db2.gz GTJBCORDUCTAED-FRRDWIJNSA-N 2 0 243.370 1.280 20 0 BDADRP C[C@H]1CC[N@@H+](C2CC[NH2+]CC2)CC[C@@]1(C)O ZINC001246551185 987941202 /nfs/dbraw/zinc/94/12/02/987941202.db2.gz PPPVFLIZFUURMA-WCQYABFASA-N 2 0 226.364 1.221 20 0 BDADRP CC[C@@H]1C[C@@H](N2CCC[C@@H](C[NH2+]C)C2)CC[NH2+]1 ZINC001246550370 987944691 /nfs/dbraw/zinc/94/46/91/987944691.db2.gz MWAXXMUDNZLDNG-MJBXVCDLSA-N 3 0 239.407 1.448 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCOC[C@H](C)C2)CC[NH2+]1 ZINC001246551433 987945581 /nfs/dbraw/zinc/94/55/81/987945581.db2.gz MUZGLSWZSPBXGG-IJLUTSLNSA-N 2 0 212.337 1.095 20 0 BDADRP C[NH2+]C[C@@H]1CCCN(C2C[C@@H](C)[NH2+][C@H](C)C2)C1 ZINC001246554339 987957386 /nfs/dbraw/zinc/95/73/86/987957386.db2.gz ZSUGJWIEHREVLM-UPJWGTAASA-N 2 0 239.407 1.447 20 0 BDADRP C[C@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@@H]1O ZINC001246557616 987972459 /nfs/dbraw/zinc/97/24/59/987972459.db2.gz NDTDZJKNAJRIFM-MWWBDVBNSA-N 2 0 238.375 1.362 20 0 BDADRP C[C@@H]1CC[N@@H+]([C@@H]2CCSC2)CC[C@@H]1C[NH3+] ZINC001246557242 987972860 /nfs/dbraw/zinc/97/28/60/987972860.db2.gz KDGVICAYJWFDRK-IJLUTSLNSA-N 2 0 228.405 1.799 20 0 BDADRP C[C@@H]1CCC[C@@H]([N@@H+]2CCCC[C@@](O)(C[NH3+])C2)C1 ZINC001246558483 987974101 /nfs/dbraw/zinc/97/41/01/987974101.db2.gz LDDCKFBLTGCTOI-MGPQQGTHSA-N 2 0 240.391 1.741 20 0 BDADRP [NH3+]C[C@@H]1C[N@@H+]([C@@H]2C[C@H]3C[C@H]3C2)CCC1(F)F ZINC001246557497 987978248 /nfs/dbraw/zinc/97/82/48/987978248.db2.gz LWWWNLNSTRUFKB-LMLFDSFASA-N 2 0 230.302 1.701 20 0 BDADRP C[C@H]1C[N@@H+](C2CC[NH2+]CC2)CCC1(F)F ZINC001246561309 987992769 /nfs/dbraw/zinc/99/27/69/987992769.db2.gz GFCMMTDFGAMZNJ-VIFPVBQESA-N 2 0 218.291 1.716 20 0 BDADRP CCN1CC[C@H]([N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)C1 ZINC001246561746 987995285 /nfs/dbraw/zinc/99/52/85/987995285.db2.gz LAXDLWAUHFLTLI-MCIONIFRSA-N 2 0 239.407 1.387 20 0 BDADRP CC(C)C[C@H](C)C[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246560799 987997335 /nfs/dbraw/zinc/99/73/35/987997335.db2.gz TZLWQVWAMNNEHK-IGQOVBAYSA-N 2 0 242.407 1.841 20 0 BDADRP CC1(C)CCC([N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001246562265 988000975 /nfs/dbraw/zinc/00/09/75/988000975.db2.gz XPHFYOIQFLHIOU-VXGBXAGGSA-N 2 0 226.364 1.349 20 0 BDADRP CC[C@@H]1CC[C@H]([N@@H+]2CCCC[C@](O)(C[NH3+])C2)C1 ZINC001246562551 988001485 /nfs/dbraw/zinc/00/14/85/988001485.db2.gz UHDQNWFSLZCOSF-RDBSUJKOSA-N 2 0 240.391 1.741 20 0 BDADRP C[C@@H]1CCN([C@H]2CCC[NH2+]C2)CC[C@@H]1C[NH3+] ZINC001246563481 988005636 /nfs/dbraw/zinc/00/56/36/988005636.db2.gz XDLFYILOEWKHAN-UPJWGTAASA-N 2 0 225.380 1.045 20 0 BDADRP C[C@@H]1CC[C@H](N2CC[C@@H](C)[C@H](C[NH3+])CC2)C[NH2+]1 ZINC001246562711 988006519 /nfs/dbraw/zinc/00/65/19/988006519.db2.gz WDUHZFRSOKVWSG-MQYQWHSLSA-N 2 0 239.407 1.434 20 0 BDADRP C[C@@H]1CC[C@H]([N@@H+]2CCCC[C@@](O)(C[NH3+])C2)C1 ZINC001246563533 988007135 /nfs/dbraw/zinc/00/71/35/988007135.db2.gz VHLATRKRJMQHPQ-FRRDWIJNSA-N 2 0 226.364 1.351 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)CC[NH2+]1 ZINC001246563917 988010925 /nfs/dbraw/zinc/01/09/25/988010925.db2.gz YHIVVAFXSXOVBQ-AAVRWANBSA-N 3 0 239.407 1.434 20 0 BDADRP C[C@@H]1CC[C@H](N2CCC[C@H](C[NH3+])[C@@H](C)C2)C[NH2+]1 ZINC001246564678 988012228 /nfs/dbraw/zinc/01/22/28/988012228.db2.gz FXGNEGGAGLFIOE-DGAVXFQQSA-N 2 0 239.407 1.434 20 0 BDADRP COC[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001246564117 988013654 /nfs/dbraw/zinc/01/36/54/988013654.db2.gz YWOJZCOCPKYQSS-GRYCIOLGSA-N 2 0 214.353 1.328 20 0 BDADRP C[C@@H]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[C@@H]1[NH3+] ZINC001246564984 988014619 /nfs/dbraw/zinc/01/46/19/988014619.db2.gz ODBSGRHLHMEPGD-DGTMBMJNSA-N 2 0 237.391 1.329 20 0 BDADRP C[C@@H](Cc1ccccn1)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246563885 988016724 /nfs/dbraw/zinc/01/67/24/988016724.db2.gz VRIFTXNCSCWKJV-NTZNESFSSA-N 2 0 219.332 1.292 20 0 BDADRP CCCC[C@H]1C[C@@H](N2C[C@@H](C)[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246569582 988051963 /nfs/dbraw/zinc/05/19/63/988051963.db2.gz WNRPMTJBVQIVCK-ZOBORPQBSA-N 2 0 239.407 1.576 20 0 BDADRP CC(C)C[NH2+]C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001321967070 988062906 /nfs/dbraw/zinc/06/29/06/988062906.db2.gz WWLQPXYQIHKWIK-LBPRGKRZSA-N 2 0 243.395 1.079 20 0 BDADRP CC(C)[C@H]1C[C@H](N2CCC[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC001246573550 988068571 /nfs/dbraw/zinc/06/85/71/988068571.db2.gz SDYAVIYNVISVSI-BFHYXJOUSA-N 2 0 239.407 1.447 20 0 BDADRP C[C@H]1C[C@@H]([N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)CC[NH2+]1 ZINC001246573784 988073512 /nfs/dbraw/zinc/07/35/12/988073512.db2.gz ZDMFORNRHUWJSW-RFGFWPKPSA-N 3 0 239.407 1.434 20 0 BDADRP C[C@H]1C[C@@H](CF)[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246574192 988074011 /nfs/dbraw/zinc/07/40/11/988074011.db2.gz FFNFRGPMKCOMES-UVYIHGJDSA-N 2 0 226.339 1.949 20 0 BDADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCC[C@H]1C[NH3+] ZINC001246573044 988075198 /nfs/dbraw/zinc/07/51/98/988075198.db2.gz YSIPBAQRBGQHTL-NEPJUHHUSA-N 2 0 226.364 1.472 20 0 BDADRP CC(C)C[NH2+]CC(=O)NCC1([NH3+])CCCCC1 ZINC001118195654 988086270 /nfs/dbraw/zinc/08/62/70/988086270.db2.gz ONQLHTSORKAILI-UHFFFAOYSA-N 2 0 241.379 1.010 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N2CC[NH2+][C@H](C)C2)CC[NH2+]1 ZINC001246578564 988088505 /nfs/dbraw/zinc/08/85/05/988088505.db2.gz VUIVHSXSDLLATI-AGIUHOORSA-N 2 0 225.380 1.057 20 0 BDADRP [NH3+]C[C@@H]1CCCC[N@@H+](C2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001246581980 988116271 /nfs/dbraw/zinc/11/62/71/988116271.db2.gz LWGKEJROOBTJRU-FUDCBSFHSA-N 2 0 238.375 1.757 20 0 BDADRP CC[C@@H]1C[C@H]([N@@H+]2CC[C@H](N)[C@@H](F)CC2)CCO1 ZINC001246583493 988125132 /nfs/dbraw/zinc/12/51/32/988125132.db2.gz GYSZTULAABRBSH-NDBYEHHHSA-N 2 0 244.354 1.705 20 0 BDADRP CC[C@@H]1C[C@H]([N@@H+]2CC[C@@H](N)[C@H](F)CC2)CCO1 ZINC001246583490 988127939 /nfs/dbraw/zinc/12/79/39/988127939.db2.gz GYSZTULAABRBSH-FDYHWXHSSA-N 2 0 244.354 1.705 20 0 BDADRP N[C@@H]1CC[N@@H+]([C@@H]2CCCOCC2)CC[C@@H]1F ZINC001246586074 988139845 /nfs/dbraw/zinc/13/98/45/988139845.db2.gz LDUSSYYFUSQLTM-GRYCIOLGSA-N 2 0 230.327 1.317 20 0 BDADRP CC(C)CCC[C@@H](C)[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246586207 988144748 /nfs/dbraw/zinc/14/47/48/988144748.db2.gz ROHJQCLRVVRJRT-AGIUHOORSA-N 2 0 228.380 1.453 20 0 BDADRP C[C@@H]1CC(N2[C@H](C)C[NH2+]C[C@@H]2C)C[C@@H](C)[NH2+]1 ZINC001246586892 988148568 /nfs/dbraw/zinc/14/85/68/988148568.db2.gz PPIIMWMWUFVJCK-KKOKHZNYSA-N 2 0 225.380 1.198 20 0 BDADRP CC1(C)C[N@H+](C2CC[NH2+]CC2)[C@@](C)(CO)C1 ZINC001246588879 988157719 /nfs/dbraw/zinc/15/77/19/988157719.db2.gz LPEYIARCTWNOSR-CYBMUJFWSA-N 2 0 226.364 1.221 20 0 BDADRP CC[NH+]1CCC(N2C[C@H]([NH3+])CC(F)(F)C2)CC1 ZINC001246589042 988157814 /nfs/dbraw/zinc/15/78/14/988157814.db2.gz QXZDNFIWFVSYSO-SNVBAGLBSA-N 2 0 247.333 1.139 20 0 BDADRP CC(C)COCC[C@H](C)[NH+]1CC(C)(C[NH3+])C1 ZINC001246591598 988163533 /nfs/dbraw/zinc/16/35/33/988163533.db2.gz WIQUFXDOBSFFHD-LBPRGKRZSA-N 2 0 228.380 1.718 20 0 BDADRP C[C@@H]1CC[C@H](C[NH3+])CN1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246590046 988164669 /nfs/dbraw/zinc/16/46/69/988164669.db2.gz HWZNFPZPHMWWJA-LSGALXMHSA-N 2 0 237.391 1.329 20 0 BDADRP CC1(C)C[N@H+]([C@H]2CCC[NH2+]C2)[C@](C)(CO)C1 ZINC001246591670 988176657 /nfs/dbraw/zinc/17/66/57/988176657.db2.gz WWDLVOAPPWQKKN-AAEUAGOBSA-N 2 0 226.364 1.221 20 0 BDADRP C[NH2+]C1CCC([N@@H+]2CCCC[C@H](C[NH3+])C2)CC1 ZINC001246595251 988190731 /nfs/dbraw/zinc/19/07/31/988190731.db2.gz SJROPDBXVPVFRE-IYXRBSQSSA-N 3 0 239.407 1.578 20 0 BDADRP C[C@H](CC1CC1)[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246599753 988207546 /nfs/dbraw/zinc/20/75/46/988207546.db2.gz DJKJEIXAFZIGJR-GFCCVEGCSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@@H]1C[C@@H](N2CCC[C@@]23CCC[NH2+]C3)CC[NH2+]1 ZINC001246613372 988234688 /nfs/dbraw/zinc/23/46/88/988234688.db2.gz YUMWIAPGVGDONT-HZSPNIEDSA-N 2 0 237.391 1.345 20 0 BDADRP C1CCC2(CCN(C3CC[NH2+]CC3)CC2)[NH2+]C1 ZINC001246610201 988240186 /nfs/dbraw/zinc/24/01/86/988240186.db2.gz LPHGLIMNDYSQGY-UHFFFAOYSA-N 2 0 237.391 1.347 20 0 BDADRP CC(C)(C)[C@H]1C[C@H](N2CC3(C[NH2+]C3)C2)CC[NH2+]1 ZINC001246614506 988241959 /nfs/dbraw/zinc/24/19/59/988241959.db2.gz NDRVKYBYPSKKPD-VXGBXAGGSA-N 2 0 237.391 1.058 20 0 BDADRP CC1(C)C[C@@H]([NH+]2CCC(F)(C[NH3+])CC2)CO1 ZINC001246616970 988250182 /nfs/dbraw/zinc/25/01/82/988250182.db2.gz DAISKGLOWBJXFS-SNVBAGLBSA-N 2 0 230.327 1.317 20 0 BDADRP CCC[C@H](CC)[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246616852 988251588 /nfs/dbraw/zinc/25/15/88/988251588.db2.gz FSJCPSNNOHTYEJ-IHRRRGAJSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H]1C[C@@H](N2CC[C@]3(C2)CCCC[NH2+]3)CC[NH2+]1 ZINC001246622166 988270486 /nfs/dbraw/zinc/27/04/86/988270486.db2.gz NFCDYEOXYSLJEE-RDBSUJKOSA-N 2 0 237.391 1.345 20 0 BDADRP CCCC[C@H](CC)[N@@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246625354 988276117 /nfs/dbraw/zinc/27/61/17/988276117.db2.gz QHGGHDGPPATMKM-HZSPNIEDSA-N 2 0 240.391 1.875 20 0 BDADRP C1C[C@@]2(CN1[C@H]1CCCC[NH2+]C1)CCCC[NH2+]2 ZINC001246623369 988282973 /nfs/dbraw/zinc/28/29/73/988282973.db2.gz QDXYRZHXQZOCIV-UONOGXRCSA-N 2 0 237.391 1.347 20 0 BDADRP CCN1CCC([NH+]2CCC(F)(C[NH3+])CC2)CC1 ZINC001246629876 988305689 /nfs/dbraw/zinc/30/56/89/988305689.db2.gz QIKXNCRHUSZEEZ-UHFFFAOYSA-N 2 0 243.370 1.234 20 0 BDADRP C[C@@H]1CC([N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)C[C@@H](C)O1 ZINC001246636787 988323960 /nfs/dbraw/zinc/32/39/60/988323960.db2.gz WXRZBILFMHUNHE-VCDKRKBESA-N 2 0 224.348 1.379 20 0 BDADRP C1C[C@@H]2[C@@H](CC[N@@H+]2[C@H]2CCC3(C2)CC[NH2+]CC3)[NH2+]1 ZINC001246637217 988329134 /nfs/dbraw/zinc/32/91/34/988329134.db2.gz PNAYXLPNNQXTLN-BFHYXJOUSA-N 3 0 249.402 1.345 20 0 BDADRP CC[C@H]1C[C@H]([N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)CCO1 ZINC001246636258 988329726 /nfs/dbraw/zinc/32/97/26/988329726.db2.gz FZABYFZXUGTVPB-YVECIDJPSA-N 2 0 224.348 1.380 20 0 BDADRP C1[NH2+]CC12CCCN2[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246641624 988349497 /nfs/dbraw/zinc/34/94/97/988349497.db2.gz JLUVYAVCKOSNGL-CYBMUJFWSA-N 2 0 249.402 1.347 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)C[C@H](C)O1 ZINC001246641665 988351121 /nfs/dbraw/zinc/35/11/21/988351121.db2.gz WXRZBILFMHUNHE-NZEXEKPDSA-N 2 0 224.348 1.379 20 0 BDADRP C1CN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@]2(C1)CC[NH2+]C2 ZINC001246646514 988362359 /nfs/dbraw/zinc/36/23/59/988362359.db2.gz FRBIBSVIYVTRAY-PIGZVRMJSA-N 2 0 235.375 1.097 20 0 BDADRP C1C[C@]2(CO1)CCC[N@@H+](C1CC[NH2+]CC1)C2 ZINC001246648908 988369548 /nfs/dbraw/zinc/36/95/48/988369548.db2.gz UDJWZQYSAUOHLG-CYBMUJFWSA-N 2 0 224.348 1.241 20 0 BDADRP C1C[C@]2(C[NH2+]1)CCCCN2[C@H]1CCCC[NH2+]C1 ZINC001246651620 988377112 /nfs/dbraw/zinc/37/71/12/988377112.db2.gz WVQUPNRHGLVINX-KBPBESRZSA-N 2 0 237.391 1.347 20 0 BDADRP C1C[C@@H]2[C@@H](CC[N@@H+]2C2C[C@H]3CC[C@@H](C2)[NH2+]3)O1 ZINC001246651931 988377605 /nfs/dbraw/zinc/37/76/05/988377605.db2.gz DPDBPVPPRJCZJY-NRUFJFEESA-N 2 0 222.332 1.133 20 0 BDADRP C1C[C@@H]2CC[N@@H+]([C@@H]3CCC[NH2+]C3)C[C@@H]2C1 ZINC001246657440 988382378 /nfs/dbraw/zinc/38/23/78/988382378.db2.gz QMAHJCPQQJIMTA-FRRDWIJNSA-N 2 0 208.349 1.860 20 0 BDADRP CC[C@@H]1C[C@H]([N@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246661513 988400951 /nfs/dbraw/zinc/40/09/51/988400951.db2.gz YBSKBUWEFQOCLM-ALUZDYTJSA-N 3 0 237.391 1.185 20 0 BDADRP [NH3+][C@@]12CCC[C@@H]1CN(C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246664629 988403009 /nfs/dbraw/zinc/40/30/09/988403009.db2.gz NMTYBXNQBFHMDP-SYCZCVCYSA-N 2 0 235.375 1.083 20 0 BDADRP C1[NH2+][C@H]2CCCN([C@@H]3CCC[C@]4(CC[NH2+]C4)C3)[C@@H]12 ZINC001246666011 988404483 /nfs/dbraw/zinc/40/44/83/988404483.db2.gz VQVXTXUVKWROKO-QPSCCSFWSA-N 2 0 249.402 1.345 20 0 BDADRP [NH3+][C@@]12CCC[C@@H]1CN([C@H]1CC[NH2+]C3(CCC3)C1)C2 ZINC001246665752 988405183 /nfs/dbraw/zinc/40/51/83/988405183.db2.gz PZNKBFGRACXZMY-VNHYZAJKSA-N 2 0 249.402 1.474 20 0 BDADRP C1N([C@H]2CCC[C@@]3(CC[NH2+]C3)C2)CC12CCC[NH2+]2 ZINC001246667489 988409999 /nfs/dbraw/zinc/40/99/99/988409999.db2.gz KVPOCOCXEWYRQW-UONOGXRCSA-N 2 0 249.402 1.347 20 0 BDADRP CCCC[C@H]1C[C@H](N2CC[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC001246674028 988418563 /nfs/dbraw/zinc/41/85/63/988418563.db2.gz RYBUFEFTFHKTQV-MELADBBJSA-N 2 0 239.407 1.591 20 0 BDADRP CC(C)[C@@H]1C[C@H](N(C)[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246676106 988419942 /nfs/dbraw/zinc/41/99/42/988419942.db2.gz CHRQWTOSQVWTHU-MCIONIFRSA-N 2 0 239.407 1.447 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N(C)[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246676105 988420946 /nfs/dbraw/zinc/42/09/46/988420946.db2.gz CHRQWTOSQVWTHU-IHRRRGAJSA-N 2 0 239.407 1.447 20 0 BDADRP CC(C)(C)[C@H]1C[C@@H](N2C[C@H]3C[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC001246676543 988422984 /nfs/dbraw/zinc/42/29/84/988422984.db2.gz JDDVDTKVLOTLAI-QNWHQSFQSA-N 2 0 237.391 1.199 20 0 BDADRP C[C@H]1CC[C@H](N2CCC(C3C[NH2+]C3)CC2)C[NH2+]1 ZINC001246677871 988426288 /nfs/dbraw/zinc/42/62/88/988426288.db2.gz JHXDHVQEHHQSQT-FZMZJTMJSA-N 2 0 237.391 1.058 20 0 BDADRP C1[C@@H]2CN(C3CCC4(CC[NH2+]CC4)CC3)C[C@H]1[NH2+]2 ZINC001246679685 988426334 /nfs/dbraw/zinc/42/63/34/988426334.db2.gz ZHDXIFKIJDROBT-BETUJISGSA-N 2 0 249.402 1.345 20 0 BDADRP CN(CCC[NH3+])[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246681791 988429535 /nfs/dbraw/zinc/42/95/35/988429535.db2.gz QPPRSTXZORJQRV-HUUCEWRRSA-N 2 0 247.386 1.760 20 0 BDADRP CC(C)[C@@H]1CN([C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC001246686396 988432836 /nfs/dbraw/zinc/43/28/36/988432836.db2.gz MJCQABZFHOXMBC-CRWXNKLISA-N 2 0 239.407 1.445 20 0 BDADRP CC[C@@H]1C[C@@H](N2CC[NH2+][C@H](C(C)C)C2)CC[NH2+]1 ZINC001246684573 988433193 /nfs/dbraw/zinc/43/31/93/988433193.db2.gz HLTPCHMYYYGNBI-RDBSUJKOSA-N 2 0 239.407 1.447 20 0 BDADRP CC(C)[C@@H]1C[NH2+]CCN1[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246697960 988440356 /nfs/dbraw/zinc/44/03/56/988440356.db2.gz UAHWPXINESZLJZ-AGIUHOORSA-N 2 0 225.380 1.057 20 0 BDADRP CCN(C1CC[NH+](C)CC1)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246781072 988461557 /nfs/dbraw/zinc/46/15/57/988461557.db2.gz BFVHEONALIGDEL-TZMCWYRMSA-N 2 0 239.407 1.543 20 0 BDADRP C[NH2+]CC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246781331 988463171 /nfs/dbraw/zinc/46/31/71/988463171.db2.gz NYYVBLDMJDSOIQ-PBWFPOADSA-N 3 0 237.391 1.201 20 0 BDADRP CCN(C1CC[NH+](C)CC1)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246781067 988464794 /nfs/dbraw/zinc/46/47/94/988464794.db2.gz BFVHEONALIGDEL-OCCSQVGLSA-N 2 0 239.407 1.543 20 0 BDADRP CCCC[NH+]1CCN([C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246787481 988469040 /nfs/dbraw/zinc/46/90/40/988469040.db2.gz DSHVDRREUZQUDE-UONOGXRCSA-N 2 0 239.407 1.545 20 0 BDADRP C[C@H]1CC[C@H](N2CCC[C@H]2C[NH+](C)C)C[NH2+]1 ZINC001246795877 988473543 /nfs/dbraw/zinc/47/35/43/988473543.db2.gz ILLGBOBQWJYCKT-AVGNSLFASA-N 2 0 225.380 1.153 20 0 BDADRP CC[C@@H]1CNCC[N@@H+]1C1CCC2(C[NH2+]C2)CC1 ZINC001246804493 988485629 /nfs/dbraw/zinc/48/56/29/988485629.db2.gz PYESTYKMJSSLOE-GFCCVEGCSA-N 2 0 237.391 1.202 20 0 BDADRP CCCC[C@@H]1C[C@H](N(C)[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC001246803940 988485817 /nfs/dbraw/zinc/48/58/17/988485817.db2.gz NYBPJJFTCGWWHE-MGPQQGTHSA-N 2 0 239.407 1.591 20 0 BDADRP Cc1nc2c(s1)CN(C1CC[NH2+]CC1)CC2 ZINC001246802564 988486811 /nfs/dbraw/zinc/48/68/11/988486811.db2.gz JCKNFEBYTPXOKZ-UHFFFAOYSA-N 2 0 237.372 1.562 20 0 BDADRP CC1(C)C[C@@H](N2CC[NH2+]CC2(C)C)CC[NH2+]1 ZINC001246810439 988489079 /nfs/dbraw/zinc/48/90/79/988489079.db2.gz MYQGEYZNUSUCDN-NSHDSACASA-N 2 0 225.380 1.201 20 0 BDADRP C[C@H]1CC(N2CC[NH2+]CC2(C)C)C[C@H](C)[NH2+]1 ZINC001246811461 988489302 /nfs/dbraw/zinc/48/93/02/988489302.db2.gz VQHOKLCMLLOICZ-QWRGUYRKSA-N 2 0 225.380 1.199 20 0 BDADRP CC1(C)C[NH2+]CCN1[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246809270 988491024 /nfs/dbraw/zinc/49/10/24/988491024.db2.gz GOASRPUGHAIKHA-ITGUQSILSA-N 2 0 237.391 1.343 20 0 BDADRP CCOC(=O)[C@@H]1CC[N@@H+]([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246814994 988494302 /nfs/dbraw/zinc/49/43/02/988494302.db2.gz BIRZVLPKYKSCNS-IJLUTSLNSA-N 2 0 240.347 1.012 20 0 BDADRP CCOC(=O)CC[N@H+](C)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246815271 988497353 /nfs/dbraw/zinc/49/73/53/988497353.db2.gz XADCKPSJFLOWMR-GHMZBOCLSA-N 2 0 228.336 1.012 20 0 BDADRP CC(C)[C@H]1C[C@H](N2CC[NH2+]C(C)(C)C2)CC[NH2+]1 ZINC001246815983 988505724 /nfs/dbraw/zinc/50/57/24/988505724.db2.gz GESRIORQACIUJY-CHWSQXEVSA-N 2 0 239.407 1.447 20 0 BDADRP CC[C@@H]1C[C@H](N2C[C@@H]([NH3+])CC[C@@H]2C)CC[NH2+]1 ZINC001246820345 988511356 /nfs/dbraw/zinc/51/13/56/988511356.db2.gz IZDIDYVNVNETPU-WUHRBBMRSA-N 2 0 225.380 1.329 20 0 BDADRP CC(C)C[C@H]1CN([C@H]2CC[NH2+][C@H](C)C2)CC[NH2+]1 ZINC001246822786 988512370 /nfs/dbraw/zinc/51/23/70/988512370.db2.gz NFSFDGIAHIKLPB-RDBSUJKOSA-N 2 0 239.407 1.447 20 0 BDADRP CC(C)CC(CC(C)C)N(CC[NH3+])CC[NH3+] ZINC001246830038 988521129 /nfs/dbraw/zinc/52/11/29/988521129.db2.gz HSZFUZCVFVJPOG-UHFFFAOYSA-N 2 0 229.412 1.667 20 0 BDADRP CN(C1C[NH2+]C1)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246830531 988523475 /nfs/dbraw/zinc/52/34/75/988523475.db2.gz VNNFHMCKQIHTOW-UHFFFAOYSA-N 2 0 237.391 1.202 20 0 BDADRP CCN([C@H](C)CC[NH2+]C)[C@@H]1CCC[NH2+]C1 ZINC001246856128 988528068 /nfs/dbraw/zinc/52/80/68/988528068.db2.gz YNKCVKCVHMOQFG-VXGBXAGGSA-N 2 0 213.369 1.058 20 0 BDADRP C[C@@H]1CC[C@H](N(CC[NH3+])CC[NH3+])C[C@@H]1C ZINC001246833056 988529392 /nfs/dbraw/zinc/52/93/92/988529392.db2.gz RFFHOHTXFBTZAN-WOPDTQHZSA-N 2 0 213.369 1.031 20 0 BDADRP CCOCC1CC[NH+]([C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246844024 988559529 /nfs/dbraw/zinc/55/95/29/988559529.db2.gz FRMOVPZUIRVDIU-JSGCOSHPSA-N 2 0 240.391 1.875 20 0 BDADRP CCC(CC)[N@H+](C)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246848099 988567040 /nfs/dbraw/zinc/56/70/40/988567040.db2.gz WCLUSPDRQKDMSD-GFCCVEGCSA-N 2 0 225.380 1.201 20 0 BDADRP CC[C@@H]1C[C@H](N(CC)[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC001246853309 988569982 /nfs/dbraw/zinc/56/99/82/988569982.db2.gz UUZLJQHBJJZJMH-JHJVBQTASA-N 2 0 225.380 1.201 20 0 BDADRP CC[N@H+](CCn1cccn1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246851627 988570822 /nfs/dbraw/zinc/57/08/22/988570822.db2.gz ZANUUYPUBOAORX-CHWSQXEVSA-N 2 0 236.363 1.346 20 0 BDADRP CCN([C@@H]1CC[NH2+]C1)[C@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246853388 988574804 /nfs/dbraw/zinc/57/48/04/988574804.db2.gz VIMCNAVAYRGDFX-MJBXVCDLSA-N 2 0 239.407 1.447 20 0 BDADRP CC[C@H]1C[NH2+]CCN1[C@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246856887 988582129 /nfs/dbraw/zinc/58/21/29/988582129.db2.gz HUWKXQMFWJSDGG-IHRRRGAJSA-N 2 0 239.407 1.447 20 0 BDADRP C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)C[NH2+]1 ZINC001246859624 988591415 /nfs/dbraw/zinc/59/14/15/988591415.db2.gz MCQSAYOBCKQKOL-DGORSVRFSA-N 2 0 212.312 1.559 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N(C1CC1)C1C[NH2+]C1 ZINC001246863772 988610900 /nfs/dbraw/zinc/61/09/00/988610900.db2.gz LYXKXLGSTKVYAH-LBPRGKRZSA-N 2 0 239.407 1.543 20 0 BDADRP CC1(C)C[C@H]([N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)CCO1 ZINC001246865176 988614079 /nfs/dbraw/zinc/61/40/79/988614079.db2.gz YIEQNGPUFPSKIR-DMDPSCGWSA-N 2 0 224.348 1.367 20 0 BDADRP C[C@@H]1CC[C@@H](N2CCC3(C[NH+](C)C3)CC2)C[NH2+]1 ZINC001246873890 988636427 /nfs/dbraw/zinc/63/64/27/988636427.db2.gz HMIGKVWIUPMONL-CHWSQXEVSA-N 2 0 237.391 1.155 20 0 BDADRP C[C@H]1C[C@@H](N2CCC3(C[NH+](C)C3)CC2)CC[NH2+]1 ZINC001246875889 988641908 /nfs/dbraw/zinc/64/19/08/988641908.db2.gz PVBDBUPGPPMIIP-STQMWFEESA-N 2 0 237.391 1.155 20 0 BDADRP COC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246875348 988643691 /nfs/dbraw/zinc/64/36/91/988643691.db2.gz KLUZLRDMMBAJES-JABUTEAWSA-N 2 0 238.375 1.769 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2[C@H](C)C[NH2+]C[C@H]2C)CC[NH2+]1 ZINC001246882111 988647959 /nfs/dbraw/zinc/64/79/59/988647959.db2.gz HGMDBBVNCINAQT-SYQHCUMBSA-N 2 0 239.407 1.445 20 0 BDADRP C1C[NH2+]C[C@H]([NH+]2CC3CCC(CC3)C2)C1 ZINC001246881149 988648846 /nfs/dbraw/zinc/64/88/46/988648846.db2.gz HFIZJNVWSJSATO-WXRRBKDZSA-N 2 0 208.349 1.860 20 0 BDADRP CCN(CC[NH3+])[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246889109 988655076 /nfs/dbraw/zinc/65/50/76/988655076.db2.gz CLNIRAUXQYVHOC-CYBMUJFWSA-N 2 0 239.407 1.722 20 0 BDADRP CCN(CC[NH2+]C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246890702 988657985 /nfs/dbraw/zinc/65/79/85/988657985.db2.gz KNWQMHYKHNTXAQ-ITGUQSILSA-N 2 0 225.380 1.201 20 0 BDADRP CCCC[C@H]1CN([C@H](C)CC[NH2+]C)CC[NH2+]1 ZINC001246890647 988658802 /nfs/dbraw/zinc/65/88/02/988658802.db2.gz KMOAYYRLBJWVEY-OLZOCXBDSA-N 2 0 227.396 1.448 20 0 BDADRP CCN(CC[NH2+]C)C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246891130 988660272 /nfs/dbraw/zinc/66/02/72/988660272.db2.gz NBWAXRQZPWAIHF-QWRGUYRKSA-N 2 0 213.369 1.057 20 0 BDADRP CCCC[C@@H]1C[C@@H](N(CC)CC[NH2+]C)CC[NH2+]1 ZINC001246891703 988660573 /nfs/dbraw/zinc/66/05/73/988660573.db2.gz OGGKFCCGQZHFQF-KGLIPLIRSA-N 2 0 241.423 1.839 20 0 BDADRP Cn1ccc(C2CC[NH+](C3CC[NH2+]CC3)CC2)n1 ZINC001246895141 988663240 /nfs/dbraw/zinc/66/32/40/988663240.db2.gz PPYXBHGERAGQEZ-UHFFFAOYSA-N 2 0 248.374 1.352 20 0 BDADRP C[NH+](C)C[C@@]12C[C@@H]1CN(C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246895200 988663459 /nfs/dbraw/zinc/66/34/59/988663459.db2.gz QAFXAZNXMWGDIT-MQAAVTGUSA-N 2 0 249.402 1.153 20 0 BDADRP CCCN(C1CC[NH2+]CC1)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246895518 988669035 /nfs/dbraw/zinc/66/90/35/988669035.db2.gz CQIROSIPQCZKOE-GXTWGEPZSA-N 2 0 239.407 1.591 20 0 BDADRP CCCN(C1CC[NH2+]CC1)[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246895520 988669249 /nfs/dbraw/zinc/66/92/49/988669249.db2.gz CQIROSIPQCZKOE-JSGCOSHPSA-N 2 0 239.407 1.591 20 0 BDADRP CCCC[C@H]1C[C@H]([N@H+](C)CCO)CC[NH2+]1 ZINC001246913196 988671492 /nfs/dbraw/zinc/67/14/92/988671492.db2.gz PSHPSJGMURAOLD-NWDGAFQWSA-N 2 0 214.353 1.221 20 0 BDADRP CC(=O)[C@@H]1CC[N@@H+]([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246896223 988671590 /nfs/dbraw/zinc/67/15/90/988671590.db2.gz VWTYNNFRRCFKBC-JLLWLGSASA-N 2 0 210.321 1.038 20 0 BDADRP C[NH2+][C@@H]1CCN1[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246901434 988673613 /nfs/dbraw/zinc/67/36/13/988673613.db2.gz XPBFTAJQBMHCDR-TUAOUCFPSA-N 2 0 225.380 1.404 20 0 BDADRP C[C@@H]1CC[C@H](N(C)[C@]2(C)CCC[NH2+]C2)C[NH2+]1 ZINC001246907346 988674069 /nfs/dbraw/zinc/67/40/69/988674069.db2.gz FKCZMCCPNBGTKB-FRRDWIJNSA-N 2 0 225.380 1.201 20 0 BDADRP CC[C@@H]1C[C@@H](N2CC[C@H]2[NH2+]C)C[C@H](CC)[NH2+]1 ZINC001246899911 988674567 /nfs/dbraw/zinc/67/45/67/988674567.db2.gz QWZCISLUGVPGHQ-RNJOBUHISA-N 2 0 225.380 1.547 20 0 BDADRP CCCC[C@H]1CN([C@@H]2CC[C@@H](C)[NH2+]C2)CC[NH2+]1 ZINC001246902452 988676617 /nfs/dbraw/zinc/67/66/17/988676617.db2.gz LNAOPDRPKCMNSQ-HZSPNIEDSA-N 2 0 239.407 1.591 20 0 BDADRP C[NH2+][C@H]1CCN1C1CCC2(CCC[NH2+]C2)CC1 ZINC001246901497 988677079 /nfs/dbraw/zinc/67/70/79/988677079.db2.gz YIAXWSWUHBEDFS-ROKHWSDSSA-N 2 0 237.391 1.550 20 0 BDADRP CCC[C@H]1CN([C@@H]2CC[C@H](C)[NH2+]C2)CC[NH2+]1 ZINC001246903587 988678947 /nfs/dbraw/zinc/67/89/47/988678947.db2.gz PTGRPOUTQPXINI-RWMBFGLXSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H]1CC[C@@H](N2CC[C@@H]([N@H+](C)C3CC3)C2)C[NH2+]1 ZINC001246905865 988681447 /nfs/dbraw/zinc/68/14/47/988681447.db2.gz AKWUPPDFJQJKKN-MRVWCRGKSA-N 2 0 237.391 1.295 20 0 BDADRP C[C@@H]1C[C@H](N(C2CC2)[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246905041 988683147 /nfs/dbraw/zinc/68/31/47/988683147.db2.gz KDQSDJFHTCQQCG-MRVWCRGKSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@@H]1C[C@@H](N2CCC[C@H]([NH2+]C3CC3)C2)CC[NH2+]1 ZINC001246910313 988688370 /nfs/dbraw/zinc/68/83/70/988688370.db2.gz LYFMEJHEUKEGMS-XBFCOCLRSA-N 2 0 237.391 1.343 20 0 BDADRP C1[C@H]2C[NH2+]C[C@H]2N1[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001246915396 988708040 /nfs/dbraw/zinc/70/80/40/988708040.db2.gz FZQZFFFWLXFWSH-VHDGCEQUSA-N 2 0 249.402 1.297 20 0 BDADRP C1[C@@H]2C[NH2+]C[C@@H]2N1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246915327 988710050 /nfs/dbraw/zinc/71/00/50/988710050.db2.gz FJPRDXIJFGNVIO-JSGCOSHPSA-N 2 0 249.402 1.202 20 0 BDADRP CC(C)(C)[NH+]1CCC(N2C[C@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246918527 988715612 /nfs/dbraw/zinc/71/56/12/988715612.db2.gz KPXFEJBGFLMDFT-YPMHNXCESA-N 2 0 237.391 1.153 20 0 BDADRP CC[N@H+](CCn1ccnc1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246917487 988716300 /nfs/dbraw/zinc/71/63/00/988716300.db2.gz DFHBZHXNUOZRIU-CHWSQXEVSA-N 2 0 236.363 1.346 20 0 BDADRP C[C@H]([NH3+])CN1CC[C@@H]2CSC[C@@H]2C1 ZINC001118932738 988718059 /nfs/dbraw/zinc/71/80/59/988718059.db2.gz CHCKVXWYROSWQG-AEJSXWLSSA-N 2 0 200.351 1.019 20 0 BDADRP C[NH2+]C1CCC(N(C)[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246918569 988721183 /nfs/dbraw/zinc/72/11/83/988721183.db2.gz LBNMSCZYNGKPOA-ABXWRUBCSA-N 2 0 239.407 1.589 20 0 BDADRP C[NH2+]C1CCC([N@H+](C)[C@H]2CCCC[C@@H]2N)CC1 ZINC001246918774 988721716 /nfs/dbraw/zinc/72/17/16/988721716.db2.gz MBPFZQHBLCULHN-HOAMVYINSA-N 2 0 239.407 1.719 20 0 BDADRP CCCC[C@@H]1CN([C@@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC001246920641 988724421 /nfs/dbraw/zinc/72/44/21/988724421.db2.gz HVJQRYAFLAXYHE-ZIAGYGMSSA-N 2 0 239.407 1.593 20 0 BDADRP CC[C@@H]1C[C@H](N2C[C@@H]3C[NH2+][C@@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246934243 988759876 /nfs/dbraw/zinc/75/98/76/988759876.db2.gz SUCWOAKGXWSKET-ODXJTPSBSA-N 2 0 237.391 1.199 20 0 BDADRP CCCN([C@H]1CC[NH2+]C1)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246932559 988764555 /nfs/dbraw/zinc/76/45/55/988764555.db2.gz BISHBPVQOPKONW-XQQFMLRXSA-N 2 0 225.380 1.201 20 0 BDADRP CC[C@H]1C[C@@H](N2CCC[C@@H]2C[NH2+]C)CC[NH2+]1 ZINC001246936507 988771107 /nfs/dbraw/zinc/77/11/07/988771107.db2.gz DBJKTQOGMONRMW-RWMBFGLXSA-N 2 0 225.380 1.201 20 0 BDADRP CC[C@@H]1C[C@H](N2C[C@H](C)[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC001246943630 988776385 /nfs/dbraw/zinc/77/63/85/988776385.db2.gz MXBUCWZZUNDURY-WUHRBBMRSA-N 2 0 225.380 1.199 20 0 BDADRP CC(C)N([C@@H]1CC[NH2+]C1)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246961326 988796618 /nfs/dbraw/zinc/79/66/18/988796618.db2.gz QDZLSQORVZXDHI-JHJVBQTASA-N 2 0 225.380 1.199 20 0 BDADRP CC[C@@H]1C[C@@H](N(C(C)C)[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC001246969291 988798757 /nfs/dbraw/zinc/79/87/57/988798757.db2.gz VBIIGPWBKCAARX-RDBSUJKOSA-N 2 0 239.407 1.589 20 0 BDADRP CC[C@H](N)C[N@H+](C)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246974898 988804447 /nfs/dbraw/zinc/80/44/47/988804447.db2.gz SOIMOMXZDUTLMU-QWHCGFSZSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@H]([NH3+])CN(C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001246981906 988808129 /nfs/dbraw/zinc/80/81/29/988808129.db2.gz UHLHBOCVRARAJZ-WUHRBBMRSA-N 2 0 225.380 1.281 20 0 BDADRP CC(C)[N@@H+]1CCN([C@@H]2CC[C@@H](C)[NH2+]C2)C[C@@H]1C ZINC001246980769 988809987 /nfs/dbraw/zinc/80/99/87/988809987.db2.gz SMYFBYCJTRUOMJ-HZSPNIEDSA-N 2 0 239.407 1.541 20 0 BDADRP CC[C@@H]1C[C@@H](N(C)C[C@H](C)[NH3+])C[C@H](CC)[NH2+]1 ZINC001246979517 988812199 /nfs/dbraw/zinc/81/21/99/988812199.db2.gz BZVJDBKUTBZUQV-RVMXOQNASA-N 2 0 227.396 1.575 20 0 BDADRP C[C@@H]1CC[C@@H](N2CC[NH2+]C3=CCCC[C@H]32)C[NH2+]1 ZINC001246991803 988824918 /nfs/dbraw/zinc/82/49/18/988824918.db2.gz BZKFOJPVBXJVOT-YRGRVCCFSA-N 2 0 235.375 1.469 20 0 BDADRP CCCC[C@H]1C[C@H](N2C[C@@H]([NH3+])C[C@H]2C)CC[NH2+]1 ZINC001246999090 988830799 /nfs/dbraw/zinc/83/07/99/988830799.db2.gz QPBIIIAYQRSWTQ-ZOBORPQBSA-N 2 0 239.407 1.719 20 0 BDADRP CC[C@H]1CC(N2C[C@@H]([NH3+])C[C@H]2C)C[C@H](CC)[NH2+]1 ZINC001246997497 988831921 /nfs/dbraw/zinc/83/19/21/988831921.db2.gz NEGCNWOSJZJUEI-VOAKCMCISA-N 2 0 239.407 1.717 20 0 BDADRP CC[N@@H+]1CCN([C@H]2CC[NH2+][C@H](C)C2)C[C@H]1C ZINC001246998906 988832399 /nfs/dbraw/zinc/83/23/99/988832399.db2.gz HPIQXRZBQFQBQF-UPJWGTAASA-N 2 0 225.380 1.153 20 0 BDADRP C[NH2+]CC[C@H](C)N1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001247015218 988836021 /nfs/dbraw/zinc/83/60/21/988836021.db2.gz NKSVDEPEYAEMMP-YNEHKIRRSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H]1C[C@H](N2CCC[C@@](C)(C[NH3+])C2)CC[NH2+]1 ZINC001247007559 988837499 /nfs/dbraw/zinc/83/74/99/988837499.db2.gz ZWFMPYLOKAPODN-UPJWGTAASA-N 2 0 225.380 1.188 20 0 BDADRP C1C[C@H]2CC(N3CC[C@@H]4[NH2+]CCC[C@@H]4C3)C[C@@H]1[NH2+]2 ZINC001247016986 988843579 /nfs/dbraw/zinc/84/35/79/988843579.db2.gz ZLQNYRLSQZGNNV-YYJFMHSASA-N 2 0 249.402 1.343 20 0 BDADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1nnc[nH]1)CC2 ZINC001119259045 988868701 /nfs/dbraw/zinc/86/87/01/988868701.db2.gz IEFFSVDWKMRKMB-UHFFFAOYSA-N 2 0 249.362 1.113 20 0 BDADRP CCC[NH2+]CCNC(=O)C(C)(C)[C@H]([NH3+])C(C)C ZINC001119297199 988896242 /nfs/dbraw/zinc/89/62/42/988896242.db2.gz KCAIHBBQFBUNCM-LLVKDONJSA-N 2 0 243.395 1.112 20 0 BDADRP Cc1cc(C[NH2+]CCCC[N@@H+](C)C2CC2)[nH]n1 ZINC001324848259 989000718 /nfs/dbraw/zinc/00/07/18/989000718.db2.gz APUVVTMQTWSUNA-UHFFFAOYSA-N 2 0 236.363 1.682 20 0 BDADRP CC[NH+](CC)CC[C@H](C)NC(=O)CCC[NH2+]C ZINC001515172713 989001555 /nfs/dbraw/zinc/00/15/55/989001555.db2.gz DJYROOPQUJQRJJ-LBPRGKRZSA-N 2 0 243.395 1.223 20 0 BDADRP C[NH+]1CCC(CCNC(=[NH2+])NCC2CC2)CC1 ZINC001119379335 989019089 /nfs/dbraw/zinc/01/90/89/989019089.db2.gz XMCLXCDWCSACOW-UHFFFAOYSA-N 2 0 238.379 1.242 20 0 BDADRP C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1cc(N)ncn1 ZINC001515752752 989111743 /nfs/dbraw/zinc/11/17/43/989111743.db2.gz CFKURQRNVCKLOJ-QWRGUYRKSA-N 2 0 247.346 1.122 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C/C=C/C1CC1 ZINC001325743600 989247980 /nfs/dbraw/zinc/24/79/80/989247980.db2.gz PPSRGMKMRKJLLN-FTYDKLPRSA-N 2 0 208.349 1.930 20 0 BDADRP CC[N@@H+]1CCC[C@@H](CN[C@@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC001325744295 989248531 /nfs/dbraw/zinc/24/85/31/989248531.db2.gz UGVPDPYYQKUMKK-IHRRRGAJSA-N 2 0 239.407 1.448 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC001119630774 989267957 /nfs/dbraw/zinc/26/79/57/989267957.db2.gz JTRDNZPWRMNENS-DZGCQCFKSA-N 3 0 249.402 1.912 20 0 BDADRP CC[C@@H](CO)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC001119852920 989448681 /nfs/dbraw/zinc/44/86/81/989448681.db2.gz YSHZNXNWPYSSCS-NWDGAFQWSA-N 2 0 214.353 1.173 20 0 BDADRP CC[N@@H+]1CCC[C@H](CNc2cc[nH+]c(CO)c2)C1 ZINC001120007045 989560027 /nfs/dbraw/zinc/56/00/27/989560027.db2.gz FUXRMGQYQCPMCG-GFCCVEGCSA-N 2 0 249.358 1.718 20 0 BDADRP Cn1cncc1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326687764 989652915 /nfs/dbraw/zinc/65/29/15/989652915.db2.gz KUCHTAPLCMCQGI-UHFFFAOYSA-N 2 0 248.374 1.386 20 0 BDADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC001326688529 989653024 /nfs/dbraw/zinc/65/30/24/989653024.db2.gz SOBVYCRYRQUVEM-GRYCIOLGSA-N 2 0 241.379 1.103 20 0 BDADRP C[C@H](O)C[NH2+]Cc1ccccc1C[NH+](C)C ZINC001120466420 989660756 /nfs/dbraw/zinc/66/07/56/989660756.db2.gz BHRUJTMQGNXDJJ-NSHDSACASA-N 2 0 222.332 1.219 20 0 BDADRP C[NH2+]CCCCC(=O)N1CCCC[C@@H]1CC[NH3+] ZINC001521541335 989739690 /nfs/dbraw/zinc/73/96/90/989739690.db2.gz VZBDOMIPSAPZBP-GFCCVEGCSA-N 2 0 241.379 1.106 20 0 BDADRP C[C@@H](O)C[NH2+]C1CCC2(CC1)CC[NH+](C)CC2 ZINC001120602501 989776766 /nfs/dbraw/zinc/77/67/66/989776766.db2.gz CDAKLXAYKPIYSD-GFCCVEGCSA-N 2 0 240.391 1.611 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC001521711886 989783856 /nfs/dbraw/zinc/78/38/56/989783856.db2.gz AVLOCVXCVBRPFV-GRYCIOLGSA-N 2 0 241.379 1.007 20 0 BDADRP CN(CC[C@@H]1CCCC[N@@H+]1C)c1cc(N)ncn1 ZINC001120818824 989899167 /nfs/dbraw/zinc/89/91/67/989899167.db2.gz ZYOPUVZWZKFQCV-NSHDSACASA-N 2 0 249.362 1.369 20 0 BDADRP CC(C)(C)[C@H]([NH3+])CC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001121931940 990140237 /nfs/dbraw/zinc/14/02/37/990140237.db2.gz FHXWRZKCRYHZBN-HBNTYKKESA-N 2 0 241.379 1.136 20 0 BDADRP CC(C)(C[NH3+])CC(=O)N1CCCC[C@H]1CC[NH3+] ZINC001122018669 990186673 /nfs/dbraw/zinc/18/66/73/990186673.db2.gz SOOQHBDJSUIMFZ-NSHDSACASA-N 2 0 241.379 1.091 20 0 BDADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC001122073246 990221747 /nfs/dbraw/zinc/22/17/47/990221747.db2.gz DWHUFAHTVSWYPE-IRCOFANPSA-N 2 0 241.379 1.007 20 0 BDADRP CC(C)(C[NH3+])CC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC001122179726 990279654 /nfs/dbraw/zinc/27/96/54/990279654.db2.gz XZNRMCRRTNGAEU-NSHDSACASA-N 2 0 241.379 1.091 20 0 BDADRP [NH3+]Cc1ccccc1NC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC001122346344 990351523 /nfs/dbraw/zinc/35/15/23/990351523.db2.gz PPJPANJTVBPBEQ-RISCZKNCSA-N 2 0 245.326 1.083 20 0 BDADRP CSCC[C@H](C)NC(=[NH2+])SCC[NH3+] ZINC001258202763 991119759 /nfs/dbraw/zinc/11/97/59/991119759.db2.gz UKRBUBHUSVJMGZ-ZETCQYMHSA-N 2 0 221.395 1.344 20 0 BDADRP CC[NH+]1CCC(C[NH+]2CC(O)(C(C)C)C2)CC1 ZINC001308806966 991147736 /nfs/dbraw/zinc/14/77/36/991147736.db2.gz FPEIJRQNRJEGJW-UHFFFAOYSA-N 2 0 240.391 1.421 20 0 BDADRP CCC1(C[N@H+](C)CCC[NH+](C)C)COC1 ZINC001202912870 991208852 /nfs/dbraw/zinc/20/88/52/991208852.db2.gz XCSQQXWPZAOYQI-UHFFFAOYSA-N 2 0 214.353 1.297 20 0 BDADRP COC(=O)CC[C@H](C)[NH2+]CCCCC[NH+](C)C ZINC001258346722 991274044 /nfs/dbraw/zinc/27/40/44/991274044.db2.gz FFZOXIOAMFOYQI-LBPRGKRZSA-N 2 0 244.379 1.650 20 0 BDADRP C[N@@H+]1CC[C@@H]2CN(CC[NH+]3CCCCC3)C[C@@H]21 ZINC001559852006 991282057 /nfs/dbraw/zinc/28/20/57/991282057.db2.gz AFBTZNSJXQWGCZ-KGLIPLIRSA-N 2 0 237.391 1.108 20 0 BDADRP CCC1(C[N@H+](C)CCC[NH+]2CCCC2)COC1 ZINC001202957304 991305585 /nfs/dbraw/zinc/30/55/85/991305585.db2.gz BYHJQDZQRATXLR-UHFFFAOYSA-N 2 0 240.391 1.831 20 0 BDADRP [NH3+]Cc1ccccc1C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC001340945544 991334166 /nfs/dbraw/zinc/33/41/66/991334166.db2.gz SGXYWPLWRFVABE-ZYHUDNBSSA-N 2 0 247.342 1.003 20 0 BDADRP CCCCC[C@@H](CC)[NH2+]CCOCC[NH3+] ZINC001258429598 991359042 /nfs/dbraw/zinc/35/90/42/991359042.db2.gz ZQHSZYVMCIRLFU-GFCCVEGCSA-N 2 0 216.369 1.910 20 0 BDADRP CC[NH+](CC)CCNC(=[NH2+])N[C@@H](C)CC1CC1 ZINC001258458591 991413458 /nfs/dbraw/zinc/41/34/58/991413458.db2.gz VHRNLOKKTRAPLK-NSHDSACASA-N 2 0 240.395 1.631 20 0 BDADRP CCOC(=O)CC[C@@H](C)[NH+]1CCC(C)([NH3+])CC1 ZINC001258482114 991453189 /nfs/dbraw/zinc/45/31/89/991453189.db2.gz QGXFPXSPYOCEBG-LLVKDONJSA-N 2 0 242.363 1.531 20 0 BDADRP C[C@H](Cc1cccnc1)[NH2+]C[C@H]1CC[N@H+](C)C1 ZINC001258610520 991532938 /nfs/dbraw/zinc/53/29/38/991532938.db2.gz OZQNXABLQBMXBY-TZMCWYRMSA-N 2 0 233.359 1.554 20 0 BDADRP CO[C@H](C)C[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC001560750958 991588169 /nfs/dbraw/zinc/58/81/69/991588169.db2.gz MJGXLYIAFAYWEZ-QWHCGFSZSA-N 2 0 228.380 1.875 20 0 BDADRP CC[N@H+](CCC[NH+](C)C)C[C@@H](C)OC ZINC001560811189 991611644 /nfs/dbraw/zinc/61/16/44/991611644.db2.gz BFTXQIKMHYIVMU-LLVKDONJSA-N 2 0 202.342 1.295 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H](C)CF)CC1 ZINC001560858666 991621212 /nfs/dbraw/zinc/62/12/12/991621212.db2.gz REFFKOQOQMEHCM-JTQLQIEISA-N 2 0 202.317 1.666 20 0 BDADRP C([NH2+][C@H]1CCCOC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001561034660 991694369 /nfs/dbraw/zinc/69/43/69/991694369.db2.gz YRMPBHPNMAGMSF-OLZOCXBDSA-N 2 0 224.348 1.097 20 0 BDADRP CCC[NH+]1CCC(NC(C)(C)C(C)(C)[NH3+])CC1 ZINC001258769452 991732406 /nfs/dbraw/zinc/73/24/06/991732406.db2.gz OPZJXCZLDNWNQR-UHFFFAOYSA-N 2 0 241.423 1.966 20 0 BDADRP CCC[NH+]1CCC(Nc2cccnc2C[NH3+])CC1 ZINC001258769519 991733953 /nfs/dbraw/zinc/73/39/53/991733953.db2.gz RFKDBNHMYXKWCU-UHFFFAOYSA-N 2 0 248.374 1.827 20 0 BDADRP CCC[NH+]1CCC(N2CC[C@@H](F)C2)CC1 ZINC001258772009 991735493 /nfs/dbraw/zinc/73/54/93/991735493.db2.gz GBBFGDZICVDVRF-LLVKDONJSA-N 2 0 214.328 1.905 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[NH+]2CCC1CC2)[C@@H]1CCOC1 ZINC001474734646 991782920 /nfs/dbraw/zinc/78/29/20/991782920.db2.gz BHLJOKJMMASVDK-YUTCNCBUSA-N 2 0 238.375 1.343 20 0 BDADRP C[C@@H]1CCC[C@@H]([NH2+]CCN(C)CC[NH3+])C1 ZINC001258816135 991830614 /nfs/dbraw/zinc/83/06/14/991830614.db2.gz YDWSUFSBPVAGEZ-VXGBXAGGSA-N 2 0 213.369 1.045 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C[C@H]1CCO1 ZINC001258899018 991888801 /nfs/dbraw/zinc/88/88/01/991888801.db2.gz BBISKNYSOSTDKO-CHWSQXEVSA-N 2 0 228.380 1.875 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1(C)COC1 ZINC001258897990 991892202 /nfs/dbraw/zinc/89/22/02/991892202.db2.gz FDKDFMRWIDQWHL-GFCCVEGCSA-N 2 0 228.380 1.875 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+]CC1CC(O)C1 ZINC001258899892 991892508 /nfs/dbraw/zinc/89/25/08/991892508.db2.gz VTHZLTJLMNXWSA-HSBZDZAISA-N 2 0 242.407 1.857 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1C[C@@H](O)C1 ZINC001258900083 991894969 /nfs/dbraw/zinc/89/49/69/991894969.db2.gz ZTNQFPGUKVJUEV-RWMBFGLXSA-N 2 0 228.380 1.610 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1COC(=O)C1 ZINC001258900375 991896297 /nfs/dbraw/zinc/89/62/97/991896297.db2.gz KLJLUFGYHPEMCB-RYUDHWBXSA-N 2 0 242.363 1.402 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C1(CN)CC1 ZINC001258906497 991896432 /nfs/dbraw/zinc/89/64/32/991896432.db2.gz DEEHVWLXAHRTKP-LBPRGKRZSA-N 2 0 227.396 1.578 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C[C@@H](O)C1CC1 ZINC001258903339 991896595 /nfs/dbraw/zinc/89/65/95/991896595.db2.gz QFURFEZPXZACEN-TZMCWYRMSA-N 2 0 242.407 1.857 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@](C)(O)C1 ZINC001258910384 991899845 /nfs/dbraw/zinc/89/98/45/991899845.db2.gz QTHWLJBEOSPPCK-UONOGXRCSA-N 2 0 242.407 1.954 20 0 BDADRP CC[N@@H+]1CCC[C@@H](CN[C@H](C)[C@H]2CCC[NH2+]2)C1 ZINC001261423344 992294985 /nfs/dbraw/zinc/29/49/85/992294985.db2.gz UGVPDPYYQKUMKK-HZSPNIEDSA-N 2 0 239.407 1.448 20 0 BDADRP Cn1nccc1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001261489878 992340165 /nfs/dbraw/zinc/34/01/65/992340165.db2.gz HTIUWGNXBQPGSQ-UHFFFAOYSA-N 2 0 248.374 1.386 20 0 BDADRP CC[C@]1(C)CCC[N@H+](C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001573709397 992682498 /nfs/dbraw/zinc/68/24/98/992682498.db2.gz KLTCMYJHPHUISX-ZIAGYGMSSA-N 2 0 240.391 1.613 20 0 BDADRP C[NH2+]C[C@@H](C)CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC001262202527 992799206 /nfs/dbraw/zinc/79/92/06/992799206.db2.gz WGJNIXZZWXGMBB-NDBYEHHHSA-N 2 0 239.407 1.208 20 0 BDADRP O[C@@]1(C[N@@H+]2CCC[C@H](C3CC3)C2)CCC[NH2+]C1 ZINC001574440436 992859767 /nfs/dbraw/zinc/85/97/67/992859767.db2.gz DOXVIHBJNDIUCA-KBPBESRZSA-N 2 0 238.375 1.223 20 0 BDADRP C[C@@H]([NH3+])C[N@@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1 ZINC001262486020 992890650 /nfs/dbraw/zinc/89/06/50/992890650.db2.gz LFYOINIHVBUXEI-LBELIVKGSA-N 2 0 208.349 1.702 20 0 BDADRP C([NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)[C@@H]1CCC[NH2+]1 ZINC001574798978 992908943 /nfs/dbraw/zinc/90/89/43/992908943.db2.gz BJVKLZKIIYRXLU-QEHJDLSMSA-N 2 0 236.359 1.142 20 0 BDADRP C([NH2+][C@]12C[C@H]1COC21CCC1)[C@H]1CCC[NH2+]C1 ZINC001574799124 992910392 /nfs/dbraw/zinc/91/03/92/992910392.db2.gz CWGFGVXDFAKRTD-SGMGOOAPSA-N 2 0 236.359 1.287 20 0 BDADRP C([NH2+][C@]12C[C@H]1COC21CCC1)[C@@H]1CCC[NH2+]C1 ZINC001574799121 992911278 /nfs/dbraw/zinc/91/12/78/992911278.db2.gz CWGFGVXDFAKRTD-MBNYWOFBSA-N 2 0 236.359 1.287 20 0 BDADRP C(CN1C[C@H]2CC[NH2+]C[C@H]21)C[NH+]1CCCCC1 ZINC001574801620 992914596 /nfs/dbraw/zinc/91/45/96/992914596.db2.gz TYPNVTLVCTWXFU-ZIAGYGMSSA-N 2 0 237.391 1.156 20 0 BDADRP C[C@H](O)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001262570185 992924326 /nfs/dbraw/zinc/92/43/26/992924326.db2.gz PMJFKNBAHYMOIJ-OBJOEFQTSA-N 2 0 240.391 1.467 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])C[NH2+]CCOCCF ZINC001575130293 992992253 /nfs/dbraw/zinc/99/22/53/992992253.db2.gz JBUNBOGASVKCSE-NSHDSACASA-N 2 0 234.359 1.716 20 0 BDADRP CC(C)(C)[C@@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC001575125437 992993354 /nfs/dbraw/zinc/99/33/54/992993354.db2.gz RJQMOBIYGPGMCY-XQQFMLRXSA-N 2 0 240.391 1.861 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])C[NH2+][C@@H]1CCCOC1 ZINC001575130312 992993766 /nfs/dbraw/zinc/99/37/66/992993766.db2.gz JVXZPWIIZKFURM-NWDGAFQWSA-N 2 0 228.380 1.909 20 0 BDADRP CC(C)(C[NH3+])CNC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC001575314855 993010216 /nfs/dbraw/zinc/01/02/16/993010216.db2.gz AGWRBIBVNQOGIA-NSHDSACASA-N 2 0 227.396 1.434 20 0 BDADRP COC1CC[NH+](CCNc2cc[nH+]cc2)CC1 ZINC001262671492 993012706 /nfs/dbraw/zinc/01/27/06/993012706.db2.gz GMTWWMSXYGSMQA-UHFFFAOYSA-N 2 0 235.331 1.026 20 0 BDADRP CC(C)([NH2+]C[C@H]1CCC[NH2+]C1)[C@H]1CCCCO1 ZINC001575378079 993023729 /nfs/dbraw/zinc/02/37/29/993023729.db2.gz IWMHVUYNGDOOPS-QWHCGFSZSA-N 2 0 240.391 1.923 20 0 BDADRP CC(C)[C@](C)(C[NH3+])NC[C@H]1CCC[N@@H+]1C ZINC001575409343 993036453 /nfs/dbraw/zinc/03/64/53/993036453.db2.gz BIKNAOXDFNKFCM-NEPJUHHUSA-N 2 0 213.369 1.044 20 0 BDADRP CC(C)[C@H](C[NH3+])CNC[C@@H]1C[NH+]2CCC1CC2 ZINC001575421757 993040515 /nfs/dbraw/zinc/04/05/15/993040515.db2.gz CNXISJXQUOFPAE-ZIAGYGMSSA-N 2 0 239.407 1.149 20 0 BDADRP CC(C)[C@H]([NH3+])CNCc1c[nH+]ccc1N(C)C ZINC001575459771 993048840 /nfs/dbraw/zinc/04/88/40/993048840.db2.gz BMLQRQBAEMQHKY-GFCCVEGCSA-N 2 0 236.363 1.221 20 0 BDADRP CC(C)[C@H](O)CC[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC001575473726 993053506 /nfs/dbraw/zinc/05/35/06/993053506.db2.gz WUDIEBYEYRBLPF-MCIONIFRSA-N 2 0 240.391 1.325 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](N(C)CC23CC(C2)C[NH2+]3)C1 ZINC001575697290 993094200 /nfs/dbraw/zinc/09/42/00/993094200.db2.gz UJFWSBIIECZNBT-MOKVOYLWSA-N 2 0 237.391 1.153 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](C)NC[C@H]([NH3+])CC(F)F ZINC001575689698 993096113 /nfs/dbraw/zinc/09/61/13/993096113.db2.gz VQCDOMVYBKCLML-NXEZZACHSA-N 2 0 237.338 1.287 20 0 BDADRP CC(C)N(C)C[C@@H](C)[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001575689566 993096427 /nfs/dbraw/zinc/09/64/27/993096427.db2.gz RLJPEBRGQHUCPZ-CQLXCSJHSA-N 2 0 225.380 1.185 20 0 BDADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@H](C)CC[NH+](C)C ZINC001575951949 993135804 /nfs/dbraw/zinc/13/58/04/993135804.db2.gz AISZGYGAFSIINT-YPMHNXCESA-N 2 0 243.395 1.064 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CCCc1cnn(C)c1 ZINC001575951866 993136327 /nfs/dbraw/zinc/13/63/27/993136327.db2.gz LBQNSVPBHJRRNB-NSHDSACASA-N 2 0 224.352 1.070 20 0 BDADRP C[C@@H](CC[NH3+])[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC001575962903 993142730 /nfs/dbraw/zinc/14/27/30/993142730.db2.gz ZKOBNWLYPRTJIX-YFKTTZPYSA-N 2 0 224.348 1.271 20 0 BDADRP C[C@H](CCO)[NH2+]CC[C@@H]([NH3+])Cc1ccccc1 ZINC001575967390 993143372 /nfs/dbraw/zinc/14/33/72/993143372.db2.gz MXGFJQFHBRDZKE-TZMCWYRMSA-N 2 0 236.359 1.307 20 0 BDADRP C[C@H](CC[NH3+])[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC001575962902 993143687 /nfs/dbraw/zinc/14/36/87/993143687.db2.gz ZKOBNWLYPRTJIX-RHYQMDGZSA-N 2 0 224.348 1.271 20 0 BDADRP CC(C)C[C@@H]([NH3+])CC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001263167954 993145585 /nfs/dbraw/zinc/14/55/85/993145585.db2.gz ZJCXSZJWXXYHBF-UTUOFQBUSA-N 2 0 241.379 1.007 20 0 BDADRP C[C@H](CNCC12CC(C1)C[NH2+]2)[NH+]1CCCCC1 ZINC001576032254 993158476 /nfs/dbraw/zinc/15/84/76/993158476.db2.gz AJUXOXOXFGHOIA-IYXRBSQSSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@H](CO)[N@H+](CC1CCC1)C[C@@H]1C[NH2+]C[C@H]1C ZINC001576038508 993162607 /nfs/dbraw/zinc/16/26/07/993162607.db2.gz VZYYYFQNBWYSOS-BZPMIXESSA-N 2 0 240.391 1.325 20 0 BDADRP C[C@@H](CNC[C@@H]([NH3+])CC(F)(F)F)C[NH+](C)C ZINC001576032490 993163362 /nfs/dbraw/zinc/16/33/62/993163362.db2.gz FLLNQCXLVHCDFT-IUCAKERBSA-N 2 0 241.301 1.053 20 0 BDADRP C[C@@H]([NH3+])CN1CC[N@H+](C2CCCC2)[C@@H](C)C1 ZINC001576157155 993197038 /nfs/dbraw/zinc/19/70/38/993197038.db2.gz OFJAZHXMSIDRAY-NEPJUHHUSA-N 2 0 225.380 1.282 20 0 BDADRP [NH3+]Cc1ccccc1NC(=O)CC1CC([NH3+])C1 ZINC001263266238 993197544 /nfs/dbraw/zinc/19/75/44/993197544.db2.gz IRMGSQKDSQAUDR-UHFFFAOYSA-N 2 0 233.315 1.211 20 0 BDADRP C[C@H]([NH3+])C[NH2+]C1(CO)CCCCCCC1 ZINC001576159488 993198539 /nfs/dbraw/zinc/19/85/39/993198539.db2.gz QCPZINFDHIXDBZ-NSHDSACASA-N 2 0 214.353 1.399 20 0 BDADRP CO[C@@H]1CCC[C@@H]([N@@H+]2CCC[C@H]([NH3+])CC2)C1 ZINC000378665154 993198948 /nfs/dbraw/zinc/19/89/48/993198948.db2.gz FPNRRQKTWLYURO-YNEHKIRRSA-N 2 0 226.364 1.757 20 0 BDADRP [NH3+]Cc1ccccc1NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001263266350 993199034 /nfs/dbraw/zinc/19/90/34/993199034.db2.gz MDAJVBIEOCHMDL-ZYHUDNBSSA-N 2 0 247.342 1.601 20 0 BDADRP Cc1cc(NC2C[NH+](C(C)C)C2)cc(C)[nH+]1 ZINC000379110391 993219672 /nfs/dbraw/zinc/21/96/72/993219672.db2.gz UJANAAKKUCGTJN-UHFFFAOYSA-N 2 0 219.332 1.625 20 0 BDADRP C[C@@H]([NH2+][C@H]1COC2(C[NH2+]C2)C1)[C@@H]1C[C@H]1C1CC1 ZINC001576238801 993225840 /nfs/dbraw/zinc/22/58/40/993225840.db2.gz JALIXFHRKDWICI-XEZLXBQYSA-N 2 0 236.359 1.142 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[NH2+]CC1)[C@H]1CCCCO1 ZINC001576243454 993230266 /nfs/dbraw/zinc/23/02/66/993230266.db2.gz CJWVAZZCGHQFFF-MELADBBJSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H]([NH2+][C@]12CCC[C@H]1[NH2+]CC2)[C@@H]1CCOC1 ZINC001576251594 993235051 /nfs/dbraw/zinc/23/50/51/993235051.db2.gz MJAXBSVLEMINRZ-LOWDOPEQSA-N 2 0 224.348 1.286 20 0 BDADRP C[C@H](O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC001576267579 993242180 /nfs/dbraw/zinc/24/21/80/993242180.db2.gz WYPUQDHSRUPYDN-RVMXOQNASA-N 2 0 226.364 1.077 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC001576384790 993284728 /nfs/dbraw/zinc/28/47/28/993284728.db2.gz WVJCHQYNSDOWFN-BBBLOLIVSA-N 2 0 247.333 1.041 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+][C@H]1CCN(CC(F)F)C1 ZINC001576385056 993290530 /nfs/dbraw/zinc/29/05/30/993290530.db2.gz WVJCHQYNSDOWFN-IVZWLZJFSA-N 2 0 247.333 1.041 20 0 BDADRP CC1(C)C[C@@H]([NH2+]C2CC3(C[C@H]3[NH3+])C2)CCO1 ZINC001576393869 993296781 /nfs/dbraw/zinc/29/67/81/993296781.db2.gz MVFMEDMYAHEVMU-MSLYCWSTSA-N 2 0 224.348 1.413 20 0 BDADRP CC1(C)CO[C@@H](CC[NH2+]C2CC3(C[C@H]3[NH3+])C2)C1 ZINC001576484221 993318762 /nfs/dbraw/zinc/31/87/62/993318762.db2.gz PJZPUYSCCGNTFW-MRFPXMQZSA-N 2 0 238.375 1.661 20 0 BDADRP CC1(C)SC[C@H]1[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001576494971 993321277 /nfs/dbraw/zinc/32/12/77/993321277.db2.gz JTDKOGMNADCEQI-VCZAYRLQSA-N 2 0 212.362 1.350 20 0 BDADRP CC1(C)SC[C@H]1[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001576494968 993321475 /nfs/dbraw/zinc/32/14/75/993321475.db2.gz JTDKOGMNADCEQI-UVCIYIGYSA-N 2 0 212.362 1.350 20 0 BDADRP C[C@@]1(CN2CC3(C2)CC[NH2+]C3)CCCCO1 ZINC001576503360 993324986 /nfs/dbraw/zinc/32/49/86/993324986.db2.gz QFLZAWYNAIGYQV-LBPRGKRZSA-N 2 0 224.348 1.241 20 0 BDADRP C[C@]1(CN2CCC[C@@H]([NH3+])C2)CCCCO1 ZINC001576503651 993326467 /nfs/dbraw/zinc/32/64/67/993326467.db2.gz UNDLASACFVSSAU-VXGBXAGGSA-N 2 0 212.337 1.369 20 0 BDADRP CC(C)(C)[NH+]1CCC(NC2(C)C[NH2+]C2)CC1 ZINC001576545064 993336951 /nfs/dbraw/zinc/33/69/51/993336951.db2.gz DGAOTPUWOOFDGW-UHFFFAOYSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@]1([NH2+]CCC[NH2+]C2CC2)CCO[C@@H]1C1CC1 ZINC001576545531 993339512 /nfs/dbraw/zinc/33/95/12/993339512.db2.gz NNDSSCFCROUGJL-KGLIPLIRSA-N 2 0 238.375 1.676 20 0 BDADRP C[C@H]1[C@@H](N(C)C)CC[N@@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576573608 993350207 /nfs/dbraw/zinc/35/02/07/993350207.db2.gz SNPPSLKXUNOBGT-RVMXOQNASA-N 2 0 225.380 1.138 20 0 BDADRP C[C@H]1C[C@H](C[N@H+](C)CC2CC[NH2+]CC2)CCO1 ZINC001576597091 993361731 /nfs/dbraw/zinc/36/17/31/993361731.db2.gz DIOLORHEFLMEAE-GXTWGEPZSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cc[nH]c(=O)c1 ZINC001576608286 993366717 /nfs/dbraw/zinc/36/67/17/993366717.db2.gz PPCULUFFIOUDBN-MWLCHTKSSA-N 2 0 221.304 1.099 20 0 BDADRP C[C@@H]1CC[C@H](C)[C@@H]([NH2+][C@@H]2COC3(C[NH2+]C3)C2)C1 ZINC001576648099 993381333 /nfs/dbraw/zinc/38/13/33/993381333.db2.gz WPQTXICYSYGVLX-VOAKCMCISA-N 2 0 238.375 1.532 20 0 BDADRP C[C@H]1CCC[C@]1(O)C[NH2+]CC1(C[NH3+])CCC1 ZINC001576681101 993394236 /nfs/dbraw/zinc/39/42/36/993394236.db2.gz ZXHYBVSMLYLRLT-AAEUAGOBSA-N 2 0 226.364 1.256 20 0 BDADRP C[C@H]1CCC[C@H]1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC001576681777 993394330 /nfs/dbraw/zinc/39/43/30/993394330.db2.gz NGEVARSRVMXKIU-QCXCNERSSA-N 2 0 208.349 1.764 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C[C@@H]1O ZINC001576729683 993409510 /nfs/dbraw/zinc/40/95/10/993409510.db2.gz VZVYCZBQXICMQA-AGIUHOORSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC001576731938 993409630 /nfs/dbraw/zinc/40/96/30/993409630.db2.gz PQKBGCBNAZNZOI-XGFWRYKXSA-N 2 0 240.391 1.323 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@]2(C)CCC[NH2+]C2)C[C@@H]1O ZINC001576729684 993409797 /nfs/dbraw/zinc/40/97/97/993409797.db2.gz VZVYCZBQXICMQA-FRRDWIJNSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@H]1C[N@H+](CC(=O)OC(C)(C)C)CC[C@@H]1C[NH3+] ZINC001576800833 993427735 /nfs/dbraw/zinc/42/77/35/993427735.db2.gz MXLBUXVZYMAFCQ-WDEREUQCSA-N 2 0 242.363 1.245 20 0 BDADRP C[C@@H]1C[N@H+](CC(=O)OC(C)(C)C)CC[C@H]1C[NH3+] ZINC001576800831 993428810 /nfs/dbraw/zinc/42/88/10/993428810.db2.gz MXLBUXVZYMAFCQ-MNOVXSKESA-N 2 0 242.363 1.245 20 0 BDADRP C[C@H]1OCC[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)[C@@H]1C ZINC001576903139 993451597 /nfs/dbraw/zinc/45/15/97/993451597.db2.gz GWLLUBLTZDSTMF-WISYIIOYSA-N 2 0 212.337 1.223 20 0 BDADRP C[C@@H]1CC[C@H](N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)C[NH2+]1 ZINC000382412694 993458602 /nfs/dbraw/zinc/45/86/02/993458602.db2.gz JBRFXEKOPLWZMZ-MQYQWHSLSA-N 2 0 237.391 1.010 20 0 BDADRP CC[C@](C)(C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)OC ZINC001576949877 993465140 /nfs/dbraw/zinc/46/51/40/993465140.db2.gz TYDFGKYDAUQOOJ-ZIAGYGMSSA-N 2 0 240.391 1.877 20 0 BDADRP CC[C@@](C)(O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001576959318 993468415 /nfs/dbraw/zinc/46/84/15/993468415.db2.gz FFHIQPYUUVOWPX-OLZOCXBDSA-N 2 0 226.364 1.223 20 0 BDADRP CC[C@@H](C)[C@@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)OC ZINC001576961014 993471081 /nfs/dbraw/zinc/47/10/81/993471081.db2.gz KLHTZZWSPFYAET-FVCCEPFGSA-N 2 0 226.364 1.199 20 0 BDADRP CC[C@H](C)CNc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001576991576 993482423 /nfs/dbraw/zinc/48/24/23/993482423.db2.gz GQJCQAOVWNGCDZ-LBPRGKRZSA-N 2 0 248.374 1.949 20 0 BDADRP CCC(CC)(C[NH3+])C[NH2+][C@H]1C[C@H](C(=O)OC)C1 ZINC001577052441 993490011 /nfs/dbraw/zinc/49/00/11/993490011.db2.gz WIQSPNKRGBJVGZ-XYPYZODXSA-N 2 0 242.363 1.293 20 0 BDADRP CCC(CC)(C[NH3+])C[NH2+][C@H](CO)CCF ZINC001577052030 993491410 /nfs/dbraw/zinc/49/14/10/993491410.db2.gz GWUPAANKTBAZBC-JTQLQIEISA-N 2 0 220.332 1.062 20 0 BDADRP CCC(CC)(C[NH3+])C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC001577051218 993491458 /nfs/dbraw/zinc/49/14/58/993491458.db2.gz MAWCUDQWHVPOGK-LLVKDONJSA-N 2 0 226.364 1.208 20 0 BDADRP CCC(CC)(C[NH3+])[NH2+]C[C@H](OC)[C@H]1CCOC1 ZINC001577059561 993491789 /nfs/dbraw/zinc/49/17/89/993491789.db2.gz QBNVRHFBQWVTKC-RYUDHWBXSA-N 2 0 244.379 1.145 20 0 BDADRP CC[C@@H](COC)[NH2+]C1CC2(CC([NH3+])C2)C1 ZINC001577092896 993495987 /nfs/dbraw/zinc/49/59/87/993495987.db2.gz KXAKDDGXUVOUPL-GHNGPNRHSA-N 2 0 212.337 1.271 20 0 BDADRP CC[C@H](CCC(F)(F)F)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001577077770 993496390 /nfs/dbraw/zinc/49/63/90/993496390.db2.gz VSRTVKAYSZVXGP-IMSYWVGJSA-N 2 0 236.281 1.915 20 0 BDADRP CC[C@H](C[NH2+]C[C@H](C[NH3+])C(C)C)C(=O)OC ZINC001577091238 993500169 /nfs/dbraw/zinc/50/01/69/993500169.db2.gz ZHUSXJVOKICKHF-MNOVXSKESA-N 2 0 230.352 1.006 20 0 BDADRP Cc1ccncc1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000383665677 993511584 /nfs/dbraw/zinc/51/15/84/993511584.db2.gz MWTZNRSIVGMPOE-ZDUSSCGKSA-N 2 0 233.359 1.951 20 0 BDADRP COC(=O)[C@H]1CCC[C@@H]([NH2+]CCC[NH+](C)C)C1 ZINC000383956353 993531762 /nfs/dbraw/zinc/53/17/62/993531762.db2.gz HDRUTNCWJHWQTQ-NWDGAFQWSA-N 2 0 242.363 1.260 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)[C@H]1CCCCO1 ZINC001577175504 993534937 /nfs/dbraw/zinc/53/49/37/993534937.db2.gz AKPKCSHHBIMZIZ-HZSPNIEDSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H](CN(CC[NH3+])CC[NH3+])c1ccccc1 ZINC000384342237 993559538 /nfs/dbraw/zinc/55/95/38/993559538.db2.gz XWGPRKWADZXJEL-LBPRGKRZSA-N 2 0 221.348 1.010 20 0 BDADRP CC[C@H]1COCC[N@@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001577300575 993584176 /nfs/dbraw/zinc/58/41/76/993584176.db2.gz URHBYDTXHDXIHN-TUAOUCFPSA-N 2 0 212.337 1.225 20 0 BDADRP CCCC(CCC)[NH2+]C[C@]1(O)CC[NH2+]C1 ZINC001577354271 993611068 /nfs/dbraw/zinc/61/10/68/993611068.db2.gz ZRRUENCBFWTUIA-LBPRGKRZSA-N 2 0 214.353 1.269 20 0 BDADRP CCC[C@@H](CCO)[NH2+]C1CC(CC[NH3+])C1 ZINC001577357942 993613985 /nfs/dbraw/zinc/61/39/85/993613985.db2.gz LPTCKQUDQFVUQO-CXQJBGSLSA-N 2 0 214.353 1.255 20 0 BDADRP CCCC[C@H](C(=O)OC)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC001577387952 993637830 /nfs/dbraw/zinc/63/78/30/993637830.db2.gz CNOHTNBKUHXDFD-VXGBXAGGSA-N 2 0 242.363 1.389 20 0 BDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)[C@H](C)[NH3+] ZINC001577444874 993663508 /nfs/dbraw/zinc/66/35/08/993663508.db2.gz HKDIGEMHYABWTE-UTUOFQBUSA-N 2 0 243.395 1.206 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)[C@H]([NH3+])C(C)C ZINC001577510199 993675584 /nfs/dbraw/zinc/67/55/84/993675584.db2.gz FEBYHMZTSOSGAK-NWDGAFQWSA-N 2 0 243.395 1.206 20 0 BDADRP CCCN(CCC[NH+](C)C)C(=O)C[NH2+]C(C)C ZINC001577519052 993677007 /nfs/dbraw/zinc/67/70/07/993677007.db2.gz FTRVONYSIRRVRY-UHFFFAOYSA-N 2 0 243.395 1.175 20 0 BDADRP CCCN(CCC[NH+](C)C)CC1(C[NH3+])CC1 ZINC001577518931 993677865 /nfs/dbraw/zinc/67/78/65/993677865.db2.gz CXXZKWMFKADNQJ-UHFFFAOYSA-N 3 0 227.396 1.389 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(O)cc3)C[C@@H]2C1 ZINC000386265337 993686073 /nfs/dbraw/zinc/68/60/73/993686073.db2.gz WAHJFHHJQKTZSC-KGLIPLIRSA-N 2 0 246.354 1.776 20 0 BDADRP CCCn1cncc1C[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC001577624590 993700493 /nfs/dbraw/zinc/70/04/93/993700493.db2.gz BOMRUZHCRZMACO-XYPYZODXSA-N 2 0 222.336 1.120 20 0 BDADRP CCCOCC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000387418907 993707958 /nfs/dbraw/zinc/70/79/58/993707958.db2.gz NYPATPBDERHQQG-UHFFFAOYSA-N 2 0 228.380 1.875 20 0 BDADRP CC[N@@H+]1CC[C@H](n2c(C)nc3c2C[NH2+]CC3)C1 ZINC000389617525 993756345 /nfs/dbraw/zinc/75/63/45/993756345.db2.gz ZTLCEOOGGLRTPA-NSHDSACASA-N 2 0 234.347 1.104 20 0 BDADRP C[C@@H](CO)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000389989540 993773425 /nfs/dbraw/zinc/77/34/25/993773425.db2.gz NSBVLCHTIABFJE-VOMCLLRMSA-N 2 0 214.353 1.077 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+]CCc2cnccn2)CC1 ZINC000390076666 993775210 /nfs/dbraw/zinc/77/52/10/993775210.db2.gz XEZKEHVBXFPHTB-GFCCVEGCSA-N 2 0 234.347 1.093 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCOCC2)CC1 ZINC000390283700 993784357 /nfs/dbraw/zinc/78/43/57/993784357.db2.gz WACVRCRYOJMVEJ-QWHCGFSZSA-N 2 0 226.364 1.629 20 0 BDADRP CO[C@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)C)CC2)C1 ZINC000390558920 993796826 /nfs/dbraw/zinc/79/68/26/993796826.db2.gz RJMASTKMVXSSRM-BETUJISGSA-N 2 0 226.364 1.626 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc(=O)[nH]c2)CC1 ZINC000392765772 993883725 /nfs/dbraw/zinc/88/37/25/993883725.db2.gz SPWYAKUIPSXKPP-GFCCVEGCSA-N 2 0 235.331 1.361 20 0 BDADRP CC(C)N1CC(NC2CC[NH+](C3CC3)CC2)C1 ZINC000393694426 993988320 /nfs/dbraw/zinc/98/83/20/993988320.db2.gz MYJVCEPOMQDQJV-UHFFFAOYSA-N 2 0 237.391 1.295 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+][C@@H](CO)C(C)(C)C)CC1 ZINC000393988166 994027966 /nfs/dbraw/zinc/02/79/66/994027966.db2.gz NYQPSCFCUNVPNL-RYUDHWBXSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@H]1OCC[C@H]1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001307989851 995513271 /nfs/dbraw/zinc/51/32/71/995513271.db2.gz VLCFXRWZLTUUQN-RQJABVFESA-N 2 0 238.375 1.295 20 0 BDADRP CO[C@H](C)CC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422906189 398157254 /nfs/dbraw/zinc/15/72/54/398157254.db2.gz UIJBPBOGDABNEZ-QJPTWQEYSA-N 2 0 214.353 1.389 20 0 BDADRP C([C@H]1CC[NH2+]C1)[N@@H+]1CCC[C@H]1C1CCC1 ZINC000390454128 398173835 /nfs/dbraw/zinc/17/38/35/398173835.db2.gz CCYCBOBTIPCGMF-AAEUAGOBSA-N 2 0 208.349 1.860 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCOCC1CCCC1 ZINC000313278284 398182138 /nfs/dbraw/zinc/18/21/38/398182138.db2.gz FQGTXZIBHKHEQI-KGLIPLIRSA-N 2 0 240.391 1.910 20 0 BDADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)CCCC[NH3+] ZINC000423020153 398160951 /nfs/dbraw/zinc/16/09/51/398160951.db2.gz YYQYSPSHAZSGIE-JHJVBQTASA-N 2 0 228.380 1.909 20 0 BDADRP CC[C@H](C[NH2+]C[C@H]1CNCCO1)c1ccccc1 ZINC000415097963 398161707 /nfs/dbraw/zinc/16/17/07/398161707.db2.gz UQEGMGJMMBAQQI-UKRRQHHQSA-N 2 0 248.370 1.758 20 0 BDADRP CC[C@H]([NH2+][C@H](C)CCCC[NH3+])[C@H](O)C(C)C ZINC000423174498 398164440 /nfs/dbraw/zinc/16/44/40/398164440.db2.gz CFZXPUOAINFHEJ-FRRDWIJNSA-N 2 0 230.396 1.889 20 0 BDADRP Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000050580345 178084760 /nfs/dbraw/zinc/08/47/60/178084760.db2.gz NSFNHIIUSCNZJO-NSHDSACASA-N 2 0 222.307 1.915 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH+]1C)C[C@H](O)C1CC1 ZINC000162562122 538923790 /nfs/dbraw/zinc/92/37/90/538923790.db2.gz YFMNHFXIYORCQM-STQMWFEESA-N 2 0 226.364 1.173 20 0 BDADRP C[C@H]1OCC[N@H+](CCCC2CC[NH2+]CC2)[C@H]1C ZINC000380588358 398201261 /nfs/dbraw/zinc/20/12/61/398201261.db2.gz SCBNHUFZRDZPPM-QWHCGFSZSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1cc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc[nH+]1 ZINC000229577439 178122831 /nfs/dbraw/zinc/12/28/31/178122831.db2.gz JHOJNSXZOCUSJG-IACUBPJLSA-N 2 0 231.343 1.954 20 0 BDADRP C[C@@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)C(C)(C)C ZINC000162812800 538924812 /nfs/dbraw/zinc/92/48/12/538924812.db2.gz RSOAFASGPZWLDU-QWHCGFSZSA-N 2 0 242.407 1.715 20 0 BDADRP C[C@@H](CCCCO)[NH2+]CC1([NH3+])CCCCC1 ZINC000643496642 398205703 /nfs/dbraw/zinc/20/57/03/398205703.db2.gz VBHQQVJMFZRPPB-LBPRGKRZSA-N 2 0 228.380 1.789 20 0 BDADRP Cc1cc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)no1 ZINC000069724285 398213510 /nfs/dbraw/zinc/21/35/10/398213510.db2.gz KGPLDUATYWZWTP-NSHDSACASA-N 2 0 223.320 1.544 20 0 BDADRP Cc1cc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)on1 ZINC000069724160 398213978 /nfs/dbraw/zinc/21/39/78/398213978.db2.gz PFNUOIKBYHCJAU-NSHDSACASA-N 2 0 223.320 1.544 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCc2cn[nH]c2)C1 ZINC000381009217 398218810 /nfs/dbraw/zinc/21/88/10/398218810.db2.gz ROPPZXNOPPVMRA-JQWIXIFHSA-N 2 0 222.336 1.011 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H]2CCCOC2)C1 ZINC000082581088 136221709 /nfs/dbraw/zinc/22/17/09/136221709.db2.gz HWLYQCBYACABFC-STQMWFEESA-N 2 0 226.364 1.344 20 0 BDADRP C([C@H]1CC[NH2+]C1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000649413959 398211846 /nfs/dbraw/zinc/21/18/46/398211846.db2.gz YLXAYLHBAGNGII-UONOGXRCSA-N 2 0 237.391 1.014 20 0 BDADRP CCC[N@H+](C)C[C@H]1CCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000649414411 398212738 /nfs/dbraw/zinc/21/27/38/398212738.db2.gz YHOCVMZEECCXPQ-ZIAGYGMSSA-N 2 0 239.407 1.260 20 0 BDADRP Cc1cc(N[C@H]2CCC[NH2+][C@H]2C)cc[nH+]1 ZINC000129504543 178189459 /nfs/dbraw/zinc/18/94/59/178189459.db2.gz OKRNYRBPUIOUAN-JQWIXIFHSA-N 2 0 205.305 1.942 20 0 BDADRP CCC[NH2+][C@@H](C)C(=O)N(CCC)CC[NH+](C)C ZINC000517152239 259302606 /nfs/dbraw/zinc/30/26/06/259302606.db2.gz MXRVBZIGHCDCNV-LBPRGKRZSA-N 2 0 243.395 1.175 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000132973791 398232547 /nfs/dbraw/zinc/23/25/47/398232547.db2.gz LJEVZWOJDREIBG-WZRBSPASSA-N 2 0 241.379 1.103 20 0 BDADRP CCC(CC)C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000336740313 168360117 /nfs/dbraw/zinc/36/01/17/168360117.db2.gz QAUKHFYMAIXUBS-UHFFFAOYSA-N 2 0 228.380 1.469 20 0 BDADRP CC[C@@H](C)[C@H](C[NH2+]CCC[NH+](C)C)OC ZINC000381267026 398242054 /nfs/dbraw/zinc/24/20/54/398242054.db2.gz GNZJKDRBUSRXFK-NEPJUHHUSA-N 2 0 216.369 1.589 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CCCOCC(F)(F)F ZINC000576506759 365611448 /nfs/dbraw/zinc/61/14/48/365611448.db2.gz GQRLQOAYJXMZBR-VIFPVBQESA-N 2 0 242.285 1.672 20 0 BDADRP CC(C)[N@H+](C)CCNC1CC[NH+](C2CC2)CC1 ZINC000336713908 398240521 /nfs/dbraw/zinc/24/05/21/398240521.db2.gz ONBJQWMIFCKREE-UHFFFAOYSA-N 2 0 239.407 1.543 20 0 BDADRP COCC[C@H](C)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000390816895 398250114 /nfs/dbraw/zinc/25/01/14/398250114.db2.gz MYTXWSOALJDKHS-SRVKXCTJSA-N 2 0 212.337 1.095 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCCCN1C1CC1)[C@H](C)O ZINC000576747314 365673803 /nfs/dbraw/zinc/67/38/03/365673803.db2.gz PRHOWHFQWJXTPR-NTZNESFSSA-N 2 0 226.364 1.362 20 0 BDADRP C[C@@H]1CC[C@@H](O)C[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000647997556 398255843 /nfs/dbraw/zinc/25/58/43/398255843.db2.gz NFYQSEWLOJMGQA-TZMCWYRMSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@@H]1C[C@@H]1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000381604046 398266411 /nfs/dbraw/zinc/26/64/11/398266411.db2.gz PDEDGMRZRFXHEJ-GHMZBOCLSA-N 2 0 208.349 1.859 20 0 BDADRP C[NH+]1CCC(C[NH2+]Cc2ccncc2F)CC1 ZINC000449131518 398278524 /nfs/dbraw/zinc/27/85/24/398278524.db2.gz NHFLQEDQKNGGRB-UHFFFAOYSA-N 2 0 237.322 1.652 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000038043747 538964744 /nfs/dbraw/zinc/96/47/44/538964744.db2.gz PBNZQNDJVUCSTK-ZDUSSCGKSA-N 2 0 240.391 1.875 20 0 BDADRP CCC(CC)[NH2+]C[C@H]1CN(C)CCN1C ZINC000082668912 168388987 /nfs/dbraw/zinc/38/89/87/168388987.db2.gz WJBVUXWHCIVQSV-LBPRGKRZSA-N 2 0 213.369 1.010 20 0 BDADRP CCC(CC)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000037859728 168388426 /nfs/dbraw/zinc/38/84/26/168388426.db2.gz ZLXSUEMJEUIKMQ-GFCCVEGCSA-N 2 0 214.353 1.221 20 0 BDADRP C1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000378930587 346862272 /nfs/dbraw/zinc/86/22/72/346862272.db2.gz LRZMXVPTZTYZCO-DMDPSCGWSA-N 2 0 208.349 1.907 20 0 BDADRP CC(C)C[NH2+]C(C)(C)CCN1CC[NH+](C)CC1 ZINC000185897199 538971301 /nfs/dbraw/zinc/97/13/01/538971301.db2.gz QDMXRAKHZRHJLJ-UHFFFAOYSA-N 2 0 241.423 1.648 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000631844253 398290604 /nfs/dbraw/zinc/29/06/04/398290604.db2.gz VZPOHDLDOUPJIQ-ZYHUDNBSSA-N 2 0 222.307 1.852 20 0 BDADRP C([NH2+]C1CSC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000379659744 538979296 /nfs/dbraw/zinc/97/92/96/538979296.db2.gz OOGAHZTXMSRPLJ-SECBINFHSA-N 2 0 212.362 1.176 20 0 BDADRP C([NH2+]C1CSC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000379659745 538979076 /nfs/dbraw/zinc/97/90/76/538979076.db2.gz OOGAHZTXMSRPLJ-VIFPVBQESA-N 2 0 212.362 1.176 20 0 BDADRP C[C@H]([NH2+][C@H](CCO)C(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC000583988668 342829900 /nfs/dbraw/zinc/82/99/00/342829900.db2.gz PCBHIYZCNCPQCB-YNEHKIRRSA-N 2 0 242.407 1.761 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1NCC1([NH3+])CCCCC1 ZINC000335623802 136240236 /nfs/dbraw/zinc/24/02/36/136240236.db2.gz GBRLQLKFCGWAOV-WDEREUQCSA-N 2 0 211.353 1.117 20 0 BDADRP Cc1cc(NCC[NH2+]C(C)(C)C)nc(C)n1 ZINC000189332021 538982438 /nfs/dbraw/zinc/98/24/38/538982438.db2.gz DMMVAIYJFKAGKR-UHFFFAOYSA-N 2 0 222.336 1.893 20 0 BDADRP Cc1ccncc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000167238863 136245247 /nfs/dbraw/zinc/24/52/47/136245247.db2.gz FKZAYTDJUSSYEQ-CYBMUJFWSA-N 2 0 219.332 1.622 20 0 BDADRP CC[N@@H+]1CC[C@H](NC[C@@H](C)[NH+](C)C)[C@H](C)C1 ZINC000167330726 136245495 /nfs/dbraw/zinc/24/54/95/136245495.db2.gz OKJUPXFJWPLMJC-UPJWGTAASA-N 2 0 227.396 1.256 20 0 BDADRP CC1(C)CCC([NH2+]CCN2CC[C@H](O)C2)CC1 ZINC000623836835 342906960 /nfs/dbraw/zinc/90/69/60/342906960.db2.gz LQOFPGLSCDQMSL-ZDUSSCGKSA-N 2 0 240.391 1.611 20 0 BDADRP CC(C)OCCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351480147 136246193 /nfs/dbraw/zinc/24/61/93/136246193.db2.gz TYYMNTOQNCTYDE-AVGNSLFASA-N 2 0 226.364 1.471 20 0 BDADRP CC[C@@]1(C(=O)N[C@H](C)CCCC[NH3+])CCC[NH2+]1 ZINC000494670316 529519439 /nfs/dbraw/zinc/51/94/39/529519439.db2.gz DZAFMCPIKIWNOL-YPMHNXCESA-N 2 0 241.379 1.152 20 0 BDADRP COC1CCC([NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000335595012 536740238 /nfs/dbraw/zinc/74/02/38/536740238.db2.gz MDQWWNCNNPYCPP-GFJIZPEISA-N 2 0 240.391 1.922 20 0 BDADRP CSC1(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000235118628 342987202 /nfs/dbraw/zinc/98/72/02/342987202.db2.gz FNYQQTIQPLKSMP-ZJUUUORDSA-N 2 0 214.378 1.742 20 0 BDADRP CN(CC[C@@H]1CCC[N@@H+]1C)CC[NH+]1CCCC1 ZINC000162493437 349730967 /nfs/dbraw/zinc/73/09/67/349730967.db2.gz WFDCLULOELUPSX-AWEZNQCLSA-N 2 0 239.407 1.498 20 0 BDADRP Nc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000335906772 136260615 /nfs/dbraw/zinc/26/06/15/136260615.db2.gz XSIXBNJVPBKGDY-OCCSQVGLSA-N 2 0 231.343 1.453 20 0 BDADRP CC(C)[N@H+](C)CC(=O)Nc1ccc(C[NH3+])cc1 ZINC000022217327 343044338 /nfs/dbraw/zinc/04/43/38/343044338.db2.gz VNDKYGXQNXUETE-UHFFFAOYSA-N 2 0 235.331 1.424 20 0 BDADRP CC(C)(C)[NH+]1CCC(N[C@@H]2CCC[NH2+]C2)CC1 ZINC000043327295 343051278 /nfs/dbraw/zinc/05/12/78/343051278.db2.gz YKDBXQGWSQHTSX-CYBMUJFWSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H]1C[C@H](C[NH+]2CCC(CC[NH3+])CC2)CC[NH2+]1 ZINC000581947006 343064368 /nfs/dbraw/zinc/06/43/68/343064368.db2.gz JRRBJYYMZFKNMG-TZMCWYRMSA-N 3 0 239.407 1.435 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000236303850 343091748 /nfs/dbraw/zinc/09/17/48/343091748.db2.gz ROZWIIOHVIXSBP-IJLUTSLNSA-N 2 0 212.337 1.273 20 0 BDADRP CC(C)C[C@@H]([NH3+])c1noc(C2=CC[C@H]([NH3+])C2)n1 ZINC000634555391 362045150 /nfs/dbraw/zinc/04/51/50/362045150.db2.gz JLVYYRCGCCSTHP-VHSXEESVSA-N 2 0 236.319 1.620 20 0 BDADRP COCC[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000062079371 136272023 /nfs/dbraw/zinc/27/20/23/136272023.db2.gz MVQRHWBRCGSAPA-STQMWFEESA-N 2 0 228.380 1.733 20 0 BDADRP C[C@H](C(=O)NCCCC[NH3+])[C@H]([NH3+])c1ccccc1 ZINC000131715007 343184204 /nfs/dbraw/zinc/18/42/04/343184204.db2.gz WMJUDLLDUDTSIH-AAEUAGOBSA-N 2 0 249.358 1.178 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCc2ccc(O)cc2)C1 ZINC000093215383 343151170 /nfs/dbraw/zinc/15/11/70/343151170.db2.gz ZRWOGAVGFSURHG-CHWSQXEVSA-N 2 0 234.343 1.794 20 0 BDADRP Cc1ccc(O)c(C[NH+]2CCC(CC[NH3+])CC2)n1 ZINC000091996169 343153281 /nfs/dbraw/zinc/15/32/81/343153281.db2.gz KQZYTKMJIXEAFG-UHFFFAOYSA-N 2 0 249.358 1.656 20 0 BDADRP C[C@H]([NH2+][C@H](CO)C1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000400481701 259354052 /nfs/dbraw/zinc/35/40/52/259354052.db2.gz WJIYVESVBJGYLT-FPMFFAJLSA-N 2 0 240.391 1.658 20 0 BDADRP C[C@H]1C[C@H]([NH3+])CCN1Cc1cccc(O)c1 ZINC000168849498 343210624 /nfs/dbraw/zinc/21/06/24/343210624.db2.gz MODTZMYBIHXRTG-CMPLNLGQSA-N 2 0 220.316 1.704 20 0 BDADRP COC[C@H](C)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000132165971 343187395 /nfs/dbraw/zinc/18/73/95/343187395.db2.gz WAJVRPODLXERIL-OCCSQVGLSA-N 2 0 240.391 1.733 20 0 BDADRP C[N@H+](C[C@H]1CNCCO1)C1CCCCCC1 ZINC000043802330 488208684 /nfs/dbraw/zinc/20/86/84/488208684.db2.gz VWAPACUHVWLCRD-CYBMUJFWSA-N 2 0 226.364 1.629 20 0 BDADRP CC(C)COCC[N@H+](C)CC(C)(C)C[NH3+] ZINC000232635195 136279419 /nfs/dbraw/zinc/27/94/19/136279419.db2.gz AJHVHTLBHSTRMP-UHFFFAOYSA-N 2 0 216.369 1.576 20 0 BDADRP C[C@H]1CC[C@@H](C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)O1 ZINC000634688541 343249138 /nfs/dbraw/zinc/24/91/38/343249138.db2.gz VVAOQCYLSOQWDY-XDQVBPFNSA-N 2 0 238.375 1.485 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CCCN(Cc2ccno2)C1 ZINC000069626881 343286813 /nfs/dbraw/zinc/28/68/13/343286813.db2.gz WXMGAQFTROTTRJ-ZJUUUORDSA-N 2 0 209.293 1.234 20 0 BDADRP C[C@H]([NH3+])C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000037019509 343331155 /nfs/dbraw/zinc/33/11/55/343331155.db2.gz GLKXPMWZPOKZJN-VIFPVBQESA-N 2 0 221.304 1.034 20 0 BDADRP C[C@H]1CCNC[C@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000335636510 136301065 /nfs/dbraw/zinc/30/10/65/136301065.db2.gz MBSJGRGYVAYKSC-YWPUVAFDSA-N 2 0 225.380 1.092 20 0 BDADRP [NH3+][C@H](C(=O)Nc1ccc2c(c1)C[NH2+]C2)C1CCC1 ZINC000335653338 136305452 /nfs/dbraw/zinc/30/54/52/136305452.db2.gz HXGVFJMSZIOPRB-ZDUSSCGKSA-N 2 0 245.326 1.356 20 0 BDADRP Cc1nc(C)c(CN[C@@H]2CC[NH2+][C@@H](C)C2)s1 ZINC000335641595 136308665 /nfs/dbraw/zinc/30/86/65/136308665.db2.gz UFVFNBPLLQAMDR-GZMMTYOYSA-N 2 0 239.388 1.990 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC000166217870 136309976 /nfs/dbraw/zinc/30/99/76/136309976.db2.gz BVLRQCZWGMHSIS-PWSUYJOCSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccnn1C ZINC000335694643 136326501 /nfs/dbraw/zinc/32/65/01/136326501.db2.gz IZWZYQAAIFBKRS-WCQYABFASA-N 2 0 236.363 1.192 20 0 BDADRP C[N@@H+]1CCC[C@H]2C[NH+](CC3CC3)CC[C@H]21 ZINC000247974603 136373486 /nfs/dbraw/zinc/37/34/86/136373486.db2.gz HPPXMLGVMLDJHV-QWHCGFSZSA-N 2 0 208.349 1.813 20 0 BDADRP CC(C)c1ccc(C[N@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000258748480 136373742 /nfs/dbraw/zinc/37/37/42/136373742.db2.gz ABCIZYXGXAMYEV-AWEZNQCLSA-N 2 0 236.359 1.561 20 0 BDADRP CCOCCC[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000083551670 343490079 /nfs/dbraw/zinc/49/00/79/343490079.db2.gz OQNOJFUZVYHXNA-GFCCVEGCSA-N 2 0 214.353 1.344 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+]CCC[NH3+])C12CCC2 ZINC000083684778 343496158 /nfs/dbraw/zinc/49/61/58/343496158.db2.gz PCTQLCSVPWRHAL-QWRGUYRKSA-N 2 0 212.337 1.273 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)CCCC[NH3+] ZINC000379946315 365757514 /nfs/dbraw/zinc/75/75/14/365757514.db2.gz DARVXSQXEXKBIK-QJPTWQEYSA-N 2 0 214.353 1.661 20 0 BDADRP CC[NH+]1CCC([NH2+]CCc2ccncc2)CC1 ZINC000048261219 343574426 /nfs/dbraw/zinc/57/44/26/343574426.db2.gz SDQGLMPRKGGVFL-UHFFFAOYSA-N 2 0 233.359 1.698 20 0 BDADRP C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(C[NH3+])cc1 ZINC000049551606 343602174 /nfs/dbraw/zinc/60/21/74/343602174.db2.gz VKLILMAGNINPSJ-NSHDSACASA-N 2 0 249.358 1.215 20 0 BDADRP Cc1cc(CN2CCC([NH3+])CC2)ccn1 ZINC000391260505 343639272 /nfs/dbraw/zinc/63/92/72/343639272.db2.gz UHBXSKWXFQTFSR-UHFFFAOYSA-N 2 0 205.305 1.313 20 0 BDADRP C[C@H]([NH2+]CCC[NH3+])c1cc(F)cc(F)c1 ZINC000087282697 343642375 /nfs/dbraw/zinc/64/23/75/343642375.db2.gz XTPGQXMNIVIJBA-QMMMGPOBSA-N 2 0 214.259 1.964 20 0 BDADRP CC[C@@H](C)C[C@@H](CC)[NH2+]CCN1CC[C@H](O)C1 ZINC000624333001 343716104 /nfs/dbraw/zinc/71/61/04/343716104.db2.gz FWLKFINDRJFUNG-MCIONIFRSA-N 2 0 242.407 1.857 20 0 BDADRP CC(C)CC[C@H](C)[NH2+]CCN1CC[C@H](O)C1 ZINC000624332982 343716408 /nfs/dbraw/zinc/71/64/08/343716408.db2.gz FDCCFQPOEQMOME-STQMWFEESA-N 2 0 228.380 1.467 20 0 BDADRP C[NH2+][C@H](C)Cc1noc([C@@H](C(C)C)[C@@H](C)[NH3+])n1 ZINC000584171826 343768735 /nfs/dbraw/zinc/76/87/35/343768735.db2.gz HHGCTLCYGIPYGQ-KKZNHRDASA-N 2 0 240.351 1.307 20 0 BDADRP c1nc(CN2CCC[N@@H+](C3CCCC3)CC2)c[nH]1 ZINC000179770196 346996108 /nfs/dbraw/zinc/99/61/08/346996108.db2.gz HLKXQQGLFSKBLZ-UHFFFAOYSA-N 2 0 248.374 1.860 20 0 BDADRP CCc1nccn1C[C@@H](O)C[N@H+](C)C(C)C ZINC000381100253 343973432 /nfs/dbraw/zinc/97/34/32/343973432.db2.gz XOXDJZUYMAHHRF-NSHDSACASA-N 2 0 225.336 1.147 20 0 BDADRP C[N@H+](CC[C@H]1CCC[NH+]1C)CC1(C)COC1 ZINC000625791559 344075579 /nfs/dbraw/zinc/07/55/79/344075579.db2.gz NHRGLEWWHGYBLR-GFCCVEGCSA-N 2 0 226.364 1.439 20 0 BDADRP C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732431 344107179 /nfs/dbraw/zinc/10/71/79/344107179.db2.gz GOYMGQFSADZTDE-QJPTWQEYSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)CC[NH2+]1 ZINC000634733433 344113096 /nfs/dbraw/zinc/11/30/96/344113096.db2.gz FRKNAIIMWKJQFY-RQJABVFESA-N 3 0 237.391 1.106 20 0 BDADRP CC[C@H](COC)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733339 344113219 /nfs/dbraw/zinc/11/32/19/344113219.db2.gz CXCUKIKIAALYOH-NEPJUHHUSA-N 2 0 228.380 1.779 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000634733513 344113323 /nfs/dbraw/zinc/11/33/23/344113323.db2.gz HEIWQUCYOLASRA-XQQFMLRXSA-N 3 0 239.407 1.624 20 0 BDADRP CC1(C)C[NH2+]CC[C@H](NCC23CC(C2)C[NH2+]3)C1 ZINC000634733508 344113342 /nfs/dbraw/zinc/11/33/42/344113342.db2.gz HDYMOLIEVHSRKW-LXVYMNJGSA-N 2 0 237.391 1.106 20 0 BDADRP CC1(C)C[NH2+]CC[C@H](NC2CC[NH2+]CC2)C1 ZINC000634733774 344113989 /nfs/dbraw/zinc/11/39/89/344113989.db2.gz NMMCSQWLUKYSCJ-LBPRGKRZSA-N 2 0 225.380 1.106 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733776 344114022 /nfs/dbraw/zinc/11/40/22/344114022.db2.gz NOEDNZLXFLKUMX-OLZOCXBDSA-N 2 0 241.423 1.728 20 0 BDADRP CC[C@@H]([NH3+])C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000130298769 344129108 /nfs/dbraw/zinc/12/91/08/344129108.db2.gz MGUVFLMYACCPLU-CYBMUJFWSA-N 2 0 249.358 1.102 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000622044871 344229252 /nfs/dbraw/zinc/22/92/52/344229252.db2.gz WLIWSEYHYSLEHE-NWDGAFQWSA-N 2 0 226.364 1.663 20 0 BDADRP Cc1cnccc1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000384919921 344233092 /nfs/dbraw/zinc/23/30/92/344233092.db2.gz FBVAIEZPPKIZMK-GJZGRUSLSA-N 2 0 245.370 1.951 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CCC(C)(C)C ZINC000234714764 344205302 /nfs/dbraw/zinc/20/53/02/344205302.db2.gz AESRLDYRJNHOKT-LLVKDONJSA-N 2 0 216.369 1.766 20 0 BDADRP C[NH2+]C[C@H](C)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000092133675 344289441 /nfs/dbraw/zinc/28/94/41/344289441.db2.gz JRNFTEAOWMOOQW-NSHDSACASA-N 2 0 249.358 1.542 20 0 BDADRP CN(CCC[NH3+])CC[C@@H]1CCCC[N@@H+]1C ZINC000133203993 344315196 /nfs/dbraw/zinc/31/51/96/344315196.db2.gz RLIPGTAKBATFJH-LBPRGKRZSA-N 2 0 213.369 1.141 20 0 BDADRP CO[C@@H](C)[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000133335656 344315457 /nfs/dbraw/zinc/31/54/57/344315457.db2.gz FLQBHKZYPWWNGM-QWRGUYRKSA-N 2 0 214.353 1.341 20 0 BDADRP C[NH2+]Cc1ccccc1NC(=O)CC[NH2+]C(C)C ZINC000131633163 344318444 /nfs/dbraw/zinc/31/84/44/344318444.db2.gz PRDNZIUVFPBCDK-UHFFFAOYSA-N 2 0 249.358 1.733 20 0 BDADRP CC(C)CCOCCN1C[C@@H]([NH3+])C[C@H]1C ZINC000385083478 344320591 /nfs/dbraw/zinc/32/05/91/344320591.db2.gz KFPJEOKPPCCYAL-NEPJUHHUSA-N 2 0 214.353 1.471 20 0 BDADRP CSC[C@@H]1CCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000400115924 344320599 /nfs/dbraw/zinc/32/05/99/344320599.db2.gz JOSINHBWJIQZGV-NEPJUHHUSA-N 2 0 228.405 1.813 20 0 BDADRP CC(C)[NH+]1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000036190218 344332114 /nfs/dbraw/zinc/33/21/14/344332114.db2.gz SLHLAKJKPFXYCM-ZDUSSCGKSA-N 2 0 225.380 1.012 20 0 BDADRP COC(=O)CCCC[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000600703777 344359782 /nfs/dbraw/zinc/35/97/82/344359782.db2.gz LTVRZEAVHFPKGA-LLVKDONJSA-N 2 0 242.363 1.389 20 0 BDADRP COC(=O)CCCC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000600709087 344360934 /nfs/dbraw/zinc/36/09/34/344360934.db2.gz ODXITQHHEAMVCL-CYBMUJFWSA-N 2 0 240.347 1.015 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CN1CCCOc1ccccc1 ZINC000385202734 344376556 /nfs/dbraw/zinc/37/65/56/344376556.db2.gz BSNHYMRLSSKYCZ-OLZOCXBDSA-N 2 0 234.343 1.877 20 0 BDADRP CN(c1cc(NC2CC2)ncn1)[C@@H](C[NH3+])C1CC1 ZINC000634811667 344396482 /nfs/dbraw/zinc/39/64/82/344396482.db2.gz MVOFCXZJWIYPLT-NSHDSACASA-N 2 0 247.346 1.224 20 0 BDADRP CC[C@@H](O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000042396080 344452387 /nfs/dbraw/zinc/45/23/87/344452387.db2.gz NZIZAUVHPHUJTG-GFCCVEGCSA-N 2 0 214.353 1.031 20 0 BDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CC(C1CC1)C1CC1 ZINC000381274038 344501109 /nfs/dbraw/zinc/50/11/09/344501109.db2.gz WKOYMPFANAFYFE-YGRLFVJLSA-N 2 0 222.376 1.962 20 0 BDADRP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@@H](C)[NH3+] ZINC000037812231 344591053 /nfs/dbraw/zinc/59/10/53/344591053.db2.gz SKIPJFYDDCIZON-GFCCVEGCSA-N 2 0 243.395 1.160 20 0 BDADRP C([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCCO1 ZINC000127726567 192075560 /nfs/dbraw/zinc/07/55/60/192075560.db2.gz LJVZVUQDZNIGEK-AGIUHOORSA-N 2 0 224.348 1.382 20 0 BDADRP Cc1cnc(CC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])nc1 ZINC000578231068 344737205 /nfs/dbraw/zinc/73/72/05/344737205.db2.gz AEDQRHWVDJWZBH-OLZOCXBDSA-N 2 0 248.374 1.435 20 0 BDADRP OCCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075835925 344792709 /nfs/dbraw/zinc/79/27/09/344792709.db2.gz XVZWJOMOWVDSCF-ZDUSSCGKSA-N 2 0 226.364 1.177 20 0 BDADRP C[NH+]1CCC(O)(C[NH2+]C2CCCCCC2)CC1 ZINC000077450300 344824612 /nfs/dbraw/zinc/82/46/12/344824612.db2.gz XZXISWOPHXIVGZ-UHFFFAOYSA-N 2 0 240.391 1.756 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000574452555 344854721 /nfs/dbraw/zinc/85/47/21/344854721.db2.gz BVKAQDBITDJGSD-DGCLKSJQSA-N 3 0 225.380 1.045 20 0 BDADRP C[C@H]([NH2+]CCC[NH+](C)C)C1CC(F)(F)C1 ZINC000628199548 344970309 /nfs/dbraw/zinc/97/03/09/344970309.db2.gz XCVHNKHSYQEEFL-VIFPVBQESA-N 2 0 220.307 1.962 20 0 BDADRP c1[nH]nc2cccc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)c12 ZINC000628191543 344945844 /nfs/dbraw/zinc/94/58/44/344945844.db2.gz NYWCAPDFLXSNBA-VXGBXAGGSA-N 2 0 242.326 1.214 20 0 BDADRP Cc1ccc(CN2CC[C@H](C[NH+](C)C)C2)cn1 ZINC000153898045 344995931 /nfs/dbraw/zinc/99/59/31/344995931.db2.gz OVIWIXAWNNPWHD-CQSZACIVSA-N 2 0 233.359 1.774 20 0 BDADRP CCC(CC)(C[NH3+])NC(=O)CC1CC[NH2+]CC1 ZINC000154465359 345036412 /nfs/dbraw/zinc/03/64/12/345036412.db2.gz MNRSMJZNNNZVAH-UHFFFAOYSA-N 2 0 241.379 1.010 20 0 BDADRP CC[C@H](C)[C@H](C)[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000318834359 323083051 /nfs/dbraw/zinc/08/30/51/323083051.db2.gz AMCDKZHONGXYCH-RWMBFGLXSA-N 2 0 228.380 1.779 20 0 BDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)C1(C)CC1 ZINC000155079503 345064185 /nfs/dbraw/zinc/06/41/85/345064185.db2.gz CZCSJFGNJBMLFN-OLZOCXBDSA-N 2 0 239.407 1.401 20 0 BDADRP C[NH2+]CCC1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634991819 345178405 /nfs/dbraw/zinc/17/84/05/345178405.db2.gz SFWWAROSNVMPCJ-UHFFFAOYSA-N 2 0 237.391 1.060 20 0 BDADRP CN(CCc1nccs1)CC12CC(C1)C[NH2+]2 ZINC000634993546 345190520 /nfs/dbraw/zinc/19/05/20/345190520.db2.gz XTUWODRDGVASBZ-UHFFFAOYSA-N 2 0 237.372 1.369 20 0 BDADRP CN(CC1CC[NH+](C)CC1)CC12CC(C1)C[NH2+]2 ZINC000634992201 345179795 /nfs/dbraw/zinc/17/97/95/345179795.db2.gz IAQRVAPSNAUWFC-UHFFFAOYSA-N 2 0 237.391 1.012 20 0 BDADRP CC(C)[NH2+]C1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634992626 345181130 /nfs/dbraw/zinc/18/11/30/345181130.db2.gz WFJVGMDGAFAGMR-UHFFFAOYSA-N 2 0 237.391 1.201 20 0 BDADRP CC(C)[C@@H](C[NH3+])CNC[C@@]1(C)CCC[NH2+]C1 ZINC000634995627 345185188 /nfs/dbraw/zinc/18/51/88/345185188.db2.gz KWKBMERRGNDNBM-STQMWFEESA-N 2 0 227.396 1.197 20 0 BDADRP CC(C)[C@@H](C[NH3+])CN1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000634995447 345185303 /nfs/dbraw/zinc/18/53/03/345185303.db2.gz FFJWHVUYBSKJTQ-FRRDWIJNSA-N 2 0 227.396 1.134 20 0 BDADRP CC[NH+]1CCC(CC[NH2+]Cc2ccon2)CC1 ZINC000634964722 345134586 /nfs/dbraw/zinc/13/45/86/345134586.db2.gz KHNUYESBYOOYQK-UHFFFAOYSA-N 2 0 237.347 1.886 20 0 BDADRP C[C@H]1CC2(C[N@@H+]1CC13CC(C1)C[NH2+]3)CC[NH2+]CC2 ZINC000634996347 345187625 /nfs/dbraw/zinc/18/76/25/345187625.db2.gz HMLQUJIBXMJLJO-OPFPJEHXSA-N 2 0 249.402 1.202 20 0 BDADRP CC(C)[C@@H](C[NH3+])CN1C[C@@H]([NH3+])Cc2ccccc21 ZINC000634996405 345187668 /nfs/dbraw/zinc/18/76/68/345187668.db2.gz IWRCITYAGNSAKX-KBPBESRZSA-N 2 0 247.386 1.607 20 0 BDADRP CC(C)[C@@H](C[NH3+])C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000634993796 345191705 /nfs/dbraw/zinc/19/17/05/345191705.db2.gz GTYWKOVMWCMMAP-STQMWFEESA-N 2 0 227.396 1.278 20 0 BDADRP C[NH+](C)[C@@H]1CCCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634993977 345192843 /nfs/dbraw/zinc/19/28/43/345192843.db2.gz MJGNWTMIZQGMOA-ROKHWSDSSA-N 2 0 237.391 1.155 20 0 BDADRP CC(C)[C@H](C[NH3+])CN1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000634997667 345193127 /nfs/dbraw/zinc/19/31/27/345193127.db2.gz QEWXQWOXVFHYQF-AGIUHOORSA-N 3 0 225.380 1.031 20 0 BDADRP CC(C)([NH3+])CN1CCC(C)([NH+]2CCCC2)CC1 ZINC000634998283 345198013 /nfs/dbraw/zinc/19/80/13/345198013.db2.gz CXWHMWRQPIRQIE-UHFFFAOYSA-N 2 0 239.407 1.674 20 0 BDADRP C[C@H]1O[C@@H](C)C[C@H]1[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000635001079 345202747 /nfs/dbraw/zinc/20/27/47/345202747.db2.gz FSYPSDSPROFZSF-NZEXEKPDSA-N 2 0 226.364 1.530 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+][C@H]2CCCn3nccc32)CC[NH2+]1 ZINC000635002004 345203469 /nfs/dbraw/zinc/20/34/69/345203469.db2.gz KQYOWRXXKAQITG-AGIUHOORSA-N 2 0 248.374 1.696 20 0 BDADRP CCC1([NH+](C)C)CCN(CC(C)(C)[NH3+])CC1 ZINC000635002144 345203992 /nfs/dbraw/zinc/20/39/92/345203992.db2.gz NFZARSBJWDGJFL-UHFFFAOYSA-N 2 0 227.396 1.530 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000635003074 345205347 /nfs/dbraw/zinc/20/53/47/345205347.db2.gz FPNDGGXNKDZKEX-QJPTWQEYSA-N 2 0 214.353 1.255 20 0 BDADRP Cc1nccnc1[C@@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635003302 345205399 /nfs/dbraw/zinc/20/53/99/345205399.db2.gz BQUBJHRQJZBNSV-JHJVBQTASA-N 2 0 248.374 1.953 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCCC12CC2 ZINC000635003433 345206391 /nfs/dbraw/zinc/20/63/91/345206391.db2.gz JNTGRGLTHSJBLU-NWDGAFQWSA-N 2 0 226.364 1.663 20 0 BDADRP C[C@@H](N[C@H]1CC[NH2+]CC(C)(C)C1)[C@@H]1CCC[NH2+]1 ZINC000635003621 345206458 /nfs/dbraw/zinc/20/64/58/345206458.db2.gz AMFWASZVKJKUDU-AGIUHOORSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NCC[C@H]([NH3+])Cc1ccccc1 ZINC000635003633 345206465 /nfs/dbraw/zinc/20/64/65/345206465.db2.gz BCSCFDHWBMKPTE-GUTXKFCHSA-N 2 0 249.402 1.662 20 0 BDADRP C[C@H]1CN(C)C[C@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635004780 345208434 /nfs/dbraw/zinc/20/84/34/345208434.db2.gz FJCHVZOQROEJOS-ZDEQEGDKSA-N 2 0 225.380 1.044 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)[C@@H](C)O1 ZINC000635005433 345209117 /nfs/dbraw/zinc/20/91/17/345209117.db2.gz NNDNKKMNURGBQU-CLPYTZEMSA-N 2 0 226.364 1.530 20 0 BDADRP CCC[C@@H](CCO)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000635005300 345209424 /nfs/dbraw/zinc/20/94/24/345209424.db2.gz UEUTUHJWMOBVIX-WOPDTQHZSA-N 2 0 214.353 1.268 20 0 BDADRP CC[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CCC[NH2+]1 ZINC000635006893 345211215 /nfs/dbraw/zinc/21/12/15/345211215.db2.gz UIIUXWQEFJJXLK-XUXIUFHCSA-N 3 0 239.407 1.624 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635009657 345211865 /nfs/dbraw/zinc/21/18/65/345211865.db2.gz YTIJOHNHSBYCLX-UPJWGTAASA-N 2 0 239.407 1.352 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635011575 345213333 /nfs/dbraw/zinc/21/33/33/345213333.db2.gz QYAWZNZQVSRQAR-NWDGAFQWSA-N 2 0 248.370 1.845 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635008430 345216127 /nfs/dbraw/zinc/21/61/27/345216127.db2.gz UFMRDWNOASOIII-SDDRHHMPSA-N 2 0 227.396 1.480 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)C1CCOCC1 ZINC000635008212 345216240 /nfs/dbraw/zinc/21/62/40/345216240.db2.gz SAPBKIDEBYQCKF-OBJOEFQTSA-N 2 0 240.391 1.909 20 0 BDADRP CC[C@@H](C)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635008871 345216847 /nfs/dbraw/zinc/21/68/47/345216847.db2.gz LAIUPPUKSFTFGW-LLVKDONJSA-N 2 0 234.347 1.702 20 0 BDADRP CC[C@H](O)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000381297251 345262242 /nfs/dbraw/zinc/26/22/42/345262242.db2.gz GXWOLIPVXNJJLB-ZDUSSCGKSA-N 2 0 226.364 1.221 20 0 BDADRP Cn1ccnc1N1CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000089926897 345566007 /nfs/dbraw/zinc/56/60/07/345566007.db2.gz XDFOIJIPBOYXMP-CYBMUJFWSA-N 2 0 246.358 1.651 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]C2CCC(O)CC2)[C@H](C)C1 ZINC000090799983 345576053 /nfs/dbraw/zinc/57/60/53/345576053.db2.gz XXCKJDQECAIBHG-BLYZHGLHSA-N 2 0 240.391 1.610 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000626140055 345635370 /nfs/dbraw/zinc/63/53/70/345635370.db2.gz LUIKAXNLPMSKQV-IGQOVBAYSA-N 2 0 238.375 1.316 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000221909707 535003586 /nfs/dbraw/zinc/00/35/86/535003586.db2.gz CQUOTEQPPQICLN-KBPBESRZSA-N 2 0 241.423 1.789 20 0 BDADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2ccccn2)C1 ZINC000221395175 345747145 /nfs/dbraw/zinc/74/71/45/345747145.db2.gz AFVMTHVFPDHLGW-RYUDHWBXSA-N 2 0 219.332 1.689 20 0 BDADRP CC(C)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000145265606 345710591 /nfs/dbraw/zinc/71/05/91/345710591.db2.gz VIJSHIPDJVOQHD-UHFFFAOYSA-N 2 0 240.391 1.829 20 0 BDADRP Fc1ccc(OCC[NH2+]C2CC[NH2+]CC2)cc1 ZINC000166102608 345720871 /nfs/dbraw/zinc/72/08/71/345720871.db2.gz FNOLZHPHZPKEJL-UHFFFAOYSA-N 2 0 238.306 1.546 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CNCCN1C)c1ccccc1 ZINC000211136986 345737020 /nfs/dbraw/zinc/73/70/20/345737020.db2.gz MGWDLHWQGYKORO-GXTWGEPZSA-N 2 0 233.359 1.241 20 0 BDADRP OC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000159979767 345768132 /nfs/dbraw/zinc/76/81/32/345768132.db2.gz KIQNOLREJAFVAF-NEPJUHHUSA-N 2 0 224.348 1.118 20 0 BDADRP CCC[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000159980933 345769206 /nfs/dbraw/zinc/76/92/06/345769206.db2.gz XPNRCKVGFIECDV-XQQFMLRXSA-N 2 0 226.364 1.364 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+][C@@H](CO)Cc2ccccc2)C1 ZINC000093216082 345857970 /nfs/dbraw/zinc/85/79/70/345857970.db2.gz FSDRREZNGRPVKW-RRFJBIMHSA-N 2 0 248.370 1.450 20 0 BDADRP Cc1cc(N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)cc[nH+]1 ZINC000418991985 192091934 /nfs/dbraw/zinc/09/19/34/192091934.db2.gz FJZZYBHQENVMTH-OLZOCXBDSA-N 2 0 249.358 1.281 20 0 BDADRP C[C@@H]1C[C@H](NC2C[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000307707844 345926508 /nfs/dbraw/zinc/92/65/08/345926508.db2.gz ZVLDAQXNAAUMPE-OCCSQVGLSA-N 2 0 245.370 1.211 20 0 BDADRP CCC[NH2+]CCNC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000449369966 201887881 /nfs/dbraw/zinc/88/78/81/201887881.db2.gz GROKYKKLSCNONH-VXGBXAGGSA-N 2 0 241.379 1.010 20 0 BDADRP Cc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(C)c1 ZINC000090320048 537956754 /nfs/dbraw/zinc/95/67/54/537956754.db2.gz KNBSTKBCAVUEEY-GASCZTMLSA-N 2 0 230.355 1.955 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000390431442 259388704 /nfs/dbraw/zinc/38/87/04/259388704.db2.gz AFCQOKFFSYZBSG-ZFDZMSFRSA-N 2 0 228.380 1.872 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@H](O)CC(F)(F)F ZINC000307944330 346298458 /nfs/dbraw/zinc/29/84/58/346298458.db2.gz WEOJIGJWNNGRIV-DTWKUNHWSA-N 2 0 242.285 1.230 20 0 BDADRP CSCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401144039 346312398 /nfs/dbraw/zinc/31/23/98/346312398.db2.gz NMICTUALLMBEPD-QJPTWQEYSA-N 2 0 228.405 1.717 20 0 BDADRP CC[NH+](CC)CC[C@@H](CO)[NH2+]CC(C)(C)C ZINC000641770996 362708486 /nfs/dbraw/zinc/70/84/86/362708486.db2.gz BCQXQEOZFLTTCX-LBPRGKRZSA-N 2 0 230.396 1.715 20 0 BDADRP Cc1cccc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)c1C ZINC000313345291 179074957 /nfs/dbraw/zinc/07/49/57/179074957.db2.gz FJJOMIJDVIKWJB-HNNXBMFYSA-N 2 0 248.370 1.853 20 0 BDADRP Cc1cccc(C[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000011891266 179081976 /nfs/dbraw/zinc/08/19/76/179081976.db2.gz BDSHSISUPPUKTE-CYBMUJFWSA-N 2 0 204.317 1.776 20 0 BDADRP CCOC(=O)CCCC[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000603433461 349962204 /nfs/dbraw/zinc/96/22/04/349962204.db2.gz NQYMBFFKZTYUAO-GHMZBOCLSA-N 2 0 242.363 1.435 20 0 BDADRP [NH3+]C[C@@H](N[C@@H]1CCC[NH2+]CC1)C1CCCC1 ZINC000333177616 537981228 /nfs/dbraw/zinc/98/12/28/537981228.db2.gz RFBLVVGHDJVAGF-CHWSQXEVSA-N 2 0 225.380 1.236 20 0 BDADRP [NH3+]C1(C[NH2+]C[C@@H]2CCC3(CCCC3)O2)CCC1 ZINC000641799788 362750053 /nfs/dbraw/zinc/75/00/53/362750053.db2.gz ZLPOXAMBZLAQCS-LBPRGKRZSA-N 2 0 238.375 1.949 20 0 BDADRP CC[N@@H+]1CCCN(CC[NH2+]C(C)C)CC1 ZINC000373373191 346510324 /nfs/dbraw/zinc/51/03/24/346510324.db2.gz OAULRXXGRPLEMB-UHFFFAOYSA-N 2 0 213.369 1.012 20 0 BDADRP [NH3+]CCCCC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000580072086 346512148 /nfs/dbraw/zinc/51/21/48/346512148.db2.gz LNMZAKONWIUIML-UHFFFAOYSA-N 2 0 247.342 1.400 20 0 BDADRP COC[C@H](C)C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000187179900 346559242 /nfs/dbraw/zinc/55/92/42/346559242.db2.gz OWUAHAZMVRQQQT-GFCCVEGCSA-N 2 0 228.380 1.543 20 0 BDADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000580212296 346687480 /nfs/dbraw/zinc/68/74/80/346687480.db2.gz GEEDKHMJGGYPRK-QNWHQSFQSA-N 2 0 226.364 1.802 20 0 BDADRP FCCCCC[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000380203045 346737782 /nfs/dbraw/zinc/73/77/82/346737782.db2.gz RPSUVHGMYSMSQS-ZDUSSCGKSA-N 2 0 243.370 1.106 20 0 BDADRP C[C@@H]([NH3+])CCC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000577177290 365858388 /nfs/dbraw/zinc/85/83/88/365858388.db2.gz PQEVSQOKNOJRJP-SECBINFHSA-N 2 0 233.315 1.356 20 0 BDADRP C[C@H](CCCO)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000087358846 365862300 /nfs/dbraw/zinc/86/23/00/365862300.db2.gz WEALGBUWPDUOEY-OUAUKWLOSA-N 2 0 200.326 1.007 20 0 BDADRP Cc1cccc(OCC[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000132230543 179168625 /nfs/dbraw/zinc/16/86/25/179168625.db2.gz QUMKLAMRQTWLOR-AWEZNQCLSA-N 2 0 248.370 1.963 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000577178945 365862377 /nfs/dbraw/zinc/86/23/77/365862377.db2.gz VVKAUNOLADHQBR-GWCFXTLKSA-N 2 0 220.316 1.412 20 0 BDADRP CO[C@@H]([C@H](C)[NH2+][C@H](C)CCCC[NH3+])C1CC1 ZINC000388230111 347251213 /nfs/dbraw/zinc/25/12/13/347251213.db2.gz MAGZZGRSRLITPY-MDZLAQPJSA-N 2 0 228.380 1.907 20 0 BDADRP CC(C)n1cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cn1 ZINC000571404519 323143659 /nfs/dbraw/zinc/14/36/59/323143659.db2.gz XFORCRNCFMRDFN-MNOVXSKESA-N 2 0 224.352 1.679 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCCOC1 ZINC000388445326 347408824 /nfs/dbraw/zinc/40/88/24/347408824.db2.gz HVNBAXAPSFVLJJ-MELADBBJSA-N 2 0 240.391 1.733 20 0 BDADRP C[N@H+](CCC[NH3+])CCCc1ccccc1 ZINC000019834744 347360521 /nfs/dbraw/zinc/36/05/21/347360521.db2.gz UAVVEFHZIGDBJF-UHFFFAOYSA-N 2 0 206.333 1.900 20 0 BDADRP C[C@@H](CCn1cccn1)[NH2+][C@@H]1CCCN(C)C1 ZINC000679384824 488348944 /nfs/dbraw/zinc/34/89/44/488348944.db2.gz ANFWBEKMVUHLHT-QWHCGFSZSA-N 2 0 236.363 1.346 20 0 BDADRP CC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000109754617 347465603 /nfs/dbraw/zinc/46/56/03/347465603.db2.gz BYXYDCPPFBAAOF-ZDUSSCGKSA-N 2 0 225.380 1.108 20 0 BDADRP Cc1ccc(C[NH2+]CC2([NH3+])CCOCC2)s1 ZINC000149797147 347521315 /nfs/dbraw/zinc/52/13/15/347521315.db2.gz JFWIFVHIIIRGBL-UHFFFAOYSA-N 2 0 240.372 1.654 20 0 BDADRP C[C@@H](C[C@H]1CCC[NH2+]1)NCC1([NH3+])CCCCC1 ZINC000414842390 323151633 /nfs/dbraw/zinc/15/16/33/323151633.db2.gz MMWFODIHATUYDK-QWHCGFSZSA-N 2 0 239.407 1.768 20 0 BDADRP CCOC(=O)CC[C@@H]1CCC[N@H+](CCC[NH3+])C1 ZINC000591272484 347636743 /nfs/dbraw/zinc/63/67/43/347636743.db2.gz UVPUANLOZQYZTQ-LBPRGKRZSA-N 2 0 242.363 1.391 20 0 BDADRP C[C@H]1C[C@H](C[NH3+])CN1CC[NH2+]C(C)(C)C ZINC000414654288 323150959 /nfs/dbraw/zinc/15/09/59/323150959.db2.gz BUXVTNNUJMLNBL-WDEREUQCSA-N 2 0 213.369 1.044 20 0 BDADRP CC[C@@H]([NH2+]C[C@H](C)[NH3+])C1(C(=O)OC)CCC1 ZINC000591581386 347678873 /nfs/dbraw/zinc/67/88/73/347678873.db2.gz SZDJRNLPUGLBCE-VHSXEESVSA-N 2 0 228.336 1.045 20 0 BDADRP CSCC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000591567786 347670621 /nfs/dbraw/zinc/67/06/21/347670621.db2.gz DHUFAXFAJHJDDJ-ZJUUUORDSA-N 2 0 202.367 1.327 20 0 BDADRP CSCC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000591567784 347671074 /nfs/dbraw/zinc/67/10/74/347671074.db2.gz DHUFAXFAJHJDDJ-UWVGGRQHSA-N 2 0 202.367 1.327 20 0 BDADRP COC(=O)CC[N@H+](CC(C)C)C[C@H]1CC[NH2+]C1 ZINC000592493572 347787802 /nfs/dbraw/zinc/78/78/02/347787802.db2.gz VPRBKIGAPCCIIG-LBPRGKRZSA-N 2 0 242.363 1.117 20 0 BDADRP CC[C@H](C)[C@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000319569895 259398563 /nfs/dbraw/zinc/39/85/63/259398563.db2.gz QSZAVRBNYPCTIU-STQMWFEESA-N 2 0 227.396 1.306 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000577395146 365944515 /nfs/dbraw/zinc/94/45/15/365944515.db2.gz JSBSTNVESPKSNJ-CQSZACIVSA-N 3 0 233.359 1.377 20 0 BDADRP Cc1ccccc1[C@H](C)[N@H+](C)CCOCC[NH3+] ZINC000357027190 179334838 /nfs/dbraw/zinc/33/48/38/179334838.db2.gz KKDDLPBBDZANPK-ZDUSSCGKSA-N 2 0 236.359 1.963 20 0 BDADRP CC(C)[NH+](CCNC(=O)C(C)(C)C[NH3+])C(C)C ZINC000044751347 348020970 /nfs/dbraw/zinc/02/09/70/348020970.db2.gz ISUPDWDGOQVYQF-UHFFFAOYSA-N 2 0 243.395 1.206 20 0 BDADRP Cc1cccnc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000161854354 179372735 /nfs/dbraw/zinc/37/27/35/179372735.db2.gz TWCMTKUYPFKWMR-CYBMUJFWSA-N 2 0 233.359 1.951 20 0 BDADRP CC(C)[NH+](CCCNC(=O)[C@@H](C)C[NH3+])C(C)C ZINC000563808734 323178617 /nfs/dbraw/zinc/17/86/17/323178617.db2.gz NYFYHNYAPZIXEU-LBPRGKRZSA-N 2 0 243.395 1.206 20 0 BDADRP Cc1cccnc1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000161771785 179374451 /nfs/dbraw/zinc/37/44/51/179374451.db2.gz DGKBZFXPQCPJNW-GFCCVEGCSA-N 2 0 233.359 1.949 20 0 BDADRP CC[C@@H](C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)OC ZINC000419316540 192121533 /nfs/dbraw/zinc/12/15/33/192121533.db2.gz XAYVMLLRISSJAA-OLZOCXBDSA-N 2 0 228.380 1.828 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](O)C2(C)C)CC1(C)C ZINC000623497129 362920716 /nfs/dbraw/zinc/92/07/16/362920716.db2.gz YEHJCAWXROBTPW-SDDRHHMPSA-N 2 0 240.391 1.608 20 0 BDADRP C[C@@H]1CSCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000251710511 362900695 /nfs/dbraw/zinc/90/06/95/362900695.db2.gz JJIOIRDRJFWAGN-GHMZBOCLSA-N 2 0 214.378 1.423 20 0 BDADRP COC(=O)CCCC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000599292533 349148956 /nfs/dbraw/zinc/14/89/56/349148956.db2.gz GAJLVKKIEDMFPW-GFCCVEGCSA-N 2 0 242.363 1.213 20 0 BDADRP CC[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000248373571 349126152 /nfs/dbraw/zinc/12/61/52/349126152.db2.gz JUPHVTGDGNHSMW-UONOGXRCSA-N 2 0 239.407 1.497 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCOC2)C1 ZINC000250488063 349170848 /nfs/dbraw/zinc/17/08/48/349170848.db2.gz FLHPXKHEBATCSN-OLZOCXBDSA-N 2 0 226.364 1.485 20 0 BDADRP CC[C@@H]([NH3+])CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000449608666 201983413 /nfs/dbraw/zinc/98/34/13/201983413.db2.gz JJJZBMRTBHHSIP-CYBMUJFWSA-N 2 0 249.358 1.215 20 0 BDADRP CC(C)[C@@H](CO)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623524714 362945186 /nfs/dbraw/zinc/94/51/86/362945186.db2.gz GHLHKUMZUUDDLJ-CHWSQXEVSA-N 2 0 242.407 1.713 20 0 BDADRP C[NH+](C)C[C@@](C)(O)C[NH2+][C@H]1CCCC(C)(C)C1 ZINC000131493057 191013896 /nfs/dbraw/zinc/01/38/96/191013896.db2.gz UNPQROIXXOLDJX-JSGCOSHPSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)CO1 ZINC000402208861 350044024 /nfs/dbraw/zinc/04/40/24/350044024.db2.gz IXEAMSKMEXGYGD-CKIKVBCHSA-N 2 0 226.364 1.482 20 0 BDADRP C[NH+](C)CCNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000071399961 350104773 /nfs/dbraw/zinc/10/47/73/350104773.db2.gz FKPJABGDLKHQJK-CYBMUJFWSA-N 2 0 249.358 1.144 20 0 BDADRP C[C@@H]1C[C@@H](NCCC[NH+](C)C)C[N@@H+]1C1CC1 ZINC000132005554 191021833 /nfs/dbraw/zinc/02/18/33/191021833.db2.gz JKVYEHQRRVTDML-VXGBXAGGSA-N 2 0 225.380 1.153 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1CCCOC1)[C@@H]1CCC[NH2+]1 ZINC000422721127 192442875 /nfs/dbraw/zinc/44/28/75/192442875.db2.gz UPSVUWBXXQZPMR-AGIUHOORSA-N 2 0 226.364 1.533 20 0 BDADRP C[NH+](C)CCCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000422741896 192448732 /nfs/dbraw/zinc/44/87/32/192448732.db2.gz FLPLWARPYPZKHG-VXGBXAGGSA-N 2 0 213.369 1.188 20 0 BDADRP COC(=O)C(C)(C)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000304343431 350154689 /nfs/dbraw/zinc/15/46/89/350154689.db2.gz BQQFGRGAZNSMBA-UWVGGRQHSA-N 2 0 228.336 1.045 20 0 BDADRP CCC[C@H](O)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000133615884 191041912 /nfs/dbraw/zinc/04/19/12/191041912.db2.gz OQHCYYRJSUQXNM-ZDUSSCGKSA-N 2 0 228.380 1.610 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000309192798 350167427 /nfs/dbraw/zinc/16/74/27/350167427.db2.gz CRDOUTMHBCPPGP-CHWSQXEVSA-N 3 0 227.396 1.435 20 0 BDADRP COCC[C@@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000309585076 490358483 /nfs/dbraw/zinc/35/84/83/490358483.db2.gz RXXBEEVOSSVLQI-UPJWGTAASA-N 2 0 226.364 1.343 20 0 BDADRP C(C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)[C@H]1CCOC1 ZINC000334278662 538063903 /nfs/dbraw/zinc/06/39/03/538063903.db2.gz POMUBUSWROSZCU-KBPBESRZSA-N 2 0 238.375 1.489 20 0 BDADRP CC(C)C[C@](C)(C[NH3+])NC(=O)C[N@H+](C)C(C)C ZINC000236681031 191060787 /nfs/dbraw/zinc/06/07/87/191060787.db2.gz KMTWDCVQRFAJBM-CYBMUJFWSA-N 2 0 243.395 1.206 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[NH2+]C[C@@H]1CCCCO1 ZINC000042825312 191067541 /nfs/dbraw/zinc/06/75/41/191067541.db2.gz DIHDZHMAPIINBX-NEPJUHHUSA-N 2 0 214.353 1.519 20 0 BDADRP CC[NH2+]CC1CC[NH+](CCCOCC)CC1 ZINC000083551677 350240353 /nfs/dbraw/zinc/24/03/53/350240353.db2.gz HMDCMLLMXPCKDL-UHFFFAOYSA-N 2 0 228.380 1.735 20 0 BDADRP [NH3+]CCC[N@@H+]1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000334873312 538078686 /nfs/dbraw/zinc/07/86/86/538078686.db2.gz HELCVVKDFLGPCJ-MPEURRAXSA-N 2 0 208.349 1.846 20 0 BDADRP C[C@H](CCO)CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623535060 362953497 /nfs/dbraw/zinc/95/34/97/362953497.db2.gz LAPRSYQWWWNMRC-STQMWFEESA-N 2 0 242.407 1.857 20 0 BDADRP CCC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)CC)C1CCC1 ZINC000325109078 350313990 /nfs/dbraw/zinc/31/39/90/350313990.db2.gz YWDTZKXAJAQAPG-ZIAGYGMSSA-N 2 0 242.407 1.857 20 0 BDADRP Cc1ncsc1CC[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000227068148 180309486 /nfs/dbraw/zinc/30/94/86/180309486.db2.gz BLRJUSNEZJTSAU-ONGXEEELSA-N 2 0 239.388 1.663 20 0 BDADRP Cc1ncsc1CCN1CCC[C@@H]1C[NH3+] ZINC000133245681 180309758 /nfs/dbraw/zinc/30/97/58/180309758.db2.gz LEOJSDHMFFUDHN-SNVBAGLBSA-N 2 0 225.361 1.417 20 0 BDADRP Cc1ncsc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000229064529 180318225 /nfs/dbraw/zinc/31/82/25/180318225.db2.gz CHWNPMBPPHIMIJ-ONGXEEELSA-N 2 0 239.388 1.868 20 0 BDADRP Cc1ncsc1C[NH2+]CCCC[NH+](C)C ZINC000084149368 180320935 /nfs/dbraw/zinc/32/09/35/180320935.db2.gz JLIFWHPLXVTPNK-UHFFFAOYSA-N 2 0 227.377 1.883 20 0 BDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000328533470 350402206 /nfs/dbraw/zinc/40/22/06/350402206.db2.gz YZVWXVLQSKAWSK-MCIONIFRSA-N 2 0 242.407 1.843 20 0 BDADRP Cc1nn(C)c(C)c1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000092324901 180341519 /nfs/dbraw/zinc/34/15/19/180341519.db2.gz SPBHIAQCMFLOIN-AAEUAGOBSA-N 2 0 236.363 1.254 20 0 BDADRP [NH3+]CC1CCC([NH2+]CCCOCC2CC2)CC1 ZINC000422785678 192467664 /nfs/dbraw/zinc/46/76/64/192467664.db2.gz NTFUSIGONJJOLL-UHFFFAOYSA-N 2 0 240.391 1.910 20 0 BDADRP COCCC[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000062031638 350537042 /nfs/dbraw/zinc/53/70/42/350537042.db2.gz NEQDKEDJOYSCHY-LBPRGKRZSA-N 2 0 214.353 1.344 20 0 BDADRP C[NH2+][C@@H](C)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000577528229 365980562 /nfs/dbraw/zinc/98/05/62/365980562.db2.gz GNVUHRGBLMNTNI-NSHDSACASA-N 2 0 241.379 1.023 20 0 BDADRP CC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000339008855 350726910 /nfs/dbraw/zinc/72/69/10/350726910.db2.gz DGOWEHAUWNEDRS-ZIAGYGMSSA-N 2 0 240.391 1.421 20 0 BDADRP CCCCOCC[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422791449 192470473 /nfs/dbraw/zinc/47/04/73/192470473.db2.gz YMCNWMWNCRLUDN-QWRGUYRKSA-N 2 0 202.342 1.519 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(C(N)=O)cs1 ZINC000571208479 350869727 /nfs/dbraw/zinc/86/97/27/350869727.db2.gz DFNJFFSZMULETO-SFYZADRCSA-N 2 0 241.360 1.062 20 0 BDADRP C[C@@H]1CSCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000251761520 350902608 /nfs/dbraw/zinc/90/26/08/350902608.db2.gz LWRKTBUTIHNXKT-ZJUUUORDSA-N 2 0 200.351 1.033 20 0 BDADRP CCCC[N@H+](C)CC1CC[NH+](CCCO)CC1 ZINC000052209645 350939629 /nfs/dbraw/zinc/93/96/29/350939629.db2.gz MAILRNFSRWBBAD-UHFFFAOYSA-N 2 0 242.407 1.813 20 0 BDADRP CC[C@H]1C[N@H+](C[C@H]2CC[NH2+]C2)CCS1 ZINC000252690418 350913772 /nfs/dbraw/zinc/91/37/72/350913772.db2.gz UXQJLXYQKHBJLG-QWRGUYRKSA-N 2 0 214.378 1.423 20 0 BDADRP C[NH2+]CCSCCC[NH+]1CCCC1 ZINC000382653034 350938199 /nfs/dbraw/zinc/93/81/99/350938199.db2.gz BYQGTIAHNKAINL-UHFFFAOYSA-N 2 0 202.367 1.425 20 0 BDADRP CCN1CCC[C@@H]([NH2+][C@H](C)CCC[NH3+])C1 ZINC000336688383 350970719 /nfs/dbraw/zinc/97/07/19/350970719.db2.gz LOIQMXKUUNTPPS-VXGBXAGGSA-N 2 0 213.369 1.188 20 0 BDADRP CN1CC(C[N@H+](C)Cc2cccc3n[nH]cc32)C1 ZINC000628338584 351285352 /nfs/dbraw/zinc/28/53/52/351285352.db2.gz OVEVTJSHBIYVSK-UHFFFAOYSA-N 2 0 244.342 1.556 20 0 BDADRP CC[C@H](C(=O)N1CCCC[C@H]1[C@H](C)[NH3+])[NH+](C)C ZINC000637807783 351644722 /nfs/dbraw/zinc/64/47/22/351644722.db2.gz NWQRFSJYOCUBCV-TUAOUCFPSA-N 2 0 241.379 1.055 20 0 BDADRP CC[NH+]1CCN([C@H](C)C[NH2+]CC2(C)CC2)CC1 ZINC000577693595 366036876 /nfs/dbraw/zinc/03/68/76/366036876.db2.gz PGRWITPZALJMOA-CYBMUJFWSA-N 2 0 239.407 1.402 20 0 BDADRP CO[C@@](C)(C[NH+]1CCC([NH+](C)C)CC1)C1CC1 ZINC000637927390 351803056 /nfs/dbraw/zinc/80/30/56/351803056.db2.gz OVNWWEGSGIGJLV-AWEZNQCLSA-N 2 0 240.391 1.828 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000577839676 366078731 /nfs/dbraw/zinc/07/87/31/366078731.db2.gz GPZASPUGJLPZPT-OLZOCXBDSA-N 3 0 225.380 1.236 20 0 BDADRP C[N@H+](CCC[C@H]1CCO1)C[C@H]1CCC[NH+](C)C1 ZINC000637930626 351807041 /nfs/dbraw/zinc/80/70/41/351807041.db2.gz QKRGUOSASIKLBA-KBPBESRZSA-N 2 0 240.391 1.829 20 0 BDADRP CC[C@@](C)(C[N@@H+]1CC[C@@H](C[NH+](C)C)C1)OC ZINC000638077620 351950906 /nfs/dbraw/zinc/95/09/06/351950906.db2.gz VTFWXGXZSBTGTF-STQMWFEESA-N 2 0 228.380 1.685 20 0 BDADRP CC[NH2+][C@@H](C)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000638127342 351999074 /nfs/dbraw/zinc/99/90/74/351999074.db2.gz VBCQMNKRJMTJFR-WDEREUQCSA-N 2 0 243.395 1.077 20 0 BDADRP CC[C@@H](C(=O)N1CCCC[C@H]1CC[NH3+])[NH+](C)C ZINC000638233763 352085906 /nfs/dbraw/zinc/08/59/06/352085906.db2.gz KEXWXMKWXVPVMS-RYUDHWBXSA-N 2 0 241.379 1.057 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)[C@@H](C)[NH+](C)C)cc1 ZINC000638254511 352097564 /nfs/dbraw/zinc/09/75/64/352097564.db2.gz GSBPAVUGWWECAN-SNVBAGLBSA-N 2 0 235.331 1.295 20 0 BDADRP CC[NH2+][C@@H](C)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000638257670 352100544 /nfs/dbraw/zinc/10/05/44/352100544.db2.gz ZHBUTPZNOFFVLG-JTQLQIEISA-N 2 0 235.331 1.343 20 0 BDADRP CC(C)N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000036190202 187595887 /nfs/dbraw/zinc/59/58/87/187595887.db2.gz GZAZRBRPVHRGGA-UHFFFAOYSA-N 2 0 225.380 1.012 20 0 BDADRP C(C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)C[C@H]1CCO1 ZINC000638368426 352179528 /nfs/dbraw/zinc/17/95/28/352179528.db2.gz LDVUADXCULDTMF-BFHYXJOUSA-N 2 0 238.375 1.772 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000638427362 352235586 /nfs/dbraw/zinc/23/55/86/352235586.db2.gz HPPJJTFJSJFFBY-NEPJUHHUSA-N 2 0 243.395 1.240 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@H]1CCCCO1 ZINC000252157888 363181315 /nfs/dbraw/zinc/18/13/15/363181315.db2.gz PKPAUSDVZPNXOB-IJLUTSLNSA-N 2 0 212.337 1.367 20 0 BDADRP CCN(CC[NH3+])C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000638516356 352347022 /nfs/dbraw/zinc/34/70/22/352347022.db2.gz AITUOMQCVMAVFJ-LBPRGKRZSA-N 2 0 241.379 1.058 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH2+]CCC[C@@H]2CCO2)C1 ZINC000638588776 352419920 /nfs/dbraw/zinc/41/99/20/352419920.db2.gz NNDMZKJBMHYNQB-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H](Cc1cnccn1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000638589374 352420859 /nfs/dbraw/zinc/42/08/59/352420859.db2.gz TVOPCWFJASOHMK-QWHCGFSZSA-N 2 0 248.374 1.339 20 0 BDADRP Cc1ccc(O)c(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000415003825 352478861 /nfs/dbraw/zinc/47/88/61/352478861.db2.gz XPBBMBMEHXREOJ-RYUDHWBXSA-N 2 0 249.358 1.703 20 0 BDADRP OCCC1(C[NH2+][C@H]2CCC[NH2+]CC2)CCCC1 ZINC000415087896 352567038 /nfs/dbraw/zinc/56/70/38/352567038.db2.gz VPNQGSRCPGKPMF-ZDUSSCGKSA-N 2 0 240.391 1.661 20 0 BDADRP CC(C)[NH+]1CCC(N[C@H]2CCC[NH2+]C2)CC1 ZINC000043325037 352636577 /nfs/dbraw/zinc/63/65/77/352636577.db2.gz CYBLHIQYWKEBLR-ZDUSSCGKSA-N 2 0 225.380 1.201 20 0 BDADRP CC(C)[NH+]1CCC(N[C@@H]2CCC[NH2+]C2)CC1 ZINC000043325035 352636651 /nfs/dbraw/zinc/63/66/51/352636651.db2.gz CYBLHIQYWKEBLR-CYBMUJFWSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H]1[C@H](CO)CCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000412079251 191252585 /nfs/dbraw/zinc/25/25/85/191252585.db2.gz LCEIAKSSWIXSJR-RDBSUJKOSA-N 2 0 240.391 1.564 20 0 BDADRP Cc1nccn1CC[N@H+]1CCC[C@@H](CO)[C@@H]1C ZINC000412099228 191259559 /nfs/dbraw/zinc/25/95/59/191259559.db2.gz WIJXMYQTSWCGPQ-AAEUAGOBSA-N 2 0 237.347 1.284 20 0 BDADRP C[C@H]1C[N@H+](C)C[C@H]1NCCC[NH+]1CCCCC1 ZINC000343034565 352941716 /nfs/dbraw/zinc/94/17/16/352941716.db2.gz NTKPLJQOETZULN-UONOGXRCSA-N 2 0 239.407 1.402 20 0 BDADRP CO[C@](C)(C[NH2+]CC1=CC[N@H+](C)CC1)C1CC1 ZINC000638838066 353022657 /nfs/dbraw/zinc/02/26/57/353022657.db2.gz CKZJONAQAMMEEQ-CQSZACIVSA-N 2 0 238.375 1.653 20 0 BDADRP CC[NH+](CC)CC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638820449 353000094 /nfs/dbraw/zinc/00/00/94/353000094.db2.gz WGGKZERHQYISEL-LBPRGKRZSA-N 2 0 241.379 1.058 20 0 BDADRP CC[C@]1(C(=O)Nc2cccc(C[NH3+])c2)CCC[NH2+]1 ZINC000134365197 538111830 /nfs/dbraw/zinc/11/18/30/538111830.db2.gz MLYPYPOOLUIEGA-CQSZACIVSA-N 2 0 247.342 1.616 20 0 BDADRP CC(C)[C@H]([NH3+])C(=O)NCC[NH+](C(C)C)C(C)C ZINC000019507303 188231712 /nfs/dbraw/zinc/23/17/12/188231712.db2.gz RSJJNRMPSJRLHM-LBPRGKRZSA-N 2 0 243.395 1.205 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353687440 188235111 /nfs/dbraw/zinc/23/51/11/188235111.db2.gz ZYHZSWBNAJXMPT-QNSTZXKLSA-N 2 0 240.391 1.608 20 0 BDADRP CC(C)C[C@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000357075546 188239283 /nfs/dbraw/zinc/23/92/83/188239283.db2.gz NOJRGZQRAYVRTI-CYBMUJFWSA-N 2 0 228.380 1.720 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000357066939 188239736 /nfs/dbraw/zinc/23/97/36/188239736.db2.gz DBPSKAUOELSBQL-VXGBXAGGSA-N 2 0 244.404 1.322 20 0 BDADRP CC(C)[NH+]1CCC([N@H+](C)CCC(C)(C)O)CC1 ZINC000360439749 188242825 /nfs/dbraw/zinc/24/28/25/188242825.db2.gz YWMCAQMMNOIUBL-UHFFFAOYSA-N 2 0 242.407 1.952 20 0 BDADRP CC(C)C[C@H](C[NH2+]C1CCOCC1)N(C)C ZINC000036304520 188255341 /nfs/dbraw/zinc/25/53/41/188255341.db2.gz XVWJGPYEMDKUJU-CYBMUJFWSA-N 2 0 228.380 1.731 20 0 BDADRP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@H](C)N(C)C ZINC000310244787 188255677 /nfs/dbraw/zinc/25/56/77/188255677.db2.gz VDBUPHCSCWZZHI-OLZOCXBDSA-N 2 0 238.379 1.447 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@H](C)CCC[NH3+] ZINC000336715435 188256306 /nfs/dbraw/zinc/25/63/06/188256306.db2.gz WPDHCBOQUAIVHU-GFCCVEGCSA-N 3 0 215.385 1.434 20 0 BDADRP COc1ccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000234933175 188302512 /nfs/dbraw/zinc/30/25/12/188302512.db2.gz ICIDVDLVRTXACN-CQSZACIVSA-N 2 0 234.343 1.866 20 0 BDADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)C1CC1 ZINC000122793696 324058695 /nfs/dbraw/zinc/05/86/95/324058695.db2.gz ZKPMFXMZUAXTGQ-AAEUAGOBSA-N 2 0 228.380 1.731 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH2+]C2CCSCC2)C1 ZINC000044533417 188325949 /nfs/dbraw/zinc/32/59/49/188325949.db2.gz PWYHPMKGXGSZBP-NSHDSACASA-N 2 0 228.405 1.813 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCOC2)CC1 ZINC000119750580 188326612 /nfs/dbraw/zinc/32/66/12/188326612.db2.gz VMMBPAFPZSAFEO-STQMWFEESA-N 2 0 240.391 1.874 20 0 BDADRP CC(C)[NH+]1CCC(NC[C@@H](C)[NH+](C)C)CC1 ZINC000038088990 188337880 /nfs/dbraw/zinc/33/78/80/188337880.db2.gz ZITVOZOATJAFLU-GFCCVEGCSA-N 2 0 227.396 1.399 20 0 BDADRP CC(C)[C@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000336763041 188350098 /nfs/dbraw/zinc/35/00/98/188350098.db2.gz OTSKIEVLOHCYRY-NSHDSACASA-N 2 0 214.353 1.077 20 0 BDADRP C[NH+](C)CCOC1CC[NH+](CC2CC2)CC1 ZINC000336706408 188359546 /nfs/dbraw/zinc/35/95/46/188359546.db2.gz RPARVTGFGKWKNI-UHFFFAOYSA-N 2 0 226.364 1.439 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C2CSC2)C1 ZINC000308549924 538116934 /nfs/dbraw/zinc/11/69/34/538116934.db2.gz XCIDBDGNPHZILU-SNVBAGLBSA-N 2 0 214.378 1.422 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000331966784 188368278 /nfs/dbraw/zinc/36/82/78/188368278.db2.gz KYLSMSPCRIIFFL-QJPTWQEYSA-N 2 0 213.369 1.219 20 0 BDADRP Cc1nocc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000351401903 133969110 /nfs/dbraw/zinc/96/91/10/133969110.db2.gz UZMMJQHKCXMRFK-UHFFFAOYSA-N 2 0 237.347 1.757 20 0 BDADRP CC(C)[NH+](CCNC(=O)[C@@H](C)[C@H](C)[NH3+])C(C)C ZINC000133628166 188404686 /nfs/dbraw/zinc/40/46/86/188404686.db2.gz VIFNAYNYZNKFMB-RYUDHWBXSA-N 2 0 243.395 1.205 20 0 BDADRP CC(C)[C@H]([NH3+])CNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000295202337 188392937 /nfs/dbraw/zinc/39/29/37/188392937.db2.gz PFQDQGSXCWZQES-QWHCGFSZSA-N 2 0 249.358 1.176 20 0 BDADRP C[C@H]([NH3+])CCC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000193316943 353583571 /nfs/dbraw/zinc/58/35/71/353583571.db2.gz GAKRBRAGHFQPSR-SRVKXCTJSA-N 2 0 241.379 1.103 20 0 BDADRP CC(C)C[NH+]1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000062912437 353574237 /nfs/dbraw/zinc/57/42/37/353574237.db2.gz ZGQXWAZIJHUNIP-CQSZACIVSA-N 2 0 239.407 1.260 20 0 BDADRP CO[C@](C)(C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)C1CC1 ZINC000639113590 353706130 /nfs/dbraw/zinc/70/61/30/353706130.db2.gz ORNGUXFAKWMYCQ-MBNYWOFBSA-N 2 0 238.375 1.295 20 0 BDADRP CCOC(=O)CN(C[C@H]1CCC[NH2+]C1)C(C)C ZINC000220366578 353837430 /nfs/dbraw/zinc/83/74/30/353837430.db2.gz JVBSEDOMNZQBJQ-LBPRGKRZSA-N 2 0 242.363 1.260 20 0 BDADRP C[C@@H]1CC[NH+](CCOCC[N@H+]2CC[C@@H](C)C2)C1 ZINC000343459321 353895920 /nfs/dbraw/zinc/89/59/20/353895920.db2.gz TUYJMLDVTTZBMY-ZIAGYGMSSA-N 2 0 240.391 1.687 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C(=O)NC(C)(C)C[NH3+])cc1 ZINC000577947317 366125859 /nfs/dbraw/zinc/12/58/59/366125859.db2.gz OUACFLVQVUMSNJ-SECBINFHSA-N 2 0 235.331 1.173 20 0 BDADRP C[C@@H]1C[C@@H](CO)CC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000344137926 354151643 /nfs/dbraw/zinc/15/16/43/354151643.db2.gz KADOROJGTGXWLV-HZSPNIEDSA-N 2 0 240.391 1.564 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCC[C@H]2O)[C@@H](C)C1 ZINC000449735847 202012610 /nfs/dbraw/zinc/01/26/10/202012610.db2.gz JLVMKBUFDMVSNY-IGQOVBAYSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@H]1C[C@@H](CN2CCC3(CC[NH2+]3)CC2)CC[NH2+]1 ZINC000334587520 354212725 /nfs/dbraw/zinc/21/27/25/354212725.db2.gz OOWDWBMNLXIKGO-STQMWFEESA-N 2 0 237.391 1.202 20 0 BDADRP CCc1cc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc[nH+]1 ZINC000334675816 354418746 /nfs/dbraw/zinc/41/87/46/354418746.db2.gz LOVJAKAEEBDSQK-TXEJJXNPSA-N 2 0 231.343 1.642 20 0 BDADRP CN(C)c1ncc(C[N@@H+]2CC[C@H]3CCC[C@@H]32)n1C ZINC000335109823 354695679 /nfs/dbraw/zinc/69/56/79/354695679.db2.gz JBJGJIBJTRHNEE-YPMHNXCESA-N 2 0 248.374 1.861 20 0 BDADRP [NH3+]C1CCC([NH2+][C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000335137690 354788242 /nfs/dbraw/zinc/78/82/42/354788242.db2.gz NIBXWQGXWYJRRC-FIYWTHMPSA-N 3 0 225.380 1.506 20 0 BDADRP FC1(F)CCN(CCCn2ccnc2)C1 ZINC000345965065 354822557 /nfs/dbraw/zinc/82/25/57/354822557.db2.gz WAYHFAFMFSJERR-UHFFFAOYSA-N 2 0 215.247 1.614 20 0 BDADRP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000335145942 354856568 /nfs/dbraw/zinc/85/65/68/354856568.db2.gz KTOMOXBEHYYKRI-DLOFLVKXSA-N 3 0 237.391 1.329 20 0 BDADRP CC[C@H](C)[C@@H](C)[NH2+][C@@H](CCC[NH3+])COC ZINC000233991464 363412168 /nfs/dbraw/zinc/41/21/68/363412168.db2.gz SRURYULOBUJJCC-TUAOUCFPSA-N 2 0 216.369 1.765 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CC1CCCC1 ZINC000234713909 363428251 /nfs/dbraw/zinc/42/82/51/363428251.db2.gz SFGGNQYFBKGGTE-GFCCVEGCSA-N 2 0 214.353 1.520 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCCS1 ZINC000234792140 363431551 /nfs/dbraw/zinc/43/15/51/363431551.db2.gz VXKPPPFLVFRKLC-WDEREUQCSA-N 2 0 232.393 1.226 20 0 BDADRP Cc1ccc(NC(=O)N[C@H](C)C[NH3+])c(C)n1 ZINC000335167151 354925721 /nfs/dbraw/zinc/92/57/21/354925721.db2.gz DEJIKQKVQBGEQT-MRVPVSSYSA-N 2 0 222.292 1.167 20 0 BDADRP C[C@@H]1[C@@H](CO)CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000335173349 354939295 /nfs/dbraw/zinc/93/92/95/354939295.db2.gz NEDRUEFXJPYXRZ-DGCLKSJQSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@H](N[C@@H]1CC[NH2+]C12CCC2)[C@H]1CCC[NH2+]1 ZINC000530215869 324530929 /nfs/dbraw/zinc/53/09/29/324530929.db2.gz JVIIZJCKGIEKLG-QJPTWQEYSA-N 2 0 223.364 1.001 20 0 BDADRP CC[C@H]1C[C@H](C[NH+]2CCC(C[NH3+])CC2)CCO1 ZINC000346636712 355014730 /nfs/dbraw/zinc/01/47/30/355014730.db2.gz HKFDDXRUUTUUTJ-KGLIPLIRSA-N 2 0 240.391 1.862 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCN(Cc2ccn(C(F)F)n2)C1 ZINC000346691821 355074937 /nfs/dbraw/zinc/07/49/37/355074937.db2.gz WPQYLLNFDYUTTR-DTWKUNHWSA-N 2 0 244.289 1.447 20 0 BDADRP CC(C)([NH3+])CN1CC[C@@H](Nc2ccccc2)C1 ZINC000346863090 355119402 /nfs/dbraw/zinc/11/94/02/355119402.db2.gz WZYSZFAWPBIAAH-CYBMUJFWSA-N 2 0 233.359 1.910 20 0 BDADRP Cc1n[nH]c(C)c1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000346853502 355139087 /nfs/dbraw/zinc/13/90/87/355139087.db2.gz SSJUDUBRWRKZPU-DRZSPHRISA-N 2 0 234.347 1.196 20 0 BDADRP CC(C)CO[C@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346964809 355172310 /nfs/dbraw/zinc/17/23/10/355172310.db2.gz BTPHLJJVVFGXQX-KGLIPLIRSA-N 2 0 240.391 1.733 20 0 BDADRP C[N@H+](CC1CC[NH2+]CC1)[C@@H](CO)C(C)(C)C ZINC000346985374 355186636 /nfs/dbraw/zinc/18/66/36/355186636.db2.gz PGTOWIVDQOZENW-LBPRGKRZSA-N 2 0 228.380 1.325 20 0 BDADRP C[C@@H]1CC2(C[N@@H+]1CCCF)CC[NH2+]CC2 ZINC000335280574 355244717 /nfs/dbraw/zinc/24/47/17/355244717.db2.gz WFUCYINSTQZFDT-LLVKDONJSA-N 2 0 214.328 1.810 20 0 BDADRP C[C@H](N[C@H]1CCC[C@@H]([NH+](C)C)C1)[C@@H]1CCC[NH2+]1 ZINC000422841179 192485544 /nfs/dbraw/zinc/48/55/44/192485544.db2.gz VKHMEIBIUJSVBG-FQUUOJAGSA-N 2 0 239.407 1.589 20 0 BDADRP CO[C@H](C[NH2+]CC[C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000639256708 355300115 /nfs/dbraw/zinc/30/01/15/355300115.db2.gz DTRLFVRGCCDLHT-GXTWGEPZSA-N 2 0 240.391 1.733 20 0 BDADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccns2)C1 ZINC000639257994 355303602 /nfs/dbraw/zinc/30/36/02/355303602.db2.gz WBZKGLUKFUOCPY-NSHDSACASA-N 2 0 239.388 1.965 20 0 BDADRP CCOC(=O)[C@@H](CC)[NH+]1CCC(CC[NH3+])CC1 ZINC000084105484 355287796 /nfs/dbraw/zinc/28/77/96/355287796.db2.gz WVZMJFFECGEOEY-GFCCVEGCSA-N 2 0 242.363 1.389 20 0 BDADRP Cc1n[nH]c(C)c1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000335783279 355431181 /nfs/dbraw/zinc/43/11/81/355431181.db2.gz NVUHXUBKOXNWIV-KWQFWETISA-N 2 0 222.336 1.196 20 0 BDADRP CC[C@H]([NH3+])CN[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000414991043 191642968 /nfs/dbraw/zinc/64/29/68/191642968.db2.gz PYQHYIGQDZKPHE-ZNMIVQPWSA-N 2 0 247.386 1.807 20 0 BDADRP C[C@@H](CC[NH3+])NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000349952351 355535565 /nfs/dbraw/zinc/53/55/65/355535565.db2.gz OTJARCSMFLITJD-RYUDHWBXSA-N 2 0 241.379 1.104 20 0 BDADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]CC2(C[NH3+])CC2)CC1 ZINC000415025006 191655398 /nfs/dbraw/zinc/65/53/98/191655398.db2.gz OSVNQIDKPTUSCP-HAQNSBGRSA-N 3 0 225.380 1.080 20 0 BDADRP C([NH2+][C@H]1CCC[C@H]1C1CC1)[C@@H]1CC[NH2+]C1 ZINC000414899074 191620225 /nfs/dbraw/zinc/62/02/25/191620225.db2.gz CDQGFJULVZTVKP-WXHSDQCUSA-N 2 0 208.349 1.764 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000335856222 355601499 /nfs/dbraw/zinc/60/14/99/355601499.db2.gz XUYQOPNKDXHVJJ-LLVKDONJSA-N 2 0 230.315 1.344 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+][C@H](CN)C2CCCC2)CC[NH2+]1 ZINC000415065007 191667197 /nfs/dbraw/zinc/66/71/97/191667197.db2.gz LYRGFRDPPDKPFL-MBNYWOFBSA-N 2 0 239.407 1.482 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000415077476 191671745 /nfs/dbraw/zinc/67/17/45/191671745.db2.gz FGIJORGUXBODJI-UPJWGTAASA-N 2 0 236.363 1.249 20 0 BDADRP Cc1nnsc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000639308175 355663728 /nfs/dbraw/zinc/66/37/28/355663728.db2.gz DCMXBOWYFKWLBJ-AOOOYVTPSA-N 2 0 240.376 1.276 20 0 BDADRP CC[C@H](C)[C@H](C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)OC ZINC000639313532 355690915 /nfs/dbraw/zinc/69/09/15/355690915.db2.gz XCPMEOIQGGPIFS-FQUUOJAGSA-N 2 0 242.407 1.977 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]CCC[C@@H]2CCO2)C1 ZINC000639312582 355680652 /nfs/dbraw/zinc/68/06/52/355680652.db2.gz KGTFKBPEUJXMJL-FRRDWIJNSA-N 2 0 226.364 1.485 20 0 BDADRP CS[C@H]1CC[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000425366085 191828610 /nfs/dbraw/zinc/82/86/10/191828610.db2.gz ZGNJGQNOOGRSRC-RYUDHWBXSA-N 2 0 228.405 1.812 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(CCO)CC1 ZINC000536609600 355843818 /nfs/dbraw/zinc/84/38/18/355843818.db2.gz VTOMVEKGRIPOOV-CQSZACIVSA-N 2 0 240.391 1.565 20 0 BDADRP C[N@@H+]1CC[C@@H](NCc2ncc[nH]2)CC1(C)C ZINC000639369020 355854228 /nfs/dbraw/zinc/85/42/28/355854228.db2.gz ZKRQGZGCNMLNME-SNVBAGLBSA-N 2 0 222.336 1.372 20 0 BDADRP CC[NH+]1CCC(NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000166884945 355861756 /nfs/dbraw/zinc/86/17/56/355861756.db2.gz BNBHNRJHVCKFOC-ZDUSSCGKSA-N 2 0 225.380 1.155 20 0 BDADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCOCC3CC3)C[C@@H]12 ZINC000351492433 356001624 /nfs/dbraw/zinc/00/16/24/356001624.db2.gz KWFQWFHURRJLNI-YNEHKIRRSA-N 2 0 224.348 1.082 20 0 BDADRP C[C@@H](CCCO)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000087358386 491086323 /nfs/dbraw/zinc/08/63/23/491086323.db2.gz AIIUITWRNIJYEH-RYUDHWBXSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1cnn(C)c1 ZINC000335919116 356165745 /nfs/dbraw/zinc/16/57/45/356165745.db2.gz IKJIXAQIBITZQU-DGCLKSJQSA-N 2 0 236.363 1.192 20 0 BDADRP COCc1cccc(C[NH2+][C@H](C)C2C[NH2+]C2)c1 ZINC000422884995 192498263 /nfs/dbraw/zinc/49/82/63/192498263.db2.gz SYDKNOXEXPJXCJ-LLVKDONJSA-N 2 0 234.343 1.531 20 0 BDADRP C[C@@H]1C[N@H+](CCCc2ccncc2)CC[C@@H]1[NH3+] ZINC000420297284 192204815 /nfs/dbraw/zinc/20/48/15/192204815.db2.gz YLIKLFWDRXQHQC-OCCSQVGLSA-N 2 0 233.359 1.683 20 0 BDADRP CO[C@H](C)C[N@H+](CC[C@@H]1CC[NH2+]C1)C(C)C ZINC000420300414 192206185 /nfs/dbraw/zinc/20/61/85/192206185.db2.gz KIFWHEBTOMXJSG-OLZOCXBDSA-N 2 0 228.380 1.731 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420318933 192195140 /nfs/dbraw/zinc/19/51/40/192195140.db2.gz WWVHEESFCGKALG-KGLIPLIRSA-N 3 0 239.407 1.437 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000420320949 192195330 /nfs/dbraw/zinc/19/53/30/192195330.db2.gz URFLBCWLXLTVSL-KBPBESRZSA-N 2 0 239.407 1.260 20 0 BDADRP CC(C)[N@@H+](CCc1cncn1C)C[C@H](C)O ZINC000639481333 356296597 /nfs/dbraw/zinc/29/65/97/356296597.db2.gz AISJHUWMJUQYAC-NSHDSACASA-N 2 0 225.336 1.054 20 0 BDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420283602 192200477 /nfs/dbraw/zinc/20/04/77/192200477.db2.gz CHMLUMYJPJWNSA-ZIAGYGMSSA-N 3 0 241.423 1.681 20 0 BDADRP C[NH2+]CC1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420301428 192207184 /nfs/dbraw/zinc/20/71/84/192207184.db2.gz VYAVFHHZXXWDJC-ZDUSSCGKSA-N 3 0 239.407 1.308 20 0 BDADRP CCc1noc(C)c1CN(C)C1CC([NH3+])C1 ZINC000420329979 192214624 /nfs/dbraw/zinc/21/46/24/192214624.db2.gz KPKFPXXUILKVLE-UHFFFAOYSA-N 2 0 223.320 1.467 20 0 BDADRP CN(CCC[NH+]1CCCCC1)C1(C[NH3+])CCC1 ZINC000420338891 192216553 /nfs/dbraw/zinc/21/65/53/192216553.db2.gz YGPFDIPPFIZMIP-UHFFFAOYSA-N 2 0 239.407 1.676 20 0 BDADRP CC[C@H]1Cc2ccccc2C[N@@H+]1CCOCC[NH3+] ZINC000420353233 192217042 /nfs/dbraw/zinc/21/70/42/192217042.db2.gz BLERLNCHJMRJAI-HNNXBMFYSA-N 2 0 248.370 1.799 20 0 BDADRP CCC[C@@H]1CNCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420305427 192208145 /nfs/dbraw/zinc/20/81/45/192208145.db2.gz KFTGTZBKEJZQPU-UONOGXRCSA-N 2 0 239.407 1.450 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC[C@@H]1CCCCO1 ZINC000420308135 192210440 /nfs/dbraw/zinc/21/04/40/192210440.db2.gz CLQPQEHGNOYPGN-UPJWGTAASA-N 2 0 226.364 1.615 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC[C@@H]3CCCCO3)C[C@@H]12 ZINC000420308305 192210457 /nfs/dbraw/zinc/21/04/57/192210457.db2.gz NKHOFJKRHFUSOO-XJFOESAGSA-N 2 0 238.375 1.615 20 0 BDADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420312956 192210892 /nfs/dbraw/zinc/21/08/92/192210892.db2.gz JHWFDLRXPSTUHM-ZIAGYGMSSA-N 3 0 239.407 1.579 20 0 BDADRP CC[N@H+](CCCOC)[C@@H]1CCC[NH2+]CC1 ZINC000420311083 192211137 /nfs/dbraw/zinc/21/11/37/192211137.db2.gz MYYUVJHOHMABBI-GFCCVEGCSA-N 2 0 214.353 1.487 20 0 BDADRP CCCC[N@H+](CCOC)CC[C@@H]1CC[NH2+]C1 ZINC000420308534 192211250 /nfs/dbraw/zinc/21/12/50/192211250.db2.gz SIUZEPWSQHVPGT-ZDUSSCGKSA-N 2 0 228.380 1.735 20 0 BDADRP CC(C)OCC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420357623 192218710 /nfs/dbraw/zinc/21/87/10/192218710.db2.gz DSGVIVXWUZYKTI-CYBMUJFWSA-N 2 0 226.364 1.487 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]CC1 ZINC000420313266 192212292 /nfs/dbraw/zinc/21/22/92/192212292.db2.gz PNBQXAYJQWHUSY-KBPBESRZSA-N 3 0 239.407 1.450 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC000420314801 192212551 /nfs/dbraw/zinc/21/25/51/192212551.db2.gz LLGPKOSZWHXOQP-QWHCGFSZSA-N 2 0 226.364 1.616 20 0 BDADRP c1nc(C2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)c[nH]1 ZINC000420317743 192212577 /nfs/dbraw/zinc/21/25/77/192212577.db2.gz NEDYGQLPCMODES-LBPRGKRZSA-N 2 0 248.374 1.589 20 0 BDADRP CC(C)[C@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000420370119 192227026 /nfs/dbraw/zinc/22/70/26/192227026.db2.gz YLWFBXLAKBPDSI-QWHCGFSZSA-N 2 0 226.364 1.343 20 0 BDADRP C[N@H+](CC[C@@H]1CCCCO1)C1CC([NH3+])C1 ZINC000420322648 192227219 /nfs/dbraw/zinc/22/72/19/192227219.db2.gz AQJMXBSRCCBTHL-MCIGGMRASA-N 2 0 212.337 1.367 20 0 BDADRP C(C[N@@H+]1CCOC[C@@H]1C1CC1)[C@@H]1CC[NH2+]C1 ZINC000420370272 192227728 /nfs/dbraw/zinc/22/77/28/192227728.db2.gz YVVOSYSSFMQHAY-WCQYABFASA-N 2 0 224.348 1.097 20 0 BDADRP CC(C)[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000420370122 192227858 /nfs/dbraw/zinc/22/78/58/192227858.db2.gz YLWFBXLAKBPDSI-STQMWFEESA-N 2 0 226.364 1.343 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)C1(CN)CCC1 ZINC000420327230 192230015 /nfs/dbraw/zinc/23/00/15/192230015.db2.gz LCNHKZRWLFKNCJ-LBPRGKRZSA-N 2 0 225.380 1.189 20 0 BDADRP CC[NH+](CC)CCCN[C@@H](C[NH3+])C(C)(C)C ZINC000420359771 192222528 /nfs/dbraw/zinc/22/25/28/192222528.db2.gz KJSJDLSVXFNHMV-LBPRGKRZSA-N 2 0 229.412 1.681 20 0 BDADRP CCC[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000420361621 192222639 /nfs/dbraw/zinc/22/26/39/192222639.db2.gz NIRMYEGPWGZLFX-ZIAGYGMSSA-N 2 0 240.391 1.877 20 0 BDADRP Cc1ccc([C@H](C)[NH2+]CCOCC[NH3+])cc1C ZINC000420365446 192224212 /nfs/dbraw/zinc/22/42/12/192224212.db2.gz DVTKEECRZJVIPX-ZDUSSCGKSA-N 2 0 236.359 1.929 20 0 BDADRP CCOCC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420387386 192235042 /nfs/dbraw/zinc/23/50/42/192235042.db2.gz WBLNCRGJTSEKGX-GFCCVEGCSA-N 2 0 212.337 1.098 20 0 BDADRP COC1CC([N@H+](C)CCC[NH+]2CCCCC2)C1 ZINC000352202657 134101716 /nfs/dbraw/zinc/10/17/16/134101716.db2.gz LLXZZQCGWAGBMI-UHFFFAOYSA-N 2 0 240.391 1.972 20 0 BDADRP CCCCOCC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420391861 192236807 /nfs/dbraw/zinc/23/68/07/192236807.db2.gz ZHLQTAZZXCSLDL-AWEZNQCLSA-N 2 0 240.391 1.879 20 0 BDADRP CC(C)[C@H]1CCCC[C@H]1[NH2+]CCOCC[NH3+] ZINC000420408184 192239700 /nfs/dbraw/zinc/23/97/00/192239700.db2.gz PDNFJNUXCUAFFP-CHWSQXEVSA-N 2 0 228.380 1.766 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000420413209 192240804 /nfs/dbraw/zinc/24/08/04/192240804.db2.gz SUWUCASPQRCLGQ-HZSPNIEDSA-N 2 0 239.407 1.293 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCCC[C@@H](COC)C1 ZINC000420377153 192231338 /nfs/dbraw/zinc/23/13/38/192231338.db2.gz RRNOPIITGSFEGT-GFCCVEGCSA-N 2 0 214.353 1.344 20 0 BDADRP c1c[nH]c([C@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)n1 ZINC000420376714 192231658 /nfs/dbraw/zinc/23/16/58/192231658.db2.gz QZEZZNFWDSGFKE-VXGBXAGGSA-N 2 0 234.347 1.546 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH+]1C)[C@@H]1CCCOC1 ZINC000352219651 134108701 /nfs/dbraw/zinc/10/87/01/134108701.db2.gz DYPNYUYURQFXKW-QWHCGFSZSA-N 2 0 226.364 1.582 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000420930880 192287712 /nfs/dbraw/zinc/28/77/12/192287712.db2.gz CTYRZQZBXVDJLP-KGLIPLIRSA-N 2 0 242.407 1.669 20 0 BDADRP CN(CC[C@@H]1CCC[N@@H+]1C)C[C@@H]1CCC[NH+]1C ZINC000420993784 192292200 /nfs/dbraw/zinc/29/22/00/192292200.db2.gz BDCJBOCCZPGWDC-KBPBESRZSA-N 2 0 239.407 1.497 20 0 BDADRP C[C@@H]([NH2+]CCN1CCCC1(C)C)[C@@H]1CCOC1 ZINC000449781618 202036287 /nfs/dbraw/zinc/03/62/87/202036287.db2.gz IXPUPUINWFKMND-CHWSQXEVSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H](F)CC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000336198504 134127369 /nfs/dbraw/zinc/12/73/69/134127369.db2.gz SDYGZAHZGMHKSA-NEPJUHHUSA-N 2 0 214.328 1.762 20 0 BDADRP C[C@@H]1C[N@H+](C)CCN1CC[C@H]1CCC[NH+]1C ZINC000336214842 134136129 /nfs/dbraw/zinc/13/61/29/134136129.db2.gz BKSPVNSYWITXMP-CHWSQXEVSA-N 2 0 225.380 1.107 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CCOc1cccc(F)c1 ZINC000422942866 192512120 /nfs/dbraw/zinc/51/21/20/192512120.db2.gz KTGOHNLUYSVKLY-NSHDSACASA-N 2 0 240.322 1.922 20 0 BDADRP CS[C@H](C)C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422937196 192512330 /nfs/dbraw/zinc/51/23/30/192512330.db2.gz NVXICCATPZQWCA-AXFHLTTASA-N 2 0 216.394 1.716 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@H](C(C)C)[C@H](C)[NH3+] ZINC000422899949 192513516 /nfs/dbraw/zinc/51/35/16/192513516.db2.gz INZKNYQZDDFTNG-QJPTWQEYSA-N 2 0 243.395 1.240 20 0 BDADRP CC(C)CC[C@](C)(O)C[NH2+][C@@H](C)CCC[NH3+] ZINC000422975286 192534467 /nfs/dbraw/zinc/53/44/67/192534467.db2.gz GLINKGWPFHEDFJ-STQMWFEESA-N 2 0 230.396 1.891 20 0 BDADRP COc1cccc(CC[NH2+][C@@H]2CCC[C@H]2[NH3+])n1 ZINC000423005927 192535639 /nfs/dbraw/zinc/53/56/39/192535639.db2.gz NPNUPEGYVYVLQJ-VXGBXAGGSA-N 2 0 235.331 1.102 20 0 BDADRP CC[C@H]([NH2+][C@@H](CCC[NH3+])COC)[C@@H]1CCCO1 ZINC000423010439 192538423 /nfs/dbraw/zinc/53/84/23/192538423.db2.gz GHDHIWYTZQFEJC-AVGNSLFASA-N 2 0 244.379 1.288 20 0 BDADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423013771 192540606 /nfs/dbraw/zinc/54/06/06/192540606.db2.gz GRGAIKQMQUPUJV-DDHJBXDOSA-N 2 0 214.353 1.517 20 0 BDADRP CC[C@H]([NH2+][C@H](C)CCC[NH3+])[C@H]1CCCO1 ZINC000423016804 192542067 /nfs/dbraw/zinc/54/20/67/192542067.db2.gz UPBTZZRFAXTNHG-GRYCIOLGSA-N 2 0 214.353 1.661 20 0 BDADRP C[C@H]1C[NH2+]CCN1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000675056445 538478309 /nfs/dbraw/zinc/47/83/09/538478309.db2.gz KGIMMIIHCWSZGP-FUDCBSFHSA-N 2 0 237.391 1.201 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000423117330 192573104 /nfs/dbraw/zinc/57/31/04/192573104.db2.gz UYMZOOLVEWDRPK-OPRDCNLKSA-N 2 0 236.306 1.864 20 0 BDADRP CCC[C@H](C)C(=O)NCC[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423124693 192576837 /nfs/dbraw/zinc/57/68/37/192576837.db2.gz GZXSWHWPLDECNH-SRVKXCTJSA-N 2 0 243.395 1.254 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](CO)C1CC1 ZINC000423141849 192584464 /nfs/dbraw/zinc/58/44/64/192584464.db2.gz RZXXFTOMSNTETG-CMPLNLGQSA-N 2 0 214.353 1.112 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCC[C@H]1F ZINC000423145069 192587187 /nfs/dbraw/zinc/58/71/87/192587187.db2.gz IYMGIZSQADOHFC-AXFHLTTASA-N 2 0 202.317 1.984 20 0 BDADRP COc1ccc(C[N@H+](C)CCC[NH3+])cc1OC ZINC000019834750 356705991 /nfs/dbraw/zinc/70/59/91/356705991.db2.gz XKKKETSWYLVGJA-UHFFFAOYSA-N 2 0 238.331 1.484 20 0 BDADRP CC(C)O[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000423158751 192595585 /nfs/dbraw/zinc/59/55/85/192595585.db2.gz DEQMLASXJPEYSY-LSPKCERGSA-N 2 0 238.375 1.815 20 0 BDADRP C[C@H](CO)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623373573 356884669 /nfs/dbraw/zinc/88/46/69/356884669.db2.gz DIGIYVSWZIKKHW-WDEREUQCSA-N 2 0 214.353 1.077 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CCC[NH2+]1 ZINC000423173580 192608744 /nfs/dbraw/zinc/60/87/44/192608744.db2.gz ZGYOWLUECJAZIS-FPYNETTCSA-N 2 0 208.349 1.905 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)[C@@H]2CCOC2)C1 ZINC000358232308 356863602 /nfs/dbraw/zinc/86/36/02/356863602.db2.gz UXGQAKZVKMDCLU-MGPQQGTHSA-N 2 0 240.391 1.733 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CC2CCOCC2)CC1(C)C ZINC000623387662 356918744 /nfs/dbraw/zinc/91/87/44/356918744.db2.gz OACNCOUQTSQFIF-ZDUSSCGKSA-N 2 0 240.391 1.875 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+]CC2CCOCC2)CC1(C)C ZINC000623387661 356918833 /nfs/dbraw/zinc/91/88/33/356918833.db2.gz OACNCOUQTSQFIF-CYBMUJFWSA-N 2 0 240.391 1.875 20 0 BDADRP COCCCN(C)CC[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000353534621 538750123 /nfs/dbraw/zinc/75/01/23/538750123.db2.gz UGBVPRKSRWPCPN-UONOGXRCSA-N 2 0 242.407 1.979 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)[C@@H](O)C(C)C ZINC000423190927 192618248 /nfs/dbraw/zinc/61/82/48/192618248.db2.gz SERDGWXZLGSZSY-RVMXOQNASA-N 2 0 228.380 1.512 20 0 BDADRP COCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623392675 356986096 /nfs/dbraw/zinc/98/60/96/356986096.db2.gz MBSGZIKGXHNCSV-NWDGAFQWSA-N 2 0 228.380 1.874 20 0 BDADRP CC[N@@H+]1CCCN(CC[C@H]2CCC[NH+]2C)CC1 ZINC000371204374 357033628 /nfs/dbraw/zinc/03/36/28/357033628.db2.gz HKBMXKFMNQTKQR-CQSZACIVSA-N 2 0 239.407 1.498 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CCN(C(C)(C)C)C1=O ZINC000582302003 357039983 /nfs/dbraw/zinc/03/99/83/357039983.db2.gz RDQBJZWKDFDBNB-AXFHLTTASA-N 2 0 241.379 1.101 20 0 BDADRP CC[C@@H]([NH2+]CCN(C)CC)C1CCOCC1 ZINC000390649137 357109483 /nfs/dbraw/zinc/10/94/83/357109483.db2.gz OSAZZZSTGDKVAQ-CYBMUJFWSA-N 2 0 228.380 1.733 20 0 BDADRP CN(C)[C@@]1(C[NH2+]CC2(C)CC2)CCSC1 ZINC000389875081 357058333 /nfs/dbraw/zinc/05/83/33/357058333.db2.gz LFCZVRIZJGKIJZ-GFCCVEGCSA-N 2 0 228.405 1.813 20 0 BDADRP CC1(C)[C@H]([NH2+]C[C@@H]2CCC[NH2+]2)[C@H]2CCCO[C@@H]21 ZINC000423235884 192644098 /nfs/dbraw/zinc/64/40/98/192644098.db2.gz NMHSLUHHIVFHRU-LOWDOPEQSA-N 2 0 238.375 1.532 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cccc(CO)c1 ZINC000423250692 192651110 /nfs/dbraw/zinc/65/11/10/192651110.db2.gz QVAUHHARIFHIJK-QWHCGFSZSA-N 2 0 248.370 1.829 20 0 BDADRP C[C@H](O)CC(C)(C)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000393690312 357293393 /nfs/dbraw/zinc/29/33/93/357293393.db2.gz DZZCQHHAOHEQOC-TUAOUCFPSA-N 2 0 228.380 1.643 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccoc1 ZINC000582481576 357317028 /nfs/dbraw/zinc/31/70/28/357317028.db2.gz VXMUECHRLOLGLA-QWRGUYRKSA-N 2 0 208.305 1.930 20 0 BDADRP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)[C@H](C)O ZINC000582541354 357340699 /nfs/dbraw/zinc/34/06/99/357340699.db2.gz AAUVFJIHPRUIQA-NEPJUHHUSA-N 2 0 228.380 1.467 20 0 BDADRP CO[C@@](C)(C[NH2+]Cc1cnc(C)n1C)C1CC1 ZINC000582616236 357354320 /nfs/dbraw/zinc/35/43/20/357354320.db2.gz FPFYUDVVCIFKGI-ZDUSSCGKSA-N 2 0 237.347 1.633 20 0 BDADRP COC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000583154260 357497584 /nfs/dbraw/zinc/49/75/84/357497584.db2.gz ZWKRXVMZIUGTHO-WHOHXGKFSA-N 2 0 240.347 1.188 20 0 BDADRP CC1(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC000583179641 357503055 /nfs/dbraw/zinc/50/30/55/357503055.db2.gz KJHFOHXATLJLAA-ZDUSSCGKSA-N 2 0 240.391 1.613 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N(CC)CCC[NH+](C)C ZINC000230710857 357572900 /nfs/dbraw/zinc/57/29/00/357572900.db2.gz ACWGOHRNKGFZTI-ZDUSSCGKSA-N 2 0 243.395 1.304 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000230500672 357550806 /nfs/dbraw/zinc/55/08/06/357550806.db2.gz SJMXUIZQXVHHDM-JHJVBQTASA-N 2 0 228.380 1.501 20 0 BDADRP CCC(CC)[C@@H](O)C[NH2+]C1CCC([NH3+])CC1 ZINC000230509263 357551807 /nfs/dbraw/zinc/55/18/07/357551807.db2.gz SUAJOICOLDBCTK-BPCQOVAHSA-N 2 0 228.380 1.643 20 0 BDADRP CC[C@H]1CCC[C@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000397604958 357626032 /nfs/dbraw/zinc/62/60/32/357626032.db2.gz PLWCJSSZKHPSQK-QWHCGFSZSA-N 2 0 240.391 1.611 20 0 BDADRP C[NH+](C)CCCC[NH2+]Cc1cncc(F)c1 ZINC000230939783 357580811 /nfs/dbraw/zinc/58/08/11/357580811.db2.gz UMOQFAHHCCKAKY-UHFFFAOYSA-N 2 0 225.311 1.652 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H](CCO)C(C)(C)C ZINC000231075127 357597269 /nfs/dbraw/zinc/59/72/69/357597269.db2.gz XGMZDUTUWUQZPT-NWDGAFQWSA-N 2 0 246.395 1.127 20 0 BDADRP C[C@]1(O)CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000189067085 357603005 /nfs/dbraw/zinc/60/30/05/357603005.db2.gz RSRORWWPBKZCAA-ZDUSSCGKSA-N 2 0 226.364 1.319 20 0 BDADRP C[C@H](CCO)CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000397730452 357674140 /nfs/dbraw/zinc/67/41/40/357674140.db2.gz PXHNBLRBZCWBFF-QJPTWQEYSA-N 2 0 214.353 1.255 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)C[NH2+]C)C1(C)C ZINC000233766584 357744758 /nfs/dbraw/zinc/74/47/58/357744758.db2.gz YFAOGKGCBDREHY-SDDRHHMPSA-N 2 0 228.380 1.635 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C(=O)N[C@H](C)CCC[NH3+])cc1 ZINC000583262488 357749405 /nfs/dbraw/zinc/74/94/05/357749405.db2.gz GMFUVGONXGDQDT-GHMZBOCLSA-N 2 0 249.358 1.564 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](CO)C1 ZINC000191407802 357769158 /nfs/dbraw/zinc/76/91/58/357769158.db2.gz JKLIPDZKFQKLFC-CYBMUJFWSA-N 2 0 228.380 1.423 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CCCCS1 ZINC000234724656 357820449 /nfs/dbraw/zinc/82/04/49/357820449.db2.gz SIXBLHBZIWBPGY-NEPJUHHUSA-N 2 0 246.420 1.616 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(C)cc1 ZINC000234730063 357823854 /nfs/dbraw/zinc/82/38/54/357823854.db2.gz ZLTRNPMJRCXLRQ-CQSZACIVSA-N 2 0 236.359 1.839 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1C[C@@H](OC)C1(C)C ZINC000234703661 357825926 /nfs/dbraw/zinc/82/59/26/357825926.db2.gz KAIDZUQLSJPNNY-SDDRHHMPSA-N 2 0 244.379 1.143 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccccc1F ZINC000234795682 357828820 /nfs/dbraw/zinc/82/88/20/357828820.db2.gz JGHJHAAEMWXXMP-LBPRGKRZSA-N 2 0 240.322 1.669 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CCOC1CCCC1 ZINC000234784741 357829215 /nfs/dbraw/zinc/82/92/15/357829215.db2.gz YZQOVEWVXGCKMD-LBPRGKRZSA-N 2 0 244.379 1.289 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)C1CCCC1 ZINC000234737504 357834563 /nfs/dbraw/zinc/83/45/63/357834563.db2.gz XSNBFFFRQAUTRQ-WCQYABFASA-N 2 0 228.380 1.909 20 0 BDADRP Cc1c[nH+]ccc1N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000192626391 357840881 /nfs/dbraw/zinc/84/08/81/357840881.db2.gz OOSPFPMQBBHXLV-CYBMUJFWSA-N 2 0 229.327 1.841 20 0 BDADRP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000235589652 357881412 /nfs/dbraw/zinc/88/14/12/357881412.db2.gz VECMBENHEHKVRI-STQMWFEESA-N 2 0 242.407 1.979 20 0 BDADRP COCC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000218640219 357962588 /nfs/dbraw/zinc/96/25/88/357962588.db2.gz BMVLYLSTWRTXSL-CHWSQXEVSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@H]([NH3+])c1ccc(C(=O)NC[C@@H](C)C[NH3+])cc1 ZINC000584468899 357987970 /nfs/dbraw/zinc/98/79/70/357987970.db2.gz YDDXLKOCKSVFKC-UWVGGRQHSA-N 2 0 235.331 1.031 20 0 BDADRP CC(C)C[C@H]([NH3+])c1noc([C@@H](C)[C@H](C)[NH3+])n1 ZINC000584529127 358042067 /nfs/dbraw/zinc/04/20/67/358042067.db2.gz RMDKKZLEHLXXRA-CIUDSAMLSA-N 2 0 226.324 1.566 20 0 BDADRP Cc1ccc(CN2CCC[C@H]2C[NH3+])nc1 ZINC000168798970 134247612 /nfs/dbraw/zinc/24/76/12/134247612.db2.gz MSCYIZJHGUJHPO-LBPRGKRZSA-N 2 0 205.305 1.313 20 0 BDADRP COC[C@H](C)C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000584575576 358084184 /nfs/dbraw/zinc/08/41/84/358084184.db2.gz IIVHLAJBIIIVMD-CHWSQXEVSA-N 2 0 228.380 1.590 20 0 BDADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCCCCO)C1 ZINC000076001869 325325313 /nfs/dbraw/zinc/32/53/13/325325313.db2.gz DALDWTXIWOPNBS-CQSZACIVSA-N 2 0 242.407 1.813 20 0 BDADRP CCCCO[C@@H]1C[C@H]([NH2+]CC2C[NH2+]C2)C1(C)C ZINC000423303921 192693130 /nfs/dbraw/zinc/69/31/30/192693130.db2.gz NEDGFUZMOKWCRU-QWHCGFSZSA-N 2 0 240.391 1.779 20 0 BDADRP CC[C@H](C)NC(=O)CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000222970449 358216480 /nfs/dbraw/zinc/21/64/80/358216480.db2.gz BGKLJHMLLWFNHA-TUAOUCFPSA-N 2 0 241.379 1.151 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000222996208 358217279 /nfs/dbraw/zinc/21/72/79/358217279.db2.gz VVFBDHDORPJARP-XQQFMLRXSA-N 2 0 227.396 1.576 20 0 BDADRP CCc1ccc(C[NH2+]C[C@@H](C)C[NH3+])s1 ZINC000225372999 358240412 /nfs/dbraw/zinc/24/04/12/358240412.db2.gz GJPPQHBFZDEHIG-VIFPVBQESA-N 2 0 212.362 1.995 20 0 BDADRP C[C@H](CO)[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000450736276 202250898 /nfs/dbraw/zinc/25/08/98/202250898.db2.gz FCWLHOYLGMWJQY-GRYCIOLGSA-N 2 0 214.353 1.077 20 0 BDADRP CCCN(CC[NH+](C)C)C(=O)CC[NH2+]C(C)C ZINC000041680314 358334003 /nfs/dbraw/zinc/33/40/03/358334003.db2.gz YSRSVXYPRLSYES-UHFFFAOYSA-N 2 0 243.395 1.175 20 0 BDADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)C[C@H]1CCCCO1 ZINC000252689351 366410549 /nfs/dbraw/zinc/41/05/49/366410549.db2.gz QXNFBJPIFKSNDP-OLZOCXBDSA-N 2 0 228.380 1.861 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CC[NH2+]C2)CCS1 ZINC000252683342 366432957 /nfs/dbraw/zinc/43/29/57/366432957.db2.gz DLLPJZFDHNBJOI-ZJUUUORDSA-N 2 0 200.351 1.033 20 0 BDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000107369852 358438919 /nfs/dbraw/zinc/43/89/19/358438919.db2.gz VZMIMCUYLRWHHV-CQSZACIVSA-N 2 0 239.407 1.354 20 0 BDADRP CN1CCC[C@H]1C[N@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000086189489 358441762 /nfs/dbraw/zinc/44/17/62/358441762.db2.gz AHTJBQPOLWHESW-STQMWFEESA-N 2 0 225.380 1.012 20 0 BDADRP CCN1CCC([N@H+](C)C[C@H](O)C(C)(C)C)CC1 ZINC000044172621 358546089 /nfs/dbraw/zinc/54/60/89/358546089.db2.gz LKZSINRHDJPLJA-ZDUSSCGKSA-N 2 0 242.407 1.810 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]CCn2cccn2)CC1 ZINC000042538622 358525921 /nfs/dbraw/zinc/52/59/21/358525921.db2.gz DJWQNADDDWNUCY-UHFFFAOYSA-N 2 0 236.363 1.346 20 0 BDADRP CC(C)[NH+]1CCC(N[C@H](C)C[NH+](C)C)CC1 ZINC000130160554 358611447 /nfs/dbraw/zinc/61/14/47/358611447.db2.gz SDIMDHGLZMCKOJ-GFCCVEGCSA-N 2 0 227.396 1.399 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCc2ccco2)CC[N@@H+]1C ZINC000129668467 358592502 /nfs/dbraw/zinc/59/25/02/358592502.db2.gz OAWUAXKSRJLLKG-NWDGAFQWSA-N 2 0 222.332 1.894 20 0 BDADRP CCCCOCC[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000049264128 358678589 /nfs/dbraw/zinc/67/85/89/358678589.db2.gz QZZQZFBKCOWWGV-CYBMUJFWSA-N 2 0 228.380 1.735 20 0 BDADRP CC[NH+]1CCC([NH2+]CC2(CCO)CC2)CC1 ZINC000133142190 358746388 /nfs/dbraw/zinc/74/63/88/358746388.db2.gz YFLNSCOZAPUDPH-UHFFFAOYSA-N 2 0 226.364 1.223 20 0 BDADRP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C(C)(C)C ZINC000133309177 358750755 /nfs/dbraw/zinc/75/07/55/358750755.db2.gz CSKIMSCMTGPIBK-RYUDHWBXSA-N 2 0 228.380 1.467 20 0 BDADRP CC[C@H](C)C[NH2+]CCCN1CC[NH+](CC)CC1 ZINC000133527008 358758021 /nfs/dbraw/zinc/75/80/21/358758021.db2.gz UNNGZOAEQAEQGI-AWEZNQCLSA-N 2 0 241.423 1.650 20 0 BDADRP CC1(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)COC1 ZINC000132179364 358709610 /nfs/dbraw/zinc/70/96/10/358709610.db2.gz WPLGYONWEFQHOZ-CHWSQXEVSA-N 2 0 232.327 1.757 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](CCCOCC(F)(F)F)C1 ZINC000050249415 358722209 /nfs/dbraw/zinc/72/22/09/358722209.db2.gz OFEYTMNGBFSPDY-VIFPVBQESA-N 2 0 240.269 1.236 20 0 BDADRP C[C@@H]1C[C@H](C)C[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000219853641 134292217 /nfs/dbraw/zinc/29/22/17/134292217.db2.gz VBRYHUGSDUOQLK-XQQFMLRXSA-N 2 0 210.365 1.964 20 0 BDADRP C[C@H]1OCC[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000133959951 358774085 /nfs/dbraw/zinc/77/40/85/358774085.db2.gz PTUHJZRPYXOAMY-OLZOCXBDSA-N 2 0 226.364 1.629 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@H]1C[C@H]1C ZINC000321875583 259481088 /nfs/dbraw/zinc/48/10/88/259481088.db2.gz IEUJENQGICRGPI-WZRBSPASSA-N 2 0 210.365 1.962 20 0 BDADRP O[C@H](C[NH2+][C@H]1CCCC12CC2)C[NH+]1CCCC1 ZINC000578248322 366470914 /nfs/dbraw/zinc/47/09/14/366470914.db2.gz CIDLRHLNAMYEER-OLZOCXBDSA-N 2 0 238.375 1.365 20 0 BDADRP COCCC[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056521979 358899535 /nfs/dbraw/zinc/89/95/35/358899535.db2.gz OQYZMCCZKBKLIM-UHFFFAOYSA-N 2 0 228.380 1.687 20 0 BDADRP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C1CCCC1 ZINC000070306803 359048517 /nfs/dbraw/zinc/04/85/17/359048517.db2.gz BLAHJVFHMQXHFO-GXTWGEPZSA-N 2 0 240.391 1.611 20 0 BDADRP Cc1c[nH+]ccc1N1CC[NH+](CC(C)(C)O)CC1 ZINC000071382153 359077994 /nfs/dbraw/zinc/07/79/94/359077994.db2.gz BIFATRBNMZANGX-UHFFFAOYSA-N 2 0 249.358 1.283 20 0 BDADRP CCOCC[N@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000247047404 359190187 /nfs/dbraw/zinc/19/01/87/359190187.db2.gz VQBOGSHSWKRVFM-RYUDHWBXSA-N 2 0 214.353 1.437 20 0 BDADRP C[C@@H](C[NH3+])N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423383185 192759024 /nfs/dbraw/zinc/75/90/24/192759024.db2.gz DVBWSCHKIBVOKH-KPXOXKRLSA-N 2 0 205.305 1.068 20 0 BDADRP CC[NH2+][C@H](C)CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423385887 192759351 /nfs/dbraw/zinc/75/93/51/192759351.db2.gz KYPSSECJLDGZCN-HONMWMINSA-N 2 0 233.359 1.719 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)[C@@H](C)O1 ZINC000423436469 192768846 /nfs/dbraw/zinc/76/88/46/192768846.db2.gz ZXPWPCCSLAUGFT-DHGKCCLASA-N 2 0 240.391 1.907 20 0 BDADRP COC[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)C1CC1 ZINC000423436315 192769052 /nfs/dbraw/zinc/76/90/52/192769052.db2.gz LOVZRVNCLVGKPX-BFHYXJOUSA-N 2 0 238.375 1.389 20 0 BDADRP CCn1cc([C@H](C)[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cn1 ZINC000423486126 192791904 /nfs/dbraw/zinc/79/19/04/192791904.db2.gz BNPKNDIFTWQSOT-GMXVVIOVSA-N 2 0 236.363 1.681 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1cccc(CO)c1 ZINC000423496548 192794707 /nfs/dbraw/zinc/79/47/07/192794707.db2.gz WYIUYZLUZMIBOS-HUBLWGQQSA-N 2 0 248.370 1.957 20 0 BDADRP Cc1noc([C@@H](C)NCCc2ccncc2C)n1 ZINC000580427888 359540228 /nfs/dbraw/zinc/54/02/28/359540228.db2.gz TXXHLZGBYOWFRG-SNVBAGLBSA-N 2 0 246.314 1.975 20 0 BDADRP COCCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423540038 192808227 /nfs/dbraw/zinc/80/82/27/192808227.db2.gz JHRFTUREYKOJFS-RFQIPJPRSA-N 2 0 240.391 1.779 20 0 BDADRP CC(C)[C@@H](C(=O)Nc1ccc(C[NH3+])cc1)[C@@H](C)[NH3+] ZINC000423539022 192808313 /nfs/dbraw/zinc/80/83/13/192808313.db2.gz HOHZMXQEBMLQOW-ZWNOBZJWSA-N 2 0 249.358 1.703 20 0 BDADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)[C@@H]1C[C@H]1C ZINC000423541513 192808516 /nfs/dbraw/zinc/80/85/16/192808516.db2.gz SBFBCUIHTXNQSM-NTZNESFSSA-N 2 0 208.349 1.930 20 0 BDADRP CC1(C)[C@@H]2C[N@@H+](CC[C@H]3CC[NH2+]C3)C[C@@H]21 ZINC000379572391 359549219 /nfs/dbraw/zinc/54/92/19/359549219.db2.gz WKGNGTCXQJXORL-UTUOFQBUSA-N 2 0 208.349 1.574 20 0 BDADRP CCC(CC)(C[NH3+])C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000424046511 192855780 /nfs/dbraw/zinc/85/57/80/192855780.db2.gz RJRNVILLDGNINW-GHMZBOCLSA-N 2 0 241.379 1.008 20 0 BDADRP CC[NH2+]CCC[NH2+][C@@H]1C[C@@H](OC)C12CCC2 ZINC000578433832 366566421 /nfs/dbraw/zinc/56/64/21/366566421.db2.gz JJPAHQZOJHAWCE-VXGBXAGGSA-N 2 0 226.364 1.533 20 0 BDADRP CC(C)[NH2+]CCCNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000578504850 366581905 /nfs/dbraw/zinc/58/19/05/366581905.db2.gz VPOQBVVMZDMBTC-RYUDHWBXSA-N 2 0 243.395 1.110 20 0 BDADRP Cc1ccc(CNC2CC[NH+](C)CC2)nc1 ZINC000087782178 359927730 /nfs/dbraw/zinc/92/77/30/359927730.db2.gz OWIHLSFICUSQKQ-UHFFFAOYSA-N 2 0 219.332 1.574 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cccnc1 ZINC000087646149 359922402 /nfs/dbraw/zinc/92/24/02/359922402.db2.gz KCNXCVLFVBDOSV-NEPJUHHUSA-N 2 0 219.332 1.732 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCCCC[NH3+] ZINC000578768400 366645385 /nfs/dbraw/zinc/64/53/85/366645385.db2.gz ZCYHHGGBJWEAJX-GFCCVEGCSA-N 2 0 241.379 1.106 20 0 BDADRP COc1ccccc1OCC[N@H+](C)CCC[NH3+] ZINC000088399590 359953173 /nfs/dbraw/zinc/95/31/73/359953173.db2.gz PVTUJSJXPOIDDD-UHFFFAOYSA-N 2 0 238.331 1.355 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1NCCC[NH+]1CCCC1 ZINC000089140137 359992566 /nfs/dbraw/zinc/99/25/66/359992566.db2.gz RLMMKGXGAVDKTE-KBPBESRZSA-N 2 0 239.407 1.579 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@H](CO)CC2CC2)CC1(C)C ZINC000623472216 360048420 /nfs/dbraw/zinc/04/84/20/360048420.db2.gz ILIUDPLBKDPTTP-STQMWFEESA-N 2 0 240.391 1.610 20 0 BDADRP CC(C)(C)OCCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000309366213 491147563 /nfs/dbraw/zinc/14/75/63/491147563.db2.gz POBKRDLJVIOTRS-RYUDHWBXSA-N 2 0 226.364 1.343 20 0 BDADRP C[C@H]([NH3+])CCC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000430635478 192883031 /nfs/dbraw/zinc/88/30/31/192883031.db2.gz VOLFKJZMQDISHY-QWRGUYRKSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@H](CCO)C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093516828 360255744 /nfs/dbraw/zinc/25/57/44/360255744.db2.gz JUGVEPPFFCIUIB-RDBSUJKOSA-N 2 0 242.407 1.905 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@H](CC)CCO)CC1 ZINC000094949119 360328602 /nfs/dbraw/zinc/32/86/02/360328602.db2.gz ZEZHBGHNTYGAGW-CYBMUJFWSA-N 2 0 242.407 1.859 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414846627 200769578 /nfs/dbraw/zinc/76/95/78/200769578.db2.gz UPTWYSLZRGNFRA-TUAOUCFPSA-N 2 0 212.337 1.143 20 0 BDADRP Cc1cccc(C[NH2+]CC2([NH3+])CCOCC2)c1C ZINC000629389118 361035281 /nfs/dbraw/zinc/03/52/81/361035281.db2.gz YAWSUUOVTZRADX-UHFFFAOYSA-N 2 0 248.370 1.901 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H]1CCC[C@H](C)C1 ZINC000629391979 361041139 /nfs/dbraw/zinc/04/11/39/361041139.db2.gz GVYYXXGXGYLJSQ-RYUDHWBXSA-N 2 0 214.353 1.391 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H](C)Cc1cccs1 ZINC000629391760 361045768 /nfs/dbraw/zinc/04/57/68/361045768.db2.gz CYCACTNSVRUEQK-LLVKDONJSA-N 2 0 242.388 1.505 20 0 BDADRP CCC[NH+]1CCC(N[C@@H]2CC[NH2+][C@H]2CC)CC1 ZINC000629390823 361046079 /nfs/dbraw/zinc/04/60/79/361046079.db2.gz NAMMJMSYDRMSBQ-UONOGXRCSA-N 2 0 239.407 1.591 20 0 BDADRP CC(C)CC[C@@H](C)[NH2+]CCOCCC[NH3+] ZINC000629397897 361048144 /nfs/dbraw/zinc/04/81/44/361048144.db2.gz GDWQMWFATPHVBZ-GFCCVEGCSA-N 2 0 216.369 1.766 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CCOCCC[NH3+])C[C@H]1C ZINC000629398827 361049793 /nfs/dbraw/zinc/04/97/93/361049793.db2.gz ICXPBMGPFQIBES-JHJVBQTASA-N 2 0 228.380 1.766 20 0 BDADRP C[C@H](CC1CCCC1)[NH2+]CCOCCC[NH3+] ZINC000629400316 361050964 /nfs/dbraw/zinc/05/09/64/361050964.db2.gz UALDAHCWTCLPRK-GFCCVEGCSA-N 2 0 228.380 1.910 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@H]1C(C)C ZINC000629404475 361051021 /nfs/dbraw/zinc/05/10/21/361051021.db2.gz OFBZRKSYXQVIFJ-QWHCGFSZSA-N 2 0 228.380 1.637 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CCOCCC[NH3+])[C@H](C)C1 ZINC000629399576 361051120 /nfs/dbraw/zinc/05/11/20/361051120.db2.gz VDQBOFCLLMRNAX-JHJVBQTASA-N 2 0 228.380 1.766 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000629401528 361052144 /nfs/dbraw/zinc/05/21/44/361052144.db2.gz CFXOJYKUBGEAGZ-YNEHKIRRSA-N 2 0 228.380 1.637 20 0 BDADRP [NH3+]C1(C[NH2+][C@H]2CC[C@H]2C2CCC2)CCOCC1 ZINC000629521235 361117771 /nfs/dbraw/zinc/11/77/71/361117771.db2.gz OGSWEJJJOYIOFI-STQMWFEESA-N 2 0 238.375 1.663 20 0 BDADRP [NH3+]C1(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)CCOCC1 ZINC000629521232 361117794 /nfs/dbraw/zinc/11/77/94/361117794.db2.gz OGSWEJJJOYIOFI-CHWSQXEVSA-N 2 0 238.375 1.663 20 0 BDADRP CC[C@@H]([NH2+]CC1([NH3+])CCOCC1)C1CCC1 ZINC000629521004 361117978 /nfs/dbraw/zinc/11/79/78/361117978.db2.gz NRQZDEWTDLBATQ-GFCCVEGCSA-N 2 0 226.364 1.663 20 0 BDADRP [NH3+]C1(C[NH2+][C@@H](C2CC2)C2CCC2)CCOCC1 ZINC000629520986 361118083 /nfs/dbraw/zinc/11/80/83/361118083.db2.gz NNARIFRRWBXGEC-CYBMUJFWSA-N 2 0 238.375 1.663 20 0 BDADRP CCO[C@H](C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1)C1CC1 ZINC000629509369 361103119 /nfs/dbraw/zinc/10/31/19/361103119.db2.gz DKVMSEQDUOPGRR-WCFLWFBJSA-N 2 0 226.364 1.471 20 0 BDADRP CCO[C@H](C[N@@H+]1CC[C@H](C[NH2+]C)C1)C1CC1 ZINC000629509978 361104747 /nfs/dbraw/zinc/10/47/47/361104747.db2.gz DKTQBPIFSMCRTN-DGCLKSJQSA-N 2 0 226.364 1.343 20 0 BDADRP CCO[C@@H](C[N@@H+]1CC[C@@H](C[NH3+])C1)C1CC1 ZINC000629511914 361106247 /nfs/dbraw/zinc/10/62/47/361106247.db2.gz NJZRRDMHNVEJAS-JQWIXIFHSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CC[C@@H]1CCCOC1 ZINC000629510936 361110305 /nfs/dbraw/zinc/11/03/05/361110305.db2.gz YCDNRPUZTNCHLK-OLZOCXBDSA-N 2 0 228.380 1.910 20 0 BDADRP CCO[C@@H](C[NH2+][C@](C)(C[NH3+])C(C)C)C1CC1 ZINC000629516015 361110391 /nfs/dbraw/zinc/11/03/91/361110391.db2.gz YZQPSZSZBAGEIP-QWHCGFSZSA-N 2 0 228.380 1.765 20 0 BDADRP CCC[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])OCC ZINC000629515388 361114293 /nfs/dbraw/zinc/11/42/93/361114293.db2.gz QXLLCWNUXCUWPN-SDDRHHMPSA-N 2 0 216.369 1.907 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCN1CC(F)F ZINC000629520228 361116303 /nfs/dbraw/zinc/11/63/03/361116303.db2.gz UZIYOFAVCNQRQZ-GMTAPVOTSA-N 2 0 247.333 1.185 20 0 BDADRP C[C@H](Cc1ccoc1)[NH2+]CC1([NH3+])CCOCC1 ZINC000629520936 361116622 /nfs/dbraw/zinc/11/66/22/361116622.db2.gz NDMJIHOYISMGRZ-LLVKDONJSA-N 2 0 238.331 1.308 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1CC)[C@@H]1CCOC1 ZINC000629526218 361128406 /nfs/dbraw/zinc/12/84/06/361128406.db2.gz NOIOIADRZVUWIX-MROQNXINSA-N 2 0 226.364 1.532 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)c1c[nH+]ccc1N ZINC000629527831 361134350 /nfs/dbraw/zinc/13/43/50/361134350.db2.gz HDRMHFSJHZTPRJ-TVYUQYBPSA-N 2 0 234.347 1.285 20 0 BDADRP CCO[C@H](C[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1)C1CC1 ZINC000629528446 361136238 /nfs/dbraw/zinc/13/62/38/361136238.db2.gz ZIGPMZLXGJAMBN-KWCYVHTRSA-N 2 0 240.391 1.861 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H](C)c1ccoc1 ZINC000629528593 361137379 /nfs/dbraw/zinc/13/73/79/361137379.db2.gz DKOJYJBMNPFXTH-SNVBAGLBSA-N 2 0 212.293 1.166 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CCc2c1cccc2C ZINC000629528992 361138263 /nfs/dbraw/zinc/13/82/63/361138263.db2.gz OPDFXPMBZZFGJO-OAHLLOKOSA-N 2 0 248.370 1.808 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000629530423 361144480 /nfs/dbraw/zinc/14/44/80/361144480.db2.gz GOWYBDMBBPNPOF-STQMWFEESA-N 2 0 246.370 1.730 20 0 BDADRP CC[C@H]([NH2+]CCOCC[NH2+]C)C1CCCC1 ZINC000629531073 361145687 /nfs/dbraw/zinc/14/56/87/361145687.db2.gz ZGBNNMJYRODKOV-ZDUSSCGKSA-N 2 0 228.380 1.781 20 0 BDADRP CC(C)CC[C@H](CO)[NH2+][C@H](C)CCCC[NH3+] ZINC000629525347 361126179 /nfs/dbraw/zinc/12/61/79/361126179.db2.gz XWWOSZNCVKWUNP-CHWSQXEVSA-N 2 0 230.396 1.891 20 0 BDADRP C[C@@H]1[C@H](C)SCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000158589526 361204924 /nfs/dbraw/zinc/20/49/24/361204924.db2.gz KLYSPFIISZCWLJ-MNOVXSKESA-N 2 0 228.405 1.812 20 0 BDADRP COCCCC[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000158504046 361200149 /nfs/dbraw/zinc/20/01/49/361200149.db2.gz HNQNGJQBXOVTHK-NSHDSACASA-N 2 0 200.326 1.084 20 0 BDADRP CC(=O)C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640533375 361301981 /nfs/dbraw/zinc/30/19/81/361301981.db2.gz GSQIEGVEAOFSCG-UHFFFAOYSA-N 2 0 226.364 1.773 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000622044783 370677477 /nfs/dbraw/zinc/67/74/77/370677477.db2.gz SKIAMXYDJHZFHJ-GXSJLCMTSA-N 2 0 222.336 1.124 20 0 BDADRP CC(C)n1ccc(C[C@@H](C)[NH2+]CC[C@H](C)[NH3+])n1 ZINC000622045297 370678819 /nfs/dbraw/zinc/67/88/19/370678819.db2.gz LMKXQVNMMHKPLW-NWDGAFQWSA-N 2 0 238.379 1.722 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000428939603 201048952 /nfs/dbraw/zinc/04/89/52/201048952.db2.gz ATSIQQASPNAMQM-GVXVVHGQSA-N 2 0 241.379 1.008 20 0 BDADRP COC[C@@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000380253203 366760844 /nfs/dbraw/zinc/76/08/44/366760844.db2.gz PRJKEOUJVZLPTB-UTUOFQBUSA-N 2 0 212.337 1.238 20 0 BDADRP [NH3+]C1(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CCC1 ZINC000333110336 181332432 /nfs/dbraw/zinc/33/24/32/181332432.db2.gz GGWXEDXTMFEEEL-RWMBFGLXSA-N 2 0 237.391 1.378 20 0 BDADRP C[C@H]([NH3+])c1ccc(CNC(=O)C(C)(C)C[NH3+])cc1 ZINC000429504303 201111486 /nfs/dbraw/zinc/11/14/86/201111486.db2.gz LTSKDVDUKTYLNU-JTQLQIEISA-N 2 0 249.358 1.307 20 0 BDADRP [NH3+]CCCOCC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000629536327 361398685 /nfs/dbraw/zinc/39/86/85/361398685.db2.gz GDUMQZTUPUFSDX-CHWSQXEVSA-N 2 0 246.370 1.860 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCOC1CCOCC1 ZINC000629535984 361398854 /nfs/dbraw/zinc/39/88/54/361398854.db2.gz DVIZMODPNNHLRD-CHWSQXEVSA-N 2 0 242.363 1.042 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)CCC[NH3+])c1 ZINC000579351768 366767124 /nfs/dbraw/zinc/76/71/24/366767124.db2.gz HTLPNBDRZQTLKJ-UHFFFAOYSA-N 2 0 221.304 1.083 20 0 BDADRP [NH3+]CCCOCC[NH2+][C@H](C1CC1)C1CCCC1 ZINC000629538513 361403534 /nfs/dbraw/zinc/40/35/34/361403534.db2.gz NLFRYDRCGHVXQM-AWEZNQCLSA-N 2 0 240.391 1.910 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(C)(C)C[NH3+])cc1 ZINC000429551108 201115463 /nfs/dbraw/zinc/11/54/63/201115463.db2.gz ZPKVGYNUFJBTII-SECBINFHSA-N 2 0 235.331 1.630 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCCc2occc21 ZINC000629543574 361411483 /nfs/dbraw/zinc/41/14/83/361411483.db2.gz DEOPTLWNEGLJJS-MVWJERBFSA-N 2 0 220.316 1.997 20 0 BDADRP CCO[C@H]1C[C@@H](N[C@@H]2CC[NH2+][C@H]2C)C1(C)C ZINC000629543534 361411743 /nfs/dbraw/zinc/41/17/43/361411743.db2.gz BHJDSNKUZWQSHZ-QCNOEVLYSA-N 2 0 226.364 1.530 20 0 BDADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccoc1 ZINC000629535824 361411996 /nfs/dbraw/zinc/41/19/96/361411996.db2.gz FJVCUTVWOAIKBF-SNVBAGLBSA-N 2 0 212.293 1.296 20 0 BDADRP [NH3+]CCCOCC[NH2+][C@@H]1CCC12CCCC2 ZINC000629540465 361414011 /nfs/dbraw/zinc/41/40/11/361414011.db2.gz UWDVJKKCYPMOPG-GFCCVEGCSA-N 2 0 226.364 1.664 20 0 BDADRP C[C@H]([NH2+]CCOCCC[NH3+])[C@@H]1CC1(C)C ZINC000629534494 361407271 /nfs/dbraw/zinc/40/72/71/361407271.db2.gz ADXPHZCUSVSZKE-QWRGUYRKSA-N 2 0 214.353 1.376 20 0 BDADRP CCO[C@H](C[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1)C1CC1 ZINC000629545846 361426920 /nfs/dbraw/zinc/42/69/20/361426920.db2.gz AEDKFTGXJNPMPD-BFHYXJOUSA-N 2 0 238.375 1.615 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc[nH]c1=O ZINC000629546802 361429595 /nfs/dbraw/zinc/42/95/95/361429595.db2.gz PWUZVQIWDKUCSX-ZYHUDNBSSA-N 2 0 235.331 1.265 20 0 BDADRP CC[C@H](N[C@H]1CO[C@H](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000629547098 361430589 /nfs/dbraw/zinc/43/05/89/361430589.db2.gz JJMHWEGRRUUNEJ-RFGFWPKPSA-N 2 0 238.375 1.674 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CO[C@H](C3CC3)C2)C1 ZINC000629548649 361434719 /nfs/dbraw/zinc/43/47/19/361434719.db2.gz OLFZUHWARZYFAK-XQHKEYJVSA-N 2 0 224.348 1.413 20 0 BDADRP CN(CC[NH2+]C1CCC(C[NH3+])CC1)CC(F)F ZINC000629554689 361435485 /nfs/dbraw/zinc/43/54/85/361435485.db2.gz NILGLGNMFBRRKW-UHFFFAOYSA-N 2 0 249.349 1.290 20 0 BDADRP c1ccc([C@H]2C[C@@H](N[C@@H]3CC[NH2+]C3)CC[NH2+]2)cc1 ZINC000629553943 361440423 /nfs/dbraw/zinc/44/04/23/361440423.db2.gz FCHCIFNJKAQSEM-RRFJBIMHSA-N 2 0 245.370 1.431 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000629550054 361443230 /nfs/dbraw/zinc/44/32/30/361443230.db2.gz XIDUDZQARNAHAI-FSZOTQKASA-N 2 0 212.337 1.269 20 0 BDADRP CCO[C@@H](C[NH2+][C@@H]1CCCC[C@H]1[NH3+])C1CC1 ZINC000629541310 361416745 /nfs/dbraw/zinc/41/67/45/361416745.db2.gz ZBKDVSOOLICHQE-UPJWGTAASA-N 2 0 226.364 1.661 20 0 BDADRP C[C@H]([NH2+]CCOCCC[NH3+])c1cccs1 ZINC000629541766 361416812 /nfs/dbraw/zinc/41/68/12/361416812.db2.gz VMMDCDQPFHVDDG-JTQLQIEISA-N 2 0 228.361 1.764 20 0 BDADRP CCO[C@@H](C[NH+]1CCC2(CC[NH2+]2)CC1)C1CC1 ZINC000629542543 361419210 /nfs/dbraw/zinc/41/92/10/361419210.db2.gz FNZXWOCBCMEHPC-ZDUSSCGKSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1cccc(F)c1 ZINC000629542436 361419521 /nfs/dbraw/zinc/41/95/21/361419521.db2.gz ZIVARGYCQOWRBC-LLVKDONJSA-N 2 0 240.322 1.842 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)CCC1CCC1 ZINC000629572441 361463675 /nfs/dbraw/zinc/46/36/75/361463675.db2.gz SOVNSXLTZOIOAK-UHFFFAOYSA-N 2 0 214.353 1.344 20 0 BDADRP C[N@H+](CCCC1CCC1)CCOCC[NH3+] ZINC000629580414 361466490 /nfs/dbraw/zinc/46/64/90/361466490.db2.gz BIKVPDRJGGSJKC-UHFFFAOYSA-N 2 0 214.353 1.474 20 0 BDADRP C[NH2+]CCC1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000070189654 361478040 /nfs/dbraw/zinc/47/80/40/361478040.db2.gz MUARGQRRPSCEOH-CQSZACIVSA-N 2 0 240.391 1.877 20 0 BDADRP C([C@H]1CCCCO1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000381557867 361481164 /nfs/dbraw/zinc/48/11/64/361481164.db2.gz PHGZNWWOVUBMQN-XQQFMLRXSA-N 2 0 224.348 1.239 20 0 BDADRP CC[N@H+](CCN)CCCC1CC[NH2+]CC1 ZINC000629557878 361451294 /nfs/dbraw/zinc/45/12/94/361451294.db2.gz HSXACKXRQZWPPI-UHFFFAOYSA-N 2 0 213.369 1.047 20 0 BDADRP Cn1ccc(C[NH+]2CCC(C)([NH3+])CC2)c1 ZINC000629647040 361535602 /nfs/dbraw/zinc/53/56/02/361535602.db2.gz KGVYMFBWWVVHMB-UHFFFAOYSA-N 2 0 207.321 1.338 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1NC[C@@H]([NH3+])CC(C)C ZINC000629654892 361558711 /nfs/dbraw/zinc/55/87/11/361558711.db2.gz UBBMRLCNBGEGHL-SDDRHHMPSA-N 2 0 213.369 1.090 20 0 BDADRP CCOCC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152385717 201198500 /nfs/dbraw/zinc/19/85/00/201198500.db2.gz WJTAPPBHHICBLC-LBPRGKRZSA-N 2 0 214.353 1.297 20 0 BDADRP CS[C@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000448545870 201199360 /nfs/dbraw/zinc/19/93/60/201199360.db2.gz NWQWRBHOJPNUGX-RYUDHWBXSA-N 2 0 228.405 1.908 20 0 BDADRP CC(C)OCC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152397183 201199464 /nfs/dbraw/zinc/19/94/64/201199464.db2.gz USTGTXPBCKNWGD-CYBMUJFWSA-N 2 0 228.380 1.685 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](CC2=CCCOC2)C[C@H]1C[NH3+] ZINC000629648516 361540439 /nfs/dbraw/zinc/54/04/39/361540439.db2.gz QAGRBFPZLNJKRV-MBNYWOFBSA-N 2 0 238.375 1.638 20 0 BDADRP C1=C(C[NH2+][C@@H]2CC23CC[NH2+]CC3)COCC1 ZINC000629648883 361541661 /nfs/dbraw/zinc/54/16/61/361541661.db2.gz BMJDVQICGNLTCY-GFCCVEGCSA-N 2 0 222.332 1.065 20 0 BDADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]CC2=CCCOC2)C1 ZINC000629649073 361543274 /nfs/dbraw/zinc/54/32/74/361543274.db2.gz HAOSLXIGHRJLAQ-PWSUYJOCSA-N 2 0 210.321 1.050 20 0 BDADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]CC2=CCCOC2)CC1 ZINC000629649491 361544856 /nfs/dbraw/zinc/54/48/56/361544856.db2.gz TWADCAYAGSOQEP-JOCQHMNTSA-N 2 0 238.375 1.688 20 0 BDADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccn(C)c1 ZINC000629649706 361546091 /nfs/dbraw/zinc/54/60/91/361546091.db2.gz ZZAFQSZVPFAVBL-JQWIXIFHSA-N 2 0 207.321 1.113 20 0 BDADRP C[C@@H]1CCC[N@H+](CC2=CCCOC2)[C@@H]1CC[NH3+] ZINC000629650556 361547914 /nfs/dbraw/zinc/54/79/14/361547914.db2.gz VYTGZDOGCHKYDS-TZMCWYRMSA-N 2 0 238.375 1.782 20 0 BDADRP CCOCC[N@H+](C)C1CCN(CC)CC1 ZINC000152134028 201190260 /nfs/dbraw/zinc/19/02/60/201190260.db2.gz HOFSTNPHVIKGID-UHFFFAOYSA-N 2 0 214.353 1.439 20 0 BDADRP COC1(C[NH2+]CC2([NH3+])CCOCC2)CCCC1 ZINC000629654156 361554121 /nfs/dbraw/zinc/55/41/21/361554121.db2.gz MTGABJATVJILCE-UHFFFAOYSA-N 2 0 242.363 1.043 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC3=CCCOC3)C[C@@H]21 ZINC000629646702 361532353 /nfs/dbraw/zinc/53/23/53/361532353.db2.gz CHBGIHXVFWPJEL-HZSPNIEDSA-N 2 0 236.359 1.392 20 0 BDADRP CC1([NH2+]CCC[NH3+])CCC(F)(F)CC1 ZINC000629651357 361556008 /nfs/dbraw/zinc/55/60/08/361556008.db2.gz PLZRWADXXCUYAL-UHFFFAOYSA-N 2 0 206.280 1.893 20 0 BDADRP C[C@@H]1[C@H](O)CCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000448549109 201214800 /nfs/dbraw/zinc/21/48/00/201214800.db2.gz XABXSVSPFBUMQA-JHJVBQTASA-N 2 0 226.364 1.316 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C1(C(C)C)CC1 ZINC000448552544 201244384 /nfs/dbraw/zinc/24/43/84/201244384.db2.gz HFTUQCPFMWTSLW-NSHDSACASA-N 2 0 214.353 1.519 20 0 BDADRP CC[C@@H](C)[C@@H](C)[NH2+]CCC[N@H+](C)CCOC ZINC000153730530 201247359 /nfs/dbraw/zinc/24/73/59/201247359.db2.gz HPJDMHYVFBPBOM-CHWSQXEVSA-N 2 0 230.396 1.979 20 0 BDADRP C[C@H]([NH3+])Cc1ccc(C2=CC[NH2+]CC2)cc1 ZINC000629722494 361662472 /nfs/dbraw/zinc/66/24/72/361662472.db2.gz BBTBDHVESZHKCM-NSHDSACASA-N 2 0 216.328 1.953 20 0 BDADRP CC(C)OCC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000134097605 491162002 /nfs/dbraw/zinc/16/20/02/491162002.db2.gz CWBGBTJRGSQOTH-GFCCVEGCSA-N 2 0 228.380 1.731 20 0 BDADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2O)CC1 ZINC000631741137 364545367 /nfs/dbraw/zinc/54/53/67/364545367.db2.gz ZRGCCDNNTFUYED-STQMWFEESA-N 2 0 240.391 1.752 20 0 BDADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cn[nH]c1 ZINC000453398691 202760456 /nfs/dbraw/zinc/76/04/56/202760456.db2.gz KTDFWLSGRRZBJG-LLVKDONJSA-N 2 0 236.363 1.935 20 0 BDADRP C[C@H](O)CC(C)(C)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246513775 364599386 /nfs/dbraw/zinc/59/93/86/364599386.db2.gz UGUWOWOPXXZSDW-AGIUHOORSA-N 2 0 242.407 1.856 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H](C)[C@@H](C)O)CC1 ZINC000087129165 364751888 /nfs/dbraw/zinc/75/18/88/364751888.db2.gz JSQRYDAXQQFAJG-WDEREUQCSA-N 2 0 214.353 1.077 20 0 BDADRP C[C@@H]1CC[C@H](N[C@H]2CC[N@H+](C)[C@H](C)C2)C[NH2+]1 ZINC000399080707 364782104 /nfs/dbraw/zinc/78/21/04/364782104.db2.gz RRZGPSISTSJJBD-NDBYEHHHSA-N 2 0 225.380 1.199 20 0 BDADRP O[C@@H]1CCCC[C@H]1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000328317584 364826851 /nfs/dbraw/zinc/82/68/51/364826851.db2.gz CVZLSHZRIXVGMF-BFHYXJOUSA-N 2 0 238.375 1.223 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000573567983 364863976 /nfs/dbraw/zinc/86/39/76/364863976.db2.gz SOSFTRCOQOBBOQ-COPLHBTASA-N 2 0 249.358 1.103 20 0 BDADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCS[C@@H](C(C)C)C1 ZINC000573570872 364864452 /nfs/dbraw/zinc/86/44/52/364864452.db2.gz NGGRZGOCPKHKIK-NEPJUHHUSA-N 2 0 246.420 1.030 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@](C)(CC)C1 ZINC000573574294 364866117 /nfs/dbraw/zinc/86/61/17/364866117.db2.gz QXCKUYGKNICCPR-ZIAGYGMSSA-N 2 0 242.407 1.811 20 0 BDADRP C[NH2+]Cc1ccccc1NC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000573723928 364902254 /nfs/dbraw/zinc/90/22/54/364902254.db2.gz HGZOSLYYLOVMKU-CMPLNLGQSA-N 2 0 247.342 1.343 20 0 BDADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccnn1C ZINC000573921374 364946601 /nfs/dbraw/zinc/94/66/01/364946601.db2.gz VMQNSRFXMPELTR-NSHDSACASA-N 2 0 244.342 1.730 20 0 BDADRP [NH3+]CCCC[NH2+]Cc1cccc2c1OCCO2 ZINC000037715330 181377917 /nfs/dbraw/zinc/37/79/17/181377917.db2.gz QMCZZDBDGJXXIL-UHFFFAOYSA-N 2 0 236.315 1.286 20 0 BDADRP [NH3+]C1(CNCc2ccc3c(c2)C[NH2+]CC3)CCC1 ZINC000574164122 364999657 /nfs/dbraw/zinc/99/96/57/364999657.db2.gz HPDIDIKOZDTGDJ-UHFFFAOYSA-N 2 0 245.370 1.303 20 0 BDADRP C[C@H](CCC[NH3+])NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000574451798 365064768 /nfs/dbraw/zinc/06/47/68/365064768.db2.gz MZSZPTDKNATGPL-WOPDTQHZSA-N 2 0 241.379 1.138 20 0 BDADRP [NH3+]CCN1CC[NH+](C2CCCCCC2)CC1 ZINC000049820246 181391682 /nfs/dbraw/zinc/39/16/82/181391682.db2.gz NATSWMYXWCDNIJ-UHFFFAOYSA-N 2 0 225.380 1.286 20 0 BDADRP O[C@H]1CCCC[C@H]1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000574643919 365110243 /nfs/dbraw/zinc/11/02/43/365110243.db2.gz CQXATUXQYCLENY-STQMWFEESA-N 2 0 238.375 1.365 20 0 BDADRP CC[C@H](C(=O)N(C)CC[NH+](C)C)[NH+](CC)CC ZINC000443222603 193015813 /nfs/dbraw/zinc/01/58/13/193015813.db2.gz LHIZQCOOMFJYBL-GFCCVEGCSA-N 2 0 243.395 1.127 20 0 BDADRP C[NH+](C)CCN1CCC([NH2+]CC2(C)CC2)CC1 ZINC000575062807 365184290 /nfs/dbraw/zinc/18/42/90/365184290.db2.gz ZQEPPCXMQFLRDW-UHFFFAOYSA-N 2 0 239.407 1.402 20 0 BDADRP CC(C)[C@H](O)C1(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000575071799 365188589 /nfs/dbraw/zinc/18/85/89/365188589.db2.gz HQHTYQKNDDHBSS-AVGNSLFASA-N 2 0 240.391 1.643 20 0 BDADRP C[C@H](O)[C@H](C)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000575117114 365207368 /nfs/dbraw/zinc/20/73/68/365207368.db2.gz ZZUHPZZEQBCOOG-KBPBESRZSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@@H](C[NH2+]C(C1CC1)C1CC1)C[NH+](C)C ZINC000379778688 365249610 /nfs/dbraw/zinc/24/96/10/365249610.db2.gz FBWPSICEQGXCFS-JTQLQIEISA-N 2 0 210.365 1.962 20 0 BDADRP CCCC[N@H+](CCCO)CC[C@@H]1CCC[NH+]1C ZINC000182165337 366871961 /nfs/dbraw/zinc/87/19/61/366871961.db2.gz RTFMKTIPWJRMFB-AWEZNQCLSA-N 2 0 242.407 1.955 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](CCCc2ccncc2)C1 ZINC000579713021 366989371 /nfs/dbraw/zinc/98/93/71/366989371.db2.gz WBRBRQQEZOFLIT-AWEZNQCLSA-N 2 0 233.359 1.556 20 0 BDADRP COCC1(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000579953478 367099756 /nfs/dbraw/zinc/09/97/56/367099756.db2.gz ICHGCNSECOECJV-FUNVUKJBSA-N 2 0 238.375 1.676 20 0 BDADRP [NH3+]CCCCC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000580941775 367211339 /nfs/dbraw/zinc/21/13/39/367211339.db2.gz RAVJROXSQPJJCV-LBPRGKRZSA-N 2 0 241.379 1.139 20 0 BDADRP CC[NH2+]CCC[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000581125274 367269643 /nfs/dbraw/zinc/26/96/43/367269643.db2.gz FHVHUXHKTLHIKD-XQQFMLRXSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)[C@@H](C)O1 ZINC000581251769 367309622 /nfs/dbraw/zinc/30/96/22/367309622.db2.gz LSRJLDHHLFJMKH-GYSYKLTISA-N 2 0 234.343 1.801 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+]CC[C@@H]2CCOC2)C1 ZINC000381621812 367440807 /nfs/dbraw/zinc/44/08/07/367440807.db2.gz AIGYYHWMVNLGCD-CHWSQXEVSA-N 2 0 226.364 1.344 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NCCC[NH2+]C1CC1 ZINC000382562847 367541377 /nfs/dbraw/zinc/54/13/77/367541377.db2.gz YRDKYXFCCKRFGY-YPMHNXCESA-N 2 0 225.380 1.058 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1NCCC[NH2+]C1CC1 ZINC000382562841 367541458 /nfs/dbraw/zinc/54/14/58/367541458.db2.gz YRDKYXFCCKRFGY-AAEUAGOBSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCC[NH2+]C2CC2)[C@H](C)O1 ZINC000382577967 367544079 /nfs/dbraw/zinc/54/40/79/367544079.db2.gz CLNAGVNMCMLRTP-JFGNBEQYSA-N 2 0 212.337 1.284 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000383248442 367608981 /nfs/dbraw/zinc/60/89/81/367608981.db2.gz WBMOZCKPTUJRBD-ZJUUUORDSA-N 2 0 218.291 1.749 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccccc2CO)C1 ZINC000581677687 367705596 /nfs/dbraw/zinc/70/55/96/367705596.db2.gz JWUZXAQMRWJXCC-UONOGXRCSA-N 2 0 234.343 1.538 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)[C@@H](C)O1 ZINC000384527850 367697522 /nfs/dbraw/zinc/69/75/22/367697522.db2.gz CDNIQSNFKVJMFE-NDBYEHHHSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)[C@H](C)O1 ZINC000384527854 367698075 /nfs/dbraw/zinc/69/80/75/367698075.db2.gz CDNIQSNFKVJMFE-XQHKEYJVSA-N 2 0 226.364 1.484 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]C[C@H](C)CCCO)CC1 ZINC000384551703 367698806 /nfs/dbraw/zinc/69/88/06/367698806.db2.gz IHYDGFTXOGZHSF-CYBMUJFWSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000384877068 367748542 /nfs/dbraw/zinc/74/85/42/367748542.db2.gz PUOQRUZWLOASBQ-GMTAPVOTSA-N 2 0 214.353 1.395 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@@H](C)O1 ZINC000385141626 367801376 /nfs/dbraw/zinc/80/13/76/367801376.db2.gz MCMYBBJUXQJKEO-NCXFDQOBSA-N 2 0 238.375 1.767 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCOC1)[C@@H]1CCCC[NH2+]1 ZINC000386091898 367911418 /nfs/dbraw/zinc/91/14/18/367911418.db2.gz IGVNRCQBDQLONM-SRVKXCTJSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCOC1)[C@H]1CCCC[NH2+]1 ZINC000386104478 367912551 /nfs/dbraw/zinc/91/25/51/367912551.db2.gz KISCTQCXYBDGDA-RWMBFGLXSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000385999323 367896002 /nfs/dbraw/zinc/89/60/02/367896002.db2.gz KIZAVDJXCZAMKT-XJFOESAGSA-N 2 0 239.407 1.589 20 0 BDADRP C[C@H]1CC[C@H](NC2CC[NH+](C3CC3)CC2)C[NH2+]1 ZINC000399192898 367897414 /nfs/dbraw/zinc/89/74/14/367897414.db2.gz QRJVCCLGOBOMHZ-AAEUAGOBSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@@H]([NH2+]CC1(CO)CCCC1)[C@@H]1CCCC[NH2+]1 ZINC000386020741 367898727 /nfs/dbraw/zinc/89/87/27/367898727.db2.gz OOYPNPBALUSPCC-OLZOCXBDSA-N 2 0 240.391 1.659 20 0 BDADRP C[C@H]([NH2+]CCC(C)(C)CO)[C@@H]1CCCC[NH2+]1 ZINC000386025814 367899130 /nfs/dbraw/zinc/89/91/30/367899130.db2.gz PQXKGOKQOMLSHG-RYUDHWBXSA-N 2 0 228.380 1.515 20 0 BDADRP COCCCC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386604854 368000415 /nfs/dbraw/zinc/00/04/15/368000415.db2.gz VOYMHULCXJDBPU-NEPJUHHUSA-N 2 0 214.353 1.533 20 0 BDADRP COCC1(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)CCC1 ZINC000386376465 367958860 /nfs/dbraw/zinc/95/88/60/367958860.db2.gz CGELLNHAKPLXEV-QWHCGFSZSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12)[C@@H]1CCC[NH2+]C1 ZINC000581997173 368098632 /nfs/dbraw/zinc/09/86/32/368098632.db2.gz FNXQXMHGRHYGOA-VJTDZRGJSA-N 2 0 238.375 1.532 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000252948630 368169949 /nfs/dbraw/zinc/16/99/49/368169949.db2.gz NSJDHYNXWSGIPZ-JHJVBQTASA-N 2 0 228.380 1.730 20 0 BDADRP C[C@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CCS1 ZINC000252980168 368177372 /nfs/dbraw/zinc/17/73/72/368177372.db2.gz LDPMAQJAZRIYLB-WDEREUQCSA-N 2 0 214.378 1.423 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H](CO)CC2CCCC2)C1 ZINC000566571453 326065498 /nfs/dbraw/zinc/06/54/98/326065498.db2.gz BJFGLXYVEDGNDW-MGPQQGTHSA-N 2 0 240.391 1.787 20 0 BDADRP Cc1ccc(C[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000059161698 368529984 /nfs/dbraw/zinc/52/99/84/368529984.db2.gz XATYJWGFLHXQFU-UHFFFAOYSA-N 2 0 248.370 1.541 20 0 BDADRP CC(C)[C@H](CNC1=[NH+]CCCN1)[NH+]1CCCC1 ZINC000066245130 368642143 /nfs/dbraw/zinc/64/21/43/368642143.db2.gz OKFVNSRBXCIJSY-LBPRGKRZSA-N 2 0 238.379 1.046 20 0 BDADRP C[N@@H+]1CCCC[C@H](C[NH2+]CC2(C)COC2)C1 ZINC000623657119 368998144 /nfs/dbraw/zinc/99/81/44/368998144.db2.gz KBUIMCWZGVFGOO-GFCCVEGCSA-N 2 0 226.364 1.344 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)CCO1 ZINC000623657228 368998173 /nfs/dbraw/zinc/99/81/73/368998173.db2.gz LSWQXAYDKFHDEC-HZSPNIEDSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)CO1 ZINC000623657771 368999762 /nfs/dbraw/zinc/99/97/62/368999762.db2.gz YRGAZRNQCVHIRL-HZSPNIEDSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1nccnc1C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000631829100 369004773 /nfs/dbraw/zinc/00/47/73/369004773.db2.gz GYEYMLVSUORCFS-FZMZJTMJSA-N 2 0 248.374 1.734 20 0 BDADRP OCC1([NH2+]C[C@H]2CCC(F)(F)C2)CC[NH2+]CC1 ZINC000631829665 369005918 /nfs/dbraw/zinc/00/59/18/369005918.db2.gz XBGWZNXSGWLQMM-JTQLQIEISA-N 2 0 248.317 1.126 20 0 BDADRP C[NH+](C)CC(C)(C)NCCC[NH+]1CCCCC1 ZINC000459546957 203298250 /nfs/dbraw/zinc/29/82/50/203298250.db2.gz JGDKTPCGBQBTJT-UHFFFAOYSA-N 2 0 241.423 1.792 20 0 BDADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccccn2)C1 ZINC000459729353 203344648 /nfs/dbraw/zinc/34/46/48/203344648.db2.gz JCMYMINLBBUGNC-ZDUSSCGKSA-N 2 0 233.359 1.903 20 0 BDADRP c1[nH+]cn2cc(C[NH2+]C[C@@H]3CCCOC3)ccc12 ZINC000459661135 203332753 /nfs/dbraw/zinc/33/27/53/203332753.db2.gz QGHONJPETUPDJH-ZDUSSCGKSA-N 2 0 245.326 1.851 20 0 BDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)C1CC1 ZINC000165305662 203382708 /nfs/dbraw/zinc/38/27/08/203382708.db2.gz SJQUJMFLEGTENF-VXGBXAGGSA-N 2 0 225.380 1.010 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)CC[C@H]2CCC[NH2+]2)cc1 ZINC000295039643 181484559 /nfs/dbraw/zinc/48/45/59/181484559.db2.gz DTUOKRNRNQETOI-GFCCVEGCSA-N 2 0 247.342 1.616 20 0 BDADRP CCOCC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000309620327 370236129 /nfs/dbraw/zinc/23/61/29/370236129.db2.gz GZABRTAJYZCJKK-GFCCVEGCSA-N 2 0 212.337 1.098 20 0 BDADRP COC[C@H](C)[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000158689360 326337635 /nfs/dbraw/zinc/33/76/35/326337635.db2.gz PBUDYIKSXBVXIW-MCIONIFRSA-N 2 0 242.407 1.979 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C(C)(C)C)C1 ZINC000310429551 370344333 /nfs/dbraw/zinc/34/43/33/370344333.db2.gz SJGSUOZXGQQXHS-STQMWFEESA-N 2 0 242.407 1.667 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C(C)(C)C)C1 ZINC000310429547 370344511 /nfs/dbraw/zinc/34/45/11/370344511.db2.gz SJGSUOZXGQQXHS-OLZOCXBDSA-N 2 0 242.407 1.667 20 0 BDADRP C[C@@H](CCC[NH3+])NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621658310 370415414 /nfs/dbraw/zinc/41/54/14/370415414.db2.gz FABJGXXAHKWVNP-NWDGAFQWSA-N 2 0 241.379 1.010 20 0 BDADRP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccn1 ZINC000621774945 370521781 /nfs/dbraw/zinc/52/17/81/370521781.db2.gz BAISFNJJKZPYQI-KKUMJFAQSA-N 2 0 245.370 1.949 20 0 BDADRP CCn1cc(CC[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cn1 ZINC000621775769 370522665 /nfs/dbraw/zinc/52/26/65/370522665.db2.gz YMPPQEZEXWBRSF-CQSZACIVSA-N 2 0 248.374 1.131 20 0 BDADRP Cc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)ccn1 ZINC000621776587 370525817 /nfs/dbraw/zinc/52/58/17/370525817.db2.gz PQFDCLPQCZJVGG-FZMZJTMJSA-N 2 0 233.359 1.807 20 0 BDADRP [NH3+][C@@]12CCC[C@H]1C[N@H+](CCCCCF)C2 ZINC000621784035 370534525 /nfs/dbraw/zinc/53/45/25/370534525.db2.gz IQQOOCCWWKJPGW-NWDGAFQWSA-N 2 0 214.328 1.939 20 0 BDADRP C[C@H]([NH2+][C@H]1CCn2ccnc2C1)[C@H]1CCCCO1 ZINC000623964252 371201784 /nfs/dbraw/zinc/20/17/84/371201784.db2.gz AZZXYKGAWGEDPX-RWMBFGLXSA-N 2 0 249.358 1.745 20 0 BDADRP C[C@H]([NH2+]CCOCC[NH+](C)C)[C@@H]1CCCCO1 ZINC000623968220 371204007 /nfs/dbraw/zinc/20/40/07/371204007.db2.gz XWKOJMYWFOHJLM-STQMWFEESA-N 2 0 244.379 1.112 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H](O)C1)C1CC[NH+](C)CC1 ZINC000624219539 371408498 /nfs/dbraw/zinc/40/84/98/371408498.db2.gz XGMWSHRDHLPRTR-GMXVVIOVSA-N 2 0 226.364 1.077 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]C[C@H]2C[C@@H](O)C2)CC1 ZINC000624219926 371408571 /nfs/dbraw/zinc/40/85/71/371408571.db2.gz DMJQNUCHKZULAT-BJHJDKERSA-N 2 0 226.364 1.220 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000624309733 371473436 /nfs/dbraw/zinc/47/34/36/371473436.db2.gz WBQHUEFPGDIOBM-NDBYEHHHSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@H](O)C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000230026206 371636109 /nfs/dbraw/zinc/63/61/09/371636109.db2.gz GEWBKWHIINRGGU-LBPRGKRZSA-N 2 0 222.332 1.218 20 0 BDADRP C[C@H](C[S@@](C)=O)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000164488779 372155089 /nfs/dbraw/zinc/15/50/89/372155089.db2.gz CBGNXDQGYRUZIW-GDLVEWKHSA-N 2 0 246.420 1.073 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1C[C@H]1CCO[C@H]1C ZINC000631822908 372600834 /nfs/dbraw/zinc/60/08/34/372600834.db2.gz RPWTXTPAHAUKMR-NOOOWODRSA-N 2 0 212.337 1.081 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000631823364 372600191 /nfs/dbraw/zinc/60/01/91/372600191.db2.gz CKJNWRULJVDYQC-NDKCEZKHSA-N 2 0 238.375 1.471 20 0 BDADRP N[C@H]1CCCCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000631831648 372616724 /nfs/dbraw/zinc/61/67/24/372616724.db2.gz LAUGAPAFCZCNQA-ZDUSSCGKSA-N 2 0 225.380 1.189 20 0 BDADRP N[C@H]1CCCCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000631834874 372620208 /nfs/dbraw/zinc/62/02/08/372620208.db2.gz HOHUINMVUGPJPS-KBPBESRZSA-N 2 0 239.407 1.579 20 0 BDADRP C[C@@H]1CN(CCC[NH+]2CCCCC2)C[C@H]1C[NH3+] ZINC000631838271 372631187 /nfs/dbraw/zinc/63/11/87/372631187.db2.gz LIUJMOWURSBIFE-ZIAGYGMSSA-N 2 0 239.407 1.389 20 0 BDADRP C(C[C@@H]1CCCO1)[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631866873 372668239 /nfs/dbraw/zinc/66/82/39/372668239.db2.gz BEABSICALBDIKO-AGIUHOORSA-N 2 0 224.348 1.287 20 0 BDADRP C(C[C@@H]1CCC[NH2+]C1)[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631868181 372671185 /nfs/dbraw/zinc/67/11/85/372671185.db2.gz ZQNHSPLMNSITMJ-MJBXVCDLSA-N 3 0 237.391 1.108 20 0 BDADRP C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)OCC1CC1 ZINC000631887974 372681965 /nfs/dbraw/zinc/68/19/65/372681965.db2.gz SEDAOKMUSBNYQD-UONOGXRCSA-N 2 0 238.375 1.487 20 0 BDADRP [NH3+]C[C@@H]1Cc2ccccc2N(C[C@H]2CC[NH2+]C2)C1 ZINC000631892508 372688860 /nfs/dbraw/zinc/68/88/60/372688860.db2.gz KZYRDNREKBZXNH-STQMWFEESA-N 2 0 245.370 1.234 20 0 BDADRP C[C@H]1C[N@H+](CC2=CCCOC2)CC[C@H]1[NH3+] ZINC000379754778 373055670 /nfs/dbraw/zinc/05/56/70/373055670.db2.gz SUXOGWRBNMGPCR-CMPLNLGQSA-N 2 0 210.321 1.002 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]C[C@H]2CC[C@H](O)C2)CC1 ZINC000189282769 205857689 /nfs/dbraw/zinc/85/76/89/205857689.db2.gz BFTSVEHFKNKUDS-JSGCOSHPSA-N 2 0 240.391 1.610 20 0 BDADRP F[C@H](c1nc([C@H]2CCC[NH2+]2)no1)[C@H]1CC[NH2+]C1 ZINC000634556662 374313358 /nfs/dbraw/zinc/31/33/58/374313358.db2.gz AMKVXYSRLRRIDN-YIZRAAEISA-N 2 0 240.282 1.114 20 0 BDADRP C[C@H]1COCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424378097 206039141 /nfs/dbraw/zinc/03/91/41/206039141.db2.gz SBMWTJGLMJHDDA-WHOHXGKFSA-N 2 0 212.337 1.271 20 0 BDADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCC[C@H]1O ZINC000424377937 206040460 /nfs/dbraw/zinc/04/04/60/206040460.db2.gz NDRMWHSMBYMUSQ-ZLKJLUDKSA-N 2 0 249.358 1.413 20 0 BDADRP CCC[C@H](O)C[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000450449630 206103178 /nfs/dbraw/zinc/10/31/78/206103178.db2.gz FRASPVFNMOZFRF-KGLIPLIRSA-N 2 0 242.407 1.811 20 0 BDADRP CCOCCCC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000165112793 206139783 /nfs/dbraw/zinc/13/97/83/206139783.db2.gz HGOGWEQAJWXORT-QWHCGFSZSA-N 2 0 228.380 1.733 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCC[C@H]2O)[C@H](C)C1 ZINC000459601490 206135073 /nfs/dbraw/zinc/13/50/73/206135073.db2.gz XEJNGIGRZMELJT-FDYHWXHSSA-N 2 0 226.364 1.220 20 0 BDADRP O=C(Nc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CCC[NH2+]1 ZINC000261684237 182364093 /nfs/dbraw/zinc/36/40/93/182364093.db2.gz HYJIQZOJAFUUBB-ZDUSSCGKSA-N 2 0 245.326 1.023 20 0 BDADRP CC[C@H](O)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000224589587 259576991 /nfs/dbraw/zinc/57/69/91/259576991.db2.gz QXBIWPIMCXRVQO-TUAOUCFPSA-N 2 0 214.353 1.220 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000162779026 169002737 /nfs/dbraw/zinc/00/27/37/169002737.db2.gz SBQQSSZVDAQKTM-VXGBXAGGSA-N 2 0 243.395 1.206 20 0 BDADRP CCCC[C@H](COC)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000336676653 169003681 /nfs/dbraw/zinc/00/36/81/169003681.db2.gz BVTGXGPTCVMQMJ-CHWSQXEVSA-N 2 0 230.396 1.979 20 0 BDADRP CCCCc1nc2cc(NC(=O)C[NH3+])ccc2[nH]1 ZINC000262687571 169027104 /nfs/dbraw/zinc/02/71/04/169027104.db2.gz YKHJCGXYRIXNKF-UHFFFAOYSA-N 2 0 246.314 1.803 20 0 BDADRP CCC[N@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000363594122 169064307 /nfs/dbraw/zinc/06/43/07/169064307.db2.gz WHKKZJPPCUACNK-UHFFFAOYSA-N 2 0 240.391 1.972 20 0 BDADRP CCC[N@H+](C)C[C@H]1CC[NH+](CC[C@@H](C)O)C1 ZINC000336688730 169079212 /nfs/dbraw/zinc/07/92/12/169079212.db2.gz YQXIWZZFPUTYIQ-CHWSQXEVSA-N 2 0 228.380 1.421 20 0 BDADRP Oc1ccc(CC[NH2+]C2CC[NH2+]CC2)cc1 ZINC000040736483 183269046 /nfs/dbraw/zinc/26/90/46/183269046.db2.gz QSUCOZXKQMFPQB-UHFFFAOYSA-N 2 0 220.316 1.276 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H]2CCOC[C@@H]2C)CC1 ZINC000302023716 169189344 /nfs/dbraw/zinc/18/93/44/169189344.db2.gz FTHIIPJWAMPBBR-GXTWGEPZSA-N 2 0 240.391 1.875 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H](C)CC(=O)OC)CC1 ZINC000049555404 169189630 /nfs/dbraw/zinc/18/96/30/169189630.db2.gz DMJVXYOYQKYRKS-NSHDSACASA-N 2 0 242.363 1.402 20 0 BDADRP c1c[nH]c([C@@H]2CCCN(Cc3csnn3)C2)n1 ZINC000271129254 183327384 /nfs/dbraw/zinc/32/73/84/183327384.db2.gz OVBKMUWIVOVAFS-SECBINFHSA-N 2 0 249.343 1.641 20 0 BDADRP CCC[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000369357230 169204298 /nfs/dbraw/zinc/20/42/98/169204298.db2.gz FJPSSABTHMXLHY-ZDUSSCGKSA-N 2 0 225.380 1.108 20 0 BDADRP c1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)ccn1 ZINC000037408310 183349412 /nfs/dbraw/zinc/34/94/12/183349412.db2.gz FBHXAAACZXXVIW-ZDUSSCGKSA-N 2 0 231.343 1.656 20 0 BDADRP CCC[NH2+]CCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC000338226587 169258485 /nfs/dbraw/zinc/25/84/85/169258485.db2.gz IAWWPVPIKVCCQN-GFCCVEGCSA-N 2 0 243.395 1.223 20 0 BDADRP c1[nH+]cn2cc(C[NH2+][C@@H]3CCOC3)ccc12 ZINC000297452295 183376405 /nfs/dbraw/zinc/37/64/05/183376405.db2.gz HFZWHVGWBOXZSI-LLVKDONJSA-N 2 0 217.272 1.213 20 0 BDADRP CCC[C@@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000037482596 169365745 /nfs/dbraw/zinc/36/57/45/169365745.db2.gz WCPKGDAOTKCLPH-GFCCVEGCSA-N 2 0 213.369 1.012 20 0 BDADRP CCC[C@@H]([NH3+])C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000062972766 169387850 /nfs/dbraw/zinc/38/78/50/169387850.db2.gz NAJOLPGTLSIFOY-NWDGAFQWSA-N 2 0 241.379 1.057 20 0 BDADRP CCC[C@@H]([NH3+])C(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000092630159 169386425 /nfs/dbraw/zinc/38/64/25/169386425.db2.gz WIMMSFWAPMHUPL-NWDGAFQWSA-N 2 0 241.379 1.057 20 0 BDADRP CCC[C@@H]([NH3+])C(=O)NC1CC[NH+](CCC)CC1 ZINC000040829714 169389774 /nfs/dbraw/zinc/38/97/74/169389774.db2.gz LXJYTZDWZHCRAK-GFCCVEGCSA-N 2 0 241.379 1.104 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000041680191 169547473 /nfs/dbraw/zinc/54/74/73/169547473.db2.gz ZWEYAFPANNEDCE-AAEUAGOBSA-N 2 0 243.395 1.350 20 0 BDADRP COC[C@H](C)[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000069724535 383841396 /nfs/dbraw/zinc/84/13/96/383841396.db2.gz WBANXAPLUPMFLU-AXFHLTTASA-N 2 0 200.326 1.081 20 0 BDADRP CC[C@H](O)[C@H](CC)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000313090354 383867038 /nfs/dbraw/zinc/86/70/38/383867038.db2.gz ACQLIBKQBBEQLB-CRWXNKLISA-N 2 0 240.391 1.752 20 0 BDADRP CC(C)N(C)C[C@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000309312760 383869348 /nfs/dbraw/zinc/86/93/48/383869348.db2.gz FMRDEDTUDKXRNO-STQMWFEESA-N 2 0 229.412 1.822 20 0 BDADRP CC(C)[C@H](c1nc([C@H]2CCC[NH2+]2)no1)[C@@H](C)[NH3+] ZINC000647144016 383833310 /nfs/dbraw/zinc/83/33/10/383833310.db2.gz JQIBPGJBLBTFQB-BBBLOLIVSA-N 2 0 238.335 1.581 20 0 BDADRP CC(C)[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000037019490 383932017 /nfs/dbraw/zinc/93/20/17/383932017.db2.gz NAAWXWILQUSJQZ-CYBMUJFWSA-N 2 0 249.358 1.670 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H](CC)[C@@H](O)CC)CC1 ZINC000313116989 383900109 /nfs/dbraw/zinc/90/01/09/383900109.db2.gz QVNDYGQQLRRZJD-KGLIPLIRSA-N 2 0 242.407 2.000 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)c2ccccc2)C1 ZINC000113515490 383992867 /nfs/dbraw/zinc/99/28/67/383992867.db2.gz SWHRMLJCYZXOFU-ZFWWWQNUSA-N 2 0 248.370 1.604 20 0 BDADRP CC[C@H](C)[C@](C)(O)C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000305123184 384017702 /nfs/dbraw/zinc/01/77/02/384017702.db2.gz KGHWGXXFLOSPLK-ZOBORPQBSA-N 2 0 242.407 1.713 20 0 BDADRP CO[C@H]1CCC[C@H]([NH2+]CCC[NH2+]C2CC2)C1 ZINC000643545082 384008209 /nfs/dbraw/zinc/00/82/09/384008209.db2.gz LUIYXKVVOJRZCN-STQMWFEESA-N 2 0 226.364 1.676 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000643545295 384012710 /nfs/dbraw/zinc/01/27/10/384012710.db2.gz XCRRHTDUSAMKKE-NEPJUHHUSA-N 2 0 214.353 1.269 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643545781 384014009 /nfs/dbraw/zinc/01/40/09/384014009.db2.gz CGPCTHDVJFXODK-QJPTWQEYSA-N 2 0 226.364 1.674 20 0 BDADRP C[C@H](N[C@H]1CC[NH2+]C2(CCC2)C1)[C@H]1CCC[NH2+]1 ZINC000643547388 384033882 /nfs/dbraw/zinc/03/38/82/384033882.db2.gz DRJBCCQSILELPE-RWMBFGLXSA-N 2 0 237.391 1.391 20 0 BDADRP CC(C)[NH2+]CCc1nc([C@H]2CCC[NH2+]2)no1 ZINC000647156675 384040978 /nfs/dbraw/zinc/04/09/78/384040978.db2.gz LDYYIDSPZIOFMG-SECBINFHSA-N 2 0 224.308 1.035 20 0 BDADRP [NH3+]Cc1ccc(-c2nc([C@@H]3CCC[NH2+]3)no2)o1 ZINC000647156632 384042253 /nfs/dbraw/zinc/04/22/53/384042253.db2.gz JSJLLURBAUGJEX-QMMMGPOBSA-N 2 0 234.259 1.213 20 0 BDADRP Cc1cnn(CC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000235954084 384075701 /nfs/dbraw/zinc/07/57/01/384075701.db2.gz NBDANIIJACYZSB-OLZOCXBDSA-N 2 0 236.363 1.299 20 0 BDADRP CC(C)[NH2+]CCCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000569471706 384096370 /nfs/dbraw/zinc/09/63/70/384096370.db2.gz KTHWDAYZHLPJQW-RYUDHWBXSA-N 2 0 213.369 1.234 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+](CC3(C)CC3)C2)C1 ZINC000560460589 384147430 /nfs/dbraw/zinc/14/74/30/384147430.db2.gz CGJAQDSPGYEVSS-ZDUSSCGKSA-N 2 0 208.349 1.814 20 0 BDADRP C[C@H](CC1CC1)[NH2+]C[C@@H]1CCCN1CCCO ZINC000449388201 384144696 /nfs/dbraw/zinc/14/46/96/384144696.db2.gz ONKNIAZFHGXORV-OCCSQVGLSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@H](C[NH2+][C@H]1CO[C@@H](C)C1)C[NH+]1CCCC1 ZINC000401873372 384185753 /nfs/dbraw/zinc/18/57/53/384185753.db2.gz DAPKGXSNIDGVKA-FRRDWIJNSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)CO1 ZINC000401881365 384212477 /nfs/dbraw/zinc/21/24/77/384212477.db2.gz IDSQHTUEZUIYPT-ZYHUDNBSSA-N 2 0 212.337 1.095 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)CO1 ZINC000401903755 384250825 /nfs/dbraw/zinc/25/08/25/384250825.db2.gz SFBUIIVWPOJFIH-NWDGAFQWSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCC2CC[NH+](C)CC2)CO1 ZINC000401908122 384252566 /nfs/dbraw/zinc/25/25/66/384252566.db2.gz VBFUSWNICUXGPH-AAEUAGOBSA-N 2 0 226.364 1.485 20 0 BDADRP CC(C)OCC[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000082645506 384254465 /nfs/dbraw/zinc/25/44/65/384254465.db2.gz IVRGDSBDPPXOST-NEPJUHHUSA-N 2 0 214.353 1.471 20 0 BDADRP CC(C)C[C@@H]([NH3+])c1noc([C@@]2(F)CC[NH2+]C2)n1 ZINC000566216443 384259399 /nfs/dbraw/zinc/25/93/99/384259399.db2.gz WMCGFLWZWQDUOL-LDYMZIIASA-N 2 0 242.298 1.274 20 0 BDADRP COC[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000173778203 384260711 /nfs/dbraw/zinc/26/07/11/384260711.db2.gz YTEHTAJESPWLGV-RYUDHWBXSA-N 2 0 230.396 1.977 20 0 BDADRP Cc1c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cnn1C ZINC000228536641 384274901 /nfs/dbraw/zinc/27/49/01/384274901.db2.gz JTXDQJSPTCCSSA-IACUBPJLSA-N 2 0 248.374 1.288 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@H](C)C1 ZINC000300024158 384278738 /nfs/dbraw/zinc/27/87/38/384278738.db2.gz LLJSUYYAQLFIQW-TUAOUCFPSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CO[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000401915113 384280068 /nfs/dbraw/zinc/28/00/68/384280068.db2.gz AMNXAVXPFSBFDP-RDBSUJKOSA-N 2 0 240.391 1.875 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](CO)C2)[C@H](C)C1 ZINC000449430541 384394917 /nfs/dbraw/zinc/39/49/17/384394917.db2.gz XTZRRXDPPUKQCH-MQYQWHSLSA-N 2 0 240.391 1.467 20 0 BDADRP CC(C)OC(=O)CC[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000566412117 384399174 /nfs/dbraw/zinc/39/91/74/384399174.db2.gz CCQVMAVRXWQPME-QWRGUYRKSA-N 2 0 228.336 1.140 20 0 BDADRP Nc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cn1 ZINC000647512006 384400563 /nfs/dbraw/zinc/40/05/63/384400563.db2.gz YXXMUAZJACWIHT-XQQFMLRXSA-N 2 0 246.358 1.053 20 0 BDADRP Cc1nc(C)c(C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)s1 ZINC000405529495 384405940 /nfs/dbraw/zinc/40/59/40/384405940.db2.gz XSZXOYNSVLDYPR-GHMZBOCLSA-N 2 0 239.388 1.975 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@H]1C)[C@H](C)O ZINC000449547084 384500866 /nfs/dbraw/zinc/50/08/66/384500866.db2.gz XEAKCDOTOZVJQT-RSLMWUCJSA-N 2 0 226.364 1.218 20 0 BDADRP C[N@H+](CC1CCOCC1)C[C@@H]1CCC[NH+](C)C1 ZINC000172583394 384502631 /nfs/dbraw/zinc/50/26/31/384502631.db2.gz VQWIDRPXQCKAAO-CQSZACIVSA-N 2 0 240.391 1.687 20 0 BDADRP CC(C)OCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150808439 384515335 /nfs/dbraw/zinc/51/53/35/384515335.db2.gz QIFNJFSPQJDATQ-CQSZACIVSA-N 2 0 240.391 1.829 20 0 BDADRP CC(C)([NH3+])CCC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000648147280 384522469 /nfs/dbraw/zinc/52/24/69/384522469.db2.gz CCNXJBCIUJBDQV-LLVKDONJSA-N 2 0 241.379 1.152 20 0 BDADRP C[N@H+](CCC1CC[NH2+]CC1)[C@H]1CCOC1 ZINC000085438592 384523158 /nfs/dbraw/zinc/52/31/58/384523158.db2.gz SKTSKAOEYPIFMD-LBPRGKRZSA-N 2 0 212.337 1.097 20 0 BDADRP CC[C@H]1COCCN1CC[C@@H]1CCC[N@@H+]1C ZINC000161926308 384543121 /nfs/dbraw/zinc/54/31/21/384543121.db2.gz IDOSIJKKHHNCPN-STQMWFEESA-N 2 0 226.364 1.582 20 0 BDADRP CC(C)(C)C[N@H+](CCO)CC[C@H]1CCC[NH2+]C1 ZINC000643057850 384563220 /nfs/dbraw/zinc/56/32/20/384563220.db2.gz MBQBDQYMKXSEKG-CYBMUJFWSA-N 2 0 242.407 1.717 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CCOC2)C1 ZINC000151103103 384538325 /nfs/dbraw/zinc/53/83/25/384538325.db2.gz VMTVFTDPBUCSTM-BFHYXJOUSA-N 2 0 240.391 1.733 20 0 BDADRP C(CN1CC[C@H]2CC[NH2+][C@H]2C1)[C@H]1CCCCO1 ZINC000643064880 384585565 /nfs/dbraw/zinc/58/55/65/384585565.db2.gz DRXLGQXEYZCDAM-MCIONIFRSA-N 2 0 238.375 1.629 20 0 BDADRP CO[C@H]1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000647538542 384667881 /nfs/dbraw/zinc/66/78/81/384667881.db2.gz XCHZEAIXLDRNOK-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP CO[C@@H]1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000647538540 384669038 /nfs/dbraw/zinc/66/90/38/384669038.db2.gz XCHZEAIXLDRNOK-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP CCCC[N@H+](CCO)C[C@]1(C)CC[NH2+]C1 ZINC000309816912 384636542 /nfs/dbraw/zinc/63/65/42/384636542.db2.gz BLITVCKTMFPDTF-GFCCVEGCSA-N 2 0 214.353 1.080 20 0 BDADRP COC[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)C(C)C ZINC000086404594 384647145 /nfs/dbraw/zinc/64/71/45/384647145.db2.gz JKKJLQBGOXCGQW-SRVKXCTJSA-N 2 0 214.353 1.517 20 0 BDADRP CC[NH+]1CCC(C[NH2+]Cc2c[nH]nc2C)CC1 ZINC000044517729 384652584 /nfs/dbraw/zinc/65/25/84/384652584.db2.gz FDZJJRPQWVGSNU-UHFFFAOYSA-N 2 0 236.363 1.540 20 0 BDADRP CCSCC[C@@H](C)[N@H+](C)CCOCC[NH3+] ZINC000336749561 384678854 /nfs/dbraw/zinc/67/88/54/384678854.db2.gz UDQNAJZDSKRKKT-LLVKDONJSA-N 2 0 234.409 1.425 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCOC2)CC[N@@H+]1C ZINC000300358984 384683065 /nfs/dbraw/zinc/68/30/65/384683065.db2.gz CQDAVWVYTDAKPF-FRRDWIJNSA-N 2 0 226.364 1.485 20 0 BDADRP Cn1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000647545752 384726232 /nfs/dbraw/zinc/72/62/32/384726232.db2.gz MHNPNSOBVQQDTK-OLZOCXBDSA-N 2 0 248.374 1.242 20 0 BDADRP CC(F)(F)CC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000357718274 384683794 /nfs/dbraw/zinc/68/37/94/384683794.db2.gz VIFWQDDOXUISBQ-BDAKNGLRSA-N 2 0 206.280 1.749 20 0 BDADRP CC[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)OC ZINC000336659231 384683941 /nfs/dbraw/zinc/68/39/41/384683941.db2.gz IYKDDJLESCUBBV-RWMBFGLXSA-N 2 0 226.364 1.628 20 0 BDADRP CC[C@@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000082485276 384687470 /nfs/dbraw/zinc/68/74/70/384687470.db2.gz ZUPMOAVWDTVPNI-GFCCVEGCSA-N 2 0 227.396 1.401 20 0 BDADRP Cn1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000647545751 384726652 /nfs/dbraw/zinc/72/66/52/384726652.db2.gz MHNPNSOBVQQDTK-CHWSQXEVSA-N 2 0 248.374 1.242 20 0 BDADRP COc1cc(CN[C@@H]2CC[N@H+](C)C[C@@H]2C)ccn1 ZINC000358085510 384693302 /nfs/dbraw/zinc/69/33/02/384693302.db2.gz VFFKTHNROYIOEN-WCQYABFASA-N 2 0 249.358 1.520 20 0 BDADRP c1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n[nH]1 ZINC000647542731 384703223 /nfs/dbraw/zinc/70/32/23/384703223.db2.gz AXWMETNRWZLWHF-QWHCGFSZSA-N 2 0 248.374 1.621 20 0 BDADRP CC(C)(N)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543200 384712470 /nfs/dbraw/zinc/71/24/70/384712470.db2.gz JFLKSSPHNLVXEF-STQMWFEESA-N 2 0 239.407 1.435 20 0 BDADRP C(C[NH2+][C@H]1CC[C@H]1C1CC1)CN1CC[NH2+]CC1 ZINC000423183642 384720226 /nfs/dbraw/zinc/72/02/26/384720226.db2.gz LKCWWFOGLLFJRW-KBPBESRZSA-N 2 0 237.391 1.060 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCCCCF ZINC000308505999 384772900 /nfs/dbraw/zinc/77/29/00/384772900.db2.gz YZNINTOJZAPXET-GHMZBOCLSA-N 2 0 202.317 1.795 20 0 BDADRP CCC[C@@]1(C)CCC[N@H+](CCOCC[NH3+])C1 ZINC000357077053 384776546 /nfs/dbraw/zinc/77/65/46/384776546.db2.gz JGRAJRQXQYVFIM-ZDUSSCGKSA-N 2 0 228.380 1.864 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](NC[C@H]([NH3+])c2ccccc2)C1 ZINC000647546572 384732798 /nfs/dbraw/zinc/73/27/98/384732798.db2.gz PWPMNEZCKJYVLB-UBHSHLNASA-N 2 0 233.359 1.274 20 0 BDADRP CCCC[C@H](CN)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647546747 384733080 /nfs/dbraw/zinc/73/30/80/384733080.db2.gz ZZVTWTYCLPRHCY-AAVRWANBSA-N 2 0 239.407 1.482 20 0 BDADRP C[C@@H]1C[C@H](NCCC[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000309960587 384734652 /nfs/dbraw/zinc/73/46/52/384734652.db2.gz YEJDTUDZWWPDOO-HIFRSBDPSA-N 2 0 247.386 1.588 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+]CC(C)(C)COC)C1 ZINC000309958760 384743091 /nfs/dbraw/zinc/74/30/91/384743091.db2.gz JXVRDEBPHZWFLC-GFCCVEGCSA-N 2 0 228.380 1.590 20 0 BDADRP C[C@@H]([NH2+]CCC[NH3+])c1ccnn1-c1ccccc1 ZINC000423197572 384750361 /nfs/dbraw/zinc/75/03/61/384750361.db2.gz ZWUUWALSZKMFGB-GFCCVEGCSA-N 2 0 244.342 1.872 20 0 BDADRP C[C@]1(CN[C@H]2CC[NH2+]C3(CCC3)C2)CC[NH2+]C1 ZINC000647548221 384755088 /nfs/dbraw/zinc/75/50/88/384755088.db2.gz ZONFGWLCVXAUNP-STQMWFEESA-N 2 0 237.391 1.250 20 0 BDADRP C[C@@H](NC[C@@H](O)C[N@H+](C)C1CC1)c1ccccn1 ZINC000289577374 384755361 /nfs/dbraw/zinc/75/53/61/384755361.db2.gz QYODYHTUBKFYCQ-DGCLKSJQSA-N 2 0 249.358 1.187 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647552375 384756236 /nfs/dbraw/zinc/75/62/36/384756236.db2.gz YBBGKVHEDLLMIL-RYMFRWLXSA-N 3 0 237.391 1.234 20 0 BDADRP COc1ccsc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000647552542 384760497 /nfs/dbraw/zinc/76/04/97/384760497.db2.gz FYFQPUXOHVKEBY-RKDXNWHRSA-N 2 0 228.361 1.972 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000647553246 384769125 /nfs/dbraw/zinc/76/91/25/384769125.db2.gz MGPATAZQHFOBQR-CQSZACIVSA-N 3 0 233.359 1.235 20 0 BDADRP C(COCC1CC1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300408719 384769449 /nfs/dbraw/zinc/76/94/49/384769449.db2.gz KNYASIFKNTYDDT-KBPBESRZSA-N 2 0 238.375 1.629 20 0 BDADRP C(N[C@@H]1CC[NH2+]C12CCCC2)[C@@H]1CCC[NH2+]C1 ZINC000647554138 384773001 /nfs/dbraw/zinc/77/30/01/384773001.db2.gz RXCITKJGTRKNCE-CHWSQXEVSA-N 2 0 237.391 1.250 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCF)[C@H](C)C1 ZINC000126859085 384817438 /nfs/dbraw/zinc/81/74/38/384817438.db2.gz QNZUJADVSUATHW-GHMZBOCLSA-N 2 0 202.317 1.666 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000335040256 384818526 /nfs/dbraw/zinc/81/85/26/384818526.db2.gz DDSWLUMWSDZPFV-CABCVRRESA-N 2 0 230.355 1.871 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CC[C@H](C)O1 ZINC000398171773 384826488 /nfs/dbraw/zinc/82/64/88/384826488.db2.gz PATQNNNYQIQBDP-WOPDTQHZSA-N 2 0 214.353 1.661 20 0 BDADRP Cc1c[nH+]ccc1N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000127001566 384828970 /nfs/dbraw/zinc/82/89/70/384828970.db2.gz KQUMDVSKJHPHPU-WDEREUQCSA-N 2 0 205.305 1.564 20 0 BDADRP CC(C)([NH3+])CCC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000648148056 384829564 /nfs/dbraw/zinc/82/95/64/384829564.db2.gz BRMTUGIMBSFPGB-SNVBAGLBSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@H](C[NH3+])N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000398184700 384835686 /nfs/dbraw/zinc/83/56/86/384835686.db2.gz ILEDWMWURYAKEZ-UMVBOHGHSA-N 2 0 247.386 1.586 20 0 BDADRP C[NH2+]CCN[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000423247028 384781957 /nfs/dbraw/zinc/78/19/57/384781957.db2.gz OPVCMQYTZPNKEW-HUUCEWRRSA-N 2 0 247.386 1.631 20 0 BDADRP CC[C@H](C[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C)OC ZINC000310012548 384783626 /nfs/dbraw/zinc/78/36/26/384783626.db2.gz JEUCCRJXAVOAAX-XQQFMLRXSA-N 2 0 228.380 1.731 20 0 BDADRP COC[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)C1CC1 ZINC000398082285 384796101 /nfs/dbraw/zinc/79/61/01/384796101.db2.gz HASZUNXUAZRUID-STQMWFEESA-N 2 0 226.364 1.533 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1cnn(C)c1 ZINC000423372219 384836440 /nfs/dbraw/zinc/83/64/40/384836440.db2.gz GXFAWKORQFTFES-UPJWGTAASA-N 2 0 236.363 1.731 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]C[C@]1(C)CCCS1 ZINC000308553859 384802205 /nfs/dbraw/zinc/80/22/05/384802205.db2.gz UFWMODVSNJBEHG-QWRGUYRKSA-N 2 0 216.394 1.989 20 0 BDADRP CC(C)CC[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000077339229 384872678 /nfs/dbraw/zinc/87/26/78/384872678.db2.gz SWQTUJYQFGIOMJ-CYBMUJFWSA-N 2 0 225.380 1.012 20 0 BDADRP C[C@H](CC[NH+](C)C)NC1CC[NH+](C2CC2)CC1 ZINC000310197920 384887423 /nfs/dbraw/zinc/88/74/23/384887423.db2.gz BGZLNXOXTLIHGI-GFCCVEGCSA-N 2 0 239.407 1.543 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)C(C)(C)C ZINC000151864741 384850419 /nfs/dbraw/zinc/85/04/19/384850419.db2.gz LKKDRUUJKBUBKL-GFCCVEGCSA-N 2 0 242.407 1.715 20 0 BDADRP CC(C)(C)CCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000300766375 384889102 /nfs/dbraw/zinc/88/91/02/384889102.db2.gz DXJQXGREESKDBH-RYUDHWBXSA-N 2 0 210.365 1.964 20 0 BDADRP COc1cccc(C[NH2+]CC[C@H]2CCC[NH2+]2)c1 ZINC000259064711 384951915 /nfs/dbraw/zinc/95/19/15/384951915.db2.gz RKPMIDAQMMPQJJ-CYBMUJFWSA-N 2 0 234.343 1.927 20 0 BDADRP C[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)C[NH+](C)C ZINC000310191863 384891199 /nfs/dbraw/zinc/89/11/99/384891199.db2.gz YWWIRAVTNKDCHL-RDBSUJKOSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C[NH+](C)C ZINC000310191861 384891823 /nfs/dbraw/zinc/89/18/23/384891823.db2.gz YWWIRAVTNKDCHL-MCIONIFRSA-N 2 0 239.407 1.401 20 0 BDADRP C(N1CC[C@@H]([NH+]2CCCCC2)C1)C12CC(C1)C[NH2+]2 ZINC000634992551 384896774 /nfs/dbraw/zinc/89/67/74/384896774.db2.gz SWLSXXPFEVMZGQ-SHARSMKWSA-N 2 0 249.402 1.299 20 0 BDADRP C[C@H](C[NH2+][C@H](C)[C@H](C)O)C[NH+]1CCCCC1 ZINC000564843560 384958479 /nfs/dbraw/zinc/95/84/79/384958479.db2.gz AOZYGAPPPHXJTD-UPJWGTAASA-N 2 0 228.380 1.467 20 0 BDADRP CC(C)(C[NH2+][C@H]1CCC[C@@H]1[NH3+])c1cccnc1 ZINC000259221244 384959357 /nfs/dbraw/zinc/95/93/57/384959357.db2.gz XOLHKZZQMZULET-STQMWFEESA-N 2 0 233.359 1.829 20 0 BDADRP COCCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000149254854 384922433 /nfs/dbraw/zinc/92/24/33/384922433.db2.gz XGKDXODWOBUAQE-GHMZBOCLSA-N 2 0 200.326 1.095 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+]C2CCC(O)CC2)C1 ZINC000258688669 384930620 /nfs/dbraw/zinc/93/06/20/384930620.db2.gz DPCNBXKCAHJCJD-IYXRBSQSSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@@H](O)C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000644519238 384933638 /nfs/dbraw/zinc/93/36/38/384933638.db2.gz AELBKKRUPUXSPA-LLVKDONJSA-N 2 0 222.332 1.219 20 0 BDADRP Cc1cc(C[NH2+]C[C@@H](C)C[NH3+])ccc1F ZINC000258747089 384940883 /nfs/dbraw/zinc/94/08/83/384940883.db2.gz LSCQTPMDKMSWLI-VIFPVBQESA-N 2 0 210.296 1.819 20 0 BDADRP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCCN2C)ccn1 ZINC000564660552 384942131 /nfs/dbraw/zinc/94/21/31/384942131.db2.gz KGGRTHTUEQHPEM-YPMHNXCESA-N 2 0 249.358 1.835 20 0 BDADRP Cc1ccc(C[NH2+]C[C@H]2CNCCN2C)c(C)c1 ZINC000258907068 384943144 /nfs/dbraw/zinc/94/31/44/384943144.db2.gz LTHMLARAWUDKTI-OAHLLOKOSA-N 2 0 247.386 1.297 20 0 BDADRP C[C@H](O)[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000566230499 384965514 /nfs/dbraw/zinc/96/55/14/384965514.db2.gz HVQIVWQHFIMPOO-AAEUAGOBSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H](O)C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000644569902 384966698 /nfs/dbraw/zinc/96/66/98/384966698.db2.gz MMOFVAWRDBXQFR-MNOVXSKESA-N 2 0 216.369 1.323 20 0 BDADRP CC(C)CC[C@@H](O)C[NH2+][C@@H](C)CC[NH+](C)C ZINC000644562848 384969714 /nfs/dbraw/zinc/96/97/14/384969714.db2.gz CWUVASKADDMOTA-QWHCGFSZSA-N 2 0 230.396 1.713 20 0 BDADRP CC[C@@H](O)C[NH2+][C@H](C)C(C)(C)C[NH+](C)C ZINC000644574321 384974756 /nfs/dbraw/zinc/97/47/56/384974756.db2.gz OJBQWYIBFQENCO-GHMZBOCLSA-N 2 0 216.369 1.323 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCCN(Cc2ccns2)C1 ZINC000404489646 385021914 /nfs/dbraw/zinc/02/19/14/385021914.db2.gz GQQYDGSOJAYVNA-UWVGGRQHSA-N 2 0 225.361 1.702 20 0 BDADRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@@H](C)O)CC1 ZINC000644585230 384986252 /nfs/dbraw/zinc/98/62/52/384986252.db2.gz CQUWJTVLZIUHBZ-CYBMUJFWSA-N 2 0 242.407 1.715 20 0 BDADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](C)O)C1 ZINC000644603623 384997712 /nfs/dbraw/zinc/99/77/12/384997712.db2.gz HIKOODPGHKDNSQ-CHWSQXEVSA-N 2 0 228.380 1.325 20 0 BDADRP C([NH2+][C@@H]1CC[C@@H]1C1CC1)[C@H]1C[NH2+]CCCO1 ZINC000423491437 384999314 /nfs/dbraw/zinc/99/93/14/384999314.db2.gz JQYDPOXPUSZLQU-JHJVBQTASA-N 2 0 224.348 1.143 20 0 BDADRP C[C@H](O)C1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000226437511 385022687 /nfs/dbraw/zinc/02/26/87/385022687.db2.gz FFDBCCRFMOCKGP-RYUDHWBXSA-N 2 0 226.364 1.079 20 0 BDADRP COC[C@@H](C)C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000249894086 385005686 /nfs/dbraw/zinc/00/56/86/385005686.db2.gz RDRKDGINXGQPTI-UONOGXRCSA-N 2 0 242.407 1.979 20 0 BDADRP CC[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000303105471 385023257 /nfs/dbraw/zinc/02/32/57/385023257.db2.gz CRRCSNSVJWRJAO-CHWSQXEVSA-N 2 0 228.380 1.467 20 0 BDADRP c1cc(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)sn1 ZINC000404510188 385015637 /nfs/dbraw/zinc/01/56/37/385015637.db2.gz QBCZHYVLGBUALO-KOLCDFICSA-N 2 0 223.345 1.327 20 0 BDADRP CC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)OC ZINC000310419284 385052666 /nfs/dbraw/zinc/05/26/66/385052666.db2.gz NXGFSTFYWAASPE-XJFOESAGSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H](N)[C@H]1CCCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000359224926 385074560 /nfs/dbraw/zinc/07/45/60/385074560.db2.gz UDRCTXBJRDTOOB-TZMCWYRMSA-N 2 0 239.407 1.578 20 0 BDADRP CSC1(C[NH2+]CCn2ccnc2)CC1 ZINC000289368659 385078160 /nfs/dbraw/zinc/07/81/60/385078160.db2.gz ZMOMCHVATCXJRU-UHFFFAOYSA-N 2 0 211.334 1.368 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000359230554 385078705 /nfs/dbraw/zinc/07/87/05/385078705.db2.gz ZSHLRPVAMHPYHK-TZMCWYRMSA-N 2 0 239.407 1.435 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CO1 ZINC000647207129 385045786 /nfs/dbraw/zinc/04/57/86/385045786.db2.gz YONQOYXFZBSXFI-AAEUAGOBSA-N 2 0 238.375 1.628 20 0 BDADRP CC(C)C[C@@H]([NH3+])c1noc(CC[C@@H](C)[NH3+])n1 ZINC000647132997 385047190 /nfs/dbraw/zinc/04/71/90/385047190.db2.gz HPCWEINIWJXZFM-RKDXNWHRSA-N 2 0 226.324 1.395 20 0 BDADRP CCC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000246165356 385116548 /nfs/dbraw/zinc/11/65/48/385116548.db2.gz ARWLCBATKZTKMI-TUAOUCFPSA-N 2 0 241.379 1.103 20 0 BDADRP c1cncc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000310561839 385117526 /nfs/dbraw/zinc/11/75/26/385117526.db2.gz KBMCMXBPVMRMDU-OKILXGFUSA-N 2 0 231.343 1.513 20 0 BDADRP C[NH+](C)CCC[NH2+][C@H]1CCCSC1 ZINC000061571375 385122789 /nfs/dbraw/zinc/12/27/89/385122789.db2.gz QVNVTJOAMNKSPR-JTQLQIEISA-N 2 0 202.367 1.423 20 0 BDADRP Cc1ccc(O)c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)n1 ZINC000163478906 385128288 /nfs/dbraw/zinc/12/82/88/385128288.db2.gz JSDQYWJUGFUARG-ZYHUDNBSSA-N 2 0 249.358 1.512 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCOCC1CC1 ZINC000404846912 385101032 /nfs/dbraw/zinc/10/10/32/385101032.db2.gz DWZQSYUBBZXJSK-MNOVXSKESA-N 2 0 212.337 1.128 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCC(=O)NC(C)(C)C ZINC000310514658 385102301 /nfs/dbraw/zinc/10/23/01/385102301.db2.gz KRHBMKJDAOWABI-LLVKDONJSA-N 2 0 243.395 1.398 20 0 BDADRP COC[C@H]([NH2+][C@@H](C)CCC[NH3+])C(C)C ZINC000336688944 385107417 /nfs/dbraw/zinc/10/74/17/385107417.db2.gz NXYKAXWBQGAGET-QWRGUYRKSA-N 2 0 202.342 1.374 20 0 BDADRP C[C@@H](CCCC[NH3+])NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000647051329 385187992 /nfs/dbraw/zinc/18/79/92/385187992.db2.gz PITLXUABAIVWHW-NWDGAFQWSA-N 2 0 241.379 1.104 20 0 BDADRP CCC[C@H](CCO)C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000305114500 385188906 /nfs/dbraw/zinc/18/89/06/385188906.db2.gz FEAPBEXXXUZJRN-BFHYXJOUSA-N 2 0 242.407 1.715 20 0 BDADRP CC[NH+](CC)C[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422721284 385202181 /nfs/dbraw/zinc/20/21/81/385202181.db2.gz UWFVFXMXALGZNZ-HABKJSAYSA-N 2 0 239.407 1.589 20 0 BDADRP CC[NH+](CC)C[C@@H](C)N[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422718763 385194841 /nfs/dbraw/zinc/19/48/41/385194841.db2.gz PZBHVMBBRYYIKK-MGPQQGTHSA-N 2 0 241.423 1.837 20 0 BDADRP C[N@@H+]1CCCC[C@H]1CC[NH2+][C@@H]1COCC1(C)C ZINC000313026674 385195469 /nfs/dbraw/zinc/19/54/69/385195469.db2.gz IGENAJSBJGGYRY-QWHCGFSZSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]C[C@@]1(C)CCCO1 ZINC000227470121 385146680 /nfs/dbraw/zinc/14/66/80/385146680.db2.gz JGGKUTSNUJVREX-JHJVBQTASA-N 2 0 226.364 1.676 20 0 BDADRP OCCCCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000157341900 385151655 /nfs/dbraw/zinc/15/16/55/385151655.db2.gz MKDYMCIWWDBMPI-CQSZACIVSA-N 2 0 240.391 1.567 20 0 BDADRP C[C@H](C[NH2+]Cc1cccn1C)C[NH+]1CCCC1 ZINC000062078069 385155286 /nfs/dbraw/zinc/15/52/86/385155286.db2.gz VJNZYFNWSDUYSU-CYBMUJFWSA-N 2 0 235.375 1.847 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccccn1 ZINC000308858055 385217680 /nfs/dbraw/zinc/21/76/80/385217680.db2.gz OPFOHFKJZQKVIL-LLVKDONJSA-N 2 0 207.321 1.689 20 0 BDADRP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000305768829 385227695 /nfs/dbraw/zinc/22/76/95/385227695.db2.gz LEGUSHLHJSAAHZ-FRRDWIJNSA-N 2 0 242.407 1.713 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CC[C@@H]1CCCCO1 ZINC000308871901 385228441 /nfs/dbraw/zinc/22/84/41/385228441.db2.gz SOILTJPUGDLHAM-NEPJUHHUSA-N 2 0 214.353 1.663 20 0 BDADRP C[C@@H]([NH2+]CCC[NH3+])c1ccc2c(c1)OCO2 ZINC000037713242 385309064 /nfs/dbraw/zinc/30/90/64/385309064.db2.gz XRRNTVUKQMDRCQ-SECBINFHSA-N 2 0 222.288 1.415 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H](C)OC)C1 ZINC000166775498 385284270 /nfs/dbraw/zinc/28/42/70/385284270.db2.gz UEARPKZPHJVKFD-YNEHKIRRSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(N)nc2)CC1 ZINC000647491931 385291304 /nfs/dbraw/zinc/29/13/04/385291304.db2.gz ZWTKNJQLCKTUBN-JTQLQIEISA-N 2 0 234.347 1.053 20 0 BDADRP C[NH2+]CC1CC[NH+](Cc2cc(C)n(C)n2)CC1 ZINC000647494314 385334781 /nfs/dbraw/zinc/33/47/81/385334781.db2.gz YTGBEGDRHMQVOV-UHFFFAOYSA-N 2 0 236.363 1.160 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@H]1CCc2ccccc21 ZINC000308992677 385336123 /nfs/dbraw/zinc/33/61/23/385336123.db2.gz OIIAHWAVYQHIOH-GWCFXTLKSA-N 2 0 204.317 1.858 20 0 BDADRP CC[C@H](C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])OC ZINC000308994920 385336474 /nfs/dbraw/zinc/33/64/74/385336474.db2.gz PJACQVIQKMTLBD-UTUOFQBUSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCCCO ZINC000179149208 385368128 /nfs/dbraw/zinc/36/81/28/385368128.db2.gz JBAVDQDLACSSRB-JHJVBQTASA-N 2 0 228.380 1.467 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCCCO ZINC000179149220 385368434 /nfs/dbraw/zinc/36/84/34/385368434.db2.gz JBAVDQDLACSSRB-FRRDWIJNSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCCCO ZINC000179149187 385368625 /nfs/dbraw/zinc/36/86/25/385368625.db2.gz JBAVDQDLACSSRB-UPJWGTAASA-N 2 0 228.380 1.467 20 0 BDADRP COCC(C)(C)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000179421894 385374356 /nfs/dbraw/zinc/37/43/56/385374356.db2.gz LRPCEKGMKSEOKJ-NSHDSACASA-N 2 0 214.353 1.485 20 0 BDADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](C)O)C1 ZINC000192988111 385379724 /nfs/dbraw/zinc/37/97/24/385379724.db2.gz VLABRDCFWMNYTM-NEPJUHHUSA-N 2 0 214.353 1.031 20 0 BDADRP Cc1cncc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000299932444 385328047 /nfs/dbraw/zinc/32/80/47/385328047.db2.gz YHHPRIOPMSXTIP-GXTWGEPZSA-N 2 0 233.359 1.949 20 0 BDADRP Cc1cncc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000299932445 385328323 /nfs/dbraw/zinc/32/83/23/385328323.db2.gz YHHPRIOPMSXTIP-JSGCOSHPSA-N 2 0 233.359 1.949 20 0 BDADRP CC[C@@H]1CN(C[C@@]2(C)CC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000647497752 385407618 /nfs/dbraw/zinc/40/76/18/385407618.db2.gz TWWPKRWLCFMVOE-AGIUHOORSA-N 2 0 225.380 1.045 20 0 BDADRP CC[C@H]1CN(Cc2n[nH]cc2C)CC[C@H]1[NH3+] ZINC000647497504 385409610 /nfs/dbraw/zinc/40/96/10/385409610.db2.gz JOXNAOWBYQXPLZ-WDEREUQCSA-N 2 0 222.336 1.277 20 0 BDADRP CC[C@H]1C[N@H+](CC2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000647498839 385421512 /nfs/dbraw/zinc/42/15/12/385421512.db2.gz RVFXADAVONOKLM-STQMWFEESA-N 2 0 225.380 1.045 20 0 BDADRP CC(C)CCC[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000336720475 385467061 /nfs/dbraw/zinc/46/70/61/385467061.db2.gz WQXLTGUSDYCLIH-CQSZACIVSA-N 2 0 239.407 1.402 20 0 BDADRP COCC[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000405302668 385467271 /nfs/dbraw/zinc/46/72/71/385467271.db2.gz JJYINSDIMXYAOS-IVZWLZJFSA-N 2 0 200.326 1.127 20 0 BDADRP Cn1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000257705027 385490804 /nfs/dbraw/zinc/49/08/04/385490804.db2.gz RBVFGERYVACGCJ-UHFFFAOYSA-N 2 0 233.359 1.601 20 0 BDADRP CC1(C)C[NH2+][C@H]1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000644116224 385496005 /nfs/dbraw/zinc/49/60/05/385496005.db2.gz WCRXBIZTDYPWFM-NSHDSACASA-N 2 0 233.315 1.082 20 0 BDADRP CC[C@@](C)(C[NH2+]CC1=CC[N@H+](C)CC1)OC ZINC000319067314 385545138 /nfs/dbraw/zinc/54/51/38/385545138.db2.gz PZHMTAIUABXCHF-ZDUSSCGKSA-N 2 0 226.364 1.653 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000309354885 385548188 /nfs/dbraw/zinc/54/81/88/385548188.db2.gz NTFXIMITUYGZCR-SMDDNHRTSA-N 2 0 218.344 1.728 20 0 BDADRP Cc1cc(C[NH+]2CCC([C@H](C)[NH3+])CC2)on1 ZINC000082475053 385551571 /nfs/dbraw/zinc/55/15/71/385551571.db2.gz ZPEYXGNAXDTMGY-JTQLQIEISA-N 2 0 223.320 1.542 20 0 BDADRP CCSCC[NH2+][C@H](C)CCN1CCOCC1 ZINC000309459178 385590634 /nfs/dbraw/zinc/59/06/34/385590634.db2.gz NLOIHTOYOZCJMN-GFCCVEGCSA-N 2 0 246.420 1.440 20 0 BDADRP Fc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)nc1 ZINC000647789594 385619545 /nfs/dbraw/zinc/61/95/45/385619545.db2.gz HWZJSVGVSYOARE-GMXVVIOVSA-N 2 0 249.333 1.698 20 0 BDADRP C[C@H](CO)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000336737167 385628349 /nfs/dbraw/zinc/62/83/49/385628349.db2.gz JFCUVJCDLZKWNK-LOWDOPEQSA-N 2 0 226.364 1.077 20 0 BDADRP CCC[NH+]1CCC(NC[C@H](C)C[NH2+]C)CC1 ZINC000414848079 385608842 /nfs/dbraw/zinc/60/88/42/385608842.db2.gz WRIQIZOKOABKED-GFCCVEGCSA-N 2 0 227.396 1.306 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H]2CCCOC2)C1 ZINC000054243341 385611254 /nfs/dbraw/zinc/61/12/54/385611254.db2.gz YXXSRGBUYPEMEL-STQMWFEESA-N 2 0 226.364 1.344 20 0 BDADRP CCOC[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414848328 385612893 /nfs/dbraw/zinc/61/28/93/385612893.db2.gz GNRNRJKOQLVXAH-SRVKXCTJSA-N 2 0 214.353 1.389 20 0 BDADRP CC[NH+]1CCC(N[C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000414851300 385650088 /nfs/dbraw/zinc/65/00/88/385650088.db2.gz IYTAPQWFCWUDHR-CHWSQXEVSA-N 2 0 239.407 1.448 20 0 BDADRP CC[NH2+]CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000414854277 385692933 /nfs/dbraw/zinc/69/29/33/385692933.db2.gz ZBDGOGJFEBZEHQ-UPJWGTAASA-N 2 0 225.380 1.106 20 0 BDADRP FCCCCC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000336686232 385702064 /nfs/dbraw/zinc/70/20/64/385702064.db2.gz KXXXNDYQNSPTAP-GFCCVEGCSA-N 2 0 214.328 1.812 20 0 BDADRP CC(C)[C@](C)(O)C[NH2+][C@H](C)CCC[NH3+] ZINC000336687125 385702505 /nfs/dbraw/zinc/70/25/05/385702505.db2.gz MIFFRIRJQHNLDM-GHMZBOCLSA-N 2 0 202.342 1.110 20 0 BDADRP C[C@@H]([NH2+]CCn1ccnc1)c1cccc(CO)c1 ZINC000270410318 385706325 /nfs/dbraw/zinc/70/63/25/385706325.db2.gz BVAKTGNYKQAZIK-GFCCVEGCSA-N 2 0 245.326 1.726 20 0 BDADRP CCCn1cc(CN[C@H](C[NH3+])CC(C)C)cn1 ZINC000414856441 385711059 /nfs/dbraw/zinc/71/10/59/385711059.db2.gz ZCTQFRCRTLTVPO-ZDUSSCGKSA-N 2 0 238.379 1.756 20 0 BDADRP CCN1CC[C@H]([NH2+]Cc2cccc3c[nH]nc32)C1 ZINC000414542498 385712293 /nfs/dbraw/zinc/71/22/93/385712293.db2.gz LEDLOACAEBQCOZ-ZDUSSCGKSA-N 2 0 244.342 1.747 20 0 BDADRP CC[NH+]1CCC(N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000128524507 385731283 /nfs/dbraw/zinc/73/12/83/385731283.db2.gz DOMINLNBDMUOLY-TZMCWYRMSA-N 3 0 239.407 1.543 20 0 BDADRP OCC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCC1 ZINC000647793913 385731602 /nfs/dbraw/zinc/73/16/02/385731602.db2.gz LXOHRUBRKRYMOM-FRRDWIJNSA-N 2 0 238.375 1.127 20 0 BDADRP COC[C@H](CC(C)C)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414859840 385737001 /nfs/dbraw/zinc/73/70/01/385737001.db2.gz UTJPCQFQCPCAQN-OLZOCXBDSA-N 2 0 228.380 1.637 20 0 BDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]CC1CC1 ZINC000185877261 385743045 /nfs/dbraw/zinc/74/30/45/385743045.db2.gz ZAICXRKUFMHTHD-GFCCVEGCSA-N 2 0 225.380 1.012 20 0 BDADRP CCCC[C@@H](COC)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414860880 385743231 /nfs/dbraw/zinc/74/32/31/385743231.db2.gz WCPICYDQPSNBER-STQMWFEESA-N 2 0 228.380 1.781 20 0 BDADRP CCCC[C@@H](COC)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414860878 385743673 /nfs/dbraw/zinc/74/36/73/385743673.db2.gz WCPICYDQPSNBER-OLZOCXBDSA-N 2 0 228.380 1.781 20 0 BDADRP C/C=C\C[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647795705 385745982 /nfs/dbraw/zinc/74/59/82/385745982.db2.gz UGQDCFJGDIWZRB-XZJUNCRYSA-N 2 0 238.375 1.291 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC000414862112 385750753 /nfs/dbraw/zinc/75/07/53/385750753.db2.gz USMYEEKDOXEWAM-CQSZACIVSA-N 2 0 248.370 1.752 20 0 BDADRP c1ccc([C@@H]2C[C@H](N[C@H]3CC[NH2+]C3)CC[NH2+]2)cc1 ZINC000414866381 385777530 /nfs/dbraw/zinc/77/75/30/385777530.db2.gz FCHCIFNJKAQSEM-ILXRZTDVSA-N 2 0 245.370 1.431 20 0 BDADRP CC[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+]C[C@@H]2C)[C@@H](C)C1 ZINC000414944719 385783507 /nfs/dbraw/zinc/78/35/07/385783507.db2.gz QGVHYMULYHWNDS-FQUUOJAGSA-N 2 0 239.407 1.304 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000336704597 385784693 /nfs/dbraw/zinc/78/46/93/385784693.db2.gz KXTUEKSKRJIDCS-DGCLKSJQSA-N 2 0 234.343 1.707 20 0 BDADRP CCn1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000647799878 385799458 /nfs/dbraw/zinc/79/94/58/385799458.db2.gz RYYWORHIAUISTB-YNEHKIRRSA-N 2 0 248.374 1.381 20 0 BDADRP COC[C@H](CC(C)C)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414946657 385808818 /nfs/dbraw/zinc/80/88/18/385808818.db2.gz UQBUCIXKCRSAKJ-AVGNSLFASA-N 2 0 228.380 1.635 20 0 BDADRP [NH3+]CC1(CNC[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000414950208 385816849 /nfs/dbraw/zinc/81/68/49/385816849.db2.gz DTFGPTCPWKCWFB-CQSZACIVSA-N 2 0 245.370 1.202 20 0 BDADRP COc1ccsc1C[NH2+]C[C@H](C)C[NH3+] ZINC000414869118 385832432 /nfs/dbraw/zinc/83/24/32/385832432.db2.gz ADPGUSBDKSPMGA-MRVPVSSYSA-N 2 0 214.334 1.441 20 0 BDADRP [NH3+]Cc1ccc(CN[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000647802617 385836191 /nfs/dbraw/zinc/83/61/91/385836191.db2.gz PVVNTJLEXPJOPL-STQMWFEESA-N 2 0 219.332 1.115 20 0 BDADRP C[C@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1cccs1 ZINC000336740862 385839151 /nfs/dbraw/zinc/83/91/51/385839151.db2.gz MPQQVQWOCRMDTA-JQWIXIFHSA-N 2 0 240.372 1.465 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC1CCC(F)CC1 ZINC000647804571 385840707 /nfs/dbraw/zinc/84/07/07/385840707.db2.gz VBZVMJWSCTXGHJ-HCWSGVFWSA-N 2 0 214.328 1.984 20 0 BDADRP C[C@@H]1SCC[C@@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000647803999 385841354 /nfs/dbraw/zinc/84/13/54/385841354.db2.gz HKIFBXOHLWCYQR-XKGSQUFQSA-N 2 0 228.405 1.988 20 0 BDADRP CC(C)[C@@H](O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000366630318 385854896 /nfs/dbraw/zinc/85/48/96/385854896.db2.gz QPNUOTUPCKJBOI-STQMWFEESA-N 2 0 228.380 1.419 20 0 BDADRP CO[C@@](C)(C[N@@H+]1CC[C@H](C[NH+](C)C)C1)C1CC1 ZINC000638076900 385795663 /nfs/dbraw/zinc/79/56/63/385795663.db2.gz OSNZQNAMEQRXJP-OCCSQVGLSA-N 2 0 240.391 1.685 20 0 BDADRP [NH3+]C1(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CCC1 ZINC000414874652 385887456 /nfs/dbraw/zinc/88/74/56/385887456.db2.gz IRGAAONMTRSFRC-TUAOUCFPSA-N 2 0 236.359 1.415 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+]C[C@H]1CCO[C@H](CC)C1 ZINC000414962914 385889348 /nfs/dbraw/zinc/88/93/48/385889348.db2.gz SXXKKZDUAZQFNG-FRRDWIJNSA-N 2 0 228.380 1.779 20 0 BDADRP CCOc1ccccc1C[NH2+]C[C@H](C)C[NH3+] ZINC000414875886 385903656 /nfs/dbraw/zinc/90/36/56/385903656.db2.gz KMHYRCUUCJHLNI-LLVKDONJSA-N 2 0 222.332 1.770 20 0 BDADRP CC[NH+](CC)CCCN1CC[NH2+]CC1(C)C ZINC000647852862 385905233 /nfs/dbraw/zinc/90/52/33/385905233.db2.gz JJGPUHROSFHCDP-UHFFFAOYSA-N 2 0 227.396 1.402 20 0 BDADRP C[NH2+]C[C@@H]1CCCN1CCCC1CC[NH2+]CC1 ZINC000647857086 385906653 /nfs/dbraw/zinc/90/66/53/385906653.db2.gz XUVILIJZLLAYAY-AWEZNQCLSA-N 2 0 239.407 1.450 20 0 BDADRP COC1(C[NH2+]C2CC[NH2+]CC2)CCCC1 ZINC000308912424 385909386 /nfs/dbraw/zinc/90/93/86/385909386.db2.gz YEPIUKCLISAEFH-UHFFFAOYSA-N 2 0 212.337 1.287 20 0 BDADRP Cc1nn(C(C)C)cc1C[NH2+]C[C@@H](C)C[NH3+] ZINC000414877402 385920414 /nfs/dbraw/zinc/92/04/14/385920414.db2.gz MVVUERFRGOVNNA-JTQLQIEISA-N 2 0 224.352 1.457 20 0 BDADRP C1=C(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)COCC1 ZINC000334502724 385925665 /nfs/dbraw/zinc/92/56/65/385925665.db2.gz JVKFQZDGRZKMCO-UONOGXRCSA-N 2 0 236.359 1.550 20 0 BDADRP CC[NH+](CC)CCCN1CCCC[C@H]1CO ZINC000338255236 385927076 /nfs/dbraw/zinc/92/70/76/385927076.db2.gz YIRGXUAHWZCOQW-ZDUSSCGKSA-N 2 0 228.380 1.565 20 0 BDADRP Cc1cnc(CNCC2=CC[N@H+](C)CC2)s1 ZINC000295568863 385927412 /nfs/dbraw/zinc/92/74/12/385927412.db2.gz ZSUXPXAHJWCTNY-UHFFFAOYSA-N 2 0 237.372 1.803 20 0 BDADRP CCC[NH2+]CCN[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000414871763 385860534 /nfs/dbraw/zinc/86/05/34/385860534.db2.gz OLAWCXQWWRGZAF-QWHCGFSZSA-N 2 0 227.396 1.306 20 0 BDADRP C[C@@H](C(=O)NCC(C)(C)[NH3+])[C@H]([NH3+])c1ccccc1 ZINC000262651035 385870576 /nfs/dbraw/zinc/87/05/76/385870576.db2.gz VGXPHAQGIJWXOT-PWSUYJOCSA-N 2 0 249.358 1.176 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000414872929 385871757 /nfs/dbraw/zinc/87/17/57/385871757.db2.gz GPDHHQXTDQSFBQ-GFCCVEGCSA-N 2 0 244.342 1.557 20 0 BDADRP [NH3+]C[C@H]1CCCCN1CCCC1CC[NH2+]CC1 ZINC000647827988 385876082 /nfs/dbraw/zinc/87/60/82/385876082.db2.gz UHSVUSKURAEOJG-CQSZACIVSA-N 2 0 239.407 1.579 20 0 BDADRP C[NH2+]C[C@H]1CCN(Cc2noc3c2CCCC3)C1 ZINC000647836724 385879893 /nfs/dbraw/zinc/87/98/93/385879893.db2.gz BUMGXIRZTLXHGA-LLVKDONJSA-N 2 0 249.358 1.595 20 0 BDADRP C[NH2+]C[C@@H]1CCN(Cc2noc3c2CCCC3)C1 ZINC000647836726 385880137 /nfs/dbraw/zinc/88/01/37/385880137.db2.gz BUMGXIRZTLXHGA-NSHDSACASA-N 2 0 249.358 1.595 20 0 BDADRP COc1cccc(C[C@H](C)[NH2+]C[C@@H](C)C[NH3+])n1 ZINC000414874195 385881258 /nfs/dbraw/zinc/88/12/58/385881258.db2.gz IMUCDMZQNZVDHO-QWRGUYRKSA-N 2 0 237.347 1.206 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647836860 385881551 /nfs/dbraw/zinc/88/15/51/385881551.db2.gz JZDNNWFXXAZAOA-CQSZACIVSA-N 3 0 239.407 1.308 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](OC)C2CC2)C1 ZINC000425417305 385994599 /nfs/dbraw/zinc/99/45/99/385994599.db2.gz HKGOQSWKQQNBCI-GXTWGEPZSA-N 2 0 240.391 1.685 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](CO)[C@@H]1C ZINC000338355409 385977408 /nfs/dbraw/zinc/97/74/08/385977408.db2.gz JJHKGQBUTSPWPV-STQMWFEESA-N 2 0 228.380 1.421 20 0 BDADRP CC[NH+](CC)CCOCC[NH2+][C@H](C)[C@@H]1C[C@@H]1C ZINC000414132806 385982148 /nfs/dbraw/zinc/98/21/48/385982148.db2.gz MUVXVOXUJUKGGB-BFHYXJOUSA-N 2 0 242.407 1.979 20 0 BDADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000295190280 385986854 /nfs/dbraw/zinc/98/68/54/385986854.db2.gz NYFRDJZARYBBCB-WXHSDQCUSA-N 2 0 249.358 1.176 20 0 BDADRP CC(C)[C@@H]([NH3+])CNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000295202335 385991529 /nfs/dbraw/zinc/99/15/29/385991529.db2.gz PFQDQGSXCWZQES-OLZOCXBDSA-N 2 0 249.358 1.176 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414973504 385992988 /nfs/dbraw/zinc/99/29/88/385992988.db2.gz ZTQLZTJKFKWQIM-OLZOCXBDSA-N 3 0 227.396 1.482 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+]CCC[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000414968609 385941435 /nfs/dbraw/zinc/94/14/35/385941435.db2.gz RUFGBDFXPRBLNP-RDBSUJKOSA-N 3 0 239.407 1.496 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+]CCC[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000414968606 385942492 /nfs/dbraw/zinc/94/24/92/385942492.db2.gz RUFGBDFXPRBLNP-HZSPNIEDSA-N 3 0 239.407 1.496 20 0 BDADRP C(CN1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCC[NH2+]C1 ZINC000251415639 385955748 /nfs/dbraw/zinc/95/57/48/385955748.db2.gz RPGQEPPOLHEAMO-KGLIPLIRSA-N 2 0 237.391 1.156 20 0 BDADRP Cc1cc(N)cc(C[NH2+]C[C@]2(C)CC[NH2+]C2)c1 ZINC000414971080 385970174 /nfs/dbraw/zinc/97/01/74/385970174.db2.gz VVGLIZKZFNLXIA-CQSZACIVSA-N 2 0 233.359 1.666 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H](O)C2)CC[N@@H+]1C ZINC000189285908 385972201 /nfs/dbraw/zinc/97/22/01/385972201.db2.gz RSXDMRQQRDXCFL-LPWJVIDDSA-N 2 0 226.364 1.220 20 0 BDADRP CC(C)CCC[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000338424525 385998147 /nfs/dbraw/zinc/99/81/47/385998147.db2.gz XPXNZRSSGZGYHC-CQSZACIVSA-N 2 0 241.423 1.648 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1O ZINC000414154719 386004288 /nfs/dbraw/zinc/00/42/88/386004288.db2.gz UCGPPOQGUKPOSP-RXGFPQBGSA-N 2 0 226.364 1.218 20 0 BDADRP CC[C@@H]([NH3+])CNCc1cc(F)ccc1C ZINC000414974274 386009390 /nfs/dbraw/zinc/00/93/90/386009390.db2.gz DIBCVKRVFBQJPV-GFCCVEGCSA-N 2 0 210.296 1.961 20 0 BDADRP CC(C)CCC[C@H](C)[NH2+]CCN1CC[NH2+]CC1 ZINC000414882425 386012698 /nfs/dbraw/zinc/01/26/98/386012698.db2.gz MMOCMKUCQCTBSM-AWEZNQCLSA-N 2 0 241.423 1.696 20 0 BDADRP CC(C)OC1CC([NH2+]CCN2CCCC2)C1 ZINC000189558230 386025046 /nfs/dbraw/zinc/02/50/46/386025046.db2.gz WADLBNGRMKZVAR-UHFFFAOYSA-N 2 0 226.364 1.628 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(CC3CC3)C2)CS1 ZINC000638582286 386035132 /nfs/dbraw/zinc/03/51/32/386035132.db2.gz MBZMFOXFDAHYDS-KGYLQXTDSA-N 2 0 240.416 1.954 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)[C@H]1CCCOC1)C[NH+](C)C ZINC000336738547 386107007 /nfs/dbraw/zinc/10/70/07/386107007.db2.gz KIMDIDOQWFFEDB-AGIUHOORSA-N 2 0 228.380 1.589 20 0 BDADRP CSCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000334455854 386107738 /nfs/dbraw/zinc/10/77/38/386107738.db2.gz GPAULNKVYCHIJN-LBPRGKRZSA-N 2 0 228.405 1.767 20 0 BDADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414666732 386112378 /nfs/dbraw/zinc/11/23/78/386112378.db2.gz XFCZHWSMNZFQTK-YVECIDJPSA-N 3 0 225.380 1.044 20 0 BDADRP C[C@@H](CC[NH3+])[NH2+]Cc1cc(O)cc(F)c1 ZINC000414889934 386118926 /nfs/dbraw/zinc/11/89/26/386118926.db2.gz GUCJRESOLWQWJW-QMMMGPOBSA-N 2 0 212.268 1.358 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H]1COCC1(C)C ZINC000313050582 386061322 /nfs/dbraw/zinc/06/13/22/386061322.db2.gz CTEIIOKGHJOGPN-ZJUUUORDSA-N 2 0 200.326 1.128 20 0 BDADRP COCC[C@H](C)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000414209262 386063064 /nfs/dbraw/zinc/06/30/64/386063064.db2.gz SJFDNYQYLJWHRS-RFQIPJPRSA-N 2 0 242.407 1.977 20 0 BDADRP CSC[C@@H](O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365404931 386079624 /nfs/dbraw/zinc/07/96/24/386079624.db2.gz RLQJCHUSQOKUTO-RYUDHWBXSA-N 2 0 246.420 1.126 20 0 BDADRP Cc1cc(F)ccc1C[NH2+]C[C@@H](C)C[NH3+] ZINC000414887129 386084317 /nfs/dbraw/zinc/08/43/17/386084317.db2.gz YTFOVFOQKOOXBW-VIFPVBQESA-N 2 0 210.296 1.819 20 0 BDADRP CCC[C@@H]1CNCC[N@@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414657331 386086431 /nfs/dbraw/zinc/08/64/31/386086431.db2.gz HQLPRJHTQKPQBF-HZSPNIEDSA-N 2 0 239.407 1.448 20 0 BDADRP CC[N@@H+]1CC[C@H](NCC2([NH3+])CCC2)[C@H](C)C1 ZINC000414887760 386095186 /nfs/dbraw/zinc/09/51/86/386095186.db2.gz ZLHIHZWLKBTVNQ-NEPJUHHUSA-N 3 0 225.380 1.188 20 0 BDADRP CC[C@@H](C)C[NH2+]CCN(C)CCCOC ZINC000093076906 386097450 /nfs/dbraw/zinc/09/74/50/386097450.db2.gz HWIJHULIFZTUJR-GFCCVEGCSA-N 2 0 216.369 1.590 20 0 BDADRP CC[C@@H]1C[C@@H](C[NH2+][C@H]2CC[NH2+]C2)CCO1 ZINC000414892763 386151236 /nfs/dbraw/zinc/15/12/36/386151236.db2.gz YIGZYLQZMDPUTK-SDDRHHMPSA-N 2 0 212.337 1.143 20 0 BDADRP C[N@H+](CCCn1ccnc1)Cc1cncc(F)c1 ZINC000275190637 386190070 /nfs/dbraw/zinc/19/00/70/386190070.db2.gz DAJPAQDIRSGIHT-UHFFFAOYSA-N 2 0 248.305 1.939 20 0 BDADRP C[C@H](CC[NH3+])[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC000414893675 386163379 /nfs/dbraw/zinc/16/33/79/386163379.db2.gz YMOUEOWHUIMOEU-LLVKDONJSA-N 2 0 244.342 1.904 20 0 BDADRP CC[N@H+](CCC[NH3+])Cc1ccc2c(c1)OCO2 ZINC000414680980 386164287 /nfs/dbraw/zinc/16/42/87/386164287.db2.gz NTIJKCVKPRSUKP-UHFFFAOYSA-N 2 0 236.315 1.586 20 0 BDADRP Cc1ccc2ncc(C[NH2+][C@H](C)CC[NH3+])n2c1 ZINC000414894199 386170913 /nfs/dbraw/zinc/17/09/13/386170913.db2.gz ZCWHMKPVUFRQNC-LLVKDONJSA-N 2 0 232.331 1.470 20 0 BDADRP C[C@@H]1C[C@@H](C[N@H+](C)CCn2cccn2)CC[NH2+]1 ZINC000414692176 386182303 /nfs/dbraw/zinc/18/23/03/386182303.db2.gz KFEIQNRJJRTTAH-OLZOCXBDSA-N 2 0 236.363 1.203 20 0 BDADRP CO[C@@H](C)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000188124510 386188714 /nfs/dbraw/zinc/18/87/14/386188714.db2.gz BYKNFEMYJSJKJV-NSHDSACASA-N 2 0 228.380 1.874 20 0 BDADRP [NH3+]CCC[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000414700948 386202985 /nfs/dbraw/zinc/20/29/85/386202985.db2.gz ZYJPWMANUBLTBD-UHFFFAOYSA-N 2 0 233.359 1.548 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C[C@H](C)O1 ZINC000414699423 386205544 /nfs/dbraw/zinc/20/55/44/386205544.db2.gz YOGDCOJRSNNUPN-XJFOESAGSA-N 2 0 240.391 1.874 20 0 BDADRP COCC(C)(C)[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414700589 386207091 /nfs/dbraw/zinc/20/70/91/386207091.db2.gz GIDGYIYMCIVUBT-WDEREUQCSA-N 2 0 214.353 1.389 20 0 BDADRP CC(C)n1nccc1C[NH2+][C@H](C)CC[NH3+] ZINC000414896797 386207035 /nfs/dbraw/zinc/20/70/35/386207035.db2.gz PWNHYSVZWRPCSU-SNVBAGLBSA-N 2 0 210.325 1.291 20 0 BDADRP c1cc([C@H]2CCC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)n[nH]1 ZINC000647881019 386207182 /nfs/dbraw/zinc/20/71/82/386207182.db2.gz UXXVAETZLNXXFI-NEPJUHHUSA-N 2 0 234.347 1.199 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](Cc2cccc3c2NCC3)C1 ZINC000347061886 386208765 /nfs/dbraw/zinc/20/87/65/386208765.db2.gz ZFGGGGBZBJOUHM-GFCCVEGCSA-N 2 0 245.370 1.696 20 0 BDADRP CCOC[C@@H]1CC[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414707105 386217761 /nfs/dbraw/zinc/21/77/61/386217761.db2.gz NLBBKVJQJJBVPA-HZSPNIEDSA-N 2 0 240.391 1.733 20 0 BDADRP CC[C@](C)(CCO)[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414708923 386224740 /nfs/dbraw/zinc/22/47/40/386224740.db2.gz OFWJWGTUJJWOBZ-FRRDWIJNSA-N 2 0 228.380 1.515 20 0 BDADRP Cc1cccc2ncc(CN(C)[C@@H](C)C[NH3+])n21 ZINC000347040332 386225979 /nfs/dbraw/zinc/22/59/79/386225979.db2.gz HWHYRTIEEHYELJ-NSHDSACASA-N 2 0 232.331 1.422 20 0 BDADRP Cc1cnccc1CC[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000339059579 386229838 /nfs/dbraw/zinc/22/98/38/386229838.db2.gz VRSFFHOKODCJQD-GXTWGEPZSA-N 2 0 233.359 1.472 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CSC[C@@H]1C ZINC000308446373 386232482 /nfs/dbraw/zinc/23/24/82/386232482.db2.gz ASDIPOUEEWVXHH-HBNTYKKESA-N 2 0 216.394 1.668 20 0 BDADRP C[C@@H](O)C(C)(C)[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414714397 386233714 /nfs/dbraw/zinc/23/37/14/386233714.db2.gz VMUBWJSMTBWWEX-GMTAPVOTSA-N 2 0 214.353 1.124 20 0 BDADRP C[C@H]1C[C@H](C[NH2+]CC2(C)CC[NH2+]CC2)CC[NH2+]1 ZINC000414898552 386234756 /nfs/dbraw/zinc/23/47/56/386234756.db2.gz GFXMMBIKUHTOER-QWHCGFSZSA-N 3 0 239.407 1.354 20 0 BDADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](C)O ZINC000339096374 386242780 /nfs/dbraw/zinc/24/27/80/386242780.db2.gz LXPSYKMCRJPCMG-RDBSUJKOSA-N 2 0 242.407 1.857 20 0 BDADRP COc1ccccc1/C=C\CN(C)[C@H](C)C[NH3+] ZINC000347141514 386261026 /nfs/dbraw/zinc/26/10/26/386261026.db2.gz WQFXPVGJGDXOJZ-XYLWRLHESA-N 2 0 234.343 1.987 20 0 BDADRP CC[C@H]1C[C@@H](C[NH+]2CCC([NH2+]C)CC2)CCO1 ZINC000347140055 386257031 /nfs/dbraw/zinc/25/70/31/386257031.db2.gz WAJCXGKJWXBESZ-JSGCOSHPSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)CC[NH2+]1 ZINC000414698162 386198018 /nfs/dbraw/zinc/19/80/18/386198018.db2.gz IQIKNZIIQVGANB-YIYPIFLZSA-N 3 0 237.391 1.058 20 0 BDADRP c1cc(C2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)ccn1 ZINC000647988058 386293199 /nfs/dbraw/zinc/29/31/99/386293199.db2.gz JMYASHWICBERKM-ZDUSSCGKSA-N 2 0 245.370 1.871 20 0 BDADRP CC(C)C[C@H](N)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000414733638 386294927 /nfs/dbraw/zinc/29/49/27/386294927.db2.gz JUYJYXRDJFQVOH-OLZOCXBDSA-N 2 0 227.396 1.421 20 0 BDADRP CN(C)[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000091394997 386296016 /nfs/dbraw/zinc/29/60/16/386296016.db2.gz IWSGTHNHLUFWDW-UONOGXRCSA-N 2 0 239.407 1.402 20 0 BDADRP CC[C@]1(CO)CCC[N@@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414737075 386304794 /nfs/dbraw/zinc/30/47/94/386304794.db2.gz IIQJHBXSUWXUAP-HZSPNIEDSA-N 2 0 240.391 1.611 20 0 BDADRP CC[N@@H+]1C[C@@H](C)N(CC[NH2+]C(C)(C)C)C[C@@H]1C ZINC000414735253 386310392 /nfs/dbraw/zinc/31/03/92/386310392.db2.gz GRFNKPJVHUFEME-QWHCGFSZSA-N 2 0 241.423 1.789 20 0 BDADRP CO[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000336652979 386269928 /nfs/dbraw/zinc/26/99/28/386269928.db2.gz XKFGWSVHHYRIFF-NWDGAFQWSA-N 2 0 212.337 1.191 20 0 BDADRP Nc1cccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000335276784 386341481 /nfs/dbraw/zinc/34/14/81/386341481.db2.gz FQDBYAAVEJFXJW-CHWSQXEVSA-N 2 0 219.332 1.628 20 0 BDADRP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](C)O)CC1 ZINC000336689370 386353857 /nfs/dbraw/zinc/35/38/57/386353857.db2.gz CDPPFJITWJSRDB-LLVKDONJSA-N 2 0 214.353 1.172 20 0 BDADRP C[NH+](C)CC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000336693789 386368041 /nfs/dbraw/zinc/36/80/41/386368041.db2.gz DYFOVPFEHAMOHX-CYBMUJFWSA-N 2 0 226.364 1.297 20 0 BDADRP CC[C@H](COC)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414906213 386370905 /nfs/dbraw/zinc/37/09/05/386370905.db2.gz MFIUHUWLXZVAHY-VXGBXAGGSA-N 2 0 214.353 1.391 20 0 BDADRP CC[C@@H]1CN(C[C@H]([NH3+])CC(C)C)C[C@H]1O ZINC000414752401 386381470 /nfs/dbraw/zinc/38/14/70/386381470.db2.gz BVJYPYZBPDSHMK-IJLUTSLNSA-N 2 0 214.353 1.063 20 0 BDADRP CC[C@H]([NH3+])C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000236914991 386326242 /nfs/dbraw/zinc/32/62/42/386326242.db2.gz MGUVFLMYACCPLU-ZDUSSCGKSA-N 2 0 249.358 1.102 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)C(C)(C)C)C1 ZINC000336677911 386331570 /nfs/dbraw/zinc/33/15/70/386331570.db2.gz ACYQAHLJMIWIHS-OLZOCXBDSA-N 2 0 242.407 1.667 20 0 BDADRP C[C@@H](C[N@H+](C)C[C@@H]1CC[NH2+]C1)c1nccs1 ZINC000647989105 386335898 /nfs/dbraw/zinc/33/58/98/386335898.db2.gz IVNKFKWJFIOCSD-WDEREUQCSA-N 2 0 239.388 1.788 20 0 BDADRP CC[N@@H+]1C[C@H](C)N(C[C@H]2CC[NH2+]C2)C[C@H]1C ZINC000647989117 386336318 /nfs/dbraw/zinc/33/63/18/386336318.db2.gz LCKBIKAKBAVQCX-AGIUHOORSA-N 2 0 225.380 1.010 20 0 BDADRP C[C@H]1C[C@H](C[N@H+](CCO)C2CCC2)CC[NH2+]1 ZINC000414744091 386339196 /nfs/dbraw/zinc/33/91/96/386339196.db2.gz HUMQKHLKXXMORA-NWDGAFQWSA-N 2 0 226.364 1.221 20 0 BDADRP C[NH2+]C[C@](C)(O)C[N@H+](C)CC1CCCCC1 ZINC000519411366 386437104 /nfs/dbraw/zinc/43/71/04/386437104.db2.gz CHWPVKJNWTZWGO-ZDUSSCGKSA-N 2 0 228.380 1.469 20 0 BDADRP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H]1CCOC1 ZINC000336718823 386439881 /nfs/dbraw/zinc/43/98/81/386439881.db2.gz XIGIDLCRUHVMAK-KBPBESRZSA-N 2 0 240.391 1.829 20 0 BDADRP CC(C)(C)[NH2+]CCN1CCC2(C1)CC[NH2+]CC2 ZINC000414767076 386440699 /nfs/dbraw/zinc/44/06/99/386440699.db2.gz SBJLLFCBYGLJQY-UHFFFAOYSA-N 2 0 239.407 1.450 20 0 BDADRP CN(CC[NH2+]C1CCC([NH3+])CC1)C1CCCC1 ZINC000094089028 386444083 /nfs/dbraw/zinc/44/40/83/386444083.db2.gz FRUXEMXQPRDSHM-UHFFFAOYSA-N 3 0 239.407 1.720 20 0 BDADRP c1coc([C@@H](CN[C@@H]2CC[NH2+]C2)[NH+]2CCCC2)c1 ZINC000094074807 386444473 /nfs/dbraw/zinc/44/44/73/386444473.db2.gz XAGDAYHERYNIIG-CHWSQXEVSA-N 2 0 249.358 1.368 20 0 BDADRP CN(Cc1cncn1C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000336700033 386388375 /nfs/dbraw/zinc/38/83/75/386388375.db2.gz KYIFKDNYHBUSDS-LBPRGKRZSA-N 2 0 234.347 1.089 20 0 BDADRP COC[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)C1CC1 ZINC000336775477 386388562 /nfs/dbraw/zinc/38/85/62/386388562.db2.gz ZEBSWOZAQZDGMW-CYBMUJFWSA-N 2 0 224.348 1.263 20 0 BDADRP CC(C)[C@@H](C(=O)NCC(C)(C)[NH+](C)C)[NH+](C)C ZINC000347352774 386391886 /nfs/dbraw/zinc/39/18/86/386391886.db2.gz UTLFXBCPCXYJRX-NSHDSACASA-N 2 0 243.395 1.029 20 0 BDADRP C[C@@H]1C[C@@H](C[N@H+]2C[C@H]3CCC[C@@H](C2)N3)CC[NH2+]1 ZINC000414754824 386394702 /nfs/dbraw/zinc/39/47/02/386394702.db2.gz SJGRTVBYHXQYCL-RQJABVFESA-N 2 0 237.391 1.201 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCCc1nccs1 ZINC000391121255 386409953 /nfs/dbraw/zinc/40/99/53/386409953.db2.gz BJCOWZQQWNUUOV-MNOVXSKESA-N 2 0 239.388 1.793 20 0 BDADRP CC[C@@H](C)[N@H+](CCO)CCC[NH+]1CCCCC1 ZINC000347456441 386411940 /nfs/dbraw/zinc/41/19/40/386411940.db2.gz OARUEQPVKJQEPX-CQSZACIVSA-N 2 0 242.407 1.955 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])[C@@H](C)C1 ZINC000415009695 386425288 /nfs/dbraw/zinc/42/52/88/386425288.db2.gz FOJBMTNAHXYUJO-IHRRRGAJSA-N 3 0 241.423 1.824 20 0 BDADRP Cc1c(C[N@@H+]2CCCC[C@@H]2CC[NH3+])cnn1C ZINC000093651373 386434321 /nfs/dbraw/zinc/43/43/21/386434321.db2.gz MBLDHJWXKMEJHJ-CYBMUJFWSA-N 2 0 236.363 1.432 20 0 BDADRP Cc1c(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cnn1C ZINC000093651378 386434557 /nfs/dbraw/zinc/43/45/57/386434557.db2.gz BCMBTFSHZOQWQZ-LBPRGKRZSA-N 2 0 236.363 1.289 20 0 BDADRP C[C@@H]1C[C@H](CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC[NH2+]1 ZINC000414775857 386476909 /nfs/dbraw/zinc/47/69/09/386476909.db2.gz WDSSGBXRWUARHV-SYQHCUMBSA-N 2 0 237.391 1.058 20 0 BDADRP Cn1cccc1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000227327979 386477060 /nfs/dbraw/zinc/47/70/60/386477060.db2.gz MHIXJXKCZBDXLV-UHFFFAOYSA-N 2 0 235.375 1.847 20 0 BDADRP C[C@H]([NH2+][C@H]1CO[C@H](C)C1)c1cnccc1N ZINC000519538454 386480934 /nfs/dbraw/zinc/48/09/34/386480934.db2.gz DLLCHVYVKIIFHK-KXUCPTDWSA-N 2 0 221.304 1.322 20 0 BDADRP Cc1ncsc1CC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000391204694 386481139 /nfs/dbraw/zinc/48/11/39/386481139.db2.gz ZHADTGRMVYDSQH-QWRGUYRKSA-N 2 0 239.388 1.711 20 0 BDADRP COC(=O)C(C)(C)CC[NH2+][C@@H](C)CCCC[NH3+] ZINC000415011704 386489758 /nfs/dbraw/zinc/48/97/58/386489758.db2.gz HXYMCKUAQNVPKD-NSHDSACASA-N 2 0 244.379 1.683 20 0 BDADRP CCCn1cc(C[NH2+][C@H](C)CCCC[NH3+])cn1 ZINC000415011333 386490076 /nfs/dbraw/zinc/49/00/76/386490076.db2.gz HNCAZUCHTLFDBA-GFCCVEGCSA-N 2 0 238.379 1.900 20 0 BDADRP CCCC(CCC)[NH2+]CCCN1CC[NH2+]CC1 ZINC000414780186 386491542 /nfs/dbraw/zinc/49/15/42/386491542.db2.gz KYFDUDXWRUDUDI-UHFFFAOYSA-N 2 0 241.423 1.840 20 0 BDADRP C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414780745 386497669 /nfs/dbraw/zinc/49/76/69/386497669.db2.gz LXEYZDBBQKNPKK-YIYPIFLZSA-N 2 0 222.376 1.964 20 0 BDADRP C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414780737 386497883 /nfs/dbraw/zinc/49/78/83/386497883.db2.gz LXEYZDBBQKNPKK-AAVRWANBSA-N 2 0 222.376 1.964 20 0 BDADRP Cc1cccc2ncc(C[NH2+][C@H](C)CCC[NH3+])n21 ZINC000415015113 386499555 /nfs/dbraw/zinc/49/95/55/386499555.db2.gz ADPYPRBFADOHCS-LLVKDONJSA-N 2 0 246.358 1.860 20 0 BDADRP CN(C)c1ccccc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000414913990 386500439 /nfs/dbraw/zinc/50/04/39/386500439.db2.gz JYZVPTRSVXDLPP-AWEZNQCLSA-N 2 0 247.386 1.984 20 0 BDADRP C[C@@H]([NH3+])[C@H](C)[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000415015296 386500584 /nfs/dbraw/zinc/50/05/84/386500584.db2.gz MREPLYOMXRILAG-NEPJUHHUSA-N 2 0 248.370 1.879 20 0 BDADRP Cc1ccc2ncc(C[NH2+][C@@H](C)CCC[NH3+])n2c1 ZINC000415016818 386503224 /nfs/dbraw/zinc/50/32/24/386503224.db2.gz DDANFVRVFGLIRK-LBPRGKRZSA-N 3 0 246.358 1.860 20 0 BDADRP CCc1ccccc1[C@@H]([NH3+])CN[C@H]1CCC[NH2+]C1 ZINC000415044222 386529748 /nfs/dbraw/zinc/52/97/48/386529748.db2.gz BLLZTOIJQRQPJO-ZFWWWQNUSA-N 2 0 247.386 1.590 20 0 BDADRP Cc1n[nH]c(C)c1C[NH2+][C@H](C)CCCC[NH3+] ZINC000415017905 386504220 /nfs/dbraw/zinc/50/42/20/386504220.db2.gz SRNQGHHHMIZFIC-SECBINFHSA-N 2 0 224.352 1.634 20 0 BDADRP CCCC[C@H](COC)[NH2+][C@H](C)CCC[NH3+] ZINC000415025938 386515135 /nfs/dbraw/zinc/51/51/35/386515135.db2.gz SBSWINJRUHAQNZ-VXGBXAGGSA-N 2 0 216.369 1.909 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCC[NH3+])[C@H](C)C1 ZINC000415027116 386517043 /nfs/dbraw/zinc/51/70/43/386517043.db2.gz WCNGTPIACMSJLL-AGIUHOORSA-N 3 0 227.396 1.434 20 0 BDADRP C[C@H]1C[C@@H](C[N@H+](C)C2CC[NH2+]CC2)CC[NH2+]1 ZINC000335448074 386518090 /nfs/dbraw/zinc/51/80/90/386518090.db2.gz LRWFAAXFMMVHGU-RYUDHWBXSA-N 2 0 225.380 1.058 20 0 BDADRP COc1cc(C)nc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000415030717 386519064 /nfs/dbraw/zinc/51/90/64/386519064.db2.gz FYSGOMBXFJGSOP-NEPJUHHUSA-N 2 0 249.358 1.616 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@H]1C ZINC000415030599 386519731 /nfs/dbraw/zinc/51/97/31/386519731.db2.gz FDMSCGIGXIAPPN-QKFSQAGISA-N 2 0 208.349 1.619 20 0 BDADRP C[C@H]1CC([NH2+]C[C@@H]2C[NH2+]CCCO2)C[C@H](C)C1 ZINC000415030241 386519770 /nfs/dbraw/zinc/51/97/70/386519770.db2.gz CICWIYZEFQEMRK-BZPMIXESSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415036557 386524267 /nfs/dbraw/zinc/52/42/67/386524267.db2.gz LNLDAIYFQTYULG-VOAKCMCISA-N 3 0 225.380 1.234 20 0 BDADRP CC(C)n1cc(CN[C@H]2CC[NH2+]C2(C)C)cn1 ZINC000415038929 386526629 /nfs/dbraw/zinc/52/66/29/386526629.db2.gz MMFZLZPUDYAXDE-LBPRGKRZSA-N 2 0 236.363 1.694 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC1CC[NH2+]CC1 ZINC000414774517 386464416 /nfs/dbraw/zinc/46/44/16/386464416.db2.gz BLKDGGIFSKDGSQ-OCCSQVGLSA-N 2 0 239.407 1.639 20 0 BDADRP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]CCCC1CCCCC1 ZINC000414773400 386464525 /nfs/dbraw/zinc/46/45/25/386464525.db2.gz AEFNRBHYTRSACE-ZIAGYGMSSA-N 2 0 240.391 1.517 20 0 BDADRP CC(C)C[C@H]([NH3+])CN(C)C1(C[NH3+])CCC1 ZINC000414798864 386574459 /nfs/dbraw/zinc/57/44/59/386574459.db2.gz ZNHYZKYXUXWVGJ-NSHDSACASA-N 2 0 213.369 1.173 20 0 BDADRP CC(C)(O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977955 386577349 /nfs/dbraw/zinc/57/73/49/386577349.db2.gz KDOCRFBKWNXLRR-STQMWFEESA-N 2 0 240.391 1.469 20 0 BDADRP CO[C@@H](C[NH2+]C1CCN(C)CC1)CC(C)C ZINC000417364492 386580742 /nfs/dbraw/zinc/58/07/42/386580742.db2.gz MCYFSDFQJOODEE-CYBMUJFWSA-N 2 0 228.380 1.731 20 0 BDADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)CC1CCOCC1 ZINC000414798276 386583173 /nfs/dbraw/zinc/58/31/73/386583173.db2.gz QATRZYXOGVBNCO-WCQYABFASA-N 2 0 228.380 1.765 20 0 BDADRP CCn1nccc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000414801506 386590709 /nfs/dbraw/zinc/59/07/09/386590709.db2.gz UEYQACKZUJXVHS-PWSUYJOCSA-N 2 0 222.336 1.120 20 0 BDADRP CC(C)(C)[NH2+]CCN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414799209 386591290 /nfs/dbraw/zinc/59/12/90/386591290.db2.gz JWVOKGOUXNSTJD-VXGBXAGGSA-N 2 0 227.396 1.482 20 0 BDADRP CCCc1csc(CN[C@H](C[NH3+])C2CC2)n1 ZINC000414799411 386592550 /nfs/dbraw/zinc/59/25/50/386592550.db2.gz DNSXETOFZOBMMW-LLVKDONJSA-N 2 0 239.388 1.923 20 0 BDADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC1CC[NH2+]CC1 ZINC000337063542 386593151 /nfs/dbraw/zinc/59/31/51/386593151.db2.gz YUDOGGMANMNHRK-ZDUSSCGKSA-N 3 0 227.396 1.291 20 0 BDADRP CCC[C@H](CC)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415045216 386531212 /nfs/dbraw/zinc/53/12/12/386531212.db2.gz SZURJZKITLVXTE-RYUDHWBXSA-N 2 0 214.353 1.533 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)C1CCC1 ZINC000415045230 386531718 /nfs/dbraw/zinc/53/17/18/386531718.db2.gz TVBMMNIKWXGACI-PWSUYJOCSA-N 2 0 212.337 1.143 20 0 BDADRP CC(C)C[C@H](C)C[NH2+]CCCN1CC[NH2+]CC1 ZINC000414788556 386532288 /nfs/dbraw/zinc/53/22/88/386532288.db2.gz DLOFWSUBQYIHHF-AWEZNQCLSA-N 2 0 241.423 1.554 20 0 BDADRP CN(Cc1ccc(F)cc1Cl)C[C@@H](O)C[NH3+] ZINC000336755120 386532658 /nfs/dbraw/zinc/53/26/58/386532658.db2.gz XNEQNOVXXIAMIW-JTQLQIEISA-N 2 0 246.713 1.231 20 0 BDADRP FC(F)(F)[C@H]1CCC[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000415053338 386533860 /nfs/dbraw/zinc/53/38/60/386533860.db2.gz DQBRZGWVIKRXSI-OGBGREFGSA-N 2 0 248.292 1.915 20 0 BDADRP CN(Cc1cc2ccccc2o1)C[C@@H](O)C[NH3+] ZINC000415055457 386537470 /nfs/dbraw/zinc/53/74/70/386537470.db2.gz NBFDACIGMVSTIX-NSHDSACASA-N 2 0 234.299 1.184 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+][C@H](CN)C(C)(C)C)CC[NH2+]1 ZINC000415057821 386540069 /nfs/dbraw/zinc/54/00/69/386540069.db2.gz UMDDOGQLHJPRQF-GRYCIOLGSA-N 2 0 227.396 1.338 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H](CN)C(C)(C)C)CC[NH2+]1 ZINC000415057824 386541945 /nfs/dbraw/zinc/54/19/45/386541945.db2.gz UMDDOGQLHJPRQF-UTUOFQBUSA-N 2 0 227.396 1.338 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H](C[NH3+])C1CCCC1 ZINC000415062252 386543644 /nfs/dbraw/zinc/54/36/44/386543644.db2.gz FBFKXEIBQVTICB-XBFCOCLRSA-N 2 0 239.407 1.624 20 0 BDADRP C[C@H](CC1CCCCC1)C[N@H+](C)C[C@H](O)C[NH3+] ZINC000415064449 386543714 /nfs/dbraw/zinc/54/37/14/386543714.db2.gz CNXNYCCVZWHIKI-TZMCWYRMSA-N 2 0 242.407 1.844 20 0 BDADRP CCC[NH+]1CCC(NC[C@H]([NH3+])C(C)C)CC1 ZINC000414790840 386545150 /nfs/dbraw/zinc/54/51/50/386545150.db2.gz HBQFKLQHPHXTEX-ZDUSSCGKSA-N 2 0 227.396 1.434 20 0 BDADRP c1cnn(CC[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000063200222 386547022 /nfs/dbraw/zinc/54/70/22/386547022.db2.gz ZFAQOXHWDXWNKG-AWEZNQCLSA-N 2 0 248.374 1.347 20 0 BDADRP COCc1ccc(C[NH2+]C2CC[NH2+]CC2)cc1 ZINC000414791443 386547865 /nfs/dbraw/zinc/54/78/65/386547865.db2.gz QZJRKMFWQUIHBP-UHFFFAOYSA-N 2 0 234.343 1.675 20 0 BDADRP C1CC1[C@@H]1CCCC[C@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415066568 386548536 /nfs/dbraw/zinc/54/85/36/386548536.db2.gz TWLHPCAYDZADDD-ODXJTPSBSA-N 2 0 220.360 1.763 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H](CN)C2CCCC2)CC[NH2+]1 ZINC000415065004 386548564 /nfs/dbraw/zinc/54/85/64/386548564.db2.gz LYRGFRDPPDKPFL-BZPMIXESSA-N 2 0 239.407 1.482 20 0 BDADRP Cc1nn(C)c(C)c1CNC[C@@H]([NH3+])C(C)C ZINC000414802774 386597238 /nfs/dbraw/zinc/59/72/38/386597238.db2.gz VXIBQDGHJLZWBU-GFCCVEGCSA-N 2 0 224.352 1.110 20 0 BDADRP C[NH2+]CCCN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647902714 386563371 /nfs/dbraw/zinc/56/33/71/386563371.db2.gz BKSSPYVLHJXTKO-CHWSQXEVSA-N 3 0 225.380 1.060 20 0 BDADRP CN(CC[NH+]1CCC(C[NH3+])CC1)c1ccccc1 ZINC000430645655 386567834 /nfs/dbraw/zinc/56/78/34/386567834.db2.gz CTFYUWKDWFPFOO-UHFFFAOYSA-N 2 0 247.386 1.794 20 0 BDADRP Cc1ccc(N[C@H]2CC[NH2+]C2)c(C[NH+](C)C)c1 ZINC000415112072 386619333 /nfs/dbraw/zinc/61/93/33/386619333.db2.gz CSOZMSVWZWSWKU-ZDUSSCGKSA-N 2 0 233.359 1.830 20 0 BDADRP Cc1cccc(OCC[NH2+]C[C@]2(C)CC[NH2+]C2)c1 ZINC000415111575 386620542 /nfs/dbraw/zinc/62/05/42/386620542.db2.gz RFDSHGQECQXZKO-OAHLLOKOSA-N 2 0 248.370 1.963 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2C[NH3+])CCO1 ZINC000414809028 386623739 /nfs/dbraw/zinc/62/37/39/386623739.db2.gz TUZCBZHMAYBLNX-CRWXNKLISA-N 2 0 240.391 1.907 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[NH2+][C@@H]1CCCOCC1 ZINC000415103584 386624466 /nfs/dbraw/zinc/62/44/66/386624466.db2.gz KPGPKGPJLIAUQK-VXGBXAGGSA-N 2 0 214.353 1.519 20 0 BDADRP C[NH+](C)C1CCC([NH2+]CC2(C)COC2)CC1 ZINC000336782258 386624798 /nfs/dbraw/zinc/62/47/98/386624798.db2.gz XCHSUXTWGIMVDU-UHFFFAOYSA-N 2 0 226.364 1.485 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2C[NH3+])CCO1 ZINC000414809036 386625363 /nfs/dbraw/zinc/62/53/63/386625363.db2.gz TUZCBZHMAYBLNX-SYQHCUMBSA-N 2 0 240.391 1.907 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CC2CCC1CC2)C1C[NH2+]C1 ZINC000335501374 386630357 /nfs/dbraw/zinc/63/03/57/386630357.db2.gz SDFUNDPTNMOICP-ZUYNKMSQSA-N 2 0 208.349 1.763 20 0 BDADRP Cn1ccnc1CN[C@H]1CCCCC[C@H]1[NH3+] ZINC000335502759 386633051 /nfs/dbraw/zinc/63/30/51/386633051.db2.gz YZPGFCDDQYGVLY-MNOVXSKESA-N 2 0 222.336 1.170 20 0 BDADRP COC[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)C1CCCC1 ZINC000425919112 386633271 /nfs/dbraw/zinc/63/32/71/386633271.db2.gz IOYZJTVYOVSZIH-GXTWGEPZSA-N 2 0 242.407 1.979 20 0 BDADRP CC[C@H]1CC[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000336758353 386634324 /nfs/dbraw/zinc/63/43/24/386634324.db2.gz JPSGBGVTTXJTPO-NWDGAFQWSA-N 2 0 214.353 1.343 20 0 BDADRP C[C@@H]([NH3+])c1ccc(CN[C@@H]2CCC[NH2+]C2)cc1 ZINC000414812098 386639691 /nfs/dbraw/zinc/63/96/91/386639691.db2.gz KISOTQKLGNTCFN-BXUZGUMPSA-N 2 0 233.359 1.548 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](CO)[C@@H]2C)CC[NH2+]1 ZINC000415133976 386640553 /nfs/dbraw/zinc/64/05/53/386640553.db2.gz DAJKXHBNXUQZON-XJFOESAGSA-N 2 0 240.391 1.467 20 0 BDADRP CCC([NH3+])(CC)C[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414812848 386643818 /nfs/dbraw/zinc/64/38/18/386643818.db2.gz SBQHZULQSALDKB-VXGBXAGGSA-N 3 0 227.396 1.482 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@H](C)C[C@H]1CCC[NH2+]1 ZINC000414816394 386645363 /nfs/dbraw/zinc/64/53/63/386645363.db2.gz PSYHABNFTCJIFZ-JHJVBQTASA-N 2 0 227.396 1.624 20 0 BDADRP C[C@H]([NH3+])c1ccc(C[NH2+]C2CCN(C)CC2)cc1 ZINC000414814653 386645882 /nfs/dbraw/zinc/64/58/82/386645882.db2.gz VURZBTBLZKVPGO-LBPRGKRZSA-N 2 0 247.386 1.890 20 0 BDADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCO[C@@H]2C)cc1 ZINC000414815575 386650080 /nfs/dbraw/zinc/65/00/80/386650080.db2.gz XQKJDJWAFYMYGN-MISXGVKJSA-N 2 0 234.343 1.973 20 0 BDADRP C1C[C@H]2[C@@H](CCC[C@H]2[NH2+][C@@H]2CCC[NH2+]CC2)O1 ZINC000415082211 386599133 /nfs/dbraw/zinc/59/91/33/386599133.db2.gz CSLMNUWKIFOOAW-AAVRWANBSA-N 2 0 238.375 1.676 20 0 BDADRP CO[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000415082381 386599256 /nfs/dbraw/zinc/59/92/56/386599256.db2.gz OGBYMPZNOKXDQX-YNEHKIRRSA-N 2 0 226.364 1.676 20 0 BDADRP Cc1ccccc1OCC[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000415086323 386599548 /nfs/dbraw/zinc/59/95/48/386599548.db2.gz SBEYWVYOSKWNTN-CQSZACIVSA-N 2 0 248.370 1.963 20 0 BDADRP CCC([NH3+])(CC)CNCc1cccnc1 ZINC000414801456 386599813 /nfs/dbraw/zinc/59/98/13/386599813.db2.gz JFTGLZDLCAMSDN-UHFFFAOYSA-N 2 0 207.321 1.689 20 0 BDADRP C([NH2+][C@H]1CCC12CCC2)[C@@H]1C[NH2+]CCCO1 ZINC000335489394 386606979 /nfs/dbraw/zinc/60/69/79/386606979.db2.gz VLJHLKIBNXEJSO-RYUDHWBXSA-N 2 0 224.348 1.287 20 0 BDADRP C([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)[C@@H]1CCC[NH2+]C1 ZINC000415091793 386610220 /nfs/dbraw/zinc/61/02/20/386610220.db2.gz QWVXIGOCAXUFGH-SYQHCUMBSA-N 2 0 238.375 1.533 20 0 BDADRP C([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)C1CC1 ZINC000096731406 386612545 /nfs/dbraw/zinc/61/25/45/386612545.db2.gz UPMZANQJTXOCIL-ZDUSSCGKSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)C1CCOCC1)[C@H]1CCC[NH2+]C1 ZINC000415093233 386613372 /nfs/dbraw/zinc/61/33/72/386613372.db2.gz UUNIPZKUVZDQST-SCRDCRAPSA-N 2 0 240.391 1.779 20 0 BDADRP C[NH2+]CCN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000414819472 386661016 /nfs/dbraw/zinc/66/10/16/386661016.db2.gz AFJIIQVZOIUHQZ-NEPJUHHUSA-N 2 0 213.369 1.106 20 0 BDADRP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]2)CCO1 ZINC000414820375 386665397 /nfs/dbraw/zinc/66/53/97/386665397.db2.gz AQEYXLVJKWJDSN-AVGNSLFASA-N 2 0 226.364 1.532 20 0 BDADRP Cn1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)n1 ZINC000520406494 386667361 /nfs/dbraw/zinc/66/73/61/386667361.db2.gz IRNDKXVKLFZRLQ-ZDUSSCGKSA-N 2 0 248.374 1.242 20 0 BDADRP C[C@H](NCC[NH2+]C(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC000414818729 386668313 /nfs/dbraw/zinc/66/83/13/386668313.db2.gz FUSXXEKHUOVLRC-RYUDHWBXSA-N 2 0 227.396 1.352 20 0 BDADRP CCc1ncc(C[NH2+]CC[C@@H]2CC[NH2+]C2)s1 ZINC000414831254 386711459 /nfs/dbraw/zinc/71/14/59/386711459.db2.gz MXQSTERXWGTWMA-JTQLQIEISA-N 2 0 239.388 1.795 20 0 BDADRP CC1(C)[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)[C@@H]2CCO[C@@H]21 ZINC000414927333 386695145 /nfs/dbraw/zinc/69/51/45/386695145.db2.gz PAGSUEFCBCFNNR-OFTGVCEQSA-N 2 0 238.375 1.659 20 0 BDADRP C[C@H](C[NH2+]CCN1CC[NH2+]CC1)c1ccccc1 ZINC000022937329 386701009 /nfs/dbraw/zinc/70/10/09/386701009.db2.gz GYLNXZDYQIEMFG-CQSZACIVSA-N 2 0 247.386 1.285 20 0 BDADRP CCOC(=O)CCCC[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000520604816 386705293 /nfs/dbraw/zinc/70/52/93/386705293.db2.gz YVXCUWWQPXFQCO-NWDGAFQWSA-N 2 0 242.363 1.531 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@@H](C[NH3+])C1CCCCC1 ZINC000414830062 386707460 /nfs/dbraw/zinc/70/74/60/386707460.db2.gz ALHYVZQBWZUOBW-KBPBESRZSA-N 2 0 241.423 1.857 20 0 BDADRP C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CCOCC[NH3+] ZINC000357068169 386707886 /nfs/dbraw/zinc/70/78/86/386707886.db2.gz DKMIEJZDGVGLDH-UPJWGTAASA-N 2 0 226.364 1.615 20 0 BDADRP CC[NH2+]CCNC1CC[NH+](C(C)(C)C)CC1 ZINC000414838742 386738462 /nfs/dbraw/zinc/73/84/62/386738462.db2.gz ZJGSPSCJEAPGHY-UHFFFAOYSA-N 2 0 227.396 1.448 20 0 BDADRP C[NH2+][C@@H]1CCN(C(=O)c2ccc([C@H](C)[NH3+])cc2)C1 ZINC000335485630 386713905 /nfs/dbraw/zinc/71/39/05/386713905.db2.gz GKCJAXWCWQWLQN-GXFFZTMASA-N 2 0 247.342 1.140 20 0 BDADRP C[NH2+]CCN[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000414832002 386716042 /nfs/dbraw/zinc/71/60/42/386716042.db2.gz QNEACCHZDQEMGV-UKRRQHHQSA-N 2 0 247.386 1.316 20 0 BDADRP CC(C)n1cc(C[NH2+]CC[C@H]2CC[NH2+]C2)cn1 ZINC000414832287 386716347 /nfs/dbraw/zinc/71/63/47/386716347.db2.gz OJHGUNSYHSEYTE-GFCCVEGCSA-N 2 0 236.363 1.553 20 0 BDADRP C[NH2+]CCN[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000414832000 386718302 /nfs/dbraw/zinc/71/83/02/386718302.db2.gz QNEACCHZDQEMGV-DZGCQCFKSA-N 2 0 247.386 1.316 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414834234 386722616 /nfs/dbraw/zinc/72/26/16/386722616.db2.gz HDFGLKNIZARGRH-MGPQQGTHSA-N 3 0 239.407 1.496 20 0 BDADRP [NH3+][C@@H](CN[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000414834735 386723584 /nfs/dbraw/zinc/72/35/84/386723584.db2.gz QTECQCFNXBTEIV-STQMWFEESA-N 2 0 219.332 1.028 20 0 BDADRP CC[NH+]1CCC([NH2+]CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000414841954 386749310 /nfs/dbraw/zinc/74/93/10/386749310.db2.gz ONFYJGQSAIEXKA-ZDUSSCGKSA-N 3 0 239.407 1.450 20 0 BDADRP CC[C@H](COC)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414843635 386764319 /nfs/dbraw/zinc/76/43/19/386764319.db2.gz QLPMCZBYPFVLMS-VXGBXAGGSA-N 2 0 214.353 1.391 20 0 BDADRP [NH3+][C@H](CNC[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000414838912 386742866 /nfs/dbraw/zinc/74/28/66/386742866.db2.gz VXJGBLQAOSRJBV-GXTWGEPZSA-N 2 0 233.359 1.276 20 0 BDADRP CC[C@H]([NH3+])C(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000269263367 386770362 /nfs/dbraw/zinc/77/03/62/386770362.db2.gz WYPGTBICXHUAKW-ZDUSSCGKSA-N 2 0 249.358 1.319 20 0 BDADRP CCCN(CC[NH+](C)C)C(=O)C[N@H+](C)CCC ZINC000344820406 386778421 /nfs/dbraw/zinc/77/84/21/386778421.db2.gz CLYWRZXLOKPOIY-UHFFFAOYSA-N 2 0 243.395 1.128 20 0 BDADRP C[C@@H]1C[C@H]1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648071952 386786987 /nfs/dbraw/zinc/78/69/87/386786987.db2.gz CJGSOVHGEHHHSS-OLZOCXBDSA-N 2 0 238.375 1.439 20 0 BDADRP CNC(=O)CCC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000398452086 386823601 /nfs/dbraw/zinc/82/36/01/386823601.db2.gz OIGPFFVLKUGHES-QWHCGFSZSA-N 2 0 247.342 1.247 20 0 BDADRP CO[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000300039376 386801708 /nfs/dbraw/zinc/80/17/08/386801708.db2.gz GTXOWTFNCRTIRZ-NWDGAFQWSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000417851167 386802214 /nfs/dbraw/zinc/80/22/14/386802214.db2.gz NBCMTQYTWGTVAR-IJLUTSLNSA-N 2 0 241.379 1.008 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CC[NH2+]Cc2ccccc21 ZINC000414845648 386807049 /nfs/dbraw/zinc/80/70/49/386807049.db2.gz MHYZSPZYIHRRSL-CQSZACIVSA-N 2 0 247.386 1.970 20 0 BDADRP C[C@@H](CCC[NH3+])NC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000417850173 386808301 /nfs/dbraw/zinc/80/83/01/386808301.db2.gz MCOVLWXBZOOLMG-WDEREUQCSA-N 2 0 241.379 1.008 20 0 BDADRP C([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)[C@@H]1CCC[NH2+]1 ZINC000414846093 386810854 /nfs/dbraw/zinc/81/08/54/386810854.db2.gz NADDWAFESZCCTR-LOWDOPEQSA-N 2 0 236.359 1.286 20 0 BDADRP COC1CCC([NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000414846930 386826499 /nfs/dbraw/zinc/82/64/99/386826499.db2.gz FMBDTUCZTMSXQB-MRFVTOPCSA-N 2 0 240.391 1.922 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)CCC[NH3+])C1(C)C ZINC000336674644 386848777 /nfs/dbraw/zinc/84/87/77/386848777.db2.gz UWNUCZMFRXESJO-SDDRHHMPSA-N 2 0 228.380 1.907 20 0 BDADRP C[NH+](C)CC1CC[NH+](Cc2cccnc2)CC1 ZINC000341169002 386849316 /nfs/dbraw/zinc/84/93/16/386849316.db2.gz GZTKINYNEDNPTB-UHFFFAOYSA-N 2 0 233.359 1.855 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000331528722 386864622 /nfs/dbraw/zinc/86/46/22/386864622.db2.gz DAWKCDDJGRJXEC-MGPQQGTHSA-N 3 0 239.407 1.768 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000331528719 386865993 /nfs/dbraw/zinc/86/59/93/386865993.db2.gz DAWKCDDJGRJXEC-MCIONIFRSA-N 3 0 239.407 1.768 20 0 BDADRP C[C@H]1C[C@@H](C[N@@H+]2CCOCC3(CC3)C2)CC[NH2+]1 ZINC000334832928 386870210 /nfs/dbraw/zinc/87/02/10/386870210.db2.gz IVBXPKOTTVGPLC-STQMWFEESA-N 2 0 238.375 1.487 20 0 BDADRP C[C@H]1[C@@H]([NH3+])CCN1Cc1ccccc1N(C)C ZINC000334842103 386886531 /nfs/dbraw/zinc/88/65/31/386886531.db2.gz KOZGAVUDBLDSPU-AAEUAGOBSA-N 2 0 233.359 1.674 20 0 BDADRP COC(=O)C(C)(C)CC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000414943220 386896939 /nfs/dbraw/zinc/89/69/39/386896939.db2.gz NNUOOGWILDNHFY-WDEREUQCSA-N 2 0 242.363 1.163 20 0 BDADRP COC[C@]1(C[NH2+][C@@H]2CCCC[C@@H]2C)CCC[NH2+]1 ZINC000414942236 386900695 /nfs/dbraw/zinc/90/06/95/386900695.db2.gz JVIHAXWYQFRPDX-BFHYXJOUSA-N 2 0 240.391 1.923 20 0 BDADRP c1cc2c(c(CN[C@H]3CCC[NH2+]C3)c1)NCC2 ZINC000334850834 386901146 /nfs/dbraw/zinc/90/11/46/386901146.db2.gz VXAGPMAXOMPSSO-ZDUSSCGKSA-N 2 0 231.343 1.496 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000334856491 386909056 /nfs/dbraw/zinc/90/90/56/386909056.db2.gz ZKSMUDOCOBLHOP-AWEZNQCLSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@H](O)CC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000331935946 386928474 /nfs/dbraw/zinc/92/84/74/386928474.db2.gz HXRIJSDAIOFMOD-AXFHLTTASA-N 2 0 200.326 1.007 20 0 BDADRP CCC([NH3+])(CC)CN[C@@H]1CCC[NH2+]CC1 ZINC000331962264 386932431 /nfs/dbraw/zinc/93/24/31/386932431.db2.gz KMHKYSGZSZXHRV-LLVKDONJSA-N 2 0 213.369 1.236 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000358358916 386942026 /nfs/dbraw/zinc/94/20/26/386942026.db2.gz ZINANCLIUBVYHF-SCRDCRAPSA-N 2 0 240.391 1.467 20 0 BDADRP CC(C)[C@](C)(O)C[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000352902645 386954665 /nfs/dbraw/zinc/95/46/65/386954665.db2.gz NSVDETZQSVHPGH-MRVWCRGKSA-N 2 0 240.391 1.466 20 0 BDADRP CSCCC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000368316511 386958781 /nfs/dbraw/zinc/95/87/81/386958781.db2.gz LCXKRVCYFQHVCF-LBPRGKRZSA-N 2 0 228.405 1.767 20 0 BDADRP CC[NH+](CC)CCN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000368352493 386965536 /nfs/dbraw/zinc/96/55/36/386965536.db2.gz SEBALJGUVFHIGH-CQSZACIVSA-N 2 0 239.407 1.356 20 0 BDADRP CS[C@@H]1CC[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000425357282 386968084 /nfs/dbraw/zinc/96/80/84/386968084.db2.gz PYGIBIRHUNDGNP-WDEREUQCSA-N 2 0 216.394 1.812 20 0 BDADRP [NH3+][C@@H]1C[C@@H](NC[C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000332316103 386972640 /nfs/dbraw/zinc/97/26/40/386972640.db2.gz YMACLVFONBKDDI-NILFDRSVSA-N 2 0 245.370 1.720 20 0 BDADRP [NH3+]Cc1cccc(NC(=O)[C@@H]([NH3+])C2CCC2)c1 ZINC000643425980 386997036 /nfs/dbraw/zinc/99/70/36/386997036.db2.gz AUDODRLVNNAEIH-LBPRGKRZSA-N 2 0 233.315 1.211 20 0 BDADRP C[C@H](CN[C@@H](C)[C@@H]1CCCC[NH2+]1)[N@H+](C)C1CC1 ZINC000395205985 386998193 /nfs/dbraw/zinc/99/81/93/386998193.db2.gz ONNBQKKKQUOKAJ-DYEKYZERSA-N 2 0 239.407 1.589 20 0 BDADRP c1cc(CN[C@@H]2CCC[NH2+]C2)c2c(c1)NCCC2 ZINC000334820733 386949371 /nfs/dbraw/zinc/94/93/71/386949371.db2.gz SWUABCBDXQIHOQ-CYBMUJFWSA-N 2 0 245.370 1.886 20 0 BDADRP Cc1c[nH]nc1CN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000334820656 386950627 /nfs/dbraw/zinc/95/06/27/386950627.db2.gz MECNUFBBIDXEOP-KOLCDFICSA-N 2 0 222.336 1.135 20 0 BDADRP CC(C)(O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000334978957 387066391 /nfs/dbraw/zinc/06/63/91/387066391.db2.gz DQQNIHVLLITVNW-NEPJUHHUSA-N 2 0 226.364 1.079 20 0 BDADRP CC(C)(O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000334979351 387066612 /nfs/dbraw/zinc/06/66/12/387066612.db2.gz DQQNIHVLLITVNW-VXGBXAGGSA-N 2 0 226.364 1.079 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@](C)(O)C2)[C@@H]2CCC[C@H]21 ZINC000417411849 387046056 /nfs/dbraw/zinc/04/60/56/387046056.db2.gz WXINJUWGHVYFDL-QSLWVIQJSA-N 2 0 238.375 1.362 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+](C)C[C@H]2CCOC2)CC[NH2+]1 ZINC000398890668 387013135 /nfs/dbraw/zinc/01/31/35/387013135.db2.gz MQLWUQHKMKDAMC-JHJVBQTASA-N 2 0 226.364 1.343 20 0 BDADRP CC[NH2+]CCCNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000519118940 387015808 /nfs/dbraw/zinc/01/58/08/387015808.db2.gz RCLMHLPARHSOGC-RYUDHWBXSA-N 2 0 241.379 1.010 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCOCC23CC3)CC[NH2+]1 ZINC000334882506 387025634 /nfs/dbraw/zinc/02/56/34/387025634.db2.gz NCAWYJSZACMHER-NEPJUHHUSA-N 2 0 224.348 1.239 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCC3CC[NH2+]CC3)C[C@@H]12 ZINC000359223269 387070811 /nfs/dbraw/zinc/07/08/11/387070811.db2.gz QYZVIOFNJCBZQR-MGPQQGTHSA-N 3 0 237.391 1.045 20 0 BDADRP Cc1cc(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)on1 ZINC000334983747 387071530 /nfs/dbraw/zinc/07/15/30/387071530.db2.gz NKVCOHOCKFBTJU-TZMCWYRMSA-N 2 0 249.358 1.947 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000126913067 387074826 /nfs/dbraw/zinc/07/48/26/387074826.db2.gz GVHVETQWFJFVQT-RISCZKNCSA-N 2 0 246.354 1.791 20 0 BDADRP CC[C@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc(F)cn1 ZINC000423298489 387130424 /nfs/dbraw/zinc/13/04/24/387130424.db2.gz AEVVFADLBSSOQC-ONGXEEELSA-N 2 0 225.311 1.856 20 0 BDADRP C[N@H+](CCN[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000070945372 387086239 /nfs/dbraw/zinc/08/62/39/387086239.db2.gz BHTGYYVBGUBDIO-LBPRGKRZSA-N 2 0 225.380 1.202 20 0 BDADRP C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)[C@H]1CCC[NH2+]C1 ZINC000334996828 387088307 /nfs/dbraw/zinc/08/83/07/387088307.db2.gz VYUNURGCAHGILO-ZIAGYGMSSA-N 3 0 237.391 1.062 20 0 BDADRP CCOCCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228473536 387088456 /nfs/dbraw/zinc/08/84/56/387088456.db2.gz KXTCLVAWAKZZGX-YNEHKIRRSA-N 2 0 226.364 1.472 20 0 BDADRP Oc1ccc2c(c1)C[N@@H+](CC[C@@H]1CC[NH2+]C1)CC2 ZINC000334997958 387091139 /nfs/dbraw/zinc/09/11/39/387091139.db2.gz JRFRHPBOKPZDED-LBPRGKRZSA-N 2 0 246.354 1.750 20 0 BDADRP C[C@H]([NH3+])CC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000336274691 387106177 /nfs/dbraw/zinc/10/61/77/387106177.db2.gz IVYRZIDHUKOWEZ-VIFPVBQESA-N 2 0 233.315 1.008 20 0 BDADRP C[C@@H](Cc1ccccc1F)[NH2+]CC1C[NH2+]C1 ZINC000423300991 387131946 /nfs/dbraw/zinc/13/19/46/387131946.db2.gz GMDYDMOEBWOGFZ-JTQLQIEISA-N 2 0 222.307 1.566 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCc2ccccc21)C1C[NH2+]C1 ZINC000335026305 387119106 /nfs/dbraw/zinc/11/91/06/387119106.db2.gz YLYMZVKZAUEQOQ-QMTHXVAHSA-N 2 0 216.328 1.871 20 0 BDADRP C[NH+](C)C[C@@](C)(O)C[NH2+]C1CCC(C)(C)CC1 ZINC000228725122 387121909 /nfs/dbraw/zinc/12/19/09/387121909.db2.gz VYSBHOWZJYLYTR-AWEZNQCLSA-N 2 0 242.407 1.857 20 0 BDADRP CC[C@@H](C)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000334981535 387067625 /nfs/dbraw/zinc/06/76/25/387067625.db2.gz RMGLNTYCFYALBV-NEPJUHHUSA-N 2 0 226.364 1.472 20 0 BDADRP C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]CC1C[NH2+]C1 ZINC000423305550 387142025 /nfs/dbraw/zinc/14/20/25/387142025.db2.gz RDNHVXJRWKJIRG-GLQYFDAESA-N 2 0 230.355 1.988 20 0 BDADRP CC(C)CCOCC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000119539728 387142119 /nfs/dbraw/zinc/14/21/19/387142119.db2.gz ZLPXPYNSUMJCRN-KBPBESRZSA-N 2 0 242.407 1.979 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000423310576 387145591 /nfs/dbraw/zinc/14/55/91/387145591.db2.gz SAOSUZOAAIEFGC-WRWGMCAJSA-N 2 0 226.364 1.374 20 0 BDADRP CCC[NH2+]CCN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000423310331 387146866 /nfs/dbraw/zinc/14/68/66/387146866.db2.gz NJULZFJDEUVMRC-NEPJUHHUSA-N 2 0 213.369 1.093 20 0 BDADRP C[C@H](C[NH3+])CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000423310896 387149576 /nfs/dbraw/zinc/14/95/76/387149576.db2.gz SOJUAPBSTWAODV-YVECIDJPSA-N 2 0 225.380 1.044 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]C1CCC(C(F)F)CC1 ZINC000423313232 387151452 /nfs/dbraw/zinc/15/14/52/387151452.db2.gz WNQXEBQYILMRBQ-XNWIYYODSA-N 2 0 220.307 1.995 20 0 BDADRP COc1ccc([C@H](C)[NH2+]CC2C[NH2+]C2)c(C)c1 ZINC000423313582 387152231 /nfs/dbraw/zinc/15/22/31/387152231.db2.gz FXLGWHXGJBTEMT-NSHDSACASA-N 2 0 234.343 1.874 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@]23C[C@H]2CC[NH2+]3)cc1 ZINC000571754501 387161584 /nfs/dbraw/zinc/16/15/84/387161584.db2.gz KFTHAQOYNQZGGS-UDZFHETQSA-N 2 0 245.326 1.397 20 0 BDADRP CC[N@@H+]1C[C@H](C)[C@H](NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000423320053 387161985 /nfs/dbraw/zinc/16/19/85/387161985.db2.gz FAGOLIYDXYXDOG-BFHYXJOUSA-N 2 0 239.407 1.306 20 0 BDADRP [NH3+]C1(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)CCC1 ZINC000423322808 387163790 /nfs/dbraw/zinc/16/37/90/387163790.db2.gz IRGAAONMTRSFRC-GRYCIOLGSA-N 2 0 236.359 1.415 20 0 BDADRP CO[C@H]1C[C@H]([NH2+]CCC[NH2+]C(C)C)C12CCC2 ZINC000571789132 387171220 /nfs/dbraw/zinc/17/12/20/387171220.db2.gz MXWVSLSONAFXRM-STQMWFEESA-N 2 0 240.391 1.922 20 0 BDADRP [NH3+]CCCC[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000423335907 387183224 /nfs/dbraw/zinc/18/32/24/387183224.db2.gz UJKLATOHPVQMCA-BFHYXJOUSA-N 2 0 240.391 1.910 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+]CC2([NH3+])CCC2)C12CCC2 ZINC000423338121 387186440 /nfs/dbraw/zinc/18/64/40/387186440.db2.gz VRIWAHKEXHUWLG-NEPJUHHUSA-N 2 0 238.375 1.805 20 0 BDADRP CC[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000423340231 387187370 /nfs/dbraw/zinc/18/73/70/387187370.db2.gz VQXQCJBKPYEOSD-OLZOCXBDSA-N 3 0 239.407 1.496 20 0 BDADRP CC(C)O[C@H]1C[C@@H]([NH2+]CCCC[NH3+])C1(C)C ZINC000423342515 387191843 /nfs/dbraw/zinc/19/18/43/387191843.db2.gz YWGULACBSNGXTA-NEPJUHHUSA-N 2 0 228.380 1.907 20 0 BDADRP Cc1ncc([C@H](C)[NH2+]C[C@@H](C)C[NH3+])c(C)n1 ZINC000423303200 387137947 /nfs/dbraw/zinc/13/79/47/387137947.db2.gz WSGLFEJJXBIHIX-IUCAKERBSA-N 2 0 222.336 1.339 20 0 BDADRP COCC[C@H]1CCC[C@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423354741 387205846 /nfs/dbraw/zinc/20/58/46/387205846.db2.gz GQNKVJXUSIRYBK-MGPQQGTHSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000300415645 387207297 /nfs/dbraw/zinc/20/72/97/387207297.db2.gz XTXMTVKUYCCXRQ-XDQVBPFNSA-N 2 0 242.407 1.713 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H](C)[NH+](C)C)cc1 ZINC000423356124 387207503 /nfs/dbraw/zinc/20/75/03/387207503.db2.gz QATQACZAYJVLMC-WDEREUQCSA-N 2 0 249.358 1.386 20 0 BDADRP COC[C@H]([NH2+]CC1=CC[NH2+]CC1)C1CCCC1 ZINC000423356274 387208788 /nfs/dbraw/zinc/20/87/88/387208788.db2.gz QGSURJCGNWQEKY-AWEZNQCLSA-N 2 0 238.375 1.701 20 0 BDADRP C[NH+](C)CCC1CC[NH+](Cc2cnc[nH]2)CC1 ZINC000092381108 387211504 /nfs/dbraw/zinc/21/15/04/387211504.db2.gz IFLSTSJPNXWFFE-UHFFFAOYSA-N 2 0 236.363 1.573 20 0 BDADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423361122 387212324 /nfs/dbraw/zinc/21/23/24/387212324.db2.gz LXWDRBGYYOLSAM-MJBXVCDLSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)[C@@H]1CCCO1 ZINC000423362089 387212511 /nfs/dbraw/zinc/21/25/11/387212511.db2.gz MSRUHQHVSUMVMI-TUAOUCFPSA-N 2 0 212.337 1.286 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)[C@@H]1CCCO1 ZINC000423362090 387213156 /nfs/dbraw/zinc/21/31/56/387213156.db2.gz MSRUHQHVSUMVMI-UTUOFQBUSA-N 2 0 212.337 1.286 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423427123 387252832 /nfs/dbraw/zinc/25/28/32/387252832.db2.gz IEIXUYWTQBLZTN-AGIUHOORSA-N 3 0 227.396 1.624 20 0 BDADRP C[C@H]1C[C@@H](N[C@@H]2CC[NH2+][C@H](C)C2)C[N@@H+]1C1CC1 ZINC000423364143 387215162 /nfs/dbraw/zinc/21/51/62/387215162.db2.gz ATVSQSNRDRWKBH-YVECIDJPSA-N 2 0 237.391 1.342 20 0 BDADRP C[C@@H]1C[C@H](NCC[C@H]2CCC[NH2+]2)C[N@@H+]1C1CC1 ZINC000423364705 387215774 /nfs/dbraw/zinc/21/57/74/387215774.db2.gz OXYMJFOMSTUPDF-UPJWGTAASA-N 2 0 237.391 1.343 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423366572 387219276 /nfs/dbraw/zinc/21/92/76/387219276.db2.gz XXPFRIXUJOQQSV-YNEHKIRRSA-N 2 0 225.380 1.106 20 0 BDADRP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1(C)C ZINC000423370963 387222950 /nfs/dbraw/zinc/22/29/50/387222950.db2.gz GEDGWHPSLMONSC-NAWOPXAZSA-N 2 0 240.391 1.905 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CCOC1 ZINC000423369518 387224351 /nfs/dbraw/zinc/22/43/51/387224351.db2.gz DZBKADVMYKGVKA-RVMXOQNASA-N 2 0 226.364 1.661 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423426967 387253126 /nfs/dbraw/zinc/25/31/26/387253126.db2.gz PZPGYXODMVLIRH-YVECIDJPSA-N 3 0 227.396 1.467 20 0 BDADRP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C1(C)C ZINC000423425722 387253147 /nfs/dbraw/zinc/25/31/47/387253147.db2.gz GZOOMHOFPHMQLD-OBPIAQAESA-N 2 0 238.375 1.386 20 0 BDADRP C[C@H](NC[C@@]1(C)CCC[NH2+]C1)c1c[nH+]ccc1N ZINC000423325358 387229042 /nfs/dbraw/zinc/22/90/42/387229042.db2.gz BTMKQXACYAWZCQ-FZMZJTMJSA-N 2 0 248.374 1.534 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)[C@@H](C)O1 ZINC000423325905 387230086 /nfs/dbraw/zinc/23/00/86/387230086.db2.gz CETFZBFXHHQHNH-FVCCEPFGSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000336410454 387238934 /nfs/dbraw/zinc/23/89/34/387238934.db2.gz DEUODDCTJJCSQY-MFKMUULPSA-N 2 0 244.342 1.732 20 0 BDADRP COC[C@]1(C[NH2+][C@H]2CCC23CCC3)CCC[NH2+]1 ZINC000423408446 387242584 /nfs/dbraw/zinc/24/25/84/387242584.db2.gz AKJQXTXKVVIYQO-GXTWGEPZSA-N 2 0 238.375 1.677 20 0 BDADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCOCC(F)F ZINC000352478007 387245047 /nfs/dbraw/zinc/24/50/47/387245047.db2.gz QYMCAGRPMDKIDD-SNVBAGLBSA-N 2 0 236.306 1.471 20 0 BDADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@](C)(O)C1 ZINC000230202687 387246804 /nfs/dbraw/zinc/24/68/04/387246804.db2.gz MFJAAVYXFPUNKI-QWHCGFSZSA-N 2 0 226.364 1.318 20 0 BDADRP C[C@H]1CCNC[C@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423416414 387249376 /nfs/dbraw/zinc/24/93/76/387249376.db2.gz CMTBAWWBWFIRAT-XDQVBPFNSA-N 2 0 239.407 1.339 20 0 BDADRP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423420750 387250049 /nfs/dbraw/zinc/25/00/49/387250049.db2.gz BHYFQLPRHWOXGL-LVEVGFFFSA-N 2 0 208.349 1.619 20 0 BDADRP CC(C)OCCC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000571921500 387197521 /nfs/dbraw/zinc/19/75/21/387197521.db2.gz WJVLWBQZVLBNTK-AWEZNQCLSA-N 2 0 240.391 1.877 20 0 BDADRP COc1cccc([C@H](C)[NH2+]C[C@@H]2CC[NH2+]C2)c1 ZINC000423348454 387200838 /nfs/dbraw/zinc/20/08/38/387200838.db2.gz TVTWDFQATNVVMR-NWDGAFQWSA-N 2 0 234.343 1.955 20 0 BDADRP C[C@H](NC[C@@]1(C)CCC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423351569 387202008 /nfs/dbraw/zinc/20/20/08/387202008.db2.gz ZFHGPMUUJIKVSF-AVGNSLFASA-N 2 0 225.380 1.106 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423462736 387310365 /nfs/dbraw/zinc/31/03/65/387310365.db2.gz DZRHFTORSDOHBL-RFGFWPKPSA-N 3 0 239.407 1.611 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423463316 387310714 /nfs/dbraw/zinc/31/07/14/387310714.db2.gz FOMJYNDSWSSLNB-RVMXOQNASA-N 3 0 225.380 1.221 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC000423461965 387311489 /nfs/dbraw/zinc/31/14/89/387311489.db2.gz DAXXMXQLFQRZJO-RNJOBUHISA-N 3 0 225.380 1.234 20 0 BDADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)[C@H]1CCCOC1 ZINC000423466004 387314635 /nfs/dbraw/zinc/31/46/35/387314635.db2.gz AKIJIXNOXOUINT-IHRRRGAJSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2C[NH2+]CCC2(F)F)CC[N@@H+]1C ZINC000423467219 387315280 /nfs/dbraw/zinc/31/52/80/387315280.db2.gz DIGOQQMMMBLXTR-GMTAPVOTSA-N 2 0 247.333 1.056 20 0 BDADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCOCC1CC1 ZINC000352494770 387262884 /nfs/dbraw/zinc/26/28/84/387262884.db2.gz FOUJJUBAVYMRFI-CYBMUJFWSA-N 2 0 226.364 1.616 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)[C@H](C)O1 ZINC000423382199 387266306 /nfs/dbraw/zinc/26/63/06/387266306.db2.gz ODAITCZMSRPHLS-RMPHRYRLSA-N 2 0 212.337 1.282 20 0 BDADRP CC[NH2+][C@H](C)CN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000423382988 387266533 /nfs/dbraw/zinc/26/65/33/387266533.db2.gz OYNGGDVOYOWKMR-WOPDTQHZSA-N 2 0 213.369 1.057 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CN1C1CC1 ZINC000423385051 387267249 /nfs/dbraw/zinc/26/72/49/387267249.db2.gz LKKFGXNNRWZSMM-NDBYEHHHSA-N 2 0 237.391 1.471 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@@H](C)C2)C12CCC2 ZINC000423385805 387268409 /nfs/dbraw/zinc/26/84/09/387268409.db2.gz RBJMNDYRAIMFSC-QNWHQSFQSA-N 2 0 238.375 1.674 20 0 BDADRP CC[NH2+][C@H](C)CN[C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423388047 387274390 /nfs/dbraw/zinc/27/43/90/387274390.db2.gz MOKMOMRIWOFJDI-VNHYZAJKSA-N 2 0 249.402 1.533 20 0 BDADRP CC[C@H]([NH3+])CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423470218 387317682 /nfs/dbraw/zinc/31/76/82/387317682.db2.gz PBHVIVKKUUIJLY-XDTLVQLUSA-N 2 0 219.332 1.458 20 0 BDADRP C[NH2+]CCC[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000643498516 387277798 /nfs/dbraw/zinc/27/77/98/387277798.db2.gz OOFWDNXELQFKDK-WDEREUQCSA-N 2 0 200.326 1.143 20 0 BDADRP CC[C@H](N[C@@H]1CC[NH2+]C[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423394651 387281220 /nfs/dbraw/zinc/28/12/20/387281220.db2.gz MVXCRJPCTDMTPG-RVMXOQNASA-N 2 0 225.380 1.105 20 0 BDADRP C1CC1[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCCC1 ZINC000423430992 387281953 /nfs/dbraw/zinc/28/19/53/387281953.db2.gz NAXYKJHOZFAWEH-RFQIPJPRSA-N 2 0 220.360 1.763 20 0 BDADRP CC[NH2+]CCC[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000643499209 387286041 /nfs/dbraw/zinc/28/60/41/387286041.db2.gz INPOATKGRRDMDO-NWDGAFQWSA-N 2 0 214.353 1.533 20 0 BDADRP C[C@@H](N)[C@H](Cc1ccccc1)[NH2+][C@H](C)CCC[NH3+] ZINC000423444585 387295199 /nfs/dbraw/zinc/29/51/99/387295199.db2.gz BCFKNXMMTDFWMJ-NFAWXSAZSA-N 2 0 249.402 1.662 20 0 BDADRP CC(C)(C)[C@H]1CC[C@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423444959 387295923 /nfs/dbraw/zinc/29/59/23/387295923.db2.gz BHYFQLPRHWOXGL-RNWYCLNJSA-N 2 0 208.349 1.619 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])C1(C(=O)OC)CCC1 ZINC000423448582 387297430 /nfs/dbraw/zinc/29/74/30/387297430.db2.gz QOMNURWSOALHDO-VWYCJHECSA-N 2 0 242.363 1.434 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000423447543 387297642 /nfs/dbraw/zinc/29/76/42/387297642.db2.gz ZVCULGLTHOOHBB-HUBLWGQQSA-N 2 0 247.386 1.589 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1C[NH2+]CCC1(F)F ZINC000423480466 387298066 /nfs/dbraw/zinc/29/80/66/387298066.db2.gz NHYPKXFKSOWPIP-GARJFASQSA-N 2 0 247.333 1.091 20 0 BDADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)N[C@@H](C)[C@H](C)[NH3+] ZINC000423455804 387303149 /nfs/dbraw/zinc/30/31/49/387303149.db2.gz CXPHCVKBMVVALV-KZVDOYCCSA-N 2 0 235.375 1.270 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccs2)C1 ZINC000160571785 387304195 /nfs/dbraw/zinc/30/41/95/387304195.db2.gz UIPRNJNAECUJFO-NXEZZACHSA-N 2 0 210.346 1.917 20 0 BDADRP COC[C@@H]([NH2+][C@H](C)CCC[NH3+])C1CCCC1 ZINC000423460407 387309184 /nfs/dbraw/zinc/30/91/84/387309184.db2.gz RYTBMBIYTXDZEA-DGCLKSJQSA-N 2 0 228.380 1.909 20 0 BDADRP COCCC[C@@H](C)[NH2+]CCC[NH2+]C1CC1 ZINC000423532829 387358827 /nfs/dbraw/zinc/35/88/27/387358827.db2.gz VYSZFDBPZDPJBD-LLVKDONJSA-N 2 0 214.353 1.533 20 0 BDADRP C[C@@H](CCC[NH3+])[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423531612 387359106 /nfs/dbraw/zinc/35/91/06/387359106.db2.gz YFWZPPMBROHNOF-GRYCIOLGSA-N 3 0 213.369 1.031 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCC2=CC[NH2+]CC2)CN1C1CC1 ZINC000423537486 387364681 /nfs/dbraw/zinc/36/46/81/387364681.db2.gz KCBLVIKRLDBFEJ-JSGCOSHPSA-N 2 0 249.402 1.511 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423539758 387365658 /nfs/dbraw/zinc/36/56/58/387365658.db2.gz ISMNQDGOTYWHBI-OBPIAQAESA-N 2 0 226.364 1.388 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423539739 387365715 /nfs/dbraw/zinc/36/57/15/387365715.db2.gz PFGYDDUYAVCYFA-OCCSQVGLSA-N 3 0 237.391 1.274 20 0 BDADRP COCCC[C@H](C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423540900 387366264 /nfs/dbraw/zinc/36/62/64/387366264.db2.gz RBCIVWULGQOTQO-LBPRGKRZSA-N 2 0 226.364 1.701 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423540545 387366718 /nfs/dbraw/zinc/36/67/18/387366718.db2.gz QRKNRBXFDSRYEX-KBPBESRZSA-N 3 0 237.391 1.403 20 0 BDADRP C[C@H](NC[C@@H]1CCCC[NH2+]1)c1c[nH+]ccc1N ZINC000643502533 387366953 /nfs/dbraw/zinc/36/69/53/387366953.db2.gz JKTABLJWEREFFY-QWRGUYRKSA-N 2 0 234.347 1.287 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)[C@@H]1CCCOC1 ZINC000423545903 387370077 /nfs/dbraw/zinc/37/00/77/387370077.db2.gz FBDJXRCPCQDNRX-YNEHKIRRSA-N 2 0 226.364 1.533 20 0 BDADRP C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCC[NH2+]1 ZINC000643503002 387370297 /nfs/dbraw/zinc/37/02/97/387370297.db2.gz XZWSRXZRPRLCTI-FXJUQPSGSA-N 2 0 223.364 1.001 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1Cc2ccccc21)C1C[NH2+]C1 ZINC000643453702 387371778 /nfs/dbraw/zinc/37/17/78/387371778.db2.gz UEHLVSOJXBCBKL-JQWIXIFHSA-N 2 0 216.328 1.524 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1ccn(C)n1 ZINC000423473764 387319502 /nfs/dbraw/zinc/31/95/02/387319502.db2.gz OAVJSHDKHWTTNV-SDDRHHMPSA-N 2 0 236.363 1.588 20 0 BDADRP c1cn(C2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)cn1 ZINC000336495831 387321303 /nfs/dbraw/zinc/32/13/03/387321303.db2.gz DDRCJMGVYWGWBO-ZDUSSCGKSA-N 3 0 248.374 1.520 20 0 BDADRP C[C@H]([NH3+])[C@H](C)N[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423475108 387321444 /nfs/dbraw/zinc/32/14/44/387321444.db2.gz RMWSNEJBZMQHQX-PDWCTOEPSA-N 2 0 239.407 1.623 20 0 BDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423475529 387322780 /nfs/dbraw/zinc/32/27/80/387322780.db2.gz PVKZQZXLUABWRT-NDBYEHHHSA-N 2 0 225.380 1.044 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000423484025 387329786 /nfs/dbraw/zinc/32/97/86/387329786.db2.gz YDQOAOHIFNCXRM-NWDGAFQWSA-N 2 0 226.364 1.663 20 0 BDADRP CCC1CC([NH2+]C[C@@H]2C[NH2+]CCCO2)C1 ZINC000423485223 387331545 /nfs/dbraw/zinc/33/15/45/387331545.db2.gz AVAFAIWIQPVQBV-MCIGGMRASA-N 2 0 212.337 1.143 20 0 BDADRP Cc1cccc([C@H](C)[NH2+]C[C@@H]2CNCCN2C)c1 ZINC000423488887 387332971 /nfs/dbraw/zinc/33/29/71/387332971.db2.gz ZJWNEDHWAFCWDZ-ZFWWWQNUSA-N 2 0 247.386 1.549 20 0 BDADRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000423487929 387334361 /nfs/dbraw/zinc/33/43/61/387334361.db2.gz UVVBHIVKOAHVTH-AGIUHOORSA-N 3 0 225.380 1.249 20 0 BDADRP Cn1ccnc1[C@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC000336511084 387335323 /nfs/dbraw/zinc/33/53/23/387335323.db2.gz BVXWAKPANLBBBW-NSHDSACASA-N 2 0 245.330 1.143 20 0 BDADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccnn1C ZINC000423491190 387336901 /nfs/dbraw/zinc/33/69/01/387336901.db2.gz YSIRJVAHIAXHDB-RYUDHWBXSA-N 2 0 236.363 1.603 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](CN)C1CCCC1 ZINC000423503916 387341974 /nfs/dbraw/zinc/34/19/74/387341974.db2.gz NEXAQOPJXUJNOO-AAEUAGOBSA-N 2 0 227.396 1.611 20 0 BDADRP CC[N@H+]1C[C@H](N[C@@H](C[NH3+])C2CCCC2)[C@@H](C)C1 ZINC000423506820 387345430 /nfs/dbraw/zinc/34/54/30/387345430.db2.gz PMSZOCGDTYHYOM-UBHSHLNASA-N 2 0 239.407 1.434 20 0 BDADRP CCc1ccccc1[C@H]([NH3+])CN[C@H](C)C[C@H](C)[NH3+] ZINC000423508861 387346067 /nfs/dbraw/zinc/34/60/67/387346067.db2.gz QZGZGFRCLKZPFY-YWPYICTPSA-N 2 0 249.402 1.964 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000643469329 387426947 /nfs/dbraw/zinc/42/69/47/387426947.db2.gz LNAFLAYTVYOBNS-OLZOCXBDSA-N 2 0 243.314 1.559 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000643469342 387427606 /nfs/dbraw/zinc/42/76/06/387427606.db2.gz LZCDFBPHJZYVAS-GHMZBOCLSA-N 2 0 245.330 1.805 20 0 BDADRP C[N@H+](CC[C@H]1CCC[NH+]1C)[C@H]1CCC[C@@H]1O ZINC000352699400 387442606 /nfs/dbraw/zinc/44/26/06/387442606.db2.gz QRINWZYJSIESRI-AGIUHOORSA-N 2 0 226.364 1.316 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000516044823 387450140 /nfs/dbraw/zinc/45/01/40/387450140.db2.gz UDRUJTVYPKLNKB-JSGCOSHPSA-N 3 0 239.407 1.306 20 0 BDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCCF ZINC000374419698 387452803 /nfs/dbraw/zinc/45/28/03/387452803.db2.gz IWTPLPHUARFGJK-UPJWGTAASA-N 2 0 244.354 1.530 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC1(CO)CCCCC1 ZINC000643466294 387386462 /nfs/dbraw/zinc/38/64/62/387386462.db2.gz XBCYPFRVOFWJAS-NEPJUHHUSA-N 2 0 228.380 1.645 20 0 BDADRP C[NH2+][C@H](C)CNC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000423626907 387388768 /nfs/dbraw/zinc/38/87/68/387388768.db2.gz HONLVGUDLPMVHM-ZYHUDNBSSA-N 2 0 241.379 1.008 20 0 BDADRP CC(C)(O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000336562185 387389602 /nfs/dbraw/zinc/38/96/02/387389602.db2.gz AHHJBRYETIHYGL-GFCCVEGCSA-N 2 0 226.364 1.079 20 0 BDADRP CC[C@H](C(=O)N1CC[C@@H]([NH3+])[C@H]1C)[NH+](CC)CC ZINC000423655027 387392207 /nfs/dbraw/zinc/39/22/07/387392207.db2.gz UPXBHZLMYCQKFE-IJLUTSLNSA-N 2 0 241.379 1.055 20 0 BDADRP CC[C@H]([NH3+])CNC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000423675830 387396167 /nfs/dbraw/zinc/39/61/67/387396167.db2.gz ICXBICJTJYKKHD-RYUDHWBXSA-N 2 0 241.379 1.138 20 0 BDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)C1([NH3+])CCC1 ZINC000423777090 387421570 /nfs/dbraw/zinc/42/15/70/387421570.db2.gz RDDDVBQRJWQPBH-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)C[NH2+]C ZINC000423776437 387422683 /nfs/dbraw/zinc/42/26/83/387422683.db2.gz QLKMEJPLYWDHTJ-RYUDHWBXSA-N 2 0 243.395 1.079 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000643475481 387508488 /nfs/dbraw/zinc/50/84/88/387508488.db2.gz YDIFFDUMNJPNOT-RWMBFGLXSA-N 2 0 226.364 1.676 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000643475314 387508525 /nfs/dbraw/zinc/50/85/25/387508525.db2.gz FPIPXKSMTGBPLQ-YVECIDJPSA-N 2 0 226.364 1.661 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+][C@H](C)CCC[NH3+])C1 ZINC000643475466 387508694 /nfs/dbraw/zinc/50/86/94/387508694.db2.gz WZIBCMNCBDWOET-IJLUTSLNSA-N 2 0 214.353 1.661 20 0 BDADRP C[C@@H]1CC([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C[C@@H](C)O1 ZINC000572463989 387515382 /nfs/dbraw/zinc/51/53/82/387515382.db2.gz MTLQLNRMAVHJNA-DDHJBXDOSA-N 2 0 226.364 1.802 20 0 BDADRP CS[C@@H]1CC[C@H]1[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000425364872 387525931 /nfs/dbraw/zinc/52/59/31/387525931.db2.gz ZSKDZBOBSHFZKA-RAIGVLPGSA-N 2 0 240.416 1.954 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccncn2)CC1 ZINC000396062019 387532524 /nfs/dbraw/zinc/53/25/24/387532524.db2.gz XWWXDFIEXDAYIF-LBPRGKRZSA-N 2 0 248.374 1.859 20 0 BDADRP CC(C)C[C@H](C)C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000397053588 387533833 /nfs/dbraw/zinc/53/38/33/387533833.db2.gz LSKGJPSUWFMGEV-LBPRGKRZSA-N 2 0 228.380 1.454 20 0 BDADRP CC[C@@H](C(=O)N(C)CCC[NH2+]C)[NH+](CC)CC ZINC000424018773 387465594 /nfs/dbraw/zinc/46/55/94/387465594.db2.gz JWOJRNDWTNAPMB-LBPRGKRZSA-N 2 0 243.395 1.175 20 0 BDADRP C[NH2+]CCCN(C)C(=O)[C@@H]([NH3+])c1ccccc1C ZINC000424022763 387467546 /nfs/dbraw/zinc/46/75/46/387467546.db2.gz UQCCTQMSFKXISB-ZDUSSCGKSA-N 2 0 249.358 1.063 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@@H](CO)CC1)[C@@H]1CCC[NH2+]1 ZINC000643471006 387477280 /nfs/dbraw/zinc/47/72/80/387477280.db2.gz JCMPIHOPPVFZLQ-RVMXOQNASA-N 2 0 226.364 1.268 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000643471001 387477510 /nfs/dbraw/zinc/47/75/10/387477510.db2.gz GXMKXSXESSLCGA-WUHRBBMRSA-N 2 0 226.364 1.255 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2CCC[NH2+][C@@H]2C)[C@H](C)O1 ZINC000396708292 387482868 /nfs/dbraw/zinc/48/28/68/387482868.db2.gz OHPGQPVGAYPZDV-ZIQFBCGOSA-N 2 0 212.337 1.282 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2CCC[NH2+][C@H]2C)[C@H](C)O1 ZINC000396708289 387482966 /nfs/dbraw/zinc/48/29/66/387482966.db2.gz OHPGQPVGAYPZDV-IIRVCBMXSA-N 2 0 212.337 1.282 20 0 BDADRP C[C@](O)(C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])C1CC1 ZINC000643473015 387484573 /nfs/dbraw/zinc/48/45/73/387484573.db2.gz KJQHTQPWJPIGFR-AVGNSLFASA-N 2 0 226.364 1.397 20 0 BDADRP CC[C@@H](COC)[NH2+]CCC1CC[NH+](C)CC1 ZINC000122142467 387488535 /nfs/dbraw/zinc/48/85/35/387488535.db2.gz VIZYTPKJAYORRX-ZDUSSCGKSA-N 2 0 228.380 1.733 20 0 BDADRP CCC1(O)CCC([NH2+][C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000643474163 387488861 /nfs/dbraw/zinc/48/88/61/387488861.db2.gz LGMZRBFJWQJLLW-OKZRHMCRSA-N 2 0 228.380 1.786 20 0 BDADRP CCC1(O)CCC([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000643474216 387489488 /nfs/dbraw/zinc/48/94/88/387489488.db2.gz PPQNSJKCYLOKQE-RJZJGCCBSA-N 2 0 240.391 1.800 20 0 BDADRP C[C@H](c1ccccc1)[C@@H](CO)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000643474455 387491597 /nfs/dbraw/zinc/49/15/97/387491597.db2.gz PLFDAOFLLPBVCR-TYNCELHUSA-N 2 0 248.370 1.349 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]1F)[C@@H]1CCC[NH2+]C1 ZINC000643491334 387585461 /nfs/dbraw/zinc/58/54/61/387585461.db2.gz PTBMRXCRDDZHCS-WHOHXGKFSA-N 2 0 214.328 1.855 20 0 BDADRP COC(CN1CCC[C@@H]([NH+](C)C)CC1)OC ZINC000375934880 387595330 /nfs/dbraw/zinc/59/53/30/387595330.db2.gz XUQOKOQALRFWIK-LLVKDONJSA-N 2 0 230.352 1.021 20 0 BDADRP C[N@H+](CCn1ccnc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367217216 387595505 /nfs/dbraw/zinc/59/55/05/387595505.db2.gz KJHPBICNOMPOBB-PBWFPOADSA-N 2 0 248.374 1.440 20 0 BDADRP C1CC2(C1)[NH2+]CC[C@@H]2[NH2+]C1CCOCC1 ZINC000527532278 387597704 /nfs/dbraw/zinc/59/77/04/387597704.db2.gz LKJCETZISIPUJS-NSHDSACASA-N 2 0 210.321 1.040 20 0 BDADRP C([NH2+][C@H]1CC[NH2+]C12CCC2)[C@H]1CCCOC1 ZINC000527532324 387599241 /nfs/dbraw/zinc/59/92/41/387599241.db2.gz MZTJGXATYXJTDM-NEPJUHHUSA-N 2 0 224.348 1.287 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](CC[C@@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000422637599 387611055 /nfs/dbraw/zinc/61/10/55/387611055.db2.gz OZXCOXLNWNRUJM-ZOBORPQBSA-N 3 0 239.407 1.291 20 0 BDADRP CC[C@@H]([NH2+]C[C@H](C)COC)[C@@H]1CCC[NH2+]1 ZINC000422701482 387614726 /nfs/dbraw/zinc/61/47/26/387614726.db2.gz IQWIPWKWOFRSMM-TUAOUCFPSA-N 2 0 214.353 1.389 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@H+](CCCn2ccnc2)C1 ZINC000124471847 387619181 /nfs/dbraw/zinc/61/91/81/387619181.db2.gz UVZHBBMFDCODLH-ZDUSSCGKSA-N 3 0 236.363 1.157 20 0 BDADRP Cn1cc(CC[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cn1 ZINC000422708689 387622437 /nfs/dbraw/zinc/62/24/37/387622437.db2.gz CFWFEBROOFPOKK-STQMWFEESA-N 2 0 236.363 1.212 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)CCO1 ZINC000527533828 387624343 /nfs/dbraw/zinc/62/43/43/387624343.db2.gz VYQBRXLQBRAFMR-WOPDTQHZSA-N 2 0 224.348 1.428 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCOCC2CC2)C1 ZINC000430537814 387624809 /nfs/dbraw/zinc/62/48/09/387624809.db2.gz HXSOEDTZCCEANX-WCQYABFASA-N 2 0 226.364 1.472 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000305111204 387555942 /nfs/dbraw/zinc/55/59/42/387555942.db2.gz CZMNGSKMQOQLFI-BFHYXJOUSA-N 2 0 242.407 1.715 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422716140 387627521 /nfs/dbraw/zinc/62/75/21/387627521.db2.gz UCDUCNDOZORFLL-KWCYVHTRSA-N 2 0 242.407 1.761 20 0 BDADRP C[C@H](CN[C@H](C)C[C@H](C)[NH3+])C[NH+]1CCCC1 ZINC000422720978 387633416 /nfs/dbraw/zinc/63/34/16/387633416.db2.gz NARVEVKYKJGRKB-FRRDWIJNSA-N 2 0 227.396 1.434 20 0 BDADRP COCCC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422728111 387635500 /nfs/dbraw/zinc/63/55/00/387635500.db2.gz FCELTJWXGUMGNR-GHMZBOCLSA-N 2 0 200.326 1.273 20 0 BDADRP CC[NH+](CC)CCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422732455 387640011 /nfs/dbraw/zinc/64/00/11/387640011.db2.gz PXSLFPIKAPOJOD-PBWFPOADSA-N 2 0 239.407 1.591 20 0 BDADRP CCOCCC[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422732289 387641084 /nfs/dbraw/zinc/64/10/84/387641084.db2.gz PMFYYGBORFSVHG-RYUDHWBXSA-N 2 0 214.353 1.533 20 0 BDADRP C[C@H](C[NH2+]C1CCC(C[NH3+])CC1)N(C)C ZINC000422734315 387643284 /nfs/dbraw/zinc/64/32/84/387643284.db2.gz CJHQOARGFLVSKH-VOMCLLRMSA-N 2 0 213.369 1.044 20 0 BDADRP CCCNC(=O)CC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422736157 387643314 /nfs/dbraw/zinc/64/33/14/387643314.db2.gz XNMVFBZWGGAQNB-UHFFFAOYSA-N 2 0 241.379 1.010 20 0 BDADRP C[C@H](CN[C@H]1CCCCC[C@H]1[NH3+])[NH+](C)C ZINC000422738127 387645562 /nfs/dbraw/zinc/64/55/62/387645562.db2.gz JFKKLBQDBMCVRH-UTUOFQBUSA-N 2 0 213.369 1.186 20 0 BDADRP C[C@@H](CN[C@@H](C)c1c[nH+]ccc1N)[NH+](C)C ZINC000422745672 387648383 /nfs/dbraw/zinc/64/83/83/387648383.db2.gz VLKFOADZNOEVLE-UWVGGRQHSA-N 2 0 222.336 1.095 20 0 BDADRP Cc1n[nH]cc1[C@@H](C)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000643518106 387648496 /nfs/dbraw/zinc/64/84/96/387648496.db2.gz FXWRUZRGDMGQTE-SNVBAGLBSA-N 2 0 236.363 1.758 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCc1ccccc1 ZINC000422740589 387648939 /nfs/dbraw/zinc/64/89/39/387648939.db2.gz CBNMVLLNFLRMAR-AEGPPILISA-N 2 0 248.370 1.571 20 0 BDADRP COCCC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000149255452 387650314 /nfs/dbraw/zinc/65/03/14/387650314.db2.gz XGKDXODWOBUAQE-QWRGUYRKSA-N 2 0 200.326 1.095 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCCO1 ZINC000422748976 387652711 /nfs/dbraw/zinc/65/27/11/387652711.db2.gz WXQAPKIGNZUZBM-UTUOFQBUSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000422748164 387652934 /nfs/dbraw/zinc/65/29/34/387652934.db2.gz SHCUHOUMYXMPQV-YUTCNCBUSA-N 2 0 234.343 1.529 20 0 BDADRP CC[NH+](CC)CCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422749166 387653160 /nfs/dbraw/zinc/65/31/60/387653160.db2.gz XVQLAJUOQMCNEJ-QWHCGFSZSA-N 2 0 227.396 1.306 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCOc1ccccc1 ZINC000422750165 387655300 /nfs/dbraw/zinc/65/53/00/387655300.db2.gz CHYNOLWQAVYKMQ-NWDGAFQWSA-N 2 0 222.332 1.781 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCOc1ccccc1 ZINC000422750163 387655352 /nfs/dbraw/zinc/65/53/52/387655352.db2.gz CHYNOLWQAVYKMQ-NEPJUHHUSA-N 2 0 222.332 1.781 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@H]1CCCCC[C@H]1[NH3+] ZINC000422750337 387655692 /nfs/dbraw/zinc/65/56/92/387655692.db2.gz CTWLYAKQRNDCEE-MCIONIFRSA-N 2 0 239.407 1.720 20 0 BDADRP CSCCC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422749785 387656758 /nfs/dbraw/zinc/65/67/58/387656758.db2.gz AXHGXFSAOVTZDJ-QWRGUYRKSA-N 2 0 216.394 1.717 20 0 BDADRP C[NH+](C)C1(CN[C@H]2CCC[C@@H]2[NH3+])CCCCC1 ZINC000422754434 387658201 /nfs/dbraw/zinc/65/82/01/387658201.db2.gz JPBQLAYVDAAEJM-STQMWFEESA-N 2 0 239.407 1.720 20 0 BDADRP Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000422753268 387658626 /nfs/dbraw/zinc/65/86/26/387658626.db2.gz FYHSSXNBZVJJET-NWANDNLSSA-N 2 0 248.370 1.837 20 0 BDADRP CC[N@H+](CCNC(=O)C1([NH3+])CCCC1)C(C)C ZINC000430900543 387658827 /nfs/dbraw/zinc/65/88/27/387658827.db2.gz QDENPOCGWVQUQY-UHFFFAOYSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCOc1ccccc1F ZINC000422757843 387660703 /nfs/dbraw/zinc/66/07/03/387660703.db2.gz NAYJHMGBSYNUMY-MNOVXSKESA-N 2 0 240.322 1.920 20 0 BDADRP C[C@H]([NH2+]C[C@H](CO)Cc1ccccc1)C1C[NH2+]C1 ZINC000422759711 387660948 /nfs/dbraw/zinc/66/09/48/387660948.db2.gz LFHFYRDYKNECRZ-GXTWGEPZSA-N 2 0 248.370 1.035 20 0 BDADRP CSCCC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422757837 387661441 /nfs/dbraw/zinc/66/14/41/387661441.db2.gz NAEGPGOQEGBXJS-QWRGUYRKSA-N 2 0 216.394 1.989 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H](O)CC(C)(C)C ZINC000422757658 387661736 /nfs/dbraw/zinc/66/17/36/387661736.db2.gz ISIUTWDVDAVSSD-AXFHLTTASA-N 2 0 216.369 1.499 20 0 BDADRP CC(C)OCCC[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430933513 387662569 /nfs/dbraw/zinc/66/25/69/387662569.db2.gz LEIISMGHDXMKLB-LBPRGKRZSA-N 2 0 228.380 1.861 20 0 BDADRP Cc1cnc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cn1 ZINC000430930001 387663229 /nfs/dbraw/zinc/66/32/29/387663229.db2.gz ZBBZFKHAWXPICF-UHFFFAOYSA-N 2 0 246.358 1.361 20 0 BDADRP CSC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422761649 387663865 /nfs/dbraw/zinc/66/38/65/387663865.db2.gz RJBWHZXJRHAWSI-NFLHVTIKSA-N 2 0 214.378 1.611 20 0 BDADRP CC(C)[NH+](CCN[C@H]1CCC[C@H]1[NH3+])C(C)C ZINC000422765989 387664850 /nfs/dbraw/zinc/66/48/50/387664850.db2.gz WUAGWZLRVJGJIQ-OLZOCXBDSA-N 2 0 227.396 1.575 20 0 BDADRP Cc1ccccc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000422764855 387666435 /nfs/dbraw/zinc/66/64/35/387666435.db2.gz OPYGIDLVZYROAJ-VHDGCEQUSA-N 2 0 248.370 1.837 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCOC1CCCC1 ZINC000422766512 387668306 /nfs/dbraw/zinc/66/83/06/387668306.db2.gz QEMYJKZVBHXPLE-JSGCOSHPSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1NCC[NH+]1CCCC1 ZINC000422767779 387668605 /nfs/dbraw/zinc/66/86/05/387668605.db2.gz ROCLQIZQQOQHLI-OLZOCXBDSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCn1cnc2ccccc21 ZINC000422772153 387670203 /nfs/dbraw/zinc/67/02/03/387670203.db2.gz YXGCTWPWRGRIDU-NEPJUHHUSA-N 2 0 246.358 1.752 20 0 BDADRP CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422794274 387696072 /nfs/dbraw/zinc/69/60/72/387696072.db2.gz UARBJPZRCIHBDT-FIQHERPVSA-N 2 0 214.353 1.659 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH2+]CC2)C12CCC2 ZINC000422779438 387678497 /nfs/dbraw/zinc/67/84/97/387678497.db2.gz ISXZPFKVGDOLKA-CHWSQXEVSA-N 2 0 238.375 1.676 20 0 BDADRP CC[C@H]([NH2+]CCCOCC1CC1)[C@@H]1CCC[NH2+]1 ZINC000422778868 387679355 /nfs/dbraw/zinc/67/93/55/387679355.db2.gz FFNUYPBMCVTKIJ-KBPBESRZSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCCOCC1CC1 ZINC000422782235 387680126 /nfs/dbraw/zinc/68/01/26/387680126.db2.gz JPLHJQIFPTWLDH-TZMCWYRMSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)NCCC[NH+]1CCCC1 ZINC000422781735 387680248 /nfs/dbraw/zinc/68/02/48/387680248.db2.gz IZGMVTSKLXFRJU-VXGBXAGGSA-N 2 0 213.369 1.188 20 0 BDADRP COC[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)C(C)C ZINC000126362790 387681322 /nfs/dbraw/zinc/68/13/22/387681322.db2.gz OQFXKPBXWNCVBU-TZMCWYRMSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cnn(C)c1 ZINC000044517172 387686392 /nfs/dbraw/zinc/68/63/92/387686392.db2.gz AMMXFQNLPSNGTG-LLVKDONJSA-N 2 0 236.363 1.413 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)Cc1ccccc1F)C1C[NH2+]C1 ZINC000422744474 387690435 /nfs/dbraw/zinc/69/04/35/387690435.db2.gz WDCKTYUMNSXSRG-WDEREUQCSA-N 2 0 236.334 1.954 20 0 BDADRP CCOC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000044690633 387691705 /nfs/dbraw/zinc/69/17/05/387691705.db2.gz INOFYHHNEKSBIL-ODWCKFRGSA-N 2 0 226.364 1.626 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CC[C@H](CCCO)C1 ZINC000452116640 387744897 /nfs/dbraw/zinc/74/48/97/387744897.db2.gz HAFLWLVAAPJNBT-AWEZNQCLSA-N 2 0 242.407 1.813 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000422865255 387746959 /nfs/dbraw/zinc/74/69/59/387746959.db2.gz XLJYWPBHQOPLDY-YNEHKIRRSA-N 2 0 239.407 1.719 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000422865253 387746987 /nfs/dbraw/zinc/74/69/87/387746987.db2.gz XLJYWPBHQOPLDY-RWMBFGLXSA-N 2 0 239.407 1.719 20 0 BDADRP C[C@H](NCC[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422871386 387749629 /nfs/dbraw/zinc/74/96/29/387749629.db2.gz ZYKKWJFGZYPKMM-RDBSUJKOSA-N 2 0 239.407 1.448 20 0 BDADRP CC[C@@H](CCO)C[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422871629 387750570 /nfs/dbraw/zinc/75/05/70/387750570.db2.gz ZGFFYNXRPKUBTP-AVGNSLFASA-N 2 0 228.380 1.515 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422868172 387750580 /nfs/dbraw/zinc/75/05/80/387750580.db2.gz UNGZQNWPYMNSAN-XQQFMLRXSA-N 2 0 228.380 1.373 20 0 BDADRP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)[C@@H]1CC12CC2 ZINC000527845846 387752351 /nfs/dbraw/zinc/75/23/51/387752351.db2.gz AKHWNXNAPDCSMO-AVGNSLFASA-N 2 0 238.375 1.221 20 0 BDADRP C[C@H](N[C@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1CCC[NH2+]1 ZINC000422873820 387753452 /nfs/dbraw/zinc/75/34/52/387753452.db2.gz BFVOKIRQKHPTGC-RFQIPJPRSA-N 2 0 237.391 1.343 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCS1 ZINC000422872842 387753491 /nfs/dbraw/zinc/75/34/91/387753491.db2.gz IVIJVLUYEPEJNU-AEJSXWLSSA-N 2 0 200.351 1.351 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C2CC([NH+](C)C)C2)CCO1 ZINC000521460742 387753738 /nfs/dbraw/zinc/75/37/38/387753738.db2.gz LELZDPJWMQDENI-QYNFOATHSA-N 2 0 212.337 1.236 20 0 BDADRP CC[N@H+](CCN[C@@H]1CCCC[C@H]1C[NH3+])C(C)C ZINC000422878977 387754465 /nfs/dbraw/zinc/75/44/65/387754465.db2.gz LPEDEWGNDTXWPK-UONOGXRCSA-N 2 0 241.423 1.824 20 0 BDADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000422879895 387754763 /nfs/dbraw/zinc/75/47/63/387754763.db2.gz WBSISLKSWHPWSO-RFHZTLPTSA-N 2 0 237.391 1.186 20 0 BDADRP Cc1ccc(C[NH2+][C@H](C)C2C[NH2+]C2)cc1F ZINC000422798991 387698485 /nfs/dbraw/zinc/69/84/85/387698485.db2.gz UOTPHNPEAGXFOA-SNVBAGLBSA-N 2 0 222.307 1.832 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+]CC2=CC[NH2+]CC2)C1 ZINC000643520454 387700567 /nfs/dbraw/zinc/70/05/67/387700567.db2.gz KMDDXDACBLNCIJ-OLZOCXBDSA-N 2 0 224.348 1.453 20 0 BDADRP CCC(CC)(CCO)C[NH2+][C@H](C)CCC[NH3+] ZINC000422806052 387704693 /nfs/dbraw/zinc/70/46/93/387704693.db2.gz HREKBUJSQKQNCA-GFCCVEGCSA-N 2 0 230.396 1.892 20 0 BDADRP CO[C@@H](C[NH2+][C@H](C)CCC[NH3+])C(C)(C)C ZINC000422806609 387705624 /nfs/dbraw/zinc/70/56/24/387705624.db2.gz IMKZEYKXDCKMQL-MNOVXSKESA-N 2 0 216.369 1.765 20 0 BDADRP CC(C)CCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000422806257 387706124 /nfs/dbraw/zinc/70/61/24/387706124.db2.gz NESQBVUSSQOWSI-JHJVBQTASA-N 2 0 228.380 1.765 20 0 BDADRP CC(C)C[C@@H](CCO)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422805521 387706518 /nfs/dbraw/zinc/70/65/18/387706518.db2.gz JGVRGZYESFFZFT-MJBXVCDLSA-N 2 0 242.407 1.761 20 0 BDADRP CC[NH+](CC)CC(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000356739171 387712036 /nfs/dbraw/zinc/71/20/36/387712036.db2.gz JMCGQOIQMWFUKV-GFCCVEGCSA-N 2 0 243.395 1.173 20 0 BDADRP CC[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)C1CCOCC1 ZINC000422816307 387715705 /nfs/dbraw/zinc/71/57/05/387715705.db2.gz ZLQZQZPMFRMQSN-BNOWGMLFSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCCSC1)[C@@H]1CCC[NH2+]1 ZINC000422818601 387717163 /nfs/dbraw/zinc/71/71/63/387717163.db2.gz KYAVVZFGFCDWJD-MXWKQRLJSA-N 2 0 214.378 1.612 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+][C@H]1CCCSC1 ZINC000422821191 387717527 /nfs/dbraw/zinc/71/75/27/387717527.db2.gz UXJSWDFBCJHCGZ-IVZWLZJFSA-N 2 0 200.351 1.351 20 0 BDADRP C[C@H]([NH3+])[C@H](C)C(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000367513877 387718553 /nfs/dbraw/zinc/71/85/53/387718553.db2.gz OUFPHNUJIJWSLG-UWVGGRQHSA-N 2 0 247.342 1.254 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CCCC[C@@H]1O ZINC000422824349 387720541 /nfs/dbraw/zinc/72/05/41/387720541.db2.gz NPIOWDSUJSOMAF-YIYPIFLZSA-N 2 0 240.391 1.645 20 0 BDADRP C[C@H](C[NH+]1CCCCC1)N[C@H](C)C1C[NH2+]C1 ZINC000422829710 387722184 /nfs/dbraw/zinc/72/21/84/387722184.db2.gz HSHTVWODOPKVJY-VXGBXAGGSA-N 2 0 225.380 1.058 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCCOC1CCCC1 ZINC000422829988 387723778 /nfs/dbraw/zinc/72/37/78/387723778.db2.gz QJILUEBQQMQREV-OLZOCXBDSA-N 2 0 226.364 1.805 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1nccs1 ZINC000422839819 387729028 /nfs/dbraw/zinc/72/90/28/387729028.db2.gz RMFKMTXRUZIBNA-MNOVXSKESA-N 2 0 239.388 1.663 20 0 BDADRP CCOCc1ccc(C[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000422838135 387729342 /nfs/dbraw/zinc/72/93/42/387729342.db2.gz WGBFAIPSMPDLOY-GFCCVEGCSA-N 2 0 248.370 1.921 20 0 BDADRP c1cnn(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000128007670 387732161 /nfs/dbraw/zinc/73/21/61/387732161.db2.gz GDALCKUHQHPTJD-QWHCGFSZSA-N 2 0 234.347 1.100 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000643523847 387733148 /nfs/dbraw/zinc/73/31/48/387733148.db2.gz BHRCSWZZHQFMBG-SWLSCSKDSA-N 3 0 245.370 1.507 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422848222 387733790 /nfs/dbraw/zinc/73/37/90/387733790.db2.gz ANPOWYNTOGCRMZ-AGIUHOORSA-N 2 0 228.380 1.645 20 0 BDADRP C[N@H+](CCn1cccn1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367606283 387734265 /nfs/dbraw/zinc/73/42/65/387734265.db2.gz VYIHFUQERQJGFT-PBWFPOADSA-N 2 0 248.374 1.440 20 0 BDADRP Cn1cc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000128074895 387735819 /nfs/dbraw/zinc/73/58/19/387735819.db2.gz ZMGNWTREFRXLQG-ZIAGYGMSSA-N 2 0 248.374 1.179 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C)C1 ZINC000643524445 387737534 /nfs/dbraw/zinc/73/75/34/387737534.db2.gz FSQJFAUZUMRQPA-WUHRBBMRSA-N 2 0 226.364 1.532 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C)C1 ZINC000643524446 387738022 /nfs/dbraw/zinc/73/80/22/387738022.db2.gz FSQJFAUZUMRQPA-XQHKEYJVSA-N 2 0 226.364 1.532 20 0 BDADRP CCN(CC[NH2+][C@@H](C)[C@@H]1CCCOC1)C1CC1 ZINC000356898123 387740727 /nfs/dbraw/zinc/74/07/27/387740727.db2.gz MRXGKFQJJIYGFC-QWHCGFSZSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[N@@H+]1C1CC1 ZINC000422858606 387741486 /nfs/dbraw/zinc/74/14/86/387741486.db2.gz GPZVDXRVTLXRIV-BEUHCMRWSA-N 2 0 249.402 1.484 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCOCC1CC1 ZINC000422892691 387762189 /nfs/dbraw/zinc/76/21/89/387762189.db2.gz ZHBINUHDIVJLOG-OLZOCXBDSA-N 2 0 226.364 1.663 20 0 BDADRP C[C@H]([NH3+])C[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000643527387 387763597 /nfs/dbraw/zinc/76/35/97/387763597.db2.gz LZCIKTYABCDMAI-WUHRBBMRSA-N 2 0 226.364 1.519 20 0 BDADRP CCC[C@@H](C(=O)N(C)CC(C)(C)C[NH3+])[NH+](C)C ZINC000422895052 387766473 /nfs/dbraw/zinc/76/64/73/387766473.db2.gz VDALUNRNKOBUKT-NSHDSACASA-N 2 0 243.395 1.160 20 0 BDADRP C[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000643527641 387768014 /nfs/dbraw/zinc/76/80/14/387768014.db2.gz PWOLDJNUGDKCFX-ZDEQEGDKSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@H]([NH3+])CN[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000643528923 387772782 /nfs/dbraw/zinc/77/27/82/387772782.db2.gz QVJVRDCYEFOLPG-VNHYZAJKSA-N 2 0 247.386 1.444 20 0 BDADRP CC(C)N1C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])CC1=O ZINC000422918989 387775359 /nfs/dbraw/zinc/77/53/59/387775359.db2.gz JIWZYBISKGCPBW-RYUDHWBXSA-N 2 0 241.379 1.103 20 0 BDADRP C[C@H]([NH3+])CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000643529911 387776754 /nfs/dbraw/zinc/77/67/54/387776754.db2.gz WBBGUIQOXOPQKN-UWJYBYFXSA-N 2 0 205.305 1.068 20 0 BDADRP C[C@H](CCCc1cccnc1)[NH2+]C[C@H](C)[NH3+] ZINC000643529717 387777241 /nfs/dbraw/zinc/77/72/41/387777241.db2.gz QIBALCDLDYVPFS-NWDGAFQWSA-N 2 0 221.348 1.730 20 0 BDADRP Cc1cccc(NCC[NH2+][C@H]2CCC[C@H]2C[NH3+])n1 ZINC000422923079 387778265 /nfs/dbraw/zinc/77/82/65/387778265.db2.gz VCTQIACFEKLIQI-STQMWFEESA-N 2 0 248.374 1.519 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422926353 387778842 /nfs/dbraw/zinc/77/88/42/387778842.db2.gz WNIOBPKSTWNCAH-YNEHKIRRSA-N 2 0 228.380 1.787 20 0 BDADRP CN(C)C(=O)CCC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422931436 387781066 /nfs/dbraw/zinc/78/10/66/387781066.db2.gz BRTKOBKKBWFLCF-VXGBXAGGSA-N 2 0 241.379 1.104 20 0 BDADRP CCC1(CC)[C@H]([NH2+]C2CC[NH2+]CC2)C[C@@H]1OC ZINC000422934878 387782427 /nfs/dbraw/zinc/78/24/27/387782427.db2.gz GOQKXDNMOALMKY-OLZOCXBDSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCOc1ccc(F)cc1 ZINC000422945031 387784903 /nfs/dbraw/zinc/78/49/03/387784903.db2.gz SZECKZUJAIQBSM-WDEREUQCSA-N 2 0 240.322 1.920 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)C[C@H]1CCCO1 ZINC000422899980 387786438 /nfs/dbraw/zinc/78/64/38/387786438.db2.gz IPPXQPKUJRDLEG-IJLUTSLNSA-N 2 0 214.353 1.661 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CCC[NH3+])C1 ZINC000422977312 387789036 /nfs/dbraw/zinc/78/90/36/387789036.db2.gz WQFYUERHUQCIQZ-QWHCGFSZSA-N 3 0 227.396 1.435 20 0 BDADRP CCC[C@@](C)(O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422979930 387791101 /nfs/dbraw/zinc/79/11/01/387791101.db2.gz NWODOTDTLBAIEK-ZGVCCVRISA-N 2 0 226.364 1.410 20 0 BDADRP CC(C)CC[C@](C)(O)C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000422982243 387793074 /nfs/dbraw/zinc/79/30/74/387793074.db2.gz WHXOGHJOLULUJC-RDBSUJKOSA-N 2 0 242.407 1.891 20 0 BDADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1(O)CCC1 ZINC000422982744 387793364 /nfs/dbraw/zinc/79/33/64/387793364.db2.gz XUAAHEKXQDVHQP-TZMCWYRMSA-N 2 0 248.370 1.450 20 0 BDADRP CC(C)N1C[C@@H](C)[C@H]([NH2+][C@H](C)CCC[NH3+])C1 ZINC000422987104 387795069 /nfs/dbraw/zinc/79/50/69/387795069.db2.gz FFAGDCFJLOKWBK-JHJVBQTASA-N 2 0 227.396 1.432 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1ccc(O)cc1 ZINC000422985313 387795193 /nfs/dbraw/zinc/79/51/93/387795193.db2.gz DBTFGLGSXWIEMK-IUODEOHRSA-N 2 0 248.370 1.912 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)NC1CC[NH+](C(C)(C)C)CC1 ZINC000422986782 387796049 /nfs/dbraw/zinc/79/60/49/387796049.db2.gz HIDZAGVAWDWGBS-VXGBXAGGSA-N 2 0 241.423 1.965 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CN(C)C[C@H]1C ZINC000422994212 387803540 /nfs/dbraw/zinc/80/35/40/387803540.db2.gz UXAGCQBLODCKIG-UTUOFQBUSA-N 2 0 213.369 1.044 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCSCCCO)CC[N@@H+]1C ZINC000151180195 387803718 /nfs/dbraw/zinc/80/37/18/387803718.db2.gz ZDAVWRCUUHIYIW-VXGBXAGGSA-N 2 0 246.420 1.174 20 0 BDADRP CCC[C@H](CCO)C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000423001209 387805859 /nfs/dbraw/zinc/80/58/59/387805859.db2.gz DFBIMXZPCZHSHJ-UTUOFQBUSA-N 2 0 214.353 1.255 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)[C@H]1CCC[NH2+]C1 ZINC000422950581 387806508 /nfs/dbraw/zinc/80/65/08/387806508.db2.gz YKDGVDDMLHQQIU-WHOHXGKFSA-N 2 0 212.337 1.142 20 0 BDADRP Cc1ccccc1OCC[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422949133 387807674 /nfs/dbraw/zinc/80/76/74/387807674.db2.gz SXEAOARCCSPUHE-QWHCGFSZSA-N 2 0 234.343 1.843 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCNc1ccccn1 ZINC000423001945 387808163 /nfs/dbraw/zinc/80/81/63/387808163.db2.gz FJARAAIDSJSRCF-OLZOCXBDSA-N 2 0 248.374 1.601 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000442603002 387808628 /nfs/dbraw/zinc/80/86/28/387808628.db2.gz JOYDQIZOSOJPLL-NEPJUHHUSA-N 2 0 241.379 1.091 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@@H]1CC[C@@H](C)CC1 ZINC000422955121 387809225 /nfs/dbraw/zinc/80/92/25/387809225.db2.gz IRIVEFQYRXZPOH-HTVCTNPSSA-N 2 0 240.391 1.907 20 0 BDADRP COc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422882845 387758129 /nfs/dbraw/zinc/75/81/29/387758129.db2.gz BDNVYGYGJCVLEJ-HZMBPMFUSA-N 2 0 246.354 1.880 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000422882700 387758277 /nfs/dbraw/zinc/75/82/77/387758277.db2.gz SSLRZJSKYPDBMZ-MNOVXSKESA-N 2 0 243.395 1.240 20 0 BDADRP COc1cccc2c1CC[C@@H]2[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422882848 387758485 /nfs/dbraw/zinc/75/84/85/387758485.db2.gz BDNVYGYGJCVLEJ-YGRLFVJLSA-N 2 0 246.354 1.880 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CCN1[C@@H](C)CCC[C@@H]1C ZINC000422888325 387759107 /nfs/dbraw/zinc/75/91/07/387759107.db2.gz MRAHAVHSCPRMSY-RDBSUJKOSA-N 2 0 241.423 1.966 20 0 BDADRP CC[N@H+](CCN[C@H](C)C[C@H](C)[NH3+])C(C)C ZINC000422885141 387760390 /nfs/dbraw/zinc/76/03/90/387760390.db2.gz YFPJQLNOBOYSDG-NWDGAFQWSA-N 2 0 215.385 1.432 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCOc2ccccc21)C1C[NH2+]C1 ZINC000422885826 387760907 /nfs/dbraw/zinc/76/09/07/387760907.db2.gz HGVHOOJLPGINFJ-NWDGAFQWSA-N 2 0 246.354 1.750 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)[C@H]1CCC[NH2+]1 ZINC000422887636 387761362 /nfs/dbraw/zinc/76/13/62/387761362.db2.gz LDBZJGHUGZUBTD-RYMFRWLXSA-N 2 0 238.375 1.674 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000422887896 387761417 /nfs/dbraw/zinc/76/14/17/387761417.db2.gz LPWKZSLJCCYRNH-RFQIPJPRSA-N 2 0 241.423 1.965 20 0 BDADRP CCC(O)(CC)C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422972179 387821284 /nfs/dbraw/zinc/82/12/84/387821284.db2.gz KSIGBEMINSCQBX-RYUDHWBXSA-N 2 0 228.380 1.515 20 0 BDADRP CCCC(O)(CCC)C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422975006 387822827 /nfs/dbraw/zinc/82/28/27/387822827.db2.gz GCCUQIVGAIJADV-VXGBXAGGSA-N 2 0 228.380 1.787 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000423004262 387825861 /nfs/dbraw/zinc/82/58/61/387825861.db2.gz JKGHPAVXUXXRDP-DGAVXFQQSA-N 2 0 240.391 1.787 20 0 BDADRP CCOCCC1(C[NH2+][C@@H](C)CCC[NH3+])CC1 ZINC000423004197 387826710 /nfs/dbraw/zinc/82/67/10/387826710.db2.gz OMPLEXGYDLMXBB-LBPRGKRZSA-N 2 0 228.380 1.910 20 0 BDADRP CC[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)[C@@H]1CCC[NH2+]1 ZINC000423006907 387828173 /nfs/dbraw/zinc/82/81/73/387828173.db2.gz PKZGIRJODPOWMZ-SYQHCUMBSA-N 2 0 240.391 1.658 20 0 BDADRP CC[C@H](C[C@@H](C)CO)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423007120 387828630 /nfs/dbraw/zinc/82/86/30/387828630.db2.gz PVGOYGPEICNXID-FDYHWXHSSA-N 2 0 228.380 1.514 20 0 BDADRP CC[C@H]([NH2+]C[C@H](C)CCO)[C@@H]1CCC[NH2+]1 ZINC000423007131 387829229 /nfs/dbraw/zinc/82/92/29/387829229.db2.gz PWHZFMHQEOVSKP-WOPDTQHZSA-N 2 0 214.353 1.125 20 0 BDADRP CC[C@H](C[C@@H](C)CO)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423007127 387829409 /nfs/dbraw/zinc/82/94/09/387829409.db2.gz PVGOYGPEICNXID-YVECIDJPSA-N 2 0 228.380 1.514 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)[C@H]1CCCC[NH2+]1 ZINC000423005222 387829489 /nfs/dbraw/zinc/82/94/89/387829489.db2.gz LXYUMJQNINQUKO-AAVRWANBSA-N 2 0 240.391 1.658 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCc1ccncc1 ZINC000423007154 387830025 /nfs/dbraw/zinc/83/00/25/387830025.db2.gz QAENYUXSQPBXEA-KGLIPLIRSA-N 2 0 233.359 1.874 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CCc1c[nH]c2ncccc12 ZINC000423008064 387831531 /nfs/dbraw/zinc/83/15/31/387831531.db2.gz ZFKWQOKQISQMKY-NSHDSACASA-N 2 0 246.358 1.822 20 0 BDADRP CC(C)CSCC[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000423010053 387833506 /nfs/dbraw/zinc/83/35/06/387833506.db2.gz FRQZYVHOYCZTGK-JTQLQIEISA-N 2 0 216.394 1.573 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCNc1ccccn1 ZINC000423009635 387833742 /nfs/dbraw/zinc/83/37/42/387833742.db2.gz WBYIAJVCMMKAHR-RYUDHWBXSA-N 2 0 234.347 1.211 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]Cc1cccc(N(C)C)n1 ZINC000423011295 387833789 /nfs/dbraw/zinc/83/37/89/387833789.db2.gz IORWHDCABAOKJI-LLVKDONJSA-N 2 0 236.363 1.365 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)[C@H]1CCCCO1 ZINC000643479110 387834458 /nfs/dbraw/zinc/83/44/58/387834458.db2.gz RAILPWMEATYOJL-RFQIPJPRSA-N 2 0 240.391 1.922 20 0 BDADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423013152 387836264 /nfs/dbraw/zinc/83/62/64/387836264.db2.gz FFENVEBAYRSRKQ-YIYPIFLZSA-N 2 0 240.391 1.922 20 0 BDADRP CO[C@@H]1CCC[C@H]1C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423013150 387836461 /nfs/dbraw/zinc/83/64/61/387836461.db2.gz FFENVEBAYRSRKQ-XJFOESAGSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cccc(N(C)C)n1 ZINC000423015959 387838471 /nfs/dbraw/zinc/83/84/71/387838471.db2.gz RYLNROVSSUHYDC-GHMZBOCLSA-N 2 0 236.363 1.363 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)cn1 ZINC000423018915 387840514 /nfs/dbraw/zinc/84/05/14/387840514.db2.gz SKAZJPMEVAGXQO-CABZTGNLSA-N 2 0 239.750 1.952 20 0 BDADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000423018724 387841736 /nfs/dbraw/zinc/84/17/36/387841736.db2.gz RZLZJCGRXWLNDJ-AAVRWANBSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(Cl)cn1 ZINC000423018958 387842109 /nfs/dbraw/zinc/84/21/09/387842109.db2.gz SPYNZMFCQBGISQ-SECBINFHSA-N 2 0 227.739 1.952 20 0 BDADRP CN(C)c1cccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000423017019 387842225 /nfs/dbraw/zinc/84/22/25/387842225.db2.gz VGHXZAWHLRIZJO-WCQYABFASA-N 2 0 248.374 1.365 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCN(C)[C@H]1C ZINC000423027511 387842982 /nfs/dbraw/zinc/84/29/82/387842982.db2.gz DJFPSAZITXEWRT-GRYCIOLGSA-N 2 0 213.369 1.186 20 0 BDADRP CCOC[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)C(C)C ZINC000423074062 387873748 /nfs/dbraw/zinc/87/37/48/387873748.db2.gz TVGSSFQMPUAVRL-JQWIXIFHSA-N 2 0 214.353 1.245 20 0 BDADRP C[C@@H](Cc1ccoc1)[NH2+][C@H]1CCCN(C)C1 ZINC000648432496 387844028 /nfs/dbraw/zinc/84/40/28/387844028.db2.gz OWPJCEXGNQBQNJ-AAEUAGOBSA-N 2 0 222.332 1.894 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCCS1 ZINC000423028579 387845185 /nfs/dbraw/zinc/84/51/85/387845185.db2.gz GUDBKGBICJHFHC-AXFHLTTASA-N 2 0 214.378 1.742 20 0 BDADRP CS[C@H](C[NH2+][C@@H](C)C1C[NH2+]C1)C(C)(C)C ZINC000423033664 387848542 /nfs/dbraw/zinc/84/85/42/387848542.db2.gz OVXVIXLUUAXSBF-GXSJLCMTSA-N 2 0 230.421 1.962 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000423073289 387873972 /nfs/dbraw/zinc/87/39/72/387873972.db2.gz ILRJBRDONHMLGS-OLZOCXBDSA-N 2 0 241.423 1.824 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000423036464 387850672 /nfs/dbraw/zinc/85/06/72/387850672.db2.gz UBNAFXKIAGYCOT-NOOOWODRSA-N 2 0 214.353 1.124 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CCOC1)[C@@H]1CCC[NH2+]1 ZINC000423036295 387850724 /nfs/dbraw/zinc/85/07/24/387850724.db2.gz TUDWYYXZFVCVKT-UTUOFQBUSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H]([NH2+]C[C@H](O)CCc1ccccc1)C1C[NH2+]C1 ZINC000423038388 387853370 /nfs/dbraw/zinc/85/33/70/387853370.db2.gz YPMYQUNTEZFXKD-SWLSCSKDSA-N 2 0 248.370 1.178 20 0 BDADRP Cn1ccc(CC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])n1 ZINC000423040327 387853871 /nfs/dbraw/zinc/85/38/71/387853871.db2.gz TXBDLDNHEMUURM-CHWSQXEVSA-N 2 0 236.363 1.212 20 0 BDADRP CC[C@H](CC(F)(F)F)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000423042297 387855062 /nfs/dbraw/zinc/85/50/62/387855062.db2.gz YYXKTORMOVPMHN-VXNVDRBHSA-N 2 0 224.270 1.915 20 0 BDADRP C[C@@H](C[NH+]1CCCCCC1)N[C@@H]1CC[NH2+]C1 ZINC000423045094 387855122 /nfs/dbraw/zinc/85/51/22/387855122.db2.gz BKOQHUXERASUAI-QWHCGFSZSA-N 2 0 225.380 1.202 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC000423042329 387856302 /nfs/dbraw/zinc/85/63/02/387856302.db2.gz KPKBOVWUEJUPMK-QJPTWQEYSA-N 2 0 212.337 1.415 20 0 BDADRP Cc1nccn1CC[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000235792357 387859759 /nfs/dbraw/zinc/85/97/59/387859759.db2.gz CBTMZVCGBROSMO-OLZOCXBDSA-N 2 0 235.331 1.349 20 0 BDADRP CC(C)C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)C1C[NH2+]C1 ZINC000423051458 387859798 /nfs/dbraw/zinc/85/97/98/387859798.db2.gz NJWHGJCFGRTCMQ-BNOWGMLFSA-N 2 0 240.391 1.778 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1COc2ccc(F)cc21 ZINC000423054365 387860682 /nfs/dbraw/zinc/86/06/82/387860682.db2.gz UQBXIEIXGUZZOX-CABZTGNLSA-N 2 0 238.306 1.976 20 0 BDADRP C[N@H+]1C[C@H]2CN(Cc3ccc(CO)cc3)C[C@H]2C1 ZINC000193652687 387860692 /nfs/dbraw/zinc/86/06/92/387860692.db2.gz LQKHYHRAXHNKGA-GASCZTMLSA-N 2 0 246.354 1.172 20 0 BDADRP CC(C)O[C@@H]1C[C@@H]([NH2+][C@H](C)C2C[NH2+]C2)C1(C)C ZINC000423051322 387860976 /nfs/dbraw/zinc/86/09/76/387860976.db2.gz NPDLLDHTEUTLDP-RAIGVLPGSA-N 2 0 240.391 1.776 20 0 BDADRP C/C=C/C[C@@H](CO)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423053693 387863290 /nfs/dbraw/zinc/86/32/90/387863290.db2.gz SHXITVUSIVOVQM-OQJDNYOGSA-N 2 0 226.364 1.421 20 0 BDADRP Cc1ccc(C[C@@H](CO)[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000423063599 387867168 /nfs/dbraw/zinc/86/71/68/387867168.db2.gz WQDJUFBAGYZNMX-WFASDCNBSA-N 2 0 248.370 1.096 20 0 BDADRP C[NH+](C)CCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000193940435 387868291 /nfs/dbraw/zinc/86/82/91/387868291.db2.gz QYEDONAEOUNJPX-JHJVBQTASA-N 2 0 238.375 1.485 20 0 BDADRP CCC(O)(CC)CC[NH2+][C@H](C)CCC[NH3+] ZINC000423071461 387871299 /nfs/dbraw/zinc/87/12/99/387871299.db2.gz OHGBCDDYUANXDA-LLVKDONJSA-N 2 0 216.369 1.645 20 0 BDADRP CC(C)[C@H]([NH2+][C@H](C)CCC[NH3+])C(C)(C)O ZINC000423069307 387871352 /nfs/dbraw/zinc/87/13/52/387871352.db2.gz DPYBVHJZKDGGFU-MNOVXSKESA-N 2 0 216.369 1.499 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000423071864 387871506 /nfs/dbraw/zinc/87/15/06/387871506.db2.gz GCNVRHCNGMCGJL-SGMGOOAPSA-N 2 0 239.407 1.719 20 0 BDADRP CC[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccn(C)n1 ZINC000643537039 387871701 /nfs/dbraw/zinc/87/17/01/387871701.db2.gz YISXSUGZUCESOL-AAEUAGOBSA-N 2 0 248.374 1.603 20 0 BDADRP CCCCNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433149658 387871722 /nfs/dbraw/zinc/87/17/22/387871722.db2.gz JPDCTCWRWLVHGW-UHFFFAOYSA-N 2 0 241.379 1.106 20 0 BDADRP C[C@H]([NH3+])CN(Cc1cccc(O)c1)CC1CC1 ZINC000442657241 387814145 /nfs/dbraw/zinc/81/41/45/387814145.db2.gz HDQTVBPLYCXOSS-NSHDSACASA-N 2 0 234.343 1.951 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCc1ccc(CO)cc1 ZINC000643478207 387814992 /nfs/dbraw/zinc/81/49/92/387814992.db2.gz FENOVRZHKWHHGT-NEPJUHHUSA-N 2 0 236.359 1.437 20 0 BDADRP Cc1ccccc1C[NH+]1CCN(C[C@H](C)[NH3+])CC1 ZINC000442656163 387815305 /nfs/dbraw/zinc/81/53/05/387815305.db2.gz DVZVIGRLLJZJDE-AWEZNQCLSA-N 2 0 247.386 1.460 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCCC(F)(F)F ZINC000422965971 387816855 /nfs/dbraw/zinc/81/68/55/387816855.db2.gz MKRUJKNYEMXBON-YUMQZZPRSA-N 2 0 210.243 1.798 20 0 BDADRP C[C@@H]([NH3+])CN(CCO)[C@@H]1CCCc2ccccc21 ZINC000442666880 387818903 /nfs/dbraw/zinc/81/89/03/387818903.db2.gz XDXAKVBDOTVARV-IUODEOHRSA-N 2 0 248.370 1.706 20 0 BDADRP COc1ccc(C[NH2+]C2CCC(C[NH3+])CC2)cn1 ZINC000422968739 387819414 /nfs/dbraw/zinc/81/94/14/387819414.db2.gz XKGIMSWRJRFDPQ-UHFFFAOYSA-N 2 0 249.358 1.697 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CC[C@@H](C)C1 ZINC000423105685 387891852 /nfs/dbraw/zinc/89/18/52/387891852.db2.gz ZHQFCQGEBQHTAS-IKOXMDCHSA-N 2 0 240.391 1.765 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cnn2ccccc12 ZINC000423106005 387892034 /nfs/dbraw/zinc/89/20/34/387892034.db2.gz OCVAHXJZCMTFES-GHMZBOCLSA-N 2 0 232.331 1.550 20 0 BDADRP C[C@H]([NH2+]C[C@H](CO)CC1CCCC1)C1C[NH2+]C1 ZINC000423105568 387892134 /nfs/dbraw/zinc/89/21/34/387892134.db2.gz QULBNGUEXVFMNO-WCQYABFASA-N 2 0 240.391 1.373 20 0 BDADRP OCCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000236503771 387893175 /nfs/dbraw/zinc/89/31/75/387893175.db2.gz XDBIIYXIJGNAKE-MELADBBJSA-N 2 0 240.391 1.659 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCCOC(F)F ZINC000423109512 387894235 /nfs/dbraw/zinc/89/42/35/387894235.db2.gz HKQBTLZGQFIBHT-UWVGGRQHSA-N 2 0 236.306 1.865 20 0 BDADRP C[C@H]1COCC[C@H]1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000423115897 387898923 /nfs/dbraw/zinc/89/89/23/387898923.db2.gz YYTCYYIMDFCFHV-AHPWVWPOSA-N 2 0 240.391 1.766 20 0 BDADRP CC(C)SCC[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000423115033 387895544 /nfs/dbraw/zinc/89/55/44/387895544.db2.gz WXYNCPLUZAMANO-VIFPVBQESA-N 2 0 202.367 1.326 20 0 BDADRP Cc1cccc(CCC[NH2+][C@@H]2CCC[C@H]2[NH3+])n1 ZINC000423112830 387896137 /nfs/dbraw/zinc/89/61/37/387896137.db2.gz YBPCIVIGPDDNGU-ZIAGYGMSSA-N 2 0 233.359 1.792 20 0 BDADRP CCCc1ncc(C[NH2+][C@@H](C)CCC[NH3+])o1 ZINC000423163743 387898231 /nfs/dbraw/zinc/89/82/31/387898231.db2.gz RPTALYRKIAJASJ-JTQLQIEISA-N 2 0 225.336 1.844 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H](C)c1cnc(C)s1 ZINC000629529769 387874978 /nfs/dbraw/zinc/87/49/78/387874978.db2.gz MLNDCNHMPRITRZ-SECBINFHSA-N 2 0 243.376 1.338 20 0 BDADRP C[C@@H]([NH2+]CCC1CC(O)C1)[C@H]1CCCC[NH2+]1 ZINC000423075869 387876592 /nfs/dbraw/zinc/87/65/92/387876592.db2.gz POOVNXKZWNCKFK-IKWCTNDRSA-N 2 0 226.364 1.268 20 0 BDADRP CCNC(=O)C1(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])CCC1 ZINC000423081222 387876714 /nfs/dbraw/zinc/87/67/14/387876714.db2.gz UQXLBKQMVNWPBB-MNOVXSKESA-N 2 0 241.379 1.008 20 0 BDADRP CO[C@H](CC[NH2+][C@@H](C)C[C@@H](C)[NH3+])C(F)(F)F ZINC000423076595 387876973 /nfs/dbraw/zinc/87/69/73/387876973.db2.gz ZJBXFETUMAQFDP-HRDYMLBCSA-N 2 0 242.285 1.669 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]CCC2CC(O)C2)c2ccccc21 ZINC000423078417 387876985 /nfs/dbraw/zinc/87/69/85/387876985.db2.gz VZZPAAKLNQNSRF-HBGGEXNNSA-N 2 0 246.354 1.882 20 0 BDADRP COCC[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)C(C)(C)C ZINC000423117598 387898393 /nfs/dbraw/zinc/89/83/93/387898393.db2.gz WERJHRHAEDFTMO-CMPLNLGQSA-N 2 0 228.380 1.635 20 0 BDADRP CSC1(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000423082703 387878245 /nfs/dbraw/zinc/87/82/45/387878245.db2.gz FPWRWKBSWNBVCS-GHMZBOCLSA-N 2 0 228.405 1.860 20 0 BDADRP COC(=O)[C@H]1CC[C@@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000423082134 387879086 /nfs/dbraw/zinc/87/90/86/387879086.db2.gz CQTKEKDRJPKCIV-WNYYMSAVSA-N 2 0 240.347 1.188 20 0 BDADRP CSC1(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000423086635 387879964 /nfs/dbraw/zinc/87/99/64/387879964.db2.gz MJFDWVZGOWSPQG-BDAKNGLRSA-N 2 0 202.367 1.597 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])C1 ZINC000643540061 387881651 /nfs/dbraw/zinc/88/16/51/387881651.db2.gz CJUSEVFQGYIGKQ-ZRUFSTJUSA-N 2 0 200.326 1.269 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])C1 ZINC000643540059 387881881 /nfs/dbraw/zinc/88/18/81/387881881.db2.gz CJUSEVFQGYIGKQ-VPOLOUISSA-N 2 0 200.326 1.269 20 0 BDADRP CCSCCC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000423117905 387898552 /nfs/dbraw/zinc/89/85/52/387898552.db2.gz XTIWEDPJXXDWRD-SDDRHHMPSA-N 2 0 246.420 1.472 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000423092661 387882630 /nfs/dbraw/zinc/88/26/30/387882630.db2.gz CVZYWRJJCALVSS-BBBLOLIVSA-N 2 0 218.291 1.891 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC1CC([NH+]2CCCCC2)C1 ZINC000423096435 387884981 /nfs/dbraw/zinc/88/49/81/387884981.db2.gz OVFJGBIFVCBMGF-FEPKRQSRSA-N 2 0 239.407 1.719 20 0 BDADRP C[C@@H]([NH2+]CC1C(C)(C)C1(C)C)C1C[NH2+]C1 ZINC000423098552 387886653 /nfs/dbraw/zinc/88/66/53/387886653.db2.gz SEUKIXDDQVBSHS-SECBINFHSA-N 2 0 210.365 1.866 20 0 BDADRP C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000423102290 387888654 /nfs/dbraw/zinc/88/86/54/387888654.db2.gz DYPDRNIJCPWMMA-AAVRWANBSA-N 2 0 240.391 1.637 20 0 BDADRP COc1ncccc1CC[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000423141059 387918284 /nfs/dbraw/zinc/91/82/84/387918284.db2.gz NSKDUTSLHDVZPK-WCQYABFASA-N 2 0 249.358 1.220 20 0 BDADRP CCC[C@H](C)C(=O)NCC[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000423120957 387901332 /nfs/dbraw/zinc/90/13/32/387901332.db2.gz ACOMJNXZDJTNAK-TUAOUCFPSA-N 2 0 241.379 1.008 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)NC1CC[NH2+]CC1 ZINC000423133264 387909261 /nfs/dbraw/zinc/90/92/61/387909261.db2.gz COPDCPQEOUARPZ-LBPRGKRZSA-N 2 0 227.396 1.448 20 0 BDADRP COc1ncccc1CC[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000423132110 387909714 /nfs/dbraw/zinc/90/97/14/387909714.db2.gz BNQJDYJFNYSNNA-NWDGAFQWSA-N 2 0 235.331 1.102 20 0 BDADRP COc1ccncc1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000423132484 387909724 /nfs/dbraw/zinc/90/97/24/387909724.db2.gz PFNVVCPODVBMJM-NSHDSACASA-N 2 0 237.347 1.697 20 0 BDADRP C1C[NH2+][C@H]([C@H]2CCC[C@@H]2[NH2+][C@H]2CCCOC2)C1 ZINC000423133115 387909898 /nfs/dbraw/zinc/90/98/98/387909898.db2.gz VLLHPIXBQIXUPB-CRWXNKLISA-N 2 0 238.375 1.676 20 0 BDADRP COCC1(CC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)CCC1 ZINC000423133367 387910406 /nfs/dbraw/zinc/91/04/06/387910406.db2.gz KCSCAQDHIXLFAC-STQMWFEESA-N 2 0 240.391 1.923 20 0 BDADRP COCC(C)(C)C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000423134011 387912059 /nfs/dbraw/zinc/91/20/59/387912059.db2.gz REDYHAWIIDXISZ-UWVGGRQHSA-N 2 0 200.326 1.128 20 0 BDADRP CCCN(CC)C[C@@H](C)[NH2+][C@H](C)CCC[NH3+] ZINC000423137595 387914611 /nfs/dbraw/zinc/91/46/11/387914611.db2.gz IGBXAFRIESQMCF-CHWSQXEVSA-N 2 0 229.412 1.824 20 0 BDADRP COCC1(CC[NH2+][C@@H](C)C[C@H](C)[NH3+])CCC1 ZINC000423135613 387914697 /nfs/dbraw/zinc/91/46/97/387914697.db2.gz OBGAIXOGWZJALK-RYUDHWBXSA-N 2 0 228.380 1.909 20 0 BDADRP COc1ccncc1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000423137715 387916460 /nfs/dbraw/zinc/91/64/60/387916460.db2.gz WYFIGJAOSUVJCV-YPMHNXCESA-N 2 0 249.358 1.697 20 0 BDADRP C[C@H](F)CC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423138793 387916466 /nfs/dbraw/zinc/91/64/66/387916466.db2.gz UCVYXQBTWSXSSW-GARJFASQSA-N 2 0 202.317 1.984 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000423139459 387916475 /nfs/dbraw/zinc/91/64/75/387916475.db2.gz KTNVFEDCEVRGQQ-AGIUHOORSA-N 2 0 229.412 1.822 20 0 BDADRP C[C@@H](CC(C)(C)O)[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423153075 387931242 /nfs/dbraw/zinc/93/12/42/387931242.db2.gz GAYVGDNKEFPNLM-SRVKXCTJSA-N 2 0 228.380 1.656 20 0 BDADRP CC(C)(O)C(C)(C)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000423154201 387931337 /nfs/dbraw/zinc/93/13/37/387931337.db2.gz IUSKGGSBXRIWJQ-UHFFFAOYSA-N 2 0 242.407 1.891 20 0 BDADRP CO[C@@H](C[NH2+][C@@H](C)C1C[NH2+]C1)Cc1ccccc1 ZINC000423153707 387931711 /nfs/dbraw/zinc/93/17/11/387931711.db2.gz GTKBBTDKDIYULW-SWLSCSKDSA-N 2 0 248.370 1.442 20 0 BDADRP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000423155571 387933819 /nfs/dbraw/zinc/93/38/19/387933819.db2.gz QTZDOKQXMJJOIF-FPYNETTCSA-N 2 0 226.364 1.374 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CCC[C@H]1[NH3+])Cc1ccccc1 ZINC000423157271 387936969 /nfs/dbraw/zinc/93/69/69/387936969.db2.gz MJIFIOZBRMPQDZ-ZNMIVQPWSA-N 2 0 248.370 1.714 20 0 BDADRP CCC[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+])OC ZINC000423144168 387920890 /nfs/dbraw/zinc/92/08/90/387920890.db2.gz GFGWTFPZTBVXAY-FDYHWXHSSA-N 2 0 244.379 1.143 20 0 BDADRP C[C@@H]([NH2+][C@@H](CO)C1CCCC1)[C@H]1CCC[NH2+]1 ZINC000423143531 387921280 /nfs/dbraw/zinc/92/12/80/387921280.db2.gz XBOHWZAOIBTCFG-RTXFEEFZSA-N 2 0 226.364 1.268 20 0 BDADRP Cc1ccncc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423146321 387923398 /nfs/dbraw/zinc/92/33/98/387923398.db2.gz ACEUBAZJHWPUEZ-GHMZBOCLSA-N 2 0 207.321 1.605 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1=CCCCC1 ZINC000423148502 387925982 /nfs/dbraw/zinc/92/59/82/387925982.db2.gz VMYDBBNGXBLOLY-UBHSHLNASA-N 2 0 238.375 1.829 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000423149803 387927305 /nfs/dbraw/zinc/92/73/05/387927305.db2.gz XWJWBTGENFMPSZ-UKKRHICBSA-N 2 0 200.301 1.594 20 0 BDADRP C[C@@H](CCCCO)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423149698 387927511 /nfs/dbraw/zinc/92/75/11/387927511.db2.gz AXLIXYVZLMKXNI-SRVKXCTJSA-N 2 0 214.353 1.268 20 0 BDADRP C[C@H]([NH2+]CCCC1CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000423150023 387927798 /nfs/dbraw/zinc/92/77/98/387927798.db2.gz YLWCKZCFEJXBNY-JSGCOSHPSA-N 2 0 240.391 1.923 20 0 BDADRP CCn1ccc(C[NH2+][C@H](C)CCCC[NH3+])n1 ZINC000423167685 387952820 /nfs/dbraw/zinc/95/28/20/387952820.db2.gz FNJQEYZFRROARB-LLVKDONJSA-N 2 0 224.352 1.510 20 0 BDADRP C[C@@H](NCC[N@H+]1CC=CCC1)[C@H]1CCCC[NH2+]1 ZINC000392322591 387954256 /nfs/dbraw/zinc/95/42/56/387954256.db2.gz VYAZSJHQDCRTKM-ZIAGYGMSSA-N 2 0 237.391 1.369 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000423168472 387955279 /nfs/dbraw/zinc/95/52/79/387955279.db2.gz XZTCFHUNCSWIKR-IGQOVBAYSA-N 2 0 240.391 1.515 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]C[C@H]2CCCO2)c2ccccc21 ZINC000423157980 387937592 /nfs/dbraw/zinc/93/75/92/387937592.db2.gz NJNJLDKYGPFIOA-DDTOSNHZSA-N 2 0 232.327 1.900 20 0 BDADRP CO[C@@H]([C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000423162566 387942833 /nfs/dbraw/zinc/94/28/33/387942833.db2.gz PXACBHLEDNYSOX-CPKPLZEKSA-N 2 0 238.375 1.673 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)[C@@H](C)C2C[NH2+]C2)c1 ZINC000424232697 387942859 /nfs/dbraw/zinc/94/28/59/387942859.db2.gz DQZCACDYPQEUQA-JTQLQIEISA-N 2 0 247.342 1.248 20 0 BDADRP C[NH+](C)C[C@H]1CC[N@H+](CC2=CCCC2)C1 ZINC000645802326 387945196 /nfs/dbraw/zinc/94/51/96/387945196.db2.gz CSBJDWWEPDRLOP-CYBMUJFWSA-N 2 0 208.349 1.980 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCCC[C@H]1O)[C@@H]1CCCC[NH2+]1 ZINC000423162807 387946292 /nfs/dbraw/zinc/94/62/92/387946292.db2.gz QFXLAEPQVDCHGK-ZOBORPQBSA-N 2 0 240.391 1.658 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@H+](CCC[C@H]2CCOC2)C1 ZINC000645802427 387946373 /nfs/dbraw/zinc/94/63/73/387946373.db2.gz MVTPCVHTVDMUBU-KBPBESRZSA-N 2 0 240.391 1.687 20 0 BDADRP CCc1ncc(C[NH2+]C2CCC(C[NH3+])CC2)o1 ZINC000423163697 387946710 /nfs/dbraw/zinc/94/67/10/387946710.db2.gz RKWVYWQDHSHPSV-UHFFFAOYSA-N 2 0 237.347 1.844 20 0 BDADRP C([NH2+][C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@H]1CCCO1 ZINC000423165529 387947461 /nfs/dbraw/zinc/94/74/61/387947461.db2.gz YIWPBXNRFNDZNT-RFGFWPKPSA-N 2 0 238.375 1.676 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2[NH3+])C12CCC2 ZINC000423165222 387948302 /nfs/dbraw/zinc/94/83/02/387948302.db2.gz AUXQUBCEJSMQHF-FIQHERPVSA-N 2 0 224.348 1.413 20 0 BDADRP Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])nc1C ZINC000423165898 387949638 /nfs/dbraw/zinc/94/96/38/387949638.db2.gz BRRXGZOUJRHHKK-GHMZBOCLSA-N 2 0 221.348 1.914 20 0 BDADRP Cc1ccc(CC[NH2+][C@H]2CCC[C@@H]2C[NH3+])nc1 ZINC000423165826 387949988 /nfs/dbraw/zinc/94/99/88/387949988.db2.gz QJWHLHVADGFVIW-OCCSQVGLSA-N 2 0 233.359 1.650 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000423167066 387950209 /nfs/dbraw/zinc/95/02/09/387950209.db2.gz WDZOKLLONBHSJY-MQYQWHSLSA-N 2 0 240.391 1.645 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CC[C@@H](C)O1 ZINC000423166166 387950734 /nfs/dbraw/zinc/95/07/34/387950734.db2.gz QTLQKQVXHIDEJV-UKKRHICBSA-N 2 0 200.326 1.269 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2C[NH3+])C12CCC2 ZINC000423172848 387960171 /nfs/dbraw/zinc/96/01/71/387960171.db2.gz VQJRZUFFRKIGOZ-QNWHQSFQSA-N 2 0 238.375 1.661 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCCO1 ZINC000424302556 387962039 /nfs/dbraw/zinc/96/20/39/387962039.db2.gz ZWQYHRVOEXGGQV-IJLUTSLNSA-N 2 0 212.337 1.415 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000423177779 387963699 /nfs/dbraw/zinc/96/36/99/387963699.db2.gz HWCBZQNRFVFMRN-IRCOFANPSA-N 2 0 220.316 1.853 20 0 BDADRP COCC1CCC([NH2+][C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000423177367 387964445 /nfs/dbraw/zinc/96/44/45/387964445.db2.gz HIXJATIUQKUFDE-OKZRHMCRSA-N 2 0 228.380 1.907 20 0 BDADRP C[N@@H+]1CC[C@H](N[C@@H]2CCC[NH2+]C2)[C@H]2CCC[C@H]21 ZINC000423180476 387965414 /nfs/dbraw/zinc/96/54/14/387965414.db2.gz DYJPYWUVRHCKHM-YIYPIFLZSA-N 2 0 237.391 1.201 20 0 BDADRP COCC1CCC([NH2+][C@@H](C)CCC[NH3+])CC1 ZINC000423180315 387965746 /nfs/dbraw/zinc/96/57/46/387965746.db2.gz KPKQREWFBSAHSM-HIFPTAJRSA-N 2 0 228.380 1.909 20 0 BDADRP CC[N@@H+]1C[C@@H](C)[C@H](NCC2([NH3+])CCCCC2)C1 ZINC000423179878 387965862 /nfs/dbraw/zinc/96/58/62/387965862.db2.gz MRUGVSCJBKOMFX-CHWSQXEVSA-N 2 0 239.407 1.578 20 0 BDADRP CC[C@@H]([NH2+]CCCN1CC[NH2+]CC1)C1CCC1 ZINC000423182362 387967338 /nfs/dbraw/zinc/96/73/38/387967338.db2.gz KEQPCERYRMGONI-CQSZACIVSA-N 2 0 239.407 1.450 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000423183555 387969086 /nfs/dbraw/zinc/96/90/86/387969086.db2.gz MPLAELQRWAOFAZ-GWOFURMSSA-N 2 0 208.305 1.851 20 0 BDADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCC[NH3+] ZINC000423183823 387969992 /nfs/dbraw/zinc/96/99/92/387969992.db2.gz HWDZNGNJJCWFQO-AAEUAGOBSA-N 2 0 222.332 1.701 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000423183560 387970588 /nfs/dbraw/zinc/97/05/88/387970588.db2.gz MPLAELQRWAOFAZ-UKKRHICBSA-N 2 0 208.305 1.851 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000423170322 387957721 /nfs/dbraw/zinc/95/77/21/387957721.db2.gz LPGAUAPLKRVLMD-RWMBFGLXSA-N 3 0 227.396 1.434 20 0 BDADRP Cc1c([C@@H](C)[NH2+]CCC[NH3+])cnn1C(C)C ZINC000423195864 387979490 /nfs/dbraw/zinc/97/94/90/387979490.db2.gz UBCSHQQQPXKYBA-SNVBAGLBSA-N 2 0 224.352 1.772 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1F ZINC000423196182 387981492 /nfs/dbraw/zinc/98/14/92/387981492.db2.gz ZEQKNGMYUISLOH-WISYIIOYSA-N 2 0 214.328 1.984 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH+]1C)C[C@H]1CCOC1 ZINC000245697967 387972642 /nfs/dbraw/zinc/97/26/42/387972642.db2.gz XDQHLDHDYZSLRV-OLZOCXBDSA-N 2 0 226.364 1.439 20 0 BDADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)[C@@H]1CC1(C)C ZINC000423188763 387973704 /nfs/dbraw/zinc/97/37/04/387973704.db2.gz QHCSZUKKFJHGGQ-OLZOCXBDSA-N 2 0 239.407 1.306 20 0 BDADRP CC(C)[C@H](Cn1cccn1)[NH2+]C1CC[NH2+]CC1 ZINC000423189244 387974252 /nfs/dbraw/zinc/97/42/52/387974252.db2.gz QRDTYMBRQQWYCQ-ZDUSSCGKSA-N 2 0 236.363 1.249 20 0 BDADRP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)[C@H](O)C(C)C ZINC000423190934 387975943 /nfs/dbraw/zinc/97/59/43/387975943.db2.gz SERDGWXZLGSZSY-YVECIDJPSA-N 2 0 228.380 1.512 20 0 BDADRP COCC1CCC([NH2+][C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000423192823 387977670 /nfs/dbraw/zinc/97/76/70/387977670.db2.gz UZEKMTBUPZQHCD-IFWUJCSASA-N 2 0 226.364 1.661 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000423202254 387987526 /nfs/dbraw/zinc/98/75/26/387987526.db2.gz QLBJZNBLAIEPCB-MGPQQGTHSA-N 2 0 240.391 1.781 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCSC1 ZINC000424362457 387989264 /nfs/dbraw/zinc/98/92/64/387989264.db2.gz ABRJKTKFJNYLKK-HBNTYKKESA-N 2 0 214.378 1.599 20 0 BDADRP CC[C@@H](NC[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423210611 387995401 /nfs/dbraw/zinc/99/54/01/387995401.db2.gz KCLUNTNIRVAAFW-UPJWGTAASA-N 2 0 225.380 1.106 20 0 BDADRP C[C@@H]([NH2+]CCCn1cccn1)[C@@H]1CCC[NH2+]1 ZINC000400507684 387985037 /nfs/dbraw/zinc/98/50/37/387985037.db2.gz ICJKDDYCTUVTJM-NEPJUHHUSA-N 2 0 222.336 1.003 20 0 BDADRP C[NH2+]CCC[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC000423199316 387985680 /nfs/dbraw/zinc/98/56/80/387985680.db2.gz JQUJDVXILLNSPE-RYUDHWBXSA-N 2 0 228.380 1.778 20 0 BDADRP CC[C@H](C)[NH2+]C1CC[NH+](CCCOC)CC1 ZINC000159167544 387996824 /nfs/dbraw/zinc/99/68/24/387996824.db2.gz NETAFVNPIROJAL-LBPRGKRZSA-N 2 0 228.380 1.875 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000424372280 387997614 /nfs/dbraw/zinc/99/76/14/387997614.db2.gz WHYXEEIWDDQMRM-QJPTWQEYSA-N 2 0 212.337 1.273 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423218916 387999360 /nfs/dbraw/zinc/99/93/60/387999360.db2.gz SLHXWTJDRBKJCK-NNYUYHANSA-N 2 0 214.353 1.388 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])[C@H]1CCOC1 ZINC000424376071 387999662 /nfs/dbraw/zinc/99/96/62/387999662.db2.gz OJTVTYGRMPUCJQ-WRWGMCAJSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@@H]([NH3+])CC[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000423224158 388006445 /nfs/dbraw/zinc/00/64/45/388006445.db2.gz IJYHPKZQHAZVQT-DGCLKSJQSA-N 2 0 234.343 1.707 20 0 BDADRP CCn1cc([C@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cn1 ZINC000423242717 388025565 /nfs/dbraw/zinc/02/55/65/388025565.db2.gz FTCHSHKPXSABCU-NWDGAFQWSA-N 2 0 236.363 1.553 20 0 BDADRP CCC1(CC)[C@H]([NH2+]CC[C@H](C)[NH3+])C[C@H]1OC ZINC000423227614 388011396 /nfs/dbraw/zinc/01/13/96/388011396.db2.gz WJXBWLIMSBZZRW-QJPTWQEYSA-N 2 0 228.380 1.907 20 0 BDADRP COc1ccc([C@H](C)[NH2+]CC[C@H](C)[NH3+])cc1O ZINC000423227857 388013144 /nfs/dbraw/zinc/01/31/44/388013144.db2.gz XIGPOCPOQSUUMP-UWVGGRQHSA-N 2 0 238.331 1.789 20 0 BDADRP CC[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccn(C)n1 ZINC000423242109 388025822 /nfs/dbraw/zinc/02/58/22/388025822.db2.gz YMUMIWKZJANVPM-MCIGGMRASA-N 2 0 236.363 1.731 20 0 BDADRP CC1(C)[C@H]([NH2+]C[C@@H]2CCC[NH2+]2)[C@@H]2CCCO[C@@H]21 ZINC000423235885 388021370 /nfs/dbraw/zinc/02/13/70/388021370.db2.gz NMHSLUHHIVFHRU-RVMXOQNASA-N 2 0 238.375 1.532 20 0 BDADRP CCC[N@H+](CC)CCN[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000156775924 388032656 /nfs/dbraw/zinc/03/26/56/388032656.db2.gz QCHXHZYLZIVIHD-ZIAGYGMSSA-N 2 0 241.423 1.791 20 0 BDADRP COC[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)C(C)C ZINC000423254452 388035249 /nfs/dbraw/zinc/03/52/49/388035249.db2.gz YCLDGGBKTXFFGR-VXGBXAGGSA-N 2 0 214.353 1.247 20 0 BDADRP [NH3+][C@H](CN[C@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000423254823 388037324 /nfs/dbraw/zinc/03/73/24/388037324.db2.gz ZPQPPKLTCIMIQG-UPJWGTAASA-N 2 0 219.332 1.156 20 0 BDADRP CC[C@@H](CCO)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000156809106 388037722 /nfs/dbraw/zinc/03/77/22/388037722.db2.gz PAYBTDJZVBHDBA-LBPRGKRZSA-N 2 0 228.380 1.610 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423263855 388041611 /nfs/dbraw/zinc/04/16/11/388041611.db2.gz BFXULERKCLBFAO-NWANDNLSSA-N 2 0 249.402 1.518 20 0 BDADRP C[C@H](NC[C@H]([NH3+])c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000423244549 388028313 /nfs/dbraw/zinc/02/83/13/388028313.db2.gz HRSQNVZJZVXTPU-QEJZJMRPSA-N 2 0 247.386 1.807 20 0 BDADRP CC[NH2+]CCN[C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423246901 388030167 /nfs/dbraw/zinc/03/01/67/388030167.db2.gz ZVHMCZSZMKXWGN-JSGCOSHPSA-N 2 0 235.375 1.144 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCO2)[C@H]2CCC[C@H]21 ZINC000453278688 388031888 /nfs/dbraw/zinc/03/18/88/388031888.db2.gz HZNYEXNYTPONCJ-YIYPIFLZSA-N 2 0 238.375 1.628 20 0 BDADRP COC[C@H]([NH2+]C[C@H](C)N(C)C)C(C)C ZINC000087479236 135143745 /nfs/dbraw/zinc/14/37/45/135143745.db2.gz ZOEFQGFWVQNVEV-QWRGUYRKSA-N 2 0 202.342 1.197 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]1 ZINC000423272306 388051899 /nfs/dbraw/zinc/05/18/99/388051899.db2.gz JUOMCJIJPVSXPK-FRRDWIJNSA-N 3 0 225.380 1.106 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423274695 388054822 /nfs/dbraw/zinc/05/48/22/388054822.db2.gz KUEURNKSHIPLRJ-NNYUYHANSA-N 2 0 213.369 1.219 20 0 BDADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000423274877 388054848 /nfs/dbraw/zinc/05/48/48/388054848.db2.gz MRLYIJBQUZLTBJ-CHWSQXEVSA-N 2 0 240.391 1.909 20 0 BDADRP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]([NH3+])C(C)C ZINC000423278607 388059644 /nfs/dbraw/zinc/05/96/44/388059644.db2.gz QYTHJFWFWMFYNI-YNEHKIRRSA-N 2 0 228.380 1.765 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000423278579 388060437 /nfs/dbraw/zinc/06/04/37/388060437.db2.gz QWQIYTSIQSUZRF-UHTWSYAYSA-N 2 0 225.380 1.042 20 0 BDADRP C[C@H]1CC[NH+](CC(O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000447300892 388061123 /nfs/dbraw/zinc/06/11/23/388061123.db2.gz ZTIRLWFDOUUWTF-RYUDHWBXSA-N 2 0 226.364 1.031 20 0 BDADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1cnccn1 ZINC000423279533 388061968 /nfs/dbraw/zinc/06/19/68/388061968.db2.gz SFHLESRAYJJYEF-SRVKXCTJSA-N 2 0 234.347 1.645 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1cnccc1N ZINC000423283968 388066558 /nfs/dbraw/zinc/06/65/58/388066558.db2.gz XVBQHBPIWLMFBR-NWDGAFQWSA-N 2 0 248.374 1.534 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000423284249 388066835 /nfs/dbraw/zinc/06/68/35/388066835.db2.gz WTVBCWRFRZDVIV-WOPDTQHZSA-N 3 0 213.369 1.221 20 0 BDADRP C[NH2+]C[C@H](C)CN[C@H]1CCCCC[C@H]1[NH3+] ZINC000423284724 388067206 /nfs/dbraw/zinc/06/72/06/388067206.db2.gz YXEBIYSAICNFCG-TUAOUCFPSA-N 2 0 213.369 1.092 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](Cn1cccn1)C(C)C ZINC000423284687 388067758 /nfs/dbraw/zinc/06/77/58/388067758.db2.gz YSZXCVGXUSLBAG-OLZOCXBDSA-N 2 0 238.379 1.353 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)C1CCOCC1 ZINC000423284669 388068015 /nfs/dbraw/zinc/06/80/15/388068015.db2.gz YRGKTKIMAMHYRH-MNOVXSKESA-N 2 0 214.353 1.247 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)Cc1ccoc1 ZINC000423285738 388068249 /nfs/dbraw/zinc/06/82/49/388068249.db2.gz ZYIVDOCFYYMSNG-GHMZBOCLSA-N 2 0 210.321 1.656 20 0 BDADRP CCc1cc(NC[C@@H]2CCC[NH2+]2)nc(C)n1 ZINC000084082126 388070340 /nfs/dbraw/zinc/07/03/40/388070340.db2.gz LXLYDCLSJPBZIM-NSHDSACASA-N 2 0 220.320 1.511 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453402157 388073806 /nfs/dbraw/zinc/07/38/06/388073806.db2.gz NFHWAJPWTHVYBZ-NWDGAFQWSA-N 2 0 228.380 1.874 20 0 BDADRP CC[NH+](CC)CCCN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000084217732 388074855 /nfs/dbraw/zinc/07/48/55/388074855.db2.gz LFLTUDLEJGFMHY-CHWSQXEVSA-N 2 0 227.396 1.435 20 0 BDADRP CCC(CC)(C[NH3+])C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000447521815 388075436 /nfs/dbraw/zinc/07/54/36/388075436.db2.gz XGPBCBFTQZGXNG-GHMZBOCLSA-N 2 0 241.379 1.008 20 0 BDADRP Cc1n[nH]cc1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000084216288 388075671 /nfs/dbraw/zinc/07/56/71/388075671.db2.gz NHXSBEBKGKTSDZ-CMPLNLGQSA-N 2 0 222.336 1.325 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1NCCC[NH+]1CCCC1 ZINC000084218090 388075759 /nfs/dbraw/zinc/07/57/59/388075759.db2.gz MIPFEITWWJWLJV-OLZOCXBDSA-N 2 0 225.380 1.189 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@H]1CC[NH2+]CC[C@H]1C ZINC000423297116 388078300 /nfs/dbraw/zinc/07/83/00/388078300.db2.gz IURZOYSXJKVRRE-UPJWGTAASA-N 2 0 227.396 1.482 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@@H]1CC[NH2+]CC[C@H]1C ZINC000423297115 388078440 /nfs/dbraw/zinc/07/84/40/388078440.db2.gz IURZOYSXJKVRRE-JHJVBQTASA-N 2 0 227.396 1.482 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@H]1C[N@H+](C)C[C@@H]1C ZINC000423298224 388079519 /nfs/dbraw/zinc/07/95/19/388079519.db2.gz NRVCNWSCHPCZNY-TUAOUCFPSA-N 2 0 213.369 1.044 20 0 BDADRP C[C@@H](O)[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000118946342 388099796 /nfs/dbraw/zinc/09/97/96/388099796.db2.gz JBTDPOFJKGJVML-ZIAGYGMSSA-N 2 0 240.391 1.565 20 0 BDADRP CC(C)CCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000336661427 388104496 /nfs/dbraw/zinc/10/44/96/388104496.db2.gz CCYYFKCLCVCEQI-CHWSQXEVSA-N 2 0 210.365 1.964 20 0 BDADRP [NH3+]C1CCC([NH2+]C[C@@H]2CCCC[C@H]2O)CC1 ZINC000086730502 388108392 /nfs/dbraw/zinc/10/83/92/388108392.db2.gz FJIIOFFSNFSSPJ-YWPUVAFDSA-N 2 0 226.364 1.397 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000423268403 388047258 /nfs/dbraw/zinc/04/72/58/388047258.db2.gz DNXAQHXPHHGYIG-AGIUHOORSA-N 3 0 227.396 1.611 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000423268404 388048007 /nfs/dbraw/zinc/04/80/07/388048007.db2.gz DNXAQHXPHHGYIG-FRRDWIJNSA-N 3 0 227.396 1.611 20 0 BDADRP C[C@@H]1C[C@H]1C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000488444457 388179128 /nfs/dbraw/zinc/17/91/28/388179128.db2.gz HTPACOBWSKPWFF-RDBSUJKOSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@@H]1C[C@H]1C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000488444454 388179178 /nfs/dbraw/zinc/17/91/78/388179178.db2.gz HTPACOBWSKPWFF-HZSPNIEDSA-N 2 0 240.391 1.469 20 0 BDADRP CCC[NH2+]CCNC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000449369964 388184020 /nfs/dbraw/zinc/18/40/20/388184020.db2.gz GROKYKKLSCNONH-NWDGAFQWSA-N 2 0 241.379 1.010 20 0 BDADRP CC[C@@H](C)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104926 388143240 /nfs/dbraw/zinc/14/32/40/388143240.db2.gz WDZLSTVEOGDDPN-CYBMUJFWSA-N 2 0 240.391 1.829 20 0 BDADRP CCCC[N@H+](C)CCNC(=O)[C@H](C)[NH2+]CCC ZINC000449119808 388145164 /nfs/dbraw/zinc/14/51/64/388145164.db2.gz BAKWNUGKCYPQEK-LBPRGKRZSA-N 2 0 243.395 1.223 20 0 BDADRP CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCCN1CCCO ZINC000449387905 388190517 /nfs/dbraw/zinc/19/05/17/388190517.db2.gz NLBRAXLLWWKPME-MELADBBJSA-N 2 0 242.407 1.857 20 0 BDADRP Cc1cn[nH]c1C[NH2+]C(C)(C)CCC[NH+](C)C ZINC000449527960 388224976 /nfs/dbraw/zinc/22/49/76/388224976.db2.gz MFTXPTOJCBKOTP-UHFFFAOYSA-N 2 0 238.379 1.928 20 0 BDADRP CC[C@H]([NH2+]Cc1cccc2nccn21)[C@H](C)O ZINC000449547003 388228669 /nfs/dbraw/zinc/22/86/69/388228669.db2.gz WTQKPSVEWKFFBO-JQWIXIFHSA-N 2 0 233.315 1.583 20 0 BDADRP C[C@@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)[NH+](C)C ZINC000449558149 388230269 /nfs/dbraw/zinc/23/02/69/388230269.db2.gz WCDHLTYOIBGRKE-AVGNSLFASA-N 2 0 225.380 1.153 20 0 BDADRP CN(C)c1ccncc1C[NH2+]CCC1(CO)CC1 ZINC000449581283 388237303 /nfs/dbraw/zinc/23/73/03/388237303.db2.gz YHQRUNMIWNOXLS-UHFFFAOYSA-N 2 0 249.358 1.400 20 0 BDADRP C[C@@H](C(=O)N[C@@H](C)[C@H](C)[NH3+])[C@H]([NH3+])c1ccccc1 ZINC000449597074 388239545 /nfs/dbraw/zinc/23/95/45/388239545.db2.gz YQEBIFGUYBKMOU-BLFANLJRSA-N 2 0 249.358 1.174 20 0 BDADRP CNC(=O)C[C@H](C)[NH2+]CCCc1cnccc1C ZINC000449605736 388240996 /nfs/dbraw/zinc/24/09/96/388240996.db2.gz XBCKCHCENIMEDP-LBPRGKRZSA-N 2 0 249.358 1.437 20 0 BDADRP CC(C)[C@]1(C)C[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000397217742 388343420 /nfs/dbraw/zinc/34/34/20/388343420.db2.gz DDWHWIYCAJQPKU-IHRRRGAJSA-N 2 0 240.391 1.467 20 0 BDADRP CCC[NH+]1CCC(NCCC[NH2+]C(C)C)CC1 ZINC000516562050 388344707 /nfs/dbraw/zinc/34/47/07/388344707.db2.gz KJKMOTQDQCBZFQ-UHFFFAOYSA-N 2 0 241.423 1.839 20 0 BDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)CC(C)(C)[NH3+] ZINC000646453933 388361235 /nfs/dbraw/zinc/36/12/35/388361235.db2.gz NIQVVCKELBGZRW-NSHDSACASA-N 2 0 243.395 1.350 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCOC(C)(C)C)CC[N@@H+]1C ZINC000163719698 388366706 /nfs/dbraw/zinc/36/67/06/388366706.db2.gz HIAMMBXPBMBMSD-RYUDHWBXSA-N 2 0 228.380 1.874 20 0 BDADRP CCCC[C@@H]([NH3+])C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000236815469 388383815 /nfs/dbraw/zinc/38/38/15/388383815.db2.gz AZTRSRQPETYLJE-CYBMUJFWSA-N 2 0 249.358 1.862 20 0 BDADRP [NH3+]Cc1cccc(NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)c1 ZINC000646578792 388388493 /nfs/dbraw/zinc/38/84/93/388388493.db2.gz FHQQZNXKGHEHHO-JSGCOSHPSA-N 2 0 245.326 1.083 20 0 BDADRP CN(CCC[NH+](C)C)Cc1ccncc1 ZINC000572921332 388389847 /nfs/dbraw/zinc/38/98/47/388389847.db2.gz GQOGDGLZHZYCIT-UHFFFAOYSA-N 2 0 207.321 1.465 20 0 BDADRP C[NH2+]C[C@@H](C)CNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000237294815 388393250 /nfs/dbraw/zinc/39/32/50/388393250.db2.gz UCGHNQIYDJVCKQ-YPMHNXCESA-N 2 0 249.358 1.048 20 0 BDADRP CC[C@](C)(C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)OC ZINC000322653812 388442735 /nfs/dbraw/zinc/44/27/35/388442735.db2.gz YGNCBULPZXMSTR-YNEHKIRRSA-N 2 0 228.380 1.731 20 0 BDADRP Cn1cc(CCC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000515498320 256748866 /nfs/dbraw/zinc/74/88/66/256748866.db2.gz GQXQLFXHKMAOQS-QWHCGFSZSA-N 2 0 236.363 1.212 20 0 BDADRP CC[NH2+]CCC[NH2+][C@@H]1CCC12CCOCC2 ZINC000573108284 388420558 /nfs/dbraw/zinc/42/05/58/388420558.db2.gz FXMVRHVZUZYPIS-GFCCVEGCSA-N 2 0 226.364 1.535 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NCC[NH3+] ZINC000307596969 388424802 /nfs/dbraw/zinc/42/48/02/388424802.db2.gz MYWILWJLRKCTRR-TZMCWYRMSA-N 2 0 233.359 1.055 20 0 BDADRP CC1(C)OCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000336888321 388429406 /nfs/dbraw/zinc/42/94/06/388429406.db2.gz FFIIVFFWQNUEOZ-AVGNSLFASA-N 2 0 238.375 1.770 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC(C)(C)C(C)(C)O ZINC000393578949 388434252 /nfs/dbraw/zinc/43/42/52/388434252.db2.gz DJADZCGQBBLDGM-VXGBXAGGSA-N 2 0 242.407 1.713 20 0 BDADRP CCO[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000573266711 388437518 /nfs/dbraw/zinc/43/75/18/388437518.db2.gz KXGQNGCMHYZQLU-MROQNXINSA-N 2 0 242.363 1.040 20 0 BDADRP CC(C)C[C@H](CCO)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000520838202 388537866 /nfs/dbraw/zinc/53/78/66/388537866.db2.gz SWYVQKRQCYSHFQ-MJBXVCDLSA-N 2 0 242.407 1.891 20 0 BDADRP c1n[nH]cc1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000353625290 388542630 /nfs/dbraw/zinc/54/26/30/388542630.db2.gz FXUDARNSPPVKCO-QWHCGFSZSA-N 2 0 234.347 1.169 20 0 BDADRP C[C@@H](O)CCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000517273368 388545559 /nfs/dbraw/zinc/54/55/59/388545559.db2.gz LUPFQJCQAZSKJK-GFCCVEGCSA-N 2 0 240.391 1.611 20 0 BDADRP CO[C@@H](C[NH2+][C@@H](C)CCC[NH3+])C1CC1 ZINC000356358081 388546798 /nfs/dbraw/zinc/54/67/98/388546798.db2.gz WRAHHRXWGHEPGP-ONGXEEELSA-N 2 0 200.326 1.128 20 0 BDADRP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)[C@@H]1CC1(C)C ZINC000397817753 388502131 /nfs/dbraw/zinc/50/21/31/388502131.db2.gz JYDHLGKGDQXFKN-XQQFMLRXSA-N 2 0 240.391 1.467 20 0 BDADRP CCn1cc([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cn1 ZINC000344289586 388506225 /nfs/dbraw/zinc/50/62/25/388506225.db2.gz LFMOXWRFXKNHCB-LBPRGKRZSA-N 2 0 248.374 1.816 20 0 BDADRP CC(C)CC[C@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000344771870 388510209 /nfs/dbraw/zinc/51/02/09/388510209.db2.gz UXACHXUMBNHJAX-ZDUSSCGKSA-N 2 0 242.407 1.857 20 0 BDADRP CSC[C@H](O)C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000516921789 388524413 /nfs/dbraw/zinc/52/44/13/388524413.db2.gz MMERRXQJUOJTIP-VXGBXAGGSA-N 2 0 246.420 1.032 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC2CC[NH2+]CC2)c2ccccc21 ZINC000516921189 388524997 /nfs/dbraw/zinc/52/49/97/388524997.db2.gz JHULSIHMJJOJQI-HUUCEWRRSA-N 3 0 245.370 1.720 20 0 BDADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCCC23CC3)CC1 ZINC000516938323 388526116 /nfs/dbraw/zinc/52/61/16/388526116.db2.gz NQBWNGHYPMQRQI-LBPRGKRZSA-N 2 0 238.375 1.365 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000348287046 388527932 /nfs/dbraw/zinc/52/79/32/388527932.db2.gz AODSXCBUTHXJCL-RFQIPJPRSA-N 2 0 242.407 1.569 20 0 BDADRP CO[C@H](C[NH2+][C@@H](C)CCC[NH3+])C(C)C ZINC000362976092 388562616 /nfs/dbraw/zinc/56/26/16/388562616.db2.gz JDWNRQNJWZGMFL-WDEREUQCSA-N 2 0 202.342 1.374 20 0 BDADRP CO[C@@H](C[NH2+][C@H](C)CCC[NH3+])C(C)C ZINC000362976090 388562681 /nfs/dbraw/zinc/56/26/81/388562681.db2.gz JDWNRQNJWZGMFL-MNOVXSKESA-N 2 0 202.342 1.374 20 0 BDADRP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000528757995 388567508 /nfs/dbraw/zinc/56/75/08/388567508.db2.gz DNAZBQWXDKXHNG-PDWCTOEPSA-N 2 0 240.391 1.872 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)COC)C1 ZINC000245452858 388580131 /nfs/dbraw/zinc/58/01/31/388580131.db2.gz QSLVCISOSCMGOI-NEPJUHHUSA-N 2 0 214.353 1.295 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2F)C1 ZINC000522014324 388675045 /nfs/dbraw/zinc/67/50/45/388675045.db2.gz RYMGLNWJUBUONJ-XWLWVQCSSA-N 2 0 200.301 1.737 20 0 BDADRP C[C@H]([NH3+])CCNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000621702204 388677393 /nfs/dbraw/zinc/67/73/93/388677393.db2.gz LBTLXMNYHCMQJH-GWCFXTLKSA-N 2 0 247.342 1.075 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cnc(N(C)C)s1 ZINC000521626691 388620769 /nfs/dbraw/zinc/62/07/69/388620769.db2.gz WBTODXFCPJCBOJ-DTWKUNHWSA-N 2 0 242.392 1.425 20 0 BDADRP Cc1n[nH]cc1CN[C@@H]1CC[NH2+]C12CCC2 ZINC000530178425 388621243 /nfs/dbraw/zinc/62/12/43/388621243.db2.gz LCRPUAWFWUTISX-LLVKDONJSA-N 2 0 220.320 1.092 20 0 BDADRP CC[C@H]([NH2+]CC[C@@H]1CCCOC1)[C@@H]1CCC[NH2+]1 ZINC000530208668 388626788 /nfs/dbraw/zinc/62/67/88/388626788.db2.gz GOZABVWXQBSAHG-IHRRRGAJSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCCOC2)CC[NH2+]1 ZINC000530213019 388627585 /nfs/dbraw/zinc/62/75/85/388627585.db2.gz SUBAAPHHJYUASD-UPJWGTAASA-N 2 0 226.364 1.533 20 0 BDADRP Cn1cc2ccc(C[NH2+]C3CC[NH2+]CC3)cc2n1 ZINC000530218992 388631556 /nfs/dbraw/zinc/63/15/56/388631556.db2.gz OJXUAWBTZAQDGM-UHFFFAOYSA-N 2 0 244.342 1.415 20 0 BDADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cn1 ZINC000530221970 388633067 /nfs/dbraw/zinc/63/30/67/388633067.db2.gz QCLVIDDQOSWHOD-CHWSQXEVSA-N 2 0 249.358 1.350 20 0 BDADRP C[C@H](C[NH2+]C1CC[NH2+]CC1)c1ccncc1 ZINC000530222579 388633147 /nfs/dbraw/zinc/63/31/47/388633147.db2.gz RPXKZNATGZRKEG-LLVKDONJSA-N 2 0 219.332 1.527 20 0 BDADRP COc1ccc(CC[NH2+][C@H](C)[C@H]2CC[NH2+]C2)cn1 ZINC000530221878 388633272 /nfs/dbraw/zinc/63/32/72/388633272.db2.gz PIFLHQBXFJIOSO-YPMHNXCESA-N 2 0 249.358 1.220 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC12CC(C1)CO2 ZINC000530223337 388634102 /nfs/dbraw/zinc/63/41/02/388634102.db2.gz UEQKJKSZGWVUOK-QCXCNERSSA-N 2 0 224.348 1.143 20 0 BDADRP C[C@@H]1C[C@@H](N[C@@H]2CC[NH2+]C23CCC3)CC[N@@H+]1C ZINC000530222761 388634517 /nfs/dbraw/zinc/63/45/17/388634517.db2.gz RLYCTXTYNUNXGK-FRRDWIJNSA-N 2 0 237.391 1.343 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CC23CC(C2)CO3)C1 ZINC000530224046 388634584 /nfs/dbraw/zinc/63/45/84/388634584.db2.gz VWJPUCPDVVARJE-YECOWLKZSA-N 2 0 210.321 1.025 20 0 BDADRP CC[NH2+]CCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000521858915 388634833 /nfs/dbraw/zinc/63/48/33/388634833.db2.gz BGCLEAPTXUDKMB-MCIONIFRSA-N 2 0 239.407 1.496 20 0 BDADRP CC[NH2+]CCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000521858914 388634837 /nfs/dbraw/zinc/63/48/37/388634837.db2.gz BGCLEAPTXUDKMB-BFHYXJOUSA-N 2 0 239.407 1.496 20 0 BDADRP C[C@@H]1CC(F)(F)CC[N@@H+]1CCOCC[NH3+] ZINC000530232449 388636558 /nfs/dbraw/zinc/63/65/58/388636558.db2.gz PNLNRXZJLFKQLV-SECBINFHSA-N 2 0 222.279 1.081 20 0 BDADRP FCCC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530242802 388637730 /nfs/dbraw/zinc/63/77/30/388637730.db2.gz VEVSCHPROQKFCT-ZDUSSCGKSA-N 2 0 244.354 1.437 20 0 BDADRP COCCC1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000530240986 388638248 /nfs/dbraw/zinc/63/82/48/388638248.db2.gz AJAZRNCPUCWRHN-AWEZNQCLSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@@H](C[NH2+]C[C@]1(C)CC[NH2+]C1)c1ccncc1 ZINC000530244951 388638971 /nfs/dbraw/zinc/63/89/71/388638971.db2.gz RIBCLUOAOBDKBV-GXTWGEPZSA-N 2 0 233.359 1.774 20 0 BDADRP C(C[C@H]1CCOC1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530243893 388639085 /nfs/dbraw/zinc/63/90/85/388639085.db2.gz INLBGGJAFYCSKN-RYUDHWBXSA-N 2 0 224.348 1.287 20 0 BDADRP CC[N@@H+]1CC[C@H](CN[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000246999563 388656555 /nfs/dbraw/zinc/65/65/55/388656555.db2.gz KPBMKOMEARGXFF-MJBXVCDLSA-N 2 0 239.407 1.401 20 0 BDADRP CC[C@H](O)CC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000128132826 388738630 /nfs/dbraw/zinc/73/86/30/388738630.db2.gz QXBIWPIMCXRVQO-WOPDTQHZSA-N 2 0 214.353 1.220 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000227084558 388739856 /nfs/dbraw/zinc/73/98/56/388739856.db2.gz QLFTYWJZDOZHEF-SRVKXCTJSA-N 2 0 212.337 1.273 20 0 BDADRP CO[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000248988735 388703610 /nfs/dbraw/zinc/70/36/10/388703610.db2.gz FMKXEJQQRWZMNJ-IGQOVBAYSA-N 2 0 238.375 1.770 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000249121419 388709440 /nfs/dbraw/zinc/70/94/40/388709440.db2.gz WXRMCCXGSCPLEA-KBPBESRZSA-N 2 0 242.407 1.954 20 0 BDADRP Cc1nc(CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cs1 ZINC000226313576 388714685 /nfs/dbraw/zinc/71/46/85/388714685.db2.gz PXFUGDYQGXKGTC-MNOVXSKESA-N 2 0 239.388 1.854 20 0 BDADRP CC[C@H](O)CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000253025235 388798213 /nfs/dbraw/zinc/79/82/13/388798213.db2.gz MTXXITMGMXJCKE-DCAQKATOSA-N 2 0 200.326 1.007 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1cccnc1 ZINC000128929643 388804439 /nfs/dbraw/zinc/80/44/39/388804439.db2.gz UWNTXNVPEVMXSD-OCCSQVGLSA-N 2 0 233.359 1.554 20 0 BDADRP Cc1c[nH+]ccc1N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000228162733 388770452 /nfs/dbraw/zinc/77/04/52/388770452.db2.gz ZHEDRFSBMFYZBX-QWRGUYRKSA-N 2 0 205.305 1.564 20 0 BDADRP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000228138080 388770733 /nfs/dbraw/zinc/77/07/33/388770733.db2.gz HKDHITZTLOYGRT-GRYCIOLGSA-N 2 0 214.353 1.077 20 0 BDADRP C[C@@H]1CCC[C@H]1[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000228138104 388771126 /nfs/dbraw/zinc/77/11/26/388771126.db2.gz HKDHITZTLOYGRT-IJLUTSLNSA-N 2 0 214.353 1.077 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@H]1CCC[NH+](C)C1 ZINC000252709491 388773937 /nfs/dbraw/zinc/77/39/37/388773937.db2.gz CZRYIQJPTUKPFP-MGPQQGTHSA-N 3 0 239.407 1.258 20 0 BDADRP C[C@H]([NH2+]CCC[NH+]1CCCCC1)[C@H]1CCOC1 ZINC000128622721 388777659 /nfs/dbraw/zinc/77/76/59/388777659.db2.gz LLSUORNOGPLLJF-KBPBESRZSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@@H](CC1CC1)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000128629902 388778312 /nfs/dbraw/zinc/77/83/12/388778312.db2.gz DHQNYUBVZHDZLE-ZDUSSCGKSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000252732517 388778960 /nfs/dbraw/zinc/77/89/60/388778960.db2.gz VKXHQOPXMLXFFS-FRRDWIJNSA-N 2 0 248.374 1.486 20 0 BDADRP CCOCCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129460247 388844330 /nfs/dbraw/zinc/84/43/30/388844330.db2.gz VWVQUVDJXWYFRJ-VXGBXAGGSA-N 2 0 214.353 1.485 20 0 BDADRP C[C@H]1C[C@H](NCCC[NH+](C)C)CC[N@@H+]1C ZINC000129553483 388851383 /nfs/dbraw/zinc/85/13/83/388851383.db2.gz XSCJRQGGNYXKLC-NWDGAFQWSA-N 2 0 213.369 1.010 20 0 BDADRP CC[NH+](CC)CCN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129588999 388855410 /nfs/dbraw/zinc/85/54/10/388855410.db2.gz VEIMBFKICSQDQR-CHWSQXEVSA-N 2 0 227.396 1.401 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000129683299 388865148 /nfs/dbraw/zinc/86/51/48/388865148.db2.gz XHVBYHSOUQQFBS-MGPQQGTHSA-N 2 0 239.407 1.543 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCCOCC2CC2)CC[N@@H+]1C ZINC000129821822 388872546 /nfs/dbraw/zinc/87/25/46/388872546.db2.gz OFSXUOFVNNYPLX-OCCSQVGLSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCCn2ccnc2)CC[N@@H+]1C ZINC000129503491 388849940 /nfs/dbraw/zinc/84/99/40/388849940.db2.gz VCJYLTAWLZHEQU-QWHCGFSZSA-N 2 0 236.363 1.346 20 0 BDADRP CC(C)[NH2+]CCCN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000564649665 388881311 /nfs/dbraw/zinc/88/13/11/388881311.db2.gz JVBIMJHBJHMBDO-VXGBXAGGSA-N 2 0 213.369 1.105 20 0 BDADRP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000564827801 388891404 /nfs/dbraw/zinc/89/14/04/388891404.db2.gz INSVDASERKJOPR-HZSPNIEDSA-N 2 0 240.391 1.923 20 0 BDADRP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000564827803 388891620 /nfs/dbraw/zinc/89/16/20/388891620.db2.gz INSVDASERKJOPR-MGPQQGTHSA-N 2 0 240.391 1.923 20 0 BDADRP [NH3+]CCCCC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000565656039 388960503 /nfs/dbraw/zinc/96/05/03/388960503.db2.gz CSFHBPAHTMAVMR-UHFFFAOYSA-N 2 0 233.315 1.357 20 0 BDADRP CC[NH2+]CCC[NH2+][C@@H]1CCCSC1 ZINC000565710253 388965208 /nfs/dbraw/zinc/96/52/08/388965208.db2.gz BSEUAXITSNBXLS-SNVBAGLBSA-N 2 0 202.367 1.471 20 0 BDADRP COC[C@@H](C)C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000153368321 388967432 /nfs/dbraw/zinc/96/74/32/388967432.db2.gz QQNJMUDWKSOCLK-STQMWFEESA-N 2 0 228.380 1.590 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CC1(c2ccccn2)CCC1 ZINC000565533988 388950982 /nfs/dbraw/zinc/95/09/82/388950982.db2.gz XXLIQOHOBWPKLS-QWHCGFSZSA-N 2 0 245.370 1.973 20 0 BDADRP CC[C@@H]([NH3+])C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000565538478 388952523 /nfs/dbraw/zinc/95/25/23/388952523.db2.gz KKFDWAPSGWVSJR-LLVKDONJSA-N 2 0 221.304 1.130 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCNc2ccccn2)C1 ZINC000565843432 388974477 /nfs/dbraw/zinc/97/44/77/388974477.db2.gz NTNYDCSNKZMIEW-VXGBXAGGSA-N 2 0 234.347 1.353 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccccc1CO ZINC000565945113 388980380 /nfs/dbraw/zinc/98/03/80/388980380.db2.gz RZXAZAQNKIVZNA-IUODEOHRSA-N 2 0 248.370 1.657 20 0 BDADRP CC[C@H](NC[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCC[NH2+]1 ZINC000566089522 388986911 /nfs/dbraw/zinc/98/69/11/388986911.db2.gz KXCNXVKAJWESCN-IHRRRGAJSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]CC[C@H]2C)C[C@H](C)O1 ZINC000566090657 388987360 /nfs/dbraw/zinc/98/73/60/388987360.db2.gz HHKCRRHXFFXRJQ-RKQHYHRCSA-N 2 0 240.391 1.920 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@@H]2CCCS2)CC1 ZINC000087667674 535474635 /nfs/dbraw/zinc/47/46/35/535474635.db2.gz VXUTXLDQBLBLTE-LBPRGKRZSA-N 2 0 228.405 1.956 20 0 BDADRP C([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCOC1 ZINC000251325698 533371010 /nfs/dbraw/zinc/37/10/10/533371010.db2.gz OQBXLCQPYUAFCY-JHJVBQTASA-N 2 0 224.348 1.239 20 0 BDADRP C([NH2+][C@H]1CCCC[NH2+]C1)[C@@H]1CCCOC1 ZINC000335644331 533371673 /nfs/dbraw/zinc/37/16/73/533371673.db2.gz TVZPODWWZVUALO-RYUDHWBXSA-N 2 0 212.337 1.145 20 0 BDADRP C([C@H]1CCOC1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000334310867 533377717 /nfs/dbraw/zinc/37/77/17/533377717.db2.gz KZUGTPUJYFZDJZ-OCCSQVGLSA-N 2 0 238.375 1.344 20 0 BDADRP C[C@@H](NCCC[NH+]1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000400715987 533380334 /nfs/dbraw/zinc/38/03/34/533380334.db2.gz NHFHMXKOWJNFDU-KGLIPLIRSA-N 2 0 239.407 1.593 20 0 BDADRP Cc1cc(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc[nH+]1 ZINC000336626373 132218887 /nfs/dbraw/zinc/21/88/87/132218887.db2.gz XBVVYVYSCAOOSS-VXGBXAGGSA-N 2 0 219.332 1.919 20 0 BDADRP Cc1c[nH+]ccc1N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070045233 132229977 /nfs/dbraw/zinc/22/99/77/132229977.db2.gz URUCAJQXHXWWAV-NEPJUHHUSA-N 2 0 219.332 1.954 20 0 BDADRP Cc1c[nH+]ccc1N1CC[C@@H]2CC[N@@H+](C)[C@H]2C1 ZINC000368450757 132283425 /nfs/dbraw/zinc/28/34/25/132283425.db2.gz SPJYAWHDVBNCRT-JSGCOSHPSA-N 2 0 231.343 1.920 20 0 BDADRP CC[NH2+]Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000034824232 132294915 /nfs/dbraw/zinc/29/49/15/132294915.db2.gz NWDXEIRZODHWJN-UHFFFAOYSA-N 2 0 247.386 1.938 20 0 BDADRP CC(C)[NH2+]Cc1ccccc1N1CC[NH+](C)CC1 ZINC000034823182 132336988 /nfs/dbraw/zinc/33/69/88/132336988.db2.gz FWFUNWFTOPTXSG-UHFFFAOYSA-N 2 0 247.386 1.936 20 0 BDADRP C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000335492791 133865231 /nfs/dbraw/zinc/86/52/31/133865231.db2.gz BWMXRARJKNNZLW-RKDXNWHRSA-N 2 0 233.315 1.212 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccccc2N(C)C)CC[C@H]1[NH3+] ZINC000336054896 134066075 /nfs/dbraw/zinc/06/60/75/134066075.db2.gz RMCHNZWIAPFSJJ-GXTWGEPZSA-N 2 0 247.386 1.922 20 0 BDADRP [NH3+]CCC[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000168082327 134156051 /nfs/dbraw/zinc/15/60/51/134156051.db2.gz RFIZSCATLFRTQC-LBPRGKRZSA-N 2 0 224.735 1.746 20 0 BDADRP Cc1ccsc1CN1CCC[C@@H]1C[NH3+] ZINC000168800714 134246859 /nfs/dbraw/zinc/24/68/59/134246859.db2.gz LGXNCPHNOHSUTL-SNVBAGLBSA-N 2 0 210.346 1.980 20 0 BDADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCCO2)C1 ZINC000176284519 134290551 /nfs/dbraw/zinc/29/05/51/134290551.db2.gz CMBPLRFARNKODR-KBPBESRZSA-N 2 0 240.391 1.829 20 0 BDADRP c1n[nH]cc1[C@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000178981484 134314111 /nfs/dbraw/zinc/31/41/11/134314111.db2.gz IGDAOGJOSUUXPI-CQSZACIVSA-N 2 0 248.374 1.936 20 0 BDADRP [NH3+]CCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000224129426 134342172 /nfs/dbraw/zinc/34/21/72/134342172.db2.gz SOFOEWPWPHHJPR-FRRDWIJNSA-N 2 0 225.380 1.236 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H](C)CO ZINC000224251182 134345439 /nfs/dbraw/zinc/34/54/39/134345439.db2.gz KAUWMLOBEPWHQS-XQQFMLRXSA-N 2 0 228.380 1.515 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@@H]2CCSC2)C1 ZINC000224379037 134346267 /nfs/dbraw/zinc/34/62/67/134346267.db2.gz CVJAHRYAGMZDNM-NEPJUHHUSA-N 2 0 228.405 1.671 20 0 BDADRP C[NH+]1CCC(C[NH2+]C[C@@H]2CCSC2)CC1 ZINC000224405681 134346808 /nfs/dbraw/zinc/34/68/08/134346808.db2.gz FPNOZQGFPUNYNA-LBPRGKRZSA-N 2 0 228.405 1.671 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](O)C2(C)C)[C@H](C)C1 ZINC000183829972 134356739 /nfs/dbraw/zinc/35/67/39/134356739.db2.gz QXJYHZGGAVSNPG-XQHKEYJVSA-N 2 0 240.391 1.466 20 0 BDADRP CC(C)[C@H](CCO)[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000227009423 134373100 /nfs/dbraw/zinc/37/31/00/134373100.db2.gz UZRAMLJYSGQYOL-KBPBESRZSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)O1 ZINC000227045093 134373673 /nfs/dbraw/zinc/37/36/73/134373673.db2.gz UOSWVQVZQOZHBW-UMSGYPCISA-N 2 0 226.364 1.626 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@@H](CO)Cc1ccccc1 ZINC000227087658 134374465 /nfs/dbraw/zinc/37/44/65/134374465.db2.gz AFJDUXITULVNIY-RRFJBIMHSA-N 2 0 248.370 1.307 20 0 BDADRP C[C@H](CCCO)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227542249 134382822 /nfs/dbraw/zinc/38/28/22/134382822.db2.gz JAYGPSSXPGPFIK-HONMWMINSA-N 2 0 234.343 1.882 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CCC(C)(C)C ZINC000234781429 134388385 /nfs/dbraw/zinc/38/83/85/134388385.db2.gz AESRLDYRJNHOKT-NSHDSACASA-N 2 0 216.369 1.766 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CC1CCC1 ZINC000234780572 134583487 /nfs/dbraw/zinc/58/34/87/134583487.db2.gz FCUUWGPCFAELJB-NSHDSACASA-N 2 0 200.326 1.130 20 0 BDADRP C[C@@H](c1cccc(Cl)c1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000062013641 134805225 /nfs/dbraw/zinc/80/52/25/134805225.db2.gz DXDRYDXWHVCDKM-JOYOIKCWSA-N 2 0 242.750 1.652 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)CC1CC[NH2+]CC1 ZINC000236745252 134835580 /nfs/dbraw/zinc/83/55/80/134835580.db2.gz LFMGJJAAXGGFLY-UHFFFAOYSA-N 2 0 241.379 1.010 20 0 BDADRP CC[NH+](CC)CC(=O)NC[C@@H](C)[NH+](CC)CC ZINC000068080010 134892953 /nfs/dbraw/zinc/89/29/53/134892953.db2.gz BEHZSWHLLWMVJX-GFCCVEGCSA-N 2 0 243.395 1.175 20 0 BDADRP C[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000249384328 135037617 /nfs/dbraw/zinc/03/76/17/135037617.db2.gz BHGUNCJDHYMXCJ-SGMGOOAPSA-N 2 0 238.375 1.316 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCOC2)C1 ZINC000250364203 135052255 /nfs/dbraw/zinc/05/22/55/135052255.db2.gz UMBLDQGRHRINAJ-NEPJUHHUSA-N 2 0 212.337 1.097 20 0 BDADRP CC[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000250646946 135057257 /nfs/dbraw/zinc/05/72/57/135057257.db2.gz OGCXBMZPWNQLFE-CHWSQXEVSA-N 2 0 228.380 1.733 20 0 BDADRP [NH3+]CCCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000250871798 135060655 /nfs/dbraw/zinc/06/06/55/135060655.db2.gz SOFOEWPWPHHJPR-JHJVBQTASA-N 2 0 225.380 1.236 20 0 BDADRP COC[C@H](C)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000251087309 135063746 /nfs/dbraw/zinc/06/37/46/135063746.db2.gz JJORUJZCSDZZPA-ZOBORPQBSA-N 2 0 240.391 1.779 20 0 BDADRP CCC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000251098956 135064161 /nfs/dbraw/zinc/06/41/61/135064161.db2.gz DBIZBRJBORRAFW-IHRRRGAJSA-N 2 0 240.391 1.564 20 0 BDADRP C[C@H](CO)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000251113397 135064351 /nfs/dbraw/zinc/06/43/51/135064351.db2.gz PJLBJCAMTRHNSM-REWJHTLYSA-N 2 0 240.391 1.515 20 0 BDADRP C[C@H](CCCO)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251187883 135064803 /nfs/dbraw/zinc/06/48/03/135064803.db2.gz INLSAKPEGBTRDC-AGIUHOORSA-N 2 0 226.364 1.364 20 0 BDADRP C[C@H](CC[NH+](C)C)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251169111 135065232 /nfs/dbraw/zinc/06/52/32/135065232.db2.gz DOOALPWVSSBPNZ-MCIONIFRSA-N 2 0 239.407 1.543 20 0 BDADRP C[C@H](CCO)C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000251195101 135065908 /nfs/dbraw/zinc/06/59/08/135065908.db2.gz JUGVEPPFFCIUIB-MGPQQGTHSA-N 2 0 242.407 1.905 20 0 BDADRP C[C@H](O)CCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000251212285 135066145 /nfs/dbraw/zinc/06/61/45/135066145.db2.gz MQCHQAIYIHSWMU-IHRRRGAJSA-N 2 0 240.391 1.564 20 0 BDADRP C[C@H](CCO)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251206980 135066407 /nfs/dbraw/zinc/06/64/07/135066407.db2.gz LQJZEYHAOWBMNM-AGIUHOORSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H](C)CO ZINC000251197351 135066701 /nfs/dbraw/zinc/06/67/01/135066701.db2.gz KAUWMLOBEPWHQS-YNEHKIRRSA-N 2 0 228.380 1.515 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCCO1 ZINC000251455481 135069707 /nfs/dbraw/zinc/06/97/07/135069707.db2.gz CCOCOJRQQBETMJ-CRWXNKLISA-N 2 0 238.375 1.770 20 0 BDADRP C[C@@H]1CCC[C@H]([N@H+](C)CCOCC[NH3+])C1 ZINC000086435502 135084059 /nfs/dbraw/zinc/08/40/59/135084059.db2.gz PBPHZUXDUMNFRF-NEPJUHHUSA-N 2 0 214.353 1.472 20 0 BDADRP Cc1cccc(C[N@H+](C)CCOCC[NH3+])c1 ZINC000086435461 135084588 /nfs/dbraw/zinc/08/45/88/135084588.db2.gz KESWLRWHOHPCAJ-UHFFFAOYSA-N 2 0 222.332 1.402 20 0 BDADRP CC[C@H](CO)[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000086494265 135086669 /nfs/dbraw/zinc/08/66/69/135086669.db2.gz HNZZFHSYVRSVSB-FVCCEPFGSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000086499948 135087377 /nfs/dbraw/zinc/08/73/77/135087377.db2.gz XYAFZZISIRAAQK-FVCCEPFGSA-N 2 0 226.364 1.268 20 0 BDADRP CCCCOCC[N@H+](C)CC(C)(C)C[NH3+] ZINC000086638401 135091863 /nfs/dbraw/zinc/09/18/63/135091863.db2.gz CYKJXAFWWLMAAQ-UHFFFAOYSA-N 2 0 216.369 1.720 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCO[C@H]2C)C1 ZINC000252689865 135097286 /nfs/dbraw/zinc/09/72/86/135097286.db2.gz SLDVMTLEWAVPDO-TUAOUCFPSA-N 2 0 212.337 1.095 20 0 BDADRP C[C@]1(C[NH+]2C[C@@H]3CCC[C@H]3C2)CC[NH2+]C1 ZINC000252704413 135098457 /nfs/dbraw/zinc/09/84/57/135098457.db2.gz NAWATUIMPMSIED-AVGNSLFASA-N 2 0 208.349 1.718 20 0 BDADRP C[C@H](CC[NH+](C)C)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000252711131 135099759 /nfs/dbraw/zinc/09/97/59/135099759.db2.gz IPQUNRKRTJEZPF-AGIUHOORSA-N 2 0 239.407 1.541 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000252746575 135106692 /nfs/dbraw/zinc/10/66/92/135106692.db2.gz BNBMLJVEASXZRL-ODXJTPSBSA-N 2 0 240.391 1.656 20 0 BDADRP Cc1ncccc1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261568081 135110361 /nfs/dbraw/zinc/11/03/61/135110361.db2.gz FHCPVURVTGSRKH-CYBMUJFWSA-N 2 0 219.332 1.561 20 0 BDADRP NC[C@@H]1c2ccccc2CC[N@H+]1C[C@H]1CCOC1 ZINC000252795158 135110586 /nfs/dbraw/zinc/11/05/86/135110586.db2.gz ZYVCRCBZWKDXED-IUODEOHRSA-N 2 0 246.354 1.581 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(C)COC1 ZINC000087197226 135112504 /nfs/dbraw/zinc/11/25/04/135112504.db2.gz NOTFGIYFFXMXGK-IJLUTSLNSA-N 2 0 226.364 1.341 20 0 BDADRP CCC[C@@H]1CCCN(Cc2noc(CN)n2)C1 ZINC000262303392 135117670 /nfs/dbraw/zinc/11/76/70/135117670.db2.gz XUFRSDDOKVFQGF-SNVBAGLBSA-N 2 0 238.335 1.540 20 0 BDADRP CC[C@H](CCO)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000253022334 135119495 /nfs/dbraw/zinc/11/94/95/135119495.db2.gz KYOOFLBEPZMQLV-QJPTWQEYSA-N 2 0 214.353 1.255 20 0 BDADRP Cc1ccc(C[N@H+](C)C[C@@H](O)C[NH3+])cc1C ZINC000258769319 135134299 /nfs/dbraw/zinc/13/42/99/135134299.db2.gz AWADEYXLKUBMJU-ZDUSSCGKSA-N 2 0 222.332 1.055 20 0 BDADRP Cc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cn1 ZINC000257706606 135140261 /nfs/dbraw/zinc/14/02/61/135140261.db2.gz RJXINXHKTGYDMO-UHFFFAOYSA-N 2 0 245.370 1.966 20 0 BDADRP C([C@@H]1CCSC1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257739686 135141197 /nfs/dbraw/zinc/14/11/97/135141197.db2.gz YQQCCEWKYYBERD-QWHCGFSZSA-N 2 0 240.416 1.815 20 0 BDADRP Cc1c[nH]nc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257732591 135141229 /nfs/dbraw/zinc/14/12/29/135141229.db2.gz XJWSCZLTRARZGW-UHFFFAOYSA-N 2 0 234.347 1.294 20 0 BDADRP c1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)nc1 ZINC000259379362 135142641 /nfs/dbraw/zinc/14/26/41/135142641.db2.gz VYTXNFREEZVCSF-AWEZNQCLSA-N 2 0 245.370 1.903 20 0 BDADRP COC[C@H]([NH2+]CCC[NH+]1CCCC1)C1CC1 ZINC000087477680 135143377 /nfs/dbraw/zinc/14/33/77/135143377.db2.gz BGSUGCPOEHFHFL-ZDUSSCGKSA-N 2 0 226.364 1.487 20 0 BDADRP C[NH2+]CCCN(C)Cc1c(C)noc1C ZINC000087472319 135143555 /nfs/dbraw/zinc/14/35/55/135143555.db2.gz PTMTZQOSRYOJGX-UHFFFAOYSA-N 2 0 211.309 1.333 20 0 BDADRP CCN1CCC([NH2+][C@H](COC)C2CC2)CC1 ZINC000087479279 135143784 /nfs/dbraw/zinc/14/37/84/135143784.db2.gz ILUUFXLDHWWVAX-CYBMUJFWSA-N 2 0 226.364 1.485 20 0 BDADRP Cc1ncccc1CN1CC[C@H]([NH3+])[C@H]1C ZINC000261529239 135154871 /nfs/dbraw/zinc/15/48/71/135154871.db2.gz AKZTZPOARFOYGF-PWSUYJOCSA-N 2 0 205.305 1.312 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccsc1 ZINC000261529148 135155027 /nfs/dbraw/zinc/15/50/27/135155027.db2.gz PJKIYYLGGUBRHH-MWLCHTKSSA-N 2 0 210.346 1.836 20 0 BDADRP CCC[NH+]1CCC(N(C)C[C@H](C)[NH3+])CC1 ZINC000261532110 135161626 /nfs/dbraw/zinc/16/16/26/135161626.db2.gz JDUNJOFVPRPBQJ-NSHDSACASA-N 2 0 213.369 1.140 20 0 BDADRP CCOCC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261532260 135162185 /nfs/dbraw/zinc/16/21/85/135162185.db2.gz JUXOIJPJQMRDPT-UHFFFAOYSA-N 2 0 212.337 1.098 20 0 BDADRP CO[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CC[C@H]1C ZINC000261532428 135162740 /nfs/dbraw/zinc/16/27/40/135162740.db2.gz BIKCCUGPRYFJRQ-JHJVBQTASA-N 2 0 226.364 1.343 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCC(F)(F)F ZINC000261532156 135162925 /nfs/dbraw/zinc/16/29/25/135162925.db2.gz JKWSPKVMBCJTKE-QMMMGPOBSA-N 2 0 224.270 1.917 20 0 BDADRP Cc1ccc(F)cc1CN1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261534245 135166848 /nfs/dbraw/zinc/16/68/48/135166848.db2.gz OWHQHNNEVDCCCM-ZWNOBZJWSA-N 2 0 222.307 1.913 20 0 BDADRP C[NH2+]C1CC[NH+](CC(C)(C)COC)CC1 ZINC000261535165 135168950 /nfs/dbraw/zinc/16/89/50/135168950.db2.gz NXOCOFNBEGBQMS-UHFFFAOYSA-N 2 0 214.353 1.343 20 0 BDADRP FCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000261538487 135176367 /nfs/dbraw/zinc/17/63/67/135176367.db2.gz YGNIDJGMBYRTAV-QJPTWQEYSA-N 2 0 214.328 1.856 20 0 BDADRP CCS[C@@H]1CC[C@H]([N@H+](C)C[C@@H](C)[NH3+])C1 ZINC000261538542 135176485 /nfs/dbraw/zinc/17/64/85/135176485.db2.gz YMJFVABIZOGHOM-OUAUKWLOSA-N 2 0 216.394 1.940 20 0 BDADRP CC(C)(O)CC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000261538814 135176965 /nfs/dbraw/zinc/17/69/65/135176965.db2.gz ZKRPKVJKXJTCPT-MNOVXSKESA-N 2 0 214.353 1.255 20 0 BDADRP CSC[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261539265 135177550 /nfs/dbraw/zinc/17/75/50/135177550.db2.gz BZNSXUIEKIOBLO-NEPJUHHUSA-N 2 0 228.405 1.813 20 0 BDADRP CO[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC[C@H]1C ZINC000261539754 135178745 /nfs/dbraw/zinc/17/87/45/135178745.db2.gz BLCNNEUYHAWRPF-XJFOESAGSA-N 2 0 240.391 1.731 20 0 BDADRP COCC(C)(C)C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000261539884 135178950 /nfs/dbraw/zinc/17/89/50/135178950.db2.gz DHHZSGUYUQEVDQ-GHMZBOCLSA-N 2 0 214.353 1.328 20 0 BDADRP CO[C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000261541678 135181847 /nfs/dbraw/zinc/18/18/47/135181847.db2.gz GAVNNBOVMAFDKT-GFCCVEGCSA-N 2 0 212.337 1.097 20 0 BDADRP CCOC(=O)C1CCC([NH2+][C@H](C)[C@H](C)[NH3+])CC1 ZINC000261544612 135186137 /nfs/dbraw/zinc/18/61/37/135186137.db2.gz DZFBDTDUJYZUDV-DMOGRIERSA-N 2 0 242.363 1.434 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCc3ccccc3)C[C@H]12 ZINC000261544970 135186193 /nfs/dbraw/zinc/18/61/93/135186193.db2.gz FLEMVSCIIZWRAK-QLFBSQMISA-N 2 0 230.355 1.898 20 0 BDADRP Cc1cccnc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261549004 135187548 /nfs/dbraw/zinc/18/75/48/135187548.db2.gz KCUWBASWOZJFDN-XQQFMLRXSA-N 2 0 231.343 1.559 20 0 BDADRP Cc1nccc(N[C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000084212749 135192063 /nfs/dbraw/zinc/19/20/63/135192063.db2.gz MNVFKNUKWKUXQP-NXEZZACHSA-N 2 0 206.293 1.324 20 0 BDADRP COC[C@H](C)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000084216624 135192683 /nfs/dbraw/zinc/19/26/83/135192683.db2.gz HMSPJKQFWJVXSM-UTUOFQBUSA-N 2 0 214.353 1.376 20 0 BDADRP CC[N@H+](C)CCN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000084216722 135192725 /nfs/dbraw/zinc/19/27/25/135192725.db2.gz QDEIJOFPMLXHHU-VXGBXAGGSA-N 2 0 213.369 1.045 20 0 BDADRP CCCCOCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000084216368 135192884 /nfs/dbraw/zinc/19/28/84/135192884.db2.gz RJMHDMDKFSENPY-OLZOCXBDSA-N 2 0 228.380 1.910 20 0 BDADRP Cn1cc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cn1 ZINC000084216438 135192952 /nfs/dbraw/zinc/19/29/52/135192952.db2.gz QTOYVEQYCMUEAK-NWDGAFQWSA-N 2 0 222.336 1.027 20 0 BDADRP Cc1ncc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])s1 ZINC000084220481 135193118 /nfs/dbraw/zinc/19/31/18/135193118.db2.gz DSLMSISFLFEDPL-ONGXEEELSA-N 2 0 225.361 1.669 20 0 BDADRP C[C@H]1CC[N@H+](CC2CC[NH2+]CC2)CCS1 ZINC000261553936 135193869 /nfs/dbraw/zinc/19/38/69/135193869.db2.gz SWTJQRRSKRTPLE-NSHDSACASA-N 2 0 228.405 1.813 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1cnn(C)c1 ZINC000261556472 135196952 /nfs/dbraw/zinc/19/69/52/135196952.db2.gz QUBVGYSTWYCJOQ-GMXVVIOVSA-N 2 0 236.363 1.588 20 0 BDADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]C1Cc2ccccc2C1 ZINC000261559321 135200677 /nfs/dbraw/zinc/20/06/77/135200677.db2.gz TXAUUFNXIRKWLB-NHYWBVRUSA-N 2 0 230.355 1.741 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000261565559 135207523 /nfs/dbraw/zinc/20/75/23/135207523.db2.gz HSQWGFAXSTZEIZ-OAHLLOKOSA-N 2 0 246.354 1.792 20 0 BDADRP Cc1cccnc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000163860923 135207890 /nfs/dbraw/zinc/20/78/90/135207890.db2.gz GHMKYNHWJGXXBT-DGCLKSJQSA-N 2 0 233.359 1.807 20 0 BDADRP CC1(C)C[N@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000084384861 135217919 /nfs/dbraw/zinc/21/79/19/135217919.db2.gz ZHKJKWOYIPRTHV-NSHDSACASA-N 2 0 212.337 1.097 20 0 BDADRP Cc1cnn(CC[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000261578731 135220086 /nfs/dbraw/zinc/22/00/86/135220086.db2.gz PAHLNELNJYDJQR-BFHYXJOUSA-N 2 0 248.374 1.251 20 0 BDADRP C[C@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CCN ZINC000261582062 135222893 /nfs/dbraw/zinc/22/28/93/135222893.db2.gz OBJHDRCSEFLTOG-JSGCOSHPSA-N 2 0 218.344 1.898 20 0 BDADRP Cc1c[nH+]ccc1N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261583582 135223987 /nfs/dbraw/zinc/22/39/87/135223987.db2.gz PEOKOIDDPAPPLZ-SDDRHHMPSA-N 2 0 217.316 1.564 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000261591081 135232277 /nfs/dbraw/zinc/23/22/77/135232277.db2.gz UYGCTBQJFWYTSU-FVCCEPFGSA-N 2 0 226.364 1.519 20 0 BDADRP C(C1CCOCC1)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261591762 135232617 /nfs/dbraw/zinc/23/26/17/135232617.db2.gz VOURXFQZOGCXSH-QWHCGFSZSA-N 2 0 224.348 1.097 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC[C@H]1CCCO1 ZINC000261593584 135234041 /nfs/dbraw/zinc/23/40/41/135234041.db2.gz WYHCBKHEUUYBEP-VXGBXAGGSA-N 2 0 226.364 1.533 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccncc3)C[C@H]12 ZINC000261594307 135234642 /nfs/dbraw/zinc/23/46/42/135234642.db2.gz XLXOFCCMXQRUHU-FRRDWIJNSA-N 2 0 217.316 1.251 20 0 BDADRP CCC1(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)CCOCC1 ZINC000261685388 135246130 /nfs/dbraw/zinc/24/61/30/135246130.db2.gz KFPVSFRBJNKJKD-ZDUSSCGKSA-N 2 0 240.391 1.864 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CCOCC2(CC2)C1 ZINC000261749210 135250189 /nfs/dbraw/zinc/25/01/89/135250189.db2.gz CBOXWIRYPYBZDT-UHFFFAOYSA-N 2 0 224.348 1.098 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CCC[C@H]([NH+](C)C)C1 ZINC000084420537 135252454 /nfs/dbraw/zinc/25/24/54/135252454.db2.gz FPFKTGCSUFXKEK-STQMWFEESA-N 2 0 227.396 1.386 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@H]21 ZINC000261785411 135252587 /nfs/dbraw/zinc/25/25/87/135252587.db2.gz PSHUDJCBYOYXDS-MGPQQGTHSA-N 3 0 237.391 1.045 20 0 BDADRP CC[N@H+](CC[C@H]1CCOC1)[C@H]1CCC[NH2+]CC1 ZINC000261782113 135253020 /nfs/dbraw/zinc/25/30/20/135253020.db2.gz FLQVKWLWDABNJI-KBPBESRZSA-N 2 0 240.391 1.877 20 0 BDADRP CC(C)([NH3+])CN1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000261805566 135254508 /nfs/dbraw/zinc/25/45/08/135254508.db2.gz HHFRPOJTTLPIPF-GHMZBOCLSA-N 2 0 228.380 1.453 20 0 BDADRP Cc1ccc2ncc(C[NH2+][C@H](C)CN(C)C)n2c1 ZINC000342233204 135254838 /nfs/dbraw/zinc/25/48/38/135254838.db2.gz SAUXLQTTZOSMBV-GFCCVEGCSA-N 2 0 246.358 1.682 20 0 BDADRP C[C@H]([NH3+])CC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000261812104 135255101 /nfs/dbraw/zinc/25/51/01/135255101.db2.gz LXDYQWYLXCOVMM-SDDRHHMPSA-N 2 0 241.379 1.103 20 0 BDADRP Cc1cc(C[NH+](C)C)cc(NC(=O)C[C@@H](C)[NH3+])c1 ZINC000261904644 135261671 /nfs/dbraw/zinc/26/16/71/135261671.db2.gz ZVWINHREIWMXIF-LLVKDONJSA-N 2 0 249.358 1.732 20 0 BDADRP c1cn(C[C@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]C2)cn1 ZINC000261932043 135264316 /nfs/dbraw/zinc/26/43/16/135264316.db2.gz LREIKDXLGGILBN-UONOGXRCSA-N 3 0 248.374 1.347 20 0 BDADRP Oc1cccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000261950844 135266305 /nfs/dbraw/zinc/26/63/05/135266305.db2.gz FWVKQGKPOINRIA-UHFFFAOYSA-N 2 0 246.354 1.968 20 0 BDADRP COCC1(C)CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000261962536 135267492 /nfs/dbraw/zinc/26/74/92/135267492.db2.gz PJDQQZJUZCLYFA-UHFFFAOYSA-N 2 0 240.391 1.735 20 0 BDADRP COC(=O)C(C)(C)CC[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000261975084 135269071 /nfs/dbraw/zinc/26/90/71/135269071.db2.gz QQXZKNKRAPZIBB-WDEREUQCSA-N 2 0 242.363 1.245 20 0 BDADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)[C@@H]1CCCCO1 ZINC000262001181 135271663 /nfs/dbraw/zinc/27/16/63/135271663.db2.gz PWETVTIEYGOUDY-WTIISPKJSA-N 2 0 226.364 1.804 20 0 BDADRP C[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)[C@H]1CN ZINC000262116238 135279335 /nfs/dbraw/zinc/27/93/35/135279335.db2.gz BKTBOXSDUBHWMS-AAEUAGOBSA-N 2 0 225.380 1.045 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCOCC(F)F)C[C@H]21 ZINC000262116246 135279972 /nfs/dbraw/zinc/27/99/72/135279972.db2.gz LHPZRZHIOOWVGK-GMTAPVOTSA-N 2 0 248.317 1.327 20 0 BDADRP Cc1cccc(C)c1OCC[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000262134078 135281375 /nfs/dbraw/zinc/28/13/75/135281375.db2.gz OLRYKGHWMXYEPH-AWEZNQCLSA-N 2 0 248.370 1.963 20 0 BDADRP c1nc(C2CC[NH+](CC3CC[NH2+]CC3)CC2)c[nH]1 ZINC000262237098 135287569 /nfs/dbraw/zinc/28/75/69/135287569.db2.gz OTECCOPFQINWLG-UHFFFAOYSA-N 2 0 248.374 1.589 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)N1CC[NH+](C2CCC2)CC1 ZINC000262283707 135289608 /nfs/dbraw/zinc/28/96/08/135289608.db2.gz VDNVXTMSPKNRFJ-CYBMUJFWSA-N 2 0 237.391 1.156 20 0 BDADRP CCC(CC)(CC)NCc1noc(CN)n1 ZINC000262212150 135290512 /nfs/dbraw/zinc/29/05/12/135290512.db2.gz LTCCJJXGKMNOGK-UHFFFAOYSA-N 2 0 226.324 1.587 20 0 BDADRP CCC1CC([NH2+]C[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000342672525 135309250 /nfs/dbraw/zinc/30/92/50/135309250.db2.gz CWLVDJIYPNBIKV-JXQTWKCFSA-N 2 0 240.391 1.611 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000262632092 135310141 /nfs/dbraw/zinc/31/01/41/135310141.db2.gz MXCPZDFVHKQOJQ-GHMZBOCLSA-N 2 0 241.379 1.138 20 0 BDADRP CCC1CC([NH2+]C[C@@H]2CCCN2CCOC)C1 ZINC000342743245 135310596 /nfs/dbraw/zinc/31/05/96/135310596.db2.gz ZEOXVSYPEVDXIP-RUXDESIVSA-N 2 0 240.391 1.875 20 0 BDADRP CCCC[C@@H]([NH3+])C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000342716759 135313776 /nfs/dbraw/zinc/31/37/76/135313776.db2.gz DRGSKJLDWWIFMA-YPMHNXCESA-N 2 0 241.379 1.010 20 0 BDADRP Cc1cnc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1C ZINC000342775911 135327273 /nfs/dbraw/zinc/32/72/73/135327273.db2.gz FZANHNKIGYVUNG-STQMWFEESA-N 2 0 248.374 1.397 20 0 BDADRP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000263258725 135343049 /nfs/dbraw/zinc/34/30/49/135343049.db2.gz QQWMPPBTGVMFSI-XJFOESAGSA-N 2 0 238.375 1.125 20 0 BDADRP Cc1nocc1CN(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000334330186 135354369 /nfs/dbraw/zinc/35/43/69/135354369.db2.gz OPBIWIWSOZJKTJ-GXFFZTMASA-N 2 0 237.347 1.755 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@H]2COC(C)(C)C2)CC1 ZINC000335358402 135411297 /nfs/dbraw/zinc/41/12/97/135411297.db2.gz OYFLQEYJXRAEQD-LBPRGKRZSA-N 2 0 226.364 1.485 20 0 BDADRP Cc1cc(C)cc(C[NH+]2CCC(O)(C[NH3+])CC2)c1 ZINC000335624254 135418039 /nfs/dbraw/zinc/41/80/39/135418039.db2.gz AHOVYOMSOQMEBI-UHFFFAOYSA-N 2 0 248.370 1.589 20 0 BDADRP CC[NH+](CC)CCCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000084217735 135466932 /nfs/dbraw/zinc/46/69/32/135466932.db2.gz LFLTUDLEJGFMHY-OLZOCXBDSA-N 2 0 227.396 1.435 20 0 BDADRP Cc1ncsc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000084221843 135468576 /nfs/dbraw/zinc/46/85/76/135468576.db2.gz GLVFQJARSGTOQL-NXEZZACHSA-N 2 0 225.361 1.669 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cccnc1 ZINC000087646142 135509644 /nfs/dbraw/zinc/50/96/44/135509644.db2.gz KCNXCVLFVBDOSV-NWDGAFQWSA-N 2 0 219.332 1.732 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@H]2CCC[C@H]2F)CC1 ZINC000335010002 135865102 /nfs/dbraw/zinc/86/51/02/135865102.db2.gz ZKZSZDXZBAKIQH-HCWSGVFWSA-N 2 0 214.328 1.984 20 0 BDADRP CC(C)([NH3+])CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000346961844 135983645 /nfs/dbraw/zinc/98/36/45/135983645.db2.gz AAOTWCJVYSQHMB-GFCCVEGCSA-N 2 0 225.380 1.141 20 0 BDADRP c1cc2nccc(NC3C[NH2+]C3)c2s1 ZINC000335301367 136020310 /nfs/dbraw/zinc/02/03/10/136020310.db2.gz OFKFYDMYDJXEID-UHFFFAOYSA-N 2 0 205.286 1.102 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2C(F)F)[C@@H](C)C1 ZINC000348185651 136044634 /nfs/dbraw/zinc/04/46/34/136044634.db2.gz QGSOOUUZVCNUDB-ZRUFSTJUSA-N 2 0 232.318 1.960 20 0 BDADRP FC(F)[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000348215895 136045938 /nfs/dbraw/zinc/04/59/38/136045938.db2.gz BUTLZFDGGLYDDM-ZDCRXTMVSA-N 2 0 230.302 1.856 20 0 BDADRP Cc1ccc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)o1 ZINC000335325938 136051638 /nfs/dbraw/zinc/05/16/38/136051638.db2.gz KYGYYABITVEJQF-SNVBAGLBSA-N 2 0 231.299 1.958 20 0 BDADRP Cc1nccn1CCC[N@@H+](C)CCC(C)(C)O ZINC000348268457 136058212 /nfs/dbraw/zinc/05/82/12/136058212.db2.gz BPVHSWVQYGNNGW-UHFFFAOYSA-N 2 0 239.363 1.674 20 0 BDADRP [NH3+][C@H]1Cc2ccccc2N(C[C@@H]2CCC[NH2+]C2)C1 ZINC000335359238 136075416 /nfs/dbraw/zinc/07/54/16/136075416.db2.gz WFPQRIRUNYMZIA-OCCSQVGLSA-N 2 0 245.370 1.376 20 0 BDADRP C[C@@H]([NH3+])C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000335397725 136093020 /nfs/dbraw/zinc/09/30/20/136093020.db2.gz WHRBRKDDZTVLJU-GHMZBOCLSA-N 2 0 212.337 1.273 20 0 BDADRP CC1([NH3+])CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000647531366 397779965 /nfs/dbraw/zinc/77/99/65/397779965.db2.gz RBHIHYWTSZDJMR-UHFFFAOYSA-N 2 0 247.342 1.099 20 0 BDADRP Nc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cn1 ZINC000647542576 397783584 /nfs/dbraw/zinc/78/35/84/397783584.db2.gz OUARVFYDIHMEIH-UHFFFAOYSA-N 2 0 246.358 1.070 20 0 BDADRP CC[NH2+]Cc1ccccc1NC(=O)C[C@@H](C)[NH3+] ZINC000647662620 397812897 /nfs/dbraw/zinc/81/28/97/397812897.db2.gz MFVWSGWXELWEMR-SNVBAGLBSA-N 2 0 235.331 1.472 20 0 BDADRP CC[NH+](CC)[C@@H]1CCN(C[C@H]2CCC[N@@H+]2C)C1 ZINC000649545676 397936495 /nfs/dbraw/zinc/93/64/95/397936495.db2.gz NJKFGRMXUXVQMU-ZIAGYGMSSA-N 2 0 239.407 1.497 20 0 BDADRP COCC[C@H](C)[NH2+]CCC[N@H+](C)CC(C)C ZINC000650130472 397938298 /nfs/dbraw/zinc/93/82/98/397938298.db2.gz WWJZTXJOLZVYER-ZDUSSCGKSA-N 2 0 230.396 1.979 20 0 BDADRP CN1CCC[C@@H]1C[NH2+][C@@H](CCO)c1ccccc1 ZINC000649574055 397962905 /nfs/dbraw/zinc/96/29/05/397962905.db2.gz ZHKKHSNVQKLJIB-CABCVRRESA-N 2 0 248.370 1.794 20 0 BDADRP CC[N@@H+]1CCN(C[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC000649610223 397995637 /nfs/dbraw/zinc/99/56/37/397995637.db2.gz LIUVPWMWTOECRN-CHWSQXEVSA-N 2 0 225.380 1.107 20 0 BDADRP CCc1nc(C)c(CN2CC[C@H]([NH3+])C[C@@H]2C)o1 ZINC000383054102 397995673 /nfs/dbraw/zinc/99/56/73/397995673.db2.gz LSIIBBCNLVQMDH-ONGXEEELSA-N 2 0 237.347 1.857 20 0 BDADRP COCCCC[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000164643688 398000352 /nfs/dbraw/zinc/00/03/52/398000352.db2.gz JRZHALIPDXOQHE-NEPJUHHUSA-N 2 0 214.353 1.330 20 0 BDADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000303305617 398013852 /nfs/dbraw/zinc/01/38/52/398013852.db2.gz QTRLIVARSKBEFJ-ZDUSSCGKSA-N 2 0 242.407 1.811 20 0 BDADRP C[NH+](C)C[C@H]1CCN(CC[NH2+]C(C)(C)C)C1 ZINC000414690171 398019760 /nfs/dbraw/zinc/01/97/60/398019760.db2.gz HGNKBUVWWGFTSY-GFCCVEGCSA-N 2 0 227.396 1.258 20 0 BDADRP CO[C@H](C)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000373311678 398020313 /nfs/dbraw/zinc/02/03/13/398020313.db2.gz SUGAUWDUUGACDU-AAVRWANBSA-N 2 0 238.375 1.437 20 0 BDADRP CC[N@H+](C)C[C@@H]1CCN(C[C@@H]([NH3+])CC(C)C)C1 ZINC000414705273 398021384 /nfs/dbraw/zinc/02/13/84/398021384.db2.gz LIBPHHYBFXBYBA-KBPBESRZSA-N 2 0 241.423 1.633 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@H]3CCC[C@H]32)CC[NH2+]1 ZINC000414763679 398028004 /nfs/dbraw/zinc/02/80/04/398028004.db2.gz NFLYSROMDVKDLP-RQJABVFESA-N 2 0 238.375 1.628 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCNC[C@@](C)(F)C2)CC[NH2+]1 ZINC000414764840 398028074 /nfs/dbraw/zinc/02/80/74/398028074.db2.gz BEKXLAOCUFVXLT-JHJVBQTASA-N 2 0 243.370 1.008 20 0 BDADRP CC(C)(C)[NH2+]CCN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000414765016 398028540 /nfs/dbraw/zinc/02/85/40/398028540.db2.gz FNOGAFQYEDNAMU-VXGBXAGGSA-N 2 0 225.380 1.058 20 0 BDADRP COC[C@H](C)C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000054243815 397972732 /nfs/dbraw/zinc/97/27/32/397972732.db2.gz HPZCPULEFGPAFR-NEPJUHHUSA-N 2 0 214.353 1.200 20 0 BDADRP CC[C@@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186600270 398069860 /nfs/dbraw/zinc/06/98/60/398069860.db2.gz ATRPTZKCJRBTSW-OLZOCXBDSA-N 2 0 227.396 1.401 20 0 BDADRP C[C@H](C[N@@H+]1CCO[C@@H](C[NH3+])C1)C(C)(C)C ZINC000389323123 398073577 /nfs/dbraw/zinc/07/35/77/398073577.db2.gz CYCNEVRSLBAATJ-MNOVXSKESA-N 2 0 214.353 1.328 20 0 BDADRP C[NH+]1CCC(CC[NH2+]Cc2nccs2)CC1 ZINC000222052027 398094276 /nfs/dbraw/zinc/09/42/76/398094276.db2.gz VUXNUMKMEWEJCX-UHFFFAOYSA-N 2 0 239.388 1.965 20 0 BDADRP CC(C)n1nccc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414829567 398051016 /nfs/dbraw/zinc/05/10/16/398051016.db2.gz KZYJMSGJGAUFFW-GFCCVEGCSA-N 2 0 236.363 1.553 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]C[C@@H]1CCCO1 ZINC000086495019 398055295 /nfs/dbraw/zinc/05/52/95/398055295.db2.gz XSGQKRSWJLWIOO-UTUOFQBUSA-N 2 0 212.337 1.286 20 0 BDADRP CC1(C)CCC[NH2+][C@H]1C[NH2+]C[C@H]1CCCOC1 ZINC000414923802 398099972 /nfs/dbraw/zinc/09/99/72/398099972.db2.gz GBJPJNBROVCTOY-OLZOCXBDSA-N 2 0 240.391 1.781 20 0 BDADRP C[NH+]1CCC(C[NH2+]C[C@@H]2CCCOC2)CC1 ZINC000054243342 398101293 /nfs/dbraw/zinc/10/12/93/398101293.db2.gz VBFUQTDEHUZLCC-ZDUSSCGKSA-N 2 0 226.364 1.344 20 0 BDADRP C[C@H](CO)C1CC[NH+](CCn2ccnc2)CC1 ZINC000649800449 398109953 /nfs/dbraw/zinc/10/99/53/398109953.db2.gz UABWYPAEZKKPAS-GFCCVEGCSA-N 2 0 237.347 1.224 20 0 BDADRP C(C[NH2+]C[C@@H]1CCSC1)C[C@@H]1CCC[NH2+]1 ZINC000414969855 398131252 /nfs/dbraw/zinc/13/12/52/398131252.db2.gz UHEARNWMKNPBSE-NWDGAFQWSA-N 2 0 228.405 1.861 20 0 BDADRP CC(C)C[C@@H]([NH3+])CNc1ccc(C[NH3+])cc1 ZINC000107796821 322862557 /nfs/dbraw/zinc/86/25/57/322862557.db2.gz AOSJPURPTKFGSM-GFCCVEGCSA-N 2 0 221.348 1.931 20 0 BDADRP C[N@H+](C[C@@H]1CCC2(CCCC2)O1)C1CC([NH3+])C1 ZINC000385110897 398134393 /nfs/dbraw/zinc/13/43/93/398134393.db2.gz CYNCLTZTMVQMSW-BPCQOVAHSA-N 2 0 238.375 1.900 20 0 BDADRP COc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc1 ZINC000259144874 322882134 /nfs/dbraw/zinc/88/21/34/322882134.db2.gz XMFUXFKVNYFMHK-CYBMUJFWSA-N 2 0 234.343 1.927 20 0 BDADRP C[C@H](CCCCO)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000666172093 487571934 /nfs/dbraw/zinc/57/19/34/487571934.db2.gz ALVOURHWLWVCEM-KGLIPLIRSA-N 2 0 242.407 1.859 20 0 BDADRP CC(C)OCCC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342088826 167216475 /nfs/dbraw/zinc/21/64/75/167216475.db2.gz AQVODVWQMOYNSS-IHRRRGAJSA-N 2 0 240.391 1.861 20 0 BDADRP CC(C)OCC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000163668941 167238036 /nfs/dbraw/zinc/23/80/36/167238036.db2.gz ZGCLQYZWMKLWDW-XQQFMLRXSA-N 2 0 226.364 1.471 20 0 BDADRP CC(C)OC[C@@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000309583953 167255651 /nfs/dbraw/zinc/25/56/51/167255651.db2.gz RFEQUBJLDLHRQJ-GFCCVEGCSA-N 2 0 226.364 1.651 20 0 BDADRP C[NH2+][C@@H]1CCN(C[C@@H](OC)C2CCC2)C1 ZINC000662241052 409528800 /nfs/dbraw/zinc/52/88/00/409528800.db2.gz QGNASPOHFVFIRA-VXGBXAGGSA-N 2 0 212.337 1.095 20 0 BDADRP CO[C@H](C[NH+]1CCC([NH3+])CC1)C1CCC1 ZINC000662241908 409529030 /nfs/dbraw/zinc/52/90/30/409529030.db2.gz YMMGXHHIPRCFHL-GFCCVEGCSA-N 2 0 212.337 1.225 20 0 BDADRP CC[NH2+]CC1CC[NH+](Cc2cc(C)ncn2)CC1 ZINC000662245284 409538426 /nfs/dbraw/zinc/53/84/26/409538426.db2.gz MPLBLDHSWNEDIM-UHFFFAOYSA-N 2 0 248.374 1.607 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662255578 409550670 /nfs/dbraw/zinc/55/06/70/409550670.db2.gz FCNKCJWNJKJXFH-WOPDTQHZSA-N 2 0 224.348 1.238 20 0 BDADRP CC[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@H](C)C(C)C ZINC000662255356 409551342 /nfs/dbraw/zinc/55/13/42/409551342.db2.gz YCKLKMIIRRFKMF-CHWSQXEVSA-N 2 0 240.391 1.874 20 0 BDADRP C1=CCC(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000662274960 409585072 /nfs/dbraw/zinc/58/50/72/409585072.db2.gz ZNRIDYKDBRJDDZ-CHWSQXEVSA-N 2 0 206.333 1.636 20 0 BDADRP CCO[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1C[NH3+] ZINC000662283543 409615461 /nfs/dbraw/zinc/61/54/61/409615461.db2.gz AAGRGGADRUPHRS-ZIAGYGMSSA-N 2 0 240.391 1.862 20 0 BDADRP C[C@H]([NH3+])c1ccc(CNC(=O)CC2([NH3+])CC2)cc1 ZINC000662430001 409711471 /nfs/dbraw/zinc/71/14/71/409711471.db2.gz NGBCDUVSEDPSPB-JTQLQIEISA-N 2 0 247.342 1.204 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC2(CCC2)CC1 ZINC000308731116 409902305 /nfs/dbraw/zinc/90/23/05/409902305.db2.gz TUCZSFUACBWLMN-ZDUSSCGKSA-N 2 0 240.391 1.565 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000429561587 487611567 /nfs/dbraw/zinc/61/15/67/487611567.db2.gz WKHOIWSAJBZYFS-BIMULSAOSA-N 2 0 247.342 1.772 20 0 BDADRP CC(C)C[N@H+](C)CCCNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000653175996 410152471 /nfs/dbraw/zinc/15/24/71/410152471.db2.gz HSEIWTLCTMDJQE-VXGBXAGGSA-N 2 0 243.395 1.064 20 0 BDADRP CC[N@H+](CCCNC(=O)C[NH3+])C1CCCCC1 ZINC000653200743 410161839 /nfs/dbraw/zinc/16/18/39/410161839.db2.gz OKIDXFDLOAMLFN-UHFFFAOYSA-N 2 0 241.379 1.106 20 0 BDADRP C[NH2+]Cc1ccccc1CNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000653213990 410166325 /nfs/dbraw/zinc/16/63/25/410166325.db2.gz BKMFCPXEQXQTER-MNOVXSKESA-N 2 0 249.358 1.006 20 0 BDADRP Cc1ccc(CNCC23CC(C2)C[NH2+]3)nc1 ZINC000663497715 410275590 /nfs/dbraw/zinc/27/55/90/410275590.db2.gz JDHBZULHPBVBIH-UHFFFAOYSA-N 2 0 217.316 1.232 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]Cc1cccc2c1CCC2 ZINC000650703659 410332587 /nfs/dbraw/zinc/33/25/87/410332587.db2.gz KSDKEBJLLMJHHH-LLVKDONJSA-N 2 0 218.344 1.860 20 0 BDADRP C[C@H]1CCC[N@H+](Cc2ccc(N)nc2)[C@@H]1CC[NH3+] ZINC000650712284 410342833 /nfs/dbraw/zinc/34/28/33/410342833.db2.gz ZBYOMUSONGPRQO-WCQYABFASA-N 2 0 248.374 1.443 20 0 BDADRP [NH3+]CC1(CC[NH2+]Cc2nccs2)CC1 ZINC000650712835 410344886 /nfs/dbraw/zinc/34/48/86/410344886.db2.gz WVUMRCCAHJNULJ-UHFFFAOYSA-N 2 0 211.334 1.362 20 0 BDADRP [NH3+]CC1(CC[NH2+][C@@H]2CCCOCC2)CC1 ZINC000650713894 410345265 /nfs/dbraw/zinc/34/52/65/410345265.db2.gz IJYCPMUWEXNIIM-LLVKDONJSA-N 2 0 212.337 1.274 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+]CCC2(C[NH3+])CC2)CC[NH2+]1 ZINC000650713797 410345781 /nfs/dbraw/zinc/34/57/81/410345781.db2.gz CETMBCQEZAXIGZ-NEPJUHHUSA-N 3 0 225.380 1.093 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CCC2(C[NH3+])CC2)[C@@H](C)C1 ZINC000650714317 410347612 /nfs/dbraw/zinc/34/76/12/410347612.db2.gz YMUXLSHHABIKBK-STQMWFEESA-N 3 0 239.407 1.435 20 0 BDADRP C[C@@]1(C[NH2+][C@@H]2CNc3ccccc3C2)CC[NH2+]C1 ZINC000650714986 410348339 /nfs/dbraw/zinc/34/83/39/410348339.db2.gz KLGBGXKZIMYQKT-DZGCQCFKSA-N 2 0 245.370 1.612 20 0 BDADRP CCCC[C@H](COC)[NH2+]CCC1(C[NH3+])CC1 ZINC000650714354 410348384 /nfs/dbraw/zinc/34/83/84/410348384.db2.gz ZVTQBDIYGVJOJO-GFCCVEGCSA-N 2 0 228.380 1.910 20 0 BDADRP COC[C@H](C)C[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650716817 410350769 /nfs/dbraw/zinc/35/07/69/410350769.db2.gz KIGPFIQUVLOKKF-SNVBAGLBSA-N 2 0 240.322 1.657 20 0 BDADRP CC(C)[C@H]1C[C@H]([NH2+]CCC2(C[NH3+])CC2)CCO1 ZINC000650713403 410351048 /nfs/dbraw/zinc/35/10/48/410351048.db2.gz RVYXYYCEPIZYQF-CHWSQXEVSA-N 2 0 240.391 1.909 20 0 BDADRP CCC[NH+]1CCC([NH2+]CCC2(C[NH3+])CC2)CC1 ZINC000650713379 410352025 /nfs/dbraw/zinc/35/20/25/410352025.db2.gz QUAUTFIXBBTTRC-UHFFFAOYSA-N 3 0 239.407 1.579 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCO[C@H]1C ZINC000650719471 410357670 /nfs/dbraw/zinc/35/76/70/410357670.db2.gz RCAYVAWJYSVVSB-SMDDNHRTSA-N 2 0 234.343 1.673 20 0 BDADRP C[C@]1(C[N@@H+]2CC[C@]3(CC3(F)F)C2)CC[NH2+]C1 ZINC000650724924 410360590 /nfs/dbraw/zinc/36/05/90/410360590.db2.gz OZEPVQWFUSATCC-QWRGUYRKSA-N 2 0 230.302 1.717 20 0 BDADRP CN(CC[NH+]1CCCCC1)CC(C)(C)[NH3+] ZINC000650724468 410360648 /nfs/dbraw/zinc/36/06/48/410360648.db2.gz GTKRYGRFFCLKAF-UHFFFAOYSA-N 2 0 213.369 1.141 20 0 BDADRP CC(C)C[C@H]([NH3+])CN(C)CC[NH+]1CCCCC1 ZINC000650724647 410361162 /nfs/dbraw/zinc/36/11/62/410361162.db2.gz JZQQBOKXKGIJEJ-AWEZNQCLSA-N 2 0 241.423 1.778 20 0 BDADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)C1CC[NH+](C)CC1 ZINC000650744174 410380138 /nfs/dbraw/zinc/38/01/38/410380138.db2.gz HYHAZGNXGDDYSN-GFCCVEGCSA-N 3 0 239.407 1.435 20 0 BDADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1cnccn1 ZINC000650744027 410380319 /nfs/dbraw/zinc/38/03/19/410380319.db2.gz DRJDAKPECRYXSJ-JTQLQIEISA-N 2 0 220.320 1.256 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]CCC1(C[NH3+])CC1 ZINC000650745315 410382521 /nfs/dbraw/zinc/38/25/21/410382521.db2.gz DGESOKCNZPZTEF-VHSXEESVSA-N 2 0 200.326 1.128 20 0 BDADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650746169 410382668 /nfs/dbraw/zinc/38/26/68/410382668.db2.gz XQDSNHYYVZSJIL-DGCLKSJQSA-N 2 0 237.391 1.188 20 0 BDADRP [NH3+]CC1(CC[NH2+][C@@H]2CCn3ccnc32)CC1 ZINC000650746517 410385121 /nfs/dbraw/zinc/38/51/21/410385121.db2.gz DUPVJNQWZIZGED-SNVBAGLBSA-N 2 0 220.320 1.047 20 0 BDADRP [NH3+]CC1(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000650746025 410385185 /nfs/dbraw/zinc/38/51/85/410385185.db2.gz ULMWNQKYFFRZBM-OLZOCXBDSA-N 2 0 237.391 1.332 20 0 BDADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1cn[nH]c1 ZINC000650747212 410386092 /nfs/dbraw/zinc/38/60/92/410386092.db2.gz USAQSZPVEBBXLD-VIFPVBQESA-N 2 0 208.309 1.189 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+][C@H]1CNc2ccccc2C1 ZINC000650748100 410386970 /nfs/dbraw/zinc/38/69/70/410386970.db2.gz MZDJARFUQHXIOW-YRGRVCCFSA-N 2 0 231.343 1.493 20 0 BDADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)[C@H]1CCCC[NH2+]1 ZINC000650747712 410387409 /nfs/dbraw/zinc/38/74/09/410387409.db2.gz GDLIMMRQFMZSLK-VXGBXAGGSA-N 3 0 225.380 1.236 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CNc2ccccc2C1 ZINC000650748124 410387589 /nfs/dbraw/zinc/38/75/89/410387589.db2.gz NMWYUQGGODIFNW-YDHLFZDLSA-N 2 0 245.370 1.740 20 0 BDADRP COCC1CCC([NH2+]CCC2(C[NH3+])CC2)CC1 ZINC000650748606 410390651 /nfs/dbraw/zinc/39/06/51/410390651.db2.gz YAMGELQKRZIAOD-UHFFFAOYSA-N 2 0 240.391 1.910 20 0 BDADRP CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650753681 410396964 /nfs/dbraw/zinc/39/69/64/410396964.db2.gz SRNYWFOGZDQIEU-ZJUUUORDSA-N 2 0 240.322 1.797 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCOC[C@H]1C ZINC000650757022 410405308 /nfs/dbraw/zinc/40/53/08/410405308.db2.gz MNPPJORDAKJALC-IUODEOHRSA-N 2 0 248.370 1.921 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](COC)C1CC1 ZINC000650758144 410406578 /nfs/dbraw/zinc/40/65/78/410406578.db2.gz KCVBWZYIHUBYIQ-OAHLLOKOSA-N 2 0 248.370 1.921 20 0 BDADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccncn1 ZINC000650761725 410408856 /nfs/dbraw/zinc/40/88/56/410408856.db2.gz IPNJRLJAIDCCQH-NSHDSACASA-N 2 0 234.347 1.517 20 0 BDADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)[C@@H]1CCCC[NH2+]1 ZINC000650762012 410410274 /nfs/dbraw/zinc/41/02/74/410410274.db2.gz QBHNGWLGQXIFGS-OCCSQVGLSA-N 3 0 239.407 1.496 20 0 BDADRP Cc1nccnc1[C@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650763059 410412253 /nfs/dbraw/zinc/41/22/53/410412253.db2.gz PRDXURXSULLYPY-NSHDSACASA-N 2 0 248.374 1.825 20 0 BDADRP C[C@@H]1OCC[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650762978 410412274 /nfs/dbraw/zinc/41/22/74/410412274.db2.gz OIHZOJOBSPSCLM-CMPLNLGQSA-N 2 0 212.337 1.143 20 0 BDADRP CC[C@H](COC)[NH2+]CCC1CC[NH2+]CC1 ZINC000650763721 410414232 /nfs/dbraw/zinc/41/42/32/410414232.db2.gz HWHVILINCRLYPD-GFCCVEGCSA-N 2 0 214.353 1.391 20 0 BDADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1cnccn1 ZINC000650764024 410414409 /nfs/dbraw/zinc/41/44/09/410414409.db2.gz OOQLIIJDQHWEQD-LLVKDONJSA-N 2 0 234.347 1.517 20 0 BDADRP CO[C@@H](C[NH2+]CCC[NH+]1CCCC1)C1CC1 ZINC000393494068 410703864 /nfs/dbraw/zinc/70/38/64/410703864.db2.gz QXHHIVFMBPIUST-ZDUSSCGKSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H](NCC1([NH3+])CCCC1)c1c[nH+]ccc1N ZINC000665247259 410729892 /nfs/dbraw/zinc/72/98/92/410729892.db2.gz YQXRZWOQNPPOPL-SNVBAGLBSA-N 2 0 234.347 1.416 20 0 BDADRP CC[NH+](CC)CCCN1CCC[C@H]([NH3+])C1 ZINC000070584508 169771490 /nfs/dbraw/zinc/77/14/90/169771490.db2.gz CWSBDBLCGFEEFQ-LBPRGKRZSA-N 2 0 213.369 1.141 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+]CC2)[C@@H](C)O1 ZINC000395042846 410833979 /nfs/dbraw/zinc/83/39/79/410833979.db2.gz JVSJPWKAAJOYTP-WYUUTHIRSA-N 2 0 212.337 1.284 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCCCN1)C1CC[NH+](C)CC1 ZINC000396452296 410881665 /nfs/dbraw/zinc/88/16/65/410881665.db2.gz VPMJKHZLSSISNS-TZMCWYRMSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)C1CC[NH+](C)CC1 ZINC000396458291 410882058 /nfs/dbraw/zinc/88/20/58/410882058.db2.gz OGYMXMUNIAEWDK-AAEUAGOBSA-N 3 0 225.380 1.058 20 0 BDADRP CC(C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000336468291 167094129 /nfs/dbraw/zinc/09/41/29/167094129.db2.gz PBUAVJSMHSELOY-CHWSQXEVSA-N 2 0 226.364 1.362 20 0 BDADRP CC(C)[NH2+]CC[NH2+][C@H]1CCCC12CCOCC2 ZINC000370305011 167107478 /nfs/dbraw/zinc/10/74/78/167107478.db2.gz FDSCSMXWPKVECB-ZDUSSCGKSA-N 2 0 240.391 1.923 20 0 BDADRP COC[C@@H]([NH2+]CC1CC[NH2+]CC1)C1CC1 ZINC000397227593 410916425 /nfs/dbraw/zinc/91/64/25/410916425.db2.gz CTKAUCFYUQCOEA-GFCCVEGCSA-N 2 0 212.337 1.001 20 0 BDADRP CC(C)[C@@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128289908 167380099 /nfs/dbraw/zinc/38/00/99/167380099.db2.gz LKNBBQOHTSMJFG-CQSZACIVSA-N 2 0 241.423 1.648 20 0 BDADRP CC(C)[C@@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000120855024 167382868 /nfs/dbraw/zinc/38/28/68/167382868.db2.gz HKMUALFQDORWJB-ZIAGYGMSSA-N 2 0 241.423 1.504 20 0 BDADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H](CO)CCF)CC1 ZINC000652020237 411023431 /nfs/dbraw/zinc/02/34/31/411023431.db2.gz POUAZHHDHDYXPA-GFCCVEGCSA-N 2 0 246.370 1.559 20 0 BDADRP COCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000106878769 411130312 /nfs/dbraw/zinc/13/03/12/411130312.db2.gz NEKGNHLXZRQBHA-SNVBAGLBSA-N 2 0 200.326 1.095 20 0 BDADRP [NH3+]C1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000400927085 411163639 /nfs/dbraw/zinc/16/36/39/411163639.db2.gz HQWGPNZRDNRTQQ-KPHYFBGPSA-N 3 0 237.391 1.234 20 0 BDADRP CC(C)C[N@H+](C)CCC[NH2+]CC[C@H]1CCOC1 ZINC000651865627 411148208 /nfs/dbraw/zinc/14/82/08/411148208.db2.gz BDBKUNSCQVWTCB-AWEZNQCLSA-N 2 0 242.407 1.981 20 0 BDADRP C[C@H]1CN(CCc2noc3ccccc32)C[C@@H]1[NH3+] ZINC000655941338 411160427 /nfs/dbraw/zinc/16/04/27/411160427.db2.gz QOUZDCKMEGGLMK-JQWIXIFHSA-N 2 0 245.326 1.649 20 0 BDADRP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CCOCC1 ZINC000400923756 411162763 /nfs/dbraw/zinc/16/27/63/411162763.db2.gz GTGFGUZQMPMPEQ-BFHYXJOUSA-N 2 0 238.375 1.391 20 0 BDADRP C[C@H](Cn1ccnc1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401022778 411173614 /nfs/dbraw/zinc/17/36/14/411173614.db2.gz LTCIXYAXSTYFAW-AAVRWANBSA-N 2 0 248.374 1.249 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401063818 411175417 /nfs/dbraw/zinc/17/54/17/411175417.db2.gz KLNJRYIJJAUEDR-XQHKEYJVSA-N 2 0 226.364 1.125 20 0 BDADRP c1csc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000401060195 411175651 /nfs/dbraw/zinc/17/56/51/411175651.db2.gz JIFGBLWCECUOFH-GARJFASQSA-N 2 0 237.372 1.621 20 0 BDADRP CCOCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401104281 411176536 /nfs/dbraw/zinc/17/65/36/411176536.db2.gz DJPCWOUJDMIXSS-QJPTWQEYSA-N 2 0 212.337 1.001 20 0 BDADRP CN(CCC[NH3+])C(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000659290167 411183025 /nfs/dbraw/zinc/18/30/25/411183025.db2.gz JDKCMYNXTIZHDP-CYBMUJFWSA-N 2 0 247.342 1.028 20 0 BDADRP Cc1nccn1CC[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000661700463 411191631 /nfs/dbraw/zinc/19/16/31/411191631.db2.gz MKOPOMWKQLGZAB-STQMWFEESA-N 2 0 235.331 1.160 20 0 BDADRP C[C@@H]([NH2+][C@@H](CO)CCF)C1CC[NH+](C)CC1 ZINC000652305783 411194843 /nfs/dbraw/zinc/19/48/43/411194843.db2.gz IXFMZOKDHUEUQY-ZYHUDNBSSA-N 2 0 232.343 1.027 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CNc3ccccc3C2)C1 ZINC000656193776 411199353 /nfs/dbraw/zinc/19/93/53/411199353.db2.gz RPZLELKLJOKLEP-HZSPNIEDSA-N 2 0 245.370 1.883 20 0 BDADRP C[C@H](Cc1ccccn1)[NH2+]C1CC[NH2+]CC1 ZINC000656193609 411199356 /nfs/dbraw/zinc/19/93/56/411199356.db2.gz OUVIEAVIYXZDTM-LLVKDONJSA-N 2 0 219.332 1.354 20 0 BDADRP C[C@H](Cc1ccccn1)[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000656193343 411200856 /nfs/dbraw/zinc/20/08/56/411200856.db2.gz HIKUJKPJEYSSQQ-MCIONIFRSA-N 2 0 247.386 1.990 20 0 BDADRP Cc1cnc(CC[NH2+][C@H]2CCC[C@@H]2C[NH3+])c(C)c1 ZINC000656199751 411204088 /nfs/dbraw/zinc/20/40/88/411204088.db2.gz BXSVYDYFZNUCHT-HIFRSBDPSA-N 2 0 247.386 1.958 20 0 BDADRP CC[C@@H]1OCC[C@H]1[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000656199857 411204610 /nfs/dbraw/zinc/20/46/10/411204610.db2.gz AJUDAMUXWWYKJY-KXNHARMFSA-N 2 0 212.337 1.413 20 0 BDADRP COC[C@H](CC(C)(C)C)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000656202159 411206416 /nfs/dbraw/zinc/20/64/16/411206416.db2.gz ZEHQTELIFROALT-JQWIXIFHSA-N 2 0 228.380 1.635 20 0 BDADRP C[NH+](C)CCC1CC[NH+](Cc2cnccn2)CC1 ZINC000656422749 411245646 /nfs/dbraw/zinc/24/56/46/411245646.db2.gz VNOAWJVZKZQWGZ-UHFFFAOYSA-N 2 0 248.374 1.640 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652360799 411216796 /nfs/dbraw/zinc/21/67/96/411216796.db2.gz QOYXAVJEWNGDCJ-QJPTWQEYSA-N 2 0 212.337 1.367 20 0 BDADRP CCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652360824 411217109 /nfs/dbraw/zinc/21/71/09/411217109.db2.gz RDHTZALBVBFYBW-XQQFMLRXSA-N 2 0 226.364 1.757 20 0 BDADRP C[C@@H](O)C[N@H+](CC[C@@H]1CCC[NH+]1C)C1CC1 ZINC000653902539 411217721 /nfs/dbraw/zinc/21/77/21/411217721.db2.gz VYKLAABVVIHJGR-NEPJUHHUSA-N 2 0 226.364 1.316 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCCC1(C)C ZINC000310327201 411233199 /nfs/dbraw/zinc/23/31/99/411233199.db2.gz AXFUIGJJKZFBHF-QWHCGFSZSA-N 2 0 242.407 1.856 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@H]1CCC[C@H]1[NH3+] ZINC000422903575 411234740 /nfs/dbraw/zinc/23/47/40/411234740.db2.gz FRQDHOBUBHHWKU-TUAOUCFPSA-N 2 0 213.369 1.186 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CN[C@H](C)C1C[NH2+]C1 ZINC000422905643 411235493 /nfs/dbraw/zinc/23/54/93/411235493.db2.gz IMSZIKSIPWEXAY-DGCLKSJQSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H]([NH2+][C@@H]1C[C@H]1c1ccco1)[C@@H]1CC[NH2+]C1 ZINC000423173922 411237660 /nfs/dbraw/zinc/23/76/60/411237660.db2.gz AOVKHKHUQUBIHQ-DDHJBXDOSA-N 2 0 220.316 1.723 20 0 BDADRP CC[C@@H](O)C[NH2+][C@@H](CC(C)C)CN(C)C ZINC000049555754 411240561 /nfs/dbraw/zinc/24/05/61/411240561.db2.gz YBWYXZZDEMLJFQ-NWDGAFQWSA-N 2 0 216.369 1.323 20 0 BDADRP CCC(O)(CC)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400974522 411167151 /nfs/dbraw/zinc/16/71/51/411167151.db2.gz RBRHYWNACNNHLS-RWMBFGLXSA-N 2 0 240.391 1.515 20 0 BDADRP COCCCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400974493 411167160 /nfs/dbraw/zinc/16/71/60/411167160.db2.gz RBEIKJMVQIILKH-HZSPNIEDSA-N 2 0 240.391 1.781 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400974536 411167504 /nfs/dbraw/zinc/16/75/04/411167504.db2.gz OJCPVLGQMKQPNC-BFHYXJOUSA-N 3 0 239.407 1.306 20 0 BDADRP O[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000400978013 411167817 /nfs/dbraw/zinc/16/78/17/411167817.db2.gz SOIYYYJLGQASHC-RYMFRWLXSA-N 2 0 238.375 1.125 20 0 BDADRP CCC[C@@H]([NH3+])c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000656467622 411279671 /nfs/dbraw/zinc/27/96/71/411279671.db2.gz PWYUXIWFKPPZFG-NXEZZACHSA-N 2 0 223.324 1.003 20 0 BDADRP Cc1cc(C)n(CCN2CC[C@@H]3CC[NH2+][C@@H]3C2)n1 ZINC000649419195 411284129 /nfs/dbraw/zinc/28/41/29/411284129.db2.gz HWQNIAKNTBJBPX-UONOGXRCSA-N 2 0 248.374 1.184 20 0 BDADRP CC[C@@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000658189991 411286134 /nfs/dbraw/zinc/28/61/34/411286134.db2.gz BAIVNXGAASJQIW-XQHKEYJVSA-N 2 0 226.364 1.220 20 0 BDADRP CCOC1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000051919098 411286358 /nfs/dbraw/zinc/28/63/58/411286358.db2.gz JOFBHVRQQDMYLF-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)CC2CC2)CC[N@@H+]1C ZINC000658252120 411314484 /nfs/dbraw/zinc/31/44/84/411314484.db2.gz YQAQSCLMYIKVPQ-XBFCOCLRSA-N 2 0 240.391 1.467 20 0 BDADRP CCN(C)C[C@H](O)C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000656701355 411325263 /nfs/dbraw/zinc/32/52/63/411325263.db2.gz RFRFVWUDLOYXCL-AVGNSLFASA-N 2 0 226.364 1.173 20 0 BDADRP C[C@@H](C[NH2+][C@@H]1CCC[NH2+]CC1)c1ccccn1 ZINC000656784146 411361574 /nfs/dbraw/zinc/36/15/74/411361574.db2.gz YZSQHANTOIHJDR-QWHCGFSZSA-N 2 0 233.359 1.917 20 0 BDADRP CC(C)C[C@H]([NH3+])CN(C)CC(C)(C)[NH3+] ZINC000656785849 411364635 /nfs/dbraw/zinc/36/46/35/411364635.db2.gz RPXNQDDSWVIXKD-JTQLQIEISA-N 2 0 201.358 1.029 20 0 BDADRP C[C@H](CC[NH3+])[NH2+]Cc1ccc2c(c1)C[NH2+]CC2 ZINC000656787123 411366343 /nfs/dbraw/zinc/36/63/43/411366343.db2.gz UOLMUNZNEZQMKH-LLVKDONJSA-N 3 0 233.359 1.159 20 0 BDADRP c1cc2c(cc1CN[C@@H]1CCC[NH2+]C1)C[NH2+]CC2 ZINC000656786814 411366602 /nfs/dbraw/zinc/36/66/02/411366602.db2.gz QZMKSBVUPDOSCB-OAHLLOKOSA-N 2 0 245.370 1.174 20 0 BDADRP COC(=O)CCC[N@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000123476470 411367939 /nfs/dbraw/zinc/36/79/39/411367939.db2.gz SOWHDSMDMCUKSM-RYUDHWBXSA-N 2 0 242.363 1.354 20 0 BDADRP COC[C@H](C)C[NH2+]CC1([NH3+])CCCC1 ZINC000656789283 411369449 /nfs/dbraw/zinc/36/94/49/411369449.db2.gz LHXAEFFNKIPYMQ-SNVBAGLBSA-N 2 0 200.326 1.130 20 0 BDADRP CC(C)[NH+]1CCC(NCC2([NH3+])CCCC2)CC1 ZINC000656789405 411369667 /nfs/dbraw/zinc/36/96/67/411369667.db2.gz OFEJZRNTSRKOFS-UHFFFAOYSA-N 2 0 239.407 1.720 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@]2(C)OC)[C@@H](C)C1 ZINC000658330362 411338099 /nfs/dbraw/zinc/33/80/99/411338099.db2.gz CXUQZWGXELNXBP-RVMXOQNASA-N 2 0 226.364 1.484 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C2CCC2)C1 ZINC000653763485 411344102 /nfs/dbraw/zinc/34/41/02/411344102.db2.gz LZDFPVCYYDQNOS-KBPBESRZSA-N 2 0 240.391 1.421 20 0 BDADRP COCC[C@@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063197258 411348830 /nfs/dbraw/zinc/34/88/30/411348830.db2.gz CBLSLPZMYBFYII-OCCSQVGLSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1CCC[N@H+](Cc2cnn(C)c2)[C@@H]1CC[NH3+] ZINC000404398660 411393242 /nfs/dbraw/zinc/39/32/42/411393242.db2.gz PURXOYVYUIZBRI-DGCLKSJQSA-N 2 0 236.363 1.369 20 0 BDADRP COC[C@H](C)C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404491665 411399597 /nfs/dbraw/zinc/39/95/97/411399597.db2.gz BGEWAIGNIFYKKZ-JHJVBQTASA-N 2 0 228.380 1.718 20 0 BDADRP [NH3+]Cc1cccc(NC(=O)[C@@H]2CCC[NH2+]CC2)c1 ZINC000653043424 411401425 /nfs/dbraw/zinc/40/14/25/411401425.db2.gz VWIPNXATAIUGSZ-GFCCVEGCSA-N 2 0 247.342 1.474 20 0 BDADRP CC(C)O[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000404625105 411402867 /nfs/dbraw/zinc/40/28/67/411402867.db2.gz CDXAXNSWQYPPMP-CHWSQXEVSA-N 2 0 226.364 1.485 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCC[C@@H](OC(C)C)C1 ZINC000404654831 411403197 /nfs/dbraw/zinc/40/31/97/411403197.db2.gz OYICYFNUSHACRS-GFCCVEGCSA-N 2 0 214.353 1.485 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC1(CO)CC1 ZINC000122356957 411430520 /nfs/dbraw/zinc/43/05/20/411430520.db2.gz HPUCVGGNSLVZEG-OLZOCXBDSA-N 2 0 240.391 1.659 20 0 BDADRP CCO[C@@H]1C[N@H+](C[C@H](C)CC(C)C)C[C@H]1C[NH3+] ZINC000405533067 411433791 /nfs/dbraw/zinc/43/37/91/411433791.db2.gz NOAZLWRCHFLZGE-MGPQQGTHSA-N 2 0 242.407 1.964 20 0 BDADRP O[C@@H](C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C[NH+]1CCCC1 ZINC000657325694 411464620 /nfs/dbraw/zinc/46/46/20/411464620.db2.gz JKYXLPVKSKUELS-RFGFWPKPSA-N 2 0 238.375 1.221 20 0 BDADRP CC(C)n1ccnc1C[NH2+]CCCC[NH+](C)C ZINC000657334484 411463822 /nfs/dbraw/zinc/46/38/22/411463822.db2.gz BQSUUPRZGXBITQ-UHFFFAOYSA-N 2 0 238.379 1.895 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414817602 411447413 /nfs/dbraw/zinc/44/74/13/411447413.db2.gz BAIQJMXCRSUWIZ-UPJWGTAASA-N 2 0 227.396 1.338 20 0 BDADRP CC(C)(CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000405972851 411448556 /nfs/dbraw/zinc/44/85/56/411448556.db2.gz VVFHRZRCNCRECG-TXEJJXNPSA-N 2 0 222.376 1.964 20 0 BDADRP CC[C@@H](COC)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414838247 411450642 /nfs/dbraw/zinc/45/06/42/411450642.db2.gz VFQMEWDMFZAYLL-MNOVXSKESA-N 2 0 200.326 1.001 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN[C@@H](C[NH3+])CC(C)C ZINC000414838331 411450946 /nfs/dbraw/zinc/45/09/46/411450946.db2.gz KIEAJNFUQLYPJD-VXGBXAGGSA-N 2 0 215.385 1.323 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C)CCO1 ZINC000414944455 411472773 /nfs/dbraw/zinc/47/27/73/411472773.db2.gz PTNQNYGHCJSZAU-SYQHCUMBSA-N 2 0 240.391 1.778 20 0 BDADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2cccc(O)c2)C1 ZINC000414994146 411480355 /nfs/dbraw/zinc/48/03/55/411480355.db2.gz LUJCRMKANSPYME-AAEUAGOBSA-N 2 0 234.343 1.999 20 0 BDADRP COC[C@H]([NH2+]C1CCC([NH+](C)C)CC1)C1CC1 ZINC000353618535 411490605 /nfs/dbraw/zinc/49/06/05/411490605.db2.gz GESZIGIQUUCOAR-RUXDESIVSA-N 2 0 240.391 1.874 20 0 BDADRP Cc1ncc(C[NH2+]CCC[C@H](C)CO)n1C ZINC000657418971 411501879 /nfs/dbraw/zinc/50/18/79/411501879.db2.gz IBFJVLJVXQRFDP-JTQLQIEISA-N 2 0 225.336 1.227 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000069890697 411505535 /nfs/dbraw/zinc/50/55/35/411505535.db2.gz YNDSRYPAOPNYLM-GFCCVEGCSA-N 2 0 228.380 1.875 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCn3ccnc3C2)CO1 ZINC000657450105 411511610 /nfs/dbraw/zinc/51/16/10/411511610.db2.gz IMUIVGLNWIYYSQ-JHJVBQTASA-N 2 0 249.358 1.603 20 0 BDADRP CC(C)CCOCC[NH2+]CC1([NH3+])CCC1 ZINC000336752547 411514328 /nfs/dbraw/zinc/51/43/28/411514328.db2.gz VUIXXJSHMGIJLN-UHFFFAOYSA-N 2 0 214.353 1.520 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CO1 ZINC000655802513 411518813 /nfs/dbraw/zinc/51/88/13/411518813.db2.gz DVNWVMHSFJSYHJ-KKOKHZNYSA-N 2 0 212.337 1.094 20 0 BDADRP CCOC1CC([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000655805492 411519319 /nfs/dbraw/zinc/51/93/19/411519319.db2.gz OHWHZSKYGDRQSX-UODQLWRSSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cnn(C)c1 ZINC000655805738 411520146 /nfs/dbraw/zinc/52/01/46/411520146.db2.gz KRAFDTPROXQSKQ-WZRBSPASSA-N 2 0 236.363 1.411 20 0 BDADRP COCCC[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806436 411520587 /nfs/dbraw/zinc/52/05/87/411520587.db2.gz VTUIJRYGIMGPJC-RWMBFGLXSA-N 2 0 228.380 1.731 20 0 BDADRP Cc1ccncc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655825074 411527525 /nfs/dbraw/zinc/52/75/25/411527525.db2.gz VQQLDSIHNIKVKT-XBXGTLAGSA-N 2 0 233.359 1.820 20 0 BDADRP CCn1nccc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655827297 411529743 /nfs/dbraw/zinc/52/97/43/411529743.db2.gz QTEGYURNNPEEPB-BJHJDKERSA-N 2 0 236.363 1.333 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]CC2=CCCOC2)C1 ZINC000655827250 411529766 /nfs/dbraw/zinc/52/97/66/411529766.db2.gz OTTPIGRGDPGNJB-BETUJISGSA-N 2 0 224.348 1.263 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOCC2CC2)[C@@H](C)C1 ZINC000358078094 170012069 /nfs/dbraw/zinc/01/20/69/170012069.db2.gz DKAOYPZVBUKNAP-GXTWGEPZSA-N 2 0 240.391 1.733 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+]CC2(OC)CCCC2)C1 ZINC000319508463 170015330 /nfs/dbraw/zinc/01/53/30/170015330.db2.gz XGCGZMJGKOGPLT-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP CC[N@@H+]1CC[C@H](CN[C@@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000360416466 170017365 /nfs/dbraw/zinc/01/73/65/170017365.db2.gz IFGADPOCTBRJGY-MGPQQGTHSA-N 3 0 239.407 1.258 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCSC2)C1 ZINC000037484180 170017383 /nfs/dbraw/zinc/01/73/83/170017383.db2.gz FYNYSHHEZMSPSP-GHMZBOCLSA-N 2 0 214.378 1.423 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCO)C[C@@H]1C ZINC000336650805 170018512 /nfs/dbraw/zinc/01/85/12/170018512.db2.gz TVUZJAMTSLRBLA-RYUDHWBXSA-N 2 0 214.353 1.173 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)CC2(C)COC2)C[C@H]1C ZINC000336713676 170019036 /nfs/dbraw/zinc/01/90/36/170019036.db2.gz STKFNAXWAJJEOL-OLZOCXBDSA-N 2 0 240.391 1.828 20 0 BDADRP CC[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000336885763 170022941 /nfs/dbraw/zinc/02/29/41/170022941.db2.gz AWSZURGFQSPAHL-RWMBFGLXSA-N 2 0 225.380 1.010 20 0 BDADRP CC[N@H+]1C[C@H](NCC[NH+](C)C(C)C)[C@@H](C)C1 ZINC000336674667 170036208 /nfs/dbraw/zinc/03/62/08/170036208.db2.gz AXDSBBBDLCYYMM-STQMWFEESA-N 2 0 227.396 1.256 20 0 BDADRP CCNC(=O)C[NH2+][C@H](C)CCC[NH+](CC)CC ZINC000020049087 170065931 /nfs/dbraw/zinc/06/59/31/170065931.db2.gz IIJHNARCWMEFAQ-GFCCVEGCSA-N 2 0 243.395 1.223 20 0 BDADRP CC[NH2+]Cc1cccc(NC(=O)CC[NH2+]C)c1 ZINC000262176756 170128164 /nfs/dbraw/zinc/12/81/64/170128164.db2.gz KQKXKGQSOVRMCR-UHFFFAOYSA-N 2 0 235.331 1.344 20 0 BDADRP CC[NH2+]Cc1cccc(NC(=O)[C@H]2CC[NH2+]C2)c1 ZINC000124086817 170128271 /nfs/dbraw/zinc/12/82/71/170128271.db2.gz OVELXNHYRHXOOL-LBPRGKRZSA-N 2 0 247.342 1.344 20 0 BDADRP CC(C)C([NH2+]C[C@H](O)C[N@H+](C)C(C)C)C(C)C ZINC000660213396 411553446 /nfs/dbraw/zinc/55/34/46/411553446.db2.gz SQUNTHXQZADFSF-ZDUSSCGKSA-N 2 0 244.423 1.958 20 0 BDADRP CCOC(C)(C)C[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000309050025 170313751 /nfs/dbraw/zinc/31/37/51/170313751.db2.gz QLXJAQSVAPVPLA-GHMZBOCLSA-N 2 0 214.353 1.341 20 0 BDADRP CO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000657790096 411596978 /nfs/dbraw/zinc/59/69/78/411596978.db2.gz NCXKADLYMLIZFJ-LPWJVIDDSA-N 2 0 224.348 1.380 20 0 BDADRP c1ncn2c1CN([C@@H]1C=CCCC1)CC2 ZINC000660579376 411603242 /nfs/dbraw/zinc/60/32/42/411603242.db2.gz WLKFAFOWWVCPOT-LLVKDONJSA-N 2 0 203.289 1.807 20 0 BDADRP CCOC1CCC([NH2+]CCC[NH+](C)C)CC1 ZINC000657819973 411606525 /nfs/dbraw/zinc/60/65/25/411606525.db2.gz ZZPCYFGGLIXYHL-UHFFFAOYSA-N 2 0 228.380 1.875 20 0 BDADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H]1CCOC1)C2 ZINC000660654868 411612992 /nfs/dbraw/zinc/61/29/92/411612992.db2.gz IQVSKNNCYPUUMY-ZIAGYGMSSA-N 2 0 238.375 1.441 20 0 BDADRP C[C@H](O)CC[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660660815 411613707 /nfs/dbraw/zinc/61/37/07/411613707.db2.gz AWGCXOMRKVMIFN-STQMWFEESA-N 2 0 226.364 1.175 20 0 BDADRP Cc1nn(C)cc1C[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000663500809 411684526 /nfs/dbraw/zinc/68/45/26/411684526.db2.gz WFZSSWQQDUSOPS-GFCCVEGCSA-N 2 0 224.352 1.192 20 0 BDADRP CC[C@@H](C)C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000357348188 170707047 /nfs/dbraw/zinc/70/70/47/170707047.db2.gz XDCCBOQGHADHHE-CYBMUJFWSA-N 2 0 242.407 1.857 20 0 BDADRP CCC[C@H](C)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662151734 412009416 /nfs/dbraw/zinc/00/94/16/412009416.db2.gz JWZXLWYWXYJAMT-JSGCOSHPSA-N 2 0 240.391 1.706 20 0 BDADRP CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000664719746 412014852 /nfs/dbraw/zinc/01/48/52/412014852.db2.gz XIBFCXCAAVQYNY-WDEREUQCSA-N 2 0 243.395 1.206 20 0 BDADRP Cc1cc(CN2CC[C@@H]([NH3+])[C@@H](C)C2)nc(C)n1 ZINC000662244879 412041054 /nfs/dbraw/zinc/04/10/54/412041054.db2.gz OJSYWVGGKYLRKD-TVQRCGJNSA-N 2 0 234.347 1.263 20 0 BDADRP CO[C@H](C[N@H+](C)CCC[NH3+])C1CCCCC1 ZINC000662244669 412041088 /nfs/dbraw/zinc/04/10/88/412041088.db2.gz JLSLXQBZIGFICQ-CYBMUJFWSA-N 2 0 228.380 1.862 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](CCO[C@@H]2CC2(F)F)CC1 ZINC000662247572 412044698 /nfs/dbraw/zinc/04/46/98/412044698.db2.gz XUSOMAKGOMLCSS-MWLCHTKSSA-N 2 0 248.317 1.470 20 0 BDADRP C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249938 412046384 /nfs/dbraw/zinc/04/63/84/412046384.db2.gz VSCRIIWQYKSUEZ-XQQFMLRXSA-N 2 0 238.375 1.770 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H](OC)C2CCC2)CC[C@@H]1[NH3+] ZINC000662270437 412060074 /nfs/dbraw/zinc/06/00/74/412060074.db2.gz KTWIITSETNQHAL-KWCYVHTRSA-N 2 0 240.391 1.861 20 0 BDADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249401 412047712 /nfs/dbraw/zinc/04/77/12/412047712.db2.gz MDJWWBMLZNMSSF-RYUDHWBXSA-N 2 0 224.348 1.382 20 0 BDADRP CC1(C)CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662252117 412048884 /nfs/dbraw/zinc/04/88/84/412048884.db2.gz JYQRNTLEFCSDEU-GFCCVEGCSA-N 2 0 238.375 1.629 20 0 BDADRP CCC1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662253768 412048925 /nfs/dbraw/zinc/04/89/25/412048925.db2.gz WKOGKBXIGXSZJD-CYBMUJFWSA-N 2 0 238.375 1.629 20 0 BDADRP OCC[N@H+](Cc1cccc2c1CC[NH2+]C2)C1CC1 ZINC000662251050 412049312 /nfs/dbraw/zinc/04/93/12/412049312.db2.gz WWERGKIYLHHLCK-UHFFFAOYSA-N 2 0 246.354 1.289 20 0 BDADRP CC[C@@H]1CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662252873 412049720 /nfs/dbraw/zinc/04/97/20/412049720.db2.gz QTIWYRXRCXMLDM-OLZOCXBDSA-N 2 0 238.375 1.629 20 0 BDADRP CC(C)[C@@H](C)[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252121 412050115 /nfs/dbraw/zinc/05/01/15/412050115.db2.gz MDHUSJSEGYTEJB-VXGBXAGGSA-N 2 0 226.364 1.484 20 0 BDADRP CC[C@@H]1C[C@H](C)C[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662256603 412051939 /nfs/dbraw/zinc/05/19/39/412051939.db2.gz WSXCCYYUKDPVSW-YNEHKIRRSA-N 2 0 238.375 1.628 20 0 BDADRP CC[C@H](C)C[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662255477 412051995 /nfs/dbraw/zinc/05/19/95/412051995.db2.gz PTTWEOACDYWJSY-RYUDHWBXSA-N 2 0 226.364 1.485 20 0 BDADRP c1ccc2c(c1)C[NH+](C[C@@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000662258798 412052813 /nfs/dbraw/zinc/05/28/13/412052813.db2.gz XTAFKBBVULWAQR-AWEZNQCLSA-N 2 0 244.338 1.523 20 0 BDADRP c1ccc([C@H]2CCCN2C[C@H]2C[NH2+]CCO2)nc1 ZINC000662259739 412053580 /nfs/dbraw/zinc/05/35/80/412053580.db2.gz AVJNSAPCDJOMFK-TZMCWYRMSA-N 2 0 247.342 1.207 20 0 BDADRP CC[C@H](C)C[N@H+](CC)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662258861 412054009 /nfs/dbraw/zinc/05/40/09/412054009.db2.gz MWMPVPJOELXIFE-STQMWFEESA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@@]1(C)CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662258699 412054356 /nfs/dbraw/zinc/05/43/56/412054356.db2.gz ZCDBKUDNOPYZGB-STQMWFEESA-N 2 0 238.375 1.629 20 0 BDADRP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ncn1 ZINC000662265701 412057822 /nfs/dbraw/zinc/05/78/22/412057822.db2.gz HZJWAGGTXXVQFN-IACUBPJLSA-N 2 0 246.358 1.344 20 0 BDADRP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000309573699 171059185 /nfs/dbraw/zinc/05/91/85/171059185.db2.gz OHGNJFVFAKCXCU-JHJVBQTASA-N 2 0 226.364 1.221 20 0 BDADRP CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000051919121 171110356 /nfs/dbraw/zinc/11/03/56/171110356.db2.gz YLBKTLOYNUDGFU-MELADBBJSA-N 2 0 240.391 1.875 20 0 BDADRP C[N@H+](C[C@H](O)C[NH3+])C[C@@H]1CCCCC1(C)C ZINC000662278641 412071037 /nfs/dbraw/zinc/07/10/37/412071037.db2.gz ZTWNGSRGRHBUMG-NWDGAFQWSA-N 2 0 228.380 1.454 20 0 BDADRP CC1(C)CCC[C@@H]1[NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662280439 412071064 /nfs/dbraw/zinc/07/10/64/412071064.db2.gz DNAWVCROTLGIQO-RYUDHWBXSA-N 2 0 238.375 1.676 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1)C1CCC1 ZINC000662280832 412073431 /nfs/dbraw/zinc/07/34/31/412073431.db2.gz GECCOVXTEAQBCX-KWCYVHTRSA-N 2 0 240.391 1.718 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@@H]1CC[NH+](C)C[C@H]1C ZINC000361038481 171308030 /nfs/dbraw/zinc/30/80/30/171308030.db2.gz PDRUZIFOMQHFAQ-HZSPNIEDSA-N 2 0 241.423 1.647 20 0 BDADRP COCC[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290809 412080259 /nfs/dbraw/zinc/08/02/59/412080259.db2.gz KTMNJMAWRLVAKX-ZDUSSCGKSA-N 2 0 226.364 1.344 20 0 BDADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(C)(C)C[NH+](C)C ZINC000019505672 171394132 /nfs/dbraw/zinc/39/41/32/171394132.db2.gz BCPJNVPIQGSBGI-QWRGUYRKSA-N 2 0 243.395 1.064 20 0 BDADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000262585034 171395903 /nfs/dbraw/zinc/39/59/03/171395903.db2.gz NYFRDJZARYBBCB-DRZSPHRISA-N 2 0 249.358 1.176 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000662312532 412094187 /nfs/dbraw/zinc/09/41/87/412094187.db2.gz HQUNDULDBXLKRD-KBPBESRZSA-N 2 0 240.391 1.877 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000662312534 412094272 /nfs/dbraw/zinc/09/42/72/412094272.db2.gz HQUNDULDBXLKRD-UONOGXRCSA-N 2 0 240.391 1.877 20 0 BDADRP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]CCC[NH3+])cn1 ZINC000662310259 412094846 /nfs/dbraw/zinc/09/48/46/412094846.db2.gz IYWKMFFZQFWIFI-STQMWFEESA-N 2 0 236.363 1.070 20 0 BDADRP C([C@H]1CC[NH2+]C1)[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000662314206 412096882 /nfs/dbraw/zinc/09/68/82/412096882.db2.gz BPOHKBWWHUCTSY-STQMWFEESA-N 2 0 224.348 1.098 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000665236814 412176019 /nfs/dbraw/zinc/17/60/19/412176019.db2.gz VBTIMUMDIFLIKX-SRVKXCTJSA-N 2 0 227.396 1.575 20 0 BDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C/C=C\CO ZINC000665239408 412179641 /nfs/dbraw/zinc/17/96/41/412179641.db2.gz SQVYQGCEBUAUOV-NTQVKLLNSA-N 2 0 226.364 1.435 20 0 BDADRP CC[C@H]([NH2+]C)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000662472770 412188019 /nfs/dbraw/zinc/18/80/19/412188019.db2.gz AUUXPZOCSHUPQC-MNOVXSKESA-N 2 0 243.395 1.077 20 0 BDADRP CO[C@@H](C)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000665244878 412188540 /nfs/dbraw/zinc/18/85/40/412188540.db2.gz YTTYLMAJYFGYSP-IGQOVBAYSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1NCC1([NH3+])CCCC1 ZINC000665247031 412190331 /nfs/dbraw/zinc/19/03/31/412190331.db2.gz UGXFBWZMQIPCAI-VXGBXAGGSA-N 2 0 225.380 1.236 20 0 BDADRP [NH3+][C@H]1C[C@H](NCC2([NH3+])CCCC2)c2ccccc21 ZINC000665246706 412191055 /nfs/dbraw/zinc/19/10/55/412191055.db2.gz LZLXIZMPUIGIBJ-KBPBESRZSA-N 2 0 245.370 1.992 20 0 BDADRP COCc1csc(C[NH2+][C@@H](C)C2C[NH2+]C2)c1 ZINC000665263057 412205520 /nfs/dbraw/zinc/20/55/20/412205520.db2.gz FIDRBJXXCMKSPM-VIFPVBQESA-N 2 0 240.372 1.592 20 0 BDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H](CC)[NH2+]C ZINC000662532578 412207177 /nfs/dbraw/zinc/20/71/77/412207177.db2.gz RRIITTALJGQOLB-NWDGAFQWSA-N 2 0 243.395 1.221 20 0 BDADRP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)O1 ZINC000665265107 412209439 /nfs/dbraw/zinc/20/94/39/412209439.db2.gz PHTPUKKFJWYFOA-FDYHWXHSSA-N 2 0 226.364 1.804 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCCC1CCC1 ZINC000665266732 412211130 /nfs/dbraw/zinc/21/11/30/412211130.db2.gz IKGLKMSVBMAEME-FPMFFAJLSA-N 2 0 240.391 1.909 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662427891 412166597 /nfs/dbraw/zinc/16/65/97/412166597.db2.gz DLHKLSJMPAKTKW-WDEREUQCSA-N 2 0 241.379 1.008 20 0 BDADRP COC1CC(CC[NH2+][C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000665229949 412168914 /nfs/dbraw/zinc/16/89/14/412168914.db2.gz GUNIXHBYHXBVEY-YIOUJQMASA-N 2 0 240.391 1.909 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCc1noc2ccccc21 ZINC000665232142 412169504 /nfs/dbraw/zinc/16/95/04/412169504.db2.gz HBUYQIIPSOHHMB-AAEUAGOBSA-N 2 0 245.326 1.840 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](C)c1ccccn1 ZINC000665231905 412169522 /nfs/dbraw/zinc/16/95/22/412169522.db2.gz APUVOTJWJCCMNE-SRVKXCTJSA-N 2 0 221.348 1.901 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])c1ccccn1 ZINC000665231906 412169615 /nfs/dbraw/zinc/16/96/15/412169615.db2.gz APUVOTJWJCCMNE-WOPDTQHZSA-N 2 0 221.348 1.901 20 0 BDADRP C[C@H](N[C@@H]1CC[N@@H+](C(C)(C)C)C1)[C@H]1CCC[NH2+]1 ZINC000665235869 412174552 /nfs/dbraw/zinc/17/45/52/412174552.db2.gz BHNAJXZDMXYBRG-YNEHKIRRSA-N 2 0 239.407 1.589 20 0 BDADRP CC[C@@H]([NH2+]C)C(=O)NCCCC[NH+](CC)CC ZINC000662681697 412269940 /nfs/dbraw/zinc/26/99/40/412269940.db2.gz BOGFRMPPMMDGTF-GFCCVEGCSA-N 2 0 243.395 1.223 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000665274245 412216667 /nfs/dbraw/zinc/21/66/67/412216667.db2.gz MGQZTSFFPDPSFV-IHRRRGAJSA-N 2 0 239.407 1.448 20 0 BDADRP CCC[N@@H+]1CC[C@@H](N[C@@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000665274302 412216759 /nfs/dbraw/zinc/21/67/59/412216759.db2.gz NEFRJFHHLQVUGP-BFHYXJOUSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000665274665 412217172 /nfs/dbraw/zinc/21/71/72/412217172.db2.gz VLXFNISJNCAOQS-YIZRAAEISA-N 2 0 220.307 1.993 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000665274139 412218182 /nfs/dbraw/zinc/21/81/82/412218182.db2.gz KPBKTTHBRUULMV-BFHYXJOUSA-N 2 0 239.407 1.720 20 0 BDADRP CC[C@@H]([NH2+]CC[C@@H]([NH3+])C(C)C)c1cnn(C)c1 ZINC000665280477 412224397 /nfs/dbraw/zinc/22/43/97/412224397.db2.gz CTGIBOHCXPAYBV-CHWSQXEVSA-N 2 0 238.379 1.834 20 0 BDADRP CC[C@H](Cn1cncn1)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000665281700 412225804 /nfs/dbraw/zinc/22/58/04/412225804.db2.gz JLJKXVBCKFUZSL-VXGBXAGGSA-N 2 0 239.367 1.020 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000665284044 412228597 /nfs/dbraw/zinc/22/85/97/412228597.db2.gz ZKXSHVZAYRERGI-QJPTWQEYSA-N 2 0 213.369 1.077 20 0 BDADRP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1nccn1C ZINC000665283347 412228617 /nfs/dbraw/zinc/22/86/17/412228617.db2.gz MISOWYLQNAVVQT-UNXYVOJBSA-N 2 0 236.363 1.588 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000665283661 412229879 /nfs/dbraw/zinc/22/98/79/412229879.db2.gz RXOHXYOVJJVJNY-JHJVBQTASA-N 2 0 227.396 1.609 20 0 BDADRP CC[C@H](C)[C@@H](C)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665289378 412234985 /nfs/dbraw/zinc/23/49/85/412234985.db2.gz MRDNGXJJGBKAKN-DTWKUNHWSA-N 2 0 238.335 1.165 20 0 BDADRP C[NH2+]C[C@H](C)[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000665298484 412245990 /nfs/dbraw/zinc/24/59/90/412245990.db2.gz WWAGENOBAOBNPH-GARJFASQSA-N 2 0 200.326 1.142 20 0 BDADRP [NH3+]CC1CCC([NH2+]CCOCCF)CC1 ZINC000665299669 412246678 /nfs/dbraw/zinc/24/66/78/412246678.db2.gz RATMREPSGOPZHZ-UHFFFAOYSA-N 2 0 218.316 1.080 20 0 BDADRP CC(C)[C@H](C(=O)NCC[C@H](C)[NH+](C)C)[C@@H](C)[NH3+] ZINC000662636625 412252644 /nfs/dbraw/zinc/25/26/44/412252644.db2.gz ZYXPAXYLYFSZEA-TUAOUCFPSA-N 2 0 243.395 1.062 20 0 BDADRP CC(C)C[C@H]([NH3+])c1noc(CC2([NH3+])CC2)n1 ZINC000663251137 412401161 /nfs/dbraw/zinc/40/11/61/412401161.db2.gz MFPKUDVAASSMKB-QMMMGPOBSA-N 2 0 224.308 1.149 20 0 BDADRP CCn1c(C[NH2+]CCCC[NH3+])nc2ccccc21 ZINC000038046869 172145199 /nfs/dbraw/zinc/14/51/99/172145199.db2.gz QEJWYEBFXXEZBE-UHFFFAOYSA-N 2 0 246.358 1.885 20 0 BDADRP CCn1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cn1 ZINC000126963680 172167943 /nfs/dbraw/zinc/16/79/43/172167943.db2.gz GDPNKRQUGJPDFD-QWRGUYRKSA-N 2 0 222.336 1.072 20 0 BDADRP CCn1cc(C[NH2+]CCCC[NH+](C)C)cn1 ZINC000050539810 172170544 /nfs/dbraw/zinc/17/05/44/172170544.db2.gz XVRPHHXUOOVSBT-UHFFFAOYSA-N 2 0 224.352 1.334 20 0 BDADRP CCn1nc(C)c([C@H](C)[NH2+]CCCC[NH3+])c1C ZINC000045171488 172249115 /nfs/dbraw/zinc/24/91/15/172249115.db2.gz CDNVWIOWZRMJRY-JTQLQIEISA-N 2 0 238.379 1.909 20 0 BDADRP C[NH+](C)CC1CC[NH+](CCCF)CC1 ZINC000361634444 172425394 /nfs/dbraw/zinc/42/53/94/172425394.db2.gz BGKJGVIQINYEQM-UHFFFAOYSA-N 2 0 202.317 1.620 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@](C)(O)CC1 ZINC000336543065 173027275 /nfs/dbraw/zinc/02/72/75/173027275.db2.gz FMLQYTZQVRCBPA-ZIAGYGMSSA-N 2 0 240.391 1.708 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+](CCO)CC1CC1 ZINC000336702086 173027621 /nfs/dbraw/zinc/02/76/21/173027621.db2.gz MZJKKHFUTTVGAQ-CYBMUJFWSA-N 2 0 226.364 1.175 20 0 BDADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CC3(C)COC3)C2)C1 ZINC000339426160 173039908 /nfs/dbraw/zinc/03/99/08/173039908.db2.gz LDDXZRBWCPTWEH-CQSZACIVSA-N 2 0 238.375 1.441 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCCOC2)C1 ZINC000054243340 173040949 /nfs/dbraw/zinc/04/09/49/173040949.db2.gz YXXSRGBUYPEMEL-OLZOCXBDSA-N 2 0 226.364 1.344 20 0 BDADRP C[NH+]1CCN(CCC[NH2+][C@H]2CCC2(C)C)CC1 ZINC000336692143 173080710 /nfs/dbraw/zinc/08/07/10/173080710.db2.gz HKRZQFJTSSLQKF-ZDUSSCGKSA-N 2 0 239.407 1.402 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CC2CC2)[C@H]2CCC[C@H]21 ZINC000367639970 173152973 /nfs/dbraw/zinc/15/29/73/173152973.db2.gz YFPQLUIAEHNQTI-FRRDWIJNSA-N 2 0 208.349 1.859 20 0 BDADRP Cn1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cn1 ZINC000353401918 173154209 /nfs/dbraw/zinc/15/42/09/173154209.db2.gz IYQCVPNVWZMWSP-HZSPNIEDSA-N 2 0 248.374 1.383 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+](CCc3cccnc3)C2)C1 ZINC000292094534 173168167 /nfs/dbraw/zinc/16/81/67/173168167.db2.gz HCUFVGCVXFHEEU-HNNXBMFYSA-N 2 0 245.370 1.652 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000336659448 173346714 /nfs/dbraw/zinc/34/67/14/173346714.db2.gz BXLKWVINXOTVKC-NWDGAFQWSA-N 2 0 212.337 1.097 20 0 BDADRP C[NH2+]CCC[N@H+](C[C@H](C)OC)C(C)C ZINC000336741689 173347387 /nfs/dbraw/zinc/34/73/87/173347387.db2.gz WABYANFHMUJVSA-NSHDSACASA-N 2 0 202.342 1.341 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](CCOc2cccc(C)c2)C1 ZINC000053033307 173370673 /nfs/dbraw/zinc/37/06/73/173370673.db2.gz GCKASEVKXGRYHN-AWEZNQCLSA-N 2 0 248.370 1.915 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@H+](C[C@@H]2CCSC2)C1 ZINC000224609034 173378864 /nfs/dbraw/zinc/37/88/64/173378864.db2.gz KKEHBGARZMRBAL-NEPJUHHUSA-N 2 0 228.405 1.671 20 0 BDADRP C[NH2+]C[C@H]1CCCN1CCOCC(C)C ZINC000234375569 173380084 /nfs/dbraw/zinc/38/00/84/173380084.db2.gz BGXUVQAEMBVYDY-GFCCVEGCSA-N 2 0 214.353 1.343 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)CC[C@@H](C)[NH3+])c1 ZINC000296407538 173389671 /nfs/dbraw/zinc/38/96/71/173389671.db2.gz LXSMNLUDUHTZPC-SNVBAGLBSA-N 2 0 235.331 1.472 20 0 BDADRP COC1(C[NH2+]CC2=CC[N@H+](C)CC2)CCCC1 ZINC000319647570 174001482 /nfs/dbraw/zinc/00/14/82/174001482.db2.gz PIOFDCJSAGUVLV-UHFFFAOYSA-N 2 0 238.375 1.797 20 0 BDADRP COC1(C[C@H](C)[NH2+]CCC[NH+](C)C)CCC1 ZINC000309679354 174008012 /nfs/dbraw/zinc/00/80/12/174008012.db2.gz ZAJUYZCTKHBCML-LBPRGKRZSA-N 2 0 228.380 1.875 20 0 BDADRP COCC(C)(C)C[NH2+][C@H](C)CCCC[NH3+] ZINC000336717162 174074919 /nfs/dbraw/zinc/07/49/19/174074919.db2.gz XVQNCMKTSZVCIR-LLVKDONJSA-N 2 0 216.369 1.766 20 0 BDADRP COCC1(CC[NH2+][C@H]2CN(C)C[C@@H]2C)CCC1 ZINC000339457303 174095897 /nfs/dbraw/zinc/09/58/97/174095897.db2.gz JCOUNGWIJDQYBE-STQMWFEESA-N 2 0 240.391 1.733 20 0 BDADRP COCC1(C[NH2+]CC(C)C)CC[NH2+]CC1 ZINC000234619636 174102898 /nfs/dbraw/zinc/10/28/98/174102898.db2.gz FXESIDYOSGNICZ-UHFFFAOYSA-N 2 0 214.353 1.248 20 0 BDADRP COCC1(C[NH2+]C[C@H]2C[C@H]2C)CC[NH2+]CC1 ZINC000234712948 174103473 /nfs/dbraw/zinc/10/34/73/174103473.db2.gz HOSPFNJABALIJQ-VXGBXAGGSA-N 2 0 226.364 1.248 20 0 BDADRP COCC1(C[NH2+][C@@H](C)CCC[NH3+])CCC1 ZINC000308879748 174103645 /nfs/dbraw/zinc/10/36/45/174103645.db2.gz DTFFBDMVRRYHMW-NSHDSACASA-N 2 0 214.353 1.520 20 0 BDADRP COCC1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000070081114 174120485 /nfs/dbraw/zinc/12/04/85/174120485.db2.gz KVPRWASZURRKSW-CYBMUJFWSA-N 2 0 240.391 1.735 20 0 BDADRP COCC1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000069633084 174121124 /nfs/dbraw/zinc/12/11/24/174121124.db2.gz FYRSJVSDJMLABK-ZDUSSCGKSA-N 2 0 226.364 1.344 20 0 BDADRP COCCC(C)(C)C[NH2+][C@H](C)CCC[NH3+] ZINC000336666839 174144482 /nfs/dbraw/zinc/14/44/82/174144482.db2.gz DSJNVGHIEMUKRI-LLVKDONJSA-N 2 0 216.369 1.766 20 0 BDADRP COCCC1(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000234892710 174155861 /nfs/dbraw/zinc/15/58/61/174155861.db2.gz FKKMHQICUYODFP-OLZOCXBDSA-N 2 0 240.391 1.910 20 0 BDADRP COCCCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000336672928 174195271 /nfs/dbraw/zinc/19/52/71/174195271.db2.gz GRIZIJMPAYCSHL-QJPTWQEYSA-N 2 0 212.337 1.082 20 0 BDADRP COCCC[C@H](C)[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000377803740 174264632 /nfs/dbraw/zinc/26/46/32/174264632.db2.gz ZNCJXGXCRRFFPJ-QWRGUYRKSA-N 2 0 237.347 1.672 20 0 BDADRP COCC[N@H+](C)CCC[NH2+]C[C@H]1CCSC1 ZINC000336775872 174274993 /nfs/dbraw/zinc/27/49/93/174274993.db2.gz CXTOWLPUDGRXJK-GFCCVEGCSA-N 2 0 246.420 1.297 20 0 BDADRP COCC[N@H+](CC(C)C)C[C@@H]1CCC[NH2+]C1 ZINC000042370818 174287296 /nfs/dbraw/zinc/28/72/96/174287296.db2.gz ZBPKUTIGAPABQB-CYBMUJFWSA-N 2 0 228.380 1.590 20 0 BDADRP COCC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063199669 174305773 /nfs/dbraw/zinc/30/57/73/174305773.db2.gz ZQAZRKSMSYRGLN-LBPRGKRZSA-N 2 0 212.337 1.097 20 0 BDADRP COCC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000372989644 174306264 /nfs/dbraw/zinc/30/62/64/174306264.db2.gz LMVUKXXVHIGYPR-LLVKDONJSA-N 2 0 200.326 1.049 20 0 BDADRP COCC[C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000045038406 174384158 /nfs/dbraw/zinc/38/41/58/174384158.db2.gz VOZYVQKEKAJHGF-WDEREUQCSA-N 2 0 202.342 1.341 20 0 BDADRP COC[C@]1(C[NH2+][C@@H](C)CC(C)C)CCC[NH2+]1 ZINC000309267480 174617419 /nfs/dbraw/zinc/61/74/19/174617419.db2.gz CZLFIEUQIUWXRG-QWHCGFSZSA-N 2 0 228.380 1.779 20 0 BDADRP COc1ccc(CC[NH2+]CC2([NH3+])CCC2)cc1 ZINC000342131815 175091908 /nfs/dbraw/zinc/09/19/08/175091908.db2.gz MJCMCZDVLPZQLB-UHFFFAOYSA-N 2 0 234.343 1.709 20 0 BDADRP COc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH3+])cc1 ZINC000336666085 175177353 /nfs/dbraw/zinc/17/73/53/175177353.db2.gz LNSXJPADLLOVNN-GHMZBOCLSA-N 2 0 222.332 1.941 20 0 BDADRP COc1ccccc1C[C@H](C)[NH2+]C[C@@H](C)C[NH3+] ZINC000336713168 175334063 /nfs/dbraw/zinc/33/40/63/175334063.db2.gz OFLDRIRUZXMPLC-RYUDHWBXSA-N 2 0 236.359 1.811 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CCCn1cccn1 ZINC000309438205 175663540 /nfs/dbraw/zinc/66/35/40/175663540.db2.gz YVCBLHPGFHGJON-LBPRGKRZSA-N 2 0 224.352 1.380 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CCOc1ccccc1 ZINC000336671556 175665117 /nfs/dbraw/zinc/66/51/17/175665117.db2.gz SJIAJPOUSULCOW-LBPRGKRZSA-N 2 0 222.332 1.782 20 0 BDADRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)C1CCCCC1 ZINC000039170979 175880086 /nfs/dbraw/zinc/88/00/86/175880086.db2.gz ROZHQQLQWGEQJL-CYBMUJFWSA-N 2 0 239.407 1.450 20 0 BDADRP C[C@@H](c1ccncc1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527594 176034920 /nfs/dbraw/zinc/03/49/20/176034920.db2.gz WYORQDPAPJCERW-NWDGAFQWSA-N 2 0 219.332 1.813 20 0 BDADRP C[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C[C@@H]1C ZINC000135189654 176168609 /nfs/dbraw/zinc/16/86/09/176168609.db2.gz NCWKGMQEBPJAIB-NEPJUHHUSA-N 2 0 210.365 1.964 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2cccc(O)c2)C[C@H]1C[NH3+] ZINC000253183881 176176135 /nfs/dbraw/zinc/17/61/35/176176135.db2.gz GUKHCDKCVBEHKE-DGCLKSJQSA-N 2 0 234.343 1.809 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCCF ZINC000336685824 176268984 /nfs/dbraw/zinc/26/89/84/176268984.db2.gz LDERBPSCLZKDIB-MNOVXSKESA-N 2 0 202.317 1.666 20 0 BDADRP C[C@@H]1C[N@H+](CCCCCF)CC[C@@H]1[NH3+] ZINC000336678099 176288415 /nfs/dbraw/zinc/28/84/15/176288415.db2.gz DWBVGVGAMCJXDS-MNOVXSKESA-N 2 0 202.317 1.795 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000044510336 176294309 /nfs/dbraw/zinc/29/43/09/176294309.db2.gz IMXDXAUKJSDLQD-WOPDTQHZSA-N 2 0 212.337 1.225 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)CCCO1 ZINC000336339502 176294867 /nfs/dbraw/zinc/29/48/67/176294867.db2.gz DMCIAUJLENBEFD-ZIAGYGMSSA-N 2 0 240.391 1.972 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000051918902 176294940 /nfs/dbraw/zinc/29/49/40/176294940.db2.gz GWYJDDLMWLDDIN-NEPJUHHUSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CCSC2)CC[C@@H]1[NH3+] ZINC000261529555 176300576 /nfs/dbraw/zinc/30/05/76/176300576.db2.gz TWBHURMPEJXOKN-MXWKQRLJSA-N 2 0 214.378 1.409 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccc3c(c2)CCO3)CC[C@@H]1[NH3+] ZINC000094339193 176304105 /nfs/dbraw/zinc/30/41/05/176304105.db2.gz DWOCUSGNTOAVIR-RISCZKNCSA-N 2 0 246.354 1.791 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccncc2)C[C@@]1(C)C[NH3+] ZINC000309396651 176308725 /nfs/dbraw/zinc/30/87/25/176308725.db2.gz GKJPTWCFCNLNPE-DGCLKSJQSA-N 2 0 219.332 1.498 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000332031901 176327890 /nfs/dbraw/zinc/32/78/90/176327890.db2.gz SZCWABCKDALOMM-QPKOPYBWSA-N 2 0 245.370 1.719 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000332031900 176327967 /nfs/dbraw/zinc/32/79/67/176327967.db2.gz SZCWABCKDALOMM-KJEVXHAQSA-N 2 0 245.370 1.719 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000300803209 176342536 /nfs/dbraw/zinc/34/25/36/176342536.db2.gz FJYSJATXLFENEK-VOAKCMCISA-N 2 0 226.364 1.484 20 0 BDADRP C[C@@H]1C[C@@H](C[N@H+](C)Cc2ccncc2)CC[NH2+]1 ZINC000235379964 176367881 /nfs/dbraw/zinc/36/78/81/176367881.db2.gz YUYTXUUWKAKWLV-OCCSQVGLSA-N 2 0 233.359 1.902 20 0 BDADRP C[C@@H]1C[C@@H](C[NH+]2CCSCC2)CC[NH2+]1 ZINC000235381981 176368653 /nfs/dbraw/zinc/36/86/53/176368653.db2.gz CGHUVRARBRLIRI-MNOVXSKESA-N 2 0 214.378 1.423 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000336777890 176396208 /nfs/dbraw/zinc/39/62/08/176396208.db2.gz JTJDEQUTWQVTCC-VXGBXAGGSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H](CO)C2CC2)CC[N@@H+]1C ZINC000336741613 176422591 /nfs/dbraw/zinc/42/25/91/176422591.db2.gz NHHLJFKHTXMYPP-RAIGVLPGSA-N 2 0 226.364 1.077 20 0 BDADRP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000331861610 176606123 /nfs/dbraw/zinc/60/61/23/176606123.db2.gz AJPNOENWKCAWTG-IJLUTSLNSA-N 2 0 228.380 1.786 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000336679174 176620972 /nfs/dbraw/zinc/62/09/72/176620972.db2.gz FTFHPAYQSNAHKM-MXWKQRLJSA-N 2 0 200.326 1.271 20 0 BDADRP C[C@H](CCn1cccn1)[NH2+]CCC[NH+](C)C ZINC000134629019 176642637 /nfs/dbraw/zinc/64/26/37/176642637.db2.gz PDHPIZRFQBEVHF-GFCCVEGCSA-N 2 0 224.352 1.203 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CCCOCC1)C[NH+](C)C ZINC000308915333 176683124 /nfs/dbraw/zinc/68/31/24/176683124.db2.gz NPXKQSSRVXGRLK-VXGBXAGGSA-N 2 0 214.353 1.343 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000300415644 176689843 /nfs/dbraw/zinc/68/98/43/176689843.db2.gz XTXMTVKUYCCXRQ-RFQIPJPRSA-N 2 0 242.407 1.713 20 0 BDADRP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000305141384 177000317 /nfs/dbraw/zinc/00/03/17/177000317.db2.gz QFOXEDJOIHQZHU-ZUWCUPBKSA-N 2 0 242.407 1.712 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(CCO)CCC1 ZINC000358294160 177233886 /nfs/dbraw/zinc/23/38/86/177233886.db2.gz JCEBHACSALCCAP-QWHCGFSZSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(C(F)F)CC1 ZINC000309750364 177234227 /nfs/dbraw/zinc/23/42/27/177234227.db2.gz GODXGLXDGAZTDP-VHSXEESVSA-N 2 0 232.318 1.962 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccc3c[nH]nc3c2)CC[C@H]1[NH3+] ZINC000336537749 177263753 /nfs/dbraw/zinc/26/37/53/177263753.db2.gz IEBAYBHRRZGWPX-GXFFZTMASA-N 2 0 244.342 1.732 20 0 BDADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCc1cccnc1 ZINC000122338551 177361897 /nfs/dbraw/zinc/36/18/97/177361897.db2.gz WQGMZIPGEJQBKQ-WCQYABFASA-N 2 0 219.332 1.293 20 0 BDADRP C[C@H]1C[C@H](C[NH+]2CCC([NH+](C)C)CC2)CCO1 ZINC000334253324 177362617 /nfs/dbraw/zinc/36/26/17/177362617.db2.gz XAYQGZXJXUBRGL-QWHCGFSZSA-N 2 0 240.391 1.828 20 0 BDADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCOc1ccccc1 ZINC000042896796 177364905 /nfs/dbraw/zinc/36/49/05/177364905.db2.gz DQPXIWALSRBRSJ-QWHCGFSZSA-N 2 0 234.343 1.877 20 0 BDADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000295120750 177396224 /nfs/dbraw/zinc/39/62/24/177396224.db2.gz NFIMQRIIMMDSHJ-ZWNOBZJWSA-N 2 0 247.342 1.472 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000328276570 487641941 /nfs/dbraw/zinc/64/19/41/487641941.db2.gz QWUHCPJUENBEAU-IHRRRGAJSA-N 2 0 239.407 1.543 20 0 BDADRP c1ccc2c(c1)CC[NH+](C[C@@H]1CC[NH2+]C1)CC2 ZINC000079572230 487642328 /nfs/dbraw/zinc/64/23/28/487642328.db2.gz DLKLQEREHNLNKQ-CYBMUJFWSA-N 2 0 230.355 1.697 20 0 BDADRP COCC[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400391887 225150452 /nfs/dbraw/zinc/15/04/52/225150452.db2.gz NMUPEBJRPDIANY-AXFHLTTASA-N 2 0 200.326 1.142 20 0 BDADRP C[C@H]1C[C@H]1C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000488293856 225363006 /nfs/dbraw/zinc/36/30/06/225363006.db2.gz GGJOGGMLQUDZOY-STQMWFEESA-N 2 0 240.391 1.421 20 0 BDADRP C[C@@]1(CO)CCC[C@@H]1[NH2+]CCN1CCCCC1 ZINC000493631537 226246922 /nfs/dbraw/zinc/24/69/22/226246922.db2.gz CZJQWVWFRHHXDA-KBPBESRZSA-N 2 0 240.391 1.613 20 0 BDADRP C[C@]1(CO)CCC[C@@H]1[NH2+]CCN1CCCCC1 ZINC000493631539 226246972 /nfs/dbraw/zinc/24/69/72/226246972.db2.gz CZJQWVWFRHHXDA-UONOGXRCSA-N 2 0 240.391 1.613 20 0 BDADRP COCCOCCCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400719015 226350059 /nfs/dbraw/zinc/35/00/59/226350059.db2.gz NXTLYLUERSLOBU-STQMWFEESA-N 2 0 244.379 1.160 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCCO1 ZINC000400978674 226352338 /nfs/dbraw/zinc/35/23/38/226352338.db2.gz SVZWTRXKAFCHAI-MEBFFEOJSA-N 2 0 238.375 1.532 20 0 BDADRP C[C@@H]1C[N@H+](CCCc2cncn2C)CC[C@@H]1[NH3+] ZINC000314012845 487656651 /nfs/dbraw/zinc/65/66/51/487656651.db2.gz NVYKCWYPSUMGSX-YPMHNXCESA-N 2 0 236.363 1.022 20 0 BDADRP CCC[NH2+]CC[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000643515090 487661693 /nfs/dbraw/zinc/66/16/93/487661693.db2.gz BMUCJHWBYKJQQS-NWDGAFQWSA-N 2 0 214.353 1.533 20 0 BDADRP C[C@H](C[NH2+]CC[C@H]1CCOC1)C[NH+]1CCCC1 ZINC000400535321 229239977 /nfs/dbraw/zinc/23/99/77/229239977.db2.gz IXVQWYYSRGGQNG-KGLIPLIRSA-N 2 0 240.391 1.735 20 0 BDADRP CO[C@H]1C[C@@H]([N@H+](C)CC[C@H]2CCC[NH+]2C)C1 ZINC000510091832 229290435 /nfs/dbraw/zinc/29/04/35/229290435.db2.gz JHCWCILQXFMPTC-UPJWGTAASA-N 2 0 226.364 1.580 20 0 BDADRP CCC1(C[NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000233043656 487688368 /nfs/dbraw/zinc/68/83/68/487688368.db2.gz AWJGZFNKZCWKPD-LBPRGKRZSA-N 2 0 226.364 1.223 20 0 BDADRP CC[C@H](c1ccccc1)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000397087887 262832885 /nfs/dbraw/zinc/83/28/85/262832885.db2.gz IYGNPZXCEQKQQB-CQSZACIVSA-N 2 0 248.370 1.923 20 0 BDADRP CCC[C@@H](C)[NH2+][C@H](CCC[NH3+])COC ZINC000233279438 487704742 /nfs/dbraw/zinc/70/47/42/487704742.db2.gz SSCYTBBADGXPEJ-GHMZBOCLSA-N 2 0 202.342 1.519 20 0 BDADRP CCC[C@H](C)[NH2+][C@H](CCC[NH3+])COC ZINC000233338901 487711288 /nfs/dbraw/zinc/71/12/88/487711288.db2.gz SSCYTBBADGXPEJ-WDEREUQCSA-N 2 0 202.342 1.519 20 0 BDADRP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H](C)[NH+](C)C ZINC000088277595 487716509 /nfs/dbraw/zinc/71/65/09/487716509.db2.gz IWRLDQYBDWGJJQ-NEPJUHHUSA-N 2 0 243.395 1.064 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CS[C@@H](C)C2)C1 ZINC000086935226 487728160 /nfs/dbraw/zinc/72/81/60/487728160.db2.gz XYMOCFXISOBEHS-QJPTWQEYSA-N 2 0 228.405 1.812 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)[NH3+])C1(C)C ZINC000233745552 487738999 /nfs/dbraw/zinc/73/89/99/487738999.db2.gz VUULUWLACQZUCG-OPRDCNLKSA-N 2 0 200.326 1.127 20 0 BDADRP C[C@@H](CCCCO)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000666152656 487741019 /nfs/dbraw/zinc/74/10/19/487741019.db2.gz IXVHGXMSDCERFR-LBPRGKRZSA-N 2 0 247.342 1.975 20 0 BDADRP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)[nH]n1 ZINC000671748172 487743278 /nfs/dbraw/zinc/74/32/78/487743278.db2.gz JZYJZLUANHRDHB-MCIONIFRSA-N 2 0 248.374 1.681 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000289300137 487747269 /nfs/dbraw/zinc/74/72/69/487747269.db2.gz RZPAKIABZLGOTN-RAIGVLPGSA-N 2 0 247.342 1.025 20 0 BDADRP CC[C@@H]1C[N@H+](CC2CCOCC2)CC[C@H]1[NH3+] ZINC000251577336 487771032 /nfs/dbraw/zinc/77/10/32/487771032.db2.gz CDUMVBXKIJGCDL-CHWSQXEVSA-N 2 0 226.364 1.472 20 0 BDADRP CC(C)(C)C[NH2+]CC1([NH3+])CCOCC1 ZINC000149783005 487779325 /nfs/dbraw/zinc/77/93/25/487779325.db2.gz MWSYOGJDSVCLHH-UHFFFAOYSA-N 2 0 200.326 1.130 20 0 BDADRP C[NH2+]C1CC[NH+](C[C@H]2CCO[C@@H]2C)CC1 ZINC000234346245 487803616 /nfs/dbraw/zinc/80/36/16/487803616.db2.gz AEKWCKDOMFMDRR-GHMZBOCLSA-N 2 0 212.337 1.095 20 0 BDADRP CCO[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000300146546 487805044 /nfs/dbraw/zinc/80/50/44/487805044.db2.gz XSQFNTZVWFAPIN-MGPQQGTHSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)[C@H]1CCCO1 ZINC000415088348 487809191 /nfs/dbraw/zinc/80/91/91/487809191.db2.gz UYFCAHAUMCBDIG-UMSGYPCISA-N 2 0 226.364 1.532 20 0 BDADRP C[C@](CO)([NH2+]CCC[NH3+])C1CCCCC1 ZINC000414708290 487818620 /nfs/dbraw/zinc/81/86/20/487818620.db2.gz NPJPMKQBUDEOSU-GFCCVEGCSA-N 2 0 214.353 1.256 20 0 BDADRP C[C@H]1CC[N@H+](CCC[NH3+])C[C@H]1n1ccnc1 ZINC000414709016 487819328 /nfs/dbraw/zinc/81/93/28/487819328.db2.gz OKPLVPBWFGQAKQ-NWDGAFQWSA-N 2 0 222.336 1.115 20 0 BDADRP COc1ccc2c(c1)CC[N@@H+](CCC[NH3+])CC2 ZINC000414752549 487821514 /nfs/dbraw/zinc/82/15/14/487821514.db2.gz UPMRKAYEALWDPK-UHFFFAOYSA-N 2 0 234.343 1.445 20 0 BDADRP CC1(C[NH2+]CCCN2CC[NH2+]CC2)CCC1 ZINC000414776565 487824215 /nfs/dbraw/zinc/82/42/15/487824215.db2.gz FQWPCXZOQWRQMB-UHFFFAOYSA-N 2 0 225.380 1.062 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]Cc1scnc1C1CC1 ZINC000414869266 487826370 /nfs/dbraw/zinc/82/63/70/487826370.db2.gz AJWCQEXHLONKTC-QMMMGPOBSA-N 2 0 225.361 1.705 20 0 BDADRP C[C@H](c1ccncc1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252699132 487829618 /nfs/dbraw/zinc/82/96/18/487829618.db2.gz RGLYGXPXPRZNHJ-IJLUTSLNSA-N 2 0 219.332 1.812 20 0 BDADRP C[C@@H](C[NH2+]CCC[NH3+])Cc1cccs1 ZINC000415087460 487836339 /nfs/dbraw/zinc/83/63/39/487836339.db2.gz UQGTZKWBXCNRAG-SNVBAGLBSA-N 2 0 212.362 1.865 20 0 BDADRP COc1cc(CC[NH2+]CCC[NH3+])ccc1C ZINC000415085960 487836129 /nfs/dbraw/zinc/83/61/29/487836129.db2.gz RJAKCLSHFOEWOD-UHFFFAOYSA-N 2 0 222.332 1.485 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](CCO)C2)CC[NH2+]1 ZINC000666638442 487849604 /nfs/dbraw/zinc/84/96/04/487849604.db2.gz OGUIOMYELKHVQV-MGPQQGTHSA-N 2 0 240.391 1.469 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CCC[C@H](CCO)C1 ZINC000666638408 487849936 /nfs/dbraw/zinc/84/99/36/487849936.db2.gz LXZPYHRXDVZWRN-CHWSQXEVSA-N 2 0 228.380 1.454 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+]C2(CO)CCCCC2)CC[NH2+]1 ZINC000666654993 487851896 /nfs/dbraw/zinc/85/18/96/487851896.db2.gz YHPQYVBUCSTGCF-CHWSQXEVSA-N 2 0 240.391 1.659 20 0 BDADRP C(C[N@@H+]1CC[C@H](N2CCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000089749468 487852486 /nfs/dbraw/zinc/85/24/86/487852486.db2.gz GDFVPWRMLFEQFA-KBPBESRZSA-N 2 0 237.391 1.156 20 0 BDADRP c1ccc2c(c1)C[N@H+](CC[C@H]1CC[NH2+]C1)CCO2 ZINC000089749483 487852575 /nfs/dbraw/zinc/85/25/75/487852575.db2.gz VRZGBQKIEKFLJZ-CYBMUJFWSA-N 2 0 246.354 1.881 20 0 BDADRP C[C@H]([NH2+][C@@H]1CO[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000401819940 487863612 /nfs/dbraw/zinc/86/36/12/487863612.db2.gz JJZBFULAUQWPRY-MDZLAQPJSA-N 2 0 226.364 1.484 20 0 BDADRP CC(C)(C)[NH2+]CCNC[C@@H]1CCCC[NH2+]1 ZINC000666770493 487876705 /nfs/dbraw/zinc/87/67/05/487876705.db2.gz DGVQYRPFSUWSOT-NSHDSACASA-N 2 0 213.369 1.106 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)NC[C@@H]1CCCC[NH2+]1 ZINC000666770883 487877130 /nfs/dbraw/zinc/87/71/30/487877130.db2.gz XTFMGFXZIYAVNP-AGIUHOORSA-N 2 0 225.380 1.249 20 0 BDADRP CC(C)C[C@H]([NH3+])CNC[C@@H]1CCCC[NH2+]1 ZINC000666770477 487877460 /nfs/dbraw/zinc/87/74/60/487877460.db2.gz CLPLHKDYXIBDJC-RYUDHWBXSA-N 2 0 213.369 1.092 20 0 BDADRP C[N@H+](CCC[NH+]1CCCCC1)C(C)(C)CO ZINC000682028564 487882845 /nfs/dbraw/zinc/88/28/45/487882845.db2.gz VEKYOMQOVCBUKI-UHFFFAOYSA-N 2 0 228.380 1.565 20 0 BDADRP O[C@H](C[NH2+]CCCC1CC1)C[NH+]1CCCC1 ZINC000156973346 487885936 /nfs/dbraw/zinc/88/59/36/487885936.db2.gz MQDOFIRRMIMXMC-CYBMUJFWSA-N 2 0 226.364 1.223 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000666826290 487887149 /nfs/dbraw/zinc/88/71/49/487887149.db2.gz UEQZNVLCUXMYKR-NEPJUHHUSA-N 2 0 234.343 1.737 20 0 BDADRP C[NH2+]C[C@@H]1CCCCN1C[C@@H]1CCC[NH2+]C1 ZINC001331998266 974913933 /nfs/dbraw/zinc/91/39/33/974913933.db2.gz VLRVQOKMMHSKEU-OLZOCXBDSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cnc2ccccn12 ZINC000666941266 487907691 /nfs/dbraw/zinc/90/76/91/487907691.db2.gz XGVUAJMKBUAIBD-NSHDSACASA-N 2 0 232.331 1.551 20 0 BDADRP c1csc(C[NH2+][C@H]2CC23CC[NH2+]CC3)c1 ZINC000666950846 487913023 /nfs/dbraw/zinc/91/30/23/487913023.db2.gz LXCJQDJUKAFHRU-NSHDSACASA-N 2 0 222.357 1.980 20 0 BDADRP C1[C@@H]([NH2+][C@@H]2CCCSC2)C12CC[NH2+]CC2 ZINC000666953507 487915334 /nfs/dbraw/zinc/91/53/34/487915334.db2.gz ADWQRRFONQKXND-GHMZBOCLSA-N 2 0 226.389 1.614 20 0 BDADRP CC[NH+]1CCC([NH2+]Cc2ccc(CO)cc2)CC1 ZINC000227461070 487915486 /nfs/dbraw/zinc/91/54/86/487915486.db2.gz UKWNYAKZMJQMIS-UHFFFAOYSA-N 2 0 248.370 1.753 20 0 BDADRP COC[C@H](C)C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666953712 487915946 /nfs/dbraw/zinc/91/59/46/487915946.db2.gz FURLDCXCTFNTFL-MNOVXSKESA-N 2 0 212.337 1.001 20 0 BDADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cnc3ccccn23)C1 ZINC000666962179 487919912 /nfs/dbraw/zinc/91/99/12/487919912.db2.gz HCGBLOIAJRFCAG-NEPJUHHUSA-N 2 0 244.342 1.551 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H]3COC[C@@H]32)CC[NH2+]1 ZINC000667048435 487933570 /nfs/dbraw/zinc/93/35/70/487933570.db2.gz WLHAJFHYIUSGBN-SYQHCUMBSA-N 2 0 238.375 1.485 20 0 BDADRP Cn1cc2c(n1)CCC[C@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000567638841 323034236 /nfs/dbraw/zinc/03/42/36/323034236.db2.gz LHJBETRPRYNYQT-CYBMUJFWSA-N 2 0 248.374 1.387 20 0 BDADRP C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000567642482 323034454 /nfs/dbraw/zinc/03/44/54/323034454.db2.gz IFGYKDRFNMDHLQ-RDBSUJKOSA-N 2 0 239.407 1.448 20 0 BDADRP CC[NH2+]CCCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000562956238 323034998 /nfs/dbraw/zinc/03/49/98/323034998.db2.gz KRWXDGVYENDZEO-JHJVBQTASA-N 2 0 227.396 1.304 20 0 BDADRP CS[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000570274621 323054597 /nfs/dbraw/zinc/05/45/97/323054597.db2.gz UXQQIRAUNFEBKI-SDDRHHMPSA-N 2 0 228.405 1.812 20 0 BDADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCCC(C)(C)CC1 ZINC000570286800 323055181 /nfs/dbraw/zinc/05/51/81/323055181.db2.gz ZUPMABKKWXHLMF-CYBMUJFWSA-N 2 0 228.380 1.469 20 0 BDADRP CO[C@H]1C[C@H]([NH2+]CC2CC[NH2+]CC2)C12CCC2 ZINC000570507862 323061572 /nfs/dbraw/zinc/06/15/72/323061572.db2.gz HYUQELPMLQEWGN-STQMWFEESA-N 2 0 238.375 1.533 20 0 BDADRP Cc1noc(CCC[NH2+][C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000570528782 323062513 /nfs/dbraw/zinc/06/25/13/323062513.db2.gz DLYMWFVVKFKEBR-QWRGUYRKSA-N 2 0 238.335 1.170 20 0 BDADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)CCCC[NH3+])C1 ZINC000563078411 323087450 /nfs/dbraw/zinc/08/74/50/323087450.db2.gz YYMGKSDUXWHQHX-RYUDHWBXSA-N 2 0 241.379 1.104 20 0 BDADRP CCOCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000221675904 323090979 /nfs/dbraw/zinc/09/09/79/323090979.db2.gz VWVQUVDJXWYFRJ-NWDGAFQWSA-N 2 0 214.353 1.485 20 0 BDADRP COC(=O)c1cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c[nH]1 ZINC000563135319 323094609 /nfs/dbraw/zinc/09/46/09/323094609.db2.gz JTYQAUFGNSLPIR-IUCAKERBSA-N 2 0 239.319 1.017 20 0 BDADRP CCCn1cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cn1 ZINC000563135567 323094676 /nfs/dbraw/zinc/09/46/76/323094676.db2.gz QLBDIFUJBNOYDF-WDEREUQCSA-N 2 0 224.352 1.509 20 0 BDADRP CC[C@@H](NCc1ccc(C[NH3+])cc1)[C@@H]1CCC[NH2+]1 ZINC000563154147 323095693 /nfs/dbraw/zinc/09/56/93/323095693.db2.gz OXKPGVUSDWCNIV-CABCVRRESA-N 2 0 247.386 1.766 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@H](F)C1 ZINC000563154563 323095730 /nfs/dbraw/zinc/09/57/30/323095730.db2.gz PVCPGDMPJTYWSQ-BJDJZHNGSA-N 2 0 214.328 1.984 20 0 BDADRP C[N@H+](CC[C@H]1CC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000563152488 323095830 /nfs/dbraw/zinc/09/58/30/323095830.db2.gz KCEYVXYXLMFCFZ-HABKJSAYSA-N 2 0 237.391 1.201 20 0 BDADRP CC(=O)NCCC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000394764598 323108151 /nfs/dbraw/zinc/10/81/51/323108151.db2.gz PFWGAZVJQPKTNL-KBPBESRZSA-N 2 0 247.342 1.247 20 0 BDADRP C[C@H]1CCCC[C@@H]1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000394832473 323127043 /nfs/dbraw/zinc/12/70/43/323127043.db2.gz OWMHBMYXQLSWLO-RFQIPJPRSA-N 2 0 222.376 1.964 20 0 BDADRP CC[C@H]([NH2+]CCC[NH+](C)C)C1CCOCC1 ZINC000310038525 323127524 /nfs/dbraw/zinc/12/75/24/323127524.db2.gz WESALENNCLJPNI-ZDUSSCGKSA-N 2 0 228.380 1.733 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1NCC[C@H]1CCC[NH2+]1 ZINC000571157214 323136911 /nfs/dbraw/zinc/13/69/11/323136911.db2.gz RZUMCJRALUQBNR-YNEHKIRRSA-N 2 0 225.380 1.236 20 0 BDADRP CC[N@@H+]1CC[C@H](NCCC[NH2+]C(C)C)[C@H](C)C1 ZINC000571431252 323144760 /nfs/dbraw/zinc/14/47/60/323144760.db2.gz NEVUDSIWIMZHNX-KGLIPLIRSA-N 2 0 241.423 1.694 20 0 BDADRP C[NH2+]C[C@H](C)CNC1CC[NH+](CC2CC2)CC1 ZINC000571532179 323147272 /nfs/dbraw/zinc/14/72/72/323147272.db2.gz WDUILWMNUVJIQN-LBPRGKRZSA-N 2 0 239.407 1.306 20 0 BDADRP C[NH2+]CCCNC1CC[NH+](CC2CC2)CC1 ZINC000571622935 323149665 /nfs/dbraw/zinc/14/96/65/323149665.db2.gz GEQWHVGLMYZZEK-UHFFFAOYSA-N 2 0 225.380 1.060 20 0 BDADRP CCOC[C@H](C)[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414960287 323152328 /nfs/dbraw/zinc/15/23/28/323152328.db2.gz YBZNRRDXUDVMHN-GARJFASQSA-N 2 0 200.326 1.142 20 0 BDADRP CC[C@@H](O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000304331522 323164032 /nfs/dbraw/zinc/16/40/32/323164032.db2.gz VGESERPXXUIVPQ-VXGBXAGGSA-N 2 0 214.353 1.031 20 0 BDADRP CC(C)[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000305150711 323167859 /nfs/dbraw/zinc/16/78/59/323167859.db2.gz TXPSNDRNHHAGIQ-ZIAGYGMSSA-N 2 0 240.391 1.467 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+]C[C@@H]2CCCOC2)cc1 ZINC000563718175 323175443 /nfs/dbraw/zinc/17/54/43/323175443.db2.gz WOOHBKUKXLBYSX-AWEZNQCLSA-N 2 0 234.343 1.662 20 0 BDADRP C[NH+](C)CC1CC[NH+](Cc2ncccc2O)CC1 ZINC000563777913 323177419 /nfs/dbraw/zinc/17/74/19/323177419.db2.gz NCENUGLUSHQDFP-UHFFFAOYSA-N 2 0 249.358 1.561 20 0 BDADRP CC[C@H]([NH2+]CCN1CC[C@H](C)C1)[C@H]1CCOC1 ZINC000532530477 323273331 /nfs/dbraw/zinc/27/33/31/323273331.db2.gz OBFXGOAAUQFETQ-IHRRRGAJSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1CC[N@H+](CCN[C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000532531147 323274133 /nfs/dbraw/zinc/27/41/33/323274133.db2.gz SBQRJQNMRXEMOI-MCIONIFRSA-N 2 0 239.407 1.258 20 0 BDADRP CC(C)[C@H]1CCCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000396005616 323281734 /nfs/dbraw/zinc/28/17/34/323281734.db2.gz ZDOQZXCPMPKRSF-CQSZACIVSA-N 2 0 239.407 1.402 20 0 BDADRP CC[NH+]1CCC(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000221797798 323285066 /nfs/dbraw/zinc/28/50/66/323285066.db2.gz DOMINLNBDMUOLY-GXTWGEPZSA-N 2 0 239.407 1.543 20 0 BDADRP C[C@H](C(=O)Nc1ccc2c(c1)C[NH2+]C2)C1C[NH2+]C1 ZINC000572362661 323610313 /nfs/dbraw/zinc/61/03/13/323610313.db2.gz YEEKMEHFICOUTB-VIFPVBQESA-N 2 0 245.326 1.084 20 0 BDADRP C[NH+]1CCC(CC[NH2+][C@H]2COC(C)(C)C2)CC1 ZINC000396829858 323658123 /nfs/dbraw/zinc/65/81/23/323658123.db2.gz DOIKLJZTWUOSTA-CYBMUJFWSA-N 2 0 240.391 1.875 20 0 BDADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)CC ZINC000122792887 324058449 /nfs/dbraw/zinc/05/84/49/324058449.db2.gz UIQYAVRKGYHJSF-RYUDHWBXSA-N 2 0 216.369 1.731 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCOC(C)(C)C ZINC000162869843 324129124 /nfs/dbraw/zinc/12/91/24/324129124.db2.gz OCLBGBGSVQXNRM-RYUDHWBXSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@H](N[C@H]1CC[NH2+]C12CCC2)[C@@H]1CCCC[NH2+]1 ZINC000530215797 324530924 /nfs/dbraw/zinc/53/09/24/324530924.db2.gz JDJGARITWZBXJK-AVGNSLFASA-N 2 0 237.391 1.391 20 0 BDADRP CCC(CC)C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000125905752 324663855 /nfs/dbraw/zinc/66/38/55/324663855.db2.gz YZQLBJDJMAHDQF-LBPRGKRZSA-N 2 0 216.369 1.325 20 0 BDADRP CCN(C)C[C@@H](O)C[NH+]1C2CCCC1CCC2 ZINC000653559548 487965991 /nfs/dbraw/zinc/96/59/91/487965991.db2.gz HKUWSCHPQLBJGD-JXQTWKCFSA-N 2 0 240.391 1.706 20 0 BDADRP CCN(C)C[C@H](O)C[NH+]1C2CCCC1CCC2 ZINC000653559549 487966353 /nfs/dbraw/zinc/96/63/53/487966353.db2.gz HKUWSCHPQLBJGD-RUXDESIVSA-N 2 0 240.391 1.706 20 0 BDADRP CCOCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000130256182 325031222 /nfs/dbraw/zinc/03/12/22/325031222.db2.gz DDNDQPWXNGZRSK-GHMZBOCLSA-N 2 0 200.326 1.095 20 0 BDADRP C[C@@]1(C(=O)Nc2ccc(C[NH3+])cc2)CCC[NH2+]1 ZINC000131097804 325115336 /nfs/dbraw/zinc/11/53/36/325115336.db2.gz WUEPWBWYYPAOAC-ZDUSSCGKSA-N 2 0 233.315 1.226 20 0 BDADRP COC[C@@H](C)C[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000131886718 325189846 /nfs/dbraw/zinc/18/98/46/325189846.db2.gz LUWNSGKCRMTOQI-KBPBESRZSA-N 2 0 242.407 1.981 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCOC1 ZINC000133403672 325293040 /nfs/dbraw/zinc/29/30/40/325293040.db2.gz USUKVTKOCDWPBC-RWMBFGLXSA-N 2 0 226.364 1.343 20 0 BDADRP FC1(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000566229861 326018290 /nfs/dbraw/zinc/01/82/90/326018290.db2.gz PSTFNOIJHVZVNW-NEPJUHHUSA-N 2 0 226.339 1.810 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000566229885 326019116 /nfs/dbraw/zinc/01/91/16/326019116.db2.gz RFWCVJPKNKYZSB-VHSXEESVSA-N 2 0 232.331 1.778 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)C1 ZINC000566482013 326055883 /nfs/dbraw/zinc/05/58/83/326055883.db2.gz LPVQAELYOBLCAK-RNJOBUHISA-N 2 0 208.349 1.892 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000566483297 326056351 /nfs/dbraw/zinc/05/63/51/326056351.db2.gz UGURLOVPAYJQMJ-BFHYXJOUSA-N 2 0 241.423 1.966 20 0 BDADRP Cc1nccnc1CC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000567640553 326236723 /nfs/dbraw/zinc/23/67/23/326236723.db2.gz ZCDWKACHPHLRGQ-GXTWGEPZSA-N 2 0 248.374 1.577 20 0 BDADRP [NH3+][C@@H]1CCCc2cn(CC[C@@H]3CC[NH2+]C3)nc21 ZINC000567673764 326242536 /nfs/dbraw/zinc/24/25/36/326242536.db2.gz GTXMZBORJWTSNR-CMPLNLGQSA-N 2 0 234.347 1.219 20 0 BDADRP Cc1cnc(CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000568248441 326334249 /nfs/dbraw/zinc/33/42/49/326334249.db2.gz QQJKUNQMSSJJMN-NEPJUHHUSA-N 2 0 234.347 1.187 20 0 BDADRP COC[C@H](C)[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000158689092 326337159 /nfs/dbraw/zinc/33/71/59/326337159.db2.gz PBUDYIKSXBVXIW-MJBXVCDLSA-N 2 0 242.407 1.979 20 0 BDADRP CC[C@@H]1CCC[C@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000568617227 326367956 /nfs/dbraw/zinc/36/79/56/326367956.db2.gz XCHPPNIZHOWXNA-ZIAGYGMSSA-N 2 0 239.407 1.450 20 0 BDADRP CC[NH2+]CCCN[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000569106189 326390503 /nfs/dbraw/zinc/39/05/03/326390503.db2.gz UBGHLSGHZNTPOS-AAEUAGOBSA-N 2 0 225.380 1.058 20 0 BDADRP COCCC[NH+]1CCC([NH2+][C@@H](C)COC)CC1 ZINC000159229022 326390861 /nfs/dbraw/zinc/39/08/61/326390861.db2.gz IKTGZHVVKLETHH-LBPRGKRZSA-N 2 0 244.379 1.112 20 0 BDADRP Cc1ccc(CC[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)cn1 ZINC000569228144 326396287 /nfs/dbraw/zinc/39/62/87/326396287.db2.gz IGGLIGICCVQAIJ-WFASDCNBSA-N 2 0 247.386 1.910 20 0 BDADRP COC[C@@H](C)C[NH+]1CCC(CC[NH3+])CC1 ZINC000163542618 326403340 /nfs/dbraw/zinc/40/33/40/326403340.db2.gz QDKPOHMKQGAYSY-NSHDSACASA-N 2 0 214.353 1.330 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCC[NH2+]C1 ZINC000572822561 326412759 /nfs/dbraw/zinc/41/27/59/326412759.db2.gz PNJDECXCJJYOHG-REWJHTLYSA-N 3 0 239.407 1.482 20 0 BDADRP CC1(F)CC([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000572855787 326415228 /nfs/dbraw/zinc/41/52/28/326415228.db2.gz MIJUYPQHFHOVFS-IZUQBHJASA-N 2 0 200.301 1.737 20 0 BDADRP OCC[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000220371180 487980308 /nfs/dbraw/zinc/98/03/08/487980308.db2.gz MNAZKHIBMDCHRI-GFCCVEGCSA-N 2 0 226.364 1.080 20 0 BDADRP CC[C@H](C)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000682074993 487990408 /nfs/dbraw/zinc/99/04/08/487990408.db2.gz ZLDAVZOBNKKBPF-UONOGXRCSA-N 2 0 239.407 1.497 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC3CCC3)C[C@H]21 ZINC000228477325 488009525 /nfs/dbraw/zinc/00/95/25/488009525.db2.gz OPEVDMBEINCADF-YNEHKIRRSA-N 2 0 208.349 1.846 20 0 BDADRP Cc1nn(C)cc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655827675 488011038 /nfs/dbraw/zinc/01/10/38/488011038.db2.gz XUFHNNDDCNLEDX-BJHJDKERSA-N 2 0 236.363 1.158 20 0 BDADRP C[NH+](C)[C@H](CNCCC[NH3+])c1ccccc1 ZINC000135260636 488024566 /nfs/dbraw/zinc/02/45/66/488024566.db2.gz FDEJWJRMFXJZSN-CYBMUJFWSA-N 2 0 221.348 1.228 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CS1 ZINC000401065071 488025125 /nfs/dbraw/zinc/02/51/25/488025125.db2.gz YUQRNVBCJFSTSL-LBELIVKGSA-N 2 0 240.416 1.858 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401067081 488025435 /nfs/dbraw/zinc/02/54/35/488025435.db2.gz ZKEIVBKDGARMJV-SYQHCUMBSA-N 2 0 240.391 1.515 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CS1 ZINC000401065075 488025307 /nfs/dbraw/zinc/02/53/07/488025307.db2.gz YUQRNVBCJFSTSL-SJHCENCUSA-N 2 0 240.416 1.858 20 0 BDADRP CC(C)(C)OCCCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000682755529 488029809 /nfs/dbraw/zinc/02/98/09/488029809.db2.gz RVYIZYAWTASHEF-STQMWFEESA-N 2 0 240.391 1.733 20 0 BDADRP COCCCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000135416047 488034511 /nfs/dbraw/zinc/03/45/11/488034511.db2.gz XCGTXMZQEZCTMS-KBPBESRZSA-N 2 0 240.391 1.877 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCCOC)[C@@H](C)C1 ZINC000222026238 488047879 /nfs/dbraw/zinc/04/78/79/488047879.db2.gz DPRWJBNIKFFRSV-QWHCGFSZSA-N 2 0 228.380 1.733 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](CO)Cc2ccccc2)C1 ZINC000236310875 488056635 /nfs/dbraw/zinc/05/66/35/488056635.db2.gz FSDRREZNGRPVKW-ILXRZTDVSA-N 2 0 248.370 1.450 20 0 BDADRP C[NH2+]C[C@H](C)N[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000663515008 488058488 /nfs/dbraw/zinc/05/84/88/488058488.db2.gz XWSKJSJIRFJLJP-NWANDNLSSA-N 2 0 247.386 1.677 20 0 BDADRP OC1CCC([NH2+]C[C@H]2CCCCN2)CC1 ZINC000236467756 488062380 /nfs/dbraw/zinc/06/23/80/488062380.db2.gz YYEOKJHQTHRYIS-MOENNCHZSA-N 2 0 212.337 1.022 20 0 BDADRP C[C@H](COCC1CC1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000656200637 488066571 /nfs/dbraw/zinc/06/65/71/488066571.db2.gz SREYKBRNBRJMGJ-WXHSDQCUSA-N 2 0 226.364 1.661 20 0 BDADRP CC1(O)CC[NH+](Cc2cnc3n2CCC3)CC1 ZINC000667644216 488068368 /nfs/dbraw/zinc/06/83/68/488068368.db2.gz ASBBXQVDCHCBNU-UHFFFAOYSA-N 2 0 235.331 1.176 20 0 BDADRP C[C@H](CC[NH3+])[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000136136932 488083216 /nfs/dbraw/zinc/08/32/16/488083216.db2.gz IZFXBBNIOQLDSR-NEPJUHHUSA-N 2 0 234.343 1.880 20 0 BDADRP Cc1cc(CN2CC[C@]3(CC[NH2+]C3)C2)nc(C)n1 ZINC000257709059 488085440 /nfs/dbraw/zinc/08/54/40/488085440.db2.gz SICURRHLXFKSMJ-AWEZNQCLSA-N 2 0 246.358 1.279 20 0 BDADRP CC(C)OC(=O)CC[C@H](C)[NH2+]C[C@H](C)C[NH3+] ZINC001172746647 974923731 /nfs/dbraw/zinc/92/37/31/974923731.db2.gz RBIQEBZNDLZHRI-MNOVXSKESA-N 2 0 230.352 1.291 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000230417294 488100281 /nfs/dbraw/zinc/10/02/81/488100281.db2.gz FITCLJZJZXGDMD-HZSPNIEDSA-N 2 0 240.391 1.469 20 0 BDADRP CC[NH+]1CCC(C[NH2+]CC(C)(C)COC)CC1 ZINC000683145206 488119586 /nfs/dbraw/zinc/11/95/86/488119586.db2.gz UQNBAPYWPLOLLW-UHFFFAOYSA-N 2 0 242.407 1.981 20 0 BDADRP C[C@@H](C[NH2+]CC1(O)CC[NH+](C)CC1)C(C)(C)C ZINC000397552980 488122651 /nfs/dbraw/zinc/12/26/51/488122651.db2.gz IKEQJGAADDREHH-LBPRGKRZSA-N 2 0 242.407 1.715 20 0 BDADRP Cc1cc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)[nH]n1 ZINC000675893341 488132495 /nfs/dbraw/zinc/13/24/95/488132495.db2.gz KEQVSTILKKUEID-LLVKDONJSA-N 2 0 236.363 1.538 20 0 BDADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](C)CO)C1 ZINC000121127135 490077083 /nfs/dbraw/zinc/07/70/83/490077083.db2.gz VRRWUIXXWRQVJO-OLZOCXBDSA-N 2 0 228.380 1.279 20 0 BDADRP CCc1nn(C)cc1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000168876217 487549177 /nfs/dbraw/zinc/54/91/77/487549177.db2.gz LZTDHYPPNCAICU-QWRGUYRKSA-N 2 0 236.363 1.152 20 0 BDADRP C[N@H+](CC[C@H]1CCCC[NH+]1C)[C@H]1CCCOC1 ZINC000674301350 487552727 /nfs/dbraw/zinc/55/27/27/487552727.db2.gz ATRFVRKKGGZQGT-KGLIPLIRSA-N 2 0 240.391 1.972 20 0 BDADRP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H]2CCCOC2)C1 ZINC000674302276 487554156 /nfs/dbraw/zinc/55/41/56/487554156.db2.gz KZNXBUTVAFWUQW-KGLIPLIRSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@@H]1C[C@H]1C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668785261 487531598 /nfs/dbraw/zinc/53/15/98/487531598.db2.gz OZEINANGRPAZCA-HZSPNIEDSA-N 2 0 240.391 1.685 20 0 BDADRP OCC1([NH2+]CC2CC[NH2+]CC2)CCCCC1 ZINC000086701063 487532880 /nfs/dbraw/zinc/53/28/80/487532880.db2.gz XQQMAIBZQSHWNW-UHFFFAOYSA-N 2 0 226.364 1.271 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000161076602 487476048 /nfs/dbraw/zinc/47/60/48/487476048.db2.gz GMINUGIBYOCZTR-AAEUAGOBSA-N 2 0 241.379 1.104 20 0 BDADRP CC(C)(CC[N@@H+]1CCCO[C@@H](C[NH3+])C1)C1CC1 ZINC000406005491 487495577 /nfs/dbraw/zinc/49/55/77/487495577.db2.gz RRZJJQSCVVQGKY-ZDUSSCGKSA-N 2 0 240.391 1.862 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](C)C(C)(C)C ZINC000381054895 487497430 /nfs/dbraw/zinc/49/74/30/487497430.db2.gz IZPJHDCDAMUMHC-VXGBXAGGSA-N 2 0 230.396 1.712 20 0 BDADRP C[C@H]([NH3+])[C@H]1CN(CCC(C)(C)C2CC2)CCO1 ZINC000406078701 487500352 /nfs/dbraw/zinc/50/03/52/487500352.db2.gz WCEZRFIQTKBOFE-WCQYABFASA-N 2 0 240.391 1.861 20 0 BDADRP C[C@@H]1CC[N@H+](CCOCC[NH3+])[C@H](C)C1 ZINC000086435662 487507107 /nfs/dbraw/zinc/50/71/07/487507107.db2.gz ACQOJWCKLZFYNT-GHMZBOCLSA-N 2 0 200.326 1.082 20 0 BDADRP CC[C@@H]1CN(CCO[C@H]2CC2(F)F)CC[C@@H]1[NH3+] ZINC000662273651 487521843 /nfs/dbraw/zinc/52/18/43/487521843.db2.gz XHSDJOFSGRZNER-VWYCJHECSA-N 2 0 248.317 1.470 20 0 BDADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]([NH3+])CC(C)C ZINC000167193832 488144196 /nfs/dbraw/zinc/14/41/96/488144196.db2.gz YKIDYQWIDLQTBN-NWDGAFQWSA-N 2 0 243.395 1.206 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1C ZINC000379894180 488154881 /nfs/dbraw/zinc/15/48/81/488154881.db2.gz BLHCZAIPLLPPFD-NEPJUHHUSA-N 2 0 214.353 1.172 20 0 BDADRP CC[C@H](C)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000682074891 487897957 /nfs/dbraw/zinc/89/79/57/487897957.db2.gz ZLDAVZOBNKKBPF-KBPBESRZSA-N 2 0 239.407 1.497 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cnc2ccccn12 ZINC000666938007 487908647 /nfs/dbraw/zinc/90/86/47/487908647.db2.gz OARGRPBZWDXJRE-LBPRGKRZSA-N 2 0 246.358 1.941 20 0 BDADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCOCC(F)F)C2 ZINC000652352322 487930128 /nfs/dbraw/zinc/93/01/28/487930128.db2.gz CNUUURQRFVJOFH-JQWIXIFHSA-N 2 0 248.317 1.329 20 0 BDADRP c1ccc2c(c1)CC[C@@H]([NH2+]CC13CC(C1)C[NH2+]3)C2 ZINC000663499554 488047743 /nfs/dbraw/zinc/04/77/43/488047743.db2.gz YHFUTWAZWSXPKK-DSSZZKGTSA-N 2 0 242.366 1.886 20 0 BDADRP CC(C)C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000657573641 488137121 /nfs/dbraw/zinc/13/71/21/488137121.db2.gz NFMAHXZFENMVTL-ZDUSSCGKSA-N 2 0 229.412 1.504 20 0 BDADRP Cc1c([C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)cnn1C ZINC000093214413 488139505 /nfs/dbraw/zinc/13/95/05/488139505.db2.gz GGEATQIWEYXZSY-DLOVCJGASA-N 2 0 236.363 1.649 20 0 BDADRP COC1([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)CCC1 ZINC000657877415 488158819 /nfs/dbraw/zinc/15/88/19/488158819.db2.gz RANGWUUOWNDDBW-CHWSQXEVSA-N 2 0 240.391 1.875 20 0 BDADRP COC[C@@H]1CCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000678079368 488191947 /nfs/dbraw/zinc/19/19/47/488191947.db2.gz VUFSYBMGWXZILN-OLZOCXBDSA-N 2 0 226.364 1.582 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2COC(C)(C)C2)[C@H](C)C1 ZINC000669544120 488196898 /nfs/dbraw/zinc/19/68/98/488196898.db2.gz SSYHBVBOVDAHDY-AGIUHOORSA-N 2 0 240.391 1.874 20 0 BDADRP CC[C@H]1CCC[N@H+](C[C@@H]2CNCCO2)C1 ZINC000043802296 488208451 /nfs/dbraw/zinc/20/84/51/488208451.db2.gz HPDOSKMQXHXCFL-RYUDHWBXSA-N 2 0 212.337 1.097 20 0 BDADRP CN(Cc1cccs1)C[C@@H]1C[NH2+]CCO1 ZINC000043802216 488208943 /nfs/dbraw/zinc/20/89/43/488208943.db2.gz RVWBGMIGUGVPJM-JTQLQIEISA-N 2 0 226.345 1.168 20 0 BDADRP c1cc2c(cccc2C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)[nH]1 ZINC000678342884 488243521 /nfs/dbraw/zinc/24/35/21/488243521.db2.gz FCCWVLMEDZOPSR-BETUJISGSA-N 2 0 241.338 1.819 20 0 BDADRP c1cc2c(cccc2C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)[nH]1 ZINC000678342885 488243555 /nfs/dbraw/zinc/24/35/55/488243555.db2.gz FCCWVLMEDZOPSR-CHWSQXEVSA-N 2 0 241.338 1.819 20 0 BDADRP OC[C@H](CC1CC1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000678604995 488270846 /nfs/dbraw/zinc/27/08/46/488270846.db2.gz BIQNWGTWGALADC-RDBSUJKOSA-N 2 0 238.375 1.364 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H](CO)CC2CC2)CN1C1CC1 ZINC000678608378 488271870 /nfs/dbraw/zinc/27/18/70/488271870.db2.gz WHZBEZTVYXNHEU-WXHSDQCUSA-N 2 0 238.375 1.362 20 0 BDADRP C1=CC[NH+](CCOCC[N@H+]2CC=CCC2)CC1 ZINC000679323719 488337387 /nfs/dbraw/zinc/33/73/87/488337387.db2.gz UZOWPTFCJLUCIF-UHFFFAOYSA-N 2 0 236.359 1.527 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1nccn1C ZINC000665282943 490096306 /nfs/dbraw/zinc/09/63/06/490096306.db2.gz FATXOVLDWNCYOY-ZDEQEGDKSA-N 2 0 248.374 1.459 20 0 BDADRP CC1CC[NH+](CCC[NH2+][C@H]2CCCOC2)CC1 ZINC000070463870 490215697 /nfs/dbraw/zinc/21/56/97/490215697.db2.gz RVOUVIBHQRGAPY-AWEZNQCLSA-N 2 0 240.391 1.877 20 0 BDADRP Cc1cc(C)cc(OCC[N@H+](C)CCC[NH3+])c1 ZINC000123325258 490219475 /nfs/dbraw/zinc/21/94/75/490219475.db2.gz GYPOONRZELJSIV-UHFFFAOYSA-N 2 0 236.359 1.963 20 0 BDADRP CC(C)[C@@H](CCO)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000123755127 490258507 /nfs/dbraw/zinc/25/85/07/490258507.db2.gz MNWNHVGTKYSMCY-TZMCWYRMSA-N 2 0 242.407 1.713 20 0 BDADRP CCCN1CC[C@H]([NH2+][C@@H](C)COCC)C1 ZINC000328508119 490297641 /nfs/dbraw/zinc/29/76/41/490297641.db2.gz MEYWIRRQXJTBGV-RYUDHWBXSA-N 2 0 214.353 1.485 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@](C)(CC)CO)CC1 ZINC000130333857 490375554 /nfs/dbraw/zinc/37/55/54/490375554.db2.gz WEOMVNPFSRTSBM-CYBMUJFWSA-N 2 0 228.380 1.611 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@@H](O)[C@H](C)CC)CC1 ZINC000305107787 490434658 /nfs/dbraw/zinc/43/46/58/490434658.db2.gz DOJPZVYUADANIU-TZMCWYRMSA-N 2 0 242.407 1.857 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CC2(CO)CCCCC2)C1 ZINC000125476659 490435869 /nfs/dbraw/zinc/43/58/69/490435869.db2.gz APCWHHAHDHABCF-QWHCGFSZSA-N 2 0 240.391 1.789 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)CO)[C@H](C)C1 ZINC000131072116 490484893 /nfs/dbraw/zinc/48/48/93/490484893.db2.gz IWTSZTYEOWJOQJ-NEPJUHHUSA-N 2 0 228.380 1.325 20 0 BDADRP CC[C@H](O)CC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000128323269 490576616 /nfs/dbraw/zinc/57/66/16/490576616.db2.gz RKTMFPXLSAKWFS-YPMHNXCESA-N 2 0 228.380 1.467 20 0 BDADRP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000387967038 491058590 /nfs/dbraw/zinc/05/85/90/491058590.db2.gz FEGQKIBHYAJQLM-QNWHQSFQSA-N 2 0 210.365 1.962 20 0 BDADRP [NH3+]Cc1ccc(C(=O)NCCC2(C[NH3+])CC2)cc1 ZINC000653215941 491128252 /nfs/dbraw/zinc/12/82/52/491128252.db2.gz KJCOFQPQUAXKSF-UHFFFAOYSA-N 2 0 247.342 1.004 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]C[C@@H]2CCCO2)c2ccccc21 ZINC000131916689 491133888 /nfs/dbraw/zinc/13/38/88/491133888.db2.gz NJNJLDKYGPFIOA-LEWSCRJBSA-N 2 0 232.327 1.900 20 0 BDADRP CC(C)OC1CC([NH2+][C@H]2CCCN(C)C2)C1 ZINC000309586692 491150811 /nfs/dbraw/zinc/15/08/11/491150811.db2.gz RZNAQZWZIGDVBR-HIFPTAJRSA-N 2 0 226.364 1.626 20 0 BDADRP CO[C@@H](C)[C@H](C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000309662928 491154108 /nfs/dbraw/zinc/15/41/08/491154108.db2.gz RZLPJVYCFNNJJS-TUAOUCFPSA-N 2 0 228.380 1.730 20 0 BDADRP C[C@H]([NH2+]CC(C)(C)C(C)(C)O)[C@@H]1CCC[NH2+]1 ZINC000400407136 533828217 /nfs/dbraw/zinc/82/82/17/533828217.db2.gz SBMJZLDVTFKQIA-QWRGUYRKSA-N 2 0 228.380 1.514 20 0 BDADRP C[C@H]([NH2+]CC1(CO)CCCC1)[C@H]1CCC[NH2+]1 ZINC000400742964 533832689 /nfs/dbraw/zinc/83/26/89/533832689.db2.gz UANMWXHNQWZZGA-NWDGAFQWSA-N 2 0 226.364 1.269 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CCCCO1)[C@H]1CCC[NH2+]1 ZINC000400756853 533864803 /nfs/dbraw/zinc/86/48/03/533864803.db2.gz XEBWRSVQIDWFDX-RWMBFGLXSA-N 2 0 226.364 1.676 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCC[NH2+]1 ZINC000400437128 533885951 /nfs/dbraw/zinc/88/59/51/533885951.db2.gz LOEZCUDIMHPADK-UMSGYPCISA-N 2 0 226.364 1.268 20 0 BDADRP CC[NH+](CC)CCN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000084215520 535540974 /nfs/dbraw/zinc/54/09/74/535540974.db2.gz QFGCKNUITIHDHQ-CHWSQXEVSA-N 2 0 227.396 1.435 20 0 BDADRP C[C@H](CCO)CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400448325 533964902 /nfs/dbraw/zinc/96/49/02/533964902.db2.gz QDZDQDRXDVKLHR-SDDRHHMPSA-N 2 0 214.353 1.125 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@@H]2CCOC2)C[C@@H]1C[NH3+] ZINC000400597665 534033435 /nfs/dbraw/zinc/03/34/35/534033435.db2.gz DBCDWXPLOVPMTO-UPJWGTAASA-N 2 0 226.364 1.330 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@H]2CCOC2)C[C@@H]1C[NH3+] ZINC000400597659 534035175 /nfs/dbraw/zinc/03/51/75/534035175.db2.gz DBCDWXPLOVPMTO-AGIUHOORSA-N 2 0 226.364 1.330 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252715844 536091074 /nfs/dbraw/zinc/09/10/74/536091074.db2.gz WVMXBZHBRBYCNX-JHJVBQTASA-N 2 0 228.380 1.325 20 0 BDADRP CCCCNC(=[NH2+])NC[C@@H](C)[NH+]1CCCC1 ZINC000848986523 582817186 /nfs/dbraw/zinc/81/71/86/582817186.db2.gz AZEDTQNIWSPWSL-LLVKDONJSA-N 2 0 226.368 1.385 20 0 BDADRP CN(C)C(=[NH2+])NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000849023069 582829914 /nfs/dbraw/zinc/82/99/14/582829914.db2.gz IYXYQEGHUYQTMK-NSHDSACASA-N 2 0 224.352 1.089 20 0 BDADRP CC(C)(C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000226069855 534651242 /nfs/dbraw/zinc/65/12/42/534651242.db2.gz RQUBEKBRZFNOQO-GRYCIOLGSA-N 2 0 228.380 1.501 20 0 BDADRP C1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000401114616 526422990 /nfs/dbraw/zinc/42/29/90/526422990.db2.gz LRZMXVPTZTYZCO-GMXVVIOVSA-N 2 0 208.349 1.907 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[NH2+]2)C1(C)C ZINC000300629837 527939256 /nfs/dbraw/zinc/93/92/56/527939256.db2.gz MCUDFVZLIAMCTA-FRRDWIJNSA-N 2 0 240.391 1.922 20 0 BDADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000495043876 528037690 /nfs/dbraw/zinc/03/76/90/528037690.db2.gz BSGDYESRCHNXQV-IGQOVBAYSA-N 2 0 242.407 1.977 20 0 BDADRP CC(C)N(C)C[C@H](C)[NH2+][C@H](C)CCC[NH3+] ZINC000309026220 528832079 /nfs/dbraw/zinc/83/20/79/528832079.db2.gz YCASTPRJOGUEPJ-NEPJUHHUSA-N 2 0 215.385 1.432 20 0 BDADRP CC(C)[C@H](C(=O)N[C@H](C)CCCC[NH3+])[NH+](C)C ZINC000494659997 528925241 /nfs/dbraw/zinc/92/52/41/528925241.db2.gz DBUQEAMRLSJIIC-VXGBXAGGSA-N 2 0 243.395 1.206 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494526180 528925472 /nfs/dbraw/zinc/92/54/72/528925472.db2.gz ABKDARDOQFJJDD-NSHDSACASA-N 2 0 241.379 1.152 20 0 BDADRP CCC(O)(CC)CC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000471782155 528965488 /nfs/dbraw/zinc/96/54/88/528965488.db2.gz RHZHTGSMXWIDCQ-STQMWFEESA-N 2 0 242.407 1.857 20 0 BDADRP CC(C)[NH+]1CCC(N[C@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000400746034 529001034 /nfs/dbraw/zinc/00/10/34/529001034.db2.gz UMMJTXWOOXXQQH-OCCSQVGLSA-N 2 0 239.407 1.589 20 0 BDADRP CC(C)[NH+]1CCC(N[C@@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000400746032 529001906 /nfs/dbraw/zinc/00/19/06/529001906.db2.gz UMMJTXWOOXXQQH-JSGCOSHPSA-N 2 0 239.407 1.589 20 0 BDADRP CCSCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000308895186 529179996 /nfs/dbraw/zinc/17/99/96/529179996.db2.gz ZNKHDAWLELOVCC-TXEJJXNPSA-N 2 0 228.405 1.671 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400359301 529327947 /nfs/dbraw/zinc/32/79/47/529327947.db2.gz CLICCKGNOVGJJG-UTUOFQBUSA-N 2 0 214.353 1.125 20 0 BDADRP CC(C)CN(CC[NH+](C)C)C(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000156663137 535050143 /nfs/dbraw/zinc/05/01/43/535050143.db2.gz QGRXGHKHYFEEMV-NWDGAFQWSA-N 2 0 243.395 1.016 20 0 BDADRP CC1(C)[C@H]([NH2+]CCCC[NH3+])[C@H]2CCCO[C@H]21 ZINC000227082371 535069259 /nfs/dbraw/zinc/06/92/59/535069259.db2.gz FOSBEMLBXGSTLW-IJLUTSLNSA-N 2 0 226.364 1.519 20 0 BDADRP CC(C)[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000251317834 535150042 /nfs/dbraw/zinc/15/00/42/535150042.db2.gz LNSQVRFMNHHJOJ-HZSPNIEDSA-N 2 0 240.391 1.419 20 0 BDADRP CC(C)([NH3+])CNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000335700179 535207292 /nfs/dbraw/zinc/20/72/92/535207292.db2.gz KTKOQPHYBOKQJD-MNOVXSKESA-N 2 0 241.379 1.138 20 0 BDADRP CC[NH+](CC)CC1CCN(CC(C)(C)[NH3+])CC1 ZINC000261640341 535496403 /nfs/dbraw/zinc/49/64/03/535496403.db2.gz AEEYSXDRWRGKNB-UHFFFAOYSA-N 2 0 241.423 1.778 20 0 BDADRP CCOCCC[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000250574234 535516261 /nfs/dbraw/zinc/51/62/61/535516261.db2.gz WYRRSQJASKEJAZ-NWDGAFQWSA-N 2 0 214.353 1.472 20 0 BDADRP CC[NH+](CC)CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000249794516 535543192 /nfs/dbraw/zinc/54/31/92/535543192.db2.gz ADOQIVYVOHPQBD-KBPBESRZSA-N 2 0 239.407 1.545 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(O)CCC2)[C@H](C)C1 ZINC000167485764 535768594 /nfs/dbraw/zinc/76/85/94/535768594.db2.gz LGAAQKHEHAOQOK-NEPJUHHUSA-N 2 0 226.364 1.221 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250343903 535831440 /nfs/dbraw/zinc/83/14/40/535831440.db2.gz DZQUXGUXGJWKFP-KGLIPLIRSA-N 3 0 239.407 1.545 20 0 BDADRP C[NH+](C)C[C@H]1CC[N@H+](CC2=CCCOC2)C1 ZINC000179637552 535965190 /nfs/dbraw/zinc/96/51/90/535965190.db2.gz OSWYXJXRHIHLDP-GFCCVEGCSA-N 2 0 224.348 1.217 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000087362488 536090410 /nfs/dbraw/zinc/09/04/10/536090410.db2.gz DLHPQCCFQOVHGP-JHJVBQTASA-N 2 0 228.380 1.502 20 0 BDADRP C[NH+]1CCC(N[C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000335029062 536345683 /nfs/dbraw/zinc/34/56/83/536345683.db2.gz LOUVCIXUTKASBM-STQMWFEESA-N 2 0 225.380 1.330 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCC[C@H]1CCO ZINC000348148512 536370521 /nfs/dbraw/zinc/37/05/21/536370521.db2.gz IOGQOOWDSSKADR-MJBXVCDLSA-N 2 0 240.391 1.611 20 0 BDADRP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CC2CC2)C1 ZINC000335703605 536472783 /nfs/dbraw/zinc/47/27/83/536472783.db2.gz YCRZKPHNBSZFKO-QWHCGFSZSA-N 2 0 208.349 1.813 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2c[nH]nc2C)C1 ZINC000245949251 537960407 /nfs/dbraw/zinc/96/04/07/537960407.db2.gz KWZYMDKSFGCKAN-ZYHUDNBSSA-N 2 0 236.363 1.711 20 0 BDADRP Cc1ccc(C[NH2+]CCOCC[NH+](C)C)cn1 ZINC000231675862 566313992 /nfs/dbraw/zinc/31/39/92/566313992.db2.gz PVUWNNBZSHHPHJ-UHFFFAOYSA-N 2 0 237.347 1.058 20 0 BDADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C2CSC2)C1 ZINC000390001022 566381306 /nfs/dbraw/zinc/38/13/06/566381306.db2.gz SVBBJVJHHZIFEZ-LLVKDONJSA-N 2 0 228.405 1.812 20 0 BDADRP CC(C)[N@@H+]1CCCC[C@H]1CON=C(N)CCO ZINC000853687138 588756243 /nfs/dbraw/zinc/75/62/43/588756243.db2.gz LFGOFVMNDOWJDD-NSHDSACASA-N 2 0 243.351 1.130 20 0 BDADRP C([NH2+][C@H]1CC[C@H]1C1CC1)C12CC(C1)C[NH2+]2 ZINC000854228325 588780997 /nfs/dbraw/zinc/78/09/97/588780997.db2.gz VFQGKYVWIDMPJJ-FHQIDYJMSA-N 2 0 206.333 1.517 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCC1SCCS1 ZINC000854230290 588780848 /nfs/dbraw/zinc/78/08/48/588780848.db2.gz LYNIGMLFQCDGSQ-BDAKNGLRSA-N 2 0 234.434 1.898 20 0 BDADRP COC[C@@H]([NH2+]CCCCCC[NH3+])C(C)C ZINC000843342164 582488111 /nfs/dbraw/zinc/48/81/11/582488111.db2.gz NUKJXLHOHIFFPR-GFCCVEGCSA-N 2 0 216.369 1.766 20 0 BDADRP C[C@@H]1CCC[N@H+](CCNc2cc[nH+]cc2CO)C1 ZINC000891838235 582727953 /nfs/dbraw/zinc/72/79/53/582727953.db2.gz PXJYFNJFKPRDOC-GFCCVEGCSA-N 2 0 249.358 1.140 20 0 BDADRP C[C@@H]1COCCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000892077440 582786679 /nfs/dbraw/zinc/78/66/79/582786679.db2.gz SDWLBVGILHRANB-GFCCVEGCSA-N 2 0 226.364 1.439 20 0 BDADRP Cc1cc(NCC(C)(C)C[NH+](C)C)nc(N)[nH+]1 ZINC000106133762 582803034 /nfs/dbraw/zinc/80/30/34/582803034.db2.gz KICYEOXVNBNPAL-UHFFFAOYSA-N 2 0 237.351 1.367 20 0 BDADRP CC(C)(C)[NH2+]CCCNC(=[NH2+])NC1CCC1 ZINC000848994034 582820301 /nfs/dbraw/zinc/82/03/01/582820301.db2.gz JITMAQAUARFTJS-UHFFFAOYSA-N 2 0 226.368 1.431 20 0 BDADRP CC(C)CCNC(=[NH2+])NCC[N@@H+]1CC[C@@H](C)C1 ZINC000849004195 582821890 /nfs/dbraw/zinc/82/18/90/582821890.db2.gz GVDPWINLZOIHHJ-GFCCVEGCSA-N 2 0 240.395 1.488 20 0 BDADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C1CSC1 ZINC000393615757 582824468 /nfs/dbraw/zinc/82/44/68/582824468.db2.gz ZUJRVBHJCSNJHQ-LLVKDONJSA-N 2 0 232.393 1.048 20 0 BDADRP CO[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H]([NH+](C)C)CC2)C1 ZINC000851985996 582989419 /nfs/dbraw/zinc/98/94/19/582989419.db2.gz YHEGXZMGQVULRG-BFHYXJOUSA-N 2 0 240.391 1.970 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@H](Nc2cc[nH+]cc2CO)C1 ZINC000892824729 582989507 /nfs/dbraw/zinc/98/95/07/582989507.db2.gz UEDWGRUMYBICBS-QWHCGFSZSA-N 2 0 249.358 1.281 20 0 BDADRP Cc1ccc(CC[NH2+]CC2CC[NH+](C)CC2)cn1 ZINC000892952183 583017467 /nfs/dbraw/zinc/01/74/67/583017467.db2.gz ZASLHAYEHIKMEO-UHFFFAOYSA-N 2 0 247.386 1.864 20 0 BDADRP CO[C@H]1CCC[C@@H]1C[NH2+]CC1CC[NH+](C)CC1 ZINC000893287243 583087345 /nfs/dbraw/zinc/08/73/45/583087345.db2.gz YIJHPFZMTGSGEY-KGLIPLIRSA-N 2 0 240.391 1.733 20 0 BDADRP Cc1cc(C[NH2+]CC2=CC[N@H+](C)CC2)cnc1F ZINC000893305340 583095248 /nfs/dbraw/zinc/09/52/48/583095248.db2.gz UWZSRZOYRFAWFK-UHFFFAOYSA-N 2 0 249.333 1.881 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@](C)(CO)C2CC2)CC1 ZINC000893367372 583126708 /nfs/dbraw/zinc/12/67/08/583126708.db2.gz KUSKNGGVXKWVGZ-CYBMUJFWSA-N 2 0 226.364 1.079 20 0 BDADRP Cc1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)ccn1 ZINC000857084668 588886461 /nfs/dbraw/zinc/88/64/61/588886461.db2.gz XDXNZCJPNCAFOE-UHFFFAOYSA-N 2 0 245.370 1.966 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCC[C@H]2c2ncc[nH]2)CC1 ZINC000893570392 583165289 /nfs/dbraw/zinc/16/52/89/583165289.db2.gz DQXWCZOPUSVQMY-ZDUSSCGKSA-N 2 0 248.374 1.888 20 0 BDADRP CC(C)C[C@@H](O)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000222973045 583179678 /nfs/dbraw/zinc/17/96/78/583179678.db2.gz WSBQBTPOIZPWOF-GXTWGEPZSA-N 2 0 242.407 1.713 20 0 BDADRP C[C@@H]1[C@H](C)N(C)CC[N@H+]1CC1CC[NH+](C)CC1 ZINC000893669600 583192418 /nfs/dbraw/zinc/19/24/18/583192418.db2.gz QTDNPNUPYZWYRM-QWHCGFSZSA-N 2 0 239.407 1.353 20 0 BDADRP Fc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000843341277 583227223 /nfs/dbraw/zinc/22/72/23/583227223.db2.gz SYVKBHOJYNRDPQ-IJLUTSLNSA-N 2 0 249.333 1.698 20 0 BDADRP Fc1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000843341294 583227907 /nfs/dbraw/zinc/22/79/07/583227907.db2.gz SYVKBHOJYNRDPQ-SDDRHHMPSA-N 2 0 249.333 1.698 20 0 BDADRP CC(=O)OC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000894454882 583464267 /nfs/dbraw/zinc/46/42/67/583464267.db2.gz BJCARHCSKMQFHI-DGCLKSJQSA-N 2 0 242.363 1.258 20 0 BDADRP C[NH+](C)CCN(Cc1c[nH]cn1)Cc1ccco1 ZINC000894771777 583516824 /nfs/dbraw/zinc/51/68/24/583516824.db2.gz VTFXMVDKQVMECR-UHFFFAOYSA-N 2 0 248.330 1.567 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)C1 ZINC000894845967 583531395 /nfs/dbraw/zinc/53/13/95/583531395.db2.gz MUXLVWVXSCJOQV-BETUJISGSA-N 2 0 226.364 1.485 20 0 BDADRP CC[C@@H]1OCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000894868160 583538322 /nfs/dbraw/zinc/53/83/22/583538322.db2.gz ZYRFAVVMKMXVMH-YUSLTOFOSA-N 2 0 238.375 1.769 20 0 BDADRP CC[N@H+](CC1CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC000895154290 583607299 /nfs/dbraw/zinc/60/72/99/583607299.db2.gz WISMQPFKRZDCAU-CQSZACIVSA-N 2 0 240.391 1.829 20 0 BDADRP CC[C@H](COCC1CC1)[NH2+]Cc1cnc[nH]1 ZINC000895231694 583628937 /nfs/dbraw/zinc/62/89/37/583628937.db2.gz SVQQIDUPCZUQDL-LLVKDONJSA-N 2 0 223.320 1.705 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCCc3cn[nH]c32)C1 ZINC000857872166 588917595 /nfs/dbraw/zinc/91/75/95/588917595.db2.gz HVACCYUHAFIQQL-KGYLQXTDSA-N 2 0 248.374 1.717 20 0 BDADRP C[C@@H](CC[NH2+][C@@H](C)C1CCOCC1)[NH+](C)C ZINC000895292557 583636941 /nfs/dbraw/zinc/63/69/41/583636941.db2.gz GUUONFIFZULHCR-RYUDHWBXSA-N 2 0 228.380 1.731 20 0 BDADRP CC[C@H](C)[C@@H](C[NH2+]CC[C@@H](C)[NH+](C)C)OC ZINC000895291672 583637251 /nfs/dbraw/zinc/63/72/51/583637251.db2.gz AHMXWBDAWYOUPD-YNEHKIRRSA-N 2 0 230.396 1.977 20 0 BDADRP CC(C)c1c[nH]c(CNCC[C@@H](C)[NH+](C)C)n1 ZINC000895290693 583637761 /nfs/dbraw/zinc/63/77/61/583637761.db2.gz QOKUKMCGKCUTOK-LLVKDONJSA-N 2 0 238.379 1.963 20 0 BDADRP COC(=O)C(C)(C)CC[NH2+]CC[C@@H](C)[NH+](C)C ZINC000895294398 583638347 /nfs/dbraw/zinc/63/83/47/583638347.db2.gz PXSHWEIMJDTEFV-LLVKDONJSA-N 2 0 244.379 1.506 20 0 BDADRP c1ncc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)[nH]1 ZINC000895349988 583656229 /nfs/dbraw/zinc/65/62/29/583656229.db2.gz CCPFHGAHBORULY-UHFFFAOYSA-N 2 0 248.374 1.621 20 0 BDADRP CC1=NO[C@@H](C[NH2+]CC2CC[NH+](C)CC2)C1 ZINC000895429784 583668985 /nfs/dbraw/zinc/66/89/85/583668985.db2.gz VCGZXVUMIPDIBL-GFCCVEGCSA-N 2 0 225.336 1.083 20 0 BDADRP CCO[C@@]1(C)C[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000895594771 583695625 /nfs/dbraw/zinc/69/56/25/583695625.db2.gz CQHKSPGEEILVNT-OLZOCXBDSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H]1[C@@H](Nc2cc[nH+]c(CO)c2)CC[N@@H+]1C ZINC000895737703 583718212 /nfs/dbraw/zinc/71/82/12/583718212.db2.gz RVLQNBJLHDNMGV-CABZTGNLSA-N 2 0 221.304 1.078 20 0 BDADRP C[C@H]([NH2+]CCC[NH3+])c1ccc(Cl)nc1 ZINC000147944845 583806283 /nfs/dbraw/zinc/80/62/83/583806283.db2.gz APVJZKHMPIXNRG-QMMMGPOBSA-N 2 0 213.712 1.734 20 0 BDADRP C[NH+]1CCC(C[NH2+]C[C@]2(C)CCCCO2)CC1 ZINC000896923137 583856779 /nfs/dbraw/zinc/85/67/79/583856779.db2.gz GNRPYBQHHUNZLO-AWEZNQCLSA-N 2 0 240.391 1.877 20 0 BDADRP Cc1conc1CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000872142821 583948249 /nfs/dbraw/zinc/94/82/49/583948249.db2.gz FMVJHZXMFGMHGO-CYBMUJFWSA-N 2 0 249.358 1.805 20 0 BDADRP OCc1cc(NCC[NH+]2CCCCC2)cc[nH+]1 ZINC000858349359 588947908 /nfs/dbraw/zinc/94/79/08/588947908.db2.gz LEYGTKLQWMUMEU-UHFFFAOYSA-N 2 0 235.331 1.472 20 0 BDADRP CC[C@@H]1CCN(C(=[NH2+])NC[C@H]2CC[N@H+](C)C2)C1 ZINC000864451342 584005367 /nfs/dbraw/zinc/00/53/67/584005367.db2.gz HCLTYLSZZJYWCC-VXGBXAGGSA-N 2 0 238.379 1.194 20 0 BDADRP CC(C)[NH2+][C@H]1CCCN(c2cc[nH+]c(CO)c2)C1 ZINC000858378979 588949551 /nfs/dbraw/zinc/94/95/51/588949551.db2.gz UMQNUXPIHOODNJ-LBPRGKRZSA-N 2 0 249.358 1.541 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C2CC(CCO)C2)CN1C1CC1 ZINC000898007982 584070588 /nfs/dbraw/zinc/07/05/88/584070588.db2.gz IOBJGDLYQVMCGY-XVSSEFHLSA-N 2 0 238.375 1.362 20 0 BDADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C1CC(CCO)C1 ZINC000898008862 584071230 /nfs/dbraw/zinc/07/12/30/584071230.db2.gz XUGHHWRPGGYYFB-NPZBDFSRSA-N 2 0 238.375 1.220 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000873282270 584129077 /nfs/dbraw/zinc/12/90/77/584129077.db2.gz SIZNVAMONOLIMY-VLJOUNFMSA-N 2 0 226.364 1.659 20 0 BDADRP C[C@H]([NH2+]CCC[C@@H]1CCOC1=O)[C@@H]1CCC[NH2+]1 ZINC000873283634 584129184 /nfs/dbraw/zinc/12/91/84/584129184.db2.gz YLWUOYGWBUNJFI-TUAOUCFPSA-N 2 0 240.347 1.060 20 0 BDADRP Cc1nccnc1[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000873296203 584129260 /nfs/dbraw/zinc/12/92/60/584129260.db2.gz CTHHSXFIWXOJJL-CMPLNLGQSA-N 2 0 236.363 1.953 20 0 BDADRP CC[N@@H+]1CCN(c2cc[nH+]c(CO)c2)[C@@H](C)C1 ZINC000858542307 588963916 /nfs/dbraw/zinc/96/39/16/588963916.db2.gz BKGRUAZFLYDIDU-NSHDSACASA-N 2 0 235.331 1.104 20 0 BDADRP CC[NH+](CC)[C@H](C)CNC(=[NH2+])N[C@@H](C)C1CC1 ZINC000899266047 584189677 /nfs/dbraw/zinc/18/96/77/584189677.db2.gz OVCQUNHNABEICU-MNOVXSKESA-N 2 0 240.395 1.629 20 0 BDADRP C[C@@H](NC(=[NH2+])NC[C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000899266863 584190070 /nfs/dbraw/zinc/19/00/70/584190070.db2.gz IGBMNBSCYHTBRE-MNOVXSKESA-N 2 0 238.379 1.241 20 0 BDADRP C[C@H](CNC(=[NH2+])N[C@@H](C)C1CC1)C[NH+](C)C ZINC000899272371 584191953 /nfs/dbraw/zinc/19/19/53/584191953.db2.gz DSLVOSDWZNWBDC-ZJUUUORDSA-N 2 0 226.368 1.097 20 0 BDADRP C[N@H+](CCCCNc1cc[nH+]c(CO)c1)C1CC1 ZINC000858566462 588966600 /nfs/dbraw/zinc/96/66/00/588966600.db2.gz VGFPZPBRAMGZQF-UHFFFAOYSA-N 2 0 249.358 1.860 20 0 BDADRP C[C@@H]1C[C@H](c2nc(C3([NH3+])CCC3)no2)CC[NH2+]1 ZINC000900009317 584264609 /nfs/dbraw/zinc/26/46/09/584264609.db2.gz WJSSEFKAXDBQBS-RKDXNWHRSA-N 2 0 236.319 1.263 20 0 BDADRP [NH3+][C@@H]1CCCC[C@@H]1c1nc(C2([NH3+])CCC2)no1 ZINC000900009337 584265007 /nfs/dbraw/zinc/26/50/07/584265007.db2.gz WPPRQADMOSZXBH-DTWKUNHWSA-N 2 0 236.319 1.392 20 0 BDADRP C[C@@]1(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CCOC1 ZINC000902321933 584551465 /nfs/dbraw/zinc/55/14/65/584551465.db2.gz ZFNYMNSDBDTNJX-OCCSQVGLSA-N 2 0 240.391 1.781 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CC[C@H]2CCCO2)C1 ZINC000902338840 584556735 /nfs/dbraw/zinc/55/67/35/584556735.db2.gz XZFHEEYESODGKM-QWHCGFSZSA-N 2 0 240.391 1.923 20 0 BDADRP COCCCC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902346251 584558033 /nfs/dbraw/zinc/55/80/33/584558033.db2.gz NVQDJIFHQHCJMX-GFCCVEGCSA-N 2 0 228.380 1.781 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902346425 584558200 /nfs/dbraw/zinc/55/82/00/584558200.db2.gz LUBDOMOVEWUYMP-QWHCGFSZSA-N 2 0 239.407 1.448 20 0 BDADRP [NH3+]C1(C[NH2+][C@H]2CCC23CCOCC3)CC1 ZINC000902406520 584573712 /nfs/dbraw/zinc/57/37/12/584573712.db2.gz NHKAYOJOAFVRNJ-JTQLQIEISA-N 2 0 210.321 1.027 20 0 BDADRP COc1cccc(C[C@@H](C)[NH2+]CC2([NH3+])CC2)n1 ZINC000902407588 584574534 /nfs/dbraw/zinc/57/45/34/584574534.db2.gz RDTMZONFHLPESF-SNVBAGLBSA-N 2 0 235.331 1.102 20 0 BDADRP CC[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)C(C)(C)O ZINC000902388402 584579952 /nfs/dbraw/zinc/57/99/52/584579952.db2.gz PKQYKKSJPLAGOM-RYUDHWBXSA-N 2 0 242.407 1.904 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+]CC2([NH3+])CC2)C12CCCC2 ZINC000902412782 584581449 /nfs/dbraw/zinc/58/14/49/584581449.db2.gz DTRSQQRNYOHDNM-RYUDHWBXSA-N 2 0 238.375 1.805 20 0 BDADRP CC(C)C[C@H](C[NH3+])N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902392882 584583705 /nfs/dbraw/zinc/58/37/05/584583705.db2.gz LOVFMEZKFCBCSD-CHWSQXEVSA-N 2 0 241.423 1.728 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C1 ZINC000902393600 584584155 /nfs/dbraw/zinc/58/41/55/584584155.db2.gz QZBOCNSBMNUMAN-QWHCGFSZSA-N 3 0 239.407 1.354 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC1([NH3+])CC1 ZINC000902403766 584588008 /nfs/dbraw/zinc/58/80/08/584588008.db2.gz BCXHNIMNHRQQBM-NEPJUHHUSA-N 2 0 225.380 1.378 20 0 BDADRP CCn1cnc(CNc2cc(OC)cc[nH+]2)c1 ZINC000902418742 584591920 /nfs/dbraw/zinc/59/19/20/584591920.db2.gz MCOYQGLNXFYZPE-UHFFFAOYSA-N 2 0 232.287 1.919 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CC(C)(C)C1CC1 ZINC000902429718 584594807 /nfs/dbraw/zinc/59/48/07/584594807.db2.gz FSTWSEZWOIDNTC-LBPRGKRZSA-N 2 0 228.380 1.766 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CCC(C)(C)CO1)C1C[NH2+]C1 ZINC000902432805 584595393 /nfs/dbraw/zinc/59/53/93/584595393.db2.gz YDTLYOOYVVKDHF-DGCLKSJQSA-N 2 0 240.391 1.779 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902434285 584595927 /nfs/dbraw/zinc/59/59/27/584595927.db2.gz NDVHIZHQHHZWNE-FAAHXZRKSA-N 2 0 245.370 1.328 20 0 BDADRP [NH3+][C@@H]1c2ccccc2C[C@H]1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000902436122 584596688 /nfs/dbraw/zinc/59/66/88/584596688.db2.gz XIPDBVPWPICUJF-CTHBEMJXSA-N 2 0 245.370 1.471 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902442038 584597502 /nfs/dbraw/zinc/59/75/02/584597502.db2.gz HJHYOEJLYUIVFJ-RWMBFGLXSA-N 2 0 240.391 1.779 20 0 BDADRP CC1(C)C[NH2+]C[C@H]1N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000902442530 584597930 /nfs/dbraw/zinc/59/79/30/584597930.db2.gz JDLAWKKMODTZDV-GRYCIOLGSA-N 2 0 239.407 1.480 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cnn(CCF)c1 ZINC000902444326 584598816 /nfs/dbraw/zinc/59/88/16/584598816.db2.gz GWRDDOQXTOXQKY-RYUDHWBXSA-N 2 0 240.326 1.070 20 0 BDADRP C[C@H](NC[C@@H]1CCCCC[NH2+]1)[C@H]1CCCC[NH2+]1 ZINC000902477730 584603553 /nfs/dbraw/zinc/60/35/53/584603553.db2.gz RIIMISOKJUWBRF-MELADBBJSA-N 2 0 239.407 1.639 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@@H]1CCCCC[NH2+]1 ZINC000902477104 584603803 /nfs/dbraw/zinc/60/38/03/584603803.db2.gz PQBNYOWDNCEQCH-IHRRRGAJSA-N 2 0 239.407 1.626 20 0 BDADRP CC[C@H](N[C@H]1C[NH2+]CC1(C)C)[C@@H]1CCC[NH2+]1 ZINC000902447532 584604587 /nfs/dbraw/zinc/60/45/87/584604587.db2.gz YZSZWVZORUVUIG-SRVKXCTJSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]([NH2+][C@H]1C[NH2+]CC1(C)C)C1CCOCC1 ZINC000902449394 584606115 /nfs/dbraw/zinc/60/61/15/584606115.db2.gz NUHBQVWZTCOILT-PWSUYJOCSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@@H](CCCCO)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902449468 584606274 /nfs/dbraw/zinc/60/62/74/584606274.db2.gz OUSBHBJGWHEQBT-WDEREUQCSA-N 2 0 214.353 1.125 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)[C@@H]1CCCOC1 ZINC000902451382 584607457 /nfs/dbraw/zinc/60/74/57/584607457.db2.gz XEWKMVRBHCUYPU-QJPTWQEYSA-N 2 0 226.364 1.389 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000902452533 584607547 /nfs/dbraw/zinc/60/75/47/584607547.db2.gz KSZRYSCQLFHGSX-LMEMUVGESA-N 2 0 222.332 1.022 20 0 BDADRP CC1(C)CC[N@H+](CCN[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000902453637 584608746 /nfs/dbraw/zinc/60/87/46/584608746.db2.gz CVPCRXLVYIQLNI-STQMWFEESA-N 2 0 239.407 1.578 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@H]21 ZINC000902455829 584609568 /nfs/dbraw/zinc/60/95/68/584609568.db2.gz NEGHSZJJIWHJFS-KKOKHZNYSA-N 2 0 208.349 1.905 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]C[C@]12C[C@H]1COC21CCC1 ZINC000902461736 584611404 /nfs/dbraw/zinc/61/14/04/584611404.db2.gz QKNXHNAJPATXOQ-ZDEQEGDKSA-N 2 0 236.359 1.415 20 0 BDADRP C1CCC2(C1)[NH2+]CC[C@H]2N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902461238 584611409 /nfs/dbraw/zinc/61/14/09/584611409.db2.gz MXJPJIOHUMMOLR-UMSGYPCISA-N 2 0 235.375 1.144 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC000902464225 584612266 /nfs/dbraw/zinc/61/22/66/584612266.db2.gz BAPVFOIQWVFAOJ-CKIKVBCHSA-N 2 0 237.391 1.375 20 0 BDADRP CC[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccncc1 ZINC000902490165 584617637 /nfs/dbraw/zinc/61/76/37/584617637.db2.gz UFRCECBQJNFLCC-RAIGVLPGSA-N 2 0 219.332 1.860 20 0 BDADRP O[C@H](CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000902505849 584621442 /nfs/dbraw/zinc/62/14/42/584621442.db2.gz VMGRNIVAOALBCV-REWJHTLYSA-N 2 0 238.375 1.125 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)[C@H]1CCOC1 ZINC000902482470 584624261 /nfs/dbraw/zinc/62/42/61/584624261.db2.gz LPNUVOPDUOEEKB-IHRRRGAJSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H](N)[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902486951 584626037 /nfs/dbraw/zinc/62/60/37/584626037.db2.gz HYCHZFHYRJIMTJ-MXAVVETBSA-N 2 0 247.386 1.272 20 0 BDADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H](c2cncc(F)c2)C2CC2)C1 ZINC000902487372 584626975 /nfs/dbraw/zinc/62/69/75/584626975.db2.gz UCCGPUFAIPQPTP-OWYVNGRQSA-N 2 0 249.333 1.999 20 0 BDADRP CC(C)C[C@@H](C[NH+](C)C)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000902513999 584629500 /nfs/dbraw/zinc/62/95/00/584629500.db2.gz KDHPJLXWYLMSIG-AGIUHOORSA-N 2 0 229.412 1.678 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000902516553 584630219 /nfs/dbraw/zinc/63/02/19/584630219.db2.gz DJPZKDFVJSWXPW-GZZJDILISA-N 2 0 234.343 1.360 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1COC[C@H]1C1CC1 ZINC000902521414 584631787 /nfs/dbraw/zinc/63/17/87/584631787.db2.gz SOJURVIYBDHFEG-CYDGBPFRSA-N 2 0 224.348 1.128 20 0 BDADRP O[C@@H]1CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903192435 584733931 /nfs/dbraw/zinc/73/39/31/584733931.db2.gz MQNBUDUDHVBGPH-IBYNPJLGSA-N 2 0 236.359 1.257 20 0 BDADRP CN1CC[C@H]1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000903321536 584747024 /nfs/dbraw/zinc/74/70/24/584747024.db2.gz HEDVPJSMYZQXLZ-AWEZNQCLSA-N 2 0 237.391 1.155 20 0 BDADRP CC(C)(C)C[N@H+](CCCO)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903434355 584762029 /nfs/dbraw/zinc/76/20/29/584762029.db2.gz DEYOHDNNYZJWGL-OLZOCXBDSA-N 2 0 242.407 1.844 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](CCCO)CC(C)(C)C ZINC000903435093 584762078 /nfs/dbraw/zinc/76/20/78/584762078.db2.gz NTRVTMDYJFDXJD-OLZOCXBDSA-N 2 0 242.407 1.572 20 0 BDADRP C[N@H+](CCC1CCOCC1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903439764 584762515 /nfs/dbraw/zinc/76/25/15/584762515.db2.gz OCWGUKDGLNDMAQ-KGLIPLIRSA-N 2 0 240.391 1.862 20 0 BDADRP C([C@H]1CCC[NH2+]1)[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000903441428 584763919 /nfs/dbraw/zinc/76/39/19/584763919.db2.gz RPMHWGHIFJKOQQ-XQQFMLRXSA-N 2 0 224.348 1.239 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000903423394 584764203 /nfs/dbraw/zinc/76/42/03/584764203.db2.gz UTTDZLDCFLVDEP-GFCCVEGCSA-N 2 0 229.327 1.949 20 0 BDADRP CC(C)[C@H]([NH3+])CCN(C)C[C@H]1CCC[NH2+]1 ZINC000903424700 584764272 /nfs/dbraw/zinc/76/42/72/584764272.db2.gz BZBIKEBRFYGZJI-VXGBXAGGSA-N 2 0 213.369 1.044 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903425015 584765273 /nfs/dbraw/zinc/76/52/73/584765273.db2.gz ORIBUMJJWUTFKB-LPWJVIDDSA-N 3 0 225.380 1.173 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903425014 584765336 /nfs/dbraw/zinc/76/53/36/584765336.db2.gz ORIBUMJJWUTFKB-LOWDOPEQSA-N 3 0 225.380 1.173 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000903460810 584766460 /nfs/dbraw/zinc/76/64/60/584766460.db2.gz IRUQOLJOGODTEB-OUAUKWLOSA-N 2 0 230.302 1.573 20 0 BDADRP CC[N@H+](CCc1ccccn1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903442697 584768062 /nfs/dbraw/zinc/76/80/62/584768062.db2.gz YVIGAHFBLKNXLF-KGLIPLIRSA-N 2 0 247.386 1.802 20 0 BDADRP C([C@H]1CCC[NH2+]1)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000903453635 584772869 /nfs/dbraw/zinc/77/28/69/584772869.db2.gz GHRWTBKNPLLUBO-MCIONIFRSA-N 2 0 237.391 1.345 20 0 BDADRP CC(C)(C)[C@H](CN)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903454715 584773143 /nfs/dbraw/zinc/77/31/43/584773143.db2.gz IGRYNVCXVUMNCD-VWYCJHECSA-N 2 0 213.369 1.077 20 0 BDADRP C(C[C@H]1CCC[NH2+]C1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903471862 584775239 /nfs/dbraw/zinc/77/52/39/584775239.db2.gz VDYKPXCIRLTZDK-CHWSQXEVSA-N 3 0 237.391 1.250 20 0 BDADRP C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903481914 584778778 /nfs/dbraw/zinc/77/87/78/584778778.db2.gz QGDKYZYTYOBIID-AVGNSLFASA-N 2 0 238.375 1.676 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000903482183 584778899 /nfs/dbraw/zinc/77/88/99/584778899.db2.gz YWZCJLYQKJDMLM-YIYPIFLZSA-N 2 0 238.375 1.343 20 0 BDADRP CC1CC[NH+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903717622 584792231 /nfs/dbraw/zinc/79/22/31/584792231.db2.gz BUCIIHIVALYODL-UONOGXRCSA-N 2 0 238.375 1.487 20 0 BDADRP CCCN(C[C@H]1CCCC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000903717100 584792422 /nfs/dbraw/zinc/79/24/22/584792422.db2.gz ZQWMENQNNFFMQE-UONOGXRCSA-N 2 0 239.407 1.450 20 0 BDADRP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[NH+]1CCCCCC1 ZINC000903717002 584792526 /nfs/dbraw/zinc/79/25/26/584792526.db2.gz GGHVRPLFQQLJEY-KGLIPLIRSA-N 2 0 238.375 1.631 20 0 BDADRP C[C@@H]1CCC[N@@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903729257 584792697 /nfs/dbraw/zinc/79/26/97/584792697.db2.gz LKKPECOGYCNSCE-JHJVBQTASA-N 2 0 224.348 1.239 20 0 BDADRP OCCCC[N@H+](C[C@H]1CCCC[NH2+]C1)C1CC1 ZINC000903729568 584792774 /nfs/dbraw/zinc/79/27/74/584792774.db2.gz OVSCNDGNWCSIBU-ZDUSSCGKSA-N 2 0 240.391 1.613 20 0 BDADRP CC[N@H+](CC1CC1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903729915 584792795 /nfs/dbraw/zinc/79/27/95/584792795.db2.gz SNEOCYLGMWXTJK-UONOGXRCSA-N 2 0 238.375 1.487 20 0 BDADRP C([C@H]1CCCC[NH2+]C1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000903749874 584794852 /nfs/dbraw/zinc/79/48/52/584794852.db2.gz RCZOBEAFQUGRRI-MJBXVCDLSA-N 2 0 237.391 1.060 20 0 BDADRP CC[N@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C1CCC1 ZINC000903735136 584795923 /nfs/dbraw/zinc/79/59/23/584795923.db2.gz YBPOVFHICNJNSC-KBPBESRZSA-N 2 0 238.375 1.629 20 0 BDADRP OC1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000903753038 584795929 /nfs/dbraw/zinc/79/59/29/584795929.db2.gz YNDDDPQBUWOGEJ-UHFFFAOYSA-N 2 0 246.354 1.289 20 0 BDADRP CC1CC(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)C1 ZINC000903761589 584797080 /nfs/dbraw/zinc/79/70/80/584797080.db2.gz WUKAGLPOAVZZBD-PYNQCMFNSA-N 2 0 210.365 1.949 20 0 BDADRP CC12CC(C1)C[N@@H+]2C[C@H]1CCCC[NH2+]C1 ZINC000903770343 584797817 /nfs/dbraw/zinc/79/78/17/584797817.db2.gz XBRXFZZWRAGZLS-HIFPTAJRSA-N 2 0 208.349 1.860 20 0 BDADRP C(N[C@H]1CC[NH2+]C12CCC2)[C@@H]1CCCC[NH2+]C1 ZINC000903769847 584797921 /nfs/dbraw/zinc/79/79/21/584797921.db2.gz PMHUJNLLPXFATC-OLZOCXBDSA-N 2 0 237.391 1.250 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CCCC[NH2+]C2)C[C@H]1CC[NH3+] ZINC000903784720 584800010 /nfs/dbraw/zinc/80/00/10/584800010.db2.gz QOBGCRWBTITSFO-HZSPNIEDSA-N 3 0 239.407 1.293 20 0 BDADRP NC[C@]12CC[C@H]1CC[N@@H+]2CCCCCC[NH3+] ZINC000903861430 584811639 /nfs/dbraw/zinc/81/16/39/584811639.db2.gz WWOTYSPEAKZDJG-QWHCGFSZSA-N 2 0 225.380 1.319 20 0 BDADRP CC(C)(C)CN(CCO)C[C@@H]([NH3+])CC(F)F ZINC000903891668 584813994 /nfs/dbraw/zinc/81/39/94/584813994.db2.gz NDVDQOQXMLPRFX-VIFPVBQESA-N 2 0 238.322 1.309 20 0 BDADRP C([C@@H]1C[C@H]2C[C@H]2C1)[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869167 584814816 /nfs/dbraw/zinc/81/48/16/584814816.db2.gz CXEZWDNGXDHYGL-CRWXNKLISA-N 2 0 220.360 1.860 20 0 BDADRP C[C@@H]1C[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H](C)N1 ZINC000903873698 584816101 /nfs/dbraw/zinc/81/61/01/584816101.db2.gz KVEGDHRICJEFFB-DUJLVANISA-N 2 0 237.391 1.199 20 0 BDADRP [NH3+][C@@H](CC(F)F)CN1CCC(CCO)CC1 ZINC000903878412 584816600 /nfs/dbraw/zinc/81/66/00/584816600.db2.gz JAUOYJFPVIYIQA-JTQLQIEISA-N 2 0 236.306 1.063 20 0 BDADRP CCOC(=O)C[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903881334 584817647 /nfs/dbraw/zinc/81/76/47/584817647.db2.gz YIZPWDVGXJVTAI-YOGCLGLASA-N 2 0 240.347 1.012 20 0 BDADRP C[C@H](O)C[C@H]1CCCN1C[C@H]([NH3+])CC(F)F ZINC000903896994 584819650 /nfs/dbraw/zinc/81/96/50/584819650.db2.gz XBZWMDLKJVWKMF-IVZWLZJFSA-N 2 0 236.306 1.204 20 0 BDADRP CN(C[C@@H]([NH3+])CC(F)F)[C@H](CO)C(C)(C)C ZINC000903898178 584819959 /nfs/dbraw/zinc/81/99/59/584819959.db2.gz LNFMTFQBLFCSDQ-DTWKUNHWSA-N 2 0 238.322 1.308 20 0 BDADRP CC[C@](C)(CCO)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903903860 584820841 /nfs/dbraw/zinc/82/08/41/584820841.db2.gz XPFZKIMEUMKREC-WTUNAVPPSA-N 2 0 240.391 1.658 20 0 BDADRP OCC[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCC1 ZINC000903913077 584822529 /nfs/dbraw/zinc/82/25/29/584822529.db2.gz LIFWUPMOGNYZRT-YHWZYXNKSA-N 2 0 238.375 1.364 20 0 BDADRP C([NH2+][C@H]1CC12CC[NH2+]CC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903919048 584823141 /nfs/dbraw/zinc/82/31/41/584823141.db2.gz KVRFMKZPTGCLCB-GSPSYOTPSA-N 3 0 249.402 1.249 20 0 BDADRP C[NH2+]Cc1cccc(NC[C@@H]([NH3+])CC(F)F)c1 ZINC000903919861 584823350 /nfs/dbraw/zinc/82/33/50/584823350.db2.gz PVQIUFAUOIBVFX-JTQLQIEISA-N 2 0 243.301 1.800 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903921012 584823392 /nfs/dbraw/zinc/82/33/92/584823392.db2.gz ZOYYSULUSQSSKT-WODVXLOZSA-N 3 0 225.380 1.234 20 0 BDADRP CC[N@@H+]1CCCC[C@H]1CNC[C@@H]([NH3+])CC(F)F ZINC000903923145 584823562 /nfs/dbraw/zinc/82/35/62/584823562.db2.gz MNHOASYSHNPUSF-QWRGUYRKSA-N 2 0 249.349 1.433 20 0 BDADRP Cc1cccc(CC[NH2+]C[C@H]([NH3+])CC(F)F)n1 ZINC000903928343 584824624 /nfs/dbraw/zinc/82/46/24/584824624.db2.gz XSGRPVOWKDGWTK-SNVBAGLBSA-N 2 0 243.301 1.505 20 0 BDADRP [NH3+][C@@H](CC(F)F)CN1CCCCC[C@@H]([NH3+])C1 ZINC000903934200 584825161 /nfs/dbraw/zinc/82/51/61/584825161.db2.gz DHSNJMGGMGHCPS-ZJUUUORDSA-N 2 0 235.322 1.172 20 0 BDADRP CCc1ncc(C[NH2+]CCC(C)(C)[NH3+])s1 ZINC000903938936 584825164 /nfs/dbraw/zinc/82/51/64/584825164.db2.gz QPVKZHVTUNYDBH-UHFFFAOYSA-N 2 0 227.377 1.923 20 0 BDADRP C[C@@H](C[NH2+]C[C@H]([NH3+])CC(F)F)c1ccncc1 ZINC000903935509 584825580 /nfs/dbraw/zinc/82/55/80/584825580.db2.gz QVOZZYQXCNBYAX-GXSJLCMTSA-N 2 0 243.301 1.757 20 0 BDADRP [NH3+]C[C@H](NCc1cccc2c1CC[NH2+]C2)C1CC1 ZINC000903918036 584826795 /nfs/dbraw/zinc/82/67/95/584826795.db2.gz QRNLOBRBSKBHME-HNNXBMFYSA-N 3 0 245.370 1.159 20 0 BDADRP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000903918199 584826881 /nfs/dbraw/zinc/82/68/81/584826881.db2.gz UWKVBMGTUZNBAZ-OEWLLCOZSA-N 3 0 249.402 1.201 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cnc3cnccn23)C1 ZINC000903959450 584827475 /nfs/dbraw/zinc/82/74/75/584827475.db2.gz IGQPOMKXBMWBSN-GHMZBOCLSA-N 2 0 245.330 1.089 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)NCCC(C)(C)[NH3+] ZINC000903939957 584828943 /nfs/dbraw/zinc/82/89/43/584828943.db2.gz RMEHNQKNXBREKU-GHMZBOCLSA-N 2 0 213.369 1.234 20 0 BDADRP C[C@@H](O)c1ncc(C[NH2+]CCC(C)(C)[NH3+])s1 ZINC000903940045 584829090 /nfs/dbraw/zinc/82/90/90/584829090.db2.gz UILAMHWDRWSEGV-MRVPVSSYSA-N 2 0 243.376 1.413 20 0 BDADRP CC[N@@H+]1CC[C@H](NCCC(C)(C)[NH3+])[C@@H](C)C1 ZINC000903939857 584829248 /nfs/dbraw/zinc/82/92/48/584829248.db2.gz PBGKLCBLCPDMDA-RYUDHWBXSA-N 2 0 227.396 1.434 20 0 BDADRP CCC1([NH3+])CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000903949148 584829843 /nfs/dbraw/zinc/82/98/43/584829843.db2.gz ZDINZYQXHZNKSX-LBPRGKRZSA-N 2 0 225.380 1.189 20 0 BDADRP C[N@H+](CCC[NH3+])CCCC[NH+]1CCCCC1 ZINC000903949179 584830282 /nfs/dbraw/zinc/83/02/82/584830282.db2.gz ZRIOFZYVVXRGRO-UHFFFAOYSA-N 2 0 227.396 1.533 20 0 BDADRP CC[N@@H+]1CC[C@H](NCc2cc(N)cc[nH+]2)[C@H](C)C1 ZINC000903950164 584831097 /nfs/dbraw/zinc/83/10/97/584831097.db2.gz JBYQWMVQHAAIFU-RISCZKNCSA-N 2 0 248.374 1.484 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000903955960 584831995 /nfs/dbraw/zinc/83/19/95/584831995.db2.gz DDTYMQYQDBCSMD-AXFHLTTASA-N 2 0 247.333 1.091 20 0 BDADRP COC[C@H](C)C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903956686 584832240 /nfs/dbraw/zinc/83/22/40/584832240.db2.gz MXBBYGCHXSCYSW-ZJUUUORDSA-N 2 0 236.306 1.103 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccccn1 ZINC000903974341 584832758 /nfs/dbraw/zinc/83/27/58/584832758.db2.gz OVVXIXCXTICDSU-VXGBXAGGSA-N 2 0 219.332 1.417 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000903963664 584833518 /nfs/dbraw/zinc/83/35/18/584833518.db2.gz FAIQLWHBLKYYND-LPWJVIDDSA-N 2 0 226.364 1.388 20 0 BDADRP Cc1ccccc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903964025 584834279 /nfs/dbraw/zinc/83/42/79/584834279.db2.gz FJTBZVODDVYYPC-OCCSQVGLSA-N 2 0 218.344 1.940 20 0 BDADRP Cc1ccncc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903968694 584834877 /nfs/dbraw/zinc/83/48/77/584834877.db2.gz YUEBFNRHEQSFRE-YPMHNXCESA-N 2 0 219.332 1.335 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000903968681 584835122 /nfs/dbraw/zinc/83/51/22/584835122.db2.gz YIBBRZRDEYREIL-UHOFOFEASA-N 2 0 244.382 1.989 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CN1CCC[C@@H]([NH3+])C1 ZINC000904299568 584860648 /nfs/dbraw/zinc/86/06/48/584860648.db2.gz IACJLHKTWQLZNU-VXGBXAGGSA-N 2 0 227.396 1.563 20 0 BDADRP C[C@@H]1CN(C[C@]2(C)CCC[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC000904299622 584860666 /nfs/dbraw/zinc/86/06/66/584860666.db2.gz JWSLAOPQVNVLQC-JHJVBQTASA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H]1CN(C[C@]2(C)CCC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC000904299621 584860898 /nfs/dbraw/zinc/86/08/98/584860898.db2.gz JWSLAOPQVNVLQC-FRRDWIJNSA-N 2 0 225.380 1.058 20 0 BDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccc(C[NH3+])cc1 ZINC000904300763 584861050 /nfs/dbraw/zinc/86/10/50/584861050.db2.gz AHGXREDPFZSUIH-OAHLLOKOSA-N 3 0 249.402 1.951 20 0 BDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904300772 584861250 /nfs/dbraw/zinc/86/12/50/584861250.db2.gz ANZDJKFEYYBAGO-GRYCIOLGSA-N 3 0 213.369 1.029 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CN1CCC(C[NH3+])CC1 ZINC000904300146 584861311 /nfs/dbraw/zinc/86/13/11/584861311.db2.gz XFSGFWDSGROCED-ZDUSSCGKSA-N 2 0 241.423 1.811 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCN(C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC000904301062 584861354 /nfs/dbraw/zinc/86/13/54/584861354.db2.gz FRNRQQLIOJMRLR-RWMBFGLXSA-N 3 0 241.423 1.809 20 0 BDADRP C[NH2+]C[C@@H]1CCCN1C[C@H]([NH3+])CCC(C)(C)C ZINC000904300957 584861460 /nfs/dbraw/zinc/86/14/60/584861460.db2.gz CIBAVAWEXIZGOB-OLZOCXBDSA-N 2 0 241.423 1.824 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCN(C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC000904301064 584861608 /nfs/dbraw/zinc/86/16/08/584861608.db2.gz FRNRQQLIOJMRLR-YNEHKIRRSA-N 3 0 241.423 1.809 20 0 BDADRP CC(C)N(CCO)C[C@H]([NH3+])CCC(C)(C)C ZINC000904304214 584862363 /nfs/dbraw/zinc/86/23/63/584862363.db2.gz VTQDRDVWPNUOIC-GFCCVEGCSA-N 2 0 230.396 1.843 20 0 BDADRP Cc1cc([C@@H]2CCC[N@@H+]2C[C@H]2C[C@@H]([NH3+])C2)no1 ZINC000904309236 584862566 /nfs/dbraw/zinc/86/25/66/584862566.db2.gz DYUZFCCHSJTAOU-LOWVWBTDSA-N 2 0 235.331 1.857 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@@H]2CN2CCCC2)C1 ZINC000904313875 584863304 /nfs/dbraw/zinc/86/33/04/584863304.db2.gz MJZFEOMUBBNGDX-HZSPNIEDSA-N 2 0 237.391 1.284 20 0 BDADRP Cc1cc([C@H]2CCC[N@@H+]2C[C@H]2C[C@@H]([NH3+])C2)on1 ZINC000904312746 584863630 /nfs/dbraw/zinc/86/36/30/584863630.db2.gz SDDKBMSEIBGLLG-GRYCIOLGSA-N 2 0 235.331 1.857 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@H]2C[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000904322571 584864436 /nfs/dbraw/zinc/86/44/36/584864436.db2.gz DEKZSFLLCSPWAS-YIYPIFLZSA-N 3 0 239.407 1.386 20 0 BDADRP C[C@H](O)CC[N@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904322076 584864517 /nfs/dbraw/zinc/86/45/17/584864517.db2.gz NXKWEZGETJTYDP-RYUDHWBXSA-N 2 0 214.353 1.079 20 0 BDADRP C[C@@H]1C[C@@H]([N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)CCN1C ZINC000904323288 584864586 /nfs/dbraw/zinc/86/45/86/584864586.db2.gz NSQXFFVFGXJFPR-NDBYEHHHSA-N 2 0 225.380 1.138 20 0 BDADRP C[C@@]1(C[N@@H+]2CCC[C@H](CC[NH3+])C2)CCC[NH2+]C1 ZINC000904334437 584866368 /nfs/dbraw/zinc/86/63/68/584866368.db2.gz WBDWGZHTTCGEIF-ZIAGYGMSSA-N 3 0 239.407 1.437 20 0 BDADRP CCN1C[C@H](C)[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1C ZINC000904340728 584866875 /nfs/dbraw/zinc/86/68/75/584866875.db2.gz LBRPMFXUJSDWOR-ZDEQEGDKSA-N 2 0 225.380 1.138 20 0 BDADRP C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904343293 584867787 /nfs/dbraw/zinc/86/77/87/584867787.db2.gz SGMGBUMQYNNNIC-NJMOYASZSA-N 2 0 226.364 1.205 20 0 BDADRP CC[C@@]1(CO)CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904347742 584868067 /nfs/dbraw/zinc/86/80/67/584868067.db2.gz JOWFSAWQDMKECY-FRRDWIJNSA-N 2 0 226.364 1.208 20 0 BDADRP Cn1nccc1[C@H]1CCCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904350942 584869550 /nfs/dbraw/zinc/86/95/50/584869550.db2.gz RTKFDNMHHZWHOB-MBNYWOFBSA-N 2 0 248.374 1.684 20 0 BDADRP C[C@H](NCc1nccn1C1CC1)[C@H]1CCC[NH2+]C1 ZINC000904353393 584869780 /nfs/dbraw/zinc/86/97/80/584869780.db2.gz LLFRXQIMYRYXAB-RYUDHWBXSA-N 2 0 248.374 1.696 20 0 BDADRP [NH3+]C1(CNCc2nccn2C2CC2)CCCCC1 ZINC000904353781 584870257 /nfs/dbraw/zinc/87/02/57/584870257.db2.gz QYNMXBIVXHPZSY-UHFFFAOYSA-N 2 0 248.374 1.969 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000904354505 584870408 /nfs/dbraw/zinc/87/04/08/584870408.db2.gz AJSVNNBXKNNBAY-AGIUHOORSA-N 2 0 241.423 2.000 20 0 BDADRP [NH3+]CC1CC([NH2+]Cc2cccc3c2CCCN3)C1 ZINC000904355974 584871239 /nfs/dbraw/zinc/87/12/39/584871239.db2.gz YROUBNVEAUEMLR-UHFFFAOYSA-N 2 0 245.370 1.872 20 0 BDADRP [NH3+]CC1CC([NH2+][C@H](CCO)c2ccccc2)C1 ZINC000904360299 584871638 /nfs/dbraw/zinc/87/16/38/584871638.db2.gz ZCDAMVRHLDZDQO-UXUKBGGZSA-N 2 0 234.343 1.437 20 0 BDADRP Cc1ccccc1C[NH2+]C1CC(C[NH3+])C1 ZINC000904359914 584871730 /nfs/dbraw/zinc/87/17/30/584871730.db2.gz HFSCFBQBGISWGG-UHFFFAOYSA-N 2 0 204.317 1.822 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CN[C@@H]1CCCC[NH2+]C1 ZINC000904357861 584872014 /nfs/dbraw/zinc/87/20/14/584872014.db2.gz BZGXAHNODUMOKH-QWHCGFSZSA-N 2 0 241.423 1.872 20 0 BDADRP C[C@@]1(CNCCC[NH2+]C2CC2)CCC[NH2+]C1 ZINC000904357710 584872215 /nfs/dbraw/zinc/87/22/15/584872215.db2.gz ANISPYPCOYGPRL-CYBMUJFWSA-N 2 0 225.380 1.108 20 0 BDADRP COCCC[NH2+]C[C@@H]([NH3+])CCC(C)(C)C ZINC000904367948 584872625 /nfs/dbraw/zinc/87/26/25/584872625.db2.gz KZWOOEZKQRNYCT-NSHDSACASA-N 2 0 216.369 1.766 20 0 BDADRP Cc1cccc(CC[NH2+]C[C@@]2(C)CCC[NH2+]C2)n1 ZINC000904368121 584872784 /nfs/dbraw/zinc/87/27/84/584872784.db2.gz IFPASPRFRCBZEB-HNNXBMFYSA-N 2 0 247.386 1.912 20 0 BDADRP Cc1cccc(CC[NH2+]C[C@]2(C)CCC[NH2+]C2)n1 ZINC000904368122 584872890 /nfs/dbraw/zinc/87/28/90/584872890.db2.gz IFPASPRFRCBZEB-OAHLLOKOSA-N 2 0 247.386 1.912 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)C1 ZINC000904372094 584873359 /nfs/dbraw/zinc/87/33/59/584873359.db2.gz YMFCSVGSZCGGEZ-ATGSNQNLSA-N 2 0 246.354 1.532 20 0 BDADRP C[C@H]1CC2(C[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1)CC[NH2+]CC2 ZINC000904374086 584873937 /nfs/dbraw/zinc/87/39/37/584873937.db2.gz MOFAHMAOIYZDQB-RWMBFGLXSA-N 3 0 237.391 1.188 20 0 BDADRP Cc1cc(C[NH2+]C[C@H]2C[C@@H]([NH3+])C2)ccc1F ZINC000904363139 584874314 /nfs/dbraw/zinc/87/43/14/584874314.db2.gz BXQFIEDABAHCQN-TXEJJXNPSA-N 2 0 222.307 1.961 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])C[NH2+]C[C@H]1CCCO1 ZINC000904363951 584874380 /nfs/dbraw/zinc/87/43/80/584874380.db2.gz GNGDRWKUALLLDJ-NWDGAFQWSA-N 2 0 228.380 1.909 20 0 BDADRP CCc1noc(CC)c1C[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904364101 584874604 /nfs/dbraw/zinc/87/46/04/584874604.db2.gz RMQITWJNKROOJU-AOOOYVTPSA-N 2 0 237.347 1.626 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904388749 584875090 /nfs/dbraw/zinc/87/50/90/584875090.db2.gz OBWQMNZASAXECF-IUODEOHRSA-N 3 0 247.386 1.481 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])C[NH2+]CCC1(C[NH3+])CC1 ZINC000904375892 584875185 /nfs/dbraw/zinc/87/51/85/584875185.db2.gz JROVKGTTZCMMRG-LBPRGKRZSA-N 3 0 241.423 1.859 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CNc3ccccc3C2)C1 ZINC000904375592 584875365 /nfs/dbraw/zinc/87/53/65/584875365.db2.gz CHLQGNHGQCRPTO-UHTWSYAYSA-N 2 0 231.343 1.350 20 0 BDADRP [NH3+]CCN1CCC([NH2+]C2CCC=CCC2)CC1 ZINC000904389232 584875379 /nfs/dbraw/zinc/87/53/79/584875379.db2.gz UUANHFTWYCFMLC-UHFFFAOYSA-N 2 0 237.391 1.498 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CCN1C[C@H]([NH3+])CCC(C)(C)C ZINC000904375852 584875674 /nfs/dbraw/zinc/87/56/74/584875674.db2.gz HWYKBXPVIATTFO-JHJVBQTASA-N 2 0 241.423 1.952 20 0 BDADRP C[C@]1(C[NH2+]CCC2(C[NH3+])CC2)CCC[NH2+]C1 ZINC000904376357 584876095 /nfs/dbraw/zinc/87/60/95/584876095.db2.gz PMMYIASUQHQAPI-LBPRGKRZSA-N 3 0 225.380 1.095 20 0 BDADRP C[C@@]1(CN2CCCCC[C@H]([NH3+])C2)CCC[NH2+]C1 ZINC000904381222 584876567 /nfs/dbraw/zinc/87/65/67/584876567.db2.gz LSNBHAFAVCNWCU-UONOGXRCSA-N 2 0 239.407 1.579 20 0 BDADRP C[C@@H](C[NH2+]C1CC(C[NH3+])C1)c1ccncc1 ZINC000904380922 584876612 /nfs/dbraw/zinc/87/66/12/584876612.db2.gz QCVVDFRWAXWRRN-ZBOXLXRLSA-N 2 0 219.332 1.512 20 0 BDADRP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC000904383991 584877492 /nfs/dbraw/zinc/87/74/92/584877492.db2.gz GEGXQPAFVWHFFW-JSGCOSHPSA-N 3 0 239.407 1.354 20 0 BDADRP [NH3+]CC1CC([NH2+][C@H]2CCCn3nccc32)C1 ZINC000904384839 584877562 /nfs/dbraw/zinc/87/75/62/584877562.db2.gz NOZLIIFIYGWMLP-ILDUYXDCSA-N 2 0 220.320 1.045 20 0 BDADRP CC(C)([NH3+])CCNC[C@@]1(C)CCC[NH2+]C1 ZINC000904386276 584877654 /nfs/dbraw/zinc/87/76/54/584877654.db2.gz VHLOITNPEDVEOR-LBPRGKRZSA-N 2 0 213.369 1.093 20 0 BDADRP Cc1ccc(CCC[N@@H+]2CC[C@H](CC[NH3+])C2)cn1 ZINC000904405301 584878263 /nfs/dbraw/zinc/87/82/63/584878263.db2.gz KIVMICUSZDCRQB-HNNXBMFYSA-N 2 0 247.386 1.993 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@H](CC[NH3+])C2)CC[NH2+]1 ZINC000904407105 584878494 /nfs/dbraw/zinc/87/84/94/584878494.db2.gz NITMXAUTXWEEQC-AGIUHOORSA-N 3 0 225.380 1.045 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC000904407290 584878945 /nfs/dbraw/zinc/87/89/45/584878945.db2.gz SNDSBZWPCFDBQC-CQSZACIVSA-N 3 0 233.359 1.316 20 0 BDADRP CC(C)[C@H](C[NH3+])C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000904410597 584879069 /nfs/dbraw/zinc/87/90/69/584879069.db2.gz PNOLQIMAPLSHCG-JHJVBQTASA-N 3 0 227.396 1.134 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000904407673 584879088 /nfs/dbraw/zinc/87/90/88/584879088.db2.gz YOZBBXDLINFRCD-FUDCBSFHSA-N 3 0 237.391 1.188 20 0 BDADRP C[C@H]1CN(CC[NH2+]C(C)(C)C)CC[C@@H]1C[NH3+] ZINC000904409708 584879337 /nfs/dbraw/zinc/87/93/37/584879337.db2.gz GYGROZOEHHCTPL-NWDGAFQWSA-N 2 0 227.396 1.291 20 0 BDADRP Cc1n[nH]cc1C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000904412324 584879563 /nfs/dbraw/zinc/87/95/63/584879563.db2.gz SCVUIHPXPRRHSU-GXSJLCMTSA-N 2 0 222.336 1.135 20 0 BDADRP CCC[C@@H](C)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420262 584881998 /nfs/dbraw/zinc/88/19/98/584881998.db2.gz IRKJJTNVNYWGOF-FRRDWIJNSA-N 2 0 210.365 1.964 20 0 BDADRP CCC[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000732812012 584941387 /nfs/dbraw/zinc/94/13/87/584941387.db2.gz ZKYFAYIGGDGJRO-UHFFFAOYSA-N 2 0 225.380 1.108 20 0 BDADRP [NH3+]CC1CCC([NH2+]C[C@H]2CCC=CO2)CC1 ZINC000817924460 584991358 /nfs/dbraw/zinc/99/13/58/584991358.db2.gz RRJLGHJFHZPGAZ-WXRRBKDZSA-N 2 0 224.348 1.786 20 0 BDADRP C[N@H+](C[C@H]1CCCO1)CC1CC[NH+](C)CC1 ZINC000738311683 585042293 /nfs/dbraw/zinc/04/22/93/585042293.db2.gz IEJDPEBYPJMXHM-CYBMUJFWSA-N 2 0 226.364 1.439 20 0 BDADRP C[N@@H+]1CCCC12CC[NH+](C[C@@H](O)C1CC1)CC2 ZINC000838910116 585077863 /nfs/dbraw/zinc/07/78/63/585077863.db2.gz MVICCMVEINNLHE-CYBMUJFWSA-N 2 0 238.375 1.318 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc3c(c2)COC3)C1 ZINC000843057893 585336791 /nfs/dbraw/zinc/33/67/91/585336791.db2.gz NLRHBZVDAGCVGU-WCQYABFASA-N 2 0 246.354 1.886 20 0 BDADRP C[N@@H+]1CC[C@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC000765140719 585481773 /nfs/dbraw/zinc/48/17/73/585481773.db2.gz ALTSHCTUUOMQKN-AWEZNQCLSA-N 2 0 237.391 1.155 20 0 BDADRP C[C@@H]1CN(CC[C@@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC000767586327 585522920 /nfs/dbraw/zinc/52/29/20/585522920.db2.gz GAHHHCYYVCZVJV-OLZOCXBDSA-N 2 0 225.380 1.107 20 0 BDADRP C[C@@H]1[C@H](C)N(CC[NH+]2CCCC2)CC[N@H+]1C ZINC000771458168 585594802 /nfs/dbraw/zinc/59/48/02/585594802.db2.gz CZBPWWOVAGVOTF-OLZOCXBDSA-N 2 0 225.380 1.107 20 0 BDADRP c1nncn1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000776759415 585704898 /nfs/dbraw/zinc/70/48/98/585704898.db2.gz NSUARALENXTQDQ-UHFFFAOYSA-N 2 0 249.362 1.043 20 0 BDADRP C[C@H](CCO)[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000779413870 585753313 /nfs/dbraw/zinc/75/33/13/585753313.db2.gz XGDGZWVQWUZHSK-PNESKVBLSA-N 2 0 228.380 1.467 20 0 BDADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CC[C@H]2C)CC1 ZINC000783223972 585831107 /nfs/dbraw/zinc/83/11/07/585831107.db2.gz ORIGQXMQQLHLMB-KGLIPLIRSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@@H]1CC[C@@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000783221777 585831226 /nfs/dbraw/zinc/83/12/26/585831226.db2.gz HXJDAUXMYGLOHJ-KGLIPLIRSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@H]1CC[C@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000783240805 585831869 /nfs/dbraw/zinc/83/18/69/585831869.db2.gz RQVMGUWTCGXSOD-UONOGXRCSA-N 2 0 239.407 1.402 20 0 BDADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2CC[C@H]2C)CC1 ZINC000783250221 585832231 /nfs/dbraw/zinc/83/22/31/585832231.db2.gz WRVFOFJDUCYYJV-OLZOCXBDSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@@H](O)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178574 586165543 /nfs/dbraw/zinc/16/55/43/586165543.db2.gz VSROMGNXVONKIL-GFCCVEGCSA-N 2 0 226.364 1.175 20 0 BDADRP CCn1cc(C[NH2+]CCCCCC[NH3+])cn1 ZINC000843128030 586414179 /nfs/dbraw/zinc/41/41/79/586414179.db2.gz STPFHQHCGXRJGP-UHFFFAOYSA-N 2 0 224.352 1.512 20 0 BDADRP O[C@@H](CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000808711970 586483878 /nfs/dbraw/zinc/48/38/78/586483878.db2.gz XPJFARNNPIGSNZ-KKUMJFAQSA-N 2 0 246.354 1.261 20 0 BDADRP CC[C@@H](C(=O)N[C@H](C[NH+](C)C)C(C)C)[NH+](C)C ZINC000840344937 586814871 /nfs/dbraw/zinc/81/48/71/586814871.db2.gz MWPATCXORKBGRV-NEPJUHHUSA-N 2 0 243.395 1.029 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(Cl)nc1 ZINC000817891178 586832833 /nfs/dbraw/zinc/83/28/33/586832833.db2.gz HHFSJPYZBPATKY-DTWKUNHWSA-N 2 0 227.739 1.950 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC000817892692 586833253 /nfs/dbraw/zinc/83/32/53/586833253.db2.gz BPLFKBFIJJHZJR-VHDGCEQUSA-N 2 0 248.370 1.698 20 0 BDADRP Cc1ccc([C@@H](O)C[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000817893774 586834085 /nfs/dbraw/zinc/83/40/85/586834085.db2.gz VNLLBRUOFYYKBD-FZMZJTMJSA-N 2 0 234.343 1.226 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCNc1ccccc1 ZINC000817901755 586835852 /nfs/dbraw/zinc/83/58/52/586835852.db2.gz YEKUEJXOKBVWAC-NWDGAFQWSA-N 2 0 221.348 1.814 20 0 BDADRP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000817905239 586836989 /nfs/dbraw/zinc/83/69/89/586836989.db2.gz KYVZDLJUIMBASC-JMSVASOKSA-N 2 0 248.370 1.696 20 0 BDADRP C[C@@H]1CCC[N@@H+]1CCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000817911429 586838126 /nfs/dbraw/zinc/83/81/26/586838126.db2.gz AHFBMIXKWBTMEG-UPJWGTAASA-N 2 0 225.380 1.188 20 0 BDADRP C[C@](O)(C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000817912143 586838215 /nfs/dbraw/zinc/83/82/15/586838215.db2.gz FOMQOROPPNJEAR-YUELXQCFSA-N 2 0 248.370 1.611 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCN1CCC[C@H]1C ZINC000817913670 586839129 /nfs/dbraw/zinc/83/91/29/586839129.db2.gz QFMWJCNHWMFTQX-CHWSQXEVSA-N 2 0 227.396 1.578 20 0 BDADRP Cc1ccc([C@H](O)C[NH2+][C@H]2CCC[C@@H]2C[NH3+])o1 ZINC000817913692 586839302 /nfs/dbraw/zinc/83/93/02/586839302.db2.gz QSNMHUUATSVCAZ-GRYCIOLGSA-N 2 0 238.331 1.338 20 0 BDADRP Cc1ncc(CC[NH2+][C@@H](C)C[C@H](C)[NH3+])s1 ZINC000817915042 586839526 /nfs/dbraw/zinc/83/95/26/586839526.db2.gz GYTRRKALRHHIOW-IUCAKERBSA-N 2 0 227.377 1.709 20 0 BDADRP C[C@H](CN[C@H]1CCC[C@@H]1[NH3+])[NH+]1CCCCC1 ZINC000817914679 586839582 /nfs/dbraw/zinc/83/95/82/586839582.db2.gz XZHMNPLVIGGMNQ-AGIUHOORSA-N 2 0 225.380 1.330 20 0 BDADRP C[C@@H]1CCC[N@@H+]1CCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000817913652 586839611 /nfs/dbraw/zinc/83/96/11/586839611.db2.gz PNMXYOWBRRLMLB-MCIONIFRSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NCC[N@@H+]1CCC[C@H]1C ZINC000817914428 586839709 /nfs/dbraw/zinc/83/97/09/586839709.db2.gz XGAOJDJQCFIIQM-QJPTWQEYSA-N 2 0 213.369 1.186 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000817917284 586839850 /nfs/dbraw/zinc/83/98/50/586839850.db2.gz ANANEGMRBBFHEV-SDDRHHMPSA-N 2 0 242.363 1.388 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000817917283 586840335 /nfs/dbraw/zinc/84/03/35/586840335.db2.gz ANANEGMRBBFHEV-QJPTWQEYSA-N 2 0 242.363 1.388 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H](CCO)C2CC2)c2ccccc21 ZINC000817917787 586840686 /nfs/dbraw/zinc/84/06/86/586840686.db2.gz HTXSFSIJCBWTCK-RBSFLKMASA-N 2 0 246.354 1.882 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000817926925 586841123 /nfs/dbraw/zinc/84/11/23/586841123.db2.gz WTZQFJKOPBZGBH-NRUUGDAUSA-N 2 0 240.322 1.575 20 0 BDADRP C[C@@H]([NH2+]CC[C@](C)(O)c1ccccc1)C1C[NH2+]C1 ZINC000817923943 586841293 /nfs/dbraw/zinc/84/12/93/586841293.db2.gz ITLMSBPKNRVUKD-DOMZBBRYSA-N 2 0 248.370 1.482 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000817926922 586841651 /nfs/dbraw/zinc/84/16/51/586841651.db2.gz WTZQFJKOPBZGBH-GBIKHYSHSA-N 2 0 240.322 1.575 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)[C@H](O)c1ccccc1 ZINC000817930567 586842284 /nfs/dbraw/zinc/84/22/84/586842284.db2.gz DBUCYVSLWLYWLY-MNXVOIDGSA-N 2 0 236.359 1.824 20 0 BDADRP Cc1cc(C)cc([C@@H](O)C[NH2+][C@@H](C)C2C[NH2+]C2)c1 ZINC000817929663 586842534 /nfs/dbraw/zinc/84/25/34/586842534.db2.gz KBRGNSJTUOXINQ-WFASDCNBSA-N 2 0 248.370 1.534 20 0 BDADRP C[C@@H]([NH2+]C[C@]1(C)CC1(Cl)Cl)C1C[NH2+]C1 ZINC000817935697 586844201 /nfs/dbraw/zinc/84/42/01/586844201.db2.gz DAPZERNYPLYUNQ-APPZFPTMSA-N 2 0 237.174 1.768 20 0 BDADRP C1CC1[C@H]1CC[C@@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000817976767 586860203 /nfs/dbraw/zinc/86/02/03/586860203.db2.gz SXGZYGMOROEYJO-AGIUHOORSA-N 2 0 220.360 1.907 20 0 BDADRP C[C@H]1CC2(C[N@@H+]1CCF)CC[NH2+]CC2 ZINC000818341205 586887273 /nfs/dbraw/zinc/88/72/73/586887273.db2.gz XZHXDKXVCMEQCT-JTQLQIEISA-N 2 0 200.301 1.420 20 0 BDADRP CC1(NC(=O)c2cccc(C[NH3+])c2)CC[NH2+]CC1 ZINC000818583734 586903182 /nfs/dbraw/zinc/90/31/82/586903182.db2.gz RGTGOCUKYAEXNS-UHFFFAOYSA-N 2 0 247.342 1.017 20 0 BDADRP C[NH+](C)CC1(C[NH2+]C[C@H](O)C2CC2)CCCC1 ZINC000819228643 586940719 /nfs/dbraw/zinc/94/07/19/586940719.db2.gz VSJKIQVYHRIUDH-ZDUSSCGKSA-N 2 0 240.391 1.469 20 0 BDADRP CC[C@@H]1C[N@H+](C)CCN1CC[NH+]1CCCC1 ZINC000823199978 587207925 /nfs/dbraw/zinc/20/79/25/587207925.db2.gz LOWIUDUJBNGUHP-CYBMUJFWSA-N 2 0 225.380 1.108 20 0 BDADRP COc1cncc(CN(C)CCC[NH+](C)C)c1 ZINC000825903893 587344843 /nfs/dbraw/zinc/34/48/43/587344843.db2.gz VOOKWIZOAXGWLS-UHFFFAOYSA-N 2 0 237.347 1.474 20 0 BDADRP CCC[N@H+](C)CC(=O)N(C)C1CCC([NH3+])CC1 ZINC000832828551 587692703 /nfs/dbraw/zinc/69/27/03/587692703.db2.gz FSGPSVOEUKIDLP-UHFFFAOYSA-N 2 0 241.379 1.057 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)CCCCCC[NH3+])C1 ZINC000834460362 587755676 /nfs/dbraw/zinc/75/56/76/587755676.db2.gz JCFIHBBSOMYRKI-NWDGAFQWSA-N 2 0 241.379 1.091 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)C[C@H]([NH3+])C2CC2)cc1 ZINC000834536708 587758885 /nfs/dbraw/zinc/75/88/85/587758885.db2.gz OOTWFXHJOOPLOR-LBPRGKRZSA-N 2 0 233.315 1.211 20 0 BDADRP C[C@H](Cc1cnccn1)[NH2+]CCN1CCC[C@@H]1C ZINC000834607177 587760536 /nfs/dbraw/zinc/76/05/36/587760536.db2.gz SCWJAAQEFDEKPF-OLZOCXBDSA-N 2 0 248.374 1.482 20 0 BDADRP [NH3+]CCCCCC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000834846433 587768663 /nfs/dbraw/zinc/76/86/63/587768663.db2.gz WDEIEXUJWVVLIC-UHFFFAOYSA-N 2 0 247.342 1.747 20 0 BDADRP [NH3+]CCC[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000841020161 587935632 /nfs/dbraw/zinc/93/56/32/587935632.db2.gz NTCMXQIOXMVGPS-LLVKDONJSA-N 2 0 205.305 1.220 20 0 BDADRP CC(C)([NH3+])C[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000841031524 587936339 /nfs/dbraw/zinc/93/63/39/587936339.db2.gz UTURVNBXKVFALF-UTLUCORTSA-N 2 0 246.445 1.693 20 0 BDADRP CC(C)([NH3+])C[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000841031461 587936828 /nfs/dbraw/zinc/93/68/28/587936828.db2.gz UTURVNBXKVFALF-BBBLOLIVSA-N 2 0 246.445 1.693 20 0 BDADRP Cc1csc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)n1 ZINC000841079728 587944685 /nfs/dbraw/zinc/94/46/85/587944685.db2.gz MZRZNMZDIZTTBI-SNVBAGLBSA-N 2 0 237.372 1.683 20 0 BDADRP CC(C)C[C@](C)(C[NH3+])NC(=O)CCCCC[NH3+] ZINC000841848801 587975909 /nfs/dbraw/zinc/97/59/09/587975909.db2.gz DFMRCMZAPCXCFW-CYBMUJFWSA-N 2 0 243.395 1.385 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)CCCCC[NH3+] ZINC000841848673 587977992 /nfs/dbraw/zinc/97/79/92/587977992.db2.gz WALXZGQWQRWGDZ-NSHDSACASA-N 2 0 229.368 1.139 20 0 BDADRP CCC[C@H]1C[NH2+]CCN1C(=O)CCCCC[NH3+] ZINC000841849325 587978021 /nfs/dbraw/zinc/97/80/21/587978021.db2.gz KHQZHAVTXOOGRB-LBPRGKRZSA-N 2 0 241.379 1.106 20 0 BDADRP [NH3+]Cc1cccc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000841850726 587978207 /nfs/dbraw/zinc/97/82/07/587978207.db2.gz FGXXEJAGQPCJHL-STQMWFEESA-N 2 0 247.342 1.145 20 0 BDADRP [NH3+][C@@H](C(=O)N[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000841852294 587978266 /nfs/dbraw/zinc/97/82/66/587978266.db2.gz YKBHLYPKZROHOY-RWMBFGLXSA-N 2 0 247.342 1.073 20 0 BDADRP Cn1cnc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000842222048 588007557 /nfs/dbraw/zinc/00/75/57/588007557.db2.gz XPIFTWLSKUQLRQ-LBPRGKRZSA-N 2 0 236.363 1.242 20 0 BDADRP C[C@@H]1CN(Cc2ccc3c(c2)COC3)C[C@H]1[NH3+] ZINC000842474904 588029283 /nfs/dbraw/zinc/02/92/83/588029283.db2.gz FOGAUJLXVIMZMC-QMTHXVAHSA-N 2 0 232.327 1.496 20 0 BDADRP C[C@@H](Cn1cccn1)[NH2+]CCCCCCC[NH3+] ZINC000842478731 588029826 /nfs/dbraw/zinc/02/98/26/588029826.db2.gz OAYHGVVUWURMPC-ZDUSSCGKSA-N 2 0 238.379 1.770 20 0 BDADRP N[C@@H](c1nc([C@@H]2CCC[NH2+]2)no1)c1ccccc1 ZINC000842644897 588048071 /nfs/dbraw/zinc/04/80/71/588048071.db2.gz IWRFBMCPJIHTNB-WDEREUQCSA-N 2 0 244.298 1.542 20 0 BDADRP C[C@@H](NC1CC1)c1nc([C@H]2CCC[NH2+]2)no1 ZINC000842644119 588048346 /nfs/dbraw/zinc/04/83/46/588048346.db2.gz QNSOLYMHRKGEOU-VXNVDRBHSA-N 2 0 222.292 1.307 20 0 BDADRP C([C@@H]1CCCOC1)[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000843043799 588075812 /nfs/dbraw/zinc/07/58/12/588075812.db2.gz HSZHCRLFXPPRRS-LBPRGKRZSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](NCc2ccc(CC[NH3+])cc2)C1 ZINC000843125579 588084057 /nfs/dbraw/zinc/08/40/57/588084057.db2.gz CTEYINSSGPSAJK-WFASDCNBSA-N 2 0 247.386 1.275 20 0 BDADRP c1cc2c(cc1NC[C@@H]1CCC[NH2+]1)C[NH2+]CCO2 ZINC000843125884 588084194 /nfs/dbraw/zinc/08/41/94/588084194.db2.gz KBJCJEMNEUJOLW-ZDUSSCGKSA-N 2 0 247.342 1.333 20 0 BDADRP [NH3+]CCOc1ccc(NCC2CC[NH2+]CC2)cc1 ZINC000843126450 588084201 /nfs/dbraw/zinc/08/42/01/588084201.db2.gz SCWOJQOGKXJNFN-UHFFFAOYSA-N 2 0 249.358 1.436 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCCCC[NH3+])[C@@H](C)C1 ZINC000843126544 588084583 /nfs/dbraw/zinc/08/45/83/588084583.db2.gz IOFGVLJKQOKKAB-UONOGXRCSA-N 2 0 241.423 1.825 20 0 BDADRP NC(=O)c1cccc(C[NH2+]CCCCCC[NH3+])c1 ZINC000843126538 588084789 /nfs/dbraw/zinc/08/47/89/588084789.db2.gz IMALMGHRLCYAEL-UHFFFAOYSA-N 2 0 249.358 1.394 20 0 BDADRP Cn1ccc(C[NH2+]CCCCCC[NH3+])n1 ZINC000843127371 588085219 /nfs/dbraw/zinc/08/52/19/588085219.db2.gz OJDKOGLYWWJADA-UHFFFAOYSA-N 2 0 210.325 1.029 20 0 BDADRP C[C@H]1CN(C)C[C@H]1[NH2+]CCCCCC[NH3+] ZINC000843342128 588100890 /nfs/dbraw/zinc/10/08/90/588100890.db2.gz NKOXSOZHHXQBJX-NWDGAFQWSA-N 2 0 213.369 1.045 20 0 BDADRP CC1(C)NC(=O)CC[C@@H]1[NH2+]CCCCCC[NH3+] ZINC000843341660 588100957 /nfs/dbraw/zinc/10/09/57/588100957.db2.gz LANRTKWICIPHLK-NSHDSACASA-N 2 0 241.379 1.152 20 0 BDADRP C[C@H]([NH2+]CCCCCC[NH3+])[C@H]1CCCO1 ZINC000843342729 588101461 /nfs/dbraw/zinc/10/14/61/588101461.db2.gz SRSPKCZFCNBOQM-NWDGAFQWSA-N 2 0 214.353 1.663 20 0 BDADRP C[C@H]([NH2+]CCCCCC[NH3+])c1ccn(C)n1 ZINC000843344296 588102172 /nfs/dbraw/zinc/10/21/72/588102172.db2.gz UELVKRRXTCCOKG-NSHDSACASA-N 2 0 224.352 1.590 20 0 BDADRP C[C@@H](CN)[N@H+](C)CCCCCCC[NH3+] ZINC000843350035 588102578 /nfs/dbraw/zinc/10/25/78/588102578.db2.gz DUUAMIWLFRRVBO-NSHDSACASA-N 2 0 201.358 1.175 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCCCC[NH3+] ZINC000843511720 588117652 /nfs/dbraw/zinc/11/76/52/588117652.db2.gz JDGPWCJPVJCZGW-NEPJUHHUSA-N 2 0 241.379 1.010 20 0 BDADRP CC[C@@H]([NH3+])CNC(=O)CCCC[NH+]1CCCC1 ZINC000844197703 588173176 /nfs/dbraw/zinc/17/31/76/588173176.db2.gz PLXRNDLNNCLDRR-GFCCVEGCSA-N 2 0 241.379 1.106 20 0 BDADRP CC(C)[C@@H](C(=O)NCCCCCC[NH3+])[NH+](C)C ZINC000844201354 588173379 /nfs/dbraw/zinc/17/33/79/588173379.db2.gz PLOLYJXLJSRWBB-LBPRGKRZSA-N 2 0 243.395 1.208 20 0 BDADRP c1n[nH]cc1C1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000844222014 588174376 /nfs/dbraw/zinc/17/43/76/588174376.db2.gz QHOXKRKYOAYMRJ-NSHDSACASA-N 2 0 234.347 1.199 20 0 BDADRP NC(=O)C[C@@H]1CCCC[N@@H+]1CCCCCC[NH3+] ZINC000846218012 588259681 /nfs/dbraw/zinc/25/96/81/588259681.db2.gz GJKGQXFZWOZFEZ-LBPRGKRZSA-N 2 0 241.379 1.235 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000846220438 588259988 /nfs/dbraw/zinc/25/99/88/588259988.db2.gz PIUMHWZQAVBWQY-CYBMUJFWSA-N 3 0 225.380 1.191 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCCCCC[NH3+])C1 ZINC000846217968 588260361 /nfs/dbraw/zinc/26/03/61/588260361.db2.gz PPGDIKDSEQDOLZ-STQMWFEESA-N 2 0 227.396 1.565 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccoc2)C1 ZINC000848563902 588397465 /nfs/dbraw/zinc/39/74/65/588397465.db2.gz YWMXXUAJAUGBFL-TXEJJXNPSA-N 2 0 208.305 1.709 20 0 BDADRP Cc1cccc([C@H](O)C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000848720496 588408654 /nfs/dbraw/zinc/40/86/54/588408654.db2.gz YRDHRYNJFLANJB-RRFJBIMHSA-N 2 0 248.370 1.888 20 0 BDADRP [NH2+]=C(NCCC[NH+]1CCCCC1)N1CCC1 ZINC000848982636 588422749 /nfs/dbraw/zinc/42/27/49/588422749.db2.gz PDLGZIJMOUQBGL-UHFFFAOYSA-N 2 0 224.352 1.092 20 0 BDADRP CCC(CC)[C@@H](CNC1=[NH+]C[C@H](C)N1)[NH+](C)C ZINC000848984263 588424977 /nfs/dbraw/zinc/42/49/77/588424977.db2.gz FSUJJZCDWLZILZ-CMPLNLGQSA-N 2 0 240.395 1.290 20 0 BDADRP CCNC(=[NH2+])NC[C@@H](C(CC)CC)[NH+](C)C ZINC000848984296 588425034 /nfs/dbraw/zinc/42/50/34/588425034.db2.gz ITDLXNIRONQJNQ-NSHDSACASA-N 2 0 228.384 1.487 20 0 BDADRP CCNC(=[NH2+])NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000848987176 588425985 /nfs/dbraw/zinc/42/59/85/588425985.db2.gz LIVFUOJJZPJNQD-QWRGUYRKSA-N 2 0 226.368 1.241 20 0 BDADRP C[C@H](CNC(=[NH2+])N(C)C)[N@@H+]1CCCC[C@H]1C ZINC000848987406 588426096 /nfs/dbraw/zinc/42/60/96/588426096.db2.gz ULAKZQIIFHUNMV-GHMZBOCLSA-N 2 0 226.368 1.335 20 0 BDADRP CC[C@H](C)NC(=[NH2+])NCC[NH+]1CCCCCC1 ZINC000848987769 588426124 /nfs/dbraw/zinc/42/61/24/588426124.db2.gz YXHBDPYQRGOUCA-LBPRGKRZSA-N 2 0 240.395 1.775 20 0 BDADRP C[C@@H]1CCC[N@H+](CCNC(=[NH2+])NC2CCC2)C1 ZINC000848987716 588426159 /nfs/dbraw/zinc/42/61/59/588426159.db2.gz UTCMJAORGNEKBL-LLVKDONJSA-N 2 0 238.379 1.385 20 0 BDADRP C[NH+](C)CCCCNC(=[NH2+])N1CCCCCC1 ZINC000848989803 588426729 /nfs/dbraw/zinc/42/67/29/588426729.db2.gz BVJGNJMKCPVPRD-UHFFFAOYSA-N 2 0 240.395 1.729 20 0 BDADRP C[C@@H](CNC(=[NH2+])N1CCC1)[NH+]1CCCCC1 ZINC000848995523 588428535 /nfs/dbraw/zinc/42/85/35/588428535.db2.gz OHCJJTKHUFPVQS-NSHDSACASA-N 2 0 224.352 1.091 20 0 BDADRP CCCNC(=[NH2+])NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000849023192 588439633 /nfs/dbraw/zinc/43/96/33/588439633.db2.gz WIGMHMBGEZFOCZ-LBPRGKRZSA-N 2 0 238.379 1.527 20 0 BDADRP CN(C)C(=[NH2+])NCCCCC[NH+]1CCCC1 ZINC000849033032 588443580 /nfs/dbraw/zinc/44/35/80/588443580.db2.gz ALBCOUUAGJHUHM-UHFFFAOYSA-N 2 0 226.368 1.338 20 0 BDADRP CN(C(=[NH2+])NCC[N@@H+]1CCCC1(C)C)C1CC1 ZINC000849038708 588446246 /nfs/dbraw/zinc/44/62/46/588446246.db2.gz YUKKFLGZMOWMAP-UHFFFAOYSA-N 2 0 238.379 1.479 20 0 BDADRP C[N@H+](CCCCNC(=[NH2+])NC(C)(C)C)C1CC1 ZINC000849039817 588447153 /nfs/dbraw/zinc/44/71/53/588447153.db2.gz SZMGEMMDGTYOPZ-UHFFFAOYSA-N 2 0 240.395 1.773 20 0 BDADRP CN(C(=[NH2+])NCC[C@H]1CCC[N@H+](C)C1)C1CC1 ZINC000849040714 588447591 /nfs/dbraw/zinc/44/75/91/588447591.db2.gz CNWRHSUQLQGIOS-LLVKDONJSA-N 2 0 238.379 1.337 20 0 BDADRP CC[C@@H](C)NC(=[NH2+])NCC[C@@H]1CCC[N@H+](C)C1 ZINC000849041071 588448074 /nfs/dbraw/zinc/44/80/74/588448074.db2.gz JLIWJDWEVOYIQO-NEPJUHHUSA-N 2 0 240.395 1.631 20 0 BDADRP CC[C@@H](C)NC(=[NH2+])NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000849050376 588451870 /nfs/dbraw/zinc/45/18/70/588451870.db2.gz ZHAYNBRENAUBOX-MXWKQRLJSA-N 2 0 226.368 1.239 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](CNC(=[NH2+])NC2CCCC2)C1 ZINC000849050355 588451898 /nfs/dbraw/zinc/45/18/98/588451898.db2.gz YLFUAGRLGBOGKE-KLPPZKSPSA-N 2 0 238.379 1.383 20 0 BDADRP CO[C@H]1CC[C@@H]([NH+]2CCC([NH+](C)C)CC2)C1 ZINC000851726219 588617855 /nfs/dbraw/zinc/61/78/55/588617855.db2.gz NRGIMBQTSYNGJE-OLZOCXBDSA-N 2 0 226.364 1.580 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCC(OC)OC)C1 ZINC000851798877 588630305 /nfs/dbraw/zinc/63/03/05/588630305.db2.gz JAYPYAGODJEVPS-LBPRGKRZSA-N 2 0 244.379 1.269 20 0 BDADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)C1CC1)C2 ZINC000852107447 588663955 /nfs/dbraw/zinc/66/39/55/588663955.db2.gz LLNVHQWJLKBRTB-KBPBESRZSA-N 2 0 238.375 1.175 20 0 BDADRP CO[C@H](C[N@@H+]1CCC[C@@H](C[NH3+])C1)C1CCCC1 ZINC000852744316 588698963 /nfs/dbraw/zinc/69/89/63/588698963.db2.gz YIQGFIHCBLVXAL-GXTWGEPZSA-N 2 0 240.391 1.862 20 0 BDADRP CCC[N@H+](CCOC(F)F)C1CC[NH2+]CC1 ZINC000852747159 588699042 /nfs/dbraw/zinc/69/90/42/588699042.db2.gz XSKFNTIUXAOBGW-UHFFFAOYSA-N 2 0 236.306 1.690 20 0 BDADRP C[C@]1(C(N)=O)CC[N@H+](CCCCCCC[NH3+])C1 ZINC000852760869 588701039 /nfs/dbraw/zinc/70/10/39/588701039.db2.gz NTACJNXOQCBHGU-ZDUSSCGKSA-N 2 0 241.379 1.093 20 0 BDADRP CC(C)[C@H]([NH3+])CCNC(=O)c1cccc(C[NH3+])c1 ZINC000852868111 588709521 /nfs/dbraw/zinc/70/95/21/588709521.db2.gz NSWNBXGXQLUIPN-CYBMUJFWSA-N 2 0 249.358 1.249 20 0 BDADRP CC[C@H]1C[C@H](C[NH2+][C@@H]2CC[NH2+]C2)CCO1 ZINC000863489375 589293760 /nfs/dbraw/zinc/29/37/60/589293760.db2.gz YIGZYLQZMDPUTK-UTUOFQBUSA-N 2 0 212.337 1.143 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000863544402 589296879 /nfs/dbraw/zinc/29/68/79/589296879.db2.gz SQWOIVMYFCNHHE-NWDGAFQWSA-N 2 0 214.353 1.247 20 0 BDADRP [NH3+]C1(C[NH2+][C@H]2CC[C@@H]2C2CC2)CCOCC1 ZINC000863541307 589297073 /nfs/dbraw/zinc/29/70/73/589297073.db2.gz KGWCZDUBZJPUDO-NEPJUHHUSA-N 2 0 224.348 1.273 20 0 BDADRP C[C@@H]([NH3+])C[N@H+](C)CCCCCCC[NH3+] ZINC000863567200 589299335 /nfs/dbraw/zinc/29/93/35/589299335.db2.gz CNHDBPANXNHJMV-LLVKDONJSA-N 2 0 201.358 1.175 20 0 BDADRP C[C@H]([NH3+])C[N@H+](C)CCCC1CC[NH2+]CC1 ZINC000863569535 589300608 /nfs/dbraw/zinc/30/06/08/589300608.db2.gz YESJIRMYAULOMH-NSHDSACASA-N 3 0 213.369 1.045 20 0 BDADRP C[C@H]1C[C@H]1NC(=[NH2+])NCCC[NH2+]C(C)(C)C ZINC000864454596 589366266 /nfs/dbraw/zinc/36/62/66/589366266.db2.gz OYFJZWAAWPNYOS-VHSXEESVSA-N 2 0 226.368 1.287 20 0 BDADRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])N[C@@H]2C[C@H]2C)C1 ZINC000864456266 589366898 /nfs/dbraw/zinc/36/68/98/589366898.db2.gz HKLINPXQDOGCFG-IJLUTSLNSA-N 2 0 238.379 1.241 20 0 BDADRP CC[N@H+](CCNC(=[NH2+])NCCC1CC1)C(C)C ZINC000864456129 589367011 /nfs/dbraw/zinc/36/70/11/589367011.db2.gz CTNZWLGKBNBXJB-UHFFFAOYSA-N 2 0 240.395 1.631 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1C ZINC000864458613 589368268 /nfs/dbraw/zinc/36/82/68/589368268.db2.gz OYADDJQYEUKRKY-IJLUTSLNSA-N 2 0 238.379 1.383 20 0 BDADRP CCCC[N@H+](C)CCNC(=[NH2+])N[C@@H]1C[C@@H]1C ZINC000864459038 589368299 /nfs/dbraw/zinc/36/82/99/589368299.db2.gz YQKKUTWCVPOOCY-WDEREUQCSA-N 2 0 226.368 1.241 20 0 BDADRP C[C@H]1C[C@H]1NC(=[NH2+])NCc1ccc2c[nH+]cn2c1 ZINC000864467477 589371689 /nfs/dbraw/zinc/37/16/89/589371689.db2.gz XTMKQGZWJIKOFG-JOYOIKCWSA-N 2 0 243.314 1.357 20 0 BDADRP CC[C@@H](C)C[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000865660062 589454780 /nfs/dbraw/zinc/45/47/80/589454780.db2.gz VLDYUODNEBEYHS-NEPJUHHUSA-N 2 0 228.380 1.467 20 0 BDADRP CC(C)[C@H]1CN(c2cc[nH+]c(CO)c2)CC[N@@H+]1C ZINC000866216552 589481053 /nfs/dbraw/zinc/48/10/53/589481053.db2.gz SWKQNIHWNFZERQ-CQSZACIVSA-N 2 0 249.358 1.350 20 0 BDADRP C[C@](C[NH3+])([NH2+]C[C@@H]1CCC(C)(C)CO1)C1CC1 ZINC000866661390 589508610 /nfs/dbraw/zinc/50/86/10/589508610.db2.gz OPOFHXXTVJGYDS-GXTWGEPZSA-N 2 0 240.391 1.909 20 0 BDADRP [NH3+]CCCCCCN1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000866717330 589514258 /nfs/dbraw/zinc/51/42/58/589514258.db2.gz BSALKOCBYVYZDK-UONOGXRCSA-N 2 0 239.407 1.579 20 0 BDADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](C[C@H]2CCOC2)C1 ZINC000866707195 589514473 /nfs/dbraw/zinc/51/44/73/589514473.db2.gz SYZIWFPUEFUQEZ-TZMCWYRMSA-N 2 0 240.391 1.720 20 0 BDADRP CC1(C)[C@@H]([NH3+])c2ccccc2N1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000867987283 589542658 /nfs/dbraw/zinc/54/26/58/589542658.db2.gz JENVDILCFWJHDX-SCVCMEIPSA-N 2 0 245.326 1.159 20 0 BDADRP C[C@@H](C[NH3+])C(=O)N1c2ccccc2[C@@H]([NH3+])C1(C)C ZINC000867988466 589542820 /nfs/dbraw/zinc/54/28/20/589542820.db2.gz MHHMONQKUBNLRX-JOYOIKCWSA-N 2 0 247.342 1.406 20 0 BDADRP C[C@](C[NH3+])([NH2+]C[C@H]1CC2(CCC2)CO1)C1CC1 ZINC000872141248 589881680 /nfs/dbraw/zinc/88/16/80/589881680.db2.gz AKPJMXDPQQHBHX-CHWSQXEVSA-N 2 0 238.375 1.663 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000872141314 589881778 /nfs/dbraw/zinc/88/17/78/589881778.db2.gz DIDQWGZZLAJVSD-OLZOCXBDSA-N 2 0 238.375 1.487 20 0 BDADRP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000872141922 589882042 /nfs/dbraw/zinc/88/20/42/589882042.db2.gz ZPVNPLUIBVPUPA-XUXIUFHCSA-N 2 0 240.391 1.907 20 0 BDADRP Cc1conc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000872142640 589883286 /nfs/dbraw/zinc/88/32/86/589883286.db2.gz BUGBEBPEJZIGMG-QWHCGFSZSA-N 2 0 249.358 1.805 20 0 BDADRP CO[C@H]1C[C@@H](C[NH+]2CCC3(CC[NH2+]C3)CC2)C1 ZINC000872143387 589883607 /nfs/dbraw/zinc/88/36/07/589883607.db2.gz QQUZECMDIWKSTF-BETUJISGSA-N 2 0 238.375 1.487 20 0 BDADRP Cc1conc1C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000872145577 589884393 /nfs/dbraw/zinc/88/43/93/589884393.db2.gz UDNGSBQOGIRBLT-LBPRGKRZSA-N 2 0 249.358 1.947 20 0 BDADRP CO[C@@H](C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1)C1CCC1 ZINC000872154206 589885278 /nfs/dbraw/zinc/88/52/78/589885278.db2.gz NKKSODFEHGIKQN-MELADBBJSA-N 2 0 238.375 1.343 20 0 BDADRP CCO[C@@H](C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1)C1CC1 ZINC000872154825 589886031 /nfs/dbraw/zinc/88/60/31/589886031.db2.gz ZPFOKTGHQYAATG-MELADBBJSA-N 2 0 238.375 1.343 20 0 BDADRP COCC1([N@H+](C)CC[C@@H]2CCC[NH2+]C2)CCC1 ZINC000872157084 589886220 /nfs/dbraw/zinc/88/62/20/589886220.db2.gz ISACZLAHGARBIQ-ZDUSSCGKSA-N 2 0 240.391 1.877 20 0 BDADRP C[N@H+](CCCCCC[NH3+])CCC1CC[NH2+]CC1 ZINC000872155135 589886377 /nfs/dbraw/zinc/88/63/77/589886377.db2.gz DSYKDRNSPKICMQ-UHFFFAOYSA-N 3 0 241.423 1.827 20 0 BDADRP CC[C@@H]1COCCN1CCNc1cccc(C)n1 ZINC000872772633 589967681 /nfs/dbraw/zinc/96/76/81/589967681.db2.gz XHXWKMRIBBPDQC-CYBMUJFWSA-N 2 0 249.358 1.913 20 0 BDADRP CC(C)[C@@H](C[NH3+])CN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000873213502 589990021 /nfs/dbraw/zinc/99/00/21/589990021.db2.gz FXKNMRTUMHVHDF-STQMWFEESA-N 3 0 225.380 1.045 20 0 BDADRP CC[N@H+](CCO)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873200360 589992872 /nfs/dbraw/zinc/99/28/72/589992872.db2.gz FMDVYJFQZPKLMQ-UHFFFAOYSA-N 2 0 240.372 1.208 20 0 BDADRP CC(C)[C@H](C[NH3+])CN1CC[C@]2(CCC[NH2+]2)C1 ZINC000873213499 589997262 /nfs/dbraw/zinc/99/72/62/589997262.db2.gz FXKNMRTUMHVHDF-CHWSQXEVSA-N 3 0 225.380 1.045 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CCCC[C@@H]2F)CC[NH2+]C1 ZINC000873216081 589998400 /nfs/dbraw/zinc/99/84/00/589998400.db2.gz IJCBENBKKAFGST-TUAOUCFPSA-N 2 0 214.328 1.856 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)C1CC[NH2+]CC1 ZINC000873219881 589998747 /nfs/dbraw/zinc/99/87/47/589998747.db2.gz GWKWTCJMOSUYBN-FRRDWIJNSA-N 3 0 239.407 1.352 20 0 BDADRP CCn1nccc1C[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873221569 589999938 /nfs/dbraw/zinc/99/99/38/589999938.db2.gz XDKKTSVCDFJRIR-LLVKDONJSA-N 2 0 236.363 1.381 20 0 BDADRP CC(=O)C1CC[NH+](C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000873228016 590000851 /nfs/dbraw/zinc/00/08/51/590000851.db2.gz PYRIYHFJGAXYPT-YPMHNXCESA-N 2 0 238.375 1.676 20 0 BDADRP C([NH2+][C@]12CCC[C@H]1[NH2+]CC2)[C@@H]1CCCOC1 ZINC000873229882 590002330 /nfs/dbraw/zinc/00/23/30/590002330.db2.gz IDIZLBXPSBHZGD-XQQFMLRXSA-N 2 0 224.348 1.287 20 0 BDADRP C[N@H+](CCCCCC[NH3+])C[C@]1(C)CC[NH2+]C1 ZINC000873231498 590002870 /nfs/dbraw/zinc/00/28/70/590002870.db2.gz LEUMRIDIRIQWBB-CYBMUJFWSA-N 3 0 227.396 1.437 20 0 BDADRP C[N@H+](CCCCCC[NH3+])C[C@]12C[C@H]1C[NH2+]C2 ZINC000873231465 590003081 /nfs/dbraw/zinc/00/30/81/590003081.db2.gz KCCAVNNGJJGOIW-QWHCGFSZSA-N 3 0 225.380 1.047 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@]12CCC[C@H]1[NH2+]CC2 ZINC000873232436 590003227 /nfs/dbraw/zinc/00/32/27/590003227.db2.gz ZZKQIFRUQRSFQO-XQQFMLRXSA-N 2 0 225.380 1.234 20 0 BDADRP [NH3+]CCC[NH2+][C@@H]1CCCCC12CC[NH2+]CC2 ZINC000873232358 590003418 /nfs/dbraw/zinc/00/34/18/590003418.db2.gz XKXGCICUYXREDT-GFCCVEGCSA-N 3 0 225.380 1.237 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000873237867 590004174 /nfs/dbraw/zinc/00/41/74/590004174.db2.gz USKXGLUUUIBSTF-FRRDWIJNSA-N 2 0 239.407 1.352 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000873237866 590004359 /nfs/dbraw/zinc/00/43/59/590004359.db2.gz USKXGLUUUIBSTF-AGIUHOORSA-N 2 0 239.407 1.352 20 0 BDADRP CC1(C)CC[C@H](CN[C@H]2CCC[C@@H]2C[NH3+])[NH2+]C1 ZINC000873234444 590004377 /nfs/dbraw/zinc/00/43/77/590004377.db2.gz FEGALQJHUWAKPN-UPJWGTAASA-N 2 0 239.407 1.482 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000873239110 590005422 /nfs/dbraw/zinc/00/54/22/590005422.db2.gz OAJFOXFOEJKBGA-YDQFZURESA-N 2 0 236.359 1.127 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1F ZINC000873239618 590005667 /nfs/dbraw/zinc/00/56/67/590005667.db2.gz ZEQKNGMYUISLOH-NNYUYHANSA-N 2 0 214.328 1.984 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccnc(F)c1 ZINC000873241442 590005846 /nfs/dbraw/zinc/00/58/46/590005846.db2.gz HHSUYZGTNKGPFN-DTWKUNHWSA-N 2 0 211.284 1.436 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccnc(F)c2)C1 ZINC000873240571 590005983 /nfs/dbraw/zinc/00/59/83/590005983.db2.gz BMKWGQVYYGKKKN-GHMZBOCLSA-N 2 0 223.295 1.580 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCC[C@@H]1F ZINC000873239094 590006121 /nfs/dbraw/zinc/00/61/21/590006121.db2.gz NPUWUWNYYDTAOJ-GRYCIOLGSA-N 2 0 232.343 1.611 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCC12CCOCC2)C1C[NH2+]C1 ZINC000873249829 590007280 /nfs/dbraw/zinc/00/72/80/590007280.db2.gz CPWCZRMYMDOIPX-DGCLKSJQSA-N 2 0 238.375 1.391 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000873249118 590007418 /nfs/dbraw/zinc/00/74/18/590007418.db2.gz IUJHXAGNMZQQHD-WHOHXGKFSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873249843 590007808 /nfs/dbraw/zinc/00/78/08/590007808.db2.gz MUXBTGFGENATCX-REBRKWNGSA-N 3 0 247.386 1.272 20 0 BDADRP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873248682 590007846 /nfs/dbraw/zinc/00/78/46/590007846.db2.gz DNVQIZGQEFHXIB-FRRDWIJNSA-N 2 0 236.363 1.235 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000873249116 590007859 /nfs/dbraw/zinc/00/78/59/590007859.db2.gz IUJHXAGNMZQQHD-KXNHARMFSA-N 2 0 212.337 1.271 20 0 BDADRP CC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cnn(C)c1 ZINC000873254235 590009424 /nfs/dbraw/zinc/00/94/24/590009424.db2.gz OEYQELWVDJXUAG-ADEWGFFLSA-N 2 0 222.336 1.198 20 0 BDADRP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873254315 590009538 /nfs/dbraw/zinc/00/95/38/590009538.db2.gz QLZLJUMVWOFNBE-JFGNBEQYSA-N 2 0 234.347 1.124 20 0 BDADRP CC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCOC1 ZINC000873254295 590009872 /nfs/dbraw/zinc/00/98/72/590009872.db2.gz PWELUCBHHHCSFJ-WISYIIOYSA-N 2 0 212.337 1.128 20 0 BDADRP Cc1ncc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)c(C)n1 ZINC000873254640 590009985 /nfs/dbraw/zinc/00/99/85/590009985.db2.gz YWXMNPGZYHGKHK-KPXOXKRLSA-N 2 0 234.347 1.481 20 0 BDADRP CCCC[C@@H](COC)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873255140 590010121 /nfs/dbraw/zinc/01/01/21/590010121.db2.gz DTTBHMDDIVIUMR-SRVKXCTJSA-N 2 0 214.353 1.519 20 0 BDADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000873255338 590010283 /nfs/dbraw/zinc/01/02/83/590010283.db2.gz GKZVLXXSHXNQHM-OASPWFOLSA-N 2 0 208.349 1.892 20 0 BDADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000873255598 590010860 /nfs/dbraw/zinc/01/08/60/590010860.db2.gz ICBXMNGXYULHMX-DHGKCCLASA-N 3 0 237.391 1.234 20 0 BDADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000873256256 590011097 /nfs/dbraw/zinc/01/10/97/590011097.db2.gz NEVDETIFTZAXLQ-NUZBWSBOSA-N 3 0 231.343 1.458 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cccc(O)c1 ZINC000873258009 590012079 /nfs/dbraw/zinc/01/20/79/590012079.db2.gz WRDQLCKWRWSVBE-CKYFFXLPSA-N 2 0 220.316 1.780 20 0 BDADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CC[C@H]2C2CCC2)C1 ZINC000873258310 590013026 /nfs/dbraw/zinc/01/30/26/590013026.db2.gz QBSDGRAPSUMKCZ-BQUFFADESA-N 2 0 208.349 1.892 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCC[NH2+]1 ZINC000873260469 590013612 /nfs/dbraw/zinc/01/36/12/590013612.db2.gz AZNBMWQHCNGMJK-RGDJUOJXSA-N 3 0 237.391 1.247 20 0 BDADRP C[C@H]1CCNC[C@@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873261671 590013990 /nfs/dbraw/zinc/01/39/90/590013990.db2.gz QBXIYMFCFOCSGF-HPCHECBXSA-N 2 0 237.391 1.105 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)c1ccnn1C)C1CC[NH2+]CC1 ZINC000873269164 590015528 /nfs/dbraw/zinc/01/55/28/590015528.db2.gz MXRPDOOFOJUFJN-MNOVXSKESA-N 2 0 236.363 1.459 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]1C[NH3+])C1CC[NH2+]CC1 ZINC000873272479 590016062 /nfs/dbraw/zinc/01/60/62/590016062.db2.gz UCGHNTSLTYOEEI-CYZMBNFOSA-N 3 0 225.380 1.092 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1nccn1C ZINC000873271410 590016248 /nfs/dbraw/zinc/01/62/48/590016248.db2.gz HCCJTLASTHQANU-WDEREUQCSA-N 2 0 236.363 1.459 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCO[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000873272314 590016303 /nfs/dbraw/zinc/01/63/03/590016303.db2.gz RKFXUOIUTQSEEA-GMXVVIOVSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H]1C)C1CC[NH2+]CC1 ZINC000873270727 590016382 /nfs/dbraw/zinc/01/63/82/590016382.db2.gz AZKOAMVTIMPBQM-LSCVPOLPSA-N 2 0 226.364 1.530 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)c1ccn(C)n1)C1CC[NH2+]CC1 ZINC000873270030 590016403 /nfs/dbraw/zinc/01/64/03/590016403.db2.gz OEQZJXNQAHTCPU-MNOVXSKESA-N 2 0 236.363 1.459 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCC[C@@H]1CCOC1=O ZINC000873282255 590018569 /nfs/dbraw/zinc/01/85/69/590018569.db2.gz GODWUNFDTXEVNL-HBNTYKKESA-N 2 0 228.336 1.045 20 0 BDADRP C[C@H]([NH2+]CCC[C@H]1C=CCC1)C1C[NH2+]C1 ZINC000873281154 590018587 /nfs/dbraw/zinc/01/85/87/590018587.db2.gz GFXWQJVSFNLQCU-RYUDHWBXSA-N 2 0 208.349 1.930 20 0 BDADRP Nc1cc(F)cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000873290109 590023513 /nfs/dbraw/zinc/02/35/13/590023513.db2.gz OCGAIZVAZZFWEP-YPMHNXCESA-N 2 0 237.322 1.767 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000873297094 590025115 /nfs/dbraw/zinc/02/51/15/590025115.db2.gz RBZYTERIFSPTSB-YWPYICTPSA-N 2 0 247.386 1.416 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](CCC2OCCO2)C1 ZINC000124562929 590058731 /nfs/dbraw/zinc/05/87/31/590058731.db2.gz UJOLPGIESJWRFN-GFCCVEGCSA-N 2 0 242.363 1.023 20 0 BDADRP CC[C@@H](C)[C@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000020128537 590075783 /nfs/dbraw/zinc/07/57/83/590075783.db2.gz PVOQTUXBRLQJAV-KGLIPLIRSA-N 2 0 241.423 1.648 20 0 BDADRP C[C@@H]1CCCN1CC[NH2+]CC1=CCCOC1 ZINC000124788936 590085762 /nfs/dbraw/zinc/08/57/62/590085762.db2.gz AXSUBEBBKPNAAM-GFCCVEGCSA-N 2 0 224.348 1.407 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)Nc1cccc(C[NH3+])c1 ZINC000876505073 590204456 /nfs/dbraw/zinc/20/44/56/590204456.db2.gz JZZUZHZOAGSPDN-NWDGAFQWSA-N 2 0 247.342 1.457 20 0 BDADRP CC[C@H](C(=O)N(C)C1CCC([NH3+])CC1)[NH+](C)C ZINC000876540830 590212379 /nfs/dbraw/zinc/21/23/79/590212379.db2.gz NXRGFMWNEBABMD-HTAVTVPLSA-N 2 0 241.379 1.055 20 0 BDADRP C[NH+](C)CCCC[NH2+]Cc1ccc(Cl)nn1 ZINC000876988517 590265786 /nfs/dbraw/zinc/26/57/86/590265786.db2.gz FDFOHWZXWPJFDS-UHFFFAOYSA-N 2 0 242.754 1.561 20 0 BDADRP C[C@@H](C(=O)N(C)C[C@H](C)[NH3+])[C@@H]([NH3+])c1ccccc1 ZINC000877095714 590282167 /nfs/dbraw/zinc/28/21/67/590282167.db2.gz PKCBOPOKLKISIC-DMDPSCGWSA-N 2 0 249.358 1.128 20 0 BDADRP CC[NH2+]CC(=O)N1CC[C@@H](C[NH3+])c2ccccc21 ZINC000877427914 590325169 /nfs/dbraw/zinc/32/51/69/590325169.db2.gz CQIUFXTYCQIVGY-NSHDSACASA-N 2 0 247.342 1.075 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)N(C)CCCCCC[NH3+] ZINC000877437942 590328348 /nfs/dbraw/zinc/32/83/48/590328348.db2.gz CTBMEJNTOCASER-GFCCVEGCSA-N 2 0 243.395 1.352 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N(C)CCCCCC[NH3+] ZINC000877444152 590328838 /nfs/dbraw/zinc/32/88/38/590328838.db2.gz JPYNURQGDSDPGJ-ZDUSSCGKSA-N 2 0 243.395 1.481 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+]C2CSC2)CC1(C)C ZINC000877634388 590380223 /nfs/dbraw/zinc/38/02/23/590380223.db2.gz NZUHODVGUFEZCA-SECBINFHSA-N 2 0 214.378 1.564 20 0 BDADRP CCC[C@H](C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1)OC ZINC000877742893 590408476 /nfs/dbraw/zinc/40/84/76/590408476.db2.gz SCKPSIMGAVWZIX-MCIONIFRSA-N 2 0 240.391 1.828 20 0 BDADRP C(C1CC2(CCC2)C1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000877982310 590464731 /nfs/dbraw/zinc/46/47/31/590464731.db2.gz OXYPONIKKPNYLK-BETUJISGSA-N 2 0 220.360 1.718 20 0 BDADRP CO[C@H]1C[C@@H](C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000878162260 590511761 /nfs/dbraw/zinc/51/17/61/590511761.db2.gz CQCPQFCDAJBIKO-IGQOVBAYSA-N 2 0 240.391 1.826 20 0 BDADRP CC(C)C[N@H+](C[C@@H](C)O)CC1CC[NH+](C)CC1 ZINC000879703669 590852234 /nfs/dbraw/zinc/85/22/34/590852234.db2.gz SKGMYDNEMQMIGP-CYBMUJFWSA-N 2 0 242.407 1.667 20 0 BDADRP CN1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1(C)COC1 ZINC000880130033 590931314 /nfs/dbraw/zinc/93/13/14/590931314.db2.gz BSDAQRQNMLXTCM-VXGBXAGGSA-N 2 0 224.348 1.191 20 0 BDADRP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2Cc1cccnc1 ZINC000880131854 590934342 /nfs/dbraw/zinc/93/43/42/590934342.db2.gz KASMABALDIFZNC-KBPBESRZSA-N 2 0 231.343 1.750 20 0 BDADRP COCCC[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880261581 590979861 /nfs/dbraw/zinc/97/98/61/590979861.db2.gz XDIIAJRKJLAXCC-ZDUSSCGKSA-N 2 0 249.358 1.629 20 0 BDADRP CC[NH+](CC)[C@@H]1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000883423729 591659558 /nfs/dbraw/zinc/65/95/58/591659558.db2.gz TTXUWMIGYFNLSD-RWMBFGLXSA-N 2 0 243.370 1.103 20 0 BDADRP [NH3+]C[C@H](NC[C@@H]1C[C@H](F)C[NH2+]1)C1CCCCC1 ZINC000883429795 591659935 /nfs/dbraw/zinc/65/99/35/591659935.db2.gz FJZRCRYSWRKMRF-AVGNSLFASA-N 2 0 243.370 1.184 20 0 BDADRP C=C/C=C/CC[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000883436779 591666400 /nfs/dbraw/zinc/66/64/00/591666400.db2.gz AMXFECQMTDXBAL-HORCIZIBSA-N 2 0 206.333 1.932 20 0 BDADRP CC1(C)[C@H]([NH2+]Cc2ccc3c(c2)COC3)C[C@@H]1[NH3+] ZINC000883442678 591669418 /nfs/dbraw/zinc/66/94/18/591669418.db2.gz QFFNVEJYPXTOQT-UONOGXRCSA-N 2 0 246.354 1.932 20 0 BDADRP C[NH2+][C@@H](CC(C)C)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000884040899 591824010 /nfs/dbraw/zinc/82/40/10/591824010.db2.gz GTBGHXRYQVDBJO-NSHDSACASA-N 2 0 243.395 1.064 20 0 BDADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@@H](C)CCC[NH3+] ZINC000884296075 591897396 /nfs/dbraw/zinc/89/73/96/591897396.db2.gz NXZQLRJETHNSLC-QWRGUYRKSA-N 2 0 243.395 1.240 20 0 BDADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N(C)CC(C)(C)[NH3+] ZINC000884396372 591924716 /nfs/dbraw/zinc/92/47/16/591924716.db2.gz BCNIYBHVCWLVHQ-JTQLQIEISA-N 2 0 243.395 1.192 20 0 BDADRP C[NH2+][C@@H](CC(C)C)C(=O)NCC[C@H](C)[NH+](C)C ZINC000884401668 591925933 /nfs/dbraw/zinc/92/59/33/591925933.db2.gz XEEMVZWJJOBQMR-RYUDHWBXSA-N 2 0 243.395 1.077 20 0 BDADRP C(=C\C[N@@H+]1C[C@@H]2C[C@@H]2C1)\C[NH+]1C[C@@H]2C[C@@H]2C1 ZINC000886345197 592213095 /nfs/dbraw/zinc/21/30/95/592213095.db2.gz UNBVVPDDALPJSF-ZWTHYHLESA-N 2 0 218.344 1.446 20 0 BDADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCCC[NH+](C)C)C1 ZINC000886517985 592242627 /nfs/dbraw/zinc/24/26/27/592242627.db2.gz YVMFBZXIKIYMNF-VXGBXAGGSA-N 2 0 242.363 1.260 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H]2C[C@]23CCOC3)C1 ZINC000886827711 592351986 /nfs/dbraw/zinc/35/19/86/592351986.db2.gz QDPZCHJJXNODFX-IHRRRGAJSA-N 2 0 238.375 1.344 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@H]1C[C@]12CCOC2 ZINC000886830502 592352639 /nfs/dbraw/zinc/35/26/39/592352639.db2.gz RSBXBIAZUVOMSC-AGIUHOORSA-N 2 0 224.348 1.097 20 0 BDADRP [NH3+]C1(C[NH2+]CCSC(F)(F)F)CCC1 ZINC000886832282 592353621 /nfs/dbraw/zinc/35/36/21/592353621.db2.gz FLSFSBOTUAYNDU-UHFFFAOYSA-N 2 0 228.283 1.710 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](C[C@@H]2C[C@]23CCOC3)C1 ZINC000886838123 592355494 /nfs/dbraw/zinc/35/54/94/592355494.db2.gz RJJUCFFHOYPPKZ-XQQFMLRXSA-N 2 0 224.348 1.084 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H]2C[C@@]23CCOC3)CC[C@H]1[NH3+] ZINC000886837322 592358116 /nfs/dbraw/zinc/35/81/16/592358116.db2.gz FCYAUPCVXIOWLR-XJFOESAGSA-N 2 0 238.375 1.472 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@@H]1C[C@]12CCOC2 ZINC000886841112 592361517 /nfs/dbraw/zinc/36/15/17/592361517.db2.gz CGLUSNZSZLYWNO-NOHGZBONSA-N 2 0 224.348 1.128 20 0 BDADRP COCC[C@@H](C)[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886872231 592378102 /nfs/dbraw/zinc/37/81/02/592378102.db2.gz NDRCXIIROMPVGA-KGLIPLIRSA-N 2 0 240.391 1.877 20 0 BDADRP COC[C@@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887132860 592448685 /nfs/dbraw/zinc/44/86/85/592448685.db2.gz OTEFBLZVQZEAIV-CHWSQXEVSA-N 2 0 249.358 1.627 20 0 BDADRP CO[C@H](C)C[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887134459 592449551 /nfs/dbraw/zinc/44/95/51/592449551.db2.gz KAXHYOGAJARLKV-CHWSQXEVSA-N 2 0 249.358 1.627 20 0 BDADRP CC[NH+](CC)[C@H](C)CNC(=[NH2+])NCC(F)F ZINC000887348313 592484767 /nfs/dbraw/zinc/48/47/67/592484767.db2.gz DAUPDFNQYOJOSU-MRVPVSSYSA-N 2 0 236.310 1.096 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](CNC(=[NH2+])NCC(F)F)C1 ZINC000887351401 592485590 /nfs/dbraw/zinc/48/55/90/592485590.db2.gz OESXMJDZDGRWBZ-SECBINFHSA-N 2 0 248.321 1.096 20 0 BDADRP CC[C@@H]1C[N@H+](CCCCCCO)CC[C@H]1[NH3+] ZINC000300333965 592507095 /nfs/dbraw/zinc/50/70/95/592507095.db2.gz VCHLNCUGOOMGCH-CHWSQXEVSA-N 2 0 228.380 1.598 20 0 BDADRP C[C@@H]1C[N@H+](CCCCCC[NH3+])[C@@H](C)CO1 ZINC000223223014 592522412 /nfs/dbraw/zinc/52/24/12/592522412.db2.gz ZNXHJOOTSDQJRU-NWDGAFQWSA-N 2 0 214.353 1.615 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ncc[nH]1 ZINC000925705965 634389148 /nfs/dbraw/zinc/38/91/48/634389148.db2.gz JNVLOVIFQIEKLN-NXEZZACHSA-N 2 0 220.320 1.202 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H](c1ccccc1)[C@H](C)N ZINC000925710597 634407757 /nfs/dbraw/zinc/40/77/57/634407757.db2.gz QHLULAHMINSWSZ-DYEKYZERSA-N 2 0 235.375 1.792 20 0 BDADRP C[C@H]1[NH2+]CCC[C@H]1NCc1ccc(C[NH3+])cc1 ZINC000925712900 634416257 /nfs/dbraw/zinc/41/62/57/634416257.db2.gz QDLTZCXDUFZWOD-BXUZGUMPSA-N 2 0 233.359 1.375 20 0 BDADRP C[C@H](C[NH2+][C@H]1COCC1(C)C)C[NH+]1CCCC1 ZINC000313024112 634439666 /nfs/dbraw/zinc/43/96/66/634439666.db2.gz BQTNZSUUZZYGOW-OLZOCXBDSA-N 2 0 240.391 1.733 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H]2COCC2(C)C)C1 ZINC000313009964 634441928 /nfs/dbraw/zinc/44/19/28/634441928.db2.gz SZRFUBPNDZCFPW-STQMWFEESA-N 2 0 240.391 1.731 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2COCC2(C)C)C1 ZINC000313140428 634453894 /nfs/dbraw/zinc/45/38/94/634453894.db2.gz QKWPVRNTPZZPLO-VXGBXAGGSA-N 2 0 226.364 1.343 20 0 BDADRP C1CC2(C1)[NH2+]CC[C@H]2N[C@@H]1CC[NH2+]C12CCC2 ZINC000925723368 634470983 /nfs/dbraw/zinc/47/09/83/634470983.db2.gz QJEHILBALNXHFK-VXGBXAGGSA-N 2 0 235.375 1.145 20 0 BDADRP C[C@@H](c1ccccn1)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000257708509 634477949 /nfs/dbraw/zinc/47/79/49/634477949.db2.gz NEAXZHIDEMPHGG-RYUDHWBXSA-N 2 0 219.332 1.813 20 0 BDADRP C([C@@H]1CCCCO1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257731719 634485657 /nfs/dbraw/zinc/48/56/57/634485657.db2.gz XHAZDQVFOVRNOO-KBPBESRZSA-N 2 0 238.375 1.631 20 0 BDADRP Cc1cc(CN2CC[C@]3(C2)CCC[NH2+]C3)ncn1 ZINC000257729806 634487290 /nfs/dbraw/zinc/48/72/90/634487290.db2.gz XASATDCJXDXLHR-CQSZACIVSA-N 2 0 246.358 1.361 20 0 BDADRP C[C@@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)C1CC[NH2+]CC1 ZINC000925728253 634527875 /nfs/dbraw/zinc/52/78/75/634527875.db2.gz KFAALEJMKGBONB-RAIGVLPGSA-N 3 0 237.391 1.234 20 0 BDADRP C[C@H]1CC[N@H+](CC2CCOCC2)C[C@H]1C[NH3+] ZINC000253198900 634531732 /nfs/dbraw/zinc/53/17/32/634531732.db2.gz BBHURMWWUXPILH-WCQYABFASA-N 2 0 226.364 1.330 20 0 BDADRP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000310112118 634539615 /nfs/dbraw/zinc/53/96/15/634539615.db2.gz ATLNQEFCEUBUQM-KWCYVHTRSA-N 2 0 238.375 1.628 20 0 BDADRP CC(C)([NH3+])CC[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000925737147 634591075 /nfs/dbraw/zinc/59/10/75/634591075.db2.gz GKIVFCSGKGTOBZ-SNVBAGLBSA-N 2 0 222.336 1.504 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CC[C@H]2CCCO2)C1 ZINC000925776616 635256523 /nfs/dbraw/zinc/25/65/23/635256523.db2.gz YVIHUZFQQRTMJU-SDDRHHMPSA-N 2 0 212.337 1.415 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]1[C@@H]1C[C@H]1C ZINC000925824178 635412721 /nfs/dbraw/zinc/41/27/21/635412721.db2.gz QUPSSHFSMKJHKT-VTAXGKEESA-N 2 0 238.375 1.373 20 0 BDADRP COC1(C[N@@H+]2CCC[C@H](C[NH3+])C2)CCCC1 ZINC000319191609 635501412 /nfs/dbraw/zinc/50/14/12/635501412.db2.gz OSIUJWBHIQQZHY-GFCCVEGCSA-N 2 0 226.364 1.616 20 0 BDADRP [NH3+][C@@H]1C[C@H](NC[C@]23CCC[C@H]2[NH2+]CC3)C12CCC2 ZINC000925838664 635501778 /nfs/dbraw/zinc/50/17/78/635501778.db2.gz NODKMKZUKOZBQV-YIYPIFLZSA-N 2 0 249.402 1.378 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)[C@@H](C)O1 ZINC000925841807 635506923 /nfs/dbraw/zinc/50/69/23/635506923.db2.gz SWPHYNABLDVINQ-RKQHYHRCSA-N 2 0 238.375 1.674 20 0 BDADRP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)[C@@H]1CCOC1 ZINC000925843715 635511102 /nfs/dbraw/zinc/51/11/02/635511102.db2.gz OKIRWWKFLLIFMH-AAVRWANBSA-N 2 0 238.375 1.533 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000925858152 635549165 /nfs/dbraw/zinc/54/91/65/635549165.db2.gz OAEJBALZOAGRDB-TUAOUCFPSA-N 2 0 214.353 1.397 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCS[C@@H](C)C1 ZINC000925857782 635550078 /nfs/dbraw/zinc/55/00/78/635550078.db2.gz INZKTYFHNQECRX-XWLWVQCSSA-N 2 0 216.394 1.986 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@]2(C)CCCOC2)CC1 ZINC000234315217 635552002 /nfs/dbraw/zinc/55/20/02/635552002.db2.gz ZIQNAOCNWLBOEX-ZDUSSCGKSA-N 2 0 226.364 1.487 20 0 BDADRP Cn1nc(C2CC2)cc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000925873643 635593494 /nfs/dbraw/zinc/59/34/94/635593494.db2.gz LOOHKFRGIBOHNH-NWDGAFQWSA-N 2 0 248.374 1.657 20 0 BDADRP COC[C@H](C[NH2+][C@@H]1CCC[NH2+]CC1)C(C)C ZINC000925873675 635593566 /nfs/dbraw/zinc/59/35/66/635593566.db2.gz MKGIOHGYUZOLPG-QWHCGFSZSA-N 2 0 228.380 1.637 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C1(C)C ZINC000925875685 635598202 /nfs/dbraw/zinc/59/82/02/635598202.db2.gz LZZCCCXAAQMGFV-VOAKCMCISA-N 2 0 240.391 1.907 20 0 BDADRP CC(C)[N@H+](C)CCNC(=O)CCCCCC[NH3+] ZINC000054133545 635609885 /nfs/dbraw/zinc/60/98/85/635609885.db2.gz NGDDJQPYIKMCIW-UHFFFAOYSA-N 2 0 243.395 1.352 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](C/C=C/Cl)CC1 ZINC000082474968 631404828 /nfs/dbraw/zinc/40/48/28/631404828.db2.gz BLFRYMJAYWTYSO-MAHOQKISSA-N 2 0 202.729 1.798 20 0 BDADRP CCCC[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000308726497 631554514 /nfs/dbraw/zinc/55/45/14/631554514.db2.gz LTRJLBFAPWELSB-LBPRGKRZSA-N 2 0 214.353 1.175 20 0 BDADRP CSC1(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000235095243 631978161 /nfs/dbraw/zinc/97/81/61/631978161.db2.gz UINDATKQXOYQQP-VHSXEESVSA-N 2 0 214.378 1.599 20 0 BDADRP CCCNC(=[NH2+])NCC1CC[NH+](CC)CC1 ZINC000052044409 632051487 /nfs/dbraw/zinc/05/14/87/632051487.db2.gz XOXBPFGVFUFINS-UHFFFAOYSA-N 2 0 226.368 1.242 20 0 BDADRP CC(C)CNC(=[NH2+])NCC1CC[NH+](C)CC1 ZINC000052044663 632051673 /nfs/dbraw/zinc/05/16/73/632051673.db2.gz PJDSNBXEOGSRTR-UHFFFAOYSA-N 2 0 226.368 1.098 20 0 BDADRP CC(C)NC(=[NH2+])NCC[NH+]1CCC(C)CC1 ZINC000052043179 632054629 /nfs/dbraw/zinc/05/46/29/632054629.db2.gz BDKBHNWZICJFOM-UHFFFAOYSA-N 2 0 226.368 1.241 20 0 BDADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)C3CC3)CC[C@H]21 ZINC000250558182 635699122 /nfs/dbraw/zinc/69/91/22/635699122.db2.gz BRYMXAAMAAUUIW-MCIONIFRSA-N 2 0 238.375 1.173 20 0 BDADRP O[C@H](CC1CCCC1)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000232148658 632126918 /nfs/dbraw/zinc/12/69/18/632126918.db2.gz XGNGCFXZDFTOEX-HZSPNIEDSA-N 2 0 238.375 1.079 20 0 BDADRP CCOC[C@H](C)[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000250572982 632543365 /nfs/dbraw/zinc/54/33/65/632543365.db2.gz WRWXRZGVAVHTIC-DCAQKATOSA-N 2 0 200.326 1.128 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])CCCS1 ZINC000250791485 632545724 /nfs/dbraw/zinc/54/57/24/632545724.db2.gz JIXMTYUDMHKPPU-QJPTWQEYSA-N 2 0 228.405 1.989 20 0 BDADRP COC[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000081066143 632626821 /nfs/dbraw/zinc/62/68/21/632626821.db2.gz LQJPUJSOSAMYRN-QWHCGFSZSA-N 2 0 226.364 1.344 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000089145848 632657181 /nfs/dbraw/zinc/65/71/81/632657181.db2.gz RZKYPVJEDZUUPK-KGLIPLIRSA-N 3 0 239.407 1.435 20 0 BDADRP CC[NH+](CC)CCNC(=[NH2+])NCC(C)C ZINC000052040804 632779530 /nfs/dbraw/zinc/77/95/30/632779530.db2.gz MEFUNSNRHFRNQH-UHFFFAOYSA-N 2 0 214.357 1.098 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](CCc2cccs2)C1 ZINC000235707319 632818514 /nfs/dbraw/zinc/81/85/14/632818514.db2.gz RKMORSVJYPDIEO-GFCCVEGCSA-N 2 0 224.373 1.961 20 0 BDADRP C[NH+](C)[C@@H]1CCCN(c2cc[nH+]cc2CO)C1 ZINC000126527924 635849464 /nfs/dbraw/zinc/84/94/64/635849464.db2.gz QTEQHSLUWISYHM-GFCCVEGCSA-N 2 0 235.331 1.104 20 0 BDADRP [NH3+]CCC1CC[NH+](CCCCCCO)CC1 ZINC000236243187 632903548 /nfs/dbraw/zinc/90/35/48/632903548.db2.gz LISHVJFOAFYJFS-UHFFFAOYSA-N 2 0 228.380 1.600 20 0 BDADRP Cc1cc(N)nc(N(C)C[C@@H]2CCC[N@H+](C)C2)[nH+]1 ZINC000892554815 632966423 /nfs/dbraw/zinc/96/64/23/632966423.db2.gz MURWLMOQOJXDIS-LLVKDONJSA-N 2 0 249.362 1.145 20 0 BDADRP CO[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)C[NH+](C)C ZINC000309375207 632990059 /nfs/dbraw/zinc/99/00/59/632990059.db2.gz QCVALUVNSIINJO-NWDGAFQWSA-N 2 0 228.380 1.731 20 0 BDADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)C[C@H]1CCCO1 ZINC000249962895 633013432 /nfs/dbraw/zinc/01/34/32/633013432.db2.gz DQRRMQIZWMGART-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP CC[N@H+](C)C[C@H]1CCN(c2cc[nH+]cc2CO)C1 ZINC000892730802 633205467 /nfs/dbraw/zinc/20/54/67/633205467.db2.gz KKIYIHBAAXWVFZ-GFCCVEGCSA-N 2 0 249.358 1.352 20 0 BDADRP C[NH+]1CCC(C[NH2+]C2CSC2)CC1 ZINC000306439582 635966703 /nfs/dbraw/zinc/96/67/03/635966703.db2.gz JUSFDCKCZRAVFU-UHFFFAOYSA-N 2 0 200.351 1.033 20 0 BDADRP C[C@H]1[C@H](CO)CCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000894939428 636010537 /nfs/dbraw/zinc/01/05/37/636010537.db2.gz KOCNALOUFCNCJE-JSGCOSHPSA-N 2 0 240.391 1.421 20 0 BDADRP CCCC[C@@](C)(CO)[NH2+]CC1CC[NH+](C)CC1 ZINC000895110100 636060115 /nfs/dbraw/zinc/06/01/15/636060115.db2.gz ZOTMTKREQQNARG-AWEZNQCLSA-N 2 0 242.407 1.859 20 0 BDADRP C[C@@H]1CCC[C@]1(O)C[NH2+]CC1CC[NH+](C)CC1 ZINC000328135571 633733933 /nfs/dbraw/zinc/73/39/33/633733933.db2.gz XYTUCGGFGCMXCL-OCCSQVGLSA-N 2 0 240.391 1.469 20 0 BDADRP FCCCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328239999 633747173 /nfs/dbraw/zinc/74/71/73/633747173.db2.gz AYHBMGUDNCWYOB-KKJSVHSVSA-N 2 0 212.312 1.322 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328411300 633763184 /nfs/dbraw/zinc/76/31/84/633763184.db2.gz HEHJAURSEPYXBF-QQKNPXLJSA-N 2 0 238.375 1.124 20 0 BDADRP CCC[C@H](C)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328423287 633763722 /nfs/dbraw/zinc/76/37/22/633763722.db2.gz KQBNTMHDPNSVPN-RJRAAQABSA-N 2 0 208.349 1.761 20 0 BDADRP C(CC1CC1)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328456801 633767226 /nfs/dbraw/zinc/76/72/26/633767226.db2.gz RRHQFOAVOUSYEJ-NWBUJAPZSA-N 2 0 206.333 1.373 20 0 BDADRP C1[NH2+][C@@H]2[C@H]([NH2+]C3CCCCC3)[C@H]3C[C@@H]1[C@@H]2C3 ZINC000328567241 633776790 /nfs/dbraw/zinc/77/67/90/633776790.db2.gz NPTOLLLSTXDAIL-KYYPQDQFSA-N 2 0 220.360 1.905 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)[C@@H]1CCOC1 ZINC000925516314 633867481 /nfs/dbraw/zinc/86/74/81/633867481.db2.gz KRXFPFZYACZJJV-UMSGYPCISA-N 2 0 240.391 1.907 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1NCCC[NH+]1CCCCC1 ZINC000925521568 633885787 /nfs/dbraw/zinc/88/57/87/633885787.db2.gz VYJSSWNDHQYBGL-ZDUSSCGKSA-N 2 0 239.407 1.593 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)COC(C)C)C1 ZINC000309955506 633978734 /nfs/dbraw/zinc/97/87/34/633978734.db2.gz IBIHXAOATKLVJS-STQMWFEESA-N 2 0 228.380 1.731 20 0 BDADRP [NH3+][C@@H]1C[C@H](N[C@H]2CC[N@H+](CC3CC3)C2)C12CCC2 ZINC000925555171 634023133 /nfs/dbraw/zinc/02/31/33/634023133.db2.gz FRPPXAHRGHPNDL-MJBXVCDLSA-N 2 0 249.402 1.330 20 0 BDADRP CC[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000309982834 634025640 /nfs/dbraw/zinc/02/56/40/634025640.db2.gz ADCSSJBCUMGZCA-KGLIPLIRSA-N 2 0 240.391 1.565 20 0 BDADRP C[C@H]([NH3+])[C@@H](NC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000925563042 634045129 /nfs/dbraw/zinc/04/51/29/634045129.db2.gz AACJZCUQYCLISH-AEGPPILISA-N 2 0 247.386 1.759 20 0 BDADRP CC(C)CC[C@H](CO)[NH2+]CC1CC[NH+](C)CC1 ZINC000895585314 636161565 /nfs/dbraw/zinc/16/15/65/636161565.db2.gz PLNRXKHKTXTADK-CQSZACIVSA-N 2 0 242.407 1.715 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CN[C@H]1CC[NH2+]C12CCCC2 ZINC000925565756 634059793 /nfs/dbraw/zinc/05/97/93/634059793.db2.gz XSXYQKCQQUIVHM-OLZOCXBDSA-N 2 0 237.391 1.345 20 0 BDADRP Cc1n[nH]cc1C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925580859 634086258 /nfs/dbraw/zinc/08/62/58/634086258.db2.gz OJXOEQMRHNDLDX-RYUDHWBXSA-N 2 0 236.363 1.714 20 0 BDADRP C[C@H](CCO)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925611577 634150244 /nfs/dbraw/zinc/15/02/44/634150244.db2.gz MZEUQAYLEZGANK-MRVWCRGKSA-N 2 0 240.391 1.515 20 0 BDADRP CC[C@H](CO)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925612466 634150503 /nfs/dbraw/zinc/15/05/03/634150503.db2.gz RUSAAYMNRXITPX-GMTAPVOTSA-N 2 0 214.353 1.253 20 0 BDADRP CCC[N@@H+]1CC[C@H](CN[C@H]2CC[NH2+]C2(C)C)C1 ZINC000925613444 634151973 /nfs/dbraw/zinc/15/19/73/634151973.db2.gz RBVSTKSDFLMGSQ-OLZOCXBDSA-N 2 0 239.407 1.448 20 0 BDADRP CC1(C)C[C@@H]([NH2+][C@H]2CCOC2)C[C@@H]([NH3+])C1 ZINC000925620517 634177946 /nfs/dbraw/zinc/17/79/46/634177946.db2.gz BKOWGCCPACUHHF-VWYCJHECSA-N 2 0 212.337 1.271 20 0 BDADRP CN(C[C@@H]1CCC[N@@H+]1C)C[C@]1(C)CCC[NH2+]C1 ZINC000092633415 634198744 /nfs/dbraw/zinc/19/87/44/634198744.db2.gz JWXFMNCSCJZUAF-UONOGXRCSA-N 2 0 239.407 1.402 20 0 BDADRP CN1CCC[C@@H]1C[N@H+](C)CCCCCCC[NH3+] ZINC000092633378 634199787 /nfs/dbraw/zinc/19/97/87/634199787.db2.gz RGFRIVPQOYXXPD-CQSZACIVSA-N 2 0 241.423 1.922 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925662396 634229120 /nfs/dbraw/zinc/22/91/20/634229120.db2.gz HQNHLSRXUFJWFN-UPJWGTAASA-N 2 0 239.407 1.576 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925677643 634269604 /nfs/dbraw/zinc/26/96/04/634269604.db2.gz XJUFBGFNSQCPIC-WISYIIOYSA-N 2 0 228.380 1.905 20 0 BDADRP [NH3+]C1(CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CCCCC1 ZINC000925688287 634305397 /nfs/dbraw/zinc/30/53/97/634305397.db2.gz CQXXDVVJMHTEAT-YHQUGGNUSA-N 2 0 249.402 1.234 20 0 BDADRP CC[NH2+]CCCN[C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925689836 634308690 /nfs/dbraw/zinc/30/86/90/634308690.db2.gz ISTSMJQIBITGIH-TZMCWYRMSA-N 2 0 235.375 1.664 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]C[C@H]2CCCC[C@@H]2O)C12CCC2 ZINC000925690606 634313951 /nfs/dbraw/zinc/31/39/51/634313951.db2.gz KPXRNNGFPZOIHF-VOAKCMCISA-N 2 0 238.375 1.397 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[C@@H]2O)C12CCC2 ZINC000925690609 634314219 /nfs/dbraw/zinc/31/42/19/634314219.db2.gz KPXRNNGFPZOIHF-YVECIDJPSA-N 2 0 238.375 1.397 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000925692339 634322491 /nfs/dbraw/zinc/32/24/91/634322491.db2.gz JOXXSYMSPJLTIS-XVZUFCMUSA-N 2 0 236.359 1.140 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925694814 634340018 /nfs/dbraw/zinc/34/00/18/634340018.db2.gz UBVQODNBISQWHQ-BNOWGMLFSA-N 2 0 235.375 1.648 20 0 BDADRP [NH3+][C@H](CN[C@H]1C[C@@H]([NH3+])C12CCC2)c1ccccc1 ZINC000925695253 634345982 /nfs/dbraw/zinc/34/59/82/634345982.db2.gz VAMFOZOGTJZLHK-MCIONIFRSA-N 2 0 245.370 1.546 20 0 BDADRP C[C@H]([NH3+])[C@@H](N[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000925695957 634352362 /nfs/dbraw/zinc/35/23/62/634352362.db2.gz YWYRFVNKMFOMKA-WCFLWFBJSA-N 2 0 219.332 1.026 20 0 BDADRP [NH3+]CCC[C@H](NC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000925695764 634354516 /nfs/dbraw/zinc/35/45/16/634354516.db2.gz WUOTZRJXZLOLLV-CABCVRRESA-N 2 0 247.386 1.808 20 0 BDADRP CC1(C)[C@H](NC[C@@H]([NH3+])C2CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925697009 634357315 /nfs/dbraw/zinc/35/73/15/634357315.db2.gz CVPHQMBTTLZQCW-FVCCEPFGSA-N 2 0 237.391 1.090 20 0 BDADRP CC1(C)C[C@@H](NC[C@@H]2CC[NH2+]C2)C[C@@H]([NH3+])C1 ZINC000925698196 634362717 /nfs/dbraw/zinc/36/27/17/634362717.db2.gz JJUFPDBWUHLAKX-UTUOFQBUSA-N 2 0 225.380 1.092 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925697993 634362827 /nfs/dbraw/zinc/36/28/27/634362827.db2.gz BSGBBRGRXHBLMI-UTUOFQBUSA-N 3 0 225.380 1.363 20 0 BDADRP C[C@H]([NH3+])[C@H](N[C@H]1CCC[NH2+][C@@H]1C)c1ccccc1 ZINC000925698862 634365021 /nfs/dbraw/zinc/36/50/21/634365021.db2.gz HLJQGWVIBIWXKZ-NEBZKDRISA-N 2 0 247.386 1.805 20 0 BDADRP C[C@H]([NH3+])c1ccc(CN[C@@H]2CCC[NH2+][C@H]2C)cc1 ZINC000925699480 634366186 /nfs/dbraw/zinc/36/61/86/634366186.db2.gz PCHRRLTVCPBGKR-SLEUVZQESA-N 2 0 247.386 1.936 20 0 BDADRP CC(C)([NH3+])CN[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925699363 634366947 /nfs/dbraw/zinc/36/69/47/634366947.db2.gz OHZKAOZUIPMKDV-UWVGGRQHSA-N 2 0 213.369 1.219 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1CCC[NH2+]CC1)[NH2+]2 ZINC000925699258 634367021 /nfs/dbraw/zinc/36/70/21/634367021.db2.gz JRICZIUBGQLBKF-HTOAHKCRSA-N 2 0 237.391 1.247 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@@H]1CCC[NH2+]CC1)[NH2+]2 ZINC000925699260 634367057 /nfs/dbraw/zinc/36/70/57/634367057.db2.gz JRICZIUBGQLBKF-RGDJUOJXSA-N 2 0 237.391 1.247 20 0 BDADRP C[C@@H]([NH3+])[C@H](N[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000925699170 634367134 /nfs/dbraw/zinc/36/71/34/634367134.db2.gz NJUMBLDPBFECGZ-XBFCOCLRSA-N 2 0 233.359 1.417 20 0 BDADRP [NH3+]C1(CN[C@@H]2CC[NH2+]C23CCCC3)CCC1 ZINC000925699759 634367857 /nfs/dbraw/zinc/36/78/57/634367857.db2.gz QISFYZFVNGXNEA-LLVKDONJSA-N 2 0 223.364 1.132 20 0 BDADRP C[C@H]([NH3+])[C@H](NC[C@H]([NH3+])C1CC1)c1ccccc1 ZINC000925700009 634368691 /nfs/dbraw/zinc/36/86/91/634368691.db2.gz QXCCXROWOCXKLL-BPNCWPANSA-N 2 0 233.359 1.402 20 0 BDADRP CC1(C)C[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)C[C@@H]([NH3+])C1 ZINC000925700227 634370101 /nfs/dbraw/zinc/37/01/01/634370101.db2.gz NVVFQLCPDCOBOY-UPJWGTAASA-N 3 0 239.407 1.624 20 0 BDADRP [NH3+][C@@H]1C[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)C12CCC2 ZINC000925700525 634370631 /nfs/dbraw/zinc/37/06/31/634370631.db2.gz QZJRVJZNOKLZLN-KXNHARMFSA-N 2 0 223.364 1.116 20 0 BDADRP CO[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925701792 634376678 /nfs/dbraw/zinc/37/66/78/634376678.db2.gz FTSVTDKEGDEKLF-NDBYEHHHSA-N 2 0 238.375 1.804 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cc(N)ccn1 ZINC000925767877 635186040 /nfs/dbraw/zinc/18/60/40/635186040.db2.gz QUFHLRIZVYGDAD-SNVBAGLBSA-N 2 0 222.336 1.271 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000925771553 635208614 /nfs/dbraw/zinc/20/86/14/635208614.db2.gz BYGBWAWGYZDHDE-RWMBFGLXSA-N 2 0 238.375 1.663 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925778104 635261686 /nfs/dbraw/zinc/26/16/86/635261686.db2.gz RJGQAIFXAHEMDP-VWYCJHECSA-N 2 0 248.317 1.246 20 0 BDADRP CC[C@@H]([NH2+]CCN1CCC([NH3+])CC1)C1CC1 ZINC000925815992 635383387 /nfs/dbraw/zinc/38/33/87/635383387.db2.gz VNZJEKVSLAZFLP-CYBMUJFWSA-N 2 0 225.380 1.188 20 0 BDADRP CCC[C@@H](O)CC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000925856774 635547902 /nfs/dbraw/zinc/54/79/02/635547902.db2.gz LBEMFUQCQLBLAQ-VXGBXAGGSA-N 2 0 214.353 1.269 20 0 BDADRP Cn1nc(C2CC2)cc1C[NH2+]C1CCC([NH3+])CC1 ZINC000925873196 635591790 /nfs/dbraw/zinc/59/17/90/635591790.db2.gz GBDIOYQUIXFUST-UHFFFAOYSA-N 2 0 248.374 1.657 20 0 BDADRP C(C[NH2+]C1CC1)C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000126163124 635663816 /nfs/dbraw/zinc/66/38/16/635663816.db2.gz MUXKWILSYUJOHU-TXEJJXNPSA-N 2 0 208.349 1.860 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+]CC2CC[NH+](C)CC2)C1 ZINC000054242795 636240539 /nfs/dbraw/zinc/24/05/39/636240539.db2.gz CYEHGKGZCKPKMN-CQSZACIVSA-N 3 0 239.407 1.260 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CN1C[C@@H]1CC2(CCC2)CO1 ZINC000872145799 636573054 /nfs/dbraw/zinc/57/30/54/636573054.db2.gz ZCIXUCYABRCTGM-WOPDTQHZSA-N 2 0 224.348 1.367 20 0 BDADRP CC(C)CNC(=[NH2+])NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000052042175 636669722 /nfs/dbraw/zinc/66/97/22/636669722.db2.gz MOBUMPMRIMQJCU-NSHDSACASA-N 2 0 238.379 1.241 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2[C@@H](C)COC[C@H]2C)C1 ZINC000924705749 637013776 /nfs/dbraw/zinc/01/37/76/637013776.db2.gz MIJRMOABVUSCGC-RQJABVFESA-N 2 0 240.391 1.589 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+]C2[C@@H](C)COC[C@@H]2C)C1 ZINC000924705750 637013840 /nfs/dbraw/zinc/01/38/40/637013840.db2.gz MIJRMOABVUSCGC-RWMBFGLXSA-N 2 0 240.391 1.589 20 0 BDADRP C[NH+](C)CC1CCN(CC[NH2+]C(C)(C)C)CC1 ZINC000042396280 637229364 /nfs/dbraw/zinc/22/93/64/637229364.db2.gz GBSGDXHLVQLWQN-UHFFFAOYSA-N 2 0 241.423 1.648 20 0 BDADRP [NH3+]CCCCCCN1CC[NH+](CC2CC2)CC1 ZINC000042491264 637273746 /nfs/dbraw/zinc/27/37/46/637273746.db2.gz VAGORPPDNOMFLR-UHFFFAOYSA-N 2 0 239.407 1.533 20 0 BDADRP C[C@@H](CCO)C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902362497 637299505 /nfs/dbraw/zinc/29/95/05/637299505.db2.gz XLTPAPHUTICIDN-NWDGAFQWSA-N 2 0 228.380 1.373 20 0 BDADRP CC(C)[C@H](C)[N@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903722254 637378567 /nfs/dbraw/zinc/37/85/67/637378567.db2.gz JQIMQDAYDAXIOC-MJBXVCDLSA-N 2 0 240.391 1.731 20 0 BDADRP OC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCCC[NH2+]C1 ZINC000903722476 637380493 /nfs/dbraw/zinc/38/04/93/637380493.db2.gz BFJJXKXKFUWALB-ICIURTGMSA-N 2 0 238.375 1.364 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CCCC[NH2+]C2)CC[C@@H]1C[NH3+] ZINC000903789451 637383626 /nfs/dbraw/zinc/38/36/26/637383626.db2.gz XIQYUJPLCIVBQN-HZSPNIEDSA-N 3 0 239.407 1.293 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+]Cc2cncc(O)c2)CC[NH2+]1 ZINC000904433316 637400469 /nfs/dbraw/zinc/40/04/69/637400469.db2.gz LFCORPMGYCAMFA-GHMZBOCLSA-N 2 0 235.331 1.265 20 0 BDADRP [NH3+][C@H](CC(F)F)CN1CC[C@]2(C1)CCCC[NH2+]2 ZINC000904430970 637400799 /nfs/dbraw/zinc/40/07/99/637400799.db2.gz VDOSIKOORRRFQA-PWSUYJOCSA-N 2 0 247.333 1.187 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+][C@H]2C[NH2+]CC2(C)C)CCO1 ZINC000904461275 637404197 /nfs/dbraw/zinc/40/41/97/637404197.db2.gz GXTNVEQTAQBBFQ-UPJWGTAASA-N 2 0 240.391 1.779 20 0 BDADRP CC1(C)C[NH2+]C[C@@H]1[NH2+]C[C@@H]1CCSC1 ZINC000904462200 637407173 /nfs/dbraw/zinc/40/71/73/637407173.db2.gz OJCIZCCZPRHESH-UWVGGRQHSA-N 2 0 214.378 1.327 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+]C2([C@@H]3CCCCO3)CC2)C1 ZINC000904445127 637412519 /nfs/dbraw/zinc/41/25/19/637412519.db2.gz WDUQBKSUXVDCKC-TUAOUCFPSA-N 2 0 224.348 1.415 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CNCC1([NH3+])CC1 ZINC000904444883 637414157 /nfs/dbraw/zinc/41/41/57/637414157.db2.gz UWTIZJVJEQTXQC-SNVBAGLBSA-N 2 0 213.369 1.221 20 0 BDADRP CC(C)([NH3+])c1ccc(NC[C@]23C[C@H]2C[NH2+]C3)cc1 ZINC000904474402 637425694 /nfs/dbraw/zinc/42/56/94/637425694.db2.gz FEUXJKAJFHFKGU-SWLSCSKDSA-N 2 0 245.370 1.902 20 0 BDADRP [NH3+]Cc1ccccc1NC[C@H]1C[C@@H]([NH3+])C1 ZINC000904486704 637427941 /nfs/dbraw/zinc/42/79/41/637427941.db2.gz YATSNOXOCTWFGN-JGZJWPJOSA-N 2 0 205.305 1.295 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000904938042 637535064 /nfs/dbraw/zinc/53/50/64/637535064.db2.gz GKJXNQXUKPEPMQ-NTZNESFSSA-N 2 0 241.379 1.090 20 0 BDADRP CC1(C)C[NH2+]C[C@H]1c1nc(C2([NH3+])CCC2)no1 ZINC000905303516 637763109 /nfs/dbraw/zinc/76/31/09/637763109.db2.gz BXKKQMTWAOUDJY-QMMMGPOBSA-N 2 0 236.319 1.121 20 0 BDADRP CCC(N)=[NH+]OCC[C@@H]1CCCC[N@@H+]1C ZINC000906498383 638174331 /nfs/dbraw/zinc/17/43/31/638174331.db2.gz ABVIYYFSFCQERK-JTQLQIEISA-N 2 0 213.325 1.769 20 0 BDADRP Cc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)c(C)c1 ZINC000906507822 638179851 /nfs/dbraw/zinc/17/98/51/638179851.db2.gz DTFHPTQKOJIUFC-JOCQHMNTSA-N 2 0 204.317 1.883 20 0 BDADRP [NH3+]C1CC([NH2+]C/C=C/c2ccc(F)cc2)C1 ZINC000906509294 638181979 /nfs/dbraw/zinc/18/19/79/638181979.db2.gz GHJZVQTVBFPMEK-OWOJBTEDSA-N 2 0 220.291 1.918 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1C[C@H]([NH3+])C1 ZINC000906517538 638186818 /nfs/dbraw/zinc/18/68/18/638186818.db2.gz GHRPOHNJCQIUEL-FVCCEPFGSA-N 2 0 225.380 1.377 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]C2Cc3ccccc3C2)C1 ZINC000906517772 638188102 /nfs/dbraw/zinc/18/81/02/638188102.db2.gz PWLKBOHZLREPRI-AULYBMBSSA-N 2 0 202.301 1.233 20 0 BDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H]1C[C@H]([NH3+])C1 ZINC000906517537 638188221 /nfs/dbraw/zinc/18/82/21/638188221.db2.gz GHRPOHNJCQIUEL-FDYHWXHSSA-N 2 0 225.380 1.377 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]CCCCOc2ccccc2)C1 ZINC000906519333 638189249 /nfs/dbraw/zinc/18/92/49/638189249.db2.gz YPEWSRFCQNHKFH-JOCQHMNTSA-N 2 0 234.343 1.925 20 0 BDADRP Fc1cccc([C@@H]2C[C@@H]2[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000906584542 638219927 /nfs/dbraw/zinc/21/99/27/638219927.db2.gz PHXVZAUUSLJBMI-UXOAXIEHSA-N 2 0 246.329 1.833 20 0 BDADRP C[NH2+]CCCCC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000911684058 639721901 /nfs/dbraw/zinc/72/19/01/639721901.db2.gz LEGDTPFGSFKQNY-VXGBXAGGSA-N 2 0 241.379 1.104 20 0 BDADRP CC(C)C[C@@H]([NH3+])CC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000911713442 639739778 /nfs/dbraw/zinc/73/97/78/639739778.db2.gz ICTLMSLROVVJES-NEPJUHHUSA-N 2 0 241.379 1.008 20 0 BDADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)NC1(C[NH3+])CCCC1 ZINC000911800844 639821836 /nfs/dbraw/zinc/82/18/36/639821836.db2.gz VETQVHGGAFGPFX-WDEREUQCSA-N 2 0 241.379 1.138 20 0 BDADRP CCC(CC)(C[NH3+])NC(=O)[C@@H]1CC[NH2+][C@H](C)C1 ZINC000911800773 639821929 /nfs/dbraw/zinc/82/19/29/639821929.db2.gz YSFCDIIBSPTVNO-GHMZBOCLSA-N 2 0 241.379 1.008 20 0 BDADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)CC(C)(C)C[NH3+] ZINC000911828625 639841805 /nfs/dbraw/zinc/84/18/05/639841805.db2.gz BCQMGOFAEWHVSI-ZDUSSCGKSA-N 2 0 243.395 1.241 20 0 BDADRP CC[C@@H](C)C[C@H]([NH3+])C(=O)NCC([NH3+])(CC)CC ZINC000911858467 639862029 /nfs/dbraw/zinc/86/20/29/639862029.db2.gz RODQQBQFAAZCHC-MNOVXSKESA-N 2 0 243.395 1.384 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])C[C@H](C)CC ZINC000911881403 639866972 /nfs/dbraw/zinc/86/69/72/639866972.db2.gz QXQKOOSLAAHFTP-UTUOFQBUSA-N 2 0 243.395 1.384 20 0 BDADRP C[C@@H](CNC1CC[NH+](C)CC1)[NH+]1CCCCC1 ZINC000038028295 711481419 /nfs/dbraw/zinc/48/14/19/711481419.db2.gz KQKBXBUEXULMMY-ZDUSSCGKSA-N 2 0 239.407 1.545 20 0 BDADRP C[N@@H+]1CC[C@@H]2CN(CC[NH+]3CCCC3)CC[C@@H]21 ZINC000931548268 640266806 /nfs/dbraw/zinc/26/68/06/640266806.db2.gz XIRXQWCKUWKYHG-KGLIPLIRSA-N 2 0 237.391 1.108 20 0 BDADRP CC[C@@H](CO)[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000931700591 640325480 /nfs/dbraw/zinc/32/54/80/640325480.db2.gz QKKJVCBHOIGKNJ-LBPRGKRZSA-N 2 0 226.364 1.318 20 0 BDADRP C[C@H]1OCC[C@H]1C[N@@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000931717858 640335361 /nfs/dbraw/zinc/33/53/61/640335361.db2.gz DYTLSECSQDBEBE-RQJABVFESA-N 2 0 238.375 1.580 20 0 BDADRP CN1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@@H]1CCCOC1 ZINC000931724887 640340192 /nfs/dbraw/zinc/34/01/92/640340192.db2.gz KFJSNLUOBBHNSW-MELADBBJSA-N 2 0 238.375 1.582 20 0 BDADRP C[NH+]1CCC(C[NH2+]C[C@H]2CCCCO2)CC1 ZINC000044518004 640399051 /nfs/dbraw/zinc/39/90/51/640399051.db2.gz WZYVLKLJKGHEBR-CYBMUJFWSA-N 2 0 226.364 1.487 20 0 BDADRP CC(C)[NH+]1CCN(C(=O)CCCCC[NH3+])CC1 ZINC000036190019 640402352 /nfs/dbraw/zinc/40/23/52/640402352.db2.gz LNVZSJYTINBTMF-UHFFFAOYSA-N 2 0 241.379 1.058 20 0 BDADRP C[C@H](CO)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000157297287 640661545 /nfs/dbraw/zinc/66/15/45/640661545.db2.gz UHWHQDPSACDLKS-ZHAHWJHGSA-N 2 0 206.289 1.102 20 0 BDADRP CN(CC[C@H]1CCC[N@@H+]1C)Cc1cccc(=O)[nH]1 ZINC000933398911 640712803 /nfs/dbraw/zinc/71/28/03/640712803.db2.gz NYTGBZHTDGEYKP-CYBMUJFWSA-N 2 0 249.358 1.703 20 0 BDADRP CO[C@H]1CC[C@@H]([N@@H+]2C[C@@H]3CN(C)C[C@]3(C)C2)C1 ZINC000933734493 640753553 /nfs/dbraw/zinc/75/35/53/640753553.db2.gz UGGXATAVBLLIHV-RFQIPJPRSA-N 2 0 238.375 1.437 20 0 BDADRP C[N@@H+]1C[C@@H]2C[NH+](CC3CC(F)(F)C3)C[C@]2(C)C1 ZINC000933732880 640754259 /nfs/dbraw/zinc/75/42/59/640754259.db2.gz DATFVKJADMQRLR-NEPJUHHUSA-N 2 0 244.329 1.915 20 0 BDADRP CSCC[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933736178 640756049 /nfs/dbraw/zinc/75/60/49/640756049.db2.gz RMXAJKUSJUENRT-WDEREUQCSA-N 2 0 214.378 1.233 20 0 BDADRP C(C[C@H]1CCCO1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000226829574 640800186 /nfs/dbraw/zinc/80/01/86/640800186.db2.gz XSNCLKOMIIAARE-MGPQQGTHSA-N 2 0 238.375 1.772 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000227073083 640815309 /nfs/dbraw/zinc/81/53/09/640815309.db2.gz VRLUZAMIMVJPDT-CYDGBPFRSA-N 2 0 226.364 1.255 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC000227212008 640821111 /nfs/dbraw/zinc/82/11/11/640821111.db2.gz RCJMYMRMARDSKV-MRVWCRGKSA-N 2 0 234.343 1.389 20 0 BDADRP CS[C@H](C)C[NH2+]CC1CC[NH+](C)CC1 ZINC000169099152 640841438 /nfs/dbraw/zinc/84/14/38/640841438.db2.gz ZTLATBZRGXLULU-SNVBAGLBSA-N 2 0 216.394 1.669 20 0 BDADRP CC(C)(CCO)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000227909200 640853470 /nfs/dbraw/zinc/85/34/70/640853470.db2.gz PUBRMDGCJPRNHF-NWDGAFQWSA-N 2 0 228.380 1.502 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCCCCCO)C[C@@H]21 ZINC000230048655 641011926 /nfs/dbraw/zinc/01/19/26/641011926.db2.gz NAGTYEZEGSWHHS-MELADBBJSA-N 2 0 240.391 1.598 20 0 BDADRP CSC[C@](C)(O)C[NH2+]CC1CC[NH+](C)CC1 ZINC000230151189 641031882 /nfs/dbraw/zinc/03/18/82/641031882.db2.gz MWGPSJXAUPAFPJ-GFCCVEGCSA-N 2 0 246.420 1.032 20 0 BDADRP CO[C@@H]1CC[C@H]1[N@H+](C)CCC[NH+]1CCCCC1 ZINC000934119610 641082509 /nfs/dbraw/zinc/08/25/09/641082509.db2.gz XSUPHLNALRFLKJ-ZIAGYGMSSA-N 2 0 240.391 1.972 20 0 BDADRP C[NH+](C)C1CCN(C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000062862102 641100414 /nfs/dbraw/zinc/10/04/14/641100414.db2.gz RMBXIAPVVDNSQM-CQSZACIVSA-N 2 0 239.407 1.402 20 0 BDADRP CN(Cc1cccnc1)C[C@]1(C)CCC[NH2+]C1 ZINC000062862042 641101478 /nfs/dbraw/zinc/10/14/78/641101478.db2.gz IOIUNMVJZORWGV-CQSZACIVSA-N 2 0 233.359 1.903 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@H](CO)c2ccccc2)CC1 ZINC000063000512 641117670 /nfs/dbraw/zinc/11/76/70/641117670.db2.gz HIBFBANYTUNNOV-OAHLLOKOSA-N 2 0 248.370 1.651 20 0 BDADRP C[N@H+](CCCCCO)CC1CC[NH+](C)CC1 ZINC000063121330 641134518 /nfs/dbraw/zinc/13/45/18/641134518.db2.gz ACAZSKMFTAKEMK-UHFFFAOYSA-N 2 0 228.380 1.423 20 0 BDADRP CCCC[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000057621407 641145067 /nfs/dbraw/zinc/14/50/67/641145067.db2.gz KDCJGZTYFDOXAL-UHFFFAOYSA-N 2 0 239.407 1.500 20 0 BDADRP C[C@@H]1CC[C@@H](C[N@@H+]2CC[C@@H](CC[NH3+])C2)O1 ZINC000232047989 641232771 /nfs/dbraw/zinc/23/27/71/641232771.db2.gz DFADWCSFRGRWNB-UTUOFQBUSA-N 2 0 212.337 1.225 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000232148405 641250538 /nfs/dbraw/zinc/25/05/38/641250538.db2.gz JMZAMOFSPQOQHK-KBPBESRZSA-N 2 0 240.391 1.598 20 0 BDADRP COC/C(C)=C/C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000929698912 641405994 /nfs/dbraw/zinc/40/59/94/641405994.db2.gz BXLMPCPKKIIWLX-WTWVRAIASA-N 2 0 240.391 1.853 20 0 BDADRP Cn1cc(C[N@H+](C)CCCCCCC[NH3+])cn1 ZINC000042489414 641554565 /nfs/dbraw/zinc/55/45/65/641554565.db2.gz YGVBRUIEJXSHSJ-UHFFFAOYSA-N 2 0 238.379 1.761 20 0 BDADRP CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000723122566 711506114 /nfs/dbraw/zinc/50/61/14/711506114.db2.gz QSQFDQZFABLETF-QNWHQSFQSA-N 2 0 210.365 1.949 20 0 BDADRP CC(C)OCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000158927415 641658521 /nfs/dbraw/zinc/65/85/21/641658521.db2.gz PYCRPELDNVZWJL-WDEREUQCSA-N 2 0 200.326 1.128 20 0 BDADRP C[N@H+](Cc1cccc2c1CC[NH2+]C2)[C@H]1CCOC1 ZINC000124012679 642428007 /nfs/dbraw/zinc/42/80/07/642428007.db2.gz UKAGUQOKVALELL-AWEZNQCLSA-N 2 0 246.354 1.553 20 0 BDADRP CC[C@@H]([NH3+])C(=O)NCC[NH2+]C1CCCCCC1 ZINC000129088073 642454972 /nfs/dbraw/zinc/45/49/72/642454972.db2.gz WAXMIPWXQFZZDW-GFCCVEGCSA-N 2 0 241.379 1.152 20 0 BDADRP CC(C)C[C@@H](C[NH+](C)C)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000093214401 642458342 /nfs/dbraw/zinc/45/83/42/642458342.db2.gz PSQJLECAXLHYHP-MJBXVCDLSA-N 2 0 241.423 1.822 20 0 BDADRP CC[NH+](CC)CCCNC[C@@H]1CCC[NH2+]1 ZINC000233454875 642670531 /nfs/dbraw/zinc/67/05/31/642670531.db2.gz HJFMPPAWCYWQSF-LBPRGKRZSA-N 2 0 213.369 1.060 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C1(C)C ZINC000233784511 642693517 /nfs/dbraw/zinc/69/35/17/642693517.db2.gz AYZMRVANWWFAPP-YNEHKIRRSA-N 2 0 240.391 1.779 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]CC2([NH3+])CCC2)C1(C)C ZINC000233782992 642694586 /nfs/dbraw/zinc/69/45/86/642694586.db2.gz HEWGKXKIYRYGRK-GHMZBOCLSA-N 2 0 226.364 1.661 20 0 BDADRP COCC1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000069633112 642887490 /nfs/dbraw/zinc/88/74/90/642887490.db2.gz ITJOITXTBAAVKF-YPMHNXCESA-N 2 0 226.364 1.200 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000070499605 643029549 /nfs/dbraw/zinc/02/95/49/643029549.db2.gz FDYMIDLQPHHAME-ZDUSSCGKSA-N 2 0 230.355 1.956 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000070499604 643030552 /nfs/dbraw/zinc/03/05/52/643030552.db2.gz FDYMIDLQPHHAME-CYBMUJFWSA-N 2 0 230.355 1.956 20 0 BDADRP CC[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000020439598 643062992 /nfs/dbraw/zinc/06/29/92/643062992.db2.gz VDRVTQSTDNVUJX-UHFFFAOYSA-N 2 0 218.344 1.999 20 0 BDADRP C[C@@H](CC[NH+](C)C)NC(=O)CC[NH2+]C(C)(C)C ZINC000049559698 643087166 /nfs/dbraw/zinc/08/71/66/643087166.db2.gz DGCWESONRPEJQH-NSHDSACASA-N 2 0 243.395 1.221 20 0 BDADRP COCC[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000071563554 643154525 /nfs/dbraw/zinc/15/45/25/643154525.db2.gz BAGXEAIXOAYBCA-UHFFFAOYSA-N 2 0 248.370 1.625 20 0 BDADRP C[C@@H](C[NH3+])N(C)C(=O)CC1(C[NH3+])CCCCC1 ZINC000184132440 643193406 /nfs/dbraw/zinc/19/34/06/643193406.db2.gz HOBPAYDCTWLWTC-NSHDSACASA-N 2 0 241.379 1.091 20 0 BDADRP c1n[nH]cc1C1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420323739 643290766 /nfs/dbraw/zinc/29/07/66/643290766.db2.gz USOMNPWDZKZIIY-LBPRGKRZSA-N 2 0 248.374 1.589 20 0 BDADRP C[N@@H+]1CCN(C[C@@H]2CCC[NH2+]C2)CC1(C)C ZINC000082483736 643321207 /nfs/dbraw/zinc/32/12/07/643321207.db2.gz GEJIUTIDKQXZGU-GFCCVEGCSA-N 2 0 225.380 1.012 20 0 BDADRP CCOCC[N@H+](CC)C[C@]1(C)CCC[NH2+]C1 ZINC000082538597 643339677 /nfs/dbraw/zinc/33/96/77/643339677.db2.gz KQYFYVFSAKYFOC-CYBMUJFWSA-N 2 0 228.380 1.735 20 0 BDADRP Cc1ncsc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000082560934 643513254 /nfs/dbraw/zinc/51/32/54/643513254.db2.gz VBJRXJAAJVNWJN-SCZZXKLOSA-N 2 0 225.361 1.397 20 0 BDADRP [NH3+]C[C@@H]1C[N@H+](C/C=C\Cl)CC12CCOCC2 ZINC000846220382 643649265 /nfs/dbraw/zinc/64/92/65/643649265.db2.gz HUYARHJZOYJBBJ-PNDGHQIGSA-N 2 0 244.766 1.426 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCC(F)(F)F ZINC000084221743 643649994 /nfs/dbraw/zinc/64/99/94/643649994.db2.gz OHOBDVDHXPMXTQ-HTQZYQBOSA-N 2 0 210.243 1.656 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccccn1 ZINC000084215625 643650536 /nfs/dbraw/zinc/65/05/36/643650536.db2.gz ZRLBCFWHDNBUSD-DGCLKSJQSA-N 2 0 219.332 1.689 20 0 BDADRP COC(=O)c1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000050245057 643656421 /nfs/dbraw/zinc/65/64/21/643656421.db2.gz FAXYTJXQXFCFJC-GFCCVEGCSA-N 2 0 248.326 1.254 20 0 BDADRP CCN1CCC[C@H]1C[NH2+]C[C@@H]1CCC=CO1 ZINC000050267407 643670611 /nfs/dbraw/zinc/67/06/11/643670611.db2.gz JDQNPNMQBNOEQX-STQMWFEESA-N 2 0 224.348 1.753 20 0 BDADRP C[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCCO1 ZINC000085015783 643678595 /nfs/dbraw/zinc/67/85/95/643678595.db2.gz AQDORIHVMQGPNZ-TUAOUCFPSA-N 2 0 212.337 1.225 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1nccs1 ZINC000085016158 643680085 /nfs/dbraw/zinc/68/00/85/643680085.db2.gz JDVYBYDDFMSCQG-BBBLOLIVSA-N 2 0 225.361 1.921 20 0 BDADRP C[N@H+](CCCC[NH2+]Cc1cc[nH]c(=O)c1)C1CC1 ZINC000922172410 643889753 /nfs/dbraw/zinc/88/97/53/643889753.db2.gz TWJMIXYQUGWLEE-UHFFFAOYSA-N 2 0 249.358 1.751 20 0 BDADRP C[C@@H](CC[NH2+]Cc1cc[nH]c(=O)c1)[NH+](C)C ZINC000922255918 643926264 /nfs/dbraw/zinc/92/62/64/643926264.db2.gz YUWRBBMPBWPHFF-JTQLQIEISA-N 2 0 223.320 1.217 20 0 BDADRP CCCC[C@@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000086206458 643952274 /nfs/dbraw/zinc/95/22/74/643952274.db2.gz HSNDIHLUGWJRJY-GFCCVEGCSA-N 2 0 227.396 1.578 20 0 BDADRP CCC[C@@H](O)CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000922819515 644108443 /nfs/dbraw/zinc/10/84/43/644108443.db2.gz XXYNZIAHLGYDSN-CHWSQXEVSA-N 2 0 242.407 2.000 20 0 BDADRP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]C1CCC([NH3+])CC1 ZINC000086496126 644142914 /nfs/dbraw/zinc/14/29/14/644142914.db2.gz GUCHPOYAFVGROZ-YWPUVAFDSA-N 3 0 225.380 1.377 20 0 BDADRP C(C[NH+]1CCSCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000086573163 644151588 /nfs/dbraw/zinc/15/15/88/644151588.db2.gz FMKABPQSJAYTTK-YHWZYXNKSA-N 2 0 240.416 1.956 20 0 BDADRP C[C@@H]([NH3+])CCC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000193319490 644234002 /nfs/dbraw/zinc/23/40/02/644234002.db2.gz YUWMLXNZUKUUMY-MNOVXSKESA-N 2 0 243.395 1.206 20 0 BDADRP C[N@H+](C[C@@H]1CCC[NH+](C)C1)C[C@@H]1CCC=CO1 ZINC000193722988 644275682 /nfs/dbraw/zinc/27/56/82/644275682.db2.gz STIUSWUQRMWNKH-KGLIPLIRSA-N 2 0 238.375 1.953 20 0 BDADRP CCOCCOCC[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000923284018 644309350 /nfs/dbraw/zinc/30/93/50/644309350.db2.gz GWYPONIAGHRXDP-GFCCVEGCSA-N 2 0 244.379 1.099 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC000923281608 644315573 /nfs/dbraw/zinc/31/55/73/644315573.db2.gz QGCMHXWGKKCCHC-GJZGRUSLSA-N 2 0 248.370 1.261 20 0 BDADRP Cc1ccc([C@H](O)C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000923286842 644319465 /nfs/dbraw/zinc/31/94/65/644319465.db2.gz ARGXGGDRKJTYEO-AEGPPILISA-N 2 0 248.370 1.698 20 0 BDADRP C[C@@H]1C[C@H](C)C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923300253 644325892 /nfs/dbraw/zinc/32/58/92/644325892.db2.gz PEKPPKVIIJJLHL-FRRDWIJNSA-N 2 0 238.375 1.343 20 0 BDADRP C[C@H](C[NH3+])N(C)C[C@H](O)CCc1ccccc1 ZINC000923292496 644328891 /nfs/dbraw/zinc/32/88/91/644328891.db2.gz YPFUPNAZEXKBTL-TZMCWYRMSA-N 2 0 236.359 1.259 20 0 BDADRP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@@H](O)CC(F)(F)F ZINC000923295406 644332874 /nfs/dbraw/zinc/33/28/74/644332874.db2.gz ABJHZULQALOIDT-IUCAKERBSA-N 2 0 242.285 1.263 20 0 BDADRP CC(C)OCC[C@@H](O)C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000923297066 644335046 /nfs/dbraw/zinc/33/50/46/644335046.db2.gz XJZVKTRPDDXQBE-OLZOCXBDSA-N 2 0 246.395 1.125 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)[C@@H]1C ZINC000923314232 644339950 /nfs/dbraw/zinc/33/99/50/644339950.db2.gz DVVBLJKXLDDVOO-UTUOFQBUSA-N 2 0 224.348 1.095 20 0 BDADRP CC(C)C[C@@H]1CC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923313576 644340601 /nfs/dbraw/zinc/34/06/01/644340601.db2.gz WIKWDLJDVBFREB-CYDGBPFRSA-N 2 0 226.364 1.205 20 0 BDADRP CCC1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923308674 644340880 /nfs/dbraw/zinc/34/08/80/644340880.db2.gz DUHKNYXSQYXGSA-CYBMUJFWSA-N 2 0 238.375 1.487 20 0 BDADRP CC(C)[C@@H](C)[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923306128 644340997 /nfs/dbraw/zinc/34/09/97/644340997.db2.gz QOZOTKLCPXFPMJ-VXGBXAGGSA-N 2 0 226.364 1.341 20 0 BDADRP CC[C@@H]1C[C@H](C)C[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923314600 644342253 /nfs/dbraw/zinc/34/22/53/644342253.db2.gz BGDKWBOFJONQDX-YNEHKIRRSA-N 2 0 238.375 1.485 20 0 BDADRP C(C[NH2+]C1CC1)C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000923305182 644342316 /nfs/dbraw/zinc/34/23/16/644342316.db2.gz VBGINPCFZCGEQL-GFCCVEGCSA-N 2 0 238.375 1.629 20 0 BDADRP CC[C@@H]1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923318264 644343808 /nfs/dbraw/zinc/34/38/08/644343808.db2.gz YKVMPFNQKGPOKX-VOAKCMCISA-N 2 0 226.364 1.349 20 0 BDADRP CC[C@@H](C)C[N@H+](CC)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923315151 644343940 /nfs/dbraw/zinc/34/39/40/644343940.db2.gz QDXMDRMYKDYCQH-OLZOCXBDSA-N 2 0 240.391 1.733 20 0 BDADRP CC[C@]1(C)CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923316606 644344474 /nfs/dbraw/zinc/34/44/74/644344474.db2.gz PLUCYOFRKZHKJA-ZDEQEGDKSA-N 2 0 226.364 1.349 20 0 BDADRP CN(CCC[NH2+]C1CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000923322823 644351359 /nfs/dbraw/zinc/35/13/59/644351359.db2.gz ABGQPRGLXWOQNU-CQSZACIVSA-N 2 0 237.391 1.297 20 0 BDADRP CCCCCC[C@H](O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000923333860 644355676 /nfs/dbraw/zinc/35/56/76/644355676.db2.gz YMHSPJZXRXWRQT-IHRRRGAJSA-N 2 0 242.407 1.987 20 0 BDADRP CCOCCOCC[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000923334686 644357139 /nfs/dbraw/zinc/35/71/39/644357139.db2.gz JJMFUYHWIOGVEM-CYBMUJFWSA-N 2 0 244.379 1.113 20 0 BDADRP CC1([NH3+])CC[NH+](C[C@@H](O)Cc2ccccc2)CC1 ZINC000923345078 644364760 /nfs/dbraw/zinc/36/47/60/644364760.db2.gz HZAAFDIBLSHYQL-AWEZNQCLSA-N 2 0 248.370 1.403 20 0 BDADRP c1csc(CC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000082303815 644367057 /nfs/dbraw/zinc/36/70/57/644367057.db2.gz IXCOFQANGUOLFT-QWRGUYRKSA-N 2 0 222.357 1.442 20 0 BDADRP C[C@@H](O)C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000923352266 644369509 /nfs/dbraw/zinc/36/95/09/644369509.db2.gz CLGFVTNOJQAYNU-LLVKDONJSA-N 2 0 214.353 1.208 20 0 BDADRP CCCCCC[C@@H](O)C[N@H+](C)C1CC([NH3+])C1 ZINC000923360559 644384831 /nfs/dbraw/zinc/38/48/31/644384831.db2.gz CINQHGFOVXEDOK-WXRRBKDZSA-N 2 0 228.380 1.739 20 0 BDADRP [NH3+]C[C@H](NCCC[NH2+]C1CC1)C1CCCCC1 ZINC000923372914 644389347 /nfs/dbraw/zinc/38/93/47/644389347.db2.gz KJQUADCOOVHNHJ-AWEZNQCLSA-N 2 0 239.407 1.626 20 0 BDADRP [NH3+][C@H]1Cc2ccccc2N(CCC[NH2+]C2CC2)C1 ZINC000923379546 644392349 /nfs/dbraw/zinc/39/23/49/644392349.db2.gz KAYNJOREYSOCRK-ZDUSSCGKSA-N 2 0 245.370 1.519 20 0 BDADRP C[C@@H]1CCN(CCC[NH2+]C2CC2)[C@H](C[NH3+])C1 ZINC000923391240 644396546 /nfs/dbraw/zinc/39/65/46/644396546.db2.gz XLZXLFHGHVWXDC-YPMHNXCESA-N 2 0 225.380 1.188 20 0 BDADRP Cc1ccc2c(c1)C[N@H+]([C@H]1C[C@H]([NH3+])C[C@@H]1O)CC2 ZINC000923386255 644399659 /nfs/dbraw/zinc/39/96/59/644399659.db2.gz LQXQOKSWSUAOJB-KKUMJFAQSA-N 2 0 246.354 1.204 20 0 BDADRP C[N@H+](CCC[NH2+]C1CC1)CCCn1ccnc1 ZINC000923389136 644403343 /nfs/dbraw/zinc/40/33/43/644403343.db2.gz TVXCEENWLOPNEH-UHFFFAOYSA-N 2 0 236.363 1.347 20 0 BDADRP CC(C)CC[C@H](O)C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000923410394 644410869 /nfs/dbraw/zinc/41/08/69/644410869.db2.gz GLKWHALVTNFDBQ-XQQFMLRXSA-N 2 0 228.380 1.310 20 0 BDADRP CCCCCC[C@H](O)C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000923409924 644411348 /nfs/dbraw/zinc/41/13/48/644411348.db2.gz CMDRKZOVJRQHRE-MJBXVCDLSA-N 2 0 242.407 1.844 20 0 BDADRP CC(C)CC[C@H](O)C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000923410391 644412659 /nfs/dbraw/zinc/41/26/59/644412659.db2.gz GLKWHALVTNFDBQ-AGIUHOORSA-N 2 0 228.380 1.310 20 0 BDADRP C[C@H](CNC(=O)CC(C)(C)[NH3+])[NH+]1CCCCC1 ZINC000084182909 644420456 /nfs/dbraw/zinc/42/04/56/644420456.db2.gz RDFYKTCLWGKKLI-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CC(C)(C)O1 ZINC000084385591 644423209 /nfs/dbraw/zinc/42/32/09/644423209.db2.gz LRWULZNGZSAONH-NEPJUHHUSA-N 2 0 226.364 1.485 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000923483535 644460330 /nfs/dbraw/zinc/46/03/30/644460330.db2.gz BQSOALZRIBUBBG-CHWSQXEVSA-N 3 0 225.380 1.047 20 0 BDADRP CCOC(=O)[C@H](CC)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923496347 644461520 /nfs/dbraw/zinc/46/15/20/644461520.db2.gz HMVDQEBVHKXWBM-UTUOFQBUSA-N 2 0 242.363 1.245 20 0 BDADRP CC(C)OC(=O)CC[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923496219 644463791 /nfs/dbraw/zinc/46/37/91/644463791.db2.gz GUFFTDNJEAYKLN-VXGBXAGGSA-N 2 0 242.363 1.245 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCCO2)CC[C@H]1C[NH3+] ZINC000923489847 644465637 /nfs/dbraw/zinc/46/56/37/644465637.db2.gz MECNTGHIISYAEK-AGIUHOORSA-N 2 0 226.364 1.472 20 0 BDADRP COCC[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923496909 644470048 /nfs/dbraw/zinc/47/00/48/644470048.db2.gz KEYGXZMTUHTESP-WOPDTQHZSA-N 2 0 214.353 1.328 20 0 BDADRP CCC(O)(CC)C[NH2+]C1CCC([NH3+])CC1 ZINC000086730616 644470500 /nfs/dbraw/zinc/47/05/00/644470500.db2.gz PFBBVMJETXUZSX-UHFFFAOYSA-N 2 0 214.353 1.397 20 0 BDADRP C[C@@H]1C[N@H+](CCc2ccns2)CC[C@H]1C[NH3+] ZINC000923494066 644470558 /nfs/dbraw/zinc/47/05/58/644470558.db2.gz VNXDWOFOAZOSRN-MNOVXSKESA-N 2 0 239.388 1.602 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1C[NH3+] ZINC000923499460 644473532 /nfs/dbraw/zinc/47/35/32/644473532.db2.gz KZHAQRZULDTPCC-NWDGAFQWSA-N 2 0 219.332 1.498 20 0 BDADRP CC(C)(C)[C@@H]1C[C@H]1[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516007 644479669 /nfs/dbraw/zinc/47/96/69/644479669.db2.gz QMWMCXSQZOMNCN-UMSGYPCISA-N 2 0 222.376 1.962 20 0 BDADRP OC[C@@H]1CCCCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000923530974 644487501 /nfs/dbraw/zinc/48/75/01/644487501.db2.gz OCRJQFXBUPEATQ-STQMWFEESA-N 2 0 226.364 1.223 20 0 BDADRP C(C[N@@H+]1CCOC[C@H]1CC1CC1)[C@@H]1CC[NH2+]C1 ZINC000923555237 644497472 /nfs/dbraw/zinc/49/74/72/644497472.db2.gz RXHLRUFMQVJSNM-UONOGXRCSA-N 2 0 238.375 1.487 20 0 BDADRP [NH3+]CC[C@@H]1CN(C[C@H]2CC[NH2+]C2)c2ccccc21 ZINC000923554547 644498525 /nfs/dbraw/zinc/49/85/25/644498525.db2.gz JHESGKNMVDVSOZ-QWHCGFSZSA-N 2 0 245.370 1.549 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)CC[NH2+]1 ZINC000415140428 644886530 /nfs/dbraw/zinc/88/65/30/644886530.db2.gz NJCHDMBXKWQWLR-MCIONIFRSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C[C@H]1C[NH3+] ZINC000253193468 644942809 /nfs/dbraw/zinc/94/28/09/644942809.db2.gz OQJWCQZFKBXCLG-BPLDGKMQSA-N 2 0 248.370 1.637 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)CCCCCC[NH3+] ZINC000834362084 645138618 /nfs/dbraw/zinc/13/86/18/645138618.db2.gz ZXDMPAKQOQZDNS-NEPJUHHUSA-N 2 0 241.379 1.091 20 0 BDADRP C[C@@H]1CC2(C[N@@H+]1C[C@@H]1CCC[NH2+]1)CCOCC2 ZINC000843129587 645266629 /nfs/dbraw/zinc/26/66/29/645266629.db2.gz WURDGWOKZNGHJN-OLZOCXBDSA-N 2 0 238.375 1.629 20 0 BDADRP Cn1ccnc1[C@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000843389749 645287952 /nfs/dbraw/zinc/28/79/52/645287952.db2.gz QHQPPPPIPXAHRJ-STQMWFEESA-N 2 0 248.374 1.209 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H]2CCCOC2)C1 ZINC000925485432 645317987 /nfs/dbraw/zinc/31/79/87/645317987.db2.gz MXRZTCOJAXSDDS-YNEHKIRRSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@H]([NH2+]CC[C@@]1(C)C[C@]1(F)Cl)C1C[NH2+]C1 ZINC000844926636 645350297 /nfs/dbraw/zinc/35/02/97/645350297.db2.gz ZWOHHPCNPFDODU-INTQDDNPSA-N 2 0 234.746 1.889 20 0 BDADRP CN1CC[C@@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925487287 645463831 /nfs/dbraw/zinc/46/38/31/645463831.db2.gz MQDOYUCVQSQIAN-HUUCEWRRSA-N 2 0 247.386 1.760 20 0 BDADRP C[N@H+](CCCCCC[NH3+])CC(C)(C)[NH3+] ZINC000852753689 645488333 /nfs/dbraw/zinc/48/83/33/645488333.db2.gz GLDHKMCRSTVABB-UHFFFAOYSA-N 3 0 201.358 1.175 20 0 BDADRP CCO[C@H](C[NH2+][C@@H]1COC(C)(C)C1)CN(C)C ZINC000926959582 645502261 /nfs/dbraw/zinc/50/22/61/645502261.db2.gz JUCSJFDQBSMSCE-NWDGAFQWSA-N 2 0 244.379 1.110 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000927028069 645525853 /nfs/dbraw/zinc/52/58/53/645525853.db2.gz PGYZEJCJQVCGKL-JSGCOSHPSA-N 2 0 242.407 1.857 20 0 BDADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000884371921 645874260 /nfs/dbraw/zinc/87/42/60/645874260.db2.gz BRBSKTCCPMHNGI-HBNTYKKESA-N 2 0 243.395 1.238 20 0 BDADRP COCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925500792 645943312 /nfs/dbraw/zinc/94/33/12/645943312.db2.gz FJBJJGWWXKGGRD-OLZOCXBDSA-N 2 0 226.364 1.391 20 0 BDADRP C[NH+](C)CCCN[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000924538491 646057772 /nfs/dbraw/zinc/05/77/72/646057772.db2.gz BAECESZWQYRNFE-UONOGXRCSA-N 2 0 239.407 1.545 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)C(C)(C)CO ZINC000924646261 646084783 /nfs/dbraw/zinc/08/47/83/646084783.db2.gz DLJAONOMSQBHLR-NEPJUHHUSA-N 2 0 240.391 1.467 20 0 BDADRP CC(C)CC[NH+]1CCC([NH2+][C@H](C)CCO)CC1 ZINC000925099708 646184248 /nfs/dbraw/zinc/18/42/48/646184248.db2.gz GMVIADGJUSKOMK-CYBMUJFWSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2C[NH+]3C[C@@H]2CCC3)CC[N@@H+]1C ZINC000925140512 646193613 /nfs/dbraw/zinc/19/36/13/646193613.db2.gz JTZOTRJTSATMCK-XJFOESAGSA-N 2 0 237.391 1.153 20 0 BDADRP CC[NH+]1CCC(CC[NH2+][C@H]2COC[C@H]2C)CC1 ZINC000925153657 646195529 /nfs/dbraw/zinc/19/55/29/646195529.db2.gz ZKZYAHOPADBFNE-OCCSQVGLSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H](CN[C@@H]1CC[NH2+]C1(C)C)C[NH+]1CCCC1 ZINC000925481078 646291140 /nfs/dbraw/zinc/29/11/40/646291140.db2.gz OFYHCBGUJNVMTM-CHWSQXEVSA-N 2 0 239.407 1.448 20 0 BDADRP CC[N@@H+]1CC[C@@H](CN[C@H]2CC[NH2+]C23CCC3)C1 ZINC000925478634 646292188 /nfs/dbraw/zinc/29/21/88/646292188.db2.gz VPEKHIXGOHNODF-STQMWFEESA-N 2 0 237.391 1.202 20 0 BDADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000723627481 711527526 /nfs/dbraw/zinc/52/75/26/711527526.db2.gz DHUJGRSSICSTKM-IEECTRCBSA-N 2 0 226.364 1.517 20 0 BDADRP C1CC1[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925492827 646299674 /nfs/dbraw/zinc/29/96/74/646299674.db2.gz IIYQQHLOCHWNMW-OLZOCXBDSA-N 2 0 208.349 1.907 20 0 BDADRP CC[NH+](CC)CCN[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925501496 646303411 /nfs/dbraw/zinc/30/34/11/646303411.db2.gz ICBRBRMEQIWSNA-STQMWFEESA-N 2 0 241.423 1.824 20 0 BDADRP CC[NH+](CC)CCN[C@@H]1CC[NH2+]C1(C)C ZINC000925500481 646303711 /nfs/dbraw/zinc/30/37/11/646303711.db2.gz CVRKMFZIMVINQT-LLVKDONJSA-N 2 0 213.369 1.058 20 0 BDADRP C[C@H](O)CC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925499620 646304424 /nfs/dbraw/zinc/30/44/24/646304424.db2.gz RLZMDCBZYXVGCF-FPMFFAJLSA-N 2 0 240.391 1.515 20 0 BDADRP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](CC)CO)C1 ZINC000929777108 646304928 /nfs/dbraw/zinc/30/49/28/646304928.db2.gz AIENVEDEIDPKKG-OLZOCXBDSA-N 2 0 228.380 1.421 20 0 BDADRP CSCC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925504193 646305804 /nfs/dbraw/zinc/30/58/04/646305804.db2.gz KWEMDHVEBCRUPF-UWVGGRQHSA-N 2 0 216.394 1.845 20 0 BDADRP CC(C)OCCC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925506903 646307726 /nfs/dbraw/zinc/30/77/26/646307726.db2.gz UJNAPPDPTSNYPI-LLVKDONJSA-N 2 0 214.353 1.532 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@H]1CC[NH2+]C12CCC2 ZINC000925510338 646308180 /nfs/dbraw/zinc/30/81/80/646308180.db2.gz UZNVRUWGBQKIGY-OLZOCXBDSA-N 2 0 237.391 1.345 20 0 BDADRP C[C@H]1C[C@H](N(C)C[C@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000929782934 646308683 /nfs/dbraw/zinc/30/86/83/646308683.db2.gz NIZGKKQYSUEZKD-BFHYXJOUSA-N 2 0 239.407 1.495 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925523380 646314909 /nfs/dbraw/zinc/31/49/09/646314909.db2.gz YICKUSJCZRDTHO-CYBMUJFWSA-N 3 0 239.407 1.593 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CCCOCC1CC1 ZINC000925521410 646315408 /nfs/dbraw/zinc/31/54/08/646315408.db2.gz UMNRYXOXAFQEOG-GFCCVEGCSA-N 2 0 226.364 1.533 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CC1(CCO)CCCC1 ZINC000925528477 646317080 /nfs/dbraw/zinc/31/70/80/646317080.db2.gz UPVTWCAXLXTCQL-LBPRGKRZSA-N 2 0 240.391 1.659 20 0 BDADRP Cn1nccc1C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925538925 646321590 /nfs/dbraw/zinc/32/15/90/646321590.db2.gz WRSZOTSXKDUNLX-WDEREUQCSA-N 2 0 236.363 1.416 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925542337 646324595 /nfs/dbraw/zinc/32/45/95/646324595.db2.gz ZORYLZKUMJXGIS-NEPJUHHUSA-N 2 0 226.364 1.269 20 0 BDADRP C[C@@H](CCCO)[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925553484 646330733 /nfs/dbraw/zinc/33/07/33/646330733.db2.gz SQVBIQNSRWYNDJ-QNWHQSFQSA-N 2 0 240.391 1.514 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000925557802 646333941 /nfs/dbraw/zinc/33/39/41/646333941.db2.gz QOLQXVNGHZRUGS-YUTCNCBUSA-N 2 0 237.391 1.201 20 0 BDADRP CC(C)[N@H+](C)CCN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925557020 646333967 /nfs/dbraw/zinc/33/39/67/646333967.db2.gz MKNLKCVNUZROBT-CYBMUJFWSA-N 2 0 239.407 1.591 20 0 BDADRP Cc1noc(C)c1CC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925556933 646334312 /nfs/dbraw/zinc/33/43/12/646334312.db2.gz NACBIUVQRWNJHH-QWHCGFSZSA-N 2 0 249.358 1.693 20 0 BDADRP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925571770 646340315 /nfs/dbraw/zinc/34/03/15/646340315.db2.gz ITRGDXXHDYXDAR-NWDGAFQWSA-N 2 0 240.391 1.658 20 0 BDADRP C[C@@H](CC(N)=O)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925575169 646341377 /nfs/dbraw/zinc/34/13/77/646341377.db2.gz VEIUFXZYSWZRJI-WCQYABFASA-N 2 0 249.358 1.320 20 0 BDADRP CC1(C)C[C@@H]1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925597671 646350695 /nfs/dbraw/zinc/35/06/95/646350695.db2.gz RAUOFEMLOFRTDX-GHMZBOCLSA-N 2 0 208.349 1.907 20 0 BDADRP CNC(=O)CCC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925601599 646352548 /nfs/dbraw/zinc/35/25/48/646352548.db2.gz MEHUQLOSTURDGA-WDEREUQCSA-N 2 0 241.379 1.008 20 0 BDADRP CNC(=O)CCC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925601598 646353441 /nfs/dbraw/zinc/35/34/41/646353441.db2.gz MEHUQLOSTURDGA-QWRGUYRKSA-N 2 0 241.379 1.008 20 0 BDADRP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)[C@@H]1CCCO1 ZINC000925626288 646371627 /nfs/dbraw/zinc/37/16/27/646371627.db2.gz PJBJDEDSXMOKRK-WUHRBBMRSA-N 2 0 238.375 1.804 20 0 BDADRP COCCC(C)(C)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925638823 646381953 /nfs/dbraw/zinc/38/19/53/646381953.db2.gz GODGHJNSXUPSCD-LBPRGKRZSA-N 2 0 240.391 1.923 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925646970 646386430 /nfs/dbraw/zinc/38/64/30/646386430.db2.gz YNMACCAQSUVXRF-ZRUFSTJUSA-N 2 0 212.337 1.269 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCCCO ZINC000925652946 646391001 /nfs/dbraw/zinc/39/10/01/646391001.db2.gz JBPOFJPFRVNEQV-MPEURRAXSA-N 2 0 226.364 1.255 20 0 BDADRP CC1(C)C[C@@H]([NH2+]CCCCCO)C[C@@H]([NH3+])C1 ZINC000925653846 646391299 /nfs/dbraw/zinc/39/12/99/646391299.db2.gz OYWRRELLRCPOHG-NEPJUHHUSA-N 2 0 228.380 1.645 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925651347 646392098 /nfs/dbraw/zinc/39/20/98/646392098.db2.gz AZSVGCDHDSUAMX-XQHKEYJVSA-N 2 0 240.391 1.907 20 0 BDADRP C[C@H](O)CCC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925657844 646392388 /nfs/dbraw/zinc/39/23/88/646392388.db2.gz QAVDYTYXKFYPFR-CYDGBPFRSA-N 2 0 240.391 1.514 20 0 BDADRP C[C@H](O)CCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925655737 646394311 /nfs/dbraw/zinc/39/43/11/646394311.db2.gz HCHMUJRPUTTYJX-NWDGAFQWSA-N 2 0 226.364 1.412 20 0 BDADRP COCC(C)(C)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925671917 646402008 /nfs/dbraw/zinc/40/20/08/646402008.db2.gz FPQFAAUWYXTTOD-GFCCVEGCSA-N 2 0 240.391 1.923 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCn2ccnc21 ZINC000925681986 646409150 /nfs/dbraw/zinc/40/91/50/646409150.db2.gz ZUWGAHGYXUZRFI-IJLVLRJLSA-N 2 0 246.358 1.433 20 0 BDADRP C[C@H](CCO)CC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925682088 646409279 /nfs/dbraw/zinc/40/92/79/646409279.db2.gz ZYXHZWSEUWBBSA-AVGNSLFASA-N 2 0 242.407 1.891 20 0 BDADRP C[C@@H](CCCO)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925680767 646409423 /nfs/dbraw/zinc/40/94/23/646409423.db2.gz UBKHLSICSHWPIN-NWDGAFQWSA-N 2 0 226.364 1.269 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925680769 646409535 /nfs/dbraw/zinc/40/95/35/646409535.db2.gz UBKHLSICSHWPIN-VXGBXAGGSA-N 2 0 226.364 1.269 20 0 BDADRP COCC[C@H](C)C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925686933 646412255 /nfs/dbraw/zinc/41/22/55/646412255.db2.gz XQEAVQGJTCPWBC-SRVKXCTJSA-N 2 0 226.364 1.519 20 0 BDADRP [NH3+]C1(CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CCCCC1 ZINC000925688284 646414419 /nfs/dbraw/zinc/41/44/19/646414419.db2.gz CQXXDVVJMHTEAT-MEBFFEOJSA-N 2 0 249.402 1.234 20 0 BDADRP CC[NH2+]CCCN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925690516 646416925 /nfs/dbraw/zinc/41/69/25/646416925.db2.gz KDIWVGBSVXKOET-FRRDWIJNSA-N 2 0 239.407 1.352 20 0 BDADRP CC(C)[C@@H]([NH3+])CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925691618 646417960 /nfs/dbraw/zinc/41/79/60/646417960.db2.gz IWZLNNQERVPYAF-VOAKCMCISA-N 2 0 239.407 1.336 20 0 BDADRP CC[NH2+]CCC[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000925694986 646419585 /nfs/dbraw/zinc/41/95/85/646419585.db2.gz VFAXXOOUZRHYJB-MELADBBJSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@H]([NH3+])[C@@H](N[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000925700431 646422998 /nfs/dbraw/zinc/42/29/98/646422998.db2.gz PMDBFEZEFAGNLF-AEGPPILISA-N 2 0 247.386 1.807 20 0 BDADRP CC(C)([NH3+])C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925699312 646423861 /nfs/dbraw/zinc/42/38/61/646423861.db2.gz NUZYLIDVKNCZPG-CYBMUJFWSA-N 3 0 235.375 1.794 20 0 BDADRP C[C@H]([NH3+])[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000925701406 646424891 /nfs/dbraw/zinc/42/48/91/646424891.db2.gz ZAVJQDJYKLCOOC-MHEUCROKSA-N 2 0 247.386 1.934 20 0 BDADRP C[C@H]([NH3+])[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000925701405 646425195 /nfs/dbraw/zinc/42/51/95/646425195.db2.gz ZAVJQDJYKLCOOC-ATGSNQNLSA-N 2 0 247.386 1.934 20 0 BDADRP CC[C@H]([NH3+])CN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925704319 646429731 /nfs/dbraw/zinc/42/97/31/646429731.db2.gz GALVUWLBXHJDRB-IHRRRGAJSA-N 2 0 239.407 1.482 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CO1 ZINC000925706276 646430762 /nfs/dbraw/zinc/43/07/62/646430762.db2.gz BVYHBTCIRFJHBY-KVSVUVNWSA-N 2 0 238.375 1.530 20 0 BDADRP C1=C(CC[NH2+][C@H]2CC[NH2+]C23CCC3)CC[NH2+]C1 ZINC000925706183 646431310 /nfs/dbraw/zinc/43/13/10/646431310.db2.gz MKMICUMWYNUBQM-ZDUSSCGKSA-N 3 0 235.375 1.170 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CCCCCC[NH3+] ZINC000925707221 646432754 /nfs/dbraw/zinc/43/27/54/646432754.db2.gz DJHVOFSSFDLLJK-LLVKDONJSA-N 3 0 213.369 1.236 20 0 BDADRP CC1(C)C[C@@H]([NH2+]C/C=C/CO)C[C@@H]([NH3+])C1 ZINC000925710356 646434207 /nfs/dbraw/zinc/43/42/07/646434207.db2.gz WTQMKBNMIKBNEC-YHROSDCASA-N 2 0 212.337 1.031 20 0 BDADRP CC[C@H]([NH3+])CN[C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925713694 646439038 /nfs/dbraw/zinc/43/90/38/646439038.db2.gz XXXRXPDWDJJXLF-KGYLQXTDSA-N 2 0 221.348 1.402 20 0 BDADRP C1C[C@@H]([NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)C[NH2+]1 ZINC000925717865 646442647 /nfs/dbraw/zinc/44/26/47/646442647.db2.gz IKDLSDAPGWVDFN-YVECIDJPSA-N 2 0 224.348 1.143 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925718953 646443662 /nfs/dbraw/zinc/44/36/62/646443662.db2.gz KSKIBVPDYHVONX-QNWHQSFQSA-N 2 0 239.407 1.623 20 0 BDADRP C[C@@H]([NH3+])[C@@H](N[C@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1 ZINC000925720096 646444158 /nfs/dbraw/zinc/44/41/58/646444158.db2.gz WFHPNSQIDYVLRB-RJZRQDKASA-N 2 0 247.386 1.805 20 0 BDADRP [NH3+]CCC[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccccc1 ZINC000925728446 646454879 /nfs/dbraw/zinc/45/48/79/646454879.db2.gz VGSNLNUEOHAWSE-BPLDGKMQSA-N 3 0 247.386 1.794 20 0 BDADRP CC1(C[NH2+][C@H]2CCC[C@@H]2[NH3+])CC(F)(F)C1 ZINC000925735430 646460277 /nfs/dbraw/zinc/46/02/77/646460277.db2.gz ZTZZWYTYDVULFY-IUCAKERBSA-N 2 0 218.291 1.891 20 0 BDADRP CC[C@@H]([NH2+]CCC(C)(C)[NH3+])[C@H]1CCOC1 ZINC000925740310 646461804 /nfs/dbraw/zinc/46/18/04/646461804.db2.gz IEVQYLXMJUMNSX-WDEREUQCSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1NCCC(C)(C)[NH3+] ZINC000925739083 646462450 /nfs/dbraw/zinc/46/24/50/646462450.db2.gz ZVTLAQOOFQTNGZ-WDEREUQCSA-N 2 0 213.369 1.092 20 0 BDADRP CCC1([NH3+])CCN([C@@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000925758507 646466658 /nfs/dbraw/zinc/46/66/58/646466658.db2.gz CCYQBLQBTXIXOP-NWDGAFQWSA-N 2 0 225.380 1.330 20 0 BDADRP CCC1([NH3+])CCN([C@H]2CCC[C@H]2[NH3+])CC1 ZINC000925759020 646466989 /nfs/dbraw/zinc/46/69/89/646466989.db2.gz GOVPPGWZCSSXCQ-MNOVXSKESA-N 2 0 211.353 1.070 20 0 BDADRP CCC1([NH3+])CCN([C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000925760663 646467082 /nfs/dbraw/zinc/46/70/82/646467082.db2.gz OAXGRHYDWIVNFS-OLZOCXBDSA-N 2 0 239.407 1.850 20 0 BDADRP CC1(C)CO[C@H](CC[NH2+][C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925773698 646474090 /nfs/dbraw/zinc/47/40/90/646474090.db2.gz FOZVVTHOAORUBI-VXGBXAGGSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CCCO1)[C@H]1CCC[NH2+]C1 ZINC000925776025 646475488 /nfs/dbraw/zinc/47/54/88/646475488.db2.gz USYGYBLMEVSLLE-FRRDWIJNSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[NH2+]CCC2(F)F)[C@H](C)O1 ZINC000925775248 646475623 /nfs/dbraw/zinc/47/56/23/646475623.db2.gz DVOARNWFXYSUAQ-YTWAJWBKSA-N 2 0 248.317 1.387 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)[C@H](C)O1 ZINC000925775246 646476249 /nfs/dbraw/zinc/47/62/49/646476249.db2.gz DVOARNWFXYSUAQ-RCWTZXSCSA-N 2 0 248.317 1.387 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925779687 646477529 /nfs/dbraw/zinc/47/75/29/646477529.db2.gz ZJPLSTSAMWQNIS-WDEREUQCSA-N 3 0 249.349 1.338 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000925779207 646477399 /nfs/dbraw/zinc/47/73/99/646477399.db2.gz ICESJGGNPANLAT-DHGKCCLASA-N 2 0 238.375 1.389 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CCCC12CCC2 ZINC000925782449 646479649 /nfs/dbraw/zinc/47/96/49/646479649.db2.gz GMTSIWIUCGXEIC-IJLUTSLNSA-N 2 0 208.349 1.907 20 0 BDADRP C[C@H]([NH3+])[C@@H](NC[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1 ZINC000925783042 646479933 /nfs/dbraw/zinc/47/99/33/646479933.db2.gz BQTSDBNSIDVXQF-PAPYEOQZSA-N 2 0 247.386 1.520 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCC[C@@H]1CCF ZINC000925785257 646481556 /nfs/dbraw/zinc/48/15/56/646481556.db2.gz MIEYUBUNUDERMA-NDBYEHHHSA-N 2 0 228.355 1.960 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000925785966 646481979 /nfs/dbraw/zinc/48/19/79/646481979.db2.gz QUMYOHXIPJFGTG-MDZLAQPJSA-N 2 0 248.374 1.243 20 0 BDADRP CO[C@H]1CCC[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000925786201 646482286 /nfs/dbraw/zinc/48/22/86/646482286.db2.gz RUCBAVHXTUNRLD-NOOOWODRSA-N 2 0 212.337 1.142 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1C[C@@H]1C ZINC000925787837 646482954 /nfs/dbraw/zinc/48/29/54/646482954.db2.gz VNOWWYZSATVBMM-OFTGVCEQSA-N 2 0 210.365 1.866 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1nccn1C ZINC000925796239 646486641 /nfs/dbraw/zinc/48/66/41/646486641.db2.gz JRTDSSIESWXKJW-IJLUTSLNSA-N 2 0 236.363 1.316 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cnccn1 ZINC000925801608 646486928 /nfs/dbraw/zinc/48/69/28/646486928.db2.gz VGWLNTUSAUWFND-GRYCIOLGSA-N 2 0 234.347 1.373 20 0 BDADRP Cc1cc([C@@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)no1 ZINC000925803627 646488969 /nfs/dbraw/zinc/48/89/69/646488969.db2.gz SDXYMVOAIRPTOK-YUSALJHKSA-N 2 0 237.347 1.879 20 0 BDADRP C[C@@H](CC1CC1)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925808221 646490552 /nfs/dbraw/zinc/49/05/52/646490552.db2.gz BHFWLPXOGQERRN-NSHDSACASA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)NCc1cc(N(C)C)cc[nH+]1 ZINC000925813485 646492003 /nfs/dbraw/zinc/49/20/03/646492003.db2.gz TZNNRAVCJGHRKF-MNOVXSKESA-N 2 0 236.363 1.363 20 0 BDADRP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccccn1 ZINC000925815957 646492730 /nfs/dbraw/zinc/49/27/30/646492730.db2.gz UZYIYEUZXSGXLV-GFCCVEGCSA-N 2 0 248.374 1.155 20 0 BDADRP C1=C[C@@H](C[NH2+][C@@H]2CCC[NH2+]CC2)[C@H]2CO[C@@H]1C2 ZINC000925830115 646499463 /nfs/dbraw/zinc/49/94/63/646499463.db2.gz JBLVXRLRVNXKLE-DGAVXFQQSA-N 2 0 236.359 1.309 20 0 BDADRP C[C@H]1C[N@H+](C)C[C@@H]1NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925841131 646505967 /nfs/dbraw/zinc/50/59/67/646505967.db2.gz FIRDCNXLOSCPLB-IGQOVBAYSA-N 2 0 237.391 1.058 20 0 BDADRP [NH3+][C@@H]1C[C@@H](NC[C@]23CCC[C@H]2[NH2+]CC3)C12CCC2 ZINC000925838656 646506103 /nfs/dbraw/zinc/50/61/03/646506103.db2.gz NODKMKZUKOZBQV-AAVRWANBSA-N 2 0 249.402 1.378 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925840580 646506607 /nfs/dbraw/zinc/50/66/07/646506607.db2.gz MUCAXMIHBVISLO-UMSGYPCISA-N 2 0 225.380 1.234 20 0 BDADRP COC[C@H](C[NH2+][C@@H]1CC[NH2+]C1(C)C)C(C)C ZINC000925875084 646524442 /nfs/dbraw/zinc/52/44/42/646524442.db2.gz YPPZAHWQVVKULL-NWDGAFQWSA-N 2 0 228.380 1.635 20 0 BDADRP CC[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCOC1 ZINC000925875023 646525744 /nfs/dbraw/zinc/52/57/44/646525744.db2.gz BRPJVQKFHLVEAJ-FVCCEPFGSA-N 2 0 226.364 1.519 20 0 BDADRP COCCC[C@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925875040 646525810 /nfs/dbraw/zinc/52/58/10/646525810.db2.gz CHKVJKDCIJLNMX-TUAOUCFPSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925875298 646525854 /nfs/dbraw/zinc/52/58/54/646525854.db2.gz FUZZQBOORONEAT-KZVDOYCCSA-N 2 0 237.391 1.186 20 0 BDADRP CCOCCOCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000925875633 646526061 /nfs/dbraw/zinc/52/60/61/646526061.db2.gz VNHOYERGVGQCKE-STQMWFEESA-N 2 0 244.379 1.147 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCCC[NH2+]1 ZINC000925880108 646528931 /nfs/dbraw/zinc/52/89/31/646528931.db2.gz ODKNLYZSTGQSKN-RNJOBUHISA-N 3 0 225.380 1.234 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000925879558 646529952 /nfs/dbraw/zinc/52/99/52/646529952.db2.gz HXRKASGEUBVQJM-XQHKEYJVSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@@H]1OC[C@H]([NH2+][C@H]2CCc3nc[nH]c3C2)[C@@H]1C ZINC000926451116 646641760 /nfs/dbraw/zinc/64/17/60/646641760.db2.gz WLFDJICKHGLBMK-QYTUQVAYSA-N 2 0 235.331 1.280 20 0 BDADRP C[NH2+]CC1CC[NH+](Cc2nn(C)cc2C)CC1 ZINC000723962385 711548180 /nfs/dbraw/zinc/54/81/80/711548180.db2.gz DVMHRJTWSYZZGU-UHFFFAOYSA-N 2 0 236.363 1.160 20 0 BDADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCCCC[NH3+] ZINC000385356152 711699939 /nfs/dbraw/zinc/69/99/39/711699939.db2.gz GWYSFYRSIKYBCF-LBPRGKRZSA-N 2 0 241.379 1.058 20 0 BDADRP CC1CC[NH+](CCN[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000396602883 711702656 /nfs/dbraw/zinc/70/26/56/711702656.db2.gz NYNLALBWAKTKMN-UONOGXRCSA-N 2 0 239.407 1.448 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)C(C)(C)C)CC[C@H]21 ZINC000879580836 711770615 /nfs/dbraw/zinc/77/06/15/711770615.db2.gz UZKDDXJPSOZTAR-UPJWGTAASA-N 2 0 240.391 1.419 20 0 BDADRP COC[C@H](C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1)C(C)C ZINC000721910919 711917421 /nfs/dbraw/zinc/91/74/21/711917421.db2.gz GPFONMATMDQTCT-XQQFMLRXSA-N 2 0 228.380 1.574 20 0 BDADRP C[NH2+]CCC[N@H+](C)C[C@@H](COC)C(C)C ZINC000721916600 711918820 /nfs/dbraw/zinc/91/88/20/711918820.db2.gz YWFNKKPMVKKQHU-LBPRGKRZSA-N 2 0 216.369 1.446 20 0 BDADRP COC[C@H](C[N@H+](C)C1CC[NH2+]CC1)C(C)C ZINC000721914058 711918110 /nfs/dbraw/zinc/91/81/10/711918110.db2.gz QXQFGTAGKTXPPT-LBPRGKRZSA-N 2 0 228.380 1.589 20 0 BDADRP FC1(F)CC(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000383006260 711945099 /nfs/dbraw/zinc/94/50/99/711945099.db2.gz AWHGDUHKLWDITE-UWVGGRQHSA-N 2 0 216.275 1.183 20 0 BDADRP C[C@@H]1CSCC[N@@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000700239932 711988148 /nfs/dbraw/zinc/98/81/48/711988148.db2.gz XRSNJUALIQWMLD-VXGBXAGGSA-N 2 0 228.405 1.813 20 0 BDADRP C[C@H](CC[NH2+][C@H]1CCSC1)[NH+](C)C ZINC000700508762 711995518 /nfs/dbraw/zinc/99/55/18/711995518.db2.gz YLWHJXMYYYZGDK-ZJUUUORDSA-N 2 0 202.367 1.422 20 0 BDADRP C[NH+](C)CC(C)(C)C[NH2+]C1CCC(C)(O)CC1 ZINC000703025872 712065172 /nfs/dbraw/zinc/06/51/72/712065172.db2.gz YRBCBEUZWGPFBA-UHFFFAOYSA-N 2 0 242.407 1.857 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2ccoc2)C12CCC2 ZINC000703076138 712066603 /nfs/dbraw/zinc/06/66/03/712066603.db2.gz REDDUTYDVUBZMG-NWDGAFQWSA-N 2 0 220.316 1.682 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]C2CC([NH+](C)C)C2)CS1 ZINC000706078534 712139530 /nfs/dbraw/zinc/13/95/30/712139530.db2.gz ILMFRUZAEAFTQI-QYNFOATHSA-N 2 0 228.405 1.953 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@H]1CC(C)(C)CO1 ZINC000708337490 712189184 /nfs/dbraw/zinc/18/91/84/712189184.db2.gz NMBQETBYSUJPRI-IJLUTSLNSA-N 2 0 226.364 1.613 20 0 BDADRP C[C@H](C[N@H+](C)C[C@H](O)C[NH3+])CC(C)(C)C ZINC000709133227 712209943 /nfs/dbraw/zinc/20/99/43/712209943.db2.gz YMHTUMKOUQUNEM-WDEREUQCSA-N 2 0 216.369 1.310 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000710548998 712226664 /nfs/dbraw/zinc/22/66/64/712226664.db2.gz DBJAZPOBSOBCHO-QGKZMRNZSA-N 2 0 244.329 1.993 20 0 BDADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC1CCC1)C2 ZINC000709858158 712229724 /nfs/dbraw/zinc/22/97/24/712229724.db2.gz ANKWOKSMLUXWGT-XQQFMLRXSA-N 2 0 208.349 1.988 20 0 BDADRP CCN1CC[C@@H]([N@H+](C)CCCCCC[NH3+])C1=O ZINC000710804331 712257237 /nfs/dbraw/zinc/25/72/37/712257237.db2.gz NKTLVBQWUSEOGS-GFCCVEGCSA-N 2 0 241.379 1.058 20 0 BDADRP COC1(OC)CC[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000710958385 712268257 /nfs/dbraw/zinc/26/82/57/712268257.db2.gz KBJXVILKKYSFJD-LBPRGKRZSA-N 2 0 242.363 1.069 20 0 BDADRP COC(=O)CCCC[N@@H+]1CC[NH2+]CCC1(C)C ZINC000712555050 712445284 /nfs/dbraw/zinc/44/52/84/712445284.db2.gz PSJAJCYIAPORDZ-UHFFFAOYSA-N 2 0 242.363 1.404 20 0 BDADRP CCN1CC[C@H]1C[NH2+]C1CC[NH+](CC)CC1 ZINC000712555779 712445448 /nfs/dbraw/zinc/44/54/48/712445448.db2.gz HHSXXLMKWIWZFO-ZDUSSCGKSA-N 2 0 225.380 1.155 20 0 BDADRP C[N@H+](C[C@H]1CCC(C)(C)CO1)C1CC[NH2+]CC1 ZINC000713584455 712466128 /nfs/dbraw/zinc/46/61/28/712466128.db2.gz FUNOEYPCBLRWJF-CYBMUJFWSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]1COC[C@@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715574508 712529420 /nfs/dbraw/zinc/52/94/20/712529420.db2.gz UUBBFXTYUQSSLO-WTIISPKJSA-N 2 0 226.364 1.484 20 0 BDADRP C[N@H+](CCCF)C[C@@H]1CCCC[NH2+]C1 ZINC000716809923 712575961 /nfs/dbraw/zinc/57/59/61/712575961.db2.gz UBDRNEYFUJPQQE-LLVKDONJSA-N 2 0 202.317 1.668 20 0 BDADRP FC(F)OCCN1CCC2(CC[NH2+]2)CC1 ZINC000852752276 712612845 /nfs/dbraw/zinc/61/28/45/712612845.db2.gz SVMIULYTAZXYGV-UHFFFAOYSA-N 2 0 220.263 1.054 20 0 BDADRP CC1(C)CO[C@H](C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000717283703 712644598 /nfs/dbraw/zinc/64/45/98/712644598.db2.gz FGKOVDNKRHKGBN-GRYCIOLGSA-N 2 0 226.364 1.519 20 0 BDADRP CN1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCCCC[NH3+] ZINC000720890428 712874811 /nfs/dbraw/zinc/87/48/11/712874811.db2.gz BKLZIJQXQSUMHU-UONOGXRCSA-N 2 0 239.407 1.674 20 0 BDADRP CCO[C@@H]1CCC[C@@H]([NH2+]CCC[NH+](C)C)C1 ZINC000721200598 712898125 /nfs/dbraw/zinc/89/81/25/712898125.db2.gz JAEKTHBPHWLDJU-CHWSQXEVSA-N 2 0 228.380 1.875 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@@H](COC)C(C)C)CC1 ZINC000721881431 710690473 /nfs/dbraw/zinc/69/04/73/710690473.db2.gz VAPYVXHOTXQZKR-ZDUSSCGKSA-N 2 0 242.407 1.979 20 0 BDADRP OC1CC2(C[C@@H]2[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000724987272 710753734 /nfs/dbraw/zinc/75/37/34/710753734.db2.gz UKYZPPLGLXIMGY-VZANTVGXSA-N 2 0 236.359 1.116 20 0 BDADRP COC(=O)[C@H](C)C[N@H+](C)CCCCCC[NH3+] ZINC000385296497 711010444 /nfs/dbraw/zinc/01/04/44/711010444.db2.gz DJXWFSWBHDDEHP-LLVKDONJSA-N 2 0 230.352 1.246 20 0 BDADRP C[C@H](CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)[N@H+](C)C1CC1 ZINC000385550061 711015013 /nfs/dbraw/zinc/01/50/13/711015013.db2.gz WVNFLTDWXRPJLT-AWOLGQDMSA-N 2 0 249.402 1.055 20 0 BDADRP C[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000389318039 711076073 /nfs/dbraw/zinc/07/60/73/711076073.db2.gz FYUIADDGOZUIBG-NTZNESFSSA-N 2 0 208.349 1.859 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCOC2CCC2)CC[N@@H+]1C ZINC000390593264 711128492 /nfs/dbraw/zinc/12/84/92/711128492.db2.gz ZUWWFTUNGIMEIT-VXGBXAGGSA-N 2 0 226.364 1.628 20 0 BDADRP C(CC1CC1)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000394487070 711193331 /nfs/dbraw/zinc/19/33/31/711193331.db2.gz IGLJZTWOXYHXQK-OLZOCXBDSA-N 2 0 208.349 1.860 20 0 BDADRP CC[C@@]1([NH2+]CC2CC[NH+](C)CC2)CCOC1 ZINC000393469738 711160653 /nfs/dbraw/zinc/16/06/53/711160653.db2.gz PHFWAJNDUHTYAE-CYBMUJFWSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@H](O)CC(C)(C)C[NH2+]CC1CC[NH+](C)CC1 ZINC000393642889 711167835 /nfs/dbraw/zinc/16/78/35/711167835.db2.gz ZKCSPHXISITMCB-LBPRGKRZSA-N 2 0 242.407 1.715 20 0 BDADRP CC[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C(C)(C)O ZINC000394011762 711181179 /nfs/dbraw/zinc/18/11/79/711181179.db2.gz DKTWHTBDLFAUCB-RJRAAQABSA-N 2 0 238.375 1.122 20 0 BDADRP C[C@H](CCCO)C[NH2+]CC1CC[NH+](C)CC1 ZINC000395028009 711200818 /nfs/dbraw/zinc/20/08/18/711200818.db2.gz GHMSITIYHWIYDG-GFCCVEGCSA-N 2 0 228.380 1.326 20 0 BDADRP CC[NH+](CC)CCN[C@@H]1CCC[NH2+][C@H]1C ZINC000396636235 711360990 /nfs/dbraw/zinc/36/09/90/711360990.db2.gz KKAIFALVCLJRAH-NWDGAFQWSA-N 2 0 213.369 1.058 20 0 BDADRP CCCCOCCC[NH2+][C@@H]1CCCN[C@@H]1C ZINC000396638315 711361162 /nfs/dbraw/zinc/36/11/62/711361162.db2.gz LZUUOTHJXCEISR-CHWSQXEVSA-N 2 0 228.380 1.923 20 0 BDADRP C[C@H](CN[C@@H]1CCC[NH2+][C@H]1C)C[NH+]1CCCC1 ZINC000396597878 711354749 /nfs/dbraw/zinc/35/47/49/711354749.db2.gz MDVSVENYXJBLLR-HZSPNIEDSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H]1[NH2+]CCC[C@@H]1NCC1([NH+](C)C)CCCC1 ZINC000396585976 711356790 /nfs/dbraw/zinc/35/67/90/711356790.db2.gz HQQQTOMYYBEOLN-OLZOCXBDSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@H]1NCCC[C@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000396594315 711359685 /nfs/dbraw/zinc/35/96/85/711359685.db2.gz KWJYMUBNVVLUMH-CHWSQXEVSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H](O)C[C@@H](C)C[NH2+]CC1CC[NH+](C)CC1 ZINC000398699969 711415179 /nfs/dbraw/zinc/41/51/79/711415179.db2.gz VXNNHUPZKLJHCI-VXGBXAGGSA-N 2 0 228.380 1.325 20 0 BDADRP C[C@@H]1COCC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000399172626 711423023 /nfs/dbraw/zinc/42/30/23/711423023.db2.gz OXWDXISEIWWLGY-STQMWFEESA-N 2 0 226.364 1.344 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])C1 ZINC000721962815 710693635 /nfs/dbraw/zinc/69/36/35/710693635.db2.gz OTXNXOXRTOGFQK-IGQOVBAYSA-N 2 0 240.391 1.861 20 0 BDADRP C[N@H+](CCCCCCC[NH3+])C[C@@H]1CCOC1 ZINC000398947716 710910398 /nfs/dbraw/zinc/91/03/98/710910398.db2.gz MECIVKJFXGUDKW-ZDUSSCGKSA-N 2 0 228.380 1.864 20 0 BDADRP C(C[NH2+]C1CC1)CN1CC[NH+](C2CCC2)CC1 ZINC000393256628 711156032 /nfs/dbraw/zinc/15/60/32/711156032.db2.gz NQQLUSFHJGWPAS-UHFFFAOYSA-N 2 0 237.391 1.299 20 0 BDADRP C[N@H+](CCCCCC[NH3+])C[C@H]1CCOC1 ZINC000399703037 711433939 /nfs/dbraw/zinc/43/39/39/711433939.db2.gz BQDBQVSDMUFSIC-GFCCVEGCSA-N 2 0 214.353 1.474 20 0 BDADRP Cc1nc(C)c(C[N@@H+]2CCC[C@H](CC[NH3+])C2)o1 ZINC000723633073 711527893 /nfs/dbraw/zinc/52/78/93/711527893.db2.gz JBBMOOBFZALIEV-GFCCVEGCSA-N 2 0 237.347 1.852 20 0 BDADRP Cc1nc(C)c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)o1 ZINC000723642460 711529536 /nfs/dbraw/zinc/52/95/36/711529536.db2.gz WCVSWXHTZLIPBY-AVGNSLFASA-N 2 0 249.358 1.851 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000723648945 711530630 /nfs/dbraw/zinc/53/06/30/711530630.db2.gz XJLDUKOOEJTXHC-AAVRWANBSA-N 2 0 240.391 1.909 20 0 BDADRP Cc1cc(C[N@@H+]2CC[C@H](CC[NH3+])C2)no1 ZINC000723691947 711534240 /nfs/dbraw/zinc/53/42/40/711534240.db2.gz VWVHUEVYIFWVBW-JTQLQIEISA-N 2 0 209.293 1.154 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](C[C@@H]2CCSC2)C1 ZINC000723709268 711536051 /nfs/dbraw/zinc/53/60/51/711536051.db2.gz NJDOMGFIGZDQEQ-QWRGUYRKSA-N 2 0 214.378 1.410 20 0 BDADRP CC(C)OCCC[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723902922 711545118 /nfs/dbraw/zinc/54/51/18/711545118.db2.gz QXTPSVFSTCUHAM-CHWSQXEVSA-N 2 0 228.380 1.718 20 0 BDADRP COCc1cccc(C[NH2+]C2CC([NH3+])C2)c1 ZINC000087651685 711545842 /nfs/dbraw/zinc/54/58/42/711545842.db2.gz GUEJOJGQWXIAMX-UHFFFAOYSA-N 2 0 220.316 1.412 20 0 BDADRP CSC[C@H](C)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000382204921 711555143 /nfs/dbraw/zinc/55/51/43/711555143.db2.gz JZIPBECDRYTHRL-KUYXLPFXSA-N 2 0 226.389 1.324 20 0 BDADRP CC(C)OCC[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000133084973 711558803 /nfs/dbraw/zinc/55/88/03/711558803.db2.gz FNFHVNCETAGIOQ-VXGBXAGGSA-N 2 0 214.353 1.328 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)C(C)(C)CO ZINC000926573994 711653826 /nfs/dbraw/zinc/65/38/26/711653826.db2.gz RDXIELZMQUBJDN-STQMWFEESA-N 2 0 242.407 1.715 20 0 BDADRP CSC(C)(C)CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000385283634 711687277 /nfs/dbraw/zinc/68/72/77/711687277.db2.gz HBKNSITXQBKCBV-QWRGUYRKSA-N 2 0 228.405 1.669 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CCOC1 ZINC000722504725 711703931 /nfs/dbraw/zinc/70/39/31/711703931.db2.gz PUSAENMTCGFNMK-XQHKEYJVSA-N 2 0 226.364 1.247 20 0 BDADRP C[N@H+](C[C@@H]1CCCOC1)C[C@@]1(C)CC[NH2+]C1 ZINC000082545715 711716815 /nfs/dbraw/zinc/71/68/15/711716815.db2.gz KBAPCZLUZXITHJ-STQMWFEESA-N 2 0 226.364 1.344 20 0 BDADRP C(CN1CC[C@@]2(CCC[NH2+]2)C1)[C@H]1CCC[NH2+]C1 ZINC000334979369 711719744 /nfs/dbraw/zinc/71/97/44/711719744.db2.gz FNXRTTZAJHCAHC-KGLIPLIRSA-N 2 0 237.391 1.204 20 0 BDADRP Cn1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000257680309 711726254 /nfs/dbraw/zinc/72/62/54/711726254.db2.gz KVFFPCSYPCATTG-AWEZNQCLSA-N 2 0 233.359 1.601 20 0 BDADRP CC(C)[N@H+](C)CCN[C@H]1CCCC[C@H]1C[NH3+] ZINC000250491697 711759950 /nfs/dbraw/zinc/75/99/50/711759950.db2.gz HEMRIYBLRMTAMZ-STQMWFEESA-N 2 0 227.396 1.434 20 0 BDADRP Cc1noc2ncc(CNCCC[NH+](C)C)cc12 ZINC000894145595 711764352 /nfs/dbraw/zinc/76/43/52/711764352.db2.gz FQSBDHXAWKAFBC-UHFFFAOYSA-N 2 0 248.330 1.573 20 0 BDADRP C1[C@H]([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C12CCCC2 ZINC000387294540 711787147 /nfs/dbraw/zinc/78/71/47/711787147.db2.gz OEWLHNBXQXHUBN-VZKILSJISA-N 2 0 232.371 1.905 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CSCCS1 ZINC000229588976 711838528 /nfs/dbraw/zinc/83/85/28/711838528.db2.gz XTBGDNCUMRMMET-HBNTYKKESA-N 2 0 246.445 1.552 20 0 BDADRP CC(C)C[C@@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000721920802 711937352 /nfs/dbraw/zinc/93/73/52/711937352.db2.gz JIJOKRCWBOKTSU-GFCCVEGCSA-N 2 0 227.396 1.434 20 0 BDADRP C[C@@H](C[N@H+](C)CCOCC[NH3+])CC(C)(C)C ZINC000709192079 711978682 /nfs/dbraw/zinc/97/86/82/711978682.db2.gz YNEPEKQEFPGFQC-GFCCVEGCSA-N 2 0 230.396 1.966 20 0 BDADRP CC[N@H+](C[C@@H]1CCCO1)C[C@H]1CCCC[NH2+]C1 ZINC000700383381 711991551 /nfs/dbraw/zinc/99/15/51/711991551.db2.gz IXRPVFBVGBJIOQ-KBPBESRZSA-N 2 0 240.391 1.877 20 0 BDADRP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000700788965 712005190 /nfs/dbraw/zinc/00/51/90/712005190.db2.gz SKVTVEUBXNAZTB-HZSPNIEDSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](CC[C@@H]1CCCCO1)C2 ZINC000702111321 712038998 /nfs/dbraw/zinc/03/89/98/712038998.db2.gz PZCAXKMJSLMZQU-MELADBBJSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ncc[nH]1 ZINC000702670289 712057911 /nfs/dbraw/zinc/05/79/11/712057911.db2.gz VPFZYUAPFSYBGL-SNVBAGLBSA-N 2 0 222.336 1.450 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+]C2CCC(C)(O)CC2)C1 ZINC000703008232 712063826 /nfs/dbraw/zinc/06/38/26/712063826.db2.gz HLUGSJDXCOVBQG-IYXRBSQSSA-N 2 0 240.391 1.611 20 0 BDADRP CN1CCC[C@@H]1C[NH2+]C1CCC(C)(O)CC1 ZINC000703010769 712064645 /nfs/dbraw/zinc/06/46/45/712064645.db2.gz RKJQSRJEHLAJBL-OTTFEQOBSA-N 2 0 226.364 1.364 20 0 BDADRP COC1CC(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)C1 ZINC000703161176 712066851 /nfs/dbraw/zinc/06/68/51/712066851.db2.gz BQLNGAJZZHUPPT-UZEXVOJHSA-N 2 0 212.337 1.223 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cncc(Cl)c2)C1 ZINC000703684540 712083942 /nfs/dbraw/zinc/08/39/42/712083942.db2.gz RIGCOHZOBLMLMD-SNVBAGLBSA-N 2 0 239.750 1.906 20 0 BDADRP CC(C)CCCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000703998011 712098980 /nfs/dbraw/zinc/09/89/80/712098980.db2.gz KMKZXMULKQKQSO-CHWSQXEVSA-N 2 0 210.365 1.964 20 0 BDADRP C[N@H+](CCCCCC[NH3+])C[C@@H]1CCC[NH+](C)C1 ZINC000705175421 712125324 /nfs/dbraw/zinc/12/53/24/712125324.db2.gz SHDOQFXSONTMMC-AWEZNQCLSA-N 3 0 241.423 1.779 20 0 BDADRP C[N@H+](CCCCCC[NH3+])C[C@H]1CCC[NH+](C)C1 ZINC000705175422 712125790 /nfs/dbraw/zinc/12/57/90/712125790.db2.gz SHDOQFXSONTMMC-CQSZACIVSA-N 3 0 241.423 1.779 20 0 BDADRP COCC1([N@H+](C)CCC[NH2+]C2CC2)CC1 ZINC000706417796 712145657 /nfs/dbraw/zinc/14/56/57/712145657.db2.gz QMCBXPJAGPRBJB-UHFFFAOYSA-N 2 0 212.337 1.239 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)CCCC1CC1 ZINC000706633831 712152060 /nfs/dbraw/zinc/15/20/60/712152060.db2.gz GZWANIXGJWYJDO-UHFFFAOYSA-N 2 0 214.353 1.344 20 0 BDADRP C([C@H]1CCCC[NH2+]C1)[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000707632868 712175987 /nfs/dbraw/zinc/17/59/87/712175987.db2.gz CCDKOWLBXVGUJH-UONOGXRCSA-N 2 0 238.375 1.489 20 0 BDADRP CCOC[C@@H]1CC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000708285123 712185670 /nfs/dbraw/zinc/18/56/70/712185670.db2.gz DZCZMTXJUXQPFY-KGLIPLIRSA-N 2 0 240.391 1.735 20 0 BDADRP C[N@H+](C[C@H]1CC(C)(C)CO1)C1CC[NH2+]CC1 ZINC000708333215 712188042 /nfs/dbraw/zinc/18/80/42/712188042.db2.gz VEAFNPSMPRSVMR-GFCCVEGCSA-N 2 0 226.364 1.485 20 0 BDADRP CC1(C)CO[C@H](C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000708346398 712190190 /nfs/dbraw/zinc/19/01/90/712190190.db2.gz FFMYFYWEPSDWMN-AGIUHOORSA-N 2 0 238.375 1.485 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@H]1C[NH3+] ZINC000708813955 712199358 /nfs/dbraw/zinc/19/93/58/712199358.db2.gz GMZYKURPMVGZOP-MRVWCRGKSA-N 2 0 234.343 1.247 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccc3c[nH]nc3c2)C[C@H]1C[NH3+] ZINC000708859011 712201153 /nfs/dbraw/zinc/20/11/53/712201153.db2.gz SVTAQJMCUAKMBO-ZWNOBZJWSA-N 2 0 244.342 1.590 20 0 BDADRP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1NC1CC[NH+](C)CC1)[NH2+]2 ZINC000709284684 712218994 /nfs/dbraw/zinc/21/89/94/712218994.db2.gz NZZWAXHLMVXJPK-DEQVHRJGSA-N 2 0 237.391 1.199 20 0 BDADRP C[NH+](C)C1(C)CC[NH+](CCC(C)(C)O)CC1 ZINC000709771877 712220988 /nfs/dbraw/zinc/22/09/88/712220988.db2.gz FBUNIZMMMNQZSP-UHFFFAOYSA-N 2 0 228.380 1.564 20 0 BDADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC[C@@H]1CCCO1)C2 ZINC000709828352 712228640 /nfs/dbraw/zinc/22/86/40/712228640.db2.gz UVODKOZETDKPGE-RNJOBUHISA-N 2 0 224.348 1.367 20 0 BDADRP C(COC1CCC1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000709845019 712229393 /nfs/dbraw/zinc/22/93/93/712229393.db2.gz YWGISGOMZOBEOR-QWHCGFSZSA-N 2 0 238.375 1.772 20 0 BDADRP C(COC1CCC1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000709845017 712229494 /nfs/dbraw/zinc/22/94/94/712229494.db2.gz YWGISGOMZOBEOR-OLZOCXBDSA-N 2 0 238.375 1.772 20 0 BDADRP CC[C@@H]1COC[C@H]1[NH2+]C[C@@H](C)C[NH+](C)C ZINC000711075131 712279039 /nfs/dbraw/zinc/27/90/39/712279039.db2.gz OZTHGTJNVVOIPF-IJLUTSLNSA-N 2 0 214.353 1.199 20 0 BDADRP CC1(C)CC[C@H](C[NH2+][C@@H]2CCC[C@H]2C[NH3+])OC1 ZINC000711390774 712297287 /nfs/dbraw/zinc/29/72/87/712297287.db2.gz NXUGBDOJDTWEPU-YNEHKIRRSA-N 2 0 240.391 1.909 20 0 BDADRP FC[C@@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000711440773 712301046 /nfs/dbraw/zinc/30/10/46/712301046.db2.gz FSIJNIIUDSPBIY-RYUDHWBXSA-N 2 0 214.328 1.668 20 0 BDADRP C[C@@]1(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)CC[NH2+]C1 ZINC000711562777 712310565 /nfs/dbraw/zinc/31/05/65/712310565.db2.gz UOAUMMCZEVAEOQ-GRYCIOLGSA-N 2 0 226.389 1.281 20 0 BDADRP C[C@@H]1CN[C@@H](C)[C@H](C)[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000923435003 712322370 /nfs/dbraw/zinc/32/23/70/712322370.db2.gz CUNQWPPCVADDEK-SJHCENCUSA-N 2 0 225.380 1.185 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](CCOC2CC2)C[C@H]1C[NH3+] ZINC000711783845 712329417 /nfs/dbraw/zinc/32/94/17/712329417.db2.gz BOZDMWNANXTNAS-GRYCIOLGSA-N 2 0 226.364 1.471 20 0 BDADRP C[NH+](C)CCC[NH2+][C@H](C1CCC1)[C@H]1CCOC1 ZINC000711844085 712335257 /nfs/dbraw/zinc/33/52/57/712335257.db2.gz XJMWXVAEFCECBR-UONOGXRCSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C[NH+](C)C ZINC000378907095 712367219 /nfs/dbraw/zinc/36/72/19/712367219.db2.gz ZQEFCAFWKBNHEK-QNWHQSFQSA-N 2 0 210.365 1.962 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+]CC2CC[NH+](C)CC2)CCO1 ZINC000388679717 712373044 /nfs/dbraw/zinc/37/30/44/712373044.db2.gz IKOQEHXIMUISKY-TZMCWYRMSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1COCC[C@H]1[NH2+]CCC(C)(C)[NH3+] ZINC000379511095 712386521 /nfs/dbraw/zinc/38/65/21/712386521.db2.gz XOSWFQSBCWWJKG-NXEZZACHSA-N 2 0 200.326 1.128 20 0 BDADRP CC1(C)[C@@H]2C[N@@H+](C[C@@H]3CC[C@H]([NH3+])C3)C[C@@H]21 ZINC000379560422 712388241 /nfs/dbraw/zinc/38/82/41/712388241.db2.gz ROBDBEUHZVSAAJ-KXNHARMFSA-N 2 0 208.349 1.702 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000712379212 712428804 /nfs/dbraw/zinc/42/88/04/712428804.db2.gz SLDNXJJSRVIOSQ-XDQVBPFNSA-N 2 0 240.391 1.909 20 0 BDADRP COCC(C)(C)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000712622705 712438790 /nfs/dbraw/zinc/43/87/90/712438790.db2.gz YLNOUYDEARIPOA-NSHDSACASA-N 2 0 214.353 1.330 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCN1C)C1CC[NH+](C)CC1 ZINC000712559387 712446019 /nfs/dbraw/zinc/44/60/19/712446019.db2.gz TUEVKASNICVZJO-WCQYABFASA-N 2 0 225.380 1.010 20 0 BDADRP c1cc(CN2CC[NH2+]CCC23CCC3)ccn1 ZINC000713204549 712454934 /nfs/dbraw/zinc/45/49/34/712454934.db2.gz OKAPFPFFAJBLPU-UHFFFAOYSA-N 2 0 231.343 1.800 20 0 BDADRP C[N@H+](CCCOC(F)(F)F)CC(C)(C)C[NH3+] ZINC000713402699 712459081 /nfs/dbraw/zinc/45/90/81/712459081.db2.gz ANMDPAGXUZWRJP-UHFFFAOYSA-N 2 0 242.285 1.830 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](CCCOC(F)(F)F)C1 ZINC000713428022 712459919 /nfs/dbraw/zinc/45/99/19/712459919.db2.gz CXFZEKILGPYDBG-SECBINFHSA-N 2 0 240.269 1.584 20 0 BDADRP Cc1nocc1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000713469522 712461227 /nfs/dbraw/zinc/46/12/27/712461227.db2.gz AIPYSDXPIZMEDY-UHFFFAOYSA-N 2 0 223.320 1.685 20 0 BDADRP C=C/C=C/CC[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000713749525 712471210 /nfs/dbraw/zinc/47/12/10/712471210.db2.gz QQLUNSIUBFGHFI-RDFMZFSFSA-N 2 0 235.375 1.098 20 0 BDADRP CC1(C)CCC[C@H](C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)O1 ZINC000714375493 712484393 /nfs/dbraw/zinc/48/43/93/712484393.db2.gz UWWMAPULBGFDEZ-RWMBFGLXSA-N 2 0 238.375 1.485 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@H]2C[C@H](OC)C2)CC1 ZINC000714692681 712495912 /nfs/dbraw/zinc/49/59/12/712495912.db2.gz VLOFRPRZMSIFOI-AULYBMBSSA-N 2 0 226.364 1.485 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@H]2COC(C)(C)O2)C1 ZINC000715115878 712510492 /nfs/dbraw/zinc/51/04/92/712510492.db2.gz QYAMETMYWMYPKB-RYUDHWBXSA-N 2 0 242.363 1.069 20 0 BDADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ncc[nH]1 ZINC000715181175 712513366 /nfs/dbraw/zinc/51/33/66/712513366.db2.gz PZBWGDQNPMHRLF-VOMCLLRMSA-N 2 0 236.363 1.933 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000715203543 712514125 /nfs/dbraw/zinc/51/41/25/712514125.db2.gz DXJRFMCURKLRJZ-QWHCGFSZSA-N 2 0 249.358 1.750 20 0 BDADRP CC1(C)CN(C[C@@H]2CC[C@@H](C3CC3)O2)C[C@@H]1[NH3+] ZINC000715412075 712517600 /nfs/dbraw/zinc/51/76/00/712517600.db2.gz FPYDRHMKDFZWJX-AVGNSLFASA-N 2 0 238.375 1.613 20 0 BDADRP Cc1cn[nH]c1C[N@H+](C)CCCCCC[NH3+] ZINC000715445480 712519254 /nfs/dbraw/zinc/51/92/54/712519254.db2.gz DYAVDGSKPYXZDS-UHFFFAOYSA-N 2 0 224.352 1.669 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CC[C@@H](C3CC3)O2)CC[C@H]1[NH3+] ZINC000715479646 712520652 /nfs/dbraw/zinc/52/06/52/712520652.db2.gz HWNYQVHBMHWCHG-CABNGKKXSA-N 2 0 238.375 1.613 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](C[C@H]2CC[C@H](C3CC3)O2)C1 ZINC000715509176 712524245 /nfs/dbraw/zinc/52/42/45/712524245.db2.gz MIUQNUNEVZQLKV-IACUBPJLSA-N 2 0 238.375 1.615 20 0 BDADRP C[N@H+](C[C@@H]1CC[C@H](C2CC2)O1)CC(C)(C)C[NH3+] ZINC000715511591 712524433 /nfs/dbraw/zinc/52/44/33/712524433.db2.gz SLRJWRRBVSBLLX-QWHCGFSZSA-N 2 0 240.391 1.861 20 0 BDADRP [NH3+]CC1CC[NH+](C[C@@H]2CC[C@H](C3CC3)O2)CC1 ZINC000715510634 712524728 /nfs/dbraw/zinc/52/47/28/712524728.db2.gz QAAHWTRKKNGQNQ-UONOGXRCSA-N 2 0 238.375 1.615 20 0 BDADRP C[C@H]1NCCC[C@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715560374 712528225 /nfs/dbraw/zinc/52/82/25/712528225.db2.gz BLKSOUDDHNYKOP-BLYZHGLHSA-N 2 0 239.407 1.589 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@@H]2COCC2(C)C)CC1 ZINC000715554656 712528260 /nfs/dbraw/zinc/52/82/60/712528260.db2.gz WWRQTGSGZWLONU-WXRRBKDZSA-N 2 0 240.391 1.874 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](C[C@H]2CCC3(CCC3)CO2)C1 ZINC000716295175 712553607 /nfs/dbraw/zinc/55/36/07/712553607.db2.gz RAQYSWSGQQRRSG-QWHCGFSZSA-N 2 0 238.375 1.616 20 0 BDADRP CC[C@H](C[C@@H](C)O)[NH2+]CC1CC[NH+](C)CC1 ZINC000716804820 712575484 /nfs/dbraw/zinc/57/54/84/712575484.db2.gz ZXMLMNZHPUNWFB-DGCLKSJQSA-N 2 0 228.380 1.467 20 0 BDADRP CCC[C@H](CCO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000716815748 712576557 /nfs/dbraw/zinc/57/65/57/712576557.db2.gz TYQXRXSZISWNDF-RLAWYHOSSA-N 2 0 240.391 1.752 20 0 BDADRP CC[C@@H](C[C@@H](C)O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000716841476 712577873 /nfs/dbraw/zinc/57/78/73/712577873.db2.gz DZSKUICJAMFLSU-YJBUHQLJSA-N 2 0 240.391 1.751 20 0 BDADRP CC[C@H](C[C@H](C)O)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000716848521 712578309 /nfs/dbraw/zinc/57/83/09/712578309.db2.gz DHCLCRJTGUSHJF-SGMGOOAPSA-N 2 0 242.407 1.856 20 0 BDADRP C[C@@H]1C[C@@H](C)[N@H+](CCOC(F)F)C[C@H]1C[NH3+] ZINC000852752480 712612941 /nfs/dbraw/zinc/61/29/41/712612941.db2.gz ZZRCWDWOYSCHFP-OPRDCNLKSA-N 2 0 236.306 1.531 20 0 BDADRP CC1(C)CO[C@H](C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000717612267 712662223 /nfs/dbraw/zinc/66/22/23/712662223.db2.gz DSGYBBQMGLIHCJ-QJPTWQEYSA-N 2 0 238.375 1.661 20 0 BDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC000717614027 712662573 /nfs/dbraw/zinc/66/25/73/712662573.db2.gz LCLSFRBJQFLHEE-DCAQKATOSA-N 2 0 226.364 1.517 20 0 BDADRP C[C@](C[NH3+])([NH2+]C[C@@H]1CC(C)(C)CO1)C1CC1 ZINC000717650951 712663144 /nfs/dbraw/zinc/66/31/44/712663144.db2.gz MFYXHVDDVARRRN-WCQYABFASA-N 2 0 226.364 1.519 20 0 BDADRP C[N@H+](CCCCCC[NH3+])CC(=O)N1CCCC1 ZINC000380026480 712683179 /nfs/dbraw/zinc/68/31/79/712683179.db2.gz FKWYNXPHFWYVEK-UHFFFAOYSA-N 2 0 241.379 1.060 20 0 BDADRP C[N@H+](C[C@H]1CCOC1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000717962208 712735866 /nfs/dbraw/zinc/73/58/66/712735866.db2.gz XVNMCQVULXXAAX-UTUOFQBUSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@@H]1[C@H](N[C@H]2CC[NH+]3CCC[C@@H]3C2)CC[N@@H+]1C ZINC000719611177 712816711 /nfs/dbraw/zinc/81/67/11/712816711.db2.gz DTGJHFIEKIQCIM-XJFOESAGSA-N 2 0 237.391 1.295 20 0 BDADRP CCC[NH+]1CCC(N[C@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000719649014 712820803 /nfs/dbraw/zinc/82/08/03/712820803.db2.gz SDOPBEGBXYCUBE-OCCSQVGLSA-N 2 0 239.407 1.543 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H](O)c2ccccc2)C1 ZINC000250822022 712834557 /nfs/dbraw/zinc/83/45/57/712834557.db2.gz TVUGDJLBDSZHKU-MCIONIFRSA-N 2 0 234.343 1.580 20 0 BDADRP CC1(C[N@@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CC1 ZINC000720793913 712866045 /nfs/dbraw/zinc/86/60/45/712866045.db2.gz KWPBKDHTCNBNHD-BDAKNGLRSA-N 2 0 236.281 1.856 20 0 BDADRP C[N@H+](C[C@@H]1C[C@@H]2CCC[C@@H]2O1)CC(C)(C)C[NH3+] ZINC000720876199 712872584 /nfs/dbraw/zinc/87/25/84/712872584.db2.gz ZJNNZLKODSESOO-AVGNSLFASA-N 2 0 240.391 1.861 20 0 BDADRP C[N@H+](C[C@@H]1C[C@H]2CCC[C@H]2O1)CC(C)(C)C[NH3+] ZINC000720876200 712872679 /nfs/dbraw/zinc/87/26/79/712872679.db2.gz ZJNNZLKODSESOO-FRRDWIJNSA-N 2 0 240.391 1.861 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H]2C[C@H]3CCC[C@H]3O2)C1 ZINC000720875883 712873042 /nfs/dbraw/zinc/87/30/42/712873042.db2.gz XYCXBTIIDFWRDX-MQLXINIDSA-N 2 0 238.375 1.613 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)C1 ZINC000720875841 712873095 /nfs/dbraw/zinc/87/30/95/712873095.db2.gz XOGANUQSBBYDFX-ZDEQEGDKSA-N 2 0 224.348 1.225 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000720893517 712875955 /nfs/dbraw/zinc/87/59/55/712875955.db2.gz KWTKOEYHYGOFJZ-ZOBORPQBSA-N 2 0 237.391 1.010 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2OC)CC1 ZINC000384006800 712893163 /nfs/dbraw/zinc/89/31/63/712893163.db2.gz PIKKJLBYVMCJOU-KGLIPLIRSA-N 2 0 240.391 1.875 20 0 BDADRP C[NH+](C)Cc1ccnc(N2CC[C@H]3[NH2+]CC[C@H]32)c1 ZINC001164412780 718876640 /nfs/dbraw/zinc/87/66/40/718876640.db2.gz YZNPSUFLQRZMDU-CHWSQXEVSA-N 2 0 246.358 1.084 20 0 BDADRP CO[C@H]1CC[C@@H]1[N@H+](C)CCCCCC[NH3+] ZINC000724151675 958740625 /nfs/dbraw/zinc/74/06/25/958740625.db2.gz ITGZJIIIITWSOD-RYUDHWBXSA-N 2 0 214.353 1.615 20 0 BDADRP C[C@@H](c1ccncc1)[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693566194 958858509 /nfs/dbraw/zinc/85/85/09/958858509.db2.gz BTEBOMPMHNZKTJ-GMXVVIOVSA-N 2 0 219.332 1.812 20 0 BDADRP CCc1nc(C[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cs1 ZINC000693590544 958903506 /nfs/dbraw/zinc/90/35/06/958903506.db2.gz CIBMFHHNABYUIJ-DTORHVGOSA-N 2 0 225.361 1.532 20 0 BDADRP Cc1ncc(C[NH+]2CCC(C[NH+](C)C)CC2)[nH]1 ZINC000724777875 959443684 /nfs/dbraw/zinc/44/36/84/959443684.db2.gz LUXCNZWVLQUXQM-UHFFFAOYSA-N 2 0 236.363 1.492 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C[C@H](C)O1 ZINC000694851572 960015607 /nfs/dbraw/zinc/01/56/07/960015607.db2.gz KOBDBRHKSAIDMH-RDBSUJKOSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@H](CCO)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925624639 960472189 /nfs/dbraw/zinc/47/21/89/960472189.db2.gz ZGOKABVNFPKLLU-TUAOUCFPSA-N 2 0 228.380 1.643 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925633466 960484117 /nfs/dbraw/zinc/48/41/17/960484117.db2.gz XERHIRWTRULWLL-GFCCVEGCSA-N 3 0 239.407 1.448 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CC(CO)C1 ZINC001167826203 961157919 /nfs/dbraw/zinc/15/79/19/961157919.db2.gz PERBCHXQJFCQEQ-GFCCVEGCSA-N 2 0 228.380 1.421 20 0 BDADRP CC[C@@H](CNC(=O)CC[N@H+](C)CC)[NH2+]C(C)C ZINC001269491112 962687256 /nfs/dbraw/zinc/68/72/56/962687256.db2.gz BUDZBCGTFZWQOS-LBPRGKRZSA-N 2 0 243.395 1.221 20 0 BDADRP Cc1c2[nH+]c[nH]c2ccc1NCC[NH+](C)C ZINC001161668530 963094679 /nfs/dbraw/zinc/09/46/79/963094679.db2.gz LAHSPZHFWJJAND-UHFFFAOYSA-N 2 0 218.304 1.845 20 0 BDADRP C[C@]1([NH3+])CC[N@H+](CC2(C)CCOCC2)C1 ZINC001204763143 963372326 /nfs/dbraw/zinc/37/23/26/963372326.db2.gz HGUVEDWZEROFCQ-LBPRGKRZSA-N 2 0 212.337 1.226 20 0 BDADRP CC[N@H+](CCC(F)(F)F)C[C@H]1C[C@@H]([NH3+])C1 ZINC000689059365 963685988 /nfs/dbraw/zinc/68/59/88/963685988.db2.gz DTORRRIGOBKMOE-DTORHVGOSA-N 2 0 224.270 1.998 20 0 BDADRP COC[C@H]1CCC[N@@H+]1C1CCC([NH+](C)C)CC1 ZINC001168315499 964427551 /nfs/dbraw/zinc/42/75/51/964427551.db2.gz WTVMBTQQLWGYJO-JXQTWKCFSA-N 2 0 240.391 1.970 20 0 BDADRP C[NH+]1CCCC[C@H]1CO[C@@H]1CCC[N@@H+](C)C1 ZINC001224701145 964886383 /nfs/dbraw/zinc/88/63/83/964886383.db2.gz CZBUEFKQVDPKJK-QWHCGFSZSA-N 2 0 226.364 1.582 20 0 BDADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C)C1 ZINC001224921924 965090632 /nfs/dbraw/zinc/09/06/32/965090632.db2.gz BKYDHJUNGBUZCO-LLVKDONJSA-N 2 0 200.326 1.049 20 0 BDADRP CC1(C[NH3+])C[NH+](C[C@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001206710939 966185783 /nfs/dbraw/zinc/18/57/83/966185783.db2.gz BJJXCCZGGAXSHN-QJPTWQEYSA-N 2 0 206.333 1.479 20 0 BDADRP CC(C)[N@H+](C)CCCN(C)C(=O)CC[NH+](C)C ZINC001484758000 966513851 /nfs/dbraw/zinc/51/38/51/966513851.db2.gz ZEDCDRWMKMWNHR-UHFFFAOYSA-N 2 0 243.395 1.127 20 0 BDADRP CC(C)[C@@H](CO)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000162738846 966996770 /nfs/dbraw/zinc/99/67/70/966996770.db2.gz BBCXYLRGSMVASY-CQSZACIVSA-N 2 0 240.391 1.467 20 0 BDADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2nccs2)CC1 ZINC001205546349 967692847 /nfs/dbraw/zinc/69/28/47/967692847.db2.gz UGSAHQQQUCRDGE-NSHDSACASA-N 2 0 243.351 1.796 20 0 BDADRP [NH3+]C[C@@H]1C[N@H+](CCCCCO)CCC1(F)F ZINC001205734719 967810171 /nfs/dbraw/zinc/81/01/71/967810171.db2.gz GXUMOXLAEUVUEN-SNVBAGLBSA-N 2 0 236.306 1.065 20 0 BDADRP C[C@H]1C[N@H+](Cc2cocn2)CCC[C@@H]1C[NH3+] ZINC001206004471 967955213 /nfs/dbraw/zinc/95/52/13/967955213.db2.gz SMXZPYVCLIJXRK-WDEREUQCSA-N 2 0 223.320 1.481 20 0 BDADRP C[C@H](C[NH+](C)C)Nc1cccc(C[NH3+])c1 ZINC001163779027 968122150 /nfs/dbraw/zinc/12/21/50/968122150.db2.gz VEPZKXVVLSXMAC-SNVBAGLBSA-N 2 0 207.321 1.507 20 0 BDADRP NC[C@@]1(F)CCCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC001206336053 968240043 /nfs/dbraw/zinc/24/00/43/968240043.db2.gz JVBZHXPLODLCOA-ZDUSSCGKSA-N 2 0 243.370 1.139 20 0 BDADRP CCC[NH+]1C[C@@H]2C[NH+](CC(C)(C)O)C[C@H]2C1 ZINC001252355452 968631531 /nfs/dbraw/zinc/63/15/31/968631531.db2.gz IJHLCBYSRDBWJR-VXGBXAGGSA-N 2 0 226.364 1.031 20 0 BDADRP C[N@H+](CC1CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC001207402306 968749446 /nfs/dbraw/zinc/74/94/46/968749446.db2.gz YCLGOWSQVDEAJT-ZDUSSCGKSA-N 2 0 226.364 1.439 20 0 BDADRP O=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC[NH2+]CC1 ZINC001207435923 968769600 /nfs/dbraw/zinc/76/96/00/968769600.db2.gz OGYYMRNKYWRGQC-TXEJJXNPSA-N 2 0 222.332 1.182 20 0 BDADRP CN(C1CC1)[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC001207440894 968773274 /nfs/dbraw/zinc/77/32/74/968773274.db2.gz JWIFHMJKSYIODR-AWEZNQCLSA-N 2 0 237.391 1.155 20 0 BDADRP COC[C@H]1CC[N@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208108034 968988195 /nfs/dbraw/zinc/98/81/95/968988195.db2.gz NPOIRASKDHKEPR-ZDUSSCGKSA-N 2 0 240.391 1.687 20 0 BDADRP CCC[C@H](O)C[NH2+]CC12CC[NH+](CC1)CC2 ZINC001252804612 968990330 /nfs/dbraw/zinc/99/03/30/968990330.db2.gz RXKFGUUCXAVBMG-LBPRGKRZSA-N 2 0 226.364 1.223 20 0 BDADRP C[C@@H]1C[N@H+](CC2(C)CC[NH+](C)CC2)CC[C@@H]1O ZINC001208107055 968996207 /nfs/dbraw/zinc/99/62/07/968996207.db2.gz IXDVPQDIJWMULV-OLZOCXBDSA-N 2 0 240.391 1.421 20 0 BDADRP CN(C)CC[N@H+](C)CC1(C)CC[NH+](C)CC1 ZINC001208105056 968999269 /nfs/dbraw/zinc/99/92/69/968999269.db2.gz RVUDWMMVVDUBGB-UHFFFAOYSA-N 2 0 227.396 1.212 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH+]2CC[C@H](O)[C@@H](F)CC2)C1 ZINC001208607278 969163919 /nfs/dbraw/zinc/16/39/19/969163919.db2.gz LHTQJTXXEDVXMC-AVGNSLFASA-N 2 0 244.354 1.123 20 0 BDADRP CC(=O)[C@@H]1CCC[N@H+]1C[C@@H]1CCCN(C)C1 ZINC001208612581 969168374 /nfs/dbraw/zinc/16/83/74/969168374.db2.gz CQIJGYFUHSAGMV-OLZOCXBDSA-N 2 0 224.348 1.382 20 0 BDADRP COCCC[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001209053201 969340585 /nfs/dbraw/zinc/34/05/85/969340585.db2.gz FOQWONTVDJNXQU-UHFFFAOYSA-N 2 0 212.337 1.051 20 0 BDADRP CCOC(C)(C)C[NH+]1CCC([NH+](C)C)CC1 ZINC001209069296 969345610 /nfs/dbraw/zinc/34/56/10/969345610.db2.gz HOYNWEVMJWSWMS-UHFFFAOYSA-N 2 0 228.380 1.828 20 0 BDADRP CC(C)[C@H](O)C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001253766148 969385835 /nfs/dbraw/zinc/38/58/35/969385835.db2.gz BUJDLQNSPIEOCL-GFCCVEGCSA-N 2 0 226.364 1.031 20 0 BDADRP CO[C@H]1CC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169125964 969426405 /nfs/dbraw/zinc/42/64/05/969426405.db2.gz OHWXEICBXIAGAY-RNJOBUHISA-N 2 0 224.348 1.332 20 0 BDADRP CCCC[N@H+](C)CCN[C@H]1CCC[NH+](C)CC1 ZINC001254499970 969658193 /nfs/dbraw/zinc/65/81/93/969658193.db2.gz QTKGHTAOSPADGN-AWEZNQCLSA-N 2 0 241.423 1.792 20 0 BDADRP C[C@@H]([NH3+])c1ccn([C@H]2CCC[N@H+](C)CC2)n1 ZINC001254506011 969672409 /nfs/dbraw/zinc/67/24/09/969672409.db2.gz NLRCCNDLGTWHEM-MNOVXSKESA-N 2 0 222.336 1.560 20 0 BDADRP C[N@H+]([C@H]1CCOC1)[C@H]1CCC[NH+](C)CC1 ZINC001254522050 969695441 /nfs/dbraw/zinc/69/54/41/969695441.db2.gz BCOUGOBFKZCYOA-RYUDHWBXSA-N 2 0 212.337 1.191 20 0 BDADRP C[C@@H]1CC[C@H](O)C[N@@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254517354 969699266 /nfs/dbraw/zinc/69/92/66/969699266.db2.gz URQINRJUQIHFIY-UPJWGTAASA-N 2 0 226.364 1.316 20 0 BDADRP CC[N@H+](C)C1CCN([C@H]2CC[NH+](C)C2)CC1 ZINC001255442552 970176403 /nfs/dbraw/zinc/17/64/03/970176403.db2.gz XXFOAITWDUWPAU-ZDUSSCGKSA-N 2 0 225.380 1.107 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)n1cncc1C[NH3+] ZINC001255940798 970570210 /nfs/dbraw/zinc/57/02/10/970570210.db2.gz GTWNXPCVDRWDFG-LLVKDONJSA-N 2 0 224.352 1.635 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N1CC[C@@H]([NH3+])C1 ZINC001255942829 970574321 /nfs/dbraw/zinc/57/43/21/970574321.db2.gz INFBSZCXTWGBIQ-VXGBXAGGSA-N 2 0 213.369 1.140 20 0 BDADRP CC[NH+](CC)CC[C@H](C)n1ccnc1C(N)=[NH2+] ZINC001255945951 970577819 /nfs/dbraw/zinc/57/78/19/970577819.db2.gz QGEXMUSINDJYPD-JTQLQIEISA-N 2 0 237.351 1.460 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]C[C@H]1CCO1 ZINC001255942028 970579090 /nfs/dbraw/zinc/57/90/90/970579090.db2.gz BEGFRWNIPORJQU-VXGBXAGGSA-N 2 0 214.353 1.485 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H]1CC[C@@H](O)CC1 ZINC001255942800 970579169 /nfs/dbraw/zinc/57/91/69/970579169.db2.gz BEARMQITGWZNDU-MCIONIFRSA-N 2 0 242.407 2.000 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]CCC1COC1 ZINC001255945454 970578604 /nfs/dbraw/zinc/57/86/04/970578604.db2.gz GDDRGXGVKNDXAQ-GFCCVEGCSA-N 2 0 228.380 1.733 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[N@H+](C)CCOC ZINC001255954941 970587804 /nfs/dbraw/zinc/58/78/04/970587804.db2.gz LHYXPXWTFIOWGM-LBPRGKRZSA-N 2 0 216.369 1.685 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC001255956498 970592972 /nfs/dbraw/zinc/59/29/72/970592972.db2.gz KUHREPAXKKQSCK-IHRRRGAJSA-N 2 0 242.407 1.810 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[N@@H+]1C[C@@H](O)CC[C@H]1C ZINC001255956007 970594968 /nfs/dbraw/zinc/59/49/68/970594968.db2.gz FOZBWKRBFPCVJB-MCIONIFRSA-N 2 0 242.407 1.952 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCCC[C@H]1CO ZINC001255955911 970597417 /nfs/dbraw/zinc/59/74/17/970597417.db2.gz XQBCWCWUIFBMBY-KBPBESRZSA-N 2 0 242.407 1.954 20 0 BDADRP CCC[NH+]1CCN(C2CC[NH+](C)CC2)CC1 ZINC001256207347 970710137 /nfs/dbraw/zinc/71/01/37/970710137.db2.gz FNMHVCMERIIAIM-UHFFFAOYSA-N 2 0 225.380 1.108 20 0 BDADRP CN1CCC([NH+]2CC(C)(C)OC(C)(C)C2)CC1 ZINC001256211512 970717286 /nfs/dbraw/zinc/71/72/86/970717286.db2.gz YTVWUBJWSMDYST-UHFFFAOYSA-N 2 0 240.391 1.970 20 0 BDADRP CCO[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001256210949 970719925 /nfs/dbraw/zinc/71/99/25/970719925.db2.gz OIBBWDVAZMAGLK-GFCCVEGCSA-N 2 0 212.337 1.191 20 0 BDADRP CC[N@@H+]1CCC[C@@H](CN[C@@H]2CC[NH2+]C2(C)C)C1 ZINC001332422559 975109675 /nfs/dbraw/zinc/10/96/75/975109675.db2.gz XIKDEMKVQWDCFV-QWHCGFSZSA-N 2 0 239.407 1.448 20 0 BDADRP CCSC[C@@H](C)[NH2+]CCSCC[NH3+] ZINC001173299472 975192123 /nfs/dbraw/zinc/19/21/23/975192123.db2.gz RNWXMLOSFPSNOO-SECBINFHSA-N 2 0 222.423 1.410 20 0 BDADRP CCOC(=O)C[C@H]1CC[C@@H]([NH2+]C2CC([NH3+])C2)C1 ZINC001173638776 975497404 /nfs/dbraw/zinc/49/74/04/975497404.db2.gz ZQWBEQAESDNGLO-UZEXVOJHSA-N 2 0 240.347 1.188 20 0 BDADRP C[C@H]([NH3+])CN1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235234285 979002975 /nfs/dbraw/zinc/00/29/75/979002975.db2.gz XEQOVNRATUCTLA-AAEUAGOBSA-N 2 0 225.380 1.188 20 0 BDADRP C[N@H+](CCCC[NH3+])Cc1ccc(Cl)nc1 ZINC001235962217 979231146 /nfs/dbraw/zinc/23/11/46/979231146.db2.gz HUSHFAIZYBTRJW-UHFFFAOYSA-N 2 0 227.739 1.906 20 0 BDADRP CC[C@@H]([NH3+])CN1CC[NH2+]C[C@@H]1c1cccs1 ZINC001236114549 979391053 /nfs/dbraw/zinc/39/10/53/979391053.db2.gz NBUXAYHVHVYQRA-GHMZBOCLSA-N 2 0 239.388 1.432 20 0 BDADRP CC(C)C[C@@](C)(C[NH3+])C(=O)NC[C@@H](C)[NH+](C)C ZINC001341672222 979506416 /nfs/dbraw/zinc/50/64/16/979506416.db2.gz BOEYSCMWTQXKRZ-YPMHNXCESA-N 2 0 243.395 1.064 20 0 BDADRP CCC[N@H+](CCCCO)CCC[NH+](C)C ZINC001236323240 979535511 /nfs/dbraw/zinc/53/55/11/979535511.db2.gz ZNMNWSCBCGPWCC-UHFFFAOYSA-N 2 0 216.369 1.423 20 0 BDADRP C[C@@H]1[NH2+]C[C@H](C)N(C(=O)CCC(C)(C)[NH3+])[C@H]1C ZINC001341763629 979546869 /nfs/dbraw/zinc/54/68/69/979546869.db2.gz FYMKVHFTKRTYMZ-DCAQKATOSA-N 2 0 241.379 1.101 20 0 BDADRP C[NH+]1CC2(C1)CCN(CC[NH+]1CCCC1)CC2 ZINC001278055734 979821067 /nfs/dbraw/zinc/82/10/67/979821067.db2.gz KRXWOVHTGFIFSF-UHFFFAOYSA-N 2 0 237.391 1.110 20 0 BDADRP C[C@H]([NH3+])CN1c2ccccc2[C@H]([NH3+])C1(C)C ZINC001351799835 982393967 /nfs/dbraw/zinc/39/39/67/982393967.db2.gz LNDQQWOSYCLSIB-CABZTGNLSA-N 2 0 219.332 1.632 20 0 BDADRP CCC[C@](C)(CO)[NH2+]CC1CC[NH+](C)CC1 ZINC001351996873 982426858 /nfs/dbraw/zinc/42/68/58/982426858.db2.gz FJNQWNSLCNLJNI-CYBMUJFWSA-N 2 0 228.380 1.469 20 0 BDADRP C[C@H](O)C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC001251973717 983060395 /nfs/dbraw/zinc/06/03/95/983060395.db2.gz IYUGSIWIGPCEST-LBPRGKRZSA-N 2 0 240.391 1.611 20 0 BDADRP CCOC[C@H](O)C[NH2+]CCCC[NH+](CC)CC ZINC001252042599 983108843 /nfs/dbraw/zinc/10/88/43/983108843.db2.gz NTDHKMLGWBPBBA-CYBMUJFWSA-N 2 0 246.395 1.095 20 0 BDADRP COC/C(C)=C\C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC001354710019 983346828 /nfs/dbraw/zinc/34/68/28/983346828.db2.gz OAHHNEVWTDASEU-SVSAJMPUSA-N 2 0 240.391 1.995 20 0 BDADRP CCCCCCN(CC[NH+](C)C)CC[NH+](C)C ZINC001201754815 983459628 /nfs/dbraw/zinc/45/96/28/983459628.db2.gz JSOBIQNKWKBZDY-UHFFFAOYSA-N 2 0 243.439 1.992 20 0 BDADRP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]CC(C)(C)F ZINC001575932722 984139787 /nfs/dbraw/zinc/13/97/87/984139787.db2.gz BUAGHOUHXLQFJE-VHSXEESVSA-N 2 0 202.317 1.855 20 0 BDADRP CCOCC[C@@H](C)[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001172433891 974719060 /nfs/dbraw/zinc/71/90/60/974719060.db2.gz SLLQIFQTWPASGP-CYBMUJFWSA-N 2 0 240.391 1.829 20 0 BDADRP CC(C)OCC[C@H](C)[NH2+]C1CC([NH3+])C1 ZINC001172442129 974802267 /nfs/dbraw/zinc/80/22/67/974802267.db2.gz IEKBBJWUFXIFKQ-WHXUTIOJSA-N 2 0 200.326 1.269 20 0 BDADRP C[NH2+][C@H](C)CCN[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC001331835603 974833200 /nfs/dbraw/zinc/83/32/00/974833200.db2.gz RKVOUMWKYRZVJJ-IJLUTSLNSA-N 2 0 225.380 1.199 20 0 BDADRP CCc1nc(C[NH2+]C2CCC(C[NH3+])CC2)co1 ZINC001329022317 973433978 /nfs/dbraw/zinc/43/39/78/973433978.db2.gz DFXFMJOWBBKMMN-UHFFFAOYSA-N 2 0 237.347 1.844 20 0 BDADRP C[N@@H+]1CC[C@@H](OCC2CC[NH+](C)CC2)C1 ZINC001224449905 973653767 /nfs/dbraw/zinc/65/37/67/973653767.db2.gz KNGKRUHYIAVZOE-GFCCVEGCSA-N 2 0 212.337 1.049 20 0 BDADRP COC(=O)CC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC001256562634 970864286 /nfs/dbraw/zinc/86/42/86/970864286.db2.gz ZCSNWIQRJFBTID-UHFFFAOYSA-N 2 0 242.363 1.402 20 0 BDADRP CC[NH+](CC)C1CCC([N@H+](C)C[C@H](C)N)CC1 ZINC001246982511 973758139 /nfs/dbraw/zinc/75/81/39/973758139.db2.gz XDLCUEBZNHWTLO-HSBZDZAISA-N 2 0 241.423 1.918 20 0 BDADRP CN([C@@H]1CC[N@H+](C)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256628220 970894903 /nfs/dbraw/zinc/89/49/03/970894903.db2.gz WUWYPGFOVNOBBB-RBKKPWLPSA-N 2 0 237.391 1.248 20 0 BDADRP C[N@H+](C1CC1)C1CCC([NH+]2CCOCC2)CC1 ZINC001256688516 970920741 /nfs/dbraw/zinc/92/07/41/970920741.db2.gz CPPJBQCEEVRQSL-UHFFFAOYSA-N 2 0 238.375 1.724 20 0 BDADRP C[NH2+]Cc1cccc(-n2c[nH+]cc2N)c1F ZINC001216220267 970988959 /nfs/dbraw/zinc/98/89/59/970988959.db2.gz MAUCJJLJVHRDSX-UHFFFAOYSA-N 2 0 220.251 1.313 20 0 BDADRP C(=C/C1CC[NH2+]CC1)\c1ncc2c(n1)CC[NH2+]C2 ZINC001243892354 971018220 /nfs/dbraw/zinc/01/82/20/971018220.db2.gz JCAFIJFIGJUHNI-OWOJBTEDSA-N 2 0 244.342 1.135 20 0 BDADRP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC001170506642 971018411 /nfs/dbraw/zinc/01/84/11/971018411.db2.gz ZWKRXVMZIUGTHO-WRWGMCAJSA-N 2 0 240.347 1.188 20 0 BDADRP CCOC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])C1 ZINC001257048301 971073730 /nfs/dbraw/zinc/07/37/30/971073730.db2.gz UCRRSLXKCVIGKF-WHOHXGKFSA-N 2 0 240.347 1.188 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]C2CC3(COC3)C2)CC1 ZINC001257204786 971125410 /nfs/dbraw/zinc/12/54/10/971125410.db2.gz AOLJOMBNDLRLGM-UHFFFAOYSA-N 2 0 238.375 1.628 20 0 BDADRP CCC[C@H](CC)[NH2+]CCC[N@H+](C)CCO ZINC001257251814 971146077 /nfs/dbraw/zinc/14/60/77/971146077.db2.gz BNCIOCIKWSAREA-LBPRGKRZSA-N 2 0 216.369 1.469 20 0 BDADRP CCC[C@@H](CC)[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001257256776 971151887 /nfs/dbraw/zinc/15/18/87/971151887.db2.gz KPCVABJZRHYVMW-CQSZACIVSA-N 2 0 241.423 1.744 20 0 BDADRP COC(C)(C)C[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000404297902 971152856 /nfs/dbraw/zinc/15/28/56/971152856.db2.gz FARLLONXRNDWJT-MNOVXSKESA-N 2 0 214.353 1.471 20 0 BDADRP [NH3+]CCCCCC[N@H+](CCCO)C1CC1 ZINC000404353229 971157366 /nfs/dbraw/zinc/15/73/66/971157366.db2.gz FSCCVFIXVCRZBL-UHFFFAOYSA-N 2 0 214.353 1.352 20 0 BDADRP CCC(CC)[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001257301537 971186798 /nfs/dbraw/zinc/18/67/98/971186798.db2.gz ISADZNMQYUGBMC-UHFFFAOYSA-N 2 0 225.380 1.107 20 0 BDADRP [NH3+][C@@H]1C[C@@H](NCC[NH+]2CCCCC2)C12CCC2 ZINC000405218053 971206345 /nfs/dbraw/zinc/20/63/45/971206345.db2.gz LFDMRAOXUGKMNK-CHWSQXEVSA-N 2 0 237.391 1.332 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2C[C@@H]([NH3+])C23CCC3)CC[N@@H+]1C ZINC000405200767 971208825 /nfs/dbraw/zinc/20/88/25/971208825.db2.gz CPXSMZQDIUPCQD-LPWJVIDDSA-N 2 0 237.391 1.329 20 0 BDADRP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)[C@H](C)O ZINC000405237102 971214408 /nfs/dbraw/zinc/21/44/08/971214408.db2.gz FGDYUZJBMLLUDK-UKKRHICBSA-N 2 0 212.337 1.005 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405230092 971215092 /nfs/dbraw/zinc/21/50/92/971215092.db2.gz QJDOUXXUIYHLMJ-SDDRHHMPSA-N 2 0 226.364 1.397 20 0 BDADRP CCC[C@@H](C)N(CC[NH+](C)C)CC[NH+](C)C ZINC001257320233 971219562 /nfs/dbraw/zinc/21/95/62/971219562.db2.gz HYMDXTUYIYOCKA-CYBMUJFWSA-N 2 0 229.412 1.600 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)[C@@H]1CCCOC1 ZINC000405269933 971226847 /nfs/dbraw/zinc/22/68/47/971226847.db2.gz UDHRQUVDHNKCRF-UMSGYPCISA-N 2 0 238.375 1.661 20 0 BDADRP CC[C@@H]1C[C@H]1C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405253489 971220978 /nfs/dbraw/zinc/22/09/78/971220978.db2.gz LBTZLRHINTXJRO-KXNHARMFSA-N 2 0 208.349 1.892 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]CCCn2cccn2)C12CCC2 ZINC000405242580 971221819 /nfs/dbraw/zinc/22/18/19/971221819.db2.gz CAJJXLFLRLZWAW-RYUDHWBXSA-N 2 0 234.347 1.133 20 0 BDADRP C[C@H](Nc1cc[nH+]c(C2CC2)c1)[C@H]1C[NH2+]CCO1 ZINC001170572873 971224287 /nfs/dbraw/zinc/22/42/87/971224287.db2.gz IERDNVBDSXRSTD-IINYFYTJSA-N 2 0 247.342 1.748 20 0 BDADRP CCOCCCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405289345 971225291 /nfs/dbraw/zinc/22/52/91/971225291.db2.gz XCUQRYGQTPIOIO-VXGBXAGGSA-N 2 0 226.364 1.663 20 0 BDADRP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405287058 971227541 /nfs/dbraw/zinc/22/75/41/971227541.db2.gz FHECCEICSZHGIA-SDDRHHMPSA-N 2 0 240.391 1.643 20 0 BDADRP CS[C@H](C)C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405318364 971229994 /nfs/dbraw/zinc/22/99/94/971229994.db2.gz QFGPJFPRVKGKJV-BBBLOLIVSA-N 2 0 214.378 1.597 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC2(CO)CCCC2)C12CCC2 ZINC000405339742 971236620 /nfs/dbraw/zinc/23/66/20/971236620.db2.gz HHQYPXIIKPWMKA-VXGBXAGGSA-N 2 0 238.375 1.399 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]C2CCC([NH3+])CC2)C12CCC2 ZINC000405332827 971238624 /nfs/dbraw/zinc/23/86/24/971238624.db2.gz FAFPIMWRDKEKCN-HCWSGVFWSA-N 3 0 223.364 1.116 20 0 BDADRP C[C@H](CCO)CC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405322915 971238051 /nfs/dbraw/zinc/23/80/51/971238051.db2.gz VSUUUKKEPLUNKW-TUAOUCFPSA-N 2 0 226.364 1.255 20 0 BDADRP CC1(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CCOCC1 ZINC000405367556 971241903 /nfs/dbraw/zinc/24/19/03/971241903.db2.gz XINLUHDZRWUDHI-RYUDHWBXSA-N 2 0 238.375 1.663 20 0 BDADRP CC[C@H](COC)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405368046 971242251 /nfs/dbraw/zinc/24/22/51/971242251.db2.gz XMVUSVCQPMEJKK-GMTAPVOTSA-N 2 0 212.337 1.271 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2CCCOC2)C12CCC2 ZINC000405373633 971242910 /nfs/dbraw/zinc/24/29/10/971242910.db2.gz ZVMLJLQDOFUXKQ-UTUOFQBUSA-N 2 0 224.348 1.273 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405372252 971250423 /nfs/dbraw/zinc/25/04/23/971250423.db2.gz ZKDXYHSDCMIUEK-RWMBFGLXSA-N 2 0 239.407 1.576 20 0 BDADRP C[C@H](CC[NH+](C)C)N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405416443 971256564 /nfs/dbraw/zinc/25/65/64/971256564.db2.gz OMUOUJMRMOFALP-UTUOFQBUSA-N 2 0 225.380 1.186 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCO2)C12CCC2 ZINC000405506320 971263442 /nfs/dbraw/zinc/26/34/42/971263442.db2.gz RXYURRRVNDAPGO-HBNTYKKESA-N 2 0 210.321 1.025 20 0 BDADRP CC[NH+]1C[C@H]2C[NH+](C3CCCC3)C[C@@H]2C1 ZINC001257354598 971264431 /nfs/dbraw/zinc/26/44/31/971264431.db2.gz JVAZAEWFKCKFLN-RYUDHWBXSA-N 2 0 208.349 1.813 20 0 BDADRP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](C1CCCC1)C2 ZINC001257354381 971266641 /nfs/dbraw/zinc/26/66/41/971266641.db2.gz CMDAPJSCPFPSMN-DGCLKSJQSA-N 2 0 208.349 1.813 20 0 BDADRP CCCCOC(=O)CC[C@H](C)[NH2+]C[C@@H](C)C[NH3+] ZINC001257381148 971296440 /nfs/dbraw/zinc/29/64/40/971296440.db2.gz JCEIZUXDCBSVKJ-RYUDHWBXSA-N 2 0 244.379 1.683 20 0 BDADRP C[C@H]1[C@H](C)OC[C@H]1[NH2+]CC(C)(C)C[NH+](C)C ZINC000405712789 971297780 /nfs/dbraw/zinc/29/77/80/971297780.db2.gz GUKMMQQBDHDRPY-SDDRHHMPSA-N 2 0 228.380 1.587 20 0 BDADRP C[C@@H]1OC[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)[C@@H]1C ZINC000405712787 971298184 /nfs/dbraw/zinc/29/81/84/971298184.db2.gz GUKMMQQBDHDRPY-GRYCIOLGSA-N 2 0 228.380 1.587 20 0 BDADRP C[C@]1([NH3+])CCN(Cc2c[nH]c3ncccc23)C1 ZINC000405782006 971308245 /nfs/dbraw/zinc/30/82/45/971308245.db2.gz DLXKGJAAOBTGSC-ZDUSSCGKSA-N 2 0 230.315 1.486 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC001329756251 971326144 /nfs/dbraw/zinc/32/61/44/971326144.db2.gz ZDIRJBKHEKPOLE-RDBSUJKOSA-N 2 0 237.391 1.060 20 0 BDADRP C[NH2+][C@@H](CCCC[NH3+])c1nnc([C@@H]2C[C@@H]2C)o1 ZINC001217704127 971345588 /nfs/dbraw/zinc/34/55/88/971345588.db2.gz SUWLESWPBPQQMX-AEJSXWLSSA-N 2 0 238.335 1.583 20 0 BDADRP C[C@H]1C[C@H]1c1nnc(C[C@@H]([NH3+])CCCC[NH3+])o1 ZINC001217716948 971353001 /nfs/dbraw/zinc/35/30/01/971353001.db2.gz DJDJOIJMNMRWRY-LPEHRKFASA-N 2 0 238.335 1.192 20 0 BDADRP C[C@H]1C[C@H]1c1nnc([C@@](C)([NH3+])CCCC[NH3+])o1 ZINC001217755694 971384639 /nfs/dbraw/zinc/38/46/39/971384639.db2.gz LHQNRRDHAHZEGV-SBMIAAHKSA-N 2 0 238.335 1.496 20 0 BDADRP F[C@@H]1C[NH2+]CCC[C@H]1OC[C@H]1CCC[NH2+]C1 ZINC001217765948 971389166 /nfs/dbraw/zinc/38/91/66/971389166.db2.gz PNXPQONYYGLEAP-QJPTWQEYSA-N 2 0 230.327 1.093 20 0 BDADRP C(CO[C@@H]1CCC[NH2+]C1)CC1CC[NH2+]CC1 ZINC001217768706 971393499 /nfs/dbraw/zinc/39/34/99/971393499.db2.gz WXFAXTIRZZXVCI-CYBMUJFWSA-N 2 0 226.364 1.535 20 0 BDADRP C[NH2+][C@H]1C[C@H](OCC[C@@H]2CCC[NH2+]C2)C1 ZINC001217765630 971394169 /nfs/dbraw/zinc/39/41/69/971394169.db2.gz ZLHABFSCGFTGMC-SRVKXCTJSA-N 2 0 212.337 1.143 20 0 BDADRP C(CO[C@@H]1CCCC[NH2+]C1)CC1CC[NH2+]CC1 ZINC001217773880 971397303 /nfs/dbraw/zinc/39/73/03/971397303.db2.gz RZNGVXJWYYRARC-CQSZACIVSA-N 2 0 240.391 1.925 20 0 BDADRP CC1(CO[C@@H]2C[NH2+]CCC[C@H]2F)CC[NH2+]CC1 ZINC001217774156 971397343 /nfs/dbraw/zinc/39/73/43/971397343.db2.gz NENIONLNMFYYOO-VXGBXAGGSA-N 2 0 244.354 1.483 20 0 BDADRP F[C@H]1C[NH2+]C[C@H]1OCCCCC1CC[NH2+]CC1 ZINC001217776999 971399626 /nfs/dbraw/zinc/39/96/26/971399626.db2.gz JRLKNCBZASBANX-QWHCGFSZSA-N 2 0 244.354 1.483 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1OCCCCCCC[NH3+] ZINC001217790852 971412031 /nfs/dbraw/zinc/41/20/31/971412031.db2.gz URFSRIJIIBXEDC-VXGBXAGGSA-N 2 0 214.353 1.520 20 0 BDADRP [NH3+]CCCCCCO[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001217813700 971416538 /nfs/dbraw/zinc/41/65/38/971416538.db2.gz KTTKATTZPRVYPB-HZSPNIEDSA-N 2 0 240.391 1.910 20 0 BDADRP C(C[C@H]1CC[NH2+]C1)O[C@@H]1CC[C@@H]2CCC[C@H]1[NH2+]2 ZINC001217820747 971417965 /nfs/dbraw/zinc/41/79/65/971417965.db2.gz RYMDYEPIEHHFHM-XJFOESAGSA-N 2 0 238.375 1.676 20 0 BDADRP C(C[C@@H]1CC[NH2+]C1)O[C@H]1CC[C@@H]2CCC[C@H]1[NH2+]2 ZINC001217820741 971418747 /nfs/dbraw/zinc/41/87/47/971418747.db2.gz RYMDYEPIEHHFHM-FQUUOJAGSA-N 2 0 238.375 1.676 20 0 BDADRP C[NH2+][C@H]1CC[C@H](OC[C@@H]2CCC[NH2+]C2)CC1 ZINC001217826524 971421080 /nfs/dbraw/zinc/42/10/80/971421080.db2.gz BVTUXFYOMCFIPL-JHJVBQTASA-N 2 0 226.364 1.533 20 0 BDADRP CCCCC[C@H](C)[NH2+]CCN(C)CC[NH3+] ZINC001257504368 971422354 /nfs/dbraw/zinc/42/23/54/971422354.db2.gz XDJXLZSRHDKLAJ-LBPRGKRZSA-N 2 0 215.385 1.435 20 0 BDADRP C(O[C@@H]1C[C@H]2CC[NH2+][C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC001217848256 971440859 /nfs/dbraw/zinc/44/08/59/971440859.db2.gz HHNHUOMQIPHICT-FDYHWXHSSA-N 2 0 224.348 1.143 20 0 BDADRP C(C[C@@H]1CCC[NH2+]C1)O[C@@H]1CCC[NH2+]C1 ZINC001217861452 971455016 /nfs/dbraw/zinc/45/50/16/971455016.db2.gz VWBKYZDOZHJPPX-NWDGAFQWSA-N 2 0 212.337 1.145 20 0 BDADRP CN1CCC([N@H+](C)[C@@H]2CCCSC2)CC1 ZINC001257667472 971467555 /nfs/dbraw/zinc/46/75/55/971467555.db2.gz DHWOSLKMDCVIPF-GFCCVEGCSA-N 2 0 228.405 1.908 20 0 BDADRP F[C@@H]1CC[NH2+]C[C@@H]1OCCC[C@H]1CCC[NH2+]C1 ZINC001217876254 971473069 /nfs/dbraw/zinc/47/30/69/971473069.db2.gz LKLMPSNRDFICIF-UPJWGTAASA-N 2 0 244.354 1.483 20 0 BDADRP C[N@H+]1C[C@@H]2C[NH+]([C@H]3CCCSC3)C[C@@H]2C1 ZINC001257682293 971486505 /nfs/dbraw/zinc/48/65/05/971486505.db2.gz WQNQFWSIEGGAOO-TUAOUCFPSA-N 2 0 226.389 1.375 20 0 BDADRP CC[NH+]1C[C@@H]2C[NH+]([C@H]3CCCSC3)C[C@H]2C1 ZINC001257683206 971489158 /nfs/dbraw/zinc/48/91/58/971489158.db2.gz ILLUFDFDYKTNNO-UPJWGTAASA-N 2 0 240.416 1.766 20 0 BDADRP [NH3+]Cc1cccc(CO[C@@H]2C[NH2+]CCC23CC3)c1 ZINC001217912211 971511967 /nfs/dbraw/zinc/51/19/67/971511967.db2.gz HRBGDCDWUPPPJR-CQSZACIVSA-N 2 0 246.354 1.804 20 0 BDADRP C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2OCCC[NH3+] ZINC001217932992 971537281 /nfs/dbraw/zinc/53/72/81/971537281.db2.gz GHNWINCDUCUOSZ-GDNZZTSVSA-N 2 0 212.337 1.082 20 0 BDADRP CC1(C)[NH2+][C@@H](CO[C@H]2CC[NH2+]C(C)(C)C2)CO1 ZINC001217936261 971539017 /nfs/dbraw/zinc/53/90/17/971539017.db2.gz DMNQBDHXNXUVBZ-QWRGUYRKSA-N 2 0 242.363 1.258 20 0 BDADRP [NH3+]Cc1ccc(O[C@@H]2CCC[NH2+]C[C@@H]2F)cc1 ZINC001217949757 971541633 /nfs/dbraw/zinc/54/16/33/971541633.db2.gz LZGXWOCXUZRKJF-QWHCGFSZSA-N 2 0 238.306 1.614 20 0 BDADRP CC(C)C[NH+]1CCC(N(C)C[C@@H](C)C[NH3+])CC1 ZINC001258005878 971551426 /nfs/dbraw/zinc/55/14/26/971551426.db2.gz XFRWBUYKLVIWQP-ZDUSSCGKSA-N 2 0 241.423 1.633 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H]1Oc1cccc2c1C[NH2+]C2 ZINC001217967136 971552797 /nfs/dbraw/zinc/55/27/97/971552797.db2.gz BERLNWIWWNCGAM-RNCFNFMXSA-N 2 0 218.300 1.277 20 0 BDADRP C[C@H](Oc1ccc(C[NH3+])cc1)C1CC[NH2+]CC1 ZINC001218008729 971569658 /nfs/dbraw/zinc/56/96/58/971569658.db2.gz HXSRKZFCHHXHHP-NSHDSACASA-N 2 0 234.343 1.912 20 0 BDADRP C[C@H]([NH3+])c1ccc(O[C@H]2C[NH2+]C[C@@H]2F)cc1 ZINC001218022821 971574485 /nfs/dbraw/zinc/57/44/85/971574485.db2.gz ZGFKLPVCFURTAG-UWJYBYFXSA-N 2 0 224.279 1.395 20 0 BDADRP CC(C)C[C@H](C)C[C@H](C)[NH2+]C[C@@H](O)C[NH3+] ZINC001258053528 971578815 /nfs/dbraw/zinc/57/88/15/971578815.db2.gz VJXGASVCDOXPKP-SRVKXCTJSA-N 2 0 216.369 1.356 20 0 BDADRP [NH3+]Cc1cccc(OC[C@H]2CCC3(C[NH2+]C3)O2)c1 ZINC001218074816 971597214 /nfs/dbraw/zinc/59/72/14/971597214.db2.gz VWTUKTUFWLZKGD-CYBMUJFWSA-N 2 0 248.326 1.045 20 0 BDADRP c1cc(O[C@@H]2CC[C@]23CC[NH2+]C3)cc2c1C[NH2+]C2 ZINC001218114875 971600743 /nfs/dbraw/zinc/60/07/43/971600743.db2.gz DKMPZKDPWNHRHV-HUUCEWRRSA-N 2 0 244.338 1.811 20 0 BDADRP CC[N@@H+]1CC[C@@H](Oc2cccc(C[NH3+])c2)C1 ZINC001218213832 971634799 /nfs/dbraw/zinc/63/47/99/971634799.db2.gz KCJATYICQNLTOW-CYBMUJFWSA-N 2 0 220.316 1.618 20 0 BDADRP c1cc2c(c(O[C@@H]3CCC4(C[NH2+]C4)C3)c1)C[NH2+]C2 ZINC001218237828 971648326 /nfs/dbraw/zinc/64/83/26/971648326.db2.gz MHNGLECRPLCFQW-GFCCVEGCSA-N 2 0 244.338 1.811 20 0 BDADRP c1cc2c(c(O[C@H]3C[C@H]4[NH2+]CC[C@H]4C3)c1)C[NH2+]C2 ZINC001218251116 971651263 /nfs/dbraw/zinc/65/12/63/971651263.db2.gz QOCNBWHRPUQESV-ZKYQVNSYSA-N 2 0 244.338 1.809 20 0 BDADRP Nc1[nH]c2ccc(O[C@@H]3CCC[NH2+]C3)cc2[nH+]1 ZINC001218285308 971679094 /nfs/dbraw/zinc/67/90/94/971679094.db2.gz JKXNNMNUMBUULG-SECBINFHSA-N 2 0 232.287 1.276 20 0 BDADRP Cc1c(O[C@H]2C[NH2+][C@@H]2C)ccc2c1CC[NH2+]C2 ZINC001218382329 971760256 /nfs/dbraw/zinc/76/02/56/971760256.db2.gz AUQVIGZALOLWJI-YGRLFVJLSA-N 2 0 232.327 1.380 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1Oc1cccc2c1C[NH2+]C2 ZINC001218411755 971781941 /nfs/dbraw/zinc/78/19/41/971781941.db2.gz AOTMHAZXUDSFJM-MFKMUULPSA-N 2 0 232.327 1.667 20 0 BDADRP CC(C)([NH3+])C(C)(C)[NH2+][C@H]1COC(C)(C)C1 ZINC001172279814 974511897 /nfs/dbraw/zinc/51/18/97/974511897.db2.gz PLXOSLSWXXLILD-SECBINFHSA-N 2 0 214.353 1.659 20 0 BDADRP COCCC[NH+]1CCC([NH2+]CCSC)CC1 ZINC001172244643 974510294 /nfs/dbraw/zinc/51/02/94/974510294.db2.gz WKCFUFXHZWWSRG-UHFFFAOYSA-N 2 0 246.420 1.440 20 0 BDADRP c1cc2c(cc1O[C@H]1[C@@H]3CC[C@H]1[NH2+]C3)CC[NH2+]C2 ZINC001218443004 971819715 /nfs/dbraw/zinc/81/97/15/971819715.db2.gz VPXHQDZRMMYOKW-YUELXQCFSA-N 2 0 244.338 1.462 20 0 BDADRP [NH3+]Cc1ccccc1O[C@@H]1C[NH2+]CCC1(F)F ZINC001218454996 971823875 /nfs/dbraw/zinc/82/38/75/971823875.db2.gz UKVQQQVLSHRZQD-LLVKDONJSA-N 2 0 242.269 1.521 20 0 BDADRP CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001135315179 971867292 /nfs/dbraw/zinc/86/72/92/971867292.db2.gz NEQAOBRSTVAAIV-NEPJUHHUSA-N 2 0 243.395 1.221 20 0 BDADRP C[C@@H](Nc1[nH+]ccc2[nH]ccc21)[C@H]1C[NH2+]CCO1 ZINC001159488189 971912515 /nfs/dbraw/zinc/91/25/15/971912515.db2.gz ATWLAIKLPWSSHT-BXKDBHETSA-N 2 0 246.314 1.352 20 0 BDADRP C[N@H+](CCC[NH+]1CCCC1)[C@@H]1CCCOCC1 ZINC001170827187 971928998 /nfs/dbraw/zinc/92/89/98/971928998.db2.gz JKCQZNCDYNJHSP-CQSZACIVSA-N 2 0 240.391 1.973 20 0 BDADRP [NH3+]C[C@@H]1CCCC[N@H+](Cc2ccc(CO)cc2)C1 ZINC000311137183 971995529 /nfs/dbraw/zinc/99/55/29/971995529.db2.gz KOHCNNNVAUJUFD-HNNXBMFYSA-N 2 0 248.370 1.740 20 0 BDADRP CC[C@@H](C)OCC[C@@H](C)[NH2+]CCSCC[NH3+] ZINC001172344336 974611515 /nfs/dbraw/zinc/61/15/15/974611515.db2.gz UGUQQGLHWOXRDD-VXGBXAGGSA-N 2 0 248.436 1.862 20 0 BDADRP CC(C)C[C@@](C)([NH3+])C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001219587230 972038151 /nfs/dbraw/zinc/03/81/51/972038151.db2.gz WFEAVUGXDJGRCN-GMXVVIOVSA-N 2 0 241.379 1.007 20 0 BDADRP Cc1cc2ncccc2nc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170896341 972048175 /nfs/dbraw/zinc/04/81/75/972048175.db2.gz FJIRADDHHVLCGB-GFCCVEGCSA-N 2 0 245.330 1.374 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1nccc2ccncc21 ZINC001170893721 972051624 /nfs/dbraw/zinc/05/16/24/972051624.db2.gz DKUZCEAQXFAMBP-LLVKDONJSA-N 2 0 231.303 1.065 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1nccc(-c2ccco2)n1 ZINC001170897714 972053198 /nfs/dbraw/zinc/05/31/98/972053198.db2.gz JFCNDTYHJPHOTE-NSHDSACASA-N 2 0 247.302 1.172 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ccnc(C2CCCC2)n1 ZINC001170897604 972055062 /nfs/dbraw/zinc/05/50/62/972055062.db2.gz OPCPJIKJWJNXKG-LLVKDONJSA-N 2 0 249.362 1.570 20 0 BDADRP Cc1ccc(C)c(N[C@@H]([NH3+])CCC[NH3+])c1 ZINC001170897958 972056120 /nfs/dbraw/zinc/05/61/20/972056120.db2.gz AARUADANTSUJSU-GFCCVEGCSA-N 2 0 207.321 1.739 20 0 BDADRP CCc1ncc(Cl)nc1N[C@H]([NH3+])CCC[NH3+] ZINC001170898072 972057123 /nfs/dbraw/zinc/05/71/23/972057123.db2.gz KZQANFWGELLEEV-VIFPVBQESA-N 2 0 243.742 1.128 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1cc(-c2ccco2)ncn1 ZINC001170898784 972058355 /nfs/dbraw/zinc/05/83/55/972058355.db2.gz WDCFRJYHBOCIBE-NSHDSACASA-N 2 0 247.302 1.172 20 0 BDADRP Cc1c(Cl)ccnc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170899298 972058414 /nfs/dbraw/zinc/05/84/14/972058414.db2.gz UEVHLZDLLOQHFS-SECBINFHSA-N 2 0 228.727 1.479 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccccc1OC(F)F ZINC001170899646 972058461 /nfs/dbraw/zinc/05/84/61/972058461.db2.gz KGAAXNHBYUNLNK-JTQLQIEISA-N 2 0 245.273 1.724 20 0 BDADRP CCOc1cc(C)c(N[C@@H]([NH3+])CCC[NH3+])cn1 ZINC001170899645 972059688 /nfs/dbraw/zinc/05/96/88/972059688.db2.gz DDRAZARLBIEVCC-LLVKDONJSA-N 2 0 238.335 1.224 20 0 BDADRP Cc1nc(Cl)c(C)c(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001170898813 972060271 /nfs/dbraw/zinc/06/02/71/972060271.db2.gz PHMMNIDDVSIWRP-MRVPVSSYSA-N 2 0 243.742 1.182 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1cc2cc(F)ccc2cn1 ZINC001170899534 972060973 /nfs/dbraw/zinc/06/09/73/972060973.db2.gz VPBNLFVCHWZNHA-LBPRGKRZSA-N 2 0 248.305 1.810 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1cccc(-n2cccc2)c1 ZINC001170899258 972062216 /nfs/dbraw/zinc/06/22/16/972062216.db2.gz IVKGQATVXBGOEB-CQSZACIVSA-N 2 0 244.342 1.913 20 0 BDADRP Cc1nc2[nH]ccc2cc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170900340 972063149 /nfs/dbraw/zinc/06/31/49/972063149.db2.gz KHKWDPBGAXZKHI-LLVKDONJSA-N 2 0 233.319 1.259 20 0 BDADRP Cc1ccc(N[C@H]([NH3+])CCC[NH3+])c2ncccc12 ZINC001170900039 972063291 /nfs/dbraw/zinc/06/32/91/972063291.db2.gz HMDNGTPMHTXVHA-ZDUSSCGKSA-N 2 0 244.342 1.979 20 0 BDADRP CCc1nc2cc(N[C@H]([NH3+])CCC[NH3+])ccc2o1 ZINC001170900478 972065437 /nfs/dbraw/zinc/06/54/37/972065437.db2.gz USXPQQXAILJLHU-LBPRGKRZSA-N 2 0 248.330 1.826 20 0 BDADRP CCc1ccc(N[C@H]([NH3+])CCC[NH3+])nc1 ZINC001170901111 972067758 /nfs/dbraw/zinc/06/77/58/972067758.db2.gz WPKHRSFAVNRYLA-JTQLQIEISA-N 2 0 208.309 1.080 20 0 BDADRP Cc1cc(N[C@H]([NH3+])CCC[NH3+])ccc1N(C)C ZINC001170904832 972080902 /nfs/dbraw/zinc/08/09/02/972080902.db2.gz QIHBXGOGICPOCG-ZDUSSCGKSA-N 2 0 236.363 1.497 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])N[C@@H](F)c1ccnc(Cl)c1 ZINC001159784467 972111317 /nfs/dbraw/zinc/11/13/17/972111317.db2.gz JBRDUKWUOSLBHW-VHSXEESVSA-N 2 0 246.717 1.316 20 0 BDADRP Cc1nc2ccccc2c(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001159785788 972112227 /nfs/dbraw/zinc/11/22/27/972112227.db2.gz SSSNZTVJFNDQED-LBPRGKRZSA-N 2 0 245.330 1.374 20 0 BDADRP Cc1cc2[nH]ccc2c(N[C@@H]([NH3+])CCC[NH3+])[nH+]1 ZINC001159785347 972113829 /nfs/dbraw/zinc/11/38/29/972113829.db2.gz PIUQZKFXBPAHAB-LLVKDONJSA-N 3 0 233.319 1.307 20 0 BDADRP CCCCC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246029014 972122263 /nfs/dbraw/zinc/12/22/63/972122263.db2.gz KUZZREQFALRXMS-AVGNSLFASA-N 2 0 246.370 1.689 20 0 BDADRP CC(C)[C@@H]1C[C@H](N[C@H]2CC[C@H](C)[NH2+]C2)CC[NH2+]1 ZINC001246075347 972128771 /nfs/dbraw/zinc/12/87/71/972128771.db2.gz FGNGWMXCSQWLBK-CRWXNKLISA-N 2 0 239.407 1.493 20 0 BDADRP CC[N@@H+]1CC[C@H](NC[C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246079437 972134889 /nfs/dbraw/zinc/13/48/89/972134889.db2.gz FBKPHBFJRQBLID-AVGNSLFASA-N 2 0 225.380 1.058 20 0 BDADRP [NH3+]C1(C[NH2+]C2C[C@@H]3CC(=O)C[C@H]3C2)CCCC1 ZINC001246085656 972141443 /nfs/dbraw/zinc/14/14/43/972141443.db2.gz UTGDYTYFJKDFEK-GHMZBOCLSA-N 2 0 236.359 1.605 20 0 BDADRP C1C[NH+]2CCC1C[C@H](N[C@H]1CCCC[NH2+]C1)C2 ZINC001246091921 972145814 /nfs/dbraw/zinc/14/58/14/972145814.db2.gz RAAYMROMBLYENU-KBPBESRZSA-N 2 0 237.391 1.202 20 0 BDADRP CC(C)([NH3+])CN[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246098162 972151692 /nfs/dbraw/zinc/15/16/92/972151692.db2.gz ADBBHTOAKGLICJ-LBPRGKRZSA-N 2 0 239.407 1.768 20 0 BDADRP Cc1cc(N2CC3(CC[N@H+]3C)C2)cc[nH+]1 ZINC001277064439 974643078 /nfs/dbraw/zinc/64/30/78/974643078.db2.gz KSNQEFNXSDKPBC-UHFFFAOYSA-N 2 0 203.289 1.284 20 0 BDADRP C[C@H](Cc1ccncc1)[NH2+]C[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001246100618 972154575 /nfs/dbraw/zinc/15/45/75/972154575.db2.gz OPLKRJICCQSVCW-GUTXKFCHSA-N 2 0 247.386 1.848 20 0 BDADRP C[NH2+]C1CCC([NH2+]C[C@@H]2C[NH2+]C[C@H](C)C2)CC1 ZINC001246100604 972155736 /nfs/dbraw/zinc/15/57/36/972155736.db2.gz ONZUFNHOPUZLJO-KBHBFKLGSA-N 3 0 239.407 1.352 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](C[NH2+][C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001246101501 972161649 /nfs/dbraw/zinc/16/16/49/972161649.db2.gz QGHVFTWAINXZBQ-OBPIAQAESA-N 2 0 208.349 1.620 20 0 BDADRP CC[C@@H]1C[C@H](NC[C@H]2C[NH2+]CC[C@@H]2C)CC[NH2+]1 ZINC001246111616 972177528 /nfs/dbraw/zinc/17/75/28/972177528.db2.gz KSYQXIARTAISSM-REWJHTLYSA-N 2 0 239.407 1.352 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1C[NH2+]C1CCOCC1 ZINC001246114348 972180467 /nfs/dbraw/zinc/18/04/67/972180467.db2.gz WASOESNIOFFHSZ-QWRGUYRKSA-N 2 0 212.337 1.143 20 0 BDADRP COC1CCC([NH2+]C[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC001246116067 972180643 /nfs/dbraw/zinc/18/06/43/972180643.db2.gz UMCWLMFYVXIENT-MRFVTOPCSA-N 2 0 240.391 1.779 20 0 BDADRP COC1CCC([NH2+]C[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC001246116063 972180705 /nfs/dbraw/zinc/18/07/05/972180705.db2.gz UMCWLMFYVXIENT-IWMBGFJWSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@H]1[NH2+]CCC[C@H]1C[NH2+]C1CCOCC1 ZINC001246114341 972181093 /nfs/dbraw/zinc/18/10/93/972181093.db2.gz WASOESNIOFFHSZ-MNOVXSKESA-N 2 0 212.337 1.143 20 0 BDADRP CC[C@@H]1C[C@H](NC2(C)C[NH2+]C2)C[C@H](CC)[NH2+]1 ZINC001246120394 972182803 /nfs/dbraw/zinc/18/28/03/972182803.db2.gz HJDCNGFODNLRJE-GDNZZTSVSA-N 2 0 225.380 1.247 20 0 BDADRP C[C@H](Cc1ccccn1)[NH2+]C[C@H]1CCC[NH2+][C@@H]1C ZINC001246115379 972183353 /nfs/dbraw/zinc/18/33/53/972183353.db2.gz YPYJWTRUUDOVNE-MGPQQGTHSA-N 2 0 247.386 1.990 20 0 BDADRP C1CC12C[NH2+]C[C@@H]2[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246131428 972188389 /nfs/dbraw/zinc/18/83/89/972188389.db2.gz JWDQGGLXZYBEQF-STQMWFEESA-N 3 0 249.402 1.250 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCc2cccc(O)c2)CC[NH2+]1 ZINC001246156667 972198147 /nfs/dbraw/zinc/19/81/47/972198147.db2.gz BDYCQGXEHVQLPC-AAEUAGOBSA-N 2 0 234.343 1.665 20 0 BDADRP CC[C@H](C)[C@@H]([NH3+])CC(=O)NCC1([NH3+])CCCC1 ZINC001220497149 972232876 /nfs/dbraw/zinc/23/28/76/972232876.db2.gz LTXBFLNGTBLXDN-QWRGUYRKSA-N 2 0 241.379 1.138 20 0 BDADRP C(C[C@H]1CCC[NH2+]C1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246228057 972232756 /nfs/dbraw/zinc/23/27/56/972232756.db2.gz FJABJLGKGGSIEE-HABKJSAYSA-N 3 0 237.391 1.249 20 0 BDADRP C[C@@H]1C[C@H](O)CC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000705284639 957071284 /nfs/dbraw/zinc/07/12/84/957071284.db2.gz CHVBSTNGHBCKCU-DGCLKSJQSA-N 2 0 226.364 1.173 20 0 BDADRP C[C@H]1C[C@@H](N(C(N)=[NH2+])c2ccccc2)CC[NH2+]1 ZINC001246235151 972239967 /nfs/dbraw/zinc/23/99/67/972239967.db2.gz IZGZZLVCAUMZFY-JQWIXIFHSA-N 2 0 232.331 1.527 20 0 BDADRP [NH3+]CC[C@H]1CN([C@H]2CCC[NH2+]C2)c2ccccc21 ZINC001246234474 972241110 /nfs/dbraw/zinc/24/11/10/972241110.db2.gz IJONKEWURHFTCX-STQMWFEESA-N 2 0 245.370 1.691 20 0 BDADRP C[C@@H]1C[C@@H](O)CC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000705393636 957201085 /nfs/dbraw/zinc/20/10/85/957201085.db2.gz KTPCIJGBPHZVSH-KGLIPLIRSA-N 2 0 240.391 1.708 20 0 BDADRP CCOC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246263037 972250991 /nfs/dbraw/zinc/25/09/91/972250991.db2.gz FGXPFHKOKMPBQR-NNYUYHANSA-N 2 0 240.347 1.058 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CC23CC[NH+](CC2)CC3)CC[NH2+]1 ZINC001246263876 972251020 /nfs/dbraw/zinc/25/10/20/972251020.db2.gz LPJDBUFKFZFDBK-STQMWFEESA-N 3 0 237.391 1.202 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC23CC[NH+](CC2)CC3)CC[NH2+]1 ZINC001246263860 972251718 /nfs/dbraw/zinc/25/17/18/972251718.db2.gz LPJDBUFKFZFDBK-CHWSQXEVSA-N 3 0 237.391 1.202 20 0 BDADRP CC(C)C[C@H](C)C[C@@H](C)[NH2+]CCN(C)CC[NH3+] ZINC001246284738 972254984 /nfs/dbraw/zinc/25/49/84/972254984.db2.gz OFNJKGBJSRXEIB-UONOGXRCSA-N 2 0 243.439 1.927 20 0 BDADRP C[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)Cc2ccccc2)C1 ZINC001346190635 957425884 /nfs/dbraw/zinc/42/58/84/957425884.db2.gz INKPCHFOBBROGW-GJZGRUSLSA-N 2 0 248.370 1.131 20 0 BDADRP C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)Cc2ccccc2)C1 ZINC001346190634 957427316 /nfs/dbraw/zinc/42/73/16/957427316.db2.gz INKPCHFOBBROGW-CABCVRRESA-N 2 0 248.370 1.131 20 0 BDADRP CC[NH+](CC)[C@@H]1CCN(Cc2c[nH+]ccc2N)C1 ZINC001209731154 957527862 /nfs/dbraw/zinc/52/78/62/957527862.db2.gz OLVNNKWUZWQCBP-CYBMUJFWSA-N 2 0 248.374 1.410 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@H](C)Cc1cccnc1 ZINC001246313757 972275409 /nfs/dbraw/zinc/27/54/09/972275409.db2.gz KUYBWAIPINTNPX-PWSUYJOCSA-N 2 0 207.321 1.340 20 0 BDADRP C[C@@H]([NH3+])c1cccc(C(=O)N[C@H]2CCC[NH2+]C2)c1 ZINC001220896272 972276469 /nfs/dbraw/zinc/27/64/69/972276469.db2.gz HWNQKMZOLUYFCM-MFKMUULPSA-N 2 0 247.342 1.188 20 0 BDADRP C[C@H]([NH3+])c1cccc(C(=O)N[C@H]2CCC[NH2+]C2)c1 ZINC001220896270 972278631 /nfs/dbraw/zinc/27/86/31/972278631.db2.gz HWNQKMZOLUYFCM-GWCFXTLKSA-N 2 0 247.342 1.188 20 0 BDADRP C[C@@H]1C[C@@H](N[C@@H]2C[NH2+]CCC2(C)C)CC[NH2+]1 ZINC001246324525 972284548 /nfs/dbraw/zinc/28/45/48/972284548.db2.gz FKGQJTJZFNWDSW-GRYCIOLGSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1C[C@@H](N[C@@]23CC[C@@]([NH3+])(C2)CCC3)CC[NH2+]1 ZINC001246332343 972294975 /nfs/dbraw/zinc/29/49/75/972294975.db2.gz IHPRGWJLXNDQKY-RQJABVFESA-N 2 0 237.391 1.521 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246332450 972295800 /nfs/dbraw/zinc/29/58/00/972295800.db2.gz MEURBARZADFRCS-UPJWGTAASA-N 2 0 241.423 1.726 20 0 BDADRP C[C@H]1CC[C@H]([NH2+]C2CCC(CC[NH3+])CC2)CN1 ZINC001246332156 972296414 /nfs/dbraw/zinc/29/64/14/972296414.db2.gz DZRVUPKGFJMNHB-ABXWRUBCSA-N 2 0 239.407 1.624 20 0 BDADRP Cc1cccn2c(CN3CC([NH+](C)C)C3)cnc12 ZINC001136958510 972305624 /nfs/dbraw/zinc/30/56/24/972305624.db2.gz UPXJYQLSHKUUQW-UHFFFAOYSA-N 2 0 244.342 1.389 20 0 BDADRP CO[C@H]1C[C@H]([NH2+][C@@H]2CCC[N@H+](C)CC2)C1 ZINC000706498802 957922606 /nfs/dbraw/zinc/92/26/06/957922606.db2.gz UABKOQZYTVXBCG-IJLUTSLNSA-N 2 0 212.337 1.238 20 0 BDADRP CC1(C)CC[C@H]([NH2+]CCC[NH2+]CCCC[NH3+])C1 ZINC001246457034 972328062 /nfs/dbraw/zinc/32/80/62/972328062.db2.gz MDKMLWBRTNZDQI-ZDUSSCGKSA-N 3 0 241.423 1.873 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC[C@H]1[NH3+] ZINC000693392871 958354484 /nfs/dbraw/zinc/35/44/84/958354484.db2.gz LZPHQNXVEWFLHJ-RMPHRYRLSA-N 2 0 244.329 1.947 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000398722662 958372110 /nfs/dbraw/zinc/37/21/10/958372110.db2.gz QGHVFTWAINXZBQ-NWBUJAPZSA-N 2 0 208.349 1.620 20 0 BDADRP C[C@H](CC(F)(F)F)[NH2+]C[C@@H]1CC[NH2+]C[C@@H]1F ZINC001246478773 972349887 /nfs/dbraw/zinc/34/98/87/972349887.db2.gz YOLOAKMWJOZGER-VGMNWLOBSA-N 2 0 242.260 1.865 20 0 BDADRP C[C@H]1CC[C@@H](NCCc2ccncc2)C[NH2+]1 ZINC000398972182 958469198 /nfs/dbraw/zinc/46/91/98/958469198.db2.gz WZJANCXGHXZWFA-WCQYABFASA-N 2 0 219.332 1.354 20 0 BDADRP C[C@H]1CC[C@H](NCCC[NH+]2CCCC2)C[NH2+]1 ZINC000399099077 958505861 /nfs/dbraw/zinc/50/58/61/958505861.db2.gz ZMWWDXNHDSIDIQ-STQMWFEESA-N 2 0 225.380 1.202 20 0 BDADRP C1=CC[C@@H](C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)CC1 ZINC001222080907 972363120 /nfs/dbraw/zinc/36/31/20/972363120.db2.gz QCLSGDWGMWCPLY-CQSZACIVSA-N 2 0 249.402 1.370 20 0 BDADRP CC[C@@H]1C[C@H](NCC2([NH3+])CCC2)C[C@H](CC)[NH2+]1 ZINC001246509910 972370427 /nfs/dbraw/zinc/37/04/27/972370427.db2.gz KPUOMGOGRQOFQT-ITGUQSILSA-N 2 0 239.407 1.767 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CC(C)(C)O1 ZINC000693581602 958870404 /nfs/dbraw/zinc/87/04/04/958870404.db2.gz XYBWPGFKAIFYDK-MXWKQRLJSA-N 2 0 212.337 1.223 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCCO1 ZINC000693587029 958892321 /nfs/dbraw/zinc/89/23/21/958892321.db2.gz XJILQOMZKKPAEF-GRYCIOLGSA-N 2 0 212.337 1.225 20 0 BDADRP Cc1nc(C)c(C[NH2+]C[C@H]2C[C@@H]([NH3+])C2)s1 ZINC000693590484 958901146 /nfs/dbraw/zinc/90/11/46/958901146.db2.gz AGCMACWYVOOTFL-AOOOYVTPSA-N 2 0 225.361 1.587 20 0 BDADRP [NH3+]Cc1cccn1-c1cccc(C[NH3+])c1 ZINC001167589282 958970988 /nfs/dbraw/zinc/97/09/88/958970988.db2.gz FFTAIQODXUASCO-UHFFFAOYSA-N 2 0 201.273 1.395 20 0 BDADRP OCCC[N@@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222154204 972395822 /nfs/dbraw/zinc/39/58/22/972395822.db2.gz IIICUGHKZIRHGC-CQSZACIVSA-N 2 0 240.391 1.615 20 0 BDADRP COCCC[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001327090295 972403192 /nfs/dbraw/zinc/40/31/92/972403192.db2.gz UVNZQFQOFOKIOG-UHFFFAOYSA-N 2 0 226.364 1.489 20 0 BDADRP [NH3+]C12CC(CC[N@@H+]3CCC[C@@]34CCC[NH2+]C4)(C1)C2 ZINC001222230869 972417524 /nfs/dbraw/zinc/41/75/24/972417524.db2.gz FRGWTSOMMNEZJL-YMAMQOFZSA-N 3 0 249.402 1.476 20 0 BDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCC1SCCS1 ZINC000693810807 959398218 /nfs/dbraw/zinc/39/82/18/959398218.db2.gz QGJMJSNIONMYJG-IUCAKERBSA-N 2 0 246.445 1.898 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCOC(F)(F)F)C12CCC2 ZINC000405213134 959416200 /nfs/dbraw/zinc/41/62/00/959416200.db2.gz DQBUPWICOBKETH-HTQZYQBOSA-N 2 0 238.253 1.382 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2ccccn2)C12CCC2 ZINC000405275611 959429293 /nfs/dbraw/zinc/42/92/93/959429293.db2.gz WWMKKTGMMKVSIF-QWHCGFSZSA-N 2 0 231.343 1.484 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC000405309084 959430611 /nfs/dbraw/zinc/43/06/11/959430611.db2.gz ZLGJFERGEBOEOL-JHJVBQTASA-N 2 0 234.343 1.435 20 0 BDADRP C[C@H]1CC[C@H](CO)C[N@@H+]1CC1CC[NH2+]CC1 ZINC000708438671 959434889 /nfs/dbraw/zinc/43/48/89/959434889.db2.gz JTCFSEJADAWCRQ-AAEUAGOBSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H]1[C@@H]([NH2+]CCCC[NH+](C)C)CO[C@H]1C ZINC000405566576 959457981 /nfs/dbraw/zinc/45/79/81/959457981.db2.gz FJBXFCBRXDYLKS-SRVKXCTJSA-N 2 0 214.353 1.341 20 0 BDADRP CC[C@H]([NH3+])CN1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222264851 972432869 /nfs/dbraw/zinc/43/28/69/972432869.db2.gz IPJUUFVTDQLJCQ-QWHCGFSZSA-N 2 0 225.380 1.189 20 0 BDADRP Cc1cc(N(C)C(C)(C)C[NH3+])cc(C)[nH+]1 ZINC000308919761 959540332 /nfs/dbraw/zinc/54/03/32/959540332.db2.gz JVXVMFQMYHBVJK-UHFFFAOYSA-N 2 0 207.321 1.872 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222310452 972437597 /nfs/dbraw/zinc/43/75/97/972437597.db2.gz VXOJUUHHIMGYBI-ZDUSSCGKSA-N 3 0 225.380 1.333 20 0 BDADRP C(C[NH2+]C1CCCCC1)CN1CCC12C[NH2+]C2 ZINC001222303771 972438133 /nfs/dbraw/zinc/43/81/33/972438133.db2.gz QVAZHEDPVYQBGB-UHFFFAOYSA-N 2 0 237.391 1.347 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001246531421 972442801 /nfs/dbraw/zinc/44/28/01/972442801.db2.gz QTXKAOSPFHXHBY-ZIAGYGMSSA-N 3 0 241.423 1.920 20 0 BDADRP CC1CC([NH2+]C[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000300014358 959676533 /nfs/dbraw/zinc/67/65/33/959676533.db2.gz CYERPWFCIOSKDD-TYUFSLCMSA-N 2 0 224.348 1.238 20 0 BDADRP CC1(C)[NH2+][C@H](CO[C@@H]2CC[NH2+]CC2(C)C)CO1 ZINC001217877859 959697566 /nfs/dbraw/zinc/69/75/66/959697566.db2.gz DFWFEOWTKSXTIX-GHMZBOCLSA-N 2 0 242.363 1.116 20 0 BDADRP C[C@H]1[NH2+]C[C@@H]1OCc1ccc2c(c1)CC[NH2+]C2 ZINC001217905832 959735867 /nfs/dbraw/zinc/73/58/67/959735867.db2.gz CDDCQGQOUQFEGM-YGRLFVJLSA-N 2 0 232.327 1.209 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1Oc1ccc(CC[NH3+])cc1 ZINC001218033648 959837778 /nfs/dbraw/zinc/83/77/78/959837778.db2.gz GJVVXAHJVXAKBB-ZWNOBZJWSA-N 2 0 220.316 1.175 20 0 BDADRP C[C@H]1C[C@@H](Oc2ccc3c(c2)C[NH2+]C3)CC[NH2+]1 ZINC001218058745 959852615 /nfs/dbraw/zinc/85/26/15/959852615.db2.gz YXZXJTQZFQTUCQ-HZMBPMFUSA-N 2 0 232.327 1.809 20 0 BDADRP CC(=O)[C@@H]1CCC[N@H+]1CC1CC[NH+](C)CC1 ZINC001207403388 959862139 /nfs/dbraw/zinc/86/21/39/959862139.db2.gz UACCZDZMHWYFOU-ZDUSSCGKSA-N 2 0 224.348 1.382 20 0 BDADRP c1cc(O[C@H]2CCC23C[NH2+]C3)cc2c1C[NH2+]C2 ZINC001218240469 959912998 /nfs/dbraw/zinc/91/29/98/959912998.db2.gz DMRZGEGKZSUQHM-ZDUSSCGKSA-N 2 0 230.311 1.421 20 0 BDADRP C[C@H]1C[N@@H+](C2Cc3ccccc3C2)C[C@H]1C[NH3+] ZINC000708884852 960077288 /nfs/dbraw/zinc/07/72/88/960077288.db2.gz VHXCIGDHIZAEPV-SMDDNHRTSA-N 2 0 230.355 1.680 20 0 BDADRP C(C1CC[NH2+]CC1)[NH+]1CCC2(COC2)CC1 ZINC001207436526 960090748 /nfs/dbraw/zinc/09/07/48/960090748.db2.gz MNWGZPMXFJPOHS-UHFFFAOYSA-N 2 0 224.348 1.098 20 0 BDADRP CC(C)OC1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000695111050 960104018 /nfs/dbraw/zinc/10/40/18/960104018.db2.gz LSPAZQFULDMJDI-OLZOCXBDSA-N 2 0 240.391 1.731 20 0 BDADRP [NH3+]CC(C[NH3+])NCc1cccc2ccccc21 ZINC000695327294 960202262 /nfs/dbraw/zinc/20/22/62/960202262.db2.gz ALOMGGWUPHWPSA-UHFFFAOYSA-N 2 0 229.327 1.215 20 0 BDADRP C[NH2+]CCNc1cc(N2CCCCC2)cc[nH+]1 ZINC001167722904 960219564 /nfs/dbraw/zinc/21/95/64/960219564.db2.gz FMNSVXZPTVRFPH-UHFFFAOYSA-N 2 0 234.347 1.703 20 0 BDADRP C[NH2+]CCNc1cc[nH+]cc1-c1ccccc1 ZINC001167723894 960233553 /nfs/dbraw/zinc/23/35/53/960233553.db2.gz FGFWLGQQJSBLML-UHFFFAOYSA-N 2 0 227.311 1.802 20 0 BDADRP COC1CC[NH+](CCC2CC[NH+](C)CC2)CC1 ZINC001207479202 960345008 /nfs/dbraw/zinc/34/50/08/960345008.db2.gz DHOUDGCPOCSECX-UHFFFAOYSA-N 2 0 240.391 1.829 20 0 BDADRP CN1CCC[N@H+](CCC2CC[NH+](C)CC2)CC1 ZINC001207479641 960352510 /nfs/dbraw/zinc/35/25/10/960352510.db2.gz LGWDSBJUIWZIPZ-UHFFFAOYSA-N 2 0 239.407 1.356 20 0 BDADRP C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H](O)C2)CC1 ZINC001207479550 960354303 /nfs/dbraw/zinc/35/43/03/960354303.db2.gz JZKKOMDJLJTHGV-CQSZACIVSA-N 2 0 240.391 1.565 20 0 BDADRP COC[C@@H]1CCC[N@@H+]1CCC1CC[NH+](C)CC1 ZINC001207479718 960357107 /nfs/dbraw/zinc/35/71/07/960357107.db2.gz LSWBZNJAVVTCEO-AWEZNQCLSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCOc2ccccc2)CC[NH2+]1 ZINC000709290209 960477330 /nfs/dbraw/zinc/47/73/30/960477330.db2.gz MFOMWJKNQZUFJN-QWHCGFSZSA-N 2 0 234.343 1.796 20 0 BDADRP C[C@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCOC1 ZINC000709394153 960553027 /nfs/dbraw/zinc/55/30/27/960553027.db2.gz YIXJBCOIQNGEFL-ZGVCCVRISA-N 2 0 224.348 1.286 20 0 BDADRP C[C@H]1C[C@H]([N@H+](CCO)Cc2ccccc2)CC[NH2+]1 ZINC000709478724 960618319 /nfs/dbraw/zinc/61/83/19/960618319.db2.gz ADVRMIHSSBGIKA-DZGCQCFKSA-N 2 0 248.370 1.621 20 0 BDADRP CCC[N@H+]1C[C@H]2CN(Cc3cn[nH]c3)C[C@H]2C1 ZINC001203101504 960911861 /nfs/dbraw/zinc/91/18/61/960911861.db2.gz RFGITNWGFYDQNQ-BETUJISGSA-N 2 0 234.347 1.183 20 0 BDADRP [NH2+]=C(NCCCC[NH3+])Nc1ccc2ocnc2c1 ZINC001167879669 961458703 /nfs/dbraw/zinc/45/87/03/961458703.db2.gz YIMXDULFMWQFIC-UHFFFAOYSA-N 2 0 247.302 1.503 20 0 BDADRP C([NH2+][C@H]1C[C@H]2C[C@H]2C1)C12CC[NH+](CC1)CC2 ZINC001167902135 961647914 /nfs/dbraw/zinc/64/79/14/961647914.db2.gz BQDQNXSRWZTBPR-ITGUQSILSA-N 2 0 220.360 1.860 20 0 BDADRP C[N@@H+]1CCCN(CC[NH2+][C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167902336 961661275 /nfs/dbraw/zinc/66/12/75/961661275.db2.gz FGFNVXJZDZEYQF-WDNDVIMCSA-N 2 0 237.391 1.012 20 0 BDADRP CC[NH2+]CCN1CCCC2(CC[NH2+]CC2)C1 ZINC001204727628 962078813 /nfs/dbraw/zinc/07/88/13/962078813.db2.gz GQWLDGLGKCFPJF-UHFFFAOYSA-N 2 0 225.380 1.062 20 0 BDADRP Nc1cccc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c1 ZINC001206631848 962123792 /nfs/dbraw/zinc/12/37/92/962123792.db2.gz AZQCJQFJOSRSJR-CYBMUJFWSA-N 2 0 233.359 1.830 20 0 BDADRP Cc1c[nH]c(=O)c(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c1 ZINC001206632361 962124848 /nfs/dbraw/zinc/12/48/48/962124848.db2.gz JTAXJZWCIXBDMI-LBPRGKRZSA-N 2 0 249.358 1.656 20 0 BDADRP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1cc[nH+]c(N)n1 ZINC001155033047 962945215 /nfs/dbraw/zinc/94/52/15/962945215.db2.gz RHYNFHNXGMZPLN-NXEZZACHSA-N 2 0 235.335 1.106 20 0 BDADRP Cc1c[nH+]c(NC[C@H]2C[NH2+][C@H](C)C2)cc1N ZINC001155101796 962979526 /nfs/dbraw/zinc/97/95/26/962979526.db2.gz KAROOHTUQMUYGM-NXEZZACHSA-N 2 0 220.320 1.382 20 0 BDADRP Cc1cc[nH+]c(NCC[C@@H]2CCOC23C[NH2+]C3)c1 ZINC001155471666 963082318 /nfs/dbraw/zinc/08/23/18/963082318.db2.gz RMVZQNWCQFDIEA-GFCCVEGCSA-N 2 0 247.342 1.571 20 0 BDADRP C[n+]1cccc(N(C(N)=[NH2+])c2ccc(F)cc2)c1 ZINC001167994636 963179624 /nfs/dbraw/zinc/17/96/24/963179624.db2.gz OZGLFTPIQFRCTK-UHFFFAOYSA-N 2 0 245.281 1.682 20 0 BDADRP COC[C@H]1CCC[N@@H+]1CCCCCC[NH3+] ZINC000696592691 963268797 /nfs/dbraw/zinc/26/87/97/963268797.db2.gz DZPRHQZZXLPDIC-GFCCVEGCSA-N 2 0 214.353 1.616 20 0 BDADRP COC[C@H]1CCCC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000696600413 963278746 /nfs/dbraw/zinc/27/87/46/963278746.db2.gz LDOKEBVBKDBYEA-RDBSUJKOSA-N 2 0 240.391 1.590 20 0 BDADRP CSc1ccnc(N(C)C2CC[NH2+]CC2)c1 ZINC001156180838 963278924 /nfs/dbraw/zinc/27/89/24/963278924.db2.gz OTXKNXVBJBXGIL-UHFFFAOYSA-N 2 0 237.372 1.992 20 0 BDADRP Cc1[nH+]c(N2CC[NH2+][C@H](C)C2)cc2[nH]ccc21 ZINC001156692590 963438822 /nfs/dbraw/zinc/43/88/22/963438822.db2.gz UPKQEAIXWLCDQU-SECBINFHSA-N 2 0 230.315 1.669 20 0 BDADRP [NH2+]=C(NCCCC[NH3+])Nc1ccc(Cl)cn1 ZINC001157094563 963530816 /nfs/dbraw/zinc/53/08/16/963530816.db2.gz TZBCULIYGBIZEE-UHFFFAOYSA-N 2 0 241.726 1.410 20 0 BDADRP C[C@H]1[C@@H]([NH3+])CCCN1c1[nH+]ccc2c1ccn2C ZINC001157731276 963710367 /nfs/dbraw/zinc/71/03/67/963710367.db2.gz ASNLWIFUIYPYBD-JQWIXIFHSA-N 2 0 244.342 1.889 20 0 BDADRP Cc1c[nH+]c(N2CCC[C@@H]([NH3+])[C@H]2C)cc1N ZINC001157742928 963712513 /nfs/dbraw/zinc/71/25/13/963712513.db2.gz GIRYPBOAYLHLOP-NXEZZACHSA-N 2 0 220.320 1.288 20 0 BDADRP C[C@H]1C[C@H]([NH+]2CCC([NH+](C)C)CC2)CCO1 ZINC001168102550 963714299 /nfs/dbraw/zinc/71/42/99/963714299.db2.gz GMCVBKXNTGSBQL-WCQYABFASA-N 2 0 226.364 1.580 20 0 BDADRP CCC1(Nc2cc(C[NH+](C)C)ccn2)C[NH2+]C1 ZINC001157787779 963725106 /nfs/dbraw/zinc/72/51/06/963725106.db2.gz OJMKNPRAYKTQLZ-UHFFFAOYSA-N 2 0 234.347 1.307 20 0 BDADRP C[NH+](C)[C@H]1CCCC[C@@H]1Nc1cc(N)cc[nH+]1 ZINC001157795492 963729066 /nfs/dbraw/zinc/72/90/66/963729066.db2.gz MOKKSZUHJOQSFK-RYUDHWBXSA-N 2 0 234.347 1.949 20 0 BDADRP Cn1ccc2c1cc[nH+]c2N1CC[C@@](F)(C[NH3+])C1 ZINC001157812997 963733529 /nfs/dbraw/zinc/73/35/29/963733529.db2.gz NTGVLIHLGNRGRE-CYBMUJFWSA-N 2 0 248.305 1.450 20 0 BDADRP C[C@@H]1C[C@@H]([N@H+](C)CCC[NH+](C)C)CCO1 ZINC001168107864 963741155 /nfs/dbraw/zinc/74/11/55/963741155.db2.gz YWMBPLQWIAQGAE-NEPJUHHUSA-N 2 0 214.353 1.437 20 0 BDADRP C[C@H]1C[C@@H]([NH+]2CCC(C[NH+](C)C)CC2)CCO1 ZINC001168129302 963807335 /nfs/dbraw/zinc/80/73/35/963807335.db2.gz XAQOXVTZZULCFV-JSGCOSHPSA-N 2 0 240.391 1.828 20 0 BDADRP Cc1nc(N2C[C@@H](C)[NH2+][C@@H](C)C2)cc(N(C)C)[nH+]1 ZINC001158173027 963818450 /nfs/dbraw/zinc/81/84/50/963818450.db2.gz NKWANEVRKWNGBJ-AOOOYVTPSA-N 2 0 249.362 1.038 20 0 BDADRP C[C@@H]1CN(c2[nH+]ccc3[nH]ccc32)C[C@@H](C)[NH2+]1 ZINC001158172595 963818688 /nfs/dbraw/zinc/81/86/88/963818688.db2.gz JGSVKWXOJMWXCR-NXEZZACHSA-N 2 0 230.315 1.750 20 0 BDADRP Cc1cnc(-n2ccc([C@H](C)[NH3+])n2)c(C[NH3+])c1 ZINC001158351031 963854297 /nfs/dbraw/zinc/85/42/97/963854297.db2.gz SBBNIJKBUXMTAC-VIFPVBQESA-N 2 0 231.303 1.054 20 0 BDADRP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H](O)C[NH3+] ZINC001168150153 963869520 /nfs/dbraw/zinc/86/95/20/963869520.db2.gz RHKHAXQRKNZWSN-CABZTGNLSA-N 2 0 242.750 1.180 20 0 BDADRP CN(C)c1cc[nH+]c(N2CCC[C@](C)(C[NH3+])C2)c1 ZINC001158678366 963900181 /nfs/dbraw/zinc/90/01/81/963900181.db2.gz GSUPFIRORMIARY-CQSZACIVSA-N 2 0 248.374 1.713 20 0 BDADRP CO[C@@H]1CN(c2[nH+]c(C)cc3[nH]ccc32)C[C@@H]1[NH3+] ZINC001158710745 963905038 /nfs/dbraw/zinc/90/50/38/963905038.db2.gz JSNVUJXNAHEXAY-CMPLNLGQSA-N 2 0 246.314 1.034 20 0 BDADRP CN(c1[nH+]ccc2c1ccn2C)C(C)(C)C[NH3+] ZINC001159054820 963988663 /nfs/dbraw/zinc/98/86/63/963988663.db2.gz RFDSCJFFZKZRIZ-UHFFFAOYSA-N 2 0 232.331 1.747 20 0 BDADRP Cc1[nH]c2ccc(N[C@H]3C[NH2+]CC[C@H]3F)cc2[nH+]1 ZINC001168226693 964005674 /nfs/dbraw/zinc/00/56/74/964005674.db2.gz MYPMDJZLCMMHDW-MFKMUULPSA-N 2 0 248.305 1.983 20 0 BDADRP c1nc2c(cc1NC1=CCC[NH2+]C1)C[NH2+]CC2 ZINC001159141198 964007641 /nfs/dbraw/zinc/00/76/41/964007641.db2.gz YJOLEDATVMQEIK-UHFFFAOYSA-N 2 0 230.315 1.016 20 0 BDADRP C(=CC1CC[NH2+]CC1)Nc1cc[nH+]c2c1CCC2 ZINC001159227909 964024534 /nfs/dbraw/zinc/02/45/34/964024534.db2.gz ODALAFPFESXWFW-UXBLZVDNSA-N 2 0 243.354 1.917 20 0 BDADRP Cc1c[nH+]c(N[C@@H](C)[C@H]2C[NH2+]CCO2)c(C)c1 ZINC001159494906 964110188 /nfs/dbraw/zinc/11/01/88/964110188.db2.gz BBSDWQRTUJGVSL-NWDGAFQWSA-N 2 0 235.331 1.487 20 0 BDADRP [NH3+]CCc1ccc(NC2=CCC[NH2+]CC2)cc1 ZINC001159640623 964133603 /nfs/dbraw/zinc/13/36/03/964133603.db2.gz WMSFZDOGSMYDJH-UHFFFAOYSA-N 2 0 231.343 1.867 20 0 BDADRP C[C@@H]([NH3+])CCNc1cc(-n2ccnc2)cc[nH+]1 ZINC001159778583 964191709 /nfs/dbraw/zinc/19/17/09/964191709.db2.gz MXAMXPVQTSGXSU-SNVBAGLBSA-N 2 0 231.303 1.417 20 0 BDADRP C[C@@H]([NH3+])CCNc1ccc(C[N@H+](C)C2CC2)cn1 ZINC001159779198 964191804 /nfs/dbraw/zinc/19/18/04/964191804.db2.gz WIESIAHZXIQMSO-LLVKDONJSA-N 2 0 248.374 1.825 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc(Cl)cn1 ZINC001159780087 964193962 /nfs/dbraw/zinc/19/39/62/964193962.db2.gz PSDCOKGCNYPNFI-QMMMGPOBSA-N 2 0 214.700 1.171 20 0 BDADRP C[C@@H]([NH3+])CCNc1ncccc1C[NH+]1CCCC1 ZINC001159780061 964197466 /nfs/dbraw/zinc/19/74/66/964197466.db2.gz OXFZAHKSSVVLJK-GFCCVEGCSA-N 2 0 248.374 1.827 20 0 BDADRP Cc1[nH]c2ncnc(N[C@H]([NH3+])CCC[NH3+])c2c1C ZINC001159786078 964198987 /nfs/dbraw/zinc/19/89/87/964198987.db2.gz VVRYLILFKYZQPF-VIFPVBQESA-N 2 0 248.334 1.010 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ncc(F)c2cc[nH]c21 ZINC001159786958 964202639 /nfs/dbraw/zinc/20/26/39/964202639.db2.gz OKGFPQUJKRZJSR-SECBINFHSA-N 2 0 237.282 1.138 20 0 BDADRP c1cc2c(cc1NC1=CC[NH2+]CC1)C[NH2+]CCO2 ZINC001159791845 964205568 /nfs/dbraw/zinc/20/55/68/964205568.db2.gz WGPLVGKDBMDMCU-UHFFFAOYSA-N 2 0 245.326 1.458 20 0 BDADRP C[NH+](C)Cc1ccnc(NCC(C)(C)[NH3+])c1 ZINC001160031768 964241054 /nfs/dbraw/zinc/24/10/54/964241054.db2.gz IDJCTVLGNFZNLW-UHFFFAOYSA-N 2 0 222.336 1.292 20 0 BDADRP Nc1cc[nH+]c(Nc2ccc(C[NH3+])nc2)c1 ZINC001160397202 964289003 /nfs/dbraw/zinc/28/90/03/964289003.db2.gz RXMTXKONCLWAAL-UHFFFAOYSA-N 2 0 215.260 1.261 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@H]2CC[C@@H](O)CC2)CC1 ZINC001168298247 964386719 /nfs/dbraw/zinc/38/67/19/964386719.db2.gz HWYRHOZZTUMZJC-LCKMOKORSA-N 2 0 240.391 1.752 20 0 BDADRP C[NH+](C)C1CCC([NH2+]C2(CF)CC2)CC1 ZINC001168290657 964387858 /nfs/dbraw/zinc/38/78/58/964387858.db2.gz VEWICKJNKOFFFE-UHFFFAOYSA-N 2 0 214.328 1.951 20 0 BDADRP Cc1cnc(C[NH3+])n1C1CCC([NH+](C)C)CC1 ZINC001168298156 964391287 /nfs/dbraw/zinc/39/12/87/964391287.db2.gz BGWYQHLQRHNOMC-UHFFFAOYSA-N 2 0 236.363 1.696 20 0 BDADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cncnc1 ZINC001168298235 964392013 /nfs/dbraw/zinc/39/20/13/964392013.db2.gz GXKFBRXJHMVPNK-LMWSTFAQSA-N 2 0 248.374 2.000 20 0 BDADRP CC(C)[NH+]1CC(Nc2cc(C[NH3+])ccn2)C1 ZINC001168311800 964411810 /nfs/dbraw/zinc/41/18/10/964411810.db2.gz OUQSSISOFURJSV-UHFFFAOYSA-N 2 0 220.320 1.045 20 0 BDADRP CO[C@H]1C[N@@H+](C2CCC([NH+](C)C)CC2)C[C@@H]1F ZINC001168315699 964422591 /nfs/dbraw/zinc/42/25/91/964422591.db2.gz ZZAAHOROOPAHLE-TYUFSLCMSA-N 2 0 244.354 1.528 20 0 BDADRP COC1(C)C[NH+](C2CCC([NH+](C)C)CC2)C1 ZINC001168315056 964424991 /nfs/dbraw/zinc/42/49/91/964424991.db2.gz QJTMXTBCJKZVNV-UHFFFAOYSA-N 2 0 226.364 1.580 20 0 BDADRP C[NH+](C)C1CCC([NH+]2CCSCC2)CC1 ZINC001168319070 964435164 /nfs/dbraw/zinc/43/51/64/964435164.db2.gz NIEPLQDMJIDFSM-UHFFFAOYSA-N 2 0 228.405 1.908 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2CCn3nccc3C2)CC1 ZINC001168331122 964466672 /nfs/dbraw/zinc/46/66/72/964466672.db2.gz ZLNLBQMHEGJFJI-UHFFFAOYSA-N 2 0 248.374 1.572 20 0 BDADRP CCCOCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168356144 964513231 /nfs/dbraw/zinc/51/32/31/964513231.db2.gz LYMHAWHQNAQWGP-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP CN1CC(C[NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC001168359543 964543760 /nfs/dbraw/zinc/54/37/60/964543760.db2.gz BPJHSXRVCWWKRH-UHFFFAOYSA-N 2 0 237.391 1.012 20 0 BDADRP CCN(CCC[NH+](C)C)CCC[NH+](C)C ZINC000200044815 964560508 /nfs/dbraw/zinc/56/05/08/964560508.db2.gz WXKWNYKJONSJQF-UHFFFAOYSA-N 2 0 215.385 1.212 20 0 BDADRP C[C@H](CC[NH2+]C1CCOCC1)[NH+](C)C ZINC000697869450 964594011 /nfs/dbraw/zinc/59/40/11/964594011.db2.gz HGWNSBVCHQPZBT-SNVBAGLBSA-N 2 0 200.326 1.095 20 0 BDADRP C[C@H](CC[NH2+]C[C@@H]1CCSC1)[NH+](C)C ZINC000697873160 964600692 /nfs/dbraw/zinc/60/06/92/964600692.db2.gz UCHPWALQMLUFQY-MNOVXSKESA-N 2 0 216.394 1.669 20 0 BDADRP C[C@@H](CC[NH2+]C[C@@H]1CCC=CO1)[NH+](C)C ZINC000697877621 964602070 /nfs/dbraw/zinc/60/20/70/964602070.db2.gz CCZZVLPGPCBZLG-RYUDHWBXSA-N 2 0 212.337 1.609 20 0 BDADRP C[NH+](C)CCNc1c[nH+]cc2cc[nH]c21 ZINC001161668288 964674538 /nfs/dbraw/zinc/67/45/38/964674538.db2.gz BFWSWROINMEGEK-UHFFFAOYSA-N 2 0 204.277 1.536 20 0 BDADRP C[C@H](CC[NH2+][C@H]1CCOC(C)(C)C1)[NH+](C)C ZINC000697908899 964675957 /nfs/dbraw/zinc/67/59/57/964675957.db2.gz NVHXFAXEQJHNIL-NEPJUHHUSA-N 2 0 228.380 1.874 20 0 BDADRP C[NH+](C)CCNc1cc[nH+]c(C2CC2)c1 ZINC001161672886 964676187 /nfs/dbraw/zinc/67/61/87/964676187.db2.gz MOVNQNKEHQKMIS-UHFFFAOYSA-N 2 0 205.305 1.933 20 0 BDADRP C[NH+](C)CCCCNc1cc(N)c(F)c[nH+]1 ZINC001161728776 964715744 /nfs/dbraw/zinc/71/57/44/964715744.db2.gz UVIMCYATBGZBBF-UHFFFAOYSA-N 2 0 226.299 1.557 20 0 BDADRP CC(C)(C)[NH+]1CC(Nc2cccc(N)[nH+]2)C1 ZINC001162221350 964879995 /nfs/dbraw/zinc/87/99/95/964879995.db2.gz KBBNYRJVELSXTI-UHFFFAOYSA-N 2 0 220.320 1.558 20 0 BDADRP CC(C)(C)[NH+]1CC(OCCC[NH+]2CCCC2)C1 ZINC001224743471 964916410 /nfs/dbraw/zinc/91/64/10/964916410.db2.gz AAACNFHLGZHKNK-UHFFFAOYSA-N 2 0 240.391 1.972 20 0 BDADRP Nc1cc(N[C@@H]2CCC[C@H]([NH3+])C2)[nH+]cc1F ZINC001162392607 964952059 /nfs/dbraw/zinc/95/20/59/964952059.db2.gz HQYHCPJSBAIVDI-JGVFFNPUSA-N 2 0 224.283 1.485 20 0 BDADRP Cc1ccc(N[C@H]2CCC[C@@H]([NH3+])C2)[nH+]c1N ZINC001162395122 964957472 /nfs/dbraw/zinc/95/74/72/964957472.db2.gz SNCUIJFOSAEDFA-ZJUUUORDSA-N 2 0 220.320 1.654 20 0 BDADRP [NH3+][C@H]1CCC[C@@H](Nc2cnc3c(c2)C[NH2+]CC3)C1 ZINC001162401872 964958811 /nfs/dbraw/zinc/95/88/11/964958811.db2.gz MZMFXBHJRJOSQP-NWDGAFQWSA-N 2 0 246.358 1.409 20 0 BDADRP C/C(=C\C=C\N)[NH2+]C[C@@H]1CCC[NH2+]C[C@H]1C ZINC001162459162 964985456 /nfs/dbraw/zinc/98/54/56/964985456.db2.gz XXLHBFGWQWBQMD-IDFPSZDSSA-N 2 0 223.364 1.588 20 0 BDADRP [NH3+]C[C@@H]1CCCCN1C[C@@H]([NH3+])c1ccccc1 ZINC001204925203 965090267 /nfs/dbraw/zinc/09/02/67/965090267.db2.gz NGIDIGYWLDCCEP-UONOGXRCSA-N 2 0 233.359 1.500 20 0 BDADRP CC(C)(C)C(=[NH2+])Nc1ccc(OC2C[NH2+]C2)cn1 ZINC001162666096 965101462 /nfs/dbraw/zinc/10/14/62/965101462.db2.gz ZVMWFHGOBGLZJW-UHFFFAOYSA-N 2 0 248.330 1.867 20 0 BDADRP C[C@H]1[NH2+]CC[C@H]1Nc1ccc([C@H]2CCC[NH2+]2)cn1 ZINC001162666393 965102630 /nfs/dbraw/zinc/10/26/30/965102630.db2.gz DRHVCKHFLOHNBU-RAIGVLPGSA-N 2 0 246.358 1.668 20 0 BDADRP C1=C[C@H](Nc2ccc3c([nH+]2)CCC3)[C@@H]2C[NH2+]C[C@@H]12 ZINC001162794486 965183726 /nfs/dbraw/zinc/18/37/26/965183726.db2.gz PNJNNGGDCRIOTP-BZPMIXESSA-N 2 0 241.338 1.756 20 0 BDADRP Cc1ccc(C)c(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)[nH+]1 ZINC001163095138 965253394 /nfs/dbraw/zinc/25/33/94/965253394.db2.gz YLJYHRKMEYNDPU-JHJVBQTASA-N 2 0 247.342 1.345 20 0 BDADRP C[NH+](C)CC1CCC(Nc2cc(N)ncn2)CC1 ZINC001163301449 965325426 /nfs/dbraw/zinc/32/54/26/965325426.db2.gz BXXHVTBXNCKTIH-UHFFFAOYSA-N 2 0 249.362 1.591 20 0 BDADRP Cn1ccc2c1cc[nH+]c2NCC1([NH3+])CCC1 ZINC001163321334 965328914 /nfs/dbraw/zinc/32/89/14/965328914.db2.gz PWCXQKKBOJUSEO-UHFFFAOYSA-N 2 0 230.315 1.867 20 0 BDADRP Cc1cc(-n2ccnc2C(N)=[NH2+])cc(C)[nH+]1 ZINC001168416046 965346466 /nfs/dbraw/zinc/34/64/66/965346466.db2.gz QMIAGQWKNMKSNS-UHFFFAOYSA-N 2 0 215.260 1.168 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1cc[nH+]c(CO)c1 ZINC001120824097 965420729 /nfs/dbraw/zinc/42/07/29/965420729.db2.gz IIOUPTMJJBHOHP-YGRLFVJLSA-N 2 0 247.342 1.469 20 0 BDADRP C[C@H](C[NH+](C)C)Nc1ccc(C[NH+](C)C)cn1 ZINC001163771824 965578071 /nfs/dbraw/zinc/57/80/71/965578071.db2.gz GLEFCHULBOZKBA-LLVKDONJSA-N 2 0 236.363 1.505 20 0 BDADRP Cc1ccc2c(c1)[nH+]ccc2N(CC[NH3+])CCO ZINC001163839932 965607228 /nfs/dbraw/zinc/60/72/28/965607228.db2.gz UMQSZWQKKHAXTQ-UHFFFAOYSA-N 2 0 245.326 1.301 20 0 BDADRP Cc1cc2[nH]ccc2c(N2CC([NH+](C)C)C2)[nH+]1 ZINC001163940891 965649985 /nfs/dbraw/zinc/64/99/85/965649985.db2.gz YWGGQCGDFDSTEJ-UHFFFAOYSA-N 2 0 230.315 1.622 20 0 BDADRP Cc1[nH+]c(N2CC([NH+](C)C)C2)cc2[nH]ccc21 ZINC001163940051 965652080 /nfs/dbraw/zinc/65/20/80/965652080.db2.gz AHSXDORVZWPVIX-UHFFFAOYSA-N 2 0 230.315 1.622 20 0 BDADRP Cc1cc(C[NH3+])nn1-c1ccc2c(c1)C[NH2+]C2 ZINC001163985595 965680811 /nfs/dbraw/zinc/68/08/11/965680811.db2.gz XJWNKWLLOUSIQV-UHFFFAOYSA-N 2 0 228.299 1.243 20 0 BDADRP CO[C@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000699208759 965812980 /nfs/dbraw/zinc/81/29/80/965812980.db2.gz GMWOOYSUSXDVQJ-GSPSYOTPSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@@H]1[C@H](C)OCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699206703 965816789 /nfs/dbraw/zinc/81/67/89/965816789.db2.gz XVDYMVLXNFYDSS-YJBUHQLJSA-N 2 0 238.375 1.626 20 0 BDADRP C[C@H]1OCC[C@H]1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715196583 965821945 /nfs/dbraw/zinc/82/19/45/965821945.db2.gz WCPWHGYQILRUIA-KBHBFKLGSA-N 2 0 240.391 1.874 20 0 BDADRP Cc1c2[nH+]c[nH]c2ccc1N1CC[C@@H]([NH3+])C1 ZINC001164281740 965826430 /nfs/dbraw/zinc/82/64/30/965826430.db2.gz LWFGXGHTWMFSNB-SECBINFHSA-N 2 0 216.288 1.409 20 0 BDADRP CC[C@@H]1COC[C@H]1[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000699532184 965945167 /nfs/dbraw/zinc/94/51/67/965945167.db2.gz KYJRUOVWQXZHEH-YNEHKIRRSA-N 2 0 226.364 1.343 20 0 BDADRP CC[C@H]1COC[C@@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000699533730 965949239 /nfs/dbraw/zinc/94/92/39/965949239.db2.gz PNZPTNMKYYECHX-STQMWFEESA-N 2 0 224.348 1.263 20 0 BDADRP CC[C@H]1COC[C@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000699543813 965960297 /nfs/dbraw/zinc/96/02/97/965960297.db2.gz PCZAMBFSPJZTOE-QWHCGFSZSA-N 2 0 240.391 1.733 20 0 BDADRP CC[C@H]1COC[C@H]1[NH2+]CC1CC[NH+](CC)CC1 ZINC000699547120 965964390 /nfs/dbraw/zinc/96/43/90/965964390.db2.gz ZAFGXPUTULYSPQ-UONOGXRCSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1COC[C@@H]1[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000699741640 966054716 /nfs/dbraw/zinc/05/47/16/966054716.db2.gz KUNPUXJKZQZATL-AGIUHOORSA-N 2 0 226.364 1.485 20 0 BDADRP Cc1[nH+]c(N2CCC[C@@H]3[NH2+]C[C@H]32)cc2[nH]ccc21 ZINC001165389577 966083132 /nfs/dbraw/zinc/08/31/32/966083132.db2.gz AYIKPSUTYDSBKS-WCQYABFASA-N 2 0 242.326 1.812 20 0 BDADRP Cn1ccc2c1cc[nH+]c2N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001165393442 966090758 /nfs/dbraw/zinc/09/07/58/966090758.db2.gz SWIYERUBDGLEFC-AAEUAGOBSA-N 2 0 242.326 1.514 20 0 BDADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2COC[C@H]2C)CC1 ZINC000699804788 966096091 /nfs/dbraw/zinc/09/60/91/966096091.db2.gz IIMCICXDNASSMV-TZMCWYRMSA-N 2 0 240.391 1.731 20 0 BDADRP CC[C@@H](C)C[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165781478 966152664 /nfs/dbraw/zinc/15/26/64/966152664.db2.gz RCOWDXDELMOWTN-GFCCVEGCSA-N 2 0 243.395 1.080 20 0 BDADRP CC(C)[C@H](CO)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715293737 966185904 /nfs/dbraw/zinc/18/59/04/966185904.db2.gz OUIIUYJMGGHAAT-BPCQOVAHSA-N 2 0 228.380 1.466 20 0 BDADRP [NH3+][C@]12CC[C@H]1C[N@H+](C[C@H]1C[C@H]3C=C[C@@H]1C3)C2 ZINC001235978386 966194514 /nfs/dbraw/zinc/19/45/14/966194514.db2.gz KGHMBXGVGPZUQB-ZSLBOAEBSA-N 2 0 218.344 1.622 20 0 BDADRP C[NH2+]C[C@H]1CCN(C[C@H]([NH3+])Cc2ccccc2)C1 ZINC001236069011 966261397 /nfs/dbraw/zinc/26/13/97/966261397.db2.gz ZZPMBHXWCLIZJP-HUUCEWRRSA-N 2 0 247.386 1.098 20 0 BDADRP COC(C)(C)CC[NH+]1CC(C)(C[NH3+])C1 ZINC001206712235 966264517 /nfs/dbraw/zinc/26/45/17/966264517.db2.gz YFQBPBKJTFEEGB-UHFFFAOYSA-N 2 0 200.326 1.082 20 0 BDADRP [NH3+]CCc1nccn1-c1cccc2c1C[NH2+]CC2 ZINC001166369948 966273975 /nfs/dbraw/zinc/27/39/75/966273975.db2.gz PAGSCBFFITWFJO-UHFFFAOYSA-N 2 0 242.326 1.019 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@@H]2CN)CC1 ZINC001236243110 966317791 /nfs/dbraw/zinc/31/77/91/966317791.db2.gz CEWDQCSKZFAUPY-CYBMUJFWSA-N 2 0 225.380 1.141 20 0 BDADRP Cc1cc2[nH]ccc2c(N2CCC([NH3+])CC2)[nH+]1 ZINC001166662706 966356783 /nfs/dbraw/zinc/35/67/83/966356783.db2.gz YIAMLJCEENLPFM-UHFFFAOYSA-N 2 0 230.315 1.799 20 0 BDADRP CCCN(CCC[NH2+]C1CC1)C1CC[NH2+]CC1 ZINC000382542472 966795193 /nfs/dbraw/zinc/79/51/93/966795193.db2.gz VVZAZQBFRTUUEI-UHFFFAOYSA-N 2 0 239.407 1.593 20 0 BDADRP CS[C@H](C)CC[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205210587 966848550 /nfs/dbraw/zinc/84/85/50/966848550.db2.gz QDXIWKMPWPWURP-NEPJUHHUSA-N 2 0 246.420 1.304 20 0 BDADRP COCCOCC[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715514808 966940707 /nfs/dbraw/zinc/94/07/07/966940707.db2.gz XLCFKGONNMROFL-UHFFFAOYSA-N 2 0 244.379 1.112 20 0 BDADRP C[C@]1([NH3+])CCN(CCC[NH2+]C2CCCCC2)C1 ZINC001204762750 967152742 /nfs/dbraw/zinc/15/27/42/967152742.db2.gz CBXFRQAFVXAKOK-AWEZNQCLSA-N 2 0 239.407 1.722 20 0 BDADRP C[C@@]1([NH3+])CC[N@H+](C[C@@H]2CCOC(C)(C)C2)C1 ZINC001204763456 967154187 /nfs/dbraw/zinc/15/41/87/967154187.db2.gz LDTYMRDUOLSFMW-DGCLKSJQSA-N 2 0 226.364 1.615 20 0 BDADRP C[C@]1([NH3+])CCN(C[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC001204763805 967156029 /nfs/dbraw/zinc/15/60/29/967156029.db2.gz QWYFCIFMCIGQEI-GJZGRUSLSA-N 2 0 245.370 1.124 20 0 BDADRP C[C@H]([NH3+])CC(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000715556970 967161981 /nfs/dbraw/zinc/16/19/81/967161981.db2.gz HAPYYMCGGKNWIF-ZBOXLXRLSA-N 2 0 241.379 1.103 20 0 BDADRP C[C@]1([NH3+])CCN(Cc2cccc(C[NH3+])c2)C1 ZINC001204801264 967176501 /nfs/dbraw/zinc/17/65/01/967176501.db2.gz MDZNOHHPRHHBTO-ZDUSSCGKSA-N 2 0 219.332 1.068 20 0 BDADRP CN1CCC[C@H]([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000715582265 967191818 /nfs/dbraw/zinc/19/18/18/967191818.db2.gz YNLBBUOBMVUPSU-RDBSUJKOSA-N 2 0 239.407 1.543 20 0 BDADRP CN1CCC[C@H]([NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000715582264 967195462 /nfs/dbraw/zinc/19/54/62/967195462.db2.gz YNLBBUOBMVUPSU-MELADBBJSA-N 2 0 239.407 1.543 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCC(=O)[C@@H]2CCCC[C@H]21 ZINC001204847550 967195701 /nfs/dbraw/zinc/19/57/01/967195701.db2.gz CGGYHVKUNCJOGB-VXGBXAGGSA-N 2 0 224.348 1.559 20 0 BDADRP [NH3+]C[C@@H]1CCCCN1CC[C@H]1CCCC[NH2+]1 ZINC001204925365 967241278 /nfs/dbraw/zinc/24/12/78/967241278.db2.gz RSFAHHHTRZVFIL-OLZOCXBDSA-N 2 0 225.380 1.332 20 0 BDADRP C[C@]1([NH3+])CCCN(CC[C@@H]2CCCC[NH2+]2)C1 ZINC001204939297 967246965 /nfs/dbraw/zinc/24/69/65/967246965.db2.gz QNFJHYHWTIDAQJ-STQMWFEESA-N 2 0 225.380 1.332 20 0 BDADRP Cc1ccsc1C[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000693557273 967262334 /nfs/dbraw/zinc/26/23/34/967262334.db2.gz PZBCKGZNQXTYRF-AOOOYVTPSA-N 2 0 210.346 1.883 20 0 BDADRP C[NH2+]C[C@@H]1CCCN(CC[C@H]2CCCC[NH2+]2)C1 ZINC001205000905 967283323 /nfs/dbraw/zinc/28/33/23/967283323.db2.gz MOIHWQXTDBFSLV-UONOGXRCSA-N 2 0 239.407 1.450 20 0 BDADRP [NH3+]CC1CC[NH+](C[C@H]2CCC=CO2)CC1 ZINC001205026470 967297909 /nfs/dbraw/zinc/29/79/09/967297909.db2.gz PVJDJLPPXGINDF-GFCCVEGCSA-N 2 0 210.321 1.350 20 0 BDADRP CN(C)c1ccc(C[NH+]2CCC(C[NH3+])CC2)cn1 ZINC001205041337 967304726 /nfs/dbraw/zinc/30/47/26/967304726.db2.gz TYAUOXOLCUQVMA-UHFFFAOYSA-N 2 0 248.374 1.318 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2cc3ccoc3cn2)CC1 ZINC001205047452 967305982 /nfs/dbraw/zinc/30/59/82/967305982.db2.gz UKOMWIFBBHTFQD-UHFFFAOYSA-N 2 0 245.326 1.999 20 0 BDADRP [NH3+]CC1CC[NH+](CC2OC=CC2=S)CC1 ZINC001205053911 967306077 /nfs/dbraw/zinc/30/60/77/967306077.db2.gz UVUXFDPDOUISQW-UHFFFAOYSA-N 2 0 226.345 1.739 20 0 BDADRP [NH3+][C@@H]1CCC[N@H+](Cc2ccnc3[nH]ccc32)CC1 ZINC001205109709 967351253 /nfs/dbraw/zinc/35/12/53/967351253.db2.gz JSZRYRJFCHRQPG-GFCCVEGCSA-N 2 0 244.342 1.876 20 0 BDADRP Nc1ccccc1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205124431 967370802 /nfs/dbraw/zinc/37/08/02/967370802.db2.gz RHLZTASBCPLZSF-LBPRGKRZSA-N 2 0 219.332 1.582 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccc3n[nH]cc3c2)C[C@H]1C[NH3+] ZINC001205140274 967387744 /nfs/dbraw/zinc/38/77/44/967387744.db2.gz FDSYGAOJAAFYQC-GXFFZTMASA-N 2 0 244.342 1.590 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccc3n2CCC3)C[C@H]1C[NH3+] ZINC001205155976 967400922 /nfs/dbraw/zinc/40/09/22/967400922.db2.gz KPQSWJGQHBAGBS-NWDGAFQWSA-N 2 0 233.359 1.461 20 0 BDADRP Cc1ccccc1C[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205209775 967428284 /nfs/dbraw/zinc/42/82/84/967428284.db2.gz LCEOXHUEBJCPMA-OAHLLOKOSA-N 2 0 248.370 1.671 20 0 BDADRP CC(C)(C)C[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205208942 967429377 /nfs/dbraw/zinc/42/93/77/967429377.db2.gz GIZKEIXSDNULPS-GFCCVEGCSA-N 2 0 214.353 1.208 20 0 BDADRP Cc1c(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)cnn1C ZINC001205265662 967456348 /nfs/dbraw/zinc/45/63/48/967456348.db2.gz QOBZEHQVTCJTQP-CYBMUJFWSA-N 2 0 236.363 1.432 20 0 BDADRP C[C@@]1([NH3+])CCC[N@H+](Cc2cc[nH]c2)CC1 ZINC001205273016 967467262 /nfs/dbraw/zinc/46/72/62/967467262.db2.gz CILSDGJKOOXAGF-GFCCVEGCSA-N 2 0 207.321 1.718 20 0 BDADRP C[C@@H]1CCNCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001205324908 967532903 /nfs/dbraw/zinc/53/29/03/967532903.db2.gz HUIFHYMINGORPK-OLZOCXBDSA-N 2 0 225.380 1.060 20 0 BDADRP Cc1cc(C[NH+]2CCC(C[NH3+])CC2)cc(C)n1 ZINC001205046645 967600193 /nfs/dbraw/zinc/60/01/93/967600193.db2.gz GURQADAAFJVWST-UHFFFAOYSA-N 2 0 233.359 1.869 20 0 BDADRP [NH3+]C[C@@]1(F)CCC[N@H+](C[C@H]2CCOC2)CC1 ZINC001205539388 967660091 /nfs/dbraw/zinc/66/00/91/967660091.db2.gz YDSGHVIJZFFGDR-VXGBXAGGSA-N 2 0 230.327 1.176 20 0 BDADRP Cn1cnc(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)c1 ZINC001205545383 967686693 /nfs/dbraw/zinc/68/66/93/967686693.db2.gz FYCQXWQKXYAHKI-GFCCVEGCSA-N 2 0 240.326 1.073 20 0 BDADRP [NH3+]CCCCC[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205545427 967688512 /nfs/dbraw/zinc/68/85/12/967688512.db2.gz GZTTXNSFGDPTKR-GFCCVEGCSA-N 3 0 231.359 1.268 20 0 BDADRP C[C@@H]1CC[N@H+](CCCCO)CC[C@H]1C[NH3+] ZINC001205601964 967717811 /nfs/dbraw/zinc/71/78/11/967717811.db2.gz HGOQDRSBZZEYRX-NEPJUHHUSA-N 2 0 214.353 1.066 20 0 BDADRP C[C@@H]1CC[N@H+](CC23CC([NH3+])(C2)C3)CC[C@@H]1C[NH3+] ZINC001205602531 967720978 /nfs/dbraw/zinc/72/09/78/967720978.db2.gz JFVNDYNCVQWBQR-IWMBGFJWSA-N 3 0 237.391 1.175 20 0 BDADRP C[C@H]1CC[N@H+](Cc2ccncn2)CC[C@H]1C[NH3+] ZINC001205627495 967733640 /nfs/dbraw/zinc/73/36/40/967733640.db2.gz QCUODUKSGPGXCS-RYUDHWBXSA-N 2 0 234.347 1.283 20 0 BDADRP Cc1cnc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)nc1 ZINC001205654548 967743109 /nfs/dbraw/zinc/74/31/09/967743109.db2.gz XEDIUVCVCSHLFN-QWHCGFSZSA-N 2 0 248.374 1.592 20 0 BDADRP Cc1cccnc1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001205779699 967821685 /nfs/dbraw/zinc/82/16/85/967821685.db2.gz MATGRGLRQMPVQH-KGLIPLIRSA-N 2 0 245.370 1.774 20 0 BDADRP Cc1cccnc1C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001205807700 967832753 /nfs/dbraw/zinc/83/27/53/967832753.db2.gz UUVZUAZLSGDNMT-UHFFFAOYSA-N 2 0 245.370 1.918 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C[C@@H]1[NH3+] ZINC001205863491 967863088 /nfs/dbraw/zinc/86/30/88/967863088.db2.gz YIORQBNFWIZVNZ-UPJWGTAASA-N 2 0 225.380 1.045 20 0 BDADRP C[NH2+]CCC1CC[NH+](CC2CC(OC)C2)CC1 ZINC000703887954 967881859 /nfs/dbraw/zinc/88/18/59/967881859.db2.gz IUEVMLKNIOTNMY-UHFFFAOYSA-N 2 0 240.391 1.733 20 0 BDADRP COC1CC(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)C1 ZINC000703881701 967881931 /nfs/dbraw/zinc/88/19/31/967881931.db2.gz WJYYQMGILLORJP-UHFFFAOYSA-N 2 0 238.375 1.487 20 0 BDADRP [NH3+]Cc1cccc(CN2CCCC[C@@H]([NH3+])C2)c1 ZINC001205938497 967890924 /nfs/dbraw/zinc/89/09/24/967890924.db2.gz IKLDUDAIPHBILB-CQSZACIVSA-N 2 0 233.359 1.459 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CCC[C@H]1C[NH3+] ZINC001205984992 967932994 /nfs/dbraw/zinc/93/29/94/967932994.db2.gz URFOHJMVQLZXGF-AGIUHOORSA-N 2 0 226.364 1.472 20 0 BDADRP Cc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)no1 ZINC001205996086 967947790 /nfs/dbraw/zinc/94/77/90/967947790.db2.gz UOEJNXXVKBXDRU-ZYHUDNBSSA-N 2 0 237.347 1.790 20 0 BDADRP C[C@@H]1C[N@H+](CC2CC3(C2)CC[NH2+]CC3)C[C@H]1[NH3+] ZINC001206049538 968013546 /nfs/dbraw/zinc/01/35/46/968013546.db2.gz NZWHIKRFJIAXNB-DGCLKSJQSA-N 3 0 237.391 1.045 20 0 BDADRP C[C@@H]1CN(Cc2cccc3c[nH+]cn32)C[C@H]1[NH3+] ZINC001206075522 968043610 /nfs/dbraw/zinc/04/36/10/968043610.db2.gz QFSSHGHCKSYEEZ-ZWNOBZJWSA-N 2 0 230.315 1.113 20 0 BDADRP COc1ccc2c(c1)C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000693559374 968070177 /nfs/dbraw/zinc/07/01/77/968070177.db2.gz KZJYRGJCTJXVNP-GSJFWJNXSA-N 2 0 232.327 1.748 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@H+](CCCC[NH3+])CC1 ZINC001206292535 968200374 /nfs/dbraw/zinc/20/03/74/968200374.db2.gz CPCHBMMYEWKCBN-GFCCVEGCSA-N 3 0 213.369 1.176 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@H+](CC2CCOCC2)CC1 ZINC001206297650 968207373 /nfs/dbraw/zinc/20/73/73/968207373.db2.gz ZFPJPYNRVQQGDP-AWEZNQCLSA-N 2 0 240.391 1.864 20 0 BDADRP Cn1cc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)cn1 ZINC001206303161 968209979 /nfs/dbraw/zinc/20/99/79/968209979.db2.gz CBAKUMWSUOEQMG-CYBMUJFWSA-N 2 0 236.363 1.371 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2cnc[nH]2)CC1 ZINC001206305250 968213586 /nfs/dbraw/zinc/21/35/86/968213586.db2.gz XGIUQCDLUSDLCI-LBPRGKRZSA-N 2 0 222.336 1.361 20 0 BDADRP CCCC[N@@H+]1CCCC[C@](F)(CN)C1 ZINC001206335202 968240167 /nfs/dbraw/zinc/24/01/67/968240167.db2.gz CETDSSICUBATDA-NSHDSACASA-N 2 0 202.317 1.939 20 0 BDADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)CC(C)C ZINC001142714767 968278467 /nfs/dbraw/zinc/27/84/67/968278467.db2.gz CGSPJUDCAVNFAW-UHFFFAOYSA-N 2 0 242.367 1.096 20 0 BDADRP [NH3+][C@@]12C[C@@H]1CCN(c1cc3[nH]ccc3c[nH+]1)C2 ZINC001165324275 968282214 /nfs/dbraw/zinc/28/22/14/968282214.db2.gz HYBUXAWKCRICNG-GXFFZTMASA-N 2 0 228.299 1.490 20 0 BDADRP CCCC[C@H](CC)C[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206458366 968317827 /nfs/dbraw/zinc/31/78/27/968317827.db2.gz YPHOMGXKAWJBQP-RWMBFGLXSA-N 2 0 228.380 1.454 20 0 BDADRP CCCC[NH+]1CCC([N@H+](C)C[C@H](O)CC)CC1 ZINC001251782693 968324349 /nfs/dbraw/zinc/32/43/49/968324349.db2.gz OJTVIWZPZVBBKW-CQSZACIVSA-N 2 0 242.407 1.954 20 0 BDADRP CC[C@@H](O)C[NH2+]CCSCc1[nH]cnc1C ZINC001251806215 968340846 /nfs/dbraw/zinc/34/08/46/968340846.db2.gz QAYBWLHQXXZAMZ-SNVBAGLBSA-N 2 0 243.376 1.312 20 0 BDADRP CC[C@@H](O)C[NH2+]C(C)(C)CC[NH+](C)C ZINC001251808590 968342517 /nfs/dbraw/zinc/34/25/17/968342517.db2.gz MHCVSDPQYRCNMW-SNVBAGLBSA-N 2 0 202.342 1.077 20 0 BDADRP CC[NH2+]CCN(C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206583380 968398165 /nfs/dbraw/zinc/39/81/65/968398165.db2.gz UFQQOBLOGLPDGP-CYBMUJFWSA-N 2 0 227.396 1.448 20 0 BDADRP Cc1ccnc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c1 ZINC001206617054 968420544 /nfs/dbraw/zinc/42/05/44/968420544.db2.gz ZDUPRHFHQNBSCY-ZDUSSCGKSA-N 2 0 233.359 1.951 20 0 BDADRP [NH3+]C[C@H]1CCCCN(Cc2ncccc2F)C1 ZINC001206616943 968421004 /nfs/dbraw/zinc/42/10/04/968421004.db2.gz UXMSPYXKLFTZNZ-LLVKDONJSA-N 2 0 237.322 1.782 20 0 BDADRP C(C1CCC1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000085696860 968426279 /nfs/dbraw/zinc/42/62/79/968426279.db2.gz SLUQUBNDMTWZDN-CYBMUJFWSA-N 2 0 208.349 1.957 20 0 BDADRP C[C@H](Cc1ccno1)[NH2+]CC[C@H](C)[NH+](C)C ZINC001206838287 968493826 /nfs/dbraw/zinc/49/38/26/968493826.db2.gz NGYPOOKXDJJPOC-MNOVXSKESA-N 2 0 225.336 1.535 20 0 BDADRP CCCC[C@H](O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC001252092173 968512918 /nfs/dbraw/zinc/51/29/18/968512918.db2.gz YAKRKYRQIJEXBV-AWEZNQCLSA-N 2 0 242.407 1.811 20 0 BDADRP CCC[NH+]1C[C@H]2C[NH+](CC(C)(C)O)C[C@@H]2C1 ZINC001252355447 968633047 /nfs/dbraw/zinc/63/30/47/968633047.db2.gz IJHLCBYSRDBWJR-RYUDHWBXSA-N 2 0 226.364 1.031 20 0 BDADRP CC[NH+](CC)CCN(C)CC(C)(C)C[NH+](C)C ZINC001207274766 968705977 /nfs/dbraw/zinc/70/59/77/968705977.db2.gz GMVAWFCYDFAWNN-UHFFFAOYSA-N 2 0 243.439 1.848 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CC[C@@H](O)[C@H](F)CC2)CC1 ZINC001207391952 968746721 /nfs/dbraw/zinc/74/67/21/968746721.db2.gz RPKRTYKEKUNYIB-CHWSQXEVSA-N 2 0 244.354 1.123 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)CC1 ZINC001207395266 968752109 /nfs/dbraw/zinc/75/21/09/968752109.db2.gz ROLFPZNOWFSEJT-AVGNSLFASA-N 2 0 226.339 1.618 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CC1 ZINC001207398273 968752308 /nfs/dbraw/zinc/75/23/08/968752308.db2.gz DSNGTPNNVNBPPN-RWMBFGLXSA-N 2 0 226.339 1.761 20 0 BDADRP C(C1CC[NH2+]CC1)[NH+]1CCC2(CCCO2)CC1 ZINC001207438078 968769960 /nfs/dbraw/zinc/76/99/60/968769960.db2.gz VZQJYBZHPBDJPQ-UHFFFAOYSA-N 2 0 238.375 1.631 20 0 BDADRP CCCOC1C[NH+](CC2CC[NH2+]CC2)C1 ZINC001207437512 968770173 /nfs/dbraw/zinc/77/01/73/968770173.db2.gz JGUGXIWCTSLQDT-UHFFFAOYSA-N 2 0 212.337 1.097 20 0 BDADRP CC(C)N1CC[N@H+](CC2CC[NH2+]CC2)C[C@@H]1C ZINC001207442053 968774490 /nfs/dbraw/zinc/77/44/90/968774490.db2.gz RYAVBJXSIKHBLC-ZDUSSCGKSA-N 2 0 239.407 1.401 20 0 BDADRP CC[N@H+](C[C@H]1CCCOC1)C1CCN(C)CC1 ZINC001207468340 968789391 /nfs/dbraw/zinc/78/93/91/968789391.db2.gz OVSSNKSTKJTXPE-CYBMUJFWSA-N 2 0 240.391 1.829 20 0 BDADRP C[NH+]1CCC(CC[N@@H+]2CCC[C@H](CO)C2)CC1 ZINC001207479051 968794928 /nfs/dbraw/zinc/79/49/28/968794928.db2.gz BYBFPYOCKCIYSO-AWEZNQCLSA-N 2 0 240.391 1.423 20 0 BDADRP C[NH+]1CCC(CC[N@@H+]2CC[C@@H](O)[C@@H](F)C2)CC1 ZINC001207480149 968797738 /nfs/dbraw/zinc/79/77/38/968797738.db2.gz UYLQMRXBAVHXRZ-QWHCGFSZSA-N 2 0 244.354 1.123 20 0 BDADRP Cc1nc(N(C)C)cc(N[C@@H]2CCC[C@H]([NH3+])C2)[nH+]1 ZINC001154977105 968830678 /nfs/dbraw/zinc/83/06/78/968830678.db2.gz MSYOQEOMOKVPJY-WDEREUQCSA-N 2 0 249.362 1.533 20 0 BDADRP CCC[C@H](O)C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001252789094 968967347 /nfs/dbraw/zinc/96/73/47/968967347.db2.gz MQALUCFSLDIJMG-LBPRGKRZSA-N 2 0 226.364 1.175 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+](CCCn1cccn1)CC2 ZINC001208076902 968979876 /nfs/dbraw/zinc/97/98/76/968979876.db2.gz CEZKLWQQSMZVEF-UHFFFAOYSA-N 2 0 248.374 1.301 20 0 BDADRP CCC[C@@H](O)C[NH2+]CCCC[NH+]1CCCC1 ZINC001252799236 968981207 /nfs/dbraw/zinc/98/12/07/968981207.db2.gz SSCOTHQSPHBKHG-CYBMUJFWSA-N 2 0 228.380 1.613 20 0 BDADRP C[C@H]1C[N@H+](CC2(C)CC[NH+](C)CC2)C[C@@H]1O ZINC001208105661 969000544 /nfs/dbraw/zinc/00/05/44/969000544.db2.gz AURMQFSWQCJINF-RYUDHWBXSA-N 2 0 226.364 1.031 20 0 BDADRP C[NH+]1CCC(C)(C[N@@H+]2CCN3CC[C@H]3C2)CC1 ZINC001208116536 969005104 /nfs/dbraw/zinc/00/51/04/969005104.db2.gz XHDLBDYEBRCETG-ZDUSSCGKSA-N 2 0 237.391 1.108 20 0 BDADRP C[NH+]1CCC(C)(C[N@@H+]2CCOCC2(C)C)CC1 ZINC001208114416 969008691 /nfs/dbraw/zinc/00/86/91/969008691.db2.gz VSDJQTRPJOHINZ-UHFFFAOYSA-N 2 0 240.391 1.829 20 0 BDADRP CC[N@H+](CCC[NH+](C)C)CC1CCOCC1 ZINC000349380839 969080521 /nfs/dbraw/zinc/08/05/21/969080521.db2.gz FHYSWFRICVLYNE-UHFFFAOYSA-N 2 0 228.380 1.687 20 0 BDADRP CCC[C@H](O)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC001324487983 969139266 /nfs/dbraw/zinc/13/92/66/969139266.db2.gz LVANWJAGQXHFEH-IHRRRGAJSA-N 2 0 242.407 1.810 20 0 BDADRP [NH3+]Cc1ccc(-c2cccc(C[NH3+])n2)cc1 ZINC001241912174 969142091 /nfs/dbraw/zinc/14/20/91/969142091.db2.gz YNGNNNZMJPRQQP-UHFFFAOYSA-N 2 0 213.284 1.666 20 0 BDADRP CCC(CC)C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253383264 969145689 /nfs/dbraw/zinc/14/56/89/969145689.db2.gz CPXKOGYHRUSTNE-LBPRGKRZSA-N 2 0 230.396 1.761 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)CC1 ZINC001208593188 969147997 /nfs/dbraw/zinc/14/79/97/969147997.db2.gz PPCFZLOUWHARMU-QWHCGFSZSA-N 2 0 244.354 1.123 20 0 BDADRP CC1CC([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)C1 ZINC001253385235 969148575 /nfs/dbraw/zinc/14/85/75/969148575.db2.gz XKJMULIFXGTTQZ-ILDUYXDCSA-N 2 0 214.353 1.124 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CCOC[C@H](C)C2)CC1 ZINC001208593611 969148862 /nfs/dbraw/zinc/14/88/62/969148862.db2.gz XZEXTAVMWPBGIQ-CYBMUJFWSA-N 2 0 240.391 1.687 20 0 BDADRP CC[NH+]1CCC(C[NH+]2CC(C3COC3)C2)CC1 ZINC001208595438 969150179 /nfs/dbraw/zinc/15/01/79/969150179.db2.gz STVIFNKDYQYPRP-UHFFFAOYSA-N 2 0 238.375 1.297 20 0 BDADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@@H]1CCC(C)(C)C1 ZINC001253409132 969163680 /nfs/dbraw/zinc/16/36/80/969163680.db2.gz OUGSPFRVFDIVGX-NEPJUHHUSA-N 2 0 242.407 1.904 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH+]2C[C@@H]3CCO[C@@H]3C2)C1 ZINC001208618296 969176856 /nfs/dbraw/zinc/17/68/56/969176856.db2.gz VUKIUBOYSFXKRD-FRRDWIJNSA-N 2 0 224.348 1.049 20 0 BDADRP CCCCC[C@@H](O)C[NH2+]CCCC[NH+](C)C ZINC001253520767 969197071 /nfs/dbraw/zinc/19/70/71/969197071.db2.gz XBZMCZLKYAUZQL-CYBMUJFWSA-N 2 0 230.396 1.859 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cncnc2)CCC[C@H]1C[NH3+] ZINC001205992026 969213245 /nfs/dbraw/zinc/21/32/45/969213245.db2.gz CXCUNVWQXSTTRW-YPMHNXCESA-N 2 0 234.347 1.283 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccc[nH]2)CCC[C@H]1C[NH3+] ZINC001205992828 969220682 /nfs/dbraw/zinc/22/06/82/969220682.db2.gz GCJMMRANJXMERQ-RYUDHWBXSA-N 2 0 221.348 1.822 20 0 BDADRP Cn1c[nH+]cc1-n1cnc2ccc(C[NH3+])cc21 ZINC001168841824 969230824 /nfs/dbraw/zinc/23/08/24/969230824.db2.gz HAYMHHNRKJOURW-UHFFFAOYSA-N 2 0 227.271 1.218 20 0 BDADRP [NH3+][C@H]1CCN(c2[nH+]ccc3[nH]ccc32)C1 ZINC001156228194 969231523 /nfs/dbraw/zinc/23/15/23/969231523.db2.gz CJPOJHYUZVNBBG-QMMMGPOBSA-N 2 0 202.261 1.100 20 0 BDADRP [NH3+][C@@H]1CCN(c2cc3[nH]ccc3c[nH+]2)C1 ZINC001156229393 969240876 /nfs/dbraw/zinc/24/08/76/969240876.db2.gz ZYTKYLAMFGFHFU-SECBINFHSA-N 2 0 202.261 1.100 20 0 BDADRP C[NH+]1CCC2(C[NH+](C[C@H]3CCC=CO3)C2)CC1 ZINC001208881695 969265347 /nfs/dbraw/zinc/26/53/47/969265347.db2.gz DSFOJCNGVQPUCR-CYBMUJFWSA-N 2 0 236.359 1.707 20 0 BDADRP [NH3+][C@H]1CCN(c2ncccc2C[NH+]2CCCC2)C1 ZINC001156233376 969268357 /nfs/dbraw/zinc/26/83/57/969268357.db2.gz QXGPSVBVXXZVJD-ZDUSSCGKSA-N 2 0 246.358 1.215 20 0 BDADRP C[C@H]1C[N@H+](Cc2c[nH]cn2)CCC[C@H]1C[NH3+] ZINC001205996057 969295003 /nfs/dbraw/zinc/29/50/03/969295003.db2.gz UIIZMODHSHFHSR-QWRGUYRKSA-N 2 0 222.336 1.217 20 0 BDADRP Cc1cnc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cn1 ZINC001205996049 969324962 /nfs/dbraw/zinc/32/49/62/969324962.db2.gz UFPDFOBMSQATQY-WCQYABFASA-N 2 0 248.374 1.592 20 0 BDADRP CCOC(C)(C)C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001209067926 969345865 /nfs/dbraw/zinc/34/58/65/969345865.db2.gz LBICUJDTVMITKR-OLZOCXBDSA-N 2 0 240.391 1.685 20 0 BDADRP Cc1cnc(C[NH3+])n1-c1cccc(C[NH3+])c1 ZINC001169028533 969348889 /nfs/dbraw/zinc/34/88/89/969348889.db2.gz KIAIAHGGSJYBCZ-UHFFFAOYSA-N 2 0 216.288 1.098 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ncccc2N)CCC[C@@H]1C[NH3+] ZINC001205996342 969367061 /nfs/dbraw/zinc/36/70/61/969367061.db2.gz WHLZSCXOBOQNTO-VXGBXAGGSA-N 2 0 248.374 1.471 20 0 BDADRP CCC[N@H+](CCC[NH+](C)C)C[C@@H](O)C(C)C ZINC001253766814 969388206 /nfs/dbraw/zinc/38/82/06/969388206.db2.gz FBKWLHCQFSVLJD-CYBMUJFWSA-N 2 0 230.396 1.667 20 0 BDADRP CO[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169099127 969388551 /nfs/dbraw/zinc/38/85/51/969388551.db2.gz NTYKRDFNCCTRQQ-WOPNUFJOSA-N 2 0 224.348 1.379 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H]1C[C@@](C)(O)C1)C2 ZINC001169098463 969390791 /nfs/dbraw/zinc/39/07/91/969390791.db2.gz IKALTWVLEBJBSE-KLLCGCCRSA-N 2 0 238.375 1.362 20 0 BDADRP Cc1cnc(C[NH3+])n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169098618 969392077 /nfs/dbraw/zinc/39/20/77/969392077.db2.gz JXJNFTWDVWMYBR-ZSBIGDGJSA-N 2 0 234.347 1.448 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](n1cc(CC[NH3+])cn1)C2 ZINC001169097839 969393693 /nfs/dbraw/zinc/39/36/93/969393693.db2.gz CLDCPDOHDXUURE-CLLJXQQHSA-N 2 0 234.347 1.182 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CC[C@H](O)CC1)C2 ZINC001169077870 969400554 /nfs/dbraw/zinc/40/05/54/969400554.db2.gz AYCVRPATHSXXSV-ZAEXQNMVSA-N 2 0 238.375 1.505 20 0 BDADRP CC(C)[C@H](O)C[NH2+]C(C)(C)CC[NH+](C)C ZINC001253783134 969405309 /nfs/dbraw/zinc/40/53/09/969405309.db2.gz VRLXYWLYLZIJIP-LLVKDONJSA-N 2 0 216.369 1.323 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](n1ccc(C[NH3+])cc1=N)C2 ZINC001169091184 969409432 /nfs/dbraw/zinc/40/94/32/969409432.db2.gz PAGDJAFXXUXADU-CLLJXQQHSA-N 2 0 246.358 1.224 20 0 BDADRP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)(C)O ZINC001169119411 969413902 /nfs/dbraw/zinc/41/39/02/969413902.db2.gz SVTNVVICCWNZIV-KKOKHZNYSA-N 2 0 226.364 1.361 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@]1(C)CCOC1)C2 ZINC001169118280 969414244 /nfs/dbraw/zinc/41/42/44/969414244.db2.gz GOSPBEKEPWVOTD-YIYPIFLZSA-N 2 0 238.375 1.628 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1C[C@H]1C1CC1)C2 ZINC001169123712 969417607 /nfs/dbraw/zinc/41/76/07/969417607.db2.gz MPKDTWVBKZRKPV-NDKCEZKHSA-N 2 0 220.360 2.000 20 0 BDADRP CCC[N@H+](CCOC)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169124858 969428302 /nfs/dbraw/zinc/42/83/02/969428302.db2.gz FQGUEHYDXAXUSC-WDNDVIMCSA-N 2 0 240.391 1.970 20 0 BDADRP C[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@@H]1O ZINC001169126971 969433874 /nfs/dbraw/zinc/43/38/74/969433874.db2.gz YNYABJPYUYOPNU-RGDJUOJXSA-N 2 0 238.375 1.314 20 0 BDADRP COC(=O)C[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169109047 969445901 /nfs/dbraw/zinc/44/59/01/969445901.db2.gz HBRKLHSCNUHNKV-YFKTTZPYSA-N 2 0 240.347 1.153 20 0 BDADRP [NH2+]=CNCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254049808 969460468 /nfs/dbraw/zinc/46/04/68/969460468.db2.gz NFGWXLFDQSHVQJ-UHFFFAOYSA-N 2 0 247.342 1.210 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1C[C@@H]3CCO[C@@H]3C1)C2 ZINC001169143955 969462199 /nfs/dbraw/zinc/46/21/99/969462199.db2.gz GZQIZVMGECFTCH-PDWCTOEPSA-N 2 0 236.359 1.332 20 0 BDADRP C[NH+]1CCC(c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC001254080703 969483097 /nfs/dbraw/zinc/48/30/97/969483097.db2.gz PCSCRVQUHHXMPG-UHFFFAOYSA-N 2 0 249.362 1.012 20 0 BDADRP C[C@H]1C[C@H]1C[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001209421752 969485572 /nfs/dbraw/zinc/48/55/72/969485572.db2.gz NWGABLHUIIVSIS-KBPBESRZSA-N 2 0 239.407 1.212 20 0 BDADRP CCCC[N@H+](C)CCNC1CC[NH+](CC)CC1 ZINC001169221789 969493587 /nfs/dbraw/zinc/49/35/87/969493587.db2.gz MCCJAAOXTBJBNL-UHFFFAOYSA-N 2 0 241.423 1.792 20 0 BDADRP CC[NH+]1CCC(n2ccc([C@@H](C)[NH3+])n2)CC1 ZINC001169231193 969504787 /nfs/dbraw/zinc/50/47/87/969504787.db2.gz WFVOSXPJYGIVJD-SNVBAGLBSA-N 2 0 222.336 1.560 20 0 BDADRP CC[NH+]1CCC([NH2+]CC[C@@H](C)CO)CC1 ZINC001169233962 969516001 /nfs/dbraw/zinc/51/60/01/969516001.db2.gz ZBNFNISMAMVAKA-LLVKDONJSA-N 2 0 214.353 1.079 20 0 BDADRP C[C@H]([NH3+])c1ccn(-c2ccc([C@H](C)[NH3+])nc2)n1 ZINC001169236391 969523707 /nfs/dbraw/zinc/52/37/07/969523707.db2.gz CTBZHEJUGJDUEK-IUCAKERBSA-N 2 0 231.303 1.307 20 0 BDADRP C[C@H]([NH3+])c1ccn(-c2cccc3c2CC[C@@H]3[NH3+])n1 ZINC001169235757 969525571 /nfs/dbraw/zinc/52/55/71/969525571.db2.gz ZMTXSCLWFTUIOV-CABZTGNLSA-N 2 0 242.326 1.838 20 0 BDADRP CC[NH+]1CCC(N2CC(C)([NH+](C)C)C2)CC1 ZINC001169266198 969525578 /nfs/dbraw/zinc/52/55/78/969525578.db2.gz UISVUADFFDAUDI-UHFFFAOYSA-N 2 0 225.380 1.107 20 0 BDADRP CCC[NH+]1CCN(Cc2c[nH+]ccc2N)CC1 ZINC001209729893 969589614 /nfs/dbraw/zinc/58/96/14/969589614.db2.gz ADMASEOZEPGZNM-UHFFFAOYSA-N 2 0 234.347 1.022 20 0 BDADRP C[N@@H+]1CCC[C@H]2CN(Cc3c[nH+]ccc3N)C[C@@H]21 ZINC001209733019 969592084 /nfs/dbraw/zinc/59/20/84/969592084.db2.gz OYOWIZDCTCEUOQ-FZMZJTMJSA-N 2 0 246.358 1.020 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+]C[C@@H](O)c2ccco2)CC1 ZINC001254497842 969661585 /nfs/dbraw/zinc/66/15/85/969661585.db2.gz OGZWIIFXONFDIS-NWDGAFQWSA-N 2 0 238.331 1.387 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+]C[C@H]2CC(C)(C)O2)CC1 ZINC001254503635 969665688 /nfs/dbraw/zinc/66/56/88/969665688.db2.gz NZKVZHFXDMWUCV-VXGBXAGGSA-N 2 0 226.364 1.628 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+]CCn2cccc2)CC1 ZINC001254501324 969665727 /nfs/dbraw/zinc/66/57/27/969665727.db2.gz SQXKFJZCKRDPQV-ZDUSSCGKSA-N 2 0 221.348 1.562 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CC[C@@H](CO)CC2)CC1 ZINC001254502536 969665781 /nfs/dbraw/zinc/66/57/81/969665781.db2.gz FKMWYZUPZOSYSQ-MELADBBJSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](C)N1CC[C@H]1CCCC[NH2+]1 ZINC001209856479 969666982 /nfs/dbraw/zinc/66/69/82/969666982.db2.gz FMUGKOZCDMJFMG-FRRDWIJNSA-N 2 0 225.380 1.201 20 0 BDADRP Cc1cnc(C[NH3+])n1[C@H]1CCC[N@@H+](C)CC1 ZINC001254506209 969674116 /nfs/dbraw/zinc/67/41/16/969674116.db2.gz PCAFCWCPUCGNBS-NSHDSACASA-N 2 0 222.336 1.307 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+][C@]2(C)CCOC2)CC1 ZINC001254512198 969680502 /nfs/dbraw/zinc/68/05/02/969680502.db2.gz KGYLEINKYXRCMR-VXGBXAGGSA-N 2 0 212.337 1.239 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH+]2CCC(C)(O)CC2)CC1 ZINC001254515834 969686461 /nfs/dbraw/zinc/68/64/61/969686461.db2.gz DUPCMJLMTYUYFZ-GFCCVEGCSA-N 2 0 226.364 1.318 20 0 BDADRP CCOC1CC[NH+]([C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254522980 969705302 /nfs/dbraw/zinc/70/53/02/969705302.db2.gz LICFGNGZASZZAN-ZDUSSCGKSA-N 2 0 240.391 1.972 20 0 BDADRP CCO[C@@H]1CC[N@@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254528529 969716000 /nfs/dbraw/zinc/71/60/00/969716000.db2.gz GQRYEVIKDLXFKU-QWHCGFSZSA-N 2 0 226.364 1.582 20 0 BDADRP Cc1nc2c(n1[C@H]1CCC[N@@H+](C)CC1)C[NH2+]CC2 ZINC001254528816 969721409 /nfs/dbraw/zinc/72/14/09/969721409.db2.gz IBZKABZNAXEWGY-LBPRGKRZSA-N 2 0 248.374 1.494 20 0 BDADRP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[NH+](C)CC2)[C@@H](C)C1 ZINC001254533026 969729183 /nfs/dbraw/zinc/72/91/83/969729183.db2.gz ISCWCRPFFYEJNL-BFHYXJOUSA-N 2 0 240.391 1.970 20 0 BDADRP C[n+]1cccc(NCC[C@H]2CCC[NH2+]2)c1 ZINC001169569373 969767541 /nfs/dbraw/zinc/76/75/41/969767541.db2.gz MYWKVLRSMVGRIJ-LLVKDONJSA-N 2 0 206.313 1.065 20 0 BDADRP CCC[N@H+](CCC[NH3+])[C@@H]1CCCN(C(C)=O)C1 ZINC001169573868 969768793 /nfs/dbraw/zinc/76/87/93/969768793.db2.gz IPEZHIFZELICOJ-CYBMUJFWSA-N 2 0 241.379 1.058 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@@H]1CC2CCN(CC2)C1 ZINC001254831331 969792525 /nfs/dbraw/zinc/79/25/25/969792525.db2.gz LDIHSNZCPDCLLN-CQSZACIVSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@H](C[NH3+])C[N@H+](C)C1Cc2ccccc2C1 ZINC001255014712 969847351 /nfs/dbraw/zinc/84/73/51/969847351.db2.gz HUTASIHDAIEFTB-LLVKDONJSA-N 2 0 218.344 1.680 20 0 BDADRP CC(C)CN1CC[C@H]([NH2+]C2CCOCC2)C1 ZINC001255036033 969857979 /nfs/dbraw/zinc/85/79/79/969857979.db2.gz RPXRWUPOUGGCBY-ZDUSSCGKSA-N 2 0 226.364 1.485 20 0 BDADRP CCC[NH+]1C[C@H]2C[NH+](C3CCOCC3)C[C@@H]2C1 ZINC001255047143 969865700 /nfs/dbraw/zinc/86/57/00/969865700.db2.gz KLLYWGRCQOPMSA-STQMWFEESA-N 2 0 238.375 1.439 20 0 BDADRP C[C@@H]1CCN(C[C@H]([NH3+])Cc2ccccc2)CC[NH2+]1 ZINC001210476914 969899091 /nfs/dbraw/zinc/89/90/91/969899091.db2.gz YNYOFGANAVQALV-UKRRQHHQSA-N 2 0 247.386 1.240 20 0 BDADRP CC1([NH3+])CN([C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001255106492 969937355 /nfs/dbraw/zinc/93/73/55/969937355.db2.gz WKWZIJVYWYRYDP-AWEZNQCLSA-N 2 0 245.370 1.294 20 0 BDADRP C[NH2+]CC1CN(CCC[NH2+]C2CCCCC2)C1 ZINC001210560870 969941624 /nfs/dbraw/zinc/94/16/24/969941624.db2.gz BBIZEVWIULQWEU-UHFFFAOYSA-N 2 0 239.407 1.450 20 0 BDADRP C[NH+](C)CCCCC[NH2+][C@@H]1CCSC1 ZINC001255268208 970018733 /nfs/dbraw/zinc/01/87/33/970018733.db2.gz ARNFJHCHDDKHOU-LLVKDONJSA-N 2 0 216.394 1.813 20 0 BDADRP c1cc(N2CC[NH+]([C@@H]3CCSC3)CC2)cc[nH+]1 ZINC001255279866 970032022 /nfs/dbraw/zinc/03/20/22/970032022.db2.gz QIOYKONBSOLQFQ-CYBMUJFWSA-N 2 0 249.383 1.709 20 0 BDADRP CC(C)[NH+]1CCC(C[NH2+][C@@H]2CCN(C)C2)CC1 ZINC001255412701 970131223 /nfs/dbraw/zinc/13/12/23/970131223.db2.gz UUTYIFMKJOGBAQ-CQSZACIVSA-N 2 0 239.407 1.401 20 0 BDADRP CC(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(C)C2)[C@H](C)C1 ZINC001255425464 970149825 /nfs/dbraw/zinc/14/98/25/970149825.db2.gz GNUDTNAFAOYPGH-RDBSUJKOSA-N 2 0 239.407 1.399 20 0 BDADRP CN(CCC[NH+]1CCCC1)[C@H]1CC[N@H+](C)C1 ZINC001255435292 970159640 /nfs/dbraw/zinc/15/96/40/970159640.db2.gz DGQIGZXCVPWBFW-ZDUSSCGKSA-N 2 0 225.380 1.108 20 0 BDADRP CCN(CC[NH+](CC)CC)[C@H]1CC[N@H+](C)C1 ZINC001255435636 970163458 /nfs/dbraw/zinc/16/34/58/970163458.db2.gz JRUBMXXTNFGPEQ-ZDUSSCGKSA-N 2 0 227.396 1.354 20 0 BDADRP C[N@@H+]1CCC[C@@H](n2nc(C[NH3+])c3ccccc32)C1 ZINC001255469525 970198351 /nfs/dbraw/zinc/19/83/51/970198351.db2.gz CJNMEPQRPUJQLR-LLVKDONJSA-N 2 0 244.342 1.762 20 0 BDADRP COc1c[nH+]ccc1Nc1cc[nH+]cc1C ZINC001211257671 970205884 /nfs/dbraw/zinc/20/58/84/970205884.db2.gz LPQZGLMIICDKRS-UHFFFAOYSA-N 2 0 215.256 1.959 20 0 BDADRP CN1CCC[C@@H]([NH2+]Cc2ccccc2C[NH3+])C1 ZINC001255473445 970206356 /nfs/dbraw/zinc/20/63/56/970206356.db2.gz UPCINUGZAXPZDH-CQSZACIVSA-N 2 0 233.359 1.329 20 0 BDADRP CN1CCC[C@@H]([NH2+]C2CCC(CC[NH3+])CC2)C1 ZINC001255476018 970209329 /nfs/dbraw/zinc/20/93/29/970209329.db2.gz ZJFYTMZHYXNGCA-JXQTWKCFSA-N 2 0 239.407 1.578 20 0 BDADRP CN1CCC[C@H]([NH+]2CCC(C[NH+](C)C)CC2)C1 ZINC001255485364 970238016 /nfs/dbraw/zinc/23/80/16/970238016.db2.gz BTTPUXADNOFFDO-AWEZNQCLSA-N 2 0 239.407 1.354 20 0 BDADRP C[N@@H+]1CCC[C@@H](N2CCC([NH+]3CCC3)CC2)C1 ZINC001255493642 970249927 /nfs/dbraw/zinc/24/99/27/970249927.db2.gz DZXXFTCUGVRRQF-CQSZACIVSA-N 2 0 237.391 1.251 20 0 BDADRP C[N@@H+]1CCC[C@H](N2CCC([NH+]3CCC3)CC2)C1 ZINC001255493640 970255163 /nfs/dbraw/zinc/25/51/63/970255163.db2.gz DZXXFTCUGVRRQF-AWEZNQCLSA-N 2 0 237.391 1.251 20 0 BDADRP CN1CCC[C@H]([N@@H+]2C[C@@H]3CCCN(C)[C@@H]3C2)C1 ZINC001255495470 970261749 /nfs/dbraw/zinc/26/17/49/970261749.db2.gz PTLWANKKMPLVCE-MELADBBJSA-N 2 0 237.391 1.107 20 0 BDADRP CC1(C)C[C@@H](NC(=[NH2+])SCC[NH3+])CCO1 ZINC001255526006 970285581 /nfs/dbraw/zinc/28/55/81/970285581.db2.gz ATSAXINGBNCKQG-QMMMGPOBSA-N 2 0 231.365 1.160 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](CCO)CC2)C1 ZINC001170100856 970292389 /nfs/dbraw/zinc/29/23/89/970292389.db2.gz MGXIZMBIRMRKNO-OCCSQVGLSA-N 2 0 240.391 1.469 20 0 BDADRP C[NH+](C)CCC[N@H+](C)[C@H]1CCOC(C)(C)C1 ZINC001255534293 970299025 /nfs/dbraw/zinc/29/90/25/970299025.db2.gz CGNMWAHUEYVWMK-LBPRGKRZSA-N 2 0 228.380 1.828 20 0 BDADRP CCN(c1[nH+]ccc2c1ccn2C)C1CN(C)C1 ZINC001157455291 970314656 /nfs/dbraw/zinc/31/46/56/970314656.db2.gz GZXGWUBWTBSQQG-UHFFFAOYSA-N 2 0 244.342 1.714 20 0 BDADRP CCCC[N@H+](C)CCC[NH2+][C@@H](C)COC ZINC001255557642 970334425 /nfs/dbraw/zinc/33/44/25/970334425.db2.gz YDVNXVIQQSAKMR-LBPRGKRZSA-N 2 0 216.369 1.733 20 0 BDADRP C1=C(c2cccc(N3CC[NH2+]CC3)c2)C[NH2+]C1 ZINC001243109021 970346465 /nfs/dbraw/zinc/34/64/65/970346465.db2.gz IXUTYVKKZKXKJR-UHFFFAOYSA-N 2 0 229.327 1.083 20 0 BDADRP C[C@H]1CC[C@@H]([NH+]2CCN(CC[NH+](C)C)CC2)C1 ZINC001170125332 970373564 /nfs/dbraw/zinc/37/35/64/970373564.db2.gz KCERQARRUPJYGL-UONOGXRCSA-N 2 0 239.407 1.354 20 0 BDADRP CCC[N@H+]1C[C@@H]2C[NH+]([C@H](C)COC)C[C@@H]2C1 ZINC001255582932 970388523 /nfs/dbraw/zinc/38/85/23/970388523.db2.gz FCMQKXMUKNAGKQ-UPJWGTAASA-N 2 0 226.364 1.295 20 0 BDADRP C[C@@H]1CC[C@@H](N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC001170145697 970436506 /nfs/dbraw/zinc/43/65/06/970436506.db2.gz VVWKHJVEAQDVSL-ZIAGYGMSSA-N 2 0 241.423 1.600 20 0 BDADRP C[N@H+](CCO)CCC[NH2+]C1CCCCCC1 ZINC001255886936 970547234 /nfs/dbraw/zinc/54/72/34/970547234.db2.gz IYMHGYVUKKMLBN-UHFFFAOYSA-N 2 0 228.380 1.613 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N[C@@H](C)C[NH+](C)C ZINC001255943416 970565606 /nfs/dbraw/zinc/56/56/06/970565606.db2.gz MIHQVUAJECTXBN-OLZOCXBDSA-N 2 0 229.412 1.647 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001255939132 970572095 /nfs/dbraw/zinc/57/20/95/970572095.db2.gz ALCZLKYYTFLZCM-MELADBBJSA-N 2 0 241.423 1.966 20 0 BDADRP Cc1nc(C[NH2+][C@H](C)C2CC[NH2+]CC2)cs1 ZINC000400323926 970572261 /nfs/dbraw/zinc/57/22/61/970572261.db2.gz BWZJEBRFBIUXRX-SECBINFHSA-N 2 0 239.388 1.929 20 0 BDADRP CC[C@H]1C[C@H]([NH+]2CCC([NH+](C)C)CC2)CCO1 ZINC001170205131 970573521 /nfs/dbraw/zinc/57/35/21/970573521.db2.gz VHHHIHFNWLKTIL-KGLIPLIRSA-N 2 0 240.391 1.970 20 0 BDADRP C[C@@H]([NH2+]Cc1nccs1)C1CC[NH2+]CC1 ZINC000400325635 970579012 /nfs/dbraw/zinc/57/90/12/970579012.db2.gz DGPYRMQTOQVROZ-SECBINFHSA-N 2 0 225.361 1.621 20 0 BDADRP C[C@H](NC[C@H](O)c1ccsc1)[C@H]1CCC[NH2+]1 ZINC000400345981 970580739 /nfs/dbraw/zinc/58/07/39/970580739.db2.gz KJKHGNONMUZDJT-WCQGTBRESA-N 2 0 240.372 1.512 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@H](CO)C1 ZINC001255960552 970603135 /nfs/dbraw/zinc/60/31/35/970603135.db2.gz IKIXHNNCCCODGK-STQMWFEESA-N 2 0 228.380 1.421 20 0 BDADRP COCC(C)(C)C[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000400764586 970627872 /nfs/dbraw/zinc/62/78/72/970627872.db2.gz ZBJOIIHPDBCVJH-LLVKDONJSA-N 2 0 228.380 1.637 20 0 BDADRP C1CC1[NH+]1CCC(N2CC[N@@H+]3CC[C@@H]3C2)CC1 ZINC001256083363 970655189 /nfs/dbraw/zinc/65/51/89/970655189.db2.gz SWXFVJNLUHXWCF-CQSZACIVSA-N 2 0 235.375 1.003 20 0 BDADRP Cc1cc(NC2CC2)nc(NCC2C[NH+](C)C2)[nH+]1 ZINC001170249847 970655350 /nfs/dbraw/zinc/65/53/50/970655350.db2.gz PDNNKPXELSFZIH-UHFFFAOYSA-N 2 0 247.346 1.333 20 0 BDADRP C[NH+]1CCC(N2CC[NH+](C3CCC3)CC2)CC1 ZINC001256202456 970705310 /nfs/dbraw/zinc/70/53/10/970705310.db2.gz DZNZVBPVUAJKGL-UHFFFAOYSA-N 2 0 237.391 1.251 20 0 BDADRP CN1CCC([N@@H+]2CCC[C@H](CF)C2)CC1 ZINC001256207570 970708266 /nfs/dbraw/zinc/70/82/66/970708266.db2.gz NNMAPNYFRNTIIO-LLVKDONJSA-N 2 0 214.328 1.762 20 0 BDADRP CN1CCC([N@@H+]2CCC3(C2)CCOCC3)CC1 ZINC001256207388 970709889 /nfs/dbraw/zinc/70/98/89/970709889.db2.gz HBQACQRPPOBWTI-UHFFFAOYSA-N 2 0 238.375 1.583 20 0 BDADRP C[N@H+]1C[C@H]2[C@H](C1)CCCN2C1CC[NH+](C)CC1 ZINC001256209482 970709933 /nfs/dbraw/zinc/70/99/33/970709933.db2.gz WWMYIKVGCUSDIU-JSGCOSHPSA-N 2 0 237.391 1.107 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3n[nH]cc32)C1 ZINC000401664825 970715229 /nfs/dbraw/zinc/71/52/29/970715229.db2.gz WRIYDOFOUIUCMQ-AAEUAGOBSA-N 2 0 248.374 1.719 20 0 BDADRP C[NH+]1CC2(C1)CCN(C1CC[NH+](C)CC1)CC2 ZINC001256210132 970719296 /nfs/dbraw/zinc/71/92/96/970719296.db2.gz FBBJZPGOKRXNPA-UHFFFAOYSA-N 2 0 237.391 1.108 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)CO1 ZINC000401858525 970740780 /nfs/dbraw/zinc/74/07/80/970740780.db2.gz HFXCGTZALAWLJT-IJLUTSLNSA-N 2 0 224.348 1.238 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCCN1c1ccc2c(n1)CC[NH2+]C2 ZINC001157731301 970751724 /nfs/dbraw/zinc/75/17/24/970751724.db2.gz BCHVUPTVBWOXGB-ZYHUDNBSSA-N 2 0 246.358 1.043 20 0 BDADRP [NH3+]CCCC[N@@H+]1CC[C@@]2(C1)CCCCO2 ZINC001222573717 972575530 /nfs/dbraw/zinc/57/55/30/972575530.db2.gz CCXONMFRSYCGCA-GFCCVEGCSA-N 2 0 212.337 1.370 20 0 BDADRP C[C@H]([NH3+])CN1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222596069 972599397 /nfs/dbraw/zinc/59/93/97/972599397.db2.gz PKCUZBYJHPZBJU-JSGCOSHPSA-N 2 0 245.370 1.023 20 0 BDADRP OC[C@@H]1CCCCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000125139762 972665881 /nfs/dbraw/zinc/66/58/81/972665881.db2.gz JRCSPFCDEYIWIL-OLZOCXBDSA-N 2 0 226.364 1.223 20 0 BDADRP CC[C@@H]1C[C@H](N2CCC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246548075 972674504 /nfs/dbraw/zinc/67/45/04/972674504.db2.gz QOTPZVITMYTQLG-YNEHKIRRSA-N 2 0 225.380 1.330 20 0 BDADRP CC(C)[NH+]1CCC(N2CCC[C@H]([NH3+])CC2)CC1 ZINC001246547489 972678827 /nfs/dbraw/zinc/67/88/27/972678827.db2.gz PXWNRCHZHOXLBD-ZDUSSCGKSA-N 2 0 239.407 1.672 20 0 BDADRP C[C@H]1C[C@@H]([N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)CCO1 ZINC001246553597 972751399 /nfs/dbraw/zinc/75/13/99/972751399.db2.gz BNEOQQJGGNXRRC-DCAQKATOSA-N 2 0 248.317 1.470 20 0 BDADRP CC[N@@H+]1CC[C@H](NCC[C@@H](C)[NH2+]C)[C@@H](C)C1 ZINC001327838034 972754139 /nfs/dbraw/zinc/75/41/39/972754139.db2.gz CPXHZNNKZOLGSP-XQQFMLRXSA-N 2 0 227.396 1.304 20 0 BDADRP C[NH2+][C@H](C)CCN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC001327839657 972756714 /nfs/dbraw/zinc/75/67/14/972756714.db2.gz JTQAFEYKFFTJQG-WOPDTQHZSA-N 2 0 213.369 1.105 20 0 BDADRP C[C@@H]1CC[C@H](C[NH3+])N([C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246555015 972756920 /nfs/dbraw/zinc/75/69/20/972756920.db2.gz FXCPZYOEWHNMNS-YVECIDJPSA-N 2 0 225.380 1.186 20 0 BDADRP CCCC[C@H](CCC)[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246560733 972793651 /nfs/dbraw/zinc/79/36/51/972793651.db2.gz SPZQNHZMTOCAJJ-YNEHKIRRSA-N 2 0 228.380 1.739 20 0 BDADRP C[C@]1(C[NH3+])CCCN([C@H]2CCCC[NH2+]C2)CC1 ZINC001246577809 972895053 /nfs/dbraw/zinc/89/50/53/972895053.db2.gz PXWSIAFVBRIZBN-KBPBESRZSA-N 2 0 239.407 1.579 20 0 BDADRP CCOCC[C@H](C)[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246581995 972943504 /nfs/dbraw/zinc/94/35/04/972943504.db2.gz LYSFVZJDJXJBQH-QWHCGFSZSA-N 2 0 228.380 1.862 20 0 BDADRP C[C@H]1C[C@H]([N@@H+]2CCCC[C@@H](C[NH3+])C2)CCO1 ZINC001246584218 972956357 /nfs/dbraw/zinc/95/63/57/972956357.db2.gz TWZWUSTYZDPACN-RWMBFGLXSA-N 2 0 226.364 1.615 20 0 BDADRP C[C@@H]1CC[C@@H](N2CCCC[C@@](F)(C[NH3+])C2)C[NH2+]1 ZINC001246584540 972959844 /nfs/dbraw/zinc/95/98/44/972959844.db2.gz XIBBUNOHRGKGEE-JHJVBQTASA-N 2 0 243.370 1.280 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N2CC[NH2+]C[C@@H](F)C2)CC[NH2+]1 ZINC001246598835 973019212 /nfs/dbraw/zinc/01/92/12/973019212.db2.gz OXLCUHZLRTUWQC-AGIUHOORSA-N 2 0 243.370 1.006 20 0 BDADRP CC[C@H]1C[C@@H]([NH+]2CC(C)(C[NH3+])C2)CCO1 ZINC001246601371 973020901 /nfs/dbraw/zinc/02/09/01/973020901.db2.gz UYGLTKRPHKCWPI-QWRGUYRKSA-N 2 0 212.337 1.225 20 0 BDADRP C[C@H]1C[C@H]([N@H+](C)[C@H]2CC[C@H](O)CC2)CC[NH2+]1 ZINC001246599971 973022116 /nfs/dbraw/zinc/02/21/16/973022116.db2.gz QLEVCFUPSOLQEO-RVMXOQNASA-N 2 0 226.364 1.362 20 0 BDADRP CC[C@@H]1CC(N2CCC23C[NH2+]C3)C[C@@H](CC)[NH2+]1 ZINC001246602897 973027491 /nfs/dbraw/zinc/02/74/91/973027491.db2.gz DMBAOUNRRMWEMG-VXGBXAGGSA-N 2 0 237.391 1.343 20 0 BDADRP CCCC[C@H](CC)[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246641551 973062668 /nfs/dbraw/zinc/06/26/68/973062668.db2.gz JBAFKBNWPNZEED-KBPBESRZSA-N 2 0 239.407 1.593 20 0 BDADRP CC(C)(C)[C@@H]1C[C@H](N2CC[NH2+][C@@H]3C[C@@H]32)CC[NH2+]1 ZINC001246667092 973073533 /nfs/dbraw/zinc/07/35/33/973073533.db2.gz XTKJKDGYMBFSDO-NDBYEHHHSA-N 2 0 237.391 1.199 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)CC[NH2+]1 ZINC001246670079 973079096 /nfs/dbraw/zinc/07/90/96/973079096.db2.gz WFFAZSYEPLDAFS-YTWAJWBKSA-N 2 0 246.301 1.093 20 0 BDADRP CO[C@@H]1CCC[C@@H]2C[N@@H+](C3CC[NH2+]CC3)C[C@@H]21 ZINC001246756822 973085275 /nfs/dbraw/zinc/08/52/75/973085275.db2.gz AECWNZVYTPADFE-KWCYVHTRSA-N 2 0 238.375 1.485 20 0 BDADRP CC[NH2+]C1CCN([C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246803211 973103420 /nfs/dbraw/zinc/10/34/20/973103420.db2.gz MTEAKXFWBPGSTP-DGCLKSJQSA-N 2 0 225.380 1.201 20 0 BDADRP CCOC(=O)[C@H]1CC[N@@H+]([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246815006 973109304 /nfs/dbraw/zinc/10/93/04/973109304.db2.gz BIRZVLPKYKSCNS-WOPDTQHZSA-N 2 0 240.347 1.012 20 0 BDADRP C[C@H]1C[C@@H]([NH+]2CC3(C2)CCC[NH2+]CC3)CC[NH2+]1 ZINC001246853843 973160581 /nfs/dbraw/zinc/16/05/81/973160581.db2.gz LRTGHJFATGHKJC-STQMWFEESA-N 3 0 237.391 1.202 20 0 BDADRP CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001146603284 973180426 /nfs/dbraw/zinc/18/04/26/973180426.db2.gz WOQIEYJWGLFCRQ-NEPJUHHUSA-N 2 0 243.395 1.219 20 0 BDADRP C[C@H]1CC[C@H]([N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)C[NH2+]1 ZINC001246875161 973270826 /nfs/dbraw/zinc/27/08/26/973270826.db2.gz XQPBCQDUYOSPGS-UHFZAUJKSA-N 2 0 212.312 1.274 20 0 BDADRP C1[NH2+]CC12C[C@H]([NH+]1C[C@@H]3CCCC[C@H]3C1)CCN2 ZINC001246892896 973340703 /nfs/dbraw/zinc/34/07/03/973340703.db2.gz JRXIIDJVGGWVAL-MELADBBJSA-N 2 0 249.402 1.202 20 0 BDADRP CCC[C@H]1CN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC001246904209 973394974 /nfs/dbraw/zinc/39/49/74/973394974.db2.gz SXZBSNOOPSEVNL-WJLOJVBCSA-N 2 0 237.391 1.343 20 0 BDADRP CC[C@@H]1C[C@H](N(C)[C@@H]2CCCC[C@@H]2[NH3+])CC[NH2+]1 ZINC001246907520 973406091 /nfs/dbraw/zinc/40/60/91/973406091.db2.gz AHXVVCLKVQFYKO-YIYPIFLZSA-N 2 0 239.407 1.719 20 0 BDADRP CN([C@@H]1CCCC[NH2+]C1)[C@]1(C)CCC[NH2+]C1 ZINC001246909257 973413071 /nfs/dbraw/zinc/41/30/71/973413071.db2.gz HQDAVJSGPOCQSW-CHWSQXEVSA-N 2 0 225.380 1.202 20 0 BDADRP C[C@@H]1CC[C@H](N(C2CC2)[C@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001246913822 973439652 /nfs/dbraw/zinc/43/96/52/973439652.db2.gz HBVSEYXVYSSVPQ-XBFCOCLRSA-N 2 0 237.391 1.343 20 0 BDADRP CC(C)[NH2+][C@@H](C)[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001329110500 973489183 /nfs/dbraw/zinc/48/91/83/973489183.db2.gz PCHIJASEJOETFY-NWDGAFQWSA-N 2 0 243.395 1.219 20 0 BDADRP CN1CCC[C@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]21 ZINC001246923311 973545445 /nfs/dbraw/zinc/54/54/45/973545445.db2.gz YVSUYSOBUKAAEK-WQKZHXONSA-N 2 0 249.402 1.295 20 0 BDADRP C[C@@H]1C[C@H](N(C2CCC2)[C@@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001246984818 973740900 /nfs/dbraw/zinc/74/09/00/973740900.db2.gz HNYOCYGNPLLKBV-BNOWGMLFSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@H]([NH3+])CN(C)[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246981788 973748623 /nfs/dbraw/zinc/74/86/23/973748623.db2.gz RFRFWCSHQODFOX-CFVMTHIKSA-N 2 0 247.386 1.759 20 0 BDADRP COC[C@H]1CCC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000234800647 973766105 /nfs/dbraw/zinc/76/61/05/973766105.db2.gz DVKWUXRVTPFFLI-KBPBESRZSA-N 2 0 240.391 1.735 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@@H](SC)C1 ZINC000234808279 973773581 /nfs/dbraw/zinc/77/35/81/973773581.db2.gz AVCGRZLBOVADOD-GRYCIOLGSA-N 2 0 246.420 1.614 20 0 BDADRP C1[NH2+]CC12CC[C@@H](N1CC[C@H]3[NH2+]CCC[C@H]3C1)C2 ZINC001247014095 973794328 /nfs/dbraw/zinc/79/43/28/973794328.db2.gz IYBKLBGKKPHIBK-BFHYXJOUSA-N 2 0 249.402 1.202 20 0 BDADRP C[C@@H](CCC[NH3+])NC(=O)[C@H]([NH3+])C1CCCCC1 ZINC001329498616 973800485 /nfs/dbraw/zinc/80/04/85/973800485.db2.gz FJZSZLRYEPRQIN-CMPLNLGQSA-N 2 0 241.379 1.138 20 0 BDADRP CCC[N@H+](C)CCC(=O)NCC[NH2+]CC(C)C ZINC001148578965 973867853 /nfs/dbraw/zinc/86/78/53/973867853.db2.gz YBDZDLZDAMGVED-UHFFFAOYSA-N 2 0 243.395 1.080 20 0 BDADRP C[N@@H+]1CCC[C@@H](OCCC[NH+]2CCCC2)C1 ZINC001224743491 973904616 /nfs/dbraw/zinc/90/46/16/973904616.db2.gz ATOISIAUNKOSOZ-CYBMUJFWSA-N 2 0 226.364 1.583 20 0 BDADRP C[NH+]1C(C)(C)CC(NC2CC([NH3+])C2)CC1(C)C ZINC001171624299 974119347 /nfs/dbraw/zinc/11/93/47/974119347.db2.gz OOULPSREUDIWBZ-UHFFFAOYSA-N 2 0 239.407 1.717 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2C[C@H]2[NH3+])C[N@@H+]1Cc1ccccc1 ZINC001171732024 974139187 /nfs/dbraw/zinc/13/91/87/974139187.db2.gz GJOLVGBEXUVFTN-FAAHXZRKSA-N 2 0 245.370 1.339 20 0 BDADRP C[C@H]1C[C@@H](N[C@@H]2C[C@H]2[NH3+])C[N@@H+]1Cc1ccccc1 ZINC001171732027 974140787 /nfs/dbraw/zinc/14/07/87/974140787.db2.gz GJOLVGBEXUVFTN-ZGKBOVNRSA-N 2 0 245.370 1.339 20 0 BDADRP C[C@H](C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1)C(F)(F)F ZINC001206152770 974228890 /nfs/dbraw/zinc/22/88/90/974228890.db2.gz ARVNSVNSRHGJGT-IWSPIJDZSA-N 2 0 242.260 1.946 20 0 BDADRP CC1(C[N@@H+]2CC[C@@H](N)[C@@H](F)CC2)CC[NH2+]CC1 ZINC001206152846 974235953 /nfs/dbraw/zinc/23/59/53/974235953.db2.gz BPJMOQGGYYZCSA-NWDGAFQWSA-N 2 0 243.370 1.137 20 0 BDADRP c1cn2c(n1)CC[N@H+](Cc1ccncc1)CC2 ZINC001204081285 974312343 /nfs/dbraw/zinc/31/23/43/974312343.db2.gz LKNOATVYMVJRAY-UHFFFAOYSA-N 2 0 228.299 1.336 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@H]1CCCO1)C2 ZINC001172098927 974341631 /nfs/dbraw/zinc/34/16/31/974341631.db2.gz DMEVEQNBQARPAG-YIYPIFLZSA-N 2 0 238.375 1.770 20 0 BDADRP CC[C@@H](O)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172103390 974360804 /nfs/dbraw/zinc/36/08/04/974360804.db2.gz UGYUDKIMBYTRDC-YVECIDJPSA-N 2 0 226.364 1.362 20 0 BDADRP Cc1cnc(C[NH3+])n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172106493 974364298 /nfs/dbraw/zinc/36/42/98/974364298.db2.gz PJGRCXMFRXVDBB-ITGUQSILSA-N 2 0 248.374 1.838 20 0 BDADRP CCc1cc(CN2CC[C@@H]([NH3+])[C@H](F)CC2)on1 ZINC001206157188 974377460 /nfs/dbraw/zinc/37/74/60/974377460.db2.gz XEAPEHJLEURPHO-VXGBXAGGSA-N 2 0 241.310 1.498 20 0 BDADRP CCOC1CN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172115884 974381175 /nfs/dbraw/zinc/38/11/75/974381175.db2.gz AIHOJYWZJBXWMD-ITGUQSILSA-N 2 0 238.375 1.722 20 0 BDADRP Cc1nnc(C[NH3+])n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172114358 974382463 /nfs/dbraw/zinc/38/24/63/974382463.db2.gz QZCVWSLXYGDZTL-GDNZZTSVSA-N 2 0 249.362 1.233 20 0 BDADRP C[NH+](C)CCCCC[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172227980 974465542 /nfs/dbraw/zinc/46/55/42/974465542.db2.gz DEPCDXFBBZDQCP-AGUYFDCRSA-N 2 0 238.375 1.794 20 0 BDADRP C[C@H]([NH3+])CN[C@H]1c2ccccc2NC1(C)C ZINC001330832918 974498043 /nfs/dbraw/zinc/49/80/43/974498043.db2.gz VFEJAZAFKOHWDI-CABZTGNLSA-N 2 0 219.332 1.869 20 0 BDADRP C[NH+]1CCC2(C[NH+](C3C[C@@H]4C=C[C@H](C3)O4)C2)CC1 ZINC001172244181 974509041 /nfs/dbraw/zinc/50/90/41/974509041.db2.gz KJHGTLLVRVIFSB-AGUYFDCRSA-N 2 0 248.370 1.500 20 0 BDADRP C[NH2+][C@H](C)CCNC(=O)C(C)(C)[C@H]([NH3+])C(C)C ZINC001330880047 974518318 /nfs/dbraw/zinc/51/83/18/974518318.db2.gz OQUASRNSROKMGR-GHMZBOCLSA-N 2 0 243.395 1.110 20 0 BDADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC001330885428 974521582 /nfs/dbraw/zinc/52/15/82/974521582.db2.gz CCPMYUOIAXXGGG-SRVKXCTJSA-N 2 0 241.379 1.007 20 0 BDADRP C[NH+]1CCC2(C[NH+]([C@@H]3COC(C)(C)C3)C2)CC1 ZINC001172290537 974558025 /nfs/dbraw/zinc/55/80/25/974558025.db2.gz DADUVWMYGLJKCV-LBPRGKRZSA-N 2 0 238.375 1.582 20 0 BDADRP C[C@@H]1CC[C@H](NC(=[NH2+])NCCCC[NH3+])C[C@@H]1C ZINC001172360775 974632900 /nfs/dbraw/zinc/63/29/00/974632900.db2.gz XBCBNVZIVLTXMR-WOPDTQHZSA-N 2 0 240.395 1.664 20 0 BDADRP CCOCC[C@H](C)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001172410971 974676410 /nfs/dbraw/zinc/67/64/10/974676410.db2.gz MPRKSEMGIMEZJO-STQMWFEESA-N 2 0 228.380 1.875 20 0 BDADRP CCOCC[C@H](C)[NH2+][C@H]1CCN(C)C[C@H]1C ZINC001172422754 974697790 /nfs/dbraw/zinc/69/77/90/974697790.db2.gz IHUHBBPEIGLIPG-AGIUHOORSA-N 2 0 228.380 1.731 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC001331835294 974830860 /nfs/dbraw/zinc/83/08/60/974830860.db2.gz QIAAZQZTPFYPFG-WOPDTQHZSA-N 2 0 214.353 1.389 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@H]1CCC[C@@H]1CCOC ZINC001331835925 974831794 /nfs/dbraw/zinc/83/17/94/974831794.db2.gz TYDQIOGYLQPGPP-UPJWGTAASA-N 2 0 228.380 1.779 20 0 BDADRP C[N@@H+]1CC[C@@H](Oc2cc(N)nc3ccccc32)C1 ZINC001226415901 974889733 /nfs/dbraw/zinc/88/97/33/974889733.db2.gz ASFWEIGTYWDZSS-SNVBAGLBSA-N 2 0 243.310 1.900 20 0 BDADRP CC(C)OC(=O)CC[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC001172751356 974924696 /nfs/dbraw/zinc/92/46/96/974924696.db2.gz VWJHPWMZPBPAPZ-GRYCIOLGSA-N 2 0 242.363 1.576 20 0 BDADRP Cc1ccc2c(c1)C[C@@H]([NH2+]CCOCC[NH3+])CC2 ZINC001172836524 974953667 /nfs/dbraw/zinc/95/36/67/974953667.db2.gz VDSBNJIOEBSCPB-HNNXBMFYSA-N 2 0 248.370 1.417 20 0 BDADRP CO[C@@H]1CCC[C@@H]([N@H+](C)CCC[NH+](C)C)C1 ZINC001172929558 974977176 /nfs/dbraw/zinc/97/71/76/974977176.db2.gz FYCBPKSZHFBJAL-CHWSQXEVSA-N 2 0 228.380 1.828 20 0 BDADRP CC(C)[N@@H+]1CCC[C@@H](Oc2cc[nH+]c(N)c2)C1 ZINC001226653999 974999778 /nfs/dbraw/zinc/99/97/78/974999778.db2.gz VXYFLZGQFHWKPP-GFCCVEGCSA-N 2 0 235.331 1.915 20 0 BDADRP C[NH2+]CCNc1cc(N2CCCC2)[nH+]c(C)n1 ZINC000258880145 975055945 /nfs/dbraw/zinc/05/59/45/975055945.db2.gz DSINCSHGJJEXOP-UHFFFAOYSA-N 2 0 235.335 1.017 20 0 BDADRP C[C@H]1C[C@H]([NH2+][C@H]2CCC[N@H+](C)CC2)CCO1 ZINC001173169493 975061438 /nfs/dbraw/zinc/06/14/38/975061438.db2.gz LNNNGHOPLWOSOQ-RWMBFGLXSA-N 2 0 226.364 1.628 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001173170096 975062912 /nfs/dbraw/zinc/06/29/12/975062912.db2.gz XSROZSUXWIDVPT-XQQFMLRXSA-N 2 0 226.364 1.628 20 0 BDADRP CC[C@@H]1CC[C@@H]([NH2+]CCSCC[NH3+])C1 ZINC001173274934 975156142 /nfs/dbraw/zinc/15/61/42/975156142.db2.gz RKKWZYNXPNZCJM-GHMZBOCLSA-N 2 0 216.394 1.847 20 0 BDADRP CC[N@@H+]1CC[C@@H](N2C[C@H]([NH3+])Cc3ccccc32)C1 ZINC001173348563 975292085 /nfs/dbraw/zinc/29/20/85/975292085.db2.gz RBSJRUBBYWGPEL-ZIAGYGMSSA-N 2 0 245.370 1.471 20 0 BDADRP CC[N@@H+]1CC[C@H](N(C(N)=[NH2+])c2ccccc2)C1 ZINC001173350002 975293056 /nfs/dbraw/zinc/29/30/56/975293056.db2.gz HVSBYROIOCOBEI-LBPRGKRZSA-N 2 0 232.331 1.481 20 0 BDADRP CC[N@@H+]1CC[C@H](N2CC[C@H]([NH3+])c3ccccc32)C1 ZINC001173355185 975311423 /nfs/dbraw/zinc/31/14/23/975311423.db2.gz NFFBWHXXBARXFI-JSGCOSHPSA-N 2 0 245.370 1.991 20 0 BDADRP CC[N@@H+]1CC[C@@H](N2CC[NH+](C3CCC3)CC2)C1 ZINC001173360817 975330939 /nfs/dbraw/zinc/33/09/39/975330939.db2.gz PUWZVVALYHNUFD-CQSZACIVSA-N 2 0 237.391 1.251 20 0 BDADRP CC[N@@H+]1CC[C@H](N2CC[C@@H]([NH+](C)C(C)C)C2)C1 ZINC001173366583 975348617 /nfs/dbraw/zinc/34/86/17/975348617.db2.gz ARZVHZAHHIVACX-KGLIPLIRSA-N 2 0 239.407 1.495 20 0 BDADRP CCN1CC[C@H]([N@@H+]2C[C@@H]3CCCN(C)[C@@H]3C2)C1 ZINC001173366729 975353020 /nfs/dbraw/zinc/35/30/20/975353020.db2.gz BJNDDSFNIKZKRU-MELADBBJSA-N 2 0 237.391 1.107 20 0 BDADRP CC[N@@H+]1CC[C@H](n2ccnc2[C@@H]2CCC[NH2+]C2)C1 ZINC001173371127 975357270 /nfs/dbraw/zinc/35/72/70/975357270.db2.gz KKDJSZILYYJXHD-OLZOCXBDSA-N 2 0 248.374 1.617 20 0 BDADRP [NH3+]CCCC[NH2+]C1Cc2cc(F)c(F)cc2C1 ZINC001173470869 975398385 /nfs/dbraw/zinc/39/83/85/975398385.db2.gz BBNHSSQMMWXDJU-UHFFFAOYSA-N 2 0 240.297 1.761 20 0 BDADRP C[C@H](C(=O)N(C)C1(C[NH3+])CCCCC1)[NH+](C)C ZINC001333228830 975578810 /nfs/dbraw/zinc/57/88/10/975578810.db2.gz LQVZBUDEQXVOPG-LLVKDONJSA-N 2 0 241.379 1.057 20 0 BDADRP Cc1ccccc1[C@H]([NH3+])C(=O)NCCC(C)(C)[NH3+] ZINC001333236967 975589023 /nfs/dbraw/zinc/58/90/23/975589023.db2.gz VUZBHYGJTLRSET-LBPRGKRZSA-N 2 0 249.358 1.238 20 0 BDADRP CN(C)c1cc(Nc2cc[nH+]cc2)cc[nH+]1 ZINC001173881468 975920433 /nfs/dbraw/zinc/92/04/33/975920433.db2.gz UUKHFZPHAHGHTF-UHFFFAOYSA-N 2 0 214.272 1.708 20 0 BDADRP c1cn2cc(Nc3cc[nH+]cc3)ccc2[nH+]1 ZINC001173882111 975934369 /nfs/dbraw/zinc/93/43/69/975934369.db2.gz RZSNQPOBNDPNJG-UHFFFAOYSA-N 2 0 210.240 1.895 20 0 BDADRP Cc1[nH+]c(C)n(C[C@H](O)C[N@@H+](C)C2CC2)c1C ZINC001334102261 976303780 /nfs/dbraw/zinc/30/37/80/976303780.db2.gz USCYJUHGTWPBGD-CYBMUJFWSA-N 2 0 237.347 1.263 20 0 BDADRP [NH3+]CC1CCC([NH2+]C[C@H]2CCCCC[NH2+]2)CC1 ZINC001334708823 976592462 /nfs/dbraw/zinc/59/24/62/976592462.db2.gz WRKRUARHNNFYLE-JXQTWKCFSA-N 3 0 239.407 1.626 20 0 BDADRP C[NH+](C)CCc1ccc(O[C@@H]2CC[N@H+](C)C2)cc1 ZINC001229658739 976934076 /nfs/dbraw/zinc/93/40/76/976934076.db2.gz YLZFGPOKWPKESJ-OAHLLOKOSA-N 2 0 248.370 1.874 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)CCC(C)C)C1 ZINC001335935879 977373155 /nfs/dbraw/zinc/37/31/55/977373155.db2.gz YPFVPZVVYZAFSN-KBPBESRZSA-N 2 0 242.407 1.715 20 0 BDADRP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC001336261768 977603794 /nfs/dbraw/zinc/60/37/94/977603794.db2.gz IDJYLLOEGULIPM-YNEHKIRRSA-N 2 0 240.391 1.922 20 0 BDADRP OC[C@@H]1CCCC[N@@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232012177 977838562 /nfs/dbraw/zinc/83/85/62/977838562.db2.gz UVOQPWYGCQDPAZ-ZDUSSCGKSA-N 2 0 245.326 1.910 20 0 BDADRP OCC1CC[NH+](Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001232012682 977839364 /nfs/dbraw/zinc/83/93/64/977839364.db2.gz NRGKMNQFYFFDFB-UHFFFAOYSA-N 2 0 245.326 1.767 20 0 BDADRP c1c(C[N@@H+]2CC[C@H]3OCC[C@H]32)[nH]c2cc[nH+]cc12 ZINC001232013120 977839947 /nfs/dbraw/zinc/83/99/47/977839947.db2.gz YHWPWPQOKIPAKY-ZIAGYGMSSA-N 2 0 243.310 1.926 20 0 BDADRP C[NH+](C)Cc1ccc(-n2c[nH+]cc2N)cc1 ZINC001176293072 978015790 /nfs/dbraw/zinc/01/57/90/978015790.db2.gz WTQPZZBSHGUAJK-UHFFFAOYSA-N 2 0 216.288 1.516 20 0 BDADRP C[NH+]1CCC2(C[NH+](Cc3ccc(N)nc3)C2)CC1 ZINC001232370379 978044766 /nfs/dbraw/zinc/04/47/66/978044766.db2.gz YQDYYHKMXHMXEH-UHFFFAOYSA-N 2 0 246.358 1.191 20 0 BDADRP C[NH+](C)CCO[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001206273000 978062297 /nfs/dbraw/zinc/06/22/97/978062297.db2.gz LIGPBAXESZTBSZ-ZSBIGDGJSA-N 2 0 212.337 1.190 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](OCC[NH+](C)C)C1 ZINC001206278353 978146311 /nfs/dbraw/zinc/14/63/11/978146311.db2.gz LWDVEBMMHZCFHB-LLVKDONJSA-N 2 0 200.326 1.047 20 0 BDADRP COCC[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206296918 978309676 /nfs/dbraw/zinc/30/96/76/978309676.db2.gz VKQBXKRXSXTWRH-NSHDSACASA-N 2 0 200.326 1.084 20 0 BDADRP Cn1nccc1C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206305101 978384612 /nfs/dbraw/zinc/38/46/12/978384612.db2.gz SYVJKWADUXTICH-CYBMUJFWSA-N 2 0 236.363 1.371 20 0 BDADRP C[NH+](C)[C@H]1CC[C@H](OCC[NH+]2CCCC2)CC1 ZINC001206309813 978471943 /nfs/dbraw/zinc/47/19/43/978471943.db2.gz WQKDGPCCDXQHGY-HDJSIYSDSA-N 2 0 240.391 1.972 20 0 BDADRP C[NH+](C)Cc1ccccc1C[NH2+]CC1(O)CCC1 ZINC001338417294 978677254 /nfs/dbraw/zinc/67/72/54/978677254.db2.gz CUHWGJDONWSGCV-UHFFFAOYSA-N 2 0 248.370 1.753 20 0 BDADRP CCC(=O)C[NH+]1CCC2(CC[N@H+](C)C2)CC1 ZINC001277852111 978825582 /nfs/dbraw/zinc/82/55/82/978825582.db2.gz QXIWJCDZYCXEJZ-UHFFFAOYSA-N 2 0 224.348 1.383 20 0 BDADRP CCOCC[N@@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001277856361 978834827 /nfs/dbraw/zinc/83/48/27/978834827.db2.gz NPIIXWXPASXIOB-CQSZACIVSA-N 2 0 240.391 1.831 20 0 BDADRP C[C@@H](C[NH+]1CCCCC1)Nc1nccnc1C[NH3+] ZINC001339531572 978864724 /nfs/dbraw/zinc/86/47/24/978864724.db2.gz DNMXBRWJFFWRMD-NSHDSACASA-N 2 0 249.362 1.222 20 0 BDADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001339716133 978899218 /nfs/dbraw/zinc/89/92/18/978899218.db2.gz SMAVNHPFVVPCMI-NEPJUHHUSA-N 2 0 243.395 1.062 20 0 BDADRP [NH3+]CCCC[N@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001235038691 978957341 /nfs/dbraw/zinc/95/73/41/978957341.db2.gz PRIUBNXVAIHKLF-BDAKNGLRSA-N 2 0 204.264 1.312 20 0 BDADRP C(CN1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCCC[NH2+]1 ZINC001235187378 978992919 /nfs/dbraw/zinc/99/29/19/978992919.db2.gz WIXSKPOUOFWZLO-RDBSUJKOSA-N 2 0 237.391 1.060 20 0 BDADRP CC[C@H]([NH3+])CN1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001235217716 978999389 /nfs/dbraw/zinc/99/93/89/978999389.db2.gz GEUVEHXVVMSGEG-AEGPPILISA-N 2 0 245.370 1.295 20 0 BDADRP C[C@@H]1C[C@@H](NC(=O)C[C@H]([NH3+])C(C)(C)C)CC[NH2+]1 ZINC001340280784 979001929 /nfs/dbraw/zinc/00/19/29/979001929.db2.gz CYQRKKDJISQZFU-VWYCJHECSA-N 2 0 241.379 1.007 20 0 BDADRP C[C@H]([NH3+])CN1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235234288 979002682 /nfs/dbraw/zinc/00/26/82/979002682.db2.gz XEQOVNRATUCTLA-WCQYABFASA-N 2 0 225.380 1.188 20 0 BDADRP CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001277930221 979002739 /nfs/dbraw/zinc/00/27/39/979002739.db2.gz YFCPGYQZCRXJNT-NWDGAFQWSA-N 2 0 243.395 1.029 20 0 BDADRP CN(Cc1ccc(C[NH3+])cc1)[C@@H]1CCC[NH2+]C1 ZINC001235342054 979031450 /nfs/dbraw/zinc/03/14/50/979031450.db2.gz HDGDYRRKHCRXEU-CQSZACIVSA-N 2 0 233.359 1.329 20 0 BDADRP C[C@H]1C[NH2+]CCN1Cc1ccc2c(c1)C[NH2+]C2 ZINC001235361270 979034449 /nfs/dbraw/zinc/03/44/49/979034449.db2.gz NQEFRVURSVEUQR-NSHDSACASA-N 2 0 231.343 1.084 20 0 BDADRP CC[NH2+]CCN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235429516 979042397 /nfs/dbraw/zinc/04/23/97/979042397.db2.gz YVUUKJZTYFOUQF-UONOGXRCSA-N 2 0 239.407 1.308 20 0 BDADRP CC(C)[C@@H]1CN(Cc2cccc(C[NH3+])c2)CC[NH2+]1 ZINC001235475795 979053360 /nfs/dbraw/zinc/05/33/60/979053360.db2.gz YBSYTYNQHPWAFL-HNNXBMFYSA-N 2 0 247.386 1.575 20 0 BDADRP COCCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000151645347 979078324 /nfs/dbraw/zinc/07/83/24/979078324.db2.gz ZZVWBIGNBNZSJN-UHFFFAOYSA-N 2 0 226.364 1.487 20 0 BDADRP COCC[C@H]1CCCC[N@@H+]1CCCC[NH3+] ZINC001235688573 979116040 /nfs/dbraw/zinc/11/60/40/979116040.db2.gz RDRXVALCQCMQBO-GFCCVEGCSA-N 2 0 214.353 1.616 20 0 BDADRP CC(C)(C)OC(=O)[C@@H]1CC[N@H+](CCCC[NH3+])C1 ZINC001235713475 979130178 /nfs/dbraw/zinc/13/01/78/979130178.db2.gz FHXKMFMKAAXUSY-LLVKDONJSA-N 2 0 242.363 1.389 20 0 BDADRP COC(=O)C1(C)CC[NH+](CCCC[NH3+])CC1 ZINC001235718799 979133662 /nfs/dbraw/zinc/13/36/62/979133662.db2.gz NWIGNVOAUANTNJ-UHFFFAOYSA-N 2 0 228.336 1.000 20 0 BDADRP CC[C@H]1CN(CC[C@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001235724599 979133675 /nfs/dbraw/zinc/13/36/75/979133675.db2.gz RDOUYZJOOUKCBQ-QWHCGFSZSA-N 2 0 225.380 1.202 20 0 BDADRP [NH3+]Cc1ccccc1C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC001340945543 979172992 /nfs/dbraw/zinc/17/29/92/979172992.db2.gz SGXYWPLWRFVABE-PWSUYJOCSA-N 2 0 247.342 1.003 20 0 BDADRP CC(C)C[C@H]1CN(C[C@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001235878380 979176997 /nfs/dbraw/zinc/17/69/97/979176997.db2.gz JYBMOFYAWFKYHZ-KGLIPLIRSA-N 2 0 239.407 1.448 20 0 BDADRP Cc1cc(Cl)cc(CN(CC[NH3+])CC[NH3+])c1 ZINC001235880791 979178038 /nfs/dbraw/zinc/17/80/38/979178038.db2.gz PLYQBMQGELNKRT-UHFFFAOYSA-N 2 0 241.766 1.368 20 0 BDADRP C[C@@H]1CC[C@H]([NH3+])CN1C[C@@H]([NH3+])c1ccccc1 ZINC001235892394 979183831 /nfs/dbraw/zinc/18/38/31/979183831.db2.gz PIWDYLNVBNFRTN-KWCYVHTRSA-N 2 0 233.359 1.498 20 0 BDADRP [NH3+][C@@H]1CN(CCC[NH2+]C2CCCCC2)C[C@@H]1F ZINC001235894246 979187116 /nfs/dbraw/zinc/18/71/16/979187116.db2.gz XIMIFKDJHRJJLH-QWHCGFSZSA-N 2 0 243.370 1.280 20 0 BDADRP C[N@H+](CC1CC(F)(F)C1)C[C@@H]1CNC(C)(C)O1 ZINC001235906649 979199198 /nfs/dbraw/zinc/19/91/98/979199198.db2.gz OHIKNLGBXBOVGJ-JTQLQIEISA-N 2 0 248.317 1.688 20 0 BDADRP C[C@@H]1CC[C@@H]([NH3+])CN1Cc1ccc(C[NH3+])cc1 ZINC001235907667 979203498 /nfs/dbraw/zinc/20/34/98/979203498.db2.gz SBJPKUFCMWJUJJ-BXUZGUMPSA-N 3 0 233.359 1.457 20 0 BDADRP [NH3+][C@@H]1[C@@H]2CC[C@H]1CN(CC[C@H]1CCCC[NH2+]1)C2 ZINC001235958527 979225167 /nfs/dbraw/zinc/22/51/67/979225167.db2.gz HEBJUKSKHGBWQK-XJFOESAGSA-N 2 0 237.391 1.188 20 0 BDADRP CCN(CC1(C)CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC001235969828 979236757 /nfs/dbraw/zinc/23/67/57/979236757.db2.gz DNVHPDCHQWMILL-LBPRGKRZSA-N 2 0 225.380 1.060 20 0 BDADRP [NH3+][C@@]12CC[C@H]1C[N@H+](CC1CCCCC1)C2 ZINC001235981823 979258301 /nfs/dbraw/zinc/25/83/01/979258301.db2.gz XSJIHKYGKLXMJI-QWHCGFSZSA-N 2 0 208.349 1.990 20 0 BDADRP Cc1ccccc1CN1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235981363 979261070 /nfs/dbraw/zinc/26/10/70/979261070.db2.gz QFESPVRJCRGZSI-KBPBESRZSA-N 2 0 216.328 1.918 20 0 BDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CC(C)(C)[NH3+] ZINC001341336954 979341068 /nfs/dbraw/zinc/34/10/68/979341068.db2.gz LLZLRIGYUNNZOC-LLVKDONJSA-N 2 0 241.379 1.055 20 0 BDADRP Nc1cccc(CN2C[C@H]3CC[C@@H](C2)[NH2+]C3)c1 ZINC001236059655 979347851 /nfs/dbraw/zinc/34/78/51/979347851.db2.gz GURIYAWAJZHWSL-JSGCOSHPSA-N 2 0 231.343 1.453 20 0 BDADRP [NH3+]Cc1cccc(CN(C2CC2)C2C[NH2+]C2)c1 ZINC001236062965 979354988 /nfs/dbraw/zinc/35/49/88/979354988.db2.gz COXUOVIBPHIKSV-UHFFFAOYSA-N 2 0 231.343 1.082 20 0 BDADRP [NH3+][C@H](CN1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC001236094566 979383168 /nfs/dbraw/zinc/38/31/68/979383168.db2.gz DOJPGTTXRYJSMA-QLFBSQMISA-N 2 0 245.370 1.513 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](C)N1C[C@H]([NH3+])Cc1ccccc1 ZINC001236103641 979389197 /nfs/dbraw/zinc/38/91/97/979389197.db2.gz BAYKUTOKIRRVBV-UMVBOHGHSA-N 2 0 247.386 1.239 20 0 BDADRP CCCC[C@H]1CN(CCCCC[NH3+])CC[NH2+]1 ZINC001236134819 979401102 /nfs/dbraw/zinc/40/11/02/979401102.db2.gz HGCVYRYCCJPMRY-ZDUSSCGKSA-N 2 0 227.396 1.579 20 0 BDADRP CN(Cc1cccc2c[nH+]cn21)C[C@@H]1CCC[NH2+]1 ZINC001236123900 979401546 /nfs/dbraw/zinc/40/15/46/979401546.db2.gz HQQKCJXYNWXXEK-LBPRGKRZSA-N 2 0 244.342 1.518 20 0 BDADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC001341459092 979403231 /nfs/dbraw/zinc/40/32/31/979403231.db2.gz WPEXPODZOZEVJK-WHOHXGKFSA-N 2 0 241.379 1.007 20 0 BDADRP Fc1ccc([C@@H]2C[NH2+]CCN2C[C@@H]2CC[NH2+]2)cc1 ZINC001236131140 979405325 /nfs/dbraw/zinc/40/53/25/979405325.db2.gz VGZUDFWHYRLOBF-KBPBESRZSA-N 2 0 249.333 1.134 20 0 BDADRP CCC[C@@H]1C[NH2+]CCN1CC1(F)CC[NH2+]CC1 ZINC001236133188 979405996 /nfs/dbraw/zinc/40/59/96/979405996.db2.gz WMTITXQODHVWDK-GFCCVEGCSA-N 2 0 243.370 1.152 20 0 BDADRP CCCC[N@H+](CCCC[NH3+])CC(=O)OCC ZINC001236142544 979407120 /nfs/dbraw/zinc/40/71/20/979407120.db2.gz AHCWWAODSWUWLE-UHFFFAOYSA-N 2 0 230.352 1.391 20 0 BDADRP [NH3+][C@H]1CCN(Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001236174850 979437036 /nfs/dbraw/zinc/43/70/36/979437036.db2.gz ZZTWYRNYRXFHDR-JTQLQIEISA-N 2 0 216.288 1.096 20 0 BDADRP [NH3+]CCCC[N@@H+]1CC[C@H](Oc2ccccn2)C1 ZINC001236183969 979438663 /nfs/dbraw/zinc/43/86/63/979438663.db2.gz NRAYQGUMELTAQI-LBPRGKRZSA-N 2 0 235.331 1.274 20 0 BDADRP CC(C)N(C)[C@H]1CC[N@H+](CCCC[NH3+])C1 ZINC001236207519 979449313 /nfs/dbraw/zinc/44/93/13/979449313.db2.gz BHEGJYALPMBPBR-LBPRGKRZSA-N 2 0 213.369 1.140 20 0 BDADRP CN(C[C@@H]1CCC[NH2+]C1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236215809 979453043 /nfs/dbraw/zinc/45/30/43/979453043.db2.gz YEEXRTZQAUKIFO-FRRDWIJNSA-N 2 0 225.380 1.188 20 0 BDADRP CN(Cc1cccc(C[NH3+])c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236213685 979453372 /nfs/dbraw/zinc/45/33/72/979453372.db2.gz CYKDTPFHEGWXQO-HUUCEWRRSA-N 2 0 247.386 1.847 20 0 BDADRP CC(C)(C)[C@H]([NH3+])CC(=O)Nc1ccccc1C[NH3+] ZINC001341570792 979474259 /nfs/dbraw/zinc/47/42/59/979474259.db2.gz ICKNZRYYJJVYGN-GFCCVEGCSA-N 2 0 249.358 1.847 20 0 BDADRP C[C@@H]([NH3+])CN(Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001236269734 979480635 /nfs/dbraw/zinc/48/06/35/979480635.db2.gz NEALWTPNQNQZSX-UKRRQHHQSA-N 2 0 247.386 1.588 20 0 BDADRP CC[C@H](C(=O)Nc1cccc2c1C[NH2+]C2)[NH+](C)C ZINC001341622447 979493384 /nfs/dbraw/zinc/49/33/84/979493384.db2.gz JCRONKIWWGIXER-CYBMUJFWSA-N 2 0 247.342 1.569 20 0 BDADRP C[C@H]([NH3+])CN(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236288128 979493662 /nfs/dbraw/zinc/49/36/62/979493662.db2.gz WJIVNUVNFXZCSX-ZDUSSCGKSA-N 2 0 247.386 1.588 20 0 BDADRP CCC[NH+]1C[C@H]2C[NH+](CCCCO)C[C@@H]2C1 ZINC001236323230 979509258 /nfs/dbraw/zinc/50/92/58/979509258.db2.gz ZFMBKNCZTGYBKS-STQMWFEESA-N 2 0 226.364 1.033 20 0 BDADRP Cc1ccnn1C1CC[NH+](CCCC[NH3+])CC1 ZINC001236313861 979523909 /nfs/dbraw/zinc/52/39/09/979523909.db2.gz BPMUWZFYYIAEIX-UHFFFAOYSA-N 2 0 236.363 1.567 20 0 BDADRP c1cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)no1 ZINC001236316124 979529278 /nfs/dbraw/zinc/52/92/78/979529278.db2.gz OZUYDUXQZRSFQZ-PHIMTYICSA-N 2 0 221.304 1.106 20 0 BDADRP CCCN(C[C@@H]1CCCC[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC001236322639 979537511 /nfs/dbraw/zinc/53/75/11/979537511.db2.gz RMJIKDPMJBYXMV-QWHCGFSZSA-N 2 0 225.380 1.202 20 0 BDADRP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001236416710 979591149 /nfs/dbraw/zinc/59/11/49/979591149.db2.gz VVHIJUOUHWISHR-UPJWGTAASA-N 3 0 225.380 1.188 20 0 BDADRP C[C@@H]1[C@@H]([NH3+])CCCN1Cc1cccc(C[NH3+])c1 ZINC001236421043 979592109 /nfs/dbraw/zinc/59/21/09/979592109.db2.gz SGLWHAORECHWCT-RISCZKNCSA-N 2 0 233.359 1.457 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCCN1Cc1ccc2c(c1)C[NH2+]C2 ZINC001236415987 979592917 /nfs/dbraw/zinc/59/29/17/979592917.db2.gz BCPVGTXERDOWSH-IAQYHMDHSA-N 2 0 245.370 1.601 20 0 BDADRP CC(C)CN(C[C@@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC001236474078 979604099 /nfs/dbraw/zinc/60/40/99/979604099.db2.gz MUHVZYGXLTVXMR-UONOGXRCSA-N 2 0 239.407 1.448 20 0 BDADRP CC[C@H]([NH3+])CN(C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236584402 979666396 /nfs/dbraw/zinc/66/63/96/979666396.db2.gz AJDFMJKSLDKMAA-RYUDHWBXSA-N 2 0 225.380 1.188 20 0 BDADRP Cn1cccc1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205255811 979736795 /nfs/dbraw/zinc/73/67/95/979736795.db2.gz LCTHXVKZDAOLER-CYBMUJFWSA-N 2 0 221.348 1.728 20 0 BDADRP CCCN(C[C@H]1CC[NH2+]C1)C[C@@H]1CCCC[NH2+]1 ZINC001236833123 979745924 /nfs/dbraw/zinc/74/59/24/979745924.db2.gz YUMDOALEMCZPAY-KBPBESRZSA-N 2 0 239.407 1.450 20 0 BDADRP CCC[N@H+](CCCCCO)C[C@@H]1CC[NH2+]C1 ZINC001236826922 979748125 /nfs/dbraw/zinc/74/81/25/979748125.db2.gz DBCXLJDVNXWWRH-CYBMUJFWSA-N 2 0 228.380 1.471 20 0 BDADRP C[C@H]([NH3+])[C@H](C)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC001342276399 979750508 /nfs/dbraw/zinc/75/05/08/979750508.db2.gz UTQOHNPXYANOAA-QWRGUYRKSA-N 2 0 243.395 1.016 20 0 BDADRP CC[C@H](C(=O)Nc1ccccc1C[NH3+])[NH+](C)C ZINC001342339804 979777992 /nfs/dbraw/zinc/77/79/92/979777992.db2.gz HSNQCJSWQNENPF-GFCCVEGCSA-N 2 0 235.331 1.424 20 0 BDADRP CC(C)C[C@@](C)(C[NH3+])C(=O)NCCC(C)(C)[NH3+] ZINC001342366542 979785470 /nfs/dbraw/zinc/78/54/70/979785470.db2.gz ZHQAVUYROOTEOH-ZDUSSCGKSA-N 2 0 243.395 1.241 20 0 BDADRP C[C@H]([NH3+])CN(C1CCCC1)C1CC[NH+](C)CC1 ZINC001236950747 979798043 /nfs/dbraw/zinc/79/80/43/979798043.db2.gz QBXUDBAKVIXCSA-LBPRGKRZSA-N 2 0 239.407 1.672 20 0 BDADRP C[NH+](C)CCCN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC001278048644 979815027 /nfs/dbraw/zinc/81/50/27/979815027.db2.gz QEGVAYVITROLOG-AWEZNQCLSA-N 2 0 239.407 1.356 20 0 BDADRP CC[C@@H]([NH3+])CN(C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237143476 979822444 /nfs/dbraw/zinc/82/24/44/979822444.db2.gz GBPHBSDDVJMGGH-YPMHNXCESA-N 2 0 225.380 1.330 20 0 BDADRP CC[C@@H]([NH3+])CN(C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237143472 979822495 /nfs/dbraw/zinc/82/24/95/979822495.db2.gz GBPHBSDDVJMGGH-DGCLKSJQSA-N 2 0 225.380 1.330 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCC[C@H]1c1ncccn1 ZINC001237187795 979837201 /nfs/dbraw/zinc/83/72/01/979837201.db2.gz KURCIPXUNBBLAW-NSHDSACASA-N 2 0 220.320 1.352 20 0 BDADRP CC[C@H]([NH3+])CN1CC[NH2+]C2=CCCC[C@@H]21 ZINC001237218167 979848228 /nfs/dbraw/zinc/84/82/28/979848228.db2.gz FWOIWOCVZSOVOF-JQWIXIFHSA-N 2 0 209.337 1.065 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+](Cc1cccc(N)c1)CC2 ZINC001237219520 979851563 /nfs/dbraw/zinc/85/15/63/979851563.db2.gz JJBDPTBDBBCSHJ-UHFFFAOYSA-N 2 0 245.370 1.796 20 0 BDADRP CCC1(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)COC1 ZINC001237376069 979877695 /nfs/dbraw/zinc/87/76/95/979877695.db2.gz OPGQHGWMTMTZAU-CHWSQXEVSA-N 2 0 238.375 1.487 20 0 BDADRP C([C@H]1CCCC[NH2+]1)N1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237376126 979877962 /nfs/dbraw/zinc/87/79/62/979877962.db2.gz PQFZUBXBYGRVJC-MJBXVCDLSA-N 2 0 237.391 1.202 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)N1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237375343 979878801 /nfs/dbraw/zinc/87/88/01/979878801.db2.gz MANRXXKOTBVZSZ-HZSPNIEDSA-N 2 0 237.391 1.060 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[NH+]3CCC2CC3)CO1 ZINC001184135947 979947278 /nfs/dbraw/zinc/94/72/78/979947278.db2.gz XXLQGDJUTXOZRA-KGYLQXTDSA-N 2 0 224.348 1.095 20 0 BDADRP C[N@@H+]1CCC2(CN(CC[NH+]3CCCCC3)C2)C1 ZINC001278147058 980050762 /nfs/dbraw/zinc/05/07/62/980050762.db2.gz UCLZUJRWPZNSHG-UHFFFAOYSA-N 2 0 237.391 1.110 20 0 BDADRP C[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1cccc2c[nH+]cn21 ZINC001238110269 980163336 /nfs/dbraw/zinc/16/33/36/980163336.db2.gz MGKYOWMCFHROMV-KBPBESRZSA-N 2 0 242.326 1.223 20 0 BDADRP C[NH2+][C@H](C)CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC001345103459 980550318 /nfs/dbraw/zinc/55/03/18/980550318.db2.gz FSOAZOPXTHCMPD-RQJABVFESA-N 2 0 239.407 1.495 20 0 BDADRP Cc1cncc(C[N@H+](C)CC2CC[NH+](C)CC2)n1 ZINC001203169959 980720783 /nfs/dbraw/zinc/72/07/83/980720783.db2.gz DQOHAUWXHYCCEZ-UHFFFAOYSA-N 2 0 248.374 1.559 20 0 BDADRP C[NH+](C)Cc1ccccc1-c1cc(C[NH3+])ncn1 ZINC001239680241 980841466 /nfs/dbraw/zinc/84/14/66/980841466.db2.gz QSOVNUNVBTVVTA-UHFFFAOYSA-N 2 0 242.326 1.664 20 0 BDADRP OC1(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCCCCC1 ZINC001190436691 980873865 /nfs/dbraw/zinc/87/38/65/980873865.db2.gz HKLNNJHDVZXSPR-BETUJISGSA-N 2 0 238.375 1.223 20 0 BDADRP C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC000722691773 980908655 /nfs/dbraw/zinc/90/86/55/980908655.db2.gz ITGJVNYEATWJFL-YVECIDJPSA-N 2 0 208.349 1.716 20 0 BDADRP [NH3+]Cc1cncc(-c2cccn3c[nH+]cc23)c1 ZINC001239803854 980940858 /nfs/dbraw/zinc/94/08/58/980940858.db2.gz JCZITPTXIOMZME-UHFFFAOYSA-N 2 0 224.267 1.855 20 0 BDADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cc[nH]n2)CC1 ZINC001205545353 980945890 /nfs/dbraw/zinc/94/58/90/980945890.db2.gz DWEWGEBEBCEIJL-LLVKDONJSA-N 2 0 226.299 1.063 20 0 BDADRP C[C@@H]1C[C@@H]([NH+]2CCC(C[NH+](C)C)CC2)CCO1 ZINC000335545664 980960053 /nfs/dbraw/zinc/96/00/53/980960053.db2.gz XAQOXVTZZULCFV-OCCSQVGLSA-N 2 0 240.391 1.828 20 0 BDADRP CCC1(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)COC1 ZINC001205601323 981158264 /nfs/dbraw/zinc/15/82/64/981158264.db2.gz DKIXKXKCEVDXQU-STQMWFEESA-N 2 0 240.391 1.720 20 0 BDADRP Cc1ncc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)o1 ZINC001205637841 981379785 /nfs/dbraw/zinc/37/97/85/981379785.db2.gz JLMKVTXZWQFZSS-PWSUYJOCSA-N 2 0 237.347 1.790 20 0 BDADRP c1cc(N2CCOCC2)c(C2=CC[NH2+]CC2)c[nH+]1 ZINC001240466625 981399499 /nfs/dbraw/zinc/39/94/99/981399499.db2.gz CFKZRDWBXCTXKW-UHFFFAOYSA-N 2 0 245.326 1.295 20 0 BDADRP [NH3+]Cc1cccc(C2=CC[NH2+]CC2)c1F ZINC001240469707 981406213 /nfs/dbraw/zinc/40/62/13/981406213.db2.gz KZSMEYWFSRYLPI-UHFFFAOYSA-N 2 0 206.264 1.661 20 0 BDADRP Cc1ccc2c(c1)CC[C@H]2N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001348854945 981462592 /nfs/dbraw/zinc/46/25/92/981462592.db2.gz FGKWRDJMBUYIEC-BARDWOONSA-N 2 0 228.339 1.790 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1c1nc(C2([NH3+])CCC2)no1 ZINC001349303564 981528764 /nfs/dbraw/zinc/52/87/64/981528764.db2.gz WPPRQADMOSZXBH-RKDXNWHRSA-N 2 0 236.319 1.392 20 0 BDADRP c1cc(C2=CCC[NH2+]C2)cc2c1C1(C[NH2+]C1)OC2 ZINC001240669842 981578006 /nfs/dbraw/zinc/57/80/06/981578006.db2.gz AUDSJVGGCRTFEV-UHFFFAOYSA-N 2 0 242.322 1.392 20 0 BDADRP OC1(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CCC1 ZINC001580880498 981670534 /nfs/dbraw/zinc/67/05/34/981670534.db2.gz QGVXDOQEIGYUOQ-STQMWFEESA-N 2 0 238.375 1.223 20 0 BDADRP OC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC001580882251 981685459 /nfs/dbraw/zinc/68/54/59/981685459.db2.gz PSCMJTHVVYCIDQ-OLZOCXBDSA-N 2 0 226.364 1.223 20 0 BDADRP O[C@@H]1CCC[C@H]1[NH2+]Cc1ccc2c(c1)C[NH2+]CC2 ZINC001580884903 981711495 /nfs/dbraw/zinc/71/14/95/981711495.db2.gz USQBGGJEIOXSOY-HUUCEWRRSA-N 2 0 246.354 1.335 20 0 BDADRP c1cn(-c2csc(C[NH2+]CC3C[NH2+]C3)c2)cn1 ZINC001580896587 981735131 /nfs/dbraw/zinc/73/51/31/981735131.db2.gz JIZUZQJCHWUZAP-UHFFFAOYSA-N 2 0 248.355 1.243 20 0 BDADRP c1nn2c(c1C[NH2+]C[C@H]1CCC[NH2+]CC1)CCC2 ZINC001580898810 981742107 /nfs/dbraw/zinc/74/21/07/981742107.db2.gz RNXIKSHPZFHSCJ-LBPRGKRZSA-N 2 0 248.374 1.309 20 0 BDADRP Cc1ccc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)cc1 ZINC001205664062 981803932 /nfs/dbraw/zinc/80/39/32/981803932.db2.gz LCMAHZCKYCEJAD-OAHLLOKOSA-N 2 0 248.370 1.671 20 0 BDADRP C[NH+](C)Cc1ccnc(C=C2CC[NH2+]CC2)c1 ZINC001240875165 981920054 /nfs/dbraw/zinc/92/00/54/981920054.db2.gz KCSGTHFCQQKTHI-UHFFFAOYSA-N 2 0 231.343 1.910 20 0 BDADRP C[C@@H]1CCOCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC001352775827 982570447 /nfs/dbraw/zinc/57/04/47/982570447.db2.gz ATAHNPUPIDXJFK-NEPJUHHUSA-N 2 0 212.337 1.097 20 0 BDADRP [NH3+]C[C@]12CC[C@H]1CCCN2C[C@@H]1CCC[NH2+]C1 ZINC001352776664 982570892 /nfs/dbraw/zinc/57/08/92/982570892.db2.gz DEALFCXJKVWMEG-MGPQQGTHSA-N 2 0 237.391 1.189 20 0 BDADRP C[C@H]1CC[C@H](CN)[N@H+](CCC2CC[NH2+]CC2)C1 ZINC001205807116 982574120 /nfs/dbraw/zinc/57/41/20/982574120.db2.gz YAVAFCARIQLJSA-GXTWGEPZSA-N 2 0 239.407 1.435 20 0 BDADRP COC[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000238330625 982587301 /nfs/dbraw/zinc/58/73/01/982587301.db2.gz DROJZPLHJHWKEQ-NEPJUHHUSA-N 2 0 212.337 1.097 20 0 BDADRP CCCCC[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC001152432570 982680456 /nfs/dbraw/zinc/68/04/56/982680456.db2.gz LGMQCRQVHOWZEF-UHFFFAOYSA-N 2 0 243.395 1.223 20 0 BDADRP Cc1c[nH]c(=O)c(CN2C[C@H](C)CC[C@@H]2C[NH3+])c1 ZINC001205843937 982775182 /nfs/dbraw/zinc/77/51/82/982775182.db2.gz UVNBWVURQHNYRB-ZWNOBZJWSA-N 2 0 249.358 1.655 20 0 BDADRP Cc1cc(C)c(C(=O)N[C@H](C)C[NH3+])c(C)n1 ZINC001353612331 982923377 /nfs/dbraw/zinc/92/33/77/982923377.db2.gz BMFLRIYXGYQNBB-SECBINFHSA-N 2 0 221.304 1.084 20 0 BDADRP CC[N@@H+]1CCC[C@@H](C[NH2+]C[C@H]2CCCOC2)C1 ZINC001199842935 983027260 /nfs/dbraw/zinc/02/72/60/983027260.db2.gz JNRWPRJZKMAPQZ-UONOGXRCSA-N 2 0 240.391 1.735 20 0 BDADRP C([C@H]1CCC[NH2+]1)N1CCCC2(CC[NH2+]CC2)C1 ZINC001353936909 983088836 /nfs/dbraw/zinc/08/88/36/983088836.db2.gz WSRLUJKROJDYMP-CYBMUJFWSA-N 2 0 237.391 1.204 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)C23CC(C2)C[NH2+]3)c1 ZINC001353948325 983095358 /nfs/dbraw/zinc/09/53/58/983095358.db2.gz GWHCERILGSYASU-UHFFFAOYSA-N 2 0 245.326 1.144 20 0 BDADRP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(C[NH3+])cc1 ZINC001205903643 983126198 /nfs/dbraw/zinc/12/61/98/983126198.db2.gz QMVFWKDEIPAITK-WFASDCNBSA-N 3 0 247.386 1.705 20 0 BDADRP [NH3+]Cc1ccc(-c2cnc(C[NH3+])nc2)cc1 ZINC001241913912 983130963 /nfs/dbraw/zinc/13/09/63/983130963.db2.gz UQOMRONGBRZTJF-UHFFFAOYSA-N 2 0 214.272 1.061 20 0 BDADRP CC[NH+]1C[C@@H]2C[NH+](CC(C)(C)C)C[C@H]2C1 ZINC001201447813 983247636 /nfs/dbraw/zinc/24/76/36/983247636.db2.gz SDROAJWSPAGOMO-VXGBXAGGSA-N 2 0 210.365 1.916 20 0 BDADRP CC(C)C[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001201471473 983280456 /nfs/dbraw/zinc/28/04/56/983280456.db2.gz ULBAKSHBCZKIDX-UONOGXRCSA-N 2 0 239.407 1.353 20 0 BDADRP CCC[NH+]1CCN(CCC[NH+](CC)CC)CC1 ZINC001201643530 983398461 /nfs/dbraw/zinc/39/84/61/983398461.db2.gz PVUUZAAKPMYGHZ-UHFFFAOYSA-N 2 0 241.423 1.746 20 0 BDADRP CCC[NH+]1CCC([NH+]2CCC(OC)CC2)CC1 ZINC001201652523 983405748 /nfs/dbraw/zinc/40/57/48/983405748.db2.gz OYVDNKQPNJBVCA-UHFFFAOYSA-N 2 0 240.391 1.972 20 0 BDADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]CC1 ZINC001357454058 983719069 /nfs/dbraw/zinc/71/90/69/983719069.db2.gz SFWUNHOXEQGUGY-SRVKXCTJSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@H]([NH3+])[C@H](C)C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001358059679 983821568 /nfs/dbraw/zinc/82/15/68/983821568.db2.gz MQNQSMBBZKNSEI-IUCAKERBSA-N 2 0 233.315 1.212 20 0 BDADRP C[NH2+]CCCCC(=O)Nc1cccc2c1C[NH2+]C2 ZINC001358059466 983821986 /nfs/dbraw/zinc/82/19/86/983821986.db2.gz FNEFRTFEHCQKBO-UHFFFAOYSA-N 2 0 247.342 1.618 20 0 BDADRP CCC[N@H+](C)CCC(=O)NCC[NH+](C)C(C)C ZINC001492824239 984026984 /nfs/dbraw/zinc/02/69/84/984026984.db2.gz CBMSCWNQHLCYAF-UHFFFAOYSA-N 2 0 243.395 1.175 20 0 BDADRP C([C@@H]1CCCCO1)[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001574796410 984118424 /nfs/dbraw/zinc/11/84/24/984118424.db2.gz WPPFARPVLVDDGL-AGIUHOORSA-N 2 0 224.348 1.097 20 0 BDADRP C[C@@H](CCc1ccccc1)[NH2+]C[C@]1(O)CC[NH2+]C1 ZINC001575966485 984147530 /nfs/dbraw/zinc/14/75/30/984147530.db2.gz ORUCWAGHOBLKCF-ZFWWWQNUSA-N 2 0 248.370 1.322 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)[C@H](C)[NH3+] ZINC001576105927 984152612 /nfs/dbraw/zinc/15/26/12/984152612.db2.gz XPOMNWWANJOKSH-ZRHTZCORSA-N 2 0 224.348 1.125 20 0 BDADRP C[C@@H](O)[C@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC001576269231 984164097 /nfs/dbraw/zinc/16/40/97/984164097.db2.gz NROIECFBRJLLSK-UPJWGTAASA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H](O)C[C@@H]1CCC[N@@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576272532 984164874 /nfs/dbraw/zinc/16/48/74/984164874.db2.gz LYDHRFYQWQZHNU-XQHKEYJVSA-N 2 0 226.364 1.349 20 0 BDADRP C[C@@]1(C[NH2+]C[C@H]2OCc3ccccc32)CC[NH2+]C1 ZINC001576518820 984168348 /nfs/dbraw/zinc/16/83/48/984168348.db2.gz HLZLRXODPXWOEN-HUUCEWRRSA-N 2 0 246.354 1.847 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CC23CC(O)C3)C1 ZINC001576478504 984168906 /nfs/dbraw/zinc/16/89/06/984168906.db2.gz ACJSERAHPQHLKQ-WDBLDGLGSA-N 2 0 238.375 1.268 20 0 BDADRP COC(=O)[C@H](C)C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205981808 984185188 /nfs/dbraw/zinc/18/51/88/984185188.db2.gz HHAMASGAXOSYLJ-TUAOUCFPSA-N 2 0 242.363 1.102 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC001577124964 984191030 /nfs/dbraw/zinc/19/10/30/984191030.db2.gz ZYVKXENPHOAPCZ-BJDJZHNGSA-N 2 0 224.348 1.271 20 0 BDADRP C[N@H+](C[C@@H](O)CC1CCCC1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578442170 984212762 /nfs/dbraw/zinc/21/27/62/984212762.db2.gz OCZRVRSSSBHVMR-IGQOVBAYSA-N 2 0 238.375 1.077 20 0 BDADRP C[N@@H+]1CCCC[C@H]1CN[C@@H]1CC[NH2+]C12CCC2 ZINC001578528755 984214601 /nfs/dbraw/zinc/21/46/01/984214601.db2.gz KZKWWBDBEXAYQQ-QWHCGFSZSA-N 2 0 237.391 1.345 20 0 BDADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@H](C(C)C)C1 ZINC001578622699 984214974 /nfs/dbraw/zinc/21/49/74/984214974.db2.gz YNKPREJXXXLMTD-STQMWFEESA-N 2 0 228.380 1.325 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CCC=CO2)CCC[C@H]1C[NH3+] ZINC001205984470 984217746 /nfs/dbraw/zinc/21/77/46/984217746.db2.gz SCSOIVVQJCEMIH-HZSPNIEDSA-N 2 0 238.375 1.986 20 0 BDADRP COCC[C@@H]([NH3+])C[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC001579003316 984255377 /nfs/dbraw/zinc/25/53/77/984255377.db2.gz FFCBQNIRABIWLH-UPJWGTAASA-N 2 0 242.363 1.042 20 0 BDADRP C[C@H](c1ccccc1)[N@H+](CCO)CC1C[NH2+]C1 ZINC001579486691 984282012 /nfs/dbraw/zinc/28/20/12/984282012.db2.gz NTYARBAYWOBUIM-GFCCVEGCSA-N 2 0 234.343 1.261 20 0 BDADRP C[NH+](C)C1CCC([NH2+]CC2(CO)CCC2)CC1 ZINC000717632125 984335898 /nfs/dbraw/zinc/33/58/98/984335898.db2.gz KQDTXNKHXJJNRS-UHFFFAOYSA-N 2 0 240.391 1.611 20 0 BDADRP Cn1ccc(CN2C[C@H]3CCCC[C@]3(C[NH3+])C2)n1 ZINC001579971778 984360798 /nfs/dbraw/zinc/36/07/98/984360798.db2.gz ZCYCIBPCAXDBSO-OCCSQVGLSA-N 2 0 248.374 1.371 20 0 BDADRP C[C@@H]1C[C@@H]([N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)CC[NH2+]1 ZINC000718223582 984413846 /nfs/dbraw/zinc/41/38/46/984413846.db2.gz CCCTUOKZWCZENX-QTJJRWQNSA-N 2 0 236.359 1.236 20 0 BDADRP CC[C@@H](C)C[NH+]1CC2(CCN2CC[NH+](C)C)C1 ZINC001275064472 984465804 /nfs/dbraw/zinc/46/58/04/984465804.db2.gz HKQNGYHWDYDPNQ-CYBMUJFWSA-N 2 0 239.407 1.354 20 0 BDADRP O[C@@H]1CC[C@@H]2C[N@H+](CC[C@@H]3CC[NH2+]C3)C[C@@H]2C1 ZINC001580884583 984617865 /nfs/dbraw/zinc/61/78/65/984617865.db2.gz IBMXVJIUDUDZDT-RFQIPJPRSA-N 2 0 238.375 1.079 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]C1CC(CC[NH3+])C1 ZINC001577687731 984636668 /nfs/dbraw/zinc/63/66/68/984636668.db2.gz QXGKEXQAKJMUSC-HSBZDZAISA-N 3 0 241.423 1.824 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]C1CC2(C[NH2+]C2)C1 ZINC001577687596 984644123 /nfs/dbraw/zinc/64/41/23/984644123.db2.gz LVWNWRKCUGTMSN-GFCCVEGCSA-N 3 0 239.407 1.448 20 0 BDADRP CC[N@H+](C[C@H]1COC(C)(C)O1)C1CC[NH2+]CC1 ZINC001577711036 984652085 /nfs/dbraw/zinc/65/20/85/984652085.db2.gz NNTIQRZWNBADNT-LBPRGKRZSA-N 2 0 242.363 1.212 20 0 BDADRP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc[nH]3)C[C@H]2CC1 ZINC001275854076 984702397 /nfs/dbraw/zinc/70/23/97/984702397.db2.gz YQTQEVQAXJLDCN-BETUJISGSA-N 2 0 233.359 1.788 20 0 BDADRP C[N@@H+]1CCC2(C1)CC[NH+](Cc1cccnc1)CC2 ZINC001275885105 984705969 /nfs/dbraw/zinc/70/59/69/984705969.db2.gz WVYOUDKJQGNMLD-UHFFFAOYSA-N 2 0 245.370 1.999 20 0 BDADRP CC[N@@H+]1CCC[C@H](N[C@H]2C[NH2+]CCC2(F)F)C1 ZINC001577771334 984728234 /nfs/dbraw/zinc/72/82/34/984728234.db2.gz VBBATKGBFJJYJQ-QWRGUYRKSA-N 2 0 247.333 1.058 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H]2C[NH2+]CC23CC3)CC1 ZINC001577764367 984739564 /nfs/dbraw/zinc/73/95/64/984739564.db2.gz YVFNBIVWNMWJJW-CYBMUJFWSA-N 3 0 237.391 1.060 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC(C)(C)[NH3+] ZINC001577770148 984759217 /nfs/dbraw/zinc/75/92/17/984759217.db2.gz APHZKYSDULZAKS-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3c[nH]nc3C)(C1)CCC2 ZINC001276067181 984809650 /nfs/dbraw/zinc/80/96/50/984809650.db2.gz BXWQCJRDQQVLTI-UONOGXRCSA-N 2 0 248.374 1.873 20 0 BDADRP CC[NH2+][C@H](C)CN[C@@H]1CCC[N@H+](CC)C1 ZINC001577887163 984813002 /nfs/dbraw/zinc/81/30/02/984813002.db2.gz PSQASCXIMGHYJI-VXGBXAGGSA-N 2 0 213.369 1.058 20 0 BDADRP CCNc1ccccc1C[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC001577901924 984814355 /nfs/dbraw/zinc/81/43/55/984814355.db2.gz DBCLSLKMVOIMSO-HAQNSBGRSA-N 2 0 219.332 1.698 20 0 BDADRP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc[nH]c1 ZINC001276103192 984815162 /nfs/dbraw/zinc/81/51/62/984815162.db2.gz FVPPYFSJIDNVDA-YHWZYXNKSA-N 2 0 219.332 1.730 20 0 BDADRP CCOC(=O)C1(C[NH2+]CC(C)(C)C[NH3+])CCC1 ZINC001577929066 984821526 /nfs/dbraw/zinc/82/15/26/984821526.db2.gz XHQSKEKAYUJEKU-UHFFFAOYSA-N 2 0 242.363 1.294 20 0 BDADRP CCOC(=O)C1(C)CC([NH2+][C@H](C)CC[NH3+])C1 ZINC001577925206 984823072 /nfs/dbraw/zinc/82/30/72/984823072.db2.gz FYULVGCANHSVMG-GRZMOONWSA-N 2 0 228.336 1.045 20 0 BDADRP CCOC(=O)C1(C)CC([NH2+][C@H](C)C[C@H](C)[NH3+])C1 ZINC001577925243 984823258 /nfs/dbraw/zinc/82/32/58/984823258.db2.gz GOUDJGVJYAYFRR-KIENENRBSA-N 2 0 242.363 1.434 20 0 BDADRP CCOC(=O)CCC[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC001577945937 984828060 /nfs/dbraw/zinc/82/80/60/984828060.db2.gz QFGUMCLXXDALCF-VXGBXAGGSA-N 2 0 242.363 1.246 20 0 BDADRP Cc1ncoc1C[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001276216440 984831218 /nfs/dbraw/zinc/83/12/18/984831218.db2.gz UYGYEVIARASBGT-BETUJISGSA-N 2 0 249.358 1.757 20 0 BDADRP CCOCC(C)(C)[NH2+]C[C@@H]([NH3+])CC(F)F ZINC001578101934 984852149 /nfs/dbraw/zinc/85/21/49/984852149.db2.gz AYDFQPGURLNEST-QMMMGPOBSA-N 2 0 224.295 1.374 20 0 BDADRP CCO[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001578151427 984855984 /nfs/dbraw/zinc/85/59/84/984855984.db2.gz JLMYEOBCZSMAED-REWJHTLYSA-N 2 0 240.391 1.922 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]CC(C)(C)[NH3+])[C@@H]1SC ZINC001578158472 984858727 /nfs/dbraw/zinc/85/87/27/984858727.db2.gz CWZIGPREOSMHLY-BBBLOLIVSA-N 2 0 232.393 1.222 20 0 BDADRP CC[C@H]1[NH2+]CC[C@@H]1[NH2+]CC[C@H]1CCOC1 ZINC001578242015 984894879 /nfs/dbraw/zinc/89/48/79/984894879.db2.gz XDVSATOSYPPHKP-TUAOUCFPSA-N 2 0 212.337 1.143 20 0 BDADRP CCn1ccnc1[C@@H](C)[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001578357143 984998081 /nfs/dbraw/zinc/99/80/81/984998081.db2.gz NUVNGOCNXAJVGL-YLXHPXFOSA-N 2 0 234.347 1.433 20 0 BDADRP C[NH+](C)C1(CNCC23CC(C2)C[NH2+]3)CCCC1 ZINC001578408789 985045965 /nfs/dbraw/zinc/04/59/65/985045965.db2.gz BRSORESVEDJQHE-UHFFFAOYSA-N 2 0 237.391 1.202 20 0 BDADRP C[N@H+](C[C@@H]1C[C@@]12CCOC2)CC1CC[NH2+]CC1 ZINC001578458722 985093326 /nfs/dbraw/zinc/09/33/26/985093326.db2.gz URWGOWBPRUOCCH-UONOGXRCSA-N 2 0 238.375 1.344 20 0 BDADRP C[N@H+](Cc1cc[nH]c(=O)c1)CC(C)(C)C[NH3+] ZINC001578498268 985119384 /nfs/dbraw/zinc/11/93/84/985119384.db2.gz FVFCSFPBSVCILU-UHFFFAOYSA-N 2 0 223.320 1.204 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)[C@@H](C)O1 ZINC000686512771 985127253 /nfs/dbraw/zinc/12/72/53/985127253.db2.gz WOWPMNUABKOSRJ-NJMOYASZSA-N 2 0 238.375 1.659 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@H]([NH3+])C3)[C@H]2C1 ZINC001578521170 985140717 /nfs/dbraw/zinc/14/07/17/985140717.db2.gz MJGAKUBNPWHAFI-HPCHECBXSA-N 3 0 237.391 1.186 20 0 BDADRP CN1CCC([NH2+]CC[C@H]2CCC[NH2+]CC2)CC1 ZINC001578525492 985147103 /nfs/dbraw/zinc/14/71/03/985147103.db2.gz XYYFTPMCIDGUSP-ZDUSSCGKSA-N 2 0 239.407 1.450 20 0 BDADRP C[N@@H+]1CCCC[C@@H](C[NH2+]C2CC3(C[C@@H]3[NH3+])C2)C1 ZINC001578529047 985160394 /nfs/dbraw/zinc/16/03/94/985160394.db2.gz PGBAEYKBQYTTGT-AHPWVWPOSA-N 3 0 237.391 1.188 20 0 BDADRP C([NH2+][C@H]1CCCSC1)C12CC[NH+](CC1)CC2 ZINC001257663458 985240990 /nfs/dbraw/zinc/24/09/90/985240990.db2.gz ZRHRBLBSAZYLJQ-LBPRGKRZSA-N 2 0 240.416 1.958 20 0 BDADRP C([NH2+][C@@H]1CCCSC1)C12CC[NH+](CC1)CC2 ZINC001257663457 985244202 /nfs/dbraw/zinc/24/42/02/985244202.db2.gz ZRHRBLBSAZYLJQ-GFCCVEGCSA-N 2 0 240.416 1.958 20 0 BDADRP C[NH2+]C[C@@H](O)C[N@H+](C)CCCCC(F)(F)F ZINC001578652785 985265697 /nfs/dbraw/zinc/26/56/97/985265697.db2.gz ORPUIUKLJSTCTB-SECBINFHSA-N 2 0 242.285 1.231 20 0 BDADRP C[NH2+]C[C@H](O)C[N@H+](C)CCCCC(F)(F)F ZINC001578652786 985267652 /nfs/dbraw/zinc/26/76/52/985267652.db2.gz ORPUIUKLJSTCTB-VIFPVBQESA-N 2 0 242.285 1.231 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@H+](C[C@@]2(C)CCCCO2)C1 ZINC001578657303 985271697 /nfs/dbraw/zinc/27/16/97/985271697.db2.gz UVANSRMGNNFYOJ-ZIAGYGMSSA-N 2 0 240.391 1.877 20 0 BDADRP C[NH2+]CCC[NH2+]C(C)(C)[C@@H]1CCCCO1 ZINC001578686842 985297740 /nfs/dbraw/zinc/29/77/40/985297740.db2.gz PBFXIOZRUJZIGT-NSHDSACASA-N 2 0 214.353 1.533 20 0 BDADRP CO[C@H]1CC[C@@H](C)[N@H+](CC2CC[NH2+]CC2)C1 ZINC000687252866 985273879 /nfs/dbraw/zinc/27/38/79/985273879.db2.gz ASFAOCSKIYOHFS-YPMHNXCESA-N 2 0 226.364 1.485 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](CC[C@@H](O)C(C)C)C1 ZINC001578656432 985274196 /nfs/dbraw/zinc/27/41/96/985274196.db2.gz IWBYACLFZIWTDK-QWHCGFSZSA-N 2 0 228.380 1.325 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](CC2CCC(OC)CC2)C1 ZINC001578664188 985279927 /nfs/dbraw/zinc/27/99/27/985279927.db2.gz PTSIFAGCVKHXPW-MOKVOYLWSA-N 2 0 240.391 1.733 20 0 BDADRP C[NH2+]CCC1CC[NH+](CC2=NOCC2)CC1 ZINC001578677899 985291075 /nfs/dbraw/zinc/29/10/75/985291075.db2.gz SBOOGJXQLSIGRU-UHFFFAOYSA-N 2 0 225.336 1.084 20 0 BDADRP COC(=O)C(C)(C)CC[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC001578766159 985330051 /nfs/dbraw/zinc/33/00/51/985330051.db2.gz ANDFSFRWZUATLA-UWVGGRQHSA-N 2 0 242.363 1.291 20 0 BDADRP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC001578790680 985360786 /nfs/dbraw/zinc/36/07/86/985360786.db2.gz VUCZEBMZFIUNKB-LZQZFOIKSA-N 2 0 240.347 1.044 20 0 BDADRP COC(=O)[C@@H]1CC[N@H+](CCC[NH2+]C2CC2)[C@H]1C ZINC001578790512 985364003 /nfs/dbraw/zinc/36/40/03/985364003.db2.gz YDFVBOIREWDCPM-CMPLNLGQSA-N 2 0 240.347 1.012 20 0 BDADRP COC(=O)CC1(NC[C@H]2CCC[NH2+]2)CCCC1 ZINC001578803663 985364285 /nfs/dbraw/zinc/36/42/85/985364285.db2.gz VYPYZMTWSYXLFJ-LLVKDONJSA-N 2 0 240.347 1.204 20 0 BDADRP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C[C@@H](C)[NH3+] ZINC001578795637 985365546 /nfs/dbraw/zinc/36/55/46/985365546.db2.gz BBNHADSNUWXBMP-NXEZZACHSA-N 2 0 230.352 1.291 20 0 BDADRP COC(C)(C)[C@@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC001578892869 985456873 /nfs/dbraw/zinc/45/68/73/985456873.db2.gz MATDNFNPKOUAFM-MXWKQRLJSA-N 2 0 214.353 1.245 20 0 BDADRP CO[C@](C)(C[NH2+]C1CC2(C[C@H]2[NH3+])C1)C1CC1 ZINC001578897861 985476725 /nfs/dbraw/zinc/47/67/25/985476725.db2.gz ZJCNFQWJABRSLW-QZQSVVMZSA-N 2 0 224.348 1.271 20 0 BDADRP C[C@H]1COC[C@@H]1[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000688022748 985495556 /nfs/dbraw/zinc/49/55/56/985495556.db2.gz GFACLUDVTMQHOG-KBPBESRZSA-N 2 0 240.391 1.733 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2COC[C@@H]2C)C1 ZINC000688030321 985507391 /nfs/dbraw/zinc/50/73/91/985507391.db2.gz QXDIHBQLQROKGR-XQQFMLRXSA-N 2 0 226.364 1.343 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CCCC[C@H]1[NH3+])C1CC1 ZINC001578913256 985515765 /nfs/dbraw/zinc/51/57/65/985515765.db2.gz SYHWBJZDAASVKP-IJLUTSLNSA-N 2 0 212.337 1.271 20 0 BDADRP CO[C@@H](C[NH2+]CC1(C[NH3+])CC1)CC(C)C ZINC001578912825 985519494 /nfs/dbraw/zinc/51/94/94/985519494.db2.gz NIVVLNKNYDPBBB-LLVKDONJSA-N 2 0 214.353 1.376 20 0 BDADRP COC1(C[NH2+]CC23CC(C2)C[NH2+]3)CCCCC1 ZINC001578929811 985532030 /nfs/dbraw/zinc/53/20/30/985532030.db2.gz KSTSMRAJJCNICJ-UHFFFAOYSA-N 2 0 238.375 1.677 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@H]2COC[C@H]2C)CC1 ZINC000688051490 985534201 /nfs/dbraw/zinc/53/42/01/985534201.db2.gz ZJXKJOBACATZIS-YPMHNXCESA-N 2 0 226.364 1.484 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CC[NH2+][C@@H]2C)C1 ZINC001578936378 985546269 /nfs/dbraw/zinc/54/62/69/985546269.db2.gz DFLKPQMRJKBZBW-KXNHARMFSA-N 2 0 212.337 1.284 20 0 BDADRP CO[C@H]1CCC[C@H]([NH2+][C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC001578938014 985550331 /nfs/dbraw/zinc/55/03/31/985550331.db2.gz QPTOCBZQOABQAH-FQUUOJAGSA-N 2 0 238.375 1.818 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+][C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC001578938015 985554998 /nfs/dbraw/zinc/55/49/98/985554998.db2.gz QPTOCBZQOABQAH-RQJABVFESA-N 2 0 238.375 1.818 20 0 BDADRP COC[C@H]1CCC[N@@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578987103 985610141 /nfs/dbraw/zinc/61/01/41/985610141.db2.gz VAPKPSRFLNVXPC-QJPTWQEYSA-N 2 0 212.337 1.225 20 0 BDADRP COCC[C@@H]([NH3+])C[NH2+][C@@H](C)CC(C)(C)OC ZINC001579002863 985652619 /nfs/dbraw/zinc/65/26/19/985652619.db2.gz ULLSJYUMQUYQPN-WDEREUQCSA-N 2 0 232.368 1.143 20 0 BDADRP COCC[C@@H]([NH3+])C[NH2+]CC[C@@H]1CCSC1 ZINC001579003367 985659269 /nfs/dbraw/zinc/65/92/69/985659269.db2.gz GQTLMEABQLFMOH-GHMZBOCLSA-N 2 0 232.393 1.083 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC001579114622 985749425 /nfs/dbraw/zinc/74/94/25/985749425.db2.gz RNFDYJNTNQXEMI-NNYUYHANSA-N 2 0 212.337 1.271 20 0 BDADRP C[N@H+](CCO)CCC[NH2+][C@@H]1CCCC(C)(C)C1 ZINC001258281988 985790606 /nfs/dbraw/zinc/79/06/06/985790606.db2.gz DKKNNJUYEDJQEY-CYBMUJFWSA-N 2 0 242.407 1.859 20 0 BDADRP CO[C@@]1(C)C[C@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC001579129759 985805772 /nfs/dbraw/zinc/80/57/72/985805772.db2.gz JMMHIHANVIRUMR-HCWSGVFWSA-N 2 0 212.337 1.271 20 0 BDADRP CO[C@H]1c2ccccc2C[C@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC001579132661 985807896 /nfs/dbraw/zinc/80/78/96/985807896.db2.gz FXKQLUISRQOBKD-BQPHKTIFSA-N 2 0 246.354 1.626 20 0 BDADRP COc1cc(C)c(C[NH2+][C@H]2C[C@@H]([NH3+])C2)c(C)n1 ZINC001579144689 985812103 /nfs/dbraw/zinc/81/21/03/985812103.db2.gz MGBJWWZWTLHGLY-PHIMTYICSA-N 2 0 235.331 1.286 20 0 BDADRP COc1cc(CC[NH2+]CC2(C[NH3+])CCC2)ccn1 ZINC001579150379 985815277 /nfs/dbraw/zinc/81/52/77/985815277.db2.gz IQQQOOCUADVDCQ-UHFFFAOYSA-N 2 0 249.358 1.351 20 0 BDADRP CS[C@@H]1CC[C@H]1N[C@H]1CC[NH2+][C@@H]1C ZINC001579366922 985859051 /nfs/dbraw/zinc/85/90/51/985859051.db2.gz GOCWBDGHMZUXFU-UTINFBMNSA-N 2 0 200.351 1.220 20 0 BDADRP CS[C@@H]1CC[C@@H]1N[C@@H]1C[NH2+]C[C@H]1C ZINC001579366686 985859355 /nfs/dbraw/zinc/85/93/55/985859355.db2.gz AJDIKKQTPMJJHT-UTINFBMNSA-N 2 0 200.351 1.078 20 0 BDADRP CSC1(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC001579365481 985859659 /nfs/dbraw/zinc/85/96/59/985859659.db2.gz NQNLJINFMRULFV-ZJUUUORDSA-N 2 0 214.378 1.327 20 0 BDADRP C[C@@H]1CC[C@H](CO)[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001579429241 985916587 /nfs/dbraw/zinc/91/65/87/985916587.db2.gz MNJFHOKHSPDGLK-JHJVBQTASA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCCOC1 ZINC001579454001 985943373 /nfs/dbraw/zinc/94/33/73/985943373.db2.gz RCTUKWHAQFWLHB-UTUOFQBUSA-N 2 0 212.337 1.001 20 0 BDADRP C[C@H](O)C[NH+]1CCC2(CCC[C@H]2C[NH3+])CC1 ZINC001579484617 986007228 /nfs/dbraw/zinc/00/72/28/986007228.db2.gz DSLXLIJNGHCJAE-RYUDHWBXSA-N 2 0 226.364 1.208 20 0 BDADRP Cc1c[nH]c(=O)c(C[NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC001579544070 986075639 /nfs/dbraw/zinc/07/56/39/986075639.db2.gz QDXNRSDWPDPGPJ-RYUDHWBXSA-N 2 0 249.358 1.573 20 0 BDADRP Cc1cc(C)c2c(c1)CC[N@@H+](C[C@@H](O)CC[NH3+])C2 ZINC001579577046 986094462 /nfs/dbraw/zinc/09/44/62/986094462.db2.gz WPAJCORVNSMKNB-AWEZNQCLSA-N 2 0 248.370 1.371 20 0 BDADRP Cc1cc(C)cc(CC[N@@H+](C)C[C@@H](O)C[NH3+])c1 ZINC001579579628 986094983 /nfs/dbraw/zinc/09/49/83/986094983.db2.gz KFFDZQPXAUMPMC-AWEZNQCLSA-N 2 0 236.359 1.097 20 0 BDADRP Cc1cc(C[NH2+]C2CC3(CC([NH3+])C3)C2)n(C)n1 ZINC001579601372 986122759 /nfs/dbraw/zinc/12/27/59/986122759.db2.gz PNFMWHGSYAPDAC-UHFFFAOYSA-N 2 0 234.347 1.088 20 0 BDADRP CCC[NH+]1CCC([N@@H+]2CCC[C@@H](O)CC2)CC1 ZINC001258771730 986153562 /nfs/dbraw/zinc/15/35/62/986153562.db2.gz RCIHLGYYSPCALI-CQSZACIVSA-N 2 0 240.391 1.708 20 0 BDADRP CCC[NH+]1CCC([N@@H+]2C[C@@H]3COC[C@@H]3C2)CC1 ZINC001258771899 986154947 /nfs/dbraw/zinc/15/49/47/986154947.db2.gz AAIGUDFJMSZFSF-BETUJISGSA-N 2 0 238.375 1.439 20 0 BDADRP Cc1ccc(CC[NH2+][C@H]2COC3(C[NH2+]C3)C2)cc1 ZINC001579687739 986174258 /nfs/dbraw/zinc/17/42/58/986174258.db2.gz NWJNDOVGNPFOND-CQSZACIVSA-N 2 0 246.354 1.258 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cccnc3)[C@H]2C1 ZINC001461832163 986190880 /nfs/dbraw/zinc/19/08/80/986190880.db2.gz UBEXWJHICKHHPT-IHRRRGAJSA-N 2 0 231.343 1.511 20 0 BDADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@]1(O)CCC[NH2+]C1 ZINC001579807046 986222451 /nfs/dbraw/zinc/22/24/51/986222451.db2.gz TZVLSAYJWFFXDI-HIFRSBDPSA-N 2 0 248.370 1.760 20 0 BDADRP Cc1ccncc1C[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001579814891 986238135 /nfs/dbraw/zinc/23/81/35/986238135.db2.gz SEIFPPMMVGYSAV-OTTFEQOBSA-N 2 0 217.316 1.359 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@]2(C)CCCCO2)C1 ZINC001462084301 986281662 /nfs/dbraw/zinc/28/16/62/986281662.db2.gz ZYIIXTPUGCUMDK-KBPBESRZSA-N 2 0 240.391 1.829 20 0 BDADRP Cc1nc(CN[C@H]2C[C@@H]([NH3+])C2)sc1C ZINC001579858689 986282345 /nfs/dbraw/zinc/28/23/45/986282345.db2.gz LCBCAXMERYEBOT-DTORHVGOSA-N 2 0 211.334 1.339 20 0 BDADRP Cc1nc2ccccn2c1C[NH2+][C@H]1C[C@@H]([NH3+])C1 ZINC001579872440 986288092 /nfs/dbraw/zinc/28/80/92/986288092.db2.gz IZGDFCCQAJARFQ-PHIMTYICSA-N 2 0 230.315 1.222 20 0 BDADRP CC[NH+]1CCC(C[NH2+]C[C@H]2CC[C@@H](O)C2)CC1 ZINC001462190021 986309979 /nfs/dbraw/zinc/30/99/79/986309979.db2.gz IWKZYVPLHJDFKS-UONOGXRCSA-N 2 0 240.391 1.469 20 0 BDADRP Cc1nn(C)cc1C[NH2+]C1CC2(CC([NH3+])C2)C1 ZINC001579893374 986310372 /nfs/dbraw/zinc/31/03/72/986310372.db2.gz VWSXXRIZOCJMQJ-UHFFFAOYSA-N 2 0 234.347 1.088 20 0 BDADRP Cn1cc(C[N@@H+]2C[C@H]3CCCC[C@]3(C[NH3+])C2)cn1 ZINC001579961278 986365323 /nfs/dbraw/zinc/36/53/23/986365323.db2.gz HBQXGXVDDRDGDH-KGLIPLIRSA-N 2 0 248.374 1.371 20 0 BDADRP C[C@H](Cc1ccno1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001462383043 986369524 /nfs/dbraw/zinc/36/95/24/986369524.db2.gz LYHUJKMXRWRUFT-UTUOFQBUSA-N 2 0 237.347 1.535 20 0 BDADRP Cn1cc([C@@H]2C[C@H]2C[N@@H+]2CCC[C@@H](C[NH3+])C2)cn1 ZINC001579970453 986372108 /nfs/dbraw/zinc/37/21/08/986372108.db2.gz XJRBWEBCFZVCIW-SGMGOOAPSA-N 2 0 248.374 1.194 20 0 BDADRP Cn1cc([C@@H]2C[C@H]2C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC001579970138 986372164 /nfs/dbraw/zinc/37/21/64/986372164.db2.gz PLUHCDKSYGPOCJ-AHLTXXRQSA-N 2 0 248.374 1.383 20 0 BDADRP Fc1cccc(CC[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c1 ZINC001580033635 986433212 /nfs/dbraw/zinc/43/32/12/986433212.db2.gz VFFUMURBVLPCFD-KGLIPLIRSA-N 2 0 248.345 1.910 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1(F)F ZINC000689260492 986469489 /nfs/dbraw/zinc/46/94/89/986469489.db2.gz IAFIYMOJWWYJOR-IQMQYZSSSA-N 2 0 242.313 1.618 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001462662582 986488143 /nfs/dbraw/zinc/48/81/43/986488143.db2.gz CXPNCRDIXHMUSA-FPYNETTCSA-N 2 0 226.364 1.340 20 0 BDADRP C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCSC1 ZINC000642860585 986573783 /nfs/dbraw/zinc/57/37/83/986573783.db2.gz KKYCTSLYUYEKLL-KXUCPTDWSA-N 2 0 200.351 1.161 20 0 BDADRP [NH3+][C@@H](CC(=O)Nc1ccc2c[nH+]cn2c1)C1CC1 ZINC001580121276 986585169 /nfs/dbraw/zinc/58/51/69/986585169.db2.gz PALVLJZQNBHCJC-LBPRGKRZSA-N 2 0 244.298 1.400 20 0 BDADRP FC1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000689419361 986588974 /nfs/dbraw/zinc/58/89/74/986588974.db2.gz GRAHRSRRJALLEE-UHFFFAOYSA-N 2 0 214.328 1.810 20 0 BDADRP [NH3+]CCC1CCC([NH2+][C@H]2CCCOC2)CC1 ZINC001254369572 986601053 /nfs/dbraw/zinc/60/10/53/986601053.db2.gz ITEMOIVKUBJSJR-BPCQOVAHSA-N 2 0 226.364 1.663 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+]C[C@H]1CCSC1)C2 ZINC001580163383 986636498 /nfs/dbraw/zinc/63/64/98/986636498.db2.gz AGWGEKSCVVNDJS-BZCXBAJXSA-N 2 0 212.362 1.209 20 0 BDADRP [NH3+]C1CC2(C1)CC([NH2+]Cc1ccco1)C2 ZINC001580165144 986637606 /nfs/dbraw/zinc/63/76/06/986637606.db2.gz FVXZMNSMIUCQCL-UHFFFAOYSA-N 2 0 206.289 1.639 20 0 BDADRP [NH3+][C@H]1CC12CC([NH2+]CCc1ccns1)C2 ZINC001580164372 986637913 /nfs/dbraw/zinc/63/79/13/986637913.db2.gz HUQRJWYYKPBQEX-JZQLECPJSA-N 2 0 223.345 1.155 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+]CCc1ccoc1)C2 ZINC001580167225 986642349 /nfs/dbraw/zinc/64/23/49/986642349.db2.gz VWIPXITVWSNUNO-MOENNCHZSA-N 2 0 206.289 1.292 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCC3(C2)OCCO3)C1 ZINC001580176695 986648110 /nfs/dbraw/zinc/64/81/10/986648110.db2.gz QMHYAMJQMSTUNR-UTUOFQBUSA-N 2 0 240.347 1.142 20 0 BDADRP COC[C@@H]1CC[N@@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254517549 986658188 /nfs/dbraw/zinc/65/81/88/986658188.db2.gz VFQREGCBRDOVPO-OLZOCXBDSA-N 2 0 226.364 1.439 20 0 BDADRP C[C@@H]1CN([C@H]2CCC[NH+](C)CC2)C[C@H](C)[N@H+]1C ZINC001254525719 986665270 /nfs/dbraw/zinc/66/52/70/986665270.db2.gz LJTGQHSZFMHDGS-MJBXVCDLSA-N 2 0 239.407 1.495 20 0 BDADRP C[NH+](C)[C@H]1CCCN([C@H]2CCC[N@H+](C)CC2)C1 ZINC001254523629 986671432 /nfs/dbraw/zinc/67/14/32/986671432.db2.gz QJURLFBWLOQYLB-KBPBESRZSA-N 2 0 239.407 1.497 20 0 BDADRP [NH3+]C[C@@]12CN(Cc3ncccn3)C[C@H]1CCCC2 ZINC001580256779 986709325 /nfs/dbraw/zinc/70/93/25/986709325.db2.gz XUVAZIJGUPPUOE-OCCSQVGLSA-N 2 0 246.358 1.428 20 0 BDADRP [NH3+]C[C@]12CN(Cc3cc[nH]n3)C[C@@H]1CCCC2 ZINC001580256863 986711883 /nfs/dbraw/zinc/71/18/83/986711883.db2.gz YNXUMRXOQKKZPE-WCQYABFASA-N 2 0 234.347 1.361 20 0 BDADRP [NH3+]CCC1CC([NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC001580286507 986730292 /nfs/dbraw/zinc/73/02/92/986730292.db2.gz HGDDOGMVYQBEFI-KIDURHIOSA-N 2 0 212.337 1.007 20 0 BDADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC001580333830 986779021 /nfs/dbraw/zinc/77/90/21/986779021.db2.gz QBIIZXRGCWKCBR-SWYYREQYSA-N 2 0 236.359 1.127 20 0 BDADRP [NH3+]Cc1cccc(C[NH2+]CCC2CSC2)c1 ZINC001580342841 986780081 /nfs/dbraw/zinc/78/00/81/986780081.db2.gz KQHJRZLPRJFNED-UHFFFAOYSA-N 2 0 236.384 1.988 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2C[C@@H]3COC[C@H]23)cc1 ZINC001580339650 986783964 /nfs/dbraw/zinc/78/39/64/986783964.db2.gz SHFFZVDYBVMQTL-HZSPNIEDSA-N 2 0 232.327 1.270 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC1CCC(O)CC1 ZINC001580372062 986799416 /nfs/dbraw/zinc/79/94/16/986799416.db2.gz QUNYPFZHDCYHQX-FIYWTHMPSA-N 2 0 226.364 1.397 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC(C3(O)CC3)CC2)C1 ZINC001580387612 986811838 /nfs/dbraw/zinc/81/18/38/986811838.db2.gz QIGHKRNISBJJKX-WCQYABFASA-N 2 0 238.375 1.351 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC001580389477 986814500 /nfs/dbraw/zinc/81/45/00/986814500.db2.gz JBHPNPGKMKISPJ-QWQWKMKNSA-N 2 0 208.349 1.892 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2CCCOCC2)C1 ZINC001580389473 986816183 /nfs/dbraw/zinc/81/61/83/986816183.db2.gz IVWYGGCJWFCQPM-TUAOUCFPSA-N 2 0 212.337 1.273 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+][C@H]2CCc3cccnc3CC2)C1 ZINC001580430521 986846805 /nfs/dbraw/zinc/84/68/05/986846805.db2.gz PTAMOPHWWJEIPX-AVGNSLFASA-N 2 0 231.343 1.408 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+][C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001580429968 986848204 /nfs/dbraw/zinc/84/82/04/986848204.db2.gz DLWRLMKLFOMRCC-AVGNSLFASA-N 2 0 236.746 1.887 20 0 BDADRP [NH3+]Cc1cnccc1-c1cccc2c1C[NH2+]CC2 ZINC001245558391 986945372 /nfs/dbraw/zinc/94/53/72/986945372.db2.gz RZSSBKMQYVPCKU-UHFFFAOYSA-N 2 0 239.322 1.853 20 0 BDADRP C[N@@H+]1CC[C@H](n2ccnc2[C@@H]2CCC[NH2+]C2)C1 ZINC001255439337 986963471 /nfs/dbraw/zinc/96/34/71/986963471.db2.gz SQJOOEPSFAMHFI-NEPJUHHUSA-N 2 0 234.347 1.227 20 0 BDADRP C[C@@H]1[C@H]2CC[N@@H+]1C[C@@H]([NH2+][C@H]1CCCN(C)C1)C2 ZINC001255472710 986975827 /nfs/dbraw/zinc/97/58/27/986975827.db2.gz DSXBRZOSMCNKJK-RFGFWPKPSA-N 2 0 237.391 1.153 20 0 BDADRP O=C(Nc1ccc2c[nH+]cn2c1)[C@H]1CCC[NH2+]1 ZINC001580773677 987034578 /nfs/dbraw/zinc/03/45/78/987034578.db2.gz CUSVQQCLPFQWNS-LLVKDONJSA-N 2 0 230.271 1.025 20 0 BDADRP Nc1cc[nH+]c(-c2ccc3c[nH+]cn3c2)c1 ZINC001245895214 987105498 /nfs/dbraw/zinc/10/54/98/987105498.db2.gz RVKMXWLKDPBILF-UHFFFAOYSA-N 2 0 210.240 1.979 20 0 BDADRP CCCCC[C@H](O)C[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1C ZINC001245980245 987248664 /nfs/dbraw/zinc/24/86/64/987248664.db2.gz CCBVWPIBJXLYHZ-IHRRRGAJSA-N 2 0 242.407 1.763 20 0 BDADRP CCC[C@H](O)C[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001245979183 987255711 /nfs/dbraw/zinc/25/57/11/987255711.db2.gz IODLVEDBHJWLQR-OLZOCXBDSA-N 2 0 240.391 1.659 20 0 BDADRP CC[C@@H](O)C[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001245981641 987256355 /nfs/dbraw/zinc/25/63/55/987256355.db2.gz QEHKNQFZKVIBKO-VXGBXAGGSA-N 2 0 226.364 1.269 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+]C[C@@H](O)c1ccccc1 ZINC001245981947 987257581 /nfs/dbraw/zinc/25/75/81/987257581.db2.gz IPDRJSCNILMZDC-NWANDNLSSA-N 2 0 248.370 1.698 20 0 BDADRP C[C@@](O)(C[NH2+]C[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC001245983763 987263006 /nfs/dbraw/zinc/26/30/06/987263006.db2.gz URFGOWUSPVGIFF-UKRRQHHQSA-N 2 0 248.370 1.483 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+]C[C@@H](O)C(C)(C)C ZINC001245984595 987266157 /nfs/dbraw/zinc/26/61/57/987266157.db2.gz QYBRELLAURCCIZ-QJPTWQEYSA-N 2 0 228.380 1.371 20 0 BDADRP CCCC[C@H](O)C[NH2+]C[C@H]1C[NH2+]CC[C@H]1C ZINC001245985572 987267037 /nfs/dbraw/zinc/26/70/37/987267037.db2.gz UQEXBTBFMLGAQV-UPJWGTAASA-N 2 0 228.380 1.373 20 0 BDADRP CCCCOC[C@@H](O)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC001245994586 987269672 /nfs/dbraw/zinc/26/96/72/987269672.db2.gz LQXATBLBJWZHDK-XQQFMLRXSA-N 2 0 244.379 1.024 20 0 BDADRP CCCCC[C@H](O)C[NH2+]C[C@@H]1C[NH2+]C[C@H](C)C1 ZINC001245988711 987273770 /nfs/dbraw/zinc/27/37/70/987273770.db2.gz FEZJZPHGIVMINI-RDBSUJKOSA-N 2 0 242.407 1.763 20 0 BDADRP CC(C)(O)C[NH2+][C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001245994696 987275762 /nfs/dbraw/zinc/27/57/62/987275762.db2.gz BGLYEMAROCQKNO-NEPJUHHUSA-N 2 0 212.337 1.151 20 0 BDADRP CC[C@@H](O)C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246022892 987311777 /nfs/dbraw/zinc/31/17/77/987311777.db2.gz PWUXJIQTMQKBJA-NEPJUHHUSA-N 2 0 214.353 1.208 20 0 BDADRP CCn1cc(C[N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)cn1 ZINC000693691118 987312814 /nfs/dbraw/zinc/31/28/14/987312814.db2.gz BPXZFTPZCADONM-YPMHNXCESA-N 2 0 236.363 1.462 20 0 BDADRP CC(C)[C@@H](O)C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246023984 987318089 /nfs/dbraw/zinc/31/80/89/987318089.db2.gz TWGWLVHZEJEDIN-QWHCGFSZSA-N 2 0 228.380 1.454 20 0 BDADRP C[C@@H]([NH3+])CN(C)Cc1ccc2c[nH]nc2c1 ZINC000694060242 987319801 /nfs/dbraw/zinc/31/98/01/987319801.db2.gz MPGJDITYEHEHNL-SECBINFHSA-N 2 0 218.304 1.342 20 0 BDADRP CC(C)CC[C@@H](O)C[NH+]1CCC([NH3+])CC1 ZINC000695437839 987334806 /nfs/dbraw/zinc/33/48/06/987334806.db2.gz DNPYOTRCUFIANK-GFCCVEGCSA-N 2 0 214.353 1.207 20 0 BDADRP CCCC[C@H](O)C[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001246060954 987349691 /nfs/dbraw/zinc/34/96/91/987349691.db2.gz RZBFMBGLYYDTEQ-MELADBBJSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@H](CC[NH2+]C[C@@H]1CCCOC1)[NH+](C)C ZINC000697890539 987364642 /nfs/dbraw/zinc/36/46/42/987364642.db2.gz OJPGWABSMXGORX-NEPJUHHUSA-N 2 0 214.353 1.343 20 0 BDADRP C[C@H]1CC[C@H](NC2C[C@H](C)[NH2+][C@@H](C)C2)C[NH2+]1 ZINC001246075278 987364788 /nfs/dbraw/zinc/36/47/88/987364788.db2.gz DYXRLPZIVLLIBP-BJDJZHNGSA-N 2 0 225.380 1.246 20 0 BDADRP CCOC(=O)CCC[C@H](C)[NH2+]C1CC[NH2+]CC1 ZINC001246077191 987368126 /nfs/dbraw/zinc/36/81/26/987368126.db2.gz IFVPNTRKJSBQMY-NSHDSACASA-N 2 0 242.363 1.450 20 0 BDADRP C[C@@H]1C[C@@H](NCC2([NH3+])CCCC2)C[C@H](C)[NH2+]1 ZINC001246077349 987368214 /nfs/dbraw/zinc/36/82/14/987368214.db2.gz UWXBGCKMQDZNTE-ZSBIGDGJSA-N 2 0 225.380 1.377 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC1CC[NH2+]CC1)C2 ZINC001246077585 987368627 /nfs/dbraw/zinc/36/86/27/987368627.db2.gz JGAUGWKAAWEJHW-BTTYYORXSA-N 2 0 237.391 1.343 20 0 BDADRP CC[C@@H](C)OCC[C@@H](C)[NH2+]C1CC[NH2+]CC1 ZINC001246080283 987372773 /nfs/dbraw/zinc/37/27/73/987372773.db2.gz QMVSTDDDQYAZQG-VXGBXAGGSA-N 2 0 228.380 1.922 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N[C@H]1CC[NH2+]C[C@@H]1F ZINC001246080094 987372949 /nfs/dbraw/zinc/37/29/49/987372949.db2.gz DRJPCFJTWGECBJ-AVGNSLFASA-N 2 0 245.386 1.396 20 0 BDADRP CC[C@@H](CC(C)C)[NH2+][C@@H](C)CN1CC[NH2+]CC1 ZINC001246082700 987375250 /nfs/dbraw/zinc/37/52/50/987375250.db2.gz YAHVGRMAXAJUNA-KBPBESRZSA-N 2 0 241.423 1.694 20 0 BDADRP CCCCC[C@@H](C)[NH2+][C@@H](C)CN1CC[NH2+]CC1 ZINC001246081209 987376822 /nfs/dbraw/zinc/37/68/22/987376822.db2.gz RLXSLKPKZAHVJV-KGLIPLIRSA-N 2 0 241.423 1.839 20 0 BDADRP C1C[C@@]2(C[NH2+]1)CCC[C@@H]([NH2+]C1CC[NH2+]CC1)C2 ZINC001246082077 987377374 /nfs/dbraw/zinc/37/73/74/987377374.db2.gz VWUPPSXLDGSTKL-KGLIPLIRSA-N 3 0 237.391 1.250 20 0 BDADRP COC(=O)[C@@H]1CCC[C@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC001246081845 987378418 /nfs/dbraw/zinc/37/84/18/987378418.db2.gz UHGRROWWAMAVNE-PWSUYJOCSA-N 2 0 240.347 1.060 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246082926 987380255 /nfs/dbraw/zinc/38/02/55/987380255.db2.gz ZIBITYZUYQNAGU-IHRRRGAJSA-N 2 0 241.423 1.837 20 0 BDADRP Cc1cncc(CN[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC001246084346 987381063 /nfs/dbraw/zinc/38/10/63/987381063.db2.gz YOHRQOWEGCPIGN-WCQYABFASA-N 2 0 219.332 1.620 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+][C@H]2CCCC[NH2+]C2)CCO1 ZINC001246090953 987397358 /nfs/dbraw/zinc/39/73/58/987397358.db2.gz NRBVWISANANETJ-RWMBFGLXSA-N 2 0 226.364 1.676 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246095379 987405517 /nfs/dbraw/zinc/40/55/17/987405517.db2.gz BLPFLHFPLATWEM-CSHRUCKSSA-N 2 0 237.391 1.105 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](CN[C@@H]2CCC[N@H+](C)CC2)C1 ZINC001246097180 987407953 /nfs/dbraw/zinc/40/79/53/987407953.db2.gz GNWZFCUGTDUJNY-MELADBBJSA-N 2 0 239.407 1.306 20 0 BDADRP C[C@@H]1C[C@@H](N[C@@H]2CC[NH2+]CC[C@H]2C)CC[NH2+]1 ZINC001246096294 987408179 /nfs/dbraw/zinc/40/81/79/987408179.db2.gz UAWRAZARPZEOHE-FVCCEPFGSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](C[NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC001246099096 987414409 /nfs/dbraw/zinc/41/44/09/987414409.db2.gz LMIWZIGWZSCNRM-YNEHKIRRSA-N 2 0 240.391 1.779 20 0 BDADRP CCOCC[C@H](C)[NH2+]C[C@H]1CC[C@@H](C)C[NH2+]1 ZINC001246104053 987429776 /nfs/dbraw/zinc/42/97/76/987429776.db2.gz INPNRVJABCJRIW-FRRDWIJNSA-N 2 0 228.380 1.779 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2COC(C)(C)C2)C[NH2+]1 ZINC001246104029 987430605 /nfs/dbraw/zinc/43/06/05/987430605.db2.gz ZOCLKUIIJNOBOH-WOPDTQHZSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@H]1[NH2+]CCC[C@H]1CNC1CC[NH+](C)CC1 ZINC001246106117 987433154 /nfs/dbraw/zinc/43/31/54/987433154.db2.gz CTOAIVRYTHBFHB-NEPJUHHUSA-N 2 0 225.380 1.058 20 0 BDADRP CC[NH+]1CCC(NC[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC001246106780 987436278 /nfs/dbraw/zinc/43/62/78/987436278.db2.gz FTFLTENTOGJJOR-CHWSQXEVSA-N 2 0 239.407 1.448 20 0 BDADRP C[NH2+]CC[C@H](C)[NH2+]C[C@@H]1CC[NH2+]CC[C@H]1C ZINC001246106985 987436632 /nfs/dbraw/zinc/43/66/32/987436632.db2.gz GMLMXZJAITWKCZ-AGIUHOORSA-N 3 0 227.396 1.210 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[NH2+]C[C@@H](C)C2)C[C@H](C)O1 ZINC001246106520 987439220 /nfs/dbraw/zinc/43/92/20/987439220.db2.gz XZTZXYJNKPLYHG-HPCHECBXSA-N 2 0 240.391 1.778 20 0 BDADRP C[C@@H]1CC([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2C)C[C@@H](C)O1 ZINC001246109199 987440939 /nfs/dbraw/zinc/44/09/39/987440939.db2.gz FWCVVOBSPXNJJQ-LOWDOPEQSA-N 2 0 240.391 1.778 20 0 BDADRP C[NH2+]C1CCC([NH2+]C[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC001246111393 987446242 /nfs/dbraw/zinc/44/62/42/987446242.db2.gz NXGKUMJTBYLCOU-IWMBGFJWSA-N 3 0 239.407 1.495 20 0 BDADRP C[NH2+]CCCN[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246112079 987446473 /nfs/dbraw/zinc/44/64/73/987446473.db2.gz KNVDLWCELVQCFN-NEPJUHHUSA-N 3 0 227.396 1.352 20 0 BDADRP CCCC[C@@H]1C[C@@H](N[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC001246115819 987453454 /nfs/dbraw/zinc/45/34/54/987453454.db2.gz JJAXGCRBWJQIOM-FRRDWIJNSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@@H]1CC[C@H](CN[C@H]2CC[C@@H](C)[NH2+]C2)[NH2+]C1 ZINC001246116029 987455137 /nfs/dbraw/zinc/45/51/37/987455137.db2.gz UPOHISRRRCOPMA-LPWJVIDDSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@H]1CC[NH2+]C[C@@H]1C[NH2+]C1CCSCC1 ZINC001246117291 987457975 /nfs/dbraw/zinc/45/79/75/987457975.db2.gz YZGIDMKJPYHTLZ-WDEREUQCSA-N 2 0 228.405 1.717 20 0 BDADRP CCOCC[C@H](C)[NH2+]C[C@H]1C[NH2+]CC[C@H]1C ZINC001246117758 987459464 /nfs/dbraw/zinc/45/94/64/987459464.db2.gz CUCCYKXNRTVAAC-FRRDWIJNSA-N 2 0 228.380 1.637 20 0 BDADRP CC[C@@H]1CC(NC2CC([NH3+])C2)C[C@@H](CC)[NH2+]1 ZINC001246117246 987459957 /nfs/dbraw/zinc/45/99/57/987459957.db2.gz YLAXBZSCVQTTQP-BFUDSRACSA-N 2 0 225.380 1.375 20 0 BDADRP C[C@H]1CC[NH2+]C[C@H]1C[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001246117443 987460526 /nfs/dbraw/zinc/46/05/26/987460526.db2.gz BATDVKBHOAFQRR-WSOGJNRSSA-N 2 0 236.359 1.308 20 0 BDADRP CCCC[C@H](CCC)[NH2+]CCN1CC[NH2+]CC1 ZINC001246120011 987463877 /nfs/dbraw/zinc/46/38/77/987463877.db2.gz JCIBAHMISRKQOT-AWEZNQCLSA-N 2 0 241.423 1.840 20 0 BDADRP C[C@H]1C[NH2+]C[C@H]1N[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246118089 987465219 /nfs/dbraw/zinc/46/52/19/987465219.db2.gz VJOOIJKFINVKAI-WUHRBBMRSA-N 2 0 239.407 1.351 20 0 BDADRP COc1cccc(C[C@H](C)[NH2+][C@H]2CCCNC2)c1 ZINC001246120964 987467298 /nfs/dbraw/zinc/46/72/98/987467298.db2.gz SNVDXPNFGCHHNR-JSGCOSHPSA-N 2 0 248.370 1.968 20 0 BDADRP CC[NH+]1CCC(NC[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC001246121846 987467831 /nfs/dbraw/zinc/46/78/31/987467831.db2.gz UKEJWJYXVMZHGQ-OLZOCXBDSA-N 2 0 239.407 1.306 20 0 BDADRP CC1(N[C@H]2CC[NH2+]C3(CCCCC3)C2)C[NH2+]C1 ZINC001246124448 987473200 /nfs/dbraw/zinc/47/32/00/987473200.db2.gz XCOOVVNJSGFGML-LBPRGKRZSA-N 2 0 237.391 1.393 20 0 BDADRP CC(C)(C)[C@H]1C[C@H](N[C@@H]2C[NH2+]C[C@H]2F)CC[NH2+]1 ZINC001246128061 987479679 /nfs/dbraw/zinc/47/96/79/987479679.db2.gz NDVOHPMQRQUJOF-DDHJBXDOSA-N 2 0 243.370 1.053 20 0 BDADRP C1C[C@H]2CC(N[C@H]3CCC[C@@H]4C[NH2+]C[C@@H]43)C[C@@H]1[NH2+]2 ZINC001246130428 987482384 /nfs/dbraw/zinc/48/23/84/987482384.db2.gz HDHFZOHCPZWTMV-VKFDKNKNSA-N 2 0 249.402 1.247 20 0 BDADRP C[C@H]1C[C@H]([NH2+][C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)C[C@@H](C)C1 ZINC001246135776 987493141 /nfs/dbraw/zinc/49/31/41/987493141.db2.gz CLEYYNCKUVHZMG-GSZZWUTPSA-N 2 0 238.375 1.388 20 0 BDADRP FC1(F)CCC([NH2+][C@@H]2C[NH2+]CC23CC3)CC1 ZINC001246135288 987495654 /nfs/dbraw/zinc/49/56/54/987495654.db2.gz TWKWPJQTADQVEL-SNVBAGLBSA-N 2 0 230.302 1.906 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCC(=O)OC(C)(C)C)CC[NH2+]1 ZINC001246153206 987496896 /nfs/dbraw/zinc/49/68/96/987496896.db2.gz MJAZYYSGNSEKAJ-QWRGUYRKSA-N 2 0 242.363 1.448 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2C[NH2+]Cc3ccsc32)C[NH2+]1 ZINC001246142177 987498409 /nfs/dbraw/zinc/49/84/09/987498409.db2.gz MUPAWDVKJFFEJD-MIMYLULJSA-N 2 0 237.372 1.232 20 0 BDADRP C1CC2(CC[NH2+]CC2)[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246139034 987500855 /nfs/dbraw/zinc/50/08/55/987500855.db2.gz QIHQGQPMHYSCRX-QNMSZWNNSA-N 3 0 249.402 1.391 20 0 BDADRP CCCC[N@H+](CC)CCN[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246161340 987520958 /nfs/dbraw/zinc/52/09/58/987520958.db2.gz JRBORJVROXJCBX-KBPBESRZSA-N 2 0 241.423 1.839 20 0 BDADRP [NH3+]CCc1ccc(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246163180 987526537 /nfs/dbraw/zinc/52/65/37/987526537.db2.gz XJBKLBQJKRKZBW-YIONKMFJSA-N 2 0 245.370 1.883 20 0 BDADRP c1ccc(C[NH2+]CCN[C@H]2CCC[NH2+]C2)cc1 ZINC001246166352 987527056 /nfs/dbraw/zinc/52/70/56/987527056.db2.gz QFBQXLCDMFRNLF-AWEZNQCLSA-N 2 0 233.359 1.118 20 0 BDADRP [NH3+]C12CCC([NH2+][C@H]3CCCNC3)(CC1)CC2 ZINC001246163613 987527729 /nfs/dbraw/zinc/52/77/29/987527729.db2.gz NQKJFFQWSVRYRI-HIFPTAJRSA-N 2 0 223.364 1.132 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)CN1 ZINC001246177203 987550107 /nfs/dbraw/zinc/55/01/07/987550107.db2.gz RTKCWCWDZAKHLI-MCIONIFRSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[NH2+]1 ZINC001246184460 987557803 /nfs/dbraw/zinc/55/78/03/987557803.db2.gz LSBJOBJPPKAVQR-XHJNMGKDSA-N 2 0 237.391 1.342 20 0 BDADRP C[C@@H]1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[NH2+]1 ZINC001246184458 987558040 /nfs/dbraw/zinc/55/80/40/987558040.db2.gz LSBJOBJPPKAVQR-XGFWRYKXSA-N 2 0 237.391 1.342 20 0 BDADRP C[C@H]1C[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC[NH2+]1 ZINC001246185124 987559992 /nfs/dbraw/zinc/55/99/92/987559992.db2.gz RUJBKDBDXUGXMK-VJTDZRGJSA-N 2 0 237.391 1.342 20 0 BDADRP CCCC[N@H+](C)CCCN[C@H]1CCC[NH2+]C1 ZINC001246183616 987561376 /nfs/dbraw/zinc/56/13/76/987561376.db2.gz GMUFRFCBUXGFDZ-ZDUSSCGKSA-N 2 0 227.396 1.450 20 0 BDADRP CC[NH+](CC)CC[C@H](C)NC[C@H]1CCC[NH2+]1 ZINC001246188101 987572389 /nfs/dbraw/zinc/57/23/89/987572389.db2.gz USTAIYREYFAFCC-QWHCGFSZSA-N 2 0 227.396 1.448 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246188193 987574270 /nfs/dbraw/zinc/57/42/70/987574270.db2.gz IBKCHVWZMNCZRA-BJHJDKERSA-N 3 0 237.391 1.378 20 0 BDADRP CC[C@H](C[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1)OC ZINC001473844083 987577686 /nfs/dbraw/zinc/57/76/86/987577686.db2.gz TZTNIYBNPTYWQI-UPJWGTAASA-N 2 0 226.364 1.295 20 0 BDADRP Cc1ccc(C[NH2+]C2CC[NH2+]CC2)n1C ZINC001246197753 987591339 /nfs/dbraw/zinc/59/13/39/987591339.db2.gz LPNPYZFVJLZMEH-UHFFFAOYSA-N 2 0 207.321 1.175 20 0 BDADRP CCOCC[C@H](C)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC001246199646 987593677 /nfs/dbraw/zinc/59/36/77/987593677.db2.gz YEJZHMVPZCQQBP-RYUDHWBXSA-N 2 0 214.353 1.391 20 0 BDADRP CC(C)[C@@H]1C[C@H](NC[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246200944 987595130 /nfs/dbraw/zinc/59/51/30/987595130.db2.gz STHIZSVNDFQJSM-MCIONIFRSA-N 2 0 239.407 1.352 20 0 BDADRP CC(C)[C@@H]1C[C@H](NC[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246200945 987596564 /nfs/dbraw/zinc/59/65/64/987596564.db2.gz STHIZSVNDFQJSM-MJBXVCDLSA-N 2 0 239.407 1.352 20 0 BDADRP CCOC(=O)CC[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC001246204595 987598450 /nfs/dbraw/zinc/59/84/50/987598450.db2.gz HUGDJRZSIQVFJH-QJPTWQEYSA-N 2 0 242.363 1.578 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC001246204330 987600780 /nfs/dbraw/zinc/60/07/80/987600780.db2.gz FHIUCTUIMDAWNZ-XGFWRYKXSA-N 2 0 237.391 1.519 20 0 BDADRP CC[C@H]1CC([NH2+]CCCC[NH2+]C)C[C@H](CC)[NH2+]1 ZINC001246204176 987600833 /nfs/dbraw/zinc/60/08/33/987600833.db2.gz PGJUMWLLAVHYRQ-STQMWFEESA-N 3 0 241.423 1.885 20 0 BDADRP CO[C@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC001246207169 987603386 /nfs/dbraw/zinc/60/33/86/987603386.db2.gz XBFLSVBUTRCPKP-NDBYEHHHSA-N 2 0 226.364 1.804 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CN1 ZINC001246213102 987609601 /nfs/dbraw/zinc/60/96/01/987609601.db2.gz YNEXSQLLVGUJCN-LPWJVIDDSA-N 2 0 225.380 1.234 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)C1 ZINC001246216002 987613944 /nfs/dbraw/zinc/61/39/44/987613944.db2.gz CCJWWBDROXJGQS-XQQFMLRXSA-N 2 0 226.364 1.533 20 0 BDADRP CC[C@H]1C[C@@H](NC[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246216424 987614424 /nfs/dbraw/zinc/61/44/24/987614424.db2.gz JDNRTJROLKEMOC-AVGNSLFASA-N 2 0 225.380 1.106 20 0 BDADRP C[C@@H](N[C@@H]1CC[NH2+][C@H](C)C1)c1cncnc1 ZINC001246228506 987626343 /nfs/dbraw/zinc/62/63/43/987626343.db2.gz ILWGIRLOCAQODY-CKYFFXLPSA-N 2 0 220.320 1.268 20 0 BDADRP O[C@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246230698 987629660 /nfs/dbraw/zinc/62/96/60/987629660.db2.gz OCQWOODZXGEXEA-GYSPRSAJSA-N 2 0 224.348 1.163 20 0 BDADRP CC[C@@H]1CC(N[C@@H]2CC[C@H]([NH3+])C2)C[C@@H](CC)[NH2+]1 ZINC001246233799 987631736 /nfs/dbraw/zinc/63/17/36/987631736.db2.gz AWTSERPHDZGDCV-UMSGYPCISA-N 2 0 239.407 1.765 20 0 BDADRP CC[C@H]1CC(N[C@@H]2CC[C@H]([NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246233800 987632186 /nfs/dbraw/zinc/63/21/86/987632186.db2.gz AWTSERPHDZGDCV-ZDEQEGDKSA-N 2 0 239.407 1.765 20 0 BDADRP C[C@H]1C[C@H](n2ncc3c2cccc3C[NH3+])CC[NH2+]1 ZINC001246238698 987637177 /nfs/dbraw/zinc/63/71/77/987637177.db2.gz GDQNJLNJQDEMPM-CMPLNLGQSA-N 2 0 244.342 1.808 20 0 BDADRP [NH3+]Cc1cccc2c1cnn2[C@H]1CCC[NH2+]C1 ZINC001246239190 987638133 /nfs/dbraw/zinc/63/81/33/987638133.db2.gz HNNQQKTWVROPHM-NSHDSACASA-N 2 0 230.315 1.420 20 0 BDADRP C[C@@H]1CC[C@H](n2cc3c(n2)CC[C@@H]([NH3+])C3)C[NH2+]1 ZINC001246239522 987638949 /nfs/dbraw/zinc/63/89/49/987638949.db2.gz RSZOZHPERUVJRH-JLLWLGSASA-N 2 0 234.347 1.012 20 0 BDADRP C[C@@H]1C[C@@H](NCC[C@H]2CCCC[NH2+]2)C[C@H](C)[NH2+]1 ZINC001246241979 987643000 /nfs/dbraw/zinc/64/30/00/987643000.db2.gz DHRPWRDOVPYMNW-XJFOESAGSA-N 2 0 239.407 1.637 20 0 BDADRP C[C@@H]1CC[C@H](NCC[C@H]2CCCC[NH2+]2)C[NH2+]1 ZINC001246242699 987645895 /nfs/dbraw/zinc/64/58/95/987645895.db2.gz GUIDFKJUNIKJTG-UPJWGTAASA-N 2 0 225.380 1.249 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)NC1)C1CC[NH2+]CC1 ZINC001246251991 987651250 /nfs/dbraw/zinc/65/12/50/987651250.db2.gz PWIYDUBDPYDVJC-NQBHXWOUSA-N 2 0 225.380 1.105 20 0 BDADRP [NH3+]CCN(c1ccccn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246256183 987653040 /nfs/dbraw/zinc/65/30/40/987653040.db2.gz ODXDSPCGAOMBLJ-FUNVUKJBSA-N 2 0 246.358 1.130 20 0 BDADRP Cc1ccnc(CC[NH2+]C2CC[NH2+]CC2)c1 ZINC001246255581 987653197 /nfs/dbraw/zinc/65/31/97/987653197.db2.gz LVLRDRWDZZTYNO-UHFFFAOYSA-N 2 0 219.332 1.274 20 0 BDADRP Cc1cnccc1C[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC001474167839 987654111 /nfs/dbraw/zinc/65/41/11/987654111.db2.gz QTGPUCIGUGGGNX-GFCCVEGCSA-N 2 0 242.326 1.760 20 0 BDADRP OC12CCC([NH2+]C3CC[NH2+]CC3)(CC1)CC2 ZINC001246268749 987662119 /nfs/dbraw/zinc/66/21/19/987662119.db2.gz WZUHYOJXMAXIFW-UHFFFAOYSA-N 2 0 224.348 1.166 20 0 BDADRP CCC[NH2+]CCN[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246272036 987666341 /nfs/dbraw/zinc/66/63/41/987666341.db2.gz STEJYCYZVMLFRE-NSHDSACASA-N 2 0 213.369 1.106 20 0 BDADRP C[C@H]1CC[C@H]([NH2+]C[Si](C)(C)C)CN1 ZINC001246270942 987666746 /nfs/dbraw/zinc/66/67/46/987666746.db2.gz XBLMFHQQIBAREY-UWVGGRQHSA-N 2 0 200.402 1.594 20 0 BDADRP CC[NH2+]CCN[C@@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246274310 987671150 /nfs/dbraw/zinc/67/11/50/987671150.db2.gz VVRKESGCBSRJTP-CLLJXQQHSA-N 2 0 227.396 1.495 20 0 BDADRP c1ccc(C2(C[NH2+]C3CC[NH2+]CC3)CC2)nc1 ZINC001246278744 987672035 /nfs/dbraw/zinc/67/20/35/987672035.db2.gz NAVZLYBMXVXOML-UHFFFAOYSA-N 2 0 231.343 1.455 20 0 BDADRP c1ccc2c(c1)C[NH2+][C@H](CN[C@@H]1CCC[NH2+]C1)C2 ZINC001246277395 987672512 /nfs/dbraw/zinc/67/25/12/987672512.db2.gz IXJKOOAXLKVUJN-CABCVRRESA-N 2 0 245.370 1.043 20 0 BDADRP Cc1cccc(C(=[NH2+])N[C@@H]2CCC[NH2+]C2)c1 ZINC001246282264 987675360 /nfs/dbraw/zinc/67/53/60/987675360.db2.gz CAZOLMHXYPHZJI-GFCCVEGCSA-N 2 0 217.316 1.662 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CCCC3)[C@H]2C1 ZINC001474301169 987680985 /nfs/dbraw/zinc/68/09/85/987680985.db2.gz GKZRGZZBTOPVPV-WCFLWFBJSA-N 2 0 208.349 1.859 20 0 BDADRP CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]CC[C@H](C)[NH3+])C1 ZINC001246300002 987693910 /nfs/dbraw/zinc/69/39/10/987693910.db2.gz LGNBLVLBNTZTKA-QJPTWQEYSA-N 2 0 242.363 1.435 20 0 BDADRP C[C@@H](CC[NH3+])N[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246300374 987696920 /nfs/dbraw/zinc/69/69/20/987696920.db2.gz NGACYALOXLAGGP-STQMWFEESA-N 2 0 239.407 1.768 20 0 BDADRP CCCC[C@@H]1C[C@H](NCC[C@H](C)[NH3+])CC[NH2+]1 ZINC001246303351 987701228 /nfs/dbraw/zinc/70/12/28/987701228.db2.gz HNPSPSMMJSMMAP-YNEHKIRRSA-N 2 0 227.396 1.624 20 0 BDADRP C[C@@H]1CC[C@@H](N[C@@H]2CNc3ccccc3C2)C[NH2+]1 ZINC001246303146 987701391 /nfs/dbraw/zinc/70/13/91/987701391.db2.gz HHDKUOIJIOVCCS-BNOWGMLFSA-N 2 0 245.370 1.753 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CCCCCCC[NH3+])CN1 ZINC001246303776 987702163 /nfs/dbraw/zinc/70/21/63/987702163.db2.gz AOQGWRNFWLYSFI-CHWSQXEVSA-N 2 0 227.396 1.626 20 0 BDADRP C[C@H]([NH3+])CCNC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001246304765 987703902 /nfs/dbraw/zinc/70/39/02/987703902.db2.gz MJLZXFDUIHZCDJ-NSHDSACASA-N 2 0 241.423 1.965 20 0 BDADRP [NH3+][C@H](CN[C@H]1CCCC[NH2+]C1)Cc1ccccc1 ZINC001246306872 987705425 /nfs/dbraw/zinc/70/54/25/987705425.db2.gz LSMRHWUUORVHTF-GJZGRUSLSA-N 2 0 247.386 1.288 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCCCCCC[NH3+])CC[NH2+]1 ZINC001246305713 987705993 /nfs/dbraw/zinc/70/59/93/987705993.db2.gz IXLNGSUNLCMCLP-CHWSQXEVSA-N 3 0 227.396 1.626 20 0 BDADRP C[C@H]([NH3+])CCN[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001246307326 987708361 /nfs/dbraw/zinc/70/83/61/987708361.db2.gz WPVIQCAJRFHVSQ-QWHCGFSZSA-N 2 0 239.407 1.720 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246311658 987713552 /nfs/dbraw/zinc/71/35/52/987713552.db2.gz QQNRCQQTEOOBQF-NWDGAFQWSA-N 2 0 227.396 1.480 20 0 BDADRP CC[C@H]([NH3+])CN[C@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246314080 987714606 /nfs/dbraw/zinc/71/46/06/987714606.db2.gz OJRCGEBXDJJDDX-SDDRHHMPSA-N 2 0 213.369 1.090 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246312563 987717313 /nfs/dbraw/zinc/71/73/13/987717313.db2.gz SQMYNBHJRWLREK-IJLUTSLNSA-N 2 0 213.369 1.090 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+]C1CCC(CC(=O)OC)CC1 ZINC001246315687 987718608 /nfs/dbraw/zinc/71/86/08/987718608.db2.gz VFJJWQOWQWVWLH-MOENNCHZSA-N 2 0 242.363 1.435 20 0 BDADRP C[C@@H]1CC[C@H](n2cnc3cccc(C[NH3+])c32)C[NH2+]1 ZINC001246320180 987723331 /nfs/dbraw/zinc/72/33/31/987723331.db2.gz HPORNTKXPMWFPS-PWSUYJOCSA-N 2 0 244.342 1.808 20 0 BDADRP CC[C@H]([NH3+])CN[C@@H](C)CC[NH+](CC)CC ZINC001246317545 987724021 /nfs/dbraw/zinc/72/40/21/987724021.db2.gz MWYLKXUWJBGOKD-RYUDHWBXSA-N 2 0 215.385 1.434 20 0 BDADRP CC[C@@H](CN)[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246320627 987729254 /nfs/dbraw/zinc/72/92/54/987729254.db2.gz ZOINDYJWSNRPRV-LBPRGKRZSA-N 2 0 239.407 1.626 20 0 BDADRP C[C@H]1C[C@H](n2cnc3cccc(C[NH3+])c32)CC[NH2+]1 ZINC001246324665 987730470 /nfs/dbraw/zinc/73/04/70/987730470.db2.gz YZXTXZJCAMIESS-CMPLNLGQSA-N 2 0 244.342 1.808 20 0 BDADRP C[C@H]1CC[C@@H](n2cc3ccc(C[NH3+])cc3n2)C[NH2+]1 ZINC001246326913 987731018 /nfs/dbraw/zinc/73/10/18/987731018.db2.gz XQWIKSRKMZOUMK-GXFFZTMASA-N 2 0 244.342 1.808 20 0 BDADRP C[C@H]1CC[C@@H](Nc2cccnc2C[NH3+])C[NH2+]1 ZINC001246325752 987732904 /nfs/dbraw/zinc/73/29/04/987732904.db2.gz JILIYZBNOQZPNC-VHSXEESVSA-N 2 0 220.320 1.093 20 0 BDADRP CC[C@@H]1CC(NC[C@H](C)C[NH3+])C[C@@H](CC)[NH2+]1 ZINC001246328770 987735408 /nfs/dbraw/zinc/73/54/08/987735408.db2.gz SGZUTAOYKUWEDD-IJLUTSLNSA-N 2 0 227.396 1.480 20 0 BDADRP CC[C@@H]1C[C@@H](NC[C@H](C)C[NH3+])C[C@H](CC)[NH2+]1 ZINC001246328769 987735637 /nfs/dbraw/zinc/73/56/37/987735637.db2.gz SGZUTAOYKUWEDD-FVCCEPFGSA-N 2 0 227.396 1.480 20 0 BDADRP CC[C@@H]1C[C@@H](NC[C@@H]([NH3+])C(C)C)C[C@H](CC)[NH2+]1 ZINC001246332537 987739796 /nfs/dbraw/zinc/73/97/96/987739796.db2.gz NBFDPXSOOFQBIB-XJFOESAGSA-N 2 0 241.423 1.869 20 0 BDADRP CC1(C)CC[NH2+]C[C@@H]1N[C@H]1CCCC[NH2+]C1 ZINC001246333575 987742986 /nfs/dbraw/zinc/74/29/86/987742986.db2.gz VUKIFEMVKVQKQZ-RYUDHWBXSA-N 2 0 225.380 1.106 20 0 BDADRP C[C@@H]1CC[C@H](N[C@@]23CC[C@@]([NH3+])(C2)CCC3)C[NH2+]1 ZINC001246333314 987743543 /nfs/dbraw/zinc/74/35/43/987743543.db2.gz LLOSKQKYGLMYOK-RQJABVFESA-N 2 0 237.391 1.521 20 0 BDADRP COC(CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)OC ZINC001246340578 987747586 /nfs/dbraw/zinc/74/75/86/987747586.db2.gz IOVLOTAPPBFHPR-FOSCPWQOSA-N 2 0 242.363 1.258 20 0 BDADRP CCCC[C@H]1C[C@@H](NC2(C[NH3+])CCC2)CC[NH2+]1 ZINC001246349667 987758546 /nfs/dbraw/zinc/75/85/46/987758546.db2.gz BXMWVYGTPXNFOO-STQMWFEESA-N 2 0 239.407 1.768 20 0 BDADRP CCCCN(C)C[C@@H](C)[NH2+][C@H]1CCCN(C)C1 ZINC001474556492 987760112 /nfs/dbraw/zinc/76/01/12/987760112.db2.gz BIEPSNLTEMWSIB-KGLIPLIRSA-N 2 0 241.423 1.791 20 0 BDADRP CCCC[C@@H]1C[C@H](NC2(C[NH3+])CCC2)CC[NH2+]1 ZINC001246349662 987761204 /nfs/dbraw/zinc/76/12/04/987761204.db2.gz BXMWVYGTPXNFOO-CHWSQXEVSA-N 2 0 239.407 1.768 20 0 BDADRP COC(=O)CCCC[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246357421 987763680 /nfs/dbraw/zinc/76/36/80/987763680.db2.gz UJFDHWXZJUWMEZ-WDEREUQCSA-N 2 0 228.336 1.060 20 0 BDADRP CC(C)C[N@@H+]1CC[C@H](N[C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC001246362153 987766569 /nfs/dbraw/zinc/76/65/69/987766569.db2.gz NLZFYKMUXHLQQK-RDBSUJKOSA-N 2 0 239.407 1.447 20 0 BDADRP [NH3+]CCc1cn(C2CC[NH2+]CC2)c2cc[nH+]cc12 ZINC001246358304 987769439 /nfs/dbraw/zinc/76/94/39/987769439.db2.gz CVAVEDJQJNEPSZ-UHFFFAOYSA-N 3 0 244.342 1.462 20 0 BDADRP C[NH+](C)[C@H]1CC[C@H]([NH2+][C@@H]2CCCNC2)CC1 ZINC001246365195 987771693 /nfs/dbraw/zinc/77/16/93/987771693.db2.gz DKMGUXNYRYURIF-JHJVBQTASA-N 2 0 225.380 1.201 20 0 BDADRP C[NH+]1CCC(CCC[NH2+][C@H]2CCCNC2)CC1 ZINC001246367103 987772391 /nfs/dbraw/zinc/77/23/91/987772391.db2.gz YQOCHYATDMCBBA-AWEZNQCLSA-N 2 0 239.407 1.450 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]C2CCC3(C[NH2+]C3)CC2)CN1 ZINC001246380873 987775305 /nfs/dbraw/zinc/77/53/05/987775305.db2.gz YWUSHIITBRADNE-DGCLKSJQSA-N 2 0 237.391 1.249 20 0 BDADRP CC(C)(O)[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccccc1 ZINC001246374303 987775667 /nfs/dbraw/zinc/77/56/67/987775667.db2.gz UBLKEAQHMPSFKT-AWEZNQCLSA-N 2 0 248.370 1.840 20 0 BDADRP C([NH2+][C@H]1CC[NH2+]C1)C1(CC2CC2)CC[NH2+]CC1 ZINC001246383097 987780994 /nfs/dbraw/zinc/78/09/94/987780994.db2.gz CWYLBVXSAOCOIO-ZDUSSCGKSA-N 3 0 237.391 1.108 20 0 BDADRP CC(C)(C[NH2+]C1CC[NH2+]CC1)Cc1ccccn1 ZINC001246386069 987781137 /nfs/dbraw/zinc/78/11/37/987781137.db2.gz DFTSRJGBFBYLEH-UHFFFAOYSA-N 2 0 247.386 1.992 20 0 BDADRP CCCC[C@H](CCC)[NH2+]CCNCC[NH3+] ZINC001246402758 987782783 /nfs/dbraw/zinc/78/27/83/987782783.db2.gz BJRABBWWHOSMES-LBPRGKRZSA-N 2 0 215.385 1.483 20 0 BDADRP CC(C)(Cc1ccncc1)[NH2+][C@@H]1CCCNC1 ZINC001246407241 987786220 /nfs/dbraw/zinc/78/62/20/987786220.db2.gz PQTBUEZHZICJBO-CYBMUJFWSA-N 2 0 233.359 1.744 20 0 BDADRP Cc1ccc(CC[C@H](C)[NH2+]CCNCC[NH3+])cc1 ZINC001246407119 987786871 /nfs/dbraw/zinc/78/68/71/987786871.db2.gz WJJLJERBIVDPOA-AWEZNQCLSA-N 2 0 249.402 1.454 20 0 BDADRP CC[C@@H]1CC[C@@H]([NH2+]CCCC[C@H]([NH3+])C(N)=O)C1 ZINC001246407750 987787000 /nfs/dbraw/zinc/78/70/00/987787000.db2.gz ZJMYFCAULFHAJS-UTUOFQBUSA-N 2 0 241.379 1.138 20 0 BDADRP CCCCC[C@H](CCC)[NH2+]CCNCC[NH3+] ZINC001246403216 987788683 /nfs/dbraw/zinc/78/86/83/987788683.db2.gz CVWWFQIAEVERCJ-ZDUSSCGKSA-N 2 0 229.412 1.873 20 0 BDADRP CCC1(N[C@H]2CC[NH2+][C@@H](C)C2)CC[NH2+]CC1 ZINC001246423133 987795353 /nfs/dbraw/zinc/79/53/53/987795353.db2.gz IIWAUISTZFFWLH-RYUDHWBXSA-N 2 0 225.380 1.249 20 0 BDADRP CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC12C[NH2+]C2 ZINC001246442805 987795956 /nfs/dbraw/zinc/79/59/56/987795956.db2.gz DWJUTXREBLMLJE-ZIAGYGMSSA-N 2 0 230.355 1.959 20 0 BDADRP Clc1cccc2c1C[C@@H]([NH2+][C@H]1CC13C[NH2+]C3)C2 ZINC001246442576 987797422 /nfs/dbraw/zinc/79/74/22/987797422.db2.gz DEPINBXTPXQFQA-GWCFXTLKSA-N 2 0 248.757 1.759 20 0 BDADRP C1[C@@H](N[C@@H]2CC[NH2+]C3(CCCCC3)C2)C12C[NH2+]C2 ZINC001246441838 987798186 /nfs/dbraw/zinc/79/81/86/987798186.db2.gz AFOBXXUCJREQLO-CHWSQXEVSA-N 2 0 249.402 1.393 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N[C@@H]1CC12C[NH2+]C2 ZINC001246442530 987798582 /nfs/dbraw/zinc/79/85/82/987798582.db2.gz CYIKVORTDVDBPH-VXGBXAGGSA-N 2 0 225.380 1.058 20 0 BDADRP CC(C)(C)[C@@H]1C[C@H](N[C@@H]2CC23C[NH2+]C3)CC[NH2+]1 ZINC001246443160 987802744 /nfs/dbraw/zinc/80/27/44/987802744.db2.gz GFSOQACXSQKQFE-GRYCIOLGSA-N 2 0 237.391 1.105 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CC12C[NH2+]C2 ZINC001246443587 987803571 /nfs/dbraw/zinc/80/35/71/987803571.db2.gz HLVNLCLIMRHSHD-CHWSQXEVSA-N 3 0 239.407 1.448 20 0 BDADRP COc1cccc(C[C@@H](C)[NH2+][C@@H]2CC23C[NH2+]C3)c1 ZINC001246447761 987807525 /nfs/dbraw/zinc/80/75/25/987807525.db2.gz WPGSPWDZGAMVAB-BXUZGUMPSA-N 2 0 246.354 1.578 20 0 BDADRP CC(C)(CC1CCOCC1)[NH2+]C1CC[NH2+]CC1 ZINC001246453193 987808585 /nfs/dbraw/zinc/80/85/85/987808585.db2.gz ADPJDCRCGLUESI-UHFFFAOYSA-N 2 0 240.391 1.923 20 0 BDADRP CC1CCC([NH2+]CCCNCCC[NH3+])CC1 ZINC001246452644 987808951 /nfs/dbraw/zinc/80/89/51/987808951.db2.gz LAJASMSZNYFTIH-UHFFFAOYSA-N 2 0 227.396 1.483 20 0 BDADRP CC(C)[NH2+]CCN[C@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246452314 987809355 /nfs/dbraw/zinc/80/93/55/987809355.db2.gz JVTWTJWYDRQFKQ-STQMWFEESA-N 2 0 227.396 1.351 20 0 BDADRP CCC1CCC([NH2+]CCCNCCC[NH3+])CC1 ZINC001246451409 987809897 /nfs/dbraw/zinc/80/98/97/987809897.db2.gz GHNWLPDPWGPYCZ-UHFFFAOYSA-N 2 0 241.423 1.873 20 0 BDADRP CC1(C)CCC[C@H]([NH2+]CCCNCCC[NH3+])C1 ZINC001246455057 987812088 /nfs/dbraw/zinc/81/20/88/987812088.db2.gz WFOWTIRJMOTGRR-ZDUSSCGKSA-N 2 0 241.423 1.873 20 0 BDADRP CC(C)[NH2+]CC[NH2+][C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246455553 987813485 /nfs/dbraw/zinc/81/34/85/987813485.db2.gz XOWHAMHGNHADCE-ZIAGYGMSSA-N 3 0 239.407 1.496 20 0 BDADRP CC[C@@]1(N[C@@H]2CC[NH2+]C(C)(C)C2)CC[NH2+]C1 ZINC001246458503 987816183 /nfs/dbraw/zinc/81/61/83/987816183.db2.gz GZEOFAWXUDUVQD-DGCLKSJQSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@@]1([NH3+])C[C@H]([NH2+][C@@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246458501 987817057 /nfs/dbraw/zinc/81/70/57/987817057.db2.gz GXWTWSNLTWHYDZ-UPJWGTAASA-N 3 0 237.391 1.378 20 0 BDADRP CCC[C@@]1(CN[C@H]2CC[C@@H](C)[NH2+]C2)CC[NH2+]1 ZINC001246461705 987819148 /nfs/dbraw/zinc/81/91/48/987819148.db2.gz PZDICFOUBLHRDR-AGIUHOORSA-N 2 0 225.380 1.249 20 0 BDADRP c1cc2c(cn1)CCC[C@@H]2N[C@H]1CCC[NH2+]C1 ZINC001246463725 987822215 /nfs/dbraw/zinc/82/22/15/987822215.db2.gz OOVKIMGBKKICIT-JSGCOSHPSA-N 2 0 231.343 1.801 20 0 BDADRP CC(C)[C@@H]1C[C@H](N[C@H]2C[C@@](C)([NH3+])C2)CC[NH2+]1 ZINC001246466910 987825590 /nfs/dbraw/zinc/82/55/90/987825590.db2.gz XOIPOEPTPPEFOJ-NDBYEHHHSA-N 2 0 225.380 1.232 20 0 BDADRP CC[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)CC[NH2+]1 ZINC001246475970 987831859 /nfs/dbraw/zinc/83/18/59/987831859.db2.gz IKIWYUYPWPUASS-CYDGBPFRSA-N 3 0 243.370 1.054 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)CCO1 ZINC001246474715 987832319 /nfs/dbraw/zinc/83/23/19/987832319.db2.gz ANIZLJPMDXPFJH-RVMXOQNASA-N 2 0 244.354 1.481 20 0 BDADRP F[C@H]1C[NH2+]CC[C@H]1C[NH2+][C@@H]1CCCOCC1 ZINC001246476725 987833762 /nfs/dbraw/zinc/83/37/62/987833762.db2.gz MEROLUCEVUPBRR-TUAOUCFPSA-N 2 0 230.327 1.093 20 0 BDADRP CC1(C)C[C@H]([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)CC[NH2+]1 ZINC001246477251 987834876 /nfs/dbraw/zinc/83/48/76/987834876.db2.gz NFDRBDHZBSCBHQ-TUAOUCFPSA-N 3 0 243.370 1.054 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC[C@H]2[NH3+])C[C@H](C)O1 ZINC001246480502 987837909 /nfs/dbraw/zinc/83/79/09/987837909.db2.gz ZMUQVPVEIZUOEL-MLGHIDQZSA-N 2 0 226.364 1.802 20 0 BDADRP COC1CCC([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001246478412 987838213 /nfs/dbraw/zinc/83/82/13/987838213.db2.gz VPULBGXBFWOLOV-WTIISPKJSA-N 2 0 244.354 1.481 20 0 BDADRP C[C@H]1C[NH2+]C[C@@H](NC2C[C@@H](C)[NH2+][C@H](C)C2)C1 ZINC001246493804 987846739 /nfs/dbraw/zinc/84/67/39/987846739.db2.gz GAENERHWSJIGFQ-UZWSLXQKSA-N 2 0 225.380 1.103 20 0 BDADRP C[C@H]1C[NH2+]C[C@@H](N[C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)C1 ZINC001246493803 987847191 /nfs/dbraw/zinc/84/71/91/987847191.db2.gz GAENERHWSJIGFQ-LBELIVKGSA-N 2 0 225.380 1.103 20 0 BDADRP CC[NH+](CC)CCN(C)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246519542 987864329 /nfs/dbraw/zinc/86/43/29/987864329.db2.gz BQUOBYRGGAKQRR-OLZOCXBDSA-N 2 0 227.396 1.401 20 0 BDADRP C[NH2+]CCN(C)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246523098 987873182 /nfs/dbraw/zinc/87/31/82/987873182.db2.gz MFYOWHVIWIIVQT-GFCCVEGCSA-N 2 0 225.380 1.060 20 0 BDADRP CCCC[C@H]1C[C@H](N2CC[NH2+]CC2)CC[NH2+]1 ZINC001246522780 987873195 /nfs/dbraw/zinc/87/31/95/987873195.db2.gz BZESUTQFLKUMRY-QWHCGFSZSA-N 2 0 225.380 1.202 20 0 BDADRP CCCC[C@@H]1C[C@@H](N2CC[NH2+]CC2)CC[NH2+]1 ZINC001246522779 987873472 /nfs/dbraw/zinc/87/34/72/987873472.db2.gz BZESUTQFLKUMRY-OLZOCXBDSA-N 2 0 225.380 1.202 20 0 BDADRP CCC[NH+](CCC)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246523137 987873704 /nfs/dbraw/zinc/87/37/04/987873704.db2.gz WGDBPEHJRPVPDR-LBPRGKRZSA-N 2 0 225.380 1.202 20 0 BDADRP CCCC[C@@H]1C[C@@H](N2CC([NH2+]C)C2)CC[NH2+]1 ZINC001246524815 987876328 /nfs/dbraw/zinc/87/63/28/987876328.db2.gz SEFWOXLXCKAERL-YPMHNXCESA-N 2 0 225.380 1.201 20 0 BDADRP CC(C)(C)[C@H]1C[C@H](N2C[C@@H](F)[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246525717 987878720 /nfs/dbraw/zinc/87/87/20/987878720.db2.gz KQFJLYIMQIDVML-WISYIIOYSA-N 2 0 243.370 1.134 20 0 BDADRP CCCC[C@H]1C[C@@H](N2C[C@@H](F)[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246526226 987879978 /nfs/dbraw/zinc/87/99/78/987879978.db2.gz NZQQLHGNIDZUOT-RVMXOQNASA-N 2 0 243.370 1.278 20 0 BDADRP C1C[C@]2(C[NH2+]1)CCC[C@@H]([N@@H+]1CCCNCC1)C2 ZINC001246525893 987880163 /nfs/dbraw/zinc/88/01/63/987880163.db2.gz SYYQZIDFKVMNAX-ZIAGYGMSSA-N 2 0 237.391 1.204 20 0 BDADRP C[C@@]1([NH3+])CCN([C@@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC001246527486 987883406 /nfs/dbraw/zinc/88/34/06/987883406.db2.gz DOVVHOMPMKWHBA-VXGBXAGGSA-N 2 0 223.364 1.084 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2C[C@@H]([NH3+])C3(CC3)C2)CC[NH2+]1 ZINC001246532268 987888933 /nfs/dbraw/zinc/88/89/33/987888933.db2.gz HKVHDZNXDCXKOD-FRRDWIJNSA-N 2 0 237.391 1.186 20 0 BDADRP CC[C@@H]1CC(N2CC[C@](C)([NH3+])C2)C[C@@H](CC)[NH2+]1 ZINC001246531673 987889185 /nfs/dbraw/zinc/88/91/85/987889185.db2.gz RSRICGLSDDVRAU-BZPMIXESSA-N 2 0 239.407 1.719 20 0 BDADRP N[C@@H]1C[N@@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)CC12CC2 ZINC001246533396 987889867 /nfs/dbraw/zinc/88/98/67/987889867.db2.gz NIIVNYFAFLRHSK-CHWSQXEVSA-N 2 0 249.402 1.332 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2[C@@H](C)CC[C@H]2C[NH3+])CC[NH2+]1 ZINC001246537221 987898406 /nfs/dbraw/zinc/89/84/06/987898406.db2.gz GJXNUXPVOOYSSW-CRWXNKLISA-N 2 0 239.407 1.575 20 0 BDADRP CC[C@H]1C[C@H]([NH+]2CCC(C[NH3+])CC2)CC[NH2+]1 ZINC001246537814 987898901 /nfs/dbraw/zinc/89/89/01/987898901.db2.gz LXLFFNMBOODNMC-QWHCGFSZSA-N 3 0 225.380 1.188 20 0 BDADRP C[C@@H](Cc1ccncc1)[NH+]1CCC(C[NH3+])CC1 ZINC001246540055 987900812 /nfs/dbraw/zinc/90/08/12/987900812.db2.gz URMAVLVFDXFUQS-LBPRGKRZSA-N 2 0 233.359 1.683 20 0 BDADRP CSCC[C@@H](C)[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246542994 987911665 /nfs/dbraw/zinc/91/16/65/987911665.db2.gz QWVGDQBZCUZRCU-HBNTYKKESA-N 2 0 216.394 1.655 20 0 BDADRP C[N@@H+]1CCC[C@H](N2CCC[C@@](C)([NH3+])CC2)CC1 ZINC001246546838 987925983 /nfs/dbraw/zinc/92/59/83/987925983.db2.gz ATXGFRVJFFJRQU-UONOGXRCSA-N 2 0 239.407 1.674 20 0 BDADRP CC[C@@H]1C[C@@H](N2CCC[C@@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246548052 987934977 /nfs/dbraw/zinc/93/49/77/987934977.db2.gz FGPPGNMBUGNAQT-HZSPNIEDSA-N 2 0 239.407 1.720 20 0 BDADRP C[C@@H]1[C@H](N)CC[N@@H+]1[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246549512 987935389 /nfs/dbraw/zinc/93/53/89/987935389.db2.gz LBWARYWIOGPWNI-SYQHCUMBSA-N 2 0 237.391 1.330 20 0 BDADRP C[C@@H](Cc1cccnc1)[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246548195 987937959 /nfs/dbraw/zinc/93/79/59/987937959.db2.gz SPLYOHDTJUXIPH-GXTWGEPZSA-N 2 0 233.359 1.826 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@H]([NH3+])CC2)CCO1 ZINC001246548386 987939963 /nfs/dbraw/zinc/93/99/63/987939963.db2.gz TVLOEZJUKZTTEZ-GRYCIOLGSA-N 2 0 212.337 1.367 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CC[C@H](C)[C@@H](O)CC2)CC[NH2+]1 ZINC001246551909 987950992 /nfs/dbraw/zinc/95/09/92/987950992.db2.gz NVVWNFMKJMAQBY-LOWDOPEQSA-N 2 0 226.364 1.220 20 0 BDADRP CC[N@@H+]1CC[C@@H](N2CCC[C@@](C)([NH3+])CC2)C1 ZINC001246554567 987959669 /nfs/dbraw/zinc/95/96/69/987959669.db2.gz WPAILHBBSMCLQY-CHWSQXEVSA-N 2 0 225.380 1.284 20 0 BDADRP C[C@@H]1CC[C@H](C[NH3+])N([C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246554190 987960671 /nfs/dbraw/zinc/96/06/71/987960671.db2.gz CZHORIZLVRHWMZ-RGDJUOJXSA-N 2 0 237.391 1.329 20 0 BDADRP C[NH+]1CCC(N2CCC[C@@](C)([NH3+])CC2)CC1 ZINC001246553420 987962863 /nfs/dbraw/zinc/96/28/63/987962863.db2.gz RTDAPGBHUYMCOQ-CYBMUJFWSA-N 2 0 225.380 1.284 20 0 BDADRP C[C@]1([NH3+])CCCN([C@H]2CCCC[NH2+]C2)CC1 ZINC001246553465 987963127 /nfs/dbraw/zinc/96/31/27/987963127.db2.gz SLXIQTIZSBYQKV-STQMWFEESA-N 2 0 225.380 1.332 20 0 BDADRP C[NH2+]CC[C@@H](C)N1CCC[C@@](C)([NH3+])CC1 ZINC001246555618 987967097 /nfs/dbraw/zinc/96/70/97/987967097.db2.gz XUFFQHRGKZYQKK-VXGBXAGGSA-N 2 0 213.369 1.188 20 0 BDADRP CC[C@H]([NH3+])C[NH2+]CCc1ccc(F)cc1F ZINC001117954073 987968257 /nfs/dbraw/zinc/96/82/57/987968257.db2.gz YSKWIZGATKPPGB-NSHDSACASA-N 2 0 228.286 1.834 20 0 BDADRP CCC[C@@H](CC)[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246556735 987970174 /nfs/dbraw/zinc/97/01/74/987970174.db2.gz FYRPZBBGMFTWRX-OLZOCXBDSA-N 2 0 228.380 1.741 20 0 BDADRP CCC[C@H](CC)[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246556738 987971042 /nfs/dbraw/zinc/97/10/42/987971042.db2.gz FYRPZBBGMFTWRX-STQMWFEESA-N 2 0 228.380 1.741 20 0 BDADRP [NH3+]C[C@H]1CN([C@@H]2CCCC[NH2+]C2)CCC1(F)F ZINC001246557904 987975987 /nfs/dbraw/zinc/97/59/87/987975987.db2.gz IZGIXPIYPKKOSG-WDEREUQCSA-N 2 0 247.333 1.044 20 0 BDADRP CCN1CC[C@@H]([N@@H+]2CCC[C@@](F)(C[NH3+])CC2)C1 ZINC001246560268 987984980 /nfs/dbraw/zinc/98/49/80/987984980.db2.gz QFCNVQKIQCYVOG-OLZOCXBDSA-N 2 0 243.370 1.234 20 0 BDADRP CC(C)C[C@H](O)C[NH2+]C1CCC(C[NH3+])CC1 ZINC001118059392 988002193 /nfs/dbraw/zinc/00/21/93/988002193.db2.gz QIFNXAVJWOWKGO-BPCQOVAHSA-N 2 0 228.380 1.501 20 0 BDADRP C[C@@H]1CC[C@H](N2CC[C@@H](C)[C@@H](C[NH3+])CC2)C[NH2+]1 ZINC001246562712 988008803 /nfs/dbraw/zinc/00/88/03/988008803.db2.gz WDUHZFRSOKVWSG-SYQHCUMBSA-N 2 0 239.407 1.434 20 0 BDADRP C[NH2+]CC[C@H](C)[N@@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001246564520 988010855 /nfs/dbraw/zinc/01/08/55/988010855.db2.gz XQGIKSBYTOBIFQ-RWMBFGLXSA-N 3 0 227.396 1.291 20 0 BDADRP CC[N@@H+]1CCC[C@H](CN[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC001118118010 988021042 /nfs/dbraw/zinc/02/10/42/988021042.db2.gz CEFBWRLHYBZDGH-MCIONIFRSA-N 3 0 239.407 1.435 20 0 BDADRP [NH3+]C[C@]1(O)CCCC[N@@H+]([C@@H]2CCCSC2)C1 ZINC001246565891 988023201 /nfs/dbraw/zinc/02/32/01/988023201.db2.gz ZVWSJMNUTSYKPL-VXGBXAGGSA-N 2 0 244.404 1.058 20 0 BDADRP CSCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246566090 988034054 /nfs/dbraw/zinc/03/40/54/988034054.db2.gz FGAQZWYDBBXHFT-KXUCPTDWSA-N 2 0 202.367 1.407 20 0 BDADRP CSCC[C@@H](C)[N@@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001246569270 988036696 /nfs/dbraw/zinc/03/66/96/988036696.db2.gz OREFZCZKUUXOKV-MXWKQRLJSA-N 2 0 216.394 1.797 20 0 BDADRP C[N@@H+]1CCC[C@@H](N2C[C@H]([NH3+])CC(F)(F)C2)CC1 ZINC001246569286 988043350 /nfs/dbraw/zinc/04/33/50/988043350.db2.gz DHPGCBQIAQVKKL-GHMZBOCLSA-N 2 0 247.333 1.139 20 0 BDADRP C1[NH2+]CC12C[C@@H]([N@H+]1C[C@@H]3CCCC[C@@H]3C1)CCN2 ZINC001246571019 988047552 /nfs/dbraw/zinc/04/75/52/988047552.db2.gz JRXIIDJVGGWVAL-MJBXVCDLSA-N 2 0 249.402 1.202 20 0 BDADRP C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)C[C@H]1C ZINC001246570782 988049836 /nfs/dbraw/zinc/04/98/36/988049836.db2.gz VNNZVJHCPYKXPT-UJPOAAIJSA-N 2 0 226.364 1.205 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](O)[C@H](C)C2)CC[NH2+]1 ZINC001246571268 988058462 /nfs/dbraw/zinc/05/84/62/988058462.db2.gz ASHPNBXEESDEFI-FVCCEPFGSA-N 2 0 226.364 1.220 20 0 BDADRP C[C@@H]1CC(N2C[C@@H](C)CC[C@@H]2C[NH3+])C[C@@H](C)[NH2+]1 ZINC001246573128 988065817 /nfs/dbraw/zinc/06/58/17/988065817.db2.gz YSVJYLFLWYNIQP-UMSGYPCISA-N 2 0 239.407 1.575 20 0 BDADRP C[C@H]1C[C@H]([N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)CC[NH2+]1 ZINC001246573796 988067350 /nfs/dbraw/zinc/06/73/50/988067350.db2.gz ZDMFORNRHUWJSW-XJFOESAGSA-N 3 0 239.407 1.434 20 0 BDADRP CC[N@@H+]1CC[C@@H](N2CCCC[C@@](F)(C[NH3+])C2)C1 ZINC001246574109 988069332 /nfs/dbraw/zinc/06/93/32/988069332.db2.gz DCFKPTCTIFLUAG-CHWSQXEVSA-N 2 0 243.370 1.234 20 0 BDADRP C[C@H]1C[N@@H+](C2CCOCC2)CCC[C@@H]1C[NH3+] ZINC001246573045 988070212 /nfs/dbraw/zinc/07/02/12/988070212.db2.gz YSIPBAQRBGQHTL-NWDGAFQWSA-N 2 0 226.364 1.472 20 0 BDADRP C[C@@H]1CC[C@H](N2CCC[C@](C)(C[NH3+])CC2)C[NH2+]1 ZINC001246574845 988077886 /nfs/dbraw/zinc/07/78/86/988077886.db2.gz JGCOLMDAIYQUQJ-RDBSUJKOSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@@H]1C[C@@H](N2CCCC[C@](C)(C[NH3+])C2)CC[NH2+]1 ZINC001246578784 988099620 /nfs/dbraw/zinc/09/96/20/988099620.db2.gz CDRDBMXQOIDGNI-HZSPNIEDSA-N 2 0 239.407 1.578 20 0 BDADRP C[NH2+]CC[C@H](C)N1CCCC[C@](F)(C[NH3+])C1 ZINC001246579781 988102737 /nfs/dbraw/zinc/10/27/37/988102737.db2.gz LFGPLKSNNQGQTE-RYUDHWBXSA-N 2 0 231.359 1.137 20 0 BDADRP CC1(C)C[C@H](N2CC[C@@H](F)[C@@H]([NH3+])CC2)CC[NH2+]1 ZINC001246580710 988110999 /nfs/dbraw/zinc/11/09/99/988110999.db2.gz DTNIGCNYKJXUIW-UTUOFQBUSA-N 2 0 243.370 1.278 20 0 BDADRP C[N@@H+]1CC[C@@H](N2CCCC[C@](C)(C[NH3+])C2)C1 ZINC001246583356 988121123 /nfs/dbraw/zinc/12/11/23/988121123.db2.gz JURDXDKFUBVOFZ-CHWSQXEVSA-N 2 0 225.380 1.141 20 0 BDADRP C[C@H]1C[C@H]([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CC(C)(C)C1 ZINC001246585832 988139674 /nfs/dbraw/zinc/13/96/74/988139674.db2.gz RGSBJDUSWQZTGG-CYDGBPFRSA-N 2 0 240.391 1.453 20 0 BDADRP CC[C@H]1C[C@H](N2[C@H](C)C[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC001246586831 988143857 /nfs/dbraw/zinc/14/38/57/988143857.db2.gz PARMDZAPTKWEIU-QNWHQSFQSA-N 2 0 225.380 1.199 20 0 BDADRP CC1(C)C[N@H+](C2CC[NH2+]CC2)[C@](C)(CO)C1 ZINC001246588881 988154354 /nfs/dbraw/zinc/15/43/54/988154354.db2.gz LPEYIARCTWNOSR-ZDUSSCGKSA-N 2 0 226.364 1.221 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)NCc1ccccc1C[NH3+] ZINC001118260120 988155001 /nfs/dbraw/zinc/15/50/01/988155001.db2.gz CFHUOMKLFFTSEP-LLVKDONJSA-N 2 0 249.358 1.150 20 0 BDADRP CC1(C)C[N@H+]([C@H]2CCC[NH2+]C2)[C@@](C)(CO)C1 ZINC001246591674 988173124 /nfs/dbraw/zinc/17/31/24/988173124.db2.gz WWDLVOAPPWQKKN-WCQYABFASA-N 2 0 226.364 1.221 20 0 BDADRP C[NH2+]CC1C[NH+]([C@@H]2CC[C@@H](C)[C@H](C)C2)C1 ZINC001246593231 988179739 /nfs/dbraw/zinc/17/97/39/988179739.db2.gz AXJQVGUPZRTYHT-NQBHXWOUSA-N 2 0 210.365 1.962 20 0 BDADRP CC(C)C[NH+]1CCC(N2CC(C)(C[NH3+])C2)CC1 ZINC001246593806 988184026 /nfs/dbraw/zinc/18/40/26/988184026.db2.gz FJHBLQWDQNBIPD-UHFFFAOYSA-N 2 0 239.407 1.387 20 0 BDADRP CC1(C[NH3+])C[NH+]([C@H]2CCCSC2)C1 ZINC001246595612 988189319 /nfs/dbraw/zinc/18/93/19/988189319.db2.gz ILSRLHLNQKELCY-VIFPVBQESA-N 2 0 200.351 1.163 20 0 BDADRP C[C@@H]1C[C@@H](N2CC[NH2+]C[C@@H]2c2ccccc2)C[NH2+]1 ZINC001246596282 988199972 /nfs/dbraw/zinc/19/99/72/988199972.db2.gz WILYIDXSSMUXOT-BPLDGKMQSA-N 2 0 245.370 1.383 20 0 BDADRP C[C@@H]1C[C@H](N2CC[C@]3(C2)CCC[NH2+]C3)CC[NH2+]1 ZINC001246599124 988202192 /nfs/dbraw/zinc/20/21/92/988202192.db2.gz ARHCVOFCHZEXPS-MGPQQGTHSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@H]1C[C@@H]([N@H+](C)[C@H]2CC[C@H](O)CC2)CC[NH2+]1 ZINC001246599967 988211161 /nfs/dbraw/zinc/21/11/61/988211161.db2.gz QLEVCFUPSOLQEO-CYDGBPFRSA-N 2 0 226.364 1.362 20 0 BDADRP C[C@@H]1CC[C@H](N2CCC[C@]23CCC[NH2+]C3)C[NH2+]1 ZINC001246605743 988214112 /nfs/dbraw/zinc/21/41/12/988214112.db2.gz CQOVSUACKQQJGL-RDBSUJKOSA-N 2 0 237.391 1.345 20 0 BDADRP CCCC[C@H]1C[C@H](N2CC3(C[NH2+]C3)C2)CC[NH2+]1 ZINC001246612062 988235045 /nfs/dbraw/zinc/23/50/45/988235045.db2.gz FELLROQAKMIPBT-QWHCGFSZSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@@H]1C[C@H](N2CCC[C@]23CCC[NH2+]C3)CC[NH2+]1 ZINC001246613374 988241475 /nfs/dbraw/zinc/24/14/75/988241475.db2.gz YUMWIAPGVGDONT-MCIONIFRSA-N 2 0 237.391 1.345 20 0 BDADRP C[C@@H]1C[C@@H](N2CCC[C@@]3(CCCC[NH2+]3)C2)C[NH2+]1 ZINC001246611650 988242737 /nfs/dbraw/zinc/24/27/37/988242737.db2.gz GUHBFVRRPVYEIQ-MCIONIFRSA-N 2 0 237.391 1.345 20 0 BDADRP C1CCC2(CCN([C@@H]3CCC[NH2+]C3)CC2)[NH2+]C1 ZINC001246614463 988257025 /nfs/dbraw/zinc/25/70/25/988257025.db2.gz TWHLBIGIUKDMOE-CYBMUJFWSA-N 2 0 237.391 1.347 20 0 BDADRP [NH3+]CC1(F)CC[NH+]([C@H]2CCSC2)CC1 ZINC001246631325 988302396 /nfs/dbraw/zinc/30/23/96/988302396.db2.gz WPBYLJDWUKHRSG-VIFPVBQESA-N 2 0 218.341 1.255 20 0 BDADRP COC(=O)CC[C@@H](C)[NH+]1CCC(F)(C[NH3+])CC1 ZINC001246630751 988306959 /nfs/dbraw/zinc/30/69/59/988306959.db2.gz VCPWLEHKDSJERC-SNVBAGLBSA-N 2 0 246.326 1.091 20 0 BDADRP COC(=O)CC[C@H](C)[NH+]1CCC(F)(C[NH3+])CC1 ZINC001246630748 988307515 /nfs/dbraw/zinc/30/75/15/988307515.db2.gz VCPWLEHKDSJERC-JTQLQIEISA-N 2 0 246.326 1.091 20 0 BDADRP [NH3+]CC1(F)CC[NH+]([C@@H]2CCCSC2)CC1 ZINC001246630738 988308554 /nfs/dbraw/zinc/30/85/54/988308554.db2.gz VAKSUCMMYBJROH-SNVBAGLBSA-N 2 0 232.368 1.645 20 0 BDADRP CC[C@@H]1C[C@H]([NH+]2CCC(F)(C[NH3+])CC2)CCO1 ZINC001246629122 988309866 /nfs/dbraw/zinc/30/98/66/988309866.db2.gz PKMUWYUXODXPRC-VXGBXAGGSA-N 2 0 244.354 1.707 20 0 BDADRP O=C1C[C@H]2C[C@H](N3CC[C@@H]4[NH2+]CC[C@H]43)C[C@H]2C1 ZINC001246633190 988312333 /nfs/dbraw/zinc/31/23/33/988312333.db2.gz JZEZHNABPFZTOE-QPKSUZNQSA-N 2 0 234.343 1.180 20 0 BDADRP OCC[C@@H]1CC12CCN([C@H]1CCC[NH2+]C1)CC2 ZINC001246632151 988317602 /nfs/dbraw/zinc/31/76/02/988317602.db2.gz ZJXYWUJELIKJSQ-OLZOCXBDSA-N 2 0 238.375 1.223 20 0 BDADRP CC1(C)[C@@H]2C[C@H]([N@@H+]3CC[C@H]4[NH2+]CC[C@H]43)C[C@@H]21 ZINC001246637799 988324932 /nfs/dbraw/zinc/32/49/32/988324932.db2.gz KTVRAWSLSRYGJP-NZEXEKPDSA-N 2 0 220.360 1.857 20 0 BDADRP C1C[C@@H]2[C@@H](CC[N@@H+]2[C@@H]2CCCSC2)[NH2+]1 ZINC001246637771 988330215 /nfs/dbraw/zinc/33/02/15/988330215.db2.gz JVZOBGIUXVEWIA-GMTAPVOTSA-N 2 0 212.362 1.318 20 0 BDADRP CC[C@@H]1CC[C@H]([N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246638302 988334657 /nfs/dbraw/zinc/33/46/57/988334657.db2.gz RTCRUKWZFLVFPA-HZSPNIEDSA-N 2 0 237.391 1.202 20 0 BDADRP CC[N@@H+]1CC[C@@H](N2CCCC[C@]23CC[NH2+]C3)C1 ZINC001246644076 988354589 /nfs/dbraw/zinc/35/45/89/988354589.db2.gz PMXHXELBSPZFJX-ZIAGYGMSSA-N 2 0 237.391 1.299 20 0 BDADRP C1C[C@]2(C[NH2+]1)CCCC[N@@H+]2[C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246645662 988363905 /nfs/dbraw/zinc/36/39/05/988363905.db2.gz CWZURFDCLXYQHN-YJNKXOJESA-N 3 0 249.402 1.202 20 0 BDADRP CC(C)[C@H]1C[C@H](N2CC[C@H]3C[NH2+]C[C@H]32)CC[NH2+]1 ZINC001246648262 988368124 /nfs/dbraw/zinc/36/81/24/988368124.db2.gz XHJARYLNXDDUSN-REWJHTLYSA-N 2 0 237.391 1.057 20 0 BDADRP C1C[C@]2(C[NH2+]1)CCCCN2[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246650278 988373530 /nfs/dbraw/zinc/37/35/30/988373530.db2.gz SNEMQRUYZDPFSW-XGUBFFRZSA-N 2 0 249.402 1.487 20 0 BDADRP CC(C)[C@H]1C[C@@H](N2C[C@@H]3CC[NH2+][C@@H]3C2)CC[NH2+]1 ZINC001246649559 988373967 /nfs/dbraw/zinc/37/39/67/988373967.db2.gz CTTIXGIPBBJOLA-IGQOVBAYSA-N 2 0 237.391 1.057 20 0 BDADRP C1C[C@@]2(C[NH2+]1)CCCCN2[C@H]1CCC[NH2+]CC1 ZINC001246650285 988374333 /nfs/dbraw/zinc/37/43/33/988374333.db2.gz SQTVYEDXRAGWHR-UONOGXRCSA-N 2 0 237.391 1.347 20 0 BDADRP COC[C@H](C)[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001246653967 988376482 /nfs/dbraw/zinc/37/64/82/988376482.db2.gz GCAHFWOTLZAHGY-JSGCOSHPSA-N 2 0 240.391 1.875 20 0 BDADRP C1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C2(C1)CC[NH2+]CC2 ZINC001246654963 988377757 /nfs/dbraw/zinc/37/77/57/988377757.db2.gz OQGUXKDIEZOTCI-PBWFPOADSA-N 3 0 249.402 1.487 20 0 BDADRP C1C[C@]2(C[NH2+]1)CCCCN2[C@@H]1CCCC[NH2+]C1 ZINC001246651622 988379050 /nfs/dbraw/zinc/37/90/50/988379050.db2.gz WVQUPNRHGLVINX-KGLIPLIRSA-N 2 0 237.391 1.347 20 0 BDADRP CC[C@H]1C[C@H](N2C[C@H]3CCC[NH2+][C@H]3C2)CC[NH2+]1 ZINC001246655265 988380327 /nfs/dbraw/zinc/38/03/27/988380327.db2.gz GZOYPQGPNUKZBL-RQJABVFESA-N 2 0 237.391 1.201 20 0 BDADRP FC1(F)CC[C@@H]2C[N@@H+]([C@@H]3CCC[NH2+]C3)C[C@@H]21 ZINC001246659831 988391568 /nfs/dbraw/zinc/39/15/68/988391568.db2.gz YGIPGTLEWBGCBL-MXWKQRLJSA-N 2 0 230.302 1.716 20 0 BDADRP C1[C@H]2NCC[N@@H+](C3CCC4(CC[NH2+]CC4)CC3)[C@@H]12 ZINC001246659789 988393041 /nfs/dbraw/zinc/39/30/41/988393041.db2.gz HFCCNPXUWIMIRY-KGLIPLIRSA-N 2 0 249.402 1.345 20 0 BDADRP Cc1nc2c(n1[C@H]1CC[C@@H](C)[NH2+]C1)CC[NH2+]CC2 ZINC001246660597 988394506 /nfs/dbraw/zinc/39/45/06/988394506.db2.gz DPNYRIHQCZSHER-PWSUYJOCSA-N 2 0 248.374 1.193 20 0 BDADRP C1[NH2+][C@@H]2CCCN(C3CCC4(CC[NH2+]C4)CC3)[C@@H]12 ZINC001246661171 988394711 /nfs/dbraw/zinc/39/47/11/988394711.db2.gz KDOPXDWIKBPADQ-FUUBYGMNSA-N 2 0 249.402 1.345 20 0 BDADRP C[C@H]1CC(N2C[C@H]3CCC[NH2+][C@H]3C2)C[C@H](C)[NH2+]1 ZINC001246659391 988395118 /nfs/dbraw/zinc/39/51/18/988395118.db2.gz SACBNFKDHSBAKA-FMSGJZPZSA-N 2 0 237.391 1.199 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2CCC[C@@H]3[NH2+]C[C@H]32)CC[NH2+]1 ZINC001246662894 988397522 /nfs/dbraw/zinc/39/75/22/988397522.db2.gz OBZADNCWWNLAMI-ZOBORPQBSA-N 2 0 237.391 1.199 20 0 BDADRP CC1(C)C[C@H](N2C[C@H]3CCC[C@@]3([NH3+])C2)CC[NH2+]1 ZINC001246664339 988405283 /nfs/dbraw/zinc/40/52/83/988405283.db2.gz MTPDNPGXKVLZDZ-YRGRVCCFSA-N 2 0 237.391 1.330 20 0 BDADRP CC1(C)C[C@@H](N2C[C@H]3CCC[C@@]3([NH3+])C2)CC[NH2+]1 ZINC001246664337 988406419 /nfs/dbraw/zinc/40/64/19/988406419.db2.gz MTPDNPGXKVLZDZ-MBNYWOFBSA-N 2 0 237.391 1.330 20 0 BDADRP CCCC[C@@H]1C[C@@H](N2CC[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC001246674030 988418117 /nfs/dbraw/zinc/41/81/17/988418117.db2.gz RYBUFEFTFHKTQV-MJBXVCDLSA-N 2 0 239.407 1.591 20 0 BDADRP CC[C@H]1CC(N2CC[NH2+][C@H](C)C2)C[C@H](CC)[NH2+]1 ZINC001246677510 988420933 /nfs/dbraw/zinc/42/09/33/988420933.db2.gz IIVSRQIDSBOQER-AGIUHOORSA-N 2 0 239.407 1.589 20 0 BDADRP C[C@H]1C[C@H]([N@H+](C)CC2CC[NH2+]CC2)CC[NH2+]1 ZINC001246677222 988421566 /nfs/dbraw/zinc/42/15/66/988421566.db2.gz HBDADJAJJBAHOK-WCQYABFASA-N 3 0 225.380 1.058 20 0 BDADRP CN(CC1CC[NH2+]CC1)[C@H]1CCCC[NH2+]C1 ZINC001246679952 988430935 /nfs/dbraw/zinc/43/09/35/988430935.db2.gz ZRUNLXBJWWLALN-ZDUSSCGKSA-N 2 0 225.380 1.060 20 0 BDADRP CN(CCC[NH3+])[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246682124 988432546 /nfs/dbraw/zinc/43/25/46/988432546.db2.gz SEBXVJGPVYSKFC-VXGBXAGGSA-N 2 0 227.396 1.434 20 0 BDADRP C[C@@H]1C[NH2+][C@@H](C)CN1C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246694170 988441129 /nfs/dbraw/zinc/44/11/29/988441129.db2.gz VRSICDZLVDGJLJ-FIQHERPVSA-N 2 0 225.380 1.198 20 0 BDADRP CCN(CC[NH+]1CCCC1)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246795449 988473331 /nfs/dbraw/zinc/47/33/31/988473331.db2.gz JHAHWQJSMZRDBF-KBPBESRZSA-N 2 0 239.407 1.545 20 0 BDADRP C[C@@H]1CC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)[C@H](C)C1 ZINC001246810495 988487836 /nfs/dbraw/zinc/48/78/36/988487836.db2.gz NRUJNTYWPQJYMT-JHJVBQTASA-N 2 0 237.391 1.201 20 0 BDADRP CC[C@H]1C[C@@H](N2CC[NH2+]CC2(C)C)CC[NH2+]1 ZINC001246810560 988492161 /nfs/dbraw/zinc/49/21/61/988492161.db2.gz NWTYFNMUMWNNFB-RYUDHWBXSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@H]1C[C@@H]([N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)CC[NH2+]1 ZINC001246808768 988492422 /nfs/dbraw/zinc/49/24/22/988492422.db2.gz PCBCDGGCJRBERP-WJTVCTBASA-N 3 0 223.364 1.081 20 0 BDADRP CC1(C)C[N@@H+](C2CCC3(C[NH2+]C3)CC2)CCN1 ZINC001246814939 988497335 /nfs/dbraw/zinc/49/73/35/988497335.db2.gz ANPPRKJAWGYIKH-UHFFFAOYSA-N 2 0 237.391 1.202 20 0 BDADRP CC[C@@H]1C[C@H](N2CC[C@@H]([NH2+]C)C2)C[C@H](CC)[NH2+]1 ZINC001246815898 988501879 /nfs/dbraw/zinc/50/18/79/988501879.db2.gz YZGQDXQYGADNQN-RQJABVFESA-N 2 0 239.407 1.589 20 0 BDADRP CC[C@H]1CC(N2CC[C@@H]([NH2+]C)C2)C[C@H](CC)[NH2+]1 ZINC001246815899 988503811 /nfs/dbraw/zinc/50/38/11/988503811.db2.gz YZGQDXQYGADNQN-RWMBFGLXSA-N 2 0 239.407 1.589 20 0 BDADRP CC1(C)CN([C@H]2CC[NH2+]C3(CCC3)C2)CC[NH2+]1 ZINC001246818223 988505966 /nfs/dbraw/zinc/50/59/66/988505966.db2.gz XYUHPLJJZYDRDN-LBPRGKRZSA-N 2 0 237.391 1.345 20 0 BDADRP C[C@@H]1CN([C@H]2CC[NH2+]C3(CCC3)C2)C[C@H](C)[NH2+]1 ZINC001246823030 988507467 /nfs/dbraw/zinc/50/74/67/988507467.db2.gz CSBQDNRSLGHAQO-XQQFMLRXSA-N 2 0 237.391 1.343 20 0 BDADRP CCCC[C@@H]1C[C@@H](N2C[C@@H]([NH3+])[C@@H](F)C2)CC[NH2+]1 ZINC001246820378 988509832 /nfs/dbraw/zinc/50/98/32/988509832.db2.gz NZQQLHGNIDZUOT-MROQNXINSA-N 2 0 243.370 1.278 20 0 BDADRP C[C@@H]1C[N@H+](C2CCC3(C[NH2+]C3)CC2)C[C@H](C)N1 ZINC001246825903 988515726 /nfs/dbraw/zinc/51/57/26/988515726.db2.gz WQZORWUKEDNZGD-TXEJJXNPSA-N 2 0 237.391 1.201 20 0 BDADRP CC(C)C[C@H]1CN([C@H]2C[NH2+][C@H](C)C2)CC[NH2+]1 ZINC001246826239 988517867 /nfs/dbraw/zinc/51/78/67/988517867.db2.gz YDSPQUXNVOBAFD-FRRDWIJNSA-N 2 0 225.380 1.057 20 0 BDADRP CN(C1C[NH2+]C1)[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246828621 988520516 /nfs/dbraw/zinc/52/05/16/988520516.db2.gz DFMCHHNQCQLYKL-HIFRSBDPSA-N 2 0 245.370 1.383 20 0 BDADRP CCCCC[C@@H](C)N(CC[NH3+])CC[NH3+] ZINC001246828426 988521845 /nfs/dbraw/zinc/52/18/45/988521845.db2.gz BSJOHSUICPHKTG-LLVKDONJSA-N 2 0 201.358 1.175 20 0 BDADRP CN(C1C[NH2+]C1)[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246828623 988524308 /nfs/dbraw/zinc/52/43/08/988524308.db2.gz DFMCHHNQCQLYKL-ZFWWWQNUSA-N 2 0 245.370 1.383 20 0 BDADRP C[C@@H]1CC[C@H](N(CC[NH3+])CC[NH3+])C[C@H]1C ZINC001246833055 988528093 /nfs/dbraw/zinc/52/80/93/988528093.db2.gz RFFHOHTXFBTZAN-UTUOFQBUSA-N 2 0 213.369 1.031 20 0 BDADRP CC[C@@H]1C[C@@H](N(C)C2C[NH2+]C2)C[C@H](CC)[NH2+]1 ZINC001246831938 988528871 /nfs/dbraw/zinc/52/88/71/988528871.db2.gz GQABFCKOUFVVJR-ZSBIGDGJSA-N 2 0 225.380 1.199 20 0 BDADRP CCCCC[C@@H](CCC)N(CC[NH3+])CC[NH3+] ZINC001246836173 988534192 /nfs/dbraw/zinc/53/41/92/988534192.db2.gz ZXOGKNYZWYUGKD-CYBMUJFWSA-N 2 0 229.412 1.955 20 0 BDADRP C[NH2+]Cc1c(C)nn([C@@H]2CC[NH2+][C@@H](C)C2)c1C ZINC001246843171 988545187 /nfs/dbraw/zinc/54/51/87/988545187.db2.gz BGSAXCQBIBQDON-JOYOIKCWSA-N 2 0 236.363 1.532 20 0 BDADRP CN(C[C@@H]1CCC[NH2+]C1)[C@@H]1CCCC[NH2+]C1 ZINC001246845411 988553279 /nfs/dbraw/zinc/55/32/79/988553279.db2.gz FZGVDDHBAJEYDH-CHWSQXEVSA-N 2 0 225.380 1.060 20 0 BDADRP [NH3+][C@]12CC[C@H]1C[N@@H+]([C@@H]1CCc3ncsc3C1)C2 ZINC001246851269 988569404 /nfs/dbraw/zinc/56/94/04/988569404.db2.gz FBWJRAYDEHXMSH-CWSCBRNRSA-N 2 0 249.383 1.424 20 0 BDADRP CCN([C@H]1CCC[NH2+]C1)[C@@H]1CCCC[NH2+]C1 ZINC001246853145 988570633 /nfs/dbraw/zinc/57/06/33/988570633.db2.gz HCOQQRWVKGYBMW-OLZOCXBDSA-N 2 0 225.380 1.202 20 0 BDADRP CC[C@@H]1CC[C@H]([N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)C1 ZINC001246853249 988572411 /nfs/dbraw/zinc/57/24/11/988572411.db2.gz LJJHBIKVPGLIPC-FVCCEPFGSA-N 2 0 208.349 1.988 20 0 BDADRP [NH3+][C@]12CC[C@@H]1C[N@@H+]([C@@H]1Cc3cccc(F)c3C1)C2 ZINC001246855670 988575870 /nfs/dbraw/zinc/57/58/70/988575870.db2.gz VCEHXFFWHMDBME-JMSVASOKSA-N 2 0 246.329 1.716 20 0 BDADRP CC[C@@H]1C[C@H](N(CC)[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246856219 988583240 /nfs/dbraw/zinc/58/32/40/988583240.db2.gz ZRFHVXANGUIODV-MCIONIFRSA-N 2 0 239.407 1.591 20 0 BDADRP CCCC[C@H](CC)[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246860096 988584749 /nfs/dbraw/zinc/58/47/49/988584749.db2.gz NMSLQCZDYQYTJK-WJLOJVBCSA-N 2 0 240.391 1.861 20 0 BDADRP C[C@H]1C[C@@H]([N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)CC[NH2+]1 ZINC001246858366 988589788 /nfs/dbraw/zinc/58/97/88/988589788.db2.gz GASNYFMBGSQHJV-HTFCKZLJSA-N 2 0 212.312 1.559 20 0 BDADRP C[C@@H]1CC[C@@H](N2CC[C@H]3COC[C@@H]3C2)C[NH2+]1 ZINC001246863543 988608930 /nfs/dbraw/zinc/60/89/30/988608930.db2.gz YKOAAXXRYVQURV-MROQNXINSA-N 2 0 224.348 1.095 20 0 BDADRP [NH3+][C@]12CC[C@@H]1C[N@@H+]([C@H]1CCCSC1)C2 ZINC001246864911 988614715 /nfs/dbraw/zinc/61/47/15/988614715.db2.gz WOIYKLRALPKYQK-VWYCJHECSA-N 2 0 212.362 1.305 20 0 BDADRP CC[C@@H]1C[C@H](N2C[C@H](C)[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC001246871900 988638251 /nfs/dbraw/zinc/63/82/51/988638251.db2.gz ONAMAWVCFWITQD-WUHRBBMRSA-N 2 0 225.380 1.199 20 0 BDADRP C[N@H+](C1CC1)C1CCN(C2CC[NH2+]CC2)CC1 ZINC001246876754 988644009 /nfs/dbraw/zinc/64/40/09/988644009.db2.gz PJOIOXYVPQJSBD-UHFFFAOYSA-N 2 0 237.391 1.297 20 0 BDADRP C[C@H]1CC[C@H](N2CC3(C2)CC[NH+](C)CC3)C[NH2+]1 ZINC001246875498 988644531 /nfs/dbraw/zinc/64/45/31/988644531.db2.gz WWRXRENHSFHKPQ-STQMWFEESA-N 2 0 237.391 1.155 20 0 BDADRP CC[C@H]1C[C@H](N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC001246883061 988648276 /nfs/dbraw/zinc/64/82/76/988648276.db2.gz UHIYSJURCYKYSJ-IGQOVBAYSA-N 2 0 237.391 1.343 20 0 BDADRP CC1(C)C[C@H](N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC001246880588 988651038 /nfs/dbraw/zinc/65/10/38/988651038.db2.gz JIUPTWAUMWZKHA-FRRDWIJNSA-N 2 0 237.391 1.343 20 0 BDADRP CC(C)[C@H]1C[C@@H](N(C)C[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC001246888193 988653464 /nfs/dbraw/zinc/65/34/64/988653464.db2.gz GZZKFTNXFKBVJQ-MELADBBJSA-N 2 0 239.407 1.447 20 0 BDADRP CCN(CC[NH3+])[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246889285 988659397 /nfs/dbraw/zinc/65/93/97/988659397.db2.gz FPAFQEGMIPJPMG-NWDGAFQWSA-N 2 0 227.396 1.434 20 0 BDADRP CCN(CC[NH3+])[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246889288 988659857 /nfs/dbraw/zinc/65/98/57/988659857.db2.gz FPAFQEGMIPJPMG-VXGBXAGGSA-N 2 0 227.396 1.434 20 0 BDADRP CC[C@H]1CC(N2CC([NH3+])(CC)C2)C[C@H](CC)[NH2+]1 ZINC001246893242 988664770 /nfs/dbraw/zinc/66/47/70/988664770.db2.gz IZXPVQQIBOLIIA-RYUDHWBXSA-N 2 0 239.407 1.719 20 0 BDADRP CCN(CC[NH3+])[C@@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246893039 988665787 /nfs/dbraw/zinc/66/57/87/988665787.db2.gz QTINWOJKFWNBKA-VXGBXAGGSA-N 2 0 213.369 1.044 20 0 BDADRP CCCN([C@@H]1C[NH2+][C@@H](C)C1)C1CC[NH2+]CC1 ZINC001246893981 988666280 /nfs/dbraw/zinc/66/62/80/988666280.db2.gz MHHHIHVATDPFBH-AAEUAGOBSA-N 2 0 225.380 1.201 20 0 BDADRP CCC[C@H]1CN([C@@H](C)CC[NH2+]C)CC[NH2+]1 ZINC001246896264 988668700 /nfs/dbraw/zinc/66/87/00/988668700.db2.gz FSPHJGQXUAROCG-RYUDHWBXSA-N 2 0 213.369 1.058 20 0 BDADRP CCC[C@H]1CN([C@H]2CCC[NH2+]CC2)CC[NH2+]1 ZINC001246904659 988669924 /nfs/dbraw/zinc/66/99/24/988669924.db2.gz WJMPCKXEHCNUFV-STQMWFEESA-N 2 0 225.380 1.202 20 0 BDADRP C[C@H]1C[C@H]([NH+]2CCC(C(N)=S)CC2)CC[NH2+]1 ZINC001246901141 988673995 /nfs/dbraw/zinc/67/39/95/988673995.db2.gz ZBLMNLMGZCPRMK-GXSJLCMTSA-N 2 0 241.404 1.125 20 0 BDADRP CCC1([NH3+])CN([C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC001246900343 988675848 /nfs/dbraw/zinc/67/58/48/988675848.db2.gz IBCICBKUVMIZBS-GDNZZTSVSA-N 2 0 223.364 1.083 20 0 BDADRP CCCC[C@H]1CN([C@@H]2CC[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC001246902044 988677124 /nfs/dbraw/zinc/67/71/24/988677124.db2.gz GLIOGILTEIVSMV-MELADBBJSA-N 2 0 239.407 1.591 20 0 BDADRP NC[C@H]1CCC[N@@H+]1[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246907259 988690282 /nfs/dbraw/zinc/69/02/82/988690282.db2.gz JBIKUMILVIXQOM-CHWSQXEVSA-N 2 0 237.391 1.332 20 0 BDADRP CC[C@@H]1CC([N@H+](C)CCO)C[C@@H](CC)[NH2+]1 ZINC001246915948 988704172 /nfs/dbraw/zinc/70/41/72/988704172.db2.gz ZJRLMPSCWPUVLY-GHMZBOCLSA-N 2 0 214.353 1.220 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2C[C@H]3CCCN(C)[C@@H]3C2)CC[NH2+]1 ZINC001246919848 988729424 /nfs/dbraw/zinc/72/94/24/988729424.db2.gz SCVXOZATYXWRHW-AAVRWANBSA-N 2 0 237.391 1.153 20 0 BDADRP C[C@@H]1CC[C@@H](n2ccc3c2CC[NH2+]C3)C[NH2+]1 ZINC001246928475 988753315 /nfs/dbraw/zinc/75/33/15/988753315.db2.gz ZZHSUKUNDBNVJU-ZYHUDNBSSA-N 2 0 219.332 1.447 20 0 BDADRP C[C@H]1C[C@H]([N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CC[NH2+]1 ZINC001246930178 988755362 /nfs/dbraw/zinc/75/53/62/988755362.db2.gz IHYAETYTUINMQG-IGQOVBAYSA-N 3 0 237.391 1.058 20 0 BDADRP CCC[C@@H]1C[NH2+]CCN1[C@H](C)CC[NH2+]C ZINC001246938246 988769133 /nfs/dbraw/zinc/76/91/33/988769133.db2.gz XLRMRRFYSVXDDW-VXGBXAGGSA-N 2 0 213.369 1.058 20 0 BDADRP CCCC[C@H]1C[C@H](N2C[C@@H]3C[NH2+][C@@H]3C2)CC[NH2+]1 ZINC001246937614 988769940 /nfs/dbraw/zinc/76/99/40/988769940.db2.gz ZVFCFIJHPATOBI-IGQOVBAYSA-N 2 0 237.391 1.201 20 0 BDADRP CC[C@@H]1C[C@H](N2CCC[C@@H]([NH3+])[C@@H]2C)CC[NH2+]1 ZINC001246935871 988770190 /nfs/dbraw/zinc/77/01/90/988770190.db2.gz CFDGOGFAFDFVSG-UMSGYPCISA-N 2 0 225.380 1.329 20 0 BDADRP CCCN([C@@H]1CC[NH2+]C1)[C@H]1CC[NH2+][C@H](CC)C1 ZINC001246942043 988772754 /nfs/dbraw/zinc/77/27/54/988772754.db2.gz OAMIIAUZWHNHQL-HZSPNIEDSA-N 2 0 239.407 1.591 20 0 BDADRP CCCN([C@@H]1CC[NH2+]C1)C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246943548 988773512 /nfs/dbraw/zinc/77/35/12/988773512.db2.gz UQJLWJCHWGGOCS-RWMBFGLXSA-N 2 0 239.407 1.589 20 0 BDADRP CC(C)[C@H]1C[C@H](N2C[C@@H](C)[NH2+][C@H](C)C2)CC[NH2+]1 ZINC001246961589 988791271 /nfs/dbraw/zinc/79/12/71/988791271.db2.gz BRWMRJLLAHPAQN-AAVRWANBSA-N 2 0 239.407 1.445 20 0 BDADRP COC(=O)C[C@H]1CC[N@@H+]([C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246970260 988798506 /nfs/dbraw/zinc/79/85/06/988798506.db2.gz YTECPAIIXWQLPB-TUAOUCFPSA-N 2 0 240.347 1.012 20 0 BDADRP CC(C)N([C@@H]1CC[NH2+]C1)[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246970228 988798631 /nfs/dbraw/zinc/79/86/31/988798631.db2.gz YGCQTSNTFBKZRI-QWHCGFSZSA-N 2 0 239.407 1.589 20 0 BDADRP CC[C@H]([NH3+])CN(C)[C@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246972219 988799935 /nfs/dbraw/zinc/79/99/35/988799935.db2.gz BIPSOJZJCDQUMS-RWMBFGLXSA-N 2 0 227.396 1.432 20 0 BDADRP CC[N@H+]1C[C@@H]2C[NH+]([C@@H]3CC[NH2+][C@@H](C)C3)C[C@@H]2C1 ZINC001246980686 988812375 /nfs/dbraw/zinc/81/23/75/988812375.db2.gz RQUDCGUBTPFJRG-IGQOVBAYSA-N 3 0 237.391 1.010 20 0 BDADRP CC(C)(C)[C@H]1C[C@@H](N2CC[NH2+]C2)CC[NH2+]1 ZINC001246989842 988822452 /nfs/dbraw/zinc/82/24/52/988822452.db2.gz IPJFTULWRYYVIC-WDEREUQCSA-N 2 0 211.353 1.016 20 0 BDADRP C[N@@H+]1CCN([C@@H]2CCC[NH2+]C2)C2(CCCC2)C1 ZINC001246990748 988826631 /nfs/dbraw/zinc/82/66/31/988826631.db2.gz IYNMWAGVEJUAAS-CYBMUJFWSA-N 2 0 237.391 1.299 20 0 BDADRP C[C@@H]1C[C@@H](N2CC[NH2+]C3=CCCC[C@@H]32)CC[NH2+]1 ZINC001246996527 988827707 /nfs/dbraw/zinc/82/77/07/988827707.db2.gz PBGBFFFZAKGMPQ-DYEKYZERSA-N 2 0 235.375 1.469 20 0 BDADRP CCCN(C[C@@H]1CC[NH2+]C1)[C@@H](C)CC[NH2+]C ZINC001246997047 988829018 /nfs/dbraw/zinc/82/90/18/988829018.db2.gz USNDCBVUGRJEOV-QWHCGFSZSA-N 2 0 227.396 1.306 20 0 BDADRP COC(=O)[C@]1(C)CC[N@@H+]([C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001247000380 988832475 /nfs/dbraw/zinc/83/24/75/988832475.db2.gz ICXCBLVSZAKXHT-GMXVVIOVSA-N 2 0 240.347 1.012 20 0 BDADRP COC(=O)[C@]1(C)CC[N@@H+]([C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001247000379 988833946 /nfs/dbraw/zinc/83/39/46/988833946.db2.gz ICXCBLVSZAKXHT-DMDPSCGWSA-N 2 0 240.347 1.012 20 0 BDADRP C[C@@H]1C[C@@H](N2CCC3(CC[C@@H]3[NH3+])CC2)CC[NH2+]1 ZINC001247004829 988835793 /nfs/dbraw/zinc/83/57/93/988835793.db2.gz VPPHCTYEXXAGJQ-AGIUHOORSA-N 2 0 237.391 1.330 20 0 BDADRP C[C@@H]1CCC[N@H+](CCNc2nccnc2C[NH3+])C1 ZINC001515361153 989036403 /nfs/dbraw/zinc/03/64/03/989036403.db2.gz BYXIXIUNWBWEFI-LLVKDONJSA-N 2 0 249.362 1.079 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+]CC[C@H](C)[NH+](C)C ZINC001119449509 989083612 /nfs/dbraw/zinc/08/36/12/989083612.db2.gz ACBYUAUFVINFAA-NEPJUHHUSA-N 2 0 224.352 1.201 20 0 BDADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNc1ccnc(N)n1 ZINC001515702795 989103014 /nfs/dbraw/zinc/10/30/14/989103014.db2.gz QTLCBICEMKSTHR-JTQLQIEISA-N 2 0 249.362 1.591 20 0 BDADRP C[NH2+][C@@H](C)CC[NH2+]CC(C)(C)COC ZINC001325318310 989158170 /nfs/dbraw/zinc/15/81/70/989158170.db2.gz DMHVTRMLSOACFJ-JTQLQIEISA-N 2 0 202.342 1.247 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+]Cc1cccc2c[nH]nc21 ZINC001325625252 989220232 /nfs/dbraw/zinc/22/02/32/989220232.db2.gz JLMCVSWWPIFELE-SNVBAGLBSA-N 2 0 232.331 1.651 20 0 BDADRP Nc1c[nH+]cn1C1=CC[C@@H]([NH+]2CCOCC2)CC1 ZINC001249555846 989304715 /nfs/dbraw/zinc/30/47/15/989304715.db2.gz AZEMBNWLPRHBLB-LLVKDONJSA-N 2 0 248.330 1.191 20 0 BDADRP C[NH2+]C1CCN(C(=O)CCCCCC[NH3+])CC1 ZINC001326075972 989366865 /nfs/dbraw/zinc/36/68/65/989366865.db2.gz RCFOBOGHAQTVQI-UHFFFAOYSA-N 2 0 241.379 1.106 20 0 BDADRP CC(C)[C@H](N)c1nc([C@H](N)c2ccccc2)no1 ZINC001326204517 989427433 /nfs/dbraw/zinc/42/74/33/989427433.db2.gz SGYVXVFFWINUPJ-WDEREUQCSA-N 2 0 246.314 1.774 20 0 BDADRP CC[C@H]([NH2+]CC[C@H](C)[NH2+]C)[C@H]1CCOC1 ZINC001326474558 989572172 /nfs/dbraw/zinc/57/21/72/989572172.db2.gz YOSVKNFSHZDNIK-SRVKXCTJSA-N 2 0 214.353 1.389 20 0 BDADRP C[NH2+][C@H](C)CCN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC001326473421 989572594 /nfs/dbraw/zinc/57/25/94/989572594.db2.gz JTQAFEYKFFTJQG-IJLUTSLNSA-N 2 0 213.369 1.105 20 0 BDADRP CC[C@H]([NH2+]CC[C@@H](C)[NH2+]C)[C@H]1CCOC1 ZINC001326474562 989574171 /nfs/dbraw/zinc/57/41/71/989574171.db2.gz YOSVKNFSHZDNIK-WOPDTQHZSA-N 2 0 214.353 1.389 20 0 BDADRP CC(C)C[C@@H]([NH3+])CC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC001521527518 989731002 /nfs/dbraw/zinc/73/10/02/989731002.db2.gz MUZDYMASYCUIKT-VXGBXAGGSA-N 2 0 241.379 1.008 20 0 BDADRP C1C[NH2+][C@@H](c2noc([C@H]3CCCCC[NH2+]3)n2)C1 ZINC001326978133 989798122 /nfs/dbraw/zinc/79/81/22/989798122.db2.gz NQQQASAOFPIHJY-NXEZZACHSA-N 2 0 236.319 1.699 20 0 BDADRP C[C@@H]([NH3+])CC(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC001523568469 989936281 /nfs/dbraw/zinc/93/62/81/989936281.db2.gz WUZFOQQNLYSBMG-SECBINFHSA-N 2 0 235.331 1.556 20 0 BDADRP CCC[NH2+]CCNC(=O)[C@](C)(C[NH3+])CC(C)C ZINC001121930389 990136369 /nfs/dbraw/zinc/13/63/69/990136369.db2.gz GDVZHZCWTOIGHD-ZDUSSCGKSA-N 2 0 243.395 1.113 20 0 BDADRP C[NH2+]CCCCC(=O)NC(C)(C)CCC[NH3+] ZINC001122022789 990192270 /nfs/dbraw/zinc/19/22/70/990192270.db2.gz WMENIUOWVDEPIL-UHFFFAOYSA-N 2 0 229.368 1.010 20 0 BDADRP CC(C)C[C@@H]([NH3+])CC(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC001122047016 990205383 /nfs/dbraw/zinc/20/53/83/990205383.db2.gz JZXBPVZFMSSCEV-IJLUTSLNSA-N 2 0 241.379 1.088 20 0 BDADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)NCC1([NH3+])CCCC1 ZINC001122143803 990259718 /nfs/dbraw/zinc/25/97/18/990259718.db2.gz QGKVCZWWFTXOPV-WDEREUQCSA-N 2 0 241.379 1.138 20 0 BDADRP CCN(C(=O)CCC(C)(C)[NH3+])C1CC[NH2+]CC1 ZINC001122496089 990399742 /nfs/dbraw/zinc/39/97/42/990399742.db2.gz OGBRDPYNOOMSSO-UHFFFAOYSA-N 2 0 241.379 1.104 20 0 BDADRP C[N@@H+]1CC[C@@H]2CN(Cc3ccc(F)nc3)C[C@@H]2C1 ZINC001137736317 990844980 /nfs/dbraw/zinc/84/49/80/990844980.db2.gz IUQNPNGIKULPIR-OLZOCXBDSA-N 2 0 249.333 1.604 20 0 BDADRP C[NH+]1CCC2(C[NH+](Cc3ncccc3O)C2)CC1 ZINC001138395296 990935773 /nfs/dbraw/zinc/93/57/73/990935773.db2.gz BFQJQUICOMPYMC-UHFFFAOYSA-N 2 0 247.342 1.315 20 0 BDADRP CCOC(=O)CCC[C@@H](C)N1CCC[C@H]([NH3+])C1 ZINC001258105959 991015538 /nfs/dbraw/zinc/01/55/38/991015538.db2.gz VFOBLPUGDMYOLU-NEPJUHHUSA-N 2 0 242.363 1.531 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+](Cc1cccnc1F)CC2 ZINC001138793246 991058766 /nfs/dbraw/zinc/05/87/66/991058766.db2.gz GCZHLXPLZUNJOB-UHFFFAOYSA-N 2 0 249.333 1.748 20 0 BDADRP C[C@@H](Cc1ccco1)[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC001258186055 991089641 /nfs/dbraw/zinc/08/96/41/991089641.db2.gz VJLGIZFUSRSZIV-ZMLRMANQSA-N 2 0 208.305 1.680 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H]2C[C@H](CO)C2)CC1 ZINC001308952888 991231790 /nfs/dbraw/zinc/23/17/90/991231790.db2.gz OMBAXUOTZSXXKU-JOCQHMNTSA-N 2 0 226.364 1.079 20 0 BDADRP Cc1c[nH]c(=O)c(C[NH2+]CC2CC[NH+](C)CC2)c1 ZINC001308969149 991238135 /nfs/dbraw/zinc/23/81/35/991238135.db2.gz ULENDDVIDRBYTC-UHFFFAOYSA-N 2 0 249.358 1.527 20 0 BDADRP COC(=O)CC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC001258350889 991276987 /nfs/dbraw/zinc/27/69/87/991276987.db2.gz DYPADLDDYYGYOV-NEPJUHHUSA-N 2 0 242.363 1.260 20 0 BDADRP COC(=O)CC[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC001258347308 991279921 /nfs/dbraw/zinc/27/99/21/991279921.db2.gz RJMWFLHYQBEOQR-NSHDSACASA-N 2 0 242.363 1.260 20 0 BDADRP C[C@@H](CC1CC1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001258473595 991445097 /nfs/dbraw/zinc/44/50/97/991445097.db2.gz OSLKMRRDYLIFCE-WCFLWFBJSA-N 2 0 208.349 1.668 20 0 BDADRP CC[N@@H+]1CCC[C@H](CNCc2ccnn2C)C1 ZINC001560297391 991448532 /nfs/dbraw/zinc/44/85/32/991448532.db2.gz CEGUWNWBEBXHCR-GFCCVEGCSA-N 2 0 236.363 1.242 20 0 BDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCC[C@H]1C ZINC001560315439 991452130 /nfs/dbraw/zinc/45/21/30/991452130.db2.gz BARGTLKCUHARFP-MCIONIFRSA-N 2 0 239.407 1.401 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccncc3[O-])C[C@@H]2C1 ZINC001140274846 991580100 /nfs/dbraw/zinc/58/01/00/991580100.db2.gz NJQNMQOJBPQYPM-YPMHNXCESA-N 2 0 247.342 1.171 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH3+])CC(C)(C)C1 ZINC001258685550 991619387 /nfs/dbraw/zinc/61/93/87/991619387.db2.gz OTHWLLIXVBAKTE-MXWKQRLJSA-N 2 0 214.353 1.110 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H](CO)CCF)CC1 ZINC001560913904 991649588 /nfs/dbraw/zinc/64/95/88/991649588.db2.gz TYNLYPWRABTXQK-LBPRGKRZSA-N 2 0 232.343 1.028 20 0 BDADRP CCCC[C@H](CCC)[NH2+]C[C@@H](C[NH3+])C(=O)OC ZINC001258755058 991692354 /nfs/dbraw/zinc/69/23/54/991692354.db2.gz CMSVUVBSDIBFED-NEPJUHHUSA-N 2 0 244.379 1.683 20 0 BDADRP CC1CC([NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)C1 ZINC001561052892 991706982 /nfs/dbraw/zinc/70/69/82/991706982.db2.gz OCHPPFKFGFCHAP-MMJCSWOSSA-N 2 0 208.349 1.715 20 0 BDADRP CCC[NH+]1CCC([NH2+]C2CC3(COC3)C2)CC1 ZINC001258765847 991727023 /nfs/dbraw/zinc/72/70/23/991727023.db2.gz DZOMSAKBCHZKPV-UHFFFAOYSA-N 2 0 238.375 1.629 20 0 BDADRP CCC[NH+]1CCC([NH2+]C(C)(C)C(C)(C)O)CC1 ZINC001258770867 991732681 /nfs/dbraw/zinc/73/26/81/991732681.db2.gz SSGSYCQNRFRYEO-UHFFFAOYSA-N 2 0 242.407 2.000 20 0 BDADRP CCC[NH+]1CCC([N@@H+]2CCOC[C@@H](C)C2)CC1 ZINC001258771692 991737696 /nfs/dbraw/zinc/73/76/96/991737696.db2.gz OZUNKHWPDFTHTB-ZDUSSCGKSA-N 2 0 240.391 1.829 20 0 BDADRP CCC[NH+]1CCC([NH+]2CCC(CO)CC2)CC1 ZINC001258772367 991737740 /nfs/dbraw/zinc/73/77/40/991737740.db2.gz OOBUYEYKQLAJGS-UHFFFAOYSA-N 2 0 240.391 1.565 20 0 BDADRP CC[C@@H](C)C[C@H](CC)[NH2+]CCOCC[NH3+] ZINC001258780098 991749579 /nfs/dbraw/zinc/74/95/79/991749579.db2.gz KQNHTUTUJXBDAA-NEPJUHHUSA-N 2 0 216.369 1.766 20 0 BDADRP CC[C@H](C)C[C@H](CC)[NH+]1CCN(CC[NH3+])CC1 ZINC001258780628 991748909 /nfs/dbraw/zinc/74/89/09/991748909.db2.gz PZNZDVZNMOFXJL-KBPBESRZSA-N 2 0 241.423 1.778 20 0 BDADRP C[C@@H]1CCC[C@@H](NC(=[NH2+])NCCCC[NH3+])C1 ZINC001258809213 991815194 /nfs/dbraw/zinc/81/51/94/991815194.db2.gz WOWYOYPIKIILGF-GHMZBOCLSA-N 2 0 226.368 1.418 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]CC1CC(O)C1 ZINC001258899894 991890832 /nfs/dbraw/zinc/89/08/32/991890832.db2.gz VTHZLTJLMNXWSA-IYXRBSQSSA-N 2 0 242.407 1.857 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]CC1(F)COC1 ZINC001258899798 991895788 /nfs/dbraw/zinc/89/57/88/991895788.db2.gz RJDHXUCDRNXSNS-GFCCVEGCSA-N 2 0 246.370 1.825 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1C[C@](C)(O)C1 ZINC001258899399 991896712 /nfs/dbraw/zinc/89/67/12/991896712.db2.gz KIRWVHJMCDUKIJ-IHRRRGAJSA-N 2 0 242.407 2.000 20 0 BDADRP CC(C)[NH2+][C@@H](CNC(=O)CC[NH+](C)C)C(C)C ZINC001568460750 992169496 /nfs/dbraw/zinc/16/94/96/992169496.db2.gz LVMTWHUYYGUWCH-LBPRGKRZSA-N 2 0 243.395 1.077 20 0 BDADRP CC[NH2+][C@H](CNC(=O)[C@H](CC)[NH+](C)C)C(C)C ZINC001568466758 992170763 /nfs/dbraw/zinc/17/07/63/992170763.db2.gz GMIBYPWKYSHQFU-NEPJUHHUSA-N 2 0 243.395 1.077 20 0 BDADRP CCN(CC[NH2+]C(C)C)C(=O)CCC[NH+](C)C ZINC001568770001 992217990 /nfs/dbraw/zinc/21/79/90/992217990.db2.gz RTTPWYROWVUBHK-UHFFFAOYSA-N 2 0 243.395 1.175 20 0 BDADRP CC(C)[NH2+]CCC(=O)NCc1ccccc1C[NH3+] ZINC001261492175 992338057 /nfs/dbraw/zinc/33/80/57/992338057.db2.gz TVFXFJPPSRHNAX-UHFFFAOYSA-N 2 0 249.358 1.150 20 0 BDADRP CC[N@@H+]1CCC[C@H](CNC(=[NH2+])N(C)C2CC2)C1 ZINC001261566399 992384835 /nfs/dbraw/zinc/38/48/35/992384835.db2.gz FSZQXTALRBVCLZ-LLVKDONJSA-N 2 0 238.379 1.337 20 0 BDADRP CC[C@H](C)NC(=[NH2+])NC[C@H]1CCC[N@H+](CC)C1 ZINC001261566655 992389159 /nfs/dbraw/zinc/38/91/59/992389159.db2.gz VBJWZHKWJXHBSJ-NWDGAFQWSA-N 2 0 240.395 1.631 20 0 BDADRP C([N@@H+]1CCCC2(CC[NH2+]CC2)C1)[C@]12C[C@H]1C[NH2+]C2 ZINC001261648037 992443597 /nfs/dbraw/zinc/44/35/97/992443597.db2.gz PZIUUDZNISGYLZ-DZGCQCFKSA-N 3 0 249.402 1.062 20 0 BDADRP CCC[NH2+][C@H](C)[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001570653703 992494759 /nfs/dbraw/zinc/49/47/59/992494759.db2.gz VBNRUERVIHZCNL-NEPJUHHUSA-N 2 0 243.395 1.219 20 0 BDADRP CC(C)[C@@H]1C[C@H]1C[NH2+]CC1CC[NH2+]CC1 ZINC001573526505 992625569 /nfs/dbraw/zinc/62/55/69/992625569.db2.gz SUMDYSFCULGIGC-STQMWFEESA-N 2 0 210.365 1.868 20 0 BDADRP C[NH2+]C[C@@H](C)CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC001262202526 992800389 /nfs/dbraw/zinc/80/03/89/992800389.db2.gz WGJNIXZZWXGMBB-FVCCEPFGSA-N 2 0 239.407 1.208 20 0 BDADRP C(CC1CC[NH2+]CC1)[NH2+][C@@H]1C[C@@H]2COC[C@H]12 ZINC001574775452 992897612 /nfs/dbraw/zinc/89/76/12/992897612.db2.gz ZQEAAGOWWPQFLN-FRRDWIJNSA-N 2 0 224.348 1.001 20 0 BDADRP C(C[NH+]1CCCCC1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC001574801857 992913505 /nfs/dbraw/zinc/91/35/05/992913505.db2.gz ZLFFEIVXBAIGSC-KGLIPLIRSA-N 2 0 237.391 1.347 20 0 BDADRP C(CN1CC[NH2+]CC1)[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001574801657 992914610 /nfs/dbraw/zinc/91/46/10/992914610.db2.gz USTIABJVVPFORC-WDNDVIMCSA-N 2 0 237.391 1.060 20 0 BDADRP C1C[C@@H]2[NH2+][C@H]1C[C@H]2[NH2+][C@H]1CCCSCC1 ZINC001574816850 992917823 /nfs/dbraw/zinc/91/78/23/992917823.db2.gz OAVCHIWOOUNPEM-WHOHXGKFSA-N 2 0 226.389 1.755 20 0 BDADRP C1C[C@@H]2[NH2+][C@H]1C[C@@H]2[NH2+][C@H]1CCCOCC1 ZINC001574817347 992920280 /nfs/dbraw/zinc/92/02/80/992920280.db2.gz ZDZFSDDWAXLUSB-USZNOCQGSA-N 2 0 210.321 1.038 20 0 BDADRP C([NH2+][C@]12CCC[C@H]1[NH2+]CC2)C1CCOCC1 ZINC001574817189 992922671 /nfs/dbraw/zinc/92/26/71/992922671.db2.gz SBHTZGFCLTUPPW-OLZOCXBDSA-N 2 0 224.348 1.287 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])C[NH2+]C1CC(CCO)C1 ZINC001575131837 992994720 /nfs/dbraw/zinc/99/47/20/992994720.db2.gz XEMSCUOBIPLTRK-OTTFEQOBSA-N 2 0 242.407 1.891 20 0 BDADRP CC(C)(C[NH3+])C[N@@H+]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001575314896 993006586 /nfs/dbraw/zinc/00/65/86/993006586.db2.gz BPRCSBBXUZERAQ-DTWKUNHWSA-N 2 0 218.291 1.558 20 0 BDADRP CC(C)(C[NH3+])CNC[C@H]1CC[N@@H+]1C(C)(C)C ZINC001575314851 993010130 /nfs/dbraw/zinc/01/01/30/993010130.db2.gz AGWRBIBVNQOGIA-LLVKDONJSA-N 2 0 227.396 1.434 20 0 BDADRP CC(C)([NH3+])C(=O)Nc1ccc2c[nH+]cn2c1 ZINC001575345345 993018253 /nfs/dbraw/zinc/01/82/53/993018253.db2.gz DIKHTHNVDDEKII-UHFFFAOYSA-N 2 0 218.260 1.010 20 0 BDADRP CC(C)[C@@H](C[NH3+])CNC[C@H]1C[NH+]2CCC1CC2 ZINC001575421752 993041452 /nfs/dbraw/zinc/04/14/52/993041452.db2.gz CNXISJXQUOFPAE-KBPBESRZSA-N 2 0 239.407 1.149 20 0 BDADRP CC(C)C1(O)CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC001575497323 993056812 /nfs/dbraw/zinc/05/68/12/993056812.db2.gz WSPTZOXDXARBNI-CYBMUJFWSA-N 2 0 240.391 1.469 20 0 BDADRP CC(C)COC1C[NH+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001575613339 993083907 /nfs/dbraw/zinc/08/39/07/993083907.db2.gz OWVXDEIBGGRISX-PHIMTYICSA-N 2 0 212.337 1.081 20 0 BDADRP CC(C)C[C@@H](CO)[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC001575618258 993085539 /nfs/dbraw/zinc/08/55/39/993085539.db2.gz BVECIAUFGMRPDE-GARJFASQSA-N 2 0 214.353 1.109 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C2CC3(C[C@H]3[NH3+])C2)C1 ZINC001575696440 993094097 /nfs/dbraw/zinc/09/40/97/993094097.db2.gz ASFMZYXRZJZUDG-NELGMTEASA-N 3 0 237.391 1.186 20 0 BDADRP CC(C)[NH+]1CCC(CC[NH2+]C2CC([NH3+])C2)CC1 ZINC001575697115 993095896 /nfs/dbraw/zinc/09/58/96/993095896.db2.gz QGVSALVOWOPRQM-UHFFFAOYSA-N 3 0 239.407 1.576 20 0 BDADRP CC(C)C[C@@H]([NH3+])CC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001263106258 993116964 /nfs/dbraw/zinc/11/69/64/993116964.db2.gz PYVXAUXAJJFLPG-IJLUTSLNSA-N 2 0 241.379 1.136 20 0 BDADRP C[C@H](CC(C)(C)C)[NH2+]C[C@]1(O)CC[NH2+]C1 ZINC001575920553 993117674 /nfs/dbraw/zinc/11/76/74/993117674.db2.gz ANTPJODKSSZHMK-PWSUYJOCSA-N 2 0 214.353 1.125 20 0 BDADRP C[C@@H](CC1CCCC1)[NH2+]C[C@]1(O)CC[NH2+]C1 ZINC001575933704 993130655 /nfs/dbraw/zinc/13/06/55/993130655.db2.gz JRVMVSLMRZPBAF-AAEUAGOBSA-N 2 0 226.364 1.269 20 0 BDADRP C[NH2+]C[C@@H]1CCCCN1C(=O)CCCCC[NH3+] ZINC001263192967 993159314 /nfs/dbraw/zinc/15/93/14/993159314.db2.gz VOJGNQMJPBTARZ-LBPRGKRZSA-N 2 0 241.379 1.106 20 0 BDADRP C[C@@H](CNC[C@H]([NH3+])CC(F)F)C[NH+]1CCCC1 ZINC001576032252 993162518 /nfs/dbraw/zinc/16/25/18/993162518.db2.gz AJONCVBLQRDZEY-WDEREUQCSA-N 2 0 249.349 1.290 20 0 BDADRP C[C@H](CNC[C@H]([NH3+])CC(F)F)C[NH+]1CCCC1 ZINC001576032249 993162770 /nfs/dbraw/zinc/16/27/70/993162770.db2.gz AJONCVBLQRDZEY-GHMZBOCLSA-N 2 0 249.349 1.290 20 0 BDADRP C[C@H](COCC1CC1)[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001576041156 993165173 /nfs/dbraw/zinc/16/51/73/993165173.db2.gz NPVTVFNHNSOEEE-GJZUFXHJSA-N 2 0 224.348 1.271 20 0 BDADRP C[C@H]([NH3+])CN1CC[N@H+](C2CCCC2)[C@H](C)C1 ZINC001576157156 993196513 /nfs/dbraw/zinc/19/65/13/993196513.db2.gz OFJAZHXMSIDRAY-NWDGAFQWSA-N 2 0 225.380 1.282 20 0 BDADRP C[C@H]([NH2+]C1CC2(C[C@H]2[NH3+])C1)[C@H]1CCCOC1 ZINC001576239921 993227495 /nfs/dbraw/zinc/22/74/95/993227495.db2.gz UCGTVCKVEUHMHI-QTGKYELZSA-N 2 0 224.348 1.271 20 0 BDADRP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H]1[NH2+]2)C1CCOCC1 ZINC001576252060 993232534 /nfs/dbraw/zinc/23/25/34/993232534.db2.gz PGFMULRRVWVQTA-RYDUCSDGSA-N 2 0 224.348 1.284 20 0 BDADRP C[C@H]([C@H](C)O)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001576262568 993238975 /nfs/dbraw/zinc/23/89/75/993238975.db2.gz FHKLCEUDHZJYPL-NEPJUHHUSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@H](O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC001576267581 993240156 /nfs/dbraw/zinc/24/01/56/993240156.db2.gz WYPUQDHSRUPYDN-WUHRBBMRSA-N 2 0 226.364 1.077 20 0 BDADRP C[C@H](c1nccc(N)n1)[N@H+](C)CC1CC[NH2+]CC1 ZINC001576314032 993256085 /nfs/dbraw/zinc/25/60/85/993256085.db2.gz CPWRFJRARZDWAV-SNVBAGLBSA-N 2 0 249.362 1.051 20 0 BDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCOCC1CCC1 ZINC001576380735 993284685 /nfs/dbraw/zinc/28/46/85/993284685.db2.gz XQSKDHXKFODOOA-RYUDHWBXSA-N 2 0 226.364 1.519 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC001576381676 993289844 /nfs/dbraw/zinc/28/98/44/993289844.db2.gz DEFRPERUUVCDRM-AIGXORKKSA-N 2 0 236.359 1.125 20 0 BDADRP CC1(C)C[C@H](O)C[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001576395110 993297277 /nfs/dbraw/zinc/29/72/77/993297277.db2.gz XVXBCHYKXDKOPO-TUAOUCFPSA-N 2 0 226.364 1.207 20 0 BDADRP CC1(C)CO[C@@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(C)C2)C1 ZINC001576484052 993318832 /nfs/dbraw/zinc/31/88/32/993318832.db2.gz LJLDCHGMAZQACT-BZPMIXESSA-N 2 0 238.375 1.343 20 0 BDADRP C[C@]1(C[N@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)CCC[NH2+]C1 ZINC001576502949 993325343 /nfs/dbraw/zinc/32/53/43/993325343.db2.gz JLZBVDZZQZZLTG-RQJABVFESA-N 2 0 238.375 1.079 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CC[C@@H](F)C2)CC1 ZINC000380355655 993327470 /nfs/dbraw/zinc/32/74/70/993327470.db2.gz WSRMGWAYPIFDPV-WOPDTQHZSA-N 2 0 214.328 1.951 20 0 BDADRP C[C@@]1(C[NH2+]C2CC3(C[C@H]3[NH3+])C2)CCCCO1 ZINC001576519112 993329717 /nfs/dbraw/zinc/32/97/17/993329717.db2.gz KKBLAQKVOYSUND-QBHFIFKDSA-N 2 0 224.348 1.415 20 0 BDADRP [NH3+]C[C@@H]1CCCC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000380668637 993341721 /nfs/dbraw/zinc/34/17/21/993341721.db2.gz AIOBYBBOUGREIK-STQMWFEESA-N 2 0 226.364 1.474 20 0 BDADRP [NH3+]C[C@@H]1CCCC[N@H+](C[C@H]2CCCOC2)C1 ZINC000380668636 993342962 /nfs/dbraw/zinc/34/29/62/993342962.db2.gz AIOBYBBOUGREIK-QWHCGFSZSA-N 2 0 226.364 1.474 20 0 BDADRP C[C@@]1(O)CCC[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC001576547741 993343059 /nfs/dbraw/zinc/34/30/59/993343059.db2.gz XMIWWLKDSBWEFP-YNEHKIRRSA-N 2 0 226.364 1.351 20 0 BDADRP C[C@@H]1[C@H](CO)CC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001576571909 993348364 /nfs/dbraw/zinc/34/83/64/993348364.db2.gz HDMIDCMIDHVLJW-UPJWGTAASA-N 2 0 226.364 1.079 20 0 BDADRP C[C@H]1CC(C)(C)C[N@@H+]1C[C@]1(O)CCC[NH2+]C1 ZINC001576589502 993359353 /nfs/dbraw/zinc/35/93/53/993359353.db2.gz QJBNKDTYSZBBGZ-AAEUAGOBSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@H]1C[C@H](C[N@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)CC[NH2+]1 ZINC001576597829 993361943 /nfs/dbraw/zinc/36/19/43/993361943.db2.gz JEPSASZRNGYPIY-MQLXINIDSA-N 2 0 238.375 1.077 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+]C[C@@H]2CCCCN2C)CC[NH2+]1 ZINC001576599910 993362536 /nfs/dbraw/zinc/36/25/36/993362536.db2.gz YKNZVWNWYPDFBP-RDBSUJKOSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H]1C[C@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(C)C2)CCO1 ZINC001576598202 993363866 /nfs/dbraw/zinc/36/38/66/993363866.db2.gz MQTIPJUNQRBBRM-DGAVXFQQSA-N 2 0 238.375 1.343 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+]C[C@]2(C)CCCCO2)CC[NH2+]1 ZINC001576599385 993363953 /nfs/dbraw/zinc/36/39/53/993363953.db2.gz UMEQLHYSSFRECF-MCIONIFRSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[NH2+]CC2)[C@H](C)O1 ZINC001576622896 993374016 /nfs/dbraw/zinc/37/40/16/993374016.db2.gz HVLZRJFJBIMETI-RQJABVFESA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1[C@H](C)CC(O)C[C@H]1C ZINC001576623978 993374342 /nfs/dbraw/zinc/37/43/42/993374342.db2.gz NPLGFWMGAQKHOB-KKOKHZNYSA-N 2 0 226.364 1.076 20 0 BDADRP C[C@@H]1CC[C@H](N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)C[NH2+]1 ZINC001576665876 993385673 /nfs/dbraw/zinc/38/56/73/993385673.db2.gz HUBWMKWISOSCRF-IKOXMDCHSA-N 2 0 237.391 1.057 20 0 BDADRP COc1cccc(CN2CCCC[C@@H](C[NH3+])C2)n1 ZINC000381345022 993388249 /nfs/dbraw/zinc/38/82/49/993388249.db2.gz LJMVNBHYFPQTJQ-LBPRGKRZSA-N 2 0 249.358 1.651 20 0 BDADRP C[C@@H]1CCC[C@@H]1C[NH2+]Cc1c(C[NH3+])cnn1C ZINC001576681810 993393544 /nfs/dbraw/zinc/39/35/44/993393544.db2.gz OCEJEORXRKYEFM-GHMZBOCLSA-N 2 0 236.363 1.405 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C[C@H]1O ZINC001576729152 993404508 /nfs/dbraw/zinc/40/45/08/993404508.db2.gz DUTDNXJLDQDUFZ-JHJVBQTASA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@]2(C)CCC[NH2+]C2)C[C@H]1O ZINC001576729685 993407476 /nfs/dbraw/zinc/40/74/76/993407476.db2.gz VZVYCZBQXICMQA-JHJVBQTASA-N 2 0 226.364 1.079 20 0 BDADRP C[C@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1O ZINC001576729538 993409012 /nfs/dbraw/zinc/40/90/12/993409012.db2.gz QEDCICAIHADYSM-WYTNZGFTSA-N 2 0 238.375 1.220 20 0 BDADRP C[C@H]1C[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)CCC1=O ZINC001576807227 993427279 /nfs/dbraw/zinc/42/72/79/993427279.db2.gz OIVUIRIFILALMQ-GARJFASQSA-N 2 0 210.321 1.025 20 0 BDADRP CC(C)[N@@H+](C)C[C@H](C)N[C@H]1C[NH2+]C[C@H](C)C1 ZINC001576849069 993432321 /nfs/dbraw/zinc/43/23/21/993432321.db2.gz BCXWWMUHIIJHLE-FRRDWIJNSA-N 2 0 227.396 1.303 20 0 BDADRP C[C@H]1COCC[C@@H]1[NH2+]C1CC2(CC([NH3+])C2)C1 ZINC001576853128 993435315 /nfs/dbraw/zinc/43/53/15/993435315.db2.gz HETOEPBBLPDKCP-QIJQCGIDSA-N 2 0 224.348 1.271 20 0 BDADRP C[C@H]1Cc2cc(CN[C@@H]3[C@H]4C[NH2+]C[C@H]43)ccc2O1 ZINC001576861746 993438476 /nfs/dbraw/zinc/43/84/76/993438476.db2.gz GLHLYXCTBWYMPJ-GCVYGYKWSA-N 2 0 244.338 1.317 20 0 BDADRP C[C@@H]1CSC[C@H]1[NH2+]C[C@@H]1CCCC[NH2+]C1 ZINC001576861229 993438826 /nfs/dbraw/zinc/43/88/26/993438826.db2.gz PINHYFZMFWMHJV-IJLUTSLNSA-N 2 0 228.405 1.717 20 0 BDADRP C/C=C\C[C@H](CO)[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC001576914766 993448958 /nfs/dbraw/zinc/44/89/58/993448958.db2.gz NGOIACOOZCYFJS-RTGHZJGBSA-N 2 0 212.337 1.029 20 0 BDADRP CCC(C)(C)[C@H](C)[NH2+]C[C@H]1CCC2(C[NH2+]C2)O1 ZINC001576941382 993460322 /nfs/dbraw/zinc/46/03/22/993460322.db2.gz HKEMNIYZSKPEDD-NWDGAFQWSA-N 2 0 240.391 1.922 20 0 BDADRP CC[C@@](C)(O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001576959317 993466616 /nfs/dbraw/zinc/46/66/16/993466616.db2.gz FFHIQPYUUVOWPX-CHWSQXEVSA-N 2 0 226.364 1.223 20 0 BDADRP CC[C@H](C)C[C@H](CO)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC001576969360 993473768 /nfs/dbraw/zinc/47/37/68/993473768.db2.gz BJFUVWAGQMVUBF-QNWHQSFQSA-N 2 0 240.391 1.643 20 0 BDADRP CC[C@@H](C)CNc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001576991575 993482139 /nfs/dbraw/zinc/48/21/39/993482139.db2.gz GQJCQAOVWNGCDZ-GFCCVEGCSA-N 2 0 248.374 1.949 20 0 BDADRP CCC(CC)(C[NH3+])C[N@H+](C)CCCC(=O)NC ZINC001577051759 993489700 /nfs/dbraw/zinc/48/97/00/993489700.db2.gz ZMZUIDPCFUPXKT-UHFFFAOYSA-N 2 0 243.395 1.210 20 0 BDADRP CCC(CC)(C[NH3+])NC(=O)[C@H](C)CC[NH+](C)C ZINC001577052548 993491279 /nfs/dbraw/zinc/49/12/79/993491279.db2.gz WQNKMUQIKGLAKN-LLVKDONJSA-N 2 0 243.395 1.208 20 0 BDADRP CC(C)C[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1CC1 ZINC000383591682 993503251 /nfs/dbraw/zinc/50/32/51/993503251.db2.gz OADLTHNJAAGVCQ-AWEZNQCLSA-N 2 0 242.407 1.808 20 0 BDADRP CC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC001577096594 993504190 /nfs/dbraw/zinc/50/41/90/993504190.db2.gz RXKGXGBFVSOSFK-QLFBSQMISA-N 2 0 248.370 1.178 20 0 BDADRP CC[C@@H](Cc1ccccc1)[NH2+]C[C@]1(O)CC[NH2+]C1 ZINC001577096507 993504201 /nfs/dbraw/zinc/50/42/01/993504201.db2.gz PDYIBXPTLVVEKW-GJZGRUSLSA-N 2 0 248.370 1.322 20 0 BDADRP C[C@H]1CN(C2CC[NH+](C3CC3)CC2)C[C@H](C)[NH2+]1 ZINC000383784867 993517375 /nfs/dbraw/zinc/51/73/75/993517375.db2.gz PUYWOELVPZBHAW-RYUDHWBXSA-N 2 0 237.391 1.295 20 0 BDADRP Cc1nc2c(n1[C@H]1CCC[N@@H+](C)C1)C[NH2+]CC2 ZINC000383941435 993532649 /nfs/dbraw/zinc/53/26/49/993532649.db2.gz VFGJAEBAMIHEKR-NSHDSACASA-N 2 0 234.347 1.104 20 0 BDADRP CC[C@H]([NH2+]CC(C)(C)C[NH3+])[C@H](O)C(C)C ZINC001577176309 993532821 /nfs/dbraw/zinc/53/28/21/993532821.db2.gz YSJXYGQATFYHFL-WDEREUQCSA-N 2 0 216.369 1.356 20 0 BDADRP CC[C@@H]([NH2+]CC(C)(C)C[NH3+])[C@H](O)C(C)C ZINC001577176306 993534191 /nfs/dbraw/zinc/53/41/91/993534191.db2.gz YSJXYGQATFYHFL-GHMZBOCLSA-N 2 0 216.369 1.356 20 0 BDADRP CC[C@H](O)C[N@@H+]1C[C@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001577182820 993537946 /nfs/dbraw/zinc/53/79/46/993537946.db2.gz SZDBUPONQGQPQA-FRRDWIJNSA-N 2 0 226.364 1.208 20 0 BDADRP CC[C@]1(C)CCC[C@@H]1[NH2+]C[C@@]1(O)CC[NH2+]C1 ZINC001577205591 993544671 /nfs/dbraw/zinc/54/46/71/993544671.db2.gz UAXHUIZASAEDKI-YNEHKIRRSA-N 2 0 226.364 1.269 20 0 BDADRP CC[C@]1(C)CCC[C@@H]1[NH2+]C[C@]1(O)CC[NH2+]C1 ZINC001577205590 993546164 /nfs/dbraw/zinc/54/61/64/993546164.db2.gz UAXHUIZASAEDKI-XQQFMLRXSA-N 2 0 226.364 1.269 20 0 BDADRP CC[C@@]1(CO)CCC[N@H+](CCCCCC[NH3+])C1 ZINC001577221175 993549135 /nfs/dbraw/zinc/54/91/35/993549135.db2.gz YDWJTRKILVDPEM-CQSZACIVSA-N 2 0 242.407 1.990 20 0 BDADRP CC[C@]1(CO)CCC[N@H+](CCCCCC[NH3+])C1 ZINC001577221174 993550991 /nfs/dbraw/zinc/55/09/91/993550991.db2.gz YDWJTRKILVDPEM-AWEZNQCLSA-N 2 0 242.407 1.990 20 0 BDADRP CC[C@@H]1C[C@@H](C[NH2+][C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC001577240809 993553549 /nfs/dbraw/zinc/55/35/49/993553549.db2.gz NDEVMAFQERYNKY-NNYUYHANSA-N 2 0 212.337 1.271 20 0 BDADRP CC[C@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC001577241140 993557127 /nfs/dbraw/zinc/55/71/27/993557127.db2.gz QHKWTWJUQUWEFN-NOOOWODRSA-N 2 0 212.337 1.142 20 0 BDADRP CC[C@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)CO1 ZINC001577240362 993557683 /nfs/dbraw/zinc/55/76/83/993557683.db2.gz FUUXYMURMQKHBL-USZNOCQGSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@H](CN(CC[NH3+])CC[NH3+])c1ccccc1 ZINC000384342236 993575102 /nfs/dbraw/zinc/57/51/02/993575102.db2.gz XWGPRKWADZXJEL-GFCCVEGCSA-N 2 0 221.348 1.010 20 0 BDADRP CCC[C@@H](CCO)[NH2+]C[C@H]([NH3+])CC(F)F ZINC001577358091 993613254 /nfs/dbraw/zinc/61/32/54/993613254.db2.gz PFHZMUICUSLYDA-BDAKNGLRSA-N 2 0 224.295 1.110 20 0 BDADRP CCC[C@@H]([NH2+]C[C@H](O)CC[NH3+])C1CCC1 ZINC001577365182 993614627 /nfs/dbraw/zinc/61/46/27/993614627.db2.gz AKCBVAABOMFWEH-VXGBXAGGSA-N 2 0 214.353 1.255 20 0 BDADRP CCC[C@@]1(C)CCC[N@H+](C[C@H](O)C[NH2+]C)C1 ZINC001577371655 993628063 /nfs/dbraw/zinc/62/80/63/993628063.db2.gz GCBUIPSIXSGSBR-OLZOCXBDSA-N 2 0 228.380 1.469 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@H](C)CC[NH+](C)C ZINC001577390372 993638617 /nfs/dbraw/zinc/63/86/17/993638617.db2.gz LFICJRNYMHZZFS-VXGBXAGGSA-N 2 0 243.395 1.208 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]([N@H+](C)CC)C1 ZINC001577401008 993645531 /nfs/dbraw/zinc/64/55/31/993645531.db2.gz UCGXZDSPRSZEHD-NEPJUHHUSA-N 2 0 241.379 1.057 20 0 BDADRP CCCCN(C)C[C@@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC001577445147 993663080 /nfs/dbraw/zinc/66/30/80/993663080.db2.gz JQPSJWYJVKUXSS-RDBSUJKOSA-N 2 0 241.423 1.824 20 0 BDADRP CCCCN1C[C@H](C)O[C@]2(CC[NH2+]C2)C1 ZINC001577458045 993667325 /nfs/dbraw/zinc/66/73/25/993667325.db2.gz QBYIERUOFIJBIQ-RYUDHWBXSA-N 2 0 212.337 1.239 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001577510511 993675230 /nfs/dbraw/zinc/67/52/30/993675230.db2.gz QHGJQGFXTNTCLA-IHRRRGAJSA-N 2 0 241.423 1.837 20 0 BDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@@H]([NH3+])C(C)C ZINC001577510198 993676796 /nfs/dbraw/zinc/67/67/96/993676796.db2.gz FEBYHMZTSOSGAK-NEPJUHHUSA-N 2 0 243.395 1.206 20 0 BDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@H]([NH3+])C(C)C ZINC001577510201 993677639 /nfs/dbraw/zinc/67/76/39/993677639.db2.gz FEBYHMZTSOSGAK-VXGBXAGGSA-N 2 0 243.395 1.206 20 0 BDADRP CCOC(=O)[C@H](C)C[NH2+]C1CC[NH+](CC)CC1 ZINC000387203469 993706158 /nfs/dbraw/zinc/70/61/58/993706158.db2.gz HZCLWUUGHMKZTG-LLVKDONJSA-N 2 0 242.363 1.260 20 0 BDADRP CCN(C)[C@H]1CC[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001577655146 993706878 /nfs/dbraw/zinc/70/68/78/993706878.db2.gz SLWBYHGCRTXMMH-XQQFMLRXSA-N 2 0 225.380 1.140 20 0 BDADRP CC[N@H+](C)[C@@H]1CCN(C[C@H](C[NH3+])C(C)C)C1 ZINC001577654371 993710573 /nfs/dbraw/zinc/71/05/73/993710573.db2.gz BURBCMQXETWICV-QWHCGFSZSA-N 2 0 227.396 1.243 20 0 BDADRP C[NH+](C)CCCC[NH2+]C[C@H](O)C(C)(C)C ZINC000389371334 993748038 /nfs/dbraw/zinc/74/80/38/993748038.db2.gz LNCXHUJQHIMJCO-NSHDSACASA-N 2 0 216.369 1.325 20 0 BDADRP [NH3+]CCSCC[NH2+]C1CCCCCC1 ZINC000389756105 993764456 /nfs/dbraw/zinc/76/44/56/993764456.db2.gz QDVYJKIVOXXGII-UHFFFAOYSA-N 2 0 216.394 1.991 20 0 BDADRP CCC(CC)[N@H+](C)C[C@@H](O)C[NH+](CC)CC ZINC000390459009 993786380 /nfs/dbraw/zinc/78/63/80/993786380.db2.gz BGGVNDCNZDVIOE-CYBMUJFWSA-N 2 0 230.396 1.810 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@]2(C)CCOC2)CC1 ZINC000390674252 993798910 /nfs/dbraw/zinc/79/89/10/993798910.db2.gz WRZHEQHZGWWXHS-WXRRBKDZSA-N 2 0 226.364 1.628 20 0 BDADRP CC(C)O[C@H]1CC[N@@H+]([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000701658426 993897033 /nfs/dbraw/zinc/89/70/33/993897033.db2.gz RXAVVATYAOYZHH-AGIUHOORSA-N 2 0 226.364 1.626 20 0 BDADRP CCO[C@@H]1CCN([C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000701663802 993900032 /nfs/dbraw/zinc/90/00/32/993900032.db2.gz QRNQMOGMEDSHHA-QJPTWQEYSA-N 2 0 212.337 1.238 20 0 BDADRP CCCO[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000701718149 993904785 /nfs/dbraw/zinc/90/47/85/993904785.db2.gz DYYSIUSOYBTXDH-CYBMUJFWSA-N 2 0 226.364 1.487 20 0 BDADRP CC(C)(O)C[NH2+]CCC[NH+]1CCCCC1 ZINC000393622709 993971913 /nfs/dbraw/zinc/97/19/13/993971913.db2.gz YJUBPWAXBNCBTI-UHFFFAOYSA-N 2 0 214.353 1.223 20 0 BDADRP CC(C)[NH+]1CCC(N2CC[C@@H]([NH3+])[C@H]2C)CC1 ZINC000393821199 994009401 /nfs/dbraw/zinc/00/94/01/994009401.db2.gz XESSWGDVCBBQBK-DGCLKSJQSA-N 2 0 225.380 1.281 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCCC(F)(F)CC1 ZINC000702798017 994047350 /nfs/dbraw/zinc/04/73/50/994047350.db2.gz PSULOVPQYYJGIQ-UHFFFAOYSA-N 2 0 206.280 1.847 20 0 BDADRP C[C@H]1C[N@H+](C[C@@H]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000724416768 994065921 /nfs/dbraw/zinc/06/59/21/994065921.db2.gz FSUDNMPIUBBNSO-PDWCTOEPSA-N 2 0 240.391 1.717 20 0 BDADRP CCC[N@H+](C)CCCN(C)C(=O)CC[NH+](C)C ZINC001280857863 994136905 /nfs/dbraw/zinc/13/69/05/994136905.db2.gz WNQIGVWSPFWUAI-UHFFFAOYSA-N 2 0 243.395 1.128 20 0 BDADRP CC(C)C[NH2+][C@@H](C)CCNC(=O)CC[NH+](C)C ZINC001281745021 994179332 /nfs/dbraw/zinc/17/93/32/994179332.db2.gz OYYZFXWPPGHPJZ-LBPRGKRZSA-N 2 0 243.395 1.079 20 0 BDADRP CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001283676737 994289304 /nfs/dbraw/zinc/28/93/04/994289304.db2.gz DGTBGWDKBZOZDN-RYUDHWBXSA-N 2 0 243.395 1.173 20 0 BDADRP CCC[NH2+][C@H](C)CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001283676730 994289972 /nfs/dbraw/zinc/28/99/72/994289972.db2.gz DGTBGWDKBZOZDN-NEPJUHHUSA-N 2 0 243.395 1.173 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccccn2)C1 ZINC001336738979 995090956 /nfs/dbraw/zinc/09/09/56/995090956.db2.gz KGHIFOTVPHCSAQ-OCCSQVGLSA-N 2 0 249.358 1.046 20 0 BDADRP C[N@@H+]1CCCC[C@H](CNc2nccnc2C[NH3+])C1 ZINC001337238183 995153693 /nfs/dbraw/zinc/15/36/93/995153693.db2.gz WGUMWCMPHVELFK-LLVKDONJSA-N 2 0 249.362 1.079 20 0 BDADRP C[C@H]1C[NH+](CCC2CC[NH2+]CC2)C[C@@H]1C ZINC000086010233 136211825 /nfs/dbraw/zinc/21/18/25/136211825.db2.gz XWSBOEJYIXKJMF-RYUDHWBXSA-N 2 0 210.365 1.964 20 0 BDADRP CCC(CC)(C[NH3+])NC(=O)c1ccc(C[NH3+])cc1 ZINC000262436820 168323778 /nfs/dbraw/zinc/32/37/78/168323778.db2.gz LTQZIKQDOJFZDP-UHFFFAOYSA-N 2 0 249.358 1.393 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000300976294 349486679 /nfs/dbraw/zinc/48/66/79/349486679.db2.gz HQSIIRQEPNCFOX-KKOKHZNYSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@@H]([NH2+]Cc1ccc2c[nH+]cn2c1)[C@@H]1CCOC1 ZINC000297517929 398145213 /nfs/dbraw/zinc/14/52/13/398145213.db2.gz MVQMVYHLBDRBFR-DGCLKSJQSA-N 2 0 245.326 1.849 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCC1(O)CCC1 ZINC000643488737 398146253 /nfs/dbraw/zinc/14/62/53/398146253.db2.gz LIGBMHVVOMMVQQ-VXGBXAGGSA-N 2 0 226.364 1.541 20 0 BDADRP C[C@@H](O)[C@H](C)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000518519349 398146663 /nfs/dbraw/zinc/14/66/63/398146663.db2.gz RHGYTMJCKQGJMK-VHSXEESVSA-N 2 0 219.288 1.193 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H](O)C2CCCCC2)C1 ZINC000572899627 398148334 /nfs/dbraw/zinc/14/83/34/398148334.db2.gz FYAHORDHFBIJNY-MCIONIFRSA-N 2 0 240.391 1.787 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@@H](N2CCCC2)C1 ZINC000062980260 349503526 /nfs/dbraw/zinc/50/35/26/349503526.db2.gz CHQPMFGHTGKRET-CQSZACIVSA-N 2 0 237.391 1.156 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415012806 398153836 /nfs/dbraw/zinc/15/38/36/398153836.db2.gz XMWLKSSOHSSUQV-MQYQWHSLSA-N 3 0 239.407 1.624 20 0 BDADRP CC[C@@H]([NH2+]C[C@H](C)SC)[C@@H]1CCC[NH2+]1 ZINC000422941851 398159595 /nfs/dbraw/zinc/15/95/95/398159595.db2.gz VSMPZXDJECHMBE-AXFHLTTASA-N 2 0 216.394 1.858 20 0 BDADRP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422907814 398158062 /nfs/dbraw/zinc/15/80/62/398158062.db2.gz XRTCYNWKPZAHPO-VOAKCMCISA-N 2 0 226.364 1.674 20 0 BDADRP Cc1ccc(CN(C)C2CC[NH2+]CC2)cn1 ZINC000335884691 136214936 /nfs/dbraw/zinc/21/49/36/136214936.db2.gz QZPVYYYAALJIGX-UHFFFAOYSA-N 2 0 219.332 1.574 20 0 BDADRP COC(=O)CC1(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000424292135 398180526 /nfs/dbraw/zinc/18/05/26/398180526.db2.gz OFHOZZCDTMRCKG-GHMZBOCLSA-N 2 0 240.347 1.189 20 0 BDADRP C[NH2+]CCC[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424291354 398180850 /nfs/dbraw/zinc/18/08/50/398180850.db2.gz NPKUSDJMMKXRGV-LBPRGKRZSA-N 3 0 225.380 1.060 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCOCC1CCCC1 ZINC000313278286 398182229 /nfs/dbraw/zinc/18/22/29/398182229.db2.gz FQGTXZIBHKHEQI-ZIAGYGMSSA-N 2 0 240.391 1.910 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCc3cn[nH]c3)C[C@@H]21 ZINC000379746315 398163876 /nfs/dbraw/zinc/16/38/76/398163876.db2.gz BWXGSPNMMFCIMZ-FRRDWIJNSA-N 2 0 234.347 1.011 20 0 BDADRP Cc1cc(N[C@@H]2CCC[N@H+](C)[C@H]2C)cc[nH+]1 ZINC000336745731 398186045 /nfs/dbraw/zinc/18/60/45/398186045.db2.gz QWEVWPKSGOUKLH-WCQYABFASA-N 2 0 219.332 1.707 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)CO)CC[N@@H+]1C ZINC000385933739 398192465 /nfs/dbraw/zinc/19/24/65/398192465.db2.gz VEKVLMDVKBALBL-NEPJUHHUSA-N 2 0 228.380 1.467 20 0 BDADRP COC[C@@H](C)C[NH2+][C@H]1CCCC[NH2+]C1 ZINC000576250559 365538056 /nfs/dbraw/zinc/53/80/56/365538056.db2.gz ATCNTIJUZNNMDN-QWRGUYRKSA-N 2 0 200.326 1.001 20 0 BDADRP Cc1cc(C)n(CC[NH2+][C@](C)(C[NH3+])C(C)C)n1 ZINC000649410680 398209318 /nfs/dbraw/zinc/20/93/18/398209318.db2.gz MVFPWGRDBTWPIM-CYBMUJFWSA-N 2 0 238.379 1.463 20 0 BDADRP C[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)C(C)(C)C ZINC000162812702 538924710 /nfs/dbraw/zinc/92/47/10/538924710.db2.gz RSOAFASGPZWLDU-OLZOCXBDSA-N 2 0 242.407 1.715 20 0 BDADRP C[C@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])CC(F)F ZINC000647800624 398207199 /nfs/dbraw/zinc/20/71/99/398207199.db2.gz HZUINWMYZMWCCR-GUBZILKMSA-N 2 0 220.307 1.995 20 0 BDADRP C[C@@H]1OCC[C@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446885433 201700681 /nfs/dbraw/zinc/70/06/81/201700681.db2.gz WNHCSBFRDAWXNU-SMDDNHRTSA-N 2 0 238.375 1.628 20 0 BDADRP [NH3+]CC[C@H]1CCCC[N@@H+]1C[C@@H]1CCCOC1 ZINC000069720630 398213534 /nfs/dbraw/zinc/21/35/34/398213534.db2.gz BIPLKOCMJCGGSZ-QWHCGFSZSA-N 2 0 226.364 1.616 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCS[C@H]1C ZINC000647803989 398214542 /nfs/dbraw/zinc/21/45/42/398214542.db2.gz GZZHWQWQBMSZBN-NGDQXYMTSA-N 2 0 244.404 1.222 20 0 BDADRP CC[N@@H+]1CC[C@H](N(C)C[C@@H]2CC[NH2+]C2)C[C@@H]1C ZINC000649413766 398211997 /nfs/dbraw/zinc/21/19/97/398211997.db2.gz CIFQNMYLGDLRMB-MJBXVCDLSA-N 2 0 239.407 1.401 20 0 BDADRP CC[N@@H+]1CC[C@H](N(C)C[C@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000649413773 398212041 /nfs/dbraw/zinc/21/20/41/398212041.db2.gz CNNHBELQXNEWFO-IHRRRGAJSA-N 2 0 239.407 1.258 20 0 BDADRP Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000649414343 398212849 /nfs/dbraw/zinc/21/28/49/398212849.db2.gz UIUCTOAAUVBHHG-OCCSQVGLSA-N 2 0 248.374 1.475 20 0 BDADRP Cc1cc(NC[C@H]2CCC[NH2+]C2)cc[nH+]1 ZINC000107198579 178170173 /nfs/dbraw/zinc/17/01/73/178170173.db2.gz FQPQQAXCJVPZKB-NSHDSACASA-N 2 0 205.305 1.802 20 0 BDADRP Cc1cc(C)n(CC[N@@H+]2CC[C@](C)(C[NH3+])C2)n1 ZINC000386792046 398220491 /nfs/dbraw/zinc/22/04/91/398220491.db2.gz OLMNVACCDIRANX-CYBMUJFWSA-N 2 0 236.363 1.171 20 0 BDADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000070169315 398221656 /nfs/dbraw/zinc/22/16/56/398221656.db2.gz KABUMQJRLSROOT-GFCCVEGCSA-N 2 0 234.343 1.953 20 0 BDADRP CC[C@H](C)C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000020200503 538931043 /nfs/dbraw/zinc/93/10/43/538931043.db2.gz MOKRTYKLZMNCFE-ZDUSSCGKSA-N 2 0 241.423 1.648 20 0 BDADRP CC[C@@H](C)C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000020200502 538931057 /nfs/dbraw/zinc/93/10/57/538931057.db2.gz MOKRTYKLZMNCFE-CYBMUJFWSA-N 2 0 241.423 1.648 20 0 BDADRP CC[C@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000020200448 538930827 /nfs/dbraw/zinc/93/08/27/538930827.db2.gz YWGJSIVGLDZWJQ-LBPRGKRZSA-N 2 0 227.396 1.401 20 0 BDADRP C[C@H]([NH3+])CC(=O)NCCC[NH+]1CCCCCC1 ZINC000430837510 398232306 /nfs/dbraw/zinc/23/23/06/398232306.db2.gz HRUGMAGTDIOZDZ-LBPRGKRZSA-N 2 0 241.379 1.106 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000164543713 538933466 /nfs/dbraw/zinc/93/34/66/538933466.db2.gz SZAUHUWMYURTBG-SRVKXCTJSA-N 2 0 228.380 1.466 20 0 BDADRP CCC[C@H]([NH3+])C(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000092630157 398235828 /nfs/dbraw/zinc/23/58/28/398235828.db2.gz WIMMSFWAPMHUPL-RYUDHWBXSA-N 2 0 241.379 1.057 20 0 BDADRP CC[N@H+](CCOCC[NH3+])[C@H](C)C(C)C ZINC000320410767 398241648 /nfs/dbraw/zinc/24/16/48/398241648.db2.gz RYRJOABBMFQLCE-LLVKDONJSA-N 2 0 202.342 1.328 20 0 BDADRP CC[N@H+](CCOCC[NH3+])[C@@H](C)C(C)C ZINC000320410770 398241783 /nfs/dbraw/zinc/24/17/83/398241783.db2.gz RYRJOABBMFQLCE-NSHDSACASA-N 2 0 202.342 1.328 20 0 BDADRP Cc1ccc2ncc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])n2c1 ZINC000576518316 365616365 /nfs/dbraw/zinc/61/63/65/365616365.db2.gz RROOYLHLVFBFRO-NEPJUHHUSA-N 2 0 246.358 1.858 20 0 BDADRP C([NH2+][C@@H]1CC[C@H]1C1CC1)C1CC[NH2+]CC1 ZINC000576626520 365631663 /nfs/dbraw/zinc/63/16/63/365631663.db2.gz JQXYSURRSOMSLM-QWHCGFSZSA-N 2 0 208.349 1.764 20 0 BDADRP CC[C@H](C)[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)OC ZINC000381273170 398249601 /nfs/dbraw/zinc/24/96/01/398249601.db2.gz IJHMPWCEXWXBQZ-LOWDOPEQSA-N 2 0 228.380 1.907 20 0 BDADRP CC(C)N(C)CC[NH2+]CCC1CCOCC1 ZINC000381830379 398254984 /nfs/dbraw/zinc/25/49/84/398254984.db2.gz NKUMOSGKXRHPAY-UHFFFAOYSA-N 2 0 228.380 1.733 20 0 BDADRP C[C@@H]1CC[C@@H](O)C[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000647997418 398255348 /nfs/dbraw/zinc/25/53/48/398255348.db2.gz BLKFPIFAXHSUGM-JHJVBQTASA-N 2 0 226.364 1.221 20 0 BDADRP Cc1nccn1C[C@H]1CCCN1CC(F)F ZINC000178317976 538952708 /nfs/dbraw/zinc/95/27/08/538952708.db2.gz GNDHRSWGBWMUSV-SNVBAGLBSA-N 2 0 229.274 1.921 20 0 BDADRP COCC[NH2+]C1CC[NH+](C[C@H]2C[C@@H]2C)CC1 ZINC000565060448 323009492 /nfs/dbraw/zinc/00/94/92/323009492.db2.gz JHQKIPMFVMBBNH-NWDGAFQWSA-N 2 0 226.364 1.343 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](O)C2)CC1 ZINC000037164680 538961570 /nfs/dbraw/zinc/96/15/70/538961570.db2.gz HAXIJNYYROTBKB-ZIAGYGMSSA-N 2 0 240.391 1.752 20 0 BDADRP COC[C@@H](C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000037209124 538962048 /nfs/dbraw/zinc/96/20/48/538962048.db2.gz YEHJMYFFDBPKJQ-GHMZBOCLSA-N 2 0 214.353 1.341 20 0 BDADRP CN(C[C@H](O)C[NH2+]CC1=CCCCC1)C1CC1 ZINC000379757556 361868165 /nfs/dbraw/zinc/86/81/65/361868165.db2.gz ZECGCELGGUGKFJ-CQSZACIVSA-N 2 0 238.375 1.532 20 0 BDADRP Cc1nccnc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000631826123 398279899 /nfs/dbraw/zinc/27/98/99/398279899.db2.gz FOAHZBUPFMSVMT-UHFFFAOYSA-N 2 0 246.358 1.361 20 0 BDADRP Cc1n[nH]cc1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000038011317 538964865 /nfs/dbraw/zinc/96/48/65/538964865.db2.gz RFWLGIRCSNUTLM-JTQLQIEISA-N 2 0 236.363 1.538 20 0 BDADRP CCC(CC)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000110758009 168387987 /nfs/dbraw/zinc/38/79/87/168387987.db2.gz UGCDYCAQWBAMDV-UHFFFAOYSA-N 2 0 241.423 1.791 20 0 BDADRP CC[N@H+](C)C[C@H](O)CN1CC(CC)(CC)C1 ZINC000309710177 342794314 /nfs/dbraw/zinc/79/43/14/342794314.db2.gz JQDWFAFZDZOKIL-LBPRGKRZSA-N 2 0 228.380 1.421 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)[C@H]1CCOC1 ZINC000166160798 398288196 /nfs/dbraw/zinc/28/81/96/398288196.db2.gz RZJHVOKIWDMQHS-IHRRRGAJSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]([NH2+]Cc1cc[nH]n1)C1CC[NH+](C)CC1 ZINC000041014955 538973841 /nfs/dbraw/zinc/97/38/41/538973841.db2.gz OODFARVKYIBBPK-SNVBAGLBSA-N 2 0 222.336 1.230 20 0 BDADRP Cn1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC000335634076 136241521 /nfs/dbraw/zinc/24/15/21/136241521.db2.gz MBAJEZLMRACDHQ-KBPBESRZSA-N 2 0 248.374 1.242 20 0 BDADRP CO[C@H]1CCC[C@H]([NH2+]CC2=CC[N@H+](C)CC2)C1 ZINC000392184292 539027900 /nfs/dbraw/zinc/02/79/00/539027900.db2.gz BTGSMQQEXPPXEV-KBPBESRZSA-N 2 0 238.375 1.796 20 0 BDADRP Cc1ccc(CN[C@@H]2CC[NH2+]C2)cc1F ZINC000335644674 136243569 /nfs/dbraw/zinc/24/35/69/136243569.db2.gz XCVBYUMEBCSUPP-LLVKDONJSA-N 2 0 208.280 1.586 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000300396541 259326894 /nfs/dbraw/zinc/32/68/94/259326894.db2.gz KIDRBXFJROLEMH-YNEHKIRRSA-N 2 0 228.380 1.643 20 0 BDADRP Cc1ccncc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000167235171 136244731 /nfs/dbraw/zinc/24/47/31/136244731.db2.gz YJKIAJQFVAAZSM-QWHCGFSZSA-N 2 0 219.332 1.750 20 0 BDADRP CC(C)C[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000232732092 342879388 /nfs/dbraw/zinc/87/93/88/342879388.db2.gz VJQPZHKYQKBGJW-UHFFFAOYSA-N 2 0 228.380 1.467 20 0 BDADRP Cc1ccncc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000167243901 136245024 /nfs/dbraw/zinc/24/50/24/136245024.db2.gz AEMMCIHIJDJJRO-WCQYABFASA-N 2 0 219.332 1.607 20 0 BDADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)CC[NH2+]C(C)C ZINC000131921439 342908291 /nfs/dbraw/zinc/90/82/91/342908291.db2.gz UOSJXSNLYPSPOT-ZDUSSCGKSA-N 2 0 243.395 1.254 20 0 BDADRP CC[C@]1(O)CC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000495259539 529441908 /nfs/dbraw/zinc/44/19/08/529441908.db2.gz APGXOXLCYNSNJG-KGLIPLIRSA-N 2 0 240.391 1.708 20 0 BDADRP CC(C)(O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918197 398335288 /nfs/dbraw/zinc/33/52/88/398335288.db2.gz PATZABMBWIVXPY-NEPJUHHUSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C2CCN(C3CC3)CC2)CO1 ZINC000335424774 398341351 /nfs/dbraw/zinc/34/13/51/398341351.db2.gz IMZBHIPUXYWQGA-CMPLNLGQSA-N 2 0 224.348 1.380 20 0 BDADRP CC(C)C[C@@H](C)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313354099 259334087 /nfs/dbraw/zinc/33/40/87/259334087.db2.gz QARRZMCEJUKDFR-OLZOCXBDSA-N 2 0 228.380 1.718 20 0 BDADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ncc[nH]1 ZINC000453391714 488190561 /nfs/dbraw/zinc/19/05/61/488190561.db2.gz DZSRNBWSOUUJKA-LLVKDONJSA-N 2 0 236.363 1.935 20 0 BDADRP CCC(CC)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313389019 259334415 /nfs/dbraw/zinc/33/44/15/259334415.db2.gz MCNBPFRRSOIPQN-LBPRGKRZSA-N 2 0 214.353 1.472 20 0 BDADRP C[C@@H](CCCC[NH3+])NC(=O)[C@H]1CCCCC[NH2+]1 ZINC000562809779 323031234 /nfs/dbraw/zinc/03/12/34/323031234.db2.gz KEIITDWKEHSWQE-NWDGAFQWSA-N 2 0 241.379 1.152 20 0 BDADRP CC[NH2+]Cc1ccccc1NC(=O)[C@@H](C)C[NH2+]C ZINC000237062181 343122353 /nfs/dbraw/zinc/12/23/53/343122353.db2.gz WBYBYLMXCIZSDS-NSHDSACASA-N 2 0 249.358 1.590 20 0 BDADRP C[C@H]1C[C@H](C[NH2+]Cc2ccc(C[NH3+])cc2)CC[NH2+]1 ZINC000576875325 365710497 /nfs/dbraw/zinc/71/04/97/365710497.db2.gz IRBKHWXJFQXZJS-SWLSCSKDSA-N 3 0 247.386 1.623 20 0 BDADRP CC[C@H](C)C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000133579102 136271851 /nfs/dbraw/zinc/27/18/51/136271851.db2.gz ATMXTRMCMWBSKV-ZDUSSCGKSA-N 2 0 241.423 1.648 20 0 BDADRP C[C@@H](C(=O)NCCCC[NH3+])[C@@H]([NH3+])c1ccccc1 ZINC000131715618 343184291 /nfs/dbraw/zinc/18/42/91/343184291.db2.gz WMJUDLLDUDTSIH-DGCLKSJQSA-N 2 0 249.358 1.178 20 0 BDADRP CC(C)[NH+](CCN[C@@H]1CCC[C@@H]([NH3+])C1)C(C)C ZINC000093209315 343151362 /nfs/dbraw/zinc/15/13/62/343151362.db2.gz BCICUEDTSHIFQF-ZIAGYGMSSA-N 2 0 241.423 1.965 20 0 BDADRP Cc1ncsc1CC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000133618353 343185326 /nfs/dbraw/zinc/18/53/26/343185326.db2.gz IDNHWHDNKHABDE-GXSJLCMTSA-N 2 0 239.388 1.806 20 0 BDADRP C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CCOC1 ZINC000159810752 343202865 /nfs/dbraw/zinc/20/28/65/343202865.db2.gz VKZKCAZMCBZNDK-OAHLLOKOSA-N 2 0 246.354 1.553 20 0 BDADRP C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@H]1CCOC1 ZINC000159810872 343203026 /nfs/dbraw/zinc/20/30/26/343203026.db2.gz VKZKCAZMCBZNDK-HNNXBMFYSA-N 2 0 246.354 1.553 20 0 BDADRP Cc1cnn(CC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000311235433 136275687 /nfs/dbraw/zinc/27/56/87/136275687.db2.gz VTHGMICUBANYLC-OKILXGFUSA-N 2 0 248.374 1.123 20 0 BDADRP C[NH+](C)C1(CN[C@@H]2CCC[C@@H]([NH3+])C2)CCCC1 ZINC000131963520 343187203 /nfs/dbraw/zinc/18/72/03/343187203.db2.gz JXJUWSPQXANJDK-CHWSQXEVSA-N 2 0 239.407 1.720 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCO[C@H]2C)C1 ZINC000134388834 343194255 /nfs/dbraw/zinc/19/42/55/343194255.db2.gz PEVNENPVNFGETM-RWMBFGLXSA-N 2 0 226.364 1.484 20 0 BDADRP CCC[NH+]1CCC(N(C)CCC[NH2+]C)CC1 ZINC000087472108 136281463 /nfs/dbraw/zinc/28/14/63/136281463.db2.gz GVVWDLUHFKVGKQ-UHFFFAOYSA-N 2 0 227.396 1.402 20 0 BDADRP CC(C)[C@H](O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000087538329 136281981 /nfs/dbraw/zinc/28/19/81/136281981.db2.gz TWTHFSCVRFFHOR-CYBMUJFWSA-N 2 0 228.380 1.277 20 0 BDADRP COCC[N@H+](CCCc1cncn1C)C1CC1 ZINC000569738788 323039301 /nfs/dbraw/zinc/03/93/01/323039301.db2.gz ZQAWXWMLCODNIJ-UHFFFAOYSA-N 2 0 237.347 1.464 20 0 BDADRP Cn1nccc1CC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000634688218 343246612 /nfs/dbraw/zinc/24/66/12/343246612.db2.gz LXTCJAZCUZWJPB-CQSZACIVSA-N 2 0 248.374 1.038 20 0 BDADRP C[NH2+]C[C@](C)(O)C[N@H+](C)C[C@@H](C)C(C)(C)C ZINC000634688262 343246653 /nfs/dbraw/zinc/24/66/53/343246653.db2.gz NHPGFJLJHNTELA-YPMHNXCESA-N 2 0 230.396 1.571 20 0 BDADRP [NH3+]C[C@@H]1CCN(C[C@H]2CC[NH2+]C2)c2ccccc21 ZINC000634688120 343247597 /nfs/dbraw/zinc/24/75/97/343247597.db2.gz IORPSSKMVDTWGT-STQMWFEESA-N 2 0 245.370 1.549 20 0 BDADRP C(CC1CC[NH2+]CC1)C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634688591 343249054 /nfs/dbraw/zinc/24/90/54/343249054.db2.gz XDTZKRFQRZHOJZ-OKILXGFUSA-N 2 0 238.375 1.344 20 0 BDADRP Cc1nccn1CCC[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000348754940 136297603 /nfs/dbraw/zinc/29/76/03/136297603.db2.gz DTPNKGQRFFTKLJ-DGCLKSJQSA-N 2 0 236.363 1.251 20 0 BDADRP Cc1nccn1CCC[NH+]1CCC(C[NH3+])CC1 ZINC000348755028 136297630 /nfs/dbraw/zinc/29/76/30/136297630.db2.gz DYHHXXVBSPNWGN-UHFFFAOYSA-N 2 0 236.363 1.252 20 0 BDADRP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000037042475 343331643 /nfs/dbraw/zinc/33/16/43/343331643.db2.gz VVKQVJFXUNTBFV-ZDUSSCGKSA-N 2 0 247.342 1.439 20 0 BDADRP CC[NH+](CC)Cc1cccc(NC(=O)C[NH3+])c1 ZINC000037042936 343331879 /nfs/dbraw/zinc/33/18/79/343331879.db2.gz MERFBFKLFLOJMS-UHFFFAOYSA-N 2 0 235.331 1.426 20 0 BDADRP CC[C@H](COC)[NH2+]C[C@@H]1CC[N@H+](CC)C1 ZINC000070624130 343335872 /nfs/dbraw/zinc/33/58/72/343335872.db2.gz MLBRZJPXVLNBRW-NWDGAFQWSA-N 2 0 214.353 1.343 20 0 BDADRP [NH3+]C1(C[NH2+]C2Cc3ccccc3C2)CCC1 ZINC000335649954 136304542 /nfs/dbraw/zinc/30/45/42/136304542.db2.gz RCCVRVAMAKAQDJ-UHFFFAOYSA-N 2 0 216.328 1.625 20 0 BDADRP CC(C)[C@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000335653839 136306206 /nfs/dbraw/zinc/30/62/06/136306206.db2.gz MTFIZQFXRBCFOY-LBPRGKRZSA-N 2 0 233.315 1.212 20 0 BDADRP Cc1ccc(CN[C@H]2CC[NH2+][C@@H](C)C2)nc1 ZINC000335641616 136308598 /nfs/dbraw/zinc/30/85/98/136308598.db2.gz URDMUCJGSNOPCF-RYUDHWBXSA-N 2 0 219.332 1.620 20 0 BDADRP C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)[C@@H]1CCOC1 ZINC000166319844 136344845 /nfs/dbraw/zinc/34/48/45/136344845.db2.gz RRQMOPBGBKSHET-BXUZGUMPSA-N 2 0 246.354 1.804 20 0 BDADRP C[N@@H+]1CCCC12CCN(C[C@@H]1CCOC1)CC2 ZINC000335737081 136350781 /nfs/dbraw/zinc/35/07/81/136350781.db2.gz QICJDYLGMCYZEV-ZDUSSCGKSA-N 2 0 238.375 1.583 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCC12CCOCC2 ZINC000367084765 136333202 /nfs/dbraw/zinc/33/32/02/136333202.db2.gz CCYIIQZODCFVRN-OLZOCXBDSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@H](O)[C@H](CC)[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400338070 529711955 /nfs/dbraw/zinc/71/19/55/529711955.db2.gz HYOCWSNXJRFILL-RHYQMDGZSA-N 2 0 214.353 1.124 20 0 BDADRP C[C@@H]1C[C@H]1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000349335240 136341984 /nfs/dbraw/zinc/34/19/84/136341984.db2.gz UIMYUCNJISLLNC-KGLIPLIRSA-N 2 0 239.407 1.212 20 0 BDADRP CC(C)OCC[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000082594543 343450767 /nfs/dbraw/zinc/45/07/67/343450767.db2.gz RZYGWWDZCNUSJS-LBPRGKRZSA-N 2 0 214.353 1.615 20 0 BDADRP C1C[C@H]2C[C@@H]([NH2+][C@@H]3CCCOC3)CC[N@@H+]2C1 ZINC000130215259 136372575 /nfs/dbraw/zinc/37/25/75/136372575.db2.gz VPEYVKXRBBRSTR-XQQFMLRXSA-N 2 0 224.348 1.382 20 0 BDADRP CC[C@@H]([NH3+])C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000152878743 343610491 /nfs/dbraw/zinc/61/04/91/343610491.db2.gz JXFCDRATGNKVQX-GFCCVEGCSA-N 2 0 243.395 1.349 20 0 BDADRP CC[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)OC ZINC000308588740 259366706 /nfs/dbraw/zinc/36/67/06/259366706.db2.gz UDPNAGMVFQRCMR-OUAUKWLOSA-N 2 0 200.326 1.271 20 0 BDADRP CCn1nccc1CC[N@@H+]1CCc2nc[nH]c2C1 ZINC000625437679 343739941 /nfs/dbraw/zinc/73/99/41/343739941.db2.gz SUTHBYBQTGHHNK-UHFFFAOYSA-N 2 0 245.330 1.227 20 0 BDADRP Cc1cc(N)cc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000576121879 343718660 /nfs/dbraw/zinc/71/86/60/343718660.db2.gz PGMRAFLDPGPYFV-JSGCOSHPSA-N 2 0 233.359 1.937 20 0 BDADRP Cc1cc(N)cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000576121880 343718889 /nfs/dbraw/zinc/71/88/89/343718889.db2.gz PGMRAFLDPGPYFV-OCCSQVGLSA-N 2 0 233.359 1.937 20 0 BDADRP C1CC([NH+]2CCC([NH2+][C@@H]3CCCOC3)CC2)C1 ZINC000336593389 537817290 /nfs/dbraw/zinc/81/72/90/537817290.db2.gz SWUDAWZDLVVLIL-CYBMUJFWSA-N 2 0 238.375 1.772 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CCN(Cc2cncc(Cl)c2)C1 ZINC000621775361 343898740 /nfs/dbraw/zinc/89/87/40/343898740.db2.gz MVIFKEXSHGSBRH-MWLCHTKSSA-N 2 0 239.750 1.904 20 0 BDADRP C[C@H](C[C@@H]1CCCO1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000577214582 343919592 /nfs/dbraw/zinc/91/95/92/343919592.db2.gz MWKWSTSLWVTUFI-SYQHCUMBSA-N 2 0 240.391 1.922 20 0 BDADRP CC[C@@H](C)[NH+]1CCC([NH2+]CCOC)CC1 ZINC000570689406 323067265 /nfs/dbraw/zinc/06/72/65/323067265.db2.gz MMMUIXZRMAFZPU-LLVKDONJSA-N 2 0 214.353 1.485 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)CC[NH2+]1 ZINC000622004226 344181751 /nfs/dbraw/zinc/18/17/51/344181751.db2.gz MCEAGRRZZKZLQH-SYQHCUMBSA-N 3 0 237.391 1.188 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCF ZINC000127015272 344186738 /nfs/dbraw/zinc/18/67/38/344186738.db2.gz DIQLJVSNTUDVEO-VWYCJHECSA-N 2 0 202.317 1.664 20 0 BDADRP C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000306572187 344278545 /nfs/dbraw/zinc/27/85/45/344278545.db2.gz HOKXRASAFOIQSB-YTWAJWBKSA-N 2 0 214.378 1.597 20 0 BDADRP COc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000093210562 344311759 /nfs/dbraw/zinc/31/17/59/344311759.db2.gz YUCVWQMZSVBDOI-NWDGAFQWSA-N 2 0 235.331 1.450 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000093215625 344312598 /nfs/dbraw/zinc/31/25/98/344312598.db2.gz LDTUMMJGFJDURF-KBPBESRZSA-N 3 0 239.407 1.578 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000133335253 344315270 /nfs/dbraw/zinc/31/52/70/344315270.db2.gz FLQBHKZYPWWNGM-WDEREUQCSA-N 2 0 214.353 1.341 20 0 BDADRP CC[NH2+]Cc1cccc(NC(=O)[C@H]([NH3+])CC)c1 ZINC000131645138 344318860 /nfs/dbraw/zinc/31/88/60/344318860.db2.gz UOCWBWWXVYHIQO-GFCCVEGCSA-N 2 0 235.331 1.472 20 0 BDADRP CC[NH2+]Cc1cccc(NC(=O)CC[NH3+])c1 ZINC000131640135 344318962 /nfs/dbraw/zinc/31/89/62/344318962.db2.gz NSEJAZCSGSQOFP-UHFFFAOYSA-N 2 0 221.304 1.083 20 0 BDADRP CC[NH2+]Cc1ccccc1NC(=O)[C@H](C)[NH3+] ZINC000131650166 344319060 /nfs/dbraw/zinc/31/90/60/344319060.db2.gz RAYARTMNRGUQBI-VIFPVBQESA-N 2 0 221.304 1.082 20 0 BDADRP C[NH2+]CCCN(C)Cc1ccncc1C ZINC000385085692 344320664 /nfs/dbraw/zinc/32/06/64/344320664.db2.gz ZZZFGWXHYGDILB-UHFFFAOYSA-N 2 0 207.321 1.431 20 0 BDADRP COC(=O)CCCC[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000600699735 344359788 /nfs/dbraw/zinc/35/97/88/344359788.db2.gz CQNIZDPWNRHACN-RYUDHWBXSA-N 2 0 242.363 1.389 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@H+](CCCCC(=O)OC)C1 ZINC000600700653 344359934 /nfs/dbraw/zinc/35/99/34/344359934.db2.gz DOCIJYCCAYWIQJ-GFCCVEGCSA-N 2 0 242.363 1.261 20 0 BDADRP COC(=O)CCCC[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000600707053 344360447 /nfs/dbraw/zinc/36/04/47/344360447.db2.gz XGPJKMLQHYBUQA-GFCCVEGCSA-N 2 0 244.379 1.635 20 0 BDADRP COC(=O)CCCC[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000600708725 344361003 /nfs/dbraw/zinc/36/10/03/344361003.db2.gz FNUOSYFHQNXUDQ-LLVKDONJSA-N 2 0 242.363 1.307 20 0 BDADRP COCC[C@H](C)[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000336764199 537844886 /nfs/dbraw/zinc/84/48/86/537844886.db2.gz MXVYOJWYMWYVAG-LBPRGKRZSA-N 2 0 228.380 1.874 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H](C)CCC[NH3+])CC1 ZINC000380974188 344462484 /nfs/dbraw/zinc/46/24/84/344462484.db2.gz GKPWTCDIYBHUNF-LBPRGKRZSA-N 3 0 227.396 1.435 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@H]1C[N@H+](C)C[C@H]1C ZINC000336778926 537852826 /nfs/dbraw/zinc/85/28/26/537852826.db2.gz MSBGPXVBTLHSSC-AGIUHOORSA-N 2 0 227.396 1.256 20 0 BDADRP C[C@@H]([NH2+]C[C@@]1(C)CCCO1)C1CC[NH+](C)CC1 ZINC000094797679 537851350 /nfs/dbraw/zinc/85/13/50/537851350.db2.gz HFKNWIFKBOASQX-TZMCWYRMSA-N 2 0 240.391 1.875 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000336778929 537851628 /nfs/dbraw/zinc/85/16/28/537851628.db2.gz MSBGPXVBTLHSSC-RWMBFGLXSA-N 2 0 227.396 1.256 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000228278143 347066106 /nfs/dbraw/zinc/06/61/06/347066106.db2.gz YWENNPNZTZGLSX-TUAOUCFPSA-N 2 0 214.353 1.255 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000449521619 344766693 /nfs/dbraw/zinc/76/66/93/344766693.db2.gz IZLQCRPEUYXUOL-XJFOESAGSA-N 2 0 238.375 1.770 20 0 BDADRP CC[NH+](CC)CCOC1CC[NH+](CC)CC1 ZINC000075007385 344767229 /nfs/dbraw/zinc/76/72/29/344767229.db2.gz DKIMRCXRSNRLHM-UHFFFAOYSA-N 2 0 228.380 1.829 20 0 BDADRP CC[C@@H](O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860140 344786181 /nfs/dbraw/zinc/78/61/81/344786181.db2.gz WRPDQJBPIOBNDP-QWHCGFSZSA-N 2 0 228.380 1.564 20 0 BDADRP Cc1c[nH]c(CN(C)[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000628163462 344866833 /nfs/dbraw/zinc/86/68/33/344866833.db2.gz DAICPHXCDSNDFO-GFCCVEGCSA-N 2 0 234.347 1.387 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@H]2C[C@@H](O)C2(C)C)CC1 ZINC000129223104 192079916 /nfs/dbraw/zinc/07/99/16/192079916.db2.gz SAMVTZULLWRYJN-QWHCGFSZSA-N 2 0 240.391 1.608 20 0 BDADRP COC(=O)CC[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000078804642 344907533 /nfs/dbraw/zinc/90/75/33/344907533.db2.gz OKLWFIGRKQBWBK-UHFFFAOYSA-N 2 0 242.363 1.354 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@@H]1CCSC1 ZINC000224621405 344957092 /nfs/dbraw/zinc/95/70/92/344957092.db2.gz GQOMWEAJSGZPQZ-VWYCJHECSA-N 2 0 214.378 1.551 20 0 BDADRP CC(C)CC[NH+]1CCC(CNC(N)=[NH2+])CC1 ZINC000079382852 344959572 /nfs/dbraw/zinc/95/95/72/344959572.db2.gz JMQDANNRELTZDK-UHFFFAOYSA-N 2 0 226.368 1.228 20 0 BDADRP c1[nH]nc2cccc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)c12 ZINC000628191542 344945756 /nfs/dbraw/zinc/94/57/56/344945756.db2.gz NYWCAPDFLXSNBA-TXEJJXNPSA-N 2 0 242.326 1.214 20 0 BDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)C1(C)CC1 ZINC000155079393 345063791 /nfs/dbraw/zinc/06/37/91/345063791.db2.gz CZCSJFGNJBMLFN-STQMWFEESA-N 2 0 239.407 1.401 20 0 BDADRP CC[C@@H](C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000155051783 345065206 /nfs/dbraw/zinc/06/52/06/345065206.db2.gz GARWQYZCTBVJCK-NEPJUHHUSA-N 2 0 213.369 1.010 20 0 BDADRP CC[C@H](C)[C@@H](C)[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000318834360 323083045 /nfs/dbraw/zinc/08/30/45/323083045.db2.gz AMCDKZHONGXYCH-XQQFMLRXSA-N 2 0 228.380 1.779 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@H]2CCSC2)CC1 ZINC000044515341 345103208 /nfs/dbraw/zinc/10/32/08/345103208.db2.gz FXQSBMYUIGEFGB-NSHDSACASA-N 2 0 214.378 1.423 20 0 BDADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC12CC(C1)C[NH2+]2 ZINC000634993346 345189556 /nfs/dbraw/zinc/18/95/56/345189556.db2.gz RHNZLXNMVUBQFT-FUUBYGMNSA-N 2 0 249.402 1.297 20 0 BDADRP C([C@H]1CCN(CC23CC(C2)C[NH2+]3)C1)[NH+]1CCCC1 ZINC000634993340 345189894 /nfs/dbraw/zinc/18/98/94/345189894.db2.gz RGORMKIRZQSGIG-WLYUNCDWSA-N 2 0 249.402 1.156 20 0 BDADRP CC[C@@H]1CN(C[C@H](C[NH3+])C(C)C)CC[C@@H]1[NH3+] ZINC000634990852 345173221 /nfs/dbraw/zinc/17/32/21/345173221.db2.gz FXEHWSQIOOMNSO-AGIUHOORSA-N 2 0 227.396 1.277 20 0 BDADRP C[NH2+]CC1CC[NH+](C[C@@H](C[NH3+])C(C)C)CC1 ZINC000634990977 345174019 /nfs/dbraw/zinc/17/40/19/345174019.db2.gz KCAULFXCHRRLAD-CYBMUJFWSA-N 3 0 227.396 1.149 20 0 BDADRP CC(C)C[NH+]1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634991782 345178654 /nfs/dbraw/zinc/17/86/54/345178654.db2.gz RIHBPQQIAGEZIQ-UHFFFAOYSA-N 2 0 237.391 1.012 20 0 BDADRP CC[NH2+]CC1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634991890 345179039 /nfs/dbraw/zinc/17/90/39/345179039.db2.gz VPXKEUQJXZWRPW-UHFFFAOYSA-N 2 0 237.391 1.060 20 0 BDADRP [NH3+]C[C@@H](NCC12CC(C1)C[NH2+]2)C1CCCCC1 ZINC000634994863 345182743 /nfs/dbraw/zinc/18/27/43/345182743.db2.gz ORWPQGIPOSJNTP-HRDQMINSSA-N 2 0 237.391 1.236 20 0 BDADRP CC(C)[C@@H](C[NH3+])CN[C@@H](CC[NH3+])C(F)(F)F ZINC000634995329 345184372 /nfs/dbraw/zinc/18/43/72/345184372.db2.gz AVLMPAWHLJQZFO-IUCAKERBSA-N 2 0 241.301 1.087 20 0 BDADRP C([NH2+][C@H]1CCC[C@@H]2OCC[C@@H]21)C12CC(C1)C[NH2+]2 ZINC000634995513 345185404 /nfs/dbraw/zinc/18/54/04/345185404.db2.gz HDHBMELYFBHVOD-FRAWFVRRSA-N 2 0 236.359 1.286 20 0 BDADRP C(N1CCCC[C@H]1[C@@H]1CC[NH2+]C1)C12CC(C1)C[NH2+]2 ZINC000634995945 345186053 /nfs/dbraw/zinc/18/60/53/345186053.db2.gz UUNYWYZXBQEXBJ-FUUBYGMNSA-N 2 0 249.402 1.202 20 0 BDADRP C[C@@H]1C[C@H](C)N(CC23CC(C2)C[NH2+]3)C[C@@H]1C[NH3+] ZINC000634996913 345186465 /nfs/dbraw/zinc/18/64/65/345186465.db2.gz YVIZSUAACNTLDI-IGYKFCIQSA-N 2 0 237.391 1.044 20 0 BDADRP C[NH2+]Cc1ccccc1CNCC12CC(C1)C[NH2+]2 ZINC000634996711 345191087 /nfs/dbraw/zinc/19/10/87/345191087.db2.gz RKSDEEYHEHYSIN-UHFFFAOYSA-N 2 0 245.370 1.248 20 0 BDADRP CC(C)[C@H](CO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156146100 345128294 /nfs/dbraw/zinc/12/82/94/345128294.db2.gz LRJTWZTUJXHHKO-UPJWGTAASA-N 2 0 226.364 1.220 20 0 BDADRP CC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)COC1 ZINC000156152699 345133334 /nfs/dbraw/zinc/13/33/34/345133334.db2.gz VRVOXQQZVTXNRN-NWDGAFQWSA-N 2 0 224.348 1.239 20 0 BDADRP FC1(F)C[C@@]12CCN(CC13CC(C1)C[NH2+]3)C2 ZINC000634996380 345187518 /nfs/dbraw/zinc/18/75/18/345187518.db2.gz IJAKJEBWCSOIBS-HSOILSAZSA-N 2 0 228.286 1.470 20 0 BDADRP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000393633850 345153138 /nfs/dbraw/zinc/15/31/38/345153138.db2.gz LJBUGROSDCADHJ-YNEHKIRRSA-N 2 0 242.407 1.891 20 0 BDADRP c1nc(C2CCN(CC34CC(C3)C[NH2+]4)CC2)c[nH]1 ZINC000634993901 345191995 /nfs/dbraw/zinc/19/19/95/345191995.db2.gz JNAGLFPVDGKHDE-UHFFFAOYSA-N 2 0 246.358 1.341 20 0 BDADRP N[C@H]1CCCCC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000634997239 345194662 /nfs/dbraw/zinc/19/46/62/345194662.db2.gz HCSCIENYFDUTFC-OLZOCXBDSA-N 2 0 226.364 1.616 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000635001245 345202640 /nfs/dbraw/zinc/20/26/40/345202640.db2.gz LPKMFEICUAIOIH-FIQHERPVSA-N 2 0 214.353 1.515 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCCn3nccc32)CC[NH2+]1 ZINC000635002006 345203087 /nfs/dbraw/zinc/20/30/87/345203087.db2.gz KQYOWRXXKAQITG-FRRDWIJNSA-N 2 0 248.374 1.696 20 0 BDADRP C[C@@]1(C[NH+]2CCC(C)(F)CC2)CC[NH2+]C1 ZINC000635002492 345204115 /nfs/dbraw/zinc/20/41/15/345204115.db2.gz SOEROBLMKPYLNW-LLVKDONJSA-N 2 0 214.328 1.810 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCn2nccc21)[C@H]1CCC[NH2+]C1 ZINC000635002558 345204851 /nfs/dbraw/zinc/20/48/51/345204851.db2.gz UKULLGLYYZHNKG-RWMBFGLXSA-N 2 0 248.374 1.696 20 0 BDADRP C[C@H]([NH2+][C@H]1CCCn2nccc21)[C@@H]1CCC[NH2+]C1 ZINC000635002559 345204969 /nfs/dbraw/zinc/20/49/69/345204969.db2.gz UKULLGLYYZHNKG-XQQFMLRXSA-N 2 0 248.374 1.696 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000635002889 345205800 /nfs/dbraw/zinc/20/58/00/345205800.db2.gz AWJGELCOKZGMDA-UPJWGTAASA-N 2 0 228.380 1.658 20 0 BDADRP C[C@@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)[C@H]1CCC[NH2+]1 ZINC000635003624 345206205 /nfs/dbraw/zinc/20/62/05/345206205.db2.gz AMFWASZVKJKUDU-JHJVBQTASA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])[C@H](C)O1 ZINC000635003430 345206258 /nfs/dbraw/zinc/20/62/58/345206258.db2.gz DBQZFBJSMYEFNR-SJHCENCUSA-N 2 0 226.364 1.802 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1NCc1cccc2c1CC[NH2+]C2 ZINC000635003469 345206269 /nfs/dbraw/zinc/20/62/69/345206269.db2.gz JWDQIMVGSMQFTE-LSDHHAIUSA-N 2 0 245.370 1.302 20 0 BDADRP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)c2nccn21 ZINC000635004334 345207572 /nfs/dbraw/zinc/20/75/72/345207572.db2.gz HZZJJZWDVMGKDU-CYDGBPFRSA-N 2 0 248.374 1.996 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635004963 345208345 /nfs/dbraw/zinc/20/83/45/345208345.db2.gz KXZJLGFUELWLMO-JHJVBQTASA-N 2 0 236.363 1.379 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000635004903 345208524 /nfs/dbraw/zinc/20/85/24/345208524.db2.gz RECMRUVKUHHTKI-UPJWGTAASA-N 2 0 228.380 1.515 20 0 BDADRP [NH3+][C@H](CCN[C@@H]1CCC[C@H]1[NH3+])Cc1ccccc1 ZINC000635004892 345208747 /nfs/dbraw/zinc/20/87/47/345208747.db2.gz GCZXRGHJNSRFTR-RBSFLKMASA-N 2 0 247.386 1.416 20 0 BDADRP C[C@H]1CCNC[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635005093 345209166 /nfs/dbraw/zinc/20/91/66/345209166.db2.gz MBSJGRGYVAYKSC-CYDGBPFRSA-N 2 0 225.380 1.092 20 0 BDADRP CCC[C@@H](CCO)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000635005292 345209463 /nfs/dbraw/zinc/20/94/63/345209463.db2.gz UEUTUHJWMOBVIX-GRYCIOLGSA-N 2 0 214.353 1.268 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)[C@H]1CCOC1 ZINC000635010224 345212735 /nfs/dbraw/zinc/21/27/35/345212735.db2.gz JEVFZKJITWTNSF-RWMBFGLXSA-N 2 0 240.391 1.779 20 0 BDADRP COC[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)C1CC1 ZINC000635012721 345215110 /nfs/dbraw/zinc/21/51/10/345215110.db2.gz VKCMSLOWLVBRKI-STQMWFEESA-N 2 0 240.391 1.779 20 0 BDADRP CO[C@@H](C)[C@@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635008811 345216873 /nfs/dbraw/zinc/21/68/73/345216873.db2.gz VPNYAGBXHQBDRA-WRWGMCAJSA-N 2 0 214.353 1.517 20 0 BDADRP CCN1CCC([NH2+][C@H]2COC(C)(C)C2)CC1 ZINC000335353247 345290003 /nfs/dbraw/zinc/29/00/03/345290003.db2.gz BVBZAQSSOQKNGJ-GFCCVEGCSA-N 2 0 226.364 1.628 20 0 BDADRP CC[C@@H](C)C[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000093061526 345655936 /nfs/dbraw/zinc/65/59/36/345655936.db2.gz UCPBJGPOUIDSEN-CQSZACIVSA-N 2 0 241.423 1.650 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2ccncc2)C1 ZINC000221395702 345747257 /nfs/dbraw/zinc/74/72/57/345747257.db2.gz INIAXXHPZFQVQB-CHWSQXEVSA-N 2 0 219.332 1.689 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2cccnc2)C1 ZINC000221395530 345747551 /nfs/dbraw/zinc/74/75/51/345747551.db2.gz UHUCFTHIFWNQHM-WCQYABFASA-N 2 0 219.332 1.689 20 0 BDADRP COC[C@H](C)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000070584825 345788773 /nfs/dbraw/zinc/78/87/73/345788773.db2.gz AJZQGRAXMFGCOQ-RYUDHWBXSA-N 2 0 214.353 1.484 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000145211784 345932151 /nfs/dbraw/zinc/93/21/51/345932151.db2.gz XQIHHAQJBDEVHF-CQSZACIVSA-N 2 0 239.407 1.495 20 0 BDADRP Cc1c[nH]c(CN2C[C@@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC000628240397 346202821 /nfs/dbraw/zinc/20/28/21/346202821.db2.gz CTIDPDCWUWKPPZ-MNOVXSKESA-N 2 0 222.336 1.243 20 0 BDADRP COC(=O)CCCC[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000603427319 349949882 /nfs/dbraw/zinc/94/98/82/349949882.db2.gz COJSOLXVRHBKQX-VHSXEESVSA-N 2 0 228.336 1.045 20 0 BDADRP Cc1cccc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)n1 ZINC000336541723 179081682 /nfs/dbraw/zinc/08/16/82/179081682.db2.gz JPWDHTNEYQFDNM-OAHLLOKOSA-N 2 0 245.370 1.918 20 0 BDADRP Cc1cccc(C[NH+]2CCN(CC[NH3+])CC2)c1 ZINC000019933487 179076770 /nfs/dbraw/zinc/07/67/70/179076770.db2.gz RMFVJXIVIXYSFX-UHFFFAOYSA-N 2 0 233.359 1.071 20 0 BDADRP CO[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000300365526 346432699 /nfs/dbraw/zinc/43/26/99/346432699.db2.gz RUQAQXVEMZLEPB-NOOOWODRSA-N 2 0 212.337 1.413 20 0 BDADRP c1cnc(C[NH2+]CCCCC[NH+]2CCCC2)cn1 ZINC000574967708 346473207 /nfs/dbraw/zinc/47/32/07/346473207.db2.gz GZXCLIIXZOKVGI-UHFFFAOYSA-N 2 0 248.374 1.832 20 0 BDADRP Cn1cncc1CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000641800706 362752095 /nfs/dbraw/zinc/75/20/95/362752095.db2.gz DFFBAXNFRPRBET-GXTWGEPZSA-N 3 0 248.374 1.037 20 0 BDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCCC1CC[NH2+]CC1 ZINC000641802006 362758369 /nfs/dbraw/zinc/75/83/69/362758369.db2.gz XNWSHNRESAULLC-STQMWFEESA-N 3 0 239.407 1.482 20 0 BDADRP C[C@H]1CCCC[C@H]1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000394832476 323126909 /nfs/dbraw/zinc/12/69/09/323126909.db2.gz OWMHBMYXQLSWLO-XDQVBPFNSA-N 2 0 222.376 1.964 20 0 BDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000641807767 362765768 /nfs/dbraw/zinc/76/57/68/362765768.db2.gz RWLZKZLYSGIZLE-RYUDHWBXSA-N 2 0 247.342 1.001 20 0 BDADRP C(C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000580714930 346653955 /nfs/dbraw/zinc/65/39/55/346653955.db2.gz PIXRIPRQULWVPM-MJBXVCDLSA-N 2 0 238.375 1.487 20 0 BDADRP C(C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1)[C@H]1CCC[NH2+]C1 ZINC000580714929 346654217 /nfs/dbraw/zinc/65/42/17/346654217.db2.gz PIXRIPRQULWVPM-MCIONIFRSA-N 2 0 238.375 1.487 20 0 BDADRP CC(C)(C)[NH2+]CCN1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622004196 370654145 /nfs/dbraw/zinc/65/41/45/370654145.db2.gz LTJHXPJBJMGORF-DGCLKSJQSA-N 2 0 225.380 1.188 20 0 BDADRP [NH3+][C@]12CCC[C@@H]1C[N@H+](CC[C@H]1CCOC1)C2 ZINC000622004328 370655659 /nfs/dbraw/zinc/65/56/59/370655659.db2.gz NKUHWALLMLFBER-XQQFMLRXSA-N 2 0 224.348 1.226 20 0 BDADRP CC[C@@H]1CCCC[N@@H+]1C[C@H](O)CN(C)C1CC1 ZINC000310331599 347266633 /nfs/dbraw/zinc/26/66/33/347266633.db2.gz KEBUNFJGQSXZFA-TZMCWYRMSA-N 2 0 240.391 1.706 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C(C)(C)C)C1 ZINC000310429545 347282940 /nfs/dbraw/zinc/28/29/40/347282940.db2.gz SJGSUOZXGQQXHS-CHWSQXEVSA-N 2 0 242.407 1.667 20 0 BDADRP CC[NH+](CC)CCC[N@H+](C)CC[C@H](C)O ZINC000191512374 347353822 /nfs/dbraw/zinc/35/38/22/347353822.db2.gz HFDJYWHSOCTWPR-LBPRGKRZSA-N 2 0 216.369 1.421 20 0 BDADRP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C1(C)CC1 ZINC000166814816 136745233 /nfs/dbraw/zinc/74/52/33/136745233.db2.gz JGPFNQBQRYRMBK-NEPJUHHUSA-N 2 0 226.364 1.221 20 0 BDADRP CC[NH+](CC)CCC[N@H+](C)CCCCO ZINC000196210185 347488980 /nfs/dbraw/zinc/48/89/80/347488980.db2.gz OAUXOCLCKBGTLR-UHFFFAOYSA-N 2 0 216.369 1.423 20 0 BDADRP [NH3+]C1(C[NH2+]C2CCCCC2)CCOCC1 ZINC000149778929 347512423 /nfs/dbraw/zinc/51/24/23/347512423.db2.gz VQKBVQWKQBEDKT-UHFFFAOYSA-N 2 0 212.337 1.417 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2CCCC[C@@H]2CC[NH3+])O1 ZINC000149763143 347514131 /nfs/dbraw/zinc/51/41/31/347514131.db2.gz CUSAWALKDKAXSJ-JHJVBQTASA-N 2 0 226.364 1.757 20 0 BDADRP C[C@@H]1CC[C@@H](C[N@@H+]2CCC[C@H](CC[NH3+])C2)O1 ZINC000149765227 347514147 /nfs/dbraw/zinc/51/41/47/347514147.db2.gz PYZBKLVKWMLOHC-UPJWGTAASA-N 2 0 226.364 1.615 20 0 BDADRP FC(F)OCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000194036773 259396448 /nfs/dbraw/zinc/39/64/48/259396448.db2.gz YKICSOKLRNBIDQ-QWRGUYRKSA-N 2 0 248.317 1.832 20 0 BDADRP C(C[C@H]1CCC[NH2+]C1)[NH2+]C[C@H]1CCSC1 ZINC000414842496 323151637 /nfs/dbraw/zinc/15/16/37/323151637.db2.gz OYGQCOORAGZFNL-VXGBXAGGSA-N 2 0 228.405 1.719 20 0 BDADRP C[NH+](C)Cc1cccc(NC(=O)CCCC[NH3+])c1 ZINC000070201923 349976277 /nfs/dbraw/zinc/97/62/77/349976277.db2.gz IKKQLMMBVDBVBM-UHFFFAOYSA-N 2 0 249.358 1.816 20 0 BDADRP COC(=O)c1ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])[nH]1 ZINC000592438467 347779100 /nfs/dbraw/zinc/77/91/00/347779100.db2.gz MQSXTZJTLOBOJR-RKDXNWHRSA-N 2 0 239.319 1.017 20 0 BDADRP CCC[NH2+][C@@H](C)C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000449534498 201955206 /nfs/dbraw/zinc/95/52/06/201955206.db2.gz MGLZTPHZILEVOP-RYUDHWBXSA-N 2 0 241.379 1.104 20 0 BDADRP CCn1cc(C[N@H+](C)CC[C@@H]2CC[NH2+]C2)cn1 ZINC000577377716 365939395 /nfs/dbraw/zinc/93/93/95/365939395.db2.gz XMWORMKFBJQXKY-LBPRGKRZSA-N 2 0 236.363 1.334 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2CC[NH2+]CC2)CN1C1CC1 ZINC000577383099 365940428 /nfs/dbraw/zinc/94/04/28/365940428.db2.gz SNNULEPBJWXTPW-YPMHNXCESA-N 3 0 237.391 1.201 20 0 BDADRP CC[C@H](C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)OC ZINC000419316539 192120757 /nfs/dbraw/zinc/12/07/57/192120757.db2.gz XAYVMLLRISSJAA-CHWSQXEVSA-N 2 0 228.380 1.828 20 0 BDADRP C[C@@H]1C[C@@H](C)[N@H+](CCc2cn[nH]c2)C[C@@H]1C[NH3+] ZINC000397400551 362884712 /nfs/dbraw/zinc/88/47/12/362884712.db2.gz QVFVXOTWPKCYRB-WZRBSPASSA-N 2 0 236.363 1.257 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CC2(CCO)CC2)CC1(C)C ZINC000623497701 362921300 /nfs/dbraw/zinc/92/13/00/362921300.db2.gz URXBJOYNPKVAEA-LBPRGKRZSA-N 2 0 240.391 1.611 20 0 BDADRP CC(C)[NH+]1CCC(NC(=O)CC[C@H](C)[NH3+])CC1 ZINC000070315857 349993779 /nfs/dbraw/zinc/99/37/79/349993779.db2.gz IMKFYWGOHIQLAI-NSHDSACASA-N 2 0 241.379 1.103 20 0 BDADRP OC[C@H](CC(F)F)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000429452852 192146752 /nfs/dbraw/zinc/14/67/52/192146752.db2.gz QTQAVYJNYOXJHV-VWYCJHECSA-N 2 0 248.317 1.219 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000069890340 490191626 /nfs/dbraw/zinc/19/16/26/490191626.db2.gz ITGUKENWRWCALI-NEPJUHHUSA-N 2 0 228.380 1.874 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccc(=O)[nH]c2)CC1 ZINC000623051692 349004264 /nfs/dbraw/zinc/00/42/64/349004264.db2.gz IYYUVDPLIOFZCQ-UHFFFAOYSA-N 2 0 249.358 1.609 20 0 BDADRP COC[C@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000053196054 349057826 /nfs/dbraw/zinc/05/78/26/349057826.db2.gz PZYGYFIUPFYEQG-NSHDSACASA-N 2 0 228.380 1.874 20 0 BDADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC[C@H](C)[NH3+])[C@H]1C ZINC000598736043 349035485 /nfs/dbraw/zinc/03/54/85/349035485.db2.gz XEAXPEJAXKXSKK-FIQHERPVSA-N 2 0 242.363 1.291 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000250638309 349178058 /nfs/dbraw/zinc/17/80/58/349178058.db2.gz GKOMTNLHHXOVDM-UPJWGTAASA-N 2 0 237.391 1.330 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CCCOC1)[C@H]1CCCC[NH2+]1 ZINC000530211533 323211755 /nfs/dbraw/zinc/21/17/55/323211755.db2.gz METULNBIFRYAIH-HZSPNIEDSA-N 2 0 240.391 1.923 20 0 BDADRP CC[N@@H+]1CC[C@H](CN[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000250398340 349170363 /nfs/dbraw/zinc/17/03/63/349170363.db2.gz YVYHYWCLCNZAMP-UPJWGTAASA-N 2 0 225.380 1.188 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H]2CCOC2)C1 ZINC000250515982 349175249 /nfs/dbraw/zinc/17/52/49/349175249.db2.gz QPSATRDGNGMACF-NEPJUHHUSA-N 2 0 212.337 1.095 20 0 BDADRP COC[C@H](C)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000253109594 349223783 /nfs/dbraw/zinc/22/37/83/349223783.db2.gz FRLNIBUBYHMKKR-FKJOKYEKSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC000252142975 349196769 /nfs/dbraw/zinc/19/67/69/349196769.db2.gz NMJODPFECKVZHB-FVCCEPFGSA-N 2 0 225.380 1.329 20 0 BDADRP CC[C@@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)OC ZINC000623528544 362946747 /nfs/dbraw/zinc/94/67/47/362946747.db2.gz SMZPSWIXISAJPH-NEPJUHHUSA-N 2 0 228.380 1.874 20 0 BDADRP CCSCCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000300858948 349380293 /nfs/dbraw/zinc/38/02/93/349380293.db2.gz CERLAZDXUFFXDO-WDEREUQCSA-N 2 0 216.394 1.989 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@H]1CC(C)C ZINC000395462803 323227498 /nfs/dbraw/zinc/22/74/98/323227498.db2.gz RLIINCRLGFLAOX-FRRDWIJNSA-N 2 0 228.380 1.765 20 0 BDADRP CC(C)[NH+]1CCC(NCC[NH+](C)C)CC1 ZINC000021963954 350065056 /nfs/dbraw/zinc/06/50/56/350065056.db2.gz GIKATCHCHUWUGD-UHFFFAOYSA-N 2 0 213.369 1.010 20 0 BDADRP C[NH+](C)CCNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000071399960 350104495 /nfs/dbraw/zinc/10/44/95/350104495.db2.gz FKPJABGDLKHQJK-ZDUSSCGKSA-N 2 0 249.358 1.144 20 0 BDADRP CCN(CC)CC[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000132051050 191023656 /nfs/dbraw/zinc/02/36/56/191023656.db2.gz CDJYFKOJUORSLJ-VXGBXAGGSA-N 2 0 214.353 1.343 20 0 BDADRP CCOC[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000132430632 191032669 /nfs/dbraw/zinc/03/26/69/191032669.db2.gz UXYYVNBYVHVCQV-CHWSQXEVSA-N 2 0 228.380 1.733 20 0 BDADRP Cc1nc2ccccn2c1C[NH2+]CCCC[NH3+] ZINC000037715414 180107217 /nfs/dbraw/zinc/10/72/17/180107217.db2.gz AIXOAOZFRMHBHA-UHFFFAOYSA-N 2 0 232.331 1.471 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000309192799 350167386 /nfs/dbraw/zinc/16/73/86/350167386.db2.gz CRDOUTMHBCPPGP-OLZOCXBDSA-N 3 0 227.396 1.435 20 0 BDADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C[N@H+](C)C(C)C ZINC000236824648 191061633 /nfs/dbraw/zinc/06/16/33/191061633.db2.gz ZXDDYDOQTUYYRH-GFCCVEGCSA-N 2 0 243.395 1.158 20 0 BDADRP Cc1[nH+]ccc(N2CC[C@@H]3C[NH2+]C[C@@H]32)c1Cl ZINC000335309327 180193844 /nfs/dbraw/zinc/19/38/44/180193844.db2.gz WAOIAVXTZRBHFD-KOLCDFICSA-N 2 0 237.734 1.842 20 0 BDADRP C[C@@H](NC[C@H](C)[NH+](C)C)[C@H]1CCCC[NH2+]1 ZINC000422740379 192449845 /nfs/dbraw/zinc/44/98/45/192449845.db2.gz MPWSUOVKIHZFRU-QJPTWQEYSA-N 2 0 213.369 1.057 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000083525768 350236388 /nfs/dbraw/zinc/23/63/88/350236388.db2.gz LCMICLSKRHQQCU-AAEUAGOBSA-N 2 0 226.364 1.615 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@@H](C)C[C@H](C)O)CC1 ZINC000305104351 490433750 /nfs/dbraw/zinc/43/37/50/490433750.db2.gz CKGIAKXONBWAQM-STQMWFEESA-N 2 0 242.407 1.857 20 0 BDADRP CC(C)[C@H](O)CC[NH2+][C@@H](C)CCCC[NH3+] ZINC000422776773 192463644 /nfs/dbraw/zinc/46/36/44/192463644.db2.gz DKEZJHPSDITNMF-NWDGAFQWSA-N 2 0 216.369 1.501 20 0 BDADRP Cc1ccsc1CN1CCC[NH2+]CC1 ZINC000038086882 350304208 /nfs/dbraw/zinc/30/42/08/350304208.db2.gz PGXOCTFJBQTPEC-UHFFFAOYSA-N 2 0 210.346 1.852 20 0 BDADRP Cc1nn(C)c(C)c1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000093216525 180342262 /nfs/dbraw/zinc/34/22/62/180342262.db2.gz MLZOHOGGXYBRTJ-RYUDHWBXSA-N 2 0 236.363 1.396 20 0 BDADRP Cc1nn(C)c(C)c1C[NH+]1CCC(C[NH3+])CC1 ZINC000020315718 180337092 /nfs/dbraw/zinc/33/70/92/180337092.db2.gz JILBCTIPNANPPC-UHFFFAOYSA-N 2 0 236.363 1.208 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCCOCC1CC1 ZINC000422786061 192467339 /nfs/dbraw/zinc/46/73/39/192467339.db2.gz ODMMAQNLAHEPDA-NWDGAFQWSA-N 2 0 212.337 1.273 20 0 BDADRP Cc1nn(C)c(C)c1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000092324899 180340781 /nfs/dbraw/zinc/34/07/81/180340781.db2.gz SPBHIAQCMFLOIN-WCQYABFASA-N 2 0 236.363 1.254 20 0 BDADRP CC[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)[C@H](C)O ZINC000623540337 362958695 /nfs/dbraw/zinc/95/86/95/362958695.db2.gz VPZFCKKVMNPYCW-SRVKXCTJSA-N 2 0 228.380 1.608 20 0 BDADRP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000358410566 180382893 /nfs/dbraw/zinc/38/28/93/180382893.db2.gz VRHQFLQOAXQFIL-GBIKHYSHSA-N 2 0 236.363 1.329 20 0 BDADRP CC[N@@H+]1CC[C@H](CN[C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000163257384 350511557 /nfs/dbraw/zinc/51/15/57/350511557.db2.gz IFGADPOCTBRJGY-BFHYXJOUSA-N 2 0 239.407 1.258 20 0 BDADRP C[NH2+]CCC[NH2+]C1(c2ccccc2)CCOCC1 ZINC000577492592 365968455 /nfs/dbraw/zinc/96/84/55/365968455.db2.gz FWVAXFCRSDVGAQ-UHFFFAOYSA-N 2 0 248.370 1.891 20 0 BDADRP CC[C@@H](O)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623553213 362974146 /nfs/dbraw/zinc/97/41/46/362974146.db2.gz KQBFZPSNKGAIAY-GHMZBOCLSA-N 2 0 214.353 1.220 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCc3nc[nH]c3C2)C1 ZINC000575935035 350777440 /nfs/dbraw/zinc/77/74/40/350777440.db2.gz CNVSHRBEBNEZMW-VWYCJHECSA-N 2 0 234.347 1.127 20 0 BDADRP COC[C@@H](C)C[NH2+]C1(C)CC[NH2+]CC1 ZINC000577589495 366007922 /nfs/dbraw/zinc/00/79/22/366007922.db2.gz CILRVSAMEAFFDL-JTQLQIEISA-N 2 0 200.326 1.001 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+][C@H](CO)CCF)CC1(C)C ZINC000623560501 362985170 /nfs/dbraw/zinc/98/51/70/362985170.db2.gz IFWFECYIKLEJBE-MNOVXSKESA-N 2 0 232.343 1.169 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@H](CO)CCF)CC1(C)C ZINC000623560502 362985529 /nfs/dbraw/zinc/98/55/29/362985529.db2.gz IFWFECYIKLEJBE-QWRGUYRKSA-N 2 0 232.343 1.169 20 0 BDADRP CCOCCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000336684309 350920660 /nfs/dbraw/zinc/92/06/60/350920660.db2.gz FAALJTOTVAJJAB-KBPBESRZSA-N 2 0 240.391 1.829 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCOC(F)(F)F)C1 ZINC000398248612 351022035 /nfs/dbraw/zinc/02/20/35/351022035.db2.gz KCSUACYPUOLXSB-YUMQZZPRSA-N 2 0 226.242 1.382 20 0 BDADRP CCN1CCC[C@@H]1C[NH2+][C@H](C)CCC[NH3+] ZINC000336714673 351105301 /nfs/dbraw/zinc/10/53/01/351105301.db2.gz WCEHANFGLBSSDC-VXGBXAGGSA-N 2 0 213.369 1.188 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cnc(C3CC3)o2)C1 ZINC000628326948 351263655 /nfs/dbraw/zinc/26/36/55/351263655.db2.gz BWEQWOFSILJCJT-KLPPZKSPSA-N 2 0 249.358 1.982 20 0 BDADRP CCN(CC)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000036754092 358462812 /nfs/dbraw/zinc/46/28/12/358462812.db2.gz WUUKDBIRINBBAQ-UHFFFAOYSA-N 2 0 241.379 1.058 20 0 BDADRP CCCC[C@@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000336730020 351583571 /nfs/dbraw/zinc/58/35/71/351583571.db2.gz IALIDHZTUMNYBZ-GFCCVEGCSA-N 2 0 228.380 1.611 20 0 BDADRP [NH3+]Cc1cccc(NC(=O)C2=CC[C@H]([NH3+])C2)c1 ZINC000637800690 351636325 /nfs/dbraw/zinc/63/63/25/351636325.db2.gz HISICTRKAOQBME-NSHDSACASA-N 2 0 231.299 1.131 20 0 BDADRP C[C@H]1C[C@H](C[N@H+](C)Cc2cnc[nH]2)CC[NH2+]1 ZINC000577650099 366032738 /nfs/dbraw/zinc/03/27/38/366032738.db2.gz CVXQLJAODDJINR-WDEREUQCSA-N 2 0 222.336 1.230 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000637816453 351655813 /nfs/dbraw/zinc/65/58/13/351655813.db2.gz LWPBXQYHLYOOMB-NEPJUHHUSA-N 2 0 241.379 1.090 20 0 BDADRP CC(C)C[C@H]([NH3+])c1noc(CCC2C[NH2+]C2)n1 ZINC000637795136 351624503 /nfs/dbraw/zinc/62/45/03/351624503.db2.gz RIKKJRSZYPBYQM-JTQLQIEISA-N 2 0 238.335 1.268 20 0 BDADRP CC[NH2+]CCC[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000577720044 366042144 /nfs/dbraw/zinc/04/21/44/366042144.db2.gz NQMJWRRYHUPAGA-NEPJUHHUSA-N 2 0 214.353 1.391 20 0 BDADRP C[NH+](C)C1CC[NH+](CCC[C@@H]2CCO2)CC1 ZINC000637928156 351803427 /nfs/dbraw/zinc/80/34/27/351803427.db2.gz VGZPAFUFNHRCIT-CYBMUJFWSA-N 2 0 226.364 1.582 20 0 BDADRP CCC[C@H](C[N@@H+]1CC[C@H](C[NH+](C)C)C1)OC ZINC000638075734 351947420 /nfs/dbraw/zinc/94/74/20/351947420.db2.gz HFOMRNCZARZAGS-CHWSQXEVSA-N 2 0 228.380 1.685 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000638195265 352057857 /nfs/dbraw/zinc/05/78/57/352057857.db2.gz LARNLEIYJFOGCC-NEPJUHHUSA-N 2 0 241.379 1.008 20 0 BDADRP CC(C)CC[C@@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000638195267 352058384 /nfs/dbraw/zinc/05/83/84/352058384.db2.gz LARNLEIYJFOGCC-NWDGAFQWSA-N 2 0 241.379 1.008 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000638197408 352059170 /nfs/dbraw/zinc/05/91/70/352059170.db2.gz JOMMECPTMKDSOO-SRVKXCTJSA-N 2 0 241.379 1.136 20 0 BDADRP CC(C)C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638287730 352123578 /nfs/dbraw/zinc/12/35/78/352123578.db2.gz WHCSEUOKPWYFCJ-UHFFFAOYSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@@H]([NH2+]CCC[NH+](C)C)[C@@H]1CC1(F)F ZINC000638290916 352125010 /nfs/dbraw/zinc/12/50/10/352125010.db2.gz WMCFQLWFWFIVEX-BDAKNGLRSA-N 2 0 206.280 1.571 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000638270614 352108682 /nfs/dbraw/zinc/10/86/82/352108682.db2.gz JMGNMFFQVFZPME-QWRGUYRKSA-N 2 0 241.379 1.007 20 0 BDADRP CC(C)CC[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000638333155 352151681 /nfs/dbraw/zinc/15/16/81/352151681.db2.gz OTMRPIFNXJIMGD-MNOVXSKESA-N 2 0 243.395 1.240 20 0 BDADRP C[NH2+]CCCN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC000638343221 352162540 /nfs/dbraw/zinc/16/25/40/352162540.db2.gz HSTUOYSCAOBRNX-UHFFFAOYSA-N 2 0 243.395 1.032 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CS[C@H](C)C1 ZINC000638360487 352171314 /nfs/dbraw/zinc/17/13/14/352171314.db2.gz SCBFLBXCPLSWIH-NEPJUHHUSA-N 2 0 246.420 1.438 20 0 BDADRP CC(C)CC[C@@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000638365239 352176100 /nfs/dbraw/zinc/17/61/00/352176100.db2.gz WJZNSZHSKMQVJL-IJLUTSLNSA-N 2 0 241.379 1.136 20 0 BDADRP C(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C[C@H]1CCO1 ZINC000638378473 352189669 /nfs/dbraw/zinc/18/96/69/352189669.db2.gz XEQWBVJKCGJDGG-MCIONIFRSA-N 2 0 238.375 1.772 20 0 BDADRP CN(CC(C)(C)[NH3+])C(=O)C[N@H+](C)CC(C)(C)C ZINC000638404232 352208750 /nfs/dbraw/zinc/20/87/50/352208750.db2.gz WOYADRRATJFJGL-UHFFFAOYSA-N 2 0 243.395 1.160 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@H](OC)C2CC2)C1 ZINC000638410249 352217889 /nfs/dbraw/zinc/21/78/89/352217889.db2.gz YIISTLAGQIPXGI-OCCSQVGLSA-N 2 0 240.391 1.733 20 0 BDADRP C[NH+](C)CCCC[NH2+]C1CC(n2cccn2)C1 ZINC000638452405 352263311 /nfs/dbraw/zinc/26/33/11/352263311.db2.gz YNQDPUGECKNIOO-UHFFFAOYSA-N 2 0 236.363 1.518 20 0 BDADRP CC(C)COCC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000261540673 535177222 /nfs/dbraw/zinc/17/72/22/535177222.db2.gz HBYNSQKINFBVAB-IHRRRGAJSA-N 2 0 240.391 1.718 20 0 BDADRP CCN(CC[NH3+])C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000638516354 352347159 /nfs/dbraw/zinc/34/71/59/352347159.db2.gz AITUOMQCVMAVFJ-GFCCVEGCSA-N 2 0 241.379 1.058 20 0 BDADRP CCC(CC)C[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000414947087 352370831 /nfs/dbraw/zinc/37/08/31/352370831.db2.gz UKZZWRGKGVGHMP-ZDUSSCGKSA-N 2 0 228.380 1.781 20 0 BDADRP C[C@@H](C[NH3+])NCc1ccccc1OCC1CC1 ZINC000414959774 352381777 /nfs/dbraw/zinc/38/17/77/352381777.db2.gz UDWUQMHLWWCHPV-NSHDSACASA-N 2 0 234.343 1.912 20 0 BDADRP C[NH+]1CCC(C[NH2+]C2CC(n3cccn3)C2)CC1 ZINC000638566310 352392298 /nfs/dbraw/zinc/39/22/98/352392298.db2.gz HBIMTMXOECVCOA-UHFFFAOYSA-N 2 0 248.374 1.518 20 0 BDADRP C[C@@H](C[NH2+]CCC[C@H]1CCO1)N(C)C1CC1 ZINC000638574376 352404925 /nfs/dbraw/zinc/40/49/25/352404925.db2.gz DDHOWRYJDXWIKX-AAEUAGOBSA-N 2 0 226.364 1.628 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCC[C@H]2CCO2)CC[N@@H+]1C ZINC000638706027 352544673 /nfs/dbraw/zinc/54/46/73/352544673.db2.gz DJZGMKBRCYNMNE-AGIUHOORSA-N 2 0 226.364 1.628 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)CS1 ZINC000252173153 363190462 /nfs/dbraw/zinc/19/04/62/363190462.db2.gz RNEPDSPDROAUAZ-IJLUTSLNSA-N 2 0 240.416 1.954 20 0 BDADRP CCC[N@H+](CC)CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000300367974 352560769 /nfs/dbraw/zinc/56/07/69/352560769.db2.gz ONCRVRJGTWQCBW-STQMWFEESA-N 2 0 227.396 1.578 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC[C@H]1CCCCO1 ZINC000300367533 352560900 /nfs/dbraw/zinc/56/09/00/352560900.db2.gz LETKIBXSAXCIML-FRRDWIJNSA-N 2 0 226.364 1.757 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@@H]1NCCC[NH+]1CCCCC1 ZINC000343034564 352941565 /nfs/dbraw/zinc/94/15/65/352941565.db2.gz NTKPLJQOETZULN-KGLIPLIRSA-N 2 0 239.407 1.402 20 0 BDADRP C[N@H+]1CC=C(C[NH2+]CCC[C@H]2CCO2)CC1 ZINC000638838321 353023032 /nfs/dbraw/zinc/02/30/32/353023032.db2.gz GCSQXMQQXRNSSI-ZDUSSCGKSA-N 2 0 224.348 1.407 20 0 BDADRP CC[C@@H](C(=O)N1CCCCC[C@H]([NH3+])C1)[NH+](C)C ZINC000638816421 352997286 /nfs/dbraw/zinc/99/72/86/352997286.db2.gz SCDVPOSZJHWPEF-RYUDHWBXSA-N 2 0 241.379 1.057 20 0 BDADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638822115 353002708 /nfs/dbraw/zinc/00/27/08/353002708.db2.gz GKUFYPTUCQNOLH-WDEREUQCSA-N 2 0 241.379 1.090 20 0 BDADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638822114 353002736 /nfs/dbraw/zinc/00/27/36/353002736.db2.gz GKUFYPTUCQNOLH-GHMZBOCLSA-N 2 0 241.379 1.090 20 0 BDADRP CCC[C@H](C[N@@H+]1CC[C@H]2CCN(C)C[C@@H]21)OC ZINC000638919096 353084026 /nfs/dbraw/zinc/08/40/26/353084026.db2.gz YEAALIZTHFZKCQ-MCIONIFRSA-N 2 0 240.391 1.828 20 0 BDADRP CC[C@H]1CCCC[N@@H+]1CCNC1=[NH+]CCCN1 ZINC000073840208 353118282 /nfs/dbraw/zinc/11/82/82/353118282.db2.gz DWLMWKJLQRURRI-LBPRGKRZSA-N 2 0 238.379 1.190 20 0 BDADRP CC(C)([NH3+])CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000336053384 535200006 /nfs/dbraw/zinc/20/00/06/535200006.db2.gz NPJUVFYZAZDVFK-ZDUSSCGKSA-N 2 0 239.407 1.674 20 0 BDADRP CC(C)C[NH+]1CCC(N[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000422821455 192480332 /nfs/dbraw/zinc/48/03/32/192480332.db2.gz WHJOTWRHLTZULO-KGLIPLIRSA-N 2 0 239.407 1.576 20 0 BDADRP COc1cc(C[NH2+]CCCC[NH3+])cc(OC)c1 ZINC000037715128 358476427 /nfs/dbraw/zinc/47/64/27/358476427.db2.gz QGRHNSYWZQCWAB-UHFFFAOYSA-N 2 0 238.331 1.532 20 0 BDADRP CNC(=O)c1ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422826423 192481273 /nfs/dbraw/zinc/48/12/73/192481273.db2.gz LKTGAVBAHWUGHI-GHMZBOCLSA-N 2 0 249.358 1.262 20 0 BDADRP C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)OCC1CC1 ZINC000358505630 188240485 /nfs/dbraw/zinc/24/04/85/188240485.db2.gz KVPSTUFPGDVJGG-UHFFFAOYSA-N 2 0 238.375 1.489 20 0 BDADRP CC(C)C[C@H]([NH3+])CN(C)Cc1ccncc1 ZINC000036776454 188254749 /nfs/dbraw/zinc/25/47/49/188254749.db2.gz XVGQSZRGVMUARJ-ZDUSSCGKSA-N 2 0 221.348 1.887 20 0 BDADRP C(C[N@@H+]1CCC2(CCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000335630714 188255858 /nfs/dbraw/zinc/25/58/58/188255858.db2.gz FQUMINJXCWSUKI-LBPRGKRZSA-N 2 0 208.349 1.862 20 0 BDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCOCC1CC1 ZINC000126717872 188258261 /nfs/dbraw/zinc/25/82/61/188258261.db2.gz IELRYGQVYRTDAA-CYBMUJFWSA-N 2 0 228.380 1.718 20 0 BDADRP COc1ccc(CC[N@@H+]2CC[C@H](CC[NH3+])C2)cc1 ZINC000076693048 188268785 /nfs/dbraw/zinc/26/87/85/188268785.db2.gz AKBDHWBLRXFKIP-AWEZNQCLSA-N 2 0 248.370 1.908 20 0 BDADRP CC[NH+]1CCC([NH2+]CCC2CC(O)C2)CC1 ZINC000336769771 353296897 /nfs/dbraw/zinc/29/68/97/353296897.db2.gz SLRCGOFQAQCNPT-UHFFFAOYSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@H]1CC[NH+](C2CC2)C1 ZINC000343273514 353302224 /nfs/dbraw/zinc/30/22/24/353302224.db2.gz YEDFAKQPIGBWDK-BZPMIXESSA-N 2 0 237.391 1.010 20 0 BDADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)CC ZINC000122792318 324058718 /nfs/dbraw/zinc/05/87/18/324058718.db2.gz UIQYAVRKGYHJSF-VXGBXAGGSA-N 2 0 216.369 1.731 20 0 BDADRP Cc1cc(N[C@@H]2CCC[NH2+][C@@H]2C)cc[nH+]1 ZINC000129503898 188318191 /nfs/dbraw/zinc/31/81/91/188318191.db2.gz OKRNYRBPUIOUAN-ZYHUDNBSSA-N 2 0 205.305 1.942 20 0 BDADRP C[NH+](C)CCOCC[NH2+]C/C=C\c1ccccc1 ZINC000310598975 188349192 /nfs/dbraw/zinc/34/91/92/188349192.db2.gz SAGKYUMAMXXJHJ-TWGQIWQCSA-N 2 0 248.370 1.868 20 0 BDADRP C[N@H+](C[C@@H]1CCOC1)C[C@@H]1CCC[NH+](C)C1 ZINC000336701002 188358826 /nfs/dbraw/zinc/35/88/26/188358826.db2.gz LUDDRDUIVWCKKK-OLZOCXBDSA-N 2 0 226.364 1.297 20 0 BDADRP Cc1nc(F)ccc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000278771285 188382289 /nfs/dbraw/zinc/38/22/89/188382289.db2.gz OUCVUWJLRVZKPD-UHFFFAOYSA-N 2 0 249.333 1.881 20 0 BDADRP C[C@]1(C[NH2+][C@H]2CCC[C@H]2C[NH3+])CCOC1 ZINC000397223508 324113055 /nfs/dbraw/zinc/11/30/55/324113055.db2.gz LUGROXMSQLXNFD-SDDRHHMPSA-N 2 0 212.337 1.130 20 0 BDADRP C[NH2+][C@@H]1CCN(CCC(=O)Nc2ccccc2)C1 ZINC000123158382 188398904 /nfs/dbraw/zinc/39/89/04/188398904.db2.gz KIYLNFKJKRVACS-CYBMUJFWSA-N 2 0 247.342 1.309 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCSC1 ZINC000231347155 353595244 /nfs/dbraw/zinc/59/52/44/353595244.db2.gz MNZUIWMKZQMCCZ-HBNTYKKESA-N 2 0 214.378 1.599 20 0 BDADRP COC[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)C1CC1 ZINC000398069397 324216927 /nfs/dbraw/zinc/21/69/27/324216927.db2.gz YOEUQUAXIUVJBI-VXGBXAGGSA-N 2 0 212.337 1.143 20 0 BDADRP Cn1cncc1CC[N@@H+]1CCC2(CCC2)C1 ZINC000334549290 353989357 /nfs/dbraw/zinc/98/93/57/353989357.db2.gz BMNRFJCFKGABSK-UHFFFAOYSA-N 2 0 219.332 1.839 20 0 BDADRP C[C@@H](CCn1cccn1)[NH2+]CCCC[NH+](C)C ZINC000353843529 354020088 /nfs/dbraw/zinc/02/00/88/354020088.db2.gz PSJMDNQWQQHKRU-ZDUSSCGKSA-N 2 0 238.379 1.593 20 0 BDADRP CCCC[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344036226 354101752 /nfs/dbraw/zinc/10/17/52/354101752.db2.gz FXSLGMJHPORNSL-UHFFFAOYSA-N 2 0 229.412 1.602 20 0 BDADRP CCC[C@@H](C)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344098221 354139721 /nfs/dbraw/zinc/13/97/21/354139721.db2.gz YDMMVKNUMWYARW-CQSZACIVSA-N 2 0 243.439 1.990 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000449671920 202001095 /nfs/dbraw/zinc/00/10/95/202001095.db2.gz LDAKGEMMAYDXEJ-ZDUSSCGKSA-N 2 0 247.342 1.746 20 0 BDADRP COCCCC[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231669469 363347249 /nfs/dbraw/zinc/34/72/49/363347249.db2.gz BAKSBDLHIDEYJD-LBPRGKRZSA-N 2 0 214.353 1.487 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000344763276 354356215 /nfs/dbraw/zinc/35/62/15/354356215.db2.gz UEYAUDCDPOYPEM-RFGFWPKPSA-N 2 0 239.407 1.399 20 0 BDADRP C/C=C\C[C@H](CO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000349379091 366183732 /nfs/dbraw/zinc/18/37/32/366183732.db2.gz MVWZRMHOXCJXBK-IYIFEETDSA-N 2 0 238.375 1.530 20 0 BDADRP C/C=C\C[C@H](CO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000349379092 366184134 /nfs/dbraw/zinc/18/41/34/366184134.db2.gz MVWZRMHOXCJXBK-JRWPOKQRSA-N 2 0 238.375 1.530 20 0 BDADRP CC[C@H](CO)[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000345877752 354794697 /nfs/dbraw/zinc/79/46/97/354794697.db2.gz CLHHKVVWQBJSEA-VXGBXAGGSA-N 2 0 214.353 1.173 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)CC1CC1 ZINC000234748127 363429256 /nfs/dbraw/zinc/42/92/56/363429256.db2.gz NQRUUVQDCKSJFN-ZYHUDNBSSA-N 2 0 214.353 1.519 20 0 BDADRP Cc1c[nH+]ccc1N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000335165921 354923380 /nfs/dbraw/zinc/92/33/80/354923380.db2.gz KNPKHUGQMYYIRB-NWDGAFQWSA-N 2 0 231.343 1.849 20 0 BDADRP CCN(CCO)CC[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000346537638 354980612 /nfs/dbraw/zinc/98/06/12/354980612.db2.gz RXCBWOHCTLPNQA-MGPQQGTHSA-N 2 0 242.407 1.715 20 0 BDADRP COc1ccsc1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000346638250 355015559 /nfs/dbraw/zinc/01/55/59/355015559.db2.gz JGFPNFVXVCFSRK-VHSXEESVSA-N 2 0 240.372 1.926 20 0 BDADRP CC[C@H](C)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530239770 324552402 /nfs/dbraw/zinc/55/24/02/324552402.db2.gz HRUFVCPXGLKIGW-JSGCOSHPSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)c1nccc(NCC2([NH3+])CCC2)n1 ZINC000420231838 192180457 /nfs/dbraw/zinc/18/04/57/192180457.db2.gz SKVRBRNSVVSSPN-UHFFFAOYSA-N 2 0 220.320 1.315 20 0 BDADRP C[C@H](CC(N)=O)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000346751671 355110818 /nfs/dbraw/zinc/11/08/18/355110818.db2.gz DBJYRWHUPMYSPO-NEPJUHHUSA-N 2 0 241.379 1.104 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)[C@]2(C)CC[NH2+]C2)c1 ZINC000335238263 355100088 /nfs/dbraw/zinc/10/00/88/355100088.db2.gz JQUSZOWAIFVYBM-CQSZACIVSA-N 2 0 247.342 1.392 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CCC[C@H]([NH+](C)C)C1 ZINC000084420538 535280450 /nfs/dbraw/zinc/28/04/50/535280450.db2.gz FPFKTGCSUFXKEK-OLZOCXBDSA-N 2 0 227.396 1.386 20 0 BDADRP CC(C)[NH2+]C1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000346848440 355136542 /nfs/dbraw/zinc/13/65/42/355136542.db2.gz DONOMLTUEWKTEQ-ZDUSSCGKSA-N 2 0 239.407 1.448 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@H+](CCOC2CCC2)C1 ZINC000346970750 355207566 /nfs/dbraw/zinc/20/75/66/355207566.db2.gz RHADENNGSFZJNY-LBPRGKRZSA-N 2 0 226.364 1.439 20 0 BDADRP CC(C)CO[C@@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346964813 355172346 /nfs/dbraw/zinc/17/23/46/355172346.db2.gz BTPHLJJVVFGXQX-ZIAGYGMSSA-N 2 0 240.391 1.733 20 0 BDADRP CN(CC[C@@H]1CCCC[N@@H+]1C)CC(C)(C)[NH3+] ZINC000346985610 355186600 /nfs/dbraw/zinc/18/66/00/355186600.db2.gz PNKXCFAMQRHNMJ-LBPRGKRZSA-N 2 0 227.396 1.530 20 0 BDADRP C[C@@H]1CCCN(C[C@@H]2CCC[NH2+]C2)[C@H]1C[NH3+] ZINC000346995286 355192507 /nfs/dbraw/zinc/19/25/07/355192507.db2.gz BDKGYACNJONEKD-UPJWGTAASA-N 2 0 225.380 1.045 20 0 BDADRP C[C@@]1([NH3+])CC[N@@H+]([C@H]2CCCSC2)C1 ZINC000405792183 355296511 /nfs/dbraw/zinc/29/65/11/355296511.db2.gz LKOVFRJFBXNTOY-VHSXEESVSA-N 2 0 200.351 1.305 20 0 BDADRP CCN1CC[C@@H]([NH2+][C@@H](C)Cc2cnccn2)C1 ZINC000639266020 355324872 /nfs/dbraw/zinc/32/48/72/355324872.db2.gz IBSBSDXQBLENMJ-NWDGAFQWSA-N 2 0 234.347 1.091 20 0 BDADRP CC(C)[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)C(C)(C)O ZINC000583510572 355347524 /nfs/dbraw/zinc/34/75/24/355347524.db2.gz VXEUPJAWFLEDCN-SRVKXCTJSA-N 2 0 228.380 1.641 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCCC2(O)CCC2)CC[N@@H+]1C ZINC000639277052 355353155 /nfs/dbraw/zinc/35/31/55/355353155.db2.gz RQZKOPYTUQTOEP-OLZOCXBDSA-N 2 0 240.391 1.754 20 0 BDADRP Cn1cncc1C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000335792968 355446068 /nfs/dbraw/zinc/44/60/68/355446068.db2.gz WRNDYKTZNZKXAD-UHFFFAOYSA-N 2 0 248.374 1.480 20 0 BDADRP C[C@H]([NH3+])c1ccc(C[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000414807200 191575639 /nfs/dbraw/zinc/57/56/39/191575639.db2.gz ISGAJWNCBOVAFB-LBPRGKRZSA-N 3 0 247.386 1.796 20 0 BDADRP c1ccc2c(c1)CC([NH2+]CC[C@@H]1CC[NH2+]C1)C2 ZINC000414832230 191592946 /nfs/dbraw/zinc/59/29/46/191592946.db2.gz OETKYFUKVHUDCK-LBPRGKRZSA-N 2 0 230.355 1.743 20 0 BDADRP Fc1cncc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c1 ZINC000414841417 191597309 /nfs/dbraw/zinc/59/73/09/191597309.db2.gz OANGHTKUAPCQIU-NSHDSACASA-N 2 0 237.322 1.700 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+]CC[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000414848510 191600277 /nfs/dbraw/zinc/60/02/77/191600277.db2.gz XCKHBAXQKWJPKJ-HZSPNIEDSA-N 3 0 239.407 1.354 20 0 BDADRP C[NH2+]Cc1cccc(NCC2CC[NH2+]CC2)c1 ZINC000414861114 191604702 /nfs/dbraw/zinc/60/47/02/191604702.db2.gz FAPCKTUAYVXXFX-UHFFFAOYSA-N 2 0 233.359 1.818 20 0 BDADRP CC(=O)Nc1ccc(C[NH2+][C@H](C)CCC[NH3+])cc1 ZINC000415021792 191655630 /nfs/dbraw/zinc/65/56/30/191655630.db2.gz KQWKPUBEYWXWSI-LLVKDONJSA-N 2 0 249.358 1.862 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]Cc1cccc2c1OCCO2 ZINC000414875706 191610243 /nfs/dbraw/zinc/61/02/43/191610243.db2.gz KITMROBTSKOFNL-SNVBAGLBSA-N 2 0 236.315 1.142 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000398646560 355547569 /nfs/dbraw/zinc/54/75/69/355547569.db2.gz AENNAGVZJURPFX-FRRDWIJNSA-N 2 0 228.380 1.658 20 0 BDADRP Cc1cccc2ncc(C[NH2+]C[C@H](C)C[NH3+])n21 ZINC000414878993 191611413 /nfs/dbraw/zinc/61/14/13/191611413.db2.gz OSVDZVYJGDMCQA-SNVBAGLBSA-N 2 0 232.331 1.327 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)C1CCOCC1 ZINC000415093566 191676509 /nfs/dbraw/zinc/67/65/09/191676509.db2.gz VSIGCASEYUYARS-FRRDWIJNSA-N 2 0 240.391 1.779 20 0 BDADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cccc(O)c2)C1 ZINC000415034637 191659284 /nfs/dbraw/zinc/65/92/84/191659284.db2.gz KCCNDHSATRXPGE-JQWIXIFHSA-N 2 0 220.316 1.609 20 0 BDADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCSC2)C1 ZINC000415045980 191662291 /nfs/dbraw/zinc/66/22/91/191662291.db2.gz UTMUJQMSGOZNFA-MXWKQRLJSA-N 2 0 214.378 1.599 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[NH2+]C(C)(C)C1 ZINC000415060197 191664844 /nfs/dbraw/zinc/66/48/44/191664844.db2.gz YMLZJJOFZMTTFA-NSHDSACASA-N 2 0 213.369 1.044 20 0 BDADRP CC(C)[NH2+]CCC[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000582175470 355577562 /nfs/dbraw/zinc/57/75/62/355577562.db2.gz QYIMYGCQNKDNBQ-CHWSQXEVSA-N 2 0 228.380 1.779 20 0 BDADRP COC[C@H]([NH2+]CCC[N@H+](C)C(C)C)C1CC1 ZINC000166570174 355694477 /nfs/dbraw/zinc/69/44/77/355694477.db2.gz FPNVRWXROHUTAE-ZDUSSCGKSA-N 2 0 228.380 1.731 20 0 BDADRP COC(C)(C)C[N@H+](C)CCC1CC[NH2+]CC1 ZINC000379161043 355814964 /nfs/dbraw/zinc/81/49/64/355814964.db2.gz HCAJKSXQMWKVPL-UHFFFAOYSA-N 2 0 228.380 1.733 20 0 BDADRP CC(C)(O)CC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000261538816 535293226 /nfs/dbraw/zinc/29/32/26/535293226.db2.gz ZKRPKVJKXJTCPT-WDEREUQCSA-N 2 0 214.353 1.255 20 0 BDADRP CCC[NH2+][C@@H](C)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417826615 191931604 /nfs/dbraw/zinc/93/16/04/191931604.db2.gz DPQWJBISOUKEHO-JQWIXIFHSA-N 2 0 241.379 1.008 20 0 BDADRP CCC1(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CCOCC1 ZINC000261545620 535297071 /nfs/dbraw/zinc/29/70/71/535297071.db2.gz GDIUMEGEIMVSEA-CHWSQXEVSA-N 2 0 240.391 1.910 20 0 BDADRP C(C[N@H+](C[C@@H]1CCOC1)C1CC1)[C@H]1CC[NH2+]C1 ZINC000420299070 192204189 /nfs/dbraw/zinc/20/41/89/192204189.db2.gz GFHBKJWRODWHCY-OLZOCXBDSA-N 2 0 238.375 1.487 20 0 BDADRP CCCC[N@H+](CCO)CC[C@@H]1CC[NH2+]C1 ZINC000420318748 192195430 /nfs/dbraw/zinc/19/54/30/192195430.db2.gz OSSCCSRGWWHOOW-LBPRGKRZSA-N 2 0 214.353 1.080 20 0 BDADRP CCCC[N@H+](CCO)CC[C@H]1CC[NH2+]C1 ZINC000420318747 192195985 /nfs/dbraw/zinc/19/59/85/192195985.db2.gz OSSCCSRGWWHOOW-GFCCVEGCSA-N 2 0 214.353 1.080 20 0 BDADRP C[N@H+](CCCc1ccncc1)C1CC[NH2+]CC1 ZINC000420272029 192197736 /nfs/dbraw/zinc/19/77/36/192197736.db2.gz LNJGKLONTUOKID-UHFFFAOYSA-N 2 0 233.359 1.698 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000639488499 356305357 /nfs/dbraw/zinc/30/53/57/356305357.db2.gz IRYRKECHTPVNMX-AVGNSLFASA-N 2 0 226.364 1.295 20 0 BDADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420283600 192200400 /nfs/dbraw/zinc/20/04/00/192200400.db2.gz CHMLUMYJPJWNSA-KGLIPLIRSA-N 3 0 241.423 1.681 20 0 BDADRP CC[NH+](CC)CCCN1CCC[C@@H]1C[NH3+] ZINC000420286862 192200692 /nfs/dbraw/zinc/20/06/92/192200692.db2.gz GVKRSGWABFMFCV-GFCCVEGCSA-N 2 0 213.369 1.141 20 0 BDADRP C[NH2+]C[C@@H]1CCCN1CCC[NH+]1CCCCC1 ZINC000420290075 192202011 /nfs/dbraw/zinc/20/20/11/192202011.db2.gz LGBXCAAMCLMOMI-AWEZNQCLSA-N 2 0 239.407 1.546 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000639493751 356316673 /nfs/dbraw/zinc/31/66/73/356316673.db2.gz BMUXWQSXOIQVIH-MJBXVCDLSA-N 2 0 240.391 1.685 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000420289380 192202264 /nfs/dbraw/zinc/20/22/64/192202264.db2.gz KHDBFZVVMQEOIE-CHWSQXEVSA-N 2 0 227.396 1.387 20 0 BDADRP CC[NH+](CC)CCC[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000420292136 192203078 /nfs/dbraw/zinc/20/30/78/192203078.db2.gz LIAYPWNJKPNBJM-ZDUSSCGKSA-N 3 0 241.423 1.778 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)[C@@H](CN)C1 ZINC000420339705 192216437 /nfs/dbraw/zinc/21/64/37/192216437.db2.gz OVQAGXZEZBDVRJ-FRRDWIJNSA-N 2 0 225.380 1.045 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCO[C@H]2C)C1 ZINC000639510518 356343439 /nfs/dbraw/zinc/34/34/39/356343439.db2.gz BBRGJSVHTBKSRB-IHRRRGAJSA-N 2 0 240.391 1.685 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000420310800 192210082 /nfs/dbraw/zinc/21/00/82/192210082.db2.gz QDSQXBGPDBKOLV-OLZOCXBDSA-N 2 0 227.396 1.387 20 0 BDADRP CCOC(=O)CC[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000420309424 192210450 /nfs/dbraw/zinc/21/04/50/192210450.db2.gz LKJXFYDFEIJAPC-LLVKDONJSA-N 2 0 228.336 1.014 20 0 BDADRP C(C[N@@H+]1CCOC[C@@H]1C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000420368359 192225763 /nfs/dbraw/zinc/22/57/63/192225763.db2.gz WQNQGCFSEBCILI-GXTWGEPZSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@@]1(C[NH3+])CC[N@H+](CCCc2ccncc2)C1 ZINC000420321443 192227641 /nfs/dbraw/zinc/22/76/41/192227641.db2.gz VEBUIDVIILBPFB-AWEZNQCLSA-N 2 0 233.359 1.685 20 0 BDADRP C[C@@H]1C[C@H]([N@H+](C)CC[C@@H]2CC[NH2+]C2)CCN1C ZINC000420327758 192228852 /nfs/dbraw/zinc/22/88/52/192228852.db2.gz ZBLSQAVYBRERAR-HZSPNIEDSA-N 2 0 239.407 1.401 20 0 BDADRP c1cc(C2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)n[nH]1 ZINC000420327755 192228948 /nfs/dbraw/zinc/22/89/48/192228948.db2.gz ZAWIHTIRKQGJBO-LBPRGKRZSA-N 2 0 248.374 1.589 20 0 BDADRP COCCC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420324822 192229623 /nfs/dbraw/zinc/22/96/23/192229623.db2.gz HQDAAEHTFGVYSK-QWHCGFSZSA-N 2 0 226.364 1.344 20 0 BDADRP C[NH2+]CCCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000420357556 192219796 /nfs/dbraw/zinc/21/97/96/192219796.db2.gz IFPDKADRLJJJCZ-KGLIPLIRSA-N 2 0 239.407 1.543 20 0 BDADRP C(C[N@@H+]1CCOC[C@@H]1C1CC1)C1CC[NH2+]CC1 ZINC000420358892 192220662 /nfs/dbraw/zinc/22/06/62/192220662.db2.gz JTDRMCCHORUCKM-CQSZACIVSA-N 2 0 238.375 1.487 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CCc2cc(F)ccc2C1 ZINC000420359821 192221113 /nfs/dbraw/zinc/22/11/13/192221113.db2.gz KWORNAZLSHQKDQ-UHFFFAOYSA-N 2 0 238.306 1.159 20 0 BDADRP CC(C)OC(=O)CC[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000420360316 192222285 /nfs/dbraw/zinc/22/22/85/192222285.db2.gz LBBCJEUPSMFCRM-LLVKDONJSA-N 2 0 242.363 1.306 20 0 BDADRP CCC[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000420361620 192222329 /nfs/dbraw/zinc/22/23/29/192222329.db2.gz NIRMYEGPWGZLFX-UONOGXRCSA-N 2 0 240.391 1.877 20 0 BDADRP COCC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420383699 192235691 /nfs/dbraw/zinc/23/56/91/192235691.db2.gz DNRSSHIOGOYZMU-VXGBXAGGSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cncc(F)c1 ZINC000420395566 192236757 /nfs/dbraw/zinc/23/67/57/192236757.db2.gz DNHDBNUSQCZZTP-MNOVXSKESA-N 2 0 237.322 1.871 20 0 BDADRP C[NH2+]CCCN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420393805 192237452 /nfs/dbraw/zinc/23/74/52/192237452.db2.gz KACTVROZYLNKLE-CHWSQXEVSA-N 2 0 225.380 1.060 20 0 BDADRP CC[N@H+](CC[C@H]1CCC[NH+]1C)C[C@H](C)O ZINC000352203205 134102776 /nfs/dbraw/zinc/10/27/76/134102776.db2.gz PYECPSNHHZGBTR-NWDGAFQWSA-N 2 0 214.353 1.173 20 0 BDADRP COC[C@@H](NC[C@@H](C)[NH3+])c1ccc(F)c(F)c1 ZINC000420406364 192238953 /nfs/dbraw/zinc/23/89/53/192238953.db2.gz NTWVGPTZIFWYCO-PRHODGIISA-N 2 0 244.285 1.589 20 0 BDADRP CC(C)[C@H]1CCCC[C@@H]1[NH2+]CCOCC[NH3+] ZINC000420408185 192239030 /nfs/dbraw/zinc/23/90/30/192239030.db2.gz PDNFJNUXCUAFFP-OLZOCXBDSA-N 2 0 228.380 1.766 20 0 BDADRP C[C@H]1CC[N@H+](CCOCC(F)F)C[C@@H]1C[NH3+] ZINC000420408513 192240055 /nfs/dbraw/zinc/24/00/55/192240055.db2.gz PHWKMMZBPMNWJK-UWVGGRQHSA-N 2 0 236.306 1.185 20 0 BDADRP COCCC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420374354 192231318 /nfs/dbraw/zinc/23/13/18/192231318.db2.gz NPVKMLVJOZFBRW-LBPRGKRZSA-N 2 0 212.337 1.098 20 0 BDADRP c1c[nH]c([C@H]2CCC[N@H+]2CCC2CC[NH2+]CC2)n1 ZINC000420376613 192232167 /nfs/dbraw/zinc/23/21/67/192232167.db2.gz QVBOSSFXYARSDZ-CYBMUJFWSA-N 2 0 248.374 1.936 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414919613 491092291 /nfs/dbraw/zinc/09/22/91/491092291.db2.gz VHCAIDWSDURPOJ-SDDRHHMPSA-N 2 0 213.369 1.219 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@H]2C[C@@H](O)C2)C[C@H]1C ZINC000420917782 192273155 /nfs/dbraw/zinc/27/31/55/192273155.db2.gz UBMCZXRWUHQAEV-SYQHCUMBSA-N 2 0 240.391 1.562 20 0 BDADRP Cn1cncc1CN1CCC2(CCC[N@@H+]2C)CC1 ZINC000336176424 134117128 /nfs/dbraw/zinc/11/71/28/134117128.db2.gz XBQIXRUUJOPHMX-UHFFFAOYSA-N 2 0 248.374 1.480 20 0 BDADRP CN(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@@H+]1C ZINC000420995707 192295053 /nfs/dbraw/zinc/29/50/53/192295053.db2.gz DWUJIIIQMQCYJZ-AWEZNQCLSA-N 2 0 239.407 1.498 20 0 BDADRP CN(CC[C@@H]1CCC[N@@H+]1C)C[C@H]1CCC[NH+]1C ZINC000420993787 192291966 /nfs/dbraw/zinc/29/19/66/192291966.db2.gz BDCJBOCCZPGWDC-UONOGXRCSA-N 2 0 239.407 1.497 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@@]12CCOC2 ZINC000421018626 192305017 /nfs/dbraw/zinc/30/50/17/192305017.db2.gz LFBGHOQLUHQVBQ-ZDUSSCGKSA-N 2 0 226.364 1.583 20 0 BDADRP CCc1nc(CC[NH2+][C@H](C)C[C@H](C)[NH3+])cs1 ZINC000422901180 192513135 /nfs/dbraw/zinc/51/31/35/192513135.db2.gz KNULCRXEBGQPEF-VHSXEESVSA-N 2 0 241.404 1.963 20 0 BDADRP C[C@H](C[C@H]1CCCO1)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422900940 192513312 /nfs/dbraw/zinc/51/33/12/192513312.db2.gz KJUYHTWXNQQSSY-NNYUYHANSA-N 2 0 214.353 1.659 20 0 BDADRP CC[C@H](CCO)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422979574 192516200 /nfs/dbraw/zinc/51/62/00/192516200.db2.gz NCDNNAVFVFUYPI-MOENNCHZSA-N 2 0 214.353 1.255 20 0 BDADRP C[C@H]([NH2+]CC1(CCO)CCC1)[C@@H]1CCC[NH2+]1 ZINC000422989205 192518862 /nfs/dbraw/zinc/51/88/62/192518862.db2.gz KUPAWJRMHXBUCV-RYUDHWBXSA-N 2 0 226.364 1.269 20 0 BDADRP Cc1ccsc1[C@@H](CO)[NH2+][C@H](C)CCC[NH3+] ZINC000422985765 192519402 /nfs/dbraw/zinc/51/94/02/192519402.db2.gz AGHXLRPXTORIRH-GHMZBOCLSA-N 2 0 242.388 1.807 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423034482 192547152 /nfs/dbraw/zinc/54/71/52/192547152.db2.gz QHJUUAMGWZLKKD-JYBOHDQNSA-N 2 0 214.353 1.253 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1NCC1([NH+](C)C)CCC1 ZINC000423063197 192556695 /nfs/dbraw/zinc/55/66/95/192556695.db2.gz VXVFOPFWRJGLMK-VXGBXAGGSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCCC[C@@H]1O ZINC000423061420 192556822 /nfs/dbraw/zinc/55/68/22/192556822.db2.gz KTBFDPOZLOTSKL-RCWTZXSCSA-N 2 0 200.326 1.005 20 0 BDADRP CO[C@@H](C)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756230 356660721 /nfs/dbraw/zinc/66/07/21/356660721.db2.gz RWNUOESKBDQWFA-LBPRGKRZSA-N 2 0 226.364 1.439 20 0 BDADRP C[NH+]1CCC2(CC[N@H+](CCc3cn[nH]c3)C2)CC1 ZINC000639755429 356659477 /nfs/dbraw/zinc/65/94/77/356659477.db2.gz KYZMQRIFDLFRPI-UHFFFAOYSA-N 2 0 248.374 1.370 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCC1(F)CCC1 ZINC000423127301 192577922 /nfs/dbraw/zinc/57/79/22/192577922.db2.gz PFPGKQRXDLECKQ-UWVGGRQHSA-N 2 0 202.317 1.984 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@@H]2CCOC[C@H]2C)CC1 ZINC000353987221 356727521 /nfs/dbraw/zinc/72/75/21/356727521.db2.gz ODKGYFREGISMJZ-OLZOCXBDSA-N 2 0 240.391 1.733 20 0 BDADRP COC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623335387 356717192 /nfs/dbraw/zinc/71/71/92/356717192.db2.gz KXDIYPHACVHTLS-WDEREUQCSA-N 2 0 214.353 1.484 20 0 BDADRP CO[C@@H]1COCC[C@H]1C[NH2+][C@H](C)CCCC[NH3+] ZINC000423151565 192591800 /nfs/dbraw/zinc/59/18/00/192591800.db2.gz CRPNKTRLEOWRCQ-FRRDWIJNSA-N 2 0 244.379 1.145 20 0 BDADRP CCC[C@H](O)C[N@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000450466514 202174770 /nfs/dbraw/zinc/17/47/70/202174770.db2.gz JACQOPFKICKVFS-XQQFMLRXSA-N 2 0 228.380 1.562 20 0 BDADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@H](C)CCC[NH3+])C1 ZINC000423157059 192595511 /nfs/dbraw/zinc/59/55/11/192595511.db2.gz ABILQAIAQFENMX-UTUOFQBUSA-N 2 0 214.353 1.659 20 0 BDADRP CC(C)C[C@@H](CO)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623373039 356882282 /nfs/dbraw/zinc/88/22/82/356882282.db2.gz PWJYBYKMORFPNM-STQMWFEESA-N 2 0 242.407 1.856 20 0 BDADRP C[C@@H](CO)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623373570 356884940 /nfs/dbraw/zinc/88/49/40/356884940.db2.gz DIGIYVSWZIKKHW-GHMZBOCLSA-N 2 0 214.353 1.077 20 0 BDADRP C[C@@H](CO)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623373571 356884957 /nfs/dbraw/zinc/88/49/57/356884957.db2.gz DIGIYVSWZIKKHW-MNOVXSKESA-N 2 0 214.353 1.077 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+]C2CCC(C[NH3+])CC2)[C@H](C)O1 ZINC000423176923 192610868 /nfs/dbraw/zinc/61/08/68/192610868.db2.gz GPKQJKYXUCUEGB-IGYKFCIQSA-N 2 0 240.391 1.907 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(C)C2)CCN1C ZINC000155852374 538738008 /nfs/dbraw/zinc/73/80/08/538738008.db2.gz SHHXUIADCBGTDB-JHJVBQTASA-N 2 0 225.380 1.153 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(C)C2)CCN1C ZINC000155852596 538738145 /nfs/dbraw/zinc/73/81/45/538738145.db2.gz SHHXUIADCBGTDB-FRRDWIJNSA-N 2 0 225.380 1.153 20 0 BDADRP COC[C@@H](C)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623378122 356900119 /nfs/dbraw/zinc/90/01/19/356900119.db2.gz UBVFRIZSMFIZQK-NWDGAFQWSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NCCC[NH3+] ZINC000389783437 357031338 /nfs/dbraw/zinc/03/13/38/357031338.db2.gz JSTMEGMHFJWMSC-HIFRSBDPSA-N 2 0 247.386 1.445 20 0 BDADRP C[C@H](C[NH3+])N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000389788443 357032378 /nfs/dbraw/zinc/03/23/78/357032378.db2.gz NSMTXEWTVCRCMK-GUTXKFCHSA-N 2 0 247.386 1.444 20 0 BDADRP CCC[C@H]([NH2+]CCN1CC[NH2+]CC1)C(C)(C)C ZINC000423211750 192628925 /nfs/dbraw/zinc/62/89/25/192628925.db2.gz YTJUIAYAZSSGSU-ZDUSSCGKSA-N 2 0 241.423 1.696 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)[C@@H]1C ZINC000389614524 357003156 /nfs/dbraw/zinc/00/31/56/357003156.db2.gz FYIKYOYKFABFGN-NDBYEHHHSA-N 2 0 210.365 1.962 20 0 BDADRP C(C[C@H]1CC[NH2+]C1)[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000423238698 192646152 /nfs/dbraw/zinc/64/61/52/192646152.db2.gz AQZPPFSDDBEEGP-WXHSDQCUSA-N 2 0 208.349 1.764 20 0 BDADRP CC[C@@H](O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000303984231 357155335 /nfs/dbraw/zinc/15/53/35/357155335.db2.gz HPGWBEICZFGRNS-CYBMUJFWSA-N 2 0 228.380 1.421 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000665282917 491107957 /nfs/dbraw/zinc/10/79/57/491107957.db2.gz DWSHDBIXRVHROF-UPJWGTAASA-N 2 0 227.396 1.467 20 0 BDADRP CC[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)[C@@H]1CCOC1 ZINC000423264754 192658808 /nfs/dbraw/zinc/65/88/08/192658808.db2.gz YWSJNTSXXFXXRZ-MCIONIFRSA-N 2 0 240.391 1.781 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@H]2CCCC[C@@H]2O)C1 ZINC000393337402 357281937 /nfs/dbraw/zinc/28/19/37/357281937.db2.gz UIRILFSMGCTAND-MJBXVCDLSA-N 2 0 240.391 1.469 20 0 BDADRP C[N@@H+]1CCCC[C@H](C[NH2+]CC[C@@H]2CCOC2)C1 ZINC000628425601 357252322 /nfs/dbraw/zinc/25/23/22/357252322.db2.gz PWYMOGDTZQRBQG-ZIAGYGMSSA-N 2 0 240.391 1.735 20 0 BDADRP CC[C@@H]([NH2+]CC1CC[NH2+]CC1)c1cnn(C)c1 ZINC000582600337 357347525 /nfs/dbraw/zinc/34/75/25/357347525.db2.gz UAAFGMDAHSGGOU-CYBMUJFWSA-N 2 0 236.363 1.460 20 0 BDADRP CCC([NH3+])(CC)CN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423290566 192682713 /nfs/dbraw/zinc/68/27/13/192682713.db2.gz DNUMWODLARAGHB-NWDGAFQWSA-N 2 0 227.396 1.624 20 0 BDADRP CCCC[C@@H](CN)[NH2+][C@@H](C)CCCC[NH3+] ZINC000423298561 192688151 /nfs/dbraw/zinc/68/81/51/192688151.db2.gz ONTXMEUURLBYGR-RYUDHWBXSA-N 2 0 215.385 1.611 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C(=O)N(C)[C@H]2CC[NH2+]C2)cc1 ZINC000582899626 357424987 /nfs/dbraw/zinc/42/49/87/357424987.db2.gz PMJAWJZTABSVMT-MFKMUULPSA-N 2 0 247.342 1.140 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000583085594 357475120 /nfs/dbraw/zinc/47/51/20/357475120.db2.gz IYTACWBCYNUJKQ-MEWQQHAOSA-N 2 0 241.379 1.136 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000230469254 357525983 /nfs/dbraw/zinc/52/59/83/357525983.db2.gz ISVKQXOOKVTEDQ-CHWSQXEVSA-N 2 0 228.380 1.515 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCC[C@@H]1C ZINC000230659278 357546402 /nfs/dbraw/zinc/54/64/02/357546402.db2.gz SXXDTJXAJIEUQK-AVGNSLFASA-N 2 0 228.380 1.766 20 0 BDADRP COC1CC([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000230675926 357549265 /nfs/dbraw/zinc/54/92/65/357549265.db2.gz ALDXNUPTUNRCHO-GMKTYKIGSA-N 2 0 224.348 1.380 20 0 BDADRP COC1CC([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000230675921 357549505 /nfs/dbraw/zinc/54/95/05/357549505.db2.gz ALDXNUPTUNRCHO-CQLXCSJHSA-N 2 0 224.348 1.380 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000361152633 538867919 /nfs/dbraw/zinc/86/79/19/538867919.db2.gz JZFIPTHVXPAWAR-IHRRRGAJSA-N 2 0 241.423 1.647 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCc2cscn2)CC[N@@H+]1C ZINC000158882524 538869816 /nfs/dbraw/zinc/86/98/16/538869816.db2.gz CUMQIWGKGCUHRH-QWRGUYRKSA-N 2 0 239.388 1.758 20 0 BDADRP CC(C)(C)[C@@H](CCO)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000231073459 357597527 /nfs/dbraw/zinc/59/75/27/357597527.db2.gz BYXLUQJZZAWCBR-VXGBXAGGSA-N 2 0 228.380 1.515 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)C1(C)C ZINC000233745864 357742448 /nfs/dbraw/zinc/74/24/48/357742448.db2.gz MIILQXHYHDTKML-IJLUTSLNSA-N 2 0 228.380 1.763 20 0 BDADRP CC[NH+](CC)CCCN1CCC([NH+](C)C)CC1 ZINC000191436369 357770307 /nfs/dbraw/zinc/77/03/07/357770307.db2.gz SLMDNIUQGZXXSN-UHFFFAOYSA-N 2 0 241.423 1.744 20 0 BDADRP C[NH+]1CCC(CC[NH2+]C2CCC(O)CC2)CC1 ZINC000234322454 357800869 /nfs/dbraw/zinc/80/08/69/357800869.db2.gz HLNFZQPACKYGHH-UHFFFAOYSA-N 2 0 240.391 1.611 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]Cc1cscc1C ZINC000234796880 357828595 /nfs/dbraw/zinc/82/85/95/357828595.db2.gz WPXRSKOTMVNROL-LBPRGKRZSA-N 2 0 242.388 1.900 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CC1(C2CC2)CC1 ZINC000234780880 357828729 /nfs/dbraw/zinc/82/87/29/357828729.db2.gz WVJOEZAEBIJXJS-LBPRGKRZSA-N 2 0 226.364 1.520 20 0 BDADRP CCC[C@H](O)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623416040 357828765 /nfs/dbraw/zinc/82/87/65/357828765.db2.gz GTKLDSLCUREWKI-RYUDHWBXSA-N 2 0 228.380 1.610 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1sccc1C ZINC000234734837 357833947 /nfs/dbraw/zinc/83/39/47/357833947.db2.gz MFONHHXHLUJQBY-LLVKDONJSA-N 2 0 242.388 1.900 20 0 BDADRP COCC[N@H+](C)CCCNc1cc[nH+]cc1C ZINC000192494162 357835868 /nfs/dbraw/zinc/83/58/68/357835868.db2.gz RLYCPGOUNNKKBH-UHFFFAOYSA-N 2 0 237.347 1.770 20 0 BDADRP CC(C)[NH2+]CCCN[C@H](C)C[C@@H](C)[NH3+] ZINC000584404661 357912579 /nfs/dbraw/zinc/91/25/79/357912579.db2.gz JITAAVAFZPZJHW-GHMZBOCLSA-N 2 0 201.358 1.090 20 0 BDADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)[C@H](C)O ZINC000583807825 357954916 /nfs/dbraw/zinc/95/49/16/357954916.db2.gz CRPSNSWLSHTVHL-MNOVXSKESA-N 2 0 214.353 1.220 20 0 BDADRP CC(C)CN(CC[NH+](C)C)CC[NH+](C)C ZINC000583839553 357969321 /nfs/dbraw/zinc/96/93/21/357969321.db2.gz NJXROYJCXUIGNX-UHFFFAOYSA-N 2 0 215.385 1.068 20 0 BDADRP CC(C)[C@H](c1nc(C2([NH3+])CCC2)no1)[C@@H](C)[NH3+] ZINC000584469456 357989750 /nfs/dbraw/zinc/98/97/50/357989750.db2.gz GEGNOACNLCUALP-BDAKNGLRSA-N 2 0 238.335 1.494 20 0 BDADRP Cc1nn(C)cc1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000168681429 134241811 /nfs/dbraw/zinc/24/18/11/134241811.db2.gz YFFBARRGKHVFLG-WCQYABFASA-N 2 0 236.363 1.336 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@@H]1CCC[NH2+]CC1 ZINC000168705051 134246420 /nfs/dbraw/zinc/24/64/20/134246420.db2.gz POGIJXCSSGIMQV-CHWSQXEVSA-N 2 0 225.380 1.202 20 0 BDADRP CS[C@@H](C)C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000169087085 134249187 /nfs/dbraw/zinc/24/91/87/134249187.db2.gz IGANERBFIMBAMH-VHSXEESVSA-N 2 0 202.367 1.470 20 0 BDADRP CCC1([NH+](C)C)CC[NH+](C[C@H](C)CO)CC1 ZINC000640018241 358080632 /nfs/dbraw/zinc/08/06/32/358080632.db2.gz YDLMWBAVELQVGC-LBPRGKRZSA-N 2 0 228.380 1.421 20 0 BDADRP CCC([NH3+])(CC)CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000584851188 358209416 /nfs/dbraw/zinc/20/94/16/358209416.db2.gz VWYOKCZQTACSCF-MNOVXSKESA-N 3 0 213.369 1.363 20 0 BDADRP C[C@]1(CN2CC[C@@H]([NH+]3CCCC3)C2)CC[NH2+]C1 ZINC000222899400 358213316 /nfs/dbraw/zinc/21/33/16/358213316.db2.gz ZFYSUVJOGOHCAH-KGLIPLIRSA-N 2 0 237.391 1.156 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCOC1 ZINC000222813372 358213444 /nfs/dbraw/zinc/21/34/44/358213444.db2.gz VEAWRATWVCGNFD-IRCOFANPSA-N 2 0 212.337 1.271 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](CO)Cc2ccccc2)C1 ZINC000223009706 358214000 /nfs/dbraw/zinc/21/40/00/358214000.db2.gz FSDRREZNGRPVKW-QLFBSQMISA-N 2 0 248.370 1.450 20 0 BDADRP C[C@H](Cn1ccnc1)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000222960770 358216280 /nfs/dbraw/zinc/21/62/80/358216280.db2.gz VSTDPPHDIZVPOP-IJLUTSLNSA-N 2 0 222.336 1.131 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C2CCOCC2)C1 ZINC000040622692 358244509 /nfs/dbraw/zinc/24/45/09/358244509.db2.gz GNJURWCLBHNZLO-LBPRGKRZSA-N 2 0 226.364 1.485 20 0 BDADRP CC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000040802599 358246931 /nfs/dbraw/zinc/24/69/31/358246931.db2.gz IIOAJCGKAXNRHC-OLZOCXBDSA-N 2 0 249.358 1.143 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@H](C)[C@@H](C)CO ZINC000450736817 202250445 /nfs/dbraw/zinc/25/04/45/202250445.db2.gz GXEIUIAWIHMJPE-RYUDHWBXSA-N 2 0 216.369 1.325 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)CC[NH2+]C2CC2)c1 ZINC000578205101 366388692 /nfs/dbraw/zinc/38/86/92/366388692.db2.gz HHSZNHPQJRUZBV-UHFFFAOYSA-N 2 0 247.342 1.487 20 0 BDADRP CC(C)(CCO)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000227905692 358365990 /nfs/dbraw/zinc/36/59/90/358365990.db2.gz KUBVSPNWFAVNAL-QWRGUYRKSA-N 2 0 214.353 1.255 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)C(=O)NC(C)(C)C ZINC000228963953 358386916 /nfs/dbraw/zinc/38/69/16/358386916.db2.gz OYTLREYAXMDMPY-AXFHLTTASA-N 2 0 241.379 1.149 20 0 BDADRP CS[C@H](C)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000228898514 358387219 /nfs/dbraw/zinc/38/72/19/358387219.db2.gz KJTKHHLAGNVZHT-OPRDCNLKSA-N 2 0 202.367 1.597 20 0 BDADRP C[C@H](O)C[C@H](C)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623427856 358435333 /nfs/dbraw/zinc/43/53/33/358435333.db2.gz PFJPPHJUBNDYFK-AVGNSLFASA-N 2 0 242.407 1.856 20 0 BDADRP C[C@H]1CC[N@H+](CCNC2CC[NH+](C)CC2)C1 ZINC000309423210 358544269 /nfs/dbraw/zinc/54/42/69/358544269.db2.gz KASBFSVLDIUYQN-LBPRGKRZSA-N 2 0 225.380 1.012 20 0 BDADRP CCC[C@@H](C)[NH2+]CCOCC[NH+](C)C ZINC000219321797 134281386 /nfs/dbraw/zinc/28/13/86/134281386.db2.gz NYZMAAPAWDSTJV-LLVKDONJSA-N 2 0 202.342 1.343 20 0 BDADRP C[C@@H](O)CCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000045620184 358563241 /nfs/dbraw/zinc/56/32/41/358563241.db2.gz NNRNLTQANSDTBM-GFCCVEGCSA-N 2 0 228.380 1.421 20 0 BDADRP CCN1CCC([N@H+](C)CCC[C@@H](C)O)CC1 ZINC000045620275 358563746 /nfs/dbraw/zinc/56/37/46/358563746.db2.gz ZNUNBORTLPUJQW-GFCCVEGCSA-N 2 0 228.380 1.564 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@H]2CCCCO2)CC1 ZINC000049855617 358703990 /nfs/dbraw/zinc/70/39/90/358703990.db2.gz GKOLXZHCZJBVNN-CYBMUJFWSA-N 2 0 226.364 1.629 20 0 BDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCn1cccn1 ZINC000133302132 358750691 /nfs/dbraw/zinc/75/06/91/358750691.db2.gz VYPSDHZSHSBOAV-GFCCVEGCSA-N 2 0 224.352 1.188 20 0 BDADRP [NH3+][C@H]1CCN(CCCOc2ccccc2)C1 ZINC000050243302 358721303 /nfs/dbraw/zinc/72/13/03/358721303.db2.gz AMXHWTAAMKNNAO-LBPRGKRZSA-N 2 0 220.316 1.489 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](CCCOCC(F)(F)F)C1 ZINC000050249416 358722228 /nfs/dbraw/zinc/72/22/28/358722228.db2.gz OFEYTMNGBFSPDY-SECBINFHSA-N 2 0 240.269 1.236 20 0 BDADRP COCC[C@H](C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000081706956 491136208 /nfs/dbraw/zinc/13/62/08/491136208.db2.gz DVQNKOVGBURHRM-NWDGAFQWSA-N 2 0 228.380 1.731 20 0 BDADRP COc1ccc(OC)c(C[NH2+][C@H](C)CC[NH3+])c1 ZINC000136136356 358865417 /nfs/dbraw/zinc/86/54/17/358865417.db2.gz HOWJTKCBLDDONX-SNVBAGLBSA-N 2 0 238.331 1.531 20 0 BDADRP COc1ccc(C[NH2+]CC2CC[NH+](C)CC2)cn1 ZINC000054240375 358856613 /nfs/dbraw/zinc/85/66/13/358856613.db2.gz WEKMXUBJONHLSC-UHFFFAOYSA-N 2 0 249.358 1.522 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCC[C@H]2O)C1 ZINC000086404550 358968234 /nfs/dbraw/zinc/96/82/34/358968234.db2.gz DHBJHRDCXHSDCT-WUHRBBMRSA-N 2 0 226.364 1.397 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCCC[NH2+]1 ZINC000578348578 366532550 /nfs/dbraw/zinc/53/25/50/366532550.db2.gz AHSYPFYPJULYFM-FQUUOJAGSA-N 3 0 239.407 1.624 20 0 BDADRP C[C@@H]([N@H+](C)CCOCC[NH3+])C(C)(C)C ZINC000086435562 358976681 /nfs/dbraw/zinc/97/66/81/358976681.db2.gz LZMFFNNFWSKKFN-SNVBAGLBSA-N 2 0 202.342 1.328 20 0 BDADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)C1CC1 ZINC000177322467 134299552 /nfs/dbraw/zinc/29/95/52/134299552.db2.gz WANFCZNGEIZNHA-GXTWGEPZSA-N 2 0 240.391 1.611 20 0 BDADRP CC(C)[C@H](CCO)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623432513 358943389 /nfs/dbraw/zinc/94/33/89/358943389.db2.gz VUACWTPHYDPQHS-STQMWFEESA-N 2 0 242.407 1.856 20 0 BDADRP COC(=O)CCC[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069724240 359032807 /nfs/dbraw/zinc/03/28/07/359032807.db2.gz WTZFHDUINBGSIE-LLVKDONJSA-N 2 0 228.336 1.000 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H]2CCCOC2)CC1 ZINC000071011016 359069952 /nfs/dbraw/zinc/06/99/52/359069952.db2.gz XBBIQDNBHIVISU-CYBMUJFWSA-N 2 0 226.364 1.629 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cnccn1 ZINC000070479536 359057381 /nfs/dbraw/zinc/05/73/81/359057381.db2.gz VPGYIVFJRYIWBN-NSHDSACASA-N 2 0 234.347 1.469 20 0 BDADRP COCCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247932252 359250318 /nfs/dbraw/zinc/25/03/18/359250318.db2.gz CDLYIXOXIZCYQS-QWHCGFSZSA-N 2 0 226.364 1.439 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1cnn(C)c1 ZINC000423491821 192793514 /nfs/dbraw/zinc/79/35/14/192793514.db2.gz KLHXIISJAQPDCN-UHTWSYAYSA-N 2 0 236.363 1.588 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423466478 192783029 /nfs/dbraw/zinc/78/30/29/192783029.db2.gz AQFAYUIYCSRLSW-TUAOUCFPSA-N 2 0 214.353 1.532 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CCCF)CC1(C)C ZINC000623453484 359452278 /nfs/dbraw/zinc/45/22/78/359452278.db2.gz RAKAWVOEHQHVQC-JTQLQIEISA-N 2 0 202.317 1.808 20 0 BDADRP CC[C@H]([NH3+])CN[C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423477363 192788050 /nfs/dbraw/zinc/78/80/50/192788050.db2.gz TVZWZLYEXWWADL-KWCYVHTRSA-N 2 0 235.375 1.272 20 0 BDADRP C[C@H]([NH3+])c1ccc(C(=O)NC(C)(C)CC[NH3+])cc1 ZINC000424054025 192857223 /nfs/dbraw/zinc/85/72/23/192857223.db2.gz PSUJQXGZQCCGLT-JTQLQIEISA-N 2 0 249.358 1.564 20 0 BDADRP CC[NH2+]Cc1cccc(NC(=O)[C@@H]2C[C@@H]2[NH3+])c1 ZINC000424054853 192856758 /nfs/dbraw/zinc/85/67/58/192856758.db2.gz BTSZLRWNBBNRAF-NEPJUHHUSA-N 2 0 233.315 1.082 20 0 BDADRP CCC[C@H](O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000450861100 202291951 /nfs/dbraw/zinc/29/19/51/202291951.db2.gz XVEWITVWLAMLRA-STQMWFEESA-N 2 0 228.380 1.564 20 0 BDADRP CC(C)[N@H+](C)Cc1ccccc1CNC(N)=[NH2+] ZINC000057888016 359788955 /nfs/dbraw/zinc/78/89/55/359788955.db2.gz GDCVVFVGVHZXGV-UHFFFAOYSA-N 2 0 234.347 1.510 20 0 BDADRP C[N@H+](CCCn1ccnc1)CC[C@H]1CC[NH2+]C1 ZINC000578514919 366586350 /nfs/dbraw/zinc/58/63/50/366586350.db2.gz CPMSCENXNJBPLH-CYBMUJFWSA-N 2 0 236.363 1.205 20 0 BDADRP CCN(CCC[NH+]1CCCCC1)C1COC1 ZINC000451281801 202395418 /nfs/dbraw/zinc/39/54/18/202395418.db2.gz AJTZQKMRLSOGNZ-UHFFFAOYSA-N 2 0 226.364 1.583 20 0 BDADRP CC[C@H]1[C@H](CO)CC[N@@H+]1CCC[NH+](CC)CC ZINC000451260884 202390461 /nfs/dbraw/zinc/39/04/61/202390461.db2.gz VDMSMDZFOJZUIJ-KBPBESRZSA-N 2 0 242.407 1.811 20 0 BDADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089147309 359993151 /nfs/dbraw/zinc/99/31/51/359993151.db2.gz DWTKUMFZKIOOQC-DZGCQCFKSA-N 2 0 248.370 1.955 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCCn1ccnc1 ZINC000089140804 359993187 /nfs/dbraw/zinc/99/31/87/359993187.db2.gz UFVNGOHDBHLISQ-STQMWFEESA-N 2 0 236.363 1.380 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1NCCC[NH+]1CCCCC1 ZINC000089147734 359994417 /nfs/dbraw/zinc/99/44/17/359994417.db2.gz IPFOZEKAYJUQQA-UONOGXRCSA-N 2 0 239.407 1.579 20 0 BDADRP Cc1n[nH]cc1CN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000092253948 360158985 /nfs/dbraw/zinc/15/89/85/360158985.db2.gz QUPGLXINIHYLSF-LBPRGKRZSA-N 2 0 236.363 1.492 20 0 BDADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCC[NH+](C)C ZINC000093496203 360251725 /nfs/dbraw/zinc/25/17/25/360251725.db2.gz SBRVSTGQLOILII-KBPBESRZSA-N 2 0 241.423 1.839 20 0 BDADRP C([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCOCC1 ZINC000094722681 360315849 /nfs/dbraw/zinc/31/58/49/360315849.db2.gz XTEDWMXYUTYEFX-KBPBESRZSA-N 2 0 238.375 1.629 20 0 BDADRP c1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c[nH]1 ZINC000094755096 360317301 /nfs/dbraw/zinc/31/73/01/360317301.db2.gz POERNKBEYIUTOD-CHWSQXEVSA-N 2 0 219.332 1.731 20 0 BDADRP CCC[C@H](CCO)[NH2+]Cc1cccc2nccn21 ZINC000631198278 360741227 /nfs/dbraw/zinc/74/12/27/360741227.db2.gz IHLNGBWBYXSRSL-GFCCVEGCSA-N 2 0 247.342 1.975 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC2(C)COC2)CC[N@@H+]1C ZINC000156307685 360963698 /nfs/dbraw/zinc/96/36/98/360963698.db2.gz IHBDRLDVNRTTAW-WDEREUQCSA-N 2 0 212.337 1.095 20 0 BDADRP C[C@@H]([NH2+]CC1(O)CCC1)C1CC[NH+](C)CC1 ZINC000133440151 491153623 /nfs/dbraw/zinc/15/36/23/491153623.db2.gz GFINJZVNMXZXQG-LLVKDONJSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@H]1CCCC[C@@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629388739 361035238 /nfs/dbraw/zinc/03/52/38/361035238.db2.gz WMZBNGQWFOQCQS-RYUDHWBXSA-N 2 0 226.364 1.663 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000629388726 361035468 /nfs/dbraw/zinc/03/54/68/361035468.db2.gz PFRRPFYLMRLMFJ-DEQVHRJGSA-N 2 0 237.391 1.199 20 0 BDADRP CC(C)[C@@H]1CCC[C@@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629389924 361036998 /nfs/dbraw/zinc/03/69/98/361036998.db2.gz XHGHCASDRDIMOE-STQMWFEESA-N 2 0 240.391 1.909 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000629390159 361037567 /nfs/dbraw/zinc/03/75/67/361037567.db2.gz LNTVBCYRECXNPB-FQUUOJAGSA-N 2 0 240.391 1.920 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000629388336 361040499 /nfs/dbraw/zinc/04/04/99/361040499.db2.gz MWGLVLGJINWPJN-YIYPIFLZSA-N 2 0 237.391 1.343 20 0 BDADRP CCC[C@@H](CC)[NH2+]CCOCC[NH2+]C ZINC000629392700 361042474 /nfs/dbraw/zinc/04/24/74/361042474.db2.gz SDRHQWQPJLYWFJ-LLVKDONJSA-N 2 0 202.342 1.391 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)CC1CCOCC1 ZINC000629390616 361044611 /nfs/dbraw/zinc/04/46/11/361044611.db2.gz VAPOENUXYIOUAR-KWCYVHTRSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]1CC([NH2+]CCOCCC[NH3+])C[C@@H](C)C1 ZINC000629398352 361049020 /nfs/dbraw/zinc/04/90/20/361049020.db2.gz BSAFLCOZRULZCO-RYUDHWBXSA-N 2 0 228.380 1.766 20 0 BDADRP CC[C@H]1CCC[C@H]([NH2+]CCOCC[NH2+]C)C1 ZINC000629404465 361049894 /nfs/dbraw/zinc/04/98/94/361049894.db2.gz NUIREOJJBIMSLK-STQMWFEESA-N 2 0 228.380 1.781 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H](C)CC1CC1 ZINC000629404414 361050092 /nfs/dbraw/zinc/05/00/92/361050092.db2.gz MCIPRQFNHRYSBR-JTQLQIEISA-N 2 0 200.326 1.001 20 0 BDADRP [NH3+]CCCOCC[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000629399658 361051023 /nfs/dbraw/zinc/05/10/23/361051023.db2.gz JRLBDRGAKZWZOK-KBPBESRZSA-N 2 0 240.391 1.910 20 0 BDADRP CC1(C)CCC[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629400372 361052150 /nfs/dbraw/zinc/05/21/50/361052150.db2.gz VMRLNTNJOJMDDH-LLVKDONJSA-N 2 0 214.353 1.520 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CCC(C)(C)C1 ZINC000629402738 361052856 /nfs/dbraw/zinc/05/28/56/361052856.db2.gz DSVVBOPKGKXHTH-LLVKDONJSA-N 2 0 214.353 1.391 20 0 BDADRP CC(C)[C@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)CCO1 ZINC000629408223 361057723 /nfs/dbraw/zinc/05/77/23/361057723.db2.gz RTQYRHJUXNEZBI-UMSGYPCISA-N 2 0 226.364 1.530 20 0 BDADRP CC(C)(C)[C@H]1CC[C@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629518660 361119248 /nfs/dbraw/zinc/11/92/48/361119248.db2.gz AOAJPGMKHNBFGF-NWDGAFQWSA-N 2 0 240.391 1.909 20 0 BDADRP C[NH2+]C[C@@H]1CCCN(Cc2cccnc2N)C1 ZINC000629507957 361102672 /nfs/dbraw/zinc/10/26/72/361102672.db2.gz MAFVTHDSHUXFSB-NSHDSACASA-N 2 0 234.347 1.095 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CC[C@@H]1CCCOC1 ZINC000629509692 361103593 /nfs/dbraw/zinc/10/35/93/361103593.db2.gz HWIQAIWKBWKLAY-QWHCGFSZSA-N 2 0 244.379 1.147 20 0 BDADRP CCO[C@@H](C[N@@H+]1CCC[C@@H](C[NH2+]C)C1)C1CC1 ZINC000629507241 361105865 /nfs/dbraw/zinc/10/58/65/361105865.db2.gz AVAOPDNTQNQSGO-JSGCOSHPSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cccnc2N)CC1 ZINC000629510210 361106943 /nfs/dbraw/zinc/10/69/43/361106943.db2.gz AXSRWRXDCYOVJY-SNVBAGLBSA-N 2 0 234.347 1.223 20 0 BDADRP CCO[C@H](C[NH+]1CCC([C@@H](C)[NH3+])CC1)C1CC1 ZINC000629514368 361110845 /nfs/dbraw/zinc/11/08/45/361110845.db2.gz XWLDLIAMZUDUNI-BXUZGUMPSA-N 2 0 240.391 1.861 20 0 BDADRP CCC[C@H](C[NH2+][C@@H](C)C1C[NH2+]C1)OCC ZINC000629515371 361113196 /nfs/dbraw/zinc/11/31/96/361113196.db2.gz QMQARVYDDHMVED-CMPLNLGQSA-N 2 0 214.353 1.389 20 0 BDADRP COCCC[C@@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000629516610 361115193 /nfs/dbraw/zinc/11/51/93/361115193.db2.gz LRKYDICIHOZKIR-NEPJUHHUSA-N 2 0 226.364 1.676 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CCCC[C@H]1C[NH3+] ZINC000629528141 361131666 /nfs/dbraw/zinc/13/16/66/361131666.db2.gz QFEJMSNECBCIMJ-ZDEQEGDKSA-N 2 0 225.380 1.234 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000629528205 361133127 /nfs/dbraw/zinc/13/31/27/361133127.db2.gz SKTPEZBYDVJPEQ-PDWCTOEPSA-N 3 0 237.391 1.105 20 0 BDADRP CC[C@H]([NH2+]CCOCC[NH2+]C)C(C)C ZINC000629528665 361136299 /nfs/dbraw/zinc/13/62/99/361136299.db2.gz GIOYXRQPDSCSNI-NSHDSACASA-N 2 0 202.342 1.247 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000629528722 361138195 /nfs/dbraw/zinc/13/81/95/361138195.db2.gz HRGOWARQWOFZMV-WFASDCNBSA-N 2 0 248.370 1.746 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000629528890 361138212 /nfs/dbraw/zinc/13/82/12/361138212.db2.gz MLBJTYLRZGPXCI-HNNXBMFYSA-N 2 0 248.370 1.808 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H]1CCC1(C)C ZINC000629531055 361145789 /nfs/dbraw/zinc/14/57/89/361145789.db2.gz YSQAWZJQSUDPEX-JTQLQIEISA-N 2 0 200.326 1.001 20 0 BDADRP CC[C@H]([NH2+]CCOCC[NH2+]C)[C@@H]1C[C@@H]1C ZINC000629531345 361149032 /nfs/dbraw/zinc/14/90/32/361149032.db2.gz HYIBHCVTVSFPQH-TUAOUCFPSA-N 2 0 214.353 1.247 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)[C@H]1CCOC1 ZINC000629526035 361126574 /nfs/dbraw/zinc/12/65/74/361126574.db2.gz JHVGZAISZYSROL-NOOOWODRSA-N 2 0 212.337 1.142 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000629525878 361127088 /nfs/dbraw/zinc/12/70/88/361127088.db2.gz FECOYQIYVAHWOS-MROQNXINSA-N 2 0 225.380 1.199 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](CCCCOC)C1 ZINC000158503567 361200487 /nfs/dbraw/zinc/20/04/87/361200487.db2.gz JXUMOQFWXQUDGE-LBPRGKRZSA-N 2 0 214.353 1.344 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000428307179 201007303 /nfs/dbraw/zinc/00/73/03/201007303.db2.gz SFWAGJYMWZZQQT-CQSZACIVSA-N 2 0 249.358 1.862 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CC1(F)F)[C@H]1CCC[NH2+]1 ZINC000622044023 370673120 /nfs/dbraw/zinc/67/31/20/370673120.db2.gz RXRHQXOXXRVJON-OPRDCNLKSA-N 2 0 218.291 1.762 20 0 BDADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC000622044989 370678104 /nfs/dbraw/zinc/67/81/04/370678104.db2.gz ZLVCZAUAKRZKFB-UWVGGRQHSA-N 3 0 236.363 1.237 20 0 BDADRP CC(C)n1ccc(C[C@H](C)[NH2+]CC[C@H](C)[NH3+])n1 ZINC000622045298 370679924 /nfs/dbraw/zinc/67/99/24/370679924.db2.gz LMKXQVNMMHKPLW-RYUDHWBXSA-N 2 0 238.379 1.722 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000428939605 201049343 /nfs/dbraw/zinc/04/93/43/201049343.db2.gz ATSIQQASPNAMQM-MDZLAQPJSA-N 2 0 241.379 1.008 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@H](C[NH+](C)C)C1 ZINC000191791013 361359141 /nfs/dbraw/zinc/35/91/41/361359141.db2.gz ZUSZAQRMMWTIPX-CQSZACIVSA-N 2 0 241.423 1.602 20 0 BDADRP CC[NH+](CC)CCC[N@H+](C)C[C@@H](C)C(=O)NC ZINC000191803919 361365913 /nfs/dbraw/zinc/36/59/13/361365913.db2.gz VXRTUGHRCZSSGY-GFCCVEGCSA-N 2 0 243.395 1.032 20 0 BDADRP CC[C@@H](C(=O)NC[C@H](C)C[NH2+]C)[NH+](CC)CC ZINC000429220708 201081851 /nfs/dbraw/zinc/08/18/51/201081851.db2.gz HLMXVKYWFXYIDV-NEPJUHHUSA-N 2 0 243.395 1.079 20 0 BDADRP [NH3+]CCCOCC[NH2+][C@@H]1CCc2ccccc21 ZINC000629536500 361398910 /nfs/dbraw/zinc/39/89/10/361398910.db2.gz FLKQTSBCGLQMEI-CQSZACIVSA-N 2 0 234.343 1.629 20 0 BDADRP CC[C@H](C[N@@H+]1CC[C@H](c2nccn2C)C1)OC ZINC000579369394 366771717 /nfs/dbraw/zinc/77/17/17/366771717.db2.gz BEPXPNWYRPTVHJ-NWDGAFQWSA-N 2 0 237.347 1.634 20 0 BDADRP CC[C@H]([NH2+]CCOCCC[NH3+])[C@H]1C[C@H]1C ZINC000629541265 361415455 /nfs/dbraw/zinc/41/54/55/361415455.db2.gz XKCMYRRYKSTLJA-WOPDTQHZSA-N 2 0 214.353 1.376 20 0 BDADRP C[C@H](N[C@H]1CC[C@@H](C)[NH2+]C1)[C@H]1CCCC[NH2+]1 ZINC000629540178 361407127 /nfs/dbraw/zinc/40/71/27/361407127.db2.gz NUSKBDNUIIQICJ-MROQNXINSA-N 2 0 225.380 1.247 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000629545043 361425008 /nfs/dbraw/zinc/42/50/08/361425008.db2.gz AMENRGXJWPAFKD-SAXRGWBVSA-N 2 0 238.375 1.532 20 0 BDADRP CCO[C@H](C[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1)C1CC1 ZINC000629545855 361427054 /nfs/dbraw/zinc/42/70/54/361427054.db2.gz AEDKFTGXJNPMPD-MJBXVCDLSA-N 2 0 238.375 1.615 20 0 BDADRP CCC[C@@H](O)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000133620565 491158117 /nfs/dbraw/zinc/15/81/17/491158117.db2.gz QVBHBICECHQEPC-WCQYABFASA-N 2 0 228.380 1.467 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000629546751 361429358 /nfs/dbraw/zinc/42/93/58/361429358.db2.gz HHIPOHBAVPYTQE-CYDGBPFRSA-N 2 0 224.348 1.271 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000629553628 361438749 /nfs/dbraw/zinc/43/87/49/361438749.db2.gz BULVSWBRPDLIMS-WYUUTHIRSA-N 2 0 212.337 1.128 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCCC12CC2)C1C[NH2+]C1 ZINC000629554413 361440363 /nfs/dbraw/zinc/44/03/63/361440363.db2.gz IENGDTLYYZPPGT-JQWIXIFHSA-N 2 0 208.349 1.764 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000629554344 361441573 /nfs/dbraw/zinc/44/15/73/361441573.db2.gz HVPVZQYEZCNOAX-RVMXOQNASA-N 2 0 226.364 1.389 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000629554500 361442329 /nfs/dbraw/zinc/44/23/29/361442329.db2.gz JXSXJRJQXVERBR-FIQHERPVSA-N 2 0 212.337 1.271 20 0 BDADRP CC[C@H](N[C@H]1CC[C@H](C)[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000629542369 361419239 /nfs/dbraw/zinc/41/92/39/361419239.db2.gz YDRTYBVHMWTNOX-CYDGBPFRSA-N 2 0 225.380 1.247 20 0 BDADRP CC[C@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000629542370 361419583 /nfs/dbraw/zinc/41/95/83/361419583.db2.gz YDRTYBVHMWTNOX-NDBYEHHHSA-N 2 0 225.380 1.247 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)CCCC(C)(C)C ZINC000629570935 361460691 /nfs/dbraw/zinc/46/06/91/361460691.db2.gz DVUNYOIGXJEJBU-UHFFFAOYSA-N 2 0 230.396 1.981 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)Cc1cccnc1C ZINC000629572183 361463923 /nfs/dbraw/zinc/46/39/23/361463923.db2.gz OGKJDTHDLCPOKO-UHFFFAOYSA-N 2 0 237.347 1.058 20 0 BDADRP C[N@H+](CCCc1ccsc1)CCOCC[NH3+] ZINC000629580478 361466278 /nfs/dbraw/zinc/46/62/78/361466278.db2.gz DEYNDAGAWOKBFB-UHFFFAOYSA-N 2 0 242.388 1.588 20 0 BDADRP CC(C)[C@@H]1C[C@H]1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629579820 361466448 /nfs/dbraw/zinc/46/64/48/361466448.db2.gz JIWAMCLDRFBLRB-MJBXVCDLSA-N 2 0 240.391 1.325 20 0 BDADRP C[N@H+](CCCC1CCCC1)CCOCC[NH3+] ZINC000629579939 361466474 /nfs/dbraw/zinc/46/64/74/361466474.db2.gz YRRIMKVTRSFDBO-UHFFFAOYSA-N 2 0 228.380 1.864 20 0 BDADRP C[C@H]1C[C@@H]1C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629593214 361484568 /nfs/dbraw/zinc/48/45/68/361484568.db2.gz ITGCTSFYSLNRGJ-QNWHQSFQSA-N 2 0 208.349 1.574 20 0 BDADRP CCN(CC[NH3+])CCOc1cccc(OC)c1 ZINC000629557663 361451236 /nfs/dbraw/zinc/45/12/36/361451236.db2.gz AZLJJHVWQYGEBO-UHFFFAOYSA-N 2 0 238.331 1.355 20 0 BDADRP [NH3+]C[C@H]1C[N@H+](CCCF)CC[C@H]1C(F)(F)F ZINC000629563359 361455507 /nfs/dbraw/zinc/45/55/07/361455507.db2.gz PKVORAMNVJSYNI-DTWKUNHWSA-N 2 0 242.260 1.805 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)Cc1cccc(C)c1 ZINC000629566245 361457441 /nfs/dbraw/zinc/45/74/41/361457441.db2.gz IRPXLOIUJQALDO-UHFFFAOYSA-N 2 0 236.359 1.663 20 0 BDADRP CC[C@H](C(=O)Nc1ccc([C@H](C)[NH3+])cc1)[NH+](C)C ZINC000629611692 361501826 /nfs/dbraw/zinc/50/18/26/361501826.db2.gz AHYHCULWSDVQLS-GXFFZTMASA-N 2 0 249.358 1.985 20 0 BDADRP CC[C@H]([NH2+]CCC[NH+](C)C)[C@H]1CCOC1 ZINC000151948460 201187071 /nfs/dbraw/zinc/18/70/71/201187071.db2.gz AJPIRVXVIHYVEJ-RYUDHWBXSA-N 2 0 214.353 1.343 20 0 BDADRP C[C@H]([NH2+]CCC[NH+](C)C)C1CCOCC1 ZINC000151966508 201187199 /nfs/dbraw/zinc/18/71/99/201187199.db2.gz QTPCEPYVEUHYMG-NSHDSACASA-N 2 0 214.353 1.343 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccn(C)c2)C1 ZINC000629651918 361557551 /nfs/dbraw/zinc/55/75/51/361557551.db2.gz OWBJRBUAMQXYDS-LBPRGKRZSA-N 2 0 221.348 1.457 20 0 BDADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccn(C)c1 ZINC000629646813 361535200 /nfs/dbraw/zinc/53/52/00/361535200.db2.gz FKIVJTRKMXXCJF-JQWIXIFHSA-N 2 0 207.321 1.194 20 0 BDADRP CC[C@H]1C[N@H+](CC2=CCCOC2)CC[C@H]1[NH3+] ZINC000629651959 361558951 /nfs/dbraw/zinc/55/89/51/361558951.db2.gz QREZDUXQSGYBRE-QWHCGFSZSA-N 2 0 224.348 1.392 20 0 BDADRP Cn1ccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)c1 ZINC000629655170 361559938 /nfs/dbraw/zinc/55/99/38/361559938.db2.gz SXYRWEDIYSNUFR-LBPRGKRZSA-N 2 0 207.321 1.196 20 0 BDADRP C[N@H+](CCn1cccn1)C[C@H]1CCC[NH+](C)C1 ZINC000152473598 201200742 /nfs/dbraw/zinc/20/07/42/201200742.db2.gz IWKXODZHAAUGPJ-ZDUSSCGKSA-N 2 0 236.363 1.157 20 0 BDADRP C[C@@H]1CC[N@H+](CC2=CCCOC2)C[C@@H]1C[NH3+] ZINC000629648570 361540500 /nfs/dbraw/zinc/54/05/00/361540500.db2.gz RBHWPXBGKKKSGC-YPMHNXCESA-N 2 0 224.348 1.250 20 0 BDADRP C[C@@H]1C[C@@H](C)[N@H+](CC2=CCCOC2)C[C@H]1C[NH3+] ZINC000629648518 361540598 /nfs/dbraw/zinc/54/05/98/361540598.db2.gz QAGRBFPZLNJKRV-YRGRVCCFSA-N 2 0 238.375 1.638 20 0 BDADRP [NH3+]CCCOCC[NH2+]Cc1cccc2c1NCC2 ZINC000629659556 361563415 /nfs/dbraw/zinc/56/34/15/361563415.db2.gz BWKJQQGRKPLOJO-UHFFFAOYSA-N 2 0 249.358 1.110 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629660096 361564437 /nfs/dbraw/zinc/56/44/37/361564437.db2.gz NSTSVWMHRQKPMB-GRYCIOLGSA-N 2 0 213.369 1.090 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccn(C)c1 ZINC000629649179 361543370 /nfs/dbraw/zinc/54/33/70/361543370.db2.gz KXWFITCPAPOYKJ-LLVKDONJSA-N 2 0 209.337 1.632 20 0 BDADRP COC1(C[NH2+][C@@H]2CC23CC[NH2+]CC3)CCCC1 ZINC000629649523 361544883 /nfs/dbraw/zinc/54/48/83/361544883.db2.gz UTFWYSORGLIDHX-GFCCVEGCSA-N 2 0 238.375 1.677 20 0 BDADRP Cn1ccc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000629649329 361545117 /nfs/dbraw/zinc/54/51/17/361545117.db2.gz PSMCCTCNMZXCEX-PWSUYJOCSA-N 2 0 207.321 1.242 20 0 BDADRP Cn1ccc(CN2C[C@@H]3CCC[C@]3([NH3+])C2)c1 ZINC000629649790 361546179 /nfs/dbraw/zinc/54/61/79/361546179.db2.gz GLXHJSRDRMHSFL-STQMWFEESA-N 2 0 219.332 1.338 20 0 BDADRP Cc1cnccc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000629650639 361547613 /nfs/dbraw/zinc/54/76/13/361547613.db2.gz YNFJFBAZTHWEHK-GHMZBOCLSA-N 2 0 207.321 1.605 20 0 BDADRP Cc1cnccc1C[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000629650164 361547727 /nfs/dbraw/zinc/54/77/27/361547727.db2.gz PRDUTSBQNKCWPO-CYBMUJFWSA-N 2 0 221.348 1.853 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccn(C)c2)CC1 ZINC000629652117 361549447 /nfs/dbraw/zinc/54/94/47/361549447.db2.gz WEFOJAPSEYAXRO-LLVKDONJSA-N 2 0 221.348 1.584 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@H+](CC2=CCCOC2)C1 ZINC000629652048 361550310 /nfs/dbraw/zinc/55/03/10/361550310.db2.gz UIPAMQPZPRFGEF-GFCCVEGCSA-N 2 0 224.348 1.265 20 0 BDADRP COC[C@H](C)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629661476 361594288 /nfs/dbraw/zinc/59/42/88/361594288.db2.gz BEOQXQCUDNLUEE-UPJWGTAASA-N 2 0 226.364 1.200 20 0 BDADRP C[C@H](C[NH2+]CCOCCC[NH3+])C(C)(C)C ZINC000629677711 361600352 /nfs/dbraw/zinc/60/03/52/361600352.db2.gz DVAQLGBFJCLJNH-LLVKDONJSA-N 2 0 216.369 1.624 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCOC2)CC[N@@H+]1C ZINC000153100258 201220146 /nfs/dbraw/zinc/22/01/46/201220146.db2.gz WRECUQSEKWUBPY-GRYCIOLGSA-N 2 0 212.337 1.095 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)C(C)(C)C ZINC000153778634 201250763 /nfs/dbraw/zinc/25/07/63/201250763.db2.gz QJEGBZODRWWAPN-LBPRGKRZSA-N 2 0 230.396 1.979 20 0 BDADRP c1ccc(OCCN(C2CC2)[C@@H]2CC[NH2+]C2)cc1 ZINC000435237771 201254917 /nfs/dbraw/zinc/25/49/17/201254917.db2.gz OOQJLDILVWBYHX-CQSZACIVSA-N 2 0 246.354 1.892 20 0 BDADRP CC[N@H+](CCOCC1CC1)[C@H]1CCC[NH2+]CC1 ZINC000435627463 201279014 /nfs/dbraw/zinc/27/90/14/201279014.db2.gz NOCXXTQTJYQDBR-AWEZNQCLSA-N 2 0 240.391 1.877 20 0 BDADRP [NH3+]C1CCC([NH2+][C@H](CO)CC2CCC2)CC1 ZINC000332455881 181342700 /nfs/dbraw/zinc/34/27/00/181342700.db2.gz HJVDSXLEAYWCCR-BPCQOVAHSA-N 2 0 226.364 1.397 20 0 BDADRP CC[NH+](CC)CC1CC[NH+](CCC[NH2+]C)CC1 ZINC000435881867 201296385 /nfs/dbraw/zinc/29/63/85/201296385.db2.gz WKKNQJXSWMESHV-UHFFFAOYSA-N 3 0 241.423 1.650 20 0 BDADRP CC[N@@H+]1CC[C@@H](N(C)CCC[NH2+]C)C[C@@H]1C ZINC000435878644 201293541 /nfs/dbraw/zinc/29/35/41/201293541.db2.gz DVKJYTYKYXNACJ-QWHCGFSZSA-N 2 0 227.396 1.401 20 0 BDADRP C[N@H+](CC[C@H]1CCOC1)CC1CC[NH+](C)CC1 ZINC000438117157 201393395 /nfs/dbraw/zinc/39/33/95/201393395.db2.gz UWOQQHQXGZCFLI-AWEZNQCLSA-N 2 0 240.391 1.687 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](CC[C@@H]2CCOC2)C1 ZINC000438090051 201386873 /nfs/dbraw/zinc/38/68/73/201386873.db2.gz ACUGZUOHKYGAMX-KGLIPLIRSA-N 2 0 240.391 1.687 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000422740578 541306569 /nfs/dbraw/zinc/30/65/69/541306569.db2.gz CAWDIWCTQFFDTI-MLGHIDQZSA-N 2 0 224.348 1.556 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000422740580 541306988 /nfs/dbraw/zinc/30/69/88/541306988.db2.gz CAWDIWCTQFFDTI-VEGXAWMVSA-N 2 0 224.348 1.556 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000422741419 541307118 /nfs/dbraw/zinc/30/71/18/541307118.db2.gz DMDNMNNICLFFJB-LBELIVKGSA-N 2 0 224.348 1.284 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2ccnc(Cl)c2)CC1 ZINC000052709638 181364976 /nfs/dbraw/zinc/36/49/76/181364976.db2.gz JZSZKMKJUQZRPD-UHFFFAOYSA-N 2 0 239.750 1.906 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2ccc(Cl)nc2)CC1 ZINC000044513438 181365486 /nfs/dbraw/zinc/36/54/86/181365486.db2.gz YVFYFDHSTYQBPX-UHFFFAOYSA-N 2 0 239.750 1.906 20 0 BDADRP [NH3+]CC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000019843241 181365831 /nfs/dbraw/zinc/36/58/31/181365831.db2.gz HWMBORXKBCINOU-UHFFFAOYSA-N 2 0 247.342 1.296 20 0 BDADRP COC[C@H](N[C@H]1CC[C@@H](C)[NH2+]C1)C(C)C ZINC000399034784 364737543 /nfs/dbraw/zinc/73/75/43/364737543.db2.gz NYTGSNGTZSYPCK-WOPDTQHZSA-N 2 0 214.353 1.388 20 0 BDADRP CC[NH2+]CCCN[C@H]1CCCC[C@H]1C[NH3+] ZINC000573315695 364795850 /nfs/dbraw/zinc/79/58/50/364795850.db2.gz SGHSHNBSTSLWTF-RYUDHWBXSA-N 2 0 213.369 1.093 20 0 BDADRP COC[C@@H](O)C[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000573317391 364796913 /nfs/dbraw/zinc/79/69/13/364796913.db2.gz HACZXDLIRONQDZ-ZDUSSCGKSA-N 2 0 246.395 1.092 20 0 BDADRP CC[N@@H+]1CC[C@@H](NC2CC[NH+](CC)CC2)C1 ZINC000336896600 364841759 /nfs/dbraw/zinc/84/17/59/364841759.db2.gz ODHGUKWVKYAIKN-CYBMUJFWSA-N 2 0 225.380 1.155 20 0 BDADRP C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCCC[NH2+]1 ZINC000333342309 541401458 /nfs/dbraw/zinc/40/14/58/541401458.db2.gz YJSAPJLKDFNBFJ-CYDGBPFRSA-N 2 0 225.380 1.377 20 0 BDADRP C(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)[C@@H]1CCCO1 ZINC000335011690 541419241 /nfs/dbraw/zinc/41/92/41/541419241.db2.gz XDYGYCZRKIBIQC-UONOGXRCSA-N 2 0 238.375 1.631 20 0 BDADRP [NH3+]CCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000034083719 181396514 /nfs/dbraw/zinc/39/65/14/181396514.db2.gz QNTIAYQLQVUIBY-UHFFFAOYSA-N 2 0 247.386 1.242 20 0 BDADRP CC(C)[C@](C)(C[NH3+])[NH2+]CCOC[C@@H]1CCCO1 ZINC000575060266 365182545 /nfs/dbraw/zinc/18/25/45/365182545.db2.gz ARJWHJYZKZGABV-STQMWFEESA-N 2 0 244.379 1.145 20 0 BDADRP C[C@H]1C[C@H]1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000443066968 193012086 /nfs/dbraw/zinc/01/20/86/193012086.db2.gz KMEAYPIKFMLVJT-STQMWFEESA-N 2 0 239.407 1.258 20 0 BDADRP C[C@H]1C[C@@H]1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000443066966 193012174 /nfs/dbraw/zinc/01/21/74/193012174.db2.gz KMEAYPIKFMLVJT-QWHCGFSZSA-N 2 0 239.407 1.258 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ccnc(N(C)C)n1 ZINC000443502025 193021726 /nfs/dbraw/zinc/02/17/26/193021726.db2.gz QNQUOYZULFPZCW-GHMZBOCLSA-N 2 0 249.362 1.071 20 0 BDADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)[C@H](C)O ZINC000575117115 365206832 /nfs/dbraw/zinc/20/68/32/365206832.db2.gz ZZUHPZZEQBCOOG-KGLIPLIRSA-N 2 0 242.407 1.857 20 0 BDADRP CC(C)[NH2+]CCCNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000575235944 365262981 /nfs/dbraw/zinc/26/29/81/365262981.db2.gz UUJVKIMQXXKXEW-GFCCVEGCSA-N 2 0 241.379 1.023 20 0 BDADRP COC[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000444589214 193051810 /nfs/dbraw/zinc/05/18/10/193051810.db2.gz AOZJLQLVALZDNP-CQSZACIVSA-N 2 0 240.391 1.831 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC000575182659 365231600 /nfs/dbraw/zinc/23/16/00/365231600.db2.gz GYPMSBSSPJOIDA-ZJUUUORDSA-N 2 0 246.314 1.190 20 0 BDADRP FCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000379810897 365277992 /nfs/dbraw/zinc/27/79/92/365277992.db2.gz AEXNQBKGJOZKJT-TUAOUCFPSA-N 2 0 214.328 1.856 20 0 BDADRP C[NH+](C)C[C@H]1CC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000172198234 365300651 /nfs/dbraw/zinc/30/06/51/365300651.db2.gz MAVGQAZEPRSWMW-OLZOCXBDSA-N 2 0 208.349 1.979 20 0 BDADRP C[C@H]([NH2+]CCc1ccc2c(c1)OCO2)C1C[NH2+]C1 ZINC000575373025 365303436 /nfs/dbraw/zinc/30/34/36/365303436.db2.gz XIMIKJTWDLLERO-JTQLQIEISA-N 2 0 248.326 1.155 20 0 BDADRP CCCC[N@H+](CCCO)CC[C@H]1CCC[NH+]1C ZINC000182165357 366871387 /nfs/dbraw/zinc/87/13/87/366871387.db2.gz RTFMKTIPWJRMFB-CQSZACIVSA-N 2 0 242.407 1.955 20 0 BDADRP CC[C@H](C)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000172694043 365374837 /nfs/dbraw/zinc/37/48/37/365374837.db2.gz UBVMIBOGMGJRFP-ZDUSSCGKSA-N 2 0 240.391 1.829 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000575935451 365422167 /nfs/dbraw/zinc/42/21/67/365422167.db2.gz UBRZNAFSSVLFIU-UONOGXRCSA-N 3 0 233.359 1.505 20 0 BDADRP CC(C)[NH2+]CCCN[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000575980127 365432425 /nfs/dbraw/zinc/43/24/25/365432425.db2.gz UTHDCHIRKXVEBU-JSGCOSHPSA-N 2 0 239.407 1.447 20 0 BDADRP CC1(C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)CC1 ZINC000576209783 365523429 /nfs/dbraw/zinc/52/34/29/365523429.db2.gz SFOUHMGSZSODBV-GFCCVEGCSA-N 2 0 249.362 1.174 20 0 BDADRP C[NH+](C)C1CCC([NH2+]CC2(F)CC2)CC1 ZINC000579698582 366981568 /nfs/dbraw/zinc/98/15/68/366981568.db2.gz MDVNYPHWHUYORU-UHFFFAOYSA-N 2 0 214.328 1.951 20 0 BDADRP C[C@@H]([NH2+]CCCO)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185709797 367140275 /nfs/dbraw/zinc/14/02/75/367140275.db2.gz BEJYEARRYAQAPZ-OLZOCXBDSA-N 2 0 240.391 1.611 20 0 BDADRP Cc1nccn1CCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000580963636 367220825 /nfs/dbraw/zinc/22/08/25/367220825.db2.gz VDDQLHKLHWDXDE-STQMWFEESA-N 2 0 236.363 1.441 20 0 BDADRP CCN(C)C[C@@H](O)C[N@H+](CC)C1CCCC1 ZINC000381085085 367349064 /nfs/dbraw/zinc/34/90/64/367349064.db2.gz SOXDMGXZWWIXMS-CYBMUJFWSA-N 2 0 228.380 1.564 20 0 BDADRP CC[C@H]1CCCC[N@@H+]1C[C@H](O)CN(C)CC ZINC000381090979 367350545 /nfs/dbraw/zinc/35/05/45/367350545.db2.gz VCWPMAWRHJOMDV-QWHCGFSZSA-N 2 0 228.380 1.564 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCOC2(C)C)C1 ZINC000381908680 367470019 /nfs/dbraw/zinc/47/00/19/367470019.db2.gz AIJVORZDXGFITB-NEPJUHHUSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NCC1([NH+](C)C)CCC1 ZINC000382842648 367563161 /nfs/dbraw/zinc/56/31/61/367563161.db2.gz WUNCLMALACLXMJ-OLZOCXBDSA-N 2 0 239.407 1.401 20 0 BDADRP CCC[C@@H](C)CN(CC[NH+](C)C)CC[NH+](C)C ZINC000565508302 325920660 /nfs/dbraw/zinc/92/06/60/325920660.db2.gz POXHOTFPOUCBAI-CQSZACIVSA-N 2 0 243.439 1.848 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(O)c1 ZINC000383635168 367646497 /nfs/dbraw/zinc/64/64/97/367646497.db2.gz AIQHEYSUTMGFEA-TZMCWYRMSA-N 2 0 234.343 1.999 20 0 BDADRP CC[C@@H]1[C@@H](C)CC[N@@H+]1CCOCC[NH3+] ZINC000384049127 367669237 /nfs/dbraw/zinc/66/92/37/367669237.db2.gz RTCBXWCUYYTDLR-WDEREUQCSA-N 2 0 200.326 1.082 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CC2CCC1CC2 ZINC000384179739 367674174 /nfs/dbraw/zinc/67/41/74/367674174.db2.gz YZDDZPNFGMZSRS-NWINJMCUSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000384279112 367681510 /nfs/dbraw/zinc/68/15/10/367681510.db2.gz AZNDCPASFFCDJR-UPJWGTAASA-N 2 0 240.391 1.610 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@@H](C)CCCO)CC1 ZINC000384296049 367683222 /nfs/dbraw/zinc/68/32/22/367683222.db2.gz AGVPJFXXTZNMMW-ZDUSSCGKSA-N 2 0 242.407 1.859 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2C[NH3+])[C@H](C)O1 ZINC000384714289 367718876 /nfs/dbraw/zinc/71/88/76/367718876.db2.gz GZPXOLGZGSELHY-ROHXPCBUSA-N 2 0 212.337 1.269 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@H](C)CC(C)(C)O)CC1 ZINC000384770175 367729848 /nfs/dbraw/zinc/72/98/48/367729848.db2.gz RQDZKXJTXLWHJC-GFCCVEGCSA-N 2 0 242.407 1.998 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)CC(C)(C)O)CC1 ZINC000384770177 367730189 /nfs/dbraw/zinc/73/01/89/367730189.db2.gz RQDZKXJTXLWHJC-LBPRGKRZSA-N 2 0 242.407 1.998 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)CC1 ZINC000384908618 367754229 /nfs/dbraw/zinc/75/42/29/367754229.db2.gz OJWFXGXJNNQBLO-SGMGOOAPSA-N 2 0 240.391 1.874 20 0 BDADRP CC[C@@H]1C[N@H+](Cc2ccncc2C)CC[C@H]1[NH3+] ZINC000385057078 367781002 /nfs/dbraw/zinc/78/10/02/367781002.db2.gz SJIQACVGYOZINR-TZMCWYRMSA-N 2 0 233.359 1.949 20 0 BDADRP CCn1cc(CN(C)C2(C[NH3+])CCC2)cn1 ZINC000385403042 367826821 /nfs/dbraw/zinc/82/68/21/367826821.db2.gz WVTKBSBEPZQQAW-UHFFFAOYSA-N 2 0 222.336 1.216 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CCOC1)[C@@H]1CCCC[NH2+]1 ZINC000386104479 367912576 /nfs/dbraw/zinc/91/25/76/367912576.db2.gz KISCTQCXYBDGDA-XQQFMLRXSA-N 2 0 226.364 1.533 20 0 BDADRP Cc1ccc(CN2CCN(C)C[C@@H]2C[NH3+])s1 ZINC000087613453 367917338 /nfs/dbraw/zinc/91/73/38/367917338.db2.gz SKHWWBKZXRXZJM-NSHDSACASA-N 2 0 239.388 1.131 20 0 BDADRP C[C@H]([NH2+]CC1(CCO)CC1)[C@H]1CCCC[NH2+]1 ZINC000385974070 367891781 /nfs/dbraw/zinc/89/17/81/367891781.db2.gz BUYWCTFLQQYIDD-NWDGAFQWSA-N 2 0 226.364 1.269 20 0 BDADRP C[C@H](NCC1([NH+](C)C)CCC1)[C@@H]1CCCC[NH2+]1 ZINC000385991379 367894152 /nfs/dbraw/zinc/89/41/52/367894152.db2.gz JCVLKBVQTPPIPD-STQMWFEESA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H]1CC[C@@H](NC2CC[NH+](C3CC3)CC2)C[NH2+]1 ZINC000399192900 367897468 /nfs/dbraw/zinc/89/74/68/367897468.db2.gz QRJVCCLGOBOMHZ-DGCLKSJQSA-N 2 0 237.391 1.343 20 0 BDADRP CC[N@H+](CCN[C@H](C)[C@H]1CCCC[NH2+]1)C1CC1 ZINC000386012163 367897740 /nfs/dbraw/zinc/89/77/40/367897740.db2.gz MVKMNGJPNPTNDX-TZMCWYRMSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@H](N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000386036827 367901430 /nfs/dbraw/zinc/90/14/30/367901430.db2.gz RVJYPWFCLFLZBD-SCRDCRAPSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H](O)C1)[C@H]1CCCC[NH2+]1 ZINC000386509782 367982990 /nfs/dbraw/zinc/98/29/90/367982990.db2.gz WYYTUBNNADSIGZ-RFQIPJPRSA-N 2 0 240.391 1.658 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000442714042 201595081 /nfs/dbraw/zinc/59/50/81/201595081.db2.gz KLYJGWPVTLIAHY-UTUOFQBUSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@H]1CC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000253123980 368518547 /nfs/dbraw/zinc/51/85/47/368518547.db2.gz KHFGEFBJMXFOGX-MGPQQGTHSA-N 2 0 240.391 1.611 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCc2ccncc2)C1 ZINC000086403269 368880271 /nfs/dbraw/zinc/88/02/71/368880271.db2.gz FASHEOPOSCJVCF-STQMWFEESA-N 2 0 219.332 1.484 20 0 BDADRP Cc1cccnc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000086404183 368880414 /nfs/dbraw/zinc/88/04/14/368880414.db2.gz QCTMEBURPGSXQX-VXGBXAGGSA-N 2 0 219.332 1.750 20 0 BDADRP CC[C@@H](COC)[NH2+]CC1CC[NH2+]CC1 ZINC000086701260 368883960 /nfs/dbraw/zinc/88/39/60/368883960.db2.gz IIKJFLKKASNYBG-NSHDSACASA-N 2 0 200.326 1.001 20 0 BDADRP CC[NH2+]CCC[NH2+]C1CCC(OC)CC1 ZINC000567462519 326197616 /nfs/dbraw/zinc/19/76/16/326197616.db2.gz HQAGBUOQGDEANP-UHFFFAOYSA-N 2 0 214.353 1.533 20 0 BDADRP C(C[NH2+]C1CC1)C[NH2+][C@@H]1CCC12CCOCC2 ZINC000567652965 326239175 /nfs/dbraw/zinc/23/91/75/326239175.db2.gz ZZYBMHSLKKVBNB-CYBMUJFWSA-N 2 0 238.375 1.677 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@H](C)O)[C@H](C)C1 ZINC000459382363 203271166 /nfs/dbraw/zinc/27/11/66/203271166.db2.gz SYKDGORQPBJIEC-GRYCIOLGSA-N 2 0 214.353 1.029 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+]CC[C@H]2CCOC2)C1 ZINC000459724298 203341718 /nfs/dbraw/zinc/34/17/18/203341718.db2.gz ALLLOZSGJHVWKI-KGLIPLIRSA-N 2 0 240.391 1.735 20 0 BDADRP Cn1nccc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459729893 203344906 /nfs/dbraw/zinc/34/49/06/203344906.db2.gz JLBOJNWONAUAEP-LBPRGKRZSA-N 2 0 236.363 1.242 20 0 BDADRP Cn1nccc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459729888 203345914 /nfs/dbraw/zinc/34/59/14/203345914.db2.gz JLBOJNWONAUAEP-GFCCVEGCSA-N 2 0 236.363 1.242 20 0 BDADRP COCC[C@@H](C)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459782802 203366680 /nfs/dbraw/zinc/36/66/80/203366680.db2.gz NAGFSCNMNIVKOH-CHWSQXEVSA-N 2 0 228.380 1.733 20 0 BDADRP COCC[C@H](C)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459782805 203366824 /nfs/dbraw/zinc/36/68/24/203366824.db2.gz NAGFSCNMNIVKOH-QWHCGFSZSA-N 2 0 228.380 1.733 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000295141166 181485046 /nfs/dbraw/zinc/48/50/46/181485046.db2.gz PXUJHNWISADJMU-RYUDHWBXSA-N 2 0 247.342 1.601 20 0 BDADRP C[C@@H](C[C@@H]1COCCN1)[NH2+][C@@H](C)C1CC1 ZINC000166099053 203388382 /nfs/dbraw/zinc/38/83/82/203388382.db2.gz WIYXCEPVNLERJG-JBLDHEPKSA-N 2 0 212.337 1.142 20 0 BDADRP CCN(C)C[C@H](O)C[N@H+](C)[C@H]1CCCC[C@H]1C ZINC000310489660 370347565 /nfs/dbraw/zinc/34/75/65/370347565.db2.gz FQMGMIOEBRCIJB-RDBSUJKOSA-N 2 0 242.407 1.810 20 0 BDADRP Cc1nccnc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000621711028 370456297 /nfs/dbraw/zinc/45/62/97/370456297.db2.gz BBFCREHMCZTZTN-UHFFFAOYSA-N 2 0 248.374 1.559 20 0 BDADRP Cc1cc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)ccn1 ZINC000621774523 370519773 /nfs/dbraw/zinc/51/97/73/370519773.db2.gz WFLNJOMUNDWTIV-TZMCWYRMSA-N 2 0 233.359 1.949 20 0 BDADRP [NH3+][C@]12CCC[C@H]1C[N@H+](CC[C@@H]1CCCCO1)C2 ZINC000621784750 370537816 /nfs/dbraw/zinc/53/78/16/370537816.db2.gz ULOIFBVVUPLEFZ-IHRRRGAJSA-N 2 0 238.375 1.759 20 0 BDADRP CCn1nccc1CC[NH2+][C@@](C)(CN)C(C)C ZINC000621775167 370521847 /nfs/dbraw/zinc/52/18/47/370521847.db2.gz HWYVVWCAVTUHPE-ZDUSSCGKSA-N 2 0 238.379 1.409 20 0 BDADRP CCn1nccc1CC[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000621775370 370522806 /nfs/dbraw/zinc/52/28/06/370522806.db2.gz NBQWYIULHKTSBV-NWDGAFQWSA-N 2 0 236.363 1.115 20 0 BDADRP CC[C@H]1C[N@H+](Cc2ccnc(C)c2)CC[C@@H]1[NH3+] ZINC000621775347 370523233 /nfs/dbraw/zinc/52/32/33/370523233.db2.gz MQCPAHIKBWKTGK-KBPBESRZSA-N 2 0 233.359 1.949 20 0 BDADRP CCn1cc(CC[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cn1 ZINC000621776290 370524169 /nfs/dbraw/zinc/52/41/69/370524169.db2.gz IBGSZWHVSOGUHL-WCQYABFASA-N 2 0 236.363 1.257 20 0 BDADRP [NH3+][C@]12CCC[C@@H]1CN(CCOCC1CC1)C2 ZINC000621781581 370529875 /nfs/dbraw/zinc/52/98/75/370529875.db2.gz GPRYDWGVROXOEP-OLZOCXBDSA-N 2 0 224.348 1.226 20 0 BDADRP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCC1CC[NH2+]CC1)C2 ZINC000621781415 370530993 /nfs/dbraw/zinc/53/09/93/370530993.db2.gz DQOVXESFPVHOOA-ZIAGYGMSSA-N 3 0 237.391 1.189 20 0 BDADRP [NH3+][C@]12CCC[C@H]1C[N@H+](CC[C@@H]1CCCO1)C2 ZINC000621784123 370535514 /nfs/dbraw/zinc/53/55/14/370535514.db2.gz KHLZEESPXFLSRY-AVGNSLFASA-N 2 0 224.348 1.369 20 0 BDADRP CCC(CC)C[NH2+]CCN1CC[C@@H](O)C1 ZINC000623757061 371083597 /nfs/dbraw/zinc/08/35/97/371083597.db2.gz NAFSFEREKSETMT-GFCCVEGCSA-N 2 0 214.353 1.079 20 0 BDADRP C[C@H](O)[C@H](C)[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000569230355 326396321 /nfs/dbraw/zinc/39/63/21/326396321.db2.gz VRVQGKOUWNKIIV-RDBSUJKOSA-N 2 0 242.407 2.000 20 0 BDADRP CC[N@@H+]1CC[C@@H](NC[C@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000624100810 371306962 /nfs/dbraw/zinc/30/69/62/371306962.db2.gz JOZOLLDQHBAEDZ-BFHYXJOUSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@@H](CCC1CC1)[NH2+]CCN1CC[C@H](O)C1 ZINC000624337370 371486795 /nfs/dbraw/zinc/48/67/95/371486795.db2.gz JDZYMOUIYIAHBL-AAEUAGOBSA-N 2 0 226.364 1.221 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000624309721 371471760 /nfs/dbraw/zinc/47/17/60/371471760.db2.gz VSHOBXMDMRYZMB-BZPMIXESSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC[C@@H](O)C(F)F)CC[N@@H+]1C ZINC000631697700 372510283 /nfs/dbraw/zinc/51/02/83/372510283.db2.gz OOMGPTHPWFIGNX-OPRDCNLKSA-N 2 0 236.306 1.075 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@H+](C)C1CC[NH2+]CC1 ZINC000631821114 372595620 /nfs/dbraw/zinc/59/56/20/372595620.db2.gz PGQVHRMIVMVSBS-QWRGUYRKSA-N 2 0 212.337 1.095 20 0 BDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@H]1CCO[C@H]1C ZINC000631822170 372599117 /nfs/dbraw/zinc/59/91/17/372599117.db2.gz UZFHFARMNHNHIY-YNEHKIRRSA-N 2 0 228.380 1.717 20 0 BDADRP Cn1ccc(CN2CCCCC[C@@H]([NH3+])C2)cc1=O ZINC000631834122 372618157 /nfs/dbraw/zinc/61/81/57/372618157.db2.gz PGMPMHFNERANQX-CYBMUJFWSA-N 2 0 249.358 1.089 20 0 BDADRP CC1([NH+]2CCCC2)CCN(CCC[NH3+])CC1 ZINC000631836937 372624599 /nfs/dbraw/zinc/62/45/99/372624599.db2.gz JSIAHTQWUYTSAO-UHFFFAOYSA-N 2 0 225.380 1.286 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)C[C@H]1C[NH3+] ZINC000631836722 372625618 /nfs/dbraw/zinc/62/56/18/372625618.db2.gz FTKHCKMVVAAXRH-UPJWGTAASA-N 2 0 226.364 1.472 20 0 BDADRP Cc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)nc1 ZINC000631837514 372627770 /nfs/dbraw/zinc/62/77/70/372627770.db2.gz CEWDDEQFVRYMPW-NWDGAFQWSA-N 2 0 219.332 1.417 20 0 BDADRP Cc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cn1 ZINC000631837336 372627992 /nfs/dbraw/zinc/62/79/92/372627992.db2.gz RBPUEPRHFAUDMV-GXFFZTMASA-N 2 0 219.332 1.417 20 0 BDADRP C[C@H]1C[N@H+](Cc2cccc(N)c2)C[C@H]1C[NH3+] ZINC000631838916 372633326 /nfs/dbraw/zinc/63/33/26/372633326.db2.gz XAGHLCJSYKFIPX-CMPLNLGQSA-N 2 0 219.332 1.295 20 0 BDADRP CCc1noc(C)c1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839225 372636047 /nfs/dbraw/zinc/63/60/47/372636047.db2.gz CAWBGECRAPFXLO-MWLCHTKSSA-N 2 0 237.347 1.572 20 0 BDADRP COCCCC[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631868299 372670786 /nfs/dbraw/zinc/67/07/86/372670786.db2.gz CQFDVHSUAMVYNL-NEPJUHHUSA-N 2 0 212.337 1.145 20 0 BDADRP CC(C)OCCC[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631868420 372671155 /nfs/dbraw/zinc/67/11/55/372671155.db2.gz GQEQNJFSVDRGLA-OLZOCXBDSA-N 2 0 226.364 1.533 20 0 BDADRP Cc1ccc(NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c(C)n1 ZINC000632919716 373219939 /nfs/dbraw/zinc/21/99/39/373219939.db2.gz HVJXHSWVJLDMPA-QWRGUYRKSA-N 2 0 246.314 1.276 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC000420314639 206024124 /nfs/dbraw/zinc/02/41/24/206024124.db2.gz VZJKYLMENZVUMB-AVGNSLFASA-N 2 0 226.364 1.615 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])[C@@H]1CCCO1 ZINC000424382145 206038071 /nfs/dbraw/zinc/03/80/71/206038071.db2.gz ZXHUIMBCCFTDHJ-KKOKHZNYSA-N 2 0 212.337 1.413 20 0 BDADRP CO[C@@H](C)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424369348 206038830 /nfs/dbraw/zinc/03/88/30/206038830.db2.gz BLIXVLYXMKMZPY-UKKRHICBSA-N 2 0 200.326 1.269 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])[C@H]1CCCO1 ZINC000424382143 206040541 /nfs/dbraw/zinc/04/05/41/206040541.db2.gz ZXHUIMBCCFTDHJ-DDHJBXDOSA-N 2 0 212.337 1.413 20 0 BDADRP CCC[NH+](C)CC(O)C[N@@H+](C)CCC ZINC000194454747 206091183 /nfs/dbraw/zinc/09/11/83/206091183.db2.gz QPOXZUQETMACTD-UHFFFAOYSA-N 2 0 202.342 1.031 20 0 BDADRP OCC[N@H+](CCC[NH+]1CCCCC1)C1CC1 ZINC000124934116 183066102 /nfs/dbraw/zinc/06/61/02/183066102.db2.gz GZEGWYSXYBDMLW-UHFFFAOYSA-N 2 0 226.364 1.319 20 0 BDADRP OCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121827139 183071609 /nfs/dbraw/zinc/07/16/09/183071609.db2.gz XBRABGWLZHQLHP-UHFFFAOYSA-N 2 0 240.391 1.567 20 0 BDADRP CCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000339661441 169063768 /nfs/dbraw/zinc/06/37/68/169063768.db2.gz VWESDXAVXOWKNS-PBWFPOADSA-N 2 0 240.391 1.970 20 0 BDADRP CCCN(CC[NH+](C)C)C(=O)C[N@H+](C)C(C)C ZINC000104531389 169156105 /nfs/dbraw/zinc/15/61/05/169156105.db2.gz RKESNSJQYMJBCZ-UHFFFAOYSA-N 2 0 243.395 1.127 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2O)CC1 ZINC000042237125 169189366 /nfs/dbraw/zinc/18/93/66/169189366.db2.gz OSUAMMWRDROPNK-OLZOCXBDSA-N 2 0 226.364 1.364 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H]2CCC[C@H]2O)CC1 ZINC000042237128 169190198 /nfs/dbraw/zinc/19/01/98/169190198.db2.gz OSUAMMWRDROPNK-QWHCGFSZSA-N 2 0 226.364 1.364 20 0 BDADRP c1c[nH]c(C[NH2+]CCCCC[NH+]2CCCC2)n1 ZINC000339497219 183325985 /nfs/dbraw/zinc/32/59/85/183325985.db2.gz FQYDCEVYFWXFCF-UHFFFAOYSA-N 2 0 236.363 1.765 20 0 BDADRP CCC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000374429010 169204644 /nfs/dbraw/zinc/20/46/44/169204644.db2.gz NNFCPVMWZSBNDK-JHJVBQTASA-N 2 0 226.364 1.580 20 0 BDADRP c1ccc(CCC[NH2+]C2CC[NH2+]CC2)cc1 ZINC000038040643 183391480 /nfs/dbraw/zinc/39/14/80/183391480.db2.gz JJADJJAADYMNTI-UHFFFAOYSA-N 2 0 218.344 1.961 20 0 BDADRP CCC[C@@H]([NH3+])C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000236978889 169390332 /nfs/dbraw/zinc/39/03/32/169390332.db2.gz UYZPWHXFGLZTFT-WDEREUQCSA-N 2 0 243.395 1.206 20 0 BDADRP CO[C@@H](C)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000182184007 134342600 /nfs/dbraw/zinc/34/26/00/134342600.db2.gz KWIKCIIRNFSLRB-KBPBESRZSA-N 2 0 240.391 1.972 20 0 BDADRP Cc1cc(NCC[N@H+]2CCCC[C@H]2C)nc(C)n1 ZINC000338990677 383878490 /nfs/dbraw/zinc/87/84/90/383878490.db2.gz SIKUNOWXSYAUJJ-GFCCVEGCSA-N 2 0 248.374 1.802 20 0 BDADRP C[NH2+]CCC1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000261564800 383910572 /nfs/dbraw/zinc/91/05/72/383910572.db2.gz CSDSHDNTOCDEMI-UHFFFAOYSA-N 3 0 213.369 1.045 20 0 BDADRP CC[C@H](O)[C@H](CC)[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000313123523 383913251 /nfs/dbraw/zinc/91/32/51/383913251.db2.gz WHNMLOCYQVGGBQ-RFHZTLPTSA-N 2 0 240.391 1.751 20 0 BDADRP C[C@H]1C[C@@H](c2nc([C@@H]3CCC[NH2+]3)no2)CC[NH2+]1 ZINC000647148080 383891043 /nfs/dbraw/zinc/89/10/43/383891043.db2.gz GAYSDVSPHGPRSY-GUBZILKMSA-N 2 0 236.319 1.350 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@@H]1c1nc([C@H]2CCC[NH2+]2)no1 ZINC000647148677 383896033 /nfs/dbraw/zinc/89/60/33/383896033.db2.gz UZQRUMXIRKZQNT-LPEHRKFASA-N 2 0 236.319 1.350 20 0 BDADRP Cc1cnc(CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(C)c1 ZINC000401131482 383980597 /nfs/dbraw/zinc/98/05/97/383980597.db2.gz QHZDDEONCDWVMB-OKILXGFUSA-N 2 0 245.370 1.392 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCC(F)(F)F)C1 ZINC000070911446 383959516 /nfs/dbraw/zinc/95/95/16/383959516.db2.gz SWQJYOPGFQXUOB-IUCAKERBSA-N 2 0 224.270 1.998 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643548702 384038728 /nfs/dbraw/zinc/03/87/28/384038728.db2.gz TZQLFBLLBLFZLF-STQMWFEESA-N 3 0 239.407 1.768 20 0 BDADRP Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000643549176 384040419 /nfs/dbraw/zinc/04/04/19/384040419.db2.gz OXUOKQWMJIGKHA-WKSBVSIWSA-N 2 0 248.374 1.757 20 0 BDADRP C[C@H](C[NH3+])c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000647158864 384087243 /nfs/dbraw/zinc/08/72/43/384087243.db2.gz OXAUIZWTSOADNP-MRVPVSSYSA-N 2 0 232.287 1.258 20 0 BDADRP Cc1noc(CCCN2CC[C@@H]([NH3+])C[C@H]2C)n1 ZINC000517754724 384097515 /nfs/dbraw/zinc/09/75/15/384097515.db2.gz FNMYCAPWGRTPLC-MWLCHTKSSA-N 2 0 238.335 1.122 20 0 BDADRP Cn1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000091008477 384094330 /nfs/dbraw/zinc/09/43/30/384094330.db2.gz DKPYPDVSXAYJMN-ZDUSSCGKSA-N 2 0 233.359 1.599 20 0 BDADRP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)CCC(C)(C)[NH3+] ZINC000648136542 384156387 /nfs/dbraw/zinc/15/63/87/384156387.db2.gz SYPKUNIVEPSLAH-JFGNBEQYSA-N 2 0 241.379 1.007 20 0 BDADRP Cc1cccc(NCC[C@@H]2CC[NH2+]C2)[nH+]1 ZINC000082487618 384230136 /nfs/dbraw/zinc/23/01/36/384230136.db2.gz OZEFNFAMULYOHT-NSHDSACASA-N 2 0 205.305 1.802 20 0 BDADRP C[C@@]1(C[NH3+])CC[N@H+](Cc2cccc(O)c2)C1 ZINC000235440075 384230559 /nfs/dbraw/zinc/23/05/59/384230559.db2.gz OGTSCOZTQSQGSZ-ZDUSSCGKSA-N 2 0 220.316 1.563 20 0 BDADRP COC[C@H]([NH2+][C@H]1CCC[NH2+]CC1)C1CC1 ZINC000397236421 384235061 /nfs/dbraw/zinc/23/50/61/384235061.db2.gz IWHMCUAWWNBIRM-RYUDHWBXSA-N 2 0 212.337 1.143 20 0 BDADRP CCN(C)CC[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000132882180 384217315 /nfs/dbraw/zinc/21/73/15/384217315.db2.gz HQTRZPFBSBEPTJ-RYUDHWBXSA-N 2 0 225.380 1.153 20 0 BDADRP CC[C@@H](C)[NH2+]C1CC[NH+](CCCOC)CC1 ZINC000159167421 384306544 /nfs/dbraw/zinc/30/65/44/384306544.db2.gz NETAFVNPIROJAL-GFCCVEGCSA-N 2 0 228.380 1.875 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)COC)C1 ZINC000173914163 384284919 /nfs/dbraw/zinc/28/49/19/384284919.db2.gz QSLVCISOSCMGOI-RYUDHWBXSA-N 2 0 214.353 1.295 20 0 BDADRP Cc1ccc(C)c(C[N@@H+]2CCCO[C@H](C[NH3+])C2)c1 ZINC000313364233 384295554 /nfs/dbraw/zinc/29/55/54/384295554.db2.gz XOVQUOQRWSVRPF-OAHLLOKOSA-N 2 0 248.370 1.853 20 0 BDADRP CC(C)OC(=O)CC[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000566412115 384398409 /nfs/dbraw/zinc/39/84/09/384398409.db2.gz CCQVMAVRXWQPME-GHMZBOCLSA-N 2 0 228.336 1.140 20 0 BDADRP Cc1nnsc1CN[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000405516222 384400517 /nfs/dbraw/zinc/40/05/17/384400517.db2.gz URKBAHNRXLLSDM-BDAKNGLRSA-N 2 0 226.349 1.062 20 0 BDADRP C([NH2+]C1CCCCC1)[C@H]1C[NH2+]CCCO1 ZINC000335627681 384407985 /nfs/dbraw/zinc/40/79/85/384407985.db2.gz GLPCDFJLURGYJV-GFCCVEGCSA-N 2 0 212.337 1.287 20 0 BDADRP C[C@H]1OCC[C@@H]1[NH2+]CC(C)(C)C[NH+](C)C ZINC000096033413 384423950 /nfs/dbraw/zinc/42/39/50/384423950.db2.gz QXZOUSARSUBJQP-MNOVXSKESA-N 2 0 214.353 1.341 20 0 BDADRP CCC(C)(C)[C@@H](C)[NH2+]C[C@]1(O)CCN(C)C1 ZINC000556453766 384391284 /nfs/dbraw/zinc/39/12/84/384391284.db2.gz CLDZQYWLURAICC-DGCLKSJQSA-N 2 0 228.380 1.467 20 0 BDADRP CCOCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000036228935 384435365 /nfs/dbraw/zinc/43/53/65/384435365.db2.gz LIRNVXUVBDBTHO-YOGCLGLASA-N 2 0 212.337 1.238 20 0 BDADRP C[C@@H]1[C@H](C)OCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000335663074 384472196 /nfs/dbraw/zinc/47/21/96/384472196.db2.gz LFPMDVKKJPZGNC-NEPJUHHUSA-N 2 0 226.364 1.485 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCOC)[C@H](C)C1 ZINC000175720442 384475337 /nfs/dbraw/zinc/47/53/37/384475337.db2.gz DLSVTZIRRIHKAE-CHWSQXEVSA-N 2 0 228.380 1.685 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCCO2)[C@H](C)C1 ZINC000449439360 384497790 /nfs/dbraw/zinc/49/77/90/384497790.db2.gz VEKWWMHJTALQDO-JHJVBQTASA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCOC1)N(C)C1CC1 ZINC000356871708 384520169 /nfs/dbraw/zinc/52/01/69/384520169.db2.gz OVIRGLUIAUBKJZ-FRRDWIJNSA-N 2 0 240.391 1.874 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](COC)C(C)C)C1 ZINC000151129802 384542327 /nfs/dbraw/zinc/54/23/27/384542327.db2.gz CWSZBOKVOFBBDZ-KGLIPLIRSA-N 2 0 242.407 1.979 20 0 BDADRP C(CN1CC[C@@H]2CC[NH2+][C@@H]2C1)[C@H]1CCCCO1 ZINC000643064879 384586189 /nfs/dbraw/zinc/58/61/89/384586189.db2.gz DRXLGQXEYZCDAM-BFHYXJOUSA-N 2 0 238.375 1.629 20 0 BDADRP Cc1cccc(CC[NH2+][C@@H](C)CCC[NH3+])n1 ZINC000423083172 384565440 /nfs/dbraw/zinc/56/54/40/384565440.db2.gz FKSTVUCRLLLNNJ-NSHDSACASA-N 2 0 221.348 1.650 20 0 BDADRP C[C@@H]1C[C@H]([N@H+](C)CCCF)CCN1C ZINC000151374738 384567654 /nfs/dbraw/zinc/56/76/54/384567654.db2.gz MMVKDWRESAMAER-GHMZBOCLSA-N 2 0 202.317 1.761 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH2+]CC[C@H]2CCOC2)C1 ZINC000300359196 384607078 /nfs/dbraw/zinc/60/70/78/384607078.db2.gz GOLXBINVIQAYIH-STQMWFEESA-N 2 0 226.364 1.344 20 0 BDADRP CCCC[N@H+](CCC[NH2+]C)CCOC ZINC000336650771 384608672 /nfs/dbraw/zinc/60/86/72/384608672.db2.gz PJPLKFNUBABGAM-UHFFFAOYSA-N 2 0 202.342 1.344 20 0 BDADRP CSCCC[N@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000300867122 384615108 /nfs/dbraw/zinc/61/51/08/384615108.db2.gz QCOIPHMYJMJLKO-LLVKDONJSA-N 2 0 216.394 1.671 20 0 BDADRP CC1([NH3+])CC[NH+](Cc2cccc3c2NCC3)CC1 ZINC000647530839 384621718 /nfs/dbraw/zinc/62/17/18/384621718.db2.gz JWXWVUZUBIBTGU-UHFFFAOYSA-N 2 0 245.370 1.968 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCC1CC(O)C1 ZINC000309803728 384626802 /nfs/dbraw/zinc/62/68/02/384626802.db2.gz RQTITTXLHOGSLX-WTIISPKJSA-N 2 0 226.364 1.077 20 0 BDADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CO[C@@H](C)C2)CC1 ZINC000647187031 384631261 /nfs/dbraw/zinc/63/12/61/384631261.db2.gz BIYNUPIYLFYSEI-JSGCOSHPSA-N 2 0 240.391 1.875 20 0 BDADRP CO[C@@H](C[NH2+][C@@H](C)CCCC[NH3+])C1CC1 ZINC000356363900 384631629 /nfs/dbraw/zinc/63/16/29/384631629.db2.gz ZWEPAWNMVRIBTB-JQWIXIFHSA-N 2 0 214.353 1.519 20 0 BDADRP CCCCOCC[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000049262554 384675110 /nfs/dbraw/zinc/67/51/10/384675110.db2.gz CNNOVNFCSBQOGR-GFCCVEGCSA-N 2 0 214.353 1.474 20 0 BDADRP CCOC[C@H](C)[NH2+]Cc1cnc2n1CCCC2 ZINC000367437336 384642309 /nfs/dbraw/zinc/64/23/09/384642309.db2.gz IPXSUNCXFXLQMS-NSHDSACASA-N 2 0 237.347 1.734 20 0 BDADRP C[NH2+]CCC[N@H+](C)CCc1cccs1 ZINC000086441585 384650823 /nfs/dbraw/zinc/65/08/23/384650823.db2.gz MQAQLRMFKVFMHV-UHFFFAOYSA-N 2 0 212.362 1.832 20 0 BDADRP COCCC[NH2+][C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000086495102 384659963 /nfs/dbraw/zinc/65/99/63/384659963.db2.gz PIGAQTYFOWDENW-WDEREUQCSA-N 2 0 200.326 1.143 20 0 BDADRP C[C@H](O)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000309885095 384691130 /nfs/dbraw/zinc/69/11/30/384691130.db2.gz XRFCBWKWMYPXQO-UMSGYPCISA-N 2 0 226.364 1.220 20 0 BDADRP CCN1CC[C@@H]([NH2+][C@H]2COC(C)(C)C2)C1 ZINC000335362081 384700771 /nfs/dbraw/zinc/70/07/71/384700771.db2.gz YXANMCDJFMPYTD-GHMZBOCLSA-N 2 0 212.337 1.238 20 0 BDADRP CC[NH+](CC)CC(=O)Nc1cccc(C[NH3+])c1 ZINC000022155083 384702218 /nfs/dbraw/zinc/70/22/18/384702218.db2.gz FEOSDSUZTASOBH-UHFFFAOYSA-N 2 0 235.331 1.426 20 0 BDADRP C(C[NH2+][C@@H]1CC[C@@H]1C1CC1)CN1CC[NH2+]CC1 ZINC000423183645 384719240 /nfs/dbraw/zinc/71/92/40/384719240.db2.gz LKCWWFOGLLFJRW-ZIAGYGMSSA-N 2 0 237.391 1.060 20 0 BDADRP C(C[NH2+][C@H]1CC[C@@H]1C1CC1)CN1CC[NH2+]CC1 ZINC000423183643 384720550 /nfs/dbraw/zinc/72/05/50/384720550.db2.gz LKCWWFOGLLFJRW-KGLIPLIRSA-N 2 0 237.391 1.060 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCCC(F)(F)[C@H]1O ZINC000423182968 384720632 /nfs/dbraw/zinc/72/06/32/384720632.db2.gz MDDODENHYHIVBM-JLIMGVALSA-N 2 0 236.306 1.251 20 0 BDADRP C(C[NH2+][C@@H]1CC[C@H]1C1CC1)CN1CC[NH2+]CC1 ZINC000423183644 384720684 /nfs/dbraw/zinc/72/06/84/384720684.db2.gz LKCWWFOGLLFJRW-UONOGXRCSA-N 2 0 237.391 1.060 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000309929955 384730229 /nfs/dbraw/zinc/73/02/29/384730229.db2.gz XLDPRLKNKDWMGV-YNEHKIRRSA-N 2 0 227.396 1.256 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]CC[C@H](C)O)CC1 ZINC000082992880 384733747 /nfs/dbraw/zinc/73/37/47/384733747.db2.gz JLAPSYWDJYPEHE-NSHDSACASA-N 2 0 214.353 1.220 20 0 BDADRP C[C@H]([NH3+])c1ccc(CN[C@H]2C[NH2+]C[C@@H](C)C2)cc1 ZINC000647546719 384734416 /nfs/dbraw/zinc/73/44/16/384734416.db2.gz XOXBOCDKPCDYNX-SLEUVZQESA-N 2 0 247.386 1.794 20 0 BDADRP C[N@H+]1CC=C(C[NH2+]C2CCC(O)CC2)CC1 ZINC000309939388 384734996 /nfs/dbraw/zinc/73/49/96/384734996.db2.gz BEGMQMOZBOIKIS-UHFFFAOYSA-N 2 0 224.348 1.141 20 0 BDADRP C[NH2+]Cc1ccc(N[C@@H]2C[NH2+]C[C@@H](C)C2)cc1 ZINC000647547367 384736288 /nfs/dbraw/zinc/73/62/88/384736288.db2.gz UOWVABMYGWBDGR-FZMZJTMJSA-N 2 0 233.359 1.816 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)C1(C)C ZINC000300387173 384743665 /nfs/dbraw/zinc/74/36/65/384743665.db2.gz MIILQXHYHDTKML-QJPTWQEYSA-N 2 0 228.380 1.763 20 0 BDADRP CC[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000309958574 384744664 /nfs/dbraw/zinc/74/46/64/384744664.db2.gz JXQJRZLVWVEMIZ-YVECIDJPSA-N 2 0 226.364 1.220 20 0 BDADRP C(N[C@H]1CC[NH2+]C2(CCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000647547987 384749956 /nfs/dbraw/zinc/74/99/56/384749956.db2.gz QFSJTMDDAPFTEU-STQMWFEESA-N 2 0 237.391 1.250 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000300396138 384751917 /nfs/dbraw/zinc/75/19/17/384751917.db2.gz ZOFMIKFPLXVOGC-XQQFMLRXSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@@H]1CNC[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC000647552118 384756423 /nfs/dbraw/zinc/75/64/23/384756423.db2.gz GRFMCPRHQLEITN-AHPWVWPOSA-N 2 0 239.407 1.447 20 0 BDADRP Cc1ccc(C[NH+]2CCC(O)(C[NH3+])CC2)s1 ZINC000335110934 384819486 /nfs/dbraw/zinc/81/94/86/384819486.db2.gz PUFLPRVKSITITC-UHFFFAOYSA-N 2 0 240.372 1.342 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@H]1CC[C@@H](C)O1 ZINC000398153383 384822281 /nfs/dbraw/zinc/82/22/81/384822281.db2.gz HLZBKGIGKMPHQB-GMTAPVOTSA-N 2 0 200.326 1.271 20 0 BDADRP CC[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)[C@@H]1CCOC1 ZINC000309778348 384824667 /nfs/dbraw/zinc/82/46/67/384824667.db2.gz QKHGHSSIQYJDAH-UPJWGTAASA-N 2 0 228.380 1.589 20 0 BDADRP CCC[C@H]([NH3+])C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000236918237 384831879 /nfs/dbraw/zinc/83/18/79/384831879.db2.gz UYZPWHXFGLZTFT-MNOVXSKESA-N 2 0 243.395 1.206 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccnn1C ZINC000423361949 384835682 /nfs/dbraw/zinc/83/56/82/384835682.db2.gz HFMFGMGRVUXFPR-GARJFASQSA-N 2 0 222.336 1.341 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+]C[C@H](C)C[NH+](C)C ZINC000309730263 384782807 /nfs/dbraw/zinc/78/28/07/384782807.db2.gz FEVQDKNWEZNRMK-NWDGAFQWSA-N 2 0 224.352 1.059 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000423294004 384789231 /nfs/dbraw/zinc/78/92/31/384789231.db2.gz AXQWSNLWIGRMBR-RNCFNFMXSA-N 2 0 222.307 1.997 20 0 BDADRP C[C@H](C[NH2+]Cc1ccco1)N1CC[NH+](C)CC1 ZINC000053486226 384789963 /nfs/dbraw/zinc/78/99/63/384789963.db2.gz YQGBEOIGIANJDJ-GFCCVEGCSA-N 2 0 237.347 1.005 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)C1 ZINC000581141697 384793201 /nfs/dbraw/zinc/79/32/01/384793201.db2.gz AADXZFJTRMKATR-CRWXNKLISA-N 2 0 240.391 1.645 20 0 BDADRP COC[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)C1CC1 ZINC000398109093 384807926 /nfs/dbraw/zinc/80/79/26/384807926.db2.gz NJXSJLGKHSGVKQ-QWHCGFSZSA-N 2 0 226.364 1.391 20 0 BDADRP COC[C@H](C)[NH2+][C@H]1CCCN(C)[C@H]1C ZINC000308627965 384871125 /nfs/dbraw/zinc/87/11/25/384871125.db2.gz XOGDLGCJOTYFPT-DCAQKATOSA-N 2 0 200.326 1.094 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CCOC(F)(F)F ZINC000398279577 384884559 /nfs/dbraw/zinc/88/45/59/384884559.db2.gz NOSMNOUOQXNIGF-SSDOTTSWSA-N 2 0 214.231 1.240 20 0 BDADRP COC[C@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000053172507 384887820 /nfs/dbraw/zinc/88/78/20/384887820.db2.gz GKAPOVSMNJARGW-LBPRGKRZSA-N 2 0 214.353 1.487 20 0 BDADRP C[C@H]1OCC[C@H]1[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000335064901 384845918 /nfs/dbraw/zinc/84/59/18/384845918.db2.gz XLWNWGJQAXRZPG-QMTHXVAHSA-N 2 0 232.327 1.557 20 0 BDADRP Cc1ccc(C[NH2+][C@@H](C)CCC[NH3+])nc1C ZINC000314184095 384847150 /nfs/dbraw/zinc/84/71/50/384847150.db2.gz OUCDSCKBYIRHMV-NSHDSACASA-N 2 0 221.348 1.915 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC[NH3+] ZINC000398220691 384851299 /nfs/dbraw/zinc/85/12/99/384851299.db2.gz WBSQUPZULSSWSX-HIFRSBDPSA-N 2 0 247.386 1.445 20 0 BDADRP C[C@@H](CC[NH+](C)C)NC1CC[NH+](C2CC2)CC1 ZINC000310197922 384888793 /nfs/dbraw/zinc/88/87/93/384888793.db2.gz BGZLNXOXTLIHGI-LBPRGKRZSA-N 2 0 239.407 1.543 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)CCC1CC1 ZINC000398225387 384857085 /nfs/dbraw/zinc/85/70/85/384857085.db2.gz PRMYCOPAENIHFA-YPMHNXCESA-N 2 0 228.380 1.909 20 0 BDADRP CN1CCNC[C@H]1C[NH2+]CCC1CCCCC1 ZINC000258934976 384950423 /nfs/dbraw/zinc/95/04/23/384950423.db2.gz OYLDHZXVQCGWFO-CQSZACIVSA-N 2 0 239.407 1.450 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCc1ccc(F)cc1 ZINC000259039893 384951014 /nfs/dbraw/zinc/95/10/14/384951014.db2.gz PEUFZFDJGKVHHZ-STQMWFEESA-N 2 0 222.307 1.838 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@H]2[NH3+])C1 ZINC000259005214 384955364 /nfs/dbraw/zinc/95/53/64/384955364.db2.gz NJFJIADWZYUQDD-JHJVBQTASA-N 2 0 225.380 1.188 20 0 BDADRP C(CN1CC[C@H]2[NH2+]CC[C@H]2C1)C1CC[NH2+]CC1 ZINC000336266208 384903842 /nfs/dbraw/zinc/90/38/42/384903842.db2.gz ICVFAHLXLMMSMJ-UONOGXRCSA-N 2 0 237.391 1.060 20 0 BDADRP Cc1ccc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)nc1 ZINC000156600158 384904224 /nfs/dbraw/zinc/90/42/24/384904224.db2.gz AHPGTKFGQKDJNP-CYBMUJFWSA-N 2 0 233.359 1.951 20 0 BDADRP CC[C@@H](C)[NH2+]C[C@@H]1CN(CC(C)C)CCO1 ZINC000175518151 384919285 /nfs/dbraw/zinc/91/92/85/384919285.db2.gz LVTCELTZWYOCIY-CHWSQXEVSA-N 2 0 228.380 1.731 20 0 BDADRP [NH3+]CCCN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000257746024 384923104 /nfs/dbraw/zinc/92/31/04/384923104.db2.gz FGFIPWBKSCUNJE-CYBMUJFWSA-N 2 0 225.380 1.286 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CCOC2(CCC2)C1)C[NH+](C)C ZINC000310268678 384933055 /nfs/dbraw/zinc/93/30/55/384933055.db2.gz SBXYUCHXDWQSPT-CHWSQXEVSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@@H](O)C[NH2+]C[C@@H](C)Cn1ccnc1C ZINC000644525339 384937956 /nfs/dbraw/zinc/93/79/56/384937956.db2.gz QSLRIZPQJDKLDW-ZYHUDNBSSA-N 2 0 225.336 1.188 20 0 BDADRP Cc1c(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cnn1C ZINC000226305825 384967335 /nfs/dbraw/zinc/96/73/35/384967335.db2.gz JWERTSAQBZOYCD-YPMHNXCESA-N 2 0 236.363 1.336 20 0 BDADRP C[C@@H](O)[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000566230500 384967282 /nfs/dbraw/zinc/96/72/82/384967282.db2.gz HVQIVWQHFIMPOO-DGCLKSJQSA-N 2 0 226.364 1.079 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000087362986 384977182 /nfs/dbraw/zinc/97/71/82/384977182.db2.gz HHRAMLWQPCMAKD-WOPDTQHZSA-N 2 0 214.353 1.255 20 0 BDADRP CN(C[C@H]1CCC[NH2+]C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000226439545 385022410 /nfs/dbraw/zinc/02/24/10/385022410.db2.gz OVOSWJOJOOLFKC-GXTWGEPZSA-N 2 0 237.391 1.155 20 0 BDADRP CC(C)([NH3+])CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000336225508 384998639 /nfs/dbraw/zinc/99/86/39/384998639.db2.gz LHZKJADGCKSMIK-GFCCVEGCSA-N 2 0 225.380 1.284 20 0 BDADRP C[C@@H](O)C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000644606486 385001342 /nfs/dbraw/zinc/00/13/42/385001342.db2.gz FSCQINFKQRZUQM-VOMCLLRMSA-N 2 0 214.353 1.077 20 0 BDADRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cc[nH]c2)C1 ZINC000086256448 385003890 /nfs/dbraw/zinc/00/38/90/385003890.db2.gz GGWUZEJPPSUIQH-STQMWFEESA-N 2 0 221.348 1.977 20 0 BDADRP Cc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)cn1 ZINC000404757444 385051611 /nfs/dbraw/zinc/05/16/11/385051611.db2.gz AIVHMHXHSBFHAY-VXGBXAGGSA-N 2 0 219.332 1.605 20 0 BDADRP Cc1ccncc1C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000404773911 385055276 /nfs/dbraw/zinc/05/52/76/385055276.db2.gz KLHKWFYLDOKEDV-RYUDHWBXSA-N 2 0 219.332 1.605 20 0 BDADRP CCn1nccc1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000157066435 385067119 /nfs/dbraw/zinc/06/71/19/385067119.db2.gz RXAUPBHIKBLDIR-LLVKDONJSA-N 2 0 236.363 1.462 20 0 BDADRP CC[C@H]([NH2+][C@H]1C[C@@H](C)N(C2CC2)C1)C(C)(C)O ZINC000340498662 385077130 /nfs/dbraw/zinc/07/71/30/385077130.db2.gz ABXWIBKFCCRSHT-MDZLAQPJSA-N 2 0 240.391 1.751 20 0 BDADRP C[C@@H](O)C[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000644621043 385026901 /nfs/dbraw/zinc/02/69/01/385026901.db2.gz OBDAPDYKWACTCN-VXGBXAGGSA-N 2 0 214.353 1.221 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccccn1 ZINC000086700284 385041546 /nfs/dbraw/zinc/04/15/46/385041546.db2.gz LAZJUNRTNUYLAU-LLVKDONJSA-N 2 0 219.332 1.732 20 0 BDADRP c1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)nc1 ZINC000310545892 385109953 /nfs/dbraw/zinc/10/99/53/385109953.db2.gz DQLSTOOEGHSQBG-BETUJISGSA-N 2 0 231.343 1.513 20 0 BDADRP CC[C@@H](O)C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000644669323 385086671 /nfs/dbraw/zinc/08/66/71/385086671.db2.gz YINHOGFKYRJXNZ-NWDGAFQWSA-N 2 0 214.353 1.079 20 0 BDADRP CO[C@](C)(C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C1CC1 ZINC000310486017 385088414 /nfs/dbraw/zinc/08/84/14/385088414.db2.gz DXRZHMLBGLGBSG-KWCYVHTRSA-N 2 0 240.391 1.874 20 0 BDADRP CC1(C)[C@H]([NH2+]CCOCC2CC2)C[C@@H]1[NH3+] ZINC000404846915 385101158 /nfs/dbraw/zinc/10/11/58/385101158.db2.gz DWZQSYUBBZXJSK-WDEREUQCSA-N 2 0 212.337 1.128 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000305161631 385201690 /nfs/dbraw/zinc/20/16/90/385201690.db2.gz XFGFYVWIPYTKKR-KWCYVHTRSA-N 2 0 242.407 1.713 20 0 BDADRP CC(C)[C@@](C)(O)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000178117535 385184749 /nfs/dbraw/zinc/18/47/49/385184749.db2.gz YPCJOOZUGQEMBP-SYQHCUMBSA-N 2 0 242.407 1.712 20 0 BDADRP CCC[C@H](CCO)C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000305114503 385188520 /nfs/dbraw/zinc/18/85/20/385188520.db2.gz FEAPBEXXXUZJRN-MGPQQGTHSA-N 2 0 242.407 1.715 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1ccccn1 ZINC000252710003 385191439 /nfs/dbraw/zinc/19/14/39/385191439.db2.gz FKDGXTVVPQPDFF-TZMCWYRMSA-N 2 0 233.359 1.554 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@@H](C)C[C@H](C)[NH3+] ZINC000422710487 385194909 /nfs/dbraw/zinc/19/49/09/385194909.db2.gz FXRATIZSCSLZHE-SRVKXCTJSA-N 3 0 215.385 1.432 20 0 BDADRP FCCCCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000308829311 385197197 /nfs/dbraw/zinc/19/71/97/385197197.db2.gz IXJVEZKPHYLQNQ-NWDGAFQWSA-N 2 0 214.328 1.810 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CCCOC)C1 ZINC000178185854 385197830 /nfs/dbraw/zinc/19/78/30/385197830.db2.gz ZSHZKVCJLAFNML-STQMWFEESA-N 2 0 228.380 1.733 20 0 BDADRP CCOc1ccc(C[NH+]2CCC(C[NH3+])CC2)nc1 ZINC000647482193 385198341 /nfs/dbraw/zinc/19/83/41/385198341.db2.gz OATGVMSEBFJFBT-UHFFFAOYSA-N 2 0 249.358 1.651 20 0 BDADRP COCCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157333793 385147737 /nfs/dbraw/zinc/14/77/37/385147737.db2.gz FIXMLAZIOWKCPC-AWEZNQCLSA-N 2 0 240.391 1.973 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1COCC1(C)C ZINC000313015201 385155133 /nfs/dbraw/zinc/15/51/33/385155133.db2.gz FISJDJUBDBTWGF-MNOVXSKESA-N 2 0 214.353 1.519 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)[C@]1(C)CCCO1 ZINC000559767192 385164897 /nfs/dbraw/zinc/16/48/97/385164897.db2.gz QWXYEGPKTVCWID-MJBXVCDLSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1csc(C[NH2+]C2CC[NH2+]CC2)c1 ZINC000306836959 385211433 /nfs/dbraw/zinc/21/14/33/385211433.db2.gz VDWOZODJDQCYAS-UHFFFAOYSA-N 2 0 210.346 1.898 20 0 BDADRP CC(C)CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000308868732 385225249 /nfs/dbraw/zinc/22/52/49/385225249.db2.gz HSMBNZUQNRDSTG-BETUJISGSA-N 2 0 210.365 1.964 20 0 BDADRP [NH3+][C@@H]1C[C@H](N[C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000333344636 385251378 /nfs/dbraw/zinc/25/13/78/385251378.db2.gz YXWXOGOOMSBLPT-WQAKAFBOSA-N 2 0 217.316 1.083 20 0 BDADRP C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCCC[NH2+]1 ZINC000333342317 385251848 /nfs/dbraw/zinc/25/18/48/385251848.db2.gz YJSAPJLKDFNBFJ-UMSGYPCISA-N 2 0 225.380 1.377 20 0 BDADRP C([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCSC1 ZINC000300234457 385302797 /nfs/dbraw/zinc/30/27/97/385302797.db2.gz VBKYCHRLJVRKNW-FRRDWIJNSA-N 2 0 240.416 1.956 20 0 BDADRP Cc1noc(C)c1C[NH+]1CCC(C[NH3+])CC1 ZINC000044511799 385308144 /nfs/dbraw/zinc/30/81/44/385308144.db2.gz IHOGXUDTYLISGC-UHFFFAOYSA-N 2 0 223.320 1.462 20 0 BDADRP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@H]1CCCN1C ZINC000178650590 385312262 /nfs/dbraw/zinc/31/22/62/385312262.db2.gz PSRNUIWOKANYRK-CMPLNLGQSA-N 2 0 236.363 1.473 20 0 BDADRP O[C@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000299892172 385270722 /nfs/dbraw/zinc/27/07/22/385270722.db2.gz PTIUQMLIXIWWRY-VOAKCMCISA-N 2 0 224.348 1.116 20 0 BDADRP C[C@@H](C[NH2+][C@@H]1CCCOCC1)C[NH+](C)C ZINC000308915323 385281587 /nfs/dbraw/zinc/28/15/87/385281587.db2.gz NPXKQSSRVXGRLK-NWDGAFQWSA-N 2 0 214.353 1.343 20 0 BDADRP C[C@H](C[NH2+][C@H]1CCCOCC1)C[NH+](C)C ZINC000308915317 385282420 /nfs/dbraw/zinc/28/24/20/385282420.db2.gz NPXKQSSRVXGRLK-NEPJUHHUSA-N 2 0 214.353 1.343 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@@H]1c1nc(C[C@@H](C)[NH2+]C)no1 ZINC000647142746 385295233 /nfs/dbraw/zinc/29/52/33/385295233.db2.gz BRIYTYGVPONFTE-UTLUCORTSA-N 2 0 238.335 1.076 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]C[C@@H](O)CC(C)(C)C ZINC000308973054 385328590 /nfs/dbraw/zinc/32/85/90/385328590.db2.gz AZUMODOTZWGJNT-QWRGUYRKSA-N 2 0 216.369 1.501 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@H]1CCc2ccccc21 ZINC000308992681 385336187 /nfs/dbraw/zinc/33/61/87/385336187.db2.gz OIIAHWAVYQHIOH-MFKMUULPSA-N 2 0 204.317 1.858 20 0 BDADRP C[C@@H](C(=O)NCC[NH+](C)C)[C@@H]([NH3+])c1ccccc1 ZINC000131610804 385346949 /nfs/dbraw/zinc/34/69/49/385346949.db2.gz RVFSRQBZHOMVIR-DGCLKSJQSA-N 2 0 249.358 1.000 20 0 BDADRP Cc1ccc(O)c(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)n1 ZINC000228151814 385349007 /nfs/dbraw/zinc/34/90/07/385349007.db2.gz CUHYHOOCBKVKES-QWRGUYRKSA-N 2 0 235.331 1.265 20 0 BDADRP C[N@H+](CCCn1ccnc1)C[C@@H]1CCOC1 ZINC000178434194 385372457 /nfs/dbraw/zinc/37/24/57/385372457.db2.gz CSUYWBAOIVOZKJ-LBPRGKRZSA-N 2 0 223.320 1.242 20 0 BDADRP COC[C@@H]([NH2+][C@H](C)CCCC[NH3+])C(C)C ZINC000309019339 385372739 /nfs/dbraw/zinc/37/27/39/385372739.db2.gz SUHRCUSSPVVYEM-VXGBXAGGSA-N 2 0 216.369 1.765 20 0 BDADRP CC[C@@H](C)N(C)CC[NH2+][C@H](C)CCC[NH3+] ZINC000336707100 385381205 /nfs/dbraw/zinc/38/12/05/385381205.db2.gz RQNLHBWNTRNUCV-VXGBXAGGSA-N 2 0 215.385 1.434 20 0 BDADRP CCCCCCN1CCO[C@@H](C[NH+](C)C)C1 ZINC000158004575 385325206 /nfs/dbraw/zinc/32/52/06/385325206.db2.gz ADGGNFROZNLINA-ZDUSSCGKSA-N 2 0 228.380 1.829 20 0 BDADRP C[NH+](C)C[C@@](C)(O)CNc1ccncc1Cl ZINC000178600379 385396403 /nfs/dbraw/zinc/39/64/03/385396403.db2.gz BFKZNUVPDFXCND-NSHDSACASA-N 2 0 243.738 1.460 20 0 BDADRP CC[C@@H]1CN(C[C@]2(C)CC[NH2+]C2)CC[C@H]1[NH3+] ZINC000647497754 385408477 /nfs/dbraw/zinc/40/84/77/385408477.db2.gz TWWPKRWLCFMVOE-JHJVBQTASA-N 2 0 225.380 1.045 20 0 BDADRP CC[C@@H]1CN(C[C@H]([NH3+])CC(C)C)CC[C@@H]1[NH3+] ZINC000647497441 385410133 /nfs/dbraw/zinc/41/01/33/385410133.db2.gz HWVQLNOSIRCVIS-UPJWGTAASA-N 2 0 227.396 1.419 20 0 BDADRP CC[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)CC[C@H]1[NH3+] ZINC000647499032 385423751 /nfs/dbraw/zinc/42/37/51/385423751.db2.gz XGVWUMHWDYMMJF-JHJVBQTASA-N 2 0 225.380 1.045 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)O1 ZINC000405287716 385449272 /nfs/dbraw/zinc/44/92/72/385449272.db2.gz HIORGWXNWOFIDT-ZNSHCXBVSA-N 2 0 212.337 1.269 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCOc1ccccc1 ZINC000405285598 385453724 /nfs/dbraw/zinc/45/37/24/385453724.db2.gz FXDBFMNTBHJGAP-OLZOCXBDSA-N 2 0 234.343 1.781 20 0 BDADRP C[C@@H]1OCC[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000121007913 385460992 /nfs/dbraw/zinc/46/09/92/385460992.db2.gz VPEPSUIYJHPMTF-CMPLNLGQSA-N 2 0 212.337 1.095 20 0 BDADRP C([C@@H]1CCCCO1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000257745267 385496565 /nfs/dbraw/zinc/49/65/65/385496565.db2.gz ZOMPOJNXJWNGGL-ZDUSSCGKSA-N 2 0 238.375 1.631 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CCN(C)C1CCCC1 ZINC000309297738 385516105 /nfs/dbraw/zinc/51/61/05/385516105.db2.gz XLOBXOBQGWDTGI-LBPRGKRZSA-N 2 0 227.396 1.578 20 0 BDADRP C[C@@H]([NH3+])CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000336406212 385488953 /nfs/dbraw/zinc/48/89/53/385488953.db2.gz LDTIYDRPIXYRLI-GFCCVEGCSA-N 2 0 225.380 1.284 20 0 BDADRP C[C@@H](C[NH3+])CNC1CC[NH+](C(C)(C)C)CC1 ZINC000309353421 385548934 /nfs/dbraw/zinc/54/89/34/385548934.db2.gz NOIVQXISNMBDQG-NSHDSACASA-N 2 0 227.396 1.434 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+]C[C@@H]2CCCN2C)C1(C)C ZINC000181580396 385557596 /nfs/dbraw/zinc/55/75/96/385557596.db2.gz PCXRGBKKXINXCP-AVGNSLFASA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CCc1ccc(O)cc1 ZINC000336649836 385595011 /nfs/dbraw/zinc/59/50/11/385595011.db2.gz HBMIAQISBKBQDE-NSHDSACASA-N 2 0 222.332 1.652 20 0 BDADRP Cn1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000250614386 385604873 /nfs/dbraw/zinc/60/48/73/385604873.db2.gz AWBOTEDFUAKKNQ-KBPBESRZSA-N 2 0 233.359 1.742 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000309425244 385578060 /nfs/dbraw/zinc/57/80/60/385578060.db2.gz XATZEJYOWFJXLL-RTXFEEFZSA-N 2 0 226.364 1.661 20 0 BDADRP CCSCC[NH2+][C@@H](C)CCN1CCOCC1 ZINC000309459179 385589595 /nfs/dbraw/zinc/58/95/95/385589595.db2.gz NLOIHTOYOZCJMN-LBPRGKRZSA-N 2 0 246.420 1.440 20 0 BDADRP CCCCOCC[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000082645433 385625732 /nfs/dbraw/zinc/62/57/32/385625732.db2.gz IDMIUYIQHQEQPD-OLZOCXBDSA-N 2 0 228.380 1.862 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1cccc(C)c1 ZINC000414849205 385625907 /nfs/dbraw/zinc/62/59/07/385625907.db2.gz XRXJILUMNZZNAX-GFCCVEGCSA-N 2 0 206.333 1.940 20 0 BDADRP Cc1n[nH]cc1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000108283662 385629232 /nfs/dbraw/zinc/62/92/32/385629232.db2.gz IXHHFCDZORYJGS-CHWSQXEVSA-N 2 0 234.347 1.435 20 0 BDADRP CSC1(C[NH2+][C@H](C)CCCC[NH3+])CC1 ZINC000336681706 385633777 /nfs/dbraw/zinc/63/37/77/385633777.db2.gz HKEIKUZLTMHQAD-SNVBAGLBSA-N 2 0 216.394 1.989 20 0 BDADRP Cc1n[nH]c(C)c1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000336478600 385633952 /nfs/dbraw/zinc/63/39/52/385633952.db2.gz UAHBIARNEINHPW-SKDRFNHKSA-N 2 0 236.363 1.586 20 0 BDADRP CSC1(C[NH2+]CC2CC2)CC[NH+](C)CC1 ZINC000336737953 385650073 /nfs/dbraw/zinc/65/00/73/385650073.db2.gz QWZMEXNIKWMNSH-UHFFFAOYSA-N 2 0 228.405 1.813 20 0 BDADRP c1ccc([C@@H]2C[C@@H]2[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000643367030 385655120 /nfs/dbraw/zinc/65/51/20/385655120.db2.gz YCTDPYKCMMDWBS-XGUBFFRZSA-N 2 0 228.339 1.694 20 0 BDADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000337461130 385672689 /nfs/dbraw/zinc/67/26/89/385672689.db2.gz KLYZKCBMBNHDQQ-MCIONIFRSA-N 2 0 240.391 1.733 20 0 BDADRP CC(C)CCOCCN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000336685317 385686867 /nfs/dbraw/zinc/68/68/67/385686867.db2.gz FWBFWOSNBREINX-KBPBESRZSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H](CCO)[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000309567738 385702974 /nfs/dbraw/zinc/70/29/74/385702974.db2.gz MRXMHTPKIKEBKT-XQHKEYJVSA-N 2 0 226.364 1.220 20 0 BDADRP CC[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000414851819 385666551 /nfs/dbraw/zinc/66/65/51/385666551.db2.gz VFMZKFZZWGPJIP-AVGNSLFASA-N 2 0 225.380 1.058 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCCO1 ZINC000336696446 385745825 /nfs/dbraw/zinc/74/58/25/385745825.db2.gz TXINPOGOFVWWRQ-MNOVXSKESA-N 2 0 200.326 1.273 20 0 BDADRP c1cn2c(n1)C[C@@H]([NH2+]Cc1cncs1)CC2 ZINC000309619240 385751184 /nfs/dbraw/zinc/75/11/84/385751184.db2.gz OPJIDXNVMBMBFF-VIFPVBQESA-N 2 0 234.328 1.444 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H](C)Cc1cccc(OC)n1 ZINC000414863130 385756905 /nfs/dbraw/zinc/75/69/05/385756905.db2.gz WULXXQVUJKDKMQ-NSHDSACASA-N 2 0 237.347 1.220 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CC2CCC1CC2 ZINC000336655725 385766496 /nfs/dbraw/zinc/76/64/96/385766496.db2.gz JMKWWALSFVMRQP-HOAMVYINSA-N 2 0 240.391 1.909 20 0 BDADRP C[N@H+]1CC=C(C[NH2+]CC[C@H]2CCOC2)CC1 ZINC000309678205 385782861 /nfs/dbraw/zinc/78/28/61/385782861.db2.gz YPJUAKSTNSXSAV-ZDUSSCGKSA-N 2 0 224.348 1.265 20 0 BDADRP CCn1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000647799872 385800034 /nfs/dbraw/zinc/80/00/34/385800034.db2.gz RYYWORHIAUISTB-FRRDWIJNSA-N 2 0 248.374 1.381 20 0 BDADRP COC[C@]1(C[NH2+][C@@H]2CC[C@H](C)C2)CCC[NH2+]1 ZINC000414947992 385806150 /nfs/dbraw/zinc/80/61/50/385806150.db2.gz WIWVGQCLRHRCKK-YNEHKIRRSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H](CC1CCOCC1)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414948161 385807598 /nfs/dbraw/zinc/80/75/98/385807598.db2.gz XUMPLQKEQJNHIP-YRGRVCCFSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@H]([NH3+])[C@H](C)NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000521434458 385829793 /nfs/dbraw/zinc/82/97/93/385829793.db2.gz ZKPLHHSKPCHWGM-SRVKXCTJSA-N 2 0 241.379 1.103 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000414869148 385833758 /nfs/dbraw/zinc/83/37/58/385833758.db2.gz AEJYYZNWZNFCED-LBPRGKRZSA-N 2 0 248.370 1.739 20 0 BDADRP C[NH2+]Cc1cccc(NCC(C)(C)[NH3+])c1 ZINC000414869413 385834850 /nfs/dbraw/zinc/83/48/50/385834850.db2.gz PYMCJUAHCCQQPY-UHFFFAOYSA-N 2 0 207.321 1.555 20 0 BDADRP C[C@@H]([NH2+]CCCC1CC[NH2+]CC1)[C@H]1CCCO1 ZINC000647802857 385836073 /nfs/dbraw/zinc/83/60/73/385836073.db2.gz VZAOREHGFHSFJP-TZMCWYRMSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H]1SCC[C@@H]1[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000647804189 385840783 /nfs/dbraw/zinc/84/07/83/385840783.db2.gz KYEOWSKAYOUSOY-WYUUTHIRSA-N 2 0 228.405 1.858 20 0 BDADRP C[C@H]([NH2+]CCN1CCCC1)[C@H]1CCCOC1 ZINC000336741049 385846284 /nfs/dbraw/zinc/84/62/84/385846284.db2.gz MVSOUPPOKBNYCR-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H]1C[C@@H]([N@H+](C)CCC[C@@H]2CCO2)CCN1C ZINC000638115487 385850437 /nfs/dbraw/zinc/85/04/37/385850437.db2.gz DDWKGGWHPBKKEQ-HZSPNIEDSA-N 2 0 240.391 1.970 20 0 BDADRP [NH3+]CCC1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000069729521 385854545 /nfs/dbraw/zinc/85/45/45/385854545.db2.gz XGNDOEIDKZOBNW-CYBMUJFWSA-N 2 0 226.364 1.474 20 0 BDADRP OC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647798090 385791598 /nfs/dbraw/zinc/79/15/98/385791598.db2.gz LATASBYMZHQBLB-IKOXMDCHSA-N 2 0 238.375 1.125 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@H](CCO)C(C)(C)C ZINC000336706200 385791735 /nfs/dbraw/zinc/79/17/35/385791735.db2.gz RLWMDOJFHKQNKO-WDEREUQCSA-N 2 0 216.369 1.501 20 0 BDADRP OC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647798092 385792384 /nfs/dbraw/zinc/79/23/84/385792384.db2.gz LATASBYMZHQBLB-PEBLQZBPSA-N 2 0 238.375 1.125 20 0 BDADRP FCCCCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000336708138 385793759 /nfs/dbraw/zinc/79/37/59/385793759.db2.gz SFZOYSQIGCXSMR-NEPJUHHUSA-N 2 0 214.328 1.668 20 0 BDADRP COc1cc(C[NH2+][C@H](C)CCCC[NH3+])ccn1 ZINC000336726201 385892363 /nfs/dbraw/zinc/89/23/63/385892363.db2.gz VHVWLDCHKZVJDE-LLVKDONJSA-N 2 0 237.347 1.697 20 0 BDADRP Cc1cc(CO)cc(NCC(C)(C)[NH+](C)C)n1 ZINC000647847871 385898166 /nfs/dbraw/zinc/89/81/66/385898166.db2.gz SRHKAXUYUGYEAP-UHFFFAOYSA-N 2 0 237.347 1.056 20 0 BDADRP CC1(C)C[NH2+]CCN1CCC[NH+]1CCCCC1 ZINC000647853001 385904932 /nfs/dbraw/zinc/90/49/32/385904932.db2.gz VZSQFRSMMYXRPB-UHFFFAOYSA-N 2 0 239.407 1.546 20 0 BDADRP CCC[NH2+]CCN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000414876488 385908759 /nfs/dbraw/zinc/90/87/59/385908759.db2.gz VYAZZNAACDFKEH-UONOGXRCSA-N 2 0 241.423 1.886 20 0 BDADRP CCCCOCC[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000122363309 385913826 /nfs/dbraw/zinc/91/38/26/385913826.db2.gz JYSOKKVUVOIJRY-RYUDHWBXSA-N 2 0 214.353 1.472 20 0 BDADRP c1cc2c(cc[nH+]c2N2CC[NH+](C3CC3)CC2)[nH]1 ZINC000647860987 385918585 /nfs/dbraw/zinc/91/85/85/385918585.db2.gz HZBHXJFKMKJCRO-UHFFFAOYSA-N 2 0 242.326 1.847 20 0 BDADRP C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000294927468 385919152 /nfs/dbraw/zinc/91/91/52/385919152.db2.gz DBNUWWNZPIUXIU-UWVGGRQHSA-N 2 0 247.342 1.254 20 0 BDADRP CC(C)N1C[C@@H](C)[C@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000335034167 385922914 /nfs/dbraw/zinc/92/29/14/385922914.db2.gz JOCNRAJIWUVUCN-BLYZHGLHSA-N 3 0 239.407 1.575 20 0 BDADRP CO[C@@H](C)C[N@H+](CC1CC[NH2+]CC1)C(C)C ZINC000160946151 385925472 /nfs/dbraw/zinc/92/54/72/385925472.db2.gz RMAJQBJXXOZXGH-LBPRGKRZSA-N 2 0 228.380 1.731 20 0 BDADRP CC[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cnn(C)c1 ZINC000271910506 385859483 /nfs/dbraw/zinc/85/94/83/385859483.db2.gz XXSVWNBYWHEOBS-AWEZNQCLSA-N 2 0 248.374 1.723 20 0 BDADRP CC(C)[C@H]1CCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000084126086 385864518 /nfs/dbraw/zinc/86/45/18/385864518.db2.gz VEEVBUFKYYICQY-CYBMUJFWSA-N 2 0 225.380 1.012 20 0 BDADRP C([NH2+][C@H]1CCC12CCC2)[C@H]1CCC[NH2+]C1 ZINC000335019552 385977727 /nfs/dbraw/zinc/97/77/27/385977727.db2.gz PXNXXJWKVICCLG-RYUDHWBXSA-N 2 0 208.349 1.908 20 0 BDADRP CC[C@@H](COC)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414972011 385978405 /nfs/dbraw/zinc/97/84/05/385978405.db2.gz XEXCSDQTXSVTKE-RYUDHWBXSA-N 2 0 214.353 1.533 20 0 BDADRP CC[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)C1CC1 ZINC000336747595 385979095 /nfs/dbraw/zinc/97/90/95/385979095.db2.gz XHTPYBABTDQWEA-GFCCVEGCSA-N 2 0 226.364 1.221 20 0 BDADRP [NH3+]C1(C[NH2+][C@@H]2CCc3ccccc3OC2)CCC1 ZINC000335021087 385979808 /nfs/dbraw/zinc/97/98/08/385979808.db2.gz AYPMQPIRKNGXSH-CYBMUJFWSA-N 2 0 246.354 1.851 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)[C@@H]1C[C@H]1C ZINC000414132658 385980594 /nfs/dbraw/zinc/98/05/94/385980594.db2.gz ZLSCLIZMKCBZGG-MBNYWOFBSA-N 2 0 240.391 1.325 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC1CC[NH+](C2CC2)CC1 ZINC000335022372 385982513 /nfs/dbraw/zinc/98/25/13/385982513.db2.gz DHQVVKHQHURMHJ-RISCZKNCSA-N 2 0 237.391 1.201 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](CC[C@H]2CCCO2)C1 ZINC000251092255 385934335 /nfs/dbraw/zinc/93/43/35/385934335.db2.gz INDFFHNGVQBPEB-QWHCGFSZSA-N 2 0 226.364 1.616 20 0 BDADRP CC1([NH3+])CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000647924062 385937918 /nfs/dbraw/zinc/93/79/18/385937918.db2.gz BFHVDACRLMYMDA-UHFFFAOYSA-N 3 0 239.407 1.579 20 0 BDADRP COc1cccc2c1CC[C@H]([NH2+]C[C@H](C)C[NH3+])C2 ZINC000414878666 385940828 /nfs/dbraw/zinc/94/08/28/385940828.db2.gz OOVVYPCNUJSKCJ-YPMHNXCESA-N 2 0 248.370 1.737 20 0 BDADRP CC[NH2+][C@H](C)CN[C@H](C)C[C@H]1CCC[NH2+]1 ZINC000414968962 385945413 /nfs/dbraw/zinc/94/54/13/385945413.db2.gz YUIWJQGILMCMCX-IJLUTSLNSA-N 2 0 213.369 1.105 20 0 BDADRP CC[C@H]1C[N@H+](CCC[NH+](CC)CC)C[C@@H]1O ZINC000338281814 385946117 /nfs/dbraw/zinc/94/61/17/385946117.db2.gz UUERCYVASRXGTR-STQMWFEESA-N 2 0 228.380 1.421 20 0 BDADRP CC[C@H]([NH2+]CCC[N@H+](C)CCOC)[C@H]1C[C@@H]1C ZINC000414075132 385948015 /nfs/dbraw/zinc/94/80/15/385948015.db2.gz XKDHJOCPQRCINS-IHRRRGAJSA-N 2 0 242.407 1.979 20 0 BDADRP COc1ccc(C[NH2+][C@@H](C)CC[NH3+])cc1O ZINC000414879337 385950529 /nfs/dbraw/zinc/95/05/29/385950529.db2.gz ILEKHCHXEZQBLP-VIFPVBQESA-N 2 0 224.304 1.228 20 0 BDADRP COCC1(C[NH2+][C@H](C)CC2CC2)CC[NH2+]CC1 ZINC000414973456 385993676 /nfs/dbraw/zinc/99/36/76/385993676.db2.gz LACRNRYOGTWNEU-GFCCVEGCSA-N 2 0 240.391 1.781 20 0 BDADRP C(CN1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000251415636 385954802 /nfs/dbraw/zinc/95/48/02/385954802.db2.gz RPGQEPPOLHEAMO-KBPBESRZSA-N 2 0 237.391 1.156 20 0 BDADRP Cc1c[nH+]ccc1N1CC[C@H](C[NH+](C)C)C1 ZINC000335056659 385956214 /nfs/dbraw/zinc/95/62/14/385956214.db2.gz XLENFFWIOFIKLT-GFCCVEGCSA-N 2 0 219.332 1.778 20 0 BDADRP Cc1c[nH+]ccc1N1CC[C@@H](C[NH+](C)C)C1 ZINC000335056671 385956231 /nfs/dbraw/zinc/95/62/31/385956231.db2.gz XLENFFWIOFIKLT-LBPRGKRZSA-N 2 0 219.332 1.778 20 0 BDADRP Cc1ccc(NC(=O)[C@@H](C)C[NH3+])c(C[NH+](C)C)c1 ZINC000285793999 385964391 /nfs/dbraw/zinc/96/43/91/385964391.db2.gz PEFWRDCTZGJNPF-NSHDSACASA-N 2 0 249.358 1.590 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NCC1([NH3+])CCCCC1 ZINC000335012374 385968552 /nfs/dbraw/zinc/96/85/52/385968552.db2.gz YYEDQMGYMHXRBV-OLZOCXBDSA-N 3 0 239.407 1.578 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCC12CCCC2)C1C[NH2+]C1 ZINC000335012238 385968708 /nfs/dbraw/zinc/96/87/08/385968708.db2.gz XHBUYVLCQBEANY-PWSUYJOCSA-N 2 0 208.349 1.907 20 0 BDADRP Cc1cc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)ccn1 ZINC000335012643 385968784 /nfs/dbraw/zinc/96/87/84/385968784.db2.gz RBVXEMNPWQFDRX-BXUZGUMPSA-N 2 0 233.359 1.868 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC12CCCC2)C1C[NH2+]C1 ZINC000335012236 385969386 /nfs/dbraw/zinc/96/93/86/385969386.db2.gz XHBUYVLCQBEANY-CMPLNLGQSA-N 2 0 208.349 1.907 20 0 BDADRP C[C@H]1C[N@H+](C)C[C@H]1NCC1([NH3+])CCCCC1 ZINC000335012180 385969594 /nfs/dbraw/zinc/96/95/94/385969594.db2.gz WYJPZTDUSNHNNM-NWDGAFQWSA-N 2 0 225.380 1.188 20 0 BDADRP CN(CCC[NH+]1CCCC1)C[C@H]1CCC[N@@H+]1C ZINC000643256280 386000214 /nfs/dbraw/zinc/00/02/14/386000214.db2.gz SUMKYCYPJLCCTA-CQSZACIVSA-N 2 0 239.407 1.498 20 0 BDADRP CCCC[N@H+](CCO)CCCC1CC[NH2+]CC1 ZINC000647869525 386020694 /nfs/dbraw/zinc/02/06/94/386020694.db2.gz MHDYDIYLJMQORB-UHFFFAOYSA-N 2 0 242.407 1.861 20 0 BDADRP C[N@H+](C[C@@H](O)C[NH3+])C[C@H]1CCCC(F)(F)C1 ZINC000336753423 386023245 /nfs/dbraw/zinc/02/32/45/386023245.db2.gz WHUOGMQLKARIIQ-UWVGGRQHSA-N 2 0 236.306 1.063 20 0 BDADRP CC[C@H]([NH3+])CNCc1cc2ccccc2[nH]c1=O ZINC000414976567 386027477 /nfs/dbraw/zinc/02/74/77/386027477.db2.gz IEQLWVGLNNPLFC-LBPRGKRZSA-N 2 0 245.326 1.767 20 0 BDADRP Cn1cc(CC[N@@H+]2CCC3(C2)CC[NH2+]CC3)cn1 ZINC000334428746 386036522 /nfs/dbraw/zinc/03/65/22/386036522.db2.gz YFYGDAWNHFJWLS-UHFFFAOYSA-N 2 0 248.374 1.038 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000414201740 386036992 /nfs/dbraw/zinc/03/69/92/386036992.db2.gz YLNHWPIRVSFHAH-UPJWGTAASA-N 2 0 228.380 1.731 20 0 BDADRP CCOC[C@H](C)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414979139 386052706 /nfs/dbraw/zinc/05/27/06/386052706.db2.gz VCGOKWHTUZMJQY-NWDGAFQWSA-N 2 0 214.353 1.533 20 0 BDADRP CCOC[C@@H](C)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414979142 386052865 /nfs/dbraw/zinc/05/28/65/386052865.db2.gz VCGOKWHTUZMJQY-VXGBXAGGSA-N 2 0 214.353 1.533 20 0 BDADRP COc1cc(C)c(C[NH2+][C@@H](C)CC[NH3+])c(C)n1 ZINC000414888436 386102956 /nfs/dbraw/zinc/10/29/56/386102956.db2.gz RMOJGCIWHVKICK-JTQLQIEISA-N 2 0 237.347 1.534 20 0 BDADRP COCC[NH2+]CCNC/C=C\c1ccccc1 ZINC000414888391 386104244 /nfs/dbraw/zinc/10/42/44/386104244.db2.gz RNNBTOHQQKIUMX-YVMONPNESA-N 2 0 234.343 1.525 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)CC[NH2+]1 ZINC000414664090 386106655 /nfs/dbraw/zinc/10/66/55/386106655.db2.gz SYMOOAKSTVIFGQ-UMSGYPCISA-N 2 0 225.380 1.044 20 0 BDADRP C[NH2+]C1CCN(C[C@H]([NH3+])CC(C)C)CC1 ZINC000414666910 386115104 /nfs/dbraw/zinc/11/51/04/386115104.db2.gz GSZFMKGBJCCJCK-LLVKDONJSA-N 2 0 213.369 1.044 20 0 BDADRP C[NH2+]C[C@@H]1CCCN1C[C@@H]([NH3+])CC(C)C ZINC000414653625 386069569 /nfs/dbraw/zinc/06/95/69/386069569.db2.gz AYJLCZHYWTUPTH-RYUDHWBXSA-N 2 0 213.369 1.044 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[NH2+][C@H](C)[C@H]1C ZINC000414654993 386078957 /nfs/dbraw/zinc/07/89/57/386078957.db2.gz CRDXJQGPQADOOE-UTUOFQBUSA-N 2 0 213.369 1.042 20 0 BDADRP CCOC(=O)c1ccc(CNC[C@H]([NH3+])CC)o1 ZINC000414983997 386082143 /nfs/dbraw/zinc/08/21/43/386082143.db2.gz UNDHOFQCPWAFJL-SECBINFHSA-N 2 0 240.303 1.283 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CCC[C@H](C)[C@H]1C[NH3+] ZINC000414657124 386085737 /nfs/dbraw/zinc/08/57/37/386085737.db2.gz JPVLXJWPYCKRIE-RWMBFGLXSA-N 2 0 227.396 1.419 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CCN(CC[NH2+]C(C)(C)C)C1 ZINC000414660013 386092143 /nfs/dbraw/zinc/09/21/43/386092143.db2.gz LZOCDYIGZVPKFJ-MNOVXSKESA-N 2 0 213.369 1.044 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CCC[N@@H+](C(C)C)CC1 ZINC000414673121 386144837 /nfs/dbraw/zinc/14/48/37/386144837.db2.gz QGWBTOBZUWGISJ-AWEZNQCLSA-N 2 0 241.423 1.776 20 0 BDADRP COC(=O)[C@@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414673866 386147559 /nfs/dbraw/zinc/14/75/59/386147559.db2.gz CZLBAFWGFWMELO-TUAOUCFPSA-N 2 0 240.347 1.012 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414674341 386148337 /nfs/dbraw/zinc/14/83/37/386148337.db2.gz QEOMMTFJXBHUJS-AGIUHOORSA-N 3 0 239.407 1.434 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000414677158 386152593 /nfs/dbraw/zinc/15/25/93/386152593.db2.gz WHEPAYPGHICTJY-CYDGBPFRSA-N 2 0 225.380 1.029 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000414992041 386152916 /nfs/dbraw/zinc/15/29/16/386152916.db2.gz QXIXVFXGJNLQOF-TUAOUCFPSA-N 2 0 214.353 1.517 20 0 BDADRP CC(C)[N@H+](CCO)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414677742 386156614 /nfs/dbraw/zinc/15/66/14/386156614.db2.gz JMKGCMONHNYVCE-RYUDHWBXSA-N 2 0 214.353 1.077 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+]CCCc1ccc(C)nc1 ZINC000414992815 386158548 /nfs/dbraw/zinc/15/85/48/386158548.db2.gz SBDIFYFXWVKWPY-CYBMUJFWSA-N 2 0 221.348 1.650 20 0 BDADRP CC[C@H](COC)[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414992745 386159335 /nfs/dbraw/zinc/15/93/35/386159335.db2.gz CATCKYYEEXDZBF-GRYCIOLGSA-N 2 0 214.353 1.519 20 0 BDADRP Cc1ccc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)nc1 ZINC000414995847 386179023 /nfs/dbraw/zinc/17/90/23/386179023.db2.gz NYZZKPAOJVLBRH-QWHCGFSZSA-N 2 0 233.359 1.997 20 0 BDADRP Cc1ccc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)nc1 ZINC000414995843 386180280 /nfs/dbraw/zinc/18/02/80/386180280.db2.gz NYZZKPAOJVLBRH-OLZOCXBDSA-N 2 0 233.359 1.997 20 0 BDADRP CO[C@H](C)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000188124534 386187576 /nfs/dbraw/zinc/18/75/76/386187576.db2.gz BYKNFEMYJSJKJV-LLVKDONJSA-N 2 0 228.380 1.874 20 0 BDADRP CCOCCC[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000164665955 386188670 /nfs/dbraw/zinc/18/86/70/386188670.db2.gz IUDIVEWDQBUNEU-NWDGAFQWSA-N 2 0 214.353 1.330 20 0 BDADRP [NH3+]CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000414693193 386188785 /nfs/dbraw/zinc/18/87/85/386188785.db2.gz LHQDYSQJLCGKSH-LBPRGKRZSA-N 2 0 222.307 1.964 20 0 BDADRP CCn1nc(C)c(C[NH2+][C@@H](C)CC[NH3+])c1C ZINC000414890616 386124867 /nfs/dbraw/zinc/12/48/67/386124867.db2.gz UGWMEUQBBUEMOX-VIFPVBQESA-N 2 0 224.352 1.347 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+]C1Cc2ccccc2C1 ZINC000414997086 386189118 /nfs/dbraw/zinc/18/91/18/386189118.db2.gz YSMJKZIFWVITSK-GFCCVEGCSA-N 2 0 204.317 1.481 20 0 BDADRP NC(=O)c1ccc(C[N@H+](CCC[NH3+])C2CC2)cc1 ZINC000414670003 386134723 /nfs/dbraw/zinc/13/47/23/386134723.db2.gz CKDPWHHKFBDPRS-UHFFFAOYSA-N 2 0 247.342 1.099 20 0 BDADRP CCOC[C@H]1CC[N@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000414699789 386203533 /nfs/dbraw/zinc/20/35/33/386203533.db2.gz FONVKUSYBKVNBU-STQMWFEESA-N 2 0 228.380 1.718 20 0 BDADRP Cc1nn(C(C)C)cc1C[NH2+][C@@H](C)CC[NH3+] ZINC000414896597 386205286 /nfs/dbraw/zinc/20/52/86/386205286.db2.gz POEWPNGUWNFBMK-JTQLQIEISA-N 2 0 224.352 1.599 20 0 BDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000343190329 386216536 /nfs/dbraw/zinc/21/65/36/386216536.db2.gz DQGVDMRAXZQENV-XBFCOCLRSA-N 2 0 246.354 1.530 20 0 BDADRP CCC[N@H+](CCC[NH3+])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000414706020 386220788 /nfs/dbraw/zinc/22/07/88/386220788.db2.gz OFTDSZWOFVUFQU-JHJVBQTASA-N 2 0 240.391 1.861 20 0 BDADRP CCC(CC)(CO)[NH2+]C[C@@H]([NH3+])CC(C)C ZINC000414706958 386222749 /nfs/dbraw/zinc/22/27/49/386222749.db2.gz LWDKCJOUMMFUAP-NSHDSACASA-N 2 0 216.369 1.501 20 0 BDADRP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]1C[C@H](C)O ZINC000414709267 386223147 /nfs/dbraw/zinc/22/31/47/386223147.db2.gz QRBMEXNPCCYKED-RWMBFGLXSA-N 2 0 228.380 1.595 20 0 BDADRP Cc1cc(C[N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)no1 ZINC000414711405 386227195 /nfs/dbraw/zinc/22/71/95/386227195.db2.gz TXIUTFMCFIACMO-JQWIXIFHSA-N 2 0 237.347 1.803 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CSC[C@@H]1C ZINC000308446368 386231998 /nfs/dbraw/zinc/23/19/98/386231998.db2.gz ASDIPOUEEWVXHH-AXFHLTTASA-N 2 0 216.394 1.668 20 0 BDADRP C[C@H]1CN(C)C[C@H]1[NH2+]CCN1CCCCCC1 ZINC000343195059 386238508 /nfs/dbraw/zinc/23/85/08/386238508.db2.gz ZSBMVUMVIULPOX-UONOGXRCSA-N 2 0 239.407 1.402 20 0 BDADRP [NH3+]CCCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000414899377 386243988 /nfs/dbraw/zinc/24/39/88/386243988.db2.gz FVISEFJDOWXAOS-QJPTWQEYSA-N 2 0 224.348 1.273 20 0 BDADRP C[C@@H](C[NH3+])N(C)Cc1c[nH]nc1-c1ccccc1 ZINC000347091723 386245010 /nfs/dbraw/zinc/24/50/10/386245010.db2.gz GBQBJPGDMLBNPG-NSHDSACASA-N 2 0 244.342 1.856 20 0 BDADRP C[C@@H](c1cccnc1)N1CCc2nc[nH]c2C1 ZINC000647932889 386251506 /nfs/dbraw/zinc/25/15/06/386251506.db2.gz UEDKYQRJWZNXMD-JTQLQIEISA-N 2 0 228.299 1.924 20 0 BDADRP COC[C@H](C)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000297417981 386254832 /nfs/dbraw/zinc/25/48/32/386254832.db2.gz DKJLPEKLBQCURL-JTQLQIEISA-N 2 0 219.288 1.459 20 0 BDADRP CCC1(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])COC1 ZINC000393959540 386257042 /nfs/dbraw/zinc/25/70/42/386257042.db2.gz BESVJSFVJQOXSD-NWDGAFQWSA-N 2 0 226.364 1.520 20 0 BDADRP CO[C@H](C)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000336648233 386257818 /nfs/dbraw/zinc/25/78/18/386257818.db2.gz OHFULBQPOLKWAY-LLVKDONJSA-N 2 0 214.353 1.295 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+]C[C@@H]([NH3+])C2CC2)CCO1 ZINC000414895778 386193982 /nfs/dbraw/zinc/19/39/82/386193982.db2.gz ZLLFKIDBYPMEJG-RAIGVLPGSA-N 2 0 226.364 1.519 20 0 BDADRP CC[C@@H]1C[C@@H](C[NH2+]C[C@@H]([NH3+])C2CC2)CCO1 ZINC000414895777 386194215 /nfs/dbraw/zinc/19/42/15/386194215.db2.gz ZLLFKIDBYPMEJG-CYZMBNFOSA-N 2 0 226.364 1.519 20 0 BDADRP CCC[C@](C)(CO)[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414696250 386196702 /nfs/dbraw/zinc/19/67/02/386196702.db2.gz BJORURJIBNTUET-YNEHKIRRSA-N 2 0 228.380 1.515 20 0 BDADRP C([C@H]1CCCCO1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310555326 386197924 /nfs/dbraw/zinc/19/79/24/386197924.db2.gz HZHRYBFVLDSTRU-HZSPNIEDSA-N 2 0 238.375 1.487 20 0 BDADRP CCn1cncc1CNc1ccc2c([nH+]1)CCC2 ZINC000416426360 386301202 /nfs/dbraw/zinc/30/12/02/386301202.db2.gz IVJGNPVYAMHVCW-UHFFFAOYSA-N 2 0 242.326 1.821 20 0 BDADRP [NH3+]CCCC[NH2+]Cc1ccnn1-c1ccccc1 ZINC000414901974 386304531 /nfs/dbraw/zinc/30/45/31/386304531.db2.gz JHPYXSAMLMSFDB-UHFFFAOYSA-N 2 0 244.342 1.701 20 0 BDADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C[N@H+](C)C(C)C ZINC000236736872 386305904 /nfs/dbraw/zinc/30/59/04/386305904.db2.gz ZXDDYDOQTUYYRH-LBPRGKRZSA-N 2 0 243.395 1.158 20 0 BDADRP CC[N@@H+]1C[C@@H](C)N(CC[NH2+]C(C)(C)C)C[C@H]1C ZINC000414735249 386311127 /nfs/dbraw/zinc/31/11/27/386311127.db2.gz GRFNKPJVHUFEME-CHWSQXEVSA-N 2 0 241.423 1.789 20 0 BDADRP Cc1nocc1C[NH2+]CCC1CC[NH+](C)CC1 ZINC000339237023 386312629 /nfs/dbraw/zinc/31/26/29/386312629.db2.gz KZMHAKACHXOOQI-UHFFFAOYSA-N 2 0 237.347 1.805 20 0 BDADRP Cc1ccc(O)c(C[NH+]2CCC(C[NH3+])CC2)n1 ZINC000091996064 386318258 /nfs/dbraw/zinc/31/82/58/386318258.db2.gz KOFYQFYKVAHMPF-UHFFFAOYSA-N 2 0 235.331 1.266 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[NH2+][C@@H](CO)C(C)(C)C ZINC000414740866 386322383 /nfs/dbraw/zinc/32/23/83/386322383.db2.gz LTPVTFIAHSONKH-MNOVXSKESA-N 2 0 216.369 1.356 20 0 BDADRP CO[C@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000336652980 386270034 /nfs/dbraw/zinc/27/00/34/386270034.db2.gz XKFGWSVHHYRIFF-RYUDHWBXSA-N 2 0 212.337 1.191 20 0 BDADRP Cc1nccn1CCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428039475 386270288 /nfs/dbraw/zinc/27/02/88/386270288.db2.gz FGLYGPVADCYIQD-KGLIPLIRSA-N 2 0 248.374 1.265 20 0 BDADRP C([C@@H]1CC[NH2+]C1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000647987600 386276365 /nfs/dbraw/zinc/27/63/65/386276365.db2.gz HWYSKDODFWVIEH-HZSPNIEDSA-N 2 0 237.391 1.060 20 0 BDADRP C(CN1CC[C@@H]2CC[NH2+][C@@H]2C1)C1CC[NH2+]CC1 ZINC000647987718 386279090 /nfs/dbraw/zinc/27/90/90/386279090.db2.gz TWMDYDOBQVEDNY-UONOGXRCSA-N 2 0 237.391 1.060 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCC[C@@H](C)O)C1 ZINC000336682731 386340092 /nfs/dbraw/zinc/34/00/92/386340092.db2.gz YPOJKIBVHYNFLB-OLZOCXBDSA-N 2 0 228.380 1.421 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CCN1CCC[C@](F)(CO)C1 ZINC000347351519 386346915 /nfs/dbraw/zinc/34/69/15/386346915.db2.gz XJLNTRMMIDNNRT-CHWSQXEVSA-N 2 0 244.354 1.267 20 0 BDADRP c1cc2c(c(C[NH2+]C[C@H]3CC[NH2+]C3)c1)NCC2 ZINC000414905026 386359684 /nfs/dbraw/zinc/35/96/84/386359684.db2.gz KZSNBFQQZJINML-NSHDSACASA-N 2 0 231.343 1.354 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@H](C3CC3)C2)CC[NH2+]1 ZINC000414748039 386359683 /nfs/dbraw/zinc/35/96/83/386359683.db2.gz UBGTXONFJMMING-DYEKYZERSA-N 2 0 238.375 1.485 20 0 BDADRP C([NH2+][C@@H]1CCCC[NH2+]C1)[C@@H]1CCSC1 ZINC000335271792 386361568 /nfs/dbraw/zinc/36/15/68/386361568.db2.gz VHJGGEMHLHSJPR-WDEREUQCSA-N 2 0 214.378 1.471 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000647890117 386366608 /nfs/dbraw/zinc/36/66/08/386366608.db2.gz QQQBNCDINGGDDY-ZDUSSCGKSA-N 2 0 238.306 1.548 20 0 BDADRP C[C@H]1C[C@@H](C[N@H+](C)C[C@H]2CCCO2)CC[NH2+]1 ZINC000414749739 386367226 /nfs/dbraw/zinc/36/72/26/386367226.db2.gz YTTYXAJJWPTPPX-RWMBFGLXSA-N 2 0 226.364 1.485 20 0 BDADRP CC(C)[C@H]1C[C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)CCO1 ZINC000414906072 386372056 /nfs/dbraw/zinc/37/20/56/386372056.db2.gz ORGVJECSXZIUGP-HZSPNIEDSA-N 2 0 240.391 1.922 20 0 BDADRP C[NH2+]Cc1ccccc1NC(=O)CCC1C[NH2+]C1 ZINC000637808512 386372562 /nfs/dbraw/zinc/37/25/62/386372562.db2.gz JDGJGAYWLMOCNS-UHFFFAOYSA-N 2 0 247.342 1.344 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCC[NH+](C)C)[C@H](C)C1 ZINC000347383634 386376534 /nfs/dbraw/zinc/37/65/34/386376534.db2.gz YMWFZWBWTIOUBQ-ZIAGYGMSSA-N 3 0 241.423 1.648 20 0 BDADRP COC[C@@H]1CC[N@H+](CCCn2ccnc2C)C1 ZINC000336677310 386327034 /nfs/dbraw/zinc/32/70/34/386327034.db2.gz AZTJGXLQGMBMJL-CYBMUJFWSA-N 2 0 237.347 1.550 20 0 BDADRP C[C@H](CC[NH3+])N[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000414903423 386332779 /nfs/dbraw/zinc/33/27/79/386332779.db2.gz ZQGIIGPZZGQBLB-AGIUHOORSA-N 2 0 227.396 1.624 20 0 BDADRP C[C@H](C[N@H+](C)C[C@H]1CC[NH2+]C1)c1nccs1 ZINC000647989103 386336030 /nfs/dbraw/zinc/33/60/30/386336030.db2.gz IVNKFKWJFIOCSD-MNOVXSKESA-N 2 0 239.388 1.788 20 0 BDADRP C[C@@H](O)CCC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000336681461 386337028 /nfs/dbraw/zinc/33/70/28/386337028.db2.gz DSBQANXYHWMJLU-ZIAGYGMSSA-N 2 0 242.407 1.954 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+](C)[C@H]2CCC[NH2+]CC2)CC[NH2+]1 ZINC000414753672 386388647 /nfs/dbraw/zinc/38/86/47/386388647.db2.gz QPLUXLMVDWURAZ-MCIONIFRSA-N 2 0 239.407 1.448 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(C)CCOC2)[C@H](C)C1 ZINC000347430312 386400188 /nfs/dbraw/zinc/40/01/88/386400188.db2.gz ODMAMDIQBDJWDJ-HZSPNIEDSA-N 2 0 240.391 1.733 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](OC)C(C)C)[C@@H](C)C1 ZINC000347436853 386401682 /nfs/dbraw/zinc/40/16/82/386401682.db2.gz XDBAKSAUJIYMER-IHRRRGAJSA-N 2 0 242.407 1.977 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C[C@H]1O ZINC000414757896 386405967 /nfs/dbraw/zinc/40/59/67/386405967.db2.gz LXUYXGOCNIVZQT-UMSGYPCISA-N 2 0 226.364 1.077 20 0 BDADRP Cc1cc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])ccn1 ZINC000391121443 386410771 /nfs/dbraw/zinc/41/07/71/386410771.db2.gz JKWXQCRMWQFJPG-QWHCGFSZSA-N 2 0 219.332 1.607 20 0 BDADRP CC[C@H](C)[N@H+](CCO)CCC[NH+]1CCCCC1 ZINC000347455720 386412921 /nfs/dbraw/zinc/41/29/21/386412921.db2.gz OARUEQPVKJQEPX-AWEZNQCLSA-N 2 0 242.407 1.955 20 0 BDADRP CO[C@@H](C)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000336710703 386426872 /nfs/dbraw/zinc/42/68/72/386426872.db2.gz LKOXHGATAWNKGG-JSGCOSHPSA-N 2 0 240.391 1.685 20 0 BDADRP C[N@H+](Cc1ccc(C(N)=O)cc1)CC(C)(C)C[NH3+] ZINC000093874118 386431545 /nfs/dbraw/zinc/43/15/45/386431545.db2.gz DINVLENDMRXNKK-UHFFFAOYSA-N 2 0 249.358 1.202 20 0 BDADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C1CC(OC)C1 ZINC000347473104 386432131 /nfs/dbraw/zinc/43/21/31/386432131.db2.gz UEPVGUMQUQYEDV-OTTFEQOBSA-N 2 0 244.379 1.110 20 0 BDADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCC(C)(C)C2)CC1 ZINC000334449401 386433139 /nfs/dbraw/zinc/43/31/39/386433139.db2.gz QACLARCQQBLORI-GFCCVEGCSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CCCOC2)C[C@H]1C[NH3+] ZINC000397312743 386436083 /nfs/dbraw/zinc/43/60/83/386436083.db2.gz PKKOKHACEFXEJF-ZOBORPQBSA-N 2 0 240.391 1.718 20 0 BDADRP CC[C@@H]1C[N@H+](CCOCC2CC2)CC[C@@H]1[NH3+] ZINC000647936509 386528815 /nfs/dbraw/zinc/52/88/15/386528815.db2.gz GLQXTHZYILOPCX-OLZOCXBDSA-N 2 0 226.364 1.472 20 0 BDADRP [NH3+]CCCN(CC1CCCC1)CC1(C[NH3+])CC1 ZINC000414777656 386484835 /nfs/dbraw/zinc/48/48/35/386484835.db2.gz DPKOOTKPBHQNBT-UHFFFAOYSA-N 3 0 239.407 1.566 20 0 BDADRP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]CCC1CCCCCC1 ZINC000414778184 386485039 /nfs/dbraw/zinc/48/50/39/386485039.db2.gz DYCWTNKQZYLULR-KBPBESRZSA-N 2 0 240.391 1.517 20 0 BDADRP C[C@@H](CC1CC1)[NH2+]CCCN1CC[NH2+]CC1 ZINC000414778708 386485235 /nfs/dbraw/zinc/48/52/35/386485235.db2.gz IKSSSUGBSWMFSX-LBPRGKRZSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cnccn1 ZINC000227499096 386485659 /nfs/dbraw/zinc/48/56/59/386485659.db2.gz ZROIINVPANHULP-LBPRGKRZSA-N 2 0 248.374 1.859 20 0 BDADRP CCSCC[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000336779036 386485737 /nfs/dbraw/zinc/48/57/37/386485737.db2.gz NARZALUAERGVFU-UHFFFAOYSA-N 2 0 246.420 1.176 20 0 BDADRP COCC(C)(C)C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415015309 386500493 /nfs/dbraw/zinc/50/04/93/386500493.db2.gz YFJSCYSHDCZDNB-QWHCGFSZSA-N 2 0 240.391 1.637 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cncc(F)c1 ZINC000415017897 386502859 /nfs/dbraw/zinc/50/28/59/386502859.db2.gz SREFIEVLFOOHFY-JTQLQIEISA-N 2 0 225.311 1.828 20 0 BDADRP COC[C@H](CC(C)C)[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415043914 386529760 /nfs/dbraw/zinc/52/97/60/386529760.db2.gz SGIMUTFUQFJLOU-UPJWGTAASA-N 2 0 228.380 1.765 20 0 BDADRP COc1ccc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000415050261 386507276 /nfs/dbraw/zinc/50/72/76/386507276.db2.gz YETJSGXHQIAXJI-OLZOCXBDSA-N 2 0 234.343 1.912 20 0 BDADRP C1CC1[C@@H]1CCC[C@@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415020006 386508244 /nfs/dbraw/zinc/50/82/44/386508244.db2.gz AOLSAFFQULOVMP-IEECTRCBSA-N 2 0 206.333 1.373 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000415020313 386508947 /nfs/dbraw/zinc/50/89/47/386508947.db2.gz XAAMCLZFXWVOAU-JHJVBQTASA-N 3 0 227.396 1.482 20 0 BDADRP Cn1cc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cn1 ZINC000415021182 386510377 /nfs/dbraw/zinc/51/03/77/386510377.db2.gz HOCVHOOSTUCMSH-HAQNSBGRSA-N 2 0 236.363 1.275 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc2c(c1)COC2 ZINC000415023225 386511617 /nfs/dbraw/zinc/51/16/17/386511617.db2.gz MLSBKDMYCWDJTG-NSHDSACASA-N 2 0 234.343 1.934 20 0 BDADRP Cc1n[nH]cc1C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415027856 386515811 /nfs/dbraw/zinc/51/58/11/386515811.db2.gz XGLIRBAWGTXARD-HAQNSBGRSA-N 2 0 236.363 1.573 20 0 BDADRP COCCC1(C[NH2+][C@H](C)CCC[NH3+])CCC1 ZINC000415026398 386515934 /nfs/dbraw/zinc/51/59/34/386515934.db2.gz UFPATOAVWZJSPM-GFCCVEGCSA-N 2 0 228.380 1.910 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)C1CCCCC1 ZINC000415032144 386519187 /nfs/dbraw/zinc/51/91/87/386519187.db2.gz FRMILFHFJCFKDH-JSGCOSHPSA-N 2 0 240.391 1.923 20 0 BDADRP CCOC[C@H](C)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414916245 386521251 /nfs/dbraw/zinc/52/12/51/386521251.db2.gz PGVGAMQKXASLIW-NWDGAFQWSA-N 2 0 214.353 1.391 20 0 BDADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cccs2)C1 ZINC000415038360 386523317 /nfs/dbraw/zinc/52/33/17/386523317.db2.gz NGWYSHLWUIHZDR-UWVGGRQHSA-N 2 0 210.346 1.965 20 0 BDADRP CCCC[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415035972 386524835 /nfs/dbraw/zinc/52/48/35/386524835.db2.gz JMDQVDROYMRDPJ-RYUDHWBXSA-N 2 0 214.353 1.533 20 0 BDADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cccc3c2NCC3)C1 ZINC000415040730 386526884 /nfs/dbraw/zinc/52/68/84/386526884.db2.gz PHFUQIHCDLAVCM-BXUZGUMPSA-N 2 0 245.370 1.872 20 0 BDADRP Cc1ncccc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000414787897 386528315 /nfs/dbraw/zinc/52/83/15/386528315.db2.gz CWPFVIUKOZLCHJ-DGCLKSJQSA-N 2 0 219.332 1.607 20 0 BDADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NC1CC[NH2+]CC1 ZINC000414774516 386465831 /nfs/dbraw/zinc/46/58/31/386465831.db2.gz BLKDGGIFSKDGSQ-JSGCOSHPSA-N 2 0 239.407 1.639 20 0 BDADRP CC[NH+](CC)CCCN1CCC[C@@H]([NH2+]C)C1 ZINC000070584513 386574176 /nfs/dbraw/zinc/57/41/76/386574176.db2.gz NIPDLJDCCYBGKU-CYBMUJFWSA-N 2 0 227.396 1.402 20 0 BDADRP CS[C@@H]1CC[C@H]1[NH2+][C@H](C)CC[NH+](C)C ZINC000336644458 386588038 /nfs/dbraw/zinc/58/80/38/386588038.db2.gz ALOSZZNCZVNSNL-GMTAPVOTSA-N 2 0 216.394 1.810 20 0 BDADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)[C@H]1CCOC1 ZINC000453404241 386588660 /nfs/dbraw/zinc/58/86/60/386588660.db2.gz PJJTXSQWQCWIGB-STQMWFEESA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)(C)[NH2+]CCN[C@H]1CCCC[C@H]1C[NH3+] ZINC000414799208 386589257 /nfs/dbraw/zinc/58/92/57/386589257.db2.gz JWVOKGOUXNSTJD-RYUDHWBXSA-N 2 0 227.396 1.482 20 0 BDADRP Cc1ccccc1OCC[NH2+]C1CC[NH2+]CC1 ZINC000415081125 386593094 /nfs/dbraw/zinc/59/30/94/386593094.db2.gz KDWVMMAGPAZBAW-UHFFFAOYSA-N 2 0 234.343 1.715 20 0 BDADRP Cc1ncccc1C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415045945 386531166 /nfs/dbraw/zinc/53/11/66/386531166.db2.gz URKBXKVVLJYIBD-WCQYABFASA-N 2 0 219.332 1.607 20 0 BDADRP COc1ccsc1C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415048654 386533829 /nfs/dbraw/zinc/53/38/29/386533829.db2.gz XAHVDVIIIUGPSP-ZJUUUORDSA-N 2 0 240.372 1.974 20 0 BDADRP C[C@@H](C[C@H]1CCC[NH2+]1)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415047081 386534875 /nfs/dbraw/zinc/53/48/75/386534875.db2.gz AFEOQYYJQLYNQL-XJFOESAGSA-N 2 0 239.407 1.434 20 0 BDADRP CC(C)CC[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414789765 386539622 /nfs/dbraw/zinc/53/96/22/386539622.db2.gz YXMZENIVBNMOCL-ZDUSSCGKSA-N 2 0 240.391 1.720 20 0 BDADRP C[C@@H]1C[C@H](CNc2ccc(C[NH3+])cc2)CC[NH2+]1 ZINC000414918411 386540710 /nfs/dbraw/zinc/54/07/10/386540710.db2.gz YPCFACGBSOFMQL-DGCLKSJQSA-N 2 0 233.359 1.945 20 0 BDADRP CCn1cc(CN[C@@H](C[NH3+])C(C)(C)C)cn1 ZINC000415059701 386540994 /nfs/dbraw/zinc/54/09/94/386540994.db2.gz VLUGKUCEUOYCGO-NSHDSACASA-N 2 0 224.352 1.366 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+][C@@H](CN)C(C)(C)C)CC[NH2+]1 ZINC000415057826 386542078 /nfs/dbraw/zinc/54/20/78/386542078.db2.gz UMDDOGQLHJPRQF-WOPDTQHZSA-N 2 0 227.396 1.338 20 0 BDADRP CCn1cc(CN[C@H](C[NH3+])C(C)(C)C)cn1 ZINC000415059700 386542509 /nfs/dbraw/zinc/54/25/09/386542509.db2.gz VLUGKUCEUOYCGO-LLVKDONJSA-N 2 0 224.352 1.366 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)NCCC[NH2+]C1CC1 ZINC000415065964 386546916 /nfs/dbraw/zinc/54/69/16/386546916.db2.gz IBRQMOHUHYVVSI-YPMHNXCESA-N 2 0 225.380 1.249 20 0 BDADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)C(C)(C)C ZINC000336755909 386548032 /nfs/dbraw/zinc/54/80/32/386548032.db2.gz JAHHVDAQGWKQLE-LLVKDONJSA-N 2 0 216.369 1.589 20 0 BDADRP CC[C@H]1C[N@H+](CCCCCOC)CC[C@H]1[NH3+] ZINC000647936818 386556855 /nfs/dbraw/zinc/55/68/55/386556855.db2.gz LUBLWSUXTWUTMC-QWHCGFSZSA-N 2 0 228.380 1.862 20 0 BDADRP CCc1ccccc1[C@H]([NH3+])CNCC(C)(C)[NH3+] ZINC000415073021 386561197 /nfs/dbraw/zinc/56/11/97/386561197.db2.gz YTTAWYJJJIELGE-CYBMUJFWSA-N 2 0 235.375 1.576 20 0 BDADRP COCC(C)(C)C[NH2+]C[C@H]([NH3+])C(C)C ZINC000414796179 386566161 /nfs/dbraw/zinc/56/61/61/386566161.db2.gz NSXRBPVHMDAZJU-JTQLQIEISA-N 2 0 202.342 1.232 20 0 BDADRP CC[N@@H+]1CCCC[C@H]1CN[C@H]1CCC[NH2+]C1 ZINC000415074625 386567205 /nfs/dbraw/zinc/56/72/05/386567205.db2.gz DAOICYHHHPPGAF-STQMWFEESA-N 2 0 225.380 1.202 20 0 BDADRP [NH3+]CCCN(c1cccc(F)c1)[C@@H]1CC[NH2+]C1 ZINC000415113274 386620380 /nfs/dbraw/zinc/62/03/80/386620380.db2.gz DWPFMFVRVKMZKI-CYBMUJFWSA-N 2 0 237.322 1.343 20 0 BDADRP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)C1CCOCC1 ZINC000335497929 386623869 /nfs/dbraw/zinc/62/38/69/386623869.db2.gz AZYAWOANITWPRQ-AAEUAGOBSA-N 2 0 226.364 1.533 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000414808950 386624032 /nfs/dbraw/zinc/62/40/32/386624032.db2.gz SVGYYPCWZUFAPA-RWMBFGLXSA-N 2 0 227.396 1.467 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414808948 386624951 /nfs/dbraw/zinc/62/49/51/386624951.db2.gz SVGYYPCWZUFAPA-FRRDWIJNSA-N 2 0 227.396 1.467 20 0 BDADRP C[C@@H](C[NH2+]Cc1ccccc1)C[NH+](C)C ZINC000291785629 386625447 /nfs/dbraw/zinc/62/54/47/386625447.db2.gz VLPNPTUJGYZFKF-LBPRGKRZSA-N 2 0 206.333 1.974 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)CC[NH2+]1 ZINC000415126028 386627297 /nfs/dbraw/zinc/62/72/97/386627297.db2.gz LWDNJXXLLUKTKI-REWJHTLYSA-N 3 0 239.407 1.291 20 0 BDADRP Cc1nn(C)cc1[C@@H](C)NC[C@@H]([NH3+])CC(C)C ZINC000415106160 386629047 /nfs/dbraw/zinc/62/90/47/386629047.db2.gz MRXLRLYRGNZNOV-PWSUYJOCSA-N 2 0 238.379 1.753 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000414811628 386637126 /nfs/dbraw/zinc/63/71/26/386637126.db2.gz PZTASMLQRGKKIM-TZMCWYRMSA-N 3 0 247.386 1.796 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CN(C)C[C@H]1C)CC(C)C ZINC000417369567 386644567 /nfs/dbraw/zinc/64/45/67/386644567.db2.gz PLTQERSOMOECAO-AGIUHOORSA-N 2 0 228.380 1.587 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CC12CC2 ZINC000417372459 386644681 /nfs/dbraw/zinc/64/46/81/386644681.db2.gz XDUBZMPUDUQVRB-WOPDTQHZSA-N 2 0 208.349 1.716 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000414803750 386599110 /nfs/dbraw/zinc/59/91/10/386599110.db2.gz NZDIFYBNOWLVKH-OLZOCXBDSA-N 2 0 225.380 1.093 20 0 BDADRP CO[C@@H](C)CC[NH2+][C@H](C)CCCC[NH3+] ZINC000336644959 386602105 /nfs/dbraw/zinc/60/21/05/386602105.db2.gz BCXKEYVUBZQSTP-MNOVXSKESA-N 2 0 202.342 1.519 20 0 BDADRP CC1(C)CCC[C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C1 ZINC000335487473 386603547 /nfs/dbraw/zinc/60/35/47/386603547.db2.gz LQNDQKZSGDDPMG-STQMWFEESA-N 2 0 240.391 1.923 20 0 BDADRP C([NH2+][C@@H]1CCC12CCCC2)[C@H]1C[NH2+]CCCO1 ZINC000335488141 386604860 /nfs/dbraw/zinc/60/48/60/386604860.db2.gz NDZJFUXYKGSFSG-CHWSQXEVSA-N 2 0 238.375 1.677 20 0 BDADRP C([NH2+][C@H]1CCC12CCCC2)[C@@H]1C[NH2+]CCCO1 ZINC000335488144 386605093 /nfs/dbraw/zinc/60/50/93/386605093.db2.gz NDZJFUXYKGSFSG-STQMWFEESA-N 2 0 238.375 1.677 20 0 BDADRP CC1(C)CC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000335489431 386606874 /nfs/dbraw/zinc/60/68/74/386606874.db2.gz WIFZFTLKGOHFGO-QWRGUYRKSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000335492789 386611596 /nfs/dbraw/zinc/61/15/96/386611596.db2.gz BWMXRARJKNNZLW-IUCAKERBSA-N 2 0 233.315 1.212 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C[NH2+]C[C@@]2(C)CC[NH2+]C2)cc1 ZINC000414807730 386611672 /nfs/dbraw/zinc/61/16/72/386611672.db2.gz CZQVBRXSRRNOPY-DOMZBBRYSA-N 3 0 247.386 1.796 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@H]1CCO ZINC000415096378 386614648 /nfs/dbraw/zinc/61/46/48/386614648.db2.gz PQGKNQMXOTYLSA-NEPJUHHUSA-N 2 0 214.353 1.207 20 0 BDADRP C[C@H]1C[C@H](C[NH2+]CCCn2ccnc2)CC[NH2+]1 ZINC000415107195 386616037 /nfs/dbraw/zinc/61/60/37/386616037.db2.gz NMBKVQGTYCOIFX-QWHCGFSZSA-N 2 0 236.363 1.251 20 0 BDADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@@H]1CCC[NH2+]C1 ZINC000335494686 386616842 /nfs/dbraw/zinc/61/68/42/386616842.db2.gz INNQHMDFQIEMDN-LLVKDONJSA-N 2 0 245.326 1.228 20 0 BDADRP COC(=O)c1ccc(CN2CCC[C@@H]([NH3+])C2)cc1 ZINC000041027771 386659495 /nfs/dbraw/zinc/65/94/95/386659495.db2.gz IWXVAPAPPASCFC-CYBMUJFWSA-N 2 0 248.326 1.396 20 0 BDADRP COc1cccc(C[C@@H](C)[NH2+]CC[C@H](C)[NH3+])n1 ZINC000414819914 386660070 /nfs/dbraw/zinc/66/00/70/386660070.db2.gz IQNKRHDSRRAKFV-WDEREUQCSA-N 2 0 237.347 1.348 20 0 BDADRP CC[N@H+](CCN[C@H]1C[NH+](C)C[C@@H]1C)C(C)C ZINC000336759476 386665909 /nfs/dbraw/zinc/66/59/09/386665909.db2.gz JBEGMFRCCPDCFF-STQMWFEESA-N 2 0 227.396 1.256 20 0 BDADRP C[C@H]([NH3+])CC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000414823730 386679804 /nfs/dbraw/zinc/67/98/04/386679804.db2.gz PGDMUJFLTJBKAF-ZDUSSCGKSA-N 2 0 247.386 1.982 20 0 BDADRP CCOC(=O)C1CCC([NH2+]CC[C@H](C)[NH3+])CC1 ZINC000414818233 386657683 /nfs/dbraw/zinc/65/76/83/386657683.db2.gz DHMJJTYBKVTBJB-UNXYVOJBSA-N 2 0 242.363 1.435 20 0 BDADRP C[C@@H]([NH3+])CC[NH2+]Cc1cccc2c[nH]nc21 ZINC000414818213 386657898 /nfs/dbraw/zinc/65/78/98/386657898.db2.gz DFGDUHITMMUOPR-SECBINFHSA-N 2 0 218.304 1.390 20 0 BDADRP CCc1ncc(C[NH2+]CC[C@H]2CC[NH2+]C2)s1 ZINC000414831256 386711196 /nfs/dbraw/zinc/71/11/96/386711196.db2.gz MXQSTERXWGTWMA-SNVBAGLBSA-N 2 0 239.388 1.795 20 0 BDADRP C[C@H](C[NH3+])N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000414926988 386686708 /nfs/dbraw/zinc/68/67/08/386686708.db2.gz KODUQBAEAAICHC-NFAWXSAZSA-N 2 0 247.386 1.759 20 0 BDADRP C[C@@H]([NH3+])CC[NH2+]Cc1cccc2c1NCC2 ZINC000414825069 386687150 /nfs/dbraw/zinc/68/71/50/386687150.db2.gz RWLMUPIMIDFCNG-SNVBAGLBSA-N 2 0 219.332 1.482 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CCC[C@H]1c1cccs1 ZINC000357022164 386693345 /nfs/dbraw/zinc/69/33/45/386693345.db2.gz BDYDPROVVORJBG-NSHDSACASA-N 2 0 240.372 1.860 20 0 BDADRP COC[C@H](CC(C)C)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414827760 386695266 /nfs/dbraw/zinc/69/52/66/386695266.db2.gz HRLWLIHSRPJKQG-STQMWFEESA-N 2 0 228.380 1.637 20 0 BDADRP CC[NH+]1CCC(NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000414829170 386700228 /nfs/dbraw/zinc/70/02/28/386700228.db2.gz KHZODHWAIBTEKN-OAHLLOKOSA-N 2 0 247.386 1.760 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+]Cc1cnc2cc(C)ccn12 ZINC000414829995 386705907 /nfs/dbraw/zinc/70/59/07/386705907.db2.gz BTEZQNUIGSJDSR-LBPRGKRZSA-N 2 0 246.358 1.588 20 0 BDADRP C[NH2+]C[C@H](C)CNCc1cnn(C(C)C)c1 ZINC000414830298 386705966 /nfs/dbraw/zinc/70/59/66/386705966.db2.gz CAEPLWITSFTRLV-NSHDSACASA-N 2 0 224.352 1.409 20 0 BDADRP CC[C@H](COC)[NH2+][C@@H](CN)C1CCCCC1 ZINC000414830350 386706118 /nfs/dbraw/zinc/70/61/18/386706118.db2.gz AYFJCNCDVDTRLG-OLZOCXBDSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCc1cccnc1 ZINC000122338324 386740531 /nfs/dbraw/zinc/74/05/31/386740531.db2.gz WQGMZIPGEJQBKQ-DGCLKSJQSA-N 2 0 219.332 1.293 20 0 BDADRP CC[C@@H](COC)[NH2+]CC1([NH3+])CCCCC1 ZINC000414833819 386713214 /nfs/dbraw/zinc/71/32/14/386713214.db2.gz AYGRHXXMDTXMPF-NSHDSACASA-N 2 0 214.353 1.663 20 0 BDADRP C[C@@]1(CNC[C@H]2[NH2+]CCCC2(C)C)CC[NH2+]C1 ZINC000414928423 386713658 /nfs/dbraw/zinc/71/36/58/386713658.db2.gz NBSCGIJPNCBQEZ-TZMCWYRMSA-N 2 0 239.407 1.354 20 0 BDADRP CC[C@@H](C)C[NH2+]CCCN(C)CC[NH+](C)C ZINC000623088098 386725119 /nfs/dbraw/zinc/72/51/19/386725119.db2.gz WHXQAPMUOGNDCS-CYBMUJFWSA-N 2 0 229.412 1.506 20 0 BDADRP CC[C@@H](CO)[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC000191981431 386727514 /nfs/dbraw/zinc/72/75/14/386727514.db2.gz JYTVYWVLXUUJLZ-ZDUSSCGKSA-N 2 0 249.358 1.283 20 0 BDADRP Cc1n[nH]cc1C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335543114 386727585 /nfs/dbraw/zinc/72/75/85/386727585.db2.gz JJZWFOCITFNHKX-LLVKDONJSA-N 2 0 248.374 1.682 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+]C1CCC(OC)CC1 ZINC000414835366 386727994 /nfs/dbraw/zinc/72/79/94/386727994.db2.gz IKVFPVKIOUZMFF-VOMCLLRMSA-N 2 0 214.353 1.389 20 0 BDADRP C(C[C@H]1CCC[NH2+]C1)[NH2+]C1CCSCC1 ZINC000414836890 386730004 /nfs/dbraw/zinc/73/00/04/386730004.db2.gz JRQZZAHZAAHKGP-LLVKDONJSA-N 2 0 228.405 1.861 20 0 BDADRP CC[C@H]1CCCCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000125054992 386753110 /nfs/dbraw/zinc/75/31/10/386753110.db2.gz OTEGRVCBVIPQAY-AWEZNQCLSA-N 2 0 239.407 1.546 20 0 BDADRP CC[N@@H+]1CC[C@H](NC[C@@H](C)C[NH+](C)C)[C@@H](C)C1 ZINC000425940120 386753690 /nfs/dbraw/zinc/75/36/90/386753690.db2.gz VXJPTDPYBVOKSK-RDBSUJKOSA-N 2 0 241.423 1.504 20 0 BDADRP CC[C@@H]1C[C@@H](C[NH2+]C[C@H]2CCC[NH2+]2)CCO1 ZINC000414841327 386755085 /nfs/dbraw/zinc/75/50/85/386755085.db2.gz HTYMCSWZVSEQCP-YNEHKIRRSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H](CCn1cccn1)[NH2+][C@H]1CCN(C2CC2)C1 ZINC000353541358 386758954 /nfs/dbraw/zinc/75/89/54/386758954.db2.gz JNRHRMKDFAQYAU-STQMWFEESA-N 2 0 248.374 1.488 20 0 BDADRP C[NH+](C)CCc1ccc(NC(=O)C(C)(C)[NH3+])cc1 ZINC000269234318 386762743 /nfs/dbraw/zinc/76/27/43/386762743.db2.gz FXKSVYCXVGCNEC-UHFFFAOYSA-N 2 0 249.358 1.467 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CC1(N(C)C)CCC1 ZINC000336665368 386768326 /nfs/dbraw/zinc/76/83/26/386768326.db2.gz PKRIRAHPXHNQLE-GFCCVEGCSA-N 2 0 227.396 1.578 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCCCCO)CN1C1CC1 ZINC000192906943 386790800 /nfs/dbraw/zinc/79/08/00/386790800.db2.gz ZZJKICWLZVDBEZ-RYUDHWBXSA-N 2 0 226.364 1.364 20 0 BDADRP Cc1ccncc1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414844446 386773326 /nfs/dbraw/zinc/77/33/26/386773326.db2.gz RJWWNPBHEVEUGG-ZDUSSCGKSA-N 2 0 233.359 1.869 20 0 BDADRP C[C@H](C[NH2+][C@H]1CCOC[C@@H]1C)C[NH+]1CCCC1 ZINC000192485057 386774349 /nfs/dbraw/zinc/77/43/49/386774349.db2.gz OEQSFOGLELNCJZ-RDBSUJKOSA-N 2 0 240.391 1.733 20 0 BDADRP CC(C)[C@@](C)(C[NH3+])[NH2+]CCOCC(F)F ZINC000336666304 386777412 /nfs/dbraw/zinc/77/74/12/386777412.db2.gz LUGWBZIPSVJSNT-SNVBAGLBSA-N 2 0 224.295 1.231 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000417840797 386799521 /nfs/dbraw/zinc/79/95/21/386799521.db2.gz SKOUQSUKNFCPMH-YPMHNXCESA-N 2 0 241.379 1.138 20 0 BDADRP Cc1cnc(CNC[C@H](C)[N@H+](C)C2CC2)n1C ZINC000341038817 386826263 /nfs/dbraw/zinc/82/62/63/386826263.db2.gz CYKFPJLVZHUXTI-JTQLQIEISA-N 2 0 236.363 1.301 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCCS1 ZINC000336672662 386826855 /nfs/dbraw/zinc/82/68/55/386826855.db2.gz AQQLWPUMOSFTPM-GHMZBOCLSA-N 2 0 216.394 1.989 20 0 BDADRP C[NH2+]C[C@H](C)CNCc1ccc(C(=O)OC)o1 ZINC000414847222 386830719 /nfs/dbraw/zinc/83/07/19/386830719.db2.gz VQLZAYIKKLCWOV-VIFPVBQESA-N 2 0 240.303 1.011 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000398540969 386840365 /nfs/dbraw/zinc/84/03/65/386840365.db2.gz GWEITBAOOJHTQX-WOPDTQHZSA-N 2 0 214.353 1.397 20 0 BDADRP Cc1ccc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c(C)n1 ZINC000334785333 386845518 /nfs/dbraw/zinc/84/55/18/386845518.db2.gz ODFCHBGKCPPZHP-DGCLKSJQSA-N 2 0 233.359 1.868 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000331424915 386851668 /nfs/dbraw/zinc/85/16/68/386851668.db2.gz ICLFHIRCCBACRT-LOWDOPEQSA-N 2 0 226.364 1.397 20 0 BDADRP Cc1cnc(CN[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)n1C ZINC000341291111 386862584 /nfs/dbraw/zinc/86/25/84/386862584.db2.gz RJIDSNQERQMFBH-JQWIXIFHSA-N 2 0 248.374 1.443 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000341289177 386862715 /nfs/dbraw/zinc/86/27/15/386862715.db2.gz URNSNESAUAEKJL-RYUDHWBXSA-N 2 0 242.407 1.998 20 0 BDADRP CC1(C[NH2+][C@@H]2CCCSC2)CC[NH2+]CC1 ZINC000334861914 386915679 /nfs/dbraw/zinc/91/56/79/386915679.db2.gz FZAAPZJQDPIULC-LLVKDONJSA-N 2 0 228.405 1.861 20 0 BDADRP CC(C)C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000334862234 386916185 /nfs/dbraw/zinc/91/61/85/386916185.db2.gz JERLRIUEUUQRTF-ZIAGYGMSSA-N 2 0 240.391 1.861 20 0 BDADRP COC(=O)C(C)(C)CC[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414944177 386902592 /nfs/dbraw/zinc/90/25/92/386902592.db2.gz GFRZHMATOFLJEV-MNOVXSKESA-N 2 0 242.363 1.306 20 0 BDADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc2c[nH]nc21 ZINC000334856214 386908664 /nfs/dbraw/zinc/90/86/64/386908664.db2.gz HELSRTADXIKENJ-GWCFXTLKSA-N 2 0 244.342 1.651 20 0 BDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NCC(C)(C)[NH3+] ZINC000331867380 386919908 /nfs/dbraw/zinc/91/99/08/386919908.db2.gz AZEKNRXMKCLAMZ-VXGBXAGGSA-N 2 0 227.396 1.624 20 0 BDADRP Cc1cnc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)nc1 ZINC000358392793 386946795 /nfs/dbraw/zinc/94/67/95/386946795.db2.gz ZCLJHGQAJQIMSP-QWHCGFSZSA-N 2 0 248.374 1.400 20 0 BDADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]C2Cc3ccccc3C2)C1 ZINC000334865494 386921195 /nfs/dbraw/zinc/92/11/95/386921195.db2.gz USGDMLYXOCWNER-SMDDNHRTSA-N 2 0 230.355 1.871 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC000161710786 386928320 /nfs/dbraw/zinc/92/83/20/386928320.db2.gz WIRHZSCSJUMNCP-GHMZBOCLSA-N 2 0 205.305 1.251 20 0 BDADRP CC[C@H](O)C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000331956047 386929878 /nfs/dbraw/zinc/92/98/78/386929878.db2.gz JTRKXFCBQDCIAT-AXFHLTTASA-N 2 0 200.326 1.007 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000358358911 386941122 /nfs/dbraw/zinc/94/11/22/386941122.db2.gz ZINANCLIUBVYHF-OBJOEFQTSA-N 2 0 240.391 1.467 20 0 BDADRP C[NH+]1CCC(NCC2([NH3+])CCCCC2)CC1 ZINC000334819222 386948000 /nfs/dbraw/zinc/94/80/00/386948000.db2.gz SHIVEGHMKKOWIP-UHFFFAOYSA-N 2 0 225.380 1.332 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2C[C@@H]([NH3+])c3ccccc32)CC[NH2+]1 ZINC000332031300 386944769 /nfs/dbraw/zinc/94/47/69/386944769.db2.gz SVRHPMVBNZIHHW-FKGLVLAHSA-N 2 0 245.370 1.861 20 0 BDADRP CCC([NH3+])(CC)CN[C@H]1CCCCC[C@H]1[NH3+] ZINC000332063371 386954389 /nfs/dbraw/zinc/95/43/89/386954389.db2.gz ZKJVFSKEAYSSIQ-NEPJUHHUSA-N 2 0 227.396 1.754 20 0 BDADRP CCC([NH3+])(CC)CN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000332063374 386954429 /nfs/dbraw/zinc/95/44/29/386954429.db2.gz ZKJVFSKEAYSSIQ-RYUDHWBXSA-N 2 0 227.396 1.754 20 0 BDADRP CS[C@H]1CC[C@@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000425353844 386963145 /nfs/dbraw/zinc/96/31/45/386963145.db2.gz NJYSVHUZTDGBFC-RYUDHWBXSA-N 2 0 226.389 1.732 20 0 BDADRP C[C@]1(CN[C@@H]2CCCCC[C@@H]2[NH3+])CCC[NH2+]C1 ZINC000332286312 386968197 /nfs/dbraw/zinc/96/81/97/386968197.db2.gz GSYZKLZELDFGFW-MJBXVCDLSA-N 2 0 239.407 1.626 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000332345057 386971295 /nfs/dbraw/zinc/97/12/95/386971295.db2.gz OGLQDHUGMKQGRF-MCIONIFRSA-N 3 0 239.407 1.626 20 0 BDADRP Cc1cnccc1NC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000334821296 386949445 /nfs/dbraw/zinc/94/94/45/386949445.db2.gz MJWSECCXRXSZPX-GHMZBOCLSA-N 2 0 248.330 1.061 20 0 BDADRP CC(C)C[C@H](C[NH3+])N[C@H]1CCC[NH2+]CC1 ZINC000332054026 386950160 /nfs/dbraw/zinc/95/01/60/386950160.db2.gz WTGGYPUWXRBXPD-NWDGAFQWSA-N 2 0 213.369 1.092 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CN(C)C[C@@H]1C)C1CCOCC1 ZINC000358411476 386951321 /nfs/dbraw/zinc/95/13/21/386951321.db2.gz YVPOUCDDJFAFET-FPMFFAJLSA-N 2 0 240.391 1.731 20 0 BDADRP CCC[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000334979897 387066440 /nfs/dbraw/zinc/06/64/40/387066440.db2.gz KBDAIWWUZAUQRB-LLVKDONJSA-N 2 0 212.337 1.084 20 0 BDADRP Cc1c[nH+]ccc1N(C)C[C@@H]1CCC[N@@H+]1C ZINC000334969211 387052717 /nfs/dbraw/zinc/05/27/17/387052717.db2.gz QAAWOYHZDQAEOZ-LBPRGKRZSA-N 2 0 219.332 1.920 20 0 BDADRP C[C@]1(F)CNCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000334969263 387053040 /nfs/dbraw/zinc/05/30/40/387053040.db2.gz BKTKSJWRVHPOKO-STQMWFEESA-N 2 0 243.370 1.010 20 0 BDADRP CCC[C@H]1C[NH2+]CCN1C(=O)CCC(C)(C)[NH3+] ZINC000648108265 387054912 /nfs/dbraw/zinc/05/49/12/387054912.db2.gz VLXPGOGUOSYBBZ-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP CC[C@H](O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000369654302 387057377 /nfs/dbraw/zinc/05/73/77/387057377.db2.gz CPUYYNNVOGNHHE-RQJABVFESA-N 2 0 238.375 1.173 20 0 BDADRP CC[NH+](CC)[C@H]1CCN(C(=O)CC[C@H](C)[NH3+])C1 ZINC000070318087 387065536 /nfs/dbraw/zinc/06/55/36/387065536.db2.gz SVKIYURVVZBEKP-RYUDHWBXSA-N 2 0 241.379 1.057 20 0 BDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)CC[C@H](C)[NH3+])C1 ZINC000070318086 387065576 /nfs/dbraw/zinc/06/55/76/387065576.db2.gz SVKIYURVVZBEKP-NWDGAFQWSA-N 2 0 241.379 1.057 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC1([NH3+])CCC1 ZINC000333186115 387020503 /nfs/dbraw/zinc/02/05/03/387020503.db2.gz SYERAVZPNPMIKD-OLZOCXBDSA-N 3 0 239.407 1.768 20 0 BDADRP [NH3+]C[C@H](N[C@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000333186518 387020593 /nfs/dbraw/zinc/02/05/93/387020593.db2.gz TUAVASWSYYGYMS-KBPBESRZSA-N 3 0 239.407 1.626 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000519156652 387021029 /nfs/dbraw/zinc/02/10/29/387021029.db2.gz AUHZVDTVCKCQGM-LLVKDONJSA-N 3 0 221.348 1.362 20 0 BDADRP C[C@H](NCC1([NH3+])CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000333302555 387027346 /nfs/dbraw/zinc/02/73/46/387027346.db2.gz QGKBKHPRBRLQCV-QWHCGFSZSA-N 2 0 239.407 1.768 20 0 BDADRP C[C@H]1C[N@H+](CCC2CC[NH2+]CC2)[C@@H](C)CN1 ZINC000334983418 387069885 /nfs/dbraw/zinc/06/98/85/387069885.db2.gz KBMUCMSDUDWAEB-RYUDHWBXSA-N 2 0 225.380 1.058 20 0 BDADRP C[N@H+](CCc1ccncc1)C[C@@H]1CCC[NH+](C)C1 ZINC000118842513 387074922 /nfs/dbraw/zinc/07/49/22/387074922.db2.gz SFVXJDLONWYDER-OAHLLOKOSA-N 2 0 247.386 1.898 20 0 BDADRP CN(CC[N@H+](C)CCCn1ccnc1)C1CC1 ZINC000186742630 387130471 /nfs/dbraw/zinc/13/04/71/387130471.db2.gz YURJPXFEACHCOF-UHFFFAOYSA-N 2 0 236.363 1.299 20 0 BDADRP C[C@H](C[NH2+]C[C@H]1C[C@H]1C)C[NH+]1CCCC1 ZINC000336765720 387080877 /nfs/dbraw/zinc/08/08/77/387080877.db2.gz RKBDWUYFRGHQBB-JHJVBQTASA-N 2 0 210.365 1.964 20 0 BDADRP Cc1ccncc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228533726 387101640 /nfs/dbraw/zinc/10/16/40/387101640.db2.gz CKRMYMMEBZFVAF-NWANDNLSSA-N 2 0 245.370 1.949 20 0 BDADRP Cc1cccc2c1OC[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)C2 ZINC000335009155 387103920 /nfs/dbraw/zinc/10/39/20/387103920.db2.gz MCDTVTFVMXWTRS-FZMZJTMJSA-N 2 0 246.354 1.496 20 0 BDADRP COC[C@H]([NH2+]CC1C[NH2+]C1)C1CCCC1 ZINC000423300953 387131970 /nfs/dbraw/zinc/13/19/70/387131970.db2.gz GFYUFJSQGFFSHT-LBPRGKRZSA-N 2 0 212.337 1.001 20 0 BDADRP C[C@H]1CSC[C@@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000335025339 387116886 /nfs/dbraw/zinc/11/68/86/387116886.db2.gz IXVDUTKZQYAUST-XKGSQUFQSA-N 2 0 228.405 1.845 20 0 BDADRP CC(C)(C)[C@H]1C[C@@H]([NH2+]C2CC[NH2+]CC2)CCO1 ZINC000335026349 387118467 /nfs/dbraw/zinc/11/84/67/387118467.db2.gz MOGAUUDWDIIJAZ-QWHCGFSZSA-N 2 0 240.391 1.922 20 0 BDADRP CC(C)CC[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000070186261 387120306 /nfs/dbraw/zinc/12/03/06/387120306.db2.gz CDUNZTOFGIPBNV-UONOGXRCSA-N 2 0 242.407 1.857 20 0 BDADRP C([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)C1C[NH2+]C1 ZINC000423301002 387132175 /nfs/dbraw/zinc/13/21/75/387132175.db2.gz GNHLAMLTRSZOFU-YNEHKIRRSA-N 2 0 236.359 1.143 20 0 BDADRP CC(C)[N@H+](CCO)CCC[NH+]1CCCCC1 ZINC000188974093 387122832 /nfs/dbraw/zinc/12/28/32/387122832.db2.gz QIUWZHVBUSSFRV-UHFFFAOYSA-N 2 0 228.380 1.565 20 0 BDADRP COc1ccc(CC[C@@H](C)[NH2+]CC2C[NH2+]C2)cc1 ZINC000423307699 387142688 /nfs/dbraw/zinc/14/26/88/387142688.db2.gz WLJLHBQPFKJNEZ-GFCCVEGCSA-N 2 0 248.370 1.825 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000423307353 387142810 /nfs/dbraw/zinc/14/28/10/387142810.db2.gz MZIYNYPJMBIYIE-QMTHXVAHSA-N 2 0 234.343 1.954 20 0 BDADRP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@H](C)C[NH3+] ZINC000423307192 387144291 /nfs/dbraw/zinc/14/42/91/387144291.db2.gz MWGKRMUKJHAUCD-NWDGAFQWSA-N 2 0 224.352 1.092 20 0 BDADRP CC[C@H]([NH2+]CC1C[NH2+]C1)c1ccccc1 ZINC000423308746 387144535 /nfs/dbraw/zinc/14/45/35/387144535.db2.gz YFZMEAGBVSNKPH-ZDUSSCGKSA-N 2 0 204.317 1.947 20 0 BDADRP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@H](C)C[NH3+])C1(C)C ZINC000423311868 387148174 /nfs/dbraw/zinc/14/81/74/387148174.db2.gz UOBNRGRFGKRVSI-GRYCIOLGSA-N 2 0 228.380 1.763 20 0 BDADRP CC(C)O[C@H]1C[C@@H]([NH2+]C[C@H](C)C[NH3+])C1(C)C ZINC000423311870 387148654 /nfs/dbraw/zinc/14/86/54/387148654.db2.gz UOBNRGRFGKRVSI-UTUOFQBUSA-N 2 0 228.380 1.763 20 0 BDADRP CCC[NH2+]CC[NH2+][C@H]1CCC[C@@H]1COCC ZINC000423313481 387151174 /nfs/dbraw/zinc/15/11/74/387151174.db2.gz UJJSRZNQVHXYIF-OLZOCXBDSA-N 2 0 228.380 1.781 20 0 BDADRP CCC1(CC)[C@H]([NH2+]C[C@H]([NH3+])C2CC2)C[C@H]1OC ZINC000423314786 387153620 /nfs/dbraw/zinc/15/36/20/387153620.db2.gz HUYCKKRQQMZZMS-YNEHKIRRSA-N 2 0 240.391 1.907 20 0 BDADRP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH3+])cc1 ZINC000423314371 387155084 /nfs/dbraw/zinc/15/50/84/387155084.db2.gz YKBGVGUHMKRDSN-MNOVXSKESA-N 2 0 249.358 1.890 20 0 BDADRP CC1(C)[C@H]([NH2+]CC2([NH3+])CCC2)[C@H]2CCCO[C@H]21 ZINC000423315948 387157637 /nfs/dbraw/zinc/15/76/37/387157637.db2.gz BHSHXVRINXLDOX-IJLUTSLNSA-N 2 0 238.375 1.661 20 0 BDADRP CC[C@@H]([NH2+]CCCC[NH3+])C1(C(=O)OC)CCC1 ZINC000423317643 387159156 /nfs/dbraw/zinc/15/91/56/387159156.db2.gz CSZOFOODWHXRAN-LLVKDONJSA-N 2 0 242.363 1.437 20 0 BDADRP [NH3+][C@H](C[NH2+][C@@H]1CC[C@H]1C1CCC1)C1CC1 ZINC000423324482 387167776 /nfs/dbraw/zinc/16/77/76/387167776.db2.gz PMZAEJRCNURQHK-YNEHKIRRSA-N 2 0 208.349 1.892 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@]1(C)CCC[NH2+]C1 ZINC000423328228 387170894 /nfs/dbraw/zinc/17/08/94/387170894.db2.gz LWIRIVHSQZSCNR-MGPQQGTHSA-N 2 0 239.407 1.306 20 0 BDADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]CCCC[NH3+] ZINC000423329980 387172349 /nfs/dbraw/zinc/17/23/49/387172349.db2.gz PGBCMQVIOVNKSF-RYUDHWBXSA-N 2 0 214.353 1.520 20 0 BDADRP CO[C@H]1C[C@@H]([NH2+]CCC[NH2+]C(C)C)C12CCC2 ZINC000571789130 387172400 /nfs/dbraw/zinc/17/24/00/387172400.db2.gz MXWVSLSONAFXRM-OLZOCXBDSA-N 2 0 240.391 1.922 20 0 BDADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]CC1([NH3+])CCC1 ZINC000423328727 387172681 /nfs/dbraw/zinc/17/26/81/387172681.db2.gz OFMASFUUWGAYHQ-RYUDHWBXSA-N 2 0 226.364 1.663 20 0 BDADRP CCOC[C@@H]1CCC[C@H]1[NH2+]CCCC[NH3+] ZINC000423329979 387173868 /nfs/dbraw/zinc/17/38/68/387173868.db2.gz PGBCMQVIOVNKSF-NWDGAFQWSA-N 2 0 214.353 1.520 20 0 BDADRP CCOC[C@H]1CCC[C@H]1[NH2+]CC1([NH3+])CCC1 ZINC000423328729 387174242 /nfs/dbraw/zinc/17/42/42/387174242.db2.gz OFMASFUUWGAYHQ-VXGBXAGGSA-N 2 0 226.364 1.663 20 0 BDADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccnn1C ZINC000423330808 387174789 /nfs/dbraw/zinc/17/47/89/387174789.db2.gz NVKYIZDIGCMFRJ-NSHDSACASA-N 2 0 236.363 1.460 20 0 BDADRP Cc1ncncc1[C@@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000571819723 387177528 /nfs/dbraw/zinc/17/75/28/387177528.db2.gz INLPEMMZFZMTSE-LLVKDONJSA-N 2 0 246.358 1.698 20 0 BDADRP CCSCC[N@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000571817846 387177982 /nfs/dbraw/zinc/17/79/82/387177982.db2.gz MUUPJHGVWLEESO-NWDGAFQWSA-N 2 0 228.405 1.908 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]([NH3+])C2CC2)C12CCC2 ZINC000423333081 387179372 /nfs/dbraw/zinc/17/93/72/387179372.db2.gz VJMKPCFTHSFYCA-RWMBFGLXSA-N 2 0 238.375 1.661 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)O1 ZINC000229594256 387184121 /nfs/dbraw/zinc/18/41/21/387184121.db2.gz WABYMKJPPKYLSU-UMSGYPCISA-N 2 0 226.364 1.484 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+]CC2([NH3+])CCC2)C12CCC2 ZINC000423338127 387184983 /nfs/dbraw/zinc/18/49/83/387184983.db2.gz VRIWAHKEXHUWLG-RYUDHWBXSA-N 2 0 238.375 1.805 20 0 BDADRP C[C@@H](NC[C@@]1(C)CCC[NH2+]C1)[C@@H]1CCCC[NH2+]1 ZINC000423337579 387185043 /nfs/dbraw/zinc/18/50/43/387185043.db2.gz KHVPWBOROJCQDE-RDBSUJKOSA-N 2 0 239.407 1.496 20 0 BDADRP C[C@H]([NH2+]CCCC[NH3+])C1CCSCC1 ZINC000423337450 387185426 /nfs/dbraw/zinc/18/54/26/387185426.db2.gz VPIOGFDBCFRWNY-JTQLQIEISA-N 2 0 216.394 1.847 20 0 BDADRP CC(C)[C@H](CCO)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000229622691 387186313 /nfs/dbraw/zinc/18/63/13/387186313.db2.gz SZRBZBOEGVXBAI-MJBXVCDLSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@H](NC[C@@]1(C)CCC[NH2+]C1)[C@H]1CCCC[NH2+]1 ZINC000423337577 387186429 /nfs/dbraw/zinc/18/64/29/387186429.db2.gz KHVPWBOROJCQDE-MJBXVCDLSA-N 2 0 239.407 1.496 20 0 BDADRP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423338333 387187452 /nfs/dbraw/zinc/18/74/52/387187452.db2.gz YUUFLJSGGQIOAO-STQMWFEESA-N 2 0 236.363 1.235 20 0 BDADRP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423338332 387188160 /nfs/dbraw/zinc/18/81/60/387188160.db2.gz YUUFLJSGGQIOAO-QWHCGFSZSA-N 2 0 236.363 1.235 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]CC2=CC[NH2+]CC2)C1(C)C ZINC000423341234 387189698 /nfs/dbraw/zinc/18/96/98/387189698.db2.gz KDJFGPFITWYYRF-CHWSQXEVSA-N 2 0 238.375 1.699 20 0 BDADRP C[N@@H+]1CC[C@H](NCC2([NH3+])CCC2)[C@@H]2CCC[C@@H]21 ZINC000423341198 387189749 /nfs/dbraw/zinc/18/97/49/387189749.db2.gz XUHMNGRVKFSCSH-AVGNSLFASA-N 2 0 237.391 1.330 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2=CC[NH2+]CC2)CN1C1CC1 ZINC000423340359 387190337 /nfs/dbraw/zinc/19/03/37/387190337.db2.gz JKPMXQNTVQOMRV-YPMHNXCESA-N 2 0 235.375 1.121 20 0 BDADRP COC[C@H](C)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000120558408 387190950 /nfs/dbraw/zinc/19/09/50/387190950.db2.gz RIHRZFMKVFOOIS-CHWSQXEVSA-N 2 0 228.380 1.543 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000370673765 387133866 /nfs/dbraw/zinc/13/38/66/387133866.db2.gz PORXELYCRYPVLA-AWEZNQCLSA-N 2 0 240.391 1.565 20 0 BDADRP CCCCO[C@H]1C[C@H]([NH2+]CC2C[NH2+]C2)C1(C)C ZINC000423303922 387136228 /nfs/dbraw/zinc/13/62/28/387136228.db2.gz NEDGFUZMOKWCRU-STQMWFEESA-N 2 0 240.391 1.779 20 0 BDADRP CCCCO[C@H]1C[C@@H]([NH2+]CC2C[NH2+]C2)C1(C)C ZINC000423303920 387136281 /nfs/dbraw/zinc/13/62/81/387136281.db2.gz NEDGFUZMOKWCRU-OLZOCXBDSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000423303990 387137212 /nfs/dbraw/zinc/13/72/12/387137212.db2.gz XXOXUGNWNFFJJH-NOZJJQNGSA-N 2 0 222.307 1.997 20 0 BDADRP C([NH2+][C@@H]1CCC[C@H](C2CC2)C1)C1C[NH2+]C1 ZINC000423303495 387137697 /nfs/dbraw/zinc/13/76/97/387137697.db2.gz LSQZQMKOAYXOEK-QWHCGFSZSA-N 2 0 208.349 1.764 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000336312086 387139728 /nfs/dbraw/zinc/13/97/28/387139728.db2.gz AEAHWMFGYUHQQB-RYUDHWBXSA-N 3 0 225.380 1.045 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300408938 387205890 /nfs/dbraw/zinc/20/58/90/387205890.db2.gz SXASEJPJSIIXQQ-RDBSUJKOSA-N 2 0 240.391 1.754 20 0 BDADRP CC[N@@H+]1C[C@@H](C)[C@@H](NCC[C@H]2CCC[NH2+]2)C1 ZINC000423356311 387208338 /nfs/dbraw/zinc/20/83/38/387208338.db2.gz GMTFSATUTVKATG-UPJWGTAASA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)[C@H]1CCCOC1 ZINC000423356845 387208506 /nfs/dbraw/zinc/20/85/06/387208506.db2.gz HHAHSCUENOMZDC-FRRDWIJNSA-N 2 0 226.364 1.533 20 0 BDADRP CC(C)[C@H](Cn1cccn1)[NH2+]CC1=CC[NH2+]CC1 ZINC000423358411 387209739 /nfs/dbraw/zinc/20/97/39/387209739.db2.gz UCRLXNKJBIAUEW-AWEZNQCLSA-N 2 0 248.374 1.417 20 0 BDADRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)[C@@H]1CC1(C)C ZINC000423358376 387209759 /nfs/dbraw/zinc/20/97/59/387209759.db2.gz TZSHBBFZFBJYCA-JQWIXIFHSA-N 2 0 208.349 1.930 20 0 BDADRP CCOC[C@H]1CCC[C@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423361121 387212465 /nfs/dbraw/zinc/21/24/65/387212465.db2.gz LXWDRBGYYOLSAM-MGPQQGTHSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H](NCC[C@H]1CCC[NH2+]1)[C@@H]1CCCC[NH2+]1 ZINC000423361199 387212973 /nfs/dbraw/zinc/21/29/73/387212973.db2.gz RGKYPJQRTJYUER-XQQFMLRXSA-N 2 0 225.380 1.249 20 0 BDADRP COC[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000423368508 387221513 /nfs/dbraw/zinc/22/15/13/387221513.db2.gz RYRNJFOHLDFXDM-ZIAGYGMSSA-N 2 0 240.391 1.923 20 0 BDADRP Cc1ccccc1C[NH2+]CCOCC[NH+](C)C ZINC000230004508 387224113 /nfs/dbraw/zinc/22/41/13/387224113.db2.gz COOHCHHBONNBNN-UHFFFAOYSA-N 2 0 236.359 1.663 20 0 BDADRP CC[NH2+][C@H](C)CN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423371636 387225952 /nfs/dbraw/zinc/22/59/52/387225952.db2.gz AOBWBBJRFREAIK-WOPDTQHZSA-N 2 0 213.369 1.105 20 0 BDADRP Cc1ccsc1C[NH2+]CCOCC[NH+](C)C ZINC000230005114 387227340 /nfs/dbraw/zinc/22/73/40/387227340.db2.gz FFNNWAGWPYJJKE-UHFFFAOYSA-N 2 0 242.388 1.724 20 0 BDADRP CC[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)OC ZINC000353554859 387227405 /nfs/dbraw/zinc/22/74/05/387227405.db2.gz APYQYAXNBGEDPW-XJFOESAGSA-N 2 0 240.391 1.874 20 0 BDADRP CC[NH2+][C@H](C)CN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000423373394 387229764 /nfs/dbraw/zinc/22/97/64/387229764.db2.gz BSVXONJRXQSNLA-IJLUTSLNSA-N 2 0 213.369 1.234 20 0 BDADRP COc1ccc(C[C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cn1 ZINC000423326791 387230958 /nfs/dbraw/zinc/23/09/58/387230958.db2.gz RDISKKHSOAMPTI-GXFFZTMASA-N 2 0 249.358 1.348 20 0 BDADRP C[NH2+][C@H](C)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000423397618 387233140 /nfs/dbraw/zinc/23/31/40/387233140.db2.gz SRLZUOFRNJPFRM-YVECIDJPSA-N 2 0 238.375 1.532 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@H]1CC[NH2+]C[C@H]1C ZINC000423400848 387235248 /nfs/dbraw/zinc/23/52/48/387235248.db2.gz QKXDZTYNQIFCDV-MHDGFBEUSA-N 2 0 237.391 1.057 20 0 BDADRP CO[C@H]1CCC[C@H]([NH2+]CC2CC[NH2+]CC2)C1 ZINC000643497332 387239948 /nfs/dbraw/zinc/23/99/48/387239948.db2.gz HWNHAUQOPVMWAN-STQMWFEESA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H](O)CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353610550 387241505 /nfs/dbraw/zinc/24/15/05/387241505.db2.gz WRTGAISBWUGYTQ-REWJHTLYSA-N 2 0 240.391 1.610 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@@H]1O)C1CCCCC1 ZINC000423412100 387245550 /nfs/dbraw/zinc/24/55/50/387245550.db2.gz WCVHXMVNVNZEME-IHRRRGAJSA-N 2 0 240.391 1.515 20 0 BDADRP COCC1CCC([NH2+][C@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000423408591 387246931 /nfs/dbraw/zinc/24/69/31/387246931.db2.gz XRZDOISRDYAFDB-RYSNWHEDSA-N 2 0 240.391 1.779 20 0 BDADRP COC[C@]1(C[NH2+]C2CC(C(C)C)C2)CCC[NH2+]1 ZINC000423416523 387248402 /nfs/dbraw/zinc/24/84/02/387248402.db2.gz QVXYVQZAMLGVTD-JXQTWKCFSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)[C@H]1CCCO1 ZINC000423429297 387253984 /nfs/dbraw/zinc/25/39/84/387253984.db2.gz SIHADAMQLYVWKR-AAVRWANBSA-N 2 0 240.391 1.909 20 0 BDADRP CC[C@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)[C@@H]1C[C@H]1C ZINC000423415825 387249391 /nfs/dbraw/zinc/24/93/91/387249391.db2.gz PMPUPTOYFXXADI-MQYQWHSLSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cn[nH]c1 ZINC000285192422 387250759 /nfs/dbraw/zinc/25/07/59/387250759.db2.gz NRVOWZMMKKORGN-SNVBAGLBSA-N 2 0 220.320 1.322 20 0 BDADRP Cc1cncc([C@H](C)[NH2+]CC2=CC[NH2+]CC2)c1 ZINC000423345214 387195621 /nfs/dbraw/zinc/19/56/21/387195621.db2.gz NTOXKDMMOOBWPB-LBPRGKRZSA-N 2 0 231.343 1.960 20 0 BDADRP CC(C)OCCC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000571921501 387196954 /nfs/dbraw/zinc/19/69/54/387196954.db2.gz WJVLWBQZVLBNTK-CQSZACIVSA-N 2 0 240.391 1.877 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000423463315 387310444 /nfs/dbraw/zinc/31/04/44/387310444.db2.gz FOMJYNDSWSSLNB-CYDGBPFRSA-N 3 0 225.380 1.221 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@@H]1C ZINC000423464441 387312068 /nfs/dbraw/zinc/31/20/68/387312068.db2.gz LZUFGLWQBXLJDE-FIQHERPVSA-N 2 0 242.363 1.291 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423474313 387319249 /nfs/dbraw/zinc/31/92/49/387319249.db2.gz HDMQXKOTQLYMMH-CHWSQXEVSA-N 3 0 227.396 1.626 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@H]1CCC[C@@H]1CCOC ZINC000423470446 387317286 /nfs/dbraw/zinc/31/72/86/387317286.db2.gz PJGPWKLGZYDJGP-WOPDTQHZSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@H](Cc1ccoc1)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000423385381 387267328 /nfs/dbraw/zinc/26/73/28/387267328.db2.gz QWGOVWQWFPHOHE-NQBHXWOUSA-N 2 0 222.332 1.941 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CN1C1CC1 ZINC000423385050 387267874 /nfs/dbraw/zinc/26/78/74/387267874.db2.gz LKKFGXNNRWZSMM-LPWJVIDDSA-N 2 0 237.391 1.471 20 0 BDADRP Cc1cc(N)cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c1 ZINC000423469333 387317613 /nfs/dbraw/zinc/31/76/13/387317613.db2.gz CAASAQXUGICNHD-QWRGUYRKSA-N 2 0 221.348 1.793 20 0 BDADRP C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)[C@H]1CCCO1 ZINC000423391158 387276559 /nfs/dbraw/zinc/27/65/59/387276559.db2.gz PKSPOKCJBYXZNT-XHDPSFHLSA-N 2 0 246.354 1.947 20 0 BDADRP C[NH2+]CCC[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000643498515 387277477 /nfs/dbraw/zinc/27/74/77/387277477.db2.gz OOFWDNXELQFKDK-QWRGUYRKSA-N 2 0 200.326 1.143 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423393062 387278640 /nfs/dbraw/zinc/27/86/40/387278640.db2.gz QIYJTJHGGFCVRM-GHMZBOCLSA-N 3 0 233.359 1.505 20 0 BDADRP C[C@H]1COCC[C@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423430341 387282036 /nfs/dbraw/zinc/28/20/36/387282036.db2.gz UDNJFZQVDDNGEV-XDQVBPFNSA-N 2 0 240.391 1.766 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+][C@H]1CCC[C@@H]1CCOC ZINC000423395395 387282494 /nfs/dbraw/zinc/28/24/94/387282494.db2.gz SMGUWFLZVZJPCV-UPJWGTAASA-N 2 0 228.380 1.779 20 0 BDADRP CC[C@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)C1CC1 ZINC000423432132 387283941 /nfs/dbraw/zinc/28/39/41/387283941.db2.gz QRQZOKPHESTWGB-STQMWFEESA-N 2 0 226.364 1.533 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]C[C@H](CO)C2CC2)CC1 ZINC000353846437 387285726 /nfs/dbraw/zinc/28/57/26/387285726.db2.gz BDCQNONCLHXNRS-CYBMUJFWSA-N 2 0 240.391 1.467 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])C12CCC2 ZINC000423440325 387289786 /nfs/dbraw/zinc/28/97/86/387289786.db2.gz IOFJPTPXTOQYQS-FIQHERPVSA-N 2 0 226.364 1.659 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+][C@H](CCO)c2ccccc2)C1 ZINC000514799065 387293989 /nfs/dbraw/zinc/29/39/89/387293989.db2.gz SQWYXVUCEQXAFL-SOUVJXGZSA-N 2 0 248.370 1.970 20 0 BDADRP C[C@H](C[C@@H]1CCOC1)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000643461973 387296054 /nfs/dbraw/zinc/29/60/54/387296054.db2.gz IICODKLRDQKENP-FVCCEPFGSA-N 2 0 226.364 1.532 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423448627 387297332 /nfs/dbraw/zinc/29/73/32/387297332.db2.gz VGCFYQRMFCEONO-VCDKRKBESA-N 2 0 226.364 1.388 20 0 BDADRP C[N@H+](Cc1cccc(N)c1)C1CC[NH2+]CC1 ZINC000336469735 387298452 /nfs/dbraw/zinc/29/84/52/387298452.db2.gz LHLSIMBKCHZLNW-UHFFFAOYSA-N 2 0 219.332 1.453 20 0 BDADRP CC[C@H]([NH3+])CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000423458356 387305770 /nfs/dbraw/zinc/30/57/70/387305770.db2.gz GSNUNOHRVSAPDS-WUHRBBMRSA-N 2 0 225.380 1.186 20 0 BDADRP COC[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])C1CCCC1 ZINC000423457863 387307077 /nfs/dbraw/zinc/30/70/77/387307077.db2.gz GFXCFJLBFYJXLZ-NHCYSSNCSA-N 2 0 214.353 1.517 20 0 BDADRP CC(C)C[C@H]([NH3+])c1noc([C@@H](C)C[NH3+])n1 ZINC000572284871 387307349 /nfs/dbraw/zinc/30/73/49/387307349.db2.gz IJIZOBGYVNMZGU-YUMQZZPRSA-N 2 0 212.297 1.178 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCCOC1 ZINC000423459930 387308164 /nfs/dbraw/zinc/30/81/64/387308164.db2.gz AKEVFVBAEXQFRV-RFQIPJPRSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCCC[NH2+]1 ZINC000423459913 387308768 /nfs/dbraw/zinc/30/87/68/387308768.db2.gz AHSYPFYPJULYFM-REWJHTLYSA-N 3 0 239.407 1.624 20 0 BDADRP CC[C@H]([NH2+]CCC[NH2+]C1CC1)[C@@H]1CCOC1 ZINC000423528006 387356541 /nfs/dbraw/zinc/35/65/41/387356541.db2.gz NHFYFNZTDGJXCB-YPMHNXCESA-N 2 0 226.364 1.533 20 0 BDADRP COC[C@@H]([NH2+]CCC1=CC[NH2+]CC1)C1CC1 ZINC000423535378 387360691 /nfs/dbraw/zinc/36/06/91/387360691.db2.gz CVUOVVXVQPMLHE-CYBMUJFWSA-N 2 0 224.348 1.311 20 0 BDADRP CC[C@@H]1CCC[N@H+](C[C@@](C)(O)C[NH2+]C)CC1 ZINC000515305617 387361552 /nfs/dbraw/zinc/36/15/52/387361552.db2.gz CEBUMBFIBUJULP-OLZOCXBDSA-N 2 0 228.380 1.469 20 0 BDADRP CC[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1cnn(C)c1 ZINC000423536057 387361881 /nfs/dbraw/zinc/36/18/81/387361881.db2.gz GILGHERFIJALHZ-CQSZACIVSA-N 2 0 248.374 1.771 20 0 BDADRP COC[C@@H]([NH2+]CCC1=CC[NH2+]CC1)C(C)C ZINC000423535908 387362235 /nfs/dbraw/zinc/36/22/35/387362235.db2.gz FYASFPCZCNLWAU-CYBMUJFWSA-N 2 0 226.364 1.557 20 0 BDADRP [NH3+][C@@H]1C[C@@H](NC[C@H]2CCCC[NH2+]2)c2ccccc21 ZINC000643502265 387363949 /nfs/dbraw/zinc/36/39/49/387363949.db2.gz BFFPKPRQTHQIIV-KCPJHIHWSA-N 2 0 245.370 1.863 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1NC[C@H]1CCCC[NH2+]1 ZINC000643502385 387365409 /nfs/dbraw/zinc/36/54/09/387365409.db2.gz FDTIHUGDCFGQRK-JHJVBQTASA-N 2 0 225.380 1.378 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423540546 387366600 /nfs/dbraw/zinc/36/66/00/387366600.db2.gz QRKNRBXFDSRYEX-KGLIPLIRSA-N 3 0 237.391 1.403 20 0 BDADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)[C@H]1C[C@H]1C ZINC000423541514 387366647 /nfs/dbraw/zinc/36/66/47/387366647.db2.gz SBFBCUIHTXNQSM-WZRBSPASSA-N 2 0 208.349 1.930 20 0 BDADRP COCCC[C@@H](C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423543495 387367628 /nfs/dbraw/zinc/36/76/28/387367628.db2.gz BZBLBJZOQJBDMK-NEPJUHHUSA-N 2 0 214.353 1.533 20 0 BDADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)[C@H]1CCCC[NH2+]1 ZINC000423545676 387369611 /nfs/dbraw/zinc/36/96/11/387369611.db2.gz YHEVFNWONYCMSS-TZMCWYRMSA-N 3 0 237.391 1.416 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H]1CCC[NH2+]1 ZINC000423545691 387370119 /nfs/dbraw/zinc/37/01/19/387370119.db2.gz JWOHOCNZLLZDIM-RYMFRWLXSA-N 3 0 237.391 1.105 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCC2=CC[NH2+]CC2)[C@H]1C ZINC000423546107 387370171 /nfs/dbraw/zinc/37/01/71/387370171.db2.gz YQLPXSCOZGITFH-NTZNESFSSA-N 2 0 208.349 1.930 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423553595 387371919 /nfs/dbraw/zinc/37/19/19/387371919.db2.gz KMSOSAYYCHGSBP-RYUDHWBXSA-N 3 0 213.369 1.236 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423553594 387373179 /nfs/dbraw/zinc/37/31/79/387373179.db2.gz KMSOSAYYCHGSBP-NWDGAFQWSA-N 3 0 213.369 1.236 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2CCCC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000423553661 387373826 /nfs/dbraw/zinc/37/38/26/387373826.db2.gz KQNYHZJUQCXYLN-AGIUHOORSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CCC[NH2+]C1CC1 ZINC000423561836 387378051 /nfs/dbraw/zinc/37/80/51/387378051.db2.gz QFHFMLCOHIZJON-NSHDSACASA-N 3 0 213.369 1.236 20 0 BDADRP C[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@H]1CCOC1 ZINC000336554752 387378693 /nfs/dbraw/zinc/37/86/93/387378693.db2.gz BJDRSPMXRBPURG-NEPJUHHUSA-N 2 0 212.337 1.049 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1NCCC[NH2+]C1CC1 ZINC000423573753 387380066 /nfs/dbraw/zinc/38/00/66/387380066.db2.gz ZLUIRENGTRIXIJ-DGCLKSJQSA-N 2 0 225.380 1.236 20 0 BDADRP COCC1CCC([NH2+][C@@H]2CCCC[NH2+]C2)CC1 ZINC000423571525 387380677 /nfs/dbraw/zinc/38/06/77/387380677.db2.gz XRBAUXKVPUZGFG-JXQTWKCFSA-N 2 0 240.391 1.923 20 0 BDADRP C[N@H+](C[C@H]1CCC[NH2+]C1)C1CCOCC1 ZINC000036321639 387382238 /nfs/dbraw/zinc/38/22/38/387382238.db2.gz RIZFBKGQQVYJDA-NSHDSACASA-N 2 0 212.337 1.097 20 0 BDADRP CC(C)([NH3+])CN1CCC(n2ccnc2)CC1 ZINC000336495828 387320393 /nfs/dbraw/zinc/32/03/93/387320393.db2.gz BMMPOPZNNSTURX-UHFFFAOYSA-N 2 0 222.336 1.257 20 0 BDADRP C[C@H](N[C@H]1CC[N@H+](CC2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000643462906 387320585 /nfs/dbraw/zinc/32/05/85/387320585.db2.gz YFGKGOTXMRPPDA-FPMFFAJLSA-N 2 0 237.391 1.201 20 0 BDADRP CC[NH2+][C@H](C)CNC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423590104 387382418 /nfs/dbraw/zinc/38/24/18/387382418.db2.gz DJWFEXLTLYWOEN-MNOVXSKESA-N 2 0 249.358 1.434 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000423475183 387322123 /nfs/dbraw/zinc/32/21/23/387322123.db2.gz RSMAMGGZIVFPCY-WUHRBBMRSA-N 2 0 238.375 1.661 20 0 BDADRP C[C@H](N[C@@H]1C[NH2+]CCC1(F)F)[C@H]1CCCC[NH2+]1 ZINC000423474861 387322453 /nfs/dbraw/zinc/32/24/53/387322453.db2.gz HTRDWWIACRSSGL-HBNTYKKESA-N 2 0 247.333 1.104 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](Cc2cccc3c2NCC3)C1 ZINC000336497888 387322858 /nfs/dbraw/zinc/32/28/58/387322858.db2.gz FURNHEFLBJTYJL-NSHDSACASA-N 2 0 231.343 1.435 20 0 BDADRP C[NH+](C)[C@H]1CCC[N@H+](CCCCO)CC1 ZINC000372951901 387335446 /nfs/dbraw/zinc/33/54/46/387335446.db2.gz GFMBHRIZQPNUJS-LBPRGKRZSA-N 2 0 214.353 1.175 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000423490619 387337056 /nfs/dbraw/zinc/33/70/56/387337056.db2.gz IHPYPGRVHANSAZ-RGDJUOJXSA-N 3 0 239.407 1.432 20 0 BDADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000423495399 387337790 /nfs/dbraw/zinc/33/77/90/387337790.db2.gz FBQSFUPUOPQZPF-VOAKCMCISA-N 3 0 225.380 1.221 20 0 BDADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423497152 387340426 /nfs/dbraw/zinc/34/04/26/387340426.db2.gz YGTGGMNMMACENI-UPJWGTAASA-N 2 0 240.391 1.779 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccncc1F ZINC000423500178 387340448 /nfs/dbraw/zinc/34/04/48/387340448.db2.gz IHGZHRYHYHYMRX-GARJFASQSA-N 2 0 237.322 1.999 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)C1(C)CC1 ZINC000423521512 387353490 /nfs/dbraw/zinc/35/34/90/387353490.db2.gz QXEBFBVRBPCGOG-MNOVXSKESA-N 2 0 212.337 1.143 20 0 BDADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H](C)C[NH3+])c1 ZINC000423786487 387424225 /nfs/dbraw/zinc/42/42/25/387424225.db2.gz QDYDFVZROSOBCI-NSHDSACASA-N 2 0 249.358 1.590 20 0 BDADRP C[N@H+](CCC[NH+]1CCCCC1)[C@@H]1CCC[C@H]1O ZINC000352665062 387427445 /nfs/dbraw/zinc/42/74/45/387427445.db2.gz DEVKFXBFFCBGPE-ZIAGYGMSSA-N 2 0 240.391 1.708 20 0 BDADRP C[C@@H]1C[N@H+](CC2(F)CC2)C[C@@]1(C)C[NH3+] ZINC000516016570 387447062 /nfs/dbraw/zinc/44/70/62/387447062.db2.gz LYJTZJHGBBCEHK-NXEZZACHSA-N 2 0 200.301 1.405 20 0 BDADRP C[NH2+][C@H](C)CNC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000423626904 387390213 /nfs/dbraw/zinc/39/02/13/387390213.db2.gz HONLVGUDLPMVHM-PWSUYJOCSA-N 2 0 241.379 1.008 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCCCCO)C1 ZINC000304294970 387460083 /nfs/dbraw/zinc/46/00/83/387460083.db2.gz FGBBVTLWOPLWNN-ZDUSSCGKSA-N 2 0 228.380 1.423 20 0 BDADRP CO[C@H]1CCC[C@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC000643475331 387508098 /nfs/dbraw/zinc/50/80/98/387508098.db2.gz GYDFGGUQEKTDFE-RYUDHWBXSA-N 2 0 212.337 1.286 20 0 BDADRP C(CN1CCO[C@H](C2CC2)C1)C[NH+]1CCCC1 ZINC000375334779 387529108 /nfs/dbraw/zinc/52/91/08/387529108.db2.gz YDYKQLMEKROMRB-AWEZNQCLSA-N 2 0 238.375 1.583 20 0 BDADRP C[C@@]1(CNC(N)=[NH2+])CC[N@H+](Cc2ccccc2)C1 ZINC000307642153 387530415 /nfs/dbraw/zinc/53/04/15/387530415.db2.gz LBQHDHFSZWFOQZ-AWEZNQCLSA-N 2 0 246.358 1.382 20 0 BDADRP C[N@H+](CCCc1ccccc1)CCOCC[NH3+] ZINC000310075552 387534651 /nfs/dbraw/zinc/53/46/51/387534651.db2.gz SRBTUSODLFHVRT-UHFFFAOYSA-N 2 0 236.359 1.526 20 0 BDADRP C[NH2+]CCCN(C)C(=O)[C@H]([NH3+])c1ccccc1C ZINC000424022762 387468356 /nfs/dbraw/zinc/46/83/56/387468356.db2.gz UQCCTQMSFKXISB-CYBMUJFWSA-N 2 0 249.358 1.063 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000643470986 387477175 /nfs/dbraw/zinc/47/71/75/387477175.db2.gz DIRPBVWDSLQMJO-YIYPIFLZSA-N 2 0 240.391 1.645 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2CCC[NH2+][C@H]2C)[C@@H](C)O1 ZINC000396708291 387482307 /nfs/dbraw/zinc/48/23/07/387482307.db2.gz OHPGQPVGAYPZDV-ROHXPCBUSA-N 2 0 212.337 1.282 20 0 BDADRP CO[C@H]1CCN(CCCCCF)[C@@H](C[NH3+])C1 ZINC000304460024 387483150 /nfs/dbraw/zinc/48/31/50/387483150.db2.gz ZUABBUWVQTZWOS-NEPJUHHUSA-N 2 0 232.343 1.564 20 0 BDADRP CC(C)[NH2+]CCC[NH2+][C@H](C)CCCCO ZINC000643508291 387489290 /nfs/dbraw/zinc/48/92/90/387489290.db2.gz FDFVQHOUNTWHIU-GFCCVEGCSA-N 2 0 216.369 1.515 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](CC2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000422560694 387602592 /nfs/dbraw/zinc/60/25/92/387602592.db2.gz HPJZAZIKPIZKGK-DYEKYZERSA-N 3 0 239.407 1.291 20 0 BDADRP COC[C@H](C)C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422702335 387617922 /nfs/dbraw/zinc/61/79/22/387617922.db2.gz KNNDBUDHDYESRL-GRYCIOLGSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@H](CN[C@H]1CCC[C@@H]1[NH3+])C[NH+]1CCCCC1 ZINC000422714096 387629501 /nfs/dbraw/zinc/62/95/01/387629501.db2.gz QRUPTGIRLFHQCR-RDBSUJKOSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCN(C)CC(F)(F)F ZINC000422704028 387619236 /nfs/dbraw/zinc/61/92/36/387619236.db2.gz JPFZNAVKJUZTSF-DTWKUNHWSA-N 2 0 241.301 1.196 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H](O)C1CCCCC1 ZINC000422705767 387621029 /nfs/dbraw/zinc/62/10/29/387621029.db2.gz SDQXETTWEBVJGN-GMXVVIOVSA-N 2 0 228.380 1.643 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422706626 387621440 /nfs/dbraw/zinc/62/14/40/387621440.db2.gz FNPZVIMJYIDTGH-ZRUFSTJUSA-N 2 0 202.342 1.109 20 0 BDADRP Cn1cc(CC[NH2+][C@H]2CCCCC[C@H]2[NH3+])cn1 ZINC000422708687 387622382 /nfs/dbraw/zinc/62/23/82/387622382.db2.gz CFWFEBROOFPOKK-OLZOCXBDSA-N 2 0 236.363 1.212 20 0 BDADRP CCCC[N@H+](C)CCN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422708809 387623275 /nfs/dbraw/zinc/62/32/75/387623275.db2.gz JKDJKQCIRVZOOD-KBPBESRZSA-N 2 0 241.423 1.839 20 0 BDADRP CCC[C@H](O)C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422708813 387623546 /nfs/dbraw/zinc/62/35/46/387623546.db2.gz JKQLLKFWCGRKJR-GRYCIOLGSA-N 2 0 214.353 1.125 20 0 BDADRP CC[N@H+](C)CCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000422708084 387623984 /nfs/dbraw/zinc/62/39/84/387623984.db2.gz BIVXBBUDJGFXOQ-VXGBXAGGSA-N 2 0 213.369 1.188 20 0 BDADRP CCC[C@H](O)C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422708815 387624219 /nfs/dbraw/zinc/62/42/19/387624219.db2.gz JKQLLKFWCGRKJR-SRVKXCTJSA-N 2 0 214.353 1.125 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NC1CC[NH+](CC2CC2)CC1 ZINC000422712532 387625841 /nfs/dbraw/zinc/62/58/41/387625841.db2.gz GUWJDJADSQPWPV-NWDGAFQWSA-N 2 0 239.407 1.576 20 0 BDADRP CCCC[N@H+](C)CCN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000422711395 387626187 /nfs/dbraw/zinc/62/61/87/387626187.db2.gz NBAPKSXJPDGYKY-CHWSQXEVSA-N 2 0 227.396 1.448 20 0 BDADRP CCC[C@H](O)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422713307 387626654 /nfs/dbraw/zinc/62/66/54/387626654.db2.gz PLNHEPVMMHLGEF-MCIGGMRASA-N 2 0 214.353 1.255 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000305111666 387555655 /nfs/dbraw/zinc/55/56/55/387555655.db2.gz GEBJVDUWZLMOLK-XDQVBPFNSA-N 2 0 242.407 1.713 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000305111207 387555826 /nfs/dbraw/zinc/55/58/26/387555826.db2.gz CZMNGSKMQOQLFI-MJBXVCDLSA-N 2 0 242.407 1.715 20 0 BDADRP COC(=O)c1ccc(C[NH2+]CCCC[NH3+])cc1 ZINC000037714871 387565509 /nfs/dbraw/zinc/56/55/09/387565509.db2.gz HQHRKJKSYLWYIF-UHFFFAOYSA-N 2 0 236.315 1.302 20 0 BDADRP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)nc1 ZINC000399680619 387565745 /nfs/dbraw/zinc/56/57/45/387565745.db2.gz QJIPFAUCDBQOJT-UKRRQHHQSA-N 2 0 247.386 1.862 20 0 BDADRP C[C@H]([NH2+]CCC[NH3+])c1ccc(-n2ccnc2)cc1 ZINC000037713526 387566206 /nfs/dbraw/zinc/56/62/06/387566206.db2.gz NPCTYWOKASUTJS-LBPRGKRZSA-N 2 0 244.342 1.872 20 0 BDADRP CC(C)OCCC[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430579136 387630023 /nfs/dbraw/zinc/63/00/23/387630023.db2.gz BNWJDQBJGXJZDU-STQMWFEESA-N 2 0 228.380 1.861 20 0 BDADRP CCc1noc(C)c1CN[C@@](C)(C[NH3+])C1CC1 ZINC000430594988 387630842 /nfs/dbraw/zinc/63/08/42/387630842.db2.gz SUWQBMAQZXVDKN-ZDUSSCGKSA-N 2 0 237.347 1.762 20 0 BDADRP CN(CC[N@H+](C)CCC[NH3+])c1ccccc1 ZINC000430596453 387631472 /nfs/dbraw/zinc/63/14/72/387631472.db2.gz OEQLQRQLEPRAEC-UHFFFAOYSA-N 2 0 221.348 1.403 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCCOC1)[C@H]1CCCC[NH2+]1 ZINC000422721841 387633104 /nfs/dbraw/zinc/63/31/04/387633104.db2.gz WDKOPOCBQHBDJH-FRRDWIJNSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C1CC1 ZINC000422726321 387636195 /nfs/dbraw/zinc/63/61/95/387636195.db2.gz DOCAHCWLULISJH-ZWNOBZJWSA-N 2 0 204.317 1.697 20 0 BDADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCOCC1CC1 ZINC000126718124 387694852 /nfs/dbraw/zinc/69/48/52/387694852.db2.gz IELRYGQVYRTDAA-ZDUSSCGKSA-N 2 0 228.380 1.718 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC1CCSCC1 ZINC000422730871 387637924 /nfs/dbraw/zinc/63/79/24/387637924.db2.gz MPGCTIHLRBDEEA-UWVGGRQHSA-N 2 0 216.394 1.845 20 0 BDADRP CO[C@H](CN[C@H]1C[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000422730404 387637952 /nfs/dbraw/zinc/63/79/52/387637952.db2.gz DUZGTTJDRTXNQN-AEGPPILISA-N 2 0 248.370 1.962 20 0 BDADRP C[NH2+]CCCN1CCc2nc(C(C)C)ncc2C1 ZINC000527616950 387640351 /nfs/dbraw/zinc/64/03/51/387640351.db2.gz RXNCQSVDTHKURA-UHFFFAOYSA-N 2 0 248.374 1.568 20 0 BDADRP CC(C)CC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422733503 387641096 /nfs/dbraw/zinc/64/10/96/387641096.db2.gz QWXZRDBHEMBSDI-MELADBBJSA-N 2 0 240.391 1.779 20 0 BDADRP CC[NH+](CC)CCCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000422734171 387643824 /nfs/dbraw/zinc/64/38/24/387643824.db2.gz SDMZQKVNXXPJOK-KBPBESRZSA-N 2 0 241.423 1.968 20 0 BDADRP COCCC[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422734671 387643888 /nfs/dbraw/zinc/64/38/88/387643888.db2.gz UQAIJBDBHYLJTK-JSGCOSHPSA-N 2 0 236.359 1.571 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@]1(C)CCOC1 ZINC000422738684 387644560 /nfs/dbraw/zinc/64/45/60/387644560.db2.gz ZCEISWKPFUEFMC-UPJWGTAASA-N 2 0 226.364 1.391 20 0 BDADRP C[N@H+](CCCn1ccnc1)[C@@H](CO)C(C)(C)C ZINC000305759539 387647296 /nfs/dbraw/zinc/64/72/96/387647296.db2.gz BSSMEPRBBXGWBM-LBPRGKRZSA-N 2 0 239.363 1.612 20 0 BDADRP COc1ccc(CCC[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000422744937 387648408 /nfs/dbraw/zinc/64/84/08/387648408.db2.gz WUTUIDSHXYSTNT-LBPRGKRZSA-N 2 0 248.370 1.825 20 0 BDADRP CC[C@H]([NH3+])C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000430778203 387648765 /nfs/dbraw/zinc/64/87/65/387648765.db2.gz PLMADMFFPHWGDA-NEPJUHHUSA-N 2 0 241.379 1.057 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCN(C2CC2)C1 ZINC000422747459 387650156 /nfs/dbraw/zinc/65/01/56/387650156.db2.gz YSMISYMCUHVGNP-YUTCNCBUSA-N 2 0 237.391 1.473 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000422748110 387653284 /nfs/dbraw/zinc/65/32/84/387653284.db2.gz RZKZOTSBLCULSD-MNOVXSKESA-N 2 0 204.317 1.945 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCCO1 ZINC000422748974 387653699 /nfs/dbraw/zinc/65/36/99/387653699.db2.gz WXQAPKIGNZUZBM-GRYCIOLGSA-N 2 0 212.337 1.143 20 0 BDADRP CC[C@H](NCC[NH+](CC)CC)[C@@H]1CCC[NH2+]1 ZINC000422748701 387653981 /nfs/dbraw/zinc/65/39/81/387653981.db2.gz VRFPWYQMNRGFHO-STQMWFEESA-N 2 0 227.396 1.448 20 0 BDADRP C[C@@H]([NH3+])CC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000430801970 387655010 /nfs/dbraw/zinc/65/50/10/387655010.db2.gz INRSRUFZGRUVMX-MNOVXSKESA-N 2 0 243.395 1.206 20 0 BDADRP CC[C@@H]([NH2+][C@@H](C)CSC)[C@@H]1CCC[NH2+]1 ZINC000422750027 387656162 /nfs/dbraw/zinc/65/61/62/387656162.db2.gz BXJCLJKVMGCXSA-AXFHLTTASA-N 2 0 216.394 1.858 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCn1cnc2ccccc21 ZINC000422755273 387657903 /nfs/dbraw/zinc/65/79/03/387657903.db2.gz GOEXXAFJXAQZEN-VXGBXAGGSA-N 2 0 244.342 1.506 20 0 BDADRP CS[C@@H]1CCC[C@H]([NH2+][C@H](C)C2C[NH2+]C2)C1 ZINC000422752758 387658268 /nfs/dbraw/zinc/65/82/68/387658268.db2.gz DAOKOYMNBAUWAD-ADEWGFFLSA-N 2 0 228.405 1.858 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@@H](C)C[C@@H](C)[NH3+] ZINC000422756869 387660679 /nfs/dbraw/zinc/66/06/79/387660679.db2.gz MATOIFNESNIGJV-GRYCIOLGSA-N 2 0 213.369 1.186 20 0 BDADRP Cc1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422759065 387660865 /nfs/dbraw/zinc/66/08/65/387660865.db2.gz OUOZLLBIUWAUFE-UONOGXRCSA-N 2 0 234.343 1.843 20 0 BDADRP C[C@H]([NH2+]CCOC1CCCCCC1)C1C[NH2+]C1 ZINC000422757644 387661511 /nfs/dbraw/zinc/66/15/11/387661511.db2.gz IRHYFWDCFZXHDP-LBPRGKRZSA-N 2 0 240.391 1.923 20 0 BDADRP Cc1ccc(OCC[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422759061 387661796 /nfs/dbraw/zinc/66/17/96/387661796.db2.gz OUOZLLBIUWAUFE-KBPBESRZSA-N 2 0 234.343 1.843 20 0 BDADRP Cc1ccc(OCC[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000422761325 387662505 /nfs/dbraw/zinc/66/25/05/387662505.db2.gz RBYKVFQHNPXPBJ-GFCCVEGCSA-N 2 0 234.343 1.571 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000422761490 387662697 /nfs/dbraw/zinc/66/26/97/387662697.db2.gz MQLWNXGQMYPSBI-XUXIUFHCSA-N 2 0 241.423 1.822 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000422759732 387663064 /nfs/dbraw/zinc/66/30/64/387663064.db2.gz GARNEAVVGJKHTE-IHRRRGAJSA-N 2 0 241.423 1.966 20 0 BDADRP C[C@@H]([NH2+]CCc1ccccc1F)C1C[NH2+]C1 ZINC000422761178 387663826 /nfs/dbraw/zinc/66/38/26/387663826.db2.gz LOXIMMJRPSXUDO-SNVBAGLBSA-N 2 0 222.307 1.566 20 0 BDADRP CC(C)[NH+](CCN[C@H]1C[NH2+]CC[C@@H]1C)C(C)C ZINC000422760892 387664245 /nfs/dbraw/zinc/66/42/45/387664245.db2.gz QOLIZSAHPLEXKQ-KBPBESRZSA-N 2 0 241.423 1.693 20 0 BDADRP C[C@H]([NH2+]CCc1cccs1)C1C[NH2+]C1 ZINC000422763149 387664945 /nfs/dbraw/zinc/66/49/45/387664945.db2.gz TUGHGQRTSXJBAB-VIFPVBQESA-N 2 0 210.346 1.488 20 0 BDADRP C[C@@H](NCCC[N@@H+]1CCCC[C@H]1C)C1C[NH2+]C1 ZINC000422765782 387666682 /nfs/dbraw/zinc/66/66/82/387666682.db2.gz LFHBSHLBOKYEJU-CHWSQXEVSA-N 2 0 239.407 1.448 20 0 BDADRP C[NH+](C)C[C@](C)(O)C[NH2+]CC1CCCCC1 ZINC000125894783 387666834 /nfs/dbraw/zinc/66/68/34/387666834.db2.gz FXRRZYAVEFXUHN-CYBMUJFWSA-N 2 0 228.380 1.469 20 0 BDADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@@H](C)C1C[NH2+]C1 ZINC000422769548 387666998 /nfs/dbraw/zinc/66/69/98/387666998.db2.gz VEJLPXUFSGYDJD-AGIUHOORSA-N 2 0 239.407 1.304 20 0 BDADRP CC[C@H]([NH2+]CCCSC)[C@@H]1CCC[NH2+]1 ZINC000422768694 387667196 /nfs/dbraw/zinc/66/71/96/387667196.db2.gz ZOMNGTVWJRLNFZ-QWRGUYRKSA-N 2 0 216.394 1.860 20 0 BDADRP C[NH+](C)C[C@](C)(O)C[NH2+]C1CCC2(CC2)CC1 ZINC000362912459 387669251 /nfs/dbraw/zinc/66/92/51/387669251.db2.gz LZUTXEZVSGOQOO-CYBMUJFWSA-N 2 0 240.391 1.611 20 0 BDADRP C[NH+](C)CCOCC[NH2+]C1CCC2(CC2)CC1 ZINC000362926085 387673476 /nfs/dbraw/zinc/67/34/76/387673476.db2.gz XJOZJWPHWUGKID-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP CC(C)CCOCC[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422776554 387675397 /nfs/dbraw/zinc/67/53/97/387675397.db2.gz CYJARIRLKMCGSF-LLVKDONJSA-N 2 0 214.353 1.247 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCCC[NH+](C)C ZINC000422778062 387676008 /nfs/dbraw/zinc/67/60/08/387676008.db2.gz HBJUXSHLKPYTOV-CHWSQXEVSA-N 3 0 227.396 1.306 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C2C[NH2+]C2)C12CCC2 ZINC000422780025 387676858 /nfs/dbraw/zinc/67/68/58/387676858.db2.gz JQUWIKLDBGNAIU-RAIGVLPGSA-N 2 0 238.375 1.532 20 0 BDADRP CC(C)[C@@H](O)CC[NH2+][C@@H](C)CCC[NH3+] ZINC000422779056 387677729 /nfs/dbraw/zinc/67/77/29/387677729.db2.gz IHEUUGWRIUZUOS-QWRGUYRKSA-N 2 0 202.342 1.110 20 0 BDADRP C[C@@H](NCCC[NH+]1CCCC1)c1c[nH+]ccc1N ZINC000422780023 387678366 /nfs/dbraw/zinc/67/83/66/387678366.db2.gz GQPZTAAUJGRQJF-GFCCVEGCSA-N 2 0 248.374 1.631 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000422783237 387682993 /nfs/dbraw/zinc/68/29/93/387682993.db2.gz NWSCSZMDDAZADP-KIJLLGNVSA-N 2 0 240.391 1.905 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1NCCC[NH+]1CCCC1 ZINC000422784482 387683178 /nfs/dbraw/zinc/68/31/78/387683178.db2.gz MGPIYRUXNSRSPA-KGLIPLIRSA-N 2 0 239.407 1.722 20 0 BDADRP C(C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)COCC1CC1 ZINC000422783391 387684529 /nfs/dbraw/zinc/68/45/29/387684529.db2.gz KXXXAWJXUXOBGW-PBWFPOADSA-N 2 0 238.375 1.676 20 0 BDADRP CC[C@@H](F)CN1CCN(c2nccn2C)CC1 ZINC000440771434 387688634 /nfs/dbraw/zinc/68/86/34/387688634.db2.gz NPJMOQWVSOIPJF-LLVKDONJSA-N 2 0 240.326 1.290 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCc1ccccc1 ZINC000422744017 387689131 /nfs/dbraw/zinc/68/91/31/387689131.db2.gz JONWPIXMNGEBLW-VXGBXAGGSA-N 2 0 206.333 1.945 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000422743873 387691315 /nfs/dbraw/zinc/69/13/15/387691315.db2.gz SBJKNGHRDXAMTI-OBJOEFQTSA-N 2 0 236.359 1.305 20 0 BDADRP CC[C@H](NC1CC[NH+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422792050 387693298 /nfs/dbraw/zinc/69/32/98/387693298.db2.gz WTMFODDFHIRDJU-STQMWFEESA-N 2 0 225.380 1.201 20 0 BDADRP CC[NH+](CC)CCN[C@H](C)C[C@@H](C)[NH3+] ZINC000422744850 387693384 /nfs/dbraw/zinc/69/33/84/387693384.db2.gz KYCGGKNFWUHXJS-GHMZBOCLSA-N 2 0 201.358 1.044 20 0 BDADRP C[C@H](CN[C@@H](C)C[C@H](C)[NH3+])[N@@H+]1CCCC[C@@H]1C ZINC000422859743 387744036 /nfs/dbraw/zinc/74/40/36/387744036.db2.gz KFOIGPKWTNXLPZ-XDQVBPFNSA-N 2 0 241.423 1.965 20 0 BDADRP C[C@H](N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000422861063 387744722 /nfs/dbraw/zinc/74/47/22/387744722.db2.gz IWPSFOKHDXQSHP-ZJQBRPOHSA-N 2 0 237.391 1.342 20 0 BDADRP CN(C)c1ncccc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000422860878 387745203 /nfs/dbraw/zinc/74/52/03/387745203.db2.gz LZKBTAQKFZWBOE-YPMHNXCESA-N 2 0 248.374 1.365 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000422861529 387745414 /nfs/dbraw/zinc/74/54/14/387745414.db2.gz OIYBONWSBPBFDO-YUTCNCBUSA-N 2 0 237.391 1.473 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1CCCS1 ZINC000422878478 387756497 /nfs/dbraw/zinc/75/64/97/387756497.db2.gz TWWNFQHZKKZRAG-AEJSXWLSSA-N 2 0 202.367 1.597 20 0 BDADRP CC[C@@H](NCC[N@H+](CC)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000422879838 387754637 /nfs/dbraw/zinc/75/46/37/387754637.db2.gz MVHBBAVTDUNEMB-KGLIPLIRSA-N 2 0 239.407 1.591 20 0 BDADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000422794605 387697192 /nfs/dbraw/zinc/69/71/92/387697192.db2.gz ZELZGUFADJCKOS-KBPBESRZSA-N 3 0 239.407 1.578 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CC1(CCO)CCCC1 ZINC000422805381 387703299 /nfs/dbraw/zinc/70/32/99/387703299.db2.gz GOXCKWNAWKPVRE-RYUDHWBXSA-N 2 0 226.364 1.399 20 0 BDADRP CC(C)CCC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000422806258 387704501 /nfs/dbraw/zinc/70/45/01/387704501.db2.gz NESQBVUSSQOWSI-RWMBFGLXSA-N 2 0 228.380 1.765 20 0 BDADRP CCC(CC)(CCO)C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422806291 387705369 /nfs/dbraw/zinc/70/53/69/387705369.db2.gz HVVAQFIYYPYSON-NWDGAFQWSA-N 2 0 228.380 1.645 20 0 BDADRP CC(C)C[C@H](CN[C@@H](C)C1C[NH2+]C1)[NH+](C)C ZINC000422817386 387714044 /nfs/dbraw/zinc/71/40/44/387714044.db2.gz HMQFPQWNXHZHQT-WCQYABFASA-N 2 0 227.396 1.160 20 0 BDADRP CCC[N@H+](CC)CCN[C@@H]1C[NH2+]CC[C@H]1C ZINC000422818300 387714162 /nfs/dbraw/zinc/71/41/62/387714162.db2.gz GBAFMISQXBYMMS-CHWSQXEVSA-N 2 0 227.396 1.306 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)C1CCOCC1 ZINC000422816312 387714400 /nfs/dbraw/zinc/71/44/00/387714400.db2.gz ZLQZQZPMFRMQSN-UBHSHLNASA-N 2 0 240.391 1.922 20 0 BDADRP CCC[N@H+](CC)CCN[C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422818472 387714690 /nfs/dbraw/zinc/71/46/90/387714690.db2.gz GJTOXGKDVLVTQD-KBPBESRZSA-N 2 0 241.423 1.839 20 0 BDADRP CC(C)C[NH+]1CCC([NH2+][C@H](C)CCC[NH3+])CC1 ZINC000422818416 387714855 /nfs/dbraw/zinc/71/48/55/387714855.db2.gz KKYUPWCODLHLGE-CYBMUJFWSA-N 3 0 241.423 1.824 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)C1CCOCC1 ZINC000422816308 387714958 /nfs/dbraw/zinc/71/49/58/387714958.db2.gz ZLQZQZPMFRMQSN-FPMFFAJLSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCN(C)c1ccccc1 ZINC000422814776 387715090 /nfs/dbraw/zinc/71/50/90/387715090.db2.gz WBBIPPGBKFVHAV-QWHCGFSZSA-N 2 0 235.375 1.838 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCCNc1ccccn1 ZINC000422831124 387723039 /nfs/dbraw/zinc/72/30/39/387723039.db2.gz JETWGUIKDSVOFS-VXGBXAGGSA-N 2 0 236.363 1.599 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]C[C@@]1(N(C)C)CCSC1 ZINC000422832520 387725172 /nfs/dbraw/zinc/72/51/72/387725172.db2.gz XVMKAYIHYCXSFU-RYUDHWBXSA-N 2 0 245.436 1.141 20 0 BDADRP CC[C@@H](N[C@H]1CCC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000643523015 387725386 /nfs/dbraw/zinc/72/53/86/387725386.db2.gz SYWFZDFECLRWEY-XQQFMLRXSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@H](N[C@@H]1CCC[NH2+]CC1)[C@H]1CCCC[NH2+]1 ZINC000643523073 387725902 /nfs/dbraw/zinc/72/59/02/387725902.db2.gz UXUCXIAEXMBRQL-YNEHKIRRSA-N 2 0 225.380 1.249 20 0 BDADRP C1C[C@H]2CC(N[C@@H]3CC[N@@H+]4CCCC[C@H]34)C[C@@H]1[NH2+]2 ZINC000422879740 387755643 /nfs/dbraw/zinc/75/56/43/387755643.db2.gz KYBZLSBMZUZCPZ-JSPOSNOBSA-N 2 0 249.402 1.486 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCc1nccs1 ZINC000422841749 387731838 /nfs/dbraw/zinc/73/18/38/387731838.db2.gz WWFQJWWPTBOWQY-GHMZBOCLSA-N 2 0 239.388 1.935 20 0 BDADRP CC(C)[C@H](O)CC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422789776 387732624 /nfs/dbraw/zinc/73/26/24/387732624.db2.gz WYTSWMAZJQPLPX-RWMBFGLXSA-N 2 0 228.380 1.371 20 0 BDADRP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)[C@H]1CCCOC1 ZINC000356855891 387733264 /nfs/dbraw/zinc/73/32/64/387733264.db2.gz VOUCNPZEZCUVSE-STQMWFEESA-N 2 0 242.407 1.979 20 0 BDADRP CC(C)[C@@H]([NH3+])CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000422846650 387734525 /nfs/dbraw/zinc/73/45/25/387734525.db2.gz FXZUCLXKAMXNQE-LBPRGKRZSA-N 2 0 246.314 1.047 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCN1CCCC[C@H]1C ZINC000422857088 387740639 /nfs/dbraw/zinc/74/06/39/387740639.db2.gz GVFCEFSHFAXTIB-ZIAGYGMSSA-N 2 0 241.423 1.968 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)C1CCOCC1 ZINC000422892039 387763746 /nfs/dbraw/zinc/76/37/46/387763746.db2.gz LWASCNCEWQBUGW-MDZLAQPJSA-N 2 0 226.364 1.532 20 0 BDADRP COC(C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)OC ZINC000129152574 387764866 /nfs/dbraw/zinc/76/48/66/387764866.db2.gz XYZZUAAJQZOZGK-NEPJUHHUSA-N 2 0 242.363 1.021 20 0 BDADRP CC(C)O[C@H]1C[C@@H]([NH2+]C[C@H](C)[NH3+])C1(C)C ZINC000643527515 387766727 /nfs/dbraw/zinc/76/67/27/387766727.db2.gz NWAGCCZMUOYEQZ-AXFHLTTASA-N 2 0 214.353 1.515 20 0 BDADRP CN1CCC[C@@H]1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422904704 387767512 /nfs/dbraw/zinc/76/75/12/387767512.db2.gz QLJMICRVFWABFM-WXRRBKDZSA-N 2 0 225.380 1.188 20 0 BDADRP Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cn1 ZINC000422904417 387767648 /nfs/dbraw/zinc/76/76/48/387767648.db2.gz XKJNFFXXYVPFIQ-KOLCDFICSA-N 2 0 207.321 1.605 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000422910919 387768628 /nfs/dbraw/zinc/76/86/28/387768628.db2.gz RVYFGBZRHFSMMT-MGPQQGTHSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCc2ccccc21)C1C[NH2+]C1 ZINC000422911453 387769047 /nfs/dbraw/zinc/76/90/47/387769047.db2.gz SVSGLPZRIYXOGB-DGCLKSJQSA-N 2 0 230.355 1.914 20 0 BDADRP CCn1cc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cn1 ZINC000422913202 387770545 /nfs/dbraw/zinc/77/05/45/387770545.db2.gz PJIWHJHHWODSPF-DGCLKSJQSA-N 2 0 236.363 1.381 20 0 BDADRP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422921641 387775298 /nfs/dbraw/zinc/77/52/98/387775298.db2.gz OJNVIQBODHQDHY-FRRDWIJNSA-N 2 0 242.407 1.761 20 0 BDADRP C[C@H]([NH3+])CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000643529910 387776939 /nfs/dbraw/zinc/77/69/39/387776939.db2.gz WBBGUIQOXOPQKN-KPXOXKRLSA-N 2 0 205.305 1.068 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CCSC1)[C@@H]1CCC[NH2+]1 ZINC000422922292 387777099 /nfs/dbraw/zinc/77/70/99/387777099.db2.gz SMRNADDQWLVUIF-VWYCJHECSA-N 2 0 214.378 1.612 20 0 BDADRP Cc1cccc(NCC[NH2+][C@H]2CCC[C@@H]2[NH3+])n1 ZINC000422922805 387778313 /nfs/dbraw/zinc/77/83/13/387778313.db2.gz UPADZDJWWZBJSB-RYUDHWBXSA-N 2 0 234.347 1.271 20 0 BDADRP COCCOC[C@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422926042 387779243 /nfs/dbraw/zinc/77/92/43/387779243.db2.gz VZDQWCVSBMZANS-HIFPTAJRSA-N 2 0 244.379 1.145 20 0 BDADRP CCC1(CC)[C@H]([NH2+][C@@H](C)C2C[NH2+]C2)C[C@@H]1OC ZINC000422938011 387782865 /nfs/dbraw/zinc/78/28/65/387782865.db2.gz KLXGQNUEUPTVQU-UHTWSYAYSA-N 2 0 240.391 1.778 20 0 BDADRP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]C1CC[NH2+]CC1 ZINC000422934879 387782885 /nfs/dbraw/zinc/78/28/85/387782885.db2.gz GOQKXDNMOALMKY-QWHCGFSZSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCOc1ccc(F)cc1 ZINC000422945028 387785692 /nfs/dbraw/zinc/78/56/92/387785692.db2.gz SZECKZUJAIQBSM-GHMZBOCLSA-N 2 0 240.322 1.920 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H](CCC)[NH+](C)C ZINC000422900912 387785749 /nfs/dbraw/zinc/78/57/49/387785749.db2.gz KHZJJHONDZPAHT-VXGBXAGGSA-N 2 0 243.395 1.350 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCOc1ccc(F)cc1 ZINC000422945030 387786147 /nfs/dbraw/zinc/78/61/47/387786147.db2.gz SZECKZUJAIQBSM-QWRGUYRKSA-N 2 0 240.322 1.920 20 0 BDADRP CCC[N@@H+]1CC[C@H](CN[C@H](C)C[C@H](C)[NH3+])C1 ZINC000422977962 387788707 /nfs/dbraw/zinc/78/87/07/387788707.db2.gz YCSPWTSFLOUIPL-YNEHKIRRSA-N 2 0 227.396 1.434 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](CO)c1ccccc1 ZINC000422983428 387793488 /nfs/dbraw/zinc/79/34/88/387793488.db2.gz ZLKFXINIWXWMQP-DMDPSCGWSA-N 2 0 222.332 1.435 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422981813 387794624 /nfs/dbraw/zinc/79/46/24/387794624.db2.gz UMVFBJJDEWZMHG-AGIUHOORSA-N 2 0 228.380 1.515 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCO[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422986495 387795776 /nfs/dbraw/zinc/79/57/76/387795776.db2.gz HALLYZHLZKIIAN-VOAKCMCISA-N 2 0 226.364 1.532 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000422985952 387796334 /nfs/dbraw/zinc/79/63/34/387796334.db2.gz GCFSCJNFPGYABX-MFKMUULPSA-N 2 0 240.322 1.576 20 0 BDADRP C[C@H]1C[C@H](C[NH2+]C2CCC(C[NH3+])CC2)CCO1 ZINC000422985704 387796435 /nfs/dbraw/zinc/79/64/35/387796435.db2.gz FVXUBVPRVQVBRV-RJZJGCCBSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCO[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422986494 387796555 /nfs/dbraw/zinc/79/65/55/387796555.db2.gz HALLYZHLZKIIAN-NDBYEHHHSA-N 2 0 226.364 1.532 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CC23CC(C2)CO3)[C@@H](C)C1 ZINC000527978967 387796632 /nfs/dbraw/zinc/79/66/32/387796632.db2.gz LZQYCCIRVAFWSA-RJZJGCCBSA-N 2 0 238.375 1.485 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC(C)(C)CCCO ZINC000422989458 387797554 /nfs/dbraw/zinc/79/75/54/387797554.db2.gz LWGSGAPOYPQTGE-CHWSQXEVSA-N 2 0 242.407 1.763 20 0 BDADRP C[C@@H]([NH2+]CC1(CCO)CCC1)[C@H]1CCC[NH2+]1 ZINC000422989206 387797860 /nfs/dbraw/zinc/79/78/60/387797860.db2.gz KUPAWJRMHXBUCV-VXGBXAGGSA-N 2 0 226.364 1.269 20 0 BDADRP CCN1CCC([N@H+](C)CCOC(C)C)CC1 ZINC000157449274 387798166 /nfs/dbraw/zinc/79/81/66/387798166.db2.gz QXLDHAGGHOKXAE-UHFFFAOYSA-N 2 0 228.380 1.828 20 0 BDADRP Cc1ccsc1[C@H](CO)[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422988060 387798420 /nfs/dbraw/zinc/79/84/20/387798420.db2.gz HZZJEGRBTZXNHF-AXFHLTTASA-N 2 0 242.388 1.805 20 0 BDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000422990973 387800255 /nfs/dbraw/zinc/80/02/55/387800255.db2.gz OVOHPDPJBYVIAW-XQHKEYJVSA-N 2 0 225.380 1.044 20 0 BDADRP CCOc1cccc(CC[NH2+][C@H](C)C2C[NH2+]C2)c1 ZINC000422992446 387800712 /nfs/dbraw/zinc/80/07/12/387800712.db2.gz CJPJCFQQZMBYBY-GFCCVEGCSA-N 2 0 248.370 1.825 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)CCO1 ZINC000422990518 387801125 /nfs/dbraw/zinc/80/11/25/387801125.db2.gz NREYJSZINLYVIY-CRWXNKLISA-N 2 0 240.391 1.920 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000422994211 387801933 /nfs/dbraw/zinc/80/19/33/387801933.db2.gz UXAGCQBLODCKIG-TUAOUCFPSA-N 2 0 213.369 1.044 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000423001253 387804800 /nfs/dbraw/zinc/80/48/00/387804800.db2.gz DJJZTIYAWPNLCS-JHJVBQTASA-N 2 0 228.380 1.645 20 0 BDADRP CC(C)[C@H](O)C(C)(C)C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000423000966 387804987 /nfs/dbraw/zinc/80/49/87/387804987.db2.gz HFCNATALJZWCST-PWSUYJOCSA-N 2 0 228.380 1.227 20 0 BDADRP COc1cccc(CCC[NH2+][C@H](C)C2C[NH2+]C2)c1 ZINC000422949253 387806733 /nfs/dbraw/zinc/80/67/33/387806733.db2.gz UOZCPOXYDZQZJC-GFCCVEGCSA-N 2 0 248.370 1.825 20 0 BDADRP Cc1ccccc1OCC[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422949134 387806843 /nfs/dbraw/zinc/80/68/43/387806843.db2.gz SXEAOARCCSPUHE-STQMWFEESA-N 2 0 234.343 1.843 20 0 BDADRP C[NH+](C)CC1CC[NH+](Cc2cccnc2N)CC1 ZINC000052725789 387807314 /nfs/dbraw/zinc/80/73/14/387807314.db2.gz GIFKOUIYXCYOSW-UHFFFAOYSA-N 2 0 248.374 1.437 20 0 BDADRP CCCC[C@@H]([NH3+])C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000442603007 387807820 /nfs/dbraw/zinc/80/78/20/387807820.db2.gz JOYDQIZOSOJPLL-VXGBXAGGSA-N 2 0 241.379 1.091 20 0 BDADRP C[C@@H]([NH3+])CN(Cc1cccc(O)c1)CC1CC1 ZINC000442657239 387813551 /nfs/dbraw/zinc/81/35/51/387813551.db2.gz HDQTVBPLYCXOSS-LLVKDONJSA-N 2 0 234.343 1.951 20 0 BDADRP Cc1nccn1C[C@H](C)C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422952485 387809779 /nfs/dbraw/zinc/80/97/79/387809779.db2.gz CNEJFMRJBOSBBG-IJLUTSLNSA-N 2 0 238.379 1.543 20 0 BDADRP CC(C)[N@H+](C)CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422882358 387757692 /nfs/dbraw/zinc/75/76/92/387757692.db2.gz SAJBMCAMODXMOZ-FUNVUKJBSA-N 2 0 225.380 1.199 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000422883166 387758538 /nfs/dbraw/zinc/75/85/38/387758538.db2.gz BSQBQSWXOTWFGM-NWBUJAPZSA-N 2 0 226.364 1.659 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCOc2ccccc21)C1C[NH2+]C1 ZINC000422885827 387759468 /nfs/dbraw/zinc/75/94/68/387759468.db2.gz HGVHOOJLPGINFJ-RYUDHWBXSA-N 2 0 246.354 1.750 20 0 BDADRP COCCC1(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)CCC1 ZINC000422886859 387759618 /nfs/dbraw/zinc/75/96/18/387759618.db2.gz JUPXUBSBDGGJNW-CHWSQXEVSA-N 2 0 240.391 1.923 20 0 BDADRP Cc1nc(C)c(CC[NH2+][C@@H]2CCC[C@H]2[NH3+])s1 ZINC000422888555 387759676 /nfs/dbraw/zinc/75/96/76/387759676.db2.gz NGTJWRCFWMTLLP-GHMZBOCLSA-N 2 0 239.388 1.772 20 0 BDADRP COCCC1(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])CCC1 ZINC000422887952 387761355 /nfs/dbraw/zinc/76/13/55/387761355.db2.gz LUOVBETXPCDZCK-NEPJUHHUSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H](C)CCO ZINC000422973978 387824107 /nfs/dbraw/zinc/82/41/07/387824107.db2.gz DBICFAUDRQBHGF-BZPMIXESSA-N 2 0 236.359 1.305 20 0 BDADRP CCC[N@@H+]1CC[C@@H](CN[C@@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000422975081 387824371 /nfs/dbraw/zinc/82/43/71/387824371.db2.gz SHROYWZXLZCQRG-IHRRRGAJSA-N 2 0 239.407 1.448 20 0 BDADRP [NH3+]CC1CCC([NH2+]CCc2ccncc2)CC1 ZINC000423003761 387825991 /nfs/dbraw/zinc/82/59/91/387825991.db2.gz INIYBYPLFPNZIN-UHFFFAOYSA-N 2 0 233.359 1.731 20 0 BDADRP CC[C@H]([NH2+]CC(CC)(CC)CO)[C@@H]1CCC[NH2+]1 ZINC000423004874 387826919 /nfs/dbraw/zinc/82/69/19/387826919.db2.gz QCGKPFZEXZBUKJ-STQMWFEESA-N 2 0 242.407 1.905 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC1(CCO)CCCCC1 ZINC000423005894 387829160 /nfs/dbraw/zinc/82/91/60/387829160.db2.gz NMYVLEPIQFLQJY-CHWSQXEVSA-N 2 0 240.391 1.789 20 0 BDADRP CCC(CC)(CO)C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000423006830 387829166 /nfs/dbraw/zinc/82/91/66/387829166.db2.gz WNNLXXSKKAEIAU-STQMWFEESA-N 2 0 242.407 1.763 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCNc1ccccn1 ZINC000423008183 387831564 /nfs/dbraw/zinc/83/15/64/387831564.db2.gz SNTHHFVTNLSRML-CHWSQXEVSA-N 2 0 248.374 1.471 20 0 BDADRP CCC[C@@H](CCO)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423008522 387832194 /nfs/dbraw/zinc/83/21/94/387832194.db2.gz SWYAAAPNFIXKBN-IHRRRGAJSA-N 2 0 242.407 1.905 20 0 BDADRP CC[NH2+]CCNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000151381464 387833330 /nfs/dbraw/zinc/83/33/30/387833330.db2.gz HFAJQVSQUWEGLT-VXGBXAGGSA-N 2 0 241.379 1.010 20 0 BDADRP CC(C)[C@H](O)C1(C[NH2+][C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000423011196 387833729 /nfs/dbraw/zinc/83/37/29/387833729.db2.gz APROJLBOGHVRNY-AVGNSLFASA-N 2 0 240.391 1.501 20 0 BDADRP Cc1cncc(C[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000423011936 387834075 /nfs/dbraw/zinc/83/40/75/387834075.db2.gz JQSBFENJQWZCSC-LBPRGKRZSA-N 2 0 221.348 1.997 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)[C@H]1CCCCO1 ZINC000643479109 387834559 /nfs/dbraw/zinc/83/45/59/387834559.db2.gz RAILPWMEATYOJL-REWJHTLYSA-N 2 0 240.391 1.922 20 0 BDADRP CC[C@@H]([NH2+]CCC[C@@H](C)CO)[C@@H]1CCC[NH2+]1 ZINC000423012795 387835819 /nfs/dbraw/zinc/83/58/19/387835819.db2.gz LKZZENXQXZXWFH-UPJWGTAASA-N 2 0 228.380 1.515 20 0 BDADRP C[C@H]([NH2+][C@H]1CCO[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000423015340 387837905 /nfs/dbraw/zinc/83/79/05/387837905.db2.gz KKJDASUSAHUVBU-NOOOWODRSA-N 2 0 212.337 1.284 20 0 BDADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423015357 387838325 /nfs/dbraw/zinc/83/83/25/387838325.db2.gz KMSXIKURVNJKTD-UMSGYPCISA-N 2 0 226.364 1.532 20 0 BDADRP CO[C@H]1CCC[C@H]1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000423015155 387838722 /nfs/dbraw/zinc/83/87/22/387838722.db2.gz KAHQIOKSAFWXJA-YIOUJQMASA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000423032675 387848484 /nfs/dbraw/zinc/84/84/84/387848484.db2.gz MYQJUZHBYVZMLA-SYQHCUMBSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H](N[C@H]1CCC[N@H+](C)[C@@H]1C)[C@H]1CCC[NH2+]1 ZINC000423032731 387849656 /nfs/dbraw/zinc/84/96/56/387849656.db2.gz NBGCKNMQVKTMKI-LOWDOPEQSA-N 2 0 225.380 1.199 20 0 BDADRP CC(C)OCCCC[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423036253 387851113 /nfs/dbraw/zinc/85/11/13/387851113.db2.gz SVHBYSDHGSQYBQ-VXGBXAGGSA-N 2 0 216.369 1.907 20 0 BDADRP C[C@H]1[C@H]([NH2+]C2CCC(C[NH3+])CC2)CCCN1C ZINC000423037691 387851225 /nfs/dbraw/zinc/85/12/25/387851225.db2.gz WQEGRJGSJRHQGX-GFJIZPEISA-N 3 0 239.407 1.576 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000423034957 387851581 /nfs/dbraw/zinc/85/15/81/387851581.db2.gz QXKCFUYWCPCEJD-KBPBESRZSA-N 3 0 241.423 1.968 20 0 BDADRP CCC(CC)(C[NH2+][C@H](C)C1C[NH2+]C1)C(=O)OC ZINC000423034877 387851853 /nfs/dbraw/zinc/85/18/53/387851853.db2.gz IRJWAGMBGJPJJI-SNVBAGLBSA-N 2 0 242.363 1.163 20 0 BDADRP CCC(CC)(C[NH2+][C@@H](C)CCC[NH3+])C(=O)OC ZINC000423040764 387853774 /nfs/dbraw/zinc/85/37/74/387853774.db2.gz VCOURVSOWRYOBH-NSHDSACASA-N 2 0 244.379 1.683 20 0 BDADRP CCn1cc([C@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)cn1 ZINC000643534807 387860638 /nfs/dbraw/zinc/86/06/38/387860638.db2.gz DALJZUOOVJFSEC-WCQYABFASA-N 2 0 248.374 1.696 20 0 BDADRP CC(C)O[C@@H]1C[C@@H]([NH2+]C2CC[NH2+]CC2)C1(C)C ZINC000423053971 387862795 /nfs/dbraw/zinc/86/27/95/387862795.db2.gz TZCVTJZCWPPDLH-CHWSQXEVSA-N 2 0 240.391 1.920 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@H]1CCO)[C@H]1CCCC[NH2+]1 ZINC000423060343 387864436 /nfs/dbraw/zinc/86/44/36/387864436.db2.gz HVOLBTJFLHMPTI-FQUUOJAGSA-N 2 0 240.391 1.658 20 0 BDADRP Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000423059724 387865412 /nfs/dbraw/zinc/86/54/12/387865412.db2.gz MUVLMFNENZJKOA-QLFBSQMISA-N 2 0 248.370 1.368 20 0 BDADRP CCOC1CC(CC[NH2+][C@H]2CCC[C@@H]2[NH3+])C1 ZINC000423064723 387867850 /nfs/dbraw/zinc/86/78/50/387867850.db2.gz AGASCKGRQFYOEF-TYUFSLCMSA-N 2 0 226.364 1.661 20 0 BDADRP CO[C@@H]1CC[C@@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000423067670 387870295 /nfs/dbraw/zinc/87/02/95/387870295.db2.gz HUFIMZOVQFYRRT-DDHJBXDOSA-N 2 0 212.337 1.284 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000423070837 387871370 /nfs/dbraw/zinc/87/13/70/387871370.db2.gz DPEJVEBMGBJGEA-MJBXVCDLSA-N 2 0 237.391 1.473 20 0 BDADRP CC(C)[C@H](C[NH3+])C(=O)Nc1ccc(C[NH3+])cc1 ZINC000433143743 387872078 /nfs/dbraw/zinc/87/20/78/387872078.db2.gz IPQZHTRHYZQYRA-LBPRGKRZSA-N 2 0 235.331 1.315 20 0 BDADRP COc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)cn1 ZINC000422964040 387814189 /nfs/dbraw/zinc/81/41/89/387814189.db2.gz KHQZDZCLZYZCTM-AAEUAGOBSA-N 2 0 249.358 1.568 20 0 BDADRP CC[C@H](CN[C@@H]1CCC[C@H]1C[NH3+])[NH+]1CCCC1 ZINC000422962515 387814951 /nfs/dbraw/zinc/81/49/51/387814951.db2.gz FYWOADSPPDODMD-BFHYXJOUSA-N 2 0 239.407 1.578 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@H]1CCC[C@H]1[NH3+] ZINC000422965647 387815742 /nfs/dbraw/zinc/81/57/42/387815742.db2.gz PDJYUDRMNCQGOD-NEPJUHHUSA-N 2 0 213.369 1.186 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCCC(F)(F)F ZINC000422965969 387815760 /nfs/dbraw/zinc/81/57/60/387815760.db2.gz MKRUJKNYEMXBON-JGVFFNPUSA-N 2 0 210.243 1.798 20 0 BDADRP CC(C)[C@@H](CN[C@H](C)C[C@H](C)[NH3+])[NH+]1CCCC1 ZINC000422968106 387816256 /nfs/dbraw/zinc/81/62/56/387816256.db2.gz VPCQWIMVDFFNQW-BFHYXJOUSA-N 2 0 241.423 1.822 20 0 BDADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H](C)CO ZINC000422966451 387816547 /nfs/dbraw/zinc/81/65/47/387816547.db2.gz ACBVTKIODDVOTQ-OBJOEFQTSA-N 2 0 236.359 1.163 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCCC(F)(F)F ZINC000422965970 387816717 /nfs/dbraw/zinc/81/67/17/387816717.db2.gz MKRUJKNYEMXBON-SFYZADRCSA-N 2 0 210.243 1.798 20 0 BDADRP CC[C@H]([NH2+]CCC1(O)CCC1)[C@@H]1CCC[NH2+]1 ZINC000423102398 387889637 /nfs/dbraw/zinc/88/96/37/387889637.db2.gz KEZADEAZNFZIEP-RYUDHWBXSA-N 2 0 226.364 1.412 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCOC[C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000423105381 387890372 /nfs/dbraw/zinc/89/03/72/387890372.db2.gz IIWJBYHCRASBLV-SYQHCUMBSA-N 2 0 240.391 1.779 20 0 BDADRP CC1(C)SC[C@@H]1[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000423105069 387891434 /nfs/dbraw/zinc/89/14/34/387891434.db2.gz NAEBDRYPEFYRLX-VGMNWLOBSA-N 2 0 200.351 1.350 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCOC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423109694 387894015 /nfs/dbraw/zinc/89/40/15/387894015.db2.gz NZXIYQRIBCLMJB-NDBYEHHHSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCOC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000423109687 387894296 /nfs/dbraw/zinc/89/42/96/387894296.db2.gz NZXIYQRIBCLMJB-FDYHWXHSSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000423113629 387895581 /nfs/dbraw/zinc/89/55/81/387895581.db2.gz URNFAPIBRUOPJP-SYQHCUMBSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@](CO)(C[NH2+]C1CC[NH2+]CC1)c1ccccc1 ZINC000423112268 387895786 /nfs/dbraw/zinc/89/57/86/387895786.db2.gz RXHUMJOGGZSZJT-HNNXBMFYSA-N 2 0 248.370 1.278 20 0 BDADRP CCC[N@@H+]1CCC[C@H]1CN[C@H](C)C[C@@H](C)[NH3+] ZINC000423114947 387895811 /nfs/dbraw/zinc/89/58/11/387895811.db2.gz WMGOGYDSDDOZRI-UPJWGTAASA-N 2 0 227.396 1.576 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CSC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000423114496 387896437 /nfs/dbraw/zinc/89/64/37/387896437.db2.gz VYXGLHMQLKNAIT-GWOFURMSSA-N 2 0 214.378 1.468 20 0 BDADRP CCOC[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)C(C)C ZINC000423074064 387875125 /nfs/dbraw/zinc/87/51/25/387875125.db2.gz TVGSSFQMPUAVRL-ZYHUDNBSSA-N 2 0 214.353 1.245 20 0 BDADRP C[C@@H](C[NH2+][C@@H]1CCC[NH2+]CC1)c1ccncc1 ZINC000643460219 387875364 /nfs/dbraw/zinc/87/53/64/387875364.db2.gz CLRAPLOSYCZCHK-GXTWGEPZSA-N 2 0 233.359 1.917 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CC[C@@H](OC)C1)[C@@H]1CCC[NH2+]1 ZINC000423076029 387876329 /nfs/dbraw/zinc/87/63/29/387876329.db2.gz YFZXWQYZHXFFNM-NDBYEHHHSA-N 2 0 226.364 1.674 20 0 BDADRP CC(C)[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)C(C)(C)O ZINC000423083132 387878296 /nfs/dbraw/zinc/87/82/96/387878296.db2.gz YIKPYRHNFFROCH-SRVKXCTJSA-N 2 0 228.380 1.512 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1CCSC1)[C@@H]1CCC[NH2+]1 ZINC000423084807 387878360 /nfs/dbraw/zinc/87/83/60/387878360.db2.gz IZCZVYVLYZQVSZ-WOPDTQHZSA-N 2 0 228.405 1.860 20 0 BDADRP C[C@H]1CN(C)C[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424174875 387878677 /nfs/dbraw/zinc/87/86/77/387878677.db2.gz PPEPJTCKMORIJH-DOERSZECSA-N 2 0 222.376 1.962 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@H]1CCCCC[C@H]1[NH3+] ZINC000423082935 387879572 /nfs/dbraw/zinc/87/95/72/387879572.db2.gz FHGUHLBZIBCYAX-MCIONIFRSA-N 2 0 241.423 1.966 20 0 BDADRP CC[C@@H]([NH2+]CCCCCO)[C@@H]1CCC[NH2+]1 ZINC000423088740 387881283 /nfs/dbraw/zinc/88/12/83/387881283.db2.gz SODSPUYXJHXACE-NEPJUHHUSA-N 2 0 214.353 1.269 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@H]1C[NH2+]CC[C@@H]1C ZINC000423090318 387881998 /nfs/dbraw/zinc/88/19/98/387881998.db2.gz XIYQQXJHFILXHM-XQQFMLRXSA-N 2 0 227.396 1.304 20 0 BDADRP CCC[C@H](CCO)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000152413567 387882984 /nfs/dbraw/zinc/88/29/84/387882984.db2.gz XYJXZINTUUSKSR-MGPQQGTHSA-N 2 0 242.407 1.857 20 0 BDADRP Cc1csc(CC[NH2+][C@H](C)C[C@H](C)[NH3+])n1 ZINC000643460674 387885763 /nfs/dbraw/zinc/88/57/63/387885763.db2.gz CLQXORAIXOIFIK-DTWKUNHWSA-N 2 0 227.377 1.709 20 0 BDADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)CCC[NH3+])C1 ZINC000423096486 387886087 /nfs/dbraw/zinc/88/60/87/387886087.db2.gz PAKIGBUNBZUMHR-UTUOFQBUSA-N 2 0 242.363 1.435 20 0 BDADRP OC1CCC([NH2+]CCN2CCCCCC2)CC1 ZINC000236467211 387887369 /nfs/dbraw/zinc/88/73/69/387887369.db2.gz YHHIVABRTRWROH-UHFFFAOYSA-N 2 0 240.391 1.756 20 0 BDADRP CCC[N@H+](CC)C[C@@H](C)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000423141907 387919144 /nfs/dbraw/zinc/91/91/44/387919144.db2.gz SJBCBHYYYCUREI-HZSPNIEDSA-N 2 0 241.423 1.824 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)NCC[N@H+](CC)C(C)C ZINC000236795927 387904094 /nfs/dbraw/zinc/90/40/94/387904094.db2.gz YCKXNXADMVXWGX-LBPRGKRZSA-N 2 0 243.395 1.350 20 0 BDADRP CCc1noc(C)c1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000423129498 387907052 /nfs/dbraw/zinc/90/70/52/387907052.db2.gz FCIQETFRGCCZDZ-ZWNOBZJWSA-N 2 0 237.347 1.762 20 0 BDADRP CCCC[N@H+](C)C[C@H](C)N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423129423 387907371 /nfs/dbraw/zinc/90/73/71/387907371.db2.gz XAHBDMJPFGQXQI-IHRRRGAJSA-N 2 0 241.423 1.837 20 0 BDADRP CCCC[N@H+](C)C[C@H](C)N[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423129427 387907557 /nfs/dbraw/zinc/90/75/57/387907557.db2.gz XAHBDMJPFGQXQI-MELADBBJSA-N 2 0 241.423 1.837 20 0 BDADRP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1cc[nH]c(=O)c1 ZINC000423129539 387907749 /nfs/dbraw/zinc/90/77/49/387907749.db2.gz FFKPFOJWLQKTSU-ZBOXLXRLSA-N 2 0 249.358 1.955 20 0 BDADRP CCCC[N@H+](C)C[C@@H](C)N[C@H](C)C[C@@H](C)[NH3+] ZINC000423130710 387907878 /nfs/dbraw/zinc/90/78/78/387907878.db2.gz YRSJHVGCJQBQLX-JHJVBQTASA-N 2 0 229.412 1.822 20 0 BDADRP C(CCN[C@H]1CC[NH2+]C1)CC[NH+]1CCCC1 ZINC000423132567 387909348 /nfs/dbraw/zinc/90/93/48/387909348.db2.gz JHSWYEIGOMSGAW-ZDUSSCGKSA-N 2 0 225.380 1.204 20 0 BDADRP CCC[N@H+](CC)C[C@@H](C)N[C@H](C)[C@H]1CCC[NH2+]1 ZINC000423133164 387909494 /nfs/dbraw/zinc/90/94/94/387909494.db2.gz CHAZPGBTAQKELW-MGPQQGTHSA-N 2 0 241.423 1.837 20 0 BDADRP C(CCN[C@@H]1CC[NH2+]C1)CC[NH+]1CCCC1 ZINC000423132566 387909882 /nfs/dbraw/zinc/90/98/82/387909882.db2.gz JHSWYEIGOMSGAW-CYBMUJFWSA-N 2 0 225.380 1.204 20 0 BDADRP C[C@@H]([NH2+]C[C@@H](CO)C1CCCCC1)C1C[NH2+]C1 ZINC000423132419 387910444 /nfs/dbraw/zinc/91/04/44/387910444.db2.gz JGCMRKKTONZDIZ-RISCZKNCSA-N 2 0 240.391 1.373 20 0 BDADRP CC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])C(C)(C)O ZINC000423134939 387911471 /nfs/dbraw/zinc/91/14/71/387911471.db2.gz NAPADMYUFSNOOO-BBBLOLIVSA-N 2 0 202.342 1.251 20 0 BDADRP CC[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)OC ZINC000423133825 387912396 /nfs/dbraw/zinc/91/23/96/387912396.db2.gz DDAXNKAQAWMBJM-QJPTWQEYSA-N 2 0 214.353 1.389 20 0 BDADRP COc1ncccc1CC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000423139030 387916976 /nfs/dbraw/zinc/91/69/76/387916976.db2.gz JZWXPBDPEXRWAH-MNOVXSKESA-N 2 0 237.347 1.348 20 0 BDADRP COc1nccc(C[NH2+][C@@H](C)CCCC[NH3+])n1 ZINC000423151078 387929463 /nfs/dbraw/zinc/92/94/63/387929463.db2.gz ZTJYFMGIXNNXNG-JTQLQIEISA-N 2 0 238.335 1.092 20 0 BDADRP Cc1cccnc1CC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000423151324 387930673 /nfs/dbraw/zinc/93/06/73/387930673.db2.gz JUXFHOYPGMTSTR-ZIAGYGMSSA-N 2 0 247.386 1.910 20 0 BDADRP Cc1cc(C[NH2+]C2CCC(C[NH3+])CC2)ccn1 ZINC000423154759 387934284 /nfs/dbraw/zinc/93/42/84/387934284.db2.gz IFWAGIZIBXXSIT-UHFFFAOYSA-N 2 0 233.359 1.997 20 0 BDADRP C[C@H](CCO)CC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000423142920 387921445 /nfs/dbraw/zinc/92/14/45/387921445.db2.gz BQERAFJCXLMNNF-YNEHKIRRSA-N 2 0 228.380 1.645 20 0 BDADRP C[C@@H]([NH2+]C[C@@H](CO)C1CC1)[C@H]1CCCC[NH2+]1 ZINC000423142769 387921499 /nfs/dbraw/zinc/92/14/99/387921499.db2.gz VWJLEPXZGXRVHP-KGYLQXTDSA-N 2 0 226.364 1.125 20 0 BDADRP Cc1ccncc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423146323 387922482 /nfs/dbraw/zinc/92/24/82/387922482.db2.gz ACEUBAZJHWPUEZ-QWRGUYRKSA-N 2 0 207.321 1.605 20 0 BDADRP CC(F)(F)CCC[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000423145976 387922624 /nfs/dbraw/zinc/92/26/24/387922624.db2.gz NHQGWVDHWAXHRX-DTWKUNHWSA-N 2 0 206.280 1.891 20 0 BDADRP C[N@H+](CCCC[NH2+][C@@H]1CCC[C@H]1C[NH3+])C1CC1 ZINC000423163833 387923156 /nfs/dbraw/zinc/92/31/56/387923156.db2.gz NPAMZXZWMOLLCO-GXTWGEPZSA-N 3 0 239.407 1.578 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000423157621 387937056 /nfs/dbraw/zinc/93/70/56/387937056.db2.gz BHGFTUDYXOHAKT-WYUUTHIRSA-N 2 0 212.337 1.271 20 0 BDADRP COC[C@](C)(O)CC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000423147948 387924336 /nfs/dbraw/zinc/92/43/36/387924336.db2.gz UCWWMTAPCFJLDG-RWMBFGLXSA-N 2 0 244.379 1.024 20 0 BDADRP Cc1cccnc1CC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000423146861 387925290 /nfs/dbraw/zinc/92/52/90/387925290.db2.gz BJVWHPPRDFEUMF-NEPJUHHUSA-N 2 0 221.348 1.648 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)CCCCO)[C@H]1CCCC[NH2+]1 ZINC000423149247 387927080 /nfs/dbraw/zinc/92/70/80/387927080.db2.gz AENNAGVZJURPFX-YNEHKIRRSA-N 2 0 228.380 1.658 20 0 BDADRP C[C@@H](CCO)CC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423148597 387927234 /nfs/dbraw/zinc/92/72/34/387927234.db2.gz WBZVPNXYIDESPT-JHJVBQTASA-N 2 0 228.380 1.515 20 0 BDADRP F[C@H]1CCC[C@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000423148809 387928457 /nfs/dbraw/zinc/92/84/57/387928457.db2.gz WOIGKHNCAVFNGL-GARJFASQSA-N 2 0 200.301 1.609 20 0 BDADRP C[C@@H](CCO)CC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423148596 387928536 /nfs/dbraw/zinc/92/85/36/387928536.db2.gz WBZVPNXYIDESPT-FRRDWIJNSA-N 2 0 228.380 1.515 20 0 BDADRP CC[C@@H]([NH2+]CCC[C@H]1CCOC1)[C@@H]1CCC[NH2+]1 ZINC000423151438 387929028 /nfs/dbraw/zinc/92/90/28/387929028.db2.gz DEWWFGUAVIAPQU-MJBXVCDLSA-N 2 0 240.391 1.923 20 0 BDADRP COc1cccc2c1C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)C2 ZINC000423167421 387952347 /nfs/dbraw/zinc/95/23/47/387952347.db2.gz FDDPIVZZRDWGQE-GWCFXTLKSA-N 2 0 246.354 1.360 20 0 BDADRP Cc1occc1C[NH2+]CCOCC[NH+](C)C ZINC000321178703 387956208 /nfs/dbraw/zinc/95/62/08/387956208.db2.gz DMVLQSKYPSGMTK-UHFFFAOYSA-N 2 0 226.320 1.256 20 0 BDADRP Cc1ccc(CC[NH2+][C@H]2CCC[C@@H]2[NH3+])nc1 ZINC000423158827 387939251 /nfs/dbraw/zinc/93/92/51/387939251.db2.gz DNMXTBLACVNNDO-STQMWFEESA-N 2 0 219.332 1.402 20 0 BDADRP C[C@H]([NH2+]CCOCC1CCCC1)C1C[NH2+]C1 ZINC000423159826 387940587 /nfs/dbraw/zinc/94/05/87/387940587.db2.gz GQJVTRNKUYNOSU-NSHDSACASA-N 2 0 226.364 1.391 20 0 BDADRP CC[C@@H]([NH2+]C[C@@H]1CCC[C@H]1O)[C@@H]1CCC[NH2+]1 ZINC000423161324 387944490 /nfs/dbraw/zinc/94/44/90/387944490.db2.gz IYIKNKUVERORLK-QNWHQSFQSA-N 2 0 226.364 1.268 20 0 BDADRP COC[C@H](C)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000245431103 387945137 /nfs/dbraw/zinc/94/51/37/387945137.db2.gz AMMUAVZBYRLIKI-UONOGXRCSA-N 2 0 240.391 1.972 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCN1CC=CCC1 ZINC000392241312 387946126 /nfs/dbraw/zinc/94/61/26/387946126.db2.gz KLSKHFSDKFFDCE-KBPBESRZSA-N 2 0 237.391 1.355 20 0 BDADRP CO[C@@H]([C@H](C)[NH2+][C@H](C)C[C@H](C)[NH3+])C1CC1 ZINC000423163947 387946437 /nfs/dbraw/zinc/94/64/37/387946437.db2.gz RVZPCVWZTHHEBS-WYFGTUCQSA-N 2 0 214.353 1.515 20 0 BDADRP CC[C@H]([NH2+]CC1(CC)COC1)[C@@H]1CCC[NH2+]1 ZINC000423164217 387946906 /nfs/dbraw/zinc/94/69/06/387946906.db2.gz SJEQNFCGQJUEGY-RYUDHWBXSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H](CCCO)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423165998 387949381 /nfs/dbraw/zinc/94/93/81/387949381.db2.gz YSWSZXKZAQTCKQ-AVGNSLFASA-N 2 0 228.380 1.515 20 0 BDADRP COCC1(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)CCCC1 ZINC000423166241 387950966 /nfs/dbraw/zinc/95/09/66/387950966.db2.gz RBCCVXNXBXNZLW-STQMWFEESA-N 2 0 240.391 1.923 20 0 BDADRP CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)CCCC[NH3+] ZINC000423172241 387958848 /nfs/dbraw/zinc/95/88/48/387958848.db2.gz RXMRFAOIAMRXIS-UTUOFQBUSA-N 2 0 214.353 1.661 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+][C@H](C)CCC[NH3+])C12CCC2 ZINC000423171623 387959754 /nfs/dbraw/zinc/95/97/54/387959754.db2.gz PFTHLSSDXWMAGT-GRYCIOLGSA-N 2 0 226.364 1.661 20 0 BDADRP COCC[C@@H](C)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000423171945 387959809 /nfs/dbraw/zinc/95/98/09/387959809.db2.gz QOUZSYQCTLCITN-NEPJUHHUSA-N 2 0 216.369 1.766 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)[C@H](C)O1 ZINC000423178253 387963394 /nfs/dbraw/zinc/96/33/94/387963394.db2.gz IFODFJFSKHUZAQ-RKQHYHRCSA-N 2 0 240.391 1.778 20 0 BDADRP CC[C@H]([NH2+]CCCN1CC[NH2+]CC1)C(C)C ZINC000423177252 387964498 /nfs/dbraw/zinc/96/44/98/387964498.db2.gz IRSXQONKHKTLIO-ZDUSSCGKSA-N 2 0 227.396 1.306 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH+]1C)C[C@H]1CCCOC1 ZINC000245624861 387967160 /nfs/dbraw/zinc/96/71/60/387967160.db2.gz OQRWKVHAZRFHTH-KGLIPLIRSA-N 2 0 240.391 1.829 20 0 BDADRP CC[C@H]([NH2+]CCCN1CC[NH2+]CC1)[C@H]1C[C@H]1C ZINC000423185838 387970216 /nfs/dbraw/zinc/97/02/16/387970216.db2.gz NRFAVJAPJUNEQW-RDBSUJKOSA-N 2 0 239.407 1.306 20 0 BDADRP Cc1cccc2c1CC[C@@H]2[NH2+]CCC[NH3+] ZINC000423186749 387970692 /nfs/dbraw/zinc/97/06/92/387970692.db2.gz XDNQGOFOUPFQOT-ZDUSSCGKSA-N 2 0 204.317 1.921 20 0 BDADRP COCC[C@@H](C)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423171409 387957405 /nfs/dbraw/zinc/95/74/05/387957405.db2.gz OITYWNWIDJJVBT-UPJWGTAASA-N 2 0 228.380 1.779 20 0 BDADRP CC(=O)Nc1ccc([C@H](C)[NH2+]CCC[NH3+])cc1 ZINC000423194831 387980301 /nfs/dbraw/zinc/98/03/01/387980301.db2.gz RTPZOTGKAZRBKG-JTQLQIEISA-N 2 0 235.331 1.644 20 0 BDADRP COc1cccc(C[C@@H]([NH2+]CCC[NH3+])C2CC2)c1 ZINC000423189137 387973877 /nfs/dbraw/zinc/97/38/77/387973877.db2.gz MLUVLNRLGLMTGG-OAHLLOKOSA-N 2 0 248.370 1.955 20 0 BDADRP C[C@@H]([NH2+]CCC[NH3+])c1ccccc1-n1ccnn1 ZINC000423191146 387975922 /nfs/dbraw/zinc/97/59/22/387975922.db2.gz OLOBUCRRGHGXSH-LLVKDONJSA-N 2 0 245.330 1.267 20 0 BDADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC[NH3+])CC1 ZINC000423192869 387977593 /nfs/dbraw/zinc/97/75/93/387977593.db2.gz VFKBZCANNGURPB-OCCSQVGLSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCC[NH3+])CC1 ZINC000423192868 387977665 /nfs/dbraw/zinc/97/76/65/387977665.db2.gz VFKBZCANNGURPB-JSGCOSHPSA-N 2 0 239.407 1.578 20 0 BDADRP C[N@H+](CC[C@H]1CCC[NH+]1C)[C@H]1CC[C@H](O)CC1 ZINC000439281024 387989879 /nfs/dbraw/zinc/98/98/79/387989879.db2.gz FQIMIEKUKJYIIQ-MGPQQGTHSA-N 2 0 240.391 1.706 20 0 BDADRP CC[C@@H]([NH2+]CCC[NH2+]C)c1ccncc1 ZINC000423206484 387991526 /nfs/dbraw/zinc/99/15/26/387991526.db2.gz XCMMBYHTFUGKNG-GFCCVEGCSA-N 2 0 207.321 1.732 20 0 BDADRP [NH3+]CCC[NH2+][C@@H]1CSCCc2ccccc21 ZINC000423197530 387983427 /nfs/dbraw/zinc/98/34/27/387983427.db2.gz ZTTWYGYUEULCQU-CYBMUJFWSA-N 2 0 236.384 1.955 20 0 BDADRP CCCC[C@@H](C)[C@H](C)[NH2+]CCN1CC[NH2+]CC1 ZINC000423199212 387985922 /nfs/dbraw/zinc/98/59/22/387985922.db2.gz AULOAGZZBTVUTR-KGLIPLIRSA-N 2 0 241.423 1.696 20 0 BDADRP C[NH2+]CCC[NH2+][C@H](c1cccnc1)C(C)C ZINC000423201899 387987094 /nfs/dbraw/zinc/98/70/94/387987094.db2.gz QGCDVSVOFPDKIJ-ZDUSSCGKSA-N 2 0 221.348 1.978 20 0 BDADRP COCCCCC[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420406772 387999335 /nfs/dbraw/zinc/99/93/35/387999335.db2.gz NZAONISLAMLHRK-QWHCGFSZSA-N 2 0 228.380 1.720 20 0 BDADRP C[C@H]([NH3+])C[NH2+][C@@H](C)[C@H]1COc2ccccc21 ZINC000420401888 387999475 /nfs/dbraw/zinc/99/94/75/387999475.db2.gz JRIPUHHMPWYXPX-JBLDHEPKSA-N 2 0 220.316 1.488 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C1CCOCC1 ZINC000424374427 387999794 /nfs/dbraw/zinc/99/97/94/387999794.db2.gz LAIGQFSNGNHONE-RAIGVLPGSA-N 2 0 226.364 1.661 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCOCC1 ZINC000424371401 387996680 /nfs/dbraw/zinc/99/66/80/387996680.db2.gz UWPWUGFNTOEAJE-IJLUTSLNSA-N 2 0 212.337 1.415 20 0 BDADRP C[C@H](NC[C@@H]([NH3+])c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423241591 388025024 /nfs/dbraw/zinc/02/50/24/388025024.db2.gz DHXWAKYHQVPOKZ-YUTCNCBUSA-N 2 0 233.359 1.417 20 0 BDADRP C[C@@H](Cc1ccoc1)[NH2+]CCOCC[NH+](C)C ZINC000453209937 388012010 /nfs/dbraw/zinc/01/20/10/388012010.db2.gz CPPXTONMQRKSOR-LBPRGKRZSA-N 2 0 240.347 1.378 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCS2)CC[N@@H+]1C ZINC000156634696 388012458 /nfs/dbraw/zinc/01/24/58/388012458.db2.gz UKZGSURRWGIAJM-UTUOFQBUSA-N 2 0 228.405 1.954 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](COC)C1CCCC1 ZINC000423269936 388025957 /nfs/dbraw/zinc/02/59/57/388025957.db2.gz HKALGWFXLHNUSM-AAEUAGOBSA-N 2 0 228.380 1.637 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](COC)C1CCCC1 ZINC000423269939 388025966 /nfs/dbraw/zinc/02/59/66/388025966.db2.gz HKALGWFXLHNUSM-YPMHNXCESA-N 2 0 228.380 1.637 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cccc(CO)c1 ZINC000423250693 388033177 /nfs/dbraw/zinc/03/31/77/388033177.db2.gz QVAUHHARIFHIJK-STQMWFEESA-N 2 0 248.370 1.829 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](N)c1ccccc1 ZINC000423254164 388035105 /nfs/dbraw/zinc/03/51/05/388035105.db2.gz XIUMDQIRFFUDMU-OCCSQVGLSA-N 2 0 235.375 1.794 20 0 BDADRP CCOC[C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423254653 388036625 /nfs/dbraw/zinc/03/66/25/388036625.db2.gz ZAFWRWBCXRQASJ-MELADBBJSA-N 2 0 240.391 1.781 20 0 BDADRP CC(C)C[C@@H](C[NH3+])N[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423258612 388038197 /nfs/dbraw/zinc/03/81/97/388038197.db2.gz CCOILPDVXYPRCN-SDDRHHMPSA-N 2 0 213.369 1.090 20 0 BDADRP C[C@@H](N[C@H](C[NH3+])C1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000423258630 388039238 /nfs/dbraw/zinc/03/92/38/388039238.db2.gz CDWPYUOJIKYDTQ-KWCYVHTRSA-N 2 0 239.407 1.624 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1cnn(C)c1 ZINC000423257151 388039370 /nfs/dbraw/zinc/03/93/70/388039370.db2.gz HTTJJGNGZNGZBS-VXGBXAGGSA-N 2 0 236.363 1.460 20 0 BDADRP CC[N@H+]1C[C@H](N[C@H](C[NH3+])CC(C)C)[C@@H](C)C1 ZINC000423265355 388044571 /nfs/dbraw/zinc/04/45/71/388044571.db2.gz QVGYGPYEOYFBRB-AVGNSLFASA-N 2 0 227.396 1.290 20 0 BDADRP CC(C)C[C@H](C[NH3+])N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000423262885 388041158 /nfs/dbraw/zinc/04/11/58/388041158.db2.gz NPWWXQQTTWOGQB-MCIONIFRSA-N 2 0 239.407 1.576 20 0 BDADRP CC(C)C[C@H](C[NH3+])N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000423263999 388041628 /nfs/dbraw/zinc/04/16/28/388041628.db2.gz PJYQIRWXMBJKRS-JHJVBQTASA-N 2 0 239.407 1.575 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1[C@H](C)[C@@H](OC)C1(C)C ZINC000423266173 388043736 /nfs/dbraw/zinc/04/37/36/388043736.db2.gz CYJIOESYAFTMEY-NNYUYHANSA-N 2 0 228.380 1.491 20 0 BDADRP CC[N@@H+]1C[C@H](C)[C@H](NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000423245358 388028123 /nfs/dbraw/zinc/02/81/23/388028123.db2.gz OSLZHGKEZYIUIM-NWANDNLSSA-N 2 0 247.386 1.616 20 0 BDADRP C[C@H](NC[C@@H]([NH3+])c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000423244548 388028679 /nfs/dbraw/zinc/02/86/79/388028679.db2.gz HRSQNVZJZVXTPU-NWANDNLSSA-N 2 0 247.386 1.807 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)C1CCSCC1 ZINC000423246342 388029792 /nfs/dbraw/zinc/02/97/92/388029792.db2.gz ZENHJMQWNAJABX-JQWIXIFHSA-N 2 0 228.405 1.860 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423272304 388050920 /nfs/dbraw/zinc/05/09/20/388050920.db2.gz JUOMCJIJPVSXPK-AGIUHOORSA-N 3 0 225.380 1.106 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)[C@H]1CCCC[NH2+]1 ZINC000423275214 388056557 /nfs/dbraw/zinc/05/65/57/388056557.db2.gz MXMAMTUOJHTFFA-HZSPNIEDSA-N 3 0 239.407 1.496 20 0 BDADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000423277766 388058303 /nfs/dbraw/zinc/05/83/03/388058303.db2.gz OPQDISZMBOAQHR-IGQOVBAYSA-N 2 0 239.407 1.434 20 0 BDADRP CC[C@H]([NH2+]CC(C)(C)[NH3+])C1(C(=O)OC)CCC1 ZINC000423281478 388063533 /nfs/dbraw/zinc/06/35/33/388063533.db2.gz BJVAUIUXBIIEED-JTQLQIEISA-N 2 0 242.363 1.435 20 0 BDADRP C[NH2+]C[C@H](C)CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000423285404 388069102 /nfs/dbraw/zinc/06/91/02/388069102.db2.gz ZMTSQMIMEBELPP-FQUUOJAGSA-N 2 0 239.407 1.304 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000423284822 388069786 /nfs/dbraw/zinc/06/97/86/388069786.db2.gz YQGOBICJZMKQDW-GMXVVIOVSA-N 2 0 225.380 1.185 20 0 BDADRP CCC([NH3+])(CC)C[NH2+][C@@H](C)CCCOC ZINC000423286439 388070408 /nfs/dbraw/zinc/07/04/08/388070408.db2.gz HHLVOPSZEKZNOM-NSHDSACASA-N 2 0 216.369 1.909 20 0 BDADRP CCC([NH3+])(CC)CN[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000423286510 388071491 /nfs/dbraw/zinc/07/14/91/388071491.db2.gz HSDDCLGMABBFFB-VXGBXAGGSA-N 2 0 239.407 1.719 20 0 BDADRP CCOC(=O)[C@@H](CC)[NH+]1CCC(C[NH2+]C)CC1 ZINC000084105388 388072503 /nfs/dbraw/zinc/07/25/03/388072503.db2.gz ZZIWXDRXFZNHRY-GFCCVEGCSA-N 2 0 242.363 1.260 20 0 BDADRP CCN1C[C@H]([NH2+]CCc2cnc(C)cn2)[C@@H](C)C1 ZINC000453402739 388073235 /nfs/dbraw/zinc/07/32/35/388073235.db2.gz NPWCBPZUPHZVPJ-FZMZJTMJSA-N 2 0 248.374 1.257 20 0 BDADRP CC(C)OCCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000084215793 388073327 /nfs/dbraw/zinc/07/33/27/388073327.db2.gz OFTVTCAOYWIPSP-CHWSQXEVSA-N 2 0 228.380 1.909 20 0 BDADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)[NH3+] ZINC000423288827 388073532 /nfs/dbraw/zinc/07/35/32/388073532.db2.gz VGGRVOKBQRSJTF-QWRGUYRKSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@H]1OCC[C@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453406483 388074603 /nfs/dbraw/zinc/07/46/03/388074603.db2.gz RDCWABWWZCFEDZ-DGCLKSJQSA-N 2 0 226.364 1.628 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCOC1CCCC1 ZINC000084222065 388075593 /nfs/dbraw/zinc/07/55/93/388075593.db2.gz NIHQFJTZPGDDDD-DGCLKSJQSA-N 2 0 226.364 1.663 20 0 BDADRP C[C@@H]([NH3+])c1ccc(CN[C@@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000423293149 388075913 /nfs/dbraw/zinc/07/59/13/388075913.db2.gz PZHKECAGRXWNQK-XUJVJEKNSA-N 2 0 247.386 1.936 20 0 BDADRP CCC[NH2+]CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000423295477 388076974 /nfs/dbraw/zinc/07/69/74/388076974.db2.gz APZIECAJNBAJQV-OLZOCXBDSA-N 2 0 225.380 1.202 20 0 BDADRP CCC[NH2+]CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000423295479 388077285 /nfs/dbraw/zinc/07/72/85/388077285.db2.gz APZIECAJNBAJQV-STQMWFEESA-N 2 0 225.380 1.202 20 0 BDADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1cccnc1 ZINC000084384801 388078278 /nfs/dbraw/zinc/07/82/78/388078278.db2.gz SGFZKZTTYRNPHV-LBPRGKRZSA-N 2 0 219.332 1.513 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000423297638 388079232 /nfs/dbraw/zinc/07/92/32/388079232.db2.gz LCNLVUUUYVVLGM-OUCADQQQSA-N 2 0 239.407 1.576 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@H]1C[N@H+](CC)C[C@H]1C ZINC000423297957 388080096 /nfs/dbraw/zinc/08/00/96/388080096.db2.gz MNZTUHFRTUXDCD-UPJWGTAASA-N 2 0 227.396 1.434 20 0 BDADRP C[NH+](C)CC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000042396111 388092122 /nfs/dbraw/zinc/09/21/22/388092122.db2.gz HNFNMBFKUIHMKL-ZIAGYGMSSA-N 2 0 240.391 1.564 20 0 BDADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)[C@@H]1CCCC[NH2+]1 ZINC000333286311 388100838 /nfs/dbraw/zinc/10/08/38/388100838.db2.gz NKBQXYZOLQSCIT-XVSSEFHLSA-N 3 0 225.380 1.377 20 0 BDADRP CCC(O)(CC)C[NH2+][C@H](C)CCCC[NH3+] ZINC000336661370 388102029 /nfs/dbraw/zinc/10/20/29/388102029.db2.gz CBYRUROQSNFVGU-LLVKDONJSA-N 2 0 216.369 1.645 20 0 BDADRP CC(C)OCCC[NH2+][C@H](C)C[C@H]1CCC[NH2+]1 ZINC000086495176 388103948 /nfs/dbraw/zinc/10/39/48/388103948.db2.gz YKBLRDCPEFMJQT-CHWSQXEVSA-N 2 0 228.380 1.922 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@@H]1C[NH+](C)C[C@H]1C ZINC000336661605 388107072 /nfs/dbraw/zinc/10/70/72/388107072.db2.gz KCLCRAHUDNXKQB-CHWSQXEVSA-N 2 0 227.396 1.256 20 0 BDADRP [NH3+]CCCOC1CC[NH+](CC2CCC2)CC1 ZINC000086723788 388108104 /nfs/dbraw/zinc/10/81/04/388108104.db2.gz GKQUBPRRYBWRIR-UHFFFAOYSA-N 2 0 226.364 1.616 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423271198 388049954 /nfs/dbraw/zinc/04/99/54/388049954.db2.gz IRVFAHIPWQMOKB-CHWSQXEVSA-N 3 0 227.396 1.483 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](CN)C1CCCCC1 ZINC000423270826 388050238 /nfs/dbraw/zinc/05/02/38/388050238.db2.gz WZOLYKKRSKAWEX-AAEUAGOBSA-N 2 0 227.396 1.611 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)C1CCSCC1 ZINC000423271662 388050714 /nfs/dbraw/zinc/05/07/14/388050714.db2.gz JFDFSYAEZSSCOC-MNOVXSKESA-N 2 0 230.421 1.963 20 0 BDADRP CC[C@@H](CO)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000163989744 388120441 /nfs/dbraw/zinc/12/04/41/388120441.db2.gz DTQVZKCLGPXXKM-BIMULSAOSA-N 2 0 220.316 1.492 20 0 BDADRP C[C@@H](Cc1ccoc1)[NH2+]C[C@H]1CCCN1C ZINC000449105626 388142903 /nfs/dbraw/zinc/14/29/03/388142903.db2.gz ZJANLRXIQBDJSL-WCQYABFASA-N 2 0 222.332 1.894 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)C1 ZINC000449107283 388143518 /nfs/dbraw/zinc/14/35/18/388143518.db2.gz OWTWBERIVRUNLH-REWJHTLYSA-N 2 0 240.391 1.874 20 0 BDADRP CCC[NH2+][C@@H](C)C(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000449119597 388145485 /nfs/dbraw/zinc/14/54/85/388145485.db2.gz AFXQGVKSFAQVRL-AAEUAGOBSA-N 2 0 243.395 1.254 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCCN1CCCO)C1CC1 ZINC000449387915 388191107 /nfs/dbraw/zinc/19/11/07/388191107.db2.gz NMPLBVQCUIGHII-AAEUAGOBSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@H]1CCCC1(F)F ZINC000449490538 388218127 /nfs/dbraw/zinc/21/81/27/388218127.db2.gz CGCVSWHYFLIFAL-MXWKQRLJSA-N 2 0 232.318 1.962 20 0 BDADRP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@@H]1CCCC1(F)F ZINC000449490539 388218198 /nfs/dbraw/zinc/21/81/98/388218198.db2.gz CGCVSWHYFLIFAL-OUAUKWLOSA-N 2 0 232.318 1.962 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CCC2(CO)CC2)[C@@H](C)C1 ZINC000449580418 388237756 /nfs/dbraw/zinc/23/77/56/388237756.db2.gz QDZYOAYWARZGPI-STQMWFEESA-N 2 0 240.391 1.469 20 0 BDADRP CC[NH2+]CCCNC(=O)c1ccc2c[nH+]cn2c1 ZINC000572999654 388404586 /nfs/dbraw/zinc/40/45/86/388404586.db2.gz PVYPYGFWLGDAJY-UHFFFAOYSA-N 2 0 246.314 1.064 20 0 BDADRP C[C@H](C[NH3+])N[C@@H](C)c1ccc(F)cc1F ZINC000235459245 388369893 /nfs/dbraw/zinc/36/98/93/388369893.db2.gz PEUJBLOFGWPIDI-SFYZADRCSA-N 2 0 214.259 1.963 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)C2CCC2)C1 ZINC000316130078 388405444 /nfs/dbraw/zinc/40/54/44/388405444.db2.gz HLBLYIBARCHYNE-IJLUTSLNSA-N 2 0 212.337 1.007 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](CC2CCOCC2)C1 ZINC000235706825 388374283 /nfs/dbraw/zinc/37/42/83/388374283.db2.gz BUTUOUFYLRRNDR-GFCCVEGCSA-N 2 0 212.337 1.084 20 0 BDADRP CCCCCNC(=O)CN1CC[C@H]([NH3+])C[C@@H]1C ZINC000573016072 388406228 /nfs/dbraw/zinc/40/62/28/388406228.db2.gz GZRLRKWFRNWNIZ-RYUDHWBXSA-N 2 0 241.379 1.104 20 0 BDADRP C[NH2+]CCCC(=O)Nc1cccc(C[NH3+])c1 ZINC000646578813 388388283 /nfs/dbraw/zinc/38/82/83/388388283.db2.gz GFWDIFWXMCSYOQ-UHFFFAOYSA-N 2 0 221.304 1.083 20 0 BDADRP C[C@H]([NH3+])CCC(=O)Nc1cccc(C[NH3+])c1 ZINC000646578832 388388966 /nfs/dbraw/zinc/38/89/66/388388966.db2.gz GZLAPCAFTGBFBF-VIFPVBQESA-N 2 0 221.304 1.211 20 0 BDADRP [NH3+]Cc1cccc(NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)c1 ZINC000646578794 388389174 /nfs/dbraw/zinc/38/91/74/388389174.db2.gz FHQQZNXKGHEHHO-TZMCWYRMSA-N 2 0 245.326 1.083 20 0 BDADRP C[NH2+]C[C@H](C)CNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000237123499 388390083 /nfs/dbraw/zinc/39/00/83/388390083.db2.gz UCGHNQIYDJVCKQ-WCQYABFASA-N 2 0 249.358 1.048 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CO[C@H](C)C2)CC1 ZINC000335426466 388449868 /nfs/dbraw/zinc/44/98/68/388449868.db2.gz WGXTVWAALREZMZ-YPMHNXCESA-N 2 0 226.364 1.626 20 0 BDADRP COC[C@@H]([NH2+][C@H](C)CCC[NH3+])C(C)C ZINC000336688911 388462679 /nfs/dbraw/zinc/46/26/79/388462679.db2.gz NXYKAXWBQGAGET-GHMZBOCLSA-N 2 0 202.342 1.374 20 0 BDADRP CC[C@@H](C)C[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000336725393 388470061 /nfs/dbraw/zinc/47/00/61/388470061.db2.gz GKIVHMRGHFAHIT-ZJUUUORDSA-N 2 0 207.321 1.903 20 0 BDADRP C([NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)C12CCC(CC1)C2 ZINC000649253092 388470240 /nfs/dbraw/zinc/47/02/40/388470240.db2.gz HYCASZSEYRJFDZ-QPPOZKHWSA-N 2 0 220.360 1.718 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CCN1CCC[NH+]1CCCCC1 ZINC000575998884 388478535 /nfs/dbraw/zinc/47/85/35/388478535.db2.gz PTWUTWSNGQOZBN-KGLIPLIRSA-N 2 0 239.407 1.674 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@@H](O)C2CCC2)CC1 ZINC000316578114 388418700 /nfs/dbraw/zinc/41/87/00/388418700.db2.gz MTGWYRKXDIWGAX-CYBMUJFWSA-N 2 0 226.364 1.221 20 0 BDADRP COCCCCC[NH+]1CCC(CC[NH3+])CC1 ZINC000573126572 388421813 /nfs/dbraw/zinc/42/18/13/388421813.db2.gz VQLTVDLEEFHZLB-UHFFFAOYSA-N 2 0 228.380 1.864 20 0 BDADRP [NH3+]C1CCC([NH2+]C[C@H]2CCC[C@@H](CO)C2)CC1 ZINC000310299868 388479969 /nfs/dbraw/zinc/47/99/69/388479969.db2.gz PYLGABJXWPEPHX-MRFVTOPCSA-N 2 0 240.391 1.645 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000573220754 388434182 /nfs/dbraw/zinc/43/41/82/388434182.db2.gz LUEZOKOCZYDSBZ-FIQHERPVSA-N 2 0 214.353 1.253 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@H](C)[NH+](C)C)cc1 ZINC000649273290 388487704 /nfs/dbraw/zinc/48/77/04/388487704.db2.gz AQOMKTJUJYDFPE-ZJUUUORDSA-N 2 0 235.331 1.595 20 0 BDADRP C[C@H](F)CC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000340463455 388490925 /nfs/dbraw/zinc/49/09/25/388490925.db2.gz QMYPWEVSDIGQRO-OUAUKWLOSA-N 2 0 202.317 1.664 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]CCc2cnccn2)CC1 ZINC000341347682 388495569 /nfs/dbraw/zinc/49/55/69/388495569.db2.gz MKEMVYKSFQOCSY-UHFFFAOYSA-N 2 0 248.374 1.482 20 0 BDADRP C[C@H]([NH2+]CC1CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000400668781 256795426 /nfs/dbraw/zinc/79/54/26/256795426.db2.gz UBKUJKHUKNUUCS-JQWIXIFHSA-N 2 0 212.337 1.143 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]CC[C@H](C)CCO)CC1 ZINC000397785421 388498899 /nfs/dbraw/zinc/49/88/99/388498899.db2.gz QJJMWJKVAXNMIR-ZDUSSCGKSA-N 2 0 242.407 1.857 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000646797867 388510390 /nfs/dbraw/zinc/51/03/90/388510390.db2.gz AIHIUMIDBABFHM-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@@H]([NH2+]CC1(O)CCC1)C(C)(C)C[NH+](C)C ZINC000516645723 388512939 /nfs/dbraw/zinc/51/29/39/388512939.db2.gz NUNLEJUACZPYBV-LLVKDONJSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CS[C@H](C)C1 ZINC000398002445 388514807 /nfs/dbraw/zinc/51/48/07/388514807.db2.gz UBMIJBBVXZNDES-OPRDCNLKSA-N 2 0 202.367 1.597 20 0 BDADRP CC(C)C[C@H](CCO)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000520838200 256814965 /nfs/dbraw/zinc/81/49/65/256814965.db2.gz SWYVQKRQCYSHFQ-IHRRRGAJSA-N 2 0 242.407 1.891 20 0 BDADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccccn1 ZINC000346981993 388522047 /nfs/dbraw/zinc/52/20/47/388522047.db2.gz MBOFANROWGPQQE-GFCCVEGCSA-N 2 0 249.358 1.189 20 0 BDADRP C[NH+](C)CCC[NH2+][C@H]1CCOC1(C)C ZINC000328208113 388586673 /nfs/dbraw/zinc/58/66/73/388586673.db2.gz IVPFELKQNQFXBX-JTQLQIEISA-N 2 0 200.326 1.095 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](C[C@@H]2CCCC[C@H]2O)C1 ZINC000328158938 388558894 /nfs/dbraw/zinc/55/88/94/388558894.db2.gz GTPSXPFKWPUOHR-MELADBBJSA-N 2 0 240.391 1.598 20 0 BDADRP Cn1ccnc1[C@H]1CC[N@H+](CCCCF)C1 ZINC000521063330 388560965 /nfs/dbraw/zinc/56/09/65/388560965.db2.gz QIQCLBQEOHZRDW-NSHDSACASA-N 2 0 225.311 1.959 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])C(C)C ZINC000362976516 388563025 /nfs/dbraw/zinc/56/30/25/388563025.db2.gz KTBUXGCTHGMEDO-GRYCIOLGSA-N 2 0 214.353 1.374 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000548885426 388567809 /nfs/dbraw/zinc/56/78/09/388567809.db2.gz YFSNOUJMZSWSOG-BFHYXJOUSA-N 2 0 240.391 1.733 20 0 BDADRP c1nc2n(c1C[NH2+][C@@H]1CCOC1)CCCC2 ZINC000370261910 388570599 /nfs/dbraw/zinc/57/05/99/388570599.db2.gz ORNDPOUFWFYMDT-SNVBAGLBSA-N 2 0 221.304 1.098 20 0 BDADRP C[C@@H](NCC[C@H]1CCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC000517712901 256831984 /nfs/dbraw/zinc/83/19/84/256831984.db2.gz QEHOFGURYGXELK-FRRDWIJNSA-N 2 0 225.380 1.106 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]1C[C@@H](C)O ZINC000191815716 388670101 /nfs/dbraw/zinc/67/01/01/388670101.db2.gz WXRMCCXGSCPLEA-KGLIPLIRSA-N 2 0 242.407 1.954 20 0 BDADRP CC[NH+](CC)CCC[N@H+](C)CCCC(=O)NC ZINC000191815948 388670576 /nfs/dbraw/zinc/67/05/76/388670576.db2.gz ZDXXLUBCFIJPJP-UHFFFAOYSA-N 2 0 243.395 1.176 20 0 BDADRP CC[NH+](CC)CCC[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000191816603 388670880 /nfs/dbraw/zinc/67/08/80/388670880.db2.gz QPPZVSCGZFRGRE-KGLIPLIRSA-N 2 0 242.407 1.811 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCO2)[C@@H](C)C1 ZINC000248046622 388673465 /nfs/dbraw/zinc/67/34/65/388673465.db2.gz VEKWWMHJTALQDO-XQQFMLRXSA-N 2 0 226.364 1.485 20 0 BDADRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](C)OC)C1 ZINC000248418144 388678495 /nfs/dbraw/zinc/67/84/95/388678495.db2.gz KDEOJENJJJVKTD-QWHCGFSZSA-N 2 0 228.380 1.685 20 0 BDADRP CCN1CC[C@H]([NH2+][C@H](C)C[S@](C)=O)[C@H](C)C1 ZINC000248443739 388680566 /nfs/dbraw/zinc/68/05/66/388680566.db2.gz BFEYKUZOITUWDF-YMEQNVIZSA-N 2 0 246.420 1.073 20 0 BDADRP Cc1ccc(O)c(CN[C@H]2CC[NH2+]C23CCC3)n1 ZINC000530178390 388622023 /nfs/dbraw/zinc/62/20/23/388622023.db2.gz KWIQJCXLUDAQJT-ZDUSSCGKSA-N 2 0 247.342 1.470 20 0 BDADRP CCOCCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000086402141 388686696 /nfs/dbraw/zinc/68/66/96/388686696.db2.gz AQJRTGQIYDJXMZ-WDEREUQCSA-N 2 0 200.326 1.273 20 0 BDADRP Cc1cnccc1CN(C)C1CC[NH2+]CC1 ZINC000530214219 388629162 /nfs/dbraw/zinc/62/91/62/388629162.db2.gz YQLRBMQNPFSPMG-UHFFFAOYSA-N 2 0 219.332 1.574 20 0 BDADRP C[C@@H](N[C@@H]1CC[NH2+]C12CCC2)c1c[nH+]ccc1N ZINC000530215216 388629309 /nfs/dbraw/zinc/62/93/09/388629309.db2.gz FKCTXUFDGQYPSP-ZWNOBZJWSA-N 2 0 246.358 1.429 20 0 BDADRP CC1(C)CC(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)C1 ZINC000530222226 388632974 /nfs/dbraw/zinc/63/29/74/388632974.db2.gz GHAJWCHVNPYKOE-LBPRGKRZSA-N 2 0 226.364 1.472 20 0 BDADRP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000530227190 388635132 /nfs/dbraw/zinc/63/51/32/388635132.db2.gz VORLBKQRRTVZDV-SHSDRCNNSA-N 2 0 238.375 1.671 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000530226638 388635657 /nfs/dbraw/zinc/63/56/57/388635657.db2.gz SXNMLDXKVVEJHN-JCIQBVFBSA-N 2 0 214.353 1.515 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+][C@]12C[C@H]1COC2(C)C ZINC000530243225 388638297 /nfs/dbraw/zinc/63/82/97/388638297.db2.gz FZKVFLODAWQHJL-GMXVVIOVSA-N 2 0 226.364 1.517 20 0 BDADRP COC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)C(C)C ZINC000083397619 388639408 /nfs/dbraw/zinc/63/94/08/388639408.db2.gz NLQZLEHFWRJCRE-OLZOCXBDSA-N 2 0 228.380 1.589 20 0 BDADRP CC[N@H+](C)CCN[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000222833429 388645231 /nfs/dbraw/zinc/64/52/31/388645231.db2.gz HXGPRGUKLQDBHS-RYUDHWBXSA-N 2 0 213.369 1.010 20 0 BDADRP C[C@@H](CN[C@H]1CC[N@H+](C)[C@H](C)C1)[NH+](C)C1CC1 ZINC000246865136 388653456 /nfs/dbraw/zinc/65/34/56/388653456.db2.gz CFTNRZBZVWYNCJ-AGIUHOORSA-N 2 0 239.407 1.541 20 0 BDADRP COC[C@H](C)C[NH2+][C@H]1CCN2CCCC[C@H]12 ZINC000123828435 388658281 /nfs/dbraw/zinc/65/82/81/388658281.db2.gz RSYLJAPZWCWBLK-FRRDWIJNSA-N 2 0 226.364 1.485 20 0 BDADRP CC[C@@H](O)CC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000128310449 388746907 /nfs/dbraw/zinc/74/69/07/388746907.db2.gz FAZGYYQYHFFZFF-CYBMUJFWSA-N 2 0 228.380 1.610 20 0 BDADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](C)O)C1 ZINC000248659881 388689509 /nfs/dbraw/zinc/68/95/09/388689509.db2.gz VLABRDCFWMNYTM-NWDGAFQWSA-N 2 0 214.353 1.031 20 0 BDADRP C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000248734740 388691816 /nfs/dbraw/zinc/69/18/16/388691816.db2.gz BSCBFNJPFCSRII-XJFOESAGSA-N 2 0 240.391 1.704 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CCCF)[C@H](C)C1 ZINC000126858882 388707158 /nfs/dbraw/zinc/70/71/58/388707158.db2.gz QNZUJADVSUATHW-MNOVXSKESA-N 2 0 202.317 1.666 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCOC[C@@H]2C)C1 ZINC000249114650 388709808 /nfs/dbraw/zinc/70/98/08/388709808.db2.gz RULXVBHCVZSNAI-XQQFMLRXSA-N 2 0 226.364 1.343 20 0 BDADRP C[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000249160976 388711306 /nfs/dbraw/zinc/71/13/06/388711306.db2.gz YWMZWJDEXLUWDA-YRGRVCCFSA-N 2 0 238.375 1.485 20 0 BDADRP Clc1ccc(CCN[C@H]2CC[NH2+]C2)s1 ZINC000226356578 388716405 /nfs/dbraw/zinc/71/64/05/388716405.db2.gz GGJLFWPZNIGMSE-QMMMGPOBSA-N 2 0 230.764 1.896 20 0 BDADRP C[C@H](O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000249385212 388719023 /nfs/dbraw/zinc/71/90/23/388719023.db2.gz BIOQTTJBFYCJEW-AVGNSLFASA-N 2 0 240.391 1.610 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](C)COC)C1 ZINC000249777397 388733525 /nfs/dbraw/zinc/73/35/25/388733525.db2.gz KPRBEUSLXYOFIO-STQMWFEESA-N 2 0 228.380 1.543 20 0 BDADRP COC[C@@H](C)C[NH2+]CCN1CCC[C@@H](C)C1 ZINC000253294069 388813878 /nfs/dbraw/zinc/81/38/78/388813878.db2.gz CGRJANYANOUJCL-OLZOCXBDSA-N 2 0 228.380 1.590 20 0 BDADRP CCC(CC)C[NH2+]CCOCC[NH+](C)C ZINC000230004743 388810249 /nfs/dbraw/zinc/81/02/49/388810249.db2.gz IJRCCNNMTKLYLS-UHFFFAOYSA-N 2 0 216.369 1.590 20 0 BDADRP CC[NH+](CC)CCN[C@H]1CC[N@H+](C)C[C@H]1C ZINC000252715988 388774644 /nfs/dbraw/zinc/77/46/44/388774644.db2.gz XIETVBQAYCZECT-OLZOCXBDSA-N 2 0 227.396 1.258 20 0 BDADRP [NH3+][C@H]1CCC[C@@H](NCC[NH+]2CCCCCC2)C1 ZINC000093215391 388828944 /nfs/dbraw/zinc/82/89/44/388828944.db2.gz XDJQVXFXPYHIKP-UONOGXRCSA-N 3 0 239.407 1.722 20 0 BDADRP C[NH2+]C[C@](C)(O)C[N@H+](C)CC1CCCC1 ZINC000565092978 388913083 /nfs/dbraw/zinc/91/30/83/388913083.db2.gz NOVAIWVRNJRQQV-LBPRGKRZSA-N 2 0 214.353 1.079 20 0 BDADRP CC[C@@H](C)[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000565165386 388920587 /nfs/dbraw/zinc/92/05/87/388920587.db2.gz WLHHQAJUQAAREL-GFCCVEGCSA-N 2 0 228.380 1.610 20 0 BDADRP COC[C@H](C)C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000153368203 388967246 /nfs/dbraw/zinc/96/72/46/388967246.db2.gz QQNJMUDWKSOCLK-CHWSQXEVSA-N 2 0 228.380 1.590 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCNc2ccccn2)C1 ZINC000565843430 388974000 /nfs/dbraw/zinc/97/40/00/388974000.db2.gz NTNYDCSNKZMIEW-NWDGAFQWSA-N 2 0 234.347 1.353 20 0 BDADRP CC[NH2+]CCC[NH2+][C@H]1CCCC12CCOCC2 ZINC000566088035 388986228 /nfs/dbraw/zinc/98/62/28/388986228.db2.gz OUAHXYPIKBFROX-ZDUSSCGKSA-N 2 0 240.391 1.925 20 0 BDADRP CSC[C@H](O)C[NH2+][C@H](C)C(C)(C)C[NH+](C)C ZINC000565829141 388970831 /nfs/dbraw/zinc/97/08/31/388970831.db2.gz WPECAQSBQOUNNA-GHMZBOCLSA-N 2 0 248.436 1.276 20 0 BDADRP CSC[C@H](O)C[NH2+][C@@H](C)C(C)(C)C[NH+](C)C ZINC000565829144 388970985 /nfs/dbraw/zinc/97/09/85/388970985.db2.gz WPECAQSBQOUNNA-WDEREUQCSA-N 2 0 248.436 1.276 20 0 BDADRP C[N@H+]1CC=C(CNCc2cscn2)CC1 ZINC000271927859 389028102 /nfs/dbraw/zinc/02/81/02/389028102.db2.gz VXRBZOTVXDTZRD-UHFFFAOYSA-N 2 0 223.345 1.495 20 0 BDADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@H]1CCC[NH2+]1 ZINC000400720688 533355642 /nfs/dbraw/zinc/35/56/42/533355642.db2.gz OKAMMBNDENJFQS-CHWSQXEVSA-N 3 0 239.407 1.448 20 0 BDADRP C[C@@H]([NH2+]CC1CC(F)(F)C1)[C@@H]1CCC[NH2+]1 ZINC000400518919 533366171 /nfs/dbraw/zinc/36/61/71/533366171.db2.gz GTPSUJAKQJFEPO-SCZZXKLOSA-N 2 0 218.291 1.762 20 0 BDADRP C([NH2+][C@@H]1CCCC[NH2+]C1)[C@@H]1CCCOC1 ZINC000335644329 533369172 /nfs/dbraw/zinc/36/91/72/533369172.db2.gz TVZPODWWZVUALO-NWDGAFQWSA-N 2 0 212.337 1.145 20 0 BDADRP C([C@H]1CCSC1)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261531695 533377057 /nfs/dbraw/zinc/37/70/57/533377057.db2.gz HNCOLRYTGPZFEX-IJLUTSLNSA-N 2 0 226.389 1.423 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCO[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000400507459 533524708 /nfs/dbraw/zinc/52/47/08/533524708.db2.gz KKJDASUSAHUVBU-KKOKHZNYSA-N 2 0 212.337 1.284 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CCO)CC2)[C@H]1C ZINC000495065276 533644956 /nfs/dbraw/zinc/64/49/56/533644956.db2.gz JSHUSTFUWOUIPA-MBNYWOFBSA-N 2 0 240.391 1.325 20 0 BDADRP Cc1c[nH+]ccc1N1CC[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000368450758 132283578 /nfs/dbraw/zinc/28/35/78/132283578.db2.gz SPJYAWHDVBNCRT-OCCSQVGLSA-N 2 0 231.343 1.920 20 0 BDADRP Cc1cc(N2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)cc[nH+]1 ZINC000372336360 132285979 /nfs/dbraw/zinc/28/59/79/132285979.db2.gz GBCIYOREFSNJPQ-TZMCWYRMSA-N 2 0 231.343 1.920 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@@]2(C)CC[NH2+]C2)cc1 ZINC000335878411 133948060 /nfs/dbraw/zinc/94/80/60/133948060.db2.gz LVLHFZZCHIKRPS-HZMBPMFUSA-N 2 0 247.342 1.644 20 0 BDADRP CCc1noc(C)c1CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000336022272 134055800 /nfs/dbraw/zinc/05/58/00/134055800.db2.gz JYIJRXUYCVDQQZ-NEPJUHHUSA-N 2 0 249.358 1.587 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccccc2N(C)C)CC[C@@H]1[NH3+] ZINC000336054897 134065693 /nfs/dbraw/zinc/06/56/93/134065693.db2.gz RMCHNZWIAPFSJJ-JSGCOSHPSA-N 2 0 247.386 1.922 20 0 BDADRP C[C@@H]1NCC[N@H+](CCC2CC[NH2+]CC2)[C@H]1C ZINC000336079459 134073945 /nfs/dbraw/zinc/07/39/45/134073945.db2.gz KNKFFXWEJKGFQW-RYUDHWBXSA-N 2 0 225.380 1.058 20 0 BDADRP Cc1ccc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)nc1 ZINC000336124896 134092445 /nfs/dbraw/zinc/09/24/45/134092445.db2.gz GGHCWHGBAZKPHB-OAHLLOKOSA-N 2 0 245.370 1.918 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2cccnc2)C[C@@H]1C[NH3+] ZINC000167610201 134152816 /nfs/dbraw/zinc/15/28/16/134152816.db2.gz CLQLOTDHSXUUAG-YPMHNXCESA-N 2 0 219.332 1.498 20 0 BDADRP CC(C)[C@H](C)[NH2+]CCOCC[NH+](C)C ZINC000219307324 134281222 /nfs/dbraw/zinc/28/12/22/134281222.db2.gz FTLWRAWTLUBQBT-NSHDSACASA-N 2 0 202.342 1.199 20 0 BDADRP COCCC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000177944778 134302008 /nfs/dbraw/zinc/30/20/08/134302008.db2.gz IVFKVAKCPRADMW-OLZOCXBDSA-N 2 0 240.391 1.875 20 0 BDADRP Cn1cc([C@@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)cn1 ZINC000178981584 134313869 /nfs/dbraw/zinc/31/38/69/134313869.db2.gz ABXPVQVTOXTWLP-CYBMUJFWSA-N 2 0 248.374 1.209 20 0 BDADRP C[C@H](O)C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000178971659 134314353 /nfs/dbraw/zinc/31/43/53/134314353.db2.gz IKPBICZRPBAIEH-NSHDSACASA-N 2 0 226.364 1.079 20 0 BDADRP C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ncc[nH]1 ZINC000221146751 134317309 /nfs/dbraw/zinc/31/73/09/134317309.db2.gz WCMJJOBFQJTFHV-TUAOUCFPSA-N 2 0 234.347 1.687 20 0 BDADRP CCN(CC[NH2+][C@H]1CCO[C@@H](C)C1)C1CC1 ZINC000223062717 134336056 /nfs/dbraw/zinc/33/60/56/134336056.db2.gz AZFGJUMWSNVKMU-RYUDHWBXSA-N 2 0 226.364 1.628 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCOC2)CC1 ZINC000227327720 134378195 /nfs/dbraw/zinc/37/81/95/134378195.db2.gz JEGMGAZRTLJQAF-LLVKDONJSA-N 2 0 212.337 1.097 20 0 BDADRP CCOC[C@@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000227495732 134381209 /nfs/dbraw/zinc/38/12/09/134381209.db2.gz ZRRHCIGTGJQEBQ-GFCCVEGCSA-N 2 0 228.380 1.733 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCCOCC2)CC1 ZINC000227497738 134381392 /nfs/dbraw/zinc/38/13/92/134381392.db2.gz OTEPWOAWLWGTEB-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@H](C[NH+](C)C)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000227601702 134388003 /nfs/dbraw/zinc/38/80/03/134388003.db2.gz MTROGMRTUGCPBV-WOPDTQHZSA-N 2 0 213.369 1.009 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCO[C@H](C)C2)C1 ZINC000069863016 134904804 /nfs/dbraw/zinc/90/48/04/134904804.db2.gz SPUHRECXDWQPIQ-JHJVBQTASA-N 2 0 226.364 1.485 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2CC[C@@H](C)O2)C1 ZINC000248986562 135029928 /nfs/dbraw/zinc/02/99/28/135029928.db2.gz XBAZIKGNRDDGIH-HZSPNIEDSA-N 2 0 240.391 1.828 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@H](O)C2)[C@@H](C)C1 ZINC000249042913 135030721 /nfs/dbraw/zinc/03/07/21/135030721.db2.gz HAAQTFBOXZUNJQ-CRWXNKLISA-N 2 0 240.391 1.467 20 0 BDADRP CCOCCC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000163665297 135040915 /nfs/dbraw/zinc/04/09/15/135040915.db2.gz KXTCLVAWAKZZGX-XQQFMLRXSA-N 2 0 226.364 1.472 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251494970 135069547 /nfs/dbraw/zinc/06/95/47/135069547.db2.gz JRWQOLWWUOKJTH-RDBSUJKOSA-N 2 0 248.374 1.488 20 0 BDADRP CC[C@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000251741138 135076109 /nfs/dbraw/zinc/07/61/09/135076109.db2.gz KWAUYNQQCLGETK-NEPJUHHUSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H](c1cccs1)[N@H+](C)CCOCC[NH3+] ZINC000086435529 135084035 /nfs/dbraw/zinc/08/40/35/135084035.db2.gz LBMHSHKYVGIMMW-JTQLQIEISA-N 2 0 228.361 1.716 20 0 BDADRP CC(C)C[NH+](CCOCC[NH3+])CC(C)C ZINC000086435460 135084159 /nfs/dbraw/zinc/08/41/59/135084159.db2.gz VIUJBVWHWDEUKS-UHFFFAOYSA-N 2 0 216.369 1.576 20 0 BDADRP C[C@@H]1CCC[C@@H]([N@H+](C)CCOCC[NH3+])C1 ZINC000086435504 135084162 /nfs/dbraw/zinc/08/41/62/135084162.db2.gz PBPHZUXDUMNFRF-VXGBXAGGSA-N 2 0 214.353 1.472 20 0 BDADRP CC[N@H+](CCOCC[NH3+])C1CCCCC1 ZINC000086435352 135084217 /nfs/dbraw/zinc/08/42/17/135084217.db2.gz VYNLUUJOGAUEIQ-UHFFFAOYSA-N 2 0 214.353 1.616 20 0 BDADRP C[C@H](CC[NH+](C)C)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000252214103 135087541 /nfs/dbraw/zinc/08/75/41/135087541.db2.gz YUMQSZFHNVZGQL-UPJWGTAASA-N 2 0 227.396 1.399 20 0 BDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCC[NH3+] ZINC000086501019 135088587 /nfs/dbraw/zinc/08/85/87/135088587.db2.gz MWRJRZBJRHNJTB-CHWSQXEVSA-N 3 0 227.396 1.626 20 0 BDADRP C[C@H](CCCO)[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000252625806 135093181 /nfs/dbraw/zinc/09/31/81/135093181.db2.gz RJLDQXLXWMZGSL-FDYHWXHSSA-N 2 0 228.380 1.466 20 0 BDADRP [NH3+]C1CCC([NH2+]CCOC2CCCC2)CC1 ZINC000086730150 135096098 /nfs/dbraw/zinc/09/60/98/135096098.db2.gz JUCBQRXAIYVYQU-UHFFFAOYSA-N 2 0 226.364 1.805 20 0 BDADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)C[C@H]1CCCOC1 ZINC000252686669 135096543 /nfs/dbraw/zinc/09/65/43/135096543.db2.gz KCHNGLLKAJYCLZ-OLZOCXBDSA-N 2 0 228.380 1.718 20 0 BDADRP CCC[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252703345 135098191 /nfs/dbraw/zinc/09/81/91/135098191.db2.gz XPNRCKVGFIECDV-AGIUHOORSA-N 2 0 226.364 1.364 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCOCC1CC1 ZINC000252710649 135099455 /nfs/dbraw/zinc/09/94/55/135099455.db2.gz HHFZKLQRERWFRE-DGCLKSJQSA-N 2 0 226.364 1.343 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCOCC1CC1 ZINC000252710650 135099658 /nfs/dbraw/zinc/09/96/58/135099658.db2.gz HHFZKLQRERWFRE-WCQYABFASA-N 2 0 226.364 1.343 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1NCCC[NH+]1CCCC1 ZINC000252711981 135100236 /nfs/dbraw/zinc/10/02/36/135100236.db2.gz LDRCCSUBWPXCCT-ZIAGYGMSSA-N 2 0 239.407 1.402 20 0 BDADRP Cc1c[nH+]ccc1N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086887139 135100497 /nfs/dbraw/zinc/10/04/97/135100497.db2.gz SCHDLDGDOFEOFN-MNOVXSKESA-N 2 0 205.305 1.564 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252713313 135100992 /nfs/dbraw/zinc/10/09/92/135100992.db2.gz OUZHBLCFIWAQMT-UMSGYPCISA-N 2 0 228.380 1.323 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000252743091 135106425 /nfs/dbraw/zinc/10/64/25/135106425.db2.gz LGCQEHODKJERLN-USZNOCQGSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@@H](O)CC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000252745816 135106671 /nfs/dbraw/zinc/10/66/71/135106671.db2.gz PPHOWPQNJJQMOL-CHWSQXEVSA-N 2 0 228.380 1.564 20 0 BDADRP CCSCC[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252767116 135108327 /nfs/dbraw/zinc/10/83/27/135108327.db2.gz JJZAOMFPFCVFCV-VHSXEESVSA-N 2 0 202.367 1.409 20 0 BDADRP C[C@@]1(C[NH2+]C[C@H]2CCC[NH2+]C2)CCCO1 ZINC000087255627 135115624 /nfs/dbraw/zinc/11/56/24/135115624.db2.gz CUXPFDNNXSGJPO-RYUDHWBXSA-N 2 0 212.337 1.145 20 0 BDADRP CSC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000252913671 135116333 /nfs/dbraw/zinc/11/63/33/135116333.db2.gz OOLGGHSYIAHXEP-GARJFASQSA-N 2 0 216.394 1.845 20 0 BDADRP CC[C@H](CCO)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000253022336 135119095 /nfs/dbraw/zinc/11/90/95/135119095.db2.gz KYOOFLBEPZMQLV-TUAOUCFPSA-N 2 0 214.353 1.255 20 0 BDADRP CCC[C@H](O)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000253014088 135119211 /nfs/dbraw/zinc/11/92/11/135119211.db2.gz FSTVYYBAOIGCSS-SRVKXCTJSA-N 2 0 214.353 1.255 20 0 BDADRP C[C@@H](CCCO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000087358262 135124481 /nfs/dbraw/zinc/12/44/81/135124481.db2.gz GJXHDQHLQHOLDI-WODVXLOZSA-N 2 0 226.364 1.362 20 0 BDADRP Cc1ccccc1CC[NH2+]CC(C)(C)[NH3+] ZINC000258831870 135134711 /nfs/dbraw/zinc/13/47/11/135134711.db2.gz MHMPDUNWYWGATC-UHFFFAOYSA-N 2 0 206.333 1.864 20 0 BDADRP COc1ccc(CC[NH2+]CC(C)(C)[NH3+])cc1 ZINC000258918733 135135367 /nfs/dbraw/zinc/13/53/67/135135367.db2.gz UFGIVKRFSPFAGD-UHFFFAOYSA-N 2 0 222.332 1.565 20 0 BDADRP c1cncc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000257656208 135138090 /nfs/dbraw/zinc/13/80/90/135138090.db2.gz FIBSTJBOFAUYER-UHFFFAOYSA-N 2 0 231.343 1.657 20 0 BDADRP C(C1CCOCC1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257652051 135138401 /nfs/dbraw/zinc/13/84/01/135138401.db2.gz DNLAMNZJEOLYDF-AWEZNQCLSA-N 2 0 238.375 1.489 20 0 BDADRP Cc1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)no1 ZINC000257694526 135140102 /nfs/dbraw/zinc/14/01/02/135140102.db2.gz OKEQODFRFATNET-UHFFFAOYSA-N 2 0 235.331 1.559 20 0 BDADRP Cc1cnc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)o1 ZINC000257702211 135140218 /nfs/dbraw/zinc/14/02/18/135140218.db2.gz QKBBPCMIXGAYAB-UHFFFAOYSA-N 2 0 235.331 1.559 20 0 BDADRP C([C@H]1CCCOC1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257713851 135140878 /nfs/dbraw/zinc/14/08/78/135140878.db2.gz UGRRRVTWYZXGQE-KGLIPLIRSA-N 2 0 238.375 1.489 20 0 BDADRP C[C@@H]([NH3+])CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000257760432 135141644 /nfs/dbraw/zinc/14/16/44/135141644.db2.gz VJHSJANYUGJRMP-CHWSQXEVSA-N 2 0 225.380 1.284 20 0 BDADRP Cc1n[nH]c(C)c1C[NH+]1CCC(C[NH3+])CC1 ZINC000257748435 135142039 /nfs/dbraw/zinc/14/20/39/135142039.db2.gz XWQCDCXHVLTVHV-UHFFFAOYSA-N 2 0 222.336 1.197 20 0 BDADRP COC[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)C1CC1 ZINC000087479645 135144370 /nfs/dbraw/zinc/14/43/70/135144370.db2.gz ACILWCICUGHTEN-CMPLNLGQSA-N 2 0 214.353 1.341 20 0 BDADRP Cc1ccsc1CN1C[C@H](C)[C@H]([NH3+])C1 ZINC000261528185 135153728 /nfs/dbraw/zinc/15/37/28/135153728.db2.gz JPIRNQJTVAZKJP-VHSXEESVSA-N 2 0 210.346 1.836 20 0 BDADRP Cc1[nH+]ccc(N2CC[NH2+][C@@H](C)C2)c1Cl ZINC000261531601 135160885 /nfs/dbraw/zinc/16/08/85/135160885.db2.gz HGTYHLAFAKMLNZ-QMMMGPOBSA-N 2 0 225.723 1.842 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2C[NH3+])CCO1 ZINC000261533988 135166053 /nfs/dbraw/zinc/16/60/53/135166053.db2.gz MUBYGEHTHXMTSC-LPWJVIDDSA-N 2 0 226.364 1.661 20 0 BDADRP Cc1[nH+]ccc(N2CC[NH2+]C[C@H]2C)c1Cl ZINC000261536146 135171054 /nfs/dbraw/zinc/17/10/54/135171054.db2.gz QNUJNVPJLRSMKD-MRVPVSSYSA-N 2 0 225.723 1.842 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)[C@@H]1CCCO1 ZINC000261536801 135172887 /nfs/dbraw/zinc/17/28/87/135172887.db2.gz TUFJUHWCBNOWQW-WYUUTHIRSA-N 2 0 212.337 1.142 20 0 BDADRP COCC(C)(C)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000261536777 135173310 /nfs/dbraw/zinc/17/33/10/135173310.db2.gz SWLOTMUTYOIZHX-MNOVXSKESA-N 2 0 214.353 1.519 20 0 BDADRP Cc1[nH+]ccc(N2CC[C@@H]([NH3+])[C@@H]2C)c1Cl ZINC000261538952 135177212 /nfs/dbraw/zinc/17/72/12/135177212.db2.gz ZZDPIXMTMIZUIY-DTWKUNHWSA-N 2 0 225.723 1.969 20 0 BDADRP C[C@H](C1CC1)[N@H+](CCOCC[NH3+])C1CC1 ZINC000261539792 135178335 /nfs/dbraw/zinc/17/83/35/135178335.db2.gz DDSPKUOUKYWYOU-SNVBAGLBSA-N 2 0 212.337 1.225 20 0 BDADRP CCC[C@](C)(CO)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000261540207 135179272 /nfs/dbraw/zinc/17/92/72/135179272.db2.gz DUKHHSHTHNUTHV-NWDGAFQWSA-N 2 0 214.353 1.127 20 0 BDADRP CCCn1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cn1 ZINC000261541288 135180805 /nfs/dbraw/zinc/18/08/05/135180805.db2.gz JMRNMAOCXWYVQS-VXGBXAGGSA-N 2 0 236.363 1.462 20 0 BDADRP C[C@H](NCC[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261543719 135184541 /nfs/dbraw/zinc/18/45/41/135184541.db2.gz HZMMPLXADWNISX-ZFWWWQNUSA-N 2 0 247.386 1.445 20 0 BDADRP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)nc1 ZINC000261544300 135185672 /nfs/dbraw/zinc/18/56/72/135185672.db2.gz DQJQKBUVSNTOIJ-YUTCNCBUSA-N 2 0 231.343 1.559 20 0 BDADRP C([C@@H]1CCOC1)[N@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000261544715 135185954 /nfs/dbraw/zinc/18/59/54/135185954.db2.gz ZFNONOWLHVGJMS-STQMWFEESA-N 2 0 238.375 1.487 20 0 BDADRP CCOC(=O)C1CCC([NH2+][C@H](C)[C@@H](C)[NH3+])CC1 ZINC000261544615 135186231 /nfs/dbraw/zinc/18/62/31/135186231.db2.gz DZFBDTDUJYZUDV-QYNFOATHSA-N 2 0 242.363 1.434 20 0 BDADRP CCC[C@@](C)(CO)[NH2+]CC1CC[NH2+]CC1 ZINC000261551089 135190107 /nfs/dbraw/zinc/19/01/07/135190107.db2.gz QBPYOKUTSFDWAG-LBPRGKRZSA-N 2 0 214.353 1.127 20 0 BDADRP CCC1(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)CCOCC1 ZINC000261553252 135192842 /nfs/dbraw/zinc/19/28/42/135192842.db2.gz NRAOLTIZDGRUQR-CHWSQXEVSA-N 2 0 240.391 1.862 20 0 BDADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCc3cccnc3)C[C@H]12 ZINC000261553893 135193506 /nfs/dbraw/zinc/19/35/06/135193506.db2.gz OKVXLMATTDHKSP-MELADBBJSA-N 2 0 231.343 1.293 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C)C1(C)C ZINC000261553883 135193646 /nfs/dbraw/zinc/19/36/46/135193646.db2.gz OJRYPNHWBUYXBT-MROQNXINSA-N 2 0 240.391 1.778 20 0 BDADRP CC(C)CCOCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000084221191 135193680 /nfs/dbraw/zinc/19/36/80/135193680.db2.gz DNFFLKNMIQHJKZ-QWHCGFSZSA-N 2 0 228.380 1.766 20 0 BDADRP Cc1cc(F)ccc1CN(C)[C@H](C)C[NH3+] ZINC000261554234 135193891 /nfs/dbraw/zinc/19/38/91/135193891.db2.gz UCEVFKCRVQVEGC-SNVBAGLBSA-N 2 0 210.296 1.913 20 0 BDADRP Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000261554642 135194607 /nfs/dbraw/zinc/19/46/07/135194607.db2.gz BAAHUFOLXLNSFE-TUAOUCFPSA-N 2 0 247.342 1.265 20 0 BDADRP C[C@H]1OCC[N@H+](CC2CC[NH2+]CC2)[C@@H]1C ZINC000261555164 135195159 /nfs/dbraw/zinc/19/51/59/135195159.db2.gz UUNYVOUYWKTEFQ-GHMZBOCLSA-N 2 0 212.337 1.095 20 0 BDADRP C[C@H]1CCSCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261555761 135195197 /nfs/dbraw/zinc/19/51/97/135195197.db2.gz VGMMKGVHAFETMV-NSHDSACASA-N 2 0 228.405 1.813 20 0 BDADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1cnn(C)c1 ZINC000261556473 135196729 /nfs/dbraw/zinc/19/67/29/135196729.db2.gz QUBVGYSTWYCJOQ-GVXVVHGQSA-N 2 0 236.363 1.588 20 0 BDADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3F)C[C@@H]12 ZINC000261558081 135198946 /nfs/dbraw/zinc/19/89/46/135198946.db2.gz SGCLQFMCTRFHNB-ZKYQVNSYSA-N 2 0 234.318 1.995 20 0 BDADRP C[C@]1(C[N@@H+]2CC[C@H]3CCC[C@H]32)CC[NH2+]C1 ZINC000261559023 135199619 /nfs/dbraw/zinc/19/96/19/135199619.db2.gz YUENVNYQGOSCKI-UPJWGTAASA-N 2 0 208.349 1.860 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCC1CCOCC1 ZINC000261561092 135202225 /nfs/dbraw/zinc/20/22/25/135202225.db2.gz VBLMUKKOSUIYLL-ZIAGYGMSSA-N 2 0 240.391 1.910 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC[C@H]3CCCO3)C[C@@H]12 ZINC000261562385 135203686 /nfs/dbraw/zinc/20/36/86/135203686.db2.gz BGPCIAHBKMXUNO-FDYHWXHSSA-N 2 0 224.348 1.225 20 0 BDADRP CC(C)n1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000261563074 135205423 /nfs/dbraw/zinc/20/54/23/135205423.db2.gz GVCUFMKSVMLKON-YUTCNCBUSA-N 2 0 248.374 1.633 20 0 BDADRP Cc1cccnc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000163860800 135207314 /nfs/dbraw/zinc/20/73/14/135207314.db2.gz GHMKYNHWJGXXBT-WCQYABFASA-N 2 0 233.359 1.807 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cccc(O)c3)C[C@@H]12 ZINC000261567432 135209376 /nfs/dbraw/zinc/20/93/76/135209376.db2.gz ZTJURKDUHLUGKG-MRVWCRGKSA-N 2 0 232.327 1.561 20 0 BDADRP COc1ccccc1C[C@H](C)[NH2+]CC(C)(C)[NH3+] ZINC000261567646 135209540 /nfs/dbraw/zinc/20/95/40/135209540.db2.gz ZZMJWMDQKGENKD-NSHDSACASA-N 2 0 236.359 1.953 20 0 BDADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cccc(O)c3)C[C@@H]12 ZINC000261567427 135209615 /nfs/dbraw/zinc/20/96/15/135209615.db2.gz ZTJURKDUHLUGKG-IACUBPJLSA-N 2 0 232.327 1.561 20 0 BDADRP CC(C)n1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cn1 ZINC000261575508 135216652 /nfs/dbraw/zinc/21/66/52/135216652.db2.gz NDHBRKUISACHDZ-MJBXVCDLSA-N 2 0 248.374 1.633 20 0 BDADRP CC(C)n1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cn1 ZINC000261575505 135216840 /nfs/dbraw/zinc/21/68/40/135216840.db2.gz NDHBRKUISACHDZ-BFHYXJOUSA-N 2 0 248.374 1.633 20 0 BDADRP COC1CCC([NH2+][C@H](C)CC[NH+](C)C)CC1 ZINC000164251169 135217279 /nfs/dbraw/zinc/21/72/79/135217279.db2.gz AURRVHYLIDRXGU-PNESKVBLSA-N 2 0 228.380 1.874 20 0 BDADRP CC(=O)Nc1ccc(CN2CC[C@@H]([NH3+])[C@@H]2C)cc1 ZINC000261576584 135217331 /nfs/dbraw/zinc/21/73/31/135217331.db2.gz NUNOKZFIXRSYIL-IINYFYTJSA-N 2 0 247.342 1.567 20 0 BDADRP C[C@@H]1C[NH+](CC[C@@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000084384451 135218010 /nfs/dbraw/zinc/21/80/10/135218010.db2.gz WJPBEEFZFZURDJ-UTUOFQBUSA-N 2 0 212.337 1.095 20 0 BDADRP C[C@H]([NH3+])C[N@H+](C[C@H](C)O)C1CCCCC1 ZINC000261580068 135220699 /nfs/dbraw/zinc/22/06/99/135220699.db2.gz MQHNJQGFDBSRBT-QWRGUYRKSA-N 2 0 214.353 1.349 20 0 BDADRP C[C@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CCN ZINC000261582061 135222175 /nfs/dbraw/zinc/22/21/75/135222175.db2.gz OBJHDRCSEFLTOG-GXTWGEPZSA-N 2 0 218.344 1.898 20 0 BDADRP C[C@](O)(C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])C1CC1 ZINC000261583825 135225058 /nfs/dbraw/zinc/22/50/58/135225058.db2.gz PGLWWNBZONPZTA-UHTWSYAYSA-N 2 0 226.364 1.255 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000261591580 135232158 /nfs/dbraw/zinc/23/21/58/135232158.db2.gz XSHMJWSYGFSMPP-UGFHNGPFSA-N 2 0 245.370 1.815 20 0 BDADRP [NH3+]C1(C[NH2+]CCOCC(F)(F)F)CCC1 ZINC000261593443 135233519 /nfs/dbraw/zinc/23/35/19/135233519.db2.gz WWEXTFQEDYAIGI-UHFFFAOYSA-N 2 0 226.242 1.036 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)c1ccsc1 ZINC000261593423 135233590 /nfs/dbraw/zinc/23/35/90/135233590.db2.gz WUMDYSKPQGZMOL-DLOVCJGASA-N 2 0 240.372 1.499 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1NCc1ccccc1F ZINC000261598490 135236655 /nfs/dbraw/zinc/23/66/55/135236655.db2.gz ZOYQROJPYPPABJ-MFKMUULPSA-N 2 0 222.307 1.913 20 0 BDADRP CCOCC(C)(C)C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000261597480 135236881 /nfs/dbraw/zinc/23/68/81/135236881.db2.gz ZCLCASXHZNRAQX-LBPRGKRZSA-N 2 0 228.380 1.781 20 0 BDADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccon2)C1 ZINC000261599740 135237929 /nfs/dbraw/zinc/23/79/29/135237929.db2.gz ZZSPWHLPWWFHHG-SNVBAGLBSA-N 2 0 209.293 1.235 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000261547191 135240035 /nfs/dbraw/zinc/24/00/35/135240035.db2.gz LZYIVMFMSZCCCV-FRRDWIJNSA-N 2 0 208.349 1.860 20 0 BDADRP Cc1nccn1CC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000261547810 135240980 /nfs/dbraw/zinc/24/09/80/135240980.db2.gz IOYNKAGDZPKHKC-CHWSQXEVSA-N 2 0 236.363 1.299 20 0 BDADRP CC(C)[C@@H]1CN(C[C@]2(C)CC[NH2+]C2)CC[N@@H+]1C ZINC000261716672 135247394 /nfs/dbraw/zinc/24/73/94/135247394.db2.gz FFDPNGIOEKEVCC-UONOGXRCSA-N 2 0 239.407 1.258 20 0 BDADRP CN(C[C@H]1CCC[N@H+](C)C1)C[C@@]1(C)CC[NH2+]C1 ZINC000261751314 135249754 /nfs/dbraw/zinc/24/97/54/135249754.db2.gz JWAALBZVBRQNBA-KBPBESRZSA-N 3 0 239.407 1.260 20 0 BDADRP CN(C)[C@@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000084420594 135252486 /nfs/dbraw/zinc/25/24/86/135252486.db2.gz JHKDCWHDJLVDOL-QWHCGFSZSA-N 2 0 225.380 1.012 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](CC[C@H]2CCOC2)C1 ZINC000261827445 135256145 /nfs/dbraw/zinc/25/61/45/135256145.db2.gz IVWQYMLMGCGOSX-STQMWFEESA-N 2 0 226.364 1.344 20 0 BDADRP CC[C@@H]1C[C@H](C)CN1Cc1noc(CN)n1 ZINC000261861254 135258032 /nfs/dbraw/zinc/25/80/32/135258032.db2.gz WLKSKRMGVZFWBB-DTWKUNHWSA-N 2 0 224.308 1.149 20 0 BDADRP C[C@]1(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)CC[NH2+]C1 ZINC000261867836 135258200 /nfs/dbraw/zinc/25/82/00/135258200.db2.gz ODHSSCITLFOKPP-YPMHNXCESA-N 2 0 226.364 1.079 20 0 BDADRP C[C@]1(C[N@@H+]2CC[C@]3(CCOC3)C2)CC[NH2+]C1 ZINC000261882894 135260291 /nfs/dbraw/zinc/26/02/91/135260291.db2.gz RINBNJCQOCZPQN-STQMWFEESA-N 2 0 224.348 1.098 20 0 BDADRP CC(C)(C)[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000261908581 135261725 /nfs/dbraw/zinc/26/17/25/135261725.db2.gz ZMNFAMIBMMJNPZ-ZDUSSCGKSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1CC[N@H+](C)CCN1C[C@]1(C)CC[NH2+]C1 ZINC000261900369 135261922 /nfs/dbraw/zinc/26/19/22/135261922.db2.gz VWJACXDCKHZOKI-CHWSQXEVSA-N 2 0 225.380 1.012 20 0 BDADRP c1cn(C[C@H]2CCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)cn1 ZINC000261932045 135264162 /nfs/dbraw/zinc/26/41/62/135264162.db2.gz LREIKDXLGGILBN-ZIAGYGMSSA-N 3 0 248.374 1.347 20 0 BDADRP C[N@H+](CC1CC1)C[C@H]1CCN(CC(C)(C)[NH3+])C1 ZINC000261949768 135265147 /nfs/dbraw/zinc/26/51/47/135265147.db2.gz NUMDVJVFZGWIJA-CYBMUJFWSA-N 2 0 239.407 1.387 20 0 BDADRP C[C@]1(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)CC[NH2+]C1 ZINC000261954961 135265761 /nfs/dbraw/zinc/26/57/61/135265761.db2.gz GPDKQKCMUDHBMB-MCIONIFRSA-N 2 0 238.375 1.487 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@H+](CC(C)(C)COC)C1 ZINC000262029307 135273616 /nfs/dbraw/zinc/27/36/16/135273616.db2.gz WXWIZILAGJPHES-GFCCVEGCSA-N 2 0 228.380 1.590 20 0 BDADRP C[C@]1(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)CC[NH2+]C1 ZINC000262028449 135273872 /nfs/dbraw/zinc/27/38/72/135273872.db2.gz NUTJSLOUFBOJST-MJBXVCDLSA-N 2 0 238.375 1.344 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](CCOCC(F)F)C1 ZINC000262068724 135276496 /nfs/dbraw/zinc/27/64/96/135276496.db2.gz BTPDSHHSUYENLY-JTQLQIEISA-N 2 0 236.306 1.329 20 0 BDADRP C[N@H+](C[C@@H]1CCCC[C@H]1O)C[C@]1(C)CC[NH2+]C1 ZINC000262106154 135279068 /nfs/dbraw/zinc/27/90/68/135279068.db2.gz VYTCJJWKTKUKGA-BFHYXJOUSA-N 2 0 240.391 1.469 20 0 BDADRP c1c[nH]c([C@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000262119736 135279977 /nfs/dbraw/zinc/27/99/77/135279977.db2.gz BXWPBOKGWHNUIR-ZDUSSCGKSA-N 2 0 248.374 1.589 20 0 BDADRP c1ccc2c(c1)C[C@@H]([NH2+]CC1CC[NH2+]CC1)CO2 ZINC000262165977 135283309 /nfs/dbraw/zinc/28/33/09/135283309.db2.gz HIXWSZYKACBQIA-CQSZACIVSA-N 2 0 246.354 1.579 20 0 BDADRP c1ccc2c(c1)C[C@H]([NH2+]C1CC[NH2+]CC1)CO2 ZINC000262219173 135285637 /nfs/dbraw/zinc/28/56/37/135285637.db2.gz MOKYQQODYCMFCW-ZDUSSCGKSA-N 2 0 232.327 1.332 20 0 BDADRP c1n[nH]cc1C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000262201839 135289943 /nfs/dbraw/zinc/28/99/43/135289943.db2.gz KOSFUMGWAGUBDO-UHFFFAOYSA-N 2 0 248.374 1.589 20 0 BDADRP C[C@H]([NH3+])CN1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000262297473 135291520 /nfs/dbraw/zinc/29/15/20/135291520.db2.gz WWPUUXALLLTQBY-GXFFZTMASA-N 2 0 237.322 1.119 20 0 BDADRP CCC[NH2+]CCNC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000263071108 135330476 /nfs/dbraw/zinc/33/04/76/135330476.db2.gz WMCAPZJSRIUBSG-YPMHNXCESA-N 2 0 241.379 1.010 20 0 BDADRP Cc1nocc1CN(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000334330189 135354946 /nfs/dbraw/zinc/35/49/46/135354946.db2.gz OPBIWIWSOZJKTJ-MFKMUULPSA-N 2 0 237.347 1.755 20 0 BDADRP C[C@@H]1CN(C)CCN1c1ccncc1Cl ZINC000334338575 135357235 /nfs/dbraw/zinc/35/72/35/135357235.db2.gz YSNSQDQEBXDWBP-SECBINFHSA-N 2 0 225.723 1.875 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCSC1 ZINC000299962793 135383206 /nfs/dbraw/zinc/38/32/06/135383206.db2.gz GXEOXROYBYBUKJ-KKOKHZNYSA-N 2 0 228.405 1.810 20 0 BDADRP C[C@@]1(C[NH+]2CCC3(CC[NH2+]C3)CC2)CC[NH2+]C1 ZINC000334590933 135761224 /nfs/dbraw/zinc/76/12/24/135761224.db2.gz GTEPBHUUWFVPIF-CYBMUJFWSA-N 3 0 237.391 1.062 20 0 BDADRP C[C@@H]1C[C@H](C[NH+]2CCC(C)(CO)CC2)CC[NH2+]1 ZINC000334865716 135827823 /nfs/dbraw/zinc/82/78/23/135827823.db2.gz LXEHSWZZMIQFNN-CHWSQXEVSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CCC[NH2+]C2)cc1 ZINC000335018785 135878499 /nfs/dbraw/zinc/87/84/99/135878499.db2.gz KVDPOYIQJCREIK-GXFFZTMASA-N 2 0 247.342 1.188 20 0 BDADRP CC[C@@H]1C[C@@H](C[NH+]2CCC(C[NH3+])CC2)CCO1 ZINC000346636713 135948302 /nfs/dbraw/zinc/94/83/02/135948302.db2.gz HKFDDXRUUTUUTJ-UONOGXRCSA-N 2 0 240.391 1.862 20 0 BDADRP CC[N@@H+]1C[C@@H](C)[C@H](NCCC[NH+]2CCCC2)C1 ZINC000347722935 136003510 /nfs/dbraw/zinc/00/35/10/136003510.db2.gz PFKMYEXIDJLBPK-ZIAGYGMSSA-N 2 0 239.407 1.402 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](CCc2cn[nH]c2)C1 ZINC000347732262 136004386 /nfs/dbraw/zinc/00/43/86/136004386.db2.gz BTERZNBFKOYIJQ-CYBMUJFWSA-N 2 0 236.363 1.226 20 0 BDADRP FC(F)[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000348215891 136045942 /nfs/dbraw/zinc/04/59/42/136045942.db2.gz BUTLZFDGGLYDDM-MMWGEVLESA-N 2 0 230.302 1.856 20 0 BDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]C1CC(C)(F)C1 ZINC000335374303 136084806 /nfs/dbraw/zinc/08/48/06/136084806.db2.gz SKZCNXNBQGOYHG-VKAADOFISA-N 2 0 200.301 1.417 20 0 BDADRP Fc1ccc2c(c1)CC[C@@H]2[NH2+]CC1C[NH2+]C1 ZINC000335551599 136097875 /nfs/dbraw/zinc/09/78/75/136097875.db2.gz KEVGUQAZBZXYJB-ZDUSSCGKSA-N 2 0 220.291 1.622 20 0 BDADRP CC1(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])CC[NH2+]CC1 ZINC000335567217 136107835 /nfs/dbraw/zinc/10/78/35/136107835.db2.gz DUIIJKAFIHLXCX-OLZOCXBDSA-N 3 0 239.407 1.626 20 0 BDADRP CO[C@H](C)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000335571678 136109647 /nfs/dbraw/zinc/10/96/47/136109647.db2.gz ZNIKERQHRUTZGJ-VXGBXAGGSA-N 2 0 212.337 1.049 20 0 BDADRP CC(C)([NH3+])CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000335598723 136113738 /nfs/dbraw/zinc/11/37/38/136113738.db2.gz LYWKHQHNJRTSMT-NWDGAFQWSA-N 2 0 219.332 1.458 20 0 BDADRP CCn1ccnc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000051924235 322852193 /nfs/dbraw/zinc/85/21/93/322852193.db2.gz ZDAPGTPYTCLJJW-UHFFFAOYSA-N 2 0 236.363 1.334 20 0 BDADRP CC1CCC(C[N@H+](C)CCOCC[NH3+])CC1 ZINC000390270847 397884386 /nfs/dbraw/zinc/88/43/86/397884386.db2.gz RPRKRISMXVBOCK-UHFFFAOYSA-N 2 0 228.380 1.720 20 0 BDADRP C[C@@H](O)C[NH2+]C[C@@H]1CCCN1Cc1ccccc1 ZINC000390665867 397898770 /nfs/dbraw/zinc/89/87/70/397898770.db2.gz TVUFRCMFQVBGNQ-HIFRSBDPSA-N 2 0 248.370 1.621 20 0 BDADRP CC[N@@H+]1C[C@H](C)N(C[C@H]2CCC[NH+]2C)C[C@H]1C ZINC000649571761 397963095 /nfs/dbraw/zinc/96/30/95/397963095.db2.gz WBGBXZNRAKJZEC-HZSPNIEDSA-N 2 0 239.407 1.495 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1Cc1nc([C@@H]2CCC[NH2+]2)no1 ZINC000650227472 397997373 /nfs/dbraw/zinc/99/73/73/397997373.db2.gz DALZLTOIRWLNQQ-AEJSXWLSSA-N 2 0 236.319 1.164 20 0 BDADRP C[C@H](NCC[C@H]1CCC[NH2+]1)c1c[nH+]ccc1N ZINC000514667451 398045613 /nfs/dbraw/zinc/04/56/13/398045613.db2.gz QJHFYMTVAZBJHO-WDEREUQCSA-N 2 0 234.347 1.287 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@H]1F)[C@@H]1CCC[NH2+]C1 ZINC000564823079 398046148 /nfs/dbraw/zinc/04/61/48/398046148.db2.gz PTBMRXCRDDZHCS-QCNOEVLYSA-N 2 0 214.328 1.855 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCN[C@@H](C)[C@@H]2C)CC[NH2+]1 ZINC000414659249 398008570 /nfs/dbraw/zinc/00/85/70/398008570.db2.gz KVMNBWHWMWJSFI-MROQNXINSA-N 2 0 225.380 1.057 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000414661886 398010435 /nfs/dbraw/zinc/01/04/35/398010435.db2.gz QPDJIJNEWXZIFO-GRYCIOLGSA-N 2 0 213.369 1.029 20 0 BDADRP C[C@H]1C[C@H](C[N@@H+]2CCO[C@H]3CCC[C@H]32)CC[NH2+]1 ZINC000414763667 398028017 /nfs/dbraw/zinc/02/80/17/398028017.db2.gz NFLYSROMDVKDLP-DGAVXFQQSA-N 2 0 238.375 1.628 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000414826542 398048681 /nfs/dbraw/zinc/04/86/81/398048681.db2.gz FQEHQFGKWGMMEL-MCIONIFRSA-N 3 0 239.407 1.306 20 0 BDADRP C[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)C[NH+](C)C ZINC000383660655 398032794 /nfs/dbraw/zinc/03/27/94/398032794.db2.gz JGMCYRIOWVKLPN-STQMWFEESA-N 3 0 241.423 1.504 20 0 BDADRP CN(C[C@H]1CCC[N@@H+]1C)CC1([NH+](C)C)CCC1 ZINC000649591017 397977328 /nfs/dbraw/zinc/97/73/28/397977328.db2.gz KTTYLDGKFREVPJ-CYBMUJFWSA-N 2 0 239.407 1.497 20 0 BDADRP Cl/C=C/CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000307078995 397977448 /nfs/dbraw/zinc/97/74/48/397977448.db2.gz HHWQEABOZVCTDN-YEQXMLPJSA-N 2 0 200.713 1.424 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+]CC2CC[NH2+]CC2)O1 ZINC000398196700 397981389 /nfs/dbraw/zinc/98/13/89/397981389.db2.gz ZOXZLNYIGGMNHG-PWSUYJOCSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414917609 398092317 /nfs/dbraw/zinc/09/23/17/398092317.db2.gz RVOLZZIGNUHBQD-SDDRHHMPSA-N 2 0 212.337 1.143 20 0 BDADRP CCC[C@@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186568022 398093231 /nfs/dbraw/zinc/09/32/31/398093231.db2.gz LQNGKOUKBVIKIK-KGLIPLIRSA-N 2 0 241.423 1.791 20 0 BDADRP CCC[C@@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000186568056 398093364 /nfs/dbraw/zinc/09/33/64/398093364.db2.gz LQNGKOUKBVIKIK-ZIAGYGMSSA-N 2 0 241.423 1.791 20 0 BDADRP Cc1ncccc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000345174871 398087031 /nfs/dbraw/zinc/08/70/31/398087031.db2.gz ONOCJTAYRBSGDC-UHFFFAOYSA-N 2 0 231.343 1.742 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(CC3CC3)C2)[C@H](C)O1 ZINC000648450014 398052140 /nfs/dbraw/zinc/05/21/40/398052140.db2.gz JJBIHJHTWAAQIL-XWUBHJNHSA-N 2 0 238.375 1.626 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2CO)CC1 ZINC000224156182 398102706 /nfs/dbraw/zinc/10/27/06/398102706.db2.gz SMIVYYGQJIHZFZ-TZMCWYRMSA-N 2 0 240.391 1.610 20 0 BDADRP C[NH+](C)CC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000336791516 398121131 /nfs/dbraw/zinc/12/11/31/398121131.db2.gz NUIHRCQEEUUPSH-ZDUSSCGKSA-N 2 0 249.358 1.144 20 0 BDADRP COC[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000398123429 322865021 /nfs/dbraw/zinc/86/50/21/322865021.db2.gz QYDRURYOYODYEX-DGCLKSJQSA-N 2 0 226.364 1.391 20 0 BDADRP Cc1cc(C[NH2+]C[C@H](C)C[NH3+])ccc1F ZINC000258747084 322877050 /nfs/dbraw/zinc/87/70/50/322877050.db2.gz LSCQTPMDKMSWLI-SECBINFHSA-N 2 0 210.296 1.819 20 0 BDADRP COc1ccc(C[NH2+]C[C@@H](C)C[NH3+])cc1OC ZINC000258846388 322878864 /nfs/dbraw/zinc/87/88/64/322878864.db2.gz WWNUEDGQIVNYPF-JTQLQIEISA-N 2 0 238.331 1.388 20 0 BDADRP CC(C)[N@H+](C)CCN[C@@H]1CCCn2ccnc21 ZINC000655704841 487565159 /nfs/dbraw/zinc/56/51/59/487565159.db2.gz MZHSPABLJZZFRQ-GFCCVEGCSA-N 2 0 236.363 1.648 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)[C@@H]2CCCO2)C1 ZINC000680338564 487567886 /nfs/dbraw/zinc/56/78/86/487567886.db2.gz FFJYTEUNAGOQCI-MCIONIFRSA-N 2 0 240.391 1.875 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H]2CCCC[C@H]2O)C1 ZINC000393282056 487571311 /nfs/dbraw/zinc/57/13/11/487571311.db2.gz YXEIPLAHFDURTH-RWMBFGLXSA-N 2 0 226.364 1.079 20 0 BDADRP CC(C)OCCC[NH2+][C@@H](C)CCC[NH3+] ZINC000336703440 167224155 /nfs/dbraw/zinc/22/41/55/167224155.db2.gz ZZWNEIZPADZZQC-NSHDSACASA-N 2 0 202.342 1.519 20 0 BDADRP CC(C)OCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000252834052 167243542 /nfs/dbraw/zinc/24/35/42/167243542.db2.gz QDYZAWZNAVAKBX-BFHYXJOUSA-N 2 0 240.391 1.922 20 0 BDADRP CC(C)C[C@H](CNC(=O)C[NH2+]C(C)C)[NH+](C)C ZINC000040831340 487606467 /nfs/dbraw/zinc/60/64/67/487606467.db2.gz RMDYDHSSOZNFCA-GFCCVEGCSA-N 2 0 243.395 1.077 20 0 BDADRP Cc1cc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)nc(C)n1 ZINC000662247192 409546140 /nfs/dbraw/zinc/54/61/40/409546140.db2.gz VFYBNQCHPXDVNV-LLVKDONJSA-N 2 0 248.374 1.653 20 0 BDADRP CC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662284597 409614760 /nfs/dbraw/zinc/61/47/60/409614760.db2.gz ZFCQVIGAKACTFY-JHJVBQTASA-N 2 0 238.375 1.676 20 0 BDADRP [NH3+][C@H]1C[C@H](C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000662419048 409704445 /nfs/dbraw/zinc/70/44/45/409704445.db2.gz VEQIYBLHOTVKPC-UMSPYCQHSA-N 2 0 245.326 1.008 20 0 BDADRP C[C@@H](CCCC[NH3+])NC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662778072 409897566 /nfs/dbraw/zinc/89/75/66/409897566.db2.gz CTGITCXXDUPIRM-QWRGUYRKSA-N 2 0 241.379 1.008 20 0 BDADRP CC(C)C[C@H](C[NH3+])CC(=O)NC(C)(C)CC[NH3+] ZINC000662817498 409933114 /nfs/dbraw/zinc/93/31/14/409933114.db2.gz ICSWPGPHWWWRAX-NSHDSACASA-N 2 0 243.395 1.241 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)c2ccccc21 ZINC000566087932 410065671 /nfs/dbraw/zinc/06/56/71/410065671.db2.gz FRSLKCFUAIEYGQ-DFBGVHRSSA-N 3 0 245.370 1.720 20 0 BDADRP CC(C)C[N@H+](C)CCCNC(=O)CC[C@@H](C)[NH3+] ZINC000653176622 410151887 /nfs/dbraw/zinc/15/18/87/410151887.db2.gz ZTXWYNKWNMTOGZ-GFCCVEGCSA-N 2 0 243.395 1.208 20 0 BDADRP C[C@H]1CCCN(C(=O)CCCC[NH3+])[C@@H]1CC[NH3+] ZINC000653240839 410181990 /nfs/dbraw/zinc/18/19/90/410181990.db2.gz TYCWWVAHMHZHRU-NWDGAFQWSA-N 2 0 241.379 1.091 20 0 BDADRP CC(C)[C@@H](CO)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000348331804 410246832 /nfs/dbraw/zinc/24/68/32/410246832.db2.gz KMKLOOVBFXPAPF-CYBMUJFWSA-N 2 0 242.407 1.713 20 0 BDADRP CC[N@@H+]1CC[C@H](NCC[C@@H]([NH3+])C(C)C)[C@@H](C)C1 ZINC000663504150 410278664 /nfs/dbraw/zinc/27/86/64/410278664.db2.gz WVIGLINYJYFUHP-MJBXVCDLSA-N 2 0 241.423 1.680 20 0 BDADRP CC(C)C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707258 410338032 /nfs/dbraw/zinc/33/80/32/410338032.db2.gz BVMLLJFRBGZEMV-IHRRRGAJSA-N 2 0 240.391 1.861 20 0 BDADRP CCn1ccnc1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650712650 410341466 /nfs/dbraw/zinc/34/14/66/410341466.db2.gz NEFCWCIHMLJSHN-UHFFFAOYSA-N 2 0 222.336 1.122 20 0 BDADRP CCn1nccc1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650712331 410341678 /nfs/dbraw/zinc/34/16/78/410341678.db2.gz ATGKKLWXNHMWGG-UHFFFAOYSA-N 2 0 222.336 1.122 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000650712071 410342081 /nfs/dbraw/zinc/34/20/81/410342081.db2.gz PRKKWRHGJDKTMO-MELADBBJSA-N 2 0 241.423 1.809 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+][C@H]1CNc2ccccc2C1 ZINC000650715330 410350428 /nfs/dbraw/zinc/35/04/28/410350428.db2.gz YNJBZXPIHXYQPG-UONOGXRCSA-N 2 0 247.386 1.986 20 0 BDADRP CC(C)([NH3+])C[NH2+][C@H]1CNc2ccccc2C1 ZINC000650715804 410350914 /nfs/dbraw/zinc/35/09/14/410350914.db2.gz KPUISCWAQOHPKU-LLVKDONJSA-N 2 0 219.332 1.350 20 0 BDADRP COc1cc(C)nc(C[NH2+]CCC2(C[NH3+])CC2)c1 ZINC000650713341 410351400 /nfs/dbraw/zinc/35/14/00/410351400.db2.gz PJJQRKLWXUANST-UHFFFAOYSA-N 2 0 249.358 1.617 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1[nH]ncc1C ZINC000650720193 410357508 /nfs/dbraw/zinc/35/75/08/410357508.db2.gz HQSJYVWKNPBXBO-UHFFFAOYSA-N 2 0 244.342 1.727 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000650719910 410358592 /nfs/dbraw/zinc/35/85/92/410358592.db2.gz AHRAFUURBGNPFA-HNNXBMFYSA-N 3 0 247.386 1.638 20 0 BDADRP Cc1cc(C[NH+]2CCC(CC[NH3+])CC2)nn1C ZINC000650721922 410360981 /nfs/dbraw/zinc/36/09/81/410360981.db2.gz GCNCQNTZJYCAKB-UHFFFAOYSA-N 2 0 236.363 1.289 20 0 BDADRP C[NH2+]Cc1ccccc1CNC[C@H]([NH3+])CC(C)C ZINC000650720590 410361209 /nfs/dbraw/zinc/36/12/09/410361209.db2.gz VAJSUZZFQUOMRB-OAHLLOKOSA-N 3 0 249.402 1.869 20 0 BDADRP CC(C)C[N@H+](C)CCCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000650739828 410371416 /nfs/dbraw/zinc/37/14/16/410371416.db2.gz AAHTXQZDZMUMGM-UONOGXRCSA-N 2 0 241.423 1.681 20 0 BDADRP CC(C)C[N@H+](C)CCCN[C@H](C)C[C@@H](C)[NH3+] ZINC000650740726 410374866 /nfs/dbraw/zinc/37/48/66/410374866.db2.gz PIVPCNOKKQGYGI-CHWSQXEVSA-N 2 0 229.412 1.680 20 0 BDADRP CC(C)C[N@H+](C)CCCN[C@@H]1CCC[C@H]1[NH3+] ZINC000650740772 410375123 /nfs/dbraw/zinc/37/51/23/410375123.db2.gz QRJQBXMFJHUZMY-CHWSQXEVSA-N 2 0 227.396 1.434 20 0 BDADRP CO[C@@H](C)[C@@H](C)[NH2+]CCC1(C[NH3+])CC1 ZINC000650745316 410382430 /nfs/dbraw/zinc/38/24/30/410382430.db2.gz DGESOKCNZPZTEF-ZJUUUORDSA-N 2 0 200.326 1.128 20 0 BDADRP C[C@@H]1COCC[C@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650746521 410384305 /nfs/dbraw/zinc/38/43/05/410384305.db2.gz DWEDVOMZAKOAHO-GHMZBOCLSA-N 2 0 212.337 1.130 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CNc2ccccc2C1 ZINC000650747461 410387893 /nfs/dbraw/zinc/38/78/93/410387893.db2.gz AKGHBJDWZDZHAG-DMDPSCGWSA-N 2 0 233.359 1.739 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650753680 410396895 /nfs/dbraw/zinc/39/68/95/410396895.db2.gz SRNYWFOGZDQIEU-VHSXEESVSA-N 2 0 240.322 1.797 20 0 BDADRP C[C@@H](COCC1CC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000650760701 410407003 /nfs/dbraw/zinc/40/70/03/410407003.db2.gz KIUVUCKLEGFQQV-RAQOOLMWSA-N 2 0 238.375 1.674 20 0 BDADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccn(C)n1 ZINC000650761508 410409260 /nfs/dbraw/zinc/40/92/60/410409260.db2.gz AQWYKTQTBIKDPZ-LLVKDONJSA-N 2 0 236.363 1.460 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650762224 410411931 /nfs/dbraw/zinc/41/19/31/410411931.db2.gz XJKQLFARIPRQSB-STQMWFEESA-N 3 0 225.380 1.093 20 0 BDADRP CC(C)(C)[NH+]1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000051889624 166609246 /nfs/dbraw/zinc/60/92/46/166609246.db2.gz GLXCIFOHVZCVHB-LBPRGKRZSA-N 2 0 225.380 1.012 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)C1C[NH2+]C1 ZINC000665265037 410737100 /nfs/dbraw/zinc/73/71/00/410737100.db2.gz OCRIBDGTMVFGCU-SCVCMEIPSA-N 2 0 212.337 1.142 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCC[C@H](C)O1 ZINC000665264970 410737623 /nfs/dbraw/zinc/73/76/23/410737623.db2.gz NDIKOCLGBRAKPY-RWMBFGLXSA-N 2 0 244.379 1.288 20 0 BDADRP CC(C)[C@H](C)[N@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000309291096 410745215 /nfs/dbraw/zinc/74/52/15/410745215.db2.gz VTIQGBDPMSYOGY-QWHCGFSZSA-N 2 0 230.396 1.664 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000665282383 410759678 /nfs/dbraw/zinc/75/96/78/410759678.db2.gz WTDJSUXIZRFQSW-TUAOUCFPSA-N 2 0 214.353 1.517 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000393862716 410764505 /nfs/dbraw/zinc/76/45/05/410764505.db2.gz KOBDQQQFVFBZOC-HZSPNIEDSA-N 2 0 242.407 1.665 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCOCCF ZINC000665298820 410831959 /nfs/dbraw/zinc/83/19/59/410831959.db2.gz AIEOBAZHMGKZLD-OLZOCXBDSA-N 2 0 246.370 1.873 20 0 BDADRP CC(C)[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000128560528 167116762 /nfs/dbraw/zinc/11/67/62/167116762.db2.gz VPJWPZBPGMWOAN-OAHLLOKOSA-N 2 0 248.370 1.621 20 0 BDADRP CC[NH+](CC)CCOCC[NH2+]C1CC(C)C1 ZINC000336775878 169781902 /nfs/dbraw/zinc/78/19/02/169781902.db2.gz CZRUOENZALADTG-UHFFFAOYSA-N 2 0 228.380 1.733 20 0 BDADRP CC(C)OCCC[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000336752051 167215730 /nfs/dbraw/zinc/21/57/30/167215730.db2.gz VKHUYGWISAEVCZ-GFCCVEGCSA-N 2 0 214.353 1.472 20 0 BDADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]([NH3+])CC(C)C ZINC000041680145 169784532 /nfs/dbraw/zinc/78/45/32/169784532.db2.gz VGWQSBKWXQLPJD-NEPJUHHUSA-N 2 0 243.395 1.206 20 0 BDADRP CC(C)OCC[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251556658 167235143 /nfs/dbraw/zinc/23/51/43/167235143.db2.gz BMIQDNYLZYSYMO-GHMZBOCLSA-N 2 0 200.326 1.081 20 0 BDADRP CC(C)OCC[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000122347610 167237738 /nfs/dbraw/zinc/23/77/38/167237738.db2.gz LHPYLYUZHBXRHI-QWRGUYRKSA-N 2 0 200.326 1.081 20 0 BDADRP CC(C)OC[C@H](C)[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000309365726 167264818 /nfs/dbraw/zinc/26/48/18/167264818.db2.gz PMHYNAIKWXQJLI-NWDGAFQWSA-N 2 0 226.364 1.626 20 0 BDADRP C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCCC[NH2+]1 ZINC000300136689 411078541 /nfs/dbraw/zinc/07/85/41/411078541.db2.gz RLGWJVDBYMKCFX-MCIONIFRSA-N 2 0 237.391 1.345 20 0 BDADRP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCCOC1 ZINC000400918321 411162883 /nfs/dbraw/zinc/16/28/83/411162883.db2.gz DTZHLJIOOXYYER-RFQIPJPRSA-N 2 0 238.375 1.391 20 0 BDADRP CC1(C)COC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400919099 411163499 /nfs/dbraw/zinc/16/34/99/411163499.db2.gz IQLAGXSMMDQPIP-RVMXOQNASA-N 2 0 238.375 1.389 20 0 BDADRP C[C@H]([NH3+])CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000107788609 411139291 /nfs/dbraw/zinc/13/92/91/411139291.db2.gz JYMIIKSLHLEMOP-ZDUSSCGKSA-N 2 0 247.386 1.588 20 0 BDADRP CC(C)=CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400927320 411163676 /nfs/dbraw/zinc/16/36/76/411163676.db2.gz MQLAQJGMZGVPGZ-JHJVBQTASA-N 2 0 208.349 1.930 20 0 BDADRP [NH3+]C1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000400927083 411163682 /nfs/dbraw/zinc/16/36/82/411163682.db2.gz HQWGPNZRDNRTQQ-HRDMENRUSA-N 3 0 237.391 1.234 20 0 BDADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CCOC[C@@H]1C ZINC000651865783 411147857 /nfs/dbraw/zinc/14/78/57/411147857.db2.gz HMZWRVZMIUVIKS-UONOGXRCSA-N 2 0 242.407 1.979 20 0 BDADRP CC(C)C[N@H+](C)CCCNCc1cncn1C ZINC000651866046 411147968 /nfs/dbraw/zinc/14/79/68/411147968.db2.gz RVMKPXAIKAFUPQ-UHFFFAOYSA-N 2 0 238.379 1.488 20 0 BDADRP CC1([NH3+])CC[NH+](CC2CCOCC2)CC1 ZINC000309514740 411157495 /nfs/dbraw/zinc/15/74/95/411157495.db2.gz YISQKXFFUMQOCF-UHFFFAOYSA-N 2 0 212.337 1.226 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H]2CCO[C@H](C)C2)C1 ZINC000659989538 411159093 /nfs/dbraw/zinc/15/90/93/411159093.db2.gz NJWHIORCZXJDNB-MGPQQGTHSA-N 2 0 240.391 1.828 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@@H](C)O ZINC000401010822 411171135 /nfs/dbraw/zinc/17/11/35/411171135.db2.gz RPSJRYGVYOGUSK-VEGXAWMVSA-N 2 0 226.364 1.124 20 0 BDADRP CC(C)CNc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000116600290 411173387 /nfs/dbraw/zinc/17/33/87/411173387.db2.gz MYCNPPHJKZGYMD-UHFFFAOYSA-N 2 0 248.374 1.901 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cnn(C)c1 ZINC000401038174 411173723 /nfs/dbraw/zinc/17/37/23/411173723.db2.gz SEZUEAWCQNAJPN-FMCLSXCISA-N 2 0 248.374 1.459 20 0 BDADRP C1CC1N1CC[C@@H]([NH2+][C@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000401048377 411174937 /nfs/dbraw/zinc/17/49/37/411174937.db2.gz XBUAXGWCIGISCP-ZOBORPQBSA-N 2 0 249.402 1.201 20 0 BDADRP C(C[C@@H]1CCOC1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401072268 411176412 /nfs/dbraw/zinc/17/64/12/411176412.db2.gz BJSRHICKVFQIAR-YIYPIFLZSA-N 2 0 238.375 1.391 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1C1CC1 ZINC000659879976 411177652 /nfs/dbraw/zinc/17/76/52/411177652.db2.gz YYGSTXKBUTXNJP-KGLIPLIRSA-N 2 0 240.391 1.562 20 0 BDADRP C[C@](O)(C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000401172743 411179180 /nfs/dbraw/zinc/17/91/80/411179180.db2.gz XJRYDWSXAXMQAQ-WVWOOGAGSA-N 2 0 238.375 1.125 20 0 BDADRP CC[NH2+]Cc1cccc(NC(=O)[C@H](C)[NH+](C)C)c1 ZINC000124008118 411194741 /nfs/dbraw/zinc/19/47/41/411194741.db2.gz ONFFMNUTKDCQSU-NSHDSACASA-N 2 0 249.358 1.685 20 0 BDADRP C[C@H](Cc1ccccn1)[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000656193345 411200323 /nfs/dbraw/zinc/20/03/23/411200323.db2.gz HIKUJKPJEYSSQQ-MJBXVCDLSA-N 2 0 247.386 1.990 20 0 BDADRP CCC[N@@H+]1CC[C@H](CN[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000656198199 411202626 /nfs/dbraw/zinc/20/26/26/411202626.db2.gz MOSHYDYODLHDLB-HZSPNIEDSA-N 2 0 239.407 1.578 20 0 BDADRP Cc1cnc(CC[NH2+][C@H](C)C[C@H](C)[NH3+])c(C)c1 ZINC000656199657 411202963 /nfs/dbraw/zinc/20/29/63/411202963.db2.gz ACQOSOHBIYDALO-QWHCGFSZSA-N 2 0 235.375 1.956 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCc2ccc(CO)cc2)C1 ZINC000656198078 411203024 /nfs/dbraw/zinc/20/30/24/411203024.db2.gz HHMMVJJYTWILRE-GJZGRUSLSA-N 2 0 248.370 1.581 20 0 BDADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC2(C1)CCCCC2 ZINC000652338155 411204731 /nfs/dbraw/zinc/20/47/31/411204731.db2.gz GULMOMJZGQMOJZ-CYBMUJFWSA-N 2 0 240.391 1.613 20 0 BDADRP C[C@H](N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C1C[NH2+]C1 ZINC000656201462 411205963 /nfs/dbraw/zinc/20/59/63/411205963.db2.gz PKYZAKGYGITKMX-YUTCNCBUSA-N 2 0 237.391 1.201 20 0 BDADRP COCC1(C[NH2+][C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000656201794 411207369 /nfs/dbraw/zinc/20/73/69/411207369.db2.gz ZMYCYASFKWLMQQ-NXEZZACHSA-N 2 0 200.326 1.128 20 0 BDADRP CC[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652345541 411209130 /nfs/dbraw/zinc/20/91/30/411209130.db2.gz DVFOUTUUEUAMCP-QJPTWQEYSA-N 2 0 212.337 1.225 20 0 BDADRP CCC[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652345368 411209323 /nfs/dbraw/zinc/20/93/23/411209323.db2.gz ANFGABXSIWROHG-XQQFMLRXSA-N 2 0 226.364 1.615 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](CNc2ccccn2)C1 ZINC000656210655 411210421 /nfs/dbraw/zinc/21/04/21/411210421.db2.gz CVWLHJLZDAFORV-PHIMTYICSA-N 2 0 205.305 1.834 20 0 BDADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CCCF)C2)C1 ZINC000652349202 411211283 /nfs/dbraw/zinc/21/12/83/411211283.db2.gz FMEPZIPHOAGZQQ-JHJVBQTASA-N 2 0 244.354 1.564 20 0 BDADRP COCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351926 411211809 /nfs/dbraw/zinc/21/18/09/411211809.db2.gz JAJPFXLEXIQISU-KBPBESRZSA-N 2 0 240.391 1.864 20 0 BDADRP C[NH2+]CCCN1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000652356139 411214980 /nfs/dbraw/zinc/21/49/80/411214980.db2.gz TZPZQYKFJQJFMF-NWDGAFQWSA-N 2 0 213.369 1.045 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]CC[C@@H]2CCOC2)C1 ZINC000656268294 411222512 /nfs/dbraw/zinc/22/25/12/411222512.db2.gz BAYVSIHTKKVACB-UPJWGTAASA-N 2 0 226.364 1.343 20 0 BDADRP C[C@H]1CC[C@H]([NH2+]CCC[NH+](C)C)CS1 ZINC000655684772 411226649 /nfs/dbraw/zinc/22/66/49/411226649.db2.gz WLHXYZKQDYZNAS-QWRGUYRKSA-N 2 0 216.394 1.812 20 0 BDADRP COCCC1(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])CCC1 ZINC000422883623 411234039 /nfs/dbraw/zinc/23/40/39/411234039.db2.gz CNQXGPVJFDIBAV-NWDGAFQWSA-N 2 0 226.364 1.663 20 0 BDADRP CCOc1ccc(C[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000422905440 411234049 /nfs/dbraw/zinc/23/40/49/411234049.db2.gz SAKDRVYBAGNPEX-LLVKDONJSA-N 2 0 234.343 1.783 20 0 BDADRP CCOc1ccc(C[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000422905441 411234494 /nfs/dbraw/zinc/23/44/94/411234494.db2.gz SAKDRVYBAGNPEX-NSHDSACASA-N 2 0 234.343 1.783 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@@H]1CCC[C@@H]1[NH3+] ZINC000422903573 411235469 /nfs/dbraw/zinc/23/54/69/411235469.db2.gz FRQDHOBUBHHWKU-SDDRHHMPSA-N 2 0 213.369 1.186 20 0 BDADRP C[C@H](C[NH2+][C@H]1CCC[C@@H]1[NH3+])Oc1ccccc1 ZINC000422976617 411236203 /nfs/dbraw/zinc/23/62/03/411236203.db2.gz DHHZKIBLTMFQEI-XBFCOCLRSA-N 2 0 234.343 1.923 20 0 BDADRP CC[NH2+]CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000423232929 411237443 /nfs/dbraw/zinc/23/74/43/411237443.db2.gz JCUKAFPTIVPPHC-JHJVBQTASA-N 2 0 225.380 1.058 20 0 BDADRP OCCC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000400953608 411166570 /nfs/dbraw/zinc/16/65/70/411166570.db2.gz GGXXTNXBWNHQLB-YNEHKIRRSA-N 2 0 238.375 1.127 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400958991 411166775 /nfs/dbraw/zinc/16/67/75/411166775.db2.gz KLZBTGLBYUJWHD-XDQVBPFNSA-N 2 0 240.391 1.373 20 0 BDADRP C[C@H](CN[C@H]1CCCn2ccnc21)[N@H+](C)C1CC1 ZINC000655714381 411268133 /nfs/dbraw/zinc/26/81/33/411268133.db2.gz BUKOOBFPKAJOOJ-YPMHNXCESA-N 2 0 248.374 1.790 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C2(CO)CC2)[C@@H](C)C1 ZINC000658162418 411276121 /nfs/dbraw/zinc/27/61/21/411276121.db2.gz XJOFKCQGLSRNEP-AVGNSLFASA-N 2 0 240.391 1.467 20 0 BDADRP C[NH2+]CCC1CC[NH+](C[C@H]2CC[C@H](C)O2)CC1 ZINC000129384699 411280924 /nfs/dbraw/zinc/28/09/24/411280924.db2.gz CKXOZHFZKCAUAS-GXTWGEPZSA-N 2 0 240.391 1.875 20 0 BDADRP COc1cccc(C[N@H+](C)C[C@H]2CC[NH2+]C2)c1 ZINC000051890071 411284539 /nfs/dbraw/zinc/28/45/39/411284539.db2.gz CABARAVIMODVOI-ZDUSSCGKSA-N 2 0 234.343 1.737 20 0 BDADRP CC[N@H+](C[C@@H]1CC[NH2+]C1)C[C@@H]1CCCO1 ZINC000051889633 411284589 /nfs/dbraw/zinc/28/45/89/411284589.db2.gz JKPLZCDCHLMLPS-NEPJUHHUSA-N 2 0 212.337 1.097 20 0 BDADRP COCC[N@H+](CC(C)C)C[C@H]1CC[NH2+]C1 ZINC000051889720 411284875 /nfs/dbraw/zinc/28/48/75/411284875.db2.gz ZZXVLXXOIQHCBC-LBPRGKRZSA-N 2 0 214.353 1.200 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCc2ccoc2)CC[N@@H+]1C ZINC000658202069 411291257 /nfs/dbraw/zinc/29/12/57/411291257.db2.gz UPFZLGNAFRIDLK-WCQYABFASA-N 2 0 222.332 1.894 20 0 BDADRP COC[C@@H](C)[NH2+]C[C@@H]1CCN1C(C)(C)C ZINC000656676665 411323435 /nfs/dbraw/zinc/32/34/35/411323435.db2.gz PKFXQWQBEZYFGN-MNOVXSKESA-N 2 0 214.353 1.484 20 0 BDADRP CC1(C)CC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000336652741 167943058 /nfs/dbraw/zinc/94/30/58/167943058.db2.gz IWXWJWVFDDOJQV-VXGBXAGGSA-N 2 0 226.364 1.221 20 0 BDADRP CN(CC[NH2+]C(C)(C)C)CC(C)(C)[NH3+] ZINC000656785261 411358055 /nfs/dbraw/zinc/35/80/55/411358055.db2.gz MQIDNLYJNVOVSJ-UHFFFAOYSA-N 2 0 201.358 1.044 20 0 BDADRP Nc1cccc(C[NH2+]C2CCC([NH3+])CC2)c1 ZINC000656784620 411361764 /nfs/dbraw/zinc/36/17/64/411361764.db2.gz FWBOZDJETODNAJ-UHFFFAOYSA-N 2 0 219.332 1.628 20 0 BDADRP CC[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000403851424 411363426 /nfs/dbraw/zinc/36/34/26/411363426.db2.gz WRCSRLIGLWIKNJ-GXTWGEPZSA-N 2 0 240.391 1.875 20 0 BDADRP c1cc2c(cc1CN[C@H]1CCC[NH2+]C1)C[NH2+]CC2 ZINC000656786813 411365577 /nfs/dbraw/zinc/36/55/77/411365577.db2.gz QZMKSBVUPDOSCB-HNNXBMFYSA-N 2 0 245.370 1.174 20 0 BDADRP CC(C)C[C@@H]([NH3+])CNCC1([NH3+])CCCC1 ZINC000656788925 411368570 /nfs/dbraw/zinc/36/85/70/411368570.db2.gz GJJXHYFFJBMBHE-LLVKDONJSA-N 2 0 213.369 1.221 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCN1CCC(C)CC1 ZINC000336679876 168181714 /nfs/dbraw/zinc/18/17/14/168181714.db2.gz DIFPOXZSMHMUSH-CQSZACIVSA-N 2 0 241.423 1.825 20 0 BDADRP C[C@H]1CCC[N@H+](CC2CCOCC2)[C@@H]1CC[NH3+] ZINC000404299982 411389770 /nfs/dbraw/zinc/38/97/70/411389770.db2.gz PRSCZFWEAOYPPG-GXTWGEPZSA-N 2 0 240.391 1.862 20 0 BDADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ncc[nH]1 ZINC000273155034 168300634 /nfs/dbraw/zinc/30/06/34/168300634.db2.gz AJCMSXBCXTUGDN-VIFPVBQESA-N 2 0 238.335 1.193 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]2COC[C@@H]21 ZINC000657294440 411455741 /nfs/dbraw/zinc/45/57/41/411455741.db2.gz COYYEWGRHGBKEA-RDBSUJKOSA-N 2 0 238.375 1.582 20 0 BDADRP Cc1ncc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)n1C ZINC000657313379 411459998 /nfs/dbraw/zinc/45/99/98/411459998.db2.gz KVBSTYIUNZQZFJ-STQMWFEESA-N 2 0 248.374 1.445 20 0 BDADRP C[C@@H]1CCN(C(=O)CCC(C)(C)[NH3+])[C@H](C[NH3+])C1 ZINC000659378551 411392725 /nfs/dbraw/zinc/39/27/25/411392725.db2.gz AFVZFCXSQGDUCK-MNOVXSKESA-N 2 0 241.379 1.090 20 0 BDADRP C[C@@H]1CCC[N@H+](C[C@@H]2CCOC2)[C@H]1CC[NH3+] ZINC000404409877 411394262 /nfs/dbraw/zinc/39/42/62/411394262.db2.gz BYPHBYIXBKEEHY-AGIUHOORSA-N 2 0 226.364 1.472 20 0 BDADRP Cc1c[nH]c(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000657312629 411460801 /nfs/dbraw/zinc/46/08/01/411460801.db2.gz BNWJDBTWGHHFNT-NEPJUHHUSA-N 2 0 234.347 1.435 20 0 BDADRP CC(C)O[C@H]1CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000404503944 411399506 /nfs/dbraw/zinc/39/95/06/411399506.db2.gz FXKSPTMCYPSHLW-KBPBESRZSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]1C[N@H+](CCC[NH3+])CCc2ccccc21 ZINC000404831739 411408997 /nfs/dbraw/zinc/40/89/97/411408997.db2.gz YISMUUCLSIOICD-LBPRGKRZSA-N 2 0 218.344 1.997 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2nccs2)C1 ZINC000657182824 411416642 /nfs/dbraw/zinc/41/66/42/411416642.db2.gz GEUJRMWOBBYSOF-LLVKDONJSA-N 2 0 239.388 1.965 20 0 BDADRP C[NH2+]CCC[NH+]1CCC2(CC2(F)F)CC1 ZINC000405185866 411420202 /nfs/dbraw/zinc/42/02/02/411420202.db2.gz NPODCSOYWOJLFQ-UHFFFAOYSA-N 2 0 218.291 1.717 20 0 BDADRP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000414707567 411440727 /nfs/dbraw/zinc/44/07/27/411440727.db2.gz IAVBJZRVQBKPPF-TUAOUCFPSA-N 2 0 214.353 1.063 20 0 BDADRP CC1([NH3+])CC[NH+](C[C@H]2CCSC2)CC1 ZINC000306292867 411442553 /nfs/dbraw/zinc/44/25/53/411442553.db2.gz WGJJQHPABAWMRL-SNVBAGLBSA-N 2 0 214.378 1.553 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]CCC[NH+](CC)CC)CO1 ZINC000657285271 411442966 /nfs/dbraw/zinc/44/29/66/411442966.db2.gz AUWVIRJBRMBBOI-CHWSQXEVSA-N 2 0 228.380 1.875 20 0 BDADRP CCO[C@@H]1C[N@H+](C[C@@H]2CCSC2)C[C@H]1C[NH3+] ZINC000405846846 411443915 /nfs/dbraw/zinc/44/39/15/411443915.db2.gz HXUPCDFBPDAEFE-QJPTWQEYSA-N 2 0 244.404 1.035 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+](C)C2(CN)CCC2)CC[NH2+]1 ZINC000414789444 411445974 /nfs/dbraw/zinc/44/59/74/411445974.db2.gz OJOMCCAJGSYOFL-VXGBXAGGSA-N 2 0 225.380 1.188 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2C)CCO1 ZINC000414944450 411472985 /nfs/dbraw/zinc/47/29/85/411472985.db2.gz PTNQNYGHCJSZAU-CRWXNKLISA-N 2 0 240.391 1.778 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]CCC2CC[NH+](C)CC2)CO1 ZINC000657348347 411474885 /nfs/dbraw/zinc/47/48/85/411474885.db2.gz SGHKFCTUVFNCQN-UONOGXRCSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H](CO)CCC[NH2+]Cc1cnc2n1CCC2 ZINC000657418591 411502213 /nfs/dbraw/zinc/50/22/13/411502213.db2.gz ARSSMHPGLNRJPO-NSHDSACASA-N 2 0 237.347 1.328 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@H]1CCOC(C)(C)C1 ZINC000069890698 411505777 /nfs/dbraw/zinc/50/57/77/411505777.db2.gz YNDSRYPAOPNYLM-LBPRGKRZSA-N 2 0 228.380 1.875 20 0 BDADRP CC[C@@]1([NH2+]Cc2cnc(C)n2C)CCOC1 ZINC000657448708 411510389 /nfs/dbraw/zinc/51/03/89/411510389.db2.gz WKGYOLXXLSEDBH-GFCCVEGCSA-N 2 0 223.320 1.387 20 0 BDADRP CCN1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000250239382 169977772 /nfs/dbraw/zinc/97/77/72/169977772.db2.gz HCIYRYRJQMSJJL-AGIUHOORSA-N 2 0 225.380 1.188 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCCn3ccnc32)C1 ZINC000655803456 411518210 /nfs/dbraw/zinc/51/82/10/411518210.db2.gz PUQKUSKFSJXXDY-FRRDWIJNSA-N 2 0 248.374 1.648 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@@]1(C)CCCO1 ZINC000655803794 411518333 /nfs/dbraw/zinc/51/83/33/411518333.db2.gz DOMGNGAYMYUEBM-IGQOVBAYSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]1CCCOC1 ZINC000655804879 411519221 /nfs/dbraw/zinc/51/92/21/411519221.db2.gz DVNJHQIEPZPHSK-XDQVBPFNSA-N 2 0 240.391 1.731 20 0 BDADRP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805010 411519305 /nfs/dbraw/zinc/51/93/05/411519305.db2.gz IFHLSCXPIFFHKB-JLLWLGSASA-N 2 0 236.363 1.709 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000655804122 411519782 /nfs/dbraw/zinc/51/97/82/411519782.db2.gz QPFZFPCXPGUHMV-YIYPIFLZSA-N 2 0 240.391 1.874 20 0 BDADRP COC[C@H](CC(C)C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806444 411520475 /nfs/dbraw/zinc/52/04/75/411520475.db2.gz VYNGXHARCJHLAR-MELADBBJSA-N 2 0 242.407 1.977 20 0 BDADRP C=Cn1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cn1 ZINC000655824277 411526323 /nfs/dbraw/zinc/52/63/23/411526323.db2.gz HNHCACPXQHNYCE-BJHJDKERSA-N 2 0 234.347 1.413 20 0 BDADRP COCC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000655817702 411528379 /nfs/dbraw/zinc/52/83/79/411528379.db2.gz ODAFBAYGPCGBAQ-QWHCGFSZSA-N 2 0 238.375 1.629 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCCO)C[C@@H]1C ZINC000336677385 170010018 /nfs/dbraw/zinc/01/00/18/170010018.db2.gz NSXMXWMKSTTZJL-QWHCGFSZSA-N 2 0 228.380 1.564 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cnn(C)c2)C1 ZINC000044498821 170010341 /nfs/dbraw/zinc/01/03/41/170010341.db2.gz KWFUEKYMXSIHIN-RYUDHWBXSA-N 2 0 236.363 1.413 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CC(O)(CC)CC)[C@H](C)C1 ZINC000305103747 170013056 /nfs/dbraw/zinc/01/30/56/170013056.db2.gz CFGCAGZOQYCFBP-CHWSQXEVSA-N 2 0 242.407 1.857 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000309186124 170016314 /nfs/dbraw/zinc/01/63/14/170016314.db2.gz BHZDAIMCYRTYIR-QWHCGFSZSA-N 3 0 227.396 1.435 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@H]2CCCOC2)C1 ZINC000356855249 170017401 /nfs/dbraw/zinc/01/74/01/170017401.db2.gz UZYCBNVVYWJZDO-MCIONIFRSA-N 2 0 240.391 1.733 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@H](C)OC)[C@@H](C)C1 ZINC000336777492 170020695 /nfs/dbraw/zinc/02/06/95/170020695.db2.gz IQJZUEDFBXPHOY-AVGNSLFASA-N 2 0 228.380 1.731 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)CCO)[C@H](C)C1 ZINC000121333117 170022960 /nfs/dbraw/zinc/02/29/60/170022960.db2.gz AXHAZJCMCNBXRN-UTUOFQBUSA-N 2 0 214.353 1.077 20 0 BDADRP CC[N@@H+]1C[C@@H](C)[C@H](NCC[NH+](C)C(C)C)C1 ZINC000336674664 170031487 /nfs/dbraw/zinc/03/14/87/170031487.db2.gz AXDSBBBDLCYYMM-CHWSQXEVSA-N 2 0 227.396 1.256 20 0 BDADRP CCOC1CC([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000124461007 170328922 /nfs/dbraw/zinc/32/89/22/170328922.db2.gz CPOQWYICTNULKT-LKSINWNRSA-N 2 0 238.375 1.628 20 0 BDADRP CCOCC(C)(C)C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000343926452 170352509 /nfs/dbraw/zinc/35/25/09/170352509.db2.gz IZSRVRLMSYLRBF-STQMWFEESA-N 2 0 242.407 1.979 20 0 BDADRP CCOCC(C)(C)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000339374461 170355323 /nfs/dbraw/zinc/35/53/23/170355323.db2.gz BUWBHAVLAJQEOV-LBPRGKRZSA-N 2 0 228.380 1.875 20 0 BDADRP CCOCC[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000126718608 170389030 /nfs/dbraw/zinc/38/90/30/170389030.db2.gz DTENRBXFJOFKFT-LLVKDONJSA-N 2 0 202.342 1.328 20 0 BDADRP CC1=C[C@H](C)CN(C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000660460059 411588263 /nfs/dbraw/zinc/58/82/63/411588263.db2.gz QBZWAFBAPCCAON-JSGCOSHPSA-N 2 0 240.391 1.586 20 0 BDADRP Cc1nc(CC[N@@H+]2CCn3cncc3C2)cs1 ZINC000660581321 411602771 /nfs/dbraw/zinc/60/27/71/411602771.db2.gz AXOJBSVEAJLXRU-UHFFFAOYSA-N 2 0 248.355 1.706 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+]([C@H]3COC(C)(C)C3)C2)C1 ZINC000660616124 411607913 /nfs/dbraw/zinc/60/79/13/411607913.db2.gz GYRYAQIMWJEQFC-OCCSQVGLSA-N 2 0 238.375 1.582 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+](CC3CC=CC3)C2)C1 ZINC000660616505 411608138 /nfs/dbraw/zinc/60/81/38/411608138.db2.gz MBHSSUBLZPBLLQ-AWEZNQCLSA-N 2 0 220.360 1.980 20 0 BDADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCC(C)(C)O)C2 ZINC000660661006 411614585 /nfs/dbraw/zinc/61/45/85/411614585.db2.gz YNBXKNQRWDZPKR-AWEZNQCLSA-N 2 0 240.391 1.565 20 0 BDADRP C[NH2+]Cc1cccc(NC[C@]23C[C@H]2C[NH2+]C3)c1 ZINC000663494405 411672646 /nfs/dbraw/zinc/67/26/46/411672646.db2.gz OIJPMRMHYROLHD-GXTWGEPZSA-N 2 0 231.343 1.427 20 0 BDADRP C[NH2+]Cc1cccc(NC[C@@]23C[C@@H]2C[NH2+]C3)c1 ZINC000663494407 411672865 /nfs/dbraw/zinc/67/28/65/411672865.db2.gz OIJPMRMHYROLHD-OCCSQVGLSA-N 2 0 231.343 1.427 20 0 BDADRP C[C@@H]1C[C@@H](C[N@H+](C)CC2=CCSC2)CC[NH2+]1 ZINC000663506236 411687257 /nfs/dbraw/zinc/68/72/57/411687257.db2.gz KPLVPXJUJLOLJM-NEPJUHHUSA-N 2 0 240.416 1.980 20 0 BDADRP CCn1nccc1C[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000663514244 411695871 /nfs/dbraw/zinc/69/58/71/411695871.db2.gz POGAEZUSRVENGR-NWDGAFQWSA-N 2 0 236.363 1.381 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)C(C)(C)CC ZINC000661231736 411737199 /nfs/dbraw/zinc/73/71/99/411737199.db2.gz PZHGLRVBOIBNJD-NEPJUHHUSA-N 2 0 230.396 1.713 20 0 BDADRP OC[C@H]([NH2+]CCC[NH+]1CCCCC1)C1CCC1 ZINC000661156136 411721679 /nfs/dbraw/zinc/72/16/79/411721679.db2.gz WERQEZRFAGLGRV-AWEZNQCLSA-N 2 0 240.391 1.613 20 0 BDADRP OC[C@@H]([NH2+]CCC[NH+]1CCCCC1)C1CCC1 ZINC000661156137 411722664 /nfs/dbraw/zinc/72/26/64/411722664.db2.gz WERQEZRFAGLGRV-CQSZACIVSA-N 2 0 240.391 1.613 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000661699680 411844861 /nfs/dbraw/zinc/84/48/61/411844861.db2.gz DSYTYWJEVIIYDR-UONOGXRCSA-N 2 0 240.391 1.687 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC2(COC2)C1 ZINC000662073769 411973330 /nfs/dbraw/zinc/97/33/30/411973330.db2.gz LYRRDXHZGINRJJ-GFCCVEGCSA-N 2 0 224.348 1.193 20 0 BDADRP CC[C@H](C)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662154583 412007875 /nfs/dbraw/zinc/00/78/75/412007875.db2.gz XWJKJPPHAQBTSO-JSGCOSHPSA-N 2 0 240.391 1.564 20 0 BDADRP C[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)[C@H]1CCO ZINC000662216814 412028753 /nfs/dbraw/zinc/02/87/53/412028753.db2.gz PJXVCJOMOMHHKN-OCCSQVGLSA-N 2 0 240.391 1.469 20 0 BDADRP Cc1cc(C[NH+]2CCC(C[NH3+])CC2)nc(C)n1 ZINC000662234195 412031591 /nfs/dbraw/zinc/03/15/91/412031591.db2.gz JNLKESAUENARJK-UHFFFAOYSA-N 2 0 234.347 1.264 20 0 BDADRP CO[C@@H](C[NH+]1CCC(C[NH3+])CC1)C1CCCC1 ZINC000662233276 412032618 /nfs/dbraw/zinc/03/26/18/412032618.db2.gz CVQNUVONBPFBBW-AWEZNQCLSA-N 2 0 240.391 1.862 20 0 BDADRP C[NH2+]C1CC[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000662243713 412039097 /nfs/dbraw/zinc/03/90/97/412039097.db2.gz JGDVLBHMCMZKKI-ZSBIGDGJSA-N 2 0 208.349 1.716 20 0 BDADRP Cc1cc(CN2CCC[C@@H](C)[C@H]2C[NH3+])nc(C)n1 ZINC000662245021 412040828 /nfs/dbraw/zinc/04/08/28/412040828.db2.gz LJAVVTPSEAKPKC-QMTHXVAHSA-N 2 0 248.374 1.653 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](CCO[C@H]2CC2(F)F)CC1 ZINC000662247573 412044101 /nfs/dbraw/zinc/04/41/01/412044101.db2.gz XUSOMAKGOMLCSS-ONGXEEELSA-N 2 0 248.317 1.470 20 0 BDADRP [NH3+]C[C@H]1CCCN1Cc1cccc2c1CC[NH2+]C2 ZINC000662247384 412044201 /nfs/dbraw/zinc/04/42/01/412044201.db2.gz ZTJBEKMAZRZBIW-CQSZACIVSA-N 3 0 245.370 1.255 20 0 BDADRP C[C@@H]1CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)[C@@H]1C ZINC000662256973 412051688 /nfs/dbraw/zinc/05/16/88/412051688.db2.gz KVIBUHXAYIEEIV-JHJVBQTASA-N 2 0 238.375 1.628 20 0 BDADRP Cc1cc(CN2CC[C@@](C)(C[NH3+])C2)nc(C)n1 ZINC000662271898 412062838 /nfs/dbraw/zinc/06/28/38/412062838.db2.gz JUBCLZUUZCZLSK-ZDUSSCGKSA-N 2 0 234.347 1.264 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)CCO1 ZINC000233952005 171086393 /nfs/dbraw/zinc/08/63/93/171086393.db2.gz BMEWYWSUQLJXTR-YNEHKIRRSA-N 2 0 226.364 1.485 20 0 BDADRP Cc1cc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)ncn1 ZINC000662273050 412066050 /nfs/dbraw/zinc/06/60/50/412066050.db2.gz ROCAAIXXNROMSB-LBPRGKRZSA-N 2 0 234.347 1.346 20 0 BDADRP CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662280442 412070532 /nfs/dbraw/zinc/07/05/32/412070532.db2.gz DNPZAIXKCHWEHI-SDDRHHMPSA-N 2 0 226.364 1.532 20 0 BDADRP CC[C@@](C)(O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000335918559 171181071 /nfs/dbraw/zinc/18/10/71/171181071.db2.gz ZLPHDWKELSQZAS-CHWSQXEVSA-N 2 0 226.364 1.175 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCC2(C[NH2+]C2)O1)c1ccccn1 ZINC000662282275 412072059 /nfs/dbraw/zinc/07/20/59/412072059.db2.gz OFYUBMMEGROGOZ-VXGBXAGGSA-N 2 0 247.342 1.253 20 0 BDADRP [NH3+]C[C@H]1C[N@H+](CCCC2CCC2)CCCO1 ZINC000662281784 412073651 /nfs/dbraw/zinc/07/36/51/412073651.db2.gz OXMCVFOSGWLUNH-ZDUSSCGKSA-N 2 0 226.364 1.616 20 0 BDADRP c1cc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)no1 ZINC000662295612 412084802 /nfs/dbraw/zinc/08/48/02/412084802.db2.gz VSIUZFACTQDNTQ-ZDUSSCGKSA-N 2 0 249.358 1.886 20 0 BDADRP CC[C@H](C)[NH+]1CCN(CCCCCC[NH3+])CC1 ZINC000055083503 171318841 /nfs/dbraw/zinc/31/88/41/171318841.db2.gz BKBJRGKGRNRZKE-AWEZNQCLSA-N 2 0 241.423 1.922 20 0 BDADRP CC[C@H](C)[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000234012465 171340489 /nfs/dbraw/zinc/34/04/89/171340489.db2.gz FEBSIAYEXUMVKO-NSHDSACASA-N 2 0 214.353 1.391 20 0 BDADRP CC[C@@H](C)[N@H+](CC)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662290191 412079690 /nfs/dbraw/zinc/07/96/90/412079690.db2.gz MSBCVIWVCLKBIG-NEPJUHHUSA-N 2 0 226.364 1.628 20 0 BDADRP CC[C@H](C)[C@@H]1CCCC[N@@H+]1CCOCC[NH3+] ZINC000357089303 171381174 /nfs/dbraw/zinc/38/11/74/171381174.db2.gz PKPPPFDZIXZXAC-STQMWFEESA-N 2 0 228.380 1.862 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCC[C@@H](C)[C@@H]1CCO ZINC000662303107 412088352 /nfs/dbraw/zinc/08/83/52/412088352.db2.gz SPXMLBWJDPVAKO-NEPJUHHUSA-N 2 0 214.353 1.079 20 0 BDADRP C[C@@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)[C@H]1CCO ZINC000662303318 412088500 /nfs/dbraw/zinc/08/85/00/412088500.db2.gz VXSWZRCFZRJPRO-RDBSUJKOSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@H](CO)[C@H]1CCCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000662301739 412088890 /nfs/dbraw/zinc/08/88/90/412088890.db2.gz SCKLWUSGUBCDLI-MGPQQGTHSA-N 2 0 240.391 1.469 20 0 BDADRP c1ccc(O[C@@H]2CC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000662316143 412095746 /nfs/dbraw/zinc/09/57/46/412095746.db2.gz IWMMCSJADQHLDN-UKRRQHHQSA-N 2 0 246.354 1.749 20 0 BDADRP CC1C[C@H]2CC[C@@H](C1)[N@H+]2CCN1CC[NH2+]CC1 ZINC000662320170 412101191 /nfs/dbraw/zinc/10/11/91/412101191.db2.gz RTWILRIZWBIYMJ-AGUYFDCRSA-N 2 0 237.391 1.155 20 0 BDADRP C[N@@H+](CC1=CCSC1)C[C@@H]1CC[NH2+]C1 ZINC000662327729 412104963 /nfs/dbraw/zinc/10/49/63/412104963.db2.gz UHIYGSYIWLOEPN-SNVBAGLBSA-N 2 0 212.362 1.201 20 0 BDADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)CC1=CCSC1 ZINC000662326808 412105241 /nfs/dbraw/zinc/10/52/41/412105241.db2.gz CNXPFSLJWGCYOM-GFCCVEGCSA-N 2 0 240.416 1.981 20 0 BDADRP C[N@H+](C[C@@H]1CC1(C)C)C[C@H]1CCC[NH2+]C1 ZINC000662332785 412106229 /nfs/dbraw/zinc/10/62/29/412106229.db2.gz XJBNUDGDBHHUOR-RYUDHWBXSA-N 2 0 210.365 1.964 20 0 BDADRP CC[C@@H]([NH2+]C)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000662374532 412129308 /nfs/dbraw/zinc/12/93/08/412129308.db2.gz JEDCVUSDZRIHDZ-CYBMUJFWSA-N 2 0 249.358 1.685 20 0 BDADRP COC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])C1CCOCC1 ZINC000665236381 412176038 /nfs/dbraw/zinc/17/60/38/412176038.db2.gz LNSSRMWDYIHQJW-LOWVWBTDSA-N 2 0 244.379 1.143 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]C[C@@H]1CCCO1 ZINC000665236020 412176693 /nfs/dbraw/zinc/17/66/93/412176693.db2.gz FQVQUWJJORXZPC-SDDRHHMPSA-N 2 0 212.337 1.415 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000665236815 412176707 /nfs/dbraw/zinc/17/67/07/412176707.db2.gz VBTIMUMDIFLIKX-TUAOUCFPSA-N 2 0 227.396 1.575 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCO[C@@H]1CC1(F)F ZINC000665244144 412186232 /nfs/dbraw/zinc/18/62/32/412186232.db2.gz HDHKLOPPKCUOKI-NXEZZACHSA-N 2 0 236.306 1.518 20 0 BDADRP [NH3+]C1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCC1 ZINC000665246902 412190486 /nfs/dbraw/zinc/19/04/86/412190486.db2.gz QURAGOLNUHJWDY-FOSCPWQOSA-N 2 0 223.364 1.131 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NCC1([NH3+])CCCC1 ZINC000665249601 412194160 /nfs/dbraw/zinc/19/41/60/412194160.db2.gz UEVOTDXOURIQAR-YPMHNXCESA-N 2 0 237.391 1.330 20 0 BDADRP C[C@@H]([NH2+]CC1([NH3+])CCCC1)C1CCOCC1 ZINC000665248918 412194711 /nfs/dbraw/zinc/19/47/11/412194711.db2.gz FVWMPJUDNDUFIA-LLVKDONJSA-N 2 0 226.364 1.663 20 0 BDADRP [NH3+]C1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCC1 ZINC000665248553 412195312 /nfs/dbraw/zinc/19/53/12/412195312.db2.gz ZDKHAGIQYFHNSX-CHWSQXEVSA-N 2 0 237.391 1.474 20 0 BDADRP C[C@@H]([NH2+]CCC(C)(C)F)[C@@H]1CCC[NH2+]1 ZINC000665261536 412204780 /nfs/dbraw/zinc/20/47/80/412204780.db2.gz FNDCHSRSOBPMRP-ZJUUUORDSA-N 2 0 202.317 1.855 20 0 BDADRP CC[C@@H](O)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000665262168 412205181 /nfs/dbraw/zinc/20/51/81/412205181.db2.gz VTIFRUBFSBJSOY-MROQNXINSA-N 2 0 226.364 1.268 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1ccoc1 ZINC000665262948 412205256 /nfs/dbraw/zinc/20/52/56/412205256.db2.gz CKSSJDGEDRLIQG-CHWSQXEVSA-N 2 0 222.332 1.929 20 0 BDADRP Cn1ncc(C2CC2)c1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000665264957 412207119 /nfs/dbraw/zinc/20/71/19/412207119.db2.gz MTXUQEAGKXBEEF-NEPJUHHUSA-N 2 0 248.374 1.657 20 0 BDADRP C[C@]1(C[NH2+][C@H]2CCC[C@@H]2[NH3+])CC1(F)F ZINC000665265545 412209114 /nfs/dbraw/zinc/20/91/14/412209114.db2.gz XYJFVEZHJRMXKH-XHNCKOQMSA-N 2 0 204.264 1.501 20 0 BDADRP C[C@]1(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1(F)F ZINC000665266624 412210962 /nfs/dbraw/zinc/21/09/62/412210962.db2.gz GJUMOKHHEGVGMH-LPEHRKFASA-N 2 0 218.291 1.891 20 0 BDADRP COC1CC(CC[NH2+][C@H]2CCC[C@@H]2[NH3+])C1 ZINC000665229931 412167996 /nfs/dbraw/zinc/16/79/96/412167996.db2.gz GPCSECNEXUXJJN-QQFIATSDSA-N 2 0 212.337 1.271 20 0 BDADRP COC1CC(CC[NH2+][C@H](C)C[C@H](C)[NH3+])C1 ZINC000665229771 412168363 /nfs/dbraw/zinc/16/83/63/412168363.db2.gz CHOBACVEXJFRDT-DMOGRIERSA-N 2 0 214.353 1.517 20 0 BDADRP COC1CC(CC[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000665230002 412168899 /nfs/dbraw/zinc/16/88/99/412168899.db2.gz HIAUORZUBYUDAK-RYSNWHEDSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H](N[C@@H]1CC[N@@H+](C(C)(C)C)C1)C1C[NH2+]C1 ZINC000665235827 412174090 /nfs/dbraw/zinc/17/40/90/412174090.db2.gz ARQDEEPOWXUDJL-CMPLNLGQSA-N 2 0 225.380 1.057 20 0 BDADRP CC[C@@H]([NH2+]C)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000662683398 412269418 /nfs/dbraw/zinc/26/94/18/412269418.db2.gz NRWIUUUKVSGLMH-CYBMUJFWSA-N 2 0 249.358 1.685 20 0 BDADRP CC(C)[C@H]([NH3+])CCNC(=O)c1ccc(C[NH3+])cc1 ZINC000662730332 412286509 /nfs/dbraw/zinc/28/65/09/412286509.db2.gz CUQSHXOUTIMPIT-CYBMUJFWSA-N 2 0 249.358 1.249 20 0 BDADRP CCCN1CC[C@@H]([NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000665274360 412218012 /nfs/dbraw/zinc/21/80/12/412218012.db2.gz OUZHMVSEENWTDE-JXQTWKCFSA-N 2 0 239.407 1.578 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CCC[C@H]1[NH3+])C1CCCC1 ZINC000665275438 412219814 /nfs/dbraw/zinc/21/98/14/412219814.db2.gz KUEFUDXVMMIKDA-JHJVBQTASA-N 2 0 226.364 1.661 20 0 BDADRP C[C@@H](CCC[NH3+])NC(=O)c1cccc2c1C[NH2+]C2 ZINC000662567183 412222309 /nfs/dbraw/zinc/22/23/09/412222309.db2.gz CABWBUUTLWMBAT-JTQLQIEISA-N 2 0 247.342 1.147 20 0 BDADRP COCC[C@H]1CCC[C@@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665279825 412222441 /nfs/dbraw/zinc/22/24/41/412222441.db2.gz NBDNXCJTUQCTBT-DKNRTOFZSA-N 2 0 238.375 1.533 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000665280777 412224987 /nfs/dbraw/zinc/22/49/87/412224987.db2.gz LCPYQMJHPMWJRU-GXTWGEPZSA-N 3 0 241.423 1.680 20 0 BDADRP CC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)[C@H]1C[C@@H]1C ZINC000665280277 412225244 /nfs/dbraw/zinc/22/52/44/412225244.db2.gz XSOGQHZCQNNQKY-OBXMVCJZSA-N 2 0 208.349 1.763 20 0 BDADRP CC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)[C@@H]1C[C@H]1C ZINC000665280278 412225440 /nfs/dbraw/zinc/22/54/40/412225440.db2.gz XSOGQHZCQNNQKY-OLBCXOKPSA-N 2 0 208.349 1.763 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000665282097 412226787 /nfs/dbraw/zinc/22/67/87/412226787.db2.gz QOXFXXIJYPJRBA-UTUOFQBUSA-N 2 0 213.369 1.090 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCOC[C@@H]1C ZINC000665282165 412227415 /nfs/dbraw/zinc/22/74/15/412227415.db2.gz SCABOLDPWVCIBK-QJPTWQEYSA-N 2 0 214.353 1.374 20 0 BDADRP CC[C@@H]([NH2+]C)C(=O)NCCC[N@H+](C)CC(C)C ZINC000662580259 412227538 /nfs/dbraw/zinc/22/75/38/412227538.db2.gz FQOIVMGWDZPGLC-GFCCVEGCSA-N 2 0 243.395 1.079 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000665283659 412228705 /nfs/dbraw/zinc/22/87/05/412228705.db2.gz RXOHXYOVJJVJNY-AGIUHOORSA-N 2 0 227.396 1.609 20 0 BDADRP C[NH2+]Cc1ccccc1CNC(=O)C[NH2+]C(C)C ZINC000662582239 412229126 /nfs/dbraw/zinc/22/91/26/412229126.db2.gz CBPXMSBCSPPBCK-UHFFFAOYSA-N 2 0 249.358 1.020 20 0 BDADRP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000665298485 412246775 /nfs/dbraw/zinc/24/67/75/412246775.db2.gz WWAGENOBAOBNPH-HBNTYKKESA-N 2 0 200.326 1.142 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1cccc2c1C[NH2+]C2 ZINC000662818842 412309768 /nfs/dbraw/zinc/30/97/68/412309768.db2.gz BFGOTCWGSAASSF-NXEZZACHSA-N 2 0 247.342 1.145 20 0 BDADRP CC[C@H](C(=O)N(C)CC(C)(C)[NH3+])[NH+](CC)CC ZINC000662845094 412320161 /nfs/dbraw/zinc/32/01/61/412320161.db2.gz KHWRXSKMYAIILI-LLVKDONJSA-N 2 0 243.395 1.303 20 0 BDADRP C[NH2+]C[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000662966126 412357323 /nfs/dbraw/zinc/35/73/23/412357323.db2.gz PVMSDAOHOPOFCI-LLVKDONJSA-N 2 0 249.358 1.086 20 0 BDADRP C[NH2+]C[C@@H](C)NC(=O)CC1(C[NH3+])CCCCC1 ZINC000662964664 412357482 /nfs/dbraw/zinc/35/74/82/412357482.db2.gz DSTSPJWAYBSWDP-LLVKDONJSA-N 2 0 241.379 1.010 20 0 BDADRP CCc1nn(C)cc1C[NH2+][C@H]1CN(C)C[C@H]1C ZINC000356291911 172041339 /nfs/dbraw/zinc/04/13/39/172041339.db2.gz WLVQLCWGDDDHID-MFKMUULPSA-N 2 0 236.363 1.022 20 0 BDADRP CCn1cc(C[NH+]2CCC(CC[NH3+])CC2)cn1 ZINC000050540140 172162157 /nfs/dbraw/zinc/16/21/57/172162157.db2.gz AKRBBXOWYIWGJP-UHFFFAOYSA-N 2 0 236.363 1.464 20 0 BDADRP C[NH+](C)C(C)(C)CNC(=O)C1([NH3+])CCCCC1 ZINC000040807213 172392989 /nfs/dbraw/zinc/39/29/89/172392989.db2.gz DNWDVACJULFKIG-UHFFFAOYSA-N 2 0 241.379 1.104 20 0 BDADRP C[NH+](C)C(C)(C)CNC(=O)CCCCCC[NH3+] ZINC000040807211 172393998 /nfs/dbraw/zinc/39/39/98/172393998.db2.gz AQNAZPYVBNIQJC-UHFFFAOYSA-N 2 0 243.395 1.352 20 0 BDADRP C[NH+](C)CCCC[NH2+]Cc1cccnc1 ZINC000045598331 172428788 /nfs/dbraw/zinc/42/87/88/172428788.db2.gz QPKGNSLVTUMPFW-UHFFFAOYSA-N 2 0 207.321 1.513 20 0 BDADRP C[N@H+](CCC[NH3+])Cc1ccc2c(c1)OCO2 ZINC000049818899 172702815 /nfs/dbraw/zinc/70/28/15/172702815.db2.gz LVIZSYJHJCYDPG-UHFFFAOYSA-N 2 0 222.288 1.196 20 0 BDADRP C[NH+]1CCC(C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000044518368 172984730 /nfs/dbraw/zinc/98/47/30/172984730.db2.gz ZZRMZBHJGYUKAR-LBPRGKRZSA-N 2 0 212.337 1.097 20 0 BDADRP CN1CCCC[C@H]1C[NH2+]C1CCC([NH3+])CC1 ZINC000054243907 173010635 /nfs/dbraw/zinc/01/06/35/173010635.db2.gz QOIQVVAXLZURSL-BPCQOVAHSA-N 2 0 225.380 1.330 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000336714271 173027363 /nfs/dbraw/zinc/02/73/63/173027363.db2.gz QNFIFKCQABDPAX-DGAVXFQQSA-N 2 0 238.375 1.173 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1C(C)(C)O ZINC000245613607 173028290 /nfs/dbraw/zinc/02/82/90/173028290.db2.gz LZWPCFPQKRSIJL-CHWSQXEVSA-N 2 0 240.391 1.706 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1CCO ZINC000336680735 173029242 /nfs/dbraw/zinc/02/92/42/173029242.db2.gz XQQZGXYBGQFKEC-OLZOCXBDSA-N 2 0 226.364 1.318 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CNC(=[NH2+])Nc1ccccc1 ZINC000226330020 173030324 /nfs/dbraw/zinc/03/03/24/173030324.db2.gz IJEHEOYFJHUPKV-GFCCVEGCSA-N 2 0 232.331 1.717 20 0 BDADRP CN1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000226017471 173034789 /nfs/dbraw/zinc/03/47/89/173034789.db2.gz XTCSEBDHTWAFJC-JHJVBQTASA-N 2 0 225.380 1.188 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@](C)(O)CC1 ZINC000336543062 173051052 /nfs/dbraw/zinc/05/10/52/173051052.db2.gz FMLQYTZQVRCBPA-KBPBESRZSA-N 2 0 240.391 1.708 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CCCCO)[C@H]2CCC[C@@H]21 ZINC000375849202 173151921 /nfs/dbraw/zinc/15/19/21/173151921.db2.gz GGDLRTYASSENRF-AGIUHOORSA-N 2 0 226.364 1.221 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCOC2)[C@@H]2CCC[C@H]21 ZINC000353393275 173152876 /nfs/dbraw/zinc/15/28/76/173152876.db2.gz IMXIESDUTQLIEH-XDQVBPFNSA-N 2 0 238.375 1.485 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CCN2CCC2)[C@H]2CCC[C@H]21 ZINC000353640279 173153243 /nfs/dbraw/zinc/15/32/43/173153243.db2.gz BYDQQCAFTLHADS-HZSPNIEDSA-N 2 0 237.391 1.155 20 0 BDADRP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccn2)C1 ZINC000334153029 173163682 /nfs/dbraw/zinc/16/36/82/173163682.db2.gz NHJUILMIEKSZHM-HIFRSBDPSA-N 2 0 245.370 1.998 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+](CCc3ccccn3)C2)C1 ZINC000292166362 173168306 /nfs/dbraw/zinc/16/83/06/173168306.db2.gz PDHLPKPGKMQLAD-HNNXBMFYSA-N 2 0 245.370 1.652 20 0 BDADRP C[NH2+]CC(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000237236691 173330746 /nfs/dbraw/zinc/33/07/46/173330746.db2.gz MFCRGYMABFZZDB-ZDUSSCGKSA-N 2 0 249.358 1.145 20 0 BDADRP C[NH2+]CC1CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000224610920 173338778 /nfs/dbraw/zinc/33/87/78/173338778.db2.gz NIOQWEYAPINELG-LBPRGKRZSA-N 2 0 228.405 1.671 20 0 BDADRP C[NH2+]CCC1CC[NH+](CCOC(C)C)CC1 ZINC000069730593 173342943 /nfs/dbraw/zinc/34/29/43/173342943.db2.gz KMTPJMCWUYSSAS-UHFFFAOYSA-N 2 0 228.380 1.733 20 0 BDADRP C[NH2+]CCC1CC[NH+](Cc2cc(C)no2)CC1 ZINC000070189632 173343131 /nfs/dbraw/zinc/34/31/31/173343131.db2.gz MLBZIJBISYKUGR-UHFFFAOYSA-N 2 0 237.347 1.805 20 0 BDADRP C[NH2+]CCCC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000037610798 173344283 /nfs/dbraw/zinc/34/42/83/173344283.db2.gz NPUFSAMDBSQRDF-LBPRGKRZSA-N 2 0 243.395 1.079 20 0 BDADRP C[NH2+]CCCC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000237212245 173345507 /nfs/dbraw/zinc/34/55/07/173345507.db2.gz YZLYLBMJOKFZNT-GFCCVEGCSA-N 2 0 241.379 1.010 20 0 BDADRP C[NH2+]C[C@@H](C)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000092133240 173363480 /nfs/dbraw/zinc/36/34/80/173363480.db2.gz FSIMQWRVXMPKFU-LLVKDONJSA-N 2 0 249.358 1.542 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@H]2CCCOC2)C1 ZINC000250744786 173368322 /nfs/dbraw/zinc/36/83/22/173368322.db2.gz NQYSYHOCEJEYKG-QWHCGFSZSA-N 2 0 226.364 1.344 20 0 BDADRP C[NH2+]C[C@@H]1CCCN1CCCOC(C)C ZINC000309533739 173368920 /nfs/dbraw/zinc/36/89/20/173368920.db2.gz WPNWOWBDZOUISA-LBPRGKRZSA-N 2 0 214.353 1.485 20 0 BDADRP C[NH2+]C[C@H](C)C(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000375965856 173375737 /nfs/dbraw/zinc/37/57/37/173375737.db2.gz TZOOYNONUDPQCM-JTQLQIEISA-N 2 0 247.342 1.126 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)CCOC)C1 ZINC000045044520 173379038 /nfs/dbraw/zinc/37/90/38/173379038.db2.gz VCAIRZKDYJJCIL-VXGBXAGGSA-N 2 0 214.353 1.343 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)[C@H](C)[C@@H](C)[NH3+])cc1 ZINC000295207352 173388973 /nfs/dbraw/zinc/38/89/73/173388973.db2.gz LCIWLLONEYKFSS-NXEZZACHSA-N 2 0 235.331 1.328 20 0 BDADRP COC1CC([NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000336763116 174018519 /nfs/dbraw/zinc/01/85/19/174018519.db2.gz LYZODQQINQNOAQ-CQLXCSJHSA-N 2 0 226.364 1.626 20 0 BDADRP COCC(C)(C)C[NH2+]CC(C)(C)C[NH+](C)C ZINC000336775237 174071302 /nfs/dbraw/zinc/07/13/02/174071302.db2.gz YKNRNPAHERWXBB-UHFFFAOYSA-N 2 0 230.396 1.836 20 0 BDADRP COCCCC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000368318365 174194386 /nfs/dbraw/zinc/19/43/86/174194386.db2.gz RMERTSDLHACKRZ-CYBMUJFWSA-N 2 0 226.364 1.441 20 0 BDADRP COCCC[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339439192 174232371 /nfs/dbraw/zinc/23/23/71/174232371.db2.gz ZPBXXHYYWNWUHR-CYBMUJFWSA-N 2 0 226.364 1.441 20 0 BDADRP COCCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369599845 174234530 /nfs/dbraw/zinc/23/45/30/174234530.db2.gz GRXZOJHLEXZNLE-MGPQQGTHSA-N 2 0 238.375 1.439 20 0 BDADRP COCC[N@H+](C)CCC[NH2+]C[C@@H]1C[C@H]1C ZINC000309036353 174274870 /nfs/dbraw/zinc/27/48/70/174274870.db2.gz IJUQWDSEHOUDRV-NEPJUHHUSA-N 2 0 214.353 1.200 20 0 BDADRP COCC[N@H+](C)CCCNc1cc[nH+]c(C)c1 ZINC000190167466 174275832 /nfs/dbraw/zinc/27/58/32/174275832.db2.gz XQWSQGKUIALQQT-UHFFFAOYSA-N 2 0 237.347 1.770 20 0 BDADRP COCCOC[C@H](C)[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000358179078 174363382 /nfs/dbraw/zinc/36/33/82/174363382.db2.gz QXDDADCXFCIXKM-YNEHKIRRSA-N 2 0 244.379 1.110 20 0 BDADRP COCC[C@@H](C)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000300351793 174378960 /nfs/dbraw/zinc/37/89/60/174378960.db2.gz DOIOEUIEBAHAKO-GHMZBOCLSA-N 2 0 200.326 1.082 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCN1C ZINC000337516178 174396711 /nfs/dbraw/zinc/39/67/11/174396711.db2.gz LZQZTLQHENGRMN-IHRRRGAJSA-N 2 0 240.391 1.875 20 0 BDADRP COC[C@H](C)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374180273 174539624 /nfs/dbraw/zinc/53/96/24/174539624.db2.gz ZKYHHUVHBYXYMF-ZDUSSCGKSA-N 2 0 240.391 1.829 20 0 BDADRP COC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)C1CC1 ZINC000125684834 174578263 /nfs/dbraw/zinc/57/82/63/174578263.db2.gz PUABTRZWUGFMST-AWEZNQCLSA-N 2 0 240.391 1.874 20 0 BDADRP COc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH3+])cc1 ZINC000309343155 175188570 /nfs/dbraw/zinc/18/85/70/175188570.db2.gz LNSXJPADLLOVNN-MNOVXSKESA-N 2 0 222.332 1.941 20 0 BDADRP COc1ccc([C@H](C)[NH2+]CCC[NH3+])cc1 ZINC000037713229 175188646 /nfs/dbraw/zinc/18/86/46/175188646.db2.gz DTKQRZHJUCQVLG-JTQLQIEISA-N 2 0 208.305 1.695 20 0 BDADRP COc1cccc([C@@H](C)[NH2+]CCC[NH3+])c1 ZINC000037713234 175286471 /nfs/dbraw/zinc/28/64/71/175286471.db2.gz KRGSERPBJSBPSZ-SNVBAGLBSA-N 2 0 208.305 1.695 20 0 BDADRP COc1cccc([C@H](C)[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000090320504 175292589 /nfs/dbraw/zinc/29/25/89/175292589.db2.gz STAWXCCJSNNQBM-FPMFFAJLSA-N 2 0 246.354 1.907 20 0 BDADRP COc1ccccc1C[C@H](C)[NH2+]C[C@H](C)C[NH3+] ZINC000336713155 175333953 /nfs/dbraw/zinc/33/39/53/175333953.db2.gz OFLDRIRUZXMPLC-NEPJUHHUSA-N 2 0 236.359 1.811 20 0 BDADRP COc1ccccc1OCCN(C)[C@@H](C)C[NH3+] ZINC000135296046 175340383 /nfs/dbraw/zinc/34/03/83/175340383.db2.gz LMKFGNKKAFGUNB-NSHDSACASA-N 2 0 238.331 1.353 20 0 BDADRP C[C@@H]([NH3+])CCC(=O)NCCC[NH+]1CCCCC1 ZINC000070314931 175803991 /nfs/dbraw/zinc/80/39/91/175803991.db2.gz UBBNGWJVDXMUEK-GFCCVEGCSA-N 2 0 241.379 1.106 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000038096068 175884018 /nfs/dbraw/zinc/88/40/18/175884018.db2.gz SGRNFKFOTQFZAA-TZMCWYRMSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H](c1ccccn1)[NH+]1CCC(C[NH3+])CC1 ZINC000044512020 176028052 /nfs/dbraw/zinc/02/80/52/176028052.db2.gz MGZIJCKKVCJBKB-NSHDSACASA-N 2 0 219.332 1.813 20 0 BDADRP C[C@@H]1CCCC[N@@H+]1CCCNC1=[NH+]CCCN1 ZINC000303254763 176072043 /nfs/dbraw/zinc/07/20/43/176072043.db2.gz FAQHFKDWWBUCNV-GFCCVEGCSA-N 2 0 238.379 1.190 20 0 BDADRP C[C@@H]1CC[N@H+](C)CCN1C[C@@H]1CCC[NH2+]C1 ZINC000336363471 176166069 /nfs/dbraw/zinc/16/60/69/176166069.db2.gz DULVOPPJNQKNIZ-CHWSQXEVSA-N 2 0 225.380 1.012 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NCCC[NH+]1CCCC1 ZINC000128626291 176268180 /nfs/dbraw/zinc/26/81/80/176268180.db2.gz LDRCCSUBWPXCCT-KGLIPLIRSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@@H]1CN(C)CC[C@@H]1[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000353663275 176269561 /nfs/dbraw/zinc/26/95/61/176269561.db2.gz UEBMNZBGPLWAAI-UTUOFQBUSA-N 2 0 248.374 1.197 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(CO)CCC1 ZINC000336781016 176269855 /nfs/dbraw/zinc/26/98/55/176269855.db2.gz SZLIKELGLHQLOS-NEPJUHHUSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H](O)CC(C)(C)C ZINC000361526002 176271215 /nfs/dbraw/zinc/27/12/15/176271215.db2.gz OTHKSSYUBNBKJQ-JHJVBQTASA-N 2 0 242.407 1.713 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C1CCC(O)CC1 ZINC000036907811 176278065 /nfs/dbraw/zinc/27/80/65/176278065.db2.gz UWRPUIFLBSUQPP-KPHYFBGPSA-N 2 0 240.391 1.608 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCC(C)(C)O ZINC000336680921 176278679 /nfs/dbraw/zinc/27/86/79/176278679.db2.gz XVHATPDBINZPTJ-IJLUTSLNSA-N 2 0 228.380 1.466 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000038044772 176279236 /nfs/dbraw/zinc/27/92/36/176279236.db2.gz MQDUWQXQEPACQP-MQYQWHSLSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC(C)(C)CCO ZINC000300412671 176279319 /nfs/dbraw/zinc/27/93/19/176279319.db2.gz UXMYIHMHGIMOHV-UPJWGTAASA-N 2 0 242.407 1.713 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CC(C)(C)O1 ZINC000251672314 176293716 /nfs/dbraw/zinc/29/37/16/176293716.db2.gz LRWULZNGZSAONH-VXGBXAGGSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CCS1 ZINC000123471005 176294802 /nfs/dbraw/zinc/29/48/02/176294802.db2.gz LDPMAQJAZRIYLB-MNOVXSKESA-N 2 0 214.378 1.423 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CCCO1 ZINC000061918603 176297895 /nfs/dbraw/zinc/29/78/95/176297895.db2.gz GZZXPBBUQKJQTN-VXGBXAGGSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC[C@H]1CC[NH2+]C1 ZINC000251543385 176323631 /nfs/dbraw/zinc/32/36/31/176323631.db2.gz AWCQOOOYMZRYMO-MGPQQGTHSA-N 2 0 237.391 1.155 20 0 BDADRP C[C@@H]1C[C@@H](C)C[NH+](C[C@H]2CCC[NH2+]C2)C1 ZINC000251720081 176361412 /nfs/dbraw/zinc/36/14/12/176361412.db2.gz BZNDIWKLEZLXFA-UPJWGTAASA-N 2 0 210.365 1.964 20 0 BDADRP C[C@@H]1C[C@@H](C[N@H+](C)CCOCC2CC2)CC[NH2+]1 ZINC000235379137 176367316 /nfs/dbraw/zinc/36/73/16/176367316.db2.gz BFNXLOKAPBPOMT-OCCSQVGLSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccccn1 ZINC000122297203 176367852 /nfs/dbraw/zinc/36/78/52/176367852.db2.gz BWUZLEDGYPBGCW-MNOVXSKESA-N 2 0 205.305 1.251 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCc1cccnc1 ZINC000049712943 176370931 /nfs/dbraw/zinc/37/09/31/176370931.db2.gz UJLRIBFFXZPVDK-YPMHNXCESA-N 2 0 219.332 1.436 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCSCCCO)CC[N@@H+]1C ZINC000151180288 176376963 /nfs/dbraw/zinc/37/69/63/176376963.db2.gz ZDAVWRCUUHIYIW-NEPJUHHUSA-N 2 0 246.420 1.174 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCOC1)C1CC[NH+](C)CC1 ZINC000037738546 176869699 /nfs/dbraw/zinc/86/96/99/176869699.db2.gz GZRSINVWFQUXSF-NWDGAFQWSA-N 2 0 226.364 1.343 20 0 BDADRP C[C@H]1CCC[N@H+](CCC2CC[NH2+]CC2)[C@H]1CN ZINC000359209681 177097493 /nfs/dbraw/zinc/09/74/93/177097493.db2.gz DFIYGYWQIBNRAC-JSGCOSHPSA-N 2 0 239.407 1.435 20 0 BDADRP C[C@H]1CC[NH2+]C[C@H]1NCC1([NH3+])CCCCCC1 ZINC000335061913 177175429 /nfs/dbraw/zinc/17/54/29/177175429.db2.gz ZLEQOIOTNAZYFG-QWHCGFSZSA-N 2 0 239.407 1.626 20 0 BDADRP C[C@H](CN[C@@H]1CC[N@H+](C)C[C@@H]1C)C[NH+](C)C ZINC000336737790 177233646 /nfs/dbraw/zinc/23/36/46/177233646.db2.gz JRNWDGQNTHPWOD-FRRDWIJNSA-N 2 0 227.396 1.114 20 0 BDADRP C[C@H]1C[N@H+](CCCCCC[NH3+])CCO1 ZINC000020072040 177248073 /nfs/dbraw/zinc/24/80/73/177248073.db2.gz NHHOKGTZTMXXSZ-NSHDSACASA-N 2 0 200.326 1.226 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCS[C@@H](C)C2)CC[NH2+]1 ZINC000235369249 177257815 /nfs/dbraw/zinc/25/78/15/177257815.db2.gz OIQXNOOHCWVUKV-GRYCIOLGSA-N 2 0 228.405 1.812 20 0 BDADRP C[C@@H]1C[C@@H](C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH2+]1 ZINC000235382329 177259873 /nfs/dbraw/zinc/25/98/73/177259873.db2.gz JLKIDSWYXTVNJX-NDBYEHHHSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccc3c(c2)CCO3)CC[C@H]1[NH3+] ZINC000251619769 177262975 /nfs/dbraw/zinc/26/29/75/177262975.db2.gz DWOCUSGNTOAVIR-SMDDNHRTSA-N 2 0 246.354 1.791 20 0 BDADRP C[C@H]1COCC[C@@H]1[NH2+]Cc1cccc2nccn21 ZINC000277966268 177295115 /nfs/dbraw/zinc/29/51/15/177295115.db2.gz SHXPIJZFHJWVBQ-AAEUAGOBSA-N 2 0 245.326 1.849 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)[C@@H](C)CO1 ZINC000251581787 177302232 /nfs/dbraw/zinc/30/22/32/177302232.db2.gz FBMCHMWCWZBNHS-QJPTWQEYSA-N 2 0 212.337 1.095 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1=CCCOC1 ZINC000348222940 177330405 /nfs/dbraw/zinc/33/04/05/177330405.db2.gz WSLQDOZHSFCYCA-MBNYWOFBSA-N 2 0 238.375 1.651 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCOCC1CC1 ZINC000300409612 177332066 /nfs/dbraw/zinc/33/20/66/177332066.db2.gz AUISGBRQZWNARA-MBNYWOFBSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@H](Cc1cnccn1)[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000360859754 177333152 /nfs/dbraw/zinc/33/31/52/177333152.db2.gz OEKSEDNANPZBDU-AGIUHOORSA-N 2 0 248.374 1.480 20 0 BDADRP C[C@H]1C[C@H](NC(=O)c2ccc(C[NH3+])cc2)CC[NH2+]1 ZINC000336318471 177368301 /nfs/dbraw/zinc/36/83/01/177368301.db2.gz BGBMMGGDMGTWKW-GXFFZTMASA-N 2 0 247.342 1.016 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCNc2ccccn2)CC[N@@H+]1C ZINC000268996054 177369078 /nfs/dbraw/zinc/36/90/78/177369078.db2.gz NRGJTDSLZHJIJB-QWHCGFSZSA-N 2 0 248.374 1.566 20 0 BDADRP COCC1(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)CCC1 ZINC000400491940 226345136 /nfs/dbraw/zinc/34/51/36/226345136.db2.gz ZNEWWMCLJDQVCZ-RYUDHWBXSA-N 2 0 226.364 1.533 20 0 BDADRP Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])nc1 ZINC000400881670 226352263 /nfs/dbraw/zinc/35/22/63/226352263.db2.gz YLBKXFNOCYBESO-OCCSQVGLSA-N 2 0 233.359 1.997 20 0 BDADRP C[C@H]1C[N@H+](CCCc2cncn2C)CC[C@H]1[NH3+] ZINC000314012297 487656761 /nfs/dbraw/zinc/65/67/61/487656761.db2.gz NVYKCWYPSUMGSX-WCQYABFASA-N 2 0 236.363 1.022 20 0 BDADRP C[C@H]([NH3+])CN1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000307661858 229217646 /nfs/dbraw/zinc/21/76/46/229217646.db2.gz VKKQNTABBKSMGE-KBPBESRZSA-N 2 0 247.386 1.540 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)CCC[NH3+] ZINC000308656737 229238605 /nfs/dbraw/zinc/23/86/05/229238605.db2.gz NWJYBFXXADQONH-HBNTYKKESA-N 2 0 200.326 1.271 20 0 BDADRP C[C@H]([NH3+])CC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000637861409 487680406 /nfs/dbraw/zinc/68/04/06/487680406.db2.gz SMLWIAPYGCQSBT-UWVGGRQHSA-N 2 0 235.331 1.060 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOCC1CC1 ZINC000227259419 487685067 /nfs/dbraw/zinc/68/50/67/487685067.db2.gz XVZJPGUJZPNMRF-PWSUYJOCSA-N 2 0 212.337 1.225 20 0 BDADRP [NH3+]CC[C@H]1CCCC[N@@H+]1C[C@@H]1CCCCO1 ZINC000082594397 487687066 /nfs/dbraw/zinc/68/70/66/487687066.db2.gz CODWDSUDFZCFFS-OLZOCXBDSA-N 2 0 226.364 1.759 20 0 BDADRP Cc1cncc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000228619564 487695819 /nfs/dbraw/zinc/69/58/19/487695819.db2.gz LJPKMSLTVZIHCI-GFCCVEGCSA-N 2 0 233.359 1.949 20 0 BDADRP Cc1cncc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000228623013 487696383 /nfs/dbraw/zinc/69/63/83/487696383.db2.gz CDBBWFNSSBSNCQ-OCCSQVGLSA-N 2 0 233.359 1.807 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000397646346 262814186 /nfs/dbraw/zinc/81/41/86/262814186.db2.gz UUGKCVLZUSHPLP-USZNOCQGSA-N 2 0 212.337 1.128 20 0 BDADRP FCCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000088026320 487699714 /nfs/dbraw/zinc/69/97/14/487699714.db2.gz SOPUWIHJXOQWAU-RYUDHWBXSA-N 2 0 214.328 1.810 20 0 BDADRP C[C@H](CC[NH3+])[NH2+]C[C@H]1CCOc2ccccc21 ZINC000136136996 487712120 /nfs/dbraw/zinc/71/21/20/487712120.db2.gz IZFXBBNIOQLDSR-VXGBXAGGSA-N 2 0 234.343 1.880 20 0 BDADRP COC(=O)[C@@H]1CCC[C@H]([N@H+](C)C[C@@H](C)C[NH3+])C1 ZINC001172604057 974882411 /nfs/dbraw/zinc/88/24/11/974882411.db2.gz RLANPTHOCBWHRP-TUAOUCFPSA-N 2 0 242.363 1.245 20 0 BDADRP COCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250166165 487727904 /nfs/dbraw/zinc/72/79/04/487727904.db2.gz IINWDMPZYBKYRN-VXGBXAGGSA-N 2 0 212.337 1.097 20 0 BDADRP COCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250166161 487728701 /nfs/dbraw/zinc/72/87/01/487728701.db2.gz IINWDMPZYBKYRN-NWDGAFQWSA-N 2 0 212.337 1.097 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CCCO2)C1 ZINC000250682090 487738973 /nfs/dbraw/zinc/73/89/73/487738973.db2.gz YVIHUZFQQRTMJU-IJLUTSLNSA-N 2 0 212.337 1.415 20 0 BDADRP CCOC1CC[NH+](C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000233782472 487743561 /nfs/dbraw/zinc/74/35/61/487743561.db2.gz LUGGUGMBKRTBFT-CHWSQXEVSA-N 2 0 240.391 1.875 20 0 BDADRP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)C1CC1 ZINC000675509998 487743717 /nfs/dbraw/zinc/74/37/17/487743717.db2.gz LGVWLPJDEHBXCC-KBPBESRZSA-N 2 0 240.391 1.564 20 0 BDADRP C([C@H]1CC[NH2+]C1)[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000251340257 487754697 /nfs/dbraw/zinc/75/46/97/487754697.db2.gz QALHXJGVPDMIGJ-YNEHKIRRSA-N 2 0 208.349 1.860 20 0 BDADRP CO[C@H](C)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000223868718 487798482 /nfs/dbraw/zinc/79/84/82/487798482.db2.gz PILAFLIPZYKKBG-MXWKQRLJSA-N 2 0 200.326 1.128 20 0 BDADRP CCC[C@@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000309256098 487808674 /nfs/dbraw/zinc/80/86/74/487808674.db2.gz OGMNRBBAFKUGAK-OLZOCXBDSA-N 2 0 230.396 1.808 20 0 BDADRP CC[NH+](CC)CCCCNC(=O)CC(C)(C)[NH3+] ZINC000178704843 487817117 /nfs/dbraw/zinc/81/71/17/487817117.db2.gz GFKFXBJFJVGHIM-UHFFFAOYSA-N 2 0 243.395 1.352 20 0 BDADRP [NH3+]CCC[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000414710754 487818384 /nfs/dbraw/zinc/81/83/84/487818384.db2.gz QJLXVSNHTBSJOL-UHFFFAOYSA-N 2 0 208.280 1.753 20 0 BDADRP CC(C)([NH2+]CCC[NH3+])C(=O)NCC1CCCC1 ZINC000414710644 487819125 /nfs/dbraw/zinc/81/91/25/487819125.db2.gz QCCGKGPSLNOSJV-UHFFFAOYSA-N 2 0 241.379 1.010 20 0 BDADRP Cc1cnc(C2CC[NH+](CCC[NH3+])CC2)s1 ZINC000414733762 487820309 /nfs/dbraw/zinc/82/03/09/487820309.db2.gz CWZDHNTXRMLCOM-UHFFFAOYSA-N 2 0 239.388 1.980 20 0 BDADRP Cc1ccc(C2CC[NH+](CCC[NH3+])CC2)cn1 ZINC000414744650 487821553 /nfs/dbraw/zinc/82/15/53/487821553.db2.gz OQNAYNJKOCQAAP-UHFFFAOYSA-N 2 0 233.359 1.918 20 0 BDADRP [NH3+]CCC[NH2+]CCOc1ncccc1Cl ZINC000415082231 487836403 /nfs/dbraw/zinc/83/64/03/487836403.db2.gz CUSKMZOLPICMEV-UHFFFAOYSA-N 2 0 229.711 1.052 20 0 BDADRP CC(C)(C)[C@@H](CN)[NH2+]CCCCCCC[NH3+] ZINC000842475569 588029520 /nfs/dbraw/zinc/02/95/20/588029520.db2.gz UFXYOFJVVPSGFR-GFCCVEGCSA-N 2 0 229.412 1.859 20 0 BDADRP Cc1cccc(CC[NH2+]C[C@H]([NH3+])CC(C)C)n1 ZINC000415105599 487837808 /nfs/dbraw/zinc/83/78/08/487837808.db2.gz MRNOZQYVBUFRDV-CYBMUJFWSA-N 2 0 235.375 1.896 20 0 BDADRP C[NH2+]C[C@H]1CCCN1CCCCCC[NH3+] ZINC000846217692 588260243 /nfs/dbraw/zinc/26/02/43/588260243.db2.gz MBFKBOITGVYJKN-GFCCVEGCSA-N 3 0 213.369 1.189 20 0 BDADRP CC[C@H](C)NC(=[NH2+])NC[C@H](C)C[NH+](C)C ZINC000849030006 588442347 /nfs/dbraw/zinc/44/23/47/588442347.db2.gz CLJOYGKJFYJLMF-UWVGGRQHSA-N 2 0 214.357 1.097 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400393455 528818814 /nfs/dbraw/zinc/81/88/14/528818814.db2.gz JIQDITIBCFBEGR-QWHCGFSZSA-N 2 0 227.396 1.447 20 0 BDADRP COCCC[C@H](C)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873257633 590012032 /nfs/dbraw/zinc/01/20/32/590012032.db2.gz UQPNOOAPQHLDRV-DCAQKATOSA-N 2 0 200.326 1.128 20 0 BDADRP [NH3+]CCC[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000666705193 487863145 /nfs/dbraw/zinc/86/31/45/487863145.db2.gz KADMRYOFHIKCND-GFCCVEGCSA-N 2 0 212.337 1.084 20 0 BDADRP CC[N@@H+]1CC[C@H](NC[C@@H]2CCCC[NH2+]2)[C@H](C)C1 ZINC000666770364 487876797 /nfs/dbraw/zinc/87/67/97/487876797.db2.gz WECUXOKXTGYLNL-RDBSUJKOSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]Cc1nccc2ccccc21 ZINC000666825448 487886750 /nfs/dbraw/zinc/88/67/50/487886750.db2.gz FYOKDSZFVXLGHQ-NSHDSACASA-N 2 0 229.327 1.919 20 0 BDADRP Cc1ccncc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666954414 487892563 /nfs/dbraw/zinc/89/25/63/487892563.db2.gz WFDQRFUWPVSUTL-ZDUSSCGKSA-N 2 0 231.343 1.622 20 0 BDADRP CCCC[C@H](COC)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666953569 487915018 /nfs/dbraw/zinc/91/50/18/487915018.db2.gz BHNDKZIOOHDADC-CHWSQXEVSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]1CCC[N@H+](CC[C@H]2CCOC2)[C@H]1CC[NH3+] ZINC000404296088 487917461 /nfs/dbraw/zinc/91/74/61/487917461.db2.gz DAKVIQLEJWDDIF-RDBSUJKOSA-N 2 0 240.391 1.862 20 0 BDADRP COCC[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404296311 487917067 /nfs/dbraw/zinc/91/70/67/487917067.db2.gz NZYGJVJYSQZYJF-WDEREUQCSA-N 2 0 200.326 1.082 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666993938 487923795 /nfs/dbraw/zinc/92/37/95/487923795.db2.gz UQMGBKHQZTVZQV-STQMWFEESA-N 2 0 239.407 1.624 20 0 BDADRP CCOC[C@@H](C)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995650 487924508 /nfs/dbraw/zinc/92/45/08/487924508.db2.gz VJJBDOIODONTIF-NEPJUHHUSA-N 2 0 226.364 1.676 20 0 BDADRP C[NH+](C)CCC[NH2+]CC1CCSCC1 ZINC000125789411 487928067 /nfs/dbraw/zinc/92/80/67/487928067.db2.gz SVPYVTRDJRZZBV-UHFFFAOYSA-N 2 0 216.394 1.671 20 0 BDADRP CN(CC[NH3+])Cc1cccc2cnccc21 ZINC000667043275 487933682 /nfs/dbraw/zinc/93/36/82/487933682.db2.gz KCUNKAQENTUDCI-UHFFFAOYSA-N 2 0 215.300 1.625 20 0 BDADRP CC(C)CCOCC[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000049266390 487944871 /nfs/dbraw/zinc/94/48/71/487944871.db2.gz JHFIHKPHDIKBAV-CYBMUJFWSA-N 2 0 228.380 1.720 20 0 BDADRP CC(C)CCOCC[N@H+](C)CCC[NH3+] ZINC000049265145 487944619 /nfs/dbraw/zinc/94/46/19/487944619.db2.gz MCAPOOHRULRZQW-UHFFFAOYSA-N 2 0 202.342 1.330 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@H](C)C[C@@H](C)[NH3+] ZINC000564973823 322985352 /nfs/dbraw/zinc/98/53/52/322985352.db2.gz UUTJUTVTMPRPDL-MXWKQRLJSA-N 2 0 201.358 1.075 20 0 BDADRP C[C@H]1C[C@@H](CO)CC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000561793725 323007044 /nfs/dbraw/zinc/00/70/44/323007044.db2.gz KADOROJGTGXWLV-IHRRRGAJSA-N 2 0 240.391 1.564 20 0 BDADRP C[NH+](C)CCN(CC[NH+](C)C)CCC(C)(C)C ZINC000561974304 323009646 /nfs/dbraw/zinc/00/96/46/323009646.db2.gz RRFFETACVSHORE-UHFFFAOYSA-N 2 0 243.439 1.848 20 0 BDADRP CCC(C)(C)[C@@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000562564978 323024676 /nfs/dbraw/zinc/02/46/76/323024676.db2.gz CWENJGGDRZJINT-GFCCVEGCSA-N 2 0 242.407 1.857 20 0 BDADRP O=C(C[NH2+]C1CC1)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000562805010 323031046 /nfs/dbraw/zinc/03/10/46/323031046.db2.gz QXDYILWHAHLUEC-UHFFFAOYSA-N 2 0 245.326 1.023 20 0 BDADRP CC[N@@H+]1CC[C@H](N(C)Cc2ccno2)[C@@H](C)C1 ZINC000569874461 323043356 /nfs/dbraw/zinc/04/33/56/323043356.db2.gz IHWSDQMJMXTUNR-AAEUAGOBSA-N 2 0 237.347 1.837 20 0 BDADRP C[NH+](C)CC1(C[NH2+]CC2(O)CCC2)CCCC1 ZINC000570039324 323048065 /nfs/dbraw/zinc/04/80/65/323048065.db2.gz PWWPEXABBCYUPZ-UHFFFAOYSA-N 2 0 240.391 1.613 20 0 BDADRP COC[C@H](C)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000570264930 323054202 /nfs/dbraw/zinc/05/42/02/323054202.db2.gz JCFQWOGVBBALHG-OLZOCXBDSA-N 2 0 226.364 1.297 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@]2(C)CCC[NH2+]2)cc1 ZINC000570264435 323054289 /nfs/dbraw/zinc/05/42/89/323054289.db2.gz JBKUUMWTYJPHSG-YGRLFVJLSA-N 2 0 247.342 1.787 20 0 BDADRP COCC1(CC[NH2+][C@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000570802297 323070740 /nfs/dbraw/zinc/07/07/40/323070740.db2.gz FLDASGQJXYYAMN-VXGBXAGGSA-N 2 0 226.364 1.533 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+]CC[C@H]2CCOC2)cc1 ZINC000570801294 323070802 /nfs/dbraw/zinc/07/08/02/323070802.db2.gz ISKMUCFQCLMYSC-AWEZNQCLSA-N 2 0 234.343 1.662 20 0 BDADRP [NH3+]CCC1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000570805029 323070975 /nfs/dbraw/zinc/07/09/75/323070975.db2.gz CWLWCJRZGCMQJH-ZDUSSCGKSA-N 3 0 225.380 1.047 20 0 BDADRP C[C@](O)(C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)C(F)(F)F ZINC000570942298 323076173 /nfs/dbraw/zinc/07/61/73/323076173.db2.gz PQIIRSKLPHGSGP-YIZRAAEISA-N 2 0 240.269 1.159 20 0 BDADRP CCn1cc(CN(C)C[C@@]2(C)CC[NH2+]C2)cn1 ZINC000563136675 323094863 /nfs/dbraw/zinc/09/48/63/323094863.db2.gz GMRLAAOPLNVLMK-ZDUSSCGKSA-N 2 0 236.363 1.334 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccnc(N)c2)C1 ZINC000563154088 323095678 /nfs/dbraw/zinc/09/56/78/323095678.db2.gz FVBLLNLFYITXJJ-PWSUYJOCSA-N 2 0 234.347 1.053 20 0 BDADRP CC(=O)NCCC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000394764599 323108218 /nfs/dbraw/zinc/10/82/18/323108218.db2.gz PFWGAZVJQPKTNL-KGLIPLIRSA-N 2 0 247.342 1.247 20 0 BDADRP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)COC)C1 ZINC000246245015 323128019 /nfs/dbraw/zinc/12/80/19/323128019.db2.gz SEYQZIOBZCKIPZ-CHWSQXEVSA-N 2 0 228.380 1.685 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([N@@H+]2CCC[C@@]3(CCOC3)C2)C1 ZINC000563550489 323129967 /nfs/dbraw/zinc/12/99/67/323129967.db2.gz ZZLVZLJMRMCSGH-MGPQQGTHSA-N 2 0 238.375 1.759 20 0 BDADRP CCN(C)C[C@@H](O)C[N@@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000571103604 323135547 /nfs/dbraw/zinc/13/55/47/323135547.db2.gz FBJPZWLWNHAPQF-QWHCGFSZSA-N 2 0 242.407 1.667 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C1 ZINC000571225896 323138706 /nfs/dbraw/zinc/13/87/06/323138706.db2.gz DTNCPASGLWPPQV-CHWSQXEVSA-N 3 0 244.342 1.694 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3c[nH]nc3C2)C1 ZINC000571582001 323148563 /nfs/dbraw/zinc/14/85/63/323148563.db2.gz WRGTWFGPFRXIJT-IJLUTSLNSA-N 2 0 234.347 1.127 20 0 BDADRP COC(=O)CCC[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397263379 323152473 /nfs/dbraw/zinc/15/24/73/323152473.db2.gz IECPHKZERVVSHC-WOPDTQHZSA-N 2 0 242.363 1.245 20 0 BDADRP CCN1CCC[C@H]1C[NH2+]CC1(F)CC1 ZINC000308627718 323176391 /nfs/dbraw/zinc/17/63/91/323176391.db2.gz XMMNBMWNKMEAFN-JTQLQIEISA-N 2 0 200.301 1.562 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCOCC1CCC1 ZINC000563804494 323178339 /nfs/dbraw/zinc/17/83/39/323178339.db2.gz POOKHLCXPHPGGE-RYUDHWBXSA-N 2 0 212.337 1.273 20 0 BDADRP CC(C)[C@H](C(=O)NCC[N@H+](C)C(C)C)[C@H](C)[NH3+] ZINC000399377392 323205260 /nfs/dbraw/zinc/20/52/60/323205260.db2.gz BREXNHKAEMDZRS-RYUDHWBXSA-N 2 0 243.395 1.062 20 0 BDADRP CC(C)OC1CCC([NH2+][C@@H](C)C2C[NH2+]C2)CC1 ZINC000530216235 323216931 /nfs/dbraw/zinc/21/69/31/323216931.db2.gz OLPUWQJNAUTGTJ-XGNXJENSSA-N 2 0 240.391 1.920 20 0 BDADRP O[C@H](C[NH2+]C(C1CC1)C1CC1)C[NH+]1CCCC1 ZINC000042238395 323246862 /nfs/dbraw/zinc/24/68/62/323246862.db2.gz MTGRYLJRFZCJRH-CYBMUJFWSA-N 2 0 238.375 1.221 20 0 BDADRP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C1CCC1 ZINC000324767545 323280860 /nfs/dbraw/zinc/28/08/60/323280860.db2.gz BURJMLSQAFKFQX-ZIAGYGMSSA-N 2 0 240.391 1.611 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C)CC1 ZINC000309265656 323337437 /nfs/dbraw/zinc/33/74/37/323337437.db2.gz QBZXEXLZBSAJMX-OLZOCXBDSA-N 2 0 228.380 1.421 20 0 BDADRP C[C@@H](NCC1=CC[N@H+](C)CC1)[C@@H]1CCCC[NH2+]1 ZINC000392272984 323376861 /nfs/dbraw/zinc/37/68/61/323376861.db2.gz FBXCSYIPIUSSIP-OCCSQVGLSA-N 2 0 237.391 1.369 20 0 BDADRP CO[C@@H](C)[C@@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000393770304 323386840 /nfs/dbraw/zinc/38/68/40/323386840.db2.gz AFCQOKFFSYZBSG-IALDZJHCSA-N 2 0 228.380 1.872 20 0 BDADRP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)[C@H]1CC12CC2 ZINC000527845852 323704165 /nfs/dbraw/zinc/70/41/65/323704165.db2.gz AKHWNXNAPDCSMO-YNEHKIRRSA-N 2 0 238.375 1.221 20 0 BDADRP C[NH2+]CCCNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000121327146 324011558 /nfs/dbraw/zinc/01/15/58/324011558.db2.gz HRIRHKUDUGVRSG-NEPJUHHUSA-N 2 0 241.379 1.010 20 0 BDADRP Cc1cc([C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)no1 ZINC000572510625 324137655 /nfs/dbraw/zinc/13/76/55/324137655.db2.gz CJCMVDXCJOZLJH-LLVKDONJSA-N 2 0 235.331 1.943 20 0 BDADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(F)cn2)CC1 ZINC000529539917 324331083 /nfs/dbraw/zinc/33/10/83/324331083.db2.gz BXBSVRRMVWCDSY-UHFFFAOYSA-N 2 0 235.306 1.572 20 0 BDADRP C[C@@H](N[C@@H]1CC[NH2+]C12CCC2)[C@H]1CCCC[NH2+]1 ZINC000530215799 324531443 /nfs/dbraw/zinc/53/14/43/324531443.db2.gz JDJGARITWZBXJK-JHJVBQTASA-N 2 0 237.391 1.391 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CC=CCC1)C1C[NH2+]C1 ZINC000530219925 324538527 /nfs/dbraw/zinc/53/85/27/324538527.db2.gz LHTMLUOYAJLJMU-NEPJUHHUSA-N 2 0 208.349 1.930 20 0 BDADRP CC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530237026 324552458 /nfs/dbraw/zinc/55/24/58/324552458.db2.gz BDOOXLAOWRIYKD-GFCCVEGCSA-N 2 0 212.337 1.097 20 0 BDADRP CC(C)[N@H+](C)CCN[C@@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000130451853 325053344 /nfs/dbraw/zinc/05/33/44/325053344.db2.gz MHQFTEXEWLOXSH-QWHCGFSZSA-N 2 0 239.407 1.541 20 0 BDADRP CC[C@@H](C(=O)NCC[N@H+](CC)C(C)C)[NH+](C)C ZINC000131457186 325153443 /nfs/dbraw/zinc/15/34/43/325153443.db2.gz KTUOTOKMIGCBNA-LBPRGKRZSA-N 2 0 243.395 1.173 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@]1(C)CO ZINC000545396715 325218193 /nfs/dbraw/zinc/21/81/93/325218193.db2.gz WJBABESBGYWOPY-CHWSQXEVSA-N 2 0 226.364 1.318 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H](C)[C@@H](C)OC)CC1 ZINC000133288090 325282088 /nfs/dbraw/zinc/28/20/88/325282088.db2.gz SEDXGEMVGNZCGI-NWDGAFQWSA-N 2 0 228.380 1.731 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H](C)[C@@H](C)OC)CC1 ZINC000133288313 325282409 /nfs/dbraw/zinc/28/24/09/325282409.db2.gz SEDXGEMVGNZCGI-VXGBXAGGSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@@H]1[C@H](C)SCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000158590658 487967823 /nfs/dbraw/zinc/96/78/23/487967823.db2.gz CCSVXVCDJIGQOH-OUAUKWLOSA-N 2 0 214.378 1.422 20 0 BDADRP C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000565298924 325892958 /nfs/dbraw/zinc/89/29/58/325892958.db2.gz CYQHJVUFYBGEQS-IUCAKERBSA-N 2 0 221.304 1.067 20 0 BDADRP [NH3+]C1(c2noc([C@@H]3CCC[NH2+]3)n2)CCCC1 ZINC000566215792 326015766 /nfs/dbraw/zinc/01/57/66/326015766.db2.gz SLOGEOLXOBISKG-QMMMGPOBSA-N 2 0 222.292 1.222 20 0 BDADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1cnccn1 ZINC000566302697 326031000 /nfs/dbraw/zinc/03/10/00/326031000.db2.gz KFIAEFROELAQJR-GFCCVEGCSA-N 2 0 234.347 1.298 20 0 BDADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCN(C)c1ccccc1 ZINC000566412579 326041504 /nfs/dbraw/zinc/04/15/04/326041504.db2.gz HZACMSQRLOVWME-KBPBESRZSA-N 2 0 247.386 1.934 20 0 BDADRP C/C=C/C[C@H](CO)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000566481542 326055832 /nfs/dbraw/zinc/05/58/32/326055832.db2.gz IJQGSRAJXPQXNK-GKBWCTFZSA-N 2 0 212.337 1.173 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000566483300 326056396 /nfs/dbraw/zinc/05/63/96/326056396.db2.gz UGURLOVPAYJQMJ-MJBXVCDLSA-N 2 0 241.423 1.966 20 0 BDADRP [NH3+]C1(C[NH2+]C[C@H]2CCCC[C@H]2O)CCC1 ZINC000566743218 326079753 /nfs/dbraw/zinc/07/97/53/326079753.db2.gz PGWVXFADYGDPSW-GHMZBOCLSA-N 2 0 212.337 1.009 20 0 BDADRP CCN(C)C[C@H](O)C[N@H+](C[C@@H](C)OC)C(C)C ZINC000567246703 326149432 /nfs/dbraw/zinc/14/94/32/326149432.db2.gz SDTKSAMDVXLIGV-OLZOCXBDSA-N 2 0 246.395 1.044 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1CCC12CCOCC2 ZINC000567343970 326168084 /nfs/dbraw/zinc/16/80/84/326168084.db2.gz JJZSUSUPUMKNFH-VXGBXAGGSA-N 2 0 226.364 1.391 20 0 BDADRP CC[C@@H]1CCC[C@@H]1NCc1noc(CN)n1 ZINC000567386764 326181231 /nfs/dbraw/zinc/18/12/31/326181231.db2.gz CUTDOODNWXHLES-BDAKNGLRSA-N 2 0 224.308 1.197 20 0 BDADRP C[NH2+]C[C@@H](C)c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000567501512 326205499 /nfs/dbraw/zinc/20/54/99/326205499.db2.gz YMMFGVLJEFDFMV-SECBINFHSA-N 2 0 246.314 1.518 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCn2ccnc2)[C@H](C)C1 ZINC000155670796 326206400 /nfs/dbraw/zinc/20/64/00/326206400.db2.gz RNZNXMYGKCKTEQ-CHWSQXEVSA-N 2 0 236.363 1.203 20 0 BDADRP Cc1nccnc1CC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000567640554 326237023 /nfs/dbraw/zinc/23/70/23/326237023.db2.gz ZCDWKACHPHLRGQ-JSGCOSHPSA-N 2 0 248.374 1.577 20 0 BDADRP COC[C@@H]([NH2+]C1CCC(C[NH3+])CC1)C(C)C ZINC000567642667 326237386 /nfs/dbraw/zinc/23/73/86/326237386.db2.gz IUEFGUBVJUOOBP-WXRRBKDZSA-N 2 0 228.380 1.765 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000567646066 326237749 /nfs/dbraw/zinc/23/77/49/326237749.db2.gz SAYXFQZCFAKYDU-FPYNETTCSA-N 2 0 226.364 1.673 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CC2(CCO)CC2)C1 ZINC000156735626 326241189 /nfs/dbraw/zinc/24/11/89/326241189.db2.gz JCHJREHFLYAOLI-QWRGUYRKSA-N 2 0 212.337 1.009 20 0 BDADRP Cc1nccn1CCC[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000567795409 326259214 /nfs/dbraw/zinc/25/92/14/326259214.db2.gz ULIITORETFDWGC-KGLIPLIRSA-N 2 0 249.358 1.692 20 0 BDADRP COCC1(CC[NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000567893750 326278344 /nfs/dbraw/zinc/27/83/44/326278344.db2.gz TVBGNXKSBMZZJH-STQMWFEESA-N 2 0 240.391 1.910 20 0 BDADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCCc2ccccc2C1 ZINC000568050819 326300228 /nfs/dbraw/zinc/30/02/28/326300228.db2.gz HGZYKVCISPARFD-OAHLLOKOSA-N 2 0 248.370 1.405 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)C1CCOCC1 ZINC000158268324 326314236 /nfs/dbraw/zinc/31/42/36/326314236.db2.gz ZDFKSALIRNTBNL-STQMWFEESA-N 2 0 240.391 1.733 20 0 BDADRP CC(C)[NH2+]CCC[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000158608515 326331913 /nfs/dbraw/zinc/33/19/13/326331913.db2.gz ZSPCZZUQFOZIQG-VXGBXAGGSA-N 2 0 214.353 1.389 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCOCC2CCC2)C1 ZINC000568247188 326333894 /nfs/dbraw/zinc/33/38/94/326333894.db2.gz DSIXOKBLYRXENV-STQMWFEESA-N 2 0 226.364 1.663 20 0 BDADRP Cc1cncc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000568247885 326334331 /nfs/dbraw/zinc/33/43/31/326334331.db2.gz ZUUWAEHPYXBLFP-OLZOCXBDSA-N 2 0 219.332 1.750 20 0 BDADRP CCN(C)CC[NH2+][C@H](C)CC(=O)N(CC)CC ZINC000158812779 326344098 /nfs/dbraw/zinc/34/40/98/326344098.db2.gz GVBWELUZCJPLNS-GFCCVEGCSA-N 2 0 243.395 1.175 20 0 BDADRP C[C@@H](NC[C@H]1CCC[N@H+](C)C1)[C@@H]1CCC[NH2+]1 ZINC000568499386 326359691 /nfs/dbraw/zinc/35/96/91/326359691.db2.gz PUUMMYRAYGFCPT-UPJWGTAASA-N 2 0 225.380 1.058 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CCc1ccc(C)o1 ZINC000568740834 326374275 /nfs/dbraw/zinc/37/42/75/326374275.db2.gz XGZUPVSGKJQLNH-GFCCVEGCSA-N 2 0 240.347 1.474 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)[C@@H]2CC[NH2+][C@H]2C)c1 ZINC000568864491 326379840 /nfs/dbraw/zinc/37/98/40/326379840.db2.gz BGOBVPDEHHFTDY-GXFFZTMASA-N 2 0 247.342 1.390 20 0 BDADRP CC(C)[NH2+]CCc1nc(C2([NH3+])CCCC2)no1 ZINC000568864742 326379896 /nfs/dbraw/zinc/37/98/96/326379896.db2.gz LAPXPLPQDXEXFY-UHFFFAOYSA-N 2 0 238.335 1.338 20 0 BDADRP CC(C)[C@@H]([NH2+]CC1=CC[NH2+]CC1)C1CC1 ZINC000568870039 326380404 /nfs/dbraw/zinc/38/04/04/326380404.db2.gz LXJOAMNLAWPFRB-CYBMUJFWSA-N 2 0 208.349 1.930 20 0 BDADRP CC(C)C[C@H]([NH3+])c1noc(CC2(C[NH3+])CC2)n1 ZINC000569241397 326397359 /nfs/dbraw/zinc/39/73/59/326397359.db2.gz RJMHJPHACIFEAA-VIFPVBQESA-N 2 0 238.335 1.397 20 0 BDADRP [NH3+][C@H](C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000446398476 487980183 /nfs/dbraw/zinc/98/01/83/487980183.db2.gz YKBHLYPKZROHOY-AGIUHOORSA-N 2 0 247.342 1.073 20 0 BDADRP CCC[C@@H](C)C[NH+]1CCC([NH2+]CCO)CC1 ZINC000309586990 487990250 /nfs/dbraw/zinc/99/02/50/487990250.db2.gz SDZRCHFQOSBINZ-GFCCVEGCSA-N 2 0 228.380 1.469 20 0 BDADRP O[C@@H](C[NH2+][C@@H]1CC=CCC1)C[NH+]1CCCC1 ZINC000084067851 487991887 /nfs/dbraw/zinc/99/18/87/487991887.db2.gz DQFOQFAXRBNOFV-OLZOCXBDSA-N 2 0 224.348 1.141 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401008868 488016157 /nfs/dbraw/zinc/01/61/57/488016157.db2.gz GADWJGYRSDXZCW-ZOBORPQBSA-N 2 0 240.391 1.373 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000488293850 533715524 /nfs/dbraw/zinc/71/55/24/533715524.db2.gz GGJOGGMLQUDZOY-CHWSQXEVSA-N 2 0 240.391 1.421 20 0 BDADRP C[NH+](C)[C@@H](CNCCC[NH3+])c1ccccc1 ZINC000135260618 488023957 /nfs/dbraw/zinc/02/39/57/488023957.db2.gz FDEJWJRMFXJZSN-ZDUSSCGKSA-N 2 0 221.348 1.228 20 0 BDADRP CC(C)OCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401066050 488024917 /nfs/dbraw/zinc/02/49/17/488024917.db2.gz LLZWBVUNSZHAHS-JHJVBQTASA-N 2 0 226.364 1.389 20 0 BDADRP O[C@H](C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)C1CCCCC1 ZINC000682717718 488025040 /nfs/dbraw/zinc/02/50/40/488025040.db2.gz YNKOETKRZPBNII-MGPQQGTHSA-N 2 0 238.375 1.079 20 0 BDADRP FC(F)(F)CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401061660 488025354 /nfs/dbraw/zinc/02/53/54/488025354.db2.gz JNWGMJYCIHYDRH-KXUCPTDWSA-N 2 0 236.281 1.917 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000488336777 533716851 /nfs/dbraw/zinc/71/68/51/533716851.db2.gz URVJDAQETAOLHC-DGCLKSJQSA-N 2 0 210.365 1.916 20 0 BDADRP CCCCOCC[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000147487163 488029284 /nfs/dbraw/zinc/02/92/84/488029284.db2.gz UKGVPPQRLZFALZ-CHWSQXEVSA-N 2 0 228.380 1.862 20 0 BDADRP C[C@@H]1CCCC[C@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663497470 488046455 /nfs/dbraw/zinc/04/64/55/488046455.db2.gz GBVZVIVQBNZPEL-CQLXCSJHSA-N 2 0 208.349 1.907 20 0 BDADRP C[NH+](C)CCN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000084479610 488053611 /nfs/dbraw/zinc/05/36/11/488053611.db2.gz YGEKMKXZXKXZGF-LLVKDONJSA-N 2 0 213.369 1.010 20 0 BDADRP Cc1ncc(CN2CCS[C@H](C)C2)n1C ZINC000667594403 488054901 /nfs/dbraw/zinc/05/49/01/488054901.db2.gz DPBJTYPFMRCAMD-SECBINFHSA-N 2 0 225.361 1.666 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000389109308 488077626 /nfs/dbraw/zinc/07/76/26/488077626.db2.gz ADROBZMBOJSZRE-RWMBFGLXSA-N 2 0 225.380 1.188 20 0 BDADRP CCC(CC)(C[NH3+])C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000236676568 488080948 /nfs/dbraw/zinc/08/09/48/488080948.db2.gz ASUHHEPKQXTRAQ-NSHDSACASA-N 2 0 241.379 1.010 20 0 BDADRP CC[C@H]1CC[N@H+](Cc2cnc(C)n2C)C1 ZINC000667698154 488092186 /nfs/dbraw/zinc/09/21/86/488092186.db2.gz ZGCCZVKQJJWXMR-NSHDSACASA-N 2 0 207.321 1.960 20 0 BDADRP Cc1cncc(CC[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000402844339 488103832 /nfs/dbraw/zinc/10/38/32/488103832.db2.gz PYHIVCZISGXSMR-OLZOCXBDSA-N 2 0 248.374 1.400 20 0 BDADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(C[NH3+])c1 ZINC000669508423 488108974 /nfs/dbraw/zinc/10/89/74/488108974.db2.gz WMGNESODXITJRY-QWHCGFSZSA-N 2 0 247.342 1.472 20 0 BDADRP Cc1nnsc1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000309721796 488111576 /nfs/dbraw/zinc/11/15/76/488111576.db2.gz BZRYGEYHJDDGIA-MRVPVSSYSA-N 2 0 240.376 1.406 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)[C@H]([NH3+])CC(C)C)c1 ZINC000669509181 488110964 /nfs/dbraw/zinc/11/09/64/488110964.db2.gz CUNXTXCFZHWQJI-CYBMUJFWSA-N 2 0 249.358 1.718 20 0 BDADRP C[N@H+](C[C@@H]1CC[C@H]2C[C@H]2C1)C1CC([NH3+])C1 ZINC000403086361 488113938 /nfs/dbraw/zinc/11/39/38/488113938.db2.gz QEWOIMZTXJGTJF-HXFVIYLFSA-N 2 0 208.349 1.844 20 0 BDADRP CC[NH+](CC)CCC[N@H+](CCCO)C1CC1 ZINC000683141577 488117903 /nfs/dbraw/zinc/11/79/03/488117903.db2.gz WGXCGENVDCAVPM-UHFFFAOYSA-N 2 0 228.380 1.565 20 0 BDADRP [NH3+][C@@H](CCC(=O)N1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000237980562 487546715 /nfs/dbraw/zinc/54/67/15/487546715.db2.gz KPWFQDSCGADSET-OLZOCXBDSA-N 2 0 247.342 1.026 20 0 BDADRP C([NH2+]C1CSC1)C1CC[NH+](CC2CC2)CC1 ZINC000668783444 487530785 /nfs/dbraw/zinc/53/07/85/487530785.db2.gz OXPBJCZZYXFXRU-UHFFFAOYSA-N 2 0 240.416 1.813 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)C1CC1 ZINC000381031906 487493221 /nfs/dbraw/zinc/49/32/21/487493221.db2.gz DMAPIFOYUSIELJ-AAEUAGOBSA-N 2 0 228.380 1.418 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)CC(C)(C)C ZINC000381076399 487494510 /nfs/dbraw/zinc/49/45/10/487494510.db2.gz QDYXYRVERLXMME-LBPRGKRZSA-N 2 0 230.396 1.665 20 0 BDADRP Cc1csc(CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000086404117 487500847 /nfs/dbraw/zinc/50/08/47/487500847.db2.gz NIQUAPMBFMVWSY-MNOVXSKESA-N 2 0 239.388 1.854 20 0 BDADRP COC[C@H](C)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000086403869 487500977 /nfs/dbraw/zinc/50/09/77/487500977.db2.gz PQTNUWWZXNPSCJ-OUAUKWLOSA-N 2 0 200.326 1.128 20 0 BDADRP CC(C)C[C@H](CO)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000040775317 487515563 /nfs/dbraw/zinc/51/55/63/487515563.db2.gz RGOYLQFGYKEIJU-GXTWGEPZSA-N 2 0 242.407 1.713 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000662274587 487523885 /nfs/dbraw/zinc/52/38/85/487523885.db2.gz XHVSSEYAJYTLML-YVECIDJPSA-N 2 0 208.349 1.703 20 0 BDADRP Cc1nnc([C@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)[nH]1 ZINC000662273809 490045062 /nfs/dbraw/zinc/04/50/62/490045062.db2.gz PNSILRPHFWCOAW-ZMLRMANQSA-N 2 0 249.362 1.106 20 0 BDADRP Cc1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)nc1 ZINC000334846191 487573561 /nfs/dbraw/zinc/57/35/61/487573561.db2.gz MXEOCUFMGBVXOO-RYUDHWBXSA-N 2 0 219.332 1.750 20 0 BDADRP COCC[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000532291117 487603591 /nfs/dbraw/zinc/60/35/91/487603591.db2.gz HYHXUJUGUIIRMQ-ZIAGYGMSSA-N 2 0 240.391 1.829 20 0 BDADRP COc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000666950799 487890451 /nfs/dbraw/zinc/89/04/51/487890451.db2.gz IQIOGNFPTCBBSG-AWEZNQCLSA-N 2 0 246.354 1.927 20 0 BDADRP CC[N@@H+]1CCN(c2nc(C)nc(C)c2C)C[C@H]1C ZINC000677152539 487984912 /nfs/dbraw/zinc/98/49/12/487984912.db2.gz NKFUSYBBOPPNIJ-SNVBAGLBSA-N 2 0 248.374 1.932 20 0 BDADRP C[C@H](C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)C(C)(C)C ZINC000389323290 488088576 /nfs/dbraw/zinc/08/85/76/488088576.db2.gz DEFMTCJKDMAKNV-WOPDTQHZSA-N 2 0 210.365 1.820 20 0 BDADRP CCN(CCC[NH+](C)C)C(=O)CCC(C)(C)[NH3+] ZINC000230711369 488141052 /nfs/dbraw/zinc/14/10/52/488141052.db2.gz DYACPYZYEVRDMJ-UHFFFAOYSA-N 2 0 243.395 1.304 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@H]1COC2(CCC2)C1 ZINC000657859609 488152548 /nfs/dbraw/zinc/15/25/48/488152548.db2.gz WLJQEYGPFGBBCU-GFCCVEGCSA-N 2 0 226.364 1.629 20 0 BDADRP C[NH2+]CCC[N@@H+]1Cc2ccccc2N(C)C[C@@H]1C ZINC000435878877 488185123 /nfs/dbraw/zinc/18/51/23/488185123.db2.gz HAMOYOUDAMJFAS-ZDUSSCGKSA-N 2 0 247.386 1.936 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCn3ccnc32)CC1 ZINC000335916511 488200486 /nfs/dbraw/zinc/20/04/86/488200486.db2.gz UNTUMUPIGCASCE-LBPRGKRZSA-N 2 0 248.374 1.649 20 0 BDADRP C[C@@H]([NH2+]CC1CCOCC1)C1CC[NH+](C)CC1 ZINC000111157318 488327976 /nfs/dbraw/zinc/32/79/76/488327976.db2.gz VFIOEHSPOWZCGX-GFCCVEGCSA-N 2 0 240.391 1.733 20 0 BDADRP COC[C@@H](CC(C)(C)C)[NH2+]CCC[NH+](C)C ZINC000651666468 490129990 /nfs/dbraw/zinc/12/99/90/490129990.db2.gz CYTATTSKUVYSGY-GFCCVEGCSA-N 2 0 230.396 1.979 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(CO)CC2)[C@H](C)C1 ZINC000122340755 490133369 /nfs/dbraw/zinc/13/33/69/490133369.db2.gz LYZUVCCXMGRCLI-VXGBXAGGSA-N 2 0 226.364 1.079 20 0 BDADRP CC(C)n1cc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000414924358 490213397 /nfs/dbraw/zinc/21/33/97/490213397.db2.gz JYWQTAZPDRRZDC-STQMWFEESA-N 2 0 236.363 1.824 20 0 BDADRP [NH3+]CCC[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000415121861 490214866 /nfs/dbraw/zinc/21/48/66/490214866.db2.gz KYLFOKRPWZSZRP-STQMWFEESA-N 2 0 220.316 1.143 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+]CCN(C)C(C)C)C1 ZINC000069848037 490268578 /nfs/dbraw/zinc/26/85/78/490268578.db2.gz LOPOTPNCCHUZOI-OLZOCXBDSA-N 2 0 228.380 1.874 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(O)cc2)CC[N@@H+]1C ZINC000130260939 490349618 /nfs/dbraw/zinc/34/96/18/490349618.db2.gz DEHGQQMMXMBRIL-DGCLKSJQSA-N 2 0 234.343 1.965 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(O)cc2)CC[N@@H+]1C ZINC000130261358 490349653 /nfs/dbraw/zinc/34/96/53/490349653.db2.gz DEHGQQMMXMBRIL-YPMHNXCESA-N 2 0 234.343 1.965 20 0 BDADRP C[C@@H]1CCNC[C@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000335516673 490394560 /nfs/dbraw/zinc/39/45/60/490394560.db2.gz RZHINHCZPVQNDU-BLYZHGLHSA-N 2 0 239.407 1.447 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@H](O)[C@@H](C)CC)CC1 ZINC000305107785 490434851 /nfs/dbraw/zinc/43/48/51/490434851.db2.gz DOJPZVYUADANIU-JSGCOSHPSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)C1CC[NH+](C)CC1 ZINC000222509053 490644136 /nfs/dbraw/zinc/64/41/36/490644136.db2.gz IQNLRSJURKWJSH-MNOVXSKESA-N 2 0 236.363 1.791 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+][C@H](C)CC[NH+](C)C)CCO1 ZINC000251495587 491078257 /nfs/dbraw/zinc/07/82/57/491078257.db2.gz DIMGDHLVDJBNTA-FRRDWIJNSA-N 2 0 228.380 1.874 20 0 BDADRP CC[NH2+]Cc1ccccc1NC(=O)[C@H](CC)[NH2+]C ZINC000662399159 491099442 /nfs/dbraw/zinc/09/94/42/491099442.db2.gz NSKNVLHYZAERPN-LBPRGKRZSA-N 2 0 249.358 1.733 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@@H](C)C[C@@H](C)[NH3+] ZINC000665283035 491107906 /nfs/dbraw/zinc/10/79/06/491107906.db2.gz GLDNGFHPKLHVFB-OUAUKWLOSA-N 2 0 201.358 1.075 20 0 BDADRP CO[C@@H](C)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000223894376 491116256 /nfs/dbraw/zinc/11/62/56/491116256.db2.gz YTTYLMAJYFGYSP-RFQIPJPRSA-N 2 0 240.391 1.922 20 0 BDADRP CC/C=C\C[NH2+][C@H](CCC[NH3+])COC ZINC000394976872 491122866 /nfs/dbraw/zinc/12/28/66/491122866.db2.gz ULYUOSOYVXDYSM-DOGVGXBMSA-N 2 0 200.326 1.296 20 0 BDADRP CC1(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000668739020 491133092 /nfs/dbraw/zinc/13/30/92/491133092.db2.gz IOEDNRKRENWGHQ-ZDUSSCGKSA-N 2 0 238.375 1.318 20 0 BDADRP C[C@@H]([NH2+]CCOCC1CC1)C1CC[NH+](C)CC1 ZINC000223395328 491136236 /nfs/dbraw/zinc/13/62/36/491136236.db2.gz UDDGPUXSTQKZCF-GFCCVEGCSA-N 2 0 240.391 1.733 20 0 BDADRP CO[C@H](C)CC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000309429593 491149189 /nfs/dbraw/zinc/14/91/89/491149189.db2.gz FWYZLTUHHLXBFR-VXGBXAGGSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@H]([NH2+][C@H](CCO)C(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000400704975 533994156 /nfs/dbraw/zinc/99/41/56/533994156.db2.gz KRTRCZFLRYNUHE-SDDRHHMPSA-N 2 0 228.380 1.371 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400986158 534179626 /nfs/dbraw/zinc/17/96/26/534179626.db2.gz YWZXGUUPSKKXKW-YYHQMBLXSA-N 2 0 224.348 1.142 20 0 BDADRP CC[C@@H](C)NC(=[NH2+])NC[C@H](C)[NH+]1CCCC1 ZINC000848986600 582817790 /nfs/dbraw/zinc/81/77/90/582817790.db2.gz KUUHBHXVFSIBQX-MNOVXSKESA-N 2 0 226.368 1.383 20 0 BDADRP CCC1(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)CCOCC1 ZINC000400504923 527753225 /nfs/dbraw/zinc/75/32/25/527753225.db2.gz CWGXJOQJSYENCI-CHWSQXEVSA-N 2 0 240.391 1.923 20 0 BDADRP CC(C)COCCC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400487265 528095561 /nfs/dbraw/zinc/09/55/61/528095561.db2.gz XXHRFEXKAUVOJB-CHWSQXEVSA-N 2 0 228.380 1.779 20 0 BDADRP CCC(CC)(C[NH3+])NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494568708 528651828 /nfs/dbraw/zinc/65/18/28/528651828.db2.gz ZSBXRSXZHAXBCV-NSHDSACASA-N 2 0 241.379 1.152 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000226336380 535003025 /nfs/dbraw/zinc/00/30/25/535003025.db2.gz LEGUNBJNQYZKBT-ZIAGYGMSSA-N 2 0 241.423 1.824 20 0 BDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@H]1CCOC1 ZINC000251285225 535062832 /nfs/dbraw/zinc/06/28/32/535062832.db2.gz FELMBQAYNXJPKN-VXGBXAGGSA-N 2 0 214.353 1.328 20 0 BDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCOCC(F)F ZINC000348750183 535062998 /nfs/dbraw/zinc/06/29/98/535062998.db2.gz OEJCQMPBMJKUHL-SNVBAGLBSA-N 2 0 238.322 1.573 20 0 BDADRP CC[NH2+]CC1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000087249329 535458318 /nfs/dbraw/zinc/45/83/18/535458318.db2.gz LDQVEFUWEAVNPK-CQSZACIVSA-N 2 0 240.391 1.877 20 0 BDADRP CC[NH2+]CC1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000261927551 535458854 /nfs/dbraw/zinc/45/88/54/535458854.db2.gz LCOLBRLRNZILKF-AWEZNQCLSA-N 2 0 240.391 1.735 20 0 BDADRP CC[NH+]1CCC(NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000223240450 535474262 /nfs/dbraw/zinc/47/42/62/535474262.db2.gz UXADNPJJXPODDL-GFCCVEGCSA-N 2 0 239.407 1.543 20 0 BDADRP CC[NH+](CC)C[C@@H]1CCN(CC(C)(C)[NH3+])C1 ZINC000346987048 535585379 /nfs/dbraw/zinc/58/53/79/535585379.db2.gz PXPBFLYEJROZSN-LBPRGKRZSA-N 2 0 227.396 1.387 20 0 BDADRP CCOCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000036228490 535624709 /nfs/dbraw/zinc/62/47/09/535624709.db2.gz NQWIWTLMTWSASI-UHFFFAOYSA-N 2 0 249.358 1.677 20 0 BDADRP CCS[C@@H]1CCCC[N@H+](C[C@@H](C)[NH3+])C1 ZINC000261535358 535704864 /nfs/dbraw/zinc/70/48/64/535704864.db2.gz OGZGUJBFNIAYER-GHMZBOCLSA-N 2 0 216.394 1.941 20 0 BDADRP CC[C@@H]1C[C@H](C[N@@H+]2CC[C@](C)(C[NH3+])C2)CCO1 ZINC000261897893 535898215 /nfs/dbraw/zinc/89/82/15/535898215.db2.gz WDMBXGIHBGSXFA-MGPQQGTHSA-N 2 0 240.391 1.862 20 0 BDADRP C[NH2+]C[C@H]1CCCN(c2cc[nH+]cc2C)C1 ZINC000070047547 536466060 /nfs/dbraw/zinc/46/60/60/536466060.db2.gz NYIHMBQTMRAKQN-GFCCVEGCSA-N 2 0 219.332 1.826 20 0 BDADRP COCCC[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000227737462 536511503 /nfs/dbraw/zinc/51/15/03/536511503.db2.gz MLURDAFAXZQZDX-NSHDSACASA-N 2 0 202.342 1.328 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](O)CC(C)(C)C ZINC000226066678 536596315 /nfs/dbraw/zinc/59/63/15/536596315.db2.gz JUPFANAIQQSCDV-VXGBXAGGSA-N 2 0 246.395 1.127 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCCCS1 ZINC000234727792 536596586 /nfs/dbraw/zinc/59/65/86/536596586.db2.gz SIXBLHBZIWBPGY-VXGBXAGGSA-N 2 0 246.420 1.616 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1CC=CCC1 ZINC000234724493 536596950 /nfs/dbraw/zinc/59/69/50/536596950.db2.gz YWKDTOYBZJOHQX-QWHCGFSZSA-N 2 0 226.364 1.686 20 0 BDADRP COC1(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)CCC1 ZINC000227493250 536684735 /nfs/dbraw/zinc/68/47/35/536684735.db2.gz ISVOZFUZQSFADW-NWDGAFQWSA-N 2 0 226.364 1.485 20 0 BDADRP CO[C@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000261534546 536707924 /nfs/dbraw/zinc/70/79/24/536707924.db2.gz RZDXTAGHZWAMMM-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP COCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000086494152 536894517 /nfs/dbraw/zinc/89/45/17/536894517.db2.gz VNEKBSMVTMNSOX-TUAOUCFPSA-N 2 0 212.337 1.143 20 0 BDADRP FCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151880226 566434967 /nfs/dbraw/zinc/43/49/67/566434967.db2.gz MZZPMMDYNFWTTN-UHFFFAOYSA-N 2 0 223.295 1.563 20 0 BDADRP CC[C@@](C)(CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000893323327 583101020 /nfs/dbraw/zinc/10/10/20/583101020.db2.gz BQOCKMNGLRVCTO-WVMKXHBISA-N 2 0 226.364 1.362 20 0 BDADRP CC(C)C[C@H](O)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000222973113 583179579 /nfs/dbraw/zinc/17/95/79/583179579.db2.gz WSBQBTPOIZPWOF-JSGCOSHPSA-N 2 0 242.407 1.713 20 0 BDADRP C[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)[C@H](C)[C@H](C)O1 ZINC000893888607 583244403 /nfs/dbraw/zinc/24/44/03/583244403.db2.gz KPRGVRGOJDUPGD-UPJWGTAASA-N 2 0 240.391 1.826 20 0 BDADRP [NH3+]C[C@H]1CCC[N@H+](CCC2SCCS2)C1 ZINC000853022944 588716569 /nfs/dbraw/zinc/71/65/69/588716569.db2.gz INTWYXZVIHADOR-SNVBAGLBSA-N 2 0 246.445 1.853 20 0 BDADRP [NH3+]C1(C[NH2+]CCC2SCCS2)CCC1 ZINC000853023280 588716624 /nfs/dbraw/zinc/71/66/24/588716624.db2.gz RLKCRPFXDPFLAG-UHFFFAOYSA-N 2 0 232.418 1.654 20 0 BDADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CCOCC1 ZINC000111173028 588726374 /nfs/dbraw/zinc/72/63/74/588726374.db2.gz IGYBRKNFYVRTKW-AGUYFDCRSA-N 2 0 238.375 1.757 20 0 BDADRP CN(C)c1ccnc(N[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000853232166 588727862 /nfs/dbraw/zinc/72/78/62/588727862.db2.gz UOSDYDNGUISQDX-JTQLQIEISA-N 2 0 247.346 1.191 20 0 BDADRP C[C@@H](CCO)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000853239285 588728141 /nfs/dbraw/zinc/72/81/41/588728141.db2.gz DKIUPTFSVDHRDD-GXTWGEPZSA-N 2 0 240.391 1.469 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](O)c2ccccc21 ZINC000854229308 588781135 /nfs/dbraw/zinc/78/11/35/588781135.db2.gz KRPXOVJBXNYWOJ-HJPIBITLSA-N 2 0 246.354 1.882 20 0 BDADRP CC(C)[C@@H]1CC[C@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000854226596 588780550 /nfs/dbraw/zinc/78/05/50/588780550.db2.gz IQZUQMOZMNUEBW-CMOBGSAGSA-N 2 0 208.349 1.763 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCC1SCCS1 ZINC000854231935 588781595 /nfs/dbraw/zinc/78/15/95/588781595.db2.gz POZWICSCLVWWAS-BDAKNGLRSA-N 2 0 232.418 1.652 20 0 BDADRP C[C@H](CNC(=[NH2+])NCC1CCC1)[NH+]1CCCC1 ZINC000848986579 582817246 /nfs/dbraw/zinc/81/72/46/582817246.db2.gz IMESVQQVCXJEDG-LLVKDONJSA-N 2 0 238.379 1.385 20 0 BDADRP C[NH+](C)Cc1cccc(CNC(=[NH2+])N2CCC2)c1 ZINC000848991873 582819823 /nfs/dbraw/zinc/81/98/23/582819823.db2.gz NZWPUUPNNDHCCO-UHFFFAOYSA-N 2 0 246.358 1.478 20 0 BDADRP CN(C)C(=[NH2+])NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000849024387 582829719 /nfs/dbraw/zinc/82/97/19/582829719.db2.gz WDYZCNMGKGZMBV-JTQLQIEISA-N 2 0 226.368 1.193 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)COC(C)=O)C1 ZINC000892743851 582974244 /nfs/dbraw/zinc/97/42/44/582974244.db2.gz SUXQGQHBCRMQCV-DGCLKSJQSA-N 2 0 242.363 1.260 20 0 BDADRP CN1CC[C@H]([NH2+]C[C@@H]2C[C@]2(C)Br)C1 ZINC000892938690 583012938 /nfs/dbraw/zinc/01/29/38/583012938.db2.gz HBSFNWHWBAPPLN-GUBZILKMSA-N 2 0 247.180 1.454 20 0 BDADRP CO[C@@H]1CCC[C@H]1C[NH2+]CC1CC[NH+](C)CC1 ZINC000893287244 583087548 /nfs/dbraw/zinc/08/75/48/583087548.db2.gz YIJHPFZMTGSGEY-UONOGXRCSA-N 2 0 240.391 1.733 20 0 BDADRP [NH3+][C@]12CCC[C@@H]1CN(CCOC(F)F)C2 ZINC000857084800 588886486 /nfs/dbraw/zinc/88/64/86/588886486.db2.gz BMLFSQXTKCONNW-SCZZXKLOSA-N 2 0 220.263 1.039 20 0 BDADRP COc1ccc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)o1 ZINC000894083867 583295423 /nfs/dbraw/zinc/29/54/23/583295423.db2.gz PUEQTMTWAFLUKF-PHIMTYICSA-N 2 0 236.315 1.282 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@H](CO)CC2CCC2)CC1 ZINC000894166643 583323836 /nfs/dbraw/zinc/32/38/36/583323836.db2.gz JYIMBOXMVCFPMX-CQSZACIVSA-N 2 0 240.391 1.469 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H](C)CCO)C1 ZINC000894456891 583464890 /nfs/dbraw/zinc/46/48/90/583464890.db2.gz RPLLMDKLBSQFHD-VXGBXAGGSA-N 2 0 214.353 1.077 20 0 BDADRP C[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)C[C@H](C)N1C ZINC000894639856 583498670 /nfs/dbraw/zinc/49/86/70/583498670.db2.gz SQPNQSVDXWZHII-BETUJISGSA-N 2 0 239.407 1.353 20 0 BDADRP COc1cccnc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000894776677 583518734 /nfs/dbraw/zinc/51/87/34/583518734.db2.gz AKLRDTWMFRWBIJ-UHFFFAOYSA-N 2 0 249.358 1.522 20 0 BDADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cnc[nH]3)C2)CC1 ZINC000894779582 583519778 /nfs/dbraw/zinc/51/97/78/583519778.db2.gz IXGOXVVZAFRKNT-CYBMUJFWSA-N 2 0 248.374 1.573 20 0 BDADRP CC(C)O[C@@H]1CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000895082412 583583642 /nfs/dbraw/zinc/58/36/42/583583642.db2.gz PQBLJEYXRWJSFV-CQSZACIVSA-N 2 0 240.391 1.828 20 0 BDADRP CC[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C(=O)OC ZINC000895128348 583600101 /nfs/dbraw/zinc/60/01/01/583600101.db2.gz XIQXXIUDIKMWCS-IJLUTSLNSA-N 2 0 242.363 1.258 20 0 BDADRP C[C@@H]1C[C@@H](NCc2cccnc2F)CC[N@@H+]1C ZINC000794836542 583622676 /nfs/dbraw/zinc/62/26/76/583622676.db2.gz QSSAUZIFGSMYNP-PWSUYJOCSA-N 2 0 237.322 1.793 20 0 BDADRP Cc1nccc(N2CC[C@H](CC[NH+](C)C)C2)n1 ZINC000895331700 583653478 /nfs/dbraw/zinc/65/34/78/583653478.db2.gz VUJSOSXJVKUWTK-LBPRGKRZSA-N 2 0 234.347 1.563 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CC2CSC2)CC1(C)C ZINC000895423435 583673387 /nfs/dbraw/zinc/67/33/87/583673387.db2.gz JNVPUWXCAMYTOC-NSHDSACASA-N 2 0 228.405 1.812 20 0 BDADRP CC(=O)OC[C@H](C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000895587296 583694279 /nfs/dbraw/zinc/69/42/79/583694279.db2.gz ODQXEUVDJAYESO-WCQYABFASA-N 2 0 242.363 1.260 20 0 BDADRP C[NH+]1CCC(C[NH2+]Cc2ccnc(F)c2)CC1 ZINC000858127940 588934739 /nfs/dbraw/zinc/93/47/39/588934739.db2.gz VNCWTKVNTUMQES-UHFFFAOYSA-N 2 0 237.322 1.652 20 0 BDADRP CC[N@H+](C)C[C@@H]1CCN(c2cc[nH+]c(CO)c2)C1 ZINC000858430336 588953978 /nfs/dbraw/zinc/95/39/78/588953978.db2.gz UCTBLWZKKNBHQM-LBPRGKRZSA-N 2 0 249.358 1.352 20 0 BDADRP Cc1ncccc1CC[NH2+]CC1CC[NH+](C)CC1 ZINC000898250625 584100474 /nfs/dbraw/zinc/10/04/74/584100474.db2.gz WRUYAURJNWIDNK-UHFFFAOYSA-N 2 0 247.386 1.864 20 0 BDADRP Cc1ncccc1CC[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000898255277 584101530 /nfs/dbraw/zinc/10/15/30/584101530.db2.gz JOAYRDUBQYODGF-BXUZGUMPSA-N 2 0 233.359 1.472 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCCOC1 ZINC000873251400 584128204 /nfs/dbraw/zinc/12/82/04/584128204.db2.gz MKCUBRKIHJUDEE-FIQHERPVSA-N 2 0 212.337 1.128 20 0 BDADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000873255601 584128208 /nfs/dbraw/zinc/12/82/08/584128208.db2.gz ICBXMNGXYULHMX-XGFWRYKXSA-N 3 0 237.391 1.234 20 0 BDADRP C[C@H](NC(=[NH2+])NC[C@H](C1CC1)[NH+](C)C)C1CC1 ZINC000899264642 584189181 /nfs/dbraw/zinc/18/91/81/584189181.db2.gz IXPGKTVOIRWEQN-JOYOIKCWSA-N 2 0 238.379 1.239 20 0 BDADRP CC(C)C[C@@H]([NH3+])Cc1nc([C@H]2CCC[NH2+]2)no1 ZINC000900010576 584265628 /nfs/dbraw/zinc/26/56/28/584265628.db2.gz UBVIOGJTEMFDTN-NXEZZACHSA-N 2 0 238.335 1.410 20 0 BDADRP CC[NH+](CC)CCN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902315329 584555597 /nfs/dbraw/zinc/55/55/97/584555597.db2.gz AHNJEJNVRXTGCJ-CYBMUJFWSA-N 2 0 241.423 1.696 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@H]2CCCO2)C1 ZINC000902317408 584556427 /nfs/dbraw/zinc/55/64/27/584556427.db2.gz JWZJIGHOKIPJBD-VXGBXAGGSA-N 2 0 226.364 1.533 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCCCCCO)C1 ZINC000902372816 584566812 /nfs/dbraw/zinc/56/68/12/584566812.db2.gz ZXQRDGNBPQPBBL-ZDUSSCGKSA-N 2 0 242.407 1.907 20 0 BDADRP CC(C)(CCO)C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902358711 584570452 /nfs/dbraw/zinc/57/04/52/584570452.db2.gz COAHEERJXSDWSN-LBPRGKRZSA-N 2 0 242.407 1.763 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc2c(c1)CCO2 ZINC000902406252 584573259 /nfs/dbraw/zinc/57/32/59/584573259.db2.gz QNNVFNWUWBKXFW-MNOVXSKESA-N 2 0 246.354 1.880 20 0 BDADRP COC[C@H]([NH2+]CC1([NH3+])CC1)C1CCCC1 ZINC000902407067 584574172 /nfs/dbraw/zinc/57/41/72/584574172.db2.gz OXLROXYENSRUTB-NSHDSACASA-N 2 0 212.337 1.273 20 0 BDADRP [NH3+]C1(C[NH2+][C@@H]2CCCC23CCOCC3)CC1 ZINC000902407227 584575101 /nfs/dbraw/zinc/57/51/01/584575101.db2.gz QHYZCCUWRBZCOJ-LLVKDONJSA-N 2 0 224.348 1.417 20 0 BDADRP [NH3+]CCC[C@@H]([NH2+]CC1([NH3+])CC1)c1ccccc1 ZINC000902410655 584576156 /nfs/dbraw/zinc/57/61/56/584576156.db2.gz RTPNPNBDRSRZAE-CYBMUJFWSA-N 3 0 233.359 1.548 20 0 BDADRP C[C@@H](C[NH+](C)C)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902384348 584577183 /nfs/dbraw/zinc/57/71/83/584577183.db2.gz JFAZJSYDJSTLLP-RYUDHWBXSA-N 2 0 227.396 1.304 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCC2(O)CCC2)C1 ZINC000902384382 584577615 /nfs/dbraw/zinc/57/76/15/584577615.db2.gz KOWQAUURHKJKSX-LBPRGKRZSA-N 2 0 240.391 1.659 20 0 BDADRP C[C@@H](O)CCC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902385348 584578101 /nfs/dbraw/zinc/57/81/01/584578101.db2.gz ZUYNUWWMYKIEPH-VXGBXAGGSA-N 2 0 228.380 1.515 20 0 BDADRP CCCC[C@@H](C[NH3+])N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902394013 584584057 /nfs/dbraw/zinc/58/40/57/584584057.db2.gz UPPDNGBVVFWXPU-OLZOCXBDSA-N 2 0 241.423 1.872 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)C1 ZINC000902393552 584584222 /nfs/dbraw/zinc/58/42/22/584584222.db2.gz PVIVMOPRCKHWHA-XQQFMLRXSA-N 3 0 239.407 1.482 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCC2(C[NH3+])CC2)C1 ZINC000902394595 584584986 /nfs/dbraw/zinc/58/49/86/584584986.db2.gz ZBFMRCQLLUMDIH-LBPRGKRZSA-N 3 0 239.407 1.483 20 0 BDADRP CC1(C)C[NH2+]CC[C@H](NCc2cc(N)cc[nH+]2)C1 ZINC000902403872 584588275 /nfs/dbraw/zinc/58/82/75/584588275.db2.gz TWUOLKXVKPSTFR-LBPRGKRZSA-N 2 0 248.374 1.532 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902404056 584589129 /nfs/dbraw/zinc/58/91/29/584589129.db2.gz ISPPLPSYMQRLJV-STQMWFEESA-N 2 0 242.407 1.905 20 0 BDADRP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]CC1([NH3+])CC1 ZINC000902417198 584591054 /nfs/dbraw/zinc/59/10/54/584591054.db2.gz XSDZJXAGGZGCHO-NSHDSACASA-N 2 0 247.342 1.485 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CC[C@@H]2CCCC[C@@H]2O)C1 ZINC000902428341 584594901 /nfs/dbraw/zinc/59/49/01/584594901.db2.gz CEXPHKXXUFQPGP-XUXIUFHCSA-N 2 0 240.391 1.787 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCC(C)(C)CO1)C1C[NH2+]C1 ZINC000902432807 584595364 /nfs/dbraw/zinc/59/53/64/584595364.db2.gz YDTLYOOYVVKDHF-WCQYABFASA-N 2 0 240.391 1.779 20 0 BDADRP C[C@H]1C[N@H+](C)C[C@@H]1N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902437975 584596583 /nfs/dbraw/zinc/59/65/83/584596583.db2.gz LHGJZLRTGTVJGQ-OADPDTJPSA-N 2 0 245.370 1.151 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902436478 584596686 /nfs/dbraw/zinc/59/66/86/584596686.db2.gz YOTYBVWAEAJYLJ-RDBQEKCUSA-N 2 0 233.359 1.327 20 0 BDADRP CC[C@@H](COC)[NH2+][C@@H]1Cc2ccccc2[C@H]1N ZINC000902436593 584596723 /nfs/dbraw/zinc/59/67/23/584596723.db2.gz CFAHAHQRCZKPDC-IACUBPJLSA-N 2 0 234.343 1.626 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@H]1N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902437973 584596756 /nfs/dbraw/zinc/59/67/56/584596756.db2.gz LHGJZLRTGTVJGQ-JUDXGUMMSA-N 2 0 245.370 1.151 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cnn(CCF)c1 ZINC000902444324 584598176 /nfs/dbraw/zinc/59/81/76/584598176.db2.gz GWRDDOQXTOXQKY-NEPJUHHUSA-N 2 0 240.326 1.070 20 0 BDADRP CC[C@H]([NH2+]CC1([NH3+])CC1)C1(C(=O)OC)CCC1 ZINC000902414035 584599585 /nfs/dbraw/zinc/59/95/85/584599585.db2.gz QVWZOZRMPDNJCV-JTQLQIEISA-N 2 0 240.347 1.189 20 0 BDADRP [NH3+]C1(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)CC1 ZINC000902413290 584599812 /nfs/dbraw/zinc/59/98/12/584599812.db2.gz JQEKYOFGLWMHGR-KXUCPTDWSA-N 2 0 244.429 1.447 20 0 BDADRP COC1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC000902474196 584601942 /nfs/dbraw/zinc/60/19/42/584601942.db2.gz DFFJALMRBXWQBX-ZWMSFMBMSA-N 2 0 224.348 1.427 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@H]1CCCOC1 ZINC000902475380 584602656 /nfs/dbraw/zinc/60/26/56/584602656.db2.gz JXWYRRHPYOPFKK-IEECTRCBSA-N 2 0 224.348 1.284 20 0 BDADRP C[C@@H](NC[C@H]1CCCCC[NH2+]1)[C@H]1CCCC[NH2+]1 ZINC000902477731 584603257 /nfs/dbraw/zinc/60/32/57/584603257.db2.gz RIIMISOKJUWBRF-MGPQQGTHSA-N 2 0 239.407 1.639 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902451596 584607199 /nfs/dbraw/zinc/60/71/99/584607199.db2.gz GZBSTMPHOLHZAC-LHWOPQQMSA-N 2 0 236.359 1.269 20 0 BDADRP CC[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@@H]1C[C@@H]1C ZINC000902460610 584611804 /nfs/dbraw/zinc/61/18/04/584611804.db2.gz HOCCHWYXSFGUBC-ASHHDVGLSA-N 2 0 208.349 1.904 20 0 BDADRP C[C@@H]([NH2+]C[C@]12C[C@H]1COC21CCC1)C1C[NH2+]C1 ZINC000902462666 584612255 /nfs/dbraw/zinc/61/22/55/584612255.db2.gz XECXGDNEJVLRTA-KGYLQXTDSA-N 2 0 236.359 1.143 20 0 BDADRP C[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@@H]1CC1(C)C ZINC000902464332 584613316 /nfs/dbraw/zinc/61/33/16/584613316.db2.gz CPXVQSGEWPPYEL-YBXAARCKSA-N 2 0 208.349 1.904 20 0 BDADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)C1 ZINC000902490181 584617275 /nfs/dbraw/zinc/61/72/75/584617275.db2.gz UHWNNGCKWAMJMP-YHQUGGNUSA-N 2 0 238.375 1.519 20 0 BDADRP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)C1CC[NH+](C)CC1 ZINC000902490712 584617934 /nfs/dbraw/zinc/61/79/34/584617934.db2.gz SMSPIPQOPPUHDK-NQBHXWOUSA-N 3 0 225.380 1.044 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H]2C[C@H](C[NH3+])C2)CC1 ZINC000902490977 584618221 /nfs/dbraw/zinc/61/82/21/584618221.db2.gz ZOYUCDJTEXOJSY-AULYBMBSSA-N 3 0 225.380 1.188 20 0 BDADRP Cc1ncccc1CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000902511465 584623158 /nfs/dbraw/zinc/62/31/58/584623158.db2.gz FBOQVZRVOSZRCJ-UONOGXRCSA-N 2 0 233.359 1.792 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H]1CCCCC[NH2+]1 ZINC000902481554 584623843 /nfs/dbraw/zinc/62/38/43/584623843.db2.gz DNLAGBIHEFVJJF-HZSPNIEDSA-N 2 0 239.407 1.496 20 0 BDADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H]2CCCC23CCOCC3)C1 ZINC000902485685 584625370 /nfs/dbraw/zinc/62/53/70/584625370.db2.gz MPLBBQPIOIFRJM-AVGNSLFASA-N 2 0 238.375 1.663 20 0 BDADRP COCC[C@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902486780 584626063 /nfs/dbraw/zinc/62/60/63/584626063.db2.gz RVCSUUSDGZCSHI-FDYHWXHSSA-N 2 0 226.364 1.519 20 0 BDADRP COC[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)C1CCCC1 ZINC000902487381 584626387 /nfs/dbraw/zinc/62/63/87/584626387.db2.gz UFTGIHLJYIGNJY-RAIGVLPGSA-N 2 0 226.364 1.519 20 0 BDADRP COC[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)C1CCCC1 ZINC000902487380 584627015 /nfs/dbraw/zinc/62/70/15/584627015.db2.gz UFTGIHLJYIGNJY-DRZSPHRISA-N 2 0 226.364 1.519 20 0 BDADRP Cc1ncccc1CC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000902513895 584629321 /nfs/dbraw/zinc/62/93/21/584629321.db2.gz PESVUIRWWLEFFD-UONOGXRCSA-N 2 0 233.359 1.650 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCOC1CCSCC1 ZINC000902521784 584631748 /nfs/dbraw/zinc/63/17/48/584631748.db2.gz USJKJJPRTMLUBK-RYUDHWBXSA-N 2 0 244.404 1.368 20 0 BDADRP OCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903158494 584731317 /nfs/dbraw/zinc/73/13/17/584731317.db2.gz JBXZJCBGGKNKLF-QXMXGUDHSA-N 2 0 238.375 1.506 20 0 BDADRP O[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903184360 584733422 /nfs/dbraw/zinc/73/34/22/584733422.db2.gz WCTGHAIILVOMAI-VALPQFTMSA-N 2 0 236.359 1.257 20 0 BDADRP CCCCC[N@H+](CCO)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903429991 584761768 /nfs/dbraw/zinc/76/17/68/584761768.db2.gz MPAJXKCDHDRLSW-OLZOCXBDSA-N 2 0 228.380 1.326 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC(C)(C)OCC1(C)C ZINC000903440132 584763285 /nfs/dbraw/zinc/76/32/85/584763285.db2.gz UKFRUNREMRYLIA-NEPJUHHUSA-N 2 0 240.391 1.731 20 0 BDADRP [NH3+][C@@H]1CC[C@H](CN2CC[NH2+]Cc3ccccc32)C1 ZINC000903422383 584764268 /nfs/dbraw/zinc/76/42/68/584764268.db2.gz BBLTXPQQBZXZBC-GXTWGEPZSA-N 2 0 245.370 1.724 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903423527 584764696 /nfs/dbraw/zinc/76/46/96/584764696.db2.gz VWNHFGMNYKOHHO-LOWVWBTDSA-N 3 0 225.380 1.173 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903423528 584764767 /nfs/dbraw/zinc/76/47/67/584764767.db2.gz VWNHFGMNYKOHHO-WZRBSPASSA-N 3 0 225.380 1.173 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCOCC3(CCC3)C2)C1 ZINC000903459186 584766165 /nfs/dbraw/zinc/76/61/65/584766165.db2.gz ROXZQUGEUGGYCB-QWHCGFSZSA-N 2 0 238.375 1.616 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN1C[C@@H]([NH3+])Cc2ccccc21 ZINC000903460036 584766330 /nfs/dbraw/zinc/76/63/30/584766330.db2.gz VBSJSWGLKUDJMG-XBFCOCLRSA-N 2 0 245.370 1.232 20 0 BDADRP C[C@@H](CO)C1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903461227 584766342 /nfs/dbraw/zinc/76/63/42/584766342.db2.gz QASALLPQUUQYRL-DYEKYZERSA-N 2 0 240.391 1.182 20 0 BDADRP CN1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C(C)(C)C1 ZINC000903464462 584766628 /nfs/dbraw/zinc/76/66/28/584766628.db2.gz OGKRHIVZPQBTGJ-NEPJUHHUSA-N 2 0 225.380 1.140 20 0 BDADRP C[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H]1CC[NH3+] ZINC000903461189 584766705 /nfs/dbraw/zinc/76/67/05/584766705.db2.gz OWEMMNFNNWDYCU-YIYPIFLZSA-N 3 0 239.407 1.563 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC(n3ccnc3)CC2)C1 ZINC000903442235 584767125 /nfs/dbraw/zinc/76/71/25/584767125.db2.gz LMADIGHJKGVMMU-QWHCGFSZSA-N 2 0 248.374 1.647 20 0 BDADRP CCC[N@H+](C)C[C@H]1CCN(C[C@H]2CCC[NH2+]2)C1 ZINC000903446081 584769948 /nfs/dbraw/zinc/76/99/48/584769948.db2.gz SQLGJHLPPVPXTC-ZIAGYGMSSA-N 2 0 239.407 1.402 20 0 BDADRP [NH3+]CCN(Cc1ccccc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903450118 584771971 /nfs/dbraw/zinc/77/19/71/584771971.db2.gz ZVGSDJJSVWCLJK-CABCVRRESA-N 2 0 247.386 1.575 20 0 BDADRP [NH3+]CCCN(Cc1ccccc1)C[C@H]1CCC[NH2+]1 ZINC000903450225 584771999 /nfs/dbraw/zinc/77/19/99/584771999.db2.gz QFULVLOQQOHGIF-OAHLLOKOSA-N 2 0 247.386 1.589 20 0 BDADRP C([C@H]1CCC[NH2+]1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000903453700 584773015 /nfs/dbraw/zinc/77/30/15/584773015.db2.gz IJVMLFVBJDATLG-ZIAGYGMSSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@@H]1CCN[C@H](C)[C@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903454828 584773417 /nfs/dbraw/zinc/77/34/17/584773417.db2.gz KETUXBGZZKQRQW-KVSVUVNWSA-N 2 0 225.380 1.090 20 0 BDADRP CC[N@@H+]1C[C@@H](C)N(C[C@H]2CCC[NH2+]2)C[C@@H]1C ZINC000903454397 584773437 /nfs/dbraw/zinc/77/34/37/584773437.db2.gz BIMBVPSJVNRTKE-YNEHKIRRSA-N 2 0 225.380 1.153 20 0 BDADRP COCC1(C)CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903456417 584774179 /nfs/dbraw/zinc/77/41/79/584774179.db2.gz HZJCSJPJQGEPBO-OLZOCXBDSA-N 2 0 240.391 1.862 20 0 BDADRP [NH3+]CCCCCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903470797 584774899 /nfs/dbraw/zinc/77/48/99/584774899.db2.gz DBMYSDWXMHMPCI-GFCCVEGCSA-N 3 0 225.380 1.380 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903472932 584776381 /nfs/dbraw/zinc/77/63/81/584776381.db2.gz XDWTWHUTAWVCLC-TUAOUCFPSA-N 2 0 224.348 1.286 20 0 BDADRP [NH3+][C@@H]1CC[C@H](CN2CCOCC(F)(F)C2)C1 ZINC000903474936 584776574 /nfs/dbraw/zinc/77/65/74/584776574.db2.gz VNURTKUSNJYBQZ-VHSXEESVSA-N 2 0 234.290 1.081 20 0 BDADRP CC(=O)C1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903478366 584778192 /nfs/dbraw/zinc/77/81/92/584778192.db2.gz IWLIASOSZDRPAZ-MFKMUULPSA-N 2 0 224.348 1.143 20 0 BDADRP C(N[C@@H]1CC[NH2+]C12CCCC2)[C@H]1CCC[NH2+]1 ZINC000903481799 584778323 /nfs/dbraw/zinc/77/83/23/584778323.db2.gz NBJDDIIKANUDJF-VXGBXAGGSA-N 2 0 223.364 1.003 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[NH2+]CCC12CCC2 ZINC000903482703 584778595 /nfs/dbraw/zinc/77/85/95/584778595.db2.gz PJPHCVPNHQMESB-OLZOCXBDSA-N 2 0 237.391 1.060 20 0 BDADRP C[C@@H]1CC[C@@H](CN)[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H]1C ZINC000903482375 584778604 /nfs/dbraw/zinc/77/86/04/584778604.db2.gz FOWDYOQHBSQKMC-POQQGIQPSA-N 2 0 239.407 1.562 20 0 BDADRP C[C@@H]1CC[C@H](CN)[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H]1C ZINC000903482376 584778640 /nfs/dbraw/zinc/77/86/40/584778640.db2.gz FOWDYOQHBSQKMC-XGFWRYKXSA-N 2 0 239.407 1.562 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2CC[NH2+]C23CCCC3)C1 ZINC000903482055 584778678 /nfs/dbraw/zinc/77/86/78/584778678.db2.gz VQISCINCQPUQKM-XQQFMLRXSA-N 3 0 237.391 1.378 20 0 BDADRP C([NH2+][C@@H]1CC[NH2+]C12CCCC2)[C@H]1CCOC1 ZINC000903484453 584779675 /nfs/dbraw/zinc/77/96/75/584779675.db2.gz RMTCLUSGTWBVPM-VXGBXAGGSA-N 2 0 224.348 1.287 20 0 BDADRP C[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)C[C@H]1CC[NH3+] ZINC000903500366 584780319 /nfs/dbraw/zinc/78/03/19/584780319.db2.gz YVOSBGIFMHXQFI-TZMCWYRMSA-N 3 0 239.407 1.293 20 0 BDADRP C[C@H]1CSCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000903708352 584791453 /nfs/dbraw/zinc/79/14/53/584791453.db2.gz RTIZUBIGRMFMBQ-NSHDSACASA-N 2 0 228.405 1.813 20 0 BDADRP C[NH2+]CC1CC[NH+](CC2CC(C)C2)CC1 ZINC000903716799 584791963 /nfs/dbraw/zinc/79/19/63/584791963.db2.gz SKQDKVRLMYTMTB-UHFFFAOYSA-N 2 0 210.365 1.964 20 0 BDADRP C[C@@](C[NH3+])(NC[C@@H]1CCCC[NH2+]C1)C1CC1 ZINC000903717294 584792373 /nfs/dbraw/zinc/79/23/73/584792373.db2.gz MPCSUVIZFFUPQA-YPMHNXCESA-N 2 0 225.380 1.093 20 0 BDADRP CC(C)[C@](C)(C[NH3+])NC[C@@H]1CCCC[NH2+]C1 ZINC000903717721 584792494 /nfs/dbraw/zinc/79/24/94/584792494.db2.gz UIEJOJGOZWRRAZ-OLZOCXBDSA-N 2 0 227.396 1.339 20 0 BDADRP OCCC[N@H+](C[C@@H]1CCCC[NH2+]C1)C1CC1 ZINC000903730456 584792765 /nfs/dbraw/zinc/79/27/65/584792765.db2.gz WMMUVALEQFKUNZ-GFCCVEGCSA-N 2 0 226.364 1.223 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903727362 584793224 /nfs/dbraw/zinc/79/32/24/584793224.db2.gz SWBSTAGQSPXHFG-UPJWGTAASA-N 2 0 224.348 1.097 20 0 BDADRP CN(C[C@@H]1CCCC[NH2+]C1)C1CC[NH2+]CC1 ZINC000903713559 584793332 /nfs/dbraw/zinc/79/33/32/584793332.db2.gz VRIAAMLOHQNWNP-GFCCVEGCSA-N 2 0 225.380 1.060 20 0 BDADRP [NH3+]C[C@@H]1CCCCN1C[C@@H]1CCCC[NH2+]C1 ZINC000903713597 584793729 /nfs/dbraw/zinc/79/37/29/584793729.db2.gz XHARYWUDZVTCBT-OLZOCXBDSA-N 2 0 225.380 1.189 20 0 BDADRP [NH3+]CCCCCCC[NH+]1CCC(O)CC1 ZINC000903752717 584795812 /nfs/dbraw/zinc/79/58/12/584795812.db2.gz UUMVPURBHQOGDI-UHFFFAOYSA-N 2 0 214.353 1.352 20 0 BDADRP COC(=O)[C@@H](C)C[N@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000903752911 584795995 /nfs/dbraw/zinc/79/59/95/584795995.db2.gz PZVQODPPLDHYHU-NWDGAFQWSA-N 2 0 242.363 1.117 20 0 BDADRP CC[C@@H]1CC[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903734084 584796279 /nfs/dbraw/zinc/79/62/79/584796279.db2.gz UYLQLMWGOYOFDU-MCIONIFRSA-N 2 0 238.375 1.487 20 0 BDADRP CCC[C@H]1C[NH2+]CCN1C[C@H]1CCCC[NH2+]C1 ZINC000903743342 584796651 /nfs/dbraw/zinc/79/66/51/584796651.db2.gz ISOJMIOBVZFFFR-KBPBESRZSA-N 2 0 239.407 1.450 20 0 BDADRP CC[C@H](C)[N@H+](CC)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903767924 584797853 /nfs/dbraw/zinc/79/78/53/584797853.db2.gz JNDHCOJBXVXHGQ-BFHYXJOUSA-N 2 0 240.391 1.875 20 0 BDADRP C[N@H+](CCCF)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903784223 584800333 /nfs/dbraw/zinc/80/03/33/584800333.db2.gz LXUXCRAZVARDHB-NEPJUHHUSA-N 2 0 230.327 1.046 20 0 BDADRP [NH3+]C[C@@]12CC[C@@H]1CCCN2CCC[NH2+]C1CC1 ZINC000903804751 584802536 /nfs/dbraw/zinc/80/25/36/584802536.db2.gz JEGCBBUHRPTNIA-JSGCOSHPSA-N 2 0 237.391 1.332 20 0 BDADRP C[C@@H]1CSCCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903831909 584806330 /nfs/dbraw/zinc/80/63/30/584806330.db2.gz NPDDZIPPWNGBTP-UTUOFQBUSA-N 2 0 228.405 1.941 20 0 BDADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000903843356 584807475 /nfs/dbraw/zinc/80/74/75/584807475.db2.gz JHKZCCAJYBOERI-RQJABVFESA-N 3 0 237.391 1.188 20 0 BDADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCOCC(F)F)C2 ZINC000903843736 584807534 /nfs/dbraw/zinc/80/75/34/584807534.db2.gz RMRKDELNBZCHFJ-AEJSXWLSSA-N 2 0 234.290 1.080 20 0 BDADRP C[C@@H]1CC=CC[C@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000903850271 584808405 /nfs/dbraw/zinc/80/84/05/584808405.db2.gz NOKQXRCOYHZNSI-JHJVBQTASA-N 2 0 208.349 1.930 20 0 BDADRP NC[C@]12CC[C@@H]1CC[N@@H+]2CC[C@@H]1CCC[NH2+]C1 ZINC000903857943 584810129 /nfs/dbraw/zinc/81/01/29/584810129.db2.gz GXKZYHDUBMWFCZ-BFHYXJOUSA-N 2 0 237.391 1.189 20 0 BDADRP Cc1cc(CN2CC[C@@H]3CC[C@@]32C[NH3+])c(C)nn1 ZINC000903862632 584813037 /nfs/dbraw/zinc/81/30/37/584813037.db2.gz AXMJBNNUANQZAI-UONOGXRCSA-N 2 0 246.358 1.407 20 0 BDADRP CC(C)(C)CN(CCO)C[C@H]([NH3+])CC(F)F ZINC000903891666 584813720 /nfs/dbraw/zinc/81/37/20/584813720.db2.gz NDVDQOQXMLPRFX-SECBINFHSA-N 2 0 238.322 1.309 20 0 BDADRP C[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)CC1CC1 ZINC000903886288 584819245 /nfs/dbraw/zinc/81/92/45/584819245.db2.gz OOCXCNQSYKFLHI-GFCCVEGCSA-N 2 0 249.362 1.044 20 0 BDADRP C[C@@H](O)C(C)(C)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903902166 584820754 /nfs/dbraw/zinc/82/07/54/584820754.db2.gz DLCXRXOQZOBDKQ-LLVKDONJSA-N 2 0 248.370 1.581 20 0 BDADRP C[N@H+](CCCCCO)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903909874 584821547 /nfs/dbraw/zinc/82/15/47/584821547.db2.gz HMBRBJRHWUUBOK-AGUYFDCRSA-N 2 0 240.391 1.611 20 0 BDADRP C(C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[NH2+]C1CC1 ZINC000903918619 584822247 /nfs/dbraw/zinc/82/22/47/584822247.db2.gz CUSXXHAJVLFKHP-QXMXGUDHSA-N 3 0 237.391 1.249 20 0 BDADRP C[C@H](CC[NH3+])[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903919020 584823121 /nfs/dbraw/zinc/82/31/21/584823121.db2.gz KLEMLQBOBUGPCM-LLVKDONJSA-N 3 0 233.359 1.159 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903920929 584823184 /nfs/dbraw/zinc/82/31/84/584823184.db2.gz XYECGLCFENOOLF-FUDCBSFHSA-N 3 0 239.407 1.624 20 0 BDADRP [NH3+]Cc1ccc(NC[C@@H]([NH3+])CC(F)F)cc1 ZINC000903920391 584823194 /nfs/dbraw/zinc/82/31/94/584823194.db2.gz UHAIVIMVHPNAKP-VIFPVBQESA-N 2 0 229.274 1.540 20 0 BDADRP [NH3+][C@H](C[NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)CC(F)F ZINC000903920239 584823394 /nfs/dbraw/zinc/82/33/94/584823394.db2.gz HOZNDOGJWCHHTH-UKKRHICBSA-N 2 0 248.317 1.516 20 0 BDADRP CC[C@H](C)[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903925838 584823652 /nfs/dbraw/zinc/82/36/52/584823652.db2.gz HSRLMXPPVXWRKV-QWRGUYRKSA-N 2 0 237.351 1.091 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]([NH3+])CC(F)F)[C@@H]1CCCO1 ZINC000903923361 584823671 /nfs/dbraw/zinc/82/36/71/584823671.db2.gz RRPCCWOLHVBRSI-GUBZILKMSA-N 2 0 236.306 1.516 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903923158 584823710 /nfs/dbraw/zinc/82/37/10/584823710.db2.gz MYWQJDHDNJRPNR-VHSXEESVSA-N 2 0 238.322 1.356 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CNC[C@H]([NH3+])CC(F)F ZINC000903923143 584823910 /nfs/dbraw/zinc/82/39/10/584823910.db2.gz MNHOASYSHNPUSF-GHMZBOCLSA-N 2 0 249.349 1.433 20 0 BDADRP [NH3+][C@@H](CN[C@H]1CC[NH2+]C12CCCC2)CC(F)F ZINC000903932877 584824891 /nfs/dbraw/zinc/82/48/91/584824891.db2.gz WVXNPAYCIZHWTI-ZJUUUORDSA-N 2 0 247.333 1.233 20 0 BDADRP [NH3+][C@@]12CCC[C@H]1C[N@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903934016 584825337 /nfs/dbraw/zinc/82/53/37/584825337.db2.gz YWCVWBGVZOPFFJ-SCXOTVEISA-N 2 0 249.402 1.330 20 0 BDADRP C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccnn1C ZINC000903937391 584826142 /nfs/dbraw/zinc/82/61/42/584826142.db2.gz KARARZYXONWFTE-ODWCKFRGSA-N 2 0 248.374 1.601 20 0 BDADRP CC(C)[C@H]1C[C@@H]([NH2+]CCC(C)(C)[NH3+])CCO1 ZINC000903938713 584826218 /nfs/dbraw/zinc/82/62/18/584826218.db2.gz IBBKDROAULCRSO-NWDGAFQWSA-N 2 0 228.380 1.907 20 0 BDADRP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000903917511 584826989 /nfs/dbraw/zinc/82/69/89/584826989.db2.gz MRRUIEKDENGWHE-JALIKCBVSA-N 2 0 249.402 1.202 20 0 BDADRP CCCC[C@H](CN)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903917485 584827232 /nfs/dbraw/zinc/82/72/32/584827232.db2.gz MGYKLTRFZDTFHM-WTUNAVPPSA-N 2 0 239.407 1.624 20 0 BDADRP COC(=O)C1CCC([NH2+]CCC(C)(C)[NH3+])CC1 ZINC000903939676 584828930 /nfs/dbraw/zinc/82/89/30/584828930.db2.gz LANPONIHJLNKTD-UHFFFAOYSA-N 2 0 242.363 1.435 20 0 BDADRP c1cnc(C2([NH2+]CC3CC[NH2+]CC3)CCC2)nc1 ZINC000903948348 584830095 /nfs/dbraw/zinc/83/00/95/584830095.db2.gz OBBMJLLYGCOHPO-UHFFFAOYSA-N 2 0 246.358 1.445 20 0 BDADRP CCC1([NH3+])CCN([C@H]2CCC[NH2+]CC2)CC1 ZINC000903948196 584830310 /nfs/dbraw/zinc/83/03/10/584830310.db2.gz MYHPGANKOKIEEP-LBPRGKRZSA-N 2 0 225.380 1.332 20 0 BDADRP C[C@H]1C[C@H](C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC[NH2+]1 ZINC000903953698 584831190 /nfs/dbraw/zinc/83/11/90/584831190.db2.gz JEPSASZRNGYPIY-VJTDZRGJSA-N 2 0 238.375 1.077 20 0 BDADRP Nc1ccnc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000903953496 584831368 /nfs/dbraw/zinc/83/13/68/584831368.db2.gz GRSNRXKIMCDHBX-VGPLMAKISA-N 2 0 246.358 1.284 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+]Cc2cc(N)ccn2)CC[NH2+]1 ZINC000903953189 584831390 /nfs/dbraw/zinc/83/13/90/584831390.db2.gz BWQHCVJZRUKATE-MNOVXSKESA-N 2 0 234.347 1.142 20 0 BDADRP CCC1([NH+]2CCC2)CCN(CC(C)(C)[NH3+])CC1 ZINC000903954353 584831832 /nfs/dbraw/zinc/83/18/32/584831832.db2.gz RDZACEROTBMCAO-UHFFFAOYSA-N 2 0 239.407 1.674 20 0 BDADRP Nc1ccnc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000903954362 584832309 /nfs/dbraw/zinc/83/23/09/584832309.db2.gz ROXLWJMSTJWCEM-GMXVVIOVSA-N 2 0 246.358 1.142 20 0 BDADRP Cc1ccc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cn1 ZINC000903973402 584832601 /nfs/dbraw/zinc/83/26/01/584832601.db2.gz CNRKNZVBAMZJQJ-BXUZGUMPSA-N 2 0 233.359 1.725 20 0 BDADRP CCOC[C@H](C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903973914 584832688 /nfs/dbraw/zinc/83/26/88/584832688.db2.gz IWJWCFWWBGACNB-GRYCIOLGSA-N 2 0 214.353 1.247 20 0 BDADRP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903978389 584833088 /nfs/dbraw/zinc/83/30/88/584833088.db2.gz NWMJOWMCCRYVBZ-UPJWGTAASA-N 3 0 227.396 1.277 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccc(N)nc2)C[C@H]1CC[NH3+] ZINC000903977278 584833236 /nfs/dbraw/zinc/83/32/36/584833236.db2.gz NVOFVJRXGFYBKY-ZYHUDNBSSA-N 2 0 234.347 1.081 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cnc(N)s1 ZINC000903978437 584833261 /nfs/dbraw/zinc/83/32/61/584833261.db2.gz FNPGAJYBIFNCCI-RKDXNWHRSA-N 2 0 240.376 1.061 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccncc1 ZINC000903963996 584833896 /nfs/dbraw/zinc/83/38/96/584833896.db2.gz DAJMYMBBQUAICJ-PWSUYJOCSA-N 2 0 205.305 1.027 20 0 BDADRP C[C@H]1C[C@H](C[NH2+][C@@H]2CCO[C@H]2C2CC2)CC[NH2+]1 ZINC000903986779 584835317 /nfs/dbraw/zinc/83/53/17/584835317.db2.gz RYDCMORXJFRICN-UNJBNNCHSA-N 2 0 238.375 1.532 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@H](N)C(C)(C)C2)CC[NH2+]1 ZINC000903987035 584835359 /nfs/dbraw/zinc/83/53/59/584835359.db2.gz XBBQLRXBOXQKLX-UTUOFQBUSA-N 2 0 225.380 1.044 20 0 BDADRP C[NH2+]C[C@H]1CCCN(C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904299302 584860200 /nfs/dbraw/zinc/86/02/00/584860200.db2.gz AMGINFSYAFCVQT-KGLIPLIRSA-N 2 0 239.407 1.308 20 0 BDADRP C[C@@H]1CN(C[C@@]2(C)CCC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC000904299624 584860846 /nfs/dbraw/zinc/86/08/46/584860846.db2.gz JWSLAOPQVNVLQC-XQQFMLRXSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCN(C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC000904301063 584861489 /nfs/dbraw/zinc/86/14/89/584861489.db2.gz FRNRQQLIOJMRLR-XQQFMLRXSA-N 3 0 241.423 1.809 20 0 BDADRP CCN(CCO)C[C@H]([NH3+])CCC(C)(C)C ZINC000904302471 584861701 /nfs/dbraw/zinc/86/17/01/584861701.db2.gz UQKDQFHOJLDLEQ-LLVKDONJSA-N 2 0 216.369 1.454 20 0 BDADRP CN(CCO)C[C@H]([NH3+])CCC(C)(C)C ZINC000904302914 584861786 /nfs/dbraw/zinc/86/17/86/584861786.db2.gz ZPXKWCJONGKUHN-SNVBAGLBSA-N 2 0 202.342 1.064 20 0 BDADRP CN(CCO)C[C@@H]([NH3+])CCC(C)(C)C ZINC000904302913 584861949 /nfs/dbraw/zinc/86/19/49/584861949.db2.gz ZPXKWCJONGKUHN-JTQLQIEISA-N 2 0 202.342 1.064 20 0 BDADRP CNC(=O)CCN(C)C[C@H]([NH3+])CCC(C)(C)C ZINC000904316361 584862137 /nfs/dbraw/zinc/86/21/37/584862137.db2.gz MZLRXZXXTUCGKR-LLVKDONJSA-N 2 0 243.395 1.208 20 0 BDADRP COC(=O)[C@@H](C)C[N@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904311818 584862677 /nfs/dbraw/zinc/86/26/77/584862677.db2.gz HTQVNNHHQXBCQO-WCQYABFASA-N 2 0 242.363 1.117 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@H+](CCCO)Cc2ccccc2)C1 ZINC000904316132 584863196 /nfs/dbraw/zinc/86/31/96/584863196.db2.gz LAFADKBFHCNFLM-GASCZTMLSA-N 2 0 248.370 1.608 20 0 BDADRP Cc1cc([C@@H]2CCC[N@@H+]2C[C@H]2C[C@@H]([NH3+])C2)on1 ZINC000904312747 584863282 /nfs/dbraw/zinc/86/32/82/584863282.db2.gz SDDKBMSEIBGLLG-TUAOUCFPSA-N 2 0 235.331 1.857 20 0 BDADRP CCC[NH+]1CCC([N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904313679 584863515 /nfs/dbraw/zinc/86/35/15/584863515.db2.gz XUHYEHRWJJYSLD-BETUJISGSA-N 3 0 239.407 1.530 20 0 BDADRP COc1ccc2c(c1)C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)CC2 ZINC000904314243 584863616 /nfs/dbraw/zinc/86/36/16/584863616.db2.gz UUYISZORWZUQOD-VDISTLRHSA-N 2 0 246.354 1.791 20 0 BDADRP C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H](CCO)c1ccccc1 ZINC000904321909 584864659 /nfs/dbraw/zinc/86/46/59/584864659.db2.gz KBRLBHAGMOGITJ-VHDGCEQUSA-N 2 0 248.370 1.779 20 0 BDADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904325403 584865195 /nfs/dbraw/zinc/86/51/95/584865195.db2.gz YIIUDHTVBKULKM-MCIONIFRSA-N 3 0 239.407 1.387 20 0 BDADRP Cn1ncc2c1CCC[C@H]2[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904327103 584865566 /nfs/dbraw/zinc/86/55/66/584865566.db2.gz YZEJFMLLWVVJSW-NTZNESFSSA-N 2 0 248.374 1.467 20 0 BDADRP C[C@H](O)C(C)(C)[NH2+]C[C@@H]([NH3+])CCC(C)(C)C ZINC000904330079 584865867 /nfs/dbraw/zinc/86/58/67/584865867.db2.gz YLRWVBZAYZTLOC-QWRGUYRKSA-N 2 0 230.396 1.889 20 0 BDADRP COC(=O)[C@H]1CCCCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904332884 584866152 /nfs/dbraw/zinc/86/61/52/584866152.db2.gz SHRMZEMWSFAMRM-GRYCIOLGSA-N 2 0 240.347 1.141 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CN1CC[C@](C)(C[NH3+])C1 ZINC000904334558 584866691 /nfs/dbraw/zinc/86/66/91/584866691.db2.gz ZBBQSWMXPOUMSF-TZMCWYRMSA-N 2 0 241.423 1.811 20 0 BDADRP C[C@]1(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)CCC[NH2+]C1 ZINC000904334188 584866818 /nfs/dbraw/zinc/86/68/18/584866818.db2.gz OOFHKDZYDGYAPC-MJBXVCDLSA-N 2 0 237.391 1.202 20 0 BDADRP C[N@H+](CCCCCO)C[C@@]1(C)CCC[NH2+]C1 ZINC000904341968 584867004 /nfs/dbraw/zinc/86/70/04/584867004.db2.gz SMGIUPXAIJPWCD-ZDUSSCGKSA-N 2 0 228.380 1.471 20 0 BDADRP C[C@@H]1C[N@H+](C[C@]2(C)CCC[NH2+]C2)CC[C@H]1O ZINC000904341481 584867541 /nfs/dbraw/zinc/86/75/41/584867541.db2.gz RWKLUHKDQLUERY-JHJVBQTASA-N 2 0 226.364 1.079 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+]CC[NH2+]C2CCCCCC2)C1 ZINC000904349653 584868724 /nfs/dbraw/zinc/86/87/24/584868724.db2.gz CFYXUIZFGQJDKK-BETUJISGSA-N 3 0 239.407 1.626 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCN1Cc1ccc(C[NH3+])cc1 ZINC000904349833 584868775 /nfs/dbraw/zinc/86/87/75/584868775.db2.gz CXIIFNWTUNSCAW-ZWNOBZJWSA-N 2 0 219.332 1.067 20 0 BDADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C[C@@]1(C)CCC[NH2+]C1 ZINC000904350202 584868837 /nfs/dbraw/zinc/86/88/37/584868837.db2.gz IGUIDDAXSVJYFC-AVGNSLFASA-N 2 0 243.370 1.008 20 0 BDADRP C[C@H]1CN(Cc2ccc(C[NH3+])cc2)[C@@H](C)C[NH2+]1 ZINC000904349811 584868887 /nfs/dbraw/zinc/86/88/87/584868887.db2.gz CKICVZCFUYDBFH-RYUDHWBXSA-N 2 0 233.359 1.328 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC2CC(C[NH3+])C2)cc1 ZINC000904350449 584869105 /nfs/dbraw/zinc/86/91/05/584869105.db2.gz LRKNADYMXCZEAS-JBLZRFIASA-N 2 0 219.332 1.856 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000904353592 584869720 /nfs/dbraw/zinc/86/97/20/584869720.db2.gz OFPKNLNJYLVEDQ-QWHCGFSZSA-N 2 0 241.423 1.729 20 0 BDADRP COc1cc(NC[C@H]2C[C@@H]([NH3+])C2)ccc1N ZINC000904353563 584869813 /nfs/dbraw/zinc/86/98/13/584869813.db2.gz NLYKRIUOLNRDNK-DTORHVGOSA-N 2 0 221.304 1.427 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000904354160 584870366 /nfs/dbraw/zinc/87/03/66/584870366.db2.gz BQWGAUMCYFPITL-NWDGAFQWSA-N 3 0 213.369 1.093 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000904354508 584870540 /nfs/dbraw/zinc/87/05/40/584870540.db2.gz AJSVNNBXKNNBAY-RWMBFGLXSA-N 2 0 241.423 2.000 20 0 BDADRP C[C@H](CC[NH3+])NC[C@H]([NH3+])CCC(C)(C)C ZINC000904355388 584870665 /nfs/dbraw/zinc/87/06/65/584870665.db2.gz NAIOREJYPIRSIJ-GHMZBOCLSA-N 2 0 215.385 1.467 20 0 BDADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2nccn2C2CC2)C1 ZINC000904355362 584870764 /nfs/dbraw/zinc/87/07/64/584870764.db2.gz QTISNDZILUFHNX-GHMZBOCLSA-N 2 0 234.347 1.435 20 0 BDADRP C[C@@H]([NH2+]C1CC(C[NH3+])C1)C1CCOCC1 ZINC000904359559 584871658 /nfs/dbraw/zinc/87/16/58/584871658.db2.gz BGBVADLAXJVVRO-GRZMOONWSA-N 2 0 212.337 1.128 20 0 BDADRP [NH3+]Cc1ccc(CN[C@@H]2CCCC[NH2+]C2)cc1 ZINC000904358310 584872318 /nfs/dbraw/zinc/87/23/18/584872318.db2.gz KITDFGVQXUAQLR-CQSZACIVSA-N 2 0 233.359 1.377 20 0 BDADRP C[C@@]1(C[NH2+]CCCn2ccnc2)CCC[NH2+]C1 ZINC000904367504 584872629 /nfs/dbraw/zinc/87/26/29/584872629.db2.gz DAOYNLLTTPCRGZ-CYBMUJFWSA-N 2 0 236.363 1.253 20 0 BDADRP Cc1ccc(C[C@@H](CO)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000904368052 584872735 /nfs/dbraw/zinc/87/27/35/584872735.db2.gz HBXHENXEUJPBKJ-ZNMIVQPWSA-N 2 0 248.370 1.225 20 0 BDADRP C[C@H]([NH2+]C1CC(C[NH3+])C1)c1ccccn1 ZINC000904367806 584872931 /nfs/dbraw/zinc/87/29/31/584872931.db2.gz JTLPISRWHWXPNA-WHXUTIOJSA-N 2 0 205.305 1.470 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC[C@@H]([NH3+])CCC(C)(C)C ZINC000904373878 584873667 /nfs/dbraw/zinc/87/36/67/584873667.db2.gz LAYNMIZTYOHNCD-SRVKXCTJSA-N 2 0 229.412 1.855 20 0 BDADRP CC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCCO1 ZINC000904362970 584874293 /nfs/dbraw/zinc/87/42/93/584874293.db2.gz VOICOMMXLVDURM-KXNHARMFSA-N 2 0 212.337 1.271 20 0 BDADRP Cc1ccc(C[NH2+]C2CC(C[NH3+])C2)s1 ZINC000904363120 584874411 /nfs/dbraw/zinc/87/44/11/584874411.db2.gz BJFDNFIPDBLUOZ-UHFFFAOYSA-N 2 0 210.346 1.883 20 0 BDADRP [NH3+]CC1CC([NH2+]CCc2ccccc2)C1 ZINC000904364716 584874633 /nfs/dbraw/zinc/87/46/33/584874633.db2.gz PIXVWCMYRHJBEE-UHFFFAOYSA-N 2 0 204.317 1.556 20 0 BDADRP CN(CC(C)(C)[NH3+])C[C@]1(C)CCC[NH2+]C1 ZINC000904377158 584875838 /nfs/dbraw/zinc/87/58/38/584875838.db2.gz JSDQXNBNPNXFHY-GFCCVEGCSA-N 2 0 213.369 1.045 20 0 BDADRP [NH3+]Cc1ccc(CN[C@@H](C[NH3+])C(F)(F)F)cc1 ZINC000904377340 584876171 /nfs/dbraw/zinc/87/61/71/584876171.db2.gz NWETYCITLMKLMF-JTQLQIEISA-N 2 0 247.264 1.125 20 0 BDADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(C[NH3+])cc1 ZINC000904376504 584876365 /nfs/dbraw/zinc/87/63/65/584876365.db2.gz UVNDMPQARZSZDY-FZMZJTMJSA-N 3 0 233.359 1.457 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1NC[C@@]1(C)CCC[NH2+]C1 ZINC000904379878 584876488 /nfs/dbraw/zinc/87/64/88/584876488.db2.gz DQQXFOHJUXDVIM-XQQFMLRXSA-N 2 0 225.380 1.106 20 0 BDADRP [NH3+]Cc1ccc(CN2C[C@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000904380153 584876802 /nfs/dbraw/zinc/87/68/02/584876802.db2.gz JIZUDONORIAXLR-CABCVRRESA-N 2 0 245.370 1.459 20 0 BDADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1ccc(C[NH3+])cc1)C2 ZINC000904384704 584877535 /nfs/dbraw/zinc/87/75/35/584877535.db2.gz MQQRVNVDDPNACE-LSDHHAIUSA-N 3 0 245.370 1.187 20 0 BDADRP C[N@H+](CCCCCC[NH3+])Cc1ccc(N)nn1 ZINC000904383836 584877549 /nfs/dbraw/zinc/87/75/49/584877549.db2.gz FNWUVPWLTWFLQI-UHFFFAOYSA-N 2 0 237.351 1.010 20 0 BDADRP [NH3+]CC1CC([NH2+]Cc2cc(C3CC3)no2)C1 ZINC000904386295 584877721 /nfs/dbraw/zinc/87/77/21/584877721.db2.gz VQWFKDNHTZSLPV-UHFFFAOYSA-N 2 0 221.304 1.379 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@H]3CSC[C@H]3C2)C1 ZINC000904385233 584877879 /nfs/dbraw/zinc/87/78/79/584877879.db2.gz VQDGRUBBFHWAKV-NNYUYHANSA-N 2 0 226.389 1.409 20 0 BDADRP C(=C/c1ccccc1)\CN1CC[NH2+]CC[NH2+]CC1 ZINC000904399078 584878275 /nfs/dbraw/zinc/87/82/75/584878275.db2.gz ZABIBCSZUFSMLT-QPJJXVBHSA-N 2 0 245.370 1.195 20 0 BDADRP C[C@@H]1C[N@H+](CC2(F)CC2)CC[C@H]1C[NH3+] ZINC000904409746 584878992 /nfs/dbraw/zinc/87/89/92/584878992.db2.gz HMDWKTTZKSMIMH-ZJUUUORDSA-N 2 0 200.301 1.405 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCSC2)CC[C@H]1C[NH3+] ZINC000904410927 584879090 /nfs/dbraw/zinc/87/90/90/584879090.db2.gz RSKDDXOKMPUQJV-WOPDTQHZSA-N 2 0 228.405 1.656 20 0 BDADRP Cc1ccc(O)c(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)n1 ZINC000904412927 584879993 /nfs/dbraw/zinc/87/99/93/584879993.db2.gz ZKDVZUGUQGZCPL-CMPLNLGQSA-N 2 0 249.358 1.512 20 0 BDADRP C([C@@H]1CCSC1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420509 584882155 /nfs/dbraw/zinc/88/21/55/584882155.db2.gz RBEIZCVXEMCOCY-SDDRHHMPSA-N 2 0 226.389 1.281 20 0 BDADRP CC(C)[C@H](C[NH+](C)C)NC(=O)C[N@H+](C)C(C)C ZINC000733163712 584943860 /nfs/dbraw/zinc/94/38/60/584943860.db2.gz HGYRTOGXVNSISL-LBPRGKRZSA-N 2 0 243.395 1.029 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CC2(O)CCCC2)CC[N@@H+]1C ZINC000156301388 585021815 /nfs/dbraw/zinc/02/18/15/585021815.db2.gz VQDYKPIHOHQMRG-RYUDHWBXSA-N 2 0 226.364 1.364 20 0 BDADRP COCC[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000361674982 585025138 /nfs/dbraw/zinc/02/51/38/585025138.db2.gz JBCWAYDKFXECLB-MJBXVCDLSA-N 2 0 240.391 1.828 20 0 BDADRP C[C@@H](CCO)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000840810132 585048797 /nfs/dbraw/zinc/04/87/97/585048797.db2.gz QIVCZJHYZGMNOD-NWDGAFQWSA-N 2 0 214.353 1.079 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC000886830621 585181049 /nfs/dbraw/zinc/18/10/49/585181049.db2.gz VEBGOQKZNVYOEL-RFQIPJPRSA-N 2 0 238.375 1.472 20 0 BDADRP C[NH+](C)Cc1ccc(C[N@H+](C)CCO)cc1 ZINC000768136700 585532864 /nfs/dbraw/zinc/53/28/64/585532864.db2.gz CDDQEFIIELTBBO-UHFFFAOYSA-N 2 0 222.332 1.172 20 0 BDADRP C[N@H+](CC1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000770510866 585575301 /nfs/dbraw/zinc/57/53/01/585575301.db2.gz SWXQFLZQFRUDTM-GFCCVEGCSA-N 2 0 212.337 1.049 20 0 BDADRP CN(CC[N@H+](C)C1CC1)CC[NH+]1CCCC1 ZINC000770684283 585579781 /nfs/dbraw/zinc/57/97/81/585579781.db2.gz BIDXYLXNVDTEJJ-UHFFFAOYSA-N 2 0 225.380 1.108 20 0 BDADRP C[C@@H]1[C@@H](C)[N@H+](C)CCN1CC[NH+]1CCCC1 ZINC000771458167 585594762 /nfs/dbraw/zinc/59/47/62/585594762.db2.gz CZBPWWOVAGVOTF-CHWSQXEVSA-N 2 0 225.380 1.107 20 0 BDADRP c1nncn1CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000776759749 585704578 /nfs/dbraw/zinc/70/45/78/585704578.db2.gz DGLINGUPXWKFBZ-ZDUSSCGKSA-N 2 0 249.362 1.186 20 0 BDADRP C[C@@H](CCO)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000779343363 585752200 /nfs/dbraw/zinc/75/22/00/585752200.db2.gz XGYDQHYVDNQNKY-KBPBESRZSA-N 2 0 242.407 1.859 20 0 BDADRP COC1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC000788471914 585925190 /nfs/dbraw/zinc/92/51/90/585925190.db2.gz WXKIKAATYVKWOR-UHFFFAOYSA-N 2 0 226.364 1.439 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CC[C@]3(CCOC3)C2)CC1 ZINC000788489124 585925578 /nfs/dbraw/zinc/92/55/78/585925578.db2.gz VOHDITQIOJLIKC-AWEZNQCLSA-N 2 0 238.375 1.441 20 0 BDADRP CC[C@](C)(CC(=O)OC)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000843069837 585943869 /nfs/dbraw/zinc/94/38/69/585943869.db2.gz STCHYEOAALNZCV-WCQYABFASA-N 2 0 242.363 1.307 20 0 BDADRP Cc1cc([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)n(C)n1 ZINC000793549488 586022850 /nfs/dbraw/zinc/02/28/50/586022850.db2.gz XMBWCYXNNYVZMD-GFCCVEGCSA-N 2 0 248.374 1.641 20 0 BDADRP CC[N@@H+]1CCN(CC[NH+]2CCCC2)[C@H](C)C1 ZINC000796315631 586100390 /nfs/dbraw/zinc/10/03/90/586100390.db2.gz JFPUIZOMZSVTHD-CYBMUJFWSA-N 2 0 225.380 1.108 20 0 BDADRP C[N@@H+]1CC[C@H](NCc2ccon2)[C@@H]2CCC[C@@H]21 ZINC000796788363 586112616 /nfs/dbraw/zinc/11/26/16/586112616.db2.gz JLSZVDOMDRRHCI-AVGNSLFASA-N 2 0 235.331 1.637 20 0 BDADRP CC[C@H](O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000799302912 586170083 /nfs/dbraw/zinc/17/00/83/586170083.db2.gz BQQRLVDZLLNOBY-KGLIPLIRSA-N 2 0 240.391 1.708 20 0 BDADRP C[C@@H](O)c1ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000817893551 586832447 /nfs/dbraw/zinc/83/24/47/586832447.db2.gz GWKQEXWRTKFTCK-SDDRHHMPSA-N 2 0 236.359 1.955 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1COc2ccccc2C1 ZINC000817892646 586833459 /nfs/dbraw/zinc/83/34/59/586833459.db2.gz VWFSFBNPLMNDDX-RWMBFGLXSA-N 2 0 248.370 1.953 20 0 BDADRP Cc1ccc([C@H](O)C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000817893314 586833638 /nfs/dbraw/zinc/83/36/38/586833638.db2.gz RBFMTAFRCZXUAQ-SGMGOOAPSA-N 2 0 236.359 1.744 20 0 BDADRP Cc1ccc([C@H](O)C[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000817893776 586833928 /nfs/dbraw/zinc/83/39/28/586833928.db2.gz VNLLBRUOFYYKBD-SMDDNHRTSA-N 2 0 234.343 1.226 20 0 BDADRP CCc1cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])[nH]n1 ZINC000817893350 586833975 /nfs/dbraw/zinc/83/39/75/586833975.db2.gz SFMASUKGUYIHDA-DTWKUNHWSA-N 2 0 210.325 1.188 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000817901545 586835893 /nfs/dbraw/zinc/83/58/93/586835893.db2.gz WTZQFJKOPBZGBH-OPQQBVKSSA-N 2 0 240.322 1.575 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCNc1ccccc1 ZINC000817901479 586836085 /nfs/dbraw/zinc/83/60/85/586836085.db2.gz WJSJJCPPFBXZBD-STQMWFEESA-N 2 0 219.332 1.568 20 0 BDADRP C[C@@H]([NH2+]CCNc1ccccc1)C1C[NH2+]C1 ZINC000817900366 586836233 /nfs/dbraw/zinc/83/62/33/586836233.db2.gz MMBLODBJQSDZSZ-LLVKDONJSA-N 2 0 219.332 1.296 20 0 BDADRP CC(C)C[C@H](O)C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000817905125 586837263 /nfs/dbraw/zinc/83/72/63/586837263.db2.gz BLBQBPHBYIMWIB-RWMBFGLXSA-N 2 0 228.380 1.643 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NC[C@H](C)[NH+]1CCCCC1 ZINC000817913897 586838938 /nfs/dbraw/zinc/83/89/38/586838938.db2.gz PZCPYQDQJCSTOA-XQQFMLRXSA-N 2 0 227.396 1.576 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000817913929 586839837 /nfs/dbraw/zinc/83/98/37/586839837.db2.gz RLZLJWQBOZDVDG-HOSYDEDBSA-N 2 0 242.388 1.671 20 0 BDADRP Cc1ccc([C@@H](O)C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000817926669 586841569 /nfs/dbraw/zinc/84/15/69/586841569.db2.gz RBFMTAFRCZXUAQ-DYEKYZERSA-N 2 0 236.359 1.744 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817948272 586846688 /nfs/dbraw/zinc/84/66/88/586846688.db2.gz IAQBQBUZAIGQRL-NWDGAFQWSA-N 3 0 235.375 1.403 20 0 BDADRP C[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)[C@@H]1CCCO1 ZINC000817948986 586847056 /nfs/dbraw/zinc/84/70/56/586847056.db2.gz MXEDJKPCPLLQNZ-WFASDCNBSA-N 2 0 248.370 1.845 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CC[NH3+])cc2)CCO1 ZINC000817948771 586847323 /nfs/dbraw/zinc/84/73/23/586847323.db2.gz LKFSOGINAJBZID-DOMZBBRYSA-N 2 0 248.370 1.845 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000817962651 586852626 /nfs/dbraw/zinc/85/26/26/586852626.db2.gz MZNCAFZJRURVSV-MNOVXSKESA-N 2 0 234.343 1.867 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000817962190 586852770 /nfs/dbraw/zinc/85/27/70/586852770.db2.gz IJCWXLFVRIMWDF-BDAKNGLRSA-N 2 0 227.739 1.980 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000817962652 586853026 /nfs/dbraw/zinc/85/30/26/586853026.db2.gz MZNCAFZJRURVSV-QWRGUYRKSA-N 2 0 234.343 1.867 20 0 BDADRP CC(C)[NH+](CCC[NH2+]C[C@@H](O)C1CC1)C(C)C ZINC000819124845 586931784 /nfs/dbraw/zinc/93/17/84/586931784.db2.gz AIWCCIBXUUQVGE-CQSZACIVSA-N 2 0 242.407 1.856 20 0 BDADRP C[C@@H](CC[NH2+]C[C@@H](O)C1CC1)[NH+]1CCCCC1 ZINC000819231511 586941017 /nfs/dbraw/zinc/94/10/17/586941017.db2.gz XNUZXQUTSVUHQD-GXTWGEPZSA-N 2 0 240.391 1.611 20 0 BDADRP O[C@@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)C1CC1 ZINC000819267531 586945223 /nfs/dbraw/zinc/94/52/23/586945223.db2.gz KYWDWZYYQSNCRF-AWEZNQCLSA-N 2 0 238.375 1.221 20 0 BDADRP C[C@@H](O)C[NH2+]CCCCCCC[NH+](C)C ZINC000819388490 586960213 /nfs/dbraw/zinc/96/02/13/586960213.db2.gz HHOFGZTUNHBPAY-GFCCVEGCSA-N 2 0 216.369 1.469 20 0 BDADRP COC(C)(C)C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000820796798 587072651 /nfs/dbraw/zinc/07/26/51/587072651.db2.gz VAQFXALPMJGQOY-UHFFFAOYSA-N 2 0 228.380 1.685 20 0 BDADRP CO[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](C[NH+](C)C)C2)C1 ZINC000821401976 587116965 /nfs/dbraw/zinc/11/69/65/587116965.db2.gz JXJHIECFRBYICY-JHJVBQTASA-N 2 0 226.364 1.437 20 0 BDADRP CCC[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000830028103 587532500 /nfs/dbraw/zinc/53/25/00/587532500.db2.gz DZMQGRGYRWLYAV-KGLIPLIRSA-N 2 0 240.391 1.565 20 0 BDADRP CCCCCC[N@H+](C)CC(=O)NCC[C@H](C)[NH3+] ZINC000832565346 587667255 /nfs/dbraw/zinc/66/72/55/587667255.db2.gz NLUSSDRGRFKCIG-LBPRGKRZSA-N 2 0 243.395 1.352 20 0 BDADRP C[C@H]1CN(C(=O)CCCCCC[NH3+])CC[C@H]1[NH3+] ZINC000832737421 587681427 /nfs/dbraw/zinc/68/14/27/587681427.db2.gz UXBJNLLUOOIGCD-NWDGAFQWSA-N 2 0 241.379 1.091 20 0 BDADRP C[C@H](Cc1cnccn1)[NH2+]CCN1CCC[C@H]1C ZINC000834607176 587760681 /nfs/dbraw/zinc/76/06/81/587760681.db2.gz SCWJAAQEFDEKPF-CHWSQXEVSA-N 2 0 248.374 1.482 20 0 BDADRP C[C@@H]1C[C@H](NC(=O)CCCCCC[NH3+])CC[NH2+]1 ZINC000834672422 587763532 /nfs/dbraw/zinc/76/35/32/587763532.db2.gz CILSEYCWOVWBPE-VXGBXAGGSA-N 2 0 241.379 1.152 20 0 BDADRP C[C@H]1C[C@H](NC(=O)CCCCCC[NH3+])CC[NH2+]1 ZINC000834672418 587763628 /nfs/dbraw/zinc/76/36/28/587763628.db2.gz CILSEYCWOVWBPE-NWDGAFQWSA-N 2 0 241.379 1.152 20 0 BDADRP C[C@]1(C[NH3+])CCN(C(=O)CCCCCC[NH3+])C1 ZINC000834723182 587764995 /nfs/dbraw/zinc/76/49/95/587764995.db2.gz UQVSVGCVEHWVHD-CYBMUJFWSA-N 2 0 241.379 1.093 20 0 BDADRP COC(=O)CC(C)(C)[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000841009844 587934641 /nfs/dbraw/zinc/93/46/41/587934641.db2.gz IBIQWKLNBAQGJU-GHMZBOCLSA-N 2 0 242.363 1.306 20 0 BDADRP CCOC[C@@H](C)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841032167 587937205 /nfs/dbraw/zinc/93/72/05/587937205.db2.gz NTOYAXSTKFLLCE-GFCCVEGCSA-N 2 0 236.359 1.702 20 0 BDADRP Cc1cc(C[NH2+][C@H](C)CC[NH3+])cnc1Cl ZINC000841050249 587940182 /nfs/dbraw/zinc/94/01/82/587940182.db2.gz IEXSAWXWVMLTSA-SECBINFHSA-N 2 0 227.739 1.870 20 0 BDADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000841076940 587943823 /nfs/dbraw/zinc/94/38/23/587943823.db2.gz UHOASAODHHDFAJ-HHKYUTTNSA-N 2 0 246.445 1.691 20 0 BDADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000841076938 587944124 /nfs/dbraw/zinc/94/41/24/587944124.db2.gz UHOASAODHHDFAJ-DAWVFNFOSA-N 2 0 246.445 1.691 20 0 BDADRP [NH3+]CCCCCCC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000841851909 587978391 /nfs/dbraw/zinc/97/83/91/587978391.db2.gz RMFUFYIRCOVAEB-RYUDHWBXSA-N 2 0 241.379 1.282 20 0 BDADRP [NH3+][C@@H](Cc1nc(C2([NH3+])CCCC2)no1)C1CC1 ZINC000842590864 588044978 /nfs/dbraw/zinc/04/49/78/588044978.db2.gz YLLMEXNXBCJZEG-VIFPVBQESA-N 2 0 236.319 1.077 20 0 BDADRP c1ccc([C@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)nc1 ZINC000843113925 588082305 /nfs/dbraw/zinc/08/23/05/588082305.db2.gz BOCOUEUZNCGUQY-KGLIPLIRSA-N 2 0 245.370 1.871 20 0 BDADRP C[C@]1(C[NH2+]C[C@@H](O)c2ccsc2)CC[NH2+]C1 ZINC000843125495 588083975 /nfs/dbraw/zinc/08/39/75/588083975.db2.gz AQJVUQJDDZAIJF-NEPJUHHUSA-N 2 0 240.372 1.371 20 0 BDADRP C[C@@]1(CNc2ccc(OCC[NH3+])cc2)CC[NH2+]C1 ZINC000843126681 588084188 /nfs/dbraw/zinc/08/41/88/588084188.db2.gz TYOAOROTFSOVFG-CQSZACIVSA-N 2 0 249.358 1.436 20 0 BDADRP [NH3+]CCOc1ccc(N[C@H]2CCC[NH2+]C2)cc1 ZINC000843126687 588084521 /nfs/dbraw/zinc/08/45/21/588084521.db2.gz UGRRVBPRUWPWRY-LBPRGKRZSA-N 2 0 235.331 1.188 20 0 BDADRP [NH3+]CCCCCC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000843128128 588085067 /nfs/dbraw/zinc/08/50/67/588085067.db2.gz IAHOGLQUWYYHQN-GFCCVEGCSA-N 3 0 213.369 1.237 20 0 BDADRP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]CCCCCC[NH3+] ZINC000843128431 588085140 /nfs/dbraw/zinc/08/51/40/588085140.db2.gz JHUCHZISHXIPPF-STQMWFEESA-N 3 0 227.396 1.626 20 0 BDADRP Cn1ncc(Cl)c1C[NH2+]CCCCCC[NH3+] ZINC000843129919 588085788 /nfs/dbraw/zinc/08/57/88/588085788.db2.gz UNAFUCPONFGGQF-UHFFFAOYSA-N 2 0 244.770 1.682 20 0 BDADRP CCc1nc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)co1 ZINC000843339840 588100555 /nfs/dbraw/zinc/10/05/55/588100555.db2.gz HHXIZDXEXDXIQC-QJPTWQEYSA-N 2 0 249.358 1.715 20 0 BDADRP C[C@@H]1CCNC[C@H]1[NH2+]CCCCCC[NH3+] ZINC000843343710 588101582 /nfs/dbraw/zinc/10/15/82/588101582.db2.gz FSOPBGDOCSKRHH-VXGBXAGGSA-N 2 0 213.369 1.093 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCCCCC[NH3+])[C@@H](C)O1 ZINC000843342947 588101607 /nfs/dbraw/zinc/10/16/07/588101607.db2.gz VPSGQUAXCWQVRL-UTUOFQBUSA-N 2 0 214.353 1.661 20 0 BDADRP [NH3+]CCCCCC[NH2+]C1CCN(C2CC2)CC1 ZINC000843344369 588102208 /nfs/dbraw/zinc/10/22/08/588102208.db2.gz XSVLBNYEHKYXCR-UHFFFAOYSA-N 2 0 239.407 1.722 20 0 BDADRP CCCCOC(=O)CC[NH+]1CCC(C)([NH3+])CC1 ZINC000843375339 588104863 /nfs/dbraw/zinc/10/48/63/588104863.db2.gz ILYRONSICOSUES-UHFFFAOYSA-N 2 0 242.363 1.533 20 0 BDADRP CCCCOC(=O)[C@H](C)N1CC[C@](C)(C[NH3+])C1 ZINC000843382783 588105875 /nfs/dbraw/zinc/10/58/75/588105875.db2.gz RXMLBZXPWDQPMP-WCQYABFASA-N 2 0 242.363 1.389 20 0 BDADRP CC(C)(CCC[NH3+])NC(=O)CCCCC[NH3+] ZINC000843481459 588114477 /nfs/dbraw/zinc/11/44/77/588114477.db2.gz GXFGXIBGISHHGH-UHFFFAOYSA-N 2 0 229.368 1.139 20 0 BDADRP C[C@@H](C[NH2+]C1CCCC1)CN1CC[NH+](C)CC1 ZINC000105440210 588173444 /nfs/dbraw/zinc/17/34/44/588173444.db2.gz JODJXDKPPQWENP-ZDUSSCGKSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@H]([NH3+])[C@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC000844197684 588173525 /nfs/dbraw/zinc/17/35/25/588173525.db2.gz OKECKJASLWCBKM-RYUDHWBXSA-N 2 0 241.379 1.104 20 0 BDADRP [NH3+]CC1(CC[NH2+]C[C@H]2CCCOC2)CC1 ZINC000844903850 588218876 /nfs/dbraw/zinc/21/88/76/588218876.db2.gz PIKZSARXZGCHGK-LLVKDONJSA-N 2 0 212.337 1.132 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCCCCC[NH3+])C1 ZINC000846220895 588261000 /nfs/dbraw/zinc/26/10/00/588261000.db2.gz XPTUDANFQFTLSA-NEPJUHHUSA-N 3 0 213.369 1.175 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCCCCC[NH3+])C1 ZINC000846220870 588261178 /nfs/dbraw/zinc/26/11/78/588261178.db2.gz WWOIXXHTJAPBQS-AWEZNQCLSA-N 3 0 241.423 1.779 20 0 BDADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCCCCC[NH3+] ZINC000846220502 588261293 /nfs/dbraw/zinc/26/12/93/588261293.db2.gz RLARHIFASYOUIX-NWDGAFQWSA-N 2 0 213.369 1.175 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCCCCC[NH3+] ZINC000846708850 588283685 /nfs/dbraw/zinc/28/36/85/588283685.db2.gz WJTOGKXSMYJXMM-NEPJUHHUSA-N 3 0 213.369 1.317 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCNc2ccccc2)C1 ZINC000848718594 588408429 /nfs/dbraw/zinc/40/84/29/588408429.db2.gz NRYUAXMVCVVCCH-GXTWGEPZSA-N 2 0 233.359 1.958 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)[C@@H](O)c1ccccc1 ZINC000848719696 588408451 /nfs/dbraw/zinc/40/84/51/588408451.db2.gz CTQMLTMKKZCVFL-SPWCGHHHSA-N 2 0 248.370 1.968 20 0 BDADRP C[NH+](C)C1(CNC(=[NH2+])N2CCC2)CCCC1 ZINC000848981217 588422226 /nfs/dbraw/zinc/42/22/26/588422226.db2.gz DXUQGIUPNICWJH-UHFFFAOYSA-N 2 0 224.352 1.091 20 0 BDADRP CCNC(=[NH2+])NCC1([NH+](C)C)CCCCCC1 ZINC000848982287 588424175 /nfs/dbraw/zinc/42/41/75/588424175.db2.gz ZRQMELKISHVZKR-UHFFFAOYSA-N 2 0 240.395 1.775 20 0 BDADRP CN1CCC[NH+]=C1NCCC[NH+]1CCCCC1 ZINC000848982627 588424457 /nfs/dbraw/zinc/42/44/57/588424457.db2.gz MRKJBLOCITVNHP-UHFFFAOYSA-N 2 0 238.379 1.144 20 0 BDADRP [NH2+]=C(NCCC[NH+]1CCCCC1)NC1CC1 ZINC000848982575 588424521 /nfs/dbraw/zinc/42/45/21/588424521.db2.gz CIOHEYKOYWAWSJ-UHFFFAOYSA-N 2 0 224.352 1.139 20 0 BDADRP CC(C)C[C@H](CNC(=[NH2+])N1CCC1)[NH+](C)C ZINC000848983946 588424732 /nfs/dbraw/zinc/42/47/32/588424732.db2.gz XWAVJCNCBCPYFL-LLVKDONJSA-N 2 0 226.368 1.193 20 0 BDADRP CCNC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000848984206 588424996 /nfs/dbraw/zinc/42/49/96/588424996.db2.gz YYZIHOBWQFUMRA-LLVKDONJSA-N 2 0 226.368 1.241 20 0 BDADRP C[C@@H](CNC(=[NH2+])N1CCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000848986954 588425764 /nfs/dbraw/zinc/42/57/64/588425764.db2.gz BREVXVCFWDEHMO-NEPJUHHUSA-N 2 0 238.379 1.337 20 0 BDADRP C[C@@H]1CC[N@H+](CCNC(=[NH2+])NCC2CCC2)C1 ZINC000849004215 588431523 /nfs/dbraw/zinc/43/15/23/588431523.db2.gz HXQSAAFKEMYFFB-LLVKDONJSA-N 2 0 238.379 1.242 20 0 BDADRP C[C@H]1CC[N@H+](CCNC(=[NH2+])NC2CCCC2)C1 ZINC000849004392 588431674 /nfs/dbraw/zinc/43/16/74/588431674.db2.gz OPBBWVSETMWOOO-NSHDSACASA-N 2 0 238.379 1.385 20 0 BDADRP CCC[N@H+](CC)CCNC(=[NH2+])NC1CCC1 ZINC000849004241 588431751 /nfs/dbraw/zinc/43/17/51/588431751.db2.gz CQCZFHDZVHHTAV-UHFFFAOYSA-N 2 0 226.368 1.385 20 0 BDADRP CC[NH+]1CCC(CCNC(=[NH2+])N2CCC2)CC1 ZINC000849007218 588433014 /nfs/dbraw/zinc/43/30/14/588433014.db2.gz BXGOCTIVDAVRMB-UHFFFAOYSA-N 2 0 238.379 1.338 20 0 BDADRP CCCNC(=[NH2+])NCC[N@@H+]1CCCC(C)(C)C1 ZINC000849023159 588439513 /nfs/dbraw/zinc/43/95/13/588439513.db2.gz RHUGCOWIJJHYGX-UHFFFAOYSA-N 2 0 240.395 1.632 20 0 BDADRP CCCNC(=[NH2+])NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000849023191 588439651 /nfs/dbraw/zinc/43/96/51/588439651.db2.gz WIGMHMBGEZFOCZ-GFCCVEGCSA-N 2 0 238.379 1.527 20 0 BDADRP C[C@H](CNC(=[NH2+])NCC1CCC1)C[NH+](C)C ZINC000849030793 588442746 /nfs/dbraw/zinc/44/27/46/588442746.db2.gz XEUWANPAFJGDRG-SNVBAGLBSA-N 2 0 226.368 1.098 20 0 BDADRP CCCNC(=[NH2+])NCC[C@H]1CCC[N@H+](C)C1 ZINC000849041526 588448018 /nfs/dbraw/zinc/44/80/18/588448018.db2.gz RPQPUPDBTZEYDJ-LLVKDONJSA-N 2 0 226.368 1.242 20 0 BDADRP CC(C)C[N@H+](C)CCCNC(=[NH2+])NC1CC1 ZINC000849047445 588450865 /nfs/dbraw/zinc/45/08/65/588450865.db2.gz WIPKNXPPFQCJTK-UHFFFAOYSA-N 2 0 226.368 1.241 20 0 BDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CC[C@H]1C ZINC000850499929 588552305 /nfs/dbraw/zinc/55/23/05/588552305.db2.gz ANVCUIIIDUAYCY-RDBSUJKOSA-N 2 0 241.423 1.647 20 0 BDADRP COC(CC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)OC ZINC000851985738 588651822 /nfs/dbraw/zinc/65/18/22/588651822.db2.gz PWUQZFXLDXAQPZ-GFCCVEGCSA-N 2 0 244.379 1.412 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCC12CCC2 ZINC000851990828 588653112 /nfs/dbraw/zinc/65/31/12/588653112.db2.gz XFBQWPYQXVXVFL-ZDUSSCGKSA-N 2 0 240.391 1.706 20 0 BDADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)C1CC1)C2 ZINC000852107449 588664109 /nfs/dbraw/zinc/66/41/09/588664109.db2.gz LLNVHQWJLKBRTB-KGLIPLIRSA-N 2 0 238.375 1.175 20 0 BDADRP CO[C@H](C[N@@H+]1CCC[C@@H](C[NH3+])C1)C1CCC1 ZINC000852743875 588698012 /nfs/dbraw/zinc/69/80/12/588698012.db2.gz MRJRCHCWRVDIOA-WCQYABFASA-N 2 0 226.364 1.472 20 0 BDADRP Cc1nnc([C@@H](C)[N@@H+]2CCC3(C2)CC[NH2+]CC3)[nH]1 ZINC000852746175 588698757 /nfs/dbraw/zinc/69/87/57/588698757.db2.gz FNRZUXQUISQKIT-SNVBAGLBSA-N 2 0 249.362 1.250 20 0 BDADRP C[C@]12COC[C@H]1C[N@H+](CCCCCC[NH3+])C2 ZINC000852758855 588700439 /nfs/dbraw/zinc/70/04/39/588700439.db2.gz FUOGWAWVKDTPQM-OLZOCXBDSA-N 2 0 226.364 1.474 20 0 BDADRP C([NH2+][C@H]1CC[NH2+]C12CCC2)C1CCOCC1 ZINC000863483586 589293251 /nfs/dbraw/zinc/29/32/51/589293251.db2.gz XVQHTWKYRULPIA-LBPRGKRZSA-N 2 0 224.348 1.287 20 0 BDADRP CCO[C@H](C[N@@H+]1CCC[C@H](C[NH3+])C1)C1CC1 ZINC000863539547 589296412 /nfs/dbraw/zinc/29/64/12/589296412.db2.gz DZXXVLIUFHQNGS-DGCLKSJQSA-N 2 0 226.364 1.472 20 0 BDADRP CC[C@@H]1CCN(C(=[NH2+])NCC(C)(C)[NH+](C)C)C1 ZINC000864451356 589364681 /nfs/dbraw/zinc/36/46/81/589364681.db2.gz FPIZUWKSUHCHDD-LLVKDONJSA-N 2 0 240.395 1.583 20 0 BDADRP C[C@@H]1C[C@H]1NC(=[NH2+])NCC[N@@H+]1CCCC[C@@H]1C ZINC000864451708 589365045 /nfs/dbraw/zinc/36/50/45/589365045.db2.gz DVJDWQLAWKBXGC-GRYCIOLGSA-N 2 0 238.379 1.383 20 0 BDADRP CC[C@H](CNC(=[NH2+])N[C@H]1C[C@H]1C)[NH+]1CCCC1 ZINC000864453210 589365659 /nfs/dbraw/zinc/36/56/59/589365659.db2.gz LJQBACSPIJFOPF-UTUOFQBUSA-N 2 0 238.379 1.383 20 0 BDADRP CC(C)[NH+](CCNC(=[NH2+])N[C@@H]1C[C@H]1C)C(C)C ZINC000864453097 589365679 /nfs/dbraw/zinc/36/56/79/589365679.db2.gz XBVLJCKPXHBTPB-VXGBXAGGSA-N 2 0 240.395 1.628 20 0 BDADRP CC(C)[NH+](CCNC(=[NH2+])N[C@H]1C[C@H]1C)C(C)C ZINC000864453094 589365791 /nfs/dbraw/zinc/36/57/91/589365791.db2.gz XBVLJCKPXHBTPB-NEPJUHHUSA-N 2 0 240.395 1.628 20 0 BDADRP CC[N@H+](CCNC(=[NH2+])NCCC1CC1)C1CC1 ZINC000864456223 589366857 /nfs/dbraw/zinc/36/68/57/589366857.db2.gz DXBPOZLLQIENEI-UHFFFAOYSA-N 2 0 238.379 1.385 20 0 BDADRP CCC[N@H+](CC)CCNC(=[NH2+])N[C@H]1C[C@@H]1C ZINC000864457116 589367206 /nfs/dbraw/zinc/36/72/06/589367206.db2.gz PBJLVKUSOYVWMI-QWRGUYRKSA-N 2 0 226.368 1.241 20 0 BDADRP CC[C@@H]1CCN(C(=[NH2+])NCC[N@H+](C)C(C)C)C1 ZINC000864456699 589367416 /nfs/dbraw/zinc/36/74/16/589367416.db2.gz KAVCYPVGOCEFKS-GFCCVEGCSA-N 2 0 240.395 1.583 20 0 BDADRP C[NH+](C)C1(CNC(=[NH2+])NCCC2CC2)CCC1 ZINC000864462914 589369630 /nfs/dbraw/zinc/36/96/30/589369630.db2.gz APVWUNUOWJUKAV-UHFFFAOYSA-N 2 0 238.379 1.385 20 0 BDADRP CC[C@@H]1CCN(C(=[NH2+])NC[C@H](C)C[NH+](C)C)C1 ZINC000864465830 589370941 /nfs/dbraw/zinc/37/09/41/589370941.db2.gz BYUIFMLIYSVMHC-NWDGAFQWSA-N 2 0 240.395 1.440 20 0 BDADRP CCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1C ZINC000864468181 589372301 /nfs/dbraw/zinc/37/23/01/589372301.db2.gz GOWLVNFYNZUXDC-GRYCIOLGSA-N 2 0 238.379 1.383 20 0 BDADRP CC1(C)CCNCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000866696932 589512540 /nfs/dbraw/zinc/51/25/40/589512540.db2.gz CUPMEGVMJLYLAY-LBPRGKRZSA-N 2 0 225.380 1.060 20 0 BDADRP C[NH2+]CCCN1c2ccccc2[C@H]([NH3+])C1(C)C ZINC000866702265 589513570 /nfs/dbraw/zinc/51/35/70/589513570.db2.gz ZFGJPAHJFLCNGS-ZDUSSCGKSA-N 2 0 233.359 1.895 20 0 BDADRP CC1(C)[C@H]([NH3+])c2ccccc2N1CC[NH3+] ZINC000866702081 589513961 /nfs/dbraw/zinc/51/39/61/589513961.db2.gz UMRMRNRUOWIUNT-LLVKDONJSA-N 2 0 205.305 1.244 20 0 BDADRP CC(C)(C)[C@]1(C[NH3+])CCN(CCC[NH3+])C1 ZINC000866706773 589514843 /nfs/dbraw/zinc/51/48/43/589514843.db2.gz KFERNEJFLRGGJU-LBPRGKRZSA-N 2 0 213.369 1.032 20 0 BDADRP C[NH2+]CC(=O)N1c2ccccc2[C@@H]([NH3+])C1(C)C ZINC000867991376 589542579 /nfs/dbraw/zinc/54/25/79/589542579.db2.gz NZUVIDWATOVXCM-GFCCVEGCSA-N 2 0 233.315 1.031 20 0 BDADRP CC1(C)[C@H](c2nc(C3([NH3+])CCC3)no2)C[C@@H]1[NH3+] ZINC000871786408 589818001 /nfs/dbraw/zinc/81/80/01/589818001.db2.gz AWDJBVHKJSCKSS-YUMQZZPRSA-N 2 0 236.319 1.248 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2C[C@H](O)C2)[C@H]2CCC[C@@H]21 ZINC000872127267 589876772 /nfs/dbraw/zinc/87/67/72/589876772.db2.gz RXUAAMCHMLWNBN-POQQGIQPSA-N 2 0 238.375 1.220 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CC3(CCC3)CO2)CC[C@H]1[NH3+] ZINC000872141321 589881621 /nfs/dbraw/zinc/88/16/21/589881621.db2.gz FGNXFJAEWQQCEX-FRRDWIJNSA-N 2 0 238.375 1.615 20 0 BDADRP C[N@H+](CCC[NH3+])C[C@H]1CC2(CCC2)CO1 ZINC000872141457 589882087 /nfs/dbraw/zinc/88/20/87/589882087.db2.gz HAMFNVZPXGDRGP-LLVKDONJSA-N 2 0 212.337 1.226 20 0 BDADRP C[N@H+](C[C@@H]1CC2(CCC2)CO1)CC(C)(C)C[NH3+] ZINC000872141848 589882097 /nfs/dbraw/zinc/88/20/97/589882097.db2.gz WEHOGRGZIQXQII-LBPRGKRZSA-N 2 0 240.391 1.862 20 0 BDADRP C[N@H+](C[C@@H]1CC2(CCC2)CO1)C1CC[NH2+]CC1 ZINC000872142286 589882247 /nfs/dbraw/zinc/88/22/47/589882247.db2.gz ROBBQMQUEINPQO-ZDUSSCGKSA-N 2 0 238.375 1.629 20 0 BDADRP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000872141919 589882347 /nfs/dbraw/zinc/88/23/47/589882347.db2.gz ZPVNPLUIBVPUPA-FQUUOJAGSA-N 2 0 240.391 1.907 20 0 BDADRP CN1CCC[C@@H]([N@H+](C)CCCCCC[NH3+])C1=O ZINC000872155161 589886056 /nfs/dbraw/zinc/88/60/56/589886056.db2.gz FFDABXSYODXXPX-GFCCVEGCSA-N 2 0 241.379 1.058 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CCOC2)C1 ZINC000872252580 589900621 /nfs/dbraw/zinc/90/06/21/589900621.db2.gz ULYAYLQYVCPQIU-WDEREUQCSA-N 2 0 212.337 1.143 20 0 BDADRP COC[C@H](C)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000872254221 589901076 /nfs/dbraw/zinc/90/10/76/589901076.db2.gz WTYTWINQIIUHQR-QWRGUYRKSA-N 2 0 214.353 1.389 20 0 BDADRP CC[NH2+]CCCNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872255902 589901023 /nfs/dbraw/zinc/90/10/23/589901023.db2.gz HWRBWDIKINXGAX-NEPJUHHUSA-N 2 0 241.379 1.010 20 0 BDADRP CC(C)[C@@H](C[NH3+])CN1CC[C@]2(CCC[NH2+]2)C1 ZINC000873213501 589997361 /nfs/dbraw/zinc/99/73/61/589997361.db2.gz FXKNMRTUMHVHDF-QWHCGFSZSA-N 2 0 225.380 1.045 20 0 BDADRP [NH3+][C@@H]1C[C@H]1c1ccc(NC[C@@]23C[C@@H]2C[NH2+]C3)cc1 ZINC000873215706 589998319 /nfs/dbraw/zinc/99/83/19/589998319.db2.gz MDCRVXPRANULID-BEAPCOKYSA-N 2 0 243.354 1.523 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873220361 589998557 /nfs/dbraw/zinc/99/85/57/589998557.db2.gz LHNUADRYMGTCCQ-YPMHNXCESA-N 3 0 227.396 1.338 20 0 BDADRP C[N@@H+]1CC[C@@H]2CN(Cc3ccc(N)nc3)CC[C@@H]21 ZINC000873222045 590000090 /nfs/dbraw/zinc/00/00/90/590000090.db2.gz XZYPOYGYTXUWGE-OLZOCXBDSA-N 2 0 246.358 1.190 20 0 BDADRP CC(C)([NH3+])CN1CC[C@@H]2CSC[C@H]2C1 ZINC000873221702 590000152 /nfs/dbraw/zinc/00/01/52/590000152.db2.gz NYDPGRZZRPDFFW-NXEZZACHSA-N 2 0 214.378 1.409 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CCC(C)(C)CN1 ZINC000873237892 590004590 /nfs/dbraw/zinc/00/45/90/590004590.db2.gz VGFLRORFNOOAOK-STQMWFEESA-N 2 0 241.423 1.872 20 0 BDADRP CC1(C)CC[C@H](CN[C@H]2CCC[C@H]2C[NH3+])[NH2+]C1 ZINC000873234445 590004775 /nfs/dbraw/zinc/00/47/75/590004775.db2.gz FEGALQJHUWAKPN-XQQFMLRXSA-N 2 0 239.407 1.482 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000873238657 590005187 /nfs/dbraw/zinc/00/51/87/590005187.db2.gz DOLWXEHWUBXDSY-WFQJECDVSA-N 2 0 238.375 1.517 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000873239107 590005819 /nfs/dbraw/zinc/00/58/19/590005819.db2.gz OAJFOXFOEJKBGA-CLSQCYNNSA-N 2 0 236.359 1.127 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccccn1 ZINC000873253024 590005944 /nfs/dbraw/zinc/00/59/44/590005944.db2.gz XSTQKPKZNAZNNQ-GARJFASQSA-N 2 0 205.305 1.470 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)C1CC[NH+](C)CC1 ZINC000873254427 590006240 /nfs/dbraw/zinc/00/62/40/590006240.db2.gz SWFLXIJJPPVDLT-GMXVVIOVSA-N 3 0 225.380 1.044 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccnc(F)c1 ZINC000873241590 590006633 /nfs/dbraw/zinc/00/66/33/590006633.db2.gz HHSUYZGTNKGPFN-RKDXNWHRSA-N 2 0 211.284 1.436 20 0 BDADRP COc1ccc(C[C@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cn1 ZINC000873248541 590007509 /nfs/dbraw/zinc/00/75/09/590007509.db2.gz BVFYUZWIPPBPEC-WCFLWFBJSA-N 2 0 249.358 1.348 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CCC12CCOCC2 ZINC000873250446 590007956 /nfs/dbraw/zinc/00/79/56/590007956.db2.gz RFZBIQIYBAHWSX-AVGNSLFASA-N 2 0 240.391 1.909 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CCCC23CCOCC3)C1 ZINC000873251911 590009115 /nfs/dbraw/zinc/00/91/15/590009115.db2.gz YGNXZUDBXCLEQB-XQQFMLRXSA-N 2 0 238.375 1.663 20 0 BDADRP COCCC[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873254481 590010180 /nfs/dbraw/zinc/01/01/80/590010180.db2.gz UQPNOOAPQHLDRV-MXWKQRLJSA-N 2 0 200.326 1.128 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1nccn1C ZINC000873256004 590010714 /nfs/dbraw/zinc/01/07/14/590010714.db2.gz LFNOQPXQIJTXDV-DCAQKATOSA-N 2 0 222.336 1.198 20 0 BDADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000873256257 590011084 /nfs/dbraw/zinc/01/10/84/590011084.db2.gz NEVDETIFTZAXLQ-TXFQPVFDSA-N 3 0 231.343 1.458 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)C1CCSCC1 ZINC000873258874 590012762 /nfs/dbraw/zinc/01/27/62/590012762.db2.gz WPHFUBJGJHCNLQ-CKYFFXLPSA-N 2 0 228.405 1.845 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)CCO1 ZINC000873258872 590012878 /nfs/dbraw/zinc/01/28/78/590012878.db2.gz WOPQPZVQIGZETH-LPWJVIDDSA-N 2 0 226.364 1.517 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ncc[nH]1 ZINC000873260888 590013820 /nfs/dbraw/zinc/01/38/20/590013820.db2.gz JMALORZUSYXGJZ-WISYIIOYSA-N 2 0 234.347 1.591 20 0 BDADRP C[C@@H]1CCNC[C@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873261674 590014428 /nfs/dbraw/zinc/01/44/28/590014428.db2.gz QBXIYMFCFOCSGF-RKQHYHRCSA-N 2 0 237.391 1.105 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCO1 ZINC000873265159 590014708 /nfs/dbraw/zinc/01/47/08/590014708.db2.gz UQHXMVCSYHUDCQ-RKQHYHRCSA-N 2 0 238.375 1.674 20 0 BDADRP CO[C@@H](C)[C@H](C)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873265757 590014731 /nfs/dbraw/zinc/01/47/31/590014731.db2.gz XNMVBVRIXYDHEF-NWBUJAPZSA-N 2 0 226.364 1.530 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+][C@H](C)C2CC[NH2+]CC2)C1 ZINC000873269240 590015325 /nfs/dbraw/zinc/01/53/25/590015325.db2.gz OBJNQRZXTTYCFX-BNOWGMLFSA-N 2 0 240.391 1.922 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+][C@H](C)C2CC[NH2+]CC2)C1 ZINC000873269241 590015676 /nfs/dbraw/zinc/01/56/76/590015676.db2.gz OBJNQRZXTTYCFX-KWCYVHTRSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCc2n[nH]cc21)C1CC[NH2+]CC1 ZINC000873271832 590015958 /nfs/dbraw/zinc/01/59/58/590015958.db2.gz MHBDDXCAKABJDP-GXFFZTMASA-N 2 0 248.374 1.765 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])C1CC[NH2+]CC1 ZINC000873270663 590015921 /nfs/dbraw/zinc/01/59/21/590015921.db2.gz ZKJLJVBTGUFEMZ-NWDGAFQWSA-N 3 0 227.396 1.482 20 0 BDADRP C[C@@H]([NH2+]CCC[C@H]1C=CCC1)C1C[NH2+]C1 ZINC000873281150 590018565 /nfs/dbraw/zinc/01/85/65/590018565.db2.gz GFXWQJVSFNLQCU-NEPJUHHUSA-N 2 0 208.349 1.930 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000873281203 590018728 /nfs/dbraw/zinc/01/87/28/590018728.db2.gz HBNJYUIGONKYPF-QMVSFRDZSA-N 2 0 238.375 1.661 20 0 BDADRP Nc1cc(F)cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000873290108 590023405 /nfs/dbraw/zinc/02/34/05/590023405.db2.gz OCGAIZVAZZFWEP-WCQYABFASA-N 2 0 237.322 1.767 20 0 BDADRP CC(C)[C@H](C)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291217 590023578 /nfs/dbraw/zinc/02/35/78/590023578.db2.gz VUYXUMPNJDBDKU-QWHCGFSZSA-N 2 0 240.391 1.779 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@H]1C[C@H](O)C1 ZINC000873297272 590024843 /nfs/dbraw/zinc/02/48/43/590024843.db2.gz VJULRCDBVWYOSG-KKOKHZNYSA-N 2 0 212.337 1.007 20 0 BDADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H]1C[C@H](O)C1 ZINC000873297305 590025161 /nfs/dbraw/zinc/02/51/61/590025161.db2.gz VYBJOPOJFOHHOG-NGFQHRJXSA-N 2 0 248.370 1.305 20 0 BDADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H]1C[C@H](O)C1 ZINC000873297277 590025401 /nfs/dbraw/zinc/02/54/01/590025401.db2.gz VNRIMTPNQFWOBJ-GAFUQQFSSA-N 2 0 249.358 1.270 20 0 BDADRP CC(C)[NH+](CCNC1CC[NH+](C)CC1)C(C)C ZINC000019900945 590039495 /nfs/dbraw/zinc/03/94/95/590039495.db2.gz JPGAJJXTUVPIQV-UHFFFAOYSA-N 2 0 241.423 1.789 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CNC1CC[NH+](C)CC1 ZINC000019959649 590055832 /nfs/dbraw/zinc/05/58/32/590055832.db2.gz TZVQHGIYHKBLAT-CYBMUJFWSA-N 2 0 225.380 1.155 20 0 BDADRP CC[NH2+][C@H](C)C(=O)N1CCC[C@H]1c1ncc[nH]1 ZINC000876903750 590255609 /nfs/dbraw/zinc/25/56/09/590255609.db2.gz PDPMZQMIPXPMNC-ZJUUUORDSA-N 2 0 236.319 1.071 20 0 BDADRP [NH3+]CCCCCCNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000876938005 590259006 /nfs/dbraw/zinc/25/90/06/590259006.db2.gz MEJOAWFGCSVQST-TXEJJXNPSA-N 2 0 241.379 1.139 20 0 BDADRP [NH3+]CCCCC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877136982 590291025 /nfs/dbraw/zinc/29/10/25/590291025.db2.gz NZCRFBJOELDMDY-QWHCGFSZSA-N 2 0 247.342 1.569 20 0 BDADRP C[C@H]([NH3+])CCC(=O)N(C)CCCCCC[NH3+] ZINC000877437900 590327805 /nfs/dbraw/zinc/32/78/05/590327805.db2.gz BCFDNDJVOJJMBT-NSHDSACASA-N 2 0 229.368 1.091 20 0 BDADRP CC(C)[N@H+](C)CC(=O)N(C)CCCCCC[NH3+] ZINC000877439258 590328442 /nfs/dbraw/zinc/32/84/42/590328442.db2.gz AIURYPCVOZCTMY-UHFFFAOYSA-N 2 0 243.395 1.304 20 0 BDADRP CN(CCCCCC[NH3+])C(=O)C1([NH3+])CCCC1 ZINC000877443896 590328974 /nfs/dbraw/zinc/32/89/74/590328974.db2.gz HPYLUAKHTHVQCN-UHFFFAOYSA-N 2 0 241.379 1.235 20 0 BDADRP C[C@H]1C[C@H]1C[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000877665405 590388339 /nfs/dbraw/zinc/38/83/39/590388339.db2.gz UNYYGVHGJHWRFC-SRVKXCTJSA-N 2 0 226.364 1.077 20 0 BDADRP C[N@@H+]1CC[C@H]2C[NH+](CCC(C)(C)O)CC[C@H]21 ZINC000879573993 590814205 /nfs/dbraw/zinc/81/42/05/590814205.db2.gz VJZRZARIKPKRBS-NWDGAFQWSA-N 2 0 226.364 1.173 20 0 BDADRP CC(C)C[N@H+](CCO)CC1CC[NH+](C)CC1 ZINC000879704020 590852216 /nfs/dbraw/zinc/85/22/16/590852216.db2.gz IKFJWGHBWDVENQ-UHFFFAOYSA-N 2 0 228.380 1.279 20 0 BDADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2Cc1cccnc1 ZINC000880131856 590933330 /nfs/dbraw/zinc/93/33/30/590933330.db2.gz KASMABALDIFZNC-UONOGXRCSA-N 2 0 231.343 1.750 20 0 BDADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2Cc1cccnc1 ZINC000880131857 590934913 /nfs/dbraw/zinc/93/49/13/590934913.db2.gz KASMABALDIFZNC-ZIAGYGMSSA-N 2 0 231.343 1.750 20 0 BDADRP C[C@H]1C[N@H+](CCCCO)CCN1c1cc[nH+]cc1 ZINC000880262963 590979741 /nfs/dbraw/zinc/97/97/41/590979741.db2.gz UOAOFDFPZNSVMG-ZDUSSCGKSA-N 2 0 249.358 1.365 20 0 BDADRP c1ccc2c(c1)C[C@H](C[NH2+][C@H]1CCC[NH2+]CC1)O2 ZINC000129157779 591260328 /nfs/dbraw/zinc/26/03/28/591260328.db2.gz QJCTYBRECIJYAD-UONOGXRCSA-N 2 0 246.354 1.722 20 0 BDADRP C[N@H+](CCN[C@H]1CCC[NH2+]CC1)C1CCCC1 ZINC000129250972 591273349 /nfs/dbraw/zinc/27/33/49/591273349.db2.gz JYMUPEZZQLCDEA-ZDUSSCGKSA-N 2 0 239.407 1.593 20 0 BDADRP Cc1cc(N[C@@H]2CCC[NH2+][C@H]2C)cc[nH+]1 ZINC000129504338 591314119 /nfs/dbraw/zinc/31/41/19/591314119.db2.gz OKRNYRBPUIOUAN-CMPLNLGQSA-N 2 0 205.305 1.942 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C[C@H](O)c2ccccc2)CC[N@@H+]1C ZINC000129611595 591339859 /nfs/dbraw/zinc/33/98/59/591339859.db2.gz MMILFXRAWYPNRF-QEJZJMRPSA-N 2 0 248.370 1.792 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](COC)C2)[C@H](C)C1 ZINC000883321107 591615596 /nfs/dbraw/zinc/61/55/96/591615596.db2.gz LNTMBCDWYOQIQA-MQYQWHSLSA-N 2 0 240.391 1.731 20 0 BDADRP CCN1CC[C@H]1C[NH2+][C@H](C)CCCCO ZINC000883354692 591624757 /nfs/dbraw/zinc/62/47/57/591624757.db2.gz AQFCQBCSJBVUHC-NEPJUHHUSA-N 2 0 214.353 1.221 20 0 BDADRP CCN1CC[C@H]1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000883356628 591627099 /nfs/dbraw/zinc/62/70/99/591627099.db2.gz RMFAEZICWSHSMY-STQMWFEESA-N 2 0 239.407 1.543 20 0 BDADRP C[C@@H]1C[C@@H](N(C)C[C@@H]2C[C@H](F)C[NH2+]2)CC[N@@H+]1C ZINC000883424544 591658705 /nfs/dbraw/zinc/65/87/05/591658705.db2.gz WHICXNDDBJOJEA-VOAKCMCISA-N 2 0 243.370 1.101 20 0 BDADRP C[N@H+](CC[C@H]1CCCC1(F)F)C[C@H](O)C[NH3+] ZINC000883430105 591661883 /nfs/dbraw/zinc/66/18/83/591661883.db2.gz NHOZWILPWWWEAR-NXEZZACHSA-N 2 0 236.306 1.063 20 0 BDADRP C=C/C=C/CC[NH+]1CCC([NH2+]CCOC)CC1 ZINC000883434506 591664182 /nfs/dbraw/zinc/66/41/82/591664182.db2.gz TZENNFAZSORRDO-SNAWJCMRSA-N 2 0 238.375 1.819 20 0 BDADRP C=C/C=C\CCN1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000883434273 591664853 /nfs/dbraw/zinc/66/48/53/591664853.db2.gz LWQLTPLMVZJDHF-OQOSRZTISA-N 2 0 246.358 1.279 20 0 BDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCCCCC[NH3+] ZINC000883442570 591668696 /nfs/dbraw/zinc/66/86/96/591668696.db2.gz OLBJMQSJUJFJEV-QWRGUYRKSA-N 3 0 213.369 1.221 20 0 BDADRP C(C[N@@H+]1CC[NH2+]CCC12CCC2)[C@@H]1CC[NH2+]C1 ZINC000883459070 591674354 /nfs/dbraw/zinc/67/43/54/591674354.db2.gz ITUIARHHTGAVFI-ZDUSSCGKSA-N 3 0 237.391 1.204 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@H](CC(C)C)[NH2+]C ZINC000884042716 591824358 /nfs/dbraw/zinc/82/43/58/591824358.db2.gz GSTZBALHOPJMTN-NEPJUHHUSA-N 2 0 243.395 1.254 20 0 BDADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@H](C)CC[NH+](C)C ZINC000884202427 591872687 /nfs/dbraw/zinc/87/26/87/591872687.db2.gz YNTTULZXQILGOH-NEPJUHHUSA-N 2 0 243.395 1.077 20 0 BDADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N[C@H](C)CCC[NH3+] ZINC000884296073 591897324 /nfs/dbraw/zinc/89/73/24/591897324.db2.gz NXZQLRJETHNSLC-GHMZBOCLSA-N 2 0 243.395 1.240 20 0 BDADRP CC(C)(C)[NH2+]CC(O)C[NH2+]C(C)(C)C ZINC000002168030 592149549 /nfs/dbraw/zinc/14/95/49/592149549.db2.gz ICBMTPLNKKNYEX-UHFFFAOYSA-N 2 0 202.342 1.124 20 0 BDADRP CC1([NH+]2CCCC2)CCC([NH2+]CCO)CC1 ZINC000886491783 592236516 /nfs/dbraw/zinc/23/65/16/592236516.db2.gz RLFIWSLBBGSPLR-UHFFFAOYSA-N 2 0 226.364 1.365 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H]2C[C@]23CCOC3)CC[C@@H]1[NH3+] ZINC000886837320 592358055 /nfs/dbraw/zinc/35/80/55/592358055.db2.gz FCYAUPCVXIOWLR-RFGFWPKPSA-N 2 0 238.375 1.472 20 0 BDADRP C([C@H]1CCOC1)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886870009 592375753 /nfs/dbraw/zinc/37/57/53/592375753.db2.gz NFGOVWMITRKCJY-ZIAGYGMSSA-N 2 0 238.375 1.489 20 0 BDADRP CC[NH+]1CCC(CNC(=[NH2+])NCC2CC2)CC1 ZINC000887351041 592485451 /nfs/dbraw/zinc/48/54/51/592485451.db2.gz DNBGFKGAEJMFOQ-UHFFFAOYSA-N 2 0 238.379 1.242 20 0 BDADRP C[C@@H]1CCC[N@H+](CCNC(=[NH2+])NCC(F)F)C1 ZINC000887348835 592485461 /nfs/dbraw/zinc/48/54/61/592485461.db2.gz YZQRHMGZZIQJIV-SECBINFHSA-N 2 0 248.321 1.097 20 0 BDADRP CC[NH+]1CCC(CNC(=[NH2+])NCC(F)F)CC1 ZINC000887351485 592486034 /nfs/dbraw/zinc/48/60/34/592486034.db2.gz QPZMDWOOMOQKIA-UHFFFAOYSA-N 2 0 248.321 1.097 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](CNC(=[NH2+])NCC2CC2)C1 ZINC000887351471 592486466 /nfs/dbraw/zinc/48/64/66/592486466.db2.gz QBZPBMRIGYQZHC-LBPRGKRZSA-N 2 0 238.379 1.241 20 0 BDADRP COC(C)(C)CC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000300047803 592501747 /nfs/dbraw/zinc/50/17/47/592501747.db2.gz SGEALWIVQDCTEL-VXGBXAGGSA-N 2 0 228.380 1.874 20 0 BDADRP CC(C)C[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300239267 592505232 /nfs/dbraw/zinc/50/52/32/592505232.db2.gz RSUHEZZYLHZUQD-IHRRRGAJSA-N 2 0 240.391 1.610 20 0 BDADRP CS[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC000300386904 592509853 /nfs/dbraw/zinc/50/98/53/592509853.db2.gz MALQGEAISUPWEJ-YFKTTZPYSA-N 2 0 228.405 1.988 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000925703375 634379667 /nfs/dbraw/zinc/37/96/67/634379667.db2.gz DKCSTZNLFALUBQ-LPWJVIDDSA-N 3 0 237.391 1.105 20 0 BDADRP [NH3+]CC1(CC[NH2+][C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925704620 634384621 /nfs/dbraw/zinc/38/46/21/634384621.db2.gz ZCLKFUVAWZDMTR-LBPRGKRZSA-N 3 0 237.391 1.380 20 0 BDADRP CC[C@H](C)[NH2+]CCCOCCOCCC[NH3+] ZINC001257430519 985001135 /nfs/dbraw/zinc/00/11/35/985001135.db2.gz VAGMSSWHQXTKBH-LBPRGKRZSA-N 2 0 232.368 1.147 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ncc[nH]1 ZINC000925705970 634388379 /nfs/dbraw/zinc/38/83/79/634388379.db2.gz JNVLOVIFQIEKLN-VHSXEESVSA-N 2 0 220.320 1.202 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C12CCC2 ZINC000925706593 634391386 /nfs/dbraw/zinc/39/13/86/634391386.db2.gz MZYBUABYGGXULN-QNSTZXKLSA-N 3 0 249.402 1.234 20 0 BDADRP C[C@@H](N)[C@H]([NH2+][C@H](C)CCC[NH3+])c1ccccc1 ZINC000925710594 634408237 /nfs/dbraw/zinc/40/82/37/634408237.db2.gz QHLULAHMINSWSZ-BZPMIXESSA-N 2 0 235.375 1.792 20 0 BDADRP C[C@H](C[NH2+][C@@H]1COCC1(C)C)C[NH+](C)C ZINC000312991151 634425131 /nfs/dbraw/zinc/42/51/31/634425131.db2.gz CRDTTXWVFQHORN-GHMZBOCLSA-N 2 0 214.353 1.199 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H](NCC23CC(C2)C[NH2+]3)C1 ZINC000925715586 634440990 /nfs/dbraw/zinc/44/09/90/634440990.db2.gz JZAVBNOSEDQTDD-CBKZZEEASA-N 2 0 237.391 1.234 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CC[C@@H]2CCCOC2)C12CCC2 ZINC000925720088 634457767 /nfs/dbraw/zinc/45/77/67/634457767.db2.gz FMHFIBYKUGHMAJ-XQQFMLRXSA-N 2 0 238.375 1.663 20 0 BDADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)C1 ZINC000925726759 634523448 /nfs/dbraw/zinc/52/34/48/634523448.db2.gz LNGATNBCLPEERS-HTVCTNPSSA-N 2 0 238.375 1.519 20 0 BDADRP CCC[C@H](C)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925847598 635524387 /nfs/dbraw/zinc/52/43/87/635524387.db2.gz ZGXKAPORFWMXDN-AWEZNQCLSA-N 2 0 241.423 1.840 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000925858147 635550331 /nfs/dbraw/zinc/55/03/31/635550331.db2.gz OAEJBALZOAGRDB-SRVKXCTJSA-N 2 0 214.353 1.397 20 0 BDADRP Cn1nc(C2CC2)cc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000925873644 635593142 /nfs/dbraw/zinc/59/31/42/635593142.db2.gz LOOHKFRGIBOHNH-RYUDHWBXSA-N 2 0 248.374 1.657 20 0 BDADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCCCCCO ZINC000236161712 635596532 /nfs/dbraw/zinc/59/65/32/635596532.db2.gz DAZRJFCBOJAKLA-ZDUSSCGKSA-N 2 0 228.380 1.742 20 0 BDADRP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000925882241 635610952 /nfs/dbraw/zinc/61/09/52/635610952.db2.gz JPXLFXIBOOCRHN-RFGFWPKPSA-N 2 0 240.391 1.907 20 0 BDADRP CO[C@H]1C[C@H]([NH2+]CCCC[NH+](C)C)C12CCC2 ZINC000308364953 631305922 /nfs/dbraw/zinc/30/59/22/631305922.db2.gz KDSFFIWEHRIOKE-STQMWFEESA-N 2 0 240.391 1.875 20 0 BDADRP C[NH+](C)CCOCC[NH2+][C@@H](C1CC1)C(C)(C)C ZINC000926254256 631512689 /nfs/dbraw/zinc/51/26/89/631512689.db2.gz KXBZIKOHNIGMOZ-ZDUSSCGKSA-N 2 0 242.407 1.979 20 0 BDADRP C[N@@H+](C[C@H]1CCC=CO1)C[C@H]1CCC[NH+](C)C1 ZINC000249036375 635686210 /nfs/dbraw/zinc/68/62/10/635686210.db2.gz STIUSWUQRMWNKH-UONOGXRCSA-N 2 0 238.375 1.953 20 0 BDADRP CO[C@@H]1CC[C@@H]1[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000934124115 631702859 /nfs/dbraw/zinc/70/28/59/631702859.db2.gz NFULXJBNGKAMMS-HZSPNIEDSA-N 2 0 240.391 1.970 20 0 BDADRP C[C@@H](O)C1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000235295837 632017328 /nfs/dbraw/zinc/01/73/28/632017328.db2.gz PQORWYLBYGWWOV-OLZOCXBDSA-N 2 0 240.391 1.469 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](C[C@@H]2CCSC2)C1 ZINC000224610265 632061531 /nfs/dbraw/zinc/06/15/31/632061531.db2.gz OYCTVCKCAJTAPU-ZJUUUORDSA-N 2 0 200.351 1.020 20 0 BDADRP CC[N@@H+]1CC[C@H](CN[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000250222958 632539134 /nfs/dbraw/zinc/53/91/34/632539134.db2.gz DZVFFIFHZLQMPS-UPJWGTAASA-N 2 0 225.380 1.045 20 0 BDADRP c1ccc(C[N@@H+]2CC[C@@H](N[C@H]3CC[NH2+]C3)C2)cc1 ZINC000250644002 632542778 /nfs/dbraw/zinc/54/27/78/632542778.db2.gz IDHKQPPDNXBEFW-LSDHHAIUSA-N 2 0 245.370 1.212 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)C[C@H]1CCCCO1 ZINC000235262262 632591353 /nfs/dbraw/zinc/59/13/53/632591353.db2.gz ZPRGNQMRWBVGOC-FRRDWIJNSA-N 2 0 226.364 1.343 20 0 BDADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CC[C@@H]1C ZINC000309945300 632685921 /nfs/dbraw/zinc/68/59/21/632685921.db2.gz DDJPDRQSZOZHIC-STQMWFEESA-N 2 0 228.380 1.733 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000310310797 632718388 /nfs/dbraw/zinc/71/83/88/632718388.db2.gz WMEOQIKXHRHKPD-MGPQQGTHSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H](C)CC1 ZINC000235658951 632808809 /nfs/dbraw/zinc/80/88/09/632808809.db2.gz WXOZIUQETQKEPM-XQQFMLRXSA-N 2 0 210.365 1.964 20 0 BDADRP C=CCNC(=[NH2+])NC[C@@H](C(CC)CC)[NH+](C)C ZINC000066245160 632860887 /nfs/dbraw/zinc/86/08/87/632860887.db2.gz MZISMJWLSNOJEU-LBPRGKRZSA-N 2 0 240.395 1.443 20 0 BDADRP CCNC(NCC[N@@H+]1CCCC[C@@H]1C)=[NH+]CC ZINC000066243422 632861657 /nfs/dbraw/zinc/86/16/57/632861657.db2.gz VTYXDWTWAPZZPT-LBPRGKRZSA-N 2 0 240.395 1.436 20 0 BDADRP C[NH+](C)[C@H]1CCCN(c2cc[nH+]cc2CO)C1 ZINC000126528128 635849658 /nfs/dbraw/zinc/84/96/58/635849658.db2.gz QTEQHSLUWISYHM-LBPRGKRZSA-N 2 0 235.331 1.104 20 0 BDADRP [NH3+]CC[C@H]1CCC[N@H+](CCCCCCO)C1 ZINC000236257808 632904888 /nfs/dbraw/zinc/90/48/88/632904888.db2.gz WVTGOFXJHGQRSH-CYBMUJFWSA-N 2 0 228.380 1.600 20 0 BDADRP C[C@H]1C[C@H]1C[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000167536244 633131288 /nfs/dbraw/zinc/13/12/88/633131288.db2.gz RWGVUDQHJUWRHB-FZMZJTMJSA-N 2 0 218.344 1.933 20 0 BDADRP CC[NH+]1CCC(CNc2cc(C)[nH+]c(N)n2)CC1 ZINC000049056008 636006507 /nfs/dbraw/zinc/00/65/07/636006507.db2.gz ZDDZBNJQBVKSGN-UHFFFAOYSA-N 2 0 249.362 1.511 20 0 BDADRP C[C@H](CCN[C@H]1CC[N@H+](C)C(C)(C)C1)[NH+](C)C ZINC000895290944 636131564 /nfs/dbraw/zinc/13/15/64/636131564.db2.gz WSCVSFCROKGOEA-OLZOCXBDSA-N 2 0 241.423 1.789 20 0 BDADRP C[C@H](CCN[C@@H]1CC[N@H+](C)C(C)(C)C1)[NH+](C)C ZINC000895290943 636131778 /nfs/dbraw/zinc/13/17/78/636131778.db2.gz WSCVSFCROKGOEA-CHWSQXEVSA-N 2 0 241.423 1.789 20 0 BDADRP C[NH+](C)CCCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000122441226 633753604 /nfs/dbraw/zinc/75/36/04/633753604.db2.gz MJKDCSTWDFCGOC-UHFFFAOYSA-N 2 0 239.367 1.118 20 0 BDADRP CC1(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CCC1 ZINC000328558249 633775120 /nfs/dbraw/zinc/77/51/20/633775120.db2.gz CJXBUEWRIDRQMH-OBPIAQAESA-N 2 0 220.360 1.763 20 0 BDADRP C(C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)CC1CC1 ZINC000328559072 633775433 /nfs/dbraw/zinc/77/54/33/633775433.db2.gz DGDNUEHUUTYVDI-MEBFFEOJSA-N 2 0 220.360 1.763 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@@H]1CC[NH2+]C1(C)C ZINC000925509920 633848940 /nfs/dbraw/zinc/84/89/40/633848940.db2.gz PVMWKUDOETYUTQ-VXGBXAGGSA-N 2 0 225.380 1.201 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H]2CC[C@H](O)CC2)CC1 ZINC000103520556 633917567 /nfs/dbraw/zinc/91/75/67/633917567.db2.gz IOJCZYQFRHHJQA-XBXGTLAGSA-N 2 0 240.391 1.754 20 0 BDADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CC[C@@H]1C ZINC000309945015 633967778 /nfs/dbraw/zinc/96/77/78/633967778.db2.gz DAKISTURPQKUNL-XQQFMLRXSA-N 2 0 228.380 1.731 20 0 BDADRP Cc1c[nH+]ccc1NCc1cc(N(C)C)cc[nH+]1 ZINC000895470758 636148979 /nfs/dbraw/zinc/14/89/79/636148979.db2.gz COLNUOOFXUPFTR-UHFFFAOYSA-N 2 0 242.326 1.885 20 0 BDADRP Cn1cc(CCC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)cn1 ZINC000925576895 634078982 /nfs/dbraw/zinc/07/89/82/634078982.db2.gz LCAGMZZWGBFZBB-CHWSQXEVSA-N 2 0 248.374 1.212 20 0 BDADRP CC(C)[C@](C)(O)C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925611106 634149973 /nfs/dbraw/zinc/14/99/73/634149973.db2.gz KGFAEQUROXGYGP-OUCADQQQSA-N 2 0 242.407 1.889 20 0 BDADRP C[C@@H](CO)[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925617509 634167588 /nfs/dbraw/zinc/16/75/88/634167588.db2.gz WKSFKORJLZYFLY-DRZSPHRISA-N 2 0 226.364 1.125 20 0 BDADRP CCON1CCC([NH2+]C[C@H](C)C[NH+](C)C)CC1 ZINC000323434961 634172094 /nfs/dbraw/zinc/17/20/94/634172094.db2.gz BMFBVZDQJPVQKM-LBPRGKRZSA-N 2 0 243.395 1.190 20 0 BDADRP C/C=C/C[C@H](CO)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925642174 634189821 /nfs/dbraw/zinc/18/98/21/634189821.db2.gz ROGXIURUVWFVEK-AOIOQCJFSA-N 2 0 224.348 1.173 20 0 BDADRP CCC[N@@H+]1CCC[C@H]1CN[C@H]1CCC[NH2+][C@@H]1C ZINC000925670392 634252470 /nfs/dbraw/zinc/25/24/70/634252470.db2.gz JMPUAHGTPHFHAB-RDBSUJKOSA-N 2 0 239.407 1.591 20 0 BDADRP CCC[N@H+](CC)C[C@@H](C)N[C@H]1CCC[NH2+][C@H]1C ZINC000925676492 634264541 /nfs/dbraw/zinc/26/45/41/634264541.db2.gz MQERRNAVSQKQCI-RDBSUJKOSA-N 2 0 241.423 1.837 20 0 BDADRP Cc1nccnc1CC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925677718 634272827 /nfs/dbraw/zinc/27/28/27/634272827.db2.gz ZLPJSRAKIFABRM-CHWSQXEVSA-N 2 0 246.358 1.187 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925679046 634274327 /nfs/dbraw/zinc/27/43/27/634274327.db2.gz HIHVZLBMPCXSCH-GHMZBOCLSA-N 2 0 214.353 1.125 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1=CCOCC1 ZINC000925679585 634276516 /nfs/dbraw/zinc/27/65/16/634276516.db2.gz KNYNWNJQJDCMFI-VTXSZYRJSA-N 2 0 236.359 1.439 20 0 BDADRP CCO[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925686470 634300672 /nfs/dbraw/zinc/30/06/72/634300672.db2.gz UVYZJFLMLCSZRH-LPWJVIDDSA-N 2 0 238.375 1.804 20 0 BDADRP C1CCC([C@@H]2C[NH2+]CC[C@H]2N[C@H]2CC[NH2+]C2)C1 ZINC000925687755 634304011 /nfs/dbraw/zinc/30/40/11/634304011.db2.gz AUJRBTCSJJCNBV-MELADBBJSA-N 2 0 237.391 1.106 20 0 BDADRP C[C@H]([NH3+])[C@H](NCC[NH2+]C1CC1)c1ccccc1 ZINC000925692531 634323989 /nfs/dbraw/zinc/32/39/89/634323989.db2.gz MFGLCPOMZYGNSY-FZMZJTMJSA-N 2 0 233.359 1.417 20 0 BDADRP C[C@H]1[NH2+]CCC[C@H]1NCc1ccc(CC[NH3+])cc1 ZINC000925694287 634336686 /nfs/dbraw/zinc/33/66/86/634336686.db2.gz RTSKZUVEYGIXJH-IUODEOHRSA-N 2 0 247.386 1.418 20 0 BDADRP CC(C)C[C@H](C[NH3+])N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925695261 634346066 /nfs/dbraw/zinc/34/60/66/634346066.db2.gz VDJMCPLKZBGMRY-JHJVBQTASA-N 2 0 241.423 1.855 20 0 BDADRP C[C@@H]([NH3+])[C@H](NC1CC[NH2+]CC1)c1ccccc1 ZINC000925696040 634352080 /nfs/dbraw/zinc/35/20/80/634352080.db2.gz ZBLFFQNQEOLDAT-RISCZKNCSA-N 2 0 233.359 1.417 20 0 BDADRP [NH3+]CCC[C@@H](NC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000925695767 634353956 /nfs/dbraw/zinc/35/39/56/634353956.db2.gz WUOTZRJXZLOLLV-LSDHHAIUSA-N 2 0 247.386 1.808 20 0 BDADRP CC(C)[C@@H]1C[C@H]1C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925696685 634355152 /nfs/dbraw/zinc/35/51/52/634355152.db2.gz YEQXSKQTAQBBSK-SFWGVHFYSA-N 2 0 234.387 1.865 20 0 BDADRP C[C@H]([NH3+])[C@H](NC[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000925696943 634358752 /nfs/dbraw/zinc/35/87/52/634358752.db2.gz CCDJWENXCBNDHC-OBJOEFQTSA-N 2 0 233.359 1.274 20 0 BDADRP [NH3+][C@H](C[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)C1CC1 ZINC000925697558 634359350 /nfs/dbraw/zinc/35/93/50/634359350.db2.gz GHMOVKVXZMYRKC-REWJHTLYSA-N 2 0 238.375 1.519 20 0 BDADRP C[C@H]([NH3+])[C@H](N[C@@H]1CCC[NH2+][C@H]1C)c1ccccc1 ZINC000925698866 634365260 /nfs/dbraw/zinc/36/52/60/634365260.db2.gz HLJQGWVIBIWXKZ-VIRABCJISA-N 2 0 247.386 1.805 20 0 BDADRP CCC([NH3+])(CC)CN[C@H]1CC[NH2+]C1(C)C ZINC000925699650 634367056 /nfs/dbraw/zinc/36/70/56/634367056.db2.gz PDQWEZCKTBCFDD-JTQLQIEISA-N 2 0 213.369 1.234 20 0 BDADRP C[C@H]([NH3+])[C@@H](NCC1=CC[NH2+]CC1)c1ccccc1 ZINC000925700103 634368886 /nfs/dbraw/zinc/36/88/86/634368886.db2.gz RKVDCXYMUSOXJW-SWLSCSKDSA-N 2 0 245.370 1.584 20 0 BDADRP C[C@@H]([NH3+])CN(C)Cc1ccc2c(c1)CCO2 ZINC000258789573 635203317 /nfs/dbraw/zinc/20/33/17/635203317.db2.gz PXWXHIPUFZOTHK-SNVBAGLBSA-N 2 0 220.316 1.401 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000925772969 635219626 /nfs/dbraw/zinc/21/96/26/635219626.db2.gz LJGVCVQEARKKQU-LOWDOPEQSA-N 2 0 226.364 1.804 20 0 BDADRP C(C[C@H]1CCCO1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000925774232 635234655 /nfs/dbraw/zinc/23/46/55/635234655.db2.gz LOENNWGHGRCSHB-AAVRWANBSA-N 2 0 238.375 1.533 20 0 BDADRP COC[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)C1CCCC1 ZINC000925786052 635302925 /nfs/dbraw/zinc/30/29/25/635302925.db2.gz RICQFNXVKFJPTE-XBFCOCLRSA-N 2 0 240.391 1.637 20 0 BDADRP [NH3+]C1CCC([NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)CC1 ZINC000925830724 635466570 /nfs/dbraw/zinc/46/65/70/635466570.db2.gz LKQYQIDFZRRVCF-OESUJAFSSA-N 2 0 236.359 1.437 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](CCCCCCO)C1 ZINC000236170460 635594584 /nfs/dbraw/zinc/59/45/84/635594584.db2.gz WVTGOFXJHGQRSH-ZDUSSCGKSA-N 2 0 228.380 1.600 20 0 BDADRP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3CCC=CO3)C[C@]2(C)C1 ZINC000897621570 636826686 /nfs/dbraw/zinc/82/66/86/636826686.db2.gz IWFDHTCLBVQDKU-RDBSUJKOSA-N 2 0 236.359 1.563 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccncc1 ZINC000084215716 636875100 /nfs/dbraw/zinc/87/51/00/636875100.db2.gz MYQOIQDYXODKDU-CHWSQXEVSA-N 2 0 219.332 1.689 20 0 BDADRP [NH3+]C1CCC([NH2+]Cc2cn3ccccc3n2)CC1 ZINC000088627214 636901474 /nfs/dbraw/zinc/90/14/74/636901474.db2.gz FQRYYONAYXZYQP-UHFFFAOYSA-N 2 0 244.342 1.694 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc[nH]c(=O)c2)C1 ZINC000924704246 637012589 /nfs/dbraw/zinc/01/25/89/637012589.db2.gz CDSPJNFJYRBPCI-NEPJUHHUSA-N 2 0 249.358 1.780 20 0 BDADRP CCO[C@@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000042424613 637244403 /nfs/dbraw/zinc/24/44/03/637244403.db2.gz YURUCXLARRCQRD-CYBMUJFWSA-N 2 0 226.364 1.629 20 0 BDADRP CC(C)[C@@H](O)C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902363588 637301813 /nfs/dbraw/zinc/30/18/13/637301813.db2.gz XDHADMVYDDPZRT-NEPJUHHUSA-N 2 0 228.380 1.371 20 0 BDADRP C[C@]12COC[C@@H]1C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C2 ZINC000903463759 637363991 /nfs/dbraw/zinc/36/39/91/637363991.db2.gz LQYVGQDLGQRNSU-VOAKCMCISA-N 2 0 224.348 1.082 20 0 BDADRP C[NH2+]C[C@@H]1CCCCN1CC[C@H]1CCC[NH2+]C1 ZINC000903529216 637368019 /nfs/dbraw/zinc/36/80/19/637368019.db2.gz PMGLYMJBMTUJDN-KGLIPLIRSA-N 2 0 239.407 1.450 20 0 BDADRP Cn1nccc1[C@H]1CCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000903566361 637372165 /nfs/dbraw/zinc/37/21/65/637372165.db2.gz QURWTGFDVUEEHK-TZMCWYRMSA-N 2 0 248.374 1.557 20 0 BDADRP CC[N@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)C(C)C ZINC000903725365 637378247 /nfs/dbraw/zinc/37/82/47/637378247.db2.gz YYQONYUWFGLWTK-ZDUSSCGKSA-N 2 0 240.391 1.875 20 0 BDADRP CC[N@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903724847 637379183 /nfs/dbraw/zinc/37/91/83/637379183.db2.gz RDCWNYPZWBOXGB-OLZOCXBDSA-N 2 0 224.348 1.239 20 0 BDADRP CCC[C@H](C)[N@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903721939 637379397 /nfs/dbraw/zinc/37/93/97/637379397.db2.gz GGZAGHDORCOKFQ-MJBXVCDLSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCC[NH2+]C2)CC[C@@H]1C[NH3+] ZINC000903789453 637384168 /nfs/dbraw/zinc/38/41/68/637384168.db2.gz XIQYUJPLCIVBQN-MGPQQGTHSA-N 3 0 239.407 1.293 20 0 BDADRP CC1(C)C[NH2+]C[C@@H]1NCc1ccc(C[NH3+])cc1 ZINC000904461661 637407184 /nfs/dbraw/zinc/40/71/84/637407184.db2.gz LRGOQGPNGOJQEA-ZDUSSCGKSA-N 2 0 233.359 1.233 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000904931425 637533916 /nfs/dbraw/zinc/53/39/16/637533916.db2.gz KZRPTDBRMNHMOV-AAEUAGOBSA-N 2 0 241.379 1.234 20 0 BDADRP C(c1noc([C@@H]2C[C@H]3C[C@H]3[NH2+]2)n1)C1CC[NH2+]CC1 ZINC000905315186 637744816 /nfs/dbraw/zinc/74/48/16/637744816.db2.gz TWRVNEQRBWWBQN-MXWKQRLJSA-N 2 0 248.330 1.035 20 0 BDADRP [NH3+]Cc1ccccc1-c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000905304506 637763152 /nfs/dbraw/zinc/76/31/52/637763152.db2.gz LELYIUBLKCSEMR-NSHDSACASA-N 2 0 244.298 1.620 20 0 BDADRP c1cc(OCC[C@@H]2CC[NH2+]C2)cc2c1C[NH2+]C2 ZINC000905613919 637868546 /nfs/dbraw/zinc/86/85/46/637868546.db2.gz IMVGCMHVUBFOED-NSHDSACASA-N 2 0 232.327 1.668 20 0 BDADRP O[C@H](C[NH2+][C@@H]1C[C@@H]2CCC[C@@H]12)C[NH+]1CCCC1 ZINC000905665038 637875876 /nfs/dbraw/zinc/87/58/76/637875876.db2.gz GGIWRQUBKUTUAH-REWJHTLYSA-N 2 0 238.375 1.221 20 0 BDADRP OC/C=C\C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000668489755 637933329 /nfs/dbraw/zinc/93/33/29/637933329.db2.gz MCFCJRWAUWACNK-UPHRSURJSA-N 2 0 247.342 1.189 20 0 BDADRP COc1cc(C)c(C[NH2+]C2CC([NH3+])C2)c(C)n1 ZINC000906510064 638183537 /nfs/dbraw/zinc/18/35/37/638183537.db2.gz MGBJWWZWTLHGLY-UHFFFAOYSA-N 2 0 235.331 1.286 20 0 BDADRP CC(C)N(C)c1ccc(C[NH2+]C2CC([NH3+])C2)cn1 ZINC000906510492 638183805 /nfs/dbraw/zinc/18/38/05/638183805.db2.gz KHJAWLAXRCUFIK-UHFFFAOYSA-N 2 0 248.374 1.506 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2cncc3ccccc32)C1 ZINC000906518490 638188249 /nfs/dbraw/zinc/18/82/49/638188249.db2.gz YXGGIEOXHPZUII-JOCQHMNTSA-N 2 0 227.311 1.814 20 0 BDADRP COc1cc(C[NH2+][C@H]2C[C@H]([NH3+])C2)ccc1C ZINC000906516952 638188471 /nfs/dbraw/zinc/18/84/71/638188471.db2.gz AECZXHSDIVJRFC-HAQNSBGRSA-N 2 0 220.316 1.583 20 0 BDADRP CCCC[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000906529412 638194616 /nfs/dbraw/zinc/19/46/16/638194616.db2.gz PCKFMDCLRGKCBW-UHFFFAOYSA-N 2 0 228.380 1.611 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)C23CC(C2)C[NH2+]3)c1 ZINC000911691841 639727574 /nfs/dbraw/zinc/72/75/74/639727574.db2.gz FOLXEGGVUOXLFK-UHFFFAOYSA-N 2 0 245.326 1.097 20 0 BDADRP CC(C)(C)[C@H]([NH3+])CC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000911719150 639742070 /nfs/dbraw/zinc/74/20/70/639742070.db2.gz CPZIJRXJRPMXTM-GHMZBOCLSA-N 2 0 241.379 1.090 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000911722157 639746309 /nfs/dbraw/zinc/74/63/09/639746309.db2.gz QHQPCEDLIGXESD-NWDGAFQWSA-N 2 0 241.379 1.090 20 0 BDADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCOC3CC3)C2)C1 ZINC000930575767 639813140 /nfs/dbraw/zinc/81/31/40/639813140.db2.gz DOXHTRDVDXRMLF-CQSZACIVSA-N 2 0 238.375 1.583 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)NC1(C[NH3+])CCCC1 ZINC000911800188 639821880 /nfs/dbraw/zinc/82/18/80/639821880.db2.gz PNDNCYWAFNCLES-NSHDSACASA-N 2 0 241.379 1.138 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000911880561 639866475 /nfs/dbraw/zinc/86/64/75/639866475.db2.gz NHHWBZLKCONLEI-UTUOFQBUSA-N 2 0 241.379 1.138 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)C[C@@H]([NH3+])CC(C)C ZINC000911883264 639866734 /nfs/dbraw/zinc/86/67/34/639866734.db2.gz XWWBHPVDWIAWSQ-RYUDHWBXSA-N 2 0 243.395 1.384 20 0 BDADRP CC1CC(C[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)C1 ZINC000930903708 639979298 /nfs/dbraw/zinc/97/92/98/639979298.db2.gz OHWQUNPYMGCNEB-RUXDESIVSA-N 2 0 240.391 1.421 20 0 BDADRP CC[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000930902649 639980166 /nfs/dbraw/zinc/98/01/66/639980166.db2.gz DLJWOXGREHAXKA-HZSPNIEDSA-N 2 0 240.391 1.421 20 0 BDADRP C[C@@H]1[C@@H]([NH+](C)C)CCN1C[C@H]1CCC[N@@H+]1C ZINC000931036510 640031053 /nfs/dbraw/zinc/03/10/53/640031053.db2.gz GMCXHBYTGXLVLT-UPJWGTAASA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1OCC[C@H]1C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931355990 640165355 /nfs/dbraw/zinc/16/53/55/640165355.db2.gz XMAWTLURBTUZGW-STQMWFEESA-N 2 0 240.391 1.828 20 0 BDADRP CC(C)OCC[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931430678 640200435 /nfs/dbraw/zinc/20/04/35/640200435.db2.gz QKMSHDRJBZZTHO-QWHCGFSZSA-N 2 0 226.364 1.295 20 0 BDADRP CC(C)COCC[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931437040 640203022 /nfs/dbraw/zinc/20/30/22/640203022.db2.gz MMJRTOBETPZFBQ-UONOGXRCSA-N 2 0 240.391 1.543 20 0 BDADRP C[C@@H]1CC[C@@H](C[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)O1 ZINC000931435560 640203829 /nfs/dbraw/zinc/20/38/29/640203829.db2.gz FZHWFNXGFMGCER-RQJABVFESA-N 2 0 238.375 1.437 20 0 BDADRP C[C@H](C1CC1)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931479826 640233963 /nfs/dbraw/zinc/23/39/63/640233963.db2.gz CTDQRODVUQMGOR-LLVKDONJSA-N 2 0 226.364 1.173 20 0 BDADRP CO[C@@H]1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2CN(C)CC3)C1 ZINC000931719622 640333270 /nfs/dbraw/zinc/33/32/70/640333270.db2.gz WJFUOLYMRPYCEJ-ZOBORPQBSA-N 2 0 238.375 1.722 20 0 BDADRP COCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000931724248 640340391 /nfs/dbraw/zinc/34/03/91/640340391.db2.gz AFKFPMWWZJKMGQ-UPJWGTAASA-N 2 0 226.364 1.580 20 0 BDADRP CC[C@@H](CO)[NH2+]CCC[NH+](CC)CC ZINC000931772845 640365160 /nfs/dbraw/zinc/36/51/60/640365160.db2.gz CKCIRXDSDHTXSP-NSHDSACASA-N 2 0 202.342 1.079 20 0 BDADRP C[NH+]1CCC(C[NH2+]C[C@@H]2CCCCO2)CC1 ZINC000044518003 640398822 /nfs/dbraw/zinc/39/88/22/640398822.db2.gz WZYVLKLJKGHEBR-ZDUSSCGKSA-N 2 0 226.364 1.487 20 0 BDADRP CC[NH+]1CCC(C[NH2+]Cc2cnc[nH]2)CC1 ZINC000054765260 640407970 /nfs/dbraw/zinc/40/79/70/640407970.db2.gz DYAATBWUGRIPCE-UHFFFAOYSA-N 2 0 222.336 1.231 20 0 BDADRP CC[NH2+]CC(=O)N[C@H](C)CCC[NH+](CC)CC ZINC000044646699 640445644 /nfs/dbraw/zinc/44/56/44/640445644.db2.gz KTLZJOKHKOQIOU-GFCCVEGCSA-N 2 0 243.395 1.223 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000223936003 640594663 /nfs/dbraw/zinc/59/46/63/640594663.db2.gz RPOFGRBEQIGBIB-HZSPNIEDSA-N 2 0 237.391 1.012 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@@H]1CCSC1 ZINC000224621991 640629514 /nfs/dbraw/zinc/62/95/14/640629514.db2.gz IXLJKJWLZKRZTF-WDEREUQCSA-N 2 0 214.378 1.423 20 0 BDADRP CC(C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000226072718 640725781 /nfs/dbraw/zinc/72/57/81/640725781.db2.gz GRMILDFQIMCGRW-WOPDTQHZSA-N 2 0 214.353 1.253 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C1 ZINC000933734439 640759011 /nfs/dbraw/zinc/75/90/11/640759011.db2.gz PWJYLRRAHUYQIC-IGQOVBAYSA-N 2 0 238.375 1.295 20 0 BDADRP C[C@H]1OCC[C@H]1C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933734845 640759503 /nfs/dbraw/zinc/75/95/03/640759503.db2.gz SCQPXAGFTVPNRL-ZOBORPQBSA-N 2 0 238.375 1.295 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCc2cnn(C)c2)C1 ZINC000226422552 640761974 /nfs/dbraw/zinc/76/19/74/640761974.db2.gz LKLUOWMHUZADJF-AAEUAGOBSA-N 2 0 236.363 1.022 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](CCCCCCO)C1 ZINC000226420629 640762962 /nfs/dbraw/zinc/76/29/62/640762962.db2.gz OBRUIAHAAXPVET-LBPRGKRZSA-N 2 0 214.353 1.080 20 0 BDADRP COc1cc(C)nc(CN2CC[NH2+]C[C@H]2C)c1 ZINC000158065094 640788990 /nfs/dbraw/zinc/78/89/90/640788990.db2.gz RBZLLMHEDNMCMV-LLVKDONJSA-N 2 0 235.331 1.192 20 0 BDADRP C[NH+]1CCC(C)(CNC(=[NH2+])NC(C)(C)C)CC1 ZINC000227197376 640819321 /nfs/dbraw/zinc/81/93/21/640819321.db2.gz XJMCPNUXHOOYAM-UHFFFAOYSA-N 2 0 240.395 1.631 20 0 BDADRP C[C@@H](O)C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227536213 640838584 /nfs/dbraw/zinc/83/85/84/640838584.db2.gz USSFRRDPOWPLCP-FXAINCCUSA-N 2 0 206.289 1.102 20 0 BDADRP C([NH2+]C[C@@H]1CCSC1)[C@H]1CCC[NH2+]1 ZINC000228554450 640880921 /nfs/dbraw/zinc/88/09/21/640880921.db2.gz HAMZJYNUKJIWNP-VHSXEESVSA-N 2 0 200.351 1.081 20 0 BDADRP C[N@H+](CCOCC1CC1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000087399822 640883417 /nfs/dbraw/zinc/88/34/17/640883417.db2.gz ZKVXEPJUNYZYJU-OLZOCXBDSA-N 2 0 226.364 1.472 20 0 BDADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@@H]1CCOC1 ZINC000061148367 640929301 /nfs/dbraw/zinc/92/93/01/640929301.db2.gz QLNUNAORTXJMRX-WODVXLOZSA-N 2 0 224.348 1.367 20 0 BDADRP C(C[N@@H+]1CCCOCC1)[C@@H]1CCC[NH2+]C1 ZINC000061918659 641009407 /nfs/dbraw/zinc/00/94/07/641009407.db2.gz XSSUELHMNUZQQM-LBPRGKRZSA-N 2 0 212.337 1.098 20 0 BDADRP C(C[N@@H+]1CCCOCC1)[C@H]1CCC[NH2+]C1 ZINC000061918658 641009872 /nfs/dbraw/zinc/00/98/72/641009872.db2.gz XSSUELHMNUZQQM-GFCCVEGCSA-N 2 0 212.337 1.098 20 0 BDADRP CC(C)CNC(=[NH2+])NC[C@@H](C)C[NH+]1CCCC1 ZINC000062072491 641019005 /nfs/dbraw/zinc/01/90/05/641019005.db2.gz QKJXQSHJWMAPEH-GFCCVEGCSA-N 2 0 240.395 1.488 20 0 BDADRP CCCCC1([NH2+]C[C@@H](O)C[N@H+](C)CC)CC1 ZINC000934201554 641099322 /nfs/dbraw/zinc/09/93/22/641099322.db2.gz AZGIJVDHBPEQBX-GFCCVEGCSA-N 2 0 228.380 1.611 20 0 BDADRP CCCCC1([NH2+]C[C@H](O)C[N@H+](C)CC)CC1 ZINC000934201555 641099637 /nfs/dbraw/zinc/09/96/37/641099637.db2.gz AZGIJVDHBPEQBX-LBPRGKRZSA-N 2 0 228.380 1.611 20 0 BDADRP CC1(C)CN(C[C@@]2(C)CCC[NH2+]C2)CCO1 ZINC000062862108 641100346 /nfs/dbraw/zinc/10/03/46/641100346.db2.gz QSOJALMYUJRNQX-ZDUSSCGKSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@]1(C[NH2+]C[C@@H]2CCCCO2)CCC[NH2+]C1 ZINC000062862862 641100909 /nfs/dbraw/zinc/10/09/09/641100909.db2.gz LTTXGWPKMBSDAC-QWHCGFSZSA-N 2 0 226.364 1.535 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@@H](O)CC1CCCC1 ZINC000232148786 641250483 /nfs/dbraw/zinc/25/04/83/641250483.db2.gz LAHRMNJAYXJZCG-BNOWGMLFSA-N 2 0 240.391 1.739 20 0 BDADRP COc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000089147080 641464933 /nfs/dbraw/zinc/46/49/33/641464933.db2.gz WZQVDOMJXSLSIR-DGCLKSJQSA-N 2 0 234.343 1.912 20 0 BDADRP C[C@H]1CC[C@@H](C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)O1 ZINC000723916494 711504850 /nfs/dbraw/zinc/50/48/50/711504850.db2.gz WWIDUBUTGXIHPO-XQHKEYJVSA-N 2 0 226.364 1.471 20 0 BDADRP C[N@@H+]1CCC[C@H](NC(=O)CCCCCC[NH3+])C1 ZINC000040673711 641535105 /nfs/dbraw/zinc/53/51/05/641535105.db2.gz QREDAZWDRUOILM-LBPRGKRZSA-N 2 0 241.379 1.106 20 0 BDADRP Cc1cc(NC[C@H]2CC[N@@H+](C(C)C)C2)nc(N)[nH+]1 ZINC000049390774 641716893 /nfs/dbraw/zinc/71/68/93/641716893.db2.gz PSGNQFLBBHTNJO-LLVKDONJSA-N 2 0 249.362 1.509 20 0 BDADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)CCCCC[NH3+] ZINC000154153890 641972155 /nfs/dbraw/zinc/97/21/55/641972155.db2.gz ROUHOBWSBVMWBE-GFCCVEGCSA-N 2 0 243.395 1.337 20 0 BDADRP C[NH+]1CCC(C[NH2+]C/C=C\Cl)CC1 ZINC000308106597 642367098 /nfs/dbraw/zinc/36/70/98/642367098.db2.gz RETRDDJWUYREPX-DJWKRKHSSA-N 2 0 202.729 1.670 20 0 BDADRP [NH3+]Cc1ccc(-c2nc([C@H]3CCC[NH2+]3)no2)cc1 ZINC000647156798 642391523 /nfs/dbraw/zinc/39/15/23/642391523.db2.gz SDISKMRMVGAZLP-LLVKDONJSA-N 2 0 244.298 1.620 20 0 BDADRP C[NH+]1CCC(C[NH2+]C[C@@H](O)c2ccco2)CC1 ZINC000070141778 642422003 /nfs/dbraw/zinc/42/20/03/642422003.db2.gz XBYBJKLHKJXAEI-GFCCVEGCSA-N 2 0 238.331 1.244 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@H]2CCCO2)C[C@H]1C[NH3+] ZINC000253236312 642632994 /nfs/dbraw/zinc/63/29/94/642632994.db2.gz NPILWZJRIFCJCP-JHJVBQTASA-N 2 0 226.364 1.472 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](CC[C@H]2CCCO2)C1 ZINC000253360842 642640390 /nfs/dbraw/zinc/64/03/90/642640390.db2.gz BCXZMMRTXQSAJQ-VXGBXAGGSA-N 2 0 212.337 1.226 20 0 BDADRP C[NH+](C)C1(CN[C@H]2CCCC[C@@H]2C[NH3+])CCC1 ZINC000097929577 642641650 /nfs/dbraw/zinc/64/16/50/642641650.db2.gz ZHMHYZOMGABNEW-OLZOCXBDSA-N 2 0 239.407 1.578 20 0 BDADRP CCN1CC[NH+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000233481267 642675369 /nfs/dbraw/zinc/67/53/69/642675369.db2.gz GNJAIKJDWSQILP-QWHCGFSZSA-N 2 0 225.380 1.012 20 0 BDADRP CCOCC[N@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000233743849 642691308 /nfs/dbraw/zinc/69/13/08/642691308.db2.gz ZCDDJQRWQUUQBB-NWDGAFQWSA-N 2 0 214.353 1.343 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCOC1 ZINC000070963775 643088429 /nfs/dbraw/zinc/08/84/29/643088429.db2.gz JFSYFSWPXJHLGK-STQMWFEESA-N 2 0 228.380 1.875 20 0 BDADRP C[C@H]([NH2+]CCCCCC[NH3+])[C@@H]1CCCC[NH2+]1 ZINC000843344398 643342918 /nfs/dbraw/zinc/34/29/18/643342918.db2.gz YYBXALKYEBPCJM-STQMWFEESA-N 3 0 227.396 1.626 20 0 BDADRP CC[C@H]1C[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)CCS1 ZINC000234087563 643469667 /nfs/dbraw/zinc/46/96/67/643469667.db2.gz UZBAYJJIHPXVFN-WOPDTQHZSA-N 2 0 228.405 1.669 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc[nH]c(=O)c2)C1 ZINC000921546964 643599890 /nfs/dbraw/zinc/59/98/90/643599890.db2.gz JWTLLRLTFMXEOL-GFCCVEGCSA-N 2 0 235.331 1.219 20 0 BDADRP C[N@H+](CCCCCC[NH3+])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000846219476 643648706 /nfs/dbraw/zinc/64/87/06/643648706.db2.gz BNLOUPDTWYZTDH-PBWFPOADSA-N 3 0 239.407 1.720 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccsc1 ZINC000084221822 643649926 /nfs/dbraw/zinc/64/99/26/643649926.db2.gz BMEHSTKLWRZWMZ-QWRGUYRKSA-N 2 0 210.346 1.965 20 0 BDADRP COC(=O)c1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000050245058 643658117 /nfs/dbraw/zinc/65/81/17/643658117.db2.gz FAXYTJXQXFCFJC-LBPRGKRZSA-N 2 0 248.326 1.254 20 0 BDADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)C[C@@H]1CCCCO1 ZINC000084385157 643659794 /nfs/dbraw/zinc/65/97/94/643659794.db2.gz TXHHLNRACUGQBC-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](C[C@H]2COc3ccccc3O2)C1 ZINC000050247655 643660631 /nfs/dbraw/zinc/66/06/31/643660631.db2.gz OMQCBWFGSZSZIK-NEPJUHHUSA-N 2 0 248.326 1.107 20 0 BDADRP CCC(CC)(CO)C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000230220136 643766685 /nfs/dbraw/zinc/76/66/85/643766685.db2.gz MKMJGPIGIBHCDQ-RYUDHWBXSA-N 2 0 228.380 1.502 20 0 BDADRP c1cncc(CCC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000929311366 644065957 /nfs/dbraw/zinc/06/59/57/644065957.db2.gz CFRGRFCYNABADN-OKILXGFUSA-N 2 0 231.343 1.165 20 0 BDADRP CCO[C@H](CNCc1cccn1C)C[NH+](C)C ZINC000922756579 644087454 /nfs/dbraw/zinc/08/74/54/644087454.db2.gz LVGWHWGUWYHHFW-CYBMUJFWSA-N 2 0 239.363 1.081 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]C1CCC([NH3+])CC1 ZINC000086496127 644141788 /nfs/dbraw/zinc/14/17/88/644141788.db2.gz GUCHPOYAFVGROZ-IKWCTNDRSA-N 3 0 225.380 1.377 20 0 BDADRP CCn1cnc2c1CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC000923274583 644309886 /nfs/dbraw/zinc/30/98/86/644309886.db2.gz MHMDNTSKGNMRFW-UHFFFAOYSA-N 2 0 248.374 1.261 20 0 BDADRP CCOCCOCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000923290529 644323512 /nfs/dbraw/zinc/32/35/12/644323512.db2.gz YNUBTKUYJKVDIE-CHWSQXEVSA-N 2 0 244.379 1.099 20 0 BDADRP CCCCCC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000923289793 644323907 /nfs/dbraw/zinc/32/39/07/644323907.db2.gz LZJFASCAHNUPAJ-RDBSUJKOSA-N 2 0 242.407 1.987 20 0 BDADRP CC[C@H]1CCCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923299957 644326417 /nfs/dbraw/zinc/32/64/17/644326417.db2.gz KDELNESDAJMFBM-STQMWFEESA-N 2 0 238.375 1.629 20 0 BDADRP C[C@@H]1C[C@@H](C)C[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923300255 644327004 /nfs/dbraw/zinc/32/70/04/644327004.db2.gz PEKPPKVIIJJLHL-UPJWGTAASA-N 2 0 238.375 1.343 20 0 BDADRP CC(C)[C@H](C)[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923306126 644339789 /nfs/dbraw/zinc/33/97/89/644339789.db2.gz QOZOTKLCPXFPMJ-RYUDHWBXSA-N 2 0 226.364 1.341 20 0 BDADRP CC[C@@H](C)C[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923312287 644341184 /nfs/dbraw/zinc/34/11/84/644341184.db2.gz DCGHZNKEAQFFPT-VXGBXAGGSA-N 2 0 226.364 1.343 20 0 BDADRP CC[C@H](C)C[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923312286 644341856 /nfs/dbraw/zinc/34/18/56/644341856.db2.gz DCGHZNKEAQFFPT-RYUDHWBXSA-N 2 0 226.364 1.343 20 0 BDADRP CC[C@]1(C)CC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923315966 644343064 /nfs/dbraw/zinc/34/30/64/644343064.db2.gz AEVARYZDGBIKRR-QWHCGFSZSA-N 2 0 238.375 1.487 20 0 BDADRP CC[C@@H]1CC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923318844 644344644 /nfs/dbraw/zinc/34/46/44/644344644.db2.gz PQARCFBUTKXXRS-NEPJUHHUSA-N 2 0 224.348 1.097 20 0 BDADRP C[C@@H]1CCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923310212 644347643 /nfs/dbraw/zinc/34/76/43/644347643.db2.gz ZBWRMVLXWYXFIX-CHWSQXEVSA-N 2 0 238.375 1.487 20 0 BDADRP C[NH2+]CCC1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000923327239 644351526 /nfs/dbraw/zinc/35/15/26/644351526.db2.gz MEQBPXKSHFYLRQ-UHFFFAOYSA-N 3 0 239.407 1.450 20 0 BDADRP C[NH2+]CCC1CC[NH+](C[C@@H](O)CSC)CC1 ZINC000923325792 644352743 /nfs/dbraw/zinc/35/27/43/644352743.db2.gz CTTMZGYFYSCWHE-GFCCVEGCSA-N 2 0 246.420 1.032 20 0 BDADRP Cn1cc([C@H]2CC[N@H+](CCC[NH2+]C3CC3)C2)cn1 ZINC000923325273 644352767 /nfs/dbraw/zinc/35/27/67/644352767.db2.gz SQNZFYLUBWPJNM-LBPRGKRZSA-N 2 0 248.374 1.352 20 0 BDADRP CC[N@H+](C[C@@H](O)CSC)[C@@H]1CCC[NH2+]CC1 ZINC000923336143 644356739 /nfs/dbraw/zinc/35/67/39/644356739.db2.gz QMCKFQBAJLFPQI-VXGBXAGGSA-N 2 0 246.420 1.174 20 0 BDADRP CC(C)CC[C@@H](O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000923331550 644361375 /nfs/dbraw/zinc/36/13/75/644361375.db2.gz LSTZHZUYELFSSK-ZIAGYGMSSA-N 2 0 240.391 1.469 20 0 BDADRP CC(C)CC[C@H](O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000923357943 644366605 /nfs/dbraw/zinc/36/66/05/644366605.db2.gz BMACFMBLMPQTSR-IHRRRGAJSA-N 2 0 240.391 1.467 20 0 BDADRP CC[C@H](O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000923360328 644384801 /nfs/dbraw/zinc/38/48/01/644384801.db2.gz ZZXBQIMSCGUNLP-RDBSUJKOSA-N 2 0 240.391 1.469 20 0 BDADRP Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H]([NH3+])C[C@@H]2O)cc1C ZINC000923378083 644390895 /nfs/dbraw/zinc/39/08/95/644390895.db2.gz ZQTOIUNURFLISI-MXAVVETBSA-N 2 0 248.370 1.805 20 0 BDADRP CC[C@@H]1[C@@H](C)CC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923376300 644391830 /nfs/dbraw/zinc/39/18/30/644391830.db2.gz KSJGFIQKHKKEEC-YNEHKIRRSA-N 2 0 238.375 1.485 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1)c1ccccc1 ZINC000923378081 644392236 /nfs/dbraw/zinc/39/22/36/644392236.db2.gz ZNDOEGSPSNGBGO-OCCSQVGLSA-N 2 0 246.354 1.716 20 0 BDADRP C[C@@]12COC[C@H]1C[N@H+](CCC[NH2+]C1CC1)C2 ZINC000923387250 644398708 /nfs/dbraw/zinc/39/87/08/644398708.db2.gz CFQUHOJBGAPJHY-DGCLKSJQSA-N 2 0 224.348 1.097 20 0 BDADRP C[C@H]1CCCN(CCC[NH2+]C2CC2)[C@@H]1CC[NH3+] ZINC000923387960 644399635 /nfs/dbraw/zinc/39/96/35/644399635.db2.gz PNWQJTQHLVIKDO-GXTWGEPZSA-N 2 0 239.407 1.578 20 0 BDADRP CN(CCC[NH2+]C1CC1)CC[NH+]1CCCCC1 ZINC000923393757 644401342 /nfs/dbraw/zinc/40/13/42/644401342.db2.gz XKSBONPNMGBSFO-UHFFFAOYSA-N 2 0 239.407 1.546 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@H](O)Cc1ccccc1 ZINC000923393291 644402652 /nfs/dbraw/zinc/40/26/52/644402652.db2.gz OBIGSSRMDYBPJQ-BPLDGKMQSA-N 2 0 248.370 1.402 20 0 BDADRP C[N@H+](CCOCC[NH3+])CCc1cccc(F)c1 ZINC000923403471 644406889 /nfs/dbraw/zinc/40/68/89/644406889.db2.gz QMRKDARIXRNQML-UHFFFAOYSA-N 2 0 240.322 1.275 20 0 BDADRP C[C@@H](O)C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000923415892 644408548 /nfs/dbraw/zinc/40/85/48/644408548.db2.gz SDVPVGZCWWXWIN-ZYHUDNBSSA-N 2 0 214.353 1.064 20 0 BDADRP CN(CCC[NH2+]C1CC1)C1(C[NH3+])CCCCC1 ZINC000923422633 644418631 /nfs/dbraw/zinc/41/86/31/644418631.db2.gz LKOXDQIILQPXOV-UHFFFAOYSA-N 2 0 239.407 1.722 20 0 BDADRP CC1(C)[C@H]([NH2+]C[C@@H](O)c2ccccc2)C[C@@H]1[NH3+] ZINC000923423795 644418732 /nfs/dbraw/zinc/41/87/32/644418732.db2.gz ZLGJFERGEBOEOL-FRRDWIJNSA-N 2 0 234.343 1.435 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@H](O)CC(F)(F)F ZINC000923423190 644419497 /nfs/dbraw/zinc/41/94/97/644419497.db2.gz VTXAQCNHGRFQSK-PRJMDXOYSA-N 2 0 240.269 1.015 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccco1 ZINC000084215986 644419750 /nfs/dbraw/zinc/41/97/50/644419750.db2.gz UDCAOJYQQWQFPN-AAEUAGOBSA-N 2 0 222.332 1.929 20 0 BDADRP CSC[C@H](O)C[N@H+](C)CCCCCC[NH3+] ZINC000923428574 644421610 /nfs/dbraw/zinc/42/16/10/644421610.db2.gz XZPPRSGTLNOEOF-LLVKDONJSA-N 2 0 234.409 1.161 20 0 BDADRP C[N@H+](CCC1CC[NH2+]CC1)C[C@H]1CCOC1 ZINC000085438568 644441241 /nfs/dbraw/zinc/44/12/41/644441241.db2.gz LYFCQRGHXBQHMA-CYBMUJFWSA-N 2 0 226.364 1.344 20 0 BDADRP CCC[C@H](C)CCC[N@@H+]1CCNCC[NH2+]CC1 ZINC000923461528 644446120 /nfs/dbraw/zinc/44/61/20/644446120.db2.gz YHBFPRWFCIFHKD-AWEZNQCLSA-N 2 0 241.423 1.698 20 0 BDADRP Cc1cc(C[N@@H+](C)C2CCC([NH3+])CC2)on1 ZINC000085869841 644451104 /nfs/dbraw/zinc/45/11/04/644451104.db2.gz ZIUOULWDANTASN-UHFFFAOYSA-N 2 0 223.320 1.685 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000923483537 644458646 /nfs/dbraw/zinc/45/86/46/644458646.db2.gz BQSOALZRIBUBBG-QWHCGFSZSA-N 3 0 225.380 1.047 20 0 BDADRP CN1CCC[C@H]1C[N@H+](C)CCCCCC[NH3+] ZINC000086189422 644459624 /nfs/dbraw/zinc/45/96/24/644459624.db2.gz AEJVRHKJTCPYMA-ZDUSSCGKSA-N 2 0 227.396 1.532 20 0 BDADRP COCCCCC[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923481311 644460159 /nfs/dbraw/zinc/46/01/59/644460159.db2.gz ITLCSWKLZSHPTC-LBPRGKRZSA-N 2 0 214.353 1.474 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@H](CC[NH3+])C1)C1CCCC1 ZINC000923481343 644460347 /nfs/dbraw/zinc/46/03/47/644460347.db2.gz QKJULEDYNNTYRY-GXTWGEPZSA-N 2 0 240.391 1.862 20 0 BDADRP CCO[C@H](C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1)C1CC1 ZINC000923489799 644465772 /nfs/dbraw/zinc/46/57/72/644465772.db2.gz LCHSPWCCKRFWQT-KWCYVHTRSA-N 2 0 240.391 1.718 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C2CCC(O)CC2)C1 ZINC000086401879 644466770 /nfs/dbraw/zinc/46/67/70/644466770.db2.gz FGUDLXUDTWXFCL-ZYGVAYEYSA-N 2 0 212.337 1.149 20 0 BDADRP COc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cn1 ZINC000923492132 644467581 /nfs/dbraw/zinc/46/75/81/644467581.db2.gz WFECFTXNQIEJHZ-YPMHNXCESA-N 2 0 249.358 1.507 20 0 BDADRP COC1CC(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC000923491939 644468175 /nfs/dbraw/zinc/46/81/75/644468175.db2.gz VIAKSFPDYTWUKP-IGJPJIBNSA-N 2 0 226.364 1.328 20 0 BDADRP COc1ccc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cn1 ZINC000923492130 644468200 /nfs/dbraw/zinc/46/82/00/644468200.db2.gz WFECFTXNQIEJHZ-DGCLKSJQSA-N 2 0 249.358 1.507 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cscn2)CC[C@@H]1C[NH3+] ZINC000923496924 644471301 /nfs/dbraw/zinc/47/13/01/644471301.db2.gz CRCDCKUOODEQQP-NXEZZACHSA-N 2 0 225.361 1.560 20 0 BDADRP Cc1cnc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)o1 ZINC000923500302 644471846 /nfs/dbraw/zinc/47/18/46/644471846.db2.gz NHVRKPULMVTGSL-KOLCDFICSA-N 2 0 223.320 1.400 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CC[C@H]1C[NH3+] ZINC000923499706 644472188 /nfs/dbraw/zinc/47/21/88/644472188.db2.gz LLGJXFRMBOFOHX-RDBSUJKOSA-N 3 0 239.407 1.293 20 0 BDADRP CCc1cnc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)o1 ZINC000923499451 644474266 /nfs/dbraw/zinc/47/42/66/644474266.db2.gz KXOPQQIMSMXOOE-QWRGUYRKSA-N 2 0 237.347 1.654 20 0 BDADRP CC[NH+](CC)CCCN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518950 644482508 /nfs/dbraw/zinc/48/25/08/644482508.db2.gz HDQVOTCSLOHZIJ-UONOGXRCSA-N 2 0 239.407 1.260 20 0 BDADRP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518383 644484002 /nfs/dbraw/zinc/48/40/02/644484002.db2.gz DQWSSGZQJQVREB-NIFZNCRKSA-N 2 0 234.387 1.964 20 0 BDADRP C(CN1CC[C@@]2(C1)CCCC[NH2+]2)[C@H]1CC[NH2+]C1 ZINC000923532281 644489811 /nfs/dbraw/zinc/48/98/11/644489811.db2.gz AHPBJRCXQFUAGP-ZIAGYGMSSA-N 2 0 237.391 1.204 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1cccc(=O)[nH]1 ZINC000923554089 644494710 /nfs/dbraw/zinc/49/47/10/644494710.db2.gz MLVIBALJSUDZKM-LBPRGKRZSA-N 2 0 249.358 1.609 20 0 BDADRP [NH3+]CC[C@H]1CN(C[C@H]2CC[NH2+]C2)c2ccccc21 ZINC000923554548 644497850 /nfs/dbraw/zinc/49/78/50/644497850.db2.gz JHESGKNMVDVSOZ-STQMWFEESA-N 2 0 245.370 1.549 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCN1CCCCC1 ZINC000089145774 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C[N@H+](CC[C@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250017270 644745915 /nfs/dbraw/zinc/74/59/15/644745915.db2.gz XEBRFTRJTHTDMR-QNMSZWNNSA-N 2 0 238.375 1.770 20 0 BDADRP COCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000250162381 644748345 /nfs/dbraw/zinc/74/83/45/644748345.db2.gz FFWZXGRTPWKHJY-YNEHKIRRSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H](O)C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000251271336 644800547 /nfs/dbraw/zinc/80/05/47/644800547.db2.gz XOSLWBJEDOSSKX-SDDRHHMPSA-N 2 0 214.353 1.268 20 0 BDADRP C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000251285497 644801169 /nfs/dbraw/zinc/80/11/69/644801169.db2.gz NBUHZLGPWAINLL-RDBSUJKOSA-N 2 0 237.391 1.202 20 0 BDADRP CC[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000251857328 644828623 /nfs/dbraw/zinc/82/86/23/644828623.db2.gz SKOPBCDZCMFLMP-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H]1C[NH+](C[C@@]2(C)CCC[NH2+]C2)C[C@H]1C ZINC000252648906 644872436 /nfs/dbraw/zinc/87/24/36/644872436.db2.gz WHTVMMTVUIIJGB-UPJWGTAASA-N 2 0 210.365 1.964 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CC[C@]2(CCC[NH2+]2)C1 ZINC000415137364 644885904 /nfs/dbraw/zinc/88/59/04/644885904.db2.gz IVKQXHRNSUNENM-CHWSQXEVSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@H](O)C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000252746064 644897443 /nfs/dbraw/zinc/89/74/43/644897443.db2.gz BDUTZANBONMRHU-GJHMDTBVSA-N 2 0 226.364 1.361 20 0 BDADRP COCCCC[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000252841236 644913133 /nfs/dbraw/zinc/91/31/33/644913133.db2.gz DDGNSIMMAZUSSF-NEPJUHHUSA-N 2 0 214.353 1.330 20 0 BDADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)CCCCCC[NH3+] ZINC000834362086 645138319 /nfs/dbraw/zinc/13/83/19/645138319.db2.gz ZXDMPAKQOQZDNS-RYUDHWBXSA-N 2 0 241.379 1.091 20 0 BDADRP C[C@H]1CNC[C@@H]([NH2+]CCCCCC[NH3+])C1 ZINC000843129628 645266458 /nfs/dbraw/zinc/26/64/58/645266458.db2.gz QTZOXYBDHFIIGX-NEPJUHHUSA-N 2 0 213.369 1.093 20 0 BDADRP C[C@H]([NH3+])Cc1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000843227299 645274154 /nfs/dbraw/zinc/27/41/54/645274154.db2.gz XSTJKKZHTUPLNC-QMMMGPOBSA-N 2 0 243.270 1.274 20 0 BDADRP c1ccc([C@H]2CC[N@@H+](C[C@H]3CC[NH2+]C3)C2)nc1 ZINC000843388774 645289286 /nfs/dbraw/zinc/28/92/86/645289286.db2.gz FJRJJQUHMWEWQK-STQMWFEESA-N 2 0 231.343 1.480 20 0 BDADRP CC[C@@H]1COC[C@@H]1[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000926573767 645292692 /nfs/dbraw/zinc/29/26/92/645292692.db2.gz PNZBZOLUZRJCFZ-MJBXVCDLSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)CCCCCC[NH3+] ZINC000843506380 645293443 /nfs/dbraw/zinc/29/34/43/645293443.db2.gz YXUJIAGPYZZFKJ-MNOVXSKESA-N 2 0 229.368 1.138 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1cccc(C[NH3+])c1 ZINC000843507986 645294237 /nfs/dbraw/zinc/29/42/37/645294237.db2.gz OKKWNCXKTHWAOG-NXEZZACHSA-N 2 0 235.331 1.001 20 0 BDADRP CC[NH2+]CC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000844187973 645315679 /nfs/dbraw/zinc/31/56/79/645315679.db2.gz RTEHRIVEJUQYNH-LLVKDONJSA-N 2 0 243.395 1.079 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CC12CC2 ZINC000926619068 645320080 /nfs/dbraw/zinc/32/00/80/645320080.db2.gz WVUQWHGLKHCTIH-FBTJUVTCSA-N 2 0 206.333 1.469 20 0 BDADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CO[C@@H](C)[C@@H]1C ZINC000926646311 645331942 /nfs/dbraw/zinc/33/19/42/645331942.db2.gz XNALEVMXMKCSRI-MELADBBJSA-N 2 0 242.407 1.977 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cn(C)cn1 ZINC000926665530 645345347 /nfs/dbraw/zinc/34/53/47/645345347.db2.gz GPQCNSUZGRDLJB-UTUOFQBUSA-N 2 0 236.363 1.411 20 0 BDADRP [NH3+]CC1(CC[NH2+][C@@H]2CC[C@H]2C2CC2)CC1 ZINC000844919261 645348590 /nfs/dbraw/zinc/34/85/90/645348590.db2.gz DAXTXBGEVDHWKN-NWDGAFQWSA-N 2 0 208.349 1.894 20 0 BDADRP CN1CC[C@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925487288 645463728 /nfs/dbraw/zinc/46/37/28/645463728.db2.gz MQDOYUCVQSQIAN-LSDHHAIUSA-N 2 0 247.386 1.760 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@H]1CC[NH2+]C12CCC2 ZINC000925488018 645500421 /nfs/dbraw/zinc/50/04/21/645500421.db2.gz ANABVBQKHQMNMZ-STQMWFEESA-N 2 0 239.407 1.591 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@]1(C)CCOC1 ZINC000925488728 645519203 /nfs/dbraw/zinc/51/92/03/645519203.db2.gz VOUBUOMWWIEFRR-CMPLNLGQSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H]1C[N@H+](C)[C@@H](C)CN1C[C@H]1CCC[NH+]1C ZINC000930162157 645533901 /nfs/dbraw/zinc/53/39/01/645533901.db2.gz NGTRDOBUJWEZMB-RWMBFGLXSA-N 2 0 225.380 1.105 20 0 BDADRP COC[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925492234 645669176 /nfs/dbraw/zinc/66/91/76/645669176.db2.gz XHAJYCUTWYLVBS-HBNTYKKESA-N 2 0 214.353 1.517 20 0 BDADRP CC[N@@H+]1CCC[C@H](N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925494016 645727462 /nfs/dbraw/zinc/72/74/62/645727462.db2.gz NHLUXYQMENSXIO-QWHCGFSZSA-N 2 0 237.391 1.345 20 0 BDADRP C[NH+](C)CCC[NH2+][C@@H]1CCCC[C@@H]1CCCO ZINC000924540963 646061883 /nfs/dbraw/zinc/06/18/83/646061883.db2.gz RQTJDHFAFNFKHI-ZIAGYGMSSA-N 2 0 242.407 1.859 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@H]1[C@H](C)CC[C@@H]1C ZINC000924652530 646086108 /nfs/dbraw/zinc/08/61/08/646086108.db2.gz AXLIOFXKLKJWSS-WDNDVIMCSA-N 2 0 242.407 1.979 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1CCOCC1 ZINC000924882639 646122943 /nfs/dbraw/zinc/12/29/43/646122943.db2.gz REOLEEWMNMBCRD-PBWFPOADSA-N 2 0 238.375 1.343 20 0 BDADRP C[C@@H]1C[C@@H](N[C@@H]2C[NH+]3C[C@@H]2CCC3)CC[N@@H+]1C ZINC000925140513 646192723 /nfs/dbraw/zinc/19/27/23/646192723.db2.gz JTZOTRJTSATMCK-ZOBORPQBSA-N 2 0 237.391 1.153 20 0 BDADRP CC[NH+]1CCC(CC[NH2+][C@@H]2COC[C@@H]2C)CC1 ZINC000925153518 646195231 /nfs/dbraw/zinc/19/52/31/646195231.db2.gz ZKZYAHOPADBFNE-GXTWGEPZSA-N 2 0 240.391 1.733 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@H+](CCOC2CC2)C1 ZINC000929637435 646215764 /nfs/dbraw/zinc/21/57/64/646215764.db2.gz IHTJTLYOAQPYHI-NSHDSACASA-N 2 0 212.337 1.049 20 0 BDADRP CC[C@H](CO)[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000929750228 646281855 /nfs/dbraw/zinc/28/18/55/646281855.db2.gz SXVPIRORITUQIQ-CHWSQXEVSA-N 2 0 228.380 1.421 20 0 BDADRP C[C@H]([NH3+])[C@@H](NC[C@H](C)[NH+](C)C)c1ccccc1 ZINC000925495727 646298743 /nfs/dbraw/zinc/29/87/43/646298743.db2.gz NMJDGIFVMAJDAG-SGMGOOAPSA-N 2 0 235.375 1.615 20 0 BDADRP CCCCOCCC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925496104 646300902 /nfs/dbraw/zinc/30/09/02/646300902.db2.gz XKQJTKMLMJDIHH-GFCCVEGCSA-N 2 0 228.380 1.923 20 0 BDADRP C[C@H]([NH3+])[C@H](NC[C@H](C)[NH+](C)C)c1ccccc1 ZINC000925495725 646302080 /nfs/dbraw/zinc/30/20/80/646302080.db2.gz NMJDGIFVMAJDAG-OBJOEFQTSA-N 2 0 235.375 1.615 20 0 BDADRP CSCC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925504189 646305183 /nfs/dbraw/zinc/30/51/83/646305183.db2.gz KWEMDHVEBCRUPF-NXEZZACHSA-N 2 0 216.394 1.845 20 0 BDADRP CSCCCC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925506337 646306691 /nfs/dbraw/zinc/30/66/91/646306691.db2.gz VZICYGHHSDQWPS-JTQLQIEISA-N 2 0 216.394 1.860 20 0 BDADRP C(C[NH+]1CCCC1)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000925508090 646309254 /nfs/dbraw/zinc/30/92/54/646309254.db2.gz FBQYKVVMOQNLAW-CYBMUJFWSA-N 2 0 237.391 1.347 20 0 BDADRP CCNC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925512865 646311297 /nfs/dbraw/zinc/31/12/97/646311297.db2.gz GIFPVEOHYSQPJJ-HBNTYKKESA-N 2 0 241.379 1.007 20 0 BDADRP C[C@@H]1C[C@@H](N[C@@H]2CC[NH2+]C2(C)C)CC[N@@H+]1C ZINC000925519596 646313664 /nfs/dbraw/zinc/31/36/64/646313664.db2.gz UVGZGFQSKJZRTO-GRYCIOLGSA-N 2 0 225.380 1.199 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CC1(CCO)CCCC1 ZINC000925528476 646318334 /nfs/dbraw/zinc/31/83/34/646318334.db2.gz UPVTWCAXLXTCQL-GFCCVEGCSA-N 2 0 240.391 1.659 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CC2(CO)CC2)C1 ZINC000925529932 646319483 /nfs/dbraw/zinc/31/94/83/646319483.db2.gz NYUVRUBTPVULAP-GHMZBOCLSA-N 2 0 226.364 1.255 20 0 BDADRP COCCCCC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925530478 646319972 /nfs/dbraw/zinc/31/99/72/646319972.db2.gz RIDPSZVZRRFKEJ-NSHDSACASA-N 2 0 214.353 1.533 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCn1cccn1 ZINC000925533729 646320334 /nfs/dbraw/zinc/32/03/34/646320334.db2.gz OVFDIGJFTSSNLU-VTXSZYRJSA-N 2 0 248.374 1.379 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@H](N[C@H]2CC[NH2+]C2(C)C)C1 ZINC000925540572 646322763 /nfs/dbraw/zinc/32/27/63/646322763.db2.gz CWDAZSMWCGJDMS-XQQFMLRXSA-N 2 0 239.407 1.589 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CC2CCOCC2)C1 ZINC000925546619 646325937 /nfs/dbraw/zinc/32/59/37/646325937.db2.gz LNZPWYUZAXMHJM-QWHCGFSZSA-N 2 0 240.391 1.909 20 0 BDADRP CC1(C)C[C@@H]([NH2+][C@H]2CCCOC2)C[C@@H]([NH3+])C1 ZINC000925550332 646327420 /nfs/dbraw/zinc/32/74/20/646327420.db2.gz RARCWEWMCZTOLB-WOPDTQHZSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@@H]1CC[NH2+]C1(C)C ZINC000925553422 646328390 /nfs/dbraw/zinc/32/83/90/646328390.db2.gz RHYXSSPCLPPLBQ-RAIGVLPGSA-N 2 0 237.391 1.199 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@@H]1CC[NH2+]C1(C)C ZINC000925574749 646341204 /nfs/dbraw/zinc/34/12/04/646341204.db2.gz DFAFBZDLSOGOKI-NWDGAFQWSA-N 2 0 227.396 1.447 20 0 BDADRP CNC(=O)CCC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925601597 646353131 /nfs/dbraw/zinc/35/31/31/646353131.db2.gz MEHUQLOSTURDGA-MNOVXSKESA-N 2 0 241.379 1.008 20 0 BDADRP COCC1([NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925603143 646354777 /nfs/dbraw/zinc/35/47/77/646354777.db2.gz ICMVVRJOWWBRQO-ZJUUUORDSA-N 2 0 210.321 1.025 20 0 BDADRP COCC1([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925603142 646355938 /nfs/dbraw/zinc/35/59/38/646355938.db2.gz ICMVVRJOWWBRQO-VHSXEESVSA-N 2 0 210.321 1.025 20 0 BDADRP CCC1(O)CCC([NH2+][C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925617924 646364087 /nfs/dbraw/zinc/36/40/87/646364087.db2.gz XWIJNDLVOYJYCB-LXVYMNJGSA-N 2 0 240.391 1.800 20 0 BDADRP C1=CC[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925620637 646367162 /nfs/dbraw/zinc/36/71/62/646367162.db2.gz WKRJHEFQRJHHRE-RYUDHWBXSA-N 2 0 206.333 1.969 20 0 BDADRP C[C@@H]1CCC[N@@H+]1CCN[C@@H]1CC[NH2+]C1(C)C ZINC000925621837 646367950 /nfs/dbraw/zinc/36/79/50/646367950.db2.gz GZAVALVXRJSMKU-VXGBXAGGSA-N 2 0 225.380 1.201 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCn2cccn2)C1 ZINC000925624330 646369479 /nfs/dbraw/zinc/36/94/79/646369479.db2.gz ZNZNFZRQYOUPJM-VXGBXAGGSA-N 2 0 236.363 1.379 20 0 BDADRP C[C@H](CCO)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925622371 646369778 /nfs/dbraw/zinc/36/97/78/646369778.db2.gz KSUPTNXMEFJYSY-VXGBXAGGSA-N 2 0 226.364 1.269 20 0 BDADRP CC1(C)C[C@@H]([NH2+]C[C@H]2CC[C@H](O)C2)C[C@@H]([NH3+])C1 ZINC000925648740 646388626 /nfs/dbraw/zinc/38/86/26/646388626.db2.gz FCMICJMLFQUCEC-RNJOBUHISA-N 2 0 240.391 1.643 20 0 BDADRP CC1(C)C[C@@H]([NH2+]C[C@H]2CC[C@@H](O)C2)C[C@@H]([NH3+])C1 ZINC000925648738 646390227 /nfs/dbraw/zinc/39/02/27/646390227.db2.gz FCMICJMLFQUCEC-QNWHQSFQSA-N 2 0 240.391 1.643 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925651346 646391562 /nfs/dbraw/zinc/39/15/62/646391562.db2.gz AZSVGCDHDSUAMX-VOAKCMCISA-N 2 0 240.391 1.907 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCCCO)C1 ZINC000925655754 646394640 /nfs/dbraw/zinc/39/46/40/646394640.db2.gz HLBBSCHXAHFLMR-QWRGUYRKSA-N 2 0 214.353 1.255 20 0 BDADRP CC1CCC(C)(C[NH2+][C@@H]2CNCCOC2)CC1 ZINC000925662467 646398913 /nfs/dbraw/zinc/39/89/13/646398913.db2.gz IQKWAVYOWBDNEY-ROKHWSDSSA-N 2 0 240.391 1.781 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCCF ZINC000925677622 646407439 /nfs/dbraw/zinc/40/74/39/646407439.db2.gz WOURMSKMYPMSIZ-ZYANWLCNSA-N 2 0 214.328 1.842 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925680766 646408441 /nfs/dbraw/zinc/40/84/41/646408441.db2.gz UBKHLSICSHWPIN-NEPJUHHUSA-N 2 0 226.364 1.269 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@@H](NCC[NH2+]C2CC2)C1 ZINC000925690735 646415977 /nfs/dbraw/zinc/41/59/77/646415977.db2.gz GYMQSGYUNRGNEB-CMPLNLGQSA-N 2 0 225.380 1.234 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1NC[C@@H]([NH3+])c1ccccc1 ZINC000925691064 646416855 /nfs/dbraw/zinc/41/68/55/646416855.db2.gz IHSZMEFDOLPTTG-IACUBPJLSA-N 2 0 233.359 1.417 20 0 BDADRP CC[NH2+]CCN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925694728 646419757 /nfs/dbraw/zinc/41/97/57/646419757.db2.gz SMDUXPLPQPMGIV-KBPBESRZSA-N 2 0 239.407 1.354 20 0 BDADRP [NH3+][C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C12CCC2 ZINC000925695074 646420577 /nfs/dbraw/zinc/42/05/77/646420577.db2.gz VZCRDRRIELRMLO-RSMQCKGYSA-N 2 0 235.375 1.129 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@H]1CCC[NH2+][C@H]1C ZINC000925700036 646423916 /nfs/dbraw/zinc/42/39/16/646423916.db2.gz RBZMLJUSYSTGHT-TUAOUCFPSA-N 2 0 213.369 1.234 20 0 BDADRP C[NH2+][C@@H](C)CN[C@@H](CCC[NH3+])c1ccccc1 ZINC000925701313 646424538 /nfs/dbraw/zinc/42/45/38/646424538.db2.gz XKBIQYXKOFVQFH-JSGCOSHPSA-N 2 0 235.375 1.664 20 0 BDADRP CC[NH2+][C@H](C)CN[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925701432 646425541 /nfs/dbraw/zinc/42/55/41/646425541.db2.gz ZIKUQSNRHFTSID-WOPDTQHZSA-N 2 0 227.396 1.480 20 0 BDADRP CC[NH2+][C@H](C)CN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925701431 646425882 /nfs/dbraw/zinc/42/58/82/646425882.db2.gz ZIKUQSNRHFTSID-UTUOFQBUSA-N 2 0 227.396 1.480 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H](CO)C2CCC2)C1 ZINC000925707142 646431189 /nfs/dbraw/zinc/43/11/89/646431189.db2.gz PEDVBHZSYIHFCU-JHJVBQTASA-N 2 0 240.391 1.643 20 0 BDADRP CC1(C)C[C@@H]([NH2+][C@H](CO)C2CCC2)C[C@@H]([NH3+])C1 ZINC000925707141 646431507 /nfs/dbraw/zinc/43/15/07/646431507.db2.gz PEDVBHZSYIHFCU-FRRDWIJNSA-N 2 0 240.391 1.643 20 0 BDADRP CC1(C)[C@H]([NH2+][C@H]2CC23CC3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925709254 646433986 /nfs/dbraw/zinc/43/39/86/646433986.db2.gz UNYNSTODLWUMHH-NOOOWODRSA-N 2 0 220.360 1.905 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000925709693 646434070 /nfs/dbraw/zinc/43/40/70/646434070.db2.gz PSUQACDRECUXHD-VZANTVGXSA-N 3 0 249.402 1.234 20 0 BDADRP C1[C@@H](N[C@H]2CC[NH2+]C23CCCC3)C12CC[NH2+]CC2 ZINC000925709662 646434780 /nfs/dbraw/zinc/43/47/80/646434780.db2.gz PIIILGFYSFSWKI-QWHCGFSZSA-N 2 0 249.402 1.393 20 0 BDADRP C1[C@H](N[C@@H]2CC[NH2+]C23CCCC3)C12CC[NH2+]CC2 ZINC000925709661 646435094 /nfs/dbraw/zinc/43/50/94/646435094.db2.gz PIIILGFYSFSWKI-OLZOCXBDSA-N 2 0 249.402 1.393 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@H]1CCC[NH2+][C@@H]1C ZINC000925715151 646440339 /nfs/dbraw/zinc/44/03/39/646440339.db2.gz FBHJARGKRRLPIX-UTUOFQBUSA-N 3 0 213.369 1.090 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925716590 646441156 /nfs/dbraw/zinc/44/11/56/646441156.db2.gz AUBYNPKNTQUZQA-OUAUKWLOSA-N 2 0 212.337 1.142 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@@H]1CCC[NH2+][C@H]1C ZINC000925715149 646441218 /nfs/dbraw/zinc/44/12/18/646441218.db2.gz FBHJARGKRRLPIX-QJPTWQEYSA-N 3 0 213.369 1.090 20 0 BDADRP C[C@@H]1CC[C@H](N[C@@H]2CC[NH2+]C23CCC3)C[NH2+]1 ZINC000925717430 646442320 /nfs/dbraw/zinc/44/23/20/646442320.db2.gz JPIHGGNMPSVRLX-GRYCIOLGSA-N 2 0 223.364 1.001 20 0 BDADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925724932 646450819 /nfs/dbraw/zinc/45/08/19/646450819.db2.gz FUVCYXKFYAEVIC-FDYHWXHSSA-N 3 0 237.391 1.363 20 0 BDADRP COCC1CC([NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925729015 646454637 /nfs/dbraw/zinc/45/46/37/646454637.db2.gz NTJAUXZRLPTSQH-MVKMKZAISA-N 2 0 240.391 1.907 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1C=CCC1 ZINC000925732115 646456667 /nfs/dbraw/zinc/45/66/67/646456667.db2.gz OJSWWNNOPFBQQM-JHJVBQTASA-N 2 0 208.349 1.930 20 0 BDADRP Cc1nccnc1[C@H](C)NCCC(C)(C)[NH3+] ZINC000925737430 646460546 /nfs/dbraw/zinc/46/05/46/646460546.db2.gz IKECIMAMJSVSOP-VIFPVBQESA-N 2 0 222.336 1.563 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])C1 ZINC000925736066 646460724 /nfs/dbraw/zinc/46/07/24/646460724.db2.gz KVQOJACLCLJAAU-VLEAKVRGSA-N 2 0 200.326 1.127 20 0 BDADRP CC(C)([NH3+])CCN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925736959 646461176 /nfs/dbraw/zinc/46/11/76/646461176.db2.gz LWUOPWINXIXCQT-MNOVXSKESA-N 3 0 227.396 1.609 20 0 BDADRP C[C@@H](NCCC(C)(C)[NH3+])[C@@H]1CCCC[NH2+]1 ZINC000925739535 646461850 /nfs/dbraw/zinc/46/18/50/646461850.db2.gz YEDLJIBUDNGHIT-MNOVXSKESA-N 2 0 213.369 1.234 20 0 BDADRP CCC1([NH3+])CCN([C@@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000925761203 646466390 /nfs/dbraw/zinc/46/63/90/646466390.db2.gz VJAKSVJTYSACIX-STQMWFEESA-N 2 0 239.407 1.720 20 0 BDADRP C[C@H]([NH2+]Cc1cc(N)ccn1)C1CC[NH+](C)CC1 ZINC000925770379 646471722 /nfs/dbraw/zinc/47/17/22/646471722.db2.gz HCIGNUIKQRVLSF-NSHDSACASA-N 2 0 248.374 1.484 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC[C@H]1CCCO1 ZINC000925773938 646473210 /nfs/dbraw/zinc/47/32/10/646473210.db2.gz IGBKLNJMAGABRW-GMTAPVOTSA-N 2 0 200.326 1.271 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CC[C@H]1CCCO1 ZINC000925773561 646473819 /nfs/dbraw/zinc/47/38/19/646473819.db2.gz DEOZPXZMRLMUES-UTUOFQBUSA-N 2 0 212.337 1.273 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H](C1CC1)C1CCC1 ZINC000925779902 646477556 /nfs/dbraw/zinc/47/75/56/646477556.db2.gz NOGNNNPPPGXODK-OASPWFOLSA-N 2 0 208.349 1.763 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)CCO1 ZINC000925782492 646479410 /nfs/dbraw/zinc/47/94/10/646479410.db2.gz LWJMRPGEUMFRNK-OUAUKWLOSA-N 2 0 248.317 1.388 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000925782424 646479937 /nfs/dbraw/zinc/47/99/37/646479937.db2.gz GHKMPJUFOMWLFB-NZEXEKPDSA-N 2 0 208.349 1.763 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000925787103 646483305 /nfs/dbraw/zinc/48/33/05/646483305.db2.gz WOSVYIFHCUJLKA-LPTSXCQYSA-N 2 0 208.349 1.763 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000925786856 646483499 /nfs/dbraw/zinc/48/34/99/646483499.db2.gz WEOXQJSRRAMEKO-GWNIPJSYSA-N 2 0 208.349 1.620 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000925786858 646483554 /nfs/dbraw/zinc/48/35/54/646483554.db2.gz WEOXQJSRRAMEKO-LPTSXCQYSA-N 2 0 208.349 1.620 20 0 BDADRP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925793356 646484265 /nfs/dbraw/zinc/48/42/65/646484265.db2.gz YACYJKMXSXYYPU-SCVCMEIPSA-N 2 0 236.363 1.235 20 0 BDADRP CC[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCOC1 ZINC000925795719 646486945 /nfs/dbraw/zinc/48/69/45/646486945.db2.gz IDHFIVDXCOGLRN-SYQHCUMBSA-N 2 0 240.391 1.637 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000925798368 646487082 /nfs/dbraw/zinc/48/70/82/646487082.db2.gz WHQUBJLHBFAPHB-SYQHCUMBSA-N 2 0 239.407 1.352 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)C1CCOCC1 ZINC000925799950 646487097 /nfs/dbraw/zinc/48/70/97/646487097.db2.gz QDLGTWLNRZBNGU-YRGRVCCFSA-N 2 0 240.391 1.637 20 0 BDADRP Cc1nccnc1[C@H](C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925802674 646487870 /nfs/dbraw/zinc/48/78/70/646487870.db2.gz HWRFBTVHIGSUGI-NTZNESFSSA-N 2 0 248.374 1.681 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000925804026 646488845 /nfs/dbraw/zinc/48/88/45/646488845.db2.gz YATULNPKXVLUDT-DGAVXFQQSA-N 3 0 239.407 1.210 20 0 BDADRP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccoc1 ZINC000925812646 646490697 /nfs/dbraw/zinc/49/06/97/646490697.db2.gz XRZBVTIEPDZEHO-NSHDSACASA-N 2 0 237.347 1.353 20 0 BDADRP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925823837 646496656 /nfs/dbraw/zinc/49/66/56/646496656.db2.gz PPNJMPBDBPKJBI-HTXLXMOSSA-N 2 0 220.360 1.890 20 0 BDADRP C[C@@H]1COC[C@@H]1[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925828103 646499257 /nfs/dbraw/zinc/49/92/57/646499257.db2.gz ULRMVAVWHQXOEX-KKOKHZNYSA-N 2 0 226.364 1.517 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000925829070 646499550 /nfs/dbraw/zinc/49/95/50/646499550.db2.gz AUOCEYZAJOOUKP-HPCHECBXSA-N 2 0 236.359 1.295 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000925832425 646501923 /nfs/dbraw/zinc/50/19/23/646501923.db2.gz PPPYDECMORAQQY-QEYWKRMJSA-N 2 0 236.281 1.902 20 0 BDADRP Cc1cc(CC[NH2+][C@H]2CCC[NH2+]CC2)nn1C ZINC000925831205 646501952 /nfs/dbraw/zinc/50/19/52/646501952.db2.gz CVRJVBFILFRISM-LBPRGKRZSA-N 2 0 236.363 1.003 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)C1C[NH2+]C1 ZINC000925833634 646503019 /nfs/dbraw/zinc/50/30/19/646503019.db2.gz UNCLDMIBNDHCNM-BKPPORCPSA-N 2 0 222.254 1.382 20 0 BDADRP [NH3+]C1CCC([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000925836653 646505197 /nfs/dbraw/zinc/50/51/97/646505197.db2.gz CHVMYRQOYUWDFO-NWINJMCUSA-N 3 0 237.391 1.378 20 0 BDADRP C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)C1CC1 ZINC000925849000 646510156 /nfs/dbraw/zinc/51/01/56/646510156.db2.gz MRKBHNJKVMLBQA-CYBMUJFWSA-N 2 0 239.407 1.450 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000925856720 646510808 /nfs/dbraw/zinc/51/08/08/646510808.db2.gz KRBXSTDJCVURSW-FRRDWIJNSA-N 2 0 228.380 1.515 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])CCS1 ZINC000925862051 646514002 /nfs/dbraw/zinc/51/40/02/646514002.db2.gz WQYPAVGBETXPRV-CHWFTXMASA-N 2 0 214.378 1.740 20 0 BDADRP COC[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)C(C)C ZINC000925872936 646524457 /nfs/dbraw/zinc/52/44/57/646524457.db2.gz BNWCDTRIAGESQK-MJBXVCDLSA-N 2 0 242.407 1.883 20 0 BDADRP Cc1ccc(NCC[NH2+][C@H]2CCC[C@H]([NH3+])C2)nc1 ZINC000925877883 646527972 /nfs/dbraw/zinc/52/79/72/646527972.db2.gz NNMHKGPDOHVEHI-STQMWFEESA-N 2 0 248.374 1.661 20 0 BDADRP CC1(C)C[C@@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H]([NH3+])C1 ZINC000925880596 646530426 /nfs/dbraw/zinc/53/04/26/646530426.db2.gz UJCUVHNZNIQORG-XQHKEYJVSA-N 3 0 239.407 1.609 20 0 BDADRP C[C@H]([NH2+]CC1CCC=CCC1)C1C[NH2+]C1 ZINC000925882103 646530907 /nfs/dbraw/zinc/53/09/07/646530907.db2.gz WRGKNBQPBNDOAP-NSHDSACASA-N 2 0 208.349 1.930 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C2([C@H]3CCCCO3)CC2)C1 ZINC000925894248 646535083 /nfs/dbraw/zinc/53/50/83/646535083.db2.gz VLTGGZXPUXUJSP-FRRDWIJNSA-N 2 0 238.375 1.948 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCOC(F)F ZINC000926369182 646628542 /nfs/dbraw/zinc/62/85/42/646628542.db2.gz BNZDRQUDEPVZSH-ZACCUICWSA-N 2 0 248.317 1.546 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)c1cc[nH]c(=O)c1)C[NH+](C)C ZINC000926475789 646653498 /nfs/dbraw/zinc/65/34/98/646653498.db2.gz WYARVTMCCIPXPJ-MNOVXSKESA-N 2 0 237.347 1.636 20 0 BDADRP C[C@@H]1C[N@H+](CCCCCCO)C[C@H]1CC[NH3+] ZINC000723908425 711544545 /nfs/dbraw/zinc/54/45/45/711544545.db2.gz SDWSMQUXSJODQZ-CHWSQXEVSA-N 2 0 228.380 1.456 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@H]1CC[NH3+] ZINC000723887381 711543090 /nfs/dbraw/zinc/54/30/90/711543090.db2.gz TVIZGIKAANGAFK-JHJVBQTASA-N 2 0 226.364 1.472 20 0 BDADRP C[NH2+]CC1CC[NH+](C[C@H](COC)C(C)C)CC1 ZINC000721965277 711845235 /nfs/dbraw/zinc/84/52/35/711845235.db2.gz ZEELKTRDZYJQKT-CQSZACIVSA-N 2 0 242.407 1.836 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)C1 ZINC000721918290 711919667 /nfs/dbraw/zinc/91/96/67/711919667.db2.gz DCRXZPULRQKHLJ-KKOKHZNYSA-N 2 0 212.337 1.081 20 0 BDADRP C[C@H]1SCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H]1C ZINC000132493534 711960042 /nfs/dbraw/zinc/96/00/42/711960042.db2.gz VDWSSWFMUQSKJH-QCNOEVLYSA-N 2 0 228.405 1.940 20 0 BDADRP C[C@@H](CC[NH2+][C@@H]1CCCSC1)[NH+](C)C ZINC000700490166 711994596 /nfs/dbraw/zinc/99/45/96/711994596.db2.gz YHTSFEPBMUQARA-WDEREUQCSA-N 2 0 216.394 1.812 20 0 BDADRP C[C@H](C[C@@H]1CCOC1)[NH2+]CC[C@H](C)[NH+](C)C ZINC000700602476 712000583 /nfs/dbraw/zinc/00/05/83/712000583.db2.gz BJQNMGNIWMTQSW-AGIUHOORSA-N 2 0 228.380 1.731 20 0 BDADRP CCO[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000701715283 712028040 /nfs/dbraw/zinc/02/80/40/712028040.db2.gz JALCJDORYKTVDB-LBPRGKRZSA-N 2 0 212.337 1.097 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CCSC2)C1 ZINC000704811992 712118292 /nfs/dbraw/zinc/11/82/92/712118292.db2.gz KCYSIPQZZXJOAP-QJPTWQEYSA-N 2 0 228.405 1.989 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CC[C@@H]1CCSC1 ZINC000704810562 712118194 /nfs/dbraw/zinc/11/81/94/712118194.db2.gz BIWJXVGQGQDPOC-VXGBXAGGSA-N 2 0 246.420 1.473 20 0 BDADRP C[C@@H](F)CC[NH2+]CC1CC[NH+](C)CC1 ZINC000705746383 712135997 /nfs/dbraw/zinc/13/59/97/712135997.db2.gz LIPJWTYAJRJFRM-SNVBAGLBSA-N 2 0 202.317 1.666 20 0 BDADRP C[C@H]1CC[C@@H](C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)O1 ZINC000708187119 712184188 /nfs/dbraw/zinc/18/41/88/712184188.db2.gz RAUAFXILIJPDJH-KXNHARMFSA-N 2 0 212.337 1.081 20 0 BDADRP CCOC[C@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000708269467 712184940 /nfs/dbraw/zinc/18/49/40/712184940.db2.gz DBAQUMADIGJCOF-SDDRHHMPSA-N 2 0 212.337 1.082 20 0 BDADRP CC1(C)CO[C@H](C[N@@H+]2CC[C@](C)(C[NH3+])C2)C1 ZINC000708323451 712187256 /nfs/dbraw/zinc/18/72/56/712187256.db2.gz NBRMOURLRDHOKP-WCQYABFASA-N 2 0 226.364 1.472 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)CC[C@@H]1[NH3+] ZINC000708332113 712188151 /nfs/dbraw/zinc/18/81/51/712188151.db2.gz PHLCUMQOWMGDJD-AGIUHOORSA-N 2 0 240.391 1.861 20 0 BDADRP CO[C@H]1COCC[C@H]1[N@H+](C)CCCCCC[NH3+] ZINC000710724463 712255607 /nfs/dbraw/zinc/25/56/07/712255607.db2.gz MHAGBLGRBWGSOY-OLZOCXBDSA-N 2 0 244.379 1.241 20 0 BDADRP CC[C@@H](C)NC(=O)C[N@H+](C)CCCCCC[NH3+] ZINC000710749605 712255780 /nfs/dbraw/zinc/25/57/80/712255780.db2.gz IVNJTSSUFNTOCL-GFCCVEGCSA-N 2 0 243.395 1.352 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000923479856 712334303 /nfs/dbraw/zinc/33/43/03/712334303.db2.gz DPDKCTKNWHPBDK-CQSZACIVSA-N 3 0 239.407 1.437 20 0 BDADRP CCC[C@]1([NH2+]CC2CC[NH+](C)CC2)CCOC1 ZINC000378786671 712361240 /nfs/dbraw/zinc/36/12/40/712361240.db2.gz PJCZZORZIWKGAU-AWEZNQCLSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC(C)(C)[NH3+])CCO1 ZINC000379517597 712387151 /nfs/dbraw/zinc/38/71/51/712387151.db2.gz AZGQCFUGAAXPHL-NXEZZACHSA-N 2 0 200.326 1.271 20 0 BDADRP C[C@@H]([NH2+][C@@H]1C[C@@H]2CCCC[C@H]12)C1C[NH2+]C1 ZINC000712466073 712430749 /nfs/dbraw/zinc/43/07/49/712430749.db2.gz UNWWHEFJIYQSMN-RSLMWUCJSA-N 2 0 208.349 1.763 20 0 BDADRP C[N@@H+]1CCN(C(=O)CC(C)(C)[NH3+])CCC1(C)C ZINC000712667715 712439799 /nfs/dbraw/zinc/43/97/99/712439799.db2.gz CHPDRBSEFDWRMP-UHFFFAOYSA-N 2 0 241.379 1.057 20 0 BDADRP Cn1nccc1CCN1CC[NH2+]CCC1(C)C ZINC000712559524 712446031 /nfs/dbraw/zinc/44/60/31/712446031.db2.gz YFLSFYSYTDWHAA-UHFFFAOYSA-N 2 0 236.363 1.037 20 0 BDADRP C[C@@]1(C[NH3+])CC[N@H+](C[C@H]2CCC(C)(C)CO2)C1 ZINC000713588930 712466204 /nfs/dbraw/zinc/46/62/04/712466204.db2.gz YGWQFHOKMFDBJT-OCCSQVGLSA-N 2 0 240.391 1.862 20 0 BDADRP CC[C@H]1COC[C@@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715572657 712529451 /nfs/dbraw/zinc/52/94/51/712529451.db2.gz LWHOUMALXLIZOL-ABXWRUBCSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@H]1[C@H]1C[C@H]1C)C1C[NH2+]C1 ZINC000716666362 712569211 /nfs/dbraw/zinc/56/92/11/712569211.db2.gz XVQSKHYYDLLOJZ-UXMQXVNQSA-N 2 0 208.349 1.476 20 0 BDADRP CC[C@H](C)[N@H+](C)CCNc1cc(C)[nH+]c(N)n1 ZINC000221241252 712658829 /nfs/dbraw/zinc/65/88/29/712658829.db2.gz VUGYCKOODKSNNW-JTQLQIEISA-N 2 0 237.351 1.509 20 0 BDADRP C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1C)C1CC[NH+](C)CC1 ZINC000719643788 712819469 /nfs/dbraw/zinc/81/94/69/712819469.db2.gz FJDJDIVRVZASRP-SCRDCRAPSA-N 2 0 239.407 1.399 20 0 BDADRP Cc1csc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000722516962 710713464 /nfs/dbraw/zinc/71/34/64/710713464.db2.gz ZQHKWZHAKSIANV-MWLCHTKSSA-N 2 0 239.388 1.787 20 0 BDADRP CC[C@@H](CO)[N@H+](C)CCC[NH+]1CCCC1 ZINC000382056252 710769259 /nfs/dbraw/zinc/76/92/59/710769259.db2.gz BOKQLDPGRBMCSZ-LBPRGKRZSA-N 2 0 214.353 1.175 20 0 BDADRP CC[C@@H]1C[C@@H](C)C[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000399117505 710914169 /nfs/dbraw/zinc/91/41/69/710914169.db2.gz NFMCSEHGNDHODF-FVCCEPFGSA-N 2 0 210.365 1.962 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCS1 ZINC000133072271 710967954 /nfs/dbraw/zinc/96/79/54/710967954.db2.gz DPEXAQLYRZTICS-GRYCIOLGSA-N 2 0 228.405 1.941 20 0 BDADRP CC[NH+](CC)[C@H]1CCN(C[C@H]([NH3+])CC(F)F)C1 ZINC000383320903 710980608 /nfs/dbraw/zinc/98/06/08/710980608.db2.gz CIQQIXCKJDHORX-MNOVXSKESA-N 2 0 249.349 1.385 20 0 BDADRP FC1(F)CC[C@H](CN2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000385243719 711008427 /nfs/dbraw/zinc/00/84/27/711008427.db2.gz QLXSBTRVWSSVBR-AXFHLTTASA-N 2 0 230.302 1.716 20 0 BDADRP c1cc(CC[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)ccn1 ZINC000385614323 711015985 /nfs/dbraw/zinc/01/59/85/711015985.db2.gz OLFJHBJUYKJIPH-LXFSFDBISA-N 2 0 243.354 1.210 20 0 BDADRP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000387782540 711047109 /nfs/dbraw/zinc/04/71/09/711047109.db2.gz DPWJFKOLPHFGTK-VWBGDHHKSA-N 2 0 220.360 1.619 20 0 BDADRP CC1(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000390777562 711133292 /nfs/dbraw/zinc/13/32/92/711133292.db2.gz GOTDNDRHKRSCBQ-UHFFFAOYSA-N 2 0 208.349 1.862 20 0 BDADRP CC[C@H]([NH2+]CC1CC[NH+](C)CC1)C(C)(C)O ZINC000394020549 711181644 /nfs/dbraw/zinc/18/16/44/711181644.db2.gz LRYWHKRFQIXOAZ-LBPRGKRZSA-N 2 0 228.380 1.467 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@H](CO)C(C)(C)C)CC1 ZINC000393986657 711181748 /nfs/dbraw/zinc/18/17/48/711181748.db2.gz MENRRZHTFMXJSV-GFCCVEGCSA-N 2 0 228.380 1.325 20 0 BDADRP CC[NH+](CC)CCCN[C@@H]1CCC[NH2+][C@H]1C ZINC000396591811 711357383 /nfs/dbraw/zinc/35/73/83/711357383.db2.gz CQCSWZYPMWYADK-QWHCGFSZSA-N 2 0 227.396 1.448 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@H]1CCC[NH2+][C@H]1C ZINC000396612578 711360373 /nfs/dbraw/zinc/36/03/73/711360373.db2.gz KMSDKXYALRYIOI-STQMWFEESA-N 2 0 227.396 1.447 20 0 BDADRP CC[N@@H+]1CC[C@H](CN[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000396728333 711369548 /nfs/dbraw/zinc/36/95/48/711369548.db2.gz XEOHBBFIMQZYOT-JHJVBQTASA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cc[nH]c(=O)c1 ZINC000380979015 710596133 /nfs/dbraw/zinc/59/61/33/710596133.db2.gz HXIQPEJSBUIDRA-JTQLQIEISA-N 2 0 223.320 1.217 20 0 BDADRP C[N@@H+](Cc1ccon1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000381281760 710615602 /nfs/dbraw/zinc/61/56/02/710615602.db2.gz YKHAPACDCADORQ-ZJUUUORDSA-N 2 0 209.293 1.234 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@H](COC)C(C)C)C1 ZINC000721963006 710693808 /nfs/dbraw/zinc/69/38/08/710693808.db2.gz QROWBGUKUISCNM-UONOGXRCSA-N 2 0 242.407 1.836 20 0 BDADRP CC(C)OCCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000383065041 710923742 /nfs/dbraw/zinc/92/37/42/710923742.db2.gz OMFUTIJOBORHFJ-MEBFFEOJSA-N 2 0 238.375 1.388 20 0 BDADRP CCCN1CC[C@H]([NH2+]CC2CC[NH+](C)CC2)C1 ZINC000383076354 710950289 /nfs/dbraw/zinc/95/02/89/710950289.db2.gz RRSMOXQUMFQRTO-AWEZNQCLSA-N 3 0 239.407 1.402 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@H]1CCC[NH2+][C@H]1C ZINC000396666204 711363685 /nfs/dbraw/zinc/36/36/85/711363685.db2.gz OYXLWKCQDKMCPZ-AVGNSLFASA-N 2 0 227.396 1.447 20 0 BDADRP C[C@H](CCO)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000397609219 711387449 /nfs/dbraw/zinc/38/74/49/711387449.db2.gz BOUGVOIOVHONIZ-FUDCBSFHSA-N 2 0 240.391 1.610 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](CCCOC(F)(F)F)C1 ZINC000398183296 711401645 /nfs/dbraw/zinc/40/16/45/711401645.db2.gz NGZGSOGHPBAGEY-QMMMGPOBSA-N 2 0 226.242 1.194 20 0 BDADRP CSC[C@@H]1CCC[N@@H+]1CCC[NH2+]C1CC1 ZINC000400004015 711437882 /nfs/dbraw/zinc/43/78/82/711437882.db2.gz PSQQZBLUQZHTNE-LBPRGKRZSA-N 2 0 228.405 1.956 20 0 BDADRP CC[N@H+](CCNc1cc(C)[nH+]c(N)n1)C(C)C ZINC000726595281 711438833 /nfs/dbraw/zinc/43/88/33/711438833.db2.gz PIVKCNGCDJMUTC-UHFFFAOYSA-N 2 0 237.351 1.509 20 0 BDADRP C([NH2+][C@H]1CC[C@@H]2COCC[C@@H]2C1)C1C[NH2+]C1 ZINC000723638329 711528877 /nfs/dbraw/zinc/52/88/77/711528877.db2.gz WKOMUAIPEFOPFO-UPJWGTAASA-N 2 0 224.348 1.001 20 0 BDADRP CC(C)([NH3+])CC[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000723644064 711529532 /nfs/dbraw/zinc/52/95/32/711529532.db2.gz AKVDQHJFTLFMQJ-JHJVBQTASA-N 2 0 240.391 1.909 20 0 BDADRP C([NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000723647504 711529954 /nfs/dbraw/zinc/52/99/54/711529954.db2.gz QCCLSNZBVLQAGV-SYQHCUMBSA-N 2 0 238.375 1.533 20 0 BDADRP Cc1ncsc1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723713677 711535289 /nfs/dbraw/zinc/53/52/89/711535289.db2.gz XITHKGCKKLUOHU-SNVBAGLBSA-N 2 0 225.361 1.622 20 0 BDADRP Cc1cc(C)nc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000723877636 711542354 /nfs/dbraw/zinc/54/23/54/711542354.db2.gz XFQXPGWXACRGEK-STQMWFEESA-N 2 0 233.359 1.868 20 0 BDADRP C[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1CC[NH3+] ZINC000723886287 711543504 /nfs/dbraw/zinc/54/35/04/711543504.db2.gz JOWCXUTWKLMNTK-GHMZBOCLSA-N 2 0 239.388 1.602 20 0 BDADRP Cc1nccnc1C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723902380 711545062 /nfs/dbraw/zinc/54/50/62/711545062.db2.gz WLNYGVZFABXQRT-ZYHUDNBSSA-N 2 0 234.347 1.202 20 0 BDADRP C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000382658736 711546836 /nfs/dbraw/zinc/54/68/36/711546836.db2.gz WQEJAAKDRWHTEH-MCIONIFRSA-N 2 0 240.391 1.421 20 0 BDADRP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)[C@H]1CCCOC1 ZINC000723957068 711547543 /nfs/dbraw/zinc/54/75/43/711547543.db2.gz SYOZPSRLIDWIKG-ZOBORPQBSA-N 2 0 240.391 1.922 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(C3CCC3)CC2)C1 ZINC000383367905 711644025 /nfs/dbraw/zinc/64/40/25/711644025.db2.gz XSCYHSYYOCOXDF-QWHCGFSZSA-N 2 0 237.391 1.284 20 0 BDADRP COC/C(C)=C/C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000930555332 711696901 /nfs/dbraw/zinc/69/69/01/711696901.db2.gz MFTOZBUEUAYOLV-HIICFIELSA-N 2 0 238.375 1.607 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@@H]1CCC[NH2+][C@@H]1C ZINC000396612568 711702730 /nfs/dbraw/zinc/70/27/30/711702730.db2.gz KMSDKXYALRYIOI-CHWSQXEVSA-N 2 0 227.396 1.447 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc3c[nH]nc3c2)C1 ZINC000334847921 711719126 /nfs/dbraw/zinc/71/91/26/711719126.db2.gz YELZGBNHXCLKQC-OLZOCXBDSA-N 2 0 244.342 1.922 20 0 BDADRP C(CN1CC[C@]2(CCC[NH2+]2)C1)[C@@H]1CCC[NH2+]C1 ZINC000334979370 711719358 /nfs/dbraw/zinc/71/93/58/711719358.db2.gz FNXRTTZAJHCAHC-UONOGXRCSA-N 2 0 237.391 1.204 20 0 BDADRP Cn1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000257680310 711726435 /nfs/dbraw/zinc/72/64/35/711726435.db2.gz KVFFPCSYPCATTG-CQSZACIVSA-N 2 0 233.359 1.601 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000925787328 711751342 /nfs/dbraw/zinc/75/13/42/711751342.db2.gz YNPUBBPXXBXCHA-RQJABVFESA-N 2 0 237.391 1.058 20 0 BDADRP CN(C)c1cc[nH+]c(CN[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000925814302 711755021 /nfs/dbraw/zinc/75/50/21/711755021.db2.gz KFRWHDCPZXPVSK-VXGBXAGGSA-N 2 0 248.374 1.507 20 0 BDADRP C[C@H]1CSCCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000725661611 711759325 /nfs/dbraw/zinc/75/93/25/711759325.db2.gz MEQGXCSMRVCXRL-WDEREUQCSA-N 2 0 214.378 1.423 20 0 BDADRP Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000250806236 711760306 /nfs/dbraw/zinc/76/03/06/711760306.db2.gz NXNMEUCUOLVXPH-UHTWSYAYSA-N 2 0 248.374 1.515 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@]12C[C@H]1CCC2 ZINC000925880294 711762087 /nfs/dbraw/zinc/76/20/87/711762087.db2.gz IOYXQFFSYAOFDU-NDKCEZKHSA-N 2 0 238.375 1.519 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]C[C@]12C[C@H]1CCC2 ZINC000925880309 711762145 /nfs/dbraw/zinc/76/21/45/711762145.db2.gz IZYUFFCFEDEJCP-LPWJVIDDSA-N 2 0 208.349 1.894 20 0 BDADRP CC(C)(C)[C@H]([NH3+])CC(=O)NC1CCC([NH3+])CC1 ZINC000136942954 711762996 /nfs/dbraw/zinc/76/29/96/711762996.db2.gz XPLAKMLQPVQFGP-VQXHTEKXSA-N 2 0 241.379 1.136 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@H](O)CC(C)(C)C1 ZINC000879622186 711771115 /nfs/dbraw/zinc/77/11/15/711771115.db2.gz IVJRZULEFHURKF-CHWSQXEVSA-N 2 0 240.391 1.564 20 0 BDADRP COC[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C(C)C ZINC000721870051 711793054 /nfs/dbraw/zinc/79/30/54/711793054.db2.gz AYGPUEDLHIENEZ-HZSPNIEDSA-N 2 0 242.407 1.977 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000111273605 711803135 /nfs/dbraw/zinc/80/31/35/711803135.db2.gz RPOFGRBEQIGBIB-RDBSUJKOSA-N 2 0 237.391 1.012 20 0 BDADRP COC[C@H](C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1)C(C)C ZINC000721910917 711917388 /nfs/dbraw/zinc/91/73/88/711917388.db2.gz GPFONMATMDQTCT-UPJWGTAASA-N 2 0 228.380 1.574 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H](COC)C(C)C ZINC000721913698 711918190 /nfs/dbraw/zinc/91/81/90/711918190.db2.gz PNDKXAUZESOYRG-STQMWFEESA-N 2 0 228.380 1.589 20 0 BDADRP COC[C@@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C(C)C ZINC000721916608 711918988 /nfs/dbraw/zinc/91/89/88/711918988.db2.gz YZBWPSLYBJWGAH-FRRDWIJNSA-N 2 0 226.364 1.056 20 0 BDADRP C[C@@H]1CCCC[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000721937304 711941103 /nfs/dbraw/zinc/94/11/03/711941103.db2.gz DWWAMVXXGXSMSA-OCCSQVGLSA-N 2 0 239.407 1.578 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](Cc2ccncc2Cl)C1 ZINC000700640060 712001325 /nfs/dbraw/zinc/00/13/25/712001325.db2.gz MCMPZTCREJDWLI-JTQLQIEISA-N 2 0 239.750 1.906 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000700788972 712005432 /nfs/dbraw/zinc/00/54/32/712005432.db2.gz SKVTVEUBXNAZTB-MGPQQGTHSA-N 2 0 240.391 1.875 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CO[C@@H](C3CC3)C2)C12CCC2 ZINC000700990868 712010805 /nfs/dbraw/zinc/01/08/05/712010805.db2.gz ISHZLJFCNCFJGX-LPWJVIDDSA-N 2 0 236.359 1.413 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000702458716 712053591 /nfs/dbraw/zinc/05/35/91/712053591.db2.gz WXRDQWUACWSMMW-BFHYXJOUSA-N 2 0 239.407 1.243 20 0 BDADRP Cc1ncc(CN2C[C@@H]3C[NH2+]C[C@]3(C)C2)s1 ZINC000703538544 712078525 /nfs/dbraw/zinc/07/85/25/712078525.db2.gz MKWGOFLORJTFQD-CMPLNLGQSA-N 2 0 237.372 1.493 20 0 BDADRP CC(C)n1cc(CN2C[C@@H]3C[NH2+]C[C@]3(C)C2)cn1 ZINC000703614380 712081127 /nfs/dbraw/zinc/08/11/27/712081127.db2.gz NDDPNDZVYPNIPH-UONOGXRCSA-N 2 0 248.374 1.505 20 0 BDADRP C[C@H]([NH2+]C1CCC(C)(O)CC1)[C@@H]1CCC[NH2+]C1 ZINC000703614204 712081334 /nfs/dbraw/zinc/08/13/34/712081334.db2.gz LWFBEQQJRVPNPZ-MRFVTOPCSA-N 2 0 240.391 1.658 20 0 BDADRP COCCC1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000704147690 712100338 /nfs/dbraw/zinc/10/03/38/712100338.db2.gz SNFDIMBRRAQXJV-OCCSQVGLSA-N 2 0 240.391 1.590 20 0 BDADRP CC[N@@H+]1CC[C@@H](CNCc2cncc(OC)c2)C1 ZINC000704207247 712101087 /nfs/dbraw/zinc/10/10/87/712101087.db2.gz LYWHKQPAKXKMIT-LBPRGKRZSA-N 2 0 249.358 1.522 20 0 BDADRP CC1([NH3+])CC[NH+](C[C@@H](O)CC2CCCC2)CC1 ZINC000704581225 712112826 /nfs/dbraw/zinc/11/28/26/712112826.db2.gz LCCZSGOESALRMD-ZDUSSCGKSA-N 2 0 240.391 1.741 20 0 BDADRP CC[C@H](O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000705108582 712122419 /nfs/dbraw/zinc/12/24/19/712122419.db2.gz VGESERPXXUIVPQ-RYUDHWBXSA-N 2 0 214.353 1.031 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCCC(F)(F)CC2)C1 ZINC000705683555 712134090 /nfs/dbraw/zinc/13/40/90/712134090.db2.gz ZWSGDCRKNMSCKF-AOOOYVTPSA-N 2 0 218.291 1.845 20 0 BDADRP CCO[C@H]1CC[N@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000706469518 712146574 /nfs/dbraw/zinc/14/65/74/712146574.db2.gz PAUHYHMYADXZLY-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP CCO[C@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000706524678 712149446 /nfs/dbraw/zinc/14/94/46/712149446.db2.gz LVQOKFIAGQTRSI-AWEZNQCLSA-N 2 0 240.391 1.877 20 0 BDADRP C1CC12CCC[C@@H]2[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000706791619 712155864 /nfs/dbraw/zinc/15/58/64/712155864.db2.gz NHADWWSWJMTBKE-XNBXPENISA-N 2 0 232.371 1.905 20 0 BDADRP CS[C@@H]1CCCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000707330948 712168055 /nfs/dbraw/zinc/16/80/55/712168055.db2.gz RZYIPJIRYPWYEQ-GRYCIOLGSA-N 2 0 228.405 1.941 20 0 BDADRP CCOC[C@H]1CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000707525827 712171743 /nfs/dbraw/zinc/17/17/43/712171743.db2.gz UAPFHVKRKRXLPP-KGLIPLIRSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C[C@H]1C[NH3+] ZINC000708080708 712181451 /nfs/dbraw/zinc/18/14/51/712181451.db2.gz BRMDMPLBFBSPFJ-RKQHYHRCSA-N 2 0 222.376 1.949 20 0 BDADRP CC1(C)CO[C@H](C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)C1 ZINC000708346405 712189953 /nfs/dbraw/zinc/18/99/53/712189953.db2.gz FFMYFYWEPSDWMN-RWMBFGLXSA-N 2 0 238.375 1.485 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)CC[C@@H]1C[NH3+] ZINC000708352850 712190347 /nfs/dbraw/zinc/19/03/47/712190347.db2.gz DKODLEKSQVYTJW-UPJWGTAASA-N 2 0 240.391 1.718 20 0 BDADRP CC[C@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H](C)O1 ZINC000708390165 712192059 /nfs/dbraw/zinc/19/20/59/712192059.db2.gz QOMQXTGLBKHLGW-WYUUTHIRSA-N 2 0 212.337 1.223 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H](O)CC2CCCC2)C[C@H]1C[NH3+] ZINC000708827626 712200004 /nfs/dbraw/zinc/20/00/04/712200004.db2.gz YEZSYQQOWMHHOP-BNOWGMLFSA-N 2 0 240.391 1.454 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]C[C@@](C)(O)C[NH+](C)C)CS1 ZINC000709715489 712216950 /nfs/dbraw/zinc/21/69/50/712216950.db2.gz OSYZSKWABGRJAB-IJLUTSLNSA-N 2 0 246.420 1.173 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1C[C@H]3C[C@H]3C1)[NH2+]2 ZINC000709440453 712222189 /nfs/dbraw/zinc/22/21/89/712222189.db2.gz UQHYQVQROPLFFT-SDQVUQRESA-N 2 0 220.360 1.904 20 0 BDADRP C[NH+](C)C1(C)CC[NH+](CC2(O)CCCC2)CC1 ZINC000709774768 712222971 /nfs/dbraw/zinc/22/29/71/712222971.db2.gz BHRVRKFRHOZPLR-UHFFFAOYSA-N 2 0 240.391 1.708 20 0 BDADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC1CCC1)C2 ZINC000709858154 712230043 /nfs/dbraw/zinc/23/00/43/712230043.db2.gz ANKWOKSMLUXWGT-AVGNSLFASA-N 2 0 208.349 1.988 20 0 BDADRP [NH3+]C1CC[NH+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC1 ZINC000710510094 712253711 /nfs/dbraw/zinc/25/37/11/712253711.db2.gz SIZRXUMYWYNBKP-GUDFOSOFSA-N 2 0 230.302 1.701 20 0 BDADRP C[NH+](C)CC1(O)CC[NH+](CC2CCC2)CC1 ZINC000710640423 712264524 /nfs/dbraw/zinc/26/45/24/712264524.db2.gz BSJYYDAXHLMMLO-UHFFFAOYSA-N 2 0 226.364 1.175 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)C1 ZINC000711560441 712310438 /nfs/dbraw/zinc/31/04/38/712310438.db2.gz JHADAIAAFYCOCW-FDNPJPRYSA-N 2 0 212.362 1.019 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711544275 712310640 /nfs/dbraw/zinc/31/06/40/712310640.db2.gz IPEUFAJXNAFHMA-UTUOFQBUSA-N 2 0 226.389 1.281 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCOC2CC2)C1 ZINC000711734116 712320983 /nfs/dbraw/zinc/32/09/83/712320983.db2.gz YHZCOBCERANOFQ-QWRGUYRKSA-N 2 0 212.337 1.225 20 0 BDADRP C1=C[C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000711758235 712324761 /nfs/dbraw/zinc/32/47/61/712324761.db2.gz HDPUOUBJJLYBIM-IGQOVBAYSA-N 2 0 220.360 1.930 20 0 BDADRP C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)OC1CC1 ZINC000711760387 712326605 /nfs/dbraw/zinc/32/66/05/712326605.db2.gz URLRLHZFSJVVEZ-GXTWGEPZSA-N 2 0 238.375 1.629 20 0 BDADRP CC(C)CC[C@@H](O)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923480139 712334193 /nfs/dbraw/zinc/33/41/93/712334193.db2.gz VWCMDEKYEYYJNW-CHWSQXEVSA-N 2 0 228.380 1.454 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2nc3c(o2)CCCC3)C1 ZINC000923478948 712334171 /nfs/dbraw/zinc/33/41/71/712334171.db2.gz JYWGHKBBJDKCIY-LLVKDONJSA-N 2 0 249.358 1.724 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000923480285 712334175 /nfs/dbraw/zinc/33/41/75/712334175.db2.gz WLGRRKUBOILWBH-HUUCEWRRSA-N 2 0 248.370 1.261 20 0 BDADRP CC[C@@H]1C[C@H]1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000723099182 712391374 /nfs/dbraw/zinc/39/13/74/712391374.db2.gz WCMXQYNIXNVQEW-HZSPNIEDSA-N 2 0 237.391 1.012 20 0 BDADRP C=C/C=C\CC[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000713759805 712472099 /nfs/dbraw/zinc/47/20/99/712472099.db2.gz TZBKZDHTVLDSJB-VSQXVHSFSA-N 2 0 210.321 1.168 20 0 BDADRP COCCC[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714431895 712486210 /nfs/dbraw/zinc/48/62/10/712486210.db2.gz VGPDNSUQMIQRFX-UHFFFAOYSA-N 2 0 228.380 1.720 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000714722026 712496476 /nfs/dbraw/zinc/49/64/76/712496476.db2.gz HYHXPJGKRGDGJE-FDYHWXHSSA-N 2 0 226.364 1.532 20 0 BDADRP CC[C@H](C[C@H](C)O)[NH2+]CC1CC[NH+](C)CC1 ZINC000716804821 712575320 /nfs/dbraw/zinc/57/53/20/712575320.db2.gz ZXMLMNZHPUNWFB-WCQYABFASA-N 2 0 228.380 1.467 20 0 BDADRP CC[C@H](C[C@H](C)O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000716841466 712577813 /nfs/dbraw/zinc/57/78/13/712577813.db2.gz DZSKUICJAMFLSU-PJIALRRASA-N 2 0 240.391 1.751 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCOC1 ZINC000925486503 712610800 /nfs/dbraw/zinc/61/08/00/712610800.db2.gz HTKQDRSTYDPJGD-YRGRVCCFSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@]1(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCOC1 ZINC000925486502 712610853 /nfs/dbraw/zinc/61/08/53/712610853.db2.gz HTKQDRSTYDPJGD-MBNYWOFBSA-N 2 0 240.391 1.909 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC=CO1 ZINC000380003247 712651868 /nfs/dbraw/zinc/65/18/68/712651868.db2.gz ABOHMCHBSADLJO-SRVKXCTJSA-N 2 0 210.321 1.396 20 0 BDADRP C[C@@](C[NH3+])([NH2+]C[C@@H]1CC(C)(C)CO1)C1CC1 ZINC000717650947 712663212 /nfs/dbraw/zinc/66/32/12/712663212.db2.gz MFYXHVDDVARRRN-AAEUAGOBSA-N 2 0 226.364 1.519 20 0 BDADRP COC[C@H]1CCCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000717984480 712735304 /nfs/dbraw/zinc/73/53/04/712735304.db2.gz LTTHQPQMTWDZLB-RDBSUJKOSA-N 2 0 240.391 1.862 20 0 BDADRP [NH3+]CCCCCCC[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000718154935 712749134 /nfs/dbraw/zinc/74/91/34/712749134.db2.gz KVVVCTRWCLCCHE-BETUJISGSA-N 2 0 226.364 1.474 20 0 BDADRP C[C@@H]([NH2+]CCc1cccnc1)C1CC[NH+](C)CC1 ZINC000037718011 712750094 /nfs/dbraw/zinc/75/00/94/712750094.db2.gz AKFREQUMTCGSGT-CYBMUJFWSA-N 2 0 247.386 1.944 20 0 BDADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2c1cc[nH+]c(CO)c1 ZINC000720483281 712846601 /nfs/dbraw/zinc/84/66/01/712846601.db2.gz JHLRRHIIHXVWPG-ZIAGYGMSSA-N 2 0 247.342 1.247 20 0 BDADRP C[NH2+]CCN(CCCOC(C)C)C(C)C ZINC000720792127 712866101 /nfs/dbraw/zinc/86/61/01/712866101.db2.gz SLFJDLNULDNMKE-UHFFFAOYSA-N 2 0 216.369 1.731 20 0 BDADRP Cc1cc(N2CC[C@@H]3[C@H]2CCC[N@H+]3C)nc(N)[nH+]1 ZINC000720828644 712868744 /nfs/dbraw/zinc/86/87/44/712868744.db2.gz IXPXFLDOAUIBLA-GHMZBOCLSA-N 2 0 247.346 1.040 20 0 BDADRP CC1(C)CO[C@@H](C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000720827901 712868976 /nfs/dbraw/zinc/86/89/76/712868976.db2.gz LJLDCHGMAZQACT-OUCADQQQSA-N 2 0 238.375 1.343 20 0 BDADRP C[C@H](C[NH3+])N(C)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000720868269 712872027 /nfs/dbraw/zinc/87/20/27/712872027.db2.gz XJNLYTULDSJLKR-WISYIIOYSA-N 2 0 212.337 1.223 20 0 BDADRP C[N@H+](C[C@@H]1C[C@@H]2CCC[C@H]2O1)C1CC[NH2+]CC1 ZINC000720872624 712873307 /nfs/dbraw/zinc/87/33/07/712873307.db2.gz ORNRAGISTPNVOA-FPMFFAJLSA-N 2 0 238.375 1.628 20 0 BDADRP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2CCC[NH2+]C1CC1 ZINC000720902959 712876091 /nfs/dbraw/zinc/87/60/91/712876091.db2.gz WCZKQGTYLOIHJB-KBPBESRZSA-N 2 0 237.391 1.297 20 0 BDADRP C[NH2+][C@@H](CCCC[NH3+])c1nnc([C@H]2C[C@@H]2C)o1 ZINC001217704132 959554487 /nfs/dbraw/zinc/55/44/87/959554487.db2.gz SUWLESWPBPQQMX-GUBZILKMSA-N 2 0 238.335 1.583 20 0 BDADRP CC(C)COCC[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000300054000 960893981 /nfs/dbraw/zinc/89/39/81/960893981.db2.gz UZTQPNUKBHUDPH-OLZOCXBDSA-N 2 0 228.380 1.576 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[N@H+](C)C1COC1 ZINC001167824265 961139568 /nfs/dbraw/zinc/13/95/68/961139568.db2.gz CYMHYDCSCHOINA-LBPRGKRZSA-N 2 0 228.380 1.828 20 0 BDADRP C[C@H](C[NH+](C)C)Nc1[nH+]ccc2[nH]ccc21 ZINC001155913700 963202592 /nfs/dbraw/zinc/20/25/92/963202592.db2.gz BCEDBBIAUQMVKN-SECBINFHSA-N 2 0 218.304 1.925 20 0 BDADRP C[NH+]1CCC(CCN2CC[C@](C)([NH3+])C2)CC1 ZINC001204762717 963367760 /nfs/dbraw/zinc/36/77/60/963367760.db2.gz BGNVKTYZZRWDIF-ZDUSSCGKSA-N 2 0 225.380 1.141 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCCCC[NH+](C)C)CCO1 ZINC001168072605 963603236 /nfs/dbraw/zinc/60/32/36/963603236.db2.gz UXETXYGTYMTFKD-OLZOCXBDSA-N 2 0 228.380 1.875 20 0 BDADRP C[C@@H]1C[N@@H+](C2CCC([NH+](C)C)CC2)CCO1 ZINC001168315339 964427688 /nfs/dbraw/zinc/42/76/88/964427688.db2.gz UWFAVFSEWAXDKU-PNESKVBLSA-N 2 0 226.364 1.580 20 0 BDADRP C[N@H+](CCOCC[NH3+])Cc1ccc(Cl)cn1 ZINC000699534597 965946047 /nfs/dbraw/zinc/94/60/47/965946047.db2.gz AOWXXIAJMKBZML-UHFFFAOYSA-N 2 0 243.738 1.142 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@H]2CC[C@H](O)CC2)CC1 ZINC000715291358 966185493 /nfs/dbraw/zinc/18/54/93/966185493.db2.gz HWYRHOZZTUMZJC-VKNLNRKYSA-N 2 0 240.391 1.752 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2CC[C@@H](CO)C2)CC1 ZINC000715541807 967153757 /nfs/dbraw/zinc/15/37/57/967153757.db2.gz IQJXTPQPIJCCDY-PNESKVBLSA-N 2 0 226.364 1.173 20 0 BDADRP C[C@H]1C[N@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)C[C@H]1C[NH3+] ZINC001205130674 967373855 /nfs/dbraw/zinc/37/38/55/967373855.db2.gz LHRFFFXHJHNASA-PDWCTOEPSA-N 2 0 220.360 1.725 20 0 BDADRP CN1CC[NH+](CCCC2=CCC[N@H+](C)C2)CC1 ZINC001250228747 967537273 /nfs/dbraw/zinc/53/72/73/967537273.db2.gz INQAXMMJRCSYPH-UHFFFAOYSA-N 2 0 237.391 1.276 20 0 BDADRP [NH3+]C[C@]1(O)CCCC[N@H+](CC2CCCC2)C1 ZINC001205664139 967760207 /nfs/dbraw/zinc/76/02/07/967760207.db2.gz MMNQNRDPVAXYGH-CYBMUJFWSA-N 2 0 226.364 1.352 20 0 BDADRP [NH3+]Cc1cccc(N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC001162395382 967827125 /nfs/dbraw/zinc/82/71/25/967827125.db2.gz CJQQYLNJXZGRKR-DGCLKSJQSA-N 2 0 219.332 1.827 20 0 BDADRP COCOCCC[N@@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205983083 967931779 /nfs/dbraw/zinc/93/17/79/967931779.db2.gz NQYKWOUKQVLNAG-CHWSQXEVSA-N 2 0 244.379 1.304 20 0 BDADRP CC[C@@H](O)C[NH2+][C@H]1CCN(CC(C)C)C1 ZINC001251813904 968346627 /nfs/dbraw/zinc/34/66/27/968346627.db2.gz DKTJATRKFRDLFH-NWDGAFQWSA-N 2 0 214.353 1.077 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H]([NH2+]C[C@H](C)O)[C@@H](C)C1 ZINC001251978146 968419725 /nfs/dbraw/zinc/41/97/25/968419725.db2.gz NMYLLKMHWZXZIE-SDDRHHMPSA-N 2 0 214.353 1.076 20 0 BDADRP C[NH+](C)CC(C)(C)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC001207285382 968716780 /nfs/dbraw/zinc/71/67/80/968716780.db2.gz IVBGPINDNKKORM-ZDUSSCGKSA-N 2 0 239.407 1.354 20 0 BDADRP C[C@@H]1C[N@H+](CCC2CC[NH+](C)CC2)CC[C@H]1O ZINC001207479968 968798385 /nfs/dbraw/zinc/79/83/85/968798385.db2.gz QVCTWIATSPIKSJ-TZMCWYRMSA-N 2 0 240.391 1.421 20 0 BDADRP C[N@H+](CCC1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC001207484890 968799123 /nfs/dbraw/zinc/79/91/23/968799123.db2.gz OJQKUWFOFAUHRE-ZDUSSCGKSA-N 2 0 226.364 1.439 20 0 BDADRP C[NH+]1CCC(CC[N@@H+]2CC[C@@H](O)[C@H](F)C2)CC1 ZINC001207480148 968799869 /nfs/dbraw/zinc/79/98/69/968799869.db2.gz UYLQMRXBAVHXRZ-CHWSQXEVSA-N 2 0 244.354 1.123 20 0 BDADRP C[C@H]1C[N@H+](CCC2CC[NH+](C)CC2)CC[C@@H]1O ZINC001207479966 968799951 /nfs/dbraw/zinc/79/99/51/968799951.db2.gz QVCTWIATSPIKSJ-JSGCOSHPSA-N 2 0 240.391 1.421 20 0 BDADRP C[NH+]1CCC(C)(C[NH+]2CCC(C)(O)CC2)CC1 ZINC001208106237 969001865 /nfs/dbraw/zinc/00/18/65/969001865.db2.gz DBTKMMGKUIXSPU-UHFFFAOYSA-N 2 0 240.391 1.565 20 0 BDADRP C[NH+]1CCC(C)(C[NH+]2CC3(C2)CCOC3)CC1 ZINC001208105567 969001974 /nfs/dbraw/zinc/00/19/74/969001974.db2.gz XQKJJIZHINVIQJ-UHFFFAOYSA-N 2 0 238.375 1.441 20 0 BDADRP C[NH+](C)CC1(C[N@@H+]2CC[C@](C)(O)C2)CCCC1 ZINC001208185004 969118403 /nfs/dbraw/zinc/11/84/03/969118403.db2.gz SPEYBBNIOAILOB-ZDUSSCGKSA-N 2 0 240.391 1.565 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CCC3(COC3)C2)CC1 ZINC001208592502 969148283 /nfs/dbraw/zinc/14/82/83/969148283.db2.gz JKVOWNWJMLIMHM-UHFFFAOYSA-N 2 0 238.375 1.441 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2C[C@H](C)[C@H](O)C2)CC1 ZINC001208592048 969148290 /nfs/dbraw/zinc/14/82/90/969148290.db2.gz BWHOJGQMMOXZBO-WCQYABFASA-N 2 0 226.364 1.031 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CCC23COC3)CC1 ZINC001208598593 969151746 /nfs/dbraw/zinc/15/17/46/969151746.db2.gz UDVXVUWZKSZINF-UHFFFAOYSA-N 2 0 224.348 1.193 20 0 BDADRP C[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C[C@H]1CC1(C)C ZINC001253394229 969154237 /nfs/dbraw/zinc/15/42/37/969154237.db2.gz IQNGFNMGDLIFNB-VXGBXAGGSA-N 2 0 242.407 1.713 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@H]2CCC[NH+](C)C2)CC[C@@H]1O ZINC001208609155 969167157 /nfs/dbraw/zinc/16/71/57/969167157.db2.gz YPAQAQFEDLWGQK-RDBSUJKOSA-N 2 0 240.391 1.421 20 0 BDADRP CN(c1cc(N)cc[nH+]1)C1=CC[N@H+](C)CC1 ZINC001208803653 969243860 /nfs/dbraw/zinc/24/38/60/969243860.db2.gz ZWKZIWDGKOPUHG-UHFFFAOYSA-N 2 0 218.304 1.319 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1C[C@](C)(O)C1)C2 ZINC001169097890 969389279 /nfs/dbraw/zinc/38/92/79/969389279.db2.gz DWJUISPRVOENSN-UMBVQODESA-N 2 0 224.348 1.115 20 0 BDADRP CCCC[NH+]1CCC([N@H+](C)CCOC)CC1 ZINC001209216040 969405698 /nfs/dbraw/zinc/40/56/98/969405698.db2.gz WHFBLHYHVXBFPJ-UHFFFAOYSA-N 2 0 228.380 1.829 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@H]1CC[N@@H+](C(C)C)C[C@@H]1C ZINC001253787588 969406791 /nfs/dbraw/zinc/40/67/91/969406791.db2.gz COSRKKKZPMFAHW-MELADBBJSA-N 2 0 242.407 1.712 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH+]2CC[C@](C)(CO)C2)CC1 ZINC001254515979 969692839 /nfs/dbraw/zinc/69/28/39/969692839.db2.gz IADOJILSEQSBCR-STQMWFEESA-N 2 0 226.364 1.175 20 0 BDADRP C[C@@H]1CC[C@@H](CO)C[N@@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254517079 969696494 /nfs/dbraw/zinc/69/64/94/969696494.db2.gz RXZHOUIGHSHCMG-MCIONIFRSA-N 2 0 240.391 1.564 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH+]2CC3(CCC3)C2)CC1 ZINC001254521286 969710476 /nfs/dbraw/zinc/71/04/76/969710476.db2.gz UUVOQKSLBYCTCS-GFCCVEGCSA-N 2 0 208.349 1.957 20 0 BDADRP CCC1(O)CC[NH+]([C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254525212 969717631 /nfs/dbraw/zinc/71/76/31/969717631.db2.gz HGYMFCHGBALRSC-CYBMUJFWSA-N 2 0 240.391 1.708 20 0 BDADRP C[NH+](C)C1(C)CN([C@H]2CCC[N@H+](C)CC2)C1 ZINC001254525416 969721155 /nfs/dbraw/zinc/72/11/55/969721155.db2.gz HZABREIDOADINJ-LBPRGKRZSA-N 2 0 225.380 1.107 20 0 BDADRP Cc1nc(C)c(C[N@@H+]2CCCC[C@H](C[NH3+])C2)o1 ZINC000723633721 969790852 /nfs/dbraw/zinc/79/08/52/969790852.db2.gz LIETZYLDHBHDNX-GFCCVEGCSA-N 2 0 237.347 1.852 20 0 BDADRP CC[NH+](CC)CCN(CC[NH3+])[C@@H]1CCSC1 ZINC001255270428 970023079 /nfs/dbraw/zinc/02/30/79/970023079.db2.gz DSUALUFQFBGHSJ-GFCCVEGCSA-N 2 0 245.436 1.094 20 0 BDADRP CCCN(CCC[NH+](C)C)[C@@H]1CC[N@H+](C)C1 ZINC001255440493 970171932 /nfs/dbraw/zinc/17/19/32/970171932.db2.gz DHWBTNVOBHMQOY-CYBMUJFWSA-N 2 0 227.396 1.354 20 0 BDADRP CCCc1cc(C[NH3+])nn1[C@H]1CCC[N@H+](C)C1 ZINC001255475532 970205593 /nfs/dbraw/zinc/20/55/93/970205593.db2.gz RFJKNZCAWIWEHZ-ZDUSSCGKSA-N 2 0 236.363 1.561 20 0 BDADRP CC[NH+](CC)[C@H]1CCN([C@H]2CCC[N@H+](C)C2)C1 ZINC001255489830 970243970 /nfs/dbraw/zinc/24/39/70/970243970.db2.gz QPPHAQBPCXCIOF-KBPBESRZSA-N 2 0 239.407 1.497 20 0 BDADRP CC(C)[N@H+](C)[C@@H]1CCN([C@@H]2CCC[NH+](C)C2)C1 ZINC001255493456 970251856 /nfs/dbraw/zinc/25/18/56/970251856.db2.gz YCUWBORMFFELLE-ZIAGYGMSSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H]1CC[C@H](N(CCC[NH3+])CCC[NH+](C)C)C1 ZINC001170109444 970311428 /nfs/dbraw/zinc/31/14/28/970311428.db2.gz PVWNXMCIDMNFBB-KGLIPLIRSA-N 2 0 241.423 1.778 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]C(C)(C)CCO ZINC001255942202 970574412 /nfs/dbraw/zinc/57/44/12/970574412.db2.gz CPOWWJKZROEOPB-LBPRGKRZSA-N 2 0 230.396 1.857 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)n1ccnc1CC[NH3+] ZINC001255942084 970579221 /nfs/dbraw/zinc/57/92/21/970579221.db2.gz DERXQDYCRAVERT-GFCCVEGCSA-N 2 0 238.379 1.677 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]CCn1cccn1 ZINC001255944358 970579296 /nfs/dbraw/zinc/57/92/96/970579296.db2.gz UYZVEOJLTQVYCG-CYBMUJFWSA-N 2 0 238.379 1.593 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)n1c(C)nnc1C[NH3+] ZINC001255954486 970585885 /nfs/dbraw/zinc/58/58/85/970585885.db2.gz FLOUQZFUAMHOTH-SNVBAGLBSA-N 2 0 239.367 1.338 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@H](O)C[C@@H]1C ZINC001255963140 970604071 /nfs/dbraw/zinc/60/40/71/970604071.db2.gz CYWHUIOAVODXEB-IHRRRGAJSA-N 2 0 242.407 1.952 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N1CC[N@@H+]2CC[C@H]2C1 ZINC001255969188 970607984 /nfs/dbraw/zinc/60/79/84/970607984.db2.gz VADOQSIBELEFPO-KBPBESRZSA-N 2 0 239.407 1.497 20 0 BDADRP COC[C@H]1CCC[N@@H+]1C1CCN(C2CC2)CC1 ZINC001256072317 970635539 /nfs/dbraw/zinc/63/55/39/970635539.db2.gz BIJKLQINPWLXBV-CQSZACIVSA-N 2 0 238.375 1.724 20 0 BDADRP COC(C)(C)[C@@H]1CCC[N@@H+]1C1CCN(C)CC1 ZINC001256207197 970713029 /nfs/dbraw/zinc/71/30/29/970713029.db2.gz BSLLPPLOJSMBKL-ZDUSSCGKSA-N 2 0 240.391 1.970 20 0 BDADRP CC(C)C[N@H+](C)CCC[NH2+]C[C@@H](O)C1CC1 ZINC001336800188 977969280 /nfs/dbraw/zinc/96/92/80/977969280.db2.gz PRJIBWIZGQAPML-CYBMUJFWSA-N 2 0 228.380 1.325 20 0 BDADRP CC[C@H]1C[N@H+](CC2CC[NH+](CC)CC2)CCO1 ZINC001180540396 978900999 /nfs/dbraw/zinc/90/09/99/978900999.db2.gz LFELQMCWBKHURE-AWEZNQCLSA-N 2 0 240.391 1.829 20 0 BDADRP CC[NH2+]CCN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235429514 979043102 /nfs/dbraw/zinc/04/31/02/979043102.db2.gz YVUUKJZTYFOUQF-KGLIPLIRSA-N 2 0 239.407 1.308 20 0 BDADRP [NH3+]C[C@@H]1CCCN1CCC[NH2+]C1CCCCC1 ZINC001235724137 979133044 /nfs/dbraw/zinc/13/30/44/979133044.db2.gz DEXDWMLCSGDYKB-AWEZNQCLSA-N 2 0 239.407 1.722 20 0 BDADRP C[C@@H]1CC[C@H]([NH3+])CN1CC1(C)CC[NH2+]CC1 ZINC001235892423 979182782 /nfs/dbraw/zinc/18/27/82/979182782.db2.gz QJNHDAAQBZEBCT-NEPJUHHUSA-N 2 0 225.380 1.188 20 0 BDADRP CC/C=C\CC[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235995542 979283447 /nfs/dbraw/zinc/28/34/47/979283447.db2.gz ZERCQUNIFMBKKJ-OCWAKSMGSA-N 2 0 224.348 1.248 20 0 BDADRP [NH3+]C[C@H]1CCCN1C[C@@H]([NH3+])c1ccccc1 ZINC001236242956 979463551 /nfs/dbraw/zinc/46/35/51/979463551.db2.gz PLTUUPIWJFHSOG-CHWSQXEVSA-N 2 0 219.332 1.110 20 0 BDADRP [NH3+][C@H]1CC[C@H]([N@H+](CCO)CC2CCC2)CC1 ZINC001236541950 979627692 /nfs/dbraw/zinc/62/76/92/979627692.db2.gz QPAPFWZNDUEQSG-JOCQHMNTSA-N 2 0 226.364 1.351 20 0 BDADRP [NH3+]C[C@@]1(F)CCC[N@H+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC001205537916 980906750 /nfs/dbraw/zinc/90/67/50/980906750.db2.gz KPNXBFXHZOUXLF-CHWSQXEVSA-N 3 0 243.370 1.139 20 0 BDADRP CC[N@@H+]1CCC[C@H](CN[C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC001348840503 981453695 /nfs/dbraw/zinc/45/36/95/981453695.db2.gz MJNOLYYOUXIHJZ-MJBXVCDLSA-N 2 0 239.407 1.306 20 0 BDADRP C[NH2+]Cc1ccc(C2=CCC[NH2+]C2)cc1 ZINC001240670492 981579618 /nfs/dbraw/zinc/57/96/18/981579618.db2.gz JFSDUCONFIIKBG-UHFFFAOYSA-N 2 0 202.301 1.783 20 0 BDADRP CC[C@@H](C)C[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001201499647 983267250 /nfs/dbraw/zinc/26/72/50/983267250.db2.gz NRGGXVSUJUALCM-CYBMUJFWSA-N 2 0 227.396 1.212 20 0 BDADRP COC/C(C)=C\C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC001354710017 983347533 /nfs/dbraw/zinc/34/75/33/983347533.db2.gz OAHHNEVWTDASEU-LVOZBFFPSA-N 2 0 240.391 1.995 20 0 BDADRP CC[C@@H](CC(C)C)[NH2+]CCN1CC[NH+](C)CC1 ZINC001172382333 974723536 /nfs/dbraw/zinc/72/35/36/974723536.db2.gz DMLXRLGYQBXZGF-AWEZNQCLSA-N 2 0 241.423 1.648 20 0 BDADRP CC[C@H](CC(C)C)[NH+]1CCN(CCC[NH3+])CC1 ZINC001172396765 974751858 /nfs/dbraw/zinc/75/18/58/974751858.db2.gz XRLZPXHXVSCRPP-CQSZACIVSA-N 2 0 241.423 1.778 20 0 BDADRP CC(C)COCC[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C)C1 ZINC001172457523 974821184 /nfs/dbraw/zinc/82/11/84/974821184.db2.gz PRNJHWHIUASIQL-ZIAGYGMSSA-N 2 0 242.407 1.979 20 0 BDADRP CC(C)COCC[C@H](C)[NH2+]C1CC([NH3+])C1 ZINC001172465527 974828089 /nfs/dbraw/zinc/82/80/89/974828089.db2.gz WFIVXFRHUXTAPL-UNXYVOJBSA-N 2 0 214.353 1.517 20 0 BDADRP [NH3+]C[C@H]1C[N@@H+]([C@H]2CCCOCC2)CCC1(F)F ZINC001246553709 972745012 /nfs/dbraw/zinc/74/50/12/972745012.db2.gz BXTBTPLJROKTBQ-QWRGUYRKSA-N 2 0 248.317 1.471 20 0 BDADRP C[NH2+]C1CCC([N@@H+]2C[C@@H](C)CC[C@H]2CN)CC1 ZINC001246561383 972793461 /nfs/dbraw/zinc/79/34/61/972793461.db2.gz WWYHEWPTJCMDFQ-ABXWRUBCSA-N 2 0 239.407 1.576 20 0 BDADRP CSC(C)(C)C[C@@H](C)[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246585737 972962467 /nfs/dbraw/zinc/96/24/67/972962467.db2.gz QFNCUKLFWVLWIJ-VWYCJHECSA-N 2 0 246.420 1.158 20 0 BDADRP C[C@@H]1CN([C@H]2CC[NH2+][C@H](C(C)(C)C)C2)C[C@@H]1[NH3+] ZINC001246883543 973324199 /nfs/dbraw/zinc/32/41/99/973324199.db2.gz VXJWDGXXFKZOFJ-VOAKCMCISA-N 2 0 239.407 1.432 20 0 BDADRP C[NH+](C)[C@H]1CCCC[C@@H]1Nc1cccc(N)[nH+]1 ZINC001157795909 970811744 /nfs/dbraw/zinc/81/17/44/970811744.db2.gz XJYAIBYFBWBPIS-QWRGUYRKSA-N 2 0 234.347 1.949 20 0 BDADRP C[C@H]([NH3+])c1ccn(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC001256615499 970879674 /nfs/dbraw/zinc/87/96/74/970879674.db2.gz KNUCYECRLRXNEO-WSMDXJOWSA-N 2 0 234.347 1.701 20 0 BDADRP [NH3+]CC1(F)CC[NH+](Cc2cccc(=O)[nH]2)CC1 ZINC001222533359 972533627 /nfs/dbraw/zinc/53/36/27/972533627.db2.gz VHPRPZUOVSARNK-UHFFFAOYSA-N 2 0 239.294 1.050 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1CC(N1CCC[NH+](C)CC1)C2 ZINC001256621621 970886655 /nfs/dbraw/zinc/88/66/55/970886655.db2.gz YMMGWKLXAQZHFA-PBWFPOADSA-N 2 0 237.391 1.249 20 0 BDADRP CN(CC[NH+](C)C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256620783 970887126 /nfs/dbraw/zinc/88/71/26/970887126.db2.gz CVESVPBXYDGXGN-FUNVUKJBSA-N 2 0 225.380 1.105 20 0 BDADRP CO[C@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001256623345 970888613 /nfs/dbraw/zinc/88/86/13/970888613.db2.gz OHWXEICBXIAGAY-HNGCFSAESA-N 2 0 224.348 1.332 20 0 BDADRP CO[C@H](C)C1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001256629708 970893266 /nfs/dbraw/zinc/89/32/66/970893266.db2.gz QDGFDLRHOJEFRJ-BKQLOGFTSA-N 2 0 238.375 1.578 20 0 BDADRP CC[N@@H+]1C[C@@H]2C[C@H]1CN2C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256630188 970893657 /nfs/dbraw/zinc/89/36/57/970893657.db2.gz OMHKKHCJGWUWSU-AWQNUYMJSA-N 2 0 249.402 1.390 20 0 BDADRP C[C@H]1C[C@@H]1[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256677127 970917909 /nfs/dbraw/zinc/91/79/09/970917909.db2.gz KZFOJNQJMCXAEM-ABXWRUBCSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@@H](Cc1ccncc1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC001256721957 970943091 /nfs/dbraw/zinc/94/30/91/970943091.db2.gz ZQJIXJNSUIDKGB-ZFWWWQNUSA-N 2 0 247.386 1.944 20 0 BDADRP [NH3+]Cc1cnnn1[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256901226 971014011 /nfs/dbraw/zinc/01/40/11/971014011.db2.gz FJFDAXLIMHFCHZ-LBPRGKRZSA-N 2 0 249.362 1.316 20 0 BDADRP [NH3+]CC1(N[C@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256908380 971018771 /nfs/dbraw/zinc/01/87/71/971018771.db2.gz KJBCDSFHWUWVRX-LBPRGKRZSA-N 2 0 237.391 1.474 20 0 BDADRP C[C@H]1CC(NC(=[NH2+])SCC[NH3+])C[C@H](C)O1 ZINC001257074673 971090319 /nfs/dbraw/zinc/09/03/19/971090319.db2.gz SDWPCWVASQGCIA-YUMQZZPRSA-N 2 0 231.365 1.159 20 0 BDADRP C[C@@H](C[NH3+])C[N@H+](C)[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001257082544 971091885 /nfs/dbraw/zinc/09/18/85/971091885.db2.gz AAWGQDFKYQIHKP-YFKTTZPYSA-N 2 0 214.353 1.469 20 0 BDADRP CC(C)[NH+]1CCC(n2cccc2C[NH3+])CC1 ZINC001257205024 971122510 /nfs/dbraw/zinc/12/25/10/971122510.db2.gz FPEJYAIGTFJEAO-UHFFFAOYSA-N 2 0 221.348 1.992 20 0 BDADRP CC(C)[NH+]1CCC(N(C)C2(C)COC2)CC1 ZINC001257217500 971131206 /nfs/dbraw/zinc/13/12/06/971131206.db2.gz NNPFNNSDZQBZIC-UHFFFAOYSA-N 2 0 226.364 1.580 20 0 BDADRP Cc1cccnc1N[C@H](C)[C@@H]1C[NH2+]CCO1 ZINC001170558864 971172777 /nfs/dbraw/zinc/17/27/77/971172777.db2.gz SCCZXFQYSGETII-MNOVXSKESA-N 2 0 221.304 1.179 20 0 BDADRP CCC[C@H](C)[NH2+]C[C@H]1O[C@H](C(C)C)O[C@@H]1C[NH3+] ZINC001257309767 971202831 /nfs/dbraw/zinc/20/28/31/971202831.db2.gz YBDBSIDUEBYQRS-UMSGYPCISA-N 2 0 244.379 1.489 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405213353 971208785 /nfs/dbraw/zinc/20/87/85/971208785.db2.gz IXCQRJAPZNUZLH-IJLUTSLNSA-N 2 0 226.364 1.397 20 0 BDADRP CC[NH+](CC)C[C@H](C)OC[C@@H]1CCC[N@@H+]1C ZINC001224818311 974000445 /nfs/dbraw/zinc/00/04/45/974000445.db2.gz JMFZHEQROBVAJK-STQMWFEESA-N 2 0 228.380 1.828 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)C(C)C ZINC000405214801 971209636 /nfs/dbraw/zinc/20/96/36/971209636.db2.gz JPKWJFKNCINXJB-IJLUTSLNSA-N 2 0 226.364 1.517 20 0 BDADRP C[C@H](O)CCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405207746 971210452 /nfs/dbraw/zinc/21/04/52/971210452.db2.gz BCXHNCQPKZXRJR-DCAQKATOSA-N 2 0 212.337 1.007 20 0 BDADRP Cc1nccn1CC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405241011 971221456 /nfs/dbraw/zinc/22/14/56/971221456.db2.gz BBKWPHORIJYHHH-VXGBXAGGSA-N 2 0 234.347 1.051 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2ccco2)C12CCC2 ZINC000405259762 971222629 /nfs/dbraw/zinc/22/26/29/971222629.db2.gz IIIFNZMLTFNVLP-NEPJUHHUSA-N 2 0 220.316 1.682 20 0 BDADRP CCOCCCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405289342 971224463 /nfs/dbraw/zinc/22/44/63/971224463.db2.gz XCUQRYGQTPIOIO-NEPJUHHUSA-N 2 0 226.364 1.663 20 0 BDADRP CC(C)(CO)CC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405266290 971228922 /nfs/dbraw/zinc/22/89/22/971228922.db2.gz PPZMWKXMKVXLLE-GHMZBOCLSA-N 2 0 226.364 1.255 20 0 BDADRP CCSCCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405295542 971229876 /nfs/dbraw/zinc/22/98/76/971229876.db2.gz GLHHJNDFICVAED-QWRGUYRKSA-N 2 0 228.405 1.989 20 0 BDADRP CSC(C)(C)C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405312617 971231954 /nfs/dbraw/zinc/23/19/54/971231954.db2.gz PNXGGTZRSVCBND-VHSXEESVSA-N 2 0 228.405 1.988 20 0 BDADRP C[C@H](Cn1ccnc1)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405294387 971232195 /nfs/dbraw/zinc/23/21/95/971232195.db2.gz FMYREWQOKAEESN-WOPDTQHZSA-N 2 0 234.347 1.131 20 0 BDADRP CC(C)(O)C(C)(C)C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405317754 971232983 /nfs/dbraw/zinc/23/29/83/971232983.db2.gz PZEXFRRXGUCRDP-WDEREUQCSA-N 2 0 240.391 1.643 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]CCCn2ccnc2)C12CCC2 ZINC000405303893 971233307 /nfs/dbraw/zinc/23/33/07/971233307.db2.gz JWTLNODCBBBKJC-NWDGAFQWSA-N 2 0 234.347 1.133 20 0 BDADRP CCOCC(C)(C)C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405333121 971235181 /nfs/dbraw/zinc/23/51/81/971235181.db2.gz FDGDFVDSXAWGGK-NWDGAFQWSA-N 2 0 240.391 1.909 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]CCCOCC2CC2)C12CCC2 ZINC000405358922 971244340 /nfs/dbraw/zinc/24/43/40/971244340.db2.gz SPIKCJCJDARERQ-STQMWFEESA-N 2 0 238.375 1.663 20 0 BDADRP CC(C)(CCO)C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405385066 971246663 /nfs/dbraw/zinc/24/66/63/971246663.db2.gz DWSUXMSBXFQULV-QWRGUYRKSA-N 2 0 226.364 1.255 20 0 BDADRP C[C@H](CC(C)(C)O)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405393504 971248179 /nfs/dbraw/zinc/24/81/79/971248179.db2.gz HNPWSCLJDLJURB-OUAUKWLOSA-N 2 0 226.364 1.395 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405372270 971248766 /nfs/dbraw/zinc/24/87/66/971248766.db2.gz ZKDXYHSDCMIUEK-YNEHKIRRSA-N 2 0 239.407 1.576 20 0 BDADRP CC(C)(CCO)C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405385064 971250336 /nfs/dbraw/zinc/25/03/36/971250336.db2.gz DWSUXMSBXFQULV-MNOVXSKESA-N 2 0 226.364 1.255 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCOCC2CC2)C12CCC2 ZINC000405432337 971255564 /nfs/dbraw/zinc/25/55/64/971255564.db2.gz SOYUJDONZMIRQW-VXGBXAGGSA-N 2 0 224.348 1.273 20 0 BDADRP COC[C@H]([NH2+][C@H]1C[C@H]([NH3+])C12CCC2)C(C)C ZINC000405444212 971260801 /nfs/dbraw/zinc/26/08/01/971260801.db2.gz WDSVYIBCCRMXOU-SRVKXCTJSA-N 2 0 226.364 1.517 20 0 BDADRP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405454898 971261502 /nfs/dbraw/zinc/26/15/02/971261502.db2.gz YMJKPKRIMJLVJM-UKKRHICBSA-N 2 0 224.348 1.005 20 0 BDADRP C[C@@H]1[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)CO[C@H]1C ZINC000405534845 971269645 /nfs/dbraw/zinc/26/96/45/971269645.db2.gz AVJHEEIVDWFBNR-CYDGBPFRSA-N 2 0 226.364 1.341 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H]1OCCCCC1CC[NH2+]CC1 ZINC001217769219 971392696 /nfs/dbraw/zinc/39/26/96/971392696.db2.gz NXGTYZNWZLIXFG-OCCSQVGLSA-N 2 0 240.391 1.781 20 0 BDADRP C[NH2+][C@H]1C[C@@H](OCCCCCCC[NH3+])C1 ZINC001217767343 971392818 /nfs/dbraw/zinc/39/28/18/971392818.db2.gz QKFAEDKEFVJQBI-TXEJJXNPSA-N 2 0 214.353 1.663 20 0 BDADRP C(CO[C@@H]1CCC[NH2+]C1)C[C@@H]1CCC[NH2+]C1 ZINC001217768488 971393872 /nfs/dbraw/zinc/39/38/72/971393872.db2.gz NBNOEMUAMFAWAC-QWHCGFSZSA-N 2 0 226.364 1.535 20 0 BDADRP C(CO[C@@H]1CCCC[NH2+]C1)C[C@@H]1CCC[NH2+]C1 ZINC001217774072 971396972 /nfs/dbraw/zinc/39/69/72/971396972.db2.gz SYGPWRMENCQRKV-UONOGXRCSA-N 2 0 240.391 1.925 20 0 BDADRP C[C@H](OC[C@@H]1COC(C)(C)[NH2+]1)C1CC[NH2+]CC1 ZINC001217777522 971401280 /nfs/dbraw/zinc/40/12/80/971401280.db2.gz LMSQZBUYLOEAQV-CMPLNLGQSA-N 2 0 242.363 1.116 20 0 BDADRP C[C@@H]1C[C@@H](OCCCCC2CC[NH2+]CC2)C[NH2+]1 ZINC001217785562 971405666 /nfs/dbraw/zinc/40/56/66/971405666.db2.gz MVESNRRQSQBIAZ-TZMCWYRMSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]1C[C@H](OCCCC2CC[NH2+]CC2)CC[NH2+]1 ZINC001217788451 971406882 /nfs/dbraw/zinc/40/68/82/971406882.db2.gz DCIWAYQCXFDPCZ-TZMCWYRMSA-N 2 0 240.391 1.923 20 0 BDADRP CC(C)[C@H]([NH3+])CO[C@@H]1CCC[C@@]12CC[NH2+]C2 ZINC001217798503 971411749 /nfs/dbraw/zinc/41/17/49/971411749.db2.gz BJRPAMLIYWSWBF-UPJWGTAASA-N 2 0 226.364 1.519 20 0 BDADRP CC(C)(C[NH3+])CO[C@@H]1CCC[C@@]12CC[NH2+]C2 ZINC001217799123 971412172 /nfs/dbraw/zinc/41/21/72/971412172.db2.gz CZMPWAFLHIHCGX-YPMHNXCESA-N 2 0 226.364 1.520 20 0 BDADRP C(OC1[C@@H]2CCC[C@H]1C[NH2+]C2)C1CC[NH2+]CC1 ZINC001217809122 971413147 /nfs/dbraw/zinc/41/31/47/971413147.db2.gz AQRCCFQKRSDDNY-PBWFPOADSA-N 2 0 238.375 1.391 20 0 BDADRP C[NH+](C)CCCCOC1CC[NH+](CCF)CC1 ZINC001224992345 974124019 /nfs/dbraw/zinc/12/40/19/974124019.db2.gz LTWSOZAKYDIEMT-UHFFFAOYSA-N 2 0 246.370 1.779 20 0 BDADRP C[N@@H+]1CCC[C@H](OC[C@@H]2CCC[NH2+]C2)C1 ZINC001217829034 971423218 /nfs/dbraw/zinc/42/32/18/971423218.db2.gz DUVFLWFYKBGLAY-NEPJUHHUSA-N 2 0 212.337 1.097 20 0 BDADRP C[N@@H+]1CCC[C@@H](OC[C@@H]2CCC[NH2+]C2)CC1 ZINC001217832298 971427187 /nfs/dbraw/zinc/42/71/87/971427187.db2.gz NYUGRSFTLOCVEU-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP C(O[C@@H]1CCC2(C[NH2+]C2)C1)[C@@H]1CCC[NH2+]C1 ZINC001217845698 971441703 /nfs/dbraw/zinc/44/17/03/971441703.db2.gz BWFOEJSFEMCQKN-VXGBXAGGSA-N 2 0 224.348 1.145 20 0 BDADRP C(OC1CC2(C1)CCC[NH2+]C2)[C@@H]1CCC[NH2+]C1 ZINC001217849513 971443047 /nfs/dbraw/zinc/44/30/47/971443047.db2.gz VMBKEWVCQUXQGF-IYXRBSQSSA-N 2 0 238.375 1.535 20 0 BDADRP [NH3+]Cc1cccc(CO[C@@H]2CCC[NH2+]C2)c1 ZINC001217861255 971455964 /nfs/dbraw/zinc/45/59/64/971455964.db2.gz ZWDATSVAKRLRIO-CYBMUJFWSA-N 2 0 220.316 1.414 20 0 BDADRP C[NH+]1CCC2(C[NH+]([C@H]3CCCSC3)C2)CC1 ZINC001257680094 971487645 /nfs/dbraw/zinc/48/76/45/971487645.db2.gz IADXLXYXLAFQOH-LBPRGKRZSA-N 2 0 240.416 1.910 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@H]1OCCC[C@@H]1CCC[NH2+]C1 ZINC001217916856 971514311 /nfs/dbraw/zinc/51/43/11/971514311.db2.gz MWRTXCWWHSPMFG-HZSPNIEDSA-N 2 0 240.391 1.781 20 0 BDADRP C(CC1CC[NH2+]CC1)O[C@@H]1C[NH2+]CCC12CC2 ZINC001217914246 971515259 /nfs/dbraw/zinc/51/52/59/971515259.db2.gz RTFOQCIAAOCZSG-CYBMUJFWSA-N 2 0 238.375 1.535 20 0 BDADRP CC1(CO[C@H]2C[NH2+]CCC23CC3)CC[NH2+]CC1 ZINC001217913382 971515859 /nfs/dbraw/zinc/51/58/59/971515859.db2.gz LZPJADAAGJUACS-LBPRGKRZSA-N 2 0 238.375 1.535 20 0 BDADRP C(C[C@H]1CCC[NH2+]C1)O[C@H]1[C@@H]2CC[C@H]1[NH2+]C2 ZINC001217925726 971528399 /nfs/dbraw/zinc/52/83/99/971528399.db2.gz VGVUADLVBATFKZ-LPWJVIDDSA-N 2 0 224.348 1.143 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]C2CCC3(COC3)CC2)C1 ZINC001257900981 971534205 /nfs/dbraw/zinc/53/42/05/971534205.db2.gz SJFKXMCGPBFLLH-AAEUAGOBSA-N 2 0 238.375 1.805 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1OCc1cccc(C[NH3+])c1 ZINC001217938316 971539679 /nfs/dbraw/zinc/53/96/79/971539679.db2.gz BSPUPDDZCOSJIU-RISCZKNCSA-N 2 0 234.343 1.660 20 0 BDADRP C[NH2+][C@H]1C[C@@H](Oc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C1 ZINC001217957088 971545748 /nfs/dbraw/zinc/54/57/48/971545748.db2.gz RIWZDMNGNKTDSP-AHLTXXRQSA-N 2 0 232.327 1.630 20 0 BDADRP C[C@H]([NH3+])c1ccc(O[C@H]2C[NH2+]CC[C@@H]2F)cc1 ZINC001217959843 971548126 /nfs/dbraw/zinc/54/81/26/971548126.db2.gz HXZROHDBFXJGND-XDTLVQLUSA-N 2 0 238.306 1.785 20 0 BDADRP [NH3+]CCc1ccc(O[C@H]2C[NH2+]CC[C@@H]2F)cc1 ZINC001217962346 971548705 /nfs/dbraw/zinc/54/87/05/971548705.db2.gz ZXXWKECARSKHLG-STQMWFEESA-N 2 0 238.306 1.267 20 0 BDADRP CC(C)C[NH+]1CCC(N(C)C(C)(C)C[NH3+])CC1 ZINC001258007006 971551077 /nfs/dbraw/zinc/55/10/77/971551077.db2.gz OZBNYFZMWDPPNJ-UHFFFAOYSA-N 2 0 241.423 1.776 20 0 BDADRP CCC[C@@H](CO)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC001258003595 971554491 /nfs/dbraw/zinc/55/44/91/971554491.db2.gz MORXWGNZNVQOSU-AWEZNQCLSA-N 2 0 242.407 1.857 20 0 BDADRP [NH3+]Cc1ccc(O[C@H]2C[NH2+]CCC[C@@H]2F)cc1 ZINC001217985754 971561071 /nfs/dbraw/zinc/56/10/71/971561071.db2.gz RHASASKCCUPDPX-STQMWFEESA-N 2 0 238.306 1.614 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1Oc1ccccc1C[NH3+] ZINC001218028287 971575950 /nfs/dbraw/zinc/57/59/50/971575950.db2.gz FBEBCSKZFZFHRM-WCQYABFASA-N 2 0 234.343 1.912 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1Oc1ccc(C[NH3+])cc1 ZINC001218032195 971577137 /nfs/dbraw/zinc/57/71/37/971577137.db2.gz XSTZKEXLIJHEIN-BXUZGUMPSA-N 2 0 234.343 1.912 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1Oc1ccccc1C[NH3+] ZINC001218028285 971578590 /nfs/dbraw/zinc/57/85/90/971578590.db2.gz FBEBCSKZFZFHRM-AAEUAGOBSA-N 2 0 234.343 1.912 20 0 BDADRP Cc1c(O[C@@H]2C[NH2+]C[C@H]2C)ccc2c1CC[NH2+]C2 ZINC001218034815 971582569 /nfs/dbraw/zinc/58/25/69/971582569.db2.gz DJZFKPOXWRVADJ-MEBBXXQBSA-N 2 0 246.354 1.627 20 0 BDADRP C[C@@H]([NH3+])c1ccc(O[C@H]2C[NH2+][C@H](C)C2)cc1 ZINC001218042638 971584699 /nfs/dbraw/zinc/58/46/99/971584699.db2.gz RZIMUUUWTIZMJR-GIPNMCIBSA-N 2 0 220.316 1.836 20 0 BDADRP C[C@@H]1C[C@H](Oc2cccc3c2CC[NH2+]C3)C[NH2+]1 ZINC001218046353 971588487 /nfs/dbraw/zinc/58/84/87/971588487.db2.gz WAAPPVOYDIBWOA-PWSUYJOCSA-N 2 0 232.327 1.462 20 0 BDADRP [NH3+]Cc1cccc(O[C@@H]2CCOC3(C[NH2+]C3)C2)c1 ZINC001218089328 971597105 /nfs/dbraw/zinc/59/71/05/971597105.db2.gz UAVIHWXSMOUWHU-CYBMUJFWSA-N 2 0 248.326 1.045 20 0 BDADRP [NH3+][C@@H]1C[C@H]1c1ccc(O[C@H]2CCC23C[NH2+]C3)cc1 ZINC001218245350 971651211 /nfs/dbraw/zinc/65/12/11/971651211.db2.gz ZRMBEMSTAJFYGQ-MJBXVCDLSA-N 2 0 244.338 1.632 20 0 BDADRP C[C@H](C[NH+](C)C)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172103668 974367736 /nfs/dbraw/zinc/36/77/36/974367736.db2.gz WKQZYDKUPPMYIT-YIYPIFLZSA-N 2 0 239.407 1.541 20 0 BDADRP CCc1cc(CN2CC[C@@H]([NH3+])[C@@H](F)CC2)on1 ZINC001206157186 974375358 /nfs/dbraw/zinc/37/53/58/974375358.db2.gz XEAPEHJLEURPHO-NWDGAFQWSA-N 2 0 241.310 1.498 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]1Oc1ccccc1C[NH3+] ZINC001218316904 971702318 /nfs/dbraw/zinc/70/23/18/971702318.db2.gz ZNHXPADUMWKPJD-CYBMUJFWSA-N 2 0 234.343 1.912 20 0 BDADRP C[C@@H]1CC[C@H](Oc2cccc(C[NH3+])c2)C[NH2+]1 ZINC001218398164 971776072 /nfs/dbraw/zinc/77/60/72/971776072.db2.gz JCSHUPAMLKLVKJ-MFKMUULPSA-N 2 0 220.316 1.665 20 0 BDADRP C[C@H]1CC[C@H](Oc2cccc(C[NH3+])c2)C[NH2+]1 ZINC001218398162 971777332 /nfs/dbraw/zinc/77/73/32/971777332.db2.gz JCSHUPAMLKLVKJ-GWCFXTLKSA-N 2 0 220.316 1.665 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@H]1Oc1ccc2c(n1)CC[NH2+]C2 ZINC001218417350 971791061 /nfs/dbraw/zinc/79/10/61/971791061.db2.gz VWESSCVUBNLVNB-ZWNOBZJWSA-N 2 0 247.342 1.104 20 0 BDADRP CC(C)[N@H+](CCC[NH3+])[C@@H]1COC(C)(C)C1 ZINC001172271415 974485871 /nfs/dbraw/zinc/48/58/71/974485871.db2.gz VDPRTYQLHGCYEY-NSHDSACASA-N 2 0 214.353 1.613 20 0 BDADRP C([NH2+][C@@H]1CCCOCC1)C12CC[NH+](CC1)CC2 ZINC001170787982 971823986 /nfs/dbraw/zinc/82/39/86/971823986.db2.gz NQMNXSRJKTVHHB-CYBMUJFWSA-N 2 0 238.375 1.631 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1Oc1cccc2c1CC[NH2+]C2 ZINC001218480589 971829148 /nfs/dbraw/zinc/82/91/48/971829148.db2.gz FARFFURSWQKQAU-ABAIWWIYSA-N 2 0 246.354 1.709 20 0 BDADRP [NH3+]Cc1ccc(O[C@@H]2CC[C@H]3C[NH2+]C[C@@H]32)cc1 ZINC001218469841 971826345 /nfs/dbraw/zinc/82/63/45/971826345.db2.gz YJFYWTZNHAGPGA-FPMFFAJLSA-N 2 0 232.327 1.522 20 0 BDADRP [NH3+][C@@H]1C[C@H]1c1ccc(O[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1 ZINC001218479605 971828455 /nfs/dbraw/zinc/82/84/55/971828455.db2.gz OQZVDNUGPURQKD-VNUKXSOBSA-N 2 0 244.338 1.773 20 0 BDADRP c1cc2c(cc1O[C@@H]1C[C@@H]3CC[C@H]1[NH2+]3)CC[NH2+]C2 ZINC001218473758 971828891 /nfs/dbraw/zinc/82/88/91/971828891.db2.gz CJYHKYMGJNNRFC-NWANDNLSSA-N 2 0 244.338 1.604 20 0 BDADRP CC1(C)CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000309983781 971907746 /nfs/dbraw/zinc/90/77/46/971907746.db2.gz QOFVPTRXEPBLSC-CYBMUJFWSA-N 2 0 240.391 1.565 20 0 BDADRP C[C@]1(C(=O)Nc2cccc3c2C[NH2+]C3)CC[NH2+]C1 ZINC001218992757 971972332 /nfs/dbraw/zinc/97/23/32/971972332.db2.gz DUQIDMUODBXDDE-AWEZNQCLSA-N 2 0 245.326 1.228 20 0 BDADRP CC[C@@]([NH3+])(CO)Nc1ccc([C@H](C)[NH3+])cc1 ZINC001170864795 971991816 /nfs/dbraw/zinc/99/18/16/971991816.db2.gz WXUTVMUZQYKOOF-CABZTGNLSA-N 2 0 223.320 1.176 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)[C@]23CC[C@H]2C[NH2+]C3)cc1 ZINC001219345402 972002064 /nfs/dbraw/zinc/00/20/64/972002064.db2.gz MMDMAGNQCILLGL-FZMZJTMJSA-N 2 0 245.326 1.083 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)[C@@H]2CC3(CC3)C[NH2+]2)cc1 ZINC001219347084 972007420 /nfs/dbraw/zinc/00/74/20/972007420.db2.gz GJYMJYQTYULPHA-LBPRGKRZSA-N 2 0 245.326 1.226 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)[C@H]2[NH2+][C@H]3CC[C@@H]2C3)cc1 ZINC001219346983 972008016 /nfs/dbraw/zinc/00/80/16/972008016.db2.gz ASZWWSHVXIURJU-WXHSDQCUSA-N 2 0 245.326 1.224 20 0 BDADRP CC[C@@H](C)OCC[C@H](C)[NH2+]CCSCC[NH3+] ZINC001172344333 974612369 /nfs/dbraw/zinc/61/23/69/974612369.db2.gz UGUQQGLHWOXRDD-NWDGAFQWSA-N 2 0 248.436 1.862 20 0 BDADRP CC[NH+](CC)CCNC(=O)[C@](C)([NH3+])CC(C)C ZINC001219555491 972023524 /nfs/dbraw/zinc/02/35/24/972023524.db2.gz BOLVOVDZGVWLME-CYBMUJFWSA-N 2 0 243.395 1.208 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001219585201 972038719 /nfs/dbraw/zinc/03/87/19/972038719.db2.gz ZJCXSZJWXXYHBF-SRVKXCTJSA-N 2 0 241.379 1.007 20 0 BDADRP C[C@@H]([NH3+])CCNc1ccc(C[NH+](C)C)cn1 ZINC001170888771 972043948 /nfs/dbraw/zinc/04/39/48/972043948.db2.gz CPKJTTRLRCQGMH-SNVBAGLBSA-N 2 0 222.336 1.292 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc2ncsc2n1 ZINC001170895890 972048094 /nfs/dbraw/zinc/04/80/94/972048094.db2.gz ADXOFIGOTWZHQZ-QMMMGPOBSA-N 2 0 237.332 1.127 20 0 BDADRP Cc1cc2nc(N[C@H]([NH3+])CCC[NH3+])ccc2[nH]1 ZINC001170897681 972055823 /nfs/dbraw/zinc/05/58/23/972055823.db2.gz ITHHZMGXSAVFEG-NSHDSACASA-N 2 0 233.319 1.307 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ncccc1C(F)F ZINC001170898502 972052877 /nfs/dbraw/zinc/05/28/77/972052877.db2.gz ONQDHSOILKKFEO-MRVPVSSYSA-N 2 0 230.262 1.455 20 0 BDADRP Cc1c(F)c(F)cc(N[C@@H]([NH3+])CCC[NH3+])c1F ZINC001170899445 972057918 /nfs/dbraw/zinc/05/79/18/972057918.db2.gz CDKMZAOLFSUTEL-SECBINFHSA-N 2 0 247.264 1.848 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc2ccncc2c1 ZINC001170899243 972058084 /nfs/dbraw/zinc/05/80/84/972058084.db2.gz IUOFWQXFXIQGEW-ZDUSSCGKSA-N 2 0 230.315 1.670 20 0 BDADRP CCc1cccnc1N[C@H]([NH3+])CCC[NH3+] ZINC001170898833 972058439 /nfs/dbraw/zinc/05/84/39/972058439.db2.gz PXDRLPOEJFUASJ-JTQLQIEISA-N 2 0 208.309 1.080 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc2[nH]ccc2c1 ZINC001170899656 972060004 /nfs/dbraw/zinc/06/00/04/972060004.db2.gz KNZMXPCBNORCBD-GFCCVEGCSA-N 2 0 218.304 1.604 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1cccc(-n2cccc2)c1 ZINC001170899255 972061378 /nfs/dbraw/zinc/06/13/78/972061378.db2.gz IVKGQATVXBGOEB-AWEZNQCLSA-N 2 0 244.342 1.913 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc(-c2ccno2)cc1 ZINC001170899733 972062570 /nfs/dbraw/zinc/06/25/70/972062570.db2.gz MBBSRCPVJQWVBL-CYBMUJFWSA-N 2 0 246.314 1.777 20 0 BDADRP CCOc1ccc(N[C@@H]([NH3+])CCC[NH3+])cc1 ZINC001170900567 972062940 /nfs/dbraw/zinc/06/29/40/972062940.db2.gz WKYAGMAVOVLZNN-GFCCVEGCSA-N 2 0 223.320 1.521 20 0 BDADRP Cc1ccnc(C)c1N[C@H]([NH3+])CCC[NH3+] ZINC001170900719 972068336 /nfs/dbraw/zinc/06/83/36/972068336.db2.gz PDUZRVUPADCGRV-JTQLQIEISA-N 2 0 208.309 1.134 20 0 BDADRP Cc1cncc2cccc(N[C@@H]([NH3+])CCC[NH3+])c12 ZINC001170900317 972065727 /nfs/dbraw/zinc/06/57/27/972065727.db2.gz RWZPZLZVRRMSJG-CYBMUJFWSA-N 2 0 244.342 1.979 20 0 BDADRP Cn1ccc2ncc(N[C@@H]([NH3+])CCC[NH3+])cc21 ZINC001170900746 972067410 /nfs/dbraw/zinc/06/74/10/972067410.db2.gz PHKYQTFCOKJUPY-GFCCVEGCSA-N 2 0 233.319 1.009 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1cc(F)cc2[nH]ccc21 ZINC001170900626 972068208 /nfs/dbraw/zinc/06/82/08/972068208.db2.gz XHNGGMDJQKZOQH-LBPRGKRZSA-N 2 0 236.294 1.743 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1cccc2c1CCN2 ZINC001170901079 972069250 /nfs/dbraw/zinc/06/92/50/972069250.db2.gz VPCFHHFQKAMIIM-GFCCVEGCSA-N 2 0 220.320 1.090 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1cc(Cl)ncc1Cl ZINC001170902860 972073995 /nfs/dbraw/zinc/07/39/95/972073995.db2.gz GGOYOGCRNDKXJW-SECBINFHSA-N 2 0 249.145 1.824 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1cccc(C2=[NH+]CCC2)c1 ZINC001170903225 972076373 /nfs/dbraw/zinc/07/63/73/972076373.db2.gz IBRSQPJKRKLAHC-AWEZNQCLSA-N 3 0 246.358 1.705 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1cc2[nH]cnc2cc1F ZINC001170907114 972081600 /nfs/dbraw/zinc/08/16/00/972081600.db2.gz ZRAQTVPVGHHPLD-NSHDSACASA-N 2 0 237.282 1.138 20 0 BDADRP CCCCC[C@H]([NH2+]C)C(=O)N[C@@H](C)C[NH+](C)C ZINC001219916413 972112972 /nfs/dbraw/zinc/11/29/72/972112972.db2.gz VEPNUYAJTHJMNZ-RYUDHWBXSA-N 2 0 243.395 1.221 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1c(Cl)ccnc1Cl ZINC001159786354 972111966 /nfs/dbraw/zinc/11/19/66/972111966.db2.gz YNQRSNJFWTZFJH-SSDOTTSWSA-N 2 0 249.145 1.824 20 0 BDADRP CCCC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246029273 972122116 /nfs/dbraw/zinc/12/21/16/972122116.db2.gz LOPWTMNAXWLDKG-QJPTWQEYSA-N 2 0 232.343 1.299 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@](C)(O)c2ccccc2)CC[NH2+]1 ZINC001246073415 972126970 /nfs/dbraw/zinc/12/69/70/972126970.db2.gz VJCBJTSVLLBBTJ-YUELXQCFSA-N 2 0 248.370 1.624 20 0 BDADRP C[C@@H]([NH3+])c1nccn1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246078829 972133579 /nfs/dbraw/zinc/13/35/79/972133579.db2.gz BIGKSZWEHZGTTB-OPRDCNLKSA-N 2 0 208.309 1.216 20 0 BDADRP C[C@@H]([NH3+])c1nccn1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246078815 972134290 /nfs/dbraw/zinc/13/42/90/972134290.db2.gz BIGKSZWEHZGTTB-BBBLOLIVSA-N 2 0 208.309 1.216 20 0 BDADRP CC[C@@H]1C[C@@H](NC2CC[NH2+]CC2)C[C@H](CC)[NH2+]1 ZINC001246081869 972136943 /nfs/dbraw/zinc/13/69/43/972136943.db2.gz URFWNFOCTHRBMO-DABQJJPHSA-N 2 0 239.407 1.637 20 0 BDADRP Cc1ccc(C[NH3+])nc1N(C)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246089736 972144175 /nfs/dbraw/zinc/14/41/75/972144175.db2.gz SDUDSVDPTOXKOC-DGCLKSJQSA-N 2 0 248.374 1.425 20 0 BDADRP CC1(C)C[C@@H](N[C@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC001246091283 972145091 /nfs/dbraw/zinc/14/50/91/972145091.db2.gz OHJREKRRKPXXKC-RYUDHWBXSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@H]1CCC[C@H]([NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)C1 ZINC001246086019 972139860 /nfs/dbraw/zinc/13/98/60/972139860.db2.gz YSXJVMLXCDEMBV-ZDEQEGDKSA-N 2 0 244.354 1.217 20 0 BDADRP C1C[NH+]2CCC1C[C@H](N[C@@H]1CCCC[NH2+]C1)C2 ZINC001246091924 972146080 /nfs/dbraw/zinc/14/60/80/972146080.db2.gz RAAYMROMBLYENU-KGLIPLIRSA-N 2 0 237.391 1.202 20 0 BDADRP CSCC[C@H](C)[NH2+]C[C@H]1C[NH2+]C[C@H](C)C1 ZINC001246097892 972152349 /nfs/dbraw/zinc/15/23/49/972152349.db2.gz INQSVYXRALCKPL-GRYCIOLGSA-N 2 0 230.421 1.963 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+]C[C@H]2C)CC[NH2+]1 ZINC001246100363 972154822 /nfs/dbraw/zinc/15/48/22/972154822.db2.gz XIRUNHLXYPCARY-AAVRWANBSA-N 3 0 239.407 1.352 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC001246100400 972155675 /nfs/dbraw/zinc/15/56/75/972155675.db2.gz XIRUNHLXYPCARY-REWJHTLYSA-N 3 0 239.407 1.352 20 0 BDADRP C[C@H]1C[C@H](n2c(C[NH3+])nc3ccccc32)CC[NH2+]1 ZINC001246099915 972158408 /nfs/dbraw/zinc/15/84/08/972158408.db2.gz ZBROMZMDWUNOPK-WDEREUQCSA-N 2 0 244.342 1.808 20 0 BDADRP C[C@@H]1CC[C@@H](CN[C@@H]2CCC[N@H+](C)CC2)C[NH2+]1 ZINC001246102031 972161597 /nfs/dbraw/zinc/16/15/97/972161597.db2.gz WFAVTJRNHMMIJB-MGPQQGTHSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](C[NH2+][C@@H]2CCO[C@@H](C)C2)C1 ZINC001246104012 972167207 /nfs/dbraw/zinc/16/72/07/972167207.db2.gz UDTVGNUNEBDIGL-ZDEQEGDKSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@H]1CC[NH2+]C[C@H]1C[NH2+]C1Cc2ccccc2C1 ZINC001246109841 972175297 /nfs/dbraw/zinc/17/52/97/972175297.db2.gz HGAYLMCMFIDJAN-WFASDCNBSA-N 2 0 244.382 1.989 20 0 BDADRP C[C@H]1CC[C@H](C[NH2+]C2CCSCC2)[NH2+]C1 ZINC001246110157 972175470 /nfs/dbraw/zinc/17/54/70/972175470.db2.gz HLLOJDCNLCWBAW-CMPLNLGQSA-N 2 0 228.405 1.860 20 0 BDADRP COc1cccc(CC[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)n1 ZINC001246119246 972181975 /nfs/dbraw/zinc/18/19/75/972181975.db2.gz JADBSJGXWNDONT-WCQYABFASA-N 2 0 249.358 1.363 20 0 BDADRP C1CC2(C[C@H]1[NH2+][C@H]1CCCNC1)CC[NH2+]CC2 ZINC001246119484 972182937 /nfs/dbraw/zinc/18/29/37/972182937.db2.gz FNZKQUBYDRFDOL-STQMWFEESA-N 2 0 237.391 1.250 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]CC[C@H]2C)CCO1 ZINC001246118797 972183588 /nfs/dbraw/zinc/18/35/88/972183588.db2.gz IOXNXNDPOPHMMY-XJFOESAGSA-N 2 0 240.391 1.779 20 0 BDADRP CCCC[N@H+](CC)CCN[C@@H]1CCC[NH2+]C1 ZINC001246160193 972202277 /nfs/dbraw/zinc/20/22/77/972202277.db2.gz CROWOYLRGICRSX-CYBMUJFWSA-N 2 0 227.396 1.450 20 0 BDADRP C[C@H]1CC[C@@H]([NH2+]C[C@H]2CC[C@H]([NH3+])CC2)CN1 ZINC001246165418 972202342 /nfs/dbraw/zinc/20/23/42/972202342.db2.gz QKXGGVHFZVLPLI-ZDEQEGDKSA-N 2 0 225.380 1.234 20 0 BDADRP CNc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC001246172334 972203263 /nfs/dbraw/zinc/20/32/63/972203263.db2.gz OHXADSJXWKFTPK-SMDDNHRTSA-N 2 0 233.359 1.958 20 0 BDADRP COC(=O)C1(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)CCC1 ZINC001246179713 972208161 /nfs/dbraw/zinc/20/81/61/972208161.db2.gz FFXBZYCOBOTTSG-QWRGUYRKSA-N 2 0 240.347 1.060 20 0 BDADRP C[NH+](C)Cc1ccc(CN[C@H]2CCC[NH2+]C2)cc1 ZINC001246181141 972208713 /nfs/dbraw/zinc/20/87/13/972208713.db2.gz YJXBONFMDOONFM-HNNXBMFYSA-N 2 0 247.386 1.590 20 0 BDADRP CCC1(NC(=O)[C@H]([NH3+])CCC[NH3+])CCCCC1 ZINC001220337601 972211341 /nfs/dbraw/zinc/21/13/41/972211341.db2.gz VPISJAVTAVRELR-LLVKDONJSA-N 2 0 241.379 1.282 20 0 BDADRP C[C@H]1C[C@@H]([NH2+][C@@H](CO)C(C)(C)C)CC[NH2+]1 ZINC001246236564 972242325 /nfs/dbraw/zinc/24/23/25/972242325.db2.gz PWOZYAPOQBAOQI-DCAQKATOSA-N 2 0 214.353 1.124 20 0 BDADRP C[NH+](C)CCn1cc(NC2=CC[N@H+](C)CC2)cn1 ZINC001208718749 957135143 /nfs/dbraw/zinc/13/51/43/957135143.db2.gz LNXUQULUHKZDRC-UHFFFAOYSA-N 2 0 249.362 1.076 20 0 BDADRP CCC[N@H+]1C[C@@H]2C[NH+](CCCOC)C[C@@H]2C1 ZINC001209055442 957307679 /nfs/dbraw/zinc/30/76/79/957307679.db2.gz YPLYDOFZEJVNCS-BETUJISGSA-N 2 0 226.364 1.297 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC001246303337 972265490 /nfs/dbraw/zinc/26/54/90/972265490.db2.gz HIXVMEKHQRWFRX-STQMWFEESA-N 3 0 229.412 1.824 20 0 BDADRP C[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)Cc2ccccc2)C1 ZINC001346190637 957427838 /nfs/dbraw/zinc/42/78/38/957427838.db2.gz INKPCHFOBBROGW-LSDHHAIUSA-N 2 0 248.370 1.131 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCCCCCC[NH3+])CC[NH2+]1 ZINC001246305718 972266957 /nfs/dbraw/zinc/26/69/57/972266957.db2.gz IXLNGSUNLCMCLP-QWHCGFSZSA-N 3 0 227.396 1.626 20 0 BDADRP C[C@H](Cc1cccnc1)[NH2+]CC[C@H](C)[NH3+] ZINC001246306900 972267683 /nfs/dbraw/zinc/26/76/83/972267683.db2.gz UDQHZZKXUQXGLZ-WDEREUQCSA-N 2 0 207.321 1.340 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC001246306966 972267956 /nfs/dbraw/zinc/26/79/56/972267956.db2.gz UMUWZTMJSFMAQK-ZFWWWQNUSA-N 2 0 247.386 1.588 20 0 BDADRP Cc1cc(C)[nH+]c(N2C[C@H]3COC[C@@H](C2)C3[NH3+])c1 ZINC001167185324 957532099 /nfs/dbraw/zinc/53/20/99/957532099.db2.gz CTWDRJLTHCVECQ-ONXXMXGDSA-N 2 0 247.342 1.108 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+]C1CCC(C)(C(=O)OC)CC1 ZINC001246313683 972274947 /nfs/dbraw/zinc/27/49/47/972274947.db2.gz KEERNXGOFAENEY-XSRFYTQQSA-N 2 0 242.363 1.435 20 0 BDADRP CC1(C)CC[NH2+]C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246324234 972285799 /nfs/dbraw/zinc/28/57/99/972285799.db2.gz DXQMEWQLPFZDDL-HNGCFSAESA-N 2 0 237.391 1.247 20 0 BDADRP C[NH+](C)/C=C/c1ccncc1N[C@H]1CC[N@H+](C)C1 ZINC001167284724 957644742 /nfs/dbraw/zinc/64/47/42/957644742.db2.gz OBMNVHAACXOTOV-LJLILKBBSA-N 2 0 246.358 1.730 20 0 BDADRP CCCO[C@H]1CC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000706526263 957950058 /nfs/dbraw/zinc/95/00/58/957950058.db2.gz OUXVBGWCVVHESG-LBPRGKRZSA-N 2 0 212.337 1.239 20 0 BDADRP Cc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC13C[NH2+]C3)CC2 ZINC001246445449 972314000 /nfs/dbraw/zinc/31/40/00/972314000.db2.gz OHLLIHQZAFXKRY-GJZGRUSLSA-N 2 0 242.366 1.804 20 0 BDADRP Fc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC13C[NH2+]C3)C2 ZINC001246447917 972320632 /nfs/dbraw/zinc/32/06/32/972320632.db2.gz XQKOHNXREGSMJW-UONOGXRCSA-N 2 0 246.329 1.635 20 0 BDADRP Fc1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CC13C[NH2+]C3)C2 ZINC001246447916 972321323 /nfs/dbraw/zinc/32/13/23/972321323.db2.gz XQKOHNXREGSMJW-KGLIPLIRSA-N 2 0 246.329 1.635 20 0 BDADRP Cc1cc(C)cc(C[NH2+]C2CC([NH3+])C2)c1 ZINC000693271987 958156524 /nfs/dbraw/zinc/15/65/24/958156524.db2.gz JKDOECPRMGHHJE-UHFFFAOYSA-N 2 0 204.317 1.883 20 0 BDADRP CC(C)[C@H]1C[C@H](NC[C@@]2(C)CCC[NH2+]2)CC[NH2+]1 ZINC001246456659 972326347 /nfs/dbraw/zinc/32/63/47/972326347.db2.gz NURNVZUTWMDABN-MGPQQGTHSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H]1CC[C@H](N(C)CCc2ccncc2)C[NH2+]1 ZINC000398981231 958474521 /nfs/dbraw/zinc/47/45/21/958474521.db2.gz DNJOOZFITFLTOS-OCCSQVGLSA-N 2 0 233.359 1.696 20 0 BDADRP C[C@H]1CC[C@@H](NCC[NH+]2CCCCCC2)C[NH2+]1 ZINC000399006223 958482513 /nfs/dbraw/zinc/48/25/13/958482513.db2.gz YLRAHWJDZAPSCW-UONOGXRCSA-N 2 0 239.407 1.593 20 0 BDADRP C[C@@H]1C[C@@H]([N@H+](C)CCC[NH+]2CCCC2)CCO1 ZINC000420959155 972354139 /nfs/dbraw/zinc/35/41/39/972354139.db2.gz FWBSCAWGECHEJH-KGLIPLIRSA-N 2 0 240.391 1.972 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C2(C3CC[NH2+]CC3)CC2)CC[NH2+]1 ZINC001246503895 972360430 /nfs/dbraw/zinc/36/04/30/972360430.db2.gz MRRDMKAQJPYEOZ-YPMHNXCESA-N 3 0 237.391 1.249 20 0 BDADRP C(C1CCCC1)[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222081195 972361397 /nfs/dbraw/zinc/36/13/97/972361397.db2.gz VHVAEARWMMXMET-UHFFFAOYSA-N 2 0 237.391 1.204 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CC[C@]3(CCOC3)C2)CC[NH2+]1 ZINC000707613287 958624356 /nfs/dbraw/zinc/62/43/56/958624356.db2.gz SEYXTVPMJVDDCI-AGIUHOORSA-N 2 0 224.348 1.239 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CC[C@@]3(CCOC3)C2)CC[NH2+]1 ZINC000707613289 958626191 /nfs/dbraw/zinc/62/61/91/958626191.db2.gz SEYXTVPMJVDDCI-JHJVBQTASA-N 2 0 224.348 1.239 20 0 BDADRP CCC[C@H](CC)[NH2+][C@@H](CCCC[NH3+])C(=O)NC ZINC001246513699 972370455 /nfs/dbraw/zinc/37/04/55/972370455.db2.gz WBAOIUVHWFPWTL-RYUDHWBXSA-N 2 0 243.395 1.398 20 0 BDADRP CCN1CCC([N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000693541975 958734296 /nfs/dbraw/zinc/73/42/96/958734296.db2.gz BAXFVCDYUOWTND-TXEJJXNPSA-N 2 0 225.380 1.140 20 0 BDADRP CO[C@@H]1CC[C@H]1[N@H+](C)CC1CC[NH2+]CC1 ZINC000724151259 958742122 /nfs/dbraw/zinc/74/21/22/958742122.db2.gz FMWDBTXGVBMVJR-VXGBXAGGSA-N 2 0 212.337 1.095 20 0 BDADRP CN(C)C1(C[N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)CCC1 ZINC000693544482 958751974 /nfs/dbraw/zinc/75/19/74/958751974.db2.gz LIPCEVSDCQDJJT-TXEJJXNPSA-N 2 0 225.380 1.140 20 0 BDADRP CC(C)(C)[C@@H]1C[C@@H](N2CCC[NH2+]CC2)CC[NH2+]1 ZINC001246522881 972376764 /nfs/dbraw/zinc/37/67/64/972376764.db2.gz HFXVKUKHMIEFIP-STQMWFEESA-N 2 0 239.407 1.448 20 0 BDADRP CN(CC[NH3+])[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246522430 972379842 /nfs/dbraw/zinc/37/98/42/972379842.db2.gz CTDVBFZAGFLHPK-CABCVRRESA-N 2 0 247.386 1.240 20 0 BDADRP [NH3+]Cc1cccc(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC001327061097 972383568 /nfs/dbraw/zinc/38/35/68/972383568.db2.gz ZEDXCSXFRJRBEC-CHWSQXEVSA-N 2 0 247.342 1.601 20 0 BDADRP C[NH+](C)CC(C)(C)CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001207282707 958873623 /nfs/dbraw/zinc/87/36/23/958873623.db2.gz NCBHCQQVPXPOKP-BETUJISGSA-N 2 0 239.407 1.068 20 0 BDADRP Nc1cc[nH+]cc1CN1CCC[C@]12CCC[NH2+]C2 ZINC001222236870 972416118 /nfs/dbraw/zinc/41/61/18/972416118.db2.gz CGZZTCPUBIKMGJ-AWEZNQCLSA-N 2 0 246.358 1.212 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000405197025 959412338 /nfs/dbraw/zinc/41/23/38/959412338.db2.gz AVQJWEHGYCHLFU-QWHCGFSZSA-N 3 0 237.391 1.188 20 0 BDADRP C([C@@H]1CCC[NH2+]1)N1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222258516 972429123 /nfs/dbraw/zinc/42/91/23/972429123.db2.gz BYJIKVVBDDUBFC-KBPBESRZSA-N 2 0 237.391 1.204 20 0 BDADRP CC[NH2+]CCN1CCC[C@]12CCC[NH2+]CC2 ZINC001222308715 972437630 /nfs/dbraw/zinc/43/76/30/972437630.db2.gz LUJSCWHHWMWFJP-ZDUSSCGKSA-N 2 0 225.380 1.204 20 0 BDADRP [NH3+]CCCCCN1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385362 972451045 /nfs/dbraw/zinc/45/10/45/972451045.db2.gz KZEDTZSWBJKMSF-AWEZNQCLSA-N 3 0 239.407 1.724 20 0 BDADRP COCC[N@H+](CC1CC[NH+](C)CC1)C(C)C ZINC001207398447 959716831 /nfs/dbraw/zinc/71/68/31/959716831.db2.gz QWDSOIOTNIWAMJ-UHFFFAOYSA-N 2 0 228.380 1.685 20 0 BDADRP C[C@@H]1CC[C@@H](OCCCC2CC[NH2+]CC2)C[NH2+]1 ZINC001217911278 959747707 /nfs/dbraw/zinc/74/77/07/959747707.db2.gz KZJOVNFFLLZCCM-TZMCWYRMSA-N 2 0 240.391 1.923 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](C[C@H](O)CC2CCCC2)C1 ZINC000300028617 959813687 /nfs/dbraw/zinc/81/36/87/959813687.db2.gz JMZAMOFSPQOQHK-UONOGXRCSA-N 2 0 240.391 1.598 20 0 BDADRP CO[C@@H]1CC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000300038223 959826931 /nfs/dbraw/zinc/82/69/31/959826931.db2.gz FCQNOVKGRDTLTP-NEPJUHHUSA-N 2 0 212.337 1.097 20 0 BDADRP CC1([NH3+])CC[NH+]([C@H]2CCCOCC2)CC1 ZINC000309466072 959880237 /nfs/dbraw/zinc/88/02/37/959880237.db2.gz PYAHMVMNVNFROJ-NSHDSACASA-N 2 0 212.337 1.369 20 0 BDADRP Cc1c(O[C@H]2CC[NH2+]C2)ccc2c1CC[NH2+]C2 ZINC001218183757 959886164 /nfs/dbraw/zinc/88/61/64/959886164.db2.gz STWYKOMPQLLAOY-LBPRGKRZSA-N 2 0 232.327 1.381 20 0 BDADRP CC[C@@H]1C[C@H]([N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)CCO1 ZINC000708874767 960002495 /nfs/dbraw/zinc/00/24/95/960002495.db2.gz LSBPDULUYBABJV-UMSGYPCISA-N 2 0 226.364 1.471 20 0 BDADRP CCC[NH+]1CCC(N2C[C@H](C)[C@H](C[NH3+])C2)CC1 ZINC000708889425 960077515 /nfs/dbraw/zinc/07/75/15/960077515.db2.gz LZYXOFCUCHYDMF-QWHCGFSZSA-N 2 0 239.407 1.387 20 0 BDADRP C[C@H]1C[NH2+]CC[C@H]1Oc1cccc(C[NH3+])c1 ZINC001218423722 960082939 /nfs/dbraw/zinc/08/29/39/960082939.db2.gz LWULHETZLOUTQM-GXFFZTMASA-N 2 0 220.316 1.522 20 0 BDADRP C[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCCC1=O ZINC001207436937 960090987 /nfs/dbraw/zinc/09/09/87/960090987.db2.gz XCHBZORQSODNSR-NSHDSACASA-N 2 0 224.348 1.287 20 0 BDADRP Cc1nccnc1C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001140938392 960114348 /nfs/dbraw/zinc/11/43/48/960114348.db2.gz OBUUQIJQMWATTB-UHFFFAOYSA-N 2 0 246.358 1.313 20 0 BDADRP [NH3+]CC(C[NH3+])NCc1ccccc1C(F)(F)F ZINC000695339144 960202111 /nfs/dbraw/zinc/20/21/11/960202111.db2.gz BOQAUAQVVLQXOT-UHFFFAOYSA-N 2 0 247.264 1.081 20 0 BDADRP C[C@H](CN[C@@H](C)C1C[NH2+]C1)[NH+]1CCCCC1 ZINC000686221723 960213471 /nfs/dbraw/zinc/21/34/71/960213471.db2.gz XQSQJBUPNDVBCQ-NEPJUHHUSA-N 2 0 225.380 1.058 20 0 BDADRP CC(C)[NH+](CCN[C@H]1CC[NH2+][C@@H](C)C1)C(C)C ZINC000709357184 960528853 /nfs/dbraw/zinc/52/88/53/960528853.db2.gz VCHLZCFRVHTXPS-KBPBESRZSA-N 2 0 241.423 1.835 20 0 BDADRP C1C[C@H]2CC([NH2+][C@H]3CCCOC3)C[C@@H]1[NH2+]2 ZINC000709404304 960581942 /nfs/dbraw/zinc/58/19/42/960581942.db2.gz IWFAMCYAOMLMIL-PSIUFMSWSA-N 2 0 210.321 1.038 20 0 BDADRP c1cn(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000709452224 960613533 /nfs/dbraw/zinc/61/35/33/960613533.db2.gz AIZSYRYMCJVANO-FUNVUKJBSA-N 2 0 234.347 1.146 20 0 BDADRP c1cc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccn1 ZINC000709449311 960616506 /nfs/dbraw/zinc/61/65/06/960616506.db2.gz RDZGQYKWQKUZSM-PBWFPOADSA-N 2 0 231.343 1.497 20 0 BDADRP O[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000709488047 960622595 /nfs/dbraw/zinc/62/25/95/960622595.db2.gz NLVDBPIJHFEICU-GVWAJWJKSA-N 2 0 224.348 1.163 20 0 BDADRP O[C@@H]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000709502248 960628080 /nfs/dbraw/zinc/62/80/80/960628080.db2.gz JWSXSQCEMXOXNJ-BEUHCMRWSA-N 2 0 238.375 1.410 20 0 BDADRP [NH3+]CC1(F)CC[NH+](Cc2ccc[nH]2)CC1 ZINC001222532528 960681262 /nfs/dbraw/zinc/68/12/62/960681262.db2.gz MQHKSNXGOPPQCJ-UHFFFAOYSA-N 2 0 211.284 1.278 20 0 BDADRP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@@H]2[NH2+]CC1CC=CC1 ZINC000925721767 960793735 /nfs/dbraw/zinc/79/37/35/960793735.db2.gz FTARLZQNGRMHHV-KPWCQOOUSA-N 2 0 236.359 1.295 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)c1cccc(C[NH3+])c1 ZINC000841855827 961449751 /nfs/dbraw/zinc/44/97/51/961449751.db2.gz ILQILFKLHDBXAP-LBPRGKRZSA-N 2 0 247.342 1.016 20 0 BDADRP [NH2+]=C(NCCCC[NH3+])Nc1cncc(C2CC2)c1 ZINC001167881415 961465060 /nfs/dbraw/zinc/46/50/60/961465060.db2.gz GLSUKDWXOPFIJS-UHFFFAOYSA-N 2 0 247.346 1.634 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167902716 961659605 /nfs/dbraw/zinc/65/96/05/961659605.db2.gz NVILNQRWPLHREM-LOWDOPEQSA-N 2 0 208.349 1.859 20 0 BDADRP C[NH+](C)CCCN(CCC[NH3+])[C@H]1C[C@H]2C[C@H]2C1 ZINC001167905593 961738720 /nfs/dbraw/zinc/73/87/20/961738720.db2.gz OKSGYMQUHFVXHZ-WDNDVIMCSA-N 2 0 239.407 1.387 20 0 BDADRP Cn1cnc2cc(C[NH2+]CCC(C)(C)[NH3+])ccc21 ZINC000258915571 962098262 /nfs/dbraw/zinc/09/82/62/962098262.db2.gz NUUVDNNAUAXFSG-UHFFFAOYSA-N 2 0 246.358 1.790 20 0 BDADRP N[C@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCC1(F)F ZINC001206648164 962598706 /nfs/dbraw/zinc/59/87/06/962598706.db2.gz MGHNZKOQMHTRAL-QWRGUYRKSA-N 2 0 247.333 1.044 20 0 BDADRP C[C@@H]([NH2+][C@@H]1COC[C@H]1C)C1CC[NH+](C)CC1 ZINC000688030684 962812647 /nfs/dbraw/zinc/81/26/47/962812647.db2.gz SLVPBKBEORYIND-NQBHXWOUSA-N 2 0 226.364 1.341 20 0 BDADRP C[C@H]([NH2+][C@H]1COC[C@H]1C)C1CC[NH+](C)CC1 ZINC000688030683 962813286 /nfs/dbraw/zinc/81/32/86/962813286.db2.gz SLVPBKBEORYIND-MDZLAQPJSA-N 2 0 226.364 1.341 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@H]1COC[C@@H]1C ZINC000688050060 962845662 /nfs/dbraw/zinc/84/56/62/962845662.db2.gz SHDOLNRCAHHIEQ-RYUDHWBXSA-N 2 0 214.353 1.341 20 0 BDADRP Cc1cnc(NC[C@H]2C[NH2+][C@H](C)C2)c(C[NH3+])c1 ZINC001155102103 962979272 /nfs/dbraw/zinc/97/92/72/962979272.db2.gz TZEDBSMDSFJNCZ-GHMZBOCLSA-N 2 0 234.347 1.259 20 0 BDADRP Cc1cc(C)[nH+]c(N[C@H]2COCCC23C[NH2+]C3)c1 ZINC001155461382 963085641 /nfs/dbraw/zinc/08/56/41/963085641.db2.gz DALDMBNOLSPQRH-LBPRGKRZSA-N 2 0 247.342 1.489 20 0 BDADRP Cc1nc(N[C@H](C)C[NH+](C)C)cc(N(C)C)[nH+]1 ZINC001155915820 963202701 /nfs/dbraw/zinc/20/27/01/963202701.db2.gz ZETFEBDEKWXSPI-SECBINFHSA-N 2 0 237.351 1.213 20 0 BDADRP Cc1nc(C)c(C)c(N(C)C2CC[NH2+]CC2)n1 ZINC001156180517 963275729 /nfs/dbraw/zinc/27/57/29/963275729.db2.gz IYGJTEDWBPOGRP-UHFFFAOYSA-N 2 0 234.347 1.590 20 0 BDADRP Cn1ccc2c1cc[nH+]c2N1CC[C@H]([NH3+])C1 ZINC001156228588 963288211 /nfs/dbraw/zinc/28/82/11/963288211.db2.gz HWYKOSSYHHDZNQ-VIFPVBQESA-N 2 0 216.288 1.111 20 0 BDADRP Cc1c(F)ccnc1NC(=[NH2+])NCCCC[NH3+] ZINC001157097237 963531519 /nfs/dbraw/zinc/53/15/19/963531519.db2.gz UDYCAMMLPGFGQZ-UHFFFAOYSA-N 2 0 239.298 1.204 20 0 BDADRP Cc1c[nH+]c(NC2(C)CC[NH2+]CC2)cc1N ZINC001157402495 963598768 /nfs/dbraw/zinc/59/87/68/963598768.db2.gz ATEUKBLWAUNWBO-UHFFFAOYSA-N 2 0 220.320 1.526 20 0 BDADRP CCC[N@H+](CCC[NH3+])[C@H]1CCO[C@H](C)C1 ZINC001168074090 963608197 /nfs/dbraw/zinc/60/81/97/963608197.db2.gz HCVJKZVKMHEISD-NEPJUHHUSA-N 2 0 214.353 1.615 20 0 BDADRP C[C@H]1C[C@@H]([NH2+][C@H]2CCN(CC3CC3)C2)CCO1 ZINC001168093731 963697549 /nfs/dbraw/zinc/69/75/49/963697549.db2.gz OGHJCTAGRFATEM-UBHSHLNASA-N 2 0 238.375 1.628 20 0 BDADRP C[C@@H]1[C@@H]([NH3+])CCCN1c1cc(N(C)C)cc[nH+]1 ZINC001157740970 963712971 /nfs/dbraw/zinc/71/29/71/963712971.db2.gz JAVCCNFHCNZFPP-PWSUYJOCSA-N 2 0 234.347 1.464 20 0 BDADRP C[C@H]1C[C@@H]([N@H+](C)CCC[NH+](C)C)CCO1 ZINC001168107869 963741051 /nfs/dbraw/zinc/74/10/51/963741051.db2.gz YWMBPLQWIAQGAE-RYUDHWBXSA-N 2 0 214.353 1.437 20 0 BDADRP C[C@H]1C[C@@H]([N@H+](C)CC2CC[NH+](C)CC2)CCO1 ZINC001168128260 963804283 /nfs/dbraw/zinc/80/42/83/963804283.db2.gz PIKKKCQBUKWEOF-JSGCOSHPSA-N 2 0 240.391 1.828 20 0 BDADRP CC[N@H+](C1CCN(C)CC1)[C@@H]1CCO[C@@H](C)C1 ZINC001168127670 963804514 /nfs/dbraw/zinc/80/45/14/963804514.db2.gz IBSYGHHMDNIJTP-GXTWGEPZSA-N 2 0 240.391 1.970 20 0 BDADRP C[C@@H]1CN(c2[nH+]ccc3[nH]ccc32)C[C@H](C)[NH2+]1 ZINC001158172594 963817801 /nfs/dbraw/zinc/81/78/01/963817801.db2.gz JGSVKWXOJMWXCR-AOOOYVTPSA-N 2 0 230.315 1.750 20 0 BDADRP C[C@H]1C[NH+](CC2CC[NH+](C)CC2)C[C@H](C)C1O ZINC000697238811 963873927 /nfs/dbraw/zinc/87/39/27/963873927.db2.gz LMNIPXHGOIZYIS-RYUDHWBXSA-N 2 0 240.391 1.277 20 0 BDADRP Cc1c[nH+]c(NCC23CC[NH+](CC2)CC3)cc1N ZINC001158828537 963936140 /nfs/dbraw/zinc/93/61/40/963936140.db2.gz FTJGOOBFJFLGAR-UHFFFAOYSA-N 2 0 246.358 1.870 20 0 BDADRP CN(C)c1cc[nH+]c(N2CC3(C2)CCC[NH2+]C3)c1 ZINC001159020186 963975163 /nfs/dbraw/zinc/97/51/63/963975163.db2.gz XZFWUGQXPLYDAU-UHFFFAOYSA-N 2 0 246.358 1.337 20 0 BDADRP Cc1ccc(N2CCC3(C[NH2+]C3)CC2)[nH+]c1C ZINC001159042026 963979077 /nfs/dbraw/zinc/97/90/77/963979077.db2.gz MDPSBKXGJHZSJU-UHFFFAOYSA-N 2 0 231.343 1.888 20 0 BDADRP CN(c1[nH+]ccc2[nH]ccc21)C(C)(C)C[NH3+] ZINC001159051215 963984890 /nfs/dbraw/zinc/98/48/90/963984890.db2.gz HFFINBLDSUZVLO-UHFFFAOYSA-N 2 0 218.304 1.736 20 0 BDADRP Nc1[nH]c2ccc(N[C@H]3C[NH2+]CC[C@H]3F)cc2[nH+]1 ZINC001168226328 964007744 /nfs/dbraw/zinc/00/77/44/964007744.db2.gz DFFLXRRHMNTMPL-KCJUWKMLSA-N 2 0 249.293 1.257 20 0 BDADRP F[C@@H]1CC[NH2+]C[C@@H]1Nc1cccc2c1C[NH2+]CC2 ZINC001168232452 964022840 /nfs/dbraw/zinc/02/28/40/964022840.db2.gz ZEKBSKHRMBEKHP-OCCSQVGLSA-N 2 0 249.333 1.444 20 0 BDADRP C[C@H]([NH3+])c1ccc(-n2cc(C[NH3+])cn2)cc1 ZINC001168262775 964093324 /nfs/dbraw/zinc/09/33/24/964093324.db2.gz VXFJJOXBIFNXGM-VIFPVBQESA-N 2 0 216.288 1.351 20 0 BDADRP c1cc(NC2=CCC[NH2+]C2)cc2c1C[NH2+]C2 ZINC001159470832 964106611 /nfs/dbraw/zinc/10/66/11/964106611.db2.gz OALGYERILWQNAP-UHFFFAOYSA-N 2 0 215.300 1.579 20 0 BDADRP Cc1nc(Cl)c(N[C@@H]([NH3+])CCC[NH3+])nc1C ZINC001159784935 964194151 /nfs/dbraw/zinc/19/41/51/964194151.db2.gz MSLQARRHCULEHZ-MRVPVSSYSA-N 2 0 243.742 1.182 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc2cc(F)ccc2n1 ZINC001159784897 964194940 /nfs/dbraw/zinc/19/49/40/964194940.db2.gz LWSUUQOGKVXRTD-GFCCVEGCSA-N 2 0 248.305 1.810 20 0 BDADRP CC(C)Oc1cccc(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001159785303 964195058 /nfs/dbraw/zinc/19/50/58/964195058.db2.gz OMHYBSLACGUPAL-JTQLQIEISA-N 2 0 238.335 1.304 20 0 BDADRP C[NH+](C)C1CCC([NH2+]Cc2ccnnc2)CC1 ZINC001168297950 964392361 /nfs/dbraw/zinc/39/23/61/964392361.db2.gz QUCAMIPHPBFERU-UHFFFAOYSA-N 2 0 234.347 1.439 20 0 BDADRP C[C@H]([NH3+])c1ccn(C2CCC([NH+](C)C)CC2)n1 ZINC001168298181 964392894 /nfs/dbraw/zinc/39/28/94/964392894.db2.gz CVODYAJANDZMNL-UNXYVOJBSA-N 2 0 236.363 1.948 20 0 BDADRP CCC[C@H]([NH2+]C1CCC([NH+](C)C)CC1)C(N)=O ZINC001168304019 964396948 /nfs/dbraw/zinc/39/69/48/964396948.db2.gz KERAJAJWUNBHQN-MCIGGMRASA-N 2 0 241.379 1.103 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2CCC[C@@H](O)C2)CC1 ZINC001168315764 964422040 /nfs/dbraw/zinc/42/20/40/964422040.db2.gz NZCPYPXQXNGVMM-WXRRBKDZSA-N 2 0 226.364 1.316 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2CCC[C@@](C)(O)C2)CC1 ZINC001168324511 964445343 /nfs/dbraw/zinc/44/53/43/964445343.db2.gz QIJGTHAZRAYVGJ-JXQTWKCFSA-N 2 0 240.391 1.706 20 0 BDADRP CN1CC[C@H]([N@H+](C)C2CCC([NH+](C)C)CC2)C1 ZINC001168323814 964449410 /nfs/dbraw/zinc/44/94/10/964449410.db2.gz CVWXRJAKKURKOA-RUXDESIVSA-N 2 0 239.407 1.495 20 0 BDADRP CN(C)C1(C)C[NH+](C2CCC([NH+](C)C)CC2)C1 ZINC001168327628 964459270 /nfs/dbraw/zinc/45/92/70/964459270.db2.gz PWBALWYLTTVBOC-UHFFFAOYSA-N 2 0 239.407 1.495 20 0 BDADRP c1ccn(CC[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC001168353027 964492973 /nfs/dbraw/zinc/49/29/73/964492973.db2.gz HHMGICWBCNLUQY-UHFFFAOYSA-N 2 0 247.386 1.952 20 0 BDADRP CCOC[C@H](C)[NH2+]CC[C@@H](C)[NH+](C)C ZINC000697864755 964591365 /nfs/dbraw/zinc/59/13/65/964591365.db2.gz AWCLOMGKCJJAAI-WDEREUQCSA-N 2 0 202.342 1.341 20 0 BDADRP C[NH+](C)CCNc1[nH+]ccc2c1CCN2 ZINC001161666733 964674949 /nfs/dbraw/zinc/67/49/49/964674949.db2.gz XIOPJEQCIWMCSS-UHFFFAOYSA-N 2 0 206.293 1.023 20 0 BDADRP C([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CSC1 ZINC000697998425 964860217 /nfs/dbraw/zinc/86/02/17/964860217.db2.gz BDDYAPBGSSRDCU-NEPJUHHUSA-N 2 0 226.389 1.566 20 0 BDADRP CC(C)(C)[NH+]1CC(Nc2cc(N)cc[nH+]2)C1 ZINC001162220554 964880428 /nfs/dbraw/zinc/88/04/28/964880428.db2.gz VJXNWFKBTYGOID-UHFFFAOYSA-N 2 0 220.320 1.558 20 0 BDADRP CC(C)([NH3+])c1ccccc1-n1cnc(C[NH3+])c1 ZINC001162304727 964919172 /nfs/dbraw/zinc/91/91/72/964919172.db2.gz RFAMKCIBMYJEPU-UHFFFAOYSA-N 2 0 230.315 1.525 20 0 BDADRP Cc1c[nH+]c(N[C@H]2C[C@@](C)([NH3+])C2)cc1N ZINC001162328666 964934333 /nfs/dbraw/zinc/93/43/33/964934333.db2.gz JZLBDQXBVPMGGR-DKTWLAJQSA-N 2 0 206.293 1.264 20 0 BDADRP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1cc(C[NH3+])ccn1 ZINC001162452943 964984750 /nfs/dbraw/zinc/98/47/50/964984750.db2.gz HKJJMBCSMDCCLS-DGCLKSJQSA-N 2 0 248.374 1.588 20 0 BDADRP Cc1cc2[nH+]ccn2cc1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001162476991 964991670 /nfs/dbraw/zinc/99/16/70/964991670.db2.gz AWUKMWPNXNNNLX-QWRGUYRKSA-N 2 0 248.305 1.755 20 0 BDADRP OC[C@@H]1CC[N@@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168379379 965086257 /nfs/dbraw/zinc/08/62/57/965086257.db2.gz JFAXSWWUVSPXRX-CYBMUJFWSA-N 2 0 238.375 1.175 20 0 BDADRP c1cc2c(cc[nH+]c2N[C@H]2C=C[C@@H]3C[NH2+]C[C@@H]32)[nH]1 ZINC001162790634 965177325 /nfs/dbraw/zinc/17/73/25/965177325.db2.gz VBNDPFNZVYSGIW-CDMKHQONSA-N 2 0 240.310 1.749 20 0 BDADRP Cc1c[nH+]c(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)c(C)c1 ZINC001162794474 965183153 /nfs/dbraw/zinc/18/31/53/965183153.db2.gz PLCHUGKUAKLNNX-FRRDWIJNSA-N 2 0 229.327 1.884 20 0 BDADRP C1=C[C@H](Nc2ccc3c([nH+]2)CCC3)[C@H]2C[NH2+]C[C@H]12 ZINC001162794488 965184544 /nfs/dbraw/zinc/18/45/44/965184544.db2.gz PNJNNGGDCRIOTP-OBJOEFQTSA-N 2 0 241.338 1.756 20 0 BDADRP c1cc2c(c(N[C@@]34CCC[C@@H]3[NH2+]CC4)[nH+]1)CCN2 ZINC001162978188 965215144 /nfs/dbraw/zinc/21/51/44/965215144.db2.gz UEJHZJSRUBBQNU-GXTWGEPZSA-N 2 0 244.342 1.746 20 0 BDADRP Cc1cc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)cc(C)[nH+]1 ZINC001163262882 965321190 /nfs/dbraw/zinc/32/11/90/965321190.db2.gz NJVAZKLETZODOK-XBFCOCLRSA-N 2 0 231.343 1.530 20 0 BDADRP CC(C)N(C)c1nccc(N2CCC([NH3+])CC2)n1 ZINC001163621783 965482789 /nfs/dbraw/zinc/48/27/89/965482789.db2.gz LWZXUNPOXAYAFP-UHFFFAOYSA-N 2 0 249.362 1.249 20 0 BDADRP C[C@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@](C)(C(F)F)O1 ZINC000698774934 965499283 /nfs/dbraw/zinc/49/92/83/965499283.db2.gz MLTLMTXRILUAKD-UXCLJVHYSA-N 2 0 248.317 1.468 20 0 BDADRP C[C@@H](C[NH+](C)C)Nc1ccc([C@@H]2CCC[NH2+]2)cn1 ZINC001163770177 965573662 /nfs/dbraw/zinc/57/36/62/965573662.db2.gz GZTYLDIEWRTLMT-AAEUAGOBSA-N 2 0 248.374 1.868 20 0 BDADRP C[C@H](C[NH+](C)C)Nc1[nH+]ccc2c1CCN2 ZINC001163772195 965577669 /nfs/dbraw/zinc/57/76/69/965577669.db2.gz KHTOUOYPUAQDPY-SECBINFHSA-N 2 0 220.320 1.412 20 0 BDADRP Cc1cc(C[NH3+])nn1-c1cccc(C[NH+](C)C)n1 ZINC001163982069 965675462 /nfs/dbraw/zinc/67/54/62/965675462.db2.gz XJDBJRFHUUSPKL-UHFFFAOYSA-N 2 0 245.330 1.096 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH3+])N(c2cc(N(C)C)cc[nH+]2)C1 ZINC001164070935 965728911 /nfs/dbraw/zinc/72/89/11/965728911.db2.gz QKWBFEHLDNSRQZ-YPMHNXCESA-N 2 0 248.374 1.711 20 0 BDADRP Cc1cnc(N2C[C@H](C)CC[C@@H]2C[NH3+])c(C[NH3+])c1 ZINC001164076022 965731583 /nfs/dbraw/zinc/73/15/83/965731583.db2.gz ZJSOHZJHYWSRNF-ZWNOBZJWSA-N 2 0 248.374 1.412 20 0 BDADRP CCC[C@H](O)C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000715176504 965771546 /nfs/dbraw/zinc/77/15/46/965771546.db2.gz DZMJOJRMFKERAZ-AGIUHOORSA-N 2 0 228.380 1.610 20 0 BDADRP C[C@@]1(C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCO1 ZINC000699210307 965814248 /nfs/dbraw/zinc/81/42/48/965814248.db2.gz LWBMHOGBXRQGBJ-GSPSYOTPSA-N 2 0 238.375 1.676 20 0 BDADRP C[N@@H+]1CC[C@@H](c2ccc(N3CC[C@H]([NH3+])C3)cc2)C1 ZINC001164288273 965832464 /nfs/dbraw/zinc/83/24/64/965832464.db2.gz NFWSPTYRUZJLFK-KGLIPLIRSA-N 2 0 245.370 1.643 20 0 BDADRP Cc1ccc(N2CC[C@@H]([NH3+])C2)c(C[NH+](C)C)c1 ZINC001164289189 965832617 /nfs/dbraw/zinc/83/26/17/965832617.db2.gz VTVNTXIIGGBIKN-CYBMUJFWSA-N 2 0 233.359 1.594 20 0 BDADRP C[N@H+](CC1CC1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699303381 965834253 /nfs/dbraw/zinc/83/42/53/965834253.db2.gz BFBYGMDCKDTCOF-YHWZYXNKSA-N 2 0 208.349 1.859 20 0 BDADRP C[C@H](C[NH2+][C@H]1CO[C@H](C2CC2)C1)C[NH+](C)C ZINC000691287912 965912489 /nfs/dbraw/zinc/91/24/89/965912489.db2.gz VIQMSBQNHIFMDV-RTXFEEFZSA-N 2 0 226.364 1.341 20 0 BDADRP CC[C@@H]1COC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000699500007 965923997 /nfs/dbraw/zinc/92/39/97/965923997.db2.gz ZOPDAKVBMZWGOL-SYQHCUMBSA-N 2 0 238.375 1.628 20 0 BDADRP Cc1ccc(C[NH2+][C@@H](C)C2CC[NH2+]CC2)cn1 ZINC000400387425 965950753 /nfs/dbraw/zinc/95/07/53/965950753.db2.gz YRZRUALGCCWWTI-LBPRGKRZSA-N 2 0 233.359 1.868 20 0 BDADRP C[NH+]1C[C@H]2CN(c3[nH+]ccc4[nH]ccc43)C[C@@H]2C1 ZINC001165145793 965971786 /nfs/dbraw/zinc/97/17/86/965971786.db2.gz WWILECLLDXPOFT-QWRGUYRKSA-N 2 0 242.326 1.561 20 0 BDADRP C(C1CC2(C1)CC[NH2+]CC2)N1CC[NH2+]CC12CC2 ZINC001234972167 965985600 /nfs/dbraw/zinc/98/56/00/965985600.db2.gz AGKAPSDQHHBWFG-UHFFFAOYSA-N 2 0 249.402 1.204 20 0 BDADRP Cc1c[nH+]c(N2CC[C@@]3(C2)CCC[NH2+]C3)cc1N ZINC001165244793 966004997 /nfs/dbraw/zinc/00/49/97/966004997.db2.gz WHNYYXUXWUJREO-AWEZNQCLSA-N 2 0 246.358 1.552 20 0 BDADRP C[C@H]1C[N@H+](Cc2cccn3ccnc23)C[C@H]1C[NH3+] ZINC001205140955 966025842 /nfs/dbraw/zinc/02/58/42/966025842.db2.gz UUNHOHCFRBIWAG-WCQYABFASA-N 2 0 244.342 1.361 20 0 BDADRP C[n+]1cccc(NCC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC001165300908 966040643 /nfs/dbraw/zinc/04/06/43/966040643.db2.gz UMBLBGJQVPTFFZ-ZDUSSCGKSA-N 2 0 234.367 1.655 20 0 BDADRP [NH3+][C@H]1[C@H]2CN(c3cc(N4CCCC4)cc[nH+]3)C[C@@H]12 ZINC001165382837 966078252 /nfs/dbraw/zinc/07/82/52/966078252.db2.gz XRPIAEGWPLJPGZ-DABQJJPHSA-N 2 0 244.342 1.075 20 0 BDADRP Cc1c[nH+]c(N2CCC(C3C[NH2+]C3)CC2)cc1N ZINC001165409378 966098839 /nfs/dbraw/zinc/09/88/39/966098839.db2.gz GOPWALGBXKFQPS-UHFFFAOYSA-N 2 0 246.358 1.408 20 0 BDADRP C[C@@H]1CC[C@@H]([NH3+])CN1C[C@H]([NH3+])Cc1ccccc1 ZINC001235892454 966136954 /nfs/dbraw/zinc/13/69/54/966136954.db2.gz QYSHDAGFWABOQN-BPLDGKMQSA-N 2 0 247.386 1.368 20 0 BDADRP Cc1cc(O)cc(C)c1CN1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235995999 966222036 /nfs/dbraw/zinc/22/20/36/966222036.db2.gz RWFJBHNCNTXOBF-WFASDCNBSA-N 2 0 246.354 1.932 20 0 BDADRP C1=C[C@@H]2C[C@H]1C[C@H]2C[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236058743 966258498 /nfs/dbraw/zinc/25/84/98/966258498.db2.gz AXAAPPQNVGDHCH-RMEBNNNOSA-N 2 0 232.371 1.882 20 0 BDADRP CCCC[NH2+]CCCNC(=O)[C@H](CC)[NH+](C)C ZINC001166851436 966432913 /nfs/dbraw/zinc/43/29/13/966432913.db2.gz AHPFDFYKGRGQQB-LBPRGKRZSA-N 2 0 243.395 1.223 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCN1Cc1cc2c[nH+]ccc2[nH]1 ZINC001205191032 966804500 /nfs/dbraw/zinc/80/45/00/966804500.db2.gz UUMNTLLZWLPZGA-BXKDBHETSA-N 2 0 230.315 1.484 20 0 BDADRP [NH3+]C[C@]1(O)CCC[N@H+](CCC(F)(F)F)CC1 ZINC001205209332 966845010 /nfs/dbraw/zinc/84/50/10/966845010.db2.gz IPMIQXSDRSDRNG-VIFPVBQESA-N 2 0 240.269 1.115 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+](Cc1ccncc1)CC2 ZINC001204081989 966885657 /nfs/dbraw/zinc/88/56/57/966885657.db2.gz XOOGGFZITZNQAM-UHFFFAOYSA-N 2 0 231.343 1.609 20 0 BDADRP CC(C)CNC(=O)C[N@H+](C)CCCCCC[NH3+] ZINC000383645969 966903472 /nfs/dbraw/zinc/90/34/72/966903472.db2.gz GKZVDKIJJSDGKK-UHFFFAOYSA-N 2 0 243.395 1.210 20 0 BDADRP CCC1(Nc2ccc([C@H](C)[NH3+])cc2)C[NH2+]C1 ZINC001168582443 966922699 /nfs/dbraw/zinc/92/26/99/966922699.db2.gz PICHCDUQQZHUMF-JTQLQIEISA-N 2 0 219.332 1.870 20 0 BDADRP c1cc2c(nccc2CN2CCC[NH2+]CC2)[nH]1 ZINC001204667969 967125574 /nfs/dbraw/zinc/12/55/74/967125574.db2.gz QMNIEHWEZAHNGK-UHFFFAOYSA-N 2 0 230.315 1.358 20 0 BDADRP [NH3+][C@H]1CN(CCC[NH2+]C2CCCCC2)C[C@H]1F ZINC001204821000 967183612 /nfs/dbraw/zinc/18/36/12/967183612.db2.gz XIMIFKDJHRJJLH-OLZOCXBDSA-N 2 0 243.370 1.280 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@@H](NC2CC[NH+](C)CC2)C1 ZINC000715579047 967189870 /nfs/dbraw/zinc/18/98/70/967189870.db2.gz GVSYUNXWBSAQKG-ZIAGYGMSSA-N 3 0 239.407 1.543 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2CCC[NH2+]C2)C1 ZINC000715575090 967190627 /nfs/dbraw/zinc/19/06/27/967190627.db2.gz WLZIGENYWKVMKZ-YNEHKIRRSA-N 2 0 225.380 1.201 20 0 BDADRP [NH3+][C@H](CN1C[C@@H]([NH3+])C2(CC2)C1)c1ccccc1 ZINC001204904828 967223900 /nfs/dbraw/zinc/22/39/00/967223900.db2.gz ZNJNWYXVYVREQG-CHWSQXEVSA-N 2 0 231.343 1.110 20 0 BDADRP C[C@@]1([NH3+])CCCN(Cc2ccc(C[NH3+])cc2)C1 ZINC001204937548 967240944 /nfs/dbraw/zinc/24/09/44/967240944.db2.gz DQKUZKFXCZHIQN-CQSZACIVSA-N 3 0 233.359 1.459 20 0 BDADRP [NH3+]C[C@@H]1CCCCN1Cc1ccc2c(c1)C[NH2+]C2 ZINC001204933918 967241390 /nfs/dbraw/zinc/24/13/90/967241390.db2.gz YHLYMIQEGPGEIA-HNNXBMFYSA-N 2 0 245.370 1.603 20 0 BDADRP CCc1nc(C[N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)cs1 ZINC000693544816 967252741 /nfs/dbraw/zinc/25/27/41/967252741.db2.gz GJAQRLKIRCJXHM-AOOOYVTPSA-N 2 0 239.388 1.875 20 0 BDADRP C[C@@]1([NH3+])CCCN(Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC001204947519 967253124 /nfs/dbraw/zinc/25/31/24/967253124.db2.gz ZWQAARBDUKCXKM-OAHLLOKOSA-N 2 0 245.370 1.603 20 0 BDADRP CCC[N@H+](C[C@H]1C[C@@H](OC)C1)C1CC[NH2+]CC1 ZINC000721934315 967259147 /nfs/dbraw/zinc/25/91/47/967259147.db2.gz YCDFAWGNAZARQH-XBXGTLAGSA-N 2 0 240.391 1.875 20 0 BDADRP N[C@H](C[NH+]1CCC(C[NH3+])CC1)c1ccccc1 ZINC001205026655 967297602 /nfs/dbraw/zinc/29/76/02/967297602.db2.gz VQKUHNBXPYQHCM-CQSZACIVSA-N 2 0 233.359 1.357 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2cccc3nonc32)CC1 ZINC001205025829 967299575 /nfs/dbraw/zinc/29/95/75/967299575.db2.gz HOJTWXOYLHZENB-UHFFFAOYSA-N 2 0 246.314 1.394 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2ccc3c(c2)CCN3)CC1 ZINC001205053598 967309769 /nfs/dbraw/zinc/30/97/69/967309769.db2.gz QJKKBDGXKNCFIX-UHFFFAOYSA-N 2 0 245.370 1.825 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2ccc3c(c2)C[NH2+]C3)CC1 ZINC001205052807 967310216 /nfs/dbraw/zinc/31/02/16/967310216.db2.gz GAXQGRNXTURCDW-UHFFFAOYSA-N 3 0 245.370 1.461 20 0 BDADRP COc1ccc(CN2[C@@H](C)CC[C@H]2C[NH3+])cc1N ZINC001205076771 967326349 /nfs/dbraw/zinc/32/63/49/967326349.db2.gz VSMVBFBLVJATJU-JQWIXIFHSA-N 2 0 249.358 1.589 20 0 BDADRP Cc1ccncc1CN1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205076341 967326463 /nfs/dbraw/zinc/32/64/63/967326463.db2.gz SMDDXYCBHJYJQQ-AAEUAGOBSA-N 2 0 219.332 1.702 20 0 BDADRP C[C@H]1CC[C@@H](C[NH3+])N1Cc1cccc2c[nH+]cn21 ZINC001205088773 967337151 /nfs/dbraw/zinc/33/71/51/967337151.db2.gz SUNKOMDTLOFLIB-RYUDHWBXSA-N 2 0 244.342 1.646 20 0 BDADRP Nc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)cc1F ZINC001205124344 967369564 /nfs/dbraw/zinc/36/95/64/967369564.db2.gz OPWJFHKHCLJEGX-LLVKDONJSA-N 2 0 237.322 1.721 20 0 BDADRP [NH3+]Cc1cccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205124105 967369700 /nfs/dbraw/zinc/36/97/00/967369700.db2.gz KFULKOVTKLYWMT-AWEZNQCLSA-N 3 0 233.359 1.459 20 0 BDADRP C[C@H]1C[N@H+](CCC2CC[NH+](C)CC2)C[C@H]1C[NH3+] ZINC001205131403 967375996 /nfs/dbraw/zinc/37/59/96/967375996.db2.gz XWNNOCWWJHWHPM-GXTWGEPZSA-N 3 0 239.407 1.245 20 0 BDADRP C[NH+](C)CCCN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693698714 967390186 /nfs/dbraw/zinc/39/01/86/967390186.db2.gz OQVZVOXORFDNRI-FRRDWIJNSA-N 2 0 239.407 1.304 20 0 BDADRP [NH3+]CCCC[NH+]1CCC2(CCOC2)CC1 ZINC001205164732 967405258 /nfs/dbraw/zinc/40/52/58/967405258.db2.gz RBONJAYXJPNGOA-UHFFFAOYSA-N 2 0 212.337 1.228 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1CC1C[C@H](C)O[C@@H](C)C1 ZINC001205177140 967413184 /nfs/dbraw/zinc/41/31/84/967413184.db2.gz AIOMVYSEDCIMTE-MEWQQHAOSA-N 2 0 226.364 1.612 20 0 BDADRP CCCCCC[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205210111 967429558 /nfs/dbraw/zinc/42/95/58/967429558.db2.gz MSJITOKQTVPOSA-ZDUSSCGKSA-N 2 0 228.380 1.742 20 0 BDADRP Cc1cccc(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)n1 ZINC001205209428 967430391 /nfs/dbraw/zinc/43/03/91/967430391.db2.gz JITXGDPTLOAZAO-AWEZNQCLSA-N 2 0 249.358 1.066 20 0 BDADRP C[C@@]1([NH3+])CCC[N@H+](Cc2ccnc(N)c2)CC1 ZINC001205280641 967470328 /nfs/dbraw/zinc/47/03/28/967470328.db2.gz FARNZECQEDMIML-CYBMUJFWSA-N 2 0 234.347 1.367 20 0 BDADRP Cc1ccc(O)c(C[N@@H+]2CCC[C@](C)([NH3+])CC2)n1 ZINC001205280699 967470924 /nfs/dbraw/zinc/47/09/24/967470924.db2.gz GOYFUCLNYLEYOL-AWEZNQCLSA-N 2 0 249.358 1.799 20 0 BDADRP Cc1nc(C)c(C[N@@H+]2CCC[C@](C)([NH3+])CC2)o1 ZINC001205288371 967480091 /nfs/dbraw/zinc/48/00/91/967480091.db2.gz JUUDPWRIGBDFPX-ZDUSSCGKSA-N 2 0 237.347 1.995 20 0 BDADRP C[C@H]1CC[N@H+](CC2(C)CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC001205296174 967495947 /nfs/dbraw/zinc/49/59/47/967495947.db2.gz IIFZAYAWHVMGAL-QWHCGFSZSA-N 3 0 239.407 1.293 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@H]1Cc2cccc(Cl)c2C1 ZINC001168704804 967549367 /nfs/dbraw/zinc/54/93/67/967549367.db2.gz PFHIPXGATBNXCN-KOLCDFICSA-N 2 0 238.762 1.992 20 0 BDADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2ccnnc2)CC1 ZINC001205559263 967696732 /nfs/dbraw/zinc/69/67/32/967696732.db2.gz PPABTVTXKNYXCZ-LBPRGKRZSA-N 2 0 238.310 1.130 20 0 BDADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2cnco2)CC1 ZINC001205570081 967698341 /nfs/dbraw/zinc/69/83/41/967698341.db2.gz FCTXCYFOGXWXOY-NSHDSACASA-N 2 0 227.283 1.328 20 0 BDADRP Cc1nc[nH]c1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205602804 967718135 /nfs/dbraw/zinc/71/81/35/967718135.db2.gz MPERNXQAPXPPTD-PWSUYJOCSA-N 2 0 236.363 1.525 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@H]2CCCOC2)CC[C@@H]1C[NH3+] ZINC001205600505 967718823 /nfs/dbraw/zinc/71/88/23/967718823.db2.gz CCMDDPBWFVYFIZ-MGPQQGTHSA-N 2 0 240.391 1.720 20 0 BDADRP C[C@H]1CC[N@H+](CCCCC[NH3+])CC[C@H]1C[NH3+] ZINC001205602801 967719227 /nfs/dbraw/zinc/71/92/27/967719227.db2.gz MOUGQKVKWIXZKG-STQMWFEESA-N 3 0 227.396 1.422 20 0 BDADRP C[C@H]1CC[N@H+](CC2(C)COC2)CC[C@H]1C[NH3+] ZINC001205603111 967719767 /nfs/dbraw/zinc/71/97/67/967719767.db2.gz NRVBGIMSTOSIGD-RYUDHWBXSA-N 2 0 226.364 1.330 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2ncccc2N)CC[C@H]1C[NH3+] ZINC001205616243 967727174 /nfs/dbraw/zinc/72/71/74/967727174.db2.gz DSKAHALXXYKIGS-NEPJUHHUSA-N 2 0 248.374 1.471 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2ccnnc2)CC[C@@H]1C[NH3+] ZINC001205627094 967735825 /nfs/dbraw/zinc/73/58/25/967735825.db2.gz MNHRECAKUNMDJC-DGCLKSJQSA-N 2 0 234.347 1.283 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2ccncc2N)CC[C@H]1C[NH3+] ZINC001205626953 967737644 /nfs/dbraw/zinc/73/76/44/967737644.db2.gz KXSIZYGVGYLMHU-NEPJUHHUSA-N 2 0 248.374 1.471 20 0 BDADRP C[C@@H]1[C@H](C[NH3+])CCCN1C[C@@H]1CCCC[NH2+]1 ZINC001205902578 967879244 /nfs/dbraw/zinc/87/92/44/967879244.db2.gz KRBJXOLSTQDZMU-AGIUHOORSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1CCCCCO ZINC001205902256 967880348 /nfs/dbraw/zinc/88/03/48/967880348.db2.gz JIMWHUVPZNFNAP-VXGBXAGGSA-N 2 0 214.353 1.208 20 0 BDADRP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1CC1(C)CC[NH2+]CC1 ZINC001205903034 967880660 /nfs/dbraw/zinc/88/06/60/967880660.db2.gz NDRCOINVFWPWEK-QWHCGFSZSA-N 3 0 239.407 1.435 20 0 BDADRP C[C@@H]1[C@@H](C[NH3+])CCCN1CC[C@@H]1CCCC[NH2+]1 ZINC001205903480 967881452 /nfs/dbraw/zinc/88/14/52/967881452.db2.gz PNNYGUAHGSBADK-MCIONIFRSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cccc(C[NH3+])c1 ZINC001205916195 967884074 /nfs/dbraw/zinc/88/40/74/967884074.db2.gz SRAYNWBVCYMSAX-DOMZBBRYSA-N 3 0 247.386 1.705 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cn[nH]c2)CCC[C@@H]1C[NH3+] ZINC001205981824 967920744 /nfs/dbraw/zinc/92/07/44/967920744.db2.gz HPPWMDDSTCGRHO-ZYHUDNBSSA-N 2 0 222.336 1.217 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCOC2)CCC[C@H]1C[NH3+] ZINC001205985618 967930859 /nfs/dbraw/zinc/93/08/59/967930859.db2.gz YZOUREBUGYTQEL-AGIUHOORSA-N 2 0 226.364 1.330 20 0 BDADRP C[C@@H]1C[N@H+](CCCCCC[NH3+])CCC[C@@H]1C[NH3+] ZINC001205985664 967938179 /nfs/dbraw/zinc/93/81/79/967938179.db2.gz ZKONAMMIJGWNKW-ZIAGYGMSSA-N 3 0 241.423 1.812 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cnccc2N)CCC[C@H]1C[NH3+] ZINC001205996595 967950555 /nfs/dbraw/zinc/95/05/55/967950555.db2.gz XONNXTJFDITQNB-NEPJUHHUSA-N 2 0 248.374 1.301 20 0 BDADRP C[C@H]1C[N@H+](Cc2nccs2)CCC[C@H]1C[NH3+] ZINC001205992926 967952976 /nfs/dbraw/zinc/95/29/76/967952976.db2.gz GFIAOJLOJIKNQU-QWRGUYRKSA-N 2 0 239.388 1.950 20 0 BDADRP C[C@@H]1C[N@H+](Cc2c[nH]ccc2=O)CCC[C@@H]1C[NH3+] ZINC001206026262 967984804 /nfs/dbraw/zinc/98/48/04/967984804.db2.gz RDNGAVFNEYZMEQ-VXGBXAGGSA-N 2 0 249.358 1.182 20 0 BDADRP CCOCC[N@H+](CC)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699224713 968074151 /nfs/dbraw/zinc/07/41/51/968074151.db2.gz ARMCVJDALPMVIR-AGUYFDCRSA-N 2 0 240.391 1.875 20 0 BDADRP [NH3+][C@H]1CC[N@H+](Cc2ccc(O)cc2)CC[C@H]1F ZINC001206163525 968102468 /nfs/dbraw/zinc/10/24/68/968102468.db2.gz DEMOOEZOKVEPQP-OLZOCXBDSA-N 2 0 238.306 1.653 20 0 BDADRP C[C@H]1C[NH2+]CCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001206257285 968175134 /nfs/dbraw/zinc/17/51/34/968175134.db2.gz AFAZDCHLGAENHZ-STQMWFEESA-N 3 0 225.380 1.060 20 0 BDADRP C[C@H]1C[NH2+]CCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC001206257387 968175990 /nfs/dbraw/zinc/17/59/90/968175990.db2.gz CGQOTHJZURIJAH-LBPRGKRZSA-N 2 0 225.380 1.060 20 0 BDADRP CC1(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)COC1 ZINC001206292485 968203954 /nfs/dbraw/zinc/20/39/54/968203954.db2.gz BVBGGYAPCJNUFX-LBPRGKRZSA-N 2 0 226.364 1.474 20 0 BDADRP Cc1c[nH]c(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)n1 ZINC001206303591 968211100 /nfs/dbraw/zinc/21/11/00/968211100.db2.gz DKMORIHFUJRWPG-CYBMUJFWSA-N 2 0 236.363 1.669 20 0 BDADRP Cc1cnc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)cn1 ZINC001206305402 968215822 /nfs/dbraw/zinc/21/58/22/968215822.db2.gz YJRJSPWLIDBJEZ-CQSZACIVSA-N 2 0 248.374 1.736 20 0 BDADRP Cc1cnc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)nc1 ZINC001206327909 968235490 /nfs/dbraw/zinc/23/54/90/968235490.db2.gz ZXACNUAJTOTEQO-CQSZACIVSA-N 2 0 248.374 1.736 20 0 BDADRP Cc1c[nH+]c(N2C[C@@H](C[NH3+])CC[C@@H]2C)cc1N ZINC001164467533 968236168 /nfs/dbraw/zinc/23/61/68/968236168.db2.gz JFLZGABWMSMOTM-WDEREUQCSA-N 2 0 234.347 1.536 20 0 BDADRP Cc1ccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(C)c1 ZINC001206511811 968345802 /nfs/dbraw/zinc/34/58/02/968345802.db2.gz CEQLIKSSLJIFKG-KBPBESRZSA-N 2 0 234.343 1.055 20 0 BDADRP Cc1n[nH]cc1C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206548140 968372969 /nfs/dbraw/zinc/37/29/69/968372969.db2.gz HMDOFKSJXPEJLT-ZDUSSCGKSA-N 2 0 236.363 1.669 20 0 BDADRP C[C@]1(C[NH3+])CCCCN(Cc2c[nH+]ccc2N)C1 ZINC001206550124 968377465 /nfs/dbraw/zinc/37/74/65/968377465.db2.gz VSFCJJWHWFVQMD-CQSZACIVSA-N 2 0 248.374 1.445 20 0 BDADRP C[NH+](C)CC(C)(C)CN1CCCC[C@H](C[NH3+])C1 ZINC001206606535 968415422 /nfs/dbraw/zinc/41/54/22/968415422.db2.gz OKWOYONATJDZRG-CYBMUJFWSA-N 3 0 241.423 1.635 20 0 BDADRP [NH3+]C[C@@H]1CCCCN(Cc2ccncc2F)C1 ZINC001206616425 968420170 /nfs/dbraw/zinc/42/01/70/968420170.db2.gz OAOQRLKBXGTKJE-NSHDSACASA-N 2 0 237.322 1.782 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H]2C[C@]2(C)OC)CC1 ZINC001206734554 968448814 /nfs/dbraw/zinc/44/88/14/968448814.db2.gz JIRDVJXRTCIXEV-OLZOCXBDSA-N 2 0 226.364 1.485 20 0 BDADRP C[NH+](C)CC(C)(C)CNc1ccnc(C[NH3+])c1 ZINC001168768233 968569523 /nfs/dbraw/zinc/56/95/23/968569523.db2.gz ATNVCLZWHQGBTB-UHFFFAOYSA-N 2 0 236.363 1.540 20 0 BDADRP CCCC[C@@H](O)C[NH2+][C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001252116752 968602977 /nfs/dbraw/zinc/60/29/77/968602977.db2.gz QSWQSZVPKAPVTQ-MGPQQGTHSA-N 2 0 242.407 2.000 20 0 BDADRP Cc1ncccc1C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001207153778 968661679 /nfs/dbraw/zinc/66/16/79/968661679.db2.gz LACFTTHFEXICDI-UHFFFAOYSA-N 2 0 245.370 1.918 20 0 BDADRP CO[C@@H]1CCC[N@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207275034 968706896 /nfs/dbraw/zinc/70/68/96/968706896.db2.gz ISFLMQYNQGQUFL-GFCCVEGCSA-N 2 0 228.380 1.685 20 0 BDADRP COC1(C)C[NH+](CC2CC[NH+](C)CC2)C1 ZINC001207391296 968744447 /nfs/dbraw/zinc/74/44/47/968744447.db2.gz CHMZPEQBIQDRIO-UHFFFAOYSA-N 2 0 212.337 1.049 20 0 BDADRP C[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)CCCC1=O ZINC001207391619 968745140 /nfs/dbraw/zinc/74/51/40/968745140.db2.gz JGJNRZYVVFAKMB-GFCCVEGCSA-N 2 0 238.375 1.629 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCCC3(COC3)C2)CC1 ZINC001207395037 968753164 /nfs/dbraw/zinc/75/31/64/968753164.db2.gz OHPQGOZAKRHZPT-UHFFFAOYSA-N 2 0 238.375 1.441 20 0 BDADRP CCCCOC1C[NH+](CC2CC[NH2+]CC2)C1 ZINC001207437143 968768467 /nfs/dbraw/zinc/76/84/67/968768467.db2.gz AHVAYSRTAXZAOZ-UHFFFAOYSA-N 2 0 226.364 1.487 20 0 BDADRP FC1(F)C[C@@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@@H]21 ZINC001207435947 968769236 /nfs/dbraw/zinc/76/92/36/968769236.db2.gz PKOWXJACUZHTCU-MNOVXSKESA-N 2 0 230.302 1.573 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@@]2(C1)CCCCO2 ZINC001207435430 968770737 /nfs/dbraw/zinc/77/07/37/968770737.db2.gz FCMNHDZXRDHTHJ-CQSZACIVSA-N 2 0 238.375 1.631 20 0 BDADRP F[C@@H]1C[C@@H]2C[C@H]1C[N@@H+]2CC1CC[NH2+]CC1 ZINC001207437325 968771024 /nfs/dbraw/zinc/77/10/24/968771024.db2.gz TUXBSJXNRFZWSO-SDDRHHMPSA-N 2 0 212.312 1.418 20 0 BDADRP C(C1CC[NH2+]CC1)[NH+]1CC2(CSC2)C1 ZINC001207441631 968775259 /nfs/dbraw/zinc/77/52/59/968775259.db2.gz HKKTXNDFTRVDKZ-UHFFFAOYSA-N 2 0 212.362 1.035 20 0 BDADRP CN(C)CC[N@H+](C)CCC1CC[NH+](C)CC1 ZINC001207479580 968792705 /nfs/dbraw/zinc/79/27/05/968792705.db2.gz KJSVZJXUUCWTJB-UHFFFAOYSA-N 2 0 227.396 1.212 20 0 BDADRP C[C@H]1C[N@H+](CCC2CC[NH+](C)CC2)C[C@H]1O ZINC001207479732 968793068 /nfs/dbraw/zinc/79/30/68/968793068.db2.gz MDYSNFBUYCERIB-WCQYABFASA-N 2 0 226.364 1.031 20 0 BDADRP C[NH+]1CCC(CC[N@@H+]2CC[C@@](C)(CO)C2)CC1 ZINC001207479447 968795368 /nfs/dbraw/zinc/79/53/68/968795368.db2.gz IZLBOKNCYNXZMX-CQSZACIVSA-N 2 0 240.391 1.423 20 0 BDADRP C[NH+]1CCC(CC[NH+]2CC3(CSC3)C2)CC1 ZINC001207488167 968802540 /nfs/dbraw/zinc/80/25/40/968802540.db2.gz HGTGGZCOWIUJKJ-UHFFFAOYSA-N 2 0 240.416 1.767 20 0 BDADRP COC1CC(C[NH2+]C[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001207724291 968869026 /nfs/dbraw/zinc/86/90/26/968869026.db2.gz WCBKOCFHQUOZEW-HRDQMINSSA-N 2 0 238.375 1.343 20 0 BDADRP COC1CC([NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)C1 ZINC001207836616 968896512 /nfs/dbraw/zinc/89/65/12/968896512.db2.gz KARBTFVSPVSBSF-UHYZFRFASA-N 2 0 224.348 1.094 20 0 BDADRP C[NH+](C)C[C@@]12C[C@@H]1CN(C[C@H]1CCCO1)C2 ZINC001207894467 968919362 /nfs/dbraw/zinc/91/93/62/968919362.db2.gz MWNINHMEYUSDEW-JHJVBQTASA-N 2 0 224.348 1.049 20 0 BDADRP CCC[C@@H](O)C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001252789093 968967400 /nfs/dbraw/zinc/96/74/00/968967400.db2.gz MQALUCFSLDIJMG-GFCCVEGCSA-N 2 0 226.364 1.175 20 0 BDADRP CCC[C@H](O)C[NH2+]CCCC[NH+]1CCCC1 ZINC001252799237 968982443 /nfs/dbraw/zinc/98/24/43/968982443.db2.gz SSCOTHQSPHBKHG-ZDUSSCGKSA-N 2 0 228.380 1.613 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[C@@H]2O)C12CCC2 ZINC000405345436 968985448 /nfs/dbraw/zinc/98/54/48/968985448.db2.gz KPXRNNGFPZOIHF-XQHKEYJVSA-N 2 0 238.375 1.397 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2O)C12CCC2 ZINC000405352357 968987011 /nfs/dbraw/zinc/98/70/11/968987011.db2.gz OYFNWXMBSCAGOF-KKOKHZNYSA-N 2 0 224.348 1.149 20 0 BDADRP CCC[C@H](O)C[NH2+][C@H]1CC[N@@H+](C(C)C)C[C@@H]1C ZINC001252808002 968994382 /nfs/dbraw/zinc/99/43/82/968994382.db2.gz AVFVVQZLFSRJTQ-IHRRRGAJSA-N 2 0 242.407 1.856 20 0 BDADRP CC[N@H+](CCOC)CC1(C)CC[NH+](C)CC1 ZINC001208102242 968994381 /nfs/dbraw/zinc/99/43/81/968994381.db2.gz CRTKMPITLMXYHG-UHFFFAOYSA-N 2 0 228.380 1.687 20 0 BDADRP C[C@@H]1C[N@H+](CC2(C)CC[NH+](C)CC2)[C@H](C)CO1 ZINC001208108697 969001122 /nfs/dbraw/zinc/00/11/22/969001122.db2.gz HALLVBAMHAOGEN-CHWSQXEVSA-N 2 0 240.391 1.828 20 0 BDADRP C[C@H]1COCC[N@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208106549 969001722 /nfs/dbraw/zinc/00/17/22/969001722.db2.gz GOAZKWAHEUMLOR-CYBMUJFWSA-N 2 0 240.391 1.687 20 0 BDADRP CO[C@@H]1CC[N@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208105599 969003923 /nfs/dbraw/zinc/00/39/23/969003923.db2.gz ABVNJKIRVJLBQK-GFCCVEGCSA-N 2 0 226.364 1.439 20 0 BDADRP C[N@H+](Cc1ccno1)CC1(C)CC[NH+](C)CC1 ZINC001208110347 969006460 /nfs/dbraw/zinc/00/64/60/969006460.db2.gz BCBKIZDHLPXREZ-UHFFFAOYSA-N 2 0 237.347 1.838 20 0 BDADRP C[NH+]1CCC(C)(C[N@@H+]2CCC[C@@](C)(O)C2)CC1 ZINC001208114426 969006893 /nfs/dbraw/zinc/00/68/93/969006893.db2.gz WLNBNGBCTNJHHO-CQSZACIVSA-N 2 0 240.391 1.565 20 0 BDADRP C[NH+]1CCC(C)(C[N@@H+]2CCN3CC[C@@H]3C2)CC1 ZINC001208116534 969010376 /nfs/dbraw/zinc/01/03/76/969010376.db2.gz XHDLBDYEBRCETG-CYBMUJFWSA-N 2 0 237.391 1.108 20 0 BDADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@H]1CC1(C)C ZINC001253407718 969162240 /nfs/dbraw/zinc/16/22/40/969162240.db2.gz OLCAJWMQKARFFT-UWVGGRQHSA-N 2 0 214.353 1.124 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CC[C@@H](F)[C@H](O)C2)CC1 ZINC001208592223 969146451 /nfs/dbraw/zinc/14/64/51/969146451.db2.gz FFSUEQFGTFSUGV-CHWSQXEVSA-N 2 0 244.354 1.123 20 0 BDADRP CCC[N@H+](CCOC)C[C@H](O)C[NH2+]C(C)(C)C ZINC001253384839 969149433 /nfs/dbraw/zinc/14/94/33/969149433.db2.gz JMHQYSSKCJHKBB-GFCCVEGCSA-N 2 0 246.395 1.094 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2C[C@@H]3C[C@H]2CN3C)CC1 ZINC001208602050 969157913 /nfs/dbraw/zinc/15/79/13/969157913.db2.gz WIYQPNPPOWKCFM-KBPBESRZSA-N 2 0 237.391 1.107 20 0 BDADRP COC[C@H]1CC[N@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208606887 969163494 /nfs/dbraw/zinc/16/34/94/969163494.db2.gz ISJKHNQUTYOZEV-OLZOCXBDSA-N 2 0 226.364 1.297 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH+]2CCC3(COC3)C2)C1 ZINC001208608204 969164301 /nfs/dbraw/zinc/16/43/01/969164301.db2.gz RVGCNAGISKYXTQ-GFCCVEGCSA-N 2 0 224.348 1.051 20 0 BDADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@@H]1CC=CCC1 ZINC001253410661 969166544 /nfs/dbraw/zinc/16/65/44/969166544.db2.gz OVDWULFWOCHDER-NEPJUHHUSA-N 2 0 226.364 1.434 20 0 BDADRP CC(C)O[C@H]1CC[N@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208618202 969177940 /nfs/dbraw/zinc/17/79/40/969177940.db2.gz SMRSZLNZFAUNQK-KGLIPLIRSA-N 2 0 240.391 1.828 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)C1CC[NH+](C)CC1 ZINC000051996081 969181216 /nfs/dbraw/zinc/18/12/16/969181216.db2.gz APNAUCCACIYWCS-XBFCOCLRSA-N 2 0 240.391 1.610 20 0 BDADRP [NH3+][C@@H]1CCc2nn(-c3cc[nH+]cc3)cc2C1 ZINC001168805063 969218878 /nfs/dbraw/zinc/21/88/78/969218878.db2.gz VBJUTIIVZFXTNB-SNVBAGLBSA-N 2 0 214.272 1.083 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccccn2)CCC[C@H]1C[NH3+] ZINC001205993140 969224020 /nfs/dbraw/zinc/22/40/20/969224020.db2.gz HIFURAUWABYOMJ-OLZOCXBDSA-N 2 0 233.359 1.888 20 0 BDADRP [NH3+]CCN(c1cc[nH+]cc1)c1cccnc1 ZINC001168831940 969228180 /nfs/dbraw/zinc/22/81/80/969228180.db2.gz NZTODFRXDALVKC-UHFFFAOYSA-N 2 0 214.272 1.573 20 0 BDADRP CCCCC[C@H](O)C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC001253562501 969235113 /nfs/dbraw/zinc/23/51/13/969235113.db2.gz DMPHZZITQXSBRS-RDBSUJKOSA-N 2 0 242.407 1.857 20 0 BDADRP [NH3+]CCc1cnn(-c2cc[nH+]c(C3CC3)c2)c1 ZINC001168952093 969292997 /nfs/dbraw/zinc/29/29/97/969292997.db2.gz DIXZFQBMRJQOKI-UHFFFAOYSA-N 2 0 228.299 1.646 20 0 BDADRP CCOC(C)(C)C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001209076232 969350395 /nfs/dbraw/zinc/35/03/95/969350395.db2.gz DZFCMBRSANIOFY-UHFFFAOYSA-N 2 0 240.391 1.829 20 0 BDADRP CC(C)(C)[C@H](O)C[NH2+]CCCC[NH+]1CCCC1 ZINC001253740707 969359374 /nfs/dbraw/zinc/35/93/74/969359374.db2.gz IQYLZCJHNXGNAQ-CYBMUJFWSA-N 2 0 242.407 1.859 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H]1CC(C)(C)O1)C2 ZINC001169097539 969391475 /nfs/dbraw/zinc/39/14/75/969391475.db2.gz BCTUKMLGMRHLMC-RNJOBUHISA-N 2 0 238.375 1.769 20 0 BDADRP CC(C)OCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169080978 969402907 /nfs/dbraw/zinc/40/29/07/969402907.db2.gz OJPDRTFSYHQQKT-CLLJXQQHSA-N 2 0 226.364 1.626 20 0 BDADRP COC(=O)CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169079801 969404071 /nfs/dbraw/zinc/40/40/71/969404071.db2.gz LQNRJDGBZPPRDV-CNDDSTCGSA-N 2 0 240.347 1.154 20 0 BDADRP CC(C)[C@@H](O)C[NH2+][C@H]1CC[C@@H]([NH+](C)C)CC1 ZINC001253790787 969409394 /nfs/dbraw/zinc/40/93/94/969409394.db2.gz VGGSDYFGVOEYGB-XQQFMLRXSA-N 2 0 228.380 1.466 20 0 BDADRP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](NC[C@@H]1CCC[N@H+]1C)C2 ZINC001169090678 969409448 /nfs/dbraw/zinc/40/94/48/969409448.db2.gz KPVJYQLYUFYEDH-CRWXNKLISA-N 2 0 237.391 1.295 20 0 BDADRP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H]1CCCO1 ZINC001169123082 969422256 /nfs/dbraw/zinc/42/22/56/969422256.db2.gz ISEFRBAIUMNGSI-HPCHECBXSA-N 2 0 238.375 1.769 20 0 BDADRP C[N@H+](CC1CC1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169124524 969427888 /nfs/dbraw/zinc/42/78/88/969427888.db2.gz DSNHBJOURZZKKS-ITGUQSILSA-N 2 0 208.349 1.953 20 0 BDADRP COC[C@H]1CCC[N@@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169126421 969432640 /nfs/dbraw/zinc/43/26/40/969432640.db2.gz SVOXVWLFCBSXJE-XJFOESAGSA-N 2 0 238.375 1.722 20 0 BDADRP COC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CC1 ZINC001169109304 969447896 /nfs/dbraw/zinc/44/78/96/969447896.db2.gz AFNADMDTOBMMOV-FQUUOJAGSA-N 2 0 238.375 1.626 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1C[C@H](O)C1(C)C)C2 ZINC001169114091 969453538 /nfs/dbraw/zinc/45/35/38/969453538.db2.gz WQQMHYKTLKRCPD-PPCPHDFISA-N 2 0 238.375 1.361 20 0 BDADRP C[C@@H]1C[C@H](O)CC[N@@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169142177 969454876 /nfs/dbraw/zinc/45/48/76/969454876.db2.gz AJBVOQUIMZROFI-RKQHYHRCSA-N 2 0 238.375 1.457 20 0 BDADRP C[N@H+]([C@H]1CCCOC1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169160887 969481314 /nfs/dbraw/zinc/48/13/14/969481314.db2.gz MGHIVTCZMGFTMD-CRWXNKLISA-N 2 0 238.375 1.722 20 0 BDADRP CC(C)c1cn(CCCC[NH2+]CCC[NH3+])nn1 ZINC001254163723 969533539 /nfs/dbraw/zinc/53/35/39/969533539.db2.gz WSZOEHVFVUSRGK-UHFFFAOYSA-N 2 0 239.367 1.120 20 0 BDADRP CC[NH+]1CCC(N(C)[C@H]2CC[N@H+](C)C2)CC1 ZINC001169258734 969544543 /nfs/dbraw/zinc/54/45/43/969544543.db2.gz PJVJMLGVCRBDKA-ZDUSSCGKSA-N 2 0 225.380 1.107 20 0 BDADRP [NH3+]Cc1cnnn1-c1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC001169309852 969586302 /nfs/dbraw/zinc/58/63/02/969586302.db2.gz MAXWHKKGDHRKOX-ZDUSSCGKSA-N 2 0 243.314 1.151 20 0 BDADRP C[NH+](C)[C@H]1CCCN(Cc2c[nH+]ccc2N)C1 ZINC001209730637 969586473 /nfs/dbraw/zinc/58/64/73/969586473.db2.gz DSTRQUMPIORFSZ-LBPRGKRZSA-N 2 0 234.347 1.020 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CC[C@@H](CO)CC2)CC1 ZINC001254502535 969667048 /nfs/dbraw/zinc/66/70/48/969667048.db2.gz FKMWYZUPZOSYSQ-MCIONIFRSA-N 2 0 240.391 1.611 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2C[C@@H](F)C2)CC1 ZINC001254502807 969669293 /nfs/dbraw/zinc/66/92/93/969669293.db2.gz HFXMCIWAVABMMS-MXWKQRLJSA-N 2 0 200.301 1.561 20 0 BDADRP CN1CCC[C@@](C)([NH2+][C@H]2CCC[N@H+](C)CC2)C1 ZINC001254512774 969677991 /nfs/dbraw/zinc/67/79/91/969677991.db2.gz RMAKGTIULXNLCM-UONOGXRCSA-N 2 0 239.407 1.545 20 0 BDADRP CN1CCC[C@](C)([NH2+][C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254512773 969678437 /nfs/dbraw/zinc/67/84/37/969678437.db2.gz RMAKGTIULXNLCM-KGLIPLIRSA-N 2 0 239.407 1.545 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](C)N1Cc1ccc2c(c1)C[NH2+]C2 ZINC001209887163 969680362 /nfs/dbraw/zinc/68/03/62/969680362.db2.gz RFRPXIBYIRIHMT-TXEJJXNPSA-N 2 0 245.370 1.472 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+][C@H]2C[C@]23CCCOC3)CC1 ZINC001254511956 969681438 /nfs/dbraw/zinc/68/14/38/969681438.db2.gz HJSZXVAOFAWXHY-IHRRRGAJSA-N 2 0 238.375 1.629 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2C[C@@]23CCCOC3)CC1 ZINC001254511932 969681904 /nfs/dbraw/zinc/68/19/04/969681904.db2.gz HJSZXVAOFAWXHY-BFHYXJOUSA-N 2 0 238.375 1.629 20 0 BDADRP COC[C@@H]1CCCC[N@@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254515690 969685003 /nfs/dbraw/zinc/68/50/03/969685003.db2.gz AYJLHBLYEUEKEZ-KBPBESRZSA-N 2 0 240.391 1.972 20 0 BDADRP C[N@H+](CC1CCOCC1)[C@H]1CCC[NH+](C)CC1 ZINC001254516182 969687187 /nfs/dbraw/zinc/68/71/87/969687187.db2.gz KCYLRTGNYQUCHG-AWEZNQCLSA-N 2 0 240.391 1.829 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH+]2CCC[C@@H](O)CC2)CC1 ZINC001254516460 969688751 /nfs/dbraw/zinc/68/87/51/969688751.db2.gz MPMTZMSEJRHHLA-CHWSQXEVSA-N 2 0 226.364 1.318 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+]CCOc2ccncc2)CC1 ZINC001254515330 969689063 /nfs/dbraw/zinc/68/90/63/969689063.db2.gz WEYLHJWDHFQLBK-CYBMUJFWSA-N 2 0 249.358 1.534 20 0 BDADRP C[N@@H+]1CCC[C@H](n2cnc3c2C[NH2+]CC3)CC1 ZINC001254515825 969691387 /nfs/dbraw/zinc/69/13/87/969691387.db2.gz DQRFWFPVBIHSDU-NSHDSACASA-N 2 0 234.347 1.186 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+]C[C@@H](O)c2ccncc2)CC1 ZINC001254514035 969692673 /nfs/dbraw/zinc/69/26/73/969692673.db2.gz IOSFZCKXGDZUBC-ZIAGYGMSSA-N 2 0 249.358 1.189 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH+]2CCCC[C@@H](O)C2)CC1 ZINC001254517290 969693956 /nfs/dbraw/zinc/69/39/56/969693956.db2.gz UATRGTGFXYZSNS-QWHCGFSZSA-N 2 0 226.364 1.318 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH+]2CCC3(CC3)C2)CC1 ZINC001254519680 969694212 /nfs/dbraw/zinc/69/42/12/969694212.db2.gz JUHNYYUQIRXOTN-GFCCVEGCSA-N 2 0 208.349 1.957 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH+]2CC3(C2)CCOCC3)CC1 ZINC001254522557 969706515 /nfs/dbraw/zinc/70/65/15/969706515.db2.gz HBRVGIGBDQBNLQ-ZDUSSCGKSA-N 2 0 238.375 1.583 20 0 BDADRP CCO[C@H]1CCC[N@@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254523769 969712119 /nfs/dbraw/zinc/71/21/19/969712119.db2.gz RKQAQOZHVLQDGS-KBPBESRZSA-N 2 0 240.391 1.972 20 0 BDADRP C[N@@H+]1CCC[C@@H](N2C[C@@H]3C[C@@H]3[C@H](F)C2)CC1 ZINC001254521769 969713064 /nfs/dbraw/zinc/71/30/64/969713064.db2.gz XFQUDSXJVGXPMF-QNWHQSFQSA-N 2 0 226.339 1.761 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1CN([C@H]1CCC[NH+](C)CC1)C2 ZINC001254529861 969729444 /nfs/dbraw/zinc/72/94/44/969729444.db2.gz RTECDAVKWKXICE-MELADBBJSA-N 2 0 237.391 1.249 20 0 BDADRP CC(=O)N1CCC[C@@H]([N@@H+](CCC[NH3+])C(C)C)C1 ZINC001169574298 969773743 /nfs/dbraw/zinc/77/37/43/969773743.db2.gz NKQUJUNOVCRRBA-CYBMUJFWSA-N 2 0 241.379 1.057 20 0 BDADRP C1C[C@@H]2CN([C@H]3CC4CC[NH+](CC4)C3)CC[N@@H+]2C1 ZINC001254862059 969810674 /nfs/dbraw/zinc/81/06/74/969810674.db2.gz GXZZMBVGLQQODB-CABCVRRESA-N 2 0 249.402 1.251 20 0 BDADRP COC[C@@H]1CC[N@@H+]1[C@@H]1CC2CCN(CC2)C1 ZINC001254865231 969814373 /nfs/dbraw/zinc/81/43/73/969814373.db2.gz CDDNCFQTRLSMAG-QWHCGFSZSA-N 2 0 224.348 1.191 20 0 BDADRP [NH3+]CCSCC[NH2+][C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254936596 969824462 /nfs/dbraw/zinc/82/44/62/969824462.db2.gz VNRXLEOOHMUYRK-URLYPYJESA-N 2 0 242.388 1.026 20 0 BDADRP Cc1c(F)ccnc1N1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001156385734 969868592 /nfs/dbraw/zinc/86/85/92/969868592.db2.gz QGWZZMOEVJMLCR-BXUZGUMPSA-N 2 0 249.333 1.917 20 0 BDADRP F[C@H]1C[NH2+]CCN(Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC001210610678 969978897 /nfs/dbraw/zinc/97/88/97/969978897.db2.gz NSJQVQYPXAIPIU-AWEZNQCLSA-N 2 0 249.333 1.033 20 0 BDADRP CCC[N@H+](CCC[NH3+])[C@H]1CCSC1 ZINC001255268303 970020614 /nfs/dbraw/zinc/02/06/14/970020614.db2.gz DKKLCOJMAXSYGT-JTQLQIEISA-N 2 0 202.367 1.553 20 0 BDADRP CN(c1cnccc1/C=C/[NH+](C)C)C(C)(C)C[NH3+] ZINC001170060366 970117268 /nfs/dbraw/zinc/11/72/68/970117268.db2.gz NSKNTOYBBSGIJV-VQHVLOKHSA-N 2 0 248.374 1.787 20 0 BDADRP CN(c1cc[nH+]c2c1ccn2C)C(C)(C)C[NH3+] ZINC001170059738 970117390 /nfs/dbraw/zinc/11/73/90/970117390.db2.gz VAUMADOFYMFZPX-UHFFFAOYSA-N 2 0 232.331 1.747 20 0 BDADRP CC(C)CCC[C@@H](C)[NH2+]CCOCC[NH3+] ZINC001170061543 970119855 /nfs/dbraw/zinc/11/98/55/970119855.db2.gz UANWGGRIVKVFLQ-GFCCVEGCSA-N 2 0 216.369 1.766 20 0 BDADRP CC(C)CCC[C@@H](C)[NH2+]CCN(C)CC[NH3+] ZINC001170064045 970127138 /nfs/dbraw/zinc/12/71/38/970127138.db2.gz KNALAVMGUKVUKE-CYBMUJFWSA-N 2 0 229.412 1.681 20 0 BDADRP C[N@@H+]1CC[C@H](n2ccc3cc(C[NH3+])cnc32)C1 ZINC001255412612 970131494 /nfs/dbraw/zinc/13/14/94/970131494.db2.gz TUYKWVYFHJIDHB-LBPRGKRZSA-N 2 0 230.315 1.372 20 0 BDADRP C[N@@H+]1CC[C@H](n2cc3cc(C[NH3+])ccc3n2)C1 ZINC001255412610 970131598 /nfs/dbraw/zinc/13/15/98/970131598.db2.gz TUNKCCUXCZLTHW-LBPRGKRZSA-N 2 0 230.315 1.372 20 0 BDADRP CCCC[N@H+](CC)CCN[C@H]1CC[NH+](C)C1 ZINC001255412140 970132026 /nfs/dbraw/zinc/13/20/26/970132026.db2.gz LLCPZINSDLWQCX-ZDUSSCGKSA-N 2 0 227.396 1.402 20 0 BDADRP C[N@@H+]1CC[C@@H](n2c3ccccc3nc2CC[NH3+])C1 ZINC001255413197 970133970 /nfs/dbraw/zinc/13/39/70/970133970.db2.gz UYWVVDYSCGPCRD-LLVKDONJSA-N 2 0 244.342 1.414 20 0 BDADRP CCN(CC[NH+](CC)CC)[C@@H]1CC[N@H+](C)C1 ZINC001255435635 970164636 /nfs/dbraw/zinc/16/46/36/970164636.db2.gz JRUBMXXTNFGPEQ-CYBMUJFWSA-N 2 0 227.396 1.354 20 0 BDADRP CCCCC[NH+]1CCN([C@H]2CC[N@H+](C)C2)CC1 ZINC001255437258 970166979 /nfs/dbraw/zinc/16/69/79/970166979.db2.gz ZLQDBLVEHBZZNP-AWEZNQCLSA-N 2 0 239.407 1.498 20 0 BDADRP C[NH2+]CCc1c(C)nn([C@H]2CC[N@H+](C)C2)c1C ZINC001255438479 970169400 /nfs/dbraw/zinc/16/94/00/970169400.db2.gz MOVQPLJYMGDZIP-LBPRGKRZSA-N 2 0 236.363 1.138 20 0 BDADRP C[NH2+]CCN([C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001255441645 970171125 /nfs/dbraw/zinc/17/11/25/970171125.db2.gz PUEDSSCNBMBEQO-NSHDSACASA-N 2 0 213.369 1.010 20 0 BDADRP C[N@@H+]1CCC[C@@H](N2C[C@@H]([NH3+])Cc3ccccc32)C1 ZINC001255468029 970193001 /nfs/dbraw/zinc/19/30/01/970193001.db2.gz OELLWORNEORRPN-UONOGXRCSA-N 2 0 245.370 1.471 20 0 BDADRP C[N@@H+]1CCC[C@H](Nc2cccc(F)c2C[NH3+])C1 ZINC001255467371 970194806 /nfs/dbraw/zinc/19/48/06/970194806.db2.gz BKFQRUVLOYTOEO-JTQLQIEISA-N 2 0 237.322 1.791 20 0 BDADRP C[N@@H+]1CCC[C@@H](n2c(C[NH3+])nc3cnccc32)C1 ZINC001255477000 970211475 /nfs/dbraw/zinc/21/14/75/970211475.db2.gz JEDJOJJEMGXKOR-SNVBAGLBSA-N 2 0 245.330 1.157 20 0 BDADRP CCN(CCC[NH+](C)C)[C@@H]1CCC[N@H+](C)C1 ZINC001255495947 970262646 /nfs/dbraw/zinc/26/26/46/970262646.db2.gz VSZBMFIORNVPCW-CYBMUJFWSA-N 2 0 227.396 1.354 20 0 BDADRP Cc1ccc(C[C@@H](C)[NH2+]CCN(C)CC[NH3+])cc1 ZINC001255782276 970485868 /nfs/dbraw/zinc/48/58/68/970485868.db2.gz XAECXQLFKAARDS-CQSZACIVSA-N 2 0 249.402 1.406 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]CC[C@H](C)O ZINC001255950743 970566341 /nfs/dbraw/zinc/56/63/41/970566341.db2.gz KOSJEKZFTWJVBI-RYUDHWBXSA-N 2 0 216.369 1.467 20 0 BDADRP CC[C@@H](CO)[NH2+][C@H](C)CC[NH+](CC)CC ZINC001255939172 970570330 /nfs/dbraw/zinc/57/03/30/970570330.db2.gz CTCUPHYNNVVIJQ-NEPJUHHUSA-N 2 0 216.369 1.467 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H]1CC[C@@H](O)C1 ZINC001255941390 970570546 /nfs/dbraw/zinc/57/05/46/970570546.db2.gz PQFKIOHOKXQDBH-FRRDWIJNSA-N 2 0 228.380 1.610 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC001255941876 970572119 /nfs/dbraw/zinc/57/21/19/970572119.db2.gz YSQGEMJRMMKJCW-BFHYXJOUSA-N 2 0 242.407 1.857 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+][C@H]1C[C@@H](OC)C1 ZINC001255942596 970577254 /nfs/dbraw/zinc/57/72/54/970577254.db2.gz GBJYLGAYXJJEQW-RWMBFGLXSA-N 2 0 228.380 1.874 20 0 BDADRP C[C@H]([NH2+]Cc1nccs1)C1CC[NH2+]CC1 ZINC000400325637 970577926 /nfs/dbraw/zinc/57/79/26/970577926.db2.gz DGPYRMQTOQVROZ-VIFPVBQESA-N 2 0 225.361 1.621 20 0 BDADRP C[C@H]([NH2+]CCCCCCO)[C@H]1CCC[NH2+]1 ZINC000400360359 970581593 /nfs/dbraw/zinc/58/15/93/970581593.db2.gz CXNLCCWEVQWCGS-NWDGAFQWSA-N 2 0 214.353 1.269 20 0 BDADRP C[C@@H]([NH2+]Cc1csnn1)C1CC[NH2+]CC1 ZINC000400410166 970587400 /nfs/dbraw/zinc/58/74/00/970587400.db2.gz SQALPTHNVIELRY-MRVPVSSYSA-N 2 0 226.349 1.016 20 0 BDADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)C1CC[NH2+]CC1 ZINC000400456425 970592234 /nfs/dbraw/zinc/59/22/34/970592234.db2.gz SOPMAWONNFAFBB-QFWMXSHPSA-N 3 0 225.380 1.234 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCCC[C@@H]1CO ZINC001255955914 970592409 /nfs/dbraw/zinc/59/24/09/970592409.db2.gz XQBCWCWUIFBMBY-UONOGXRCSA-N 2 0 242.407 1.954 20 0 BDADRP CC(C)N(CC[NH3+])C1CC[NH+](C2CC2)CC1 ZINC001256067451 970631277 /nfs/dbraw/zinc/63/12/77/970631277.db2.gz OZCUQWZCCZFIMV-UHFFFAOYSA-N 2 0 225.380 1.282 20 0 BDADRP C1CC1[NH+]1CCC(N2CC[NH+](C3CC3)CC2)CC1 ZINC001256072613 970642270 /nfs/dbraw/zinc/64/22/70/970642270.db2.gz FAACCSDYSDMONT-UHFFFAOYSA-N 2 0 249.402 1.393 20 0 BDADRP C[NH+](C)Cc1ccc(NCC2C[NH+](C)C2)nc1 ZINC001170253751 970657848 /nfs/dbraw/zinc/65/78/48/970657848.db2.gz QSVPIRMMCCAJPO-UHFFFAOYSA-N 2 0 234.347 1.117 20 0 BDADRP c1cncc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000401088940 970659796 /nfs/dbraw/zinc/65/97/96/970659796.db2.gz WRZDLKOFVSALKF-RBSFLKMASA-N 2 0 245.370 1.602 20 0 BDADRP Cc1cc[nH+]c(NCC2C[NH+](C)C2)c1C ZINC001170252932 970662696 /nfs/dbraw/zinc/66/26/96/970662696.db2.gz URSKFYKGKNMAGX-UHFFFAOYSA-N 2 0 205.305 1.672 20 0 BDADRP COc1cccc(C[C@H](C)[NH2+]C[C@@H](C)C[NH3+])c1 ZINC001256152960 970674904 /nfs/dbraw/zinc/67/49/04/970674904.db2.gz FUSVWAGCZLXDBL-RYUDHWBXSA-N 2 0 236.359 1.811 20 0 BDADRP C[NH+]1CCC(N(C(N)=[NH2+])c2ccccc2)CC1 ZINC001256196293 970692097 /nfs/dbraw/zinc/69/20/97/970692097.db2.gz HKVMURAYKODEFV-UHFFFAOYSA-N 2 0 232.331 1.481 20 0 BDADRP CN1CCC([N@@H+]2CC[C@](C)(CF)C2)CC1 ZINC001256202766 970699655 /nfs/dbraw/zinc/69/96/55/970699655.db2.gz LWFYLCMBHRKURC-GFCCVEGCSA-N 2 0 214.328 1.762 20 0 BDADRP CC[NH+](CC)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001256208374 970710032 /nfs/dbraw/zinc/71/00/32/970710032.db2.gz HNTFPXQGKHUZSJ-AWEZNQCLSA-N 2 0 239.407 1.497 20 0 BDADRP CCCO[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001256207973 970713917 /nfs/dbraw/zinc/71/39/17/970713917.db2.gz STNQPHQURVUHDV-CYBMUJFWSA-N 2 0 226.364 1.582 20 0 BDADRP C[C@@H]1[C@@H]([NH3+])CCCN1c1[nH+]ccc2[nH]ccc21 ZINC001157731948 970749953 /nfs/dbraw/zinc/74/99/53/970749953.db2.gz HMKUIPCTWNSELL-KOLCDFICSA-N 2 0 230.315 1.879 20 0 BDADRP Cc1nccc(C[NH+]2CCC(F)(C[NH3+])CC2)n1 ZINC001222531513 972547399 /nfs/dbraw/zinc/54/73/99/972547399.db2.gz BZLWWVCBLARURV-UHFFFAOYSA-N 2 0 238.310 1.048 20 0 BDADRP [NH3+]CC1(F)CC[NH+](Cc2ccoc2)CC1 ZINC001222531984 972548202 /nfs/dbraw/zinc/54/82/02/972548202.db2.gz IEDYYSXFKWFGIZ-UHFFFAOYSA-N 2 0 212.268 1.542 20 0 BDADRP Cc1ccncc1C[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222537997 972551119 /nfs/dbraw/zinc/55/11/19/972551119.db2.gz KMKGADXTLLHOGH-UHFFFAOYSA-N 2 0 237.322 1.653 20 0 BDADRP [NH3+]CC1(F)CC[NH+](Cc2ccc(=O)[nH]c2)CC1 ZINC001222533434 972552083 /nfs/dbraw/zinc/55/20/83/972552083.db2.gz YZIMOGBGGXHACM-UHFFFAOYSA-N 2 0 239.294 1.050 20 0 BDADRP Cc1ccc(C[NH+]2CCC(F)(C[NH3+])CC2)cn1 ZINC001222539371 972552941 /nfs/dbraw/zinc/55/29/41/972552941.db2.gz YVCSHKIRBADEIV-UHFFFAOYSA-N 2 0 237.322 1.653 20 0 BDADRP Cc1nc(C)c(C[NH+]2CCC(F)(C[NH3+])CC2)o1 ZINC001222548332 972557677 /nfs/dbraw/zinc/55/76/77/972557677.db2.gz GVBPBBNJOVZHIU-UHFFFAOYSA-N 2 0 241.310 1.554 20 0 BDADRP CC[C@@H](CC(C)C)[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246542292 972567308 /nfs/dbraw/zinc/56/73/08/972567308.db2.gz JUBOINHMJSBREZ-UONOGXRCSA-N 2 0 242.407 1.987 20 0 BDADRP C[C@H]1C[C@H]([N@@H+]2CCC[C@@](F)(C[NH3+])CC2)CCO1 ZINC001246554140 972746032 /nfs/dbraw/zinc/74/60/32/972746032.db2.gz BFXKEIXTBAJZEP-XQQFMLRXSA-N 2 0 244.354 1.707 20 0 BDADRP CSCC[C@H](C)[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246557315 972771942 /nfs/dbraw/zinc/77/19/42/972771942.db2.gz HUJBSYODJNUIBK-RYUDHWBXSA-N 2 0 246.420 1.304 20 0 BDADRP C[NH2+][C@@H](C)CC[NH2+]Cc1ccc2c(c1)C[NH2+]CC2 ZINC001327888792 972789517 /nfs/dbraw/zinc/78/95/17/972789517.db2.gz LRDNUISDLNBXFF-LBPRGKRZSA-N 3 0 247.386 1.420 20 0 BDADRP CC(C)C1CCC([N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001246560735 972791271 /nfs/dbraw/zinc/79/12/71/972791271.db2.gz SQAMVHXGPYLKSU-NWINJMCUSA-N 2 0 240.391 1.595 20 0 BDADRP C[C@@H]1CC[C@H](C[NH3+])N([C@@H]2CC[NH2+]C(C)(C)C2)C1 ZINC001246564121 972803751 /nfs/dbraw/zinc/80/37/51/972803751.db2.gz DEPUBFBFDWPUEK-JHJVBQTASA-N 2 0 239.407 1.576 20 0 BDADRP CC(C)([NH3+])CNc1ccc([C@H]2CCC[NH2+]2)cn1 ZINC001171188252 972834616 /nfs/dbraw/zinc/83/46/16/972834616.db2.gz BZELJYBUSKKNHM-LLVKDONJSA-N 2 0 234.347 1.655 20 0 BDADRP CC(C)C1CCC([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246583202 972951015 /nfs/dbraw/zinc/95/10/15/972951015.db2.gz IOTWHWOXXCXAIV-YIOUJQMASA-N 2 0 240.391 1.453 20 0 BDADRP C[C@@H]1C[C@@H](N2CCCC[C@H](C[NH3+])C2)C[C@H](C)[NH2+]1 ZINC001246591505 972997383 /nfs/dbraw/zinc/99/73/83/972997383.db2.gz JATWVJVGCRILGM-XJFOESAGSA-N 2 0 239.407 1.576 20 0 BDADRP [NH3+]C1CC2(C1)CCN(C1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC001246601579 973021289 /nfs/dbraw/zinc/02/12/89/973021289.db2.gz JYZMBAZPGBFSGN-PBWFPOADSA-N 2 0 249.402 1.473 20 0 BDADRP C1CN([C@@H]2CCC[NH2+]C2)[C@@]2(C1)CCC[NH2+]CC2 ZINC001246606888 973024672 /nfs/dbraw/zinc/02/46/72/973024672.db2.gz OFOUHPAVAUJOBR-ZIAGYGMSSA-N 2 0 237.391 1.347 20 0 BDADRP CC[C@@H]1CC(N2CC3(C[NH2+]C3)C2)C[C@@H](CC)[NH2+]1 ZINC001246615312 973035993 /nfs/dbraw/zinc/03/59/93/973035993.db2.gz SACDYEMLLCHWOS-VXGBXAGGSA-N 2 0 237.391 1.201 20 0 BDADRP C[C@H]1C[C@@H](N2CCC3(CC[NH2+]C3)CC2)CC[NH2+]1 ZINC001246640209 973058047 /nfs/dbraw/zinc/05/80/47/973058047.db2.gz BXMZQWLYNBFRAI-STQMWFEESA-N 2 0 237.391 1.202 20 0 BDADRP CC[C@@H]1C[C@H](N2CC[NH2+]C[C@@H]2CC)CC[NH2+]1 ZINC001246805271 973102258 /nfs/dbraw/zinc/10/22/58/973102258.db2.gz RMTUOPIAHQTXKH-FRRDWIJNSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H]1CC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)[C@H](C)C1 ZINC001246810497 973110195 /nfs/dbraw/zinc/11/01/95/973110195.db2.gz NRUJNTYWPQJYMT-UPJWGTAASA-N 2 0 237.391 1.201 20 0 BDADRP C1CC2(C1)C[C@@H](N1CC3(C1)CCCC[NH2+]3)CC[NH2+]2 ZINC001246834306 973128199 /nfs/dbraw/zinc/12/81/99/973128199.db2.gz UFZNFWJJLTUSGT-ZDUSSCGKSA-N 2 0 249.402 1.489 20 0 BDADRP Cc1ccc2c(c1)C[C@@H](N(CC[NH3+])CC[NH3+])CC2 ZINC001246831277 973134502 /nfs/dbraw/zinc/13/45/02/973134502.db2.gz MTAYCKSYZRTSOD-HNNXBMFYSA-N 2 0 247.386 1.072 20 0 BDADRP N[C@@]12C[C@@H]1C[N@@H+](C1CCC3(CCC[NH2+]C3)CC1)C2 ZINC001246870827 973249551 /nfs/dbraw/zinc/24/95/51/973249551.db2.gz PEDFLCWGHXGEPN-XSCHDIRWSA-N 2 0 249.402 1.332 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+]Cc1ccc2c(c1)nnn2C ZINC001328677755 973258258 /nfs/dbraw/zinc/25/82/58/973258258.db2.gz UPYIVTKQRCFRCG-SNVBAGLBSA-N 2 0 247.346 1.056 20 0 BDADRP CCC[C@H](CC)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001246896507 973344831 /nfs/dbraw/zinc/34/48/31/973344831.db2.gz GIYBPWGZICNBML-QWHCGFSZSA-N 2 0 240.391 1.754 20 0 BDADRP C[C@H]1C[C@H]([N@@H+]2CCc3ccc(N)cc3C2)CC[NH2+]1 ZINC001246905451 973384808 /nfs/dbraw/zinc/38/48/08/973384808.db2.gz MJJXOBFVMVQHFO-XHDPSFHLSA-N 2 0 245.370 1.767 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@H](C)[C@H]1CCCO1 ZINC001329022576 973432621 /nfs/dbraw/zinc/43/26/21/973432621.db2.gz FUIGSHKGYDFYLE-GMTAPVOTSA-N 2 0 200.326 1.142 20 0 BDADRP C[NH+]1CCC(C[NH2+]C[C@H]2CC2(C)C)CC1 ZINC000234312497 973516378 /nfs/dbraw/zinc/51/63/78/973516378.db2.gz CDALMIOZYXSUJF-GFCCVEGCSA-N 2 0 210.365 1.964 20 0 BDADRP CC[C@@H]1C[C@@H](N2C[C@@H]3[NH2+]C[C@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246921579 973523547 /nfs/dbraw/zinc/52/35/47/973523547.db2.gz SUCWOAKGXWSKET-HPCHECBXSA-N 2 0 237.391 1.199 20 0 BDADRP C1[C@@H]2C[NH2+]C[C@H]2N1C1CCC2(CCC[NH2+]C2)CC1 ZINC001246921353 973524682 /nfs/dbraw/zinc/52/46/82/973524682.db2.gz RYVAGMOPXPIYRU-FGZQJIAISA-N 2 0 249.402 1.202 20 0 BDADRP CC[N@H+]1C[C@@H]2C[NH+]([C@@H]3CC[NH2+][C@H](C)C3)C[C@@H]2C1 ZINC001246980700 973731569 /nfs/dbraw/zinc/73/15/69/973731569.db2.gz RQUDCGUBTPFJRG-YIYPIFLZSA-N 2 0 237.391 1.010 20 0 BDADRP C[NH+]1CCC(OC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001224701045 973867513 /nfs/dbraw/zinc/86/75/13/973867513.db2.gz CGGOWKVAMITLOQ-LBPRGKRZSA-N 2 0 226.364 1.582 20 0 BDADRP [NH3+]C1CC([NH2+][C@H]2CCc3c(F)cccc3C2)C1 ZINC001171410721 974019294 /nfs/dbraw/zinc/01/92/94/974019294.db2.gz WYJDYJZSALPNGE-CXQJBGSLSA-N 2 0 234.318 1.762 20 0 BDADRP C[N@@H+]1CCC[C@H](OCCC[NH+]2CCCCC2)C1 ZINC001224856172 974032033 /nfs/dbraw/zinc/03/20/33/974032033.db2.gz XYTXNVRHEVYQSL-AWEZNQCLSA-N 2 0 240.391 1.973 20 0 BDADRP C[C@H](C[NH+](C)C)OCCCC[NH+](C)C ZINC001224991169 974102534 /nfs/dbraw/zinc/10/25/34/974102534.db2.gz NQPJCVZYQMRUQH-LLVKDONJSA-N 2 0 202.342 1.295 20 0 BDADRP C[NH+]1C(C)(C)CC([NH2+]CC2COC2)CC1(C)C ZINC001171613132 974113560 /nfs/dbraw/zinc/11/35/60/974113560.db2.gz GDWKRDHWAOXXQD-UHFFFAOYSA-N 2 0 240.391 1.874 20 0 BDADRP C[NH+](C)CCCCOC1CC[NH+](C2CC2)CC1 ZINC001224991670 974121928 /nfs/dbraw/zinc/12/19/28/974121928.db2.gz YMTQPCGKJJXNHO-UHFFFAOYSA-N 2 0 240.391 1.972 20 0 BDADRP C[C@@H]1C[C@H](NOCC[NH3+])C[N@@H+]1Cc1ccccc1 ZINC001171726600 974141155 /nfs/dbraw/zinc/14/11/55/974141155.db2.gz YOELVLBONYBIDD-OCCSQVGLSA-N 2 0 249.358 1.129 20 0 BDADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]CC(C)C ZINC001171769958 974153809 /nfs/dbraw/zinc/15/38/09/974153809.db2.gz ITUVULUBDVXCKL-UHFFFAOYSA-N 2 0 243.395 1.080 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(C)(C)C[NH3+])C2 ZINC001172099382 974340606 /nfs/dbraw/zinc/34/06/06/974340606.db2.gz KCQRVJKBQRPBTM-CNDDSTCGSA-N 2 0 225.380 1.329 20 0 BDADRP Cn1nccc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172099821 974344513 /nfs/dbraw/zinc/34/45/13/974344513.db2.gz KRTDONHLIZEQJW-CLLJXQQHSA-N 2 0 248.374 1.525 20 0 BDADRP CC[C@@H](O)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172103185 974360164 /nfs/dbraw/zinc/36/01/64/974360164.db2.gz UGYUDKIMBYTRDC-FVCCEPFGSA-N 2 0 226.364 1.362 20 0 BDADRP CSCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172102109 974362697 /nfs/dbraw/zinc/36/26/97/974362697.db2.gz JTSRSFHEXGHUQQ-ZSBIGDGJSA-N 2 0 228.405 1.954 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@H]1CCO1)C2 ZINC001172108175 974367512 /nfs/dbraw/zinc/36/75/12/974367512.db2.gz QZVKSYPGBUIWRZ-FVCCEPFGSA-N 2 0 224.348 1.380 20 0 BDADRP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CSC1)C2 ZINC001172108744 974375545 /nfs/dbraw/zinc/37/55/45/974375545.db2.gz YPOBRSZQCVXGTJ-YHPBZONMSA-N 2 0 226.389 1.707 20 0 BDADRP C[C@@H](C[NH3+])CN(C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172119213 974384944 /nfs/dbraw/zinc/38/49/44/974384944.db2.gz WDSUHVXXQMHMSL-FQUUOJAGSA-N 2 0 239.407 1.528 20 0 BDADRP CC1(C)C[C@@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CO1 ZINC001172266266 974484482 /nfs/dbraw/zinc/48/44/82/974484482.db2.gz LNVVXNOWMNKOSO-HBNTYKKESA-N 2 0 212.337 1.413 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+](C3C[C@@H]4C=C[C@H](C3)O4)C2)C1 ZINC001172244507 974509440 /nfs/dbraw/zinc/50/94/40/974509440.db2.gz OJZPQQXABZHLQM-JALIKCBVSA-N 2 0 248.370 1.500 20 0 BDADRP CC[NH+]1C[C@@H]2C[NH+](C3C[C@@H]4C=C[C@H](C3)O4)C[C@H]2C1 ZINC001172242742 974509529 /nfs/dbraw/zinc/50/95/29/974509529.db2.gz GSZAVRJOFCOPTA-MLQJFRMTSA-N 2 0 248.370 1.356 20 0 BDADRP COCCC[NH+]1CCC([NH2+]CCC2CC2)CC1 ZINC001172247127 974514031 /nfs/dbraw/zinc/51/40/31/974514031.db2.gz FPXIKLPKLVJNKN-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP COC(=O)[C@H](C[NH3+])C[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC001172357838 974626906 /nfs/dbraw/zinc/62/69/06/974626906.db2.gz DOPNOYRPESRANX-NNYUYHANSA-N 2 0 242.363 1.149 20 0 BDADRP CCOCC[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC001172408124 974668325 /nfs/dbraw/zinc/66/83/25/974668325.db2.gz FEUXQAZDVXEZCW-QWHCGFSZSA-N 2 0 228.380 1.733 20 0 BDADRP CCOCC[C@H](C)[N@H+](CCC[NH3+])C(C)C ZINC001172409559 974670491 /nfs/dbraw/zinc/67/04/91/974670491.db2.gz WVCWEHZZJGXQAH-LBPRGKRZSA-N 2 0 216.369 1.861 20 0 BDADRP CCOCC[C@@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC001172418596 974691898 /nfs/dbraw/zinc/69/18/98/974691898.db2.gz FJEUOHHXVKWKTB-WOPDTQHZSA-N 2 0 214.353 1.661 20 0 BDADRP CC[N@@H+]1CCC[C@H](CNC(=[NH2+])N[C@@H]2C[C@H]2C)C1 ZINC001331900110 974856011 /nfs/dbraw/zinc/85/60/11/974856011.db2.gz CADCJDCVMQNIOC-IJLUTSLNSA-N 2 0 238.379 1.241 20 0 BDADRP CO[C@H]1CCC[C@@H]([N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC001172941973 974997909 /nfs/dbraw/zinc/99/79/09/974997909.db2.gz HJHSIPCQFSTRST-RQJABVFESA-N 2 0 238.375 1.437 20 0 BDADRP CCCOC1CCC([NH2+]C[C@H](C)C[NH3+])CC1 ZINC001173093768 975018928 /nfs/dbraw/zinc/01/89/28/975018928.db2.gz AZNBMGRMNYZHJO-PNESKVBLSA-N 2 0 228.380 1.909 20 0 BDADRP CC[NH+](CC)C1CCC([NH2+]C[C@@H](C)O)CC1 ZINC001173106233 975024713 /nfs/dbraw/zinc/02/47/13/975024713.db2.gz RCSQHROKTNGZBA-PNESKVBLSA-N 2 0 228.380 1.610 20 0 BDADRP CC[NH+](CC)C1CCC([NH2+]C[C@H](C)O)CC1 ZINC001173106231 975026431 /nfs/dbraw/zinc/02/64/31/975026431.db2.gz RCSQHROKTNGZBA-HIFPTAJRSA-N 2 0 228.380 1.610 20 0 BDADRP OCCCCC[NH+]1CCC2(CCC[NH2+]2)CC1 ZINC001226784805 975079735 /nfs/dbraw/zinc/07/97/35/975079735.db2.gz NXMVJUUBGDBBCZ-UHFFFAOYSA-N 2 0 226.364 1.367 20 0 BDADRP CC[N@@H+]1CCC[C@@H](CNC(=[NH2+])NCC2CC2)C1 ZINC001332378120 975080821 /nfs/dbraw/zinc/08/08/21/975080821.db2.gz VNJMKKAGQKLQSD-LBPRGKRZSA-N 2 0 238.379 1.242 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001332424652 975111915 /nfs/dbraw/zinc/11/19/15/975111915.db2.gz OEVKTCCEORGBKF-OLZOCXBDSA-N 2 0 247.342 1.601 20 0 BDADRP CC[C@H]1CC[C@H](NC(=[NH2+])NCCCC[NH3+])C1 ZINC001173267514 975134009 /nfs/dbraw/zinc/13/40/09/975134009.db2.gz RMOSQDYYRFWPBY-QWRGUYRKSA-N 2 0 226.368 1.418 20 0 BDADRP CCc1ccc(C[C@@H](C)[NH2+]C[C@@H](O)C[NH3+])cc1 ZINC001173239251 975164719 /nfs/dbraw/zinc/16/47/19/975164719.db2.gz PCFDDHHBDCUQJZ-RISCZKNCSA-N 2 0 236.359 1.089 20 0 BDADRP CC[N@@H+]1CC[C@@H](N2CC[C@H]([NH+](C)C3CC3)C2)C1 ZINC001173366512 975338044 /nfs/dbraw/zinc/33/80/44/975338044.db2.gz ACFOSALAVRMZKB-UONOGXRCSA-N 2 0 237.391 1.249 20 0 BDADRP CC[N@@H+]1CC[C@H](n2cnc3cccc(C[NH3+])c32)C1 ZINC001173361783 975339543 /nfs/dbraw/zinc/33/95/43/975339543.db2.gz XATVAWCDEKQETO-LBPRGKRZSA-N 2 0 244.342 1.762 20 0 BDADRP CC[N@@H+]1CC[C@H](N(CC[NH2+]C)C(C)(C)C)C1 ZINC001173374331 975361862 /nfs/dbraw/zinc/36/18/62/975361862.db2.gz KWDCNGJBVKEATN-LBPRGKRZSA-N 2 0 227.396 1.401 20 0 BDADRP C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1C[C@@H]1CCC[NH2+]C1 ZINC001333529113 975831583 /nfs/dbraw/zinc/83/15/83/975831583.db2.gz LHCRFTUIMAQRIK-ZDEQEGDKSA-N 2 0 225.380 1.057 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CC[C@H](CF)C2)CC1 ZINC001333855750 976120362 /nfs/dbraw/zinc/12/03/62/976120362.db2.gz YAHXBTZRGAMPLM-GFCCVEGCSA-N 2 0 214.328 1.620 20 0 BDADRP Cc1cc(C[NH2+]CC2CC[NH+](C)CC2)ncn1 ZINC001334199779 976366829 /nfs/dbraw/zinc/36/68/29/976366829.db2.gz ISFKWGVDZVHTEJ-UHFFFAOYSA-N 2 0 234.347 1.216 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2CCCSC2)C1 ZINC000259450697 976368684 /nfs/dbraw/zinc/36/86/84/976368684.db2.gz KWNWPHGWSWVBTD-AXFHLTTASA-N 2 0 214.378 1.599 20 0 BDADRP C[C@H](C[NH3+])C[N@H+](C)[C@@H]1CCO[C@@H](C)C1 ZINC000721409589 976626146 /nfs/dbraw/zinc/62/61/46/976626146.db2.gz IENPGKILGLVKHE-OUAUKWLOSA-N 2 0 200.326 1.081 20 0 BDADRP Cc1[nH+]c(C)n(C[C@H](O)C[N@@H+](C)C(C)C)c1C ZINC001334890576 976776182 /nfs/dbraw/zinc/77/61/82/976776182.db2.gz BWZTULYUGRWAOI-CYBMUJFWSA-N 2 0 239.363 1.509 20 0 BDADRP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCOC2)C[C@@H]([NH3+])C1 ZINC001335251063 976898300 /nfs/dbraw/zinc/89/83/00/976898300.db2.gz HREIYWDNYLFQCZ-TUAOUCFPSA-N 2 0 226.364 1.519 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)C2CC2)C1 ZINC001335350879 976986734 /nfs/dbraw/zinc/98/67/34/976986734.db2.gz LHPYEWRMZGMFLX-DGCLKSJQSA-N 2 0 226.364 1.077 20 0 BDADRP CCC[NH+]1C[C@H]2CN(Cc3ccccn3)C[C@@H]2C1 ZINC000503729597 977152411 /nfs/dbraw/zinc/15/24/11/977152411.db2.gz NQJXCSKSHIXNTO-KBPBESRZSA-N 2 0 245.370 1.855 20 0 BDADRP CC[C@H](O)C[NH2+]CCCC[NH+](CC)CC ZINC001335940314 977372915 /nfs/dbraw/zinc/37/29/15/977372915.db2.gz BSCUBLUJYQMTTF-LBPRGKRZSA-N 2 0 216.369 1.469 20 0 BDADRP C[NH2+]C[C@H](C)CNC[C@H]([NH3+])CCC(C)(C)C ZINC001336284706 977616422 /nfs/dbraw/zinc/61/64/22/977616422.db2.gz BUSISZPFHFWLPR-NWDGAFQWSA-N 2 0 229.412 1.585 20 0 BDADRP Cc1[nH+]cc(Nc2ccc(C[NH3+])cc2)n1C ZINC001175967031 977836006 /nfs/dbraw/zinc/83/60/06/977836006.db2.gz HOYBWQYJGYRZEW-UHFFFAOYSA-N 2 0 216.288 1.931 20 0 BDADRP Cc1[nH+]cn(C)c1Nc1ccc(C[NH3+])cc1 ZINC001175966986 977836893 /nfs/dbraw/zinc/83/68/93/977836893.db2.gz XTBIWFUBPOEHER-UHFFFAOYSA-N 2 0 216.288 1.931 20 0 BDADRP C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232011678 977839500 /nfs/dbraw/zinc/83/95/00/977839500.db2.gz NXYOHYQYWLEUEG-MNOVXSKESA-N 2 0 245.326 1.766 20 0 BDADRP C[C@H]([C@H](C)O)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001176281685 978009163 /nfs/dbraw/zinc/00/91/63/978009163.db2.gz ONYITLPOOFENAP-XQQFMLRXSA-N 2 0 249.358 1.361 20 0 BDADRP Cc1[nH+]cn(-c2ccc(C[NH+](C)C)cc2)c1N ZINC001176291006 978015703 /nfs/dbraw/zinc/01/57/03/978015703.db2.gz WMJQBUGQVADNDB-UHFFFAOYSA-N 2 0 230.315 1.825 20 0 BDADRP OCc1c[nH+]ccc1N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC001336982528 978106049 /nfs/dbraw/zinc/10/60/49/978106049.db2.gz GUEYGFUBQJOAJU-UONOGXRCSA-N 2 0 247.342 1.035 20 0 BDADRP C[NH+](C)CCOC1CCC([NH+](C)C)CC1 ZINC001206279048 978148105 /nfs/dbraw/zinc/14/81/05/978148105.db2.gz WJAGFPLRAADRNC-UHFFFAOYSA-N 2 0 214.353 1.437 20 0 BDADRP Cc1cc(F)cc(N2CC[C@H](C[NH+](C)C)C2)n1 ZINC001337110066 978168326 /nfs/dbraw/zinc/16/83/26/978168326.db2.gz ZVKQQRAHEGTBFF-LLVKDONJSA-N 2 0 237.322 1.917 20 0 BDADRP Cn1cccc1C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206296840 978316160 /nfs/dbraw/zinc/31/61/60/978316160.db2.gz VDLWSZFLWOYSDM-AWEZNQCLSA-N 2 0 235.375 1.976 20 0 BDADRP C[NH2+][C@H](C)CCNC[C@H]([NH3+])CCC(C)(C)C ZINC001337837297 978505442 /nfs/dbraw/zinc/50/54/42/978505442.db2.gz AJHUTGLQLQQUEY-VXGBXAGGSA-N 2 0 229.412 1.728 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+](Cc1cccc(N)n1)CC2 ZINC001233372447 978588122 /nfs/dbraw/zinc/58/81/22/978588122.db2.gz OFWQGKIBNLAPAD-UHFFFAOYSA-N 2 0 246.358 1.191 20 0 BDADRP [NH3+]C[C@]1(F)CCCCN(C[C@@H]2CCCC[NH2+]2)C1 ZINC001206337997 978602050 /nfs/dbraw/zinc/60/20/50/978602050.db2.gz XRMBHLQQZUQIJN-QWHCGFSZSA-N 2 0 243.370 1.281 20 0 BDADRP CCCc1nccn1C[C@@H]1CCC[NH2+]C1 ZINC000069964154 978800451 /nfs/dbraw/zinc/80/04/51/978800451.db2.gz SCKFMDPLOJGXJH-LLVKDONJSA-N 2 0 207.321 1.835 20 0 BDADRP CC(=O)[C@@H](C)[NH+]1CCC2(CC[N@H+](C)C2)CC1 ZINC001277888419 978903101 /nfs/dbraw/zinc/90/31/01/978903101.db2.gz JDGIFVWGDHZOEX-LLVKDONJSA-N 2 0 224.348 1.382 20 0 BDADRP CC(=O)[C@H](C)[NH+]1CCC2(CCC[N@H+](C)C2)CC1 ZINC001277889432 978903174 /nfs/dbraw/zinc/90/31/74/978903174.db2.gz PJDQNBFSJQFPNA-LBPRGKRZSA-N 2 0 238.375 1.772 20 0 BDADRP C[NH+](C)CC(C)(C)CN1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235037898 978957090 /nfs/dbraw/zinc/95/70/90/978957090.db2.gz JJBXSVKZVLATEC-NWDGAFQWSA-N 2 0 225.380 1.010 20 0 BDADRP CC[NH2+]CCN1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235038166 978959036 /nfs/dbraw/zinc/95/90/36/978959036.db2.gz DIRAQIXKXVDDHC-CYBMUJFWSA-N 2 0 225.380 1.204 20 0 BDADRP CC/C=C\CCC[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235053036 978964026 /nfs/dbraw/zinc/96/40/26/978964026.db2.gz IPZYCSZSSVASNI-NQHOJNORSA-N 2 0 237.391 1.370 20 0 BDADRP C[NH+](C)CC(C)(C)CN1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235075508 978968488 /nfs/dbraw/zinc/96/84/88/978968488.db2.gz JJBXSVKZVLATEC-VXGBXAGGSA-N 2 0 225.380 1.010 20 0 BDADRP c1n[nH]cc1C[NH+]1CC2(C1)CC[NH+](C1CC1)CC2 ZINC001277921401 978973616 /nfs/dbraw/zinc/97/36/16/978973616.db2.gz BCMUSPDCZDKYDN-UHFFFAOYSA-N 2 0 246.358 1.470 20 0 BDADRP [NH3+]CCCCN1CC(F)(F)CC12CC[NH2+]CC2 ZINC001235131388 978981631 /nfs/dbraw/zinc/98/16/31/978981631.db2.gz ALMDRKCAJBTDKK-UHFFFAOYSA-N 2 0 247.333 1.189 20 0 BDADRP C([C@@H]1CCCC[NH2+]1)N1CCCC[C@@]12CC[NH2+]C2 ZINC001235126560 978981637 /nfs/dbraw/zinc/98/16/37/978981637.db2.gz UFQRLVJSNCCKLY-KBPBESRZSA-N 2 0 237.391 1.347 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235169679 978987404 /nfs/dbraw/zinc/98/74/04/978987404.db2.gz CAUAVWSVEDQCSE-CYBMUJFWSA-N 3 0 225.380 1.333 20 0 BDADRP C([C@@H]1CCC[NH2+]1)N1CCCC[C@]12CCC[NH2+]C2 ZINC001235172129 978989047 /nfs/dbraw/zinc/98/90/47/978989047.db2.gz KMJURTFEDXVYHG-UONOGXRCSA-N 2 0 237.391 1.347 20 0 BDADRP CC[C@H]([NH3+])CN1CCCCC12CC[NH2+]CC2 ZINC001235189797 978992606 /nfs/dbraw/zinc/99/26/06/978992606.db2.gz CAKWUXJXACKHDN-LBPRGKRZSA-N 2 0 225.380 1.332 20 0 BDADRP [NH3+]CCCCCCN1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001235209234 978995502 /nfs/dbraw/zinc/99/55/02/978995502.db2.gz KKLSTHRVLHXFMU-OLZOCXBDSA-N 2 0 225.380 1.189 20 0 BDADRP CC[NH2+]CCN1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001235216854 979000156 /nfs/dbraw/zinc/00/01/56/979000156.db2.gz DSSBGXPYKJKQOR-LSDHHAIUSA-N 2 0 245.370 1.167 20 0 BDADRP C(C1CC2(C1)CC[NH2+]CC2)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001235292737 979019740 /nfs/dbraw/zinc/01/97/40/979019740.db2.gz IRWFGSPLTPBYOH-UONOGXRCSA-N 2 0 249.402 1.202 20 0 BDADRP c1cc(CN2CCC[C@@H]3[NH2+]C[C@H]32)cc2c1C[NH2+]C2 ZINC001235302632 979020417 /nfs/dbraw/zinc/02/04/17/979020417.db2.gz IGTYAJPNPGDDCF-LSDHHAIUSA-N 2 0 243.354 1.226 20 0 BDADRP [NH3+][C@H](CN1CCC[C@@H]2[NH2+]C[C@H]21)c1ccccc1 ZINC001235296372 979020580 /nfs/dbraw/zinc/02/05/80/979020580.db2.gz WTNCQFZMKYAECD-HZSPNIEDSA-N 2 0 231.343 1.123 20 0 BDADRP CC(C)[C@@H]1CN(Cc2ccc(C[NH3+])cc2)CC[NH2+]1 ZINC001235470497 979050791 /nfs/dbraw/zinc/05/07/91/979050791.db2.gz AAOATDNHDKHZMF-HNNXBMFYSA-N 2 0 247.386 1.575 20 0 BDADRP CC(C)[C@@H]1CN(CC[C@@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001235471002 979052354 /nfs/dbraw/zinc/05/23/54/979052354.db2.gz MGUOJFKWUKENDO-KBPBESRZSA-N 2 0 239.407 1.448 20 0 BDADRP [NH3+][C@@H](C(=O)Nc1cccc2c1C[NH2+]C2)C1CCC1 ZINC001340883329 979137652 /nfs/dbraw/zinc/13/76/52/979137652.db2.gz ZIUJXVWAGDEODP-CYBMUJFWSA-N 2 0 245.326 1.356 20 0 BDADRP CN(CC1CC2(C1)CC[NH2+]CC2)[C@@H]1CC[NH2+]C1 ZINC001235734353 979139437 /nfs/dbraw/zinc/13/94/37/979139437.db2.gz BDUFTLXXZVZLLZ-CYBMUJFWSA-N 2 0 237.391 1.060 20 0 BDADRP CC[C@@H]1C[NH2+]CCN1C[C@H]([NH3+])Cc1ccccc1 ZINC001235769715 979146148 /nfs/dbraw/zinc/14/61/48/979146148.db2.gz WNZXFWYSVZJAMJ-HUUCEWRRSA-N 2 0 247.386 1.240 20 0 BDADRP [NH3+]CCN1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001235792766 979147640 /nfs/dbraw/zinc/14/76/40/979147640.db2.gz GBQHBKXELXVIOL-CABCVRRESA-N 2 0 245.370 1.151 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)CC2CC([NH3+])C2)cc1 ZINC001340906268 979152253 /nfs/dbraw/zinc/15/22/53/979152253.db2.gz AGVWSVZJCFRXKT-UHFFFAOYSA-N 2 0 233.315 1.211 20 0 BDADRP CC[C@@H]([NH3+])CN1CC[NH2+][C@@H](CC(C)C)C1 ZINC001235877871 979177059 /nfs/dbraw/zinc/17/70/59/979177059.db2.gz AJMKSUTZGHRBLE-NEPJUHHUSA-N 2 0 213.369 1.044 20 0 BDADRP CC(C)([NH3+])CCNC(=O)c1ccccc1C[NH3+] ZINC001340968229 979180237 /nfs/dbraw/zinc/18/02/37/979180237.db2.gz QAJRNSOHCOLIDZ-UHFFFAOYSA-N 2 0 235.331 1.003 20 0 BDADRP CC[C@H]([NH2+]C)C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001340994593 979190062 /nfs/dbraw/zinc/19/00/62/979190062.db2.gz MNZABLNRAQEOGY-NSHDSACASA-N 2 0 233.315 1.226 20 0 BDADRP CN(C[C@@H]1CCC[NH2+]C1)C[C@H]1CCCC[NH2+]1 ZINC001235950829 979219691 /nfs/dbraw/zinc/21/96/91/979219691.db2.gz NQHHHXVHQCPECG-CHWSQXEVSA-N 2 0 225.380 1.060 20 0 BDADRP C[NH+]1CCC2(CC[N@H+](CCCC[NH3+])C2)CC1 ZINC001235958834 979228238 /nfs/dbraw/zinc/22/82/38/979228238.db2.gz KCFIAZACRNNLET-UHFFFAOYSA-N 3 0 225.380 1.143 20 0 BDADRP CCN(CC[C@@H]1CCCC[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC001235970439 979232208 /nfs/dbraw/zinc/23/22/08/979232208.db2.gz MUBHKXNXENIYIH-QWHCGFSZSA-N 2 0 225.380 1.202 20 0 BDADRP [NH3+]Cc1cccc(CN2C[C@@H]3CC[C@]3([NH3+])C2)c1 ZINC001235995618 979287006 /nfs/dbraw/zinc/28/70/06/979287006.db2.gz VLIWVMSRROSGCQ-KBPBESRZSA-N 2 0 231.343 1.068 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CN(C[C@@H]([NH3+])c2ccccc2)C1 ZINC001236044500 979334229 /nfs/dbraw/zinc/33/42/29/979334229.db2.gz MVFMGHQQWBNBMN-MRVWCRGKSA-N 2 0 233.359 1.356 20 0 BDADRP C[C@H]1C[C@H]([NH3+])CN(C[C@H]([NH3+])Cc2ccccc2)C1 ZINC001236044868 979336085 /nfs/dbraw/zinc/33/60/85/979336085.db2.gz ORHFOKNDDQNEMR-AEGPPILISA-N 2 0 247.386 1.226 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CN(C[C@H]([NH3+])Cc2ccccc2)C1 ZINC001236044874 979337373 /nfs/dbraw/zinc/33/73/73/979337373.db2.gz ORHFOKNDDQNEMR-VHDGCEQUSA-N 2 0 247.386 1.226 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CN(Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC001236053326 979345270 /nfs/dbraw/zinc/34/52/70/979345270.db2.gz YOXCDLSKYPRRLF-ABAIWWIYSA-N 2 0 245.370 1.459 20 0 BDADRP C[C@H]1C[N@H+](CC2(C)CC[NH2+]CC2)[C@@H](C)CN1 ZINC001236079033 979365642 /nfs/dbraw/zinc/36/56/42/979365642.db2.gz NSCMJXJDOUMCCL-RYUDHWBXSA-N 2 0 225.380 1.058 20 0 BDADRP Cc1nnc([C@@H]2CCC[N@H+](CCCC[NH3+])C2)o1 ZINC001236098973 979389795 /nfs/dbraw/zinc/38/97/95/979389795.db2.gz WBEKVHMOIPAXQL-LLVKDONJSA-N 2 0 238.335 1.296 20 0 BDADRP CC[N@H+](CC1CC[NH+](CC)CC1)[C@@H](C)CO ZINC001181985824 979391845 /nfs/dbraw/zinc/39/18/45/979391845.db2.gz HTYKALGFCCYWFS-LBPRGKRZSA-N 2 0 228.380 1.421 20 0 BDADRP c1csc([C@H]2C[NH2+]CCN2C[C@H]2CC[NH2+]2)c1 ZINC001236114986 979393344 /nfs/dbraw/zinc/39/33/44/979393344.db2.gz PTCYFASRDWBWQH-GHMZBOCLSA-N 2 0 237.372 1.056 20 0 BDADRP CCCC[C@@H]1CN(CCCC[NH3+])CC[NH2+]1 ZINC001236134870 979401363 /nfs/dbraw/zinc/40/13/63/979401363.db2.gz IKZITHCXKUBMDU-GFCCVEGCSA-N 2 0 213.369 1.189 20 0 BDADRP CN(Cc1cccc(C[NH3+])c1)C[C@@H]1CCC[NH2+]1 ZINC001236122729 979398843 /nfs/dbraw/zinc/39/88/43/979398843.db2.gz YXDXCXGJFAONDG-AWEZNQCLSA-N 2 0 233.359 1.329 20 0 BDADRP CCCC[C@@H]1CN(CC23CC([NH3+])(C2)C3)CC[NH2+]1 ZINC001236134504 979404787 /nfs/dbraw/zinc/40/47/87/979404787.db2.gz DKUNHDADEVIBAS-IYXRBSQSSA-N 2 0 237.391 1.332 20 0 BDADRP CCN(CC[NH2+]C)CC[C@@H]1CCCC[NH2+]1 ZINC001236143691 979406654 /nfs/dbraw/zinc/40/66/54/979406654.db2.gz MJYTVCCSKFJMOD-LBPRGKRZSA-N 2 0 213.369 1.060 20 0 BDADRP CCCC[C@@H]1CN(C[C@@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001236136555 979408893 /nfs/dbraw/zinc/40/88/93/979408893.db2.gz XQLYGWVVLFZTHA-KGLIPLIRSA-N 2 0 239.407 1.593 20 0 BDADRP CCN(CC[NH2+]C)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001236145429 979413370 /nfs/dbraw/zinc/41/33/70/979413370.db2.gz XXLAFYCQFSIAGG-UHFFFAOYSA-N 2 0 247.386 1.374 20 0 BDADRP CCC1([NH3+])CN(Cc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001236185586 979438895 /nfs/dbraw/zinc/43/88/95/979438895.db2.gz PSOSTJMGSRGDGI-UHFFFAOYSA-N 2 0 245.370 1.255 20 0 BDADRP CN(CC[C@@H]1CCCC[NH2+]1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236210328 979448329 /nfs/dbraw/zinc/44/83/29/979448329.db2.gz BJORBPSOAGHCBS-MELADBBJSA-N 2 0 239.407 1.720 20 0 BDADRP CN(CC[C@H]1CCCC[NH2+]1)C1(C)CC[NH2+]CC1 ZINC001236221524 979455992 /nfs/dbraw/zinc/45/59/92/979455992.db2.gz CIFKRUOIFVWQQU-CYBMUJFWSA-N 2 0 239.407 1.593 20 0 BDADRP CCc1cccc(C)c1C[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206492323 979481695 /nfs/dbraw/zinc/48/16/95/979481695.db2.gz UNJOPHZARMHXOU-DZGCQCFKSA-N 2 0 248.370 1.309 20 0 BDADRP CN(C)c1cc(NC(=O)CC2CC([NH3+])C2)ccn1 ZINC001341616796 979491993 /nfs/dbraw/zinc/49/19/93/979491993.db2.gz CGIUJUHRLVKNCZ-UHFFFAOYSA-N 2 0 248.330 1.214 20 0 BDADRP O=C(C[NH2+]CC1CC1)Nc1cccc2c1C[NH2+]C2 ZINC001341624872 979497434 /nfs/dbraw/zinc/49/74/34/979497434.db2.gz ZAIBHSHHWFVYHN-UHFFFAOYSA-N 2 0 245.326 1.228 20 0 BDADRP C1=CO[C@@H](C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CC1 ZINC001236314216 979523142 /nfs/dbraw/zinc/52/31/42/979523142.db2.gz LMDOSQASGXBPSV-HZSPNIEDSA-N 2 0 236.359 1.611 20 0 BDADRP C[NH2+]C1(C(=O)Nc2ccc3c(c2)C[NH2+]C3)CCC1 ZINC001341685102 979523841 /nfs/dbraw/zinc/52/38/41/979523841.db2.gz HDGPRTBOEZUBEI-UHFFFAOYSA-N 2 0 245.326 1.370 20 0 BDADRP Cc1n[nH]c(C)c1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236317173 979527223 /nfs/dbraw/zinc/52/72/23/979527223.db2.gz UQOHLELOTHFEHZ-BETUJISGSA-N 2 0 248.374 1.458 20 0 BDADRP Nc1cnccc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236319678 979534332 /nfs/dbraw/zinc/53/43/32/979534332.db2.gz CQSARKUSXVCCOH-TXEJJXNPSA-N 2 0 246.358 1.095 20 0 BDADRP CCCN(C[C@@H]1CCCC[NH2+]1)[C@H]1CC[NH2+]C1 ZINC001236322640 979539287 /nfs/dbraw/zinc/53/92/87/979539287.db2.gz RMJIKDPMJBYXMV-STQMWFEESA-N 2 0 225.380 1.202 20 0 BDADRP [NH3+]Cc1ccc(-c2cccc3c2CC[NH2+]C3)cn1 ZINC001236354498 979549402 /nfs/dbraw/zinc/54/94/02/979549402.db2.gz RFQNNKUORSDLQS-UHFFFAOYSA-N 2 0 239.322 1.853 20 0 BDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH3+] ZINC001341778457 979556229 /nfs/dbraw/zinc/55/62/29/979556229.db2.gz SFBFHGONHJHGKB-NEPJUHHUSA-N 2 0 241.379 1.103 20 0 BDADRP CC[N@H+](CCCCCO)C[C@@H]1CC[NH2+]C1 ZINC001236409204 979583685 /nfs/dbraw/zinc/58/36/85/979583685.db2.gz YWACHSNUJXFASZ-GFCCVEGCSA-N 2 0 214.353 1.080 20 0 BDADRP CCN(CC[C@H]1CCCC[NH2+]1)C[C@H]1CC[NH2+]C1 ZINC001236407949 979584957 /nfs/dbraw/zinc/58/49/57/979584957.db2.gz JROZLCUHPQOWOG-UONOGXRCSA-N 3 0 239.407 1.450 20 0 BDADRP C[C@H]1[C@@H]([NH3+])CCCN1C[C@@H]([NH3+])c1ccccc1 ZINC001236413552 979586648 /nfs/dbraw/zinc/58/66/48/979586648.db2.gz GJDQROWRCXUCSZ-FPMFFAJLSA-N 2 0 233.359 1.498 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC001341893203 979588178 /nfs/dbraw/zinc/58/81/78/979588178.db2.gz KHLCYUCLONCELA-QJPTWQEYSA-N 2 0 241.379 1.136 20 0 BDADRP C[NH2+]C[C@H]1CCCN1Cc1ccc2c(c1)C[NH2+]C2 ZINC001236422406 979590937 /nfs/dbraw/zinc/59/09/37/979590937.db2.gz UVKSGPXRJXTGTL-OAHLLOKOSA-N 2 0 245.370 1.474 20 0 BDADRP C[C@H]1[C@@H]([NH3+])CCCN1Cc1ccc(C[NH3+])cc1 ZINC001236416935 979592929 /nfs/dbraw/zinc/59/29/29/979592929.db2.gz AQPZLEMLINMMAV-FZMZJTMJSA-N 2 0 233.359 1.457 20 0 BDADRP C[C@H]1CN(CC[C@H]2CCCC[NH2+]2)C[C@H](C)[NH2+]1 ZINC001236422972 979595211 /nfs/dbraw/zinc/59/52/11/979595211.db2.gz KUPIERAYPWIPHF-RWMBFGLXSA-N 2 0 225.380 1.201 20 0 BDADRP CC[NH2+]CCN(CC[NH3+])Cc1ccccc1 ZINC001236522876 979616422 /nfs/dbraw/zinc/61/64/22/979616422.db2.gz VRDNSPLCKUHSRO-UHFFFAOYSA-N 2 0 221.348 1.057 20 0 BDADRP [NH3+][C@H](CN(C1CC1)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC001236530865 979620745 /nfs/dbraw/zinc/62/07/45/979620745.db2.gz ZLXOUDROPDFHFR-HUUCEWRRSA-N 2 0 245.370 1.513 20 0 BDADRP [NH3+][C@H]1CC[C@H]([N@H+](CCCCO)CC2CC2)CC1 ZINC001236550887 979633780 /nfs/dbraw/zinc/63/37/80/979633780.db2.gz IFMGTHHRQQOBJV-HDJSIYSDSA-N 2 0 240.391 1.741 20 0 BDADRP CC[NH2+]CCN(C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236572839 979636892 /nfs/dbraw/zinc/63/68/92/979636892.db2.gz VBXKIFSQFAKNLD-MQMHXKEQSA-N 2 0 239.407 1.720 20 0 BDADRP C[C@@H]1CN(CC2(C)CC[NH+](C)CC2)C[C@@H](C)[NH2+]1 ZINC001236576136 979646204 /nfs/dbraw/zinc/64/62/04/979646204.db2.gz BVNGAZKYZGJDGE-CHWSQXEVSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@@H]1CN(CC(C)(C)C[NH+](C)C)C[C@@H](C)[NH2+]1 ZINC001236577018 979647689 /nfs/dbraw/zinc/64/76/89/979647689.db2.gz QTWSIPXRNDEOQQ-VXGBXAGGSA-N 2 0 227.396 1.256 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCC[C@H](Oc2ccncc2)C1 ZINC001236615914 979679994 /nfs/dbraw/zinc/67/99/94/979679994.db2.gz KSPYCHYKVFVPND-AWEZNQCLSA-N 2 0 249.358 1.664 20 0 BDADRP C[NH2+]CCCN([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236649788 979688074 /nfs/dbraw/zinc/68/80/74/979688074.db2.gz ZNYCKYOWDONEKG-AWEZNQCLSA-N 2 0 239.407 1.593 20 0 BDADRP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ccncc2N)C1 ZINC001206555976 979718193 /nfs/dbraw/zinc/71/81/93/979718193.db2.gz LJDOHZOLURIWPJ-AWEZNQCLSA-N 2 0 248.374 1.615 20 0 BDADRP C[C@@H]([NH3+])CN(C)C(=O)[C@@H]([NH3+])C1CCCCCC1 ZINC001342338306 979773283 /nfs/dbraw/zinc/77/32/83/979773283.db2.gz SQRCISACSPTSHT-PWSUYJOCSA-N 2 0 241.379 1.090 20 0 BDADRP [NH3+]C[C@@H]1C[C@@H]1C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC001342353321 979780296 /nfs/dbraw/zinc/78/02/96/979780296.db2.gz LILHKYBPCALDCK-XYJRDEOASA-N 2 0 245.326 1.035 20 0 BDADRP COc1ccc(C)c(CN(C)C[C@H](C)[NH3+])c1 ZINC001236908357 979790665 /nfs/dbraw/zinc/79/06/65/979790665.db2.gz HEEJGCXLVNYFTQ-NSHDSACASA-N 2 0 222.332 1.783 20 0 BDADRP CC[C@@H](C)CN(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001236923076 979795690 /nfs/dbraw/zinc/79/56/90/979795690.db2.gz INOVGTQGYPGDRT-KGLIPLIRSA-N 2 0 241.423 1.648 20 0 BDADRP C[C@@]1([NH3+])CCC[N@H+](Cc2cc[nH]c(=O)c2)CC1 ZINC001205264277 979810993 /nfs/dbraw/zinc/81/09/93/979810993.db2.gz IUIKZSFGSJUBCZ-CYBMUJFWSA-N 2 0 235.331 1.491 20 0 BDADRP C[C@]1([NH3+])CCC[N@H+](Cc2ccncc2)CC1 ZINC001205263831 979812534 /nfs/dbraw/zinc/81/25/34/979812534.db2.gz COPDLRICDLWEFJ-ZDUSSCGKSA-N 2 0 219.332 1.785 20 0 BDADRP CC[C@H]([NH3+])CN1CC[NH2+]C2=CCCC[C@H]21 ZINC001237218156 979847449 /nfs/dbraw/zinc/84/74/49/979847449.db2.gz FWOIWOCVZSOVOF-CMPLNLGQSA-N 2 0 209.337 1.065 20 0 BDADRP C1=C2[NH2+]CCN(CC[C@@H]3CCCC[NH2+]3)[C@H]2CCC1 ZINC001237220505 979851188 /nfs/dbraw/zinc/85/11/88/979851188.db2.gz RQVJFZFKLINPCZ-ZFWWWQNUSA-N 2 0 249.402 1.860 20 0 BDADRP CC1(C[N@@H+]2CCNC3=CCCC[C@@H]32)CC[NH2+]CC1 ZINC001237222144 979852234 /nfs/dbraw/zinc/85/22/34/979852234.db2.gz ZSWLPHMAUVNXBG-AWEZNQCLSA-N 2 0 249.402 1.718 20 0 BDADRP C(C1CC[NH2+]CC1)N1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237374714 979879527 /nfs/dbraw/zinc/87/95/27/979879527.db2.gz IMGACBUIEOJYCA-KBPBESRZSA-N 2 0 237.391 1.060 20 0 BDADRP Nc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237416955 979889199 /nfs/dbraw/zinc/88/91/99/979889199.db2.gz RJWOYTIYHGCXOV-UKRRQHHQSA-N 2 0 245.370 1.843 20 0 BDADRP CCn1cncc1C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001237595503 979952510 /nfs/dbraw/zinc/95/25/10/979952510.db2.gz NTHYBIBSIXURLR-UHFFFAOYSA-N 2 0 248.374 1.431 20 0 BDADRP CN(CC[NH+](C)C)Cc1cccc2c[nH+]cn21 ZINC001238102320 980152888 /nfs/dbraw/zinc/15/28/88/980152888.db2.gz BAGSXCBCPNAJKM-UHFFFAOYSA-N 2 0 232.331 1.328 20 0 BDADRP OC[C@@H]1CCC[N@@H+]1Cc1cccc2cncn21 ZINC001238105053 980157396 /nfs/dbraw/zinc/15/73/96/980157396.db2.gz BMGSVMOWTALUCN-ZDUSSCGKSA-N 2 0 231.299 1.291 20 0 BDADRP CC(=O)[C@@H]1CCCN1Cc1cccc2c[nH+]cn21 ZINC001238117042 980167305 /nfs/dbraw/zinc/16/73/05/980167305.db2.gz UMMNQZMZXPILCJ-AWEZNQCLSA-N 2 0 243.310 1.888 20 0 BDADRP [NH3+]Cc1ccc(C2=CCC[NH2+]CC2)cn1 ZINC001238941555 980381940 /nfs/dbraw/zinc/38/19/40/980381940.db2.gz OMMAWGPXVMUZEF-UHFFFAOYSA-N 2 0 203.289 1.307 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCCC[NH3+])C1 ZINC001345098350 980547318 /nfs/dbraw/zinc/54/73/18/980547318.db2.gz SFAOUZWNJIUASX-NSHDSACASA-N 3 0 213.369 1.093 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCCC[NH3+])C1 ZINC001345098342 980548774 /nfs/dbraw/zinc/54/87/74/980548774.db2.gz SFAOUZWNJIUASX-LLVKDONJSA-N 3 0 213.369 1.093 20 0 BDADRP [NH3+]Cc1ccc2ncn(-c3cc[nH+]cc3)c2c1 ZINC000076214652 980685315 /nfs/dbraw/zinc/68/53/15/980685315.db2.gz BVXVBJBAOJVETF-UHFFFAOYSA-N 2 0 224.267 1.879 20 0 BDADRP CC(C)[N@H+](C)CCCNC[C@@](C)(O)C(F)F ZINC001346179621 980777034 /nfs/dbraw/zinc/77/70/34/980777034.db2.gz JSBYQUFHDVUHMD-LLVKDONJSA-N 2 0 238.322 1.322 20 0 BDADRP CC(C)CC[C@H](O)C[NH2+]C[C@H]1CC[N@H+](C)C1 ZINC001346190621 980779743 /nfs/dbraw/zinc/77/97/43/980779743.db2.gz HZJFYOWZRCFOGG-OLZOCXBDSA-N 2 0 228.380 1.325 20 0 BDADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cccnn2)CC1 ZINC001205558059 980991111 /nfs/dbraw/zinc/99/11/11/980991111.db2.gz BFRKQIWDEOPEEB-GFCCVEGCSA-N 2 0 238.310 1.130 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@H]2CCCCO2)CC[C@@H]1C[NH3+] ZINC001205599890 981152327 /nfs/dbraw/zinc/15/23/27/981152327.db2.gz AMIDXGNRHNTFIV-MGPQQGTHSA-N 2 0 240.391 1.862 20 0 BDADRP C[C@H]1CC[N@H+](Cc2ccnc(N)c2)CC[C@@H]1C[NH3+] ZINC001205626911 981277296 /nfs/dbraw/zinc/27/72/96/981277296.db2.gz KPEDGWSZHOOQLE-WCQYABFASA-N 2 0 248.374 1.471 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2cccc(N)n2)CC[C@H]1C[NH3+] ZINC001205638820 981412612 /nfs/dbraw/zinc/41/26/12/981412612.db2.gz SGCUCAMXGZQNAF-NEPJUHHUSA-N 2 0 248.374 1.471 20 0 BDADRP O=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCC[NH2+]C1 ZINC001580843757 981624650 /nfs/dbraw/zinc/62/46/50/981624650.db2.gz OJZACAJKWSCOLD-UTUOFQBUSA-N 2 0 222.332 1.182 20 0 BDADRP O[C@]12C[C@H]1C[N@H+](CCCC1CC[NH2+]CC1)CC2 ZINC001580885935 981708270 /nfs/dbraw/zinc/70/82/70/981708270.db2.gz SGIJCVNFWXBHCE-UONOGXRCSA-N 2 0 238.375 1.223 20 0 BDADRP CC[C@H](NC)c1nc([C@H](N)c2ccccc2)no1 ZINC001350000168 981839620 /nfs/dbraw/zinc/83/96/20/981839620.db2.gz BBJWCYYQXJMZEJ-WDEREUQCSA-N 2 0 246.314 1.788 20 0 BDADRP C[NH2+][C@H](C)CCNC(=O)c1cccc2c1C[NH2+]C2 ZINC001350399432 981961152 /nfs/dbraw/zinc/96/11/52/981961152.db2.gz UOQPYKSLHMTXER-SNVBAGLBSA-N 2 0 247.342 1.018 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)C1 ZINC001352788912 982582072 /nfs/dbraw/zinc/58/20/72/982582072.db2.gz RLCZNEVTNURIFV-FVCCEPFGSA-N 2 0 224.348 1.225 20 0 BDADRP C([NH2+]C1CCSCC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037408397 982942924 /nfs/dbraw/zinc/94/29/24/982942924.db2.gz OCQLWBVJKRLYBN-NSHDSACASA-N 2 0 240.416 1.956 20 0 BDADRP C[NH2+][C@@H](C)CC[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC001353943192 983093588 /nfs/dbraw/zinc/09/35/88/983093588.db2.gz MKLVQBSRAJOOQV-LBPRGKRZSA-N 3 0 247.386 1.420 20 0 BDADRP [NH3+]Cc1ccc(-c2ccc3c(n2)CC[NH2+]C3)cc1 ZINC001241911240 983126097 /nfs/dbraw/zinc/12/60/97/983126097.db2.gz JHGDOMAESOZADT-UHFFFAOYSA-N 2 0 239.322 1.853 20 0 BDADRP Cc1cc(N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc[nH+]1 ZINC001354129427 983168448 /nfs/dbraw/zinc/16/84/48/983168448.db2.gz GQSMWNVHINMYSS-HZMBPMFUSA-N 2 0 231.343 1.707 20 0 BDADRP Cc1cc(N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)nc(N)[nH+]1 ZINC001354132224 983169186 /nfs/dbraw/zinc/16/91/86/983169186.db2.gz VRMCGAPWQMBMJN-KWQFWETISA-N 2 0 247.346 1.262 20 0 BDADRP C[N@@H+]1CCC[C@H](CCNc2nccnc2C[NH3+])C1 ZINC001354217866 983200184 /nfs/dbraw/zinc/20/01/84/983200184.db2.gz YCPWSKGUYRJHDX-LLVKDONJSA-N 2 0 249.362 1.079 20 0 BDADRP C[C@H](CCNC(=O)c1ccccc1C[NH3+])[NH+](C)C ZINC001354247795 983224836 /nfs/dbraw/zinc/22/48/36/983224836.db2.gz RGFUZELFCRLCBV-LLVKDONJSA-N 2 0 249.358 1.215 20 0 BDADRP CC1(C)C[NH2+]C[C@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC001356049439 983564547 /nfs/dbraw/zinc/56/45/47/983564547.db2.gz IPYZEAWSCAPGCN-HTAVTVPLSA-N 3 0 225.380 1.092 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1NCc1nccn1C1CC1 ZINC001356082646 983571697 /nfs/dbraw/zinc/57/16/97/983571697.db2.gz ARNHENCUMXXDBM-AAEUAGOBSA-N 2 0 248.374 1.825 20 0 BDADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)Nc1ccc(C[NH3+])cc1 ZINC001357454410 983719950 /nfs/dbraw/zinc/71/99/50/983719950.db2.gz VJLNWFMMCDDQST-GXFFZTMASA-N 2 0 249.358 1.847 20 0 BDADRP c1cc(-c2ncnc3c2C[NH2+]C3)cc2c1C[NH2+]C2 ZINC001242673664 984040435 /nfs/dbraw/zinc/04/04/35/984040435.db2.gz HFDSAFKYKICGJT-UHFFFAOYSA-N 2 0 238.294 1.350 20 0 BDADRP Nc1cc[nH+]cc1-c1ccc2c(c1)C[NH2+]C2 ZINC001242676426 984046384 /nfs/dbraw/zinc/04/63/84/984046384.db2.gz SJLPDYFJJITLJI-UHFFFAOYSA-N 2 0 211.268 1.764 20 0 BDADRP C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccc2c[nH+]cn2c1 ZINC001576097084 984153656 /nfs/dbraw/zinc/15/36/56/984153656.db2.gz SITLBBXEVZTOFM-IUCAKERBSA-N 2 0 232.287 1.256 20 0 BDADRP C[C@@H]([NH3+])C[NH2+][C@@H]1CCOCC12CCCC2 ZINC001576160124 984156686 /nfs/dbraw/zinc/15/66/86/984156686.db2.gz YMPNTXHGTKXJCN-GHMZBOCLSA-N 2 0 212.337 1.273 20 0 BDADRP C[C@H]([NH3+])C[NH2+][C@@H]1CCOCC12CCCC2 ZINC001576160127 984158781 /nfs/dbraw/zinc/15/87/81/984158781.db2.gz YMPNTXHGTKXJCN-WDEREUQCSA-N 2 0 212.337 1.273 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H]2CC23CC(O)C3)C1 ZINC001576478503 984168856 /nfs/dbraw/zinc/16/88/56/984168856.db2.gz ACJSERAHPQHLKQ-KTEZZQQRSA-N 2 0 238.375 1.268 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2Cc3ccccc3[C@H]2O)CC[NH2+]C1 ZINC001576525251 984173224 /nfs/dbraw/zinc/17/32/24/984173224.db2.gz CTAYHQPPBPDTNW-KFWWJZLASA-N 2 0 246.354 1.234 20 0 BDADRP COC(=O)[C@H](C)C[N@@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205981807 984185051 /nfs/dbraw/zinc/18/50/51/984185051.db2.gz HHAMASGAXOSYLJ-QJPTWQEYSA-N 2 0 242.363 1.102 20 0 BDADRP CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1COC2(C[NH2+]C2)C1 ZINC001577388314 984196015 /nfs/dbraw/zinc/19/60/15/984196015.db2.gz PEHZSLVEYMEDCM-AVGNSLFASA-N 2 0 240.391 1.922 20 0 BDADRP C[NH2+]C[C@H](O)C[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC001578654390 984218864 /nfs/dbraw/zinc/21/88/64/984218864.db2.gz OJNVNLDFPCWKMB-LSDHHAIUSA-N 2 0 248.370 1.794 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+]C[C@@H](C)c1ccncc1 ZINC001579002027 984245485 /nfs/dbraw/zinc/24/54/85/984245485.db2.gz NASZETDOYULYHV-YPMHNXCESA-N 2 0 237.347 1.139 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cc3cnccc3o2)C[C@H]1C[NH3+] ZINC001579440512 984277050 /nfs/dbraw/zinc/27/70/50/984277050.db2.gz GNBAEHRQBMMXLH-ZYHUDNBSSA-N 2 0 245.326 1.854 20 0 BDADRP OCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000717632202 984338299 /nfs/dbraw/zinc/33/82/99/984338299.db2.gz MOIXMUIAZHAGRQ-FOSCPWQOSA-N 2 0 224.348 1.022 20 0 BDADRP C[NH2+]Cc1cccc(-c2ccc(C[NH3+])nc2)c1 ZINC001242997476 984362501 /nfs/dbraw/zinc/36/25/01/984362501.db2.gz DFCBGYRDKXGSSK-UHFFFAOYSA-N 2 0 227.311 1.927 20 0 BDADRP CC[N@H+]1C[C@@H]2CC[NH+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001275084771 984476782 /nfs/dbraw/zinc/47/67/82/984476782.db2.gz FJFUPIXLOZIDLJ-OKILXGFUSA-N 2 0 248.374 1.573 20 0 BDADRP C[N@H+]1CC[C@H]2C[NH+](C[C@H]3CCOC3)C[C@H]2CC1 ZINC001275167661 984508373 /nfs/dbraw/zinc/50/83/73/984508373.db2.gz FWQOATCRBDJIRP-MCIONIFRSA-N 2 0 238.375 1.297 20 0 BDADRP C[N@@H+]1CCC2(C1)CC[NH+](C[C@H]1CCOC1)CC2 ZINC001275168772 984512118 /nfs/dbraw/zinc/51/21/18/984512118.db2.gz NBVPQZNWLNHEON-CYBMUJFWSA-N 2 0 238.375 1.441 20 0 BDADRP C[NH2+][C@@]12CC[C@@]([NH2+]C[C@H]3CCOC3)(C1)CCC2 ZINC001275169507 984514123 /nfs/dbraw/zinc/51/41/23/984514123.db2.gz XVBRJJPXNRJEMW-HZSPNIEDSA-N 2 0 238.375 1.677 20 0 BDADRP C[NH+](C)Cc1c[nH]c2ncc(C3=CC[NH2+]C3)cc12 ZINC001243110702 984571944 /nfs/dbraw/zinc/57/19/44/984571944.db2.gz DILLHFBMQXVIJY-UHFFFAOYSA-N 2 0 242.326 1.611 20 0 BDADRP C[C@H](Cc1ccncc1)[NH2+]C[C@H]1CC[N@H+](C)C1 ZINC001256719821 984574538 /nfs/dbraw/zinc/57/45/38/984574538.db2.gz UATANOAYWFCISI-TZMCWYRMSA-N 2 0 233.359 1.554 20 0 BDADRP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]C1CC(c2ccccc2)C1 ZINC001580884751 984617910 /nfs/dbraw/zinc/61/79/10/984617910.db2.gz OOXNQAVVDRKCQO-HXSCFSKGSA-N 2 0 246.354 1.103 20 0 BDADRP O[C@@H]1CC[C@H]2CC[N@H+](C[C@H]3CCCC[NH2+]C3)[C@@H]12 ZINC001580884683 984619297 /nfs/dbraw/zinc/61/92/97/984619297.db2.gz MBSGCHGDMZGLHV-IGQOVBAYSA-N 2 0 238.375 1.221 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]C1CC2(C[NH2+]C2)C1 ZINC001577687597 984639243 /nfs/dbraw/zinc/63/92/43/984639243.db2.gz LVWNWRKCUGTMSN-LBPRGKRZSA-N 3 0 239.407 1.448 20 0 BDADRP CC[N@H+](CCNC(=O)[C@](C)(CC)C[NH3+])C(C)C ZINC001577722758 984669535 /nfs/dbraw/zinc/66/95/35/984669535.db2.gz JWOHCPOGXOSSQF-CYBMUJFWSA-N 2 0 243.395 1.208 20 0 BDADRP CC[NH+]1CCC(CN[C@H](CC[NH3+])C(F)F)CC1 ZINC001577763488 984742503 /nfs/dbraw/zinc/74/25/03/984742503.db2.gz CJHFTYSFVPPHOP-LLVKDONJSA-N 2 0 249.349 1.290 20 0 BDADRP CCOC(=O)[C@H](C)[C@@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC001577908864 984817517 /nfs/dbraw/zinc/81/75/17/984817517.db2.gz VMZGTJAPERIKTJ-QYNFOATHSA-N 2 0 242.363 1.434 20 0 BDADRP CCOC(=O)C1CCC([NH2+][C@H]2C[C@H]([NH3+])C2)CC1 ZINC001577931356 984821448 /nfs/dbraw/zinc/82/14/48/984821448.db2.gz GQBPFVAKQYOEOQ-ANRVXECHSA-N 2 0 240.347 1.188 20 0 BDADRP CCO[C@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(C)C1)C1CC1 ZINC001578076072 984842074 /nfs/dbraw/zinc/84/20/74/984842074.db2.gz ZPFOKTGHQYAATG-MCIONIFRSA-N 2 0 238.375 1.343 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]([NH3+])C2)C12CCCC2 ZINC001578093077 984844256 /nfs/dbraw/zinc/84/42/56/984844256.db2.gz FIHDSEVWTGLEAT-FDYHWXHSSA-N 2 0 238.375 1.804 20 0 BDADRP CCOC1CC([N@H+](C)C[C@@H](C[NH3+])C(C)C)C1 ZINC001578088015 984844334 /nfs/dbraw/zinc/84/43/34/984844334.db2.gz XWAJKSZGSPYVEV-PNESKVBLSA-N 2 0 228.380 1.717 20 0 BDADRP CCOC1CC([NH2+][C@@H]2CCCC[C@H]2[NH3+])C1 ZINC001578093861 984849249 /nfs/dbraw/zinc/84/92/49/984849249.db2.gz KDLLPZAJGPQZBD-KIDURHIOSA-N 2 0 212.337 1.413 20 0 BDADRP CCO[C@H]1CCC[C@@H]([NH2+]CCOCCC[NH3+])C1 ZINC001578097929 984849413 /nfs/dbraw/zinc/84/94/13/984849413.db2.gz NKPZUIOXTZQLFZ-OLZOCXBDSA-N 2 0 244.379 1.289 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)CC[NH3+])[C@]12CCCO2 ZINC001578148530 984854316 /nfs/dbraw/zinc/85/43/16/984854316.db2.gz BDWCPJYLUKAYMJ-FDYHWXHSSA-N 2 0 242.363 1.040 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)[C@H]1OC ZINC001578148619 984855463 /nfs/dbraw/zinc/85/54/63/984855463.db2.gz DMQFLCLGLOIWNP-UJPOAAIJSA-N 2 0 242.363 1.038 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]CCC2C[NH2+]C2)[C@@H]1SC ZINC001578159201 984860437 /nfs/dbraw/zinc/86/04/37/984860437.db2.gz VZAXXVSERCMIKU-UTUOFQBUSA-N 2 0 244.404 1.095 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+]CC(C)(C)C[NH3+])C1 ZINC001578160901 984863432 /nfs/dbraw/zinc/86/34/32/984863432.db2.gz FCRPPAYJOFZTKT-MGCOHNPYSA-N 2 0 200.326 1.128 20 0 BDADRP CC[C@H](O)C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000691910123 984939674 /nfs/dbraw/zinc/93/96/74/984939674.db2.gz OJHITNBDJLUUEO-ZDUSSCGKSA-N 2 0 240.391 1.565 20 0 BDADRP C[NH+]1CCC2(CC1)CC[NH+](CCC[NH3+])CC2 ZINC000691929282 984959984 /nfs/dbraw/zinc/95/99/84/984959984.db2.gz KMTMUSIUDLCSAY-UHFFFAOYSA-N 3 0 225.380 1.143 20 0 BDADRP CCc1onc(C)c1C[NH2+]C1CC2(CC([NH3+])C2)C1 ZINC001578338164 984976222 /nfs/dbraw/zinc/97/62/22/984976222.db2.gz VFRWCCXOPVMBTP-UHFFFAOYSA-N 2 0 249.358 1.905 20 0 BDADRP CN(CC[N@H+](C)C1CC1)C[C@@H]1CC(F)(F)C[NH2+]1 ZINC001578470161 985106644 /nfs/dbraw/zinc/10/66/44/985106644.db2.gz QXDXOGVSQBOOBS-JTQLQIEISA-N 2 0 247.333 1.010 20 0 BDADRP C[N@@H+](C[C@H]1CCCO1)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578486569 985118623 /nfs/dbraw/zinc/11/86/23/985118623.db2.gz QIYPIIQYQCYPKW-QJPTWQEYSA-N 2 0 212.337 1.225 20 0 BDADRP c1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000040409655 985137924 /nfs/dbraw/zinc/13/79/24/985137924.db2.gz WKHMICDLAHTTOY-ZDUSSCGKSA-N 2 0 204.317 1.776 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]C3CC(CC[NH3+])C3)[C@@H]2C1 ZINC001578520896 985145568 /nfs/dbraw/zinc/14/55/68/985145568.db2.gz IUETXAKSZHUIJN-XTNFGFQESA-N 3 0 237.391 1.044 20 0 BDADRP CN1CCC[C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001578528047 985147482 /nfs/dbraw/zinc/14/74/82/985147482.db2.gz BPQGODFCBJYKED-XJFOESAGSA-N 2 0 237.391 1.201 20 0 BDADRP CN1CC[C@@H]2C[N@H+](CC[C@@H]3CCC[NH2+]C3)C[C@@H]21 ZINC001578541114 985176700 /nfs/dbraw/zinc/17/67/00/985176700.db2.gz PUPMXFHQFKSMJY-MJBXVCDLSA-N 2 0 237.391 1.012 20 0 BDADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@@H](C(C)C)C1 ZINC001578622697 985234667 /nfs/dbraw/zinc/23/46/67/985234667.db2.gz YNKPREJXXXLMTD-OLZOCXBDSA-N 2 0 228.380 1.325 20 0 BDADRP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCC[C@H](SC)C1 ZINC001578638364 985250115 /nfs/dbraw/zinc/25/01/15/985250115.db2.gz MLIMXXDHWLJRNX-AXFHLTTASA-N 2 0 216.394 1.858 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](CC23CC(C)(C2)OC3)C1 ZINC001578664315 985279858 /nfs/dbraw/zinc/27/98/58/985279858.db2.gz QPYQCCIJLYMKMH-PNESKVBLSA-N 2 0 224.348 1.097 20 0 BDADRP C[NH2+]CC[C@H]1CCCC[N@@H+]1C[C@@H](O)CSC ZINC001578677186 985285939 /nfs/dbraw/zinc/28/59/39/985285939.db2.gz YNGPPRDAFJNLIQ-VXGBXAGGSA-N 2 0 246.420 1.174 20 0 BDADRP C[NH2+]CCCC(=O)NCc1c[nH]c(C(C)C)n1 ZINC001578680939 985287422 /nfs/dbraw/zinc/28/74/22/985287422.db2.gz PYIPPJDQNSOEEM-UHFFFAOYSA-N 2 0 238.335 1.149 20 0 BDADRP C[NH2+]CCC[N@@H+]1C[C@H]2CSC[C@@]2(C)C1 ZINC001578686946 985300163 /nfs/dbraw/zinc/30/01/63/985300163.db2.gz FMFGDKHSTVNTLD-WDEREUQCSA-N 2 0 214.378 1.281 20 0 BDADRP C[NH2+]CCCN(C)C(C)(C)C[NH+]1CCCC1 ZINC001578687491 985300240 /nfs/dbraw/zinc/30/02/40/985300240.db2.gz REKDBKQLJNQERL-UHFFFAOYSA-N 2 0 227.396 1.402 20 0 BDADRP CNc1ccccc1C[NH2+]CCOCCC[NH3+] ZINC001578763085 985326191 /nfs/dbraw/zinc/32/61/91/985326191.db2.gz AXVHDCJFWUQBLK-UHFFFAOYSA-N 2 0 237.347 1.183 20 0 BDADRP COC(=O)[C@@H](C[NH2+]C1CC(C[NH3+])C1)CC(C)C ZINC001578774718 985340470 /nfs/dbraw/zinc/34/04/70/985340470.db2.gz RTVAQYQTYOWNTC-MOENNCHZSA-N 2 0 242.363 1.149 20 0 BDADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001578788333 985352927 /nfs/dbraw/zinc/35/29/27/985352927.db2.gz IZIXQOSYRKHUDJ-IRCOFANPSA-N 2 0 240.347 1.045 20 0 BDADRP COC(=O)CC1([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)CCC1 ZINC001578803495 985374833 /nfs/dbraw/zinc/37/48/33/985374833.db2.gz RBAGTJVAILENNE-WDEREUQCSA-N 2 0 240.347 1.189 20 0 BDADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C2CC(CC[NH3+])C2)C1 ZINC001578833576 985409476 /nfs/dbraw/zinc/40/94/76/985409476.db2.gz ZIKPOPJLZQXPQP-UPOSSJBDSA-N 2 0 240.347 1.045 20 0 BDADRP CO[C@](C)(C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(C)C1)C1CC1 ZINC001578897669 985476623 /nfs/dbraw/zinc/47/66/23/985476623.db2.gz NAPKODSKLMGCHT-HZSPNIEDSA-N 2 0 238.375 1.343 20 0 BDADRP C[C@@H]1COC[C@H]1[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000688022586 985489559 /nfs/dbraw/zinc/48/95/59/985489559.db2.gz FIUQOVGXWBNFOW-MGPQQGTHSA-N 2 0 240.391 1.875 20 0 BDADRP CO[C@@H](C)C[NH2+]Cc1ccc(C[NH3+])cc1F ZINC001578903193 985497502 /nfs/dbraw/zinc/49/75/02/985497502.db2.gz SXTSUGLBLVLYDV-VIFPVBQESA-N 2 0 226.295 1.409 20 0 BDADRP C[C@H](C[NH2+][C@H]1COC[C@@H]1C)C[NH+]1CCCCC1 ZINC000688025471 985501790 /nfs/dbraw/zinc/50/17/90/985501790.db2.gz PEXXDAQWIIMOQW-RDBSUJKOSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H](C[NH2+][C@H]1COC[C@H]1C)C[NH+]1CCCCC1 ZINC000688025466 985504492 /nfs/dbraw/zinc/50/44/92/985504492.db2.gz PEXXDAQWIIMOQW-MCIONIFRSA-N 2 0 240.391 1.733 20 0 BDADRP CO[C@H](C[NH2+][C@@H](C)[C@@H](C)[NH3+])CC(C)C ZINC001578912318 985511853 /nfs/dbraw/zinc/51/18/53/985511853.db2.gz CGPMABCMAHIINM-VWYCJHECSA-N 2 0 202.342 1.373 20 0 BDADRP COC1(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)CCC1 ZINC001578926992 985525780 /nfs/dbraw/zinc/52/57/80/985525780.db2.gz RZBJOBYEBDNRNM-GHMZBOCLSA-N 2 0 212.337 1.082 20 0 BDADRP CO[C@H]1CCC[C@H]([NH2+][C@H]2CC[NH2+][C@@H]2C)C1 ZINC001578936379 985541049 /nfs/dbraw/zinc/54/10/49/985541049.db2.gz DFLKPQMRJKBZBW-RHYQMDGZSA-N 2 0 212.337 1.284 20 0 BDADRP CO[C@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C[C@@H]1C ZINC001578940272 985553249 /nfs/dbraw/zinc/55/32/49/985553249.db2.gz CZNOSDPGWRPKSF-XQQFMLRXSA-N 2 0 226.364 1.343 20 0 BDADRP COC[C@@H](C[NH2+]C[C@@H]([NH3+])CCC(C)(C)C)OC ZINC001578961312 985584397 /nfs/dbraw/zinc/58/43/97/985584397.db2.gz HHSHXVFBAUPLTA-NWDGAFQWSA-N 2 0 246.395 1.391 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@H]2C2CCC2)C1 ZINC000688303249 985604185 /nfs/dbraw/zinc/60/41/85/985604185.db2.gz RMRICIXGBZKSGP-UHTWSYAYSA-N 2 0 208.349 1.988 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+]CC1Cc2ccccc2C1 ZINC001579002370 985651016 /nfs/dbraw/zinc/65/10/16/985651016.db2.gz AUMWCTCWIHZKBG-HNNXBMFYSA-N 2 0 248.370 1.355 20 0 BDADRP Nc1[nH]c2cc(C3=C[NH2+]CCC3)ccc2[nH+]1 ZINC001243950614 985652341 /nfs/dbraw/zinc/65/23/41/985652341.db2.gz IKFNHPKRGOKNRD-UHFFFAOYSA-N 2 0 214.272 1.869 20 0 BDADRP COCC[C@@H]([NH3+])C[NH2+]C[C@H](SC)C(C)(C)C ZINC001579002689 985655571 /nfs/dbraw/zinc/65/55/71/985655571.db2.gz SNFWBTULPLMVAU-MNOVXSKESA-N 2 0 248.436 1.718 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC001579003842 985660901 /nfs/dbraw/zinc/66/09/01/985660901.db2.gz MFPXYUZKQMBMOG-XHNCKOQMSA-N 2 0 240.269 1.138 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+][C@@H](C(C)C)C1CC1 ZINC001579003001 985663856 /nfs/dbraw/zinc/66/38/56/985663856.db2.gz WPEHRIFAKBLYGB-RYUDHWBXSA-N 2 0 214.353 1.374 20 0 BDADRP COCC[C@@H]([NH3+])C[NH2+][C@H](C(C)C)C1CC1 ZINC001579003002 985665889 /nfs/dbraw/zinc/66/58/89/985665889.db2.gz WPEHRIFAKBLYGB-VXGBXAGGSA-N 2 0 214.353 1.374 20 0 BDADRP [NH3+]CCc1ccc(C2=C[NH2+]CCC2)cc1 ZINC001243953147 985667341 /nfs/dbraw/zinc/66/73/41/985667341.db2.gz WFFUQJCLMIRDBT-UHFFFAOYSA-N 2 0 202.301 1.912 20 0 BDADRP COCCc1ncc(C[NH2+][C@H](C)CC[NH3+])s1 ZINC001579067642 985694086 /nfs/dbraw/zinc/69/40/86/985694086.db2.gz LKIGOWSUBXJMOD-SECBINFHSA-N 2 0 243.376 1.159 20 0 BDADRP CS[C@@H]1CCC[C@@H]([NH2+]CC[C@H](C)[NH3+])C1 ZINC001579370544 985864805 /nfs/dbraw/zinc/86/48/05/985864805.db2.gz RWPIEHFLUFBFEC-HBNTYKKESA-N 2 0 216.394 1.988 20 0 BDADRP C[C@@H]1C[N@H+](CCC[C@H]2CCO2)C[C@H]1C[NH3+] ZINC001579440511 985919100 /nfs/dbraw/zinc/91/91/00/985919100.db2.gz GHVQXTKRJQRWIH-UTUOFQBUSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@@H]1C[N@H+](CC23CC(C)(C2)OC3)C[C@H]1C[NH3+] ZINC001579439929 985931351 /nfs/dbraw/zinc/93/13/51/985931351.db2.gz CWOAHLJIAGEODA-OKZRHMCRSA-N 2 0 224.348 1.082 20 0 BDADRP C[C@@H]1CN(c2cc[nH+]cc2C(F)(F)F)C[C@H]1[NH3+] ZINC001579444591 985934816 /nfs/dbraw/zinc/93/48/16/985934816.db2.gz WVGVXRVSSBQDJA-VXNVDRBHSA-N 2 0 245.248 1.884 20 0 BDADRP Cc1c[nH]c(=O)c(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC001579544011 986074104 /nfs/dbraw/zinc/07/41/04/986074104.db2.gz OJPCQVSEWOXLOS-NWDGAFQWSA-N 2 0 247.342 1.455 20 0 BDADRP Cc1c[nH]c(=O)c(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c1 ZINC001579543846 986077024 /nfs/dbraw/zinc/07/70/24/986077024.db2.gz LHQBJGUYJKCNSY-ZYHUDNBSSA-N 2 0 235.331 1.313 20 0 BDADRP Cc1c[nH]c(=O)c(C[NH2+]C2CCC(C[NH3+])CC2)c1 ZINC001579544377 986077176 /nfs/dbraw/zinc/07/71/76/986077176.db2.gz VSBBQZVPXVYSQJ-UHFFFAOYSA-N 2 0 249.358 1.703 20 0 BDADRP Cc1cc(C[NH+]2CCC3(C[NH2+]C3)CC2)cc(C)n1 ZINC001579598120 986111028 /nfs/dbraw/zinc/11/10/28/986111028.db2.gz CPVYSDNBRLFZRP-UHFFFAOYSA-N 2 0 245.370 1.884 20 0 BDADRP Cc1cc(C[NH2+]C[C@@H]2CCC[NH2+]CC2)n(C)n1 ZINC001579600732 986112196 /nfs/dbraw/zinc/11/21/96/986112196.db2.gz BPRMPNCNBAWJIJ-GFCCVEGCSA-N 2 0 236.363 1.208 20 0 BDADRP CC(C)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC001461682778 986117277 /nfs/dbraw/zinc/11/72/77/986117277.db2.gz LLDTUUNYWGFKJN-UHFFFAOYSA-N 2 0 234.347 1.654 20 0 BDADRP CC[C@H](C[C@@H](C)CC)[N@H+](CCN)CCO ZINC001258778867 986162043 /nfs/dbraw/zinc/16/20/43/986162043.db2.gz MUBFVERDSLZQSC-NWDGAFQWSA-N 2 0 216.369 1.454 20 0 BDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1C[C@H]1[NH3+] ZINC001579690152 986171919 /nfs/dbraw/zinc/17/19/19/986171919.db2.gz BIAQDMKUMVMGKG-NWDGAFQWSA-N 2 0 247.342 1.342 20 0 BDADRP Cc1cccnc1CC[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001579807591 986223509 /nfs/dbraw/zinc/22/35/09/986223509.db2.gz GPMUFIBGMUDREG-HRDQMINSSA-N 2 0 231.343 1.402 20 0 BDADRP Cc1cnc(C[NH2+]C[C@H]2CC[C@@H]([NH3+])C2)o1 ZINC001579823210 986248628 /nfs/dbraw/zinc/24/86/28/986248628.db2.gz DGYZYOVSDPKAOQ-VHSXEESVSA-N 2 0 209.293 1.200 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@]2(C)CCO[C@H]2C)CC1 ZINC001462079832 986276530 /nfs/dbraw/zinc/27/65/30/986276530.db2.gz KCQZMMXJKCPSMQ-JSGCOSHPSA-N 2 0 240.391 1.875 20 0 BDADRP CC[N@H+]1C[C@@H]2C[NH+](C[C@H](O)C(C)(C)C)C[C@@H]2C1 ZINC001253732193 986346009 /nfs/dbraw/zinc/34/60/09/986346009.db2.gz FZODLLNEFVVUHR-XQQFMLRXSA-N 2 0 240.391 1.277 20 0 BDADRP C[N@H+](CCCC[NH2+][C@H]1CCn2ccnc21)C1CC1 ZINC001462312043 986346502 /nfs/dbraw/zinc/34/65/02/986346502.db2.gz VYSNFLJAFHUIFU-ZDUSSCGKSA-N 2 0 248.374 1.792 20 0 BDADRP Cn1ccnc1C[NH2+]CC[C@H]1CCC[NH2+]CC1 ZINC001579981417 986378141 /nfs/dbraw/zinc/37/81/41/986378141.db2.gz GLJNHGOWDFNCLJ-LBPRGKRZSA-N 2 0 236.363 1.290 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H](C)C2(CO)CC2)CC1 ZINC001462429252 986387542 /nfs/dbraw/zinc/38/75/42/986387542.db2.gz SRJJCEWXZXVEHH-GFCCVEGCSA-N 2 0 240.391 1.469 20 0 BDADRP Cn1cncc1C[N@@H+]1C[C@H]2CCCC[C@]2(C[NH3+])C1 ZINC001579986084 986388135 /nfs/dbraw/zinc/38/81/35/986388135.db2.gz QTHZAXVMSXOQDX-OCCSQVGLSA-N 2 0 248.374 1.371 20 0 BDADRP Cn1cncc1C1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC001579985354 986391246 /nfs/dbraw/zinc/39/12/46/986391246.db2.gz ZAMQNRPPNPXOHA-GFCCVEGCSA-N 2 0 248.374 1.209 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001462662605 986473502 /nfs/dbraw/zinc/47/35/02/986473502.db2.gz CXPNCRDIXHMUSA-ZOLYEBIHSA-N 2 0 226.364 1.340 20 0 BDADRP Cc1cccc(CC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)n1 ZINC000689406955 986580276 /nfs/dbraw/zinc/58/02/76/986580276.db2.gz USFSBCWRSFRWDN-KGLIPLIRSA-N 2 0 245.370 1.792 20 0 BDADRP [NH3+]C1(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC001580152866 986625703 /nfs/dbraw/zinc/62/57/03/986625703.db2.gz VIFJBLZFRLCHTO-DCAQKATOSA-N 2 0 222.332 1.025 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH+]2CCCC[C@@](C)(O)C2)CC1 ZINC001254517341 986656173 /nfs/dbraw/zinc/65/61/73/986656173.db2.gz URAQEEIRTRYXCQ-ZIAGYGMSSA-N 2 0 240.391 1.708 20 0 BDADRP CCO[C@H]1CCC[N@@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254523770 986661334 /nfs/dbraw/zinc/66/13/34/986661334.db2.gz RKQAQOZHVLQDGS-KGLIPLIRSA-N 2 0 240.391 1.972 20 0 BDADRP CCO[C@@H]1CCC[N@@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254523775 986669702 /nfs/dbraw/zinc/66/97/02/986669702.db2.gz RKQAQOZHVLQDGS-UONOGXRCSA-N 2 0 240.391 1.972 20 0 BDADRP CC(C)O[C@@H]1CC[N@@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254530579 986678421 /nfs/dbraw/zinc/67/84/21/986678421.db2.gz YUJJXSHIRAHVNY-ZIAGYGMSSA-N 2 0 240.391 1.970 20 0 BDADRP [NH3+]CC1(C[N@@H+]2CCC[C@@](O)(C3CC3)C2)CCC1 ZINC001580244506 986693317 /nfs/dbraw/zinc/69/33/17/986693317.db2.gz ZKCWHDZGEKRAED-AWEZNQCLSA-N 2 0 238.375 1.352 20 0 BDADRP [NH3+]C[C@@]12C[N@H+](CCn3ccnc3)C[C@@H]1CCCC2 ZINC001580256452 986706757 /nfs/dbraw/zinc/70/67/57/986706757.db2.gz ULPQVVXOOSYMTQ-KBPBESRZSA-N 2 0 248.374 1.334 20 0 BDADRP [NH3+]C[C@]12C[N@H+](CCn3ccnc3)C[C@H]1CCCC2 ZINC001580256455 986708487 /nfs/dbraw/zinc/70/84/87/986708487.db2.gz ULPQVVXOOSYMTQ-ZIAGYGMSSA-N 2 0 248.374 1.334 20 0 BDADRP [NH3+]CC1CC([NH2+][C@@H]2CCO[C@H]2c2ccccc2)C1 ZINC001580255841 986711075 /nfs/dbraw/zinc/71/10/75/986711075.db2.gz NRHJNXZDUYOLRK-AXVKAWJUSA-N 2 0 246.354 1.844 20 0 BDADRP [NH3+]C[C@@]12C[N@H+](Cc3cn[nH]c3)C[C@H]1CCCC2 ZINC001580254495 986711764 /nfs/dbraw/zinc/71/17/64/986711764.db2.gz CZCCNACGBKZQAM-OLZOCXBDSA-N 2 0 234.347 1.361 20 0 BDADRP [NH3+]CC[C@@H](O)C[N@H+](CC1CC1)CC1CCC1 ZINC001580284433 986728651 /nfs/dbraw/zinc/72/86/51/986728651.db2.gz CKUVSMGGDROZEO-CYBMUJFWSA-N 2 0 226.364 1.208 20 0 BDADRP [NH3+]CCC1CC([NH2+][C@@H]2Cc3ccccc3[C@H]2O)C1 ZINC001580286847 986732505 /nfs/dbraw/zinc/73/25/05/986732505.db2.gz NJCQFWJEBFLAHO-CKCNXQLGSA-N 2 0 246.354 1.362 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](Cc2ncccc2F)C1 ZINC001580288760 986733060 /nfs/dbraw/zinc/73/30/60/986733060.db2.gz WXXCWVVHFNTDAK-JTQLQIEISA-N 2 0 223.295 1.391 20 0 BDADRP [NH3+]CCCC[NH2+]Cc1ccnn1CC1CCC1 ZINC001580295252 986739059 /nfs/dbraw/zinc/73/90/59/986739059.db2.gz VWWHYDAVRNMRLT-UHFFFAOYSA-N 2 0 236.363 1.512 20 0 BDADRP [NH3+]CCCC[NH2+][C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254931364 986748815 /nfs/dbraw/zinc/74/88/15/986748815.db2.gz RDDIDMAEGMRLNW-URLYPYJESA-N 2 0 210.321 1.073 20 0 BDADRP [NH3+]Cc1ccccc1CNc1nccnc1C[NH3+] ZINC001580348381 986780721 /nfs/dbraw/zinc/78/07/21/986780721.db2.gz UWAVRIBCEABRFN-UHFFFAOYSA-N 2 0 243.314 1.006 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@H](O)C23CCCC3)C1 ZINC001580387518 986810958 /nfs/dbraw/zinc/81/09/58/986810958.db2.gz KHDCPHCTPHRUTP-XQQFMLRXSA-N 2 0 238.375 1.493 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC(O)(C(F)F)CC2)C1 ZINC001580387355 986811723 /nfs/dbraw/zinc/81/17/23/986811723.db2.gz AIBCPHRYDPASPM-VHSXEESVSA-N 2 0 248.317 1.206 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+]C[C@@H]2CCCOC2)C1 ZINC001580389452 986815809 /nfs/dbraw/zinc/81/58/09/986815809.db2.gz GWHVCIMTSTXGJI-SDDRHHMPSA-N 2 0 212.337 1.130 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2C[C@H](O)C23CCC3)C1 ZINC001580389529 986817054 /nfs/dbraw/zinc/81/70/54/986817054.db2.gz MXOHKJPSAFFGQU-USZNOCQGSA-N 2 0 224.348 1.007 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2CCO)C1 ZINC001580389488 986817245 /nfs/dbraw/zinc/81/72/45/986817245.db2.gz JVTJJZSGYKEKSB-UMSGYPCISA-N 2 0 226.364 1.255 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCCC[C@H]2F)C1 ZINC001580421894 986840248 /nfs/dbraw/zinc/84/02/48/986840248.db2.gz UPSQUIFVBZGRQA-LMLFDSFASA-N 2 0 200.301 1.594 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc3c[nH]nc3c2)C1 ZINC001580423186 986841279 /nfs/dbraw/zinc/84/12/79/986841279.db2.gz SMYFBVSSOXWPSW-PHIMTYICSA-N 2 0 216.288 1.142 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001580423214 986842421 /nfs/dbraw/zinc/84/24/21/986842421.db2.gz UXXFTVIYVAQDNB-BJHJDKERSA-N 3 0 246.358 1.130 20 0 BDADRP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+]([C@@H]1CCSC1)C2 ZINC001255293165 986892330 /nfs/dbraw/zinc/89/23/30/986892330.db2.gz KOCKSQZLWQZPFE-IJLUTSLNSA-N 2 0 226.389 1.375 20 0 BDADRP CCCC[N@H+](C)CCCN[C@@H]1CC[NH+](C)C1 ZINC001255412122 986935661 /nfs/dbraw/zinc/93/56/61/986935661.db2.gz PPDQJVFXKZLSDZ-CYBMUJFWSA-N 2 0 227.396 1.402 20 0 BDADRP Nc1[nH]c2cc(-c3ccncc3C[NH3+])ccc2[nH+]1 ZINC001245557364 986946853 /nfs/dbraw/zinc/94/68/53/986946853.db2.gz GTRQZYNMJBWPRY-UHFFFAOYSA-N 2 0 239.282 1.666 20 0 BDADRP [NH3+]Cc1cnccc1-c1cccc2c1CC[NH2+]C2 ZINC001245560176 986953022 /nfs/dbraw/zinc/95/30/22/986953022.db2.gz MWMKYXSIEWTPMO-UHFFFAOYSA-N 2 0 239.322 1.853 20 0 BDADRP [NH3+]CCc1ccccc1-c1ccncc1C[NH3+] ZINC001245562604 986958178 /nfs/dbraw/zinc/95/81/78/986958178.db2.gz IYVLBMQWWGAJFX-UHFFFAOYSA-N 2 0 227.311 1.709 20 0 BDADRP C[N@@H+]1CCC[C@H](n2ccnc2CCC[NH3+])C1 ZINC001255480264 986979751 /nfs/dbraw/zinc/97/97/51/986979751.db2.gz UECNNFGHZZOKTI-NSHDSACASA-N 2 0 222.336 1.041 20 0 BDADRP COC[C@H](C)[NH2+][C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001255562680 987016335 /nfs/dbraw/zinc/01/63/35/987016335.db2.gz MSDJJIZWIFEOQB-SRVKXCTJSA-N 2 0 214.353 1.484 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[N@@H+]1C[C@@H](O)C[C@H]1C ZINC001255955732 987097823 /nfs/dbraw/zinc/09/78/23/987097823.db2.gz DBFAPAASYGHHGF-UPJWGTAASA-N 2 0 228.380 1.562 20 0 BDADRP C[C@@H](Cc1ccccn1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC001256394938 987209175 /nfs/dbraw/zinc/20/91/75/987209175.db2.gz ALBXDCPCBDYGIJ-SGMGOOAPSA-N 2 0 233.359 1.872 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+]C[C@H](O)C(C)(C)C)C[NH2+]1 ZINC001245977100 987249933 /nfs/dbraw/zinc/24/99/33/987249933.db2.gz VJGQFQYRULRUFH-WOPDTQHZSA-N 2 0 228.380 1.371 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+]C[C@H](O)c1ccccc1 ZINC001245981671 987260638 /nfs/dbraw/zinc/26/06/38/987260638.db2.gz IPDRJSCNILMZDC-CFVMTHIKSA-N 2 0 248.370 1.698 20 0 BDADRP C[C@](O)(C[NH2+]C[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC001245983762 987266342 /nfs/dbraw/zinc/26/63/42/987266342.db2.gz URFGOWUSPVGIFF-HIFRSBDPSA-N 2 0 248.370 1.483 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](C[NH2+]C[C@@H](O)c2ccccc2)C1 ZINC001245993069 987268876 /nfs/dbraw/zinc/26/88/76/987268876.db2.gz MPERWKFIBUEQEO-KCQAQPDRSA-N 2 0 248.370 1.555 20 0 BDADRP CCCC[C@@H](O)C[N@@H+]1[C@@H](C)CC[C@H]1CN ZINC001246014880 987296386 /nfs/dbraw/zinc/29/63/86/987296386.db2.gz DPFDOPZNLROFGN-SDDRHHMPSA-N 2 0 214.353 1.349 20 0 BDADRP CCCC[C@@H](O)C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001246016540 987300624 /nfs/dbraw/zinc/30/06/24/987300624.db2.gz LWZLVZGBYABQBH-NWDGAFQWSA-N 2 0 214.353 1.351 20 0 BDADRP CCC[C@@H](O)C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246020198 987307157 /nfs/dbraw/zinc/30/71/57/987307157.db2.gz IJJYACPZOZEWAZ-CHWSQXEVSA-N 2 0 228.380 1.598 20 0 BDADRP CC(C)[C@H](O)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001246019904 987309213 /nfs/dbraw/zinc/30/92/13/987309213.db2.gz IYADGHULFSODLI-RWMBFGLXSA-N 2 0 228.380 1.310 20 0 BDADRP C[C@@H]1CCC[N@H+](CCF)[C@@H]1CCC[NH3+] ZINC000693423084 987310258 /nfs/dbraw/zinc/31/02/58/987310258.db2.gz VOKKXDSHQJZPEM-GHMZBOCLSA-N 2 0 202.317 1.795 20 0 BDADRP CCC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001246021619 987312289 /nfs/dbraw/zinc/31/22/89/987312289.db2.gz KYMGBVOZWBEJCS-AGIUHOORSA-N 2 0 228.380 1.454 20 0 BDADRP CCCC[C@@H](O)C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246022032 987314969 /nfs/dbraw/zinc/31/49/69/987314969.db2.gz PCKVBWHPJGMMAP-OLZOCXBDSA-N 2 0 246.370 1.690 20 0 BDADRP CC(C)[C@@H](O)C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246021750 987315025 /nfs/dbraw/zinc/31/50/25/987315025.db2.gz OYTNRZQRHOAPCG-NWDGAFQWSA-N 2 0 232.343 1.156 20 0 BDADRP CC1(C)CN(CCC[NH+]2CCCCC2)C[C@H]1[NH3+] ZINC000695513767 987332473 /nfs/dbraw/zinc/33/24/73/987332473.db2.gz ABUWKMCWRFEWMF-CYBMUJFWSA-N 2 0 239.407 1.532 20 0 BDADRP CCC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001246031905 987333806 /nfs/dbraw/zinc/33/38/06/987333806.db2.gz RJBKLDCTWJBMQW-AGIUHOORSA-N 2 0 228.380 1.454 20 0 BDADRP C[C@H](O)C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001246035324 987337037 /nfs/dbraw/zinc/33/70/37/987337037.db2.gz SREUVKTWAJZNFD-AAEUAGOBSA-N 2 0 226.364 1.221 20 0 BDADRP C[NH2+]CCN[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246073185 987361019 /nfs/dbraw/zinc/36/10/19/987361019.db2.gz QNDHELLWLDCQTK-CABCVRRESA-N 2 0 247.386 1.159 20 0 BDADRP C[C@@H](CC[NH2+][C@@H]1CCCOCC1)[NH+](C)C ZINC000697888945 987366592 /nfs/dbraw/zinc/36/65/92/987366592.db2.gz JWDHPVPZROAJSC-NWDGAFQWSA-N 2 0 214.353 1.485 20 0 BDADRP [NH3+]C1(C[NH2+]C2CCC3(C[NH2+]C3)CC2)CCCC1 ZINC001246076861 987366710 /nfs/dbraw/zinc/36/67/10/987366710.db2.gz RNCMTQBJWOZBKX-UHFFFAOYSA-N 2 0 237.391 1.380 20 0 BDADRP C[C@@H]1CC[C@H](N[C@H](C[NH3+])c2ccccc2)C[NH2+]1 ZINC001246077274 987368361 /nfs/dbraw/zinc/36/83/61/987368361.db2.gz RYMTZLXVVARENW-KWCYVHTRSA-N 2 0 233.359 1.417 20 0 BDADRP CCOCC[C@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246090657 987374165 /nfs/dbraw/zinc/37/41/65/987374165.db2.gz LOLHBSHSICMXRF-NWDGAFQWSA-N 2 0 214.353 1.533 20 0 BDADRP C1C[C@]2(C[NH2+]1)CCC[C@H]([NH2+]C1CC[NH2+]CC1)C2 ZINC001246082080 987377036 /nfs/dbraw/zinc/37/70/36/987377036.db2.gz VWUPPSXLDGSTKL-UONOGXRCSA-N 3 0 237.391 1.250 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]C2CC[NH2+]CC2)CCO1 ZINC001246080571 987378572 /nfs/dbraw/zinc/37/85/72/987378572.db2.gz RKCFQYWMGGUFPH-VXGBXAGGSA-N 2 0 212.337 1.286 20 0 BDADRP C[C@H]1C[C@H](NCCCCCCCC[NH3+])C[NH2+]1 ZINC001246082213 987378737 /nfs/dbraw/zinc/37/87/37/987378737.db2.gz VYLCVSSXPLJTRG-STQMWFEESA-N 2 0 227.396 1.626 20 0 BDADRP Clc1ccnc(CNC2CC[NH2+]CC2)c1 ZINC001246083696 987380815 /nfs/dbraw/zinc/38/08/15/987380815.db2.gz HSAMPYJXTHFTNX-UHFFFAOYSA-N 2 0 225.723 1.577 20 0 BDADRP C[C@H]1CC[C@H](N[C@@H]2CC[NH2+]C(C)(C)C2)C[NH2+]1 ZINC001246087665 987389685 /nfs/dbraw/zinc/38/96/85/987389685.db2.gz ZTWXLPKQUAWAMK-TUAOUCFPSA-N 2 0 225.380 1.247 20 0 BDADRP C[C@@H]1CC[C@@H](CN[C@@H]2CCCC[NH2+]C2)C[NH2+]1 ZINC001246089685 987394975 /nfs/dbraw/zinc/39/49/75/987394975.db2.gz CZWZLKKXQDCGNF-JHJVBQTASA-N 2 0 225.380 1.106 20 0 BDADRP CC(C)[C@@H]1C[C@H](N[C@@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC001246089550 987395012 /nfs/dbraw/zinc/39/50/12/987395012.db2.gz GHFZKZPOHATRKE-MCIONIFRSA-N 2 0 239.407 1.495 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[NH2+]C2)CCO1 ZINC001246090952 987399579 /nfs/dbraw/zinc/39/95/79/987399579.db2.gz NRBVWISANANETJ-JHJVBQTASA-N 2 0 226.364 1.676 20 0 BDADRP CC(C)[C@H]1C[C@H](N[C@H]2CC[NH2+]C[C@@H]2F)CC[NH2+]1 ZINC001246093336 987400822 /nfs/dbraw/zinc/40/08/22/987400822.db2.gz UMFXWCDTTGFRFJ-MROQNXINSA-N 2 0 243.370 1.053 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCC[NH2+]CC2)CC[NH2+]1 ZINC001246093856 987401496 /nfs/dbraw/zinc/40/14/96/987401496.db2.gz LFZPYVVNLOGEGO-HZSPNIEDSA-N 3 0 239.407 1.496 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](C[NH2+]C2CCSCC2)C1 ZINC001246095371 987404861 /nfs/dbraw/zinc/40/48/61/987404861.db2.gz BKFYXHVRWDDBAX-WDEREUQCSA-N 2 0 228.405 1.717 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](CN[C@H]2CCC[N@H+](C)CC2)C1 ZINC001246097178 987410503 /nfs/dbraw/zinc/41/05/03/987410503.db2.gz GNWZFCUGTDUJNY-IHRRRGAJSA-N 2 0 239.407 1.306 20 0 BDADRP C[NH2+]C1CCC([NH2+]C[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246098920 987413801 /nfs/dbraw/zinc/41/38/01/987413801.db2.gz QKWOHQLURWQQFA-FEPKRQSRSA-N 3 0 239.407 1.495 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](C[NH2+][C@@H]2CCSC2)C1 ZINC001246099713 987417173 /nfs/dbraw/zinc/41/71/73/987417173.db2.gz MLJXIBHGBVYXIO-GARJFASQSA-N 2 0 214.378 1.327 20 0 BDADRP CCCC[C@H]1C[C@@H](N[C@@H]2CC[NH2+][C@@H]2C)CC[NH2+]1 ZINC001246100483 987419644 /nfs/dbraw/zinc/41/96/44/987419644.db2.gz DZBDDTOBGHXWEZ-ZOBORPQBSA-N 2 0 239.407 1.637 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1N[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246100012 987419799 /nfs/dbraw/zinc/41/97/99/987419799.db2.gz CEMBTSOQRCXQRV-IJLUTSLNSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+][C@H]2CCCOCC2)C[NH2+]1 ZINC001246099427 987421222 /nfs/dbraw/zinc/42/12/22/987421222.db2.gz QZFHMWAAMXFTMW-UPJWGTAASA-N 2 0 226.364 1.533 20 0 BDADRP CC(C)([NH3+])C[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246100766 987422092 /nfs/dbraw/zinc/42/20/92/987422092.db2.gz NPWDFHWPAZTGJF-UHFFFAOYSA-N 3 0 239.407 1.626 20 0 BDADRP CCOCC[C@H](C)[NH2+]C[C@H]1CC[C@H](C)C[NH2+]1 ZINC001246104054 987430507 /nfs/dbraw/zinc/43/05/07/987430507.db2.gz INPNRVJABCJRIW-RWMBFGLXSA-N 2 0 228.380 1.779 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)[NH2+]C1 ZINC001246105653 987432471 /nfs/dbraw/zinc/43/24/71/987432471.db2.gz NFZHABCQCFUHIY-UJPOAAIJSA-N 2 0 208.349 1.763 20 0 BDADRP CC[C@@H]1CC(N[C@H]2C[NH2+]C[C@@H]2C)C[C@@H](CC)[NH2+]1 ZINC001246110033 987440593 /nfs/dbraw/zinc/44/05/93/987440593.db2.gz PVCYMQAPFNNPQQ-SFTQSGBHSA-N 2 0 239.407 1.493 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[NH2+]CC[C@@H]2C)CCO1 ZINC001246110361 987440995 /nfs/dbraw/zinc/44/09/95/987440995.db2.gz HVCNSPWYBJPERW-UMSGYPCISA-N 2 0 226.364 1.389 20 0 BDADRP CC(C)CC(CC(C)C)[NH2+]CCC1(O)C[NH2+]C1 ZINC001246109351 987441495 /nfs/dbraw/zinc/44/14/95/987441495.db2.gz BIIBXBODXHWWNU-UHFFFAOYSA-N 2 0 242.407 1.761 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@@H](C)C[NH2+]2)CCO1 ZINC001246108800 987441925 /nfs/dbraw/zinc/44/19/25/987441925.db2.gz WPEFNHMVOXQNSO-YIYPIFLZSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]1CC[C@H](NC[C@@H]2CCC[NH2+][C@H]2C)C[NH2+]1 ZINC001246109656 987442096 /nfs/dbraw/zinc/44/20/96/987442096.db2.gz KJWFJTIKEBRHEH-VOAKCMCISA-N 2 0 225.380 1.105 20 0 BDADRP C(N[C@H]1CCCC[NH2+]C1)[C@@H]1CCCC[NH2+]C1 ZINC001246109211 987442102 /nfs/dbraw/zinc/44/21/02/987442102.db2.gz ACKMGJBUISYDKC-OLZOCXBDSA-N 2 0 225.380 1.108 20 0 BDADRP CCCC[C@@H]1C[C@H](N[C@@H]2C[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC001246113576 987449327 /nfs/dbraw/zinc/44/93/27/987449327.db2.gz DDRBFCDBDCVHSA-REWJHTLYSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H]1C[C@@H](NC[C@@H]2CCC[NH2+][C@@H]2C)C[C@H](C)[NH2+]1 ZINC001246113858 987449466 /nfs/dbraw/zinc/44/94/66/987449466.db2.gz ULSVEWNHRQOSJC-XHJNMGKDSA-N 2 0 239.407 1.493 20 0 BDADRP CSCC[C@H](C)[NH2+]C[C@H]1C[NH2+]CC[C@H]1C ZINC001246114044 987450470 /nfs/dbraw/zinc/45/04/70/987450470.db2.gz RWIHKDIYNNEFDC-GRYCIOLGSA-N 2 0 230.421 1.963 20 0 BDADRP CCCC[C@@H]1C[C@@H](N[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246113710 987450540 /nfs/dbraw/zinc/45/05/40/987450540.db2.gz ZDHMYRXJONHBJC-HZSPNIEDSA-N 2 0 239.407 1.639 20 0 BDADRP CC(C)[C@H]1C[C@H](N[C@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC001246115104 987453047 /nfs/dbraw/zinc/45/30/47/987453047.db2.gz GHFZKZPOHATRKE-HZSPNIEDSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H]1C[C@@H](N2C[C@H]([NH3+])Cc3ccccc32)CC[NH2+]1 ZINC001246116295 987458820 /nfs/dbraw/zinc/45/88/20/987458820.db2.gz YLWODFHCPQUURI-BNOWGMLFSA-N 2 0 245.370 1.517 20 0 BDADRP CCSC[C@H](C)[NH2+]C[C@@H]1C[NH2+]CC[C@H]1C ZINC001246118790 987463591 /nfs/dbraw/zinc/46/35/91/987463591.db2.gz INNGTODNGXYJDC-WOPDTQHZSA-N 2 0 230.421 1.963 20 0 BDADRP C[C@H]1C[NH2+]C[C@H]1N[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246118066 987463786 /nfs/dbraw/zinc/46/37/86/987463786.db2.gz VJOOIJKFINVKAI-LOWDOPEQSA-N 2 0 239.407 1.351 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2CCC[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC001246119624 987465472 /nfs/dbraw/zinc/46/54/72/987465472.db2.gz WRTCEFPMHBYMRI-LOWDOPEQSA-N 2 0 225.380 1.105 20 0 BDADRP C1C[C@@]2(C[NH2+]1)CCC[C@H]([NH2+][C@H]1CCCNC1)C2 ZINC001246121010 987467220 /nfs/dbraw/zinc/46/72/20/987467220.db2.gz VKOXWZOJDPXKEM-IHRRRGAJSA-N 2 0 237.391 1.250 20 0 BDADRP CC(C)(C)[C@H]1C[C@@H](N[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246121625 987468716 /nfs/dbraw/zinc/46/87/16/987468716.db2.gz BYUQPNWRCOJOLQ-RWMBFGLXSA-N 2 0 239.407 1.495 20 0 BDADRP COc1cccc(C[C@@H](C)[NH2+][C@H]2CCCNC2)c1 ZINC001246120965 987468772 /nfs/dbraw/zinc/46/87/72/987468772.db2.gz SNVDXPNFGCHHNR-OCCSQVGLSA-N 2 0 248.370 1.968 20 0 BDADRP C[C@@H]1CC(NC[C@H]2C[NH2+]CC[C@H]2C)C[C@@H](C)[NH2+]1 ZINC001246120651 987469315 /nfs/dbraw/zinc/46/93/15/987469315.db2.gz NBBYLIVMZKRPGO-FDYHWXHSSA-N 2 0 239.407 1.351 20 0 BDADRP C(C1CC1)[NH+]1CCC(N[C@@H]2C[NH2+]CC23CC3)CC1 ZINC001246127159 987473198 /nfs/dbraw/zinc/47/31/98/987473198.db2.gz APKKBTXCWIRGSY-CQSZACIVSA-N 2 0 249.402 1.202 20 0 BDADRP CC1([NH2+]C2CCC3(CC[NH2+]CC3)CC2)CNC1 ZINC001246130181 987475398 /nfs/dbraw/zinc/47/53/98/987475398.db2.gz TXNIPYKKWIFMLT-UHFFFAOYSA-N 2 0 237.391 1.250 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)CC[NH2+]1 ZINC001246133056 987484386 /nfs/dbraw/zinc/48/43/86/987484386.db2.gz NPWGDBBOQXXEQB-POQQGIQPSA-N 2 0 237.391 1.105 20 0 BDADRP C[C@H]1CC[C@@H](N[C@@]23CCC[C@@H]2[NH2+]CC3)C[NH2+]1 ZINC001246135161 987486692 /nfs/dbraw/zinc/48/66/92/987486692.db2.gz PWGNHGXMROXHAO-QNWHQSFQSA-N 2 0 223.364 1.001 20 0 BDADRP CC(C)[NH+]1CCC(N[C@@H]2C[NH2+]CC23CC3)CC1 ZINC001246134217 987490659 /nfs/dbraw/zinc/49/06/59/987490659.db2.gz QEMPFRLESVCXGO-CYBMUJFWSA-N 2 0 237.391 1.201 20 0 BDADRP CCC1CCC([NH2+][C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)CC1 ZINC001246137915 987497102 /nfs/dbraw/zinc/49/71/02/987497102.db2.gz KBLYHAKZTANLMG-YTPFDHIKSA-N 2 0 238.375 1.532 20 0 BDADRP C1C[C@H]2CC(N[C@@H]3CCC[C@@H]4C[NH2+]C[C@@H]43)C[C@@H]1[NH2+]2 ZINC001246143775 987500518 /nfs/dbraw/zinc/50/05/18/987500518.db2.gz HDHFZOHCPZWTMV-CXRDHPDISA-N 2 0 249.402 1.247 20 0 BDADRP C[C@H]1CC[C@H]([NH2+]CCCCCC[NH3+])CN1 ZINC001246165244 987519800 /nfs/dbraw/zinc/51/98/00/987519800.db2.gz QDHGUJCAMSOEOB-RYUDHWBXSA-N 2 0 213.369 1.236 20 0 BDADRP C[C@H]1CC[C@H](Nc2ccc(CC[NH3+])cc2)C[NH2+]1 ZINC001246160296 987519993 /nfs/dbraw/zinc/51/99/93/987519993.db2.gz FRYZIKKRNPHMHA-FZMZJTMJSA-N 2 0 233.359 1.740 20 0 BDADRP C[C@@H]1C[C@@H](Nc2ccc(CC[NH3+])cc2)CC[NH2+]1 ZINC001246160242 987524491 /nfs/dbraw/zinc/52/44/91/987524491.db2.gz DKLCULVKCBZYLV-RISCZKNCSA-N 2 0 233.359 1.740 20 0 BDADRP CN(C)c1ccc(CC[NH2+]C2CC[NH2+]CC2)cc1 ZINC001246172744 987539010 /nfs/dbraw/zinc/53/90/10/987539010.db2.gz CMEAGRXTRIHTMY-UHFFFAOYSA-N 2 0 247.386 1.637 20 0 BDADRP Cc1ncn([C@H]2CC[C@@H](C)[NH2+]C2)c1CC[NH3+] ZINC001246175758 987543519 /nfs/dbraw/zinc/54/35/19/987543519.db2.gz AXSMISAHVWUBHH-KOLCDFICSA-N 2 0 222.336 1.006 20 0 BDADRP Cc1ncn([C@H]2CC[NH2+][C@H](C)C2)c1CC[NH3+] ZINC001246179251 987548921 /nfs/dbraw/zinc/54/89/21/987548921.db2.gz OXOWNSTZGGQUEE-KOLCDFICSA-N 2 0 222.336 1.006 20 0 BDADRP [NH2+]=C(N[C@@H]1CCC[NH2+]C1)c1ccc(Cl)nc1 ZINC001246177649 987549008 /nfs/dbraw/zinc/54/90/08/987549008.db2.gz VGBOKBVCGCMANT-SECBINFHSA-N 2 0 238.722 1.402 20 0 BDADRP C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@H]1CCC[NH2+]1 ZINC001246187503 987567734 /nfs/dbraw/zinc/56/77/34/987567734.db2.gz OYDVUXOPGHAXGA-XQHKEYJVSA-N 2 0 223.364 1.001 20 0 BDADRP C(N[C@H]1CC[NH2+]C2(CCC2)C1)[C@H]1CCC[NH2+]1 ZINC001246186834 987568108 /nfs/dbraw/zinc/56/81/08/987568108.db2.gz HZYNXLZFONCECU-NWDGAFQWSA-N 2 0 223.364 1.003 20 0 BDADRP O=C1C[C@H]2CC([NH2+]C[C@H]3CCC[NH2+]3)C[C@@H]2C1 ZINC001246188089 987573694 /nfs/dbraw/zinc/57/36/94/987573694.db2.gz UNKDANFGWTZPIQ-GMTAPVOTSA-N 2 0 222.332 1.086 20 0 BDADRP CC(C)[NH+]1CCC(C[NH2+][C@@H]2CCCNC2)CC1 ZINC001246193174 987579920 /nfs/dbraw/zinc/57/99/20/987579920.db2.gz UTEQYADZDGKPGA-CQSZACIVSA-N 2 0 239.407 1.448 20 0 BDADRP CCCC[NH+](CCCC)CCN[C@H]1CC[NH2+]C1 ZINC001246193743 987584132 /nfs/dbraw/zinc/58/41/32/987584132.db2.gz PJDDCJIXJFNHOJ-AWEZNQCLSA-N 2 0 241.423 1.840 20 0 BDADRP COC(=O)CCCCC[NH2+]C1CC[NH2+]CC1 ZINC001246198122 987590359 /nfs/dbraw/zinc/59/03/59/987590359.db2.gz CTUXALWEYGGXGX-UHFFFAOYSA-N 2 0 228.336 1.061 20 0 BDADRP C[C@@H]1CC[C@@H](n2cc3cc(C[NH3+])ccc3n2)C[NH2+]1 ZINC001246199698 987596975 /nfs/dbraw/zinc/59/69/75/987596975.db2.gz XJRIQYDACDHYHF-ZWNOBZJWSA-N 2 0 244.342 1.808 20 0 BDADRP COC(=O)CC[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC001246204255 987598685 /nfs/dbraw/zinc/59/86/85/987598685.db2.gz HLJFMKDOERWAOC-HBNTYKKESA-N 2 0 228.336 1.188 20 0 BDADRP [NH3+][C@H]1CC[C@@H](CC[NH2+]C2CC[NH2+]CC2)CC1 ZINC001246202476 987599307 /nfs/dbraw/zinc/59/93/07/987599307.db2.gz OXRXOGUQLKSJNY-TXEJJXNPSA-N 3 0 225.380 1.236 20 0 BDADRP CCOCC[C@@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC001246204333 987600133 /nfs/dbraw/zinc/60/01/33/987600133.db2.gz FJEUOHHXVKWKTB-IJLUTSLNSA-N 2 0 214.353 1.661 20 0 BDADRP C[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CN1 ZINC001246213103 987610096 /nfs/dbraw/zinc/61/00/96/987610096.db2.gz YNEXSQLLVGUJCN-ZDEQEGDKSA-N 2 0 225.380 1.234 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@H](F)C2)CC[NH2+]1 ZINC001246214539 987611161 /nfs/dbraw/zinc/61/11/61/987611161.db2.gz IYRNZLDJNGYRBY-DBIOUOCHSA-N 2 0 200.301 1.465 20 0 BDADRP O=C1C[C@H]2CC([NH2+]C[C@H]3CCC[NH2+]C3)C[C@@H]2C1 ZINC001246216551 987613672 /nfs/dbraw/zinc/61/36/72/987613672.db2.gz NCNNBMCEFZVGBI-QJPTWQEYSA-N 2 0 236.359 1.333 20 0 BDADRP C[C@H]1CC[C@H](NC[C@H]2CCC[N@H+](C)C2)C[NH2+]1 ZINC001246222571 987620147 /nfs/dbraw/zinc/62/01/47/987620147.db2.gz IBQLZKHZFJXZLF-XQQFMLRXSA-N 2 0 225.380 1.058 20 0 BDADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246227145 987622133 /nfs/dbraw/zinc/62/21/33/987622133.db2.gz UEYRLZAHCOTNPB-VEDUHTKKSA-N 3 0 237.391 1.377 20 0 BDADRP C(C[C@H]1CCC[NH2+]C1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246229486 987626205 /nfs/dbraw/zinc/62/62/05/987626205.db2.gz JVVNRDNNHSNANO-OLZOCXBDSA-N 2 0 225.380 1.108 20 0 BDADRP C(C[C@@H]1CCC[NH2+]C1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246229491 987627358 /nfs/dbraw/zinc/62/73/58/987627358.db2.gz JVVNRDNNHSNANO-QWHCGFSZSA-N 2 0 225.380 1.108 20 0 BDADRP CCOC(CC[NH2+][C@@H]1CC[NH2+][C@@H](C)C1)OCC ZINC001246234896 987631225 /nfs/dbraw/zinc/63/12/25/987631225.db2.gz WKPVPCANQPUYTO-NWDGAFQWSA-N 2 0 244.379 1.506 20 0 BDADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC1CC[NH2+]CC1 ZINC001246233765 987633064 /nfs/dbraw/zinc/63/30/64/987633064.db2.gz DXOIEEGWSROZDO-STQMWFEESA-N 2 0 225.380 1.201 20 0 BDADRP C[C@H]1C[C@H](n2ncc3cccc(C[NH3+])c32)CC[NH2+]1 ZINC001246237085 987634926 /nfs/dbraw/zinc/63/49/26/987634926.db2.gz AIZXBTBRSSGCOM-GXFFZTMASA-N 2 0 244.342 1.808 20 0 BDADRP CCCC[C@H]1C[C@H](NC2(CC)C[NH2+]C2)CC[NH2+]1 ZINC001246236191 987635033 /nfs/dbraw/zinc/63/50/33/987635033.db2.gz MXTRVONTAISALL-QWHCGFSZSA-N 2 0 239.407 1.639 20 0 BDADRP C[C@@H]1C[C@H](n2ncc3cccc(C[NH3+])c32)CC[NH2+]1 ZINC001246237089 987635989 /nfs/dbraw/zinc/63/59/89/987635989.db2.gz AIZXBTBRSSGCOM-ZWNOBZJWSA-N 2 0 244.342 1.808 20 0 BDADRP C[C@@H]([NH3+])c1ccn(C2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC001246249069 987648450 /nfs/dbraw/zinc/64/84/50/987648450.db2.gz NRECFEJUIUQJGC-NFLHVTIKSA-N 2 0 220.320 1.358 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCOc2ccccn2)CC[NH2+]1 ZINC001246257979 987655602 /nfs/dbraw/zinc/65/56/02/987655602.db2.gz ZMOIXBJGRXRDBF-NEPJUHHUSA-N 2 0 235.331 1.191 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCc2cncs2)CC[NH2+]1 ZINC001246270829 987657806 /nfs/dbraw/zinc/65/78/06/987657806.db2.gz NHEHOJIJTUHLHI-VHSXEESVSA-N 2 0 225.361 1.416 20 0 BDADRP CCOC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246263034 987659230 /nfs/dbraw/zinc/65/92/30/987659230.db2.gz FGXPFHKOKMPBQR-KKOKHZNYSA-N 2 0 240.347 1.058 20 0 BDADRP C[NH2+]CC[C@H](C)N[C@@H](C[NH3+])Cc1ccccc1 ZINC001246267162 987662398 /nfs/dbraw/zinc/66/23/98/987662398.db2.gz MDRDAJDGLVESNC-GXTWGEPZSA-N 2 0 235.375 1.144 20 0 BDADRP CC[NH2+]CCN[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246272788 987666740 /nfs/dbraw/zinc/66/67/40/987666740.db2.gz NRIHSPUVKPFJAK-ZDUSSCGKSA-N 2 0 239.407 1.640 20 0 BDADRP CCC[NH2+]CC[NH2+][C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246269829 987667327 /nfs/dbraw/zinc/66/73/27/987667327.db2.gz LLJFTNVBBTWYOM-UONOGXRCSA-N 3 0 239.407 1.498 20 0 BDADRP CC(C)[C@H]1C[C@@H](NC2(C[NH3+])CCCC2)CC[NH2+]1 ZINC001246280674 987676844 /nfs/dbraw/zinc/67/68/44/987676844.db2.gz VEDLCPAMDIDCIG-QWHCGFSZSA-N 2 0 239.407 1.624 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCCC(C)(C)O)CC[NH2+]1 ZINC001246299088 987692769 /nfs/dbraw/zinc/69/27/69/987692769.db2.gz FCBQAJQZLDWGSW-WDEREUQCSA-N 2 0 214.353 1.268 20 0 BDADRP C[C@@H]1C[C@H](NC[C@@H]([NH3+])Cc2ccccc2)CC[NH2+]1 ZINC001246298716 987693808 /nfs/dbraw/zinc/69/38/08/987693808.db2.gz DLDIAROUXAHFNV-VHDGCEQUSA-N 2 0 247.386 1.287 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CCCCCCC[NH3+])CN1 ZINC001246303779 987700387 /nfs/dbraw/zinc/70/03/87/987700387.db2.gz AOQGWRNFWLYSFI-OLZOCXBDSA-N 2 0 227.396 1.626 20 0 BDADRP CC[C@@H]1C[C@@H](NCC[C@@H](C)[NH3+])C[C@H](CC)[NH2+]1 ZINC001246306654 987702935 /nfs/dbraw/zinc/70/29/35/987702935.db2.gz RHFBROUPAIWLTA-FVCCEPFGSA-N 2 0 227.396 1.623 20 0 BDADRP CC[C@H]([NH3+])CCN[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246305465 987703320 /nfs/dbraw/zinc/70/33/20/987703320.db2.gz HTWFBQDNZXUBAW-YNEHKIRRSA-N 2 0 241.423 1.870 20 0 BDADRP CC[C@H]([NH3+])CCN[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246305462 987703384 /nfs/dbraw/zinc/70/33/84/987703384.db2.gz HTWFBQDNZXUBAW-AVGNSLFASA-N 2 0 241.423 1.870 20 0 BDADRP CCCC[C@H]1C[C@H](N[C@H]2CCC[C@H]2[NH3+])CC[NH2+]1 ZINC001246305280 987703637 /nfs/dbraw/zinc/70/36/37/987703637.db2.gz MRIXLSDMSSVFSG-DGAVXFQQSA-N 2 0 239.407 1.767 20 0 BDADRP CC(C)(C)[C@H]1C[C@@H](N[C@H]2CCC[C@@H]2[NH3+])CC[NH2+]1 ZINC001246309986 987708444 /nfs/dbraw/zinc/70/84/44/987708444.db2.gz KRVKLIAYYRVWOC-ZDEQEGDKSA-N 2 0 239.407 1.623 20 0 BDADRP CCCC[C@@H]1C[C@@H](N[C@H]2CCC[C@@H]2[NH3+])CC[NH2+]1 ZINC001246310144 987712559 /nfs/dbraw/zinc/71/25/59/987712559.db2.gz MRIXLSDMSSVFSG-RFGFWPKPSA-N 2 0 239.407 1.767 20 0 BDADRP CC[C@@H]([NH3+])CNC1CC[NH+](CC2CC2)CC1 ZINC001246312075 987713371 /nfs/dbraw/zinc/71/33/71/987713371.db2.gz FMQQVDDJSXUIEI-GFCCVEGCSA-N 2 0 225.380 1.188 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H](C)Cc1ccncc1 ZINC001246312135 987715518 /nfs/dbraw/zinc/71/55/18/987715518.db2.gz GCQYYGVXCWHUAM-JQWIXIFHSA-N 2 0 207.321 1.340 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@H](C)Cc1ccccn1 ZINC001246312727 987716095 /nfs/dbraw/zinc/71/60/95/987716095.db2.gz HIZCFZFGURWTLU-MNOVXSKESA-N 2 0 207.321 1.340 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246320609 987727646 /nfs/dbraw/zinc/72/76/46/987727646.db2.gz YZLCIGJFKLXKAN-VXGBXAGGSA-N 3 0 225.380 1.236 20 0 BDADRP C[C@@H]1CC[C@@H](NCc2ccccc2C[NH3+])C[NH2+]1 ZINC001246322923 987728459 /nfs/dbraw/zinc/72/84/59/987728459.db2.gz ICGDHUUNKIOAKD-BXUZGUMPSA-N 2 0 233.359 1.375 20 0 BDADRP C[C@H]1CC[C@H](Nc2cccnc2C[NH3+])C[NH2+]1 ZINC001246325751 987732141 /nfs/dbraw/zinc/73/21/41/987732141.db2.gz JILIYZBNOQZPNC-UWVGGRQHSA-N 2 0 220.320 1.093 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C2CCC(CC[NH3+])CC2)CC[NH2+]1 ZINC001246332580 987737254 /nfs/dbraw/zinc/73/72/54/987737254.db2.gz FRJQVWFFDDOZLU-ABXWRUBCSA-N 3 0 239.407 1.624 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C2CCC(CC[NH3+])CC2)CC[NH2+]1 ZINC001246332581 987739454 /nfs/dbraw/zinc/73/94/54/987739454.db2.gz FRJQVWFFDDOZLU-BLYZHGLHSA-N 3 0 239.407 1.624 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C2CCC(CCO)CC2)CC[NH2+]1 ZINC001246331402 987740029 /nfs/dbraw/zinc/74/00/29/987740029.db2.gz BGIZMALTCRKZCU-GFJIZPEISA-N 2 0 240.391 1.658 20 0 BDADRP C1C[NH2+]C[C@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC001246333916 987741132 /nfs/dbraw/zinc/74/11/32/987741132.db2.gz RSNPPPVWIQCOTA-XQHKEYJVSA-N 2 0 223.364 1.001 20 0 BDADRP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246335608 987745526 /nfs/dbraw/zinc/74/55/26/987745526.db2.gz ZXTLRKBYARBBDH-QWHCGFSZSA-N 3 0 239.407 1.482 20 0 BDADRP C[C@H]1CC[C@H](NC(C)(C)C(C)(C)[NH3+])C[NH2+]1 ZINC001246336687 987745602 /nfs/dbraw/zinc/74/56/02/987745602.db2.gz PYNZOFQQNRKRIO-UWVGGRQHSA-N 2 0 213.369 1.232 20 0 BDADRP C[C@H]1CC[C@@H](NC(C)(C)C(C)(C)[NH3+])C[NH2+]1 ZINC001246336689 987746986 /nfs/dbraw/zinc/74/69/86/987746986.db2.gz PYNZOFQQNRKRIO-VHSXEESVSA-N 2 0 213.369 1.232 20 0 BDADRP [NH3+][C@@]12CC[C@@]([NH2+][C@H]3CCC4(C[NH2+]C4)C3)(C1)CCC2 ZINC001246339997 987750424 /nfs/dbraw/zinc/75/04/24/987750424.db2.gz JSHZAMGCRKXMFO-AEGPPILISA-N 3 0 249.402 1.522 20 0 BDADRP C[NH2+]CC[C@@H](C)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001246342158 987753588 /nfs/dbraw/zinc/75/35/88/987753588.db2.gz RITSRJXXHHAAOL-UPJWGTAASA-N 2 0 225.380 1.378 20 0 BDADRP Nc1cccc(CCC[NH2+][C@@H]2CCCNC2)c1 ZINC001246348241 987754899 /nfs/dbraw/zinc/75/48/99/987754899.db2.gz ISPCRUVTSCFGII-CQSZACIVSA-N 2 0 233.359 1.543 20 0 BDADRP CC(C)[C@@H]1C[C@H](N[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246348787 987756313 /nfs/dbraw/zinc/75/63/13/987756313.db2.gz LCCHRGOYZWIYTR-UPJWGTAASA-N 2 0 225.380 1.105 20 0 BDADRP CC1(C)CC[C@@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246345914 987757618 /nfs/dbraw/zinc/75/76/18/987757618.db2.gz BMNVDELZFXWCSU-VXGBXAGGSA-N 2 0 237.391 1.249 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]Cc2cccc(CCO)c2)CC[NH2+]1 ZINC001246354275 987760354 /nfs/dbraw/zinc/76/03/54/987760354.db2.gz DGLDBGBQGBNFEI-WFASDCNBSA-N 2 0 248.370 1.452 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(CCO)c2)CC[NH2+]1 ZINC001246354249 987762030 /nfs/dbraw/zinc/76/20/30/987762030.db2.gz DGLDBGBQGBNFEI-DOMZBBRYSA-N 2 0 248.370 1.452 20 0 BDADRP C[C@H]1CC[C@@H](NCC[C@H]2CCC[N@@H+]2C)C[NH2+]1 ZINC001246357816 987763016 /nfs/dbraw/zinc/76/30/16/987763016.db2.gz ARYLRDCYZFVYER-YNEHKIRRSA-N 2 0 225.380 1.201 20 0 BDADRP CCOC(=O)[C@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246357076 987763051 /nfs/dbraw/zinc/76/30/51/987763051.db2.gz VOFZNYSADJTJOJ-YIBTVLSRSA-N 2 0 240.347 1.058 20 0 BDADRP COC(=O)CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246356710 987763810 /nfs/dbraw/zinc/76/38/10/987763810.db2.gz PUIWBEAAJQHHFY-FOSCPWQOSA-N 2 0 240.347 1.202 20 0 BDADRP CC(C)OC(=O)CC[C@@H](C)N[C@@H]1CCC[NH2+]C1 ZINC001246357746 987763849 /nfs/dbraw/zinc/76/38/49/987763849.db2.gz LJXACALGKQBANK-VXGBXAGGSA-N 2 0 242.363 1.448 20 0 BDADRP C[C@H]1C[C@@H](N[C@H]2CC[N@H+](CC3CC3)C2)CC[NH2+]1 ZINC001246359829 987767363 /nfs/dbraw/zinc/76/73/63/987767363.db2.gz CZFSFNZIVRVDTO-UBHSHLNASA-N 2 0 237.391 1.201 20 0 BDADRP C[C@H]1CC[C@@H](Nc2cccc(CC[NH3+])c2)C[NH2+]1 ZINC001246367159 987770120 /nfs/dbraw/zinc/77/01/20/987770120.db2.gz RZSSGFCSLSDUIT-SMDDNHRTSA-N 2 0 233.359 1.740 20 0 BDADRP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H]([NH+](C)C)CC2)CC[NH2+]1 ZINC001246366436 987771818 /nfs/dbraw/zinc/77/18/18/987771818.db2.gz IXQHHNKHHIOLSG-XUXIUFHCSA-N 3 0 239.407 1.589 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C(C)(C)C(C)(C)O)CC[NH2+]1 ZINC001246391289 987781360 /nfs/dbraw/zinc/78/13/60/987781360.db2.gz SAMQUXQPLPPWJO-NXEZZACHSA-N 2 0 214.353 1.266 20 0 BDADRP CC(C)(Cc1ccccn1)[NH2+]C1CC[NH2+]CC1 ZINC001246438758 987799381 /nfs/dbraw/zinc/79/93/81/987799381.db2.gz ZUOLYDBLBSYOKB-UHFFFAOYSA-N 2 0 233.359 1.744 20 0 BDADRP COc1ccccc1C[C@@H](C)[NH2+][C@H]1CC12C[NH2+]C2 ZINC001246446860 987806287 /nfs/dbraw/zinc/80/62/87/987806287.db2.gz ULYKQLFWYIWGSK-RISCZKNCSA-N 2 0 246.354 1.578 20 0 BDADRP COC(=O)CCCC[C@@H](C)[NH2+][C@H]1CC12C[NH2+]C2 ZINC001246446788 987807241 /nfs/dbraw/zinc/80/72/41/987807241.db2.gz UCFOXRBAJSGMLY-MNOVXSKESA-N 2 0 240.347 1.060 20 0 BDADRP CC[C@@H]1CC[C@@H]([NH2+]CCCNCCC[NH3+])C1 ZINC001246453903 987808420 /nfs/dbraw/zinc/80/84/20/987808420.db2.gz RAIUOWJQYSMBTL-CHWSQXEVSA-N 2 0 227.396 1.483 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCC[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC001246452874 987808680 /nfs/dbraw/zinc/80/86/80/987808680.db2.gz YBUIGDWUQATLNL-CRWXNKLISA-N 3 0 239.407 1.482 20 0 BDADRP CCC[C@@H](C)[NH2+]CCCNCCC[NH3+] ZINC001246453448 987810588 /nfs/dbraw/zinc/81/05/88/987810588.db2.gz ONCQONWFUPEDLW-LLVKDONJSA-N 2 0 201.358 1.093 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCCC[NH2+]C2)C1 ZINC001246450426 987810783 /nfs/dbraw/zinc/81/07/83/987810783.db2.gz QWDRIOMWAWBWCP-RDBSUJKOSA-N 3 0 239.407 1.483 20 0 BDADRP C[C@@H]1CSC[C@@H]1[NH2+]C[C@H]1C[NH+]2CCC1CC2 ZINC001474735480 987812339 /nfs/dbraw/zinc/81/23/39/987812339.db2.gz QKQHFKBPOISFOQ-WXHSDQCUSA-N 2 0 240.416 1.669 20 0 BDADRP CC[C@@]1(CN[C@H](C)CC[NH2+]C)CCC[NH2+]1 ZINC001246456909 987813197 /nfs/dbraw/zinc/81/31/97/987813197.db2.gz PRIAJCRFYJPLSE-NEPJUHHUSA-N 2 0 213.369 1.106 20 0 BDADRP C[NH2+]CC[C@H](C)[NH2+]C[C@H]1CCC[C@@H](C[NH3+])C1 ZINC001246457696 987815557 /nfs/dbraw/zinc/81/55/57/987815557.db2.gz QHMKWLAJZKELPN-XQQFMLRXSA-N 3 0 227.396 1.339 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H]1C[C@@H]2COC[C@H]12 ZINC001474759640 987820055 /nfs/dbraw/zinc/82/00/55/987820055.db2.gz RYCIKIKYRNLBCB-RFQIPJPRSA-N 2 0 240.391 1.731 20 0 BDADRP C[NH2+][C@H]1C[C@H]([NH2+][C@@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246460503 987820348 /nfs/dbraw/zinc/82/03/48/987820348.db2.gz JHFGTWPZAPNJEN-JHJVBQTASA-N 3 0 237.391 1.249 20 0 BDADRP CCCC[C@@H]1C[C@H](N[C@H]2C[C@H]([NH2+]C)C2)CC[NH2+]1 ZINC001246464265 987822607 /nfs/dbraw/zinc/82/26/07/987822607.db2.gz YXKLNAGWAAYGQZ-AAVRWANBSA-N 3 0 239.407 1.637 20 0 BDADRP C[C@H]1CC[C@H]([NH2+]C[C@H]2CCCC[C@H]2O)CN1 ZINC001246463308 987823056 /nfs/dbraw/zinc/82/30/56/987823056.db2.gz FXMIMXPHYXFWCZ-QNWHQSFQSA-N 2 0 226.364 1.268 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N[C@H]2C[C@@](C)([NH3+])C2)CC[NH2+]1 ZINC001246466912 987826508 /nfs/dbraw/zinc/82/65/08/987826508.db2.gz XOIPOEPTPPEFOJ-ZDEQEGDKSA-N 2 0 225.380 1.232 20 0 BDADRP Cn1ncc2c1cccc2C[NH2+]C1CC[NH2+]CC1 ZINC001246471120 987828257 /nfs/dbraw/zinc/82/82/57/987828257.db2.gz QYRHNXKJIAJNHQ-UHFFFAOYSA-N 2 0 244.342 1.415 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)CCO1 ZINC001246474720 987832724 /nfs/dbraw/zinc/83/27/24/987832724.db2.gz AOORXXCUADIPSD-BJDJZHNGSA-N 2 0 230.327 1.091 20 0 BDADRP [NH3+][C@@H]1CCCC[C@@H]1[NH2+]C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001246477346 987835543 /nfs/dbraw/zinc/83/55/43/987835543.db2.gz HWWRSIXVLIEMCR-MHWZDGSBSA-N 2 0 236.359 1.604 20 0 BDADRP [NH3+][C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001246477336 987835870 /nfs/dbraw/zinc/83/58/70/987835870.db2.gz HWWRSIXVLIEMCR-GJKBLCTNSA-N 2 0 236.359 1.604 20 0 BDADRP CC1(C)[C@@H]2C[C@@H]([NH2+]C[C@@H]3CC[NH2+]C[C@@H]3F)C[C@@H]21 ZINC001246478208 987835909 /nfs/dbraw/zinc/83/59/09/987835909.db2.gz UUTAITFEGXGNJG-NWBUJAPZSA-N 2 0 240.366 1.958 20 0 BDADRP CCOC(=O)CC1([NH2+][C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246493047 987847715 /nfs/dbraw/zinc/84/77/15/987847715.db2.gz XLWAWDZHLSUKOX-WDEREUQCSA-N 2 0 240.347 1.202 20 0 BDADRP CC(C)[C@H]1C[C@@H](N[C@@H]2C[NH2+]CC[C@H]2F)CC[NH2+]1 ZINC001246496671 987849430 /nfs/dbraw/zinc/84/94/30/987849430.db2.gz JZJRQLMLBRJPPO-UMSGYPCISA-N 2 0 243.370 1.053 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N[C@@H]2C[NH2+]CC[C@H]2F)CC[NH2+]1 ZINC001246496669 987850619 /nfs/dbraw/zinc/85/06/19/987850619.db2.gz JZJRQLMLBRJPPO-QNWHQSFQSA-N 2 0 243.370 1.053 20 0 BDADRP CC(C)C[C@@H](C[NH3+])N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246501690 987855303 /nfs/dbraw/zinc/85/53/03/987855303.db2.gz BQMYMMXNOAOHES-UTUOFQBUSA-N 2 0 213.369 1.090 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCOc2ccncc2)CC[NH2+]1 ZINC001246502872 987856038 /nfs/dbraw/zinc/85/60/38/987856038.db2.gz GMOKJRHPQDQONO-VXGBXAGGSA-N 2 0 235.331 1.191 20 0 BDADRP CC(C)N([C@H]1CC[NH2+][C@H](C)C1)C(C)(C)C[NH3+] ZINC001246506292 987858321 /nfs/dbraw/zinc/85/83/21/987858321.db2.gz ZODASEZHOGCGHX-NEPJUHHUSA-N 2 0 227.396 1.575 20 0 BDADRP CNc1cccc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC001246505528 987859152 /nfs/dbraw/zinc/85/91/52/987859152.db2.gz LLSKGSXJPZIEHS-FZMZJTMJSA-N 2 0 233.359 1.958 20 0 BDADRP C[NH+](C)CC1CCC([NH2+][C@H]2CCCNC2)CC1 ZINC001246513421 987862551 /nfs/dbraw/zinc/86/25/51/987862551.db2.gz WEMSFTNVCNOJAV-RUXDESIVSA-N 2 0 239.407 1.448 20 0 BDADRP C[NH2+]C1CCC([NH2+][C@H](CN)CC(C)C)CC1 ZINC001246507535 987862736 /nfs/dbraw/zinc/86/27/36/987862736.db2.gz YKMZAHPGMIGBLB-BPCQOVAHSA-N 2 0 227.396 1.480 20 0 BDADRP C[NH2+]CCN(C)C1CCC2(CC[NH2+]C2)CC1 ZINC001246521627 987868828 /nfs/dbraw/zinc/86/88/28/987868828.db2.gz CWNDOGXTAKRWRE-UHFFFAOYSA-N 2 0 225.380 1.060 20 0 BDADRP COC(=O)[C@H]1CCC[N@@H+]([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246526130 987878549 /nfs/dbraw/zinc/87/85/49/987878549.db2.gz MEXMFPNYMREQLD-WOPDTQHZSA-N 2 0 240.347 1.012 20 0 BDADRP CC[C@H]1CC(N2C[C@@H](F)[C@@H]([NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246527244 987881248 /nfs/dbraw/zinc/88/12/48/987881248.db2.gz SYSWMJVBUCOKQH-DJIHRAIXSA-N 2 0 243.370 1.277 20 0 BDADRP C[C@]1([NH3+])CCN([C@@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC001246527483 987882492 /nfs/dbraw/zinc/88/24/92/987882492.db2.gz DOVVHOMPMKWHBA-NEPJUHHUSA-N 2 0 223.364 1.084 20 0 BDADRP CC(C)(C)[C@H]1C[C@@H](N2C[C@H]([NH3+])[C@@H](F)C2)CC[NH2+]1 ZINC001246532836 987891916 /nfs/dbraw/zinc/89/19/16/987891916.db2.gz KQFJLYIMQIDVML-FIQHERPVSA-N 2 0 243.370 1.134 20 0 BDADRP C[C@H]1CN([C@H]2CC[NH2+]C3(CCC3)C2)C[C@H]1C[NH3+] ZINC001246538311 987899815 /nfs/dbraw/zinc/89/98/15/987899815.db2.gz AXAUTDSLKZZIGE-XQQFMLRXSA-N 2 0 237.391 1.188 20 0 BDADRP C[C@H]1CC[C@@H](C[NH3+])N1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246540044 987906180 /nfs/dbraw/zinc/90/61/80/987906180.db2.gz UNJBTMABSCOMJO-GCFWVWJCSA-N 2 0 223.364 1.081 20 0 BDADRP C[C@@H]1CCC[C@@H]([N@@H+]2CCC[C@](O)(C[NH3+])CC2)C1 ZINC001246541978 987909130 /nfs/dbraw/zinc/90/91/30/987909130.db2.gz HZPQOBKWTRFACI-MGPQQGTHSA-N 2 0 240.391 1.741 20 0 BDADRP CCOCC[C@@H](C)[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246541581 987912521 /nfs/dbraw/zinc/91/25/21/987912521.db2.gz MFGXFHMFEOQJJX-VXGBXAGGSA-N 2 0 214.353 1.615 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N1CCC[C@@H]([NH3+])CC1 ZINC001246544913 987916737 /nfs/dbraw/zinc/91/67/37/987916737.db2.gz HXQMPZPGPJGWNT-ZIAGYGMSSA-N 2 0 241.423 1.920 20 0 BDADRP COC(=O)CC[C@@H](C)[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001246544926 987917061 /nfs/dbraw/zinc/91/70/61/987917061.db2.gz IGSXLCNXVBQSCO-MNOVXSKESA-N 2 0 228.336 1.141 20 0 BDADRP CC(C)OCC[C@H](C)[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246544187 987917916 /nfs/dbraw/zinc/91/79/16/987917916.db2.gz WKBLXGRTWHHFRQ-RWMBFGLXSA-N 2 0 228.380 1.717 20 0 BDADRP [NH3+][C@@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246544967 987918544 /nfs/dbraw/zinc/91/85/44/987918544.db2.gz IOQGGHWYFDEPNE-FKJOKYEKSA-N 2 0 223.364 1.083 20 0 BDADRP COC(=O)CC[C@H](C)[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246544930 987923302 /nfs/dbraw/zinc/92/33/02/987923302.db2.gz IGSXLCNXVBQSCO-WDEREUQCSA-N 2 0 228.336 1.141 20 0 BDADRP C[C@]1([NH3+])CCCN([C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246547940 987932770 /nfs/dbraw/zinc/93/27/70/987932770.db2.gz DKHKXOGJPVOBOT-DGAVXFQQSA-N 2 0 237.391 1.473 20 0 BDADRP CC1(C)C[C@@H](N2CCC[C@@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246549846 987933346 /nfs/dbraw/zinc/93/33/46/987933346.db2.gz IMNQMUKIKQEJOT-GXTWGEPZSA-N 2 0 239.407 1.720 20 0 BDADRP C[C@@H]1C[C@@H](N2CC[C@H](C)[C@H](C[NH3+])C2)C[C@H](C)[NH2+]1 ZINC001246549691 987934789 /nfs/dbraw/zinc/93/47/89/987934789.db2.gz HQHALNSEQRGOFV-QNSTZXKLSA-N 2 0 239.407 1.432 20 0 BDADRP [NH3+]C[C@@]1(F)CCC[N@@H+]([C@H]2CCSC2)CC1 ZINC001246550863 987946551 /nfs/dbraw/zinc/94/65/51/987946551.db2.gz ORTWYJBIEJHBSK-WDEREUQCSA-N 2 0 232.368 1.645 20 0 BDADRP CC1(C)C[C@@H]([N@@H+]2CCC[C@@](C)([NH3+])CC2)CO1 ZINC001246551698 987949732 /nfs/dbraw/zinc/94/97/32/987949732.db2.gz MLQZNXIRPRXCIN-DGCLKSJQSA-N 2 0 226.364 1.757 20 0 BDADRP C[N@@H+]1CCC[C@H](N2CCC[C@](C)([NH3+])CC2)C1 ZINC001246553445 987958540 /nfs/dbraw/zinc/95/85/40/987958540.db2.gz SFTVROFWFAIXRX-STQMWFEESA-N 2 0 225.380 1.284 20 0 BDADRP C[N@@H+]1CCC[C@@H](N2CCC[C@](C)([NH3+])CC2)C1 ZINC001246553443 987962012 /nfs/dbraw/zinc/96/20/12/987962012.db2.gz SFTVROFWFAIXRX-OLZOCXBDSA-N 2 0 225.380 1.284 20 0 BDADRP C[C@H]1C[C@H]([N@@H+]2CCC[C@](C)([NH3+])CC2)CCO1 ZINC001246556052 987965916 /nfs/dbraw/zinc/96/59/16/987965916.db2.gz YHAAQZJQOSPJCF-XQQFMLRXSA-N 2 0 226.364 1.757 20 0 BDADRP [NH3+]C[C@H]1CN([C@H]2CCC[NH2+]CC2)CCC1(F)F ZINC001246556868 987969204 /nfs/dbraw/zinc/96/92/04/987969204.db2.gz GRDPHCIAOMEYAQ-QWRGUYRKSA-N 2 0 247.333 1.044 20 0 BDADRP C[C@@H]1CC[N@@H+]([C@H]2CCSC2)CC[C@H]1C[NH3+] ZINC001246557246 987974921 /nfs/dbraw/zinc/97/49/21/987974921.db2.gz KDGVICAYJWFDRK-WOPDTQHZSA-N 2 0 228.405 1.799 20 0 BDADRP CCCCC[C@@H](CC)[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246557770 987977931 /nfs/dbraw/zinc/97/79/31/987977931.db2.gz HJXHXFVAAJOTLC-JHJVBQTASA-N 2 0 228.380 1.739 20 0 BDADRP CC[C@@H](Cc1ccccc1)[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246559319 987980210 /nfs/dbraw/zinc/98/02/10/987980210.db2.gz OLOFHTLTNFNSPE-RRFJBIMHSA-N 2 0 248.370 1.402 20 0 BDADRP C[C@@H]1C[N@@H+](C2CCC3(COC3)CC2)C[C@H]1[NH3+] ZINC001246560473 987985607 /nfs/dbraw/zinc/98/56/07/987985607.db2.gz HFABBQIKKHTSCX-ZYHUDNBSSA-N 2 0 224.348 1.225 20 0 BDADRP C[C@@H]1C[N@@H+]([C@@H]2CCCOC2)CCC[C@H]1C[NH3+] ZINC001246563050 988003083 /nfs/dbraw/zinc/00/30/83/988003083.db2.gz CAPJDRAFAIYQAM-FRRDWIJNSA-N 2 0 226.364 1.472 20 0 BDADRP C[C@@H]1CCN([C@H]2CCC[NH2+]C2)CC[C@H]1C[NH3+] ZINC001246563472 988009730 /nfs/dbraw/zinc/00/97/30/988009730.db2.gz XDLFYILOEWKHAN-AGIUHOORSA-N 2 0 225.380 1.045 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)CC[NH2+]1 ZINC001246564979 988013739 /nfs/dbraw/zinc/01/37/39/988013739.db2.gz ZDMFORNRHUWJSW-YIYPIFLZSA-N 3 0 239.407 1.434 20 0 BDADRP C[NH2+]C1CCC([N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)CC1 ZINC001246564411 988015594 /nfs/dbraw/zinc/01/55/94/988015594.db2.gz NQFMRBMTKZWOAR-MRFVTOPCSA-N 3 0 239.407 1.576 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]CC[C@H](C)[NH2+]C)C1(C)C ZINC001118122050 988025533 /nfs/dbraw/zinc/02/55/33/988025533.db2.gz NGOZMBUCKLFCHM-SDDRHHMPSA-N 2 0 228.380 1.778 20 0 BDADRP CC[C@@H]1C[C@@H](N2C[C@@H](C)[C@H]([NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246566102 988028010 /nfs/dbraw/zinc/02/80/10/988028010.db2.gz FJCUGNWCTZHELD-RKQHYHRCSA-N 2 0 239.407 1.575 20 0 BDADRP C[C@@]1(CF)CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246572116 988059742 /nfs/dbraw/zinc/05/97/42/988059742.db2.gz DJPNYJFOMQDECP-HNGCFSAESA-N 2 0 226.339 1.951 20 0 BDADRP CC[C@@H]1C[C@@H](N2C[C@H]([NH3+])CC(F)(F)C2)CC[NH2+]1 ZINC001246572047 988060851 /nfs/dbraw/zinc/06/08/51/988060851.db2.gz JTFJEXZWOWAQSJ-MXWKQRLJSA-N 2 0 247.333 1.185 20 0 BDADRP [NH3+]C[C@@]1(F)CCCCN([C@H]2CCCOC2)C1 ZINC001246575779 988082847 /nfs/dbraw/zinc/08/28/47/988082847.db2.gz IYUXOHDWOVFCJT-RYUDHWBXSA-N 2 0 230.327 1.318 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC001118193770 988082907 /nfs/dbraw/zinc/08/29/07/988082907.db2.gz FFJNINSWUIDTFO-GHMZBOCLSA-N 2 0 241.379 1.138 20 0 BDADRP C[C@H]1C[C@@H](N2CCCC[C@](C)(C[NH3+])C2)CC[NH2+]1 ZINC001246578787 988096737 /nfs/dbraw/zinc/09/67/37/988096737.db2.gz CDRDBMXQOIDGNI-MELADBBJSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@H]1C[C@H]([N@@H+]2CCC[C@@](C)(C[NH3+])CC2)CC[NH2+]1 ZINC001246579270 988104447 /nfs/dbraw/zinc/10/44/47/988104447.db2.gz UAQNBBQHRXTQQA-BFHYXJOUSA-N 3 0 239.407 1.578 20 0 BDADRP C[C@@H]1CC[C@H]([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)C[C@H]1C ZINC001246583835 988120936 /nfs/dbraw/zinc/12/09/36/988120936.db2.gz LBKOUFCQXWAAIJ-BNDIWNMDSA-N 2 0 226.364 1.063 20 0 BDADRP C[N@@H+]1CCC[C@H](N2CCCC[C@@](C)(C[NH3+])C2)C1 ZINC001246585649 988135964 /nfs/dbraw/zinc/13/59/64/988135964.db2.gz PNNPOVRMZBZDOJ-KBPBESRZSA-N 2 0 239.407 1.532 20 0 BDADRP C[C@@]1(C[NH3+])CCCCN([C@@H]2CCC[NH2+]C2)C1 ZINC001246584520 988140236 /nfs/dbraw/zinc/14/02/36/988140236.db2.gz NHYHETMDWAXSOX-OLZOCXBDSA-N 2 0 225.380 1.189 20 0 BDADRP CC(C)C[NH2+]CC(=O)Nc1ccc(C[NH3+])cc1 ZINC001118266368 988164792 /nfs/dbraw/zinc/16/47/92/988164792.db2.gz QOIUQFRKGGDRON-UHFFFAOYSA-N 2 0 235.331 1.329 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@](C)(O)[C@H](C)C2)CC[NH2+]1 ZINC001246591681 988180521 /nfs/dbraw/zinc/18/05/21/988180521.db2.gz NNZMVYXBJYZYJS-AAVRWANBSA-N 2 0 240.391 1.610 20 0 BDADRP CC[C@@H]1C[C@@H](N2CCCC[C@H](C[NH3+])C2)CC[NH2+]1 ZINC001246597651 988200971 /nfs/dbraw/zinc/20/09/71/988200971.db2.gz YAHXJDSSEKJRNS-MCIONIFRSA-N 2 0 239.407 1.578 20 0 BDADRP CC[C@@H]1C[C@H]([NH+]2CC(C)(C[NH3+])C2)CCO1 ZINC001246601361 988204230 /nfs/dbraw/zinc/20/42/30/988204230.db2.gz UYGLTKRPHKCWPI-GHMZBOCLSA-N 2 0 212.337 1.225 20 0 BDADRP C[C@@H]1CC[C@H](N2CCC3(CC([NH3+])C3)CC2)C[NH2+]1 ZINC001246600783 988206132 /nfs/dbraw/zinc/20/61/32/988206132.db2.gz IFYIBCURKFGZBX-YPMHNXCESA-N 2 0 237.391 1.330 20 0 BDADRP CC1(C[NH3+])CN(C2CC[NH+](CC3CC3)CC2)C1 ZINC001246600655 988206680 /nfs/dbraw/zinc/20/66/80/988206680.db2.gz UAJBGOXBEVDXTQ-UHFFFAOYSA-N 2 0 237.391 1.141 20 0 BDADRP CCCC[C@H]1C[C@H](N2CCC23C[NH2+]C3)CC[NH2+]1 ZINC001246605437 988213833 /nfs/dbraw/zinc/21/38/33/988213833.db2.gz JMVAFZBWLXECMY-QWHCGFSZSA-N 2 0 237.391 1.345 20 0 BDADRP CC(C)[NH+]1CCC(N2CC(C)(C[NH3+])C2)CC1 ZINC001246602195 988218674 /nfs/dbraw/zinc/21/86/74/988218674.db2.gz WHQXXSJCXPNEPT-UHFFFAOYSA-N 2 0 225.380 1.140 20 0 BDADRP CC1(C)C[C@H](N2CCC[C@@]23CCC[NH2+]C3)CO1 ZINC001246607610 988220441 /nfs/dbraw/zinc/22/04/41/988220441.db2.gz GTYDLKRBCWDGST-GXTWGEPZSA-N 2 0 238.375 1.772 20 0 BDADRP C[C@@H]1CC[C@H](N2CC[C@@]3(C2)CCC[NH2+]C3)C[NH2+]1 ZINC001246609851 988238614 /nfs/dbraw/zinc/23/86/14/988238614.db2.gz OGLFWPDGGJWUJA-RDBSUJKOSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@@H]1CC[C@H](N2CC[C@]3(C2)CCC[NH2+]C3)C[NH2+]1 ZINC001246609848 988239364 /nfs/dbraw/zinc/23/93/64/988239364.db2.gz OGLFWPDGGJWUJA-HZSPNIEDSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@H]1C[C@@H](N2CCC[C@]23CCC[NH2+]C3)CC[NH2+]1 ZINC001246613373 988243717 /nfs/dbraw/zinc/24/37/17/988243717.db2.gz YUMWIAPGVGDONT-IHRRRGAJSA-N 2 0 237.391 1.345 20 0 BDADRP C[C@@H]1C[C@H](N2CCC[C@]3(CCCC[NH2+]3)C2)C[NH2+]1 ZINC001246611647 988244365 /nfs/dbraw/zinc/24/43/65/988244365.db2.gz GUHBFVRRPVYEIQ-HZSPNIEDSA-N 2 0 237.391 1.345 20 0 BDADRP C1CN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@]2(C1)CCC[NH2+]C2 ZINC001246612864 988245763 /nfs/dbraw/zinc/24/57/63/988245763.db2.gz XQPPPEOTPIVFTQ-IXXDHKBRSA-N 2 0 249.402 1.487 20 0 BDADRP C[C@@H]1CC[C@@H](N2CC[C@@]3(C2)CCC[NH2+]C3)C[NH2+]1 ZINC001246609849 988245962 /nfs/dbraw/zinc/24/59/62/988245962.db2.gz OGLFWPDGGJWUJA-MCIONIFRSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@@H]1CC[C@@H](N2CCC[C@@]3(CCC[NH2+]3)C2)C[NH2+]1 ZINC001246616270 988248421 /nfs/dbraw/zinc/24/84/21/988248421.db2.gz GXAZXVBXSGRGFZ-MCIONIFRSA-N 2 0 237.391 1.345 20 0 BDADRP C[C@@H]1C[C@H](N2CCC3(CCC[NH2+]3)CC2)CC[NH2+]1 ZINC001246621167 988265360 /nfs/dbraw/zinc/26/53/60/988265360.db2.gz FAJHCBUXCMHOEG-CHWSQXEVSA-N 2 0 237.391 1.345 20 0 BDADRP C[C@H]1CC([NH+]2CCC(F)(C[NH3+])CC2)C[C@H](C)[NH2+]1 ZINC001246623223 988279780 /nfs/dbraw/zinc/27/97/80/988279780.db2.gz BNOWKHBFQFOIGR-QWRGUYRKSA-N 3 0 243.370 1.278 20 0 BDADRP CC(C)[NH+]1CCC(N2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001246630204 988302031 /nfs/dbraw/zinc/30/20/31/988302031.db2.gz HPJHLWLAYFMXCJ-UONOGXRCSA-N 2 0 237.391 1.295 20 0 BDADRP C[C@H]1C[C@H](N2CC[C@H]3C[NH2+]C[C@H]3CC2)CC[NH2+]1 ZINC001246630826 988304568 /nfs/dbraw/zinc/30/45/68/988304568.db2.gz PJNQXTAWTPSUDG-IGQOVBAYSA-N 2 0 237.391 1.058 20 0 BDADRP CCC[C@@H](C)[NH+]1CCC(F)(C[NH3+])CC1 ZINC001246632131 988312726 /nfs/dbraw/zinc/31/27/26/988312726.db2.gz ZJFGIEOIQLZOOL-SNVBAGLBSA-N 2 0 202.317 1.938 20 0 BDADRP CCC[NH2+]CCCN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001322566856 988331172 /nfs/dbraw/zinc/33/11/72/988331172.db2.gz REIKCPXGZRPOQC-GFCCVEGCSA-N 2 0 243.395 1.175 20 0 BDADRP C1CC1[NH+]1CCC(N2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001246635486 988331471 /nfs/dbraw/zinc/33/14/71/988331471.db2.gz RJXBLRYZWMJLAA-UONOGXRCSA-N 2 0 235.375 1.049 20 0 BDADRP CC(C)[C@H]1C[C@@H](N2CCCC23C[NH2+]C3)CC[NH2+]1 ZINC001246642729 988348450 /nfs/dbraw/zinc/34/84/50/988348450.db2.gz OEAJZBUSBIPPKP-QWHCGFSZSA-N 2 0 237.391 1.201 20 0 BDADRP CC[C@@H](CC(C)C)[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246643119 988355958 /nfs/dbraw/zinc/35/59/58/988355958.db2.gz OBIDBUDVHOYNNP-UONOGXRCSA-N 2 0 239.407 1.448 20 0 BDADRP C1[NH2+]CC12CC[C@H]([N@@H+]1CCCC[C@]13CC[NH2+]C3)C2 ZINC001246646563 988362376 /nfs/dbraw/zinc/36/23/76/988362376.db2.gz GBPIRACEPMWVEB-DZGCQCFKSA-N 3 0 249.402 1.347 20 0 BDADRP CCCC[C@@H]1C[C@@H](N2C[C@@H]3C[C@]3([NH3+])C2)CC[NH2+]1 ZINC001246645394 988366761 /nfs/dbraw/zinc/36/67/61/988366761.db2.gz MOHDRXQFZUTPSV-CRWXNKLISA-N 2 0 237.391 1.330 20 0 BDADRP C1C[C@@]2(C[NH2+]1)CCCCN2[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246650276 988371725 /nfs/dbraw/zinc/37/17/25/988371725.db2.gz SNEMQRUYZDPFSW-LXTVHRRPSA-N 2 0 249.402 1.487 20 0 BDADRP C[NH2+]CC[C@@H](C)N1CCCC[C@@]12CCC[NH2+]C2 ZINC001246654145 988375675 /nfs/dbraw/zinc/37/56/75/988375675.db2.gz UVHYZLXWAAHYHP-KGLIPLIRSA-N 2 0 239.407 1.593 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H]3CCO[C@H]3C2)CC[NH2+]1 ZINC001246667841 988412240 /nfs/dbraw/zinc/41/22/40/988412240.db2.gz VXSNNRSPFFIRAA-NDBYEHHHSA-N 2 0 224.348 1.238 20 0 BDADRP C[C@H]1C[C@H]([N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)CC[NH2+]1 ZINC001246679280 988425530 /nfs/dbraw/zinc/42/55/30/988425530.db2.gz TUGMSVWKWBOUSN-NNYUYHANSA-N 2 0 222.332 1.323 20 0 BDADRP CN(CCC[NH3+])[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246680087 988429207 /nfs/dbraw/zinc/42/92/07/988429207.db2.gz HGGGOMZPWHSBHN-ZDUSSCGKSA-N 2 0 239.407 1.722 20 0 BDADRP CC[C@@H]1C[C@H](N(C)CCC[NH3+])C[C@H](CC)[NH2+]1 ZINC001246683029 988433092 /nfs/dbraw/zinc/43/30/92/988433092.db2.gz XYYJOYJDXYSPRX-ITGUQSILSA-N 2 0 227.396 1.576 20 0 BDADRP CC(C)[C@@H]1CN([C@H]2CCC[NH2+]CC2)CC[NH2+]1 ZINC001246687397 988438945 /nfs/dbraw/zinc/43/89/45/988438945.db2.gz QPBLJFKECSDXOO-STQMWFEESA-N 2 0 225.380 1.058 20 0 BDADRP COC[C@@]12CCC[C@@H]1C[N@@H+]([C@@H]1CCC[NH2+]C1)C2 ZINC001246729532 988447331 /nfs/dbraw/zinc/44/73/31/988447331.db2.gz OTKVUUAPZALSJF-MCIONIFRSA-N 2 0 238.375 1.487 20 0 BDADRP C[NH2+]CC1CCN([C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246781044 988454081 /nfs/dbraw/zinc/45/40/81/988454081.db2.gz MVRXRXMXPVZYHK-DGCLKSJQSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H]1CCCCC[N@@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246768089 988454318 /nfs/dbraw/zinc/45/43/18/988454318.db2.gz FDCJHGHNCCOYAW-CHWSQXEVSA-N 2 0 237.391 1.345 20 0 BDADRP C[C@H]1C[C@@H]([N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CC[NH2+]1 ZINC001246768669 988456087 /nfs/dbraw/zinc/45/60/87/988456087.db2.gz GASNYFMBGSQHJV-UHFZAUJKSA-N 2 0 212.312 1.559 20 0 BDADRP C[NH2+]CC1CC[NH+]([C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246783135 988462951 /nfs/dbraw/zinc/46/29/51/988462951.db2.gz WLPBFYVQPUMGPI-YPMHNXCESA-N 3 0 225.380 1.058 20 0 BDADRP CCN(C1CC[NH+](C)CC1)[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246781064 988463630 /nfs/dbraw/zinc/46/36/30/988463630.db2.gz BFVHEONALIGDEL-JSGCOSHPSA-N 2 0 239.407 1.543 20 0 BDADRP CCN(C1CC[NH2+]CC1)[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246796643 988472374 /nfs/dbraw/zinc/47/23/74/988472374.db2.gz MAJPVOKVPKEWCV-AAEUAGOBSA-N 2 0 225.380 1.201 20 0 BDADRP CCN(CC[NH+]1CCCC1)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246795454 988472693 /nfs/dbraw/zinc/47/26/93/988472693.db2.gz JHAHWQJSMZRDBF-UONOGXRCSA-N 2 0 239.407 1.545 20 0 BDADRP CCN(C1CC[NH2+]CC1)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246798575 988478039 /nfs/dbraw/zinc/47/80/39/988478039.db2.gz VDWMECGFAXONOF-WCQYABFASA-N 2 0 225.380 1.201 20 0 BDADRP CC[NH2+]C1CCN([C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246807051 988489525 /nfs/dbraw/zinc/48/95/25/988489525.db2.gz MTEAKXFWBPGSTP-WCQYABFASA-N 2 0 225.380 1.201 20 0 BDADRP CC[C@H]1C[NH2+]CCN1[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246806597 988492125 /nfs/dbraw/zinc/49/21/25/988492125.db2.gz XQPKYNGCCDFCQF-QWHCGFSZSA-N 2 0 237.391 1.345 20 0 BDADRP C[C@H]1C[C@H]([N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)CC[NH2+]1 ZINC001246808762 988492368 /nfs/dbraw/zinc/49/23/68/988492368.db2.gz PCBCDGGCJRBERP-IEECTRCBSA-N 3 0 223.364 1.081 20 0 BDADRP COC(C)(C)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC001246809274 988492478 /nfs/dbraw/zinc/49/24/78/988492478.db2.gz GOJVKGRLWMSUGW-LBPRGKRZSA-N 2 0 226.364 1.628 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N1CC[NH2+]CC1(C)C ZINC001246812288 988497733 /nfs/dbraw/zinc/49/77/33/988497733.db2.gz YIFAWFDOTISATC-ZDUSSCGKSA-N 2 0 241.423 1.791 20 0 BDADRP CCOC(=O)CC[N@H+](C)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246815275 988499175 /nfs/dbraw/zinc/49/91/75/988499175.db2.gz XADCKPSJFLOWMR-WDEREUQCSA-N 2 0 228.336 1.012 20 0 BDADRP CC(C)[C@H]1C[C@@H](N2CC[NH2+]C(C)(C)C2)CC[NH2+]1 ZINC001246815988 988502301 /nfs/dbraw/zinc/50/23/01/988502301.db2.gz GESRIORQACIUJY-QWHCGFSZSA-N 2 0 239.407 1.447 20 0 BDADRP CC[C@H]1C[C@H](N(C)[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246821021 988513041 /nfs/dbraw/zinc/51/30/41/988513041.db2.gz SCRRDJVSFVFGCL-YNEHKIRRSA-N 2 0 225.380 1.201 20 0 BDADRP C1CC12C[N@@H+]([C@H]1CCC[C@]3(CC[NH2+]C3)C1)CCN2 ZINC001246831077 988520718 /nfs/dbraw/zinc/52/07/18/988520718.db2.gz AODRNJKVSBDFMZ-KBPBESRZSA-N 2 0 249.402 1.347 20 0 BDADRP C1CC12C[N@@H+]([C@H]1CCC[C@@]3(CC[NH2+]C3)C1)CCN2 ZINC001246831080 988521004 /nfs/dbraw/zinc/52/10/04/988521004.db2.gz AODRNJKVSBDFMZ-UONOGXRCSA-N 2 0 249.402 1.347 20 0 BDADRP C1CC12C[N@@H+]([C@@H]1CCC[C@]3(CC[NH2+]C3)C1)CCN2 ZINC001246831079 988521875 /nfs/dbraw/zinc/52/18/75/988521875.db2.gz AODRNJKVSBDFMZ-KGLIPLIRSA-N 2 0 249.402 1.347 20 0 BDADRP C[C@@H]1C[C@@H](N2CC[NH2+][C@@H](c3ccccc3)C2)C[NH2+]1 ZINC001246828943 988521994 /nfs/dbraw/zinc/52/19/94/988521994.db2.gz TXGSZYRBVREYNM-BPLDGKMQSA-N 2 0 245.370 1.383 20 0 BDADRP C[C@@H]1CC[C@@H](N(CC[NH3+])CC[NH3+])C[C@H]1C ZINC001246833053 988525468 /nfs/dbraw/zinc/52/54/68/988525468.db2.gz RFFHOHTXFBTZAN-IJLUTSLNSA-N 2 0 213.369 1.031 20 0 BDADRP C1N([C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC12CCCC[NH2+]2 ZINC001246831748 988527298 /nfs/dbraw/zinc/52/72/98/988527298.db2.gz DUKLPTFBHAKWJH-BTTYYORXSA-N 2 0 249.402 1.487 20 0 BDADRP C1N(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC12CCCC[NH2+]2 ZINC001246832678 988527985 /nfs/dbraw/zinc/52/79/85/988527985.db2.gz KLPXSXLMQVKYGA-FUNVUKJBSA-N 2 0 235.375 1.097 20 0 BDADRP CC(C)C1CCC(N(CC[NH3+])CC[NH3+])CC1 ZINC001246832032 988529105 /nfs/dbraw/zinc/52/91/05/988529105.db2.gz PQUBCFKNXARGNR-UHFFFAOYSA-N 2 0 227.396 1.421 20 0 BDADRP CCOCC1CC[NH+]([C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246844026 988552379 /nfs/dbraw/zinc/55/23/79/988552379.db2.gz FRMOVPZUIRVDIU-TZMCWYRMSA-N 2 0 240.391 1.875 20 0 BDADRP CN(C[C@@H]1CCC[NH2+]C1)[C@H]1CCCC[NH2+]C1 ZINC001246845412 988555373 /nfs/dbraw/zinc/55/53/73/988555373.db2.gz FZGVDDHBAJEYDH-OLZOCXBDSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@H]1CC[C@H](N2CCC[N@@H+]3CCC[C@H]3C2)C[NH2+]1 ZINC001246850595 988560861 /nfs/dbraw/zinc/56/08/61/988560861.db2.gz UUIMAIHKNNYAGZ-IHRRRGAJSA-N 2 0 237.391 1.297 20 0 BDADRP CC[N@H+](CCn1cccn1)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246851630 988568385 /nfs/dbraw/zinc/56/83/85/988568385.db2.gz ZANUUYPUBOAORX-STQMWFEESA-N 2 0 236.363 1.346 20 0 BDADRP CCN([C@@H]1CC[NH2+]C1)[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246853073 988568964 /nfs/dbraw/zinc/56/89/64/988568964.db2.gz SHTZMSJGOINFKC-YVECIDJPSA-N 2 0 225.380 1.199 20 0 BDADRP CCN([C@@H]1CCC[NH2+]C1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246853193 988570315 /nfs/dbraw/zinc/57/03/15/988570315.db2.gz HYDNWOVFLHRUFT-FRRDWIJNSA-N 2 0 225.380 1.201 20 0 BDADRP CC[N@H+](CCn1cccn1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246851628 988572801 /nfs/dbraw/zinc/57/28/01/988572801.db2.gz ZANUUYPUBOAORX-OLZOCXBDSA-N 2 0 236.363 1.346 20 0 BDADRP [NH3+][C@]12CC[C@H]1C[N@@H+](C1C[C@H]3CC[C@@H](C1)O3)C2 ZINC001246856290 988581174 /nfs/dbraw/zinc/58/11/74/988581174.db2.gz WPIZMTRMQWMOQE-ZZIFITQXSA-N 2 0 222.332 1.120 20 0 BDADRP [NH3+][C@@]12CC[C@@H]1C[N@@H+](C1C[C@H]3CC[C@@H](C1)O3)C2 ZINC001246856287 988581606 /nfs/dbraw/zinc/58/16/06/988581606.db2.gz WPIZMTRMQWMOQE-JVGWCMFKSA-N 2 0 222.332 1.120 20 0 BDADRP C[C@@H]1CO[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C)[NH2+]C3)C[C@H]12 ZINC001246854999 988583250 /nfs/dbraw/zinc/58/32/50/988583250.db2.gz RTVZPGGHZKPWJG-NZEXEKPDSA-N 2 0 224.348 1.094 20 0 BDADRP Cc1nc2c(n1[C@H]1CC[NH2+][C@H](C)C1)C[NH2+]CC2 ZINC001246860357 988599800 /nfs/dbraw/zinc/59/98/00/988599800.db2.gz HSMAHKHNQCCAQS-KOLCDFICSA-N 2 0 234.347 1.150 20 0 BDADRP Cc1nc2c(n1[C@H]1CC[NH2+][C@@H](C)C1)C[NH2+]CC2 ZINC001246860368 988600396 /nfs/dbraw/zinc/60/03/96/988600396.db2.gz HSMAHKHNQCCAQS-ONGXEEELSA-N 2 0 234.347 1.150 20 0 BDADRP [NH3+][C@]12CC[C@@H]1C[N@@H+]([C@@H]1CCC[C@]3(CC[NH2+]C3)C1)C2 ZINC001246861358 988601545 /nfs/dbraw/zinc/60/15/45/988601545.db2.gz PBJFJRKBAUVNPF-KBXIAJHMSA-N 3 0 249.402 1.332 20 0 BDADRP C[N@H+](C1CC1)C1CCN([C@H]2CCC[NH2+]C2)CC1 ZINC001246873076 988632944 /nfs/dbraw/zinc/63/29/44/988632944.db2.gz DEUMLAIIEAPUMJ-AWEZNQCLSA-N 2 0 237.391 1.297 20 0 BDADRP C1CC2(C1)C[C@@H](N1C[C@H]3CCC[C@@H](C1)[NH2+]3)CC[NH2+]2 ZINC001246880251 988650902 /nfs/dbraw/zinc/65/09/02/988650902.db2.gz IHPNNQCKBDJDTQ-MJBXVCDLSA-N 2 0 249.402 1.487 20 0 BDADRP CCCN([C@@H](C)CC[NH2+]C)C1CC[NH2+]CC1 ZINC001246894586 988663320 /nfs/dbraw/zinc/66/33/20/988663320.db2.gz OAYROSZRMGLVGK-LBPRGKRZSA-N 2 0 227.396 1.448 20 0 BDADRP CCC[C@H]1CN([C@@H]2CC[NH2+][C@H](C)C2)CC[NH2+]1 ZINC001246895397 988664795 /nfs/dbraw/zinc/66/47/95/988664795.db2.gz CEGHCZQFMUIOGC-FRRDWIJNSA-N 2 0 225.380 1.201 20 0 BDADRP C[NH2+][C@@H]1CCN1[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246895850 988670324 /nfs/dbraw/zinc/67/03/24/988670324.db2.gz FXIBHASZYQUISD-ILXRZTDVSA-N 2 0 245.370 1.731 20 0 BDADRP CCCC[C@H]1CN([C@@H]2C[NH2+][C@H](C)C2)CC[NH2+]1 ZINC001246896986 988670713 /nfs/dbraw/zinc/67/07/13/988670713.db2.gz BYDXZZFHYABUFO-AGIUHOORSA-N 2 0 225.380 1.201 20 0 BDADRP CCC[C@H]1CN([C@@H]2CCC[NH2+]CC2)CC[NH2+]1 ZINC001246904658 988670951 /nfs/dbraw/zinc/67/09/51/988670951.db2.gz WJMPCKXEHCNUFV-QWHCGFSZSA-N 2 0 225.380 1.202 20 0 BDADRP CCC[C@H]1CN([C@@H]2CC[C@@H](C)[NH2+]C2)CC[NH2+]1 ZINC001246903579 988679903 /nfs/dbraw/zinc/67/99/03/988679903.db2.gz PTGRPOUTQPXINI-FRRDWIJNSA-N 2 0 225.380 1.201 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@@H]1CN ZINC001246906820 988680465 /nfs/dbraw/zinc/68/04/65/988680465.db2.gz BANGSNQCKCSGQS-UONOGXRCSA-N 2 0 241.423 1.920 20 0 BDADRP CCCC[C@H]1CN([C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246903974 988684679 /nfs/dbraw/zinc/68/46/79/988684679.db2.gz SDPXENSOVNXAMQ-QWHCGFSZSA-N 2 0 225.380 1.202 20 0 BDADRP CN([C@@H]1CCC[NH2+]CC1)[C@]1(C)CCC[NH2+]C1 ZINC001246909427 988691250 /nfs/dbraw/zinc/69/12/50/988691250.db2.gz IQLOZHNHGGIBCD-CHWSQXEVSA-N 2 0 225.380 1.202 20 0 BDADRP C[N@H+](CCO)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001246911178 988693510 /nfs/dbraw/zinc/69/35/10/988693510.db2.gz FKVAQEVLJHJVIM-PBWFPOADSA-N 2 0 238.375 1.316 20 0 BDADRP CCC[C@@H]1CNCC[N@@H+]1[C@H]1CCC2(C[NH2+]C2)C1 ZINC001246911249 988694081 /nfs/dbraw/zinc/69/40/81/988694081.db2.gz AXFLBYOBYCFYSR-QWHCGFSZSA-N 2 0 237.391 1.202 20 0 BDADRP C[N@H+](CCO)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246911353 988696716 /nfs/dbraw/zinc/69/67/16/988696716.db2.gz GOAZXMPQDVKNIW-UHFFFAOYSA-N 2 0 226.364 1.223 20 0 BDADRP C1CC1N([C@@H]1CCC[NH2+]C1)[C@H]1CCCC[NH2+]C1 ZINC001246911705 988697464 /nfs/dbraw/zinc/69/74/64/988697464.db2.gz DGXOYFCRRFDSQC-UONOGXRCSA-N 2 0 237.391 1.345 20 0 BDADRP C[C@@H]1CC[C@H](N(C2CC2)[C@@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001246913819 988698204 /nfs/dbraw/zinc/69/82/04/988698204.db2.gz HBVSEYXVYSSVPQ-BNOWGMLFSA-N 2 0 237.391 1.343 20 0 BDADRP CC(C)[N@H+](C)[C@@H]1CCN([C@H]2CCC[NH2+]C2)C1 ZINC001246910919 988698491 /nfs/dbraw/zinc/69/84/91/988698491.db2.gz LQUBVAMKZRDWBR-QWHCGFSZSA-N 2 0 225.380 1.153 20 0 BDADRP C[N@H+](CCO)[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246911662 988701053 /nfs/dbraw/zinc/70/10/53/988701053.db2.gz IHPICQCMAQKWRM-CABCVRRESA-N 2 0 248.370 1.274 20 0 BDADRP C1[C@@H]2C[NH2+]C[C@H]2N1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246915325 988702085 /nfs/dbraw/zinc/70/20/85/988702085.db2.gz FJPRDXIJFGNVIO-GXTWGEPZSA-N 2 0 249.402 1.202 20 0 BDADRP C[NH2+]C1CCC([N@H+](C)[C@@H]2CCCC[C@H]2N)CC1 ZINC001246918776 988711556 /nfs/dbraw/zinc/71/15/56/988711556.db2.gz MBPFZQHBLCULHN-NWINJMCUSA-N 2 0 239.407 1.719 20 0 BDADRP C[NH2+]CC[C@H](C)N(C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001246918532 988719858 /nfs/dbraw/zinc/71/98/58/988719858.db2.gz KZHYDJPGWGQTET-SRVKXCTJSA-N 2 0 213.369 1.186 20 0 BDADRP CC(C)C[NH+]1CCC(N2C[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001246920994 988728104 /nfs/dbraw/zinc/72/81/04/988728104.db2.gz QLBJJQNEUCMGCL-TZMCWYRMSA-N 2 0 237.391 1.010 20 0 BDADRP CN1CCC[C@@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]21 ZINC001246923071 988740344 /nfs/dbraw/zinc/74/03/44/988740344.db2.gz YVSUYSOBUKAAEK-MQAAVTGUSA-N 2 0 249.402 1.295 20 0 BDADRP C1[NH2+][C@H]2CN([C@@H]3CC[NH2+]C4(CCCCC4)C3)C[C@H]12 ZINC001246922150 988740914 /nfs/dbraw/zinc/74/09/14/988740914.db2.gz URCUDYFFOGKCBV-MJBXVCDLSA-N 2 0 249.402 1.345 20 0 BDADRP C[C@@H]1C[C@@H](N(C)[C@@H]2CCCC[C@H]2[NH3+])C[C@H](C)[NH2+]1 ZINC001246922626 988741178 /nfs/dbraw/zinc/74/11/78/988741178.db2.gz VKGXZHAFRWVUTK-XVIXHAIJSA-N 2 0 239.407 1.717 20 0 BDADRP C[C@H]1C[C@@H]([N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CC[NH2+]1 ZINC001246929882 988746154 /nfs/dbraw/zinc/74/61/54/988746154.db2.gz IHYAETYTUINMQG-FQUUOJAGSA-N 3 0 237.391 1.058 20 0 BDADRP C[C@H]1C[C@@H]([N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CCO1 ZINC001246929313 988755663 /nfs/dbraw/zinc/75/56/63/988755663.db2.gz DVBKNXOADZPWHR-FQUUOJAGSA-N 2 0 238.375 1.485 20 0 BDADRP CCCC[C@@H]1C[C@@H](N2C[C@@H]3C[NH2+][C@@H]3C2)CC[NH2+]1 ZINC001246937622 988770236 /nfs/dbraw/zinc/77/02/36/988770236.db2.gz ZVFCFIJHPATOBI-RFQIPJPRSA-N 2 0 237.391 1.201 20 0 BDADRP C[NH2+]C[C@H]1CCCN1C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246938932 988771116 /nfs/dbraw/zinc/77/11/16/988771116.db2.gz PSHFAZMYWDDFBN-IJLUTSLNSA-N 2 0 225.380 1.199 20 0 BDADRP CCN(C[C@@H]1CC[NH2+]C1)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246942157 988773225 /nfs/dbraw/zinc/77/32/25/988773225.db2.gz NHRUZDXLSHRQSC-UPJWGTAASA-N 2 0 225.380 1.058 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N2C[C@@H]3CC[C@H]2C[NH2+]3)CC[NH2+]1 ZINC001246943512 988776517 /nfs/dbraw/zinc/77/65/17/988776517.db2.gz KXCGROFOWOZGDK-XUXIUFHCSA-N 2 0 237.391 1.199 20 0 BDADRP c1ccc(N([C@@H]2CC[NH2+]C2)[C@H]2CCC[NH2+]C2)nc1 ZINC001246957562 988788078 /nfs/dbraw/zinc/78/80/78/988788078.db2.gz BVDNNWHKVDXLPN-QWHCGFSZSA-N 2 0 246.358 1.002 20 0 BDADRP CC[N@H+](C)C1CCN([C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246948885 988788294 /nfs/dbraw/zinc/78/82/94/988788294.db2.gz GKUNXDPYYHARLD-GXTWGEPZSA-N 2 0 239.407 1.543 20 0 BDADRP C[C@H](N)C[N@H+](C)[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246980385 988789312 /nfs/dbraw/zinc/78/93/12/988789312.db2.gz HZVVTRYCKOYADC-XQQFMLRXSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@H]1CN([C@@H]2CC3CC[NH+](CC3)C2)C[C@@H](C)[NH2+]1 ZINC001246964749 988795940 /nfs/dbraw/zinc/79/59/40/988795940.db2.gz NBXMJYROVGLWCR-YRGRVCCFSA-N 2 0 237.391 1.153 20 0 BDADRP COC(=O)C[C@H]1CC[N@@H+]([C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246970259 988800848 /nfs/dbraw/zinc/80/08/48/988800848.db2.gz YTECPAIIXWQLPB-QJPTWQEYSA-N 2 0 240.347 1.012 20 0 BDADRP CC[C@@H]1C[C@H](N(C2CC2)[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC001246969056 988801108 /nfs/dbraw/zinc/80/11/08/988801108.db2.gz SJXJXOOHKCDOEX-MRVWCRGKSA-N 2 0 237.391 1.343 20 0 BDADRP CCCN(C[C@@H]1CC[NH2+]C1)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246976478 988806225 /nfs/dbraw/zinc/80/62/25/988806225.db2.gz QQFJMVGSLABXJS-MJBXVCDLSA-N 2 0 239.407 1.448 20 0 BDADRP CC[C@H]([NH3+])CN(C)[C@H](C)CC(=O)N(CC)CC ZINC001246974791 988807190 /nfs/dbraw/zinc/80/71/90/988807190.db2.gz RAGNYKCNBWGKEG-NEPJUHHUSA-N 2 0 243.395 1.303 20 0 BDADRP CCCN(C[C@@H]1CC[NH2+]C1)[C@@H]1C[NH2+][C@@H](C)C1 ZINC001246977137 988809235 /nfs/dbraw/zinc/80/92/35/988809235.db2.gz RVOKIGOEBBVCAL-XQQFMLRXSA-N 2 0 225.380 1.058 20 0 BDADRP CC[C@H]1C[C@H](N2C[C@H](C)C[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246982612 988815528 /nfs/dbraw/zinc/81/55/28/988815528.db2.gz GJMKCRGCKQTYSL-FVCCEPFGSA-N 2 0 225.380 1.186 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N2C[C@H](C)C[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246982726 988816838 /nfs/dbraw/zinc/81/68/38/988816838.db2.gz JQPGXKYUZHJABB-MQYQWHSLSA-N 2 0 239.407 1.432 20 0 BDADRP CC(C)(C)[C@@H]1C[C@@H](N2CC[NH2+]C2)CC[NH2+]1 ZINC001246989841 988821408 /nfs/dbraw/zinc/82/14/08/988821408.db2.gz IPJFTULWRYYVIC-QWRGUYRKSA-N 2 0 211.353 1.016 20 0 BDADRP CCC[C@H](C)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001246989447 988821537 /nfs/dbraw/zinc/82/15/37/988821537.db2.gz RPWFETWXBJNZQI-UONOGXRCSA-N 2 0 241.423 1.791 20 0 BDADRP CCC(CC)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001246987105 988822318 /nfs/dbraw/zinc/82/23/18/988822318.db2.gz MKJVVUBQZMCSAF-AWEZNQCLSA-N 2 0 241.423 1.791 20 0 BDADRP C1=C2[NH2+]CCN([C@H]3CCCC[NH2+]C3)[C@H]2CCC1 ZINC001246997174 988827495 /nfs/dbraw/zinc/82/74/95/988827495.db2.gz RBZSTEMEONGNJN-JSGCOSHPSA-N 2 0 235.375 1.470 20 0 BDADRP CCCN(C[C@H]1CC[NH2+]C1)[C@H](C)CC[NH2+]C ZINC001246997046 988827750 /nfs/dbraw/zinc/82/77/50/988827750.db2.gz USNDCBVUGRJEOV-OLZOCXBDSA-N 2 0 227.396 1.306 20 0 BDADRP CCCC[C@H]1C[C@@H](N2C[C@@H]([NH3+])C[C@H]2C)CC[NH2+]1 ZINC001246999087 988831973 /nfs/dbraw/zinc/83/19/73/988831973.db2.gz QPBIIIAYQRSWTQ-RFGFWPKPSA-N 2 0 239.407 1.719 20 0 BDADRP C[C@]1(C[NH3+])CCCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001247001791 988832327 /nfs/dbraw/zinc/83/23/27/988832327.db2.gz LHRIVIRAXHDJSG-QNMSZWNNSA-N 2 0 237.391 1.330 20 0 BDADRP COC(=O)[C@@]1(C)CC[N@@H+]([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001247000384 988834149 /nfs/dbraw/zinc/83/41/49/988834149.db2.gz ICXCBLVSZAKXHT-WZRBSPASSA-N 2 0 240.347 1.012 20 0 BDADRP CC[N@@H+]1CC[C@H](N2CC[C@H]3[NH2+]CCC[C@@H]3C2)C1 ZINC001247005139 988836150 /nfs/dbraw/zinc/83/61/50/988836150.db2.gz GERRHROTXWKCAJ-HZSPNIEDSA-N 2 0 237.391 1.155 20 0 BDADRP CC1(C)C[C@H]([N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)CO1 ZINC001247016157 988844255 /nfs/dbraw/zinc/84/42/55/988844255.db2.gz SAODTXBAROGNRD-FRRDWIJNSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@H]1C[C@H](N2CC[C@@H]3[NH2+]CCC[C@@H]3C2)CCO1 ZINC001247017131 988844684 /nfs/dbraw/zinc/84/46/84/988844684.db2.gz ZVSNLINUDRTWSX-DGAVXFQQSA-N 2 0 238.375 1.628 20 0 BDADRP Cc1cc(C[NH2+]C(C)(C)CCC[NH+](C)C)[nH]n1 ZINC001324676095 988926336 /nfs/dbraw/zinc/92/63/36/988926336.db2.gz GUDSWVYAQBNIKA-UHFFFAOYSA-N 2 0 238.379 1.928 20 0 BDADRP c1cc(N2CC[C@H]([NH+]3CCCC3)C2)cc[nH+]1 ZINC001515180554 989001319 /nfs/dbraw/zinc/00/13/19/989001319.db2.gz FBFSYNYASCNKNX-ZDUSSCGKSA-N 2 0 217.316 1.756 20 0 BDADRP C[C@H]1CCC[N@H+](CCNc2nccnc2C[NH3+])C1 ZINC001515361154 989036493 /nfs/dbraw/zinc/03/64/93/989036493.db2.gz BYXIXIUNWBWEFI-NSHDSACASA-N 2 0 249.362 1.079 20 0 BDADRP CC[N@@H+]1CCC[C@H](CN[C@@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC001325744297 989248738 /nfs/dbraw/zinc/24/87/38/989248738.db2.gz UGVPDPYYQKUMKK-MJBXVCDLSA-N 2 0 239.407 1.448 20 0 BDADRP C[NH2+][C@@H](C)CCN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC001326473424 989573705 /nfs/dbraw/zinc/57/37/05/989573705.db2.gz JTQAFEYKFFTJQG-SDDRHHMPSA-N 2 0 213.369 1.105 20 0 BDADRP [NH3+]CC1CCC([NH2+]CC[C@H](O)C2CC2)CC1 ZINC001120255255 989618671 /nfs/dbraw/zinc/61/86/71/989618671.db2.gz CGWYEJJBPZUFQC-GDKBPFBDSA-N 2 0 226.364 1.255 20 0 BDADRP CC(C)(C)[C@@H]([NH3+])CC(=O)N1CCC(C)([NH3+])CC1 ZINC001521527557 989730802 /nfs/dbraw/zinc/73/08/02/989730802.db2.gz OLESMUNRLZICOX-JTQLQIEISA-N 2 0 241.379 1.090 20 0 BDADRP CC(C)(C)[C@H]([NH3+])CC(=O)N1CCC(C)([NH3+])CC1 ZINC001521527558 989735608 /nfs/dbraw/zinc/73/56/08/989735608.db2.gz OLESMUNRLZICOX-SNVBAGLBSA-N 2 0 241.379 1.090 20 0 BDADRP C[NH2+]CCCCC(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001523519228 989926477 /nfs/dbraw/zinc/92/64/77/989926477.db2.gz JLSIAUQQOUBDTI-GFCCVEGCSA-N 2 0 241.379 1.025 20 0 BDADRP CC(C)(C)[C@H]([NH3+])CC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001121931939 990139820 /nfs/dbraw/zinc/13/98/20/990139820.db2.gz FHXWRZKCRYHZBN-GMTAPVOTSA-N 2 0 241.379 1.136 20 0 BDADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC001121985970 990167095 /nfs/dbraw/zinc/16/70/95/990167095.db2.gz FEFOFXYIDJMSSF-GARJFASQSA-N 2 0 243.395 1.240 20 0 BDADRP C[C@H](CCCC[NH3+])NC(=O)C[C@H]([NH3+])C(C)(C)C ZINC001122022386 990191676 /nfs/dbraw/zinc/19/16/76/990191676.db2.gz RUQROQDHVVFAPK-MNOVXSKESA-N 2 0 243.395 1.384 20 0 BDADRP C[NH2+]CCCCC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC001122066862 990219689 /nfs/dbraw/zinc/21/96/89/990219689.db2.gz SLHLEHLKSKHRAV-GFCCVEGCSA-N 2 0 241.379 1.010 20 0 BDADRP CC[C@H]([NH3+])C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC001122321126 990339343 /nfs/dbraw/zinc/33/93/43/990339343.db2.gz OIVYEAGJOWYVDR-NSHDSACASA-N 2 0 235.331 1.556 20 0 BDADRP C[NH+](C)CC1(C(=O)Nc2ccccc2C[NH3+])CC1 ZINC001122346340 990351755 /nfs/dbraw/zinc/35/17/55/990351755.db2.gz PORHHNBMLZSYMZ-UHFFFAOYSA-N 2 0 247.342 1.426 20 0 BDADRP CC[NH+](CC)CCNC(=O)[C@@H](C)CC[NH+](C)C ZINC001538713701 990542449 /nfs/dbraw/zinc/54/24/49/990542449.db2.gz UMEWBNPYHPMCJT-LBPRGKRZSA-N 2 0 243.395 1.032 20 0 BDADRP CCN1CCC[C@H]([NH2+]CCC[C@H]2CCOC2)C1 ZINC001308765600 991126168 /nfs/dbraw/zinc/12/61/68/991126168.db2.gz OHVZJLXBHPOADD-KBPBESRZSA-N 2 0 240.391 1.877 20 0 BDADRP COC(=O)CC[C@@H](C)[N@H+](CCC[NH3+])C(C)C ZINC001258348212 991257295 /nfs/dbraw/zinc/25/72/95/991257295.db2.gz JUWRSLUAKDEBKP-LLVKDONJSA-N 2 0 230.352 1.387 20 0 BDADRP COC(=O)CC[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC001258347307 991278092 /nfs/dbraw/zinc/27/80/92/991278092.db2.gz RJMWFLHYQBEOQR-LLVKDONJSA-N 2 0 242.363 1.260 20 0 BDADRP COC(=O)CC[C@@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC001258357451 991298835 /nfs/dbraw/zinc/29/88/35/991298835.db2.gz HLJFMKDOERWAOC-VWYCJHECSA-N 2 0 228.336 1.188 20 0 BDADRP COC(=O)CC[C@@H](C)[N@H+](C)CCC[NH+](C)C ZINC001258365478 991309546 /nfs/dbraw/zinc/30/95/46/991309546.db2.gz ZBSMUQUMBZWCGN-LLVKDONJSA-N 2 0 230.352 1.212 20 0 BDADRP CC[NH+]1C[C@@H]2C[NH+](CC3(CC)COC3)C[C@H]2C1 ZINC001202963896 991341194 /nfs/dbraw/zinc/34/11/94/991341194.db2.gz COLBEAQJIZVJEL-CHWSQXEVSA-N 2 0 238.375 1.297 20 0 BDADRP CCc1nocc1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001560476151 991483041 /nfs/dbraw/zinc/48/30/41/991483041.db2.gz ZYVQGJPBCNVLHQ-YHWZYXNKSA-N 2 0 249.358 1.952 20 0 BDADRP CC1(C)CC[C@@H]([NH+]2CCN(CCC[NH3+])CC2)C1 ZINC001258595827 991486526 /nfs/dbraw/zinc/48/65/26/991486526.db2.gz MIGKGBUVTLPOFT-CYBMUJFWSA-N 2 0 239.407 1.532 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@]2(CC)CCOC2)CC1 ZINC001560806078 991607660 /nfs/dbraw/zinc/60/76/60/991607660.db2.gz HEHUOKZLCNDTGL-CQSZACIVSA-N 2 0 240.391 1.877 20 0 BDADRP CCC[NH+]1CCC(n2ccc(CC[NH3+])n2)CC1 ZINC001258766102 991727157 /nfs/dbraw/zinc/72/71/57/991727157.db2.gz NWXLTOIUZUTGDQ-UHFFFAOYSA-N 2 0 236.363 1.431 20 0 BDADRP CCC[NH+]1CCC(N(C)C(C)(C)C[NH3+])CC1 ZINC001258768583 991732001 /nfs/dbraw/zinc/73/20/01/991732001.db2.gz SOZRUELFDCKHRF-UHFFFAOYSA-N 2 0 227.396 1.530 20 0 BDADRP CCC[NH+]1CCC(n2cc(CC[NH3+])cn2)CC1 ZINC001258767099 991733138 /nfs/dbraw/zinc/73/31/38/991733138.db2.gz PNIMUSFKEPRTGR-UHFFFAOYSA-N 2 0 236.363 1.431 20 0 BDADRP CCC[NH+]1CCC([NH+]2CCC(C)(O)CC2)CC1 ZINC001258771809 991736841 /nfs/dbraw/zinc/73/68/41/991736841.db2.gz VYRQLNVBBVUQMP-UHFFFAOYSA-N 2 0 240.391 1.708 20 0 BDADRP CCC[NH+]1CCC([N@@H+]2CCC[C@@](C)(O)C2)CC1 ZINC001258775141 991737505 /nfs/dbraw/zinc/73/75/05/991737505.db2.gz BKPQTSGRRYLFEH-CQSZACIVSA-N 2 0 240.391 1.708 20 0 BDADRP CCC[NH+]1CCC([N@H+](C)[C@H]2CCOC2)CC1 ZINC001258775320 991742054 /nfs/dbraw/zinc/74/20/54/991742054.db2.gz KCNCLJCZKJWHPX-ZDUSSCGKSA-N 2 0 226.364 1.582 20 0 BDADRP CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H](O)C[NH3+] ZINC001258779097 991747469 /nfs/dbraw/zinc/74/74/69/991747469.db2.gz SKBNZEHCZLEIND-DCAQKATOSA-N 2 0 202.342 1.110 20 0 BDADRP CC1CC([NH2+]C[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001474735012 991795212 /nfs/dbraw/zinc/79/52/12/991795212.db2.gz IONCZGKRAMXOJZ-YXMLORGKSA-N 2 0 208.349 1.716 20 0 BDADRP COc1ccccc1C[C@@H](C)[NH2+][C@@H]1C[C@H]1N ZINC001258881861 991887496 /nfs/dbraw/zinc/88/74/96/991887496.db2.gz FDMUIIMVOSDYMC-YUSALJHKSA-N 2 0 220.316 1.315 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C[C@@H](O)C1CC1 ZINC001258903336 991894033 /nfs/dbraw/zinc/89/40/33/991894033.db2.gz QFURFEZPXZACEN-GXTWGEPZSA-N 2 0 242.407 1.857 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCOCC1 ZINC001258907340 991898682 /nfs/dbraw/zinc/89/86/82/991898682.db2.gz IWYHWSYCIQFPFF-CYBMUJFWSA-N 2 0 228.380 1.829 20 0 BDADRP C[NH2+][C@@H](C)CC[NH2+]Cc1ccc(NC(C)=O)cc1 ZINC001261370612 992279131 /nfs/dbraw/zinc/27/91/31/992279131.db2.gz ONDMIXRSUPSRMY-NSHDSACASA-N 2 0 249.358 1.733 20 0 BDADRP CC[C@]1(c2nc([C@@H]3CCC[NH2+]3)no2)CC[NH2+]C1 ZINC001261481115 992331362 /nfs/dbraw/zinc/33/13/62/992331362.db2.gz MLMWBUPMIVFKNZ-CABZTGNLSA-N 2 0 236.319 1.135 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)CO1 ZINC001474757321 992530241 /nfs/dbraw/zinc/53/02/41/992530241.db2.gz UVJYTIDRWGXOPP-KSSYENDESA-N 2 0 224.348 1.094 20 0 BDADRP CC[C@@]1(C)CCC[N@H+](C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001573709394 992683329 /nfs/dbraw/zinc/68/33/29/992683329.db2.gz KLTCMYJHPHUISX-UONOGXRCSA-N 2 0 240.391 1.613 20 0 BDADRP COC1(C[NH2+]CC[C@@H](C)[NH+](C)C)CCOCC1 ZINC001262189176 992783408 /nfs/dbraw/zinc/78/34/08/992783408.db2.gz RNRPTTUXUIJZQS-GFCCVEGCSA-N 2 0 244.379 1.112 20 0 BDADRP CO[C@H]1C[C@@H]([N@H+](C)CC2CC[NH2+]CC2)C1 ZINC001574010921 992791416 /nfs/dbraw/zinc/79/14/16/992791416.db2.gz VFMXQDARYBFQQC-TXEJJXNPSA-N 2 0 212.337 1.095 20 0 BDADRP Cc1cc(NC(=O)[C@H]([NH3+])C(C)(C)C)cc(C)n1 ZINC001574137238 992809889 /nfs/dbraw/zinc/80/98/89/992809889.db2.gz MTBPERHRPRGKFY-NSHDSACASA-N 2 0 235.331 1.432 20 0 BDADRP C([N@@H+]1CCC[C@H](C2CC2)C1)[C@]12C[C@H]1C[NH2+]C2 ZINC001574774415 992898477 /nfs/dbraw/zinc/89/84/77/992898477.db2.gz MUCOYNCAWSJGQI-MELADBBJSA-N 2 0 220.360 1.718 20 0 BDADRP C1CC12CCC[C@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001574795951 992910269 /nfs/dbraw/zinc/91/02/69/992910269.db2.gz QUXYNHBCSOGVBI-WRWGMCAJSA-N 2 0 206.333 1.802 20 0 BDADRP C([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[C@H]1[C@@H]2C[NH2+]C[C@H]12 ZINC001574795175 992911377 /nfs/dbraw/zinc/91/13/77/992911377.db2.gz LQXMEBMAVUAXHE-XARVFOJUSA-N 2 0 206.333 1.230 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC001575130431 992994819 /nfs/dbraw/zinc/99/48/19/992994819.db2.gz MIIBQSLEUKJFBT-AVGNSLFASA-N 2 0 239.407 1.291 20 0 BDADRP CC(C)(C)[NH2+]CCC(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC001575141124 992996384 /nfs/dbraw/zinc/99/63/84/992996384.db2.gz LVDBWWKNVZMRTB-UWVGGRQHSA-N 2 0 241.379 1.007 20 0 BDADRP CC(C)[C@@H](CO)C[NH2+]C[C@@H](N)CC(F)(F)F ZINC001575436500 993044481 /nfs/dbraw/zinc/04/44/81/993044481.db2.gz ZPVOZHWIRHHZMT-BDAKNGLRSA-N 2 0 242.285 1.120 20 0 BDADRP CC(C)(O)C[N@@H+]1C[C@@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001575379803 993032786 /nfs/dbraw/zinc/03/27/86/993032786.db2.gz LRVJKGXWJAZUMB-WCQYABFASA-N 2 0 226.364 1.208 20 0 BDADRP CC(C)[C@@H](C[NH3+])C[NH2+]CCO[C@H]1CCCCO1 ZINC001575422881 993034902 /nfs/dbraw/zinc/03/49/02/993034902.db2.gz NTDIWFMYGRATFG-STQMWFEESA-N 2 0 244.379 1.350 20 0 BDADRP CC(C)(O)c1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])C2)cc1 ZINC001575387773 993035021 /nfs/dbraw/zinc/03/50/21/993035021.db2.gz QBZVORABVHZKFV-BETUJISGSA-N 2 0 234.343 1.493 20 0 BDADRP CC(C)[C@@H](C[NH3+])C[NH2+][C@@H]1CCC2(C1)OCCO2 ZINC001575422293 993039655 /nfs/dbraw/zinc/03/96/55/993039655.db2.gz HZUVDBVIQLDDKB-NWDGAFQWSA-N 2 0 242.363 1.103 20 0 BDADRP CC(C)[C@@H](CO)[C@H]([NH2+]C1CC([NH3+])C1)C(C)C ZINC001575431620 993039966 /nfs/dbraw/zinc/03/99/66/993039966.db2.gz DGIZWPOESDXKJE-FIYWTHMPSA-N 2 0 228.380 1.355 20 0 BDADRP CC(C)[C@H](C[NH3+])C[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC001575423834 993041288 /nfs/dbraw/zinc/04/12/88/993041288.db2.gz YVLIYFWFRFWLAF-YIYPIFLZSA-N 2 0 240.391 1.765 20 0 BDADRP CC(C)[C@H](C[NH3+])C[NH2+][C@H]1CCC2(C1)OCCO2 ZINC001575422292 993041742 /nfs/dbraw/zinc/04/17/42/993041742.db2.gz HZUVDBVIQLDDKB-NEPJUHHUSA-N 2 0 242.363 1.103 20 0 BDADRP CC(C)[C@H](C[NH2+]CC1(O)CNC1)c1ccccc1 ZINC001575435712 993043983 /nfs/dbraw/zinc/04/39/83/993043983.db2.gz WBTYKNGUURKLNH-AWEZNQCLSA-N 2 0 248.370 1.350 20 0 BDADRP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC001575552316 993069770 /nfs/dbraw/zinc/06/97/70/993069770.db2.gz BQKAGRLIVOXVQV-MCIONIFRSA-N 2 0 242.407 1.891 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C[C@@H]([NH3+])C(C)(C)C ZINC001263130217 993127875 /nfs/dbraw/zinc/12/78/75/993127875.db2.gz NTWBEQCWBRKPGB-GARJFASQSA-N 2 0 241.379 1.007 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CCCc1cnn(C)c1 ZINC001575951865 993136030 /nfs/dbraw/zinc/13/60/30/993136030.db2.gz LBQNSVPBHJRRNB-LLVKDONJSA-N 2 0 224.352 1.070 20 0 BDADRP C[C@@H](CCN[C@@H]1CC[NH2+]CC(C)(C)C1)[NH+](C)C ZINC001575966877 993142953 /nfs/dbraw/zinc/14/29/53/993142953.db2.gz ISMZDJRJXUOTIT-QWHCGFSZSA-N 2 0 241.423 1.694 20 0 BDADRP C[C@@H](C[NH+]1CCCCC1)NCC12CC(C1)C[NH2+]2 ZINC001576008550 993156986 /nfs/dbraw/zinc/15/69/86/993156986.db2.gz QZTKAWNYRWBLHP-HSBZDZAISA-N 2 0 237.391 1.202 20 0 BDADRP C[C@@H](COCC1CC1)[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001576041157 993164599 /nfs/dbraw/zinc/16/45/99/993164599.db2.gz NPVTVFNHNSOEEE-SEQVUMHKSA-N 2 0 224.348 1.271 20 0 BDADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC001576053228 993167390 /nfs/dbraw/zinc/16/73/90/993167390.db2.gz UQIWTDLHYJBBOB-YUSALJHKSA-N 2 0 220.316 1.403 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc[nH]c(=O)c2)C1 ZINC001576116916 993187596 /nfs/dbraw/zinc/18/75/96/993187596.db2.gz BSJUKTMSXBVANK-PWSUYJOCSA-N 2 0 235.331 1.346 20 0 BDADRP C[C@H]([NH3+])C[N@@H+]1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1 ZINC001576156849 993195571 /nfs/dbraw/zinc/19/55/71/993195571.db2.gz LFYOINIHVBUXEI-IEECTRCBSA-N 2 0 208.349 1.702 20 0 BDADRP [NH3+]Cc1ccccc1NC(=O)[C@@H]([NH3+])CC(F)F ZINC001263266331 993198805 /nfs/dbraw/zinc/19/88/05/993198805.db2.gz LTQRFRVRTQQZIH-QMMMGPOBSA-N 2 0 243.257 1.066 20 0 BDADRP C[C@H]([NH2+]C(C)(C)C[NH3+])[C@H]1CCCCO1 ZINC001576234350 993223053 /nfs/dbraw/zinc/22/30/53/993223053.db2.gz WCAFLTIWYIKDHS-VHSXEESVSA-N 2 0 200.326 1.271 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)[C@H]1COC(C)(C)O1 ZINC001576238998 993225495 /nfs/dbraw/zinc/22/54/95/993225495.db2.gz KKCYQEHHRHZGKN-FIQHERPVSA-N 2 0 242.363 1.243 20 0 BDADRP C[C@H]([NH2+]C1CC2(CC([NH3+])C2)C1)[C@H]1CCCO1 ZINC001576238008 993225657 /nfs/dbraw/zinc/22/56/57/993225657.db2.gz BUBSJWTVLWMINZ-ZBHCNIRXSA-N 2 0 224.348 1.413 20 0 BDADRP C[C@H]([NH2+]C1CC2(C[C@H]2[NH3+])C1)[C@@H]1CCCOC1 ZINC001576239925 993226014 /nfs/dbraw/zinc/22/60/14/993226014.db2.gz UCGTVCKVEUHMHI-UVRVNTCESA-N 2 0 224.348 1.271 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)[C@H]1COC(C)(C)O1 ZINC001576239003 993227320 /nfs/dbraw/zinc/22/73/20/993227320.db2.gz KKCYQEHHRHZGKN-IRCOFANPSA-N 2 0 242.363 1.243 20 0 BDADRP C[C@H](O)[C@H]1CCCC[N@@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576269014 993246568 /nfs/dbraw/zinc/24/65/68/993246568.db2.gz KHYDPDTTXQDPDV-WUHRBBMRSA-N 2 0 226.364 1.349 20 0 BDADRP CC(C)[NH+]1CCC(NC[C@H](C)C[NH3+])CC1 ZINC000379836623 993286244 /nfs/dbraw/zinc/28/62/44/993286244.db2.gz FLYWESDUZMMLKX-LLVKDONJSA-N 2 0 213.369 1.044 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+][C@@H](CO)CC1CCC1 ZINC001576383461 993289053 /nfs/dbraw/zinc/28/90/53/993289053.db2.gz OUDVGUDUWJELAW-UTUOFQBUSA-N 2 0 226.364 1.253 20 0 BDADRP C[C@]1(C[N@@H+]2CCC[C@H](C[NH3+])C2)CCCCO1 ZINC001576502953 993326444 /nfs/dbraw/zinc/32/64/44/993326444.db2.gz JMIVDHGUFHEDGQ-CHWSQXEVSA-N 2 0 226.364 1.616 20 0 BDADRP C[C@@]1(C[NH2+]C[C@H]2CCCC(C)(C)O2)CC[NH2+]C1 ZINC001576518753 993327337 /nfs/dbraw/zinc/32/73/37/993327337.db2.gz GNTHWBODBGIZIF-TZMCWYRMSA-N 2 0 240.391 1.923 20 0 BDADRP CC(C)(C)[C@H](O)C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000380684772 993343133 /nfs/dbraw/zinc/34/31/33/993343133.db2.gz HFWVMXWZQLDURQ-NWDGAFQWSA-N 2 0 228.380 1.454 20 0 BDADRP CC12CC(C[NH2+][C@H]3C[C@@H]([NH3+])C3(C)C)(C1)CO2 ZINC001576552830 993343415 /nfs/dbraw/zinc/34/34/15/993343415.db2.gz DZKBXYXTVCDKCR-PGKBUCCNSA-N 2 0 224.348 1.271 20 0 BDADRP C[C@H]1C[C@@H](C[N@@H+]2C[C@H]3CCN(C)[C@H]3C2)CC[NH2+]1 ZINC001576598265 993364337 /nfs/dbraw/zinc/36/43/37/993364337.db2.gz NBCNMMFCCPFLQP-FQUUOJAGSA-N 2 0 237.391 1.010 20 0 BDADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cc[nH]c(=O)c1 ZINC001576608287 993365919 /nfs/dbraw/zinc/36/59/19/993365919.db2.gz PPCULUFFIOUDBN-ONGXEEELSA-N 2 0 221.304 1.099 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C2CC3(CC([NH3+])C3)C2)CCN1C ZINC001576623967 993373404 /nfs/dbraw/zinc/37/34/04/993373404.db2.gz NJUHNTBQPKXTSA-DZRIKWTFSA-N 2 0 237.391 1.329 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C2CC3(C[C@H]3[NH3+])C2)[C@@H](C)O1 ZINC001576623923 993374080 /nfs/dbraw/zinc/37/40/80/993374080.db2.gz MUMJLZZLXHPZKT-ABSAAUHMSA-N 2 0 210.321 1.022 20 0 BDADRP C[C@@H]1CCC[C@@H]([NH2+]C[C@]2(O)CC[NH2+]C2)CC1 ZINC001576679655 993381075 /nfs/dbraw/zinc/38/10/75/993381075.db2.gz FGCGYBLFBPJJDT-UPJWGTAASA-N 2 0 226.364 1.269 20 0 BDADRP C[C@H]1CC[C@@](CO)([N@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC001576650833 993383648 /nfs/dbraw/zinc/38/36/48/993383648.db2.gz NOKWBISHSBNCDO-RFQIPJPRSA-N 2 0 240.391 1.325 20 0 BDADRP COc1ccc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)cn1 ZINC000381263340 993383911 /nfs/dbraw/zinc/38/39/11/993383911.db2.gz PVQHTIVBTGUKOU-GFCCVEGCSA-N 2 0 249.358 1.651 20 0 BDADRP COC[C@H](C)[NH2+][C@H]1CC[N@@H+](C(C)C)C[C@@H]1C ZINC000381323902 993384456 /nfs/dbraw/zinc/38/44/56/993384456.db2.gz QBRFFFWPUSBYNZ-AVGNSLFASA-N 2 0 228.380 1.730 20 0 BDADRP C[C@H]1C[C@H](Nc2cc[nH+]cc2)C[N@@H+]1C1CC1 ZINC000381306655 993385895 /nfs/dbraw/zinc/38/58/95/993385895.db2.gz KNPFACONALWIPV-JQWIXIFHSA-N 2 0 217.316 1.541 20 0 BDADRP C[C@@H]1CC[C@H](NC[C@@H]2C[NH+]3CCC2CC3)C[NH2+]1 ZINC001576669931 993389037 /nfs/dbraw/zinc/38/90/37/993389037.db2.gz CXTAFEPRFQSDCP-BNOWGMLFSA-N 2 0 237.391 1.058 20 0 BDADRP CN1CC[C@H]([NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000381374411 993389890 /nfs/dbraw/zinc/38/98/90/993389890.db2.gz JGTCPUHYPITNCE-AVGNSLFASA-N 2 0 225.380 1.153 20 0 BDADRP CC1CCC([NH2+]C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC001576669899 993389934 /nfs/dbraw/zinc/38/99/34/993389934.db2.gz BVJPXARGBIQBHP-WXRRBKDZSA-N 2 0 238.375 1.676 20 0 BDADRP C[C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1O ZINC001576729537 993408294 /nfs/dbraw/zinc/40/82/94/993408294.db2.gz QEDCICAIHADYSM-RKFYDKJMSA-N 2 0 238.375 1.220 20 0 BDADRP C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CCC[NH2+]C1CC1 ZINC001576730985 993408718 /nfs/dbraw/zinc/40/87/18/993408718.db2.gz BPRBWXUQKRSAAB-BZPMIXESSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@H]1CC[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C[C@@H]1CO ZINC001576732467 993408797 /nfs/dbraw/zinc/40/87/97/993408797.db2.gz VBDSLAOWKLIAFQ-WUHRBBMRSA-N 2 0 226.364 1.064 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC001576755037 993414990 /nfs/dbraw/zinc/41/49/90/993414990.db2.gz WNHGKLVPRGTSIK-ASEORRQLSA-N 2 0 238.375 1.532 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H]2C[C@@H](OC)C2)CC1 ZINC000381782218 993423501 /nfs/dbraw/zinc/42/35/01/993423501.db2.gz YCYPIGKJQXJXDB-BETUJISGSA-N 2 0 226.364 1.628 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C[C@]1(C)CO ZINC001576807432 993426761 /nfs/dbraw/zinc/42/67/61/993426761.db2.gz PWPAVUUGMNMRNC-YVECIDJPSA-N 2 0 226.364 1.064 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CSC[C@H]1C ZINC001576860043 993438747 /nfs/dbraw/zinc/43/87/47/993438747.db2.gz FHZIBRVLJXHMOT-CHWFTXMASA-N 2 0 214.378 1.183 20 0 BDADRP C[C@@H]1Cc2cc(C[NH2+]C3CC([NH3+])C3)ccc2O1 ZINC001576863007 993439646 /nfs/dbraw/zinc/43/96/46/993439646.db2.gz RMRPEZFNKTXVII-UHEGKEBESA-N 2 0 232.327 1.589 20 0 BDADRP C[C@@H]1OCC[C@H]1[NH2+]C[C@H]1CCC[NH2+]CC1 ZINC001576903073 993450251 /nfs/dbraw/zinc/45/02/51/993450251.db2.gz FMSOKLQESBKQCK-SDDRHHMPSA-N 2 0 212.337 1.143 20 0 BDADRP CC[C@@](C)(C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)OC ZINC001576949874 993465674 /nfs/dbraw/zinc/46/56/74/993465674.db2.gz TYDFGKYDAUQOOJ-KBPBESRZSA-N 2 0 240.391 1.877 20 0 BDADRP CC[C@](C)(O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001576959319 993467681 /nfs/dbraw/zinc/46/76/81/993467681.db2.gz FFHIQPYUUVOWPX-QWHCGFSZSA-N 2 0 226.364 1.223 20 0 BDADRP CC[C@H](C[C@@H](C)O)[NH2+]C[C@@H]([NH3+])CC(F)F ZINC001577044363 993485670 /nfs/dbraw/zinc/48/56/70/993485670.db2.gz RUBANHDZEXSEHY-HRDYMLBCSA-N 2 0 224.295 1.108 20 0 BDADRP CC[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)C(=O)OC ZINC001577089856 993498046 /nfs/dbraw/zinc/49/80/46/993498046.db2.gz OGDHVHCOXIZQLS-OUAUKWLOSA-N 2 0 240.347 1.045 20 0 BDADRP C[C@@H]1CC[C@H](N2CC[C@@]3(CC[N@H+](C)C3)C2)C[NH2+]1 ZINC000383901632 993524870 /nfs/dbraw/zinc/52/48/70/993524870.db2.gz NSIXZRCILUOBGP-HZSPNIEDSA-N 2 0 237.391 1.155 20 0 BDADRP C[C@@H]1CC[C@@H](N2CC[C@]3(CC[N@H+](C)C3)C2)C[NH2+]1 ZINC000383901634 993526991 /nfs/dbraw/zinc/52/69/91/993526991.db2.gz NSIXZRCILUOBGP-MCIONIFRSA-N 2 0 237.391 1.155 20 0 BDADRP CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)[C@H]1CCCCO1 ZINC001577175506 993531306 /nfs/dbraw/zinc/53/13/06/993531306.db2.gz AKPKCSHHBIMZIZ-MGPQQGTHSA-N 2 0 240.391 1.923 20 0 BDADRP CC[C@@H]([NH2+]C[C@@]1(O)CC[NH2+]C1)C1CCCC1 ZINC001577176047 993533428 /nfs/dbraw/zinc/53/34/28/993533428.db2.gz QNXOEUGRTFWXNE-CHWSQXEVSA-N 2 0 226.364 1.269 20 0 BDADRP CC[C@@H]([NH2+]C1CC2(C[C@@H]2[NH3+])C1)C(C)(C)O ZINC001577175937 993534453 /nfs/dbraw/zinc/53/44/53/993534453.db2.gz NAIIBWUPTWNNAJ-MBPTXSFVSA-N 2 0 212.337 1.005 20 0 BDADRP CC[C@@H](O)C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001577182618 993537518 /nfs/dbraw/zinc/53/75/18/993537518.db2.gz QGWOPYODMRKVCZ-OLZOCXBDSA-N 2 0 226.364 1.223 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+][C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC001577240810 993553195 /nfs/dbraw/zinc/55/31/95/993553195.db2.gz NDEVMAFQERYNKY-WISYIIOYSA-N 2 0 212.337 1.271 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]C2CC3(CC([NH3+])C3)C2)CO1 ZINC001577240206 993556823 /nfs/dbraw/zinc/55/68/23/993556823.db2.gz CUWRVBHFPMNZKH-SIYMCWSESA-N 2 0 224.348 1.413 20 0 BDADRP CC[C@@H]1CC[N@H+](C[C@@](C)(O)C[NH2+]C)[C@@H]1C ZINC001577263658 993568424 /nfs/dbraw/zinc/56/84/24/993568424.db2.gz UHOPAEKCMRLELB-UTUOFQBUSA-N 2 0 214.353 1.077 20 0 BDADRP CC[C@@H]1C[N@H+](C)CCN1C[C@@H]1CCC[NH2+]C1 ZINC001577280108 993576936 /nfs/dbraw/zinc/57/69/36/993576936.db2.gz XOTCNUPECYKTET-CHWSQXEVSA-N 2 0 225.380 1.012 20 0 BDADRP CCC[C@H](C)[C@@H](CO)[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001577336194 993606628 /nfs/dbraw/zinc/60/66/28/993606628.db2.gz KYZCAYQZUNPICE-FDVIIKHLSA-N 2 0 226.364 1.253 20 0 BDADRP CCCC[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC001577387949 993638123 /nfs/dbraw/zinc/63/81/23/993638123.db2.gz CNOHTNBKUHXDFD-NEPJUHHUSA-N 2 0 242.363 1.389 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)N1CC[C@H]([N@H+](C)CC)C1 ZINC001577401010 993643964 /nfs/dbraw/zinc/64/39/64/993643964.db2.gz UCGXZDSPRSZEHD-RYUDHWBXSA-N 2 0 241.379 1.057 20 0 BDADRP CCCCC1([NH2+]C[C@@](C)(O)C[NH2+]C)CC1 ZINC001577419169 993659746 /nfs/dbraw/zinc/65/97/46/993659746.db2.gz LRQXOFPSPMLLDL-NSHDSACASA-N 2 0 214.353 1.269 20 0 BDADRP CCCCC1([NH2+]C[C@](C)(O)C[NH2+]C)CC1 ZINC001577419168 993658764 /nfs/dbraw/zinc/65/87/64/993658764.db2.gz LRQXOFPSPMLLDL-LLVKDONJSA-N 2 0 214.353 1.269 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC001577510250 993677761 /nfs/dbraw/zinc/67/77/61/993677761.db2.gz HKULHHNMDDQFAJ-SDDRHHMPSA-N 2 0 243.395 1.206 20 0 BDADRP CCCN1CCC[C@H]1C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC001577535765 993682191 /nfs/dbraw/zinc/68/21/91/993682191.db2.gz HMSKBFBYBWFGKO-IHRRRGAJSA-N 2 0 239.407 1.578 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H](C)O ZINC000386751860 993694650 /nfs/dbraw/zinc/69/46/50/993694650.db2.gz GSNFNXGFECUSOZ-NDBYEHHHSA-N 2 0 226.364 1.362 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CC23CCOCC3)CC1 ZINC000386949236 993699492 /nfs/dbraw/zinc/69/94/92/993699492.db2.gz WHHYMCIRTLGAHW-QWHCGFSZSA-N 2 0 238.375 1.629 20 0 BDADRP CC[NH+]1CCC(n2c(C)nc3c2C[NH2+]CC3)CC1 ZINC000387407339 993708150 /nfs/dbraw/zinc/70/81/50/993708150.db2.gz MBMQJHABTJILJP-UHFFFAOYSA-N 2 0 248.374 1.494 20 0 BDADRP CO[C@@H](C)C[NH2+]C(C)(C)CCC[NH+](C)C ZINC000387381594 993710298 /nfs/dbraw/zinc/71/02/98/993710298.db2.gz YMSZGIDBHJNMHP-NSHDSACASA-N 2 0 216.369 1.731 20 0 BDADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)C(C)(C)O ZINC000390480954 993790182 /nfs/dbraw/zinc/79/01/82/993790182.db2.gz MTXGFWUQFLNVEC-VOMCLLRMSA-N 2 0 228.380 1.608 20 0 BDADRP [NH3+]C[C@@H]1CCCN1C1CC[NH+](C2CC2)CC1 ZINC000390615976 993800040 /nfs/dbraw/zinc/80/00/40/993800040.db2.gz CXQAQFXHIWWIFA-ZDUSSCGKSA-N 2 0 223.364 1.036 20 0 BDADRP CC[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH+](CC)CC ZINC000390599912 993801168 /nfs/dbraw/zinc/80/11/68/993801168.db2.gz VQKCXHLYTQBIQH-CHWSQXEVSA-N 2 0 228.380 1.564 20 0 BDADRP C[C@H]1C[C@@H](N2CCC([NH+]3CCC3)CC2)CC[NH2+]1 ZINC000700401576 993836185 /nfs/dbraw/zinc/83/61/85/993836185.db2.gz VTLYEPMLFMQSLP-JSGCOSHPSA-N 2 0 237.391 1.297 20 0 BDADRP CC(C)O[C@@H]1CC[N@@H+]([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000701658431 993898249 /nfs/dbraw/zinc/89/82/49/993898249.db2.gz RXAVVATYAOYZHH-JHJVBQTASA-N 2 0 226.364 1.626 20 0 BDADRP CCO[C@@H]1CCN([C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000701663803 993901449 /nfs/dbraw/zinc/90/14/49/993901449.db2.gz QRNQMOGMEDSHHA-SDDRHHMPSA-N 2 0 212.337 1.238 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+]CC2(OC)CCC2)C1 ZINC001336732433 995087127 /nfs/dbraw/zinc/08/71/27/995087127.db2.gz QDHLYWJNGHIKOL-LBPRGKRZSA-N 2 0 226.364 1.487 20 0 BDADRP CS[C@@H](C)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422941702 398159909 /nfs/dbraw/zinc/15/99/09/398159909.db2.gz VLSFLDWAPRBGMW-WHXUTIOJSA-N 2 0 216.394 1.845 20 0 BDADRP C[C@@H](CCO)[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000649869708 398155414 /nfs/dbraw/zinc/15/54/14/398155414.db2.gz KJFLMZISFSGHIS-RYUDHWBXSA-N 2 0 214.353 1.173 20 0 BDADRP CC[NH+](CC)CCC[N@H+](C)[C@@H](C)CCO ZINC000649870472 398157448 /nfs/dbraw/zinc/15/74/48/398157448.db2.gz AGYVTPOOUDXAEH-LBPRGKRZSA-N 2 0 216.369 1.421 20 0 BDADRP C[C@H](C[C@H]1CCCO1)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422907809 398157970 /nfs/dbraw/zinc/15/79/70/398157970.db2.gz XRTCYNWKPZAHPO-FDYHWXHSSA-N 2 0 226.364 1.674 20 0 BDADRP CCC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)CC1CC1 ZINC000380077845 398183052 /nfs/dbraw/zinc/18/30/52/398183052.db2.gz ROJYELYAWCSJLO-AWEZNQCLSA-N 2 0 242.407 1.810 20 0 BDADRP CC[C@@](C)(C[NH2+]CCCC[NH+](C)C)OC ZINC000390336908 398172257 /nfs/dbraw/zinc/17/22/57/398172257.db2.gz LORDBKOYBGXGSI-LBPRGKRZSA-N 2 0 216.369 1.733 20 0 BDADRP CC1(C)C[N@H+](CC[C@H]2CCC[NH2+]C2)CCCO1 ZINC000379947461 398178005 /nfs/dbraw/zinc/17/80/05/398178005.db2.gz ZGBBNTOHHAIKRM-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP CC(C)C[N@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000380055514 398182068 /nfs/dbraw/zinc/18/20/68/398182068.db2.gz YEBGHNRLMBDBRU-GFCCVEGCSA-N 2 0 216.369 1.275 20 0 BDADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000423019600 398161095 /nfs/dbraw/zinc/16/10/95/398161095.db2.gz WHPYLOQYZPCPDV-YIYPIFLZSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CCSCC(F)(F)F ZINC000423021683 398162381 /nfs/dbraw/zinc/16/23/81/398162381.db2.gz FXZNRQALDXAOST-MRVPVSSYSA-N 2 0 244.326 1.999 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])[C@@H](O)C(C)C ZINC000423174497 398164367 /nfs/dbraw/zinc/16/43/67/398164367.db2.gz CFZXPUOAINFHEJ-AVGNSLFASA-N 2 0 230.396 1.889 20 0 BDADRP C[N@@H+]1CCC[C@@H](CC[NH2+]CC(C)(C)O)C1 ZINC000258687748 349516848 /nfs/dbraw/zinc/51/68/48/349516848.db2.gz BGZVQQCXSMPPAK-NSHDSACASA-N 2 0 214.353 1.079 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+]CC(C)(C)O)C1 ZINC000258687745 349516869 /nfs/dbraw/zinc/51/68/69/349516869.db2.gz BGZVQQCXSMPPAK-LLVKDONJSA-N 2 0 214.353 1.079 20 0 BDADRP Cc1cc(F)ccc1C[NH2+][C@H](C)CC[NH3+] ZINC000220503606 178086564 /nfs/dbraw/zinc/08/65/64/178086564.db2.gz CODWNIWPXGNVCQ-SNVBAGLBSA-N 2 0 210.296 1.961 20 0 BDADRP O[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647795765 398194175 /nfs/dbraw/zinc/19/41/75/398194175.db2.gz VTQWNBJXWFEQSZ-HPCHECBXSA-N 2 0 238.375 1.268 20 0 BDADRP COC[C@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000334260153 398194625 /nfs/dbraw/zinc/19/46/25/398194625.db2.gz RKCLILJIDLWLMO-QWHCGFSZSA-N 2 0 226.364 1.439 20 0 BDADRP Cc1cc(N2CCC[N@@H+]([C@@H](C)CO)CC2)cc[nH+]1 ZINC000365348936 178115207 /nfs/dbraw/zinc/11/52/07/178115207.db2.gz XZIMECOCPSXNQU-ZDUSSCGKSA-N 2 0 249.358 1.283 20 0 BDADRP COC[C@@H](C)C[NH+]1CCC(C)([NH3+])CC1 ZINC000380090694 398184475 /nfs/dbraw/zinc/18/44/75/398184475.db2.gz ITTJCVDWCYOAPS-JTQLQIEISA-N 2 0 200.326 1.082 20 0 BDADRP COCC[N@H+](C[C@@H](C)[NH3+])C1CCCC1 ZINC000380147140 398185121 /nfs/dbraw/zinc/18/51/21/398185121.db2.gz WYNJASZJYNOCMQ-SNVBAGLBSA-N 2 0 200.326 1.225 20 0 BDADRP Cc1cc(N2CC[C@H]([C@@H](C)[NH3+])C2)cc[nH+]1 ZINC000229577386 178119948 /nfs/dbraw/zinc/11/99/48/178119948.db2.gz AGXTWQQHUADLGZ-MNOVXSKESA-N 2 0 205.305 1.564 20 0 BDADRP C[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])CC(F)F ZINC000647800623 398207150 /nfs/dbraw/zinc/20/71/50/398207150.db2.gz HZUINWMYZMWCCR-AEJSXWLSSA-N 2 0 220.307 1.995 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386466728 398208490 /nfs/dbraw/zinc/20/84/90/398208490.db2.gz PZBHVMBBRYYIKK-MELADBBJSA-N 2 0 241.423 1.837 20 0 BDADRP CCC[C@H](C[NH2+][C@@H](C)CC[NH+](C)C)OC ZINC000386556225 398213449 /nfs/dbraw/zinc/21/34/49/398213449.db2.gz IBCVDGAEWLZHPV-NWDGAFQWSA-N 2 0 216.369 1.731 20 0 BDADRP CC(C)[N@@H+](C)CC1CCN(C[C@@H](C)[NH3+])CC1 ZINC000649411824 398213608 /nfs/dbraw/zinc/21/36/08/398213608.db2.gz HWZADKRPULUHIY-GFCCVEGCSA-N 2 0 227.396 1.386 20 0 BDADRP [NH3+]CC[C@H]1CCC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000069723944 398213721 /nfs/dbraw/zinc/21/37/21/398213721.db2.gz BKWLRIQURNHCRH-OLZOCXBDSA-N 2 0 226.364 1.474 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCS[C@@H]1C ZINC000647803988 398214576 /nfs/dbraw/zinc/21/45/76/398214576.db2.gz GZZHWQWQBMSZBN-MJDLHHQISA-N 2 0 244.404 1.222 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)C1CCCC1 ZINC000380986106 398215990 /nfs/dbraw/zinc/21/59/90/398215990.db2.gz DDSZMLCCGCIUEA-ZDUSSCGKSA-N 2 0 228.380 1.562 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCc2cn[nH]c2)C1 ZINC000381009208 398218371 /nfs/dbraw/zinc/21/83/71/398218371.db2.gz ROPPZXNOPPVMRA-CMPLNLGQSA-N 2 0 222.336 1.011 20 0 BDADRP Cc1cc(C)n(CC[NH+]2CCC(C[NH3+])CC2)n1 ZINC000386752334 398218874 /nfs/dbraw/zinc/21/88/74/398218874.db2.gz GUNQPRNDARPTTL-UHFFFAOYSA-N 2 0 236.363 1.171 20 0 BDADRP C[N@H+](C[C@H](O)C[NH3+])C[C@H]1CCCC(C)(C)C1 ZINC000576368568 365579839 /nfs/dbraw/zinc/57/98/39/365579839.db2.gz AZUFOLSIVXYRQC-NWDGAFQWSA-N 2 0 228.380 1.454 20 0 BDADRP Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000643512130 398224564 /nfs/dbraw/zinc/22/45/64/398224564.db2.gz QQNZCNVMIWRCMA-NDMJEZRESA-N 2 0 236.363 1.886 20 0 BDADRP Cc1cc(C)n(CC[N@@H+]2CC[C@@](C)(C[NH3+])C2)n1 ZINC000386792054 398220192 /nfs/dbraw/zinc/22/01/92/398220192.db2.gz OLMNVACCDIRANX-ZDUSSCGKSA-N 2 0 236.363 1.171 20 0 BDADRP Cc1noc(C)c1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070169481 398221560 /nfs/dbraw/zinc/22/15/60/398221560.db2.gz UJJNAUUKBRZSSS-LBPRGKRZSA-N 2 0 237.347 1.852 20 0 BDADRP CC[C@H]([NH3+])C(=O)NCCC[NH+]1CCCCCC1 ZINC000430841756 398233036 /nfs/dbraw/zinc/23/30/36/398233036.db2.gz YHRRNHBNFJRSIZ-LBPRGKRZSA-N 2 0 241.379 1.106 20 0 BDADRP C[C@H](c1cccnc1)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252783272 136226878 /nfs/dbraw/zinc/22/68/78/136226878.db2.gz SPJDVLDEMCRTLK-LOWVWBTDSA-N 2 0 219.332 1.812 20 0 BDADRP C[C@@H]1CCCC[C@H]1C[NH2+]CCOCC[NH+](C)C ZINC000349190570 398245497 /nfs/dbraw/zinc/24/54/97/398245497.db2.gz KPSBWUCOOOKEQF-KGLIPLIRSA-N 2 0 242.407 1.981 20 0 BDADRP COC(C)(C)[C@H](C)[NH2+][C@@H]1CCN(CC2CC2)C1 ZINC000645406964 398246148 /nfs/dbraw/zinc/24/61/48/398246148.db2.gz MQRDWELAGXBECP-WCQYABFASA-N 2 0 240.391 1.874 20 0 BDADRP CC[C@H]1CN(Cc2ccon2)CC[C@H]1[NH3+] ZINC000381346699 398253660 /nfs/dbraw/zinc/25/36/60/398253660.db2.gz ZHKVVEMFBDLFAD-GXSJLCMTSA-N 2 0 209.293 1.234 20 0 BDADRP c1n[nH]cc1CC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000381439576 398253739 /nfs/dbraw/zinc/25/37/39/398253739.db2.gz KYJOGJYZJBMBPR-AWEZNQCLSA-N 2 0 248.374 1.416 20 0 BDADRP CCn1cncc1CN1CCC[C@@H]([NH+](C)C)C1 ZINC000417758277 398258976 /nfs/dbraw/zinc/25/89/76/398258976.db2.gz GLNPAKHPCDSSTE-GFCCVEGCSA-N 2 0 236.363 1.429 20 0 BDADRP C[C@@H]1CC[C@@H](O)C[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000647997417 398255328 /nfs/dbraw/zinc/25/53/28/398255328.db2.gz BLKFPIFAXHSUGM-FRRDWIJNSA-N 2 0 226.364 1.221 20 0 BDADRP CN(CC(C)(C)[NH3+])CC1([NH+](C)C)CCC1 ZINC000165285163 361837916 /nfs/dbraw/zinc/83/79/16/361837916.db2.gz OZDJELFPIIGXPK-UHFFFAOYSA-N 2 0 213.369 1.140 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc2c[nH]nc2c1 ZINC000583329756 342696742 /nfs/dbraw/zinc/69/67/42/342696742.db2.gz ANYQKHIJAVRJHR-MFKMUULPSA-N 2 0 244.342 1.875 20 0 BDADRP C[C@]1(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)CC[NH2+]C1 ZINC000126295622 398281116 /nfs/dbraw/zinc/28/11/16/398281116.db2.gz NAWATUIMPMSIED-XQQFMLRXSA-N 2 0 208.349 1.718 20 0 BDADRP CCC(CC)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000020128413 168387351 /nfs/dbraw/zinc/38/73/51/168387351.db2.gz YZOYMAVHKJCYQX-UHFFFAOYSA-N 2 0 227.396 1.402 20 0 BDADRP CC(C)[C@@](C)(O)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000380190410 538986870 /nfs/dbraw/zinc/98/68/70/538986870.db2.gz PTDYMCQMFRWPHE-OCCSQVGLSA-N 2 0 242.407 1.713 20 0 BDADRP COCCCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000044656977 538989790 /nfs/dbraw/zinc/98/97/90/538989790.db2.gz XDHZUIIMXFESED-LBPRGKRZSA-N 2 0 228.380 1.733 20 0 BDADRP C(C[NH2+][C@@H]1CCO[C@@H]1C1CC1)C[NH+]1CCCC1 ZINC000232457235 342835060 /nfs/dbraw/zinc/83/50/60/342835060.db2.gz RKFXHUOZCBERMB-ZIAGYGMSSA-N 2 0 238.375 1.629 20 0 BDADRP CC[C@@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)OC ZINC000381579247 539004353 /nfs/dbraw/zinc/00/43/53/539004353.db2.gz ZPOVJWRYXSUHNA-YPMHNXCESA-N 2 0 228.380 1.731 20 0 BDADRP Cc1n[nH]cc1[C@@H](C)[NH2+]CCCC[NH+](C)C ZINC000381746610 539006657 /nfs/dbraw/zinc/00/66/57/539006657.db2.gz QEDYHUPBUIEGOW-SNVBAGLBSA-N 2 0 224.352 1.711 20 0 BDADRP COCc1ccc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)o1 ZINC000382728482 539010568 /nfs/dbraw/zinc/01/05/68/539010568.db2.gz JQAVULHTZBNCQQ-QWRGUYRKSA-N 2 0 236.315 1.077 20 0 BDADRP Cc1n[nH]cc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000335632694 136241617 /nfs/dbraw/zinc/24/16/17/136241617.db2.gz IONBJLKQMMHLOA-QWHCGFSZSA-N 2 0 248.374 1.540 20 0 BDADRP c1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)n[nH]1 ZINC000335633527 136241676 /nfs/dbraw/zinc/24/16/76/136241676.db2.gz IYFFDWFRSNFCQM-RYUDHWBXSA-N 2 0 234.347 1.231 20 0 BDADRP CC[N@@H+]1CCCN(C[C@H]2CCC[NH+]2C)CC1 ZINC000649505490 398300148 /nfs/dbraw/zinc/30/01/48/398300148.db2.gz MHDKVQYZOJOYCV-CYBMUJFWSA-N 2 0 225.380 1.108 20 0 BDADRP C1CC([NH2+][C@@H]2CCCC[NH2+]C2)CCS1 ZINC000335644859 136243186 /nfs/dbraw/zinc/24/31/86/136243186.db2.gz VUHVXAJIVXELFC-LLVKDONJSA-N 2 0 214.378 1.614 20 0 BDADRP C[N@H+](C[C@H]1CCC[NH2+]C1)[C@@H]1CCSC1 ZINC000037175250 398304707 /nfs/dbraw/zinc/30/47/07/398304707.db2.gz BHQASQCQSITTFV-WDEREUQCSA-N 2 0 214.378 1.423 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1(C)C ZINC000300392918 259326908 /nfs/dbraw/zinc/32/69/08/259326908.db2.gz WCNAWOGZIQSAJG-WHOHXGKFSA-N 2 0 226.364 1.659 20 0 BDADRP Cc1ccncc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000167243791 136245135 /nfs/dbraw/zinc/24/51/35/136245135.db2.gz AEMMCIHIJDJJRO-YPMHNXCESA-N 2 0 219.332 1.607 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C2CCN(CCO)CC2)C1 ZINC000309779314 342895753 /nfs/dbraw/zinc/89/57/53/342895753.db2.gz MMVASZNSTJYOQI-YPMHNXCESA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]C2CCN(CCO)CC2)C1 ZINC000309779311 342895775 /nfs/dbraw/zinc/89/57/75/342895775.db2.gz MMVASZNSTJYOQI-DGCLKSJQSA-N 2 0 226.364 1.221 20 0 BDADRP CC(C)C[C@](C)(C[NH3+])NC(=O)CC[NH2+]C(C)C ZINC000131921673 342908186 /nfs/dbraw/zinc/90/81/86/342908186.db2.gz UOSJXSNLYPSPOT-CYBMUJFWSA-N 2 0 243.395 1.254 20 0 BDADRP Nc1cccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000351482150 136246195 /nfs/dbraw/zinc/24/61/95/136246195.db2.gz ZEYLLXFXAUNSGR-UBHSHLNASA-N 2 0 231.343 1.438 20 0 BDADRP CC[C@H](CSC)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400493559 529415350 /nfs/dbraw/zinc/41/53/50/529415350.db2.gz DAZBXTIJMIMIDN-HBNTYKKESA-N 2 0 216.394 1.858 20 0 BDADRP CC[C@H](C[NH2+][C@H]1CN(C2CC2)C[C@@H]1C)OC ZINC000310000144 398329581 /nfs/dbraw/zinc/32/95/81/398329581.db2.gz DNKROUVBWPMMAV-UHTWSYAYSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@H](C[NH2+]C[C@H]1CCSC1)C[NH+](C)C ZINC000308592419 346886594 /nfs/dbraw/zinc/88/65/94/346886594.db2.gz WGWJWZMIPPTZGD-GHMZBOCLSA-N 2 0 216.394 1.527 20 0 BDADRP C(C1CC1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916578 398335257 /nfs/dbraw/zinc/33/52/57/398335257.db2.gz UEOSLVOQZQCYDK-STQMWFEESA-N 2 0 208.349 1.860 20 0 BDADRP COC[C@H](C)C[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000132710788 398341085 /nfs/dbraw/zinc/34/10/85/398341085.db2.gz IYMZYWGQDXJBIP-UTUOFQBUSA-N 2 0 226.364 1.484 20 0 BDADRP CC(C)(C)CC[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313344725 259333536 /nfs/dbraw/zinc/33/35/36/259333536.db2.gz QFCRRPQUYRPFHN-LLVKDONJSA-N 2 0 214.353 1.472 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccccc2N(C)C)C1 ZINC000351856753 136258054 /nfs/dbraw/zinc/25/80/54/136258054.db2.gz WATJLUKKLBQJAV-STQMWFEESA-N 2 0 247.386 1.922 20 0 BDADRP CCc1cc(NC[C@](C)(O)C[NH+](C)C)cc[nH+]1 ZINC000307786555 529557800 /nfs/dbraw/zinc/55/78/00/529557800.db2.gz PFTPTDBKYDJMOJ-ZDUSSCGKSA-N 2 0 237.347 1.369 20 0 BDADRP CSC1(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000235094714 342977148 /nfs/dbraw/zinc/97/71/48/342977148.db2.gz FNYQQTIQPLKSMP-VHSXEESVSA-N 2 0 214.378 1.742 20 0 BDADRP COC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000602719992 349712541 /nfs/dbraw/zinc/71/25/41/349712541.db2.gz VPZIVCVTHGFNGK-NNYUYHANSA-N 2 0 240.347 1.010 20 0 BDADRP COCCC[N@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211942389 343017400 /nfs/dbraw/zinc/01/74/00/343017400.db2.gz QNGGONWCANOTOQ-UHFFFAOYSA-N 2 0 248.370 1.801 20 0 BDADRP CCC[C@H](CCO)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386485991 343068320 /nfs/dbraw/zinc/06/83/20/343068320.db2.gz SWYAAAPNFIXKBN-MGPQQGTHSA-N 2 0 242.407 1.905 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400456121 529690324 /nfs/dbraw/zinc/69/03/24/529690324.db2.gz SLIDEUBUZWQPLX-WOPDTQHZSA-N 2 0 214.353 1.268 20 0 BDADRP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000093210566 343151307 /nfs/dbraw/zinc/15/13/07/343151307.db2.gz YUCVWQMZSVBDOI-VXGBXAGGSA-N 2 0 235.331 1.450 20 0 BDADRP C[NH+](C)C1(CN[C@@H]2CCC[C@H]([NH3+])C2)CCCC1 ZINC000131963112 343187334 /nfs/dbraw/zinc/18/73/34/343187334.db2.gz JXJUWSPQXANJDK-QWHCGFSZSA-N 2 0 239.407 1.720 20 0 BDADRP COC[C@@H](C)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000132166182 343187521 /nfs/dbraw/zinc/18/75/21/343187521.db2.gz WAJVRPODLXERIL-GXTWGEPZSA-N 2 0 240.391 1.733 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000134826042 343195414 /nfs/dbraw/zinc/19/54/14/343195414.db2.gz VJBXLUJAUVJUQZ-RYUDHWBXSA-N 2 0 212.337 1.226 20 0 BDADRP C[C@H]1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2[NH3+])O1 ZINC000634688021 343245643 /nfs/dbraw/zinc/24/56/43/343245643.db2.gz FUZKZHXYPDVOSE-IRCOFANPSA-N 2 0 212.337 1.413 20 0 BDADRP CC(C)[NH2+]CCC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000131933327 343256830 /nfs/dbraw/zinc/25/68/30/343256830.db2.gz LPGKUYMOZKUZEQ-RYUDHWBXSA-N 2 0 241.379 1.008 20 0 BDADRP c1[nH+]cn2cc(C[NH2+][C@H]3CCSC3)ccc12 ZINC000297579380 136290981 /nfs/dbraw/zinc/29/09/81/136290981.db2.gz RZBXOEYWXHPMFX-NSHDSACASA-N 2 0 233.340 1.929 20 0 BDADRP [NH3+]CCCN1CC[C@H](C[NH3+])c2ccccc21 ZINC000634690093 343272922 /nfs/dbraw/zinc/27/29/22/343272922.db2.gz CPIKGFLXSXKCOV-LLVKDONJSA-N 2 0 219.332 1.288 20 0 BDADRP Cc1nccn1CCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000348750739 136296715 /nfs/dbraw/zinc/29/67/15/136296715.db2.gz PNKWLWTYJHZBCE-MJBXVCDLSA-N 2 0 248.374 1.251 20 0 BDADRP Cc1nccn1CCC[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000348754987 136297925 /nfs/dbraw/zinc/29/79/25/136297925.db2.gz DTPNKGQRFFTKLJ-YPMHNXCESA-N 2 0 236.363 1.251 20 0 BDADRP COc1cccc2c1C[C@H]([NH2+]C1CC[NH2+]CC1)C2 ZINC000335612852 136295469 /nfs/dbraw/zinc/29/54/69/136295469.db2.gz JTCJDXMWFDVKAF-CYBMUJFWSA-N 2 0 246.354 1.504 20 0 BDADRP Cc1n[nH]cc1C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000335613009 136295549 /nfs/dbraw/zinc/29/55/49/136295549.db2.gz QPXORSNGFYMYOC-SKDRFNHKSA-N 2 0 222.336 1.196 20 0 BDADRP Cc1nc(CNC[C@@H]2CC[N@@H+](C3CC3)C2)[nH]c1C ZINC000584064550 343312253 /nfs/dbraw/zinc/31/22/53/343312253.db2.gz GQXISWCXIBTHPR-LBPRGKRZSA-N 2 0 248.374 1.600 20 0 BDADRP CN1CC[N@H+](CCC[NH3+])Cc2ccccc21 ZINC000335629599 136300130 /nfs/dbraw/zinc/30/01/30/136300130.db2.gz YQMQMUDBYGIPKY-UHFFFAOYSA-N 2 0 219.332 1.287 20 0 BDADRP CC[C@@H](COC)[NH2+]CCC[NH+](CC)CC ZINC000070623681 343335781 /nfs/dbraw/zinc/33/57/81/343335781.db2.gz MWTTYYDOYBQEEL-LBPRGKRZSA-N 2 0 216.369 1.733 20 0 BDADRP Cc1nc(C)c(CN[C@H]2CC[NH2+][C@H](C)C2)s1 ZINC000335641596 136308501 /nfs/dbraw/zinc/30/85/01/136308501.db2.gz UFVFNBPLLQAMDR-KCJUWKMLSA-N 2 0 239.388 1.990 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccnn1C ZINC000335694917 136326600 /nfs/dbraw/zinc/32/66/00/136326600.db2.gz IZWZYQAAIFBKRS-YPMHNXCESA-N 2 0 236.363 1.192 20 0 BDADRP CC(C)[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000151760678 343416352 /nfs/dbraw/zinc/41/63/52/343416352.db2.gz PERHFLFBUNDPMC-GFCCVEGCSA-N 2 0 243.395 1.077 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccccn2)[C@@H](C)C1 ZINC000247980713 136373368 /nfs/dbraw/zinc/37/33/68/136373368.db2.gz MPLZFJZKKGQBPV-DZGCQCFKSA-N 2 0 247.386 1.944 20 0 BDADRP COc1cccc(C[NH2+]C[C@H](C)C[NH3+])c1 ZINC000258740089 136373761 /nfs/dbraw/zinc/37/37/61/136373761.db2.gz KYNDIUYOJOLZLJ-SNVBAGLBSA-N 2 0 208.305 1.380 20 0 BDADRP CC[NH+]1CCC(C[NH2+]Cc2cnn(C)c2)CC1 ZINC000044517652 343505858 /nfs/dbraw/zinc/50/58/58/343505858.db2.gz HFNYFWAVGUHJEK-UHFFFAOYSA-N 2 0 236.363 1.242 20 0 BDADRP Cc1ccc([C@@H](C)[NH2+]CCN2CC[C@@H](O)C2)cc1 ZINC000624226232 343514946 /nfs/dbraw/zinc/51/49/46/343514946.db2.gz NVOAKOKVDMCFAP-UKRRQHHQSA-N 2 0 248.370 1.712 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000310533192 343527910 /nfs/dbraw/zinc/52/79/10/343527910.db2.gz ONNNGKYBOGMUMO-AAVRWANBSA-N 2 0 242.407 1.713 20 0 BDADRP C[N@H+](CCC[NH+]1CCCC1)CC(C)(C)O ZINC000086274666 343616772 /nfs/dbraw/zinc/61/67/72/343616772.db2.gz QICBRFIMYOXNPJ-UHFFFAOYSA-N 2 0 214.353 1.175 20 0 BDADRP C[C@@H]([NH2+]CC1(O)CCC1)C1=CC[N@H+](C)CC1 ZINC000577056846 365796728 /nfs/dbraw/zinc/79/67/28/365796728.db2.gz XTGWWIVUPXUYBS-LLVKDONJSA-N 2 0 224.348 1.141 20 0 BDADRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]CC2=CCCOC2)C1 ZINC000127733695 343745967 /nfs/dbraw/zinc/74/59/67/343745967.db2.gz IPFJNZMBHLSTHB-KGLIPLIRSA-N 2 0 238.375 1.796 20 0 BDADRP CC[NH2+]CCCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000576506723 343751642 /nfs/dbraw/zinc/75/16/42/343751642.db2.gz DNNKIRQEKLBKEF-BFHYXJOUSA-N 2 0 239.407 1.448 20 0 BDADRP CC[C@@H]([NH3+])CNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000576636138 343754828 /nfs/dbraw/zinc/75/48/28/343754828.db2.gz PMOMFCLLIDIDFC-VXGBXAGGSA-N 2 0 241.379 1.104 20 0 BDADRP c1cncc([C@@H]2CCC[N@@H+]2C2CC[NH2+]CC2)c1 ZINC000093224274 343785067 /nfs/dbraw/zinc/78/50/67/343785067.db2.gz KZFZKZBTLDRSOP-AWEZNQCLSA-N 2 0 231.343 1.971 20 0 BDADRP Cc1ncncc1[C@H](C)[NH2+]CCCC[NH+](C)C ZINC000582132523 346992667 /nfs/dbraw/zinc/99/26/67/346992667.db2.gz PCPUZOVBYHLAOF-NSHDSACASA-N 2 0 236.363 1.777 20 0 BDADRP Cc1ccc(C[NH2+]C[C@H]2CC[NH2+]C2)s1 ZINC000062117130 178614307 /nfs/dbraw/zinc/61/43/07/178614307.db2.gz FJTNFRJXVJRRHW-JTQLQIEISA-N 2 0 210.346 1.756 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CC2(CCO)CCCC2)C1 ZINC000570649963 323066077 /nfs/dbraw/zinc/06/60/77/323066077.db2.gz NPRIAOCWJDODMP-QWHCGFSZSA-N 2 0 240.391 1.789 20 0 BDADRP Cc1ccc(C[NH2+]CC2(O)CC[NH+](C)CC2)o1 ZINC000077450520 344072504 /nfs/dbraw/zinc/07/25/04/344072504.db2.gz QYXAXAGJIQSPEI-UHFFFAOYSA-N 2 0 238.331 1.134 20 0 BDADRP CCOC[C@@H](C)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732288 344106788 /nfs/dbraw/zinc/10/67/88/344106788.db2.gz CFCRNJQRPVZLGE-VXGBXAGGSA-N 2 0 228.380 1.779 20 0 BDADRP CC[C@@H]([NH3+])C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000130560083 344148070 /nfs/dbraw/zinc/14/80/70/344148070.db2.gz PLMADMFFPHWGDA-NWDGAFQWSA-N 2 0 241.379 1.057 20 0 BDADRP CCN(C)C[C@@H](O)C[N@H+]([C@H](C)C1CC1)C1CC1 ZINC000570737117 323068891 /nfs/dbraw/zinc/06/88/91/323068891.db2.gz RFJULMHJLOHSNZ-BXUZGUMPSA-N 2 0 240.391 1.562 20 0 BDADRP CCC(CC)C[NH2+]C[C@H]1CNCCO1 ZINC000130415557 344220258 /nfs/dbraw/zinc/22/02/58/344220258.db2.gz QGAAHGCQQRSPQK-LLVKDONJSA-N 2 0 200.326 1.001 20 0 BDADRP CC[NH+](CC)CCCN[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000131423757 344231161 /nfs/dbraw/zinc/23/11/61/344231161.db2.gz OAPNRKWKLKWDAX-KBPBESRZSA-N 2 0 241.423 1.648 20 0 BDADRP C[C@H]([NH3+])CCC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634761594 344252075 /nfs/dbraw/zinc/25/20/75/344252075.db2.gz FJUZHSUZSYLYRM-QWRGUYRKSA-N 2 0 241.379 1.008 20 0 BDADRP CCC[C@H](O)C[NH2+]C1CC[NH+](CC)CC1 ZINC000133607325 344320114 /nfs/dbraw/zinc/32/01/14/344320114.db2.gz AZJMEAYALJDTOV-LBPRGKRZSA-N 2 0 214.353 1.221 20 0 BDADRP CC(C)SCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000380533954 344418896 /nfs/dbraw/zinc/41/88/96/344418896.db2.gz FEVZGIQGDLAOHN-GFCCVEGCSA-N 2 0 246.420 1.174 20 0 BDADRP Cc1ccc(CC[NH2+][C@H]2CN(C)C[C@H]2C)o1 ZINC000381271194 344487699 /nfs/dbraw/zinc/48/76/99/344487699.db2.gz VPUZHQUTTHAYPK-MFKMUULPSA-N 2 0 222.332 1.670 20 0 BDADRP CC[NH+](CC)CCCN[C@@H]1CCC[NH2+]C1 ZINC000043324253 344488031 /nfs/dbraw/zinc/48/80/31/344488031.db2.gz SOETYFLPBZDJDQ-GFCCVEGCSA-N 2 0 213.369 1.060 20 0 BDADRP CN(C)c1nccc(N[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000085431559 344532037 /nfs/dbraw/zinc/53/20/37/344532037.db2.gz CFJKRGRZTCGQLH-JTQLQIEISA-N 2 0 247.346 1.191 20 0 BDADRP COC(=O)CCC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152449792 344568427 /nfs/dbraw/zinc/56/84/27/344568427.db2.gz SAEBZPZWYBKAIS-LBPRGKRZSA-N 2 0 242.363 1.213 20 0 BDADRP COc1ccc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)cn1 ZINC000158323172 344596859 /nfs/dbraw/zinc/59/68/59/344596859.db2.gz LHBQRDROSBITGO-GFCCVEGCSA-N 2 0 249.358 1.651 20 0 BDADRP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)CC)[C@H]1CC1(C)C ZINC000574288784 344732209 /nfs/dbraw/zinc/73/22/09/344732209.db2.gz UDHOXMHPJQYZFP-UPJWGTAASA-N 2 0 242.407 1.713 20 0 BDADRP CC[N@H+](CCO)CC[C@H]1CCCC[NH+]1C ZINC000049754618 344687978 /nfs/dbraw/zinc/68/79/78/344687978.db2.gz FKQVRLQBOKXBES-GFCCVEGCSA-N 2 0 214.353 1.175 20 0 BDADRP C[NH+]1CCC(CC[NH2+]CC[C@@H]2CCOC2)CC1 ZINC000400514073 530049051 /nfs/dbraw/zinc/04/90/51/530049051.db2.gz AQOSEUVMIQGJKC-CQSZACIVSA-N 2 0 240.391 1.735 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCC[C@]1(C)CO ZINC000493535104 530056824 /nfs/dbraw/zinc/05/68/24/530056824.db2.gz YZQSQNYVZDASFK-MGPQQGTHSA-N 2 0 240.391 1.611 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(C)(C)O)[C@H](C)C1 ZINC000079462630 344976595 /nfs/dbraw/zinc/97/65/95/344976595.db2.gz COWUYRKVGNKKMN-CHWSQXEVSA-N 2 0 242.407 1.810 20 0 BDADRP CC[NH2+]CCC[NH2+][C@@H]1CCC[C@H]1CCOC ZINC000579342114 344951264 /nfs/dbraw/zinc/95/12/64/344951264.db2.gz YEKOBDYDZQHCNR-QWHCGFSZSA-N 2 0 228.380 1.781 20 0 BDADRP Cc1ccc(CN2CC[C@@H](C[NH+](C)C)C2)cn1 ZINC000153898217 344995700 /nfs/dbraw/zinc/99/57/00/344995700.db2.gz OVIWIXAWNNPWHD-AWEZNQCLSA-N 2 0 233.359 1.774 20 0 BDADRP C[C@H](CC[NH+](C)C)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156065314 345122674 /nfs/dbraw/zinc/12/26/74/345122674.db2.gz DOOALPWVSSBPNZ-HZSPNIEDSA-N 2 0 239.407 1.543 20 0 BDADRP CC[NH+](CC)[C@H]1CCN(CC23CC(C2)C[NH2+]3)C1 ZINC000634991533 345177824 /nfs/dbraw/zinc/17/78/24/345177824.db2.gz IDIIRIMHQGQUTB-MOKVOYLWSA-N 2 0 237.391 1.155 20 0 BDADRP CC(C)[C@H](C[NH3+])C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000634991597 345178293 /nfs/dbraw/zinc/17/82/93/345178293.db2.gz KHRBBZXVFYFJDK-REWJHTLYSA-N 3 0 239.407 1.277 20 0 BDADRP C[N@@H+]1CCC[C@H]2CN(CC34CC(C3)C[NH2+]4)CC[C@H]21 ZINC000634993482 345190623 /nfs/dbraw/zinc/19/06/23/345190623.db2.gz WBBRXVGBVHKRLH-RAFNIBEQSA-N 2 0 249.402 1.155 20 0 BDADRP CC[N@H+](CCN[C@H]1CC[NH+](C)[C@H](C)C1)C(C)C ZINC000156572788 345181263 /nfs/dbraw/zinc/18/12/63/345181263.db2.gz BMGOUZFZERTTDL-KGLIPLIRSA-N 2 0 241.423 1.789 20 0 BDADRP CC(C)[C@@H](C[NH3+])CNCC1([NH3+])CCCCC1 ZINC000634994516 345182042 /nfs/dbraw/zinc/18/20/42/345182042.db2.gz GJAYRVLCLCTLKV-LBPRGKRZSA-N 2 0 227.396 1.469 20 0 BDADRP C([N@@H+]1CCC[C@H]2COCC[C@H]21)C12CC(C1)C[NH2+]2 ZINC000634994789 345182380 /nfs/dbraw/zinc/18/23/80/345182380.db2.gz MSLIWDIFYUGIRE-YIFLHPOLSA-N 2 0 236.359 1.239 20 0 BDADRP C([NH2+][C@H]1CCC[C@H]2OCC[C@H]21)C12CC(C1)C[NH2+]2 ZINC000634995514 345185294 /nfs/dbraw/zinc/18/52/94/345185294.db2.gz HDHBMELYFBHVOD-VWGAPNJBSA-N 2 0 236.359 1.286 20 0 BDADRP CC(C)[C@H](C[NH3+])CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000634995962 345186088 /nfs/dbraw/zinc/18/60/88/345186088.db2.gz VBTGIQHKOPNEIT-GRYCIOLGSA-N 2 0 213.369 1.077 20 0 BDADRP CC(C)[C@H](C[NH3+])CN[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000634995883 345186171 /nfs/dbraw/zinc/18/61/71/345186171.db2.gz RTUXTBNTRHENRQ-OLZOCXBDSA-N 2 0 239.407 1.482 20 0 BDADRP CC(C)[C@H](C[NH3+])CN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000634996663 345191408 /nfs/dbraw/zinc/19/14/08/345191408.db2.gz QHRQMASDEAWYNQ-UPJWGTAASA-N 2 0 227.396 1.134 20 0 BDADRP C[NH+](C)CC1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634993915 345191909 /nfs/dbraw/zinc/19/19/09/345191909.db2.gz JVXDSGUMUVITCC-UHFFFAOYSA-N 2 0 237.391 1.012 20 0 BDADRP CC(C)[C@@H](C[NH3+])CN1CCCc2n[nH]cc2C1 ZINC000634997048 345193871 /nfs/dbraw/zinc/19/38/71/345193871.db2.gz BQYQPFLMNWUMCI-NSHDSACASA-N 2 0 236.363 1.389 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCCCC[C@@H](N)C2)CC[NH2+]1 ZINC000634997207 345194805 /nfs/dbraw/zinc/19/48/05/345194805.db2.gz GDRBQMWEBXMWES-HZSPNIEDSA-N 3 0 239.407 1.578 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000635003198 345205334 /nfs/dbraw/zinc/20/53/34/345205334.db2.gz GXPXBIWETGRZRY-YNEHKIRRSA-N 2 0 228.380 1.645 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCCC12CC2 ZINC000635003424 345206487 /nfs/dbraw/zinc/20/64/87/345206487.db2.gz JNTGRGLTHSJBLU-NEPJUHHUSA-N 2 0 226.364 1.663 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000635003697 345207084 /nfs/dbraw/zinc/20/70/84/345207084.db2.gz KJSNZCBWCIZNFW-VWYCJHECSA-N 2 0 200.326 1.007 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000635004969 345209055 /nfs/dbraw/zinc/20/90/55/345209055.db2.gz RRPZYXIZRMQRQK-REWJHTLYSA-N 2 0 240.391 1.515 20 0 BDADRP CC[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CCC[NH2+]1 ZINC000635006892 345211385 /nfs/dbraw/zinc/21/13/85/345211385.db2.gz UIIUXWQEFJJXLK-SYQHCUMBSA-N 3 0 239.407 1.624 20 0 BDADRP [NH3+][C@@H](CC[NH2+]C1CCOCC1)Cc1ccccc1 ZINC000635010130 345212073 /nfs/dbraw/zinc/21/20/73/345212073.db2.gz YOFXFUHQQDRXBB-AWEZNQCLSA-N 2 0 248.370 1.715 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000635012392 345214162 /nfs/dbraw/zinc/21/41/62/345214162.db2.gz MFNDZSVKSLWZRV-SGIHWFKDSA-N 2 0 236.281 1.915 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CCO1 ZINC000635012155 345214456 /nfs/dbraw/zinc/21/44/56/345214456.db2.gz REYHKMDFHOAOFN-FRRDWIJNSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)[C@@H](C)O1 ZINC000635007776 345215168 /nfs/dbraw/zinc/21/51/68/345215168.db2.gz XUQYJLJDFZSVTG-SYLRKERUSA-N 2 0 226.364 1.659 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)C1CCOCC1 ZINC000635008213 345216232 /nfs/dbraw/zinc/21/62/32/345216232.db2.gz SAPBKIDEBYQCKF-YRGRVCCFSA-N 2 0 240.391 1.909 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635008810 345216403 /nfs/dbraw/zinc/21/64/03/345216403.db2.gz VPNYAGBXHQBDRA-USZNOCQGSA-N 2 0 214.353 1.517 20 0 BDADRP CO[C@@H](C)[C@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635008798 345216500 /nfs/dbraw/zinc/21/65/00/345216500.db2.gz VPNYAGBXHQBDRA-BJDJZHNGSA-N 2 0 214.353 1.517 20 0 BDADRP C[C@@H](NCC[C@@H]([NH3+])Cc1ccccc1)C1C[NH2+]C1 ZINC000635008643 345216913 /nfs/dbraw/zinc/21/69/13/345216913.db2.gz RZFAPLBEBBIFRR-IUODEOHRSA-N 2 0 247.386 1.144 20 0 BDADRP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CCS1 ZINC000158586987 345353010 /nfs/dbraw/zinc/35/30/10/345353010.db2.gz MRNQIJPBLXSYQZ-SNVBAGLBSA-N 2 0 214.378 1.423 20 0 BDADRP CC[NH+]1CCC([NH2+]CCSC)CC1 ZINC000070184140 345454197 /nfs/dbraw/zinc/45/41/97/345454197.db2.gz AYGHTCXELBSHHG-UHFFFAOYSA-N 2 0 202.367 1.423 20 0 BDADRP Cc1cc(C)cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000107574350 345538081 /nfs/dbraw/zinc/53/80/81/345538081.db2.gz JLMGPZNSHQDMJR-GJZGRUSLSA-N 2 0 230.355 1.955 20 0 BDADRP COCCC1(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000090535650 345573305 /nfs/dbraw/zinc/57/33/05/345573305.db2.gz VIOAAUAVDCSPGD-STQMWFEESA-N 2 0 240.391 1.733 20 0 BDADRP CC[C@H](C)C[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000093074809 345656175 /nfs/dbraw/zinc/65/61/75/345656175.db2.gz JWVBLSZZWSIOFU-GXTWGEPZSA-N 2 0 242.407 1.715 20 0 BDADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2cccnc2)C1 ZINC000221395363 345747558 /nfs/dbraw/zinc/74/75/58/345747558.db2.gz UHUCFTHIFWNQHM-YPMHNXCESA-N 2 0 219.332 1.689 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000145211579 345710469 /nfs/dbraw/zinc/71/04/69/345710469.db2.gz XQIHHAQJBDEVHF-AWEZNQCLSA-N 2 0 239.407 1.495 20 0 BDADRP OC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000159979632 345768256 /nfs/dbraw/zinc/76/82/56/345768256.db2.gz KIQNOLREJAFVAF-VXGBXAGGSA-N 2 0 224.348 1.118 20 0 BDADRP CCOCCN1CCC[C@H]([NH2+]C(C)C)C1 ZINC000070584266 345788794 /nfs/dbraw/zinc/78/87/94/345788794.db2.gz SIBQVLXWWBKHJC-LBPRGKRZSA-N 2 0 214.353 1.485 20 0 BDADRP Cc1cc(N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)cc[nH+]1 ZINC000418991986 192091497 /nfs/dbraw/zinc/09/14/97/192091497.db2.gz FJZZYBHQENVMTH-QWHCGFSZSA-N 2 0 249.358 1.281 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+][C@H](CO)c2ccccc2)C1 ZINC000093216057 345857938 /nfs/dbraw/zinc/85/79/38/345857938.db2.gz RNWAUZMOAOMUHV-BFHYXJOUSA-N 2 0 234.343 1.580 20 0 BDADRP CSCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400941378 345932224 /nfs/dbraw/zinc/93/22/24/345932224.db2.gz SOQLCROKLDEOQN-HBNTYKKESA-N 2 0 214.378 1.327 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+]CCOCC[NH+](C)C)C1 ZINC000234839428 537931036 /nfs/dbraw/zinc/93/10/36/537931036.db2.gz ZKHYSUYSCUDEHC-CHWSQXEVSA-N 2 0 244.379 1.112 20 0 BDADRP OCCC1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000401050704 346085091 /nfs/dbraw/zinc/08/50/91/346085091.db2.gz XZLVDRQPOYFHSC-AWEZNQCLSA-N 2 0 240.391 1.471 20 0 BDADRP CC(C)[C@H]([NH3+])C(=O)Nc1ccc(C[NH3+])cc1 ZINC000169813691 346165532 /nfs/dbraw/zinc/16/55/32/346165532.db2.gz TYPBDHOHHKHFLP-NSHDSACASA-N 2 0 221.304 1.067 20 0 BDADRP Cc1ncc(C[NH2+]CC2(C)CC[NH+](C)CC2)o1 ZINC000628235774 346189676 /nfs/dbraw/zinc/18/96/76/346189676.db2.gz BNABVZBLFLEHSI-UHFFFAOYSA-N 2 0 237.347 1.805 20 0 BDADRP C[N@H+]1CC=C(C[NH2+]Cc2ccncc2N)CC1 ZINC000641745970 362667295 /nfs/dbraw/zinc/66/72/95/362667295.db2.gz JBOSWFRYPYFFDQ-UHFFFAOYSA-N 2 0 232.331 1.015 20 0 BDADRP C[C@]1(C[N@@H+]2CCn3cncc3C2)CCCS1 ZINC000628285677 346296753 /nfs/dbraw/zinc/29/67/53/346296753.db2.gz CKOQWVJCUHHMFB-GFCCVEGCSA-N 2 0 237.372 1.984 20 0 BDADRP COC(=O)CCCC[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000603427657 349950136 /nfs/dbraw/zinc/95/01/36/349950136.db2.gz COJSOLXVRHBKQX-ZJUUUORDSA-N 2 0 228.336 1.045 20 0 BDADRP Cc1cc(C[NH+]2CCC(CC[NH3+])CC2)on1 ZINC000069729939 349954010 /nfs/dbraw/zinc/95/40/10/349954010.db2.gz MLMDRPSWMAHVRS-UHFFFAOYSA-N 2 0 223.320 1.544 20 0 BDADRP CC[NH+](CC)CC[C@H](CO)[NH2+][C@H]1CCC[C@H]1C ZINC000641771356 362710123 /nfs/dbraw/zinc/71/01/23/362710123.db2.gz GGDNBRYKUJATSM-MCIONIFRSA-N 2 0 242.407 1.857 20 0 BDADRP CC[NH+](CC)CC[C@H](CO)[NH2+][C@@H]1CCC[C@@H]1C ZINC000641771355 362710320 /nfs/dbraw/zinc/71/03/20/362710320.db2.gz GGDNBRYKUJATSM-BFHYXJOUSA-N 2 0 242.407 1.857 20 0 BDADRP CC[NH+](CC)CCCSCC[NH2+]C ZINC000574914861 346412109 /nfs/dbraw/zinc/41/21/09/346412109.db2.gz NPKLFAJVAJPKCH-UHFFFAOYSA-N 2 0 204.383 1.671 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CCO1 ZINC000300369221 346433084 /nfs/dbraw/zinc/43/30/84/346433084.db2.gz CCKIGEUUJNGVEG-WISYIIOYSA-N 2 0 212.337 1.413 20 0 BDADRP C[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)[N@H+](C)C1CC1 ZINC000300369672 346433511 /nfs/dbraw/zinc/43/35/11/346433511.db2.gz ZRUHHLMXGSBVML-GRYCIOLGSA-N 2 0 225.380 1.329 20 0 BDADRP Cc1cccc(C[NH2+][C@@H]2CCN(C)C2)c1 ZINC000042543839 179098178 /nfs/dbraw/zinc/09/81/78/179098178.db2.gz PAQJSRGJBHGEPU-CYBMUJFWSA-N 2 0 204.317 1.789 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCc2cncn2C)C1 ZINC000641797255 362743352 /nfs/dbraw/zinc/74/33/52/362743352.db2.gz ZMKOBKFDTWVPOF-NEPJUHHUSA-N 2 0 236.363 1.022 20 0 BDADRP Cn1cncc1CC[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000641799518 362748423 /nfs/dbraw/zinc/74/84/23/362748423.db2.gz QTDMCLWFQCTBTN-GFCCVEGCSA-N 2 0 236.363 1.023 20 0 BDADRP [NH3+]C1(C[NH2+]C[C@H]2CCC3(CCCC3)O2)CCC1 ZINC000641799787 362749972 /nfs/dbraw/zinc/74/99/72/362749972.db2.gz ZLPOXAMBZLAQCS-GFCCVEGCSA-N 2 0 238.375 1.949 20 0 BDADRP Cn1cncc1CC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000641797965 362738727 /nfs/dbraw/zinc/73/87/27/362738727.db2.gz BCBQHSBRVPVGEZ-AWEZNQCLSA-N 3 0 248.374 1.038 20 0 BDADRP Cc1nc(CNCC[N@@H+](C)C(C)C)[nH]c1C ZINC000563438551 323125642 /nfs/dbraw/zinc/12/56/42/323125642.db2.gz FFKSHUFFMKOVLT-UHFFFAOYSA-N 2 0 224.352 1.456 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccc(O)c1 ZINC000580074965 346510893 /nfs/dbraw/zinc/51/08/93/346510893.db2.gz PMGNTHMVLSLZSZ-VHSXEESVSA-N 2 0 208.305 1.608 20 0 BDADRP CCc1nocc1CN[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641800441 362751758 /nfs/dbraw/zinc/75/17/58/362751758.db2.gz BJPITHNPVXUEOM-WDEREUQCSA-N 2 0 223.320 1.452 20 0 BDADRP CCn1nccc1CC[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641800783 362753676 /nfs/dbraw/zinc/75/36/76/362753676.db2.gz FWJVJBDWMOMYKP-VXGBXAGGSA-N 2 0 236.363 1.161 20 0 BDADRP CO[C@H](C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C)C1CCCC1 ZINC000641801319 362755005 /nfs/dbraw/zinc/75/50/05/362755005.db2.gz PUQORTUUBMSLCU-AGIUHOORSA-N 2 0 240.391 1.907 20 0 BDADRP CCn1cc(CC[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)cn1 ZINC000641801315 362755630 /nfs/dbraw/zinc/75/56/30/362755630.db2.gz PQZVGLVRMRXJMZ-NEPJUHHUSA-N 2 0 236.363 1.161 20 0 BDADRP CCn1ccnc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070170793 349967223 /nfs/dbraw/zinc/96/72/23/349967223.db2.gz RPKYZKUUKVDACI-LBPRGKRZSA-N 2 0 236.363 1.464 20 0 BDADRP CC1(C)[C@H]([NH2+]CCCCCF)C[C@@H]1[NH3+] ZINC000641802438 362760459 /nfs/dbraw/zinc/76/04/59/362760459.db2.gz KWJXUWOVOIVOCF-VHSXEESVSA-N 2 0 202.317 1.842 20 0 BDADRP C[NH2+]CCCN1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000641809818 362765828 /nfs/dbraw/zinc/76/58/28/362765828.db2.gz SEKJFCIBEFHBRL-SRVKXCTJSA-N 2 0 213.369 1.044 20 0 BDADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000580212295 346687329 /nfs/dbraw/zinc/68/73/29/346687329.db2.gz GEEDKHMJGGYPRK-LPWJVIDDSA-N 2 0 226.364 1.802 20 0 BDADRP CC[NH+]1CCC([NH2+]CCc2cn[nH]c2)CC1 ZINC000289877619 347109499 /nfs/dbraw/zinc/10/94/99/347109499.db2.gz RWJNVWIZQZQCDH-UHFFFAOYSA-N 2 0 222.336 1.026 20 0 BDADRP Cc1cccc(OCC[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000042896931 179165588 /nfs/dbraw/zinc/16/55/88/179165588.db2.gz HZWVEZZJQQWAOQ-CYBMUJFWSA-N 2 0 234.343 1.654 20 0 BDADRP Cc1n[nH]cc1CN1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622004802 370655563 /nfs/dbraw/zinc/65/55/63/370655563.db2.gz VFKKNYCAEYKEBW-NEPJUHHUSA-N 2 0 220.320 1.031 20 0 BDADRP CC[NH+]1CCC(N[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000309664254 347130880 /nfs/dbraw/zinc/13/08/80/347130880.db2.gz SOMWBKSAYYXFIE-AAEUAGOBSA-N 2 0 225.380 1.010 20 0 BDADRP CO[C@@H]([C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])C1CC1 ZINC000388230109 347251282 /nfs/dbraw/zinc/25/12/82/347251282.db2.gz MAGZZGRSRLITPY-LOWVWBTDSA-N 2 0 228.380 1.907 20 0 BDADRP COC(=O)CCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601334123 347226233 /nfs/dbraw/zinc/22/62/33/347226233.db2.gz IRQAYZHJKYWRBA-NWDGAFQWSA-N 2 0 240.347 1.014 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(C(C)C)CC1 ZINC000310336477 347266329 /nfs/dbraw/zinc/26/63/29/347266329.db2.gz CTUDUULIBZDTSY-AWEZNQCLSA-N 2 0 242.407 1.667 20 0 BDADRP CC[C@@H]1CCCC[N@@H+]1C[C@@H](O)CN(C)C1CC1 ZINC000310331598 347266358 /nfs/dbraw/zinc/26/63/58/347266358.db2.gz KEBUNFJGQSXZFA-OCCSQVGLSA-N 2 0 240.391 1.706 20 0 BDADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@H]1CCCC[C@@H]1O ZINC000382384086 347302241 /nfs/dbraw/zinc/30/22/41/347302241.db2.gz KWUKGRHOVGOBNB-RDBSUJKOSA-N 2 0 240.391 1.741 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCCO2)CC1(C)C ZINC000251114443 362838202 /nfs/dbraw/zinc/83/82/02/362838202.db2.gz CWIZESWBRKHWBX-VXGBXAGGSA-N 2 0 226.364 1.628 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H](C)COC)CC1 ZINC000053197128 347438487 /nfs/dbraw/zinc/43/84/87/347438487.db2.gz HWNVGBOLENPGAA-NSHDSACASA-N 2 0 214.353 1.343 20 0 BDADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCOC(C)(C)C2)CC1 ZINC000392254312 347513885 /nfs/dbraw/zinc/51/38/85/347513885.db2.gz WIXGFFHZORVQTG-CYBMUJFWSA-N 2 0 238.375 1.796 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH+]2CCC(CC[NH3+])CC2)O1 ZINC000149768257 347514167 /nfs/dbraw/zinc/51/41/67/347514167.db2.gz GVVHWVVORQGELP-YPMHNXCESA-N 2 0 226.364 1.615 20 0 BDADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCOC(C)(C)C2)CC1 ZINC000392254315 347514169 /nfs/dbraw/zinc/51/41/69/347514169.db2.gz WIXGFFHZORVQTG-ZDUSSCGKSA-N 2 0 238.375 1.796 20 0 BDADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)C[C@H]1CC[C@@H](C)O1 ZINC000149793405 347521788 /nfs/dbraw/zinc/52/17/88/347521788.db2.gz QHFGHUGEYDOZRJ-UPJWGTAASA-N 2 0 228.380 1.859 20 0 BDADRP C[N@H+](CCCC[NH2+][C@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000577231802 365893310 /nfs/dbraw/zinc/89/33/10/365893310.db2.gz RCVBLLSWSCTAOV-STQMWFEESA-N 3 0 239.407 1.720 20 0 BDADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H](C)[NH3+])C[C@@H]1C ZINC000591581325 347677376 /nfs/dbraw/zinc/67/73/76/347677376.db2.gz QCJIRTBDXGLWCS-FIQHERPVSA-N 2 0 242.363 1.291 20 0 BDADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H](C)[NH3+])C[C@H]1C ZINC000591581328 347677514 /nfs/dbraw/zinc/67/75/14/347677514.db2.gz QCJIRTBDXGLWCS-WISYIIOYSA-N 2 0 242.363 1.291 20 0 BDADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H](C)[NH3+])C[C@H]1C ZINC000591581326 347677519 /nfs/dbraw/zinc/67/75/19/347677519.db2.gz QCJIRTBDXGLWCS-NOOOWODRSA-N 2 0 242.363 1.291 20 0 BDADRP C1=C(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)COCC1 ZINC000176828700 365909135 /nfs/dbraw/zinc/90/91/35/365909135.db2.gz NEQBUNGWYHEYRY-GFCCVEGCSA-N 2 0 236.359 1.407 20 0 BDADRP CC[NH+]1CCC(N(C)C(=O)CCCC[NH3+])CC1 ZINC000070201675 349976334 /nfs/dbraw/zinc/97/63/34/349976334.db2.gz NEOMKVWDIABANB-UHFFFAOYSA-N 2 0 241.379 1.058 20 0 BDADRP COC(=O)C1CCC([NH2+][C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000592438862 347779273 /nfs/dbraw/zinc/77/92/73/347779273.db2.gz QTDMUQFLIOOAAG-QYNFOATHSA-N 2 0 242.363 1.434 20 0 BDADRP C[NH2+]C[C@](C)(O)CN1CCc2sccc2C1 ZINC000577287139 365917641 /nfs/dbraw/zinc/91/76/41/365917641.db2.gz XPNNSHFXFKWWLP-LBPRGKRZSA-N 2 0 240.372 1.077 20 0 BDADRP CC[C@@H](C)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000054471068 348022489 /nfs/dbraw/zinc/02/24/89/348022489.db2.gz LMYNKHGLVFFRSN-VXGBXAGGSA-N 2 0 214.353 1.079 20 0 BDADRP C[C@H](CSCCF)[NH2+]CCC[NH+](C)C ZINC000595006415 348157912 /nfs/dbraw/zinc/15/79/12/348157912.db2.gz JQNGUXVVTSWNQL-SNVBAGLBSA-N 2 0 222.373 1.619 20 0 BDADRP CCC[N@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000669381992 538002238 /nfs/dbraw/zinc/00/22/38/538002238.db2.gz CWZOHZYLUMYOSC-NEPJUHHUSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H]1CC[C@@H](C[N@@H+]2CCCC[C@H]2CC[NH3+])O1 ZINC000251604751 362889033 /nfs/dbraw/zinc/88/90/33/362889033.db2.gz CUSAWALKDKAXSJ-AGIUHOORSA-N 2 0 226.364 1.757 20 0 BDADRP CC(C)OCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623491356 362915565 /nfs/dbraw/zinc/91/55/65/362915565.db2.gz QYDUMFDGFROAFG-GFCCVEGCSA-N 2 0 228.380 1.874 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](O)C2(C)C)CC1(C)C ZINC000623497130 362920659 /nfs/dbraw/zinc/92/06/59/362920659.db2.gz YEHJCAWXROBTPW-SRVKXCTJSA-N 2 0 240.391 1.608 20 0 BDADRP CC[NH+](CC)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000669382522 538003212 /nfs/dbraw/zinc/00/32/12/538003212.db2.gz MDNSJJROFQFWNT-RYUDHWBXSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H](Cc1ccc(O)cc1)[N@H+](C)CCC[NH3+] ZINC000122925770 490184351 /nfs/dbraw/zinc/18/43/51/490184351.db2.gz XATOUXIMCOFGFF-NSHDSACASA-N 2 0 222.332 1.604 20 0 BDADRP Cc1ncc(C[NH2+][C@@H](CCO)C(C)(C)C)n1C ZINC000597084855 348656123 /nfs/dbraw/zinc/65/61/23/348656123.db2.gz YRJFIILVHSENPP-LBPRGKRZSA-N 2 0 239.363 1.615 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+]CCC[NH+](C)C)C1 ZINC000069847042 490190250 /nfs/dbraw/zinc/19/02/50/490190250.db2.gz PHDNQOFYJAQKLQ-VXGBXAGGSA-N 2 0 214.353 1.485 20 0 BDADRP C[C@@H]1COCC[C@H]1[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623507568 362931490 /nfs/dbraw/zinc/93/14/90/362931490.db2.gz QPTDUJDPJINFLC-JHJVBQTASA-N 2 0 240.391 1.874 20 0 BDADRP CCOC[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000054243742 323203488 /nfs/dbraw/zinc/20/34/88/323203488.db2.gz UDTXPWJCQGCZNA-NWDGAFQWSA-N 2 0 214.353 1.343 20 0 BDADRP C[C@H]1CN(Cc2ccsc2)CC[C@H]1[NH3+] ZINC000251844781 362936633 /nfs/dbraw/zinc/93/66/33/362936633.db2.gz QVXZTAKFVFRTKU-GXSJLCMTSA-N 2 0 210.346 1.917 20 0 BDADRP Cc1cc(C[N@H+](C)CC2CC[NH+](C)CC2)on1 ZINC000599442154 349178451 /nfs/dbraw/zinc/17/84/51/349178451.db2.gz WPBZQFSUCBSFDA-UHFFFAOYSA-N 2 0 237.347 1.757 20 0 BDADRP CC[C@@H](O)C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000421848579 192393568 /nfs/dbraw/zinc/39/35/68/192393568.db2.gz ARSGTCSDLFHMGB-CQSZACIVSA-N 2 0 240.391 1.754 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H]2CCSC2)C1 ZINC000250521230 349175112 /nfs/dbraw/zinc/17/51/12/349175112.db2.gz STRXLTKSFOSKMO-NEPJUHHUSA-N 2 0 228.405 1.812 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCO[C@H]2C)C1 ZINC000252745303 349208871 /nfs/dbraw/zinc/20/88/71/349208871.db2.gz PEVNENPVNFGETM-YNEHKIRRSA-N 2 0 226.364 1.484 20 0 BDADRP CC[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000388590076 349202658 /nfs/dbraw/zinc/20/26/58/349202658.db2.gz LCGBHVOVDUMNIY-HZSPNIEDSA-N 2 0 240.391 1.611 20 0 BDADRP CC[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C[N@H+](C)CC ZINC000388592132 349204677 /nfs/dbraw/zinc/20/46/77/349204677.db2.gz MCOIMCSASINYPN-FRRDWIJNSA-N 2 0 228.380 1.467 20 0 BDADRP CC[C@@H]1CCC[C@@H]1[NH2+][C@H](CCC[NH3+])COC ZINC000388608743 349256789 /nfs/dbraw/zinc/25/67/89/349256789.db2.gz WYZIHIUNFLMBPJ-UPJWGTAASA-N 2 0 228.380 1.909 20 0 BDADRP CC(C)[N@H+](C)CC1CC[NH+](CCC[NH3+])CC1 ZINC000521406075 259408560 /nfs/dbraw/zinc/40/85/60/259408560.db2.gz FIWQPAJYZSNSSO-UHFFFAOYSA-N 3 0 227.396 1.387 20 0 BDADRP Cc1nc(C)c(C[NH2+][C@@H](C)CCC[NH3+])s1 ZINC000336674424 179914031 /nfs/dbraw/zinc/91/40/31/179914031.db2.gz AEVTYOMCEOGVJO-QMMMGPOBSA-N 2 0 227.377 1.977 20 0 BDADRP C[NH2+]CC1CC[NH+]([C@@H](C)c2cnccn2)CC1 ZINC000070480032 350014669 /nfs/dbraw/zinc/01/46/69/350014669.db2.gz MODJPOWHEBQLOP-NSHDSACASA-N 2 0 234.347 1.469 20 0 BDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C[C@@H]1C[C@H]1C ZINC000668475181 490273721 /nfs/dbraw/zinc/27/37/21/490273721.db2.gz NGGMQTMJEHTXDH-RDBSUJKOSA-N 2 0 241.423 1.504 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H]2CCOC[C@@H]2C)CC1 ZINC000302165463 350049263 /nfs/dbraw/zinc/04/92/63/350049263.db2.gz ZBJCGIBJCCGIPQ-JSGCOSHPSA-N 2 0 240.391 1.733 20 0 BDADRP CC[N@H+](C[C@H]1CCCO1)C[C@@H]1CCC[NH2+]C1 ZINC000218466904 350094432 /nfs/dbraw/zinc/09/44/32/350094432.db2.gz LEQPRSXEEDVMLO-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H](O)C1CCCCC1 ZINC000422705548 192436294 /nfs/dbraw/zinc/43/62/94/192436294.db2.gz RVXAQDSSUPEPAH-AAEUAGOBSA-N 2 0 228.380 1.645 20 0 BDADRP CC[NH+](CC)CCN[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000132053187 191024280 /nfs/dbraw/zinc/02/42/80/191024280.db2.gz XIETVBQAYCZECT-STQMWFEESA-N 2 0 227.396 1.258 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000132418100 191032159 /nfs/dbraw/zinc/03/21/59/191032159.db2.gz NZQAICPEASKCPZ-FDYHWXHSSA-N 2 0 226.364 1.626 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@H](O)Cc1ccccc1 ZINC000422736827 192448147 /nfs/dbraw/zinc/44/81/47/192448147.db2.gz GWSWPPDSHQTYEF-TZMCWYRMSA-N 2 0 236.359 1.307 20 0 BDADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C[C@H](C)CC ZINC000133582154 191041951 /nfs/dbraw/zinc/04/19/51/191041951.db2.gz KOZJCTDEXBAADN-OLZOCXBDSA-N 2 0 230.396 1.979 20 0 BDADRP C[C@@H]1CCC[C@H](C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000251922479 538064011 /nfs/dbraw/zinc/06/40/11/538064011.db2.gz USOUBFKDIALJKA-RFGFWPKPSA-N 2 0 222.376 1.964 20 0 BDADRP CC[NH2+]Cc1cccc(NC(=O)C[C@H](C)[NH3+])c1 ZINC000428558720 191089249 /nfs/dbraw/zinc/08/92/49/191089249.db2.gz IGEGEEVYNIUJBN-JTQLQIEISA-N 2 0 235.331 1.472 20 0 BDADRP CCN(C)C[C@H](O)C[N@H+](C)[C@@H](C)CCSC ZINC000309292295 350255812 /nfs/dbraw/zinc/25/58/12/350255812.db2.gz WBXYJNZGBOGEJE-RYUDHWBXSA-N 2 0 248.436 1.372 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@H](O)CCC(C)C)CC1 ZINC000572869929 323316829 /nfs/dbraw/zinc/31/68/29/323316829.db2.gz YILPXHIPSPWDKY-CQSZACIVSA-N 2 0 242.407 1.857 20 0 BDADRP CC(C)[NH+](CCN[C@@H](C)C1C[NH2+]C1)C(C)C ZINC000422755611 192456922 /nfs/dbraw/zinc/45/69/22/192456922.db2.gz KRUKIGLOFIZOHG-LBPRGKRZSA-N 2 0 227.396 1.303 20 0 BDADRP Cc1nccnc1[C@H](C)[NH2+]CCCC[NH+](C)C ZINC000219119853 180281824 /nfs/dbraw/zinc/28/18/24/180281824.db2.gz UMMRWNPWIQWQLZ-NSHDSACASA-N 2 0 236.363 1.777 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623537066 362955786 /nfs/dbraw/zinc/95/57/86/362955786.db2.gz LZFXJRCYXWVPIZ-OLZOCXBDSA-N 2 0 242.407 1.857 20 0 BDADRP Cc1ncsc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000070837113 180318255 /nfs/dbraw/zinc/31/82/55/180318255.db2.gz MLNNIPZRIAMDQQ-SECBINFHSA-N 2 0 211.334 1.232 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000422783700 192467615 /nfs/dbraw/zinc/46/76/15/192467615.db2.gz OTHJOFYAVVKOJX-LPWJVIDDSA-N 2 0 240.391 1.907 20 0 BDADRP CCOC1CC([NH2+]CCCC[NH+](C)C)C1 ZINC000162848357 350444307 /nfs/dbraw/zinc/44/43/07/350444307.db2.gz OWTWUVBHDKOYES-UHFFFAOYSA-N 2 0 214.353 1.485 20 0 BDADRP C[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)C1CC[NH+](C)CC1 ZINC000128337149 490576990 /nfs/dbraw/zinc/57/69/90/490576990.db2.gz AMUXGMLPQMVXDL-DRZSPHRISA-N 2 0 240.391 1.466 20 0 BDADRP C[C@H](NCC1=CC[N@H+](C)CC1)[C@@H]1CCCC[NH2+]1 ZINC000392272983 323376796 /nfs/dbraw/zinc/37/67/96/323376796.db2.gz FBXCSYIPIUSSIP-JSGCOSHPSA-N 2 0 237.391 1.369 20 0 BDADRP CCCC[N@H+](C)CCN[C@H]1CC[NH+](C)C[C@@H]1C ZINC000163507343 350524036 /nfs/dbraw/zinc/52/40/36/350524036.db2.gz FNXOYGHNRCRIGF-KBPBESRZSA-N 2 0 241.423 1.648 20 0 BDADRP CCC[NH+]1CCC([NH2+]CC2(C)COC2)CC1 ZINC000070617248 350549923 /nfs/dbraw/zinc/54/99/23/350549923.db2.gz PRRHVWWVOQKECG-UHFFFAOYSA-N 2 0 226.364 1.487 20 0 BDADRP C[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCSC2)C1 ZINC000250614567 350883034 /nfs/dbraw/zinc/88/30/34/350883034.db2.gz NOFHWFNVOUCDJN-MNOVXSKESA-N 2 0 214.378 1.423 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CCN1CCC(F)(F)F ZINC000063100438 351140399 /nfs/dbraw/zinc/14/03/99/351140399.db2.gz FHGMCPAUAMWOLK-HTQZYQBOSA-N 2 0 210.243 1.750 20 0 BDADRP CC(C)SCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000388681831 363024459 /nfs/dbraw/zinc/02/44/59/363024459.db2.gz HMDLDDIEFBJYHD-QWRGUYRKSA-N 2 0 214.378 1.279 20 0 BDADRP CCn1ccnc1CNCCC[N@H+](C)C(C)C ZINC000218211513 351403898 /nfs/dbraw/zinc/40/38/98/351403898.db2.gz FQWJMXQLIDNXEB-UHFFFAOYSA-N 2 0 238.379 1.723 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000414671199 351578468 /nfs/dbraw/zinc/57/84/68/351578468.db2.gz NJXIEXZFNXXLOO-FQUUOJAGSA-N 3 0 239.407 1.419 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@H](C)OC)C1 ZINC000252715829 538100701 /nfs/dbraw/zinc/10/07/01/538100701.db2.gz WVAISFWRELLGNY-RWMBFGLXSA-N 2 0 228.380 1.731 20 0 BDADRP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000637817357 351661454 /nfs/dbraw/zinc/66/14/54/351661454.db2.gz UQKXFLCSLOAYNQ-NWDGAFQWSA-N 2 0 241.379 1.008 20 0 BDADRP CC[NH2+][C@@H](C)C(=O)NCC1([NH3+])CCCCCC1 ZINC000637807609 351644413 /nfs/dbraw/zinc/64/44/13/351644413.db2.gz JZKNIVVBMIUWBY-NSHDSACASA-N 2 0 241.379 1.152 20 0 BDADRP CC(C)CC[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000637844418 351699758 /nfs/dbraw/zinc/69/97/58/351699758.db2.gz NNNBNVWUSGLLMT-VXGBXAGGSA-N 2 0 243.395 1.240 20 0 BDADRP CC(C)CC[C@@H]([NH3+])C(=O)N(C)CC(C)(C)C[NH3+] ZINC000637862722 351723523 /nfs/dbraw/zinc/72/35/23/351723523.db2.gz UFDCXXRUVBJPCR-LLVKDONJSA-N 2 0 243.395 1.193 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414847431 351856508 /nfs/dbraw/zinc/85/65/08/351856508.db2.gz VUYNYIHHKAKXDC-STQMWFEESA-N 3 0 227.396 1.339 20 0 BDADRP CCOC1CC(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)C1 ZINC000638089287 351965881 /nfs/dbraw/zinc/96/58/81/351965881.db2.gz MQCXCLNIVVQESJ-GNRIBBGQSA-N 2 0 238.375 1.485 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)NCC[N@H+](C)C(C)C ZINC000638098114 351979485 /nfs/dbraw/zinc/97/94/85/351979485.db2.gz ZDVRVMINULJMSC-LBPRGKRZSA-N 2 0 243.395 1.206 20 0 BDADRP CC[C@H](C)[C@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)OC ZINC000638186074 352051201 /nfs/dbraw/zinc/05/12/01/352051201.db2.gz KLHTZZWSPFYAET-RVMXOQNASA-N 2 0 226.364 1.199 20 0 BDADRP C(C1CCSCC1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000638186352 352052086 /nfs/dbraw/zinc/05/20/86/352052086.db2.gz RJWFVRKTRXBUIS-RYUDHWBXSA-N 2 0 226.389 1.281 20 0 BDADRP CC(C)CC[C@@H]([NH3+])C(=O)NC1(C)CC[NH2+]CC1 ZINC000638202600 352064509 /nfs/dbraw/zinc/06/45/09/352064509.db2.gz ATHJSGMRQGESIM-LLVKDONJSA-N 2 0 241.379 1.008 20 0 BDADRP C(C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)C[C@H]1CCO1 ZINC000638360159 352170998 /nfs/dbraw/zinc/17/09/98/352170998.db2.gz TXJUTENOUKXDMS-OCCSQVGLSA-N 2 0 238.375 1.629 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000638382136 352193648 /nfs/dbraw/zinc/19/36/48/352193648.db2.gz SIFCAXFFHIWBIM-YIYPIFLZSA-N 2 0 222.376 1.964 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)NCC[C@H](C)[NH+](C)C ZINC000638409281 352218432 /nfs/dbraw/zinc/21/84/32/352218432.db2.gz OHSXSDFNPPWNSS-RYUDHWBXSA-N 2 0 243.395 1.206 20 0 BDADRP C[C@@H]1CN(Cc2ccncc2Cl)C[C@H]1C[NH3+] ZINC000630076886 363173047 /nfs/dbraw/zinc/17/30/47/363173047.db2.gz LMZDGLHJIDHRME-MWLCHTKSSA-N 2 0 239.750 1.762 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+]C1CC(n2cccn2)C1 ZINC000638466428 352277721 /nfs/dbraw/zinc/27/77/21/352277721.db2.gz JUMHAYNPHSCOCK-HIFPTAJRSA-N 2 0 236.363 1.516 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+]C1CC(n2cccn2)C1 ZINC000638466432 352277815 /nfs/dbraw/zinc/27/78/15/352277815.db2.gz JUMHAYNPHSCOCK-PNESKVBLSA-N 2 0 236.363 1.516 20 0 BDADRP CCCn1cc(CN[C@@H]2C[NH2+]CC[C@H]2C)cn1 ZINC000414928312 352327380 /nfs/dbraw/zinc/32/73/80/352327380.db2.gz MUSFIAMXDMNHGS-DGCLKSJQSA-N 2 0 236.363 1.381 20 0 BDADRP CCN(CC[NH3+])C(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000638522230 352355917 /nfs/dbraw/zinc/35/59/17/352355917.db2.gz BXRTVWRIVAJLEJ-VXGBXAGGSA-N 2 0 241.379 1.091 20 0 BDADRP CCC[NH+]1CCC(N[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414944605 352367463 /nfs/dbraw/zinc/36/74/63/352367463.db2.gz HCQDHNKFPDAJIG-GXTWGEPZSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1CC1(F)F ZINC000638566105 352391650 /nfs/dbraw/zinc/39/16/50/352391650.db2.gz AEVFHIONJDOJLJ-KOLCDFICSA-N 2 0 232.318 1.962 20 0 BDADRP CCOC1CC(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000638588813 352419869 /nfs/dbraw/zinc/41/98/69/352419869.db2.gz OJASWPHCQDCGSZ-HSBZDZAISA-N 2 0 240.391 1.733 20 0 BDADRP CO[C@H](C[NH2+]C[C@@H]1CCC[N@H+](C)C1)CC(C)C ZINC000638589384 352420744 /nfs/dbraw/zinc/42/07/44/352420744.db2.gz UBMAZGDFRJHSID-KBPBESRZSA-N 2 0 242.407 1.979 20 0 BDADRP CC(C)C[N@H+](CCN1CC[NH2+]CC1)C(C)C ZINC000042593369 352623014 /nfs/dbraw/zinc/62/30/14/352623014.db2.gz YZBORTBNOZUJEQ-UHFFFAOYSA-N 2 0 227.396 1.258 20 0 BDADRP CC[NH+]1CCC(N(C)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000042689537 352623534 /nfs/dbraw/zinc/62/35/34/352623534.db2.gz NPZFFSBZUJCQFT-CYBMUJFWSA-N 2 0 239.407 1.402 20 0 BDADRP COC1([C@@H](C)[NH2+]CCC[NH+](C)C)CCC1 ZINC000412021275 191238397 /nfs/dbraw/zinc/23/83/97/191238397.db2.gz LUBNZHVBTDRGJI-LLVKDONJSA-N 2 0 214.353 1.485 20 0 BDADRP C[C@H]1C[C@@H](C[NH+]2CCC([NH+](C)C)CC2)CCO1 ZINC000334253333 352890609 /nfs/dbraw/zinc/89/06/09/352890609.db2.gz XAYQGZXJXUBRGL-STQMWFEESA-N 2 0 240.391 1.828 20 0 BDADRP Cc1nocc1CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000334349945 352980889 /nfs/dbraw/zinc/98/08/89/352980889.db2.gz FFVAJRKEXDRULV-OCCSQVGLSA-N 2 0 249.358 1.899 20 0 BDADRP CC[C@H](C)[C@@H](C[NH2+]CC1=CC[N@H+](C)CC1)OC ZINC000638838179 353023333 /nfs/dbraw/zinc/02/33/33/353023333.db2.gz DXKWLGPQHVZGQJ-GXTWGEPZSA-N 2 0 240.391 1.899 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638821912 353002466 /nfs/dbraw/zinc/00/24/66/353002466.db2.gz DDNXXAHVOQFWLX-DGCLKSJQSA-N 2 0 241.379 1.234 20 0 BDADRP CC(C)([NH3+])CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335632530 535197038 /nfs/dbraw/zinc/19/70/38/535197038.db2.gz GSYKQDFDMZPLSK-VXGBXAGGSA-N 2 0 225.380 1.045 20 0 BDADRP CC[NH+](CC)CCC[NH2+]CCC[C@@H]1CCO1 ZINC000638865388 353039326 /nfs/dbraw/zinc/03/93/26/353039326.db2.gz VWZUOBZJWQNEPT-CYBMUJFWSA-N 2 0 228.380 1.877 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639029503 353296183 /nfs/dbraw/zinc/29/61/83/353296183.db2.gz FPAOWIUGJVJHPZ-SRVKXCTJSA-N 2 0 241.379 1.136 20 0 BDADRP CCN1CCC[C@H]1C[N@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000252572122 353299754 /nfs/dbraw/zinc/29/97/54/353299754.db2.gz CHRHIBKRUGNAOR-KGLIPLIRSA-N 2 0 239.407 1.402 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN(C)C[C@H]1CCC[NH2+]C1 ZINC000252571901 353300101 /nfs/dbraw/zinc/30/01/01/353300101.db2.gz BZFXQSKQESIMKI-UONOGXRCSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@@H](C[NH3+])C(=O)N1CC[C@@H](C[NH3+])c2ccccc21 ZINC000639067284 353381297 /nfs/dbraw/zinc/38/12/97/353381297.db2.gz HXQZNPNEMWBDPU-QWRGUYRKSA-N 2 0 247.342 1.060 20 0 BDADRP CCc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000085282289 538116029 /nfs/dbraw/zinc/11/60/29/538116029.db2.gz BQKVXTPMKKVEMF-GHMZBOCLSA-N 2 0 236.384 1.962 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+](CC3CCOCC3)C2)C1 ZINC000334509294 353409385 /nfs/dbraw/zinc/40/93/85/353409385.db2.gz GKPHZQDDPGFSMB-AWEZNQCLSA-N 2 0 238.375 1.441 20 0 BDADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CCOC2)CC1 ZINC000037786228 358478435 /nfs/dbraw/zinc/47/84/35/358478435.db2.gz ZOOUZYPDOTYFNO-GFCCVEGCSA-N 2 0 240.391 1.875 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccncc3)C[C@@H]21 ZINC000230126583 353473328 /nfs/dbraw/zinc/47/33/28/353473328.db2.gz MCOXTWXUTWSZGZ-HZSPNIEDSA-N 2 0 231.343 1.641 20 0 BDADRP CC[NH+](CC)CCCCNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000192096744 353542154 /nfs/dbraw/zinc/54/21/54/353542154.db2.gz QOJVSDNWNITTEI-RYUDHWBXSA-N 2 0 243.395 1.208 20 0 BDADRP Cc1ccoc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000308871642 353587101 /nfs/dbraw/zinc/58/71/01/353587101.db2.gz ZEBLFROSMLINFR-QWRGUYRKSA-N 2 0 208.305 1.948 20 0 BDADRP CN(CC[NH3+])Cc1cccc(OC(F)(F)F)c1 ZINC000231360956 353591312 /nfs/dbraw/zinc/59/13/12/353591312.db2.gz MWEUUFBWSKFFTE-UHFFFAOYSA-N 2 0 248.248 1.976 20 0 BDADRP C[NH+](C)C1CCN(C[C@@H]2CCCO2)CC1 ZINC000193813344 353608621 /nfs/dbraw/zinc/60/86/21/353608621.db2.gz KQBUMAWGMREGSF-LBPRGKRZSA-N 2 0 212.337 1.191 20 0 BDADRP CC(C)[C@H]([NH3+])C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000037019489 188468825 /nfs/dbraw/zinc/46/88/25/188468825.db2.gz NAAWXWILQUSJQZ-ZDUSSCGKSA-N 2 0 249.358 1.670 20 0 BDADRP C[NH2+]C[C@@H](C)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000178231276 366106662 /nfs/dbraw/zinc/10/66/62/366106662.db2.gz NRCWNFRQXYNKCP-NXEZZACHSA-N 2 0 235.331 1.500 20 0 BDADRP C[NH2+]C[C@H](C)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000178231262 366106721 /nfs/dbraw/zinc/10/67/21/366106721.db2.gz NRCWNFRQXYNKCP-VHSXEESVSA-N 2 0 235.331 1.500 20 0 BDADRP C1CC1[C@H]1OCC[C@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000232450666 353727125 /nfs/dbraw/zinc/72/71/25/353727125.db2.gz YFZVWULYZVYASS-JHJVBQTASA-N 2 0 224.348 1.286 20 0 BDADRP CC[NH2+]CCCNC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000577951753 366135810 /nfs/dbraw/zinc/13/58/10/366135810.db2.gz PLLIRBHLSZOSCW-LLVKDONJSA-N 2 0 249.358 1.436 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc3c[nH]nc32)C1 ZINC000334558974 354007647 /nfs/dbraw/zinc/00/76/47/354007647.db2.gz JEQWWQCAKJKXLU-JQWIXIFHSA-N 2 0 244.342 1.732 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc3c[nH]nc32)C1 ZINC000334558977 354007662 /nfs/dbraw/zinc/00/76/62/354007662.db2.gz JEQWWQCAKJKXLU-ZYHUDNBSSA-N 2 0 244.342 1.732 20 0 BDADRP CC(C)[C@@H](CO)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000086121634 491058109 /nfs/dbraw/zinc/05/81/09/491058109.db2.gz ASGUNOKCCWBMRD-DGCLKSJQSA-N 2 0 228.380 1.323 20 0 BDADRP CC(C)=CC[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344030992 354093991 /nfs/dbraw/zinc/09/39/91/354093991.db2.gz OQWSHULGFYEDIT-UHFFFAOYSA-N 2 0 241.423 1.768 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CC[C@H](CO)C[C@@H]1C ZINC000344128109 354146115 /nfs/dbraw/zinc/14/61/15/354146115.db2.gz IEVIGWYNBSKZIE-KBPBESRZSA-N 2 0 242.407 1.811 20 0 BDADRP CCC[NH2+][C@@H](C)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000449681181 201999874 /nfs/dbraw/zinc/99/98/74/201999874.db2.gz IGLJXHSZRMOYGW-NWDGAFQWSA-N 2 0 241.379 1.023 20 0 BDADRP CC[C@H](C(=O)NC[C@@H](C)[NH+](C)C)[NH+](CC)CC ZINC000344651842 354338045 /nfs/dbraw/zinc/33/80/45/354338045.db2.gz GKYTXSUSSFBRRG-VXGBXAGGSA-N 2 0 243.395 1.173 20 0 BDADRP CCC[N@H+](CC)CCN[C@@H]1C[NH+](CC)C[C@@H]1C ZINC000344772169 354359632 /nfs/dbraw/zinc/35/96/32/354359632.db2.gz MMWWIBIADFUOHD-UONOGXRCSA-N 2 0 241.423 1.648 20 0 BDADRP CC(C)([NH3+])CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000334693364 354483497 /nfs/dbraw/zinc/48/34/97/354483497.db2.gz ZPEPNAHWRXYPMK-LBPRGKRZSA-N 2 0 225.380 1.045 20 0 BDADRP C[N@@H+]1CCCC12CCN(CC1CC1)CC2 ZINC000334736541 354537416 /nfs/dbraw/zinc/53/74/16/354537416.db2.gz XKNBQFSJSOEKNP-UHFFFAOYSA-N 2 0 208.349 1.957 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)C2([NH3+])CCCCC2)cc1 ZINC000334708513 354503457 /nfs/dbraw/zinc/50/34/57/354503457.db2.gz ZVYILUMOQHSIAR-UHFFFAOYSA-N 2 0 247.342 1.745 20 0 BDADRP C[N@H+](CCOCC[NH3+])CCC1CCC1 ZINC000398651715 363418151 /nfs/dbraw/zinc/41/81/51/363418151.db2.gz BIOXIHGFYJBCTC-UHFFFAOYSA-N 2 0 200.326 1.084 20 0 BDADRP C[NH+](C)CCCC[NH2+]C1CCC(O)CC1 ZINC000234245194 363418554 /nfs/dbraw/zinc/41/85/54/363418554.db2.gz UVENKUWUKGYRFQ-UHFFFAOYSA-N 2 0 214.353 1.221 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CC1(C)C ZINC000234743724 363429437 /nfs/dbraw/zinc/42/94/37/363429437.db2.gz UHPNCAGOCXJCAA-NXEZZACHSA-N 2 0 200.326 1.128 20 0 BDADRP Cc1ccc(NC(=O)NC[C@@H]2CCC[NH2+]2)c(C)n1 ZINC000335166987 354925770 /nfs/dbraw/zinc/92/57/70/354925770.db2.gz CDVJLYOESWCGDV-NSHDSACASA-N 2 0 248.330 1.572 20 0 BDADRP Cc1ccncc1C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000335178883 354964618 /nfs/dbraw/zinc/96/46/18/354964618.db2.gz NHCFJMATUDMTLF-TZMCWYRMSA-N 2 0 233.359 1.868 20 0 BDADRP C[C@@H]([NH3+])CN1CC[C@](C)(c2ccccc2)C1 ZINC000335229466 355071944 /nfs/dbraw/zinc/07/19/44/355071944.db2.gz GWJRGKVJJIUHGN-OCCSQVGLSA-N 2 0 218.344 1.997 20 0 BDADRP C[C@H]([NH3+])c1ccc(N[C@H]2CC[NH2+]C2)cc1 ZINC000335182588 355080343 /nfs/dbraw/zinc/08/03/43/355080343.db2.gz WQAWVFGTZZNICZ-CABZTGNLSA-N 2 0 205.305 1.480 20 0 BDADRP COC1CCC(C[NH2+][C@@H](C)CCC[NH3+])CC1 ZINC000422839783 192484953 /nfs/dbraw/zinc/48/49/53/192484953.db2.gz RHKZEASAGXPCLY-HIFPTAJRSA-N 2 0 228.380 1.909 20 0 BDADRP CC(C)[NH+](CCN(C)CC(C)(C)[NH3+])C(C)C ZINC000346965890 355173045 /nfs/dbraw/zinc/17/30/45/355173045.db2.gz CXRNZTXIKXJDCH-UHFFFAOYSA-N 2 0 229.412 1.774 20 0 BDADRP CC[N@H+](C)C[C@@H]1CCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000347005399 355201904 /nfs/dbraw/zinc/20/19/04/355201904.db2.gz PFIXQZHRGQTQTN-KGLIPLIRSA-N 2 0 239.407 1.260 20 0 BDADRP C[NH+](C)Cc1ccc(CNC(=O)CCC[NH3+])cc1 ZINC000347627131 355239981 /nfs/dbraw/zinc/23/99/81/355239981.db2.gz SQIFVSAADATSMQ-UHFFFAOYSA-N 2 0 249.358 1.103 20 0 BDADRP CO[C@@H](C[NH2+]CCCC[N@H+](C)C1CC1)C1CC1 ZINC000639245295 355257597 /nfs/dbraw/zinc/25/75/97/355257597.db2.gz VQYROGUOHIXWEA-AWEZNQCLSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCCOC1 ZINC000389011783 355409362 /nfs/dbraw/zinc/40/93/62/355409362.db2.gz SPAZBJIGUWYLHL-UMSGYPCISA-N 2 0 226.364 1.661 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000414762469 191563411 /nfs/dbraw/zinc/56/34/11/191563411.db2.gz BENXJXZFZOQXOF-AGIUHOORSA-N 2 0 225.380 1.044 20 0 BDADRP CC(C)[C@@H]([NH3+])CNC1CC[NH+](C(C)C)CC1 ZINC000414789628 191568902 /nfs/dbraw/zinc/56/89/02/191568902.db2.gz FNWKTIUMXAXETD-ZDUSSCGKSA-N 2 0 227.396 1.432 20 0 BDADRP CC(C)[C@@H]1C[C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)CCO1 ZINC000414824748 191585790 /nfs/dbraw/zinc/58/57/90/191585790.db2.gz BDCQOYXBAHTPBH-RDBSUJKOSA-N 2 0 240.391 1.779 20 0 BDADRP CC[NH+](CC)CCC[NH2+]C[C@H]1CCCOC1 ZINC000084718492 355486104 /nfs/dbraw/zinc/48/61/04/355486104.db2.gz OVTRQIBYXNRHAZ-CYBMUJFWSA-N 2 0 228.380 1.735 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cn2ccccc2n1 ZINC000415006827 191647959 /nfs/dbraw/zinc/64/79/59/191647959.db2.gz AMBRQUPPMCLSIL-LBPRGKRZSA-N 2 0 246.358 1.941 20 0 BDADRP C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415029788 191656337 /nfs/dbraw/zinc/65/63/37/191656337.db2.gz BOLVPACZDKSPKO-FRRDWIJNSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000398646555 355548152 /nfs/dbraw/zinc/54/81/52/355548152.db2.gz AENNAGVZJURPFX-AGIUHOORSA-N 2 0 228.380 1.658 20 0 BDADRP CC(C)Cn1cc(C[NH2+]C[C@@H](C)C[NH3+])cn1 ZINC000414877325 191612272 /nfs/dbraw/zinc/61/22/72/191612272.db2.gz MKQGAEFIJXRJFR-NSHDSACASA-N 2 0 224.352 1.224 20 0 BDADRP C[C@H](C[NH2+]C[C@@H]([NH3+])C1CC1)CC1CCOCC1 ZINC000414893612 191618105 /nfs/dbraw/zinc/61/81/05/191618105.db2.gz RTHDGGBVCLHPBI-SMDDNHRTSA-N 2 0 240.391 1.766 20 0 BDADRP CC(C)(C)[NH2+]CCNC1(C)CC[NH2+]CC1 ZINC000414943255 191629667 /nfs/dbraw/zinc/62/96/67/191629667.db2.gz NOVULZDAUVVVPF-UHFFFAOYSA-N 2 0 213.369 1.106 20 0 BDADRP C[NH2+]Cc1ccc(N[C@@H]2CC[NH2+]C2)cc1 ZINC000414966844 191635005 /nfs/dbraw/zinc/63/50/05/191635005.db2.gz APNJDDZDRTWQTR-GFCCVEGCSA-N 2 0 205.305 1.180 20 0 BDADRP C(C[NH2+]CC[C@@H]1CCOC1)C[C@@H]1CCC[NH2+]1 ZINC000414973384 191637279 /nfs/dbraw/zinc/63/72/79/191637279.db2.gz ZLMXZDJOJKYVOE-CHWSQXEVSA-N 2 0 226.364 1.535 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000335856223 355600953 /nfs/dbraw/zinc/60/09/53/355600953.db2.gz XUYQOPNKDXHVJJ-NSHDSACASA-N 2 0 230.315 1.344 20 0 BDADRP COCC(C)(C)C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415040285 191660079 /nfs/dbraw/zinc/66/00/79/191660079.db2.gz OWFRTGWXQSPHAD-QWRGUYRKSA-N 2 0 214.353 1.376 20 0 BDADRP CC(C)n1cc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cn1 ZINC000415044999 191661120 /nfs/dbraw/zinc/66/11/20/191661120.db2.gz SWRGQXRSDHUPPI-DGCLKSJQSA-N 2 0 236.363 1.681 20 0 BDADRP CO[C@@H](C[NH2+]C[C@@H]1CCN1C(C)(C)C)C1CC1 ZINC000639301718 355642232 /nfs/dbraw/zinc/64/22/32/355642232.db2.gz ANHHRJJKPZYQRA-STQMWFEESA-N 2 0 240.391 1.874 20 0 BDADRP O[C@@H]1C[N@H+](Cc2cccc3nccn32)CC12CC2 ZINC000335892931 355686612 /nfs/dbraw/zinc/68/66/12/355686612.db2.gz PQEPCGRZOLAANE-GFCCVEGCSA-N 2 0 243.310 1.291 20 0 BDADRP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000216022207 355796673 /nfs/dbraw/zinc/79/66/73/355796673.db2.gz DHDHXXOSFZCFAD-AAEUAGOBSA-N 2 0 234.343 1.864 20 0 BDADRP CC[C@@H](C)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000040769999 358499529 /nfs/dbraw/zinc/49/95/29/358499529.db2.gz CFIQCXGAJGBKNW-KGLIPLIRSA-N 2 0 241.423 1.647 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1CC=CC1 ZINC000530218231 355900392 /nfs/dbraw/zinc/90/03/92/355900392.db2.gz VUUZNUJTXJUGLP-DRZSPHRISA-N 2 0 224.348 1.295 20 0 BDADRP CO[C@@H]1CC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000351331651 355980544 /nfs/dbraw/zinc/98/05/44/355980544.db2.gz RUVLSNBPZLYNGZ-CHWSQXEVSA-N 2 0 226.364 1.582 20 0 BDADRP Cc1cnccc1CN(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000639392308 356053960 /nfs/dbraw/zinc/05/39/60/356053960.db2.gz DXKHDUCFHWTQDM-OAHLLOKOSA-N 2 0 245.370 1.916 20 0 BDADRP C[C@H]1C[N@H+](C)CCN1CC[NH+]1CCCCC1 ZINC000335917019 356159798 /nfs/dbraw/zinc/15/97/98/356159798.db2.gz DQBZQKHQDHWGTL-ZDUSSCGKSA-N 2 0 225.380 1.108 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1cnn(C)c1 ZINC000335919118 356166354 /nfs/dbraw/zinc/16/63/54/356166354.db2.gz IKJIXAQIBITZQU-YPMHNXCESA-N 2 0 236.363 1.192 20 0 BDADRP [NH3+]CC[C@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420318935 192195127 /nfs/dbraw/zinc/19/51/27/192195127.db2.gz WWVHEESFCGKALG-UONOGXRCSA-N 3 0 239.407 1.437 20 0 BDADRP CCCN(CC[C@@H]1CCC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000420297281 192205244 /nfs/dbraw/zinc/20/52/44/192205244.db2.gz RFCOSJNOUSOPGC-UONOGXRCSA-N 2 0 239.407 1.450 20 0 BDADRP CCCN(CC[C@H]1CCC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000420297285 192205757 /nfs/dbraw/zinc/20/57/57/192205757.db2.gz RFCOSJNOUSOPGC-ZIAGYGMSSA-N 2 0 239.407 1.450 20 0 BDADRP [NH3+]CC[C@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420318937 192195560 /nfs/dbraw/zinc/19/55/60/192195560.db2.gz WWVHEESFCGKALG-ZIAGYGMSSA-N 3 0 239.407 1.437 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000420319756 192196027 /nfs/dbraw/zinc/19/60/27/192196027.db2.gz SCEAKQMLDHWBSN-KGLIPLIRSA-N 2 0 239.407 1.402 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420269525 192196116 /nfs/dbraw/zinc/19/61/16/192196116.db2.gz IEYUSOPZVGQAKX-KGLIPLIRSA-N 3 0 239.407 1.308 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC000639490390 356307981 /nfs/dbraw/zinc/30/79/81/356307981.db2.gz YWGRLADUKLTNOV-QWHCGFSZSA-N 2 0 240.391 1.685 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC000639490391 356308003 /nfs/dbraw/zinc/30/80/03/356308003.db2.gz YWGRLADUKLTNOV-STQMWFEESA-N 2 0 240.391 1.685 20 0 BDADRP CCCN(CC[C@@H]1CC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000420286303 192200258 /nfs/dbraw/zinc/20/02/58/192200258.db2.gz FFNCRNOAZCMVOC-QWHCGFSZSA-N 2 0 225.380 1.060 20 0 BDADRP CC[N@H+](CCN1CC[NH2+]CC1)[C@@H](C)C(C)C ZINC000420303905 192206684 /nfs/dbraw/zinc/20/66/84/192206684.db2.gz NXFIURGXSXWUGV-ZDUSSCGKSA-N 2 0 227.396 1.258 20 0 BDADRP C[C@@]1(C[NH3+])CC[N@H+](CC[C@H]2CCCCO2)C1 ZINC000420314800 192213342 /nfs/dbraw/zinc/21/33/42/192213342.db2.gz LLGPKOSZWHXOQP-OLZOCXBDSA-N 2 0 226.364 1.616 20 0 BDADRP c1cnn(CC[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420330532 192213910 /nfs/dbraw/zinc/21/39/10/192213910.db2.gz QBBQNJDCZUUZEA-ZIAGYGMSSA-N 2 0 248.374 1.205 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCO[C@@H]2C)C1 ZINC000639510517 356343189 /nfs/dbraw/zinc/34/31/89/356343189.db2.gz BBRGJSVHTBKSRB-HZSPNIEDSA-N 2 0 240.391 1.685 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420305226 192209034 /nfs/dbraw/zinc/20/90/34/192209034.db2.gz GHGIPWGGIIRKAF-OLZOCXBDSA-N 3 0 225.380 1.047 20 0 BDADRP [NH3+]CC[C@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420305229 192209705 /nfs/dbraw/zinc/20/97/05/192209705.db2.gz GHGIPWGGIIRKAF-QWHCGFSZSA-N 3 0 225.380 1.047 20 0 BDADRP CC[NH+](CC)CCCN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000420317322 192212397 /nfs/dbraw/zinc/21/23/97/192212397.db2.gz ZJBINLKTWZNSTO-MJBXVCDLSA-N 2 0 239.407 1.387 20 0 BDADRP C(C[N@@H+]1CCOC[C@H]1C1CC1)[C@H]1CCC[NH2+]C1 ZINC000420368361 192225888 /nfs/dbraw/zinc/22/58/88/192225888.db2.gz WQNQGCFSEBCILI-OCCSQVGLSA-N 2 0 238.375 1.487 20 0 BDADRP CC(C)[C@@](C)(CN)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000420327863 192229973 /nfs/dbraw/zinc/22/99/73/192229973.db2.gz ZADZANVRWHTWLV-CHWSQXEVSA-N 2 0 227.396 1.339 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420324883 192230040 /nfs/dbraw/zinc/23/00/40/192230040.db2.gz VPDJHLRXZHCAOU-KGLIPLIRSA-N 3 0 239.407 1.260 20 0 BDADRP COC[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420326171 192230090 /nfs/dbraw/zinc/23/00/90/192230090.db2.gz JLCTZFUXQJJEJW-AVGNSLFASA-N 2 0 226.364 1.343 20 0 BDADRP CC[NH+](CC)CCCN[C@H](C[NH3+])C(C)(C)C ZINC000420359770 192221100 /nfs/dbraw/zinc/22/11/00/192221100.db2.gz KJSJDLSVXFNHMV-GFCCVEGCSA-N 2 0 229.412 1.681 20 0 BDADRP CCCC[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420386930 192235217 /nfs/dbraw/zinc/23/52/17/192235217.db2.gz VICRWEVPYJQCKY-LBPRGKRZSA-N 2 0 237.351 1.174 20 0 BDADRP C[NH2+]CCC[N@H+](C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000420381528 192235642 /nfs/dbraw/zinc/23/56/42/192235642.db2.gz XOFOWPBQRCQZKE-IUODEOHRSA-N 2 0 248.370 1.920 20 0 BDADRP Cc1ccc([C@H](C)[NH2+]CCOCC[NH3+])cc1F ZINC000420400196 192238339 /nfs/dbraw/zinc/23/83/39/192238339.db2.gz IJSNNSAQOFHGNI-NSHDSACASA-N 2 0 240.322 1.760 20 0 BDADRP C[C@@H]1CC[N@H+](CCOCC2CC2)C[C@H]1C[NH3+] ZINC000420410740 192239931 /nfs/dbraw/zinc/23/99/31/192239931.db2.gz RHVMHCVFDWVIBM-DGCLKSJQSA-N 2 0 226.364 1.330 20 0 BDADRP COC[C@H](NC[C@@H](C)[NH3+])c1ccc(F)c(F)c1 ZINC000420406363 192239947 /nfs/dbraw/zinc/23/99/47/192239947.db2.gz NTWVGPTZIFWYCO-PELKAZGASA-N 2 0 244.285 1.589 20 0 BDADRP COC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000228164499 491091219 /nfs/dbraw/zinc/09/12/19/491091219.db2.gz GGXWZWYCFUVHNC-WCQYABFASA-N 2 0 226.364 1.343 20 0 BDADRP COCCC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420374353 192232373 /nfs/dbraw/zinc/23/23/73/192232373.db2.gz NPVKMLVJOZFBRW-GFCCVEGCSA-N 2 0 212.337 1.098 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C[NH3+] ZINC000167588117 134100394 /nfs/dbraw/zinc/10/03/94/134100394.db2.gz ARBIXILHINXDRB-NEPJUHHUSA-N 2 0 219.332 1.498 20 0 BDADRP C[NH2+]CCC[NH+]1CCC(C)(COC)CC1 ZINC000420378393 192233491 /nfs/dbraw/zinc/23/34/91/192233491.db2.gz UBBHKCLEPANETD-UHFFFAOYSA-N 2 0 214.353 1.344 20 0 BDADRP CC(C)(C)[NH2+]CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414919469 491092268 /nfs/dbraw/zinc/09/22/68/491092268.db2.gz VCZLKPXGVAPFID-MNOVXSKESA-N 2 0 213.369 1.234 20 0 BDADRP CC[C@H]1CO[C@H](C)C[N@@H+]1CCC1CC[NH2+]CC1 ZINC000020593536 356489115 /nfs/dbraw/zinc/48/91/15/356489115.db2.gz OKGDFSXFMIYGJM-OCCSQVGLSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]([NH2+]CCN1CCCC1(C)C)[C@H]1CCOC1 ZINC000449781619 202036224 /nfs/dbraw/zinc/03/62/24/202036224.db2.gz IXPUPUINWFKMND-OLZOCXBDSA-N 2 0 240.391 1.875 20 0 BDADRP CCN(CC)C(=O)CCC[NH2+][C@@H](C)CCC[NH3+] ZINC000422952542 192526020 /nfs/dbraw/zinc/52/60/20/192526020.db2.gz CVIQAWPWJRSWHP-LBPRGKRZSA-N 2 0 243.395 1.352 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000422965656 192529336 /nfs/dbraw/zinc/52/93/36/192529336.db2.gz PDVYAOZMCFWSJQ-SRVKXCTJSA-N 2 0 239.363 1.598 20 0 BDADRP CC(=O)CN1CCCN(c2cc[nH+]cc2)CC1 ZINC000639685238 356600590 /nfs/dbraw/zinc/60/05/90/356600590.db2.gz RGQIGNZWMSUNCM-UHFFFAOYSA-N 2 0 233.315 1.183 20 0 BDADRP CCc1cc(N2CC[NH+](CCOC)CC2)cc[nH+]1 ZINC000450236078 202102483 /nfs/dbraw/zinc/10/24/83/202102483.db2.gz YKSFKKSTMJARBC-UHFFFAOYSA-N 2 0 249.358 1.412 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@H]2CC[C@H](CO)CC2)CC1 ZINC000423006356 192534847 /nfs/dbraw/zinc/53/48/47/192534847.db2.gz OIIYUNILSAGCSE-VKNLNRKYSA-N 2 0 240.391 1.645 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@H]1CCO)[C@H]1CCC[NH2+]1 ZINC000423059434 192554457 /nfs/dbraw/zinc/55/44/57/192554457.db2.gz FSMFAUAJNUNREL-WUHRBBMRSA-N 2 0 226.364 1.268 20 0 BDADRP CC[NH+](CC)[C@@H]1CCN(C[C@@H]([NH3+])CC(C)C)C1 ZINC000216596844 134152755 /nfs/dbraw/zinc/15/27/55/134152755.db2.gz UGBODMRROPPQCI-UONOGXRCSA-N 2 0 241.423 1.776 20 0 BDADRP Fc1ccccc1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000088287517 356657144 /nfs/dbraw/zinc/65/71/44/356657144.db2.gz ZSVTYXFKSINHQF-RYUDHWBXSA-N 2 0 220.291 1.477 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCC1(F)CCC1 ZINC000423123699 192577368 /nfs/dbraw/zinc/57/73/68/192577368.db2.gz LQJXPXDUDNZSKH-QWRGUYRKSA-N 2 0 214.328 1.986 20 0 BDADRP [NH3+]CC1CCC([NH2+]CCC[C@@H]2CCOC2)CC1 ZINC000423150350 192591351 /nfs/dbraw/zinc/59/13/51/192591351.db2.gz BQNMCPMDFDEDOY-ROKHWSDSSA-N 2 0 240.391 1.910 20 0 BDADRP Cc1nccn1CC[N@@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000639777070 356720542 /nfs/dbraw/zinc/72/05/42/356720542.db2.gz IHIGOZNEBYIQNN-ZDUSSCGKSA-N 2 0 245.330 1.752 20 0 BDADRP CCC[C@@H](O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000450434633 202167384 /nfs/dbraw/zinc/16/73/84/202167384.db2.gz DLPWFLNNLZGHNC-UONOGXRCSA-N 2 0 242.407 1.954 20 0 BDADRP CC[C@H]([NH2+][C@H](C)CCCC[NH3+])[C@H](O)C(F)F ZINC000423152138 192591944 /nfs/dbraw/zinc/59/19/44/192591944.db2.gz DPZZYDCGAZJGEO-UTLUCORTSA-N 2 0 238.322 1.498 20 0 BDADRP C[C@H]([NH2+]CC1(CF)CCOCC1)[C@H]1CCC[NH2+]1 ZINC000423152841 192592136 /nfs/dbraw/zinc/59/21/36/192592136.db2.gz MQASBIQVBBOYEQ-NWDGAFQWSA-N 2 0 244.354 1.483 20 0 BDADRP CC(C)C[C@H](CO)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623373038 356882307 /nfs/dbraw/zinc/88/23/07/356882307.db2.gz PWJYBYKMORFPNM-QWHCGFSZSA-N 2 0 242.407 1.856 20 0 BDADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccnc1 ZINC000423175584 192609236 /nfs/dbraw/zinc/60/92/36/192609236.db2.gz DXVKKJSDJRXWKY-ZDUSSCGKSA-N 2 0 248.374 1.028 20 0 BDADRP CC(C)CC[C@H](O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000361267154 356923859 /nfs/dbraw/zinc/92/38/59/356923859.db2.gz QRMRPINTRHCHFZ-KGLIPLIRSA-N 2 0 242.407 1.667 20 0 BDADRP CC[C@@H](NCC1([NH3+])CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000423187189 192615312 /nfs/dbraw/zinc/61/53/12/192615312.db2.gz XJJXORAWYRRCKF-OLZOCXBDSA-N 2 0 239.407 1.768 20 0 BDADRP COC[C@H](C)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623378121 356900109 /nfs/dbraw/zinc/90/01/09/356900109.db2.gz UBVFRIZSMFIZQK-NEPJUHHUSA-N 2 0 228.380 1.731 20 0 BDADRP CC[NH+]1CCC([NH2+]CCCOCCOC)CC1 ZINC000020191745 357000246 /nfs/dbraw/zinc/00/02/46/357000246.db2.gz BKTVEUQGTBQVNI-UHFFFAOYSA-N 2 0 244.379 1.113 20 0 BDADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCO[C@@H]2C)CC1 ZINC000120057801 357031717 /nfs/dbraw/zinc/03/17/17/357031717.db2.gz CLPVBBSZNJIBLU-TZMCWYRMSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@H](C[NH3+])N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000389788447 357032660 /nfs/dbraw/zinc/03/26/60/357032660.db2.gz NSMTXEWTVCRCMK-UMVBOHGHSA-N 2 0 247.386 1.444 20 0 BDADRP CC[C@H]1CN(C[C@@H](O)C[N@H+](C)CC)CCS1 ZINC000390587758 357102685 /nfs/dbraw/zinc/10/26/85/357102685.db2.gz RJJOPLMHXPVDEI-RYUDHWBXSA-N 2 0 246.420 1.126 20 0 BDADRP COCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000656200485 538784893 /nfs/dbraw/zinc/78/48/93/538784893.db2.gz NLMWZWSFQCTKCU-FOSCPWQOSA-N 2 0 224.348 1.286 20 0 BDADRP CC(C)[NH2+]CCC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000582409965 357137865 /nfs/dbraw/zinc/13/78/65/357137865.db2.gz MDUYFUJUJHZEQW-LBPRGKRZSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc2n[nH]cc2c1 ZINC000582414410 357140290 /nfs/dbraw/zinc/14/02/90/357140290.db2.gz IMCXXZCRKFFOFC-UWVGGRQHSA-N 2 0 244.342 1.821 20 0 BDADRP C[C@@H](O)[C@H](C)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000582415378 357140489 /nfs/dbraw/zinc/14/04/89/357140489.db2.gz QYLQADXWPTUIMS-NWDGAFQWSA-N 2 0 236.359 1.607 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+][C@H]2CCCOCC2)cc1 ZINC000582420908 357143739 /nfs/dbraw/zinc/14/37/39/357143739.db2.gz OEUYTXYOPBYKDE-AWEZNQCLSA-N 2 0 234.343 1.804 20 0 BDADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000392236357 357144071 /nfs/dbraw/zinc/14/40/71/357144071.db2.gz WLMNAMHXKIILNU-QWHCGFSZSA-N 3 0 223.364 1.108 20 0 BDADRP CSC[C@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000399997672 357144626 /nfs/dbraw/zinc/14/46/26/357144626.db2.gz LITANOTYHFDMHO-GHMZBOCLSA-N 2 0 214.378 1.423 20 0 BDADRP CC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000304318702 357162029 /nfs/dbraw/zinc/16/20/29/357162029.db2.gz PLGBROANGWLKFG-UONOGXRCSA-N 2 0 240.391 1.565 20 0 BDADRP CC[C@@H](O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000304335244 357162813 /nfs/dbraw/zinc/16/28/13/357162813.db2.gz WRPDQJBPIOBNDP-CHWSQXEVSA-N 2 0 228.380 1.564 20 0 BDADRP Cc1ccc(CC[NH2+][C@@H](C)CCC[NH3+])cn1 ZINC000583687668 357120221 /nfs/dbraw/zinc/12/02/21/357120221.db2.gz GSPVFSKSTMLGGW-NSHDSACASA-N 2 0 221.348 1.650 20 0 BDADRP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)ccn1 ZINC000391143184 357122807 /nfs/dbraw/zinc/12/28/07/357122807.db2.gz SCHCDIOIABNPPQ-CHWSQXEVSA-N 2 0 219.332 1.750 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccnn1C ZINC000423255987 192654103 /nfs/dbraw/zinc/65/41/03/192654103.db2.gz BDVBUUJYSBSCAA-RYUDHWBXSA-N 2 0 236.363 1.460 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1cn[nH]c1 ZINC000423268372 192663145 /nfs/dbraw/zinc/66/31/45/192663145.db2.gz GEJMWJOHWPKDGG-QWRGUYRKSA-N 2 0 222.336 1.450 20 0 BDADRP COC[C@H](C)C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000628425898 357253964 /nfs/dbraw/zinc/25/39/64/357253964.db2.gz YUJPEQMTQKBTEY-CHWSQXEVSA-N 2 0 228.380 1.590 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCC1(CO)CC1 ZINC000582719676 357370767 /nfs/dbraw/zinc/37/07/67/357370767.db2.gz BXMZKBAOAWZOJX-NEPJUHHUSA-N 2 0 226.364 1.399 20 0 BDADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)CCC[NH3+])cc1 ZINC000423296357 192685506 /nfs/dbraw/zinc/68/55/06/192685506.db2.gz YXVVXVXIQLPXDV-RYUDHWBXSA-N 3 0 235.375 1.923 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1CCCOC1 ZINC000582546432 357331404 /nfs/dbraw/zinc/33/14/04/357331404.db2.gz RNZGSPCIOTXDOX-AXFHLTTASA-N 2 0 200.326 1.128 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000582540556 357338748 /nfs/dbraw/zinc/33/87/48/357338748.db2.gz ZBALEWDJJIYHJR-MCIONIFRSA-N 2 0 239.407 1.306 20 0 BDADRP COc1ncccc1CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000582735001 357376629 /nfs/dbraw/zinc/37/66/29/357376629.db2.gz ALJBGTCSRPZNKO-CHWSQXEVSA-N 2 0 249.358 1.492 20 0 BDADRP CC[C@@](C)(O)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623408022 357403951 /nfs/dbraw/zinc/40/39/51/357403951.db2.gz DWDCMWMRTZJEHA-WCQYABFASA-N 2 0 228.380 1.610 20 0 BDADRP COC[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000582840256 357412789 /nfs/dbraw/zinc/41/27/89/357412789.db2.gz BIEKNGNQHGVWTQ-GMTAPVOTSA-N 2 0 200.326 1.128 20 0 BDADRP Nc1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH2+]CC1 ZINC000582856792 357422049 /nfs/dbraw/zinc/42/20/49/357422049.db2.gz FYTVKVNGICKQGQ-CQSZACIVSA-N 2 0 231.343 1.598 20 0 BDADRP CC(C)[NH2+]CCC[NH2+][C@H]1CCO[C@H](C)C1 ZINC000582899096 357424924 /nfs/dbraw/zinc/42/49/24/357424924.db2.gz WNQUYIOUYPUUAU-NEPJUHHUSA-N 2 0 214.353 1.532 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H](CO)CC2CCC2)C1 ZINC000583153858 357496989 /nfs/dbraw/zinc/49/69/89/357496989.db2.gz SQSAKUXICIQVAE-UPJWGTAASA-N 2 0 226.364 1.397 20 0 BDADRP Cc1cccc(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)n1 ZINC000359016914 538848531 /nfs/dbraw/zinc/84/85/31/538848531.db2.gz UHQASYCJYSIFPN-IUODEOHRSA-N 2 0 247.386 1.862 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2COC(C)(C)C2)C1 ZINC000396842755 357485894 /nfs/dbraw/zinc/48/58/94/357485894.db2.gz DUNKINQLXPVKDD-VXGBXAGGSA-N 2 0 226.364 1.485 20 0 BDADRP CC[C@@H]([NH3+])C(=O)N(CC)CCC[NH+](CC)CC ZINC000230712311 357573782 /nfs/dbraw/zinc/57/37/82/357573782.db2.gz PNBJEPFVUJRXIH-GFCCVEGCSA-N 2 0 243.395 1.304 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000230483966 357525612 /nfs/dbraw/zinc/52/56/12/357525612.db2.gz DBAZOTKVHURXEQ-KWCYVHTRSA-N 2 0 242.407 1.904 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000230479291 357526091 /nfs/dbraw/zinc/52/60/91/357526091.db2.gz VASLZAAJWNIYEP-WCQYABFASA-N 2 0 228.380 1.373 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCSCCCO ZINC000230785088 357564882 /nfs/dbraw/zinc/56/48/82/357564882.db2.gz HTACQTAEHOLOJE-RYUDHWBXSA-N 2 0 246.420 1.209 20 0 BDADRP CC[NH+]1CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000231708062 357623036 /nfs/dbraw/zinc/62/30/36/357623036.db2.gz QDHOGSYXNQOZDI-GFCCVEGCSA-N 2 0 226.364 1.487 20 0 BDADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000397616271 357627092 /nfs/dbraw/zinc/62/70/92/357627092.db2.gz UJCXMDWADAZHSV-YNEHKIRRSA-N 2 0 238.375 1.221 20 0 BDADRP C[C@@H]1CC([NH2+]CCOCC[NH+](C)C)C[C@@H](C)C1 ZINC000231676054 357618345 /nfs/dbraw/zinc/61/83/45/357618345.db2.gz IUWNCHNHSAZBGT-STQMWFEESA-N 2 0 242.407 1.979 20 0 BDADRP CC1(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CCC1 ZINC000232880259 357686719 /nfs/dbraw/zinc/68/67/19/357686719.db2.gz NKSCZEGHIRKFKB-GFCCVEGCSA-N 2 0 226.364 1.223 20 0 BDADRP CC(C)[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623415195 357763022 /nfs/dbraw/zinc/76/30/22/357763022.db2.gz CGZQWRFJRGTXAW-TZMCWYRMSA-N 2 0 242.407 1.856 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@](C)(O)C2CC2)CC1(C)C ZINC000623415534 357764480 /nfs/dbraw/zinc/76/44/80/357764480.db2.gz OJUQDARWLQYNLL-GXTWGEPZSA-N 2 0 240.391 1.610 20 0 BDADRP CSC1(C[NH2+][C@@H](C)[C@H](C)O)CC[NH+](C)CC1 ZINC000584465627 357992580 /nfs/dbraw/zinc/99/25/80/357992580.db2.gz SJSLSBBZPCEXOY-QWRGUYRKSA-N 2 0 246.420 1.173 20 0 BDADRP C(C[NH2+]CC[C@H]1CCOC1)C[NH+]1CCCC1 ZINC000220842085 358055801 /nfs/dbraw/zinc/05/58/01/358055801.db2.gz PWJBDMIIDGGXOS-ZDUSSCGKSA-N 2 0 226.364 1.489 20 0 BDADRP C([NH2+][C@@H]1CCCSC1)C1CC[NH2+]CC1 ZINC000220675219 358046851 /nfs/dbraw/zinc/04/68/51/358046851.db2.gz JEWOHSIQCZSDMG-LLVKDONJSA-N 2 0 214.378 1.471 20 0 BDADRP C([NH2+][C@H]1CCCSC1)C1CC[NH2+]CC1 ZINC000220675269 358046888 /nfs/dbraw/zinc/04/68/88/358046888.db2.gz JEWOHSIQCZSDMG-NSHDSACASA-N 2 0 214.378 1.471 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)[C@@H]1CCCO1 ZINC000168713038 134246565 /nfs/dbraw/zinc/24/65/65/134246565.db2.gz RIVKJPUIJOZSRG-TUAOUCFPSA-N 2 0 212.337 1.286 20 0 BDADRP CCC[C@H](O)C[NH+]1CCC(CC)([NH+](C)C)CC1 ZINC000640016216 358069187 /nfs/dbraw/zinc/06/91/87/358069187.db2.gz WGQJYKWLTSBRSY-ZDUSSCGKSA-N 2 0 242.407 1.954 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCOC1)C1CC[NH+](C)CC1 ZINC000071011941 491119891 /nfs/dbraw/zinc/11/98/91/491119891.db2.gz UVYDQSQSPQMPGM-WCQYABFASA-N 2 0 226.364 1.485 20 0 BDADRP CC(C)[C@@H](O)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623421192 358165510 /nfs/dbraw/zinc/16/55/10/358165510.db2.gz BEEAECBAEGOJHZ-NEPJUHHUSA-N 2 0 228.380 1.466 20 0 BDADRP C[N@H+](CCN[C@@H]1CCC[C@@H]([NH3+])C1)C1CCCC1 ZINC000223011815 358214177 /nfs/dbraw/zinc/21/41/77/358214177.db2.gz XDLISCMFUQDNKA-CHWSQXEVSA-N 3 0 239.407 1.720 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccno3)C[C@H]21 ZINC000228474562 358375610 /nfs/dbraw/zinc/37/56/10/358375610.db2.gz RIYWGXPNENGPIK-YUSALJHKSA-N 2 0 221.304 1.234 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000230680239 358409395 /nfs/dbraw/zinc/40/93/95/358409395.db2.gz UWQACXIWFVJQNB-UTUOFQBUSA-N 2 0 214.353 1.397 20 0 BDADRP CC[C@H](CCO)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623428302 358444977 /nfs/dbraw/zinc/44/49/77/358444977.db2.gz FVJHOTUNGVTRIF-VXGBXAGGSA-N 2 0 228.380 1.610 20 0 BDADRP C[N@H+]1C[C@@H]2C[NH+](C[C@@H]3CCCCO3)C[C@@H]2C1 ZINC000193599557 358433844 /nfs/dbraw/zinc/43/38/44/358433844.db2.gz OSHLAVGOBCOTTG-XQQFMLRXSA-N 2 0 224.348 1.049 20 0 BDADRP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623427858 358435316 /nfs/dbraw/zinc/43/53/16/358435316.db2.gz PFJPPHJUBNDYFK-RWMBFGLXSA-N 2 0 242.407 1.856 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)CN1C1CC1 ZINC000130025340 358605681 /nfs/dbraw/zinc/60/56/81/358605681.db2.gz WDVATWQGLRNHJK-CHWSQXEVSA-N 3 0 239.407 1.543 20 0 BDADRP CC[C@@H](O)CCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623429990 358690276 /nfs/dbraw/zinc/69/02/76/358690276.db2.gz YTBODGUEERVHOY-QWHCGFSZSA-N 2 0 242.407 2.000 20 0 BDADRP CC[NH+]1CCC(N[C@@H](C)CC[NH+](C)C)CC1 ZINC000049551854 358694530 /nfs/dbraw/zinc/69/45/30/358694530.db2.gz WJIVGYQMGSYNRW-LBPRGKRZSA-N 2 0 227.396 1.401 20 0 BDADRP C[N@H+](CCC[NH3+])CCOc1ccccc1F ZINC000133226725 358748580 /nfs/dbraw/zinc/74/85/80/358748580.db2.gz LBJNMABVIWOSRT-UHFFFAOYSA-N 2 0 226.295 1.485 20 0 BDADRP C[N@H+](CCC[NH3+])CCOc1ccccc1Cl ZINC000133218066 358749118 /nfs/dbraw/zinc/74/91/18/358749118.db2.gz VFOOQRHJWRVNDR-UHFFFAOYSA-N 2 0 242.750 1.999 20 0 BDADRP C[C@H](C[NH2+][C@H]1C[C@H](C)N(C2CC2)C1)N(C)C ZINC000133294185 358749794 /nfs/dbraw/zinc/74/97/94/358749794.db2.gz NAJIRSLXDSJTAR-TUAOUCFPSA-N 2 0 225.380 1.151 20 0 BDADRP COC(=O)c1ccc(C[N@H+](C)CCC[NH3+])cc1 ZINC000133730672 358766650 /nfs/dbraw/zinc/76/66/50/358766650.db2.gz MHCSNGGDEVFPKL-UHFFFAOYSA-N 2 0 236.315 1.254 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](CCCOc2ccccc2)C1 ZINC000050248095 358721933 /nfs/dbraw/zinc/72/19/33/358721933.db2.gz GALNRGZILARTED-ZDUSSCGKSA-N 2 0 234.343 1.736 20 0 BDADRP CC(C)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000132746294 358735448 /nfs/dbraw/zinc/73/54/48/358735448.db2.gz FORXAOJVNRKCHR-UHFFFAOYSA-N 2 0 226.364 1.629 20 0 BDADRP CC[C@H](C)[NH2+]C[C@@H](C)N1CC[NH+](CC)CC1 ZINC000053487598 358829539 /nfs/dbraw/zinc/82/95/39/358829539.db2.gz WXWPXTSNYOTVBL-QWHCGFSZSA-N 2 0 227.396 1.401 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000223527525 491136997 /nfs/dbraw/zinc/13/69/97/491136997.db2.gz UAAWHMNMUSWJBC-JSGCOSHPSA-N 2 0 242.407 1.857 20 0 BDADRP CCC(CC)(C[NH3+])C(=O)NCC[N@H+](C)C(C)C ZINC000054129015 358854489 /nfs/dbraw/zinc/85/44/89/358854489.db2.gz KAJXJLYNMMQTRN-UHFFFAOYSA-N 2 0 243.395 1.208 20 0 BDADRP CCC[NH+]1CCC(N[C@@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000400495796 358965894 /nfs/dbraw/zinc/96/58/94/358965894.db2.gz AWCHSKNKSVCZHJ-GXTWGEPZSA-N 2 0 239.407 1.591 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCc2ccco2)C1 ZINC000086402764 358967121 /nfs/dbraw/zinc/96/71/21/358967121.db2.gz PFZNHINKZSJQFR-WDEREUQCSA-N 2 0 208.305 1.682 20 0 BDADRP CCC(O)(CC)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000086404620 358968631 /nfs/dbraw/zinc/96/86/31/358968631.db2.gz OBTRJGACECRWAR-MNOVXSKESA-N 2 0 214.353 1.397 20 0 BDADRP C[C@H](C[NH2+][C@H](C)C1CC1)CN1CC[NH+](C)CC1 ZINC000177294227 134299287 /nfs/dbraw/zinc/29/92/87/134299287.db2.gz VCTICPWSKPFMSZ-CHWSQXEVSA-N 2 0 239.407 1.258 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCSC2)CC1(C)C ZINC000623432731 358946053 /nfs/dbraw/zinc/94/60/53/358946053.db2.gz HZPDDPQXSUUNPD-GHMZBOCLSA-N 2 0 228.405 1.954 20 0 BDADRP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423310949 192698059 /nfs/dbraw/zinc/69/80/59/192698059.db2.gz AZQMAPKJODONCM-YNEHKIRRSA-N 2 0 226.364 1.519 20 0 BDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H](CC)[NH+](C)C ZINC000247885312 359247049 /nfs/dbraw/zinc/24/70/49/359247049.db2.gz CXDNQKBAEVVXLY-NEPJUHHUSA-N 2 0 243.395 1.173 20 0 BDADRP C[N@@H+]1CCC[C@@H]2CN(Cc3cccnc3)CC[C@H]21 ZINC000248125932 359254238 /nfs/dbraw/zinc/25/42/38/359254238.db2.gz NXUFUDZLGRQDNG-HUUCEWRRSA-N 2 0 245.370 1.998 20 0 BDADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]C2CCC(O)CC2)CC1 ZINC000423415540 192749273 /nfs/dbraw/zinc/74/92/73/192749273.db2.gz ASOVEAWYMHWZDH-HXZBBRIXSA-N 2 0 240.391 1.645 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423431179 192767146 /nfs/dbraw/zinc/76/71/46/192767146.db2.gz LLLVYZPQRPUUPV-FPMFFAJLSA-N 3 0 239.407 1.482 20 0 BDADRP Cc1cc([C@@H](C)[NH2+][C@H](C)CCCC[NH3+])nn1C ZINC000423437045 192769590 /nfs/dbraw/zinc/76/95/90/192769590.db2.gz QGQGDHAFSHCRDI-ZYHUDNBSSA-N 2 0 238.379 1.897 20 0 BDADRP COC(C)(C)C[N@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000404298520 359455502 /nfs/dbraw/zinc/45/55/02/359455502.db2.gz FHPMFBSQHBLFEB-LLVKDONJSA-N 2 0 214.353 1.343 20 0 BDADRP CC[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000423480094 192788506 /nfs/dbraw/zinc/78/85/06/192788506.db2.gz MVIKJZQMFUMSDR-RDBSUJKOSA-N 3 0 239.407 1.639 20 0 BDADRP COC[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)C(C)C ZINC000423485760 192790641 /nfs/dbraw/zinc/79/06/41/192790641.db2.gz RVUQILADDGYHOC-CHWSQXEVSA-N 2 0 228.380 1.779 20 0 BDADRP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C1 ZINC000423492544 192794552 /nfs/dbraw/zinc/79/45/52/192794552.db2.gz NODGROTYBCBVJY-RQJABVFESA-N 2 0 240.391 1.779 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2cn[nH]c2)c2ccccc21 ZINC000379590274 359556653 /nfs/dbraw/zinc/55/66/53/359556653.db2.gz UCCZKBMLIXFBTN-KGLIPLIRSA-N 2 0 242.326 1.687 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)[C@H]1CCOC1 ZINC000163288906 202352124 /nfs/dbraw/zinc/35/21/24/202352124.db2.gz HLBSECYRTHQGMQ-IHRRRGAJSA-N 2 0 240.391 1.733 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOC2)CC1(C)C ZINC000623471313 359857186 /nfs/dbraw/zinc/85/71/86/359857186.db2.gz WTUPVUVOOVQWMB-WDEREUQCSA-N 2 0 212.337 1.238 20 0 BDADRP CC[C@@H](CO)[N@H+](C)CCC[NH+]1CCCCC1 ZINC000451156570 202368189 /nfs/dbraw/zinc/36/81/89/202368189.db2.gz FKAPMBHWXSBLQR-ZDUSSCGKSA-N 2 0 228.380 1.565 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](O)CC2)CC1(C)C ZINC000623471606 359876837 /nfs/dbraw/zinc/87/68/37/359876837.db2.gz HHBUMOXYGGLKED-AVGNSLFASA-N 2 0 240.391 1.752 20 0 BDADRP CCOCCC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000087325976 359907621 /nfs/dbraw/zinc/90/76/21/359907621.db2.gz ZWOUXSHTKSSSQM-AWEZNQCLSA-N 2 0 240.391 1.877 20 0 BDADRP Cc1nn(C)cc1[C@H](C)[NH2+]CCCC[NH+](C)C ZINC000087409642 359910739 /nfs/dbraw/zinc/91/07/39/359910739.db2.gz IVFXKKOHNWPPGQ-NSHDSACASA-N 2 0 238.379 1.721 20 0 BDADRP CCC(O)(CC)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000087014054 359893505 /nfs/dbraw/zinc/89/35/05/359893505.db2.gz UJEARPUOGDLSJJ-UHFFFAOYSA-N 2 0 242.407 2.000 20 0 BDADRP C(C[N@@H+]1CCC[C@@H]2CCC[C@H]21)N1CC[NH2+]CC1 ZINC000087771421 359926540 /nfs/dbraw/zinc/92/65/40/359926540.db2.gz XYLYITNETPZYED-UONOGXRCSA-N 2 0 237.391 1.156 20 0 BDADRP CC[NH2+]CCC[NH2+][C@@H](CC)[C@H]1CCOC1 ZINC000578878306 366664594 /nfs/dbraw/zinc/66/45/94/366664594.db2.gz MVPPFHXYENNXDS-RYUDHWBXSA-N 2 0 214.353 1.391 20 0 BDADRP CN(Cc1ccnn1C)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253797 360159055 /nfs/dbraw/zinc/15/90/55/360159055.db2.gz JRNVFYJYCOCGEM-GFCCVEGCSA-N 2 0 236.363 1.194 20 0 BDADRP COCCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000093452957 360245028 /nfs/dbraw/zinc/24/50/28/360245028.db2.gz KEBSFEDSDIKAQE-MJBXVCDLSA-N 2 0 240.391 1.923 20 0 BDADRP CCN(CC)C(=O)[C@H](C)N(C)CC(C)(C)C[NH3+] ZINC000093874380 360286227 /nfs/dbraw/zinc/28/62/27/360286227.db2.gz FCNAGQOINSJTHD-NSHDSACASA-N 2 0 243.395 1.160 20 0 BDADRP C[NH+]1CCC(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000093977892 360292573 /nfs/dbraw/zinc/29/25/73/360292573.db2.gz RUJRPWLDIOLMRT-ZIAGYGMSSA-N 2 0 237.391 1.297 20 0 BDADRP OC[C@H](Cc1ccccc1)[NH2+]CC1CC[NH2+]CC1 ZINC000094010473 360294473 /nfs/dbraw/zinc/29/44/73/360294473.db2.gz YGUPWTNKZYDFMZ-HNNXBMFYSA-N 2 0 248.370 1.179 20 0 BDADRP c1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c[nH]1 ZINC000094755097 360316823 /nfs/dbraw/zinc/31/68/23/360316823.db2.gz POERNKBEYIUTOD-QWHCGFSZSA-N 2 0 219.332 1.731 20 0 BDADRP CC(C)CC[C@H](C)[NH2+]CCN1CC[NH2+]CC1 ZINC000142360600 360502078 /nfs/dbraw/zinc/50/20/78/360502078.db2.gz QOLIGWDBDQXTIY-ZDUSSCGKSA-N 2 0 227.396 1.306 20 0 BDADRP NC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000093211105 181302896 /nfs/dbraw/zinc/30/28/96/181302896.db2.gz RBPQELAJXBXJSJ-CHWSQXEVSA-N 2 0 247.342 1.145 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000631198923 360760485 /nfs/dbraw/zinc/76/04/85/360760485.db2.gz MWFJXJAOOCQSCP-MGPQQGTHSA-N 2 0 240.391 1.754 20 0 BDADRP CCC[C@@H](CCO)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000631199386 360765039 /nfs/dbraw/zinc/76/50/39/360765039.db2.gz PUZFNLWDLAMSAG-QWHCGFSZSA-N 2 0 242.407 2.000 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C2CCC(C[NH3+])CC2)CO1 ZINC000335384380 219875514 /nfs/dbraw/zinc/87/55/14/219875514.db2.gz FSHSZJSRPJKZBI-HBIQZDMRSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@H]1[NH2+]CCN(CC[NH2+]C(C)(C)C)[C@@H]1C ZINC000414665372 200757266 /nfs/dbraw/zinc/75/72/66/200757266.db2.gz VETBSDHSLFUEQU-GHMZBOCLSA-N 2 0 213.369 1.057 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000156566273 360989843 /nfs/dbraw/zinc/98/98/43/360989843.db2.gz UAIXQRHKPYCGPB-BFHYXJOUSA-N 2 0 239.407 1.401 20 0 BDADRP Cc1ccc(C)c(C[NH2+]CC2([NH3+])CCOCC2)c1 ZINC000629389120 361035426 /nfs/dbraw/zinc/03/54/26/361035426.db2.gz YBNPSZNCXMPODA-UHFFFAOYSA-N 2 0 248.370 1.901 20 0 BDADRP C[C@H]1CCC[C@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629387556 361038704 /nfs/dbraw/zinc/03/87/04/361038704.db2.gz IXEKYKFVTOFJRT-WDEREUQCSA-N 2 0 212.337 1.273 20 0 BDADRP CC1CCC([NH2+]CC2([NH3+])CCOCC2)CC1 ZINC000629387304 361039244 /nfs/dbraw/zinc/03/92/44/361039244.db2.gz LJUWJVLBYFEGKO-UHFFFAOYSA-N 2 0 226.364 1.663 20 0 BDADRP C[C@@H](CC1CC1)[NH2+]CC1([NH3+])CCOCC1 ZINC000629388169 361039965 /nfs/dbraw/zinc/03/99/65/361039965.db2.gz NYZZFPSLDMBOMJ-JTQLQIEISA-N 2 0 212.337 1.273 20 0 BDADRP C[C@H]1CCC[C@H]([NH2+]CCOCCC[NH3+])C1 ZINC000629398874 361046655 /nfs/dbraw/zinc/04/66/55/361046655.db2.gz ZWAWMNRPBPHBBH-RYUDHWBXSA-N 2 0 214.353 1.520 20 0 BDADRP [NH3+]CCCOCC[NH2+]Cc1ccc(F)cc1 ZINC000629397735 361047756 /nfs/dbraw/zinc/04/77/56/361047756.db2.gz CBDGWDXIPPTGQH-UHFFFAOYSA-N 2 0 226.295 1.281 20 0 BDADRP CCC[C@@H](CC)[NH2+]CCOCCC[NH3+] ZINC000629398548 361049240 /nfs/dbraw/zinc/04/92/40/361049240.db2.gz FIUQAFVKGXCXBH-LLVKDONJSA-N 2 0 202.342 1.520 20 0 BDADRP CCc1cnc(C[NH2+]CCOCCC[NH3+])s1 ZINC000629399908 361050647 /nfs/dbraw/zinc/05/06/47/361050647.db2.gz LVZOGJFTCFISTG-UHFFFAOYSA-N 2 0 243.376 1.161 20 0 BDADRP [NH3+]CCCOCC[NH2+]Cc1cccc(F)c1F ZINC000629399508 361050878 /nfs/dbraw/zinc/05/08/78/361050878.db2.gz SNCSPOURPOBFGU-UHFFFAOYSA-N 2 0 244.285 1.420 20 0 BDADRP C[C@H]1CCCC[C@H]1C[NH2+]CCOCCC[NH3+] ZINC000629400544 361051715 /nfs/dbraw/zinc/05/17/15/361051715.db2.gz CZEKWLKMWYVSMP-STQMWFEESA-N 2 0 228.380 1.768 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000629401525 361051781 /nfs/dbraw/zinc/05/17/81/361051781.db2.gz CFXOJYKUBGEAGZ-FRRDWIJNSA-N 2 0 228.380 1.637 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)[C@@H](C[NH3+])C(C)C)c1 ZINC000424236604 200893977 /nfs/dbraw/zinc/89/39/77/200893977.db2.gz JERGWVLNDWQZJZ-ZDUSSCGKSA-N 2 0 249.358 1.623 20 0 BDADRP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)[C@@H]1CC1(C)C ZINC000629519234 361119164 /nfs/dbraw/zinc/11/91/64/361119164.db2.gz FDEDPELLXNYDCX-MNOVXSKESA-N 2 0 226.364 1.519 20 0 BDADRP C[C@]12C[C@H]1CCC[C@H]2[NH2+]CC1([NH3+])CCOCC1 ZINC000629519881 361120063 /nfs/dbraw/zinc/12/00/63/361120063.db2.gz ILQJTOUJRZGWFZ-UPJWGTAASA-N 2 0 238.375 1.663 20 0 BDADRP CCO[C@H](C[N@@H+]1CC[C@H](C[NH3+])C1)C1CC1 ZINC000629511916 361105738 /nfs/dbraw/zinc/10/57/38/361105738.db2.gz NJZRRDMHNVEJAS-ZYHUDNBSSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000629512529 361107023 /nfs/dbraw/zinc/10/70/23/361107023.db2.gz CRHBWPWWLQCXIE-RYUDHWBXSA-N 3 0 225.380 1.378 20 0 BDADRP CCO[C@@H](C[N@H+](C)CC(C)(C)C[NH3+])C1CC1 ZINC000629512930 361110267 /nfs/dbraw/zinc/11/02/67/361110267.db2.gz JOZYYKUDVFAQFE-LBPRGKRZSA-N 2 0 228.380 1.718 20 0 BDADRP CCC[C@H](C[NH2+][C@H](C)C1C[NH2+]C1)OCC ZINC000629515374 361112544 /nfs/dbraw/zinc/11/25/44/361112544.db2.gz QMQARVYDDHMVED-ZYHUDNBSSA-N 2 0 214.353 1.389 20 0 BDADRP CCO[C@H](C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C)C1CC1 ZINC000629516729 361115029 /nfs/dbraw/zinc/11/50/29/361115029.db2.gz OHXPUOZJFRUZRW-NTZNESFSSA-N 2 0 226.364 1.471 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000629528190 361133059 /nfs/dbraw/zinc/13/30/59/361133059.db2.gz RUDRBQDBGWZALI-FVCCEPFGSA-N 2 0 226.364 1.674 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000629528080 361135026 /nfs/dbraw/zinc/13/50/26/361135026.db2.gz OQUGYRVHOWRNJT-BYNSBNAKSA-N 2 0 245.370 1.861 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CCCc2ccccc21 ZINC000629529017 361138165 /nfs/dbraw/zinc/13/81/65/361138165.db2.gz PGMIHRNNNXCQLT-OAHLLOKOSA-N 2 0 248.370 1.890 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]CCOCC[NH2+]C)C1(C)C ZINC000629529904 361141480 /nfs/dbraw/zinc/14/14/80/361141480.db2.gz QEZZHPFZLDFBFC-NWDGAFQWSA-N 2 0 244.379 1.016 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000629530421 361144416 /nfs/dbraw/zinc/14/44/16/361144416.db2.gz GOWYBDMBBPNPOF-OLZOCXBDSA-N 2 0 246.370 1.730 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000629530325 361144429 /nfs/dbraw/zinc/14/44/29/361144429.db2.gz CQBSPJAJOPGZLF-OLZOCXBDSA-N 2 0 226.364 1.391 20 0 BDADRP Cc1ncccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000629532094 361151299 /nfs/dbraw/zinc/15/12/99/361151299.db2.gz LLJABDTUAKWRPJ-SOUVJXGZSA-N 2 0 245.370 1.868 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000629526249 361128027 /nfs/dbraw/zinc/12/80/27/361128027.db2.gz OAWPEPPYADSOLP-FPMFFAJLSA-N 3 0 239.407 1.447 20 0 BDADRP COC(=O)CC1([NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000578991625 366689062 /nfs/dbraw/zinc/68/90/62/366689062.db2.gz JRMUWAJNEYUZLZ-QWRGUYRKSA-N 2 0 240.347 1.060 20 0 BDADRP C[C@@H](CC[NH3+])NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000579006277 366694781 /nfs/dbraw/zinc/69/47/81/366694781.db2.gz XVQVKRMBOQMIDB-RYUDHWBXSA-N 2 0 241.379 1.104 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CC2(F)F)C1 ZINC000622043415 370674103 /nfs/dbraw/zinc/67/41/03/370674103.db2.gz AHLAWZJKVZRAOI-OPRDCNLKSA-N 2 0 218.291 1.891 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CC1(F)F)[C@@H]1CCC[NH2+]1 ZINC000622044018 370675415 /nfs/dbraw/zinc/67/54/15/370675415.db2.gz RXRHQXOXXRVJON-BBBLOLIVSA-N 2 0 218.291 1.762 20 0 BDADRP C[C@@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1CC(C)C1 ZINC000622044544 370677311 /nfs/dbraw/zinc/67/73/11/370677311.db2.gz KAEXDAKXVBWLPA-MMJCSWOSSA-N 2 0 226.364 1.374 20 0 BDADRP CC(C)[NH+]1CCC(NCC[C@H](C)[NH3+])CC1 ZINC000622045734 370680032 /nfs/dbraw/zinc/68/00/32/370680032.db2.gz SSWSJUHQJSPDKH-NSHDSACASA-N 2 0 213.369 1.186 20 0 BDADRP CC[C@@H](C(=O)N1CCC([NH3+])CC1)[NH+](CC)CC ZINC000428753105 201041220 /nfs/dbraw/zinc/04/12/20/201041220.db2.gz PIBCHGLJYKXCRX-LBPRGKRZSA-N 2 0 241.379 1.057 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000579354355 366768174 /nfs/dbraw/zinc/76/81/74/366768174.db2.gz VMVXHFWXAAPOGD-QWRGUYRKSA-N 2 0 238.379 1.854 20 0 BDADRP CCC[C@@H](C)[C@@H](CO)[NH2+]C1CCN(CC)CC1 ZINC000579363971 366771707 /nfs/dbraw/zinc/77/17/07/366771707.db2.gz NNTHQUISDPFTPX-TZMCWYRMSA-N 2 0 242.407 1.857 20 0 BDADRP [NH3+]CCCOCC[NH2+][C@@H]1CCCc2cccnc21 ZINC000629537940 361402444 /nfs/dbraw/zinc/40/24/44/361402444.db2.gz LVPQKRZSUOYJRL-CYBMUJFWSA-N 2 0 249.358 1.414 20 0 BDADRP C[C@@H](O)CCC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429560503 201115033 /nfs/dbraw/zinc/11/50/33/201115033.db2.gz ZHVXYBQCALZFQP-CHWSQXEVSA-N 2 0 228.380 1.564 20 0 BDADRP CC[C@H]([NH2+]CCOCCC[NH3+])[C@@H]1C[C@@H]1C ZINC000629541262 361415707 /nfs/dbraw/zinc/41/57/07/361415707.db2.gz XKCMYRRYKSTLJA-TUAOUCFPSA-N 2 0 214.353 1.376 20 0 BDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CC[NH2+][C@H]1C ZINC000629544270 361423399 /nfs/dbraw/zinc/42/33/99/361423399.db2.gz HEVUVWYCWDGWNG-XJFOESAGSA-N 2 0 239.407 1.637 20 0 BDADRP C[NH2+]CCC[NH+]1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000629545889 361426789 /nfs/dbraw/zinc/42/67/89/361426789.db2.gz AMWQSKGITBRJGG-NXEZZACHSA-N 2 0 220.307 1.819 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000629547438 361430401 /nfs/dbraw/zinc/43/04/01/361430401.db2.gz JTXZTLGODVXXIV-XDQVBPFNSA-N 2 0 238.375 1.661 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc[nH]c1=O ZINC000629547491 361430460 /nfs/dbraw/zinc/43/04/60/361430460.db2.gz TXXBQVBSUCZVDT-ONGXEEELSA-N 2 0 221.304 1.004 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc[nH]c1=O ZINC000629547488 361430631 /nfs/dbraw/zinc/43/06/31/361430631.db2.gz TXXBQVBSUCZVDT-MWLCHTKSSA-N 2 0 221.304 1.004 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc[nH]c2=O)C1 ZINC000629548860 361434078 /nfs/dbraw/zinc/43/40/78/361434078.db2.gz ZUUWUKJWOXBMMT-QWRGUYRKSA-N 2 0 221.304 1.147 20 0 BDADRP COCCC1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000629554356 361441630 /nfs/dbraw/zinc/44/16/30/361441630.db2.gz ZMCRYUXRLDYJFR-ZDUSSCGKSA-N 2 0 226.364 1.344 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000629549973 361443305 /nfs/dbraw/zinc/44/33/05/361443305.db2.gz UMQQSSRYKSDPSC-RTXFEEFZSA-N 2 0 226.364 1.661 20 0 BDADRP CN1CCC[C@H]1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000629551816 361444292 /nfs/dbraw/zinc/44/42/92/361444292.db2.gz XTCSEBDHTWAFJC-AVGNSLFASA-N 2 0 225.380 1.188 20 0 BDADRP CN(CC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])CC(F)F ZINC000629556414 361449908 /nfs/dbraw/zinc/44/99/08/361449908.db2.gz PBMSGHQDXZATIX-WDEREUQCSA-N 2 0 249.349 1.433 20 0 BDADRP C[C@H]([NH2+]CCOCCC[NH3+])c1ccccn1 ZINC000629542316 361418949 /nfs/dbraw/zinc/41/89/49/361418949.db2.gz YEZYBDJQHGCGFJ-NSHDSACASA-N 2 0 223.320 1.098 20 0 BDADRP CC(C)OCCN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584134 361468705 /nfs/dbraw/zinc/46/87/05/361468705.db2.gz LXKJNIHCNYJKIS-BETUJISGSA-N 2 0 226.364 1.343 20 0 BDADRP C/C=C/C[C@@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000629595552 361481935 /nfs/dbraw/zinc/48/19/35/361481935.db2.gz SCWMEBMKVUNXFC-YWVDXFKGSA-N 2 0 226.364 1.640 20 0 BDADRP CC[C@H](C(=O)Nc1cccc(C[NH3+])c1)[NH+](C)C ZINC000629610986 361500620 /nfs/dbraw/zinc/50/06/20/361500620.db2.gz KYXIKETZEGZLJG-GFCCVEGCSA-N 2 0 235.331 1.424 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccn(C)c2)CC[C@@H]1[NH3+] ZINC000629651791 361557578 /nfs/dbraw/zinc/55/75/78/361557578.db2.gz JQASNMREZQSPGR-PWSUYJOCSA-N 2 0 207.321 1.194 20 0 BDADRP CC(C)CCC[NH2+]CC1([NH3+])CCOCC1 ZINC000629655082 361558886 /nfs/dbraw/zinc/55/88/86/361558886.db2.gz QLSNQAYUPMNTKL-UHFFFAOYSA-N 2 0 214.353 1.520 20 0 BDADRP Cc1cnccc1C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000629647778 361537644 /nfs/dbraw/zinc/53/76/44/361537644.db2.gz IRGZOKXKGRRSKN-CQSZACIVSA-N 2 0 233.359 1.869 20 0 BDADRP COCc1ccc(CNCC(C)(C)[NH3+])o1 ZINC000629647697 361538122 /nfs/dbraw/zinc/53/81/22/361538122.db2.gz FEWMSXNQNRAHKY-UHFFFAOYSA-N 2 0 212.293 1.253 20 0 BDADRP C[C@H]1CC[N@H+](CC2=CCCOC2)C[C@@H]1C[NH3+] ZINC000629648565 361540483 /nfs/dbraw/zinc/54/04/83/361540483.db2.gz RBHWPXBGKKKSGC-AAEUAGOBSA-N 2 0 224.348 1.250 20 0 BDADRP Cn1ccc(C[NH2+][C@H](CN)C2CCCC2)c1 ZINC000629648202 361540524 /nfs/dbraw/zinc/54/05/24/361540524.db2.gz HOHQIIWOBGHAMX-CYBMUJFWSA-N 2 0 221.348 1.632 20 0 BDADRP C1=C(C[NH2+]CCC[C@H]2CCC[NH2+]2)COCC1 ZINC000629649307 361544355 /nfs/dbraw/zinc/54/43/55/361544355.db2.gz PCYLQRIHJDOHOT-ZDUSSCGKSA-N 2 0 224.348 1.455 20 0 BDADRP Cn1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000629649343 361544994 /nfs/dbraw/zinc/54/49/94/361544994.db2.gz QFZBTBDQANBWMZ-LBPRGKRZSA-N 2 0 207.321 1.257 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccn(C)c1 ZINC000629649707 361546165 /nfs/dbraw/zinc/54/61/65/361546165.db2.gz ZZAFQSZVPFAVBL-PWSUYJOCSA-N 2 0 207.321 1.113 20 0 BDADRP [NH3+]CC1CC[NH+](CC2=CCCOC2)CC1 ZINC000629652158 361549444 /nfs/dbraw/zinc/54/94/44/361549444.db2.gz XDGLGZLKQQQMDU-UHFFFAOYSA-N 2 0 210.321 1.004 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](CC2=CCCOC2)C1 ZINC000629652049 361550141 /nfs/dbraw/zinc/55/01/41/361550141.db2.gz UIPAMQPZPRFGEF-LBPRGKRZSA-N 2 0 224.348 1.265 20 0 BDADRP CC[C@@H]1C[N@H+](Cc2ccn(C)c2)CC[C@@H]1[NH3+] ZINC000629652196 361550191 /nfs/dbraw/zinc/55/01/91/361550191.db2.gz XSIAAQMVYWYOBQ-OLZOCXBDSA-N 2 0 221.348 1.584 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccn(C)c2)C1 ZINC000629652016 361550410 /nfs/dbraw/zinc/55/04/10/361550410.db2.gz SMRINGNBAKYAMF-DGCLKSJQSA-N 2 0 221.348 1.584 20 0 BDADRP Cn1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000629651895 361557116 /nfs/dbraw/zinc/55/71/16/361557116.db2.gz NRVMEMOMTJJVCG-HNNXBMFYSA-N 2 0 247.386 1.989 20 0 BDADRP CC(C)(C)CC[NH2+]CCOCCC[NH3+] ZINC000629679768 361601455 /nfs/dbraw/zinc/60/14/55/361601455.db2.gz OJZCMRIDOMFSOR-UHFFFAOYSA-N 2 0 202.342 1.378 20 0 BDADRP CC(C)C[C@@H](C)C[NH2+]CCOCCC[NH3+] ZINC000629680443 361601896 /nfs/dbraw/zinc/60/18/96/361601896.db2.gz QTXODCCPBQNILS-GFCCVEGCSA-N 2 0 216.369 1.624 20 0 BDADRP CC[C@H](C)[C@H](C)[NH2+]CCC[N@H+](C)CCOC ZINC000153730888 201246831 /nfs/dbraw/zinc/24/68/31/201246831.db2.gz HPJDMHYVFBPBOM-STQMWFEESA-N 2 0 230.396 1.979 20 0 BDADRP C[C@H]([NH3+])CCC(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000434688711 201234282 /nfs/dbraw/zinc/23/42/82/201234282.db2.gz OYMADRABRCXYAR-UWVGGRQHSA-N 2 0 235.331 1.772 20 0 BDADRP [NH3+]C1CCC([NH2+]Cc2cccnc2)CC1 ZINC000051692931 181341234 /nfs/dbraw/zinc/34/12/34/181341234.db2.gz ICZUYTKVOMHSDO-UHFFFAOYSA-N 2 0 205.305 1.441 20 0 BDADRP c1cc2c(cc1C1=CC[NH2+]CC1)CC[NH2+]C2 ZINC000629724134 361664708 /nfs/dbraw/zinc/66/47/08/361664708.db2.gz YGFXBYUVCAVQDF-UHFFFAOYSA-N 2 0 214.312 1.709 20 0 BDADRP c1cc(C2=CC[NH2+]CC2)cc([C@@H]2COCC[NH2+]2)c1 ZINC000629723597 361665512 /nfs/dbraw/zinc/66/55/12/361665512.db2.gz QCSNAHPSJFQPED-HNNXBMFYSA-N 2 0 244.338 1.724 20 0 BDADRP [NH3+][C@@H](CO)c1cccc(C2=CC[NH2+]CC2)c1 ZINC000629723871 361665978 /nfs/dbraw/zinc/66/59/78/361665978.db2.gz SQEIDEYEBWKDED-ZDUSSCGKSA-N 2 0 218.300 1.055 20 0 BDADRP CC(C)[C@H](C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000154942182 201300190 /nfs/dbraw/zinc/30/01/90/201300190.db2.gz GSKRGEDMAZRSQY-OLZOCXBDSA-N 2 0 227.396 1.256 20 0 BDADRP [NH3+]C1CCC([NH2+][C@@H]2CCN3CCCC[C@@H]23)CC1 ZINC000094079171 181342739 /nfs/dbraw/zinc/34/27/39/181342739.db2.gz JQGWLUJHJUMXGQ-PQAZSJQKSA-N 2 0 237.391 1.473 20 0 BDADRP [NH3+]C1CCC([NH2+][C@@H]2CCCSC2)CC1 ZINC000061589529 181342794 /nfs/dbraw/zinc/34/27/94/181342794.db2.gz RVGOHYXAIMQABV-VQXHTEKXSA-N 2 0 214.378 1.742 20 0 BDADRP C[NH2+]CCCN1CCC[N@@H+](C2CCCC2)CC1 ZINC000435886324 201295415 /nfs/dbraw/zinc/29/54/15/201295415.db2.gz WCSIGYMDXHZHFO-UHFFFAOYSA-N 2 0 239.407 1.546 20 0 BDADRP CCOC(C)(C)C[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000437095048 201343260 /nfs/dbraw/zinc/34/32/60/201343260.db2.gz JKDAPOXMBWINIA-YPMHNXCESA-N 2 0 240.391 1.874 20 0 BDADRP CCC[C@H](O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000450281616 201347797 /nfs/dbraw/zinc/34/77/97/201347797.db2.gz CWAFDJGPNHYHBX-AWEZNQCLSA-N 2 0 242.407 1.811 20 0 BDADRP CC(C)N(C)CC[NH2+][C@@H](C)C1CCOCC1 ZINC000155794110 201353173 /nfs/dbraw/zinc/35/31/73/201353173.db2.gz GPVNXXCIZGPVIK-LBPRGKRZSA-N 2 0 228.380 1.731 20 0 BDADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CCC[NH3+] ZINC000437805196 201376718 /nfs/dbraw/zinc/37/67/18/201376718.db2.gz WRAYFNBBZQBSBC-LBPRGKRZSA-N 2 0 249.358 1.651 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@H]2CCOC2(C)C)CC1 ZINC000328253836 363867061 /nfs/dbraw/zinc/86/70/61/363867061.db2.gz PLBUCZKAMWBOHF-GFCCVEGCSA-N 2 0 226.364 1.485 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@@]2(O)CCC[C@@H]2C)CC1 ZINC000328135321 363848259 /nfs/dbraw/zinc/84/82/59/363848259.db2.gz XXPGVJIYXGZWHU-JSGCOSHPSA-N 2 0 240.391 1.611 20 0 BDADRP CCC[C@H]([NH3+])c1cn(-c2cccc(C[NH3+])c2)nn1 ZINC000630608223 364334144 /nfs/dbraw/zinc/33/41/44/364334144.db2.gz WBIVCLKEUPBUSQ-LBPRGKRZSA-N 2 0 245.330 1.526 20 0 BDADRP C[C@H]1OCC[C@H]1[NH2+]CCCC[NH+](C)C ZINC000134027296 364383929 /nfs/dbraw/zinc/38/39/29/364383929.db2.gz CDCMRYPNLWFVII-GHMZBOCLSA-N 2 0 200.326 1.095 20 0 BDADRP [NH3+]CC1CCC([NH2+]C[C@H](O)C2CCC2)CC1 ZINC000332438770 181363423 /nfs/dbraw/zinc/36/34/23/181363423.db2.gz DGIGKPHOBAMJQQ-GDKBPFBDSA-N 2 0 226.364 1.255 20 0 BDADRP [NH3+]CC1CC[NH+](C[C@H]2CCSC2)CC1 ZINC000224609778 181365466 /nfs/dbraw/zinc/36/54/66/181365466.db2.gz VWYMEWBDLVUWMV-LLVKDONJSA-N 2 0 214.378 1.410 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000453397110 202759951 /nfs/dbraw/zinc/75/99/51/202759951.db2.gz ZBQAVAXCPQCMDF-YVECIDJPSA-N 2 0 226.364 1.077 20 0 BDADRP [NH3+]CCC(=O)NCCCCC[NH+]1CCCCC1 ZINC000237856481 181368116 /nfs/dbraw/zinc/36/81/16/181368116.db2.gz FMGFCNRPKNVFJP-UHFFFAOYSA-N 2 0 241.379 1.108 20 0 BDADRP CC(C)[NH+]1CCC(N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000399006862 364693557 /nfs/dbraw/zinc/69/35/57/364693557.db2.gz YZNQUSGRPZFMCH-OCCSQVGLSA-N 2 0 239.407 1.589 20 0 BDADRP CC[NH2+]CCCN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000573315693 364795552 /nfs/dbraw/zinc/79/55/52/364795552.db2.gz SGHSHNBSTSLWTF-NEPJUHHUSA-N 2 0 213.369 1.093 20 0 BDADRP C[C@@H](O)CC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000167748067 364807214 /nfs/dbraw/zinc/80/72/14/364807214.db2.gz PPZQKVVHIZJQAA-LLVKDONJSA-N 2 0 228.380 1.610 20 0 BDADRP C[C@@H](O)CC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000167740859 364807336 /nfs/dbraw/zinc/80/73/36/364807336.db2.gz AJCZZXZBAJNCMJ-LLVKDONJSA-N 2 0 226.364 1.221 20 0 BDADRP [NH3+]CCC1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000042427721 181371203 /nfs/dbraw/zinc/37/12/03/181371203.db2.gz IJMGBYZLNKHXDQ-CYBMUJFWSA-N 2 0 226.364 1.616 20 0 BDADRP [NH3+]C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)C1CCCCC1 ZINC000573742439 364907868 /nfs/dbraw/zinc/90/78/68/364907868.db2.gz VFLYYESULPKSRJ-MJBXVCDLSA-N 2 0 239.407 1.754 20 0 BDADRP C[NH2+]Cc1ccccc1NC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000573723931 364902693 /nfs/dbraw/zinc/90/26/93/364902693.db2.gz HGZOSLYYLOVMKU-ZYHUDNBSSA-N 2 0 247.342 1.343 20 0 BDADRP C(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)[C@H]1CC[NH2+]C1 ZINC000335007730 541419448 /nfs/dbraw/zinc/41/94/48/541419448.db2.gz IQOXLROMUQNURM-ZIAGYGMSSA-N 3 0 237.391 1.062 20 0 BDADRP [NH3+]CCCC[NH2+]C1Cc2ccccc2C1 ZINC000037715325 181377428 /nfs/dbraw/zinc/37/74/28/181377428.db2.gz IJFCWJFYSBUYLX-UHFFFAOYSA-N 2 0 204.317 1.482 20 0 BDADRP [NH3+]CCCC[NH2+]Cc1cccc2c1OCO2 ZINC000037715329 181377803 /nfs/dbraw/zinc/37/78/03/181377803.db2.gz AZYOHDSCSHLUJW-UHFFFAOYSA-N 2 0 222.288 1.244 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@H](F)C1)[C@H]1CCC[NH2+]1 ZINC000574084071 364979922 /nfs/dbraw/zinc/97/99/22/364979922.db2.gz SRWCPVOTBCEITE-NNYUYHANSA-N 2 0 214.328 1.997 20 0 BDADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCCC[C@H](C)C1 ZINC000574164481 364999510 /nfs/dbraw/zinc/99/95/10/364999510.db2.gz LHTVZHUHPLGZFW-NWDGAFQWSA-N 2 0 214.353 1.079 20 0 BDADRP [NH3+]CCCN1CCC[N@@H+](C2CCCC2)CC1 ZINC000037038118 181381276 /nfs/dbraw/zinc/38/12/76/181381276.db2.gz RZRKBVZHTQSDKP-UHFFFAOYSA-N 2 0 225.380 1.286 20 0 BDADRP C[C@H]1COCCN1CCCc1cncn1C ZINC000574463002 365067877 /nfs/dbraw/zinc/06/78/77/365067877.db2.gz NLYSQDBEFFTKNM-NSHDSACASA-N 2 0 223.320 1.073 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000442928012 193004834 /nfs/dbraw/zinc/00/48/34/193004834.db2.gz PAWYIXSTWLJVJQ-QWHCGFSZSA-N 2 0 225.380 1.047 20 0 BDADRP CC(C)OC1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000575123407 365212635 /nfs/dbraw/zinc/21/26/35/365212635.db2.gz GTRDQFJUWRJVKX-CYBMUJFWSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCC[C@H]1O ZINC000379889464 365337694 /nfs/dbraw/zinc/33/76/94/365337694.db2.gz ZPMVCNVVMSGOSS-IJLUTSLNSA-N 2 0 214.353 1.397 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000575924946 365416629 /nfs/dbraw/zinc/41/66/29/365416629.db2.gz ZVWXPTBVEGDUFQ-LOWVWBTDSA-N 2 0 249.358 1.319 20 0 BDADRP CC[NH+](CC)CCOCC[NH2+]C1CSC1 ZINC000379949747 541459834 /nfs/dbraw/zinc/45/98/34/541459834.db2.gz SMBCDARYWMNBJX-UHFFFAOYSA-N 2 0 232.393 1.050 20 0 BDADRP COCCC[N@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000576097078 365481843 /nfs/dbraw/zinc/48/18/43/365481843.db2.gz GRDCGPMOYXGZDH-NWDGAFQWSA-N 2 0 212.337 1.191 20 0 BDADRP CC(C)[C@H](C(=O)NCC[NH2+]C(C)(C)C)[C@@H](C)[NH3+] ZINC000579709578 366986756 /nfs/dbraw/zinc/98/67/56/366986756.db2.gz WZCNRHBITOUCOT-MNOVXSKESA-N 2 0 243.395 1.110 20 0 BDADRP C[NH+](C)CC[C@H]([NH2+]CC1(O)CCC1)C(C)(C)C ZINC000581305439 367333659 /nfs/dbraw/zinc/33/36/59/367333659.db2.gz IRDOPAKBDVLFIY-LBPRGKRZSA-N 2 0 242.407 1.857 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1C ZINC000381053202 367343437 /nfs/dbraw/zinc/34/34/37/367343437.db2.gz IMBHQSGNHAZSJF-YNEHKIRRSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@@H](C[NH+](C)C)NCc1c[nH+]ccc1N(C)C ZINC000581202310 367294366 /nfs/dbraw/zinc/29/43/66/367294366.db2.gz LZSMBRSBKLOZQL-NSHDSACASA-N 2 0 236.363 1.187 20 0 BDADRP C[C@@H](C(=O)Nc1cccc2c1CC[NH2+]C2)[C@H](C)[NH3+] ZINC000581418799 367461107 /nfs/dbraw/zinc/46/11/07/367461107.db2.gz ZTLRDAWRPHTSSN-ZJUUUORDSA-N 2 0 247.342 1.254 20 0 BDADRP CCC[NH+]1CCC(NCCC[NH2+]C2CC2)CC1 ZINC000382544821 367535675 /nfs/dbraw/zinc/53/56/75/367535675.db2.gz YGLOERLTPGTWHU-UHFFFAOYSA-N 2 0 239.407 1.593 20 0 BDADRP C[C@H]([NH2+]CCC[NH2+]C1CC1)[C@H]1CCCO1 ZINC000382548458 367535773 /nfs/dbraw/zinc/53/57/73/367535773.db2.gz BJCGSNZKFXMSBH-CMPLNLGQSA-N 2 0 212.337 1.286 20 0 BDADRP CC[NH+]1CCC(NCCC[NH2+]C2CC2)CC1 ZINC000382559478 367540144 /nfs/dbraw/zinc/54/01/44/367540144.db2.gz QIZOHJBDPCDOMR-UHFFFAOYSA-N 2 0 225.380 1.202 20 0 BDADRP C[C@@H]1C[C@H](NCCC[NH2+]C2CC2)CC[N@@H+]1C ZINC000382578449 367544256 /nfs/dbraw/zinc/54/42/56/367544256.db2.gz IMPIUHCNOMYUFQ-DGCLKSJQSA-N 2 0 225.380 1.201 20 0 BDADRP C[NH2+]CCSCC[C@H]1CCC[NH2+]C1 ZINC000382650716 367550664 /nfs/dbraw/zinc/55/06/64/367550664.db2.gz YQKXNNARHWCROT-SNVBAGLBSA-N 2 0 202.367 1.329 20 0 BDADRP C[C@@H](O)[C@@H](C)[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000581603416 367627673 /nfs/dbraw/zinc/62/76/73/367627673.db2.gz WHAJSVSLGXFFGU-OKZRHMCRSA-N 2 0 228.380 1.466 20 0 BDADRP CCN1CC[C@H]([NH2+]Cc2cccc(O)c2)C1 ZINC000383967544 367664008 /nfs/dbraw/zinc/66/40/08/367664008.db2.gz PVMCWANWEATKMC-LBPRGKRZSA-N 2 0 220.316 1.576 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccccc2CO)C1 ZINC000581677686 367705790 /nfs/dbraw/zinc/70/57/90/367705790.db2.gz JWUZXAQMRWJXCC-KGLIPLIRSA-N 2 0 234.343 1.538 20 0 BDADRP CC[C@@H]1[C@H](C)CC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000384018450 367667707 /nfs/dbraw/zinc/66/77/07/367667707.db2.gz QIVWNQJMKYXPMH-CHWSQXEVSA-N 2 0 225.380 1.012 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cccc(O)c1 ZINC000383990678 367667791 /nfs/dbraw/zinc/66/77/91/367667791.db2.gz USPPZTPGSIEOHJ-NSHDSACASA-N 2 0 222.332 1.999 20 0 BDADRP Oc1cccc(CNC[C@H]2CCC[NH2+]C2)c1 ZINC000384004786 367668578 /nfs/dbraw/zinc/66/85/78/367668578.db2.gz WXYIHZHETRPORL-LBPRGKRZSA-N 2 0 220.316 1.481 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)[C@H](C)O1 ZINC000384749390 367725930 /nfs/dbraw/zinc/72/59/30/367725930.db2.gz MNIXROADKXUCFV-RHYQMDGZSA-N 2 0 212.337 1.142 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000384827120 367737492 /nfs/dbraw/zinc/73/74/92/367737492.db2.gz XHEGOQHYESFKBN-WRWGMCAJSA-N 2 0 214.353 1.659 20 0 BDADRP Cc1cnccc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000384910888 367756419 /nfs/dbraw/zinc/75/64/19/367756419.db2.gz BVIJSEVGJPSDRB-RISCZKNCSA-N 2 0 233.359 1.807 20 0 BDADRP Cc1cnccc1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000384926897 367759241 /nfs/dbraw/zinc/75/92/41/367759241.db2.gz GORMGALXVQRTNW-UHFFFAOYSA-N 2 0 221.348 1.807 20 0 BDADRP Cc1cnccc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000385027909 367774017 /nfs/dbraw/zinc/77/40/17/367774017.db2.gz JSUVIYMKACWBCN-KKUMJFAQSA-N 2 0 245.370 1.949 20 0 BDADRP Cc1cnccc1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000385050519 367778698 /nfs/dbraw/zinc/77/86/98/367778698.db2.gz QPWQHCKLPGHKCH-CYBMUJFWSA-N 2 0 219.332 1.561 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@@H](C)O1 ZINC000385141593 367801000 /nfs/dbraw/zinc/80/10/00/367801000.db2.gz MCMYBBJUXQJKEO-JRBXHMHVSA-N 2 0 238.375 1.767 20 0 BDADRP CC[NH+]1CCC(N[C@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000386067854 367908093 /nfs/dbraw/zinc/90/80/93/367908093.db2.gz YXSJAKQLQLLDLB-TZMCWYRMSA-N 2 0 239.407 1.591 20 0 BDADRP CC[NH+]1CCC(N[C@@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000386067847 367908747 /nfs/dbraw/zinc/90/87/47/367908747.db2.gz YXSJAKQLQLLDLB-GXTWGEPZSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@H](CO)C1)[C@H]1CCCC[NH2+]1 ZINC000385956253 367889854 /nfs/dbraw/zinc/88/98/54/367889854.db2.gz DMIXETXWUMXWIN-IGQOVBAYSA-N 2 0 240.391 1.658 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CO[C@H](C)C2)[C@H](C)C1 ZINC000566216246 326016339 /nfs/dbraw/zinc/01/63/39/326016339.db2.gz XDIOLUBRNQEHKK-NDBYEHHHSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@H](CCO)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386540714 367989462 /nfs/dbraw/zinc/98/94/62/367989462.db2.gz DDWRETFWZNALNQ-GRYCIOLGSA-N 2 0 214.353 1.125 20 0 BDADRP C[C@@H]([NH2+]CCC[C@H](C)O)[C@H]1CCCC[NH2+]1 ZINC000386554833 367990144 /nfs/dbraw/zinc/99/01/44/367990144.db2.gz HSCUBWNSOWLDLL-QJPTWQEYSA-N 2 0 214.353 1.268 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC[C@H](O)C1)[C@H]1CCCC[NH2+]1 ZINC000386446007 367974510 /nfs/dbraw/zinc/97/45/10/367974510.db2.gz NJMXNJXKCAJSPR-QNWHQSFQSA-N 2 0 226.364 1.268 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386451802 367976154 /nfs/dbraw/zinc/97/61/54/367976154.db2.gz OBZUTOYEMXCVDE-UONOGXRCSA-N 2 0 241.423 1.837 20 0 BDADRP CC(C)[N@H+](C)CCN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386620914 368003568 /nfs/dbraw/zinc/00/35/68/368003568.db2.gz YEGPHOPVBTWZRV-OLZOCXBDSA-N 2 0 227.396 1.447 20 0 BDADRP C[C@H]([NH2+]CC(C)(C)CCCO)[C@H]1CCCC[NH2+]1 ZINC000386518712 367984302 /nfs/dbraw/zinc/98/43/02/367984302.db2.gz YJKHEHMIZJQKHD-QWHCGFSZSA-N 2 0 242.407 1.905 20 0 BDADRP C[C@@H]1CCCC[C@@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000022792814 367985495 /nfs/dbraw/zinc/98/54/95/367985495.db2.gz JEMDMFYDGKRQSR-OLZOCXBDSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@H]2CC[C@@H](C)O2)C1 ZINC000252775086 368061496 /nfs/dbraw/zinc/06/14/96/368061496.db2.gz JYTSSSUCOZXTHI-WRWGMCAJSA-N 2 0 212.337 1.223 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@H]2CCCCO2)C1 ZINC000252789154 368062878 /nfs/dbraw/zinc/06/28/78/368062878.db2.gz RKIAOQOSBHUMED-QJPTWQEYSA-N 2 0 212.337 1.225 20 0 BDADRP C[C@@H](c1cnccn1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000386696301 368010994 /nfs/dbraw/zinc/01/09/94/368010994.db2.gz OXVGPGCPZNJILJ-RWMBFGLXSA-N 2 0 246.358 1.469 20 0 BDADRP CC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)[C@@H](C)O ZINC000386760873 368019252 /nfs/dbraw/zinc/01/92/52/368019252.db2.gz IIJYJGIUSDBLTN-DGCLKSJQSA-N 2 0 228.380 1.608 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@H]12)[C@@H]1CCC[NH2+]C1 ZINC000581997171 368098430 /nfs/dbraw/zinc/09/84/30/368098430.db2.gz FNXQXMHGRHYGOA-MRTXSQPYSA-N 2 0 238.375 1.532 20 0 BDADRP C[NH+]1CCC(O)(C[NH2+]C2CCCCC2)CC1 ZINC000059161761 368530058 /nfs/dbraw/zinc/53/00/58/368530058.db2.gz QGAVNMNPPIWKSK-UHFFFAOYSA-N 2 0 226.364 1.365 20 0 BDADRP CC[NH+](CC)CC(=O)NCCC[N@H+](C)C(C)C ZINC000063737995 368595874 /nfs/dbraw/zinc/59/58/74/368595874.db2.gz AKFWCIKETFVARC-UHFFFAOYSA-N 2 0 243.395 1.175 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCOC2CCCC2)C1 ZINC000086404271 368881369 /nfs/dbraw/zinc/88/13/69/368881369.db2.gz BZYOZARDSSUSDY-NEPJUHHUSA-N 2 0 226.364 1.805 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H]2CCO[C@H]2C)C1 ZINC000631821748 368974572 /nfs/dbraw/zinc/97/45/72/368974572.db2.gz HYNWUVIMRGDYNC-RVMXOQNASA-N 2 0 226.364 1.471 20 0 BDADRP Cc1nccnc1CN1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000631828103 368997152 /nfs/dbraw/zinc/99/71/52/368997152.db2.gz FFRARBWAOFCEJZ-MDZLAQPJSA-N 2 0 248.374 1.590 20 0 BDADRP COCC(C)(C)C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623657116 368997897 /nfs/dbraw/zinc/99/78/97/368997897.db2.gz KBCYJHZTEHMYSH-ZDUSSCGKSA-N 2 0 242.407 1.981 20 0 BDADRP C[C@@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000567646071 326238071 /nfs/dbraw/zinc/23/80/71/326238071.db2.gz SAYXFQZCFAKYDU-PRULPYPASA-N 2 0 226.364 1.673 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCC[C@H]2O)[C@@H](C)C1 ZINC000459601491 203313289 /nfs/dbraw/zinc/31/32/89/203313289.db2.gz XEJNGIGRZMELJT-UMSGYPCISA-N 2 0 226.364 1.220 20 0 BDADRP C[C@H]([NH3+])CCC(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000404893379 369438488 /nfs/dbraw/zinc/43/84/88/369438488.db2.gz RVWRELNQMQWJEP-NWDGAFQWSA-N 2 0 241.379 1.057 20 0 BDADRP CCOC[C@H](C)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459744942 203349376 /nfs/dbraw/zinc/34/93/76/203349376.db2.gz YHIOPOJZWAZBRZ-QWHCGFSZSA-N 2 0 228.380 1.733 20 0 BDADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2CCOC2)C1 ZINC000459729274 203343651 /nfs/dbraw/zinc/34/36/51/203343651.db2.gz IWQPXXKRRPNWGL-RYUDHWBXSA-N 2 0 212.337 1.097 20 0 BDADRP C=Cn1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000459730622 203344475 /nfs/dbraw/zinc/34/44/75/203344475.db2.gz DYTGEEMTWZGEBY-ZDUSSCGKSA-N 2 0 248.374 1.805 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)C1CC1 ZINC000165305550 203382351 /nfs/dbraw/zinc/38/23/51/203382351.db2.gz SJQUJMFLEGTENF-NWDGAFQWSA-N 2 0 225.380 1.010 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)[C@H]1CCOC1 ZINC000459794887 203369337 /nfs/dbraw/zinc/36/93/37/203369337.db2.gz UVRQVLFAZZZKNE-IHRRRGAJSA-N 2 0 240.391 1.733 20 0 BDADRP COCCC[NH+]1CCN(c2cc(C)ccn2)CC1 ZINC000166314657 203388451 /nfs/dbraw/zinc/38/84/51/203388451.db2.gz ISJKZQXLBPGASZ-UHFFFAOYSA-N 2 0 249.358 1.549 20 0 BDADRP CCC(C)(C)CC[NH+]1CCC([NH2+]CCO)CC1 ZINC000631862509 369544962 /nfs/dbraw/zinc/54/49/62/369544962.db2.gz QGEDLRZWVABEJP-UHFFFAOYSA-N 2 0 242.407 1.859 20 0 BDADRP CCC[N@H+](C)CC(C)(C)NC(=O)[C@H](C)[NH+](C)C ZINC000620623208 369967676 /nfs/dbraw/zinc/96/76/76/369967676.db2.gz LVXSVAKSZJJTFA-NSHDSACASA-N 2 0 243.395 1.173 20 0 BDADRP CCn1nccc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252979704 370144063 /nfs/dbraw/zinc/14/40/63/370144063.db2.gz JBSDDOPVLWJQGE-UBHSHLNASA-N 2 0 248.374 1.462 20 0 BDADRP CC(C)(CC[NH3+])NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621665111 370417939 /nfs/dbraw/zinc/41/79/39/370417939.db2.gz QSVDIUKFRSQLLT-LLVKDONJSA-N 2 0 241.379 1.010 20 0 BDADRP [NH3+][C@]12CCC[C@@H]1C[N@H+](CC[C@H]1CCCCO1)C2 ZINC000621784751 370537065 /nfs/dbraw/zinc/53/70/65/370537065.db2.gz ULOIFBVVUPLEFZ-MCIONIFRSA-N 2 0 238.375 1.759 20 0 BDADRP CCn1nccc1CC[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000621774928 370521456 /nfs/dbraw/zinc/52/14/56/370521456.db2.gz AKXITLUIAXCIIR-RYUDHWBXSA-N 2 0 236.363 1.115 20 0 BDADRP C[C@H](c1ccccn1)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621781789 370531046 /nfs/dbraw/zinc/53/10/46/370531046.db2.gz IQSOEPAUSDEWDX-DYEKYZERSA-N 2 0 231.343 1.956 20 0 BDADRP CO[C@H](C[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1)C1CCC1 ZINC000621783441 370533975 /nfs/dbraw/zinc/53/39/75/370533975.db2.gz BLEFTWCKCUWDOQ-BFHYXJOUSA-N 2 0 238.375 1.615 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000631044814 371029874 /nfs/dbraw/zinc/02/98/74/371029874.db2.gz OAYWXXHDEJXCDH-GFCCVEGCSA-N 2 0 235.331 1.219 20 0 BDADRP Cc1cccc(C[NH2+]CCN2CC[C@@H](O)C2)c1C ZINC000623757031 371082994 /nfs/dbraw/zinc/08/29/94/371082994.db2.gz MLHAPSZLMVFHOX-OAHLLOKOSA-N 2 0 248.370 1.460 20 0 BDADRP C[N@@H+]1CC[C@H](NCc2ccc[nH]c2=O)CC1(C)C ZINC000623777513 371088745 /nfs/dbraw/zinc/08/87/45/371088745.db2.gz IHLFSERNPKCFMJ-LBPRGKRZSA-N 2 0 249.358 1.750 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623823856 371111905 /nfs/dbraw/zinc/11/19/05/371111905.db2.gz NBRKPEBHVKVUNN-RWMBFGLXSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@@H]1CCCCO1 ZINC000623928210 371159207 /nfs/dbraw/zinc/15/92/07/371159207.db2.gz HYZDGAVUUMICPG-JSGCOSHPSA-N 2 0 238.375 1.796 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCn2ccnc2C1)[C@H]1CCCCO1 ZINC000623964254 371201401 /nfs/dbraw/zinc/20/14/01/371201401.db2.gz AZZXYKGAWGEDPX-YNEHKIRRSA-N 2 0 249.358 1.745 20 0 BDADRP CCC[C@@H](C)[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC000624084879 371297050 /nfs/dbraw/zinc/29/70/50/371297050.db2.gz VHDWZIJTQXISLK-NEPJUHHUSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@H](CCCCO)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624122163 371322884 /nfs/dbraw/zinc/32/28/84/371322884.db2.gz LIXDBDKMRTXLPI-KGLIPLIRSA-N 2 0 242.407 1.859 20 0 BDADRP CCOC1CC([NH2+]C[C@H]2CCCC[N@H+](C)C2)C1 ZINC000624122055 371323044 /nfs/dbraw/zinc/32/30/44/371323044.db2.gz ITQRXHGHDOQJCH-IYXRBSQSSA-N 2 0 240.391 1.875 20 0 BDADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2COC(C)(C)C2)C1 ZINC000624124139 371324609 /nfs/dbraw/zinc/32/46/09/371324609.db2.gz YHYMGVRBLXJBCG-CHWSQXEVSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H](CC1CCCC1)[NH2+]CCN1CC[C@H](O)C1 ZINC000624336663 371486467 /nfs/dbraw/zinc/48/64/67/371486467.db2.gz WLKHVWBZZCJASO-OCCSQVGLSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@H](CCC(C)(C)C)[NH2+]CCN1CC[C@H](O)C1 ZINC000624337633 371486676 /nfs/dbraw/zinc/48/66/76/371486676.db2.gz NCNHXDNZVPZFGW-OLZOCXBDSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@H]([NH2+]Cc1ccc[nH]c1=O)C1CC[NH+](C)CC1 ZINC000624257972 371443470 /nfs/dbraw/zinc/44/34/70/371443470.db2.gz WVDBNIRHWBZLHM-NSHDSACASA-N 2 0 249.358 1.607 20 0 BDADRP C[C@@H]1C[NH+](C[C@H]2CC[NH2+]C2)C[C@@H](C)S1 ZINC000226670266 371719300 /nfs/dbraw/zinc/71/93/00/371719300.db2.gz SSCOMXVEGUVBQE-MXWKQRLJSA-N 2 0 214.378 1.422 20 0 BDADRP C[C@@H](C[NH2+]Cc1ccc(=O)[nH]c1)C[NH+](C)C ZINC000631139934 372207179 /nfs/dbraw/zinc/20/71/79/372207179.db2.gz MBJGMSZIHSTKTA-JTQLQIEISA-N 2 0 223.320 1.075 20 0 BDADRP [NH3+]C1(C[NH2+]C[C@@H]2CCC(F)(F)C2)CCC1 ZINC000631823701 372602732 /nfs/dbraw/zinc/60/27/32/372602732.db2.gz LSODZAVVLHKRLD-SECBINFHSA-N 2 0 218.291 1.893 20 0 BDADRP C[C@H]1OCC[C@H]1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000631822040 372597077 /nfs/dbraw/zinc/59/70/77/372597077.db2.gz RCKGMUIHXMMRKK-MNOVXSKESA-N 2 0 214.353 1.328 20 0 BDADRP C[C@H]1OCC[C@@H]1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631822584 372599094 /nfs/dbraw/zinc/59/90/94/372599094.db2.gz IOBZWEQGVQWDTH-LSGALXMHSA-N 2 0 238.375 1.626 20 0 BDADRP C[C@H]1OCC[C@H]1C[N@H+](C)CC(C)(C)[NH3+] ZINC000631829274 372610799 /nfs/dbraw/zinc/61/07/99/372610799.db2.gz MJBWJGWBMNPGHR-ZJUUUORDSA-N 2 0 200.326 1.081 20 0 BDADRP C[C@H]1OCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000631828882 372611708 /nfs/dbraw/zinc/61/17/08/372611708.db2.gz AVLKNNBJXCLRNI-DDHJBXDOSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000631829639 372611802 /nfs/dbraw/zinc/61/18/02/372611802.db2.gz WNSIVSKVZWOFPN-XUXIUFHCSA-N 2 0 238.375 1.472 20 0 BDADRP N[C@@H]1CCCCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000631834876 372620894 /nfs/dbraw/zinc/62/08/94/372620894.db2.gz HOHUINMVUGPJPS-UONOGXRCSA-N 2 0 239.407 1.579 20 0 BDADRP Cc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(C)n1 ZINC000631837431 372626994 /nfs/dbraw/zinc/62/69/94/372626994.db2.gz BKCDLQUJDNBIOQ-IINYFYTJSA-N 2 0 233.359 1.725 20 0 BDADRP CCC1([NH+]2CCCC2)CCN(C[C@@H](C)[NH3+])CC1 ZINC000631837356 372627637 /nfs/dbraw/zinc/62/76/37/372627637.db2.gz RLPCXODSTLUIEY-CYBMUJFWSA-N 2 0 239.407 1.674 20 0 BDADRP C[C@@H]1C[N@H+](CCN(C)c2ccccc2)C[C@H]1C[NH3+] ZINC000631838481 372631861 /nfs/dbraw/zinc/63/18/61/372631861.db2.gz PEGJWRQYMYLUDF-ZIAGYGMSSA-N 2 0 247.386 1.649 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000631825665 372604064 /nfs/dbraw/zinc/60/40/64/372604064.db2.gz PRYDAARSQUYYAD-YNEHKIRRSA-N 2 0 226.364 1.472 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CN1Cc1cccc2c1CC[NH2+]C2 ZINC000631863032 372664813 /nfs/dbraw/zinc/66/48/13/372664813.db2.gz WVEOGRSLAXCEAD-BXUZGUMPSA-N 2 0 245.370 1.254 20 0 BDADRP CC[NH+](CC)CCCN1C[C@@H]([NH3+])C[C@@H]1C ZINC000631863225 372666362 /nfs/dbraw/zinc/66/63/62/372666362.db2.gz YJZDZQFEGUQYEU-RYUDHWBXSA-N 2 0 213.369 1.140 20 0 BDADRP C(C1CC[NH2+]CC1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631884355 372679427 /nfs/dbraw/zinc/67/94/27/372679427.db2.gz ISLDVCVWIRHDII-KBPBESRZSA-N 2 0 237.391 1.060 20 0 BDADRP C[C@@H]1C[N@H+](CC2=CCCOC2)CC[C@H]1[NH3+] ZINC000379754781 373055916 /nfs/dbraw/zinc/05/59/16/373055916.db2.gz SUXOGWRBNMGPCR-ZYHUDNBSSA-N 2 0 210.321 1.002 20 0 BDADRP Cc1cncc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000380968354 373688376 /nfs/dbraw/zinc/68/83/76/373688376.db2.gz VROPMCQMEXTBPP-GJZGRUSLSA-N 2 0 245.370 1.951 20 0 BDADRP C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1CCCC[NH2+]1 ZINC000424381367 206040232 /nfs/dbraw/zinc/04/02/32/206040232.db2.gz QSESBEREOPLHAC-LBELIVKGSA-N 2 0 208.349 1.905 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](CC(C)(C)COC)C1 ZINC000426418753 206049606 /nfs/dbraw/zinc/04/96/06/206049606.db2.gz YBECIZMCHGXEQT-CYBMUJFWSA-N 2 0 242.407 1.933 20 0 BDADRP Cn1cncc1CC[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000459426610 206126022 /nfs/dbraw/zinc/12/60/22/206126022.db2.gz MLRMIEPRVANMMF-CHWSQXEVSA-N 2 0 237.347 1.198 20 0 BDADRP CCOCCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000308878686 170375349 /nfs/dbraw/zinc/37/53/49/170375349.db2.gz CFXLJPYGXQVCRZ-SDDRHHMPSA-N 2 0 212.337 1.082 20 0 BDADRP OC1CCC([NH2+]CCCn2ccnc2)CC1 ZINC000236467185 183027553 /nfs/dbraw/zinc/02/75/53/183027553.db2.gz UHAXBABDQIAIOB-UHFFFAOYSA-N 2 0 223.320 1.166 20 0 BDADRP OCC[C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000359217386 183094713 /nfs/dbraw/zinc/09/47/13/183094713.db2.gz KRKJNMPKOLTSHE-ZDUSSCGKSA-N 2 0 226.364 1.080 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)NCCC[NH+]1CCCC1 ZINC000037619412 169006802 /nfs/dbraw/zinc/00/68/02/169006802.db2.gz YREHSSIPYWROMB-LBPRGKRZSA-N 2 0 241.379 1.106 20 0 BDADRP OC[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000129245125 183110176 /nfs/dbraw/zinc/11/01/76/183110176.db2.gz RQXAORMLXYMKRV-UONOGXRCSA-N 2 0 234.343 1.452 20 0 BDADRP OC[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000353509718 183137968 /nfs/dbraw/zinc/13/79/68/183137968.db2.gz LGPJJDNBJVIJSP-MJBXVCDLSA-N 2 0 238.375 1.221 20 0 BDADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)C(C)C)C1 ZINC000336720568 169077362 /nfs/dbraw/zinc/07/73/62/169077362.db2.gz WYXGAVJSYUHIFG-KBPBESRZSA-N 2 0 242.407 1.667 20 0 BDADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCOC2)C1 ZINC000336707415 169079039 /nfs/dbraw/zinc/07/90/39/169079039.db2.gz ORXNESXIJPMFSR-UONOGXRCSA-N 2 0 240.391 1.687 20 0 BDADRP CCC[N@H+](CC)CCN[C@H]1C[NH+](C)C[C@H]1C ZINC000336738997 169122467 /nfs/dbraw/zinc/12/24/67/169122467.db2.gz OQZSKHNNYMERLD-OLZOCXBDSA-N 2 0 227.396 1.258 20 0 BDADRP CCC[N@H+](CC(C)C)C[C@@H](O)CN(C)C1CC1 ZINC000310240635 169105393 /nfs/dbraw/zinc/10/53/93/169105393.db2.gz CYGIOWSQVZWRKV-AWEZNQCLSA-N 2 0 242.407 1.810 20 0 BDADRP CCC[NH+]1CCC([N@H+](C)C[C@@H]2CCCO2)CC1 ZINC000111240981 169187549 /nfs/dbraw/zinc/18/75/49/169187549.db2.gz DVYYPGBJYYDDAJ-AWEZNQCLSA-N 2 0 240.391 1.972 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@@H]2[C@H]3COC[C@H]32)CC1 ZINC000367683042 169188013 /nfs/dbraw/zinc/18/80/13/169188013.db2.gz BYSFILHHJZNWAC-ZSOGYDGISA-N 2 0 238.375 1.343 20 0 BDADRP CCC[NH+]1CCC([NH2+]CCc2cnccn2)CC1 ZINC000341901930 169188644 /nfs/dbraw/zinc/18/86/44/169188644.db2.gz ZTPTVVQSIPMYME-UHFFFAOYSA-N 2 0 248.374 1.483 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@@H](CO)C2CC2)CC1 ZINC000353858780 169188775 /nfs/dbraw/zinc/18/87/75/169188775.db2.gz IMZWVYQZYNGSLG-ZDUSSCGKSA-N 2 0 240.391 1.469 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H](C)CCOC)CC1 ZINC000045018750 169189119 /nfs/dbraw/zinc/18/91/19/169189119.db2.gz HGTWGWCESQKVDJ-GFCCVEGCSA-N 2 0 228.380 1.875 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H](C)CCCC[NH3+])CC1 ZINC000310318975 169189842 /nfs/dbraw/zinc/18/98/42/169189842.db2.gz YBVVDDBDXXNCCL-ZDUSSCGKSA-N 3 0 241.423 1.968 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H]2CCO[C@H]2C)CC1 ZINC000119911763 169190228 /nfs/dbraw/zinc/19/02/28/169190228.db2.gz LVSWQVNTDGQRBU-AAEUAGOBSA-N 2 0 226.364 1.628 20 0 BDADRP c1c[nH]c([C@@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000268657565 183326683 /nfs/dbraw/zinc/32/66/83/183326683.db2.gz LIOHTMBVRUFZLP-LLVKDONJSA-N 2 0 205.305 1.999 20 0 BDADRP CCC[N@@H+]1CCC[C@H]1CNC1CC[NH+](C)CC1 ZINC000353138988 169199931 /nfs/dbraw/zinc/19/99/31/169199931.db2.gz NJMPMRPSESQCKJ-AWEZNQCLSA-N 2 0 239.407 1.545 20 0 BDADRP c1cc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccn1 ZINC000156022866 183338438 /nfs/dbraw/zinc/33/84/38/183338438.db2.gz ZBIOELPCFAJBEO-LSDHHAIUSA-N 2 0 245.370 1.841 20 0 BDADRP c1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)on1 ZINC000063200569 183340040 /nfs/dbraw/zinc/34/00/40/183340040.db2.gz HBGYJBSZJNSENZ-ZDUSSCGKSA-N 2 0 235.331 1.639 20 0 BDADRP c1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)ccn1 ZINC000082546186 183340191 /nfs/dbraw/zinc/34/01/91/183340191.db2.gz SCFBGRNGKAKEBB-UHFFFAOYSA-N 2 0 231.343 1.657 20 0 BDADRP c1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)ccn1 ZINC000041214235 183350883 /nfs/dbraw/zinc/35/08/83/183350883.db2.gz CEXALGMWZGVETG-GFCCVEGCSA-N 2 0 205.305 1.171 20 0 BDADRP c1[nH]nc2cc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)ccc12 ZINC000359469210 183374668 /nfs/dbraw/zinc/37/46/68/183374668.db2.gz ALHKQCQRZIEURY-CHWSQXEVSA-N 2 0 242.326 1.214 20 0 BDADRP c1ccc(CCC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000107580109 183392350 /nfs/dbraw/zinc/39/23/50/183392350.db2.gz BSHIDQXRMQJSCA-HUUCEWRRSA-N 2 0 230.355 1.770 20 0 BDADRP c1ccc(CC[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000031994564 183393796 /nfs/dbraw/zinc/39/37/96/183393796.db2.gz CCUYKVBNXWUEKF-HNNXBMFYSA-N 2 0 230.355 1.915 20 0 BDADRP CCCO[C@H]1CCC[N@H+](CCOCC[NH3+])CC1 ZINC000357083891 169312452 /nfs/dbraw/zinc/31/24/52/169312452.db2.gz IVZNAWRMZRBSLV-ZDUSSCGKSA-N 2 0 244.379 1.243 20 0 BDADRP CCC[C@@H](C[NH2+]C1CC[NH+](CC)CC1)OC ZINC000356335479 169384970 /nfs/dbraw/zinc/38/49/70/169384970.db2.gz NGMBHZOYDYXPHT-ZDUSSCGKSA-N 2 0 228.380 1.875 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000222568580 134332836 /nfs/dbraw/zinc/33/28/36/134332836.db2.gz ZOFMIKFPLXVOGC-AVGNSLFASA-N 2 0 228.380 1.467 20 0 BDADRP O[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000252733222 383823572 /nfs/dbraw/zinc/82/35/72/383823572.db2.gz YKQGSUPOBNAGAZ-YIYPIFLZSA-N 2 0 238.375 1.506 20 0 BDADRP CO[C@H](C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1)C1CC1 ZINC000400177316 383824916 /nfs/dbraw/zinc/82/49/16/383824916.db2.gz PRDQSMFVPOPECY-GXTWGEPZSA-N 2 0 240.391 1.731 20 0 BDADRP C(C[C@@H]1CCC[NH2+]1)c1nc([C@H]2CCC[NH2+]2)no1 ZINC000647148352 383899711 /nfs/dbraw/zinc/89/97/11/383899711.db2.gz MBVPQDFUVIVQTE-VHSXEESVSA-N 2 0 236.319 1.179 20 0 BDADRP CCCN1CCC[C@H]1C[NH2+][C@H]1CO[C@H](C)C1 ZINC000647210991 383901867 /nfs/dbraw/zinc/90/18/67/383901867.db2.gz LZRQWIGEAOZDQU-UPJWGTAASA-N 2 0 226.364 1.628 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])C2)C1 ZINC000643542755 383983386 /nfs/dbraw/zinc/98/33/86/383983386.db2.gz UHCSRYMSYGYQCL-ZDEQEGDKSA-N 2 0 226.364 1.661 20 0 BDADRP CN(CCC[N@H+](C)CC1(C)CC1)CC[NH+](C)C ZINC000569392571 383984575 /nfs/dbraw/zinc/98/45/75/383984575.db2.gz QCLFZMMJUCQDJM-UHFFFAOYSA-N 2 0 241.423 1.602 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](OC)C2CC2)C1 ZINC000400233465 383944438 /nfs/dbraw/zinc/94/44/38/383944438.db2.gz SXLRCJADUIIUPS-DGCLKSJQSA-N 2 0 226.364 1.343 20 0 BDADRP CC[NH2+][C@H](C)CNC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000449502258 383953639 /nfs/dbraw/zinc/95/36/39/383953639.db2.gz QWNOIVZSMSKGPY-UTUOFQBUSA-N 2 0 241.379 1.008 20 0 BDADRP CCC[C@@H](C)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000187691051 383969585 /nfs/dbraw/zinc/96/95/85/383969585.db2.gz DILLHJIDAGKYMU-CYBMUJFWSA-N 2 0 242.407 1.954 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000643545307 384012462 /nfs/dbraw/zinc/01/24/62/384012462.db2.gz YBJMMTYPBHGQTH-GXTWGEPZSA-N 3 0 239.407 1.448 20 0 BDADRP C[NH+](C)[C@@H]1CCC[N@H+](CC2(O)CCCC2)CC1 ZINC000336514470 384045279 /nfs/dbraw/zinc/04/52/79/384045279.db2.gz JXNKRKFQCWWNAW-CYBMUJFWSA-N 2 0 240.391 1.708 20 0 BDADRP C[C@H](N[C@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000643547385 384033839 /nfs/dbraw/zinc/03/38/39/384033839.db2.gz DRJBCCQSILELPE-AVGNSLFASA-N 2 0 237.391 1.391 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CO1 ZINC000401846911 384119981 /nfs/dbraw/zinc/11/99/81/384119981.db2.gz BLUXDAQOEVPXJV-FVCCEPFGSA-N 2 0 224.348 1.380 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](Cc2cccc(O)c2)C1 ZINC000050245391 384174200 /nfs/dbraw/zinc/17/42/00/384174200.db2.gz JAJJCGZDXDBWTN-NSHDSACASA-N 2 0 206.289 1.173 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccno2)CC1 ZINC000082475038 384231490 /nfs/dbraw/zinc/23/14/90/384231490.db2.gz ICUULSSGUKNGKR-VIFPVBQESA-N 2 0 209.293 1.234 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000357851198 384213811 /nfs/dbraw/zinc/21/38/11/384213811.db2.gz NNSXPMXQPHVHAV-STQMWFEESA-N 2 0 240.391 1.875 20 0 BDADRP Cn1ccc(C[NH2+]C2CCC([NH+](C)C)CC2)n1 ZINC000560546803 384214160 /nfs/dbraw/zinc/21/41/60/384214160.db2.gz WXBDDAJYKHEHGN-UHFFFAOYSA-N 2 0 236.363 1.383 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CN(C[C@H]2CCC(F)(F)C2)CCO1 ZINC000302509659 384218991 /nfs/dbraw/zinc/21/89/91/384218991.db2.gz VAZDHAMNCUSYBZ-DCAQKATOSA-N 2 0 248.317 1.470 20 0 BDADRP CC[C@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)CCS1 ZINC000133061583 384223338 /nfs/dbraw/zinc/22/33/38/384223338.db2.gz MEDJTOAWBDPJKE-NWDGAFQWSA-N 2 0 228.405 1.813 20 0 BDADRP CC(C)(CCCO)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000227919301 134399962 /nfs/dbraw/zinc/39/99/62/134399962.db2.gz VLVBEXKFOLTPPI-OLZOCXBDSA-N 2 0 242.407 1.892 20 0 BDADRP CCC[C@@H](C)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313340155 384270433 /nfs/dbraw/zinc/27/04/33/384270433.db2.gz LPYMHHAPDHKGQF-VXGBXAGGSA-N 2 0 214.353 1.472 20 0 BDADRP C[C@H](C[NH2+][C@H]1CO[C@H](C)C1)C[NH+]1CCCCC1 ZINC000401915110 384279493 /nfs/dbraw/zinc/27/94/93/384279493.db2.gz AMNXAVXPFSBFDP-MGPQQGTHSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1CC[C@@H](C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)O1 ZINC000402943729 384281941 /nfs/dbraw/zinc/28/19/41/384281941.db2.gz NXRNJNKXZXYOLY-RFGFWPKPSA-N 2 0 238.375 1.615 20 0 BDADRP Cc1nccn1CCC[NH2+][C@H]1CO[C@H](C)C1 ZINC000647172754 384425453 /nfs/dbraw/zinc/42/54/53/384425453.db2.gz HQKQTGCIOBQZDN-ZYHUDNBSSA-N 2 0 223.320 1.349 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CO[C@@H](C)C2)C1 ZINC000647175054 384471048 /nfs/dbraw/zinc/47/10/48/384471048.db2.gz VULXZARSXZTNAU-XQQFMLRXSA-N 2 0 226.364 1.485 20 0 BDADRP CC1(C)[C@H](O)C[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000163362290 384479945 /nfs/dbraw/zinc/47/99/45/384479945.db2.gz HYKLYGYCFDTWPP-WFBLGPOFSA-N 2 0 212.337 1.005 20 0 BDADRP COCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150778031 384505799 /nfs/dbraw/zinc/50/57/99/384505799.db2.gz CGGDGJUSAWVWNQ-LBPRGKRZSA-N 2 0 212.337 1.051 20 0 BDADRP CC(C)CCOCC[NH+]1CCC(C[NH3+])CC1 ZINC000049266396 384527426 /nfs/dbraw/zinc/52/74/26/384527426.db2.gz SADCUHHRDGVZSW-UHFFFAOYSA-N 2 0 228.380 1.720 20 0 BDADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CO[C@@H](C)C2)CC1 ZINC000647179769 384531528 /nfs/dbraw/zinc/53/15/28/384531528.db2.gz ODHZMAZPQWSBRY-JSGCOSHPSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)([NH3+])CN1CC[NH+](Cc2ccccc2)CC1 ZINC000019685460 384532599 /nfs/dbraw/zinc/53/25/99/384532599.db2.gz OWLDHMLRRCKOLY-UHFFFAOYSA-N 2 0 247.386 1.542 20 0 BDADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2CO[C@H](C)C2)CC1 ZINC000402164504 384532691 /nfs/dbraw/zinc/53/26/91/384532691.db2.gz SATZZMRDRRCBPW-OCCSQVGLSA-N 2 0 240.391 1.874 20 0 BDADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](COC)C2CC2)C1 ZINC000151143368 384543080 /nfs/dbraw/zinc/54/30/80/384543080.db2.gz YGXYBQFRVCBFAV-JSGCOSHPSA-N 2 0 240.391 1.733 20 0 BDADRP [NH3+]C[C@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000019843423 384544498 /nfs/dbraw/zinc/54/44/98/384544498.db2.gz FCFNXRHHFWNXTN-GFCCVEGCSA-N 2 0 205.305 1.252 20 0 BDADRP CC[NH2+]CCCNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000561182824 384547688 /nfs/dbraw/zinc/54/76/88/384547688.db2.gz UGMRQQMCDHUPTE-CYBMUJFWSA-N 2 0 249.358 1.192 20 0 BDADRP COCCCCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428030582 384553511 /nfs/dbraw/zinc/55/35/11/384553511.db2.gz IOEFXVGIPXTFHG-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP OCCC[N@H+](CC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000643057848 384563438 /nfs/dbraw/zinc/56/34/38/384563438.db2.gz LGWTUIWNRRJNNE-GFCCVEGCSA-N 2 0 226.364 1.223 20 0 BDADRP C[NH+](C)CC(C)(C)C[NH2+]Cc1cc[nH]c1 ZINC000085578680 384538967 /nfs/dbraw/zinc/53/89/67/384538967.db2.gz AWRZXQKFBIZVJX-UHFFFAOYSA-N 2 0 209.337 1.692 20 0 BDADRP COC[C@@H](C)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000123724299 384580150 /nfs/dbraw/zinc/58/01/50/384580150.db2.gz ANHUKBAJSMKGDS-GFCCVEGCSA-N 2 0 236.359 1.873 20 0 BDADRP C[C@H]1C[C@@H]([N@H+](C)CCCF)CCN1C ZINC000151374913 384567861 /nfs/dbraw/zinc/56/78/61/384567861.db2.gz MMVKDWRESAMAER-QWRGUYRKSA-N 2 0 202.317 1.761 20 0 BDADRP CCC[NH+]1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000171594684 384609644 /nfs/dbraw/zinc/60/96/44/384609644.db2.gz JHMDXFKPOHALEN-NSHDSACASA-N 2 0 214.353 1.173 20 0 BDADRP COC[C@H](C)[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363577286 384620183 /nfs/dbraw/zinc/62/01/83/384620183.db2.gz LEJUNQAWCAAGMS-FQUUOJAGSA-N 2 0 238.375 1.437 20 0 BDADRP CC(C)C[C@H](C)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000300837281 384597389 /nfs/dbraw/zinc/59/73/89/384597389.db2.gz CTLKADREZREWTE-YNEHKIRRSA-N 2 0 210.365 1.820 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CC[NH2+][C@@H](C(C)C)C1 ZINC000647531549 384634178 /nfs/dbraw/zinc/63/41/78/384634178.db2.gz CTOSMOHXIFSQIC-CHWSQXEVSA-N 2 0 227.396 1.290 20 0 BDADRP CC[C@H](COC)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000086404412 384645678 /nfs/dbraw/zinc/64/56/78/384645678.db2.gz OJDOEFKKROWIHP-AXFHLTTASA-N 2 0 200.326 1.271 20 0 BDADRP COC[C@@H]([NH2+]C1CCC([NH3+])CC1)C(C)C ZINC000086730582 384679534 /nfs/dbraw/zinc/67/95/34/384679534.db2.gz QEXFCGYKOKRDFN-HTAVTVPLSA-N 2 0 214.353 1.517 20 0 BDADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1cnccn1 ZINC000125360333 384710157 /nfs/dbraw/zinc/71/01/57/384710157.db2.gz GFFKTDDMDQOXFG-GFCCVEGCSA-N 2 0 248.374 1.859 20 0 BDADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000647190818 384710755 /nfs/dbraw/zinc/71/07/55/384710755.db2.gz QFFQEMDITAAKHY-RWMBFGLXSA-N 2 0 244.379 1.110 20 0 BDADRP CCC([NH3+])(CC)CN[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000647546158 384731601 /nfs/dbraw/zinc/73/16/01/384731601.db2.gz BMOMFCAXFYFBLK-QWRGUYRKSA-N 2 0 213.369 1.092 20 0 BDADRP [NH3+]Cc1ccc(N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647547360 384735878 /nfs/dbraw/zinc/73/58/78/384735878.db2.gz TYHWXKFZFTUENS-KCQAQPDRSA-N 2 0 245.370 1.945 20 0 BDADRP C[NH2+]Cc1cccc(N[C@H]2C[NH2+]C[C@H](C)C2)c1 ZINC000647547137 384736140 /nfs/dbraw/zinc/73/61/40/384736140.db2.gz OVNSMQNTOKUKEM-BXUZGUMPSA-N 2 0 233.359 1.816 20 0 BDADRP C[NH2+]Cc1ccc(N[C@H]2C[NH2+]C[C@@H](C)C2)cc1 ZINC000647547369 384737631 /nfs/dbraw/zinc/73/76/31/384737631.db2.gz UOWVABMYGWBDGR-SMDDNHRTSA-N 2 0 233.359 1.816 20 0 BDADRP C1[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C12CC[NH2+]CC2 ZINC000647548179 384749666 /nfs/dbraw/zinc/74/96/66/384749666.db2.gz XXAJIYIRKPVXIF-FQUUOJAGSA-N 3 0 249.402 1.106 20 0 BDADRP COC[C@@H]1CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000234714217 384750193 /nfs/dbraw/zinc/75/01/93/384750193.db2.gz XGIVGZHYCHZQTP-OLZOCXBDSA-N 2 0 226.364 1.344 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647547973 384750281 /nfs/dbraw/zinc/75/02/81/384750281.db2.gz PVEMUZNETBMGDM-FVCCEPFGSA-N 3 0 225.380 1.092 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](N[C@H](C[NH3+])C2CCCC2)C1 ZINC000647547937 384750598 /nfs/dbraw/zinc/75/05/98/384750598.db2.gz MJEMUYZMCCPTAI-CYZMBNFOSA-N 2 0 225.380 1.092 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc2c(c1)ncn2C ZINC000647552260 384756792 /nfs/dbraw/zinc/75/67/92/384756792.db2.gz NUDLTIWKZDTFDM-MNOVXSKESA-N 2 0 246.358 1.789 20 0 BDADRP CCc1ncc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])s1 ZINC000647552535 384762600 /nfs/dbraw/zinc/76/26/00/384762600.db2.gz FTMLEWWIAKDSKN-BDAKNGLRSA-N 2 0 227.377 1.921 20 0 BDADRP COCC(C)(C)C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000647553333 384767550 /nfs/dbraw/zinc/76/75/50/384767550.db2.gz TVTBCRBSDQDHNX-UHFFFAOYSA-N 2 0 236.359 1.908 20 0 BDADRP Cc1nc2ccccn2c1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000518185872 384780396 /nfs/dbraw/zinc/78/03/96/384780396.db2.gz URQLVXULYGDVHE-GHMZBOCLSA-N 2 0 246.358 1.858 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000647553669 384769302 /nfs/dbraw/zinc/76/93/02/384769302.db2.gz GQUJKXPNVNAOBV-UTUOFQBUSA-N 2 0 208.349 1.907 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000335040259 384820253 /nfs/dbraw/zinc/82/02/53/384820253.db2.gz DDSWLUMWSDZPFV-LSDHHAIUSA-N 2 0 230.355 1.871 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CC[C@@H](C)O1 ZINC000398171772 384827041 /nfs/dbraw/zinc/82/70/41/384827041.db2.gz PATQNNNYQIQBDP-UTUOFQBUSA-N 2 0 214.353 1.661 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)C[NH+](C)C)C1(C)C ZINC000310100024 384833344 /nfs/dbraw/zinc/83/33/44/384833344.db2.gz BBLJPVKBPHAGGU-RWMBFGLXSA-N 2 0 242.407 1.977 20 0 BDADRP C([C@@H]1CCSC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000306818985 384833382 /nfs/dbraw/zinc/83/33/82/384833382.db2.gz FLEDFQYEVUNBOI-AXFHLTTASA-N 2 0 212.362 1.033 20 0 BDADRP CC(C)C[C@H]([NH3+])CNc1ccc(C[NH3+])cc1 ZINC000107796818 384783561 /nfs/dbraw/zinc/78/35/61/384783561.db2.gz AOSJPURPTKFGSM-LBPRGKRZSA-N 2 0 221.348 1.931 20 0 BDADRP CC[C@H](C[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C)OC ZINC000310012546 384784345 /nfs/dbraw/zinc/78/43/45/384784345.db2.gz JEUCCRJXAVOAAX-UPJWGTAASA-N 2 0 228.380 1.731 20 0 BDADRP CCCC[N@H+](C)CC1CC[NH+](CCO)CC1 ZINC000105861924 384804867 /nfs/dbraw/zinc/80/48/67/384804867.db2.gz BSPOUPPXTLHYMS-UHFFFAOYSA-N 2 0 228.380 1.423 20 0 BDADRP C[C@H]1[NH2+]CCC[C@@H]1NC1CC[NH+](C2CC2)CC1 ZINC000335644681 384807518 /nfs/dbraw/zinc/80/75/18/384807518.db2.gz XHNNNMJTVOQMFI-RISCZKNCSA-N 2 0 237.391 1.343 20 0 BDADRP C[N@H+](C[C@@H]1CCCO1)C[C@@H]1CCC[NH2+]C1 ZINC000042466483 384814642 /nfs/dbraw/zinc/81/46/42/384814642.db2.gz VSSMFRZEVFEYCB-NEPJUHHUSA-N 2 0 212.337 1.097 20 0 BDADRP CCC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000449670470 384876581 /nfs/dbraw/zinc/87/65/81/384876581.db2.gz XLBUDFCCNQYYQO-LBPRGKRZSA-N 2 0 233.315 1.356 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC[NH3+] ZINC000398220693 384850638 /nfs/dbraw/zinc/85/06/38/384850638.db2.gz WBSQUPZULSSWSX-UKRRQHHQSA-N 2 0 247.386 1.445 20 0 BDADRP CCC[C@H]([NH3+])C(=O)N1CCC[N@H+](CCC)CC1 ZINC000370782201 384854623 /nfs/dbraw/zinc/85/46/23/384854623.db2.gz RZUYTUKRWZABEK-LBPRGKRZSA-N 2 0 241.379 1.058 20 0 BDADRP C[NH+]1CCC(CC[NH2+]Cc2cccnc2)CC1 ZINC000105454793 384869184 /nfs/dbraw/zinc/86/91/84/384869184.db2.gz YZNDVTFWGMYWMZ-UHFFFAOYSA-N 2 0 233.359 1.903 20 0 BDADRP CCOCC[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000175726745 384951612 /nfs/dbraw/zinc/95/16/12/384951612.db2.gz HNOYXUSXEGZNQP-OLZOCXBDSA-N 2 0 228.380 1.685 20 0 BDADRP CCCC[NH+]1CCC([NH2+]C[C@H](O)CC)CC1 ZINC000644557045 384957916 /nfs/dbraw/zinc/95/79/16/384957916.db2.gz XJBOMCOLFCZMMU-CYBMUJFWSA-N 2 0 228.380 1.611 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CC2(C[NH+](C)C)CCCC2)CO1 ZINC000647202332 384903600 /nfs/dbraw/zinc/90/36/00/384903600.db2.gz UTJPLJWCMZFPRH-QWHCGFSZSA-N 2 0 240.391 1.875 20 0 BDADRP COc1cc([C@@H](C)[NH2+]C[C@H]2CCCN2C)ccn1 ZINC000564660550 384940143 /nfs/dbraw/zinc/94/01/43/384940143.db2.gz KGGRTHTUEQHPEM-DGCLKSJQSA-N 2 0 249.358 1.835 20 0 BDADRP COc1cc([C@H](C)[NH2+]C[C@H]2CCCN2C)ccn1 ZINC000564660551 384941050 /nfs/dbraw/zinc/94/10/50/384941050.db2.gz KGGRTHTUEQHPEM-WCQYABFASA-N 2 0 249.358 1.835 20 0 BDADRP COC[C@H]1CCCC[N@H+](CCn2ccnc2)C1 ZINC000364125190 385021588 /nfs/dbraw/zinc/02/15/88/385021588.db2.gz IMQWNHMMXOMRCT-ZDUSSCGKSA-N 2 0 237.347 1.632 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCOCC1CCC1 ZINC000518360348 384978334 /nfs/dbraw/zinc/97/83/34/384978334.db2.gz VOTNWWAODCMYJH-UONOGXRCSA-N 2 0 240.391 1.910 20 0 BDADRP CC[NH+]1CCC(C[NH2+]Cc2ccns2)CC1 ZINC000404412382 384981424 /nfs/dbraw/zinc/98/14/24/384981424.db2.gz AHHQNQIKLJXKJK-UHFFFAOYSA-N 2 0 239.388 1.965 20 0 BDADRP COC1(CC[NH2+][C@@H]2CN(C)C[C@@H]2C)CCC1 ZINC000339444112 385000125 /nfs/dbraw/zinc/00/01/25/385000125.db2.gz DBSMRGXTOAOWLZ-NWDGAFQWSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H](CC[NH+](C)C)NCc1ccns1 ZINC000404444723 385006899 /nfs/dbraw/zinc/00/68/99/385006899.db2.gz BSMKNHSDCNRXEV-SECBINFHSA-N 2 0 213.350 1.573 20 0 BDADRP C[N@@H+]1CCC[C@H](CNCc2ccns2)C1 ZINC000404466613 385014097 /nfs/dbraw/zinc/01/40/97/385014097.db2.gz XVXHYTUMCLKFKM-SNVBAGLBSA-N 2 0 225.361 1.575 20 0 BDADRP CCSCC[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000130010514 385017576 /nfs/dbraw/zinc/01/75/76/385017576.db2.gz QSMNEHRKMKLQJO-NSHDSACASA-N 2 0 216.394 1.800 20 0 BDADRP C[C@@]1(C[NH3+])CCN(Cc2ccns2)C1 ZINC000404470680 385018880 /nfs/dbraw/zinc/01/88/80/385018880.db2.gz LPWYCKUMIXZTGS-JTQLQIEISA-N 2 0 211.334 1.314 20 0 BDADRP C([C@H]1CCOC1)[N@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000226435462 385019826 /nfs/dbraw/zinc/01/98/26/385019826.db2.gz ZFNONOWLHVGJMS-CHWSQXEVSA-N 2 0 238.375 1.487 20 0 BDADRP CC[C@H]1CN(Cc2ccns2)CC[C@H]1[NH3+] ZINC000404490544 385020605 /nfs/dbraw/zinc/02/06/05/385020605.db2.gz IETAHXQVHQCYAU-GXSJLCMTSA-N 2 0 225.361 1.702 20 0 BDADRP Cc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)cn1 ZINC000404757437 385051416 /nfs/dbraw/zinc/05/14/16/385051416.db2.gz AIVHMHXHSBFHAY-NEPJUHHUSA-N 2 0 219.332 1.605 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCc1cccnc1 ZINC000404779040 385056220 /nfs/dbraw/zinc/05/62/20/385056220.db2.gz MMTLHIAGJGTHDP-NEPJUHHUSA-N 2 0 219.332 1.340 20 0 BDADRP CN(C[C@@H](O)C[NH2+]C[C@@H]1C[C@H]1C1CC1)C1CC1 ZINC000644664429 385075445 /nfs/dbraw/zinc/07/54/45/385075445.db2.gz NQBUGTRRMCXBNL-UBHSHLNASA-N 2 0 238.375 1.077 20 0 BDADRP C(C[NH2+]C1CC1)C[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000423552368 385027791 /nfs/dbraw/zinc/02/77/91/385027791.db2.gz JSQRDBIZBGAGNW-OLZOCXBDSA-N 2 0 208.349 1.907 20 0 BDADRP Cc1cc(NC[C@@H](C)C[NH+](C)C)nc(C)n1 ZINC000291875480 385030747 /nfs/dbraw/zinc/03/07/47/385030747.db2.gz NWNFSTNEHXFLIH-SECBINFHSA-N 2 0 222.336 1.703 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCCC[C@H]1C ZINC000300026744 385112460 /nfs/dbraw/zinc/11/24/60/385112460.db2.gz ZRONFRWEKQALTR-FRRDWIJNSA-N 2 0 228.380 1.909 20 0 BDADRP CC1([NH3+])CCN(C(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000646993921 385123334 /nfs/dbraw/zinc/12/33/34/385123334.db2.gz OJIFEBOSEQBPTE-LBPRGKRZSA-N 2 0 247.342 1.026 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](CCSC)C1 ZINC000177839574 385124885 /nfs/dbraw/zinc/12/48/85/385124885.db2.gz YJWQPNOSRWDJHO-LLVKDONJSA-N 2 0 216.394 1.623 20 0 BDADRP CC(C)COCC[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000404836792 385095726 /nfs/dbraw/zinc/09/57/26/385095726.db2.gz AKQMSWIUAOJLRI-WDEREUQCSA-N 2 0 214.353 1.374 20 0 BDADRP CC(C)OCCC[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000404837643 385096893 /nfs/dbraw/zinc/09/68/93/385096893.db2.gz APWGEORPXGEIEA-MNOVXSKESA-N 2 0 214.353 1.517 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@@H]1CCC[C@@H]1[NH3+] ZINC000422721405 385201781 /nfs/dbraw/zinc/20/17/81/385201781.db2.gz VHVQBAKZFMANTR-SDDRHHMPSA-N 2 0 213.369 1.186 20 0 BDADRP [NH3+]CC1(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)CC1 ZINC000647479756 385156831 /nfs/dbraw/zinc/15/68/31/385156831.db2.gz SPMVXSDKOGYGFA-STQMWFEESA-N 2 0 237.391 1.189 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@H](C)C1CCC1 ZINC000177987418 385164327 /nfs/dbraw/zinc/16/43/27/385164327.db2.gz AUXBSXSKUWPZEO-GFCCVEGCSA-N 2 0 228.380 1.733 20 0 BDADRP OC1(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000342810208 385167831 /nfs/dbraw/zinc/16/78/31/385167831.db2.gz PGYOZXJGQZOJOC-STQMWFEESA-N 2 0 238.375 1.508 20 0 BDADRP c1cc(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)n[nH]1 ZINC000647480684 385170813 /nfs/dbraw/zinc/17/08/13/385170813.db2.gz XHNAPRILTWCXKV-DGCLKSJQSA-N 2 0 234.347 1.374 20 0 BDADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCC[NH+](CC)CC ZINC000019478870 385208174 /nfs/dbraw/zinc/20/81/74/385208174.db2.gz DYKBKXPSEYKRHW-VXGBXAGGSA-N 2 0 243.395 1.208 20 0 BDADRP Cc1cccc(CN[C@@H]2CC[N@@H+](C)C[C@H]2C)n1 ZINC000252713361 385221944 /nfs/dbraw/zinc/22/19/44/385221944.db2.gz OYQUDKCQHDUMOI-BXUZGUMPSA-N 2 0 233.359 1.820 20 0 BDADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000647076330 385234792 /nfs/dbraw/zinc/23/47/92/385234792.db2.gz ZKIVUGSNIMPRNC-RNCFNFMXSA-N 2 0 245.326 1.226 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCC[C@H]1O ZINC000323439700 385251590 /nfs/dbraw/zinc/25/15/90/385251590.db2.gz RUHMOQDRRYRKSS-XJFOESAGSA-N 2 0 240.391 1.800 20 0 BDADRP OCCCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157903084 385303985 /nfs/dbraw/zinc/30/39/85/385303985.db2.gz QXHPLKBNBOBDOP-QWHCGFSZSA-N 2 0 226.364 1.365 20 0 BDADRP COc1c(C)cnc(CN2CCC[NH2+]CC2)c1C ZINC000019844380 385259476 /nfs/dbraw/zinc/25/94/76/385259476.db2.gz VGLABDLZTOSWBI-UHFFFAOYSA-N 2 0 249.358 1.502 20 0 BDADRP CN(Cc1ccncc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000130770477 385285362 /nfs/dbraw/zinc/28/53/62/385285362.db2.gz VICMOFFCWIPQJF-CQSZACIVSA-N 2 0 233.359 1.855 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCN1CCCC1 ZINC000308987147 385334672 /nfs/dbraw/zinc/33/46/72/385334672.db2.gz GYGQYHANTGPYNF-GFCCVEGCSA-N 2 0 213.369 1.189 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCSC2)CC1 ZINC000309045903 385389074 /nfs/dbraw/zinc/38/90/74/385389074.db2.gz OOQZCJWWVWWTIA-MOENNCHZSA-N 2 0 228.405 1.954 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@H]2CCSC2)CC1 ZINC000309045902 385389241 /nfs/dbraw/zinc/38/92/41/385389241.db2.gz OOQZCJWWVWWTIA-CXQJBGSLSA-N 2 0 228.405 1.954 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(N)nc2)C1 ZINC000647496547 385389809 /nfs/dbraw/zinc/38/98/09/385389809.db2.gz SXPLKBWGRFSJQX-CMPLNLGQSA-N 2 0 234.347 1.053 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1cccc(O)c1 ZINC000309004603 385365765 /nfs/dbraw/zinc/36/57/65/385365765.db2.gz TVBVJBRYFYLFDJ-UWVGGRQHSA-N 2 0 208.305 1.638 20 0 BDADRP COCCC[C@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000309055335 385387105 /nfs/dbraw/zinc/38/71/05/385387105.db2.gz UEDXAOQWPYQEMY-NWDGAFQWSA-N 2 0 216.369 1.731 20 0 BDADRP Cc1cncc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000299932448 385328300 /nfs/dbraw/zinc/32/83/00/385328300.db2.gz YHTRSBVMKSCJRN-ZNMIVQPWSA-N 2 0 245.370 1.949 20 0 BDADRP CC[C@H]([NH3+])C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000168987365 385398653 /nfs/dbraw/zinc/39/86/53/385398653.db2.gz GLCSOLLWJFDPDN-QWRGUYRKSA-N 2 0 243.395 1.206 20 0 BDADRP C[C@@H]1[C@H]([NH2+]C[C@@H]2CCSC2)CCCN1C ZINC000309096046 385407793 /nfs/dbraw/zinc/40/77/93/385407793.db2.gz CUZXHMNRCUQJML-GRYCIOLGSA-N 2 0 228.405 1.812 20 0 BDADRP CC[C@@H]1C[N@H+](Cc2c(C)n[nH]c2C)CC[C@@H]1[NH3+] ZINC000647498210 385415027 /nfs/dbraw/zinc/41/50/27/385415027.db2.gz CPAZUZDFDUGZEU-YPMHNXCESA-N 2 0 236.363 1.586 20 0 BDADRP CN(CCC[NH3+])C(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000644067437 385416476 /nfs/dbraw/zinc/41/64/76/385416476.db2.gz VENUPCPSAQKNBW-VXGBXAGGSA-N 2 0 241.379 1.091 20 0 BDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCOc1ccccc1 ZINC000405285602 385453488 /nfs/dbraw/zinc/45/34/88/385453488.db2.gz FXDBFMNTBHJGAP-STQMWFEESA-N 2 0 234.343 1.781 20 0 BDADRP C=Cn1cc(C[NH2+]C[C@H]2CCCN2C)cn1 ZINC000194261804 385427911 /nfs/dbraw/zinc/42/79/11/385427911.db2.gz MLRBLSYUBLKVRN-GFCCVEGCSA-N 2 0 220.320 1.167 20 0 BDADRP Cc1cc[nH+]c(NC[C@H](C)C[NH+](C)C)c1 ZINC000291675627 385464599 /nfs/dbraw/zinc/46/45/99/385464599.db2.gz DSMGUUAEWNWRQT-NSHDSACASA-N 2 0 207.321 2.000 20 0 BDADRP C([C@H]1CCCCO1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257745229 385496765 /nfs/dbraw/zinc/49/67/65/385496765.db2.gz ZOBYPZWTSWLLOR-KGLIPLIRSA-N 2 0 238.375 1.631 20 0 BDADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cn[nH]c1 ZINC000302346056 385517107 /nfs/dbraw/zinc/51/71/07/385517107.db2.gz IFIFSQHFWFYQOH-LLVKDONJSA-N 2 0 236.363 1.792 20 0 BDADRP CSCC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000172198346 385532874 /nfs/dbraw/zinc/53/28/74/385532874.db2.gz XYBICIULZWTVTM-JTQLQIEISA-N 2 0 202.367 1.233 20 0 BDADRP C[N@H+](C[C@H]1CCn2ccnc2C1)C1CCC1 ZINC000367705415 385538116 /nfs/dbraw/zinc/53/81/16/385538116.db2.gz MNLPIEBLHFCUGF-NSHDSACASA-N 2 0 219.332 1.930 20 0 BDADRP CCCCOCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000309340998 385541221 /nfs/dbraw/zinc/54/12/21/385541221.db2.gz KQMXDFIIXMRCLB-OLZOCXBDSA-N 2 0 226.364 1.344 20 0 BDADRP CCC1(C[NH2+][C@H](C)CCC[NH3+])CCOCC1 ZINC000309391941 385558629 /nfs/dbraw/zinc/55/86/29/385558629.db2.gz TWLHNPMORZDPHX-GFCCVEGCSA-N 2 0 228.380 1.910 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(C)cc1 ZINC000414847933 385603142 /nfs/dbraw/zinc/60/31/42/385603142.db2.gz WLLODYFABWOFDM-GFCCVEGCSA-N 2 0 206.333 1.940 20 0 BDADRP C[C@@H](C[NH3+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000235125609 259671347 /nfs/dbraw/zinc/67/13/47/259671347.db2.gz KQRNOLIKIDGFED-ZDUSSCGKSA-N 2 0 247.386 1.588 20 0 BDADRP C(N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000414849488 385623711 /nfs/dbraw/zinc/62/37/11/385623711.db2.gz RIHZYAPFFZASKR-REWJHTLYSA-N 2 0 237.391 1.249 20 0 BDADRP Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cn1 ZINC000414850232 385633427 /nfs/dbraw/zinc/63/34/27/385633427.db2.gz IBJYTCHLLKSQKW-JSGCOSHPSA-N 2 0 233.359 1.868 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)[C@H]1C ZINC000309509190 385644145 /nfs/dbraw/zinc/64/41/45/385644145.db2.gz WTUGMAIZUCCEPY-GRYCIOLGSA-N 2 0 226.364 1.077 20 0 BDADRP CC[NH+]1CCC(N[C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000414851301 385649892 /nfs/dbraw/zinc/64/98/92/385649892.db2.gz IYTAPQWFCWUDHR-OLZOCXBDSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@](C)(O)C1CC1 ZINC000336684217 385672722 /nfs/dbraw/zinc/67/27/22/385672722.db2.gz KFEZIWSGZXFCLH-ZYHUDNBSSA-N 2 0 214.353 1.255 20 0 BDADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCSC2)CC1 ZINC000307455228 385689475 /nfs/dbraw/zinc/68/94/75/385689475.db2.gz CGLLFSHMEZGDSO-NSHDSACASA-N 2 0 212.362 1.343 20 0 BDADRP C[NH2+]Cc1ccccc1NC[C@@H]1CCC[NH2+]C1 ZINC000414866679 385785665 /nfs/dbraw/zinc/78/56/65/385785665.db2.gz MFFXYDGPRKYVDV-GFCCVEGCSA-N 2 0 233.359 1.818 20 0 BDADRP CC[C@@H]1CCC[C@H]([NH2+]CCN2CC[NH2+]CC2)C1 ZINC000414860656 385743441 /nfs/dbraw/zinc/74/34/41/385743441.db2.gz CVYXFGYMUFJPSH-KGLIPLIRSA-N 2 0 239.407 1.450 20 0 BDADRP c1cn2c(n1)C[C@H]([NH2+]Cc1cncs1)CC2 ZINC000309619239 385751132 /nfs/dbraw/zinc/75/11/32/385751132.db2.gz OPJIDXNVMBMBFF-SECBINFHSA-N 2 0 234.328 1.444 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC000414863561 385757663 /nfs/dbraw/zinc/75/76/63/385757663.db2.gz XLHHQPXIJUTLIM-CYBMUJFWSA-N 2 0 248.370 1.752 20 0 BDADRP CCC[C@@H](O)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000336701443 385766544 /nfs/dbraw/zinc/76/65/44/385766544.db2.gz XUMUIAHGRUTDRN-WDEREUQCSA-N 2 0 202.342 1.255 20 0 BDADRP CCC[NH2+]CC[NH2+]C[C@H]1CCO[C@H](CC)C1 ZINC000414865481 385768612 /nfs/dbraw/zinc/76/86/12/385768612.db2.gz FPLIRUOBICVXJD-QWHCGFSZSA-N 2 0 228.380 1.781 20 0 BDADRP Cc1ncsc1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414865960 385772665 /nfs/dbraw/zinc/77/26/65/385772665.db2.gz ZZQBPJJZIOCTRR-GXSJLCMTSA-N 2 0 239.388 1.929 20 0 BDADRP c1n[nH]cc1CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000310972363 385778790 /nfs/dbraw/zinc/77/87/90/385778790.db2.gz RLYOGDNZKLGVFY-ZIAGYGMSSA-N 2 0 248.374 1.416 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@H](CCO)C(C)C ZINC000309666604 385780760 /nfs/dbraw/zinc/78/07/60/385780760.db2.gz ULGKZKYDEVAAEC-CYBMUJFWSA-N 2 0 230.396 1.715 20 0 BDADRP Cc1nccn1CC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000161856318 385781299 /nfs/dbraw/zinc/78/12/99/385781299.db2.gz TXLZBHXLTYGYMI-CYBMUJFWSA-N 2 0 236.363 1.075 20 0 BDADRP CC[C@@H](CSC)[NH2+][C@@H](C)CCC[NH3+] ZINC000308198831 385726011 /nfs/dbraw/zinc/72/60/11/385726011.db2.gz OQKOFPHUVQCYNU-UWVGGRQHSA-N 2 0 204.383 1.845 20 0 BDADRP C[C@H](CC1CCOCC1)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414946689 385809176 /nfs/dbraw/zinc/80/91/76/385809176.db2.gz JTHCPTBZMNYKIP-YRGRVCCFSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H](CC1CCOCC1)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414946687 385809612 /nfs/dbraw/zinc/80/96/12/385809612.db2.gz JTHCPTBZMNYKIP-DYEKYZERSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H](C[NH2+][C@H]1CCO[C@H](C)C1)C[NH+](C)C ZINC000336714748 385811991 /nfs/dbraw/zinc/81/19/91/385811991.db2.gz WEBKYTOZJAVIGZ-UTUOFQBUSA-N 2 0 214.353 1.341 20 0 BDADRP CCCC[C@H](C)[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000414952472 385825691 /nfs/dbraw/zinc/82/56/91/385825691.db2.gz IHUZNYAWAJBUNT-STQMWFEESA-N 2 0 228.380 1.923 20 0 BDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H](C)C[NH3+] ZINC000262022673 385835225 /nfs/dbraw/zinc/83/52/25/385835225.db2.gz AOJALJOQXZBHEM-LLVKDONJSA-N 2 0 249.358 1.590 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000414955141 385840492 /nfs/dbraw/zinc/84/04/92/385840492.db2.gz LJXUULZEUZOODI-JHJVBQTASA-N 2 0 228.380 1.778 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccno2)C1 ZINC000069724361 385854671 /nfs/dbraw/zinc/85/46/71/385854671.db2.gz VELXWNTYAXMGLO-JTQLQIEISA-N 2 0 209.293 1.235 20 0 BDADRP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCCO1 ZINC000647798130 385792891 /nfs/dbraw/zinc/79/28/91/385792891.db2.gz MEHBKEOJUAULSB-WUHRBBMRSA-N 2 0 224.348 1.143 20 0 BDADRP CCC1([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647798343 385794922 /nfs/dbraw/zinc/79/49/22/385794922.db2.gz PXYFQKYESHRAIG-GRYCIOLGSA-N 2 0 208.349 1.907 20 0 BDADRP Cc1noc([C@H](C)N2CCC([C@H](C)[NH3+])CC2)n1 ZINC000647832473 385884045 /nfs/dbraw/zinc/88/40/45/385884045.db2.gz KQTXERKGICJQIO-IUCAKERBSA-N 2 0 238.335 1.498 20 0 BDADRP [NH3+]C1(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CCC1 ZINC000414874647 385886657 /nfs/dbraw/zinc/88/66/57/385886657.db2.gz IRGAAONMTRSFRC-IJLUTSLNSA-N 2 0 236.359 1.415 20 0 BDADRP C[C@H]1[NH2+]CCC[C@H]1NCc1ccccc1N(C)C ZINC000414961769 385887854 /nfs/dbraw/zinc/88/78/54/385887854.db2.gz WDLQTLSSGDMEMJ-TZMCWYRMSA-N 2 0 247.386 1.983 20 0 BDADRP CC[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+][C@@H](C)C2)[C@@H](C)C1 ZINC000414961976 385890560 /nfs/dbraw/zinc/89/05/60/385890560.db2.gz ZLEPSDXVELHJAQ-FQUUOJAGSA-N 2 0 239.407 1.447 20 0 BDADRP CN(CCC[NH3+])Cc1noc2c1CCCC2 ZINC000647848139 385899465 /nfs/dbraw/zinc/89/94/65/385899465.db2.gz HADTXAYFTCQPAL-UHFFFAOYSA-N 2 0 223.320 1.334 20 0 BDADRP CC[NH+](CC)CCCN1CCCC[C@@H]1CO ZINC000338255235 385929278 /nfs/dbraw/zinc/92/92/78/385929278.db2.gz YIRGXUAHWZCOQW-CYBMUJFWSA-N 2 0 228.380 1.565 20 0 BDADRP C1=C(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)COCC1 ZINC000334502722 385925397 /nfs/dbraw/zinc/92/53/97/385925397.db2.gz JVKFQZDGRZKMCO-KGLIPLIRSA-N 2 0 236.359 1.550 20 0 BDADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccccc1N(C)C ZINC000414959594 385875852 /nfs/dbraw/zinc/87/58/52/385875852.db2.gz PXSIYMGZBPSQAC-GXTWGEPZSA-N 2 0 247.386 1.840 20 0 BDADRP COc1cccc(C[C@H](C)[NH2+]C[C@H](C)C[NH3+])n1 ZINC000414874194 385881274 /nfs/dbraw/zinc/88/12/74/385881274.db2.gz IMUCDMZQNZVDHO-MNOVXSKESA-N 2 0 237.347 1.206 20 0 BDADRP CC[NH+]1CCC([NH2+]CCC[C@H]2CCC[NH2+]2)CC1 ZINC000414961975 385882260 /nfs/dbraw/zinc/88/22/60/385882260.db2.gz JBYHKKSMYKUTKC-CYBMUJFWSA-N 3 0 239.407 1.593 20 0 BDADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000295131150 385976435 /nfs/dbraw/zinc/97/64/35/385976435.db2.gz OMSOQODVFJSWCI-CHWSQXEVSA-N 2 0 247.342 1.472 20 0 BDADRP CC[C@@H](COC)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414972010 385978698 /nfs/dbraw/zinc/97/86/98/385978698.db2.gz XEXCSDQTXSVTKE-NWDGAFQWSA-N 2 0 214.353 1.533 20 0 BDADRP CC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)C1CC1 ZINC000336747597 385978987 /nfs/dbraw/zinc/97/89/87/385978987.db2.gz XHTPYBABTDQWEA-LBPRGKRZSA-N 2 0 226.364 1.221 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC1CCSCC1 ZINC000335019781 385978860 /nfs/dbraw/zinc/97/88/60/385978860.db2.gz UIAIUYZNUHHJTR-GHMZBOCLSA-N 2 0 214.378 1.599 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC1(O)CCCCC1 ZINC000335042304 385935697 /nfs/dbraw/zinc/93/56/97/385935697.db2.gz JVXTUZGCLLXLLW-OLZOCXBDSA-N 2 0 240.391 1.931 20 0 BDADRP CC[NH2+][C@H](C)CN[C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000414968964 385945383 /nfs/dbraw/zinc/94/53/83/385945383.db2.gz YUIWJQGILMCMCX-QJPTWQEYSA-N 2 0 213.369 1.105 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000414879461 385950108 /nfs/dbraw/zinc/95/01/08/385950108.db2.gz PIXVNKLIPPZSSA-LBPRGKRZSA-N 2 0 244.342 1.557 20 0 BDADRP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)[C@H]1C[C@H]1C ZINC000414077928 385950761 /nfs/dbraw/zinc/95/07/61/385950761.db2.gz RNTWHPJMIYYEMC-VOAKCMCISA-N 2 0 226.364 1.077 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CCCC[C@H]1[C@H](C)O ZINC000338304731 385952249 /nfs/dbraw/zinc/95/22/49/385952249.db2.gz HKSZJMHPXDWCAF-KBPBESRZSA-N 2 0 242.407 1.954 20 0 BDADRP COc1cc(C)c(C[NH2+]C[C@@H](C)C[NH3+])c(C)n1 ZINC000414879478 385952309 /nfs/dbraw/zinc/95/23/09/385952309.db2.gz PMBCJXVIXTXXQW-VIFPVBQESA-N 2 0 237.347 1.391 20 0 BDADRP C[NH+](C)CCC[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000338326820 385960433 /nfs/dbraw/zinc/96/04/33/385960433.db2.gz UHXBKWQCJLMMOL-CQSZACIVSA-N 2 0 248.370 1.922 20 0 BDADRP CO[C@@H](C[NH+]1CCC([NH+](C)C)CC1)C1CC1 ZINC000425408038 385970042 /nfs/dbraw/zinc/97/00/42/385970042.db2.gz QSKFSXPXRYMOAP-ZDUSSCGKSA-N 2 0 226.364 1.437 20 0 BDADRP CO[C@H](C[NH+]1CCC(C[NH+](C)C)CC1)C1CC1 ZINC000425407498 385971317 /nfs/dbraw/zinc/97/13/17/385971317.db2.gz PRXBPTXODMCIBJ-CQSZACIVSA-N 2 0 240.391 1.685 20 0 BDADRP C[C@H]([NH2+][C@H]1CCc2nc[nH]c2C1)[C@H]1C[C@H]1C ZINC000414123988 385972165 /nfs/dbraw/zinc/97/21/65/385972165.db2.gz CJENJKDHSLPHQY-RCWTZXSCSA-N 2 0 219.332 1.901 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@@H]2CCC[C@H]2O)CC1 ZINC000335015810 385973813 /nfs/dbraw/zinc/97/38/13/385973813.db2.gz CJYYPVFGAWGVEJ-KIDURHIOSA-N 2 0 212.337 1.007 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)O1 ZINC000309256107 385997156 /nfs/dbraw/zinc/99/71/56/385997156.db2.gz GKCQIWUERKJXDV-XQHKEYJVSA-N 2 0 224.348 1.238 20 0 BDADRP C[C@H](CC[NH3+])[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000414881819 386005799 /nfs/dbraw/zinc/00/57/99/386005799.db2.gz LEZXLBUPUYPBBN-LLVKDONJSA-N 2 0 245.330 1.094 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000414881916 386009388 /nfs/dbraw/zinc/00/93/88/386009388.db2.gz SWXPXMLKOQILFC-ZCFIWIBFSA-N 2 0 236.241 1.113 20 0 BDADRP CCc1cc(OC)ccc1C[NH2+]C[C@H](C)C[NH3+] ZINC000414882316 386010753 /nfs/dbraw/zinc/01/07/53/386010753.db2.gz UATNSJAGNBFWBI-LLVKDONJSA-N 2 0 236.359 1.942 20 0 BDADRP C[C@@H](C[NH2+][C@H]1CCOC(C)(C)C1)C[NH+](C)C ZINC000309731392 386025124 /nfs/dbraw/zinc/02/51/24/386025124.db2.gz FGXMIQTZSVRTDE-RYUDHWBXSA-N 2 0 228.380 1.731 20 0 BDADRP COCC1(C[NH2+][C@H]2CCC[C@@H]2C)CC[NH2+]CC1 ZINC000414976640 386027575 /nfs/dbraw/zinc/02/75/75/386027575.db2.gz PNMPCCGAMVWOGP-STQMWFEESA-N 2 0 240.391 1.781 20 0 BDADRP CC[C@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)C(C)(C)O ZINC000340503791 386030090 /nfs/dbraw/zinc/03/00/90/386030090.db2.gz PFHIAGGGCDURBL-WXHSDQCUSA-N 2 0 240.391 1.608 20 0 BDADRP CCOC(=O)C1CCC([NH2+]C[C@H]([NH3+])CC)CC1 ZINC000414977359 386032161 /nfs/dbraw/zinc/03/21/61/386032161.db2.gz JSHVSXRPJCSUFI-MOENNCHZSA-N 2 0 242.363 1.435 20 0 BDADRP COC[C@@H]([NH2+]Cc1ccc2c[nH+]cn2c1)C1CC1 ZINC000414162429 386044862 /nfs/dbraw/zinc/04/48/62/386044862.db2.gz DLGMQSCDJTVGLQ-CQSZACIVSA-N 2 0 245.326 1.849 20 0 BDADRP C[C@@H](C[NH+]1CCCCC1)N[C@@H]1CCC[NH2+]CC1 ZINC000129105627 386049863 /nfs/dbraw/zinc/04/98/63/386049863.db2.gz ZYRFIKIQNONVFH-UONOGXRCSA-N 2 0 239.407 1.593 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCOC2)CC[N@@H+]1C ZINC000336728134 386051713 /nfs/dbraw/zinc/05/17/13/386051713.db2.gz CIUYYDMVPBTAFL-UPJWGTAASA-N 2 0 226.364 1.485 20 0 BDADRP COCC[NH2+]CCNC/C=C/c1ccccc1 ZINC000414888389 386104648 /nfs/dbraw/zinc/10/46/48/386104648.db2.gz RNNBTOHQQKIUMX-VMPITWQZSA-N 2 0 234.343 1.525 20 0 BDADRP C[NH2+]CC1CCN(C[C@@H]([NH3+])CC(C)C)CC1 ZINC000414663669 386110199 /nfs/dbraw/zinc/11/01/99/386110199.db2.gz BQIGHBNQAIERCT-ZDUSSCGKSA-N 2 0 227.396 1.291 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CCC([C@H](C)[NH3+])CC1 ZINC000414665784 386114463 /nfs/dbraw/zinc/11/44/63/386114463.db2.gz FSXVTXWWVQQYBO-AAEUAGOBSA-N 2 0 227.396 1.419 20 0 BDADRP CCCC[N@H+](CCO)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414666172 386116791 /nfs/dbraw/zinc/11/67/91/386116791.db2.gz FWXYHRVGHBGOGE-CHWSQXEVSA-N 2 0 228.380 1.469 20 0 BDADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CC2CCC2)CC1 ZINC000335186841 386124201 /nfs/dbraw/zinc/12/42/01/386124201.db2.gz XAQLCKUNOQQGBK-KGLIPLIRSA-N 2 0 238.375 1.615 20 0 BDADRP C[NH2+]CCC1CC[NH+](CC2(C[NH3+])CC2)CC1 ZINC000414667318 386120555 /nfs/dbraw/zinc/12/05/55/386120555.db2.gz YGSCNFLLYDQYKN-UHFFFAOYSA-N 3 0 225.380 1.047 20 0 BDADRP CC[C@@]1(CO)CCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000189671501 386058794 /nfs/dbraw/zinc/05/87/94/386058794.db2.gz VJBQEEIQVLEXDQ-KBPBESRZSA-N 2 0 240.391 1.708 20 0 BDADRP COc1ccccc1/C=C/C[NH2+]C[C@@H](C)C[NH3+] ZINC000414885502 386060818 /nfs/dbraw/zinc/06/08/18/386060818.db2.gz XAKSFIKUFWLKTI-PZBABLGHSA-N 2 0 234.343 1.893 20 0 BDADRP c1cn(CCC[N@@H+]2CCOCC23CC3)cn1 ZINC000338594351 386070756 /nfs/dbraw/zinc/07/07/56/386070756.db2.gz XYXOLBMGOFYYEY-UHFFFAOYSA-N 2 0 221.304 1.138 20 0 BDADRP C[NH2+]C[C@@H]1CCCN(C[C@@H]([NH3+])CC(C)C)C1 ZINC000414651158 386070953 /nfs/dbraw/zinc/07/09/53/386070953.db2.gz FGYXTOPHTUSGHY-STQMWFEESA-N 2 0 227.396 1.291 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414651753 386073240 /nfs/dbraw/zinc/07/32/40/386073240.db2.gz GDBKRLJNFOJCQL-MJBXVCDLSA-N 3 0 239.407 1.306 20 0 BDADRP CC[C@@H]([NH2+][C@H](C)CCCC[NH3+])C(C)(C)O ZINC000394006421 386074921 /nfs/dbraw/zinc/07/49/21/386074921.db2.gz XXUARPCGIRYORF-GHMZBOCLSA-N 2 0 216.369 1.643 20 0 BDADRP CO[C@H](C)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365404140 386077218 /nfs/dbraw/zinc/07/72/18/386077218.db2.gz OUJYRWYDGFKLSK-NEPJUHHUSA-N 2 0 214.353 1.437 20 0 BDADRP OCC[N@H+](CCCC1CC[NH2+]CC1)C1CC1 ZINC000647877554 386151329 /nfs/dbraw/zinc/15/13/29/386151329.db2.gz VACIOENEZDJRBK-UHFFFAOYSA-N 2 0 226.364 1.223 20 0 BDADRP CO[C@H](C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)C1CC1 ZINC000425482443 386153169 /nfs/dbraw/zinc/15/31/69/386153169.db2.gz QSJVNYVQWBFNBO-ZIAGYGMSSA-N 2 0 240.391 1.828 20 0 BDADRP Cc1cccc2ncc(C[NH2+][C@H](C)CC[NH3+])n21 ZINC000414893162 386157035 /nfs/dbraw/zinc/15/70/35/386157035.db2.gz XZJXRHVLECTFDQ-SNVBAGLBSA-N 2 0 232.331 1.470 20 0 BDADRP Cc1ccc(CCC[NH2+][C@H](C)CC[NH3+])cn1 ZINC000414894404 386173850 /nfs/dbraw/zinc/17/38/50/386173850.db2.gz LHXWRLMPXPBKJN-GFCCVEGCSA-N 2 0 221.348 1.650 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414995225 386174520 /nfs/dbraw/zinc/17/45/20/386174520.db2.gz NJBINNPYRYGGJW-BFKVFCTQSA-N 3 0 237.391 1.092 20 0 BDADRP CCCn1cc(C[NH2+][C@@H](C)CC[NH3+])cn1 ZINC000414894622 386175968 /nfs/dbraw/zinc/17/59/68/386175968.db2.gz ZSCQWMVUWSNKQZ-JTQLQIEISA-N 2 0 210.325 1.120 20 0 BDADRP Nc1ccc(NC(=O)CC[C@@H]2CCC[NH2+]2)cn1 ZINC000296473948 386176195 /nfs/dbraw/zinc/17/61/95/386176195.db2.gz PQFYYDVMCQFWLO-VIFPVBQESA-N 2 0 234.303 1.135 20 0 BDADRP C[C@@H]1C[C@@H](N(C)CC[NH2+]C(C)(C)C)CC[N@@H+]1C ZINC000414692633 386183612 /nfs/dbraw/zinc/18/36/12/386183612.db2.gz CYNCVMQBVQWEAC-OLZOCXBDSA-N 2 0 241.423 1.789 20 0 BDADRP C[C@H](CC[NH3+])N[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000414896359 386201361 /nfs/dbraw/zinc/20/13/61/386201361.db2.gz OTFCADZBZYRUQI-BPLDGKMQSA-N 2 0 247.386 1.807 20 0 BDADRP COCC(C)(C)[NH2+]C[C@@H]([NH3+])CC(C)C ZINC000414703998 386210153 /nfs/dbraw/zinc/21/01/53/386210153.db2.gz JCMYMPKTDQFSLB-JTQLQIEISA-N 2 0 202.342 1.374 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCSC1 ZINC000414998973 386210574 /nfs/dbraw/zinc/21/05/74/386210574.db2.gz RGHHPVOPLGEORW-VFPQWFPESA-N 2 0 240.416 1.845 20 0 BDADRP COC(=O)C[N@H+](C[C@H]1CC[NH2+][C@H](C)C1)C1CC1 ZINC000414706273 386219875 /nfs/dbraw/zinc/21/98/75/386219875.db2.gz LKAQPSNMAZRHPK-MNOVXSKESA-N 2 0 240.347 1.012 20 0 BDADRP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000132125077 386221250 /nfs/dbraw/zinc/22/12/50/386221250.db2.gz KNSNKKINJAXLGH-DGCLKSJQSA-N 2 0 248.374 1.387 20 0 BDADRP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000132125271 386221351 /nfs/dbraw/zinc/22/13/51/386221351.db2.gz KNSNKKINJAXLGH-YPMHNXCESA-N 2 0 248.374 1.387 20 0 BDADRP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000132125429 386222697 /nfs/dbraw/zinc/22/26/97/386222697.db2.gz KNSNKKINJAXLGH-WCQYABFASA-N 2 0 248.374 1.387 20 0 BDADRP CC(C)(C)[NH2+]CCNCC[C@H]1CCC[NH2+]1 ZINC000414898485 386229243 /nfs/dbraw/zinc/22/92/43/386229243.db2.gz AMHGKNAHNFIUJB-LLVKDONJSA-N 2 0 213.369 1.106 20 0 BDADRP C[C@H]1CN(C)C[C@@H]1[NH2+]CCN1CCCCCC1 ZINC000343195056 386237873 /nfs/dbraw/zinc/23/78/73/386237873.db2.gz ZSBMVUMVIULPOX-KBPBESRZSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@@H](O)C[N@H+](C[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000647884068 386251892 /nfs/dbraw/zinc/25/18/92/386251892.db2.gz CUZABZIFKNEQHA-CHWSQXEVSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@@H]1CNC[C@H](C)[N@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414719362 386252713 /nfs/dbraw/zinc/25/27/13/386252713.db2.gz XZMUIILOPTULSV-WUHRBBMRSA-N 2 0 225.380 1.057 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+]C[C@H]([NH3+])C2CC2)CCO1 ZINC000414895779 386193430 /nfs/dbraw/zinc/19/34/30/386193430.db2.gz ZLLFKIDBYPMEJG-RTXFEEFZSA-N 2 0 226.364 1.519 20 0 BDADRP Cc1cncc(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000310513785 386196097 /nfs/dbraw/zinc/19/60/97/386196097.db2.gz UYASSWBAODAKFC-KGLIPLIRSA-N 2 0 231.343 1.574 20 0 BDADRP CCSCC[C@@H](C)[N@H+](C)CCC[NH3+] ZINC000414698534 386199477 /nfs/dbraw/zinc/19/94/77/386199477.db2.gz CYBUCAFRKPHBQE-SNVBAGLBSA-N 2 0 204.383 1.799 20 0 BDADRP CCOC[C@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647885772 386285965 /nfs/dbraw/zinc/28/59/65/386285965.db2.gz OMXNPAQXFVMKGP-OLZOCXBDSA-N 2 0 226.364 1.344 20 0 BDADRP CC(C)[N@H+](C)CC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000236649353 386296656 /nfs/dbraw/zinc/29/66/56/386296656.db2.gz GINDQIBPYMWFRR-ZDUSSCGKSA-N 2 0 249.358 1.143 20 0 BDADRP C[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)[C@@H](CN)C1 ZINC000335266633 386304992 /nfs/dbraw/zinc/30/49/92/386304992.db2.gz BVTPCLQBRZXIPV-DGCLKSJQSA-N 2 0 225.380 1.045 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414901563 386307763 /nfs/dbraw/zinc/30/77/63/386307763.db2.gz GEMXWHOYWSOVIQ-MCIONIFRSA-N 2 0 239.407 1.496 20 0 BDADRP Cc1cc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)nn1C ZINC000415006215 386313427 /nfs/dbraw/zinc/31/34/27/386313427.db2.gz KERNLEVSEXRCAU-UONOGXRCSA-N 2 0 248.374 1.206 20 0 BDADRP C([C@H]1CC[NH2+]C1)[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000647988758 386318906 /nfs/dbraw/zinc/31/89/06/386318906.db2.gz IGFJSTFNIFFJTI-JSGCOSHPSA-N 2 0 238.375 1.487 20 0 BDADRP C[NH+](C)C1CC[NH+](CC2(C)COC2)CC1 ZINC000336650441 386262999 /nfs/dbraw/zinc/26/29/99/386262999.db2.gz SWBAUMGSWVQWRA-UHFFFAOYSA-N 2 0 212.337 1.049 20 0 BDADRP CO[C@@H](C)C[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000336682271 386342006 /nfs/dbraw/zinc/34/20/06/386342006.db2.gz JIZAJPNDZDJXSE-NWDGAFQWSA-N 2 0 214.353 1.437 20 0 BDADRP C[C@@H](O)CCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000336682771 386342077 /nfs/dbraw/zinc/34/20/77/386342077.db2.gz FDABTLCNCJDMGS-KGLIPLIRSA-N 2 0 240.391 1.565 20 0 BDADRP C[C@H](O)C[C@@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000336682272 386342375 /nfs/dbraw/zinc/34/23/75/386342375.db2.gz DCSVBYNZANCCEL-IHRRRGAJSA-N 2 0 240.391 1.706 20 0 BDADRP C[C@@H]1C[C@@H](C[N@H+](C)CCCCCO)CC[NH2+]1 ZINC000414745580 386352613 /nfs/dbraw/zinc/35/26/13/386352613.db2.gz PMGALBBFCDOWLC-OLZOCXBDSA-N 2 0 228.380 1.469 20 0 BDADRP COC[C@@H]1CC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000336691852 386362967 /nfs/dbraw/zinc/36/29/67/386362967.db2.gz CLHBKWRFYWRORB-CHWSQXEVSA-N 2 0 226.364 1.439 20 0 BDADRP Cc1ccc([C@@H](CNC(=O)CC[NH3+])[NH+](C)C)cc1 ZINC000237190529 386364433 /nfs/dbraw/zinc/36/44/33/386364433.db2.gz GTGPUMNMRXZWAX-CYBMUJFWSA-N 2 0 249.358 1.063 20 0 BDADRP Cc1nocc1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000339341392 386374293 /nfs/dbraw/zinc/37/42/93/386374293.db2.gz ATYFMYUDUZCLMT-UHFFFAOYSA-N 2 0 237.347 1.805 20 0 BDADRP CC[C@H]([NH2+]CCC[NH+]1CCCC1)[C@H]1CCOC1 ZINC000310228284 386376711 /nfs/dbraw/zinc/37/67/11/386376711.db2.gz OKOARCCEFWFVJW-KBPBESRZSA-N 2 0 240.391 1.877 20 0 BDADRP CCCCOC1CC[NH+](CCC[NH3+])CC1 ZINC000414742507 386327949 /nfs/dbraw/zinc/32/79/49/386327949.db2.gz MMAWYMSHUYWIQY-UHFFFAOYSA-N 2 0 214.353 1.616 20 0 BDADRP Cc1cccn2c(CN[C@H](C)[C@H](C)[NH3+])cnc12 ZINC000415006634 386331737 /nfs/dbraw/zinc/33/17/37/386331737.db2.gz KTTHIVGJIRHNBN-WDEREUQCSA-N 2 0 232.331 1.468 20 0 BDADRP CC[N@@H+]1C[C@H](C)N(C[C@H]2CC[NH2+]C2)C[C@@H]1C ZINC000647989118 386337145 /nfs/dbraw/zinc/33/71/45/386337145.db2.gz LCKBIKAKBAVQCX-AVGNSLFASA-N 2 0 225.380 1.010 20 0 BDADRP CO[C@H](C)CC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000336754444 386439845 /nfs/dbraw/zinc/43/98/45/386439845.db2.gz HIBQMXHUHBQYMI-IJLUTSLNSA-N 2 0 214.353 1.484 20 0 BDADRP C[C@H](CN1CCCCC1)[NH2+]C1CCC([NH3+])CC1 ZINC000094085794 386444757 /nfs/dbraw/zinc/44/47/57/386444757.db2.gz CABKESYKZONYMJ-IYXRBSQSSA-N 2 0 239.407 1.720 20 0 BDADRP C([NH2+][C@@H]1CCCC12CCOCC2)[C@H]1CC[NH2+]C1 ZINC000647992573 386447347 /nfs/dbraw/zinc/44/73/47/386447347.db2.gz PKPXTYUURNKMRD-QWHCGFSZSA-N 2 0 238.375 1.535 20 0 BDADRP CC(C)(C)[NH2+]CCN1CCC2(CC[NH2+]C2)CC1 ZINC000414768799 386449396 /nfs/dbraw/zinc/44/93/96/386449396.db2.gz LHLVTFJSKXIZQR-UHFFFAOYSA-N 2 0 239.407 1.450 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+](C)[C@@H]2CCC[NH2+]CC2)CC[NH2+]1 ZINC000414753674 386388609 /nfs/dbraw/zinc/38/86/09/386388609.db2.gz QPLUXLMVDWURAZ-MGPQQGTHSA-N 2 0 239.407 1.448 20 0 BDADRP CCCN(CCC[NH3+])[C@@H](CC)C(=O)OCC ZINC000414753602 386389788 /nfs/dbraw/zinc/38/97/88/386389788.db2.gz DYYLLIFNXJFLPU-NSHDSACASA-N 2 0 230.352 1.389 20 0 BDADRP CC[C@](C)(CO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000336704244 386393166 /nfs/dbraw/zinc/39/31/66/386393166.db2.gz PTAFEPPPCQQHOD-JHJVBQTASA-N 2 0 226.364 1.364 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCN(C)[C@H](C)[C@@H]2C)CC[NH2+]1 ZINC000414757454 386402484 /nfs/dbraw/zinc/40/24/84/386402484.db2.gz LDUXQYWMKZZYJT-YIYPIFLZSA-N 2 0 239.407 1.399 20 0 BDADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@@H]1CCCO1 ZINC000336732713 386402582 /nfs/dbraw/zinc/40/25/82/386402582.db2.gz FZYTUWRPYOMIOV-YPMHNXCESA-N 2 0 224.348 1.405 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCN(C)[C@H](C)[C@H]2C)CC[NH2+]1 ZINC000414757451 386403327 /nfs/dbraw/zinc/40/33/27/386403327.db2.gz LDUXQYWMKZZYJT-AAVRWANBSA-N 2 0 239.407 1.399 20 0 BDADRP COCC[C@@H]1CCCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647991127 386409348 /nfs/dbraw/zinc/40/93/48/386409348.db2.gz AWJYLKWSHQQHQG-UONOGXRCSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@@H]1C[C@@H](C[N@H+](C)CC[C@H]2CCCO2)CC[NH2+]1 ZINC000414759965 386413765 /nfs/dbraw/zinc/41/37/65/386413765.db2.gz PMEINXCSWQWPLN-HZSPNIEDSA-N 2 0 240.391 1.875 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](CC2(O)CCCC2)C1 ZINC000336707716 386414466 /nfs/dbraw/zinc/41/44/66/386414466.db2.gz HMYHKABDRGEOAI-ZDUSSCGKSA-N 2 0 240.391 1.565 20 0 BDADRP C1C[NH2+][C@H]([C@@H]2CCC[C@H]2[NH2+][C@@H]2CCCOC2)C1 ZINC000093453298 386415782 /nfs/dbraw/zinc/41/57/82/386415782.db2.gz VLLHPIXBQIXUPB-ZOBORPQBSA-N 2 0 238.375 1.676 20 0 BDADRP CCC1(O)CC[NH+](CCn2ccnc2)CC1 ZINC000336710450 386424055 /nfs/dbraw/zinc/42/40/55/386424055.db2.gz ZBGCIZQYHIGGGR-UHFFFAOYSA-N 2 0 223.320 1.120 20 0 BDADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCC[C@@H](C)O)C1 ZINC000336732726 386469267 /nfs/dbraw/zinc/46/92/67/386469267.db2.gz ZTIQETXGFGDPML-ZIAGYGMSSA-N 2 0 242.407 1.811 20 0 BDADRP C[NH+](C)CCCC[NH2+]Cc1c[nH]c2nccnc12 ZINC000290795627 386474830 /nfs/dbraw/zinc/47/48/30/386474830.db2.gz DPXRQQBVZGZTMU-UHFFFAOYSA-N 2 0 247.346 1.389 20 0 BDADRP NC[C@@H]([NH2+]C1CCC(C[NH3+])CC1)C1CCCC1 ZINC000415043622 386529285 /nfs/dbraw/zinc/52/92/85/386529285.db2.gz ASINIUGOTVTLMM-UXUKBGGZSA-N 2 0 239.407 1.611 20 0 BDADRP CN(C)c1ccccc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000414913992 386498507 /nfs/dbraw/zinc/49/85/07/386498507.db2.gz JYZVPTRSVXDLPP-CQSZACIVSA-N 2 0 247.386 1.984 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415015769 386499987 /nfs/dbraw/zinc/49/99/87/386499987.db2.gz ZIJAXSWVRCUFCK-KWCYVHTRSA-N 2 0 248.374 1.249 20 0 BDADRP COc1cc(CN[C@@H](C)[C@H](C)[NH3+])ccc1C ZINC000415017699 386504227 /nfs/dbraw/zinc/50/42/27/386504227.db2.gz QKDDVASKIGNERX-QWRGUYRKSA-N 2 0 222.332 1.829 20 0 BDADRP CCc1ncc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)s1 ZINC000415050298 386505833 /nfs/dbraw/zinc/50/58/33/386505833.db2.gz YKBDFGHFPDSTMF-VHSXEESVSA-N 2 0 239.388 1.923 20 0 BDADRP [NH3+]CCC[C@H](N[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000415050608 386505973 /nfs/dbraw/zinc/50/59/73/386505973.db2.gz IVITYBSQMSHLIO-GJZGRUSLSA-N 2 0 247.386 1.808 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000335444944 386508736 /nfs/dbraw/zinc/50/87/36/386508736.db2.gz MJGOZGAZWJEFPS-ZWNOBZJWSA-N 2 0 247.342 1.270 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+][C@H](C)CCC[NH3+])CCO1 ZINC000415019721 386509607 /nfs/dbraw/zinc/50/96/07/386509607.db2.gz ILVYBDNWIRXNTO-JHJVBQTASA-N 2 0 228.380 1.909 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)[C@H](C)C1 ZINC000415042496 386529881 /nfs/dbraw/zinc/52/98/81/386529881.db2.gz QORNCTGESNTGEX-SYQHCUMBSA-N 2 0 240.391 1.779 20 0 BDADRP Cc1nc(F)ccc1C[NH2+]CCCC[NH+](C)C ZINC000278307877 386510758 /nfs/dbraw/zinc/51/07/58/386510758.db2.gz CUDUNVMTJSELQK-UHFFFAOYSA-N 2 0 239.338 1.961 20 0 BDADRP CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000339664397 386512796 /nfs/dbraw/zinc/51/27/96/386512796.db2.gz CDVRIWYHYDFADR-FUNVUKJBSA-N 2 0 226.364 1.580 20 0 BDADRP Cc1nc2ccccn2c1C[NH2+][C@H](C)CCC[NH3+] ZINC000415026163 386513333 /nfs/dbraw/zinc/51/33/33/386513333.db2.gz SRPKISFQTUUQGH-LLVKDONJSA-N 2 0 246.358 1.860 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000415025835 386514785 /nfs/dbraw/zinc/51/47/85/386514785.db2.gz RUKHCVDFEUYHLI-YVECIDJPSA-N 2 0 238.375 1.661 20 0 BDADRP CC(C)(C)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000414784540 386514698 /nfs/dbraw/zinc/51/46/98/386514698.db2.gz ILOPFKHQVHWQFS-OLZOCXBDSA-N 2 0 240.391 1.861 20 0 BDADRP Cc1ccncc1C[NH+]1CCC(C[NH3+])CC1 ZINC000135498934 386515421 /nfs/dbraw/zinc/51/54/21/386515421.db2.gz MSEKYRYVTWXCEW-UHFFFAOYSA-N 2 0 219.332 1.561 20 0 BDADRP COCCC1(C[NH2+][C@@H](C)CCC[NH3+])CCC1 ZINC000415026399 386516306 /nfs/dbraw/zinc/51/63/06/386516306.db2.gz UFPATOAVWZJSPM-LBPRGKRZSA-N 2 0 228.380 1.910 20 0 BDADRP Cc1ccc(O)c(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)n1 ZINC000415028047 386516468 /nfs/dbraw/zinc/51/64/68/386516468.db2.gz BYBSCXHWPJXKLS-MNOVXSKESA-N 2 0 235.331 1.313 20 0 BDADRP CCCC[C@H](COC)[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415027601 386517309 /nfs/dbraw/zinc/51/73/09/386517309.db2.gz BFYZOBXXCQIUCQ-FRRDWIJNSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@H]1C[C@H](C[N@H+](C)C2CC[NH2+]CC2)CC[NH2+]1 ZINC000335448073 386517878 /nfs/dbraw/zinc/51/78/78/386517878.db2.gz LRWFAAXFMMVHGU-NWDGAFQWSA-N 2 0 225.380 1.058 20 0 BDADRP CC1(C[NH2+]CC[C@@H]2CCOC2)CC[NH2+]CC1 ZINC000414915229 386517895 /nfs/dbraw/zinc/51/78/95/386517895.db2.gz ZFNDLOFGOIDMPH-GFCCVEGCSA-N 2 0 226.364 1.392 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C[C@H]1C ZINC000415030612 386518624 /nfs/dbraw/zinc/51/86/24/386518624.db2.gz CSBSBZFMPXPUNB-MQYQWHSLSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@H](C[NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000415032682 386519113 /nfs/dbraw/zinc/51/91/13/386519113.db2.gz GIPGUTFZZXELNJ-HIFRSBDPSA-N 2 0 248.370 1.758 20 0 BDADRP C[C@@H](C[NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000415032685 386519355 /nfs/dbraw/zinc/51/93/55/386519355.db2.gz GIPGUTFZZXELNJ-ZFWWWQNUSA-N 2 0 248.370 1.758 20 0 BDADRP CC[C@@H]1CCC[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000415032518 386519524 /nfs/dbraw/zinc/51/95/24/386519524.db2.gz HMDRKUCFZVKHEH-KVSVUVNWSA-N 2 0 208.349 1.763 20 0 BDADRP C[C@@H](C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1 ZINC000415036846 386523409 /nfs/dbraw/zinc/52/34/09/386523409.db2.gz MILODPWHXJYXGV-SCUASFONSA-N 2 0 216.328 1.598 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+][C@@H]2CC[NH2+]C2(C)C)CCO1 ZINC000415037981 386523799 /nfs/dbraw/zinc/52/37/99/386523799.db2.gz LRDCIOADEIILRO-JHJVBQTASA-N 2 0 240.391 1.922 20 0 BDADRP CCOC[C@H](C)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415036581 386524419 /nfs/dbraw/zinc/52/44/19/386524419.db2.gz LOYRTMSWCPXHEA-GARJFASQSA-N 2 0 200.326 1.128 20 0 BDADRP CCCC[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415035970 386524444 /nfs/dbraw/zinc/52/44/44/386524444.db2.gz JMDQVDROYMRDPJ-NEPJUHHUSA-N 2 0 214.353 1.533 20 0 BDADRP CCC(CC)C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415036390 386524673 /nfs/dbraw/zinc/52/46/73/386524673.db2.gz JTLSIUJFLUMNAL-LBPRGKRZSA-N 2 0 214.353 1.391 20 0 BDADRP C1CC([C@H]2CC[C@@H]2[NH2+]C2CC[NH2+]CC2)C1 ZINC000335452325 386526405 /nfs/dbraw/zinc/52/64/05/386526405.db2.gz OIMYWUVDHXPNIV-OLZOCXBDSA-N 2 0 208.349 1.907 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C1 ZINC000415042065 386527100 /nfs/dbraw/zinc/52/71/00/386527100.db2.gz QEADATFQGKNCQU-GRYCIOLGSA-N 2 0 212.337 1.143 20 0 BDADRP CC(C)CC[C@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000414787541 386527735 /nfs/dbraw/zinc/52/77/35/386527735.db2.gz YZBPURVXBYBNOH-AWEZNQCLSA-N 2 0 241.423 1.696 20 0 BDADRP CC(C)n1nccc1CN[C@H]1CC[NH2+]C1(C)C ZINC000415038994 386527759 /nfs/dbraw/zinc/52/77/59/386527759.db2.gz MWARQRLCXXWJFF-LBPRGKRZSA-N 2 0 236.363 1.694 20 0 BDADRP COCC(C)(C)C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415040287 386527863 /nfs/dbraw/zinc/52/78/63/386527863.db2.gz OWFRTGWXQSPHAD-WDEREUQCSA-N 2 0 214.353 1.376 20 0 BDADRP C(CN1CC[N@@H+]2CCCC[C@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000094440698 386453258 /nfs/dbraw/zinc/45/32/58/386453258.db2.gz YTWZVWYPEHKWGM-KBPBESRZSA-N 2 0 237.391 1.156 20 0 BDADRP Cc1cc(C[NH2+][C@H](C)CCCC[NH3+])ccn1 ZINC000391157768 386458854 /nfs/dbraw/zinc/45/88/54/386458854.db2.gz RZGDPLHJMWLFSC-LLVKDONJSA-N 2 0 221.348 1.997 20 0 BDADRP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)[C@H]1CCCO1 ZINC000336644720 386594447 /nfs/dbraw/zinc/59/44/47/386594447.db2.gz CMQNKFNDYFPBAI-VXGBXAGGSA-N 2 0 228.380 1.731 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC000415082379 386598947 /nfs/dbraw/zinc/59/89/47/386598947.db2.gz LQUIJKVEAKRJTD-CHWSQXEVSA-N 2 0 228.380 1.373 20 0 BDADRP CC(C)n1cc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cn1 ZINC000415045002 386531103 /nfs/dbraw/zinc/53/11/03/386531103.db2.gz SWRGQXRSDHUPPI-YPMHNXCESA-N 2 0 236.363 1.681 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)C1CCC1 ZINC000415045228 386531695 /nfs/dbraw/zinc/53/16/95/386531695.db2.gz TVBMMNIKWXGACI-CMPLNLGQSA-N 2 0 212.337 1.143 20 0 BDADRP CCC[C@@H](CC)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415045217 386531927 /nfs/dbraw/zinc/53/19/27/386531927.db2.gz SZURJZKITLVXTE-VXGBXAGGSA-N 2 0 214.353 1.533 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H](C)C1 ZINC000415046919 386533578 /nfs/dbraw/zinc/53/35/78/386533578.db2.gz XYFLUWPEFCXDKX-DZDPUUJWSA-N 2 0 208.349 1.619 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415047083 386533801 /nfs/dbraw/zinc/53/38/01/386533801.db2.gz AFEOQYYJQLYNQL-YIYPIFLZSA-N 2 0 239.407 1.434 20 0 BDADRP C[C@]1(CNc2ccc(C[NH3+])cc2)CC[NH2+]C1 ZINC000414917476 386534373 /nfs/dbraw/zinc/53/43/73/386534373.db2.gz VUPLVIPKYIYDOT-ZDUSSCGKSA-N 2 0 219.332 1.557 20 0 BDADRP CC[C@H](C)C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415046718 386534624 /nfs/dbraw/zinc/53/46/24/386534624.db2.gz VDMKCLACQHLWLC-QWRGUYRKSA-N 2 0 200.326 1.001 20 0 BDADRP Cc1nn(C)c(C)c1CNC[C@H]([NH3+])C(C)C ZINC000414802776 386596769 /nfs/dbraw/zinc/59/67/69/386596769.db2.gz VXIBQDGHJLZWBU-LBPRGKRZSA-N 2 0 224.352 1.110 20 0 BDADRP C[C@@H]1CC2(C[N@@H+]1C[C@H]1CC[NH2+]C1)CC[NH2+]CC2 ZINC000647995363 386539102 /nfs/dbraw/zinc/53/91/02/386539102.db2.gz RPIGZJNYKRHUMH-OLZOCXBDSA-N 3 0 237.391 1.060 20 0 BDADRP COC(=O)C1CCC([NH2+]C[C@@H]([NH3+])C(C)C)CC1 ZINC000414790783 386547070 /nfs/dbraw/zinc/54/70/70/386547070.db2.gz GWBRQBYZAYKTKU-HTAVTVPLSA-N 2 0 242.363 1.291 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN[C@H](C[NH3+])C1CCCC1 ZINC000415065867 386549485 /nfs/dbraw/zinc/54/94/85/386549485.db2.gz NTNLLVSINSDQEE-CHWSQXEVSA-N 2 0 227.396 1.467 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CN(C)CCN1C)C1CCC1 ZINC000336756276 386563256 /nfs/dbraw/zinc/56/32/56/386563256.db2.gz YLHOZCWLCJYTJW-WCQYABFASA-N 2 0 225.380 1.010 20 0 BDADRP Cc1cccc(CC[NH2+]CC2CC[NH2+]CC2)n1 ZINC000415105592 386624935 /nfs/dbraw/zinc/62/49/35/386624935.db2.gz MQJGYTZXGKMMTK-UHFFFAOYSA-N 2 0 233.359 1.522 20 0 BDADRP CCC([NH3+])(CC)C[NH2+]C[C@H]1CCSC1 ZINC000414810844 386633368 /nfs/dbraw/zinc/63/33/68/386633368.db2.gz OSNNIVKNGBXHSA-SNVBAGLBSA-N 2 0 216.394 1.847 20 0 BDADRP C[NH+](C)CCOCC[NH2+]C1CC(C)(C)C1 ZINC000336758429 386634161 /nfs/dbraw/zinc/63/41/61/386634161.db2.gz JWGPOZRSGYKDJT-UHFFFAOYSA-N 2 0 214.353 1.343 20 0 BDADRP CCCC[C@@H](COC)[NH2+][C@H](CN)C1CC1 ZINC000414814035 386636202 /nfs/dbraw/zinc/63/62/02/386636202.db2.gz RHQLWOUVDOTDIG-NWDGAFQWSA-N 2 0 214.353 1.519 20 0 BDADRP C[NH+](C)CCNC1CC[NH+](C(C)(C)C)CC1 ZINC000336782841 386652230 /nfs/dbraw/zinc/65/22/30/386652230.db2.gz YUEVNBVJUQYMAA-UHFFFAOYSA-N 2 0 227.396 1.401 20 0 BDADRP CO[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000415082378 386599292 /nfs/dbraw/zinc/59/92/92/386599292.db2.gz OGBYMPZNOKXDQX-RWMBFGLXSA-N 2 0 226.364 1.676 20 0 BDADRP CCOCCC1(C[NH2+][C@H]2CC[NH2+]C2)CCCC1 ZINC000415082259 386599880 /nfs/dbraw/zinc/59/98/80/386599880.db2.gz CYFOJIFUUCWRBD-ZDUSSCGKSA-N 2 0 240.391 1.925 20 0 BDADRP Cc1cccnc1C[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000415086604 386605288 /nfs/dbraw/zinc/60/52/88/386605288.db2.gz UXGGQCLPNILZOF-OLZOCXBDSA-N 2 0 233.359 1.868 20 0 BDADRP CC(C)C[C@H]([NH3+])CNCC[N@H+](C)C1CCCC1 ZINC000415087200 386606824 /nfs/dbraw/zinc/60/68/24/386606824.db2.gz VNJGSHMXKYUYAR-ZDUSSCGKSA-N 2 0 241.423 1.824 20 0 BDADRP C([NH2+][C@@H]1CCC12CCC2)[C@H]1C[NH2+]CCCO1 ZINC000335489396 386607546 /nfs/dbraw/zinc/60/75/46/386607546.db2.gz VLJHLKIBNXEJSO-VXGBXAGGSA-N 2 0 224.348 1.287 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000520230547 386607958 /nfs/dbraw/zinc/60/79/58/386607958.db2.gz TZFZJCAJQLLQSP-UWVGGRQHSA-N 2 0 235.331 1.001 20 0 BDADRP CCCC[C@@H](C[NH3+])N[C@H]1CCC[NH2+]CC1 ZINC000414805207 386612144 /nfs/dbraw/zinc/61/21/44/386612144.db2.gz AGFSWKJXBKOLAG-RYUDHWBXSA-N 2 0 213.369 1.236 20 0 BDADRP C[C@H]([NH3+])c1ccc(CN[C@H]2CC[NH2+]C2)cc1 ZINC000414807353 386617492 /nfs/dbraw/zinc/61/74/92/386617492.db2.gz CSHDRVSFLJGOHW-GWCFXTLKSA-N 3 0 219.332 1.158 20 0 BDADRP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000428119850 386661146 /nfs/dbraw/zinc/66/11/46/386661146.db2.gz JJYALWSVTMZAJC-RYUDHWBXSA-N 2 0 241.379 1.057 20 0 BDADRP CN(C[C@H]1CCC[NH2+]C1)CC1([NH+](C)C)CCC1 ZINC000097928139 386668766 /nfs/dbraw/zinc/66/87/66/386668766.db2.gz IQLNTGTUGVJTFM-ZDUSSCGKSA-N 2 0 239.407 1.402 20 0 BDADRP C1C[C@@]2(CO1)CCC[N@@H+]([C@@H]1CCC[NH2+]CC1)C2 ZINC000335525690 386669302 /nfs/dbraw/zinc/66/93/02/386669302.db2.gz PSBLZUOIWQIBSG-KGLIPLIRSA-N 2 0 238.375 1.631 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H]1CCC[NH2+]1 ZINC000414820793 386674793 /nfs/dbraw/zinc/67/47/93/386674793.db2.gz BEDISVKBNQSVFP-RDBSUJKOSA-N 2 0 239.407 1.639 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+]CC(C)(C)COC ZINC000414831147 386709848 /nfs/dbraw/zinc/70/98/48/386709848.db2.gz CBHIKPVDAVWUMK-SNVBAGLBSA-N 2 0 202.342 1.104 20 0 BDADRP CCCC[C@@H](COC)[NH2+]CC[C@H](C)[NH3+] ZINC000414825554 386690187 /nfs/dbraw/zinc/69/01/87/386690187.db2.gz TTWBIGLVDSYGJN-QWRGUYRKSA-N 2 0 202.342 1.519 20 0 BDADRP CC[N@@H+]1CC[C@H](NCC2([NH+](C)C)CC2)[C@@H](C)C1 ZINC000417382655 386691762 /nfs/dbraw/zinc/69/17/62/386691762.db2.gz OAXFWBBCONEAQH-STQMWFEESA-N 2 0 239.407 1.401 20 0 BDADRP COCCCC[N@@H+]1CCn2cncc2C1 ZINC000647938159 386693058 /nfs/dbraw/zinc/69/30/58/386693058.db2.gz QTDYGOMWXFSXJV-UHFFFAOYSA-N 2 0 209.293 1.125 20 0 BDADRP C(C[C@H]1CC[NH2+]C1)[NH2+]C[C@@H]1CCCOC1 ZINC000414827476 386693665 /nfs/dbraw/zinc/69/36/65/386693665.db2.gz HASSHCPUDJEQDH-NEPJUHHUSA-N 2 0 212.337 1.002 20 0 BDADRP CC[NH+]1CCC(NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000414829168 386700265 /nfs/dbraw/zinc/70/02/65/386700265.db2.gz KHZODHWAIBTEKN-HNNXBMFYSA-N 2 0 247.386 1.760 20 0 BDADRP CC[C@@H](C)[C@@H](C)[N@H+](CCOCC[NH3+])C1CC1 ZINC000357079858 386712220 /nfs/dbraw/zinc/71/22/20/386712220.db2.gz LPMCUGVRVLDIMR-VXGBXAGGSA-N 2 0 228.380 1.861 20 0 BDADRP CC[C@@H](COC)[NH2+][C@@H](CN)C1CCCCC1 ZINC000414830356 386704978 /nfs/dbraw/zinc/70/49/78/386704978.db2.gz AYFJCNCDVDTRLG-STQMWFEESA-N 2 0 228.380 1.909 20 0 BDADRP N[C@H](C[NH2+]CC[C@H]1CCOC1)c1ccccc1 ZINC000414830239 386705247 /nfs/dbraw/zinc/70/52/47/386705247.db2.gz LUZBYYWXIMMFEG-GXTWGEPZSA-N 2 0 234.343 1.703 20 0 BDADRP COCC(C)(C)C[NH2+]CC1([NH3+])CCCCC1 ZINC000414837374 386733602 /nfs/dbraw/zinc/73/36/02/386733602.db2.gz HATOXWZMMXKKAB-UHFFFAOYSA-N 2 0 228.380 1.910 20 0 BDADRP CC(C)C[C@H](CN)[NH2+]C1CCC(C[NH3+])CC1 ZINC000414832521 386718102 /nfs/dbraw/zinc/71/81/02/386718102.db2.gz DQXNFZZTTMFIHE-WXRRBKDZSA-N 2 0 227.396 1.467 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+]C[C@H]1CCSC1 ZINC000414835686 386728453 /nfs/dbraw/zinc/72/84/53/386728453.db2.gz HMNQCGQZAZGBBP-VHSXEESVSA-N 2 0 202.367 1.185 20 0 BDADRP Cc1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)nc1 ZINC000414839869 386746807 /nfs/dbraw/zinc/74/68/07/386746807.db2.gz WRXLUMTWQCNQBB-GFCCVEGCSA-N 2 0 219.332 1.479 20 0 BDADRP Clc1cnc(C[NH2+]CC[C@H]2CC[NH2+]C2)s1 ZINC000414840935 386750799 /nfs/dbraw/zinc/75/07/99/386750799.db2.gz XMCJFZRFUHGGOV-MRVPVSSYSA-N 2 0 245.779 1.886 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414843941 386765838 /nfs/dbraw/zinc/76/58/38/386765838.db2.gz DALWGSVMGQWHOF-AGIUHOORSA-N 3 0 225.380 1.106 20 0 BDADRP CC[NH+](CC)CC(=O)N1CCCC[C@H]1CC[NH3+] ZINC000357361931 386767420 /nfs/dbraw/zinc/76/74/20/386767420.db2.gz GBZKTEVCMWEIJW-LBPRGKRZSA-N 2 0 241.379 1.058 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCOC[C@H]1C ZINC000192131080 386742911 /nfs/dbraw/zinc/74/29/11/386742911.db2.gz AESSWNBOJIOKEP-CHWSQXEVSA-N 2 0 228.380 1.733 20 0 BDADRP C(C[C@@H]1CCOC1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414839251 386742942 /nfs/dbraw/zinc/74/29/42/386742942.db2.gz MBZVJUFUSRAOLL-QWHCGFSZSA-N 2 0 226.364 1.392 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCN[C@@H]2C)C1(C)C ZINC000396579435 386781435 /nfs/dbraw/zinc/78/14/35/386781435.db2.gz DQTDIMYAIISWIK-MROQNXINSA-N 2 0 240.391 1.920 20 0 BDADRP C[C@@H](C1CCC1)[N@H+](C)C[C@H](O)CN(C)C1CC1 ZINC000325330951 386783850 /nfs/dbraw/zinc/78/38/50/386783850.db2.gz HKBMGRUNLQQSAP-FZMZJTMJSA-N 2 0 240.391 1.562 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000336667498 386785176 /nfs/dbraw/zinc/78/51/76/386785176.db2.gz DTLZGFQOTKHWAR-UTUOFQBUSA-N 2 0 214.353 1.661 20 0 BDADRP C[C@H]1C[C@H]1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648071954 386785860 /nfs/dbraw/zinc/78/58/60/386785860.db2.gz CJGSOVHGEHHHSS-STQMWFEESA-N 2 0 238.375 1.439 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]21 ZINC000125356187 386798600 /nfs/dbraw/zinc/79/86/00/386798600.db2.gz YCCNZERKOYRNLI-HZSPNIEDSA-N 2 0 238.375 1.472 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CC[C@H](C)CC1 ZINC000300024420 386799125 /nfs/dbraw/zinc/79/91/25/386799125.db2.gz MKPHGQDSZIJBKB-JHJVBQTASA-N 2 0 228.380 1.909 20 0 BDADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](C)O)C1 ZINC000192988131 386806906 /nfs/dbraw/zinc/80/69/06/386806906.db2.gz VLABRDCFWMNYTM-VXGBXAGGSA-N 2 0 214.353 1.031 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414847427 386833878 /nfs/dbraw/zinc/83/38/78/386833878.db2.gz VUYNYIHHKAKXDC-OLZOCXBDSA-N 3 0 227.396 1.339 20 0 BDADRP c1ccc2c(c1)CC[C@H]([NH2+]C1CC[NH2+]CC1)C2 ZINC000051631061 386835233 /nfs/dbraw/zinc/83/52/33/386835233.db2.gz PJNFIJJDTKSKLA-HNNXBMFYSA-N 2 0 230.355 1.886 20 0 BDADRP C[N@@H+]1CCC[C@@]2(CC[NH+]([C@H]3CCCOC3)C2)C1 ZINC000645187919 386850157 /nfs/dbraw/zinc/85/01/57/386850157.db2.gz LDQXSMMQPIDCDJ-UONOGXRCSA-N 2 0 238.375 1.583 20 0 BDADRP C[C@@H](O)C[C@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000341289176 386864331 /nfs/dbraw/zinc/86/43/31/386864331.db2.gz URNSNESAUAEKJL-NWDGAFQWSA-N 2 0 242.407 1.998 20 0 BDADRP CS[C@@H]1CC[C@@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000425350367 386867862 /nfs/dbraw/zinc/86/78/62/386867862.db2.gz LKXSJPVZBOCESU-NWDGAFQWSA-N 2 0 228.405 1.956 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000414940711 386872786 /nfs/dbraw/zinc/87/27/86/386872786.db2.gz XTUGKZYQJVYWOX-RNJOBUHISA-N 2 0 225.380 1.105 20 0 BDADRP C[C@H]1C[NH+](CCC2CC[NH2+]CC2)C[C@H](C)N1 ZINC000335758838 386886962 /nfs/dbraw/zinc/88/69/62/386886962.db2.gz HNWDHYRSLKMZGZ-RYUDHWBXSA-N 2 0 225.380 1.058 20 0 BDADRP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@@H]1CCCOCC1 ZINC000334862260 386915856 /nfs/dbraw/zinc/91/58/56/386915856.db2.gz JQBCZZGPQATRII-CHWSQXEVSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC(C)(C)[NH3+] ZINC000331867361 386918797 /nfs/dbraw/zinc/91/87/97/386918797.db2.gz AZEKNRXMKCLAMZ-NEPJUHHUSA-N 2 0 227.396 1.624 20 0 BDADRP Cc1ccc2ncc(CN3CCC([NH3+])CC3)n2c1 ZINC000335760255 386896972 /nfs/dbraw/zinc/89/69/72/386896972.db2.gz KVJMWGUXXWZEKG-UHFFFAOYSA-N 2 0 244.342 1.566 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000358168295 386905116 /nfs/dbraw/zinc/90/51/16/386905116.db2.gz NETXQKLBQMYKKG-MELADBBJSA-N 2 0 242.407 1.857 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000358168297 386905174 /nfs/dbraw/zinc/90/51/74/386905174.db2.gz NETXQKLBQMYKKG-RDBSUJKOSA-N 2 0 242.407 1.857 20 0 BDADRP COc1cccc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000414943410 386905880 /nfs/dbraw/zinc/90/58/80/386905880.db2.gz FNTGPAICDCROJN-DGCLKSJQSA-N 2 0 234.343 1.925 20 0 BDADRP Nc1ccc2c(c1)CCC[C@H]2[NH2+]C1CC[NH2+]CC1 ZINC000334866054 386921516 /nfs/dbraw/zinc/92/15/16/386921516.db2.gz VVIIWMXTXSSXFW-OAHLLOKOSA-N 2 0 245.370 1.988 20 0 BDADRP C[NH+](C)[C@H]1CCC[N@H+](C[C@@H]2CCCCO2)CC1 ZINC000335774926 386924069 /nfs/dbraw/zinc/92/40/69/386924069.db2.gz YPDDULWIRHSRQU-KBPBESRZSA-N 2 0 240.391 1.972 20 0 BDADRP Cc1n[nH]cc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000334866729 386924651 /nfs/dbraw/zinc/92/46/51/386924651.db2.gz CFBNXJIRPGGVLR-GXTWGEPZSA-N 2 0 248.374 1.682 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000398616913 386924919 /nfs/dbraw/zinc/92/49/19/386924919.db2.gz SPHQPHVFBSXHKP-AGIUHOORSA-N 2 0 228.380 1.658 20 0 BDADRP Cc1ccc2ncc(CN(C)C3CC([NH3+])C3)n2c1 ZINC000334869620 386929423 /nfs/dbraw/zinc/92/94/23/386929423.db2.gz QHRKNHBWLXFANB-UHFFFAOYSA-N 2 0 244.342 1.564 20 0 BDADRP C[C@H](CCO)C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000331958993 386930047 /nfs/dbraw/zinc/93/00/47/386930047.db2.gz KBEXZNOSUMUVBE-GRYCIOLGSA-N 2 0 214.353 1.255 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C2Cc3ccccc3C2)CC[NH2+]1 ZINC000334871107 386931157 /nfs/dbraw/zinc/93/11/57/386931157.db2.gz XVUIFEPVDMYONK-RISCZKNCSA-N 2 0 230.355 1.884 20 0 BDADRP C[C@H]([NH2+]C1CCSCC1)[C@H]1CCC[NH2+]C1 ZINC000334875066 386936053 /nfs/dbraw/zinc/93/60/53/386936053.db2.gz RFHLISLQESGGFQ-QWRGUYRKSA-N 2 0 228.405 1.860 20 0 BDADRP CC1(C)CCCC[C@@H]1[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000334875863 386936943 /nfs/dbraw/zinc/93/69/43/386936943.db2.gz XVZHPKNTNSMLAG-OLZOCXBDSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]([NH2+]C1CCSCC1)[C@H]1CCC[NH2+]C1 ZINC000334875065 386937522 /nfs/dbraw/zinc/93/75/22/386937522.db2.gz RFHLISLQESGGFQ-MNOVXSKESA-N 2 0 228.405 1.860 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CCSCC1 ZINC000334875430 386937617 /nfs/dbraw/zinc/93/76/17/386937617.db2.gz KTFLLIOASXIMBS-UYVFGJEYSA-N 2 0 240.416 1.988 20 0 BDADRP C[NH+](C)CC[C@H](NCc1ncc[nH]1)C(C)(C)C ZINC000116378715 386943894 /nfs/dbraw/zinc/94/38/94/386943894.db2.gz RUKQWFYWHPJNLZ-NSHDSACASA-N 2 0 238.379 1.866 20 0 BDADRP CCC(O)(CC)C[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000352905683 386956807 /nfs/dbraw/zinc/95/68/07/386956807.db2.gz UPTYIANJNBBDJQ-DGCLKSJQSA-N 2 0 240.391 1.610 20 0 BDADRP CCSCC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000368319683 386959119 /nfs/dbraw/zinc/95/91/19/386959119.db2.gz YHRNPWBXDRYFPW-GFCCVEGCSA-N 2 0 228.405 1.767 20 0 BDADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000341871435 386980066 /nfs/dbraw/zinc/98/00/66/386980066.db2.gz FVFATLZXXZTDAN-AAVRWANBSA-N 2 0 240.391 1.874 20 0 BDADRP CC[C@@H](CO)[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000332046948 386948423 /nfs/dbraw/zinc/94/84/23/386948423.db2.gz VGJBCXHOFFGEHJ-GARJFASQSA-N 2 0 200.326 1.007 20 0 BDADRP C[C@H]1c2ccccc2CC[N@H+]1CCC[NH3+] ZINC000334820980 386949374 /nfs/dbraw/zinc/94/93/74/386949374.db2.gz VQFDDTQFTZETHU-NSHDSACASA-N 2 0 204.317 1.955 20 0 BDADRP Cc1nc(CN2CCC[C@@H]([C@@H](C)[NH3+])C2)oc1C ZINC000070174418 387045821 /nfs/dbraw/zinc/04/58/21/387045821.db2.gz ICINCCHESIUFDG-BXKDBHETSA-N 2 0 237.347 1.851 20 0 BDADRP CC[NH+](CC)CCCNC(=O)C[N@H+](C)C(C)C ZINC000358811686 387017811 /nfs/dbraw/zinc/01/78/11/387017811.db2.gz HFQYYYTWJPVMTQ-UHFFFAOYSA-N 2 0 243.395 1.175 20 0 BDADRP CCC[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000334979898 387065932 /nfs/dbraw/zinc/06/59/32/387065932.db2.gz KBDAIWWUZAUQRB-NSHDSACASA-N 2 0 212.337 1.084 20 0 BDADRP [NH3+]C[C@@H](N[C@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000333186520 387021022 /nfs/dbraw/zinc/02/10/22/387021022.db2.gz TUAVASWSYYGYMS-UONOGXRCSA-N 3 0 239.407 1.626 20 0 BDADRP CC(C)(O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000334979350 387065984 /nfs/dbraw/zinc/06/59/84/387065984.db2.gz DQQNIHVLLITVNW-RYUDHWBXSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)[C@H]1CCCC[NH2+]1 ZINC000333883492 387068780 /nfs/dbraw/zinc/06/87/80/387068780.db2.gz WRMJQEVCFCZWLT-UMSGYPCISA-N 3 0 225.380 1.234 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000423298698 387130660 /nfs/dbraw/zinc/13/06/60/387130660.db2.gz ASTXXURFQRTMJO-RYUDHWBXSA-N 2 0 235.375 1.998 20 0 BDADRP C[N@H+](CCN[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000070945368 387084871 /nfs/dbraw/zinc/08/48/71/387084871.db2.gz BHTGYYVBGUBDIO-GFCCVEGCSA-N 2 0 225.380 1.202 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2COC(C)(C)C2)C1 ZINC000418088554 387096583 /nfs/dbraw/zinc/09/65/83/387096583.db2.gz KKLMSMORRRGMAZ-CHWSQXEVSA-N 2 0 240.391 1.875 20 0 BDADRP CC(=O)CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000639498294 387099506 /nfs/dbraw/zinc/09/95/06/387099506.db2.gz YKZKQBOHFBXYDJ-ZDUSSCGKSA-N 2 0 224.348 1.526 20 0 BDADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC1CC[NH2+]CC1 ZINC000335009775 387104308 /nfs/dbraw/zinc/10/43/08/387104308.db2.gz IIIBIYLMECTBLV-ZDUSSCGKSA-N 2 0 239.407 1.448 20 0 BDADRP CCSCC[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000336766450 387110612 /nfs/dbraw/zinc/11/06/12/387110612.db2.gz ROKNXGFMBHZGBO-CMPLNLGQSA-N 2 0 228.405 1.812 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCc2ccccc21)C1C[NH2+]C1 ZINC000335026307 387118646 /nfs/dbraw/zinc/11/86/46/387118646.db2.gz YLYMZVKZAUEQOQ-YGRLFVJLSA-N 2 0 216.328 1.871 20 0 BDADRP C([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)[C@@H]1CCCO1 ZINC000250680897 387120110 /nfs/dbraw/zinc/12/01/10/387120110.db2.gz YIWPBXNRFNDZNT-REWJHTLYSA-N 2 0 238.375 1.676 20 0 BDADRP CC[NH+]1CCC([NH2+]CCC[C@H]2CCOC2)CC1 ZINC000400566073 387121385 /nfs/dbraw/zinc/12/13/85/387121385.db2.gz AYXXRGIYZQTPDO-ZDUSSCGKSA-N 2 0 240.391 1.877 20 0 BDADRP CCCC[C@@H](CN)[NH2+][C@H](C)CCCC[NH3+] ZINC000423298559 387129004 /nfs/dbraw/zinc/12/90/04/387129004.db2.gz ONTXMEUURLBYGR-NEPJUHHUSA-N 2 0 215.385 1.611 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423299728 387129825 /nfs/dbraw/zinc/12/98/25/387129825.db2.gz QNUKOQQPPMUKEG-UPJWGTAASA-N 2 0 227.396 1.624 20 0 BDADRP CCC[NH2+]CC[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000423307569 387143905 /nfs/dbraw/zinc/14/39/05/387143905.db2.gz HDDAYOFFVRJHJN-VXGBXAGGSA-N 2 0 214.353 1.391 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)C[NH3+])C12CCCC2 ZINC000423310286 387146468 /nfs/dbraw/zinc/14/64/68/387146468.db2.gz RRVOFUKMQGVRFX-FRRDWIJNSA-N 2 0 240.391 1.909 20 0 BDADRP C([NH2+][C@H]1CCCC[C@H]1C1CC1)C1C[NH2+]C1 ZINC000423309116 387147144 /nfs/dbraw/zinc/14/71/44/387147144.db2.gz YZRAEVNYVOUWBO-STQMWFEESA-N 2 0 208.349 1.764 20 0 BDADRP CCC[NH2+]CCN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423310465 387147320 /nfs/dbraw/zinc/14/73/20/387147320.db2.gz NJULZFJDEUVMRC-VXGBXAGGSA-N 2 0 213.369 1.093 20 0 BDADRP CCC[NH2+]CCN[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000423312174 387148880 /nfs/dbraw/zinc/14/88/80/387148880.db2.gz RKDYXFSBQPJKTA-NWDGAFQWSA-N 2 0 225.380 1.201 20 0 BDADRP CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@H]([NH3+])C2CC2)C1(C)C ZINC000423313319 387152547 /nfs/dbraw/zinc/15/25/47/387152547.db2.gz FLZCVFVXQQKQTM-YNEHKIRRSA-N 2 0 240.391 1.905 20 0 BDADRP Cc1ccncc1[C@@H](C)[NH2+]C[C@H](C)C[NH3+] ZINC000423315243 387153727 /nfs/dbraw/zinc/15/37/27/387153727.db2.gz ZIINERSGNHFCLY-MWLCHTKSSA-N 2 0 207.321 1.635 20 0 BDADRP [NH3+]CCCC[NH2+][C@H]1CCC[C@@H]1CCF ZINC000423315397 387154997 /nfs/dbraw/zinc/15/49/97/387154997.db2.gz AQVPSVVXHZSLET-MNOVXSKESA-N 2 0 202.317 1.843 20 0 BDADRP C[C@H](C[NH3+])N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423318819 387160180 /nfs/dbraw/zinc/16/01/80/387160180.db2.gz DVBWSCHKIBVOKH-FXAINCCUSA-N 2 0 205.305 1.068 20 0 BDADRP CC[N@H+]1C[C@H](NC[C@]2(C)CCC[NH2+]C2)[C@@H](C)C1 ZINC000423320055 387160994 /nfs/dbraw/zinc/16/09/94/387160994.db2.gz FAGOLIYDXYXDOG-MELADBBJSA-N 2 0 239.407 1.306 20 0 BDADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)[C@H]1CCCO1 ZINC000423321488 387166083 /nfs/dbraw/zinc/16/60/83/387166083.db2.gz GELAOQLSDBMPAU-NWDGAFQWSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@@]1(C)CCC[NH2+]C1 ZINC000423328231 387170052 /nfs/dbraw/zinc/17/00/52/387170052.db2.gz LWIRIVHSQZSCNR-RDBSUJKOSA-N 2 0 239.407 1.306 20 0 BDADRP CC[C@H]([NH2+]CCCC[NH3+])[C@@H]1CCCC[NH2+]1 ZINC000423330012 387173558 /nfs/dbraw/zinc/17/35/58/387173558.db2.gz PJPXOCRSQJRROR-RYUDHWBXSA-N 3 0 213.369 1.236 20 0 BDADRP CC1(C)[C@H]([NH2+]C[C@H]([NH3+])C2CC2)[C@H]2CCCO[C@H]21 ZINC000423331059 387174805 /nfs/dbraw/zinc/17/48/05/387174805.db2.gz UOOCEGVEIDCCMD-YVECIDJPSA-N 2 0 238.375 1.517 20 0 BDADRP C[C@@H]([NH2+]CC1([NH3+])CCC1)C1CCSCC1 ZINC000423335933 387182727 /nfs/dbraw/zinc/18/27/27/387182727.db2.gz UKGWUBNENASTJK-SNVBAGLBSA-N 2 0 228.405 1.989 20 0 BDADRP [NH3+]CCCC[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000423335909 387183537 /nfs/dbraw/zinc/18/35/37/387183537.db2.gz UJKLATOHPVQMCA-HZSPNIEDSA-N 2 0 240.391 1.910 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2(C)CC[NH2+]CC2)[C@@H](C)O1 ZINC000423335771 387184147 /nfs/dbraw/zinc/18/41/47/387184147.db2.gz RYSTYFOXFRLAKA-UTUOFQBUSA-N 2 0 226.364 1.532 20 0 BDADRP CC[C@H]([NH2+]CC1(C)CC[NH2+]CC1)[C@H]1CCOC1 ZINC000423335423 387184171 /nfs/dbraw/zinc/18/41/71/387184171.db2.gz RWJCTOPKCCMLLF-STQMWFEESA-N 2 0 240.391 1.781 20 0 BDADRP CC[C@@H]([NH2+]CCCC[NH3+])c1ccncc1 ZINC000423339024 387187782 /nfs/dbraw/zinc/18/77/82/387187782.db2.gz WGSDPRIUZNELQP-GFCCVEGCSA-N 2 0 207.321 1.861 20 0 BDADRP CCn1nc(C)c(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c1C ZINC000572474110 387188425 /nfs/dbraw/zinc/18/84/25/387188425.db2.gz OYPGSSWCRXIQKD-UWVGGRQHSA-N 2 0 238.379 1.735 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]CC2=CC[NH2+]CC2)C1(C)C ZINC000423341236 387189585 /nfs/dbraw/zinc/18/95/85/387189585.db2.gz KDJFGPFITWYYRF-QWHCGFSZSA-N 2 0 238.375 1.699 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@H]1CC[N@H+](C)C[C@H]1C ZINC000423300534 387133208 /nfs/dbraw/zinc/13/32/08/387133208.db2.gz RSKUFBNKNKGQEG-UPJWGTAASA-N 2 0 227.396 1.434 20 0 BDADRP C[C@H](C[NH3+])CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423302031 387135250 /nfs/dbraw/zinc/13/52/50/387135250.db2.gz GQHDCXNIPFKKDR-WQAKAFBOSA-N 2 0 219.332 1.316 20 0 BDADRP CC(C)n1cc([C@@H](C)[NH2+]C[C@H](C)C[NH3+])cn1 ZINC000423303364 387136301 /nfs/dbraw/zinc/13/63/01/387136301.db2.gz WYFCKDRUAPBXLE-GHMZBOCLSA-N 2 0 224.352 1.709 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+]CC2C[NH2+]C2)C12CCC2 ZINC000423303618 387136503 /nfs/dbraw/zinc/13/65/03/387136503.db2.gz MCIIPDGOEIUZDO-RYUDHWBXSA-N 2 0 224.348 1.143 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@H](C)c1cccc(CO)c1 ZINC000423303147 387136586 /nfs/dbraw/zinc/13/65/86/387136586.db2.gz WORDDWMJNZKOHN-GHMZBOCLSA-N 2 0 222.332 1.424 20 0 BDADRP C[C@H](Cc1ccoc1)[NH2+]CC1=CC[NH2+]CC1 ZINC000423355515 387207105 /nfs/dbraw/zinc/20/71/05/387207105.db2.gz PDPDGJXKMAIXDV-LLVKDONJSA-N 2 0 220.316 1.720 20 0 BDADRP Cc1ccnc([C@H](C)[NH2+]CC2=CC[NH2+]CC2)c1 ZINC000423355800 387208746 /nfs/dbraw/zinc/20/87/46/387208746.db2.gz PMQKPGRCBRNZRM-LBPRGKRZSA-N 2 0 231.343 1.960 20 0 BDADRP CO[C@@H](C)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000336379560 387209670 /nfs/dbraw/zinc/20/96/70/387209670.db2.gz ULASZLQHLOSEJB-QWHCGFSZSA-N 2 0 226.364 1.439 20 0 BDADRP CCOC[C@H]1CCC[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423361120 387212870 /nfs/dbraw/zinc/21/28/70/387212870.db2.gz LXWDRBGYYOLSAM-MCIONIFRSA-N 2 0 240.391 1.923 20 0 BDADRP COCC1CCC([NH2+]CC[C@H]2CCC[NH2+]2)CC1 ZINC000423364422 387215025 /nfs/dbraw/zinc/21/50/25/387215025.db2.gz VXLYZCYPHZMZAU-ROKHWSDSSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423366718 387217280 /nfs/dbraw/zinc/21/72/80/387217280.db2.gz QIBWBPVFYUMHEF-OUCADQQQSA-N 2 0 237.391 1.201 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423366570 387218998 /nfs/dbraw/zinc/21/89/98/387218998.db2.gz XXPFRIXUJOQQSV-UPJWGTAASA-N 2 0 225.380 1.106 20 0 BDADRP COC[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)C(C)C ZINC000423366261 387219194 /nfs/dbraw/zinc/21/91/94/387219194.db2.gz QBXNNNMPSMITFE-VXGBXAGGSA-N 2 0 214.353 1.389 20 0 BDADRP C[C@H]([NH3+])C(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000353556972 387227910 /nfs/dbraw/zinc/22/79/10/387227910.db2.gz AMVYSXYHCHOBOO-NSHDSACASA-N 2 0 241.379 1.057 20 0 BDADRP C[C@]1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[NH2+]C1 ZINC000423325934 387229065 /nfs/dbraw/zinc/22/90/65/387229065.db2.gz CGJHGRZPALVUCC-PIGZVRMJSA-N 2 0 237.391 1.249 20 0 BDADRP C[C@@H](C[NH3+])N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423398918 387233675 /nfs/dbraw/zinc/23/36/75/387233675.db2.gz PEZLAROCORIAFY-WUHRBBMRSA-N 2 0 225.380 1.234 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423401347 387237377 /nfs/dbraw/zinc/23/73/77/387237377.db2.gz VZBKKRHULVVCCL-CZXHOFHRSA-N 2 0 237.391 1.329 20 0 BDADRP COC[C@]1(C[NH2+][C@@H]2C[C@@H](C)[C@H]2C)CCC[NH2+]1 ZINC000423411305 387245924 /nfs/dbraw/zinc/24/59/24/387245924.db2.gz FJCFKJZLMOESON-FDYHWXHSSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1cnccn1 ZINC000423416644 387249016 /nfs/dbraw/zinc/24/90/16/387249016.db2.gz DCNRXFVKTFAJFV-AVGNSLFASA-N 2 0 248.374 1.892 20 0 BDADRP COC(C)(C)[C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000301036934 387252009 /nfs/dbraw/zinc/25/20/09/387252009.db2.gz XLFORZQGCMZMQU-LLVKDONJSA-N 2 0 230.396 1.977 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423461828 387310456 /nfs/dbraw/zinc/31/04/56/387310456.db2.gz TWTHMFNFURVEFS-HONMWMINSA-N 3 0 233.359 1.848 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000423466291 387315632 /nfs/dbraw/zinc/31/56/32/387315632.db2.gz NIKRTBWCKBOCSP-XDQVBPFNSA-N 2 0 240.391 1.909 20 0 BDADRP CC[C@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)C(C)C ZINC000423428389 387254332 /nfs/dbraw/zinc/25/43/32/387254332.db2.gz ONWVXPVXISZBMT-STQMWFEESA-N 2 0 228.380 1.779 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000423374354 387254507 /nfs/dbraw/zinc/25/45/07/387254507.db2.gz IHTONSIYTFQQKK-ZDCRXTMVSA-N 2 0 200.326 1.269 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@@H]1[NH2+]CCCC1(C)C ZINC000423375676 387257542 /nfs/dbraw/zinc/25/75/42/387257542.db2.gz DBPWQWLJHKDTAQ-AGIUHOORSA-N 2 0 239.407 1.304 20 0 BDADRP CC[NH2+][C@H](C)CNC1CC[NH+](C2CC2)CC1 ZINC000423383011 387266013 /nfs/dbraw/zinc/26/60/13/387266013.db2.gz JBLIDHRQUKCFPK-LLVKDONJSA-N 2 0 225.380 1.201 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000423384095 387269197 /nfs/dbraw/zinc/26/91/97/387269197.db2.gz PXDQNEMRPWLHCE-GRYCIOLGSA-N 2 0 214.353 1.389 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H]1CCC12CCC2 ZINC000423386527 387269961 /nfs/dbraw/zinc/26/99/61/387269961.db2.gz HGQBVNMJPYGHEF-UTUOFQBUSA-N 2 0 208.349 1.907 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423391668 387276948 /nfs/dbraw/zinc/27/69/48/387276948.db2.gz PNLWZWWIJXGCGS-WDEREUQCSA-N 2 0 234.343 1.803 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000360430818 387282479 /nfs/dbraw/zinc/28/24/79/387282479.db2.gz YMRRRQJTWVKSAK-VXGBXAGGSA-N 2 0 240.391 1.874 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCC(C)(C)O)C1 ZINC000360436838 387283950 /nfs/dbraw/zinc/28/39/50/387283950.db2.gz KFGHZGLNQROJIR-LBPRGKRZSA-N 2 0 228.380 1.421 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000423431500 387284911 /nfs/dbraw/zinc/28/49/11/387284911.db2.gz LPSLLVQNPSAYGV-RFQIPJPRSA-N 3 0 241.423 1.822 20 0 BDADRP CO[C@@H](C)[C@H](C)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423448628 387296767 /nfs/dbraw/zinc/29/67/67/387296767.db2.gz VGCFYQRMFCEONO-XRRVDJEJSA-N 2 0 226.364 1.388 20 0 BDADRP COC[C@]1(C[NH2+][C@@H](C)C2CC2)CCC[NH2+]1 ZINC000423447552 387298185 /nfs/dbraw/zinc/29/81/85/387298185.db2.gz ZWNODUMLMCYHAG-CMPLNLGQSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])[C@@H]1CCCC[NH2+]1 ZINC000423450052 387299932 /nfs/dbraw/zinc/29/99/32/387299932.db2.gz HCIYYMJDEQVWHE-TUAOUCFPSA-N 2 0 213.369 1.234 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H](C)C1CCSCC1 ZINC000423457447 387306373 /nfs/dbraw/zinc/30/63/73/387306373.db2.gz FRVNQBCVYRSCCW-ONGXEEELSA-N 2 0 216.394 1.845 20 0 BDADRP Cc1cc(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)on1 ZINC000353997170 387308425 /nfs/dbraw/zinc/30/84/25/387308425.db2.gz QMPAYROBLSJJCW-RYUDHWBXSA-N 2 0 237.347 1.598 20 0 BDADRP CC[N@@H+]1C[C@H](C)[C@H](NCCC[NH2+]C2CC2)C1 ZINC000423523333 387356844 /nfs/dbraw/zinc/35/68/44/387356844.db2.gz IFZIYQWFGMNSIW-WCQYABFASA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H]1C[C@@H](N[C@@H](C[NH3+])C2CCCC2)CC[N@@H+]1C ZINC000423532937 387357844 /nfs/dbraw/zinc/35/78/44/387357844.db2.gz SDNCKAHMPLRZGQ-XBFCOCLRSA-N 2 0 239.407 1.576 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423536027 387362178 /nfs/dbraw/zinc/36/21/78/387362178.db2.gz GGMCDTYIFYQZIE-WDEREUQCSA-N 2 0 212.337 1.309 20 0 BDADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)[C@H]1CCCO1 ZINC000423481806 387363860 /nfs/dbraw/zinc/36/38/60/387363860.db2.gz OODZXTZMVVBCBL-RWMBFGLXSA-N 2 0 226.364 1.676 20 0 BDADRP COCC1CCC([NH2+]CCC[NH2+]C2CC2)CC1 ZINC000423541929 387365289 /nfs/dbraw/zinc/36/52/89/387365289.db2.gz AICPCTIXRVDSHQ-UHFFFAOYSA-N 2 0 240.391 1.923 20 0 BDADRP COCCC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423540039 387366136 /nfs/dbraw/zinc/36/61/36/387366136.db2.gz JHRFTUREYKOJFS-XDQVBPFNSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)[C@@H]1CCC[NH2+]1 ZINC000423540193 387366257 /nfs/dbraw/zinc/36/62/57/387366257.db2.gz DANGXGYTRMELAL-RYSNWHEDSA-N 3 0 239.407 1.589 20 0 BDADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@H]2CCCC[NH2+]C2)C1 ZINC000423542908 387367949 /nfs/dbraw/zinc/36/79/49/387367949.db2.gz BKUZAMIDBJSDFE-RWMBFGLXSA-N 2 0 225.380 1.058 20 0 BDADRP C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCC[NH2+]1 ZINC000643503001 387369822 /nfs/dbraw/zinc/36/98/22/387369822.db2.gz XZWSRXZRPRLCTI-DAAZQVBGSA-N 2 0 223.364 1.001 20 0 BDADRP CC[C@H]([NH2+]CCC1=CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000423546085 387369954 /nfs/dbraw/zinc/36/99/54/387369954.db2.gz YNYUIEOMOZBFDN-KBPBESRZSA-N 3 0 237.391 1.416 20 0 BDADRP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)[C@H]1CCCOC1 ZINC000423545898 387371015 /nfs/dbraw/zinc/37/10/15/387371015.db2.gz FBDJXRCPCQDNRX-AVGNSLFASA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000423545693 387371205 /nfs/dbraw/zinc/37/12/05/387371205.db2.gz JWOHOCNZLLZDIM-VJTDZRGJSA-N 3 0 237.391 1.105 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423551084 387372485 /nfs/dbraw/zinc/37/24/85/387372485.db2.gz OLXCRVSIISWPMR-YIYPIFLZSA-N 3 0 239.407 1.482 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCC[NH2+]C1CC1 ZINC000423561834 387377194 /nfs/dbraw/zinc/37/71/94/387377194.db2.gz QFHFMLCOHIZJON-LLVKDONJSA-N 3 0 213.369 1.236 20 0 BDADRP CC(C)([NH3+])CN1CCC[C@H](c2ncc[nH]2)C1 ZINC000336495838 387320249 /nfs/dbraw/zinc/32/02/49/387320249.db2.gz NFNCISDGFNFPTD-JTQLQIEISA-N 2 0 222.336 1.326 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC000423476298 387321527 /nfs/dbraw/zinc/32/15/27/387321527.db2.gz RCLJORYUTZVLTG-CRWXNKLISA-N 3 0 239.407 1.624 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1cncc(F)c1 ZINC000423488825 387334656 /nfs/dbraw/zinc/33/46/56/387334656.db2.gz FAVVODIXZPYANT-OUJBWJOFSA-N 2 0 237.322 1.999 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)[C@H]1CC1(C)C ZINC000423492294 387336275 /nfs/dbraw/zinc/33/62/75/387336275.db2.gz MLQUQTGTXNOMOC-SDDRHHMPSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cnn(C)c1 ZINC000423491017 387336698 /nfs/dbraw/zinc/33/66/98/387336698.db2.gz YPFNBQFYOKNKIR-AAEUAGOBSA-N 2 0 236.363 1.603 20 0 BDADRP C([NH2+][C@@H](C1CC1)C1CCC1)[C@@H]1C[NH2+]CCCO1 ZINC000423492816 387336818 /nfs/dbraw/zinc/33/68/18/387336818.db2.gz OSOJHMQLTSWSAF-UONOGXRCSA-N 2 0 238.375 1.533 20 0 BDADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000423495398 387339070 /nfs/dbraw/zinc/33/90/70/387339070.db2.gz FBQSFUPUOPQZPF-NDBYEHHHSA-N 3 0 225.380 1.221 20 0 BDADRP CCc1ccccc1[C@H]([NH3+])CN[C@@H]1CCC[C@H]1[NH3+] ZINC000423499722 387340906 /nfs/dbraw/zinc/34/09/06/387340906.db2.gz JLHZHZOOFUOTKC-RBSFLKMASA-N 2 0 247.386 1.718 20 0 BDADRP CC[C@H](O)C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000572356850 387343787 /nfs/dbraw/zinc/34/37/87/387343787.db2.gz YINHOGFKYRJXNZ-NEPJUHHUSA-N 2 0 214.353 1.079 20 0 BDADRP CC(C)[C@@](C)(C[NH3+])[NH2+]CCOCC(F)(F)F ZINC000303392458 387348168 /nfs/dbraw/zinc/34/81/68/387348168.db2.gz ZWOHNBUTJMQEFT-SECBINFHSA-N 2 0 242.285 1.528 20 0 BDADRP C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)[C@H]1CCOC1 ZINC000400645134 387352273 /nfs/dbraw/zinc/35/22/73/387352273.db2.gz UIBKSPQRAJANGF-YNEHKIRRSA-N 2 0 224.348 1.097 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)C1(C)CC1 ZINC000423521515 387352590 /nfs/dbraw/zinc/35/25/90/387352590.db2.gz QXEBFBVRBPCGOG-WDEREUQCSA-N 2 0 212.337 1.143 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000423839161 387434886 /nfs/dbraw/zinc/43/48/86/387434886.db2.gz CMAKNXRAXWBNFV-LBPRGKRZSA-N 2 0 241.379 1.057 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CCO1 ZINC000515870078 387439475 /nfs/dbraw/zinc/43/94/75/387439475.db2.gz RBSNISWNQOXALV-FDYHWXHSSA-N 2 0 226.364 1.804 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000084222674 387441653 /nfs/dbraw/zinc/44/16/53/387441653.db2.gz VRLUZAMIMVJPDT-YVECIDJPSA-N 2 0 226.364 1.255 20 0 BDADRP C([NH2+][C@H]1CCC12CCOCC2)[C@H]1CCC[NH2+]1 ZINC000643505786 387454926 /nfs/dbraw/zinc/45/49/26/387454926.db2.gz PAWXKVOONQLSFH-NEPJUHHUSA-N 2 0 224.348 1.287 20 0 BDADRP C[C@H]([NH2+]CC(C)(C)[C@H]1CCCCO1)C1C[NH2+]C1 ZINC000643466609 387388656 /nfs/dbraw/zinc/38/86/56/387388656.db2.gz HGJVITDEWVOAGB-WCQYABFASA-N 2 0 240.391 1.779 20 0 BDADRP Cc1n[nH]cc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000643503361 387391417 /nfs/dbraw/zinc/39/14/17/387391417.db2.gz GKZGELOIQDWLNV-NHCYSSNCSA-N 2 0 236.363 1.757 20 0 BDADRP CC(C)c1cc(CN[C@@H]2CCC[C@H]2[NH3+])on1 ZINC000643455274 387391991 /nfs/dbraw/zinc/39/19/91/387391991.db2.gz SUBNMGRFUWKVMJ-GHMZBOCLSA-N 2 0 223.320 1.767 20 0 BDADRP CCC[NH+]1CCC(NCC[NH2+]C2CC2)CC1 ZINC000643506383 387460124 /nfs/dbraw/zinc/46/01/24/387460124.db2.gz UPKPRYKJQKZJAS-UHFFFAOYSA-N 2 0 225.380 1.202 20 0 BDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000423770402 387421224 /nfs/dbraw/zinc/42/12/24/387421224.db2.gz HKDIGEMHYABWTE-SRVKXCTJSA-N 2 0 243.395 1.206 20 0 BDADRP CC[N@H+](CC[C@@H]1CCC[NH+]1C)C[C@H](C)OC ZINC000361572278 387498878 /nfs/dbraw/zinc/49/88/78/387498878.db2.gz CQFMPVWHRJDCCV-STQMWFEESA-N 2 0 228.380 1.828 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1COC(C)(C)C1 ZINC000396819762 387500337 /nfs/dbraw/zinc/50/03/37/387500337.db2.gz JGZOUDRWVDAXKR-QWRGUYRKSA-N 2 0 214.353 1.484 20 0 BDADRP CCN1CCC[C@H]1C[NH2+][C@@H]1COC(C)(C)C1 ZINC000396851060 387504076 /nfs/dbraw/zinc/50/40/76/387504076.db2.gz LJLOXGCFZNYJPR-RYUDHWBXSA-N 2 0 226.364 1.628 20 0 BDADRP C[C@H](C[NH2+][C@@H]1COC(C)(C)C1)C[NH+]1CCCC1 ZINC000396870044 387504675 /nfs/dbraw/zinc/50/46/75/387504675.db2.gz XBYLSKAMJLQAAK-OLZOCXBDSA-N 2 0 240.391 1.875 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000643475480 387509387 /nfs/dbraw/zinc/50/93/87/387509387.db2.gz YDIFFDUMNJPNOT-JHJVBQTASA-N 2 0 226.364 1.676 20 0 BDADRP CC[NH+](CC)CCN1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000375215796 387517505 /nfs/dbraw/zinc/51/75/05/387517505.db2.gz PQNXBDVMSVAEAF-UONOGXRCSA-N 2 0 239.407 1.354 20 0 BDADRP C[C@H](CN[C@@H](C)c1ccncn1)C[NH+]1CCCC1 ZINC000395960185 387517878 /nfs/dbraw/zinc/51/78/78/387517878.db2.gz FQSSBEGHIAWXFV-OLZOCXBDSA-N 2 0 248.374 1.859 20 0 BDADRP C[C@@H](C[NH+]1CCC(O)(C[NH3+])CC1)c1ccccc1 ZINC000397052405 387532938 /nfs/dbraw/zinc/53/29/38/387532938.db2.gz YUEXDFYUGJXGQW-ZDUSSCGKSA-N 2 0 248.370 1.576 20 0 BDADRP C[C@@H](O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000192774029 387532912 /nfs/dbraw/zinc/53/29/12/387532912.db2.gz MORYOZSYDSUSJF-GFCCVEGCSA-N 2 0 228.380 1.421 20 0 BDADRP C[C@@H](O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000192796178 387536044 /nfs/dbraw/zinc/53/60/44/387536044.db2.gz BIOQTTJBFYCJEW-JHJVBQTASA-N 2 0 240.391 1.610 20 0 BDADRP CC(C)CCC[NH+]1CCC(O)(C[NH3+])CC1 ZINC000397082844 387537224 /nfs/dbraw/zinc/53/72/24/387537224.db2.gz GSBDENBKMHNRGE-UHFFFAOYSA-N 2 0 214.353 1.208 20 0 BDADRP C[C@H](CC[NH2+]CC1(C)COC1)[NH+]1CCCCC1 ZINC000352737590 387464743 /nfs/dbraw/zinc/46/47/43/387464743.db2.gz QNUNXHOVFKTXDY-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC[C@@H](CO)CC1)[C@H]1CCC[NH2+]1 ZINC000643471004 387477184 /nfs/dbraw/zinc/47/71/84/387477184.db2.gz JCMPIHOPPVFZLQ-FVCCEPFGSA-N 2 0 226.364 1.268 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000643471000 387477578 /nfs/dbraw/zinc/47/75/78/387477578.db2.gz GXMKXSXESSLCGA-RVMXOQNASA-N 2 0 226.364 1.255 20 0 BDADRP C(C[NH2+]C1CC1)N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000643508263 387481358 /nfs/dbraw/zinc/48/13/58/387481358.db2.gz YXMNNTCNASUPQC-MJBXVCDLSA-N 2 0 237.391 1.249 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000527532200 387597744 /nfs/dbraw/zinc/59/77/44/387597744.db2.gz JXHJIHMCTAKEMS-WOPDTQHZSA-N 2 0 223.364 1.131 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCCc2cccnc21 ZINC000643514864 387600232 /nfs/dbraw/zinc/60/02/32/387600232.db2.gz WAEWTYIJKJCMPG-ZYHUDNBSSA-N 2 0 219.332 1.643 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422700848 387614857 /nfs/dbraw/zinc/61/48/57/387614857.db2.gz AVRCYIRVIWNOPP-QNMSZWNNSA-N 2 0 240.391 1.656 20 0 BDADRP C[N@H+](CCN[C@@H]1CCC[C@H]1[NH3+])C1CCCCC1 ZINC000422703599 387618539 /nfs/dbraw/zinc/61/85/39/387618539.db2.gz NMTQEOQSFSHOFE-ZIAGYGMSSA-N 2 0 239.407 1.720 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H](O)C1CCCCC1 ZINC000422705769 387621426 /nfs/dbraw/zinc/62/14/26/387621426.db2.gz SDQXETTWEBVJGN-LOWVWBTDSA-N 2 0 228.380 1.643 20 0 BDADRP Cc1ccsc1C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422709704 387622513 /nfs/dbraw/zinc/62/25/13/387622513.db2.gz ZRUSTTAEWANMCE-VIFPVBQESA-N 2 0 210.346 1.754 20 0 BDADRP CC[C@@H](C(=O)NCC(C)(C)C[NH+](C)C)[NH+](C)C ZINC000124582198 387624265 /nfs/dbraw/zinc/62/42/65/387624265.db2.gz RUHVPSMPICERKW-NSHDSACASA-N 2 0 243.395 1.031 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)NC1CC[NH+](CC2CC2)CC1 ZINC000422712531 387626812 /nfs/dbraw/zinc/62/68/12/387626812.db2.gz GUWJDJADSQPWPV-NEPJUHHUSA-N 2 0 239.407 1.576 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000168553832 387571674 /nfs/dbraw/zinc/57/16/74/387571674.db2.gz RKIAOQOSBHUMED-SRVKXCTJSA-N 2 0 212.337 1.225 20 0 BDADRP C[C@@](C[NH3+])([NH2+]CCOCC(F)(F)F)C1CC1 ZINC000430579637 387629854 /nfs/dbraw/zinc/62/98/54/387629854.db2.gz QZTGZMQJOHVDLG-VIFPVBQESA-N 2 0 240.269 1.282 20 0 BDADRP CCCC[N@H+](C)CCN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000422719458 387632599 /nfs/dbraw/zinc/63/25/99/387632599.db2.gz YEIBNUNKEXZUFT-QWHCGFSZSA-N 2 0 227.396 1.306 20 0 BDADRP CCOCCCC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422723765 387633590 /nfs/dbraw/zinc/63/35/90/387633590.db2.gz SIYTTXGMMMEFGS-OLZOCXBDSA-N 2 0 228.380 1.781 20 0 BDADRP COc1ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000422726951 387635012 /nfs/dbraw/zinc/63/50/12/387635012.db2.gz AXQIUFUKAHQJOX-QWRGUYRKSA-N 2 0 222.332 1.911 20 0 BDADRP CC[C@@H]1CCCC[N@@H+]1CCN[C@@H]1CCC[C@H]1[NH3+] ZINC000422725474 387635755 /nfs/dbraw/zinc/63/57/55/387635755.db2.gz BMGOUNKUYOTKHU-MGPQQGTHSA-N 2 0 239.407 1.720 20 0 BDADRP CC[C@H]1CCCCN1CC[NH2+][C@H](C)CCC[NH3+] ZINC000422727587 387636678 /nfs/dbraw/zinc/63/66/78/387636678.db2.gz HNAFLEQPNKEFQT-KGLIPLIRSA-N 2 0 241.423 1.968 20 0 BDADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000422734078 387640294 /nfs/dbraw/zinc/64/02/94/387640294.db2.gz CGCMSJMMYMUREW-OLZOCXBDSA-N 3 0 241.423 1.824 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NC[C@@H](C)[N@H+](C)C1CC1 ZINC000422735976 387642774 /nfs/dbraw/zinc/64/27/74/387642774.db2.gz FRONCIKYHXQGFU-HBNTYKKESA-N 2 0 213.369 1.185 20 0 BDADRP CCOCCC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422734692 387643736 /nfs/dbraw/zinc/64/37/36/387643736.db2.gz SUNDHNIFYDDMIO-RYUDHWBXSA-N 2 0 214.353 1.391 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NCC[N@H+](C)C1CCCC1 ZINC000422736206 387643747 /nfs/dbraw/zinc/64/37/47/387643747.db2.gz FUNBVIIKPGWEGQ-RYUDHWBXSA-N 2 0 227.396 1.576 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1ccccn1 ZINC000422736948 387644785 /nfs/dbraw/zinc/64/47/85/387644785.db2.gz YWRRYOJZUPTEPW-OCCSQVGLSA-N 2 0 233.359 1.602 20 0 BDADRP C[C@@H](CNC(=O)C(C)(C)[NH3+])[N@@H+]1CCCC[C@H]1C ZINC000430749869 387647460 /nfs/dbraw/zinc/64/74/60/387647460.db2.gz XTFAACKQDDHCQH-MNOVXSKESA-N 2 0 241.379 1.103 20 0 BDADRP C[C@H]1CC[NH2+]C[C@H]1NCC[N@H+](C)C1CCCC1 ZINC000422744951 387648755 /nfs/dbraw/zinc/64/87/55/387648755.db2.gz ULNHMXKGGOQHQF-GXTWGEPZSA-N 2 0 239.407 1.448 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000422747458 387650562 /nfs/dbraw/zinc/65/05/62/387650562.db2.gz YSMISYMCUHVGNP-MRVWCRGKSA-N 2 0 237.391 1.473 20 0 BDADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000125312421 387651954 /nfs/dbraw/zinc/65/19/54/387651954.db2.gz HVBZIGNNFXIUFM-JSGCOSHPSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H]([NH2+]CCc1ccccc1)C1C[NH2+]C1 ZINC000422749016 387654036 /nfs/dbraw/zinc/65/40/36/387654036.db2.gz XAYQEARNGCFLID-NSHDSACASA-N 2 0 204.317 1.427 20 0 BDADRP CSCCCC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422755588 387657760 /nfs/dbraw/zinc/65/77/60/387657760.db2.gz KRCOFPIPLFQBHE-VHSXEESVSA-N 2 0 204.383 1.845 20 0 BDADRP C[C@@H](C[NH2+][C@@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000422754425 387657921 /nfs/dbraw/zinc/65/79/21/387657921.db2.gz GZEKVJHDPAOWCL-RYUDHWBXSA-N 2 0 218.344 1.988 20 0 BDADRP C[C@@H](C[NH2+][C@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000422754422 387658923 /nfs/dbraw/zinc/65/89/23/387658923.db2.gz GZEKVJHDPAOWCL-NWDGAFQWSA-N 2 0 218.344 1.988 20 0 BDADRP CC(C)[NH+](CCN[C@H](C)C1C[NH2+]C1)C(C)C ZINC000422755604 387659571 /nfs/dbraw/zinc/65/95/71/387659571.db2.gz KRUKIGLOFIZOHG-GFCCVEGCSA-N 2 0 227.396 1.303 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCCNc1ccccc1 ZINC000422756466 387661053 /nfs/dbraw/zinc/66/10/53/387661053.db2.gz LNWPQPFTCUAZHM-KBPBESRZSA-N 2 0 233.359 1.958 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCN(C)Cc1ccccc1 ZINC000422756561 387661459 /nfs/dbraw/zinc/66/14/59/387661459.db2.gz JASJJMUORMQZBC-KGLIPLIRSA-N 2 0 249.402 1.834 20 0 BDADRP C[C@H](N[C@H](CC[NH+](C)C)C(C)(C)C)C1C[NH2+]C1 ZINC000422761878 387662416 /nfs/dbraw/zinc/66/24/16/387662416.db2.gz NAWCZCGXNROLFT-WCQYABFASA-N 2 0 241.423 1.550 20 0 BDADRP CC[C@H](NCC[NH+]1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422759867 387663045 /nfs/dbraw/zinc/66/30/45/387663045.db2.gz KGYDOQWBEYIDGS-STQMWFEESA-N 2 0 225.380 1.202 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422759522 387664120 /nfs/dbraw/zinc/66/41/20/387664120.db2.gz PKCFATHUENIOKW-QNMSZWNNSA-N 2 0 237.391 1.343 20 0 BDADRP CSCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422765954 387666777 /nfs/dbraw/zinc/66/67/77/387666777.db2.gz WNSMSIIAWMOKDZ-ZACCUICWSA-N 2 0 214.378 1.612 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1NCC[NH+]1CCCC1 ZINC000422770156 387670128 /nfs/dbraw/zinc/67/01/28/387670128.db2.gz UKRATVYCCOXEHR-STQMWFEESA-N 2 0 225.380 1.332 20 0 BDADRP COC[C@H]([NH2+]CCC[NH+]1CCCCC1)C1CC1 ZINC000126037353 387670238 /nfs/dbraw/zinc/67/02/38/387670238.db2.gz MJJAKJPRNPPJEU-AWEZNQCLSA-N 2 0 240.391 1.877 20 0 BDADRP CC(C)OCC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431015026 387670787 /nfs/dbraw/zinc/67/07/87/387670787.db2.gz RDZAIKWCHNBVAJ-UHFFFAOYSA-N 2 0 226.364 1.487 20 0 BDADRP CC(C)OCCC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422773240 387671126 /nfs/dbraw/zinc/67/11/26/387671126.db2.gz ZNFFDQKSURHMMS-CHWSQXEVSA-N 2 0 228.380 1.779 20 0 BDADRP CCN1CCC([NH2+]C2CCC(C[NH3+])CC2)CC1 ZINC000422772278 387671215 /nfs/dbraw/zinc/67/12/15/387671215.db2.gz SMXWBLQWUIFTKI-UHFFFAOYSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1COc2ccccc2C1 ZINC000422775980 387673584 /nfs/dbraw/zinc/67/35/84/387673584.db2.gz CTSSMKVHYDBWSA-LOWVWBTDSA-N 2 0 234.343 1.706 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1NCCC[NH+]1CCCCC1 ZINC000422777298 387674010 /nfs/dbraw/zinc/67/40/10/387674010.db2.gz CAVPGTJLZSTKGL-QWHCGFSZSA-N 2 0 225.380 1.332 20 0 BDADRP CC(C)[C@H](O)CC[NH2+][C@H](C)CCCC[NH3+] ZINC000422776776 387676018 /nfs/dbraw/zinc/67/60/18/387676018.db2.gz DKEZJHPSDITNMF-VXGBXAGGSA-N 2 0 216.369 1.501 20 0 BDADRP CCCCOCC[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422777824 387676090 /nfs/dbraw/zinc/67/60/90/387676090.db2.gz GFMWWAZRJHYZOF-SNVBAGLBSA-N 2 0 200.326 1.001 20 0 BDADRP CC(C)CCOCC[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422776555 387676135 /nfs/dbraw/zinc/67/61/35/387676135.db2.gz CYJARIRLKMCGSF-NSHDSACASA-N 2 0 214.353 1.247 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C2C[NH2+]C2)C12CCC2 ZINC000422780021 387678557 /nfs/dbraw/zinc/67/85/57/387678557.db2.gz JQUWIKLDBGNAIU-CYZMBNFOSA-N 2 0 238.375 1.532 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1NCCC[NH+]1CCCC1 ZINC000422780170 387679330 /nfs/dbraw/zinc/67/93/30/387679330.db2.gz GZSSBELRURBWOP-KGLIPLIRSA-N 2 0 239.407 1.450 20 0 BDADRP COC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)C(C)C ZINC000126362348 387680868 /nfs/dbraw/zinc/68/08/68/387680868.db2.gz OQFXKPBXWNCVBU-GXTWGEPZSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@@H](CC[NH+](C)C)N[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422782438 387681247 /nfs/dbraw/zinc/68/12/47/387681247.db2.gz MYVDPHLNIOTCHM-SDDRHHMPSA-N 2 0 213.369 1.057 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000422783526 387683479 /nfs/dbraw/zinc/68/34/79/387683479.db2.gz OFQAFGBGCOVDOF-VOAKCMCISA-N 2 0 225.380 1.057 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1NCCC[NH+]1CCCC1 ZINC000422784483 387683879 /nfs/dbraw/zinc/68/38/79/387683879.db2.gz MGPIYRUXNSRSPA-UONOGXRCSA-N 2 0 239.407 1.722 20 0 BDADRP COCCOCCC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422784106 387684551 /nfs/dbraw/zinc/68/45/51/387684551.db2.gz LVSBYRFHSCOLOL-CHWSQXEVSA-N 2 0 244.379 1.017 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000422786776 387686526 /nfs/dbraw/zinc/68/65/26/387686526.db2.gz QTEPXAWQKDQFSW-WHOHXGKFSA-N 2 0 212.337 1.007 20 0 BDADRP C[C@H](CN[C@H]1CC[NH2+]CC[C@H]1C)[N@H+](C)C1CC1 ZINC000422743255 387689559 /nfs/dbraw/zinc/68/95/59/387689559.db2.gz RFEHUNWBAVOESV-BZPMIXESSA-N 2 0 239.407 1.447 20 0 BDADRP C[C@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)[N@H+](C)C1CC1 ZINC000422743258 387689996 /nfs/dbraw/zinc/68/99/96/387689996.db2.gz RFEHUNWBAVOESV-YRGRVCCFSA-N 2 0 239.407 1.447 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NCC1([NH+](C)C)CCCC1 ZINC000422788301 387690288 /nfs/dbraw/zinc/69/02/88/387690288.db2.gz RCBXESQDBZXKIE-RYUDHWBXSA-N 2 0 227.396 1.576 20 0 BDADRP CC[C@@H](NC[C@@H](C)[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000422743537 387690482 /nfs/dbraw/zinc/69/04/82/387690482.db2.gz RQRNQHIFNPKYEI-UTUOFQBUSA-N 2 0 213.369 1.057 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](O)Cc1ccccc1 ZINC000422743876 387690868 /nfs/dbraw/zinc/69/08/68/387690868.db2.gz SBJKNGHRDXAMTI-SGMGOOAPSA-N 2 0 236.359 1.305 20 0 BDADRP [NH3+]CC1CCC([NH2+]Cc2ccco2)CC1 ZINC000422742882 387691286 /nfs/dbraw/zinc/69/12/86/387691286.db2.gz HCMOLXRCHHIKEW-UHFFFAOYSA-N 2 0 208.305 1.887 20 0 BDADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@@H]1CCCOC1 ZINC000356902904 387744970 /nfs/dbraw/zinc/74/49/70/387744970.db2.gz RVJJALCLYXCDIZ-TZMCWYRMSA-N 2 0 238.375 1.653 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000422859741 387745240 /nfs/dbraw/zinc/74/52/40/387745240.db2.gz KFOIGPKWTNXLPZ-FQUUOJAGSA-N 2 0 241.423 1.965 20 0 BDADRP C[C@@H](NCC[N@@H+]1CCCC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422862091 387745269 /nfs/dbraw/zinc/74/52/69/387745269.db2.gz NJVMRFHSXYPWOY-MCIONIFRSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NCC[NH+]1CCC(C)CC1 ZINC000422867009 387746896 /nfs/dbraw/zinc/74/68/96/387746896.db2.gz RNQDATOUGXOURR-QWHCGFSZSA-N 2 0 227.396 1.434 20 0 BDADRP Cc1cc(F)ccc1CC[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422864969 387747327 /nfs/dbraw/zinc/74/73/27/387747327.db2.gz NZLJPWDNRSIGMS-NSHDSACASA-N 2 0 236.334 1.874 20 0 BDADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422863374 387747411 /nfs/dbraw/zinc/74/74/11/387747411.db2.gz LJPRHXXUGZATLS-FRRDWIJNSA-N 3 0 245.411 1.059 20 0 BDADRP C[C@H]([NH3+])C[NH2+][C@H]1CCc2ccccc2C1 ZINC000643526184 387748560 /nfs/dbraw/zinc/74/85/60/387748560.db2.gz SERSRVNBLGIYGY-GWCFXTLKSA-N 2 0 204.317 1.481 20 0 BDADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H](C)[NH3+])c1 ZINC000643526318 387750422 /nfs/dbraw/zinc/75/04/22/387750422.db2.gz ZGYGTQRNTYSSMT-NEPJUHHUSA-N 2 0 249.358 1.649 20 0 BDADRP [NH3+]CC1CCC([NH2+]C[C@@H]2CCCS2)CC1 ZINC000422872459 387753331 /nfs/dbraw/zinc/75/33/31/387753331.db2.gz HFRFCCSSOZOHMF-MCIGGMRASA-N 2 0 228.405 1.989 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000422873313 387753678 /nfs/dbraw/zinc/75/36/78/387753678.db2.gz KZKOYQCRYSZTAB-MPPDQPJWSA-N 2 0 225.380 1.185 20 0 BDADRP C[NH+](C)CCCC1CC[NH+](CCO)CC1 ZINC000123430726 387697036 /nfs/dbraw/zinc/69/70/36/387697036.db2.gz LAVXATWAGXCPEL-UHFFFAOYSA-N 2 0 214.353 1.033 20 0 BDADRP CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422796277 387698440 /nfs/dbraw/zinc/69/84/40/387698440.db2.gz YBEIFGLXSUAMHU-MVWJERBFSA-N 2 0 212.337 1.142 20 0 BDADRP Cc1ccc(C[NH2+][C@@H](C)C2C[NH2+]C2)cc1F ZINC000422798990 387700317 /nfs/dbraw/zinc/70/03/17/387700317.db2.gz UOTPHNPEAGXFOA-JTQLQIEISA-N 2 0 222.307 1.832 20 0 BDADRP CC(=O)Nc1ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422802599 387702220 /nfs/dbraw/zinc/70/22/20/387702220.db2.gz HOWPJGSCFUAYEA-MNOVXSKESA-N 2 0 249.358 1.860 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])C1CCOCC1 ZINC000422802456 387702700 /nfs/dbraw/zinc/70/27/00/387702700.db2.gz BNHJDZZMPFVQPE-MDZLAQPJSA-N 2 0 228.380 1.907 20 0 BDADRP CCC(CC)(CCO)C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422806292 387704562 /nfs/dbraw/zinc/70/45/62/387704562.db2.gz HVVAQFIYYPYSON-RYUDHWBXSA-N 2 0 228.380 1.645 20 0 BDADRP CC(C)C[C@@H](CCO)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422805518 387705486 /nfs/dbraw/zinc/70/54/86/387705486.db2.gz JGVRGZYESFFZFT-MCIONIFRSA-N 2 0 242.407 1.761 20 0 BDADRP CO[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000422810648 387707829 /nfs/dbraw/zinc/70/78/29/387707829.db2.gz SAIIXTMUNQHSHA-ZGVCCVRISA-N 2 0 226.364 1.530 20 0 BDADRP CC[N@H+](CCN[C@H](C)c1c[nH+]ccc1N)C1CC1 ZINC000422878752 387755128 /nfs/dbraw/zinc/75/51/28/387755128.db2.gz KNTVJQTZFVUNIW-LLVKDONJSA-N 2 0 248.374 1.629 20 0 BDADRP CCC(CC)(CCO)C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422813075 387711098 /nfs/dbraw/zinc/71/10/98/387711098.db2.gz RKBFOGPGALYIJU-NWDGAFQWSA-N 2 0 230.396 1.891 20 0 BDADRP CC[C@H]([NH2+][C@H](C)CCC[NH3+])C1CCOCC1 ZINC000422813465 387712073 /nfs/dbraw/zinc/71/20/73/387712073.db2.gz RZZIPAAAYUIQNC-YPMHNXCESA-N 2 0 228.380 1.909 20 0 BDADRP C[C@@H]([NH2+]CC1(CCO)CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422815585 387715593 /nfs/dbraw/zinc/71/55/93/387715593.db2.gz XZDYSJGRRADIES-OLZOCXBDSA-N 2 0 240.391 1.659 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643521782 387715802 /nfs/dbraw/zinc/71/58/02/387715802.db2.gz BNGGJORYQXSYBG-IHRRRGAJSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CCCSC1 ZINC000422820268 387716719 /nfs/dbraw/zinc/71/67/19/387716719.db2.gz PSSNENWBHBVAMP-WOPDTQHZSA-N 2 0 228.405 1.860 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCCSC1 ZINC000422818981 387717468 /nfs/dbraw/zinc/71/74/68/387717468.db2.gz LWLZCJYNEDKPHL-GUBZILKMSA-N 2 0 202.367 1.597 20 0 BDADRP C[C@H]([NH2+]C[C@@]1(C)CCCC[C@H]1O)C1C[NH2+]C1 ZINC000422818695 387717857 /nfs/dbraw/zinc/71/78/57/387717857.db2.gz GXFFTKIMJFPOLM-CYZMBNFOSA-N 2 0 226.364 1.125 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@@]1(C)CCCC[C@@H]1O ZINC000422824854 387719718 /nfs/dbraw/zinc/71/97/18/387719718.db2.gz OSNUEOOCFVQDTC-FRRDWIJNSA-N 2 0 228.380 1.645 20 0 BDADRP CCC[N@H+](CC)CCN[C@@H](C)C[C@@H](C)[NH3+] ZINC000422824117 387720953 /nfs/dbraw/zinc/72/09/53/387720953.db2.gz MYIDCHLRENINNO-NEPJUHHUSA-N 2 0 215.385 1.434 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@@]1(C)CCCC[C@H]1O ZINC000422824855 387721098 /nfs/dbraw/zinc/72/10/98/387721098.db2.gz OSNUEOOCFVQDTC-JHJVBQTASA-N 2 0 228.380 1.645 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CCCc2c1cnn2C ZINC000422838556 387729384 /nfs/dbraw/zinc/72/93/84/387729384.db2.gz XMAQHUMKIQWQLF-UMNHJUIQSA-N 2 0 236.363 1.513 20 0 BDADRP Cc1c([C@H](C)[NH2+][C@@H](C)C[C@@H](C)[NH3+])cnn1C ZINC000422837907 387729496 /nfs/dbraw/zinc/72/94/96/387729496.db2.gz VRYPIAROHYQKHR-UTLUCORTSA-N 2 0 224.352 1.505 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1nccs1 ZINC000422839820 387730426 /nfs/dbraw/zinc/73/04/26/387730426.db2.gz RMFKMTXRUZIBNA-QWRGUYRKSA-N 2 0 239.388 1.663 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H](C)N1CCC[C@@H](C)C1 ZINC000422855765 387738181 /nfs/dbraw/zinc/73/81/81/387738181.db2.gz FCWKSFFXUFLEFR-MGPQQGTHSA-N 2 0 241.423 1.824 20 0 BDADRP CC(=O)Nc1cccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000422856214 387740329 /nfs/dbraw/zinc/74/03/29/387740329.db2.gz FUAKOKSIZFBVHH-MNOVXSKESA-N 2 0 249.358 1.860 20 0 BDADRP [NH3+]CC1CCC([NH2+]CCOCC2CC2)CC1 ZINC000422891359 387764383 /nfs/dbraw/zinc/76/43/83/387764383.db2.gz VFKPUCACDTXVBR-UHFFFAOYSA-N 2 0 226.364 1.520 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422897806 387764877 /nfs/dbraw/zinc/76/48/77/387764877.db2.gz CXBHBOLGZQBFBY-FRRDWIJNSA-N 2 0 225.380 1.330 20 0 BDADRP C[C@@H]([NH3+])C[NH2+]C1CCC(C(F)F)CC1 ZINC000643527954 387765532 /nfs/dbraw/zinc/76/55/32/387765532.db2.gz WCQCZPLJEUZFCX-AFPNSQJFSA-N 2 0 206.280 1.747 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CN[C@H]1CCCCC[C@H]1[NH3+] ZINC000422897808 387765508 /nfs/dbraw/zinc/76/55/08/387765508.db2.gz CXBHBOLGZQBFBY-UPJWGTAASA-N 2 0 225.380 1.330 20 0 BDADRP C[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCC[NH2+]1 ZINC000422894485 387766744 /nfs/dbraw/zinc/76/67/44/387766744.db2.gz CKWBIUWQIOMPDW-IGQOVBAYSA-N 2 0 237.391 1.343 20 0 BDADRP CC[C@H](O)CC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422894353 387766874 /nfs/dbraw/zinc/76/68/74/387766874.db2.gz SYFBSPITXQUFSA-WOPDTQHZSA-N 2 0 214.353 1.125 20 0 BDADRP C(C1CC1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000378155593 387767357 /nfs/dbraw/zinc/76/73/57/387767357.db2.gz QYILJEPVCZDBOS-UHFFFAOYSA-N 2 0 238.375 1.441 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000422909693 387768314 /nfs/dbraw/zinc/76/83/14/387768314.db2.gz OSZGGGJHECWEGY-BFHYXJOUSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]([NH3+])C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000643528430 387770449 /nfs/dbraw/zinc/77/04/49/387770449.db2.gz JAULGFNTROVHSZ-RISCZKNCSA-N 2 0 218.344 1.945 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCSC1 ZINC000422921728 387775783 /nfs/dbraw/zinc/77/57/83/387775783.db2.gz QSPBVPWGVMRABH-AXFHLTTASA-N 2 0 214.378 1.742 20 0 BDADRP CC(C)C1(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])CC1 ZINC000422919337 387775973 /nfs/dbraw/zinc/77/59/73/387775973.db2.gz JPUOQAONGWAHGR-RWMBFGLXSA-N 2 0 240.391 1.765 20 0 BDADRP CC(C)N1C[C@H]([NH2+][C@@H](C)CCCC[NH3+])CC1=O ZINC000422918988 387776346 /nfs/dbraw/zinc/77/63/46/387776346.db2.gz JIWZYBISKGCPBW-NWDGAFQWSA-N 2 0 241.379 1.103 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000643529604 387778016 /nfs/dbraw/zinc/77/80/16/387778016.db2.gz FZMXARORPUMSGH-NEPJUHHUSA-N 3 0 227.396 1.304 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)[C@H](CCC)[NH+](C)C ZINC000422900911 387785524 /nfs/dbraw/zinc/78/55/24/387785524.db2.gz KHZJJHONDZPAHT-RYUDHWBXSA-N 2 0 243.395 1.350 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)C[C@@H]1CCCO1 ZINC000422900937 387785670 /nfs/dbraw/zinc/78/56/70/387785670.db2.gz KJUYHTWXNQQSSY-BJDJZHNGSA-N 2 0 214.353 1.659 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1CCOC1)[C@@H]1CCCC[NH2+]1 ZINC000422900101 387785736 /nfs/dbraw/zinc/78/57/36/387785736.db2.gz PWHYNRVNCSDRPS-AVGNSLFASA-N 2 0 226.364 1.533 20 0 BDADRP OC1CC(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000432408932 387786822 /nfs/dbraw/zinc/78/68/22/387786822.db2.gz DJDBOEGSUPEKGV-CEUNDQEZSA-N 2 0 238.375 1.364 20 0 BDADRP CCC[N@@H+]1CC[C@H](CN[C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000422978593 387788391 /nfs/dbraw/zinc/78/83/91/387788391.db2.gz ZSQZQKNYOKHCSR-BFHYXJOUSA-N 2 0 239.407 1.306 20 0 BDADRP CCC[N@@H+]1CC[C@H](CN[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000422978535 387789164 /nfs/dbraw/zinc/78/91/64/387789164.db2.gz ZNMGWQDNXFYPGQ-FRRDWIJNSA-N 2 0 225.380 1.188 20 0 BDADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CCC[NH3+])C1 ZINC000422977311 387789825 /nfs/dbraw/zinc/78/98/25/387789825.db2.gz WQFYUERHUQCIQZ-OLZOCXBDSA-N 3 0 227.396 1.435 20 0 BDADRP CC[C@H]([NH2+]C[C@](C)(O)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000422979585 387791974 /nfs/dbraw/zinc/79/19/74/387791974.db2.gz NDIBTXAZWRNLHY-AVGNSLFASA-N 2 0 228.380 1.514 20 0 BDADRP C[C@H]([NH2+]C/C=C\c1ccccc1)C1C[NH2+]C1 ZINC000422983382 387793325 /nfs/dbraw/zinc/79/33/25/387793325.db2.gz ZFWCTSMHDGXXCG-JECSTDCCSA-N 2 0 216.328 1.897 20 0 BDADRP CCc1nn(C)cc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422986439 387795460 /nfs/dbraw/zinc/79/54/60/387795460.db2.gz GUMVKSOTWCBCKS-VHSXEESVSA-N 2 0 224.352 1.198 20 0 BDADRP C[C@H]([NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12)C1C[NH2+]C1 ZINC000422987171 387796489 /nfs/dbraw/zinc/79/64/89/387796489.db2.gz FOHNCJIBDDFUMC-ZWMNYZCKSA-N 2 0 242.366 1.770 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000422988326 387797533 /nfs/dbraw/zinc/79/75/33/387797533.db2.gz KKMPJCORBJOCJG-OUJBWJOFSA-N 2 0 240.322 1.575 20 0 BDADRP COc1cccc(CC[NH2+][C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000423001249 387805150 /nfs/dbraw/zinc/80/51/50/387805150.db2.gz DIRYEWOYXIIZGY-YPMHNXCESA-N 2 0 249.358 1.350 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCCc1ccccn1 ZINC000423000038 387805523 /nfs/dbraw/zinc/80/55/23/387805523.db2.gz ULKDPPQFERMXHI-NWDGAFQWSA-N 2 0 221.348 1.730 20 0 BDADRP CC(C)C[N@@H+]1CCCC[C@H]1CN[C@H]1CC[NH2+]C1 ZINC000422997885 387805730 /nfs/dbraw/zinc/80/57/30/387805730.db2.gz OYCDGVCRKYDTFS-KBPBESRZSA-N 2 0 239.407 1.448 20 0 BDADRP COc1cccc(CC[NH2+][C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000423001248 387805897 /nfs/dbraw/zinc/80/58/97/387805897.db2.gz DIRYEWOYXIIZGY-WCQYABFASA-N 2 0 249.358 1.350 20 0 BDADRP CC[C@H](NCCC[N@H+](C)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000422962915 387813387 /nfs/dbraw/zinc/81/33/87/387813387.db2.gz HAARPNZDXXMPLE-KBPBESRZSA-N 2 0 241.423 1.837 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCCc1ccccn1 ZINC000423002232 387806647 /nfs/dbraw/zinc/80/66/47/387806647.db2.gz YOZKAPMATMVCAO-GXTWGEPZSA-N 2 0 233.359 1.731 20 0 BDADRP CCC[C@H](CCO)C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423001908 387807602 /nfs/dbraw/zinc/80/76/02/387807602.db2.gz FGTCFQYDXAGXSO-IJLUTSLNSA-N 2 0 216.369 1.501 20 0 BDADRP CCN(CC)C(=O)CCC[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422953530 387808995 /nfs/dbraw/zinc/80/89/95/387808995.db2.gz FVCJFNYDVCJCHK-VXGBXAGGSA-N 2 0 241.379 1.104 20 0 BDADRP CCN(CC)C(=O)CCC[NH2+][C@H](C)CCC[NH3+] ZINC000422952541 387809033 /nfs/dbraw/zinc/80/90/33/387809033.db2.gz CVIQAWPWJRSWHP-GFCCVEGCSA-N 2 0 243.395 1.352 20 0 BDADRP CSC1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000193815625 387809401 /nfs/dbraw/zinc/80/94/01/387809401.db2.gz LYYBHGTXPHINNL-WDEREUQCSA-N 2 0 228.405 1.954 20 0 BDADRP CC(C)[N@@H+](C)CCN[C@H](C)C[C@H](C)[NH3+] ZINC000422880427 387758081 /nfs/dbraw/zinc/75/80/81/387758081.db2.gz OBCGODZNFONGFB-WDEREUQCSA-N 2 0 201.358 1.042 20 0 BDADRP COCCC1(C[NH2+][C@@H](C)C[C@H](C)[NH3+])CCC1 ZINC000422887954 387760890 /nfs/dbraw/zinc/76/08/90/387760890.db2.gz LUOVBETXPCDZCK-RYUDHWBXSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCOCC1CC1 ZINC000422888312 387761191 /nfs/dbraw/zinc/76/11/91/387761191.db2.gz MOCGFPYGUVJNAI-VHSXEESVSA-N 2 0 200.326 1.128 20 0 BDADRP CC[C@@H]([NH2+]CCCC(C)(C)CO)[C@@H]1CCC[NH2+]1 ZINC000423008561 387830890 /nfs/dbraw/zinc/83/08/90/387830890.db2.gz TXKIFWWWRCEWQI-OLZOCXBDSA-N 2 0 242.407 1.905 20 0 BDADRP CC(C)CSCC[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000423009107 387831443 /nfs/dbraw/zinc/83/14/43/387831443.db2.gz CEUZBCLYSTXSCN-WDEREUQCSA-N 2 0 216.394 1.845 20 0 BDADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000423014820 387838249 /nfs/dbraw/zinc/83/82/49/387838249.db2.gz JLODLCFVHFWWBW-WRWGMCAJSA-N 2 0 212.337 1.271 20 0 BDADRP Cc1cncc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000423016263 387839311 /nfs/dbraw/zinc/83/93/11/387839311.db2.gz SOPLCXITTMVFRR-CHWSQXEVSA-N 2 0 219.332 1.607 20 0 BDADRP C[C@H](CCO)C1(C[NH2+][C@H]2CCC[C@H]2[NH3+])CCC1 ZINC000423015005 387839593 /nfs/dbraw/zinc/83/95/93/387839593.db2.gz JUOJNPMOBHREIS-UPJWGTAASA-N 2 0 240.391 1.645 20 0 BDADRP C[C@H]1[C@H]([NH2+]C2CCC([NH3+])CC2)CCCN1C ZINC000423026202 387843325 /nfs/dbraw/zinc/84/33/25/387843325.db2.gz AYNIZMOYWOHTFY-YWPUVAFDSA-N 2 0 225.380 1.329 20 0 BDADRP CC1(C)C[C@@H]1[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423027737 387843332 /nfs/dbraw/zinc/84/33/32/387843332.db2.gz POQFPFSOLGINEF-XQHKEYJVSA-N 2 0 238.375 1.532 20 0 BDADRP C[C@H](CCN[C@@H]1CCC[C@H]1[NH3+])[NH+]1CCCCC1 ZINC000423026154 387844099 /nfs/dbraw/zinc/84/40/99/387844099.db2.gz ARYZCBTVXQFRSQ-MGPQQGTHSA-N 2 0 239.407 1.720 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC[C@H]1CCOC1 ZINC000423031535 387846626 /nfs/dbraw/zinc/84/66/26/387846626.db2.gz LGIRFAKMHDCHKU-FRRDWIJNSA-N 2 0 226.364 1.391 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCCCS1)C1C[NH2+]C1 ZINC000423029550 387847276 /nfs/dbraw/zinc/84/72/76/387847276.db2.gz IIOMLOIGDFPJIE-ONGXEEELSA-N 2 0 214.378 1.470 20 0 BDADRP C[N@H+](CCC[NH3+])CCCOc1ccccc1 ZINC000061815625 387847658 /nfs/dbraw/zinc/84/76/58/387847658.db2.gz QKEHGHNGOMUXMA-UHFFFAOYSA-N 2 0 222.332 1.736 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CCCO1)[C@H]1CCCC[NH2+]1 ZINC000643459591 387847762 /nfs/dbraw/zinc/84/77/62/387847762.db2.gz BOBQNOIPWIPAHO-JHJVBQTASA-N 2 0 226.364 1.676 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000423032674 387848511 /nfs/dbraw/zinc/84/85/11/387848511.db2.gz MYQJUZHBYVZMLA-RQJABVFESA-N 2 0 240.391 1.922 20 0 BDADRP CC1=CC[N@H+](CCN[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000423039796 387852709 /nfs/dbraw/zinc/85/27/09/387852709.db2.gz RRKRPCLMBKIGJB-KGLIPLIRSA-N 2 0 237.391 1.226 20 0 BDADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCCOC1)[C@@H]1CCC[NH2+]1 ZINC000423040806 387852894 /nfs/dbraw/zinc/85/28/94/387852894.db2.gz IAFVKNMKBIPRLI-CYDGBPFRSA-N 2 0 226.364 1.532 20 0 BDADRP COCCC(C)(C)C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423038247 387853946 /nfs/dbraw/zinc/85/39/46/387853946.db2.gz ODGQFBPCZNYXMQ-WDEREUQCSA-N 2 0 216.369 1.765 20 0 BDADRP COC1CCC(CC[NH2+]C2CC[NH2+]CC2)CC1 ZINC000423038446 387854133 /nfs/dbraw/zinc/85/41/33/387854133.db2.gz OISKBAVKHBUNTM-UHFFFAOYSA-N 2 0 240.391 1.923 20 0 BDADRP Cc1noc(C)c1CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193655295 387857904 /nfs/dbraw/zinc/85/79/04/387857904.db2.gz BUMUDAFAFRMDSL-TXEJJXNPSA-N 2 0 235.331 1.285 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000423051012 387859207 /nfs/dbraw/zinc/85/92/07/387859207.db2.gz ZLNKGRILUBWWAU-BJDJZHNGSA-N 2 0 214.353 1.659 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CC23CC[NH2+]CC3)CN1C1CC1 ZINC000643534765 387860115 /nfs/dbraw/zinc/86/01/15/387860115.db2.gz CJXZNBQFEUPCQG-BZPMIXESSA-N 2 0 249.402 1.343 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1O ZINC000423050103 387860535 /nfs/dbraw/zinc/86/05/35/387860535.db2.gz KTBFDPOZLOTSKL-LMLFDSFASA-N 2 0 200.326 1.005 20 0 BDADRP C[C@@H](C[NH+]1CCCCCC1)N[C@@H](C)C1C[NH2+]C1 ZINC000423050789 387860869 /nfs/dbraw/zinc/86/08/69/387860869.db2.gz MCTDIMGYEXHGMS-STQMWFEESA-N 2 0 239.407 1.448 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000423054704 387862226 /nfs/dbraw/zinc/86/22/26/387862226.db2.gz CCFVKDALUDVPNU-QSLWVIQJSA-N 2 0 238.375 1.661 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)CC1 ZINC000423053327 387863076 /nfs/dbraw/zinc/86/30/76/387863076.db2.gz AKUFDJZXSSVBPG-PNKMZZHYSA-N 2 0 238.375 1.661 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](CCO)c1ccco1 ZINC000423055951 387863319 /nfs/dbraw/zinc/86/33/19/387863319.db2.gz XHFYWTOULOTGIC-NEPJUHHUSA-N 2 0 240.347 1.810 20 0 BDADRP CO[C@H](C)C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423056504 387863485 /nfs/dbraw/zinc/86/34/85/387863485.db2.gz GAYISZGOEVQYQK-BZPMIXESSA-N 2 0 236.359 1.569 20 0 BDADRP CO[C@H](C)C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423056507 387863642 /nfs/dbraw/zinc/86/36/42/387863642.db2.gz GAYISZGOEVQYQK-YRGRVCCFSA-N 2 0 236.359 1.569 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@H]1CCO)[C@H]1CCC[NH2+]1 ZINC000423059432 387865406 /nfs/dbraw/zinc/86/54/06/387865406.db2.gz FSMFAUAJNUNREL-RVMXOQNASA-N 2 0 226.364 1.268 20 0 BDADRP CC[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12)[C@@H]1CCC[NH2+]1 ZINC000423061271 387866052 /nfs/dbraw/zinc/86/60/52/387866052.db2.gz QIWWPJIKYOKTOY-YHQUGGNUSA-N 2 0 238.375 1.674 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)NCC1([NH+](C)C)CCC1 ZINC000423063119 387867475 /nfs/dbraw/zinc/86/74/75/387867475.db2.gz VNGLZRGTHRVOBQ-MNOVXSKESA-N 2 0 213.369 1.186 20 0 BDADRP CC1(C)CC[C@@H]1[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643536258 387868041 /nfs/dbraw/zinc/86/80/41/387868041.db2.gz PHZPKGDKEYIFLJ-WDEREUQCSA-N 2 0 208.349 1.907 20 0 BDADRP CC[C@H]([NH2+]CCC(C)(C)O)[C@@H]1CCC[NH2+]1 ZINC000423065905 387870109 /nfs/dbraw/zinc/87/01/09/387870109.db2.gz VOHUBXDLFZBMAJ-QWRGUYRKSA-N 2 0 214.353 1.268 20 0 BDADRP CCOC1CC(CC[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000423071784 387871803 /nfs/dbraw/zinc/87/18/03/387871803.db2.gz OVHWMRNRFDCEOV-RYSNWHEDSA-N 2 0 240.391 1.922 20 0 BDADRP CCOC1CC(CC[NH2+][C@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000423071782 387872551 /nfs/dbraw/zinc/87/25/51/387872551.db2.gz OVHWMRNRFDCEOV-BLYZHGLHSA-N 2 0 240.391 1.922 20 0 BDADRP CC[C@H](CN[C@H]1CCC[C@H]1[NH3+])[NH+]1CCCC1 ZINC000422965264 387813934 /nfs/dbraw/zinc/81/39/34/387813934.db2.gz OFIZJJDCORFBGH-UPJWGTAASA-N 2 0 225.380 1.330 20 0 BDADRP CC[C@H](CN[C@H](C)C[C@@H](C)[NH3+])[NH+]1CCCC1 ZINC000422964132 387814016 /nfs/dbraw/zinc/81/40/16/387814016.db2.gz KJNVMSAJIUWBHM-JHJVBQTASA-N 2 0 227.396 1.576 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H](c1ccco1)N(C)C ZINC000422965654 387816038 /nfs/dbraw/zinc/81/60/38/387816038.db2.gz PDVYAOZMCFWSJQ-QJPTWQEYSA-N 2 0 239.363 1.598 20 0 BDADRP CC1(C)SC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000423105070 387891767 /nfs/dbraw/zinc/89/17/67/387891767.db2.gz NAEBDRYPEFYRLX-YIZRAAEISA-N 2 0 200.351 1.350 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](CO)CC1CCCC1 ZINC000423106912 387891974 /nfs/dbraw/zinc/89/19/74/387891974.db2.gz RQHKINRYOXASCU-SGMGOOAPSA-N 2 0 242.407 1.891 20 0 BDADRP C[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)C[C@H]1O ZINC000444615769 387892743 /nfs/dbraw/zinc/89/27/43/387892743.db2.gz ZJDMBRNBCPNDAA-ZIAGYGMSSA-N 2 0 240.391 1.565 20 0 BDADRP CCC[N@@H+]1CCC[C@H]1CN[C@H]1C[NH2+]CC[C@H]1C ZINC000423112240 387894953 /nfs/dbraw/zinc/89/49/53/387894953.db2.gz RUHTXIUUBSQILQ-RDBSUJKOSA-N 2 0 239.407 1.448 20 0 BDADRP OCC[C@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000444627464 387896123 /nfs/dbraw/zinc/89/61/23/387896123.db2.gz AGRVRQUSKUVPJG-CQSZACIVSA-N 2 0 240.391 1.709 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCOC[C@@H]1C ZINC000423111880 387896276 /nfs/dbraw/zinc/89/62/76/387896276.db2.gz RCILQPKMXCFACO-XQQFMLRXSA-N 2 0 228.380 1.766 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])c1ccncc1 ZINC000643460367 387875473 /nfs/dbraw/zinc/87/54/73/387875473.db2.gz WIPJVWSZUGCAER-KWCYVHTRSA-N 2 0 233.359 1.902 20 0 BDADRP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000423080329 387875744 /nfs/dbraw/zinc/87/57/44/387875744.db2.gz AAHXKGZGNUVVKJ-IRCOFANPSA-N 2 0 240.347 1.045 20 0 BDADRP CC[C@@H]([NH2+]CCC1CC(O)C1)[C@@H]1CCC[NH2+]1 ZINC000423076263 387876850 /nfs/dbraw/zinc/87/68/50/387876850.db2.gz QPNKDGAJMJXSIB-TUUUFIMRSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@H]([NH2+]CCC1CC(O)C1)[C@H]1CCCC[NH2+]1 ZINC000423075874 387877358 /nfs/dbraw/zinc/87/73/58/387877358.db2.gz POOVNXKZWNCKFK-YWPUVAFDSA-N 2 0 226.364 1.268 20 0 BDADRP COC(=O)[C@H]1CC[C@@H]([NH2+][C@H](C)C[C@H](C)[NH3+])C1 ZINC000423084308 387878340 /nfs/dbraw/zinc/87/83/40/387878340.db2.gz HQGUDRDPGSSQMT-ZRUFSTJUSA-N 2 0 228.336 1.044 20 0 BDADRP CSC1(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000423082706 387878595 /nfs/dbraw/zinc/87/85/95/387878595.db2.gz FPWRWKBSWNBVCS-WDEREUQCSA-N 2 0 228.405 1.860 20 0 BDADRP CCSCCC[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000423116965 387898440 /nfs/dbraw/zinc/89/84/40/387898440.db2.gz SGGHRPCKKFBVEQ-VHSXEESVSA-N 2 0 202.367 1.599 20 0 BDADRP CCO[C@H](C[NH2+][C@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000423086170 387879956 /nfs/dbraw/zinc/87/99/56/387879956.db2.gz LLVRRZGDAJOHML-IUODEOHRSA-N 2 0 248.370 1.962 20 0 BDADRP CCO[C@@H](C[NH2+][C@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000423086169 387880838 /nfs/dbraw/zinc/88/08/38/387880838.db2.gz LLVRRZGDAJOHML-DOMZBBRYSA-N 2 0 248.370 1.962 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000423092662 387882030 /nfs/dbraw/zinc/88/20/30/387882030.db2.gz CVZYWRJJCALVSS-IVZWLZJFSA-N 2 0 218.291 1.891 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H](CO)CCC(C)(C)C ZINC000423092823 387883062 /nfs/dbraw/zinc/88/30/62/387883062.db2.gz DOVMMHRATIAQHZ-NEPJUHHUSA-N 2 0 230.396 1.891 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000423092660 387883485 /nfs/dbraw/zinc/88/34/85/387883485.db2.gz CVZYWRJJCALVSS-AEJSXWLSSA-N 2 0 218.291 1.891 20 0 BDADRP Cc1csc(CC[NH2+][C@@H](C)C[C@H](C)[NH3+])n1 ZINC000643460675 387885506 /nfs/dbraw/zinc/88/55/06/387885506.db2.gz CLQXORAIXOIFIK-IUCAKERBSA-N 2 0 227.377 1.709 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000423098514 387886375 /nfs/dbraw/zinc/88/63/75/387886375.db2.gz CYSIRUYQPNAJKG-STQMWFEESA-N 2 0 244.342 1.575 20 0 BDADRP Cc1cc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])n(C)n1 ZINC000423101150 387887604 /nfs/dbraw/zinc/88/76/04/387887604.db2.gz IEXFHFSOCOFFBC-AAEUAGOBSA-N 2 0 236.363 1.336 20 0 BDADRP CCC[C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])OC ZINC000423142411 387918668 /nfs/dbraw/zinc/91/86/68/387918668.db2.gz AKBGJVLDILINTR-HBNTYKKESA-N 2 0 202.342 1.517 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1CCCOC1 ZINC000423119757 387900134 /nfs/dbraw/zinc/90/01/34/387900134.db2.gz DPFROPYQVJFBJI-QJPTWQEYSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@@H](F)C1)[C@@H]1CCCC[NH2+]1 ZINC000423120087 387900371 /nfs/dbraw/zinc/90/03/71/387900371.db2.gz GEDONRQCRDQJGM-USZNOCQGSA-N 2 0 214.328 1.997 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+][C@H]1CCCOC1 ZINC000423118901 387901485 /nfs/dbraw/zinc/90/14/85/387901485.db2.gz CODPDARBERRPKO-SDDRHHMPSA-N 2 0 212.337 1.415 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000423118182 387901701 /nfs/dbraw/zinc/90/17/01/387901701.db2.gz ZEANHXQWRHHELM-JBLDHEPKSA-N 2 0 236.363 1.513 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H](CO)C1)[C@H]1CC[NH2+]C1 ZINC000423121096 387901747 /nfs/dbraw/zinc/90/17/47/387901747.db2.gz IDTMDIMYKFQDOT-FQUUOJAGSA-N 2 0 240.391 1.373 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000423127280 387904527 /nfs/dbraw/zinc/90/45/27/387904527.db2.gz PDYUPKCQRXAKHO-REWJHTLYSA-N 2 0 240.391 1.502 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@H]1COc2ccccc21 ZINC000423129659 387907581 /nfs/dbraw/zinc/90/75/81/387907581.db2.gz XMZXCTKTZBSKJN-UHTWSYAYSA-N 2 0 232.327 1.632 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](CO)C1CC1 ZINC000423134187 387911177 /nfs/dbraw/zinc/91/11/77/387911177.db2.gz DMIQXNUANIWUEO-AVGNSLFASA-N 2 0 226.364 1.112 20 0 BDADRP CC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])C(C)(C)O ZINC000423134938 387912164 /nfs/dbraw/zinc/91/21/64/387912164.db2.gz NAPADMYUFSNOOO-AEJSXWLSSA-N 2 0 202.342 1.251 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCC1(F)CCC1 ZINC000423134074 387912533 /nfs/dbraw/zinc/91/25/33/387912533.db2.gz WJCCYZKNHGWJST-UWVGGRQHSA-N 2 0 200.301 1.738 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCC1(F)CCC1 ZINC000423134076 387912795 /nfs/dbraw/zinc/91/27/95/387912795.db2.gz WJCCYZKNHGWJST-ZJUUUORDSA-N 2 0 200.301 1.738 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000423144761 387919663 /nfs/dbraw/zinc/91/96/63/387919663.db2.gz HWFNWFRVCCOKRO-WRWGMCAJSA-N 2 0 214.328 1.984 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)N[C@H](C)C[C@H](C)[NH3+] ZINC000423139465 387916890 /nfs/dbraw/zinc/91/68/90/387916890.db2.gz KTNVFEDCEVRGQQ-XQQFMLRXSA-N 2 0 229.412 1.822 20 0 BDADRP C[C@H]([NH2+]CC1(CF)CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000423152843 387931583 /nfs/dbraw/zinc/93/15/83/387931583.db2.gz MQASBIQVBBOYEQ-RYUDHWBXSA-N 2 0 244.354 1.483 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000423153011 387931736 /nfs/dbraw/zinc/93/17/36/387931736.db2.gz MSKRHXHKTABGAT-LMLFDSFASA-N 2 0 200.326 1.269 20 0 BDADRP Cc1cccnc1CCC[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000423155098 387935124 /nfs/dbraw/zinc/93/51/24/387935124.db2.gz PXUCBZRGBXGWLQ-GXTWGEPZSA-N 2 0 233.359 1.792 20 0 BDADRP CC(C)(C[NH2+][C@H]1CCC[C@H]1[NH3+])C1(O)CCCC1 ZINC000423157866 387936036 /nfs/dbraw/zinc/93/60/36/387936036.db2.gz BTICYTLJJLWTHB-NEPJUHHUSA-N 2 0 240.391 1.787 20 0 BDADRP CCn1cc([C@H](C)[NH2+][C@H](C)C[C@H](C)[NH3+])cn1 ZINC000423160648 387936821 /nfs/dbraw/zinc/93/68/21/387936821.db2.gz MLULWHILQDVJNQ-AXFHLTTASA-N 2 0 224.352 1.679 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000423144759 387920217 /nfs/dbraw/zinc/92/02/17/387920217.db2.gz HWFNWFRVCCOKRO-QCNOEVLYSA-N 2 0 214.328 1.984 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)N[C@H]1CCC[C@@H]1[NH3+] ZINC000423144666 387920966 /nfs/dbraw/zinc/92/09/66/387920966.db2.gz ZJDCDAMNVSYKNE-AVGNSLFASA-N 2 0 227.396 1.576 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000423147220 387924272 /nfs/dbraw/zinc/92/42/72/387924272.db2.gz RKYUIEFIACKBIF-FIQHERPVSA-N 2 0 214.328 1.855 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000423147223 387925552 /nfs/dbraw/zinc/92/55/52/387925552.db2.gz RKYUIEFIACKBIF-NOOOWODRSA-N 2 0 214.328 1.855 20 0 BDADRP CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000423151568 387929189 /nfs/dbraw/zinc/92/91/89/387929189.db2.gz CRPNKTRLEOWRCQ-YNEHKIRRSA-N 2 0 244.379 1.145 20 0 BDADRP C[C@@H]([NH2+]C[C@@H](C)CCCO)[C@H]1CCC[NH2+]1 ZINC000423167050 387951720 /nfs/dbraw/zinc/95/17/20/387951720.db2.gz ZZHMEQGNZCZOEZ-QJPTWQEYSA-N 2 0 214.353 1.125 20 0 BDADRP COCC[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000423167729 387952843 /nfs/dbraw/zinc/95/28/43/387952843.db2.gz FRRSZBOOCVAUCF-QJPTWQEYSA-N 2 0 214.353 1.376 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCCc1ccncc1 ZINC000424289537 387953396 /nfs/dbraw/zinc/95/33/96/387953396.db2.gz LVROXIHXUHMTPH-ZIAGYGMSSA-N 2 0 233.359 1.874 20 0 BDADRP C[C@@H]1CCNC[C@H]1[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000423171512 387956582 /nfs/dbraw/zinc/95/65/82/387956582.db2.gz OSWUHKDSXFUOCD-HZSPNIEDSA-N 2 0 239.407 1.306 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000423168474 387955236 /nfs/dbraw/zinc/95/52/36/387955236.db2.gz XZTCFHUNCSWIKR-XDQVBPFNSA-N 2 0 240.391 1.515 20 0 BDADRP C[C@H]1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)O1 ZINC000423169888 387955527 /nfs/dbraw/zinc/95/55/27/387955527.db2.gz WUZQVCCSKFIOEN-UVYIHGJDSA-N 2 0 224.348 1.427 20 0 BDADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2[NH3+])C1 ZINC000423159197 387938639 /nfs/dbraw/zinc/93/86/39/387938639.db2.gz FMZTYCOWCVHJIY-WRWGMCAJSA-N 2 0 212.337 1.412 20 0 BDADRP Cc1cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])ccn1 ZINC000423159149 387939362 /nfs/dbraw/zinc/93/93/62/387939362.db2.gz OXBRPSFDTWONTL-NXEZZACHSA-N 2 0 207.321 1.605 20 0 BDADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423160083 387940395 /nfs/dbraw/zinc/94/03/95/387940395.db2.gz GUSMCLZFDRIIEQ-JSGCOSHPSA-N 3 0 239.407 1.591 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCCOC)[C@H](C)C1 ZINC000158235492 387942160 /nfs/dbraw/zinc/94/21/60/387942160.db2.gz DPRWJBNIKFFRSV-CHWSQXEVSA-N 2 0 228.380 1.733 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCO1 ZINC000423160036 387942165 /nfs/dbraw/zinc/94/21/65/387942165.db2.gz QHZLLDGSUBSZRG-IJLUTSLNSA-N 2 0 212.337 1.273 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)NCC[N@@H+]1CCCC1(C)C ZINC000423162655 387943032 /nfs/dbraw/zinc/94/30/32/387943032.db2.gz LKITXLDMQYUPOZ-VXGBXAGGSA-N 2 0 227.396 1.576 20 0 BDADRP CC[C@H](O)[C@H](CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423165744 387947258 /nfs/dbraw/zinc/94/72/58/387947258.db2.gz UUQLUMKFWSHTRC-RSMQCKGYSA-N 2 0 226.364 1.409 20 0 BDADRP Cc1ccc(CC[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)nc1 ZINC000423165768 387947721 /nfs/dbraw/zinc/94/77/21/387947721.db2.gz QHEJUOSMWYLQDF-UKRRQHHQSA-N 2 0 247.386 1.910 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H](O)C1CCC1 ZINC000423165719 387948106 /nfs/dbraw/zinc/94/81/06/387948106.db2.gz QEVVMHUCPSCKPZ-RAIGVLPGSA-N 2 0 226.364 1.125 20 0 BDADRP COCC1(C[NH2+][C@H](C)C2C[NH2+]C2)CCCC1 ZINC000423165027 387948348 /nfs/dbraw/zinc/94/83/48/387948348.db2.gz PJCRMAWFVNWDFE-LLVKDONJSA-N 2 0 226.364 1.391 20 0 BDADRP Cc1ccc(CC[NH2+][C@H]2CC[NH2+]CC[C@H]2C)nc1 ZINC000423165766 387948531 /nfs/dbraw/zinc/94/85/31/387948531.db2.gz QHEJUOSMWYLQDF-HIFRSBDPSA-N 2 0 247.386 1.910 20 0 BDADRP COC(=O)CC1CC([NH2+]CCCC[NH+](C)C)C1 ZINC000424269872 387949342 /nfs/dbraw/zinc/94/93/42/387949342.db2.gz MYFJFDAKPQELJI-UHFFFAOYSA-N 2 0 242.363 1.260 20 0 BDADRP CCOCC[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424298322 387958780 /nfs/dbraw/zinc/95/87/80/387958780.db2.gz UKVMRTPIGNINGR-GFCCVEGCSA-N 2 0 226.364 1.487 20 0 BDADRP CC[NH+](CC)CCCN[C@@H]1CCCC[C@H]1[NH3+] ZINC000424299759 387960803 /nfs/dbraw/zinc/96/08/03/387960803.db2.gz VQPYATKAGUEORL-CHWSQXEVSA-N 2 0 227.396 1.578 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@@H](CO)C1)[C@@H]1CCC[NH2+]1 ZINC000423188024 387972105 /nfs/dbraw/zinc/97/21/05/387972105.db2.gz PXMQFUQJIJENSZ-RNJOBUHISA-N 2 0 226.364 1.268 20 0 BDADRP C[C@H]1CCC[C@H]([NH+]2CCC(NCC[NH3+])CC2)C1 ZINC000423175213 387961330 /nfs/dbraw/zinc/96/13/30/387961330.db2.gz DKTHSXAZPKUWQE-JSGCOSHPSA-N 2 0 239.407 1.578 20 0 BDADRP C[NH+](C)C[C@@H]1CCN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000245577761 387961669 /nfs/dbraw/zinc/96/16/69/387961669.db2.gz BJZWGFXSYLGRSE-KBPBESRZSA-N 2 0 239.407 1.354 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)[C@H](C)O1 ZINC000423178252 387963358 /nfs/dbraw/zinc/96/33/58/387963358.db2.gz IFODFJFSKHUZAQ-MEBFFEOJSA-N 2 0 240.391 1.778 20 0 BDADRP CCOC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH2+]CC1 ZINC000423178714 387963949 /nfs/dbraw/zinc/96/39/49/387963949.db2.gz GLSIEARRKQVNDS-YPMHNXCESA-N 2 0 226.364 1.533 20 0 BDADRP COc1ccc(C[C@@H](C)[NH2+]C2CC[NH2+]CC2)cn1 ZINC000423178054 387965044 /nfs/dbraw/zinc/96/50/44/387965044.db2.gz FOWUQJSEAFKRPM-LLVKDONJSA-N 2 0 249.358 1.363 20 0 BDADRP COCC[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000156381202 387965974 /nfs/dbraw/zinc/96/59/74/387965974.db2.gz AHOBAXOKOZCBLC-LBPRGKRZSA-N 2 0 222.288 1.181 20 0 BDADRP C[C@H]([NH2+]CC1([NH3+])CCCCC1)[C@@H]1CCCO1 ZINC000423181284 387967291 /nfs/dbraw/zinc/96/72/91/387967291.db2.gz OQDPSUPPYYXJLU-RYUDHWBXSA-N 2 0 226.364 1.805 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NCC1([NH3+])CCCCC1 ZINC000423185030 387969257 /nfs/dbraw/zinc/96/92/57/387969257.db2.gz UNQSFPROBHBSKE-WDEREUQCSA-N 2 0 213.369 1.363 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CC1([NH3+])CCCCC1 ZINC000423185038 387969539 /nfs/dbraw/zinc/96/95/39/387969539.db2.gz UPCHIASPHYBSAI-LLVKDONJSA-N 3 0 213.369 1.365 20 0 BDADRP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCC[NH3+] ZINC000423197227 387981234 /nfs/dbraw/zinc/98/12/34/387981234.db2.gz YMGROEXRIOAHKP-NOZJJQNGSA-N 2 0 222.307 1.997 20 0 BDADRP C[C@H](NCC1([NH3+])CCCCC1)c1c[nH+]ccc1N ZINC000423188976 387972875 /nfs/dbraw/zinc/97/28/75/387972875.db2.gz ZZSSKZCORQHOTL-NSHDSACASA-N 2 0 248.374 1.806 20 0 BDADRP CC(C)[C@@H](Cn1cccn1)[NH2+]C1CC[NH2+]CC1 ZINC000423189243 387974629 /nfs/dbraw/zinc/97/46/29/387974629.db2.gz QRDTYMBRQQWYCQ-CYBMUJFWSA-N 2 0 236.363 1.249 20 0 BDADRP C1CC2(C1)[C@@H]1OCC[C@@H]1[C@@H]2[NH2+]C1CC[NH2+]CC1 ZINC000423190460 387975698 /nfs/dbraw/zinc/97/56/98/387975698.db2.gz SISMTPXGYQFRGM-FRRDWIJNSA-N 2 0 236.359 1.286 20 0 BDADRP COc1ncc([C@@H](C)[NH2+]CCC[NH3+])cc1Cl ZINC000423190748 387976211 /nfs/dbraw/zinc/97/62/11/387976211.db2.gz OCQKZKIYMPADSR-MRVPVSSYSA-N 2 0 243.738 1.743 20 0 BDADRP C[C@H]([NH2+]CCC[NH3+])c1ccccc1-n1ccnn1 ZINC000423191147 387976441 /nfs/dbraw/zinc/97/64/41/387976441.db2.gz OLOBUCRRGHGXSH-NSHDSACASA-N 2 0 245.330 1.267 20 0 BDADRP CCN(CC)CC[NH2+][C@@H](C)Cc1cnccn1 ZINC000453061184 387977137 /nfs/dbraw/zinc/97/71/37/387977137.db2.gz SETQLXKHDQNXEW-LBPRGKRZSA-N 2 0 236.363 1.339 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000423202251 387987638 /nfs/dbraw/zinc/98/76/38/387987638.db2.gz QLBJZNBLAIEPCB-BFHYXJOUSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@H]1C[C@H](C[NH2+][C@@H]2CCCC[C@H]2[NH3+])CC[NH2+]1 ZINC000424362813 387990594 /nfs/dbraw/zinc/99/05/94/387990594.db2.gz AZSMRDQOSIHXBI-UMSGYPCISA-N 3 0 225.380 1.234 20 0 BDADRP CCC[C@H](C)[C@@H](CC)[NH2+]CCN1CC[NH2+]CC1 ZINC000423204811 387990710 /nfs/dbraw/zinc/99/07/10/387990710.db2.gz OPYQFESKSUCNFL-UONOGXRCSA-N 2 0 241.423 1.696 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@@H]1C ZINC000423205012 387991321 /nfs/dbraw/zinc/99/13/21/387991321.db2.gz VAXQFKLIUXATQX-QJPTWQEYSA-N 2 0 242.363 1.163 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000423207670 387993759 /nfs/dbraw/zinc/99/37/59/387993759.db2.gz YBQUCFOCKPCBAX-TUAOUCFPSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCC[NH3+] ZINC000423197228 387982275 /nfs/dbraw/zinc/98/22/75/387982275.db2.gz YMGROEXRIOAHKP-RNCFNFMXSA-N 2 0 222.307 1.997 20 0 BDADRP [NH3+]CC1CCC([NH2+]CCOCC2CCC2)CC1 ZINC000643481303 387983288 /nfs/dbraw/zinc/98/32/88/387983288.db2.gz KLAGTZVOKWLSER-UHFFFAOYSA-N 2 0 240.391 1.910 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000423199563 387985317 /nfs/dbraw/zinc/98/53/17/387985317.db2.gz KBXHHHAYSNJZHC-NSHDSACASA-N 2 0 222.332 1.439 20 0 BDADRP CCC[C@@H]([NH2+]CCN1CC[NH2+]CC1)C1CCC1 ZINC000423200419 387985617 /nfs/dbraw/zinc/98/56/17/387985617.db2.gz FMNIDYHXZYKZFF-CQSZACIVSA-N 2 0 239.407 1.450 20 0 BDADRP C1C[C@@H]([NH2+][C@H]2CCC[C@H]([C@@H]3CCOC3)C2)C[NH2+]1 ZINC000423214183 387997392 /nfs/dbraw/zinc/99/73/92/387997392.db2.gz MGHJNHAPLLYXMD-RFQIPJPRSA-N 2 0 238.375 1.533 20 0 BDADRP CC[N@H+]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)C1 ZINC000423216104 387998306 /nfs/dbraw/zinc/99/83/06/387998306.db2.gz PLCPOCSXHZXXPX-MWWBDVBNSA-N 2 0 237.391 1.199 20 0 BDADRP c1cnn(CC[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420405892 387999889 /nfs/dbraw/zinc/99/98/89/387999889.db2.gz UESZNRORZXTEIS-KBPBESRZSA-N 2 0 248.374 1.347 20 0 BDADRP CC[C@@H]([NH2+]C1CCC([NH3+])CC1)c1cnn(C)c1 ZINC000423221171 388002445 /nfs/dbraw/zinc/00/24/45/388002445.db2.gz WMNNICQJMZHSPM-WXRRBKDZSA-N 2 0 236.363 1.731 20 0 BDADRP C[C@@H](NC[C@H]([NH3+])c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423241590 388024043 /nfs/dbraw/zinc/02/40/43/388024043.db2.gz DHXWAKYHQVPOKZ-XBFCOCLRSA-N 2 0 233.359 1.417 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000423226796 388011828 /nfs/dbraw/zinc/01/18/28/388011828.db2.gz SIKZQYCGIOSGNF-QWRGUYRKSA-N 2 0 222.332 1.567 20 0 BDADRP C[NH2+]CCN[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000423228077 388013825 /nfs/dbraw/zinc/01/38/25/388013825.db2.gz YCCAZDZJTJOUQN-UKRRQHHQSA-N 2 0 247.386 1.458 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000423228407 388013846 /nfs/dbraw/zinc/01/38/46/388013846.db2.gz ZLZHICYQMQXHPZ-XDQVBPFNSA-N 2 0 240.391 1.909 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423254472 388034859 /nfs/dbraw/zinc/03/48/59/388034859.db2.gz YDEJNGAPSJMDOV-RDBSUJKOSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(F)cn1 ZINC000423254052 388035649 /nfs/dbraw/zinc/03/56/49/388035649.db2.gz WWZGUARRXDEGEE-MNOVXSKESA-N 2 0 237.322 1.871 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+]C1CCC(COC)CC1 ZINC000423256566 388036386 /nfs/dbraw/zinc/03/63/86/388036386.db2.gz CAFMQCANKRPKPH-HIFPTAJRSA-N 2 0 228.380 1.637 20 0 BDADRP [NH3+][C@H](CN[C@@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000423254825 388036822 /nfs/dbraw/zinc/03/68/22/388036822.db2.gz ZPQPPKLTCIMIQG-YNEHKIRRSA-N 2 0 219.332 1.156 20 0 BDADRP COC[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)C(C)C ZINC000423257551 388038409 /nfs/dbraw/zinc/03/84/09/388038409.db2.gz JZYBTALMGZCOKG-CHWSQXEVSA-N 2 0 228.380 1.637 20 0 BDADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000423264505 388041449 /nfs/dbraw/zinc/04/14/49/388041449.db2.gz CCTAQHSRTPSENB-ZIAGYGMSSA-N 2 0 248.370 1.953 20 0 BDADRP C[NH2+]C[C@H](C)CN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000423266135 388043618 /nfs/dbraw/zinc/04/36/18/388043618.db2.gz CWVURPARESZDEN-ZDEQEGDKSA-N 2 0 227.396 1.160 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1CCCCN1CCO)C1CC1 ZINC000453273798 388029681 /nfs/dbraw/zinc/02/96/81/388029681.db2.gz VZSDINAAWOPNPA-KBPBESRZSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NC[C@H]([NH3+])c1ccccc1 ZINC000423246474 388030172 /nfs/dbraw/zinc/03/01/72/388030172.db2.gz KCVFCUZBPNBVKW-LOWVWBTDSA-N 2 0 221.348 1.402 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1CCCCN1CCO)C1CC1 ZINC000453273799 388030274 /nfs/dbraw/zinc/03/02/74/388030274.db2.gz VZSDINAAWOPNPA-KGLIPLIRSA-N 2 0 240.391 1.611 20 0 BDADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423246077 388030577 /nfs/dbraw/zinc/03/05/77/388030577.db2.gz JUTOYESRUYJVSJ-YPMHNXCESA-N 2 0 248.374 1.387 20 0 BDADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000423273367 388052640 /nfs/dbraw/zinc/05/26/40/388052640.db2.gz KLKBNLSEOJITEF-LPWJVIDDSA-N 2 0 240.391 1.763 20 0 BDADRP CC[C@H](NC[C@@H](C)C[NH2+]C)[C@@H]1CCCC[NH2+]1 ZINC000423272896 388052686 /nfs/dbraw/zinc/05/26/86/388052686.db2.gz KFRAHJJCMQTLBK-AVGNSLFASA-N 2 0 227.396 1.352 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])[C@H]1CCOC1 ZINC000423274440 388055037 /nfs/dbraw/zinc/05/50/37/388055037.db2.gz KMUFSTWRWLPBDQ-ZOBORPQBSA-N 2 0 240.391 1.909 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000423274330 388055762 /nfs/dbraw/zinc/05/57/62/388055762.db2.gz LZDJEPAWLZLVJC-RVMXOQNASA-N 2 0 240.391 1.635 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423283586 388064848 /nfs/dbraw/zinc/06/48/48/388064848.db2.gz XLYHTBDGYYEJKO-HZSPNIEDSA-N 3 0 239.407 1.354 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423282263 388065377 /nfs/dbraw/zinc/06/53/77/388065377.db2.gz VRNQCYXQEQWGOZ-QJPTWQEYSA-N 2 0 213.369 1.090 20 0 BDADRP Cc1nccnc1[C@H](C)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423283971 388067631 /nfs/dbraw/zinc/06/76/31/388067631.db2.gz XVHZPHKGOZLECD-AAEUAGOBSA-N 2 0 248.374 1.825 20 0 BDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCOCC1CCCC1 ZINC000453389727 388068010 /nfs/dbraw/zinc/06/80/10/388068010.db2.gz GKNGIVLROSLHRB-OCCSQVGLSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423284247 388067952 /nfs/dbraw/zinc/06/79/52/388067952.db2.gz WTVBCWRFRZDVIV-IJLUTSLNSA-N 3 0 213.369 1.221 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@H]1CCCC[C@H]1C[NH3+] ZINC000423285427 388068233 /nfs/dbraw/zinc/06/82/33/388068233.db2.gz ZHHUVSSEECRWGD-TUAOUCFPSA-N 2 0 213.369 1.077 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000423284821 388069093 /nfs/dbraw/zinc/06/90/93/388069093.db2.gz YQGOBICJZMKQDW-DMDPSCGWSA-N 2 0 225.380 1.185 20 0 BDADRP C[N@@H+]1CC[C@H](NCC(C)(C)[NH3+])[C@@H]2CCC[C@H]21 ZINC000423288325 388072911 /nfs/dbraw/zinc/07/29/11/388072911.db2.gz RSACQJYUWHLNON-SDDRHHMPSA-N 2 0 225.380 1.186 20 0 BDADRP CCC([NH3+])(CC)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000423290894 388074024 /nfs/dbraw/zinc/07/40/24/388074024.db2.gz FVSRXADLYVVTNE-NSHDSACASA-N 3 0 215.385 1.611 20 0 BDADRP CCC([NH3+])(CC)CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000423289311 388074588 /nfs/dbraw/zinc/07/45/88/388074588.db2.gz WSRQWNIIGYFKDW-JHJVBQTASA-N 2 0 241.423 1.822 20 0 BDADRP C[C@H]([NH3+])c1ccc(CN[C@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000423290920 388074634 /nfs/dbraw/zinc/07/46/34/388074634.db2.gz FYBOAPPQUHXYCF-XUJVJEKNSA-N 2 0 247.386 1.794 20 0 BDADRP CC[C@H]([NH2+]CC([NH3+])(CC)CC)[C@@H]1CCOC1 ZINC000423290002 388075014 /nfs/dbraw/zinc/07/50/14/388075014.db2.gz YYVWLSHODZZLML-NEPJUHHUSA-N 2 0 228.380 1.909 20 0 BDADRP CCC([NH3+])(CC)CN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000423294588 388077409 /nfs/dbraw/zinc/07/74/09/388077409.db2.gz UXGTZVBWTQZYRM-NWDGAFQWSA-N 2 0 227.396 1.611 20 0 BDADRP C(C[N@@H+]1CCO[C@H]2CCC[C@H]21)[C@@H]1CC[NH2+]C1 ZINC000084385517 388077897 /nfs/dbraw/zinc/07/78/97/388077897.db2.gz HVSZJRVVXBQCTK-XQQFMLRXSA-N 2 0 224.348 1.239 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)CCC[NH3+])cc1 ZINC000423296358 388078965 /nfs/dbraw/zinc/07/89/65/388078965.db2.gz YXVVXVXIQLPXDV-VXGBXAGGSA-N 3 0 235.375 1.923 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423297761 388079780 /nfs/dbraw/zinc/07/97/80/388079780.db2.gz LTQRGNRWVHPCQS-TUAOUCFPSA-N 2 0 213.369 1.234 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453419318 388079933 /nfs/dbraw/zinc/07/99/33/388079933.db2.gz YSEQYSZMHVSOKA-OCCSQVGLSA-N 2 0 240.391 1.875 20 0 BDADRP CCCC[C@H](CN)[NH2+][C@@H](C)CCC[NH3+] ZINC000423297861 388080103 /nfs/dbraw/zinc/08/01/03/388080103.db2.gz MECZRWXAKXKDRZ-WDEREUQCSA-N 2 0 201.358 1.221 20 0 BDADRP C[NH+](C)CCOCC[NH2+][C@H]1CCC[C@H]1C1CC1 ZINC000447595101 388080987 /nfs/dbraw/zinc/08/09/87/388080987.db2.gz LCMUAFHEVNDSEK-KBPBESRZSA-N 2 0 240.391 1.733 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCSC2)C1 ZINC000250572849 388177239 /nfs/dbraw/zinc/17/72/39/388177239.db2.gz FBGWNLBEMNYRJO-MNOVXSKESA-N 2 0 214.378 1.423 20 0 BDADRP C[C@H](C[NH2+]C[C@@H]1C[C@@H]1C)CN1CC[NH+](C)CC1 ZINC000488450666 388180686 /nfs/dbraw/zinc/18/06/86/388180686.db2.gz QXKBGBBMKCCJCD-RDBSUJKOSA-N 2 0 239.407 1.116 20 0 BDADRP C[NH+]1CCC2(CC1)C[N@H+](CCCCF)CCO2 ZINC000646106567 388143828 /nfs/dbraw/zinc/14/38/28/388143828.db2.gz AOCQWKAUBDJMHW-UHFFFAOYSA-N 2 0 244.354 1.533 20 0 BDADRP CCCC[N@H+](C)CCNC(=O)[C@@H](C)[NH2+]CCC ZINC000449119807 388145397 /nfs/dbraw/zinc/14/53/97/388145397.db2.gz BAKWNUGKCYPQEK-GFCCVEGCSA-N 2 0 243.395 1.223 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000449138672 388147385 /nfs/dbraw/zinc/14/73/85/388147385.db2.gz ISHHXUXEHWZSTA-VXGBXAGGSA-N 2 0 243.395 1.206 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H](C)[NH2+]CCC ZINC000449145366 388148488 /nfs/dbraw/zinc/14/84/88/388148488.db2.gz XLZRXCRRAXKCHP-MNOVXSKESA-N 2 0 229.368 1.008 20 0 BDADRP CCc1cc(N[C@H]2CCC[N@H+](C)[C@@H]2C)cc[nH+]1 ZINC000450437962 388256092 /nfs/dbraw/zinc/25/60/92/388256092.db2.gz LRWVUDYWTYHLBA-RISCZKNCSA-N 2 0 233.359 1.961 20 0 BDADRP OCCCN1CCC[C@H]1C[NH2+]C1CCCCC1 ZINC000449387872 388191053 /nfs/dbraw/zinc/19/10/53/388191053.db2.gz NGDJKFXTRLBYLT-AWEZNQCLSA-N 2 0 240.391 1.756 20 0 BDADRP Cc1nccn1CCC[N@H+]1CC[C@H](CO)[C@H]1C ZINC000488744831 388193023 /nfs/dbraw/zinc/19/30/23/388193023.db2.gz CUMMGRMFUYBPCT-DGCLKSJQSA-N 2 0 237.347 1.284 20 0 BDADRP CCC[C@@H]([NH3+])C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000489468822 388217359 /nfs/dbraw/zinc/21/73/59/388217359.db2.gz JIIQQCIQMBNPBF-GXFFZTMASA-N 2 0 249.358 1.450 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000449534499 388226180 /nfs/dbraw/zinc/22/61/80/388226180.db2.gz MGLZTPHZILEVOP-VXGBXAGGSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@H]1CN(C)C[C@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000449578482 388236869 /nfs/dbraw/zinc/23/68/69/388236869.db2.gz MWZXCTLPIRUPOF-LOWDOPEQSA-N 2 0 226.364 1.077 20 0 BDADRP CC[C@H]([NH3+])CNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000449600297 388239920 /nfs/dbraw/zinc/23/99/20/388239920.db2.gz NWDHFKNBSWUOSO-QJPTWQEYSA-N 2 0 241.379 1.138 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H]1COCC1(C)C ZINC000451813588 388297626 /nfs/dbraw/zinc/29/76/26/388297626.db2.gz RGAJWKZKVPSARJ-NWDGAFQWSA-N 2 0 226.364 1.485 20 0 BDADRP CC(C)[C@]1(C)C[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000397217744 388342733 /nfs/dbraw/zinc/34/27/33/388342733.db2.gz DDWHWIYCAJQPKU-MJBXVCDLSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000516580279 388355858 /nfs/dbraw/zinc/35/58/58/388355858.db2.gz FNOBWWPJRWKRQF-DGCLKSJQSA-N 3 0 225.380 1.188 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](O)C2CCC2)c2ccccc21 ZINC000315997613 388404950 /nfs/dbraw/zinc/40/49/50/388404950.db2.gz QDSIDPODUXGHTN-KFWWJZLASA-N 2 0 246.354 1.882 20 0 BDADRP COc1ccc([C@H](C)N[C@@H](C)C[NH3+])cc1 ZINC000234859348 388361658 /nfs/dbraw/zinc/36/16/58/388361658.db2.gz DULSQTVJHMXLLP-UWVGGRQHSA-N 2 0 208.305 1.693 20 0 BDADRP COc1cccc([C@H](C)N[C@H](C)C[NH3+])c1 ZINC000234884793 388361726 /nfs/dbraw/zinc/36/17/26/388361726.db2.gz DYKXDJFOQKTGHU-ZJUUUORDSA-N 2 0 208.305 1.693 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCCn2cccn2)C1 ZINC000163723304 388366115 /nfs/dbraw/zinc/36/61/15/388366115.db2.gz WKOXTYDTZYMVKW-RYUDHWBXSA-N 2 0 222.336 1.133 20 0 BDADRP C[C@H](CN)[NH2+][C@H](C)CCc1ccccc1 ZINC000235461434 388369087 /nfs/dbraw/zinc/36/90/87/388369087.db2.gz FCCJWOISZBUZSD-VXGBXAGGSA-N 2 0 206.333 1.945 20 0 BDADRP C[C@@]1(C[NH3+])CCN(Cc2cccnc2)C1 ZINC000235440214 388369190 /nfs/dbraw/zinc/36/91/90/388369190.db2.gz NETDMHOMXXSGKS-LBPRGKRZSA-N 2 0 205.305 1.252 20 0 BDADRP C[C@H](C[NH3+])NCc1ccc(Cl)c(F)c1 ZINC000235455250 388369353 /nfs/dbraw/zinc/36/93/53/388369353.db2.gz JTJORRNWXLFCTD-SSDOTTSWSA-N 2 0 216.687 1.916 20 0 BDADRP C[C@@H](CNCc1cnn2ccccc12)C[NH+](C)C ZINC000291687424 388376706 /nfs/dbraw/zinc/37/67/06/388376706.db2.gz IMGRGYOGYVZZOU-LBPRGKRZSA-N 2 0 246.358 1.622 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](O)C1CCC1 ZINC000316055818 388405887 /nfs/dbraw/zinc/40/58/87/388405887.db2.gz XUQXSFVZNQZEDY-RFHZTLPTSA-N 2 0 240.391 1.466 20 0 BDADRP CC[NH+](CC)CC(=O)NCC1([NH3+])CCCCC1 ZINC000236841863 388384505 /nfs/dbraw/zinc/38/45/05/388384505.db2.gz LYVNJJKYBMLZAK-UHFFFAOYSA-N 2 0 241.379 1.106 20 0 BDADRP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000236900766 388386104 /nfs/dbraw/zinc/38/61/04/388386104.db2.gz QGVUFAYQTURSRV-GXFFZTMASA-N 2 0 249.358 1.718 20 0 BDADRP CCC[NH+](CCC)CCCNC(=O)[C@@H]([NH3+])CC ZINC000236991619 388387151 /nfs/dbraw/zinc/38/71/51/388387151.db2.gz XOHZDXCUMKFMOX-LBPRGKRZSA-N 2 0 243.395 1.352 20 0 BDADRP CC1(C)C[NH2+][C@H]1C(=O)Nc1cccc(C[NH3+])c1 ZINC000646578681 388387205 /nfs/dbraw/zinc/38/72/05/388387205.db2.gz AUHCCJZWOAOTJB-NSHDSACASA-N 2 0 233.315 1.082 20 0 BDADRP CC[C@H]([NH3+])C(=O)Nc1ccccc1C[NH2+]C ZINC000236956248 388387304 /nfs/dbraw/zinc/38/73/04/388387304.db2.gz NNLQILMQVBJGQR-JTQLQIEISA-N 2 0 221.304 1.082 20 0 BDADRP C[NH2+]Cc1ccccc1NC(=O)[C@@H](C)C[NH2+]C ZINC000237069359 388388747 /nfs/dbraw/zinc/38/87/47/388388747.db2.gz WBCSRNIIADXMLQ-JTQLQIEISA-N 2 0 235.331 1.200 20 0 BDADRP CC(C)[NH2+]CCC(=O)Nc1ccc(C[NH3+])cc1 ZINC000520203813 256665281 /nfs/dbraw/zinc/66/52/81/256665281.db2.gz DDLZPGCFXZSLFJ-UHFFFAOYSA-N 2 0 235.331 1.472 20 0 BDADRP CCCCCNC(=O)CN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000573016071 388406412 /nfs/dbraw/zinc/40/64/12/388406412.db2.gz GZRLRKWFRNWNIZ-NWDGAFQWSA-N 2 0 241.379 1.104 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000300965006 388395799 /nfs/dbraw/zinc/39/57/99/388395799.db2.gz PYNJJRIFSKPJHT-NXEZZACHSA-N 2 0 218.291 1.702 20 0 BDADRP CC(C)[NH2+]CC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000520612806 256676489 /nfs/dbraw/zinc/67/64/89/256676489.db2.gz VGFYAFFLCUAXPK-GFCCVEGCSA-N 2 0 241.379 1.008 20 0 BDADRP C[N@H+](CC1CC[NH+](C)CC1)CC1(F)CC1 ZINC000525977936 388441416 /nfs/dbraw/zinc/44/14/16/388441416.db2.gz KYTHBDKFTXXUDP-UHFFFAOYSA-N 2 0 214.328 1.762 20 0 BDADRP Cc1nn(C)cc1C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000335348354 388450257 /nfs/dbraw/zinc/45/02/57/388450257.db2.gz HFVFUFLJRWJODQ-ZWNOBZJWSA-N 2 0 236.363 1.145 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CC2=CC[NH+](C)CC2)CC[N@@H+]1C ZINC000335771562 388454262 /nfs/dbraw/zinc/45/42/62/388454262.db2.gz HZGWWEOKHZFDLY-JSGCOSHPSA-N 3 0 237.391 1.321 20 0 BDADRP CC(C)CCOCC[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000405315206 388458848 /nfs/dbraw/zinc/45/88/48/388458848.db2.gz OYJSJGZANMMTTF-VXGBXAGGSA-N 2 0 228.380 1.765 20 0 BDADRP C[C@H](C[NH2+]C1CCSCC1)C[NH+](C)C ZINC000336686640 388462413 /nfs/dbraw/zinc/46/24/13/388462413.db2.gz LOMSTFCJJIPKGF-SNVBAGLBSA-N 2 0 216.394 1.669 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](Cc2ccccn2)C[C@H]1C[NH3+] ZINC000397405814 388467175 /nfs/dbraw/zinc/46/71/75/388467175.db2.gz SZQDZOOSZMHUPF-FRRDWIJNSA-N 2 0 233.359 1.887 20 0 BDADRP C[C@H](CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)C[NH+](C)C ZINC000336722153 388469336 /nfs/dbraw/zinc/46/93/36/388469336.db2.gz STRKIVJOUIRNCD-AAVRWANBSA-N 3 0 241.423 1.502 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C2CCC2)CC[N@@H+]1C ZINC000316335374 388410487 /nfs/dbraw/zinc/41/04/87/388410487.db2.gz GWFZXTGRIIWQPO-RTXFEEFZSA-N 2 0 226.364 1.220 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000573220755 388432675 /nfs/dbraw/zinc/43/26/75/388432675.db2.gz LUEZOKOCZYDSBZ-IRCOFANPSA-N 2 0 214.353 1.253 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@@](C)(CC)OC)CC1 ZINC000322508267 388436749 /nfs/dbraw/zinc/43/67/49/388436749.db2.gz IDZJDFLROOWJAK-CYBMUJFWSA-N 2 0 228.380 1.875 20 0 BDADRP C[C@@H]([NH3+])CC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000646805967 388538330 /nfs/dbraw/zinc/53/83/30/388538330.db2.gz SMLWIAPYGCQSBT-NXEZZACHSA-N 2 0 235.331 1.060 20 0 BDADRP C[C@H](Cc1cnn(C)c1)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000517177114 388540900 /nfs/dbraw/zinc/54/09/00/388540900.db2.gz WDDIIHURZIEMNI-RAIGVLPGSA-N 2 0 236.363 1.211 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC000340490148 388492067 /nfs/dbraw/zinc/49/20/67/388492067.db2.gz LTZNQJHHCMTYQG-CYZMBNFOSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCC1([NH+](C)C)CC1 ZINC000397802282 388499987 /nfs/dbraw/zinc/49/99/87/388499987.db2.gz CWPXIRJMHNUOLI-AGIUHOORSA-N 2 0 239.407 1.399 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2CC[NH2+][C@@H]2C)cc1 ZINC000516634156 256799202 /nfs/dbraw/zinc/79/92/02/256799202.db2.gz AFMQNFCVTGOVPP-OPQQBVKSSA-N 2 0 247.342 1.643 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+]C[C@H]2CCC[NH2+]C2)O1 ZINC000398025402 388514681 /nfs/dbraw/zinc/51/46/81/388514681.db2.gz AEOOEKWGGWYMHC-WOPDTQHZSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H](CSCC1CC[NH2+]CC1)[NH+](C)C ZINC000516766447 388515674 /nfs/dbraw/zinc/51/56/74/388515674.db2.gz KJXVHCWOZVIVGI-SNVBAGLBSA-N 2 0 216.394 1.669 20 0 BDADRP COCCN1CC[C@H]([NH2+][C@H](C)CCC2CC2)C1 ZINC000346547372 388520233 /nfs/dbraw/zinc/52/02/33/388520233.db2.gz ANKXQZGEIFVCEE-OCCSQVGLSA-N 2 0 240.391 1.875 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@H](CO)C(C)C)CC1 ZINC000348298858 388527681 /nfs/dbraw/zinc/52/76/81/388527681.db2.gz DQTSGOZVRQABDU-CYBMUJFWSA-N 2 0 242.407 1.715 20 0 BDADRP C(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)OCC1CC1 ZINC000517937499 388598814 /nfs/dbraw/zinc/59/88/14/388598814.db2.gz UXEHLXNSAYBPDH-CQSZACIVSA-N 2 0 238.375 1.489 20 0 BDADRP C/C=C/C[C@@H](CO)[NH2+]C1CC[NH+](CCC)CC1 ZINC000186500216 388600508 /nfs/dbraw/zinc/60/05/08/388600508.db2.gz XZBALQYXSSJIIY-KQIUPUNMSA-N 2 0 240.391 1.778 20 0 BDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C1CCCC1 ZINC000186600869 256865984 /nfs/dbraw/zinc/86/59/84/256865984.db2.gz DBBZCETXSPMNBE-CYBMUJFWSA-N 2 0 239.407 1.545 20 0 BDADRP CO[C@](C)(C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)C1CC1 ZINC000361011335 388559636 /nfs/dbraw/zinc/55/96/36/388559636.db2.gz SGRQKKLHZZYGFD-MRVWCRGKSA-N 2 0 240.391 1.731 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2[C@H]3COC[C@H]32)CC1 ZINC000367683061 388566431 /nfs/dbraw/zinc/56/64/31/388566431.db2.gz BZSIXBJAMWDINJ-ZSOGYDGISA-N 2 0 238.375 1.341 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H]2CCCCO2)C1 ZINC000245452660 388580071 /nfs/dbraw/zinc/58/00/71/388580071.db2.gz QONSYUWEQSGOGJ-ZIAGYGMSSA-N 2 0 240.391 1.829 20 0 BDADRP C[N@H+](C[C@H]1CCSC1)CC(C)(C)C[NH3+] ZINC000224618865 388666887 /nfs/dbraw/zinc/66/68/87/388666887.db2.gz MENHPUONKRSVCK-SNVBAGLBSA-N 2 0 216.394 1.656 20 0 BDADRP [NH3+]CCC1CC[NH+](C[C@H]2CCSC2)CC1 ZINC000224614261 388667211 /nfs/dbraw/zinc/66/72/11/388667211.db2.gz MCLHJECIRDUOKD-GFCCVEGCSA-N 2 0 228.405 1.800 20 0 BDADRP COC[C@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247690090 388668586 /nfs/dbraw/zinc/66/85/86/388668586.db2.gz VTMUJJHESIKAFA-RYUDHWBXSA-N 2 0 214.353 1.295 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C=C[C@H](CO)C2)[C@@H](C)C1 ZINC000247767324 388669392 /nfs/dbraw/zinc/66/93/92/388669392.db2.gz SUIYHDNQDAJEAX-FQUUOJAGSA-N 2 0 238.375 1.243 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@](C)(O)C1 ZINC000191818597 388670116 /nfs/dbraw/zinc/67/01/16/388670116.db2.gz GGYAGSWQCKNPMR-ZDUSSCGKSA-N 2 0 228.380 1.565 20 0 BDADRP CC[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000248013268 388672106 /nfs/dbraw/zinc/67/21/06/388672106.db2.gz LMBQXJKJYOZTOX-STQMWFEESA-N 2 0 228.380 1.611 20 0 BDADRP C1CC2(C1)[NH2+]CC[C@H]2N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000530177842 388621494 /nfs/dbraw/zinc/62/14/94/388621494.db2.gz IMDZYZDLDBLVCJ-MGPQQGTHSA-N 2 0 249.402 1.487 20 0 BDADRP CC[NH+]1CCC(N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000530179115 388622206 /nfs/dbraw/zinc/62/22/06/388622206.db2.gz TXTGKQXVEKSTBK-ZDUSSCGKSA-N 2 0 237.391 1.345 20 0 BDADRP CCC[C@H](C[NH2+][C@H]1CCC[C@@H]1[NH3+])OCC ZINC000530206721 388626490 /nfs/dbraw/zinc/62/64/90/388626490.db2.gz BJJQZHYRYXOYSC-WOPDTQHZSA-N 2 0 214.353 1.661 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC000530209241 388628211 /nfs/dbraw/zinc/62/82/11/388628211.db2.gz INLDJZCHGRYNTQ-LLVKDONJSA-N 2 0 210.365 1.964 20 0 BDADRP C[C@H](N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1CCCC[NH2+]1 ZINC000530215800 388629097 /nfs/dbraw/zinc/62/90/97/388629097.db2.gz JDJGARITWZBXJK-RWMBFGLXSA-N 2 0 237.391 1.391 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000530217270 388630132 /nfs/dbraw/zinc/63/01/32/388630132.db2.gz SKNQDARMDPSFMA-RWMBFGLXSA-N 2 0 237.391 1.378 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)C1CCOCC1 ZINC000530221197 388632685 /nfs/dbraw/zinc/63/26/85/388632685.db2.gz OTNAFIFMJNTGMF-WCQYABFASA-N 2 0 238.375 1.676 20 0 BDADRP COc1ccc(CC[NH2+][C@H]2CCC[NH2+]CC2)cn1 ZINC000530223999 388634090 /nfs/dbraw/zinc/63/40/90/388634090.db2.gz VCIBWZLBRPQGKK-ZDUSSCGKSA-N 2 0 249.358 1.364 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000530226636 388635624 /nfs/dbraw/zinc/63/56/24/388635624.db2.gz SXNMLDXKVVEJHN-GCHJQGSQSA-N 2 0 214.353 1.515 20 0 BDADRP COC[C@H](C)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530245357 388638733 /nfs/dbraw/zinc/63/87/33/388638733.db2.gz WOQSXJGNZPETJE-GHMZBOCLSA-N 2 0 212.337 1.143 20 0 BDADRP Cc1ncccc1C[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000530243945 388639038 /nfs/dbraw/zinc/63/90/38/388639038.db2.gz IXKDDERJZFHGOT-YPMHNXCESA-N 2 0 233.359 1.868 20 0 BDADRP CC[N@H+](C)CCN[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000247044220 388657483 /nfs/dbraw/zinc/65/74/83/388657483.db2.gz OJCBEEGCSPXYIX-STQMWFEESA-N 2 0 227.396 1.258 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)CCO)[C@@H](C)C1 ZINC000247113267 388658799 /nfs/dbraw/zinc/65/87/99/388658799.db2.gz PHDOKFSHFSXMJX-STQMWFEESA-N 2 0 242.407 1.715 20 0 BDADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CCOC)C1 ZINC000247097059 388659173 /nfs/dbraw/zinc/65/91/73/388659173.db2.gz PUFMRCOLNBXLQX-OLZOCXBDSA-N 2 0 228.380 1.733 20 0 BDADRP CC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000124404001 388662562 /nfs/dbraw/zinc/66/25/62/388662562.db2.gz NCFAYMQSUVPCPF-RFQIPJPRSA-N 2 0 240.391 1.658 20 0 BDADRP CCN1CCC[C@H]([NH2+]CC2=CCCOC2)C1 ZINC000124660933 388663995 /nfs/dbraw/zinc/66/39/95/388663995.db2.gz OFCFRACBSLADTI-ZDUSSCGKSA-N 2 0 224.348 1.407 20 0 BDADRP C[C@@H](CO)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227536223 388752500 /nfs/dbraw/zinc/75/25/00/388752500.db2.gz UHWHQDPSACDLKS-XXILOJSOSA-N 2 0 206.289 1.102 20 0 BDADRP C[C@@H]1CCC[NH+]1CC(O)C[N@H+]1CCC[C@H]1C ZINC000248745538 388692217 /nfs/dbraw/zinc/69/22/17/388692217.db2.gz RPWWCEZVRSEMQO-VXGBXAGGSA-N 2 0 226.364 1.316 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](CC[C@H]2CCCO2)C1 ZINC000249489796 388723608 /nfs/dbraw/zinc/72/36/08/388723608.db2.gz VBVHIQYDJUAVFV-ZIAGYGMSSA-N 2 0 240.391 1.829 20 0 BDADRP CSCCCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000229209188 388782812 /nfs/dbraw/zinc/78/28/12/388782812.db2.gz LKTXRHXXOPQOJW-MNOVXSKESA-N 2 0 216.394 1.847 20 0 BDADRP CC(C)[C@@H](CNC(N)=[NH2+])[NH+]1CCCCCC1 ZINC000303254797 388855091 /nfs/dbraw/zinc/85/50/91/388855091.db2.gz FDHLNJYRQYJKPS-LLVKDONJSA-N 2 0 226.368 1.370 20 0 BDADRP C[C@H]1C[C@@H](NC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000093978071 388857163 /nfs/dbraw/zinc/85/71/63/388857163.db2.gz AHOYTSCOKMUKDO-AAEUAGOBSA-N 2 0 225.380 1.153 20 0 BDADRP CCO[C@H]1C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000564823327 388891281 /nfs/dbraw/zinc/89/12/81/388891281.db2.gz KDAMMPQACJVXFW-RTWBTXMESA-N 2 0 210.321 1.036 20 0 BDADRP CO[C@@H]1CC[C@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000564440435 388875663 /nfs/dbraw/zinc/87/56/63/388875663.db2.gz FHHOQZCXAZQGPQ-FVCCEPFGSA-N 2 0 226.364 1.532 20 0 BDADRP CCN(C)C[C@@H](O)C[N@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000565166870 388919872 /nfs/dbraw/zinc/91/98/72/388919872.db2.gz VCGGDYGMGRQQPC-CHWSQXEVSA-N 2 0 242.407 1.810 20 0 BDADRP CCN(C)C[C@H](O)C[N@H+](C)[C@H]1CCC(C)(C)C1 ZINC000565166873 388920092 /nfs/dbraw/zinc/92/00/92/388920092.db2.gz VCGGDYGMGRQQPC-STQMWFEESA-N 2 0 242.407 1.810 20 0 BDADRP C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000565298923 388936676 /nfs/dbraw/zinc/93/66/76/388936676.db2.gz CYQHJVUFYBGEQS-DTWKUNHWSA-N 2 0 221.304 1.067 20 0 BDADRP CC(C)[C@H](O)C(C)(C)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000565227243 388929304 /nfs/dbraw/zinc/92/93/04/388929304.db2.gz WWUUZMURQUTUOO-AGIUHOORSA-N 2 0 242.407 1.889 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]C[C@@H]2CCC[NH2+]C2)C1 ZINC000564971285 388904298 /nfs/dbraw/zinc/90/42/98/388904298.db2.gz UMWGVPBIDYGDCH-YNEHKIRRSA-N 3 0 225.380 1.093 20 0 BDADRP CC[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000565718151 388966287 /nfs/dbraw/zinc/96/62/87/388966287.db2.gz HKONPHPLPALHIG-IJLUTSLNSA-N 2 0 241.379 1.055 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@@H](C)CCc1ccco1 ZINC000565945506 388980489 /nfs/dbraw/zinc/98/04/89/388980489.db2.gz NMPISQNLJQTVQW-WDEREUQCSA-N 2 0 210.321 1.928 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@H](C)CCc1ccco1 ZINC000565945504 388980763 /nfs/dbraw/zinc/98/07/63/388980763.db2.gz NMPISQNLJQTVQW-MNOVXSKESA-N 2 0 210.321 1.928 20 0 BDADRP CC1(C)CCCC[C@@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000565821635 388970733 /nfs/dbraw/zinc/97/07/33/388970733.db2.gz ROICKJGRNFTXHN-WHOHXGKFSA-N 2 0 208.349 1.763 20 0 BDADRP Cn1ccc(C[NH2+]CC2=CC[N@H+](C)CC2)c1 ZINC000271871595 389024842 /nfs/dbraw/zinc/02/48/42/389024842.db2.gz KMMDEQIJKBXISJ-UHFFFAOYSA-N 2 0 219.332 1.377 20 0 BDADRP CC[NH+]1CCC([NH2+]CCOCC(F)F)CC1 ZINC000231689138 535474614 /nfs/dbraw/zinc/47/46/14/535474614.db2.gz QRIKDWPLSRIDRZ-UHFFFAOYSA-N 2 0 236.306 1.342 20 0 BDADRP C[C@@H]([NH2+]CCC[C@H](C)CO)[C@@H]1CCC[NH2+]1 ZINC000400525578 533389510 /nfs/dbraw/zinc/38/95/10/533389510.db2.gz PZQXYSRMPNJULF-TUAOUCFPSA-N 2 0 214.353 1.125 20 0 BDADRP C([C@H]1CCSC1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257739684 533376349 /nfs/dbraw/zinc/37/63/49/533376349.db2.gz YQQCCEWKYYBERD-OLZOCXBDSA-N 2 0 240.416 1.815 20 0 BDADRP C([C@H]1CCSC1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261537687 533377908 /nfs/dbraw/zinc/37/79/08/533377908.db2.gz WDOVRKWXQRPASI-IJLUTSLNSA-N 2 0 226.389 1.281 20 0 BDADRP C([C@H]1CCSC1)[N@@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000261542327 533378040 /nfs/dbraw/zinc/37/80/40/533378040.db2.gz GRDVDMIIHKJDGS-UTUOFQBUSA-N 2 0 226.389 1.566 20 0 BDADRP C[C@@H](NCC[NH+]1CCC(C)CC1)[C@@H]1CCC[NH2+]1 ZINC000400764521 533393464 /nfs/dbraw/zinc/39/34/64/533393464.db2.gz YZOCQUYGBWYLQV-KGLIPLIRSA-N 2 0 239.407 1.448 20 0 BDADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000041680105 322836211 /nfs/dbraw/zinc/83/62/11/322836211.db2.gz FYDBLLLSVHWVDL-WOPDTQHZSA-N 2 0 243.395 1.206 20 0 BDADRP Cc1c[nH+]ccc1N1CCC[C@@H](CC[NH3+])C1 ZINC000070047692 132229864 /nfs/dbraw/zinc/22/98/64/132229864.db2.gz ZBQFUJUNWAPJOD-LBPRGKRZSA-N 2 0 219.332 1.955 20 0 BDADRP Cc1c[nH+]ccc1N1CCC([N@H+](C)CCO)CC1 ZINC000359469185 132276564 /nfs/dbraw/zinc/27/65/64/132276564.db2.gz AHAXHMDQGZXPFH-UHFFFAOYSA-N 2 0 249.358 1.283 20 0 BDADRP CC(C)(CO)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000036960345 132343328 /nfs/dbraw/zinc/34/33/28/132343328.db2.gz LGSFABBFONXOKJ-UHFFFAOYSA-N 2 0 249.358 1.411 20 0 BDADRP C[NH+](C)CC1CCN(c2cc[nH+]c(CO)c2)CC1 ZINC000042396177 132351175 /nfs/dbraw/zinc/35/11/75/132351175.db2.gz FOPJJSHORMFWLG-UHFFFAOYSA-N 2 0 249.358 1.352 20 0 BDADRP CCC[C@H](O)C[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000167554799 134010703 /nfs/dbraw/zinc/01/07/03/134010703.db2.gz XXCHPIHEZIFPIM-RWMBFGLXSA-N 2 0 228.380 1.467 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C2CCC(O)CC2)C1 ZINC000335942952 134018331 /nfs/dbraw/zinc/01/83/31/134018331.db2.gz UQJHZRCLMFYFMM-CEUNDQEZSA-N 2 0 240.391 1.752 20 0 BDADRP Cc1n[nH]cc1CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000335945966 134019816 /nfs/dbraw/zinc/01/98/16/134019816.db2.gz ANZBMQXDGZCGOT-AWEZNQCLSA-N 2 0 248.374 1.636 20 0 BDADRP CC(C)[NH+]1CCC(N[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000335951367 134021629 /nfs/dbraw/zinc/02/16/29/134021629.db2.gz SFBMIWNZMOVQEQ-TZMCWYRMSA-N 2 0 239.407 1.399 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccccc2N(C)C)CC[C@H]1[NH3+] ZINC000336054899 134065908 /nfs/dbraw/zinc/06/59/08/134065908.db2.gz RMCHNZWIAPFSJJ-TZMCWYRMSA-N 2 0 247.386 1.922 20 0 BDADRP CC[N@H+](CC[C@@H]1CCC[NH+]1C)C[C@@H](C)O ZINC000352203204 134102722 /nfs/dbraw/zinc/10/27/22/134102722.db2.gz PYECPSNHHZGBTR-NEPJUHHUSA-N 2 0 214.353 1.173 20 0 BDADRP CC[NH+](CC)CCCN[C@H]1CCC[NH2+]CC1 ZINC000168701789 134246551 /nfs/dbraw/zinc/24/65/51/134246551.db2.gz CKJSLPODJUYOHU-ZDUSSCGKSA-N 2 0 227.396 1.450 20 0 BDADRP CS[C@H](C)C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000169087163 134249238 /nfs/dbraw/zinc/24/92/38/134249238.db2.gz IGANERBFIMBAMH-NXEZZACHSA-N 2 0 202.367 1.470 20 0 BDADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)C1CCCC1 ZINC000219306829 134281523 /nfs/dbraw/zinc/28/15/23/134281523.db2.gz PKAOQSSOGPJMOC-GFCCVEGCSA-N 2 0 228.380 1.733 20 0 BDADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1cccnc1 ZINC000219304803 134281545 /nfs/dbraw/zinc/28/15/45/134281545.db2.gz PTVBSBNVUZWLRG-GFCCVEGCSA-N 2 0 237.347 1.310 20 0 BDADRP CC(C)n1cc(C[NH+]2CCC(C[NH3+])CC2)cn1 ZINC000219453855 134285261 /nfs/dbraw/zinc/28/52/61/134285261.db2.gz LORAXTMDTAAJRK-UHFFFAOYSA-N 2 0 236.363 1.635 20 0 BDADRP C[NH+]1CCC(C[NH2+]CC[C@H]2CCOC2)CC1 ZINC000220694703 134312247 /nfs/dbraw/zinc/31/22/47/134312247.db2.gz SZQMKARHWZQBGP-ZDUSSCGKSA-N 2 0 226.364 1.344 20 0 BDADRP C[C@@H](O)C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000178971669 134314225 /nfs/dbraw/zinc/31/42/25/134314225.db2.gz IKPBICZRPBAIEH-LLVKDONJSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000222534979 134332958 /nfs/dbraw/zinc/33/29/58/134332958.db2.gz BFEBXNJHRLCPOD-MELADBBJSA-N 2 0 240.391 1.611 20 0 BDADRP CCN(CC[NH2+][C@@H]1CCO[C@@H](C)C1)C1CC1 ZINC000223062656 134336404 /nfs/dbraw/zinc/33/64/04/134336404.db2.gz AZFGJUMWSNVKMU-NWDGAFQWSA-N 2 0 226.364 1.628 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCSC2)CC[N@@H+]1C ZINC000224451360 134347713 /nfs/dbraw/zinc/34/77/13/134347713.db2.gz VCDSWLSTSXNZJF-WOPDTQHZSA-N 2 0 228.405 1.812 20 0 BDADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCc1cnn(C)c1 ZINC000226430126 134365614 /nfs/dbraw/zinc/36/56/14/134365614.db2.gz SPJXNKUKVMFTED-ZDUSSCGKSA-N 2 0 238.379 1.268 20 0 BDADRP COC[C@@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000226431500 134365856 /nfs/dbraw/zinc/36/58/56/134365856.db2.gz UEANTOOXDPLGQA-GHMZBOCLSA-N 2 0 202.342 1.327 20 0 BDADRP CC(C)(CCCO)C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000227921473 134399661 /nfs/dbraw/zinc/39/96/61/134399661.db2.gz PCRZBOLIOBUEMB-VXGBXAGGSA-N 2 0 228.380 1.502 20 0 BDADRP CO[C@H](C)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000248389539 135001444 /nfs/dbraw/zinc/00/14/44/135001444.db2.gz SIUSUDKEISOSDJ-WOPDTQHZSA-N 2 0 212.337 1.238 20 0 BDADRP CO[C@H](C)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000248450019 135011571 /nfs/dbraw/zinc/01/15/71/135011571.db2.gz XVOSWJNALVZZBV-OLZOCXBDSA-N 2 0 226.364 1.439 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@@H](O)C2)[C@H](C)C1 ZINC000249042915 135030563 /nfs/dbraw/zinc/03/05/63/135030563.db2.gz HAAQTFBOXZUNJQ-SYQHCUMBSA-N 2 0 240.391 1.467 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000249052757 135031219 /nfs/dbraw/zinc/03/12/19/135031219.db2.gz XUXIEZKAWCCLOE-APYLGABCSA-N 2 0 240.391 1.608 20 0 BDADRP C[C@@H](O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000249727361 135044749 /nfs/dbraw/zinc/04/47/49/135044749.db2.gz QWCPPINYDBGYDO-VXGBXAGGSA-N 2 0 214.353 1.173 20 0 BDADRP COC[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000251080344 135062983 /nfs/dbraw/zinc/06/29/83/135062983.db2.gz HMSPJKQFWJVXSM-GRYCIOLGSA-N 2 0 214.353 1.376 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000251768581 135076562 /nfs/dbraw/zinc/07/65/62/135076562.db2.gz DXXHYVHQPTZEQI-IJLUTSLNSA-N 2 0 214.353 1.484 20 0 BDADRP C[C@H](Cn1ccnc1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251801135 135078176 /nfs/dbraw/zinc/07/81/76/135078176.db2.gz YKLGLHWILXGARU-MCIONIFRSA-N 2 0 248.374 1.488 20 0 BDADRP C[NH2+]CCCN1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000251847187 135078975 /nfs/dbraw/zinc/07/89/75/135078975.db2.gz RBPUKRBPGHCNQQ-OLZOCXBDSA-N 2 0 225.380 1.155 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCN3CCCC[C@@H]23)CCO1 ZINC000252160140 135086167 /nfs/dbraw/zinc/08/61/67/135086167.db2.gz PSNZWLHTSQLYNJ-MQYQWHSLSA-N 2 0 238.375 1.770 20 0 BDADRP C[C@@H]1C[C@@H](N[C@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1C ZINC000252212781 135086477 /nfs/dbraw/zinc/08/64/77/135086477.db2.gz YNPXCVUJEZCOCF-AGIUHOORSA-N 2 0 237.391 1.295 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)CCO1 ZINC000252190105 135086932 /nfs/dbraw/zinc/08/69/32/135086932.db2.gz UVFMYKFGSFMWDN-UPJWGTAASA-N 2 0 238.375 1.628 20 0 BDADRP C[C@H](CO)[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000086499952 135087334 /nfs/dbraw/zinc/08/73/34/135087334.db2.gz KUICJFAACWYWHP-FVCCEPFGSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@H]([NH3+])CC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000252433293 135088933 /nfs/dbraw/zinc/08/89/33/135088933.db2.gz KRBIYCWSKXRIRN-NWDGAFQWSA-N 2 0 241.379 1.104 20 0 BDADRP C[N@H+](CC[C@@H]1CCCO1)CC1CC[NH2+]CC1 ZINC000086702812 135094859 /nfs/dbraw/zinc/09/48/59/135094859.db2.gz QSHMIBQSVNTFDV-ZDUSSCGKSA-N 2 0 226.364 1.487 20 0 BDADRP C(C[N@@H+]1C[C@@H]2CCC[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000252705255 135098371 /nfs/dbraw/zinc/09/83/71/135098371.db2.gz PRCJHYAIXOXQMB-UPJWGTAASA-N 2 0 208.349 1.718 20 0 BDADRP CC[C@H](CCO)[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000252708653 135098406 /nfs/dbraw/zinc/09/84/06/135098406.db2.gz ASUCNIZRSZTFMQ-JHJVBQTASA-N 2 0 228.380 1.467 20 0 BDADRP CCCCOCC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000252709553 135099175 /nfs/dbraw/zinc/09/91/75/135099175.db2.gz DETZAPRDIPHGPT-OLZOCXBDSA-N 2 0 228.380 1.733 20 0 BDADRP CC(C)CC[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000257669396 135100684 /nfs/dbraw/zinc/10/06/84/135100684.db2.gz DIPONYSFWFQIJE-ZDUSSCGKSA-N 2 0 225.380 1.012 20 0 BDADRP Cc1nc(C[NH+]2CCC3(CC[NH2+]C3)CC2)oc1C ZINC000257682093 135101058 /nfs/dbraw/zinc/10/10/58/135101058.db2.gz LFSSBPMLZQCPAJ-UHFFFAOYSA-N 2 0 249.358 1.867 20 0 BDADRP C[NH+](C)CCC[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000086926951 135101803 /nfs/dbraw/zinc/10/18/03/135101803.db2.gz AXUOVZXGKKVGQP-NSHDSACASA-N 2 0 228.380 1.874 20 0 BDADRP CC(C)COCC[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000261534180 135108621 /nfs/dbraw/zinc/10/86/21/135108621.db2.gz ODQIBPBVVCZBJQ-CHWSQXEVSA-N 2 0 228.380 1.576 20 0 BDADRP CO[C@@H]1CC[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000261536796 135108974 /nfs/dbraw/zinc/10/89/74/135108974.db2.gz TTYPFEVWNZJQAJ-QJPTWQEYSA-N 2 0 212.337 1.286 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)[C@H]1CCCO1 ZINC000252789089 135109670 /nfs/dbraw/zinc/10/96/70/135109670.db2.gz RIVKJPUIJOZSRG-SDDRHHMPSA-N 2 0 212.337 1.286 20 0 BDADRP Cc1ncccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000261567841 135109734 /nfs/dbraw/zinc/10/97/34/135109734.db2.gz ITFFOCLJFVNHRC-SOUVJXGZSA-N 2 0 245.370 1.949 20 0 BDADRP C[C@@H]1SCC[N@H+](CC[C@H]2CC[NH2+]C2)[C@H]1C ZINC000253074157 135120204 /nfs/dbraw/zinc/12/02/04/135120204.db2.gz PKUOKWUKAAIKER-SDDRHHMPSA-N 2 0 228.405 1.812 20 0 BDADRP C([C@@H]1CCOC1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000257656231 135138437 /nfs/dbraw/zinc/13/84/37/135138437.db2.gz FIXAIPSXLUOUAO-LBPRGKRZSA-N 2 0 224.348 1.098 20 0 BDADRP Cc1n[nH]cc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000257686894 135139381 /nfs/dbraw/zinc/13/93/81/135139381.db2.gz MNAHAZUQTGKURC-UHFFFAOYSA-N 2 0 234.347 1.294 20 0 BDADRP Cc1ncccc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000261545337 135143621 /nfs/dbraw/zinc/14/36/21/135143621.db2.gz FYWYWJSIAOCGHK-FZMZJTMJSA-N 2 0 233.359 1.807 20 0 BDADRP COC[C@H]([NH2+][C@H](C)CC[NH+](C)C)C1CC1 ZINC000087479642 135144493 /nfs/dbraw/zinc/14/44/93/135144493.db2.gz ACILWCICUGHTEN-PWSUYJOCSA-N 2 0 214.353 1.341 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](C[C@H]2CCSC2)C1 ZINC000261528045 135152516 /nfs/dbraw/zinc/15/25/16/135152516.db2.gz JBOATPLUCWCLGO-GHMZBOCLSA-N 2 0 214.378 1.281 20 0 BDADRP CCSCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261528439 135153736 /nfs/dbraw/zinc/15/37/36/135153736.db2.gz LRYWBNLZRJVLCS-MNOVXSKESA-N 2 0 214.378 1.281 20 0 BDADRP Cc1[nH+]ccc(N2CCC[C@@H]([NH3+])C2)c1Cl ZINC000261530818 135159124 /nfs/dbraw/zinc/15/91/24/135159124.db2.gz DFNLFBBEZJQLKM-SECBINFHSA-N 2 0 225.723 1.971 20 0 BDADRP Cc1nc(C)c(CN2C[C@@H](C)[C@H]([NH3+])C2)s1 ZINC000261532250 135162218 /nfs/dbraw/zinc/16/22/18/135162218.db2.gz JTJXKTUNCMQXMW-GMSGAONNSA-N 2 0 225.361 1.539 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000261532424 135162394 /nfs/dbraw/zinc/16/23/94/135162394.db2.gz BHOMRQMRARBTGN-YNEHKIRRSA-N 2 0 226.364 1.663 20 0 BDADRP CN(Cc1cocn1)[C@@H]1CCC[NH2+]CC1 ZINC000261532287 135162569 /nfs/dbraw/zinc/16/25/69/135162569.db2.gz ABWOTVRWGSAABD-LLVKDONJSA-N 2 0 209.293 1.249 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@H]2CCSC2)C1 ZINC000261532846 135163453 /nfs/dbraw/zinc/16/34/53/135163453.db2.gz KKEHBGARZMRBAL-NWDGAFQWSA-N 2 0 228.405 1.671 20 0 BDADRP CO[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)CC[C@H]1C ZINC000261533373 135164859 /nfs/dbraw/zinc/16/48/59/135164859.db2.gz HJTMBTJTXOFESQ-UPJWGTAASA-N 2 0 226.364 1.343 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)CCCO1 ZINC000261534519 135167562 /nfs/dbraw/zinc/16/75/62/135167562.db2.gz RRCUGPKUYSISFA-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP COC[C@H](C)[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261534598 135168288 /nfs/dbraw/zinc/16/82/88/135168288.db2.gz MSHCAORFXDMQOK-GRYCIOLGSA-N 2 0 214.353 1.341 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@H]1C[NH3+])c1cn[nH]c1 ZINC000261535147 135168975 /nfs/dbraw/zinc/16/89/75/135168975.db2.gz NWBHHQBEVWIGSB-ATZCPNFKSA-N 2 0 208.309 1.188 20 0 BDADRP CC(C)OCC[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000261536437 135172548 /nfs/dbraw/zinc/17/25/48/135172548.db2.gz RRVHJKVWZJQLJN-NSHDSACASA-N 2 0 214.353 1.389 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000261538991 135177459 /nfs/dbraw/zinc/17/74/59/135177459.db2.gz BHQKFWYAGSLIER-OLZOCXBDSA-N 2 0 208.349 1.860 20 0 BDADRP COc1ccc(C)cc1CN1C[C@H](C)[C@H]([NH3+])C1 ZINC000261539941 135178495 /nfs/dbraw/zinc/17/84/95/135178495.db2.gz COROKDAJIFDSLU-WCQYABFASA-N 2 0 234.343 1.783 20 0 BDADRP c1ccc(CC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261540429 135179229 /nfs/dbraw/zinc/17/92/29/135179229.db2.gz ADFMASSMHUHMNF-LSDHHAIUSA-N 2 0 230.355 1.913 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2C[NH3+])C1(C)C ZINC000261540141 135179531 /nfs/dbraw/zinc/17/95/31/135179531.db2.gz DWJFCBZOYVZYSH-QNWHQSFQSA-N 2 0 240.391 1.907 20 0 BDADRP COC(=O)C(C)(C)C[NH2+][C@H](C)C[C@H]1CCC[NH2+]1 ZINC000261540963 135180235 /nfs/dbraw/zinc/18/02/35/135180235.db2.gz ASKKACRIPZFZER-GHMZBOCLSA-N 2 0 242.363 1.306 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CCCO1 ZINC000261540748 135180460 /nfs/dbraw/zinc/18/04/60/135180460.db2.gz HQCVBHMGKNJZDQ-MGPQQGTHSA-N 2 0 240.391 1.875 20 0 BDADRP C[NH+](C)[C@H](CNCC(C)(C)[NH3+])c1ccccc1 ZINC000261543313 135184053 /nfs/dbraw/zinc/18/40/53/135184053.db2.gz CUPTWGABVVOCPO-CYBMUJFWSA-N 2 0 235.375 1.616 20 0 BDADRP CC(C)COCCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000084218186 135193301 /nfs/dbraw/zinc/19/33/01/135193301.db2.gz DSZGUPLDUBHZSE-QWHCGFSZSA-N 2 0 228.380 1.766 20 0 BDADRP C[C@@H]1C[C@H]1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261554199 135194044 /nfs/dbraw/zinc/19/40/44/135194044.db2.gz UAYHTNAICXZIKO-NEPJUHHUSA-N 2 0 208.349 1.718 20 0 BDADRP Cc1cc(F)ccc1CN(C)[C@@H](C)C[NH3+] ZINC000261554232 135194051 /nfs/dbraw/zinc/19/40/51/135194051.db2.gz UCEVFKCRVQVEGC-JTQLQIEISA-N 2 0 210.296 1.913 20 0 BDADRP Cc1cnn(CC[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000261556402 135196332 /nfs/dbraw/zinc/19/63/32/135196332.db2.gz QNZYYPSDVMVFGV-QWHCGFSZSA-N 2 0 236.363 1.108 20 0 BDADRP COCC(C)(C)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000261559688 135200221 /nfs/dbraw/zinc/20/02/21/135200221.db2.gz ZFRYNLIGGIIYKG-QWRGUYRKSA-N 2 0 214.353 1.328 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1cnn(C)c1 ZINC000261562848 135204354 /nfs/dbraw/zinc/20/43/54/135204354.db2.gz BRAJMQZPUUOJON-HOSYDEDBSA-N 2 0 222.336 1.198 20 0 BDADRP COc1cccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000261564284 135206149 /nfs/dbraw/zinc/20/61/49/135206149.db2.gz HDYDETJVXIPETM-QEJZJMRPSA-N 2 0 246.354 1.864 20 0 BDADRP COCC1(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])CCC1 ZINC000261565341 135207605 /nfs/dbraw/zinc/20/76/05/135207605.db2.gz YESHHEZOPFKLMZ-STQMWFEESA-N 2 0 240.391 1.910 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cccc(O)c3)C[C@H]12 ZINC000261567430 135209700 /nfs/dbraw/zinc/20/97/00/135209700.db2.gz ZTJURKDUHLUGKG-KWCYVHTRSA-N 2 0 232.327 1.561 20 0 BDADRP COC[C@]1(C[NH2+]C2CCCCC2)CCC[NH2+]1 ZINC000261568175 135210206 /nfs/dbraw/zinc/21/02/06/135210206.db2.gz FKPKDCIXSYZMNC-CYBMUJFWSA-N 2 0 226.364 1.677 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCOCC1 ZINC000261568428 135210291 /nfs/dbraw/zinc/21/02/91/135210291.db2.gz FPHHKUPJVOQIHW-AVGNSLFASA-N 2 0 226.364 1.663 20 0 BDADRP C[C@@H]1CC[N@H+](CCc2cccnc2)C[C@@H]1C[NH3+] ZINC000163921289 135210700 /nfs/dbraw/zinc/21/07/00/135210700.db2.gz NNVRMDKQDSEFFF-OCCSQVGLSA-N 2 0 233.359 1.541 20 0 BDADRP CCOCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000261571299 135213151 /nfs/dbraw/zinc/21/31/51/135213151.db2.gz HKGRPIRNCGDFOI-VXGBXAGGSA-N 2 0 228.380 1.766 20 0 BDADRP CCOCC(C)(C)C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000261571297 135213216 /nfs/dbraw/zinc/21/32/16/135213216.db2.gz HKGRPIRNCGDFOI-NWDGAFQWSA-N 2 0 228.380 1.766 20 0 BDADRP CC(C)COCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261581745 135222547 /nfs/dbraw/zinc/22/25/47/135222547.db2.gz NWCJIWQYEZSGSL-OLZOCXBDSA-N 2 0 226.364 1.200 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@@H]1CCCOCC1 ZINC000261583372 135224069 /nfs/dbraw/zinc/22/40/69/135224069.db2.gz OYOYDRFHFACLLV-JHJVBQTASA-N 2 0 226.364 1.676 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1cnn(C)c1 ZINC000261586728 135227416 /nfs/dbraw/zinc/22/74/16/135227416.db2.gz RJZYVCGZEQMFLK-MVWJERBFSA-N 2 0 222.336 1.341 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H](CO)C1 ZINC000261592385 135232923 /nfs/dbraw/zinc/23/29/23/135232923.db2.gz VUEVQLUBOVSQCW-RVMXOQNASA-N 2 0 226.364 1.255 20 0 BDADRP Cc1nc(C)c(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)s1 ZINC000261596308 135235603 /nfs/dbraw/zinc/23/56/03/135235603.db2.gz YRYHIHWCWMLJAQ-GZMMTYOYSA-N 2 0 239.388 1.848 20 0 BDADRP Cc1cc(N2CC[C@]3(CC[NH2+]C3)C2)cc[nH+]1 ZINC000261595469 135236085 /nfs/dbraw/zinc/23/60/85/135236085.db2.gz YEIZKIPCMVNSDO-ZDUSSCGKSA-N 2 0 217.316 1.580 20 0 BDADRP C[C@H]1C[NH2+]CC[C@H]1NCc1ccccc1F ZINC000261598487 135237242 /nfs/dbraw/zinc/23/72/42/135237242.db2.gz ZOYQROJPYPPABJ-GXFFZTMASA-N 2 0 222.307 1.913 20 0 BDADRP Cc1ncccc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261545980 135238791 /nfs/dbraw/zinc/23/87/91/135238791.db2.gz GNJOYDMIZFXODE-IHRRRGAJSA-N 2 0 231.343 1.559 20 0 BDADRP Cc1ncccc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261545981 135238865 /nfs/dbraw/zinc/23/88/65/135238865.db2.gz GNJOYDMIZFXODE-MELADBBJSA-N 2 0 231.343 1.559 20 0 BDADRP C[C@H](C[N@H+](C)Cc1ccccc1)N[C@H]1CC[NH2+]C1 ZINC000261547175 135240060 /nfs/dbraw/zinc/24/00/60/135240060.db2.gz LZCJRMHMIYKEGF-HIFRSBDPSA-N 2 0 247.386 1.458 20 0 BDADRP C([C@H]1CCC[NH2+]C1)[N@@H+]1CCCC2(CC2)C1 ZINC000261547121 135240090 /nfs/dbraw/zinc/24/00/90/135240090.db2.gz LWILBLWGQUSISJ-LBPRGKRZSA-N 2 0 208.349 1.862 20 0 BDADRP C[C@H]1C[C@@H]1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000261548146 135241663 /nfs/dbraw/zinc/24/16/63/135241663.db2.gz NEDOVMMMDWMHOA-NWDGAFQWSA-N 2 0 208.349 1.718 20 0 BDADRP CCc1noc(C)c1CN1CC[C@](C)(C[NH3+])C1 ZINC000261698773 135246663 /nfs/dbraw/zinc/24/66/63/135246663.db2.gz HXQNFAZFDQUINA-CYBMUJFWSA-N 2 0 237.347 1.716 20 0 BDADRP C[C@H](O)C1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261714691 135247448 /nfs/dbraw/zinc/24/74/48/135247448.db2.gz FCEDGLLOFZBEOX-WCQYABFASA-N 2 0 226.364 1.079 20 0 BDADRP COCC1(C)CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261751293 135249884 /nfs/dbraw/zinc/24/98/84/135249884.db2.gz JVJHHEAWVAJMNR-CQSZACIVSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@@H](c1cnccn1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000342233938 135254306 /nfs/dbraw/zinc/25/43/06/135254306.db2.gz PLAILCIKUQCEQL-LBPRGKRZSA-N 2 0 248.374 1.811 20 0 BDADRP COC(=O)C(C)(C)CC[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000261831505 135256002 /nfs/dbraw/zinc/25/60/02/135256002.db2.gz JBVKQFVAPFAVNR-WDEREUQCSA-N 2 0 242.363 1.245 20 0 BDADRP CCC(CC)(C[NH3+])NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261848931 135256729 /nfs/dbraw/zinc/25/67/29/135256729.db2.gz MNVVAWGLIZVMMA-LLVKDONJSA-N 2 0 241.379 1.010 20 0 BDADRP Cc1ccc(NC(=O)C[C@H](C)[NH3+])c(C[NH+](C)C)c1 ZINC000261839009 135256927 /nfs/dbraw/zinc/25/69/27/135256927.db2.gz NSNBUZWJWWSKLA-NSHDSACASA-N 2 0 249.358 1.732 20 0 BDADRP CCOC(=O)C[C@H](C)[N@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000261953968 135265694 /nfs/dbraw/zinc/26/56/94/135265694.db2.gz GKFAVNJUEIDVRW-WCQYABFASA-N 2 0 242.363 1.260 20 0 BDADRP COCC(C)(C)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261956372 135266072 /nfs/dbraw/zinc/26/60/72/135266072.db2.gz OSVPZATYNBMPKC-TUAOUCFPSA-N 2 0 226.364 1.328 20 0 BDADRP c1cn(C[C@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)cn1 ZINC000262002303 135271610 /nfs/dbraw/zinc/27/16/10/135271610.db2.gz UGQDLOFYCIZSKO-CQSZACIVSA-N 2 0 248.374 1.347 20 0 BDADRP C[NH2+]CCC1CC[NH+](CC(C)(C)COC)CC1 ZINC000262007680 135272008 /nfs/dbraw/zinc/27/20/08/135272008.db2.gz USDKCWCFXQUCNG-UHFFFAOYSA-N 2 0 242.407 1.981 20 0 BDADRP CCN1C[C@H](C)[N@H+](CC2CC[NH2+]CC2)C[C@@H]1C ZINC000262013591 135273293 /nfs/dbraw/zinc/27/32/93/135273293.db2.gz VHMLGCFIEVJKKG-STQMWFEESA-N 2 0 239.407 1.401 20 0 BDADRP Cc1ccncc1CN(C)C[C@@]1(C)CC[NH2+]C1 ZINC000262029476 135273627 /nfs/dbraw/zinc/27/36/27/135273627.db2.gz NYKIDURNCLAPMQ-AWEZNQCLSA-N 2 0 233.359 1.821 20 0 BDADRP CC[N@@H+]1C[C@H](C)N(C[C@H]2CCC[NH2+]C2)C[C@H]1C ZINC000262030881 135274047 /nfs/dbraw/zinc/27/40/47/135274047.db2.gz XDKRHSCEZAEDFG-RDBSUJKOSA-N 2 0 239.407 1.401 20 0 BDADRP C[N@H+](C[C@@H]1CCC[C@@H]1O)C[C@]1(C)CC[NH2+]C1 ZINC000262061765 135276501 /nfs/dbraw/zinc/27/65/01/135276501.db2.gz RFBOFONWQBVPSK-RWMBFGLXSA-N 2 0 226.364 1.079 20 0 BDADRP COCC(C)(C)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262092218 135278681 /nfs/dbraw/zinc/27/86/81/135278681.db2.gz UXBVZFUHSMLAQZ-CYBMUJFWSA-N 2 0 226.364 1.344 20 0 BDADRP C[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)[C@H]1CN ZINC000262116250 135279883 /nfs/dbraw/zinc/27/98/83/135279883.db2.gz BKTBOXSDUBHWMS-YPMHNXCESA-N 2 0 225.380 1.045 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCOCC(F)F)C1 ZINC000262129494 135280866 /nfs/dbraw/zinc/28/08/66/135280866.db2.gz NTRIIWMJRVOCAS-ZJUUUORDSA-N 2 0 236.306 1.327 20 0 BDADRP C[C@H](C[NH2+][C@H]1CCC1(C)C)N1CC[NH+](C)CC1 ZINC000342699265 135306248 /nfs/dbraw/zinc/30/62/48/135306248.db2.gz NXSAMXDTPYKQHO-OLZOCXBDSA-N 2 0 239.407 1.401 20 0 BDADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC1=[NH+]CCCN1 ZINC000262812391 135319734 /nfs/dbraw/zinc/31/97/34/135319734.db2.gz VMFISHJSFOTVSF-GFCCVEGCSA-N 2 0 238.379 1.046 20 0 BDADRP Cc1cnc(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)n1C ZINC000342775901 135327289 /nfs/dbraw/zinc/32/72/89/135327289.db2.gz FZANHNKIGYVUNG-CHWSQXEVSA-N 2 0 248.374 1.397 20 0 BDADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC[NH3+])C1 ZINC000263061904 135330140 /nfs/dbraw/zinc/33/01/40/135330140.db2.gz VMHNMYDUWDQRBH-KGLIPLIRSA-N 2 0 239.407 1.532 20 0 BDADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC1=[NH+]CCCN1 ZINC000263161825 135336475 /nfs/dbraw/zinc/33/64/75/135336475.db2.gz OZRXGLWVANIZTE-VXGBXAGGSA-N 2 0 238.379 1.188 20 0 BDADRP NC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000263168656 135337250 /nfs/dbraw/zinc/33/72/50/135337250.db2.gz QWBJVSHECYSICO-LBPRGKRZSA-N 2 0 238.379 1.514 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)NCC1(C)CC[NH2+]CC1 ZINC000263308101 135345781 /nfs/dbraw/zinc/34/57/81/135345781.db2.gz OUOZOEHBJNMIBE-CYBMUJFWSA-N 2 0 241.379 1.010 20 0 BDADRP COCC[C@H](C)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094070497 135610481 /nfs/dbraw/zinc/61/04/81/135610481.db2.gz QGZLIGLJAIDUPO-LBPRGKRZSA-N 2 0 244.379 1.241 20 0 BDADRP c1ccc2c(c1)CC[NH2+][C@@H]2CNC1CC[NH2+]CC1 ZINC000334821314 135832940 /nfs/dbraw/zinc/83/29/40/135832940.db2.gz WFPCGXKCPBYZHU-OAHLLOKOSA-N 2 0 245.370 1.215 20 0 BDADRP CC[N@@H+]1C[C@@H](C)[C@@H](NCCC[NH+]2CCCC2)C1 ZINC000347722933 136003421 /nfs/dbraw/zinc/00/34/21/136003421.db2.gz PFKMYEXIDJLBPK-KGLIPLIRSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@@H]1CN(Cc2cccc(N)c2)C[C@H]1[NH3+] ZINC000335296508 136006395 /nfs/dbraw/zinc/00/63/95/136006395.db2.gz DNCQULIGYXHBEZ-BXKDBHETSA-N 2 0 205.305 1.048 20 0 BDADRP CC(C)C[C@H](C)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000347884757 136014973 /nfs/dbraw/zinc/01/49/73/136014973.db2.gz YEGXIBFCXAHMHD-KBPBESRZSA-N 2 0 242.407 1.715 20 0 BDADRP O[C@H](C[NH2+][C@@H]1CC[C@@H]1C1CC1)C[NH+]1CCCC1 ZINC000348105977 136037041 /nfs/dbraw/zinc/03/70/41/136037041.db2.gz PAASLVNLZKOHJK-MGPQQGTHSA-N 2 0 238.375 1.221 20 0 BDADRP C[C@H]1COCC[C@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000335368096 136082171 /nfs/dbraw/zinc/08/21/71/136082171.db2.gz XKEYIYRAMVIJSP-GFJIZPEISA-N 2 0 240.391 1.874 20 0 BDADRP Fc1ccc2c(c1)[C@H]([NH2+]CC1C[NH2+]C1)CC2 ZINC000335552585 136098583 /nfs/dbraw/zinc/09/85/83/136098583.db2.gz PJOQFPZHIYMBRW-CYBMUJFWSA-N 2 0 220.291 1.622 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000335562277 136106505 /nfs/dbraw/zinc/10/65/05/136106505.db2.gz BKQHDQJJTXBGKT-NWDGAFQWSA-N 3 0 225.380 1.188 20 0 BDADRP C[C@@H]1CCNC[C@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000335566771 136107872 /nfs/dbraw/zinc/10/78/72/136107872.db2.gz WCVHDCDOYHHVTC-CHWSQXEVSA-N 2 0 239.407 1.306 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@H]3CCCOC3)C2)C1 ZINC000335569731 136108816 /nfs/dbraw/zinc/10/88/16/136108816.db2.gz DAKKXWSPMIAGPM-ZIAGYGMSSA-N 2 0 238.375 1.441 20 0 BDADRP CCC(CC)C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000422860798 397757977 /nfs/dbraw/zinc/75/79/77/397757977.db2.gz NCMSDKJTIZJJAM-CYZMBNFOSA-N 2 0 228.380 1.765 20 0 BDADRP COC[C@@H](C)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000647542452 397783853 /nfs/dbraw/zinc/78/38/53/397783853.db2.gz PCDVOMXFPQJVSP-LBPRGKRZSA-N 2 0 226.364 1.344 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCCCO1 ZINC000382300547 397880153 /nfs/dbraw/zinc/88/01/53/397880153.db2.gz TUOAXGLYGORCEJ-UMSGYPCISA-N 2 0 226.364 1.804 20 0 BDADRP C[C@@H]1C[C@@H](N(C)C[C@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000649547186 397938497 /nfs/dbraw/zinc/93/84/97/397938497.db2.gz NIZGKKQYSUEZKD-HZSPNIEDSA-N 2 0 239.407 1.495 20 0 BDADRP COCCOCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623376556 397956720 /nfs/dbraw/zinc/95/67/20/397956720.db2.gz YBVBUQAWPYKQOD-LBPRGKRZSA-N 2 0 244.379 1.112 20 0 BDADRP CC[N@@H+]1CCN(C[C@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000649610225 397995763 /nfs/dbraw/zinc/99/57/63/397995763.db2.gz LIUVPWMWTOECRN-QWHCGFSZSA-N 2 0 225.380 1.107 20 0 BDADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C[C@@H]1CC[NH2+]C1 ZINC000382753125 397971666 /nfs/dbraw/zinc/97/16/66/397971666.db2.gz IYBGZFSBZMPRGT-KGLIPLIRSA-N 2 0 239.407 1.402 20 0 BDADRP CCC(CC)(CCO)[NH2+]C[C@H]1CCCN1C ZINC000649601581 397988939 /nfs/dbraw/zinc/98/89/39/397988939.db2.gz VOOMDCIUUKKQBS-GFCCVEGCSA-N 2 0 228.380 1.611 20 0 BDADRP Cc1nnsc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000392906669 398060855 /nfs/dbraw/zinc/06/08/55/398060855.db2.gz VFTQUWOVDXWAHE-UHFFFAOYSA-N 2 0 238.360 1.198 20 0 BDADRP Oc1cccc(C[NH2+]CC[C@H]2CCC[NH2+]C2)c1 ZINC000414852910 398061036 /nfs/dbraw/zinc/06/10/36/398061036.db2.gz QXCPARPKGMPLLR-GFCCVEGCSA-N 2 0 234.343 1.872 20 0 BDADRP CC[C@H](C)C[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000185866618 398092573 /nfs/dbraw/zinc/09/25/73/398092573.db2.gz OINWVSQZASCBRK-UONOGXRCSA-N 2 0 241.423 1.648 20 0 BDADRP C[C@@H]1OCC[C@H]1[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414917611 398092811 /nfs/dbraw/zinc/09/28/11/398092811.db2.gz RVOLZZIGNUHBQD-TUAOUCFPSA-N 2 0 212.337 1.143 20 0 BDADRP CC[C@@H](C)C[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000093067192 398094048 /nfs/dbraw/zinc/09/40/48/398094048.db2.gz NCLZLLIODOGBKI-OLZOCXBDSA-N 2 0 227.396 1.258 20 0 BDADRP CC(C)(CO)C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000643475059 398076435 /nfs/dbraw/zinc/07/64/35/398076435.db2.gz ULNIBISUQBXFPD-QWRGUYRKSA-N 2 0 214.353 1.255 20 0 BDADRP C[N@H+](C[C@H]1CCOc2ccccc21)C1CC([NH3+])C1 ZINC000384849612 398111720 /nfs/dbraw/zinc/11/17/20/398111720.db2.gz BGKORUHYPVVYAI-PNESKVBLSA-N 2 0 246.354 1.974 20 0 BDADRP CCC1(O)CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000336712058 398134173 /nfs/dbraw/zinc/13/41/73/398134173.db2.gz RMDZARKOZHIRAN-ZDUSSCGKSA-N 2 0 240.391 1.708 20 0 BDADRP COC[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000398123432 322864966 /nfs/dbraw/zinc/86/49/66/322864966.db2.gz QYDRURYOYODYEX-YPMHNXCESA-N 2 0 226.364 1.391 20 0 BDADRP C[C@@H]([NH3+])CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000257741031 322873691 /nfs/dbraw/zinc/87/36/91/322873691.db2.gz BKQMNWVSBQXHHU-OLZOCXBDSA-N 2 0 225.380 1.141 20 0 BDADRP c1ccc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)nc1 ZINC000258678642 322875005 /nfs/dbraw/zinc/87/50/05/322875005.db2.gz IDKJMPCHGGEYBO-LBPRGKRZSA-N 2 0 219.332 1.561 20 0 BDADRP CC(C)[NH2+]C[C@]1(N(C)C)CCSC1 ZINC000132816586 167117001 /nfs/dbraw/zinc/11/70/01/167117001.db2.gz VTJSYYQSBKGMSW-SNVBAGLBSA-N 2 0 202.367 1.422 20 0 BDADRP Cc1n[nH]c(C)c1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000334845206 487571774 /nfs/dbraw/zinc/57/17/74/487571774.db2.gz JQYUGJDQUSISPH-QWRGUYRKSA-N 2 0 222.336 1.386 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000334848777 487573927 /nfs/dbraw/zinc/57/39/27/487573927.db2.gz SFOYYGKWOBLZQC-PYNQCMFNSA-N 3 0 225.380 1.363 20 0 BDADRP CC(C)OCCC[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000309420013 167214947 /nfs/dbraw/zinc/21/49/47/167214947.db2.gz JTCCATGKWTULIJ-NEPJUHHUSA-N 2 0 214.353 1.471 20 0 BDADRP CC(C)[C@@H](C)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000081058700 487577339 /nfs/dbraw/zinc/57/73/39/487577339.db2.gz JLAQLGVXVGXCGR-STQMWFEESA-N 2 0 228.380 1.325 20 0 BDADRP CC(C)OCCC[NH2+]C1CC[NH2+]CC1 ZINC000038040771 167220331 /nfs/dbraw/zinc/22/03/31/167220331.db2.gz NXKCBZWUMHYKSZ-UHFFFAOYSA-N 2 0 200.326 1.143 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@H]2CCCC[C@@H]2O)C1 ZINC000383099284 487586533 /nfs/dbraw/zinc/58/65/33/487586533.db2.gz ZOELDUUMQACSGO-DGAVXFQQSA-N 2 0 240.391 1.597 20 0 BDADRP CC(C)OC[C@H](C)[NH2+]CCCC[NH+](C)C ZINC000308999099 167263622 /nfs/dbraw/zinc/26/36/22/167263622.db2.gz NKOOIXZWAZADNH-LBPRGKRZSA-N 2 0 216.369 1.731 20 0 BDADRP CC1(C)CCCC[C@H]1C[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC000662265179 409561626 /nfs/dbraw/zinc/56/16/26/409561626.db2.gz GCNLPGQAGFULKP-QWHCGFSZSA-N 2 0 240.391 1.862 20 0 BDADRP C([C@@H]1C[C@H]2C[C@H]2C1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000662264616 409562245 /nfs/dbraw/zinc/56/22/45/409562245.db2.gz DXMPPBOZSHPHLN-XJFOESAGSA-N 2 0 220.360 1.718 20 0 BDADRP CC(C)[N@H+](CC1CC1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252204 409548399 /nfs/dbraw/zinc/54/83/99/409548399.db2.gz MEJSNLKBUQWVDL-ZDUSSCGKSA-N 2 0 238.375 1.628 20 0 BDADRP CC[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@@H](C)C(C)C ZINC000662255362 409551303 /nfs/dbraw/zinc/55/13/03/409551303.db2.gz YCKLKMIIRRFKMF-QWHCGFSZSA-N 2 0 240.391 1.874 20 0 BDADRP C[N@H+](CC[C@H]1CC[NH2+]C1)CC1=CCCOC1 ZINC000662304716 409628092 /nfs/dbraw/zinc/62/80/92/409628092.db2.gz AEYUCIXPDWKTBO-GFCCVEGCSA-N 2 0 224.348 1.265 20 0 BDADRP COCCC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662324594 409639740 /nfs/dbraw/zinc/63/97/40/409639740.db2.gz ZAHYTGVKQHVHIZ-CYBMUJFWSA-N 2 0 244.379 1.066 20 0 BDADRP COCCC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662324595 409639752 /nfs/dbraw/zinc/63/97/52/409639752.db2.gz ZAHYTGVKQHVHIZ-ZDUSSCGKSA-N 2 0 244.379 1.066 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCO[C@H]1CC1(F)F ZINC000662276548 409589701 /nfs/dbraw/zinc/58/97/01/409589701.db2.gz KHKVJLARXLQVKN-UWVGGRQHSA-N 2 0 248.317 1.388 20 0 BDADRP CC[C@H]([NH2+]C)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000662422107 409705406 /nfs/dbraw/zinc/70/54/06/409705406.db2.gz NCJUIUGYCWSAER-CABZTGNLSA-N 2 0 235.331 1.643 20 0 BDADRP CCCC[N@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000308791387 409905337 /nfs/dbraw/zinc/90/53/37/409905337.db2.gz BCXNMHWXTXBKLY-LBPRGKRZSA-N 2 0 216.369 1.419 20 0 BDADRP Cc1ccc([C@@H]([NH3+])C(=O)N(C)CC(C)(C)[NH3+])cc1 ZINC000662845334 409951148 /nfs/dbraw/zinc/95/11/48/409951148.db2.gz OEBDZFIINYWGBE-GFCCVEGCSA-N 2 0 249.358 1.191 20 0 BDADRP CCO[C@@H]1C[N@H+](CC2(C)CCC2)C[C@H]1C[NH3+] ZINC000405844083 409987139 /nfs/dbraw/zinc/98/71/39/409987139.db2.gz GSOFPMXMZCOEMG-VXGBXAGGSA-N 2 0 226.364 1.472 20 0 BDADRP C[C@@H]1CN(C)c2ccccc2C[N@@H+]1CCC[NH3+] ZINC000335253467 487612688 /nfs/dbraw/zinc/61/26/88/487612688.db2.gz VJQVXWKHNWANFY-GFCCVEGCSA-N 2 0 233.359 1.676 20 0 BDADRP C[NH2+]Cc1ccccc1CNC(=O)C(C)(C)C[NH3+] ZINC000653210623 410165812 /nfs/dbraw/zinc/16/58/12/410165812.db2.gz CPUSGLZNNXKVNI-UHFFFAOYSA-N 2 0 249.358 1.007 20 0 BDADRP C[C@@H]1CCCN(C(=O)CCCC[NH3+])[C@H]1CC[NH3+] ZINC000653240838 410181818 /nfs/dbraw/zinc/18/18/18/410181818.db2.gz TYCWWVAHMHZHRU-NEPJUHHUSA-N 2 0 241.379 1.091 20 0 BDADRP COc1ccc(C2CC[NH+](CCC[NH3+])CC2)nc1 ZINC000650704383 410336515 /nfs/dbraw/zinc/33/65/15/410336515.db2.gz WFQVZNDFKGBWRR-UHFFFAOYSA-N 2 0 249.358 1.618 20 0 BDADRP C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650718108 410355513 /nfs/dbraw/zinc/35/55/13/410355513.db2.gz YFZMDOMMAINWMC-TVQRCGJNSA-N 2 0 238.306 1.551 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709856 410340426 /nfs/dbraw/zinc/34/04/26/410340426.db2.gz UAYYTBBHXDRXRV-IHRRRGAJSA-N 2 0 239.407 1.421 20 0 BDADRP C[C@H]1CCCN(CC[NH2+]C(C)(C)C)[C@H]1CC[NH3+] ZINC000650712124 410341341 /nfs/dbraw/zinc/34/13/41/410341341.db2.gz RCJSFEFWQRDKNK-STQMWFEESA-N 2 0 241.423 1.824 20 0 BDADRP [NH3+]CC1(CC[NH2+][C@H]2CCCOCC2)CC1 ZINC000650713895 410345582 /nfs/dbraw/zinc/34/55/82/410345582.db2.gz IJYCPMUWEXNIIM-NSHDSACASA-N 2 0 212.337 1.274 20 0 BDADRP C[C@H](CO)C1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000650714928 410348092 /nfs/dbraw/zinc/34/80/92/410348092.db2.gz HPZMFVYAMXXKCE-TZMCWYRMSA-N 2 0 240.391 1.326 20 0 BDADRP [NH3+]Cc1ccc(CN[C@H]2CCC[NH2+]C2)c(F)c1 ZINC000650716522 410353826 /nfs/dbraw/zinc/35/38/26/410353826.db2.gz BCVZILJKVUSSQV-LBPRGKRZSA-N 2 0 237.322 1.126 20 0 BDADRP C[NH2+]Cc1ccccc1CN[C@@H]1CCC[NH2+]C1 ZINC000650720644 410360528 /nfs/dbraw/zinc/36/05/28/410360528.db2.gz XAKDKUVCZAGJIG-CQSZACIVSA-N 3 0 233.359 1.248 20 0 BDADRP CN(CC[NH2+]C(C)(C)C)CC[NH+]1CCCCC1 ZINC000650725050 410361124 /nfs/dbraw/zinc/36/11/24/410361124.db2.gz SBJBTGHIPYRBIQ-UHFFFAOYSA-N 2 0 241.423 1.792 20 0 BDADRP C[NH2+]Cc1ccccc1CN[C@H]1C[NH2+]C[C@H](C)C1 ZINC000650720605 410361517 /nfs/dbraw/zinc/36/15/17/410361517.db2.gz VTYKDMVMWKXYMA-IUODEOHRSA-N 3 0 247.386 1.494 20 0 BDADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)C1CC[NH+](C)CC1 ZINC000650744175 410380914 /nfs/dbraw/zinc/38/09/14/410380914.db2.gz HYHAZGNXGDDYSN-LBPRGKRZSA-N 3 0 239.407 1.435 20 0 BDADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1nccs1 ZINC000650745326 410383262 /nfs/dbraw/zinc/38/32/62/410383262.db2.gz DKZCHJMRSFQKKW-VIFPVBQESA-N 2 0 225.361 1.923 20 0 BDADRP C[C@@H]([NH2+][C@H]1CNc2ccccc2C1)C1C[NH2+]C1 ZINC000650748270 410386710 /nfs/dbraw/zinc/38/67/10/410386710.db2.gz QYSLJCZXAKIEHS-ZWNOBZJWSA-N 2 0 231.343 1.221 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCC2CC[NH2+]CC2)c2nccn21 ZINC000650761832 410408882 /nfs/dbraw/zinc/40/88/82/410408882.db2.gz LNIHSQBSMUKTHS-AAEUAGOBSA-N 2 0 248.374 1.868 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650762221 410412214 /nfs/dbraw/zinc/41/22/14/410412214.db2.gz XJKQLFARIPRQSB-CHWSQXEVSA-N 3 0 225.380 1.093 20 0 BDADRP Cc1nccnc1[C@@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650763058 410412553 /nfs/dbraw/zinc/41/25/53/410412553.db2.gz PRDXURXSULLYPY-LLVKDONJSA-N 2 0 248.374 1.825 20 0 BDADRP CO[C@H](C[NH2+]CCC[NH+]1CCCC1)C1CC1 ZINC000393494065 410703306 /nfs/dbraw/zinc/70/33/06/410703306.db2.gz QXHHIVFMBPIUST-CYBMUJFWSA-N 2 0 226.364 1.487 20 0 BDADRP COC1CC(CC[NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC000665230707 410725029 /nfs/dbraw/zinc/72/50/29/410725029.db2.gz UIAVCGMRKBAYDT-MVKMKZAISA-N 2 0 226.364 1.519 20 0 BDADRP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1nccn1C ZINC000665283348 410762866 /nfs/dbraw/zinc/76/28/66/410762866.db2.gz MISOWYLQNAVVQT-VOMCLLRMSA-N 2 0 236.363 1.588 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]CCOC ZINC000020049188 169775950 /nfs/dbraw/zinc/77/59/50/169775950.db2.gz UHUIUTHVQOSOIW-GFCCVEGCSA-N 2 0 216.369 1.733 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000396449886 410882792 /nfs/dbraw/zinc/88/27/92/410882792.db2.gz SNUYZAKMBUVIBH-STQMWFEESA-N 3 0 241.423 1.824 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)C1CC[NH+](C)CC1 ZINC000396440748 410882929 /nfs/dbraw/zinc/88/29/29/410882929.db2.gz LECIOBSYTKGEGB-IACUBPJLSA-N 3 0 239.407 1.576 20 0 BDADRP CC(C)[NH2+]CCN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000368318085 167107458 /nfs/dbraw/zinc/10/74/58/167107458.db2.gz PGOKVGVHOMXGJU-ZDUSSCGKSA-N 2 0 225.380 1.012 20 0 BDADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]([NH3+])CC(C)C ZINC000041680143 410933483 /nfs/dbraw/zinc/93/34/83/410933483.db2.gz VGWQSBKWXQLPJD-VXGBXAGGSA-N 2 0 243.395 1.206 20 0 BDADRP CC[NH+](CC)CCC[N@H+](C)C[C@@H](O)C1CC1 ZINC000683140595 487619924 /nfs/dbraw/zinc/61/99/24/487619924.db2.gz BHWIBPOUPNWVRK-CYBMUJFWSA-N 2 0 228.380 1.421 20 0 BDADRP C[N@H+](CCCC1CC[NH2+]CC1)C[C@@H]1CCOC1 ZINC000398936571 410998205 /nfs/dbraw/zinc/99/82/05/410998205.db2.gz HTCBRGAWHAUCJN-AWEZNQCLSA-N 2 0 240.391 1.735 20 0 BDADRP CCO[C@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000042425533 411003971 /nfs/dbraw/zinc/00/39/71/411003971.db2.gz GJRWQSGRFXYQMH-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP COC[C@@H]([NH2+]CCC1CC[NH2+]CC1)C1CC1 ZINC000398125587 410944471 /nfs/dbraw/zinc/94/44/71/410944471.db2.gz RKASIEKAGIYXRH-CYBMUJFWSA-N 2 0 226.364 1.391 20 0 BDADRP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CCC1 ZINC000400928564 411163211 /nfs/dbraw/zinc/16/32/11/411163211.db2.gz NFHONUCLEOBBCJ-YNEHKIRRSA-N 2 0 208.349 1.764 20 0 BDADRP CCc1noc(CN2CCC[C@H](CC[NH3+])C2)n1 ZINC000070170543 411137338 /nfs/dbraw/zinc/13/73/38/411137338.db2.gz HDLUROVYNBAHDB-SNVBAGLBSA-N 2 0 238.335 1.193 20 0 BDADRP CC(C)C[C@H](C)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000302457913 411137743 /nfs/dbraw/zinc/13/77/43/411137743.db2.gz YFQRJSFOUZGDRV-AWEZNQCLSA-N 2 0 241.423 1.506 20 0 BDADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000651865149 411147977 /nfs/dbraw/zinc/14/79/77/411147977.db2.gz OVHNRCVCWAGKTI-STQMWFEESA-N 2 0 228.380 1.731 20 0 BDADRP C[N@H+](CC1CCOCC1)[C@H]1CCC[NH2+]CC1 ZINC000082666942 411152064 /nfs/dbraw/zinc/15/20/64/411152064.db2.gz GOWFRVUQZACSSW-ZDUSSCGKSA-N 2 0 226.364 1.487 20 0 BDADRP Cc1ccc(CN[C@@H]2[C@H](C)CC[NH2+][C@@H]2C)cn1 ZINC000655940387 411160487 /nfs/dbraw/zinc/16/04/87/411160487.db2.gz ADXOLCQBVKAHGF-MPKXVKKWSA-N 2 0 233.359 1.866 20 0 BDADRP CC[NH+]1CCC([NH2+]CCC2(CO)CCC2)CC1 ZINC000652038021 411089425 /nfs/dbraw/zinc/08/94/25/411089425.db2.gz GYLCVUICVZMQCT-UHFFFAOYSA-N 2 0 240.391 1.613 20 0 BDADRP FC1(F)CC[C@H](C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000300854767 411127139 /nfs/dbraw/zinc/12/71/39/411127139.db2.gz KBDMWJWNVKUEOE-HBNTYKKESA-N 2 0 230.302 1.573 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH2+]C1(C2CCC2)CC1 ZINC000653778940 411167850 /nfs/dbraw/zinc/16/78/50/411167850.db2.gz JPKUINXPBCWUKZ-LBPRGKRZSA-N 2 0 226.364 1.221 20 0 BDADRP Cc1nccn1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401000726 411168591 /nfs/dbraw/zinc/16/85/91/411168591.db2.gz BEHQWUQEHKNBFF-MELADBBJSA-N 2 0 248.374 1.169 20 0 BDADRP C[C@H]1C[NH2+]C[C@H](NCC[N@H+](C)C2CCCC2)C1 ZINC000401737944 411170807 /nfs/dbraw/zinc/17/08/07/411170807.db2.gz PZLUNBXFNOFSEQ-CHWSQXEVSA-N 2 0 239.407 1.448 20 0 BDADRP C1=C(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCOC1 ZINC000401026712 411173607 /nfs/dbraw/zinc/17/36/07/411173607.db2.gz JRNXEVPYXYFAFV-HZSPNIEDSA-N 2 0 236.359 1.311 20 0 BDADRP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCCS1 ZINC000401052357 411174598 /nfs/dbraw/zinc/17/45/98/411174598.db2.gz YYBDKIKUHGUNSG-LPWJVIDDSA-N 2 0 240.416 1.860 20 0 BDADRP C1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CS1 ZINC000401156956 411177649 /nfs/dbraw/zinc/17/76/49/411177649.db2.gz ROSKICJGMASUNK-QCNOEVLYSA-N 2 0 226.389 1.470 20 0 BDADRP CCOCCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401093070 411178604 /nfs/dbraw/zinc/17/86/04/411178604.db2.gz VYQCVKCODZRNNJ-HZSPNIEDSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CCCC[C@H]1O ZINC000656197080 411201654 /nfs/dbraw/zinc/20/16/54/411201654.db2.gz BJJZEPDHGASUPG-AAVRWANBSA-N 2 0 240.391 1.787 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000656198623 411203137 /nfs/dbraw/zinc/20/31/37/411203137.db2.gz AFTRIPVQOWEOOZ-UPJWGTAASA-N 2 0 227.396 1.576 20 0 BDADRP CC(C)C[N@H+](C)CCCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000656199987 411204171 /nfs/dbraw/zinc/20/41/71/411204171.db2.gz DGXQJFGLJWBXIW-KGLIPLIRSA-N 2 0 241.423 1.824 20 0 BDADRP COCC1(C[NH2+]C2CCC(C[NH3+])CC2)CC1 ZINC000656200335 411204248 /nfs/dbraw/zinc/20/42/48/411204248.db2.gz LVIVFYGGBOFXOM-UHFFFAOYSA-N 2 0 226.364 1.520 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCC2CC[NH2+]CC2)C1 ZINC000656200354 411204438 /nfs/dbraw/zinc/20/44/38/411204438.db2.gz KEDJADBFEVIGRR-CHWSQXEVSA-N 3 0 225.380 1.236 20 0 BDADRP C[C@@H](N[C@@H](C)Cc1ccccn1)[C@H]1CCC[NH2+]1 ZINC000656201235 411206145 /nfs/dbraw/zinc/20/61/45/411206145.db2.gz LADZTLZSCVLJQC-OUCADQQQSA-N 2 0 233.359 1.743 20 0 BDADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CCCF)C2)C1 ZINC000652349204 411211175 /nfs/dbraw/zinc/21/11/75/411211175.db2.gz FMEPZIPHOAGZQQ-XQQFMLRXSA-N 2 0 244.354 1.564 20 0 BDADRP C[C@@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)[C@@H]1CC[NH3+] ZINC000652355682 411215568 /nfs/dbraw/zinc/21/55/68/411215568.db2.gz DHYHTRZUMXGEFS-MGPQQGTHSA-N 3 0 239.407 1.435 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000658045177 411217217 /nfs/dbraw/zinc/21/72/17/411217217.db2.gz CRAABMCMCFXITQ-UPJWGTAASA-N 2 0 238.375 1.628 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CO1 ZINC000402371356 411220514 /nfs/dbraw/zinc/22/05/14/411220514.db2.gz HBJAAYPXMWMIAW-SJHCENCUSA-N 2 0 224.348 1.142 20 0 BDADRP COC[C@H]([NH2+]C[C@H]1CCN1C(C)(C)C)C1CC1 ZINC000658056490 411222820 /nfs/dbraw/zinc/22/28/20/411222820.db2.gz LNIHEAFLWKNFRW-OLZOCXBDSA-N 2 0 240.391 1.874 20 0 BDADRP COC1CC(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000658057876 411224112 /nfs/dbraw/zinc/22/41/12/411224112.db2.gz ZWUKZFRBWAVCSY-RJZJGCCBSA-N 2 0 240.391 1.874 20 0 BDADRP COCCC1(C[NH2+][C@H]2CCC[C@@H]2[NH3+])CCC1 ZINC000422883625 411233331 /nfs/dbraw/zinc/23/33/31/411233331.db2.gz CNQXGPVJFDIBAV-RYUDHWBXSA-N 2 0 226.364 1.663 20 0 BDADRP CC[C@H]([NH2+]C[C@@H](C)CCOC)[C@@H]1CCC[NH2+]1 ZINC000423173518 411235894 /nfs/dbraw/zinc/23/58/94/411235894.db2.gz ZCAIKETZOZKWET-AVGNSLFASA-N 2 0 228.380 1.779 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000423306823 411237457 /nfs/dbraw/zinc/23/74/57/411237457.db2.gz MBAHXJRRPSFNTB-BDAKNGLRSA-N 2 0 227.739 1.980 20 0 BDADRP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc(Cl)cn1 ZINC000423306824 411237599 /nfs/dbraw/zinc/23/75/99/411237599.db2.gz MBAHXJRRPSFNTB-DTWKUNHWSA-N 2 0 227.739 1.980 20 0 BDADRP CC[C@@H]1C[N@H+](Cc2cccnc2C)CC[C@@H]1[NH3+] ZINC000310516697 411239703 /nfs/dbraw/zinc/23/97/03/411239703.db2.gz RVPUPYLGXVEBJG-OCCSQVGLSA-N 2 0 233.359 1.949 20 0 BDADRP CCC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)COC1 ZINC000400907235 411165451 /nfs/dbraw/zinc/16/54/51/411165451.db2.gz BWXBBBHCPZYHFG-RWMBFGLXSA-N 2 0 238.375 1.391 20 0 BDADRP CCC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)COC1 ZINC000400907237 411165628 /nfs/dbraw/zinc/16/56/28/411165628.db2.gz BWXBBBHCPZYHFG-YNEHKIRRSA-N 2 0 238.375 1.391 20 0 BDADRP C[C@@H](CN[C@@H]1CCCn2ccnc21)[N@H+](C)C1CC1 ZINC000655714380 411267707 /nfs/dbraw/zinc/26/77/07/411267707.db2.gz BUKOOBFPKAJOOJ-WCQYABFASA-N 2 0 248.374 1.790 20 0 BDADRP CCC[C@H](C[NH2+]CCC[NH+](C)C)OC ZINC000382329260 411289853 /nfs/dbraw/zinc/28/98/53/411289853.db2.gz VYKGAMGTKYZGET-LLVKDONJSA-N 2 0 202.342 1.343 20 0 BDADRP CC[NH+](CC)[C@@H]1CCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000062980204 411330353 /nfs/dbraw/zinc/33/03/53/411330353.db2.gz PHQJXJAMKJLHRH-CHWSQXEVSA-N 2 0 225.380 1.012 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@@H](CO)CC2CC2)CC1 ZINC000658246489 411311682 /nfs/dbraw/zinc/31/16/82/411311682.db2.gz DIIWJGGSBYGUDK-ZDUSSCGKSA-N 2 0 240.391 1.469 20 0 BDADRP COC[C@@H](C)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402805032 411317906 /nfs/dbraw/zinc/31/79/06/411317906.db2.gz ZSASFRCQKCAYHO-AVGNSLFASA-N 2 0 226.364 1.330 20 0 BDADRP CC[C@@H](O)C[NH2+]CCC1CC[NH+](C)CC1 ZINC000125143534 411349652 /nfs/dbraw/zinc/34/96/52/411349652.db2.gz RAFIMNJFONHFJV-GFCCVEGCSA-N 2 0 214.353 1.079 20 0 BDADRP CC[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)[C@@H](C)CO1 ZINC000404068225 411374217 /nfs/dbraw/zinc/37/42/17/411374217.db2.gz LCVFLMYDEZISJP-YNEHKIRRSA-N 2 0 226.364 1.485 20 0 BDADRP CC[NH2+][C@H](C)CNCc1ccc2c(c1)C[NH2+]CC2 ZINC000656785443 411364302 /nfs/dbraw/zinc/36/43/02/411364302.db2.gz HLFGMPFGULQILP-GFCCVEGCSA-N 2 0 247.386 1.420 20 0 BDADRP C[C@@H](CC[NH3+])[NH2+]Cc1ccc2c(c1)C[NH2+]CC2 ZINC000656787124 411365975 /nfs/dbraw/zinc/36/59/75/411365975.db2.gz UOLMUNZNEZQMKH-NSHDSACASA-N 3 0 233.359 1.159 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH+]2C)C[C@@]1(C)CO ZINC000662146605 411367842 /nfs/dbraw/zinc/36/78/42/411367842.db2.gz SFGUXDYHAXFLHU-MCIONIFRSA-N 2 0 240.391 1.421 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+]CC2([NH3+])CCCC2)CC[NH2+]1 ZINC000656789522 411368643 /nfs/dbraw/zinc/36/86/43/411368643.db2.gz PMCTYUNWWFLVKX-NEPJUHHUSA-N 3 0 225.380 1.236 20 0 BDADRP [NH3+]C1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCCC1 ZINC000656789581 411369545 /nfs/dbraw/zinc/36/95/45/411369545.db2.gz RPZFGDLERZZWTF-FRRDWIJNSA-N 3 0 237.391 1.236 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)CC[NH2+]1 ZINC000656791492 411370650 /nfs/dbraw/zinc/37/06/50/411370650.db2.gz HRRUAOJCMURFOV-YIYPIFLZSA-N 2 0 238.375 1.343 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+]CCCC1CCC1 ZINC000656709980 411335913 /nfs/dbraw/zinc/33/59/13/411335913.db2.gz GHEWPIHFUPIGET-CQSZACIVSA-N 2 0 242.407 1.857 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@]2(C)OC)[C@@H](C)C1 ZINC000658330356 411338526 /nfs/dbraw/zinc/33/85/26/411338526.db2.gz CXUQZWGXELNXBP-LOWDOPEQSA-N 2 0 226.364 1.484 20 0 BDADRP Cc1cnccc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000129718496 411377877 /nfs/dbraw/zinc/37/78/77/411377877.db2.gz FNHGDTLTOXDEJC-GFCCVEGCSA-N 2 0 219.332 1.479 20 0 BDADRP C1[C@H](c2nc([C@@H]3CCC[NH2+]3)no2)[C@]12CCC[NH2+]C2 ZINC000653491044 411381589 /nfs/dbraw/zinc/38/15/89/411381589.db2.gz IIELOJVPCLBBHK-GBIKHYSHSA-N 2 0 248.330 1.351 20 0 BDADRP CC1CC([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000335154437 168147834 /nfs/dbraw/zinc/14/78/34/168147834.db2.gz BBDQHZIWMOOPJR-XMTWOHMPSA-N 2 0 208.349 1.763 20 0 BDADRP C[C@H](C[C@@H]1COCCN1)[NH2+]C1CC(C)C1 ZINC000123371923 168148066 /nfs/dbraw/zinc/14/80/66/168148066.db2.gz DJGXUWQYCWVCIK-RUJICJSRSA-N 2 0 212.337 1.142 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC1(CO)CCCCC1 ZINC000125484159 411376497 /nfs/dbraw/zinc/37/64/97/411376497.db2.gz ZMTOCHQXWOPZSZ-STQMWFEESA-N 2 0 240.391 1.646 20 0 BDADRP CC1CC[NH+](CCN2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000336544613 168178758 /nfs/dbraw/zinc/17/87/58/168178758.db2.gz AVVLIFAJMNMCTK-AWEZNQCLSA-N 2 0 239.407 1.354 20 0 BDADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)CC[NH+](C)C ZINC000356946606 168300856 /nfs/dbraw/zinc/30/08/56/168300856.db2.gz ZTMMZLIAPSIYQK-NSHDSACASA-N 2 0 243.395 1.173 20 0 BDADRP CCOCCC[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404370279 411392726 /nfs/dbraw/zinc/39/27/26/411392726.db2.gz IRFZZBCRKQBKQG-OLZOCXBDSA-N 2 0 228.380 1.862 20 0 BDADRP Cc1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])on1 ZINC000404376649 411392756 /nfs/dbraw/zinc/39/27/56/411392756.db2.gz KYNONUQTLKMFSZ-MFKMUULPSA-N 2 0 237.347 1.932 20 0 BDADRP Cc1ncc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)n1C ZINC000657313377 411460890 /nfs/dbraw/zinc/46/08/90/411460890.db2.gz KVBSTYIUNZQZFJ-QWHCGFSZSA-N 2 0 248.374 1.445 20 0 BDADRP CCO[C@@H]1C[N@H+](Cc2ccccc2C)C[C@H]1C[NH3+] ZINC000405425753 411428295 /nfs/dbraw/zinc/42/82/95/411428295.db2.gz GECSGOMLFZGHOP-HUUCEWRRSA-N 2 0 248.370 1.791 20 0 BDADRP COC[C@H]([NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1)C1CC1 ZINC000126442173 411437328 /nfs/dbraw/zinc/43/73/28/411437328.db2.gz HIFFUVSOJAFGJE-JSGCOSHPSA-N 2 0 240.391 1.731 20 0 BDADRP Cc1c[nH]c(CNC[C@@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000657334726 411468440 /nfs/dbraw/zinc/46/84/40/411468440.db2.gz FTHSZDTVHBXRJA-LBPRGKRZSA-N 2 0 236.363 1.538 20 0 BDADRP Cc1ncc(CN[C@@H]2CC[N@H+](CC3CC3)C2)n1C ZINC000657355218 411478478 /nfs/dbraw/zinc/47/84/78/411478478.db2.gz GNZCFVXQEKXIMM-CYBMUJFWSA-N 2 0 248.374 1.302 20 0 BDADRP CC[C@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)CCO1 ZINC000069890703 411505447 /nfs/dbraw/zinc/50/54/47/411505447.db2.gz JSRPAFZXEUBPCT-STQMWFEESA-N 2 0 228.380 1.875 20 0 BDADRP C[C@H]1COCC[C@H]1[NH2+]Cc1cnc2n1CCC2 ZINC000657450569 411511874 /nfs/dbraw/zinc/51/18/74/411511874.db2.gz RTNFERSCRVHDKX-CMPLNLGQSA-N 2 0 235.331 1.344 20 0 BDADRP CCN1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000250239397 169976005 /nfs/dbraw/zinc/97/60/05/169976005.db2.gz HCIYRYRJQMSJJL-RWMBFGLXSA-N 2 0 225.380 1.188 20 0 BDADRP Cc1ncncc1[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655803785 411518129 /nfs/dbraw/zinc/51/81/29/411518129.db2.gz YKOXQYHUDIMJGJ-WCFLWFBJSA-N 2 0 248.374 1.776 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccncn1 ZINC000655802532 411518267 /nfs/dbraw/zinc/51/82/67/411518267.db2.gz FPWITXSCWZKQCX-SDDRHHMPSA-N 2 0 234.347 1.467 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)[C@@H](C)O1 ZINC000655804313 411519276 /nfs/dbraw/zinc/51/92/76/411519276.db2.gz UDMRWVFZFWBDGO-NJMOYASZSA-N 2 0 226.364 1.482 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cccc(O)c2)C1 ZINC000655826794 411529760 /nfs/dbraw/zinc/52/97/60/411529760.db2.gz YZZGTKOQCGWFPT-BETUJISGSA-N 2 0 234.343 1.822 20 0 BDADRP Cc1ncc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cn1 ZINC000655827014 411530084 /nfs/dbraw/zinc/53/00/84/411530084.db2.gz MUCCZGUPDSKSMH-BJHJDKERSA-N 2 0 234.347 1.215 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CO[C@H](CC)C2)C1 ZINC000657327161 411466633 /nfs/dbraw/zinc/46/66/33/411466633.db2.gz ZCOLYUNJPWJDSC-HZSPNIEDSA-N 2 0 240.391 1.875 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@]2(C)CCCO2)C1 ZINC000340189020 170016562 /nfs/dbraw/zinc/01/65/62/170016562.db2.gz SIGVGVBEZJMWOJ-MJBXVCDLSA-N 2 0 240.391 1.875 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCCCO)C[C@H]1C ZINC000336714546 170017570 /nfs/dbraw/zinc/01/75/70/170017570.db2.gz UAEJZQYNOVVHIB-KGLIPLIRSA-N 2 0 242.407 1.954 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(C)(C)O)C[C@H]1C ZINC000360453862 170017711 /nfs/dbraw/zinc/01/77/11/170017711.db2.gz GWXFADIKJIWVRU-OLZOCXBDSA-N 2 0 242.407 1.952 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)CC[C@H](C)O)[C@@H](C)C1 ZINC000336660719 170018124 /nfs/dbraw/zinc/01/81/24/170018124.db2.gz BCFLPVYLMXLEKT-AVGNSLFASA-N 2 0 228.380 1.419 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)C(C)C)[C@H](C)C1 ZINC000336694041 170018273 /nfs/dbraw/zinc/01/82/73/170018273.db2.gz IFINDLJHJOKYPX-RDBSUJKOSA-N 2 0 242.407 1.665 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CCOC2)[C@@H](C)C1 ZINC000336717177 170019559 /nfs/dbraw/zinc/01/95/59/170019559.db2.gz WEQIMNQLBVDWTG-IHRRRGAJSA-N 2 0 240.391 1.685 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](OC)C2CC2)[C@H](C)C1 ZINC000340492598 170021194 /nfs/dbraw/zinc/02/11/94/170021194.db2.gz RJNOZLQZJHMGHT-KWCYVHTRSA-N 2 0 240.391 1.731 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCSC2)[C@@H](C)C1 ZINC000309046047 170022096 /nfs/dbraw/zinc/02/20/96/170022096.db2.gz OQFIGDHGNIYTMK-SRVKXCTJSA-N 2 0 228.405 1.812 20 0 BDADRP Cc1c[nH]c(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)n1 ZINC000657504742 411539214 /nfs/dbraw/zinc/53/92/14/411539214.db2.gz MOIRNHUDFYWCRK-PHIMTYICSA-N 2 0 222.336 1.148 20 0 BDADRP C[NH+]1CCC(NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000657523956 411540691 /nfs/dbraw/zinc/54/06/91/411540691.db2.gz MMCJZPOTIHPLQN-CYBMUJFWSA-N 2 0 239.407 1.543 20 0 BDADRP C1CCN2CCC[C@@H]([NH2+][C@@H]3CCCOC3)[C@@H]2C1 ZINC000655849471 411537806 /nfs/dbraw/zinc/53/78/06/411537806.db2.gz VNGCUWGCLYONND-MCIONIFRSA-N 2 0 238.375 1.772 20 0 BDADRP CC[NH2+]CCNC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000236946166 170114821 /nfs/dbraw/zinc/11/48/21/170114821.db2.gz NYCUCQLCIGSBPK-DGCLKSJQSA-N 2 0 249.358 1.048 20 0 BDADRP CC[NH2+]Cc1cccc(NC(=O)[C@@H](C)[C@@H](C)[NH3+])c1 ZINC000191987264 170128646 /nfs/dbraw/zinc/12/86/46/170128646.db2.gz GPZRXLKQMOOWPX-WDEREUQCSA-N 2 0 249.358 1.718 20 0 BDADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000358922137 170157380 /nfs/dbraw/zinc/15/73/80/170157380.db2.gz BIELALVDDAMIBV-MDZLAQPJSA-N 2 0 241.379 1.008 20 0 BDADRP CCOC(=O)CC[N@H+](C)C1CCN(CC)CC1 ZINC000042680402 170203913 /nfs/dbraw/zinc/20/39/13/170203913.db2.gz RWJHUMYKQXPSEU-UHFFFAOYSA-N 2 0 242.363 1.356 20 0 BDADRP CCOCCC[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000122351580 170374441 /nfs/dbraw/zinc/37/44/41/170374441.db2.gz LHTWJDQJAFYMFG-WDEREUQCSA-N 2 0 200.326 1.082 20 0 BDADRP FCCOCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000663338855 411628971 /nfs/dbraw/zinc/62/89/71/411628971.db2.gz OKTRYHMRIFGDLY-RYUDHWBXSA-N 2 0 230.327 1.189 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC(C)(C)C[C@H]1C ZINC000660806022 411638776 /nfs/dbraw/zinc/63/87/76/411638776.db2.gz QUYNLMXMDKJSNY-OLZOCXBDSA-N 2 0 242.407 1.808 20 0 BDADRP CC[C@H](O)C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000663374238 411641287 /nfs/dbraw/zinc/64/12/87/411641287.db2.gz IOPCALVEBWAADI-AWEZNQCLSA-N 2 0 240.391 1.469 20 0 BDADRP CN1CCC([NH2+]C[C@H](CO)CC2CC2)CC1 ZINC000657704461 411583913 /nfs/dbraw/zinc/58/39/13/411583913.db2.gz GEIPGPUNJMHUBT-GFCCVEGCSA-N 2 0 226.364 1.079 20 0 BDADRP Cc1cncc(CN2CCn3cncc3C2)c1 ZINC000660582734 411603050 /nfs/dbraw/zinc/60/30/50/411603050.db2.gz YYEBVVYXFTZHOH-UHFFFAOYSA-N 2 0 228.299 1.602 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000657842011 411610103 /nfs/dbraw/zinc/61/01/03/411610103.db2.gz SHWPLYKPDVQJAR-OLZOCXBDSA-N 2 0 238.375 1.629 20 0 BDADRP COCCC[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660656754 411614602 /nfs/dbraw/zinc/61/46/02/411614602.db2.gz XLQSOSTYFBEZFK-CYBMUJFWSA-N 2 0 226.364 1.441 20 0 BDADRP C(N1CC[NH2+]CC12CCCCC2)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663493725 411672341 /nfs/dbraw/zinc/67/23/41/411672341.db2.gz DOJZIXYZBXCTPH-KGLIPLIRSA-N 2 0 249.402 1.204 20 0 BDADRP CC[NH2+]Cc1ccccc1NC[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663493377 411672982 /nfs/dbraw/zinc/67/29/82/411672982.db2.gz HQKOWCDHYLMNRY-HIFRSBDPSA-N 2 0 245.370 1.818 20 0 BDADRP C[NH2+]Cc1ccc(NC[C@]23C[C@H]2C[NH2+]C3)cc1 ZINC000663495707 411676332 /nfs/dbraw/zinc/67/63/32/411676332.db2.gz AVSNYUZVAWWAGJ-GXTWGEPZSA-N 2 0 231.343 1.427 20 0 BDADRP C([NH2+]C1CCN(C[C@]23C[C@H]2C[NH2+]C3)CC1)C1CC1 ZINC000663495710 411676807 /nfs/dbraw/zinc/67/68/07/411676807.db2.gz PFFGVSRWOGLYDW-DZGCQCFKSA-N 2 0 249.402 1.060 20 0 BDADRP C[C@@H]1CCCN(C[C@@]23C[C@@H]2C[NH2+]C3)[C@H]1CC[NH3+] ZINC000663497464 411678999 /nfs/dbraw/zinc/67/89/99/411678999.db2.gz OSSMQFGFGZRKAH-MQYQWHSLSA-N 2 0 237.391 1.045 20 0 BDADRP CC(C)[NH+]1CCC(NCC23CC(C2)C[NH2+]3)CC1 ZINC000663497842 411679725 /nfs/dbraw/zinc/67/97/25/411679725.db2.gz KNAJXCCNRGMDNW-UHFFFAOYSA-N 2 0 237.391 1.201 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCCSC1 ZINC000663498686 411682380 /nfs/dbraw/zinc/68/23/80/411682380.db2.gz DAYVCADQXZPUIL-GHMZBOCLSA-N 2 0 216.394 1.845 20 0 BDADRP CCC[NH+]1CCC(NCC23CC(C2)C[NH2+]3)CC1 ZINC000663499500 411684359 /nfs/dbraw/zinc/68/43/59/411684359.db2.gz XAFSSHADKZJUTC-UHFFFAOYSA-N 2 0 237.391 1.202 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CCO[C@@H]1C ZINC000663500711 411684536 /nfs/dbraw/zinc/68/45/36/411684536.db2.gz UCEKKVMLPWJALY-MXWKQRLJSA-N 2 0 200.326 1.127 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccnn1C(C)C ZINC000663503875 411687103 /nfs/dbraw/zinc/68/71/03/411687103.db2.gz URLXVRLBIDCTOP-CYBMUJFWSA-N 2 0 238.379 1.927 20 0 BDADRP C[C@@H]1CN(c2[nH+]ccc3[nH]ccc32)C[C@H]1[NH+](C)C ZINC000663709301 411728879 /nfs/dbraw/zinc/72/88/79/411728879.db2.gz OPLSRUMGBGLING-ZWNOBZJWSA-N 2 0 244.342 1.949 20 0 BDADRP C[NH+](C)C[C@@H]1CCN(c2[nH+]ccc3[nH]ccc32)C1 ZINC000663788528 411747453 /nfs/dbraw/zinc/74/74/53/411747453.db2.gz SCWMNMQMXIHSSE-NSHDSACASA-N 2 0 244.342 1.951 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000661699677 411845042 /nfs/dbraw/zinc/84/50/42/411845042.db2.gz DSYTYWJEVIIYDR-KBPBESRZSA-N 2 0 240.391 1.687 20 0 BDADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661715661 411856404 /nfs/dbraw/zinc/85/64/04/411856404.db2.gz NFWVWVPJANICJA-MELADBBJSA-N 2 0 238.375 1.318 20 0 BDADRP O[C@@H]1C[C@H]([NH2+]CCN2CCCCC2)C12CCC2 ZINC000661830925 411896310 /nfs/dbraw/zinc/89/63/10/411896310.db2.gz LDUQUBZTHRLSQB-QWHCGFSZSA-N 2 0 238.375 1.365 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1)C1CCC1 ZINC000662243232 412038539 /nfs/dbraw/zinc/03/85/39/412038539.db2.gz GYBUIDVWTLTTOI-RAIGVLPGSA-N 2 0 226.364 1.471 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1)C1CCC1 ZINC000662243230 412038948 /nfs/dbraw/zinc/03/89/48/412038948.db2.gz GYBUIDVWTLTTOI-CYZMBNFOSA-N 2 0 226.364 1.471 20 0 BDADRP CC(C)=CCC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000662246800 412043335 /nfs/dbraw/zinc/04/33/35/412043335.db2.gz RWJKPDCFKPASPO-UHFFFAOYSA-N 2 0 225.380 1.180 20 0 BDADRP CO[C@H](C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1)C1CCC1 ZINC000662246381 412043539 /nfs/dbraw/zinc/04/35/39/412043539.db2.gz ROPLTMHPPIZTQZ-MRVWCRGKSA-N 2 0 240.391 1.861 20 0 BDADRP CCC[NH+](CCC)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662248696 412046378 /nfs/dbraw/zinc/04/63/78/412046378.db2.gz BDTOKCGSEKPOTF-GFCCVEGCSA-N 2 0 226.364 1.629 20 0 BDADRP CO[C@H](C[NH2+][C@](C)(C[NH3+])C(C)C)C1CCC1 ZINC000662250141 412047614 /nfs/dbraw/zinc/04/76/14/412047614.db2.gz YZZMLUBJQIQLIG-CHWSQXEVSA-N 2 0 228.380 1.765 20 0 BDADRP CC[C@]1(C)CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662258698 412053396 /nfs/dbraw/zinc/05/33/96/412053396.db2.gz ZCDBKUDNOPYZGB-QWHCGFSZSA-N 2 0 238.375 1.629 20 0 BDADRP CC[C@@H]1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662259030 412053956 /nfs/dbraw/zinc/05/39/56/412053956.db2.gz OMYURUKUEAANPA-NEPJUHHUSA-N 2 0 224.348 1.239 20 0 BDADRP CC(C)[C@@H]1C[N@H+](C[C@H]2CNCCO2)CCS1 ZINC000662259184 412054944 /nfs/dbraw/zinc/05/49/44/412054944.db2.gz RMWMKZVHIOQPPL-NEPJUHHUSA-N 2 0 244.404 1.048 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCO[C@H]2CC2(F)F)C1 ZINC000662266754 412057701 /nfs/dbraw/zinc/05/77/01/412057701.db2.gz OSVLQJAAJTWGKL-AEJSXWLSSA-N 2 0 234.290 1.080 20 0 BDADRP Cc1nnc([C@@H](C)[N@@H+]2CCC[C@H](CC[NH3+])C2)[nH]1 ZINC000662272515 412063321 /nfs/dbraw/zinc/06/33/21/412063321.db2.gz OJIRUMDFKABXDV-MWLCHTKSSA-N 2 0 237.351 1.235 20 0 BDADRP CC[C@@H]1C[C@@H](C[NH2+][C@H](C)CN(C)C)CCO1 ZINC000336728288 171121375 /nfs/dbraw/zinc/12/13/75/171121375.db2.gz HANPFWFWXRHAEJ-FRRDWIJNSA-N 2 0 228.380 1.731 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000295131160 171148425 /nfs/dbraw/zinc/14/84/25/171148425.db2.gz OMSOQODVFJSWCI-STQMWFEESA-N 2 0 247.342 1.472 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1)C1CCC1 ZINC000662280833 412073136 /nfs/dbraw/zinc/07/31/36/412073136.db2.gz GECCOVXTEAQBCX-MRVWCRGKSA-N 2 0 240.391 1.718 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1)c1ccccn1 ZINC000662282272 412073637 /nfs/dbraw/zinc/07/36/37/412073637.db2.gz OFYUBMMEGROGOZ-NEPJUHHUSA-N 2 0 247.342 1.253 20 0 BDADRP CC[C@H](C)C[C@H](CC)[NH2+]C[C@]1(O)CCN(C)C1 ZINC000358230048 171298897 /nfs/dbraw/zinc/29/88/97/171298897.db2.gz GNLWZALNCBPCME-MELADBBJSA-N 2 0 242.407 1.857 20 0 BDADRP COCC[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297397 412083811 /nfs/dbraw/zinc/08/38/11/412083811.db2.gz PDMBCROWMODRRT-CYBMUJFWSA-N 2 0 226.364 1.344 20 0 BDADRP OCC1([NH2+]CCC2CCCC2)CC[NH2+]CC1 ZINC000662287226 412079353 /nfs/dbraw/zinc/07/93/53/412079353.db2.gz VNESEKKDJIHUTB-UHFFFAOYSA-N 2 0 226.364 1.271 20 0 BDADRP CCOCC[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290001 412079557 /nfs/dbraw/zinc/07/95/57/412079557.db2.gz DEPMMCBPYXADBR-AWEZNQCLSA-N 2 0 240.391 1.735 20 0 BDADRP CC[C@H](C)[C@@H](C)[N@H+](CCOCC[NH3+])C1CC1 ZINC000357079854 171361907 /nfs/dbraw/zinc/36/19/07/171361907.db2.gz LPMCUGVRVLDIMR-NWDGAFQWSA-N 2 0 228.380 1.861 20 0 BDADRP OCC[C@@H]1CCCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000662298980 412086589 /nfs/dbraw/zinc/08/65/89/412086589.db2.gz IDAVXADSHJNECW-AWEZNQCLSA-N 2 0 240.391 1.613 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000305111664 171403491 /nfs/dbraw/zinc/40/34/91/171403491.db2.gz GEBJVDUWZLMOLK-RFQIPJPRSA-N 2 0 242.407 1.713 20 0 BDADRP [NH3+]CC12CC(C1)C[N@@H+]2CCC1CCCC1 ZINC000662303427 412089106 /nfs/dbraw/zinc/08/91/06/412089106.db2.gz DISQJMOXNPPVCW-UHFFFAOYSA-N 2 0 208.349 1.990 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCCC[C@@H]1[C@H](C)CO ZINC000662302132 412089482 /nfs/dbraw/zinc/08/94/82/412089482.db2.gz XDLLNMGCYXPBHG-VXGBXAGGSA-N 2 0 214.353 1.079 20 0 BDADRP C[N@H+](CCC1CC[NH2+]CC1)CC1=CCCOC1 ZINC000662305553 412090255 /nfs/dbraw/zinc/09/02/55/412090255.db2.gz JHLAXUMNCGZZNJ-UHFFFAOYSA-N 2 0 238.375 1.655 20 0 BDADRP C[C@@H]([NH3+])CN1c2ccccc2CC[C@@H]1C[NH3+] ZINC000662305111 412091898 /nfs/dbraw/zinc/09/18/98/412091898.db2.gz OFFLWUODQYGBAN-ZYHUDNBSSA-N 2 0 219.332 1.114 20 0 BDADRP C(C[N@@H+]1CC[C@]2(C1)CCCOC2)[C@H]1CC[NH2+]C1 ZINC000662315958 412095784 /nfs/dbraw/zinc/09/57/84/412095784.db2.gz RJFVQDHLFUJZJK-KGLIPLIRSA-N 2 0 238.375 1.489 20 0 BDADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1CCCO1 ZINC000665235955 412175680 /nfs/dbraw/zinc/17/56/80/412175680.db2.gz DENFRPSEUIXPGT-GWCFXTLKSA-N 2 0 249.358 1.678 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C2CCC(C[NH3+])CC2)c2ncnn21 ZINC000665235905 412176308 /nfs/dbraw/zinc/17/63/08/412176308.db2.gz CCNSCEVCVDNHIR-WNYYMSAVSA-N 2 0 249.362 1.391 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C2CCC(C[NH3+])CC2)c2ncnn21 ZINC000665235904 412177207 /nfs/dbraw/zinc/17/72/07/412177207.db2.gz CCNSCEVCVDNHIR-HBIQZDMRSA-N 2 0 249.362 1.391 20 0 BDADRP OC/C=C\C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000665238825 412179653 /nfs/dbraw/zinc/17/96/53/412179653.db2.gz FHRJUWKNMAAPBZ-LNKCBZSZSA-N 2 0 224.348 1.045 20 0 BDADRP CC[C@H]([NH2+]C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000662472771 412187962 /nfs/dbraw/zinc/18/79/62/412187962.db2.gz AUUXPZOCSHUPQC-QWRGUYRKSA-N 2 0 243.395 1.077 20 0 BDADRP CC(C)(F)CC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000665262020 412203892 /nfs/dbraw/zinc/20/38/92/412203892.db2.gz RMODRTXUJFMBFG-UWVGGRQHSA-N 2 0 202.317 1.842 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCc1ccoc1 ZINC000665261519 412204690 /nfs/dbraw/zinc/20/46/90/412204690.db2.gz FIEYRJOWWFEXFY-DRZSPHRISA-N 2 0 238.331 1.164 20 0 BDADRP CC[C@@H](O)C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000665261766 412204769 /nfs/dbraw/zinc/20/47/69/412204769.db2.gz KVANEVNQMRKHIF-JOYOIKCWSA-N 2 0 237.347 1.270 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1ccoc1 ZINC000665262950 412205930 /nfs/dbraw/zinc/20/59/30/412205930.db2.gz CKSSJDGEDRLIQG-QWHCGFSZSA-N 2 0 222.332 1.929 20 0 BDADRP c1cc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)co1 ZINC000665262894 412206151 /nfs/dbraw/zinc/20/61/51/412206151.db2.gz BFHNADMVZJHMBX-MGPQQGTHSA-N 2 0 234.343 1.800 20 0 BDADRP Cn1ncc(C2CC2)c1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000665264958 412206969 /nfs/dbraw/zinc/20/69/69/412206969.db2.gz MTXUQEAGKXBEEF-NWDGAFQWSA-N 2 0 248.374 1.657 20 0 BDADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCCC1CCC1 ZINC000665266733 412210803 /nfs/dbraw/zinc/21/08/03/412210803.db2.gz IKGLKMSVBMAEME-IACUBPJLSA-N 2 0 240.391 1.909 20 0 BDADRP CC[NH2+]Cc1cccc(NC(=O)[C@@H](CC)[NH2+]C)c1 ZINC000662398181 412147549 /nfs/dbraw/zinc/14/75/49/412147549.db2.gz BADWASDSQHUDNU-CYBMUJFWSA-N 2 0 249.358 1.733 20 0 BDADRP CC[NH2+]Cc1cccc(NC(=O)[C@H](CC)[NH2+]C)c1 ZINC000662398182 412147772 /nfs/dbraw/zinc/14/77/72/412147772.db2.gz BADWASDSQHUDNU-ZDUSSCGKSA-N 2 0 249.358 1.733 20 0 BDADRP CC[C@@H]([NH2+]C)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000662418899 412159868 /nfs/dbraw/zinc/15/98/68/412159868.db2.gz XYNUFISJZFYCNV-VXGBXAGGSA-N 2 0 241.379 1.008 20 0 BDADRP COC1CC(CC[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000665230294 412168308 /nfs/dbraw/zinc/16/83/08/412168308.db2.gz MFSUJTXAASXYQW-GFJIZPEISA-N 2 0 240.391 1.779 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCc1noc2ccccc21 ZINC000665232144 412169917 /nfs/dbraw/zinc/16/99/17/412169917.db2.gz HBUYQIIPSOHHMB-WCQYABFASA-N 2 0 245.326 1.840 20 0 BDADRP CC[NH+](CC)CCCCNC(=O)C[NH2+]C(C)C ZINC000662682125 412269773 /nfs/dbraw/zinc/26/97/73/412269773.db2.gz FUIFPPXIRBRAFM-UHFFFAOYSA-N 2 0 243.395 1.223 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])C1CCCC1 ZINC000665275274 412219221 /nfs/dbraw/zinc/21/92/21/412219221.db2.gz GLCOPAVVXMGGQT-MGPQQGTHSA-N 2 0 240.391 1.909 20 0 BDADRP CC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)[C@H]1CCOC1 ZINC000665278243 412220240 /nfs/dbraw/zinc/22/02/40/412220240.db2.gz YZIXEHDRGRWSAC-ZFQMDJOTSA-N 2 0 224.348 1.143 20 0 BDADRP C[N@@H+]1CC[C@H](NCC23CC(C2)C[NH2+]3)[C@@H]2CCC[C@@H]21 ZINC000665279622 412222514 /nfs/dbraw/zinc/22/25/14/412222514.db2.gz HNFNXGLDEPXQDN-CQKDUHAVSA-N 2 0 249.402 1.201 20 0 BDADRP CC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)[C@H]1C[C@H]1C ZINC000665280279 412224253 /nfs/dbraw/zinc/22/42/53/412224253.db2.gz XSOGQHZCQNNQKY-SZMZNBQVSA-N 2 0 208.349 1.763 20 0 BDADRP Cc1nn(C)cc1[C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000665280510 412224483 /nfs/dbraw/zinc/22/44/83/412224483.db2.gz DWVPSRUQMMEQGM-ZWNOBZJWSA-N 2 0 238.379 1.753 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000665281448 412225997 /nfs/dbraw/zinc/22/59/97/412225997.db2.gz COXMATQAHJLJBG-FRRDWIJNSA-N 2 0 228.380 1.765 20 0 BDADRP CC(C)C[C@H](C[NH3+])CC(=O)N(C)CC(C)(C)[NH3+] ZINC000662602050 412235128 /nfs/dbraw/zinc/23/51/28/412235128.db2.gz MHYHPANHFRRQPC-NSHDSACASA-N 2 0 243.395 1.193 20 0 BDADRP C[NH2+]C[C@H](C)N[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000665297441 412244556 /nfs/dbraw/zinc/24/45/56/412244556.db2.gz FZVMNMOGKIIYDL-RFQIPJPRSA-N 2 0 239.407 1.495 20 0 BDADRP C[NH2+]C[C@@H](C)N[C@@H](C)c1ccc(C[NH3+])nc1C ZINC000665299510 412248352 /nfs/dbraw/zinc/24/83/52/412248352.db2.gz OKJTXLNRHCPACW-ZJUUUORDSA-N 2 0 236.363 1.107 20 0 BDADRP CN(CC(C)(C)[NH3+])C(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000662845581 412320090 /nfs/dbraw/zinc/32/00/90/412320090.db2.gz VCYZKUCQLGYVDE-AWEZNQCLSA-N 2 0 249.358 1.056 20 0 BDADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662892234 412337834 /nfs/dbraw/zinc/33/78/34/412337834.db2.gz BZUFEBDQMWNHIX-IJLUTSLNSA-N 2 0 241.379 1.090 20 0 BDADRP C[NH2+]C[C@@H](C)NC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000662966833 412359056 /nfs/dbraw/zinc/35/90/56/412359056.db2.gz CMQCTWVRVYPOOQ-ZJUUUORDSA-N 2 0 235.331 1.044 20 0 BDADRP CC1(C)CC[NH2+][C@@H]1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000662767539 412296143 /nfs/dbraw/zinc/29/61/43/412296143.db2.gz VURLPRBPKGBCNO-GFCCVEGCSA-N 2 0 247.342 1.472 20 0 BDADRP C[C@@H]1C[C@@H](NC(=O)CCC(C)(C)[NH3+])CC[N@@H+]1C ZINC000132947014 412374084 /nfs/dbraw/zinc/37/40/84/412374084.db2.gz COXPFZLUEBXOID-MNOVXSKESA-N 2 0 241.379 1.103 20 0 BDADRP CCn1nccc1C[NH2+]C[C@H](C)Cn1ccnc1 ZINC000118961038 172270164 /nfs/dbraw/zinc/27/01/64/172270164.db2.gz QEVUBXLDNGLNSU-LBPRGKRZSA-N 2 0 247.346 1.525 20 0 BDADRP CN(C)C[C@@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000061644413 172487075 /nfs/dbraw/zinc/48/70/75/172487075.db2.gz GXIYDZCFNRZAQP-ZDUSSCGKSA-N 2 0 225.380 1.012 20 0 BDADRP C[N@H+](CCOc1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC000226434392 172772049 /nfs/dbraw/zinc/77/20/49/172772049.db2.gz VZSHMLDXRAMFKG-CQSZACIVSA-N 2 0 248.370 1.997 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000368333753 173005741 /nfs/dbraw/zinc/00/57/41/173005741.db2.gz GQZSKECUUFHUOD-MQYQWHSLSA-N 2 0 238.375 1.031 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H](CO)C1CCCC1 ZINC000352708735 173026533 /nfs/dbraw/zinc/02/65/33/173026533.db2.gz XMQJFLYWTSQJGR-KGLIPLIRSA-N 2 0 240.391 1.611 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CCN1CC[C@@H](n2cncn2)C1 ZINC000364536330 173027162 /nfs/dbraw/zinc/02/71/62/173027162.db2.gz ZPEGWJDLKMHYIS-CHWSQXEVSA-N 2 0 249.362 1.009 20 0 BDADRP C[N@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1CCC[C@@H]1O ZINC000352699403 173029026 /nfs/dbraw/zinc/02/90/26/173029026.db2.gz QRINWZYJSIESRI-UPJWGTAASA-N 2 0 226.364 1.316 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+](CCCCO)C1CC1 ZINC000305717265 173029303 /nfs/dbraw/zinc/02/93/03/173029303.db2.gz HZWQTOQGDCFKND-CYBMUJFWSA-N 2 0 240.391 1.708 20 0 BDADRP C[N@@H+]1CCC[C@@H]2C[NH+](CC3(C)COC3)CC[C@H]21 ZINC000336689561 173036209 /nfs/dbraw/zinc/03/62/09/173036209.db2.gz HSZZJYRTKZKMMF-CHWSQXEVSA-N 2 0 238.375 1.439 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCC[C@H](CO)C1 ZINC000372880292 173051797 /nfs/dbraw/zinc/05/17/97/173051797.db2.gz KUYRQVZDYORSQP-KBPBESRZSA-N 2 0 240.391 1.565 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](CO)CC1 ZINC000339750622 173051813 /nfs/dbraw/zinc/05/18/13/173051813.db2.gz OIRKECHBJWMBGP-KGLIPLIRSA-N 2 0 240.391 1.565 20 0 BDADRP C[N@@H+]1CCC[C@H]1CCN1CC[NH+]2CCC[C@H]2C1 ZINC000245607081 173054760 /nfs/dbraw/zinc/05/47/60/173054760.db2.gz KGJAJHMWYSPBCE-KBPBESRZSA-N 2 0 237.391 1.251 20 0 BDADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCC2(C)C)CC1 ZINC000336692142 173080601 /nfs/dbraw/zinc/08/06/01/173080601.db2.gz HKRZQFJTSSLQKF-CYBMUJFWSA-N 2 0 239.407 1.402 20 0 BDADRP C[NH+]1CCN(CC[NH2+]C2CCCCCC2)CC1 ZINC000037496834 173082382 /nfs/dbraw/zinc/08/23/82/173082382.db2.gz GXPNOHWMEWVHME-UHFFFAOYSA-N 2 0 239.407 1.546 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCc3cccnc3)C2)C1 ZINC000292094535 173138289 /nfs/dbraw/zinc/13/82/89/173138289.db2.gz HCUFVGCVXFHEEU-OAHLLOKOSA-N 2 0 245.370 1.652 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCCn3ccnc3)C2)C1 ZINC000366518833 173138932 /nfs/dbraw/zinc/13/89/32/173138932.db2.gz IMLLNQAAWMCCTL-CQSZACIVSA-N 2 0 248.374 1.301 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CC2(O)CCC2)[C@H]2CCC[C@H]21 ZINC000368616483 173152490 /nfs/dbraw/zinc/15/24/90/173152490.db2.gz SZRJXOICMFQJPW-FRRDWIJNSA-N 2 0 238.375 1.364 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CCCCCO)[C@@H]2CCC[C@@H]21 ZINC000353609588 173153548 /nfs/dbraw/zinc/15/35/48/173153548.db2.gz TZCHOLBZTOVEHM-IHRRRGAJSA-N 2 0 240.391 1.611 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+](CCCCCO)C2)C1 ZINC000309346833 173168611 /nfs/dbraw/zinc/16/86/11/173168611.db2.gz MJHXGNXCSVCPNH-ZDUSSCGKSA-N 2 0 226.364 1.177 20 0 BDADRP C[N@H+]1C[C@@H]2C[NH+](C[C@H]3CCSC3)C[C@@H]2C1 ZINC000365941501 173197577 /nfs/dbraw/zinc/19/75/77/173197577.db2.gz OQGNWDKDBAZZLC-UTUOFQBUSA-N 2 0 226.389 1.233 20 0 BDADRP C[NH2+]CC1CC[NH+](CCOCC(C)C)CC1 ZINC000234361684 173338684 /nfs/dbraw/zinc/33/86/84/173338684.db2.gz SYZXCSALYVGYKR-UHFFFAOYSA-N 2 0 228.380 1.590 20 0 BDADRP C[NH2+]CC1CC[NH+](CC2CCOCC2)CC1 ZINC000052173180 173338933 /nfs/dbraw/zinc/33/89/33/173338933.db2.gz ZXYPCAJLCZVQHC-UHFFFAOYSA-N 2 0 226.364 1.344 20 0 BDADRP C[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000042409335 173347492 /nfs/dbraw/zinc/34/74/92/173347492.db2.gz YKYSDSYONRAGOI-UHFFFAOYSA-N 2 0 247.386 1.414 20 0 BDADRP C[NH2+]CCCNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000121220292 173348032 /nfs/dbraw/zinc/34/80/32/173348032.db2.gz REEJCEJKTCJZRM-WCQYABFASA-N 2 0 249.358 1.048 20 0 BDADRP C[NH2+]CCC[NH2+]Cc1ccc(F)c(C)c1 ZINC000083346351 173348708 /nfs/dbraw/zinc/34/87/08/173348708.db2.gz ZYNBIJHZYRKBQB-UHFFFAOYSA-N 2 0 210.296 1.833 20 0 BDADRP C[NH2+]CCC[NH2+]Cc1cc(F)ccc1C ZINC000083346352 173349124 /nfs/dbraw/zinc/34/91/24/173349124.db2.gz HWPVTFMNSBCYGO-UHFFFAOYSA-N 2 0 210.296 1.833 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](CCOC(C)C)C1 ZINC000049260913 173368170 /nfs/dbraw/zinc/36/81/70/173368170.db2.gz GWRAVWKYKAHMFB-LBPRGKRZSA-N 2 0 214.353 1.343 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000359224018 173368309 /nfs/dbraw/zinc/36/83/09/173368309.db2.gz SOFIINONFGLXLC-AWEZNQCLSA-N 3 0 239.407 1.308 20 0 BDADRP C[NH2+]C[C@@H]1CCCN1CCOc1ccccc1 ZINC000019933429 173369330 /nfs/dbraw/zinc/36/93/30/173369330.db2.gz YKLQQWTWNYGEBI-ZDUSSCGKSA-N 2 0 234.343 1.749 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000053033140 173370658 /nfs/dbraw/zinc/37/06/58/173370658.db2.gz JZDLYSKDBHDECT-RYUDHWBXSA-N 2 0 212.337 1.097 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](CCOc2ccccc2C)C1 ZINC000071147367 173381481 /nfs/dbraw/zinc/38/14/81/173381481.db2.gz HQDKMBJGBDELTD-CQSZACIVSA-N 2 0 248.370 1.915 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](CCc2scnc2C)C1 ZINC000070800126 173382322 /nfs/dbraw/zinc/38/23/22/173382322.db2.gz FZBJZYLPJULFIO-LLVKDONJSA-N 2 0 239.388 1.535 20 0 BDADRP C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000019777137 173388825 /nfs/dbraw/zinc/38/88/25/173388825.db2.gz GRJDZFHWJRJESZ-UHFFFAOYSA-N 2 0 234.343 1.881 20 0 BDADRP COC1CCC([N@H+](C)CC2CC[NH2+]CC2)CC1 ZINC000135297289 174021880 /nfs/dbraw/zinc/02/18/80/174021880.db2.gz VFHNWDFJTIWASO-UHFFFAOYSA-N 2 0 240.391 1.875 20 0 BDADRP COCC1(C[NH2+][C@H]2CC[C@@H](C)C2)CC[NH2+]CC1 ZINC000234715696 174105978 /nfs/dbraw/zinc/10/59/78/174105978.db2.gz UGHXYFNGRQFAPM-OLZOCXBDSA-N 2 0 240.391 1.781 20 0 BDADRP COCC1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000070081201 174118723 /nfs/dbraw/zinc/11/87/23/174118723.db2.gz SXTVDRPBKSLLCK-UHFFFAOYSA-N 2 0 240.391 1.735 20 0 BDADRP COCC1CC[NH+](C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000234585526 174119846 /nfs/dbraw/zinc/11/98/46/174119846.db2.gz ALKBVOAXVMKQIM-OCCSQVGLSA-N 2 0 240.391 1.733 20 0 BDADRP COCCCCC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360567045 174179788 /nfs/dbraw/zinc/17/97/88/174179788.db2.gz CFOIPCVBCHVDLM-ZDUSSCGKSA-N 2 0 226.364 1.489 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000336778277 174275721 /nfs/dbraw/zinc/27/57/21/174275721.db2.gz KXPJTFWTUYGRGX-JHJVBQTASA-N 2 0 228.380 1.589 20 0 BDADRP COCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363257439 174318816 /nfs/dbraw/zinc/31/88/16/174318816.db2.gz XPIRAWZYDMBUGW-UPJWGTAASA-N 2 0 224.348 1.049 20 0 BDADRP COCC[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000045038806 174405868 /nfs/dbraw/zinc/40/58/68/174405868.db2.gz NDNMLGROEKHAES-NSHDSACASA-N 2 0 214.353 1.343 20 0 BDADRP COc1ccc(CC[N@@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000011891373 175091110 /nfs/dbraw/zinc/09/11/10/175091110.db2.gz UJKZQQAKTDPEPC-ZDUSSCGKSA-N 2 0 234.343 1.518 20 0 BDADRP COc1ccc(C[NH2+][C@@H](C)CCC[NH3+])cn1 ZINC000336654677 175109459 /nfs/dbraw/zinc/10/94/59/175109459.db2.gz KCJSKXXIRIJIIK-JTQLQIEISA-N 2 0 223.320 1.307 20 0 BDADRP COc1ccsc1C[NH2+][C@@H](C)CC[NH3+] ZINC000220502263 175378988 /nfs/dbraw/zinc/37/89/88/175378988.db2.gz ZSGAYJCEAXDIKI-QMMMGPOBSA-N 2 0 214.334 1.584 20 0 BDADRP COc1ccccc1C[C@H](C)[NH2+]CCC[NH3+] ZINC000037713773 175333148 /nfs/dbraw/zinc/33/31/48/175333148.db2.gz PUKUEFBGSOEMQP-NSHDSACASA-N 2 0 222.332 1.565 20 0 BDADRP C[C@@H](c1ccccn1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000100256848 176028060 /nfs/dbraw/zinc/02/80/60/176028060.db2.gz VBWYLAFWDFPCCZ-RYUDHWBXSA-N 2 0 219.332 1.813 20 0 BDADRP C[C@@H]1CCC[C@H]([NH2+]C[C@]2(O)CCN(C)C2)C1 ZINC000309786563 176144703 /nfs/dbraw/zinc/14/47/03/176144703.db2.gz OFOFRRBAKJGJPX-FRRDWIJNSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1NCC1([NH3+])CCCCC1 ZINC000333297636 176185363 /nfs/dbraw/zinc/18/53/63/176185363.db2.gz PNQDDLFENNXBFD-OLZOCXBDSA-N 2 0 239.407 1.626 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000042815565 176278341 /nfs/dbraw/zinc/27/83/41/176278341.db2.gz LKQWPZJICNIJLN-MQYQWHSLSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](O)C(C)(C)C ZINC000305159222 176279051 /nfs/dbraw/zinc/27/90/51/176279051.db2.gz WOIXXHIVVGLFBR-FDYHWXHSSA-N 2 0 242.407 1.712 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1CCCCC[C@@H]1[NH3+] ZINC000332253300 176328327 /nfs/dbraw/zinc/32/83/27/176328327.db2.gz MJSCGEDXRYFSNT-VOAKCMCISA-N 2 0 225.380 1.234 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000353631487 176342283 /nfs/dbraw/zinc/34/22/83/176342283.db2.gz QPKWMJXQFKMUKU-VWYCJHECSA-N 2 0 235.331 1.282 20 0 BDADRP C[C@@H]1C[C@@H](C)C[NH+](CC2CC[NH2+]CC2)C1 ZINC000019470523 176360581 /nfs/dbraw/zinc/36/05/81/176360581.db2.gz KRRSOTORXLAJEV-VXGBXAGGSA-N 2 0 210.365 1.964 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCC1CC[NH2+]CC1 ZINC000359220990 176367364 /nfs/dbraw/zinc/36/73/64/176367364.db2.gz OEVUBBWCCYRVKM-YPMHNXCESA-N 3 0 225.380 1.045 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccc2c1NCC2 ZINC000336225312 176367808 /nfs/dbraw/zinc/36/78/08/176367808.db2.gz ICOAEKLRCQPGON-NEPJUHHUSA-N 2 0 245.370 1.824 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCc1ccccc1 ZINC000122372021 176367979 /nfs/dbraw/zinc/36/79/79/176367979.db2.gz RVXGLJDHMBPUSE-OCCSQVGLSA-N 2 0 218.344 1.898 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCc2nccs2)CC[N@@H+]1C ZINC000127840531 176376193 /nfs/dbraw/zinc/37/61/93/176376193.db2.gz IPLFDPLRWVTZTH-MNOVXSKESA-N 2 0 239.388 1.758 20 0 BDADRP C[C@@H]1C[C@H](NC(=O)c2ccc(C[NH3+])cc2)CC[NH2+]1 ZINC000336318473 176419340 /nfs/dbraw/zinc/41/93/40/176419340.db2.gz BGBMMGGDMGTWKW-ZWNOBZJWSA-N 2 0 247.342 1.016 20 0 BDADRP C[C@H]([NH2+]C1CCN(C)CC1)C1CC[NH+](C)CC1 ZINC000037266963 176830773 /nfs/dbraw/zinc/83/07/73/176830773.db2.gz VRFDNWWGZYFVEH-LBPRGKRZSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@H]([NH2+]CCCC[NH+](C)C)[C@]1(C)CCCO1 ZINC000336746583 176842929 /nfs/dbraw/zinc/84/29/29/176842929.db2.gz RMMPWLNXWBMJKR-STQMWFEESA-N 2 0 228.380 1.875 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000336667500 176909841 /nfs/dbraw/zinc/90/98/41/176909841.db2.gz DTLZGFQOTKHWAR-WOPDTQHZSA-N 2 0 214.353 1.661 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000331928456 177001047 /nfs/dbraw/zinc/00/10/47/177001047.db2.gz HIHPMLLRVYVKAJ-YFKTTZPYSA-N 2 0 214.353 1.395 20 0 BDADRP C[C@H](c1ccccn1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000100256731 177043775 /nfs/dbraw/zinc/04/37/75/177043775.db2.gz CCRHYKVWDFJYEC-MNOVXSKESA-N 2 0 205.305 1.423 20 0 BDADRP C[C@H](c1cccnc1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527597 177046411 /nfs/dbraw/zinc/04/64/11/177046411.db2.gz ZCJWRLPSNNPVIB-VXGBXAGGSA-N 2 0 219.332 1.813 20 0 BDADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)CC[NH3+] ZINC000237496662 177075294 /nfs/dbraw/zinc/07/52/94/177075294.db2.gz XPQFUZMOIZDJDC-LBPRGKRZSA-N 2 0 241.379 1.106 20 0 BDADRP C[C@H]1CCC[N@H+](CCC2CC[NH2+]CC2)[C@@H]1CN ZINC000359209661 177098267 /nfs/dbraw/zinc/09/82/67/177098267.db2.gz DFIYGYWQIBNRAC-GXTWGEPZSA-N 2 0 239.407 1.435 20 0 BDADRP C[C@H]1CC[C@H](C[NH+]2CCC(C[NH+](C)C)CC2)O1 ZINC000336694374 177201817 /nfs/dbraw/zinc/20/18/17/177201817.db2.gz KZTSETRJWATEMT-GXTWGEPZSA-N 2 0 240.391 1.828 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCc1ccccn1 ZINC000358310761 177233733 /nfs/dbraw/zinc/23/37/33/177233733.db2.gz WXRHNZLLGZYCOD-DZGCQCFKSA-N 2 0 247.386 1.944 20 0 BDADRP C[C@H](CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)C[NH+](C)C ZINC000336722164 177239199 /nfs/dbraw/zinc/23/91/99/177239199.db2.gz STRKIVJOUIRNCD-XJFOESAGSA-N 2 0 241.423 1.502 20 0 BDADRP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000133255551 177254753 /nfs/dbraw/zinc/25/47/53/177254753.db2.gz PRXNNBAHHAVDAE-FRRDWIJNSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H]1C[N@H+](Cc2cccs2)CC[C@@H]1[NH3+] ZINC000049712680 177267745 /nfs/dbraw/zinc/26/77/45/177267745.db2.gz KKIYSSXHIBHNQU-ONGXEEELSA-N 2 0 210.346 1.917 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCc2cn[nH]c2)CC[N@@H+]1C ZINC000289740571 177332280 /nfs/dbraw/zinc/33/22/80/177332280.db2.gz KOXMEOLSQLDEGO-JQWIXIFHSA-N 2 0 222.336 1.025 20 0 BDADRP C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1CCOCC[NH3+] ZINC000357077011 177339630 /nfs/dbraw/zinc/33/96/30/177339630.db2.gz IZONBHGLFBAUFS-DZGCQCFKSA-N 2 0 248.370 1.840 20 0 BDADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(N)=[NH2+])C1 ZINC000303264341 177358129 /nfs/dbraw/zinc/35/81/29/177358129.db2.gz SEUMNNWRBAVHOA-QWRGUYRKSA-N 2 0 226.368 1.228 20 0 BDADRP C[C@H]1C[C@H](C[N@H+](C)Cc2cscn2)CC[NH2+]1 ZINC000235660313 177361147 /nfs/dbraw/zinc/36/11/47/177361147.db2.gz DKNZABGOQMHYJH-WDEREUQCSA-N 2 0 239.388 1.963 20 0 BDADRP C[C@H]1C[C@H](C[N@H+](C)Cc2cnn(C)c2)CC[NH2+]1 ZINC000235660188 177361397 /nfs/dbraw/zinc/36/13/97/177361397.db2.gz XMTQVRCUQVIQIJ-NWDGAFQWSA-N 2 0 236.363 1.240 20 0 BDADRP C[C@H]1C[C@H](C[N@@H+]2CCOCC2(C)C)CC[NH2+]1 ZINC000235662306 177362449 /nfs/dbraw/zinc/36/24/49/177362449.db2.gz ANNDEBCMAWPCFP-NWDGAFQWSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H]1C[C@H]([N@H+](C)Cc2ccn(C)c2)CCN1C ZINC000093644198 177365246 /nfs/dbraw/zinc/36/52/46/177365246.db2.gz CRKBSLYNJBDLCU-GXTWGEPZSA-N 2 0 235.375 1.940 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCC(C)(C)O ZINC000336680930 177368858 /nfs/dbraw/zinc/36/88/58/177368858.db2.gz XVHATPDBINZPTJ-WOPDTQHZSA-N 2 0 228.380 1.466 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCCn2ccnc2)c2nccn21 ZINC000294138862 177369592 /nfs/dbraw/zinc/36/95/92/177369592.db2.gz PFLVPIYZRJOEPI-RYUDHWBXSA-N 2 0 245.330 1.765 20 0 BDADRP c1ccc2c(c1)CC[NH+](C[C@H]1CC[NH2+]C1)CC2 ZINC000079572232 487642845 /nfs/dbraw/zinc/64/28/45/487642845.db2.gz DLKLQEREHNLNKQ-ZDUSSCGKSA-N 2 0 230.355 1.697 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCN2C)CS1 ZINC000226014039 487643755 /nfs/dbraw/zinc/64/37/55/487643755.db2.gz HKANFNBLDFAWTL-AXFHLTTASA-N 2 0 214.378 1.564 20 0 BDADRP C[NH+](C)CCOCC[NH2+]C/C=C\c1ccncc1 ZINC000487569531 225315131 /nfs/dbraw/zinc/31/51/31/225315131.db2.gz GMTJUSWKFDWFHA-ARJAWSKDSA-N 2 0 249.358 1.263 20 0 BDADRP CN1CCC[C@H]1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000226017483 487643961 /nfs/dbraw/zinc/64/39/61/487643961.db2.gz XTCSEBDHTWAFJC-FRRDWIJNSA-N 2 0 225.380 1.188 20 0 BDADRP C[NH+](C)CCN(CCC[NH3+])C1CCCC1 ZINC000034960480 487644929 /nfs/dbraw/zinc/64/49/29/487644929.db2.gz NJTBKROFUXWYAA-UHFFFAOYSA-N 2 0 213.369 1.141 20 0 BDADRP C[NH+](C)CC1(NC(=O)/C=C\c2ncc[nH]2)CCC1 ZINC000493682957 226249228 /nfs/dbraw/zinc/24/92/28/226249228.db2.gz BQWNOHKPCKWZPV-PLNGDYQASA-N 2 0 248.330 1.023 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1O)[C@H]1CCC[NH2+]1 ZINC000400326232 226340870 /nfs/dbraw/zinc/34/08/70/226340870.db2.gz CJPFSDRMOHPKLP-WUHRBBMRSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@@H]([NH2+]CC[C@H](C)CCO)[C@@H]1CCC[NH2+]1 ZINC000400448327 226343855 /nfs/dbraw/zinc/34/38/55/226343855.db2.gz QDZDQDRXDVKLHR-TUAOUCFPSA-N 2 0 214.353 1.125 20 0 BDADRP CSCCCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400691869 226349727 /nfs/dbraw/zinc/34/97/27/226349727.db2.gz ZGLAJOQXPXEBMJ-QWRGUYRKSA-N 2 0 216.394 1.860 20 0 BDADRP C[C@H](NCC[NH+]1CCCCCC1)[C@@H]1CCC[NH2+]1 ZINC000400704786 226349817 /nfs/dbraw/zinc/34/98/17/226349817.db2.gz KQLLEOLCZGBVOZ-KBPBESRZSA-N 2 0 239.407 1.593 20 0 BDADRP C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000400737835 226350685 /nfs/dbraw/zinc/35/06/85/226350685.db2.gz SBCMXWLZTMSTBV-WUHRBBMRSA-N 2 0 225.380 1.199 20 0 BDADRP CCOCCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000226029902 487653798 /nfs/dbraw/zinc/65/37/98/487653798.db2.gz YPIQQQOWGFMRJP-NWDGAFQWSA-N 2 0 214.353 1.472 20 0 BDADRP CCOCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000226029175 487654360 /nfs/dbraw/zinc/65/43/60/487654360.db2.gz YRYLSENWZNCVFI-WDEREUQCSA-N 2 0 200.326 1.082 20 0 BDADRP C[C@@H](NC(=O)C[C@@H]1[NH2+]Cc2ccccc21)[C@H](C)[NH3+] ZINC000662568283 487660760 /nfs/dbraw/zinc/66/07/60/487660760.db2.gz QSYCHHXWOYNPFZ-CWSCBRNRSA-N 2 0 247.342 1.073 20 0 BDADRP CCC[NH2+]CC[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000643515091 487661678 /nfs/dbraw/zinc/66/16/78/487661678.db2.gz BMUCJHWBYKJQQS-RYUDHWBXSA-N 2 0 214.353 1.533 20 0 BDADRP CC(C)[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000383730591 487669081 /nfs/dbraw/zinc/66/90/81/487669081.db2.gz GXJQXRSTCRLFRZ-KBPBESRZSA-N 2 0 242.407 1.808 20 0 BDADRP C[C@@H]1C[C@@H](CNc2ccc(C[NH3+])cc2)CC[NH2+]1 ZINC000414918415 262752730 /nfs/dbraw/zinc/75/27/30/262752730.db2.gz YPCFACGBSOFMQL-YPMHNXCESA-N 2 0 233.359 1.945 20 0 BDADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCCc1cncn1C ZINC000314899754 487670346 /nfs/dbraw/zinc/67/03/46/487670346.db2.gz NFIBPAIYIDAVCX-NWDGAFQWSA-N 2 0 236.363 1.164 20 0 BDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)C[C@H](C)[NH3+])cc1 ZINC000637861410 487680548 /nfs/dbraw/zinc/68/05/48/487680548.db2.gz SMLWIAPYGCQSBT-VHSXEESVSA-N 2 0 235.331 1.060 20 0 BDADRP C[C@H]1C[C@H]([NH3+])CCN1CCOCC(F)(F)F ZINC000082627639 487699842 /nfs/dbraw/zinc/69/98/42/487699842.db2.gz VWYGISHUILXXDS-DTWKUNHWSA-N 2 0 240.269 1.377 20 0 BDADRP C[N@H+](C[C@@H]1CC[NH2+]C1)C[C@H]1CCCCO1 ZINC000250448887 487732842 /nfs/dbraw/zinc/73/28/42/487732842.db2.gz VDXNTTATJSUJCG-VXGBXAGGSA-N 2 0 212.337 1.097 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CCCO1 ZINC000250631731 487737455 /nfs/dbraw/zinc/73/74/55/487737455.db2.gz DEOZPXZMRLMUES-QJPTWQEYSA-N 2 0 212.337 1.273 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)[NH3+])C1(C)C ZINC000233766636 487739858 /nfs/dbraw/zinc/73/98/58/487739858.db2.gz VUULUWLACQZUCG-KXUCPTDWSA-N 2 0 200.326 1.127 20 0 BDADRP C[C@H]1[N@H+](CCC[NH3+])CCC12CCOCC2 ZINC000334837161 487775619 /nfs/dbraw/zinc/77/56/19/487775619.db2.gz JWFNMOXYDFEVIL-LLVKDONJSA-N 2 0 212.337 1.226 20 0 BDADRP C[C@H]1C[N@H+](CCOCc2ccccc2)CC[C@H]1[NH3+] ZINC000309863599 487775928 /nfs/dbraw/zinc/77/59/28/487775928.db2.gz DVSONRLBXFMHHN-DZGCQCFKSA-N 2 0 248.370 1.872 20 0 BDADRP CC[C@H](C(=O)N(C)CCCC[NH+](C)C)[NH+](C)C ZINC000675801302 487780477 /nfs/dbraw/zinc/78/04/77/487780477.db2.gz CENKEZOBLCLMRS-GFCCVEGCSA-N 2 0 243.395 1.127 20 0 BDADRP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCCOC3)CC[C@@H]21 ZINC000675983298 487797929 /nfs/dbraw/zinc/79/79/29/487797929.db2.gz PBERLFULPMERJY-MCIONIFRSA-N 2 0 238.375 1.582 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@H]2CCOC2)CC[C@H]1[NH3+] ZINC000251879939 487804734 /nfs/dbraw/zinc/80/47/34/487804734.db2.gz VDFJSUUYPJRFCB-IJLUTSLNSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@H]([NH2+]CCC[NH3+])[C@H]1COc2ccccc21 ZINC000415088250 487809268 /nfs/dbraw/zinc/80/92/68/487809268.db2.gz VYJATYOEKRCNIY-CMPLNLGQSA-N 2 0 220.316 1.490 20 0 BDADRP c1cc2c(c(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)c1)CCC2 ZINC000651651996 487812549 /nfs/dbraw/zinc/81/25/49/487812549.db2.gz RPLNYGQPEZORSK-HUUCEWRRSA-N 2 0 242.366 1.827 20 0 BDADRP [NH3+]CCC[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000414699054 487817369 /nfs/dbraw/zinc/81/73/69/487817369.db2.gz DVXGFSYAHJHBHJ-NEPJUHHUSA-N 2 0 212.337 1.084 20 0 BDADRP [NH3+]CCC[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000414699057 487817569 /nfs/dbraw/zinc/81/75/69/487817569.db2.gz DVXGFSYAHJHBHJ-RYUDHWBXSA-N 2 0 212.337 1.084 20 0 BDADRP CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)CCC[NH3+] ZINC000414702206 487818590 /nfs/dbraw/zinc/81/85/90/487818590.db2.gz HTRCEOKNODABCM-VXGBXAGGSA-N 2 0 228.380 1.861 20 0 BDADRP [NH3+]CCC[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000414754085 487821157 /nfs/dbraw/zinc/82/11/57/487821157.db2.gz FQULRPDDKMETCV-GFCCVEGCSA-N 2 0 212.337 1.226 20 0 BDADRP CC(C)c1ccc([C@H]([NH3+])CNCCC[NH3+])cc1 ZINC000414835351 487825565 /nfs/dbraw/zinc/82/55/65/487825565.db2.gz RPISDUKBNHRDFM-CQSZACIVSA-N 2 0 235.375 1.748 20 0 BDADRP Cc1ccc(C[NH2+]CC2(C)CC[NH2+]CC2)cn1 ZINC000414913283 487827599 /nfs/dbraw/zinc/82/75/99/487827599.db2.gz VXRIKMVZLUFNEI-UHFFFAOYSA-N 2 0 233.359 1.869 20 0 BDADRP CCO[C@@H]1C[N@H+](CCSCC)C[C@H]1C[NH3+] ZINC000405840991 487832480 /nfs/dbraw/zinc/83/24/80/487832480.db2.gz FNENAGDHDBVSJT-GHMZBOCLSA-N 2 0 232.393 1.035 20 0 BDADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@](C)([NH3+])CCC)C1 ZINC000389737948 487834040 /nfs/dbraw/zinc/83/40/40/487834040.db2.gz LFSZXPAVXYCAOZ-YPMHNXCESA-N 2 0 241.379 1.104 20 0 BDADRP CC(C)CC[NH+]1CCC(C[NH2+]CCC[NH3+])CC1 ZINC000415082064 487835774 /nfs/dbraw/zinc/83/57/74/487835774.db2.gz LQRZFRMFQUMNBZ-UHFFFAOYSA-N 3 0 241.423 1.683 20 0 BDADRP CC(C)[C@@H]([NH2+]CCC[NH3+])C1(CO)CCCC1 ZINC000415104732 487837774 /nfs/dbraw/zinc/83/77/74/487837774.db2.gz LKIFBXFHFKRBTE-GFCCVEGCSA-N 2 0 228.380 1.502 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H]2CCSC2)CC[C@@H]1[NH3+] ZINC000224620609 487848666 /nfs/dbraw/zinc/84/86/66/487848666.db2.gz INXFWLATGFKOAH-TUAOUCFPSA-N 2 0 228.405 1.799 20 0 BDADRP C[C@H]1C[C@@H](C[NH2+]C2(CO)CCCCC2)CC[NH2+]1 ZINC000666654996 487852109 /nfs/dbraw/zinc/85/21/09/487852109.db2.gz YHPQYVBUCSTGCF-STQMWFEESA-N 2 0 240.391 1.659 20 0 BDADRP [NH3+]CCC[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000666693963 487862114 /nfs/dbraw/zinc/86/21/14/487862114.db2.gz URVSFYIXEGKIKE-CYBMUJFWSA-N 2 0 219.332 1.295 20 0 BDADRP [NH3+]CCC[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000666693964 487862244 /nfs/dbraw/zinc/86/22/44/487862244.db2.gz URVSFYIXEGKIKE-ZDUSSCGKSA-N 2 0 219.332 1.295 20 0 BDADRP [NH3+]CCC[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000666701902 487862803 /nfs/dbraw/zinc/86/28/03/487862803.db2.gz CFPMZZKXPCOHEE-CYBMUJFWSA-N 2 0 238.306 1.628 20 0 BDADRP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)CC)C1CC1 ZINC000323803436 487874167 /nfs/dbraw/zinc/87/41/67/487874167.db2.gz HCWJLQHBQSMWHG-RYUDHWBXSA-N 2 0 214.353 1.077 20 0 BDADRP COC[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000053199443 487883983 /nfs/dbraw/zinc/88/39/83/487883983.db2.gz ZXOFPQQLHQYSMJ-AVGNSLFASA-N 2 0 226.364 1.485 20 0 BDADRP O[C@@H](C[NH2+]CCCC1CC1)C[NH+]1CCCC1 ZINC000156973521 487886642 /nfs/dbraw/zinc/88/66/42/487886642.db2.gz MQDOFIRRMIMXMC-ZDUSSCGKSA-N 2 0 226.364 1.223 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000666826292 487887297 /nfs/dbraw/zinc/88/72/97/487887297.db2.gz UEQZNVLCUXMYKR-RYUDHWBXSA-N 2 0 234.343 1.737 20 0 BDADRP CC[C@@H]1C[N@H+](CC2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000403813908 487890348 /nfs/dbraw/zinc/89/03/48/487890348.db2.gz LKFKCGZCJZYCQD-WCQYABFASA-N 2 0 226.364 1.485 20 0 BDADRP COC[C@H](CC(C)C)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666857867 487891629 /nfs/dbraw/zinc/89/16/29/487891629.db2.gz NFVFPDYZGKXZTR-OLZOCXBDSA-N 2 0 228.380 1.779 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cnc3ccccn23)C1 ZINC000666852279 487891240 /nfs/dbraw/zinc/89/12/40/487891240.db2.gz YLVAJBNTNDYOJV-VXGBXAGGSA-N 2 0 244.342 1.694 20 0 BDADRP CC[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)[C@@H](C)CO1 ZINC000403809732 487891719 /nfs/dbraw/zinc/89/17/19/487891719.db2.gz KJHULAXKYXSEMQ-BFHYXJOUSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1C[C@H]1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666993845 487902028 /nfs/dbraw/zinc/90/20/28/487902028.db2.gz NXTKYPWVADBOKJ-WOPDTQHZSA-N 2 0 208.349 1.907 20 0 BDADRP Cc1ccsc1C[NH2+]C[C@@H]1C[C@H](F)CN1 ZINC000666945176 487910594 /nfs/dbraw/zinc/91/05/94/487910594.db2.gz BMCONOYKLKMJFY-UWVGGRQHSA-N 2 0 228.336 1.846 20 0 BDADRP COC[C@@H](C)C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666953713 487916017 /nfs/dbraw/zinc/91/60/17/487916017.db2.gz FURLDCXCTFNTFL-QWRGUYRKSA-N 2 0 212.337 1.001 20 0 BDADRP CC(C)n1nccc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666953770 487916183 /nfs/dbraw/zinc/91/61/83/487916183.db2.gz HKLDICJTVLZLOB-ZDUSSCGKSA-N 2 0 248.374 1.696 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666955472 487917013 /nfs/dbraw/zinc/91/70/13/487917013.db2.gz NPLONZCISCHOMM-AGIUHOORSA-N 3 0 237.391 1.249 20 0 BDADRP CC(C)(C)[NH2+]CCN[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666993811 487923430 /nfs/dbraw/zinc/92/34/30/487923430.db2.gz LIBXUNIMITUMTK-LBPRGKRZSA-N 2 0 239.407 1.639 20 0 BDADRP Cc1cnccc1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000229658783 487935430 /nfs/dbraw/zinc/93/54/30/487935430.db2.gz ZTMIEWBFIISWQN-JSGCOSHPSA-N 2 0 233.359 1.997 20 0 BDADRP c1cnn(CC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000049326182 487946917 /nfs/dbraw/zinc/94/69/17/487946917.db2.gz HQBDXROEGDIWGG-KGLIPLIRSA-N 2 0 248.374 1.347 20 0 BDADRP Cc1[nH]nc2ncc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc12 ZINC000566230126 322976680 /nfs/dbraw/zinc/97/66/80/322976680.db2.gz JPEPAMMZICUYIB-RKDXNWHRSA-N 2 0 247.346 1.482 20 0 BDADRP COC[C@@H](C)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000134896537 323025968 /nfs/dbraw/zinc/02/59/68/323025968.db2.gz IMRDIFXEXDGJDU-CHWSQXEVSA-N 2 0 228.380 1.875 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CS1 ZINC000306873754 323032551 /nfs/dbraw/zinc/03/25/51/323032551.db2.gz YHVBKUSZKZTBLS-ZNSHCXBVSA-N 2 0 214.378 1.740 20 0 BDADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000562962865 323036673 /nfs/dbraw/zinc/03/66/73/323036673.db2.gz UUZMCCOCFUTKAS-WZRBSPASSA-N 2 0 248.374 1.657 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000569708561 323038142 /nfs/dbraw/zinc/03/81/42/323038142.db2.gz PCVWNKIKOQTXKV-DDHJBXDOSA-N 2 0 212.337 1.149 20 0 BDADRP CC(C)C(=O)NCCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000569825394 323041982 /nfs/dbraw/zinc/04/19/82/323041982.db2.gz PGGASKYVOKUKRB-RYUDHWBXSA-N 2 0 241.379 1.008 20 0 BDADRP Cc1cc(C)n2c(CN(C)CCC[NH3+])cnc2n1 ZINC000569845606 323042474 /nfs/dbraw/zinc/04/24/74/323042474.db2.gz JZLSGIRTZOKGOR-UHFFFAOYSA-N 2 0 247.346 1.127 20 0 BDADRP CC(C)[NH+](CCC[NH2+][C@@H](C)[C@@H](C)O)C(C)C ZINC000570156008 323051227 /nfs/dbraw/zinc/05/12/27/323051227.db2.gz UOHNIINQXBBSSV-QWHCGFSZSA-N 2 0 230.396 1.854 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@]2(C)CCC[NH2+]2)cc1 ZINC000570264434 323054227 /nfs/dbraw/zinc/05/42/27/323054227.db2.gz JBKUUMWTYJPHSG-QMTHXVAHSA-N 2 0 247.342 1.787 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@@]2(C)CCC[NH2+]2)cc1 ZINC000570264433 323054238 /nfs/dbraw/zinc/05/42/38/323054238.db2.gz JBKUUMWTYJPHSG-IINYFYTJSA-N 2 0 247.342 1.787 20 0 BDADRP C[C@@H]1C[C@H](C[NH+]2CCC(CCO)CC2)CC[NH2+]1 ZINC000570380589 323057790 /nfs/dbraw/zinc/05/77/90/323057790.db2.gz LLSWEAAXMSMMLB-TZMCWYRMSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@@H]1C[C@@H](C[NH+]2CCC(CCO)CC2)CC[NH2+]1 ZINC000570380588 323057849 /nfs/dbraw/zinc/05/78/49/323057849.db2.gz LLSWEAAXMSMMLB-OCCSQVGLSA-N 2 0 240.391 1.469 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+]CC2CC[NH2+]CC2)C12CCC2 ZINC000570507861 323061647 /nfs/dbraw/zinc/06/16/47/323061647.db2.gz HYUQELPMLQEWGN-QWHCGFSZSA-N 2 0 238.375 1.533 20 0 BDADRP [NH3+]Cc1ccc(CN[C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000570802246 323070807 /nfs/dbraw/zinc/07/08/07/323070807.db2.gz BKVQMOAXQBZUOM-HUUCEWRRSA-N 2 0 247.386 1.895 20 0 BDADRP [NH3+]C1(c2noc([C@@H]3CC34C[NH2+]C4)n2)CCCCC1 ZINC000562969340 323076137 /nfs/dbraw/zinc/07/61/37/323076137.db2.gz DKNJVXKETILRMS-VIFPVBQESA-N 2 0 248.330 1.265 20 0 BDADRP CC(C)COCC[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397301887 323090296 /nfs/dbraw/zinc/09/02/96/323090296.db2.gz KRWQRTRINBFFTJ-RDBSUJKOSA-N 2 0 242.407 1.964 20 0 BDADRP C[C@@H](CCCC[NH3+])NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000563116622 323093344 /nfs/dbraw/zinc/09/33/44/323093344.db2.gz LHSRLNFBRIVGPZ-NWDGAFQWSA-N 2 0 241.379 1.010 20 0 BDADRP [NH3+]CCC[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000563135451 323094611 /nfs/dbraw/zinc/09/46/11/323094611.db2.gz MNZCUBZRXPUVHC-GFCCVEGCSA-N 2 0 205.305 1.220 20 0 BDADRP CC[NH2+]Cc1ccccc1NC(=O)CC[NH2+]C ZINC000563146265 323095516 /nfs/dbraw/zinc/09/55/16/323095516.db2.gz REPOBRNLJIUMOF-UHFFFAOYSA-N 2 0 235.331 1.344 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccnc(N)c2)C1 ZINC000563154089 323095777 /nfs/dbraw/zinc/09/57/77/323095777.db2.gz FVBLLNLFYITXJJ-ZYHUDNBSSA-N 2 0 234.347 1.053 20 0 BDADRP Cc1cc(C[NH2+][C@H](C)CCC[NH3+])ccn1 ZINC000391188230 323099499 /nfs/dbraw/zinc/09/94/99/323099499.db2.gz OCDZGNUHOKWDFJ-SNVBAGLBSA-N 2 0 207.321 1.607 20 0 BDADRP COC[C@H](C)C[NH2+][C@@H](C)CC[NH+](C)C ZINC000123177053 323101868 /nfs/dbraw/zinc/10/18/68/323101868.db2.gz YLNIYNYQAYOJIY-MNOVXSKESA-N 2 0 202.342 1.199 20 0 BDADRP COC[C@@H](CC(C)C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000531716362 323112131 /nfs/dbraw/zinc/11/21/31/323112131.db2.gz SYHQXURCNQCQTE-ZIAGYGMSSA-N 2 0 242.407 1.979 20 0 BDADRP Cc1ccc(CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000563427343 323126210 /nfs/dbraw/zinc/12/62/10/323126210.db2.gz YZGBQJOUZSUZGR-KBPBESRZSA-N 2 0 233.359 1.792 20 0 BDADRP Cn1ccc(C[NH2+]CCCC[N@H+](C)C2CC2)n1 ZINC000563510001 323128326 /nfs/dbraw/zinc/12/83/26/323128326.db2.gz GKBRIHNDUPORBG-UHFFFAOYSA-N 2 0 236.363 1.384 20 0 BDADRP CC[NH+]1CCC(C[NH2+]C[C@@H](O)C(C)(C)C)CC1 ZINC000310214346 323128553 /nfs/dbraw/zinc/12/85/53/323128553.db2.gz HYMWOEROBCLLSF-CYBMUJFWSA-N 2 0 242.407 1.715 20 0 BDADRP CC[C@H](C)N(C)CC[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000247088524 323131912 /nfs/dbraw/zinc/13/19/12/323131912.db2.gz RKOFEVNHNWYZGE-YNEHKIRRSA-N 2 0 228.380 1.731 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1NCC[C@H]1CCC[NH2+]1 ZINC000571157211 323136973 /nfs/dbraw/zinc/13/69/73/323136973.db2.gz RZUMCJRALUQBNR-JHJVBQTASA-N 2 0 225.380 1.236 20 0 BDADRP CC[C@H]([NH3+])C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000571300987 323140857 /nfs/dbraw/zinc/14/08/57/323140857.db2.gz BXPQHSZVZVHPNW-NSHDSACASA-N 2 0 233.315 1.008 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CCCN(CC[NH2+]C(C)(C)C)C1 ZINC000414659027 323151043 /nfs/dbraw/zinc/15/10/43/323151043.db2.gz MGHNMIRFCRPCOE-VXGBXAGGSA-N 2 0 227.396 1.434 20 0 BDADRP CC[NH2+]CC1CCN(C[C@@H]([NH3+])CC(C)C)CC1 ZINC000414658826 323151071 /nfs/dbraw/zinc/15/10/71/323151071.db2.gz KBADKYFLDBRZBC-AWEZNQCLSA-N 2 0 241.423 1.681 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC[NH2+]1 ZINC000414668581 323151176 /nfs/dbraw/zinc/15/11/76/323151176.db2.gz JILMNXHNECIXPP-PEBLQZBPSA-N 3 0 237.391 1.044 20 0 BDADRP Cn1cc(C(C)(C)[NH2+]CC2CC[NH2+]CC2)cn1 ZINC000567166911 323153493 /nfs/dbraw/zinc/15/34/93/323153493.db2.gz WQWAQEPGUAQPOG-UHFFFAOYSA-N 2 0 236.363 1.244 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000398566661 323186708 /nfs/dbraw/zinc/18/67/08/323186708.db2.gz DSOIASNLXATGBD-YIYPIFLZSA-N 2 0 242.407 1.856 20 0 BDADRP CC[NH+]1CCC(C[NH2+]C[C@H]2C[C@H]2C)CC1 ZINC000309034386 323197386 /nfs/dbraw/zinc/19/73/86/323197386.db2.gz HFFFAXCMPFJGPT-DGCLKSJQSA-N 2 0 210.365 1.964 20 0 BDADRP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C1CCC1 ZINC000324767542 323281022 /nfs/dbraw/zinc/28/10/22/323281022.db2.gz BURJMLSQAFKFQX-KBPBESRZSA-N 2 0 240.391 1.611 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2O)C1 ZINC000572303596 323590850 /nfs/dbraw/zinc/59/08/50/323590850.db2.gz PCVWNKIKOQTXKV-BJDJZHNGSA-N 2 0 212.337 1.149 20 0 BDADRP C1CC2(C1)[NH2+]CC[C@H]2NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000530216034 324532046 /nfs/dbraw/zinc/53/20/46/324532046.db2.gz LYLPJRGANDZQHY-ZGVCCVRISA-N 2 0 235.375 1.144 20 0 BDADRP COCCC1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000530240988 324554123 /nfs/dbraw/zinc/55/41/23/324554123.db2.gz AJAZRNCPUCWRHN-CQSZACIVSA-N 2 0 240.391 1.735 20 0 BDADRP COC[C@@H](C)C[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000131706727 325178446 /nfs/dbraw/zinc/17/84/46/325178446.db2.gz UOPHLHYNWZKKSW-AWEZNQCLSA-N 2 0 242.407 1.981 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H](C)[C@H](C)OC)CC1 ZINC000133288545 325282440 /nfs/dbraw/zinc/28/24/40/325282440.db2.gz SEDXGEMVGNZCGI-RYUDHWBXSA-N 2 0 228.380 1.731 20 0 BDADRP COC[C@H](C)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000134896499 325381496 /nfs/dbraw/zinc/38/14/96/325381496.db2.gz IMRDIFXEXDGJDU-QWHCGFSZSA-N 2 0 228.380 1.875 20 0 BDADRP C/C=C\C[C@H](CO)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000566481544 326055666 /nfs/dbraw/zinc/05/56/66/326055666.db2.gz IJQGSRAJXPQXNK-YFXGRDGWSA-N 2 0 212.337 1.173 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](CO)CC2CCCC2)C1 ZINC000566571451 326065232 /nfs/dbraw/zinc/06/52/32/326065232.db2.gz BJFGLXYVEDGNDW-HZSPNIEDSA-N 2 0 240.391 1.787 20 0 BDADRP CC[C@H](N[C@H]1CO[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000566738679 326078531 /nfs/dbraw/zinc/07/85/31/326078531.db2.gz GZHQZYLKHGYFCZ-USZNOCQGSA-N 2 0 212.337 1.284 20 0 BDADRP [NH3+]C1(C[NH2+]C[C@H]2CCCC[C@@H]2O)CCC1 ZINC000566743220 326079598 /nfs/dbraw/zinc/07/95/98/326079598.db2.gz PGWVXFADYGDPSW-MNOVXSKESA-N 2 0 212.337 1.009 20 0 BDADRP CC(C)[NH2+]CCC[NH2+][C@H](C)CCC[NH3+] ZINC000566849758 326087195 /nfs/dbraw/zinc/08/71/95/326087195.db2.gz CIMRDUCYSQTJRE-LLVKDONJSA-N 3 0 201.358 1.092 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000566867058 326088890 /nfs/dbraw/zinc/08/88/90/326088890.db2.gz TXFWHGRQUKKMLS-ZOBORPQBSA-N 2 0 239.407 1.719 20 0 BDADRP OC1(C[NH2+]Cc2ccc3c[nH+]cn3c2)CCC1 ZINC000567043064 326105356 /nfs/dbraw/zinc/10/53/56/326105356.db2.gz DYNBZPXJGLWYDJ-UHFFFAOYSA-N 2 0 231.299 1.339 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@](C)(O)C1 ZINC000154412068 326143110 /nfs/dbraw/zinc/14/31/10/326143110.db2.gz GOHGRIBFTPUJTC-STQMWFEESA-N 2 0 226.364 1.318 20 0 BDADRP CC(C)[NH2+]CCCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000567639269 326236795 /nfs/dbraw/zinc/23/67/95/326236795.db2.gz CWJPRHIZPSVEQA-CHWSQXEVSA-N 2 0 227.396 1.352 20 0 BDADRP [NH3+][C@H]1CCCc2cn(CC[C@H]3CC[NH2+]C3)nc21 ZINC000567673766 326242587 /nfs/dbraw/zinc/24/25/87/326242587.db2.gz GTXMZBORJWTSNR-PWSUYJOCSA-N 2 0 234.347 1.219 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccn(C)c1 ZINC000157112901 326257272 /nfs/dbraw/zinc/25/72/72/326257272.db2.gz JWHMCUBBZNEYLN-AAEUAGOBSA-N 2 0 221.348 1.455 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]CC2(F)CC2)C1 ZINC000568053500 326301077 /nfs/dbraw/zinc/30/10/77/326301077.db2.gz JRAZJZMFSMCUEW-NXEZZACHSA-N 2 0 200.301 1.596 20 0 BDADRP Cc1noc(C)c1CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000568247224 326333937 /nfs/dbraw/zinc/33/39/37/326333937.db2.gz FPHNJPZBQJCONE-RYUDHWBXSA-N 2 0 237.347 1.693 20 0 BDADRP [NH3+]Cc1ccc(N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000568531909 326364068 /nfs/dbraw/zinc/36/40/68/326364068.db2.gz SRGBQRUWORTNMF-DGCLKSJQSA-N 2 0 219.332 1.827 20 0 BDADRP C[NH2+]CCCSCC1CC[NH2+]CC1 ZINC000568626447 326368383 /nfs/dbraw/zinc/36/83/83/326368383.db2.gz URBWZPSZKSZLIB-UHFFFAOYSA-N 2 0 202.367 1.329 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)CC[C@H]2CC[NH2+]C2)cc1 ZINC000568628845 326368911 /nfs/dbraw/zinc/36/89/11/326368911.db2.gz FVGFJDJAKBXDGX-LBPRGKRZSA-N 2 0 247.342 1.474 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)NCCC[NH2+]C(C)C ZINC000568737895 326374133 /nfs/dbraw/zinc/37/41/33/326374133.db2.gz BQZZLKBHETXUQV-LBPRGKRZSA-N 2 0 229.368 1.008 20 0 BDADRP CC(C)[C@H]([NH2+]CC1=CC[NH2+]CC1)C1CC1 ZINC000568870042 326380399 /nfs/dbraw/zinc/38/03/99/326380399.db2.gz LXJOAMNLAWPFRB-ZDUSSCGKSA-N 2 0 208.349 1.930 20 0 BDADRP Cc1cccc(NCC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000568900759 326382105 /nfs/dbraw/zinc/38/21/05/326382105.db2.gz DYBRRDSGQUVKNU-OLZOCXBDSA-N 2 0 248.374 1.661 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CCC[NH2+]C2)C1 ZINC000573020540 326425039 /nfs/dbraw/zinc/42/50/39/326425039.db2.gz OFFZUXIVALZQDV-JHJVBQTASA-N 3 0 225.380 1.236 20 0 BDADRP C[C@H](C(=O)N(C)CCC[NH3+])[NH+]1CCCCCC1 ZINC000158749730 487974506 /nfs/dbraw/zinc/97/45/06/487974506.db2.gz GNIJWHDDALCYGU-GFCCVEGCSA-N 2 0 241.379 1.058 20 0 BDADRP Cc1ccccc1OCC[NH2+]CCC[NH3+] ZINC000309537557 487983700 /nfs/dbraw/zinc/98/37/00/487983700.db2.gz FOQBFHHZPKBQRV-UHFFFAOYSA-N 2 0 208.305 1.312 20 0 BDADRP FC(F)(F)CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401061662 488024837 /nfs/dbraw/zinc/02/48/37/488024837.db2.gz JNWGMJYCIHYDRH-OPRDCNLKSA-N 2 0 236.281 1.917 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(C)C ZINC000401061368 488025281 /nfs/dbraw/zinc/02/52/81/488025281.db2.gz GJMUTNAZVLBELD-XJFOESAGSA-N 2 0 240.391 1.635 20 0 BDADRP Cc1cc(N)cc(C[NH2+]C[C@]23C[C@H]2C[NH2+]C3)c1 ZINC000663497211 488045974 /nfs/dbraw/zinc/04/59/74/488045974.db2.gz LRXSYVSIGFMTIG-JSGCOSHPSA-N 2 0 231.343 1.276 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2COC(C)(C)C2)C1 ZINC000656269422 488073717 /nfs/dbraw/zinc/07/37/17/488073717.db2.gz QETJGXBDHKOIBN-UTUOFQBUSA-N 2 0 226.364 1.484 20 0 BDADRP CC(C)[NH2+][C@H]1CCCN(CC[C@H](C)O)C1 ZINC000257768451 488087278 /nfs/dbraw/zinc/08/72/78/488087278.db2.gz FUKDVJPRHWJBFP-RYUDHWBXSA-N 2 0 214.353 1.220 20 0 BDADRP [NH3+][C@@H](CNC(=O)CC1([NH3+])CCC1)c1ccccc1 ZINC000669510682 488113489 /nfs/dbraw/zinc/11/34/89/488113489.db2.gz PMOVJDXNRFMWOI-LBPRGKRZSA-N 2 0 247.342 1.074 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000667775318 488118067 /nfs/dbraw/zinc/11/80/67/488118067.db2.gz JATVTJIJTIFOJC-ZIAGYGMSSA-N 2 0 240.391 1.874 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000667819321 488127441 /nfs/dbraw/zinc/12/74/41/488127441.db2.gz TXAAKVZIUQLUAG-STQMWFEESA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H](O)C1([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000668698464 488130209 /nfs/dbraw/zinc/13/02/09/488130209.db2.gz CGMAMEOCQFQQSD-TUAOUCFPSA-N 2 0 224.348 1.116 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCOCc1ccccc1 ZINC000309747379 487540544 /nfs/dbraw/zinc/54/05/44/487540544.db2.gz UWJHTLMVDPEMDA-UKRRQHHQSA-N 2 0 248.370 1.872 20 0 BDADRP COC[C@@H](C)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662292309 487541577 /nfs/dbraw/zinc/54/15/77/487541577.db2.gz DHMQIFVNMNGZED-TZMCWYRMSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]CC1CC1 ZINC000657573960 488136531 /nfs/dbraw/zinc/13/65/31/488136531.db2.gz RBTNKFGEARLYHJ-LBPRGKRZSA-N 2 0 227.396 1.258 20 0 BDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)C1CC1 ZINC000657573660 488137033 /nfs/dbraw/zinc/13/70/33/488137033.db2.gz NYTPBWOYDIZDOJ-STQMWFEESA-N 2 0 241.423 1.647 20 0 BDADRP CO[C@@H](C)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000679852988 487472741 /nfs/dbraw/zinc/47/27/41/487472741.db2.gz WKXUAGRZXVSLHD-LBPRGKRZSA-N 2 0 235.331 1.239 20 0 BDADRP C[C@@H]1CC[C@@H](C[N@@H+]2CCC[C@@H](CC[NH3+])C2)O1 ZINC000227063502 487491449 /nfs/dbraw/zinc/49/14/49/487491449.db2.gz PYZBKLVKWMLOHC-AGIUHOORSA-N 2 0 226.364 1.615 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(C)(C)C1 ZINC000381082178 487494438 /nfs/dbraw/zinc/49/44/38/487494438.db2.gz RRCKWKSEGOMDKE-GFCCVEGCSA-N 2 0 228.380 1.419 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CN(CCC(C)(C)C2CC2)CCO1 ZINC000406078695 487499979 /nfs/dbraw/zinc/49/99/79/487499979.db2.gz WCEZRFIQTKBOFE-AAEUAGOBSA-N 2 0 240.391 1.861 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000662266760 487503383 /nfs/dbraw/zinc/50/33/83/487503383.db2.gz OSVLQJAAJTWGKL-LPEHRKFASA-N 2 0 234.290 1.080 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCO[C@H]2CC2(F)F)C1 ZINC000662266755 487503484 /nfs/dbraw/zinc/50/34/84/487503484.db2.gz OSVLQJAAJTWGKL-GUBZILKMSA-N 2 0 234.290 1.080 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCO2)CC[N@@H+]1C ZINC000149295331 487514102 /nfs/dbraw/zinc/51/41/02/487514102.db2.gz XNDPVXOEVNKIOQ-SRVKXCTJSA-N 2 0 212.337 1.238 20 0 BDADRP CC(C)C[C@H]([NH3+])C(=O)Nc1cccc(C[NH3+])c1 ZINC000169816233 487508437 /nfs/dbraw/zinc/50/84/37/487508437.db2.gz MVBUIBZEOLNLAY-LBPRGKRZSA-N 2 0 235.331 1.457 20 0 BDADRP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1cccc(C[NH3+])c1 ZINC000169816509 487509284 /nfs/dbraw/zinc/50/92/84/487509284.db2.gz HFWKPPAYGRCSPU-CABZTGNLSA-N 2 0 235.331 1.457 20 0 BDADRP C[N@H+](CCc1cccs1)C[C@@H]1CC[NH2+]C1 ZINC000086440972 487509825 /nfs/dbraw/zinc/50/98/25/487509825.db2.gz VMBOFVQWSWNLMF-LLVKDONJSA-N 2 0 224.373 1.832 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCCO2)CC[N@@H+]1C ZINC000149294898 487514699 /nfs/dbraw/zinc/51/46/99/487514699.db2.gz XNDPVXOEVNKIOQ-TUAOUCFPSA-N 2 0 212.337 1.238 20 0 BDADRP C(CC1CC[NH2+]CC1)[NH2+]C1CCOCC1 ZINC000258907181 488142932 /nfs/dbraw/zinc/14/29/32/488142932.db2.gz FAIVVIUROBWEST-UHFFFAOYSA-N 2 0 212.337 1.145 20 0 BDADRP CC(C)C[C@@H]([NH3+])C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000161879414 487523138 /nfs/dbraw/zinc/52/31/38/487523138.db2.gz KOIKJYZNRUUXPF-VXGBXAGGSA-N 2 0 243.395 1.192 20 0 BDADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCO[C@H]1CC1(F)F ZINC000662274656 487523858 /nfs/dbraw/zinc/52/38/58/487523858.db2.gz ZGCYBKBQOMCOSJ-MNOVXSKESA-N 2 0 248.317 1.614 20 0 BDADRP [NH3+][C@H](CCC(=O)N1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000237920805 487534253 /nfs/dbraw/zinc/53/42/53/487534253.db2.gz KPWFQDSCGADSET-QWHCGFSZSA-N 2 0 247.342 1.026 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)[C@H]1C[C@H]1C ZINC000321909998 488160779 /nfs/dbraw/zinc/16/07/79/488160779.db2.gz PIEUEAFCFHKPSG-XQHKEYJVSA-N 2 0 210.365 1.962 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)CC(C)(C)O)C1CC[NH+](C)CC1 ZINC000385207427 487771439 /nfs/dbraw/zinc/77/14/39/487771439.db2.gz PWXZJNHXPJJSEN-NWDGAFQWSA-N 2 0 242.407 1.856 20 0 BDADRP C[C@H](CO)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000683228142 488134809 /nfs/dbraw/zinc/13/48/09/488134809.db2.gz VTQLBRKUVIUHSU-RYUDHWBXSA-N 2 0 214.353 1.031 20 0 BDADRP C[C@@H]1CCC[C@H]1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000230672363 488135831 /nfs/dbraw/zinc/13/58/31/488135831.db2.gz UOTXHTIYSYPJDT-HZSPNIEDSA-N 2 0 240.391 1.469 20 0 BDADRP Cc1occc1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000321475907 488140566 /nfs/dbraw/zinc/14/05/66/488140566.db2.gz DRPRRUVZNJEVBT-TXEJJXNPSA-N 2 0 206.289 1.239 20 0 BDADRP C[N@H+](CCc1ccc(F)cc1)C[C@@H]1CC[NH2+]C1 ZINC000259010683 488147166 /nfs/dbraw/zinc/14/71/66/488147166.db2.gz XPNVZRAOMWEXKQ-CYBMUJFWSA-N 2 0 236.334 1.910 20 0 BDADRP C[C@@H]1C[C@@H](NCC2([NH+](C)C)CC2)CC[N@@H+]1C ZINC000397780381 488148755 /nfs/dbraw/zinc/14/87/55/488148755.db2.gz ORKLILSFYLHUBB-NEPJUHHUSA-N 2 0 225.380 1.153 20 0 BDADRP CC[C@@H]1C[N@H+](CCc2cnn(C)c2)CC[C@@H]1[NH3+] ZINC000230745763 488150783 /nfs/dbraw/zinc/15/07/83/488150783.db2.gz MFQBZAQSIBGTQS-OLZOCXBDSA-N 2 0 236.363 1.022 20 0 BDADRP Cc1nnsc1CN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000379772556 488151707 /nfs/dbraw/zinc/15/17/07/488151707.db2.gz BBADSADSTGUWAJ-CBAPKCEASA-N 2 0 226.349 1.016 20 0 BDADRP C[C@H]1C[C@H](C)C[NH+](CCN2CC[NH+](C)CC2)C1 ZINC000677951155 488162241 /nfs/dbraw/zinc/16/22/41/488162241.db2.gz HBRUIRHJPMIXKH-KBPBESRZSA-N 2 0 239.407 1.212 20 0 BDADRP CC[N@H+](CC[C@@H]1CCC[NH+]1C)C[C@@H]1CCOC1 ZINC000678073239 488191193 /nfs/dbraw/zinc/19/11/93/488191193.db2.gz OGYTXIUZDUWFEF-KBPBESRZSA-N 2 0 240.391 1.829 20 0 BDADRP COCC1([N@H+](C)CC[C@H]2CCC[NH+]2C)CC1 ZINC000678084511 488193805 /nfs/dbraw/zinc/19/38/05/488193805.db2.gz XTAAGHMBWZJNPN-GFCCVEGCSA-N 2 0 226.364 1.582 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2COC(C)(C)C2)[C@@H](C)C1 ZINC000669544121 488196907 /nfs/dbraw/zinc/19/69/07/488196907.db2.gz SSYHBVBOVDAHDY-AVGNSLFASA-N 2 0 240.391 1.874 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCn3ccnc32)CC1 ZINC000335916510 488200281 /nfs/dbraw/zinc/20/02/81/488200281.db2.gz UNTUMUPIGCASCE-GFCCVEGCSA-N 2 0 248.374 1.649 20 0 BDADRP COC[C@@H]([NH2+]CC[C@@H]([NH3+])C(C)C)C1CC1 ZINC000398131273 488211971 /nfs/dbraw/zinc/21/19/71/488211971.db2.gz SYINVPFFEAKNFF-VXGBXAGGSA-N 2 0 214.353 1.374 20 0 BDADRP COC[C@H]([NH2+]CC[C@@H]([NH3+])C(C)C)C1CC1 ZINC000398131269 488212264 /nfs/dbraw/zinc/21/22/64/488212264.db2.gz SYINVPFFEAKNFF-NEPJUHHUSA-N 2 0 214.353 1.374 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2cn[nH]c2)C[C@H]1n1ccnc1 ZINC000678336759 488241594 /nfs/dbraw/zinc/24/15/94/488241594.db2.gz LKYTVCXUMXSIII-DGCLKSJQSA-N 2 0 245.330 1.689 20 0 BDADRP C[C@H](CCCCO)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000679332365 488340980 /nfs/dbraw/zinc/34/09/80/488340980.db2.gz VDOLWHZWOYQZRR-OLZOCXBDSA-N 2 0 240.391 1.611 20 0 BDADRP Cc1ccc(C[N@@H+](C)C2CC([NH3+])C2)s1 ZINC000307321009 490200741 /nfs/dbraw/zinc/20/07/41/490200741.db2.gz WFHRWWWSVGPHMT-UHFFFAOYSA-N 2 0 210.346 1.978 20 0 BDADRP CO[C@H]1CCC[C@H]([NH2+]CC2CC[NH+](C)CC2)C1 ZINC000070327330 490208302 /nfs/dbraw/zinc/20/83/02/490208302.db2.gz OHALIQMGWXNSLY-KBPBESRZSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@@H]1C[N@H+](Cc2nc(C)ccc2O)CC[C@H]1[NH3+] ZINC000251666084 490258453 /nfs/dbraw/zinc/25/84/53/490258453.db2.gz HGQFXWREEWDAME-VXGBXAGGSA-N 2 0 249.358 1.655 20 0 BDADRP c1cc(C[NH+]2CCSCC2)c2c(c1)C[NH2+]CC2 ZINC000123888778 490268722 /nfs/dbraw/zinc/26/87/22/490268722.db2.gz PRRUTYQZDVGIHI-UHFFFAOYSA-N 2 0 248.395 1.881 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@@H](C)C[C@@H](C)O)CC1 ZINC000305104350 490434022 /nfs/dbraw/zinc/43/40/22/490434022.db2.gz CKGIAKXONBWAQM-QWHCGFSZSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@H]([NH2+]CCCF)C1CC[NH+](C)CC1 ZINC000126885165 490524209 /nfs/dbraw/zinc/52/42/09/490524209.db2.gz BGFWFNWESILQGG-JTQLQIEISA-N 2 0 202.317 1.666 20 0 BDADRP Cn1cncc1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000401633306 490581727 /nfs/dbraw/zinc/58/17/27/490581727.db2.gz BEWQCXFPXYADHA-QWHCGFSZSA-N 2 0 248.374 1.179 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cncs2)C1 ZINC000131430236 490636582 /nfs/dbraw/zinc/63/65/82/490636582.db2.gz CMPOFXBTHUKGRB-RKDXNWHRSA-N 2 0 211.334 1.503 20 0 BDADRP CCC[NH+]1CCC([NH2+]CC2(O)CCCC2)CC1 ZINC000087015626 491065375 /nfs/dbraw/zinc/06/53/75/491065375.db2.gz NOARRNBKIFZFAC-UHFFFAOYSA-N 2 0 240.391 1.756 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+]CCCc1cnn(C)c1 ZINC000314735643 491090931 /nfs/dbraw/zinc/09/09/31/491090931.db2.gz PLSLHZHAUDMIEZ-LBPRGKRZSA-N 2 0 238.379 1.283 20 0 BDADRP Cc1cccc(CC[NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)n1 ZINC000415110865 491092559 /nfs/dbraw/zinc/09/25/59/491092559.db2.gz SYRFFYZOXKCUBM-KBPBESRZSA-N 2 0 247.386 1.910 20 0 BDADRP CO[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000223894430 491116250 /nfs/dbraw/zinc/11/62/50/491116250.db2.gz YTTYLMAJYFGYSP-YIYPIFLZSA-N 2 0 240.391 1.922 20 0 BDADRP COCc1cccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000090320307 491124411 /nfs/dbraw/zinc/12/44/11/491124411.db2.gz JJNIREMRYUCALP-GJZGRUSLSA-N 2 0 246.354 1.484 20 0 BDADRP COc1cccc([C@H](C)[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000090320506 491124450 /nfs/dbraw/zinc/12/44/50/491124450.db2.gz STAWXCCJSNNQBM-IACUBPJLSA-N 2 0 246.354 1.907 20 0 BDADRP C[C@H]([NH2+][C@H]1CCOC[C@H]1C)C1CC[NH+](C)CC1 ZINC000302023727 491133185 /nfs/dbraw/zinc/13/31/85/491133185.db2.gz GKXQALLKJDKHSC-DYEKYZERSA-N 2 0 240.391 1.731 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@]1(CC)CCOC1 ZINC000309638806 491153354 /nfs/dbraw/zinc/15/33/54/491153354.db2.gz KGESSGOWFCILQX-CYBMUJFWSA-N 2 0 228.380 1.877 20 0 BDADRP C[C@H](NCC[NH+]1CCC(C)CC1)[C@H]1CCC[NH2+]1 ZINC000400764522 533856792 /nfs/dbraw/zinc/85/67/92/533856792.db2.gz YZOCQUYGBWYLQV-UONOGXRCSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCCOC1)[C@@H]1CCC[NH2+]1 ZINC000400500454 533883585 /nfs/dbraw/zinc/88/35/85/533883585.db2.gz FTCKCYZVRBQGLB-SRVKXCTJSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H]([NH2+]CCCC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000045663862 582634033 /nfs/dbraw/zinc/63/40/33/582634033.db2.gz SQUFCCFQXCIWEV-ZDUSSCGKSA-N 3 0 241.423 1.648 20 0 BDADRP C[C@H](CCO)CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400448326 533964760 /nfs/dbraw/zinc/96/47/60/533964760.db2.gz QDZDQDRXDVKLHR-SRVKXCTJSA-N 2 0 214.353 1.125 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000223191897 535589878 /nfs/dbraw/zinc/58/98/78/535589878.db2.gz VOCCZUXRNFBRGP-MELADBBJSA-N 2 0 241.423 1.789 20 0 BDADRP C[C@H]([NH2+][C@H](CCO)C(C)(C)C)[C@H]1CCC[NH2+]1 ZINC000400393491 533994332 /nfs/dbraw/zinc/99/43/32/533994332.db2.gz JKYRCPSOONRHEX-QJPTWQEYSA-N 2 0 228.380 1.514 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@@H]2CCOC2)C[C@H]1C[NH3+] ZINC000400597663 534035060 /nfs/dbraw/zinc/03/50/60/534035060.db2.gz DBCDWXPLOVPMTO-JHJVBQTASA-N 2 0 226.364 1.330 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400986155 534179439 /nfs/dbraw/zinc/17/94/39/534179439.db2.gz YWZXGUUPSKKXKW-NWBUJAPZSA-N 2 0 224.348 1.142 20 0 BDADRP CC(C)[C@@H]1CC[C@@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423179558 517467846 /nfs/dbraw/zinc/46/78/46/517467846.db2.gz HKZWBHQZEQFNHV-KBPBESRZSA-N 2 0 239.407 1.306 20 0 BDADRP C[C@H]1OCC[N@H+](CC2CC[NH+](C)CC2)[C@H]1C ZINC000892048171 582773511 /nfs/dbraw/zinc/77/35/11/582773511.db2.gz IAZZORHYRIOUPK-NWDGAFQWSA-N 2 0 226.364 1.437 20 0 BDADRP C1[NH2+]C[C@H]2CC[C@@H]([NH2+]C3CCSCC3)C[C@@H]12 ZINC000401032348 526423974 /nfs/dbraw/zinc/42/39/74/526423974.db2.gz QCQLVKDUOAUAIE-NTZNESFSSA-N 2 0 240.416 1.860 20 0 BDADRP CN1CC[C@@H]2CC[N@H+](CC3CC[NH2+]CC3)[C@H]2C1 ZINC000261803608 536463386 /nfs/dbraw/zinc/46/33/86/536463386.db2.gz HDHQBPMCOYMPGA-KGLIPLIRSA-N 2 0 237.391 1.012 20 0 BDADRP C[N@@H+]1CC[C@@H]2CCN(C[C@@]3(C)CC[NH2+]C3)[C@H]2C1 ZINC000262092262 536463731 /nfs/dbraw/zinc/46/37/31/536463731.db2.gz UXJHUWIMMREQEG-RDBSUJKOSA-N 2 0 237.391 1.012 20 0 BDADRP CCC[NH+](C)CCOCC[N@@H+](C)CCC ZINC000178616027 527826475 /nfs/dbraw/zinc/82/64/75/527826475.db2.gz OOGGZEURTOFNJP-UHFFFAOYSA-N 2 0 216.369 1.687 20 0 BDADRP COC[C@@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000173533863 536522644 /nfs/dbraw/zinc/52/26/44/536522644.db2.gz XRVDOGSUVZEDAT-CYBMUJFWSA-N 2 0 240.391 1.829 20 0 BDADRP CC(C)[C@H](C(=O)N[C@@H](C)CCCC[NH3+])[NH+](C)C ZINC000494659996 528922398 /nfs/dbraw/zinc/92/23/98/528922398.db2.gz DBUQEAMRLSJIIC-NWDGAFQWSA-N 2 0 243.395 1.206 20 0 BDADRP CCC(O)(CC)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000471760316 528965016 /nfs/dbraw/zinc/96/50/16/528965016.db2.gz QEZMAZHENFBZQS-QWHCGFSZSA-N 2 0 242.407 2.000 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)N[C@@H](C)CCCC[NH3+] ZINC000495100839 528970196 /nfs/dbraw/zinc/97/01/96/528970196.db2.gz KJFCALJUXXPCBF-QWRGUYRKSA-N 2 0 229.368 1.138 20 0 BDADRP CC(C)[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000251317836 535150445 /nfs/dbraw/zinc/15/04/45/535150445.db2.gz LNSQVRFMNHHJOJ-MELADBBJSA-N 2 0 240.391 1.419 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)C[C@@H](C)O)CC1 ZINC000164595550 535162616 /nfs/dbraw/zinc/16/26/16/535162616.db2.gz MIOVFERPSURECM-NWDGAFQWSA-N 2 0 228.380 1.608 20 0 BDADRP CC1(C)CCC[NH2+][C@H]1CN[C@H]1CCC[NH2+]C1 ZINC000334861353 535299289 /nfs/dbraw/zinc/29/92/89/535299289.db2.gz BFGPSHWTCOMRJI-RYUDHWBXSA-N 2 0 225.380 1.106 20 0 BDADRP CCOc1ccccc1C[NH2+][C@H](C)CC[NH3+] ZINC000220538330 535512665 /nfs/dbraw/zinc/51/26/65/535512665.db2.gz GNGFYRROAMNUPU-LLVKDONJSA-N 2 0 222.332 1.912 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)NCC[N@H+](C)[C@H](C)CC ZINC000261540124 535527172 /nfs/dbraw/zinc/52/71/72/535527172.db2.gz DTOJTHXRXBZCFB-DGCLKSJQSA-N 2 0 243.395 1.350 20 0 BDADRP CC[NH+](CC)[C@H](CNC(=O)C[NH2+]C)CC(C)C ZINC000164407727 535670419 /nfs/dbraw/zinc/67/04/19/535670419.db2.gz VZLCURDEHRZDIZ-LBPRGKRZSA-N 2 0 243.395 1.079 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)OC)[C@@H](C)C1 ZINC000224571805 535768048 /nfs/dbraw/zinc/76/80/48/535768048.db2.gz GHASHWZEUONMTI-RYUDHWBXSA-N 2 0 228.380 1.731 20 0 BDADRP CC[C@@H]1COCC[N@@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000261533655 535834492 /nfs/dbraw/zinc/83/44/92/535834492.db2.gz JJWPHLROIHTELN-FRRDWIJNSA-N 2 0 226.364 1.485 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000252733290 535966453 /nfs/dbraw/zinc/96/64/53/535966453.db2.gz YSKLKVARBULHFK-AGIUHOORSA-N 2 0 228.380 1.467 20 0 BDADRP C[NH+](C)C[C@](C)(O)C[NH2+]CC1CCCCCC1 ZINC000228723742 535974018 /nfs/dbraw/zinc/97/40/18/535974018.db2.gz PKAOJCLQWHSVIH-CQSZACIVSA-N 2 0 242.407 1.859 20 0 BDADRP CC[C@H]([NH3+])C(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000361763070 536140978 /nfs/dbraw/zinc/14/09/78/536140978.db2.gz MHHGTXULQMRMPT-LBPRGKRZSA-N 2 0 247.342 1.162 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](O)C1 ZINC000217611609 536353454 /nfs/dbraw/zinc/35/34/54/536353454.db2.gz XTWZNTCZGIEMQK-CHWSQXEVSA-N 2 0 226.364 1.318 20 0 BDADRP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@H]3CCOC3)C2)C1 ZINC000335901308 536381850 /nfs/dbraw/zinc/38/18/50/536381850.db2.gz XEKNDRKJRCSNER-ZIAGYGMSSA-N 2 0 238.375 1.441 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@H](O)C1(C)C ZINC000335722225 536390116 /nfs/dbraw/zinc/39/01/16/536390116.db2.gz WGEJNZYDGUINPI-RYUDHWBXSA-N 2 0 226.364 1.316 20 0 BDADRP C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000261865153 536398598 /nfs/dbraw/zinc/39/85/98/536398598.db2.gz YYJGZTXCZDCHBW-UTUOFQBUSA-N 2 0 241.379 1.008 20 0 BDADRP CO[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC000261530963 536706526 /nfs/dbraw/zinc/70/65/26/536706526.db2.gz DQZZXKDYPCJDGX-YFKTTZPYSA-N 2 0 212.337 1.271 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CC[C@@H](C)C1 ZINC000230407318 536850287 /nfs/dbraw/zinc/85/02/87/536850287.db2.gz WVGLFCBRFWMVDT-AGIUHOORSA-N 2 0 228.380 1.766 20 0 BDADRP CC(=O)OC[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000893094011 583048541 /nfs/dbraw/zinc/04/85/41/583048541.db2.gz CUVJIGULBKVHQZ-UHTWSYAYSA-N 2 0 242.363 1.400 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCC2SCCS2)C1 ZINC000853023510 588716711 /nfs/dbraw/zinc/71/67/11/588716711.db2.gz ZLVOGPLFGFRQJP-VHSXEESVSA-N 2 0 246.445 1.852 20 0 BDADRP C1=C[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000854221805 588780143 /nfs/dbraw/zinc/78/01/43/588780143.db2.gz VRUNRWJBEAEJNI-RFQIPJPRSA-N 2 0 236.359 1.452 20 0 BDADRP C([NH2+][C@@H]1CC[C@H]1C1CC1)C12CC(C1)C[NH2+]2 ZINC000854228327 588780864 /nfs/dbraw/zinc/78/08/64/588780864.db2.gz VFQGKYVWIDMPJJ-QYIFAOSHSA-N 2 0 206.333 1.517 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCC1SCCS1 ZINC000854231936 588781359 /nfs/dbraw/zinc/78/13/59/588781359.db2.gz POZWICSCLVWWAS-DTWKUNHWSA-N 2 0 232.418 1.652 20 0 BDADRP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCC12CCOCC2 ZINC000854232249 588781528 /nfs/dbraw/zinc/78/15/28/588781528.db2.gz OQFHLBPQVGHAGU-GHMZBOCLSA-N 2 0 212.337 1.143 20 0 BDADRP Cc1cc(N(C)CC2CC[NH+](C)CC2)nc(N)[nH+]1 ZINC000112733887 588814894 /nfs/dbraw/zinc/81/48/94/588814894.db2.gz SXDYSSWQUQMFHI-UHFFFAOYSA-N 2 0 249.362 1.145 20 0 BDADRP C[C@@H](CNC(=[NH2+])NC(C)(C)C)[NH+]1CCCC1 ZINC000112800791 588817166 /nfs/dbraw/zinc/81/71/66/588817166.db2.gz DFMFSAQJZNWOBB-JTQLQIEISA-N 2 0 226.368 1.383 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCOCC2(C)C)CC1 ZINC000891777470 582719289 /nfs/dbraw/zinc/71/92/89/582719289.db2.gz CJLHECLKCYLBRL-UHFFFAOYSA-N 2 0 226.364 1.439 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](CNc2cc[nH+]cc2CO)C1 ZINC000892080323 582786578 /nfs/dbraw/zinc/78/65/78/582786578.db2.gz FHZBKDICHFKZNA-LBPRGKRZSA-N 2 0 249.358 1.138 20 0 BDADRP CC(C)[N@H+](C)CCCNC(=[NH2+])NCC1CCC1 ZINC000848987979 582818418 /nfs/dbraw/zinc/81/84/18/582818418.db2.gz UVKZABLCZQONMH-UHFFFAOYSA-N 2 0 240.395 1.631 20 0 BDADRP CC(C)CCNC(=[NH2+])NCC[N@@H+]1CC[C@H](C)C1 ZINC000849004196 582821897 /nfs/dbraw/zinc/82/18/97/582821897.db2.gz GVDPWINLZOIHHJ-LBPRGKRZSA-N 2 0 240.395 1.488 20 0 BDADRP CC[C@H](C)[N@H+](C)CCNc1cc[nH+]cc1CO ZINC000892285103 582827336 /nfs/dbraw/zinc/82/73/36/582827336.db2.gz SBBWZQRBOKHFSL-NSHDSACASA-N 2 0 237.347 1.138 20 0 BDADRP CCCNC(=[NH2+])NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000849023688 582829742 /nfs/dbraw/zinc/82/97/42/582829742.db2.gz ADMYCLURRWQDTH-LLVKDONJSA-N 2 0 240.395 1.631 20 0 BDADRP CC(=O)OC[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000892607166 582928477 /nfs/dbraw/zinc/92/84/77/582928477.db2.gz HVLLPXYJUDBOGG-WCFLWFBJSA-N 2 0 240.347 1.154 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)COC(C)=O)C1 ZINC000892668841 582946741 /nfs/dbraw/zinc/94/67/41/582946741.db2.gz RIDFHIRHNXMKNE-DGCLKSJQSA-N 2 0 242.363 1.260 20 0 BDADRP CO[C@H]1CCC[C@H]1C[NH2+]CC1CC[NH+](C)CC1 ZINC000893287241 583087478 /nfs/dbraw/zinc/08/74/78/583087478.db2.gz YIJHPFZMTGSGEY-KBPBESRZSA-N 2 0 240.391 1.733 20 0 BDADRP Cc1ncoc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000893940828 583255470 /nfs/dbraw/zinc/25/54/70/583255470.db2.gz QIEGVCPXTHXVRB-UHFFFAOYSA-N 2 0 237.347 1.757 20 0 BDADRP CC(C)[C@](C)(C[NH3+])NC(=O)c1cccc(C[NH3+])c1 ZINC000841848806 583364091 /nfs/dbraw/zinc/36/40/91/583364091.db2.gz FCJFGEWTUWAUCN-AWEZNQCLSA-N 2 0 249.358 1.249 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)C1C[NH2+]C1 ZINC000857253174 588901322 /nfs/dbraw/zinc/90/13/22/588901322.db2.gz IFYSSOXNZOTOAD-IONNQARKSA-N 2 0 237.174 1.768 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1NC(=O)c1cccc(C[NH3+])c1 ZINC000841855823 583419738 /nfs/dbraw/zinc/41/97/38/583419738.db2.gz ILQILFKLHDBXAP-GFCCVEGCSA-N 2 0 247.342 1.016 20 0 BDADRP Fc1cccnc1OCC[NH2+]Cc1cnc[nH]1 ZINC000894358557 583436573 /nfs/dbraw/zinc/43/65/73/583436573.db2.gz HUFKZFZIYIOFTF-UHFFFAOYSA-N 2 0 236.250 1.112 20 0 BDADRP CC(C)C[C@H](CO)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000894496810 583474155 /nfs/dbraw/zinc/47/41/55/583474155.db2.gz RALIRLCEIOSKRG-CQSZACIVSA-N 2 0 242.407 1.667 20 0 BDADRP CC[C@@H]1CN(C)CC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000894640399 583499660 /nfs/dbraw/zinc/49/96/60/583499660.db2.gz CBBMJAYJBLHHCZ-CQSZACIVSA-N 2 0 239.407 1.354 20 0 BDADRP CCO[C@@H]1CCC[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000894782588 583521197 /nfs/dbraw/zinc/52/11/97/583521197.db2.gz MUELGWOFAOELAY-ZIAGYGMSSA-N 2 0 240.391 1.875 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2C[C@@H]3C[C@H]2CS3)CC1 ZINC000894866743 583537697 /nfs/dbraw/zinc/53/76/97/583537697.db2.gz APVWIANGIDUFGO-RYUDHWBXSA-N 2 0 226.389 1.518 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccn(C)n1 ZINC000894866621 583537775 /nfs/dbraw/zinc/53/77/75/583537775.db2.gz ZBNYFAPYLNPMBL-LLVKDONJSA-N 2 0 236.363 1.413 20 0 BDADRP Cc1ccnc(N)c1CN1CC(C(F)F)C1 ZINC000894977020 583563518 /nfs/dbraw/zinc/56/35/18/583563518.db2.gz QSRGOPJLPXYJIV-UHFFFAOYSA-N 2 0 227.258 1.669 20 0 BDADRP Cc1c[nH+]ccc1N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334994683 583598581 /nfs/dbraw/zinc/59/85/81/583598581.db2.gz GHPCOKSJIMCCKT-CQSZACIVSA-N 2 0 231.343 1.970 20 0 BDADRP CC[C@H]1C[N@H+](CC2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000895146276 583604511 /nfs/dbraw/zinc/60/45/11/583604511.db2.gz DQBAFBZPNCTSJE-JSGCOSHPSA-N 2 0 240.391 1.828 20 0 BDADRP C[C@@H](CCNCc1cnc(C2CC2)nc1)[NH+](C)C ZINC000895292093 583637517 /nfs/dbraw/zinc/63/75/17/583637517.db2.gz MDFNGDAEMIKDDU-NSHDSACASA-N 2 0 248.374 1.784 20 0 BDADRP Cc1cc(N2CC[C@@H](CC[NH+](C)C)C2)nc(C)n1 ZINC000895331773 583653456 /nfs/dbraw/zinc/65/34/56/583653456.db2.gz XOLBSCXLRIJDPS-CYBMUJFWSA-N 2 0 248.374 1.871 20 0 BDADRP C[C@@H]1[C@H](Nc2cc[nH+]c(CO)c2)CC[N@@H+]1C ZINC000895737702 583718237 /nfs/dbraw/zinc/71/82/37/583718237.db2.gz RVLQNBJLHDNMGV-BXKDBHETSA-N 2 0 221.304 1.078 20 0 BDADRP Cn1c2cc(F)ccc2nc1NC[C@H]1CC[N@@H+]1C ZINC000895769962 583724323 /nfs/dbraw/zinc/72/43/23/583724323.db2.gz WUTVDHXQHFUOTM-SNVBAGLBSA-N 2 0 248.305 1.828 20 0 BDADRP CN(C)c1ccnc(C[NH2+]CC[C@H]2CCOC2)c1 ZINC000896298977 583789747 /nfs/dbraw/zinc/78/97/47/583789747.db2.gz MUVBKTPRLJKNSZ-LBPRGKRZSA-N 2 0 249.358 1.664 20 0 BDADRP CC[C@H](C)[C@H](C[NH2+][C@@H]1CCN(C)[C@H]1C)OC ZINC000896555179 583811440 /nfs/dbraw/zinc/81/14/40/583811440.db2.gz NYOVFGXKYANQCK-RVMXOQNASA-N 2 0 228.380 1.730 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CCN(C)[C@@H]1C)CC(C)C ZINC000896554624 583812167 /nfs/dbraw/zinc/81/21/67/583812167.db2.gz KHVMYYHBYGPEJH-AGIUHOORSA-N 2 0 228.380 1.730 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000883456517 583820954 /nfs/dbraw/zinc/82/09/54/583820954.db2.gz ABMOHHFOJINRJI-UHFFFAOYSA-N 3 0 237.391 1.204 20 0 BDADRP Fc1cc(C[NH2+]CCCCn2ccnc2)ccn1 ZINC000858104702 588933093 /nfs/dbraw/zinc/93/30/93/588933093.db2.gz UJZAVAKKIIAVBM-UHFFFAOYSA-N 2 0 248.305 1.987 20 0 BDADRP C[NH2+][C@H](C)Cc1noc([C@H]2C[C@H]([NH3+])C2(C)C)n1 ZINC000871788856 583943717 /nfs/dbraw/zinc/94/37/17/583943717.db2.gz OPQRRYLDBFQTNU-HLTSFMKQSA-N 2 0 238.335 1.061 20 0 BDADRP CC1(C)CO[C@H](CN(C2CC2)[C@H]2CC[NH2+]C2)C1 ZINC000872142755 583948173 /nfs/dbraw/zinc/94/81/73/583948173.db2.gz CLHZNGWFZVGXKR-STQMWFEESA-N 2 0 238.375 1.628 20 0 BDADRP CC[C@@H](C)[N@H+](C)CCNc1cc[nH+]c(CO)c1 ZINC000858386280 588950205 /nfs/dbraw/zinc/95/02/05/588950205.db2.gz ITTGHKXRSBKUMT-LLVKDONJSA-N 2 0 237.347 1.716 20 0 BDADRP CCC[C@H](C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)OC ZINC000897620273 584032673 /nfs/dbraw/zinc/03/26/73/584032673.db2.gz KOJHDTFSLNOKFP-BFHYXJOUSA-N 2 0 240.391 1.685 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CC23CC(O)C3)CC1(C)C ZINC000897840930 584053357 /nfs/dbraw/zinc/05/33/57/584053357.db2.gz JORIJCPRGBQJCO-JJMZSNKZSA-N 2 0 238.375 1.362 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C2CC(CCO)C2)CN1C1CC1 ZINC000898007980 584070664 /nfs/dbraw/zinc/07/06/64/584070664.db2.gz IOBJGDLYQVMCGY-WTIISPKJSA-N 2 0 238.375 1.362 20 0 BDADRP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]C1CC(CCO)C1 ZINC000898008859 584071015 /nfs/dbraw/zinc/07/10/15/584071015.db2.gz XUGHHWRPGGYYFB-BBCYWQGDSA-N 2 0 238.375 1.220 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@H]2COC[C@H]2C2CC2)CC1 ZINC000898377619 584112753 /nfs/dbraw/zinc/11/27/53/584112753.db2.gz WKPDSXIKEMSIPB-KBPBESRZSA-N 2 0 238.375 1.343 20 0 BDADRP C[C@H](NC[C@H]1CCC(C)(C)C[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000873236893 584127877 /nfs/dbraw/zinc/12/78/77/584127877.db2.gz KFWCFXBSGOJUTG-XQQFMLRXSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ncc[nH]1 ZINC000873238637 584128297 /nfs/dbraw/zinc/12/82/97/584128297.db2.gz DDOGPVMORZPFSJ-DCAQKATOSA-N 2 0 222.336 1.578 20 0 BDADRP C[C@@H]([NH2+]CCC[C@H]1CCOC1=O)[C@@H]1CCC[NH2+]1 ZINC000873283636 584129056 /nfs/dbraw/zinc/12/90/56/584129056.db2.gz YLWUOYGWBUNJFI-WOPDTQHZSA-N 2 0 240.347 1.060 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000873282571 584129099 /nfs/dbraw/zinc/12/90/99/584129099.db2.gz VHHFNJNXFIZUMG-IEECTRCBSA-N 2 0 224.348 1.413 20 0 BDADRP Cc1nccnc1[C@@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000873296206 584129332 /nfs/dbraw/zinc/12/93/32/584129332.db2.gz CTHHSXFIWXOJJL-ZYHUDNBSSA-N 2 0 236.363 1.953 20 0 BDADRP Cc1nccnc1[C@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000873296205 584129343 /nfs/dbraw/zinc/12/93/43/584129343.db2.gz CTHHSXFIWXOJJL-PWSUYJOCSA-N 2 0 236.363 1.953 20 0 BDADRP C[NH+](C)Cc1cccc(-c2cnc(C[NH3+])nc2)c1 ZINC000899322942 584196556 /nfs/dbraw/zinc/19/65/56/584196556.db2.gz CWPNPAYTSPWQRC-UHFFFAOYSA-N 2 0 242.326 1.664 20 0 BDADRP C[C@H](CNc1cc[nH+]c(CO)c1)C[NH+](C)C ZINC000858553686 588965116 /nfs/dbraw/zinc/96/51/16/588965116.db2.gz VNOFTMDKDLXZKS-SNVBAGLBSA-N 2 0 223.320 1.184 20 0 BDADRP CC[C@@H]([NH3+])c1cn(C[C@H]2CCCC[NH2+]C2)nn1 ZINC000899741287 584233882 /nfs/dbraw/zinc/23/38/82/584233882.db2.gz OPOSZPHTTOGMOK-WDEREUQCSA-N 2 0 237.351 1.078 20 0 BDADRP C[NH2+][C@H](C)Cc1noc([C@@H]2CCCC[C@@H]2[NH3+])n1 ZINC000900008269 584264933 /nfs/dbraw/zinc/26/49/33/584264933.db2.gz CHEYKSRDDCDLHR-BBBLOLIVSA-N 2 0 238.335 1.205 20 0 BDADRP CC(C)C[C@H](O)C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902349540 584559685 /nfs/dbraw/zinc/55/96/85/584559685.db2.gz XKKRDUBCXDSGMN-STQMWFEESA-N 2 0 242.407 1.761 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@H](O)C2CCC2)C1 ZINC000902386284 584578098 /nfs/dbraw/zinc/57/80/98/584578098.db2.gz DXNSXXWNMATXEF-OLZOCXBDSA-N 2 0 240.391 1.515 20 0 BDADRP C[C@@H](CCCO)C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902386403 584578290 /nfs/dbraw/zinc/57/82/90/584578290.db2.gz DESIMKAQVHOJJE-QWHCGFSZSA-N 2 0 242.407 1.763 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902386401 584578513 /nfs/dbraw/zinc/57/85/13/584578513.db2.gz DESIMKAQVHOJJE-CHWSQXEVSA-N 2 0 242.407 1.763 20 0 BDADRP CC(C)(CO)CC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902387311 584579259 /nfs/dbraw/zinc/57/92/59/584579259.db2.gz JJGFSLGYMIWBLN-LBPRGKRZSA-N 2 0 242.407 1.763 20 0 BDADRP C[C@@H](CC(C)(C)O)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902388253 584579711 /nfs/dbraw/zinc/57/97/11/584579711.db2.gz NASWRSQGCQUSOS-NWDGAFQWSA-N 2 0 242.407 1.904 20 0 BDADRP CC[C@@H](C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)OC ZINC000902388285 584579808 /nfs/dbraw/zinc/57/98/08/584579808.db2.gz OIBUZDCMVQLUJU-RYUDHWBXSA-N 2 0 228.380 1.779 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H](CO)C2CCC2)C1 ZINC000902391459 584581835 /nfs/dbraw/zinc/58/18/35/584581835.db2.gz GEOOMLPYWBOHPH-OLZOCXBDSA-N 2 0 240.391 1.515 20 0 BDADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCC1([NH3+])CC1 ZINC000902403769 584588327 /nfs/dbraw/zinc/58/83/27/584588327.db2.gz BCXHNIMNHRQQBM-RYUDHWBXSA-N 2 0 225.380 1.378 20 0 BDADRP NOCCC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000902416628 584590691 /nfs/dbraw/zinc/59/06/91/584590691.db2.gz VFWSCZGOMFVKQI-NWDGAFQWSA-N 2 0 221.304 1.001 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902434288 584595931 /nfs/dbraw/zinc/59/59/31/584595931.db2.gz NDVHIZHQHHZWNE-SPWCGHHHSA-N 2 0 245.370 1.328 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cnn(CCF)c1 ZINC000902444325 584598225 /nfs/dbraw/zinc/59/82/25/584598225.db2.gz GWRDDOQXTOXQKY-NWDGAFQWSA-N 2 0 240.326 1.070 20 0 BDADRP CC[NH+]1CCC(N[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000902445360 584599057 /nfs/dbraw/zinc/59/90/57/584599057.db2.gz LRVGZQXJQCXFOB-LBPRGKRZSA-N 2 0 225.380 1.058 20 0 BDADRP CC1(C)[C@H]([NH2+]CC2([NH3+])CC2)[C@@H]2CCCO[C@H]21 ZINC000902414106 584599438 /nfs/dbraw/zinc/59/94/38/584599438.db2.gz SOCCUDFCYNWVFE-HBNTYKKESA-N 2 0 224.348 1.271 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C1CC[NH+](C)CC1 ZINC000902473001 584601567 /nfs/dbraw/zinc/60/15/67/584601567.db2.gz NWSJJXBUOQXJRJ-AHLTXXRQSA-N 3 0 237.391 1.199 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](NC[C@H]2CCCCC[NH2+]2)C1 ZINC000902474087 584602267 /nfs/dbraw/zinc/60/22/67/584602267.db2.gz AEIPFRBHONDXPA-FRRDWIJNSA-N 2 0 225.380 1.378 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@H]1CCCCC[NH2+]1 ZINC000902477111 584603260 /nfs/dbraw/zinc/60/32/60/584603260.db2.gz PQBNYOWDNCEQCH-MJBXVCDLSA-N 2 0 239.407 1.626 20 0 BDADRP CC[C@H]([NH2+][C@H]1C[NH2+]CC1(C)C)[C@@H]1CCOC1 ZINC000902450137 584606515 /nfs/dbraw/zinc/60/65/15/584606515.db2.gz RBTWNPYTVJQKSX-WOPDTQHZSA-N 2 0 226.364 1.389 20 0 BDADRP C1[C@@H]2[C@H]1[C@@H]1O[C@H]2C[C@H]1[NH2+][C@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000902452147 584607620 /nfs/dbraw/zinc/60/76/20/584607620.db2.gz JGPPGJKQNTXEOB-YKDQSHDXSA-N 2 0 248.370 1.140 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1cncs1 ZINC000902454477 584608848 /nfs/dbraw/zinc/60/88/48/584608848.db2.gz HWIOAYFIDOOZPK-VHSXEESVSA-N 2 0 243.376 1.548 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1NCC[N@@H+]1CCC(C)(C)C1 ZINC000902456657 584610268 /nfs/dbraw/zinc/61/02/68/584610268.db2.gz QADQPTLNIXCPQH-STQMWFEESA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c1cncs1 ZINC000902456386 584610292 /nfs/dbraw/zinc/61/02/92/584610292.db2.gz ONPVSRYJDUDCNX-XHNCKOQMSA-N 2 0 213.350 1.920 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC000902458529 584610993 /nfs/dbraw/zinc/61/09/93/584610993.db2.gz VOKJLUOZLRFZGH-PJSNJIKXSA-N 2 0 208.349 1.892 20 0 BDADRP C1CCC2(C1)[NH2+]CC[C@@H]2N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902461237 584611242 /nfs/dbraw/zinc/61/12/42/584611242.db2.gz MXJPJIOHUMMOLR-LOWDOPEQSA-N 2 0 235.375 1.144 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000902469060 584615632 /nfs/dbraw/zinc/61/56/32/584615632.db2.gz ORHZDBKDPSJOPQ-KIJLLGNVSA-N 2 0 224.348 1.427 20 0 BDADRP CC[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@@H]1CCOC1 ZINC000902472135 584617189 /nfs/dbraw/zinc/61/71/89/584617189.db2.gz XQQQPVWHVQPHDE-KSSYENDESA-N 2 0 224.348 1.284 20 0 BDADRP Cc1ncccc1CC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000902512725 584623086 /nfs/dbraw/zinc/62/30/86/584623086.db2.gz IZYYKKBWWRVAAP-KBPBESRZSA-N 2 0 245.370 1.792 20 0 BDADRP Cc1ncccc1CC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000902511091 584623163 /nfs/dbraw/zinc/62/31/63/584623163.db2.gz BUTPTIXSYTWZKY-MNOVXSKESA-N 2 0 221.348 1.648 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1NC[C@@H]1CCCCC[NH2+]1 ZINC000902484005 584624593 /nfs/dbraw/zinc/62/45/93/584624593.db2.gz UPMUIAACJYQEQQ-BFHYXJOUSA-N 2 0 239.407 1.768 20 0 BDADRP Cc1cc([C@@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)n(C)n1 ZINC000902485205 584624628 /nfs/dbraw/zinc/62/46/28/584624628.db2.gz JAYRPGYOSKZXMB-GMTAPVOTSA-N 2 0 222.336 1.116 20 0 BDADRP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)C1CCOCC1 ZINC000902485595 584625363 /nfs/dbraw/zinc/62/53/63/584625363.db2.gz BGBVADLAXJVVRO-CKYFFXLPSA-N 2 0 212.337 1.128 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C1(C)C ZINC000902486685 584625710 /nfs/dbraw/zinc/62/57/10/584625710.db2.gz HUSOLVMNMQNFDA-KKOKHZNYSA-N 2 0 226.364 1.517 20 0 BDADRP C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902486954 584625893 /nfs/dbraw/zinc/62/58/93/584625893.db2.gz HYCHZFHYRJIMTJ-NMFUWQPSSA-N 2 0 247.386 1.272 20 0 BDADRP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)[C@@H]1CCCOC1 ZINC000902486565 584626064 /nfs/dbraw/zinc/62/60/64/584626064.db2.gz QUGZNGDTQYNUKP-YFKTTZPYSA-N 2 0 212.337 1.128 20 0 BDADRP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccc2c(c1)OCO2 ZINC000902488209 584627048 /nfs/dbraw/zinc/62/70/48/584627048.db2.gz LEOHCXFKOSWERG-CKYFFXLPSA-N 2 0 248.326 1.803 20 0 BDADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000902488940 584627370 /nfs/dbraw/zinc/62/73/70/584627370.db2.gz OTGNKSWGZGCCFL-QSLWVIQJSA-N 3 0 237.391 1.234 20 0 BDADRP C[C@@H]([NH2+][C@@H](c1ccncc1)C1CC1)C1C[NH2+]C1 ZINC000902521686 584631560 /nfs/dbraw/zinc/63/15/60/584631560.db2.gz SQHAISOBHULSIB-QMTHXVAHSA-N 2 0 231.343 1.730 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000903183782 584733760 /nfs/dbraw/zinc/73/37/60/584733760.db2.gz QOAUOQAZJBSUDK-ZIAGYGMSSA-N 2 0 245.326 1.991 20 0 BDADRP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000903195802 584734548 /nfs/dbraw/zinc/73/45/48/584734548.db2.gz ATCFSEUBDIQBCI-QNWHQSFQSA-N 2 0 226.364 1.484 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]Cc2cc(N(C)C)ccn2)CO1 ZINC000903197972 584734741 /nfs/dbraw/zinc/73/47/41/584734741.db2.gz YEIYQZOMNUFVFS-TZMCWYRMSA-N 2 0 249.358 1.805 20 0 BDADRP OC/C=C\C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903201675 584735218 /nfs/dbraw/zinc/73/52/18/584735218.db2.gz ZLVCQGLVYUSTEI-STHOBIQESA-N 2 0 236.359 1.282 20 0 BDADRP C1CC1[N@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1CCOC1)C2 ZINC000903191503 584735840 /nfs/dbraw/zinc/73/58/40/584735840.db2.gz AEUHGPXMHUUGMH-WDFAYWTNSA-N 2 0 236.359 1.523 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCN2C)[C@@H](C)C1 ZINC000903321607 584747051 /nfs/dbraw/zinc/74/70/51/584747051.db2.gz AXOQWOHIYNEDNS-XQQFMLRXSA-N 2 0 225.380 1.010 20 0 BDADRP C[C@H]1COC[C@@H]1[NH2+]CCN1CCC(C)(C)C1 ZINC000903345699 584753231 /nfs/dbraw/zinc/75/32/31/584753231.db2.gz YUOXQDWWXDSOBT-RYUDHWBXSA-N 2 0 226.364 1.343 20 0 BDADRP C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@@H]1C)C(C)(C)O ZINC000903391082 584756128 /nfs/dbraw/zinc/75/61/28/584756128.db2.gz QRYVNCGUEBXSKI-JBLDHEPKSA-N 2 0 226.364 1.218 20 0 BDADRP C[C@@H]1COC[C@@H]1[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000903393343 584756545 /nfs/dbraw/zinc/75/65/45/584756545.db2.gz LILZTPGDSSNKKL-WOPDTQHZSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@H]1COC[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000903397330 584757258 /nfs/dbraw/zinc/75/72/58/584757258.db2.gz WSLNGAPZBBCGBH-SMDDNHRTSA-N 2 0 238.375 1.485 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)C1 ZINC000903431066 584761396 /nfs/dbraw/zinc/76/13/96/584761396.db2.gz LBFLFIUNXYLITL-RWMBFGLXSA-N 2 0 248.374 1.717 20 0 BDADRP CCCCC[N@H+](CCO)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903430641 584761449 /nfs/dbraw/zinc/76/14/49/584761449.db2.gz YXYQJLNQOFGQNS-OLZOCXBDSA-N 2 0 228.380 1.598 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903420542 584763845 /nfs/dbraw/zinc/76/38/45/584763845.db2.gz BTTLEPUYGIBDIJ-UPJWGTAASA-N 3 0 225.380 1.045 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@H](n3ccnn3)C2)C1 ZINC000903459421 584766080 /nfs/dbraw/zinc/76/60/80/584766080.db2.gz JQYKQOTWDBEIQJ-XQQFMLRXSA-N 2 0 249.362 1.042 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCc1ccns1 ZINC000903459322 584766109 /nfs/dbraw/zinc/76/61/09/584766109.db2.gz GSLSIRDJVPEUMU-GHMZBOCLSA-N 2 0 225.361 1.545 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CCCOC1 ZINC000903459459 584766214 /nfs/dbraw/zinc/76/62/14/584766214.db2.gz TZLSQODAVIQDBO-VOAKCMCISA-N 2 0 226.364 1.247 20 0 BDADRP [NH3+][C@H]1Cc2ccccc2N(C[C@H]2CCC[NH2+]2)C1 ZINC000903459895 584766463 /nfs/dbraw/zinc/76/64/63/584766463.db2.gz PZQPQWFSRCVCBZ-QWHCGFSZSA-N 2 0 231.343 1.128 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)CCCn1ccnc1 ZINC000903460616 584766494 /nfs/dbraw/zinc/76/64/94/584766494.db2.gz FRRGXHZEYWCIPX-OLZOCXBDSA-N 2 0 236.363 1.061 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000903443611 584768475 /nfs/dbraw/zinc/76/84/75/584768475.db2.gz FLPDVKOCLZXHPK-MBNYWOFBSA-N 2 0 237.391 1.010 20 0 BDADRP C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCN(C2CC2)C1 ZINC000903443989 584768927 /nfs/dbraw/zinc/76/89/27/584768927.db2.gz MAUAGPAFFDEJMD-DYEKYZERSA-N 2 0 237.391 1.282 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000903444732 584769325 /nfs/dbraw/zinc/76/93/25/584769325.db2.gz VMXGHARJWKZLER-ZOBORPQBSA-N 2 0 239.407 1.256 20 0 BDADRP CC[N@H+](C)C[C@H]1CCN(C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903444980 584769629 /nfs/dbraw/zinc/76/96/29/584769629.db2.gz HDDBTAGTXUASKK-MCIONIFRSA-N 2 0 239.407 1.116 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C/C=C/Cl ZINC000903446606 584770132 /nfs/dbraw/zinc/77/01/32/584770132.db2.gz ZNDPKWDDEINOKG-PTDMGADSSA-N 2 0 214.740 1.669 20 0 BDADRP COC[C@@H](C[NH2+]CC1([NH3+])CCC1)C(C)C ZINC000903447563 584770578 /nfs/dbraw/zinc/77/05/78/584770578.db2.gz YDMDRFBWISNMAB-LLVKDONJSA-N 2 0 214.353 1.376 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000903447092 584770894 /nfs/dbraw/zinc/77/08/94/584770894.db2.gz DIYNWIOGCSPXKP-HGCLJGPKSA-N 2 0 244.329 1.947 20 0 BDADRP C[C@@H](c1ncccn1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000903450341 584771735 /nfs/dbraw/zinc/77/17/35/584771735.db2.gz UGEJTQJGZOJRBF-NWDGAFQWSA-N 2 0 234.347 1.598 20 0 BDADRP C([C@H]1CCC[NH2+]1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000903452227 584771741 /nfs/dbraw/zinc/77/17/41/584771741.db2.gz JROFNDHZLWMRFW-UONOGXRCSA-N 2 0 237.391 1.060 20 0 BDADRP CC[N@@H+]1C[C@H](C)N(C[C@@H]2C[NH2+]C[C@H]2C)C[C@H]1C ZINC000903454589 584773200 /nfs/dbraw/zinc/77/32/00/584773200.db2.gz DLXACHGKPMZAHA-MQYQWHSLSA-N 2 0 239.407 1.256 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H]2c2ncc[nH]2)C1 ZINC000903457043 584774008 /nfs/dbraw/zinc/77/40/08/584774008.db2.gz LEIPCGQUZDEVOI-QJPTWQEYSA-N 2 0 234.347 1.674 20 0 BDADRP OCCCCCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903468851 584774781 /nfs/dbraw/zinc/77/47/81/584774781.db2.gz OUPXQMRXCQQJHA-LBPRGKRZSA-N 2 0 226.364 1.413 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903481917 584778849 /nfs/dbraw/zinc/77/88/49/584778849.db2.gz QGDKYZYTYOBIID-YNEHKIRRSA-N 2 0 238.375 1.676 20 0 BDADRP C[C@@H](c1ncccn1)[N@H+](C)CCCCCC[NH3+] ZINC000903482417 584779055 /nfs/dbraw/zinc/77/90/55/584779055.db2.gz GSUXFDAPPDJLLL-LBPRGKRZSA-N 2 0 236.363 1.989 20 0 BDADRP C[NH2+]CCC[N@@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000903491137 584780973 /nfs/dbraw/zinc/78/09/73/584780973.db2.gz XBUUPINJXQPKIK-CABCVRRESA-N 2 0 230.355 1.869 20 0 BDADRP CCCCOC(=O)CCN1C[C@H]([NH3+])C(C)(C)C1 ZINC000903557281 584783179 /nfs/dbraw/zinc/78/31/79/584783179.db2.gz MQMRHVGFOVALRT-NSHDSACASA-N 2 0 242.363 1.389 20 0 BDADRP C[C@@H]1CCCN(C[C@@H]2CCCC[NH2+]C2)[C@@H]1C[NH3+] ZINC000903716684 584791756 /nfs/dbraw/zinc/79/17/56/584791756.db2.gz BRZQTGOSVQCACN-MGPQQGTHSA-N 2 0 239.407 1.435 20 0 BDADRP CCCC[N@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717402 584792507 /nfs/dbraw/zinc/79/25/07/584792507.db2.gz QIEYCPARHRVBGO-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@]12CSC[C@H]1C[N@H+](CC1CC[NH2+]CC1)C2 ZINC000903712505 584792715 /nfs/dbraw/zinc/79/27/15/584792715.db2.gz MPCKZZMQMLFEAQ-OLZOCXBDSA-N 2 0 240.416 1.671 20 0 BDADRP C[NH2+]C[C@@H]1CCCN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000903713667 584793419 /nfs/dbraw/zinc/79/34/19/584793419.db2.gz YZTMRKSMFKYFFG-KBPBESRZSA-N 2 0 239.407 1.308 20 0 BDADRP C[NH2+]C[C@@H]1C[C@H](F)CN1CC1CC(C)C1 ZINC000903748039 584794614 /nfs/dbraw/zinc/79/46/14/584794614.db2.gz YELBSTBZAMJWQP-QQFIATSDSA-N 2 0 214.328 1.664 20 0 BDADRP CC[C@@H]1CN(C[C@@H]2CCCC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000903747070 584794936 /nfs/dbraw/zinc/79/49/36/584794936.db2.gz OWWVEZPIHQXNGJ-MCIONIFRSA-N 2 0 239.407 1.435 20 0 BDADRP CC[N@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)C1CCC1 ZINC000903735138 584795986 /nfs/dbraw/zinc/79/59/86/584795986.db2.gz YBPOVFHICNJNSC-KGLIPLIRSA-N 2 0 238.375 1.629 20 0 BDADRP CC[C@H](C)[N@H+](CC)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903767926 584798227 /nfs/dbraw/zinc/79/82/27/584798227.db2.gz JNDHCOJBXVXHGQ-MELADBBJSA-N 2 0 240.391 1.875 20 0 BDADRP OCC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903768682 584798364 /nfs/dbraw/zinc/79/83/64/584798364.db2.gz PABONHHAMZYOOX-KGLIPLIRSA-N 2 0 240.391 1.613 20 0 BDADRP CCC[N@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903756362 584798426 /nfs/dbraw/zinc/79/84/26/584798426.db2.gz QLPHEFCLFNAFRT-UONOGXRCSA-N 2 0 238.375 1.629 20 0 BDADRP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[NH+](C1CC1)C1CC1 ZINC000903770851 584798530 /nfs/dbraw/zinc/79/85/30/584798530.db2.gz ZLZSJFBOWTXBMB-KBPBESRZSA-N 2 0 236.359 1.382 20 0 BDADRP CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903757290 584798561 /nfs/dbraw/zinc/79/85/61/584798561.db2.gz BQBGTCUQNJAOAN-XUXIUFHCSA-N 2 0 240.391 1.779 20 0 BDADRP CC1(C)CC[NH2+]CCN1C[C@H]1CCCC[NH2+]C1 ZINC000903778469 584799595 /nfs/dbraw/zinc/79/95/95/584799595.db2.gz NIAFRPXNFYSINU-ZDUSSCGKSA-N 2 0 239.407 1.450 20 0 BDADRP CC1(C)C[C@H](O)C[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903778025 584799929 /nfs/dbraw/zinc/79/99/29/584799929.db2.gz IUGZKINHEJKNOG-OLZOCXBDSA-N 2 0 240.391 1.469 20 0 BDADRP COCC1([N@H+](C)C[C@@H]2CCCC[NH2+]C2)CCC1 ZINC000903782006 584800161 /nfs/dbraw/zinc/80/01/61/584800161.db2.gz DBPWCBPQQONSQV-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP [NH3+]CCC[N@@H+]1CCCSC[C@@H]1C1CC1 ZINC000903825703 584804577 /nfs/dbraw/zinc/80/45/77/584804577.db2.gz CPSLQPLZJGPEMU-LLVKDONJSA-N 2 0 214.378 1.553 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CCCSC[C@H]1C1CC1 ZINC000903827487 584805093 /nfs/dbraw/zinc/80/50/93/584805093.db2.gz UKHOOTCIMOQBHG-LBPRGKRZSA-N 2 0 244.404 1.179 20 0 BDADRP C([C@@H]1CC[NH2+]C1)[N@@H+]1CCCSC[C@H]1C1CC1 ZINC000903825962 584805099 /nfs/dbraw/zinc/80/50/99/584805099.db2.gz GFRCQFQMPJOGHP-YPMHNXCESA-N 2 0 240.416 1.813 20 0 BDADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@H]1C[C@]13CCOC3)C2 ZINC000903838268 584806581 /nfs/dbraw/zinc/80/65/81/584806581.db2.gz AWPCUMPWGGZNDB-ZSLBOAEBSA-N 2 0 236.359 1.225 20 0 BDADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@H]1CCCC[NH2+]C1)C2 ZINC000903838779 584807142 /nfs/dbraw/zinc/80/71/42/584807142.db2.gz FAXJJCGWFBCCPM-XUXIUFHCSA-N 3 0 237.391 1.188 20 0 BDADRP NC[C@@]12CC[C@@H]1CC[N@@H+]2CC1CC=CC1 ZINC000903856620 584809283 /nfs/dbraw/zinc/80/92/83/584809283.db2.gz AOJBSSJUPWXYKE-OLZOCXBDSA-N 2 0 206.333 1.766 20 0 BDADRP NC[C@@]12CC[C@@H]1CC[N@@H+]2CCCCCC[NH3+] ZINC000903861429 584812131 /nfs/dbraw/zinc/81/21/31/584812131.db2.gz WWOTYSPEAKZDJG-OLZOCXBDSA-N 2 0 225.380 1.319 20 0 BDADRP [NH3+]C[C@]12CC[C@@H]1CCN2C[C@H]1CCCC[NH2+]C1 ZINC000903862644 584812903 /nfs/dbraw/zinc/81/29/03/584812903.db2.gz AZINHDVXAYENHZ-BFHYXJOUSA-N 3 0 237.391 1.189 20 0 BDADRP CCn1cc(CCN2CCC[C@]23CC[NH2+]C3)cn1 ZINC000903871351 584815350 /nfs/dbraw/zinc/81/53/50/584815350.db2.gz SLWWKGWDOYEHEK-CQSZACIVSA-N 2 0 248.374 1.273 20 0 BDADRP CCCN(C[C@H]([NH3+])CC(F)F)C1CC[NH2+]CC1 ZINC000903873522 584815690 /nfs/dbraw/zinc/81/56/90/584815690.db2.gz JBMPTKXZMPDRAS-SNVBAGLBSA-N 2 0 249.349 1.433 20 0 BDADRP COCC(C)(C)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903900013 584820456 /nfs/dbraw/zinc/82/04/56/584820456.db2.gz XYZZSDTYVHVINB-YOGCLGLASA-N 2 0 226.364 1.532 20 0 BDADRP [NH3+][C@H](CC(F)F)CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000903905422 584820951 /nfs/dbraw/zinc/82/09/51/584820951.db2.gz FHJUBHMFPYMYQU-ZYHUDNBSSA-N 2 0 247.333 1.044 20 0 BDADRP [NH3+][C@@H](CC(F)F)CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000903905420 584821307 /nfs/dbraw/zinc/82/13/07/584821307.db2.gz FHJUBHMFPYMYQU-JQWIXIFHSA-N 2 0 247.333 1.044 20 0 BDADRP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCOCC12CC2 ZINC000903909353 584821797 /nfs/dbraw/zinc/82/17/97/584821797.db2.gz UHSRIZQBTVGVJW-YHWZYXNKSA-N 2 0 236.359 1.382 20 0 BDADRP [NH3+]CC[C@@H]1CCCCN1C[C@@H]([NH3+])CC(F)F ZINC000903918412 584822514 /nfs/dbraw/zinc/82/25/14/584822514.db2.gz ZCMNLNIDRXHJTL-UWVGGRQHSA-N 2 0 235.322 1.172 20 0 BDADRP CC[C@H]1C[C@H](C[NH2+]CCC(C)(C)[NH3+])CCO1 ZINC000903939180 584822897 /nfs/dbraw/zinc/82/28/97/584822897.db2.gz SXZKUJBQOHUALU-NEPJUHHUSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903921011 584823131 /nfs/dbraw/zinc/82/31/31/584823131.db2.gz ZOYYSULUSQSSKT-ODWCKFRGSA-N 3 0 225.380 1.234 20 0 BDADRP [NH3+][C@H](C[NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)CC(F)F ZINC000903920241 584823305 /nfs/dbraw/zinc/82/33/05/584823305.db2.gz HOZNDOGJWCHHTH-ZDCRXTMVSA-N 2 0 248.317 1.516 20 0 BDADRP CC[C@@H]([NH3+])CNCc1cccc2c1CC[NH2+]C2 ZINC000903918795 584823388 /nfs/dbraw/zinc/82/33/88/584823388.db2.gz IHFUZGCWSSJSJI-CYBMUJFWSA-N 2 0 233.359 1.159 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903918762 584823412 /nfs/dbraw/zinc/82/34/12/584823412.db2.gz HEUSOYQSSNRJDB-YEKKKDRXSA-N 3 0 237.391 1.377 20 0 BDADRP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC2(CC[NH2+]2)CC1 ZINC000903929875 584824081 /nfs/dbraw/zinc/82/40/81/584824081.db2.gz NKTPFAOAPQCDRV-AGUYFDCRSA-N 2 0 249.402 1.345 20 0 BDADRP [NH3+][C@H](CC(F)F)CN1CCCCC[C@@H]([NH3+])C1 ZINC000903934197 584824949 /nfs/dbraw/zinc/82/49/49/584824949.db2.gz DHSNJMGGMGHCPS-NXEZZACHSA-N 2 0 235.322 1.172 20 0 BDADRP C[C@H](C[NH2+]C[C@@H]([NH3+])CC(F)F)c1ccncc1 ZINC000903935510 584825918 /nfs/dbraw/zinc/82/59/18/584825918.db2.gz QVOZZYQXCNBYAX-KOLCDFICSA-N 2 0 243.301 1.757 20 0 BDADRP CC(=O)Nc1ccccc1C[NH2+]CCC(C)(C)[NH3+] ZINC000903938499 584826345 /nfs/dbraw/zinc/82/63/45/584826345.db2.gz DTVGFOPBSJSRKM-UHFFFAOYSA-N 2 0 249.358 1.862 20 0 BDADRP CCC1([NH3+])CCN(C[C@H]([NH3+])CC(F)F)CC1 ZINC000903948163 584829897 /nfs/dbraw/zinc/82/98/97/584829897.db2.gz MFBIGQSUCGSPMX-SECBINFHSA-N 2 0 235.322 1.172 20 0 BDADRP CC[NH+]1CCC(NCc2cc(N)cc[nH+]2)CC1 ZINC000903949859 584829960 /nfs/dbraw/zinc/82/99/60/584829960.db2.gz FSQBONWFTYGXHO-UHFFFAOYSA-N 2 0 234.347 1.238 20 0 BDADRP CCC1([NH3+])CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000903949147 584829977 /nfs/dbraw/zinc/82/99/77/584829977.db2.gz ZDINZYQXHZNKSX-GFCCVEGCSA-N 2 0 225.380 1.189 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCCSC1 ZINC000903973455 584832469 /nfs/dbraw/zinc/83/24/69/584832469.db2.gz DKLMNLWWSVHQQS-IJLUTSLNSA-N 2 0 228.405 1.717 20 0 BDADRP C[C@@H]1CN(CC[NH2+]C(C)(C)C)C[C@H]1CC[NH3+] ZINC000903978513 584832938 /nfs/dbraw/zinc/83/29/38/584832938.db2.gz OSLZSBKVGZVZNU-VXGBXAGGSA-N 2 0 227.396 1.291 20 0 BDADRP Cc1cn[nH]c1C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903978466 584833027 /nfs/dbraw/zinc/83/30/27/584833027.db2.gz GIVVSOWUONDYPW-MWLCHTKSSA-N 2 0 222.336 1.053 20 0 BDADRP CC[C@@H](COC)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903978663 584833263 /nfs/dbraw/zinc/83/32/63/584833263.db2.gz JRHMFIJTAPQDOU-UTUOFQBUSA-N 2 0 214.353 1.247 20 0 BDADRP C[C@H](CC1CCOCC1)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000903963731 584833335 /nfs/dbraw/zinc/83/33/35/584833335.db2.gz HISTVSJMJYLUJW-NQBHXWOUSA-N 2 0 226.364 1.389 20 0 BDADRP COC[C@H](C)C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903979219 584833349 /nfs/dbraw/zinc/83/33/49/584833349.db2.gz YVCRSEZMNRQQGL-IJLUTSLNSA-N 2 0 214.353 1.104 20 0 BDADRP COC[C@H](CC(C)C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903967712 584834980 /nfs/dbraw/zinc/83/49/80/584834980.db2.gz LNVCPLAQAVEYSE-AGIUHOORSA-N 2 0 228.380 1.493 20 0 BDADRP C1CC1[C@@H]1OCC[C@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000903987195 584835985 /nfs/dbraw/zinc/83/59/85/584835985.db2.gz YFZVWULYZVYASS-XQQFMLRXSA-N 2 0 224.348 1.286 20 0 BDADRP C[NH2+]C1CCN(C[C@@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904299281 584860165 /nfs/dbraw/zinc/86/01/65/584860165.db2.gz AGMGIXSQYOFBON-LBPRGKRZSA-N 2 0 241.423 1.824 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC000904299918 584860505 /nfs/dbraw/zinc/86/05/05/584860505.db2.gz RNQZQCQABOMFRU-CQSZACIVSA-N 3 0 233.359 1.187 20 0 BDADRP CN(C[C@H]([NH3+])CCC(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000904299674 584860551 /nfs/dbraw/zinc/86/05/51/584860551.db2.gz LLDCJPHEHBTSQI-NEPJUHHUSA-N 2 0 227.396 1.434 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC000904300001 584860632 /nfs/dbraw/zinc/86/06/32/584860632.db2.gz TXIIRXPRMAQROP-LBPRGKRZSA-N 2 0 227.396 1.563 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CN1CCC[C@H]([NH3+])C1 ZINC000904299566 584860794 /nfs/dbraw/zinc/86/07/94/584860794.db2.gz IACJLHKTWQLZNU-NWDGAFQWSA-N 2 0 227.396 1.563 20 0 BDADRP C[C@]1(CN2CCC[C@@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000904300126 584861293 /nfs/dbraw/zinc/86/12/93/584861293.db2.gz WRJSPMVSOKSAIN-STQMWFEESA-N 2 0 225.380 1.047 20 0 BDADRP C[C@@H]1[NH2+]CCN(C[C@@H]([NH3+])CCC(C)(C)C)[C@H]1C ZINC000904301161 584861403 /nfs/dbraw/zinc/86/14/03/584861403.db2.gz HYLUHZWCJWHZBB-AVGNSLFASA-N 2 0 241.423 1.822 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccc(C[NH3+])cc2)CC[C@H]1[NH3+] ZINC000904300197 584861436 /nfs/dbraw/zinc/86/14/36/584861436.db2.gz YRFITZKYCKYYMQ-BXUZGUMPSA-N 3 0 233.359 1.314 20 0 BDADRP CCCN(CCO)C[C@@H]([NH3+])CCC(C)(C)C ZINC000904303877 584861688 /nfs/dbraw/zinc/86/16/88/584861688.db2.gz KLPPBLKYZJTUDM-LBPRGKRZSA-N 2 0 230.396 1.844 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCCC[C@@H]2c2ncc[nH]2)C1 ZINC000904315986 584862660 /nfs/dbraw/zinc/86/26/60/584862660.db2.gz HVKVHQMBFPLALB-GRYCIOLGSA-N 2 0 234.347 1.674 20 0 BDADRP COC(=O)[C@@H](C)C[N@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904311816 584862718 /nfs/dbraw/zinc/86/27/18/584862718.db2.gz HTQVNNHHQXBCQO-AAEUAGOBSA-N 2 0 242.363 1.117 20 0 BDADRP COC(=O)[C@H](C)C[N@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904311817 584862764 /nfs/dbraw/zinc/86/27/64/584862764.db2.gz HTQVNNHHQXBCQO-DGCLKSJQSA-N 2 0 242.363 1.117 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)C1 ZINC000904313225 584863165 /nfs/dbraw/zinc/86/31/65/584863165.db2.gz XDZZWXKJXQLOGY-SDDRHHMPSA-N 2 0 234.347 1.326 20 0 BDADRP CN1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)Cc2ccccc21 ZINC000904337707 584863232 /nfs/dbraw/zinc/86/32/32/584863232.db2.gz FUILOYPVIIMYQU-XBXGTLAGSA-N 2 0 245.370 1.676 20 0 BDADRP C[C@@]1(C[N@H+](CCCO)C2CC2)CCC[NH2+]C1 ZINC000904320415 584863798 /nfs/dbraw/zinc/86/37/98/584863798.db2.gz GNIMTFXPLXFUQA-CYBMUJFWSA-N 2 0 226.364 1.223 20 0 BDADRP C[C@H](O)CC[N@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904322075 584864680 /nfs/dbraw/zinc/86/46/80/584864680.db2.gz NXKWEZGETJTYDP-NWDGAFQWSA-N 2 0 214.353 1.079 20 0 BDADRP C[N@H+](CC1(CO)CC1)C[C@]1(C)CCC[NH2+]C1 ZINC000904338815 584864930 /nfs/dbraw/zinc/86/49/30/584864930.db2.gz VEENIBCGMQMEBP-GFCCVEGCSA-N 2 0 226.364 1.080 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1n1ccnc1 ZINC000904327959 584865070 /nfs/dbraw/zinc/86/50/70/584865070.db2.gz JZQQUUAIOHJIHO-YIYPIFLZSA-N 2 0 248.374 1.503 20 0 BDADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904325404 584865231 /nfs/dbraw/zinc/86/52/31/584865231.db2.gz YIIUDHTVBKULKM-MELADBBJSA-N 3 0 239.407 1.387 20 0 BDADRP C[C@H](O)[C@H]1CC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904332575 584865914 /nfs/dbraw/zinc/86/59/14/584865914.db2.gz RXDDVOLJUBRIDT-AVGNSLFASA-N 2 0 226.364 1.079 20 0 BDADRP CC[C@](C)(CC(=O)OC)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904332539 584866126 /nfs/dbraw/zinc/86/61/26/584866126.db2.gz RDTBUHRTQOWEGS-JFGNBEQYSA-N 2 0 228.336 1.045 20 0 BDADRP CC1(C)C[N@H+](C[C@]2(C)CCC[NH2+]C2)C[C@H]1O ZINC000904346511 584868476 /nfs/dbraw/zinc/86/84/76/584868476.db2.gz SHPQFLCEELKBDV-DGCLKSJQSA-N 2 0 226.364 1.079 20 0 BDADRP COCC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CC[C@@H](C)C1 ZINC000904346203 584868549 /nfs/dbraw/zinc/86/85/49/584868549.db2.gz QSCCUDUDNOFRKK-YIYPIFLZSA-N 2 0 240.391 1.861 20 0 BDADRP CN(C[C@H]([NH3+])CCC(C)(C)C)C1CC([NH3+])C1 ZINC000904350487 584869034 /nfs/dbraw/zinc/86/90/34/584869034.db2.gz NARJQCJMEAMABA-VOMCLLRMSA-N 2 0 227.396 1.562 20 0 BDADRP CCC([NH3+])(CC)CNCc1ccc(C[NH3+])cc1 ZINC000904349852 584869081 /nfs/dbraw/zinc/86/90/81/584869081.db2.gz DGBKSDDTPUPFLN-UHFFFAOYSA-N 2 0 235.375 1.752 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CNCC(C)(C)[NH3+] ZINC000904350292 584869164 /nfs/dbraw/zinc/86/91/64/584869164.db2.gz KHFINBPADKPDST-SNVBAGLBSA-N 2 0 215.385 1.467 20 0 BDADRP C[C@H](C[NH3+])CNC[C@@H]([NH3+])CCC(C)(C)C ZINC000904353013 584869746 /nfs/dbraw/zinc/86/97/46/584869746.db2.gz GDUKWXFMQKVMBI-MNOVXSKESA-N 3 0 215.385 1.324 20 0 BDADRP C[NH2+]Cc1ccc(NC2CC(C[NH3+])C2)cc1 ZINC000904354200 584870271 /nfs/dbraw/zinc/87/02/71/584870271.db2.gz COZORMGWPVDSFL-UHFFFAOYSA-N 2 0 219.332 1.555 20 0 BDADRP C[C@@H](NC[C@H]([NH3+])CCC(C)(C)C)[C@H](C)[NH3+] ZINC000904354145 584870330 /nfs/dbraw/zinc/87/03/30/584870330.db2.gz BEBPCMMCJQNEBC-HBNTYKKESA-N 2 0 215.385 1.465 20 0 BDADRP C[C@H]([NH3+])[C@H](C)NC[C@@H]([NH3+])CCC(C)(C)C ZINC000904354143 584870381 /nfs/dbraw/zinc/87/03/81/584870381.db2.gz BEBPCMMCJQNEBC-DCAQKATOSA-N 2 0 215.385 1.465 20 0 BDADRP Nc1ccc2c(c1)CCC[C@H]2[NH2+]C1CC(C[NH3+])C1 ZINC000904356662 584871459 /nfs/dbraw/zinc/87/14/59/584871459.db2.gz XPCIFSOCOBORPX-JHANDDDOSA-N 2 0 245.370 1.973 20 0 BDADRP CN(C)C(=O)CC[NH2+]C[C@H]([NH3+])CCC(C)(C)C ZINC000904360164 584871668 /nfs/dbraw/zinc/87/16/68/584871668.db2.gz IRNJXDKRDUAUBS-LLVKDONJSA-N 2 0 243.395 1.208 20 0 BDADRP Cc1noc(C)c1C[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904359463 584871676 /nfs/dbraw/zinc/87/16/76/584871676.db2.gz OAZIOCLYYBQCNA-FXAINCCUSA-N 2 0 237.347 1.549 20 0 BDADRP CC(C)(C)[C@@H](C[NH3+])NCc1ccc(C[NH3+])cc1 ZINC000904357872 584871830 /nfs/dbraw/zinc/87/18/30/584871830.db2.gz CLUSUODRGZLUDW-CYBMUJFWSA-N 2 0 235.375 1.608 20 0 BDADRP CCOc1ccccc1CC[NH2+]C1CC(C[NH3+])C1 ZINC000904362370 584871980 /nfs/dbraw/zinc/87/19/80/584871980.db2.gz LCQDOTQPSOHUNX-UHFFFAOYSA-N 2 0 248.370 1.955 20 0 BDADRP C[C@H]1[C@@H]([NH3+])CCN1C[C@H]([NH3+])CCC(C)(C)C ZINC000904358525 584872278 /nfs/dbraw/zinc/87/22/78/584872278.db2.gz OKEFFTBPNVKWST-TUAOUCFPSA-N 2 0 227.396 1.562 20 0 BDADRP C[C@@H]1CN(C[C@H]2C[C@@H]([NH3+])C2)c2ccccc2C[NH2+]1 ZINC000904358727 584872364 /nfs/dbraw/zinc/87/23/64/584872364.db2.gz RTDGROVWNAXWRQ-BZPMIXESSA-N 2 0 245.370 1.722 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CN[C@@H]1CCCC[C@H]1[NH3+] ZINC000904373139 584873694 /nfs/dbraw/zinc/87/36/94/584873694.db2.gz BOAPRVJYFRTQJD-JHJVBQTASA-N 2 0 241.423 2.000 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@@]1(C)CCC[NH2+]C1 ZINC000904372725 584874042 /nfs/dbraw/zinc/87/40/42/584874042.db2.gz HTXUJXVCJWHCKN-AVGNSLFASA-N 2 0 225.380 1.106 20 0 BDADRP [NH3+]CC1CC([NH2+]CCn2cnc3ccccc32)C1 ZINC000904364164 584874185 /nfs/dbraw/zinc/87/41/85/584874185.db2.gz SKKYJJCNWVJOAL-UHFFFAOYSA-N 2 0 244.342 1.363 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCCO1 ZINC000904362972 584874286 /nfs/dbraw/zinc/87/42/86/584874286.db2.gz VOICOMMXLVDURM-USZNOCQGSA-N 2 0 212.337 1.271 20 0 BDADRP [NH3+]CCCCCC[NH2+]Cc1nccn1C1CC1 ZINC000904374959 584874518 /nfs/dbraw/zinc/87/45/18/584874518.db2.gz ZCKFTQYYKQCTHA-UHFFFAOYSA-N 2 0 236.363 1.827 20 0 BDADRP CC1(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)CC1 ZINC000904392853 584875472 /nfs/dbraw/zinc/87/54/72/584875472.db2.gz BJWAYCJTEDCCJM-LBPRGKRZSA-N 2 0 238.375 1.616 20 0 BDADRP C[C@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C2(CCC2)CO1 ZINC000904375678 584875540 /nfs/dbraw/zinc/87/55/40/584875540.db2.gz FENNSHORGMWHIL-SDDRHHMPSA-N 2 0 224.348 1.367 20 0 BDADRP Cn1ccc(C2CC[NH+](C[C@H]3C[C@@H]([NH3+])C3)CC2)n1 ZINC000904389438 584875583 /nfs/dbraw/zinc/87/55/83/584875583.db2.gz YDLNWAMLBJBCPN-BJHJDKERSA-N 2 0 248.374 1.337 20 0 BDADRP C[N@H+](CC1=CCSC1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904378645 584875848 /nfs/dbraw/zinc/87/58/48/584875848.db2.gz GNKSZNXCDSTIID-ZDUSSCGKSA-N 2 0 240.416 1.981 20 0 BDADRP C[C@@H](O)C[N@H+](C[C@@]1(C)CCC[NH2+]C1)C1CC1 ZINC000904377061 584875987 /nfs/dbraw/zinc/87/59/87/584875987.db2.gz IRLUNJCKGGVWOV-YPMHNXCESA-N 2 0 226.364 1.221 20 0 BDADRP C[N@H+](CCN1CCCCC1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904376679 584876126 /nfs/dbraw/zinc/87/61/26/584876126.db2.gz WWHVXTIKGKQAPZ-BETUJISGSA-N 2 0 225.380 1.141 20 0 BDADRP C[C@@H](Cc1ccccn1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904376289 584876378 /nfs/dbraw/zinc/87/63/78/584876378.db2.gz OHOZUQWXRWSLHC-SDDRHHMPSA-N 2 0 219.332 1.340 20 0 BDADRP C[C@H](C[NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccncc1 ZINC000904381503 584876654 /nfs/dbraw/zinc/87/66/54/584876654.db2.gz WSSGKJVYPIWYQA-WZRBSPASSA-N 2 0 219.332 1.512 20 0 BDADRP [NH3+]Cc1ccc(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000904383989 584877156 /nfs/dbraw/zinc/87/71/56/584877156.db2.gz GADRTPVMHCZBSR-OKILXGFUSA-N 2 0 231.343 1.082 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCc3c(O)cccc3C2)C1 ZINC000904381787 584877213 /nfs/dbraw/zinc/87/72/13/584877213.db2.gz UTAWTLGEDCEWFL-KLPPZKSPSA-N 2 0 232.327 1.488 20 0 BDADRP [NH3+]CC1CC(Nc2ccc3c(c2)OCC[NH2+]C3)C1 ZINC000904381818 584877408 /nfs/dbraw/zinc/87/74/08/584877408.db2.gz VHQQUMHEASXHKZ-UHFFFAOYSA-N 2 0 247.342 1.318 20 0 BDADRP [NH3+][C@@H]1C[C@H]1c1ccc(NC[C@@H]2C[C@H]([NH3+])C2)cc1 ZINC000904385452 584877935 /nfs/dbraw/zinc/87/79/35/584877935.db2.gz YSJJYICZJNEPFT-PCGAWMICSA-N 2 0 231.343 1.650 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)C1 ZINC000904385734 584878033 /nfs/dbraw/zinc/87/80/33/584878033.db2.gz DDWCTMILXOUKKS-WUHRBBMRSA-N 2 0 224.348 1.225 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)C1 ZINC000904385733 584878071 /nfs/dbraw/zinc/87/80/71/584878071.db2.gz DDWCTMILXOUKKS-RVMXOQNASA-N 2 0 224.348 1.225 20 0 BDADRP C[C@H](CC1CCC1)[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904385389 584878178 /nfs/dbraw/zinc/87/81/78/584878178.db2.gz XCXZRTWSOKDFDJ-GFCCVEGCSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@H]1C[N@H+](Cc2cnc(N)s2)CC[C@@H]1C[NH3+] ZINC000904410286 584878827 /nfs/dbraw/zinc/87/88/27/584878827.db2.gz OACHMORCFNDFGG-DTWKUNHWSA-N 2 0 240.376 1.142 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccc(N)nc2)CC[C@@H]1C[NH3+] ZINC000904410553 584878939 /nfs/dbraw/zinc/87/89/39/584878939.db2.gz HJZBBNQLASQRGS-ZYHUDNBSSA-N 2 0 234.347 1.081 20 0 BDADRP Cc1cc([C@@H](C)[NH2+][C@H](C)CCCC[NH3+])n(C)n1 ZINC000817976956 584994034 /nfs/dbraw/zinc/99/40/34/584994034.db2.gz XOKRQPHMZDZDJD-ZYHUDNBSSA-N 2 0 238.379 1.897 20 0 BDADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)C2CC2)C1 ZINC000838864223 585076126 /nfs/dbraw/zinc/07/61/26/585076126.db2.gz GXFOKTDAYLNRTP-OCCSQVGLSA-N 2 0 240.391 1.421 20 0 BDADRP C([C@H]1C[C@]12CCOC2)[N@@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000886832172 585181303 /nfs/dbraw/zinc/18/13/03/585181303.db2.gz CFCHUXGCABPSGG-MQYQWHSLSA-N 2 0 236.359 1.239 20 0 BDADRP CC[N@H+](C)C[C@@H]1CCN(CC[NH+]2CCCC2)C1 ZINC000760841856 585398908 /nfs/dbraw/zinc/39/89/08/585398908.db2.gz ADMPFLLDHLFOGR-AWEZNQCLSA-N 2 0 239.407 1.356 20 0 BDADRP CC1CCN(CC[NH2+][C@H](CCO)C2CC2)CC1 ZINC000763067751 585442744 /nfs/dbraw/zinc/44/27/44/585442744.db2.gz PZJJNJYAKFURRN-CQSZACIVSA-N 2 0 240.391 1.469 20 0 BDADRP CC[N@@H+]1C[C@H](C)N(c2cc(C)[nH+]c(N)n2)C[C@H]1C ZINC000765640104 585491816 /nfs/dbraw/zinc/49/18/16/585491816.db2.gz GSMNZDIBPFDAMG-MNOVXSKESA-N 2 0 249.362 1.286 20 0 BDADRP C[N@@H+]1CCN(CC[NH+]2CCCC2)C(C)(C)C1 ZINC000767002800 585512395 /nfs/dbraw/zinc/51/23/95/585512395.db2.gz LTQUZXOYWCDNSR-UHFFFAOYSA-N 2 0 225.380 1.108 20 0 BDADRP C[N@H+](CC1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000770510867 585575318 /nfs/dbraw/zinc/57/53/18/585575318.db2.gz SWXQFLZQFRUDTM-LBPRGKRZSA-N 2 0 212.337 1.049 20 0 BDADRP FCc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000777559692 585715367 /nfs/dbraw/zinc/71/53/67/585715367.db2.gz ISEUDLWCIVQIFX-OKILXGFUSA-N 2 0 234.318 1.807 20 0 BDADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)CCO)C1 ZINC000779340187 585751660 /nfs/dbraw/zinc/75/16/60/585751660.db2.gz HJKHRHKHGBTXJA-NEPJUHHUSA-N 2 0 214.353 1.079 20 0 BDADRP C[C@@H](CCO)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000779383238 585752739 /nfs/dbraw/zinc/75/27/39/585752739.db2.gz MGPNBYVMOHRRCA-LBPRGKRZSA-N 2 0 236.359 1.609 20 0 BDADRP C[C@@H]1CC[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000783240773 585831822 /nfs/dbraw/zinc/83/18/22/585831822.db2.gz QPLWXLZKIJGBBG-MCIONIFRSA-N 2 0 240.391 1.611 20 0 BDADRP CC[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)CCO1 ZINC000788474876 585925231 /nfs/dbraw/zinc/92/52/31/585925231.db2.gz LCCLGPHFQYEJQX-CYBMUJFWSA-N 2 0 226.364 1.439 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cc[nH]c(=O)c1 ZINC000791135042 585974546 /nfs/dbraw/zinc/97/45/46/585974546.db2.gz HLWFYRMGRFCJQH-NSHDSACASA-N 2 0 249.358 1.780 20 0 BDADRP CO[C@H](C)C[NH+](C)CCC[N@@H+](C)C[C@@H](C)OC ZINC000796642630 586108991 /nfs/dbraw/zinc/10/89/91/586108991.db2.gz RCBMSOBZOMMSOM-CHWSQXEVSA-N 2 0 246.395 1.310 20 0 BDADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccoc1 ZINC000809741154 586515898 /nfs/dbraw/zinc/51/58/98/586515898.db2.gz KYTDESBQQLEPOW-UHFFFAOYSA-N 2 0 239.363 1.205 20 0 BDADRP COCC[C@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000815145564 586670250 /nfs/dbraw/zinc/67/02/50/586670250.db2.gz YRASEMYZGWLUPB-UONOGXRCSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCSC(F)(F)F ZINC000817888111 586831767 /nfs/dbraw/zinc/83/17/67/586831767.db2.gz ASGFXAGAGKLSME-RNFRBKRXSA-N 2 0 230.299 1.955 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1COc2ccccc2C1)C1C[NH2+]C1 ZINC000817891664 586832698 /nfs/dbraw/zinc/83/26/98/586832698.db2.gz NATXNODSAKICPJ-VXGBXAGGSA-N 2 0 246.354 1.435 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC000817892688 586832813 /nfs/dbraw/zinc/83/28/13/586832813.db2.gz BPLFKBFIJJHZJR-BPLDGKMQSA-N 2 0 248.370 1.698 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(Cl)nc1 ZINC000817891177 586833284 /nfs/dbraw/zinc/83/32/84/586833284.db2.gz HHFSJPYZBPATKY-BDAKNGLRSA-N 2 0 227.739 1.950 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCNc1ccccc1 ZINC000817901754 586835865 /nfs/dbraw/zinc/83/58/65/586835865.db2.gz YEKUEJXOKBVWAC-NEPJUHHUSA-N 2 0 221.348 1.814 20 0 BDADRP CSC(C)(C)C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000817901464 586836165 /nfs/dbraw/zinc/83/61/65/586836165.db2.gz VUVOMOJGESVGBB-GMTAPVOTSA-N 2 0 246.420 1.470 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@]1(O)CCc2ccccc21 ZINC000817916312 586839132 /nfs/dbraw/zinc/83/91/32/586839132.db2.gz DFVFBEHRBJVXFB-QLFBSQMISA-N 2 0 246.354 1.290 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@](C)(O)c1ccccc1 ZINC000817913613 586839324 /nfs/dbraw/zinc/83/93/24/586839324.db2.gz OLFJMAUAROLMBA-SCRDCRAPSA-N 2 0 236.359 1.610 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H](CCO)C2CC2)c2ccccc21 ZINC000817917782 586840324 /nfs/dbraw/zinc/84/03/24/586840324.db2.gz HTXSFSIJCBWTCK-ILXRZTDVSA-N 2 0 246.354 1.882 20 0 BDADRP C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817950452 586846693 /nfs/dbraw/zinc/84/66/93/586846693.db2.gz YINNRKFOTDGSIL-WFASDCNBSA-N 2 0 247.386 1.228 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817948273 586847063 /nfs/dbraw/zinc/84/70/63/586847063.db2.gz IAQBQBUZAIGQRL-RYUDHWBXSA-N 3 0 235.375 1.403 20 0 BDADRP CC[C@H]([NH2+]CC1C[NH2+]C1)c1ccc2c(c1)CCO2 ZINC000817964679 586854389 /nfs/dbraw/zinc/85/43/89/586854389.db2.gz DHCZBAWNKZUGEQ-AWEZNQCLSA-N 2 0 246.354 1.882 20 0 BDADRP c1[nH]nc2c1[C@H]([NH2+]CCC1=CC[NH2+]CC1)CCC2 ZINC000817986557 586862638 /nfs/dbraw/zinc/86/26/38/586862638.db2.gz RQVQXRMQHKUZDF-CYBMUJFWSA-N 2 0 246.358 1.687 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)C2CC2)C1 ZINC000818981219 586919895 /nfs/dbraw/zinc/91/98/95/586919895.db2.gz STIIILNIMOIQIB-YPMHNXCESA-N 2 0 226.364 1.079 20 0 BDADRP C[NH+](C)CC1CCC([NH2+]C[C@@H](O)C2CC2)CC1 ZINC000819185101 586936780 /nfs/dbraw/zinc/93/67/80/586936780.db2.gz LDDOBPXYXPPFKY-UXUKBGGZSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@H]([NH2+]CCO)c1cccc(C[NH+](C)C)c1 ZINC000820805896 587073527 /nfs/dbraw/zinc/07/35/27/587073527.db2.gz URVGREFEWJNEKS-NSHDSACASA-N 2 0 222.332 1.391 20 0 BDADRP OCCN1CCCC[C@@H]1C[NH2+]Cc1ccoc1 ZINC000824583226 587277873 /nfs/dbraw/zinc/27/78/73/587277873.db2.gz JQPVMIBMAFHEQL-CYBMUJFWSA-N 2 0 238.331 1.216 20 0 BDADRP [NH3+]CCCCCC[NH2+]CC1=CCCOC1 ZINC000863642842 589306701 /nfs/dbraw/zinc/30/67/01/589306701.db2.gz YRUIRMJLHSIENS-UHFFFAOYSA-N 2 0 212.337 1.442 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000831971251 587640320 /nfs/dbraw/zinc/64/03/20/587640320.db2.gz UHTVMTQBSFPQAG-YPMHNXCESA-N 2 0 241.379 1.104 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)CCCCC[NH3+])C1 ZINC000832750110 587683940 /nfs/dbraw/zinc/68/39/40/587683940.db2.gz JOGIDIXAWUXAAF-VXGBXAGGSA-N 2 0 241.379 1.091 20 0 BDADRP Cc1ccc(N2CCC[N@H+](CCC[NH3+])CC2)cc1 ZINC000841003490 587934569 /nfs/dbraw/zinc/93/45/69/587934569.db2.gz VCLVTYJLMLXVJM-UHFFFAOYSA-N 2 0 247.386 1.856 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)c1cccc(C[NH3+])c1 ZINC000841849066 587977691 /nfs/dbraw/zinc/97/76/91/587977691.db2.gz OQSVPRVKOGFNIA-UHFFFAOYSA-N 2 0 249.358 1.393 20 0 BDADRP CC[N@H+](CCCCCCC[NH3+])CC(=O)N(C)C ZINC000842471522 588029306 /nfs/dbraw/zinc/02/93/06/588029306.db2.gz GZGNLPCLRBQAQQ-UHFFFAOYSA-N 2 0 243.395 1.306 20 0 BDADRP [NH3+]Cc1cccc(-c2nc(C3([NH3+])CCC3)no2)c1 ZINC000842614794 588045769 /nfs/dbraw/zinc/04/57/69/588045769.db2.gz KTMMZBIAXFDYAO-UHFFFAOYSA-N 2 0 244.298 1.533 20 0 BDADRP C[N@H+](Cc1ccc2c(c1)COC2)C1CC[NH2+]CC1 ZINC000843045817 588076465 /nfs/dbraw/zinc/07/64/65/588076465.db2.gz KTORLVWQEPTWPD-UHFFFAOYSA-N 2 0 246.354 1.901 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccc3c(c2)COC3)CC[C@H]1[NH3+] ZINC000843051688 588077399 /nfs/dbraw/zinc/07/73/99/588077399.db2.gz KKFYQMSOJUEKIO-IAQYHMDHSA-N 2 0 246.354 1.886 20 0 BDADRP COC(=O)C(C)(C)CC[NH2+]C1CCC([NH3+])CC1 ZINC000843105566 588081508 /nfs/dbraw/zinc/08/15/08/588081508.db2.gz WMFPQOMQGHLQHE-UHFFFAOYSA-N 2 0 242.363 1.435 20 0 BDADRP [NH3+]CCCCCC[NH2+]C1CCSCC1 ZINC000843127391 588082352 /nfs/dbraw/zinc/08/23/52/588082352.db2.gz OWAKLLBSCNCQQE-UHFFFAOYSA-N 2 0 216.394 1.991 20 0 BDADRP C[C@H]1OCC[C@@H]1[NH2+]CCCCCC[NH3+] ZINC000843127877 588085276 /nfs/dbraw/zinc/08/52/76/588085276.db2.gz RPSHPBIXAFQRTR-MNOVXSKESA-N 2 0 200.326 1.273 20 0 BDADRP C[C@H]([NH2+]CCCCCC[NH3+])c1ccnn1C ZINC000843342423 588100693 /nfs/dbraw/zinc/10/06/93/588100693.db2.gz QMLVVLABFZUZJZ-NSHDSACASA-N 2 0 224.352 1.590 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCCCCC[NH3+])CCO1 ZINC000843342211 588100964 /nfs/dbraw/zinc/10/09/64/588100964.db2.gz ONFDIIAVHMSOOW-NWDGAFQWSA-N 2 0 214.353 1.663 20 0 BDADRP [NH3+]CCCCCCCN1CCC[C@H]([NH3+])C1 ZINC000843345360 588102192 /nfs/dbraw/zinc/10/21/92/588102192.db2.gz CLLATUSVTPGHTH-LBPRGKRZSA-N 2 0 213.369 1.319 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](CCCCCCC[NH3+])C1 ZINC000843349267 588102550 /nfs/dbraw/zinc/10/25/50/588102550.db2.gz QBRXOKBRJRSHTL-ZDUSSCGKSA-N 3 0 227.396 1.437 20 0 BDADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC[C@@H]1CC[NH2+]C1 ZINC000843360232 588104219 /nfs/dbraw/zinc/10/42/19/588104219.db2.gz IEYDTBFRQWNBGT-FUDCBSFHSA-N 3 0 237.391 1.330 20 0 BDADRP FCC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000843385493 588105831 /nfs/dbraw/zinc/10/58/31/588105831.db2.gz MRYVQVDWJZENFC-NSHDSACASA-N 2 0 200.301 1.277 20 0 BDADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCCCCCC[NH3+])C1 ZINC000843512342 588117531 /nfs/dbraw/zinc/11/75/31/588117531.db2.gz ZFSYNXIZHRMKGS-NEPJUHHUSA-N 2 0 241.379 1.010 20 0 BDADRP [NH3+]CC1(CC[NH2+]Cc2cccnc2Cl)CC1 ZINC000844901669 588218829 /nfs/dbraw/zinc/21/88/29/588218829.db2.gz KBWUMGWRCQAZEG-UHFFFAOYSA-N 2 0 239.750 1.954 20 0 BDADRP C[C@H]1C[NH+](CCCCCC[NH3+])C[C@H](C)N1 ZINC000846217359 588260448 /nfs/dbraw/zinc/26/04/48/588260448.db2.gz FMDKIQIFCNRABE-RYUDHWBXSA-N 2 0 213.369 1.188 20 0 BDADRP C[NH2+]C[C@](C)(O)C[NH+]1CCC(CC(C)C)CC1 ZINC000846219059 588260675 /nfs/dbraw/zinc/26/06/75/588260675.db2.gz DZUSGLCBRLLQKK-AWEZNQCLSA-N 2 0 242.407 1.715 20 0 BDADRP CCN1CCC[N@H+](CCCCCC[NH3+])CC1=O ZINC000846220095 588260762 /nfs/dbraw/zinc/26/07/62/588260762.db2.gz BKOFNHUQPSHHCB-UHFFFAOYSA-N 2 0 241.379 1.060 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000846220345 588261024 /nfs/dbraw/zinc/26/10/24/588261024.db2.gz GOCVQCWPAMRASI-CQSZACIVSA-N 3 0 239.407 1.581 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCCCCC[NH3+] ZINC000846220587 588261162 /nfs/dbraw/zinc/26/11/62/588261162.db2.gz LWLMJFHOOJKZDM-LBPRGKRZSA-N 3 0 227.396 1.483 20 0 BDADRP C[C@H]1NCC[N@H+](CCCCCC[NH3+])[C@@H]1C ZINC000846220454 588261303 /nfs/dbraw/zinc/26/13/03/588261303.db2.gz PYIVQZVEUCTEKP-VXGBXAGGSA-N 2 0 213.369 1.188 20 0 BDADRP CCN1C[C@H](C)[N@H+](CCCCCC[NH3+])C[C@H]1C ZINC000846221265 588261470 /nfs/dbraw/zinc/26/14/70/588261470.db2.gz VWRWDUPLYANRQS-KGLIPLIRSA-N 2 0 241.423 1.920 20 0 BDADRP C[C@H]1CC[N@H+](CCCCCC[NH3+])C[C@H]1C[NH3+] ZINC000846223065 588261643 /nfs/dbraw/zinc/26/16/43/588261643.db2.gz GMGQTPGXVTVPIE-QWHCGFSZSA-N 3 0 227.396 1.422 20 0 BDADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCF)C1 ZINC000846227760 588261991 /nfs/dbraw/zinc/26/19/91/588261991.db2.gz HDUNOFSXQZXOKI-IJLUTSLNSA-N 2 0 230.327 1.317 20 0 BDADRP C[N@@H+]1CCN(CC[NH+]2CCCC2)CC1(C)C ZINC000846890487 588295425 /nfs/dbraw/zinc/29/54/25/588295425.db2.gz IRFFBIILWBDBRW-UHFFFAOYSA-N 2 0 225.380 1.108 20 0 BDADRP C[C@@H](C[C@H]1CCOC1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848558171 588396861 /nfs/dbraw/zinc/39/68/61/588396861.db2.gz NRQBEKIBVIRBQC-RFQIPJPRSA-N 2 0 240.391 1.731 20 0 BDADRP Cc1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cn1 ZINC000848563869 588397604 /nfs/dbraw/zinc/39/76/04/588397604.db2.gz YCEFCHMQVTUJIW-OKILXGFUSA-N 2 0 233.359 1.820 20 0 BDADRP C[NH2+][C@@H](C)c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000848633031 588403223 /nfs/dbraw/zinc/40/32/23/588403223.db2.gz ZLCDFPRMEVQHKZ-QMMMGPOBSA-N 2 0 243.270 1.665 20 0 BDADRP Cc1cccc([C@H](O)C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000848720556 588408567 /nfs/dbraw/zinc/40/85/67/588408567.db2.gz YRDHRYNJFLANJB-SOUVJXGZSA-N 2 0 248.370 1.888 20 0 BDADRP CCNC(=[NH2+])NCCC[NH+]1CCCCCC1 ZINC000848981551 588422448 /nfs/dbraw/zinc/42/24/48/588422448.db2.gz SEZDPUHNUHLZMP-UHFFFAOYSA-N 2 0 226.368 1.386 20 0 BDADRP CN(C(=[NH2+])NCC1([NH+](C)C)CCCC1)C1CC1 ZINC000848981216 588422466 /nfs/dbraw/zinc/42/24/66/588422466.db2.gz DTMBLTGEZNZDGH-UHFFFAOYSA-N 2 0 238.379 1.479 20 0 BDADRP CC[C@@H](C)NC(=[NH2+])NCCC[NH+](CC)CC ZINC000848980785 588423630 /nfs/dbraw/zinc/42/36/30/588423630.db2.gz JZTFASCABLABFO-LLVKDONJSA-N 2 0 228.384 1.631 20 0 BDADRP CCC(CC)[C@@H](CNC(=[NH2+])N1CCC1)[NH+](C)C ZINC000848984232 588424904 /nfs/dbraw/zinc/42/49/04/588424904.db2.gz BNBPJTHIDBZBEM-GFCCVEGCSA-N 2 0 240.395 1.583 20 0 BDADRP CC[C@@H](C)NC(=[NH2+])NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000848987499 588426027 /nfs/dbraw/zinc/42/60/27/588426027.db2.gz BHJNRVFAQDPHFV-VXGBXAGGSA-N 2 0 240.395 1.631 20 0 BDADRP CC[C@@H](C)NC(=[NH2+])NCCCC[NH+](C)C ZINC000848989969 588426619 /nfs/dbraw/zinc/42/66/19/588426619.db2.gz OWKRBFYLIYDHLG-SNVBAGLBSA-N 2 0 214.357 1.241 20 0 BDADRP CCN(CC)C(=[NH2+])NCCCC[NH+](C)C ZINC000848989906 588426623 /nfs/dbraw/zinc/42/66/23/588426623.db2.gz KGGRSRXTPRHSHB-UHFFFAOYSA-N 2 0 214.357 1.194 20 0 BDADRP CCNC(=[NH2+])NCCCC[N@@H+]1CCCC[C@H]1C ZINC000848989300 588426635 /nfs/dbraw/zinc/42/66/35/588426635.db2.gz MAQUHIMJXPGEKW-GFCCVEGCSA-N 2 0 240.395 1.775 20 0 BDADRP CN(C(=[NH2+])NCCC[NH2+]C(C)(C)C)C1CC1 ZINC000848994052 588428216 /nfs/dbraw/zinc/42/82/16/588428216.db2.gz KZPSKXULZSTIEG-UHFFFAOYSA-N 2 0 226.368 1.383 20 0 BDADRP CC[C@H](C)NC(=[NH2+])NCCC[NH2+]C(C)(C)C ZINC000848994133 588428409 /nfs/dbraw/zinc/42/84/09/588428409.db2.gz VXISITBDAABUGG-JTQLQIEISA-N 2 0 228.384 1.677 20 0 BDADRP C[C@H](CNC(=[NH2+])N1CCC1)[NH+]1CCC(C)CC1 ZINC000848998698 588430146 /nfs/dbraw/zinc/43/01/46/588430146.db2.gz LDWVVNPSDVWCPI-GFCCVEGCSA-N 2 0 238.379 1.337 20 0 BDADRP CCNC(=[NH2+])NCC[C@H](C)[NH+]1CCCCC1 ZINC000849018410 588438249 /nfs/dbraw/zinc/43/82/49/588438249.db2.gz RWYVQYKAEGQOBG-NSHDSACASA-N 2 0 226.368 1.385 20 0 BDADRP CCN(CC)C(=[NH2+])NC[C@@H](C)C[NH+](C)C ZINC000849030264 588442387 /nfs/dbraw/zinc/44/23/87/588442387.db2.gz HCJUSXIECNWQKQ-SNVBAGLBSA-N 2 0 214.357 1.050 20 0 BDADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC[C@H](C)F ZINC000849033601 588443964 /nfs/dbraw/zinc/44/39/64/588443964.db2.gz RHCFKFGDTJMLKO-QWRGUYRKSA-N 2 0 244.358 1.333 20 0 BDADRP CCCNC(=[NH2+])NCC[C@@H]1CCC[N@H+](C)C1 ZINC000849041527 588447886 /nfs/dbraw/zinc/44/78/86/588447886.db2.gz RPQPUPDBTZEYDJ-NSHDSACASA-N 2 0 226.368 1.242 20 0 BDADRP C[N@@H+]1CCC[C@H](CCNC(=[NH2+])NC2CCC2)C1 ZINC000849041174 588447935 /nfs/dbraw/zinc/44/79/35/588447935.db2.gz MJDMUPXCPMELFE-LLVKDONJSA-N 2 0 238.379 1.385 20 0 BDADRP C(CNC1=[NH+]CCCCN1)C[NH+]1CCCCC1 ZINC000849214913 588461804 /nfs/dbraw/zinc/46/18/04/588461804.db2.gz BSUUAIZTVDZKEO-UHFFFAOYSA-N 2 0 238.379 1.191 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CC[C@@H](N2CCCC2)C1 ZINC000110370935 588658829 /nfs/dbraw/zinc/65/88/29/588658829.db2.gz RQIGUXPABYYTNR-CQSZACIVSA-N 2 0 239.407 1.676 20 0 BDADRP CC[NH2+]CC1CC[NH+](CCOC(F)F)CC1 ZINC000852740614 588698302 /nfs/dbraw/zinc/69/83/02/588698302.db2.gz GCMXZOZQJGOKHG-UHFFFAOYSA-N 2 0 236.306 1.547 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCOC(F)F)C[C@@H]21 ZINC000852746631 588698939 /nfs/dbraw/zinc/69/89/39/588698939.db2.gz MUWRXALALMMDTH-LPEHRKFASA-N 2 0 234.290 1.285 20 0 BDADRP C[C@@H]1CC[N@H+](CCCCCCC[NH3+])[C@H](CN)C1 ZINC000852758994 588700633 /nfs/dbraw/zinc/70/06/33/588700633.db2.gz IRNUSQJWSJRBIC-KGLIPLIRSA-N 2 0 241.423 1.955 20 0 BDADRP N[C@@H]1C[N@H+](CCCCCCC[NH3+])CC[C@H]1F ZINC000852760728 588700972 /nfs/dbraw/zinc/70/09/72/588700972.db2.gz MQWFEUDDMULEMM-VXGBXAGGSA-N 2 0 231.359 1.267 20 0 BDADRP CC1(C)CC[NH2+][C@@H]1C(=O)NCCCCCC[NH3+] ZINC000852894502 588711932 /nfs/dbraw/zinc/71/19/32/588711932.db2.gz LACZPVMQHDEXDA-LLVKDONJSA-N 2 0 241.379 1.010 20 0 BDADRP CCC1(C[NH2+][C@H]2CC[NH2+]C23CCC3)COC1 ZINC000863483763 589293050 /nfs/dbraw/zinc/29/30/50/589293050.db2.gz ZZGDFMYTGNKPET-NSHDSACASA-N 2 0 224.348 1.287 20 0 BDADRP C[C@H](CC(C)(C)C)[NH2+]CCOCCC[NH3+] ZINC000863546300 589298125 /nfs/dbraw/zinc/29/81/25/589298125.db2.gz LGWJUTBNPYDWLU-LLVKDONJSA-N 2 0 216.369 1.766 20 0 BDADRP CC(C)[NH+](CCNC(=[NH2+])N[C@@H]1C[C@@H]1C)C(C)C ZINC000864453095 589365703 /nfs/dbraw/zinc/36/57/03/589365703.db2.gz XBVLJCKPXHBTPB-NWDGAFQWSA-N 2 0 240.395 1.628 20 0 BDADRP CC(C)[N@H+](C)CCCNC(=[NH2+])N[C@H]1C[C@H]1C ZINC000864453514 589366120 /nfs/dbraw/zinc/36/61/20/589366120.db2.gz XLPFVLOKWSOCHK-MNOVXSKESA-N 2 0 226.368 1.239 20 0 BDADRP CC(C)CCC[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000865659446 589454828 /nfs/dbraw/zinc/45/48/28/589454828.db2.gz MRTUJERQXIEWSP-ZDUSSCGKSA-N 2 0 242.407 1.857 20 0 BDADRP Cc1cc(N2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc[nH+]1 ZINC000866206666 589480246 /nfs/dbraw/zinc/48/02/46/589480246.db2.gz FHIMKCTUQNIHBA-OCCSQVGLSA-N 2 0 231.343 1.920 20 0 BDADRP C[C@H]1OCC[C@@H]1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000866660017 589507941 /nfs/dbraw/zinc/50/79/41/589507941.db2.gz AOTRWORYKVBFQC-OKZRHMCRSA-N 2 0 226.364 1.613 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000866660021 589508090 /nfs/dbraw/zinc/50/80/90/589508090.db2.gz AOTRWORYKVBFQC-ZSVAQUKISA-N 2 0 226.364 1.613 20 0 BDADRP CC1(C)CCNCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000866696931 589512775 /nfs/dbraw/zinc/51/27/75/589512775.db2.gz CUPMEGVMJLYLAY-GFCCVEGCSA-N 2 0 225.380 1.060 20 0 BDADRP CC1(C)CCNCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000866699717 589512949 /nfs/dbraw/zinc/51/29/49/589512949.db2.gz TUUGHRRBRFKVNO-UHFFFAOYSA-N 2 0 225.380 1.060 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000866703734 589513419 /nfs/dbraw/zinc/51/34/19/589513419.db2.gz LFCVMIWKKPDVMS-JHJVBQTASA-N 2 0 240.416 1.671 20 0 BDADRP C[NH2+]CCC[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000866703750 589513564 /nfs/dbraw/zinc/51/35/64/589513564.db2.gz LQEWNJLAVGMTNW-MNOVXSKESA-N 2 0 214.378 1.281 20 0 BDADRP C[N@@H+]1CC[C@H]2CN(CC3CC[NH2+]CC3)CC[C@@H]21 ZINC000866704563 589513645 /nfs/dbraw/zinc/51/36/45/589513645.db2.gz WIOFOLYBUMKIMO-KBPBESRZSA-N 2 0 237.391 1.012 20 0 BDADRP CCOCC[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866703627 589513678 /nfs/dbraw/zinc/51/36/78/589513678.db2.gz MWWAEGUNYCVKCP-CYBMUJFWSA-N 2 0 228.380 1.720 20 0 BDADRP CC1(C)C[C@@H](O)C[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000866703973 589513863 /nfs/dbraw/zinc/51/38/63/589513863.db2.gz QTFBXOCBCRLYOE-NWDGAFQWSA-N 2 0 226.364 1.079 20 0 BDADRP C1=CC[C@@H]2C[N@@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C[C@@H]2C1 ZINC000866701911 589513975 /nfs/dbraw/zinc/51/39/75/589513975.db2.gz RGVLHKWWNNIOOJ-HZSPNIEDSA-N 2 0 248.370 1.405 20 0 BDADRP CC1(C)C[C@H](O)C[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000866703405 589513983 /nfs/dbraw/zinc/51/39/83/589513983.db2.gz MAJZKFMVBNMIJJ-ZDUSSCGKSA-N 2 0 240.391 1.469 20 0 BDADRP C(C[N@@H+]1CC[C@@H]2CSC[C@H]2C1)[C@H]1CC[NH2+]C1 ZINC000866702849 589513988 /nfs/dbraw/zinc/51/39/88/589513988.db2.gz CCBWDFKHMXSPCN-JHJVBQTASA-N 2 0 240.416 1.671 20 0 BDADRP [NH3+]CCCCCCN1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000866717328 589514239 /nfs/dbraw/zinc/51/42/39/589514239.db2.gz BSALKOCBYVYZDK-KBPBESRZSA-N 2 0 239.407 1.579 20 0 BDADRP CC1(C)C[C@H](O)C[N@H+](CCCCCCC[NH3+])C1 ZINC000866705014 589514651 /nfs/dbraw/zinc/51/46/51/589514651.db2.gz ZGYOIVNMEXWRAE-ZDUSSCGKSA-N 2 0 242.407 1.988 20 0 BDADRP COCCC[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866706714 589514764 /nfs/dbraw/zinc/51/47/64/589514764.db2.gz JYFZOLWOCWKFCA-ZDUSSCGKSA-N 2 0 228.380 1.720 20 0 BDADRP C(CN1CCC[C@H]2[NH2+]CC[C@H]21)C1CC[NH2+]CC1 ZINC000866724130 589515733 /nfs/dbraw/zinc/51/57/33/589515733.db2.gz INEYSXRDZHVCIA-ZIAGYGMSSA-N 2 0 237.391 1.202 20 0 BDADRP Cc1noc(C)c1[C@@H](C)NCCC[NH+](C)C ZINC000122633588 589610991 /nfs/dbraw/zinc/61/09/91/589610991.db2.gz KSMHZWFNNKDENL-SECBINFHSA-N 2 0 225.336 1.894 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870938458 589699276 /nfs/dbraw/zinc/69/92/76/589699276.db2.gz PJVIRQZRPVWTBU-TUAOUCFPSA-N 2 0 241.379 1.138 20 0 BDADRP C[C@@H](CCCC[NH3+])NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870947720 589700624 /nfs/dbraw/zinc/70/06/24/589700624.db2.gz SAVRTUUVOCXZDU-SDDRHHMPSA-N 2 0 241.379 1.138 20 0 BDADRP O[C@H]1C[C@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000872125976 589875891 /nfs/dbraw/zinc/87/58/91/589875891.db2.gz FKZFMRBENDJJOJ-MQMHXKEQSA-N 2 0 238.375 1.221 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000872141872 589882199 /nfs/dbraw/zinc/88/21/99/589882199.db2.gz XJHWUSKGPVEATO-STQMWFEESA-N 2 0 238.375 1.616 20 0 BDADRP CC(=O)[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000872146157 589885336 /nfs/dbraw/zinc/88/53/36/589885336.db2.gz HAEYLOKDHHUZQI-CYBMUJFWSA-N 2 0 224.348 1.287 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CC2CCOCC2)C1 ZINC000872251227 589900567 /nfs/dbraw/zinc/90/05/67/589900567.db2.gz IDZJLMAEDMOHNN-ZDUSSCGKSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2CC[NH2+]CC(C)(C)C2)CC[NH2+]1 ZINC000872253849 589901658 /nfs/dbraw/zinc/90/16/58/589901658.db2.gz KVJDYYAVXXMNLL-UPJWGTAASA-N 2 0 239.407 1.495 20 0 BDADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2CC12CC(C1)C[NH2+]2 ZINC000873201926 589992672 /nfs/dbraw/zinc/99/26/72/589992672.db2.gz PXUYXALQPDFWOY-LJZITESISA-N 2 0 235.375 1.083 20 0 BDADRP C[NH2+]CCN(C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873202101 589993174 /nfs/dbraw/zinc/99/31/74/589993174.db2.gz SQDYAIHVZFLJOA-UHFFFAOYSA-N 2 0 239.388 1.045 20 0 BDADRP C[C@H](C[NH3+])N(C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873200474 589993311 /nfs/dbraw/zinc/99/33/11/589993311.db2.gz BBXNGWWHJQLDCH-SECBINFHSA-N 2 0 239.388 1.173 20 0 BDADRP C[NH2+]C[C@H](C)NCc1cc2c(s1)CC[NH2+]C2 ZINC000873211783 589996531 /nfs/dbraw/zinc/99/65/31/589996531.db2.gz BBBCCTPVDQDSNX-VIFPVBQESA-N 2 0 239.388 1.091 20 0 BDADRP CC(C)([NH3+])CNc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000873215008 589998349 /nfs/dbraw/zinc/99/83/49/589998349.db2.gz OVZIWDZZIAWUPW-NWDGAFQWSA-N 2 0 219.332 1.650 20 0 BDADRP CC(C)[C@@H](C[NH3+])C[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873221036 589998542 /nfs/dbraw/zinc/99/85/42/589998542.db2.gz XZBJKNUGBYAABC-YPMHNXCESA-N 3 0 227.396 1.195 20 0 BDADRP Cc1cc(C[NH2+][C@@H](C)C2CC[NH2+]CC2)nn1C ZINC000873219817 589998680 /nfs/dbraw/zinc/99/86/80/589998680.db2.gz GHACCAYVXJQHEC-NSHDSACASA-N 2 0 236.363 1.206 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CC[NH2+][C@H](C)C1)C1CC[NH2+]CC1 ZINC000873219887 589998982 /nfs/dbraw/zinc/99/89/82/589998982.db2.gz GWKWTCJMOSUYBN-UPJWGTAASA-N 3 0 239.407 1.352 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1C[C@H](O)CC(C)(C)C1 ZINC000873221890 589999412 /nfs/dbraw/zinc/99/94/12/589999412.db2.gz SGFOUOFLESPWNQ-VXGBXAGGSA-N 2 0 228.380 1.453 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1C[C@@H](O)CC(C)(C)C1 ZINC000873221889 589999476 /nfs/dbraw/zinc/99/94/76/589999476.db2.gz SGFOUOFLESPWNQ-RYUDHWBXSA-N 2 0 228.380 1.453 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2C[C@H](O)CC(C)(C)C2)CC[NH2+]1 ZINC000873221795 589999488 /nfs/dbraw/zinc/99/94/88/589999488.db2.gz QHHWARBPAOLLGI-FRRDWIJNSA-N 2 0 240.391 1.467 20 0 BDADRP COCCC1([NH2+]C[C@@H](C)COC)CC[NH2+]CC1 ZINC000873225726 590001288 /nfs/dbraw/zinc/00/12/88/590001288.db2.gz YNJIDZMARWQSKE-GFCCVEGCSA-N 2 0 244.379 1.017 20 0 BDADRP C[N@H+](CCCCCC[NH3+])C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000873231464 590002729 /nfs/dbraw/zinc/00/27/29/590002729.db2.gz KCCAVNNGJJGOIW-OLZOCXBDSA-N 3 0 225.380 1.047 20 0 BDADRP C([NH2+][C@]12CCC[C@@H]1[NH2+]CC2)[C@@H]1CCSC1 ZINC000873232076 590002845 /nfs/dbraw/zinc/00/28/45/590002845.db2.gz UWTWNCWPXPSFRW-SRVKXCTJSA-N 2 0 226.389 1.614 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC[C@@H]1CCSC1 ZINC000873234679 590004383 /nfs/dbraw/zinc/00/43/83/590004383.db2.gz FNERCZYRHPOVMO-HBNTYKKESA-N 2 0 216.394 1.845 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCC(C)(C)CN1 ZINC000873237890 590004487 /nfs/dbraw/zinc/00/44/87/590004487.db2.gz VGFLRORFNOOAOK-OLZOCXBDSA-N 2 0 241.423 1.872 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CCSC1 ZINC000873236151 590004758 /nfs/dbraw/zinc/00/47/58/590004758.db2.gz VEWNURQAPQNPHY-AXFHLTTASA-N 2 0 214.378 1.599 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CCC(C)(C)CN1 ZINC000873237891 590004826 /nfs/dbraw/zinc/00/48/26/590004826.db2.gz VGFLRORFNOOAOK-QWHCGFSZSA-N 2 0 241.423 1.872 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1F ZINC000873239619 590005867 /nfs/dbraw/zinc/00/58/67/590005867.db2.gz ZEQKNGMYUISLOH-NOOOWODRSA-N 2 0 214.328 1.984 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC12CCOCC2 ZINC000873248926 590007251 /nfs/dbraw/zinc/00/72/51/590007251.db2.gz IZLONJLHCXCBRL-UPJWGTAASA-N 2 0 238.375 1.663 20 0 BDADRP Cc1cc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)nn1C ZINC000873248898 590007367 /nfs/dbraw/zinc/00/73/67/590007367.db2.gz GOXRVEAKIPZJNC-MXWKQRLJSA-N 2 0 222.336 1.116 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)c2nccn21 ZINC000873249284 590007480 /nfs/dbraw/zinc/00/74/80/590007480.db2.gz KDZFXTJOGXDJIV-ZNSHCXBVSA-N 2 0 220.320 1.216 20 0 BDADRP COCC[C@H]1CCC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873248692 590007722 /nfs/dbraw/zinc/00/77/22/590007722.db2.gz DREMXHSHLVRUJZ-FVCCEPFGSA-N 2 0 226.364 1.519 20 0 BDADRP CCC1(CC)[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1OC ZINC000873251660 590007987 /nfs/dbraw/zinc/00/79/87/590007987.db2.gz MRCBYFZQDWPUPB-RNJOBUHISA-N 2 0 240.391 1.907 20 0 BDADRP C[NH+](C)C1(C)CCC([NH2+][C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000873250580 590008221 /nfs/dbraw/zinc/00/82/21/590008221.db2.gz RSKUJABWEGXMSN-QPPOZKHWSA-N 3 0 239.407 1.719 20 0 BDADRP Cc1nccnc1[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873251181 590008354 /nfs/dbraw/zinc/00/83/54/590008354.db2.gz UTVQYQASFSVLTF-GARJFASQSA-N 2 0 220.320 1.173 20 0 BDADRP COC[C@H](CC(C)C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873254162 590009681 /nfs/dbraw/zinc/00/96/81/590009681.db2.gz LZOMZKZJDMLFER-TUAOUCFPSA-N 2 0 214.353 1.374 20 0 BDADRP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)cn1 ZINC000873254761 590010010 /nfs/dbraw/zinc/01/00/10/590010010.db2.gz BVFYUZWIPPBPEC-RAIGVLPGSA-N 2 0 249.358 1.348 20 0 BDADRP COC[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)C1CCCC1 ZINC000873254916 590010487 /nfs/dbraw/zinc/01/04/87/590010487.db2.gz BCBGVRRPWAWDHB-DRZSPHRISA-N 2 0 226.364 1.519 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)[C@@H]1CCOC1 ZINC000873256742 590011374 /nfs/dbraw/zinc/01/13/74/590011374.db2.gz PWELUCBHHHCSFJ-KKOKHZNYSA-N 2 0 212.337 1.128 20 0 BDADRP COc1cccc(C[C@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)n1 ZINC000873256897 590011944 /nfs/dbraw/zinc/01/19/44/590011944.db2.gz PTBBHKKYOVXRNE-SRVKXCTJSA-N 2 0 249.358 1.348 20 0 BDADRP Cc1cc([C@@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)n(C)n1 ZINC000873259044 590013152 /nfs/dbraw/zinc/01/31/52/590013152.db2.gz YAUMSEGTKXODIB-GMTAPVOTSA-N 2 0 222.336 1.116 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccn(C)n1 ZINC000873260547 590013465 /nfs/dbraw/zinc/01/34/65/590013465.db2.gz CPZVKNXNISGNJE-RVMXOQNASA-N 2 0 248.374 1.601 20 0 BDADRP CC[C@@H](COC)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873260088 590013737 /nfs/dbraw/zinc/01/37/37/590013737.db2.gz RZLUXNYLOPWDND-RVMXOQNASA-N 2 0 226.364 1.532 20 0 BDADRP c1cn2c(n1)[C@H]([NH2+]C[C@H]1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000873262257 590014376 /nfs/dbraw/zinc/01/43/76/590014376.db2.gz WOEWXRWYPGLNQS-YVECIDJPSA-N 2 0 246.358 1.448 20 0 BDADRP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1nccn1C ZINC000873267596 590015263 /nfs/dbraw/zinc/01/52/63/590015263.db2.gz HCCJTLASTHQANU-GHMZBOCLSA-N 2 0 236.363 1.459 20 0 BDADRP C[C@@H]([NH2+][C@H](C)[C@@H]1CCCOC1)C1CC[NH2+]CC1 ZINC000873270132 590016330 /nfs/dbraw/zinc/01/63/30/590016330.db2.gz XPMNYNWUORCFEC-YRGRVCCFSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873273236 590016810 /nfs/dbraw/zinc/01/68/10/590016810.db2.gz ZKJLJVBTGUFEMZ-RYUDHWBXSA-N 3 0 227.396 1.482 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCC[C@@H]1CCOC1=O ZINC000873282149 590018716 /nfs/dbraw/zinc/01/87/16/590018716.db2.gz FSPJBTVXVGONJQ-VXGBXAGGSA-N 2 0 242.363 1.437 20 0 BDADRP C[C@@H]([NH2+]CCC[C@H]1CCOC1=O)[C@H]1CCC[NH2+]1 ZINC000873283629 590019412 /nfs/dbraw/zinc/01/94/12/590019412.db2.gz YLWUOYGWBUNJFI-GRYCIOLGSA-N 2 0 240.347 1.060 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000873297092 590025271 /nfs/dbraw/zinc/02/52/71/590025271.db2.gz RBZYTERIFSPTSB-HUBLWGQQSA-N 2 0 247.386 1.416 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCC2OCCO2)C1 ZINC000124562683 590057814 /nfs/dbraw/zinc/05/78/14/590057814.db2.gz UJOLPGIESJWRFN-LBPRGKRZSA-N 2 0 242.363 1.023 20 0 BDADRP Cc1cnccc1NC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876752858 590237721 /nfs/dbraw/zinc/23/77/21/590237721.db2.gz BEDJOLSBUZSHGQ-MWLCHTKSSA-N 2 0 233.315 1.124 20 0 BDADRP Cc1cnccc1NC(=O)C=C[C@@H]1CCC[NH2+]C1 ZINC000876753768 590237855 /nfs/dbraw/zinc/23/78/55/590237855.db2.gz OCAPLBRRSBYQDS-RXNFCKPNSA-N 2 0 245.326 1.306 20 0 BDADRP C[C@@H]([NH3+])CN(C)C(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000877104063 590284033 /nfs/dbraw/zinc/28/40/33/590284033.db2.gz AUNVUGNVWNZWTP-ZJUUUORDSA-N 2 0 235.331 1.126 20 0 BDADRP C[C@@H]([NH3+])CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000877104032 590284351 /nfs/dbraw/zinc/28/43/51/590284351.db2.gz ZYXJBMLHHZASJH-LLVKDONJSA-N 2 0 249.358 1.167 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCN2CCC[C@@H]2C)CS1 ZINC000877154354 590293216 /nfs/dbraw/zinc/29/32/16/590293216.db2.gz OSFWNWKNYAGOQA-QJPTWQEYSA-N 2 0 228.405 1.954 20 0 BDADRP CC[NH2+]CC(=O)N1CC[C@H](C[NH3+])c2ccccc21 ZINC000877427913 590325588 /nfs/dbraw/zinc/32/55/88/590325588.db2.gz CQIUFXTYCQIVGY-LLVKDONJSA-N 2 0 247.342 1.075 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]C2CSC2)CC1(C)C ZINC000877634389 590380314 /nfs/dbraw/zinc/38/03/14/590380314.db2.gz NZUHODVGUFEZCA-VIFPVBQESA-N 2 0 214.378 1.564 20 0 BDADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cc[nH]n1)CC2 ZINC000877684681 590392104 /nfs/dbraw/zinc/39/21/04/590392104.db2.gz SWCNDMXXBQYHTO-UHFFFAOYSA-N 2 0 248.374 1.718 20 0 BDADRP CCC[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1)OC ZINC000877742892 590408193 /nfs/dbraw/zinc/40/81/93/590408193.db2.gz SCKPSIMGAVWZIX-BFHYXJOUSA-N 2 0 240.391 1.828 20 0 BDADRP CO[C@H](C)C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877741278 590408954 /nfs/dbraw/zinc/40/89/54/590408954.db2.gz MKAOZVTZYPZFLU-GRYCIOLGSA-N 2 0 212.337 1.047 20 0 BDADRP CO[C@H]1C[C@@H](C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)C1 ZINC000878125806 590501169 /nfs/dbraw/zinc/50/11/69/590501169.db2.gz RGZHYLVSHDZPDK-MCIONIFRSA-N 2 0 240.391 1.685 20 0 BDADRP CSC[C@@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000127341174 590624148 /nfs/dbraw/zinc/62/41/48/590624148.db2.gz WTCCKLXRAJHOCC-NXEZZACHSA-N 2 0 202.367 1.470 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CCCO3)CC[C@@H]21 ZINC000879569164 590806248 /nfs/dbraw/zinc/80/62/48/590806248.db2.gz KQUZEJCLLXDANN-UPJWGTAASA-N 2 0 224.348 1.191 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CCCO3)CC[C@H]21 ZINC000879569163 590807321 /nfs/dbraw/zinc/80/73/21/590807321.db2.gz KQUZEJCLLXDANN-JHJVBQTASA-N 2 0 224.348 1.191 20 0 BDADRP C[N@@H+]1CC[C@H]2C[NH+](C[Si](C)(C)C)CC[C@@H]21 ZINC000879573796 590814324 /nfs/dbraw/zinc/81/43/24/590814324.db2.gz RQVHPTOFXJPRHP-RYUDHWBXSA-N 2 0 226.440 1.890 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@H]1CCCSC1 ZINC000128243765 590949816 /nfs/dbraw/zinc/94/98/16/590949816.db2.gz NNSQKVOGAOUVLN-LBPRGKRZSA-N 2 0 246.420 1.440 20 0 BDADRP c1ccc2c(c1)C[C@H](C[NH2+][C@@H]1CCC[NH2+]CC1)O2 ZINC000129157379 591260360 /nfs/dbraw/zinc/26/03/60/591260360.db2.gz QJCTYBRECIJYAD-ZIAGYGMSSA-N 2 0 246.354 1.722 20 0 BDADRP Cc1ncnc(NCC[N@@H+](C)C(C)C)c1C ZINC000881903122 591277526 /nfs/dbraw/zinc/27/75/26/591277526.db2.gz DECVZHGILHJTBM-UHFFFAOYSA-N 2 0 222.336 1.846 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2C[C@H](OC)C2)[C@@H](C)C1 ZINC000883269668 591603740 /nfs/dbraw/zinc/60/37/40/591603740.db2.gz RSMXPCCUVOPGBK-XUXIUFHCSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@H]1OCC[C@@H]1C[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000883459927 591673882 /nfs/dbraw/zinc/67/38/82/591673882.db2.gz KZOHZVDCTFJUKY-CHWSQXEVSA-N 2 0 238.375 1.629 20 0 BDADRP CN(C)C1(C[NH2+]C2CCC([NH3+])CC2)CCCC1 ZINC000131991776 591682744 /nfs/dbraw/zinc/68/27/44/591682744.db2.gz BLURINUDYVJFRO-UHFFFAOYSA-N 2 0 239.407 1.720 20 0 BDADRP C(NC1CC[NH+](C2CC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000132163713 591691051 /nfs/dbraw/zinc/69/10/51/591691051.db2.gz XVBBPQXPFIYZSE-LBPRGKRZSA-N 2 0 237.391 1.202 20 0 BDADRP C[NH2+][C@@H]1CCCN(C(=O)CCCCCC[NH3+])C1 ZINC000132846390 591743341 /nfs/dbraw/zinc/74/33/41/591743341.db2.gz HEBHPVJJZZSZJW-GFCCVEGCSA-N 2 0 241.379 1.106 20 0 BDADRP Cc1cc(NCCC[NH+]2CCCCC2)nc(N)[nH+]1 ZINC000883998429 591790429 /nfs/dbraw/zinc/79/04/29/591790429.db2.gz QKWFQYKPPIFIOS-UHFFFAOYSA-N 2 0 249.362 1.655 20 0 BDADRP CC1(C)C[NH2+]C[C@@H]1C(=O)Nc1cccc(C[NH3+])c1 ZINC000884006869 591793879 /nfs/dbraw/zinc/79/38/79/591793879.db2.gz GRAJEKJVFVIOGN-GFCCVEGCSA-N 2 0 247.342 1.329 20 0 BDADRP CC1(C)C[NH2+]C[C@H]1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000884253860 591885783 /nfs/dbraw/zinc/88/57/83/591885783.db2.gz WZMURJZVNVOOAL-LBPRGKRZSA-N 2 0 247.342 1.329 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC1(CO)CCCC1 ZINC000135062025 591980232 /nfs/dbraw/zinc/98/02/32/591980232.db2.gz WGOVSMHKIMPKID-QWHCGFSZSA-N 2 0 240.391 1.646 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCc3cccnc32)C1 ZINC000886632719 592283292 /nfs/dbraw/zinc/28/32/92/592283292.db2.gz CEXFVSIZHSZGGJ-KWCYVHTRSA-N 2 0 245.370 1.999 20 0 BDADRP COC(=O)CC[N@H+](C[C@@H]1CCC[NH2+]C1)C(C)C ZINC000220373999 592307945 /nfs/dbraw/zinc/30/79/45/592307945.db2.gz AUGNRNKPIVKBJK-GFCCVEGCSA-N 2 0 242.363 1.260 20 0 BDADRP CCC1([NH+]2CCC2)CC[NH+](C[C@@H](C)CO)CC1 ZINC000886715905 592310353 /nfs/dbraw/zinc/31/03/53/592310353.db2.gz IMFVWSZANQBRLB-CYBMUJFWSA-N 2 0 240.391 1.565 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@H]1C[C@@]12CCOC2 ZINC000886841111 592359583 /nfs/dbraw/zinc/35/95/83/592359583.db2.gz CGLUSNZSZLYWNO-HNCHTBHHSA-N 2 0 224.348 1.128 20 0 BDADRP CCN(CCCCCCC[NH3+])[C@H]1CC[NH2+]C1 ZINC000886848446 592365570 /nfs/dbraw/zinc/36/55/70/592365570.db2.gz CXZFNBMKAJPXIY-ZDUSSCGKSA-N 2 0 227.396 1.579 20 0 BDADRP CC(C)OCC[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886868081 592375253 /nfs/dbraw/zinc/37/52/53/592375253.db2.gz VHWQPADKYPMKOA-CQSZACIVSA-N 2 0 240.391 1.877 20 0 BDADRP c1cc(CN2CCCC[C@@]3(CC[NH2+]C3)C2)no1 ZINC000886869581 592375883 /nfs/dbraw/zinc/37/58/83/592375883.db2.gz CJTMYOBBUBIHSQ-ZDUSSCGKSA-N 2 0 235.331 1.640 20 0 BDADRP C(C1CC1)[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886874013 592376232 /nfs/dbraw/zinc/37/62/32/592376232.db2.gz DPCMPNUBKGKWHF-ZDUSSCGKSA-N 2 0 208.349 1.862 20 0 BDADRP CCOCCC[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886872007 592376853 /nfs/dbraw/zinc/37/68/53/592376853.db2.gz HCZVLEPOAGTLDZ-AWEZNQCLSA-N 2 0 240.391 1.879 20 0 BDADRP C(C1CC1)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886874012 592377772 /nfs/dbraw/zinc/37/77/72/592377772.db2.gz DPCMPNUBKGKWHF-CYBMUJFWSA-N 2 0 208.349 1.862 20 0 BDADRP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCCF ZINC000887132557 592449831 /nfs/dbraw/zinc/44/98/31/592449831.db2.gz IHQKSCWXPHBJCB-LBPRGKRZSA-N 2 0 237.322 1.952 20 0 BDADRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])NCC2CC2)C1 ZINC000887351388 592485876 /nfs/dbraw/zinc/48/58/76/592485876.db2.gz NXHGNGNJHWMQAQ-LBPRGKRZSA-N 2 0 238.379 1.242 20 0 BDADRP C[C@@H](CNC(=[NH2+])NCC(F)F)[NH+]1CCCCC1 ZINC000887351665 592486488 /nfs/dbraw/zinc/48/64/88/592486488.db2.gz WTOUSVVHYPOBBY-VIFPVBQESA-N 2 0 248.321 1.240 20 0 BDADRP CC[C@H](C)[N@H+](C)CCNC(=[NH2+])NCC1CC1 ZINC000887352848 592486518 /nfs/dbraw/zinc/48/65/18/592486518.db2.gz QJRVWTSVXMSSON-JTQLQIEISA-N 2 0 226.368 1.241 20 0 BDADRP C[N@@H+]1CCC[C@H](CCNC(=[NH2+])NCC(F)F)C1 ZINC000887361707 592490423 /nfs/dbraw/zinc/49/04/23/592490423.db2.gz HGYWEULPJFPQSU-SECBINFHSA-N 2 0 248.321 1.097 20 0 BDADRP CC(C)C[C@H](O)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000300231411 592505327 /nfs/dbraw/zinc/50/53/27/592505327.db2.gz HEOKLUSAHMNYPZ-AVGNSLFASA-N 2 0 228.380 1.501 20 0 BDADRP C(C[C@@H]1CCCCO1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000223719443 592539281 /nfs/dbraw/zinc/53/92/81/592539281.db2.gz OSJCQVVNPUECAK-OLZOCXBDSA-N 2 0 226.364 1.677 20 0 BDADRP C(C[C@@H]1CCCCO1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000223719528 592539327 /nfs/dbraw/zinc/53/93/27/592539327.db2.gz OSJCQVVNPUECAK-STQMWFEESA-N 2 0 226.364 1.677 20 0 BDADRP C(C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C[C@@H]1CCC[NH2+]1 ZINC000925704458 634384117 /nfs/dbraw/zinc/38/41/17/634384117.db2.gz GWXVPNWGZKJIND-UQGHGMQMSA-N 3 0 249.402 1.105 20 0 BDADRP CSCC[C@@H](C)[NH+]1CCC(C)([NH3+])CC1 ZINC001258209325 991128110 /nfs/dbraw/zinc/12/81/10/991128110.db2.gz VBBNUXNXXLNLJD-SNVBAGLBSA-N 2 0 216.394 1.941 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C12CCC2 ZINC000925706591 634391122 /nfs/dbraw/zinc/39/11/22/634391122.db2.gz MZYBUABYGGXULN-KSTCHIGDSA-N 3 0 249.402 1.234 20 0 BDADRP OC/C=C\C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925707079 634393265 /nfs/dbraw/zinc/39/32/65/634393265.db2.gz OMGIFKMUJHALBM-KBIGUFJUSA-N 2 0 238.375 1.293 20 0 BDADRP C1[C@@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)[C@@H]1C1CCC1 ZINC000925706891 634393945 /nfs/dbraw/zinc/39/39/45/634393945.db2.gz OPLKBSNUUAEQSS-UWGWRVQFSA-N 2 0 232.371 1.761 20 0 BDADRP CC[C@@H](O)C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925709806 634406990 /nfs/dbraw/zinc/40/69/90/634406990.db2.gz OQPLAMRGBRNYTO-GMTAPVOTSA-N 2 0 214.353 1.253 20 0 BDADRP CC[C@@H](O)C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925709809 634407529 /nfs/dbraw/zinc/40/75/29/634407529.db2.gz OQPLAMRGBRNYTO-HBNTYKKESA-N 2 0 214.353 1.253 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1NCc1ccc(C[NH3+])cc1 ZINC000925712904 634416289 /nfs/dbraw/zinc/41/62/89/634416289.db2.gz QDLTZCXDUFZWOD-SMDDNHRTSA-N 2 0 233.359 1.375 20 0 BDADRP COCC1(C[NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925714301 634427478 /nfs/dbraw/zinc/42/74/78/634427478.db2.gz PHELWTGULMJFMA-NSHDSACASA-N 2 0 224.348 1.287 20 0 BDADRP C[NH+](C)CC(C)(C)C[NH2+][C@H]1COCC1(C)C ZINC000313077046 634447911 /nfs/dbraw/zinc/44/79/11/634447911.db2.gz KNWRQJLUOAXMJL-NSHDSACASA-N 2 0 228.380 1.589 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925717708 634454233 /nfs/dbraw/zinc/45/42/33/634454233.db2.gz DKAULNURTIARAB-MHEUCROKSA-N 2 0 247.386 1.805 20 0 BDADRP C1CC2(C1)[NH2+]CC[C@@H]2N[C@H]1CC[NH2+]C12CCC2 ZINC000925723366 634469454 /nfs/dbraw/zinc/46/94/54/634469454.db2.gz QJEHILBALNXHFK-RYUDHWBXSA-N 2 0 235.375 1.145 20 0 BDADRP C([C@H]1CCCCO1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000257698643 634473237 /nfs/dbraw/zinc/47/32/37/634473237.db2.gz PMDYMWDTDGMGFZ-KGLIPLIRSA-N 2 0 238.375 1.774 20 0 BDADRP CN(CC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)CC(F)F ZINC000925725224 634509298 /nfs/dbraw/zinc/50/92/98/634509298.db2.gz RWYVBNCDAOJDSX-NXEZZACHSA-N 2 0 247.333 1.043 20 0 BDADRP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000310112116 634538483 /nfs/dbraw/zinc/53/84/83/634538483.db2.gz ATLNQEFCEUBUQM-FPMFFAJLSA-N 2 0 238.375 1.628 20 0 BDADRP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@@H]2[NH2+]C[C@H]1C=CCC1 ZINC000925729979 634554971 /nfs/dbraw/zinc/55/49/71/634554971.db2.gz BWGQTZQMOCGNBU-PDWCTOEPSA-N 2 0 236.359 1.295 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1ccns1 ZINC000925731427 634563792 /nfs/dbraw/zinc/56/37/92/634563792.db2.gz KKTMGNNETYFEEM-PWSUYJOCSA-N 2 0 239.388 1.663 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)C12CCC2 ZINC000925736208 634590294 /nfs/dbraw/zinc/59/02/94/634590294.db2.gz ZUBUKTWLFCAING-HXFLIBJXSA-N 2 0 234.265 1.797 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]CCC(C)(C)[NH3+])C1 ZINC000925738268 634596404 /nfs/dbraw/zinc/59/64/04/634596404.db2.gz PPXAXOJDQKHKEO-WDEREUQCSA-N 2 0 214.353 1.661 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000925794395 635326062 /nfs/dbraw/zinc/32/60/62/635326062.db2.gz LLUPKDKEHUVZHP-AAVRWANBSA-N 3 0 239.407 1.339 20 0 BDADRP CC(C)[N@H+](C)CCNC1CC[NH+](C(C)C)CC1 ZINC000054110733 635388125 /nfs/dbraw/zinc/38/81/25/635388125.db2.gz OBVCDDQFLVSOFV-UHFFFAOYSA-N 2 0 241.423 1.789 20 0 BDADRP C[C@@H]1Cc2cc(C[NH2+]C3CC[NH2+]CC3)ccc2O1 ZINC000925830128 635465893 /nfs/dbraw/zinc/46/58/93/635465893.db2.gz FRROTDUTDVSMSS-LLVKDONJSA-N 2 0 246.354 1.852 20 0 BDADRP C[C@@H]([NH2+]C[C@]12CCC[C@H]1OCC2)[C@H]1CC[NH2+]C1 ZINC000925831710 635468124 /nfs/dbraw/zinc/46/81/24/635468124.db2.gz KVVMFDDNYKIROE-XJFOESAGSA-N 2 0 238.375 1.533 20 0 BDADRP CSC[C@@](C)(O)C[NH2+]CC1CC[NH+](C)CC1 ZINC000230151183 635481215 /nfs/dbraw/zinc/48/12/15/635481215.db2.gz MWGPSJXAUPAFPJ-LBPRGKRZSA-N 2 0 246.420 1.032 20 0 BDADRP C[C@@H]([NH2+]C[C@]12CCC[C@H]1OCC2)C1C[NH2+]C1 ZINC000925834626 635481617 /nfs/dbraw/zinc/48/16/17/635481617.db2.gz XRQZNDPXYOFCSD-RAIGVLPGSA-N 2 0 224.348 1.143 20 0 BDADRP C[C@H](NC[C@]12CCC[C@H]1[NH2+]CC2)[C@@H]1CC[NH2+]C1 ZINC000925841841 635507319 /nfs/dbraw/zinc/50/73/19/635507319.db2.gz URMSMMBMYJOAQQ-REWJHTLYSA-N 2 0 237.391 1.106 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)C1(C)C ZINC000233774328 635543143 /nfs/dbraw/zinc/54/31/43/635543143.db2.gz DAOLJYASBLZEFE-XQHKEYJVSA-N 2 0 240.391 1.635 20 0 BDADRP C[C@@H]1CC[N@H+](CCCCCCO)C[C@@H]1C[NH3+] ZINC000235281173 635572706 /nfs/dbraw/zinc/57/27/06/635572706.db2.gz HZCTXNOLPAMVSO-OLZOCXBDSA-N 2 0 228.380 1.456 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cnn(C)c1 ZINC000925876117 635599467 /nfs/dbraw/zinc/59/94/67/635599467.db2.gz RHIRQXPESFROLK-FOGDFJRCSA-N 2 0 222.336 1.198 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ncc[nH]1 ZINC000925882642 635610537 /nfs/dbraw/zinc/61/05/37/635610537.db2.gz ONZJYQMPVOPNAP-AEJSXWLSSA-N 2 0 208.309 1.188 20 0 BDADRP CC(C)(C[NH+]1CCCC1)NCC[NH+]1CCCC1 ZINC000308638054 631453452 /nfs/dbraw/zinc/45/34/52/631453452.db2.gz VYDRSOOGEDHRAH-UHFFFAOYSA-N 2 0 239.407 1.546 20 0 BDADRP CO[C@H]1C[N@H+](CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC000893899532 635634459 /nfs/dbraw/zinc/63/44/59/635634459.db2.gz CUMCUJJSPBGXBU-JSGCOSHPSA-N 2 0 240.391 1.685 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCCSC[C@@H]1C ZINC000934297553 631763546 /nfs/dbraw/zinc/76/35/46/631763546.db2.gz HRJWCXBBSVNOKE-RYUDHWBXSA-N 2 0 246.420 1.126 20 0 BDADRP C[C@@H]1C[C@@H](NCCC(C)(C)[NH3+])CC[N@@H+]1C ZINC000308969608 631773992 /nfs/dbraw/zinc/77/39/92/631773992.db2.gz ONGUOWSKSYNQKV-MNOVXSKESA-N 2 0 213.369 1.186 20 0 BDADRP C[N@H+](CCC1CC1)C[C@H](O)C[NH+]1CCCC1 ZINC000309056140 631832264 /nfs/dbraw/zinc/83/22/64/631832264.db2.gz JZPAZMJOTGREQG-ZDUSSCGKSA-N 2 0 226.364 1.175 20 0 BDADRP C[C@@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000309060177 631835846 /nfs/dbraw/zinc/83/58/46/631835846.db2.gz XIZFDLMKCJJTLR-CHWSQXEVSA-N 2 0 226.364 1.175 20 0 BDADRP CN(C)[C@H]1CCC[N@H+](CCCCCCC[NH3+])C1 ZINC000091395093 631959170 /nfs/dbraw/zinc/95/91/70/631959170.db2.gz FNOLZKMISFSQRB-AWEZNQCLSA-N 2 0 241.423 1.922 20 0 BDADRP CSC1(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000235092799 631978255 /nfs/dbraw/zinc/97/82/55/631978255.db2.gz UINDATKQXOYQQP-NXEZZACHSA-N 2 0 214.378 1.599 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCC[C@H](CO)C2)CC1 ZINC000309354006 632010673 /nfs/dbraw/zinc/01/06/73/632010673.db2.gz GRECXTMIIZCYQT-ZDUSSCGKSA-N 2 0 226.364 1.033 20 0 BDADRP COCC[N@H+](CC[C@H]1CCC[NH2+]C1)CC(C)C ZINC000051919227 632013204 /nfs/dbraw/zinc/01/32/04/632013204.db2.gz AADITROCXIFGGD-CQSZACIVSA-N 2 0 242.407 1.981 20 0 BDADRP CCCNC(=[NH2+])NC[C@H](C)[NH+]1CCCCC1 ZINC000052042788 632054602 /nfs/dbraw/zinc/05/46/02/632054602.db2.gz SYWJISGGIZZVOT-NSHDSACASA-N 2 0 226.368 1.385 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H]2CCC=CO2)C1 ZINC000250600427 635699549 /nfs/dbraw/zinc/69/95/49/635699549.db2.gz JWASPWOYHYZZEO-CHWSQXEVSA-N 2 0 224.348 1.611 20 0 BDADRP C[NH+](C)CC1CCN(c2cc[nH+]cc2CO)CC1 ZINC000126453535 632122039 /nfs/dbraw/zinc/12/20/39/632122039.db2.gz BHVHVCOPGFJEQN-UHFFFAOYSA-N 2 0 249.358 1.352 20 0 BDADRP CC[NH+]1CCN([C@H](C)C[NH2+]CC(C)C)CC1 ZINC000052422225 632405183 /nfs/dbraw/zinc/40/51/83/632405183.db2.gz YMMCRTRAMZUWIK-CYBMUJFWSA-N 2 0 227.396 1.258 20 0 BDADRP COC[C@@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000250461953 632542958 /nfs/dbraw/zinc/54/29/58/632542958.db2.gz LQJPUJSOSAMYRN-CHWSQXEVSA-N 2 0 226.364 1.344 20 0 BDADRP C[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C[NH3+] ZINC000253177091 632567804 /nfs/dbraw/zinc/56/78/04/632567804.db2.gz ARBIXILHINXDRB-NWDGAFQWSA-N 2 0 219.332 1.498 20 0 BDADRP CCN1CCC[C@@H]1C[NH2+][C@@H](C)COC(C)=O ZINC000892414250 632656437 /nfs/dbraw/zinc/65/64/37/632656437.db2.gz QZHDGZWONRYVQU-CMPLNLGQSA-N 2 0 228.336 1.012 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1NCC[NH+]1CCCCCC1 ZINC000089150314 632657248 /nfs/dbraw/zinc/65/72/48/632657248.db2.gz JACMSRULYNUOCA-KGLIPLIRSA-N 2 0 239.407 1.579 20 0 BDADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CC[C@H]1C ZINC000309945297 632685753 /nfs/dbraw/zinc/68/57/53/632685753.db2.gz DDJPDRQSZOZHIC-CHWSQXEVSA-N 2 0 228.380 1.733 20 0 BDADRP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000310310795 632718072 /nfs/dbraw/zinc/71/80/72/632718072.db2.gz WMEOQIKXHRHKPD-HZSPNIEDSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])C1CCOCC1 ZINC000235528064 632777508 /nfs/dbraw/zinc/77/75/08/632777508.db2.gz RZDRSMSCOIAQDU-IACUBPJLSA-N 2 0 240.391 1.909 20 0 BDADRP C[N@H+](CCn1cccn1)CC1CC[NH+](C)CC1 ZINC000154792262 632843233 /nfs/dbraw/zinc/84/32/33/632843233.db2.gz JRBJLZCMRWEOKA-UHFFFAOYSA-N 2 0 236.363 1.157 20 0 BDADRP CC(=O)OC[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000892622536 633020194 /nfs/dbraw/zinc/02/01/94/633020194.db2.gz QWCJRXGKZXEJRK-RYUDHWBXSA-N 2 0 242.363 1.260 20 0 BDADRP CCCC[NH2+]CCCN1CC[NH+](CC)CC1 ZINC000309417458 633041155 /nfs/dbraw/zinc/04/11/55/633041155.db2.gz CYDOVXJUUCNIHK-UHFFFAOYSA-N 2 0 227.396 1.404 20 0 BDADRP C[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)[C@@H]1CCOC1 ZINC000166327792 633110766 /nfs/dbraw/zinc/11/07/66/633110766.db2.gz GWJRWRUZQUHSHK-SWLSCSKDSA-N 2 0 248.370 1.702 20 0 BDADRP CC(C)CCOCC[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000122304289 633205807 /nfs/dbraw/zinc/20/58/07/633205807.db2.gz MUKPWTNRVOGLLA-ZIAGYGMSSA-N 2 0 242.407 1.966 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)[C@H]1CCOC1 ZINC000925516324 633866677 /nfs/dbraw/zinc/86/66/77/633866677.db2.gz KRXFPFZYACZJJV-ZDEQEGDKSA-N 2 0 240.391 1.907 20 0 BDADRP [NH3+]CC(C[NH3+])NCc1c(Cl)cccc1Cl ZINC000309362752 633901226 /nfs/dbraw/zinc/90/12/26/633901226.db2.gz OZASNBHHAJJRNF-UHFFFAOYSA-N 2 0 248.157 1.369 20 0 BDADRP C[C@H](NC(C[NH3+])C[NH3+])c1ccccc1Cl ZINC000309414141 633915339 /nfs/dbraw/zinc/91/53/39/633915339.db2.gz IZBFZADZALNRAW-QMMMGPOBSA-N 2 0 227.739 1.277 20 0 BDADRP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCC2(CCC2)C1 ZINC000309983542 634025674 /nfs/dbraw/zinc/02/56/74/634025674.db2.gz PSJMEIGXRYHQFJ-ZDUSSCGKSA-N 2 0 238.375 1.319 20 0 BDADRP CO[C@H](C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000309975783 634055209 /nfs/dbraw/zinc/05/52/09/634055209.db2.gz SOFJGCYLESULMO-ODWCKFRGSA-N 2 0 226.364 1.626 20 0 BDADRP CC[C@@H](C)[N@H+](C)CCN[C@H]1CC[NH2+]C12CCC2 ZINC000925578543 634079000 /nfs/dbraw/zinc/07/90/00/634079000.db2.gz WVKJGADXRGFXHN-OLZOCXBDSA-N 2 0 239.407 1.591 20 0 BDADRP [NH3+][C@@H](CC(F)F)CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000310420090 634144126 /nfs/dbraw/zinc/14/41/26/634144126.db2.gz YSSHLYTXSRRSLF-WDEREUQCSA-N 2 0 247.333 1.139 20 0 BDADRP CC(C)[NH+]1CCC(N[C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925619793 634177968 /nfs/dbraw/zinc/17/79/68/634177968.db2.gz BEBQZKNUCQYMIE-ZDUSSCGKSA-N 2 0 239.407 1.589 20 0 BDADRP CCOC[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925645396 634199211 /nfs/dbraw/zinc/19/92/11/634199211.db2.gz PZBBYGOJUHWTRO-TUAOUCFPSA-N 2 0 228.380 1.907 20 0 BDADRP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925647525 634203704 /nfs/dbraw/zinc/20/37/04/634203704.db2.gz ZMPBHEYYNVTNIR-NOOOWODRSA-N 2 0 240.391 1.641 20 0 BDADRP CC[C@@H](CO)[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925646247 634204006 /nfs/dbraw/zinc/20/40/06/634204006.db2.gz XAZAVIQCNGRUBV-USZNOCQGSA-N 2 0 226.364 1.124 20 0 BDADRP C[C@H](CCO)CC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925679909 634276471 /nfs/dbraw/zinc/27/64/71/634276471.db2.gz LLUCCWJJTOVDLG-QWHCGFSZSA-N 2 0 240.391 1.659 20 0 BDADRP C[C@@H](CCO)CC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925679908 634277242 /nfs/dbraw/zinc/27/72/42/634277242.db2.gz LLUCCWJJTOVDLG-OLZOCXBDSA-N 2 0 240.391 1.659 20 0 BDADRP CCC1([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000925681421 634280553 /nfs/dbraw/zinc/28/05/53/634280553.db2.gz ZHFOADMKXVSLFU-NGDQXYMTSA-N 2 0 206.333 1.515 20 0 BDADRP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925686469 634300515 /nfs/dbraw/zinc/30/05/15/634300515.db2.gz UVYZJFLMLCSZRH-FVCCEPFGSA-N 2 0 238.375 1.804 20 0 BDADRP C[C@H](Cc1cnn(C)c1)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925687561 634304112 /nfs/dbraw/zinc/30/41/12/634304112.db2.gz CUPWYYZDVVGERO-KGYLQXTDSA-N 2 0 248.374 1.211 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2C[C@@H]([NH3+])C23CCC3)c2nccn21 ZINC000925689945 634310486 /nfs/dbraw/zinc/31/04/86/634310486.db2.gz IUILAYOYHCBXBY-WRWGMCAJSA-N 2 0 246.358 1.748 20 0 BDADRP [NH3+]CCC[C@H]([NH2+][C@H]1C[C@@H](O)C1)c1ccccc1 ZINC000925690853 634314916 /nfs/dbraw/zinc/31/49/16/634314916.db2.gz JYOQJTYHECNWNF-MJBXVCDLSA-N 2 0 234.343 1.580 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H](NC2CC[NH2+]CC2)C1 ZINC000925691991 634322081 /nfs/dbraw/zinc/32/20/81/634322081.db2.gz NXGSRWIBYKYLNS-ZYHUDNBSSA-N 2 0 225.380 1.234 20 0 BDADRP CC1(C)C[C@@H](NC2CC[NH2+]CC2)C[C@@H]([NH3+])C1 ZINC000925691988 634322238 /nfs/dbraw/zinc/32/22/38/634322238.db2.gz NXGSRWIBYKYLNS-PWSUYJOCSA-N 2 0 225.380 1.234 20 0 BDADRP C[C@@H]([NH3+])CC[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925693078 634326817 /nfs/dbraw/zinc/32/68/17/634326817.db2.gz ODPAGDOIEBDSGX-OCCSQVGLSA-N 3 0 235.375 1.794 20 0 BDADRP C[C@@H]([NH3+])CC[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925693079 634327466 /nfs/dbraw/zinc/32/74/66/634327466.db2.gz ODPAGDOIEBDSGX-TZMCWYRMSA-N 3 0 235.375 1.794 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000925694090 634331819 /nfs/dbraw/zinc/33/18/19/634331819.db2.gz QSCOTWSIHXDWAK-WUHRBBMRSA-N 2 0 226.364 1.519 20 0 BDADRP CC[C@@H](O)CCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000398469089 634361938 /nfs/dbraw/zinc/36/19/38/634361938.db2.gz DNPCGPIOBNXRMW-GXTWGEPZSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@H](C[NH3+])CN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925698739 634364435 /nfs/dbraw/zinc/36/44/35/634364435.db2.gz MCCATCNBDCUFAB-MXWKQRLJSA-N 2 0 213.369 1.077 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000925699633 634368401 /nfs/dbraw/zinc/36/84/01/634368401.db2.gz LJTZWHLLBDHZKI-YIYPIFLZSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925700842 634372201 /nfs/dbraw/zinc/37/22/01/634372201.db2.gz WVJBCOJBZHMKCF-JSGCOSHPSA-N 3 0 235.375 1.651 20 0 BDADRP CC[C@@H](CCO)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000094949046 635253484 /nfs/dbraw/zinc/25/34/84/635253484.db2.gz CTVIHBYXSPGVHO-STQMWFEESA-N 2 0 242.407 1.715 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CCC[C@H]1CCF ZINC000925782757 635280313 /nfs/dbraw/zinc/28/03/13/635280313.db2.gz HQDNSRHTUNVIIM-NOOOWODRSA-N 2 0 214.328 1.712 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925785999 635303087 /nfs/dbraw/zinc/30/30/87/635303087.db2.gz RCXBMZQSHWBDAC-RFGFWPKPSA-N 2 0 240.391 1.637 20 0 BDADRP C[C@H]1CCC[C@H]([NH2+]CCN2CCC([NH3+])CC2)C1 ZINC000925808990 635360529 /nfs/dbraw/zinc/36/05/29/635360529.db2.gz GEFLZQDFXBBVJK-JSGCOSHPSA-N 2 0 239.407 1.578 20 0 BDADRP CC[C@H]1CCC[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925814912 635382430 /nfs/dbraw/zinc/38/24/30/635382430.db2.gz MYYDTUZQJULZPW-GXTWGEPZSA-N 2 0 239.407 1.578 20 0 BDADRP CCSCC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261552017 635497682 /nfs/dbraw/zinc/49/76/82/635497682.db2.gz QXPJHDSOZGSRAK-UHFFFAOYSA-N 2 0 228.405 1.815 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)C(C)(C)CO ZINC000924962342 635808405 /nfs/dbraw/zinc/80/84/05/635808405.db2.gz FDAUWFGIPNBCFD-LLVKDONJSA-N 2 0 228.380 1.325 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)c2ncnn21 ZINC000924963561 635809941 /nfs/dbraw/zinc/80/99/41/635809941.db2.gz KUQWGDGAXOFEHF-JQWIXIFHSA-N 2 0 249.362 1.215 20 0 BDADRP C[NH+]1CCC(C[NH2+]CC[C@H]2CCCO2)CC1 ZINC000054243386 636242743 /nfs/dbraw/zinc/24/27/43/636242743.db2.gz QNTRLGXGSYBYSN-CYBMUJFWSA-N 2 0 226.364 1.487 20 0 BDADRP C[N@H+](C[C@H]1CCCOC1)C[C@]1(C)CCC[NH2+]C1 ZINC000250782193 636754315 /nfs/dbraw/zinc/75/43/15/636754315.db2.gz DHRCZJPBOFCAJA-ZIAGYGMSSA-N 2 0 240.391 1.735 20 0 BDADRP CC[C@H](C)[N@H+](C)CCNC(=[NH2+])N[C@H]1C[C@H]1C ZINC000864455910 636762406 /nfs/dbraw/zinc/76/24/06/636762406.db2.gz ATNBRVGVCDYDNS-VWYCJHECSA-N 2 0 226.368 1.239 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]C2CC(CCO)C2)[C@H](C)C1 ZINC000898010408 636852430 /nfs/dbraw/zinc/85/24/30/636852430.db2.gz GDESALSWIMXMDM-BLYZHGLHSA-N 2 0 240.391 1.467 20 0 BDADRP CC(C)[C@H](C[NH2+]CC1CC1)N1CC[NH+](C)CC1 ZINC000040770258 636939263 /nfs/dbraw/zinc/93/92/63/636939263.db2.gz OWCYKVFUTITLRM-AWEZNQCLSA-N 2 0 239.407 1.258 20 0 BDADRP OCc1cc(N2CC[NH+](CC3CC3)CC2)cc[nH+]1 ZINC000042490976 637274454 /nfs/dbraw/zinc/27/44/54/637274454.db2.gz MCTIDVYMWZMWIH-UHFFFAOYSA-N 2 0 247.342 1.106 20 0 BDADRP C[C@H](CCO)C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902362496 637298487 /nfs/dbraw/zinc/29/84/87/637298487.db2.gz XLTPAPHUTICIDN-NEPJUHHUSA-N 2 0 228.380 1.373 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](CCCCO)C1CC1 ZINC000903437621 637360083 /nfs/dbraw/zinc/36/00/83/637360083.db2.gz KQXTXXWJQYQOOP-NEPJUHHUSA-N 2 0 226.364 1.079 20 0 BDADRP CC(C)C[C@@H]1COCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903437947 637361935 /nfs/dbraw/zinc/36/19/35/637361935.db2.gz OSLGIUOSJCVSPJ-HZSPNIEDSA-N 2 0 240.391 1.861 20 0 BDADRP [NH3+]C[C@H]1CCc2ccccc2N1C[C@H]1CCC[NH2+]1 ZINC000903463761 637363900 /nfs/dbraw/zinc/36/39/00/637363900.db2.gz LTBPZBDKJYRGNZ-ZIAGYGMSSA-N 2 0 245.370 1.519 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H]2OCC[C@@H]21 ZINC000903463479 637365095 /nfs/dbraw/zinc/36/50/95/637365095.db2.gz CFICGQJQASYUTF-VOAKCMCISA-N 2 0 224.348 1.095 20 0 BDADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903718508 637377128 /nfs/dbraw/zinc/37/71/28/637377128.db2.gz NZKKHWVNUBKFPV-RDBSUJKOSA-N 2 0 238.375 1.629 20 0 BDADRP CC(C)C[N@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903724951 637379600 /nfs/dbraw/zinc/37/96/00/637379600.db2.gz SWIHNUBTRQBHDQ-ZDUSSCGKSA-N 2 0 240.391 1.733 20 0 BDADRP C[N@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)CC(C)(C)C ZINC000903721437 637379779 /nfs/dbraw/zinc/37/97/79/637379779.db2.gz AHPATWDKRAZGMH-OCCSQVGLSA-N 2 0 240.391 1.733 20 0 BDADRP CC(C)CC[N@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903722909 637379800 /nfs/dbraw/zinc/37/98/00/637379800.db2.gz FGNFPPBVRZNCIK-KGLIPLIRSA-N 2 0 240.391 1.733 20 0 BDADRP C[N@H+](CC1CC1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903723021 637379863 /nfs/dbraw/zinc/37/98/63/637379863.db2.gz RYSHRWGNUOZHNC-STQMWFEESA-N 2 0 224.348 1.097 20 0 BDADRP CC(C)CC[N@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903722907 637380195 /nfs/dbraw/zinc/38/01/95/637380195.db2.gz FGNFPPBVRZNCIK-KBPBESRZSA-N 2 0 240.391 1.733 20 0 BDADRP CC1(C)CCC[N@@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903727087 637380658 /nfs/dbraw/zinc/38/06/58/637380658.db2.gz QCSWEWKDZCRVBF-GXTWGEPZSA-N 2 0 238.375 1.629 20 0 BDADRP [NH3+][C@H](CC(F)F)CN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000904430971 637399680 /nfs/dbraw/zinc/39/96/80/637399680.db2.gz VDOSIKOORRRFQA-ZYHUDNBSSA-N 2 0 247.333 1.187 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H]1COC[C@@H]1C1CC1 ZINC000904475130 637425412 /nfs/dbraw/zinc/42/54/12/637425412.db2.gz ISTGYNQRZMGIGN-YXCITZCRSA-N 2 0 238.375 1.532 20 0 BDADRP CCCN(C(=O)[C@@](C)([NH3+])CCC)[C@H]1CC[NH2+]C1 ZINC000904926882 637531874 /nfs/dbraw/zinc/53/18/74/637531874.db2.gz YGRAEDHBUNNJAJ-AAEUAGOBSA-N 2 0 241.379 1.104 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)NC(C)(C)CCC[NH3+] ZINC000904930572 637532696 /nfs/dbraw/zinc/53/26/96/637532696.db2.gz FJMQWANDCFYGNW-LBPRGKRZSA-N 2 0 229.368 1.138 20 0 BDADRP C[C@](O)(C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)C(F)F ZINC000905058434 637590987 /nfs/dbraw/zinc/59/09/87/637590987.db2.gz GPHXDACETQVGPX-SKDRFNHKSA-N 2 0 248.317 1.076 20 0 BDADRP CC(C)(C)[NH2+]Cc1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000905059901 637593100 /nfs/dbraw/zinc/59/31/00/637593100.db2.gz YGMIXMHPXPUUME-NSHDSACASA-N 2 0 237.351 1.091 20 0 BDADRP Cc1cc(C)cc(C[NH2+][C@H]2C[C@H]([NH3+])C2)c1 ZINC000906508056 638179019 /nfs/dbraw/zinc/17/90/19/638179019.db2.gz JKDOECPRMGHHJE-JOCQHMNTSA-N 2 0 204.317 1.883 20 0 BDADRP [NH3+]C1CC([NH2+]Cc2ccc3ncccc3c2)C1 ZINC000906508366 638180101 /nfs/dbraw/zinc/18/01/01/638180101.db2.gz PMJTUGYQWFMGPA-UHFFFAOYSA-N 2 0 227.311 1.814 20 0 BDADRP [NH3+]C1CC([NH2+]Cc2ccc(-n3ccnc3)cc2)C1 ZINC000906508033 638180313 /nfs/dbraw/zinc/18/03/13/638180313.db2.gz IDVAHRDGZJDPNP-UHFFFAOYSA-N 3 0 242.326 1.452 20 0 BDADRP CN(C)c1ccccc1C[NH2+]C1CC([NH3+])C1 ZINC000906509208 638181741 /nfs/dbraw/zinc/18/17/41/638181741.db2.gz AMENXDDXARDWDL-UHFFFAOYSA-N 2 0 219.332 1.332 20 0 BDADRP COc1ccc(C)cc1CNC1CC([NH3+])C1 ZINC000906509503 638181774 /nfs/dbraw/zinc/18/17/74/638181774.db2.gz GNYLMXFDFVJDIX-UHFFFAOYSA-N 2 0 220.316 1.583 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]C[C@@H]2CCOc3ccccc32)C1 ZINC000906516710 638187173 /nfs/dbraw/zinc/18/71/73/638187173.db2.gz IJAFGVFGTNGXOZ-SRVKXCTJSA-N 2 0 232.327 1.632 20 0 BDADRP COc1cc(C)c(C[NH2+][C@H]2C[C@H]([NH3+])C2)c(C)n1 ZINC000906517302 638187543 /nfs/dbraw/zinc/18/75/43/638187543.db2.gz MGBJWWZWTLHGLY-XYPYZODXSA-N 2 0 235.331 1.286 20 0 BDADRP CCCC[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000906527981 638193609 /nfs/dbraw/zinc/19/36/09/638193609.db2.gz PTNORPFUMKZOKI-ZDUSSCGKSA-N 2 0 227.396 1.402 20 0 BDADRP CO[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)CC[C@@H]1C ZINC000230309025 638589688 /nfs/dbraw/zinc/58/96/88/638589688.db2.gz HJTMBTJTXOFESQ-XQQFMLRXSA-N 2 0 226.364 1.343 20 0 BDADRP C[NH2+]CCCCC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000911684055 639723596 /nfs/dbraw/zinc/72/35/96/639723596.db2.gz LEGDTPFGSFKQNY-NEPJUHHUSA-N 2 0 241.379 1.104 20 0 BDADRP CC(C)(C)[C@@H]([NH3+])CC(=O)N1CCCC[C@H]1C[NH3+] ZINC000911719153 639742804 /nfs/dbraw/zinc/74/28/04/639742804.db2.gz CPZIJRXJRPMXTM-QWRGUYRKSA-N 2 0 241.379 1.090 20 0 BDADRP Cc1cc(C)c(C(=O)NCC[C@H](C)[NH3+])c(C)n1 ZINC000911739694 639767401 /nfs/dbraw/zinc/76/74/01/639767401.db2.gz BLZWHMYAQVAAAY-VIFPVBQESA-N 2 0 235.331 1.474 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)CC2CC([NH3+])C2)cc1 ZINC000911845411 639854620 /nfs/dbraw/zinc/85/46/20/639854620.db2.gz KGBFNYPBOLNYET-BMQDGWLCSA-N 2 0 247.342 1.772 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)CCCC[NH2+]C ZINC000911879849 639865452 /nfs/dbraw/zinc/86/54/52/639865452.db2.gz QCKVYENAOFKFME-LLVKDONJSA-N 2 0 229.368 1.010 20 0 BDADRP CO[C@@H]1CC[C@H]([NH+]2CCC(C)([NH+](C)C)CC2)C1 ZINC000931354615 640167017 /nfs/dbraw/zinc/16/70/17/640167017.db2.gz KZOZXVYBMJSJJT-QWHCGFSZSA-N 2 0 240.391 1.970 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCCCO3)C[C@@H]2C1 ZINC000931428917 640196821 /nfs/dbraw/zinc/19/68/21/640196821.db2.gz CDGOYOVWFMVFHU-RDBSUJKOSA-N 2 0 238.375 1.439 20 0 BDADRP CCc1nocc1C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931435411 640202314 /nfs/dbraw/zinc/20/23/14/640202314.db2.gz ARDIZYVSNMHMLU-NWDGAFQWSA-N 2 0 249.358 1.621 20 0 BDADRP Cc1nn(C)cc1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931441738 640206300 /nfs/dbraw/zinc/20/63/00/640206300.db2.gz OHDSLGGOUIWCGV-OCCSQVGLSA-N 2 0 248.374 1.112 20 0 BDADRP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2CC[NH+]1CCCC1 ZINC000931622062 640292561 /nfs/dbraw/zinc/29/25/61/640292561.db2.gz ODOPUORFFQVQME-KBPBESRZSA-N 2 0 237.391 1.251 20 0 BDADRP CC[C@@H](CO)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000931704086 640327670 /nfs/dbraw/zinc/32/76/70/640327670.db2.gz PPPFNVPPRRZYKS-AWEZNQCLSA-N 2 0 242.407 1.955 20 0 BDADRP C[C@H]1OCC[C@@H]1C[N@@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000931717859 640336607 /nfs/dbraw/zinc/33/66/07/640336607.db2.gz DYTLSECSQDBEBE-SYQHCUMBSA-N 2 0 238.375 1.580 20 0 BDADRP C[NH+]1CCC(C[NH2+]C[C@@H](O)c2ccccc2)CC1 ZINC000044518020 640399708 /nfs/dbraw/zinc/39/97/08/640399708.db2.gz MSSKXYDQHIOBSQ-OAHLLOKOSA-N 2 0 248.370 1.651 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)CCO1 ZINC000932346143 640487566 /nfs/dbraw/zinc/48/75/66/640487566.db2.gz FUKJKCGCHIXKHW-OLZOCXBDSA-N 2 0 226.364 1.582 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H](C)CC1 ZINC000223937858 640593988 /nfs/dbraw/zinc/59/39/88/640593988.db2.gz WXOZIUQETQKEPM-UPJWGTAASA-N 2 0 210.365 1.964 20 0 BDADRP C[C@H](O)C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000224234814 640603566 /nfs/dbraw/zinc/60/35/66/640603566.db2.gz XOSLWBJEDOSSKX-SRVKXCTJSA-N 2 0 214.353 1.268 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC000224882382 640646391 /nfs/dbraw/zinc/64/63/91/640646391.db2.gz IAMRDIPSTPLJLD-AEGPPILISA-N 2 0 248.370 1.779 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000226345720 640750822 /nfs/dbraw/zinc/75/08/22/640750822.db2.gz IIQOERZJFYBNLD-CHWSQXEVSA-N 3 0 239.407 1.435 20 0 BDADRP C[C@H]1OCC[C@@H]1C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933734843 640756710 /nfs/dbraw/zinc/75/67/10/640756710.db2.gz SCQPXAGFTVPNRL-YIYPIFLZSA-N 2 0 238.375 1.295 20 0 BDADRP C[C@@H]1C[C@H]1C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933734103 640760031 /nfs/dbraw/zinc/76/00/31/640760031.db2.gz LOTAKYIYZDWTOJ-MROQNXINSA-N 2 0 208.349 1.526 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](CCc2cnn(C)c2)CC1 ZINC000226420086 640762036 /nfs/dbraw/zinc/76/20/36/640762036.db2.gz ZMYGLNOXVWQBAJ-LLVKDONJSA-N 2 0 236.363 1.022 20 0 BDADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCCCCCO ZINC000226431518 640763941 /nfs/dbraw/zinc/76/39/41/640763941.db2.gz UBDIPRMUXWILLS-ZDUSSCGKSA-N 2 0 230.396 1.844 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(CO)c1 ZINC000227456458 640834360 /nfs/dbraw/zinc/83/43/60/640834360.db2.gz NTZCOEQGXMMQJZ-LSDHHAIUSA-N 2 0 248.370 1.786 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cccc(CO)c1 ZINC000227457157 640834443 /nfs/dbraw/zinc/83/44/43/640834443.db2.gz RZIATJOLLFWXCS-ZIAGYGMSSA-N 2 0 234.343 1.396 20 0 BDADRP C[NH+]1CCC(C[NH2+]CC2CCC(O)CC2)CC1 ZINC000227653533 640844332 /nfs/dbraw/zinc/84/43/32/640844332.db2.gz JVEUCCHBSUPMOC-UHFFFAOYSA-N 2 0 240.391 1.469 20 0 BDADRP C[NH+]1CCC(C[NH2+]CC(C)(C)CCO)CC1 ZINC000227910764 640853484 /nfs/dbraw/zinc/85/34/84/640853484.db2.gz GFJZIIQEFNGVJD-UHFFFAOYSA-N 2 0 228.380 1.326 20 0 BDADRP CC(C)(CCO)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000227909192 640854094 /nfs/dbraw/zinc/85/40/94/640854094.db2.gz PUBRMDGCJPRNHF-NEPJUHHUSA-N 2 0 228.380 1.502 20 0 BDADRP Cc1nn(C)cc1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000228328339 640870353 /nfs/dbraw/zinc/87/03/53/640870353.db2.gz PGVGNZWAQOFGLU-CMPLNLGQSA-N 2 0 236.363 1.288 20 0 BDADRP Cc1cncc(C[N@@H+]2CC[C@H](CC[NH3+])C2)c1 ZINC000228645263 640888214 /nfs/dbraw/zinc/88/82/14/640888214.db2.gz POLAYCVQDKPPDL-LBPRGKRZSA-N 2 0 219.332 1.561 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000229256078 640939628 /nfs/dbraw/zinc/93/96/28/640939628.db2.gz BCXZMMRTXQSAJQ-NEPJUHHUSA-N 2 0 212.337 1.226 20 0 BDADRP COCCC[N@H+](C)CCCCCC[NH3+] ZINC000062036288 641017074 /nfs/dbraw/zinc/01/70/74/641017074.db2.gz HISXZWOLXGGVSX-UHFFFAOYSA-N 2 0 202.342 1.474 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@H+](C[Si](C)(C)C)C1 ZINC000172196860 641047598 /nfs/dbraw/zinc/04/75/98/641047598.db2.gz FLYRLBFZVVOOMM-NSHDSACASA-N 2 0 214.429 1.747 20 0 BDADRP CCC(CC)[C@@H](O)C[NH2+]CC1CC[NH+](C)CC1 ZINC000230499088 641059603 /nfs/dbraw/zinc/05/96/03/641059603.db2.gz JBPMGWHWPJOAON-AWEZNQCLSA-N 2 0 242.407 1.715 20 0 BDADRP Cn1nccc1CC[N@H+](C)C1CCC([NH3+])CC1 ZINC000230745608 641090725 /nfs/dbraw/zinc/09/07/25/641090725.db2.gz YGJAZDXFMWMPLE-UHFFFAOYSA-N 2 0 236.363 1.164 20 0 BDADRP C[C@@H]1CN(C[C@]2(C)CCC[NH2+]C2)CCO1 ZINC000062861655 641100934 /nfs/dbraw/zinc/10/09/34/641100934.db2.gz ZFHMTKVNHKBDDF-VXGBXAGGSA-N 2 0 212.337 1.097 20 0 BDADRP CCOC1CC[NH+](C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000062862322 641101284 /nfs/dbraw/zinc/10/12/84/641101284.db2.gz IMXUTURGBCAEBJ-AWEZNQCLSA-N 2 0 240.391 1.877 20 0 BDADRP CC[NH+](CC)[C@H]1CCN(CCC[NH2+]C2CC2)C1 ZINC000062967709 641111874 /nfs/dbraw/zinc/11/18/74/641111874.db2.gz YFBZFDTYBLDNHI-AWEZNQCLSA-N 2 0 239.407 1.545 20 0 BDADRP COC(=O)CC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063200623 641144627 /nfs/dbraw/zinc/14/46/27/641144627.db2.gz XNDDAEOETJUOTJ-LBPRGKRZSA-N 2 0 240.347 1.014 20 0 BDADRP C[N@H+](CCc1cccnc1)C1CC[NH2+]CC1 ZINC000063223625 641144736 /nfs/dbraw/zinc/14/47/36/641144736.db2.gz GQZDAHRXEBMGLV-UHFFFAOYSA-N 2 0 219.332 1.308 20 0 BDADRP C[N@H+](C[C@H](O)CC1CCCC1)C1CC[NH2+]CC1 ZINC000232148350 641248351 /nfs/dbraw/zinc/24/83/51/641248351.db2.gz HQUZMZKIFNRPOP-CQSZACIVSA-N 2 0 240.391 1.611 20 0 BDADRP C[NH2+]CCC[N@H+](C)C[C@H](O)CC1CCCC1 ZINC000232148740 641250004 /nfs/dbraw/zinc/25/00/04/641250004.db2.gz OOEPBSDNVZEFCU-CYBMUJFWSA-N 2 0 228.380 1.469 20 0 BDADRP C[NH+](C)CCCC[NH2+]Cc1ccc(O)c(F)c1 ZINC000232422580 641277376 /nfs/dbraw/zinc/27/73/76/641277376.db2.gz KVXWYVPIOZESRS-UHFFFAOYSA-N 2 0 240.322 1.963 20 0 BDADRP CC[C@@H](CO)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000929695412 641402086 /nfs/dbraw/zinc/40/20/86/641402086.db2.gz GDJHPRSMYIERGH-STQMWFEESA-N 2 0 226.364 1.175 20 0 BDADRP C[N@H+](CC1CC[NH2+]CC1)C[C@H]1CCCCO1 ZINC000042466608 641551440 /nfs/dbraw/zinc/55/14/40/641551440.db2.gz LHMMVDOTRAMLRO-CYBMUJFWSA-N 2 0 226.364 1.487 20 0 BDADRP C[NH+]1CCN(C[C@H]([NH3+])CCC(C)(C)C)CC1 ZINC000076069125 641791045 /nfs/dbraw/zinc/79/10/45/641791045.db2.gz CCICPWSWFBJTFV-GFCCVEGCSA-N 2 0 227.396 1.387 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCC=CO2)C1 ZINC000190204971 641850670 /nfs/dbraw/zinc/85/06/70/641850670.db2.gz QKKXXJHZRMAVNK-KBPBESRZSA-N 2 0 238.375 1.953 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCCCO1 ZINC000925480353 642499774 /nfs/dbraw/zinc/49/97/74/642499774.db2.gz JSKVBLHVVUENAH-NFMDPKQHSA-N 2 0 238.375 1.661 20 0 BDADRP CC1(C[NH2+][C@H]2CC[NH2+]C23CCCC3)COC1 ZINC000925481713 642531745 /nfs/dbraw/zinc/53/17/45/642531745.db2.gz JTWJGAXMOXJFLU-NSHDSACASA-N 2 0 224.348 1.287 20 0 BDADRP [NH3+]CCc1ccc(C[NH2+]CC2CC2)cc1 ZINC000070533146 643034160 /nfs/dbraw/zinc/03/41/60/643034160.db2.gz IFCBDTXNRJWGEE-UHFFFAOYSA-N 2 0 204.317 1.687 20 0 BDADRP C[C@H](NC(=[NH2+])NCC[NH+]1CCCCC1)C1CC1 ZINC000080893649 643166395 /nfs/dbraw/zinc/16/63/95/643166395.db2.gz NAJHRJXOAXBMAA-NSHDSACASA-N 2 0 238.379 1.175 20 0 BDADRP CC[NH+]1CCC(N(C)C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000233996162 643346870 /nfs/dbraw/zinc/34/68/70/643346870.db2.gz DLTQINRNRFETCZ-OLZOCXBDSA-N 2 0 239.407 1.258 20 0 BDADRP C[C@@H]1C[N@H+](CCC[NH3+])Cc2ccccc21 ZINC000082791065 643382878 /nfs/dbraw/zinc/38/28/78/643382878.db2.gz KUENAXTYIDPLEB-LLVKDONJSA-N 2 0 204.317 1.955 20 0 BDADRP Cc1ncc(C[NH2+]CCC(C)(C)[NH3+])s1 ZINC000082773183 643525216 /nfs/dbraw/zinc/52/52/16/643525216.db2.gz LYOYPDGDZXGHOC-UHFFFAOYSA-N 2 0 213.350 1.669 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@@H]1C[NH3+])c1ccncc1 ZINC000084218019 643649723 /nfs/dbraw/zinc/64/97/23/643649723.db2.gz GUFDBIKPXNLDRX-UHTWSYAYSA-N 2 0 219.332 1.860 20 0 BDADRP Cc1ncsc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000084221846 643650005 /nfs/dbraw/zinc/65/00/05/643650005.db2.gz GLVFQJARSGTOQL-ZJUUUORDSA-N 2 0 225.361 1.669 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1NCc1cc[nH]n1 ZINC000084216419 643650249 /nfs/dbraw/zinc/65/02/49/643650249.db2.gz QPSGCSLYFZEQBZ-MWLCHTKSSA-N 2 0 208.309 1.017 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000084217103 643651497 /nfs/dbraw/zinc/65/14/97/643651497.db2.gz ADVYWARKJGOFNL-UTUOFQBUSA-N 2 0 214.353 1.255 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC(C)(C)O1 ZINC000085015534 643679179 /nfs/dbraw/zinc/67/91/79/643679179.db2.gz MMTBZWVAJLWWRJ-UTUOFQBUSA-N 2 0 226.364 1.613 20 0 BDADRP C[C@@H](C[NH2+]Cc1cc[nH]c(=O)c1)C[NH+](C)C ZINC000922139424 643870856 /nfs/dbraw/zinc/87/08/56/643870856.db2.gz ICVVKNBALLBFFN-JTQLQIEISA-N 2 0 223.320 1.075 20 0 BDADRP CC(C)CC[C@@H](O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000923284520 644308928 /nfs/dbraw/zinc/30/89/28/644308928.db2.gz OPLUAXUKWZYBJC-GXTWGEPZSA-N 2 0 242.407 1.843 20 0 BDADRP Cc1ccc([C@@H](O)C[N@@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000923280256 644312143 /nfs/dbraw/zinc/31/21/43/644312143.db2.gz FZHUCMCOPMAUFN-OCCSQVGLSA-N 2 0 234.343 1.309 20 0 BDADRP CC(C)CC[C@H](O)C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000923288104 644320888 /nfs/dbraw/zinc/32/08/88/644320888.db2.gz HKMYJBJAMILVAN-MJBXVCDLSA-N 2 0 242.407 1.843 20 0 BDADRP C[NH2+]CC1CC[NH+](C[C@@H](O)CCC(C)C)CC1 ZINC000923289972 644323493 /nfs/dbraw/zinc/32/34/93/644323493.db2.gz KOUAXCVQIXCIOO-AWEZNQCLSA-N 2 0 242.407 1.715 20 0 BDADRP Cc1ccc([C@H](O)C[N@H+](C)CCC[NH3+])cc1 ZINC000923290109 644324299 /nfs/dbraw/zinc/32/42/99/644324299.db2.gz BOYZUKNUBWISJG-CYBMUJFWSA-N 2 0 222.332 1.309 20 0 BDADRP C[C@H]1CCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923298414 644337002 /nfs/dbraw/zinc/33/70/02/644337002.db2.gz BSVPJNKUONQCGZ-RYUDHWBXSA-N 2 0 224.348 1.097 20 0 BDADRP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@H](O)CC1CCCC1 ZINC000923298864 644338439 /nfs/dbraw/zinc/33/84/39/644338439.db2.gz GIFBIONOWVBFTA-KGLIPLIRSA-N 2 0 242.407 1.891 20 0 BDADRP CC[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C(C)C ZINC000923301854 644338683 /nfs/dbraw/zinc/33/86/83/644338683.db2.gz ZDUMMGYUUIIVES-LLVKDONJSA-N 2 0 212.337 1.095 20 0 BDADRP CC1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923298405 644338972 /nfs/dbraw/zinc/33/89/72/644338972.db2.gz BNYAZLIJSLDNFO-LBPRGKRZSA-N 2 0 224.348 1.097 20 0 BDADRP CC[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CCC1 ZINC000923317888 644343171 /nfs/dbraw/zinc/34/31/71/644343171.db2.gz XJGHZZCBGBHOAT-GFCCVEGCSA-N 2 0 224.348 1.239 20 0 BDADRP CC[N@H+](CC1CC1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923316069 644344026 /nfs/dbraw/zinc/34/40/26/644344026.db2.gz PVCKMSFNMRWJJV-GFCCVEGCSA-N 2 0 224.348 1.097 20 0 BDADRP CN(CCC[NH2+]C1CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923327662 644346953 /nfs/dbraw/zinc/34/69/53/644346953.db2.gz FUUSSCPOOGYJIW-PBWFPOADSA-N 2 0 237.391 1.343 20 0 BDADRP CC[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H](C)C(C)C ZINC000923308936 644347005 /nfs/dbraw/zinc/34/70/05/644347005.db2.gz KCRDINUAJKDRQY-STQMWFEESA-N 2 0 240.391 1.731 20 0 BDADRP CCC[N@H+](C[C@@H](O)CSC)C1CC[NH2+]CC1 ZINC000923327899 644347648 /nfs/dbraw/zinc/34/76/48/644347648.db2.gz SWTGUUFVQGNHQM-GFCCVEGCSA-N 2 0 246.420 1.174 20 0 BDADRP Cc1ccc([C@H](O)C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000923330775 644349846 /nfs/dbraw/zinc/34/98/46/644349846.db2.gz IOCNDTFWJVXEMD-NWANDNLSSA-N 2 0 248.370 1.698 20 0 BDADRP CC[N@H+](C)C[C@H]1CCN(CCC[NH2+]C2CC2)C1 ZINC000923327503 644352003 /nfs/dbraw/zinc/35/20/03/644352003.db2.gz UEGNCLDZIYNGBG-CYBMUJFWSA-N 2 0 239.407 1.402 20 0 BDADRP CCc1ncc(CN2CC[C@]3(CC[NH2+]C3)C2)o1 ZINC000923332968 644353856 /nfs/dbraw/zinc/35/38/56/644353856.db2.gz YHBNXOJQGDZOMP-ZDUSSCGKSA-N 2 0 235.331 1.422 20 0 BDADRP CCc1onc(C)c1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000923333058 644354824 /nfs/dbraw/zinc/35/48/24/644354824.db2.gz SYMVVUNUPYKEFP-GXSJLCMTSA-N 2 0 237.347 1.715 20 0 BDADRP [NH3+]CCN(CCC[NH2+]C1CC1)Cc1ccccc1 ZINC000923331818 644360470 /nfs/dbraw/zinc/36/04/70/644360470.db2.gz NGGLQCTZBVYUEO-UHFFFAOYSA-N 2 0 247.386 1.589 20 0 BDADRP CC[C@H]1CN(CCC[NH2+]C2CC2)CC[C@H]1[NH3+] ZINC000923343360 644363506 /nfs/dbraw/zinc/36/35/06/644363506.db2.gz AIFGAAPVCXVJTH-WCQYABFASA-N 2 0 225.380 1.188 20 0 BDADRP CCOCCOCC[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000923346450 644365849 /nfs/dbraw/zinc/36/58/49/644365849.db2.gz XZPOOYSZNRGUBX-CHWSQXEVSA-N 2 0 244.379 1.099 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC000923355808 644372013 /nfs/dbraw/zinc/37/20/13/644372013.db2.gz OGIAGOAKHYNXBF-LSDHHAIUSA-N 2 0 248.370 1.261 20 0 BDADRP Cc1ccc([C@H](O)C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000923355221 644373268 /nfs/dbraw/zinc/37/32/68/644373268.db2.gz HVGVPKSIQWIMPU-HUUCEWRRSA-N 2 0 248.370 1.699 20 0 BDADRP [NH3+]CC(C[NH3+])N[C@H]1CCCc2ccc(F)cc21 ZINC000923359134 644374080 /nfs/dbraw/zinc/37/40/80/644374080.db2.gz MJUJGGVNSBSTRN-ZDUSSCGKSA-N 2 0 237.322 1.079 20 0 BDADRP C[NH2+]CCN(C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923362472 644385754 /nfs/dbraw/zinc/38/57/54/644385754.db2.gz UYKDVPMCNCPSMV-YHWZYXNKSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H]([NH2+][C@H]1C[C@H]([NH3+])C[C@@H]1O)[C@@H](C)c1ccccc1 ZINC000923378348 644390542 /nfs/dbraw/zinc/39/05/42/644390542.db2.gz KBXVIWBKXKAWRN-MFHWUAJNSA-N 2 0 248.370 1.619 20 0 BDADRP C[C@@H]([NH2+][C@H]1C[C@H]([NH3+])C[C@@H]1O)[C@H](C)c1ccccc1 ZINC000923378345 644391016 /nfs/dbraw/zinc/39/10/16/644391016.db2.gz KBXVIWBKXKAWRN-HZZBMVKVSA-N 2 0 248.370 1.619 20 0 BDADRP C[NH2+]CCC[N@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923376829 644391242 /nfs/dbraw/zinc/39/12/42/644391242.db2.gz BBAXFUVBUYAVQP-AGUYFDCRSA-N 3 0 239.407 1.448 20 0 BDADRP [NH3+]C[C@]12CCC[C@H]1CN(CCC[NH2+]C1CC1)C2 ZINC000923386192 644398403 /nfs/dbraw/zinc/39/84/03/644398403.db2.gz HDWDPRGEBRGAFA-JSGCOSHPSA-N 2 0 237.391 1.189 20 0 BDADRP [NH3+][C@@H]1CCCCCN(CCC[NH2+]C2CC2)C1 ZINC000923410782 644410674 /nfs/dbraw/zinc/41/06/74/644410674.db2.gz JJNQYOVUAZCXRL-GFCCVEGCSA-N 2 0 225.380 1.332 20 0 BDADRP Cc1ccc([C@H](O)C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)cc1 ZINC000923419821 644424622 /nfs/dbraw/zinc/42/46/22/644424622.db2.gz DMJDPRBMORCGQF-MGPQQGTHSA-N 2 0 248.370 1.744 20 0 BDADRP CCCC[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923458380 644437800 /nfs/dbraw/zinc/43/78/00/644437800.db2.gz OJYDWPCYFMAGAJ-LBPRGKRZSA-N 2 0 226.364 1.616 20 0 BDADRP Cc1ccc(CN2CCC[C@]([NH3+])(CO)C2)c(C)c1 ZINC000923474737 644454759 /nfs/dbraw/zinc/45/47/59/644454759.db2.gz KDFFYVXHWUDVTL-OAHLLOKOSA-N 2 0 248.370 1.589 20 0 BDADRP CN(CCC[NH2+]C1CC1)C[C@@H]1CCC[N@@H+]1C ZINC000086188412 644458090 /nfs/dbraw/zinc/45/80/90/644458090.db2.gz PURIFGFJZPPQEL-ZDUSSCGKSA-N 2 0 225.380 1.155 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)CC[C@H]1C[NH3+] ZINC000923490076 644464337 /nfs/dbraw/zinc/46/43/37/644464337.db2.gz AQFHNNUCTBZRNV-VHDGCEQUSA-N 2 0 248.370 1.637 20 0 BDADRP COC(=O)CCCC[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923490679 644465014 /nfs/dbraw/zinc/46/50/14/644465014.db2.gz OQKOZSFCUVXNQP-NWDGAFQWSA-N 2 0 242.363 1.246 20 0 BDADRP Cc1ccncc1C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923488446 644465819 /nfs/dbraw/zinc/46/58/19/644465819.db2.gz FVWKPQROCNVFCO-QWHCGFSZSA-N 2 0 233.359 1.807 20 0 BDADRP Cc1nnsc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923488386 644465973 /nfs/dbraw/zinc/46/59/73/644465973.db2.gz DYOABZJFPNGBPJ-WPRPVWTQSA-N 2 0 240.376 1.263 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCCO2)CC[C@@H]1C[NH3+] ZINC000923489850 644466013 /nfs/dbraw/zinc/46/60/13/644466013.db2.gz MECNTGHIISYAEK-UPJWGTAASA-N 2 0 226.364 1.472 20 0 BDADRP Cc1cc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)no1 ZINC000923490399 644466326 /nfs/dbraw/zinc/46/63/26/644466326.db2.gz NKBMFWMNJXQCKJ-MWLCHTKSSA-N 2 0 223.320 1.400 20 0 BDADRP Cc1cc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)ccn1 ZINC000923491907 644467034 /nfs/dbraw/zinc/46/70/34/644467034.db2.gz VBKLJTVCZSWWPG-BXUZGUMPSA-N 2 0 233.359 1.807 20 0 BDADRP COc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)on1 ZINC000923492925 644467650 /nfs/dbraw/zinc/46/76/50/644467650.db2.gz ZMHBXMOQILXSKJ-ZJUUUORDSA-N 2 0 239.319 1.100 20 0 BDADRP C[C@@H](c1cnccn1)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923492301 644468143 /nfs/dbraw/zinc/46/81/43/644468143.db2.gz BMMOFGAZBAJHCY-WOPDTQHZSA-N 2 0 234.347 1.454 20 0 BDADRP C[NH+](C)C1(CN[C@H]2CC[NH2+]C2)CCCCC1 ZINC000086725019 644469033 /nfs/dbraw/zinc/46/90/33/644469033.db2.gz BZYUYVTZSFBOHM-LBPRGKRZSA-N 2 0 225.380 1.202 20 0 BDADRP COCC[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923503313 644469621 /nfs/dbraw/zinc/46/96/21/644469621.db2.gz IVMNJTPTIALSBI-ZDUSSCGKSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccncc2)CC[C@H]1C[NH3+] ZINC000923497107 644470135 /nfs/dbraw/zinc/47/01/35/644470135.db2.gz KYXKCZDABBRVBD-YPMHNXCESA-N 2 0 219.332 1.498 20 0 BDADRP C[C@H]1C[N@H+](CCC2CC[NH2+]CC2)CC[C@H]1C[NH3+] ZINC000923502023 644470299 /nfs/dbraw/zinc/47/02/99/644470299.db2.gz WBJOGBJGEHZXCE-JSGCOSHPSA-N 3 0 239.407 1.293 20 0 BDADRP Cc1c[nH]nc1C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923493719 644470604 /nfs/dbraw/zinc/47/06/04/644470604.db2.gz UMCLZBBCHLTLFW-WDEREUQCSA-N 2 0 222.336 1.135 20 0 BDADRP CCCN(C(=O)CCCCC[NH3+])[C@@H]1CC[NH2+]C1 ZINC000187176971 644472039 /nfs/dbraw/zinc/47/20/39/644472039.db2.gz DTFXBAWWJYXYKP-GFCCVEGCSA-N 2 0 241.379 1.106 20 0 BDADRP CCCOC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923500656 644472252 /nfs/dbraw/zinc/47/22/52/644472252.db2.gz WMEUAVJCCBXQQI-GRYCIOLGSA-N 2 0 242.363 1.245 20 0 BDADRP C[C@@H]1C[N@H+](CCCCCCC[NH3+])CC[C@H]1C[NH3+] ZINC000923497413 644472868 /nfs/dbraw/zinc/47/28/68/644472868.db2.gz DYXPKGODUVSPJD-KGLIPLIRSA-N 3 0 241.423 1.812 20 0 BDADRP C[C@@H]1C[N@H+](CCc2cccnc2)CC[C@H]1C[NH3+] ZINC000923500257 644472899 /nfs/dbraw/zinc/47/28/99/644472899.db2.gz MWNHBKZQTJTHKP-OCCSQVGLSA-N 2 0 233.359 1.541 20 0 BDADRP C(C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@@H]1CCCCO1 ZINC000923515777 644481434 /nfs/dbraw/zinc/48/14/34/644481434.db2.gz LXZHEZHHVUGRIK-MJBXVCDLSA-N 2 0 238.375 1.487 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCOC[C@H]2CC2CC2)C1 ZINC000923555195 644497592 /nfs/dbraw/zinc/49/75/92/644497592.db2.gz QUQNCXLRXZZKDC-BFHYXJOUSA-N 2 0 238.375 1.615 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCOc1ccccc1 ZINC000089150413 644535284 /nfs/dbraw/zinc/53/52/84/644535284.db2.gz VRILFIQDNLBHEP-GXTWGEPZSA-N 2 0 234.343 1.782 20 0 BDADRP COc1cc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])ccn1 ZINC000089150633 644536810 /nfs/dbraw/zinc/53/68/10/644536810.db2.gz CGSZUPUBRVVRKX-NWDGAFQWSA-N 2 0 235.331 1.307 20 0 BDADRP C[N@H+](CC(=O)NC(C)(C)C)C1CCC([NH3+])CC1 ZINC000091847516 644641807 /nfs/dbraw/zinc/64/18/07/644641807.db2.gz VIJLTMZTLAYUJU-UHFFFAOYSA-N 2 0 241.379 1.103 20 0 BDADRP C[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)[NH+](C)C ZINC000093452696 644691687 /nfs/dbraw/zinc/69/16/87/644691687.db2.gz XRJGGBGMEBIIGQ-YIYPIFLZSA-N 2 0 239.407 1.447 20 0 BDADRP CCN1CCC[C@H]1C[NH2+]C[C@H]1CCC=CO1 ZINC000250256247 644752410 /nfs/dbraw/zinc/75/24/10/644752410.db2.gz JDQNPNMQBNOEQX-QWHCGFSZSA-N 2 0 224.348 1.753 20 0 BDADRP CN1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000250646975 644773110 /nfs/dbraw/zinc/77/31/10/644773110.db2.gz VOVQYJIHGROAPL-XDQVBPFNSA-N 2 0 237.391 1.201 20 0 BDADRP [NH3+]C[C@H]1CCC[N@H+](CC[C@H]2CCCO2)C1 ZINC000251455455 644804579 /nfs/dbraw/zinc/80/45/79/644804579.db2.gz UFCQMJACQQTLNM-VXGBXAGGSA-N 2 0 212.337 1.226 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCC[C@H]1O ZINC000251469880 644805080 /nfs/dbraw/zinc/80/50/80/644805080.db2.gz VRLUZAMIMVJPDT-QNWHQSFQSA-N 2 0 226.364 1.255 20 0 BDADRP CCc1nn(C)cc1C[NH2+]CCC(C)(C)[NH3+] ZINC000304562395 644916973 /nfs/dbraw/zinc/91/69/73/644916973.db2.gz GZKMSVQOWPJMMI-UHFFFAOYSA-N 2 0 224.352 1.200 20 0 BDADRP CS[C@H](C)C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000252953969 644927494 /nfs/dbraw/zinc/92/74/94/644927494.db2.gz HEDDJLBPEWILIN-KXUCPTDWSA-N 2 0 202.367 1.455 20 0 BDADRP C[NH2+]CCC[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000843389286 645289301 /nfs/dbraw/zinc/28/93/01/645289301.db2.gz ZYXNWTSAZHVUSV-GFCCVEGCSA-N 2 0 219.332 1.480 20 0 BDADRP CC[NH2+]CC(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000844190094 645315460 /nfs/dbraw/zinc/31/54/60/645315460.db2.gz ZBBSMIVOFSTZRG-UHFFFAOYSA-N 2 0 249.358 1.605 20 0 BDADRP C[N@@H+]1CC[C@@H](N[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925487227 645463752 /nfs/dbraw/zinc/46/37/52/645463752.db2.gz LYJLVFDMTFCKSB-NDBYEHHHSA-N 2 0 237.391 1.057 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)C(C)(C)CO ZINC000924646262 646084323 /nfs/dbraw/zinc/08/43/23/646084323.db2.gz DLJAONOMSQBHLR-NWDGAFQWSA-N 2 0 240.391 1.467 20 0 BDADRP CCC[NH+](C)[C@@H](C)CNC(=O)C[N@@H+](C)CCC ZINC000929412085 646112253 /nfs/dbraw/zinc/11/22/53/646112253.db2.gz MACNGWAFBXKFKH-LBPRGKRZSA-N 2 0 243.395 1.175 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000924852726 646116296 /nfs/dbraw/zinc/11/62/96/646116296.db2.gz KTBASHSJUOKYIB-KBHBFKLGSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)c2ncnn21 ZINC000924853113 646119512 /nfs/dbraw/zinc/11/95/12/646119512.db2.gz IKUXGGWAWWNFMA-WDEREUQCSA-N 2 0 237.351 1.215 20 0 BDADRP C[C@@H]1COC[C@H]1[NH2+]CCCCNc1ccccn1 ZINC000924927689 646135059 /nfs/dbraw/zinc/13/50/59/646135059.db2.gz QQWPIPBQLIQUHC-CHWSQXEVSA-N 2 0 249.358 1.898 20 0 BDADRP CC[C@@H](CO)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000929689126 646245747 /nfs/dbraw/zinc/24/57/47/646245747.db2.gz BWJPJHIFSDRIBD-UONOGXRCSA-N 2 0 240.391 1.708 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CNCCOC1)C1CCCC1 ZINC000925488871 646298860 /nfs/dbraw/zinc/29/88/60/646298860.db2.gz MXJMXXDOZOYZHL-ZYHUDNBSSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H](O)CC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925499621 646303033 /nfs/dbraw/zinc/30/30/33/646303033.db2.gz RLZMDCBZYXVGCF-IACUBPJLSA-N 2 0 240.391 1.515 20 0 BDADRP CC1(C)C[C@@H]([NH2+]C[C@H]2CCCO2)C[C@@H]([NH3+])C1 ZINC000925506272 646306870 /nfs/dbraw/zinc/30/68/70/646306870.db2.gz YPEBMWJGZCCREE-GRYCIOLGSA-N 2 0 226.364 1.661 20 0 BDADRP C[NH+]1CCC(C[NH2+]CC2CC(F)(F)C2)CC1 ZINC000383290353 711527641 /nfs/dbraw/zinc/52/76/41/711527641.db2.gz QTFYQBDXLAKTJV-UHFFFAOYSA-N 2 0 232.318 1.963 20 0 BDADRP CC(C)C[C@H](CCO)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925528706 646317481 /nfs/dbraw/zinc/31/74/81/646317481.db2.gz VWDFLHOWWPMDDY-QWHCGFSZSA-N 2 0 242.407 1.761 20 0 BDADRP C[C@H]([NH3+])[C@@H](NCC1(CO)CC1)c1ccccc1 ZINC000925530200 646320385 /nfs/dbraw/zinc/32/03/85/646320385.db2.gz PGOLEOWQMAKSND-WCQYABFASA-N 2 0 234.343 1.437 20 0 BDADRP C[C@H](Cc1ccncc1)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925542809 646323666 /nfs/dbraw/zinc/32/36/66/646323666.db2.gz PKEPFTUTVMOTGB-MRVWCRGKSA-N 2 0 245.370 1.872 20 0 BDADRP CC[C@@H](CCO)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925542338 646323970 /nfs/dbraw/zinc/32/39/70/646323970.db2.gz ZORYLZKUMJXGIS-NWDGAFQWSA-N 2 0 226.364 1.269 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@H]1CC[NH2+]C1(C)C ZINC000925553423 646329510 /nfs/dbraw/zinc/32/95/10/646329510.db2.gz RHYXSSPCLPPLBQ-RTXFEEFZSA-N 2 0 237.391 1.199 20 0 BDADRP C[N@@H+]1CCC[C@@H](CN[C@H]2CC[NH2+]C23CCC3)C1 ZINC000925556719 646331067 /nfs/dbraw/zinc/33/10/67/646331067.db2.gz MDDPLHRNCJFZCB-STQMWFEESA-N 2 0 237.391 1.202 20 0 BDADRP C(C1CC1)[N@@H+]1CC[C@@H](N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000925557811 646333837 /nfs/dbraw/zinc/33/38/37/646333837.db2.gz QPUDUVZXPWFQTE-KGLIPLIRSA-N 2 0 249.402 1.345 20 0 BDADRP CC[N@@H+]1CCCC[C@H]1CN[C@H]1CC[NH2+]C1(C)C ZINC000925573827 646342145 /nfs/dbraw/zinc/34/21/45/646342145.db2.gz PXPXKNBLAQPMIG-STQMWFEESA-N 2 0 239.407 1.591 20 0 BDADRP CC1(C)C[C@H]1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925597674 646352054 /nfs/dbraw/zinc/35/20/54/646352054.db2.gz RAUOFEMLOFRTDX-QWRGUYRKSA-N 2 0 208.349 1.907 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CO)CC2)C12CCC2 ZINC000925605034 646354679 /nfs/dbraw/zinc/35/46/79/646354679.db2.gz CWWSXYMXCWZYNG-RNJOBUHISA-N 2 0 238.375 1.397 20 0 BDADRP CC(C)(CO)CCC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925624422 646369609 /nfs/dbraw/zinc/36/96/09/646369609.db2.gz XHQXFMGDFZYIER-NSHDSACASA-N 2 0 228.380 1.515 20 0 BDADRP C[C@@H]1CCC[N@@H+]1CCN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925623130 646369647 /nfs/dbraw/zinc/36/96/47/646369647.db2.gz OYOQWMIQXUICDC-FRRDWIJNSA-N 2 0 237.391 1.330 20 0 BDADRP C[C@@H](CCO)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925622369 646370480 /nfs/dbraw/zinc/37/04/80/646370480.db2.gz KSUPTNXMEFJYSY-NWDGAFQWSA-N 2 0 226.364 1.269 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCOCC(F)F ZINC000925650601 646390547 /nfs/dbraw/zinc/39/05/47/646390547.db2.gz WWJLLNAGIKPOTD-GJYTXDDASA-N 2 0 248.317 1.374 20 0 BDADRP [NH3+]CCC[C@@H]([NH2+]CCCCO)c1ccccc1 ZINC000925659215 646396403 /nfs/dbraw/zinc/39/64/03/646396403.db2.gz XEYVHGTWNQSKBR-CQSZACIVSA-N 2 0 236.359 1.829 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@H]1CC[NH2+]C12CCC2 ZINC000925663033 646399025 /nfs/dbraw/zinc/39/90/25/646399025.db2.gz OGYOOAJYRZEXFU-OLZOCXBDSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H](C[NH+](C)C)N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925671754 646399619 /nfs/dbraw/zinc/39/96/19/646399619.db2.gz FPNSJTUYWPDHLM-SDDRHHMPSA-N 2 0 227.396 1.432 20 0 BDADRP CCOCC(C)(C)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925669053 646400046 /nfs/dbraw/zinc/40/00/46/646400046.db2.gz OEZXIVJZDQXEGK-LBPRGKRZSA-N 2 0 240.391 1.923 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+][C@@H]2CCCOC2)C1 ZINC000925669214 646400962 /nfs/dbraw/zinc/40/09/62/646400962.db2.gz RARCWEWMCZTOLB-TUAOUCFPSA-N 2 0 226.364 1.661 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925678037 646401980 /nfs/dbraw/zinc/40/19/80/646401980.db2.gz YNMACCAQSUVXRF-GWOFURMSSA-N 2 0 212.337 1.269 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000925671935 646402498 /nfs/dbraw/zinc/40/24/98/646402498.db2.gz FWPMWRIIPZXUKV-SECBINFHSA-N 2 0 218.291 1.762 20 0 BDADRP C[C@@H]([NH2+][C@H]1C[C@@H]2CC[C@@H]([NH2+]2)[C@@H]1C)C1CC1 ZINC000925680113 646402511 /nfs/dbraw/zinc/40/25/11/646402511.db2.gz HTXJJOBSCDUJHF-SNCMFLLNSA-N 2 0 208.349 1.904 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)C(C)(C)O ZINC000925673256 646402806 /nfs/dbraw/zinc/40/28/06/646402806.db2.gz BZVNEPQDVIDTGC-WDEREUQCSA-N 2 0 226.364 1.410 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925678038 646403373 /nfs/dbraw/zinc/40/33/73/646403373.db2.gz YNMACCAQSUVXRF-ZNSHCXBVSA-N 2 0 212.337 1.269 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H](CO)CC2CCC2)C12CCC2 ZINC000925675310 646404753 /nfs/dbraw/zinc/40/47/53/646404753.db2.gz VJXAOQVEBQFMRK-YNEHKIRRSA-N 2 0 238.375 1.397 20 0 BDADRP CCC1(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)COC1 ZINC000925685013 646410666 /nfs/dbraw/zinc/41/06/66/646410666.db2.gz CJKQUPWNDUMIDE-NWDGAFQWSA-N 2 0 240.391 1.909 20 0 BDADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925685461 646413479 /nfs/dbraw/zinc/41/34/79/646413479.db2.gz ITSOARPVCDSJKX-QWHCGFSZSA-N 3 0 239.407 1.448 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H](NC[C@H]2CCCC[NH2+]2)C1 ZINC000925692540 646417977 /nfs/dbraw/zinc/41/79/77/646417977.db2.gz MIGRCXQANPQBIP-JHJVBQTASA-N 2 0 239.407 1.624 20 0 BDADRP CC1(C)C[C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C[C@@H]([NH3+])C1 ZINC000925694162 646419336 /nfs/dbraw/zinc/41/93/36/646419336.db2.gz QYVXLPNCPMGFBR-XQQFMLRXSA-N 3 0 239.407 1.482 20 0 BDADRP CC[NH2+]CCN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925694730 646420403 /nfs/dbraw/zinc/42/04/03/646420403.db2.gz SMDUXPLPQPMGIV-UONOGXRCSA-N 2 0 239.407 1.354 20 0 BDADRP CC1(C)C[C@@H]([NH2+][C@@H]2CCC[C@H]2O)C[C@@H]([NH3+])C1 ZINC000925696839 646421410 /nfs/dbraw/zinc/42/14/10/646421410.db2.gz UUIKXQUKMAGWAQ-WRWGMCAJSA-N 2 0 226.364 1.395 20 0 BDADRP [NH3+][C@H](CN[C@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000925695794 646421468 /nfs/dbraw/zinc/42/14/68/646421468.db2.gz XOSGOILXEBHXFL-KGLIPLIRSA-N 2 0 245.370 1.561 20 0 BDADRP CC[NH2+][C@H](C)CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925697909 646423724 /nfs/dbraw/zinc/42/37/24/646423724.db2.gz BLFZCZVSHGRPNY-NDBYEHHHSA-N 2 0 239.407 1.351 20 0 BDADRP C[C@H]([NH3+])[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000925701407 646425240 /nfs/dbraw/zinc/42/52/40/646425240.db2.gz ZAVJQDJYKLCOOC-MXAVVETBSA-N 2 0 247.386 1.934 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@@H](NC[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000925704993 646429794 /nfs/dbraw/zinc/42/97/94/646429794.db2.gz HFWOCVCOGIRMFC-YFKTTZPYSA-N 2 0 243.370 1.182 20 0 BDADRP C[C@@H]1NCCC[C@@H]1[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000925706670 646430351 /nfs/dbraw/zinc/43/03/51/646430351.db2.gz KGQLQIADNDXELL-AVGNSLFASA-N 2 0 225.380 1.249 20 0 BDADRP CC1(C)C[C@@H]([NH2+][C@@H](CO)C2CCC2)C[C@@H]([NH3+])C1 ZINC000925707140 646430570 /nfs/dbraw/zinc/43/05/70/646430570.db2.gz PEDVBHZSYIHFCU-AGIUHOORSA-N 2 0 240.391 1.643 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CO1 ZINC000925706279 646431088 /nfs/dbraw/zinc/43/10/88/646431088.db2.gz BVYHBTCIRFJHBY-NJMOYASZSA-N 2 0 238.375 1.530 20 0 BDADRP C[C@@H]1NCCC[C@H]1[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000925706672 646431470 /nfs/dbraw/zinc/43/14/70/646431470.db2.gz KGQLQIADNDXELL-RWMBFGLXSA-N 2 0 225.380 1.249 20 0 BDADRP C1[C@H](N[C@H]2CC[NH2+]C23CCCC3)C12CC[NH2+]CC2 ZINC000925709663 646433912 /nfs/dbraw/zinc/43/39/12/646433912.db2.gz PIIILGFYSFSWKI-STQMWFEESA-N 2 0 249.402 1.393 20 0 BDADRP CO[C@@H](C)C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925711572 646437305 /nfs/dbraw/zinc/43/73/05/646437305.db2.gz MXQOPHBVVVXYMH-DCAQKATOSA-N 2 0 214.353 1.517 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@@H]1CC13CC[NH2+]CC3)[NH2+]2 ZINC000925713376 646439417 /nfs/dbraw/zinc/43/94/17/646439417.db2.gz XSXQEUYXQVWSGT-XVIXHAIJSA-N 3 0 249.402 1.247 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925720223 646443796 /nfs/dbraw/zinc/44/37/96/646443796.db2.gz WVESZDSLOLZRCD-NDBYEHHHSA-N 2 0 240.391 1.907 20 0 BDADRP C[C@@H]([NH3+])[C@H](N[C@@H]1CC[NH2+][C@H]1C)c1ccccc1 ZINC000925719837 646443939 /nfs/dbraw/zinc/44/39/39/646443939.db2.gz UWWAEULSSNSIEX-WVWOOGAGSA-N 2 0 233.359 1.415 20 0 BDADRP FC1(F)C[C@@H]1CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925720066 646444341 /nfs/dbraw/zinc/44/43/41/646444341.db2.gz FDOLMKSWGRXABI-UWVGGRQHSA-N 2 0 230.302 1.906 20 0 BDADRP FC1(F)C[C@@H]1CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925720067 646444786 /nfs/dbraw/zinc/44/47/86/646444786.db2.gz FDOLMKSWGRXABI-VHSXEESVSA-N 2 0 230.302 1.906 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000925724867 646450104 /nfs/dbraw/zinc/45/01/04/646450104.db2.gz FFFIBKHPXLISPG-IJLUTSLNSA-N 3 0 225.380 1.234 20 0 BDADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000925726549 646452063 /nfs/dbraw/zinc/45/20/63/646452063.db2.gz JJSBHNJZCZMKCX-PORHBXFCSA-N 3 0 237.391 1.219 20 0 BDADRP CC(C)([NH3+])CCN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925736961 646453481 /nfs/dbraw/zinc/45/34/81/646453481.db2.gz LWUOPWINXIXCQT-WDEREUQCSA-N 2 0 227.396 1.609 20 0 BDADRP COCC1CC([NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925729016 646454160 /nfs/dbraw/zinc/45/41/60/646454160.db2.gz NTJAUXZRLPTSQH-POOIEITISA-N 2 0 240.391 1.907 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1C=CCC1 ZINC000925732116 646456112 /nfs/dbraw/zinc/45/61/12/646456112.db2.gz OJSWWNNOPFBQQM-UPJWGTAASA-N 2 0 208.349 1.930 20 0 BDADRP C[N@@H+]1CC[C@H](NCCC(C)(C)[NH3+])[C@@H]2CCC[C@H]21 ZINC000925738052 646460875 /nfs/dbraw/zinc/46/08/75/646460875.db2.gz MGXQLYKTMJONFF-RWMBFGLXSA-N 2 0 239.407 1.576 20 0 BDADRP CC(C)([NH3+])CC[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000925742504 646463608 /nfs/dbraw/zinc/46/36/08/646463608.db2.gz UXVQYZCRYMPXHO-IJLUTSLNSA-N 2 0 240.391 1.907 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[N@@H+]1CCOc2ccc(N)cc2C1 ZINC000925756738 646463816 /nfs/dbraw/zinc/46/38/16/646463816.db2.gz YIUDRPANBAHXMV-QWRGUYRKSA-N 2 0 249.358 1.589 20 0 BDADRP C[C@@H]([NH2+]CCC(C)(C)[NH3+])c1cccc(CO)c1 ZINC000925742883 646464624 /nfs/dbraw/zinc/46/46/24/646464624.db2.gz YIHQRVQWWSDPHO-LLVKDONJSA-N 2 0 236.359 1.957 20 0 BDADRP COC[C@H]([NH2+]Cc1cc(N)ccn1)C(C)C ZINC000925772484 646472695 /nfs/dbraw/zinc/47/26/95/646472695.db2.gz SIDNGCVEYWDBFS-LBPRGKRZSA-N 2 0 223.320 1.424 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC2(CCC2)CO1 ZINC000925776052 646475494 /nfs/dbraw/zinc/47/54/94/646475494.db2.gz VAHSFNHCXCNDMO-UPJWGTAASA-N 2 0 238.375 1.805 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925781281 646477277 /nfs/dbraw/zinc/47/72/77/646477277.db2.gz WMUHEONMABZYJV-WISYIIOYSA-N 2 0 225.380 1.090 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000925786573 646482938 /nfs/dbraw/zinc/48/29/38/646482938.db2.gz UKGLTJTULISSIH-SCVCMEIPSA-N 2 0 234.347 1.232 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCC12CCOCC2 ZINC000925787177 646483757 /nfs/dbraw/zinc/48/37/57/646483757.db2.gz WUDJVDMNQGLREA-FRRDWIJNSA-N 2 0 238.375 1.391 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cccc(O)c1 ZINC000925788871 646484650 /nfs/dbraw/zinc/48/46/50/646484650.db2.gz CQMLTPXQKUTJJT-MDZLAQPJSA-N 2 0 234.343 1.898 20 0 BDADRP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccccc1 ZINC000925808033 646490102 /nfs/dbraw/zinc/49/01/02/646490102.db2.gz JMUAPXNRCBCXLU-CYBMUJFWSA-N 2 0 247.386 1.760 20 0 BDADRP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000925824195 646496464 /nfs/dbraw/zinc/49/64/64/646496464.db2.gz RBWPFAUPFTXOQU-NJMOYASZSA-N 2 0 208.349 1.763 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)[C@H]1CC[NH2+]C1 ZINC000925829080 646499343 /nfs/dbraw/zinc/49/93/43/646499343.db2.gz AXNSCYACHPYVCV-YHQUGGNUSA-N 2 0 236.359 1.165 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCN1CCc2ccccc21 ZINC000925838552 646504795 /nfs/dbraw/zinc/50/47/95/646504795.db2.gz YQZJARGGZPWRNY-ZIAGYGMSSA-N 2 0 245.370 1.519 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925837167 646505411 /nfs/dbraw/zinc/50/54/11/646505411.db2.gz CDDCGFRMOXMKJC-IGQOVBAYSA-N 2 0 237.391 1.249 20 0 BDADRP C[C@H]1OCC[C@@H]1[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925846081 646510200 /nfs/dbraw/zinc/51/02/00/646510200.db2.gz OCJKJNBOVWUEGU-YVECIDJPSA-N 2 0 224.348 1.286 20 0 BDADRP CC[C@@H](C)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925854074 646511010 /nfs/dbraw/zinc/51/10/10/646511010.db2.gz KFJKLVMHEBSZRX-GHMZBOCLSA-N 2 0 240.347 1.060 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000925860110 646512200 /nfs/dbraw/zinc/51/22/00/646512200.db2.gz VEHHFVHRWXJGQF-FQUUOJAGSA-N 2 0 240.391 1.515 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000925860407 646513197 /nfs/dbraw/zinc/51/31/97/646513197.db2.gz YEZJEQXCEJMKJN-AGIUHOORSA-N 2 0 228.380 1.515 20 0 BDADRP CCOCCOCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000925875631 646525846 /nfs/dbraw/zinc/52/58/46/646525846.db2.gz VNHOYERGVGQCKE-OLZOCXBDSA-N 2 0 244.379 1.147 20 0 BDADRP Cc1ccc(NCC[NH2+][C@H]2CCC[C@H]2C[NH3+])nc1 ZINC000925877047 646527080 /nfs/dbraw/zinc/52/70/80/646527080.db2.gz DNKGVHCNNKYVMA-STQMWFEESA-N 2 0 248.374 1.519 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CCOC1CCOCC1 ZINC000925877080 646528226 /nfs/dbraw/zinc/52/82/26/646528226.db2.gz FFVJDUAFQNJKAN-LBPRGKRZSA-N 2 0 244.379 1.289 20 0 BDADRP C[C@H]([NH2+]C[C@]12C[C@H]1CCC2)[C@@H]1CCC[NH2+]1 ZINC000925879827 646529623 /nfs/dbraw/zinc/52/96/23/646529623.db2.gz DIOVGFOSECAXSX-RNJOBUHISA-N 2 0 208.349 1.907 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC000925880087 646529792 /nfs/dbraw/zinc/52/97/92/646529792.db2.gz NPYUOFVKTRHVAB-VOAKCMCISA-N 3 0 225.380 1.234 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000925883918 646532536 /nfs/dbraw/zinc/53/25/36/646532536.db2.gz YXSOQYNTUHPGEQ-USZNOCQGSA-N 2 0 212.337 1.271 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2([C@@H]3CCCCO3)CC2)C1 ZINC000925894250 646535569 /nfs/dbraw/zinc/53/55/69/646535569.db2.gz VLTGGZXPUXUJSP-UPJWGTAASA-N 2 0 238.375 1.948 20 0 BDADRP COCC1([NH2+][C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000925924386 646542321 /nfs/dbraw/zinc/54/23/21/646542321.db2.gz SYGTZKUIKWLMEP-QWHCGFSZSA-N 2 0 238.375 1.772 20 0 BDADRP C[C@H]1COC[C@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000926488001 646658770 /nfs/dbraw/zinc/65/87/70/646658770.db2.gz QZPUOHIRFAKGIS-UONOGXRCSA-N 2 0 240.391 1.877 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC000723711552 711535371 /nfs/dbraw/zinc/53/53/71/711535371.db2.gz DGHZTOHQOYPSBB-JTQLQIEISA-N 2 0 239.750 1.906 20 0 BDADRP CCc1cnc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)o1 ZINC000723708758 711535834 /nfs/dbraw/zinc/53/58/34/711535834.db2.gz HYMVWGOZLCXORI-SNVBAGLBSA-N 2 0 223.320 1.408 20 0 BDADRP Cc1ccc(C[NH2+]CCC(C)(C)[NH3+])cn1 ZINC000308992436 711659841 /nfs/dbraw/zinc/65/98/41/711659841.db2.gz WHYFDIIRRRHRQI-UHFFFAOYSA-N 2 0 207.321 1.607 20 0 BDADRP CC[C@@H](Cn1cncn1)[NH2+]CCCCCC[NH3+] ZINC000843340787 711762379 /nfs/dbraw/zinc/76/23/79/711762379.db2.gz FDRLOLICZNJPFH-LBPRGKRZSA-N 2 0 239.367 1.165 20 0 BDADRP C[C@@H]1COCC[C@H]1C[NH2+]CC1CC[NH+](C)CC1 ZINC000894420287 711771431 /nfs/dbraw/zinc/77/14/31/711771431.db2.gz QENSAKPPACRZOP-OCCSQVGLSA-N 2 0 240.391 1.590 20 0 BDADRP C[C@H](C[C@H]1CCOC1)[NH2+]CC[C@H](C)[NH+](C)C ZINC000700602480 711849125 /nfs/dbraw/zinc/84/91/25/711849125.db2.gz BJQNMGNIWMTQSW-FRRDWIJNSA-N 2 0 228.380 1.731 20 0 BDADRP CC(C)[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCS1 ZINC000707286410 712168638 /nfs/dbraw/zinc/16/86/38/712168638.db2.gz XTKPTIFXKUQJNM-TUAOUCFPSA-N 2 0 228.405 1.797 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000708678838 712196350 /nfs/dbraw/zinc/19/63/50/712196350.db2.gz CCAYYUCLEXBHLB-WRWGMCAJSA-N 2 0 224.348 1.271 20 0 BDADRP c1cc(CN2CC[C@@]3(C2)CCC[NH2+]C3)sn1 ZINC000709902481 712232320 /nfs/dbraw/zinc/23/23/20/712232320.db2.gz CSFOIKQKQSHOLR-LBPRGKRZSA-N 2 0 237.372 1.719 20 0 BDADRP CCn1nccc1C[N@H+](C)CCCCCC[NH3+] ZINC000710713396 712255002 /nfs/dbraw/zinc/25/50/02/712255002.db2.gz ICLCAAYEXAVCIB-UHFFFAOYSA-N 2 0 238.379 1.854 20 0 BDADRP COc1cc(C[N@H+](C)CCCCCC[NH3+])on1 ZINC000710766135 712256039 /nfs/dbraw/zinc/25/60/39/712256039.db2.gz OPEUVWMZMWRXGI-UHFFFAOYSA-N 2 0 241.335 1.634 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)CN1CCC[C@H](CF)C1 ZINC000711450108 712301568 /nfs/dbraw/zinc/30/15/68/712301568.db2.gz JHDJBKCOICVKPZ-CHWSQXEVSA-N 2 0 246.370 1.369 20 0 BDADRP C[C@@]1(C[N@@H+]2CCC[C@@H](CF)C2)CC[NH2+]C1 ZINC000711454820 712303708 /nfs/dbraw/zinc/30/37/08/712303708.db2.gz NKDZCOTZKJSTFP-NWDGAFQWSA-N 2 0 214.328 1.668 20 0 BDADRP CC(C)([NH3+])CC[NH2+]CC[C@H]1CCOC1 ZINC000379522990 712387026 /nfs/dbraw/zinc/38/70/26/712387026.db2.gz DQMLOMMTEQPHDG-JTQLQIEISA-N 2 0 200.326 1.130 20 0 BDADRP CC1(C)[C@@H]2C[N@@H+](C[C@]3(C)CCC[NH2+]C3)C[C@@H]21 ZINC000379573492 712388680 /nfs/dbraw/zinc/38/86/80/712388680.db2.gz XMTQYMOACNXMTB-MBNYWOFBSA-N 2 0 222.376 1.964 20 0 BDADRP CC1(C)[C@@H]2C[N@@H+](C[C@@]3(C)CCC[NH2+]C3)C[C@@H]21 ZINC000379573494 712388826 /nfs/dbraw/zinc/38/88/26/712388826.db2.gz XMTQYMOACNXMTB-SCRDCRAPSA-N 2 0 222.376 1.964 20 0 BDADRP FC(F)(F)OCCCN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000713399377 712459171 /nfs/dbraw/zinc/45/91/71/712459171.db2.gz YGRFLVHOPHBGCT-RKDXNWHRSA-N 2 0 238.253 1.064 20 0 BDADRP C=C/C=C\CC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000713644867 712468080 /nfs/dbraw/zinc/46/80/80/712468080.db2.gz LXBWSEICJVGHJQ-WAYWQWQTSA-N 2 0 238.375 1.507 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000714612402 712488306 /nfs/dbraw/zinc/48/83/06/712488306.db2.gz GFTYIFYIAVYXDS-DDHJBXDOSA-N 2 0 212.337 1.142 20 0 BDADRP CC[C@H](C[C@@H](C)O)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000716854742 712578944 /nfs/dbraw/zinc/57/89/44/712578944.db2.gz UHPPNINDEMFVHI-CHWSQXEVSA-N 2 0 242.407 1.998 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)[C@H]1CCOC1 ZINC000717324197 712648938 /nfs/dbraw/zinc/64/89/38/712648938.db2.gz VXKIYUFRMLNRIK-DCAQKATOSA-N 2 0 248.317 1.246 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CC(C)(C)CO1)C1C[NH2+]C1 ZINC000717356902 712650499 /nfs/dbraw/zinc/65/04/99/712650499.db2.gz BCQUPTVHXZQQID-JQWIXIFHSA-N 2 0 226.364 1.389 20 0 BDADRP C([NH2+][C@@H]1CCSC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037485333 712650818 /nfs/dbraw/zinc/65/08/18/712650818.db2.gz MSGUKHMEJOKCJG-GHMZBOCLSA-N 2 0 226.389 1.566 20 0 BDADRP C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C[C@@H]1CCC[NH+](C)C1 ZINC000717947232 712734855 /nfs/dbraw/zinc/73/48/55/712734855.db2.gz VKLIOAAUONOGDP-MCIONIFRSA-N 2 0 239.407 1.387 20 0 BDADRP O[C@H](C[NH2+]C1CCC=CCC1)C[NH+]1CCCC1 ZINC000718065511 712740188 /nfs/dbraw/zinc/74/01/88/712740188.db2.gz AUPHCTBMNOHLLR-CQSZACIVSA-N 2 0 238.375 1.532 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000719784604 712824754 /nfs/dbraw/zinc/82/47/54/712824754.db2.gz YEFMIQMVZKJQRC-VXGBXAGGSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CC[C@H]1C)N1CC[NH+](C)CC1 ZINC000381464478 710639938 /nfs/dbraw/zinc/63/99/38/710639938.db2.gz KUPIIIPJXOBDMZ-JHJVBQTASA-N 2 0 225.380 1.010 20 0 BDADRP COC[C@H](C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1)C(C)C ZINC000721767209 710685960 /nfs/dbraw/zinc/68/59/60/710685960.db2.gz FKGQIYREGLFNSS-MJBXVCDLSA-N 2 0 242.407 1.822 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@H+](C[C@H](COC)C(C)C)C1 ZINC000721963008 710694403 /nfs/dbraw/zinc/69/44/03/710694403.db2.gz QROWBGUKUISCNM-ZIAGYGMSSA-N 2 0 242.407 1.836 20 0 BDADRP [NH3+]CCC[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000723630070 710729921 /nfs/dbraw/zinc/72/99/21/710729921.db2.gz VSRLDGUYJWPNQZ-IJLUTSLNSA-N 2 0 212.337 1.130 20 0 BDADRP C[N@H+](CCCCCC[NH3+])CCO[C@@H]1CCOC1 ZINC000724936947 710750201 /nfs/dbraw/zinc/75/02/01/710750201.db2.gz OTNZUVGDQPQMPV-CYBMUJFWSA-N 2 0 244.379 1.243 20 0 BDADRP C[N@H+](CCCCCC[NH3+])CCO[C@H]1CCOC1 ZINC000724936950 710750563 /nfs/dbraw/zinc/75/05/63/710750563.db2.gz OTNZUVGDQPQMPV-ZDUSSCGKSA-N 2 0 244.379 1.243 20 0 BDADRP C[C@@H]([NH2+]CCC(C)(C)[NH3+])c1cnn(C)c1 ZINC000393806427 710758091 /nfs/dbraw/zinc/75/80/91/710758091.db2.gz XMMANNLCNDOGHZ-SECBINFHSA-N 2 0 210.325 1.198 20 0 BDADRP CC(C)n1nccc1C[NH2+]C1CCC([NH3+])CC1 ZINC000394601408 710896393 /nfs/dbraw/zinc/89/63/93/710896393.db2.gz KUKRYKUIIZLHFG-UHFFFAOYSA-N 2 0 236.363 1.824 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H](CO)Cc1ccccc1 ZINC000396715160 710906585 /nfs/dbraw/zinc/90/65/85/710906585.db2.gz SQJYIWCODCKEKO-CFVMTHIKSA-N 2 0 248.370 1.320 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@H](CO)Cc1ccccc1 ZINC000396715164 710907059 /nfs/dbraw/zinc/90/70/59/710907059.db2.gz SQJYIWCODCKEKO-QEJZJMRPSA-N 2 0 248.370 1.320 20 0 BDADRP C[C@H]1[NH2+]CCC[C@@H]1N[C@@H](CO)Cc1ccccc1 ZINC000396715171 710907302 /nfs/dbraw/zinc/90/73/02/710907302.db2.gz SQJYIWCODCKEKO-YUELXQCFSA-N 2 0 248.370 1.320 20 0 BDADRP CC(C)CCOCC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000383812135 710946087 /nfs/dbraw/zinc/94/60/87/710946087.db2.gz VOXZJQKCLOMMIZ-UONOGXRCSA-N 2 0 240.391 1.590 20 0 BDADRP CCCCOCC[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000133090574 710968326 /nfs/dbraw/zinc/96/83/26/710968326.db2.gz RQFPVWYABRARRT-CHWSQXEVSA-N 2 0 228.380 1.720 20 0 BDADRP CCC1([NH2+]C[C@H](O)C[NH+]2CCCC2)CCCC1 ZINC000382593791 710973609 /nfs/dbraw/zinc/97/36/09/710973609.db2.gz FNGQMQUJFWPWLS-ZDUSSCGKSA-N 2 0 240.391 1.756 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](CC3(O)CCCC3)C[C@@H]2C1 ZINC000383958314 710986507 /nfs/dbraw/zinc/98/65/07/710986507.db2.gz XBUPFLGPWMLORG-OLZOCXBDSA-N 2 0 238.375 1.175 20 0 BDADRP COC[C@H]([NH2+]CCC(C)(C)[NH3+])C(C)C ZINC000389267200 711074560 /nfs/dbraw/zinc/07/45/60/711074560.db2.gz JZLPFEFQLJVPIU-JTQLQIEISA-N 2 0 202.342 1.374 20 0 BDADRP CC1(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CCCC1 ZINC000389606507 711083024 /nfs/dbraw/zinc/08/30/24/711083024.db2.gz YPRLNPWVBDGURX-VXGBXAGGSA-N 2 0 208.349 1.718 20 0 BDADRP C[C@@H]1C[NH+](C[C@@H](O)C[NH+]2CCCC2)C[C@H]1C ZINC000389732292 711087580 /nfs/dbraw/zinc/08/75/80/711087580.db2.gz QUSCOKJRVUVECG-UPJWGTAASA-N 2 0 226.364 1.031 20 0 BDADRP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)C[NH+](C)C ZINC000389730471 711088131 /nfs/dbraw/zinc/08/81/31/711088131.db2.gz SEWKETZUJIFMSK-SDDRHHMPSA-N 2 0 214.353 1.341 20 0 BDADRP C[NH+]1CCC(C[NH2+]C2CC(C(F)F)C2)CC1 ZINC000390463693 711119332 /nfs/dbraw/zinc/11/93/32/711119332.db2.gz GXFJCFIMTYXEPR-UHFFFAOYSA-N 2 0 232.318 1.962 20 0 BDADRP CC1([NH3+])CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000390512803 711122366 /nfs/dbraw/zinc/12/23/66/711122366.db2.gz CETRCMXIDBDSOP-LLVKDONJSA-N 2 0 212.337 1.226 20 0 BDADRP CCCCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000392881389 711153896 /nfs/dbraw/zinc/15/38/96/711153896.db2.gz IPVYYIFEBVNECS-NWBUJAPZSA-N 2 0 208.349 1.763 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@H](CO)C(C)(C)C)CC1 ZINC000393986659 711181964 /nfs/dbraw/zinc/18/19/64/711181964.db2.gz MENRRZHTFMXJSV-LBPRGKRZSA-N 2 0 228.380 1.325 20 0 BDADRP C[C@@H](CCCO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000395075111 711200757 /nfs/dbraw/zinc/20/07/57/711200757.db2.gz ZYVVARPCNANONR-FUDCBSFHSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@H]1[NH2+]CCC[C@H]1NCc1ccc2c(c1)OCO2 ZINC000396631168 711361434 /nfs/dbraw/zinc/36/14/34/711361434.db2.gz JGCDFHVDQXSRKQ-ZYHUDNBSSA-N 2 0 248.326 1.645 20 0 BDADRP C[C@H](CN[C@@H]1CCC[NH2+][C@H]1C)[NH+]1CCCCC1 ZINC000396570254 711354393 /nfs/dbraw/zinc/35/43/93/711354393.db2.gz AJTXQOYHCNFBJT-HZSPNIEDSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+]C[C@]2(C)CCC[NH2+]C2)O1 ZINC000398133832 711402478 /nfs/dbraw/zinc/40/24/78/711402478.db2.gz WSHGMDFUJKYXQB-JHJVBQTASA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H](O)C[C@H](C)C[NH2+]CC1CC[NH+](C)CC1 ZINC000398699965 711414729 /nfs/dbraw/zinc/41/47/29/711414729.db2.gz VXNNHUPZKLJHCI-NWDGAFQWSA-N 2 0 228.380 1.325 20 0 BDADRP CCC[N@H+](C[C@@H](O)CN1CCCC1)C1CC1 ZINC000381266953 710614882 /nfs/dbraw/zinc/61/48/82/710614882.db2.gz ULGUJOBONNWZCP-ZDUSSCGKSA-N 2 0 226.364 1.318 20 0 BDADRP COC[C@H](C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1)C(C)C ZINC000721963722 710693702 /nfs/dbraw/zinc/69/37/02/710693702.db2.gz LDXYPUIHVWRJTG-MCIONIFRSA-N 2 0 242.407 1.822 20 0 BDADRP C[C@H]1C[C@H]([NH2+]Cc2cc[nH]c(=O)c2)CC[N@@H+]1C ZINC000392645020 711150638 /nfs/dbraw/zinc/15/06/38/711150638.db2.gz RADFWXWGXKPCIK-CMPLNLGQSA-N 2 0 235.331 1.360 20 0 BDADRP C[N@H+](CCC(C)(C)C)C[C@@H](O)C[NH+]1CCCC1 ZINC000399660872 711433685 /nfs/dbraw/zinc/43/36/85/711433685.db2.gz GUCBZXWIUHCRPW-CYBMUJFWSA-N 2 0 242.407 1.811 20 0 BDADRP C[N@H+](CCC[NH3+])C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000721439877 711476447 /nfs/dbraw/zinc/47/64/47/711476447.db2.gz ZZBBAYYRZKJBDN-IUCAKERBSA-N 2 0 240.269 1.377 20 0 BDADRP CC[C@@H]1C[C@H]1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000723049642 711497709 /nfs/dbraw/zinc/49/77/09/711497709.db2.gz AKOYRRDJWWQZCB-MROQNXINSA-N 2 0 208.349 1.574 20 0 BDADRP COC[C@@H](C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1)C(C)C ZINC000723452934 711500412 /nfs/dbraw/zinc/50/04/12/711500412.db2.gz AZZFHHYXGUPTRB-IJLUTSLNSA-N 2 0 214.353 1.184 20 0 BDADRP CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000723122567 711505890 /nfs/dbraw/zinc/50/58/90/711505890.db2.gz QSQFDQZFABLETF-RNJOBUHISA-N 2 0 210.365 1.949 20 0 BDADRP CC(C)([NH3+])C[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000723630064 711527210 /nfs/dbraw/zinc/52/72/10/711527210.db2.gz VOZWIIJHDURITF-SDDRHHMPSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000723648948 711530722 /nfs/dbraw/zinc/53/07/22/711530722.db2.gz XJLDUKOOEJTXHC-ZOBORPQBSA-N 2 0 240.391 1.909 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2nccn2C2CC2)C1 ZINC000723683043 711533998 /nfs/dbraw/zinc/53/39/98/711533998.db2.gz NWHFEBMUJBIUPV-LLVKDONJSA-N 2 0 234.347 1.389 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cscn2)C1 ZINC000723691534 711534192 /nfs/dbraw/zinc/53/41/92/711534192.db2.gz PPNUFGQGWZQSGN-SECBINFHSA-N 2 0 211.334 1.314 20 0 BDADRP CC(C)c1cnc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)o1 ZINC000723709464 711535439 /nfs/dbraw/zinc/53/54/39/711535439.db2.gz PFZOTBNSJBTUDY-LLVKDONJSA-N 2 0 237.347 1.969 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC000723701823 711535872 /nfs/dbraw/zinc/53/58/72/711535872.db2.gz RQCWASRWUXSKQO-GXTWGEPZSA-N 2 0 234.343 1.391 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1CC[NH3+] ZINC000723901137 711544410 /nfs/dbraw/zinc/54/44/10/711544410.db2.gz OCUXUTCFARHFIN-FRRDWIJNSA-N 2 0 226.364 1.330 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cscn2)C[C@H]1CC[NH3+] ZINC000723908752 711545104 /nfs/dbraw/zinc/54/51/04/711545104.db2.gz JWBVFFZYFKBNTG-NXEZZACHSA-N 2 0 225.361 1.560 20 0 BDADRP COC[C@@H](C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1)C(C)C ZINC000723923731 711545493 /nfs/dbraw/zinc/54/54/93/711545493.db2.gz WYIAYMUQIUBPIZ-MGPQQGTHSA-N 2 0 242.407 1.822 20 0 BDADRP CC[C@@H]([NH2+]CCC[NH+](C)C)[C@@H]1CCCOC1 ZINC000723974355 711549935 /nfs/dbraw/zinc/54/99/35/711549935.db2.gz KQEGTPLVMBAVNY-CHWSQXEVSA-N 2 0 228.380 1.733 20 0 BDADRP CO[C@H]1CC[C@H]1[N@H+](C)CCCC1CC[NH2+]CC1 ZINC000724155361 711565074 /nfs/dbraw/zinc/56/50/74/711565074.db2.gz LRQUREOSVXRWOZ-KGLIPLIRSA-N 2 0 240.391 1.875 20 0 BDADRP O[C@H](C[NH2+]CCC1CC=CC1)C[NH+]1CCCC1 ZINC000724199899 711569001 /nfs/dbraw/zinc/56/90/01/711569001.db2.gz SXAVLSOSZAGPAT-CQSZACIVSA-N 2 0 238.375 1.389 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000396719565 711703312 /nfs/dbraw/zinc/70/33/12/711703312.db2.gz SNQFEDPXCXLXAJ-FRRDWIJNSA-N 2 0 225.380 1.201 20 0 BDADRP CC[C@H]([NH3+])CN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925711842 711711400 /nfs/dbraw/zinc/71/14/00/711711400.db2.gz SQPMYGGTJPAABH-AXFHLTTASA-N 2 0 213.369 1.219 20 0 BDADRP C(CN1CC[C@]2(CCC[NH2+]2)C1)[C@H]1CCC[NH2+]C1 ZINC000334979371 711719748 /nfs/dbraw/zinc/71/97/48/711719748.db2.gz FNXRTTZAJHCAHC-ZIAGYGMSSA-N 2 0 237.391 1.204 20 0 BDADRP C(C1CCOCC1)[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000257662727 711724384 /nfs/dbraw/zinc/72/43/84/711724384.db2.gz GOSROZPGPHUJFD-CQSZACIVSA-N 2 0 238.375 1.631 20 0 BDADRP CC(C)[NH+]1CCC(N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000093210633 711726699 /nfs/dbraw/zinc/72/66/99/711726699.db2.gz KVJMXZGTHHPYBR-GXTWGEPZSA-N 2 0 239.407 1.719 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000925830973 711759528 /nfs/dbraw/zinc/75/95/28/711759528.db2.gz HMUYAQIOYKEIDQ-RYPBNFRJSA-N 2 0 224.270 1.900 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CNc1cc(C)[nH+]c(N)n1 ZINC000038764565 711762207 /nfs/dbraw/zinc/76/22/07/711762207.db2.gz YZAUNOQEFWSPSK-SNVBAGLBSA-N 2 0 235.335 1.263 20 0 BDADRP [NH3+]CCCCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000843340778 711762402 /nfs/dbraw/zinc/76/24/02/711762402.db2.gz DZZXIYXCGGLFDV-ZIAGYGMSSA-N 3 0 239.407 1.722 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](C(C)(C)O)C1 ZINC000721797587 711769818 /nfs/dbraw/zinc/76/98/18/711769818.db2.gz GVVCQBNBCMUTTN-QWHCGFSZSA-N 2 0 240.391 1.564 20 0 BDADRP C[N@@H+]1CC[C@H]2C[NH+](CC3(O)CCCC3)CC[C@@H]21 ZINC000879573344 711769904 /nfs/dbraw/zinc/76/99/04/711769904.db2.gz NSZRPQUCIBEIKW-STQMWFEESA-N 2 0 238.375 1.318 20 0 BDADRP CC(C)(CO)CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401060713 711793495 /nfs/dbraw/zinc/79/34/95/711793495.db2.gz GESBMYDCPZEGMK-RWMBFGLXSA-N 2 0 240.391 1.373 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@H]2C[C@@H](OC)C2)C1 ZINC000721929065 711937813 /nfs/dbraw/zinc/93/78/13/711937813.db2.gz WTLMJUDEUHDGMF-RWMBFGLXSA-N 2 0 226.364 1.343 20 0 BDADRP C[C@@H](CC[NH2+][C@H]1CSC[C@H]1C)[NH+](C)C ZINC000700489736 711994430 /nfs/dbraw/zinc/99/44/30/711994430.db2.gz UAXUQIVSNMVJJA-VWYCJHECSA-N 2 0 216.394 1.668 20 0 BDADRP C[C@@H]1[C@@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)CO[C@H]1C ZINC000700791426 712004859 /nfs/dbraw/zinc/00/48/59/712004859.db2.gz KDHXTAOFFCFRCM-XUXIUFHCSA-N 2 0 240.391 1.731 20 0 BDADRP CCO[C@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000701779452 712028833 /nfs/dbraw/zinc/02/88/33/712028833.db2.gz AQNVNBHBJSZFGW-NWDGAFQWSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCc1ccccc1)C2 ZINC000702069837 712037387 /nfs/dbraw/zinc/03/73/87/712037387.db2.gz SMQABWUAFYMDQO-LSDHHAIUSA-N 2 0 230.355 1.770 20 0 BDADRP Cc1nccn1CCC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702075835 712038106 /nfs/dbraw/zinc/03/81/06/712038106.db2.gz DZYUCXIISSLCHE-UONOGXRCSA-N 2 0 248.374 1.123 20 0 BDADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)C1(Cl)CC1 ZINC000702264793 712043252 /nfs/dbraw/zinc/04/32/52/712043252.db2.gz WCURNUOVTFRIPO-SNVBAGLBSA-N 2 0 246.782 1.193 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCCC[C@H](C)C1 ZINC000703287642 712070663 /nfs/dbraw/zinc/07/06/63/712070663.db2.gz ZRTUKDOSEOEEHF-XQQFMLRXSA-N 2 0 210.365 1.964 20 0 BDADRP CC1(O)CCC([NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000703606821 712080700 /nfs/dbraw/zinc/08/07/00/712080700.db2.gz ZQVADKHESZDNNF-RJZJGCCBSA-N 2 0 240.391 1.787 20 0 BDADRP C[C@@H]1CO[C@@H](C)C[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000703816756 712089376 /nfs/dbraw/zinc/08/93/76/712089376.db2.gz NDNJRTUNWIJRLE-YJBUHQLJSA-N 2 0 238.375 1.626 20 0 BDADRP COC1CC(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)C1 ZINC000703844843 712090738 /nfs/dbraw/zinc/09/07/38/712090738.db2.gz DCRXZPULRQKHLJ-ZYGVAYEYSA-N 2 0 212.337 1.081 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CCSC1)[C@@H]1CCC[NH2+]1 ZINC000704776208 712116523 /nfs/dbraw/zinc/11/65/23/712116523.db2.gz OEPWEZRZIDGXDS-TUAOUCFPSA-N 2 0 228.405 1.860 20 0 BDADRP C([C@@H]1C[C@H]2C[C@H]2C1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000704939475 712120084 /nfs/dbraw/zinc/12/00/84/712120084.db2.gz GXPKTWOPXMPXLC-LBELIVKGSA-N 2 0 206.333 1.326 20 0 BDADRP CN(C[C@@H]1CCC[N@H+](C)C1)c1cc[nH+]cc1CO ZINC000705128919 712122415 /nfs/dbraw/zinc/12/24/15/712122415.db2.gz OSLVTZBSVMLHPT-GFCCVEGCSA-N 2 0 249.358 1.352 20 0 BDADRP Cc1ncccc1C[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000705529893 712132674 /nfs/dbraw/zinc/13/26/74/712132674.db2.gz IDGVKJPBMPKJBG-NSHDSACASA-N 2 0 233.359 1.868 20 0 BDADRP Cc1ncccc1C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000705531726 712132894 /nfs/dbraw/zinc/13/28/94/712132894.db2.gz ZZYSOZOKUOASNU-STQMWFEESA-N 2 0 231.343 1.750 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C1CCC(C)(O)CC1 ZINC000705830796 712136614 /nfs/dbraw/zinc/13/66/14/712136614.db2.gz NETDNZLCNAOYQR-HIFPTAJRSA-N 2 0 228.380 1.787 20 0 BDADRP CSC1CC([NH2+]C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000706896425 712159375 /nfs/dbraw/zinc/15/93/75/712159375.db2.gz FLBQUHUESJNBOP-UNXYVOJBSA-N 2 0 228.405 1.812 20 0 BDADRP CSC1CC([NH2+]C[C@H]2CCC[N@H+](C)C2)C1 ZINC000706896436 712159384 /nfs/dbraw/zinc/15/93/84/712159384.db2.gz FLBQUHUESJNBOP-VOMCLLRMSA-N 2 0 228.405 1.812 20 0 BDADRP CC(C)[C@H]1C[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)CCS1 ZINC000707208946 712165905 /nfs/dbraw/zinc/16/59/05/712165905.db2.gz QZJBJUJMUNHTTJ-FRRDWIJNSA-N 2 0 242.432 1.915 20 0 BDADRP C[C@@]1(C[N@@H+]2CC[C@@]3(CCOC3)C2)CCC[NH2+]C1 ZINC000707211448 712167167 /nfs/dbraw/zinc/16/71/67/712167167.db2.gz BFNTYUCBULXXIG-ZIAGYGMSSA-N 2 0 238.375 1.489 20 0 BDADRP C[N@H+](CCn1cccn1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000707371090 712170325 /nfs/dbraw/zinc/17/03/25/712170325.db2.gz IRYWVOCXLWXHLM-AGUYFDCRSA-N 2 0 248.374 1.346 20 0 BDADRP CCOC[C@@H]1CC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000707599428 712176046 /nfs/dbraw/zinc/17/60/46/712176046.db2.gz RCKMJVAUPGQFPZ-GFCCVEGCSA-N 2 0 226.364 1.487 20 0 BDADRP C[NH+]1CCC(C[NH2+]C[C@H]2CC(C)(C)CO2)CC1 ZINC000708332918 712188282 /nfs/dbraw/zinc/18/82/82/712188282.db2.gz MLBNODQQHXVDTM-CYBMUJFWSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)CC[C@@H]1C[NH3+] ZINC000708352846 712190212 /nfs/dbraw/zinc/19/02/12/712190212.db2.gz DKODLEKSQVYTJW-JHJVBQTASA-N 2 0 240.391 1.718 20 0 BDADRP [NH3+][C@@H]1CCCCCN(C[C@@H](O)c2ccccc2)C1 ZINC000708998153 712204968 /nfs/dbraw/zinc/20/49/68/712204968.db2.gz LMIMTCGQOFSZJM-HUUCEWRRSA-N 2 0 248.370 1.923 20 0 BDADRP C[C@H](O)C[N@H+](CC1CC[NH+](C)CC1)C1CC1 ZINC000709403179 712220802 /nfs/dbraw/zinc/22/08/02/712220802.db2.gz UIMPXAKPEWNJSX-NSHDSACASA-N 2 0 226.364 1.173 20 0 BDADRP CC(C)C[N@H+](CCC[NH3+])CC1CC[NH+](C)CC1 ZINC000709470491 712222386 /nfs/dbraw/zinc/22/23/86/712222386.db2.gz MZFRPHGNUYEXTJ-UHFFFAOYSA-N 3 0 241.423 1.635 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccns1 ZINC000709824816 712228795 /nfs/dbraw/zinc/22/87/95/712228795.db2.gz JBPGDLPIQFNBCI-JQWIXIFHSA-N 2 0 239.388 1.793 20 0 BDADRP Cc1cnc(CN2CC[C@@]3(C2)CCC[NH2+]C3)cn1 ZINC000709902802 712232064 /nfs/dbraw/zinc/23/20/64/712232064.db2.gz DRNGZNYQRBADKB-AWEZNQCLSA-N 2 0 246.358 1.361 20 0 BDADRP CCC[N@@H+]1CC[C@@H](CNc2cc(C)[nH+]c(N)n2)C1 ZINC000710337088 712252216 /nfs/dbraw/zinc/25/22/16/712252216.db2.gz MXEYSMAZWHHERY-NSHDSACASA-N 2 0 249.362 1.511 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCC(C)(C)CO1)C1C[NH2+]C1 ZINC000711241543 712291126 /nfs/dbraw/zinc/29/11/26/712291126.db2.gz XHCWLYYGPIALQM-ZYHUDNBSSA-N 2 0 226.364 1.389 20 0 BDADRP FC[C@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000711417788 712299252 /nfs/dbraw/zinc/29/92/52/712299252.db2.gz UCOKXKJHDHMZPS-WDEREUQCSA-N 2 0 200.301 1.277 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000711428558 712299258 /nfs/dbraw/zinc/29/92/58/712299258.db2.gz ZLWMXYMFTRZHHW-TUAOUCFPSA-N 2 0 238.375 1.804 20 0 BDADRP C1=C[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000711731106 712319892 /nfs/dbraw/zinc/31/98/92/712319892.db2.gz LPQYYIFRGNSDTG-FKJOKYEKSA-N 2 0 206.333 1.825 20 0 BDADRP C[C@H]1CN[C@@H](C)[C@H](C)[N@H+]1CCCCCC[NH3+] ZINC000923434913 712322045 /nfs/dbraw/zinc/32/20/45/712322045.db2.gz CJIAHTVVLPEDHP-AVGNSLFASA-N 2 0 227.396 1.576 20 0 BDADRP CC(C)CC[C@@H](O)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923480143 712334183 /nfs/dbraw/zinc/33/41/83/712334183.db2.gz VWCMDEKYEYYJNW-QWHCGFSZSA-N 2 0 228.380 1.454 20 0 BDADRP C[NH+](C)CCC[NH2+][C@H](C1CCC1)[C@@H]1CCOC1 ZINC000711844087 712335278 /nfs/dbraw/zinc/33/52/78/712335278.db2.gz XJMWXVAEFCECBR-ZIAGYGMSSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@]1(C[NH3+])CC[N@H+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000712437759 712429636 /nfs/dbraw/zinc/42/96/36/712429636.db2.gz KMTXIOMAPWBPQT-STQMWFEESA-N 2 0 238.375 1.759 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000712438265 712429756 /nfs/dbraw/zinc/42/97/56/712429756.db2.gz NURBPEZGRWNXPL-QWHCGFSZSA-N 2 0 238.375 1.759 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@@H]2CCCC[C@H]12)C1C[NH2+]C1 ZINC000712466079 712430469 /nfs/dbraw/zinc/43/04/69/712430469.db2.gz UNWWHEFJIYQSMN-XRRVDJEJSA-N 2 0 208.349 1.763 20 0 BDADRP CC(C)OCCC[N@@H+]1CC[NH2+]CCC1(C)C ZINC000712507463 712432156 /nfs/dbraw/zinc/43/21/56/712432156.db2.gz RVWOPBPAISOFKJ-UHFFFAOYSA-N 2 0 228.380 1.875 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1C[C@H]1C1CC1)C1C[NH2+]C1 ZINC000712646295 712439517 /nfs/dbraw/zinc/43/95/17/712439517.db2.gz CLVZLMORJOJQIC-NDMJEZRESA-N 2 0 208.349 1.620 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]C[C@H]2CCN2C)CC1 ZINC000712555254 712445411 /nfs/dbraw/zinc/44/54/11/712445411.db2.gz FLNNROMUGQBREA-CYBMUJFWSA-N 2 0 225.380 1.153 20 0 BDADRP C[NH2+]CCCN(C)C(=O)C(C)(C)[C@H]([NH3+])C(C)C ZINC000713009518 712451072 /nfs/dbraw/zinc/45/10/72/712451072.db2.gz QCQIJNGNBFJDAP-LLVKDONJSA-N 2 0 243.395 1.064 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C1 ZINC000713093476 712452245 /nfs/dbraw/zinc/45/22/45/712452245.db2.gz TYBOKGCPORMSBF-OBPIAQAESA-N 2 0 236.359 1.271 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2CC[NH2+]CCC23CCC3)O1 ZINC000713209539 712455114 /nfs/dbraw/zinc/45/51/14/712455114.db2.gz CIKWYQYNKAOPDM-CHWSQXEVSA-N 2 0 238.375 1.772 20 0 BDADRP C=C/C=C/CC[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000713642429 712467775 /nfs/dbraw/zinc/46/77/75/712467775.db2.gz LIXANZWHHYXCFF-QITAHTHBSA-N 2 0 206.333 1.660 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000714602422 712488100 /nfs/dbraw/zinc/48/81/00/712488100.db2.gz CCAYYUCLEXBHLB-DDHJBXDOSA-N 2 0 224.348 1.271 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000714612407 712488408 /nfs/dbraw/zinc/48/84/08/712488408.db2.gz GFTYIFYIAVYXDS-KKOKHZNYSA-N 2 0 212.337 1.142 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000714700810 712495627 /nfs/dbraw/zinc/49/56/27/712495627.db2.gz PXRYQQCFCFMZGX-LPWJVIDDSA-N 2 0 226.364 1.519 20 0 BDADRP [NH3+]CC1(O)CC[NH+](CC[C@@H]2C[C@H]2C2CC2)CC1 ZINC000714813288 712498366 /nfs/dbraw/zinc/49/83/66/712498366.db2.gz UBUOHWXXNFZQQC-OLZOCXBDSA-N 2 0 238.375 1.208 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)CC[C@@H]1C[C@H]1C1CC1 ZINC000714831869 712500883 /nfs/dbraw/zinc/50/08/83/712500883.db2.gz PFOYYWXRQLVVDB-KGLIPLIRSA-N 2 0 240.391 1.590 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc[nH]c2=O)C12CCC2 ZINC000714967488 712503170 /nfs/dbraw/zinc/50/31/70/712503170.db2.gz SKBRKGLGIDQOMC-QWRGUYRKSA-N 2 0 233.315 1.147 20 0 BDADRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000715203544 712513641 /nfs/dbraw/zinc/51/36/41/712513641.db2.gz DXJRFMCURKLRJZ-STQMWFEESA-N 2 0 249.358 1.750 20 0 BDADRP C[NH+](C)C1(C)CCC([NH2+]C[C@@H](O)C2CC2)CC1 ZINC000715252978 712514463 /nfs/dbraw/zinc/51/44/63/712514463.db2.gz HUQZCVPBNMVBJM-ROKHWSDSSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CC13CC3)[NH2+]2 ZINC000715261517 712514774 /nfs/dbraw/zinc/51/47/74/712514774.db2.gz NSZOAQMJSOMFEC-LVEVGFFFSA-N 2 0 206.333 1.658 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)C2CC2)C1 ZINC000715291462 712515848 /nfs/dbraw/zinc/51/58/48/712515848.db2.gz IJTUSWLADMRTCI-JHJVBQTASA-N 2 0 226.364 1.220 20 0 BDADRP C[C@@H]1[C@@H]([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)CO[C@H]1C ZINC000715545838 712527121 /nfs/dbraw/zinc/52/71/21/712527121.db2.gz ZBUPGNDBBNZMEQ-HPCHECBXSA-N 2 0 240.391 1.872 20 0 BDADRP C[C@@H]1COC[C@H]1[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715584765 712527201 /nfs/dbraw/zinc/52/72/01/712527201.db2.gz RBKLUZQOOCVBTH-NELGMTEASA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000715554078 712528112 /nfs/dbraw/zinc/52/81/12/712528112.db2.gz UZWAMPRMRAZIPJ-XUXIUFHCSA-N 2 0 239.407 1.589 20 0 BDADRP C[N@H+](CCC[NH3+])C[C@H]1CCC2(CCC2)CO1 ZINC000716294986 712553895 /nfs/dbraw/zinc/55/38/95/712553895.db2.gz OUXHIGDVYHQWEV-GFCCVEGCSA-N 2 0 226.364 1.616 20 0 BDADRP C[C@H](C[C@H]1COCCN1)[NH2+]C[C@@H]1CCC=CO1 ZINC000379974988 712643163 /nfs/dbraw/zinc/64/31/63/712643163.db2.gz FPKUORDFNMGWQP-AGIUHOORSA-N 2 0 240.347 1.036 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H](O)c2ccsc2)C1 ZINC000300400988 712670506 /nfs/dbraw/zinc/67/05/06/712670506.db2.gz HPJUXBDKWVKXMA-WOPDTQHZSA-N 2 0 240.372 1.641 20 0 BDADRP Cc1c[nH+]ccc1N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000719571683 712810953 /nfs/dbraw/zinc/81/09/53/712810953.db2.gz SOUKRGNLCHKUAB-ZYHUDNBSSA-N 2 0 205.305 1.316 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000719667147 712818271 /nfs/dbraw/zinc/81/82/71/712818271.db2.gz KWWCWQHQMALNJF-NEPJUHHUSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000719777636 712823996 /nfs/dbraw/zinc/82/39/96/712823996.db2.gz HPFULGVLGHYGEA-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP [NH3+]CC[C@H]1CCC[N@H+](CCc2ccns2)C1 ZINC000719849827 712826287 /nfs/dbraw/zinc/82/62/87/712826287.db2.gz ZSJMUNPPKBRWMA-LLVKDONJSA-N 2 0 239.388 1.746 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](CCc2ccns2)C1 ZINC000719889835 712826499 /nfs/dbraw/zinc/82/64/99/712826499.db2.gz OFRKRWODLJLIEH-JTQLQIEISA-N 2 0 225.361 1.356 20 0 BDADRP Cc1conc1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000720380304 712837329 /nfs/dbraw/zinc/83/73/29/712837329.db2.gz RKULQWHRHWJABB-JTQLQIEISA-N 2 0 223.320 1.542 20 0 BDADRP Cc1cc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c(C)nn1 ZINC000720585154 712854573 /nfs/dbraw/zinc/85/45/73/712854573.db2.gz WIZDPRDGLYTAMN-JQWIXIFHSA-N 2 0 234.347 1.263 20 0 BDADRP CN(C[C@@H]1C[C@@H]2CCC[C@@H]2O1)CC(C)(C)[NH3+] ZINC000720792041 712866069 /nfs/dbraw/zinc/86/60/69/712866069.db2.gz BUYUPFOTPTUETQ-SRVKXCTJSA-N 2 0 226.364 1.613 20 0 BDADRP COCCC[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720805258 712866817 /nfs/dbraw/zinc/86/68/17/712866817.db2.gz LEXKVJMLDJJZGX-BDAKNGLRSA-N 2 0 240.269 1.092 20 0 BDADRP CC1([NH3+])CC[NH+](C[C@@H]2C[C@H]3CCC[C@H]3O2)CC1 ZINC000720809416 712866980 /nfs/dbraw/zinc/86/69/80/712866980.db2.gz ZNMOOCLTSZVZDI-FRRDWIJNSA-N 2 0 238.375 1.757 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)C1 ZINC000720873534 712873465 /nfs/dbraw/zinc/87/34/65/712873465.db2.gz QNLUBGZUGDVYCV-XDQVBPFNSA-N 2 0 238.375 1.615 20 0 BDADRP C[N@H+](C[C@@H]1C[C@@H]2CCC[C@@H]2O1)C1CC([NH3+])C1 ZINC000720893098 712874558 /nfs/dbraw/zinc/87/45/58/712874558.db2.gz JFUIWZHVHJGWAE-JSPGJAJPSA-N 2 0 224.348 1.366 20 0 BDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1C[C@H](O)C1 ZINC000720951046 712881856 /nfs/dbraw/zinc/88/18/56/712881856.db2.gz HBBLKIMRUJSFMP-AAVRWANBSA-N 2 0 240.391 1.658 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000397781568 957815469 /nfs/dbraw/zinc/81/54/69/957815469.db2.gz OWCQOYJTMLRDRF-YVECIDJPSA-N 2 0 208.349 1.859 20 0 BDADRP CN(CC1CC[NH+](C)CC1)c1cc(N)cc[nH+]1 ZINC000063120397 721930230 /nfs/dbraw/zinc/93/02/30/721930230.db2.gz JVSGYGKVPHFNGG-UHFFFAOYSA-N 2 0 234.347 1.442 20 0 BDADRP CO[C@@H]1CC[C@H]1[N@H+](C)CCC1CC[NH2+]CC1 ZINC000724153698 958736804 /nfs/dbraw/zinc/73/68/04/958736804.db2.gz SPPVRXJKCHZJSL-CHWSQXEVSA-N 2 0 226.364 1.485 20 0 BDADRP CCC[C@H](O)C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405203090 959159372 /nfs/dbraw/zinc/15/93/72/959159372.db2.gz BVCXZJCYAIZGIE-DCAQKATOSA-N 2 0 212.337 1.007 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](C[C@H](O)CC2CCCC2)C1 ZINC000300032674 959827755 /nfs/dbraw/zinc/82/77/55/959827755.db2.gz SZVOCQACKZHWRI-ZIAGYGMSSA-N 2 0 240.391 1.469 20 0 BDADRP CC[N@@H+]1CC[C@H](Oc2cc[nH+]c(N)c2)C1 ZINC001226657421 975007008 /nfs/dbraw/zinc/00/70/08/975007008.db2.gz PMCJGGFQQCGKEG-JTQLQIEISA-N 2 0 207.277 1.137 20 0 BDADRP CO[C@H]1C[N@H+](CCC2CC[NH+](C)CC2)C[C@@H]1F ZINC001207478999 960347524 /nfs/dbraw/zinc/34/75/24/960347524.db2.gz AGGKWAUBAILDHP-STQMWFEESA-N 2 0 244.354 1.387 20 0 BDADRP Cc1cncc(C[NH+]2CCC(F)(C[NH3+])CC2)c1 ZINC001222532413 960684619 /nfs/dbraw/zinc/68/46/19/960684619.db2.gz LMCKHPODAMYMFQ-UHFFFAOYSA-N 2 0 237.322 1.653 20 0 BDADRP Cc1cc(NC(=[NH2+])NCCCC[NH3+])cc(F)n1 ZINC001167878381 961438591 /nfs/dbraw/zinc/43/85/91/961438591.db2.gz LFLXTJJVOSKHMZ-UHFFFAOYSA-N 2 0 239.298 1.204 20 0 BDADRP C[C@@]1([NH3+])CC[N@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001204763243 963371231 /nfs/dbraw/zinc/37/12/31/963371231.db2.gz IKCHKUQWEBHGJO-UMSGYPCISA-N 2 0 206.333 1.622 20 0 BDADRP CC[NH2+]CC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001482890093 964233808 /nfs/dbraw/zinc/23/38/08/964233808.db2.gz VNGFDYSQASZZFZ-NWDGAFQWSA-N 2 0 243.395 1.077 20 0 BDADRP C[C@@H](CCNC(=O)CC[NH2+]C(C)(C)C)[NH+](C)C ZINC000697832904 964552322 /nfs/dbraw/zinc/55/23/22/964552322.db2.gz UGYPSTOIRNAKHA-NSHDSACASA-N 2 0 243.395 1.221 20 0 BDADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+]C(C)C ZINC001161233428 964559963 /nfs/dbraw/zinc/55/99/63/964559963.db2.gz WGVLLANEJHAHHB-UHFFFAOYSA-N 2 0 243.395 1.221 20 0 BDADRP CO[C@H](C[NH2+]CC[C@H](C)[NH+](C)C)C1CC1 ZINC000697877176 964601614 /nfs/dbraw/zinc/60/16/14/964601614.db2.gz BBNMJJUTDKYSRG-CMPLNLGQSA-N 2 0 214.353 1.341 20 0 BDADRP C[NH+]1CCC(CO[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001224449572 964650564 /nfs/dbraw/zinc/65/05/64/964650564.db2.gz HUKMAABQVXODCF-CYBMUJFWSA-N 2 0 226.364 1.439 20 0 BDADRP C[N@H+](CCOCC[NH3+])Cc1cc(Cl)cs1 ZINC000699489692 965915501 /nfs/dbraw/zinc/91/55/01/965915501.db2.gz LAWMWDQSSWCROW-UHFFFAOYSA-N 2 0 248.779 1.809 20 0 BDADRP CCC1(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)COC1 ZINC001205536927 967670607 /nfs/dbraw/zinc/67/06/07/967670607.db2.gz CHTXYAVQMLYRSQ-ZDUSSCGKSA-N 2 0 244.354 1.566 20 0 BDADRP COC(=O)C1(C)CCC([NH2+]C2CC([NH3+])C2)CC1 ZINC001168763779 968085909 /nfs/dbraw/zinc/08/59/09/968085909.db2.gz FPDZVSZXAJRBMK-UHFFFAOYSA-N 2 0 240.347 1.188 20 0 BDADRP CCCC[C@H](O)C[NH2+]CC1CC[NH+](C)CC1 ZINC001252107486 968587332 /nfs/dbraw/zinc/58/73/32/968587332.db2.gz YFIVBAYIYJKWPN-ZDUSSCGKSA-N 2 0 228.380 1.469 20 0 BDADRP CCCC[C@H](O)C[NH2+][C@H]1CCN(CC(C)C)C1 ZINC001252119433 968603157 /nfs/dbraw/zinc/60/31/57/968603157.db2.gz XTGPSMPTXXKOQN-KBPBESRZSA-N 2 0 242.407 1.857 20 0 BDADRP COC(=O)[C@@H]1CC[N@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207279994 968703768 /nfs/dbraw/zinc/70/37/68/968703768.db2.gz QQIAYBXHTZEIHA-LLVKDONJSA-N 2 0 242.363 1.069 20 0 BDADRP C[NH+]1CCC(C[N@H+]2C[C@H]3[C@H](CC3(F)F)C2)CC1 ZINC001207393913 968750179 /nfs/dbraw/zinc/75/01/79/968750179.db2.gz FBBDFSAUPHLDKW-NEPJUHHUSA-N 2 0 244.329 1.915 20 0 BDADRP C[NH+]1CCC2(C[NH+](C[C@@H]3CCCCO3)C2)CC1 ZINC001207959600 968957074 /nfs/dbraw/zinc/95/70/74/968957074.db2.gz NNOLPLUKPXKOBN-ZDUSSCGKSA-N 2 0 238.375 1.583 20 0 BDADRP C[NH+]1CCC(C)(C[NH+]2CC(C)(CO)C2)CC1 ZINC001208108049 968999717 /nfs/dbraw/zinc/99/97/17/968999717.db2.gz OFUBRCCBXIJRDE-UHFFFAOYSA-N 2 0 226.364 1.033 20 0 BDADRP C[C@H]1C[N@H+](CC2(C)CC[NH+](C)CC2)CCCO1 ZINC001208105631 969003503 /nfs/dbraw/zinc/00/35/03/969003503.db2.gz APHWJDQPNVWYEA-ZDUSSCGKSA-N 2 0 240.391 1.829 20 0 BDADRP CN1CC[C@H]([N@H+](C)CC2(C)CC[NH+](C)CC2)C1 ZINC001208112884 969009431 /nfs/dbraw/zinc/00/94/31/969009431.db2.gz BSUBLGCJKNBDDY-ZDUSSCGKSA-N 2 0 239.407 1.354 20 0 BDADRP CCCN(CCC[NH+](C)C)CC[NH+](C)C ZINC001208129941 969030766 /nfs/dbraw/zinc/03/07/66/969030766.db2.gz OZCBZCLGYVOLBE-UHFFFAOYSA-N 2 0 215.385 1.212 20 0 BDADRP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H]1C[C@H]2CC[C@@H]1C2 ZINC001253206356 969111136 /nfs/dbraw/zinc/11/11/36/969111136.db2.gz MWIREIRGBBYFDK-REWJHTLYSA-N 2 0 240.391 1.467 20 0 BDADRP CC[NH+](CC)C[C@@H](O)C[NH2+]C[C@H]1C[C@H](F)C1 ZINC001253206065 969113341 /nfs/dbraw/zinc/11/33/41/969113341.db2.gz KHMZBWJHJJETFL-SRVKXCTJSA-N 2 0 232.343 1.027 20 0 BDADRP CC[NH+]1CCC(C[N@H+](C)[C@@H]2CCCOC2)CC1 ZINC001208605083 969155535 /nfs/dbraw/zinc/15/55/35/969155535.db2.gz YJFUMCGNRWPQLC-CQSZACIVSA-N 2 0 240.391 1.829 20 0 BDADRP CC[N@H+](CCOC)C[C@@H]1CCC[NH+](C)C1 ZINC001208603875 969158305 /nfs/dbraw/zinc/15/83/05/969158305.db2.gz HTQCWQBGGWCIPF-GFCCVEGCSA-N 2 0 214.353 1.297 20 0 BDADRP CC[NH+]1CCC(C[NH+]2CC3(CSC3)C2)CC1 ZINC001208603068 969158338 /nfs/dbraw/zinc/15/83/38/969158338.db2.gz ULVLXRWZOKWRRO-UHFFFAOYSA-N 2 0 240.416 1.767 20 0 BDADRP CCO[C@H]1CCC[N@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208607933 969166181 /nfs/dbraw/zinc/16/61/81/969166181.db2.gz OQNFDNSRYMPHFS-KBPBESRZSA-N 2 0 240.391 1.829 20 0 BDADRP CCCCC[C@H](O)C[NH2+]CC1CC[NH+](C)CC1 ZINC001253546895 969216963 /nfs/dbraw/zinc/21/69/63/969216963.db2.gz DDRGCDULTDJOES-AWEZNQCLSA-N 2 0 242.407 1.859 20 0 BDADRP CO[C@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169099125 969394121 /nfs/dbraw/zinc/39/41/21/969394121.db2.gz NTYKRDFNCCTRQQ-HALBRFILSA-N 2 0 224.348 1.379 20 0 BDADRP COC(C[NH+]1CCC2(CC[N@H+](C)C2)CC1)OC ZINC001276642533 969497603 /nfs/dbraw/zinc/49/76/03/969497603.db2.gz IPBYFZBVYUYLTQ-UHFFFAOYSA-N 2 0 242.363 1.023 20 0 BDADRP C[C@@H]1C[N@@H+]([C@@H]2CCC[NH+](C)CC2)CC[C@H]1O ZINC001254517720 969695585 /nfs/dbraw/zinc/69/55/85/969695585.db2.gz YJYQCPFQMQVTHB-JHJVBQTASA-N 2 0 226.364 1.173 20 0 BDADRP COC[C@H]1CCC[N@@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254517832 969697074 /nfs/dbraw/zinc/69/70/74/969697074.db2.gz ZAJFAUBPJUXLDG-CHWSQXEVSA-N 2 0 226.364 1.582 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH+]2CCC[C@H](CCO)C2)CC1 ZINC001254524276 969712737 /nfs/dbraw/zinc/71/27/37/969712737.db2.gz AGABBFWKWYZNQF-KGLIPLIRSA-N 2 0 240.391 1.565 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH+]2CCSCC2)CC1 ZINC001254521273 969709353 /nfs/dbraw/zinc/70/93/53/969709353.db2.gz USIAGPADRHZLOQ-NSHDSACASA-N 2 0 214.378 1.520 20 0 BDADRP CO[C@H]1CCC[N@@H+]([C@@H]2CCC[NH+](C)CC2)CC1 ZINC001254525798 969719202 /nfs/dbraw/zinc/71/92/02/969719202.db2.gz MFLLZWVNNKMTPC-KGLIPLIRSA-N 2 0 240.391 1.972 20 0 BDADRP CCN(CCC[NH+](C)C)[C@@H]1CCC[N@H+](C)CC1 ZINC001254531388 969732620 /nfs/dbraw/zinc/73/26/20/969732620.db2.gz KHSKWSYTXPUKJE-CQSZACIVSA-N 2 0 241.423 1.744 20 0 BDADRP CCOC(=O)[C@H]1CCC[C@H]([NH2+]C2CC([NH3+])C2)C1 ZINC001255353874 970123563 /nfs/dbraw/zinc/12/35/63/970123563.db2.gz PYUXMWBPHGOHOZ-VOBJUBJWSA-N 2 0 240.347 1.188 20 0 BDADRP C[C@H](Cc1ccc(F)cc1)N(CC[NH3+])CCO ZINC001255855804 970520204 /nfs/dbraw/zinc/52/02/04/970520204.db2.gz HIMICTGMMIGZII-LLVKDONJSA-N 2 0 240.322 1.010 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N[C@@H]1CCC[N@H+](C)C1 ZINC001255944599 970574555 /nfs/dbraw/zinc/57/45/55/970574555.db2.gz WCZOMSHZADHLST-UONOGXRCSA-N 2 0 241.423 1.791 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N[C@H]1CCC[C@H]([NH3+])C1 ZINC001255949697 970581676 /nfs/dbraw/zinc/58/16/76/970581676.db2.gz ALCZLKYYTFLZCM-RDBSUJKOSA-N 2 0 241.423 1.966 20 0 BDADRP CC[NH+](CC)CC[C@H](C)NC(=[NH2+])SCC[NH3+] ZINC001255946166 970583828 /nfs/dbraw/zinc/58/38/28/970583828.db2.gz RHDOFAFTGISGNH-JTQLQIEISA-N 3 0 246.424 1.323 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC001255957079 970593490 /nfs/dbraw/zinc/59/34/90/970593490.db2.gz ORXOGGABIHNRAR-AVGNSLFASA-N 2 0 228.380 1.419 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@](C)(CO)C1 ZINC001255956507 970596947 /nfs/dbraw/zinc/59/69/47/970596947.db2.gz KUSNERYUAWSEKL-KBPBESRZSA-N 2 0 242.407 1.811 20 0 BDADRP [NH3+]CCCC[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000304569721 970617482 /nfs/dbraw/zinc/61/74/82/970617482.db2.gz MLNPPBVXJDECCJ-UHFFFAOYSA-N 2 0 240.269 1.115 20 0 BDADRP OCCCCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400974590 970654547 /nfs/dbraw/zinc/65/45/47/970654547.db2.gz RDXYYLCFUFLQTL-HZSPNIEDSA-N 2 0 240.391 1.517 20 0 BDADRP CC[NH+](CC)C1CCC([NH2+][C@H]2C[C@H](O)C2)CC1 ZINC001173103826 975021528 /nfs/dbraw/zinc/02/15/28/975021528.db2.gz UOJYICKZKJEKHI-VKNLNRKYSA-N 2 0 240.391 1.752 20 0 BDADRP C[C@@H]([NH3+])C[N@@H+]1CCC[C@H](C2CCOCC2)C1 ZINC001332814685 975286601 /nfs/dbraw/zinc/28/66/01/975286601.db2.gz BOLLBTCJMTZSLN-YPMHNXCESA-N 2 0 226.364 1.472 20 0 BDADRP COC(=O)CCCC[C@H](C)[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC001173436955 975372365 /nfs/dbraw/zinc/37/23/65/975372365.db2.gz GWPKLKVTXWDZKW-NWDGAFQWSA-N 2 0 242.363 1.531 20 0 BDADRP COC(=O)CCCC[C@@H](C)[NH2+]CCCC[NH3+] ZINC001173437776 975372440 /nfs/dbraw/zinc/37/24/40/975372440.db2.gz QCRFWLGLCQXOLL-LLVKDONJSA-N 2 0 230.352 1.437 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC001340062741 978962997 /nfs/dbraw/zinc/96/29/97/978962997.db2.gz HTJCZVUNIFXBAS-IGQOVBAYSA-N 2 0 240.391 1.637 20 0 BDADRP COCCC[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235233058 979000403 /nfs/dbraw/zinc/00/04/03/979000403.db2.gz MWVCSRDAAVCEMW-AWEZNQCLSA-N 2 0 240.391 1.877 20 0 BDADRP CC[C@H]([NH3+])CN1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235234500 979001627 /nfs/dbraw/zinc/00/16/27/979001627.db2.gz YWTZWPAPNPPJLH-UONOGXRCSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@@H]1C[NH2+][C@@H](C)CN1CC[C@@H]1CCCC[NH2+]1 ZINC001235442222 979045583 /nfs/dbraw/zinc/04/55/83/979045583.db2.gz SNDYERFYWRVMGI-XQQFMLRXSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H]([NH3+])CN1CCC(C2CC[NH+](C)CC2)CC1 ZINC001235728092 979136547 /nfs/dbraw/zinc/13/65/47/979136547.db2.gz YYJOQMUEWMREFQ-GFCCVEGCSA-N 2 0 239.407 1.387 20 0 BDADRP C[N@H+](C1CC1)C1CCN(CCCCO)CC1 ZINC001236093398 979385367 /nfs/dbraw/zinc/38/53/67/979385367.db2.gz GRLMQFYCCLZIMI-UHFFFAOYSA-N 2 0 226.364 1.318 20 0 BDADRP CCCC[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCN1 ZINC001236134892 979403841 /nfs/dbraw/zinc/40/38/41/979403841.db2.gz ISNBOEHBLSSNKS-AWEZNQCLSA-N 2 0 239.407 1.450 20 0 BDADRP CC[C@@H](C)C[C@H]([NH3+])C(=O)NCCC[NH2+]C1CC1 ZINC001342124518 979669261 /nfs/dbraw/zinc/66/92/61/979669261.db2.gz JXOHXGJJUHUQEZ-PWSUYJOCSA-N 2 0 241.379 1.008 20 0 BDADRP C([C@H]1CCC[NH2+]1)N(C1CCC1)C1CC[NH2+]CC1 ZINC001236634059 979684992 /nfs/dbraw/zinc/68/49/92/979684992.db2.gz PMMYGHOIUJXOTI-GFCCVEGCSA-N 2 0 237.391 1.345 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH+]3CCC2CC3)CO1 ZINC001184135949 979947360 /nfs/dbraw/zinc/94/73/60/979947360.db2.gz XXLQGDJUTXOZRA-RTXFEEFZSA-N 2 0 224.348 1.095 20 0 BDADRP COC(=O)c1cccc(C[NH2+]CCCC[NH3+])c1 ZINC001345105071 980550406 /nfs/dbraw/zinc/55/04/06/980550406.db2.gz PJVIASCPOSGUPJ-UHFFFAOYSA-N 2 0 236.315 1.302 20 0 BDADRP [NH3+]C[C@@]1(F)CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC001205545984 980943873 /nfs/dbraw/zinc/94/38/73/980943873.db2.gz NYTMOILJYGJOSH-NWDGAFQWSA-N 2 0 230.327 1.318 20 0 BDADRP C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205545619 980947892 /nfs/dbraw/zinc/94/78/92/980947892.db2.gz KRVOOFPWKOHQPQ-GRYCIOLGSA-N 2 0 214.328 1.795 20 0 BDADRP C[C@@]1(C[N@@H+]2CCC[C@@](C)(CO)C2)CC[NH2+]C1 ZINC001349321167 981532090 /nfs/dbraw/zinc/53/20/90/981532090.db2.gz YZYXXJNPHMZJQL-CHWSQXEVSA-N 2 0 226.364 1.080 20 0 BDADRP CC(C)[NH+]1CCC(C[NH2+]C[C@H](C)O)CC1 ZINC001251969705 983053105 /nfs/dbraw/zinc/05/31/05/983053105.db2.gz IEEWUMPQSOKHII-NSHDSACASA-N 2 0 214.353 1.077 20 0 BDADRP CC[NH+]1CCC(n2cccc2C[NH3+])CC1 ZINC000082640541 983131844 /nfs/dbraw/zinc/13/18/44/983131844.db2.gz ZVPVRWYEMCYMFX-UHFFFAOYSA-N 2 0 207.321 1.604 20 0 BDADRP [NH3+][C@H](C[NH2+]CCc1ccc(F)cc1F)C1CC1 ZINC001327414954 972569609 /nfs/dbraw/zinc/56/96/09/972569609.db2.gz GHXJMFJIIRURKZ-CYBMUJFWSA-N 2 0 240.297 1.834 20 0 BDADRP C[NH2+]C[C@@H]1CCCN([C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246549894 972702953 /nfs/dbraw/zinc/70/29/53/972702953.db2.gz KXSPNYLKJLWUGK-AVGNSLFASA-N 2 0 225.380 1.058 20 0 BDADRP [NH3+]C[C@@H]1C[N@@H+]([C@H]2C[C@H]3C[C@H]3C2)CCC1(F)F ZINC001246557499 972772720 /nfs/dbraw/zinc/77/27/20/972772720.db2.gz LWWWNLNSTRUFKB-YTWAJWBKSA-N 2 0 230.302 1.701 20 0 BDADRP C[C@@H]1C[C@H](N2CC[C@@H](C[NH3+])[C@@H](C)CC2)C[NH2+]1 ZINC001246558824 972782885 /nfs/dbraw/zinc/78/28/85/972782885.db2.gz NZRXUYRTUXLMKH-RNJOBUHISA-N 2 0 225.380 1.044 20 0 BDADRP CC(C)([NH3+])CNc1cccc2c1CC[C@H]2[NH3+] ZINC001171194450 972846738 /nfs/dbraw/zinc/84/67/38/972846738.db2.gz NWNLUNXZQARLQA-LLVKDONJSA-N 2 0 219.332 1.782 20 0 BDADRP CN(C)c1cc[nH+]c(NC/C=C/C[NH3+])c1 ZINC001160977366 973188085 /nfs/dbraw/zinc/18/80/85/973188085.db2.gz XBRBFZWFAQYWLX-ONEGZZNKSA-N 2 0 206.293 1.074 20 0 BDADRP CC[N@@H+]1CCC[C@@H](OCC2CC[NH+](C)CC2)C1 ZINC001224452966 973657687 /nfs/dbraw/zinc/65/76/87/973657687.db2.gz IEXMNRSXYXNZDL-CQSZACIVSA-N 2 0 240.391 1.829 20 0 BDADRP CC(C)(C)[NH+]1CCC([NH2+]C(C)(C)CCO)CC1 ZINC001256562179 970863596 /nfs/dbraw/zinc/86/35/96/970863596.db2.gz ZFTKXVGVPYIXCP-UHFFFAOYSA-N 2 0 242.407 2.000 20 0 BDADRP CC(C)(C)[NH+]1CCC([N@@H+]2CCC[C@@H]2CO)CC1 ZINC001256570120 970865186 /nfs/dbraw/zinc/86/51/86/970865186.db2.gz YLCYJVAKINJUOH-CYBMUJFWSA-N 2 0 240.391 1.706 20 0 BDADRP C[C@@H](CO)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256616123 970882038 /nfs/dbraw/zinc/88/20/38/970882038.db2.gz IRSHXANFIFOKOE-ODWCKFRGSA-N 2 0 226.364 1.220 20 0 BDADRP C1CC1[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256675809 970914738 /nfs/dbraw/zinc/91/47/38/970914738.db2.gz JHOHNLBSVOQKAH-UHFFFAOYSA-N 2 0 224.348 1.382 20 0 BDADRP CC(C)N(CCC[NH3+])C1CC[NH+](C(C)C)CC1 ZINC001257204549 971124405 /nfs/dbraw/zinc/12/44/05/971124405.db2.gz LLXMSXWBHXHNMU-UHFFFAOYSA-N 2 0 241.423 1.918 20 0 BDADRP CC(C)[NH+]1CCC(Nc2nccnc2C[NH3+])CC1 ZINC001257210439 971127501 /nfs/dbraw/zinc/12/75/01/971127501.db2.gz QEPSJNQDPOVIOZ-UHFFFAOYSA-N 2 0 249.362 1.220 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)O1 ZINC000405212245 971207441 /nfs/dbraw/zinc/20/74/41/971207441.db2.gz IOOXAQYQRUNWGO-KKOKHZNYSA-N 2 0 224.348 1.413 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CC2=CCCOC2)C12CCC2 ZINC000405237108 971214438 /nfs/dbraw/zinc/21/44/38/971214438.db2.gz FGLVSEMJUJDADK-NEPJUHHUSA-N 2 0 222.332 1.193 20 0 BDADRP [NH3+][C@@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C12CCC2 ZINC000405222617 971214909 /nfs/dbraw/zinc/21/49/09/971214909.db2.gz NFOLSOXBKAOUMV-RQJABVFESA-N 2 0 249.402 1.473 20 0 BDADRP COC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)C1CC1 ZINC000405223470 971215203 /nfs/dbraw/zinc/21/52/03/971215203.db2.gz NNGKFJUWCBHAAG-SDDRHHMPSA-N 2 0 224.348 1.271 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CCCn2cccn2)C12CCC2 ZINC000405242576 971218059 /nfs/dbraw/zinc/21/80/59/971218059.db2.gz CAJJXLFLRLZWAW-NEPJUHHUSA-N 2 0 234.347 1.133 20 0 BDADRP COCCC1(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000405241087 971220290 /nfs/dbraw/zinc/22/02/90/971220290.db2.gz WCBIUYQMBABUGY-NEPJUHHUSA-N 2 0 238.375 1.663 20 0 BDADRP Cc1nccn1CC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405241007 971220768 /nfs/dbraw/zinc/22/07/68/971220768.db2.gz BBKWPHORIJYHHH-NWDGAFQWSA-N 2 0 234.347 1.051 20 0 BDADRP CCOCCCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405289343 971227440 /nfs/dbraw/zinc/22/74/40/971227440.db2.gz XCUQRYGQTPIOIO-NWDGAFQWSA-N 2 0 226.364 1.663 20 0 BDADRP Cc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)cn1 ZINC000405270893 971227646 /nfs/dbraw/zinc/22/76/46/971227646.db2.gz UPLMZOIVYFROKC-CHWSQXEVSA-N 2 0 231.343 1.750 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405307989 971232812 /nfs/dbraw/zinc/23/28/12/971232812.db2.gz LSQVAOZNKUZFEX-QJPTWQEYSA-N 2 0 226.364 1.110 20 0 BDADRP CC[C@H](CSC)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405299090 971230242 /nfs/dbraw/zinc/23/02/42/971230242.db2.gz INCXDMZLJUPIFE-GMTAPVOTSA-N 2 0 228.405 1.988 20 0 BDADRP COC[C@H](C)C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405352889 971240988 /nfs/dbraw/zinc/24/09/88/971240988.db2.gz PLCUPMUZJZACIJ-VWYCJHECSA-N 2 0 212.337 1.128 20 0 BDADRP C[C@H](CCCO)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405344959 971243007 /nfs/dbraw/zinc/24/30/07/971243007.db2.gz KJVKMEOPSWMHDQ-GMTAPVOTSA-N 2 0 212.337 1.007 20 0 BDADRP COCCCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405365561 971243120 /nfs/dbraw/zinc/24/31/20/971243120.db2.gz WDQGAAGGGGURJV-QWRGUYRKSA-N 2 0 212.337 1.273 20 0 BDADRP CCC[C@H](C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)OC ZINC000405392343 971246126 /nfs/dbraw/zinc/24/61/26/971246126.db2.gz HBSKLVSDDGMTKC-WOPDTQHZSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@H](CC(C)(C)O)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405393500 971246488 /nfs/dbraw/zinc/24/64/88/971246488.db2.gz HNPWSCLJDLJURB-GMTAPVOTSA-N 2 0 226.364 1.395 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CCOCC2CC2)C12CCC2 ZINC000405432331 971253439 /nfs/dbraw/zinc/25/34/39/971253439.db2.gz SOYUJDONZMIRQW-NEPJUHHUSA-N 2 0 224.348 1.273 20 0 BDADRP CCCCCC[C@@H](CC)[NH2+]C[C@@H](O)C[NH3+] ZINC001170581606 971253747 /nfs/dbraw/zinc/25/37/47/971253747.db2.gz OONOUBVACZHFDL-NEPJUHHUSA-N 2 0 216.369 1.645 20 0 BDADRP [NH3+][C@@H]1C[C@H](N[C@H]2CC[N@@H+](C3CC3)C2)C12CCC2 ZINC000405483160 971267727 /nfs/dbraw/zinc/26/77/27/971267727.db2.gz NLNHPKNTGXLEIM-UHTWSYAYSA-N 2 0 235.375 1.083 20 0 BDADRP [NH3+][C@@H]1C[C@H](N[C@@H]2CC[N@@H+](C3CC3)C2)C12CCC2 ZINC000405483156 971265667 /nfs/dbraw/zinc/26/56/67/971265667.db2.gz NLNHPKNTGXLEIM-RTXFEEFZSA-N 2 0 235.375 1.083 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H]2CO[C@H](C)[C@@H]2C)CC1 ZINC000405537428 971270975 /nfs/dbraw/zinc/27/09/75/971270975.db2.gz BXHBOQKQZMAYBP-OUCADQQQSA-N 2 0 240.391 1.874 20 0 BDADRP CCCCCC[C@@H](C)[NH2+]C[C@@H](O)C[NH3+] ZINC001257360169 971274480 /nfs/dbraw/zinc/27/44/80/971274480.db2.gz KGMJIZLSCDBNJM-MNOVXSKESA-N 2 0 202.342 1.255 20 0 BDADRP C[C@@H]1[C@@H]([NH2+]CC2CC[NH+](C)CC2)CO[C@H]1C ZINC000405699341 971291975 /nfs/dbraw/zinc/29/19/75/971291975.db2.gz YURVJIYWXLYTNM-GVXVVHGQSA-N 2 0 226.364 1.341 20 0 BDADRP CCCCOC(=O)CC[C@H](C)[NH2+]C[C@H](C)C[NH3+] ZINC001257381144 971294709 /nfs/dbraw/zinc/29/47/09/971294709.db2.gz JCEIZUXDCBSVKJ-NEPJUHHUSA-N 2 0 244.379 1.683 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CO[C@@H](C)[C@H]1C ZINC000405795344 971303710 /nfs/dbraw/zinc/30/37/10/971303710.db2.gz UDTQHXDEMKETAR-FRRDWIJNSA-N 2 0 228.380 1.730 20 0 BDADRP CCCC[C@@H](CC)[NH+]1CCN(CCC[NH3+])CC1 ZINC001257413915 971310169 /nfs/dbraw/zinc/31/01/69/971310169.db2.gz GYUMROIFOGXETD-CQSZACIVSA-N 2 0 241.423 1.922 20 0 BDADRP C[C@H]1C[C@@H]1c1nnc(C[C@@H]([NH3+])CCCC[NH3+])o1 ZINC001217716946 971352361 /nfs/dbraw/zinc/35/23/61/971352361.db2.gz DJDJOIJMNMRWRY-GUBZILKMSA-N 2 0 238.335 1.192 20 0 BDADRP CC[C@H](C)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001257442519 971353419 /nfs/dbraw/zinc/35/34/19/971353419.db2.gz JSOXWWAFEGYYBR-AWEZNQCLSA-N 2 0 243.439 1.990 20 0 BDADRP C[NH2+][C@H]1C[C@H](OCCC2CC[NH2+]CC2)C1 ZINC001217765079 971389348 /nfs/dbraw/zinc/38/93/48/971389348.db2.gz VXQGLBFRJRUKSK-HAQNSBGRSA-N 2 0 212.337 1.143 20 0 BDADRP C[NH2+][C@H]1C[C@@H](OCCCC2CC[NH2+]CC2)C1 ZINC001217766557 971394433 /nfs/dbraw/zinc/39/44/33/971394433.db2.gz ALGGIZZEMXDDKY-BETUJISGSA-N 2 0 226.364 1.533 20 0 BDADRP C(C[C@@H]1CCC[NH2+]C1)O[C@H]1CCCC[NH2+]C1 ZINC001217774059 971396911 /nfs/dbraw/zinc/39/69/11/971396911.db2.gz SSAHWPOVHWEKIN-STQMWFEESA-N 2 0 226.364 1.535 20 0 BDADRP C[C@@H]1C[NH2+]CCC[C@@H]1OCC1(C)CC[NH2+]CC1 ZINC001217778163 971401132 /nfs/dbraw/zinc/40/11/32/971401132.db2.gz KPMGZAZBXNOLMG-OLZOCXBDSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1OCCCCCC[NH3+] ZINC001217790291 971408910 /nfs/dbraw/zinc/40/89/10/971408910.db2.gz YIGJLNPXWSWMAU-VXGBXAGGSA-N 2 0 214.353 1.520 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](OC[C@H]1CCC[NH2+]C1)C2 ZINC001217821248 971418064 /nfs/dbraw/zinc/41/80/64/971418064.db2.gz GOPQLDJDOUUETK-IGQOVBAYSA-N 2 0 238.375 1.628 20 0 BDADRP C(CO[C@H]1CCC12C[NH2+]C2)CC1CC[NH2+]CC1 ZINC001217850909 971445624 /nfs/dbraw/zinc/44/56/24/971445624.db2.gz VJCFZPFBUKVVQT-ZDUSSCGKSA-N 2 0 238.375 1.535 20 0 BDADRP C(C[C@@H]1CCC[NH2+]C1)O[C@H]1CCC[NH2+]C1 ZINC001217861454 971455840 /nfs/dbraw/zinc/45/58/40/971455840.db2.gz VWBKYZDOZHJPPX-RYUDHWBXSA-N 2 0 212.337 1.145 20 0 BDADRP C1=C[C@@H](OCCCCC2CC[NH2+]CC2)C[NH2+]C1 ZINC001217881764 971475801 /nfs/dbraw/zinc/47/58/01/971475801.db2.gz FGBAJHAVLYSYTF-CQSZACIVSA-N 2 0 238.375 1.701 20 0 BDADRP CC[N@@H+]1CCC[C@@H](OC[C@H]2CCC[NH2+]C2)C1 ZINC001217889982 971487685 /nfs/dbraw/zinc/48/76/85/971487685.db2.gz JWQDXZPDGDKUQE-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@H]1CC[C@@H](OCCCCCC[NH3+])C[NH2+]1 ZINC001217909268 971508303 /nfs/dbraw/zinc/50/83/03/971508303.db2.gz FBQIFSFPBUNMBQ-NWDGAFQWSA-N 2 0 214.353 1.663 20 0 BDADRP C[C@@H]1CC[C@H](OCCCCCC[NH3+])C[NH2+]1 ZINC001217909262 971510354 /nfs/dbraw/zinc/51/03/54/971510354.db2.gz FBQIFSFPBUNMBQ-NEPJUHHUSA-N 2 0 214.353 1.663 20 0 BDADRP C[C@@H]1CC[C@H](OCC(C)(C)C[NH3+])C[NH2+]1 ZINC001217910526 971511208 /nfs/dbraw/zinc/51/12/08/971511208.db2.gz JFESKDPYKPAFQH-ZJUUUORDSA-N 2 0 200.326 1.128 20 0 BDADRP [NH3+]CCCCCCCO[C@@H]1CC[C@H]2C[NH2+]C[C@@H]21 ZINC001217934925 971535817 /nfs/dbraw/zinc/53/58/17/971535817.db2.gz AQOIEWHOXPAGRC-MELADBBJSA-N 2 0 240.391 1.910 20 0 BDADRP CC1(C)C[C@H](OC[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001217936011 971535987 /nfs/dbraw/zinc/53/59/87/971535987.db2.gz CFPXXDRXFFCKBW-VXGBXAGGSA-N 2 0 226.364 1.533 20 0 BDADRP C(O[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]12)[C@@H]1CCC[NH2+]C1 ZINC001217934975 971537481 /nfs/dbraw/zinc/53/74/81/971537481.db2.gz BPFMILIRTRMRIH-FDYHWXHSSA-N 2 0 224.348 1.001 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1OCc1ccccc1C[NH3+] ZINC001217938816 971539507 /nfs/dbraw/zinc/53/95/07/971539507.db2.gz GUMNDSJYXLBKTP-RISCZKNCSA-N 2 0 234.343 1.660 20 0 BDADRP CC(C)C[NH+]1CCC(NC[C@H](C)C[NH3+])CC1 ZINC001258004051 971553650 /nfs/dbraw/zinc/55/36/50/971553650.db2.gz AEQNKUWRNUZDJH-GFCCVEGCSA-N 2 0 227.396 1.291 20 0 BDADRP C[C@@H]([NH3+])c1ccc(O[C@H]2C[NH2+]C[C@H]2C)cc1 ZINC001217967212 971551398 /nfs/dbraw/zinc/55/13/98/971551398.db2.gz OFMSBYGGBNONCI-BREBYQMCSA-N 2 0 220.316 1.693 20 0 BDADRP c1cc2c(c(O[C@@H]3CCCC[NH2+]C3)c1)C[NH2+]C2 ZINC001217974506 971557744 /nfs/dbraw/zinc/55/77/44/971557744.db2.gz NUVBQQNCHSBBTE-GFCCVEGCSA-N 2 0 232.327 1.811 20 0 BDADRP F[C@H]1C[NH2+]C[C@@H]1Oc1ccc2c(c1)CC[NH2+]C2 ZINC001218015542 971574352 /nfs/dbraw/zinc/57/43/52/971574352.db2.gz SYRLOQJAXWAWGI-STQMWFEESA-N 2 0 236.290 1.021 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1Oc1ccc(CC[NH3+])cc1 ZINC001218028650 971576738 /nfs/dbraw/zinc/57/67/38/971576738.db2.gz WBSSHVPPUOZGFQ-IUODEOHRSA-N 2 0 248.370 1.955 20 0 BDADRP C[C@@H]1C[C@@H](Oc2cccc3c2C[NH2+]C3)C[NH2+]1 ZINC001218039428 971583423 /nfs/dbraw/zinc/58/34/23/971583423.db2.gz LOXQZBJQBDBSDC-MWLCHTKSSA-N 2 0 218.300 1.419 20 0 BDADRP C[C@@H]1C[C@@H](Oc2cccc3c2C[NH2+]C3)CC[NH2+]1 ZINC001218059458 971595784 /nfs/dbraw/zinc/59/57/84/971595784.db2.gz JLAOAPQMFRQSHQ-PWSUYJOCSA-N 2 0 232.327 1.809 20 0 BDADRP c1cc2c(c(O[C@@H]3C[C@H]4C[C@@H]3C[NH2+]4)c1)CC[NH2+]C2 ZINC001218113110 971603261 /nfs/dbraw/zinc/60/32/61/971603261.db2.gz YORGGXBOUIKWSO-LALPHHSUSA-N 2 0 244.338 1.462 20 0 BDADRP [NH3+]Cc1ccc(O[C@@H]2CC[C@]23CC[NH2+]C3)cc1 ZINC001218126017 971605052 /nfs/dbraw/zinc/60/50/52/971605052.db2.gz XVDVMQAMYPBSQK-ZIAGYGMSSA-N 2 0 232.327 1.666 20 0 BDADRP [NH3+]Cc1cccc(O[C@H]2C[NH2+][C@@H]3CCCO[C@@H]32)c1 ZINC001218166573 971609734 /nfs/dbraw/zinc/60/97/34/971609734.db2.gz KEQLWFUGBBXWCH-RDBSUJKOSA-N 2 0 248.326 1.044 20 0 BDADRP [NH3+]Cc1cccc(O[C@H]2CCC3(C[NH2+]C3)C2)c1 ZINC001218238967 971645964 /nfs/dbraw/zinc/64/59/64/971645964.db2.gz SRMDFCDKSFXDOB-ZDUSSCGKSA-N 2 0 232.327 1.666 20 0 BDADRP C[C@H]([NH3+])c1ccc(O[C@@H]2CCC23C[NH2+]C3)cc1 ZINC001218243732 971650931 /nfs/dbraw/zinc/65/09/31/971650931.db2.gz HRMCAKQHSFMOBI-GXFFZTMASA-N 2 0 232.327 1.837 20 0 BDADRP [NH3+]Cc1cccc(OC2CC3(CC[NH2+]3)C2)c1 ZINC001218245691 971649508 /nfs/dbraw/zinc/64/95/08/971649508.db2.gz FWFRNDJVKULMLK-UHFFFAOYSA-N 2 0 218.300 1.419 20 0 BDADRP c1cc(O[C@@H]2C[C@H]3CC[NH2+][C@H]3C2)cc2c1C[NH2+]C2 ZINC001218253511 971650260 /nfs/dbraw/zinc/65/02/60/971650260.db2.gz XYFZWUBDZMKYJG-KMUNFCNLSA-N 2 0 244.338 1.809 20 0 BDADRP c1cc2c(c(O[C@@H]3C[C@H]4CC[NH2+][C@H]4C3)c1)C[NH2+]C2 ZINC001218251112 971651586 /nfs/dbraw/zinc/65/15/86/971651586.db2.gz QOCNBWHRPUQESV-QKCSRTOESA-N 2 0 244.338 1.809 20 0 BDADRP CC1(C)[C@@H]2C[C@H]([NH2+][C@@H]3CCC[C@@H]3[NH3+])C[C@@H]21 ZINC001170737884 971683960 /nfs/dbraw/zinc/68/39/60/971683960.db2.gz CKWVJZLHGMBUEL-KZZRWZIVSA-N 2 0 208.349 1.890 20 0 BDADRP C[C@@H](C[NH3+])CN(C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172119215 974379824 /nfs/dbraw/zinc/37/98/24/974379824.db2.gz WDSUHVXXQMHMSL-IGQOVBAYSA-N 2 0 239.407 1.528 20 0 BDADRP Cc1c(O[C@@H]2C=CC[NH2+]C2)ccc2c1CC[NH2+]C2 ZINC001218330128 971710400 /nfs/dbraw/zinc/71/04/00/971710400.db2.gz BENKEAHIQXJSJU-CYBMUJFWSA-N 2 0 244.338 1.548 20 0 BDADRP CCC=CNc1ccnc(N2CCC([NH3+])CC2)n1 ZINC001170768105 971771662 /nfs/dbraw/zinc/77/16/62/971771662.db2.gz ZAPKZIDXSVTJEE-XVNBXDOJSA-N 2 0 247.346 1.740 20 0 BDADRP C[C@H]1CC[C@H](Oc2ccc3c(n2)CC[NH2+]C3)C[NH2+]1 ZINC001218401002 971777300 /nfs/dbraw/zinc/77/73/00/971777300.db2.gz GECJHXPELSSJBK-JQWIXIFHSA-N 2 0 247.342 1.247 20 0 BDADRP [NH3+][C@@H](C(=O)Nc1ccsc1)C1CC[NH2+]CC1 ZINC001218534932 971855792 /nfs/dbraw/zinc/85/57/92/971855792.db2.gz FJXUAIJPWCDWPY-SNVBAGLBSA-N 2 0 239.344 1.014 20 0 BDADRP CC[C@H](C)C[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222526742 972543939 /nfs/dbraw/zinc/54/39/39/972543939.db2.gz DQHMBMWOKVFREF-JTQLQIEISA-N 2 0 202.317 1.795 20 0 BDADRP C[NH+](C)C1CCC([NH2+]CCCCCO)CC1 ZINC000309925389 971882211 /nfs/dbraw/zinc/88/22/11/971882211.db2.gz VAPHWLLYLFQMLJ-UHFFFAOYSA-N 2 0 228.380 1.611 20 0 BDADRP O=C(Nc1ccc([C@H]2CC[NH2+]C2)cc1)[C@@H]1CC[NH2+]1 ZINC001218995109 971972533 /nfs/dbraw/zinc/97/25/33/971972533.db2.gz OYSWEFKTIPNBPU-AAEUAGOBSA-N 2 0 245.326 1.064 20 0 BDADRP CC[C@@]([NH3+])(CO)Nc1ccc2c(N)cc[nH+]c2c1 ZINC001170862123 971993330 /nfs/dbraw/zinc/99/33/30/971993330.db2.gz GIMHNPNCPVPBQE-ZDUSSCGKSA-N 2 0 246.314 1.286 20 0 BDADRP CC[C@@]([NH3+])(CO)Nc1ccccc1C(C)(C)[NH3+] ZINC001170866662 972001373 /nfs/dbraw/zinc/00/13/73/972001373.db2.gz VVJXBKYQMGTQAI-ZDUSSCGKSA-N 2 0 237.347 1.350 20 0 BDADRP CC[C@H](C)OCC[C@H](C)[NH2+]CCSCC[NH3+] ZINC001172344334 974611787 /nfs/dbraw/zinc/61/17/87/974611787.db2.gz UGUQQGLHWOXRDD-RYUDHWBXSA-N 2 0 248.436 1.862 20 0 BDADRP Cc1cc(N(C)C)[nH+]cc1NCC[C@@H](C)[NH3+] ZINC001170891056 972046989 /nfs/dbraw/zinc/04/69/89/972046989.db2.gz NBKMDFFVAQPNPX-SNVBAGLBSA-N 2 0 222.336 1.605 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc(N2CCCC2)nc1 ZINC001170898105 972056558 /nfs/dbraw/zinc/05/65/58/972056558.db2.gz BPJUFILAZXQZOL-LBPRGKRZSA-N 2 0 249.362 1.117 20 0 BDADRP CC(C)(C)c1nccc(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001170897800 972057104 /nfs/dbraw/zinc/05/71/04/972057104.db2.gz KIYBHOMDBZDESX-VIFPVBQESA-N 2 0 237.351 1.210 20 0 BDADRP Cc1ccc2c(c1)ncnc2N[C@@H]([NH3+])CCC[NH3+] ZINC001170899319 972061159 /nfs/dbraw/zinc/06/11/59/972061159.db2.gz UONODPDUBANCPM-GFCCVEGCSA-N 2 0 245.330 1.374 20 0 BDADRP Cc1c[nH]c2c1cccc2N[C@H]([NH3+])CCC[NH3+] ZINC001170900514 972064565 /nfs/dbraw/zinc/06/45/65/972064565.db2.gz MGLXNKYCBFNHAX-LBPRGKRZSA-N 2 0 232.331 1.912 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1cc(Cl)ccc1F ZINC001170900356 972065971 /nfs/dbraw/zinc/06/59/71/972065971.db2.gz SRGGHYLXBPMOOO-JTQLQIEISA-N 2 0 231.702 1.915 20 0 BDADRP Cc1ccc(N)cc1N[C@H]([NH3+])CCC[NH3+] ZINC001170900857 972067777 /nfs/dbraw/zinc/06/77/77/972067777.db2.gz YRHGLJXGGSSCAN-NSHDSACASA-N 2 0 208.309 1.013 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1cccc2[nH]cc(F)c21 ZINC001170900607 972068498 /nfs/dbraw/zinc/06/84/98/972068498.db2.gz MKXWYSWAQWPWHJ-LLVKDONJSA-N 2 0 236.294 1.743 20 0 BDADRP Cc1cc(N[C@@H]([NH3+])CCC[NH3+])ccc1N ZINC001170901001 972068278 /nfs/dbraw/zinc/06/82/78/972068278.db2.gz SUEMTVPWFGLMRG-LLVKDONJSA-N 2 0 208.309 1.013 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1cccc(C(F)(F)F)n1 ZINC001170900765 972071217 /nfs/dbraw/zinc/07/12/17/972071217.db2.gz XYHAHXZECZZZRZ-QMMMGPOBSA-N 2 0 248.252 1.536 20 0 BDADRP CO/C=C/c1ccc(N[C@H]([NH3+])CCC[NH3+])cc1 ZINC001170902483 972077194 /nfs/dbraw/zinc/07/71/94/972077194.db2.gz DGYMKWPWBXTPKC-FROQITRMSA-N 2 0 235.331 1.739 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1cc[nH+]c(C2CC2)c1 ZINC001170902466 972077900 /nfs/dbraw/zinc/07/79/00/972077900.db2.gz CWNPQDVPACOARB-GFCCVEGCSA-N 3 0 220.320 1.395 20 0 BDADRP CC(C)c1ncc(N[C@@H]([NH3+])CCC[NH3+])cn1 ZINC001170904752 972080103 /nfs/dbraw/zinc/08/01/03/972080103.db2.gz OTZOAWJBDHEEHA-SNVBAGLBSA-N 2 0 223.324 1.036 20 0 BDADRP Cc1nc2c(ncc(N[C@@H]([NH3+])CCC[NH3+])c2C)[nH]1 ZINC001170906777 972080446 /nfs/dbraw/zinc/08/04/46/972080446.db2.gz XMQOQIRRKHSREC-SNVBAGLBSA-N 2 0 248.334 1.010 20 0 BDADRP CCOc1c(F)cccc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170905830 972080530 /nfs/dbraw/zinc/08/05/30/972080530.db2.gz WPRMAOHDOYLCPD-LLVKDONJSA-N 2 0 241.310 1.660 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc2c(c1)NCC2 ZINC001170905146 972080928 /nfs/dbraw/zinc/08/09/28/972080928.db2.gz SUUOVWMVRIADBQ-LBPRGKRZSA-N 2 0 220.320 1.090 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1nccc2ncccc21 ZINC001159779768 972108162 /nfs/dbraw/zinc/10/81/62/972108162.db2.gz KBYJNIHVITXFFA-NSHDSACASA-N 2 0 231.303 1.065 20 0 BDADRP CCCCC[C@H](O)C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246024465 972118292 /nfs/dbraw/zinc/11/82/92/972118292.db2.gz VTNNPVFHXMNDEZ-XQQFMLRXSA-N 2 0 228.380 1.454 20 0 BDADRP CCCC[C@H](O)CN1CCCC[C@@](F)(C[NH3+])C1 ZINC001246019561 972118738 /nfs/dbraw/zinc/11/87/38/972118738.db2.gz FYOIDXUBOYKYQX-QWHCGFSZSA-N 2 0 246.370 1.690 20 0 BDADRP CCOC(=O)CC[C@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC001246077024 972129348 /nfs/dbraw/zinc/12/93/48/972129348.db2.gz SOKVFEQBWAJUEW-NSHDSACASA-N 2 0 242.363 1.579 20 0 BDADRP Cc1cnc(CC[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)nc1 ZINC001246080758 972135577 /nfs/dbraw/zinc/13/55/77/972135577.db2.gz JSRCWWVPUWBMSZ-NWDGAFQWSA-N 2 0 234.347 1.058 20 0 BDADRP C[C@@H]([NH3+])c1nccn1[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246079197 972136003 /nfs/dbraw/zinc/13/60/03/972136003.db2.gz DWWCZYGKBPSNRQ-BBBLOLIVSA-N 2 0 208.309 1.216 20 0 BDADRP C1CC2(C[C@@H]1[NH2+]C1CC[NH2+]CC1)CC[NH2+]CC2 ZINC001246081854 972137141 /nfs/dbraw/zinc/13/71/41/972137141.db2.gz UMWKKPXVLNIWFP-CYBMUJFWSA-N 3 0 237.391 1.250 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](CN[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246095515 972148427 /nfs/dbraw/zinc/14/84/27/972148427.db2.gz BLPFLHFPLATWEM-QSLWVIQJSA-N 2 0 237.391 1.105 20 0 BDADRP C[C@H]1C[NH2+]C[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001246095665 972148772 /nfs/dbraw/zinc/14/87/72/972148772.db2.gz BUXBTUXSBHKJKR-YJBUHQLJSA-N 2 0 238.375 1.532 20 0 BDADRP CC(C)(C)[C@@H]1C[C@H](NCC2(C)C[NH2+]C2)CC[NH2+]1 ZINC001246095220 972149886 /nfs/dbraw/zinc/14/98/86/972149886.db2.gz OWLRRWBQCOKNIA-NEPJUHHUSA-N 2 0 239.407 1.352 20 0 BDADRP COC1CCC([NH2+]C[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC001246109004 972171497 /nfs/dbraw/zinc/17/14/97/972171497.db2.gz IYMWEWCCQFKMTC-FEPKRQSRSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1CN[C@@H]1CCC[N@H+](C)CC1 ZINC001246108506 972171829 /nfs/dbraw/zinc/17/18/29/972171829.db2.gz IIYZXXUWRZSSRD-MELADBBJSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1CN[C@@H]1CCC[NH2+]CC1 ZINC001246104964 972166146 /nfs/dbraw/zinc/16/61/46/972166146.db2.gz AGYOFFQQOXFSPJ-YNEHKIRRSA-N 2 0 225.380 1.106 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1C[NH2+][C@H]1CCOC(C)(C)C1 ZINC001246113508 972177899 /nfs/dbraw/zinc/17/78/99/972177899.db2.gz RCQFPKMFDUOGQV-AGIUHOORSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCC2CC[NH2+]CC2)CC[NH2+]1 ZINC001246112402 972178028 /nfs/dbraw/zinc/17/80/28/972178028.db2.gz SFLFPXDBOMHRCL-YPMHNXCESA-N 3 0 225.380 1.106 20 0 BDADRP C[NH2+]CCC[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246116184 972180652 /nfs/dbraw/zinc/18/06/52/972180652.db2.gz VOMGITLNDWOIID-UHFFFAOYSA-N 3 0 239.407 1.498 20 0 BDADRP C[C@H]1CC[C@H](NC[C@]23CCC[C@H]2C[NH2+]C3)C[NH2+]1 ZINC001246124546 972185371 /nfs/dbraw/zinc/18/53/71/972185371.db2.gz BLXSVGHDUKJSNT-XDQVBPFNSA-N 2 0 237.391 1.106 20 0 BDADRP C1C[C@@H]2[NH2+]CC[C@]2(N[C@@H]2CCCC[NH2+]C2)C1 ZINC001246133568 972190508 /nfs/dbraw/zinc/19/05/08/972190508.db2.gz KMBCIZOYMQKCQB-FRRDWIJNSA-N 2 0 223.364 1.003 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NCCC1=CCCCC1 ZINC001220253749 972197615 /nfs/dbraw/zinc/19/76/15/972197615.db2.gz BITDOSUGTGRNAM-GFCCVEGCSA-N 2 0 239.363 1.059 20 0 BDADRP CNc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC001246172322 972203921 /nfs/dbraw/zinc/20/39/21/972203921.db2.gz OHXADSJXWKFTPK-FZMZJTMJSA-N 2 0 233.359 1.958 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH+]2CCCOCC2)C1 ZINC001208603285 957084707 /nfs/dbraw/zinc/08/47/07/957084707.db2.gz ABFJGWFQJRWMJP-GFCCVEGCSA-N 2 0 212.337 1.051 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH+]2CC[C@@H](O)[C@@H](F)CC2)C1 ZINC001208607279 957086606 /nfs/dbraw/zinc/08/66/06/957086606.db2.gz LHTQJTXXEDVXMC-RWMBFGLXSA-N 2 0 244.354 1.123 20 0 BDADRP CC[N@@H+]1CCN(C[C@H]2CCC[NH+](C)C2)C[C@H]1C ZINC001208612519 957099950 /nfs/dbraw/zinc/09/99/50/957099950.db2.gz BIIRRFQHURZFDU-KGLIPLIRSA-N 2 0 239.407 1.354 20 0 BDADRP CC[NH2+]CCN[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246274035 972254151 /nfs/dbraw/zinc/25/41/51/972254151.db2.gz UQMDRDPWPJNKDL-RYUDHWBXSA-N 2 0 227.396 1.352 20 0 BDADRP CC[N@H+](CCCOC)CCC[NH+](C)C ZINC001209055357 957307091 /nfs/dbraw/zinc/30/70/91/957307091.db2.gz WYYZIJHZEYLCOH-UHFFFAOYSA-N 2 0 202.342 1.297 20 0 BDADRP C[C@H]([NH3+])CC[NH2+]C1CCC2(CC[NH2+]C2)CC1 ZINC001246304263 972264497 /nfs/dbraw/zinc/26/44/97/972264497.db2.gz KUWBYHUFTCVQTG-HIFPTAJRSA-N 3 0 225.380 1.236 20 0 BDADRP COc1cccc(C[C@@H](C)[NH2+]CC[C@H](C)[NH3+])c1 ZINC001246303312 972266194 /nfs/dbraw/zinc/26/61/94/972266194.db2.gz GYKKMHLWKZGJJQ-NWDGAFQWSA-N 2 0 236.359 1.953 20 0 BDADRP CC[C@H]([NH3+])C[NH2+]C1CCC(C(=O)OC)CC1 ZINC001246314794 972274911 /nfs/dbraw/zinc/27/49/11/972274911.db2.gz QASQJWPZQBUELG-YVNMAJEFSA-N 2 0 228.336 1.045 20 0 BDADRP CCOC(=O)C(C)(C)C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC001246313507 972275087 /nfs/dbraw/zinc/27/50/87/972275087.db2.gz FEPFZYMIJSVRSD-QWRGUYRKSA-N 2 0 242.363 1.306 20 0 BDADRP Cc1cc(N)[nH+]cc1Nc1c[nH+]cn1C ZINC001209964922 957586919 /nfs/dbraw/zinc/58/69/19/957586919.db2.gz HRZRHTTWFXZMPI-UHFFFAOYSA-N 2 0 203.249 1.449 20 0 BDADRP C[n+]1ccccc1-n1ccc2cc(C[NH3+])cnc21 ZINC001167301800 957696275 /nfs/dbraw/zinc/69/62/75/957696275.db2.gz XTUHWRHSAXPDJS-UHFFFAOYSA-N 2 0 239.302 1.309 20 0 BDADRP C[C@@H]1CCN(Cc2ccc3c(c2)C[NH2+]C3)CC[NH2+]1 ZINC001210498639 957766241 /nfs/dbraw/zinc/76/62/41/957766241.db2.gz RHVNKSJWNFLDPL-GFCCVEGCSA-N 2 0 245.370 1.474 20 0 BDADRP C[C@@H](C[NH2+][C@H]1CCCNC1)CC(C)(C)CC[NH3+] ZINC001246339197 972298715 /nfs/dbraw/zinc/29/87/15/972298715.db2.gz OWIYIPMNNSUCGQ-OLZOCXBDSA-N 2 0 241.423 1.729 20 0 BDADRP COCCc1cccc(C[NH2+]C2CC[NH2+]CC2)c1 ZINC001246329346 972293707 /nfs/dbraw/zinc/29/37/07/972293707.db2.gz VIVYMIFYRZGZRL-UHFFFAOYSA-N 2 0 248.370 1.717 20 0 BDADRP CCC[C@@H](CCO)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC001246358450 972303449 /nfs/dbraw/zinc/30/34/49/972303449.db2.gz FFSMSIJLNXZKOP-WOPDTQHZSA-N 2 0 214.353 1.268 20 0 BDADRP CC(C)OC1CCC([NH2+][C@H]2CC23C[NH2+]C3)CC1 ZINC001246447927 972320869 /nfs/dbraw/zinc/32/08/69/972320869.db2.gz XVJXYTHXKGCNOI-BPCQOVAHSA-N 2 0 238.375 1.674 20 0 BDADRP CC[C@@]1(CN[C@@H]2CC[NH2+]C(C)(C)C2)CCC[NH2+]1 ZINC001246454188 972322574 /nfs/dbraw/zinc/32/25/74/972322574.db2.gz AHCMIUDMIKVSDX-OCCSQVGLSA-N 2 0 239.407 1.639 20 0 BDADRP C[C@H]1CC([NH2+]CCCNCCC[NH3+])C[C@H](C)C1 ZINC001246452698 972323422 /nfs/dbraw/zinc/32/34/22/972323422.db2.gz LVWXDUIYCQPUSD-CHWSQXEVSA-N 2 0 241.423 1.729 20 0 BDADRP CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)[C@@H](C)[NH3+])CC1 ZINC001221394612 972336049 /nfs/dbraw/zinc/33/60/49/972336049.db2.gz DGNKXWRDPLGQHJ-UTUOFQBUSA-N 2 0 241.379 1.103 20 0 BDADRP CC(C)N(C(=O)[C@@]1(C)CCC[NH2+]1)C(C)(C)C[NH3+] ZINC001221394978 972337401 /nfs/dbraw/zinc/33/74/01/972337401.db2.gz KWZGSFDLPZPAJV-CYBMUJFWSA-N 2 0 241.379 1.103 20 0 BDADRP C[C@@H](C[C@@H]1CCOC1)[NH2+]CC1CC[NH+](C)CC1 ZINC000689834920 958413701 /nfs/dbraw/zinc/41/37/01/958413701.db2.gz JQKDHNJGGPCNDG-JSGCOSHPSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1CC([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)C[C@@H](C)[NH2+]1 ZINC001246478708 972350320 /nfs/dbraw/zinc/35/03/20/972350320.db2.gz XULZOCALWJGMAN-DCQANWLSSA-N 3 0 243.370 1.053 20 0 BDADRP C[C@H](C[NH+]1CCCC1)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000399023518 958481750 /nfs/dbraw/zinc/48/17/50/958481750.db2.gz GITDNEJFVFLLQH-UPJWGTAASA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@H]2C(C)(C)O)CC[NH2+]1 ZINC000707564116 958588958 /nfs/dbraw/zinc/58/89/58/958588958.db2.gz KIWREYDVEYAZHL-UTUOFQBUSA-N 2 0 226.364 1.362 20 0 BDADRP C([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)[C@]12C[C@H]1CCC2 ZINC000693521864 958658379 /nfs/dbraw/zinc/65/83/79/958658379.db2.gz KVLXUHKWYHOAJE-OYFCHPHHSA-N 2 0 232.371 1.763 20 0 BDADRP COc1cccc([C@H](C[NH3+])N[C@@H]2CCC[NH2+]C2)c1 ZINC001246507324 972366891 /nfs/dbraw/zinc/36/68/91/972366891.db2.gz ASVVFGCMSNONIF-OCCSQVGLSA-N 2 0 249.358 1.037 20 0 BDADRP CC[C@@H]1CC(NCC2([NH3+])CCC2)C[C@@H](CC)[NH2+]1 ZINC001246509920 972368825 /nfs/dbraw/zinc/36/88/25/972368825.db2.gz KPUOMGOGRQOFQT-VXGBXAGGSA-N 2 0 239.407 1.767 20 0 BDADRP CO[C@@H]1CC[C@@H]1[N@H+](C)CC1CC[NH2+]CC1 ZINC000724151257 958743669 /nfs/dbraw/zinc/74/36/69/958743669.db2.gz FMWDBTXGVBMVJR-NWDGAFQWSA-N 2 0 212.337 1.095 20 0 BDADRP CC(C)[NH+](C(C)C)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246521249 972376313 /nfs/dbraw/zinc/37/63/13/972376313.db2.gz YKOTYHLJTNXJDL-GFCCVEGCSA-N 2 0 225.380 1.199 20 0 BDADRP C[NH+](C)CC(C)(C)CN1CC[C@H](F)C1 ZINC001207278700 958865304 /nfs/dbraw/zinc/86/53/04/958865304.db2.gz BYHIGLXRUQMIDP-JTQLQIEISA-N 2 0 202.317 1.618 20 0 BDADRP C[C@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CC(C)(C)O1 ZINC000693581599 958869959 /nfs/dbraw/zinc/86/99/59/958869959.db2.gz XYBWPGFKAIFYDK-GARJFASQSA-N 2 0 212.337 1.223 20 0 BDADRP C[NH+](C)CC(C)(C)CN1CC[NH+]2CCC1CC2 ZINC001207282046 958871759 /nfs/dbraw/zinc/87/17/59/958871759.db2.gz DOBSUEOTERVLDB-UHFFFAOYSA-N 2 0 239.407 1.354 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH2+]C[C@H]2COC(C)(C)O2)C1 ZINC000300301602 958887342 /nfs/dbraw/zinc/88/73/42/958887342.db2.gz PFZUQGGVQOFMCT-RYUDHWBXSA-N 2 0 242.363 1.069 20 0 BDADRP CO[C@@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000693585282 958889354 /nfs/dbraw/zinc/88/93/54/958889354.db2.gz LEYVNWCMDSOSHV-WISYIIOYSA-N 2 0 212.337 1.223 20 0 BDADRP C([C@H]1CCC[NH2+]C1)N1CCC[C@@]12CCC[NH2+]C2 ZINC001222230951 972416646 /nfs/dbraw/zinc/41/66/46/972416646.db2.gz HQVXDWROYPLWEC-UONOGXRCSA-N 2 0 237.391 1.204 20 0 BDADRP CCC1(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)COC1 ZINC001222231091 972414713 /nfs/dbraw/zinc/41/47/13/972414713.db2.gz IXKARJDJLAUTND-CQSZACIVSA-N 2 0 238.375 1.631 20 0 BDADRP CO[C@H]1C[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)CC[C@H]1C ZINC000300354909 959376732 /nfs/dbraw/zinc/37/67/32/959376732.db2.gz FIPIVYQXKZEJCS-NDBYEHHHSA-N 2 0 226.364 1.199 20 0 BDADRP C[C@@H]1CC[C@@H](CO)C[N@@H+]1CC1CC[NH2+]CC1 ZINC000708438673 959435884 /nfs/dbraw/zinc/43/58/84/959435884.db2.gz JTCFSEJADAWCRQ-DGCLKSJQSA-N 2 0 226.364 1.079 20 0 BDADRP [NH3+]C1CC[NH+](CCC2SCCS2)CC1 ZINC000693853716 959438447 /nfs/dbraw/zinc/43/84/47/959438447.db2.gz CCVVDOBEDVLLDG-UHFFFAOYSA-N 2 0 232.418 1.606 20 0 BDADRP CC(C)OCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405351471 959446731 /nfs/dbraw/zinc/44/67/31/959446731.db2.gz OKTGMWMTTPZUKO-MNOVXSKESA-N 2 0 212.337 1.271 20 0 BDADRP C[C@@H]1[C@@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CO[C@H]1C ZINC000405562677 959459771 /nfs/dbraw/zinc/45/97/71/959459771.db2.gz ARABXHXDVHKTKV-QNSTZXKLSA-N 2 0 238.375 1.626 20 0 BDADRP [NH3+]CCCCCCNC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001327134521 972431361 /nfs/dbraw/zinc/43/13/61/972431361.db2.gz NKPGCBUKFIKJIE-NEPJUHHUSA-N 2 0 241.379 1.139 20 0 BDADRP CC[C@H]([NH3+])CN1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222264852 972432074 /nfs/dbraw/zinc/43/20/74/972432074.db2.gz IPJUUFVTDQLJCQ-STQMWFEESA-N 2 0 225.380 1.189 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@H]2CO[C@@H](C)[C@H]2C)CC1 ZINC000405683022 959489626 /nfs/dbraw/zinc/48/96/26/959489626.db2.gz VGLOWSQEUVDODV-DYEKYZERSA-N 2 0 240.391 1.872 20 0 BDADRP [NH3+]C[C@H]1C[N@H+](C[C@H]2CCCOC2)CCC1(F)F ZINC000708501084 959524493 /nfs/dbraw/zinc/52/44/93/959524493.db2.gz AWODCCGLOKSNFO-MNOVXSKESA-N 2 0 248.317 1.329 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](CCc2cccc(F)c2)C1 ZINC000053031255 959569811 /nfs/dbraw/zinc/56/98/11/959569811.db2.gz YYHYZGWPCDUQJT-CYBMUJFWSA-N 2 0 236.334 1.910 20 0 BDADRP C[NH2+][C@H]1C[C@@H](OCCC[C@@H]2CCC[NH2+]C2)C1 ZINC001217767050 959581750 /nfs/dbraw/zinc/58/17/50/959581750.db2.gz IXLMZOJHJLPXCG-RWMBFGLXSA-N 2 0 226.364 1.533 20 0 BDADRP [NH3+][C@H]1CC[C@H](CO[C@@H]2C[NH2+]CCC[C@H]2F)CC1 ZINC001217773631 959586627 /nfs/dbraw/zinc/58/66/27/959586627.db2.gz JSRKTTFQJKXZTL-FDYHWXHSSA-N 2 0 244.354 1.611 20 0 BDADRP C[C@@H]1[NH2+]C[C@H]1OCCCCC1CC[NH2+]CC1 ZINC001217909124 959743063 /nfs/dbraw/zinc/74/30/63/959743063.db2.gz RMVXNCVWSGWCSE-WCQYABFASA-N 2 0 226.364 1.533 20 0 BDADRP c1cc2c(cc1O[C@@H]1C[C@H]3C[NH2+]C[C@H]31)CC[NH2+]C2 ZINC001218323897 959979793 /nfs/dbraw/zinc/97/97/93/959979793.db2.gz FDXDNTINAVEVNS-NWANDNLSSA-N 2 0 244.338 1.319 20 0 BDADRP CCOC(C)(C)C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000708875796 960003663 /nfs/dbraw/zinc/00/36/63/960003663.db2.gz DCOQTIBUIFDGLD-WDEREUQCSA-N 2 0 214.353 1.328 20 0 BDADRP C([C@H]1CCCC[NH2+]1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222421566 972472987 /nfs/dbraw/zinc/47/29/87/972472987.db2.gz NBKYUDURSVXQEA-ZIAGYGMSSA-N 2 0 237.391 1.347 20 0 BDADRP CC[NH+](CC)C1CCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000040924214 960083270 /nfs/dbraw/zinc/08/32/70/960083270.db2.gz YZWAZXQNLHKKHK-UHFFFAOYSA-N 2 0 241.379 1.057 20 0 BDADRP Cc1cncc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c1 ZINC000310181553 960175566 /nfs/dbraw/zinc/17/55/66/960175566.db2.gz XHSSSTZLXTVGJO-ZDUSSCGKSA-N 2 0 233.359 1.951 20 0 BDADRP c1cc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c[nH]1 ZINC001140704568 960516259 /nfs/dbraw/zinc/51/62/59/960516259.db2.gz WSYRDLVYPJFMNE-UHFFFAOYSA-N 2 0 242.326 1.732 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCC2CCOCC2)CC[NH2+]1 ZINC000709375011 960536307 /nfs/dbraw/zinc/53/63/07/960536307.db2.gz LTAMWKBWWZZCOI-WCQYABFASA-N 2 0 226.364 1.533 20 0 BDADRP COC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709442353 960610683 /nfs/dbraw/zinc/61/06/83/960610683.db2.gz AIWIWCUPNWANIS-ZACCUICWSA-N 2 0 212.337 1.284 20 0 BDADRP CCOCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709447706 960616119 /nfs/dbraw/zinc/61/61/19/960616119.db2.gz LXMRINQOUGGJRZ-FOSCPWQOSA-N 2 0 212.337 1.286 20 0 BDADRP [NH3+]CCC[C@H]([NH2+]C[C@H]1C[C@H](O)C1)c1ccccc1 ZINC000925729733 960847239 /nfs/dbraw/zinc/84/72/39/960847239.db2.gz LKIYEHOXMAGUSW-QEJZJMRPSA-N 2 0 248.370 1.827 20 0 BDADRP CC[C@H](CCC(=O)OC)C[N@@H+]1CCC[NH2+]CC1 ZINC001204654958 960985410 /nfs/dbraw/zinc/98/54/10/960985410.db2.gz JXFWZMGZOWTGAH-GFCCVEGCSA-N 2 0 242.363 1.261 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CC(CO)C1 ZINC001167826204 961159905 /nfs/dbraw/zinc/15/99/05/961159905.db2.gz PERBCHXQJFCQEQ-LBPRGKRZSA-N 2 0 228.380 1.421 20 0 BDADRP [NH2+]=C(NCCCC[NH3+])Nc1cnc2c(c1)CCC2 ZINC001167878742 961440435 /nfs/dbraw/zinc/44/04/35/961440435.db2.gz OVDWMYVXUFFFKL-UHFFFAOYSA-N 2 0 247.346 1.245 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000250598273 961464481 /nfs/dbraw/zinc/46/44/81/961464481.db2.gz JHMUZKBZONZGNM-ZLMOABSSSA-N 2 0 238.375 1.769 20 0 BDADRP Nc1cccc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c1 ZINC001206631849 962126897 /nfs/dbraw/zinc/12/68/97/962126897.db2.gz AZQCJQFJOSRSJR-ZDUSSCGKSA-N 2 0 233.359 1.830 20 0 BDADRP Nc1ncccc1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206632906 962144457 /nfs/dbraw/zinc/14/44/57/962144457.db2.gz QQWLENKAAFLSKR-LLVKDONJSA-N 2 0 234.347 1.225 20 0 BDADRP C[C@@H]1C[C@@H](CNc2cccc(N(C)C)[nH+]2)C[NH2+]1 ZINC001155095591 962976502 /nfs/dbraw/zinc/97/65/02/962976502.db2.gz QQJRVVJZMKBXSN-GHMZBOCLSA-N 2 0 234.347 1.558 20 0 BDADRP Cc1cc[nH+]c(NC[C@H]2C[NH2+][C@H](C)C2)c1 ZINC001155094973 962976596 /nfs/dbraw/zinc/97/65/96/962976596.db2.gz GLFDIRIRWDUCIH-GHMZBOCLSA-N 2 0 205.305 1.800 20 0 BDADRP Nc1cccc(NC[C@@]2(F)CCCC[NH2+]C2)[nH+]1 ZINC001155114413 962981031 /nfs/dbraw/zinc/98/10/31/962981031.db2.gz BTPCFUYURZPMND-GFCCVEGCSA-N 2 0 238.310 1.558 20 0 BDADRP Nc1cc[nH+]c(N[C@H]2C[NH2+]Cc3ccsc32)c1 ZINC001155559947 963109316 /nfs/dbraw/zinc/10/93/16/963109316.db2.gz SKHRQEVAWYLXOC-JTQLQIEISA-N 2 0 246.339 1.982 20 0 BDADRP CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001271093467 963357796 /nfs/dbraw/zinc/35/77/96/963357796.db2.gz OOIQUAFLODYPPT-NWDGAFQWSA-N 2 0 243.395 1.029 20 0 BDADRP Cc1cnc(NC(=[NH2+])NCCCC[NH3+])c(F)c1 ZINC001157094897 963532994 /nfs/dbraw/zinc/53/29/94/963532994.db2.gz YRQSJTCNNJYSEK-UHFFFAOYSA-N 2 0 239.298 1.204 20 0 BDADRP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCO1 ZINC001168076654 963618637 /nfs/dbraw/zinc/61/86/37/963618637.db2.gz ZBTCGFHPWPIASL-YHQUGGNUSA-N 2 0 238.375 1.769 20 0 BDADRP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C[NH3+])CCO1 ZINC001168090170 963681496 /nfs/dbraw/zinc/68/14/96/963681496.db2.gz BFWMPMUNXKSAAL-SMDDNHRTSA-N 2 0 234.343 1.802 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@@H+]2C)CCO1 ZINC001168093787 963697302 /nfs/dbraw/zinc/69/73/02/963697302.db2.gz XSROZSUXWIDVPT-YNEHKIRRSA-N 2 0 226.364 1.628 20 0 BDADRP COC[C@@H]1CCC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000697089180 963720280 /nfs/dbraw/zinc/72/02/80/963720280.db2.gz VCAWIBLSFDXSGE-ZIAGYGMSSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@H]1CCCCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001157781705 963724991 /nfs/dbraw/zinc/72/49/91/963724991.db2.gz UDPVJKJDBBTLSH-RYUDHWBXSA-N 2 0 241.379 1.091 20 0 BDADRP C[NH+](C)[C@H]1CCCC[C@@H]1Nc1cc(C[NH3+])ncn1 ZINC001157797145 963728146 /nfs/dbraw/zinc/72/81/46/963728146.db2.gz MYPFVNQXWWWCNR-RYUDHWBXSA-N 2 0 249.362 1.220 20 0 BDADRP CN(C)c1cccc(N2CC[C@](F)(C[NH3+])C2)[nH+]1 ZINC001157809996 963733337 /nfs/dbraw/zinc/73/33/37/963733337.db2.gz VMNWATWKVKBFEQ-LBPRGKRZSA-N 2 0 238.310 1.025 20 0 BDADRP C[C@@H]1CN(c2cc(C[NH+](C)C)ccn2)C[C@@H](C)[NH2+]1 ZINC001158187335 963823565 /nfs/dbraw/zinc/82/35/65/963823565.db2.gz YVCPKUBPSLVDHU-VXGBXAGGSA-N 2 0 248.374 1.330 20 0 BDADRP C[C@H]1C[C@@H]([NH+]2CCC3(C[NH+](C)C3)CC2)CCO1 ZINC001168135923 963831439 /nfs/dbraw/zinc/83/14/39/963831439.db2.gz HYKLVLUXKRKXJD-STQMWFEESA-N 2 0 238.375 1.582 20 0 BDADRP Cc1cc2[nH]ccc2c(N2CC[N@@H+]3CC[C@H]3C2)[nH+]1 ZINC001158435270 963874753 /nfs/dbraw/zinc/87/47/53/963874753.db2.gz XKAATKLJAHYKFO-NSHDSACASA-N 2 0 242.326 1.766 20 0 BDADRP Nc1cccc(NCC[C@H]2CCC[NH2+]2)[nH+]1 ZINC001158628664 963898027 /nfs/dbraw/zinc/89/80/27/963898027.db2.gz INYYNAWYKFPFEV-SECBINFHSA-N 2 0 206.293 1.218 20 0 BDADRP CC(C)[N@H+](C)[C@H]1CCN(Cc2cncn2C)C1 ZINC001204386722 963923736 /nfs/dbraw/zinc/92/37/36/963923736.db2.gz YRAULHBRVZQGLF-LBPRGKRZSA-N 2 0 236.363 1.335 20 0 BDADRP c1cc2c[nH+]c(N3CC[NH2+]C4(CC4)C3)cc2[nH]1 ZINC001158933047 963959717 /nfs/dbraw/zinc/95/97/17/963959717.db2.gz IYRBVNUXQCZKIL-UHFFFAOYSA-N 2 0 228.299 1.505 20 0 BDADRP CC1CCC(NC(=[NH2+])NCCCC[NH3+])CC1 ZINC001168201394 963967572 /nfs/dbraw/zinc/96/75/72/963967572.db2.gz SZRIKJKLOZDPAB-UHFFFAOYSA-N 2 0 226.368 1.418 20 0 BDADRP COc1cc[nH+]c(N2CCC3(C[NH2+]C3)CC2)c1 ZINC001159039828 963981383 /nfs/dbraw/zinc/98/13/83/963981383.db2.gz PQOUGRVAJSFVIH-UHFFFAOYSA-N 2 0 233.315 1.280 20 0 BDADRP CN(c1cc2[nH]ccc2c[nH+]1)C(C)(C)C[NH3+] ZINC001159051788 963983111 /nfs/dbraw/zinc/98/31/11/963983111.db2.gz RHRGSWSHKJSCOU-UHFFFAOYSA-N 2 0 218.304 1.736 20 0 BDADRP Nc1cc(NC=CC2CC[NH2+]CC2)cc[nH+]1 ZINC001159114360 964004760 /nfs/dbraw/zinc/00/47/60/964004760.db2.gz WEHQFACVXSKBMM-XVNBXDOJSA-N 2 0 218.304 1.589 20 0 BDADRP Cn1ccc2c1cc[nH+]c2NCC1C[NH+](C)C1 ZINC001159219275 964021293 /nfs/dbraw/zinc/02/12/93/964021293.db2.gz ZAPSUNNRWMWPLM-UHFFFAOYSA-N 2 0 230.315 1.547 20 0 BDADRP C[NH+]1CC(CNc2[nH+]ccc3[nH]ccc32)C1 ZINC001159216114 964021963 /nfs/dbraw/zinc/02/19/63/964021963.db2.gz CXHQGRYPEGFIED-UHFFFAOYSA-N 2 0 216.288 1.536 20 0 BDADRP C[C@H]([NH3+])c1ccc(N[C@H]2C[NH2+]CC[C@H]2F)cn1 ZINC001168232808 964022829 /nfs/dbraw/zinc/02/28/29/964022829.db2.gz DAOXPOVGQHFWSY-XRNSZHNASA-N 2 0 238.310 1.213 20 0 BDADRP C(=Nc1cc([C@H]2CCC[NH2+]2)no1)C1CC[NH2+]CC1 ZINC001159304777 964056194 /nfs/dbraw/zinc/05/61/94/964056194.db2.gz BZOCAOPMWQAIAG-LLVKDONJSA-N 2 0 248.330 1.778 20 0 BDADRP Cc1[nH+]c(NCCN(C)CC[NH3+])cc2[nH]ccc21 ZINC001159438280 964096023 /nfs/dbraw/zinc/09/60/23/964096023.db2.gz UCNUTKBHXIJUHV-UHFFFAOYSA-N 2 0 247.346 1.174 20 0 BDADRP [NH3+]Cc1ccccc1NC1=C[NH2+]CCC1 ZINC001159735139 964169344 /nfs/dbraw/zinc/16/93/44/964169344.db2.gz OKDKIMIYLDHNMP-UHFFFAOYSA-N 2 0 203.289 1.782 20 0 BDADRP C(Nc1cccc2c1C[NH2+]C2)=C1CC[NH2+]CC1 ZINC001159766538 964186851 /nfs/dbraw/zinc/18/68/51/964186851.db2.gz AOVZCNUQLLOEMY-UHFFFAOYSA-N 2 0 229.327 1.969 20 0 BDADRP C[C@@H]([NH3+])CCNc1nccc(C2CC[NH2+]CC2)n1 ZINC001159772864 964188254 /nfs/dbraw/zinc/18/82/54/964188254.db2.gz NYQZALLFOQXUGA-SNVBAGLBSA-N 2 0 249.362 1.093 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1cnc2ccc(F)cc2n1 ZINC001159783980 964195008 /nfs/dbraw/zinc/19/50/08/964195008.db2.gz FXYXFWQCDZAAJW-LLVKDONJSA-N 2 0 249.293 1.205 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1cccc(C2CC2)n1 ZINC001159787876 964198870 /nfs/dbraw/zinc/19/88/70/964198870.db2.gz CUHHEUSGROCZHK-LLVKDONJSA-N 2 0 220.320 1.395 20 0 BDADRP CC(C)(C)c1cc(N[C@H]([NH3+])CCC[NH3+])ncn1 ZINC001159786536 964199879 /nfs/dbraw/zinc/19/98/79/964199879.db2.gz CZCSUYIYTZIZCB-JTQLQIEISA-N 2 0 237.351 1.210 20 0 BDADRP CCc1cc(Cl)nc(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001159789583 964202526 /nfs/dbraw/zinc/20/25/26/964202526.db2.gz VULNCIDYXCGBFW-VIFPVBQESA-N 2 0 243.742 1.128 20 0 BDADRP [NH3+][C@H]1Cc2ccc(NC3=C[NH2+]CCC3)cc2C1 ZINC001159832219 964209901 /nfs/dbraw/zinc/20/99/01/964209901.db2.gz GEAHKDQPNQGIGU-LBPRGKRZSA-N 2 0 229.327 1.749 20 0 BDADRP [NH3+]C1CN(c2cccc(NC3=C[NH2+]CCC3)c2)C1 ZINC001159988613 964234606 /nfs/dbraw/zinc/23/46/06/964234606.db2.gz AQNDWDUQNBKFIO-UHFFFAOYSA-N 2 0 244.342 1.471 20 0 BDADRP CC(C)([NH3+])CNc1cc2[nH]ccc2c[nH+]1 ZINC001160025494 964238903 /nfs/dbraw/zinc/23/89/03/964238903.db2.gz SZWUTXRPSYYKDW-UHFFFAOYSA-N 2 0 204.277 1.712 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@H]2CCCC(=O)C2)CC1 ZINC001168303900 964396680 /nfs/dbraw/zinc/39/66/80/964396680.db2.gz FSIPJLVVFBTBDR-CPCZMJQVSA-N 2 0 238.375 1.961 20 0 BDADRP C[NH+](C)C1CCC([NH2+]C(C)(C)C(C)(C)O)CC1 ZINC001168304894 964402576 /nfs/dbraw/zinc/40/25/76/964402576.db2.gz AAFXLAXHOXECIA-UHFFFAOYSA-N 2 0 242.407 1.998 20 0 BDADRP Cc1ncncc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168312257 964413390 /nfs/dbraw/zinc/41/33/90/964413390.db2.gz NELJOCKCYRMRGV-UHFFFAOYSA-N 2 0 248.374 1.747 20 0 BDADRP C[NH+](C)C1CCC([NH2+]C[C@@H](F)C(C)(C)O)CC1 ZINC001168312038 964416725 /nfs/dbraw/zinc/41/67/25/964416725.db2.gz HWXBSXWJNOBVOO-HTAVTVPLSA-N 2 0 246.370 1.558 20 0 BDADRP CC(C)[NH+]1CC(Nc2ccc3[nH]c(N)[nH+]c3c2)C1 ZINC001168313657 964417162 /nfs/dbraw/zinc/41/71/62/964417162.db2.gz BHTRYYHEIOEPBJ-UHFFFAOYSA-N 2 0 245.330 1.650 20 0 BDADRP C[NH+](C)C1CCC([NH+]2CC(C)(CO)C2)CC1 ZINC001168313378 964421464 /nfs/dbraw/zinc/42/14/64/964421464.db2.gz ASXITISBOFJBCN-UHFFFAOYSA-N 2 0 226.364 1.173 20 0 BDADRP C[NH+](C)C1CCC([NH+]2CC(C3COC3)C2)CC1 ZINC001168315874 964424112 /nfs/dbraw/zinc/42/41/12/964424112.db2.gz PHTUZEQCZHDPSG-UHFFFAOYSA-N 2 0 238.375 1.437 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2CCC[C@@H](CO)C2)CC1 ZINC001168316095 964435446 /nfs/dbraw/zinc/43/54/46/964435446.db2.gz VRKHPWJGGUIWCN-IYXRBSQSSA-N 2 0 240.391 1.564 20 0 BDADRP Cc1c[nH+]c(N[C@@H](C[NH3+])C(C)(C)C)cc1N ZINC001160914352 964445388 /nfs/dbraw/zinc/44/53/88/964445388.db2.gz LVTIPVOBGIUWND-JTQLQIEISA-N 2 0 222.336 1.758 20 0 BDADRP COC(=O)[C@@H](C)[N@H+](C)C1CCC([NH+](C)C)CC1 ZINC001168324785 964446394 /nfs/dbraw/zinc/44/63/94/964446394.db2.gz XFKRVRHEDREPLT-VOMCLLRMSA-N 2 0 242.363 1.353 20 0 BDADRP CC[N@H+](CCC(N)=O)C1CCC([NH+](C)C)CC1 ZINC001168323211 964447581 /nfs/dbraw/zinc/44/75/81/964447581.db2.gz VBFHCVSADBFIKX-UHFFFAOYSA-N 2 0 241.379 1.057 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+]CC[C@H](C)[NH+](C)C)C12CCC2 ZINC000697824311 964537598 /nfs/dbraw/zinc/53/75/98/964537598.db2.gz BQYQKKRVHQIBOP-RWMBFGLXSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]([NH3+])c1ccn(C2CC[NH+](CC3CC3)CC2)n1 ZINC001168360642 964575212 /nfs/dbraw/zinc/57/52/12/964575212.db2.gz UVQJHVNRTAGXPP-LLVKDONJSA-N 2 0 248.374 1.950 20 0 BDADRP CCOC[C@@H](C)[NH2+]CC[C@H](C)[NH+](C)C ZINC000697864753 964589359 /nfs/dbraw/zinc/58/93/59/964589359.db2.gz AWCLOMGKCJJAAI-MNOVXSKESA-N 2 0 202.342 1.341 20 0 BDADRP C[NH+]1CCC(CO[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001224453548 964653780 /nfs/dbraw/zinc/65/37/80/964653780.db2.gz LKVDDFZTXFXZKP-CQSZACIVSA-N 2 0 238.375 1.439 20 0 BDADRP C[NH+](C)CCNc1cccc2c1CC[C@H]2[NH3+] ZINC001161671064 964678246 /nfs/dbraw/zinc/67/82/46/964678246.db2.gz HWUDBRMOWKVZEV-GFCCVEGCSA-N 2 0 219.332 1.606 20 0 BDADRP CCON1CCC([NH2+]CCCC[NH+](C)C)CC1 ZINC000323523090 964714366 /nfs/dbraw/zinc/71/43/66/964714366.db2.gz URUJZBKJZNKDDF-UHFFFAOYSA-N 2 0 243.395 1.334 20 0 BDADRP C[C@H]([NH3+])c1ccc(NCCCC[NH+](C)C)cn1 ZINC001161736774 964722955 /nfs/dbraw/zinc/72/29/55/964722955.db2.gz UEZWDXHKOYAKQV-NSHDSACASA-N 2 0 236.363 1.855 20 0 BDADRP [NH3+]Cc1cn(-c2cccc3c2CC[C@H]3[NH3+])cn1 ZINC001162304796 964921607 /nfs/dbraw/zinc/92/16/07/964921607.db2.gz SJXYYIJKUXXPNL-GFCCVEGCSA-N 2 0 228.299 1.277 20 0 BDADRP [NH3+][C@H]1CCC[C@@H](Nc2ccc3c([nH+]2)NCCO3)C1 ZINC001162404533 964962057 /nfs/dbraw/zinc/96/20/57/964962057.db2.gz NZFDAHVNQPMNOM-VHSXEESVSA-N 2 0 248.330 1.568 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC[C@@H]2C[C@H](F)C[NH2+]2)cn1 ZINC001162481181 964995072 /nfs/dbraw/zinc/99/50/72/964995072.db2.gz LEXYPXMHEPPENK-QXEWZRGKSA-N 2 0 238.310 1.213 20 0 BDADRP C1=C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000698205080 965105871 /nfs/dbraw/zinc/10/58/71/965105871.db2.gz NMYDZAAWFJFNCH-YNEHKIRRSA-N 2 0 206.333 1.921 20 0 BDADRP CCOc1cc[nH+]c(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)c1 ZINC001162791448 965176235 /nfs/dbraw/zinc/17/62/35/965176235.db2.gz BLCPIJUINDXCGC-CYZMBNFOSA-N 2 0 245.326 1.666 20 0 BDADRP Cc1[nH]c2ccc(N[C@@H]3COC[C@@H]3[NH3+])cc2[nH+]1 ZINC001162920938 965209579 /nfs/dbraw/zinc/20/95/79/965209579.db2.gz GACPRKORYFJIBM-JOYOIKCWSA-N 2 0 232.287 1.009 20 0 BDADRP CC(C)([NH3+])c1ccccc1N[C@@H]1COC[C@@H]1[NH3+] ZINC001162926252 965212573 /nfs/dbraw/zinc/21/25/73/965212573.db2.gz OQCQNUKUZKVSQA-CMPLNLGQSA-N 2 0 235.331 1.018 20 0 BDADRP Cn1c[nH+]cc1N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001162984407 965216955 /nfs/dbraw/zinc/21/69/55/965216955.db2.gz KLSJPSPBTRFXFO-GXSJLCMTSA-N 2 0 206.293 1.117 20 0 BDADRP C[C@H]([NH3+])c1ccc(N[C@H]2C[NH+]3CCC2CC3)cn1 ZINC001163394477 965395032 /nfs/dbraw/zinc/39/50/32/965395032.db2.gz FRGZRGNGGKLMJM-HZMBPMFUSA-N 2 0 246.358 1.607 20 0 BDADRP C[NH2+]CCN(C)c1ccc(C[NH+]2CCCC2)cn1 ZINC001163722356 965537471 /nfs/dbraw/zinc/53/74/71/965537471.db2.gz JTVLGNFKDCVLIX-UHFFFAOYSA-N 2 0 248.374 1.333 20 0 BDADRP [NH3+][C@H](Cc1ccccc1)CN1CCC[C@H]([NH3+])CC1 ZINC001205094599 965728509 /nfs/dbraw/zinc/72/85/09/965728509.db2.gz NEPYURKWBFMFDT-LSDHHAIUSA-N 2 0 247.386 1.370 20 0 BDADRP CN(C)c1ccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)cn1 ZINC001205101192 965801630 /nfs/dbraw/zinc/80/16/30/965801630.db2.gz BFKHSXUWGQXSRZ-ZDUSSCGKSA-N 2 0 248.374 1.461 20 0 BDADRP C[C@]1(C[NH3+])CCCN(c2cc(N)cc[nH+]2)CC1 ZINC001164242646 965809499 /nfs/dbraw/zinc/80/94/99/965809499.db2.gz NMPWZZFDOXZYMT-ZDUSSCGKSA-N 2 0 234.347 1.619 20 0 BDADRP [NH3+][C@@H]1CCC[N@H+](Cc2ccc3c(c2)CCN3)CC1 ZINC001205117784 965872189 /nfs/dbraw/zinc/87/21/89/965872189.db2.gz VGMVNBUKKHBPFO-CQSZACIVSA-N 2 0 245.370 1.968 20 0 BDADRP C[C@@H]1CC[C@H](C[NH3+])CN1c1cc(N)cc[nH+]1 ZINC001164456333 965891664 /nfs/dbraw/zinc/89/16/64/965891664.db2.gz LCNMCLWTYQVLGN-NXEZZACHSA-N 2 0 220.320 1.227 20 0 BDADRP C[C@H]1CC[C@@H](C[NH3+])CN1c1cccc(N)[nH+]1 ZINC001164460899 965893413 /nfs/dbraw/zinc/89/34/13/965893413.db2.gz FZVSWUDKRTYJHR-UWVGGRQHSA-N 2 0 220.320 1.227 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2COC[C@H]2CC)C1 ZINC000699485282 965912594 /nfs/dbraw/zinc/91/25/94/965912594.db2.gz OEBKMRWOZVLXID-MCIONIFRSA-N 2 0 240.391 1.733 20 0 BDADRP CC[C@@H]1COC[C@@H]1[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000699529045 965940759 /nfs/dbraw/zinc/94/07/59/965940759.db2.gz ABGFJNWIVJOOBN-LPWJVIDDSA-N 2 0 226.364 1.484 20 0 BDADRP CC[C@H]1COC[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000699536335 965952381 /nfs/dbraw/zinc/95/23/81/965952381.db2.gz WZEMDHYFXJAHQP-STQMWFEESA-N 2 0 226.364 1.343 20 0 BDADRP [NH3+]CC1(F)CCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC001165261594 966012175 /nfs/dbraw/zinc/01/21/75/966012175.db2.gz AINYDFUSRUIJCF-UHFFFAOYSA-N 2 0 248.305 1.830 20 0 BDADRP CC(C)(C)c1c[nH]c(CN(CC[NH3+])CC[NH3+])c1 ZINC001235879926 966125742 /nfs/dbraw/zinc/12/57/42/966125742.db2.gz GZUPWWPIIYIAPI-UHFFFAOYSA-N 2 0 238.379 1.032 20 0 BDADRP CC(C)CC[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165788509 966159802 /nfs/dbraw/zinc/15/98/02/966159802.db2.gz OVPZSLKKNFIFPP-UHFFFAOYSA-N 2 0 243.395 1.080 20 0 BDADRP CC(C)N(CC[NH3+])C[C@H]([NH3+])Cc1ccccc1 ZINC001235948601 966180023 /nfs/dbraw/zinc/18/00/23/966180023.db2.gz QZUUJJJEDSPTLH-CQSZACIVSA-N 2 0 235.375 1.226 20 0 BDADRP COC1CCC(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)CC1 ZINC001235976832 966193640 /nfs/dbraw/zinc/19/36/40/966193640.db2.gz CCNWZIROQHIWGS-YIOUJQMASA-N 2 0 238.375 1.615 20 0 BDADRP OC[C@@H]1CCCCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000253172188 966212610 /nfs/dbraw/zinc/21/26/10/966212610.db2.gz JRCSPFCDEYIWIL-STQMWFEESA-N 2 0 226.364 1.223 20 0 BDADRP CS[C@H](C)CC[NH+]1CC(C)(C[NH3+])C1 ZINC001206712141 966259626 /nfs/dbraw/zinc/25/96/26/966259626.db2.gz SRDJAGCIZIEHKP-SECBINFHSA-N 2 0 202.367 1.409 20 0 BDADRP CC1(C[NH3+])C[NH+](CC2Cc3ccccc3C2)C1 ZINC001206711845 966259844 /nfs/dbraw/zinc/25/98/44/966259844.db2.gz PBXXWCORIMFOKP-UHFFFAOYSA-N 2 0 230.355 1.682 20 0 BDADRP C[C@H]1CN(C[C@H]([NH3+])Cc2ccccc2)[C@@H](C)C[NH2+]1 ZINC001236079546 966264342 /nfs/dbraw/zinc/26/43/42/966264342.db2.gz WTZHTUJGFQZRIN-KCQAQPDRSA-N 2 0 247.386 1.239 20 0 BDADRP CN(Cc1ccc(C[NH3+])cc1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236216650 966314513 /nfs/dbraw/zinc/31/45/13/966314513.db2.gz LEEMBQQYGJUQEM-LSDHHAIUSA-N 2 0 247.386 1.847 20 0 BDADRP C[NH+](C)CC1(CN2C[C@@H]3C[NH2+]C[C@@H]32)CCCC1 ZINC001236283254 966330216 /nfs/dbraw/zinc/33/02/16/966330216.db2.gz IHXZHWBJXZUZOP-STQMWFEESA-N 2 0 237.391 1.012 20 0 BDADRP CCc1n[nH]cc1CN1C[C@@H]2C[N@H+](CC)C[C@@H]2C1 ZINC001237655993 966687992 /nfs/dbraw/zinc/68/79/92/966687992.db2.gz SGBJVXIHHFRZKL-BETUJISGSA-N 2 0 248.374 1.356 20 0 BDADRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2ccsc2)CC1 ZINC001205211542 966852100 /nfs/dbraw/zinc/85/21/00/966852100.db2.gz VXCYIJMXTYQKRS-GFCCVEGCSA-N 2 0 240.372 1.424 20 0 BDADRP C/C=C(\NC=[NH2+])N1C[C@@H](CC[NH3+])c2ccccc21 ZINC001168545443 966854912 /nfs/dbraw/zinc/85/49/12/966854912.db2.gz OVOLIKIWRDMUBM-XKSIBAGESA-N 2 0 244.342 1.997 20 0 BDADRP Cc1ncccc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001204089074 966890526 /nfs/dbraw/zinc/89/05/26/966890526.db2.gz KCFIULGDQYITSN-RRFJBIMHSA-N 2 0 245.370 1.820 20 0 BDADRP C[NH+](C)CCNc1cccc(C[NH+](C)C)n1 ZINC000060023720 967102781 /nfs/dbraw/zinc/10/27/81/967102781.db2.gz CTQMPZJCKDQLLQ-UHFFFAOYSA-N 2 0 222.336 1.117 20 0 BDADRP CC(=O)OC(C)(C)CCCN1CCC[NH2+]CC1 ZINC001204654888 967117651 /nfs/dbraw/zinc/11/76/51/967117651.db2.gz AMYSWPIEWYIANX-UHFFFAOYSA-N 2 0 242.363 1.404 20 0 BDADRP [NH3+]CCCC[N@@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001204847775 967195514 /nfs/dbraw/zinc/19/55/14/967195514.db2.gz GGKCXOXTESALEV-VIFPVBQESA-N 2 0 224.270 1.795 20 0 BDADRP C[C@]1([NH3+])CCN(Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC001204801908 967175473 /nfs/dbraw/zinc/17/54/73/967175473.db2.gz WOTASRZOVMVMMM-AWEZNQCLSA-N 2 0 231.343 1.213 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C2CCC([NH+](C)C)CC2)CC[NH2+]1 ZINC000715568701 967181787 /nfs/dbraw/zinc/18/17/87/967181787.db2.gz IXQHHNKHHIOLSG-NELGMTEASA-N 3 0 239.407 1.589 20 0 BDADRP CC1(C[N@@H+]2CCCC[C@@H]2CN)CC[NH2+]CC1 ZINC001204918339 967236187 /nfs/dbraw/zinc/23/61/87/967236187.db2.gz CMQLNDHXILAJOJ-GFCCVEGCSA-N 2 0 225.380 1.189 20 0 BDADRP COc1cnccc1C[NH+]1CCC(C[NH3+])CC1 ZINC001205033856 967295506 /nfs/dbraw/zinc/29/55/06/967295506.db2.gz XBROVKRJCKAMIT-UHFFFAOYSA-N 2 0 235.331 1.261 20 0 BDADRP [NH3+]CC1CC[NH+](C[C@@H]2CCC=CO2)CC1 ZINC001205026471 967295786 /nfs/dbraw/zinc/29/57/86/967295786.db2.gz PVJDJLPPXGINDF-LBPRGKRZSA-N 2 0 210.321 1.350 20 0 BDADRP COC1CCC(C[NH+]2CCC(C[NH3+])CC2)CC1 ZINC001205026194 967296592 /nfs/dbraw/zinc/29/65/92/967296592.db2.gz NIURRCVSSUHOIU-UHFFFAOYSA-N 2 0 240.391 1.862 20 0 BDADRP Cc1cc(O)cc(C[NH+]2CCC(C[NH3+])CC2)c1 ZINC001205047198 967303037 /nfs/dbraw/zinc/30/30/37/967303037.db2.gz QVYDXACCKOSMHN-UHFFFAOYSA-N 2 0 234.343 1.871 20 0 BDADRP COc1cccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)c1N ZINC001205116644 967364443 /nfs/dbraw/zinc/36/44/43/967364443.db2.gz FJZRJEHZZHJQOB-LBPRGKRZSA-N 2 0 249.358 1.591 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccc3[nH]cnc3c2)C[C@H]1C[NH3+] ZINC001205136119 967380243 /nfs/dbraw/zinc/38/02/43/967380243.db2.gz PDHPRFHWHSFVII-CMPLNLGQSA-N 2 0 244.342 1.590 20 0 BDADRP Cc1ccc(O)cc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205150368 967397277 /nfs/dbraw/zinc/39/72/77/967397277.db2.gz ALHLSXSHVJVQMQ-WCQYABFASA-N 2 0 234.343 1.727 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccc3c(c2)NCC3)C[C@H]1C[NH3+] ZINC001205155887 967402737 /nfs/dbraw/zinc/40/27/37/967402737.db2.gz HBIKIIWKGQDHJW-SMDDNHRTSA-N 2 0 245.370 1.681 20 0 BDADRP Cc1ccncc1C[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205228350 967429477 /nfs/dbraw/zinc/42/94/77/967429477.db2.gz DHQJSUZQKIOWOX-CQSZACIVSA-N 2 0 249.358 1.066 20 0 BDADRP C[C@]1([NH3+])CCCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC001205255528 967446012 /nfs/dbraw/zinc/44/60/12/967446012.db2.gz JYDSDLQNJUVLAH-OLZOCXBDSA-N 2 0 225.380 1.189 20 0 BDADRP C[C@@]1([NH3+])CCC[N@H+](C[C@H]2CCOC2)CC1 ZINC001205255102 967447837 /nfs/dbraw/zinc/44/78/37/967447837.db2.gz GUAFFOIYJTZTRQ-VXGBXAGGSA-N 2 0 212.337 1.226 20 0 BDADRP C[NH+](C)CCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001250157827 967448347 /nfs/dbraw/zinc/44/83/47/967448347.db2.gz BPGMGKJIWOQSSP-UHFFFAOYSA-N 2 0 247.386 1.543 20 0 BDADRP C[C@@H]1CC[NH2+]CCN1Cc1ccc(C[NH3+])cc1 ZINC001205325605 967545441 /nfs/dbraw/zinc/54/54/41/967545441.db2.gz PKSWZLJCXDRPML-GFCCVEGCSA-N 2 0 233.359 1.329 20 0 BDADRP CCOc1ccnc(C[NH+]2CCC(C[NH3+])CC2)c1 ZINC001205046295 967599514 /nfs/dbraw/zinc/59/95/14/967599514.db2.gz BRULTUWBXVJUME-UHFFFAOYSA-N 2 0 249.358 1.651 20 0 BDADRP CCOC(=O)CC[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205546352 967687200 /nfs/dbraw/zinc/68/72/00/967687200.db2.gz UIAYSBPAYVKRKL-GFCCVEGCSA-N 2 0 246.326 1.093 20 0 BDADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2cnoc2)CC1 ZINC001205545500 967693187 /nfs/dbraw/zinc/69/31/87/967693187.db2.gz IEZMRSAEURCNMW-NSHDSACASA-N 2 0 227.283 1.328 20 0 BDADRP Cc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)[nH]n1 ZINC001205603031 967716888 /nfs/dbraw/zinc/71/68/88/967716888.db2.gz NAUANJDNHJGTHH-JQWIXIFHSA-N 2 0 236.363 1.525 20 0 BDADRP C[C@H]1CC[N@H+](CCCCC[NH3+])CC[C@@H]1C[NH3+] ZINC001205602800 967717751 /nfs/dbraw/zinc/71/77/51/967717751.db2.gz MOUGQKVKWIXZKG-QWHCGFSZSA-N 3 0 227.396 1.422 20 0 BDADRP C[C@H]1CC[N@H+](Cc2cncnc2)CC[C@H]1C[NH3+] ZINC001205618968 967731186 /nfs/dbraw/zinc/73/11/86/967731186.db2.gz ZSHQUAWXYNETGC-AAEUAGOBSA-N 2 0 234.347 1.283 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2ccns2)CC[C@H]1C[NH3+] ZINC001205637899 967735638 /nfs/dbraw/zinc/73/56/38/967735638.db2.gz JUFNEAMZLPJNKB-MNOVXSKESA-N 2 0 239.388 1.950 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2cc[nH]c2)CC[C@H]1C[NH3+] ZINC001205627224 967737899 /nfs/dbraw/zinc/73/78/99/967737899.db2.gz NYSDRROPXXMONT-YPMHNXCESA-N 2 0 221.348 1.822 20 0 BDADRP Cc1cnc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)nc1 ZINC001205654547 967741382 /nfs/dbraw/zinc/74/13/82/967741382.db2.gz XEDIUVCVCSHLFN-OLZOCXBDSA-N 2 0 248.374 1.592 20 0 BDADRP CCC[N@H+](CCC[NH+](C)C)C[C@@H](C)OC ZINC001205697036 967783979 /nfs/dbraw/zinc/78/39/79/967783979.db2.gz RTVQFBRNZPQXAH-GFCCVEGCSA-N 2 0 216.369 1.685 20 0 BDADRP [NH3+]CCc1ccccc1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001162402442 967828416 /nfs/dbraw/zinc/82/84/16/967828416.db2.gz RRVADSDZSWCQCV-OLZOCXBDSA-N 2 0 233.359 1.870 20 0 BDADRP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001205903498 967879700 /nfs/dbraw/zinc/87/97/00/967879700.db2.gz PRTJJPDRACVHGJ-MGPQQGTHSA-N 3 0 239.407 1.435 20 0 BDADRP C[C@@H]1[C@@H](C[NH3+])CCCN1C[C@@H]1CCCC[NH2+]1 ZINC001205902581 967880301 /nfs/dbraw/zinc/88/03/01/967880301.db2.gz KRBJXOLSTQDZMU-UPJWGTAASA-N 2 0 225.380 1.188 20 0 BDADRP N[C@@H]1CCCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC001205923964 967888155 /nfs/dbraw/zinc/88/81/55/967888155.db2.gz RJOGAUHKFOGHCG-CYBMUJFWSA-N 2 0 225.380 1.189 20 0 BDADRP C[C@H]1C[N@H+](CC2CCOCC2)CCC[C@@H]1C[NH3+] ZINC001205981130 967920871 /nfs/dbraw/zinc/92/08/71/967920871.db2.gz BUYCPSSMAKVLLK-GXTWGEPZSA-N 2 0 240.391 1.720 20 0 BDADRP Cc1cncc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)n1 ZINC001205983913 967932474 /nfs/dbraw/zinc/93/24/74/967932474.db2.gz PYGCIIGLUWMDHC-WCQYABFASA-N 2 0 248.374 1.592 20 0 BDADRP [NH3+][C@@H]1CC[N@H+](Cc2cccc3c2CCC3)C[C@H]1O ZINC001205985622 967934023 /nfs/dbraw/zinc/93/40/23/967934023.db2.gz YZRCRMNGBFWCOF-HUUCEWRRSA-N 2 0 246.354 1.069 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cnoc2)CCC[C@@H]1C[NH3+] ZINC001205996378 967948520 /nfs/dbraw/zinc/94/85/20/967948520.db2.gz WPTJUUYPYWGMND-ZYHUDNBSSA-N 2 0 223.320 1.481 20 0 BDADRP C[C@H]1C[N@H+](Cc2c[nH]ccc2=O)CCC[C@H]1C[NH3+] ZINC001206026261 967983404 /nfs/dbraw/zinc/98/34/04/967983404.db2.gz RDNGAVFNEYZMEQ-RYUDHWBXSA-N 2 0 249.358 1.182 20 0 BDADRP CC[C@H](CO)[N@H+](C)CC1CC[NH+](CC)CC1 ZINC001206042671 968009068 /nfs/dbraw/zinc/00/90/68/968009068.db2.gz ZKVYAEHZWFXKRO-CYBMUJFWSA-N 2 0 228.380 1.421 20 0 BDADRP C[C@@H]1CN(Cc2ccc(N(C)C)s2)C[C@H]1[NH3+] ZINC001206058503 968025234 /nfs/dbraw/zinc/02/52/34/968025234.db2.gz AGILVRXUHWJPJB-MWLCHTKSSA-N 2 0 239.388 1.593 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@H]3CCC[C@H]32)C1 ZINC000693566960 968078665 /nfs/dbraw/zinc/07/86/65/968078665.db2.gz FFEZJLLNEHGDRK-FVCCEPFGSA-N 2 0 208.349 1.988 20 0 BDADRP [NH3+][C@@H]1CCN(Cc2cccnc2)CC[C@H]1F ZINC001206167073 968105200 /nfs/dbraw/zinc/10/52/00/968105200.db2.gz WUULHLMQCZHEBI-VXGBXAGGSA-N 2 0 223.295 1.343 20 0 BDADRP C[C@H]1C[NH2+]CCCN1C[C@@H]([NH3+])c1ccccc1 ZINC001206258466 968177917 /nfs/dbraw/zinc/17/79/17/968177917.db2.gz ZWHGFKIVPCJGGO-GXTWGEPZSA-N 2 0 233.359 1.370 20 0 BDADRP C[C@H]1C[NH2+]CCCN1Cc1ccc(C[NH3+])cc1 ZINC001206262766 968183794 /nfs/dbraw/zinc/18/37/94/968183794.db2.gz FZLSCWDDIBXGQL-LBPRGKRZSA-N 2 0 233.359 1.329 20 0 BDADRP CC[C@H](N)C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206292474 968201420 /nfs/dbraw/zinc/20/14/20/968201420.db2.gz BNOCSKNLORPQQW-RYUDHWBXSA-N 2 0 213.369 1.175 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@H+](CC2CC[NH2+]CC2)CC1 ZINC001206296221 968203025 /nfs/dbraw/zinc/20/30/25/968203025.db2.gz QJYUMMYDDGLYGG-AWEZNQCLSA-N 3 0 239.407 1.437 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2cc[nH]c(=O)c2)CC1 ZINC001206304254 968210201 /nfs/dbraw/zinc/21/02/01/968210201.db2.gz INQANNNFKWMODI-AWEZNQCLSA-N 2 0 249.358 1.738 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2ccc[nH]c2=O)CC1 ZINC001206305139 968213942 /nfs/dbraw/zinc/21/39/42/968213942.db2.gz UNMYFBRMBCOROT-AWEZNQCLSA-N 2 0 249.358 1.738 20 0 BDADRP Cc1cc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)no1 ZINC001206305069 968216241 /nfs/dbraw/zinc/21/62/41/968216241.db2.gz SKMMFJFSYHZZCG-CYBMUJFWSA-N 2 0 237.347 1.934 20 0 BDADRP Cn1ccc2c1cc[nH+]c2N1CC(C)([NH+](C)C)C1 ZINC001165118622 968263925 /nfs/dbraw/zinc/26/39/25/968263925.db2.gz WLVBWZHJMBCULA-UHFFFAOYSA-N 2 0 244.342 1.714 20 0 BDADRP CN(C)c1cc[nH+]c(N2CCC[C@@H]3[NH2+]C[C@H]32)c1 ZINC001165390928 968285959 /nfs/dbraw/zinc/28/59/59/968285959.db2.gz MFGQMPXLQUPAIH-NWDGAFQWSA-N 2 0 232.331 1.088 20 0 BDADRP CC[C@@H](O)C[N@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001251773978 968319201 /nfs/dbraw/zinc/31/92/01/968319201.db2.gz BGOALRVXZFCOJG-CQSZACIVSA-N 2 0 242.407 1.810 20 0 BDADRP Cc1cc(C)c(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(C)c1 ZINC001206464772 968323588 /nfs/dbraw/zinc/32/35/88/968323588.db2.gz SJHHEYAYJYAXBF-DZGCQCFKSA-N 2 0 248.370 1.363 20 0 BDADRP [NH3+]CCCCC[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206606044 968416680 /nfs/dbraw/zinc/41/66/80/968416680.db2.gz BJWJVDRGWRSRLC-LBPRGKRZSA-N 2 0 213.369 1.176 20 0 BDADRP Nc1cc[nH+]cc1CN1CCCC[C@@H](C[NH3+])C1 ZINC001206615483 968419943 /nfs/dbraw/zinc/41/99/43/968419943.db2.gz FODGPISLKLNMGH-NSHDSACASA-N 2 0 234.347 1.055 20 0 BDADRP CC(C)[N@@H+]1CC[C@H]([NH2+]C[C@H](C)O)[C@@H](C)C1 ZINC001251978148 968420541 /nfs/dbraw/zinc/42/05/41/968420541.db2.gz NMYLLKMHWZXZIE-SRVKXCTJSA-N 2 0 214.353 1.076 20 0 BDADRP CC[N@H+](C)Cc1ccc(CN2CCOCC2)cc1 ZINC001206674068 968431706 /nfs/dbraw/zinc/43/17/06/968431706.db2.gz PYXJVZNMQFSBFR-UHFFFAOYSA-N 2 0 248.370 1.971 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC001206709062 968436238 /nfs/dbraw/zinc/43/62/38/968436238.db2.gz BGQOTHNZBDJKFC-CQSZACIVSA-N 2 0 240.391 1.972 20 0 BDADRP [NH3+]CC1(c2ccccc2)CC[NH+](CCCO)CC1 ZINC001206744509 968450491 /nfs/dbraw/zinc/45/04/91/968450491.db2.gz IQAKLSGTIYYRPI-UHFFFAOYSA-N 2 0 248.370 1.361 20 0 BDADRP Cc1cnc(C[N@H+](C)CC2CC[NH+](C)CC2)cn1 ZINC001207077388 968608810 /nfs/dbraw/zinc/60/88/10/968608810.db2.gz LOIUTNCWJPZCHN-UHFFFAOYSA-N 2 0 248.374 1.559 20 0 BDADRP Nc1[nH+]ccn1-c1cccc(C2=CCC[NH2+]C2)c1 ZINC001240671444 968633466 /nfs/dbraw/zinc/63/34/66/968633466.db2.gz XHXTVXACIIORAT-UHFFFAOYSA-N 2 0 240.310 1.831 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CC[C@]3(CCCO3)C2)CC1 ZINC001207394870 968751315 /nfs/dbraw/zinc/75/13/15/968751315.db2.gz NZFCIXJMNFRFDC-CQSZACIVSA-N 2 0 238.375 1.583 20 0 BDADRP C[C@H]1CC[N@H+](CC2CC[NH2+]CC2)CC[C@H]1O ZINC001207436541 968769008 /nfs/dbraw/zinc/76/90/08/968769008.db2.gz NKPGRTHOFDYJAK-WCQYABFASA-N 2 0 226.364 1.079 20 0 BDADRP Cc1nc2c(o1)CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001207443557 968772605 /nfs/dbraw/zinc/77/26/05/968772605.db2.gz VQFILWIGHKDQNA-UHFFFAOYSA-N 2 0 235.331 1.341 20 0 BDADRP CC(C)[C@@H]1COCC[N@@H+]1CC1CC[NH2+]CC1 ZINC001207438733 968774405 /nfs/dbraw/zinc/77/44/05/968774405.db2.gz GCIDYCOTVZGFRL-ZDUSSCGKSA-N 2 0 226.364 1.343 20 0 BDADRP C[C@H]1C[N@H+](CC2CC[NH2+]CC2)C2(CC2)C1 ZINC001207441176 968776497 /nfs/dbraw/zinc/77/64/97/968776497.db2.gz VGFZUMFPCDFFEJ-LLVKDONJSA-N 2 0 208.349 1.860 20 0 BDADRP C[NH+]1CCC(CC[N@@H+]2C[C@H](F)C[C@H]2CO)CC1 ZINC001207479411 968795412 /nfs/dbraw/zinc/79/54/12/968795412.db2.gz IILJHAAICOZAMP-OLZOCXBDSA-N 2 0 244.354 1.123 20 0 BDADRP C[NH+]1CCC(CC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC001207481448 968797019 /nfs/dbraw/zinc/79/70/19/968797019.db2.gz HICSHIRVBFFATO-CYBMUJFWSA-N 2 0 226.364 1.175 20 0 BDADRP COC[C@@H]1CC[N@@H+]1CCC1CC[NH+](C)CC1 ZINC001207488868 968803921 /nfs/dbraw/zinc/80/39/21/968803921.db2.gz QZDSZJLRGPWHIQ-ZDUSSCGKSA-N 2 0 226.364 1.439 20 0 BDADRP C[N@H+]1C[C@@H]2C[NH+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)C[C@@H]2C1 ZINC001207629912 968843398 /nfs/dbraw/zinc/84/33/98/968843398.db2.gz OWLMHHHXZNVKBJ-AIEDFZFUSA-N 2 0 232.371 1.692 20 0 BDADRP COC1CC(C[NH2+]C[C@H]2C[NH+]3CCC2CC3)C1 ZINC001207724293 968867636 /nfs/dbraw/zinc/86/76/36/968867636.db2.gz WCBKOCFHQUOZEW-QRMWWUJWSA-N 2 0 238.375 1.343 20 0 BDADRP CC[NH+]1CCC(C[NH2+]C2CC(CCO)C2)CC1 ZINC001207752499 968874753 /nfs/dbraw/zinc/87/47/53/968874753.db2.gz BIAXTUIOQKGSTI-UHFFFAOYSA-N 2 0 240.391 1.469 20 0 BDADRP CCC[C@H](O)C[N@H+](CCC)CCC[NH+](C)C ZINC001252789975 968968877 /nfs/dbraw/zinc/96/88/77/968968877.db2.gz QFIDZRGAJZDVAL-ZDUSSCGKSA-N 2 0 230.396 1.811 20 0 BDADRP CC[C@H](CSC)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405299095 968975897 /nfs/dbraw/zinc/97/58/97/968975897.db2.gz INCXDMZLJUPIFE-OUAUKWLOSA-N 2 0 228.405 1.988 20 0 BDADRP CCC[C@H](O)C[NH2+]CC1CC[NH+](CC)CC1 ZINC001252798565 968981916 /nfs/dbraw/zinc/98/19/16/968981916.db2.gz BUJGQOMVEKBYMK-ZDUSSCGKSA-N 2 0 228.380 1.469 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]C2CCOCC2)C12CCC2 ZINC000405459179 968991353 /nfs/dbraw/zinc/99/13/53/968991353.db2.gz IJKQPNSFZJWSIU-GHMZBOCLSA-N 2 0 210.321 1.025 20 0 BDADRP C[C@@H]1CC[N@H+](CC2(C)CC[NH+](C)CC2)C[C@H]1O ZINC001208105737 969001039 /nfs/dbraw/zinc/00/10/39/969001039.db2.gz BEMXSTPROZBCHE-CHWSQXEVSA-N 2 0 240.391 1.421 20 0 BDADRP C[C@@H]1CC[C@@H](O)C[N@@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208107861 969002188 /nfs/dbraw/zinc/00/21/88/969002188.db2.gz LFBHICNUAYQHBG-CHWSQXEVSA-N 2 0 240.391 1.564 20 0 BDADRP COC[C@H]1CCC[N@@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208107924 969002362 /nfs/dbraw/zinc/00/23/62/969002362.db2.gz NHAFFUUOHWDUCT-CYBMUJFWSA-N 2 0 240.391 1.829 20 0 BDADRP CC1(C)C[C@@H]1C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405532521 969003918 /nfs/dbraw/zinc/00/39/18/969003918.db2.gz YRSFIORMFREKMA-GMTAPVOTSA-N 2 0 208.349 1.892 20 0 BDADRP C[NH+](C)CCN1CCCC[C@H]1C[NH+]1CCCC1 ZINC001208126964 969021510 /nfs/dbraw/zinc/02/15/10/969021510.db2.gz NMVBRKZULMEGKC-AWEZNQCLSA-N 2 0 239.407 1.498 20 0 BDADRP C[N@@H+]1CCC=C(c2ccc(C[NH3+])nc2)C1 ZINC001241570288 969063259 /nfs/dbraw/zinc/06/32/59/969063259.db2.gz GISVEKGIWPIEHX-UHFFFAOYSA-N 2 0 203.289 1.259 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CCOCC2(C)C)CC1 ZINC001208599415 969145748 /nfs/dbraw/zinc/14/57/48/969145748.db2.gz HEMKSOVEAPZULU-UHFFFAOYSA-N 2 0 240.391 1.829 20 0 BDADRP CC[NH+]1CCC(C[N@H+](C)CCF)CC1 ZINC001208604331 969146955 /nfs/dbraw/zinc/14/69/55/969146955.db2.gz LXUCDNJAADGQJL-UHFFFAOYSA-N 2 0 202.317 1.620 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CC[C@H]3OCC[C@H]32)CC1 ZINC001208592004 969148872 /nfs/dbraw/zinc/14/88/72/969148872.db2.gz AOGVNYJYTDHXBR-ZIAGYGMSSA-N 2 0 238.375 1.582 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC001208593592 969152656 /nfs/dbraw/zinc/15/26/56/969152656.db2.gz XLYVICCCAXEHBD-CYBMUJFWSA-N 2 0 240.391 1.829 20 0 BDADRP CC[NH+]1CCC(C[NH+]2CC(C(F)F)C2)CC1 ZINC001208604785 969156369 /nfs/dbraw/zinc/15/63/69/969156369.db2.gz VLSNLENMPPLUPA-UHFFFAOYSA-N 2 0 232.318 1.915 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH+]2CCC3(COC3)CC2)C1 ZINC001208605103 969156393 /nfs/dbraw/zinc/15/63/93/969156393.db2.gz YTWVIPKNJYZIDS-ZDUSSCGKSA-N 2 0 238.375 1.441 20 0 BDADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C1CC(C)(C)C1 ZINC001253407157 969163670 /nfs/dbraw/zinc/16/36/70/969163670.db2.gz FMTXMYVCSOSJLK-NSHDSACASA-N 2 0 228.380 1.514 20 0 BDADRP CO[C@@H]1CCC[N@H+](C[C@H]2CCC[NH+](C)C2)CC1 ZINC001208613445 969171230 /nfs/dbraw/zinc/17/12/30/969171230.db2.gz UGJZPRXRUDXUAP-UONOGXRCSA-N 2 0 240.391 1.829 20 0 BDADRP CC(C)O[C@@H]1CC[N@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208615212 969173675 /nfs/dbraw/zinc/17/36/75/969173675.db2.gz SMRSZLNZFAUNQK-UONOGXRCSA-N 2 0 240.391 1.828 20 0 BDADRP C[N@@H+]1CCC[C@H](CN2CC[NH+]3CCC2CC3)C1 ZINC001208618328 969175279 /nfs/dbraw/zinc/17/52/79/969175279.db2.gz WNGKQECECLIRPD-ZDUSSCGKSA-N 2 0 237.391 1.108 20 0 BDADRP CC(C)O[C@H]1CC[N@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208618201 969178772 /nfs/dbraw/zinc/17/87/72/969178772.db2.gz SMRSZLNZFAUNQK-KBPBESRZSA-N 2 0 240.391 1.828 20 0 BDADRP [NH3+]CCN(CC[NH3+])Cc1sccc1Cl ZINC000388690365 969199743 /nfs/dbraw/zinc/19/97/43/969199743.db2.gz LOFZVUIGYVWQRX-UHFFFAOYSA-N 2 0 233.768 1.121 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CSC1)C2 ZINC001169098204 969392805 /nfs/dbraw/zinc/39/28/05/969392805.db2.gz GSRFCMIQAZNOCQ-UIKWRGBMSA-N 2 0 212.362 1.317 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H]1CC(C)(C)O1)C2 ZINC001169097541 969392887 /nfs/dbraw/zinc/39/28/87/969392887.db2.gz BCTUKMLGMRHLMC-YVECIDJPSA-N 2 0 238.375 1.769 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H]1CC(C)(C)O1)C2 ZINC001169097538 969392992 /nfs/dbraw/zinc/39/29/92/969392992.db2.gz BCTUKMLGMRHLMC-FVCCEPFGSA-N 2 0 238.375 1.769 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@]1(C)C[C@H](O)C1)C2 ZINC001169099994 969393008 /nfs/dbraw/zinc/39/30/08/969393008.db2.gz YSYBBXVEISEZBE-OCQJUQKYSA-N 2 0 224.348 1.115 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1ncccn1)C2 ZINC001169100464 969393528 /nfs/dbraw/zinc/39/35/28/969393528.db2.gz JJUOIQOCARQMRA-XYYAHUGASA-N 2 0 246.358 1.234 20 0 BDADRP CN(CC[NH+](C)C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169122752 969421811 /nfs/dbraw/zinc/42/18/11/969421811.db2.gz CVESVPBXYDGXGN-CLLJXQQHSA-N 2 0 225.380 1.105 20 0 BDADRP COCC1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169126307 969430524 /nfs/dbraw/zinc/43/05/24/969430524.db2.gz RMFQBQYNPZRNCH-CLLJXQQHSA-N 2 0 224.348 1.190 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H](O)CC1)C2 ZINC001169126334 969433423 /nfs/dbraw/zinc/43/34/23/969433423.db2.gz RWCSKXFQTIFRJO-ZOBORPQBSA-N 2 0 238.375 1.458 20 0 BDADRP COCC[N@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169126853 969434450 /nfs/dbraw/zinc/43/44/50/969434450.db2.gz YAAGOCDSPHIPAC-GDNZZTSVSA-N 2 0 212.337 1.190 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCSCC1)C2 ZINC001169129133 969436106 /nfs/dbraw/zinc/43/61/06/969436106.db2.gz GYVFDRNNNNLVKZ-ZSBIGDGJSA-N 2 0 226.389 1.660 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCC(C)(C)O)C2 ZINC001169108673 969446603 /nfs/dbraw/zinc/44/66/03/969446603.db2.gz UYLSHHMWNYXWNY-CLLJXQQHSA-N 2 0 240.391 1.752 20 0 BDADRP COC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CC1 ZINC001169109303 969447778 /nfs/dbraw/zinc/44/77/78/969447778.db2.gz AFNADMDTOBMMOV-CRWXNKLISA-N 2 0 238.375 1.626 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC(C)([NH3+])CC1)C2 ZINC001169106839 969450057 /nfs/dbraw/zinc/45/00/57/969450057.db2.gz AJTHQXIVWQRJCA-ITGUQSILSA-N 2 0 237.391 1.425 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C(C)(C)C(C)(C)O)C2 ZINC001169115735 969452128 /nfs/dbraw/zinc/45/21/28/969452128.db2.gz NQCPPGKFBOCQEX-ZSBIGDGJSA-N 2 0 240.391 1.751 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1C[C@@H]3CCO[C@@H]3C1)C2 ZINC001169143954 969468470 /nfs/dbraw/zinc/46/84/70/969468470.db2.gz GZQIZVMGECFTCH-ODXJTPSBSA-N 2 0 236.359 1.332 20 0 BDADRP CCO[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169155638 969472631 /nfs/dbraw/zinc/47/26/31/969472631.db2.gz TYZJKAQGSPDIGC-XJFOESAGSA-N 2 0 238.375 1.722 20 0 BDADRP CSCC[N@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169153883 969472940 /nfs/dbraw/zinc/47/29/40/969472940.db2.gz LOZMRLVMSGOPEQ-GDNZZTSVSA-N 2 0 228.405 1.906 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](n1ccc3c1CC[NH2+]C3)C2 ZINC001169154744 969475756 /nfs/dbraw/zinc/47/57/56/969475756.db2.gz UCVPOUHEIFJTQH-BTTYYORXSA-N 2 0 245.370 1.932 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[NH+]3CC[C@H]3C1)C2 ZINC001169161973 969479775 /nfs/dbraw/zinc/47/97/75/969479775.db2.gz QZNBGRHYBZGGGW-CRWXNKLISA-N 2 0 235.375 1.002 20 0 BDADRP C[C@@H]1C[C@H]1C[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001209421753 969487452 /nfs/dbraw/zinc/48/74/52/969487452.db2.gz NWGABLHUIIVSIS-KGLIPLIRSA-N 2 0 239.407 1.212 20 0 BDADRP CC[NH+]1CCC(n2ccnc2CC[NH3+])CC1 ZINC001169225415 969493822 /nfs/dbraw/zinc/49/38/22/969493822.db2.gz VPJWCBUUWHHBRV-UHFFFAOYSA-N 2 0 222.336 1.041 20 0 BDADRP CC[NH+]1CCC(N(CCC[NH3+])C(C)C)CC1 ZINC001169221900 969494635 /nfs/dbraw/zinc/49/46/35/969494635.db2.gz SFUMWBPICPLLIN-UHFFFAOYSA-N 2 0 227.396 1.530 20 0 BDADRP CC[NH+]1CCC(N(C(N)=[NH2+])c2ccccc2)CC1 ZINC001169230683 969501374 /nfs/dbraw/zinc/50/13/74/969501374.db2.gz HNQJQMAWGNAHPM-UHFFFAOYSA-N 2 0 246.358 1.871 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@@H]2CC(C)(C)O2)CC1 ZINC001169230435 969501628 /nfs/dbraw/zinc/50/16/28/969501628.db2.gz BLNMOMFNCYYQHN-LBPRGKRZSA-N 2 0 226.364 1.628 20 0 BDADRP CC[NH+]1CCC([NH2+]CCCCCCC[NH3+])CC1 ZINC001169233147 969515792 /nfs/dbraw/zinc/51/57/92/969515792.db2.gz NFAZRMICHSNIEH-UHFFFAOYSA-N 3 0 241.423 1.970 20 0 BDADRP CCC[NH+](CCC)Cc1cn(C[C@@H](C)[NH3+])nn1 ZINC001254162432 969531481 /nfs/dbraw/zinc/53/14/81/969531481.db2.gz LIQKMUBCOMLEPI-LLVKDONJSA-N 2 0 239.367 1.247 20 0 BDADRP CC[NH+]1CCC(N2CC[N@H+](CC)C[C@H]2C)CC1 ZINC001169268602 969553701 /nfs/dbraw/zinc/55/37/01/969553701.db2.gz MOAXFGHTEQPFQQ-CYBMUJFWSA-N 2 0 239.407 1.497 20 0 BDADRP Cc1ccc(C[NH+]2CCC3(C[NH+](C)C3)CC2)[nH]1 ZINC001209579201 969560961 /nfs/dbraw/zinc/56/09/61/969560961.db2.gz UTVVFVCUEVFPHL-UHFFFAOYSA-N 2 0 233.359 1.851 20 0 BDADRP [NH3+]Cc1ccccc1C[NH2+][C@@H]1CCCOC1 ZINC001254367376 969581582 /nfs/dbraw/zinc/58/15/82/969581582.db2.gz CCZHXPLKIHJBSJ-CYBMUJFWSA-N 2 0 220.316 1.414 20 0 BDADRP C[NH+]1CCC(CCC[NH2+][C@@H]2CCCOC2)CC1 ZINC001254367327 969581906 /nfs/dbraw/zinc/58/19/06/969581906.db2.gz ADCYDHFPINLRNR-CQSZACIVSA-N 2 0 240.391 1.877 20 0 BDADRP C[NH+](C)[C@H]1CC[C@H]([NH2+][C@H]2CCCOC2)CC1 ZINC001254372352 969583365 /nfs/dbraw/zinc/58/33/65/969583365.db2.gz RYTRIOGSDLRLIY-AVGNSLFASA-N 2 0 226.364 1.628 20 0 BDADRP Nc1ccncc1C[N@@H+]1CCC[C@@]12CCOC2 ZINC001209736564 969597323 /nfs/dbraw/zinc/59/73/23/969597323.db2.gz FKWIKJZBGUDVMN-ZDUSSCGKSA-N 2 0 233.315 1.249 20 0 BDADRP CCN(Cc1c[nH+]ccc1N)C1CC[NH+](C)CC1 ZINC001209734022 969599839 /nfs/dbraw/zinc/59/98/39/969599839.db2.gz KRSNUKOTQJOZNR-UHFFFAOYSA-N 2 0 248.374 1.410 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+]([C@H]1CCCOC1)CC2 ZINC001254386976 969604250 /nfs/dbraw/zinc/60/42/50/969604250.db2.gz WGOORRSKAJGELJ-LBPRGKRZSA-N 2 0 224.348 1.193 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+](Cc1cnccn1)CC2 ZINC001209789726 969629058 /nfs/dbraw/zinc/62/90/58/969629058.db2.gz WUDCVBFPGOIBGK-UHFFFAOYSA-N 2 0 232.331 1.004 20 0 BDADRP [NH3+]CCCC[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000166793955 969638136 /nfs/dbraw/zinc/63/81/36/969638136.db2.gz MUILXXKTQOSHHQ-UHFFFAOYSA-N 2 0 249.358 1.253 20 0 BDADRP COCC1([NH2+][C@H]2CCC[N@H+](C)CC2)CCC1 ZINC001254500491 969662104 /nfs/dbraw/zinc/66/21/04/969662104.db2.gz IGMDPCIEVXTXDO-LBPRGKRZSA-N 2 0 226.364 1.629 20 0 BDADRP C[C@@H]([NH3+])c1nccn1[C@H]1CCC[N@H+](C)CC1 ZINC001254498391 969663585 /nfs/dbraw/zinc/66/35/85/969663585.db2.gz YKUDECFVGPDMFU-MNOVXSKESA-N 2 0 222.336 1.560 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+]C[C@H]2C[C@@](C)(O)C2)CC1 ZINC001254503318 969667117 /nfs/dbraw/zinc/66/71/17/969667117.db2.gz MCJXXHIBAQTTIJ-UPJWGTAASA-N 2 0 226.364 1.221 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+]C[C@H]2CC(C)(C)O2)CC1 ZINC001254503633 969668075 /nfs/dbraw/zinc/66/80/75/969668075.db2.gz NZKVZHFXDMWUCV-NWDGAFQWSA-N 2 0 226.364 1.628 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+]CCOc2cccnc2)CC1 ZINC001254502601 969668592 /nfs/dbraw/zinc/66/85/92/969668592.db2.gz GYZKGRZGSCQRKZ-CYBMUJFWSA-N 2 0 249.358 1.534 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+]C[C@@H](O)c2ccccn2)CC1 ZINC001254506247 969671461 /nfs/dbraw/zinc/67/14/61/969671461.db2.gz QAFFWPJFXMPVKV-TZMCWYRMSA-N 2 0 249.358 1.189 20 0 BDADRP COC(C)(C[NH2+][C@H]1CCC[N@H+](C)CC1)OC ZINC001254509084 969678109 /nfs/dbraw/zinc/67/81/09/969678109.db2.gz VRSKHHHIOQILTI-NSHDSACASA-N 2 0 230.352 1.069 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+]CCc2ccncn2)CC1 ZINC001254513523 969684016 /nfs/dbraw/zinc/68/40/16/969684016.db2.gz CWODGUMMJHRRML-GFCCVEGCSA-N 2 0 234.347 1.093 20 0 BDADRP C[C@H]1C[C@@H](CO)[N@@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254515761 969690510 /nfs/dbraw/zinc/69/05/10/969690510.db2.gz CHXAKVCOOZCNDG-XQQFMLRXSA-N 2 0 226.364 1.173 20 0 BDADRP CC(=O)N1CC[C@H]([NH2+]CCCCCCC[NH3+])C1 ZINC001169511148 969701533 /nfs/dbraw/zinc/70/15/33/969701533.db2.gz TZVOLMSGEHVNQB-ZDUSSCGKSA-N 2 0 241.379 1.106 20 0 BDADRP CC(C)O[C@H]1CC[N@@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254530576 969725495 /nfs/dbraw/zinc/72/54/95/969725495.db2.gz YUJJXSHIRAHVNY-KBPBESRZSA-N 2 0 240.391 1.970 20 0 BDADRP CC[C@@]12C[C@@H](CO1)[N@@H+]([C@H]1CCC[NH+](C)CC1)C2 ZINC001254530300 969726325 /nfs/dbraw/zinc/72/63/25/969726325.db2.gz WNBZLPQCCRQDRC-IHRRRGAJSA-N 2 0 238.375 1.724 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH+]2C[C@H]3[C@H](CF)[C@H]3C2)CC1 ZINC001254530182 969731626 /nfs/dbraw/zinc/73/16/26/969731626.db2.gz UUSLPJQMXHYPPQ-LPWJVIDDSA-N 2 0 226.339 1.618 20 0 BDADRP C[C@H]1C[N@H+](Cc2cncc(O)c2)CCC[C@@H]1C[NH3+] ZINC001206012763 969737935 /nfs/dbraw/zinc/73/79/35/969737935.db2.gz NPTUJSVRDKUWAF-WCQYABFASA-N 2 0 249.358 1.594 20 0 BDADRP N[C@@H]1C[C@H]1[NH2+]C1CCN(c2ccc(F)cc2)CC1 ZINC001254616756 969747722 /nfs/dbraw/zinc/74/77/22/969747722.db2.gz NTCUOEJWBBNMLY-ZIAGYGMSSA-N 2 0 249.333 1.484 20 0 BDADRP C[C@@H]([NH3+])c1nccn1[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254832953 969796218 /nfs/dbraw/zinc/79/62/18/969796218.db2.gz KWRHMTXZONCQAJ-ZYHUDNBSSA-N 2 0 234.347 1.560 20 0 BDADRP C[N@@H+]1CC[C@@H](CN[C@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254836489 969799194 /nfs/dbraw/zinc/79/91/94/969799194.db2.gz LZWWNUQSCAKIOB-KBPBESRZSA-N 2 0 237.391 1.012 20 0 BDADRP [NH3+]Cc1ccn(-c2cccc3c2CC[C@@H]3[NH3+])c1 ZINC001169726044 969817951 /nfs/dbraw/zinc/81/79/51/969817951.db2.gz PWIVVXXEABFQME-ZDUSSCGKSA-N 2 0 227.311 1.882 20 0 BDADRP C[C@H](C[NH3+])C[N@H+](C)[C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254937232 969824263 /nfs/dbraw/zinc/82/42/63/969824263.db2.gz ZVYUVJCYMOMBOX-WYUUTHIRSA-N 2 0 224.348 1.271 20 0 BDADRP Cc1c(N)cc[nH+]c1-n1ccc(C[NH3+])c1 ZINC001169717192 969831247 /nfs/dbraw/zinc/83/12/47/969831247.db2.gz XGIICLPHCFVPGP-UHFFFAOYSA-N 2 0 202.261 1.222 20 0 BDADRP c1cc(NCC23CC[NH+](CC2)CC3)cc[nH+]1 ZINC001169792935 969861616 /nfs/dbraw/zinc/86/16/16/969861616.db2.gz FXZWYIXMZIDBCS-UHFFFAOYSA-N 2 0 217.316 1.401 20 0 BDADRP CC(C)(C[NH3+])N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001255098839 969934866 /nfs/dbraw/zinc/93/48/66/969934866.db2.gz HCWFBWZJYBHCAH-AWEZNQCLSA-N 2 0 247.386 1.588 20 0 BDADRP C[NH2+]CCNc1cc2[nH]ccc2c(C)[nH+]1 ZINC001156893342 970023888 /nfs/dbraw/zinc/02/38/88/970023888.db2.gz DMQQMKJXHSEADI-UHFFFAOYSA-N 2 0 204.277 1.503 20 0 BDADRP C[NH+](C)[C@H]1CC[C@@H]([NH2+][C@H]2CCSC2)CC1 ZINC001255279432 970032378 /nfs/dbraw/zinc/03/23/78/970032378.db2.gz OOQZCJWWVWWTIA-SDDRHHMPSA-N 2 0 228.405 1.954 20 0 BDADRP Cc1cc2[nH+]ccn2cc1NC[C@@H]1COCC[NH2+]1 ZINC001170042948 970066868 /nfs/dbraw/zinc/06/68/68/970066868.db2.gz GLVUHIHXLZIOOL-LLVKDONJSA-N 2 0 246.314 1.043 20 0 BDADRP c1cc(NC[C@@H]2COCC[NH2+]2)cc(C2CC2)[nH+]1 ZINC001170048359 970084430 /nfs/dbraw/zinc/08/44/30/970084430.db2.gz ZEMKQLFUOXRRIK-GFCCVEGCSA-N 2 0 233.315 1.359 20 0 BDADRP CCCC[C@@H](C)[NH2+]CCN1CCC[N@H+](C)CC1 ZINC001255314893 970084611 /nfs/dbraw/zinc/08/46/11/970084611.db2.gz XDVBGPBQNRETMH-CQSZACIVSA-N 2 0 241.423 1.792 20 0 BDADRP CC(C)CCC[C@H](C)[NH+]1CCN(CC[NH3+])CC1 ZINC001170061689 970125506 /nfs/dbraw/zinc/12/55/06/970125506.db2.gz ZLTBPPUQPMHSMY-AWEZNQCLSA-N 2 0 241.423 1.778 20 0 BDADRP OCC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255377856 970128325 /nfs/dbraw/zinc/12/83/25/970128325.db2.gz LUVPQQYEFXGLEH-HNNXBMFYSA-N 2 0 248.370 1.623 20 0 BDADRP C[N@@H+]1CC[C@H](N2C[C@@H]([NH3+])Cc3ccccc32)C1 ZINC001255412790 970132051 /nfs/dbraw/zinc/13/20/51/970132051.db2.gz SELBLAUHKJADHB-STQMWFEESA-N 2 0 231.343 1.081 20 0 BDADRP CCC[NH+](CCC)CCN[C@H]1CC[N@H+](C)C1 ZINC001255413533 970134167 /nfs/dbraw/zinc/13/41/67/970134167.db2.gz XJYDDPQPPXFDRJ-ZDUSSCGKSA-N 2 0 227.396 1.402 20 0 BDADRP C[N@@H+]1CC[C@@H](n2cc(CC[NH3+])c3ncccc32)C1 ZINC001255417346 970138936 /nfs/dbraw/zinc/13/89/36/970138936.db2.gz KYEBMXWQLPYEKB-GFCCVEGCSA-N 2 0 244.342 1.414 20 0 BDADRP COc1ccc(N[C@H]2CC[N@H+](C)C2)cc1C[NH3+] ZINC001255422484 970148015 /nfs/dbraw/zinc/14/80/15/970148015.db2.gz RFDOGZQZYFXPON-LBPRGKRZSA-N 2 0 235.331 1.270 20 0 BDADRP CN1CC[C@@H]([N@@H+]2CCCC[C@@H](CCC[NH3+])C2)C1 ZINC001255425699 970149458 /nfs/dbraw/zinc/14/94/58/970149458.db2.gz IQRLEZJYUMEBCZ-UONOGXRCSA-N 2 0 239.407 1.532 20 0 BDADRP C[N@@H+]1CCC[C@@H](N2CC[C@H]([NH3+])c3ccccc32)C1 ZINC001255472332 970203535 /nfs/dbraw/zinc/20/35/35/970203535.db2.gz UGGLZQBWUWDNFR-OCCSQVGLSA-N 2 0 245.370 1.991 20 0 BDADRP CN1CCC[C@@H]([NH2+][C@H]2CC[C@H]([NH+](C)C)CC2)C1 ZINC001255478236 970209513 /nfs/dbraw/zinc/20/95/13/970209513.db2.gz UUKXWMUXFBLKLU-MGPQQGTHSA-N 2 0 239.407 1.543 20 0 BDADRP CC[N@@H+]1CCN([C@@H]2CCC[NH+](C)C2)C[C@H]1C ZINC001255493276 970250866 /nfs/dbraw/zinc/25/08/66/970250866.db2.gz AYWGDIRFDWIRLR-CHWSQXEVSA-N 2 0 225.380 1.107 20 0 BDADRP CN1CCC[C@H]([N@@H+]2C[C@H]3CCCN(C)[C@H]3C2)C1 ZINC001255495471 970257732 /nfs/dbraw/zinc/25/77/32/970257732.db2.gz PTLWANKKMPLVCE-RDBSUJKOSA-N 2 0 237.391 1.107 20 0 BDADRP CN1CCC[C@H]([N@H+]2C[C@H]3[C@H](C2)CCCN3C)C1 ZINC001255495469 970261402 /nfs/dbraw/zinc/26/14/02/970261402.db2.gz PTLWANKKMPLVCE-IHRRRGAJSA-N 2 0 237.391 1.107 20 0 BDADRP COC[C@H](C)[NH2+]C1CC[NH+](CC2CCC2)CC1 ZINC001255562621 970346955 /nfs/dbraw/zinc/34/69/55/970346955.db2.gz DUNAMKWFZQJNRD-LBPRGKRZSA-N 2 0 240.391 1.875 20 0 BDADRP C1=C(c2ccc(O[C@H]3CC[NH2+]C3)cc2)C[NH2+]C1 ZINC001243110296 970352258 /nfs/dbraw/zinc/35/22/58/970352258.db2.gz CNWOZUUOHIUPHG-AWEZNQCLSA-N 2 0 230.311 1.414 20 0 BDADRP Nc1[nH]c2cc(C3=CC[NH2+]C3)ccc2[nH+]1 ZINC001243112252 970358965 /nfs/dbraw/zinc/35/89/65/970358965.db2.gz RYQZJGNLWBNZSC-UHFFFAOYSA-N 2 0 200.245 1.132 20 0 BDADRP C[C@H](C[NH3+])CN(C)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255672040 970451182 /nfs/dbraw/zinc/45/11/82/970451182.db2.gz WDSUHVXXQMHMSL-HABKJSAYSA-N 2 0 239.407 1.528 20 0 BDADRP C[C@@H](Cc1ccccc1F)[NH2+]CCOCC[NH3+] ZINC001255831116 970504020 /nfs/dbraw/zinc/50/40/20/970504020.db2.gz JEADXFYXLRCZQL-NSHDSACASA-N 2 0 240.322 1.322 20 0 BDADRP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000400011736 970539353 /nfs/dbraw/zinc/53/93/53/970539353.db2.gz WMEUZJKMIKWSAO-KGLIPLIRSA-N 2 0 238.375 1.175 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N(C)C[C@H](C)C[NH3+] ZINC001255950745 970564153 /nfs/dbraw/zinc/56/41/53/970564153.db2.gz KRESHEUEMIUUAD-CHWSQXEVSA-N 2 0 229.412 1.633 20 0 BDADRP COC[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)C1CC1 ZINC000400384338 970585023 /nfs/dbraw/zinc/58/50/23/970585023.db2.gz LJFWPAOYOVPZRI-GXFFZTMASA-N 2 0 226.364 1.389 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@@H]2CCOC2)CC[C@@H]1C[NH3+] ZINC000400565735 970603511 /nfs/dbraw/zinc/60/35/11/970603511.db2.gz NVHIDDVEIKNTEV-JHJVBQTASA-N 2 0 226.364 1.330 20 0 BDADRP [NH3+]Cc1ccc(NC2CC[NH+](C3CC3)CC2)cn1 ZINC001256071484 970637481 /nfs/dbraw/zinc/63/74/81/970637481.db2.gz ZWLIDKWIZPFJND-UHFFFAOYSA-N 2 0 246.358 1.579 20 0 BDADRP C1CC1N1CCC([N@@H+]2C[C@@H]3C[C@@H]3C2)CC1 ZINC001256076123 970647611 /nfs/dbraw/zinc/64/76/11/970647611.db2.gz UQDTYALKRYLMIJ-PHIMTYICSA-N 2 0 206.333 1.565 20 0 BDADRP C1=CO[C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000400922922 970647959 /nfs/dbraw/zinc/64/79/59/970647959.db2.gz GKYZNFGLPFEGRR-RQJABVFESA-N 2 0 236.359 1.657 20 0 BDADRP CCCNc1cc(C)[nH+]c(NCC2C[NH+](C)C2)n1 ZINC001170249314 970652463 /nfs/dbraw/zinc/65/24/63/970652463.db2.gz CMTZBRYFQOHQTF-UHFFFAOYSA-N 2 0 249.362 1.580 20 0 BDADRP C[NH+]1CC(CNc2ccc(C3([NH3+])CC3)cc2)C1 ZINC001170253800 970663200 /nfs/dbraw/zinc/66/32/00/970663200.db2.gz CKSVVUDDBIWRPA-UHFFFAOYSA-N 2 0 231.343 1.608 20 0 BDADRP C[NH+]1CCC(n2c(C[NH3+])nc3cnccc32)CC1 ZINC001256201304 970696254 /nfs/dbraw/zinc/69/62/54/970696254.db2.gz DCQLWQGFXODDNQ-UHFFFAOYSA-N 2 0 245.330 1.157 20 0 BDADRP CSCC[N@H+](C)C1CCN(C)CC1 ZINC001256211017 970717575 /nfs/dbraw/zinc/71/75/75/970717575.db2.gz PWASUZCFXZNQMI-UHFFFAOYSA-N 2 0 202.367 1.375 20 0 BDADRP [NH3+]C[C@H]1CCCCN1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246544398 972621449 /nfs/dbraw/zinc/62/14/49/972621449.db2.gz VMYKEKRPOVOXQQ-DAAZQVBGSA-N 2 0 223.364 1.083 20 0 BDADRP CCC[C@H](C)[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246545279 972631522 /nfs/dbraw/zinc/63/15/22/972631522.db2.gz VSBLVIOPFPMDQG-NWDGAFQWSA-N 2 0 214.353 1.351 20 0 BDADRP c1nc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n[nH]1 ZINC001327562247 972640294 /nfs/dbraw/zinc/64/02/94/972640294.db2.gz KKIWOSHTZMRBQC-NWDGAFQWSA-N 2 0 249.362 1.016 20 0 BDADRP C[C@H](Cc1cccnc1)N1CC[C@@H]([NH3+])[C@H]1C ZINC001246549388 972697623 /nfs/dbraw/zinc/69/76/23/972697623.db2.gz KTZKPRRMWFYNFO-NQBHXWOUSA-N 2 0 219.332 1.434 20 0 BDADRP C[NH2+]C[C@H]1CCCN([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246549900 972702920 /nfs/dbraw/zinc/70/29/20/972702920.db2.gz KXSPNYLKJLWUGK-JHJVBQTASA-N 2 0 225.380 1.058 20 0 BDADRP [NH3+][C@@H]1CCC[N@@H+]([C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001246550973 972721258 /nfs/dbraw/zinc/72/12/58/972721258.db2.gz ZNIUGIKXECLFAR-XQHKEYJVSA-N 2 0 236.359 1.557 20 0 BDADRP C[C@]1([NH3+])CCC[N@@H+]([C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001246553883 972744154 /nfs/dbraw/zinc/74/41/54/972744154.db2.gz TVHNJENLXVBIGG-LOWDOPEQSA-N 2 0 208.349 1.988 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH3+])N([C@@H]2CCC[NH2+]CC2)C1 ZINC001246556505 972769527 /nfs/dbraw/zinc/76/95/27/972769527.db2.gz JLJHHKMPVILWSX-UPJWGTAASA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@H]1CC[C@@H](CN)[N@@H+]([C@@H]2CCC3(C[NH2+]C3)C2)C1 ZINC001246558489 972781322 /nfs/dbraw/zinc/78/13/22/972781322.db2.gz QIMBFKPUARULJU-UPJWGTAASA-N 2 0 237.391 1.188 20 0 BDADRP C[C@@H]1CN(C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H]1[NH3+] ZINC001246559774 972785554 /nfs/dbraw/zinc/78/55/54/972785554.db2.gz DYCGIRRTSHLBBX-SYCZCVCYSA-N 2 0 237.391 1.281 20 0 BDADRP CCC[C@@H](C)CC[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246561538 972792801 /nfs/dbraw/zinc/79/28/01/972792801.db2.gz VPRROJAWHZFXBC-XJFOESAGSA-N 2 0 242.407 1.985 20 0 BDADRP C[C@@H]1CC[C@H](C[NH3+])N([C@H]2CC[NH2+]C(C)(C)C2)C1 ZINC001246564088 972801208 /nfs/dbraw/zinc/80/12/08/972801208.db2.gz DEPUBFBFDWPUEK-FRRDWIJNSA-N 2 0 239.407 1.576 20 0 BDADRP CC(C)([NH3+])CNc1cccn2c[nH+]cc12 ZINC001171195076 972848529 /nfs/dbraw/zinc/84/85/29/972848529.db2.gz UURBKZUCZWNUFW-UHFFFAOYSA-N 2 0 204.277 1.484 20 0 BDADRP CC[C@H](Cc1ccccc1)[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246574840 972870218 /nfs/dbraw/zinc/87/02/18/972870218.db2.gz BXMXIIGFXJPUJO-RRFJBIMHSA-N 2 0 248.370 1.259 20 0 BDADRP C[C@H]1C[C@H]([N@@H+]2CCCC[C@H](C[NH3+])C2)CCO1 ZINC001246584223 972955390 /nfs/dbraw/zinc/95/53/90/972955390.db2.gz TWZWUSTYZDPACN-YNEHKIRRSA-N 2 0 226.364 1.615 20 0 BDADRP C[N@@H+](C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CC[C@H](O)CC1 ZINC001246603258 973018495 /nfs/dbraw/zinc/01/84/95/973018495.db2.gz YOXONVZDNPYUHA-AOXNGBQGSA-N 2 0 238.375 1.505 20 0 BDADRP COC1CCC([NH+]2CC(C)(C[NH3+])C2)CC1 ZINC001246602257 973025899 /nfs/dbraw/zinc/02/58/99/973025899.db2.gz WNMJAJJEDZJFMZ-UHFFFAOYSA-N 2 0 212.337 1.225 20 0 BDADRP CO[C@@H]1CCC[C@@H]([N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)C1 ZINC001246637725 973055655 /nfs/dbraw/zinc/05/56/55/973055655.db2.gz JAMYRKQKNUTUBY-FDYHWXHSSA-N 2 0 224.348 1.380 20 0 BDADRP C1[NH2+]CC12CCCN2[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246640509 973059833 /nfs/dbraw/zinc/05/98/33/973059833.db2.gz DTCQHACLEOGOMB-UONOGXRCSA-N 2 0 249.402 1.347 20 0 BDADRP CC[C@@H]1C[C@@H](N(C)[C@H]2CC[NH2+]C2)C[C@H](CC)[NH2+]1 ZINC001246803031 973101788 /nfs/dbraw/zinc/10/17/88/973101788.db2.gz LZORWBSFRSNQEK-CRWXNKLISA-N 2 0 239.407 1.589 20 0 BDADRP c1ncn(C2CC[NH2+]CC2)c1C1CC[NH2+]CC1 ZINC001246866987 973231780 /nfs/dbraw/zinc/23/17/80/973231780.db2.gz LQMBYJLKMYBRSL-UHFFFAOYSA-N 2 0 234.347 1.275 20 0 BDADRP C1C[C@@H]2C[C@@H](N3C[C@H]4CCC[C@@H](C3)[NH2+]4)C[C@H](C1)[NH2+]2 ZINC001246881977 973284633 /nfs/dbraw/zinc/28/46/33/973284633.db2.gz PJUZHQPIUIJNCA-SBAKFKMJSA-N 2 0 249.402 1.486 20 0 BDADRP CCC[C@H]1CN([C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC001246904208 973393635 /nfs/dbraw/zinc/39/36/35/973393635.db2.gz SXZBSNOOPSEVNL-RFQIPJPRSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@@H]1CC[C@@H](N(C)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246908964 973410531 /nfs/dbraw/zinc/41/05/31/973410531.db2.gz HJZCSSDMJKUFFH-FDYHWXHSSA-N 2 0 225.380 1.329 20 0 BDADRP CC(C)[N@H+](C)[C@H]1CCN([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246910094 973432354 /nfs/dbraw/zinc/43/23/54/973432354.db2.gz JYHUGKYDTGTZHI-RDBSUJKOSA-N 2 0 239.407 1.541 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[C@@H]1C[NH3+])C2 ZINC001246918995 973481331 /nfs/dbraw/zinc/48/13/31/973481331.db2.gz YWIBKDHGTDZCNF-YVECIDJPSA-N 2 0 223.364 1.035 20 0 BDADRP C[C@@H]1CC[C@H](N2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)C[NH2+]1 ZINC001246921752 973496866 /nfs/dbraw/zinc/49/68/66/973496866.db2.gz VFSMGQQOWQGLAR-ZOBORPQBSA-N 2 0 237.391 1.153 20 0 BDADRP CCCC(CCC)[N@@H+]1C[C@H](N)[C@H](C(=O)OC)C1 ZINC001246929996 973574233 /nfs/dbraw/zinc/57/42/33/973574233.db2.gz JGNVGFDZZJTLCW-NEPJUHHUSA-N 2 0 242.363 1.387 20 0 BDADRP CC[C@H]([NH3+])C[N@H+](C)[C@@H](C)CCOC(C)C ZINC001246980584 973731979 /nfs/dbraw/zinc/73/19/79/973731979.db2.gz JAEKKBOKEHDVRE-RYUDHWBXSA-N 2 0 216.369 1.859 20 0 BDADRP C1[NH2+]C[C@H]2C[C@@H](N3CC[C@H]4[NH2+]CCC[C@H]4C3)C[C@@H]12 ZINC001247011797 973794821 /nfs/dbraw/zinc/79/48/21/973794821.db2.gz BTEMSCLBTGCBAM-SBJFKYEJSA-N 2 0 249.402 1.058 20 0 BDADRP C1=C2[NH2+]CCN([C@@H]3CCC[NH2+]C3)[C@H]2CCC1 ZINC001246998471 973795058 /nfs/dbraw/zinc/79/50/58/973795058.db2.gz XFZFOXMFKHVERG-YPMHNXCESA-N 2 0 221.348 1.080 20 0 BDADRP C1[NH2+]C[C@H]2C[C@@H](N3CC[C@H]4[NH2+]CCC[C@@H]4C3)C[C@@H]12 ZINC001247011800 973796330 /nfs/dbraw/zinc/79/63/30/973796330.db2.gz BTEMSCLBTGCBAM-UXXRCYHCSA-N 2 0 249.402 1.058 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](OC[C@H]2CCCC[NH+]2C)C1 ZINC001224700823 973866058 /nfs/dbraw/zinc/86/60/58/973866058.db2.gz BDPOERWZIGTRHR-KGLIPLIRSA-N 2 0 240.391 1.970 20 0 BDADRP C[C@@H](Cn1cccn1)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001329742965 973909122 /nfs/dbraw/zinc/90/91/22/973909122.db2.gz MUPQIRQRNPUSBI-FQUUOJAGSA-N 2 0 248.374 1.392 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](OC[C@@H]2CCC[NH+]2C)C1 ZINC001224817287 974001946 /nfs/dbraw/zinc/00/19/46/974001946.db2.gz LSBICAJJQTZJBE-QWHCGFSZSA-N 2 0 226.364 1.580 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@H]1CCc2c(F)cccc2C1 ZINC001171412439 974023815 /nfs/dbraw/zinc/02/38/15/974023815.db2.gz WZMMNFUYTIONEP-JQWIXIFHSA-N 2 0 236.334 1.867 20 0 BDADRP C[C@H](CCO)[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171619494 974113048 /nfs/dbraw/zinc/11/30/48/974113048.db2.gz MTJWVRYBTMOHJW-LLVKDONJSA-N 2 0 242.407 1.998 20 0 BDADRP C[N@@H+]1CC[C@H](C[NH2+][C@H]2Cc3cccc(F)c3C2)C1 ZINC001171773308 974157139 /nfs/dbraw/zinc/15/71/39/974157139.db2.gz JETDJBQCUXGZDK-YPMHNXCESA-N 2 0 248.345 1.834 20 0 BDADRP [NH3+][C@@H]1CCCN([C@H]2Cc3cccc(F)c3C2)C1 ZINC001171775125 974159747 /nfs/dbraw/zinc/15/97/47/974159747.db2.gz HWGUBCIGAFQXCD-NEPJUHHUSA-N 2 0 234.318 1.716 20 0 BDADRP C[C@@H](C[NH3+])C[N@H+](C)[C@H]1Cc2cccc(F)c2C1 ZINC001171784118 974174545 /nfs/dbraw/zinc/17/45/45/974174545.db2.gz XAZUNZGMRPQENI-JQWIXIFHSA-N 2 0 236.334 1.820 20 0 BDADRP N[C@@H]1CC[N@H+](C[C@H]2CCCOC2)CC[C@H]1F ZINC001206154250 974323813 /nfs/dbraw/zinc/32/38/13/974323813.db2.gz HYYNFLXSIPWMKW-IJLUTSLNSA-N 2 0 230.327 1.174 20 0 BDADRP N[C@@H]1CC[N@H+](CC2CCOCC2)CC[C@@H]1F ZINC001206156758 974331326 /nfs/dbraw/zinc/33/13/26/974331326.db2.gz SPDJDMWADWFCED-NWDGAFQWSA-N 2 0 230.327 1.174 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1COC1)C2 ZINC001172098189 974339005 /nfs/dbraw/zinc/33/90/05/974339005.db2.gz BNSTZVOPUJCYBD-XYYAHUGASA-N 2 0 224.348 1.238 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC(C)(C)O)C2 ZINC001172098403 974340623 /nfs/dbraw/zinc/34/06/23/974340623.db2.gz DCBFLDSFSFJOQB-ZSBIGDGJSA-N 2 0 226.364 1.362 20 0 BDADRP C[N@@H+]1CC[C@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172098339 974341813 /nfs/dbraw/zinc/34/18/13/974341813.db2.gz CBNXOANEULJXOW-FQUUOJAGSA-N 2 0 237.391 1.295 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCCCCO)C2 ZINC001172100635 974343527 /nfs/dbraw/zinc/34/35/27/974343527.db2.gz RCLITWOUJSOFMH-ZSOGYDGISA-N 2 0 240.391 1.754 20 0 BDADRP COC1(C[NH2+]CCC2CC[NH+](C)CC2)CCC1 ZINC001330608594 974358568 /nfs/dbraw/zinc/35/85/68/974358568.db2.gz QUSFMBRUOSUKHP-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1C[C@H](O)C1)C2 ZINC001172108690 974373675 /nfs/dbraw/zinc/37/36/75/974373675.db2.gz YCRQBKUJOBNRKY-UMBVQODESA-N 2 0 224.348 1.115 20 0 BDADRP COCC1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172112866 974375562 /nfs/dbraw/zinc/37/55/62/974375562.db2.gz GEZMUHHDYDUZSZ-BTTYYORXSA-N 2 0 238.375 1.580 20 0 BDADRP C[C@@H](CO)CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172118609 974378559 /nfs/dbraw/zinc/37/85/59/974378559.db2.gz SCVCQNCPAGDUEK-SYQHCUMBSA-N 2 0 240.391 1.610 20 0 BDADRP CC1([NH3+])CC[NH+](C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172224367 974460063 /nfs/dbraw/zinc/46/00/63/974460063.db2.gz OZBGKKVGHOFNNN-YOGCLGLASA-N 2 0 224.348 1.510 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@@H]1CSc2ccccc2C1 ZINC001172199450 974482697 /nfs/dbraw/zinc/48/26/97/974482697.db2.gz FHLFOHIOWHBILN-JQWIXIFHSA-N 2 0 236.384 1.888 20 0 BDADRP C[NH+](C)CCC(C)(C)[NH2+][C@H]1COC(C)(C)C1 ZINC001172276675 974492187 /nfs/dbraw/zinc/49/21/87/974492187.db2.gz MGDCXIFANMVIOX-LLVKDONJSA-N 2 0 228.380 1.874 20 0 BDADRP C[C@H]([NH3+])CN[C@@H]1c2ccccc2NC1(C)C ZINC001330832920 974497957 /nfs/dbraw/zinc/49/79/57/974497957.db2.gz VFEJAZAFKOHWDI-JOYOIKCWSA-N 2 0 219.332 1.869 20 0 BDADRP CC[N@H+]1C[C@@H]2C[NH+](C3C[C@@H]4C=C[C@H](C3)O4)C[C@@H]2C1 ZINC001172242739 974511225 /nfs/dbraw/zinc/51/12/25/974511225.db2.gz GSZAVRJOFCOPTA-AXOHJZAGSA-N 2 0 248.370 1.356 20 0 BDADRP CC[C@@H](C)OCC[C@H](C)[NH2+]CCOCC[NH3+] ZINC001172314534 974521154 /nfs/dbraw/zinc/52/11/54/974521154.db2.gz DMGHAHJUMCIXQH-NWDGAFQWSA-N 2 0 232.368 1.145 20 0 BDADRP CC(C)([NH3+])CCNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC001330952362 974540539 /nfs/dbraw/zinc/54/05/39/974540539.db2.gz QHXQKWKBPLJOLK-JTQLQIEISA-N 2 0 241.379 1.008 20 0 BDADRP C[N@@H+]1CC[C@H](Oc2ccc(CC(=[NH2+])NO)cc2)C1 ZINC001225544964 974547860 /nfs/dbraw/zinc/54/78/60/974547860.db2.gz ZGZSKJFPGILSCD-LBPRGKRZSA-N 2 0 249.314 1.268 20 0 BDADRP Cc1cc(N2CC[C@H]3[C@@H]2CC[N@H+]3C)cc[nH+]1 ZINC001277064399 974643022 /nfs/dbraw/zinc/64/30/22/974643022.db2.gz JXFDTFZTANBMJW-STQMWFEESA-N 2 0 217.316 1.673 20 0 BDADRP Cc1cc(N2CC[C@H]3C[N@@H+](C)C[C@H]32)cc[nH+]1 ZINC001277064271 974644215 /nfs/dbraw/zinc/64/42/15/974644215.db2.gz ILVXMCXSBCYVHL-WCQYABFASA-N 2 0 217.316 1.530 20 0 BDADRP C[NH2+][C@H](C)CCN[C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC001331418836 974712936 /nfs/dbraw/zinc/71/29/36/974712936.db2.gz LELBFFIEWSYEIA-WOPDTQHZSA-N 2 0 213.369 1.105 20 0 BDADRP CNC(=O)c1ccc(C[NH2+]CC[C@H](C)[NH2+]C)cc1 ZINC001331420360 974713070 /nfs/dbraw/zinc/71/30/70/974713070.db2.gz WOKLQYQBEUHKIC-NSHDSACASA-N 2 0 249.358 1.134 20 0 BDADRP C[C@@H]([NH3+])[C@@H](C)[NH2+]CCc1ccc(F)cc1F ZINC001331417869 974713781 /nfs/dbraw/zinc/71/37/81/974713781.db2.gz DJMLSIFJAFACCQ-RKDXNWHRSA-N 2 0 228.286 1.833 20 0 BDADRP CC[C@@H](CC(C)C)[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC001172389673 974736970 /nfs/dbraw/zinc/73/69/70/974736970.db2.gz PSHQNAFSUBBKEL-NWDGAFQWSA-N 2 0 214.353 1.471 20 0 BDADRP CC[C@H](CC(C)C)NC(=[NH2+])NCCCC[NH3+] ZINC001172389318 974737271 /nfs/dbraw/zinc/73/72/71/974737271.db2.gz NIJSUSVGNYIGHU-LLVKDONJSA-N 2 0 228.384 1.664 20 0 BDADRP C[N@H+](C[C@@H](O)C[NH3+])[C@H]1CCc2c1cccc2F ZINC001331513336 974745292 /nfs/dbraw/zinc/74/52/92/974745292.db2.gz CALXSQGCZSHMCV-ZANVPECISA-N 2 0 238.306 1.064 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CCc2cnccn2)CC1(C)C ZINC001331693704 974794085 /nfs/dbraw/zinc/79/40/85/974794085.db2.gz VTJHELXKYWEBLK-LBPRGKRZSA-N 2 0 248.374 1.482 20 0 BDADRP CC(C)OCC[C@@H](C)[NH2+]C[C@H](C)C[NH3+] ZINC001172439520 974795644 /nfs/dbraw/zinc/79/56/44/974795644.db2.gz FEYGSTPYWSIBRY-GHMZBOCLSA-N 2 0 202.342 1.374 20 0 BDADRP CC(C)OCC[C@H](C)[N@@H+]1CCC[C@H]1CN ZINC001172450674 974814237 /nfs/dbraw/zinc/81/42/37/974814237.db2.gz ZVTXCIDBDVPRGI-RYUDHWBXSA-N 2 0 214.353 1.613 20 0 BDADRP Cc1nc(NCC(C)(C)[NH3+])cc(N2CCCC2)[nH+]1 ZINC000258695051 974916681 /nfs/dbraw/zinc/91/66/81/974916681.db2.gz KCUQQQDUCUYMRL-UHFFFAOYSA-N 2 0 249.362 1.534 20 0 BDADRP CC(C)([NH3+])CCNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC001332055940 974935409 /nfs/dbraw/zinc/93/54/09/974935409.db2.gz YFYWNKQBJDSODU-UHFFFAOYSA-N 2 0 247.342 1.147 20 0 BDADRP CC[NH+](CC)C1CCC([NH2+]CCCO)CC1 ZINC001173103437 975021740 /nfs/dbraw/zinc/02/17/40/975021740.db2.gz CBKBAORUBIQMBC-UHFFFAOYSA-N 2 0 228.380 1.611 20 0 BDADRP CC[NH+](CC)C1CCC([NH2+]C(C)(C)CO)CC1 ZINC001173103489 975023266 /nfs/dbraw/zinc/02/32/66/975023266.db2.gz CQRIHAWVCOWBHH-UHFFFAOYSA-N 2 0 242.407 2.000 20 0 BDADRP C[C@@H]([NH3+])CN1C[C@H](CC[NH3+])Cc2ccccc21 ZINC001332816411 975287061 /nfs/dbraw/zinc/28/70/61/975287061.db2.gz SVEWHIQDWIGZKZ-VXGBXAGGSA-N 2 0 233.359 1.361 20 0 BDADRP CC[N@@H+]1CC[C@@H](N(C)c2nc(C[NH3+])ccc2C)C1 ZINC001173347876 975287437 /nfs/dbraw/zinc/28/74/37/975287437.db2.gz HUJLPBHTJQTHJA-CYBMUJFWSA-N 2 0 248.374 1.379 20 0 BDADRP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC001332814684 975287763 /nfs/dbraw/zinc/28/77/63/975287763.db2.gz BOLLBTCJMTZSLN-WCQYABFASA-N 2 0 226.364 1.472 20 0 BDADRP CC[N@@H+]1CC[C@H](N(C)c2nc(C[NH3+])ccc2C)C1 ZINC001173347877 975288840 /nfs/dbraw/zinc/28/88/40/975288840.db2.gz HUJLPBHTJQTHJA-ZDUSSCGKSA-N 2 0 248.374 1.379 20 0 BDADRP CC[N@@H+]1CC[C@H](N2C[C@H]([NH3+])Cc3ccccc32)C1 ZINC001173348561 975292242 /nfs/dbraw/zinc/29/22/42/975292242.db2.gz RBSJRUBBYWGPEL-KGLIPLIRSA-N 2 0 245.370 1.471 20 0 BDADRP CCN1CC[C@@H]([NH2+]Cc2ccccc2C[NH3+])C1 ZINC001173356022 975309951 /nfs/dbraw/zinc/30/99/51/975309951.db2.gz AQCPQMKYOSGFJX-CQSZACIVSA-N 2 0 233.359 1.329 20 0 BDADRP CC[N@@H+]1CC[C@H](NC(C)(C)C(C)(C)[NH3+])C1 ZINC001173360306 975326976 /nfs/dbraw/zinc/32/69/76/975326976.db2.gz NWGIETFKVSNEKD-JTQLQIEISA-N 2 0 213.369 1.186 20 0 BDADRP CCN1CC[C@H]([NH2+]CCCCCCC[NH3+])C1 ZINC001173360654 975330287 /nfs/dbraw/zinc/33/02/87/975330287.db2.gz QQYCLIMWLIRPFE-ZDUSSCGKSA-N 2 0 227.396 1.579 20 0 BDADRP CC[N@@H+]1CC[C@@H](N2CCC[NH+]3CCC[C@@H]3C2)C1 ZINC001173365933 975342301 /nfs/dbraw/zinc/34/23/01/975342301.db2.gz SGWADYJSFXHAAF-ZIAGYGMSSA-N 2 0 237.391 1.251 20 0 BDADRP CC[N@@H+]1CC[C@H](N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC001173365382 975343829 /nfs/dbraw/zinc/34/38/29/975343829.db2.gz HBNXIGZQWGJPPF-KBPBESRZSA-N 2 0 237.391 1.251 20 0 BDADRP CC[N@@H+]1CC[C@H](N(C)CCC[NH+]2CCCC2)C1 ZINC001173365902 975343886 /nfs/dbraw/zinc/34/38/86/975343886.db2.gz RTKUYTYNXGOGER-AWEZNQCLSA-N 2 0 239.407 1.498 20 0 BDADRP CC[N@@H+]1CC[C@H](N2CCC[NH+]3CCC[C@@H]3C2)C1 ZINC001173365931 975347607 /nfs/dbraw/zinc/34/76/07/975347607.db2.gz SGWADYJSFXHAAF-KGLIPLIRSA-N 2 0 237.391 1.251 20 0 BDADRP CC[N@@H+]1CC[C@H](N(C)CC[NH+]2CCCC2)C1 ZINC001173370201 975359426 /nfs/dbraw/zinc/35/94/26/975359426.db2.gz FLTAPTCXWHCGII-ZDUSSCGKSA-N 2 0 225.380 1.108 20 0 BDADRP CC[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)[C@@H](C)C2)C1 ZINC001173375249 975362664 /nfs/dbraw/zinc/36/26/64/975362664.db2.gz SBGWHYAAAZAXLF-KBPBESRZSA-N 2 0 239.407 1.495 20 0 BDADRP CC[N@@H+]1CC[C@H](N2CC[NH+](C)C(C)(C)C2)C1 ZINC001173373455 975363114 /nfs/dbraw/zinc/36/31/14/975363114.db2.gz XHBYSGOKKBPSJO-LBPRGKRZSA-N 2 0 225.380 1.107 20 0 BDADRP COC(=O)CCCC[C@H](C)[N@H+](C)C[C@@H](C)C[NH3+] ZINC001173444550 975386868 /nfs/dbraw/zinc/38/68/68/975386868.db2.gz KLAKAHNNFNSBNP-RYUDHWBXSA-N 2 0 244.379 1.635 20 0 BDADRP C[C@H]([NH2+]CCC[NH+]1CCCC1)C(C)(C)CO ZINC001333555828 975847502 /nfs/dbraw/zinc/84/75/02/975847502.db2.gz ROZXEHXOYLVPTB-LBPRGKRZSA-N 2 0 228.380 1.469 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CO[C@H](C)[C@@H]2C)C1 ZINC001334356253 976466350 /nfs/dbraw/zinc/46/63/50/976466350.db2.gz VUJNVESIQYZUBZ-REWJHTLYSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc2c[nH]nc21 ZINC001334826691 976726453 /nfs/dbraw/zinc/72/64/53/976726453.db2.gz HQTHSZDQBCXNJY-MFKMUULPSA-N 2 0 244.342 1.508 20 0 BDADRP C[NH+](C)Cc1ccccc1O[C@H]1CC[N@H+](C)C1 ZINC001229700090 976956161 /nfs/dbraw/zinc/95/61/61/976956161.db2.gz VTINNBTVBGVRBN-ZDUSSCGKSA-N 2 0 234.343 1.831 20 0 BDADRP CSC[C@@H](O)C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC001335397331 977020540 /nfs/dbraw/zinc/02/05/40/977020540.db2.gz FFIPJJLLBNHQOT-NSHDSACASA-N 2 0 246.420 1.032 20 0 BDADRP CC[NH+](CC)CCCC[NH2+]C[C@@H](C)O ZINC001335399716 977029262 /nfs/dbraw/zinc/02/92/62/977029262.db2.gz GGORWCFLRQJFGR-LLVKDONJSA-N 2 0 202.342 1.079 20 0 BDADRP [NH3+]C[C@@H]1Cc2ccccc2CN1C1CCOCC1 ZINC000721619645 977570780 /nfs/dbraw/zinc/57/07/80/977570780.db2.gz ZPYVVGMFRBSGMY-HNNXBMFYSA-N 2 0 246.354 1.551 20 0 BDADRP COC(C)(C)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC001277584448 977790319 /nfs/dbraw/zinc/79/03/19/977790319.db2.gz JMEMUVPCECYVGP-AWEZNQCLSA-N 2 0 240.391 1.829 20 0 BDADRP [NH3+]Cc1ccc(Nc2cc[nH+]c(CO)c2)cc1 ZINC001175965649 977832961 /nfs/dbraw/zinc/83/29/61/977832961.db2.gz DQUGSRWQUHKOTE-UHFFFAOYSA-N 2 0 229.283 1.776 20 0 BDADRP C[N@H+](Cc1cc2c[nH+]ccc2[nH]1)[C@@H]1CCOC1 ZINC001232013948 977839774 /nfs/dbraw/zinc/83/97/74/977839774.db2.gz IFPCWHPQQPBAQU-GFCCVEGCSA-N 2 0 231.299 1.784 20 0 BDADRP CN(CC[NH+](C)C)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232012111 977841366 /nfs/dbraw/zinc/84/13/66/977841366.db2.gz SQFXNEGXXSBMBO-UHFFFAOYSA-N 2 0 232.331 1.556 20 0 BDADRP CN(Cc1cc2c[nH+]ccc2[nH]1)[C@H]1CC[N@H+](C)C1 ZINC001232014577 977843938 /nfs/dbraw/zinc/84/39/38/977843938.db2.gz RBVYNRSGKGRUEU-ZDUSSCGKSA-N 2 0 244.342 1.699 20 0 BDADRP C[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1cc2c[nH+]ccc2[nH]1 ZINC001232015890 977846434 /nfs/dbraw/zinc/84/64/34/977846434.db2.gz NOPMHURQEPEIMS-STQMWFEESA-N 2 0 242.326 1.451 20 0 BDADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+](C)C)[C@H](C)O ZINC001336702811 977867352 /nfs/dbraw/zinc/86/73/52/977867352.db2.gz FTJMDIVMPJGJSB-NEPJUHHUSA-N 2 0 236.359 1.607 20 0 BDADRP OCc1c[nH+]ccc1N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC001336982527 978104737 /nfs/dbraw/zinc/10/47/37/978104737.db2.gz GUEYGFUBQJOAJU-KGLIPLIRSA-N 2 0 247.342 1.035 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2cc[nH]n2)CC1 ZINC001206292846 978288238 /nfs/dbraw/zinc/28/82/38/978288238.db2.gz DRSQNZXNHHGXKF-LBPRGKRZSA-N 2 0 222.336 1.361 20 0 BDADRP C[C@H]1C[N@H+](C)[C@@H](C)CN1c1cc[nH+]cc1 ZINC001337708081 978466858 /nfs/dbraw/zinc/46/68/58/978466858.db2.gz CQXWDCDAUDBOMP-QWRGUYRKSA-N 2 0 205.305 1.610 20 0 BDADRP C[C@H](CO)[N@@H+](Cc1ccccc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC001337839012 978524081 /nfs/dbraw/zinc/52/40/81/978524081.db2.gz ZRDJFNWKKZSGPW-YUELXQCFSA-N 2 0 248.370 1.607 20 0 BDADRP NC[C@@]1(F)CCCC[N@H+](CC23CC([NH3+])(C2)C3)C1 ZINC001206336709 978600690 /nfs/dbraw/zinc/60/06/90/978600690.db2.gz NMWJJCOKIBKQBL-CPCZMJQVSA-N 2 0 241.354 1.021 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@@H](Nc3cc[nH+]c(CO)c3)[C@H]2C1 ZINC001338296291 978656037 /nfs/dbraw/zinc/65/60/37/978656037.db2.gz HNFMDFSAESNLBX-LEWSCRJBSA-N 2 0 247.342 1.326 20 0 BDADRP C[NH+]1CCC2(C[NH+](Cc3ccoc3)C2)CC1 ZINC001204243768 978702023 /nfs/dbraw/zinc/70/20/23/978702023.db2.gz JGRZKRBGYLBYCH-UHFFFAOYSA-N 2 0 220.316 1.807 20 0 BDADRP Cc1ccncc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001179816625 978760011 /nfs/dbraw/zinc/76/00/11/978760011.db2.gz MNGPELRFFQKYIM-AEGPPILISA-N 2 0 245.370 1.820 20 0 BDADRP CO[C@H](C)C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC001180288076 978860389 /nfs/dbraw/zinc/86/03/89/978860389.db2.gz ASHVAQOIEHURQE-GFCCVEGCSA-N 2 0 244.379 1.064 20 0 BDADRP OCCCCC[N@@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235038329 978959258 /nfs/dbraw/zinc/95/92/58/978959258.db2.gz GSCRDDPBJBKFES-CQSZACIVSA-N 2 0 240.391 1.757 20 0 BDADRP CCC[C@@H](C)C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235052539 978963493 /nfs/dbraw/zinc/96/34/93/978963493.db2.gz GXWNHYMCXGNJIR-OLZOCXBDSA-N 2 0 225.380 1.060 20 0 BDADRP [NH3+]C12CC(CN3CCCC[C@]34CC[NH2+]C4)(C1)C2 ZINC001235122730 978978981 /nfs/dbraw/zinc/97/89/81/978978981.db2.gz ILAWJVOAXXIASP-JXQTWKCFSA-N 2 0 235.375 1.086 20 0 BDADRP C[C@@H]1C[C@@H]1C[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235126636 978980819 /nfs/dbraw/zinc/98/08/19/978980819.db2.gz VPNHMDZUCUFZIH-JHJVBQTASA-N 2 0 208.349 1.860 20 0 BDADRP [NH3+]CCCC[NH+]1CCC2(CC[NH2+]CC2)CC1 ZINC001235135619 978980920 /nfs/dbraw/zinc/98/09/20/978980920.db2.gz PCJGJCMGLOLVIM-UHFFFAOYSA-N 3 0 225.380 1.191 20 0 BDADRP CC[NH2+]CCN1CCC2(CC[NH2+]CC2)CC1 ZINC001235134701 978982240 /nfs/dbraw/zinc/98/22/40/978982240.db2.gz ANCLDEVPGMVOMU-UHFFFAOYSA-N 3 0 225.380 1.062 20 0 BDADRP CC[C@H](N)C[N@@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235154974 978984111 /nfs/dbraw/zinc/98/41/11/978984111.db2.gz XJOIUQZFTXEJOX-UONOGXRCSA-N 2 0 239.407 1.578 20 0 BDADRP C[NH+]1CCC(C)(CN2CC[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001235166996 978988096 /nfs/dbraw/zinc/98/80/96/978988096.db2.gz XPLROZMMDAYOMA-GXTWGEPZSA-N 2 0 237.391 1.141 20 0 BDADRP CC[NH2+]CCN1CCCCC12CC[NH2+]CC2 ZINC001235190505 978991276 /nfs/dbraw/zinc/99/12/76/978991276.db2.gz KIUIBPNSPRSQOZ-UHFFFAOYSA-N 2 0 225.380 1.204 20 0 BDADRP C[NH2+]CCCN1CCCCC12CC[NH2+]CC2 ZINC001235191682 978992744 /nfs/dbraw/zinc/99/27/44/978992744.db2.gz VQULUYHXLFHRTD-UHFFFAOYSA-N 2 0 225.380 1.204 20 0 BDADRP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC001235241025 979004285 /nfs/dbraw/zinc/00/42/85/979004285.db2.gz PNJUQRKJEWUDRJ-BFHYXJOUSA-N 3 0 237.391 1.189 20 0 BDADRP CN(C[C@@H]([NH3+])c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001235343647 979030048 /nfs/dbraw/zinc/03/00/48/979030048.db2.gz WHMCUIAFJLFLEK-UONOGXRCSA-N 2 0 233.359 1.370 20 0 BDADRP C(C1CC2(C1)CC[NH2+]CC2)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001235387377 979034042 /nfs/dbraw/zinc/03/40/42/979034042.db2.gz SQQBDEHOKFSREM-OKILXGFUSA-N 2 0 249.402 1.202 20 0 BDADRP OCCCCC[N@@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235400444 979035821 /nfs/dbraw/zinc/03/58/21/979035821.db2.gz CZEYOMUXEVVLRL-STQMWFEESA-N 2 0 244.354 1.173 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCc2cc(O)ccc2C1 ZINC001235440250 979045754 /nfs/dbraw/zinc/04/57/54/979045754.db2.gz CMNAGMOWLWMMQO-UHFFFAOYSA-N 2 0 220.316 1.489 20 0 BDADRP CN(C[C@H]([NH3+])Cc1ccccc1)C1CC[NH2+]CC1 ZINC001235475656 979052290 /nfs/dbraw/zinc/05/22/90/979052290.db2.gz YUODXVCWHUYZCZ-CQSZACIVSA-N 2 0 247.386 1.240 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)C[C@H]([NH3+])C(C)(C)C ZINC001340692980 979064402 /nfs/dbraw/zinc/06/44/02/979064402.db2.gz VRHAWHBOHZBVPL-MXWKQRLJSA-N 2 0 241.379 1.088 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001340720968 979079347 /nfs/dbraw/zinc/07/93/47/979079347.db2.gz ZJCXSZJWXXYHBF-SDDRHHMPSA-N 2 0 241.379 1.007 20 0 BDADRP Cc1ncn(C)c1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001235536574 979081019 /nfs/dbraw/zinc/08/10/19/979081019.db2.gz FJRSIVKCSQDNKK-OLZOCXBDSA-N 2 0 248.374 1.112 20 0 BDADRP [NH3+]CCCC[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC001235673227 979114276 /nfs/dbraw/zinc/11/42/76/979114276.db2.gz MWLIWPUDRQSRNW-ZDUSSCGKSA-N 2 0 219.332 1.610 20 0 BDADRP C[C@@H](CC[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1)CC(C)(C)C ZINC001206454371 979119815 /nfs/dbraw/zinc/11/98/15/979119815.db2.gz DKNSNPCGUNRRFR-RWMBFGLXSA-N 2 0 242.407 1.700 20 0 BDADRP CC(C)[NH+]1CCC(C[N@@H+](C)C[C@H](C)N)CC1 ZINC001235676541 979121086 /nfs/dbraw/zinc/12/10/86/979121086.db2.gz SJXGUHNOTIVGGL-LBPRGKRZSA-N 2 0 227.396 1.386 20 0 BDADRP OCCCC[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC001235701180 979131240 /nfs/dbraw/zinc/13/12/40/979131240.db2.gz FHSZICMOHJHMLH-UHFFFAOYSA-N 2 0 240.391 1.471 20 0 BDADRP [NH3+]CCCC[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC001235705326 979131465 /nfs/dbraw/zinc/13/14/65/979131465.db2.gz KJQJMNVPKHXYDA-GFCCVEGCSA-N 2 0 219.332 1.610 20 0 BDADRP [NH3+]C[C@@H]1CCCN1C[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001235726386 979133059 /nfs/dbraw/zinc/13/30/59/979133059.db2.gz XLYAKQONUMNNLM-GJZGRUSLSA-N 2 0 245.370 1.124 20 0 BDADRP CC(C)[C@H]([NH3+])C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001340879899 979138036 /nfs/dbraw/zinc/13/80/36/979138036.db2.gz DCWCALSNEBVXGT-LBPRGKRZSA-N 2 0 233.315 1.212 20 0 BDADRP C[C@@H](C(=O)Nc1cccc2c1C[NH2+]C2)[NH+](C)C ZINC001340883227 979138085 /nfs/dbraw/zinc/13/80/85/979138085.db2.gz YJLTYFBTVLQCPD-VIFPVBQESA-N 2 0 233.315 1.178 20 0 BDADRP Fc1ccccc1[C@H]1C[NH2+]CCN1C[C@H]1CC[NH2+]1 ZINC001235742000 979140553 /nfs/dbraw/zinc/14/05/53/979140553.db2.gz HNIDXCVHJZCNSV-BXUZGUMPSA-N 2 0 249.333 1.134 20 0 BDADRP CC1(C)C[NH2+]CCN1CC[C@@H]1CCCC[NH2+]1 ZINC001235823040 979157478 /nfs/dbraw/zinc/15/74/78/979157478.db2.gz SOOJVOHNTNNPKI-LBPRGKRZSA-N 2 0 225.380 1.202 20 0 BDADRP CC[NH+]1CCC(C[NH2+]C[C@@H](CO)C(C)C)CC1 ZINC001181574592 979163040 /nfs/dbraw/zinc/16/30/40/979163040.db2.gz ATBGZLNTVZCWDR-AWEZNQCLSA-N 2 0 242.407 1.572 20 0 BDADRP C[C@H]([NH3+])CN1CCC([NH+]2CCC(F)CC2)CC1 ZINC001235892128 979183757 /nfs/dbraw/zinc/18/37/57/979183757.db2.gz LEQRHXILWCXUCB-NSHDSACASA-N 2 0 243.370 1.232 20 0 BDADRP C[C@@H]1CN(CC[C@H]2CCCC[NH2+]2)C[C@H](C)[NH2+]1 ZINC001235897329 979190774 /nfs/dbraw/zinc/19/07/74/979190774.db2.gz KUPIERAYPWIPHF-FRRDWIJNSA-N 2 0 225.380 1.201 20 0 BDADRP CC(C)[N@H+](CCN)CCC1CC[NH2+]CC1 ZINC001235948843 979197043 /nfs/dbraw/zinc/19/70/43/979197043.db2.gz SXQQDZLRUWRKQZ-UHFFFAOYSA-N 2 0 213.369 1.045 20 0 BDADRP CN(CCC[NH2+]C1CCCCC1)C1C[NH2+]C1 ZINC001235922203 979203965 /nfs/dbraw/zinc/20/39/65/979203965.db2.gz VEZFPWJTMYBGOI-UHFFFAOYSA-N 2 0 225.380 1.202 20 0 BDADRP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC001235958263 979224919 /nfs/dbraw/zinc/22/49/19/979224919.db2.gz CDUQTTLXOQQNRB-FQUUOJAGSA-N 3 0 237.391 1.045 20 0 BDADRP CCN(CC[C@H]1CCCC[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC001235970437 979232527 /nfs/dbraw/zinc/23/25/27/979232527.db2.gz MUBHKXNXENIYIH-CHWSQXEVSA-N 2 0 225.380 1.202 20 0 BDADRP [NH3+][C@@]12CC[C@H]1C[N@H+](CCC1CCCC1)C2 ZINC001235980940 979243619 /nfs/dbraw/zinc/24/36/19/979243619.db2.gz SKCRGWXIKKIMHC-QWHCGFSZSA-N 2 0 208.349 1.990 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC001341137896 979247491 /nfs/dbraw/zinc/24/74/91/979247491.db2.gz WBTKNFQZYMIUPP-GIPNMCIBSA-N 2 0 247.342 1.126 20 0 BDADRP CC1(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)CCOCC1 ZINC001235980870 979260078 /nfs/dbraw/zinc/26/00/78/979260078.db2.gz RYIFFDCKNHANHJ-YPMHNXCESA-N 2 0 224.348 1.226 20 0 BDADRP CCC(CC)C[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235993542 979284449 /nfs/dbraw/zinc/28/44/49/979284449.db2.gz OPDLSUCMWXDVCB-FUNVUKJBSA-N 2 0 226.364 1.328 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CN(CC[C@H]2CCCC[NH2+]2)C1 ZINC001236044919 979338112 /nfs/dbraw/zinc/33/81/12/979338112.db2.gz PVDMRJFVLKKKAK-JHJVBQTASA-N 2 0 225.380 1.188 20 0 BDADRP [NH3+][C@H](CN(C1CC1)C1C[NH2+]C1)c1ccccc1 ZINC001236062488 979351298 /nfs/dbraw/zinc/35/12/98/979351298.db2.gz GKGMBJQTCHVEBE-CQSZACIVSA-N 2 0 231.343 1.123 20 0 BDADRP CCC(CC)(C[NH3+])C(=O)N[C@H](C[NH3+])CC(C)C ZINC001341361886 979356317 /nfs/dbraw/zinc/35/63/17/979356317.db2.gz CZCCXUNMPPOCOX-NSHDSACASA-N 2 0 243.395 1.241 20 0 BDADRP C[N@H+](C1CC1)C1CCN(CCCCCO)CC1 ZINC001236093407 979385850 /nfs/dbraw/zinc/38/58/50/979385850.db2.gz HHTXTFDNCHEQDB-UHFFFAOYSA-N 2 0 240.391 1.708 20 0 BDADRP C[C@H]1CN(Cc2cccc(N)c2)CCC[NH2+]1 ZINC001236100085 979389172 /nfs/dbraw/zinc/38/91/72/979389172.db2.gz CWUQPXKLDBRFOI-NSHDSACASA-N 2 0 219.332 1.453 20 0 BDADRP C[C@H]([NH3+])CN(C)CC/C=C/c1cccnc1 ZINC001236100982 979389702 /nfs/dbraw/zinc/38/97/02/979389702.db2.gz LGFXPTJXAWUOHS-UXONFWTHSA-N 2 0 219.332 1.764 20 0 BDADRP CN(CCCCCC[NH3+])C[C@@H]1CCC[NH2+]1 ZINC001236118109 979398405 /nfs/dbraw/zinc/39/84/05/979398405.db2.gz CJDCGIZASMLZRC-LBPRGKRZSA-N 2 0 213.369 1.189 20 0 BDADRP CCCC[C@H]1CN(C[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC001236135446 979405099 /nfs/dbraw/zinc/40/50/99/979405099.db2.gz OMFPFIDELVQVQA-STQMWFEESA-N 2 0 225.380 1.202 20 0 BDADRP C[NH+](C)CCCn1cc(-c2cc(N)cc[nH+]2)cn1 ZINC001236148966 979414078 /nfs/dbraw/zinc/41/40/78/979414078.db2.gz PYQQEHMMGPPOQQ-UHFFFAOYSA-N 2 0 245.330 1.479 20 0 BDADRP CCC[C@H]1CN(CC[C@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001236177029 979437250 /nfs/dbraw/zinc/43/72/50/979437250.db2.gz QEFLZGHIGYNVQB-KGLIPLIRSA-N 2 0 239.407 1.593 20 0 BDADRP CN(CC[C@H]1CCCC[NH2+]1)[C@@]1(C)CCC[NH2+]C1 ZINC001236202263 979449022 /nfs/dbraw/zinc/44/90/22/979449022.db2.gz PLNHYWGCNATYNO-KGLIPLIRSA-N 2 0 239.407 1.593 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1CCCC[C@@H]1N ZINC001236210513 979449423 /nfs/dbraw/zinc/44/94/23/979449423.db2.gz DERWOQZFCIEQQF-IHRRRGAJSA-N 2 0 239.407 1.578 20 0 BDADRP C[N@H+](CCCCCO)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236220934 979452079 /nfs/dbraw/zinc/45/20/79/979452079.db2.gz ARMDZFKRLDXVEQ-HAQNSBGRSA-N 2 0 214.353 1.351 20 0 BDADRP [NH3+]CCCCCC(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001341550062 979464467 /nfs/dbraw/zinc/46/44/67/979464467.db2.gz SQGOAUGCJWJCHD-LBPRGKRZSA-N 2 0 241.379 1.154 20 0 BDADRP C[NH2+]CCN(Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001236270817 979482458 /nfs/dbraw/zinc/48/24/58/979482458.db2.gz WGQSAEMSCDUSSM-HNNXBMFYSA-N 2 0 247.386 1.460 20 0 BDADRP CC(C)([NH3+])c1ccc(NC(=O)[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC001341607395 979487806 /nfs/dbraw/zinc/48/78/06/979487806.db2.gz JLURCQRHNKHRTF-JGZJWPJOSA-N 2 0 247.342 1.556 20 0 BDADRP CC(C)([NH3+])c1ccc(NC(=O)[C@H]2C[C@H]([NH3+])C2)cc1 ZINC001341607394 979488986 /nfs/dbraw/zinc/48/89/86/979488986.db2.gz JLURCQRHNKHRTF-HOMQSWHASA-N 2 0 247.342 1.556 20 0 BDADRP CC[NH2+][C@H](C)C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001341622559 979493246 /nfs/dbraw/zinc/49/32/46/979493246.db2.gz KIFKFNWDPLEPMG-SECBINFHSA-N 2 0 233.315 1.226 20 0 BDADRP CC(C)[NH2+]CC(=O)Nc1cccc2c1C[NH2+]C2 ZINC001341624801 979497910 /nfs/dbraw/zinc/49/79/10/979497910.db2.gz WYMWYGPICKOXSN-UHFFFAOYSA-N 2 0 233.315 1.226 20 0 BDADRP CC(C)C[C@@H]([NH3+])CC(=O)N1CCC(C)([NH3+])CC1 ZINC001341660551 979515272 /nfs/dbraw/zinc/51/52/72/979515272.db2.gz VRSUWGPOTIYTDQ-LLVKDONJSA-N 2 0 241.379 1.090 20 0 BDADRP CC(C)CC[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236315109 979525926 /nfs/dbraw/zinc/52/59/26/979525926.db2.gz VXYWOMYZISMCQX-BETUJISGSA-N 2 0 210.365 1.964 20 0 BDADRP Cc1nn(C)cc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314723 979526078 /nfs/dbraw/zinc/52/60/78/979526078.db2.gz FZXPGPVHQULBGX-BETUJISGSA-N 2 0 248.374 1.160 20 0 BDADRP CCOC(C)(C)C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236315261 979529781 /nfs/dbraw/zinc/52/97/81/979529781.db2.gz YNGYKWWSNJGAAA-BETUJISGSA-N 2 0 240.391 1.733 20 0 BDADRP CC(C)N(CCCCC[NH3+])[C@@H]1CCC[NH2+]C1 ZINC001236469666 979605123 /nfs/dbraw/zinc/60/51/23/979605123.db2.gz UPNJIFUHVFNINX-CYBMUJFWSA-N 2 0 227.396 1.578 20 0 BDADRP CC(C)N(CC[C@H]1CCCC[NH2+]1)[C@H]1CC[NH2+]C1 ZINC001236528999 979620315 /nfs/dbraw/zinc/62/03/15/979620315.db2.gz UYSKGBMPWUNUEW-KGLIPLIRSA-N 2 0 239.407 1.591 20 0 BDADRP CC(C)N(CC1(F)CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC001236529392 979622052 /nfs/dbraw/zinc/62/20/52/979622052.db2.gz YFHXESWWWJKVFR-GFCCVEGCSA-N 2 0 243.370 1.150 20 0 BDADRP CC[C@H](C)C[C@H]([NH3+])C(=O)NCCC[NH2+]C1CC1 ZINC001342124517 979670044 /nfs/dbraw/zinc/67/00/44/979670044.db2.gz JXOHXGJJUHUQEZ-JQWIXIFHSA-N 2 0 241.379 1.008 20 0 BDADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC001342161761 979684032 /nfs/dbraw/zinc/68/40/32/979684032.db2.gz YRGQPECMSUKHGD-QCNOEVLYSA-N 2 0 241.379 1.088 20 0 BDADRP C([C@@H]1CC[NH2+]1)N([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236649303 979686934 /nfs/dbraw/zinc/68/69/34/979686934.db2.gz WBTQKZTXFURDGG-GXTWGEPZSA-N 2 0 237.391 1.345 20 0 BDADRP C[C@@H]([NH3+])CN([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236647220 979688415 /nfs/dbraw/zinc/68/84/15/979688415.db2.gz LDJSFBOECMFBDH-DGCLKSJQSA-N 2 0 225.380 1.330 20 0 BDADRP C[C@H](CO)C[N@@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001277994093 979688990 /nfs/dbraw/zinc/68/89/90/979688990.db2.gz JXXXSSRHSRSFCV-UONOGXRCSA-N 2 0 240.391 1.423 20 0 BDADRP C[NH2+]CCN(CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236768828 979725462 /nfs/dbraw/zinc/72/54/62/979725462.db2.gz QSZYQMCOABOABM-JOCQHMNTSA-N 2 0 241.423 1.824 20 0 BDADRP CC(C)([NH3+])CC(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC001342258527 979737735 /nfs/dbraw/zinc/73/77/35/979737735.db2.gz HKYMVQYLMWAREL-UHFFFAOYSA-N 2 0 249.358 1.946 20 0 BDADRP CC[C@H]([NH3+])CN(C)CC1(C)CC[NH+](C)CC1 ZINC001236861207 979765778 /nfs/dbraw/zinc/76/57/78/979765778.db2.gz WCBYPOZIHDHWHW-LBPRGKRZSA-N 2 0 227.396 1.387 20 0 BDADRP CC[C@@H]([NH3+])CN1Cc2ccccc2C[C@H]1C[NH3+] ZINC001237020057 979803667 /nfs/dbraw/zinc/80/36/67/979803667.db2.gz MRWSIWNHMZRYKM-KGLIPLIRSA-N 2 0 233.359 1.109 20 0 BDADRP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(C[NH3+])cc2)CC1 ZINC001205273195 979832447 /nfs/dbraw/zinc/83/24/47/979832447.db2.gz HJLPRFMZVCXABT-OAHLLOKOSA-N 3 0 247.386 1.849 20 0 BDADRP C1=C2[NH2+]CCN(C[C@H]3CCCC[NH2+]3)[C@@H]2CCC1 ZINC001237220889 979850513 /nfs/dbraw/zinc/85/05/13/979850513.db2.gz TUIYVRSBKSKHHW-TZMCWYRMSA-N 2 0 235.375 1.470 20 0 BDADRP C1=C2[NH2+]CCN(C[C@H]3CCCC[NH2+]3)[C@H]2CCC1 ZINC001237220888 979852821 /nfs/dbraw/zinc/85/28/21/979852821.db2.gz TUIYVRSBKSKHHW-OCCSQVGLSA-N 2 0 235.375 1.470 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]C3CC(C(F)F)C3)[C@@H]2C1 ZINC001184389152 980062604 /nfs/dbraw/zinc/06/26/04/980062604.db2.gz VIHOCNCPJBEKFK-HHTLKZDDSA-N 2 0 244.329 1.960 20 0 BDADRP C[C@H]1CCN(C[C@@H]([NH3+])c2ccccc2)C[C@@H]1C[NH3+] ZINC001205297148 980075094 /nfs/dbraw/zinc/07/50/94/980075094.db2.gz ZYAMYZZNLXHSCU-AEGPPILISA-N 2 0 247.386 1.603 20 0 BDADRP [NH3+]CCc1cccc(C2=CCC[NH2+]CC2)c1 ZINC001238946344 980385463 /nfs/dbraw/zinc/38/54/63/980385463.db2.gz HKEBRAQDBPMKIU-UHFFFAOYSA-N 2 0 216.328 1.955 20 0 BDADRP [NH3+][C@H]1CC2(CC[NH2+]CC2)c2cc(F)ccc21 ZINC001239318233 980528606 /nfs/dbraw/zinc/52/86/06/980528606.db2.gz PEFDUBOWQUERKE-LBPRGKRZSA-N 2 0 220.291 1.850 20 0 BDADRP CC[NH+]1CCC(NCC[C@@H](C)[NH2+]C)CC1 ZINC001345469409 980615244 /nfs/dbraw/zinc/61/52/44/980615244.db2.gz GUOHZOVLUNPXED-LLVKDONJSA-N 2 0 213.369 1.058 20 0 BDADRP C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC001345610821 980646491 /nfs/dbraw/zinc/64/64/91/980646491.db2.gz GKIBZYXRRSANGE-VHSXEESVSA-N 2 0 249.358 1.802 20 0 BDADRP [NH3+]Cc1ccccc1NC(=O)C[C@H]1CC[NH2+]C1 ZINC001345707440 980675009 /nfs/dbraw/zinc/67/50/09/980675009.db2.gz YLERVIUECIKYKK-SNVBAGLBSA-N 2 0 233.315 1.083 20 0 BDADRP C[NH2+][C@H](C)Cc1noc([C@@H]2CCCC[C@H]2[NH3+])n1 ZINC001345929664 980711940 /nfs/dbraw/zinc/71/19/40/980711940.db2.gz CHEYKSRDDCDLHR-OPRDCNLKSA-N 2 0 238.335 1.205 20 0 BDADRP C[NH2+][C@H](C)Cc1noc([C@H]2CCCC[C@H]2[NH3+])n1 ZINC001345929663 980712435 /nfs/dbraw/zinc/71/24/35/980712435.db2.gz CHEYKSRDDCDLHR-KXUCPTDWSA-N 2 0 238.335 1.205 20 0 BDADRP C[NH+]1CCC(C[NH2+]C[C@@H](O)c2ccccn2)CC1 ZINC001346203599 980781706 /nfs/dbraw/zinc/78/17/06/980781706.db2.gz KJSQATHTVILBOX-CQSZACIVSA-N 2 0 249.358 1.046 20 0 BDADRP [NH3+]Cc1cncc(-c2ccc3c(c2)C[NH2+]CC3)c1 ZINC001239797633 980936861 /nfs/dbraw/zinc/93/68/61/980936861.db2.gz UEXSIJWLJSIHJL-UHFFFAOYSA-N 2 0 239.322 1.853 20 0 BDADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2ccccn2)CC1 ZINC001205545992 980945993 /nfs/dbraw/zinc/94/59/93/980945993.db2.gz ODKKJNXFXRHEHT-ZDUSSCGKSA-N 2 0 237.322 1.735 20 0 BDADRP COCOCCC[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205545365 980946095 /nfs/dbraw/zinc/94/60/95/980946095.db2.gz FQEYHEMYTOAHQS-GFCCVEGCSA-N 2 0 248.342 1.150 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)[C@H](C)O)C1 ZINC001191391032 981023380 /nfs/dbraw/zinc/02/33/80/981023380.db2.gz UCDCSBCSRFSZNJ-WOPDTQHZSA-N 2 0 214.353 1.029 20 0 BDADRP Cc1nccn1CCC[N@@H+](C)CC1=NOCC1 ZINC001192349979 981147741 /nfs/dbraw/zinc/14/77/41/981147741.db2.gz XJZDCVLRLUOPOH-UHFFFAOYSA-N 2 0 236.319 1.290 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2ncc[nH]2)CC[C@@H]1C[NH3+] ZINC001205603597 981174708 /nfs/dbraw/zinc/17/47/08/981174708.db2.gz QURKBUDVWYEXCF-GHMZBOCLSA-N 2 0 222.336 1.217 20 0 BDADRP C[C@H]1CC[N@H+](Cc2cnn(C)c2)CC[C@H]1C[NH3+] ZINC001205603541 981174805 /nfs/dbraw/zinc/17/48/05/981174805.db2.gz PZVIIMAQOTVHTH-AAEUAGOBSA-N 2 0 236.363 1.227 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2ccncc2)CC[C@@H]1C[NH3+] ZINC001205604783 981180903 /nfs/dbraw/zinc/18/09/03/981180903.db2.gz WYHHFJJMHMZYPY-TZMCWYRMSA-N 2 0 233.359 1.888 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2cncnc2)CC[C@H]1C[NH3+] ZINC001205618973 981236354 /nfs/dbraw/zinc/23/63/54/981236354.db2.gz ZSHQUAWXYNETGC-YPMHNXCESA-N 2 0 234.347 1.283 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2ccnc(N)c2)CC[C@@H]1C[NH3+] ZINC001205626910 981279935 /nfs/dbraw/zinc/27/99/35/981279935.db2.gz KPEDGWSZHOOQLE-DGCLKSJQSA-N 2 0 248.374 1.471 20 0 BDADRP C[C@H]1CC[N@H+](Cc2cccc(N)n2)CC[C@H]1C[NH3+] ZINC001205638822 981412773 /nfs/dbraw/zinc/41/27/73/981412773.db2.gz SGCUCAMXGZQNAF-RYUDHWBXSA-N 2 0 248.374 1.471 20 0 BDADRP C[NH2+][C@@H](C)CC[NH2+][C@@H]1CCCC12CCOCC2 ZINC001348851973 981461306 /nfs/dbraw/zinc/46/13/06/981461306.db2.gz IYEQAWXESZGFET-QWHCGFSZSA-N 2 0 240.391 1.923 20 0 BDADRP c1cc2c(cc1C1=CCC[NH2+]C1)C[NH2+]CC2 ZINC001240658887 981569369 /nfs/dbraw/zinc/56/93/69/981569369.db2.gz KXRGUZLIFHFFEG-UHFFFAOYSA-N 2 0 214.312 1.709 20 0 BDADRP OCC1([NH2+]CC2CC3(CCC3)C2)CC[NH2+]CC1 ZINC001580881388 981683264 /nfs/dbraw/zinc/68/32/64/981683264.db2.gz FHRFSWTYXWQBHV-UHFFFAOYSA-N 2 0 238.375 1.271 20 0 BDADRP OC[C@H](CC1CCCC1)[NH2+]C[C@@]12C[C@@H]1C[NH2+]C2 ZINC001580882214 981685720 /nfs/dbraw/zinc/68/57/20/981685720.db2.gz OZPOISXAJDTVQI-RDBSUJKOSA-N 2 0 238.375 1.127 20 0 BDADRP OCCc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC001580884448 981699154 /nfs/dbraw/zinc/69/91/54/981699154.db2.gz BWWOSDZAXFWHLZ-OAHLLOKOSA-N 2 0 248.370 1.311 20 0 BDADRP OCc1ccc(C[NH2+]C[C@H]2CCC[NH2+]CC2)o1 ZINC001580884909 981711512 /nfs/dbraw/zinc/71/15/12/981711512.db2.gz UZZNWEKXWOZASE-NSHDSACASA-N 2 0 238.331 1.251 20 0 BDADRP c1ccc(CC[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)nc1 ZINC001580892728 981726045 /nfs/dbraw/zinc/72/60/45/981726045.db2.gz DLFDQOJYFCNNLA-OLZOCXBDSA-N 2 0 231.343 1.165 20 0 BDADRP c1cn2c(n1)[C@@H]([NH2+]C[C@H]1CCC[NH2+]CC1)CC2 ZINC001580896736 981734256 /nfs/dbraw/zinc/73/42/56/981734256.db2.gz PJWKXLHIZRRLBR-RYUDHWBXSA-N 2 0 234.347 1.307 20 0 BDADRP Cc1cccc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)c1 ZINC001205662939 981766420 /nfs/dbraw/zinc/76/64/20/981766420.db2.gz FZOWBJRQZDUROU-OAHLLOKOSA-N 2 0 248.370 1.671 20 0 BDADRP [NH3+]C[C@]1(O)CCCC[N@H+](CCC2CCCC2)C1 ZINC001205662957 981766911 /nfs/dbraw/zinc/76/69/11/981766911.db2.gz GGEIIKTZLFQRHH-CQSZACIVSA-N 2 0 240.391 1.742 20 0 BDADRP Cc1cnc(C=C2CC[NH2+]CC2)nc1C1C[NH2+]C1 ZINC001240875217 981918581 /nfs/dbraw/zinc/91/85/81/981918581.db2.gz LBUVNZHWVRPPSH-UHFFFAOYSA-N 2 0 244.342 1.239 20 0 BDADRP CC1(C)[C@@H]([NH2+]C[C@H]2CCOC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC001350954664 982133440 /nfs/dbraw/zinc/13/34/40/982133440.db2.gz DUOOWTDSXHDDNR-NDBYEHHHSA-N 2 0 238.375 1.389 20 0 BDADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(C)(C)O)C1 ZINC000081571067 982672716 /nfs/dbraw/zinc/67/27/16/982672716.db2.gz JYEUXIUVMNAZMY-LBPRGKRZSA-N 2 0 228.380 1.421 20 0 BDADRP C[C@H]1CC[C@@H](C[NH3+])N(Cc2cccc(C[NH3+])c2)C1 ZINC001205842933 982748561 /nfs/dbraw/zinc/74/85/61/982748561.db2.gz PYDJZYVCCLWSPM-WFASDCNBSA-N 3 0 247.386 1.705 20 0 BDADRP C[NH2+]Cc1ccc(-c2cnn(C3C[NH2+]C3)c2)cc1 ZINC001241614577 982849954 /nfs/dbraw/zinc/84/99/54/982849954.db2.gz JUMOVFLVBZFICC-UHFFFAOYSA-N 2 0 242.326 1.414 20 0 BDADRP C[C@@H]1C[C@H](NC(=O)c2ccccc2C[NH3+])CC[NH2+]1 ZINC001353632644 982942464 /nfs/dbraw/zinc/94/24/64/982942464.db2.gz DJSHVLMBEWDTFJ-ZYHUDNBSSA-N 2 0 247.342 1.016 20 0 BDADRP CC(C)OCCC[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000690529124 983010324 /nfs/dbraw/zinc/01/03/24/983010324.db2.gz UIXOZSQPEZPBCX-QWHCGFSZSA-N 2 0 228.380 1.718 20 0 BDADRP C[C@@H](CNc1nccnc1C[NH3+])C[NH+]1CCCC1 ZINC001354078269 983142886 /nfs/dbraw/zinc/14/28/86/983142886.db2.gz BRQATXZIOXZDTH-NSHDSACASA-N 2 0 249.362 1.079 20 0 BDADRP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cccc(C[NH3+])c1 ZINC001205916198 983187390 /nfs/dbraw/zinc/18/73/90/983187390.db2.gz SRAYNWBVCYMSAX-WFASDCNBSA-N 3 0 247.386 1.705 20 0 BDADRP C[NH+](C)[C@H]1C[C@H](Nc2nccnc2C[NH3+])C1(C)C ZINC001354227004 983209930 /nfs/dbraw/zinc/20/99/30/983209930.db2.gz UGMBWNOYMCLBDY-QWRGUYRKSA-N 2 0 249.362 1.076 20 0 BDADRP Cc1[nH+]cn(-c2cccc(C[NH+](C)C)c2)c1N ZINC001201392096 983214299 /nfs/dbraw/zinc/21/42/99/983214299.db2.gz RYAQEIGFSPNWGK-UHFFFAOYSA-N 2 0 230.315 1.825 20 0 BDADRP C[C@@H](CNc1cc(N)[nH+]cc1Cl)C[NH+](C)C ZINC001355283665 983462323 /nfs/dbraw/zinc/46/23/23/983462323.db2.gz LBIWPMVJTPWAGV-QMMMGPOBSA-N 2 0 242.754 1.927 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CC[C@@H](CO)C2)CC1 ZINC000082946478 983503538 /nfs/dbraw/zinc/50/35/38/983503538.db2.gz HMPZFULJWIQGKB-CYBMUJFWSA-N 2 0 226.364 1.033 20 0 BDADRP [NH3+][C@H]1CCCCN(Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC001205939974 983634385 /nfs/dbraw/zinc/63/43/85/983634385.db2.gz XWPQARCIYVFZRO-HNNXBMFYSA-N 2 0 245.370 1.603 20 0 BDADRP CCCC[C@H](O)C[NH2+]C[C@H]1CC[N@H+](C)C1 ZINC001252107106 983668292 /nfs/dbraw/zinc/66/82/92/983668292.db2.gz DXTYARPXYQBCBQ-NEPJUHHUSA-N 2 0 214.353 1.079 20 0 BDADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC001357454047 983720413 /nfs/dbraw/zinc/72/04/13/983720413.db2.gz SFWUNHOXEQGUGY-QJPTWQEYSA-N 2 0 241.379 1.008 20 0 BDADRP CC(C)(C)[C@@H]([NH3+])CC(=O)N[C@H](C[NH3+])C(C)(C)C ZINC001357618574 983747103 /nfs/dbraw/zinc/74/71/03/983747103.db2.gz HLOFRKCKVBVMHY-VHSXEESVSA-N 2 0 243.395 1.240 20 0 BDADRP CC(C)(C)[C@H]([NH3+])CC(=O)N[C@H](C[NH3+])C(C)(C)C ZINC001357618572 983748133 /nfs/dbraw/zinc/74/81/33/983748133.db2.gz HLOFRKCKVBVMHY-NXEZZACHSA-N 2 0 243.395 1.240 20 0 BDADRP CCOCCC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925489162 983786335 /nfs/dbraw/zinc/78/63/35/983786335.db2.gz OYRDMPRSMRSEKN-AGIUHOORSA-N 2 0 240.391 1.779 20 0 BDADRP CC[C@@H]([NH3+])C(=O)N1C[C@H](CC[NH3+])c2ccccc21 ZINC001357990414 983811924 /nfs/dbraw/zinc/81/19/24/983811924.db2.gz IWRRQTPOJBJRPF-CMPLNLGQSA-N 2 0 247.342 1.203 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CC[C@@H]([NH3+])C1)[C@H]1CCOC1 ZINC001576246485 984160574 /nfs/dbraw/zinc/16/05/74/984160574.db2.gz XDSIQZOJNYVYNQ-FIQHERPVSA-N 2 0 212.337 1.128 20 0 BDADRP C[C@H]1OCC[C@@]1(C)[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576903055 984184349 /nfs/dbraw/zinc/18/43/49/984184349.db2.gz FGPNENUFNYOTMH-WRWGMCAJSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@H]1OCC[C@]1(C)[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576903053 984185399 /nfs/dbraw/zinc/18/53/99/984185399.db2.gz FGPNENUFNYOTMH-KXNHARMFSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@H]1C[N@H+](Cc2cc[nH]n2)CCC[C@H]1C[NH3+] ZINC001205981837 984187153 /nfs/dbraw/zinc/18/71/53/984187153.db2.gz HSENSZPMEIQUOW-QWRGUYRKSA-N 2 0 222.336 1.217 20 0 BDADRP CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001577908255 984200535 /nfs/dbraw/zinc/20/05/35/984200535.db2.gz DTTXFFXSSREBTE-QJPTWQEYSA-N 2 0 242.363 1.163 20 0 BDADRP CCO[C@@]1(C)C[C@H]1N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001578160958 984205243 /nfs/dbraw/zinc/20/52/43/984205243.db2.gz FVBIFUHSPIEZBB-YFKTTZPYSA-N 2 0 212.337 1.284 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H](N[C@@H]3C[C@@H]([NH3+])C34CCC4)[C@H]2C1 ZINC001578521160 984215498 /nfs/dbraw/zinc/21/54/98/984215498.db2.gz MGPMOLUOWRSYEY-QSLWVIQJSA-N 2 0 249.402 1.186 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCOC2)CCC[C@@H]1C[NH3+] ZINC001205983852 984215963 /nfs/dbraw/zinc/21/59/63/984215963.db2.gz PPHWLDCZQSRERR-HZSPNIEDSA-N 2 0 240.391 1.720 20 0 BDADRP C[C@@H]1C[N@H+](CC2(C)COC2)CCC[C@H]1C[NH3+] ZINC001205984317 984216810 /nfs/dbraw/zinc/21/68/10/984216810.db2.gz RURHCQDZDMGJAM-NEPJUHHUSA-N 2 0 226.364 1.330 20 0 BDADRP C[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCC[C@H]1C[NH3+] ZINC001205985433 984318910 /nfs/dbraw/zinc/31/89/10/984318910.db2.gz YEZHZVVEQBTESC-JSGCOSHPSA-N 3 0 239.407 1.293 20 0 BDADRP Cn1ncc(C[NH3+])c1C[NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1 ZINC001580002533 984366051 /nfs/dbraw/zinc/36/60/51/984366051.db2.gz YBCOACBELTYXIG-GNXNZQSNSA-N 2 0 248.374 1.405 20 0 BDADRP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cn[nH]c3)(C1)CCC2 ZINC001275045859 984447177 /nfs/dbraw/zinc/44/71/77/984447177.db2.gz SONZAXWLSLISIA-QWHCGFSZSA-N 2 0 234.347 1.564 20 0 BDADRP c1nc(C2C[NH2+]C2)c2cc(C3=CC[NH2+]C3)ccn12 ZINC001243109526 984562449 /nfs/dbraw/zinc/56/24/49/984562449.db2.gz MRRZPTAPCMUVMT-UHFFFAOYSA-N 3 0 240.310 1.008 20 0 BDADRP C[C@@H](Cc1ccncc1)[NH2+]C[C@@H]1CC[N@H+](C)C1 ZINC001256719819 984574409 /nfs/dbraw/zinc/57/44/09/984574409.db2.gz UATANOAYWFCISI-JSGCOSHPSA-N 2 0 233.359 1.554 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001577688024 984640721 /nfs/dbraw/zinc/64/07/21/984640721.db2.gz ZIBITYZUYQNAGU-MELADBBJSA-N 2 0 241.423 1.837 20 0 BDADRP CC[NH+](CC)CCCN1C[C@H]2CC[NH2+]C[C@H]21 ZINC001577688002 984641828 /nfs/dbraw/zinc/64/18/28/984641828.db2.gz YMKNCTXQKZFZQD-CHWSQXEVSA-N 2 0 225.380 1.012 20 0 BDADRP CC[NH+](CC)[C@H](C)CNCC1(C[NH3+])CCC1 ZINC001577697935 984643646 /nfs/dbraw/zinc/64/36/46/984643646.db2.gz XQAATAQPERDWNW-GFCCVEGCSA-N 2 0 227.396 1.435 20 0 BDADRP CC[N@@H+](Cc1cnn(C)c1)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001577743127 984680422 /nfs/dbraw/zinc/68/04/22/984680422.db2.gz NXJZDXSZMVVLJJ-WCQYABFASA-N 2 0 236.363 1.369 20 0 BDADRP C[C@@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000380153755 984732196 /nfs/dbraw/zinc/73/21/96/984732196.db2.gz JCZANIQBYKQHIO-ZIAGYGMSSA-N 2 0 240.391 1.565 20 0 BDADRP CC[N@@H+]1CCC[C@H](N[C@H]2C[NH2+]CC2(C)C)C1 ZINC001577771078 984771909 /nfs/dbraw/zinc/77/19/09/984771909.db2.gz RLMXAONJPZUEKK-RYUDHWBXSA-N 2 0 225.380 1.058 20 0 BDADRP CCOC(=O)[C@H](C)[C@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC001577908863 984818130 /nfs/dbraw/zinc/81/81/30/984818130.db2.gz VMZGTJAPERIKTJ-QKEWWQLBSA-N 2 0 242.363 1.434 20 0 BDADRP Cn1ccnc1C[N@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001276229258 984831897 /nfs/dbraw/zinc/83/18/97/984831897.db2.gz KMSQSTVLLURHCA-BETUJISGSA-N 2 0 248.374 1.194 20 0 BDADRP CCOC1CC(CC[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)C1 ZINC001578084579 984837536 /nfs/dbraw/zinc/83/75/36/984837536.db2.gz NWWBDOUCPUJFJV-TYUFSLCMSA-N 2 0 240.391 1.907 20 0 BDADRP CCOCOc1ccc(C[NH2+]CCC[NH3+])cc1 ZINC001578121847 984854355 /nfs/dbraw/zinc/85/43/55/984854355.db2.gz GLDQGIVUZDOYTI-UHFFFAOYSA-N 2 0 238.331 1.498 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[NH2+]C2)[C@@H]1SC ZINC001578159276 984863492 /nfs/dbraw/zinc/86/34/92/984863492.db2.gz XQOLERFBIRPDQT-KKOKHZNYSA-N 2 0 244.404 1.095 20 0 BDADRP CCc1c[nH]c2ncnc(N[C@H]3C[C@@H]([NH3+])C3)c12 ZINC001578245691 984898984 /nfs/dbraw/zinc/89/89/84/984898984.db2.gz FETDQPCFIPZJDK-DTORHVGOSA-N 2 0 231.303 1.422 20 0 BDADRP CCc1ccc2c(c1)C[N@@H+](C[C@@H](O)CC[NH3+])CC2 ZINC001578263640 984911448 /nfs/dbraw/zinc/91/14/48/984911448.db2.gz RFIOVTNQSJPCDO-HNNXBMFYSA-N 2 0 248.370 1.317 20 0 BDADRP CCn1cncc1C[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578357504 984998064 /nfs/dbraw/zinc/99/80/64/984998064.db2.gz XINKUVOMJXCMKO-WDEREUQCSA-N 2 0 222.336 1.120 20 0 BDADRP CCn1ccnc1[C@H](C)[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001578357141 985000320 /nfs/dbraw/zinc/00/03/20/985000320.db2.gz NUVNGOCNXAJVGL-URAGZPLESA-N 2 0 234.347 1.433 20 0 BDADRP C[NH+](C)CCc1ccc(NC(=O)[C@H]2C[C@H]2[NH3+])cc1 ZINC001578418766 985054024 /nfs/dbraw/zinc/05/40/24/985054024.db2.gz HICPHTLLVRGSHA-QWHCGFSZSA-N 2 0 247.342 1.076 20 0 BDADRP C[N@H+](C[C@H]1COC(C)(C)O1)CC1CC[NH2+]CC1 ZINC001578457662 985092154 /nfs/dbraw/zinc/09/21/54/985092154.db2.gz DHXFVERXDUKTMC-LBPRGKRZSA-N 2 0 242.363 1.069 20 0 BDADRP C[N@H+](CCN1CCC[C@@H]1C[NH3+])Cc1ccccc1 ZINC001578471683 985105614 /nfs/dbraw/zinc/10/56/14/985105614.db2.gz HBGVYKZROFWUNI-OAHLLOKOSA-N 2 0 247.386 1.542 20 0 BDADRP CN(CC[N@H+](C)Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC001578470165 985107069 /nfs/dbraw/zinc/10/70/69/985107069.db2.gz QXSWSEGYRLVAQW-HNNXBMFYSA-N 2 0 247.386 1.412 20 0 BDADRP C[NH+]1CCC(C[N@H+]2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC001578523536 985144519 /nfs/dbraw/zinc/14/45/19/985144519.db2.gz MGILEIBITKRNBW-OKILXGFUSA-N 2 0 237.391 1.155 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1CNC[C@H]([NH3+])CC(F)F ZINC001578528538 985159484 /nfs/dbraw/zinc/15/94/84/985159484.db2.gz IWDXJHKFAUDOIX-NXEZZACHSA-N 2 0 235.322 1.043 20 0 BDADRP C[NH2+]C[C@](C)(O)C[NH2+][C@@H]1Cc2ccccc2[C@@H]1C ZINC001578622691 985237838 /nfs/dbraw/zinc/23/78/38/985237838.db2.gz YKJQGNSJGNQABN-GLQYFDAESA-N 2 0 248.370 1.275 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1cccc2nccn21 ZINC001578627864 985243627 /nfs/dbraw/zinc/24/36/27/985243627.db2.gz WPBZTLJACDETKV-LLVKDONJSA-N 2 0 232.331 1.279 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+][C@H]2CCCSC2)C1 ZINC001257664507 985245243 /nfs/dbraw/zinc/24/52/43/985245243.db2.gz PNSFULHJDVNAFF-DCAQKATOSA-N 2 0 214.378 1.742 20 0 BDADRP C[NH2+]C[C@H](O)C[N@@H+]1CCC[C@H](CC(C)C)C1 ZINC001578653847 985274657 /nfs/dbraw/zinc/27/46/57/985274657.db2.gz FBKYTSHSFJFTEZ-OLZOCXBDSA-N 2 0 228.380 1.325 20 0 BDADRP C[NH2+]CCCC(=O)Nc1ccc2c[nH+]cn2c1 ZINC001578681060 985290841 /nfs/dbraw/zinc/29/08/41/985290841.db2.gz RFMMQBOTZFQWCM-UHFFFAOYSA-N 2 0 232.287 1.272 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCc2cccc(C)c2C1 ZINC001578687062 985295628 /nfs/dbraw/zinc/29/56/28/985295628.db2.gz JDSOTXLNQRKVEB-UHFFFAOYSA-N 2 0 218.344 1.963 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H](CC(=O)OC)C(C)(C)C ZINC001578691461 985298307 /nfs/dbraw/zinc/29/83/07/985298307.db2.gz PJCPONACMUQLAW-JTQLQIEISA-N 2 0 230.352 1.163 20 0 BDADRP C[C@H](CSCC[NH+](C)C)C[NH+]1CCOCC1 ZINC001458994640 985368341 /nfs/dbraw/zinc/36/83/41/985368341.db2.gz KRFKSQHMMSTYMO-LBPRGKRZSA-N 2 0 246.420 1.250 20 0 BDADRP COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC001578832996 985410087 /nfs/dbraw/zinc/41/00/87/985410087.db2.gz UJLWCNGAPOZSMQ-KXNHARMFSA-N 2 0 240.347 1.188 20 0 BDADRP CO[C@@H](C)CN[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC001578900236 985470190 /nfs/dbraw/zinc/47/01/90/985470190.db2.gz FJKAUNSKZPTKCN-FPMFFAJLSA-N 2 0 234.343 1.367 20 0 BDADRP C[C@H]1COC[C@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000688048347 985522897 /nfs/dbraw/zinc/52/28/97/985522897.db2.gz NLTMEJKRLOLRED-NWDGAFQWSA-N 2 0 226.364 1.343 20 0 BDADRP C[C@@H]1COC[C@@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000688048346 985525562 /nfs/dbraw/zinc/52/55/62/985525562.db2.gz NLTMEJKRLOLRED-NEPJUHHUSA-N 2 0 226.364 1.343 20 0 BDADRP COC1(C[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(C)C2)CCC1 ZINC001578926044 985528039 /nfs/dbraw/zinc/52/80/39/985528039.db2.gz ARTYOCZVYBFAGM-NEPJUHHUSA-N 2 0 224.348 1.097 20 0 BDADRP CO[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H]([NH3+])C2)C12CCC2 ZINC001578935842 985531507 /nfs/dbraw/zinc/53/15/07/985531507.db2.gz LHACVNJMVCAWTD-YTWAJWBKSA-N 2 0 210.321 1.023 20 0 BDADRP COC1(C[NH2+]C2CC3(CC([NH3+])C3)C2)CCC1 ZINC001578930221 985534341 /nfs/dbraw/zinc/53/43/41/985534341.db2.gz QPNOMZFQOFAYFD-UHFFFAOYSA-N 2 0 224.348 1.415 20 0 BDADRP C[C@@H]1COC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000688053437 985544663 /nfs/dbraw/zinc/54/46/63/985544663.db2.gz NUJGDQGUDAVCPG-XQHKEYJVSA-N 2 0 224.348 1.238 20 0 BDADRP CO[C@H]1CCC[C@H]([NH2+][C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001578936460 985546314 /nfs/dbraw/zinc/54/63/14/985546314.db2.gz DIMCNVRSPQIPFT-YFKTTZPYSA-N 2 0 212.337 1.413 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[NH2+][C@@H]2C)C1 ZINC001578936376 985547845 /nfs/dbraw/zinc/54/78/45/985547845.db2.gz DFLKPQMRJKBZBW-KKOKHZNYSA-N 2 0 212.337 1.284 20 0 BDADRP CO[C@@H]1CC[C@H]([N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)C1 ZINC001578938633 985549794 /nfs/dbraw/zinc/54/97/94/985549794.db2.gz UCEVGOPEUOTFJA-MROQNXINSA-N 2 0 224.348 1.095 20 0 BDADRP CO[C@@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C[C@@H]1C ZINC001578940273 985556560 /nfs/dbraw/zinc/55/65/60/985556560.db2.gz CZNOSDPGWRPKSF-YNEHKIRRSA-N 2 0 226.364 1.343 20 0 BDADRP COC[C@@H]([NH2+]C[C@H]1CCCC[NH2+]C1)C(C)C ZINC001578970378 985579498 /nfs/dbraw/zinc/57/94/98/985579498.db2.gz TXFYBUFSPPLSTP-QWHCGFSZSA-N 2 0 228.380 1.637 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+]C[C@@H](SC)C(C)(C)C ZINC001579002691 985650763 /nfs/dbraw/zinc/65/07/63/985650763.db2.gz SNFWBTULPLMVAU-WDEREUQCSA-N 2 0 248.436 1.718 20 0 BDADRP COCC[C@@H]([NH3+])C[NH2+][C@@H](C1CC1)C1CCC1 ZINC001579002696 985652801 /nfs/dbraw/zinc/65/28/01/985652801.db2.gz SOEAOSRBXNFOPK-CHWSQXEVSA-N 2 0 226.364 1.519 20 0 BDADRP C[NH+](C)C[C@@H]1CCN(C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000688478806 985655338 /nfs/dbraw/zinc/65/53/38/985655338.db2.gz BMDVIBCUHIERJH-KBPBESRZSA-N 2 0 239.407 1.260 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+][C@H](C)[C@@](C)(OC)C1CC1 ZINC001579001812 985655365 /nfs/dbraw/zinc/65/53/65/985655365.db2.gz LXXJJDAYVJPTCV-KGYLQXTDSA-N 2 0 244.379 1.143 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+]CC1(SC)CCC1 ZINC001579003228 985659648 /nfs/dbraw/zinc/65/96/48/985659648.db2.gz CGSOLKSDIMKPAP-JTQLQIEISA-N 2 0 232.393 1.226 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+]CCOC1CCCCC1 ZINC001579003708 985660589 /nfs/dbraw/zinc/66/05/89/985660589.db2.gz LMYLMAFNXAMXRL-LBPRGKRZSA-N 2 0 244.379 1.289 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+]C[C@H]1CCC[C@H]1C ZINC001579003623 985661164 /nfs/dbraw/zinc/66/11/64/985661164.db2.gz KDCMVMBWDXHXNU-UTUOFQBUSA-N 2 0 214.353 1.376 20 0 BDADRP CCOC[C@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000717914596 985764209 /nfs/dbraw/zinc/76/42/09/985764209.db2.gz ZUXUZTVGVCEINZ-AGIUHOORSA-N 2 0 226.364 1.472 20 0 BDADRP CO[C@H]1C[C@@H]([N@H+](C)C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001579132946 985808854 /nfs/dbraw/zinc/80/88/54/985808854.db2.gz JNMSWZGLGLFXTG-WHOHXGKFSA-N 2 0 212.337 1.223 20 0 BDADRP COc1ccc(C[NH2+]CCCCCC[NH3+])cn1 ZINC001579216263 985820039 /nfs/dbraw/zinc/82/00/39/985820039.db2.gz LENHSHYWFLZDBG-UHFFFAOYSA-N 2 0 237.347 1.699 20 0 BDADRP C[S@](=O)[C@H]1CC[C@@H]([NH2+]C2CC(CC[NH3+])C2)C1 ZINC001579354686 985855826 /nfs/dbraw/zinc/85/58/26/985855826.db2.gz FLIBYJNEAYUABJ-GEWNDEHPSA-N 2 0 244.404 1.003 20 0 BDADRP CSC1(C[NH2+]C2CC3(C[C@H]3[NH3+])C2)CC1 ZINC001579365136 985857432 /nfs/dbraw/zinc/85/74/32/985857432.db2.gz JGUPOKLCONUMFK-HWOCKDDLSA-N 2 0 212.362 1.351 20 0 BDADRP CSC1(C[NH2+]C2CC3(C[C@@H]3[NH3+])C2)CCC1 ZINC001579365135 985857249 /nfs/dbraw/zinc/85/72/49/985857249.db2.gz JEMUSVXAORMXPP-YVNMAJEFSA-N 2 0 226.389 1.742 20 0 BDADRP CSCC[N@@H+]1C[C@@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001579374953 985866495 /nfs/dbraw/zinc/86/64/95/985866495.db2.gz ZVIXDOYDHIEZOT-NWDGAFQWSA-N 2 0 228.405 1.800 20 0 BDADRP [NH3+]C[C@@H]1CCCC[N@H+](CCC23CC([NH3+])(C2)C3)C1 ZINC001206606462 985925023 /nfs/dbraw/zinc/92/50/23/985925023.db2.gz NUUCLNBWFJTBNH-HSBZDZAISA-N 3 0 237.391 1.319 20 0 BDADRP CCOC(=O)CC[C@H](C)[NH2+]CCCC[NH+](C)C ZINC001258471862 985939334 /nfs/dbraw/zinc/93/93/34/985939334.db2.gz GGSKVVSEQWJFLT-LBPRGKRZSA-N 2 0 244.379 1.650 20 0 BDADRP CCOC(=O)CC[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC001258472966 985940459 /nfs/dbraw/zinc/94/04/59/985940459.db2.gz HUGDJRZSIQVFJH-SDDRHHMPSA-N 2 0 242.363 1.578 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)CC1(O)CCCC1 ZINC001579454587 985945067 /nfs/dbraw/zinc/94/50/67/985945067.db2.gz MUJVPJHZBGRZAJ-NEPJUHHUSA-N 2 0 226.364 1.079 20 0 BDADRP Cc1c[nH]c(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)n1 ZINC001579546875 986083714 /nfs/dbraw/zinc/08/37/14/986083714.db2.gz HFZUXKYWRFBGQI-MWLCHTKSSA-N 2 0 222.336 1.135 20 0 BDADRP [NH3+]C[C@H]1CCCC[N@H+](Cc2cccc(=O)[nH]2)C1 ZINC001206615024 986086657 /nfs/dbraw/zinc/08/66/57/986086657.db2.gz AOCGZQAFOIQAFG-LLVKDONJSA-N 2 0 235.331 1.348 20 0 BDADRP Cc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])C2)cc(C)c1O ZINC001579601031 986116828 /nfs/dbraw/zinc/11/68/28/986116828.db2.gz HELUXDWXPVZEDP-TXEJJXNPSA-N 2 0 220.316 1.588 20 0 BDADRP CCC[NH+]1CCC(N(CCC[NH3+])C(C)C)CC1 ZINC001258764886 986141053 /nfs/dbraw/zinc/14/10/53/986141053.db2.gz UITGDVSDEJINPA-UHFFFAOYSA-N 2 0 241.423 1.920 20 0 BDADRP Cc1ccc(C[NH2+]C[C@H]2CCC[NH2+]CC2)nn1 ZINC001579696774 986182474 /nfs/dbraw/zinc/18/24/74/986182474.db2.gz FCDLETFHHVKQTP-LBPRGKRZSA-N 2 0 234.347 1.264 20 0 BDADRP Cc1ccc(NC(=O)[C@H]2C[C@H]2[NH3+])c(C[NH+](C)C)c1 ZINC001579720156 986201024 /nfs/dbraw/zinc/20/10/24/986201024.db2.gz BNWJLHWGQZXWAW-NWDGAFQWSA-N 2 0 247.342 1.342 20 0 BDADRP Cc1cnn([C@H]2CC[N@@H+](C[C@@H]3C[NH2+]C[C@H]3C)C2)c1 ZINC001579827607 986253401 /nfs/dbraw/zinc/25/34/01/986253401.db2.gz LRJPCLMACZCCGY-RDBSUJKOSA-N 2 0 248.374 1.294 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CC[C@H]([C@H](C)O)C2)CC1 ZINC001462002669 986262461 /nfs/dbraw/zinc/26/24/61/986262461.db2.gz PFTBOIVMLCPZHY-JSGCOSHPSA-N 2 0 240.391 1.421 20 0 BDADRP Cc1ncccc1CC[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001579882234 986296862 /nfs/dbraw/zinc/29/68/62/986296862.db2.gz RGFNDCMXZGNSJG-ROKHWSDSSA-N 2 0 231.343 1.402 20 0 BDADRP Cc1ncsc1CCC[N@@H+]1CC[C@H](C[NH3+])C1 ZINC001579888158 986305683 /nfs/dbraw/zinc/30/56/83/986305683.db2.gz QSWLWMVHAJPOQC-LLVKDONJSA-N 2 0 239.388 1.665 20 0 BDADRP Cc1nn(C)cc1C[NH2+]C[C@H]1CCC[NH2+]CC1 ZINC001579893332 986311236 /nfs/dbraw/zinc/31/12/36/986311236.db2.gz UNSYUQDSTWIDEG-LBPRGKRZSA-N 2 0 236.363 1.208 20 0 BDADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cccnc2N)C1 ZINC001462325813 986350545 /nfs/dbraw/zinc/35/05/45/986350545.db2.gz FZTZPQRFBGABCI-LBPRGKRZSA-N 2 0 248.374 1.485 20 0 BDADRP Cn1cc([C@@H]2C[C@H]2C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cn1 ZINC001579970141 986373690 /nfs/dbraw/zinc/37/36/90/986373690.db2.gz PLUHCDKSYGPOCJ-SCUASFONSA-N 2 0 248.374 1.383 20 0 BDADRP Cn1cncc1C1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC001579985355 986388970 /nfs/dbraw/zinc/38/89/70/986388970.db2.gz ZAMQNRPPNPXOHA-LBPRGKRZSA-N 2 0 248.374 1.209 20 0 BDADRP CC[NH+]1CCC(C[NH2+]C[C@@H]2CCN2C)CC1 ZINC001462598865 986450343 /nfs/dbraw/zinc/45/03/43/986450343.db2.gz YWSZURNNBXCCBB-ZDUSSCGKSA-N 2 0 225.380 1.012 20 0 BDADRP CO[C@H](C)C[N@@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001462656276 986489157 /nfs/dbraw/zinc/48/91/57/986489157.db2.gz WJZPPWVSAYOUQX-XJFOESAGSA-N 2 0 240.391 1.683 20 0 BDADRP [NH3+]CCCCCCC[NH2+][C@@H]1CCCOC1 ZINC001254368515 986597259 /nfs/dbraw/zinc/59/72/59/986597259.db2.gz QTZIQZWPKYDQHW-GFCCVEGCSA-N 2 0 214.353 1.664 20 0 BDADRP [NH3+][C@@H](C[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C1CC1 ZINC001580133466 986602617 /nfs/dbraw/zinc/60/26/17/986602617.db2.gz ZKIVKSFUFKJIQD-QEHJDLSMSA-N 2 0 236.359 1.127 20 0 BDADRP [NH3+]C1(CC[NH2+][C@H]2CCCOCC2)CCOCC1 ZINC001580144339 986609350 /nfs/dbraw/zinc/60/93/50/986609350.db2.gz OVJIITKWXNHOMM-LBPRGKRZSA-N 2 0 242.363 1.043 20 0 BDADRP [NH3+]C1CC([NH2+]CCc2c(F)cc(O)cc2F)C1 ZINC001580162726 986638508 /nfs/dbraw/zinc/63/85/08/986638508.db2.gz DUVSFOMAXNLVPV-UHFFFAOYSA-N 2 0 242.269 1.292 20 0 BDADRP [NH3+]C1CC2(C1)CC([NH2+]Cc1cnc3n1CCC3)C2 ZINC001580166418 986640800 /nfs/dbraw/zinc/64/08/00/986640800.db2.gz RFCAZTCZJVWYJV-UHFFFAOYSA-N 2 0 246.358 1.189 20 0 BDADRP [NH3+]C1CC([NH2+]C[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001580166585 986642477 /nfs/dbraw/zinc/64/24/77/986642477.db2.gz XNXBPYNJKCNXKK-WTIISPKJSA-N 2 0 224.348 1.128 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+][C@H]1COC3(CCC3)C1)C2 ZINC001580166720 986642549 /nfs/dbraw/zinc/64/25/49/986642549.db2.gz RIHKZPJSOHBKPH-BFUDSRACSA-N 2 0 222.332 1.167 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+]Cc1ccc3nonc3c1)C2 ZINC001580165857 986642830 /nfs/dbraw/zinc/64/28/30/986642830.db2.gz NFBAYSXNOOHXOC-BKDHPRRPSA-N 2 0 244.298 1.192 20 0 BDADRP [NH3+]C1CC([NH2+]C[C@@H]2OCc3ccccc32)C1 ZINC001580167118 986644946 /nfs/dbraw/zinc/64/49/46/986644946.db2.gz ZOYKBBLAUKENLR-XIVSLSHWSA-N 2 0 218.300 1.337 20 0 BDADRP [NH3+][C@H]1CC12CC([NH2+][C@@H]1COC3(CCC3)C1)C2 ZINC001580166726 986645351 /nfs/dbraw/zinc/64/53/51/986645351.db2.gz RIHKZPJSOHBKPH-YECOWLKZSA-N 2 0 222.332 1.167 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH+]2CCC[C@@](C)(O)CC2)CC1 ZINC001254515982 986650210 /nfs/dbraw/zinc/65/02/10/986650210.db2.gz IBCLIWQAMCFIQA-UONOGXRCSA-N 2 0 240.391 1.708 20 0 BDADRP COC1(C)CC[NH+]([C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254516778 986659411 /nfs/dbraw/zinc/65/94/11/986659411.db2.gz PCPUIAIRTMZVON-CYBMUJFWSA-N 2 0 240.391 1.972 20 0 BDADRP C[N@@H+]1CCC[C@@H](N2CC([NH+]3CCCC3)C2)CC1 ZINC001254522000 986667284 /nfs/dbraw/zinc/66/72/84/986667284.db2.gz AQRNUKZYKXKWNC-CYBMUJFWSA-N 2 0 237.391 1.251 20 0 BDADRP [NH3+]CC1(C[NH2+]C[C@H](O)CCc2ccccc2)CC1 ZINC001580243945 986694644 /nfs/dbraw/zinc/69/46/44/986694644.db2.gz NDYBTFGGXRHUHL-CQSZACIVSA-N 2 0 248.370 1.309 20 0 BDADRP [NH3+]CC1CC([NH2+][C@@H]2C[C@H]2C(F)(F)F)C1 ZINC001580255707 986708393 /nfs/dbraw/zinc/70/83/93/986708393.db2.gz MXZIGVBJJNZXQO-DWYQZRHDSA-N 2 0 208.227 1.264 20 0 BDADRP [NH3+]CC1CC([NH2+]CC[C@@H]2CCCC[C@@H]2O)C1 ZINC001580254520 986711589 /nfs/dbraw/zinc/71/15/89/986711589.db2.gz DHVBZLXMCGSLIW-MVKMKZAISA-N 2 0 226.364 1.255 20 0 BDADRP [NH3+]C[C@@]12C[N@H+](CCF)C[C@H]1CCCC2 ZINC001580256433 986711934 /nfs/dbraw/zinc/71/19/34/986711934.db2.gz UGRQYOBYWRIYDB-MNOVXSKESA-N 2 0 200.301 1.407 20 0 BDADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)C1 ZINC001580261391 986714153 /nfs/dbraw/zinc/71/41/53/986714153.db2.gz ZFJDCTOWNZXRNT-SYEHKZFSSA-N 2 0 224.348 1.271 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@@H]2CCC[C@@H]2CO)CC1 ZINC001580260722 986715245 /nfs/dbraw/zinc/71/52/45/986715245.db2.gz QQCGKCDNSFCCCJ-POOIEITISA-N 2 0 226.364 1.255 20 0 BDADRP [NH3+]CCC1CC([NH2+]C[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001580287143 986731584 /nfs/dbraw/zinc/73/15/84/986731584.db2.gz RGFFSJGIRBMIIA-HRDQMINSSA-N 3 0 237.391 1.045 20 0 BDADRP [NH3+]Cc1cccc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)c1 ZINC001580342849 986784162 /nfs/dbraw/zinc/78/41/62/986784162.db2.gz LELHVNYDFQHXIX-UONOGXRCSA-N 2 0 232.327 1.102 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC001580389911 986808815 /nfs/dbraw/zinc/80/88/15/986808815.db2.gz WXBXVPCDGUKVSC-GXSJLCMTSA-N 2 0 221.304 1.004 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2CCO)C1 ZINC001580389489 986815622 /nfs/dbraw/zinc/81/56/22/986815622.db2.gz JVTJJZSGYKEKSB-WUHRBBMRSA-N 2 0 226.364 1.255 20 0 BDADRP CCC[N@H+](C[C@H](O)C[NH+](CC)CC)CC1CC1 ZINC000383573868 986817156 /nfs/dbraw/zinc/81/71/56/986817156.db2.gz KOVMOZJXPSYAJJ-CQSZACIVSA-N 2 0 242.407 1.811 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@@H]3[C@H](C2)C3(F)F)C1 ZINC001580419231 986830671 /nfs/dbraw/zinc/83/06/71/986830671.db2.gz ZBDWPHVDDRAZDS-RGOKHQFPSA-N 2 0 216.275 1.311 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]C/C=C/c2ccc(F)cc2)C1 ZINC001580422879 986839328 /nfs/dbraw/zinc/83/93/28/986839328.db2.gz GHJZVQTVBFPMEK-DQOPJHAQSA-N 2 0 220.291 1.918 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC001580423355 986843284 /nfs/dbraw/zinc/84/32/84/986843284.db2.gz XVJCYGPPLROMJG-TXEJJXNPSA-N 2 0 215.300 1.747 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+][C@H]2CCCSCC2)C1 ZINC001580430792 986848425 /nfs/dbraw/zinc/84/84/25/986848425.db2.gz ZVBSIZKSABESJT-GUBZILKMSA-N 2 0 200.351 1.351 20 0 BDADRP Nc1ncccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001580472622 986869002 /nfs/dbraw/zinc/86/90/02/986869002.db2.gz QJXNFUSPNDGKPE-RAIGVLPGSA-N 2 0 246.358 1.142 20 0 BDADRP CC[NH+]1C[C@@H]2C[NH+]([C@H]3CCSC3)C[C@H]2C1 ZINC001255296267 986898331 /nfs/dbraw/zinc/89/83/31/986898331.db2.gz RBTPXSNBSMRHDI-UTUOFQBUSA-N 2 0 226.389 1.375 20 0 BDADRP CN1CCC[C@@H]([N@H+](C)CC2CC[NH+](C)CC2)C1 ZINC001255486656 986988229 /nfs/dbraw/zinc/98/82/29/986988229.db2.gz MYCCRIQIIJXCHI-CQSZACIVSA-N 2 0 239.407 1.354 20 0 BDADRP c1[nH+]cn2cc(-c3ncnc4c3C[NH2+]C4)ccc12 ZINC001245895650 987107605 /nfs/dbraw/zinc/10/76/05/987107605.db2.gz DZJGSZPGFYHVRV-UHFFFAOYSA-N 2 0 237.266 1.395 20 0 BDADRP CCC[C@H](O)C[NH2+]C[C@H]1CC[C@H](C)[NH2+]C1 ZINC001245974805 987253832 /nfs/dbraw/zinc/25/38/32/987253832.db2.gz NXIPJEWJWLMZML-TUAOUCFPSA-N 2 0 214.353 1.125 20 0 BDADRP CCCCC[C@H](O)C[NH2+]CC1([NH3+])CCCC1 ZINC001245973898 987254520 /nfs/dbraw/zinc/25/45/20/987254520.db2.gz IXBVLVXLYUKUEY-LBPRGKRZSA-N 2 0 228.380 1.789 20 0 BDADRP CCCCC[C@H](O)C[NH2+]C[C@@H]1C[NH2+]CC[C@H]1C ZINC001245980259 987254546 /nfs/dbraw/zinc/25/45/46/987254546.db2.gz CCBVWPIBJXLYHZ-RDBSUJKOSA-N 2 0 242.407 1.763 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1C[NH2+]C[C@@H](O)c1ccccc1 ZINC001245983133 987257861 /nfs/dbraw/zinc/25/78/61/987257861.db2.gz MTCXXXCIZSZVNH-BPLDGKMQSA-N 2 0 248.370 1.555 20 0 BDADRP C[C@@H]1C[C@@H]1[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256677135 987261569 /nfs/dbraw/zinc/26/15/69/987261569.db2.gz KZFOJNQJMCXAEM-RYSNWHEDSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1C[NH2+]C[C@@H](O)c1ccccc1 ZINC001245983135 987261840 /nfs/dbraw/zinc/26/18/40/987261840.db2.gz MTCXXXCIZSZVNH-VHDGCEQUSA-N 2 0 248.370 1.555 20 0 BDADRP CCCCC[C@H](O)C[NH2+]C[C@H]1C[NH2+]C[C@H](C)C1 ZINC001245988708 987274321 /nfs/dbraw/zinc/27/43/21/987274321.db2.gz FEZJZPHGIVMINI-MCIONIFRSA-N 2 0 242.407 1.763 20 0 BDADRP COc1cccc([C@@H](O)C[NH2+]CC[C@H](C)[NH3+])c1 ZINC001246000594 987286311 /nfs/dbraw/zinc/28/63/11/987286311.db2.gz LLVYMRKMEJZZCS-GWCFXTLKSA-N 2 0 238.331 1.056 20 0 BDADRP CC[C@H]1C[N@H+](CC2CC[NH+](C)CC2)C[C@@H]1O ZINC000691358428 987287586 /nfs/dbraw/zinc/28/75/86/987287586.db2.gz HLWURWGAZLVAFC-STQMWFEESA-N 2 0 226.364 1.031 20 0 BDADRP CCC[C@H](O)C[NH2+][C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001246002560 987288304 /nfs/dbraw/zinc/28/83/04/987288304.db2.gz UIYDIFVUPLAIAO-XQQFMLRXSA-N 2 0 226.364 1.541 20 0 BDADRP CCCC[C@H](O)C[NH2+]C[C@@H]1CC[NH2+]C[C@@H]1F ZINC001246012724 987293096 /nfs/dbraw/zinc/29/30/96/987293096.db2.gz OKUDXMZJXPZOOR-SRVKXCTJSA-N 2 0 232.343 1.075 20 0 BDADRP CCCCC[C@H](O)C[NH+]1CCC(C[NH3+])CC1 ZINC001246017711 987301837 /nfs/dbraw/zinc/30/18/37/987301837.db2.gz SUUWYCQXEHLDFC-ZDUSSCGKSA-N 2 0 228.380 1.598 20 0 BDADRP CC(C)[C@@H](O)C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246018623 987307531 /nfs/dbraw/zinc/30/75/31/987307531.db2.gz FZZPMTQBFCKVPS-NWDGAFQWSA-N 2 0 214.353 1.207 20 0 BDADRP CCOCC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693664862 987312297 /nfs/dbraw/zinc/31/22/97/987312297.db2.gz OBWVUFYUBKPYMJ-GRYCIOLGSA-N 2 0 226.364 1.389 20 0 BDADRP CCCC[C@@H](O)C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246025344 987320785 /nfs/dbraw/zinc/32/07/85/987320785.db2.gz WWWSCXFZBIBQBA-KGLIPLIRSA-N 2 0 242.407 1.988 20 0 BDADRP CC(C)[C@H](O)C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246023982 987321090 /nfs/dbraw/zinc/32/10/90/987321090.db2.gz TWGWLVHZEJEDIN-OLZOCXBDSA-N 2 0 228.380 1.454 20 0 BDADRP C[C@H](Cc1ccccn1)[NH2+][C@@H](C)CC[NH+](C)C ZINC000694063593 987321805 /nfs/dbraw/zinc/32/18/05/987321805.db2.gz NYFRFBZWOSESEB-QWHCGFSZSA-N 2 0 235.375 1.942 20 0 BDADRP C[N@H+](C[C@H]1CCOC1)C[C@@H]1CCCC[NH2+]C1 ZINC000697034959 987347687 /nfs/dbraw/zinc/34/76/87/987347687.db2.gz QBRBQAWHPBABHV-CHWSQXEVSA-N 2 0 226.364 1.344 20 0 BDADRP CC(C)[C@@H]1C[C@@H](NCC2([NH3+])CCCC2)CC[NH2+]1 ZINC001246075126 987362549 /nfs/dbraw/zinc/36/25/49/987362549.db2.gz HUPCXUMCCBGGIK-STQMWFEESA-N 2 0 239.407 1.624 20 0 BDADRP CCOCC[C@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC001246074384 987363114 /nfs/dbraw/zinc/36/31/14/987363114.db2.gz CULDFJHNJLDYRX-NSHDSACASA-N 2 0 214.353 1.663 20 0 BDADRP CC(C)[C@@H]1C[C@H](NCC2([NH3+])CCCC2)CC[NH2+]1 ZINC001246075122 987363717 /nfs/dbraw/zinc/36/37/17/987363717.db2.gz HUPCXUMCCBGGIK-OLZOCXBDSA-N 2 0 239.407 1.624 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)NCC1([NH3+])CCCC1 ZINC001246075664 987364190 /nfs/dbraw/zinc/36/41/90/987364190.db2.gz MBNPWVKLSPZDIF-CYBMUJFWSA-N 2 0 241.423 1.968 20 0 BDADRP CCCC[C@@H]1C[C@@H](NC2CC[NH2+]CC2)CC[NH2+]1 ZINC001246076120 987364746 /nfs/dbraw/zinc/36/47/46/987364746.db2.gz ASFZHSPANCQWLC-KGLIPLIRSA-N 2 0 239.407 1.639 20 0 BDADRP C[C@@H]1CC([NH2+]CC2([NH3+])CCCC2)C[C@@H](C)O1 ZINC001246077575 987368395 /nfs/dbraw/zinc/36/83/95/987368395.db2.gz XFDSTCIDYPXDAT-GHMZBOCLSA-N 2 0 226.364 1.804 20 0 BDADRP [NH3+]C1(CN[C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CCCC1 ZINC001246076252 987369104 /nfs/dbraw/zinc/36/91/04/987369104.db2.gz NZUWROBYUFSBJH-CLLJXQQHSA-N 2 0 237.391 1.521 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N[C@@H]1CC[NH2+]C[C@H]1F ZINC001246080122 987373872 /nfs/dbraw/zinc/37/38/72/987373872.db2.gz DRJPCFJTWGECBJ-YNEHKIRRSA-N 2 0 245.386 1.396 20 0 BDADRP C[C@H]1CC[C@H](N[C@H]2CC3CC[NH+](CC3)C2)C[NH2+]1 ZINC001246081284 987377640 /nfs/dbraw/zinc/37/76/40/987377640.db2.gz RSIVNCHCTXZWQX-UBHSHLNASA-N 2 0 237.391 1.201 20 0 BDADRP C[C@@H]1CC[C@H](CN[C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)C[NH2+]1 ZINC001246086440 987383678 /nfs/dbraw/zinc/38/36/78/987383678.db2.gz AHRGTXPTCKMFOK-PEBLQZBPSA-N 2 0 239.407 1.493 20 0 BDADRP CCC[C@H](CC)[NH2+]C[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001246085705 987385412 /nfs/dbraw/zinc/38/54/12/987385412.db2.gz YFSWQOLSXIVJMH-SDDRHHMPSA-N 2 0 232.343 1.217 20 0 BDADRP Cc1ccc(C[NH3+])nc1N(C)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246086503 987386515 /nfs/dbraw/zinc/38/65/15/987386515.db2.gz CODZTIGSSQLJFC-YPMHNXCESA-N 2 0 248.374 1.425 20 0 BDADRP Cc1cc(C)n(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC001246085147 987387028 /nfs/dbraw/zinc/38/70/28/987387028.db2.gz NYIALMUDPOOBSR-PBWFPOADSA-N 2 0 248.374 1.373 20 0 BDADRP C[C@H]1CC[C@H]([NH2+]C2CCC3(C[NH2+]C3)CC2)CN1 ZINC001246087586 987388779 /nfs/dbraw/zinc/38/87/79/987388779.db2.gz YWUSHIITBRADNE-AAEUAGOBSA-N 2 0 237.391 1.249 20 0 BDADRP C[C@@H]1CC[C@H](CN[C@@H]2CCCC[NH2+]C2)C[NH2+]1 ZINC001246089492 987394566 /nfs/dbraw/zinc/39/45/66/987394566.db2.gz CZWZLKKXQDCGNF-FRRDWIJNSA-N 2 0 225.380 1.106 20 0 BDADRP C1C[C@H]2C[C@H](N[C@H]3CCCC[NH2+]C3)C[C@@H]1[NH2+]2 ZINC001246090913 987398373 /nfs/dbraw/zinc/39/83/73/987398373.db2.gz MTBHUGAUFMMJGZ-RNJOBUHISA-N 2 0 223.364 1.001 20 0 BDADRP C[N@@H+]1CCC[C@H](N[C@@H]2CCCC[NH2+]C2)CC1 ZINC001246093080 987401248 /nfs/dbraw/zinc/40/12/48/987401248.db2.gz VCJZHEPRBRHJJD-QWHCGFSZSA-N 2 0 225.380 1.202 20 0 BDADRP C[C@@]1(C[NH2+][C@@H]2CCCNC2)CCC[NH2+]CC1 ZINC001246093030 987402951 /nfs/dbraw/zinc/40/29/51/987402951.db2.gz GRCCZCBSMWTVKM-CHWSQXEVSA-N 2 0 225.380 1.108 20 0 BDADRP C[C@H]1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)O3)C[NH2+]1 ZINC001246096053 987405028 /nfs/dbraw/zinc/40/50/28/987405028.db2.gz LOKTWMWJVZGLFG-PJIALRRASA-N 2 0 238.375 1.674 20 0 BDADRP C[C@H](Cc1ccccn1)[NH2+]C[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246096042 987405251 /nfs/dbraw/zinc/40/52/51/987405251.db2.gz LLINLWQTTKOSSB-MGPQQGTHSA-N 2 0 247.386 1.990 20 0 BDADRP COC1CCC([NH2+]C[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246095571 987406134 /nfs/dbraw/zinc/40/61/34/987406134.db2.gz LGMOGJXLYYQXMD-IWMBGFJWSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1CCCC[NH2+]C1 ZINC001246097323 987409553 /nfs/dbraw/zinc/40/95/53/987409553.db2.gz OCZQSWRTCITVME-AGIUHOORSA-N 2 0 225.380 1.106 20 0 BDADRP CC[NH+]1CCC(NC[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246098974 987413590 /nfs/dbraw/zinc/41/35/90/987413590.db2.gz QSHYTQBWPDFXLD-CHWSQXEVSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H](Cc1ccccn1)N[C@@H]1C[NH2+]CC[C@H]1C ZINC001246099998 987418621 /nfs/dbraw/zinc/41/86/21/987418621.db2.gz CCNHCHZAXYYYCO-MBNYWOFBSA-N 2 0 233.359 1.600 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](C[NH2+][C@@H]2CCCSC2)C1 ZINC001246100005 987420108 /nfs/dbraw/zinc/42/01/08/987420108.db2.gz NDWDLBPDVTZHIS-QJPTWQEYSA-N 2 0 228.405 1.717 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCCSC2)C[NH2+]1 ZINC001246101098 987425362 /nfs/dbraw/zinc/42/53/62/987425362.db2.gz VEBWYFVMXNENEF-GRYCIOLGSA-N 2 0 228.405 1.860 20 0 BDADRP C[C@@H]1CC[C@H](CN[C@H]2CC[NH2+][C@H](C)C2)[NH2+]C1 ZINC001246104423 987426467 /nfs/dbraw/zinc/42/64/67/987426467.db2.gz JQZAPIFUZRCCMN-FVCCEPFGSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@H]1[NH2+]CC[C@H]1N[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246103901 987428980 /nfs/dbraw/zinc/42/89/80/987428980.db2.gz YXWGHYKFPAYHHB-FDYHWXHSSA-N 2 0 239.407 1.493 20 0 BDADRP C[NH2+]CC[C@H](C)NC[C@]1(C)CCCC[NH2+]C1 ZINC001246104111 987429690 /nfs/dbraw/zinc/42/96/90/987429690.db2.gz UJPWITDYDHEMLT-QWHCGFSZSA-N 2 0 227.396 1.354 20 0 BDADRP C[C@@H]1CC[C@H](CN[C@H]2CC[NH2+]C(C)(C)C2)[NH2+]C1 ZINC001246104993 987432154 /nfs/dbraw/zinc/43/21/54/987432154.db2.gz LFIIUKYYTYFBSZ-FRRDWIJNSA-N 2 0 239.407 1.495 20 0 BDADRP c1cc2c(cc1CN[C@@H]1CCC[NH2+]C1)CC[NH2+]C2 ZINC001246105782 987432417 /nfs/dbraw/zinc/43/24/17/987432417.db2.gz CHHFGMXOKWDXBV-OAHLLOKOSA-N 2 0 245.370 1.174 20 0 BDADRP COC(=O)CC[C@H](C)[NH2+]C[C@H]1CCC[NH2+][C@H]1C ZINC001246105442 987434052 /nfs/dbraw/zinc/43/40/52/987434052.db2.gz AZKUYEVEEQCBLT-SDDRHHMPSA-N 2 0 242.363 1.306 20 0 BDADRP C[C@H]1CC[C@@H]([NH2+]CCCC2CC[NH2+]CC2)CN1 ZINC001246105426 987434339 /nfs/dbraw/zinc/43/43/39/987434339.db2.gz MMJQFBFHVIJOCJ-GXTWGEPZSA-N 2 0 239.407 1.496 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)[NH2+]C1 ZINC001246106606 987438522 /nfs/dbraw/zinc/43/85/22/987438522.db2.gz DWOZSVMILHOYJE-PEBLQZBPSA-N 2 0 240.391 1.920 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[NH2+]CC[C@H]2C)CCO1 ZINC001246110354 987440325 /nfs/dbraw/zinc/44/03/25/987440325.db2.gz HVCNSPWYBJPERW-FDYHWXHSSA-N 2 0 226.364 1.389 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H](C)C[NH2+]2)CCO1 ZINC001246108797 987442695 /nfs/dbraw/zinc/44/26/95/987442695.db2.gz WPEFNHMVOXQNSO-AAVRWANBSA-N 2 0 240.391 1.922 20 0 BDADRP CC[C@@H]1C[C@H](NC[C@@H]2CCC[NH2+][C@H]2C)CC[NH2+]1 ZINC001246111411 987447190 /nfs/dbraw/zinc/44/71/90/987447190.db2.gz OAWZHWAXKCYILH-IGQOVBAYSA-N 3 0 239.407 1.495 20 0 BDADRP CCCC[C@@H]1C[C@H](N[C@H]2C[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC001246113571 987448545 /nfs/dbraw/zinc/44/85/45/987448545.db2.gz DDRBFCDBDCVHSA-DGAVXFQQSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H]1C[C@@H](NC[C@@H]2CCC[NH2+][C@H]2C)C[C@H](C)[NH2+]1 ZINC001246113856 987449312 /nfs/dbraw/zinc/44/93/12/987449312.db2.gz ULSVEWNHRQOSJC-NDKCEZKHSA-N 2 0 239.407 1.493 20 0 BDADRP C[C@@H]1CC[C@H](CN[C@@H]2CCC[NH2+]CC2)[NH2+]C1 ZINC001246113952 987450025 /nfs/dbraw/zinc/45/00/25/987450025.db2.gz OKVDFTAZQWZHBV-JHJVBQTASA-N 2 0 225.380 1.106 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+][C@H]1CCCN(C)C1 ZINC001246113930 987451573 /nfs/dbraw/zinc/45/15/73/987451573.db2.gz UVQGJHKLNGRQRS-XQQFMLRXSA-N 2 0 225.380 1.058 20 0 BDADRP CC[C@@H]1C[C@H](N[C@H]2CC[NH2+]C2)C[C@H](CC)[NH2+]1 ZINC001246115922 987454341 /nfs/dbraw/zinc/45/43/41/987454341.db2.gz KTYFULUQXHWDBW-QNWHQSFQSA-N 2 0 225.380 1.247 20 0 BDADRP C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCC[NH2+]C1 ZINC001246116941 987459860 /nfs/dbraw/zinc/45/98/60/987459860.db2.gz HBKMJLIJIGDMBF-HABKJSAYSA-N 2 0 237.391 1.249 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1C[NH2+][C@H]1COC(C)(C)C1 ZINC001246118011 987463805 /nfs/dbraw/zinc/46/38/05/987463805.db2.gz DUBCJCGSPQBKCD-IJLUTSLNSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@@H]1CC[C@H](N[C@@H]2CCC[NH2+]C[C@H]2C)C[NH2+]1 ZINC001246120207 987467264 /nfs/dbraw/zinc/46/72/64/987467264.db2.gz ZHCVYUOQIVQTAJ-FVCCEPFGSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1CC[C@H](N[C@@H]2CCC[NH2+]C[C@@H]2C)C[NH2+]1 ZINC001246120209 987467864 /nfs/dbraw/zinc/46/78/64/987467864.db2.gz ZHCVYUOQIVQTAJ-QNWHQSFQSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1CC(NC[C@H]2C[NH2+]CC[C@@H]2C)C[C@@H](C)[NH2+]1 ZINC001246120658 987468533 /nfs/dbraw/zinc/46/85/33/987468533.db2.gz NBBYLIVMZKRPGO-UMSGYPCISA-N 2 0 239.407 1.351 20 0 BDADRP C[C@@H]([NH3+])c1nc2ccccc2n1C1CC[NH2+]CC1 ZINC001246121442 987469046 /nfs/dbraw/zinc/46/90/46/987469046.db2.gz QDCLPJFKOUNLDD-SNVBAGLBSA-N 2 0 244.342 1.981 20 0 BDADRP C[C@@H]1C[C@H](N(CC[NH3+])Cc2ccccc2)CC[NH2+]1 ZINC001246132509 987481805 /nfs/dbraw/zinc/48/18/05/987481805.db2.gz YPJXPCBPKKATLC-UKRRQHHQSA-N 2 0 247.386 1.588 20 0 BDADRP C1C[C@@H]2[NH2+]CC[C@]2(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246134778 987488814 /nfs/dbraw/zinc/48/88/14/987488814.db2.gz NVJHVWCUWYEHDD-PJIALRRASA-N 2 0 235.375 1.144 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCC23CC[NH2+]CC3)CC[NH2+]1 ZINC001246136941 987493219 /nfs/dbraw/zinc/49/32/19/987493219.db2.gz GVGALDKDXQXNCU-UPJWGTAASA-N 3 0 237.391 1.249 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC23CC[NH2+]CC3)CC[NH2+]1 ZINC001246136934 987494059 /nfs/dbraw/zinc/49/40/59/987494059.db2.gz GVGALDKDXQXNCU-FRRDWIJNSA-N 3 0 237.391 1.249 20 0 BDADRP C1CC2(C[C@@H]1[NH2+][C@H]1CCCOC1)CC[NH2+]CC2 ZINC001246137656 987494893 /nfs/dbraw/zinc/49/48/93/987494893.db2.gz WZEVRFLUHNLVQB-OLZOCXBDSA-N 2 0 238.375 1.677 20 0 BDADRP CC1(C)CCC([NH2+][C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)CC1 ZINC001246137043 987495150 /nfs/dbraw/zinc/49/51/50/987495150.db2.gz HPEXDRYUNPNFQG-JHJVBQTASA-N 2 0 238.375 1.532 20 0 BDADRP CCCCC[C@@H](CC)[NH2+][C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001246139702 987497462 /nfs/dbraw/zinc/49/74/62/987497462.db2.gz VTBJIPGYTQQLDZ-AAVRWANBSA-N 2 0 240.391 1.922 20 0 BDADRP CC1(C)CCC[C@@H]([NH2+][C@H]2CO[C@@H]3C[NH2+]C[C@H]23)C1 ZINC001246150465 987508849 /nfs/dbraw/zinc/50/88/49/987508849.db2.gz WIZCEZDRNYXRER-FVCCEPFGSA-N 2 0 238.375 1.532 20 0 BDADRP C[C@H]1C[C@H](N[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)CC[NH2+]1 ZINC001246147993 987508864 /nfs/dbraw/zinc/50/88/64/987508864.db2.gz NPWGDBBOQXXEQB-MQLXINIDSA-N 2 0 237.391 1.105 20 0 BDADRP CC(C)(C)OC(=O)CC[NH2+]C1CC[NH2+]CC1 ZINC001246155796 987516816 /nfs/dbraw/zinc/51/68/16/987516816.db2.gz YGPOWNIOGVEUOF-UHFFFAOYSA-N 2 0 228.336 1.060 20 0 BDADRP CCC[NH+](CCC)CCN[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246161002 987521310 /nfs/dbraw/zinc/52/13/10/987521310.db2.gz IFIPBOMVTOWBEN-UONOGXRCSA-N 2 0 241.423 1.839 20 0 BDADRP [NH3+]CCCCCC[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246165903 987526748 /nfs/dbraw/zinc/52/67/48/987526748.db2.gz RZVGANZEICRGOR-LBPRGKRZSA-N 3 0 213.369 1.237 20 0 BDADRP CCCC[N@H+](CC)CCN[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246162770 987527805 /nfs/dbraw/zinc/52/78/05/987527805.db2.gz SDJOZPSNNAYUQE-KGLIPLIRSA-N 2 0 241.423 1.839 20 0 BDADRP CCCC[N@H+](C)CCN[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246167689 987528455 /nfs/dbraw/zinc/52/84/55/987528455.db2.gz AAGQOAZFHXYROR-QWHCGFSZSA-N 2 0 227.396 1.448 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C(C)(C)C ZINC001246169282 987530578 /nfs/dbraw/zinc/53/05/78/987530578.db2.gz CMXVUMWJIVMEMX-MNOVXSKESA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C2CC3(C2)CC[NH2+]CC3)CC[NH2+]1 ZINC001246168595 987534230 /nfs/dbraw/zinc/53/42/30/987534230.db2.gz DYVJZSOMHNRMRX-NEPJUHHUSA-N 3 0 237.391 1.249 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CCCCC[NH+](C)C)CN1 ZINC001246174805 987541621 /nfs/dbraw/zinc/54/16/21/987541621.db2.gz XFHVDXSBHKUTDI-CHWSQXEVSA-N 2 0 227.396 1.448 20 0 BDADRP C(N[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@H]1CCC[NH2+]1 ZINC001246187504 987567073 /nfs/dbraw/zinc/56/70/73/987567073.db2.gz OYDVUXOPGHAXGA-YVECIDJPSA-N 2 0 223.364 1.001 20 0 BDADRP [NH3+]Cc1cnc2c(ccn2[C@@H]2CCC[NH2+]C2)c1 ZINC001246189175 987570795 /nfs/dbraw/zinc/57/07/95/987570795.db2.gz MEBQEUYRPXLEGF-GFCCVEGCSA-N 2 0 230.315 1.420 20 0 BDADRP [NH3+]Cc1cccc(CN[C@@H]2CCCC[NH2+]C2)c1 ZINC001246194204 987584550 /nfs/dbraw/zinc/58/45/50/987584550.db2.gz GKKQAYAOCDGIPL-CQSZACIVSA-N 2 0 233.359 1.377 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C2(C3CCOCC3)CC2)CC[NH2+]1 ZINC001246195464 987586574 /nfs/dbraw/zinc/58/65/74/987586574.db2.gz OLYNWTARDKTRMI-AAEUAGOBSA-N 2 0 238.375 1.676 20 0 BDADRP C[C@@H]1C[C@@H](NC[C@@H]2CCC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC001246199303 987596587 /nfs/dbraw/zinc/59/65/87/987596587.db2.gz UNADWJIHOKRRKP-YVECIDJPSA-N 2 0 225.380 1.105 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)NC[C@@H]1CCC[NH2+]C1 ZINC001246201025 987597218 /nfs/dbraw/zinc/59/72/18/987597218.db2.gz UDKUPUFIUITXLB-ZIAGYGMSSA-N 2 0 241.423 1.696 20 0 BDADRP [NH3+][C@H]1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246204713 987600718 /nfs/dbraw/zinc/60/07/18/987600718.db2.gz YXXSZAKOESLHJM-VEDUHTKKSA-N 3 0 237.391 1.377 20 0 BDADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC001246208031 987603088 /nfs/dbraw/zinc/60/30/88/987603088.db2.gz ZWKRXVMZIUGTHO-KKOKHZNYSA-N 2 0 240.347 1.188 20 0 BDADRP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC001246208028 987603266 /nfs/dbraw/zinc/60/32/66/987603266.db2.gz ZWKRXVMZIUGTHO-DDHJBXDOSA-N 2 0 240.347 1.188 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)CC[NH2+]1 ZINC001246210222 987606658 /nfs/dbraw/zinc/60/66/58/987606658.db2.gz IWYJCIXOGGLHMY-RYUDHWBXSA-N 3 0 225.380 1.106 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)CC[NH2+]1 ZINC001246210220 987606746 /nfs/dbraw/zinc/60/67/46/987606746.db2.gz IWYJCIXOGGLHMY-NEPJUHHUSA-N 3 0 225.380 1.106 20 0 BDADRP CC1(C[NH2+][C@@H]2CCCC[NH2+]C2)CC[NH2+]CC1 ZINC001246209180 987607400 /nfs/dbraw/zinc/60/74/00/987607400.db2.gz FUZYXCUGZPDLCZ-GFCCVEGCSA-N 3 0 225.380 1.108 20 0 BDADRP C[C@H]1C[C@@H](NC[C@H]2CCC[N@H+](C)C2)CC[NH2+]1 ZINC001246220734 987620458 /nfs/dbraw/zinc/62/04/58/987620458.db2.gz FNNJDUJJOCEHAI-XQQFMLRXSA-N 2 0 225.380 1.058 20 0 BDADRP Cc1ccc(C[NH2+]CCC2CC[NH+](C)CC2)nn1 ZINC001473988753 987625438 /nfs/dbraw/zinc/62/54/38/987625438.db2.gz KBLDPSJYKCCOHZ-UHFFFAOYSA-N 2 0 248.374 1.607 20 0 BDADRP C[C@H](N[C@H]1CC[NH2+][C@H](C)C1)c1cncnc1 ZINC001246228561 987627479 /nfs/dbraw/zinc/62/74/79/987627479.db2.gz ILWGIRLOCAQODY-SCVCMEIPSA-N 2 0 220.320 1.268 20 0 BDADRP [NH3+]Cc1ccc2ncn([C@H]3CCC[NH2+]C3)c2c1 ZINC001246231877 987630268 /nfs/dbraw/zinc/63/02/68/987630268.db2.gz SVOXWKUXBTUUHX-NSHDSACASA-N 2 0 230.315 1.420 20 0 BDADRP CO[C@H]1C[NH2+]C[C@@H]1NC1CCC(C(C)C)CC1 ZINC001246237565 987636111 /nfs/dbraw/zinc/63/61/11/987636111.db2.gz AFCWGGMVJWDWFH-HOAMVYINSA-N 2 0 240.391 1.778 20 0 BDADRP C[C@H]1C[C@H]([N@H+](C)C2CCC([NH3+])CC2)CC[NH2+]1 ZINC001246238730 987638435 /nfs/dbraw/zinc/63/84/35/987638435.db2.gz ZGIIDMFQWOQJOS-YWPUVAFDSA-N 3 0 225.380 1.329 20 0 BDADRP CO[C@H]1C[NH2+]C[C@@H]1N[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC001246241235 987642572 /nfs/dbraw/zinc/64/25/72/987642572.db2.gz VPZXYJZGBGZUAT-NDBYEHHHSA-N 2 0 240.391 1.778 20 0 BDADRP Cc1ccnc(CC[NH2+][C@H]2CC[NH2+][C@H](C)C2)c1 ZINC001246255132 987653885 /nfs/dbraw/zinc/65/38/85/987653885.db2.gz KJCJQBDDQBBLTP-OCCSQVGLSA-N 2 0 233.359 1.663 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCOc2ccccn2)CC[NH2+]1 ZINC001246257982 987656320 /nfs/dbraw/zinc/65/63/20/987656320.db2.gz ZMOIXBJGRXRDBF-RYUDHWBXSA-N 2 0 235.331 1.191 20 0 BDADRP [NH3+][C@H]1CCN(C2CC[NH2+]CC2)c2ccccc21 ZINC001246264414 987659170 /nfs/dbraw/zinc/65/91/70/987659170.db2.gz SLWOZGCIXPBLIR-ZDUSSCGKSA-N 2 0 231.343 1.649 20 0 BDADRP C[C@@H]1CC[C@@H](N[C@@H](C[NH3+])Cc2ccccc2)C[NH2+]1 ZINC001246262621 987659240 /nfs/dbraw/zinc/65/92/40/987659240.db2.gz BPIMMTDXMBBMGG-BPLDGKMQSA-N 2 0 247.386 1.287 20 0 BDADRP C[NH+](C)CCC(C)(C)N[C@@H]1CCC[NH2+]C1 ZINC001246269815 987662928 /nfs/dbraw/zinc/66/29/28/987662928.db2.gz YKTLKYLKRWJNME-LLVKDONJSA-N 2 0 213.369 1.058 20 0 BDADRP C[NH2+]CC[C@@H](C)N[C@@H](C[NH3+])Cc1ccccc1 ZINC001246267217 987663509 /nfs/dbraw/zinc/66/35/09/987663509.db2.gz MDRDAJDGLVESNC-TZMCWYRMSA-N 2 0 235.375 1.144 20 0 BDADRP CC[NH2+]CCNC1C[C@H](CC)[NH2+][C@@H](CC)C1 ZINC001246274312 987668442 /nfs/dbraw/zinc/66/84/42/987668442.db2.gz VVRKESGCBSRJTP-RYUDHWBXSA-N 2 0 227.396 1.495 20 0 BDADRP C[C@H]1C[C@H](n2nnc3ccc(C[NH3+])cc32)CC[NH2+]1 ZINC001246276991 987669583 /nfs/dbraw/zinc/66/95/83/987669583.db2.gz FZHXFTNOYTUSQU-GXSJLCMTSA-N 2 0 245.330 1.203 20 0 BDADRP C(CC[NH2+][C@H]1CCCNC1)CC[NH+]1CCCC1 ZINC001246273791 987671020 /nfs/dbraw/zinc/67/10/20/987671020.db2.gz VZIBKNJTVKNZCE-AWEZNQCLSA-N 2 0 239.407 1.594 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C2CCCCC2)CC[NH2+]1 ZINC001246278972 987673104 /nfs/dbraw/zinc/67/31/04/987673104.db2.gz COYPDEQGTCYBIX-KWCYVHTRSA-N 2 0 240.391 1.658 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cc[nH]c(=O)c3)[C@@H]2C1 ZINC001474303318 987683424 /nfs/dbraw/zinc/68/34/24/987683424.db2.gz XGCRAMOHIMRFSL-YNEHKIRRSA-N 2 0 247.342 1.217 20 0 BDADRP [NH3+][C@@H](CN[C@H]1CCCC[NH2+]C1)c1ccccc1 ZINC001246291859 987685902 /nfs/dbraw/zinc/68/59/02/987685902.db2.gz OPZIMESNTGUJEC-KBPBESRZSA-N 2 0 233.359 1.418 20 0 BDADRP CCCC[C@@H]1C[C@@H](N[C@@H](C)CC[NH3+])CC[NH2+]1 ZINC001246299983 987695297 /nfs/dbraw/zinc/69/52/97/987695297.db2.gz LBSKUPMYKLZLHF-XQQFMLRXSA-N 2 0 227.396 1.624 20 0 BDADRP CC[C@H]1C[C@H]([NH2+]CC[C@H](C)[NH3+])CCO1 ZINC001246302687 987700889 /nfs/dbraw/zinc/70/08/89/987700889.db2.gz ADYUMBYCWZMZBG-AXFHLTTASA-N 2 0 200.326 1.271 20 0 BDADRP CCOC(=O)[C@H]1CCC[C@@H]1[NH2+]C1CC[NH2+]CC1 ZINC001246305326 987703479 /nfs/dbraw/zinc/70/34/79/987703479.db2.gz OKQBIAJLMYJFHB-RYUDHWBXSA-N 2 0 240.347 1.060 20 0 BDADRP C[C@H]([NH3+])CC[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC001246307619 987708146 /nfs/dbraw/zinc/70/81/46/987708146.db2.gz ZMZJIUDUFLTKBE-GUBZILKMSA-N 2 0 200.326 1.269 20 0 BDADRP CCOC(=O)CCC[C@@H](C)[NH2+]C[C@@H]([NH3+])CC ZINC001246310966 987712788 /nfs/dbraw/zinc/71/27/88/987712788.db2.gz BCDMFTSMRZRGHG-MNOVXSKESA-N 2 0 230.352 1.435 20 0 BDADRP COC(=O)[C@@H]1CCC[C@@H]1N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246311622 987713394 /nfs/dbraw/zinc/71/33/94/987713394.db2.gz QJSXTCRJWFAAJX-KKOKHZNYSA-N 2 0 240.347 1.058 20 0 BDADRP CC[C@H]1C[C@@H](N[C@@H](C[NH3+])c2ccccc2)CC[NH2+]1 ZINC001246316816 987719272 /nfs/dbraw/zinc/71/92/72/987719272.db2.gz NQOFNBQCJHKAGR-KKUMJFAQSA-N 2 0 247.386 1.807 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246320608 987728554 /nfs/dbraw/zinc/72/85/54/987728554.db2.gz YZLCIGJFKLXKAN-RYUDHWBXSA-N 3 0 225.380 1.236 20 0 BDADRP C[NH2+]CC[C@@H](C)[NH2+]Cc1cccc(C[NH2+]C)c1 ZINC001246321045 987729326 /nfs/dbraw/zinc/72/93/26/987729326.db2.gz AQJKEDYQFXKOEK-GFCCVEGCSA-N 3 0 235.375 1.494 20 0 BDADRP CC1(C)C[C@@H](N[C@H]2C[NH2+]CCC2(C)C)CC[NH2+]1 ZINC001246325222 987730202 /nfs/dbraw/zinc/73/02/02/987730202.db2.gz ITFNFWNBZJNEFQ-RYUDHWBXSA-N 2 0 239.407 1.495 20 0 BDADRP C[NH2+]Cc1cccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC001246324361 987731940 /nfs/dbraw/zinc/73/19/40/987731940.db2.gz NLFOGDRNPKHDOZ-SWLSCSKDSA-N 3 0 247.386 1.636 20 0 BDADRP C[NH2+]Cc1cccc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC001246324359 987732047 /nfs/dbraw/zinc/73/20/47/987732047.db2.gz NLFOGDRNPKHDOZ-IUODEOHRSA-N 3 0 247.386 1.636 20 0 BDADRP CC[C@@H]1C[C@H](NC[C@H]([NH3+])C(C)C)C[C@H](CC)[NH2+]1 ZINC001246332535 987737676 /nfs/dbraw/zinc/73/76/76/987737676.db2.gz NBFDPXSOOFQBIB-DGAVXFQQSA-N 2 0 241.423 1.869 20 0 BDADRP C[NH2+]C1CCC([NH2+][C@H]2CNCCC2(C)C)CC1 ZINC001246333096 987741707 /nfs/dbraw/zinc/74/17/07/987741707.db2.gz UMBBWHSSHHRBDM-BPCQOVAHSA-N 2 0 239.407 1.495 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H]2C[C@@H]3COC[C@H]23)C1 ZINC001474499099 987742238 /nfs/dbraw/zinc/74/22/38/987742238.db2.gz KADGTLSJHGEVLN-RFQIPJPRSA-N 2 0 238.375 1.341 20 0 BDADRP [NH3+][C@@]12CC[C@@]([NH2+]C3C[C@@H]4C=C[C@H](C3)O4)(C1)CCC2 ZINC001246338237 987744707 /nfs/dbraw/zinc/74/47/07/987744707.db2.gz DKMUSSHAAMUCSU-OLMTUDMXSA-N 2 0 248.370 1.866 20 0 BDADRP [NH3+][C@@]12CC[C@@]([NH2+][C@H]3CCCOCC3)(C1)CCC2 ZINC001246340020 987749880 /nfs/dbraw/zinc/74/98/80/987749880.db2.gz KGWROXRMVFAARH-MELADBBJSA-N 2 0 238.375 1.949 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]Cc2cccc(CCO)c2)CC[NH2+]1 ZINC001246354257 987761507 /nfs/dbraw/zinc/76/15/07/987761507.db2.gz DGLDBGBQGBNFEI-IUODEOHRSA-N 2 0 248.370 1.452 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N[C@@H]1CCC[NH2+]C1 ZINC001246351282 987762151 /nfs/dbraw/zinc/76/21/51/987762151.db2.gz UCFNBFRUWIUIGH-CHWSQXEVSA-N 2 0 227.396 1.448 20 0 BDADRP Cc1ccc(C[C@H](C)[NH2+]CCNCC[NH3+])cc1 ZINC001246405156 987786131 /nfs/dbraw/zinc/78/61/31/987786131.db2.gz MUUVGOXTPOJJMV-ZDUSSCGKSA-N 2 0 235.375 1.064 20 0 BDADRP [NH3+]CCNCC[NH2+]C1CCc2ccccc2CC1 ZINC001246403738 987788766 /nfs/dbraw/zinc/78/87/66/987788766.db2.gz HNGBPSOFXIBGEC-UHFFFAOYSA-N 2 0 247.386 1.072 20 0 BDADRP CCOC1CCC([NH2+][C@H]2CC23C[NH2+]C3)CC1 ZINC001246445273 987797874 /nfs/dbraw/zinc/79/78/74/987797874.db2.gz NKNJQARNDDDLNT-MCIGGMRASA-N 2 0 224.348 1.286 20 0 BDADRP Fc1cccnc1C1(C[NH2+]C2CC[NH2+]CC2)CC1 ZINC001246438907 987800380 /nfs/dbraw/zinc/80/03/80/987800380.db2.gz KLGHYIACRCNZTJ-UHFFFAOYSA-N 2 0 249.333 1.594 20 0 BDADRP C[C@H]1C[C@H]([NH2+][C@@H]2CC23C[NH2+]C3)C[C@@H](C)C1 ZINC001246445557 987801620 /nfs/dbraw/zinc/80/16/20/987801620.db2.gz PAJNUHBTPZNBEY-NOOOWODRSA-N 2 0 208.349 1.763 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+][C@H]2CC23C[NH2+]C3)C[C@@H]1C ZINC001246446707 987804655 /nfs/dbraw/zinc/80/46/55/987804655.db2.gz TUYFHIMKKZHERY-RHYQMDGZSA-N 2 0 208.349 1.763 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCc2ccc(CO)cc2)CC[NH2+]1 ZINC001246446272 987805299 /nfs/dbraw/zinc/80/52/99/987805299.db2.gz LXQJHVBRDOUBEF-IUODEOHRSA-N 2 0 248.370 1.452 20 0 BDADRP C[C@@H]1C[C@H](n2c(C[NH3+])nc3cnccc32)CC[NH2+]1 ZINC001246446207 987807111 /nfs/dbraw/zinc/80/71/11/987807111.db2.gz KSXFHHAMOFPFBH-NXEZZACHSA-N 2 0 245.330 1.203 20 0 BDADRP COc1ccccc1C[C@H](C)[NH2+][C@@H]1CC12C[NH2+]C2 ZINC001246446863 987807144 /nfs/dbraw/zinc/80/71/44/987807144.db2.gz ULYKQLFWYIWGSK-SMDDNHRTSA-N 2 0 246.354 1.578 20 0 BDADRP C1[C@@H]([NH2+]C2CCC3(CC[NH2+]CC3)CC2)C12C[NH2+]C2 ZINC001246446364 987807211 /nfs/dbraw/zinc/80/72/11/987807211.db2.gz RPEXNVITXAAKSD-CYBMUJFWSA-N 2 0 249.402 1.250 20 0 BDADRP CCC[C@@]1(CN[C@H]2CC[NH2+][C@@H](CC)C2)CC[NH2+]1 ZINC001246454581 987808741 /nfs/dbraw/zinc/80/87/41/987808741.db2.gz CLFACPLKSMXXLN-IHRRRGAJSA-N 2 0 239.407 1.639 20 0 BDADRP COc1ccc(N[C@H]2CC[C@H](C)[NH2+]C2)cc1C[NH3+] ZINC001246453926 987809382 /nfs/dbraw/zinc/80/93/82/987809382.db2.gz RFCVIQCUGURTTI-GWCFXTLKSA-N 2 0 249.358 1.706 20 0 BDADRP CSCC[C@@H](C)[NH2+]CCCNCCC[NH3+] ZINC001246451404 987809969 /nfs/dbraw/zinc/80/99/69/987809969.db2.gz GDXRMIDZONFFCQ-LLVKDONJSA-N 2 0 233.425 1.046 20 0 BDADRP CC(C)[NH2+]CCN[C@@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246452308 987810149 /nfs/dbraw/zinc/81/01/49/987810149.db2.gz JVTWTJWYDRQFKQ-CHWSQXEVSA-N 2 0 227.396 1.351 20 0 BDADRP CCCC[C@@H](CC)[NH2+]CCCNCCC[NH3+] ZINC001246453868 987810866 /nfs/dbraw/zinc/81/08/66/987810866.db2.gz QNONZZBQGNXFCD-CYBMUJFWSA-N 2 0 229.412 1.873 20 0 BDADRP C[NH2+]CC[C@@H](C)[NH2+]C[C@H]1CCC[C@@H](C[NH3+])C1 ZINC001246457695 987816375 /nfs/dbraw/zinc/81/63/75/987816375.db2.gz QHMKWLAJZKELPN-UPJWGTAASA-N 3 0 227.396 1.339 20 0 BDADRP CC[C@]1(N[C@@H]2CC[NH2+][C@H](C(C)C)C2)CC[NH2+]C1 ZINC001246460810 987818783 /nfs/dbraw/zinc/81/87/83/987818783.db2.gz NRMNKHXPKPGIMD-RDBSUJKOSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H]1C[C@@H](Nc2ccc(C[NH3+])c(F)c2)CC[NH2+]1 ZINC001246461074 987819853 /nfs/dbraw/zinc/81/98/53/987819853.db2.gz BXQWWKTVKIEBQD-SKDRFNHKSA-N 2 0 237.322 1.837 20 0 BDADRP c1cc2c(cn1)CCC[C@@H]2N[C@@H]1CCC[NH2+]C1 ZINC001246463727 987824235 /nfs/dbraw/zinc/82/42/35/987824235.db2.gz OOVKIMGBKKICIT-OCCSQVGLSA-N 2 0 231.343 1.801 20 0 BDADRP CC(C)[C@H]1C[C@@H](N[C@H]2C[C@@](C)([NH3+])C2)CC[NH2+]1 ZINC001246466911 987826060 /nfs/dbraw/zinc/82/60/60/987826060.db2.gz XOIPOEPTPPEFOJ-WUHRBBMRSA-N 2 0 225.380 1.232 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2COc3cnccc32)CC[NH2+]1 ZINC001246471081 987828736 /nfs/dbraw/zinc/82/87/36/987828736.db2.gz PYSXWBULAFYGFL-UTUOFQBUSA-N 2 0 247.342 1.288 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001246475463 987830792 /nfs/dbraw/zinc/83/07/92/987830792.db2.gz GGYGYMUAZXKURQ-XQQFMLRXSA-N 3 0 243.370 1.008 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)CCO1 ZINC001246474721 987831025 /nfs/dbraw/zinc/83/10/25/987831025.db2.gz AOORXXCUADIPSD-KXNHARMFSA-N 2 0 230.327 1.091 20 0 BDADRP C[NH2+]C1CCC([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001246477927 987833738 /nfs/dbraw/zinc/83/37/38/987833738.db2.gz RMXGZNFEFONQNM-WTIISPKJSA-N 3 0 243.370 1.054 20 0 BDADRP CC1(C)C[C@@H]([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)CC[NH2+]1 ZINC001246477250 987834041 /nfs/dbraw/zinc/83/40/41/987834041.db2.gz NFDRBDHZBSCBHQ-SRVKXCTJSA-N 3 0 243.370 1.054 20 0 BDADRP [NH3+][C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCSC1 ZINC001246480317 987837785 /nfs/dbraw/zinc/83/77/85/987837785.db2.gz YNBZYVYAINFCPR-MXWKQRLJSA-N 2 0 214.378 1.742 20 0 BDADRP CC1(C)C[C@@H]([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)CCO1 ZINC001246478977 987838250 /nfs/dbraw/zinc/83/82/50/987838250.db2.gz ZWSLMTGEWQVQNJ-SRVKXCTJSA-N 2 0 244.354 1.481 20 0 BDADRP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2CCCC[C@H]2[NH3+])C1 ZINC001246480480 987838295 /nfs/dbraw/zinc/83/82/95/987838295.db2.gz ZGNAWLHCUQGNOJ-KKOKHZNYSA-N 2 0 240.347 1.188 20 0 BDADRP [NH3+][C@@H]1CCCC[C@@H]1N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246479170 987838962 /nfs/dbraw/zinc/83/89/62/987838962.db2.gz SFDSPCNYNJQXOR-UPJWGTAASA-N 2 0 237.391 1.521 20 0 BDADRP C[NH2+][C@H]1C[C@@H]([NH2+][C@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246493775 987846395 /nfs/dbraw/zinc/84/63/95/987846395.db2.gz FXTBPYYMBAUWPP-IGQOVBAYSA-N 3 0 237.391 1.249 20 0 BDADRP OC[C@H](C[NH2+]C1CC[NH2+]CC1)c1ccccc1 ZINC001246499735 987853389 /nfs/dbraw/zinc/85/33/89/987853389.db2.gz DLZQMGKISSRYQJ-ZDUSSCGKSA-N 2 0 234.343 1.104 20 0 BDADRP COC(=O)[C@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246499421 987854392 /nfs/dbraw/zinc/85/43/92/987854392.db2.gz YDLHFUPTYDIEFY-FIQHERPVSA-N 2 0 240.347 1.058 20 0 BDADRP CC(C)C[C@@H](C[NH3+])NC1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246502464 987855234 /nfs/dbraw/zinc/85/52/34/987855234.db2.gz FGBZHICZEHYFNP-GVXVVHGQSA-N 2 0 227.396 1.478 20 0 BDADRP CC[C@H]1CC(NC23CC([NH3+])(C2)C3)C[C@H](CC)[NH2+]1 ZINC001246500433 987856773 /nfs/dbraw/zinc/85/67/73/987856773.db2.gz ICPWICHCNLSIRU-BCVKRFQSSA-N 2 0 237.391 1.519 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C2(c3ccc(N)cc3)CC2)CC[NH2+]1 ZINC001246504832 987859526 /nfs/dbraw/zinc/85/95/26/987859526.db2.gz SYYOHELLLZXCJQ-FZMZJTMJSA-N 2 0 245.370 1.988 20 0 BDADRP C[NH2+]CCN(C)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246521632 987870255 /nfs/dbraw/zinc/87/02/55/987870255.db2.gz DBDDNKAEMFFWOH-NEPJUHHUSA-N 2 0 227.396 1.304 20 0 BDADRP C[C@@H]1CC[C@@H](n2ccnc2CCC[NH3+])C[NH2+]1 ZINC001246523279 987871581 /nfs/dbraw/zinc/87/15/81/987871581.db2.gz GFKKUFRSVXWZGY-GHMZBOCLSA-N 2 0 222.336 1.087 20 0 BDADRP CCCC[C@@H]1C[C@H](N2CCC[NH2+]CC2)CC[NH2+]1 ZINC001246523209 987871888 /nfs/dbraw/zinc/87/18/88/987871888.db2.gz DLVUYQJXOWIESC-ZIAGYGMSSA-N 2 0 239.407 1.593 20 0 BDADRP CCCC[C@@H]1C[C@@H](N2CCC[NH2+]CC2)CC[NH2+]1 ZINC001246523207 987872344 /nfs/dbraw/zinc/87/23/44/987872344.db2.gz DLVUYQJXOWIESC-KGLIPLIRSA-N 2 0 239.407 1.593 20 0 BDADRP CC[C@H](C)OCC[C@H](C)N1CCC[NH2+]CC1 ZINC001246524366 987875672 /nfs/dbraw/zinc/87/56/72/987875672.db2.gz ITDBGDFKXKRRJR-STQMWFEESA-N 2 0 228.380 1.875 20 0 BDADRP C1C[NH2+]C[C@H](N2CC[C@H]3OCCC[C@H]3C2)C1 ZINC001246524528 987876254 /nfs/dbraw/zinc/87/62/54/987876254.db2.gz GIEPHFQGXATFSD-YNEHKIRRSA-N 2 0 224.348 1.239 20 0 BDADRP C[NH2+]CCN(C)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246525606 987879822 /nfs/dbraw/zinc/87/98/22/987879822.db2.gz YYVDNEDZRBYAFK-UHFFFAOYSA-N 2 0 239.407 1.450 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[C@@](C)([NH3+])C1)C2 ZINC001246531411 987885446 /nfs/dbraw/zinc/88/54/46/987885446.db2.gz QSVNKGMKCFNPEU-ZOBORPQBSA-N 2 0 237.391 1.425 20 0 BDADRP CCC[N@H+](CC1CC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246531838 987886171 /nfs/dbraw/zinc/88/61/71/987886171.db2.gz NYIFHGJVILVPOH-CYBMUJFWSA-N 2 0 237.391 1.202 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@](C)([NH3+])C1)C2 ZINC001246531695 987891644 /nfs/dbraw/zinc/89/16/44/987891644.db2.gz SHDATTLVWABENG-LOWDOPEQSA-N 2 0 223.364 1.035 20 0 BDADRP C[C@H]1CC[C@@H](C[NH3+])N1[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246539166 987898506 /nfs/dbraw/zinc/89/85/06/987898506.db2.gz BTBSCFFPNJJONO-XQQFMLRXSA-N 2 0 237.391 1.473 20 0 BDADRP CCOC(=O)CC[C@@H](C)[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001246539202 987899166 /nfs/dbraw/zinc/89/91/66/987899166.db2.gz CNRODPLDRFNTPW-NEPJUHHUSA-N 2 0 242.363 1.531 20 0 BDADRP CCC[NH+]1CCC(N2[C@@H](C)CC[C@H]2C[NH3+])CC1 ZINC001246539413 987901996 /nfs/dbraw/zinc/90/19/96/987901996.db2.gz CQHOUOZJHOJANM-JSGCOSHPSA-N 2 0 239.407 1.672 20 0 BDADRP CC[C@H]1C[C@@H](N2C[C@H](C)[C@H](C[NH3+])C2)CC[NH2+]1 ZINC001246540732 987906091 /nfs/dbraw/zinc/90/60/91/987906091.db2.gz KAMXNZYKHFLTAN-RNJOBUHISA-N 2 0 225.380 1.044 20 0 BDADRP C[C@@H]1C[C@@H](N2CCC[C@@H]([NH3+])CC2)C[C@H](C)[NH2+]1 ZINC001246544956 987916413 /nfs/dbraw/zinc/91/64/13/987916413.db2.gz IMZQNCBNYHIVID-YVECIDJPSA-N 2 0 225.380 1.329 20 0 BDADRP C[C@H](CC1CC1)[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246543907 987918846 /nfs/dbraw/zinc/91/88/46/987918846.db2.gz OVCXTVZXQUBORI-YPMHNXCESA-N 2 0 226.364 1.351 20 0 BDADRP CCCC[C@@H](C)[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246544208 987922055 /nfs/dbraw/zinc/92/20/55/987922055.db2.gz PMPFLUVEYDFWBS-OLZOCXBDSA-N 2 0 228.380 1.741 20 0 BDADRP C[C@@H]1C[C@@H](N2CCC[C@H]([NH3+])CC2)C[C@H](C)[NH2+]1 ZINC001246544954 987922634 /nfs/dbraw/zinc/92/26/34/987922634.db2.gz IMZQNCBNYHIVID-RNJOBUHISA-N 2 0 225.380 1.329 20 0 BDADRP [NH3+][C@@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001246544745 987923101 /nfs/dbraw/zinc/92/31/01/987923101.db2.gz YNDUOTOBTZGEAB-ODWCKFRGSA-N 2 0 224.348 1.510 20 0 BDADRP COC[C@H]1CCC[N@@H+]1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246547753 987925716 /nfs/dbraw/zinc/92/57/16/987925716.db2.gz NHWGIJJLNODHPZ-IJLUTSLNSA-N 2 0 212.337 1.238 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCN1C1CC[NH+](CC2CC2)CC1 ZINC001246547603 987928883 /nfs/dbraw/zinc/92/88/83/987928883.db2.gz FEELIFJMULXZJI-BXUZGUMPSA-N 2 0 237.391 1.282 20 0 BDADRP CC[C@@H]1C[C@@H](N2CCC[C@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246548056 987934181 /nfs/dbraw/zinc/93/41/81/987934181.db2.gz FGPPGNMBUGNAQT-RDBSUJKOSA-N 2 0 239.407 1.720 20 0 BDADRP C[C@@H]1[C@H](N)CC[N@@H+]1[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246549515 987936155 /nfs/dbraw/zinc/93/61/55/987936155.db2.gz LBWARYWIOGPWNI-XJFOESAGSA-N 2 0 237.391 1.330 20 0 BDADRP C[C@@H]1[C@H](N)CC[N@@H+]1[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246549506 987936839 /nfs/dbraw/zinc/93/68/39/987936839.db2.gz LBWARYWIOGPWNI-RQJABVFESA-N 2 0 237.391 1.330 20 0 BDADRP [NH3+]C[C@@]1(F)CCCN([C@H]2CCCC[NH2+]C2)CC1 ZINC001246549805 987937907 /nfs/dbraw/zinc/93/79/07/987937907.db2.gz NRECYQKKTUHXDV-QWHCGFSZSA-N 2 0 243.370 1.281 20 0 BDADRP C[C@@]1([NH3+])CCC[N@@H+]([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC001246551073 987945491 /nfs/dbraw/zinc/94/54/91/987945491.db2.gz KMAFBWZMSHKQKV-XJFOESAGSA-N 3 0 237.391 1.188 20 0 BDADRP C[C@@H]1CC[C@H](N2CC[C@@H](C)[C@H](C[NH3+])C2)C[NH2+]1 ZINC001246552470 987954411 /nfs/dbraw/zinc/95/44/11/987954411.db2.gz PGEUTPKJSCVWIW-LPWJVIDDSA-N 2 0 225.380 1.044 20 0 BDADRP C[C@@]1([NH3+])CCC[N@@H+](C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001246553403 987956691 /nfs/dbraw/zinc/95/66/91/987956691.db2.gz RMXIEQAFUNZVFT-WTUNAVPPSA-N 2 0 236.359 1.676 20 0 BDADRP [NH3+]C[C@@H]1CN([C@H]2CCC[NH2+]CC2)CCC1(F)F ZINC001246556867 987967391 /nfs/dbraw/zinc/96/73/91/987967391.db2.gz GRDPHCIAOMEYAQ-MNOVXSKESA-N 2 0 247.333 1.044 20 0 BDADRP CCOCC[C@H](C)[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246557381 987977256 /nfs/dbraw/zinc/97/72/56/987977256.db2.gz LHVFVEVRDWOXFQ-STQMWFEESA-N 2 0 246.370 1.954 20 0 BDADRP C[C@@H]1CC[N@@H+]([C@@H]2CCSC2)CC[C@H]1C[NH3+] ZINC001246557240 987978931 /nfs/dbraw/zinc/97/89/31/987978931.db2.gz KDGVICAYJWFDRK-GRYCIOLGSA-N 2 0 228.405 1.799 20 0 BDADRP CC(C)[C@H]1C[C@H](N2CC[C@@H](C)[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246561119 987991329 /nfs/dbraw/zinc/99/13/29/987991329.db2.gz IMXOAWOXLUTLCW-AAVRWANBSA-N 2 0 239.407 1.432 20 0 BDADRP CC(C)C[C@H](C)C[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246560801 987996121 /nfs/dbraw/zinc/99/61/21/987996121.db2.gz TZLWQVWAMNNEHK-REWJHTLYSA-N 2 0 242.407 1.841 20 0 BDADRP C[C@H]1C[C@H]([N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)CCO1 ZINC001246563273 988008840 /nfs/dbraw/zinc/00/88/40/988008840.db2.gz PTRAUMDBKGXJLQ-ZOBORPQBSA-N 2 0 240.391 1.861 20 0 BDADRP C[C@@H]1CC[C@H](N2CCC[C@H](C[NH3+])[C@H](C)C2)C[NH2+]1 ZINC001246564684 988016193 /nfs/dbraw/zinc/01/61/93/988016193.db2.gz FXGNEGGAGLFIOE-SYQHCUMBSA-N 2 0 239.407 1.434 20 0 BDADRP Cc1n[nH]c(=O)c(C[NH2+][C@H](C)C[C@H](C)[NH3+])c1C ZINC001118118275 988019254 /nfs/dbraw/zinc/01/92/54/988019254.db2.gz FAQBVHVWSDJPKX-JGVFFNPUSA-N 2 0 238.335 1.014 20 0 BDADRP [NH3+]C[C@@]1(O)CCCC[N@@H+]([C@@H]2CCCSC2)C1 ZINC001246565883 988030740 /nfs/dbraw/zinc/03/07/40/988030740.db2.gz ZVWSJMNUTSYKPL-NEPJUHHUSA-N 2 0 244.404 1.058 20 0 BDADRP CC[C@H]1CC(N2C[C@@H](C)[C@H]([NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246566099 988030999 /nfs/dbraw/zinc/03/09/99/988030999.db2.gz FJCUGNWCTZHELD-OWTLIXCDSA-N 2 0 239.407 1.575 20 0 BDADRP CC[C@]1(C(=O)Nc2ccc(C[NH3+])cc2)CC[NH2+]C1 ZINC001118134633 988040685 /nfs/dbraw/zinc/04/06/85/988040685.db2.gz AYOBJSJHHDSYPE-AWEZNQCLSA-N 2 0 247.342 1.474 20 0 BDADRP CC(C)[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001321977530 988069695 /nfs/dbraw/zinc/06/96/95/988069695.db2.gz FAXYEQVFABEEAX-NWDGAFQWSA-N 2 0 243.395 1.075 20 0 BDADRP C[N@@H+]1CCC[C@H](N2CCCC[C@](F)(C[NH3+])C2)C1 ZINC001246573452 988076466 /nfs/dbraw/zinc/07/64/66/988076466.db2.gz COQFZENLOMTWPH-STQMWFEESA-N 2 0 243.370 1.234 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@](C)(CO)CC2)CC[NH2+]1 ZINC001246577450 988088673 /nfs/dbraw/zinc/08/86/73/988088673.db2.gz RKTVYEAFRJDHGH-RDBSUJKOSA-N 2 0 240.391 1.611 20 0 BDADRP CCC[C@H](C)CC[C@H](C)[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246580076 988102632 /nfs/dbraw/zinc/10/26/32/988102632.db2.gz KPRXBIDGIPROGO-XUXIUFHCSA-N 2 0 242.407 1.843 20 0 BDADRP CCC[C@H](C)CC[C@@H](C)[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246580068 988103912 /nfs/dbraw/zinc/10/39/12/988103912.db2.gz KPRXBIDGIPROGO-CRWXNKLISA-N 2 0 242.407 1.843 20 0 BDADRP CC(C)CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246581223 988107552 /nfs/dbraw/zinc/10/75/52/988107552.db2.gz ROHJQCLRVVRJRT-FRRDWIJNSA-N 2 0 228.380 1.453 20 0 BDADRP C[N@@H+]1CC[C@@H](N2CCCC[C@@](C)(C[NH3+])C2)C1 ZINC001246583358 988122002 /nfs/dbraw/zinc/12/20/02/988122002.db2.gz JURDXDKFUBVOFZ-OLZOCXBDSA-N 2 0 225.380 1.141 20 0 BDADRP CCC[C@H](C)CC[C@H](C)[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246583658 988125016 /nfs/dbraw/zinc/12/50/16/988125016.db2.gz KPRXBIDGIPROGO-XDQVBPFNSA-N 2 0 242.407 1.843 20 0 BDADRP C[NH2+]CC[C@@H](C)[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246582667 988126168 /nfs/dbraw/zinc/12/61/68/988126168.db2.gz SBMDWPVZQGNKIC-CHWSQXEVSA-N 3 0 227.396 1.435 20 0 BDADRP COC(=O)[C@@H]1CC[C@@H](C)[N@@H+](C2CC[NH2+]CC2)C1 ZINC001246588927 988154693 /nfs/dbraw/zinc/15/46/93/988154693.db2.gz BJBMMNLZRNWFCH-GHMZBOCLSA-N 2 0 240.347 1.012 20 0 BDADRP CCC[NH2+][C@@H](C)C(=O)NCc1ccccc1C[NH3+] ZINC001118260121 988157649 /nfs/dbraw/zinc/15/76/49/988157649.db2.gz CFHUOMKLFFTSEP-NSHDSACASA-N 2 0 249.358 1.150 20 0 BDADRP [NH3+]C[C@H]1CCCC[N@@H+]([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC001246593746 988184292 /nfs/dbraw/zinc/18/42/92/988184292.db2.gz NTHQSXJJANKBBB-MQYQWHSLSA-N 3 0 237.391 1.045 20 0 BDADRP CC(C)(C)[NH+]1CCC(N2CC(C)(C[NH3+])C2)CC1 ZINC001246599854 988206611 /nfs/dbraw/zinc/20/66/11/988206611.db2.gz RGMZBPCVQSQFQU-UHFFFAOYSA-N 2 0 239.407 1.530 20 0 BDADRP CCC[NH+]1CCC(N2CC(C)(C[NH3+])C2)CC1 ZINC001246602471 988213807 /nfs/dbraw/zinc/21/38/07/988213807.db2.gz XVJOVHZBWPVZHC-UHFFFAOYSA-N 2 0 225.380 1.141 20 0 BDADRP C[C@H]1C[C@H](N2CCC[C@]23CCC[NH2+]C3)CC[NH2+]1 ZINC001246613377 988244532 /nfs/dbraw/zinc/24/45/32/988244532.db2.gz YUMWIAPGVGDONT-MJBXVCDLSA-N 2 0 237.391 1.345 20 0 BDADRP CC(C)[NH2+]C[C@@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001495816825 988251569 /nfs/dbraw/zinc/25/15/69/988251569.db2.gz WFELWZWWZAHHBF-GFCCVEGCSA-N 2 0 243.395 1.077 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@]3(C2)CCCCO3)CC[NH2+]1 ZINC001246616244 988255595 /nfs/dbraw/zinc/25/55/95/988255595.db2.gz AKEKWACCMHHPTQ-HZSPNIEDSA-N 2 0 238.375 1.772 20 0 BDADRP CC(C)OCC[C@@H](C)[NH+]1CCC(F)(C[NH3+])CC1 ZINC001246616976 988257582 /nfs/dbraw/zinc/25/75/82/988257582.db2.gz DGLLAYHAYAIGKS-GFCCVEGCSA-N 2 0 246.370 1.953 20 0 BDADRP CCC[C@@H](C)[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246619608 988264630 /nfs/dbraw/zinc/26/46/30/988264630.db2.gz SKWXPOJQZYXCIP-AGIUHOORSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@H]1CC[C@H]([N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)C[NH2+]1 ZINC001246628052 988288119 /nfs/dbraw/zinc/28/81/19/988288119.db2.gz LZAUMBYYKQTIII-FQUUOJAGSA-N 3 0 237.391 1.058 20 0 BDADRP COC1CCC([NH+]2CCC(F)(C[NH3+])CC2)CC1 ZINC001246628613 988300628 /nfs/dbraw/zinc/30/06/28/988300628.db2.gz OILHFKLXVWNUKH-UHFFFAOYSA-N 2 0 244.354 1.707 20 0 BDADRP CC1(C)C[C@H]([NH+]2CCC(F)(C[NH3+])CC2)CC[NH2+]1 ZINC001246629853 988301462 /nfs/dbraw/zinc/30/14/62/988301462.db2.gz QHEUZPWQCXEVAJ-LLVKDONJSA-N 3 0 243.370 1.280 20 0 BDADRP C1C[NH2+][C@@]2(C1)CCCN(C1CC[NH2+]CC1)CC2 ZINC001246629608 988309319 /nfs/dbraw/zinc/30/93/19/988309319.db2.gz FNYWJZQEYKERON-AWEZNQCLSA-N 2 0 237.391 1.347 20 0 BDADRP CCC[C@H](C)[NH+]1CCC(F)(C[NH3+])CC1 ZINC001246632130 988319126 /nfs/dbraw/zinc/31/91/26/988319126.db2.gz ZJFGIEOIQLZOOL-JTQLQIEISA-N 2 0 202.317 1.938 20 0 BDADRP CCC[NH+]1CCC(N2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001246636677 988323289 /nfs/dbraw/zinc/32/32/89/988323289.db2.gz WAMYIUHMKGAMKC-UONOGXRCSA-N 2 0 237.391 1.297 20 0 BDADRP CC(C)OCC[C@H](C)N1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246636378 988323732 /nfs/dbraw/zinc/32/37/32/988323732.db2.gz GMENOACRFSHZPF-YNEHKIRRSA-N 2 0 226.364 1.626 20 0 BDADRP C1[NH2+]CC12CCCN2[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246640506 988335262 /nfs/dbraw/zinc/33/52/62/988335262.db2.gz DTCQHACLEOGOMB-KGLIPLIRSA-N 2 0 249.402 1.347 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246639156 988339690 /nfs/dbraw/zinc/33/96/90/988339690.db2.gz OMOCPIJYFNHPQB-BFHYXJOUSA-N 2 0 239.407 1.543 20 0 BDADRP C1[NH+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC12CCCOC2 ZINC001246640233 988340018 /nfs/dbraw/zinc/34/00/18/988340018.db2.gz TWPWPTYHHUFMBS-FUNVUKJBSA-N 2 0 236.359 1.382 20 0 BDADRP C[C@H]1CC[C@H](N2CCC3(C2)CC[NH2+]CC3)C[NH2+]1 ZINC001246639036 988341966 /nfs/dbraw/zinc/34/19/66/988341966.db2.gz MXVUVTOTOOKDLZ-STQMWFEESA-N 2 0 237.391 1.202 20 0 BDADRP CC[C@@H]1C[C@@H](N2CCCCC23C[NH2+]C3)CC[NH2+]1 ZINC001246641009 988349959 /nfs/dbraw/zinc/34/99/59/988349959.db2.gz GCZARRUZLOZNGT-OLZOCXBDSA-N 2 0 237.391 1.345 20 0 BDADRP C1[NH2+]CC12CCCCN2C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246641003 988350002 /nfs/dbraw/zinc/35/00/02/988350002.db2.gz GCSGEOVKGGXOOM-FUNVUKJBSA-N 2 0 235.375 1.097 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@]3(CCOC3)C2)CC[NH2+]1 ZINC001246645508 988364891 /nfs/dbraw/zinc/36/48/91/988364891.db2.gz BSJWYXHYNVWVKC-RDBSUJKOSA-N 2 0 238.375 1.629 20 0 BDADRP CC(C)[C@H]1C[C@H](N2C[C@@H]3CC[NH2+][C@@H]3C2)CC[NH2+]1 ZINC001246649560 988370023 /nfs/dbraw/zinc/37/00/23/988370023.db2.gz CTTIXGIPBBJOLA-REWJHTLYSA-N 2 0 237.391 1.057 20 0 BDADRP COC[C@@H](C)[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001246653970 988375903 /nfs/dbraw/zinc/37/59/03/988375903.db2.gz GCAHFWOTLZAHGY-TZMCWYRMSA-N 2 0 240.391 1.875 20 0 BDADRP CC[NH2+]CCN(CC)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001497486644 988382342 /nfs/dbraw/zinc/38/23/42/988382342.db2.gz RGOYFFIZGRBQTE-GFCCVEGCSA-N 2 0 243.395 1.031 20 0 BDADRP C1[NH2+]CC12C[C@@H]([N@@H+]1CC[C@H]3CCC[C@@H]3C1)CCN2 ZINC001246655837 988387190 /nfs/dbraw/zinc/38/71/90/988387190.db2.gz LQBYEQZQJNVWLN-MCIONIFRSA-N 2 0 249.402 1.202 20 0 BDADRP C[NH2+]C1CCC([N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC001246664621 988405952 /nfs/dbraw/zinc/40/59/52/988405952.db2.gz NFYLOTAFZNCYRE-BLYZHGLHSA-N 3 0 237.391 1.330 20 0 BDADRP CCCC[C@@H]1C[C@H](N2CC[NH2+][C@H]3C[C@H]32)CC[NH2+]1 ZINC001246667306 988408212 /nfs/dbraw/zinc/40/82/12/988408212.db2.gz YUVKRXXFZPONDG-YIYPIFLZSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@H]1C[C@@H]([NH+]2CCC(C3C[NH2+]C3)CC2)CC[NH2+]1 ZINC001246679507 988424208 /nfs/dbraw/zinc/42/42/08/988424208.db2.gz PXXRZKABZVIIMG-FZMZJTMJSA-N 3 0 237.391 1.058 20 0 BDADRP C[C@H]1C[C@@H]([N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)CC[NH2+]1 ZINC001246679283 988426502 /nfs/dbraw/zinc/42/65/02/988426502.db2.gz TUGMSVWKWBOUSN-YFKTTZPYSA-N 2 0 222.332 1.323 20 0 BDADRP CC(C)[C@@H]1CN([C@H]2CC[C@H](C)[NH2+]C2)CC[NH2+]1 ZINC001246686407 988431686 /nfs/dbraw/zinc/43/16/86/988431686.db2.gz MRNPJPALRPHUCB-AVGNSLFASA-N 2 0 225.380 1.057 20 0 BDADRP C[NH2+]CC[C@H](C)N1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001246692233 988435406 /nfs/dbraw/zinc/43/54/06/988435406.db2.gz NHRNMHLUGPQOJF-RWMBFGLXSA-N 2 0 243.370 1.008 20 0 BDADRP C[C@@H]1C[NH2+][C@@H](C)CN1[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246694361 988443122 /nfs/dbraw/zinc/44/31/22/988443122.db2.gz VYPNENKGQUOMLV-XQQFMLRXSA-N 2 0 237.391 1.343 20 0 BDADRP C[NH2+]Cc1ccc(N[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC001246777159 988452757 /nfs/dbraw/zinc/45/27/57/988452757.db2.gz KATZKJKPHAVHAD-FZMZJTMJSA-N 2 0 233.359 1.958 20 0 BDADRP CCN(C1CC[NH2+]CC1)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246796659 988470071 /nfs/dbraw/zinc/47/00/71/988470071.db2.gz MAJPVOKVPKEWCV-YPMHNXCESA-N 2 0 225.380 1.201 20 0 BDADRP [NH3+][C@H]1C[C@H](c2nc([C@@H]3C[NH+]4CCC3CC4)no2)C1 ZINC001118605728 988478165 /nfs/dbraw/zinc/47/81/65/988478165.db2.gz REOIODJRTNVPFM-GMTAPVOTSA-N 2 0 248.330 1.084 20 0 BDADRP CC1(C)C[C@H](N2CC[NH2+]CC2(C)C)CC[NH2+]1 ZINC001246810436 988492827 /nfs/dbraw/zinc/49/28/27/988492827.db2.gz MYQGEYZNUSUCDN-LLVKDONJSA-N 2 0 225.380 1.201 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N1CC[NH2+]CC1(C)C ZINC001246812285 988497478 /nfs/dbraw/zinc/49/74/78/988497478.db2.gz YIFAWFDOTISATC-CYBMUJFWSA-N 2 0 241.423 1.791 20 0 BDADRP CCOC(=O)CC[N@H+](C)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246815272 988498607 /nfs/dbraw/zinc/49/86/07/988498607.db2.gz XADCKPSJFLOWMR-MNOVXSKESA-N 2 0 228.336 1.012 20 0 BDADRP C1[NH2+]CC12C[C@H]([NH+]1CCCCCCC1)CCN2 ZINC001246815686 988506242 /nfs/dbraw/zinc/50/62/42/988506242.db2.gz ZZKZVMFNGRSQGQ-CYBMUJFWSA-N 2 0 237.391 1.347 20 0 BDADRP CC(C)C[C@H]1CN([C@@H]2CC[C@@H](C)[NH2+]C2)CC[NH2+]1 ZINC001246821301 988507148 /nfs/dbraw/zinc/50/71/48/988507148.db2.gz JKKDFUXBYDDAJT-HZSPNIEDSA-N 2 0 239.407 1.447 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2C[C@@H]([NH3+])CC[C@@H]2C)CC[NH2+]1 ZINC001246822774 988508255 /nfs/dbraw/zinc/50/82/55/988508255.db2.gz MASZKNNWBFBHPT-FQUUOJAGSA-N 2 0 239.407 1.575 20 0 BDADRP C[C@H]1C[C@@H](N2CCC[C@H](F)C2)CC[NH2+]1 ZINC001246822450 988511174 /nfs/dbraw/zinc/51/11/74/988511174.db2.gz ZTXFEWLAVMBTLS-DCAQKATOSA-N 2 0 200.301 1.561 20 0 BDADRP C[C@H]1C[C@H](N2CCC[C@H](F)C2)CC[NH2+]1 ZINC001246822453 988512470 /nfs/dbraw/zinc/51/24/70/988512470.db2.gz ZTXFEWLAVMBTLS-GARJFASQSA-N 2 0 200.301 1.561 20 0 BDADRP CC(C)[C@H]1C[C@H](N2CC[NH2+]C3(CC3)C2)CC[NH2+]1 ZINC001246831210 988520341 /nfs/dbraw/zinc/52/03/41/988520341.db2.gz BXZYGDAWIQVCHW-CHWSQXEVSA-N 2 0 237.391 1.201 20 0 BDADRP Cc1cccc2c1CC[C@@H](N(CC[NH3+])CC[NH3+])C2 ZINC001246829435 988521938 /nfs/dbraw/zinc/52/19/38/988521938.db2.gz GKJAKUOHWKWGNP-CQSZACIVSA-N 2 0 247.386 1.072 20 0 BDADRP CSCC[C@H](C)[N@@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001246851387 988568125 /nfs/dbraw/zinc/56/81/25/988568125.db2.gz FQNISXQEQLKEJB-AXFHLTTASA-N 2 0 214.378 1.551 20 0 BDADRP C[NH2+]Cc1cccc(N[C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC001246854441 988571274 /nfs/dbraw/zinc/57/12/74/988571274.db2.gz UDCVEQJFQHIIHE-SMDDNHRTSA-N 2 0 233.359 1.958 20 0 BDADRP CCN([C@@H]1CCC[NH2+]C1)[C@@H]1CCCC[NH2+]C1 ZINC001246853144 988573727 /nfs/dbraw/zinc/57/37/27/988573727.db2.gz HCOQQRWVKGYBMW-CHWSQXEVSA-N 2 0 225.380 1.202 20 0 BDADRP CCN([C@@H]1CCC[NH2+]C1)[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246854649 988581166 /nfs/dbraw/zinc/58/11/66/988581166.db2.gz QFBOJGFMMCXENY-CHWSQXEVSA-N 2 0 239.407 1.591 20 0 BDADRP CC[N@H+](C1CCC([NH2+]C)CC1)[C@H]1CCCNC1 ZINC001246855730 988583166 /nfs/dbraw/zinc/58/31/66/988583166.db2.gz WVNIPYUXAPCVTQ-RUXDESIVSA-N 2 0 239.407 1.591 20 0 BDADRP CC[C@@H]1C[C@@H](N(CC)[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246856221 988583214 /nfs/dbraw/zinc/58/32/14/988583214.db2.gz ZRFHVXANGUIODV-RDBSUJKOSA-N 2 0 239.407 1.591 20 0 BDADRP CCCCC[C@H](C)[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246858770 988587787 /nfs/dbraw/zinc/58/77/87/988587787.db2.gz HEAWHSJKSQPQMA-ICIURTGMSA-N 2 0 240.391 1.861 20 0 BDADRP C1C[C@@H]2C[C@H](N3C[C@H]4CC[C@@H](C3)[NH2+]C4)C[C@H](C1)[NH2+]2 ZINC001246866355 988621169 /nfs/dbraw/zinc/62/11/69/988621169.db2.gz JNFDWIQMSZQEIU-SBJFKYEJSA-N 2 0 249.402 1.343 20 0 BDADRP CC(C)C[NH+]1CCC(N2C[C@@H]3C[C@]3([NH3+])C2)CC1 ZINC001246867232 988623082 /nfs/dbraw/zinc/62/30/82/988623082.db2.gz HFUIMYVRWJMGPD-JSGCOSHPSA-N 2 0 237.391 1.140 20 0 BDADRP CC(C)(C)[NH+]1CCC(N2C[C@@H]3C[C@]3([NH3+])C2)CC1 ZINC001246868066 988624178 /nfs/dbraw/zinc/62/41/78/988624178.db2.gz JYCYGSLENUWWCB-FZMZJTMJSA-N 2 0 237.391 1.282 20 0 BDADRP C[C@@H]1CC[C@H](N2CCC3(C[NH+](C)C3)CC2)C[NH2+]1 ZINC001246873891 988633845 /nfs/dbraw/zinc/63/38/45/988633845.db2.gz HMIGKVWIUPMONL-OLZOCXBDSA-N 2 0 237.391 1.155 20 0 BDADRP C1[NH2+]CC12C[C@@H]([NH+]1CC3CCC(CC3)C1)CCN2 ZINC001246878741 988644440 /nfs/dbraw/zinc/64/44/40/988644440.db2.gz AWOUWVOLKSLLGH-RUXDESIVSA-N 2 0 249.402 1.202 20 0 BDADRP CC[C@@]12C[C@@H](CO1)[N@@H+]([C@@H]1CC[NH2+][C@@H](C)C1)C2 ZINC001246878310 988645726 /nfs/dbraw/zinc/64/57/26/988645726.db2.gz KKZJVXUZRTZEKF-RNJOBUHISA-N 2 0 224.348 1.380 20 0 BDADRP C1[NH2+]CC12C[C@H]([NH+]1CC3CCC(CC3)C1)CCN2 ZINC001246878740 988646354 /nfs/dbraw/zinc/64/63/54/988646354.db2.gz AWOUWVOLKSLLGH-JXQTWKCFSA-N 2 0 249.402 1.202 20 0 BDADRP C[C@H]1C[C@H]([N@@H+]2CCc3cc(N)ccc3C2)CC[NH2+]1 ZINC001246884385 988648093 /nfs/dbraw/zinc/64/80/93/988648093.db2.gz SRXDHCWAOWKCSZ-XHDPSFHLSA-N 2 0 245.370 1.767 20 0 BDADRP CC(C)[C@H]1[NH2+]CCc2ncn([C@@H]3CCC[NH2+]C3)c21 ZINC001246882359 988648930 /nfs/dbraw/zinc/64/89/30/988648930.db2.gz HVFDZAOYGDDVEI-DGCLKSJQSA-N 2 0 248.374 1.650 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCc3cc(N)ccc3C2)CC[NH2+]1 ZINC001246884381 988649777 /nfs/dbraw/zinc/64/97/77/988649777.db2.gz SRXDHCWAOWKCSZ-IAQYHMDHSA-N 2 0 245.370 1.767 20 0 BDADRP CC1(C)C[C@@H](N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC001246880592 988650256 /nfs/dbraw/zinc/65/02/56/988650256.db2.gz JIUPTWAUMWZKHA-XQQFMLRXSA-N 2 0 237.391 1.343 20 0 BDADRP C1C[NH2+]C[C@@H]([NH+]2CC3CCC(CC3)C2)C1 ZINC001246881148 988651782 /nfs/dbraw/zinc/65/17/82/988651782.db2.gz HFIZJNVWSJSATO-BPCQOVAHSA-N 2 0 208.349 1.860 20 0 BDADRP CN(C[C@@H]1CCC[NH2+]1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246889306 988656245 /nfs/dbraw/zinc/65/62/45/988656245.db2.gz NXNGALYGEKGAHB-CRWXNKLISA-N 2 0 237.391 1.343 20 0 BDADRP CCCC[C@H]1C[C@H](N(CC)CC[NH2+]C)CC[NH2+]1 ZINC001246891705 988658511 /nfs/dbraw/zinc/65/85/11/988658511.db2.gz OGGKFCCGQZHFQF-UONOGXRCSA-N 2 0 241.423 1.839 20 0 BDADRP CC[C@@H]1C[C@@H](N(CC)CC[NH2+]C)CC[NH2+]1 ZINC001246889556 988659013 /nfs/dbraw/zinc/65/90/13/988659013.db2.gz FJJBNPKNRUCOEJ-NEPJUHHUSA-N 2 0 213.369 1.058 20 0 BDADRP CCCC[C@@H]1CN([C@H]2CC[NH2+][C@H](C)C2)CC[NH2+]1 ZINC001246889873 988661706 /nfs/dbraw/zinc/66/17/06/988661706.db2.gz GLIOGILTEIVSMV-MCIONIFRSA-N 2 0 239.407 1.591 20 0 BDADRP CCCC[C@H]1C[C@@H]([N@H+](C)CCO)CC[NH2+]1 ZINC001246913198 988670208 /nfs/dbraw/zinc/67/02/08/988670208.db2.gz PSHPSJGMURAOLD-RYUDHWBXSA-N 2 0 214.353 1.221 20 0 BDADRP CCC1([NH3+])CN([C@H]2CC[NH2+][C@H](C(C)C)C2)C1 ZINC001246895493 988670304 /nfs/dbraw/zinc/67/03/04/988670304.db2.gz UEVSLRJSCUVFOJ-RYUDHWBXSA-N 2 0 225.380 1.186 20 0 BDADRP CCC1([NH3+])CN([C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC001246900345 988674294 /nfs/dbraw/zinc/67/42/94/988674294.db2.gz IBCICBKUVMIZBS-ZSBIGDGJSA-N 2 0 223.364 1.083 20 0 BDADRP CCCC[C@H]1CN([C@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC001246902120 988676776 /nfs/dbraw/zinc/67/67/76/988676776.db2.gz HVJQRYAFLAXYHE-KBPBESRZSA-N 2 0 239.407 1.593 20 0 BDADRP C[N@H+](C1CC1)[C@@H]1CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246906622 988679937 /nfs/dbraw/zinc/67/99/37/988679937.db2.gz COZPBKXBPPYZLO-ZDGFDOJISA-N 2 0 249.402 1.438 20 0 BDADRP CCCC[C@@H]1C[C@@H](N2CC([NH3+])(CC)C2)CC[NH2+]1 ZINC001246903440 988683135 /nfs/dbraw/zinc/68/31/35/988683135.db2.gz XSCDCNHMLNIBLT-OLZOCXBDSA-N 2 0 239.407 1.720 20 0 BDADRP C1[C@H]2C[NH2+]C[C@@H]2N1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246915329 988706726 /nfs/dbraw/zinc/70/67/26/988706726.db2.gz FJPRDXIJFGNVIO-OCCSQVGLSA-N 2 0 249.402 1.202 20 0 BDADRP C[C@@H]1C[C@H](n2ccc3c2CC[NH2+]C3)CC[NH2+]1 ZINC001246920050 988727913 /nfs/dbraw/zinc/72/79/13/988727913.db2.gz ITJWCMBNTHAVHO-ZYHUDNBSSA-N 2 0 219.332 1.447 20 0 BDADRP CN1CCC[C@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]21 ZINC001246923063 988736502 /nfs/dbraw/zinc/73/65/02/988736502.db2.gz YVSUYSOBUKAAEK-DFKRWLTFSA-N 2 0 249.402 1.295 20 0 BDADRP C[C@@H]1CC(N(C)[C@H]2CCCC[C@@H]2[NH3+])C[C@@H](C)[NH2+]1 ZINC001246922624 988737601 /nfs/dbraw/zinc/73/76/01/988737601.db2.gz VKGXZHAFRWVUTK-RFHZTLPTSA-N 2 0 239.407 1.717 20 0 BDADRP CCC[C@@H]1C[NH2+]CCN1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246932519 988758128 /nfs/dbraw/zinc/75/81/28/988758128.db2.gz RGKOILYACVJVLE-RBKKPWLPSA-N 2 0 237.391 1.343 20 0 BDADRP C1C[C@H]2C[C@H]([N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)C[C@@H]1[NH2+]2 ZINC001246933187 988764783 /nfs/dbraw/zinc/76/47/83/988764783.db2.gz QVSJPJCLHRVHQX-SBAKFKMJSA-N 3 0 249.402 1.201 20 0 BDADRP CCOCC[C@H](C)[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246939797 988768059 /nfs/dbraw/zinc/76/80/59/988768059.db2.gz HFASLDCLBDJPFG-MELADBBJSA-N 2 0 240.391 1.733 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2CCC[C@@H]([NH3+])[C@@H]2C)CC[NH2+]1 ZINC001246937912 988770772 /nfs/dbraw/zinc/77/07/72/988770772.db2.gz KDWXUXOAINHPQS-DGAVXFQQSA-N 2 0 239.407 1.575 20 0 BDADRP CCCN([C@@H]1CC[NH2+]C1)[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246944259 988782423 /nfs/dbraw/zinc/78/24/23/988782423.db2.gz WIKHQRKDLZNMEV-RWMBFGLXSA-N 2 0 225.380 1.201 20 0 BDADRP CC(C)N([C@@H]1CCC[NH2+]C1)[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246955391 988786968 /nfs/dbraw/zinc/78/69/68/988786968.db2.gz QHAHMVDWHFZZRT-MJBXVCDLSA-N 2 0 239.407 1.589 20 0 BDADRP CC[N@H+](C)C1CCN([C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246948888 988787685 /nfs/dbraw/zinc/78/76/85/988787685.db2.gz GKUNXDPYYHARLD-TZMCWYRMSA-N 2 0 239.407 1.543 20 0 BDADRP CC(C)CN([C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC001246952174 988789736 /nfs/dbraw/zinc/78/97/36/988789736.db2.gz YQQXZHUDLZUJDB-ZIAGYGMSSA-N 2 0 239.407 1.448 20 0 BDADRP C[NH2+]CC[C@@H](C)N(C(C)C)[C@H]1CC[NH2+]C1 ZINC001246968930 988798282 /nfs/dbraw/zinc/79/82/82/988798282.db2.gz ROACMVTXLCKILF-NEPJUHHUSA-N 2 0 213.369 1.057 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246966980 988794825 /nfs/dbraw/zinc/79/48/25/988794825.db2.gz XWLRMCYGPNRTRW-MCIONIFRSA-N 2 0 241.423 1.789 20 0 BDADRP CC(C)N([C@@H]1CC[NH2+]C1)[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246970225 988798396 /nfs/dbraw/zinc/79/83/96/988798396.db2.gz YGCQTSNTFBKZRI-CHWSQXEVSA-N 2 0 239.407 1.589 20 0 BDADRP CC[C@@H]1C[C@H](N(C(C)C)[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC001246969289 988800459 /nfs/dbraw/zinc/80/04/59/988800459.db2.gz VBIIGPWBKCAARX-MCIONIFRSA-N 2 0 239.407 1.589 20 0 BDADRP CC[C@H]([NH3+])CN(C)C1CC[NH+](CC2CC2)CC1 ZINC001246975503 988803322 /nfs/dbraw/zinc/80/33/22/988803322.db2.gz VFTWHGSQYPJFQP-ZDUSSCGKSA-N 2 0 239.407 1.530 20 0 BDADRP CCC[C@H](C)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001246989445 988819687 /nfs/dbraw/zinc/81/96/87/988819687.db2.gz RPWFETWXBJNZQI-KBPBESRZSA-N 2 0 241.423 1.791 20 0 BDADRP CCC[C@@H](C)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001246989448 988820523 /nfs/dbraw/zinc/82/05/23/988820523.db2.gz RPWFETWXBJNZQI-ZIAGYGMSSA-N 2 0 241.423 1.791 20 0 BDADRP C[C@@H]1CC(N2CC[NH2+]C3=CCCC[C@H]32)C[C@@H](C)[NH2+]1 ZINC001246991369 988823827 /nfs/dbraw/zinc/82/38/27/988823827.db2.gz ANGIPIQPWGXBFU-LALPHHSUSA-N 2 0 249.402 1.857 20 0 BDADRP c1ccc([C@H]2C[C@@H](N3CC[NH2+]C3)CC[NH2+]2)cc1 ZINC001246994387 988827723 /nfs/dbraw/zinc/82/77/23/988827723.db2.gz PRBQBNPQOYJRKC-UONOGXRCSA-N 2 0 231.343 1.342 20 0 BDADRP C[C@@H]1CC[C@@H](N2CCC[C@](C)(C[NH3+])C2)C[NH2+]1 ZINC001247001864 988833062 /nfs/dbraw/zinc/83/30/62/988833062.db2.gz MHMWCKZDADRMFS-JHJVBQTASA-N 2 0 225.380 1.188 20 0 BDADRP CC[N@@H+]1CCN([C@H]2CC[C@H](C)[NH2+]C2)[C@H](C)C1 ZINC001246997356 988833229 /nfs/dbraw/zinc/83/32/29/988833229.db2.gz UDPYIDZINOGPTG-XQQFMLRXSA-N 2 0 225.380 1.153 20 0 BDADRP C1C[NH2+][C@H]2CCN([C@H]3CCCC[NH2+]C3)C[C@H]2C1 ZINC001247014567 988840113 /nfs/dbraw/zinc/84/01/13/988840113.db2.gz LAAAQARWNHOGIQ-RDBSUJKOSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@H]([NH3+])c1nc2cc(-n3ccnc3)c(F)cc2[nH]1 ZINC001247020094 988844210 /nfs/dbraw/zinc/84/42/10/988844210.db2.gz KRMHKLAYLYBJJN-ZETCQYMHSA-N 2 0 245.261 1.907 20 0 BDADRP C[N@@H+]1CCC[C@H](N2CC[C@H]3[NH2+]CCC[C@@H]3C2)C1 ZINC001247016399 988844904 /nfs/dbraw/zinc/84/49/04/988844904.db2.gz UUFLRNCFEQMMGF-HZSPNIEDSA-N 2 0 237.391 1.155 20 0 BDADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)CCCC[NH3+])C1 ZINC001325719218 989239212 /nfs/dbraw/zinc/23/92/12/989239212.db2.gz VWBFDMRNCKPYQQ-KGLIPLIRSA-N 2 0 241.423 1.825 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@H](C)CCCC[NH3+] ZINC001325756452 989242068 /nfs/dbraw/zinc/24/20/68/989242068.db2.gz UYSUJLFRDZQAJJ-GHMZBOCLSA-N 3 0 201.358 1.092 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@@H](CCO)C2CC2)CC1 ZINC001325742053 989246510 /nfs/dbraw/zinc/24/65/10/989246510.db2.gz AGHKFKDAKXIINU-GDKBPFBDSA-N 2 0 226.364 1.255 20 0 BDADRP C[NH2+][C@@H](C)CCN[C@H]1CC[NH2+]C12CCCC2 ZINC001119631200 989266223 /nfs/dbraw/zinc/26/62/23/989266223.db2.gz POYFTRHNJQRPMY-RYUDHWBXSA-N 2 0 225.380 1.249 20 0 BDADRP CC1([NH3+])CC[NH+](Cc2cccc3c[nH]nc32)CC1 ZINC001326200101 989419824 /nfs/dbraw/zinc/41/98/24/989419824.db2.gz ACYDGUBAUJMLHS-UHFFFAOYSA-N 2 0 244.342 1.876 20 0 BDADRP CC[C@]1(C(=O)Nc2cccc(C[NH3+])c2)CC[NH2+]C1 ZINC001326312940 989484308 /nfs/dbraw/zinc/48/43/08/989484308.db2.gz ILYGKXBWYICUCK-AWEZNQCLSA-N 2 0 247.342 1.474 20 0 BDADRP C[C@@H](O)[C@@H](C)[NH2+]CCN1CCC(C)(C)C1 ZINC001120278192 989626845 /nfs/dbraw/zinc/62/68/45/989626845.db2.gz UFUKOFWOOXARNE-GHMZBOCLSA-N 2 0 214.353 1.077 20 0 BDADRP C[NH2+]CCCCC(=O)NCc1ccccc1C[NH3+] ZINC001120546460 989712923 /nfs/dbraw/zinc/71/29/23/989712923.db2.gz CZYUPGXPCIBZML-UHFFFAOYSA-N 2 0 249.358 1.151 20 0 BDADRP C[NH2+]CCN(C(=O)C[C@H]([NH3+])C(C)(C)C)C(C)C ZINC001522791874 989876320 /nfs/dbraw/zinc/87/63/20/989876320.db2.gz QGZIZDBZSQTLMB-NSHDSACASA-N 2 0 243.395 1.206 20 0 BDADRP c1cc(NCC2CC[NH+](C3CC3)CC2)cc[nH+]1 ZINC001120779814 989877931 /nfs/dbraw/zinc/87/79/31/989877931.db2.gz PDRNTHNPOMUDHC-UHFFFAOYSA-N 2 0 231.343 1.790 20 0 BDADRP C[C@@H](Nc1cc[nH+]c(N)n1)C(C)(C)C[NH+](C)C ZINC001120818491 989900964 /nfs/dbraw/zinc/90/09/64/989900964.db2.gz VAYQRJZYHYXCFK-SECBINFHSA-N 2 0 237.351 1.447 20 0 BDADRP C[NH2+]C[C@H](C)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC001523558507 989935141 /nfs/dbraw/zinc/93/51/41/989935141.db2.gz NEVITVPXBSPRMB-JTQLQIEISA-N 2 0 249.358 1.674 20 0 BDADRP CC(C)(C)[C@H]([NH3+])CC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC001121931938 990140956 /nfs/dbraw/zinc/14/09/56/990140956.db2.gz FHXWRZKCRYHZBN-GARJFASQSA-N 2 0 241.379 1.136 20 0 BDADRP C[NH2+]CCCCC(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC001122080563 990227826 /nfs/dbraw/zinc/22/78/26/990227826.db2.gz GVRUMMAOTDMYKC-UHFFFAOYSA-N 2 0 249.358 1.782 20 0 BDADRP CC1(C)CN(C(=O)CCCCCC[NH3+])C[C@H]1[NH3+] ZINC001122168973 990273415 /nfs/dbraw/zinc/27/34/15/990273415.db2.gz SPABNCQBTHFYDY-LLVKDONJSA-N 2 0 241.379 1.091 20 0 BDADRP CC(C)C[C@H]([NH3+])C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001122393326 990369686 /nfs/dbraw/zinc/36/96/86/990369686.db2.gz WNIZHNFITKBVGO-RYUDHWBXSA-N 2 0 241.379 1.008 20 0 BDADRP Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)cn1 ZINC001308554361 991033272 /nfs/dbraw/zinc/03/32/72/991033272.db2.gz OTSQOAFHOQKMIY-SOUVJXGZSA-N 2 0 245.370 1.820 20 0 BDADRP CC[NH+]1CCC(C[NH2+]CC[C@H](C)CCO)CC1 ZINC001308780265 991132439 /nfs/dbraw/zinc/13/24/39/991132439.db2.gz IHMVXBOZZKCYLX-ZDUSSCGKSA-N 2 0 242.407 1.717 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCn3ccnc32)C1 ZINC001308810474 991149315 /nfs/dbraw/zinc/14/93/15/991149315.db2.gz GWPCAHVXKSUSPZ-OLZOCXBDSA-N 2 0 248.374 1.649 20 0 BDADRP CC1(C)CCC[C@@H]([NH2+]CCOCC[NH3+])C1 ZINC001258276661 991203580 /nfs/dbraw/zinc/20/35/80/991203580.db2.gz SEHFOGGSGVYRSN-LLVKDONJSA-N 2 0 214.353 1.520 20 0 BDADRP C[C@@H]1CC[C@H]1[NH2+]C[C@@H]1C[NH+]2CCC1CC2 ZINC001308966225 991231765 /nfs/dbraw/zinc/23/17/65/991231765.db2.gz QDWOOODDABYHDJ-RAIGVLPGSA-N 2 0 208.349 1.716 20 0 BDADRP CSC(C)(C)C[C@H](C)[NH2+]CCN(C)CC[NH3+] ZINC001258333088 991243035 /nfs/dbraw/zinc/24/30/35/991243035.db2.gz LCAJEPSLFAREKO-NSHDSACASA-N 2 0 247.452 1.387 20 0 BDADRP CO[C@H](C)C[N@H+](C)CC(C)(C)C[NH+](C)C ZINC001308969916 991244834 /nfs/dbraw/zinc/24/48/34/991244834.db2.gz YNXMOCRTBIBHEO-LLVKDONJSA-N 2 0 216.369 1.541 20 0 BDADRP COC(=O)CC[C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC001258354940 991288313 /nfs/dbraw/zinc/28/83/13/991288313.db2.gz CVXOSLLJXHUTKC-LLVKDONJSA-N 2 0 244.379 1.506 20 0 BDADRP CCC1(C[NH+]2CCC(C[NH+](C)C)CC2)COC1 ZINC001202958060 991314731 /nfs/dbraw/zinc/31/47/31/991314731.db2.gz LADMRUQVSIGVHE-UHFFFAOYSA-N 2 0 240.391 1.687 20 0 BDADRP CCC1(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)COC1 ZINC001202964012 991339784 /nfs/dbraw/zinc/33/97/84/991339784.db2.gz GQCIYKCOJWXWHS-AWEZNQCLSA-N 2 0 238.375 1.441 20 0 BDADRP CCCCC[C@@H](CC)[NH2+]C[C@H](O)C[NH3+] ZINC001258430280 991360855 /nfs/dbraw/zinc/36/08/55/991360855.db2.gz LKKRKSJUMQVJJR-GHMZBOCLSA-N 2 0 202.342 1.255 20 0 BDADRP CC[NH+](CC)CCN(CC[NH3+])[C@@H](C)CC1CC1 ZINC001258450926 991399439 /nfs/dbraw/zinc/39/94/39/991399439.db2.gz CUVHNCMBXLOHAH-ZDUSSCGKSA-N 2 0 241.423 1.778 20 0 BDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCC[C@H]1C ZINC001560315440 991453194 /nfs/dbraw/zinc/45/31/94/991453194.db2.gz BARGTLKCUHARFP-MGPQQGTHSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@@H](Cc1cccnc1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC001258611163 991533618 /nfs/dbraw/zinc/53/36/18/991533618.db2.gz FYMRKYYJFLMOEI-DZGCQCFKSA-N 2 0 247.386 1.944 20 0 BDADRP CCCC[C@H](CCC)[NH2+]CCOCC[NH3+] ZINC001258755429 991702065 /nfs/dbraw/zinc/70/20/65/991702065.db2.gz NQKKCVJQHOSDKF-LBPRGKRZSA-N 2 0 216.369 1.910 20 0 BDADRP CCC[NH+]1CCC([N@@H+]2CCCC[C@@H](O)C2)CC1 ZINC001258771966 991741472 /nfs/dbraw/zinc/74/14/72/991741472.db2.gz DHVDKEBHHJCCSB-CQSZACIVSA-N 2 0 240.391 1.708 20 0 BDADRP CCC[NH+]1CCC([N@H+]2C[C@H](O)[C@@H](C)C2)CC1 ZINC001258772012 991741912 /nfs/dbraw/zinc/74/19/12/991741912.db2.gz GCXCNLAGJISMCG-AAEUAGOBSA-N 2 0 226.364 1.173 20 0 BDADRP C[C@@H]1CCC[C@@H]([NH2+]CCOCC[NH3+])C1 ZINC001258808311 991811290 /nfs/dbraw/zinc/81/12/90/991811290.db2.gz OXXSGGVAOCGXNF-GHMZBOCLSA-N 2 0 200.326 1.130 20 0 BDADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC1CC[NH+](C)CC1 ZINC001319211329 991814782 /nfs/dbraw/zinc/81/47/82/991814782.db2.gz LWCKWSKJOVFUNF-UONOGXRCSA-N 2 0 239.407 1.543 20 0 BDADRP C[C@@H]1C[NH+](CCCNc2cc[nH+]cc2)C[C@@H](C)O1 ZINC001319288137 991832828 /nfs/dbraw/zinc/83/28/28/991832828.db2.gz XLDUPQPBRYDTML-CHWSQXEVSA-N 2 0 249.358 1.415 20 0 BDADRP CC(C)CC(CC(C)C)[N@H+](CCN)CCO ZINC001258831687 991863954 /nfs/dbraw/zinc/86/39/54/991863954.db2.gz IQKPWCPNJXICPF-UHFFFAOYSA-N 2 0 230.396 1.700 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1CC(O)C1 ZINC001258898510 991891421 /nfs/dbraw/zinc/89/14/21/991891421.db2.gz ZTNQFPGUKVJUEV-PNESKVBLSA-N 2 0 228.380 1.610 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1C[C@@H](CO)C1 ZINC001258899155 991897098 /nfs/dbraw/zinc/89/70/98/991897098.db2.gz GPVYJYCLFFTODV-MCIONIFRSA-N 2 0 242.407 1.857 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[N@H+](C)CCN(C)C ZINC001258907374 991900415 /nfs/dbraw/zinc/90/04/15/991900415.db2.gz JWNJHADEKSOUNG-AWEZNQCLSA-N 2 0 243.439 1.990 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@@H]1CO ZINC001258910759 991901268 /nfs/dbraw/zinc/90/12/68/991901268.db2.gz UPKJGSPADMMTFQ-ZIAGYGMSSA-N 2 0 242.407 1.954 20 0 BDADRP CC[N@@H+]1CCC[C@H](CN[C@H]2C[NH+](C)C[C@@H]2C)C1 ZINC001319751999 991962878 /nfs/dbraw/zinc/96/28/78/991962878.db2.gz QFMAKHOOUNFWMF-MJBXVCDLSA-N 2 0 239.407 1.258 20 0 BDADRP Cc1cc(NC(=O)C[N@@H+](C)C(C)C)cc(C)n1 ZINC001320269601 992148859 /nfs/dbraw/zinc/14/88/59/992148859.db2.gz ZHUNQXCFSYDTSJ-UHFFFAOYSA-N 2 0 235.331 1.399 20 0 BDADRP CC[NH2+][C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C(C)C ZINC001568466761 992169532 /nfs/dbraw/zinc/16/95/32/992169532.db2.gz GMIBYPWKYSHQFU-VXGBXAGGSA-N 2 0 243.395 1.077 20 0 BDADRP CCC[N@H+](C)CC(=O)N[C@H](C)CC[NH2+]C(C)C ZINC001320614250 992276002 /nfs/dbraw/zinc/27/60/02/992276002.db2.gz JRCFKXQQDIZNMY-GFCCVEGCSA-N 2 0 243.395 1.221 20 0 BDADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001261515284 992361446 /nfs/dbraw/zinc/36/14/46/992361446.db2.gz BORFXDWHWWVHNN-IHRRRGAJSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12)[C@@H]1CC1(F)F ZINC001474757332 992529894 /nfs/dbraw/zinc/52/98/94/992529894.db2.gz UVXAZTYAPGTOLK-KZZRWZIVSA-N 2 0 244.329 1.960 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2OC)C1 ZINC001262483773 992890716 /nfs/dbraw/zinc/89/07/16/992890716.db2.gz NDZFEMTXZNKJRJ-MGPQQGTHSA-N 2 0 240.391 1.875 20 0 BDADRP CCC[NH2+]CCNC[C@H]([NH3+])CCC(C)(C)C ZINC001262488039 992892740 /nfs/dbraw/zinc/89/27/40/992892740.db2.gz NWHDRBLYTQKUED-GFCCVEGCSA-N 2 0 229.412 1.729 20 0 BDADRP C1C[C@@H](C2CC[NH+]([C@@H]3CCOC3)CC2)C[NH2+]1 ZINC001574774348 992900710 /nfs/dbraw/zinc/90/07/10/992900710.db2.gz LAIFFTKLDLOLTP-CHWSQXEVSA-N 2 0 224.348 1.097 20 0 BDADRP C1C[C@H]2C[C@@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)[C@@H]1O2 ZINC001574794553 992907070 /nfs/dbraw/zinc/90/70/70/992907070.db2.gz DUZDEMNLRHYTDP-YOVYLDAJSA-N 2 0 236.359 1.284 20 0 BDADRP C([NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)[C@H]1CCC[NH2+]1 ZINC001574798971 992909739 /nfs/dbraw/zinc/90/97/39/992909739.db2.gz BJVKLZKIIYRXLU-BBMNEWJDSA-N 2 0 236.359 1.142 20 0 BDADRP C1C[C@H]([NH2+][C@H]2CC[C@H]3[NH2+]CCC[C@@H]3C2)CO1 ZINC001574798999 992911714 /nfs/dbraw/zinc/91/17/14/992911714.db2.gz BVXKMCGCIZTWOP-MROQNXINSA-N 2 0 224.348 1.286 20 0 BDADRP C1C[C@H]2C[C@@H](N[C@H]3C[C@H]4CC[C@@H]3[NH2+]4)CC[N@@H+]2C1 ZINC001574794684 992912118 /nfs/dbraw/zinc/91/21/18/992912118.db2.gz HRZQXTNTZMTROF-QMVSFRDZSA-N 2 0 235.375 1.096 20 0 BDADRP C([NH2+][C@]12CCC[C@H]1OCC2)[C@@H]1CCC[NH2+]C1 ZINC001574801804 992914544 /nfs/dbraw/zinc/91/45/44/992914544.db2.gz XIOOJVXPQURVOO-UPJWGTAASA-N 2 0 224.348 1.287 20 0 BDADRP C(C[C@@H]1CCOC1)[NH2+][C@]12CCC[C@H]1C[NH2+]C2 ZINC001574816720 992918148 /nfs/dbraw/zinc/91/81/48/992918148.db2.gz KWBFXWVRNXKIAR-AGIUHOORSA-N 2 0 224.348 1.145 20 0 BDADRP C([NH2+]C1([C@H]2CCCO2)CCC1)[C@@H]1CC[NH2+]C1 ZINC001574816508 992918637 /nfs/dbraw/zinc/91/86/37/992918637.db2.gz GXFJTAZUCPXTBL-VXGBXAGGSA-N 2 0 224.348 1.287 20 0 BDADRP CC(C)(C)OC(=O)CCN1CCC[C@@H]1C[NH3+] ZINC001575161046 993000304 /nfs/dbraw/zinc/00/03/04/993000304.db2.gz UOUYIPSJTZFSMX-SNVBAGLBSA-N 2 0 228.336 1.141 20 0 BDADRP CC(C)(C)OC(=O)CC[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001575160607 993001724 /nfs/dbraw/zinc/00/17/24/993001724.db2.gz ORFWZSKBWUFRFE-QUNCOHTASA-N 2 0 240.347 1.188 20 0 BDADRP CC(C)(C[NH3+])C[N@@H+]1CCOCC2(CCCC2)C1 ZINC001575314880 993003166 /nfs/dbraw/zinc/00/31/66/993003166.db2.gz ARTOONVFNAIZLF-UHFFFAOYSA-N 2 0 240.391 1.864 20 0 BDADRP CC(C)(C[NH+]1CCCC1)NCC12CC(C1)C[NH2+]2 ZINC001575320326 993011016 /nfs/dbraw/zinc/01/10/16/993011016.db2.gz UPMDLIYSTDSPIX-UHFFFAOYSA-N 2 0 237.391 1.202 20 0 BDADRP CC(C)(C[NH3+])CN[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001575314962 993011782 /nfs/dbraw/zinc/01/17/82/993011782.db2.gz FWVAWGZTGSZBHS-NSHDSACASA-N 2 0 227.396 1.434 20 0 BDADRP CC[N@@H+]1CCC[C@@H](CNc2nccnc2C[NH3+])C1 ZINC001262681524 993021849 /nfs/dbraw/zinc/02/18/49/993021849.db2.gz QSICMLKSILBVOV-NSHDSACASA-N 2 0 249.362 1.079 20 0 BDADRP CC(C)C1(O)CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001575496031 993056373 /nfs/dbraw/zinc/05/63/73/993056373.db2.gz JWUMXTHUEHPGMH-TXEJJXNPSA-N 2 0 226.364 1.207 20 0 BDADRP CC(C)C[C@](C)(C[NH3+])C(=O)N[C@@H](C)C[NH+](C)C ZINC001575531690 993065176 /nfs/dbraw/zinc/06/51/76/993065176.db2.gz UEZNKBSTKRLSOB-WCQYABFASA-N 2 0 243.395 1.064 20 0 BDADRP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC001575552317 993068955 /nfs/dbraw/zinc/06/89/55/993068955.db2.gz BQKAGRLIVOXVQV-MJBXVCDLSA-N 2 0 242.407 1.891 20 0 BDADRP CC(C)CC[NH+]1CCC(N[C@@H](C)CC[NH3+])CC1 ZINC001575574974 993075746 /nfs/dbraw/zinc/07/57/46/993075746.db2.gz SQDUFRXOVWGVKW-ZDUSSCGKSA-N 2 0 241.423 1.824 20 0 BDADRP CC(C)C[C@@H](C[NH+](C)C)NC[C@]1(C)CC[NH2+]C1 ZINC001575618297 993085783 /nfs/dbraw/zinc/08/57/83/993085783.db2.gz DGPNVFMHJGSFLE-UONOGXRCSA-N 2 0 241.423 1.552 20 0 BDADRP CC(C)N(C)C[C@H](C)[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001575689576 993095296 /nfs/dbraw/zinc/09/52/96/993095296.db2.gz RLJPEBRGQHUCPZ-GMKTYKIGSA-N 2 0 225.380 1.185 20 0 BDADRP CC(C)OC1CC([NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC001575750719 993104784 /nfs/dbraw/zinc/10/47/84/993104784.db2.gz MWNMIMZIFXYQQS-IWMBGFJWSA-N 2 0 240.391 1.778 20 0 BDADRP C[C@H](CCCCO)[NH2+]C1CC(CC[NH3+])C1 ZINC001575942400 993133269 /nfs/dbraw/zinc/13/32/69/993133269.db2.gz CNHZYOAHKCLPOA-VOMCLLRMSA-N 2 0 214.353 1.255 20 0 BDADRP C[C@H](CCn1cccn1)[NH2+]CCC1(C[NH3+])CC1 ZINC001575973276 993145664 /nfs/dbraw/zinc/14/56/64/993145664.db2.gz YXDXXWKLILPAAS-GFCCVEGCSA-N 2 0 236.363 1.380 20 0 BDADRP CC(C)C[C@@H]([NH3+])CC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001263167953 993145911 /nfs/dbraw/zinc/14/59/11/993145911.db2.gz ZJCXSZJWXXYHBF-TUAOUCFPSA-N 2 0 241.379 1.007 20 0 BDADRP C[C@H](CNC[C@H]([NH3+])CC(F)F)[N@H+](C)C1CC1 ZINC001576032350 993154751 /nfs/dbraw/zinc/15/47/51/993154751.db2.gz CHZQFMOGLKKPPG-RKDXNWHRSA-N 2 0 235.322 1.041 20 0 BDADRP CC(C)OC[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]CC1 ZINC001576041535 993164880 /nfs/dbraw/zinc/16/48/80/993164880.db2.gz PLEQIXVBZIGEFL-OLZOCXBDSA-N 2 0 228.380 1.779 20 0 BDADRP C[C@@H](COCC1CC1)[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001576041158 993165722 /nfs/dbraw/zinc/16/57/22/993165722.db2.gz NPVTVFNHNSOEEE-WNDFQIMJSA-N 2 0 224.348 1.271 20 0 BDADRP C[C@H](Cc1ccccc1F)[NH2+][C@H]1C[C@@H]([NH3+])C1 ZINC001576057816 993167685 /nfs/dbraw/zinc/16/76/85/993167685.db2.gz SLOWPCHLHJLUDH-JLLWLGSASA-N 2 0 222.307 1.836 20 0 BDADRP C[C@H](Cc1ccno1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC001576067759 993169480 /nfs/dbraw/zinc/16/94/80/993169480.db2.gz ZXYDDXVHUVEPEZ-MNOVXSKESA-N 2 0 223.320 1.337 20 0 BDADRP C[C@@H](Cc1ccno1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC001576067761 993169543 /nfs/dbraw/zinc/16/95/43/993169543.db2.gz ZXYDDXVHUVEPEZ-WDEREUQCSA-N 2 0 223.320 1.337 20 0 BDADRP [NH3+]CCCCCCC(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC001263226421 993172890 /nfs/dbraw/zinc/17/28/90/993172890.db2.gz URJSVXCOTYEUAE-NEPJUHHUSA-N 2 0 241.379 1.139 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ncccc2F)CC1 ZINC001576120512 993187101 /nfs/dbraw/zinc/18/71/01/993187101.db2.gz UXGPWSQZQANMKK-SNVBAGLBSA-N 2 0 237.322 1.780 20 0 BDADRP C[C@@H]([NH3+])CN1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001576157605 993198777 /nfs/dbraw/zinc/19/87/77/993198777.db2.gz STDBABVNACXQQY-MCIONIFRSA-N 2 0 237.391 1.141 20 0 BDADRP C[C@H]([NH3+])CN1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001576157606 993199356 /nfs/dbraw/zinc/19/93/56/993199356.db2.gz STDBABVNACXQQY-MELADBBJSA-N 2 0 237.391 1.141 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCC[C@@H](O)C2)CC1 ZINC000378664966 993199767 /nfs/dbraw/zinc/19/97/67/993199767.db2.gz FMVPUGNEEJQLPQ-FRRDWIJNSA-N 2 0 226.364 1.364 20 0 BDADRP [NH3+][C@H]1CCC[N@H+](CCOc2ccccc2)CC1 ZINC000378794085 993205251 /nfs/dbraw/zinc/20/52/51/993205251.db2.gz PJMCZFXTGXTNPA-ZDUSSCGKSA-N 2 0 234.343 1.879 20 0 BDADRP C[C@H]([NH2+]C1CC2(CC([NH3+])C2)C1)[C@@H]1CCCO1 ZINC001576238006 993224900 /nfs/dbraw/zinc/22/49/00/993224900.db2.gz BUBSJWTVLWMINZ-QIJQCGIDSA-N 2 0 224.348 1.413 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@H](CO)CC1CC1 ZINC001576384666 993283095 /nfs/dbraw/zinc/28/30/95/993283095.db2.gz VODWOEQKPXBLOY-UTUOFQBUSA-N 2 0 226.364 1.110 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]C[C@H](CO)CC1CC1 ZINC001576384661 993289942 /nfs/dbraw/zinc/28/99/42/993289942.db2.gz VODWOEQKPXBLOY-IJLUTSLNSA-N 2 0 226.364 1.110 20 0 BDADRP CC1(C)[C@@H](C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)C1(F)F ZINC001576384048 993290246 /nfs/dbraw/zinc/29/02/46/993290246.db2.gz SUMOEZPIDUCDTK-IWSPIJDZSA-N 2 0 232.318 1.993 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC1(C2(O)CCC2)CC1 ZINC001576381628 993292718 /nfs/dbraw/zinc/29/27/18/993292718.db2.gz CDOBWKQJYLJRNC-GHMZBOCLSA-N 2 0 238.375 1.397 20 0 BDADRP CC1(C)C[C@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)CO1 ZINC001576392884 993297388 /nfs/dbraw/zinc/29/73/88/993297388.db2.gz AGSLEDXPAUIKDL-AXFHLTTASA-N 2 0 212.337 1.271 20 0 BDADRP CC1(C)CCCC[C@@H]1[NH2+]C[C@@]1(O)CC[NH2+]C1 ZINC001576435353 993299539 /nfs/dbraw/zinc/29/95/39/993299539.db2.gz YKKIENDHHFKSKN-WCQYABFASA-N 2 0 226.364 1.269 20 0 BDADRP CC1(C)C[N@H+](CC2CCSCC2)C[C@@H]1N ZINC001576457620 993310919 /nfs/dbraw/zinc/31/09/19/993310919.db2.gz KCDBMDXYUJUZMV-NSHDSACASA-N 2 0 228.405 1.799 20 0 BDADRP C[C@@]1(C[N@@H+]2CCC[C@@H](C[NH3+])C2)CCCCO1 ZINC001576502959 993326423 /nfs/dbraw/zinc/32/64/23/993326423.db2.gz JMIVDHGUFHEDGQ-STQMWFEESA-N 2 0 226.364 1.616 20 0 BDADRP C[C@@]1(C[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)CC[NH2+]C1 ZINC001576525901 993329785 /nfs/dbraw/zinc/32/97/85/993329785.db2.gz KUBLRPJMDZZVJT-OUAUKWLOSA-N 2 0 248.317 1.124 20 0 BDADRP C[C@@H]1[C@H](CO)CCC[N@@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576573615 993349776 /nfs/dbraw/zinc/34/97/76/993349776.db2.gz SRJRBWFCJSGPEC-MROQNXINSA-N 2 0 226.364 1.207 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1C[C@@H]3COC[C@H]13)[NH2+]2 ZINC001576586803 993357858 /nfs/dbraw/zinc/35/78/58/993357858.db2.gz AUQQNNUCIGVFSL-UNGBMQOOSA-N 2 0 236.359 1.140 20 0 BDADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCc1cn[nH]c1 ZINC000381006133 993361379 /nfs/dbraw/zinc/36/13/79/993361379.db2.gz QMIZTVSJZLHDBJ-GFCCVEGCSA-N 2 0 222.336 1.156 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](C)[C@@H](O)C2)CC[NH2+]1 ZINC001576598589 993363837 /nfs/dbraw/zinc/36/38/37/993363837.db2.gz MTKBFSSVMPKPAS-LOWDOPEQSA-N 2 0 226.364 1.077 20 0 BDADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cc[nH]c(=O)c1 ZINC001576608284 993366429 /nfs/dbraw/zinc/36/64/29/993366429.db2.gz PPCULUFFIOUDBN-GXSJLCMTSA-N 2 0 221.304 1.099 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)c2nccn21 ZINC001576624643 993372832 /nfs/dbraw/zinc/37/28/32/993372832.db2.gz RYSKMUNIISJLRP-KXNHARMFSA-N 2 0 234.347 1.606 20 0 BDADRP C[C@@H]1C[C@@H](N[C@]23CCC[C@H]2[NH2+]CC3)CC[N@@H+]1C ZINC001576622185 993373491 /nfs/dbraw/zinc/37/34/91/993373491.db2.gz AVFAORAMTVDTIH-RQJABVFESA-N 2 0 237.391 1.343 20 0 BDADRP C[C@@H]1CC[C@H](C)[C@@H]([NH2+][C@H]2COC3(C[NH2+]C3)C2)C1 ZINC001576648100 993380989 /nfs/dbraw/zinc/38/09/89/993380989.db2.gz WPQTXICYSYGVLX-XQHKEYJVSA-N 2 0 238.375 1.532 20 0 BDADRP C[C@@H]1CC[C@H](N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)C[NH2+]1 ZINC001576665878 993386481 /nfs/dbraw/zinc/38/64/81/993386481.db2.gz HUBWMKWISOSCRF-MBJXGIAVSA-N 2 0 237.391 1.057 20 0 BDADRP COC[C@H]([NH2+][C@@H]1CCC[N@H+](C)CC1)C1CC1 ZINC000381312216 993386631 /nfs/dbraw/zinc/38/66/31/993386631.db2.gz LVVLQZIAFGXVNQ-OLZOCXBDSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H]1O ZINC001576729151 993405067 /nfs/dbraw/zinc/40/50/67/993405067.db2.gz DUTDNXJLDQDUFZ-FRRDWIJNSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1CO ZINC001576751692 993414084 /nfs/dbraw/zinc/41/40/84/993414084.db2.gz DHMZUIRUAXCWJA-QNWHQSFQSA-N 2 0 226.364 1.125 20 0 BDADRP C[C@H]1COCC[C@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001576852133 993433095 /nfs/dbraw/zinc/43/30/95/993433095.db2.gz BFGNNOXVZOGBKK-QJPTWQEYSA-N 2 0 212.337 1.001 20 0 BDADRP C[C@@H]1COCC[C@H]1C[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001576853680 993433200 /nfs/dbraw/zinc/43/32/00/993433200.db2.gz JGEWPHBBSGXAJD-LLDQHTGMSA-N 2 0 224.348 1.128 20 0 BDADRP C[C@H]1OCC[C@H]1C[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC001576903538 993451140 /nfs/dbraw/zinc/45/11/40/993451140.db2.gz LNCCFRWYECEAJP-XQHKEYJVSA-N 2 0 224.348 1.286 20 0 BDADRP CC[C@H](C)[C@@H](CN(C)[C@@H](C)C[NH3+])OC ZINC001576960020 993468060 /nfs/dbraw/zinc/46/80/60/993468060.db2.gz AEHDZVBGVMGXJI-GARJFASQSA-N 2 0 202.342 1.327 20 0 BDADRP CC[C@H](C)[C@H](C(=O)OC)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC001576966428 993468749 /nfs/dbraw/zinc/46/87/49/993468749.db2.gz IGWARFMTKWBBHM-WHOHXGKFSA-N 2 0 242.363 1.243 20 0 BDADRP CC[C@](C)(C[NH2+]CCC1(C[NH3+])CC1)OC ZINC001576950035 993468813 /nfs/dbraw/zinc/46/88/13/993468813.db2.gz YWXVVDHSAJJZFD-LLVKDONJSA-N 2 0 214.353 1.520 20 0 BDADRP CC[C@H](C)[C@H](C)[NH2+]C[C@H]([NH3+])CCOC ZINC001576962616 993471420 /nfs/dbraw/zinc/47/14/20/993471420.db2.gz UCGNBDSZSRHERB-GARJFASQSA-N 2 0 202.342 1.374 20 0 BDADRP CCC(CC)(C[NH3+])[NH2+]C[C@H](OC)[C@@H]1CCOC1 ZINC001577059258 993491866 /nfs/dbraw/zinc/49/18/66/993491866.db2.gz QBNVRHFBQWVTKC-NEPJUHHUSA-N 2 0 244.379 1.145 20 0 BDADRP CC[C@H](CNC[C@@H]([NH3+])CC(F)F)[NH+]1CCCC1 ZINC001577088952 993497446 /nfs/dbraw/zinc/49/74/46/993497446.db2.gz HVODGLSQZPOREW-WDEREUQCSA-N 2 0 249.349 1.433 20 0 BDADRP CC[C@H]([NH3+])CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001577115305 993506017 /nfs/dbraw/zinc/50/60/17/993506017.db2.gz MCTNOFHYXDDOHT-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+]C[C@@H](CC(C)C)OC ZINC001577124894 993518057 /nfs/dbraw/zinc/51/80/57/993518057.db2.gz WAOITDBHPLODSB-GHMZBOCLSA-N 2 0 202.342 1.374 20 0 BDADRP CC[NH+](CC)C[C@H](O)C[NH+]1CCCCCCC1 ZINC000383969695 993530557 /nfs/dbraw/zinc/53/05/57/993530557.db2.gz KILOPGABBGVBBH-AWEZNQCLSA-N 2 0 242.407 1.955 20 0 BDADRP CC[C@H]([NH2+]CC(CC)(CC)C[NH3+])[C@@H](C)O ZINC001577175930 993535201 /nfs/dbraw/zinc/53/52/01/993535201.db2.gz MWMZBDADFIEVHT-MNOVXSKESA-N 2 0 216.369 1.501 20 0 BDADRP CC[C@@H](O)C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001577182616 993535643 /nfs/dbraw/zinc/53/56/43/993535643.db2.gz QGWOPYODMRKVCZ-CHWSQXEVSA-N 2 0 226.364 1.223 20 0 BDADRP CC[C@@H]1C[N@H+](Cc2cc[nH]c(=O)c2)CC[C@H]1[NH3+] ZINC001577279781 993574418 /nfs/dbraw/zinc/57/44/18/993574418.db2.gz PYLQONCPZVKXFC-VXGBXAGGSA-N 2 0 235.331 1.346 20 0 BDADRP CC[C@H]1C[N@H+](CC)CCN1C[C@@H]1C[NH2+]C[C@H]1C ZINC001577280095 993575599 /nfs/dbraw/zinc/57/55/99/993575599.db2.gz XLAZKSMKCORCGZ-RDBSUJKOSA-N 2 0 239.407 1.258 20 0 BDADRP CC[C@H]1CN(C)CC[N@@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001577279464 993580590 /nfs/dbraw/zinc/58/05/90/993580590.db2.gz HTJZLZASBATZRR-XQQFMLRXSA-N 2 0 225.380 1.140 20 0 BDADRP C1CC[NH+](C2CCN([C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000384477086 993585684 /nfs/dbraw/zinc/58/56/84/993585684.db2.gz OSGVVMPTWZWCRK-CQSZACIVSA-N 2 0 237.391 1.299 20 0 BDADRP CCCC[C@@H](C(=O)OC)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC001577387951 993636918 /nfs/dbraw/zinc/63/69/18/993636918.db2.gz CNOHTNBKUHXDFD-RYUDHWBXSA-N 2 0 242.363 1.389 20 0 BDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H](CC)[NH2+]C ZINC001577445415 993665045 /nfs/dbraw/zinc/66/50/45/993665045.db2.gz RRIITTALJGQOLB-NEPJUHHUSA-N 2 0 243.395 1.221 20 0 BDADRP CCC[N@H+](CC(C)C)C[C@@](C)(O)C[NH2+]C ZINC001577504505 993675114 /nfs/dbraw/zinc/67/51/14/993675114.db2.gz SXZLDFNPYZKPGX-LBPRGKRZSA-N 2 0 216.369 1.325 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)CCC[NH2+]C ZINC001577510348 993676406 /nfs/dbraw/zinc/67/64/06/993676406.db2.gz LBBIHBQRCXTMPF-LBPRGKRZSA-N 2 0 243.395 1.223 20 0 BDADRP CC[N@H+](C)[C@H]1CCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC001577655152 993704199 /nfs/dbraw/zinc/70/41/99/993704199.db2.gz SXMYMLBZYKJMJG-QWHCGFSZSA-N 2 0 225.380 1.012 20 0 BDADRP COCCC[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000389303497 993742279 /nfs/dbraw/zinc/74/22/79/993742279.db2.gz MWMBSYLONPAIIP-NSHDSACASA-N 2 0 200.326 1.084 20 0 BDADRP CC[N@@H+]1CC[C@H](n2cncc2C2CC[NH2+]CC2)C1 ZINC000389667415 993758695 /nfs/dbraw/zinc/75/86/95/993758695.db2.gz UHQJQFIIPRBSCD-ZDUSSCGKSA-N 3 0 248.374 1.617 20 0 BDADRP Cn1cccc1C[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC000390568360 993796076 /nfs/dbraw/zinc/79/60/76/993796076.db2.gz UJUUFAQRYZYJII-LBPRGKRZSA-N 2 0 221.348 1.599 20 0 BDADRP OC[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)CC1 ZINC000393520187 993959964 /nfs/dbraw/zinc/95/99/64/993959964.db2.gz NXMPYXCLVFBYBC-CYBMUJFWSA-N 2 0 226.364 1.080 20 0 BDADRP C[C@H](C[NH3+])CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000394162644 994046159 /nfs/dbraw/zinc/04/61/59/994046159.db2.gz MANUGRIDDQCYCI-FKJOKYEKSA-N 3 0 225.380 1.138 20 0 BDADRP C[C@@H]1C[N@H+](CC2C[C@H](C)O[C@@H](C)C2)C[C@H]1[NH3+] ZINC000724414091 994065256 /nfs/dbraw/zinc/06/52/56/994065256.db2.gz JXABGDJTPCDKSJ-MPPDQPJWSA-N 2 0 226.364 1.469 20 0 BDADRP CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)C(C)C)[NH+](C)C ZINC001282462267 994237133 /nfs/dbraw/zinc/23/71/33/994237133.db2.gz TWHRGGUKBUPQQD-RYUDHWBXSA-N 2 0 243.395 1.172 20 0 BDADRP CC[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001335460938 994778434 /nfs/dbraw/zinc/77/84/34/994778434.db2.gz SIRFUMBTYUTCJC-ZIAGYGMSSA-N 2 0 240.391 1.469 20 0 BDADRP CC[C@@H](C(=O)NCC[C@H](C)[NH2+]C(C)C)[NH+](C)C ZINC001492113857 995022496 /nfs/dbraw/zinc/02/24/96/995022496.db2.gz XSAASABKMQFYBN-RYUDHWBXSA-N 2 0 243.395 1.219 20 0 BDADRP CC1(C)C[N@H+](C[C@@H]2CC[NH2+]C2)CCCO1 ZINC000389863041 398143211 /nfs/dbraw/zinc/14/32/11/398143211.db2.gz FMSRPPRUDUTAGS-LLVKDONJSA-N 2 0 212.337 1.097 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062980225 349502870 /nfs/dbraw/zinc/50/28/70/349502870.db2.gz NJSSGJDKAKSUAZ-KGLIPLIRSA-N 2 0 237.391 1.156 20 0 BDADRP CC[C@@H]([NH2+]C[C@@H](C)SC)[C@@H]1CCC[NH2+]1 ZINC000422941853 398159290 /nfs/dbraw/zinc/15/92/90/398159290.db2.gz VSMPZXDJECHMBE-MXWKQRLJSA-N 2 0 216.394 1.858 20 0 BDADRP CC[NH+](CC)CCC[N@H+](C)[C@H](C)CCO ZINC000649870471 398158149 /nfs/dbraw/zinc/15/81/49/398158149.db2.gz AGYVTPOOUDXAEH-GFCCVEGCSA-N 2 0 216.369 1.421 20 0 BDADRP COC1(CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000379838835 398173738 /nfs/dbraw/zinc/17/37/38/398173738.db2.gz FXIMTBPKXJMTFF-TXEJJXNPSA-N 2 0 224.348 1.097 20 0 BDADRP CC[C@](C)(C[NH2+][C@H](C)CC[NH+](C)C)OC ZINC000379987136 398179631 /nfs/dbraw/zinc/17/96/31/398179631.db2.gz VQRJWHUCUOGPMX-VXGBXAGGSA-N 2 0 216.369 1.731 20 0 BDADRP Cc1ccc(C[NH2+]C[C@H]2CNCCO2)cc1F ZINC000415095212 398160328 /nfs/dbraw/zinc/16/03/28/398160328.db2.gz LWGGPTJVNXRTJD-GFCCVEGCSA-N 2 0 238.306 1.212 20 0 BDADRP Cc1cccc(C[NH2+]C[C@@H]2CNCCO2)c1C ZINC000415095545 398160819 /nfs/dbraw/zinc/16/08/19/398160819.db2.gz MVXJNLFJABGBOJ-AWEZNQCLSA-N 2 0 234.343 1.381 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCCOCC1)[C@H]1CCC[NH2+]1 ZINC000423024483 398163052 /nfs/dbraw/zinc/16/30/52/398163052.db2.gz JODNVDWHUJXBJY-IJLUTSLNSA-N 2 0 212.337 1.286 20 0 BDADRP COCC1(CC[NH2+][C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000576227801 365529970 /nfs/dbraw/zinc/52/99/70/365529970.db2.gz IZNDXUDENHYHTH-GHMZBOCLSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@@H]([NH2+]C1CCC(CO)CC1)[C@@H]1CCCC[NH2+]1 ZINC000386007376 398194384 /nfs/dbraw/zinc/19/43/84/398194384.db2.gz LXYUMJQNINQUKO-RYSNWHEDSA-N 2 0 240.391 1.658 20 0 BDADRP CCC[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)OC ZINC000385994611 398194485 /nfs/dbraw/zinc/19/44/85/398194485.db2.gz FLRNHPDQNYKINU-JSGCOSHPSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])CC(F)F ZINC000647800625 398206982 /nfs/dbraw/zinc/20/69/82/398206982.db2.gz HZUINWMYZMWCCR-IVZWLZJFSA-N 2 0 220.307 1.995 20 0 BDADRP Cc1cc(C)n(CC[NH2+][C@@](C)(C[NH3+])C2CC2)n1 ZINC000649410449 398209097 /nfs/dbraw/zinc/20/90/97/398209097.db2.gz BLZWDYBBZPICFY-ZDUSSCGKSA-N 2 0 236.363 1.217 20 0 BDADRP CCc1cnc(C[NH2+][C@H](C)CCC[NH3+])s1 ZINC000336717569 398213610 /nfs/dbraw/zinc/21/36/10/398213610.db2.gz XZVGKDVVXOTCPL-SECBINFHSA-N 2 0 227.377 1.923 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000069723947 398214115 /nfs/dbraw/zinc/21/41/15/398214115.db2.gz BKWLRIQURNHCRH-STQMWFEESA-N 2 0 226.364 1.474 20 0 BDADRP C[C@@H]([NH3+])C[NH2+][C@H](C)CCc1ccccc1 ZINC000199980993 398217186 /nfs/dbraw/zinc/21/71/86/398217186.db2.gz IJWHTFRKNCJMNR-VXGBXAGGSA-N 2 0 206.333 1.945 20 0 BDADRP CC[N@@H+]1CC[C@H](N(C)C[C@H]2CC[NH2+]C2)C[C@@H]1C ZINC000649413764 398212020 /nfs/dbraw/zinc/21/20/20/398212020.db2.gz CIFQNMYLGDLRMB-IHRRRGAJSA-N 2 0 239.407 1.401 20 0 BDADRP CCC[C@H](C[NH2+][C@H](C)CC[NH+](C)C)OC ZINC000386556227 398213210 /nfs/dbraw/zinc/21/32/10/398213210.db2.gz IBCVDGAEWLZHPV-VXGBXAGGSA-N 2 0 216.369 1.731 20 0 BDADRP Cc1cc(NC[C@@H]2CCC[NH2+]C2)cc[nH+]1 ZINC000107198575 178166585 /nfs/dbraw/zinc/16/65/85/178166585.db2.gz FQPQQAXCJVPZKB-LLVKDONJSA-N 2 0 205.305 1.802 20 0 BDADRP Cc1cc(C)n(CC[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)n1 ZINC000386809863 398220247 /nfs/dbraw/zinc/22/02/47/398220247.db2.gz RPIGLNPZVMFZJJ-GWCFXTLKSA-N 2 0 236.363 1.169 20 0 BDADRP CCC(CC)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000336687626 168352661 /nfs/dbraw/zinc/35/26/61/168352661.db2.gz FPKAYKOOYAIRKJ-AWEZNQCLSA-N 2 0 239.407 1.402 20 0 BDADRP COCCCCC[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430557200 398228325 /nfs/dbraw/zinc/22/83/25/398228325.db2.gz SBOGVXAWMLFLSY-OLZOCXBDSA-N 2 0 228.380 1.862 20 0 BDADRP Cc1cc([C@H](C)[NH2+]CCCC[NH+](C)C)no1 ZINC000309396314 178247387 /nfs/dbraw/zinc/24/73/87/178247387.db2.gz GQFIOQSLLVYJJT-NSHDSACASA-N 2 0 225.336 1.975 20 0 BDADRP CC(C)[NH+]1CCN([C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000229542215 538939686 /nfs/dbraw/zinc/93/96/86/538939686.db2.gz LUWLMFFPWHXYGN-STQMWFEESA-N 2 0 225.380 1.153 20 0 BDADRP Cc1ccc2ncc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])n2c1 ZINC000576518322 365616548 /nfs/dbraw/zinc/61/65/48/365616548.db2.gz RROOYLHLVFBFRO-VXGBXAGGSA-N 2 0 246.358 1.858 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCCc3cn[nH]c32)C1 ZINC000576478933 365608039 /nfs/dbraw/zinc/60/80/39/365608039.db2.gz HRRNOARGODNPGL-GRYCIOLGSA-N 2 0 234.347 1.647 20 0 BDADRP c1ccc2c(c1)CC[C@H]([NH2+]C[C@H]1CCC[NH2+]1)C2 ZINC000232465965 136229220 /nfs/dbraw/zinc/22/92/20/136229220.db2.gz TZURJHXXWKIRGV-LSDHHAIUSA-N 2 0 230.355 1.886 20 0 BDADRP C[C@@H]([NH2+]C1CCC(CO)CC1)[C@H]1CCC[NH2+]1 ZINC000400696172 398267125 /nfs/dbraw/zinc/26/71/25/398267125.db2.gz JCMPIHOPPVFZLQ-IKWCTNDRSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@@H]([NH2+]C1CCC(CO)CC1)[C@@H]1CCC[NH2+]1 ZINC000400696186 398267387 /nfs/dbraw/zinc/26/73/87/398267387.db2.gz JCMPIHOPPVFZLQ-XVSSEFHLSA-N 2 0 226.364 1.268 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(OC)CCC2)[C@H](C)C1 ZINC000162221872 349593775 /nfs/dbraw/zinc/59/37/75/349593775.db2.gz FXFPQRNEHWDHOD-CHWSQXEVSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@H](CO)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000037221572 538961978 /nfs/dbraw/zinc/96/19/78/538961978.db2.gz NTVUKZDCWQLWGJ-CMPLNLGQSA-N 2 0 214.353 1.077 20 0 BDADRP CC[NH+](CC)CCC[N@H+](CC)CCO ZINC000167033750 361860656 /nfs/dbraw/zinc/86/06/56/361860656.db2.gz NUNCLXBKCASORQ-UHFFFAOYSA-N 2 0 202.342 1.033 20 0 BDADRP CCSCC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000309618292 342753317 /nfs/dbraw/zinc/75/33/17/342753317.db2.gz FYXQBSMZAVUNSD-GFCCVEGCSA-N 2 0 228.405 1.815 20 0 BDADRP Fc1cccc(CCC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000348749024 136237897 /nfs/dbraw/zinc/23/78/97/136237897.db2.gz MKUWIDSEWWCMFE-KBPBESRZSA-N 2 0 248.345 1.910 20 0 BDADRP Cc1cc(CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)on1 ZINC000581835025 342811324 /nfs/dbraw/zinc/81/13/24/342811324.db2.gz KCSRZMZPSISTMV-QWRGUYRKSA-N 2 0 223.320 1.385 20 0 BDADRP CC(C)[NH+]1CCC(N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000040671738 538972427 /nfs/dbraw/zinc/97/24/27/538972427.db2.gz AEAJNPVYSVIWHT-CQSZACIVSA-N 2 0 239.407 1.543 20 0 BDADRP Cc1c[nH+]ccc1N1CCC([NH+](C)C)CC1 ZINC000191978668 538993979 /nfs/dbraw/zinc/99/39/79/538993979.db2.gz NVNJVNBXTIMCCK-UHFFFAOYSA-N 2 0 219.332 1.920 20 0 BDADRP CC[C@@H]([NH2+]C[C@@H]1CCCN1C)[C@H]1CCOC1 ZINC000154613653 398293456 /nfs/dbraw/zinc/29/34/56/398293456.db2.gz ABGGDPUOIYXJOJ-RWMBFGLXSA-N 2 0 226.364 1.485 20 0 BDADRP Cc1c[nH+]ccc1N1CC[NH+](C(C)C)CC1 ZINC000191978422 538993745 /nfs/dbraw/zinc/99/37/45/538993745.db2.gz ZYUCCTIEMQHCEZ-UHFFFAOYSA-N 2 0 219.332 1.920 20 0 BDADRP C[C@@H]([NH2+]CC1=CCCOC1)C1CC[NH+](C)CC1 ZINC000379738845 538979713 /nfs/dbraw/zinc/97/97/13/538979713.db2.gz FEODLKGSKIYQFD-GFCCVEGCSA-N 2 0 238.375 1.653 20 0 BDADRP CO[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)C(C)C ZINC000381779056 539006995 /nfs/dbraw/zinc/00/69/95/539006995.db2.gz KVPRNAUKRZSZFX-TZMCWYRMSA-N 2 0 242.407 1.977 20 0 BDADRP C([NH2+]C1CCCCCC1)[C@H]1C[NH2+]CCCO1 ZINC000335628625 136241253 /nfs/dbraw/zinc/24/12/53/136241253.db2.gz OBDCBBYJFSQKOI-CYBMUJFWSA-N 2 0 226.364 1.677 20 0 BDADRP COCC1([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000381759660 539007181 /nfs/dbraw/zinc/00/71/81/539007181.db2.gz TULMXPDUFWDLFW-VXGBXAGGSA-N 2 0 224.348 1.382 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000381300225 538997500 /nfs/dbraw/zinc/99/75/00/538997500.db2.gz DDEMUHIWJBCNII-FRRDWIJNSA-N 2 0 228.380 1.874 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000381300227 538997748 /nfs/dbraw/zinc/99/77/48/538997748.db2.gz DDEMUHIWJBCNII-JHJVBQTASA-N 2 0 228.380 1.874 20 0 BDADRP C[C@H](C[NH2+]C1CSC1)C[NH+]1CCCCC1 ZINC000389955099 539018693 /nfs/dbraw/zinc/01/86/93/539018693.db2.gz UBECKVZFWIYGEC-LLVKDONJSA-N 2 0 228.405 1.813 20 0 BDADRP CC[N@@H+]1CC[C@H](N[C@@H]2C[C@H](C)[NH+](C)C[C@@H]2C)C1 ZINC000389206764 398306435 /nfs/dbraw/zinc/30/64/35/398306435.db2.gz ZWWHCZLTSGVBCP-XDQVBPFNSA-N 2 0 239.407 1.399 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248169668 323016256 /nfs/dbraw/zinc/01/62/56/323016256.db2.gz UNGKBHREGIHFAV-ZDEQEGDKSA-N 2 0 228.380 1.466 20 0 BDADRP Cc1ccncc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000167235273 136244664 /nfs/dbraw/zinc/24/46/64/136244664.db2.gz YJKIAJQFVAAZSM-STQMWFEESA-N 2 0 219.332 1.750 20 0 BDADRP CSCC1CCC([NH2+]CCC[NH3+])CC1 ZINC000385807607 342856248 /nfs/dbraw/zinc/85/62/48/342856248.db2.gz HSEFEYHOGFGGLQ-UHFFFAOYSA-N 2 0 216.394 1.847 20 0 BDADRP CCO[C@H](C[N@@H+]1CC[C@H](C[NH+](C)C)C1)C1CC1 ZINC000625166754 342899043 /nfs/dbraw/zinc/89/90/43/342899043.db2.gz LHXUCVRXDONLTH-TZMCWYRMSA-N 2 0 240.391 1.685 20 0 BDADRP Cc1n[nH]c(C)c1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000336478590 398319651 /nfs/dbraw/zinc/31/96/51/398319651.db2.gz UAHBIARNEINHPW-BXKDBHETSA-N 2 0 236.363 1.586 20 0 BDADRP [NH3+]C1(c2noc(CC[NH2+]C3CC3)n2)CCCC1 ZINC000584002384 342899669 /nfs/dbraw/zinc/89/96/69/342899669.db2.gz XPSZCGWUHZHSEI-UHFFFAOYSA-N 2 0 236.319 1.092 20 0 BDADRP C[NH+](C)CCC[NH2+]CC1Cc2ccccc2C1 ZINC000234259000 342919391 /nfs/dbraw/zinc/91/93/91/342919391.db2.gz JHPLTLPHMOUAQE-UHFFFAOYSA-N 2 0 232.371 1.943 20 0 BDADRP CC[C@H]([NH3+])C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000165006303 529441632 /nfs/dbraw/zinc/44/16/32/529441632.db2.gz ZRTDNMVXVYCKCF-LBPRGKRZSA-N 2 0 241.379 1.104 20 0 BDADRP Cc1cnn(C)c1CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000352793356 398336753 /nfs/dbraw/zinc/33/67/53/398336753.db2.gz ORBLSAZCFSQZOG-LBPRGKRZSA-N 2 0 248.374 1.302 20 0 BDADRP COCCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917808 398335241 /nfs/dbraw/zinc/33/52/41/398335241.db2.gz XPNLBAOBDMKBDB-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000223289108 259333641 /nfs/dbraw/zinc/33/36/41/259333641.db2.gz MRINAFGAROUDOV-SRVKXCTJSA-N 2 0 214.353 1.220 20 0 BDADRP C[N@@H+](C/C=C\c1ccccc1)CCC[NH3+] ZINC000308673762 346896745 /nfs/dbraw/zinc/89/67/45/346896745.db2.gz DTCJXRBRQYZPIJ-UITAMQMPSA-N 2 0 204.317 1.980 20 0 BDADRP CC[NH2+]CC1CC[NH+](Cc2ccn(C)n2)CC1 ZINC000211677598 342998115 /nfs/dbraw/zinc/99/81/15/342998115.db2.gz OSRDWPJGIXLGJM-UHFFFAOYSA-N 2 0 236.363 1.242 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1C(C)(C)O ZINC000162589633 349760167 /nfs/dbraw/zinc/76/01/67/349760167.db2.gz LZWPCFPQKRSIJL-QWHCGFSZSA-N 2 0 240.391 1.706 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H](CO)C2CCCCC2)C1 ZINC000386308353 343016705 /nfs/dbraw/zinc/01/67/05/343016705.db2.gz WLTSFYKIYVRRHS-MCIONIFRSA-N 2 0 240.391 1.787 20 0 BDADRP C[N@H+](CCCN1CC[NH+](C)CC1)CCC1CC1 ZINC000162616002 349769463 /nfs/dbraw/zinc/76/94/63/349769463.db2.gz ZBAXYWYAIOBHOE-UHFFFAOYSA-N 2 0 239.407 1.356 20 0 BDADRP CSC[C@H](O)C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000576863783 365707532 /nfs/dbraw/zinc/70/75/32/365707532.db2.gz MJXTZSHDIRWLGR-NWDGAFQWSA-N 2 0 246.420 1.032 20 0 BDADRP [NH3+][C@H]1CC=C(c2nc(C3([NH3+])CCCC3)no2)C1 ZINC000634555395 362046795 /nfs/dbraw/zinc/04/67/95/362046795.db2.gz JQFNXHDNWJUXPJ-VIFPVBQESA-N 2 0 234.303 1.302 20 0 BDADRP FC1(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000308876293 346929269 /nfs/dbraw/zinc/92/92/69/346929269.db2.gz NLDSNOOUXARUPW-SNVBAGLBSA-N 2 0 212.312 1.562 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)C2CC[NH2+]CC2)c1 ZINC000237203997 343131108 /nfs/dbraw/zinc/13/11/08/343131108.db2.gz DROLIQQWAWOYAE-UHFFFAOYSA-N 2 0 247.342 1.344 20 0 BDADRP C(C[C@H]1CCC[NH2+]1)[NH2+][C@@H]1CCC12CCOCC2 ZINC000562962310 323036296 /nfs/dbraw/zinc/03/62/96/323036296.db2.gz ROIIROPNQOBOGL-CHWSQXEVSA-N 2 0 238.375 1.677 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+]Cc2cncs2)cc1 ZINC000131574439 343183942 /nfs/dbraw/zinc/18/39/42/343183942.db2.gz YVUNKJQCYUKNDH-UHFFFAOYSA-N 2 0 233.340 1.892 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)OCO3)C1 ZINC000093210138 343151301 /nfs/dbraw/zinc/15/13/01/343151301.db2.gz FHDAUBWPGKKCAA-VXGBXAGGSA-N 2 0 248.326 1.775 20 0 BDADRP C[N@H+](CCCn1ccnc1)CC1CC[NH2+]CC1 ZINC000094024377 343152532 /nfs/dbraw/zinc/15/25/32/343152532.db2.gz LEPMDCHFZDZIPE-UHFFFAOYSA-N 2 0 236.363 1.205 20 0 BDADRP C[NH+](C)Cc1ccc(NC(=O)C2([NH3+])CCC2)cc1 ZINC000147745637 343198316 /nfs/dbraw/zinc/19/83/16/343198316.db2.gz SEHAUABETMUHSI-UHFFFAOYSA-N 2 0 247.342 1.568 20 0 BDADRP COC[C@H](C)C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000132171597 343187608 /nfs/dbraw/zinc/18/76/08/343187608.db2.gz QQLUSTKQAZTCJR-GFCCVEGCSA-N 2 0 240.391 1.733 20 0 BDADRP CCC(O)(CC)C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000084222841 136290723 /nfs/dbraw/zinc/29/07/23/136290723.db2.gz GLDKJIBSYCWSSP-WDEREUQCSA-N 2 0 214.353 1.255 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)C[C@H]1CCC[C@H]1[NH3+] ZINC000340083173 136285939 /nfs/dbraw/zinc/28/59/39/136285939.db2.gz QPBHMYJSIHFQSP-IJLUTSLNSA-N 2 0 241.379 1.138 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)C[C@@H]1CCC[C@@H]1[NH3+] ZINC000340083175 136285940 /nfs/dbraw/zinc/28/59/40/136285940.db2.gz QPBHMYJSIHFQSP-TUAOUCFPSA-N 2 0 241.379 1.138 20 0 BDADRP Cc1nccn1CCC[N@@H+](C)C1CC[NH2+]CC1 ZINC000348754493 136296869 /nfs/dbraw/zinc/29/68/69/136296869.db2.gz AAJCWFYSHZLKRR-UHFFFAOYSA-N 2 0 236.363 1.265 20 0 BDADRP C[NH+](C)Cc1cccc(NC(=O)CCC[NH3+])c1 ZINC000037019522 343330966 /nfs/dbraw/zinc/33/09/66/343330966.db2.gz NSPTVYOGOYEXIJ-UHFFFAOYSA-N 2 0 235.331 1.426 20 0 BDADRP C[NH2+]C[C@@](C)(O)CN(C)Cc1ccc(F)cc1 ZINC000584058036 343309166 /nfs/dbraw/zinc/30/91/66/343309166.db2.gz GDWBZNLIUIFYHB-CYBMUJFWSA-N 2 0 240.322 1.228 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1NCC1([NH3+])CCCCC1 ZINC000335625216 136299479 /nfs/dbraw/zinc/29/94/79/136299479.db2.gz OPTPETFISHKSGO-OLZOCXBDSA-N 2 0 239.407 1.898 20 0 BDADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)C1CC[NH2+]CC1 ZINC000335653535 136305428 /nfs/dbraw/zinc/30/54/28/136305428.db2.gz KWOFRYHPKOFZPR-UHFFFAOYSA-N 2 0 245.326 1.228 20 0 BDADRP COCC[N@H+](CCC[NH3+])CC1CCCC1 ZINC000070843797 343338681 /nfs/dbraw/zinc/33/86/81/343338681.db2.gz FNBNFSZCDLKENY-UHFFFAOYSA-N 2 0 214.353 1.474 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc(F)c2)C1 ZINC000166226421 136314080 /nfs/dbraw/zinc/31/40/80/136314080.db2.gz UNJXXNKNLHQCIW-JQWIXIFHSA-N 2 0 222.307 1.995 20 0 BDADRP Cc1ccc(NC(=O)CCOC2C[NH2+]C2)c(C)n1 ZINC000349030129 136319445 /nfs/dbraw/zinc/31/94/45/136319445.db2.gz RQSYQXHITNKFGU-UHFFFAOYSA-N 2 0 249.314 1.015 20 0 BDADRP CC(C)[C@H](C(=O)NCCCC[NH+](C)C)[NH+](C)C ZINC000349140910 136324119 /nfs/dbraw/zinc/32/41/19/136324119.db2.gz BOIFQSLWJSGLOD-GFCCVEGCSA-N 2 0 243.395 1.031 20 0 BDADRP C[NH+](C)Cc1ccccc1CNC(=O)C(C)(C)[NH3+] ZINC000040925545 343411368 /nfs/dbraw/zinc/41/13/68/343411368.db2.gz KTBARPXWXDWFDO-UHFFFAOYSA-N 2 0 249.358 1.102 20 0 BDADRP Cc1cnc(CN(C)CC[N@H+](C)C2CC2)n1C ZINC000349408851 136344663 /nfs/dbraw/zinc/34/46/63/136344663.db2.gz QOIGBANGDGZPGP-UHFFFAOYSA-N 2 0 236.363 1.255 20 0 BDADRP CCOCCC[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000083552508 343490519 /nfs/dbraw/zinc/49/05/19/343490519.db2.gz NGNUCOGSNHQSID-LBPRGKRZSA-N 2 0 214.353 1.616 20 0 BDADRP CCC[C@@H](C)[N@H+](C)C[C@H](O)CN(C)CCOC ZINC000310563679 343537872 /nfs/dbraw/zinc/53/78/72/343537872.db2.gz WPLHPBDRFVTCAR-CHWSQXEVSA-N 2 0 246.395 1.046 20 0 BDADRP COCC1(C[NH2+]CC2(F)CC2)CC[NH2+]CC1 ZINC000556953000 343627932 /nfs/dbraw/zinc/62/79/32/343627932.db2.gz MLXBFVGXSQXJFT-UHFFFAOYSA-N 2 0 230.327 1.094 20 0 BDADRP C[C@@H](NCc1ccccc1CO)[C@@H]1CCC[NH2+]1 ZINC000564824561 343628079 /nfs/dbraw/zinc/62/80/79/343628079.db2.gz JOXFCGSHYDJUNE-RISCZKNCSA-N 2 0 234.343 1.409 20 0 BDADRP [NH3+]CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000044512261 343781241 /nfs/dbraw/zinc/78/12/41/343781241.db2.gz WRHPTKSQSPMZJZ-UHFFFAOYSA-N 2 0 230.355 1.825 20 0 BDADRP C[NH+]1CCC(O)(C[NH2+]CC2(C)CCC2)CC1 ZINC000336724635 537831113 /nfs/dbraw/zinc/83/11/13/537831113.db2.gz BEWTXBWSHKHBRS-UHFFFAOYSA-N 2 0 226.364 1.223 20 0 BDADRP CC(C)[C@@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000020200403 537832062 /nfs/dbraw/zinc/83/20/62/537832062.db2.gz CCSMKLOVXULLGX-CYBMUJFWSA-N 2 0 241.423 1.647 20 0 BDADRP CN1CCC([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000634732401 344108232 /nfs/dbraw/zinc/10/82/32/344108232.db2.gz FTHSVJMCBCBFOU-ZDUSSCGKSA-N 2 0 239.407 1.448 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634734009 344114530 /nfs/dbraw/zinc/11/45/30/344114530.db2.gz UPPWQAYHCBUJBB-AGIUHOORSA-N 2 0 225.380 1.092 20 0 BDADRP CCC[N@@H+]1CC[C@H](CNc2cc(CO)ccn2)C1 ZINC000641303685 362357566 /nfs/dbraw/zinc/35/75/66/362357566.db2.gz FXPNUUKETFYXSL-CYBMUJFWSA-N 2 0 249.358 1.718 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](C)[C@H](CO)C2)CC[NH2+]1 ZINC000622004397 344181715 /nfs/dbraw/zinc/18/17/15/344181715.db2.gz OBCVKMZFSRDONT-SYQHCUMBSA-N 2 0 240.391 1.325 20 0 BDADRP CC[C@H]([NH3+])C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000580324380 347040130 /nfs/dbraw/zinc/04/01/30/347040130.db2.gz QTJOEPKAMSBBDK-KCJUWKMLSA-N 2 0 221.304 1.382 20 0 BDADRP CO[C@@H](C)[C@@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000132251100 344291494 /nfs/dbraw/zinc/29/14/94/344291494.db2.gz WGGMDKMOIRFTHT-NEPJUHHUSA-N 2 0 214.353 1.485 20 0 BDADRP CO[C@@H](C)[C@H](C)[NH2+]CCCC[NH+](C)C ZINC000132996808 344310452 /nfs/dbraw/zinc/31/04/52/344310452.db2.gz BIMLRWFSXRFMGL-QWRGUYRKSA-N 2 0 202.342 1.341 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCc2ccc(O)cc2)C1 ZINC000093215377 344312471 /nfs/dbraw/zinc/31/24/71/344312471.db2.gz ZRWOGAVGFSURHG-QWHCGFSZSA-N 2 0 234.343 1.794 20 0 BDADRP C(C[N@@H+]1C[C@@H]2COC[C@@H]2C1)C[NH+]1CCCCC1 ZINC000634779985 344316311 /nfs/dbraw/zinc/31/63/11/344316311.db2.gz OIRVUKNAJSLDRI-OKILXGFUSA-N 2 0 238.375 1.441 20 0 BDADRP CCOCCC[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000133310343 344317409 /nfs/dbraw/zinc/31/74/09/344317409.db2.gz GGXCYUGRCOAMET-GFCCVEGCSA-N 2 0 216.369 1.718 20 0 BDADRP CCC1(C[NH2+][C@@H](C)CCC[NH3+])CCOCC1 ZINC000309391942 168481419 /nfs/dbraw/zinc/48/14/19/168481419.db2.gz TWLHNPMORZDPHX-LBPRGKRZSA-N 2 0 228.380 1.910 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000236845837 344407571 /nfs/dbraw/zinc/40/75/71/344407571.db2.gz KIAKXBUTGAOGOX-WCQYABFASA-N 2 0 241.379 1.152 20 0 BDADRP C[NH+](C)CCC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000056522267 344467757 /nfs/dbraw/zinc/46/77/57/344467757.db2.gz ASEGILJTYSRPRG-CQSZACIVSA-N 2 0 240.391 1.687 20 0 BDADRP CC[C@@H]1CCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000037482599 344508661 /nfs/dbraw/zinc/50/86/61/344508661.db2.gz YFYOABPRNJBNPW-CYBMUJFWSA-N 2 0 225.380 1.014 20 0 BDADRP Cc1nc(CN2CCC[C@H](C[NH3+])C2)cs1 ZINC000044527700 344541197 /nfs/dbraw/zinc/54/11/97/344541197.db2.gz QRPNXOPPQBHRDR-SNVBAGLBSA-N 2 0 225.361 1.622 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000037621326 344553198 /nfs/dbraw/zinc/55/31/98/344553198.db2.gz OJJHAFAFIFAIBO-YPMHNXCESA-N 2 0 241.379 1.104 20 0 BDADRP C[NH2+]C[C@@H]1CCCN(Cc2ccc(OC)nc2)C1 ZINC000158314557 344593931 /nfs/dbraw/zinc/59/39/31/344593931.db2.gz SORXHNDHCCMGND-LBPRGKRZSA-N 2 0 249.358 1.522 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000388723281 347057089 /nfs/dbraw/zinc/05/70/89/347057089.db2.gz AVMXVTPAIPPHJI-FRRDWIJNSA-N 2 0 228.380 1.909 20 0 BDADRP CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000251919919 344682173 /nfs/dbraw/zinc/68/21/73/344682173.db2.gz YLBKTLOYNUDGFU-BFHYXJOUSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])CCO1 ZINC000388726921 347068031 /nfs/dbraw/zinc/06/80/31/347068031.db2.gz OHTGEHGETCIJNB-SYQHCUMBSA-N 2 0 240.391 1.909 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH+]1C)C[C@H]1C[C@@H](O)C1 ZINC000626046123 344695665 /nfs/dbraw/zinc/69/56/65/344695665.db2.gz QPFPKPVUEIMWIU-RWMBFGLXSA-N 2 0 226.364 1.173 20 0 BDADRP C[NH+]1CCC(CC[NH2+]CC[C@H]2CCOC2)CC1 ZINC000400514072 530049171 /nfs/dbraw/zinc/04/91/71/530049171.db2.gz AQOSEUVMIQGJKC-AWEZNQCLSA-N 2 0 240.391 1.735 20 0 BDADRP C[NH+]1CCC(O)(C[NH2+]Cc2ccsc2)CC1 ZINC000077450286 344824705 /nfs/dbraw/zinc/82/47/05/344824705.db2.gz KDGLIDYGWYAPJJ-UHFFFAOYSA-N 2 0 240.372 1.294 20 0 BDADRP COc1ccc([C@@H](C[NH3+])Cn2ccnc2C)cc1 ZINC000583439067 344962707 /nfs/dbraw/zinc/96/27/07/344962707.db2.gz VLOLMLOLUPMCDE-ZDUSSCGKSA-N 2 0 245.326 1.943 20 0 BDADRP CCCC[C@H](C)[NH2+]CCN1CC[NH2+]CC1 ZINC000050889980 345024958 /nfs/dbraw/zinc/02/49/58/345024958.db2.gz GKYQSSJLGINDGY-LBPRGKRZSA-N 2 0 213.369 1.060 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)C1CC1 ZINC000155110428 345070432 /nfs/dbraw/zinc/07/04/32/345070432.db2.gz BTJKNZRYMSFFTJ-JSGCOSHPSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1ccccc1O ZINC000154954562 345060895 /nfs/dbraw/zinc/06/08/95/345060895.db2.gz KLMXMCYBADNWOO-OCCSQVGLSA-N 2 0 248.370 1.865 20 0 BDADRP C[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[NH+](C)C ZINC000156052580 345120959 /nfs/dbraw/zinc/12/09/59/345120959.db2.gz WCDHLTYOIBGRKE-JHJVBQTASA-N 2 0 225.380 1.153 20 0 BDADRP CC(C)[C@@H]1C[N@H+](C)CCN1CC12CC(C1)C[NH2+]2 ZINC000634993253 345189585 /nfs/dbraw/zinc/18/95/85/345189585.db2.gz ORYBSIXBBAJNDS-MOKVOYLWSA-N 2 0 237.391 1.010 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccon2)C1 ZINC000634984132 345167907 /nfs/dbraw/zinc/16/79/07/345167907.db2.gz IORKWHHKGNGQFU-LLVKDONJSA-N 2 0 223.320 1.496 20 0 BDADRP C(C1CC1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000156493194 345168209 /nfs/dbraw/zinc/16/82/09/345168209.db2.gz GVZWNOODMPOWFX-CYBMUJFWSA-N 2 0 208.349 1.814 20 0 BDADRP CC[C@@H]1CN(C[C@@H](C[NH3+])C(C)C)CC[C@H]1[NH3+] ZINC000634990854 345173254 /nfs/dbraw/zinc/17/32/54/345173254.db2.gz FXEHWSQIOOMNSO-JHJVBQTASA-N 2 0 227.396 1.277 20 0 BDADRP C(N1CCC([C@@H]2CCC[NH2+]2)CC1)C12CC(C1)C[NH2+]2 ZINC000634990804 345173503 /nfs/dbraw/zinc/17/35/03/345173503.db2.gz CWVBPRTXNNMOJC-BLZCZZARSA-N 2 0 249.402 1.202 20 0 BDADRP CC[C@@H]1CN(C[C@@H](C[NH3+])C(C)C)CC[C@@H]1[NH3+] ZINC000634990855 345173628 /nfs/dbraw/zinc/17/36/28/345173628.db2.gz FXEHWSQIOOMNSO-UPJWGTAASA-N 2 0 227.396 1.277 20 0 BDADRP C[NH2+]CC1CC[NH+](C[C@H](C[NH3+])C(C)C)CC1 ZINC000634990978 345174342 /nfs/dbraw/zinc/17/43/42/345174342.db2.gz KCAULFXCHRRLAD-ZDUSSCGKSA-N 3 0 227.396 1.149 20 0 BDADRP CC(C)[C@@H]([NH3+])CCN(C)C[C@H](C[NH3+])C(C)C ZINC000634991438 345177749 /nfs/dbraw/zinc/17/77/49/345177749.db2.gz DNKAROXGKHIJLC-STQMWFEESA-N 2 0 229.412 1.523 20 0 BDADRP CC(C)[C@H]([NH3+])CCN(C)CC12CC(C1)C[NH2+]2 ZINC000634991641 345178325 /nfs/dbraw/zinc/17/83/25/345178325.db2.gz MOLXBFZWRZFUKC-OTTFEQOBSA-N 2 0 225.380 1.044 20 0 BDADRP CC(C)[C@@H]([NH3+])CCN(C)CC12CC(C1)C[NH2+]2 ZINC000634991640 345178704 /nfs/dbraw/zinc/17/87/04/345178704.db2.gz MOLXBFZWRZFUKC-CPCZMJQVSA-N 2 0 225.380 1.044 20 0 BDADRP C[C@@]1([NH2+]CC23CC(C2)C[NH2+]3)CC=CCC1 ZINC000634996835 345184351 /nfs/dbraw/zinc/18/43/51/345184351.db2.gz WPDULQZZBIBXPX-OTTFEQOBSA-N 2 0 206.333 1.827 20 0 BDADRP CC(C)[C@H](C[NH3+])CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000634995963 345185972 /nfs/dbraw/zinc/18/59/72/345185972.db2.gz VBTGIQHKOPNEIT-IJLUTSLNSA-N 2 0 213.369 1.077 20 0 BDADRP CC(C)[C@H](C[NH3+])C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000634996116 345186429 /nfs/dbraw/zinc/18/64/29/345186429.db2.gz ZQKAHKFXMJJMEV-MGPQQGTHSA-N 3 0 241.423 1.572 20 0 BDADRP COC[C@H](C)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156074490 345123800 /nfs/dbraw/zinc/12/38/00/345123800.db2.gz SROXFHWZBBOLIB-JHJVBQTASA-N 2 0 226.364 1.485 20 0 BDADRP CC[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)[C@@H]1CCCO1 ZINC000634996077 345186936 /nfs/dbraw/zinc/18/69/36/345186936.db2.gz YVLODTCFNZIQTH-QBHFIFKDSA-N 2 0 224.348 1.286 20 0 BDADRP FC1(F)C[C@]12CCN(CC13CC(C1)C[NH2+]3)C2 ZINC000634996381 345187608 /nfs/dbraw/zinc/18/76/08/345187608.db2.gz IJAKJEBWCSOIBS-YVNMAJEFSA-N 2 0 228.286 1.470 20 0 BDADRP CCn1cc(CN2CCCCC[C@@H]([NH3+])C2)cn1 ZINC000634997361 345195339 /nfs/dbraw/zinc/19/53/39/345195339.db2.gz JPNHSNFBUURSFE-CYBMUJFWSA-N 2 0 236.363 1.606 20 0 BDADRP Cc1ccc(O)c(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000634999594 345200826 /nfs/dbraw/zinc/20/08/26/345200826.db2.gz WUOATAXGOYUMJZ-GXSJLCMTSA-N 2 0 235.331 1.122 20 0 BDADRP CC(C)(C)[NH2+]CCN[C@@H]1CCCn2nccc21 ZINC000635002214 345204188 /nfs/dbraw/zinc/20/41/88/345204188.db2.gz OZBCWULSYSOEPS-LLVKDONJSA-N 2 0 236.363 1.696 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000635003076 345205778 /nfs/dbraw/zinc/20/57/78/345205778.db2.gz FPNDGGXNKDZKEX-UTUOFQBUSA-N 2 0 214.353 1.255 20 0 BDADRP C[C@H](N[C@H]1CC[NH2+]CC(C)(C)C1)[C@H]1CCC[NH2+]1 ZINC000635003625 345206155 /nfs/dbraw/zinc/20/61/55/345206155.db2.gz AMFWASZVKJKUDU-RWMBFGLXSA-N 2 0 239.407 1.495 20 0 BDADRP CC(C)(F)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000635003804 345206898 /nfs/dbraw/zinc/20/68/98/345206898.db2.gz LTDHCCAOZIXOKF-ZJUUUORDSA-N 2 0 202.317 1.842 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635004850 345208330 /nfs/dbraw/zinc/20/83/30/345208330.db2.gz QKBAMRNUPUHFTL-VXGBXAGGSA-N 3 0 247.386 1.548 20 0 BDADRP CC(C)(F)C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000635004858 345208360 /nfs/dbraw/zinc/20/83/60/345208360.db2.gz QNAAEGQXRQOAIP-IJLUTSLNSA-N 2 0 244.354 1.481 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCCC12CC2 ZINC000635004898 345208517 /nfs/dbraw/zinc/20/85/17/345208517.db2.gz RDNBXRZWXCQHGL-CYDGBPFRSA-N 2 0 238.375 1.661 20 0 BDADRP C[C@@H](Cn1cccn1)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635004954 345208547 /nfs/dbraw/zinc/20/85/47/345208547.db2.gz KXZJLGFUELWLMO-AVGNSLFASA-N 2 0 236.363 1.379 20 0 BDADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000635005130 345209406 /nfs/dbraw/zinc/20/94/06/345209406.db2.gz MQFXEZDLUYYVIN-SYQHCUMBSA-N 3 0 239.407 1.754 20 0 BDADRP CCC[C@@H](CCO)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000635005297 345209477 /nfs/dbraw/zinc/20/94/77/345209477.db2.gz UEUTUHJWMOBVIX-SRVKXCTJSA-N 2 0 214.353 1.268 20 0 BDADRP CCOC[C@@H](C)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635010423 345212634 /nfs/dbraw/zinc/21/26/34/345212634.db2.gz KTECSISOEOKJQV-GFCCVEGCSA-N 2 0 248.370 1.847 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)[C@@H]1CCCO1 ZINC000635011249 345212670 /nfs/dbraw/zinc/21/26/70/345212670.db2.gz MXFICXDIPYOPJU-AVGNSLFASA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCn2nccc21 ZINC000635012797 345215421 /nfs/dbraw/zinc/21/54/21/345215421.db2.gz PBAKEESSYSVRGL-VXGBXAGGSA-N 2 0 236.363 1.825 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)CCOC)C1 ZINC000446780484 537896391 /nfs/dbraw/zinc/89/63/91/537896391.db2.gz KNKPKLVGKRDNCM-CHWSQXEVSA-N 2 0 228.380 1.685 20 0 BDADRP [NH3+]CCC1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000400637812 345332108 /nfs/dbraw/zinc/33/21/08/345332108.db2.gz RDGMEZSWWMJDFH-ZDUSSCGKSA-N 2 0 226.364 1.474 20 0 BDADRP C[C@H]1CN(C)C[C@H]1[NH2+]CCOCC1CCC1 ZINC000381353377 345453344 /nfs/dbraw/zinc/45/33/44/345453344.db2.gz BWSSHIXLBKJKIV-WCQYABFASA-N 2 0 226.364 1.343 20 0 BDADRP CCC[NH+]1CCC([NH2+]CCSC)CC1 ZINC000070184152 345454781 /nfs/dbraw/zinc/45/47/81/345454781.db2.gz HLKOZHXPQGPLGI-UHFFFAOYSA-N 2 0 216.394 1.813 20 0 BDADRP COCCCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158966593 345392824 /nfs/dbraw/zinc/39/28/24/345392824.db2.gz HZDYTZCEUBXQIZ-KGLIPLIRSA-N 2 0 240.391 1.829 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]C2CCC(O)CC2)[C@@H](C)C1 ZINC000090799982 345576043 /nfs/dbraw/zinc/57/60/43/345576043.db2.gz XXCKJDQECAIBHG-GFJIZPEISA-N 2 0 240.391 1.610 20 0 BDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]CC1(C)CCC1 ZINC000434777245 537900451 /nfs/dbraw/zinc/90/04/51/537900451.db2.gz OYRUFLAQWYTWJB-ZDUSSCGKSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@H](NC[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCC[NH2+]1 ZINC000400727625 345643837 /nfs/dbraw/zinc/64/38/37/345643837.db2.gz PUUMMYRAYGFCPT-AVGNSLFASA-N 2 0 225.380 1.058 20 0 BDADRP C[C@H](NC[C@@H]1CCC[N@H+](C)C1)[C@H]1CCC[NH2+]1 ZINC000400727626 345644091 /nfs/dbraw/zinc/64/40/91/345644091.db2.gz PUUMMYRAYGFCPT-RWMBFGLXSA-N 2 0 225.380 1.058 20 0 BDADRP CC[C@@H](O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000363576744 345798215 /nfs/dbraw/zinc/79/82/15/345798215.db2.gz CPUYYNNVOGNHHE-YIYPIFLZSA-N 2 0 238.375 1.173 20 0 BDADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@H](CC(C)C)C1 ZINC000563268596 323107169 /nfs/dbraw/zinc/10/71/69/323107169.db2.gz NCTSPJLLKYKPTC-CHWSQXEVSA-N 2 0 228.380 1.325 20 0 BDADRP Cc1ncc(C[NH2+]CC2CC[NH+](C3CC3)CC2)o1 ZINC000628253521 346230401 /nfs/dbraw/zinc/23/04/01/346230401.db2.gz LUXQRTWHBGIIMO-UHFFFAOYSA-N 2 0 249.358 1.947 20 0 BDADRP Cc1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc(C)c1O ZINC000090320168 537956612 /nfs/dbraw/zinc/95/66/12/537956612.db2.gz FHVGQBNQBZQTFC-KBPBESRZSA-N 2 0 246.354 1.660 20 0 BDADRP CC[N@@H+]1CC[C@H](NCC(C)(C)[NH+](C)C)[C@H](C)C1 ZINC000152602002 346263797 /nfs/dbraw/zinc/26/37/97/346263797.db2.gz QQFMOCPIFYZJDS-OLZOCXBDSA-N 2 0 241.423 1.647 20 0 BDADRP C[C@@]1(C[N@@H+]2CCn3cncc3C2)CCCS1 ZINC000628285678 346296557 /nfs/dbraw/zinc/29/65/57/346296557.db2.gz CKOQWVJCUHHMFB-LBPRGKRZSA-N 2 0 237.372 1.984 20 0 BDADRP CC1(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000309507622 347089943 /nfs/dbraw/zinc/08/99/43/347089943.db2.gz NUJYFXMATCQABC-CYBMUJFWSA-N 2 0 208.349 1.862 20 0 BDADRP C[C@@H](CN(C)C)[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000381552283 346333444 /nfs/dbraw/zinc/33/34/44/346333444.db2.gz NFVYCKYHUCOVHA-GMXVVIOVSA-N 2 0 225.380 1.009 20 0 BDADRP CCC(F)(F)CN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000641800394 362751717 /nfs/dbraw/zinc/75/17/17/362751717.db2.gz XEYNLSZIUMIFBW-NXEZZACHSA-N 2 0 220.307 1.948 20 0 BDADRP CCC(F)(F)CN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000641800397 362752164 /nfs/dbraw/zinc/75/21/64/362752164.db2.gz XEYNLSZIUMIFBW-ZJUUUORDSA-N 2 0 220.307 1.948 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCCOC2)CC1 ZINC000070013991 349970759 /nfs/dbraw/zinc/97/07/59/349970759.db2.gz WGGRBJUVVNSSPM-CYBMUJFWSA-N 2 0 226.364 1.487 20 0 BDADRP Cc1ncccc1C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641801481 362754972 /nfs/dbraw/zinc/75/49/72/362754972.db2.gz RBOXPXFDNMGOEH-VXGBXAGGSA-N 2 0 219.332 1.605 20 0 BDADRP CCO[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)C1CC1 ZINC000641801980 362758606 /nfs/dbraw/zinc/75/86/06/362758606.db2.gz XFNALPJJFXSNPC-IJLUTSLNSA-N 2 0 226.364 1.517 20 0 BDADRP Cc1cccc(NC(=O)CN2CC[C@H](C[NH3+])C2)c1 ZINC000050247098 179127598 /nfs/dbraw/zinc/12/75/98/179127598.db2.gz OGCSZIFASHITRJ-GFCCVEGCSA-N 2 0 247.342 1.214 20 0 BDADRP CC[C@H](O)C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000580641351 365840598 /nfs/dbraw/zinc/84/05/98/365840598.db2.gz NTPYBISDQWYNPJ-BPCQOVAHSA-N 2 0 226.364 1.364 20 0 BDADRP CC[NH+]1CCC(CC[NH2+]C[C@@H](C)COC)CC1 ZINC000188043216 346709386 /nfs/dbraw/zinc/70/93/86/346709386.db2.gz LFUQQGLMGUCXCB-CYBMUJFWSA-N 2 0 242.407 1.981 20 0 BDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000580715598 346678169 /nfs/dbraw/zinc/67/81/69/346678169.db2.gz LJXPUBMQUWJJNJ-OUAUKWLOSA-N 2 0 243.395 1.253 20 0 BDADRP CCOC[C@H](C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624121013 346682904 /nfs/dbraw/zinc/68/29/04/346682904.db2.gz LNQHZYYARYMFQB-QWHCGFSZSA-N 2 0 228.380 1.733 20 0 BDADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)C[C@H]1CCCCO1 ZINC000250006894 133644231 /nfs/dbraw/zinc/64/42/31/133644231.db2.gz TXHHLNRACUGQBC-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP COC[C@H](C)C[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622004613 370655750 /nfs/dbraw/zinc/65/57/50/370655750.db2.gz RERXJAPZHUGGHO-WOPDTQHZSA-N 2 0 212.337 1.082 20 0 BDADRP CC[NH+]1CCC(N[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000309664256 347130739 /nfs/dbraw/zinc/13/07/39/347130739.db2.gz SOMWBKSAYYXFIE-WCQYABFASA-N 2 0 225.380 1.010 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cccc2c[nH]nc21 ZINC000580326333 347131603 /nfs/dbraw/zinc/13/16/03/347131603.db2.gz OJPBKWLOLSPTJG-NXEZZACHSA-N 2 0 232.331 1.778 20 0 BDADRP CCCCOCC[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000309826755 347178027 /nfs/dbraw/zinc/17/80/27/347178027.db2.gz XMBHTQDCLRTWJK-LBPRGKRZSA-N 2 0 214.353 1.520 20 0 BDADRP COC(=O)CCCC[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601328003 347213567 /nfs/dbraw/zinc/21/35/67/347213567.db2.gz DCNZAMMRSFCVCK-YPMHNXCESA-N 2 0 240.347 1.061 20 0 BDADRP CN1CC[N@H+](CC[C@H]2CC[NH2+]C2)CC1(C)C ZINC000250798430 362822572 /nfs/dbraw/zinc/82/25/72/362822572.db2.gz NLIGNYFBMVRXKK-GFCCVEGCSA-N 2 0 225.380 1.012 20 0 BDADRP CSCC1CCC([NH2+]C[C@@H](C)[NH3+])CC1 ZINC000591580649 347677902 /nfs/dbraw/zinc/67/79/02/347677902.db2.gz FVDXFTMWYIGHOC-KPPDAEKUSA-N 2 0 216.394 1.845 20 0 BDADRP CCSCC[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000252915095 347703151 /nfs/dbraw/zinc/70/31/51/347703151.db2.gz SLELGMBKDDXUQA-GHMZBOCLSA-N 2 0 216.394 1.799 20 0 BDADRP CC(C)OC(=O)C[C@H](N[C@@H]1CC[NH2+]C1)C(C)C ZINC000594583534 348076635 /nfs/dbraw/zinc/07/66/35/348076635.db2.gz UMJAXXLWHBIQFL-NEPJUHHUSA-N 2 0 242.363 1.304 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C2CC=CC2)CN1C1CC1 ZINC000122097739 490125124 /nfs/dbraw/zinc/12/51/24/490125124.db2.gz DGWFJLXHQRBOGA-ZYHUDNBSSA-N 2 0 206.333 1.920 20 0 BDADRP CSC1(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000594612761 348083101 /nfs/dbraw/zinc/08/31/01/348083101.db2.gz HUMLYQDSODBJMT-PHIMTYICSA-N 2 0 228.405 1.812 20 0 BDADRP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCCC[NH+](C)C ZINC000594917222 348152647 /nfs/dbraw/zinc/15/26/47/348152647.db2.gz ICMMVHMFUFHMLA-IJLUTSLNSA-N 2 0 242.363 1.115 20 0 BDADRP Cc1cccnc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000130917937 179378335 /nfs/dbraw/zinc/37/83/35/179378335.db2.gz VUUJMUSKLITTDT-MJBXVCDLSA-N 2 0 245.370 1.949 20 0 BDADRP C[C@@H](CCc1ccco1)[NH2+]CC(C)(C)[NH3+] ZINC000309003309 323184270 /nfs/dbraw/zinc/18/42/70/323184270.db2.gz MDGICIGGGQFYPY-JTQLQIEISA-N 2 0 210.321 1.928 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+]CC2(CO)CCC2)CC1(C)C ZINC000623490693 362915687 /nfs/dbraw/zinc/91/56/87/362915687.db2.gz STFBPSDOXZQGBN-GFCCVEGCSA-N 2 0 240.391 1.611 20 0 BDADRP CC[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000049709332 348830998 /nfs/dbraw/zinc/83/09/98/348830998.db2.gz OGCXBMZPWNQLFE-QWHCGFSZSA-N 2 0 228.380 1.733 20 0 BDADRP CN(C[C@H](O)C[N@H+]1C[C@@H]2[C@H](C1)C2(C)C)C1CC1 ZINC000351527264 490223626 /nfs/dbraw/zinc/22/36/26/490223626.db2.gz ZECZUUBFWUMMCW-RWMBFGLXSA-N 2 0 238.375 1.029 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C[C@H]2CCCOC2)C1 ZINC000250518175 349174927 /nfs/dbraw/zinc/17/49/27/349174927.db2.gz RMVQYHBINMRXKQ-UONOGXRCSA-N 2 0 240.391 1.733 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@H](C)COC)C1 ZINC000253130513 349225127 /nfs/dbraw/zinc/22/51/27/349225127.db2.gz VSUAQYXDVSQKOS-RYUDHWBXSA-N 2 0 214.353 1.200 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CCCOC1 ZINC000530214977 323216970 /nfs/dbraw/zinc/21/69/70/323216970.db2.gz ZNTWYSUYSHDCSF-IHRRRGAJSA-N 2 0 240.391 1.910 20 0 BDADRP CC[C@H](CCO)[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386536971 349250123 /nfs/dbraw/zinc/25/01/23/349250123.db2.gz CCKSKDULOSXXIC-QJPTWQEYSA-N 2 0 214.353 1.268 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]CCC[NH3+])C12CCCC2 ZINC000082945701 349349789 /nfs/dbraw/zinc/34/97/89/349349789.db2.gz RIJRECGOLWECED-NWDGAFQWSA-N 2 0 226.364 1.663 20 0 BDADRP C[C@@H](C[NH+](C)C)N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623524996 362945539 /nfs/dbraw/zinc/94/55/39/362945539.db2.gz ROBSJLHKUVCADH-RYUDHWBXSA-N 2 0 227.396 1.399 20 0 BDADRP COC[C@@H](C)C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000300914675 349429350 /nfs/dbraw/zinc/42/93/50/349429350.db2.gz XVKYVXGTAYIPII-QWRGUYRKSA-N 2 0 214.353 1.247 20 0 BDADRP C[C@@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)C[NH+](C)C ZINC000623530250 362949782 /nfs/dbraw/zinc/94/97/82/362949782.db2.gz RIYNLJQEFPPHPT-QWHCGFSZSA-N 2 0 241.423 1.647 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCCO1 ZINC000132072039 191024196 /nfs/dbraw/zinc/02/41/96/191024196.db2.gz JLDSDNGIJQPGTL-WOPDTQHZSA-N 2 0 212.337 1.095 20 0 BDADRP C[C@H]([NH2+]CC(C)(C)N(C)C)[C@@H]1CCOC1 ZINC000132046690 191024269 /nfs/dbraw/zinc/02/42/69/191024269.db2.gz LWLDFWBJFUXQLB-WDEREUQCSA-N 2 0 214.353 1.341 20 0 BDADRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)[C@H]1CCOC1 ZINC000132248988 191028882 /nfs/dbraw/zinc/02/88/82/191028882.db2.gz YBMINTWUQYJWDN-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP Cc1ncc(C[NH2+][C@H](C)C[C@H](C)[NH3+])s1 ZINC000422740509 192449033 /nfs/dbraw/zinc/44/90/33/192449033.db2.gz MWJXXPJDCALYRD-JGVFFNPUSA-N 2 0 213.350 1.667 20 0 BDADRP C(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)[C@H]1CCOC1 ZINC000334278666 538062588 /nfs/dbraw/zinc/06/25/88/538062588.db2.gz POMUBUSWROSZCU-UONOGXRCSA-N 2 0 238.375 1.489 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000309192801 350166959 /nfs/dbraw/zinc/16/69/59/350166959.db2.gz CRDOUTMHBCPPGP-STQMWFEESA-N 3 0 227.396 1.435 20 0 BDADRP CC(C)[N@@H+](C)C[C@@H](C)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000309193948 350167030 /nfs/dbraw/zinc/16/70/30/350167030.db2.gz CXZWEHAVMWVGAI-JHJVBQTASA-N 2 0 227.396 1.575 20 0 BDADRP COCC(C)(C)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427128213 191053969 /nfs/dbraw/zinc/05/39/69/191053969.db2.gz KACBPKBLXWCOPV-RYUDHWBXSA-N 2 0 226.364 1.343 20 0 BDADRP Cc1ncc(C[N@H+](C)CC2CC[NH2+]CC2)s1 ZINC000086701577 180138778 /nfs/dbraw/zinc/13/87/78/180138778.db2.gz HXALRLCKGNFHBW-UHFFFAOYSA-N 2 0 239.388 1.883 20 0 BDADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)COC)C1 ZINC000151140529 191059440 /nfs/dbraw/zinc/05/94/40/191059440.db2.gz SNOQTMKNSNAEAM-RYUDHWBXSA-N 2 0 214.353 1.343 20 0 BDADRP Cc1nccc(N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)n1 ZINC000272255982 180194964 /nfs/dbraw/zinc/19/49/64/180194964.db2.gz ZGWRULAEXWESPT-NEPJUHHUSA-N 2 0 232.331 1.315 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2cccnc2)C1 ZINC000221395468 350209660 /nfs/dbraw/zinc/20/96/60/350209660.db2.gz UHUCFTHIFWNQHM-DGCLKSJQSA-N 2 0 219.332 1.689 20 0 BDADRP [NH3+]CC1CCC([NH2+]CCC2CCOCC2)CC1 ZINC000422738793 192450081 /nfs/dbraw/zinc/45/00/81/192450081.db2.gz ZLIIXRRFDSXICT-UHFFFAOYSA-N 2 0 240.391 1.910 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CCn1cnc2ccccc21 ZINC000422772500 192461764 /nfs/dbraw/zinc/46/17/64/192461764.db2.gz ZDZDDHHNAPRDTM-LBPRGKRZSA-N 2 0 246.358 1.753 20 0 BDADRP CC(C)(C)C[C@H](O)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422771717 192462073 /nfs/dbraw/zinc/46/20/73/192462073.db2.gz YHVXNCDJDPWOHR-BPCQOVAHSA-N 2 0 242.407 1.891 20 0 BDADRP CC[NH+](CC)CCCNC1CC[NH2+]CC1 ZINC000038040576 350303064 /nfs/dbraw/zinc/30/30/64/350303064.db2.gz BLFAEATVEVJWOY-UHFFFAOYSA-N 2 0 213.369 1.060 20 0 BDADRP Cc1ncsc1CC[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050285440 180308950 /nfs/dbraw/zinc/30/89/50/180308950.db2.gz SUGCGKQPQXACSW-SNVBAGLBSA-N 2 0 225.361 1.275 20 0 BDADRP C[C@H]1C[C@@H](NCCC[NH+](C)C)C[N@@H+]1C1CC1 ZINC000132005712 191101328 /nfs/dbraw/zinc/10/13/28/191101328.db2.gz JKVYEHQRRVTDML-NWDGAFQWSA-N 2 0 225.380 1.153 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCC[C@@H]2O)CC[C@@H]1[NH3+] ZINC000328218632 350393692 /nfs/dbraw/zinc/39/36/92/350393692.db2.gz XRXZPDBSYHRCPX-VOAKCMCISA-N 2 0 226.364 1.207 20 0 BDADRP CCN1CCC([N@H+](C)CCSC)CC1 ZINC000336673099 350431350 /nfs/dbraw/zinc/43/13/50/350431350.db2.gz OJEJUPASSSWWQN-UHFFFAOYSA-N 2 0 216.394 1.766 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)CC1CC[NH2+]CC1 ZINC000162851354 350445290 /nfs/dbraw/zinc/44/52/90/350445290.db2.gz WRARXXYXLRRFDH-LBPRGKRZSA-N 2 0 241.379 1.010 20 0 BDADRP CC(C)C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000336680447 350440135 /nfs/dbraw/zinc/44/01/35/350440135.db2.gz QGPIFAILVUSANE-UHFFFAOYSA-N 2 0 228.380 1.685 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH2+]CC2)[C@@H](C)O1 ZINC000384726387 350493247 /nfs/dbraw/zinc/49/32/47/350493247.db2.gz JCWYXQJGDXWAKA-CKYFFXLPSA-N 2 0 212.337 1.142 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2CC[NH2+]CC2)[C@H](C)O1 ZINC000384726390 350492820 /nfs/dbraw/zinc/49/28/20/350492820.db2.gz JCWYXQJGDXWAKA-SCVCMEIPSA-N 2 0 212.337 1.142 20 0 BDADRP CC[NH+]1CCC(N(C)Cc2cnc(C)cn2)CC1 ZINC000336722590 350483239 /nfs/dbraw/zinc/48/32/39/350483239.db2.gz YDCNIOCSAQHSME-UHFFFAOYSA-N 2 0 248.374 1.701 20 0 BDADRP CC[NH2+]C(C)(C)CN1CC[NH+](CC)CC1 ZINC000061299632 350509604 /nfs/dbraw/zinc/50/96/04/350509604.db2.gz ZNCRJHMJGXAWCR-UHFFFAOYSA-N 2 0 213.369 1.012 20 0 BDADRP CC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000339008854 350726169 /nfs/dbraw/zinc/72/61/69/350726169.db2.gz DGOWEHAUWNEDRS-UONOGXRCSA-N 2 0 240.391 1.421 20 0 BDADRP C[C@H]1CSCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000251761518 350902682 /nfs/dbraw/zinc/90/26/82/350902682.db2.gz LWRKTBUTIHNXKT-UWVGGRQHSA-N 2 0 200.351 1.033 20 0 BDADRP CCCC[C@@H](COC)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000336676657 350882977 /nfs/dbraw/zinc/88/29/77/350882977.db2.gz BVTGXGPTCVMQMJ-OLZOCXBDSA-N 2 0 230.396 1.979 20 0 BDADRP CC(C)CC[C@@H]([NH3+])C(=O)Nc1cccc(C[NH3+])c1 ZINC000637800265 351635302 /nfs/dbraw/zinc/63/53/02/351635302.db2.gz COSAQOMZXPJBAL-CYBMUJFWSA-N 2 0 249.358 1.847 20 0 BDADRP CC(C)CC[C@@H]([NH3+])C(=O)N1CCCC[C@H]1C[NH3+] ZINC000637816454 351655924 /nfs/dbraw/zinc/65/59/24/351655924.db2.gz LWPBXQYHLYOOMB-NWDGAFQWSA-N 2 0 241.379 1.090 20 0 BDADRP CC(C)[NH2+]CCCN[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000577739715 366047989 /nfs/dbraw/zinc/04/79/89/366047989.db2.gz BSBUZMDSRFMCHE-STQMWFEESA-N 3 0 227.396 1.304 20 0 BDADRP CC[NH2+][C@@H](C)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000637857450 351718100 /nfs/dbraw/zinc/71/81/00/351718100.db2.gz WKYYMYVQTNWMIB-ZJUUUORDSA-N 2 0 235.331 1.643 20 0 BDADRP [NH3+][C@H]1C[C@@H](C(=O)Nc2cccc3c2CC[NH2+]C3)C1 ZINC000577753611 366055220 /nfs/dbraw/zinc/05/52/20/366055220.db2.gz USFAYZVQSLGVHA-PHIMTYICSA-N 2 0 245.326 1.008 20 0 BDADRP C[NH+](C)CC1CC[NH+](CCC[C@@H]2CCO2)CC1 ZINC000637907030 351777057 /nfs/dbraw/zinc/77/70/57/351777057.db2.gz FXNMZNBIDMHYNI-CQSZACIVSA-N 2 0 240.391 1.829 20 0 BDADRP COCCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000178029819 366079476 /nfs/dbraw/zinc/07/94/76/366079476.db2.gz YEAVDVBCGMSAAH-OLZOCXBDSA-N 2 0 228.380 1.733 20 0 BDADRP CC[NH2+]Cc1cccc(N[C@@H]2CCC[NH2+]C2)c1 ZINC000414868001 351966224 /nfs/dbraw/zinc/96/62/24/351966224.db2.gz OEUSSGBJANIXPJ-CQSZACIVSA-N 2 0 233.359 1.960 20 0 BDADRP C[N@@H+]1CC[C@@H](CC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000638174361 352042898 /nfs/dbraw/zinc/04/28/98/352042898.db2.gz LWABIGSGHLCABM-LBPRGKRZSA-N 2 0 247.342 1.426 20 0 BDADRP CC[C@@H](C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638289082 352124681 /nfs/dbraw/zinc/12/46/81/352124681.db2.gz COWUOEINHLSKIE-LLVKDONJSA-N 2 0 228.380 1.610 20 0 BDADRP CC(C)CC[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638288870 352126664 /nfs/dbraw/zinc/12/66/64/352126664.db2.gz CSBWFCLQVYDVAS-UHFFFAOYSA-N 2 0 242.407 1.857 20 0 BDADRP CCN1CCC[C@H]1C[NH2+]C[C@](C)(OC)C1CC1 ZINC000638280836 352116822 /nfs/dbraw/zinc/11/68/22/352116822.db2.gz KVGZGGYFIRFUCI-KBPBESRZSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)CC[C@@H]([NH3+])C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000638427363 352235797 /nfs/dbraw/zinc/23/57/97/352235797.db2.gz HPPJJTFJSJFFBY-VXGBXAGGSA-N 2 0 243.395 1.240 20 0 BDADRP CC[N@@H+]1CCC[C@@H](C[NH2+]CCC[C@@H]2CCO2)C1 ZINC000638452236 352262068 /nfs/dbraw/zinc/26/20/68/352262068.db2.gz VVVOSTJXQLJWAY-UONOGXRCSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@@]1(C[NH2+]C[C@H]2CCSC2)CCC[NH2+]C1 ZINC000414918268 352273534 /nfs/dbraw/zinc/27/35/34/352273534.db2.gz UCRJJGQASZBBOQ-VXGBXAGGSA-N 2 0 228.405 1.719 20 0 BDADRP CC(C)COCC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261598542 535177613 /nfs/dbraw/zinc/17/76/13/535177613.db2.gz ZPYXQNKMGSPQOV-ZDUSSCGKSA-N 2 0 226.364 1.344 20 0 BDADRP C[NH+]1CCC(CC[NH2+]CCC[C@H]2CCO2)CC1 ZINC000638567176 352393794 /nfs/dbraw/zinc/39/37/94/352393794.db2.gz YRGLLUBXZAWNFJ-AWEZNQCLSA-N 2 0 240.391 1.877 20 0 BDADRP CCCCOCC[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000336743133 352487541 /nfs/dbraw/zinc/48/75/41/352487541.db2.gz XQTZNADFHUDBSW-NWDGAFQWSA-N 2 0 214.353 1.343 20 0 BDADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCO[C@@H]1C ZINC000349725944 133903686 /nfs/dbraw/zinc/90/36/86/133903686.db2.gz YZVBMBUYHXMBJC-CHWSQXEVSA-N 2 0 244.379 1.112 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000040503691 352597956 /nfs/dbraw/zinc/59/79/56/352597956.db2.gz SVPGHCZWYSZFBE-YPMHNXCESA-N 2 0 241.379 1.104 20 0 BDADRP CCN1CCC[C@H]1C[NH2+][C@H](C)C(C)(C)OC ZINC000300992194 352582714 /nfs/dbraw/zinc/58/27/14/352582714.db2.gz LTDAJOQEXYWENG-NEPJUHHUSA-N 2 0 228.380 1.874 20 0 BDADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](C/C=C/Cl)C2 ZINC000307601075 352667087 /nfs/dbraw/zinc/66/70/87/352667087.db2.gz UITIKJHIMDXKGN-GGYDMKNQSA-N 2 0 214.740 1.800 20 0 BDADRP C[NH+](C)[C@H](CN[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000043324445 352636471 /nfs/dbraw/zinc/63/64/71/352636471.db2.gz TXWNOZZPSONKDV-LSDHHAIUSA-N 2 0 247.386 1.631 20 0 BDADRP C(C[N@@H+]1CCO[C@@H]2CCC[C@H]21)C1CC[NH2+]CC1 ZINC000043425689 352637451 /nfs/dbraw/zinc/63/74/51/352637451.db2.gz RDXMTKJGSMBUBN-ZIAGYGMSSA-N 2 0 238.375 1.629 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000043427979 352637566 /nfs/dbraw/zinc/63/75/66/352637566.db2.gz NSKJYGFQPCMRSK-STQMWFEESA-N 2 0 224.348 1.239 20 0 BDADRP Cc1cccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])c1 ZINC000422810951 192476665 /nfs/dbraw/zinc/47/66/65/192476665.db2.gz VAKHVAHCXXZXLX-AEGPPILISA-N 2 0 248.370 1.837 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@H]1NCCC[NH+]1CCCCC1 ZINC000343034566 352941821 /nfs/dbraw/zinc/94/18/21/352941821.db2.gz NTKPLJQOETZULN-ZIAGYGMSSA-N 2 0 239.407 1.402 20 0 BDADRP CO[C@H](C[NH2+][C@@H](C)C[C@@H](C)[NH3+])C(C)C ZINC000422808599 192476128 /nfs/dbraw/zinc/47/61/28/192476128.db2.gz OOLJXUHUWNZYRR-OUAUKWLOSA-N 2 0 202.342 1.373 20 0 BDADRP C(C[NH2+]CCC[NH+]1CCCC1)C[C@@H]1CCO1 ZINC000638849593 353029779 /nfs/dbraw/zinc/02/97/79/353029779.db2.gz XDYGKDAZKKGBLT-CYBMUJFWSA-N 2 0 226.364 1.631 20 0 BDADRP CCOC1CC(C[NH2+]CCC[NH+]2CCCC2)C1 ZINC000638849644 353029789 /nfs/dbraw/zinc/02/97/89/353029789.db2.gz YMCOOPVVLJHAEW-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP CCC[N@H+](C)CC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638819547 352999270 /nfs/dbraw/zinc/99/92/70/352999270.db2.gz KKGHPMIUOPFLDN-GFCCVEGCSA-N 2 0 241.379 1.058 20 0 BDADRP C[C@@H]1CCN(CC[NH2+][C@H]2CS[C@H](C)C2)C1 ZINC000638870639 353043128 /nfs/dbraw/zinc/04/31/28/353043128.db2.gz DUYYZDZBYAVQDV-IJLUTSLNSA-N 2 0 228.405 1.812 20 0 BDADRP CC[C@H](C(=O)N1C[C@H]([NH3+])C[C@@H]1C)[NH+](CC)CC ZINC000638934397 353097638 /nfs/dbraw/zinc/09/76/38/353097638.db2.gz HUBSQHRGPKADFK-QJPTWQEYSA-N 2 0 241.379 1.055 20 0 BDADRP CC[C@H](C(=O)NC1(C[NH3+])CCCCC1)[NH+](C)C ZINC000638999204 353245905 /nfs/dbraw/zinc/24/59/05/353245905.db2.gz XZXRTEIVQBNFPK-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP C[NH2+]CCC(=O)N1CC[C@@H](C[NH3+])c2ccccc21 ZINC000639064209 353374514 /nfs/dbraw/zinc/37/45/14/353374514.db2.gz CQRGDRRRUJGYFX-NSHDSACASA-N 2 0 247.342 1.075 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccncc3)C[C@@H]21 ZINC000230126589 353473607 /nfs/dbraw/zinc/47/36/07/353473607.db2.gz MCOXTWXUTWSZGZ-MELADBBJSA-N 2 0 231.343 1.641 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H](CO)c2cccnc2)C1 ZINC000577865696 366091528 /nfs/dbraw/zinc/09/15/28/366091528.db2.gz KIGOYIORGATVSH-MJBXVCDLSA-N 2 0 249.358 1.017 20 0 BDADRP Cc1nc(CN(C)[C@@H]2CCC[NH2+]CC2)oc1C ZINC000231670636 353642029 /nfs/dbraw/zinc/64/20/29/353642029.db2.gz GHFGPYRYFFHLET-GFCCVEGCSA-N 2 0 237.347 1.865 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000577887031 366096494 /nfs/dbraw/zinc/09/64/94/366096494.db2.gz BHDFSAHMGXABNP-FIQHERPVSA-N 2 0 212.337 1.413 20 0 BDADRP C[C@@H]1CN(CC[NH+]2CCCCC2)[C@@H](C)C[N@@H+]1C ZINC000334522796 353890689 /nfs/dbraw/zinc/89/06/89/353890689.db2.gz ZSHBDNXDGRLWTB-KGLIPLIRSA-N 2 0 239.407 1.497 20 0 BDADRP CO[C@](C)(C[NH2+]C[C@H]1CCC[N@H+](C)C1)C1CC1 ZINC000393861537 353972705 /nfs/dbraw/zinc/97/27/05/353972705.db2.gz IPMZUTZLBWHWPK-TZMCWYRMSA-N 2 0 240.391 1.733 20 0 BDADRP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)ccn1 ZINC000630078599 363282735 /nfs/dbraw/zinc/28/27/35/363282735.db2.gz URQKTZNSQBBMPI-ZWNOBZJWSA-N 2 0 219.332 1.417 20 0 BDADRP CC[N@H+](CCN[C@H]1C[NH+](CC)C[C@H]1C)C(C)C ZINC000343907991 354036512 /nfs/dbraw/zinc/03/65/12/354036512.db2.gz GYKIPJIGCZZOBM-KGLIPLIRSA-N 2 0 241.423 1.647 20 0 BDADRP CO[C@@H](CC(C)C)C[N@H+](C)CCC[NH+](C)C ZINC000639167716 354038662 /nfs/dbraw/zinc/03/86/62/354038662.db2.gz KDAWRRBUDUVTMJ-ZDUSSCGKSA-N 2 0 230.396 1.931 20 0 BDADRP CSCC[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344029979 354093233 /nfs/dbraw/zinc/09/32/33/354093233.db2.gz BJANRICVFUIGIW-UHFFFAOYSA-N 2 0 247.452 1.165 20 0 BDADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000449683815 202003536 /nfs/dbraw/zinc/00/35/36/202003536.db2.gz OBKINJXCALUZBK-UTUOFQBUSA-N 2 0 241.379 1.008 20 0 BDADRP Cc1ccc(C[NH+]2CCC(C[NH3+])CC2)c(C)n1 ZINC000334588818 354216297 /nfs/dbraw/zinc/21/62/97/354216297.db2.gz YUVRPRVSDXERAL-UHFFFAOYSA-N 2 0 233.359 1.869 20 0 BDADRP C/C=C\C[C@@H](CO)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000349376659 366182512 /nfs/dbraw/zinc/18/25/12/366182512.db2.gz GSUYBGPBSXGVHX-WSNITJDQSA-N 2 0 240.391 1.776 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1NC(=O)c1ccc(C[NH3+])cc1 ZINC000334662290 354461591 /nfs/dbraw/zinc/46/15/91/354461591.db2.gz YTBKQRLPYPQVRY-GFCCVEGCSA-N 2 0 247.342 1.016 20 0 BDADRP C[NH2+]C1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000578070704 366219504 /nfs/dbraw/zinc/21/95/04/366219504.db2.gz BTOBMUALHVPNHS-GFCCVEGCSA-N 3 0 225.380 1.060 20 0 BDADRP Cc1n[nH]cc1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000334649516 354440907 /nfs/dbraw/zinc/44/09/07/354440907.db2.gz HDSDSYODFGXFFG-GXSJLCMTSA-N 2 0 222.336 1.277 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415001216 229709149 /nfs/dbraw/zinc/70/91/49/229709149.db2.gz KRIQEPIGBPWVAS-USZNOCQGSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@@H](F)CC[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639211855 354763877 /nfs/dbraw/zinc/76/38/77/354763877.db2.gz YWXFBMSFQNXVGC-LLVKDONJSA-N 2 0 246.370 1.559 20 0 BDADRP CC(C)COCC[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000232672664 363378340 /nfs/dbraw/zinc/37/83/40/363378340.db2.gz MZKBHZNLBDDGNF-LBPRGKRZSA-N 2 0 214.353 1.330 20 0 BDADRP CC(C)COCC[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000232672387 363378868 /nfs/dbraw/zinc/37/88/68/363378868.db2.gz DQZMEJYTCNNYNW-VXGBXAGGSA-N 2 0 214.353 1.328 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CCC(C)C ZINC000234714810 363428181 /nfs/dbraw/zinc/42/81/81/363428181.db2.gz PIWSKPYLEDAMQM-LLVKDONJSA-N 2 0 202.342 1.376 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CCCSC ZINC000234783546 363430665 /nfs/dbraw/zinc/43/06/65/363430665.db2.gz DMCVJRSBNAGJAE-JTQLQIEISA-N 2 0 220.382 1.083 20 0 BDADRP CC[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H]2C[NH2+]C)CCO1 ZINC000346678603 355010198 /nfs/dbraw/zinc/01/01/98/355010198.db2.gz MEEKTWBJDDQKBM-MGPQQGTHSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc3c2OCO3)C1 ZINC000346633552 355014687 /nfs/dbraw/zinc/01/46/87/355014687.db2.gz FMJFVAYXTNKPBS-QWRGUYRKSA-N 2 0 248.326 1.584 20 0 BDADRP C[NH+](C)CCSCC[N@@H+]1CCCOCC1 ZINC000413000510 191334290 /nfs/dbraw/zinc/33/42/90/191334290.db2.gz PICQVGQRTDGHKP-UHFFFAOYSA-N 2 0 232.393 1.004 20 0 BDADRP CC(C)OCC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113514672 355250827 /nfs/dbraw/zinc/25/08/27/355250827.db2.gz OTHNUMFFPXYTBH-GFCCVEGCSA-N 2 0 214.353 1.295 20 0 BDADRP CC[NH+](CC)CCCN[C@H]1C[N@H+](CC)C[C@H]1C ZINC000347664110 355255158 /nfs/dbraw/zinc/25/51/58/355255158.db2.gz OUUBWNIOEFUOPT-KGLIPLIRSA-N 2 0 241.423 1.648 20 0 BDADRP C[N@@H+]1CCC[C@@H](CC[NH2+]CCC[C@@H]2CCO2)C1 ZINC000639257309 355302439 /nfs/dbraw/zinc/30/24/39/355302439.db2.gz LVWDPJBLTOUEHB-UONOGXRCSA-N 2 0 240.391 1.877 20 0 BDADRP c1[nH+]cn2cc(C[NH2+]CCC[C@H]3CCO3)ccc12 ZINC000639257648 355303565 /nfs/dbraw/zinc/30/35/65/355303565.db2.gz XHSUFVLNCIWHFN-AWEZNQCLSA-N 2 0 245.326 1.993 20 0 BDADRP CC(C)[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)C(C)(C)O ZINC000583510574 355347345 /nfs/dbraw/zinc/34/73/45/355347345.db2.gz VXEUPJAWFLEDCN-UTUOFQBUSA-N 2 0 228.380 1.641 20 0 BDADRP CO[C@H](C)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000191205414 355347582 /nfs/dbraw/zinc/34/75/82/355347582.db2.gz SPEJUXBDBMSOIX-WRWGMCAJSA-N 2 0 214.353 1.340 20 0 BDADRP C[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)C[C@H](C)S1 ZINC000084386047 355360878 /nfs/dbraw/zinc/36/08/78/355360878.db2.gz FKMNFEAFINMLJP-TUAOUCFPSA-N 2 0 228.405 1.812 20 0 BDADRP Cc1n[nH]cc1CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000335813566 355501116 /nfs/dbraw/zinc/50/11/16/355501116.db2.gz COFCXCFGRHBLIV-PBWFPOADSA-N 2 0 248.374 1.775 20 0 BDADRP CC(C)[C@](C)(O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252703094 535285629 /nfs/dbraw/zinc/28/56/29/535285629.db2.gz GJKWZWNUHFLVLG-MELADBBJSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@@H](C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)Cc1ccccc1 ZINC000415031263 191657588 /nfs/dbraw/zinc/65/75/88/191657588.db2.gz GCIPPCQVBPPJOS-RZFFKMDDSA-N 2 0 230.355 1.673 20 0 BDADRP C[C@]1(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CC[NH2+]C1 ZINC000415018127 191653381 /nfs/dbraw/zinc/65/33/81/191653381.db2.gz BKANNHBJYGOCMT-IHRRRGAJSA-N 3 0 239.407 1.341 20 0 BDADRP COc1cccc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)c1 ZINC000415051402 191653735 /nfs/dbraw/zinc/65/37/35/191653735.db2.gz ZKKZLJWROVRADV-AAEUAGOBSA-N 2 0 234.343 1.912 20 0 BDADRP CC(C)[C@H]1C[C@H]([NH2+]CC2([NH3+])CCC2)CCO1 ZINC000414880344 191613841 /nfs/dbraw/zinc/61/38/41/191613841.db2.gz QNKGZEJJGXUNHS-VXGBXAGGSA-N 2 0 226.364 1.661 20 0 BDADRP Cc1nn(C(C)C)cc1C[NH2+][C@H](C)CCC[NH3+] ZINC000415025927 191656582 /nfs/dbraw/zinc/65/65/82/191656582.db2.gz SBIADRVZKPVTBF-LLVKDONJSA-N 2 0 238.379 1.989 20 0 BDADRP C[C@@H](CC[NH3+])NC(=O)[C@H](c1ccccc1)N(C)C ZINC000349972521 355551229 /nfs/dbraw/zinc/55/12/29/355551229.db2.gz ZTFWADOLQTWLOT-AAEUAGOBSA-N 2 0 249.358 1.143 20 0 BDADRP C[C@@]1(C[NH2+]CC2CCOCC2)CC[NH2+]C1 ZINC000415097731 191678802 /nfs/dbraw/zinc/67/88/02/191678802.db2.gz DGNVZQSXEZQTNV-GFCCVEGCSA-N 2 0 212.337 1.002 20 0 BDADRP CC(C)CCC[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415030063 191657988 /nfs/dbraw/zinc/65/79/88/191657988.db2.gz BSDCSGFNZUQQOQ-GFCCVEGCSA-N 2 0 214.353 1.391 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@@H]1CC[NH2+]C1(C)C ZINC000415044624 191660429 /nfs/dbraw/zinc/66/04/29/191660429.db2.gz SMJLTUAJAXJSRD-WDEREUQCSA-N 2 0 213.369 1.090 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])[C@@H]1CCCOC1 ZINC000389098022 355659427 /nfs/dbraw/zinc/65/94/27/355659427.db2.gz RCEUSYZELPDDGD-REWJHTLYSA-N 2 0 240.391 1.909 20 0 BDADRP CO[C@H](C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)CC(C)C ZINC000639308097 355663183 /nfs/dbraw/zinc/66/31/83/355663183.db2.gz AHYZPNMFPJUNJU-MJBXVCDLSA-N 2 0 242.407 1.977 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCNC1)[C@H]1CCCOC1 ZINC000389142722 355730679 /nfs/dbraw/zinc/73/06/79/355730679.db2.gz YQSFNXBNEBBDNR-SDDRHHMPSA-N 2 0 212.337 1.143 20 0 BDADRP CO[C@@H](C[NH2+]C[C@@H]1CCCC[N@H+](C)C1)C1CC1 ZINC000639347745 355794703 /nfs/dbraw/zinc/79/47/03/355794703.db2.gz PIIUZNXOGJVXAO-JSGCOSHPSA-N 2 0 240.391 1.733 20 0 BDADRP CO[C@H](C[NH2+]C[C@@H]1CCCC[N@H+](C)C1)C1CC1 ZINC000639347744 355794933 /nfs/dbraw/zinc/79/49/33/355794933.db2.gz PIIUZNXOGJVXAO-GXTWGEPZSA-N 2 0 240.391 1.733 20 0 BDADRP COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000216022073 355796633 /nfs/dbraw/zinc/79/66/33/355796633.db2.gz DHDHXXOSFZCFAD-DGCLKSJQSA-N 2 0 234.343 1.864 20 0 BDADRP C/C=C/C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639352250 355801072 /nfs/dbraw/zinc/80/10/72/355801072.db2.gz FPGDKXNPRHDRHQ-SNAWJCMRSA-N 2 0 226.364 1.387 20 0 BDADRP CO[C@@H]1CC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000351331653 355980021 /nfs/dbraw/zinc/98/00/21/355980021.db2.gz RUVLSNBPZLYNGZ-QWHCGFSZSA-N 2 0 226.364 1.582 20 0 BDADRP CCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000167322975 355991101 /nfs/dbraw/zinc/99/11/01/355991101.db2.gz LHQXKQGUUUQKFD-NWDGAFQWSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000584349929 356061684 /nfs/dbraw/zinc/06/16/84/356061684.db2.gz BKEUAAKPPFVNIW-CABZTGNLSA-N 2 0 233.315 1.082 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCN(C)c2ccccc2)C1 ZINC000351863476 356100812 /nfs/dbraw/zinc/10/08/12/356100812.db2.gz UBWTYRIOBSURGO-KGLIPLIRSA-N 2 0 247.386 1.792 20 0 BDADRP C[NH+](C)CC1CC[NH+](Cc2cc[nH]c(=O)c2)CC1 ZINC000639452701 356233423 /nfs/dbraw/zinc/23/34/23/356233423.db2.gz DYGXKSCPZWZIDT-UHFFFAOYSA-N 2 0 249.358 1.561 20 0 BDADRP C[C@H](N)[C@@H]1CCCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420264981 192192068 /nfs/dbraw/zinc/19/20/68/192192068.db2.gz AWIHKZYPRFVPJH-IHRRRGAJSA-N 2 0 239.407 1.578 20 0 BDADRP CCOCC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420320350 192195102 /nfs/dbraw/zinc/19/51/02/192195102.db2.gz BJHGMRXZQQZMKX-CHWSQXEVSA-N 2 0 226.364 1.344 20 0 BDADRP CCCN(CC[C@@H]1CCC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000420297276 192204729 /nfs/dbraw/zinc/20/47/29/192204729.db2.gz RFCOSJNOUSOPGC-KBPBESRZSA-N 2 0 239.407 1.450 20 0 BDADRP CCN(C)C(=O)CC[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000420295995 192204898 /nfs/dbraw/zinc/20/48/98/192204898.db2.gz WKKMNHIGVYEGDG-GFCCVEGCSA-N 2 0 243.395 1.160 20 0 BDADRP c1cc(CCC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)ccn1 ZINC000420318562 192195639 /nfs/dbraw/zinc/19/56/39/192195639.db2.gz QHHHXJYWMQORIA-LSDHHAIUSA-N 2 0 245.370 1.698 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420284902 192199480 /nfs/dbraw/zinc/19/94/80/192199480.db2.gz DBQHRHWNAQKCHL-QWHCGFSZSA-N 3 0 239.407 1.435 20 0 BDADRP CC[N@H+](CCN[C@@H]1CCC[C@@H]1[NH3+])C(C)C ZINC000422880130 192495330 /nfs/dbraw/zinc/49/53/30/192495330.db2.gz NIBGESIXTAVSLI-NWDGAFQWSA-N 2 0 213.369 1.186 20 0 BDADRP C[C@@](CN)([NH2+]CC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000420282701 192199594 /nfs/dbraw/zinc/19/95/94/192199594.db2.gz BDVGCFPOLCVJQX-YPMHNXCESA-N 2 0 225.380 1.093 20 0 BDADRP CC[NH2+]CC1CC[NH+](Cc2ccnc(N)c2)CC1 ZINC000420288072 192200683 /nfs/dbraw/zinc/20/06/83/192200683.db2.gz IPMLTJYSZMIPTQ-UHFFFAOYSA-N 2 0 248.374 1.316 20 0 BDADRP CC[N@H+](CC[C@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]CC1 ZINC000420302709 192207159 /nfs/dbraw/zinc/20/71/59/192207159.db2.gz BVRJOYYUDDIPPR-KGLIPLIRSA-N 3 0 239.407 1.450 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC000420314642 192213222 /nfs/dbraw/zinc/21/32/22/192213222.db2.gz VZJKYLMENZVUMB-XQQFMLRXSA-N 2 0 226.364 1.615 20 0 BDADRP COC(=O)CCC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000420337991 192215644 /nfs/dbraw/zinc/21/56/44/192215644.db2.gz NHOLMSFRSMFGKC-UHFFFAOYSA-N 2 0 240.347 1.015 20 0 BDADRP C[C@H]1CCN(CCOCC2CC2)[C@@H](C[NH3+])C1 ZINC000420339636 192215684 /nfs/dbraw/zinc/21/56/84/192215684.db2.gz ONSWIQSLOGOWQK-WCQYABFASA-N 2 0 226.364 1.472 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCCc2ccncc2)C1 ZINC000420305512 192209480 /nfs/dbraw/zinc/20/94/80/192209480.db2.gz KKEZKQSIEJNQDL-TZMCWYRMSA-N 2 0 233.359 1.683 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@H](CN)C1CC1 ZINC000420312871 192210037 /nfs/dbraw/zinc/21/00/37/192210037.db2.gz IUWDNXLDHXPAAH-WCQYABFASA-N 2 0 225.380 1.045 20 0 BDADRP C[C@H]1C[NH2+]CCN1CCC[NH+]1CCCCC1 ZINC000420312014 192210939 /nfs/dbraw/zinc/21/09/39/192210939.db2.gz HNRJSLDUEAVGAV-ZDUSSCGKSA-N 2 0 225.380 1.156 20 0 BDADRP COC[C@H]1CCCC[N@H+](C[C@H](C)N)C1 ZINC000420368303 192226253 /nfs/dbraw/zinc/22/62/53/192226253.db2.gz HZRANFRFSVIBJV-QWRGUYRKSA-N 2 0 200.326 1.082 20 0 BDADRP C[C@H]([NH3+])CN1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000420367849 192226446 /nfs/dbraw/zinc/22/64/46/192226446.db2.gz WILSLBUBBMCORJ-GXSJLCMTSA-N 2 0 249.362 1.209 20 0 BDADRP CC(C)[C@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000420370114 192228364 /nfs/dbraw/zinc/22/83/64/192228364.db2.gz YLWFBXLAKBPDSI-CHWSQXEVSA-N 2 0 226.364 1.343 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420324882 192228818 /nfs/dbraw/zinc/22/88/18/192228818.db2.gz VPDJHLRXZHCAOU-KBPBESRZSA-N 3 0 239.407 1.260 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)[C@H](CN)C1 ZINC000420325897 192229190 /nfs/dbraw/zinc/22/91/90/192229190.db2.gz CACOYJMNMHDHDQ-MCIONIFRSA-N 2 0 239.407 1.435 20 0 BDADRP C[C@H]1CC[N@H+](CCC2CC[NH2+]CC2)[C@@H](CN)C1 ZINC000420324553 192229575 /nfs/dbraw/zinc/22/95/75/192229575.db2.gz ATYDFJYKJIFIDX-GXTWGEPZSA-N 2 0 239.407 1.435 20 0 BDADRP CC[C@H](c1ccccc1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420357688 192219050 /nfs/dbraw/zinc/21/90/50/192219050.db2.gz SLLCRVMFVPKMCD-CHWSQXEVSA-N 2 0 222.332 1.389 20 0 BDADRP [NH3+]CCOCC[N@H+](Cc1ccccn1)C1CC1 ZINC000420355282 192220794 /nfs/dbraw/zinc/22/07/94/192220794.db2.gz FDSARFZEKAHECB-UHFFFAOYSA-N 2 0 235.331 1.021 20 0 BDADRP C[C@@H]1CCN[C@@H](C)[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000420365351 192223618 /nfs/dbraw/zinc/22/36/18/192223618.db2.gz LAUGORMZBJQBEE-DYEKYZERSA-N 2 0 239.407 1.352 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)[C@@H](C)CN1 ZINC000420387049 192234774 /nfs/dbraw/zinc/23/47/74/192234774.db2.gz GGIHWRJLAWNBPY-FRRDWIJNSA-N 2 0 225.380 1.058 20 0 BDADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CCCF)CC1 ZINC000420388578 192234890 /nfs/dbraw/zinc/23/48/90/192234890.db2.gz XCVLYZXWGUNUAO-QWHCGFSZSA-N 2 0 244.354 1.564 20 0 BDADRP C[C@H]([NH3+])CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000420383701 192235286 /nfs/dbraw/zinc/23/52/86/192235286.db2.gz ZWBWSHZWZBUKBO-OBJOEFQTSA-N 2 0 237.391 1.282 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)[C@@H](C)CN1 ZINC000420387048 192235612 /nfs/dbraw/zinc/23/56/12/192235612.db2.gz GGIHWRJLAWNBPY-AGIUHOORSA-N 2 0 225.380 1.058 20 0 BDADRP C[NH2+]CCCN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420393807 192236536 /nfs/dbraw/zinc/23/65/36/192236536.db2.gz KACTVROZYLNKLE-OLZOCXBDSA-N 2 0 225.380 1.060 20 0 BDADRP C([C@@H]1CCOC1)[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420403819 192237822 /nfs/dbraw/zinc/23/78/22/192237822.db2.gz RTPUXROBIJWNCF-BFHYXJOUSA-N 2 0 238.375 1.487 20 0 BDADRP [NH3+]CC1(O)CC[NH+](CCCC2CCCC2)CC1 ZINC000420402419 192238391 /nfs/dbraw/zinc/23/83/91/192238391.db2.gz IRWKTUVSXNPLET-UHFFFAOYSA-N 2 0 240.391 1.742 20 0 BDADRP FCCC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420409947 192239501 /nfs/dbraw/zinc/23/95/01/192239501.db2.gz XRTGPZVEICGTFY-NEPJUHHUSA-N 2 0 214.328 1.810 20 0 BDADRP [NH3+]CCC[NH2+][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000420416813 192240291 /nfs/dbraw/zinc/24/02/91/192240291.db2.gz VXOFAYZGIGQBRG-UONOGXRCSA-N 2 0 234.343 1.703 20 0 BDADRP C[C@@H]1CC[N@H+](CCCc2ccncc2)C[C@@H]1C[NH3+] ZINC000420421839 192241691 /nfs/dbraw/zinc/24/16/91/192241691.db2.gz YVMMEHNWAAZXJB-HIFRSBDPSA-N 2 0 247.386 1.931 20 0 BDADRP C[C@H]1CC[N@H+](CCCc2ccncc2)C[C@@H]1C[NH3+] ZINC000420421843 192242083 /nfs/dbraw/zinc/24/20/83/192242083.db2.gz YVMMEHNWAAZXJB-ZFWWWQNUSA-N 2 0 247.386 1.931 20 0 BDADRP CC[C@@H]1CN(CC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000420375498 192231162 /nfs/dbraw/zinc/23/11/62/192231162.db2.gz POEGXPJWKZYGDC-OAHLLOKOSA-N 2 0 247.386 1.542 20 0 BDADRP C[C@H]([NH2+]CCOCC[NH3+])c1ccc(Cl)cc1 ZINC000420375273 192231357 /nfs/dbraw/zinc/23/13/57/192231357.db2.gz PCBBEIKTAXLBBW-JTQLQIEISA-N 2 0 242.750 1.966 20 0 BDADRP C[NH+](C)[C@H]1CCC[N@H+](Cc2cc[nH]c(=O)c2)CC1 ZINC000639612816 356536963 /nfs/dbraw/zinc/53/69/63/356536963.db2.gz NNBDIXPDVAXQTP-ZDUSSCGKSA-N 2 0 249.358 1.703 20 0 BDADRP C[C@H]([NH2+]CCN1CCCC1(C)C)[C@@H]1CCOC1 ZINC000449781620 202034196 /nfs/dbraw/zinc/03/41/96/202034196.db2.gz IXPUPUINWFKMND-QWHCGFSZSA-N 2 0 240.391 1.875 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@H](C(C)C)[C@@H](C)[NH3+] ZINC000422899947 192513309 /nfs/dbraw/zinc/51/33/09/192513309.db2.gz INZKNYQZDDFTNG-IJLUTSLNSA-N 2 0 243.395 1.240 20 0 BDADRP Cc1ccsc1[C@H](CO)[NH2+][C@H](C)CCC[NH3+] ZINC000422985766 192518948 /nfs/dbraw/zinc/51/89/48/192518948.db2.gz AGHXLRPXTORIRH-MNOVXSKESA-N 2 0 242.388 1.807 20 0 BDADRP CC(C)[C@H](CN[C@@H](C)C1C[NH2+]C1)[NH+]1CCCC1 ZINC000422962327 192526236 /nfs/dbraw/zinc/52/62/36/192526236.db2.gz FINZNUBNNFXQMI-JSGCOSHPSA-N 2 0 239.407 1.304 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCOC(F)(F)F ZINC000423067916 192557870 /nfs/dbraw/zinc/55/78/70/192557870.db2.gz ISWUYWOLHPJKOT-BDAKNGLRSA-N 2 0 240.269 1.501 20 0 BDADRP Clc1ccccc1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000088287691 356657062 /nfs/dbraw/zinc/65/70/62/356657062.db2.gz ZRTAULQKENWCNE-VXGBXAGGSA-N 2 0 236.746 1.991 20 0 BDADRP CCc1cc(NC[C@H](C2CC2)[NH+](C)C)cc[nH+]1 ZINC000450311067 202125630 /nfs/dbraw/zinc/12/56/30/202125630.db2.gz GNONKFCMTSGZBZ-CQSZACIVSA-N 2 0 233.359 1.818 20 0 BDADRP CC[C@@H](C[N@@H+]1CCC2(C1)CC[NH+](C)CC2)OC ZINC000639755885 356660044 /nfs/dbraw/zinc/66/00/44/356660044.db2.gz QFTQPJKCMMHDOZ-ZDUSSCGKSA-N 2 0 240.391 1.829 20 0 BDADRP C[NH+]1CCC2(CC[N@H+](C[C@H]3CCOC3)C2)CC1 ZINC000639758883 356670289 /nfs/dbraw/zinc/67/02/89/356670289.db2.gz YKDPMGSLFPIWSZ-CYBMUJFWSA-N 2 0 238.375 1.441 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000423131420 192580469 /nfs/dbraw/zinc/58/04/69/192580469.db2.gz SVMGAPUCXBKICZ-QNWHQSFQSA-N 2 0 228.380 1.501 20 0 BDADRP CCc1cc(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)cc[nH+]1 ZINC000450391272 202152161 /nfs/dbraw/zinc/15/21/61/202152161.db2.gz QTFJYCPHRYVKFM-KBPBESRZSA-N 2 0 247.342 1.163 20 0 BDADRP C[NH+](C)[C@H]1CCCN(CCC[NH2+]C2CC2)C1 ZINC000084419522 538532587 /nfs/dbraw/zinc/53/25/87/538532587.db2.gz WPPDTDVKLVBLOK-ZDUSSCGKSA-N 2 0 225.380 1.155 20 0 BDADRP CCC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000450402267 202156438 /nfs/dbraw/zinc/15/64/38/202156438.db2.gz KQJNNGFGAXAYCL-NWDGAFQWSA-N 2 0 214.353 1.031 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCOC2)CC1(C)C ZINC000623356315 356792416 /nfs/dbraw/zinc/79/24/16/356792416.db2.gz IJILCYJZVKTMAS-NWDGAFQWSA-N 2 0 226.364 1.485 20 0 BDADRP CCOCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623361121 356807403 /nfs/dbraw/zinc/80/74/03/356807403.db2.gz OCRANHDHEUOCHC-LLVKDONJSA-N 2 0 214.353 1.485 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+]CCn2cccn2)CC1(C)C ZINC000623371794 356881006 /nfs/dbraw/zinc/88/10/06/356881006.db2.gz SVSYVEHLCXEKGL-GFCCVEGCSA-N 2 0 236.363 1.346 20 0 BDADRP CC[C@H](O)[C@H](CC)[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423168215 192604524 /nfs/dbraw/zinc/60/45/24/192604524.db2.gz XRNAWZRCIIRLIA-VLEAKVRGSA-N 2 0 202.342 1.251 20 0 BDADRP CCC[C@@H]([NH2+]CCC[NH3+])c1cccnc1 ZINC000423181082 192612679 /nfs/dbraw/zinc/61/26/79/192612679.db2.gz FIRIZCPTPNZKMK-GFCCVEGCSA-N 2 0 207.321 1.861 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000423195062 192621123 /nfs/dbraw/zinc/62/11/23/192621123.db2.gz XJPNZSYTQDVHGV-HBNTYKKESA-N 2 0 208.305 1.853 20 0 BDADRP C[C@@H]1C[C@H]1CN(CC[NH+](C)C)CC[NH+](C)C ZINC000582268192 356986702 /nfs/dbraw/zinc/98/67/02/356986702.db2.gz CEVQIRMRPKYMNQ-OLZOCXBDSA-N 2 0 227.396 1.068 20 0 BDADRP C[NH2+]CCC[NH2+]C1CCC(COC)CC1 ZINC000423198716 192623263 /nfs/dbraw/zinc/62/32/63/192623263.db2.gz HLHLCFHJSVJVAF-UHFFFAOYSA-N 2 0 214.353 1.391 20 0 BDADRP COCC1(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000656200540 538784381 /nfs/dbraw/zinc/78/43/81/538784381.db2.gz ORRRXNMIHKYEQZ-NEPJUHHUSA-N 2 0 226.364 1.391 20 0 BDADRP COCC1(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000656200522 538784598 /nfs/dbraw/zinc/78/45/98/538784598.db2.gz OJRSSFDGSIYNEJ-GHMZBOCLSA-N 2 0 212.337 1.143 20 0 BDADRP [NH3+]CCCOC1CC[NH+](CC2(F)CC2)CC1 ZINC000582420745 357143926 /nfs/dbraw/zinc/14/39/26/357143926.db2.gz HMXRGJKURLRZBV-UHFFFAOYSA-N 2 0 230.327 1.318 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)C1CCOCC1 ZINC000423261881 192657061 /nfs/dbraw/zinc/65/70/61/192657061.db2.gz TTXZPRGONUEAHS-STQMWFEESA-N 2 0 240.391 1.781 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCCc2nccs2)C1 ZINC000391185251 357125188 /nfs/dbraw/zinc/12/51/88/357125188.db2.gz VWDWVHPODIWASR-GHMZBOCLSA-N 2 0 239.388 1.935 20 0 BDADRP C[NH+](C)CCCCC(=O)NCC(C)(C)[NH+](C)C ZINC000582448556 357197801 /nfs/dbraw/zinc/19/78/01/357197801.db2.gz LSXMUYVKPMTEMZ-UHFFFAOYSA-N 2 0 243.395 1.175 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCC1(C)C ZINC000393754659 357296046 /nfs/dbraw/zinc/29/60/46/357296046.db2.gz VTJNWKAZWFGUGZ-VXGBXAGGSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2CCCC[C@@H]2O)C[C@@H]1C[NH3+] ZINC000393358736 357307944 /nfs/dbraw/zinc/30/79/44/357307944.db2.gz RNTPFJANOVWFOQ-RFGFWPKPSA-N 2 0 240.391 1.454 20 0 BDADRP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C)C[NH3+])CC2 ZINC000423297147 192686295 /nfs/dbraw/zinc/68/62/95/192686295.db2.gz IYSDTCSNJZVZMQ-HZMBPMFUSA-N 2 0 234.343 1.867 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000394034326 357316096 /nfs/dbraw/zinc/31/60/96/357316096.db2.gz FTOHIZXBCRVECE-SDDRHHMPSA-N 2 0 214.353 1.110 20 0 BDADRP CCC[NH2+]CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000423295478 192685780 /nfs/dbraw/zinc/68/57/80/192685780.db2.gz APZIECAJNBAJQV-QWHCGFSZSA-N 2 0 225.380 1.202 20 0 BDADRP CCCC[C@@H](C[NH3+])N[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423299725 192689353 /nfs/dbraw/zinc/68/93/53/192689353.db2.gz QNUKOQQPPMUKEG-FRRDWIJNSA-N 2 0 227.396 1.624 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCOC2)CC1(C)C ZINC000623408244 357404863 /nfs/dbraw/zinc/40/48/63/357404863.db2.gz OGXRKNXGAWXMSC-NWDGAFQWSA-N 2 0 226.364 1.628 20 0 BDADRP Cc1cnccc1CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000582857290 357421714 /nfs/dbraw/zinc/42/17/14/357421714.db2.gz ZOZMJAVBSPEBLT-KGLIPLIRSA-N 2 0 233.359 1.792 20 0 BDADRP COC[C@H](C)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397313917 357512407 /nfs/dbraw/zinc/51/24/07/357512407.db2.gz PXOQJIWPRWXAPD-XQHKEYJVSA-N 2 0 228.380 1.574 20 0 BDADRP CCN(CCC[NH+](C)C)C(=O)[C@@H](C[NH3+])C(C)C ZINC000230705442 357572655 /nfs/dbraw/zinc/57/26/55/357572655.db2.gz LMUIVBVDXZCUPK-LBPRGKRZSA-N 2 0 243.395 1.018 20 0 BDADRP CCN(CCC[NH+](C)C)C(=O)[C@H]([NH3+])C(C)(C)C ZINC000230710740 357573041 /nfs/dbraw/zinc/57/30/41/357573041.db2.gz JAALGCYIFDKHIA-NSHDSACASA-N 2 0 243.395 1.160 20 0 BDADRP [NH3+]C[C@H]1CCCN(CCC[NH+]2CCCCC2)C1 ZINC000583203751 357519424 /nfs/dbraw/zinc/51/94/24/357519424.db2.gz JUAJUNHZEPPPCU-CQSZACIVSA-N 2 0 239.407 1.533 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000230393048 357533546 /nfs/dbraw/zinc/53/35/46/357533546.db2.gz UKPHICGTHVZULN-CYBMUJFWSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCc2cscn2)CC[N@@H+]1C ZINC000158882235 538869663 /nfs/dbraw/zinc/86/96/63/538869663.db2.gz CUMQIWGKGCUHRH-WDEREUQCSA-N 2 0 239.388 1.758 20 0 BDADRP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H](C)CCC[NH3+])cc1 ZINC000583262490 357749865 /nfs/dbraw/zinc/74/98/65/357749865.db2.gz GMFUVGONXGDQDT-QWRGUYRKSA-N 2 0 249.358 1.564 20 0 BDADRP CC(C)[C@](C)(O)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623415192 357762782 /nfs/dbraw/zinc/76/27/82/357762782.db2.gz CGZQWRFJRGTXAW-GXTWGEPZSA-N 2 0 242.407 1.856 20 0 BDADRP CC[C@H](C)C[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000233991471 357765036 /nfs/dbraw/zinc/76/50/36/357765036.db2.gz LZYMXACGWXFVML-LBPRGKRZSA-N 2 0 228.380 1.638 20 0 BDADRP CC(C)[C@@H](CO)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000086121072 357854325 /nfs/dbraw/zinc/85/43/25/357854325.db2.gz IPUGTFRFASLTBW-CYBMUJFWSA-N 2 0 228.380 1.466 20 0 BDADRP CC[C@H](C)[C@@H](O)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623416862 357860390 /nfs/dbraw/zinc/86/03/90/357860390.db2.gz KDSANHGEKWJESO-AVGNSLFASA-N 2 0 242.407 1.856 20 0 BDADRP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000235302464 357864114 /nfs/dbraw/zinc/86/41/14/357864114.db2.gz VECMBENHEHKVRI-CHWSQXEVSA-N 2 0 242.407 1.979 20 0 BDADRP C[C@@]1(CO)CCC[N@@H+]1CCC[NH+]1CCCC1 ZINC000546104729 325265276 /nfs/dbraw/zinc/26/52/76/325265276.db2.gz NXBZETOBJSSQFV-ZDUSSCGKSA-N 2 0 226.364 1.319 20 0 BDADRP CC[N@H+](CCN[C@@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000217416326 357907259 /nfs/dbraw/zinc/90/72/59/357907259.db2.gz WKRKIFXPUPCWMC-VXGBXAGGSA-N 2 0 225.380 1.330 20 0 BDADRP CC[N@H+](CCN[C@@H]1CCCC[C@@H]1C[NH3+])C1CC1 ZINC000217482213 134246844 /nfs/dbraw/zinc/24/68/44/134246844.db2.gz FVYIOZKBMGZLHN-TZMCWYRMSA-N 3 0 239.407 1.578 20 0 BDADRP C[C@@H](CN[C@H]1CCC[NH2+]CC1)[N@H+](C)C1CC1 ZINC000217536554 134248166 /nfs/dbraw/zinc/24/81/66/134248166.db2.gz YUYHNMXRYUNXOX-RYUDHWBXSA-N 2 0 225.380 1.201 20 0 BDADRP CC[C@@H](O)C[NH+]1CCC(CC)([NH+](C)C)CC1 ZINC000640014969 358068312 /nfs/dbraw/zinc/06/83/12/358068312.db2.gz CADXDTIQYCJFSL-GFCCVEGCSA-N 2 0 228.380 1.564 20 0 BDADRP C[C@H](CCc1ccco1)[NH2+]CC[C@H](C)[NH3+] ZINC000584584750 358097644 /nfs/dbraw/zinc/09/76/44/358097644.db2.gz NZWSMUPFYZNLBE-WDEREUQCSA-N 2 0 210.321 1.928 20 0 BDADRP C[C@H]1CC[C@H](C[N@H+](C)C2CC[NH2+]CC2)O1 ZINC000232018122 491123774 /nfs/dbraw/zinc/12/37/74/491123774.db2.gz AJZYNOCKPXLSPA-CMPLNLGQSA-N 2 0 212.337 1.238 20 0 BDADRP CC(C)O[C@@H]1CC[N@H+](CCC[NH+]2CCCC2)C1 ZINC000584777555 358175759 /nfs/dbraw/zinc/17/57/59/358175759.db2.gz FOERFYBHLGDHSK-CQSZACIVSA-N 2 0 240.391 1.972 20 0 BDADRP C[C@H](CC[NH+](C)C)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000222986917 358216873 /nfs/dbraw/zinc/21/68/73/358216873.db2.gz FZHHCERJGNSKHU-UTUOFQBUSA-N 2 0 213.369 1.186 20 0 BDADRP C[C@H](CO)[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000450736279 202246987 /nfs/dbraw/zinc/24/69/87/202246987.db2.gz FCWLHOYLGMWJQY-WOPDTQHZSA-N 2 0 214.353 1.077 20 0 BDADRP CCCN(CC[NH+](C)C)C(=O)[C@@H]([NH3+])[C@@H](C)CC ZINC000041680266 358334081 /nfs/dbraw/zinc/33/40/81/358334081.db2.gz AGUCDMPVLSGBHT-RYUDHWBXSA-N 2 0 243.395 1.160 20 0 BDADRP CC(C)(C)NC(=O)CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000228334602 358374119 /nfs/dbraw/zinc/37/41/19/358374119.db2.gz PQNTXFRNHFLKMN-MNOVXSKESA-N 2 0 241.379 1.151 20 0 BDADRP C[C@H](O)CCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000227570020 358359464 /nfs/dbraw/zinc/35/94/64/358359464.db2.gz CHNCINJCUVGBMF-HBNTYKKESA-N 2 0 200.326 1.007 20 0 BDADRP C[N@H+](CCC[NH+]1CCCCC1)C1CCOCC1 ZINC000547738306 325390485 /nfs/dbraw/zinc/39/04/85/325390485.db2.gz AUDFTNZZIKVCDA-UHFFFAOYSA-N 2 0 240.391 1.973 20 0 BDADRP C[C@@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C[C@H](C)O ZINC000623427857 358435614 /nfs/dbraw/zinc/43/56/14/358435614.db2.gz PFJPPHJUBNDYFK-FRRDWIJNSA-N 2 0 242.407 1.856 20 0 BDADRP C[C@H](CO)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623427464 358436421 /nfs/dbraw/zinc/43/64/21/358436421.db2.gz AQOSHCUVERMWRB-GRYCIOLGSA-N 2 0 228.380 1.466 20 0 BDADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCCC1(C)C ZINC000219310060 134281252 /nfs/dbraw/zinc/28/12/52/134281252.db2.gz HKINSNSHZYJJJG-GFCCVEGCSA-N 2 0 228.380 1.733 20 0 BDADRP CCN1CCC([N@H+](C)C[C@@H](O)C(C)(C)C)CC1 ZINC000044172626 358546010 /nfs/dbraw/zinc/54/60/10/358546010.db2.gz LKZSINRHDJPLJA-CYBMUJFWSA-N 2 0 242.407 1.810 20 0 BDADRP CC[NH+]1CCC([NH2+]CCCC[NH+](C)C)CC1 ZINC000045662958 358564444 /nfs/dbraw/zinc/56/44/44/358564444.db2.gz ZRTLVJXOMNLHAA-UHFFFAOYSA-N 3 0 227.396 1.402 20 0 BDADRP C[C@H](CC[NH+](C)C)NC(=O)C1([NH3+])CCCCC1 ZINC000049559725 358694876 /nfs/dbraw/zinc/69/48/76/358694876.db2.gz ATEIJWSGEGNBFZ-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](O)C1 ZINC000049773528 358700376 /nfs/dbraw/zinc/70/03/76/358700376.db2.gz XTWZNTCZGIEMQK-STQMWFEESA-N 2 0 226.364 1.318 20 0 BDADRP COc1ccccc1CN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000219763230 134291061 /nfs/dbraw/zinc/29/10/61/134291061.db2.gz SLGGHJRVLNHHOF-WCQYABFASA-N 2 0 234.343 1.864 20 0 BDADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCn1cccn1 ZINC000133302328 358750514 /nfs/dbraw/zinc/75/05/14/358750514.db2.gz VYPSDHZSHSBOAV-LBPRGKRZSA-N 2 0 224.352 1.188 20 0 BDADRP C[C@@H](CC1CC1)[NH2+]C[C@H]1CN(C)CCN1C ZINC000133451003 358755172 /nfs/dbraw/zinc/75/51/72/358755172.db2.gz YWBIBZOOPRFTMB-AAEUAGOBSA-N 2 0 225.380 1.010 20 0 BDADRP CCC[C@H](O)C[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000133603101 358761161 /nfs/dbraw/zinc/76/11/61/358761161.db2.gz QCENCAPVWGGPMM-LOWVWBTDSA-N 2 0 226.364 1.362 20 0 BDADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](CO)C1 ZINC000051887363 358765685 /nfs/dbraw/zinc/76/56/85/358765685.db2.gz AFBUHSODFOFKFZ-STQMWFEESA-N 2 0 226.364 1.175 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000132247764 358714021 /nfs/dbraw/zinc/71/40/21/358714021.db2.gz NXRFOZHTJZBVFP-CHWSQXEVSA-N 2 0 228.380 1.875 20 0 BDADRP CCC[C@H](O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000050193441 358718506 /nfs/dbraw/zinc/71/85/06/358718506.db2.gz PPNGBKZPAZCTIQ-ZDUSSCGKSA-N 2 0 228.380 1.421 20 0 BDADRP C[NH2+][C@H]1CCCN(CCOCCC(C)C)C1 ZINC000053204615 358818082 /nfs/dbraw/zinc/81/80/82/358818082.db2.gz NUXIXKRHCDTJHR-ZDUSSCGKSA-N 2 0 228.380 1.733 20 0 BDADRP COc1cc(C[NH2+][C@@H](C)CC[NH3+])cc(OC)c1 ZINC000136136548 358864704 /nfs/dbraw/zinc/86/47/04/358864704.db2.gz IZYWQAXJLJUPEF-JTQLQIEISA-N 2 0 238.331 1.531 20 0 BDADRP CC[C@H](C)[NH2+]C[C@H](C)N1CC[NH+](CC)CC1 ZINC000053487601 358829672 /nfs/dbraw/zinc/82/96/72/358829672.db2.gz WXWPXTSNYOTVBL-STQMWFEESA-N 2 0 227.396 1.401 20 0 BDADRP C[NH2+]CCC[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000578324049 366512809 /nfs/dbraw/zinc/51/28/09/366512809.db2.gz HKNCSHDTFIEIPA-MNOVXSKESA-N 2 0 200.326 1.001 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000086404604 358968394 /nfs/dbraw/zinc/96/83/94/358968394.db2.gz GMCFDSANRSYLCC-AXFHLTTASA-N 2 0 200.326 1.007 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000086403883 358968576 /nfs/dbraw/zinc/96/85/76/358968576.db2.gz FAUSWNJMBSFIQZ-NEPJUHHUSA-N 3 0 213.369 1.188 20 0 BDADRP CC(C)[N@H+](CCOCC[NH3+])CC1CC1 ZINC000086435547 358976877 /nfs/dbraw/zinc/97/68/77/358976877.db2.gz PRUPCNKAJQMEQC-UHFFFAOYSA-N 2 0 200.326 1.082 20 0 BDADRP CC(C)CN(CC[NH+](C)C)C(=O)CC[C@H](C)[NH3+] ZINC000070316995 359049795 /nfs/dbraw/zinc/04/97/95/359049795.db2.gz GEQYZYDEGXPNQK-LBPRGKRZSA-N 2 0 243.395 1.160 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)CCO1 ZINC000069857083 359035035 /nfs/dbraw/zinc/03/50/35/359035035.db2.gz HVZPHMNXUALGHQ-RYUDHWBXSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)CCO1 ZINC000069890414 359035293 /nfs/dbraw/zinc/03/52/93/359035293.db2.gz DHHVQMZUOLPQRY-YPMHNXCESA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCC1([NH3+])CCC1 ZINC000423331444 192711631 /nfs/dbraw/zinc/71/16/31/192711631.db2.gz OKIORZILUMQIMR-GXTWGEPZSA-N 2 0 247.386 1.416 20 0 BDADRP CC[C@H](C)[C@@H](C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000248167616 359258134 /nfs/dbraw/zinc/25/81/34/359258134.db2.gz UBYXUGSHJIUPNN-BFHYXJOUSA-N 2 0 241.423 1.647 20 0 BDADRP C[N@H+](CC[C@H]1CCCC[NH+]1C)CC(C)(C)O ZINC000075861029 359230148 /nfs/dbraw/zinc/23/01/48/359230148.db2.gz ZCFHIGPKZPKTTO-GFCCVEGCSA-N 2 0 228.380 1.564 20 0 BDADRP C[N@@H+]1CCC[C@@H]2CN(Cc3cncnc3)CC[C@H]21 ZINC000247269876 359207665 /nfs/dbraw/zinc/20/76/65/359207665.db2.gz YBDSKYPXADLIPD-ZIAGYGMSSA-N 2 0 246.358 1.393 20 0 BDADRP CC(C)OCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248182664 359258110 /nfs/dbraw/zinc/25/81/10/359258110.db2.gz WRYCUMFPGAYTPL-KBPBESRZSA-N 2 0 240.391 1.828 20 0 BDADRP COCC1(C[NH2+][C@@H](C)C2(C)CC2)CC[NH2+]CC1 ZINC000423401714 192744551 /nfs/dbraw/zinc/74/45/51/192744551.db2.gz GSCVXJRTAMOTHZ-LBPRGKRZSA-N 2 0 240.391 1.781 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CC2(CO)CC2)CC1(C)C ZINC000623438109 359331417 /nfs/dbraw/zinc/33/14/17/359331417.db2.gz LTAOGERTLRGXEY-NSHDSACASA-N 2 0 226.364 1.221 20 0 BDADRP C[C@H](CCCO)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623444946 359338268 /nfs/dbraw/zinc/33/82/68/359338268.db2.gz XRBDBLGTIBIIKP-NEPJUHHUSA-N 2 0 228.380 1.610 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)C1CCOCC1 ZINC000423466711 192781486 /nfs/dbraw/zinc/78/14/86/192781486.db2.gz IURWKOMVQKGTLB-SCRDCRAPSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccn(C)n1 ZINC000423477563 192787845 /nfs/dbraw/zinc/78/78/45/192787845.db2.gz KAZCUCGWWUVCHS-RYUDHWBXSA-N 2 0 236.363 1.603 20 0 BDADRP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)C1CC1 ZINC000423498175 192795567 /nfs/dbraw/zinc/79/55/67/192795567.db2.gz BOTCXPBROAAOHJ-NWDGAFQWSA-N 2 0 212.337 1.143 20 0 BDADRP CC[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)CC ZINC000379540862 359540365 /nfs/dbraw/zinc/54/03/65/359540365.db2.gz PHPGTKSGXMCGDJ-MNOVXSKESA-N 2 0 202.342 1.029 20 0 BDADRP CCC[N@H+](CC)C[C@@H](O)CN(C)CC ZINC000379545402 359541504 /nfs/dbraw/zinc/54/15/04/359541504.db2.gz VYOGZGFIGLMDQE-NSHDSACASA-N 2 0 202.342 1.031 20 0 BDADRP CC[NH+]1CCC(CC[NH2+]C2CSC2)CC1 ZINC000309032808 491142961 /nfs/dbraw/zinc/14/29/61/491142961.db2.gz FZUZRNFTGWSKGS-UHFFFAOYSA-N 2 0 228.405 1.813 20 0 BDADRP CC1=CC[C@H]([NH2+]CCN2CC[C@H](O)C2)CC1 ZINC000628498277 359709171 /nfs/dbraw/zinc/70/91/71/359709171.db2.gz KGVRVYQGCBEORZ-STQMWFEESA-N 2 0 224.348 1.141 20 0 BDADRP CC(C)CCOCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000088329849 359947549 /nfs/dbraw/zinc/94/75/49/359947549.db2.gz NHPYDONJUXJJBP-CHWSQXEVSA-N 2 0 226.364 1.200 20 0 BDADRP C[NH+](C)C1CCC([NH2+]C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000578769439 366645163 /nfs/dbraw/zinc/64/51/63/366645163.db2.gz RKBDKIPBNWMELJ-RUXDESIVSA-N 3 0 239.407 1.448 20 0 BDADRP [NH3+]CCC1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000578776684 366647333 /nfs/dbraw/zinc/64/73/33/366647333.db2.gz KULUVYUAKRBVFZ-UHFFFAOYSA-N 3 0 225.380 1.047 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccccn1 ZINC000089139538 359991684 /nfs/dbraw/zinc/99/16/84/359991684.db2.gz QCQYJKVQQQKFPC-JSGCOSHPSA-N 2 0 233.359 1.731 20 0 BDADRP COc1ccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cn1 ZINC000089147921 359994151 /nfs/dbraw/zinc/99/41/51/359994151.db2.gz YHXJYBSFMYWIFK-NEPJUHHUSA-N 2 0 235.331 1.307 20 0 BDADRP CC(C)n1cncc1C[NH2+]CCCC[NH+](C)C ZINC000090208951 360065595 /nfs/dbraw/zinc/06/55/95/360065595.db2.gz BGHHHXXDBYWURY-UHFFFAOYSA-N 2 0 238.379 1.895 20 0 BDADRP CC(C)(C)OCCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000309366222 491147557 /nfs/dbraw/zinc/14/75/57/491147557.db2.gz POBKRDLJVIOTRS-VXGBXAGGSA-N 2 0 226.364 1.343 20 0 BDADRP C[NH+](C)CCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000093451085 360244387 /nfs/dbraw/zinc/24/43/87/360244387.db2.gz YOGFCDWFMPLNAP-MCIONIFRSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]CCCn1ccnc1 ZINC000093462943 360245400 /nfs/dbraw/zinc/24/54/00/360245400.db2.gz QUUWFZNILAUGIS-STQMWFEESA-N 2 0 236.363 1.393 20 0 BDADRP C[C@H]1CCC[C@@H](C[N@H+](C)CCOCC[NH3+])C1 ZINC000381036286 360536605 /nfs/dbraw/zinc/53/66/05/360536605.db2.gz FHNTUEZNTUHSHG-QWHCGFSZSA-N 2 0 228.380 1.720 20 0 BDADRP COC[C@@H]([NH2+]CCC[NH3+])c1cccc(Cl)c1 ZINC000149602598 360620528 /nfs/dbraw/zinc/62/05/28/360620528.db2.gz YTLWXNDPTCOTTQ-GFCCVEGCSA-N 2 0 242.750 1.966 20 0 BDADRP C[NH2+][C@@H]1CCCN(CC[NH2+]C(C)(C)C)C1 ZINC000414671745 219881658 /nfs/dbraw/zinc/88/16/58/219881658.db2.gz MWWNFPMSFMURSG-LLVKDONJSA-N 2 0 213.369 1.058 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000629404851 361055156 /nfs/dbraw/zinc/05/51/56/361055156.db2.gz RNDSNWZLZCOZIQ-FRRDWIJNSA-N 2 0 228.380 1.637 20 0 BDADRP C[C@@H]1CCC[C@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629387552 361038652 /nfs/dbraw/zinc/03/86/52/361038652.db2.gz IXEKYKFVTOFJRT-GHMZBOCLSA-N 2 0 212.337 1.273 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000629391978 361041412 /nfs/dbraw/zinc/04/14/12/361041412.db2.gz GVYYXXGXGYLJSQ-NWDGAFQWSA-N 2 0 214.353 1.391 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000629392783 361041949 /nfs/dbraw/zinc/04/19/49/361041949.db2.gz SZHWXHRUEYFSAA-OAHLLOKOSA-N 2 0 248.370 1.370 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)CC1CCOCC1 ZINC000629390615 361044142 /nfs/dbraw/zinc/04/41/42/361044142.db2.gz VAPOENUXYIOUAR-FPMFFAJLSA-N 2 0 240.391 1.922 20 0 BDADRP C[NH2+]CCOCC[NH2+]C1CCC(C)CC1 ZINC000629391787 361045504 /nfs/dbraw/zinc/04/55/04/361045504.db2.gz DMPFJOXIQNDXGQ-UHFFFAOYSA-N 2 0 214.353 1.391 20 0 BDADRP Cc1ccc(F)cc1C[NH2+]CCOCCC[NH3+] ZINC000629399187 361046508 /nfs/dbraw/zinc/04/65/08/361046508.db2.gz NTVIGAAIEARIPZ-UHFFFAOYSA-N 2 0 240.322 1.589 20 0 BDADRP C[C@@H]1CCC[C@H]([NH2+]CCOCCC[NH3+])[C@H]1C ZINC000629399087 361046633 /nfs/dbraw/zinc/04/66/33/361046633.db2.gz CMSYVHVWTCMFED-AGIUHOORSA-N 2 0 228.380 1.766 20 0 BDADRP C[C@H](CC1CCOCC1)[NH2+]CCOCCC[NH3+] ZINC000629399016 361046688 /nfs/dbraw/zinc/04/66/88/361046688.db2.gz AJCFEZUYMNWQMB-GFCCVEGCSA-N 2 0 244.379 1.147 20 0 BDADRP CC(C)CC[C@H](C)[NH2+]CCOCCC[NH3+] ZINC000629397898 361047614 /nfs/dbraw/zinc/04/76/14/361047614.db2.gz GDWQMWFATPHVBZ-LBPRGKRZSA-N 2 0 216.369 1.766 20 0 BDADRP CCc1ccc(C[NH2+]CCOCCC[NH3+])cc1 ZINC000629397802 361047928 /nfs/dbraw/zinc/04/79/28/361047928.db2.gz CUHHIIMINRJNRX-UHFFFAOYSA-N 2 0 236.359 1.704 20 0 BDADRP COc1ccccc1C[NH2+]CCOCCC[NH3+] ZINC000629398473 361048609 /nfs/dbraw/zinc/04/86/09/361048609.db2.gz UEJIQZQUWXBRPW-UHFFFAOYSA-N 2 0 238.331 1.150 20 0 BDADRP C[C@H](CCc1ccco1)[NH2+]CCOCCC[NH3+] ZINC000629398591 361048996 /nfs/dbraw/zinc/04/89/96/361048996.db2.gz VMJBJWKFBSDRIU-GFCCVEGCSA-N 2 0 240.347 1.556 20 0 BDADRP C[C@H]1CC[C@@H]([NH2+]CCOCCC[NH3+])C1 ZINC000629398166 361049132 /nfs/dbraw/zinc/04/91/32/361049132.db2.gz NUFNVZODTHUBGR-WDEREUQCSA-N 2 0 200.326 1.130 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000629404127 361050232 /nfs/dbraw/zinc/05/02/32/361050232.db2.gz KALIBZZBMZGTPC-UONOGXRCSA-N 2 0 240.391 1.781 20 0 BDADRP CC[C@H]1CCC[C@@H]([NH2+]CCOCCC[NH3+])C1 ZINC000629399276 361050444 /nfs/dbraw/zinc/05/04/44/361050444.db2.gz FFOAMLYQVIMBLD-QWHCGFSZSA-N 2 0 228.380 1.910 20 0 BDADRP [NH3+]CCCOCC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000629399662 361050986 /nfs/dbraw/zinc/05/09/86/361050986.db2.gz JRLBDRGAKZWZOK-ZIAGYGMSSA-N 2 0 240.391 1.910 20 0 BDADRP CN(C)c1cccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000423017017 200855561 /nfs/dbraw/zinc/85/55/61/200855561.db2.gz VGHXZAWHLRIZJO-DGCLKSJQSA-N 2 0 248.374 1.365 20 0 BDADRP CCC[NH+]1CCC(N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000414931199 219884055 /nfs/dbraw/zinc/88/40/55/219884055.db2.gz PRXYZYCYJFCJNG-GXTWGEPZSA-N 2 0 239.407 1.448 20 0 BDADRP CCO[C@H](C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1)C1CC1 ZINC000629521538 361117737 /nfs/dbraw/zinc/11/77/37/361117737.db2.gz UNWBEGUBEMZCSA-CYZMBNFOSA-N 2 0 226.364 1.471 20 0 BDADRP CCC(C)(C)[C@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629519025 361119253 /nfs/dbraw/zinc/11/92/53/361119253.db2.gz DRTYNHRDKUANNB-NSHDSACASA-N 2 0 228.380 1.909 20 0 BDADRP Cc1ccc(CCC[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cn1 ZINC000414946348 219884803 /nfs/dbraw/zinc/88/48/03/219884803.db2.gz TVKDOWBRXDIPJN-WFASDCNBSA-N 2 0 247.386 1.910 20 0 BDADRP CCO[C@H](C[NH+]1CCC([NH3+])CC1)C1CC1 ZINC000629510792 361108847 /nfs/dbraw/zinc/10/88/47/361108847.db2.gz UHDCEFSCQJUXSM-GFCCVEGCSA-N 2 0 212.337 1.225 20 0 BDADRP CCO[C@H](C[NH2+][C@](C)(C[NH3+])C(C)C)C1CC1 ZINC000629516013 361110356 /nfs/dbraw/zinc/11/03/56/361110356.db2.gz YZQPSZSZBAGEIP-CHWSQXEVSA-N 2 0 228.380 1.765 20 0 BDADRP CCO[C@@H](C[NH+]1CCC([C@H](C)[NH3+])CC1)C1CC1 ZINC000629514369 361111702 /nfs/dbraw/zinc/11/17/02/361111702.db2.gz XWLDLIAMZUDUNI-FZMZJTMJSA-N 2 0 240.391 1.861 20 0 BDADRP CC[C@H]1CN(Cc2cccnc2N)CC[C@@H]1[NH3+] ZINC000629527741 361133895 /nfs/dbraw/zinc/13/38/95/361133895.db2.gz DMIOGUYHPYTSIX-JQWIXIFHSA-N 2 0 234.347 1.223 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1NC1CC[NH+](C2CC2)CC1 ZINC000629528062 361135398 /nfs/dbraw/zinc/13/53/98/361135398.db2.gz OBDYYANAMJLLQK-UONOGXRCSA-N 2 0 237.391 1.343 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000629528079 361135453 /nfs/dbraw/zinc/13/54/53/361135453.db2.gz OQUGYRVHOWRNJT-BARDWOONSA-N 2 0 245.370 1.861 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCC[C@@H]1CCOC ZINC000629528460 361136218 /nfs/dbraw/zinc/13/62/18/361136218.db2.gz ZPIQQDHNXRCKAF-ZOBORPQBSA-N 2 0 240.391 1.922 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H](C)C1CCCCC1 ZINC000629529107 361138112 /nfs/dbraw/zinc/13/81/12/361138112.db2.gz RUAPQKCFDGWTOY-LBPRGKRZSA-N 2 0 228.380 1.781 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H](C)c1cccs1 ZINC000629529191 361138834 /nfs/dbraw/zinc/13/88/34/361138834.db2.gz UWBQBNGTJCEWDM-SNVBAGLBSA-N 2 0 228.361 1.635 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+]CCOCC[NH2+]C)C1(C)C ZINC000629529903 361140582 /nfs/dbraw/zinc/14/05/82/361140582.db2.gz QEZZHPFZLDFBFC-NEPJUHHUSA-N 2 0 244.379 1.016 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000629530648 361145878 /nfs/dbraw/zinc/14/58/78/361145878.db2.gz MLNLQYDYJYRFIK-LLVKDONJSA-N 2 0 240.347 1.783 20 0 BDADRP CC(C)CC[C@H](CO)[NH2+]C1CCC(C[NH3+])CC1 ZINC000629524010 361121982 /nfs/dbraw/zinc/12/19/82/361121982.db2.gz PNOHBVIDLVUGLB-JXQTWKCFSA-N 2 0 242.407 1.891 20 0 BDADRP CC[C@@H](C)[C@@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629523230 361124665 /nfs/dbraw/zinc/12/46/65/361124665.db2.gz CBUPHIWQHYTWFR-GHMZBOCLSA-N 2 0 214.353 1.519 20 0 BDADRP [NH3+]C1(C[NH2+][C@@H]2CCc3ccccc32)CCOCC1 ZINC000629524692 361125670 /nfs/dbraw/zinc/12/56/70/361125670.db2.gz TZBDUWIAQIAVAB-CQSZACIVSA-N 2 0 246.354 1.771 20 0 BDADRP C[NH2+]CC1CC[NH+](CCCCOC)CC1 ZINC000158505244 361200474 /nfs/dbraw/zinc/20/04/74/361200474.db2.gz BCDDSPJFFCCLDG-UHFFFAOYSA-N 2 0 214.353 1.344 20 0 BDADRP CCSCC[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000158571414 361203878 /nfs/dbraw/zinc/20/38/78/361203878.db2.gz DBUMVJJXNNUNIC-SNVBAGLBSA-N 2 0 216.394 1.799 20 0 BDADRP C[C@H](O)C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640534618 361303690 /nfs/dbraw/zinc/30/36/90/361303690.db2.gz QOWXQYJDCAJVNB-ZDUSSCGKSA-N 2 0 228.380 1.565 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H](CO)c2ccccc2)C1 ZINC000579140601 366723437 /nfs/dbraw/zinc/72/34/37/366723437.db2.gz JSQBLNDEHCLQQS-RRFJBIMHSA-N 2 0 248.370 1.622 20 0 BDADRP [NH3+]C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)C1CCCC1 ZINC000579024115 366697941 /nfs/dbraw/zinc/69/79/41/366697941.db2.gz BAPBFRBKUFSKDO-UPJWGTAASA-N 2 0 225.380 1.363 20 0 BDADRP CC[NH2+]CCCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000579225182 366737111 /nfs/dbraw/zinc/73/71/11/366737111.db2.gz TZSSQWRYOQYNPE-NEPJUHHUSA-N 2 0 213.369 1.236 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CC1(F)F ZINC000622044078 370676032 /nfs/dbraw/zinc/67/60/32/370676032.db2.gz UIFJDDFKJMTOGK-GUBZILKMSA-N 2 0 218.291 1.749 20 0 BDADRP C[C@H]([NH3+])CCNC1CC[NH+](C(C)(C)C)CC1 ZINC000622045791 370680010 /nfs/dbraw/zinc/68/00/10/370680010.db2.gz ZUDKFCLIXGZVKE-NSHDSACASA-N 2 0 227.396 1.576 20 0 BDADRP C[C@@H]([NH2+]CC[C@H](C)[NH3+])C1CC[NH+](C)CC1 ZINC000622045784 370680151 /nfs/dbraw/zinc/68/01/51/370680151.db2.gz YIWCPIIDKJOMCD-WDEREUQCSA-N 3 0 213.369 1.044 20 0 BDADRP CC[NH2+]CCCNC(=O)[C@H](CC)[NH+](CC)CC ZINC000579235884 366741501 /nfs/dbraw/zinc/74/15/01/366741501.db2.gz MMDIGWHNSMPAGG-LBPRGKRZSA-N 2 0 243.395 1.223 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@@H](C)SC)CC1 ZINC000162341448 361346525 /nfs/dbraw/zinc/34/65/25/361346525.db2.gz VXIFBTGCAGPXQT-SNVBAGLBSA-N 2 0 216.394 1.812 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCOCC1CC1 ZINC000162868488 361368835 /nfs/dbraw/zinc/36/88/35/361368835.db2.gz BHQYLRYRRSOQRP-OCCSQVGLSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CCOCCC[NH3+])C1 ZINC000629539246 361404677 /nfs/dbraw/zinc/40/46/77/361404677.db2.gz PBKKUSOCXDAAPY-UPJWGTAASA-N 2 0 228.380 1.766 20 0 BDADRP COC[C@H]([NH2+]CCOCCC[NH3+])C1CCCC1 ZINC000629537219 361400982 /nfs/dbraw/zinc/40/09/82/361400982.db2.gz JCHAZPLKWXIUOX-ZDUSSCGKSA-N 2 0 244.379 1.147 20 0 BDADRP CC[C@@H](C[N@@H+]1CC[C@H](c2nccn2C)C1)OC ZINC000579369395 366771087 /nfs/dbraw/zinc/77/10/87/366771087.db2.gz BEPXPNWYRPTVHJ-RYUDHWBXSA-N 2 0 237.347 1.634 20 0 BDADRP C[C@@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)[C@H]1CCCC[NH2+]1 ZINC000629539767 361402520 /nfs/dbraw/zinc/40/25/20/361402520.db2.gz NUSKBDNUIIQICJ-FDYHWXHSSA-N 2 0 225.380 1.247 20 0 BDADRP C[C@@H]1CC[C@H](N[C@H]2C[C@@H]([NH3+])c3ccccc32)C[NH2+]1 ZINC000629535830 361411736 /nfs/dbraw/zinc/41/17/36/361411736.db2.gz DGOFXPXDCUZFGE-BVIHXZOGSA-N 2 0 245.370 1.861 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc[nH]c1=O ZINC000629543409 361411756 /nfs/dbraw/zinc/41/17/56/361411756.db2.gz AQZDDKMYZRBDHT-SNVBAGLBSA-N 2 0 223.320 1.394 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1CO ZINC000579461593 366813313 /nfs/dbraw/zinc/81/33/13/366813313.db2.gz JZVYAGKVRPMLGK-WFASDCNBSA-N 2 0 248.370 1.786 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C1CC1)C1CCC1 ZINC000629546405 361427840 /nfs/dbraw/zinc/42/78/40/361427840.db2.gz PKQGSYNZHZWANQ-BIMULSAOSA-N 2 0 208.349 1.905 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000629546756 361428934 /nfs/dbraw/zinc/42/89/34/361428934.db2.gz HHIPOHBAVPYTQE-ZDEQEGDKSA-N 2 0 224.348 1.271 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc[nH]c1=O ZINC000629547483 361430255 /nfs/dbraw/zinc/43/02/55/361430255.db2.gz TXXBQVBSUCZVDT-GXSJLCMTSA-N 2 0 221.304 1.004 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)[C@H]1CCOC1 ZINC000629548513 361434519 /nfs/dbraw/zinc/43/45/19/361434519.db2.gz POCYDBMFNYFOOQ-FIQHERPVSA-N 2 0 212.337 1.142 20 0 BDADRP CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)[C@@H]1CCOC1 ZINC000629548515 361434639 /nfs/dbraw/zinc/43/46/39/361434639.db2.gz POCYDBMFNYFOOQ-IRCOFANPSA-N 2 0 212.337 1.142 20 0 BDADRP C[C@@H]1C[N@@H+](CCOCC[NH3+])C[C@H](C)C1(F)F ZINC000629552273 361435267 /nfs/dbraw/zinc/43/52/67/361435267.db2.gz GRASXKNWWBAGPK-AOOOYVTPSA-N 2 0 236.306 1.185 20 0 BDADRP C[C@H]1C[NH+](CCC[NH3+])C[C@H](C)C1(F)F ZINC000629552837 361436556 /nfs/dbraw/zinc/43/65/56/361436556.db2.gz RBJBWDQGYMWKHM-IUCAKERBSA-N 2 0 206.280 1.558 20 0 BDADRP CN1CCC[C@H]1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000629551817 361444210 /nfs/dbraw/zinc/44/42/10/361444210.db2.gz XTCSEBDHTWAFJC-RWMBFGLXSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CN1 ZINC000629542040 361417944 /nfs/dbraw/zinc/41/79/44/361417944.db2.gz XFYZCQURTVDSNK-RGDJUOJXSA-N 2 0 237.391 1.105 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CN1 ZINC000629542037 361418106 /nfs/dbraw/zinc/41/81/06/361418106.db2.gz XFYZCQURTVDSNK-HTOAHKCRSA-N 2 0 237.391 1.105 20 0 BDADRP CC[C@@H](C)[C@H](C)[NH2+]CCOCCC[NH3+] ZINC000629542071 361418308 /nfs/dbraw/zinc/41/83/08/361418308.db2.gz XUJYXLKBWMLHQW-MNOVXSKESA-N 2 0 202.342 1.376 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)Cc1ccccc1 ZINC000629569688 361461744 /nfs/dbraw/zinc/46/17/44/361461744.db2.gz YSRJSNNEVQYLDP-UHFFFAOYSA-N 2 0 222.332 1.354 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)C[C@@H]1CCCC[C@@H]1C ZINC000629572328 361463774 /nfs/dbraw/zinc/46/37/74/361463774.db2.gz QLRWXVJIQGVWIL-KBPBESRZSA-N 2 0 242.407 1.981 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)Cc1cncc(C)c1 ZINC000629572381 361463902 /nfs/dbraw/zinc/46/39/02/361463902.db2.gz RKGISGFGJPDUJI-UHFFFAOYSA-N 2 0 237.347 1.058 20 0 BDADRP O[C@@H](C[NH2+]C[C@@H]1C[C@H]1C1CC1)C[NH+]1CCCC1 ZINC000629580301 361465874 /nfs/dbraw/zinc/46/58/74/361465874.db2.gz QGYVEKIPBVDFDI-IHRRRGAJSA-N 2 0 238.375 1.079 20 0 BDADRP C[C@H]1CCCC[C@H]1C[N@H+](C)CCOCC[NH3+] ZINC000629581078 361471605 /nfs/dbraw/zinc/47/16/05/361471605.db2.gz MGUNGCHMMHSQPF-STQMWFEESA-N 2 0 228.380 1.720 20 0 BDADRP CCCC[N@H+](C)CCNC(=O)[C@@H](C[NH3+])C(C)C ZINC000433168726 201164173 /nfs/dbraw/zinc/16/41/73/201164173.db2.gz ODLRBYQMGSERSL-LBPRGKRZSA-N 2 0 243.395 1.065 20 0 BDADRP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CC[C@H]1CCCO1)C2 ZINC000629596346 361483324 /nfs/dbraw/zinc/48/33/24/361483324.db2.gz XAJVSPUORZTSRE-MCIONIFRSA-N 2 0 238.375 1.487 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)CCCC(C)C ZINC000629654822 361558487 /nfs/dbraw/zinc/55/84/87/361558487.db2.gz RUFTYQGTIIHCMK-UHFFFAOYSA-N 2 0 216.369 1.590 20 0 BDADRP Cn1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000629654420 361559262 /nfs/dbraw/zinc/55/92/62/361559262.db2.gz OELPUNAZHDUOEH-OAHLLOKOSA-N 2 0 247.386 1.847 20 0 BDADRP CCC([NH3+])(CC)CNCc1ccn(C)c1 ZINC000629647603 361537809 /nfs/dbraw/zinc/53/78/09/361537809.db2.gz BDVOUTQSSAOTPZ-UHFFFAOYSA-N 2 0 209.337 1.632 20 0 BDADRP Cn1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000629648162 361539648 /nfs/dbraw/zinc/53/96/48/361539648.db2.gz QDSZWTGYUVXAFS-LLVKDONJSA-N 2 0 207.321 1.114 20 0 BDADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]CC2=CCCOC2)C1 ZINC000629649074 361543203 /nfs/dbraw/zinc/54/32/03/361543203.db2.gz HAOSLXIGHRJLAQ-ZYHUDNBSSA-N 2 0 210.321 1.050 20 0 BDADRP Cn1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000629649226 361543518 /nfs/dbraw/zinc/54/35/18/361543518.db2.gz MMJAMDWEJKLXQR-LSDHHAIUSA-N 2 0 247.386 1.989 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[NH2+][C@H](C)C2)CN1 ZINC000629660470 361566132 /nfs/dbraw/zinc/56/61/32/361566132.db2.gz USDZIJYKAIWQLD-NDBYEHHHSA-N 2 0 225.380 1.105 20 0 BDADRP Cc1cnccc1C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000629649336 361545099 /nfs/dbraw/zinc/54/50/99/361545099.db2.gz PXNILZIWATYPNS-DGCLKSJQSA-N 2 0 219.332 1.607 20 0 BDADRP Cn1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000629649661 361546880 /nfs/dbraw/zinc/54/68/80/361546880.db2.gz YUGHTAHTZVGCDB-RYUDHWBXSA-N 2 0 207.321 1.385 20 0 BDADRP CC[C@@H]1C[N@H+](Cc2ccn(C)c2)CC[C@H]1[NH3+] ZINC000629652195 361549451 /nfs/dbraw/zinc/54/94/51/361549451.db2.gz XSIAAQMVYWYOBQ-CHWSQXEVSA-N 2 0 221.348 1.584 20 0 BDADRP C[C@@]1(C[NH3+])CC[N@H+](CC2=CCCOC2)C1 ZINC000629652857 361551301 /nfs/dbraw/zinc/55/13/01/361551301.db2.gz DWOKJBXAWFPNSM-LBPRGKRZSA-N 2 0 210.321 1.004 20 0 BDADRP C[C@@]1(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)CC[NH2+]C1 ZINC000629653018 361551863 /nfs/dbraw/zinc/55/18/63/361551863.db2.gz FDUPQLXEYHKMKW-FRRDWIJNSA-N 2 0 240.416 1.956 20 0 BDADRP CCC[C@H](C)C[N@H+](C)CCOCC[NH2+]C ZINC000629654291 361554668 /nfs/dbraw/zinc/55/46/68/361554668.db2.gz PCICPQSGCKBAAU-LBPRGKRZSA-N 2 0 216.369 1.590 20 0 BDADRP C[N@H+](CC1=CCCOC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000629651926 361557507 /nfs/dbraw/zinc/55/75/07/361557507.db2.gz PDMHYJKXLOEWRT-PBWFPOADSA-N 2 0 236.359 1.548 20 0 BDADRP [NH3+]CCCOCC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000629677971 361600425 /nfs/dbraw/zinc/60/04/25/361600425.db2.gz JRKGMQGUEIVYNS-GJZGRUSLSA-N 2 0 248.370 1.745 20 0 BDADRP C[C@H]1CCC[C@H](C[NH2+]CCOCCC[NH3+])C1 ZINC000629677696 361600906 /nfs/dbraw/zinc/60/09/06/361600906.db2.gz DKPGQMVDHHMEOG-STQMWFEESA-N 2 0 228.380 1.768 20 0 BDADRP C[N@H+](CCOCC[NH3+])Cc1cccc(C2CC2)c1 ZINC000629667305 361588501 /nfs/dbraw/zinc/58/85/01/361588501.db2.gz WVIKFRBDALJXSN-UHFFFAOYSA-N 2 0 248.370 1.971 20 0 BDADRP [NH3+]C1CCC([NH2+]Cc2cccc(O)c2)CC1 ZINC000051693337 181341487 /nfs/dbraw/zinc/34/14/87/181341487.db2.gz LGSRYJIUMKCZIE-UHFFFAOYSA-N 2 0 220.316 1.752 20 0 BDADRP [NH3+]CCOc1ccc(C2=CC[NH2+]CC2)cc1 ZINC000629723864 361665594 /nfs/dbraw/zinc/66/55/94/361665594.db2.gz SMLQZIPCALLDGK-UHFFFAOYSA-N 2 0 218.300 1.401 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000154472372 201280565 /nfs/dbraw/zinc/28/05/65/201280565.db2.gz MRINAFGAROUDOV-WOPDTQHZSA-N 2 0 214.353 1.220 20 0 BDADRP c1cc(C2=CC[NH2+]CC2)cc([C@@H]2C[NH2+]CCO2)c1 ZINC000629722811 361663524 /nfs/dbraw/zinc/66/35/24/361663524.db2.gz FDBVHWJSHBAZRB-HNNXBMFYSA-N 2 0 244.338 1.724 20 0 BDADRP [NH3+][C@H](CO)c1ccc(C2=CC[NH2+]CC2)cc1 ZINC000629722914 361663649 /nfs/dbraw/zinc/66/36/49/361663649.db2.gz HPLLJMGTVOCBTD-CYBMUJFWSA-N 2 0 218.300 1.055 20 0 BDADRP Cc1cc(C[NH3+])ccc1C1=CC[NH2+]CC1 ZINC000629722870 361663823 /nfs/dbraw/zinc/66/38/23/361663823.db2.gz GFSRUNKADQWINB-UHFFFAOYSA-N 2 0 202.301 1.830 20 0 BDADRP C[NH2+]CCCN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000435883575 201295858 /nfs/dbraw/zinc/29/58/58/201295858.db2.gz ZVFKFWGMHUNFHL-AWEZNQCLSA-N 2 0 239.407 1.260 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000435886180 201292885 /nfs/dbraw/zinc/29/28/85/201292885.db2.gz UBGOEWABNPSTGV-LBPRGKRZSA-N 2 0 222.336 1.130 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000083462516 491161823 /nfs/dbraw/zinc/16/18/23/491161823.db2.gz QNQZUHQTFNSSKM-YPMHNXCESA-N 2 0 228.380 1.467 20 0 BDADRP [NH3+]C1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000011729505 181345455 /nfs/dbraw/zinc/34/54/55/181345455.db2.gz FFERUJQCFWOSAZ-CYBMUJFWSA-N 2 0 220.316 1.143 20 0 BDADRP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]CCC[NH3+] ZINC000437782083 201372452 /nfs/dbraw/zinc/37/24/52/201372452.db2.gz XPAWDFDILRGSJV-LBPRGKRZSA-N 2 0 241.379 1.106 20 0 BDADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NCCC[NH3+])C1 ZINC000437795879 201374741 /nfs/dbraw/zinc/37/47/41/201374741.db2.gz HHWPYKFTMNOIPF-DZGCQCFKSA-N 2 0 247.386 1.760 20 0 BDADRP CCC[NH2+]C(C)(C)CN1CC[NH+](CC)CC1 ZINC000451993632 202507092 /nfs/dbraw/zinc/50/70/92/202507092.db2.gz UUXBQIGMHWVHAB-UHFFFAOYSA-N 2 0 227.396 1.402 20 0 BDADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2C[C@@H](CO)C2)CC1 ZINC000631670984 364262268 /nfs/dbraw/zinc/26/22/68/364262268.db2.gz ZKFDLIJAGXFWED-BJHJDKERSA-N 2 0 240.391 1.610 20 0 BDADRP [NH3+]CC1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000036231122 181365470 /nfs/dbraw/zinc/36/54/70/181365470.db2.gz DZLQPQZEKXVBKG-LBPRGKRZSA-N 2 0 212.337 1.226 20 0 BDADRP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000573565921 364863053 /nfs/dbraw/zinc/86/30/53/364863053.db2.gz FPBAVDNDUQJXPU-WZRBSPASSA-N 2 0 249.358 1.237 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000573685051 364892249 /nfs/dbraw/zinc/89/22/49/364892249.db2.gz DVPLVOSOEZHEDT-DCAQKATOSA-N 2 0 249.358 1.562 20 0 BDADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccnn1C ZINC000573921373 364946684 /nfs/dbraw/zinc/94/66/84/364946684.db2.gz VMQNSRFXMPELTR-LLVKDONJSA-N 2 0 244.342 1.730 20 0 BDADRP C(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)[C@H]1CCCO1 ZINC000335011691 541419128 /nfs/dbraw/zinc/41/91/28/541419128.db2.gz XDYGYCZRKIBIQC-ZIAGYGMSSA-N 2 0 238.375 1.631 20 0 BDADRP [NH3+]CCCC[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000037715162 181377597 /nfs/dbraw/zinc/37/75/97/181377597.db2.gz KREVFMIEUDDXDY-UHFFFAOYSA-N 2 0 236.315 1.286 20 0 BDADRP [NH3+]CCCCNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000357787994 181377719 /nfs/dbraw/zinc/37/77/19/181377719.db2.gz HVYPCCSORPNLEU-NWDGAFQWSA-N 2 0 241.379 1.139 20 0 BDADRP Nc1cc(C[NH+]2CCC(CC[NH3+])CC2)ccn1 ZINC000574406924 365056065 /nfs/dbraw/zinc/05/60/65/365056065.db2.gz YOVOLRZEFMZKPU-UHFFFAOYSA-N 2 0 234.347 1.055 20 0 BDADRP CC[NH2+]CCCN[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000574440888 365060640 /nfs/dbraw/zinc/06/06/40/365060640.db2.gz PLLZPFDOANPWRD-VXGBXAGGSA-N 2 0 225.380 1.201 20 0 BDADRP [NH3+][C@H]1C[C@H](NCC[C@H]2CCC[NH2+]2)c2ccccc21 ZINC000575051824 365179760 /nfs/dbraw/zinc/17/97/60/365179760.db2.gz KYXRQTGYZNZNTN-UGFHNGPFSA-N 2 0 245.370 1.863 20 0 BDADRP CC[NH2+]Cc1ccccc1NC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000191987298 365219867 /nfs/dbraw/zinc/21/98/67/365219867.db2.gz HGBDALOKLQFSFZ-QWRGUYRKSA-N 2 0 249.358 1.718 20 0 BDADRP COC[C@@H](C)C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000575850665 365384566 /nfs/dbraw/zinc/38/45/66/365384566.db2.gz NBZWLELWPLDBJG-NWDGAFQWSA-N 2 0 214.353 1.248 20 0 BDADRP CC(C)[NH2+]CCCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000575859834 365387160 /nfs/dbraw/zinc/38/71/60/365387160.db2.gz VYQNOTKFXUWVOH-OLZOCXBDSA-N 2 0 227.396 1.624 20 0 BDADRP Cc1cnc(C)nc1NCC[N@H+]1CCC[C@H](C)C1 ZINC000579770322 367003388 /nfs/dbraw/zinc/00/33/88/367003388.db2.gz UWSFHSZMLCIYFL-NSHDSACASA-N 2 0 248.374 1.659 20 0 BDADRP C[NH2+]CCCN1CC[C@H](Oc2ccccc2)C1 ZINC000579834931 367039794 /nfs/dbraw/zinc/03/97/94/367039794.db2.gz FRYWTUAOMVGOGM-AWEZNQCLSA-N 2 0 234.343 1.749 20 0 BDADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccco1 ZINC000580707243 367147440 /nfs/dbraw/zinc/14/74/40/367147440.db2.gz FGQVKQWYLSRTON-UHFFFAOYSA-N 2 0 239.363 1.205 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000381470007 367413735 /nfs/dbraw/zinc/41/37/35/367413735.db2.gz NZQAICPEASKCPZ-FVCCEPFGSA-N 2 0 226.364 1.626 20 0 BDADRP CC1CC[NH+](C[C@@H](O)C[NH2+]CC2(C)CC2)CC1 ZINC000581345913 367362708 /nfs/dbraw/zinc/36/27/08/367362708.db2.gz OUJSLWSIMUCMBC-ZDUSSCGKSA-N 2 0 240.391 1.469 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+]CC[C@@H]2CCOC2)C1 ZINC000381621815 367440653 /nfs/dbraw/zinc/44/06/53/367440653.db2.gz AIGYYHWMVNLGCD-OLZOCXBDSA-N 2 0 226.364 1.344 20 0 BDADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]CC1(C)CC1 ZINC000381706583 367449116 /nfs/dbraw/zinc/44/91/16/367449116.db2.gz JJVVEAZNPBVIOA-LBPRGKRZSA-N 2 0 228.380 1.733 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCCO[C@@H]2CCOC2)C1 ZINC000581499793 367528157 /nfs/dbraw/zinc/52/81/57/367528157.db2.gz SGWDEAUVURLXSN-FRRDWIJNSA-N 2 0 242.363 1.042 20 0 BDADRP C[C@H](C[NH3+])N(C)CCOc1ccccc1F ZINC000382967041 367575026 /nfs/dbraw/zinc/57/50/26/367575026.db2.gz CQODQQYXGGCBKB-SNVBAGLBSA-N 2 0 226.295 1.484 20 0 BDADRP CN(C[C@@H](O)C[NH2+]C[C@H]1CC=CCC1)C1CC1 ZINC000383497106 367628846 /nfs/dbraw/zinc/62/88/46/367628846.db2.gz DJGNJBXVVACBBG-JSGCOSHPSA-N 2 0 238.375 1.387 20 0 BDADRP CCCC[N@H+](C)CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000581618011 367638171 /nfs/dbraw/zinc/63/81/71/367638171.db2.gz NCALMWHPFIDRAE-QWHCGFSZSA-N 2 0 227.396 1.578 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCSC2)C1 ZINC000384040303 367669660 /nfs/dbraw/zinc/66/96/60/367669660.db2.gz FVHFYZXOKPLYSP-IJLUTSLNSA-N 2 0 228.405 1.989 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCSC2)C1 ZINC000384040305 367669673 /nfs/dbraw/zinc/66/96/73/367669673.db2.gz FVHFYZXOKPLYSP-QJPTWQEYSA-N 2 0 228.405 1.989 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000384339933 367685464 /nfs/dbraw/zinc/68/54/64/367685464.db2.gz CAZVMJOMYMUHJB-JHJVBQTASA-N 2 0 228.380 1.502 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000384854451 367744626 /nfs/dbraw/zinc/74/46/26/367744626.db2.gz GHICESIPIPCZDA-RWMBFGLXSA-N 2 0 228.380 1.874 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000384854450 367744796 /nfs/dbraw/zinc/74/47/96/367744796.db2.gz GHICESIPIPCZDA-JHJVBQTASA-N 2 0 228.380 1.874 20 0 BDADRP C[C@H](CC(C)(C)O)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000384928417 367760589 /nfs/dbraw/zinc/76/05/89/367760589.db2.gz SAUCFQCVIQKJKZ-FRRDWIJNSA-N 2 0 240.391 1.752 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H]2C[C@@H](C)O[C@H]2C)C1 ZINC000384962694 367766364 /nfs/dbraw/zinc/76/63/64/367766364.db2.gz SIFVIQTYQHNOGB-RQJABVFESA-N 2 0 240.391 1.872 20 0 BDADRP Cc1ncc(C[NH2+]C[C@@H]2C[C@H]2C2CC2)n1C ZINC000581737871 367801165 /nfs/dbraw/zinc/80/11/65/367801165.db2.gz UZQJJBBPOGQIME-AAEUAGOBSA-N 2 0 219.332 1.864 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](Cc2cnc(N)s2)CC1 ZINC000566226143 326018560 /nfs/dbraw/zinc/01/85/60/326018560.db2.gz YQXKMDZOWYNVNE-QMMMGPOBSA-N 2 0 240.376 1.115 20 0 BDADRP C[C@H]1CC[C@@H](NC2CC[NH+](C3CC3)CC2)C[NH2+]1 ZINC000399192902 367897623 /nfs/dbraw/zinc/89/76/23/367897623.db2.gz QRJVCCLGOBOMHZ-WCQYABFASA-N 2 0 237.391 1.343 20 0 BDADRP CC(C)C[C@H]([NH3+])c1noc(C2CC[NH2+]CC2)n1 ZINC000566216366 326016166 /nfs/dbraw/zinc/01/61/66/326016166.db2.gz LRGSHVLLBKCQDX-JTQLQIEISA-N 2 0 238.335 1.583 20 0 BDADRP C[C@@H]([NH2+]CC(C)(C)CCO)[C@H]1CCCC[NH2+]1 ZINC000386625896 368002661 /nfs/dbraw/zinc/00/26/61/368002661.db2.gz YXDGBGXYBZJZNH-VXGBXAGGSA-N 2 0 228.380 1.515 20 0 BDADRP C[C@H]([NH2+]CC(C)(C)CCO)[C@@H]1CCCC[NH2+]1 ZINC000386625894 368003249 /nfs/dbraw/zinc/00/32/49/368003249.db2.gz YXDGBGXYBZJZNH-RYUDHWBXSA-N 2 0 228.380 1.515 20 0 BDADRP CC(C)OCCC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386618570 368001601 /nfs/dbraw/zinc/00/16/01/368001601.db2.gz XTXGILUEPMOFFA-CHWSQXEVSA-N 2 0 228.380 1.922 20 0 BDADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCCC[NH+](C)C ZINC000387406332 368169409 /nfs/dbraw/zinc/16/94/09/368169409.db2.gz BSIWQJKLPITLOT-NSHDSACASA-N 2 0 243.395 1.079 20 0 BDADRP C[NH2+]CCC(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000566560546 326064117 /nfs/dbraw/zinc/06/41/17/326064117.db2.gz ZLPBBTLKEITYSL-VIFPVBQESA-N 2 0 221.304 1.254 20 0 BDADRP C[NH+](C)CCC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000056522264 368469935 /nfs/dbraw/zinc/46/99/35/368469935.db2.gz ASEGILJTYSRPRG-AWEZNQCLSA-N 2 0 240.391 1.687 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+][C@H]2CCCC[C@@H]2O)C1 ZINC000086403964 368880257 /nfs/dbraw/zinc/88/02/57/368880257.db2.gz PCVWNKIKOQTXKV-USZNOCQGSA-N 2 0 212.337 1.149 20 0 BDADRP CSCCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000086404306 368881403 /nfs/dbraw/zinc/88/14/03/368881403.db2.gz FFCQHCKSBDOJED-NXEZZACHSA-N 2 0 202.367 1.599 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCOC2CCCC2)C1 ZINC000086404266 368881529 /nfs/dbraw/zinc/88/15/29/368881529.db2.gz BZYOZARDSSUSDY-RYUDHWBXSA-N 2 0 226.364 1.805 20 0 BDADRP CCn1cccc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000091127554 369005470 /nfs/dbraw/zinc/00/54/70/369005470.db2.gz GWIWDLQYIPIOKR-ZDUSSCGKSA-N 2 0 235.375 1.939 20 0 BDADRP Cc1nccnc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000631823811 368984796 /nfs/dbraw/zinc/98/47/96/368984796.db2.gz OJNSLMQIONPSEE-AVGNSLFASA-N 2 0 246.358 1.344 20 0 BDADRP COc1ccc(CN2C[C@@H](C[NH3+])[C@H](C)C2)cn1 ZINC000631836490 369078989 /nfs/dbraw/zinc/07/89/89/369078989.db2.gz ACHFLRCQCBYAOG-ZYHUDNBSSA-N 2 0 235.331 1.117 20 0 BDADRP C[C@@H]([NH3+])CCC(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000404893834 369438367 /nfs/dbraw/zinc/43/83/67/369438367.db2.gz RVWRELNQMQWJEP-VXGBXAGGSA-N 2 0 241.379 1.057 20 0 BDADRP CC[C@@H]1C[C@H]1C[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000388098575 369452360 /nfs/dbraw/zinc/45/23/60/369452360.db2.gz WVDAOKFYGIWJSA-NTZNESFSSA-N 2 0 226.364 1.077 20 0 BDADRP Cn1cccc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459746167 203350914 /nfs/dbraw/zinc/35/09/14/203350914.db2.gz ZAKHOBRLJRPYIG-CYBMUJFWSA-N 2 0 235.375 1.847 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)[C@@H](C)O1 ZINC000459794379 203369651 /nfs/dbraw/zinc/36/96/51/203369651.db2.gz UOBFMHDCYBNBQL-MQYQWHSLSA-N 2 0 240.391 1.874 20 0 BDADRP CN(C[C@H](O)C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C1CC1 ZINC000459794076 203369885 /nfs/dbraw/zinc/36/98/85/203369885.db2.gz WKUMNESDURCBIS-ZZVYKPCYSA-N 2 0 238.375 1.220 20 0 BDADRP C[C@H](C[NH+]1CCC([NH2+]CCO)CC1)C(C)(C)C ZINC000631863392 369609358 /nfs/dbraw/zinc/60/93/58/369609358.db2.gz ZRLPIFGOHHGCDQ-GFCCVEGCSA-N 2 0 242.407 1.715 20 0 BDADRP C[C@H](C[S@@](C)=O)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000252803747 370134421 /nfs/dbraw/zinc/13/44/21/370134421.db2.gz CBGNXDQGYRUZIW-GLKRBJQHSA-N 2 0 246.420 1.073 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@@H]21 ZINC000252863543 370137301 /nfs/dbraw/zinc/13/73/01/370137301.db2.gz OSOIDHQLOYPUCS-FVCCEPFGSA-N 2 0 224.348 1.082 20 0 BDADRP CC[NH+](CC)CCCN[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631867087 370211851 /nfs/dbraw/zinc/21/18/51/370211851.db2.gz IYAHVJDKUWTNPD-KGLIPLIRSA-N 2 0 239.407 1.450 20 0 BDADRP C[C@@H](O)CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000309885097 370272119 /nfs/dbraw/zinc/27/21/19/370272119.db2.gz XRFCBWKWMYPXQO-XQHKEYJVSA-N 2 0 226.364 1.220 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(C)(CC)CC1 ZINC000310462307 370346739 /nfs/dbraw/zinc/34/67/39/370346739.db2.gz BBFHWBQOFNYIJN-ZDUSSCGKSA-N 2 0 242.407 1.811 20 0 BDADRP Cc1cc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)ccn1 ZINC000621774521 370520118 /nfs/dbraw/zinc/52/01/18/370520118.db2.gz WFLNJOMUNDWTIV-JSGCOSHPSA-N 2 0 233.359 1.949 20 0 BDADRP [NH3+][C@]12CCC[C@@H]1C[N@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000621784479 370536150 /nfs/dbraw/zinc/53/61/50/370536150.db2.gz PNJUQRKJEWUDRJ-MJBXVCDLSA-N 3 0 237.391 1.189 20 0 BDADRP Cc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccn1 ZINC000621775033 370521971 /nfs/dbraw/zinc/52/19/71/370521971.db2.gz DGXZFZDPHFMEQD-GASCZTMLSA-N 2 0 245.370 1.821 20 0 BDADRP Cc1ncc(CN2C[C@H]3CCC[C@@]3([NH3+])C2)s1 ZINC000621781367 370530876 /nfs/dbraw/zinc/53/08/76/370530876.db2.gz COJLOMPZTHYSKV-ZYHUDNBSSA-N 2 0 237.372 1.765 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000623824043 371108339 /nfs/dbraw/zinc/10/83/39/371108339.db2.gz VMGYQAGMNXPKJI-MQYQWHSLSA-N 2 0 238.375 1.628 20 0 BDADRP CC[C@](C)(CO)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623946923 371172868 /nfs/dbraw/zinc/17/28/68/371172868.db2.gz MOOHPHVFNBSZJS-DGCLKSJQSA-N 2 0 228.380 1.610 20 0 BDADRP C[C@H]([NH2+]CCOCC[NH+](C)C)[C@H]1CCCCO1 ZINC000623968219 371203954 /nfs/dbraw/zinc/20/39/54/371203954.db2.gz XWKOJMYWFOHJLM-QWHCGFSZSA-N 2 0 244.379 1.112 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)[C@H]1CCCCO1)C[NH+](C)C ZINC000623988046 371221026 /nfs/dbraw/zinc/22/10/26/371221026.db2.gz XQSUCWFQJIASAI-FRRDWIJNSA-N 2 0 228.380 1.731 20 0 BDADRP [NH3+][C@@H]1C[C@@H](NCC[NH+]2CCCC2)c2ccccc21 ZINC000131930820 181598285 /nfs/dbraw/zinc/59/82/85/181598285.db2.gz GDKGRTVFQLJSDF-HUUCEWRRSA-N 2 0 245.370 1.817 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]1CCCCO1 ZINC000624009085 371245808 /nfs/dbraw/zinc/24/58/08/371245808.db2.gz OKVMJCMEXYYXRK-IGQOVBAYSA-N 2 0 240.391 1.874 20 0 BDADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(=O)[nH]c2)CC1 ZINC000631065335 371251611 /nfs/dbraw/zinc/25/16/11/371251611.db2.gz XRDFZBXLKKSSAU-UHFFFAOYSA-N 2 0 249.358 1.609 20 0 BDADRP COC[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)C1CC1 ZINC000624121566 371322787 /nfs/dbraw/zinc/32/27/87/371322787.db2.gz YCDAOMTVHCDZAJ-JSGCOSHPSA-N 2 0 240.391 1.733 20 0 BDADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2CCCOCC2)C1 ZINC000624122013 371322980 /nfs/dbraw/zinc/32/29/80/371322980.db2.gz ICDZMPQIUZSIAB-KGLIPLIRSA-N 2 0 240.391 1.877 20 0 BDADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CCOC2(C)C)C1 ZINC000624123522 371324963 /nfs/dbraw/zinc/32/49/63/371324963.db2.gz NPUUGENICQTFPM-CHWSQXEVSA-N 2 0 240.391 1.875 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H](O)C2)[C@H]2CCC[C@@H]21 ZINC000624216842 371403692 /nfs/dbraw/zinc/40/36/92/371403692.db2.gz RXUAAMCHMLWNBN-BJJPWKGXSA-N 2 0 238.375 1.220 20 0 BDADRP CO[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000624300604 371468339 /nfs/dbraw/zinc/46/83/39/371468339.db2.gz LZGQFRPPAVMFOM-YHQUGGNUSA-N 2 0 238.375 1.626 20 0 BDADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@](C)(O)C1 ZINC000161890455 371577953 /nfs/dbraw/zinc/57/79/53/371577953.db2.gz TVGZXACRYXXBJO-UONOGXRCSA-N 2 0 240.391 1.708 20 0 BDADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@@H]1CCCC[C@@H]1O ZINC000631811277 372589025 /nfs/dbraw/zinc/58/90/25/372589025.db2.gz WYCUGMJGNKRGAH-ZRJCITRHSA-N 2 0 238.375 1.362 20 0 BDADRP C[C@H]1OCC[C@@H]1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000631820503 372593313 /nfs/dbraw/zinc/59/33/13/372593313.db2.gz BBWWORVPCJPKGN-VXGBXAGGSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@H]1OCC[C@H]1C[NH+]1CCC(C[NH3+])CC1 ZINC000631821206 372595161 /nfs/dbraw/zinc/59/51/61/372595161.db2.gz RIYRUUKLEAHHIF-PWSUYJOCSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[NH+]1CCC(C[NH3+])CC1 ZINC000631821204 372595191 /nfs/dbraw/zinc/59/51/91/372595191.db2.gz RIYRUUKLEAHHIF-CMPLNLGQSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@H]1OCC[C@H]1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631822585 372599008 /nfs/dbraw/zinc/59/90/08/372599008.db2.gz IOBZWEQGVQWDTH-ZBBUEOHVSA-N 2 0 238.375 1.626 20 0 BDADRP C[C@H]1OCC[C@@H]1C[N@H+](C)CC(C)(C)[NH3+] ZINC000631829271 372611658 /nfs/dbraw/zinc/61/16/58/372611658.db2.gz MJBWJGWBMNPGHR-NXEZZACHSA-N 2 0 200.326 1.081 20 0 BDADRP Cc1nc(C)c(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)s1 ZINC000631837901 372628805 /nfs/dbraw/zinc/62/88/05/372628805.db2.gz GWNTVCGQXKZWRH-LDYMZIIASA-N 2 0 239.388 1.787 20 0 BDADRP C(C1CC[NH2+]CC1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631884358 372679449 /nfs/dbraw/zinc/67/94/49/372679449.db2.gz ISLDVCVWIRHDII-ZIAGYGMSSA-N 2 0 237.391 1.060 20 0 BDADRP F[C@H](c1nc([C@@H]2CCC[NH2+]2)no1)[C@@H]1CC[NH2+]C1 ZINC000634556661 374314762 /nfs/dbraw/zinc/31/47/62/374314762.db2.gz AMKVXYSRLRRIDN-VGMNWLOBSA-N 2 0 240.282 1.114 20 0 BDADRP COC[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C1CC1 ZINC000424379626 206038573 /nfs/dbraw/zinc/03/85/73/206038573.db2.gz VUNNKMSNEIWWQE-UTUOFQBUSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@H]1CC2(C[N@@H+]1Cc1cocn1)CC[NH2+]CC2 ZINC000424381457 206040060 /nfs/dbraw/zinc/04/00/60/206040060.db2.gz QVKDDJBVCGFFIP-NSHDSACASA-N 2 0 235.331 1.639 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@@H](O)C2)CC[N@@H+]1C ZINC000224042104 259572267 /nfs/dbraw/zinc/57/22/67/259572267.db2.gz IJRAFNAJZQNJDI-AAVRWANBSA-N 2 0 240.391 1.610 20 0 BDADRP OCCCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000304299431 183050375 /nfs/dbraw/zinc/05/03/75/183050375.db2.gz OBNIPUTXABKPBX-CYBMUJFWSA-N 2 0 226.364 1.177 20 0 BDADRP OCCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000300245417 183052291 /nfs/dbraw/zinc/05/22/91/183052291.db2.gz XDBIIYXIJGNAKE-MGPQQGTHSA-N 2 0 240.391 1.659 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)NCC(C)(C)C[NH+](C)C ZINC000037619100 169006191 /nfs/dbraw/zinc/00/61/91/169006191.db2.gz OUVGUSLMBSTMAA-NSHDSACASA-N 2 0 243.395 1.208 20 0 BDADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CC[C@@H](C)O)C1 ZINC000336688732 169077896 /nfs/dbraw/zinc/07/78/96/169077896.db2.gz YQXIWZZFPUTYIQ-OLZOCXBDSA-N 2 0 228.380 1.421 20 0 BDADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CC[C@H](C)O)C1 ZINC000336688734 169078758 /nfs/dbraw/zinc/07/87/58/169078758.db2.gz YQXIWZZFPUTYIQ-STQMWFEESA-N 2 0 228.380 1.421 20 0 BDADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)C(C)C)C1 ZINC000336720572 169079674 /nfs/dbraw/zinc/07/96/74/169079674.db2.gz WYXGAVJSYUHIFG-ZIAGYGMSSA-N 2 0 242.407 1.667 20 0 BDADRP O[C@H](C[NH2+]CC1CCCCC1)C[NH+]1CCCC1 ZINC000037859706 183223105 /nfs/dbraw/zinc/22/31/05/183223105.db2.gz XQSHYEQLKNDJEV-CQSZACIVSA-N 2 0 240.391 1.613 20 0 BDADRP CCC[N@H+](CC)C[C@@H](C)NC1CC[NH+](C)CC1 ZINC000353075694 169125327 /nfs/dbraw/zinc/12/53/27/169125327.db2.gz YRZYXIGSQDEACG-CYBMUJFWSA-N 2 0 241.423 1.791 20 0 BDADRP CCC[NH+]1CCC([N@H+](C)CC[C@@H](C)O)CC1 ZINC000336684820 169186439 /nfs/dbraw/zinc/18/64/39/169186439.db2.gz VDIZAVFIENUNBF-GFCCVEGCSA-N 2 0 228.380 1.564 20 0 BDADRP CCC[NH+]1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000363157216 169187227 /nfs/dbraw/zinc/18/72/27/169187227.db2.gz CXRBTRGXVOZLIR-UHFFFAOYSA-N 2 0 240.391 1.831 20 0 BDADRP CCC[NH+]1CCC(N2CCC[C@H]([NH3+])C2)CC1 ZINC000041027585 169187289 /nfs/dbraw/zinc/18/72/89/169187289.db2.gz NNNHDXFXGHJXQW-LBPRGKRZSA-N 2 0 225.380 1.284 20 0 BDADRP CCC[NH+]1CCC([NH2+]CC[C@@H](C)OC)CC1 ZINC000336748135 169188196 /nfs/dbraw/zinc/18/81/96/169188196.db2.gz XVRHGLYNNPPTQD-GFCCVEGCSA-N 2 0 228.380 1.875 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H](C)CCCC[NH3+])CC1 ZINC000310318972 169189107 /nfs/dbraw/zinc/18/91/07/169189107.db2.gz YBVVDDBDXXNCCL-CYBMUJFWSA-N 3 0 241.423 1.968 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H]2CCOC[C@@H]2C)CC1 ZINC000302023717 169189423 /nfs/dbraw/zinc/18/94/23/169189423.db2.gz FTHIIPJWAMPBBR-JSGCOSHPSA-N 2 0 240.391 1.875 20 0 BDADRP CCC[NH+]1CCC(N[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000341898832 169189739 /nfs/dbraw/zinc/18/97/39/169189739.db2.gz UQNGRWHXWDTIPQ-GXTWGEPZSA-N 2 0 239.407 1.401 20 0 BDADRP c1cc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccn1 ZINC000156022738 183338536 /nfs/dbraw/zinc/33/85/36/183338536.db2.gz ZBIOELPCFAJBEO-HUUCEWRRSA-N 2 0 245.370 1.841 20 0 BDADRP c1cc(C[NH2+][C@H]2CCC[NH2+]CC2)cs1 ZINC000160679669 183353272 /nfs/dbraw/zinc/35/32/72/183353272.db2.gz YYNQECBOMOPFLP-NSHDSACASA-N 2 0 210.346 1.980 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000295310916 169284659 /nfs/dbraw/zinc/28/46/59/169284659.db2.gz YJJJNLZCIPVIBP-DGCLKSJQSA-N 2 0 249.358 1.191 20 0 BDADRP c1ccc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)nc1 ZINC000127699778 183395262 /nfs/dbraw/zinc/39/52/62/183395262.db2.gz NHUGJRHRYWUHQN-LSDHHAIUSA-N 2 0 245.370 1.841 20 0 BDADRP CCC[NH2+][C@@H](C)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000295310914 169273382 /nfs/dbraw/zinc/27/33/82/169273382.db2.gz YJJJNLZCIPVIBP-AAEUAGOBSA-N 2 0 249.358 1.191 20 0 BDADRP CCC[C@@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000110757996 169369915 /nfs/dbraw/zinc/36/99/15/169369915.db2.gz IRMZLEPOZJJWAS-CYBMUJFWSA-N 2 0 241.423 1.791 20 0 BDADRP CCC[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000062972768 169387577 /nfs/dbraw/zinc/38/75/77/169387577.db2.gz NAJOLPGTLSIFOY-VXGBXAGGSA-N 2 0 241.379 1.057 20 0 BDADRP CCC[NH+]1CCC([NH2+]CCC[C@@H](C)CO)CC1 ZINC000223819738 134342989 /nfs/dbraw/zinc/34/29/89/134342989.db2.gz IYSVLPSUBUETSO-CYBMUJFWSA-N 2 0 242.407 1.859 20 0 BDADRP CC[NH+]1CCC([NH2+]CCC[C@@H](C)CO)CC1 ZINC000223819669 134343000 /nfs/dbraw/zinc/34/30/00/134343000.db2.gz PJZIRHQBQOYNBF-GFCCVEGCSA-N 2 0 228.380 1.469 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N(C)C1CC[NH+](C)CC1 ZINC000048221065 169545796 /nfs/dbraw/zinc/54/57/96/169545796.db2.gz MRGZFHDONWVYAC-ZDUSSCGKSA-N 2 0 241.379 1.057 20 0 BDADRP CCOC[C@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000227495742 134381182 /nfs/dbraw/zinc/38/11/82/134381182.db2.gz ZRRHCIGTGJQEBQ-LBPRGKRZSA-N 2 0 228.380 1.733 20 0 BDADRP CO[C@H](C[NH2+]CC1(C)CC[NH+](C)CC1)C1CC1 ZINC000400185418 383842901 /nfs/dbraw/zinc/84/29/01/383842901.db2.gz UBGQENDCHQPQFI-CYBMUJFWSA-N 2 0 240.391 1.733 20 0 BDADRP CC[C@H]([NH3+])C(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000037804631 383859090 /nfs/dbraw/zinc/85/90/90/383859090.db2.gz LWZYDTFZFPEKRE-LBPRGKRZSA-N 2 0 241.379 1.055 20 0 BDADRP C[C@@H](C[NH+](C)C)NC1CC[NH+](C2CC2)CC1 ZINC000309268829 383828590 /nfs/dbraw/zinc/82/85/90/383828590.db2.gz QTALEBPGDBGPNG-NSHDSACASA-N 2 0 225.380 1.153 20 0 BDADRP CC[C@](C)(C[NH3+])c1nc([C@H]2CCC[NH2+]2)no1 ZINC000647148033 383888066 /nfs/dbraw/zinc/88/80/66/383888066.db2.gz DJURQPFHRYBSOF-LDYMZIIASA-N 2 0 224.308 1.121 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@H](O)CC)CC1 ZINC000049555452 383955637 /nfs/dbraw/zinc/95/56/37/383955637.db2.gz LMWSKFQXKOEZDG-GFCCVEGCSA-N 2 0 214.353 1.221 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCC(F)(F)F)C1 ZINC000070911449 383959188 /nfs/dbraw/zinc/95/91/88/383959188.db2.gz SWQJYOPGFQXUOB-BDAKNGLRSA-N 2 0 224.270 1.998 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H]2CCSC2)C1 ZINC000224613711 383971216 /nfs/dbraw/zinc/97/12/16/383971216.db2.gz CBVLBBYWTZOBLK-SDDRHHMPSA-N 2 0 228.405 1.799 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643545780 384013873 /nfs/dbraw/zinc/01/38/73/384013873.db2.gz CGPCTHDVJFXODK-IJLUTSLNSA-N 2 0 226.364 1.674 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)[C@H](C)O1 ZINC000643548389 384035843 /nfs/dbraw/zinc/03/58/43/384035843.db2.gz OPNGYRFNHITFTH-XQHKEYJVSA-N 2 0 238.375 1.817 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643547863 384038489 /nfs/dbraw/zinc/03/84/89/384038489.db2.gz KAFLCAJCTSWQAQ-AGIUHOORSA-N 2 0 237.391 1.249 20 0 BDADRP Cc1cccc2ncc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])n21 ZINC000564973700 384055783 /nfs/dbraw/zinc/05/57/83/384055783.db2.gz ONYVUQUHERTBJJ-GHMZBOCLSA-N 2 0 246.358 1.858 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)CO1 ZINC000647219010 384074589 /nfs/dbraw/zinc/07/45/89/384074589.db2.gz YYJFUJFOEFZWGC-CQLXCSJHSA-N 2 0 226.364 1.626 20 0 BDADRP Cc1cnn(CC[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000235954112 384075423 /nfs/dbraw/zinc/07/54/23/384075423.db2.gz NBDANIIJACYZSB-STQMWFEESA-N 2 0 236.363 1.299 20 0 BDADRP Cn1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000091008479 384093847 /nfs/dbraw/zinc/09/38/47/384093847.db2.gz DKPYPDVSXAYJMN-CYBMUJFWSA-N 2 0 233.359 1.599 20 0 BDADRP [NH3+][C@H](CC(=O)N1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000163270822 384201334 /nfs/dbraw/zinc/20/13/34/384201334.db2.gz CJXRTIFHCLHORG-CHWSQXEVSA-N 2 0 247.342 1.026 20 0 BDADRP COCC[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000081715806 384196800 /nfs/dbraw/zinc/19/68/00/384196800.db2.gz DQOPOMRUZYOSCI-VWYCJHECSA-N 2 0 200.326 1.081 20 0 BDADRP CCC[C@H](C)[N@H+](C)C[C@@H](O)CN(C)C1CC1 ZINC000309458852 384220552 /nfs/dbraw/zinc/22/05/52/384220552.db2.gz RJRJCXCTQPEVDV-WCQYABFASA-N 2 0 228.380 1.562 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[NH+](CC2CC2)CC1 ZINC000042491265 384224810 /nfs/dbraw/zinc/22/48/10/384224810.db2.gz ZOPFSQOGLNLNCR-AWEZNQCLSA-N 2 0 239.407 1.387 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CN(C3CC3)C[C@@H]2C)CO1 ZINC000566215663 384251913 /nfs/dbraw/zinc/25/19/13/384251913.db2.gz LEJRKJYOGCXYBJ-NOHGZBONSA-N 2 0 224.348 1.236 20 0 BDADRP C=Cn1cc(C[NH2+]CC2=CC[N@H+](C)CC2)cn1 ZINC000278855086 384251996 /nfs/dbraw/zinc/25/19/96/384251996.db2.gz LMEMQIWOAHXMEI-UHFFFAOYSA-N 2 0 232.331 1.335 20 0 BDADRP CC(C)OCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000082645507 384252668 /nfs/dbraw/zinc/25/26/68/384252668.db2.gz IVRGDSBDPPXOST-VXGBXAGGSA-N 2 0 214.353 1.471 20 0 BDADRP CSCCC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000173745196 384261246 /nfs/dbraw/zinc/26/12/46/384261246.db2.gz JWGZJXYNHUEUBT-LLVKDONJSA-N 2 0 216.394 1.623 20 0 BDADRP C[C@@H]([NH2+]CCCCn1ccnc1)[C@H]1CCC[NH2+]1 ZINC000400419461 384261404 /nfs/dbraw/zinc/26/14/04/384261404.db2.gz WIFXBCOWYNGJHI-CHWSQXEVSA-N 2 0 236.363 1.393 20 0 BDADRP CCn1cc(CN[C@@H]2CC[N@H+](C)C[C@@H]2C)cn1 ZINC000134528131 384268348 /nfs/dbraw/zinc/26/83/48/384268348.db2.gz SVPJGYVXJIWRHV-WCQYABFASA-N 2 0 236.363 1.333 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CO[C@@H](C)C2)C1 ZINC000401899549 384241721 /nfs/dbraw/zinc/24/17/21/384241721.db2.gz PPAHQHUBRRYUSZ-TUAOUCFPSA-N 2 0 212.337 1.095 20 0 BDADRP C[C@H](C[NH2+][C@H]1CO[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000401915104 384279602 /nfs/dbraw/zinc/27/96/02/384279602.db2.gz AMNXAVXPFSBFDP-HZSPNIEDSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]1CC[C@@H](C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)O1 ZINC000402943730 384282107 /nfs/dbraw/zinc/28/21/07/384282107.db2.gz NXRNJNKXZXYOLY-XUXIUFHCSA-N 2 0 238.375 1.615 20 0 BDADRP CC[NH+](CC)CCCN1CC[NH2+]C[C@@H]1C ZINC000083347613 384298978 /nfs/dbraw/zinc/29/89/78/384298978.db2.gz FQDZNQNNEULPRQ-LBPRGKRZSA-N 2 0 213.369 1.012 20 0 BDADRP C[N@@H+](Cc1cncs1)CC1CC[NH2+]CC1 ZINC000095071337 384341292 /nfs/dbraw/zinc/34/12/92/384341292.db2.gz VKAQMMUNWJFTIV-UHFFFAOYSA-N 2 0 225.361 1.575 20 0 BDADRP Cc1ccc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)cn1 ZINC000228858635 384346106 /nfs/dbraw/zinc/34/61/06/384346106.db2.gz MHGBVQWQCGMVQN-GFCCVEGCSA-N 2 0 233.359 1.949 20 0 BDADRP Cc1ccc(C[NH+]2CCC(O)(C[NH3+])CC2)cc1C ZINC000335624359 384400090 /nfs/dbraw/zinc/40/00/90/384400090.db2.gz CIQQFECQSGQBRG-UHFFFAOYSA-N 2 0 248.370 1.589 20 0 BDADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CC1 ZINC000035732831 384421718 /nfs/dbraw/zinc/42/17/18/384421718.db2.gz BZTNFIYBOXWHDS-SMHCIBLRSA-N 2 0 208.349 2.000 20 0 BDADRP CCCCOCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000084220388 384378004 /nfs/dbraw/zinc/37/80/04/384378004.db2.gz PPACKNTYMHRLSH-NEPJUHHUSA-N 2 0 214.353 1.520 20 0 BDADRP CCOCCC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000084217919 384378145 /nfs/dbraw/zinc/37/81/45/384378145.db2.gz KOJDKZMTTXSZKC-QWRGUYRKSA-N 2 0 200.326 1.130 20 0 BDADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000449429358 384386882 /nfs/dbraw/zinc/38/68/82/384386882.db2.gz TWCZWGMNALEINH-NRWUCQMLSA-N 2 0 238.375 1.220 20 0 BDADRP Cc1ccncc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000135451247 384445018 /nfs/dbraw/zinc/44/50/18/384445018.db2.gz GIJYMFYUXFQIHU-ZDUSSCGKSA-N 2 0 245.370 1.964 20 0 BDADRP Cc1ccncc1C[NH2+][C@H](C)Cn1ccnc1 ZINC000135450260 384446696 /nfs/dbraw/zinc/44/66/96/384446696.db2.gz DULXDTSGNSXJBW-GFCCVEGCSA-N 2 0 230.315 1.765 20 0 BDADRP COCC[N@H+](C[C@]1(C)CC[NH2+]C1)C1CCCC1 ZINC000647513824 384427751 /nfs/dbraw/zinc/42/77/51/384427751.db2.gz HRUIEVFYUIXYBO-CQSZACIVSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@@]1(C[N@@H+]2CCC[C@H](CCO)C2)CC[NH2+]C1 ZINC000647515910 384461594 /nfs/dbraw/zinc/46/15/94/384461594.db2.gz ZTZLPFHYKMVAOP-CHWSQXEVSA-N 2 0 226.364 1.080 20 0 BDADRP C[NH+](C)CCC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000306000510 384465769 /nfs/dbraw/zinc/46/57/69/384465769.db2.gz KTFXUTJNSNYFBT-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@@H]1OCC[N@H+](CCC2CC[NH2+]CC2)[C@H]1C ZINC000335663076 384472980 /nfs/dbraw/zinc/47/29/80/384472980.db2.gz LFPMDVKKJPZGNC-RYUDHWBXSA-N 2 0 226.364 1.485 20 0 BDADRP CC[C@H]1CC[C@@H](C)[N@@H+]1CCN1CC[NH2+]CC1 ZINC000136184984 384485747 /nfs/dbraw/zinc/48/57/47/384485747.db2.gz AMILAOBJIQSWRT-OLZOCXBDSA-N 2 0 225.380 1.155 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1C[C@@H]1CCSC1 ZINC000224622367 384480499 /nfs/dbraw/zinc/48/04/99/384480499.db2.gz AVZOJQYGYCJSHS-OUAUKWLOSA-N 2 0 214.378 1.409 20 0 BDADRP CCC[C@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000037482597 384502935 /nfs/dbraw/zinc/50/29/35/384502935.db2.gz WCPKGDAOTKCLPH-LBPRGKRZSA-N 2 0 213.369 1.012 20 0 BDADRP C[C@H](O)C[NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000565593647 384486472 /nfs/dbraw/zinc/48/64/72/384486472.db2.gz JUUJXEJQHSKVIN-IHRRRGAJSA-N 2 0 242.407 1.715 20 0 BDADRP CC(C)[N@@H+](C)C[C@@H](C)N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000353562960 384531745 /nfs/dbraw/zinc/53/17/45/384531745.db2.gz CVCSRHHNYLDSAL-MGPQQGTHSA-N 2 0 241.423 1.787 20 0 BDADRP CC(C)[N@@H+](C)C[C@@H](C)N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000353562959 384532493 /nfs/dbraw/zinc/53/24/93/384532493.db2.gz CVCSRHHNYLDSAL-MCIONIFRSA-N 2 0 241.423 1.787 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](COC)C2CC2)C1 ZINC000151143305 384541793 /nfs/dbraw/zinc/54/17/93/384541793.db2.gz YGXYBQFRVCBFAV-OCCSQVGLSA-N 2 0 240.391 1.733 20 0 BDADRP C[NH+](C)CCC1CC[NH+](CCCCCO)CC1 ZINC000171145544 384558041 /nfs/dbraw/zinc/55/80/41/384558041.db2.gz GOASPKKFHGNMQF-UHFFFAOYSA-N 2 0 242.407 1.813 20 0 BDADRP Cc1nnsc1CN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000309726442 384558991 /nfs/dbraw/zinc/55/89/91/384558991.db2.gz DFBIQUVJLWTMFE-PSASIEDQSA-N 2 0 240.376 1.419 20 0 BDADRP COC[C@H]1CCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000643058136 384562052 /nfs/dbraw/zinc/56/20/52/384562052.db2.gz FVGNVJVGFQPPCC-NWDGAFQWSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)Cn1cccn1 ZINC000309738877 384568613 /nfs/dbraw/zinc/56/86/13/384568613.db2.gz HEIMYJVRQFWIKJ-RYUDHWBXSA-N 2 0 224.352 1.201 20 0 BDADRP CC[NH+](CC)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000236837502 384591053 /nfs/dbraw/zinc/59/10/53/384591053.db2.gz RPEDGLGBBYICMC-VXGBXAGGSA-N 2 0 241.379 1.057 20 0 BDADRP CC(C)[C@@H]([NH3+])c1cn(CC[NH+]2CCCC2)nn1 ZINC000305934024 384565814 /nfs/dbraw/zinc/56/58/14/384565814.db2.gz PSJSHYBYOFJNAD-GFCCVEGCSA-N 2 0 237.351 1.030 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCOC[C@@H]1C ZINC000300853948 384608582 /nfs/dbraw/zinc/60/85/82/384608582.db2.gz MGHREHGTMCQQNG-QJPTWQEYSA-N 2 0 214.353 1.341 20 0 BDADRP C([NH2+][C@H]1CC[NH2+]C1)[C@H]1CC2CCC1CC2 ZINC000335074136 384615412 /nfs/dbraw/zinc/61/54/12/384615412.db2.gz BOAYVGMIQAGAAB-TUUUFIMRSA-N 2 0 208.349 1.764 20 0 BDADRP C[C@H]1C[C@@H](C[NH+]2CCC(C)([NH3+])CC2)CC[NH2+]1 ZINC000647531014 384623171 /nfs/dbraw/zinc/62/31/71/384623171.db2.gz WDAHRSOYJDOWSC-RYUDHWBXSA-N 3 0 225.380 1.188 20 0 BDADRP CCCC(CCC)[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000309863317 384676278 /nfs/dbraw/zinc/67/62/78/384676278.db2.gz NMWHGVWZAQHWKL-ZDUSSCGKSA-N 2 0 228.380 1.611 20 0 BDADRP Cc1ccccc1[C@H]1CN(CCC[NH3+])CCO1 ZINC000556942827 384671987 /nfs/dbraw/zinc/67/19/87/384671987.db2.gz GIOAWGNMAGQEQA-CQSZACIVSA-N 2 0 234.343 1.717 20 0 BDADRP COC1(C[NH2+]CCCC[NH+](C)C)CCOCC1 ZINC000428853145 384672360 /nfs/dbraw/zinc/67/23/60/384672360.db2.gz YRUJBMXQRFOAPW-UHFFFAOYSA-N 2 0 244.379 1.113 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[C@H](OC(F)F)C1 ZINC000556942854 384672913 /nfs/dbraw/zinc/67/29/13/384672913.db2.gz KNKDHRBGIQEDOA-UWVGGRQHSA-N 2 0 236.306 1.673 20 0 BDADRP C[C@@H]1C[C@H]1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000309816880 384636596 /nfs/dbraw/zinc/63/65/96/384636596.db2.gz VKSMGEJZEVZHOV-OLZOCXBDSA-N 2 0 226.364 1.344 20 0 BDADRP C[C@@H]1CCC[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)C1 ZINC000336191129 384723426 /nfs/dbraw/zinc/72/34/26/384723426.db2.gz CBSJQKLKRRUMEL-OLZOCXBDSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1NCc1ccc2c[nH]nc2c1 ZINC000518131194 384724431 /nfs/dbraw/zinc/72/44/31/384724431.db2.gz VVAGMTSNVCYYKE-QMTHXVAHSA-N 2 0 244.342 1.651 20 0 BDADRP C[C@H](O)CCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300362996 384696994 /nfs/dbraw/zinc/69/69/94/384696994.db2.gz DHJZECHXPNMWAW-XQQFMLRXSA-N 2 0 226.364 1.364 20 0 BDADRP c1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)n[nH]1 ZINC000647542730 384703615 /nfs/dbraw/zinc/70/36/15/384703615.db2.gz AXWMETNRWZLWHF-OLZOCXBDSA-N 2 0 248.374 1.621 20 0 BDADRP c1nc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cs1 ZINC000108647964 384728295 /nfs/dbraw/zinc/72/82/95/384728295.db2.gz INWKNFMYXNJXCD-ZYHUDNBSSA-N 2 0 237.372 1.860 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)C1 ZINC000449094433 384720402 /nfs/dbraw/zinc/72/04/02/384720402.db2.gz RXROJPXUDDMRNB-XJFOESAGSA-N 2 0 240.391 1.874 20 0 BDADRP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCCCN1 ZINC000647546233 384729769 /nfs/dbraw/zinc/72/97/69/384729769.db2.gz GEWQWGFMUPTGCZ-XJFOESAGSA-N 2 0 237.391 1.106 20 0 BDADRP Nc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cn1 ZINC000647546615 384733941 /nfs/dbraw/zinc/73/39/41/384733941.db2.gz RZGOXJCRAFEFEO-NEPJUHHUSA-N 2 0 234.347 1.101 20 0 BDADRP C[C@H]1C[NH2+]C[C@H](NCC2([NH3+])CCCCCC2)C1 ZINC000647546674 384734550 /nfs/dbraw/zinc/73/45/50/384734550.db2.gz VNLDKVRHWQZOSB-CHWSQXEVSA-N 2 0 239.407 1.626 20 0 BDADRP C[NH2+]Cc1cccc(N[C@H]2C[NH2+]C[C@@H](C)C2)c1 ZINC000647547140 384737482 /nfs/dbraw/zinc/73/74/82/384737482.db2.gz OVNSMQNTOKUKEM-SMDDNHRTSA-N 2 0 233.359 1.816 20 0 BDADRP CC[NH+](CC)CCOCC[NH2+]C[C@@H]1C[C@@H]1C ZINC000309958867 384742887 /nfs/dbraw/zinc/74/28/87/384742887.db2.gz KAJMOVIBIILAEP-STQMWFEESA-N 2 0 228.380 1.590 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](N[C@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC000647548117 384750304 /nfs/dbraw/zinc/75/03/04/384750304.db2.gz VVLRCEOPROQVAS-AVGNSLFASA-N 2 0 237.391 1.249 20 0 BDADRP CC[NH+](CC)CCOCC[NH2+][C@H](C)C1CC1 ZINC000309972667 384750689 /nfs/dbraw/zinc/75/06/89/384750689.db2.gz QHKAEOWYWAMBOA-GFCCVEGCSA-N 2 0 228.380 1.733 20 0 BDADRP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000300396568 384750897 /nfs/dbraw/zinc/75/08/97/384750897.db2.gz FJHAHZZJRYMPKO-NNYUYHANSA-N 2 0 246.420 1.206 20 0 BDADRP CCSCCC[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000336665232 384751185 /nfs/dbraw/zinc/75/11/85/384751185.db2.gz UYBZEPJHYYRKGX-QWRGUYRKSA-N 2 0 216.394 1.669 20 0 BDADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(N)nc2)C[C@H]1C[NH3+] ZINC000647552181 384756922 /nfs/dbraw/zinc/75/69/22/384756922.db2.gz KUTVMDKFYZJYQG-NQBHXWOUSA-N 2 0 248.374 1.299 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000647553245 384768527 /nfs/dbraw/zinc/76/85/27/384768527.db2.gz MGPATAZQHFOBQR-AWEZNQCLSA-N 3 0 233.359 1.235 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000647553668 384768621 /nfs/dbraw/zinc/76/86/21/384768621.db2.gz GQUJKXPNVNAOBV-IJLUTSLNSA-N 2 0 208.349 1.907 20 0 BDADRP FC1CCC(C[NH2+][C@H]2CC[NH2+]C2)CC1 ZINC000647553331 384768754 /nfs/dbraw/zinc/76/87/54/384768754.db2.gz SVUFWANMXJNDDB-ILDUYXDCSA-N 2 0 200.301 1.466 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)O1 ZINC000398160465 384821952 /nfs/dbraw/zinc/82/19/52/384821952.db2.gz VVIVFYSOCAKMKF-DHGKCCLASA-N 2 0 240.391 1.872 20 0 BDADRP CC(C)([NH3+])CCC(=O)NCc1ccc(C[NH3+])cc1 ZINC000648201748 384824884 /nfs/dbraw/zinc/82/48/84/384824884.db2.gz KWSRXWGRZGZFBT-UHFFFAOYSA-N 2 0 249.358 1.279 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CCOC2)C[C@@H]1C[NH3+] ZINC000397331971 384798106 /nfs/dbraw/zinc/79/81/06/384798106.db2.gz RHHZQBMFDJUKJK-VOAKCMCISA-N 2 0 226.364 1.328 20 0 BDADRP C[C@H](C[NH3+])N[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000423329119 384807097 /nfs/dbraw/zinc/80/70/97/384807097.db2.gz ONTCNTMWCFBINT-YUELXQCFSA-N 2 0 247.386 1.759 20 0 BDADRP C[C@@H](C[NH3+])CNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000557191593 384873284 /nfs/dbraw/zinc/87/32/84/384873284.db2.gz MMGLZROJMVTNDD-WCQYABFASA-N 2 0 249.358 1.178 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCCOC(F)F ZINC000398277295 384880458 /nfs/dbraw/zinc/88/04/58/384880458.db2.gz YEIGIMUUWLCHOU-SECBINFHSA-N 2 0 224.295 1.723 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCOC(F)(F)F ZINC000398207584 384842868 /nfs/dbraw/zinc/84/28/68/384842868.db2.gz CDTAZJGFMMXDAR-IUCAKERBSA-N 2 0 240.269 1.630 20 0 BDADRP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@@H]1CCO[C@H](C)C1 ZINC000309803154 384844068 /nfs/dbraw/zinc/84/40/68/384844068.db2.gz ROHXFXGCUMSVTA-FDYHWXHSSA-N 2 0 226.364 1.341 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)C(C)(C)C ZINC000151864689 384850872 /nfs/dbraw/zinc/85/08/72/384850872.db2.gz LKKDRUUJKBUBKL-LBPRGKRZSA-N 2 0 242.407 1.715 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)[C@@H](C)O)C[NH+]1CCCCC1 ZINC000564843556 384956073 /nfs/dbraw/zinc/95/60/73/384956073.db2.gz AOZYGAPPPHXJTD-FRRDWIJNSA-N 2 0 228.380 1.467 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCc1ccccc1F ZINC000258953128 384957442 /nfs/dbraw/zinc/95/74/42/384957442.db2.gz KNYLTUWTFGWWIL-OLZOCXBDSA-N 2 0 222.307 1.838 20 0 BDADRP C[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C[NH+](C)C ZINC000310191862 384891894 /nfs/dbraw/zinc/89/18/94/384891894.db2.gz YWWIRAVTNKDCHL-MGPQQGTHSA-N 2 0 239.407 1.401 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@H](C)CCC[NH3+] ZINC000308656287 384898849 /nfs/dbraw/zinc/89/88/49/384898849.db2.gz NRIRXSRYPFKROI-MNOVXSKESA-N 2 0 202.342 1.255 20 0 BDADRP C(CN1CC[C@@H]2[NH2+]CC[C@H]2C1)C1CC[NH2+]CC1 ZINC000336266206 384903657 /nfs/dbraw/zinc/90/36/57/384903657.db2.gz ICVFAHLXLMMSMJ-KBPBESRZSA-N 2 0 237.391 1.060 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H]2CCOC[C@H]2C)C1 ZINC000306016297 384919236 /nfs/dbraw/zinc/91/92/36/384919236.db2.gz RYPDKCRVIWFVOZ-MCIONIFRSA-N 2 0 240.391 1.731 20 0 BDADRP CC(C)[C@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000366598783 384924469 /nfs/dbraw/zinc/92/44/69/384924469.db2.gz SVYPSCFLXWIDKJ-QNMSZWNNSA-N 2 0 240.391 1.560 20 0 BDADRP C[NH2+]CCCN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000257776818 384927205 /nfs/dbraw/zinc/92/72/05/384927205.db2.gz YZOWOTJCMBRQTJ-CYBMUJFWSA-N 2 0 225.380 1.156 20 0 BDADRP C[C@@H](O)CC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000257771795 384928417 /nfs/dbraw/zinc/92/84/17/384928417.db2.gz NUDXLNCMMHYRMG-NEPJUHHUSA-N 2 0 214.353 1.173 20 0 BDADRP C[C@@H](C[NH2+][C@H]1CCOC2(CCC2)C1)C[NH+](C)C ZINC000310268681 384932816 /nfs/dbraw/zinc/93/28/16/384932816.db2.gz SBXYUCHXDWQSPT-STQMWFEESA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)([NH3+])CCC(=O)NCC1([NH3+])CCCCC1 ZINC000647609477 384939479 /nfs/dbraw/zinc/93/94/79/384939479.db2.gz ACIWDESLUMSKIX-UHFFFAOYSA-N 2 0 241.379 1.282 20 0 BDADRP c1cncc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c1 ZINC000258810599 384940030 /nfs/dbraw/zinc/94/00/30/384940030.db2.gz UHTRRHUYAGDOCS-LBPRGKRZSA-N 2 0 219.332 1.561 20 0 BDADRP CCC[NH+]1CCC(C[NH2+]C[C@@H](C)O)CC1 ZINC000644533189 384946200 /nfs/dbraw/zinc/94/62/00/384946200.db2.gz DCPHYGAOJFFSHY-LLVKDONJSA-N 2 0 214.353 1.079 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000258842940 384948243 /nfs/dbraw/zinc/94/82/43/384948243.db2.gz WLXUCKXAMVTYSL-SNVBAGLBSA-N 2 0 236.315 1.142 20 0 BDADRP Cc1ccc(C[NH2+]C[C@@H](C)C[NH3+])c(C)c1 ZINC000258871172 384948628 /nfs/dbraw/zinc/94/86/28/384948628.db2.gz ZUOUWMRCJIKHEY-NSHDSACASA-N 2 0 206.333 1.988 20 0 BDADRP C[C@H](O)[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000566230501 384966037 /nfs/dbraw/zinc/96/60/37/384966037.db2.gz HVQIVWQHFIMPOO-WCQYABFASA-N 2 0 226.364 1.079 20 0 BDADRP C[NH2+]C[C@@H]1CCN(Cc2ccns2)C1 ZINC000404432872 384992589 /nfs/dbraw/zinc/99/25/89/384992589.db2.gz ADZGAQSJGJQKDB-VIFPVBQESA-N 2 0 211.334 1.184 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cc[nH]c2)C1 ZINC000086256451 385004778 /nfs/dbraw/zinc/00/47/78/385004778.db2.gz GGWUZEJPPSUIQH-CHWSQXEVSA-N 2 0 221.348 1.977 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(C)C ZINC000310367240 385008790 /nfs/dbraw/zinc/00/87/90/385008790.db2.gz WNBJQRLDPRZVHT-HZSPNIEDSA-N 2 0 240.391 1.874 20 0 BDADRP c1cc(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)sn1 ZINC000404510195 385016020 /nfs/dbraw/zinc/01/60/20/385016020.db2.gz QBCZHYVLGBUALO-ONGXEEELSA-N 2 0 223.345 1.327 20 0 BDADRP CC1(C)[C@H]([NH2+]CCc2cccnc2)C[C@@H]1[NH3+] ZINC000404779043 385054293 /nfs/dbraw/zinc/05/42/93/385054293.db2.gz MMTLHIAGJGTHDP-NWDGAFQWSA-N 2 0 219.332 1.340 20 0 BDADRP COc1c(C)cnc(Cn2ccnc2)c1C ZINC000108657922 385058991 /nfs/dbraw/zinc/05/89/91/385058991.db2.gz FDJGZGUBZBWEMS-UHFFFAOYSA-N 2 0 217.272 1.952 20 0 BDADRP CC(C)([NH3+])CCc1nc(C2([NH3+])CCCC2)no1 ZINC000647135532 385084216 /nfs/dbraw/zinc/08/42/16/385084216.db2.gz VKRNIZMMVPXBLG-UHFFFAOYSA-N 2 0 238.335 1.468 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CCC[NH+](C)C ZINC000336678069 385072954 /nfs/dbraw/zinc/07/29/54/385072954.db2.gz DQRXAUXDGCDURV-NSHDSACASA-N 3 0 201.358 1.045 20 0 BDADRP C1CC1[C@H]1CC[C@@H]1[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423543434 385025311 /nfs/dbraw/zinc/02/53/11/385025311.db2.gz BVMKTESVILOPQP-XQQFMLRXSA-N 2 0 208.349 1.907 20 0 BDADRP CCC(CC)[C@@H](O)C[NH2+][C@H](C)CCCC[NH3+] ZINC000336681945 385030063 /nfs/dbraw/zinc/03/00/63/385030063.db2.gz YHMHPZDAXPWGGR-YPMHNXCESA-N 2 0 230.396 1.891 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H](c1ccco1)N(C)C ZINC000310547572 385111364 /nfs/dbraw/zinc/11/13/64/385111364.db2.gz SVHUTMKQCNIJQY-NWDGAFQWSA-N 2 0 239.363 1.599 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCCC[C@H]1C ZINC000300026742 385113469 /nfs/dbraw/zinc/11/34/69/385113469.db2.gz ZRONFRWEKQALTR-AGIUHOORSA-N 2 0 228.380 1.909 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC[C@H]1CCCO1 ZINC000404844526 385102841 /nfs/dbraw/zinc/10/28/41/385102841.db2.gz OJDMYHCZZKTFAQ-GMTAPVOTSA-N 2 0 212.337 1.271 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@H](C)C[C@H](C)[NH3+] ZINC000422710488 385193569 /nfs/dbraw/zinc/19/35/69/385193569.db2.gz FXRATIZSCSLZHE-TUAOUCFPSA-N 2 0 215.385 1.432 20 0 BDADRP Cc1cncc(CN2CC[C@H](C[NH+](C)C)C2)c1 ZINC000189889862 385194968 /nfs/dbraw/zinc/19/49/68/385194968.db2.gz KWMYWEWHTXJGLA-CYBMUJFWSA-N 2 0 233.359 1.774 20 0 BDADRP CC[NH+](CC)C[C@@H](C)N[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422718762 385195202 /nfs/dbraw/zinc/19/52/02/385195202.db2.gz PZBHVMBBRYYIKK-MCIONIFRSA-N 2 0 241.423 1.837 20 0 BDADRP Cc1ccncc1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000227423948 385142956 /nfs/dbraw/zinc/14/29/56/385142956.db2.gz LEDYLPMGEMEOQK-QWHCGFSZSA-N 2 0 233.359 1.949 20 0 BDADRP CC[NH+](CC)CC(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000157364334 385150561 /nfs/dbraw/zinc/15/05/61/385150561.db2.gz IOXZGMUXWPMJKN-CYBMUJFWSA-N 2 0 243.395 1.208 20 0 BDADRP C1CC12C[C@@H]2[NH2+][C@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000424370095 385152138 /nfs/dbraw/zinc/15/21/38/385152138.db2.gz CQWAEUVCAKKULF-CYDGBPFRSA-N 2 0 236.359 1.286 20 0 BDADRP C[C@H](CCC[NH3+])NC(=O)CCC1CC[NH2+]CC1 ZINC000647064565 385209854 /nfs/dbraw/zinc/20/98/54/385209854.db2.gz BAEIFOMMCMVXJW-LLVKDONJSA-N 2 0 241.379 1.010 20 0 BDADRP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@@H](C)CCC[NH3+] ZINC000647064750 385210751 /nfs/dbraw/zinc/21/07/51/385210751.db2.gz XDUBEHLEZFJGEU-AAEUAGOBSA-N 2 0 249.358 1.238 20 0 BDADRP CCCCOCC[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000045107895 385245799 /nfs/dbraw/zinc/24/57/99/385245799.db2.gz MJCCCHNWIOXSDQ-NSHDSACASA-N 2 0 200.326 1.084 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCCCCF)C[C@@H]12 ZINC000308961731 385313797 /nfs/dbraw/zinc/31/37/97/385313797.db2.gz GMLLFCKMFCJRQX-IJLUTSLNSA-N 2 0 214.328 1.795 20 0 BDADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCCCCF)C[C@H]12 ZINC000308961735 385314068 /nfs/dbraw/zinc/31/40/68/385314068.db2.gz GMLLFCKMFCJRQX-SDDRHHMPSA-N 2 0 214.328 1.795 20 0 BDADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCCCCF)C[C@@H]12 ZINC000308961733 385314299 /nfs/dbraw/zinc/31/42/99/385314299.db2.gz GMLLFCKMFCJRQX-QJPTWQEYSA-N 2 0 214.328 1.795 20 0 BDADRP [NH3+]Cc1ccc(-c2nc(C3([NH3+])CCC3)no2)o1 ZINC000647140491 385262775 /nfs/dbraw/zinc/26/27/75/385262775.db2.gz XKXPRANGLPLOCS-UHFFFAOYSA-N 2 0 234.259 1.126 20 0 BDADRP C[NH+](C)CCCC[NH2+]C1CCOCC1 ZINC000045663894 385274309 /nfs/dbraw/zinc/27/43/09/385274309.db2.gz FEAYZBDFNAGUGE-UHFFFAOYSA-N 2 0 200.326 1.097 20 0 BDADRP Cc1ccnc(N2CC[C@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000272138170 385276274 /nfs/dbraw/zinc/27/62/74/385276274.db2.gz AVMDNBLJHJJGAT-CHWSQXEVSA-N 2 0 231.343 1.920 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1c1nc(C[C@H](C)[NH2+]C)no1 ZINC000647142743 385294489 /nfs/dbraw/zinc/29/44/89/385294489.db2.gz BRIYTYGVPONFTE-AEJSXWLSSA-N 2 0 238.335 1.076 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@@H]2CCN(C)C[C@@H]21)C1CC1 ZINC000425455239 385337478 /nfs/dbraw/zinc/33/74/78/385337478.db2.gz HPZBJNROEZEAKL-FPMFFAJLSA-N 2 0 238.375 1.437 20 0 BDADRP C[NH2+]Cc1ccccc1NC(=O)CCC(C)(C)[NH3+] ZINC000647655105 385344618 /nfs/dbraw/zinc/34/46/18/385344618.db2.gz KOULXZOGBYCLJO-UHFFFAOYSA-N 2 0 249.358 1.862 20 0 BDADRP CCN(C)C[C@@H](O)C[N@@H+]1CCCC(C)(C)C1 ZINC000390505881 385353345 /nfs/dbraw/zinc/35/33/45/385353345.db2.gz WNLJOGFLWJCUCX-GFCCVEGCSA-N 2 0 228.380 1.421 20 0 BDADRP COC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000180195556 385384966 /nfs/dbraw/zinc/38/49/66/385384966.db2.gz VCEHBRZGTIQUMB-QWHCGFSZSA-N 2 0 238.375 1.772 20 0 BDADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)CN(C)C ZINC000168781225 385387612 /nfs/dbraw/zinc/38/76/12/385387612.db2.gz GVODUZPAWGEGQO-NEPJUHHUSA-N 2 0 236.359 1.863 20 0 BDADRP Cc1ccc(O)c(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)n1 ZINC000228064580 385325164 /nfs/dbraw/zinc/32/51/64/385325164.db2.gz PZIYGENJNIOVTP-MNOVXSKESA-N 2 0 235.331 1.265 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H]2[NH2+]CC2(C)C)cc1 ZINC000644072851 385420579 /nfs/dbraw/zinc/42/05/79/385420579.db2.gz KCFJNPHOBMKFAM-SKDRFNHKSA-N 2 0 247.342 1.643 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000309174195 385450098 /nfs/dbraw/zinc/45/00/98/385450098.db2.gz MCSKUUHSZTXCMF-UTUOFQBUSA-N 2 0 214.353 1.077 20 0 BDADRP C[C@H](O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000194949856 385452602 /nfs/dbraw/zinc/45/26/02/385452602.db2.gz ZXHAAIIRPDQVSL-NSHDSACASA-N 2 0 214.353 1.031 20 0 BDADRP C[C@H]([NH3+])c1ccc(C(=O)NCC[NH2+]C2CC2)cc1 ZINC000644083462 385433942 /nfs/dbraw/zinc/43/39/42/385433942.db2.gz DSSDHLGPFZUGPM-JTQLQIEISA-N 2 0 247.342 1.188 20 0 BDADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](C)OC)C1 ZINC000182201263 385434685 /nfs/dbraw/zinc/43/46/85/385434685.db2.gz KDEOJENJJJVKTD-OLZOCXBDSA-N 2 0 228.380 1.685 20 0 BDADRP COCC[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000405302670 385467975 /nfs/dbraw/zinc/46/79/75/385467975.db2.gz JJYINSDIMXYAOS-LPEHRKFASA-N 2 0 200.326 1.127 20 0 BDADRP Cn1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000257660808 385488488 /nfs/dbraw/zinc/48/84/88/385488488.db2.gz GFHLCVYRCZBDON-ZDUSSCGKSA-N 2 0 219.332 1.211 20 0 BDADRP CCN1CCC[C@H]([NH2+]C[C@@](C)(CC)OC)C1 ZINC000319036716 385540285 /nfs/dbraw/zinc/54/02/85/385540285.db2.gz KMNRHHSACXNLHP-QWHCGFSZSA-N 2 0 228.380 1.875 20 0 BDADRP COC1(C[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)CCCC1 ZINC000318914365 385522926 /nfs/dbraw/zinc/52/29/26/385522926.db2.gz BZXYENVVHZJDCY-QWRGUYRKSA-N 2 0 212.337 1.367 20 0 BDADRP Cc1c[nH+]ccc1N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643031163 385527470 /nfs/dbraw/zinc/52/74/70/385527470.db2.gz ITGBAMRMHYSEBN-VXGBXAGGSA-N 2 0 217.316 1.578 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CC1(CO)CCCC1 ZINC000309413316 385574283 /nfs/dbraw/zinc/57/42/83/385574283.db2.gz VUOOQDUCAJXAGC-GFCCVEGCSA-N 2 0 228.380 1.646 20 0 BDADRP C[C@H](C[NH3+])CNC1CC[NH+](C(C)(C)C)CC1 ZINC000309353419 385549411 /nfs/dbraw/zinc/54/94/11/385549411.db2.gz NOIVQXISNMBDQG-LLVKDONJSA-N 2 0 227.396 1.434 20 0 BDADRP CC(C)CCOCC[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000309383789 385556521 /nfs/dbraw/zinc/55/65/21/385556521.db2.gz SLMUNLDOKBXVKP-QWHCGFSZSA-N 2 0 228.380 1.589 20 0 BDADRP CCC[C@H]([NH2+]C(C)C)C(=O)N(C)CC[NH+](C)C ZINC000354484162 385558638 /nfs/dbraw/zinc/55/86/38/385558638.db2.gz CMQHCYZFFIWMES-LBPRGKRZSA-N 2 0 243.395 1.173 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CCC[NH+]1CCCCC1 ZINC000309396117 385561576 /nfs/dbraw/zinc/56/15/76/385561576.db2.gz IKYXNSQVGIWZHX-ZDUSSCGKSA-N 3 0 227.396 1.579 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+]Cc1cccc(C)c1 ZINC000414849206 385625445 /nfs/dbraw/zinc/62/54/45/385625445.db2.gz XRXJILUMNZZNAX-LBPRGKRZSA-N 2 0 206.333 1.940 20 0 BDADRP Cc1ncccc1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414850755 385641656 /nfs/dbraw/zinc/64/16/56/385641656.db2.gz IIPCWOHIMIEARL-QWHCGFSZSA-N 2 0 233.359 1.868 20 0 BDADRP Cc1ncccc1C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414850752 385642740 /nfs/dbraw/zinc/64/27/40/385642740.db2.gz IIPCWOHIMIEARL-OLZOCXBDSA-N 2 0 233.359 1.868 20 0 BDADRP CC[C@H](C)C[NH2+]CCCC[NH+]1CCOCC1 ZINC000093062203 385648561 /nfs/dbraw/zinc/64/85/61/385648561.db2.gz OULDGIUGANDHPG-ZDUSSCGKSA-N 2 0 228.380 1.735 20 0 BDADRP c1ccc([C@@H]2C[C@@H]2[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000643367027 385655269 /nfs/dbraw/zinc/65/52/69/385655269.db2.gz YCTDPYKCMMDWBS-AJNGGQMLSA-N 2 0 228.339 1.694 20 0 BDADRP C([NH2+][C@H]1CCC[C@@H]1C1CC1)[C@@H]1CCC[NH2+]1 ZINC000414854419 385693344 /nfs/dbraw/zinc/69/33/44/385693344.db2.gz ZJOAPICCBKXLBZ-XQQFMLRXSA-N 2 0 208.349 1.907 20 0 BDADRP C[C@@H]([NH2+]CCC[NH+](C)C)[C@H]1CCCO1 ZINC000122602356 385696473 /nfs/dbraw/zinc/69/64/73/385696473.db2.gz SDIWSHIGBCBRIN-GHMZBOCLSA-N 2 0 200.326 1.095 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+]CCC(C)(C)C(=O)OC ZINC000414855078 385699219 /nfs/dbraw/zinc/69/92/19/385699219.db2.gz WCFFQTRMCHRVDE-JTQLQIEISA-N 2 0 230.352 1.021 20 0 BDADRP CCN(CC)CC[NH2+][C@H](C)CCC[NH3+] ZINC000336683706 385669999 /nfs/dbraw/zinc/66/99/99/385669999.db2.gz JIOATZRVIWGIHN-LLVKDONJSA-N 2 0 201.358 1.045 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCCCF ZINC000336684390 385671596 /nfs/dbraw/zinc/67/15/96/385671596.db2.gz JYCNMLCZLYNURH-WDEREUQCSA-N 2 0 202.317 1.843 20 0 BDADRP CC[NH+]1CCC(N[C@@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000128524941 385729188 /nfs/dbraw/zinc/72/91/88/385729188.db2.gz RTSHKKDBNHYXKO-GXTWGEPZSA-N 2 0 239.407 1.401 20 0 BDADRP CC[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000414859679 385736679 /nfs/dbraw/zinc/73/66/79/385736679.db2.gz URUPQHDWLJUKDD-MJBXVCDLSA-N 2 0 239.407 1.306 20 0 BDADRP OC1CC(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647794831 385739252 /nfs/dbraw/zinc/73/92/52/385739252.db2.gz DKUGTGANBWPRTB-ANNIKCPVSA-N 2 0 238.375 1.125 20 0 BDADRP CC(C)C[C@@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000336654880 385740139 /nfs/dbraw/zinc/74/01/39/385740139.db2.gz GXUXKWNTORAQQY-GFCCVEGCSA-N 2 0 228.380 1.467 20 0 BDADRP CCCC[C@@H](COC)[NH2+]CCC[NH2+]C ZINC000414859421 385740959 /nfs/dbraw/zinc/74/09/59/385740959.db2.gz MVOQQRUEQMFMNQ-NSHDSACASA-N 2 0 202.342 1.391 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCOCC[NH+](C)C)[C@H]1C ZINC000336694844 385741549 /nfs/dbraw/zinc/74/15/49/385741549.db2.gz NPHZPYOTZJYICL-WOPDTQHZSA-N 2 0 214.353 1.199 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCCO1 ZINC000336696444 385746024 /nfs/dbraw/zinc/74/60/24/385746024.db2.gz TXINPOGOFVWWRQ-GHMZBOCLSA-N 2 0 200.326 1.273 20 0 BDADRP c1cn(CC[N@@H+]2CCO[C@H]3CCC[C@H]32)cn1 ZINC000270844495 385750833 /nfs/dbraw/zinc/75/08/33/385750833.db2.gz OGSPDEFYIWYDPO-NEPJUHHUSA-N 2 0 221.304 1.136 20 0 BDADRP c1cn(CC[N@@H+]2CCO[C@H]3CCC[C@@H]32)cn1 ZINC000270844501 385751563 /nfs/dbraw/zinc/75/15/63/385751563.db2.gz OGSPDEFYIWYDPO-RYUDHWBXSA-N 2 0 221.304 1.136 20 0 BDADRP CCC[C@H](O)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000336701442 385766610 /nfs/dbraw/zinc/76/66/10/385766610.db2.gz XUMUIAHGRUTDRN-QWRGUYRKSA-N 2 0 202.342 1.255 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CCN2CC[NH2+]CC2)[C@@H](C)C1 ZINC000414865118 385766804 /nfs/dbraw/zinc/76/68/04/385766804.db2.gz CTLIXANZFLLQOB-RDBSUJKOSA-N 2 0 239.407 1.306 20 0 BDADRP C[NH+](C)CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000309648204 385768336 /nfs/dbraw/zinc/76/83/36/385768336.db2.gz MZPKXGUHUDYNGI-JHJVBQTASA-N 2 0 225.380 1.010 20 0 BDADRP CC(C)N(C)CC[NH2+][C@@H](C)CCC[NH3+] ZINC000336702434 385768820 /nfs/dbraw/zinc/76/88/20/385768820.db2.gz ZBXVLGFHZXCNMB-NSHDSACASA-N 2 0 201.358 1.044 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@](C)(CO)C(C)C ZINC000309670766 385784317 /nfs/dbraw/zinc/78/43/17/385784317.db2.gz VWMKGGMAQHICLG-ZDUSSCGKSA-N 2 0 230.396 1.715 20 0 BDADRP Cc1[nH+]ccc(NCC[NH+]2CCCC2)c1Cl ZINC000336653973 385719107 /nfs/dbraw/zinc/71/91/07/385719107.db2.gz JTBNBYZMQJBXRG-UHFFFAOYSA-N 2 0 239.750 1.973 20 0 BDADRP C[NH2+]CCC[NH2+][C@H](C)CC1CCOCC1 ZINC000414857254 385724978 /nfs/dbraw/zinc/72/49/78/385724978.db2.gz CFSFBGFOVFXRCC-LLVKDONJSA-N 2 0 214.353 1.391 20 0 BDADRP C([NH2+][C@H]1CCOC1)[C@@H]1CCCCN1C1CC1 ZINC000309697841 385798094 /nfs/dbraw/zinc/79/80/94/385798094.db2.gz RVWRYUKMTVTYFY-AAEUAGOBSA-N 2 0 224.348 1.382 20 0 BDADRP Cc1[nH+]ccc(NC[C@@H](C)[NH+](C)C)c1Cl ZINC000336711039 385799420 /nfs/dbraw/zinc/79/94/20/385799420.db2.gz UFNPAUKGGGKGRQ-MRVPVSSYSA-N 2 0 227.739 1.827 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCSC2)CC[NH2+]1 ZINC000414945142 385799846 /nfs/dbraw/zinc/79/98/46/385799846.db2.gz HXTWCVGDDXTAQZ-GMTAPVOTSA-N 2 0 214.378 1.612 20 0 BDADRP C1=C(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC[NH2+]C1 ZINC000647799750 385803104 /nfs/dbraw/zinc/80/31/04/385803104.db2.gz PZLFHLPMSAQIPF-RBSFLKMASA-N 3 0 249.402 1.274 20 0 BDADRP CC(C)[C@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000414950901 385819574 /nfs/dbraw/zinc/81/95/74/385819574.db2.gz PEARLJAUWGVNME-YIYPIFLZSA-N 2 0 240.391 1.920 20 0 BDADRP COc1cccc(C[C@@H](C)N[C@@H]2CCC[NH2+]C2)n1 ZINC000414871493 385857649 /nfs/dbraw/zinc/85/76/49/385857649.db2.gz UXYCCCGBKBDYFG-DGCLKSJQSA-N 2 0 249.358 1.363 20 0 BDADRP C[C@@H]([NH3+])C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000261855125 385830718 /nfs/dbraw/zinc/83/07/18/385830718.db2.gz PESKJIKAHSDKDU-SNVBAGLBSA-N 2 0 235.331 1.076 20 0 BDADRP C[C@H]1SCC[C@@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000647804000 385840240 /nfs/dbraw/zinc/84/02/40/385840240.db2.gz HKIFBXOHLWCYQR-YYJSSNLHSA-N 2 0 228.405 1.988 20 0 BDADRP C[C@H]1SCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000647804408 385840729 /nfs/dbraw/zinc/84/07/29/385840729.db2.gz PYFLYCFFYYAVSE-ARHMULMVSA-N 2 0 226.389 1.753 20 0 BDADRP c1cn(CCCNc2ncnc3[nH]ccc32)cn1 ZINC000271643871 385844751 /nfs/dbraw/zinc/84/47/51/385844751.db2.gz QHMMBESQHDIGRA-UHFFFAOYSA-N 2 0 242.286 1.657 20 0 BDADRP CCC[NH2+]CCN[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000414871765 385858795 /nfs/dbraw/zinc/85/87/95/385858795.db2.gz OLAWCXQWWRGZAF-STQMWFEESA-N 2 0 227.396 1.306 20 0 BDADRP Cn1ccc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)n1 ZINC000271119092 385790680 /nfs/dbraw/zinc/79/06/80/385790680.db2.gz IZOHUWAEIOFXHO-LLVKDONJSA-N 2 0 245.330 1.523 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCO1)C[NH+](C)C ZINC000336706846 385794365 /nfs/dbraw/zinc/79/43/65/385794365.db2.gz ROIXCXGSXWIGTA-WOPDTQHZSA-N 2 0 214.353 1.341 20 0 BDADRP CCN(CCC[NH2+]C)[C@@H]1CCC[NH2+]CC1 ZINC000336709175 385794631 /nfs/dbraw/zinc/79/46/31/385794631.db2.gz RBMYGKWTOIKPGY-GFCCVEGCSA-N 2 0 213.369 1.060 20 0 BDADRP CCc1ncc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)o1 ZINC000647798671 385796030 /nfs/dbraw/zinc/79/60/30/385796030.db2.gz VJKWEEPBWDVEDJ-IJLUTSLNSA-N 2 0 249.358 1.715 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)cc1 ZINC000647840237 385887186 /nfs/dbraw/zinc/88/71/86/385887186.db2.gz WKXTZBWGDMVCJW-PMEZXALUSA-N 2 0 245.326 1.395 20 0 BDADRP Fc1cncc(C[NH2+]CCC[C@H]2CCC[NH2+]2)c1 ZINC000414962366 385891335 /nfs/dbraw/zinc/89/13/35/385891335.db2.gz JPRHOSZCLRJGSE-ZDUSSCGKSA-N 2 0 237.322 1.843 20 0 BDADRP Cc1ccc(O)c(C[NH2+]CCC[C@@H]2CCC[NH2+]2)n1 ZINC000414967279 385929013 /nfs/dbraw/zinc/92/90/13/385929013.db2.gz HIGPXKWNNDFFEB-GFCCVEGCSA-N 2 0 249.358 1.717 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC1CCOCC1 ZINC000122307302 385907541 /nfs/dbraw/zinc/90/75/41/385907541.db2.gz ZROPDWXAVBUZMA-ZYHUDNBSSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]C/C=C\c1ccccc1 ZINC000414876266 385908699 /nfs/dbraw/zinc/90/86/99/385908699.db2.gz LCAZATUMTDCWLC-JECSTDCCSA-N 2 0 204.317 1.884 20 0 BDADRP CCCCOCC[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000122363523 385912272 /nfs/dbraw/zinc/91/22/72/385912272.db2.gz JYSOKKVUVOIJRY-NWDGAFQWSA-N 2 0 214.353 1.472 20 0 BDADRP CCCn1nc(C)c(C[NH2+][C@H](C)CC[NH3+])c1C ZINC000414876803 385913006 /nfs/dbraw/zinc/91/30/06/385913006.db2.gz DXYMTLIKJWPBOA-SNVBAGLBSA-N 2 0 238.379 1.737 20 0 BDADRP CCC[NH2+]CCN[C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000414877521 385920860 /nfs/dbraw/zinc/92/08/60/385920860.db2.gz XSROFRYVVLSFBW-RYUDHWBXSA-N 2 0 213.369 1.106 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@@H]3CCC[NH2+]C3)C[C@@H]21 ZINC000342098413 385926288 /nfs/dbraw/zinc/92/62/88/385926288.db2.gz IHDKJKQWHYEEPL-YIYPIFLZSA-N 3 0 237.391 1.045 20 0 BDADRP [NH3+]CC1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000647812184 385863858 /nfs/dbraw/zinc/86/38/58/385863858.db2.gz GYBMQBTUKPOMPK-UHFFFAOYSA-N 3 0 239.407 1.437 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414959429 385867227 /nfs/dbraw/zinc/86/72/27/385867227.db2.gz FJVOKEVLUKCUDZ-CHWSQXEVSA-N 2 0 236.363 1.393 20 0 BDADRP Cc1cc(C)n2c(C[NH2+]C[C@@H](C)C[NH3+])cnc2n1 ZINC000414873484 385872889 /nfs/dbraw/zinc/87/28/89/385872889.db2.gz HGHNXBMXUUSHOG-VIFPVBQESA-N 2 0 247.346 1.031 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCSC1 ZINC000228556344 385878126 /nfs/dbraw/zinc/87/81/26/385878126.db2.gz LBUAYSPCHPAQSE-SRVKXCTJSA-N 2 0 228.405 1.847 20 0 BDADRP CC(C)([NH3+])CCC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000647829273 385878678 /nfs/dbraw/zinc/87/86/78/385878678.db2.gz ZHQXILNPCIZTKC-MNOVXSKESA-N 2 0 241.379 1.138 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000295193798 385988082 /nfs/dbraw/zinc/98/80/82/385988082.db2.gz JJUTZBVANJRHFH-AWEZNQCLSA-N 2 0 249.358 1.862 20 0 BDADRP Cc1cc(C)cc(C[NH2+]C[C@@H](C)C[NH3+])c1 ZINC000414881062 385989660 /nfs/dbraw/zinc/98/96/60/385989660.db2.gz RXKKRNPQDPAOSY-LBPRGKRZSA-N 2 0 206.333 1.988 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CC1(O)CCCCC1 ZINC000335042305 385935787 /nfs/dbraw/zinc/93/57/87/385935787.db2.gz JVXTUZGCLLXLLW-QWHCGFSZSA-N 2 0 240.391 1.931 20 0 BDADRP CC1([NH3+])CC[NH+](CCCc2ccncc2)CC1 ZINC000647924223 385941664 /nfs/dbraw/zinc/94/16/64/385941664.db2.gz POSAAZHXQFYNFU-UHFFFAOYSA-N 2 0 233.359 1.827 20 0 BDADRP CCc1nn(C)c(CC)c1C[NH2+][C@@H](C)CC[NH3+] ZINC000414879155 385947787 /nfs/dbraw/zinc/94/77/87/385947787.db2.gz IBRFPYQOCRQXIC-JTQLQIEISA-N 2 0 238.379 1.372 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@H](C[NH+](C)C)C1)C1CC1 ZINC000425399845 385949803 /nfs/dbraw/zinc/94/98/03/385949803.db2.gz FDGKFPTYVTURIR-DGCLKSJQSA-N 2 0 226.364 1.295 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CCCC[C@@H]1[C@H](C)O ZINC000338304735 385951917 /nfs/dbraw/zinc/95/19/17/385951917.db2.gz HKSZJMHPXDWCAF-UONOGXRCSA-N 2 0 242.407 1.954 20 0 BDADRP CC[NH+](CC)CCCN(C)C1CC(O)C1 ZINC000338299111 385960097 /nfs/dbraw/zinc/96/00/97/385960097.db2.gz XGJLDGLMAMQVFY-UHFFFAOYSA-N 2 0 214.353 1.173 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CC[C@@H](O)C2)CC1 ZINC000189282792 385972458 /nfs/dbraw/zinc/97/24/58/385972458.db2.gz BFTSVEHFKNKUDS-TZMCWYRMSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@H](CC1CCOCC1)[NH2+]C[C@@H](C)C[NH3+] ZINC000414881653 385998357 /nfs/dbraw/zinc/99/83/57/385998357.db2.gz SKKWDXSQDYECMD-WDEREUQCSA-N 2 0 214.353 1.376 20 0 BDADRP C[C@@H](CC[NH3+])[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000414881822 386004639 /nfs/dbraw/zinc/00/46/39/386004639.db2.gz LEZXLBUPUYPBBN-NSHDSACASA-N 2 0 245.330 1.094 20 0 BDADRP CC(C)[C@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000295294498 386007720 /nfs/dbraw/zinc/00/77/20/386007720.db2.gz XFOWJFLVPCEIEN-ZDUSSCGKSA-N 2 0 247.342 1.254 20 0 BDADRP COC1(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)CCCC1 ZINC000309504242 386011744 /nfs/dbraw/zinc/01/17/44/386011744.db2.gz MOAJWTLPQBCLRA-VXGBXAGGSA-N 2 0 226.364 1.615 20 0 BDADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000414117437 386012052 /nfs/dbraw/zinc/01/20/52/386012052.db2.gz SCTNAMYOPGDZIY-SYQHCUMBSA-N 2 0 242.407 1.977 20 0 BDADRP C[C@@H]([NH2+]Cc1ccc2c[nH+]cn2c1)[C@H]1CCCO1 ZINC000414176246 386019370 /nfs/dbraw/zinc/01/93/70/386019370.db2.gz HHIHATZDFNXTRJ-BXUZGUMPSA-N 2 0 245.326 1.991 20 0 BDADRP CC(C)n1cc(C[NH2+]C[C@H](C)C[NH3+])cn1 ZINC000414882832 386019577 /nfs/dbraw/zinc/01/95/77/386019577.db2.gz UQAWMLNTXBYUHR-SNVBAGLBSA-N 2 0 210.325 1.148 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)CCOC)[C@H](C)C1 ZINC000414192878 386032358 /nfs/dbraw/zinc/03/23/58/386032358.db2.gz HVIXDMZCTMQPJR-MCIONIFRSA-N 2 0 242.407 1.979 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000414201739 386038658 /nfs/dbraw/zinc/03/86/58/386038658.db2.gz YLNHWPIRVSFHAH-JHJVBQTASA-N 2 0 228.380 1.731 20 0 BDADRP C[NH2+]Cc1ccc(N[C@H]2CCC[NH2+]C2)cc1 ZINC000414979232 386044034 /nfs/dbraw/zinc/04/40/34/386044034.db2.gz UHLAXSRSRRAUIX-ZDUSSCGKSA-N 2 0 219.332 1.570 20 0 BDADRP CCc1ncc(C[NH2+]C[C@H](C)C[NH3+])s1 ZINC000414884873 386052287 /nfs/dbraw/zinc/05/22/87/386052287.db2.gz WMCOLEOWDAGOIQ-MRVPVSSYSA-N 2 0 213.350 1.390 20 0 BDADRP CC[C@H]([NH3+])C[NH2+]C[C@H](C)CC1CCOCC1 ZINC000414980460 386052957 /nfs/dbraw/zinc/05/29/57/386052957.db2.gz PLJPTFJHTWFXHZ-YPMHNXCESA-N 2 0 228.380 1.766 20 0 BDADRP Cc1n[nH]cc1C[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000334453713 386101128 /nfs/dbraw/zinc/10/11/28/386101128.db2.gz UIAWJPJEROUDGL-JTQLQIEISA-N 2 0 231.303 1.088 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414666728 386111521 /nfs/dbraw/zinc/11/15/21/386111521.db2.gz XFCZHWSMNZFQTK-LPWJVIDDSA-N 3 0 225.380 1.044 20 0 BDADRP C[NH2+][C@@H]1CCCN(C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414665599 386112963 /nfs/dbraw/zinc/11/29/63/386112963.db2.gz FCGIJGCIIJJKFN-YNEHKIRRSA-N 2 0 225.380 1.058 20 0 BDADRP COc1cc(C[NH2+]C[C@H](C)C[NH3+])cc(OC)c1 ZINC000414889557 386115841 /nfs/dbraw/zinc/11/58/41/386115841.db2.gz TXZKEDBGGBRWFV-SNVBAGLBSA-N 2 0 238.331 1.388 20 0 BDADRP Cc1csc(C[NH2+]CC[C@H]2CCC[NH2+]C2)n1 ZINC000054309205 386117495 /nfs/dbraw/zinc/11/74/95/386117495.db2.gz RTYVMTGELRVFTJ-LLVKDONJSA-N 2 0 239.388 1.931 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CCC([C@H](C)[NH3+])CC1 ZINC000414665790 386117711 /nfs/dbraw/zinc/11/77/11/386117711.db2.gz FSXVTXWWVQQYBO-WCQYABFASA-N 2 0 227.396 1.419 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+](CCO)C2CCCC2)CC[NH2+]1 ZINC000414667168 386120228 /nfs/dbraw/zinc/12/02/28/386120228.db2.gz HAUDWLLSKQLXGV-CHWSQXEVSA-N 2 0 240.391 1.611 20 0 BDADRP Cc1n[nH]cc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414980964 386059012 /nfs/dbraw/zinc/05/90/12/386059012.db2.gz XMVVQDYVNWRGBL-GFCCVEGCSA-N 2 0 222.336 1.340 20 0 BDADRP CC[C@]1(CO)CCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000189671483 386059584 /nfs/dbraw/zinc/05/95/84/386059584.db2.gz VJBQEEIQVLEXDQ-UONOGXRCSA-N 2 0 240.391 1.708 20 0 BDADRP C[C@@H](N)[C@@H]1CCCC[N@@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414648774 386064323 /nfs/dbraw/zinc/06/43/23/386064323.db2.gz BKOGQHNLHCOEAR-SYQHCUMBSA-N 2 0 239.407 1.576 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000365384068 386071663 /nfs/dbraw/zinc/07/16/63/386071663.db2.gz JNAJBRNAHHZNOH-ZIAGYGMSSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]1[NH2+]CCN(CCCC2CC[NH2+]CC2)[C@@H]1C ZINC000647941192 386080196 /nfs/dbraw/zinc/08/01/96/386080196.db2.gz CKDDCMBCZUPEOB-CHWSQXEVSA-N 2 0 239.407 1.448 20 0 BDADRP COCC[N@H+](C)CCCNCc1ccoc1C ZINC000414263900 386085113 /nfs/dbraw/zinc/08/51/13/386085113.db2.gz FNWJBQITBJGVAW-UHFFFAOYSA-N 2 0 240.347 1.646 20 0 BDADRP CCC[C@@H]1CNCC[N@@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414657330 386086354 /nfs/dbraw/zinc/08/63/54/386086354.db2.gz HQLPRJHTQKPQBF-BFHYXJOUSA-N 2 0 239.407 1.448 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414660314 386091806 /nfs/dbraw/zinc/09/18/06/386091806.db2.gz MPJQHDPHTXRTCH-AVGNSLFASA-N 2 0 225.380 1.058 20 0 BDADRP [NH3+]CC1(CN2CCC([NH2+]CC3CC3)CC2)CC1 ZINC000414660416 386091850 /nfs/dbraw/zinc/09/18/50/386091850.db2.gz OBYPBQWZGMGTPQ-UHFFFAOYSA-N 2 0 237.391 1.189 20 0 BDADRP CCC[NH+]1CCC(NC[C@@H]([NH3+])CC)CC1 ZINC000414985895 386098475 /nfs/dbraw/zinc/09/84/75/386098475.db2.gz IGLIPCRSUYBJLP-NSHDSACASA-N 2 0 213.369 1.188 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+][C@H](C)CC[NH3+])CCO1 ZINC000414888531 386098530 /nfs/dbraw/zinc/09/85/30/386098530.db2.gz FGPJBIBYASYWOS-IJLUTSLNSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@H](CC1CCOCC1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000414888479 386099739 /nfs/dbraw/zinc/09/97/39/386099739.db2.gz RYSISNKGZQHSDP-ZYHUDNBSSA-N 2 0 212.337 1.143 20 0 BDADRP COc1cc(C)c(C[NH2+][C@H](C)CC[NH3+])c(C)n1 ZINC000414888438 386100363 /nfs/dbraw/zinc/10/03/63/386100363.db2.gz RMOJGCIWHVKICK-SNVBAGLBSA-N 2 0 237.347 1.534 20 0 BDADRP CCCN(C[C@@H]([NH3+])CC(C)C)[C@@H]1CC[NH2+]C1 ZINC000414676217 386148663 /nfs/dbraw/zinc/14/86/63/386148663.db2.gz RVWPUBYCSMOFGQ-QWHCGFSZSA-N 2 0 227.396 1.434 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000414676376 386150874 /nfs/dbraw/zinc/15/08/74/386150874.db2.gz NEZXYDIWUDHEQX-QWHCGFSZSA-N 2 0 240.391 1.861 20 0 BDADRP CC(C)(C)[NH2+]CCN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000414678407 386156923 /nfs/dbraw/zinc/15/69/23/386156923.db2.gz XRSYJCYSFTVHEC-RWMBFGLXSA-N 2 0 239.407 1.434 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+](C)C[C@@H]2CCCO2)CC[NH2+]1 ZINC000235365314 386159912 /nfs/dbraw/zinc/15/99/12/386159912.db2.gz YTTYXAJJWPTPPX-UPJWGTAASA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000164635669 386170553 /nfs/dbraw/zinc/17/05/53/386170553.db2.gz LLHPGXSPCFPGKC-WUHRBBMRSA-N 2 0 226.364 1.362 20 0 BDADRP C(C[NH2+]CCC1CCOCC1)C[NH+]1CCCC1 ZINC000310410943 386178150 /nfs/dbraw/zinc/17/81/50/386178150.db2.gz LUPXTGMMCROFDE-UHFFFAOYSA-N 2 0 240.391 1.879 20 0 BDADRP C[NH+](C)C[C@H]1CCN(Cc2cncc(F)c2)C1 ZINC000275128214 386182531 /nfs/dbraw/zinc/18/25/31/386182531.db2.gz LCOHGCABFGCRKP-LLVKDONJSA-N 2 0 237.322 1.604 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCCSC1 ZINC000414996505 386185435 /nfs/dbraw/zinc/18/54/35/386185435.db2.gz OOMDOSSOJZMRKC-SZQBSXBZSA-N 2 0 240.416 1.988 20 0 BDADRP COc1ccc([C@@H](CO)[N@H+](C)CCC[NH3+])cc1 ZINC000414693351 386187062 /nfs/dbraw/zinc/18/70/62/386187062.db2.gz LYEZIEHAQVKUGG-CYBMUJFWSA-N 2 0 238.331 1.009 20 0 BDADRP CCOC1CC(C[NH2+]C2CC[NH+](CC)CC2)C1 ZINC000638290812 386128370 /nfs/dbraw/zinc/12/83/70/386128370.db2.gz KFWHFOKSDLWPLB-UHFFFAOYSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]1CN(c2ncnc3[nH]ccc32)C[C@H](C)[NH+]1C ZINC000338785980 386139685 /nfs/dbraw/zinc/13/96/85/386139685.db2.gz CRSHEXFMDXCVEZ-UWVGGRQHSA-N 2 0 245.330 1.487 20 0 BDADRP C[N@@H+]1CCN(CC[NH2+]C(C)(C)C)C(C)(C)C1 ZINC000414691943 386189480 /nfs/dbraw/zinc/18/94/80/386189480.db2.gz CFZPVSVSUBWEBJ-UHFFFAOYSA-N 2 0 227.396 1.401 20 0 BDADRP Cc1cc([C@H]2CCCN2CCC[NH3+])on1 ZINC000414703023 386211496 /nfs/dbraw/zinc/21/14/96/386211496.db2.gz LFSYCUNCFOMVCL-SNVBAGLBSA-N 2 0 209.293 1.469 20 0 BDADRP CCOC[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414707274 386216845 /nfs/dbraw/zinc/21/68/45/386216845.db2.gz NLBBKVJQJJBVPA-MGPQQGTHSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H](O)[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414712777 386229062 /nfs/dbraw/zinc/22/90/62/386229062.db2.gz OLUJMGAYDYQPAY-YVECIDJPSA-N 2 0 226.364 1.077 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCOc1ccccc1 ZINC000132406714 386235179 /nfs/dbraw/zinc/23/51/79/386235179.db2.gz QSOBLXHFWHDKKA-CHWSQXEVSA-N 2 0 234.343 1.735 20 0 BDADRP CC[C@](C)(CCO)[NH2+]C[C@@H]([NH3+])CC(C)C ZINC000414713857 386236485 /nfs/dbraw/zinc/23/64/85/386236485.db2.gz URYJMQRIXBKVSB-NWDGAFQWSA-N 2 0 216.369 1.501 20 0 BDADRP Cc1occc1CN1CC[C@@H](C[NH+](C)C)C1 ZINC000414385347 386239288 /nfs/dbraw/zinc/23/92/88/386239288.db2.gz FEZVYFCEALJWPC-LBPRGKRZSA-N 2 0 222.332 1.972 20 0 BDADRP CO[C@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414716031 386244593 /nfs/dbraw/zinc/24/45/93/386244593.db2.gz WMSUZVHOTOKHIO-UTUOFQBUSA-N 2 0 212.337 1.095 20 0 BDADRP CCC[N@H+](C[C@@H]1CCCOC1)C1CC[NH2+]CC1 ZINC000347095818 386248022 /nfs/dbraw/zinc/24/80/22/386248022.db2.gz IINVUDKFEUQODF-ZDUSSCGKSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)[NH+](C)C ZINC000353512493 386251775 /nfs/dbraw/zinc/25/17/75/386251775.db2.gz CXBKVGMKIJWWJR-RQJABVFESA-N 2 0 239.407 1.399 20 0 BDADRP CC[N@H+](CCC(=O)OC)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414695462 386194257 /nfs/dbraw/zinc/19/42/57/386194257.db2.gz UUQPYIUSICERFR-RYUDHWBXSA-N 2 0 242.363 1.260 20 0 BDADRP Cn1cncc1CC[N@@H+]1CCCC1(C)C ZINC000297970141 386290159 /nfs/dbraw/zinc/29/01/59/386290159.db2.gz XCNIFOIDZCXOEI-UHFFFAOYSA-N 2 0 207.321 1.837 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)C(C)C)C1 ZINC000336667777 386295729 /nfs/dbraw/zinc/29/57/29/386295729.db2.gz ORZRJTRQHXHYJH-QWHCGFSZSA-N 2 0 228.380 1.277 20 0 BDADRP CC[C@@H](COC)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000336731573 386325263 /nfs/dbraw/zinc/32/52/63/386325263.db2.gz KUQHIPKERJKCKP-LBPRGKRZSA-N 2 0 212.337 1.263 20 0 BDADRP C[C@@H](O)CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000336679527 386322810 /nfs/dbraw/zinc/32/28/10/386322810.db2.gz PMUHZQUHPHPPQP-CHWSQXEVSA-N 2 0 226.364 1.175 20 0 BDADRP C[C@H](c1cccc(O)c1)[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000647884683 386264446 /nfs/dbraw/zinc/26/44/46/386264446.db2.gz WXLFYJPEBSIYHQ-NEPJUHHUSA-N 2 0 234.343 1.995 20 0 BDADRP CC[C@@H]1C[C@@H](C[N@H+](C)C2CC[NH2+]CC2)CCO1 ZINC000347163267 386267857 /nfs/dbraw/zinc/26/78/57/386267857.db2.gz IPJTXCJWFNQGOG-GXTWGEPZSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000336689371 386355581 /nfs/dbraw/zinc/35/55/81/386355581.db2.gz CDPPFJITWJSRDB-NSHDSACASA-N 2 0 214.353 1.172 20 0 BDADRP COC[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000336691854 386362623 /nfs/dbraw/zinc/36/26/23/386362623.db2.gz CLHBKWRFYWRORB-OLZOCXBDSA-N 2 0 226.364 1.439 20 0 BDADRP COC[C@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000336691865 386364130 /nfs/dbraw/zinc/36/41/30/386364130.db2.gz CLHBKWRFYWRORB-STQMWFEESA-N 2 0 226.364 1.439 20 0 BDADRP CC(C)(C)[NH2+]CCN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000414749140 386365070 /nfs/dbraw/zinc/36/50/70/386365070.db2.gz JUOYCJVBPPIFGZ-TXEJJXNPSA-N 2 0 225.380 1.201 20 0 BDADRP [NH3+]CCOCC[NH+]1CCC(C2CCCC2)CC1 ZINC000647890181 386366930 /nfs/dbraw/zinc/36/69/30/386366930.db2.gz XWJGBJCZXSFANN-UHFFFAOYSA-N 2 0 240.391 1.864 20 0 BDADRP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@H](C)C[C@H]1[C@@H](C)O ZINC000414750897 386377954 /nfs/dbraw/zinc/37/79/54/386377954.db2.gz ZDDNRPZPXHNTBR-CRWXNKLISA-N 2 0 242.407 1.841 20 0 BDADRP COC[C@H]([NH2+][C@H]1CCCN(C)[C@H]1C)C1CC1 ZINC000336775233 386384890 /nfs/dbraw/zinc/38/48/90/386384890.db2.gz YKMYCWCLTTXOIG-DRZSPHRISA-N 2 0 226.364 1.484 20 0 BDADRP C[C@H](CC[NH3+])N[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000414903430 386331869 /nfs/dbraw/zinc/33/18/69/386331869.db2.gz ZQGIIGPZZGQBLB-JHJVBQTASA-N 2 0 227.396 1.624 20 0 BDADRP CC[N@@H+]1C[C@H](C)N(C[C@@H]2CC[NH2+]C2)C[C@H]1C ZINC000647989119 386336926 /nfs/dbraw/zinc/33/69/26/386336926.db2.gz LCKBIKAKBAVQCX-FRRDWIJNSA-N 2 0 225.380 1.010 20 0 BDADRP CC[C@@H]1C[C@H](C[N@H+](C)C2CC([NH3+])C2)CCO1 ZINC000414768077 386443552 /nfs/dbraw/zinc/44/35/52/386443552.db2.gz HEWVPTLLSVDGHJ-IKWCTNDRSA-N 2 0 226.364 1.613 20 0 BDADRP C[C@H](CCC1CC1)[NH2+]C[C@@H](O)CN(C)C ZINC000336754243 386444157 /nfs/dbraw/zinc/44/41/57/386444157.db2.gz ICVAWAFHJBCLHQ-ZYHUDNBSSA-N 2 0 214.353 1.077 20 0 BDADRP c1ccc([C@@H]2C[NH2+]CCN2C[C@H]2CC[NH2+]C2)cc1 ZINC000647992616 386447037 /nfs/dbraw/zinc/44/70/37/386447037.db2.gz RZWDVTNVNKMEIY-ZFWWWQNUSA-N 2 0 245.370 1.242 20 0 BDADRP C([NH2+][C@H]1CCCC12CCOCC2)[C@H]1CC[NH2+]C1 ZINC000647992574 386447733 /nfs/dbraw/zinc/44/77/33/386447733.db2.gz PKPXTYUURNKMRD-STQMWFEESA-N 2 0 238.375 1.535 20 0 BDADRP CC(C)C[C@H]([NH3+])c1noc(CCn2ccnc2)n1 ZINC000339387799 386397263 /nfs/dbraw/zinc/39/72/63/386397263.db2.gz PWNQGXSGLIONBT-JTQLQIEISA-N 2 0 249.318 1.555 20 0 BDADRP C[C@@H]([NH3+])CN1CC[C@@H](CNc2ccccn2)C1 ZINC000442643636 386397252 /nfs/dbraw/zinc/39/72/52/386397252.db2.gz ANRPXBBJLSQVFT-NEPJUHHUSA-N 3 0 234.347 1.163 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1C[C@H](C)[NH2+]C[C@H]1C ZINC000414760161 386414230 /nfs/dbraw/zinc/41/42/30/386414230.db2.gz GLWHNIOBLBIJGR-TUAOUCFPSA-N 2 0 213.369 1.042 20 0 BDADRP CCOCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000093488821 386416057 /nfs/dbraw/zinc/41/60/57/386416057.db2.gz IXRYQUSXQHHMJW-MELADBBJSA-N 2 0 240.391 1.923 20 0 BDADRP Cn1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cn1 ZINC000093452797 386416837 /nfs/dbraw/zinc/41/68/37/386416837.db2.gz BOUIWNRFHBSXAA-HZSPNIEDSA-N 2 0 248.374 1.430 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000414766903 386435547 /nfs/dbraw/zinc/43/55/47/386435547.db2.gz IRMYMDFNGMVHQS-RWMBFGLXSA-N 2 0 227.396 1.419 20 0 BDADRP CCc1nn(C)c(CC)c1C[NH2+]CCCC[NH3+] ZINC000414910336 386436238 /nfs/dbraw/zinc/43/62/38/386436238.db2.gz SCRNSGMAPRTTQP-UHFFFAOYSA-N 2 0 238.379 1.373 20 0 BDADRP C[C@H]1CCN(CC[NH2+]C(C)(C)C)[C@H](C[NH3+])C1 ZINC000414766524 386436564 /nfs/dbraw/zinc/43/65/64/386436564.db2.gz HTFQTRWNRTVRPO-RYUDHWBXSA-N 2 0 227.396 1.434 20 0 BDADRP CC[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000647934506 386475747 /nfs/dbraw/zinc/47/57/47/386475747.db2.gz HKURNNKAVCNNPO-ZIAGYGMSSA-N 3 0 239.407 1.435 20 0 BDADRP CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415042536 386528848 /nfs/dbraw/zinc/52/88/48/386528848.db2.gz SPXAUKPIEYFLBM-IEECTRCBSA-N 2 0 208.349 1.619 20 0 BDADRP CC[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000647934662 386483891 /nfs/dbraw/zinc/48/38/91/386483891.db2.gz LZONIMLFNQQUPU-MCIONIFRSA-N 3 0 239.407 1.435 20 0 BDADRP [NH3+]CC1(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000414777515 386486398 /nfs/dbraw/zinc/48/63/98/386486398.db2.gz XXKRGKAGFWAGTQ-ZDUSSCGKSA-N 2 0 237.391 1.047 20 0 BDADRP CC1(C[NH2+]C[C@H]2CCSC2)CC[NH2+]CC1 ZINC000414913289 386487094 /nfs/dbraw/zinc/48/70/94/386487094.db2.gz VYGGFXHMTGERON-LLVKDONJSA-N 2 0 228.405 1.719 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000417350658 386487506 /nfs/dbraw/zinc/48/75/06/386487506.db2.gz AULVDFGOAFLERG-VEGXAWMVSA-N 2 0 226.364 1.218 20 0 BDADRP CC[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CC[C@H]1[NH3+] ZINC000647935086 386489675 /nfs/dbraw/zinc/48/96/75/386489675.db2.gz ZAOBPOACPXQZKR-JHJVBQTASA-N 2 0 225.380 1.045 20 0 BDADRP C[C@@H]1C[C@@H]1C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414780340 386494388 /nfs/dbraw/zinc/49/43/88/386494388.db2.gz LIKUCWYIHKKDKM-UPJWGTAASA-N 2 0 238.375 1.330 20 0 BDADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2cncc(F)c2)C1 ZINC000415013591 386494829 /nfs/dbraw/zinc/49/48/29/386494829.db2.gz YNAVYEWABIKXRW-GWCFXTLKSA-N 2 0 237.322 1.828 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000519596310 386496738 /nfs/dbraw/zinc/49/67/38/386496738.db2.gz OTINJBCCHAZHRC-JHJVBQTASA-N 3 0 225.380 1.236 20 0 BDADRP CN(Cc1cccc2c1OCCO2)C1CC([NH3+])C1 ZINC000414782130 386504402 /nfs/dbraw/zinc/50/44/02/386504402.db2.gz XACJMMIEQVQYQY-UHFFFAOYSA-N 2 0 248.326 1.379 20 0 BDADRP Cn1ncc(Cl)c1C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415051908 386507764 /nfs/dbraw/zinc/50/77/64/386507764.db2.gz ZZBGAFYEXSDVIX-IUCAKERBSA-N 2 0 242.754 1.291 20 0 BDADRP C([C@@H]1CC[NH2+]C1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899190 386508737 /nfs/dbraw/zinc/50/87/37/386508737.db2.gz CGSUNCAMWPRBDG-MCIONIFRSA-N 2 0 237.391 1.060 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000415021366 386510842 /nfs/dbraw/zinc/51/08/42/386510842.db2.gz YJXWNTHTOWULHV-UPJWGTAASA-N 3 0 227.396 1.482 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415021361 386511022 /nfs/dbraw/zinc/51/10/22/386511022.db2.gz YJXWNTHTOWULHV-AGIUHOORSA-N 3 0 227.396 1.482 20 0 BDADRP Cn1cccc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278468198 386529937 /nfs/dbraw/zinc/52/99/37/386529937.db2.gz GNPFHINTJZLGLT-UHFFFAOYSA-N 2 0 247.386 1.989 20 0 BDADRP CN1CCC([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000415024639 386513136 /nfs/dbraw/zinc/51/31/36/386513136.db2.gz NVGQQYWRWUADQA-JOCQHMNTSA-N 2 0 239.407 1.435 20 0 BDADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccsc2)C1 ZINC000415027618 386515858 /nfs/dbraw/zinc/51/58/58/386515858.db2.gz BIBQLVLTLOUTSA-KOLCDFICSA-N 2 0 210.346 1.965 20 0 BDADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CCCNC2)CC1 ZINC000415027767 386516383 /nfs/dbraw/zinc/51/63/83/386516383.db2.gz WWDUUCUPBNIKMP-JHJVBQTASA-N 2 0 225.380 1.093 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)[C@H](C)C1 ZINC000415029181 386517171 /nfs/dbraw/zinc/51/71/71/386517171.db2.gz DMGFGSBGALVZHW-RQJABVFESA-N 3 0 239.407 1.434 20 0 BDADRP C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415029327 386517354 /nfs/dbraw/zinc/51/73/54/386517354.db2.gz ASGJZXBJDSOONY-UTUOFQBUSA-N 2 0 212.337 1.143 20 0 BDADRP C1CC1[C@H]1CCCC[C@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415043252 386530150 /nfs/dbraw/zinc/53/01/50/386530150.db2.gz TWLHPCAYDZADDD-RGDJUOJXSA-N 2 0 220.360 1.763 20 0 BDADRP COC[C@H](C)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000525865540 386518146 /nfs/dbraw/zinc/51/81/46/386518146.db2.gz NYJYILXKUWPZGO-GFCCVEGCSA-N 2 0 228.380 1.543 20 0 BDADRP CC(C)CC[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415033168 386518374 /nfs/dbraw/zinc/51/83/74/386518374.db2.gz GQIIZVIDJNEAJK-CHWSQXEVSA-N 2 0 228.380 1.779 20 0 BDADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000415031103 386518821 /nfs/dbraw/zinc/51/88/21/386518821.db2.gz GJAIEEUCJBRSJJ-QWHCGFSZSA-N 2 0 204.317 1.904 20 0 BDADRP CC(C)CCC[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415030064 386519882 /nfs/dbraw/zinc/51/98/82/386519882.db2.gz BSDCSGFNZUQQOQ-LBPRGKRZSA-N 2 0 214.353 1.391 20 0 BDADRP COc1ccccc1C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415031918 386519990 /nfs/dbraw/zinc/51/99/90/386519990.db2.gz HKEXERUQURGRRY-WCQYABFASA-N 2 0 234.343 1.912 20 0 BDADRP CCCC[C@@H](CC)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415032118 386520157 /nfs/dbraw/zinc/52/01/57/386520157.db2.gz FOCGVMHJYSIBMD-CHWSQXEVSA-N 2 0 228.380 1.923 20 0 BDADRP CCCC[C@H](C)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415035971 386523994 /nfs/dbraw/zinc/52/39/94/386523994.db2.gz JMDQVDROYMRDPJ-NWDGAFQWSA-N 2 0 214.353 1.533 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C1 ZINC000415042075 386527774 /nfs/dbraw/zinc/52/77/74/386527774.db2.gz QEADATFQGKNCQU-WOPDTQHZSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1cccn1C ZINC000290645744 386465762 /nfs/dbraw/zinc/46/57/62/386465762.db2.gz YVTNWSSJLZHSDB-JSGCOSHPSA-N 2 0 235.375 1.797 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000415076754 386577102 /nfs/dbraw/zinc/57/71/02/386577102.db2.gz BDCLBIHDISQVFH-REWJHTLYSA-N 2 0 240.391 1.907 20 0 BDADRP COC[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977536 386578607 /nfs/dbraw/zinc/57/86/07/386578607.db2.gz DBRVSPFNYLFKKP-MJBXVCDLSA-N 2 0 240.391 1.733 20 0 BDADRP C(C[C@H]1CCOC1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415076241 386579543 /nfs/dbraw/zinc/57/95/43/386579543.db2.gz RWHFNQODAPUKNF-RYUDHWBXSA-N 2 0 212.337 1.145 20 0 BDADRP CCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000343245318 386579737 /nfs/dbraw/zinc/57/97/37/386579737.db2.gz BUSUUASGNMBQRS-YNEHKIRRSA-N 2 0 226.364 1.533 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CN[C@@H]1CCC[NH2+]CC1 ZINC000415076366 386581723 /nfs/dbraw/zinc/58/17/23/386581723.db2.gz GIAAQCYMMHTRQX-ZIAGYGMSSA-N 3 0 239.407 1.593 20 0 BDADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000647905007 386585142 /nfs/dbraw/zinc/58/51/42/386585142.db2.gz DBJUDPFTICWRPT-JSGCOSHPSA-N 3 0 239.407 1.435 20 0 BDADRP Cc1ccccc1OCC[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC000415077772 386586035 /nfs/dbraw/zinc/58/60/35/386586035.db2.gz FJYAUCUJOJODNU-OAHLLOKOSA-N 2 0 248.370 1.963 20 0 BDADRP CSCCC[NH2+][C@H](C)CCCC[NH3+] ZINC000336644407 386586831 /nfs/dbraw/zinc/58/68/31/386586831.db2.gz PQJAWDZJWSVPGU-SNVBAGLBSA-N 2 0 204.383 1.847 20 0 BDADRP Cc1nc2ccccn2c1CNCC(C)(C)[NH3+] ZINC000414799824 386594014 /nfs/dbraw/zinc/59/40/14/386594014.db2.gz HJFHCNNPTWELNJ-UHFFFAOYSA-N 2 0 232.331 1.470 20 0 BDADRP C([NH2+]C[C@H]1C[NH2+]CCCO1)C1CCCCC1 ZINC000415045198 386531739 /nfs/dbraw/zinc/53/17/39/386531739.db2.gz SXPIFAPIEWVWRK-CYBMUJFWSA-N 2 0 226.364 1.535 20 0 BDADRP C=Cn1cc(CN2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cn1 ZINC000278499409 386535212 /nfs/dbraw/zinc/53/52/12/386535212.db2.gz NIEDGBFZBNVGIU-KGLIPLIRSA-N 2 0 246.358 1.510 20 0 BDADRP CC(C)(C)C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414789204 386535671 /nfs/dbraw/zinc/53/56/71/386535671.db2.gz XYTBQJFGHSSJJU-LBPRGKRZSA-N 2 0 240.391 1.720 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@@](C)(O)C2)[C@@H](C)C1 ZINC000417360155 386543371 /nfs/dbraw/zinc/54/33/71/386543371.db2.gz XDAAUNDTSVWJGL-WUHRBBMRSA-N 2 0 226.364 1.220 20 0 BDADRP CC[C@H]1C[C@@H](C[NH2+]CCC[NH2+]C2CC2)CCO1 ZINC000415066938 386546812 /nfs/dbraw/zinc/54/68/12/386546812.db2.gz JQTTUBCWHKSOQD-JSGCOSHPSA-N 2 0 240.391 1.923 20 0 BDADRP CC(C)[C@H]1CCC[C@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415065918 386546899 /nfs/dbraw/zinc/54/68/99/386546899.db2.gz SPXAUKPIEYFLBM-LBELIVKGSA-N 2 0 208.349 1.619 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@H](CN)C2CCCC2)CC[NH2+]1 ZINC000415065008 386547821 /nfs/dbraw/zinc/54/78/21/386547821.db2.gz LYRGFRDPPDKPFL-YRGRVCCFSA-N 2 0 239.407 1.482 20 0 BDADRP CC[C@H](C[N@H+](C)C[C@H](O)C[NH3+])c1ccccc1 ZINC000415067772 386549185 /nfs/dbraw/zinc/54/91/85/386549185.db2.gz LMKOASYGEAHEMI-TZMCWYRMSA-N 2 0 236.359 1.432 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCC2CC(O)C2)C1 ZINC000519762331 386551469 /nfs/dbraw/zinc/55/14/69/386551469.db2.gz AXPHYGUBFQLJIA-BFUDSRACSA-N 2 0 212.337 1.007 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCC2CC(O)C2)C1 ZINC000519762366 386551972 /nfs/dbraw/zinc/55/19/72/386551972.db2.gz AXPHYGUBFQLJIA-LVFLEHKBSA-N 2 0 212.337 1.007 20 0 BDADRP CC[NH+](CC)CCN[C@H]1C[N@H+](CC)C[C@H]1C ZINC000336780471 386552615 /nfs/dbraw/zinc/55/26/15/386552615.db2.gz RKQDHIZCNXUNFI-OLZOCXBDSA-N 2 0 227.396 1.258 20 0 BDADRP CC[N@@H+]1CC[C@H](NCCC[NH2+]C2CC2)[C@H](C)C1 ZINC000415069196 386552716 /nfs/dbraw/zinc/55/27/16/386552716.db2.gz OHZICJQSATYZJC-OCCSQVGLSA-N 2 0 239.407 1.448 20 0 BDADRP CC(C)[NH2+]CCCNC(=O)CCC(C)(C)[NH3+] ZINC000647760288 386555478 /nfs/dbraw/zinc/55/54/78/386555478.db2.gz XRWIRMFRDFJOKA-UHFFFAOYSA-N 2 0 229.368 1.008 20 0 BDADRP Cn1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cn1 ZINC000063197959 386555601 /nfs/dbraw/zinc/55/56/01/386555601.db2.gz RKUPVEJQJWVVIM-CQSZACIVSA-N 2 0 248.374 1.384 20 0 BDADRP C[C@]1(C[NH2+]CC2(CCO)CCCC2)CC[NH2+]C1 ZINC000415075622 386568807 /nfs/dbraw/zinc/56/88/07/386568807.db2.gz BTXCEWHNYZUQFE-ZDUSSCGKSA-N 2 0 240.391 1.518 20 0 BDADRP CC[C@@H]([NH2+]C1CC[NH2+]CC1)[C@H]1CCCO1 ZINC000415075839 386569630 /nfs/dbraw/zinc/56/96/30/386569630.db2.gz FQMOBQFZUBXMLT-VXGBXAGGSA-N 2 0 212.337 1.286 20 0 BDADRP [NH3+]C1CCC([NH2+][C@H](CCO)c2ccccc2)CC1 ZINC000415112655 386621736 /nfs/dbraw/zinc/62/17/36/386621736.db2.gz CZNFWIYGBSKOQR-YMAMQOFZSA-N 2 0 248.370 1.970 20 0 BDADRP CC(C)(C)[NH2+]CCNC[C@@H]1[NH2+]CCCC1(C)C ZINC000414924854 386631272 /nfs/dbraw/zinc/63/12/72/386631272.db2.gz HWQALMWBMHFNLM-LBPRGKRZSA-N 2 0 241.423 1.742 20 0 BDADRP C[C@@]1(C[NH2+]Cc2cccs2)CC[NH2+]C1 ZINC000062911362 386655854 /nfs/dbraw/zinc/65/58/54/386655854.db2.gz XAAGUDDLPRVIFP-LLVKDONJSA-N 2 0 210.346 1.837 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@@H](CF)C2)CC[NH2+]1 ZINC000415120678 386633757 /nfs/dbraw/zinc/63/37/57/386633757.db2.gz JAUOZOPUVYZGPF-UTUOFQBUSA-N 2 0 230.327 1.045 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647906699 386639570 /nfs/dbraw/zinc/63/95/70/386639570.db2.gz MEWQTUUOAKIXCU-TZMCWYRMSA-N 3 0 239.407 1.435 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](CO)[C@@H]2C)CC[NH2+]1 ZINC000415133974 386640379 /nfs/dbraw/zinc/64/03/79/386640379.db2.gz DAJKXHBNXUQZON-RQJABVFESA-N 2 0 240.391 1.467 20 0 BDADRP CCCC[C@H](CN)[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414814570 386645490 /nfs/dbraw/zinc/64/54/90/386645490.db2.gz OBQWLINHRMOBQT-YNEHKIRRSA-N 2 0 227.396 1.482 20 0 BDADRP CO[C@H](C)CC[NH2+][C@H](C)CCCC[NH3+] ZINC000336644958 386602630 /nfs/dbraw/zinc/60/26/30/386602630.db2.gz BCXKEYVUBZQSTP-GHMZBOCLSA-N 2 0 202.342 1.519 20 0 BDADRP CC[C@H]([NH2+]CCC[NH3+])c1c(C)noc1C ZINC000415085704 386605729 /nfs/dbraw/zinc/60/57/29/386605729.db2.gz IQUYITIZFBCOKH-JTQLQIEISA-N 2 0 211.309 1.681 20 0 BDADRP CCC(CC)(CCO)C[NH2+]CC1CC[NH2+]CC1 ZINC000415090329 386609789 /nfs/dbraw/zinc/60/97/89/386609789.db2.gz YZTBJGHVGRWADZ-UHFFFAOYSA-N 2 0 242.407 1.764 20 0 BDADRP C[C@@H](C(=O)Nc1ccc2c(c1)C[NH2+]C2)[C@H](C)[NH3+] ZINC000335492786 386611958 /nfs/dbraw/zinc/61/19/58/386611958.db2.gz BWMXRARJKNNZLW-BDAKNGLRSA-N 2 0 233.315 1.212 20 0 BDADRP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000040458080 386660488 /nfs/dbraw/zinc/66/04/88/386660488.db2.gz LRTQEHOYUAUJBL-SNVBAGLBSA-N 2 0 243.395 1.064 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1NCc1ccc2c[nH+]cn2c1 ZINC000335530632 386680656 /nfs/dbraw/zinc/68/06/56/386680656.db2.gz AWNZLUPDCQLRET-STQMWFEESA-N 2 0 230.315 1.304 20 0 BDADRP CC(C)(C)C[C@@H]1CCC[N@@H+]1CCOCC[NH3+] ZINC000357071093 386709233 /nfs/dbraw/zinc/70/92/33/386709233.db2.gz BMLFNCRHOWLJFZ-LBPRGKRZSA-N 2 0 228.380 1.862 20 0 BDADRP Cn1ncc(Cl)c1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414825463 386690426 /nfs/dbraw/zinc/69/04/26/386690426.db2.gz CGKJYDOJQMSLGP-SECBINFHSA-N 2 0 242.754 1.163 20 0 BDADRP CCC[NH+]1CCC(NCC[NH2+]CC)CC1 ZINC000414828985 386702931 /nfs/dbraw/zinc/70/29/31/386702931.db2.gz LUAXDMFFIFTUIJ-UHFFFAOYSA-N 2 0 213.369 1.060 20 0 BDADRP C[C@H](NCc1ccc(C[NH3+])cc1)[C@@H]1CCC[NH2+]1 ZINC000520584253 386704335 /nfs/dbraw/zinc/70/43/35/386704335.db2.gz LIZGBFYLTVVBTR-FZMZJTMJSA-N 2 0 233.359 1.375 20 0 BDADRP COCC(C)(C)C[NH2+]C[C@@H](N)c1ccccc1 ZINC000414830208 386707440 /nfs/dbraw/zinc/70/74/40/386707440.db2.gz LUBRKHUVIQPWHW-CYBMUJFWSA-N 2 0 236.359 1.949 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)CCO1 ZINC000414837130 386734835 /nfs/dbraw/zinc/73/48/35/386734835.db2.gz VPBDKWHBEDBUSO-MJBXVCDLSA-N 2 0 240.391 1.779 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC000247483497 386720359 /nfs/dbraw/zinc/72/03/59/386720359.db2.gz SWHRMLJCYZXOFU-DZGCQCFKSA-N 2 0 248.370 1.604 20 0 BDADRP Cc1c[nH]nc1C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335545174 386729827 /nfs/dbraw/zinc/72/98/27/386729827.db2.gz XOYPQSXKYRLNNR-GFCCVEGCSA-N 2 0 248.374 1.682 20 0 BDADRP Cc1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)nc1 ZINC000414839870 386745553 /nfs/dbraw/zinc/74/55/53/386745553.db2.gz WRXLUMTWQCNQBB-LBPRGKRZSA-N 2 0 219.332 1.479 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+]C[C@@H]2CCC[NH2+]2)CCO1 ZINC000414841324 386753689 /nfs/dbraw/zinc/75/36/89/386753689.db2.gz HTYMCSWZVSEQCP-FRRDWIJNSA-N 2 0 226.364 1.533 20 0 BDADRP [NH3+]C1(C[NH2+]C[C@@H]2CCSC2)CCCCC1 ZINC000414842870 386755268 /nfs/dbraw/zinc/75/52/68/386755268.db2.gz NFHUZVDGQGLNNQ-NSHDSACASA-N 2 0 228.405 1.991 20 0 BDADRP CC(C)OCC(C)(C)[NH2+]CC1CC[NH2+]CC1 ZINC000396435888 386761778 /nfs/dbraw/zinc/76/17/78/386761778.db2.gz ZECMEILJFFCCKA-UHFFFAOYSA-N 2 0 228.380 1.779 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000192129224 386743652 /nfs/dbraw/zinc/74/36/52/386743652.db2.gz PIUIYZIGMLEROC-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)C[C@@H](C)[NH3+] ZINC000417832319 386794511 /nfs/dbraw/zinc/79/45/11/386794511.db2.gz LFHDPVSXMCGGFO-ZWNOBZJWSA-N 2 0 249.358 1.102 20 0 BDADRP C[C@@H]([NH3+])CC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000357369182 386770723 /nfs/dbraw/zinc/77/07/23/386770723.db2.gz XKZXXTBIXBFUCT-LLVKDONJSA-N 2 0 241.379 1.091 20 0 BDADRP C[NH2+][C@H]1CCCN(CCCOC(C)C)C1 ZINC000336665903 386774295 /nfs/dbraw/zinc/77/42/95/386774295.db2.gz FCCWFARFBRONDC-LBPRGKRZSA-N 2 0 214.353 1.485 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000396601318 386787222 /nfs/dbraw/zinc/78/72/22/386787222.db2.gz XKGPKQXVEHNOSD-DGAVXFQQSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000414935796 386823423 /nfs/dbraw/zinc/82/34/23/386823423.db2.gz CLBDUKNCVVPAEB-FVCCEPFGSA-N 2 0 225.380 1.247 20 0 BDADRP CC(C)[NH2+]C1(CO)CC[NH+](CC2CCC2)CC1 ZINC000571175733 386804002 /nfs/dbraw/zinc/80/40/02/386804002.db2.gz LOGHJOJLQKLKKR-UHFFFAOYSA-N 2 0 240.391 1.611 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)CCCC[NH3+] ZINC000336671350 386812588 /nfs/dbraw/zinc/81/25/88/386812588.db2.gz SEXDZAUWRGPSCR-ZDUSSCGKSA-N 3 0 229.412 1.824 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414847425 386835316 /nfs/dbraw/zinc/83/53/16/386835316.db2.gz VUYNYIHHKAKXDC-CHWSQXEVSA-N 3 0 227.396 1.339 20 0 BDADRP C(C[N@@H+]1CC[C@@]2(CCOC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000334785345 386845753 /nfs/dbraw/zinc/84/57/53/386845753.db2.gz OMDSCAFZWAFUIS-UONOGXRCSA-N 2 0 238.375 1.489 20 0 BDADRP C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)[C@H]1CC[NH2+]C1 ZINC000334786484 386846894 /nfs/dbraw/zinc/84/68/94/386846894.db2.gz SMFDKLGBROPJSY-CYBMUJFWSA-N 3 0 237.391 1.062 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)CCC[NH3+])C1(C)C ZINC000336674643 386847147 /nfs/dbraw/zinc/84/71/47/386847147.db2.gz UWNUCZMFRXESJO-QJPTWQEYSA-N 2 0 228.380 1.907 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000331394016 386847377 /nfs/dbraw/zinc/84/73/77/386847377.db2.gz BLYZUHUSNWTYES-WUHRBBMRSA-N 2 0 226.364 1.397 20 0 BDADRP Cc1ncccc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000334845198 386892715 /nfs/dbraw/zinc/89/27/15/386892715.db2.gz JOFPFTFREVLZSF-QWHCGFSZSA-N 2 0 219.332 1.750 20 0 BDADRP C[C@@H](C[NH3+])N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000414942725 386894401 /nfs/dbraw/zinc/89/44/01/386894401.db2.gz KODUQBAEAAICHC-YDHLFZDLSA-N 2 0 247.386 1.759 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cccc(N)c2)CC[C@H]1[NH3+] ZINC000335747858 386871279 /nfs/dbraw/zinc/87/12/79/386871279.db2.gz VSULNPLIEPXWJD-ZWNOBZJWSA-N 2 0 219.332 1.438 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)N[C@H]1C[NH2+]CC[C@H]1C ZINC000414940707 386873042 /nfs/dbraw/zinc/87/30/42/386873042.db2.gz XTUGKZYQJVYWOX-NDBYEHHHSA-N 2 0 225.380 1.105 20 0 BDADRP [NH3+]C1CCC([NH2+]CC2([NH3+])CCCCC2)CC1 ZINC000334836720 386878838 /nfs/dbraw/zinc/87/88/38/386878838.db2.gz IMECQVOJWCXCOA-UHFFFAOYSA-N 3 0 225.380 1.508 20 0 BDADRP C[C@@H]1C[NH+](CCC2CC[NH2+]CC2)C[C@@H](C)N1 ZINC000335758843 386886673 /nfs/dbraw/zinc/88/66/73/386886673.db2.gz HNWDHYRSLKMZGZ-VXGBXAGGSA-N 2 0 225.380 1.058 20 0 BDADRP CC1(C)CCC[NH2+][C@H]1C[NH2+][C@H]1CCCOCC1 ZINC000334862268 386914793 /nfs/dbraw/zinc/91/47/93/386914793.db2.gz JQBCZZGPQATRII-STQMWFEESA-N 2 0 240.391 1.923 20 0 BDADRP COC[C@]1(C[NH2+][C@H]2CCCC[C@@H]2C)CCC[NH2+]1 ZINC000414942242 386901002 /nfs/dbraw/zinc/90/10/02/386901002.db2.gz JVIHAXWYQFRPDX-MELADBBJSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000334853574 386903996 /nfs/dbraw/zinc/90/39/96/386903996.db2.gz DTBQVMNIYBOVLG-GXFFZTMASA-N 2 0 244.342 1.651 20 0 BDADRP CC(C)([NH3+])CN1CCO[C@H](C2CCC2)C1 ZINC000334853369 386905018 /nfs/dbraw/zinc/90/50/18/386905018.db2.gz KEVBFEJOPZTLMO-NSHDSACASA-N 2 0 212.337 1.225 20 0 BDADRP [NH3+][C@@H]1C[C@H](N[C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000332037786 386946785 /nfs/dbraw/zinc/94/67/85/386946785.db2.gz XGXLMGXNMSKJDI-GDLCADMTSA-N 2 0 231.343 1.473 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]Cc2cccs2)CC[NH2+]1 ZINC000334865349 386922028 /nfs/dbraw/zinc/92/20/28/386922028.db2.gz STOZXRAPMPTEPT-UWVGGRQHSA-N 2 0 210.346 1.978 20 0 BDADRP CO[C@]1(C)C[C@H]([NH2+][C@@H]2CN(C)C[C@H]2C)C1(C)C ZINC000358396808 386947357 /nfs/dbraw/zinc/94/73/57/386947357.db2.gz JSXVSGDFKHZAAA-NRWUCQMLSA-N 2 0 240.391 1.730 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000398616914 386926193 /nfs/dbraw/zinc/92/61/93/386926193.db2.gz SPHQPHVFBSXHKP-AVGNSLFASA-N 2 0 228.380 1.658 20 0 BDADRP C[C@H](CCO)C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000331958999 386929817 /nfs/dbraw/zinc/92/98/17/386929817.db2.gz KBEXZNOSUMUVBE-UTUOFQBUSA-N 2 0 214.353 1.255 20 0 BDADRP C[C@]1(C[NH2+]C2CCSCC2)CCC[NH2+]C1 ZINC000334873697 386935608 /nfs/dbraw/zinc/93/56/08/386935608.db2.gz IHHJWVLJODJBFH-LBPRGKRZSA-N 2 0 228.405 1.861 20 0 BDADRP CC1(C)CCCC[C@H]1[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000334875862 386936796 /nfs/dbraw/zinc/93/67/96/386936796.db2.gz XVZHPKNTNSMLAG-CHWSQXEVSA-N 2 0 240.391 1.923 20 0 BDADRP CCOCCC1(C[NH2+][C@H]2CN(C)C[C@H]2C)CC1 ZINC000358345776 386938638 /nfs/dbraw/zinc/93/86/38/386938638.db2.gz OQNOXWFDAOOVCS-OLZOCXBDSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H](C[NH3+])N[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000332002851 386939508 /nfs/dbraw/zinc/93/95/08/386939508.db2.gz OUNVJDGSQYMXES-QJPTWQEYSA-N 2 0 213.369 1.234 20 0 BDADRP Cc1ccc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)nc1 ZINC000162186533 386944619 /nfs/dbraw/zinc/94/46/19/386944619.db2.gz BBFMODDXZNQUIC-VXGBXAGGSA-N 2 0 219.332 1.559 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000332248461 386968569 /nfs/dbraw/zinc/96/85/69/386968569.db2.gz XQAMMTMTDIDGGE-SYQHCUMBSA-N 2 0 240.391 1.787 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2CCCCC[C@H]2[NH3+])CC[NH2+]1 ZINC000332238088 386968760 /nfs/dbraw/zinc/96/87/60/386968760.db2.gz HRTWHWUFFBMFNH-FDYHWXHSSA-N 2 0 225.380 1.377 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000332345054 386971874 /nfs/dbraw/zinc/97/18/74/386971874.db2.gz OGLQDHUGMKQGRF-BFHYXJOUSA-N 3 0 239.407 1.626 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000332583620 386993083 /nfs/dbraw/zinc/99/30/83/386993083.db2.gz KCWBFXZBLHOQJB-CYZMBNFOSA-N 2 0 248.374 1.374 20 0 BDADRP C[C@@H](CN[C@@H](C)[C@H]1CCCC[NH2+]1)[N@H+](C)C1CC1 ZINC000395205994 386998624 /nfs/dbraw/zinc/99/86/24/386998624.db2.gz ONNBQKKKQUOKAJ-SGMGOOAPSA-N 2 0 239.407 1.589 20 0 BDADRP CCC[C@H](O)C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000332055250 386949563 /nfs/dbraw/zinc/94/95/63/386949563.db2.gz XBJZCIJQECZXGN-SRVKXCTJSA-N 2 0 214.353 1.397 20 0 BDADRP C[N@H+](CCC1CC[NH2+]CC1)Cc1cnccn1 ZINC000359214542 387066638 /nfs/dbraw/zinc/06/66/38/387066638.db2.gz JKPSIOAVCAGXPH-UHFFFAOYSA-N 2 0 234.347 1.298 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@](C)(O)C2)[C@@H]2CCC[C@@H]21 ZINC000417411848 387046070 /nfs/dbraw/zinc/04/60/70/387046070.db2.gz WXINJUWGHVYFDL-HTVCTNPSSA-N 2 0 238.375 1.362 20 0 BDADRP C[C@H]([NH3+])C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000334966814 387048550 /nfs/dbraw/zinc/04/85/50/387048550.db2.gz GVJQVNWIFQWMML-CMPLNLGQSA-N 2 0 212.337 1.082 20 0 BDADRP CC[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000334967293 387050579 /nfs/dbraw/zinc/05/05/79/387050579.db2.gz IYFLBNGENUXWME-NEPJUHHUSA-N 2 0 212.337 1.225 20 0 BDADRP CCC[C@H]1C[NH2+]CCN1C[C@H]1CCC[NH2+]C1 ZINC000359055236 387051170 /nfs/dbraw/zinc/05/11/70/387051170.db2.gz KMYGOUYKDFMSBS-STQMWFEESA-N 2 0 225.380 1.060 20 0 BDADRP CC(C)[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000334969151 387052083 /nfs/dbraw/zinc/05/20/83/387052083.db2.gz OUXALMQDADGQPY-STQMWFEESA-N 2 0 226.364 1.613 20 0 BDADRP C[C@@H]([NH2+]CCO)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185763869 387058786 /nfs/dbraw/zinc/05/87/86/387058786.db2.gz CEPUASABVJAJSO-VXGBXAGGSA-N 2 0 226.364 1.221 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000333328224 387029023 /nfs/dbraw/zinc/02/90/23/387029023.db2.gz VRYVJRMXTKUFJI-NEPJUHHUSA-N 2 0 238.375 1.399 20 0 BDADRP C(CN(C1CC1)[C@@H]1CC[NH2+]C1)C1CC[NH2+]CC1 ZINC000359223293 387069918 /nfs/dbraw/zinc/06/99/18/387069918.db2.gz RBLOIUYQAHLHPR-CQSZACIVSA-N 2 0 237.391 1.202 20 0 BDADRP CC(C)[C@@](C)(CN)[NH2+]CCC1CC[NH2+]CC1 ZINC000359229578 387070856 /nfs/dbraw/zinc/07/08/56/387070856.db2.gz YDJRCLUGFCIZGS-CYBMUJFWSA-N 2 0 227.396 1.339 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000126912821 387075552 /nfs/dbraw/zinc/07/55/52/387075552.db2.gz GVHVETQWFJFVQT-FZMZJTMJSA-N 2 0 246.354 1.791 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@@H](C)C[C@@H](C)[NH3+] ZINC000423298895 387130678 /nfs/dbraw/zinc/13/06/78/387130678.db2.gz PCNITGJSGSHZRP-OUAUKWLOSA-N 2 0 201.358 1.219 20 0 BDADRP Cn1cc(CC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cn1 ZINC000334994100 387084337 /nfs/dbraw/zinc/08/43/37/387084337.db2.gz UACWWXLVRZLMHF-AWEZNQCLSA-N 2 0 248.374 1.038 20 0 BDADRP C(C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)[C@@H]1CCCO1 ZINC000334994872 387086770 /nfs/dbraw/zinc/08/67/70/387086770.db2.gz VSXCLHJKXVVSFR-UONOGXRCSA-N 2 0 238.375 1.631 20 0 BDADRP C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)[C@@H]1CCC[NH2+]C1 ZINC000334996827 387088571 /nfs/dbraw/zinc/08/85/71/387088571.db2.gz VYUNURGCAHGILO-UONOGXRCSA-N 3 0 237.391 1.062 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000423299962 387131209 /nfs/dbraw/zinc/13/12/09/387131209.db2.gz QOXGNBHIVFQXMO-MJBXVCDLSA-N 2 0 239.407 1.720 20 0 BDADRP Cc1cc(CC[NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)on1 ZINC000353080806 387102198 /nfs/dbraw/zinc/10/21/98/387102198.db2.gz CRNSKRPIVOJOQO-NWDGAFQWSA-N 2 0 249.358 1.740 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC1CCOCC1 ZINC000335007861 387103645 /nfs/dbraw/zinc/10/36/45/387103645.db2.gz ALAAHCFUJJXOSX-CHWSQXEVSA-N 2 0 226.364 1.663 20 0 BDADRP CN(C[C@@H](O)C[N@H+](C)[C@H]1CC1(C)C)C1CC1 ZINC000352365138 387114148 /nfs/dbraw/zinc/11/41/48/387114148.db2.gz NOHDYTIHTFZISF-NEPJUHHUSA-N 2 0 226.364 1.172 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC2(O)CCC2)c2ccccc21 ZINC000127378876 387116259 /nfs/dbraw/zinc/11/62/59/387116259.db2.gz ADOUCQHLODLELW-CHWSQXEVSA-N 2 0 232.327 1.636 20 0 BDADRP C([NH2+]C1CC[NH2+]CC1)[C@H]1CC12CCSCC2 ZINC000335026469 387118837 /nfs/dbraw/zinc/11/88/37/387118837.db2.gz BLQWQBZSVQTEJF-LLVKDONJSA-N 2 0 240.416 1.861 20 0 BDADRP COC[C@@H]([NH2+]CC1C[NH2+]C1)C1CCCC1 ZINC000423300952 387132142 /nfs/dbraw/zinc/13/21/42/387132142.db2.gz GFYUFJSQGFFSHT-GFCCVEGCSA-N 2 0 212.337 1.001 20 0 BDADRP C[NH+]1CCC(N[C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000335029060 387122580 /nfs/dbraw/zinc/12/25/80/387122580.db2.gz LOUVCIXUTKASBM-OLZOCXBDSA-N 2 0 225.380 1.330 20 0 BDADRP C[N@H+](C[C@@H]1CCCOC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250402424 387124738 /nfs/dbraw/zinc/12/47/38/387124738.db2.gz MKZGFYPQAFLVNI-ICIURTGMSA-N 2 0 238.375 1.628 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CCCC[C@H](CO)C1 ZINC000370622368 387128588 /nfs/dbraw/zinc/12/85/88/387128588.db2.gz NHFHIHASMMCROV-AWEZNQCLSA-N 2 0 242.407 1.813 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000423298684 387128900 /nfs/dbraw/zinc/12/89/00/387128900.db2.gz ARJUZTLXVJRHEX-NOZJJQNGSA-N 2 0 237.322 1.856 20 0 BDADRP COc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH3+])cc1O ZINC000423299325 387129061 /nfs/dbraw/zinc/12/90/61/387129061.db2.gz BSRDDGKPGVTALE-ZJUUUORDSA-N 2 0 238.331 1.646 20 0 BDADRP Cc1cnc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)o1 ZINC000334980838 387068497 /nfs/dbraw/zinc/06/84/97/387068497.db2.gz OHKGWPYXCJBATE-CHWSQXEVSA-N 2 0 249.358 1.805 20 0 BDADRP CC(C)O[C@H]1C[C@H]([NH2+]CC2C[NH2+]C2)C1(C)C ZINC000423306162 387141403 /nfs/dbraw/zinc/14/14/03/387141403.db2.gz SFURGYDZYVDAGX-RYUDHWBXSA-N 2 0 226.364 1.388 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1N[C@H]1CCC[NH2+]C1 ZINC000423305708 387141613 /nfs/dbraw/zinc/14/16/13/387141613.db2.gz CIPPMMLKEVAPBU-VOAKCMCISA-N 2 0 225.380 1.057 20 0 BDADRP C[C@@H](CCc1ccccc1F)[NH2+]CC1C[NH2+]C1 ZINC000423306408 387141702 /nfs/dbraw/zinc/14/17/02/387141702.db2.gz SVMPBWUFTNOUEB-NSHDSACASA-N 2 0 236.334 1.956 20 0 BDADRP CC[C@@H]([NH2+]CC1C[NH2+]C1)c1ccccc1 ZINC000423308745 387143062 /nfs/dbraw/zinc/14/30/62/387143062.db2.gz YFZMEAGBVSNKPH-CYBMUJFWSA-N 2 0 204.317 1.947 20 0 BDADRP CCC[NH2+]CC[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000423307567 387143090 /nfs/dbraw/zinc/14/30/90/387143090.db2.gz HDDAYOFFVRJHJN-NWDGAFQWSA-N 2 0 214.353 1.391 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]CC2C[NH2+]C2)C12CCCC2 ZINC000423308075 387143526 /nfs/dbraw/zinc/14/35/26/387143526.db2.gz XGVIZDKWSIWRFT-QWHCGFSZSA-N 2 0 238.375 1.533 20 0 BDADRP COc1ccc(CC[C@H](C)[NH2+]CC2C[NH2+]C2)cc1 ZINC000423307702 387144119 /nfs/dbraw/zinc/14/41/19/387144119.db2.gz WLJLHBQPFKJNEZ-LBPRGKRZSA-N 2 0 248.370 1.825 20 0 BDADRP CC[C@@H]([NH2+]C[C@H](C)C[NH3+])c1ccncc1 ZINC000423310225 387147154 /nfs/dbraw/zinc/14/71/54/387147154.db2.gz RKZSHTFNVQYBIM-ZYHUDNBSSA-N 2 0 207.321 1.717 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423310946 387149420 /nfs/dbraw/zinc/14/94/20/387149420.db2.gz AZQMAPKJODONCM-AVGNSLFASA-N 2 0 226.364 1.519 20 0 BDADRP CCC[NH2+]CC[NH2+][C@@H](CC)[C@@H]1CCOC1 ZINC000423312363 387149745 /nfs/dbraw/zinc/14/97/45/387149745.db2.gz RRHLXEUIAQMLKN-NEPJUHHUSA-N 2 0 214.353 1.391 20 0 BDADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423310950 387149895 /nfs/dbraw/zinc/14/98/95/387149895.db2.gz AZXLSPHWCFMOLL-AVGNSLFASA-N 2 0 226.364 1.519 20 0 BDADRP C[N@H+](CCN[C@H]1CCC[C@H]1C[NH3+])C1CCCC1 ZINC000249970804 387151755 /nfs/dbraw/zinc/15/17/55/387151755.db2.gz HUVUKTCLWYTOIN-JSGCOSHPSA-N 2 0 239.407 1.578 20 0 BDADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H](C)C[NH3+] ZINC000423314640 387154813 /nfs/dbraw/zinc/15/48/13/387154813.db2.gz YQKBDLKUXDFSJY-OBJOEFQTSA-N 2 0 236.359 1.947 20 0 BDADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@H](C)C[NH3+] ZINC000423314638 387155217 /nfs/dbraw/zinc/15/52/17/387155217.db2.gz YQKBDLKUXDFSJY-BZPMIXESSA-N 2 0 236.359 1.947 20 0 BDADRP CC1(C)[C@H]([NH2+]CC2([NH3+])CCC2)[C@@H]2CCCO[C@@H]21 ZINC000423315952 387155916 /nfs/dbraw/zinc/15/59/16/387155916.db2.gz BHSHXVRINXLDOX-TUAOUCFPSA-N 2 0 238.375 1.661 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C)(CO)CC1 ZINC000186958831 387156192 /nfs/dbraw/zinc/15/61/92/387156192.db2.gz SPQONWNCMBBOOY-CYBMUJFWSA-N 2 0 240.391 1.565 20 0 BDADRP [NH3+][C@H](C[NH2+][C@H]1CC[C@H]1C1CCC1)C1CC1 ZINC000423324481 387168828 /nfs/dbraw/zinc/16/88/28/387168828.db2.gz PMZAEJRCNURQHK-XQQFMLRXSA-N 2 0 208.349 1.892 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]CC2([NH3+])CCC2)C12CCC2 ZINC000423338124 387184994 /nfs/dbraw/zinc/18/49/94/387184994.db2.gz VRIWAHKEXHUWLG-NWDGAFQWSA-N 2 0 238.375 1.805 20 0 BDADRP COCCC[C@@H](C)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423337262 387185649 /nfs/dbraw/zinc/18/56/49/387185649.db2.gz UBXRENGMJGCZCI-CHWSQXEVSA-N 2 0 228.380 1.781 20 0 BDADRP CCn1nc(C)c(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1C ZINC000572474112 387189411 /nfs/dbraw/zinc/18/94/11/387189411.db2.gz OYPGSSWCRXIQKD-ZJUUUORDSA-N 2 0 238.379 1.735 20 0 BDADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC2C[NH2+]C2)cc1 ZINC000423302848 387135795 /nfs/dbraw/zinc/13/57/95/387135795.db2.gz KSVPUQPVRHJMTL-NWDGAFQWSA-N 2 0 248.370 1.996 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000423303991 387136341 /nfs/dbraw/zinc/13/63/41/387136341.db2.gz XXOXUGNWNFFJJH-RNCFNFMXSA-N 2 0 222.307 1.997 20 0 BDADRP C[NH+](C)[C@H]1CCC[N@H+](CCC(C)(C)O)CC1 ZINC000370696630 387136899 /nfs/dbraw/zinc/13/68/99/387136899.db2.gz GXVPVKLIQNXRFK-LBPRGKRZSA-N 2 0 228.380 1.564 20 0 BDADRP CC(C)n1cc([C@@H](C)[NH2+]C[C@@H](C)C[NH3+])cn1 ZINC000423303367 387137035 /nfs/dbraw/zinc/13/70/35/387137035.db2.gz WYFCKDRUAPBXLE-WDEREUQCSA-N 2 0 224.352 1.709 20 0 BDADRP C([NH2+][C@@H]1CCC[C@@H](C2CC2)C1)C1C[NH2+]C1 ZINC000423303493 387137217 /nfs/dbraw/zinc/13/72/17/387137217.db2.gz LSQZQMKOAYXOEK-CHWSQXEVSA-N 2 0 208.349 1.764 20 0 BDADRP C[C@@H](Cc1ccc(F)cc1)[NH2+]CC1C[NH2+]C1 ZINC000423303502 387137610 /nfs/dbraw/zinc/13/76/10/387137610.db2.gz LTPFZKGLXWUDKT-JTQLQIEISA-N 2 0 222.307 1.566 20 0 BDADRP CC(C)n1cc([C@H](C)[NH2+]C[C@H](C)C[NH3+])cn1 ZINC000423303365 387137931 /nfs/dbraw/zinc/13/79/31/387137931.db2.gz WYFCKDRUAPBXLE-MNOVXSKESA-N 2 0 224.352 1.709 20 0 BDADRP c1ccc([C@@H]([NH2+]CC2C[NH2+]C2)C2CC2)cc1 ZINC000423304651 387139524 /nfs/dbraw/zinc/13/95/24/387139524.db2.gz OOGQROPZFPWSPE-CQSZACIVSA-N 2 0 216.328 1.947 20 0 BDADRP COc1ccc([C@H](C)[NH2+]CC2C[NH2+]C2)cc1 ZINC000423304931 387140413 /nfs/dbraw/zinc/14/04/13/387140413.db2.gz PYSNUXFPKMSHDC-JTQLQIEISA-N 2 0 220.316 1.565 20 0 BDADRP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]CC2C[NH2+]C2)C1 ZINC000423305829 387141075 /nfs/dbraw/zinc/14/10/75/387141075.db2.gz RSXPXLPZWQLXKU-ZJUUUORDSA-N 2 0 236.281 1.917 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300408937 387205616 /nfs/dbraw/zinc/20/56/16/387205616.db2.gz SXASEJPJSIIXQQ-IHRRRGAJSA-N 2 0 240.391 1.754 20 0 BDADRP CC(C)(CCO)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300408661 387205929 /nfs/dbraw/zinc/20/59/29/387205929.db2.gz GRIQLGRTLQTMKY-OLZOCXBDSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1cccc(CO)c1 ZINC000423357194 387208549 /nfs/dbraw/zinc/20/85/49/387208549.db2.gz HYPYMYJANVFZNC-SWLSCSKDSA-N 2 0 248.370 1.972 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000300415643 387208545 /nfs/dbraw/zinc/20/85/45/387208545.db2.gz XTXMTVKUYCCXRQ-REWJHTLYSA-N 2 0 242.407 1.713 20 0 BDADRP CC[C@H](N[C@@H]1CC[NH2+][C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000423367927 387220877 /nfs/dbraw/zinc/22/08/77/387220877.db2.gz AUUHNRNUWAALBW-RNJOBUHISA-N 2 0 225.380 1.247 20 0 BDADRP CC(C)(O)C(C)(C)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000393673906 387230727 /nfs/dbraw/zinc/23/07/27/387230727.db2.gz SCJOQYHKMRJNOF-RYUDHWBXSA-N 2 0 242.407 1.891 20 0 BDADRP C[C@@H](C[NH3+])N[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423398919 387233696 /nfs/dbraw/zinc/23/36/96/387233696.db2.gz PEZLAROCORIAFY-ZDEQEGDKSA-N 2 0 225.380 1.234 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000336409231 387238690 /nfs/dbraw/zinc/23/86/90/387238690.db2.gz NZTXOAFWMHHFQI-CYBMUJFWSA-N 2 0 224.348 1.097 20 0 BDADRP COC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)C1CCCC1 ZINC000423407745 387242718 /nfs/dbraw/zinc/24/27/18/387242718.db2.gz WJAHQVSTQFCRJP-YUTCNCBUSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@H]1CC[NH2+]C[C@H]1C ZINC000423410323 387246678 /nfs/dbraw/zinc/24/66/78/387246678.db2.gz ZZEFKECNULSFNL-XGFWRYKXSA-N 2 0 239.407 1.303 20 0 BDADRP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cn1 ZINC000161581653 387247454 /nfs/dbraw/zinc/24/74/54/387247454.db2.gz DHGODUIXVCCZHH-SWLSCSKDSA-N 2 0 247.386 1.862 20 0 BDADRP CC[C@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)C(C)C ZINC000423428387 387253916 /nfs/dbraw/zinc/25/39/16/387253916.db2.gz ONWVXPVXISZBMT-QWHCGFSZSA-N 2 0 228.380 1.779 20 0 BDADRP CC[C@@H](NC[C@]1(C)CCC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423345500 387194344 /nfs/dbraw/zinc/19/43/44/387194344.db2.gz OZPMSWCZVWOHMF-HZSPNIEDSA-N 2 0 239.407 1.496 20 0 BDADRP CC[C@H](O)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353396417 387194457 /nfs/dbraw/zinc/19/44/57/387194457.db2.gz SUGCOPBELBJMSX-IGQOVBAYSA-N 2 0 240.391 1.610 20 0 BDADRP COCC[C@H]1CCC[C@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000423345843 387195021 /nfs/dbraw/zinc/19/50/21/387195021.db2.gz GGDHSZWDSXLFFU-ZIAGYGMSSA-N 2 0 238.375 1.701 20 0 BDADRP C[N@@H+]1CC[C@H](NCC(F)(F)CN)[C@H]2CCC[C@H]21 ZINC000423349438 387200655 /nfs/dbraw/zinc/20/06/55/387200655.db2.gz WTMMRSXFDDNIIY-OUAUKWLOSA-N 2 0 247.333 1.043 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423348892 387201414 /nfs/dbraw/zinc/20/14/14/387201414.db2.gz UTLYSCZYOSXTEX-MCIONIFRSA-N 3 0 239.407 1.354 20 0 BDADRP CC1(C)CCC[NH2+][C@@H]1CN[C@@H]1CCC[C@H]1[NH3+] ZINC000423376515 387256198 /nfs/dbraw/zinc/25/61/98/387256198.db2.gz DTMKQEFNNYXEHD-IJLUTSLNSA-N 2 0 225.380 1.234 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@H]1NC[C@@H]1[NH2+]CCCC1(C)C ZINC000423375679 387256527 /nfs/dbraw/zinc/25/65/27/387256527.db2.gz DBPWQWLJHKDTAQ-UPJWGTAASA-N 2 0 239.407 1.304 20 0 BDADRP C[C@@H]([NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)[C@H](C)[NH3+] ZINC000423470431 387317095 /nfs/dbraw/zinc/31/70/95/387317095.db2.gz PJEAZODMLHPDBM-CKIKVBCHSA-N 2 0 238.375 1.659 20 0 BDADRP C[C@@H](N[C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000423377859 387260436 /nfs/dbraw/zinc/26/04/36/387260436.db2.gz KOJWMUZEIGTNLP-FDYHWXHSSA-N 2 0 225.380 1.247 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000423378976 387260475 /nfs/dbraw/zinc/26/04/75/387260475.db2.gz LKCZVXVGRMLMCE-LPWJVIDDSA-N 2 0 240.391 1.778 20 0 BDADRP Cc1cnn(C)c1C[NH2+][C@H](C)Cn1ccnc1 ZINC000285425056 387264578 /nfs/dbraw/zinc/26/45/78/387264578.db2.gz KAQYAWWEXLNACU-LLVKDONJSA-N 2 0 233.319 1.103 20 0 BDADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000423382806 387265841 /nfs/dbraw/zinc/26/58/41/387265841.db2.gz PDTOFDBIQURVPR-QNWHQSFQSA-N 2 0 225.380 1.057 20 0 BDADRP COCC1CCC([NH2+][C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000423382189 387266411 /nfs/dbraw/zinc/26/64/11/387266411.db2.gz OCLWRKZSQTVNCN-ABXWRUBCSA-N 2 0 240.391 1.922 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+][C@H](C)C2)C12CCC2 ZINC000423385803 387268077 /nfs/dbraw/zinc/26/80/77/387268077.db2.gz RBJMNDYRAIMFSC-MROQNXINSA-N 2 0 238.375 1.674 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NC[C@@H]1[NH2+]CCCC1(C)C ZINC000423385251 387268901 /nfs/dbraw/zinc/26/89/01/387268901.db2.gz KJGMORDOQZTZDR-TUAOUCFPSA-N 2 0 227.396 1.480 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H]1CCC12CCC2 ZINC000423386524 387270061 /nfs/dbraw/zinc/27/00/61/387270061.db2.gz HGQBVNMJPYGHEF-IJLUTSLNSA-N 2 0 208.349 1.907 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2[NH2+]CCCC2(C)C)CCO1 ZINC000423389127 387274047 /nfs/dbraw/zinc/27/40/47/387274047.db2.gz NIEFRMJOMOYQGK-JHJVBQTASA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423393064 387279501 /nfs/dbraw/zinc/27/95/01/387279501.db2.gz QIYJTJHGGFCVRM-QWRGUYRKSA-N 3 0 233.359 1.505 20 0 BDADRP Cc1n[nH]c(C)c1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000514726404 387280608 /nfs/dbraw/zinc/28/06/08/387280608.db2.gz RFYYVKRQTKLCHK-HTQZYQBOSA-N 2 0 210.325 1.242 20 0 BDADRP C[C@H](Cc1ccoc1)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423432490 387283412 /nfs/dbraw/zinc/28/34/12/387283412.db2.gz OMPUGVVODUMSNN-YJQGPUDQSA-N 2 0 206.289 1.018 20 0 BDADRP CC[C@@H]([NH2+][C@H](C)CCCC[NH3+])c1nccn1C ZINC000423435052 387286865 /nfs/dbraw/zinc/28/68/65/387286865.db2.gz ONLPPJWQAGWTDH-VXGBXAGGSA-N 2 0 238.379 1.978 20 0 BDADRP CCN1C[C@H]([NH2+][C@H](C)CCCC[NH3+])[C@@H](C)C1 ZINC000423435072 387287026 /nfs/dbraw/zinc/28/70/26/387287026.db2.gz OPLAXNJOFVIESF-XQQFMLRXSA-N 2 0 227.396 1.434 20 0 BDADRP C1C[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C2(C1)CCOCC2 ZINC000423438276 387288209 /nfs/dbraw/zinc/28/82/09/387288209.db2.gz RBJLFVUNFOSGQH-QNWHQSFQSA-N 2 0 236.359 1.143 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423442698 387292809 /nfs/dbraw/zinc/29/28/09/387292809.db2.gz VGMKOHDBJGTKNH-YNEHKIRRSA-N 3 0 227.396 1.482 20 0 BDADRP C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423446718 387294601 /nfs/dbraw/zinc/29/46/01/387294601.db2.gz YXZXUQVIUMOZTD-FCHWROMDSA-N 2 0 228.339 1.727 20 0 BDADRP CC(C)[C@@H](Cn1cccn1)[NH2+][C@H](C)CCC[NH3+] ZINC000423444504 387294941 /nfs/dbraw/zinc/29/49/41/387294941.db2.gz AZNJAEAHHRGZFZ-CHWSQXEVSA-N 2 0 238.379 1.625 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1cccc(CO)c1 ZINC000423444982 387295340 /nfs/dbraw/zinc/29/53/40/387295340.db2.gz BIRNTEASDMLWKP-VXGBXAGGSA-N 2 0 236.359 1.957 20 0 BDADRP CCN(CC)C(=O)C[C@H](C)[NH2+][C@H](C)CCC[NH3+] ZINC000423449180 387296946 /nfs/dbraw/zinc/29/69/46/387296946.db2.gz FYXRYCKSBPYXEC-NEPJUHHUSA-N 2 0 243.395 1.350 20 0 BDADRP COC[C@@]1(C[NH2+][C@@H](C)C2CC2)CCC[NH2+]1 ZINC000423447553 387297208 /nfs/dbraw/zinc/29/72/08/387297208.db2.gz ZWNODUMLMCYHAG-JQWIXIFHSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423450054 387300372 /nfs/dbraw/zinc/30/03/72/387300372.db2.gz HCIYYMJDEQVWHE-UTUOFQBUSA-N 2 0 213.369 1.234 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1cnn(C)c1 ZINC000423458545 387306121 /nfs/dbraw/zinc/30/61/21/387306121.db2.gz KGGFRIDVRFTACI-GVXVVHGQSA-N 2 0 236.363 1.588 20 0 BDADRP Cc1cc(CC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)on1 ZINC000353995187 387307514 /nfs/dbraw/zinc/30/75/14/387307514.db2.gz HHHSDSFHKLFTLM-GWCFXTLKSA-N 2 0 237.347 1.455 20 0 BDADRP C[C@@H]1C[C@@H](NC[C@@H]2CCCC[NH2+]2)C[N@@H+]1C1CC1 ZINC000643501582 387356037 /nfs/dbraw/zinc/35/60/37/387356037.db2.gz LLYREGGCYPXKEL-FRRDWIJNSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@@H](CC[NH3+])NC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000423527238 387356702 /nfs/dbraw/zinc/35/67/02/387356702.db2.gz MCUNTUVGWFCISZ-JQWIXIFHSA-N 2 0 241.379 1.138 20 0 BDADRP CC[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccn(C)n1 ZINC000423534858 387361751 /nfs/dbraw/zinc/36/17/51/387361751.db2.gz BCSIRYCMNJVZCU-CYBMUJFWSA-N 2 0 248.374 1.771 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC2=CC[NH2+]CC2)CN1C1CC1 ZINC000423537487 387363333 /nfs/dbraw/zinc/36/33/33/387363333.db2.gz KCBLVIKRLDBFEJ-OCCSQVGLSA-N 2 0 249.402 1.511 20 0 BDADRP COc1ccc(C[C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])cn1 ZINC000423481121 387363615 /nfs/dbraw/zinc/36/36/15/387363615.db2.gz WQVYIZFFXFRLFU-AXFHLTTASA-N 2 0 237.347 1.347 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCCCN1 ZINC000643502356 387363808 /nfs/dbraw/zinc/36/38/08/387363808.db2.gz DHXJOVUFVZAICR-VXGBXAGGSA-N 2 0 213.369 1.236 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@@H](CC)C1(C(=O)OC)CCC1 ZINC000423481621 387363813 /nfs/dbraw/zinc/36/38/13/387363813.db2.gz XAHKGKWOSZCDIH-MNOVXSKESA-N 2 0 242.363 1.435 20 0 BDADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)[C@H]1CCCOC1 ZINC000423537522 387364663 /nfs/dbraw/zinc/36/46/63/387364663.db2.gz KHINTAKVNZNTCH-JSGCOSHPSA-N 2 0 238.375 1.701 20 0 BDADRP COCCC[C@@H](C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423540899 387366241 /nfs/dbraw/zinc/36/62/41/387366241.db2.gz RBCIVWULGQOTQO-GFCCVEGCSA-N 2 0 226.364 1.701 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000423545695 387371368 /nfs/dbraw/zinc/37/13/68/387371368.db2.gz JWOHOCNZLLZDIM-YHQUGGNUSA-N 3 0 237.391 1.105 20 0 BDADRP C[C@H]([NH2+]C[C@H]1Cc2ccccc21)C1C[NH2+]C1 ZINC000643453701 387371561 /nfs/dbraw/zinc/37/15/61/387371561.db2.gz UEHLVSOJXBCBKL-CMPLNLGQSA-N 2 0 216.328 1.524 20 0 BDADRP CC[C@H](COC)[NH2+]C[C@@H](C)Cn1ccnc1C ZINC000121516151 387374812 /nfs/dbraw/zinc/37/48/12/387374812.db2.gz MWCRWBASGYBQEY-DGCLKSJQSA-N 2 0 239.363 1.842 20 0 BDADRP CCOC(=O)C[N@H+](CC)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000515516694 387384770 /nfs/dbraw/zinc/38/47/70/387384770.db2.gz GEWXBAUBVYNHDL-NWDGAFQWSA-N 2 0 242.363 1.260 20 0 BDADRP Cc1n[nH]cc1CNC1CC([NH+]2CCCCC2)C1 ZINC000373490864 387376250 /nfs/dbraw/zinc/37/62/50/387376250.db2.gz RUKBRTKLCKXBQP-UHFFFAOYSA-N 2 0 248.374 1.825 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2CCCC[NH2+]C2)CC[N@@H+]1C ZINC000423555077 387376357 /nfs/dbraw/zinc/37/63/57/387376357.db2.gz LQDFVBFFCJUWKH-UPJWGTAASA-N 2 0 225.380 1.201 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)[C@H]1CCOC1 ZINC000423572641 387381207 /nfs/dbraw/zinc/38/12/07/387381207.db2.gz YMQRESVQEGRMPD-XQQFMLRXSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H](N[C@@H]1CC[N@H+](CC2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000643462909 387320653 /nfs/dbraw/zinc/32/06/53/387320653.db2.gz YFGKGOTXMRPPDA-MRVWCRGKSA-N 2 0 237.391 1.201 20 0 BDADRP CC[C@H]([NH3+])CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423477364 387323739 /nfs/dbraw/zinc/32/37/39/387323739.db2.gz TVZWZLYEXWWADL-UBHSHLNASA-N 2 0 235.375 1.272 20 0 BDADRP Cc1cc(N)cc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])c1 ZINC000423483111 387328515 /nfs/dbraw/zinc/32/85/15/387328515.db2.gz RZZHDQOXVCYQRT-JSGCOSHPSA-N 2 0 233.359 1.794 20 0 BDADRP Cc1noc(C)c1CCN[C@@H]1CCC[NH2+]C1 ZINC000515060475 387330131 /nfs/dbraw/zinc/33/01/31/387330131.db2.gz LNCSJEXRBLZBPH-LLVKDONJSA-N 2 0 223.320 1.176 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]([NH3+])CC)C12CCC2 ZINC000423484559 387330898 /nfs/dbraw/zinc/33/08/98/387330898.db2.gz YOMPYIVYWZRSSJ-IJLUTSLNSA-N 2 0 226.364 1.661 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCCSCC2)C1 ZINC000575498302 387331069 /nfs/dbraw/zinc/33/10/69/387331069.db2.gz WNAURNKFJIIBCM-AOOOYVTPSA-N 2 0 200.351 1.163 20 0 BDADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000423486549 387332143 /nfs/dbraw/zinc/33/21/43/387332143.db2.gz ZOCVAPBKZLGSAU-GMXVVIOVSA-N 2 0 234.343 1.706 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C[NH3+])C2)CN1C1CC1 ZINC000423486700 387334042 /nfs/dbraw/zinc/33/40/42/387334042.db2.gz BXHJQDJUXRYZAQ-NDBYEHHHSA-N 2 0 237.391 1.329 20 0 BDADRP C[C@@H](Cc1ccoc1)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423491611 387336765 /nfs/dbraw/zinc/33/67/65/387336765.db2.gz JYIICMFRDCINSB-AAEUAGOBSA-N 2 0 238.331 1.179 20 0 BDADRP CCc1ccccc1[C@H](N)C[NH2+][C@@H](C)CCC[NH3+] ZINC000423495647 387338100 /nfs/dbraw/zinc/33/81/00/387338100.db2.gz CHHORSNLYNYAEN-SWLSCSKDSA-N 2 0 249.402 1.966 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccncc1F ZINC000423500174 387340495 /nfs/dbraw/zinc/34/04/95/387340495.db2.gz IHGZHRYHYHYMRX-AXFHLTTASA-N 2 0 237.322 1.999 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)N[C@H](C[NH3+])C1CCCC1 ZINC000423497100 387340809 /nfs/dbraw/zinc/34/08/09/387340809.db2.gz GBINAUBKQRKULD-JBLDHEPKSA-N 2 0 213.369 1.219 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC000423498282 387341316 /nfs/dbraw/zinc/34/13/16/387341316.db2.gz GRSITSBLPVBBSN-NDBYEHHHSA-N 3 0 225.380 1.234 20 0 BDADRP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)C(C)C ZINC000423504537 387342062 /nfs/dbraw/zinc/34/20/62/387342062.db2.gz GDPMVKKQOPPGMH-NWDGAFQWSA-N 2 0 214.353 1.389 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)CC[NH+](C)C)[C@@H]1CCOC1 ZINC000303393178 387349506 /nfs/dbraw/zinc/34/95/06/387349506.db2.gz KDKBTLPHCJBNRJ-XQQFMLRXSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@@H](N[C@H](C[NH3+])C1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000423517407 387350479 /nfs/dbraw/zinc/35/04/79/387350479.db2.gz YQFVVHOYYZGFHA-KGYLQXTDSA-N 2 0 225.380 1.234 20 0 BDADRP C[C@@H](C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)C[NH+](C)C ZINC000309813163 387352920 /nfs/dbraw/zinc/35/29/20/387352920.db2.gz ZSISRTLQAFTQMU-RVMXOQNASA-N 2 0 228.380 1.730 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@H](CO)C1CCCC1 ZINC000352679009 387434910 /nfs/dbraw/zinc/43/49/10/387434910.db2.gz OROVDJPUGNZXCG-CQSZACIVSA-N 2 0 242.407 1.859 20 0 BDADRP CCCC[N@H+](C)CCN[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000361395724 387454501 /nfs/dbraw/zinc/45/45/01/387454501.db2.gz BDIWSPHLWKBZKK-KBPBESRZSA-N 2 0 241.423 1.791 20 0 BDADRP CC1(C)C[C@H]([NH2+][C@H]2CCN3CCCC[C@@H]23)CO1 ZINC000396849175 387503135 /nfs/dbraw/zinc/50/31/35/387503135.db2.gz MJKVYHYIJGKUHW-AVGNSLFASA-N 2 0 238.375 1.770 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000643475462 387508197 /nfs/dbraw/zinc/50/81/97/387508197.db2.gz UZMNUYFYVLDVTQ-YIPFDTCYSA-N 2 0 238.375 1.817 20 0 BDADRP C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCC[NH2+]C1 ZINC000516492318 387516332 /nfs/dbraw/zinc/51/63/32/387516332.db2.gz VXLPOGYIWURVII-WUHRBBMRSA-N 2 0 225.380 1.234 20 0 BDADRP C[C@@H](NC[C@H](C)C[NH+]1CCCC1)c1ccncn1 ZINC000395960190 387517017 /nfs/dbraw/zinc/51/70/17/387517017.db2.gz FQSSBEGHIAWXFV-QWHCGFSZSA-N 2 0 248.374 1.859 20 0 BDADRP CC[C@H]([NH2+]CCC[NH+]1CCCC1)[C@@H]1CCOC1 ZINC000310228285 387535586 /nfs/dbraw/zinc/53/55/86/387535586.db2.gz OKOARCCEFWFVJW-KGLIPLIRSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000643470992 387477709 /nfs/dbraw/zinc/47/77/09/387477709.db2.gz FNGYGIOXNILQJO-MQYQWHSLSA-N 2 0 240.391 1.515 20 0 BDADRP CO[C@@H](C)[C@H](C)[NH2+]CCC1CC[NH+](C)CC1 ZINC000122140863 387487045 /nfs/dbraw/zinc/48/70/45/387487045.db2.gz TXXZRQXZJCYDIM-RYUDHWBXSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@H]([NH2+][C@H](CO)[C@@H](C)c1ccccc1)C1C[NH2+]C1 ZINC000643474454 387490377 /nfs/dbraw/zinc/49/03/77/387490377.db2.gz PLFDAOFLLPBVCR-SLEUVZQESA-N 2 0 248.370 1.349 20 0 BDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCc1cccnc1 ZINC000123716318 387592585 /nfs/dbraw/zinc/59/25/85/387592585.db2.gz SCZLPEQXBLBAHQ-CQSZACIVSA-N 2 0 235.375 1.929 20 0 BDADRP C[C@@H](CC(N)=O)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000122722105 387593042 /nfs/dbraw/zinc/59/30/42/387593042.db2.gz DBJYRWHUPMYSPO-RYUDHWBXSA-N 2 0 241.379 1.104 20 0 BDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC(C)(C)CC[NH3+] ZINC000422540225 387596838 /nfs/dbraw/zinc/59/68/38/387596838.db2.gz LTJWOBJNXBYJMJ-SNVBAGLBSA-N 2 0 243.395 1.254 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]CC(C)(C)[NH3+])C1 ZINC000643513315 387596993 /nfs/dbraw/zinc/59/69/93/387596993.db2.gz QYRQQMQPSUPVJA-VHSXEESVSA-N 2 0 200.326 1.271 20 0 BDADRP C[N@@H+](Cc1cccc(C2CC2)c1)C[C@H](O)C[NH3+] ZINC000422550485 387599503 /nfs/dbraw/zinc/59/95/03/387599503.db2.gz BIBJQOVYXSTAED-CQSZACIVSA-N 2 0 234.343 1.315 20 0 BDADRP c1cc(CCC[NH+]2CCC3(CC[NH2+]3)CC2)ccn1 ZINC000422635225 387609937 /nfs/dbraw/zinc/60/99/37/387609937.db2.gz LEFMRFURSAISEF-UHFFFAOYSA-N 2 0 245.370 1.842 20 0 BDADRP CC[N@@H+]1CC[C@@H](CN[C@@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000422694301 387613414 /nfs/dbraw/zinc/61/34/14/387613414.db2.gz NSQCTRMRPMOITA-AVGNSLFASA-N 2 0 225.380 1.058 20 0 BDADRP CC(C)OCCC[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430578847 387629376 /nfs/dbraw/zinc/62/93/76/387629376.db2.gz BNWJDQBJGXJZDU-QWHCGFSZSA-N 2 0 228.380 1.861 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422700557 387614829 /nfs/dbraw/zinc/61/48/29/387614829.db2.gz ACFSPLNNBJDNBS-JBLDHEPKSA-N 2 0 216.369 1.499 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000422701028 387615110 /nfs/dbraw/zinc/61/51/10/387615110.db2.gz HWEKKYPFHVFWPT-PEBLQZBPSA-N 2 0 240.391 1.907 20 0 BDADRP C([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCCO1 ZINC000422700692 387615126 /nfs/dbraw/zinc/61/51/26/387615126.db2.gz HGVQLRNJZTYNOG-ZGVCCVRISA-N 2 0 224.348 1.428 20 0 BDADRP COC[C@H](C)C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422698706 387616341 /nfs/dbraw/zinc/61/63/41/387616341.db2.gz APEIROXVHHAFAO-WOPDTQHZSA-N 2 0 214.353 1.247 20 0 BDADRP C[C@@H](Cc1cccs1)[NH2+]CC1C[NH2+]C1 ZINC000643515978 387616628 /nfs/dbraw/zinc/61/66/28/387616628.db2.gz FDBUSAMLUXOYTB-VIFPVBQESA-N 2 0 210.346 1.488 20 0 BDADRP CNC(=O)c1cccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c1 ZINC000422702189 387618080 /nfs/dbraw/zinc/61/80/80/387618080.db2.gz KEKWMNFXZKYOTO-GHMZBOCLSA-N 2 0 249.358 1.262 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCN(C)CC(F)(F)F ZINC000422704027 387619033 /nfs/dbraw/zinc/61/90/33/387619033.db2.gz JPFZNAVKJUZTSF-BDAKNGLRSA-N 2 0 241.301 1.196 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C1CCCCC1 ZINC000422706671 387620972 /nfs/dbraw/zinc/62/09/72/387620972.db2.gz UUYHJSKSCFFOMD-BFHYXJOUSA-N 2 0 240.391 1.645 20 0 BDADRP CC[N@H+](C)CCN[C@H](C)c1c[nH+]ccc1N ZINC000422709475 387622464 /nfs/dbraw/zinc/62/24/64/387622464.db2.gz DLRSFTABHZKXTG-SNVBAGLBSA-N 2 0 222.336 1.096 20 0 BDADRP C1CC2(C1)[NH2+]CC[C@H]2[NH2+][C@@H]1CCCOCC1 ZINC000527533407 387624354 /nfs/dbraw/zinc/62/43/54/387624354.db2.gz VGVAGWOPLSRZCS-VXGBXAGGSA-N 2 0 224.348 1.430 20 0 BDADRP c1ccc2c(c1)CCC[C@H]([NH2+]CC1C[NH2+]C1)C2 ZINC000643516538 387626693 /nfs/dbraw/zinc/62/66/93/387626693.db2.gz MDMCGCFQZQWBCW-HNNXBMFYSA-N 2 0 230.355 1.743 20 0 BDADRP CC(=O)Nc1cccc([C@H](C)[NH2+]CCC[NH3+])c1 ZINC000037713468 387564058 /nfs/dbraw/zinc/56/40/58/387564058.db2.gz HLJQTJZRYOJIJR-JTQLQIEISA-N 2 0 235.331 1.644 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1CCCOC1)[C@@H]1CCC[NH2+]1 ZINC000422721128 387633429 /nfs/dbraw/zinc/63/34/29/387633429.db2.gz UPSVUWBXXQZPMR-AVGNSLFASA-N 2 0 226.364 1.533 20 0 BDADRP CCCC[N@H+](C)CCN[C@@H]1C[NH2+]CC[C@H]1C ZINC000422719456 387634103 /nfs/dbraw/zinc/63/41/03/387634103.db2.gz YEIBNUNKEXZUFT-CHWSQXEVSA-N 2 0 227.396 1.306 20 0 BDADRP COCCC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422727964 387635043 /nfs/dbraw/zinc/63/50/43/387635043.db2.gz DWWZNNKVSAEFDO-GHMZBOCLSA-N 2 0 200.326 1.001 20 0 BDADRP CC[C@H]([NH2+]C[C@]1(C)CCOC1)[C@@H]1CCC[NH2+]1 ZINC000422727814 387636975 /nfs/dbraw/zinc/63/69/75/387636975.db2.gz HZABLYZFJSYXLD-AVGNSLFASA-N 2 0 226.364 1.533 20 0 BDADRP CC[C@@H]1CCCC[N@@H+]1CCN[C@@H](C)C[C@H](C)[NH3+] ZINC000422734460 387642514 /nfs/dbraw/zinc/64/25/14/387642514.db2.gz SITVRCNSWJENMW-MELADBBJSA-N 2 0 241.423 1.966 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1ccccn1 ZINC000422736947 387644815 /nfs/dbraw/zinc/64/48/15/387644815.db2.gz YWRRYOJZUPTEPW-JSGCOSHPSA-N 2 0 233.359 1.602 20 0 BDADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)CCC[NH3+])C1 ZINC000422737100 387646197 /nfs/dbraw/zinc/64/61/97/387646197.db2.gz HLRDPLWHMAPJMI-ZIAGYGMSSA-N 3 0 241.423 1.824 20 0 BDADRP CC[C@@H](NCCC[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000422745286 387647338 /nfs/dbraw/zinc/64/73/38/387647338.db2.gz LUIDTAUGZZGIBC-NEPJUHHUSA-N 2 0 213.369 1.058 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc2c(c1)OCO2 ZINC000422748564 387652670 /nfs/dbraw/zinc/65/26/70/387652670.db2.gz VBDLRRXWTUJBOS-VHSXEESVSA-N 2 0 236.315 1.631 20 0 BDADRP CC[NH+](CC)CCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000422749167 387652848 /nfs/dbraw/zinc/65/28/48/387652848.db2.gz XVQLAJUOQMCNEJ-STQMWFEESA-N 2 0 227.396 1.306 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)c1ccccc1)C1C[NH2+]C1 ZINC000422748112 387653038 /nfs/dbraw/zinc/65/30/38/387653038.db2.gz RZKZOTSBLCULSD-WDEREUQCSA-N 2 0 204.317 1.945 20 0 BDADRP C[C@H]([NH3+])CC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000430801971 387654639 /nfs/dbraw/zinc/65/46/39/387654639.db2.gz INRSRUFZGRUVMX-QWRGUYRKSA-N 2 0 243.395 1.206 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000422750339 387656013 /nfs/dbraw/zinc/65/60/13/387656013.db2.gz CTWLYAKQRNDCEE-RDBSUJKOSA-N 2 0 239.407 1.720 20 0 BDADRP CCCC[C@@H](COC)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422749839 387656220 /nfs/dbraw/zinc/65/62/20/387656220.db2.gz BCTOMCQACMIFHK-JQWIXIFHSA-N 2 0 214.353 1.389 20 0 BDADRP Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000422753269 387658816 /nfs/dbraw/zinc/65/88/16/387658816.db2.gz FYHSSXNBZVJJET-VHDGCEQUSA-N 2 0 248.370 1.837 20 0 BDADRP Cc1cc(C[NH2+]CC2=CC[N@H+](C)CC2)ccn1 ZINC000527683202 387659011 /nfs/dbraw/zinc/65/90/11/387659011.db2.gz KHDSTCVJYYKRIB-UHFFFAOYSA-N 2 0 231.343 1.742 20 0 BDADRP CC[C@H]([NH3+])C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000430887390 387659461 /nfs/dbraw/zinc/65/94/61/387659461.db2.gz FQMTYTKTCGXEMK-UTUOFQBUSA-N 2 0 241.379 1.103 20 0 BDADRP C[NH2+]CC1CC[NH+](CCOCC2CC2)CC1 ZINC000430928294 387662883 /nfs/dbraw/zinc/66/28/83/387662883.db2.gz SRXBGZDJABDGIP-UHFFFAOYSA-N 2 0 226.364 1.344 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@H](CO)Cc1ccccc1 ZINC000422765121 387664855 /nfs/dbraw/zinc/66/48/55/387664855.db2.gz QFXJCLFAVNQIOH-RBSFLKMASA-N 2 0 248.370 1.307 20 0 BDADRP CC(C)n1ccnc1CN1CC[C@@H](C[NH3+])C1 ZINC000430965806 387665544 /nfs/dbraw/zinc/66/55/44/387665544.db2.gz MLQWWDSEOPTVNC-NSHDSACASA-N 2 0 222.336 1.245 20 0 BDADRP CC(C)(O)CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000362861199 387665692 /nfs/dbraw/zinc/66/56/92/387665692.db2.gz XHJUDPNWEUOXFJ-CYBMUJFWSA-N 2 0 240.391 1.565 20 0 BDADRP COc1ccccc1CC[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422763559 387666311 /nfs/dbraw/zinc/66/63/11/387666311.db2.gz OVNWRXPNZSDWQC-RYUDHWBXSA-N 2 0 236.359 1.953 20 0 BDADRP Cc1cc(C)n(CCC[NH2+][C@@H](C)C[C@H](C)[NH3+])n1 ZINC000422764984 387666765 /nfs/dbraw/zinc/66/67/65/387666765.db2.gz VQWIAPYAGDNIPZ-QWRGUYRKSA-N 2 0 238.379 1.605 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H](O)CC(C)(C)C ZINC000422767026 387668859 /nfs/dbraw/zinc/66/88/59/387668859.db2.gz SAKJUFDZGRJVDL-UPJWGTAASA-N 2 0 242.407 1.761 20 0 BDADRP C[NH+](C)C[C@](C)(O)C[NH2+]C[C@@H]1CC=CCC1 ZINC000125910419 387669166 /nfs/dbraw/zinc/66/91/66/387669166.db2.gz RVPAHAIPHSBGKT-CHWSQXEVSA-N 2 0 226.364 1.245 20 0 BDADRP CC(C)OCCC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422773243 387671264 /nfs/dbraw/zinc/67/12/64/387671264.db2.gz ZNFFDQKSURHMMS-STQMWFEESA-N 2 0 228.380 1.779 20 0 BDADRP COC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000422775633 387672049 /nfs/dbraw/zinc/67/20/49/387672049.db2.gz AWEDGEJEDQOJFC-HNGCFSAESA-N 2 0 226.364 1.530 20 0 BDADRP C(COC1CCCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422774018 387672118 /nfs/dbraw/zinc/67/21/18/387672118.db2.gz ZSYWFWTZBOFFSK-FUNVUKJBSA-N 2 0 238.375 1.818 20 0 BDADRP CC1CC[NH+](CCCN[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000422778108 387674242 /nfs/dbraw/zinc/67/42/42/387674242.db2.gz HFTYSYZOGUNCQQ-ZIAGYGMSSA-N 2 0 239.407 1.578 20 0 BDADRP CC(C)[C@@H](O)CC[NH2+][C@@H](C)CCCC[NH3+] ZINC000422776775 387676057 /nfs/dbraw/zinc/67/60/57/387676057.db2.gz DKEZJHPSDITNMF-RYUDHWBXSA-N 2 0 216.369 1.501 20 0 BDADRP COCCOCCC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422777234 387676216 /nfs/dbraw/zinc/67/62/16/387676216.db2.gz BTWRUTSDVWVNIT-CHWSQXEVSA-N 2 0 244.379 1.289 20 0 BDADRP Cc1ccc(O[C@H](C)C[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000422779592 387677452 /nfs/dbraw/zinc/67/74/52/387677452.db2.gz CEBXQNQLSANPSJ-OLZOCXBDSA-N 2 0 248.370 1.960 20 0 BDADRP C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[C@H]1CCC[NH2+]1 ZINC000422779651 387677800 /nfs/dbraw/zinc/67/78/00/387677800.db2.gz IOQCBBJTFLFKOX-YYHQMBLXSA-N 2 0 238.375 1.530 20 0 BDADRP Cc1ccccc1O[C@@H](C)C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422778603 387678478 /nfs/dbraw/zinc/67/84/78/387678478.db2.gz AUYJLPKKPLGBMG-STQMWFEESA-N 2 0 248.370 1.960 20 0 BDADRP CCCCOCC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422784656 387682824 /nfs/dbraw/zinc/68/28/24/387682824.db2.gz QBONTBHSYACZIV-CHWSQXEVSA-N 2 0 228.380 1.781 20 0 BDADRP CC(C)[C@H](O)CC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000422785003 387683251 /nfs/dbraw/zinc/68/32/51/387683251.db2.gz QLOWDFNWVOZHLU-GRYCIOLGSA-N 2 0 214.353 1.110 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000422783521 387684165 /nfs/dbraw/zinc/68/41/65/387684165.db2.gz OFQAFGBGCOVDOF-LPWJVIDDSA-N 2 0 225.380 1.057 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCc1ccccc1 ZINC000422744014 387690185 /nfs/dbraw/zinc/69/01/85/387690185.db2.gz JONWPIXMNGEBLW-NEPJUHHUSA-N 2 0 206.333 1.945 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CC1(C(N)=O)CCCC1 ZINC000422742690 387690688 /nfs/dbraw/zinc/69/06/88/387690688.db2.gz GVCSOUPZMIEBBW-LLVKDONJSA-N 2 0 241.379 1.139 20 0 BDADRP CC(C)COCCC[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422788306 387691392 /nfs/dbraw/zinc/69/13/92/387691392.db2.gz RDKVKCWBNAQOBZ-NSHDSACASA-N 2 0 214.353 1.247 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NCCC[NH+]1CCCCC1 ZINC000422791341 387693588 /nfs/dbraw/zinc/69/35/88/387693588.db2.gz UVKRDNVKSVLHNS-QWHCGFSZSA-N 2 0 227.396 1.578 20 0 BDADRP CC[NH+](CC)CCN[C@@H](C)C[C@H](C)[NH3+] ZINC000422744855 387693945 /nfs/dbraw/zinc/69/39/45/387693945.db2.gz KYCGGKNFWUHXJS-QWRGUYRKSA-N 2 0 201.358 1.044 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])CCCS1 ZINC000422871695 387748952 /nfs/dbraw/zinc/74/89/52/387748952.db2.gz DFGXKHRHGAZBKR-HBNTYKKESA-N 2 0 214.378 1.742 20 0 BDADRP CC[N@H+](CCN[C@@H]1CCC[C@@H]1C[NH3+])C(C)C ZINC000422877490 387756608 /nfs/dbraw/zinc/75/66/08/387756608.db2.gz HXLJNHGOSDBEBA-CHWSQXEVSA-N 2 0 227.396 1.434 20 0 BDADRP COCC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000045035630 387702615 /nfs/dbraw/zinc/70/26/15/387702615.db2.gz CMRRGVDQNCVGFU-NWDGAFQWSA-N 2 0 226.364 1.485 20 0 BDADRP CO[C@@H](C[NH2+][C@@H](C)CCC[NH3+])C(C)(C)C ZINC000422806610 387704448 /nfs/dbraw/zinc/70/44/48/387704448.db2.gz IMKZEYKXDCKMQL-QWRGUYRKSA-N 2 0 216.369 1.765 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)C(C)C ZINC000422806363 387704862 /nfs/dbraw/zinc/70/48/62/387704862.db2.gz KMRXSBOXCGKSBI-JHJVBQTASA-N 2 0 228.380 1.635 20 0 BDADRP C[NH+](C)Cc1cccc(CN[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000422805835 387706469 /nfs/dbraw/zinc/70/64/69/387706469.db2.gz JSAXSVAEGGCZSQ-LSDHHAIUSA-N 2 0 247.386 1.718 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1NCC[NH+]1CCCCC1 ZINC000422808648 387708482 /nfs/dbraw/zinc/70/84/82/387708482.db2.gz LHKGKYXMFHNENW-CHWSQXEVSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCN1CCCCC1 ZINC000422809355 387709313 /nfs/dbraw/zinc/70/93/13/387709313.db2.gz MBRVFQZBBVRSQQ-ZIAGYGMSSA-N 2 0 239.407 1.450 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)NCC[NH+]1CCCCCC1 ZINC000422812302 387710689 /nfs/dbraw/zinc/71/06/89/387710689.db2.gz WFLDMTJGCBCUQA-OLZOCXBDSA-N 2 0 227.396 1.578 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC1(CCO)CCCC1 ZINC000422812827 387711683 /nfs/dbraw/zinc/71/16/83/387711683.db2.gz RBGZPTZLSXAPEW-RYUDHWBXSA-N 2 0 228.380 1.645 20 0 BDADRP CN(CC[NH2+][C@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000422813038 387711833 /nfs/dbraw/zinc/71/18/33/387711833.db2.gz RIDJAUJUSKQOLP-KBPBESRZSA-N 2 0 233.359 1.592 20 0 BDADRP CCOCc1ccccc1C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422813039 387712298 /nfs/dbraw/zinc/71/22/98/387712298.db2.gz XGTPEOWQVQASCV-LBPRGKRZSA-N 2 0 248.370 1.921 20 0 BDADRP CO[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)(C)C ZINC000422815202 387715213 /nfs/dbraw/zinc/71/52/13/387715213.db2.gz XFRZEUGFCRGJQE-ZGVCCVRISA-N 2 0 240.391 1.920 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCc1cn2ccccc2n1 ZINC000422816491 387715811 /nfs/dbraw/zinc/71/58/11/387715811.db2.gz FLKQPFTUKVKAEQ-QWHCGFSZSA-N 2 0 244.342 1.346 20 0 BDADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1N[C@H]1C[NH2+]CC[C@H]1C ZINC000422877134 387755384 /nfs/dbraw/zinc/75/53/84/387755384.db2.gz RBJJWJFLIZZDDN-UVLXDEKHSA-N 2 0 237.391 1.057 20 0 BDADRP C[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000422826221 387720840 /nfs/dbraw/zinc/72/08/40/387720840.db2.gz BWYITTKGILZKKP-BZPMIXESSA-N 2 0 237.391 1.201 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCCOC1CCCC1 ZINC000422829989 387722426 /nfs/dbraw/zinc/72/24/26/387722426.db2.gz QJILUEBQQMQREV-QWHCGFSZSA-N 2 0 226.364 1.805 20 0 BDADRP C[C@@H](N[C@@H](C)C[NH+]1CCCCC1)C1C[NH2+]C1 ZINC000422829708 387723337 /nfs/dbraw/zinc/72/33/37/387723337.db2.gz HSHTVWODOPKVJY-NWDGAFQWSA-N 2 0 225.380 1.058 20 0 BDADRP C[NH+](C)CCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127721935 387726454 /nfs/dbraw/zinc/72/64/54/387726454.db2.gz VUALUSZOYMUJJE-CHWSQXEVSA-N 2 0 225.380 1.155 20 0 BDADRP C[C@H](N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@@H]1CCC[NH2+]1 ZINC000422841177 387730546 /nfs/dbraw/zinc/73/05/46/387730546.db2.gz VKHMEIBIUJSVBG-DGAVXFQQSA-N 2 0 239.407 1.589 20 0 BDADRP CC[N@H+](CCN[C@@H]1CCC[C@H]1C[NH3+])C(C)C ZINC000422877493 387755810 /nfs/dbraw/zinc/75/58/10/387755810.db2.gz HXLJNHGOSDBEBA-QWHCGFSZSA-N 2 0 227.396 1.434 20 0 BDADRP COC1CCC(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000422841141 387732505 /nfs/dbraw/zinc/73/25/05/387732505.db2.gz VIDNURMVSCTUMV-RJZJGCCBSA-N 2 0 240.391 1.779 20 0 BDADRP Cc1cccc(O[C@@H](C)C[NH2+][C@H](C)C2C[NH2+]C2)c1 ZINC000422789344 387733040 /nfs/dbraw/zinc/73/30/40/387733040.db2.gz OEDAQOHNDVQIFW-QWHCGFSZSA-N 2 0 248.370 1.960 20 0 BDADRP CCC(O)(CC)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128055568 387734925 /nfs/dbraw/zinc/73/49/25/387734925.db2.gz BKWOOHWOWJEPAX-CHWSQXEVSA-N 2 0 240.391 1.754 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CCN1CCCC[C@@H]1C ZINC000422857090 387739976 /nfs/dbraw/zinc/73/99/76/387739976.db2.gz GVRAIVKLXSUIBY-OLZOCXBDSA-N 2 0 227.396 1.578 20 0 BDADRP C[C@@H]1CCC[N@H+](CCN[C@H]2CCC[C@@H]2[NH3+])C1 ZINC000422857805 387741563 /nfs/dbraw/zinc/74/15/63/387741563.db2.gz HXYWABPUPVJNIJ-AGIUHOORSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@H]1CCC[N@H+](CCN[C@H]2CCC[C@H]2[NH3+])C1 ZINC000422857808 387742233 /nfs/dbraw/zinc/74/22/33/387742233.db2.gz HXYWABPUPVJNIJ-UPJWGTAASA-N 2 0 225.380 1.188 20 0 BDADRP CCN(CC[NH2+][C@@H](C)[C@H]1CCCOC1)C1CC1 ZINC000356898124 387742416 /nfs/dbraw/zinc/74/24/16/387742416.db2.gz MRXGKFQJJIYGFC-STQMWFEESA-N 2 0 240.391 1.875 20 0 BDADRP COCCC1(C[NH2+][C@@H](C)C2C[NH2+]C2)CCCC1 ZINC000422891942 387762971 /nfs/dbraw/zinc/76/29/71/387762971.db2.gz WYRSSBMWUKZKHS-LBPRGKRZSA-N 2 0 240.391 1.781 20 0 BDADRP COCCC1(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CCC1 ZINC000422890629 387763073 /nfs/dbraw/zinc/76/30/73/387763073.db2.gz SRPQNPRORKUEMP-CHWSQXEVSA-N 2 0 240.391 1.910 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCOC1 ZINC000129107301 387764738 /nfs/dbraw/zinc/76/47/38/387764738.db2.gz DBNRQVQADPTEBZ-REWJHTLYSA-N 2 0 238.375 1.628 20 0 BDADRP CC(C)CO[C@@H]1C[C@H]([NH2+]C[C@@H](C)[NH3+])C1(C)C ZINC000643527519 387765029 /nfs/dbraw/zinc/76/50/29/387765029.db2.gz NWPUWFPYVHMYCU-GRYCIOLGSA-N 2 0 228.380 1.763 20 0 BDADRP CCC1(CC)[C@H]([NH2+]C[C@H](C)[NH3+])C[C@H]1OC ZINC000643527509 387766161 /nfs/dbraw/zinc/76/61/61/387766161.db2.gz NTPHGAGCTSAXLZ-HBNTYKKESA-N 2 0 214.353 1.517 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1CCCC1 ZINC000422904376 387767458 /nfs/dbraw/zinc/76/74/58/387767458.db2.gz XGHQNYVDGHVBEX-WCFLWFBJSA-N 2 0 226.364 1.519 20 0 BDADRP CCn1cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cn1 ZINC000422909241 387769813 /nfs/dbraw/zinc/76/98/13/387769813.db2.gz FJMBSRSDLRJUCP-VHSXEESVSA-N 2 0 210.325 1.118 20 0 BDADRP CC[C@@H]([NH2+]CC[C@@H](C)OC)[C@@H]1CCC[NH2+]1 ZINC000422908852 387770131 /nfs/dbraw/zinc/77/01/31/387770131.db2.gz ZQFNEOFPMCPMEV-UTUOFQBUSA-N 2 0 214.353 1.532 20 0 BDADRP CC[C@@H]([NH2+]CC(C)(C)C[C@@H](C)O)[C@@H]1CCC[NH2+]1 ZINC000422915276 387773706 /nfs/dbraw/zinc/77/37/06/387773706.db2.gz APIAWYSWGWLZIN-UPJWGTAASA-N 2 0 242.407 1.904 20 0 BDADRP Cc1cccc(NCC[NH2+][C@H](C)C[C@@H](C)[NH3+])n1 ZINC000422917482 387774093 /nfs/dbraw/zinc/77/40/93/387774093.db2.gz FASDECYBRFAHMX-ZYHUDNBSSA-N 2 0 236.363 1.517 20 0 BDADRP CCC1(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])CC1 ZINC000422920066 387775505 /nfs/dbraw/zinc/77/55/05/387775505.db2.gz LNMPKJZHPNSNIZ-SDDRHHMPSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CCSC1 ZINC000422920232 387776267 /nfs/dbraw/zinc/77/62/67/387776267.db2.gz LZCYFABOSPRDJU-VWYCJHECSA-N 2 0 214.378 1.470 20 0 BDADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422920060 387776365 /nfs/dbraw/zinc/77/63/65/387776365.db2.gz LMUJJRWUCLGWKC-RQJABVFESA-N 2 0 240.391 1.907 20 0 BDADRP C[C@H]([NH3+])CN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000643529725 387777286 /nfs/dbraw/zinc/77/72/86/387777286.db2.gz QMTLIBOYMRUMMH-SDDRHHMPSA-N 2 0 213.369 1.234 20 0 BDADRP C[C@@H](O)CC(C)(C)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422926608 387779441 /nfs/dbraw/zinc/77/94/41/387779441.db2.gz XBNZMLWTJJEYIH-IJLUTSLNSA-N 2 0 228.380 1.514 20 0 BDADRP C[C@@H](CO)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000157296826 387781031 /nfs/dbraw/zinc/78/10/31/387781031.db2.gz UHWHQDPSACDLKS-KPXOXKRLSA-N 2 0 206.289 1.102 20 0 BDADRP CCC1(CC)[C@H]([NH2+][C@H](C)C2C[NH2+]C2)C[C@@H]1OC ZINC000422938010 387783618 /nfs/dbraw/zinc/78/36/18/387783618.db2.gz KLXGQNUEUPTVQU-RTXFEEFZSA-N 2 0 240.391 1.778 20 0 BDADRP c1cn(CCC[N@@H+]2CCCO[C@@H]3CCC[C@@H]32)cn1 ZINC000378441123 387784298 /nfs/dbraw/zinc/78/42/98/387784298.db2.gz GVPJJLFMMHJEJB-UONOGXRCSA-N 2 0 249.358 1.917 20 0 BDADRP C[C@H]([NH2+]CCOc1cccc(F)c1)C1C[NH2+]C1 ZINC000422946096 387784578 /nfs/dbraw/zinc/78/45/78/387784578.db2.gz OKDPOIYMUGMQCS-JTQLQIEISA-N 2 0 238.306 1.402 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)C[C@H]1CCCO1 ZINC000422899978 387785219 /nfs/dbraw/zinc/78/52/19/387785219.db2.gz IPPXQPKUJRDLEG-GRYCIOLGSA-N 2 0 214.353 1.661 20 0 BDADRP C[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000422899670 387785515 /nfs/dbraw/zinc/78/55/15/387785515.db2.gz IBFQQMRIRLDDQN-VOAKCMCISA-N 2 0 226.364 1.661 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CN[C@H]1CCC[C@H]1[NH3+] ZINC000422902038 387787301 /nfs/dbraw/zinc/78/73/01/387787301.db2.gz COAZESYODFHXKH-UPJWGTAASA-N 2 0 225.380 1.330 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000422902694 387787419 /nfs/dbraw/zinc/78/74/19/387787419.db2.gz VANOIOMUWMSSIM-MQYQWHSLSA-N 2 0 237.391 1.201 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000422977709 387788315 /nfs/dbraw/zinc/78/83/15/387788315.db2.gz XJIWVLMPDUTPRE-UONOGXRCSA-N 3 0 241.423 1.825 20 0 BDADRP CC[C@@H](CCO)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422979573 387791968 /nfs/dbraw/zinc/79/19/68/387791968.db2.gz NCDNNAVFVFUYPI-CXQJBGSLSA-N 2 0 214.353 1.255 20 0 BDADRP CC(C)CC[C@](C)(O)C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000422982240 387792936 /nfs/dbraw/zinc/79/29/36/387792936.db2.gz WHXOGHJOLULUJC-IHRRRGAJSA-N 2 0 242.407 1.891 20 0 BDADRP C[C@H]([NH2+]C/C=C/c1ccccc1)C1C[NH2+]C1 ZINC000422983384 387794596 /nfs/dbraw/zinc/79/45/96/387794596.db2.gz ZFWCTSMHDGXXCG-ZCRIDZFUSA-N 2 0 216.328 1.897 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC[C@H]1CCCOC1 ZINC000527931577 387795090 /nfs/dbraw/zinc/79/50/90/387795090.db2.gz SZBITTKMMQBHFW-MGPQQGTHSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1ccc(O)cc1 ZINC000422985314 387796594 /nfs/dbraw/zinc/79/65/94/387796594.db2.gz DBTFGLGSXWIEMK-SWLSCSKDSA-N 2 0 248.370 1.912 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CC1(CCO)CCC1 ZINC000422986529 387796697 /nfs/dbraw/zinc/79/66/97/387796697.db2.gz CQCXJKHVBGUXDB-GFCCVEGCSA-N 2 0 228.380 1.646 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@H](CO)c1ccccc1 ZINC000422989251 387797438 /nfs/dbraw/zinc/79/74/38/387797438.db2.gz AOVPDNSIVZMDCJ-MGPQQGTHSA-N 2 0 234.343 1.232 20 0 BDADRP CCOc1cccc(CC[NH2+][C@@H](C)C2C[NH2+]C2)c1 ZINC000422992447 387799376 /nfs/dbraw/zinc/79/93/76/387799376.db2.gz CJPJCFQQZMBYBY-LBPRGKRZSA-N 2 0 248.370 1.825 20 0 BDADRP CCO[C@@]1(C)C[C@H]1[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000527975240 387813186 /nfs/dbraw/zinc/81/31/86/387813186.db2.gz SKACMEXZNXQANE-QNSTZXKLSA-N 2 0 240.391 1.872 20 0 BDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000422990971 387801146 /nfs/dbraw/zinc/80/11/46/387801146.db2.gz OVOHPDPJBYVIAW-VOAKCMCISA-N 2 0 225.380 1.044 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)CCO1 ZINC000422999332 387804469 /nfs/dbraw/zinc/80/44/69/387804469.db2.gz XSQVMBIGPQHPDI-AAVRWANBSA-N 2 0 240.391 1.779 20 0 BDADRP [NH3+]CC1CCC([NH2+]CCNc2ccccn2)CC1 ZINC000423001577 387805689 /nfs/dbraw/zinc/80/56/89/387805689.db2.gz FATYGEBYWZUDJB-UHFFFAOYSA-N 2 0 248.374 1.601 20 0 BDADRP CC(C)O[C@@]1(C)C[C@H]1[NH2+][C@@H]1CCN(C)C[C@H]1C ZINC000527998238 387806349 /nfs/dbraw/zinc/80/63/49/387806349.db2.gz KXDQACVWTAULRE-SYQHCUMBSA-N 2 0 240.391 1.872 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1ccco1 ZINC000422963126 387813420 /nfs/dbraw/zinc/81/34/20/387813420.db2.gz HPBJKKBRWDEBSN-DGCLKSJQSA-N 2 0 222.332 1.800 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@@H](C)C(=O)N1CCCCC1 ZINC000422957305 387809125 /nfs/dbraw/zinc/80/91/25/387809125.db2.gz NDTWFRSYXLHWHS-UTUOFQBUSA-N 2 0 241.379 1.103 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CC1(C)C ZINC000422956503 387809730 /nfs/dbraw/zinc/80/97/30/387809730.db2.gz PSYFZFXUWRQXCH-USZNOCQGSA-N 2 0 226.364 1.374 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000422883165 387758516 /nfs/dbraw/zinc/75/85/16/387758516.db2.gz BSQBQSWXOTWFGM-KIJLLGNVSA-N 2 0 226.364 1.659 20 0 BDADRP CC[N@H+](CCN[C@@H]1CC[NH2+]CC[C@H]1C)C(C)C ZINC000422885944 387760141 /nfs/dbraw/zinc/76/01/41/387760141.db2.gz ZPAWDGGXORLVIB-ZIAGYGMSSA-N 2 0 241.423 1.694 20 0 BDADRP CC[N@H+](CCN[C@H](C)C[C@@H](C)[NH3+])C(C)C ZINC000422885143 387760608 /nfs/dbraw/zinc/76/06/08/387760608.db2.gz YFPJQLNOBOYSDG-VXGBXAGGSA-N 2 0 215.385 1.432 20 0 BDADRP C[C@H]([NH3+])CN[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000643527050 387760948 /nfs/dbraw/zinc/76/09/48/387760948.db2.gz CGFGHOLDIPYJPE-YDHLFZDLSA-N 2 0 247.386 1.586 20 0 BDADRP CC(C)[C@](C)(O)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422973989 387823427 /nfs/dbraw/zinc/82/34/27/387823427.db2.gz DCICHXCPOGYOEY-WXRRBKDZSA-N 2 0 228.380 1.501 20 0 BDADRP CC[C@@H]([NH2+]C[C@@](C)(O)CC)[C@@H]1CCC[NH2+]1 ZINC000422974941 387824693 /nfs/dbraw/zinc/82/46/93/387824693.db2.gz FSKKWQGAVUYYQP-WOPDTQHZSA-N 2 0 214.353 1.268 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CCCOC)[C@H](C)C1 ZINC000151653394 387873021 /nfs/dbraw/zinc/87/30/21/387873021.db2.gz WOICKGYDXCLTFQ-NEPJUHHUSA-N 2 0 214.353 1.343 20 0 BDADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422975875 387825622 /nfs/dbraw/zinc/82/56/22/387825622.db2.gz HOYQPJUINHBMDC-LERXQTSPSA-N 2 0 234.343 1.793 20 0 BDADRP CC(C)[C@@H](O)C(C)(C)C[NH2+][C@@H](C)CCC[NH3+] ZINC000423005053 387827386 /nfs/dbraw/zinc/82/73/86/387827386.db2.gz QJXCOFDJKZIZPI-NWDGAFQWSA-N 2 0 230.396 1.747 20 0 BDADRP [NH3+]CC1CCC([NH2+]C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000423006984 387828778 /nfs/dbraw/zinc/82/87/78/387828778.db2.gz PROIJRVEDWLYSJ-GNRIBBGQSA-N 2 0 240.391 1.645 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCc1c[nH]c2ncccc12 ZINC000423005604 387828819 /nfs/dbraw/zinc/82/88/19/387828819.db2.gz SKYLTZIALDKPDY-CHWSQXEVSA-N 2 0 244.342 1.575 20 0 BDADRP CC[C@H](C[C@H](C)CO)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423007125 387829286 /nfs/dbraw/zinc/82/92/86/387829286.db2.gz PVGOYGPEICNXID-WUHRBBMRSA-N 2 0 228.380 1.514 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCNc1ccccn1 ZINC000423008186 387831666 /nfs/dbraw/zinc/83/16/66/387831666.db2.gz SNTHHFVTNLSRML-STQMWFEESA-N 2 0 248.374 1.471 20 0 BDADRP Cc1cncc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000423008839 387832063 /nfs/dbraw/zinc/83/20/63/387832063.db2.gz BFXAEFCADZOXTA-MNOVXSKESA-N 2 0 207.321 1.605 20 0 BDADRP CC[C@H]([NH2+]CC(C)(C)CCO)[C@@H]1CCC[NH2+]1 ZINC000423011078 387833164 /nfs/dbraw/zinc/83/31/64/387833164.db2.gz YXDQDXNWOVLMKW-RYUDHWBXSA-N 2 0 228.380 1.515 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1ccncc1 ZINC000423010791 387834305 /nfs/dbraw/zinc/83/43/05/387834305.db2.gz YIQCIHYQFBEVQM-OCCSQVGLSA-N 2 0 233.359 1.602 20 0 BDADRP CC[C@@H](CSC)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423012443 387835143 /nfs/dbraw/zinc/83/51/43/387835143.db2.gz DAZBXTIJMIMIDN-OUAUKWLOSA-N 2 0 216.394 1.858 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CC1(CO)CC1 ZINC000643459332 387835335 /nfs/dbraw/zinc/83/53/35/387835335.db2.gz NZNXRPVDMCFLQH-QWRGUYRKSA-N 2 0 212.337 1.009 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000423013663 387835729 /nfs/dbraw/zinc/83/57/29/387835729.db2.gz NEPSFKBURDZWQX-FSZOTQKASA-N 2 0 212.337 1.269 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@@H]2CCO[C@@H]2C2CC2)CC1 ZINC000423014024 387836638 /nfs/dbraw/zinc/83/66/38/387836638.db2.gz NVSFWVSFJITLIU-CCAROEGRSA-N 2 0 238.375 1.661 20 0 BDADRP CC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])[C@H]1CCCO1 ZINC000423012731 387836640 /nfs/dbraw/zinc/83/66/40/387836640.db2.gz LFPVEPWTPTUMDY-WHOHXGKFSA-N 2 0 214.353 1.659 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000423013666 387836819 /nfs/dbraw/zinc/83/68/19/387836819.db2.gz NEPSFKBURDZWQX-XPXLGCRWSA-N 2 0 212.337 1.269 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCSCC(F)(F)F ZINC000423018964 387841259 /nfs/dbraw/zinc/84/12/59/387841259.db2.gz SQXXOLLTEIBEGH-SFYZADRCSA-N 2 0 244.326 1.997 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CC12CCC(CC1)C2 ZINC000423017203 387841266 /nfs/dbraw/zinc/84/12/66/387841266.db2.gz VWUOBUFXAHJBHJ-ROKHWSDSSA-N 2 0 240.391 1.910 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCSCC(F)(F)F ZINC000423016853 387842235 /nfs/dbraw/zinc/84/22/35/387842235.db2.gz NKFJQKVYIVKMSN-SFYZADRCSA-N 2 0 242.310 1.751 20 0 BDADRP C[C@@H](NCC[C@H](C)[NH+]1CCCCC1)C1C[NH2+]C1 ZINC000423026499 387842817 /nfs/dbraw/zinc/84/28/17/387842817.db2.gz BJPYKJDDPRSGGR-QWHCGFSZSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H](Cc1cccs1)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000643533401 387845690 /nfs/dbraw/zinc/84/56/90/387845690.db2.gz QYNNVIJMJKAYOG-OHBODLIOSA-N 2 0 222.357 1.487 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC[C@H]1CCCO1 ZINC000643459704 387848587 /nfs/dbraw/zinc/84/85/87/387848587.db2.gz SYYNXTXRBSDZMX-UPJWGTAASA-N 2 0 226.364 1.805 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCN(C)[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000423032429 387848668 /nfs/dbraw/zinc/84/86/68/387848668.db2.gz MSKFOGCTURNMKS-ZDEQEGDKSA-N 2 0 225.380 1.057 20 0 BDADRP C[C@@H]1[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[N@@H+]1C ZINC000423034161 387849108 /nfs/dbraw/zinc/84/91/08/387849108.db2.gz PMIFKRZYGLBJDQ-YIPFDTCYSA-N 2 0 237.391 1.342 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCN(C)[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000423032428 387849426 /nfs/dbraw/zinc/84/94/26/387849426.db2.gz MSKFOGCTURNMKS-WUHRBBMRSA-N 2 0 225.380 1.057 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C1Cc2ccccc2C1 ZINC000423031907 387849635 /nfs/dbraw/zinc/84/96/35/387849635.db2.gz DWNSPLILUPUUEE-WDEREUQCSA-N 2 0 218.344 1.869 20 0 BDADRP CC1=CCN(CC[NH2+]C2CCC([NH3+])CC2)CC1 ZINC000423042241 387855090 /nfs/dbraw/zinc/85/50/90/387855090.db2.gz YTNBFHIGLHYKLG-UHFFFAOYSA-N 2 0 237.391 1.498 20 0 BDADRP C[C@H](C[NH+]1CCCCCC1)N[C@@H]1CC[NH2+]C1 ZINC000423045092 387855454 /nfs/dbraw/zinc/85/54/54/387855454.db2.gz BKOQHUXERASUAI-CHWSQXEVSA-N 2 0 225.380 1.202 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])[C@@H]1CCCCO1 ZINC000423051015 387859180 /nfs/dbraw/zinc/85/91/80/387859180.db2.gz ZLNKGRILUBWWAU-YFKTTZPYSA-N 2 0 214.353 1.659 20 0 BDADRP CCn1cc([C@@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)cn1 ZINC000643534806 387860509 /nfs/dbraw/zinc/86/05/09/387860509.db2.gz DALJZUOOVJFSEC-DGCLKSJQSA-N 2 0 248.374 1.696 20 0 BDADRP CO[C@H](C)C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423056505 387862278 /nfs/dbraw/zinc/86/22/78/387862278.db2.gz GAYISZGOEVQYQK-DYEKYZERSA-N 2 0 236.359 1.569 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC1(CO)CCCC1 ZINC000423054168 387862407 /nfs/dbraw/zinc/86/24/07/387862407.db2.gz UACXRYIBCAFPIW-MNOVXSKESA-N 2 0 212.337 1.009 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000423003094 387862706 /nfs/dbraw/zinc/86/27/06/387862706.db2.gz GXMKXSXESSLCGA-CYDGBPFRSA-N 2 0 226.364 1.255 20 0 BDADRP C[NH+](C)C1(CN[C@@H]2CCCCC[C@@H]2[NH3+])CCC1 ZINC000423059075 387864601 /nfs/dbraw/zinc/86/46/01/387864601.db2.gz KZKYYYBPETXQRN-QWHCGFSZSA-N 2 0 239.407 1.720 20 0 BDADRP CC[C@H](NCC1([NH+](C)C)CCC1)[C@@H]1CCC[NH2+]1 ZINC000423063694 387867819 /nfs/dbraw/zinc/86/78/19/387867819.db2.gz XGGVAFUSKBVWMJ-STQMWFEESA-N 2 0 239.407 1.591 20 0 BDADRP CCOC1CC(CC[NH2+][C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000423064719 387868065 /nfs/dbraw/zinc/86/80/65/387868065.db2.gz AGASCKGRQFYOEF-IFWUJCSASA-N 2 0 226.364 1.661 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCC[C@H]1CCO ZINC000423063504 387868120 /nfs/dbraw/zinc/86/81/20/387868120.db2.gz OUXMMBSYUSVAAY-FRRDWIJNSA-N 2 0 228.380 1.645 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@H]12)[C@@H]1CCC[NH2+]1 ZINC000423061661 387868397 /nfs/dbraw/zinc/86/83/97/387868397.db2.gz RDNVZIQOMOXLEX-OFTGVCEQSA-N 2 0 224.348 1.284 20 0 BDADRP CCC(O)(CC)CC[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000423065211 387869751 /nfs/dbraw/zinc/86/97/51/387869751.db2.gz BBPXBPYSDRJTRM-WDEREUQCSA-N 2 0 214.353 1.397 20 0 BDADRP CC1(C)CCC[N@H+](CCN[C@H]2CCC[C@@H]2[NH3+])C1 ZINC000423070517 387871148 /nfs/dbraw/zinc/87/11/48/387871148.db2.gz CYLYFIVCZFSKIJ-STQMWFEESA-N 2 0 239.407 1.578 20 0 BDADRP CO[C@@H](CC[NH2+][C@H](C)CCC[NH3+])C(F)(F)F ZINC000423072101 387871420 /nfs/dbraw/zinc/87/14/20/387871420.db2.gz PDMUZLWRLOCGGI-BDAKNGLRSA-N 2 0 242.285 1.671 20 0 BDADRP CCOC1CC(CC[NH2+][C@@H](C)C[C@@H](C)[NH3+])C1 ZINC000423069752 387871707 /nfs/dbraw/zinc/87/17/07/387871707.db2.gz LZCAIBZLNMKADJ-IALDZJHCSA-N 2 0 228.380 1.907 20 0 BDADRP CC(C)[C@@H](C[NH3+])C(=O)Nc1ccc(C[NH3+])cc1 ZINC000433143742 387871977 /nfs/dbraw/zinc/87/19/77/387871977.db2.gz IPQZHTRHYZQYRA-GFCCVEGCSA-N 2 0 235.331 1.315 20 0 BDADRP CCO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000527974819 387814352 /nfs/dbraw/zinc/81/43/52/387814352.db2.gz PLNMPGXTBXXCCO-SYQHCUMBSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(c2ccccn2)C1 ZINC000422967266 387815480 /nfs/dbraw/zinc/81/54/80/387815480.db2.gz OUJNNGONTXDZBO-CHWSQXEVSA-N 2 0 248.374 1.377 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(CO)c(F)c1 ZINC000422965409 387816654 /nfs/dbraw/zinc/81/66/54/387816654.db2.gz OMYOGJCOKGPQAM-SNVBAGLBSA-N 2 0 240.322 1.535 20 0 BDADRP COc1cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])ccn1 ZINC000422968232 387817133 /nfs/dbraw/zinc/81/71/33/387817133.db2.gz VSQAKIFXDUGYPP-UWVGGRQHSA-N 2 0 223.320 1.306 20 0 BDADRP CC[N@@H+]1CC[C@H](N(C)C[C@@H](C)[NH3+])C[C@H]1C ZINC000442666664 387818672 /nfs/dbraw/zinc/81/86/72/387818672.db2.gz VWGNDIYRABCNMW-UTUOFQBUSA-N 2 0 213.369 1.138 20 0 BDADRP C[C@@H]1CSC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423107592 387890898 /nfs/dbraw/zinc/89/08/98/387890898.db2.gz KZOGGVKIZJWVAA-NXQJVVEESA-N 2 0 226.389 1.611 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000423105382 387891464 /nfs/dbraw/zinc/89/14/64/387891464.db2.gz IIWJBYHCRASBLV-XJFOESAGSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H]1COCC[C@@H]1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000423115899 387898892 /nfs/dbraw/zinc/89/88/92/387898892.db2.gz YYTCYYIMDFCFHV-NELGMTEASA-N 2 0 240.391 1.766 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000423112171 387895058 /nfs/dbraw/zinc/89/50/58/387895058.db2.gz RNMPJWGVGJHGRW-QEYWKRMJSA-N 2 0 218.291 1.747 20 0 BDADRP CC(C)SCC[NH2+][C@H](C)C1C[NH2+]C1 ZINC000423115032 387895210 /nfs/dbraw/zinc/89/52/10/387895210.db2.gz WXYNCPLUZAMANO-SECBINFHSA-N 2 0 202.367 1.326 20 0 BDADRP CCC[N@@H+]1CCC[C@H]1CN[C@@H](C)C[C@@H](C)[NH3+] ZINC000423114945 387895263 /nfs/dbraw/zinc/89/52/63/387895263.db2.gz WMGOGYDSDDOZRI-AGIUHOORSA-N 2 0 227.396 1.576 20 0 BDADRP CC[C@](C)(C[NH2+]CC1CC[NH+](C)CC1)OC ZINC000322509717 387877773 /nfs/dbraw/zinc/87/77/73/387877773.db2.gz IPSJUDAGNSDWPM-CYBMUJFWSA-N 2 0 228.380 1.733 20 0 BDADRP C[C@@H]([NH2+]C[C@@](C)(O)C1CCCCC1)C1C[NH2+]C1 ZINC000423083883 387877911 /nfs/dbraw/zinc/87/79/11/387877911.db2.gz ZJEPPFDPBDLPQO-BXUZGUMPSA-N 2 0 240.391 1.515 20 0 BDADRP CC(C)[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)C(C)(C)O ZINC000423083133 387878227 /nfs/dbraw/zinc/87/82/27/387878227.db2.gz YIKPYRHNFFROCH-TUAOUCFPSA-N 2 0 228.380 1.512 20 0 BDADRP COC[C@H]([NH2+][C@H](C)CCCC[NH3+])[C@H]1CCCO1 ZINC000423090265 387883016 /nfs/dbraw/zinc/88/30/16/387883016.db2.gz XBINKVQUNMVRKE-FRRDWIJNSA-N 2 0 244.379 1.288 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)NC1CC([NH+]2CCCCC2)C1 ZINC000423096437 387885890 /nfs/dbraw/zinc/88/58/90/387885890.db2.gz OVFJGBIFVCBMGF-KBHBFKLGSA-N 2 0 239.407 1.719 20 0 BDADRP COCC[C@H]([NH2+][C@H](C)C1C[NH2+]C1)C(C)(C)C ZINC000423117600 387898704 /nfs/dbraw/zinc/89/87/04/387898704.db2.gz WERJHRHAEDFTMO-PWSUYJOCSA-N 2 0 228.380 1.635 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000423099026 387887281 /nfs/dbraw/zinc/88/72/81/387887281.db2.gz ABHOXLUJXYFAHI-AVGNSLFASA-N 2 0 228.380 1.229 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1CCCSC1 ZINC000423119577 387901499 /nfs/dbraw/zinc/90/14/99/387901499.db2.gz DYXZRWGYTRIOTO-AXFHLTTASA-N 2 0 216.394 1.845 20 0 BDADRP CCC[C@H](C)C(=O)NCC[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000423120956 387901676 /nfs/dbraw/zinc/90/16/76/387901676.db2.gz ACOMJNXZDJTNAK-SRVKXCTJSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCCOC1 ZINC000423124935 387902096 /nfs/dbraw/zinc/90/20/96/387902096.db2.gz PKHOMEYAYULFLO-BPLDGKMQSA-N 2 0 248.370 1.714 20 0 BDADRP COCC(C)(C)C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423123874 387902557 /nfs/dbraw/zinc/90/25/57/387902557.db2.gz FJMVBDSFKNJEFZ-NWDGAFQWSA-N 2 0 228.380 1.909 20 0 BDADRP CCC[C@H](C)C(=O)NCC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000423124694 387902593 /nfs/dbraw/zinc/90/25/93/387902593.db2.gz GZXSWHWPLDECNH-TUAOUCFPSA-N 2 0 243.395 1.254 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc2cc[nH]c2n1 ZINC000423124734 387902862 /nfs/dbraw/zinc/90/28/62/387902862.db2.gz OXXOKAJIRCOMRK-SNVBAGLBSA-N 2 0 232.331 1.780 20 0 BDADRP CCCC[N@H+](C)C[C@@H](C)N[C@H](C)C1C[NH2+]C1 ZINC000423123859 387903125 /nfs/dbraw/zinc/90/31/25/387903125.db2.gz NOVPWLIEGXPVNJ-VXGBXAGGSA-N 2 0 227.396 1.304 20 0 BDADRP F[C@@H]1CC[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000423123279 387903583 /nfs/dbraw/zinc/90/35/83/387903583.db2.gz KXPJWHHWZCIBJZ-OUAUKWLOSA-N 2 0 200.301 1.609 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CC[C@H](F)C1 ZINC000423125681 387904715 /nfs/dbraw/zinc/90/47/15/387904715.db2.gz NVVOSTSGDUTHPH-RHYQMDGZSA-N 2 0 214.328 1.855 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000423130383 387906699 /nfs/dbraw/zinc/90/66/99/387906699.db2.gz SAWFPUQYBWBCAL-LOWDOPEQSA-N 2 0 226.364 1.255 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1COc2ccccc21 ZINC000423129526 387907856 /nfs/dbraw/zinc/90/78/56/387907856.db2.gz XGJSLCAZMGDVPJ-QJPTWQEYSA-N 2 0 234.343 1.878 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC1CC(F)(F)C1 ZINC000423131541 387908932 /nfs/dbraw/zinc/90/89/32/387908932.db2.gz OCFUBGUKKXZKIS-YUMQZZPRSA-N 2 0 206.280 1.747 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000423131416 387909171 /nfs/dbraw/zinc/90/91/71/387909171.db2.gz SVMGAPUCXBKICZ-FVCCEPFGSA-N 2 0 228.380 1.501 20 0 BDADRP COCC(C)(C)C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423136197 387914546 /nfs/dbraw/zinc/91/45/46/387914546.db2.gz UVTAUYYHJDILQU-NXEZZACHSA-N 2 0 202.342 1.374 20 0 BDADRP CC[C@H]([NH2+]C[C@@H](CO)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423141223 387917372 /nfs/dbraw/zinc/91/73/72/387917372.db2.gz OPMNXTGGGZZYRC-AVGNSLFASA-N 2 0 226.364 1.125 20 0 BDADRP CC(C)(C[NH2+][C@H]1CCC[C@@H]1[NH3+])C1(O)CCCC1 ZINC000423157868 387937311 /nfs/dbraw/zinc/93/73/11/387937311.db2.gz BTICYTLJJLWTHB-RYUDHWBXSA-N 2 0 240.391 1.787 20 0 BDADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000392198425 387934072 /nfs/dbraw/zinc/93/40/72/387934072.db2.gz WDDSFRVVPTVEEY-KBPBESRZSA-N 3 0 237.391 1.355 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCC1(F)F ZINC000423154930 387935139 /nfs/dbraw/zinc/93/51/39/387935139.db2.gz PPYXYFNQDCPBGO-IVZWLZJFSA-N 2 0 218.291 1.891 20 0 BDADRP O[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423157106 387936338 /nfs/dbraw/zinc/93/63/38/387936338.db2.gz AHKJAXNJDIJJKY-NZEXEKPDSA-N 2 0 224.348 1.020 20 0 BDADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000423163830 387922534 /nfs/dbraw/zinc/92/25/34/387922534.db2.gz NOLWXUKMZJZUCV-NDBYEHHHSA-N 2 0 226.364 1.659 20 0 BDADRP CCC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[NH3+])OC ZINC000423146408 387923598 /nfs/dbraw/zinc/92/35/98/387923598.db2.gz PDUTVKKRORFNNN-OUAUKWLOSA-N 2 0 200.326 1.271 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCC[C@H]1F)[C@@H]1CC[NH2+]C1 ZINC000423147471 387924698 /nfs/dbraw/zinc/92/46/98/387924698.db2.gz SECPRWXSCBYXCF-DBIOUOCHSA-N 2 0 200.301 1.465 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000423147229 387925969 /nfs/dbraw/zinc/92/59/69/387925969.db2.gz RKYUIEFIACKBIF-WYUUTHIRSA-N 2 0 214.328 1.855 20 0 BDADRP CC[C@H]([NH2+][C@H](C)CCCCO)[C@@H]1CCC[NH2+]1 ZINC000423150242 387927073 /nfs/dbraw/zinc/92/70/73/387927073.db2.gz BIPIUBGHQBRGOX-AGIUHOORSA-N 2 0 228.380 1.658 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000423149805 387927173 /nfs/dbraw/zinc/92/71/73/387927173.db2.gz XWJWBTGENFMPSZ-VPOLOUISSA-N 2 0 200.301 1.594 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@@H]1F ZINC000423149170 387927657 /nfs/dbraw/zinc/92/76/57/387927657.db2.gz XHOQXBIRCFNMEK-GARJFASQSA-N 2 0 218.316 1.221 20 0 BDADRP F[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000423148808 387927842 /nfs/dbraw/zinc/92/78/42/387927842.db2.gz WOIGKHNCAVFNGL-AXFHLTTASA-N 2 0 200.301 1.609 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000423149808 387927969 /nfs/dbraw/zinc/92/79/69/387927969.db2.gz XWJWBTGENFMPSZ-ZNSHCXBVSA-N 2 0 200.301 1.594 20 0 BDADRP C[C@H]([C@@H]1CC[NH2+]C1)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000423167114 387951997 /nfs/dbraw/zinc/95/19/97/387951997.db2.gz WMKSVEHKIYIEAZ-MGPQQGTHSA-N 2 0 238.375 1.487 20 0 BDADRP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423167961 387952663 /nfs/dbraw/zinc/95/26/63/387952663.db2.gz SXMLKLHMEIPSFY-NNYUYHANSA-N 2 0 214.353 1.659 20 0 BDADRP Cc1ccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)nc1 ZINC000227353493 387956566 /nfs/dbraw/zinc/95/65/66/387956566.db2.gz GQIIEKVDFWHMDD-STQMWFEESA-N 2 0 233.359 1.949 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000423168473 387954280 /nfs/dbraw/zinc/95/42/80/387954280.db2.gz XZTCFHUNCSWIKR-SYQHCUMBSA-N 2 0 240.391 1.515 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)CC[C@H](C)[NH3+])c1 ZINC000424235808 387941203 /nfs/dbraw/zinc/94/12/03/387941203.db2.gz IJRSVEZSWNJGSO-JTQLQIEISA-N 2 0 235.331 1.520 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000423160490 387941808 /nfs/dbraw/zinc/94/18/08/387941808.db2.gz HLZRYGDGBXNRJV-NDBYEHHHSA-N 2 0 226.364 1.532 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)[C@H]([NH3+])C2CCC2)c1 ZINC000424242362 387942156 /nfs/dbraw/zinc/94/21/56/387942156.db2.gz OSEVRPPCTVGECL-CYBMUJFWSA-N 2 0 247.342 1.520 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)[C@H]1CCCC[NH2+]1 ZINC000423162805 387942992 /nfs/dbraw/zinc/94/29/92/387942992.db2.gz QFXLAEPQVDCHGK-SYQHCUMBSA-N 2 0 240.391 1.658 20 0 BDADRP COC[C@@H](C)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000245431106 387946389 /nfs/dbraw/zinc/94/63/89/387946389.db2.gz AMMUAVZBYRLIKI-ZIAGYGMSSA-N 2 0 240.391 1.972 20 0 BDADRP COC(=O)CC1CC([NH2+]C[C@@H]2CCCN2C)C1 ZINC000424271216 387948339 /nfs/dbraw/zinc/94/83/39/387948339.db2.gz RPYQLVFGVMVHDP-MCIGGMRASA-N 2 0 240.347 1.012 20 0 BDADRP CC[C@H](C)[C@@H](C[NH2+][C@@H](C)C1C[NH2+]C1)OC ZINC000423165957 387949462 /nfs/dbraw/zinc/94/94/62/387949462.db2.gz YNEXBUJWVGZDMM-JBLDHEPKSA-N 2 0 214.353 1.245 20 0 BDADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@H](C)C2C[NH2+]C2)C1 ZINC000423165846 387950529 /nfs/dbraw/zinc/95/05/29/387950529.db2.gz QMPLEYAVISWWCE-JLLWLGSASA-N 2 0 212.337 1.140 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000423167067 387950799 /nfs/dbraw/zinc/95/07/99/387950799.db2.gz WDZOKLLONBHSJY-SYQHCUMBSA-N 2 0 240.391 1.645 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000423167064 387951042 /nfs/dbraw/zinc/95/10/42/387951042.db2.gz WDZOKLLONBHSJY-DGAVXFQQSA-N 2 0 240.391 1.645 20 0 BDADRP COCC[C@H](C)C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423171287 387956543 /nfs/dbraw/zinc/95/65/43/387956543.db2.gz NZRJTADURBURKS-RWMBFGLXSA-N 2 0 228.380 1.909 20 0 BDADRP CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423167959 387951605 /nfs/dbraw/zinc/95/16/05/387951605.db2.gz SXMLKLHMEIPSFY-DDHJBXDOSA-N 2 0 214.353 1.659 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000423172447 387959673 /nfs/dbraw/zinc/95/96/73/387959673.db2.gz SYCKXIODLJABKH-OCCSQVGLSA-N 3 0 244.342 1.551 20 0 BDADRP COC[C@@H]([NH2+]CCC[NH3+])c1ccc(Cl)cc1 ZINC000423177093 387963622 /nfs/dbraw/zinc/96/36/22/387963622.db2.gz AFBBKSMHKSXXDB-GFCCVEGCSA-N 2 0 242.750 1.966 20 0 BDADRP COC[C@H]([NH2+]CCC[NH3+])c1ccc(Cl)cc1 ZINC000423177094 387964418 /nfs/dbraw/zinc/96/44/18/387964418.db2.gz AFBBKSMHKSXXDB-LBPRGKRZSA-N 2 0 242.750 1.966 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@H](CO)C1)[C@@H]1CCC[NH2+]1 ZINC000423188022 387972273 /nfs/dbraw/zinc/97/22/73/387972273.db2.gz PXMQFUQJIJENSZ-CYDGBPFRSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@@H]([NH2+]CCC[NH3+])c1ccc(F)cc1N(C)C ZINC000423181133 387968098 /nfs/dbraw/zinc/96/80/98/387968098.db2.gz FRFATCVBXOEKIM-SNVBAGLBSA-N 2 0 239.338 1.891 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC[C@@H]2C)CS1 ZINC000423183546 387968623 /nfs/dbraw/zinc/96/86/23/387968623.db2.gz MOPVDDHFZMDUNR-USZNOCQGSA-N 2 0 228.405 1.858 20 0 BDADRP COc1ccc([C@@H](NCC[NH3+])[C@H]2CCC[NH2+]2)cc1 ZINC000423183680 387969397 /nfs/dbraw/zinc/96/93/97/387969397.db2.gz LORYNWVJSFZXDR-ZIAGYGMSSA-N 2 0 249.358 1.037 20 0 BDADRP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CCC[NH3+] ZINC000423183824 387969524 /nfs/dbraw/zinc/96/95/24/387969524.db2.gz HWDZNGNJJCWFQO-DGCLKSJQSA-N 2 0 222.332 1.701 20 0 BDADRP [NH3+]CCCc1nc(C2([NH3+])CCCCC2)no1 ZINC000424336623 387979716 /nfs/dbraw/zinc/97/97/16/387979716.db2.gz JQFCNZGQOWNDAX-UHFFFAOYSA-N 2 0 224.308 1.079 20 0 BDADRP C[C@@H](NCC1([NH3+])CCCCC1)[C@H]1CCC[NH2+]1 ZINC000423187885 387972487 /nfs/dbraw/zinc/97/24/87/387972487.db2.gz YJMSIRZXVIZQRT-VXGBXAGGSA-N 2 0 225.380 1.378 20 0 BDADRP CCC1(CC)[C@H]([NH2+]CCC[NH3+])C[C@@H]1OC ZINC000423190021 387972789 /nfs/dbraw/zinc/97/27/89/387972789.db2.gz NESLCJZIGLHLHK-MNOVXSKESA-N 2 0 214.353 1.519 20 0 BDADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)[C@@H]1CC1(C)C ZINC000423188765 387974564 /nfs/dbraw/zinc/97/45/64/387974564.db2.gz QHCSZUKKFJHGGQ-STQMWFEESA-N 2 0 239.407 1.306 20 0 BDADRP CCCCOCC[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424332649 387977068 /nfs/dbraw/zinc/97/70/68/387977068.db2.gz LBTIIYIFUYAFAD-VXGBXAGGSA-N 2 0 214.353 1.663 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+]CCC[NH2+]C)C12CCCC2 ZINC000423202217 387987817 /nfs/dbraw/zinc/98/78/17/387987817.db2.gz QHVZLNJOZAGVPF-STQMWFEESA-N 2 0 240.391 1.923 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000423201219 387988135 /nfs/dbraw/zinc/98/81/35/387988135.db2.gz OBRUFALNVHRTNZ-YNEHKIRRSA-N 2 0 238.375 1.533 20 0 BDADRP CC[C@@H]([NH2+]CCN1CC[NH2+]CC1)[C@@H]1CC1(C)C ZINC000423200882 387988224 /nfs/dbraw/zinc/98/82/24/387988224.db2.gz GUDDPIAWFHINGT-QWHCGFSZSA-N 2 0 239.407 1.306 20 0 BDADRP CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cnn(C)c1 ZINC000423203530 387990229 /nfs/dbraw/zinc/99/02/29/387990229.db2.gz CLKUPRSHHLHVGN-WCQYABFASA-N 2 0 236.363 1.460 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCCC[C@H]2[NH3+])CC[NH2+]1 ZINC000424362812 387990294 /nfs/dbraw/zinc/99/02/94/387990294.db2.gz AZSMRDQOSIHXBI-FDYHWXHSSA-N 3 0 225.380 1.234 20 0 BDADRP CC[C@H]([NH2+]CCN1CC[NH2+]CC1)C1CCCC1 ZINC000423204675 387990764 /nfs/dbraw/zinc/99/07/64/387990764.db2.gz OMAVXJKHJNYQHL-AWEZNQCLSA-N 2 0 239.407 1.450 20 0 BDADRP C[NH2+]CCCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000423205083 387991774 /nfs/dbraw/zinc/99/17/74/387991774.db2.gz VGBOLNCYDCUUFC-JHJVBQTASA-N 2 0 225.380 1.058 20 0 BDADRP C[C@H](CCC(C)(C)C)[NH2+]CCN1CC[NH2+]CC1 ZINC000423207500 387993145 /nfs/dbraw/zinc/99/31/45/387993145.db2.gz RROQDIJFYFTGMJ-CYBMUJFWSA-N 2 0 241.423 1.696 20 0 BDADRP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000423207829 387994297 /nfs/dbraw/zinc/99/42/97/387994297.db2.gz SHHAPROLAAXBHO-OLZOCXBDSA-N 2 0 239.407 1.306 20 0 BDADRP C[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423213596 387994710 /nfs/dbraw/zinc/99/47/10/387994710.db2.gz KAVDDINJOACRDF-RVMXOQNASA-N 3 0 225.380 1.105 20 0 BDADRP c1ccc2c(c1)CC[C@@H]2[NH2+]CCN1CC[NH2+]CC1 ZINC000423210198 387994956 /nfs/dbraw/zinc/99/49/56/387994956.db2.gz WGMVSNSTUNXTCY-HNNXBMFYSA-N 2 0 245.370 1.169 20 0 BDADRP Cc1ncc([C@@H](C)NC[C@H]2CCC[NH2+]C2)c(C)n1 ZINC000423213255 387995174 /nfs/dbraw/zinc/99/51/74/387995174.db2.gz NEDRTFWPBCOYMZ-MFKMUULPSA-N 2 0 248.374 1.744 20 0 BDADRP [NH3+]CCC[NH2+][C@H]1CCCNc2ccccc21 ZINC000423197160 387982551 /nfs/dbraw/zinc/98/25/51/387982551.db2.gz YDVURJYNTVRGCC-ZDUSSCGKSA-N 2 0 219.332 1.872 20 0 BDADRP C[NH2+]CCCc1nc(C2([NH3+])CCCCC2)no1 ZINC000424339693 387982834 /nfs/dbraw/zinc/98/28/34/387982834.db2.gz QRCQZLNBFFEMFZ-UHFFFAOYSA-N 2 0 238.335 1.340 20 0 BDADRP Cc1cc([C@@H](C)NC[C@@H](O)C[NH+](C)C)cs1 ZINC000453090241 387982936 /nfs/dbraw/zinc/98/29/36/387982936.db2.gz BVRCVSYJJFUMHV-ZYHUDNBSSA-N 2 0 242.388 1.630 20 0 BDADRP C[C@@H]([NH2+]CC1(C)CCOCC1)[C@H]1CCC[NH2+]1 ZINC000400519000 387995712 /nfs/dbraw/zinc/99/57/12/387995712.db2.gz GWGLIBNUILZUST-VXGBXAGGSA-N 2 0 226.364 1.533 20 0 BDADRP C[NH2+]CCC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423201215 387987134 /nfs/dbraw/zinc/98/71/34/387987134.db2.gz OBRUFALNVHRTNZ-FRRDWIJNSA-N 2 0 238.375 1.533 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])[C@H](C)O1 ZINC000424373219 387997688 /nfs/dbraw/zinc/99/76/88/387997688.db2.gz JDMIODVQJYAAPN-IYKVGLELSA-N 2 0 212.337 1.412 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCOCC1 ZINC000424371402 387997710 /nfs/dbraw/zinc/99/77/10/387997710.db2.gz UWPWUGFNTOEAJE-QJPTWQEYSA-N 2 0 212.337 1.415 20 0 BDADRP COC[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)C(C)C ZINC000156552066 387998244 /nfs/dbraw/zinc/99/82/44/387998244.db2.gz FQEGEXYBEFFCNQ-AVGNSLFASA-N 2 0 228.380 1.730 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000423218918 388000645 /nfs/dbraw/zinc/00/06/45/388000645.db2.gz SLHXWTJDRBKJCK-YFKTTZPYSA-N 2 0 214.353 1.388 20 0 BDADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000423221687 388001576 /nfs/dbraw/zinc/00/15/76/388001576.db2.gz XQOCZJYYHVVVBH-RFQIPJPRSA-N 2 0 239.407 1.304 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1cncc(F)c1 ZINC000423222904 388003949 /nfs/dbraw/zinc/00/39/49/388003949.db2.gz DEJFAVZGWMDFJX-IUCAKERBSA-N 2 0 211.284 1.609 20 0 BDADRP C[C@H]([NH3+])CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000423225283 388006959 /nfs/dbraw/zinc/00/69/59/388006959.db2.gz MBHVUGDSAHSBBK-UMSGYPCISA-N 2 0 225.380 1.186 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000423226417 388009032 /nfs/dbraw/zinc/00/90/32/388009032.db2.gz QPZRDRRWOQUKMS-YFKTTZPYSA-N 2 0 226.364 1.517 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000423226415 388009092 /nfs/dbraw/zinc/00/90/92/388009092.db2.gz QPZRDRRWOQUKMS-NNYUYHANSA-N 2 0 226.364 1.517 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000423226529 388009305 /nfs/dbraw/zinc/00/93/05/388009305.db2.gz RBNZEZRVULMUTI-ZANVPECISA-N 2 0 237.322 1.999 20 0 BDADRP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1cccc(CO)c1 ZINC000423226797 388011360 /nfs/dbraw/zinc/01/13/60/388011360.db2.gz SIKZQYCGIOSGNF-WDEREUQCSA-N 2 0 222.332 1.567 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@H]1CCCc2occc21 ZINC000423228373 388012581 /nfs/dbraw/zinc/01/25/81/388012581.db2.gz ZJGHJQJHDDVVDS-ONGXEEELSA-N 2 0 208.305 1.984 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)Cc1ccoc1)C[NH+](C)C ZINC000453227167 388016104 /nfs/dbraw/zinc/01/61/04/388016104.db2.gz CURABRLIBAITPO-NEPJUHHUSA-N 2 0 224.348 1.998 20 0 BDADRP CC(C)OCC[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252789917 135111184 /nfs/dbraw/zinc/11/11/84/135111184.db2.gz YHVYZVYHIKVTIX-WDEREUQCSA-N 2 0 200.326 1.081 20 0 BDADRP C[NH2+]CCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423238102 388022907 /nfs/dbraw/zinc/02/29/07/388022907.db2.gz FBNVKVHWMDJZJO-YNEHKIRRSA-N 2 0 225.380 1.106 20 0 BDADRP C[NH2+]C[C@H](C)CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423256396 388036462 /nfs/dbraw/zinc/03/64/62/388036462.db2.gz BUVYLFJSVAGMPD-LEWSCRJBSA-N 2 0 233.359 1.576 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423256080 388036681 /nfs/dbraw/zinc/03/66/81/388036681.db2.gz DJTGVOPWYRTZPQ-MGPQQGTHSA-N 3 0 239.407 1.306 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+][C@H]1CCCC12CCOCC2 ZINC000423256372 388036854 /nfs/dbraw/zinc/03/68/54/388036854.db2.gz BSTYDMJZMWZXGF-OLZOCXBDSA-N 2 0 240.391 1.781 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000423263047 388039859 /nfs/dbraw/zinc/03/98/59/388039859.db2.gz ALYYWSMUJOZNFT-WUHRBBMRSA-N 2 0 227.396 1.288 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1C[C@H]1CCSC1 ZINC000261527410 135151675 /nfs/dbraw/zinc/15/16/75/135151675.db2.gz AVZOJQYGYCJSHS-MXWKQRLJSA-N 2 0 214.378 1.409 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1[C@@H](C)[C@@H](OC)C1(C)C ZINC000423266172 388043749 /nfs/dbraw/zinc/04/37/49/388043749.db2.gz CYJIOESYAFTMEY-IRCOFANPSA-N 2 0 228.380 1.491 20 0 BDADRP CC[C@H]([NH2+]C[C@H](C)C[NH2+]C)[C@@H]1CCOC1 ZINC000423266098 388043766 /nfs/dbraw/zinc/04/37/66/388043766.db2.gz CTBUPHSHZMZNSS-UTUOFQBUSA-N 2 0 214.353 1.247 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@H]2CCSC2)C1 ZINC000261527694 135151823 /nfs/dbraw/zinc/15/18/23/135151823.db2.gz GCSPEAWARRXHAX-AXFHLTTASA-N 2 0 214.378 1.409 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1CCC[NH2+]1)[C@@H]1CCOC1 ZINC000423245036 388028660 /nfs/dbraw/zinc/02/86/60/388028660.db2.gz YAROSUBSCYKAJP-UTUOFQBUSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)C1CCSCC1 ZINC000423246341 388029909 /nfs/dbraw/zinc/02/99/09/388029909.db2.gz ZENHJMQWNAJABX-CMPLNLGQSA-N 2 0 228.405 1.860 20 0 BDADRP Cn1ncc2c1CCC[C@@H]2[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423246039 388030617 /nfs/dbraw/zinc/03/06/17/388030617.db2.gz JRCFLLHVRCSJGT-YPMHNXCESA-N 2 0 248.374 1.387 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@H]1CCCO1 ZINC000453278966 388031711 /nfs/dbraw/zinc/03/17/11/388031711.db2.gz DMPKCBRDQSIQEM-XQHKEYJVSA-N 2 0 226.364 1.484 20 0 BDADRP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCCOCC1 ZINC000083424307 388051905 /nfs/dbraw/zinc/05/19/05/388051905.db2.gz PFKNAKILDFCKOD-GFCCVEGCSA-N 2 0 228.380 1.733 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+][C@H]1CCCc2c1cnn2C ZINC000423273566 388053713 /nfs/dbraw/zinc/05/37/13/388053713.db2.gz LDAYVGPPGHDSGF-PWSUYJOCSA-N 2 0 236.363 1.243 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000453362444 388059384 /nfs/dbraw/zinc/05/93/84/388059384.db2.gz RFFNKVPHQKLESH-DGAVXFQQSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@@H]([NH2+]CC(C)(C)[NH3+])C1CCSCC1 ZINC000423281819 388063996 /nfs/dbraw/zinc/06/39/96/388063996.db2.gz BXHQXIAGOXYCQO-SECBINFHSA-N 2 0 216.394 1.845 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@H](COC)C(C)C ZINC000423284650 388066765 /nfs/dbraw/zinc/06/67/65/388066765.db2.gz YQBMBPVWAWBYJN-WDEREUQCSA-N 2 0 202.342 1.103 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](Cn1cccn1)C(C)C ZINC000423284689 388067707 /nfs/dbraw/zinc/06/77/07/388067707.db2.gz YSZXCVGXUSLBAG-STQMWFEESA-N 2 0 238.379 1.353 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)C[NH2+]C)C12CCC2 ZINC000423285040 388069060 /nfs/dbraw/zinc/06/90/60/388069060.db2.gz ZFADSKDUEDFEEO-RWMBFGLXSA-N 2 0 240.391 1.779 20 0 BDADRP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@H]([NH3+])C(C)C ZINC000423285925 388069633 /nfs/dbraw/zinc/06/96/33/388069633.db2.gz ZTXNTHMRRFCVMN-OLZOCXBDSA-N 2 0 238.379 1.481 20 0 BDADRP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CC(C)(C)[NH3+] ZINC000423286792 388070315 /nfs/dbraw/zinc/07/03/15/388070315.db2.gz IUFVNKHJFNIHOZ-WDEREUQCSA-N 2 0 228.380 1.907 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000453397109 388070639 /nfs/dbraw/zinc/07/06/39/388070639.db2.gz ZBQAVAXCPQCMDF-WUHRBBMRSA-N 2 0 226.364 1.077 20 0 BDADRP CCC([NH3+])(CC)CN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000423288020 388072810 /nfs/dbraw/zinc/07/28/10/388072810.db2.gz PYGVFIRQOBNQGQ-NWDGAFQWSA-N 2 0 227.396 1.576 20 0 BDADRP CC(C)([NH3+])C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423289322 388074359 /nfs/dbraw/zinc/07/43/59/388074359.db2.gz WTQBLWRGYPYSTG-IJLUTSLNSA-N 2 0 238.375 1.661 20 0 BDADRP CC(C)([NH3+])C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000423289217 388074958 /nfs/dbraw/zinc/07/49/58/388074958.db2.gz WMLPBSOKPMIHHS-JHJVBQTASA-N 2 0 240.391 1.909 20 0 BDADRP CCC([NH3+])(CC)C[NH2+][C@H](C)CCCC[NH3+] ZINC000423290893 388075145 /nfs/dbraw/zinc/07/51/45/388075145.db2.gz FVSRXADLYVVTNE-LLVKDONJSA-N 3 0 215.385 1.611 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@H]2CCC[C@@H]2O)CC1 ZINC000084231295 388075295 /nfs/dbraw/zinc/07/52/95/388075295.db2.gz LGPHVPSLOBDWMV-YPMHNXCESA-N 2 0 226.364 1.221 20 0 BDADRP CCC[NH2+]CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000423295476 388077731 /nfs/dbraw/zinc/07/77/31/388077731.db2.gz APZIECAJNBAJQV-CHWSQXEVSA-N 2 0 225.380 1.202 20 0 BDADRP C[C@@H](O)[C@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000118946532 388099705 /nfs/dbraw/zinc/09/97/05/388099705.db2.gz JBTDPOFJKGJVML-KGLIPLIRSA-N 2 0 240.391 1.565 20 0 BDADRP Cc1ncsc1CC[N@@H+](C)CC(C)(C)C[NH3+] ZINC000086638177 388105250 /nfs/dbraw/zinc/10/52/50/388105250.db2.gz QQMAAIABSILKRM-UHFFFAOYSA-N 2 0 241.404 1.911 20 0 BDADRP CC[C@@H](C)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000086723495 388108107 /nfs/dbraw/zinc/10/81/07/388108107.db2.gz XPSHIPHKYYPWKT-GFCCVEGCSA-N 2 0 228.380 1.862 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)[C@H](C)O1 ZINC000423268314 388046990 /nfs/dbraw/zinc/04/69/90/388046990.db2.gz FYRVPZUTKRPNIO-XQHKEYJVSA-N 2 0 226.364 1.532 20 0 BDADRP C[NH2+]C[C@H](C)CN[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000423269132 388047618 /nfs/dbraw/zinc/04/76/18/388047618.db2.gz GREAMFRDGUILDQ-QJPTWQEYSA-N 2 0 225.380 1.057 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H](CN)C1CCCCC1 ZINC000423270829 388048732 /nfs/dbraw/zinc/04/87/32/388048732.db2.gz WZOLYKKRSKAWEX-YPMHNXCESA-N 2 0 227.396 1.611 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@H](CN)C1CCCCC1 ZINC000423270828 388048849 /nfs/dbraw/zinc/04/88/49/388048849.db2.gz WZOLYKKRSKAWEX-WCQYABFASA-N 2 0 227.396 1.611 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@H]2CCSC2)C1 ZINC000261527695 135151958 /nfs/dbraw/zinc/15/19/58/135151958.db2.gz GCSPEAWARRXHAX-HBNTYKKESA-N 2 0 214.378 1.409 20 0 BDADRP CC(C)C[C@H](C[NH3+])N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000423269605 388049714 /nfs/dbraw/zinc/04/97/14/388049714.db2.gz VXIJHSVNEMPMBT-FRRDWIJNSA-N 2 0 227.396 1.432 20 0 BDADRP CCN(CCO)CC[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C ZINC000449250162 388162917 /nfs/dbraw/zinc/16/29/17/388162917.db2.gz OCUKJFWTZPCDDF-BFHYXJOUSA-N 2 0 242.407 1.715 20 0 BDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)CC(C)(C)[NH3+] ZINC000646012065 388124479 /nfs/dbraw/zinc/12/44/79/388124479.db2.gz FPHMVTUCGBQTMO-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP C[C@H](Cc1ccoc1)[NH2+]CCC[NH+](C)C ZINC000449062966 388137650 /nfs/dbraw/zinc/13/76/50/388137650.db2.gz LBVUWGWLYFFOAM-LLVKDONJSA-N 2 0 210.321 1.752 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000449104216 388142824 /nfs/dbraw/zinc/14/28/24/388142824.db2.gz FCLPWDYUABSAAO-VXGBXAGGSA-N 2 0 243.395 1.221 20 0 BDADRP CCC[NH2+][C@@H](C)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000449104215 388142908 /nfs/dbraw/zinc/14/29/08/388142908.db2.gz FCLPWDYUABSAAO-RYUDHWBXSA-N 2 0 243.395 1.221 20 0 BDADRP CCC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103320 388143085 /nfs/dbraw/zinc/14/30/85/388143085.db2.gz BWZHTJXXIBWSNR-UHFFFAOYSA-N 2 0 212.337 1.193 20 0 BDADRP C[NH+]1CCC2(CC1)C[N@H+](CC1CC1)CCO2 ZINC000646104625 388143515 /nfs/dbraw/zinc/14/35/15/388143515.db2.gz IPAHHJWUCUEDMW-UHFFFAOYSA-N 2 0 224.348 1.193 20 0 BDADRP CC(C)[NH+](CCCNC(=O)C[C@@H](C)[NH3+])C(C)C ZINC000646137129 388152891 /nfs/dbraw/zinc/15/28/91/388152891.db2.gz JTFZFYFLROYSRI-GFCCVEGCSA-N 2 0 243.395 1.349 20 0 BDADRP C[C@@H]1C[C@H]1C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000488585377 388190340 /nfs/dbraw/zinc/19/03/40/388190340.db2.gz UAHCOSLTQYHGKR-OLZOCXBDSA-N 2 0 239.407 1.258 20 0 BDADRP C[C@@H]1[C@@H](CO)CC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000488742032 388192451 /nfs/dbraw/zinc/19/24/51/388192451.db2.gz DIDIAPWMNBDSDF-JHJVBQTASA-N 2 0 226.364 1.173 20 0 BDADRP Cc1nccn1CC[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000489188038 388205492 /nfs/dbraw/zinc/20/54/92/388205492.db2.gz LLDMAMKIZSQCMA-ZDUSSCGKSA-N 2 0 235.331 1.038 20 0 BDADRP CC(C)[C@H]([NH3+])C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000489468536 388216313 /nfs/dbraw/zinc/21/63/13/388216313.db2.gz IQGOOUDHTHFPLP-MFKMUULPSA-N 2 0 249.358 1.306 20 0 BDADRP CCC[C@H]([NH3+])C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000489468823 388217108 /nfs/dbraw/zinc/21/71/08/388217108.db2.gz JIIQQCIQMBNPBF-MFKMUULPSA-N 2 0 249.358 1.450 20 0 BDADRP CC(C)[NH2+]CCC[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000517918496 256554263 /nfs/dbraw/zinc/55/42/63/256554263.db2.gz UFCSRRJUHBOBPP-LLVKDONJSA-N 2 0 241.379 1.021 20 0 BDADRP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]CCC1(CO)CC1 ZINC000449579673 388237443 /nfs/dbraw/zinc/23/74/43/388237443.db2.gz IRBASXJKYVJZEP-WCQYABFASA-N 2 0 238.375 1.221 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(CC)COC2)[C@@H](C)C1 ZINC000449596902 388239458 /nfs/dbraw/zinc/23/94/58/388239458.db2.gz CSEQOOGJLICHIH-STQMWFEESA-N 2 0 240.391 1.733 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)[C@@H]([NH3+])C(C)(C)C)cc1 ZINC000449620339 388244635 /nfs/dbraw/zinc/24/46/35/388244635.db2.gz URNZCFUPWOFDTL-GFCCVEGCSA-N 2 0 249.358 1.718 20 0 BDADRP CO[C@@H]1CN(CC(C)(C)[NH3+])CC[C@H]1C ZINC000261529191 135154748 /nfs/dbraw/zinc/15/47/48/135154748.db2.gz QDZUJMFRRGTMMC-NXEZZACHSA-N 2 0 200.326 1.081 20 0 BDADRP COC[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)C(C)C ZINC000336663620 388262179 /nfs/dbraw/zinc/26/21/79/388262179.db2.gz CPKPLUPSNKASLC-WOPDTQHZSA-N 2 0 214.353 1.245 20 0 BDADRP CC[NH+](CC)CCCN1CCC[C@@H](O)[C@H]1C ZINC000451452487 388275124 /nfs/dbraw/zinc/27/51/24/388275124.db2.gz GXTCGMLTWMYJAW-CHWSQXEVSA-N 2 0 228.380 1.564 20 0 BDADRP FCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000261529594 135155773 /nfs/dbraw/zinc/15/57/73/135155773.db2.gz UAMAXWQQEGXYOQ-HBNTYKKESA-N 2 0 200.301 1.466 20 0 BDADRP Cn1nccc1CC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000300066180 388348832 /nfs/dbraw/zinc/34/88/32/388348832.db2.gz QBMLAGXPFHSJDH-YUTCNCBUSA-N 2 0 248.374 1.022 20 0 BDADRP CC[C@H]1C[C@@H](C)C[N@@H+]1CCOCC[NH3+] ZINC000261532131 135162192 /nfs/dbraw/zinc/16/21/92/135162192.db2.gz JGWGEBSUFODTCK-MNOVXSKESA-N 2 0 200.326 1.082 20 0 BDADRP C[C@@H](C[NH3+])N[C@@H](C)c1ccc(F)cc1F ZINC000235145325 388365330 /nfs/dbraw/zinc/36/53/30/388365330.db2.gz PEUJBLOFGWPIDI-YUMQZZPRSA-N 2 0 214.259 1.963 20 0 BDADRP C[C@H](CN)[NH2+][C@@H](C)CCc1ccccc1 ZINC000235458587 388369462 /nfs/dbraw/zinc/36/94/62/388369462.db2.gz FCCJWOISZBUZSD-NWDGAFQWSA-N 2 0 206.333 1.945 20 0 BDADRP C[C@H](C[NH2+]Cc1ccn(C)c1)C[NH+](C)C ZINC000291628477 388376484 /nfs/dbraw/zinc/37/64/84/388376484.db2.gz AGKODVIXIORDQE-LLVKDONJSA-N 2 0 209.337 1.312 20 0 BDADRP CC(C)(CO)CCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000393374032 388380126 /nfs/dbraw/zinc/38/01/26/388380126.db2.gz IZVMSUUCAJLOKS-STQMWFEESA-N 2 0 242.407 1.892 20 0 BDADRP CCCC[N@H+](C)C[C@@H](C)N[C@H]1C[NH+](C)C[C@@H]1C ZINC000516605645 388386105 /nfs/dbraw/zinc/38/61/05/388386105.db2.gz OCQQGRMSXLJXLU-MJBXVCDLSA-N 2 0 241.423 1.647 20 0 BDADRP [NH3+]Cc1cccc(NC(=O)[C@H]2C[C@]23CC[NH2+]C3)c1 ZINC000646578793 388388774 /nfs/dbraw/zinc/38/87/74/388388774.db2.gz FHQQZNXKGHEHHO-OCCSQVGLSA-N 2 0 245.326 1.083 20 0 BDADRP [NH3+]Cc1cccc(NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)c1 ZINC000646578791 388389062 /nfs/dbraw/zinc/38/90/62/388389062.db2.gz FHQQZNXKGHEHHO-GXTWGEPZSA-N 2 0 245.326 1.083 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCCCO1 ZINC000300864647 388399794 /nfs/dbraw/zinc/39/97/94/388399794.db2.gz PTWFLDSUKLTPNM-NEPJUHHUSA-N 2 0 226.364 1.533 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000300864652 388399819 /nfs/dbraw/zinc/39/98/19/388399819.db2.gz PTWFLDSUKLTPNM-RYUDHWBXSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H](O)C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000520567371 256675059 /nfs/dbraw/zinc/67/50/59/256675059.db2.gz BUYCKKKPDJPFGO-ZDUSSCGKSA-N 2 0 248.370 1.753 20 0 BDADRP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCC1 ZINC000315825889 388403026 /nfs/dbraw/zinc/40/30/26/388403026.db2.gz ZKZYZLBHTXXBIZ-MELADBBJSA-N 2 0 238.375 1.364 20 0 BDADRP C[C@H](CCc1ccco1)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000572990520 388403700 /nfs/dbraw/zinc/40/37/00/388403700.db2.gz FATKLNKDXOLVTJ-XEZLXBQYSA-N 2 0 220.316 1.408 20 0 BDADRP Cc1ccc(NC(=O)/C=C\C[NH+](C)C)c(C)n1 ZINC000492160400 388336880 /nfs/dbraw/zinc/33/68/80/388336880.db2.gz FRPFCJFPSQODIY-WAYWQWQTSA-N 2 0 233.315 1.755 20 0 BDADRP Cc1cccnc1CC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000404876743 388439893 /nfs/dbraw/zinc/43/98/93/388439893.db2.gz PGMNULPFWGXHTK-JSGCOSHPSA-N 2 0 233.359 1.650 20 0 BDADRP CC[C@](C)(C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)OC ZINC000322653578 388443280 /nfs/dbraw/zinc/44/32/80/388443280.db2.gz YGNCBULPZXMSTR-JHJVBQTASA-N 2 0 228.380 1.731 20 0 BDADRP C[C@H]1CSC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322705333 388443821 /nfs/dbraw/zinc/44/38/21/388443821.db2.gz MUMGSSRYJHPZGV-ZZIFITQXSA-N 2 0 240.416 1.953 20 0 BDADRP C([NH2+][C@@H]1CC[NH2+]C1)[C@@H]1CC2CCC1CC2 ZINC000335074135 388448627 /nfs/dbraw/zinc/44/86/27/388448627.db2.gz BOAYVGMIQAGAAB-IFWUJCSASA-N 2 0 208.349 1.764 20 0 BDADRP CC[C@H]([NH2+]CCOCC[NH+](C)C)C1CCC1 ZINC000322862471 388449445 /nfs/dbraw/zinc/44/94/45/388449445.db2.gz UMCSJJYGOIDFQE-ZDUSSCGKSA-N 2 0 228.380 1.733 20 0 BDADRP C[C@@H](C[NH2+][C@@H](C)CCCC[NH3+])C[NH+]1CCCC1 ZINC000336712614 388466172 /nfs/dbraw/zinc/46/61/72/388466172.db2.gz OBWBZMLBWMSODG-KBPBESRZSA-N 3 0 241.423 1.825 20 0 BDADRP CN(C[C@@H](O)C[N@H+](C)C1CCCCC1)C1CC1 ZINC000336713243 388466292 /nfs/dbraw/zinc/46/62/92/388466292.db2.gz OJJRJQAVIJKLJA-AWEZNQCLSA-N 2 0 240.391 1.706 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CCN1CCCCCC1 ZINC000336713252 388466758 /nfs/dbraw/zinc/46/67/58/388466758.db2.gz OKAWOQWTMNOTRF-AWEZNQCLSA-N 2 0 241.423 1.970 20 0 BDADRP CC(C)[C@@H]([NH3+])C(=O)Nc1ccc(C[NH3+])cc1 ZINC000169813690 388467041 /nfs/dbraw/zinc/46/70/41/388467041.db2.gz TYPBDHOHHKHFLP-LLVKDONJSA-N 2 0 221.304 1.067 20 0 BDADRP C[C@H]([NH3+])CN(C)CC[C@H]1CCCC[N@@H+]1C ZINC000261538213 135175426 /nfs/dbraw/zinc/17/54/26/135175426.db2.gz XMJICVSSEPZGPS-NWDGAFQWSA-N 2 0 213.369 1.140 20 0 BDADRP C[C@H](CC[NH2+][C@H](C)[C@H](C)O)[NH+]1CCCCC1 ZINC000516564375 388478409 /nfs/dbraw/zinc/47/84/09/388478409.db2.gz BVNZABOQVPBDRG-UPJWGTAASA-N 2 0 228.380 1.610 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000573058836 388414683 /nfs/dbraw/zinc/41/46/83/388414683.db2.gz FIERLNXUEIDLDO-RQJABVFESA-N 2 0 240.391 1.874 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](O)C1CCC1 ZINC000316806822 388421400 /nfs/dbraw/zinc/42/14/00/388421400.db2.gz SQHCWBCXNUQSCH-PWSUYJOCSA-N 2 0 214.353 1.255 20 0 BDADRP CCO[C@@H]1C[C@@H]1[NH2+][C@@H](C)CCCC[NH3+] ZINC000514825144 256720143 /nfs/dbraw/zinc/72/01/43/256720143.db2.gz WFQMJZWUHSGUIT-GARJFASQSA-N 2 0 200.326 1.271 20 0 BDADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@@H](CC(C)C)C1 ZINC000573213038 388432789 /nfs/dbraw/zinc/43/27/89/388432789.db2.gz TVNYUCQZQVWYAC-KBPBESRZSA-N 2 0 242.407 1.715 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H](CO)CC(C)(C)C ZINC000393536355 388433118 /nfs/dbraw/zinc/43/31/18/388433118.db2.gz ZSAAGCUPBNSOEY-NEPJUHHUSA-N 2 0 230.396 1.891 20 0 BDADRP COCC1(CC[NH2+][C@@H](C)CCCC[NH3+])CC1 ZINC000517146593 388539351 /nfs/dbraw/zinc/53/93/51/388539351.db2.gz CQVYYFFPDPJDKF-LBPRGKRZSA-N 2 0 228.380 1.910 20 0 BDADRP C[C@H](O)CCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352921680 388541437 /nfs/dbraw/zinc/54/14/37/388541437.db2.gz KCPMUAHSLYFXKH-ICIURTGMSA-N 2 0 240.391 1.704 20 0 BDADRP c1n[nH]cc1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000353625288 388542437 /nfs/dbraw/zinc/54/24/37/388542437.db2.gz FXUDARNSPPVKCO-CHWSQXEVSA-N 2 0 234.347 1.169 20 0 BDADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC[C@@H]1CCOC1 ZINC000339409392 388482719 /nfs/dbraw/zinc/48/27/19/388482719.db2.gz LZIWAJMCJBPEEM-OLZOCXBDSA-N 2 0 228.380 1.718 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@H]2CC[NH2+][C@H]2C)cc1 ZINC000516634155 388484711 /nfs/dbraw/zinc/48/47/11/388484711.db2.gz AFMQNFCVTGOVPP-KWBADKCTSA-N 2 0 247.342 1.643 20 0 BDADRP C[C@@H]([NH2+]CCC[NH+](C)C)[C@]1(C)CCCO1 ZINC000340168203 388487788 /nfs/dbraw/zinc/48/77/88/388487788.db2.gz RGZONGXIKNPRBL-NEPJUHHUSA-N 2 0 214.353 1.485 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)C1CC1 ZINC000340489108 388490604 /nfs/dbraw/zinc/49/06/04/388490604.db2.gz QSWZKFMVCFSLNF-OIMNJJJWSA-N 2 0 240.391 1.730 20 0 BDADRP CCC[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])OC ZINC000356335494 388548887 /nfs/dbraw/zinc/54/88/87/388548887.db2.gz NGVXLPHPZQUMFS-UTUOFQBUSA-N 2 0 214.353 1.519 20 0 BDADRP CCSCCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400666596 256795475 /nfs/dbraw/zinc/79/54/75/256795475.db2.gz SVYQWKSQOIVONK-QWRGUYRKSA-N 2 0 216.394 1.860 20 0 BDADRP CCC1(C[NH2+]C2CC[NH+](C(C)C)CC2)COC1 ZINC000343069085 388498850 /nfs/dbraw/zinc/49/88/50/388498850.db2.gz BGNHIWCMFDCXHJ-UHFFFAOYSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)[C@H]1CC1(C)C ZINC000397817756 388501786 /nfs/dbraw/zinc/50/17/86/388501786.db2.gz JYDHLGKGDQXFKN-YNEHKIRRSA-N 2 0 240.391 1.467 20 0 BDADRP CCC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)COC1 ZINC000343634798 388502016 /nfs/dbraw/zinc/50/20/16/388502016.db2.gz VEGNQODASSVAHV-OLZOCXBDSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+]C[C@H]2CCC[NH2+]C2)O1 ZINC000398025383 388514934 /nfs/dbraw/zinc/51/49/34/388514934.db2.gz AEOOEKWGGWYMHC-GRYCIOLGSA-N 2 0 212.337 1.143 20 0 BDADRP CSC[C@@H](O)C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000516921786 388525063 /nfs/dbraw/zinc/52/50/63/388525063.db2.gz MMERRXQJUOJTIP-NEPJUHHUSA-N 2 0 246.420 1.032 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000348273917 388527694 /nfs/dbraw/zinc/52/76/94/388527694.db2.gz AJZCVAOQTRHAQC-RWMBFGLXSA-N 2 0 240.391 1.466 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]C1CCSCC1 ZINC000220681986 388605622 /nfs/dbraw/zinc/60/56/22/388605622.db2.gz LKFFZVZPRBUNGK-ZYHUDNBSSA-N 2 0 228.405 1.989 20 0 BDADRP CC[C@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)CCS1 ZINC000222155005 388613859 /nfs/dbraw/zinc/61/38/59/388613859.db2.gz MEDJTOAWBDPJKE-RYUDHWBXSA-N 2 0 228.405 1.813 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000252712597 388574786 /nfs/dbraw/zinc/57/47/86/388574786.db2.gz MUYLLRQJQFBHQE-GXTWGEPZSA-N 3 0 239.407 1.258 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000191823438 388670083 /nfs/dbraw/zinc/67/00/83/388670083.db2.gz FWENTQYXOJLASG-OLZOCXBDSA-N 2 0 228.380 1.421 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)[C@H]1CCOC1 ZINC000248170974 388674476 /nfs/dbraw/zinc/67/44/76/388674476.db2.gz USUKVTKOCDWPBC-XQQFMLRXSA-N 2 0 226.364 1.343 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CCCOC1 ZINC000530209518 388627682 /nfs/dbraw/zinc/62/76/82/388627682.db2.gz IKLMGCJMQRDXLA-FRRDWIJNSA-N 2 0 226.364 1.520 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC1CC=CC1 ZINC000530214165 388629292 /nfs/dbraw/zinc/62/92/92/388629292.db2.gz BRFLHMQVDRHVAF-DGCLKSJQSA-N 2 0 208.349 1.930 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000530217643 388629899 /nfs/dbraw/zinc/62/98/99/388629899.db2.gz URWNAXHJPDWMLU-WXRRBKDZSA-N 3 0 237.391 1.378 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc2cn(C)nc2c1 ZINC000530219014 388631377 /nfs/dbraw/zinc/63/13/77/388631377.db2.gz OOKKEVLGDAJSLE-QWRGUYRKSA-N 2 0 246.358 1.789 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@H]1CCOC1 ZINC000530223522 388633760 /nfs/dbraw/zinc/63/37/60/388633760.db2.gz SQUOGZFMKWBKKA-SDDRHHMPSA-N 2 0 224.348 1.286 20 0 BDADRP CC(C)[C@H]1CNCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000530229338 388637079 /nfs/dbraw/zinc/63/70/79/388637079.db2.gz NIYGSRWBCLUWIO-UONOGXRCSA-N 2 0 239.407 1.306 20 0 BDADRP CC(C)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530238166 388637780 /nfs/dbraw/zinc/63/77/80/388637780.db2.gz KGXBIDHOHVPFBO-AWEZNQCLSA-N 2 0 240.391 1.733 20 0 BDADRP COc1ccc(CC[NH2+]C[C@@]2(C)CC[NH2+]C2)cn1 ZINC000530243309 388637937 /nfs/dbraw/zinc/63/79/37/388637937.db2.gz HGSXYOYPLAZNTK-CQSZACIVSA-N 2 0 249.358 1.222 20 0 BDADRP CCC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530238872 388638304 /nfs/dbraw/zinc/63/83/04/388638304.db2.gz OXWSHEPMXGRXPT-CYBMUJFWSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@H](C[NH2+]C[C@@]1(C)CC[NH2+]C1)c1ccncc1 ZINC000530244954 388638740 /nfs/dbraw/zinc/63/87/40/388638740.db2.gz RIBCLUOAOBDKBV-OCCSQVGLSA-N 2 0 233.359 1.774 20 0 BDADRP COC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)C(C)C ZINC000083397617 388638990 /nfs/dbraw/zinc/63/89/90/388638990.db2.gz NLQZLEHFWRJCRE-CHWSQXEVSA-N 2 0 228.380 1.589 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)CCCO)[C@@H](C)C1 ZINC000246944910 388654698 /nfs/dbraw/zinc/65/46/98/388654698.db2.gz HCNHUGKKHGTDTL-XQQFMLRXSA-N 2 0 228.380 1.467 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@H](C)COC)C1 ZINC000248587530 388685628 /nfs/dbraw/zinc/68/56/28/388685628.db2.gz WYHFLRGKIWMARJ-NWDGAFQWSA-N 2 0 214.353 1.200 20 0 BDADRP COC[C@@H](C)[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000247084270 388658604 /nfs/dbraw/zinc/65/86/04/388658604.db2.gz PBUDYIKSXBVXIW-HZSPNIEDSA-N 2 0 242.407 1.979 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)COC)[C@@H](C)C1 ZINC000247161022 388660026 /nfs/dbraw/zinc/66/00/26/388660026.db2.gz UEJRSMKBGCPYOA-AGIUHOORSA-N 2 0 228.380 1.589 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)O)[C@@H](C)C1 ZINC000247259924 388660822 /nfs/dbraw/zinc/66/08/22/388660822.db2.gz ZTPMKOLFQFEDGW-WDEREUQCSA-N 2 0 214.353 1.077 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000247213720 388661008 /nfs/dbraw/zinc/66/10/08/388661008.db2.gz MAVGQAZEPRSWMW-QWHCGFSZSA-N 2 0 208.349 1.979 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCc2cccnc2)C1 ZINC000086403250 388687245 /nfs/dbraw/zinc/68/72/45/388687245.db2.gz JUEFAQSFQTXMDC-QWHCGFSZSA-N 2 0 219.332 1.484 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCCOCC2)CC1 ZINC000086874277 388691873 /nfs/dbraw/zinc/69/18/73/388691873.db2.gz VTORQAKAZWVINO-CQSZACIVSA-N 2 0 240.391 1.877 20 0 BDADRP COC[C@@H](C)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000552357681 388696820 /nfs/dbraw/zinc/69/68/20/388696820.db2.gz MKVLRXMCBJDUAE-UONOGXRCSA-N 2 0 240.391 1.687 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000249160972 388711948 /nfs/dbraw/zinc/71/19/48/388711948.db2.gz YWMZWJDEXLUWDA-BZPMIXESSA-N 2 0 238.375 1.485 20 0 BDADRP CC[C@@H](CO)[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000249188098 388711976 /nfs/dbraw/zinc/71/19/76/388711976.db2.gz MAFHMEBIIJDDJF-GRYCIOLGSA-N 2 0 214.353 1.077 20 0 BDADRP COC[C@H](C)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226326934 388716311 /nfs/dbraw/zinc/71/63/11/388716311.db2.gz NTCGGVFHTUSYOR-QWRGUYRKSA-N 2 0 200.326 1.082 20 0 BDADRP C[C@H](C[NH3+])CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000646872304 388719824 /nfs/dbraw/zinc/71/98/24/388719824.db2.gz OZYXLQUTSUYNRF-LLVKDONJSA-N 2 0 249.358 1.073 20 0 BDADRP COC[C@@H](C)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000249769180 388733085 /nfs/dbraw/zinc/73/30/85/388733085.db2.gz JFGGHWWMLBSGSR-RYUDHWBXSA-N 2 0 214.353 1.152 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCc2cnn(C)c2)CN1C1CC1 ZINC000127916031 388733746 /nfs/dbraw/zinc/73/37/46/388733746.db2.gz HJMUGFMABSOXCZ-WCQYABFASA-N 2 0 248.374 1.177 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@H]2O)CC[N@@H+]1C ZINC000252153054 388761995 /nfs/dbraw/zinc/76/19/95/388761995.db2.gz OUXZEPNDYLYBML-YVECIDJPSA-N 2 0 226.364 1.220 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCn1ccnc1 ZINC000252715760 388774677 /nfs/dbraw/zinc/77/46/77/388774677.db2.gz WPYFGEUTBKWEAK-QWHCGFSZSA-N 3 0 236.363 1.203 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCn1ccnc1 ZINC000252715759 388775151 /nfs/dbraw/zinc/77/51/51/388775151.db2.gz WPYFGEUTBKWEAK-CHWSQXEVSA-N 3 0 236.363 1.203 20 0 BDADRP C[C@H]([NH2+]CCC[NH+]1CCCCC1)[C@@H]1CCOC1 ZINC000128622289 388778007 /nfs/dbraw/zinc/77/80/07/388778007.db2.gz LLSUORNOGPLLJF-UONOGXRCSA-N 2 0 240.391 1.877 20 0 BDADRP CC(C)C[NH+]1CCC(N[C@H]2CC[N@H+](C)C2)CC1 ZINC000228757929 388823047 /nfs/dbraw/zinc/82/30/47/388823047.db2.gz WQUJYQLDJUORIL-AWEZNQCLSA-N 2 0 239.407 1.401 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H](NCC[NH+]2CCCCCC2)C1 ZINC000093215395 388829754 /nfs/dbraw/zinc/82/97/54/388829754.db2.gz XDJQVXFXPYHIKP-ZIAGYGMSSA-N 3 0 239.407 1.722 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2CCOCC2)CC[N@@H+]1C ZINC000094722725 388867752 /nfs/dbraw/zinc/86/77/52/388867752.db2.gz VCZOAAWYHUSMKC-YPMHNXCESA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H]1C[C@H](NCCC[NH+]2CCCC2)CC[N@@H+]1C ZINC000129810500 388871798 /nfs/dbraw/zinc/87/17/98/388871798.db2.gz JJAIQDMKPHJXOE-UONOGXRCSA-N 2 0 239.407 1.545 20 0 BDADRP Cc1nnc([C@@H](C)[NH2+]CCc2ccncc2C)o1 ZINC000564911435 388898464 /nfs/dbraw/zinc/89/84/64/388898464.db2.gz HZUUPJHDQPRRDQ-SNVBAGLBSA-N 2 0 246.314 1.975 20 0 BDADRP C[NH+](C)Cc1cccc(C[NH2+]CC2(O)CCC2)c1 ZINC000564565311 388879089 /nfs/dbraw/zinc/87/90/89/388879089.db2.gz VRXBVLMBJVBNMM-UHFFFAOYSA-N 2 0 248.370 1.753 20 0 BDADRP CCN(C)C[C@H](O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000565159561 388918276 /nfs/dbraw/zinc/91/82/76/388918276.db2.gz ZYDBEDKIRSORIH-TUAOUCFPSA-N 2 0 214.353 1.172 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]C[C@@H]2CCC[NH2+]C2)C1 ZINC000564971283 388904406 /nfs/dbraw/zinc/90/44/06/388904406.db2.gz UMWGVPBIDYGDCH-JHJVBQTASA-N 3 0 225.380 1.093 20 0 BDADRP CC[NH+](CC)CCCN1CCC[C@H](C[NH3+])C1 ZINC000564988196 388905304 /nfs/dbraw/zinc/90/53/04/388905304.db2.gz ZQFMIYYRXGPBJO-CYBMUJFWSA-N 3 0 227.396 1.389 20 0 BDADRP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)CC)C(C)(C)C ZINC000565784151 388970494 /nfs/dbraw/zinc/97/04/94/388970494.db2.gz UXTXVZFZIIUEBM-NEPJUHHUSA-N 2 0 230.396 1.713 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]Cc1cnc(C2CC2)s1 ZINC000565409462 388942192 /nfs/dbraw/zinc/94/21/92/388942192.db2.gz XFYKVRZAWFEJCX-MRVPVSSYSA-N 2 0 225.361 1.705 20 0 BDADRP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)CC)C(C)(C)C ZINC000565784159 388969644 /nfs/dbraw/zinc/96/96/44/388969644.db2.gz UXTXVZFZIIUEBM-VXGBXAGGSA-N 2 0 230.396 1.713 20 0 BDADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]CC2(O)CCC2)C1 ZINC000566112325 388987886 /nfs/dbraw/zinc/98/78/86/388987886.db2.gz MTZLWPDQXVOVFK-CYBMUJFWSA-N 2 0 240.391 1.469 20 0 BDADRP C[N@H+]1CC=C(C[NH2+]Cc2cccc(O)c2)CC1 ZINC000271801563 389025014 /nfs/dbraw/zinc/02/50/14/389025014.db2.gz IXMOFGHMTYFMQU-UHFFFAOYSA-N 2 0 232.327 1.744 20 0 BDADRP COCCCCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400518711 533233130 /nfs/dbraw/zinc/23/31/30/533233130.db2.gz NTQMRQVHLKHITI-NWDGAFQWSA-N 2 0 214.353 1.533 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCC[C@H]2CCOC2)CC[N@@H+]1C ZINC000400587366 533647567 /nfs/dbraw/zinc/64/75/67/533647567.db2.gz NWUJHAHOJSJWDS-RDBSUJKOSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1c[nH+]ccc1N1CCC([C@H](C)[NH3+])CC1 ZINC000070045238 132230039 /nfs/dbraw/zinc/23/00/39/132230039.db2.gz NAEKSPXSKBCLOV-NSHDSACASA-N 2 0 219.332 1.954 20 0 BDADRP Cc1c[nH+]ccc1N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000227076256 132440436 /nfs/dbraw/zinc/44/04/36/132440436.db2.gz SCHDLDGDOFEOFN-QWRGUYRKSA-N 2 0 205.305 1.564 20 0 BDADRP CC(C)[NH+]1CCC(N[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000335951366 134021811 /nfs/dbraw/zinc/02/18/11/134021811.db2.gz SFBMIWNZMOVQEQ-OCCSQVGLSA-N 2 0 239.407 1.399 20 0 BDADRP Cc1n[nH]c(C)c1CN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000336022433 134055804 /nfs/dbraw/zinc/05/58/04/134055804.db2.gz ULTLBGJDGDDVJJ-RYUDHWBXSA-N 2 0 234.347 1.068 20 0 BDADRP OC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC[NH2+]CC1 ZINC000336080588 134075281 /nfs/dbraw/zinc/07/52/81/134075281.db2.gz BCDAHUUMDYQZRG-PBWFPOADSA-N 2 0 238.375 1.364 20 0 BDADRP C(C1CC[NH+]([C@@H]2CCOC2)CC1)[NH+]1CCCC1 ZINC000336180257 134119392 /nfs/dbraw/zinc/11/93/92/134119392.db2.gz YZUMCBFXIFMAOI-CQSZACIVSA-N 2 0 238.375 1.583 20 0 BDADRP COC[C@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000173533854 134275295 /nfs/dbraw/zinc/27/52/95/134275295.db2.gz XRVDOGSUVZEDAT-ZDUSSCGKSA-N 2 0 240.391 1.829 20 0 BDADRP COCCOCC[N@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000175716392 134286816 /nfs/dbraw/zinc/28/68/16/134286816.db2.gz SPLNXKPOOZKIJG-OLZOCXBDSA-N 2 0 244.379 1.064 20 0 BDADRP CS[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000222353060 134330269 /nfs/dbraw/zinc/33/02/69/134330269.db2.gz QIACHTAZQDGYER-HBNTYKKESA-N 2 0 216.394 1.668 20 0 BDADRP Cc1nc(CC[NH2+]C[C@H]([NH3+])CC(C)C)cs1 ZINC000226468205 134363436 /nfs/dbraw/zinc/36/34/36/134363436.db2.gz SNDNHZAVPJCWCP-LLVKDONJSA-N 2 0 241.404 1.957 20 0 BDADRP CC(C)(CCCO)C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000227921480 134399295 /nfs/dbraw/zinc/39/92/95/134399295.db2.gz PCRZBOLIOBUEMB-NWDGAFQWSA-N 2 0 228.380 1.502 20 0 BDADRP CCCCOCCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000229341075 135011476 /nfs/dbraw/zinc/01/14/76/135011476.db2.gz JUDBVFMRIZMLKY-OLZOCXBDSA-N 2 0 228.380 1.910 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)[C@H]1CO ZINC000248917547 135025963 /nfs/dbraw/zinc/02/59/63/135025963.db2.gz KCNOYJUZTFCMEO-AGIUHOORSA-N 2 0 226.364 1.173 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH+]2C)CC[C@H]1O ZINC000249131793 135035210 /nfs/dbraw/zinc/03/52/10/135035210.db2.gz LVWXDBGESYONLL-JHJVBQTASA-N 2 0 226.364 1.173 20 0 BDADRP CCOCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250420059 135055118 /nfs/dbraw/zinc/05/51/18/135055118.db2.gz ZWYLMAQYPNRQTA-NEPJUHHUSA-N 2 0 212.337 1.239 20 0 BDADRP COC[C@H](C)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251127697 135064322 /nfs/dbraw/zinc/06/43/22/135064322.db2.gz SROXFHWZBBOLIB-UPJWGTAASA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251494966 135069996 /nfs/dbraw/zinc/06/99/96/135069996.db2.gz JRWQOLWWUOKJTH-MCIONIFRSA-N 2 0 248.374 1.488 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC[C@H]1CCCO1 ZINC000251718735 135075561 /nfs/dbraw/zinc/07/55/61/135075561.db2.gz BXRHWIHVIRVCFW-GRYCIOLGSA-N 2 0 212.337 1.225 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cccnc2)C1 ZINC000086402374 135083059 /nfs/dbraw/zinc/08/30/59/135083059.db2.gz PXXHYJARKNJULX-VXGBXAGGSA-N 2 0 205.305 1.441 20 0 BDADRP [NH3+]CCOCC[NH+](CC1CC1)CC1CC1 ZINC000086435828 135084022 /nfs/dbraw/zinc/08/40/22/135084022.db2.gz PESFKGJOWPATGV-UHFFFAOYSA-N 2 0 212.337 1.084 20 0 BDADRP CC(C)[C@@H]1CCC[N@H+](CCOCC[NH3+])CC1 ZINC000086435844 135084320 /nfs/dbraw/zinc/08/43/20/135084320.db2.gz UUDMCUOXMUCBKN-CYBMUJFWSA-N 2 0 228.380 1.720 20 0 BDADRP CC1(C)CC[NH+](CCOCC[NH3+])CC1 ZINC000086435704 135084411 /nfs/dbraw/zinc/08/44/11/135084411.db2.gz QFUGHDMAEFRNEW-UHFFFAOYSA-N 2 0 200.326 1.084 20 0 BDADRP C[N@H+](CCOCC[NH3+])C1CCCCCC1 ZINC000086435419 135084727 /nfs/dbraw/zinc/08/47/27/135084727.db2.gz AAUBSLNKTIFXAH-UHFFFAOYSA-N 2 0 214.353 1.616 20 0 BDADRP C[C@@H](CN[C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)[NH+](C)C ZINC000252458296 135090009 /nfs/dbraw/zinc/09/00/09/135090009.db2.gz XMVYJXFRDBCHPA-NDBYEHHHSA-N 2 0 227.396 1.255 20 0 BDADRP [NH3+]C1CCC([NH2+]CCN2CCCCC2)CC1 ZINC000086729412 135094854 /nfs/dbraw/zinc/09/48/54/135094854.db2.gz RUAXTSIOCYSBHC-UHFFFAOYSA-N 2 0 225.380 1.332 20 0 BDADRP Cc1cccnc1C[NH2+]C1CCC([NH3+])CC1 ZINC000086730076 135094885 /nfs/dbraw/zinc/09/48/85/135094885.db2.gz FDDQOJIREOVHHP-UHFFFAOYSA-N 2 0 219.332 1.750 20 0 BDADRP C[C@@H]1SCC[N@H+](C[C@H]2CCC[NH2+]C2)[C@H]1C ZINC000252690017 135096595 /nfs/dbraw/zinc/09/65/95/135096595.db2.gz SXSJKYREIGUMPP-SRVKXCTJSA-N 2 0 228.405 1.812 20 0 BDADRP C(C[NH+]1C[C@H]2CCC[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000252705254 135097934 /nfs/dbraw/zinc/09/79/34/135097934.db2.gz PRCJHYAIXOXQMB-JHJVBQTASA-N 2 0 208.349 1.718 20 0 BDADRP CCOCCC[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252698144 135098003 /nfs/dbraw/zinc/09/80/03/135098003.db2.gz LHTWJDQJAFYMFG-GHMZBOCLSA-N 2 0 200.326 1.082 20 0 BDADRP CCC(CC)(CO)C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000252730604 135103771 /nfs/dbraw/zinc/10/37/71/135103771.db2.gz MCIKLZZUXMBKOU-OLZOCXBDSA-N 2 0 242.407 1.715 20 0 BDADRP COCC[C@H](C)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252770884 135108462 /nfs/dbraw/zinc/10/84/62/135108462.db2.gz LGRBKLUTXMBCKX-GARJFASQSA-N 2 0 200.326 1.081 20 0 BDADRP CC(C)CCOCC[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252769802 135108949 /nfs/dbraw/zinc/10/89/49/135108949.db2.gz KRSCNJXARALWMJ-QWHCGFSZSA-N 2 0 228.380 1.718 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)[C@H]1CCCCO1 ZINC000261963590 135113522 /nfs/dbraw/zinc/11/35/22/135113522.db2.gz ADYFISGTHTZKST-YNEHKIRRSA-N 2 0 226.364 1.676 20 0 BDADRP C[C@@H]1C[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000252959046 135117450 /nfs/dbraw/zinc/11/74/50/135117450.db2.gz LRUYEFBXEIFNMJ-KTCIRNNBSA-N 2 0 208.349 1.857 20 0 BDADRP CC(C)C[C@H](C[NH3+])NC(=O)CCCCCC[NH3+] ZINC000262597583 135119537 /nfs/dbraw/zinc/11/95/37/135119537.db2.gz LNIUVGPYQSNLPD-GFCCVEGCSA-N 2 0 243.395 1.385 20 0 BDADRP CC(C)CCOCC[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253250406 135125608 /nfs/dbraw/zinc/12/56/08/135125608.db2.gz VWJQNUIRWKETFM-ZIAGYGMSSA-N 2 0 242.407 1.966 20 0 BDADRP c1nc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cs1 ZINC000257645143 135137509 /nfs/dbraw/zinc/13/75/09/135137509.db2.gz BWYWCEBHAIWUSE-UHFFFAOYSA-N 2 0 237.372 1.719 20 0 BDADRP Cc1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)on1 ZINC000257690721 135139179 /nfs/dbraw/zinc/13/91/79/135139179.db2.gz NMNPGKJRSZKZEI-UHFFFAOYSA-N 2 0 235.331 1.559 20 0 BDADRP C([C@H]1CCCOC1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257697560 135139848 /nfs/dbraw/zinc/13/98/48/135139848.db2.gz PFPTWUVQJGJZCR-CYBMUJFWSA-N 2 0 238.375 1.489 20 0 BDADRP C(C1CCOCC1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257707135 135140280 /nfs/dbraw/zinc/14/02/80/135140280.db2.gz RNTXQRSDGFZWQC-AWEZNQCLSA-N 2 0 238.375 1.489 20 0 BDADRP CCN1CCC([NH2+][C@@H](COC)C2CC2)CC1 ZINC000087479276 135143916 /nfs/dbraw/zinc/14/39/16/135143916.db2.gz ILUUFXLDHWWVAX-ZDUSSCGKSA-N 2 0 226.364 1.485 20 0 BDADRP COC[C@H](C)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000261545466 135148883 /nfs/dbraw/zinc/14/88/83/135148883.db2.gz KBKSTSGYUIXRSP-NWDGAFQWSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccs1 ZINC000261527835 135152535 /nfs/dbraw/zinc/15/25/35/135152535.db2.gz HRLUWJNPEXKJJB-GXSJLCMTSA-N 2 0 210.346 1.836 20 0 BDADRP CC[C@@H]1CN(CC(C)(C)[NH3+])CCCO1 ZINC000261528764 135154452 /nfs/dbraw/zinc/15/44/52/135154452.db2.gz NPJSVJWZVDWFCK-SNVBAGLBSA-N 2 0 200.326 1.225 20 0 BDADRP Cc1[nH+]ccc(N2CC[C@H]([NH3+])C2)c1Cl ZINC000261530233 135157182 /nfs/dbraw/zinc/15/71/82/135157182.db2.gz YPMIFZHJCIJXJX-QMMMGPOBSA-N 2 0 211.696 1.581 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCSC1 ZINC000261530376 135157783 /nfs/dbraw/zinc/15/77/83/135157783.db2.gz ZDILWBHXJZHVMM-GUBZILKMSA-N 2 0 200.351 1.209 20 0 BDADRP CC(C)OCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261531676 135160546 /nfs/dbraw/zinc/16/05/46/135160546.db2.gz HLQRBYTZUPEIBU-NWDGAFQWSA-N 2 0 212.337 1.095 20 0 BDADRP CC[NH+](CC)CCCNC[C@@H]1CCC[NH2+]C1 ZINC000087646030 135160634 /nfs/dbraw/zinc/16/06/34/135160634.db2.gz IPHJIXFMTJYJND-CYBMUJFWSA-N 2 0 227.396 1.308 20 0 BDADRP c1ccc(CC[NH2+]C[C@H]2CCC[NH2+]C2)nc1 ZINC000087646008 135160775 /nfs/dbraw/zinc/16/07/75/135160775.db2.gz GFQNMILFVRHMBQ-LBPRGKRZSA-N 2 0 219.332 1.213 20 0 BDADRP Cc1ccccc1C[N@@H+](C)C1CC([NH3+])C1 ZINC000087653234 135161105 /nfs/dbraw/zinc/16/11/05/135161105.db2.gz FWBLXZXURVIHDR-UHFFFAOYSA-N 2 0 204.317 1.917 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccn(C)c2)[C@@H](C)C1 ZINC000268884990 135162520 /nfs/dbraw/zinc/16/25/20/135162520.db2.gz BXEPHPINPPFYJL-GXTWGEPZSA-N 2 0 235.375 1.845 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@H]1CCC[C@H]1C[NH3+] ZINC000261532745 135163652 /nfs/dbraw/zinc/16/36/52/135163652.db2.gz DRIPTIKHSQPKGF-AVGNSLFASA-N 2 0 227.396 1.434 20 0 BDADRP CC[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCCO1 ZINC000261533058 135164058 /nfs/dbraw/zinc/16/40/58/135164058.db2.gz GLEZBNJXBJFVSF-ZDUSSCGKSA-N 2 0 226.364 1.487 20 0 BDADRP CO[C@H]1CC[N@H+](CC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000261535410 135169620 /nfs/dbraw/zinc/16/96/20/135169620.db2.gz YJFYXVHBHSJJRY-AAEUAGOBSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@]1(C[NH2+]C2CC[NH2+]CC2)CCCS1 ZINC000087792800 135171749 /nfs/dbraw/zinc/17/17/49/135171749.db2.gz CHPGVPPCQFIZQH-LLVKDONJSA-N 2 0 214.378 1.614 20 0 BDADRP C[C@@H]1C[N@H+](CCOCC2CC2)CC[C@H]1[NH3+] ZINC000261536475 135171814 /nfs/dbraw/zinc/17/18/14/135171814.db2.gz RWINLFFEMSWNCZ-ZYHUDNBSSA-N 2 0 212.337 1.082 20 0 BDADRP COCC(C)(C)C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000261539886 135178548 /nfs/dbraw/zinc/17/85/48/135178548.db2.gz DHHZSGUYUQEVDQ-MNOVXSKESA-N 2 0 214.353 1.328 20 0 BDADRP C[C@@H]1CN(CCOc2ccc(F)cc2)C[C@H]1[NH3+] ZINC000261540601 135180109 /nfs/dbraw/zinc/18/01/09/135180109.db2.gz GMWBUKTWUJGGEN-ZWNOBZJWSA-N 2 0 238.306 1.484 20 0 BDADRP C[C@@H]1C[C@@H](C[N@H+](C)C[C@H]2CC[NH+](C)C2)CC[NH2+]1 ZINC000261541890 135182235 /nfs/dbraw/zinc/18/22/35/135182235.db2.gz MACGMSFOEGFVPY-RDBSUJKOSA-N 3 0 239.407 1.258 20 0 BDADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cccc(F)c3)C[C@H]12 ZINC000261542691 135183360 /nfs/dbraw/zinc/18/33/60/135183360.db2.gz CHQAVAFCLSQCNI-FPMFFAJLSA-N 2 0 234.318 1.995 20 0 BDADRP Cc1nc(C)c(C[NH+]2CCC(C[NH3+])CC2)s1 ZINC000084149021 135187164 /nfs/dbraw/zinc/18/71/64/135187164.db2.gz LEJRQGPONXNJCG-UHFFFAOYSA-N 2 0 239.388 1.931 20 0 BDADRP Cc1cnn(CC[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000261549021 135187193 /nfs/dbraw/zinc/18/71/93/135187193.db2.gz KDHIASSEWPTDNB-QWHCGFSZSA-N 2 0 236.363 1.251 20 0 BDADRP CC1(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)CCC1 ZINC000261549291 135188386 /nfs/dbraw/zinc/18/83/86/135188386.db2.gz KIJAOWDMEGDXSE-CYBMUJFWSA-N 2 0 237.391 1.156 20 0 BDADRP Cc1ncccc1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000261553557 135192548 /nfs/dbraw/zinc/19/25/48/135192548.db2.gz OAFSIQZTEAWWCZ-LLVKDONJSA-N 2 0 233.359 1.949 20 0 BDADRP Cn1nccc1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000084216835 135192569 /nfs/dbraw/zinc/19/25/69/135192569.db2.gz HGHOCUSWHONLER-JQWIXIFHSA-N 2 0 222.336 1.027 20 0 BDADRP C[C@](O)(C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)C1CC1 ZINC000261554408 135193491 /nfs/dbraw/zinc/19/34/91/135193491.db2.gz AXRJIFZGXVVSPN-KFWWJZLASA-N 2 0 246.354 1.882 20 0 BDADRP C[C@](O)(C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)C1CC1 ZINC000261554409 135193651 /nfs/dbraw/zinc/19/36/51/135193651.db2.gz AXRJIFZGXVVSPN-KKUMJFAQSA-N 2 0 246.354 1.882 20 0 BDADRP C[C@H]1CCSCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261557880 135198829 /nfs/dbraw/zinc/19/88/29/135198829.db2.gz XTXLFYRUZHDCGQ-RYUDHWBXSA-N 2 0 228.405 1.813 20 0 BDADRP CC(C)(C)CC[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261561070 135201950 /nfs/dbraw/zinc/20/19/50/135201950.db2.gz UZWIDYZKDSDCHU-CYBMUJFWSA-N 2 0 239.407 1.402 20 0 BDADRP Cc1nc(C)c(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])s1 ZINC000261566973 135208618 /nfs/dbraw/zinc/20/86/18/135208618.db2.gz DTETUVSVRXVWPQ-GHMZBOCLSA-N 2 0 239.388 1.977 20 0 BDADRP Cc1cc(N2CC[C@H]3C[NH2+]C[C@H]3C2)cc[nH+]1 ZINC000261567763 135209128 /nfs/dbraw/zinc/20/91/28/135209128.db2.gz FBIBDPZHDGVHNO-RYUDHWBXSA-N 2 0 217.316 1.436 20 0 BDADRP Cc1cc(N2C[C@@H](C)[NH2+]C[C@@H]2C)cc[nH+]1 ZINC000164057665 135212115 /nfs/dbraw/zinc/21/21/15/135212115.db2.gz HTZSQZYTHRCBGV-MNOVXSKESA-N 2 0 205.305 1.577 20 0 BDADRP Cc1cnn(CC[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000261578735 135219964 /nfs/dbraw/zinc/21/99/64/135219964.db2.gz PAHLNELNJYDJQR-MELADBBJSA-N 2 0 248.374 1.251 20 0 BDADRP Cc1c[nH+]ccc1N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261583583 135224515 /nfs/dbraw/zinc/22/45/15/135224515.db2.gz PEOKOIDDPAPPLZ-SRVKXCTJSA-N 2 0 217.316 1.564 20 0 BDADRP Cc1ncc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)s1 ZINC000261585500 135227153 /nfs/dbraw/zinc/22/71/53/135227153.db2.gz QMOCIELQQQDHRM-DLOVCJGASA-N 2 0 237.372 1.621 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CCC2(C1)CCCCC2 ZINC000261589352 135230026 /nfs/dbraw/zinc/23/00/26/135230026.db2.gz TVTOXOIRDCFRML-UHFFFAOYSA-N 2 0 226.364 1.618 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](CO)C1 ZINC000261592387 135232779 /nfs/dbraw/zinc/23/27/79/135232779.db2.gz VUEVQLUBOVSQCW-XQHKEYJVSA-N 2 0 226.364 1.255 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccncc3)C[C@@H]12 ZINC000261594308 135234131 /nfs/dbraw/zinc/23/41/31/135234131.db2.gz XLXOFCCMXQRUHU-JHJVBQTASA-N 2 0 217.316 1.251 20 0 BDADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCOCC1CC1 ZINC000261595423 135234879 /nfs/dbraw/zinc/23/48/79/135234879.db2.gz YCIYMDXTJMQHDA-CMPLNLGQSA-N 2 0 212.337 1.082 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000261596818 135235592 /nfs/dbraw/zinc/23/55/92/135235592.db2.gz YXXWHIGHEYKVOE-CYDGBPFRSA-N 2 0 226.364 1.255 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](CC[C@H]2CCOC2)C1 ZINC000261595781 135236077 /nfs/dbraw/zinc/23/60/77/135236077.db2.gz YLVXPRZFJUJMTH-RYUDHWBXSA-N 2 0 212.337 1.084 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC[C@@H]1CCOC1 ZINC000261598024 135237231 /nfs/dbraw/zinc/23/72/31/135237231.db2.gz ZIQAQOVCWOCWCQ-UTUOFQBUSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cccc(N)c2)C1 ZINC000261710728 135247577 /nfs/dbraw/zinc/24/75/77/135247577.db2.gz PMMUIMISVRYBDY-WCQYABFASA-N 2 0 233.359 1.828 20 0 BDADRP C[NH+](C)[C@@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000084419877 135248427 /nfs/dbraw/zinc/24/84/27/135248427.db2.gz IFETWKKVSHLNPB-CHWSQXEVSA-N 2 0 225.380 1.012 20 0 BDADRP CN(C[C@@H]1CCC[N@H+](C)C1)C[C@]1(C)CC[NH2+]C1 ZINC000261751325 135249965 /nfs/dbraw/zinc/24/99/65/135249965.db2.gz JWAALBZVBRQNBA-ZIAGYGMSSA-N 3 0 239.407 1.260 20 0 BDADRP CC(C)CO[C@@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261930150 135263214 /nfs/dbraw/zinc/26/32/14/135263214.db2.gz CRLZKNNIDQRWKA-KGLIPLIRSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C[C@H]1CCC[NH2+]C1 ZINC000261928567 135263342 /nfs/dbraw/zinc/26/33/42/135263342.db2.gz LGZTUIATVLDGDA-UPJWGTAASA-N 2 0 225.380 1.010 20 0 BDADRP C([C@H]1CCC[NH2+]C1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261949829 135264870 /nfs/dbraw/zinc/26/48/70/135264870.db2.gz FTPKLTYZUIRXFX-ZDUSSCGKSA-N 3 0 237.391 1.062 20 0 BDADRP C[C@@H]1C[C@H](N(C)C[C@]2(C)CC[NH2+]C2)CC[N@@H+]1C ZINC000261947289 135265214 /nfs/dbraw/zinc/26/52/14/135265214.db2.gz FMQXIYLBHSKBJD-MGPQQGTHSA-N 2 0 239.407 1.401 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@@H]21 ZINC000261963902 135267163 /nfs/dbraw/zinc/26/71/63/135267163.db2.gz POUUNOZTGIHLSF-YIYPIFLZSA-N 2 0 238.375 1.472 20 0 BDADRP C[N@H+](CC[C@H]1CCOC1)[C@@H]1CCC[NH2+]CC1 ZINC000261970201 135268109 /nfs/dbraw/zinc/26/81/09/135268109.db2.gz QGHKHBFPSHSYNK-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@]1(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)CC[NH2+]C1 ZINC000261980307 135269014 /nfs/dbraw/zinc/26/90/14/135269014.db2.gz JBTRYWJJUORIDV-CYBMUJFWSA-N 3 0 237.391 1.062 20 0 BDADRP CCCN(CC(=O)OCC)C[C@@]1(C)CC[NH2+]C1 ZINC000262029469 135273575 /nfs/dbraw/zinc/27/35/75/135273575.db2.gz NYGYOAHMEHJQKK-ZDUSSCGKSA-N 2 0 242.363 1.261 20 0 BDADRP CC[N@@H+]1CC[C@H](N(C)CC(C)(C)[NH3+])C[C@H]1C ZINC000262041767 135274685 /nfs/dbraw/zinc/27/46/85/135274685.db2.gz YJEXNTXNNPFRGM-NEPJUHHUSA-N 2 0 227.396 1.528 20 0 BDADRP C[N@H+](C[C@@H]1CCC[C@H]1O)C[C@@]1(C)CC[NH2+]C1 ZINC000262061768 135276895 /nfs/dbraw/zinc/27/68/95/135276895.db2.gz RFBOFONWQBVPSK-XQQFMLRXSA-N 2 0 226.364 1.079 20 0 BDADRP c1c[nH]c([C@@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000262119734 135279743 /nfs/dbraw/zinc/27/97/43/135279743.db2.gz BXWPBOKGWHNUIR-CYBMUJFWSA-N 2 0 248.374 1.589 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCOCC(F)F)C[C@@H]21 ZINC000262116244 135279804 /nfs/dbraw/zinc/27/98/04/135279804.db2.gz LHPZRZHIOOWVGK-GARJFASQSA-N 2 0 248.317 1.327 20 0 BDADRP C[C@]1(CN2CC[NH+](C3CCC3)CC2)CC[NH2+]C1 ZINC000262245581 135287010 /nfs/dbraw/zinc/28/70/10/135287010.db2.gz POYYEEIWLTTZME-AWEZNQCLSA-N 2 0 237.391 1.156 20 0 BDADRP CC[C@H](C(=O)NCC1([NH3+])CCC1)[NH+](CC)CC ZINC000342584577 135292594 /nfs/dbraw/zinc/29/25/94/135292594.db2.gz JOWIFLYZGOVSEE-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP CC(C)[C@@](C)(C[NH3+])NC(=O)c1ccc(C[NH3+])cc1 ZINC000262434158 135297130 /nfs/dbraw/zinc/29/71/30/135297130.db2.gz KSFIAOGHLFNWLF-CQSZACIVSA-N 2 0 249.358 1.249 20 0 BDADRP C[C@H](CCC(C)(C)C)[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000342598969 135300828 /nfs/dbraw/zinc/30/08/28/135300828.db2.gz QRLYMCPNOPCIDD-OCCSQVGLSA-N 2 0 242.407 1.857 20 0 BDADRP CC1(C)CC[C@H]1[NH2+]CC1CC[NH+](CCO)CC1 ZINC000342691826 135305286 /nfs/dbraw/zinc/30/52/86/135305286.db2.gz WIPOXZYVBVECSG-CYBMUJFWSA-N 2 0 240.391 1.469 20 0 BDADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000262617725 135308680 /nfs/dbraw/zinc/30/86/80/135308680.db2.gz ZMMVEMSHDVWMIW-SDDRHHMPSA-N 2 0 243.395 1.192 20 0 BDADRP CCC[C@@H](C)C[N@H+](C)C1CCN(CCO)CC1 ZINC000342945326 135337783 /nfs/dbraw/zinc/33/77/83/135337783.db2.gz XKCKMVTWMQNPHN-CYBMUJFWSA-N 2 0 242.407 1.811 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CCCN2CC[NH+](C)CC2)C1 ZINC000080427718 135374845 /nfs/dbraw/zinc/37/48/45/135374845.db2.gz VVMJPHKBRUHIDD-ZIAGYGMSSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]CC1(C)COC1 ZINC000079472569 135397248 /nfs/dbraw/zinc/39/72/48/135397248.db2.gz ZOQFQFGHHSPXES-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP C[NH+]1CCC(O)(C[NH2+]C[C@H]2CC=CCC2)CC1 ZINC000344546899 135462757 /nfs/dbraw/zinc/46/27/57/135462757.db2.gz IAFFXXOSMZFQHX-ZDUSSCGKSA-N 2 0 238.375 1.389 20 0 BDADRP CCC[NH+]1CCC(OCCC[NH3+])CC1 ZINC000086723449 135494874 /nfs/dbraw/zinc/49/48/74/135494874.db2.gz CJTXIQFRYKCTOH-UHFFFAOYSA-N 2 0 200.326 1.226 20 0 BDADRP COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cn1 ZINC000089140513 135530995 /nfs/dbraw/zinc/53/09/95/135530995.db2.gz DBUPZUMLDANGEA-CHWSQXEVSA-N 2 0 249.358 1.697 20 0 BDADRP C[C@H]1C[C@H](C[N@@H+]2CCOCC3(CC3)C2)CC[NH2+]1 ZINC000334832927 135817158 /nfs/dbraw/zinc/81/71/58/135817158.db2.gz IVBXPKOTTVGPLC-QWHCGFSZSA-N 2 0 238.375 1.487 20 0 BDADRP C[NH+](C)CC1CC[NH+](CCOC2CCC2)CC1 ZINC000346833215 135976356 /nfs/dbraw/zinc/97/63/56/135976356.db2.gz JOZLUUZXZWCJRH-UHFFFAOYSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@H]1C[C@H](C[NH+]2CCC(CO)CC2)CC[NH2+]1 ZINC000335247171 135982083 /nfs/dbraw/zinc/98/20/83/135982083.db2.gz FNVOXLKNXWQIMP-WCQYABFASA-N 2 0 226.364 1.079 20 0 BDADRP CC[C@@H]1CC[C@@H]1[NH2+]CC1CC[NH+](CCO)CC1 ZINC000348103422 136036747 /nfs/dbraw/zinc/03/67/47/136036747.db2.gz BOVTTYSCUVMUID-KGLIPLIRSA-N 2 0 240.391 1.469 20 0 BDADRP O[C@H](C[NH2+][C@H]1CC[C@@H]1C1CC1)C[NH+]1CCCC1 ZINC000348105976 136036997 /nfs/dbraw/zinc/03/69/97/136036997.db2.gz PAASLVNLZKOHJK-MCIONIFRSA-N 2 0 238.375 1.221 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000348156669 136040904 /nfs/dbraw/zinc/04/09/04/136040904.db2.gz ITHHUOWOUMUFOI-UVOCVTCTSA-N 2 0 232.318 1.958 20 0 BDADRP Cn1cnc2cc(CN3CCC[C@@H]3C[NH3+])ccc21 ZINC000335335229 136055281 /nfs/dbraw/zinc/05/52/81/136055281.db2.gz LPOFSJJAPIEQFX-GFCCVEGCSA-N 2 0 244.342 1.496 20 0 BDADRP Cc1n[nH]c(C)c1CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000335341447 136064225 /nfs/dbraw/zinc/06/42/25/136064225.db2.gz MQQWMXKSXVHUMB-CQSZACIVSA-N 2 0 248.374 1.554 20 0 BDADRP Cc1n[nH]c(C)c1CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000335341446 136064288 /nfs/dbraw/zinc/06/42/88/136064288.db2.gz MQQWMXKSXVHUMB-AWEZNQCLSA-N 2 0 248.374 1.554 20 0 BDADRP C[C@H](NCC[C@@H]1CCC[N@@H+]1C)c1cnn(C)c1 ZINC000348309975 136066785 /nfs/dbraw/zinc/06/67/85/136066785.db2.gz QCPRBFDVCWPJKZ-AAEUAGOBSA-N 2 0 236.363 1.555 20 0 BDADRP [NH3+][C@@H]1Cc2ccccc2N(CC2CC[NH2+]CC2)C1 ZINC000335358510 136074967 /nfs/dbraw/zinc/07/49/67/136074967.db2.gz UJMPOLSJJCLPHZ-CQSZACIVSA-N 2 0 245.370 1.376 20 0 BDADRP C[C@@H](C(N)=O)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000335393374 136091601 /nfs/dbraw/zinc/09/16/01/136091601.db2.gz BZHFNZVWVDQABE-GXSJLCMTSA-N 2 0 225.336 1.232 20 0 BDADRP [NH3+]C[C@H]1C[N@H+](CC2CCC2)CC12CCOCC2 ZINC000335394924 136092356 /nfs/dbraw/zinc/09/23/56/136092356.db2.gz HEBFPDXLJHISDM-ZDUSSCGKSA-N 2 0 238.375 1.474 20 0 BDADRP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CC1C[NH2+]C1 ZINC000335553072 136098912 /nfs/dbraw/zinc/09/89/12/136098912.db2.gz SXTOPTZSZSLMHC-OTYXRUKQSA-N 2 0 234.318 1.868 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@H]2CCCSC2)CC1 ZINC000335566397 136107761 /nfs/dbraw/zinc/10/77/61/136107761.db2.gz UBOBBPUVYGCTKV-MCIGGMRASA-N 2 0 228.405 1.989 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccccn2)C1 ZINC000161710890 397759963 /nfs/dbraw/zinc/75/99/63/397759963.db2.gz WIRHZSCSJUMNCP-QWRGUYRKSA-N 2 0 205.305 1.251 20 0 BDADRP COC[C@@H](C)[NH2+]CCCCNc1ccccn1 ZINC000162920207 397783808 /nfs/dbraw/zinc/78/38/08/397783808.db2.gz KPSSXWZLJQTYHK-GFCCVEGCSA-N 2 0 237.347 1.898 20 0 BDADRP Nc1ncnc(NC2CCC([NH3+])CC2)c1Cl ZINC000642997743 397829301 /nfs/dbraw/zinc/82/93/01/397829301.db2.gz CSEUHVMUMJUYBW-UHFFFAOYSA-N 2 0 241.726 1.394 20 0 BDADRP CC1(C)C[N@H+](CC2CC[NH2+]CC2)CCCO1 ZINC000390412885 397888899 /nfs/dbraw/zinc/88/88/99/397888899.db2.gz FXVTYSALZZNIOE-UHFFFAOYSA-N 2 0 226.364 1.487 20 0 BDADRP CN(C[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](C2CC2)C1 ZINC000649528506 397921563 /nfs/dbraw/zinc/92/15/63/397921563.db2.gz LSPUCVNHRPRWTL-KGLIPLIRSA-N 2 0 237.391 1.249 20 0 BDADRP C1C[NH2+][C@H](c2noc([C@@H]3CCC[NH2+]CC3)n2)C1 ZINC000650227979 397998034 /nfs/dbraw/zinc/99/80/34/397998034.db2.gz PYEUHMCAEIAZAC-ZJUUUORDSA-N 2 0 236.319 1.351 20 0 BDADRP C[C@H]1OCC[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000121007743 398001850 /nfs/dbraw/zinc/00/18/50/398001850.db2.gz VPEPSUIYJHPMTF-ZYHUDNBSSA-N 2 0 212.337 1.095 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414824291 398045732 /nfs/dbraw/zinc/04/57/32/398045732.db2.gz QPMOQCDKLPMOLG-SYQHCUMBSA-N 2 0 239.407 1.495 20 0 BDADRP C[NH2+][C@H]1CCCN(C[C@H]([NH3+])CC(C)C)C1 ZINC000414672232 398012348 /nfs/dbraw/zinc/01/23/48/398012348.db2.gz NLUAMCOHJSBRFJ-NEPJUHHUSA-N 2 0 213.369 1.044 20 0 BDADRP C[NH2+]CC1CC[NH+](C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414672283 398012895 /nfs/dbraw/zinc/01/28/95/398012895.db2.gz NOMXALXJHLYEMS-JSGCOSHPSA-N 3 0 239.407 1.306 20 0 BDADRP C([C@H]1CCC[NH2+]C1)[N@@H+]1CCCSCC1 ZINC000042444852 398015873 /nfs/dbraw/zinc/01/58/73/398015873.db2.gz HQDBBMASHLGAQK-NSHDSACASA-N 2 0 214.378 1.425 20 0 BDADRP C[C@H]([NH3+])[C@H](C)C(=O)NCC1([NH3+])CCCCCC1 ZINC000375438178 398023977 /nfs/dbraw/zinc/02/39/77/398023977.db2.gz QLGMLENEJBOXMY-QWRGUYRKSA-N 2 0 241.379 1.138 20 0 BDADRP C[N@H+]1CC=C(C[NH2+]Cc2ccns2)CC1 ZINC000404433139 398085128 /nfs/dbraw/zinc/08/51/28/398085128.db2.gz JLJPIYVXLZHHDA-UHFFFAOYSA-N 2 0 223.345 1.495 20 0 BDADRP C[C@]1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCCO1 ZINC000245906143 398118980 /nfs/dbraw/zinc/11/89/80/398118980.db2.gz BAVRBHCOWLQPJT-MELADBBJSA-N 2 0 238.375 1.772 20 0 BDADRP CC(C)C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000052477598 167004774 /nfs/dbraw/zinc/00/47/74/167004774.db2.gz MWBHKUPEWYZXKB-UHFFFAOYSA-N 2 0 227.396 1.258 20 0 BDADRP CC(C)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000040770150 167108600 /nfs/dbraw/zinc/10/86/00/167108600.db2.gz NZMVZQNYMVIUJH-ZDUSSCGKSA-N 2 0 227.396 1.256 20 0 BDADRP C[C@@H]1CCC[C@H]([NH2+]C[C@@](C)(O)C[NH+](C)C)CC1 ZINC000227928269 487568599 /nfs/dbraw/zinc/56/85/99/487568599.db2.gz LVJNPCPIVAQEPJ-HZSPNIEDSA-N 2 0 242.407 1.857 20 0 BDADRP COCCN(C)CC[NH2+][C@H]1CS[C@@H](C)C1 ZINC000086935895 487587259 /nfs/dbraw/zinc/58/72/59/487587259.db2.gz DXKOKXWMZAZDTM-WDEREUQCSA-N 2 0 232.393 1.048 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)CS1 ZINC000086935659 487592646 /nfs/dbraw/zinc/59/26/46/487592646.db2.gz ZVFBKKYLJKXTAH-JQWIXIFHSA-N 2 0 228.405 1.812 20 0 BDADRP c1[nH+]cn2cc(C[NH2+][C@@H]3CCCOC3)ccc12 ZINC000297558351 487603316 /nfs/dbraw/zinc/60/33/16/487603316.db2.gz QIKHGVDMHWQEMC-GFCCVEGCSA-N 2 0 231.299 1.603 20 0 BDADRP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000662255357 409551453 /nfs/dbraw/zinc/55/14/53/409551453.db2.gz OSMFCFXVUMGXMX-XQQFMLRXSA-N 2 0 236.359 1.239 20 0 BDADRP O[C@H]1CCC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662286589 409618753 /nfs/dbraw/zinc/61/87/53/409618753.db2.gz QYNSVWJFDZBISH-AWEZNQCLSA-N 2 0 246.354 1.289 20 0 BDADRP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662284601 409615185 /nfs/dbraw/zinc/61/51/85/409615185.db2.gz ZFCQVIGAKACTFY-UPJWGTAASA-N 2 0 238.375 1.676 20 0 BDADRP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H]([NH3+])C(C)C ZINC000662422301 409707300 /nfs/dbraw/zinc/70/73/00/409707300.db2.gz HLIPSTPSLGLKLI-NWDGAFQWSA-N 2 0 243.395 1.097 20 0 BDADRP CC[C@H]([NH2+]C)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000662425662 409709632 /nfs/dbraw/zinc/70/96/32/409709632.db2.gz GOIRDOLNOUNVDN-MFKMUULPSA-N 2 0 249.358 1.321 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)c1cccc2c1C[NH2+]C2 ZINC000662818848 409933398 /nfs/dbraw/zinc/93/33/98/409933398.db2.gz BFGOTCWGSAASSF-VHSXEESVSA-N 2 0 247.342 1.145 20 0 BDADRP C[C@H]1C[NH2+]CC[C@@H]1C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000663495987 410274627 /nfs/dbraw/zinc/27/46/27/410274627.db2.gz BSVLWXWSSQGXBS-SWLSCSKDSA-N 3 0 247.386 1.481 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccnn1C ZINC000650718288 410355012 /nfs/dbraw/zinc/35/50/12/410355012.db2.gz FXFMPCYBQPISDR-UHFFFAOYSA-N 2 0 244.342 1.429 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](Cc2cccc3c2CCC3)C1 ZINC000650702736 410333519 /nfs/dbraw/zinc/33/35/19/410333519.db2.gz RUJPWXDCTJKOAE-GFCCVEGCSA-N 2 0 230.355 1.956 20 0 BDADRP CCOC[C@@H](C)[NH2+]CCC1(C[NH3+])CC1 ZINC000650713508 410344217 /nfs/dbraw/zinc/34/42/17/410344217.db2.gz VEALMSGXQVGOBH-SNVBAGLBSA-N 2 0 200.326 1.130 20 0 BDADRP CCc1cnc(C[NH2+]CCC2(C[NH3+])CC2)s1 ZINC000650712971 410344804 /nfs/dbraw/zinc/34/48/04/410344804.db2.gz ALLSFYKYBXWHRB-UHFFFAOYSA-N 2 0 239.388 1.924 20 0 BDADRP c1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH2+]CC1)CN2 ZINC000650715251 410348167 /nfs/dbraw/zinc/34/81/67/410348167.db2.gz VZMXVQDCBXVAKO-CYBMUJFWSA-N 2 0 231.343 1.365 20 0 BDADRP C[C@@H](CO)C1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000650715198 410350372 /nfs/dbraw/zinc/35/03/72/410350372.db2.gz UBJAKLMEFMSWBX-QWHCGFSZSA-N 2 0 240.391 1.326 20 0 BDADRP C[C@@]1(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)CC[NH2+]C1 ZINC000650724922 410360863 /nfs/dbraw/zinc/36/08/63/410360863.db2.gz OZEPVQWFUSATCC-GHMZBOCLSA-N 2 0 230.302 1.717 20 0 BDADRP Cn1ncc2c1CCC[C@@H]2[NH2+]CCC1(C[NH3+])CC1 ZINC000650744183 410379598 /nfs/dbraw/zinc/37/95/98/410379598.db2.gz IEVBWBWATCTEQW-LBPRGKRZSA-N 2 0 248.374 1.516 20 0 BDADRP COCCC[C@@H](C)[NH2+]CCC1(C[NH3+])CC1 ZINC000650743979 410379973 /nfs/dbraw/zinc/37/99/73/410379973.db2.gz CVQCKZXQENXSKG-LLVKDONJSA-N 2 0 214.353 1.520 20 0 BDADRP COCCC[C@H](C)[NH2+]CCC1(C[NH3+])CC1 ZINC000650743980 410381355 /nfs/dbraw/zinc/38/13/55/410381355.db2.gz CVQCKZXQENXSKG-NSHDSACASA-N 2 0 214.353 1.520 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]CCC1(C[NH3+])CC1 ZINC000650745313 410383156 /nfs/dbraw/zinc/38/31/56/410383156.db2.gz DGESOKCNZPZTEF-NXEZZACHSA-N 2 0 200.326 1.128 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCC2(C[NH3+])CC2)CCO1 ZINC000650745793 410383235 /nfs/dbraw/zinc/38/32/35/410383235.db2.gz NYVSCOSDVISPLD-WDEREUQCSA-N 2 0 212.337 1.273 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650746522 410385977 /nfs/dbraw/zinc/38/59/77/410385977.db2.gz DWEDVOMZAKOAHO-MNOVXSKESA-N 2 0 212.337 1.130 20 0 BDADRP C[C@H](Cc1cnccn1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650747763 410387274 /nfs/dbraw/zinc/38/72/74/410387274.db2.gz HDAXPGVHJAUOFO-LLVKDONJSA-N 2 0 234.347 1.126 20 0 BDADRP C[C@@H](Cc1cnccn1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650747764 410387510 /nfs/dbraw/zinc/38/75/10/410387510.db2.gz HDAXPGVHJAUOFO-NSHDSACASA-N 2 0 234.347 1.126 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CCC1(C[NH3+])CC1 ZINC000650747594 410388407 /nfs/dbraw/zinc/38/84/07/410388407.db2.gz DADIYJLOPFJMJA-NSHDSACASA-N 3 0 213.369 1.223 20 0 BDADRP Cc1nccnc1[C@H](C)[NH2+]CCC1(C[NH3+])CC1 ZINC000650747275 410388848 /nfs/dbraw/zinc/38/88/48/410388848.db2.gz WNDTXMLIWSZSEZ-JTQLQIEISA-N 2 0 234.347 1.565 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650755784 410399933 /nfs/dbraw/zinc/39/99/33/410399933.db2.gz MQRQMERNCXKGEY-ZJUUUORDSA-N 3 0 239.338 1.500 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000650755863 410400126 /nfs/dbraw/zinc/40/01/26/410400126.db2.gz OLGUQUPKJINEID-DOMZBBRYSA-N 3 0 247.386 1.623 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)[C@@H](C)OC ZINC000650758164 410406992 /nfs/dbraw/zinc/40/69/92/410406992.db2.gz KOGGWEKYPGPQLI-NWDGAFQWSA-N 2 0 236.359 1.919 20 0 BDADRP C[C@H]1COCC[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650761687 410408797 /nfs/dbraw/zinc/40/87/97/410408797.db2.gz HWKZNTLVAHJIHI-WCQYABFASA-N 2 0 226.364 1.391 20 0 BDADRP c1cn2c(n1)[C@H]([NH2+]CCC1CC[NH2+]CC1)CC2 ZINC000650761856 410409057 /nfs/dbraw/zinc/40/90/57/410409057.db2.gz MBVTUPYPUPOEKZ-GFCCVEGCSA-N 2 0 234.347 1.307 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCC2CC[NH2+]CC2)c2nccn21 ZINC000650761834 410409667 /nfs/dbraw/zinc/40/96/67/410409667.db2.gz LNIHSQBSMUKTHS-WCQYABFASA-N 2 0 248.374 1.868 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650761852 410409875 /nfs/dbraw/zinc/40/98/75/410409875.db2.gz MBBMPBJNJBSSIK-KBPBESRZSA-N 3 0 239.407 1.483 20 0 BDADRP C(CC1CC[NH2+]CC1)[NH2+][C@H]1CCCSC1 ZINC000650762780 410412143 /nfs/dbraw/zinc/41/21/43/410412143.db2.gz JZOXLZLACYEAHB-LBPRGKRZSA-N 2 0 228.405 1.861 20 0 BDADRP Cc1n[nH]cc1[C@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650763139 410412834 /nfs/dbraw/zinc/41/28/34/410412834.db2.gz SGJWOEVMDIIODW-JTQLQIEISA-N 2 0 236.363 1.758 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@](C)(CC)C1 ZINC000309276215 410701791 /nfs/dbraw/zinc/70/17/91/410701791.db2.gz SCNOLNNIWDFORI-OLZOCXBDSA-N 2 0 228.380 1.421 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H](CO)C2CCC2)c2ccccc21 ZINC000665234290 410723467 /nfs/dbraw/zinc/72/34/67/410723467.db2.gz AIPCIEXWFRWGPN-QLFBSQMISA-N 2 0 246.354 1.882 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](CO)C2CCC2)C1 ZINC000665234841 410726176 /nfs/dbraw/zinc/72/61/76/410726176.db2.gz KRNFKVWAOFZXNM-GRYCIOLGSA-N 2 0 212.337 1.007 20 0 BDADRP C[C@@H]1COCC[C@H]1[NH2+]CC1([NH3+])CCCC1 ZINC000665246286 410728424 /nfs/dbraw/zinc/72/84/24/410728424.db2.gz AUOLVNRNJKZNCH-GHMZBOCLSA-N 2 0 212.337 1.273 20 0 BDADRP CO[C@@H](C)[C@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC000665249413 410731333 /nfs/dbraw/zinc/73/13/33/410731333.db2.gz PUFAYCXKYCDXRQ-UWVGGRQHSA-N 2 0 200.326 1.271 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1ccoc1 ZINC000665261891 410734792 /nfs/dbraw/zinc/73/47/92/410734792.db2.gz NYSCHLJEXUHEBN-YPMHNXCESA-N 2 0 222.332 1.800 20 0 BDADRP C[C@@H]([NH2+][C@H]1COCC1(C)C)C1CC[NH+](C)CC1 ZINC000313073857 410736315 /nfs/dbraw/zinc/73/63/15/410736315.db2.gz YYPMMMKYATXIFN-YPMHNXCESA-N 2 0 240.391 1.731 20 0 BDADRP CO[C@@H](C)[C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000665280567 410755656 /nfs/dbraw/zinc/75/56/56/410755656.db2.gz GLYINBLMFUCLAD-GARJFASQSA-N 2 0 202.342 1.373 20 0 BDADRP CC[C@@H]([NH2+]CC[C@@H]([NH3+])C(C)C)[C@@H]1CCOC1 ZINC000665280819 410756632 /nfs/dbraw/zinc/75/66/32/410756632.db2.gz MJCFIGWPKDYYPJ-JHJVBQTASA-N 2 0 228.380 1.765 20 0 BDADRP C[C@@H](C1CC1)[N@H+](C[C@H]1CC[NH2+]C1)C1CC1 ZINC000393735460 410757901 /nfs/dbraw/zinc/75/79/01/410757901.db2.gz BFOYMYFJJKCXTQ-QWRGUYRKSA-N 2 0 208.349 1.859 20 0 BDADRP CC[N@H+](CCOCC[NH3+])CCC(F)(F)F ZINC000308810489 410769160 /nfs/dbraw/zinc/76/91/60/410769160.db2.gz PZZUXRLRQNJBGH-UHFFFAOYSA-N 2 0 228.258 1.236 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@@H]([NH2+]C)C1 ZINC000070584511 169773326 /nfs/dbraw/zinc/77/33/26/169773326.db2.gz IZMICUSCLMBPDD-GFCCVEGCSA-N 2 0 213.369 1.012 20 0 BDADRP CC[NH+](CC)CCCN[C@H]1CCC[NH2+]C1 ZINC000043324254 169774619 /nfs/dbraw/zinc/77/46/19/169774619.db2.gz SOETYFLPBZDJDQ-LBPRGKRZSA-N 2 0 213.369 1.060 20 0 BDADRP C[C@@H]1CCCC[C@@H]1CN1CCN(C)C[C@@H]1C[NH3+] ZINC000394865969 410828485 /nfs/dbraw/zinc/82/84/85/410828485.db2.gz UGSVVBXYDHBKHT-MCIONIFRSA-N 2 0 239.407 1.387 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCCO1)[C@H]1CCCC[NH2+]1 ZINC000395113261 410837511 /nfs/dbraw/zinc/83/75/11/410837511.db2.gz BOBQNOIPWIPAHO-YNEHKIRRSA-N 2 0 226.364 1.676 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)C1CC[NH+](C)CC1 ZINC000396458294 410881681 /nfs/dbraw/zinc/88/16/81/410881681.db2.gz OGYMXMUNIAEWDK-DGCLKSJQSA-N 3 0 225.380 1.058 20 0 BDADRP CCC(C)(C)[NH+]1CCN(C(=O)CCC[NH3+])CC1 ZINC000655495091 410891189 /nfs/dbraw/zinc/89/11/89/410891189.db2.gz SPJXZMWMEJTOII-UHFFFAOYSA-N 2 0 241.379 1.058 20 0 BDADRP CC(C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000120646805 167121973 /nfs/dbraw/zinc/12/19/73/167121973.db2.gz CWTQSPRSZMXSTP-OAHLLOKOSA-N 2 0 248.370 1.751 20 0 BDADRP CC(C)OCC[NH2+][C@@H](C)CCCC[NH3+] ZINC000308652815 167244212 /nfs/dbraw/zinc/24/42/12/167244212.db2.gz LKBHMIBMRVCLLH-NSHDSACASA-N 2 0 202.342 1.519 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C1CCC(CO)CC1 ZINC000309270333 410914146 /nfs/dbraw/zinc/91/41/46/410914146.db2.gz DJJZTIYAWPNLCS-HIFPTAJRSA-N 2 0 228.380 1.645 20 0 BDADRP CCCN(CC[NH+](C)C)C(=O)[C@@H]([NH3+])CC(C)C ZINC000041680294 410934461 /nfs/dbraw/zinc/93/44/61/410934461.db2.gz TXBWHZHASAMRPN-LBPRGKRZSA-N 2 0 243.395 1.160 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H](CO)CCF)[C@@H](C)C1 ZINC000652019085 410999476 /nfs/dbraw/zinc/99/94/76/410999476.db2.gz JIYCNMMVPJLCQP-TUAOUCFPSA-N 2 0 232.343 1.027 20 0 BDADRP CC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000400925877 411162951 /nfs/dbraw/zinc/16/29/51/411162951.db2.gz MECXNMYHYMIXFF-IJLUTSLNSA-N 2 0 208.349 1.764 20 0 BDADRP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCCCO1 ZINC000400934111 411163575 /nfs/dbraw/zinc/16/35/75/411163575.db2.gz JYBGSRJYNNNPMX-IGQOVBAYSA-N 2 0 238.375 1.533 20 0 BDADRP CC(C)C[N@H+](C)CCC[NH2+]CC[C@@H]1CCOC1 ZINC000651865628 411148201 /nfs/dbraw/zinc/14/82/01/411148201.db2.gz BDBKUNSCQVWTCB-CQSZACIVSA-N 2 0 242.407 1.981 20 0 BDADRP C[C@@H]([NH3+])CN1CCC[C@@H](OC2CCC2)C1 ZINC000655946034 411161027 /nfs/dbraw/zinc/16/10/27/411161027.db2.gz JRYZNXPCKWYDPB-ZYHUDNBSSA-N 2 0 212.337 1.367 20 0 BDADRP c1cncc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000401002775 411168536 /nfs/dbraw/zinc/16/85/36/411168536.db2.gz CEUTXLXIVGCZHS-HZSPNIEDSA-N 2 0 231.343 1.559 20 0 BDADRP Cc1noc(C)c1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401045937 411174097 /nfs/dbraw/zinc/17/40/97/411174097.db2.gz VUEMTXUTDOZVOU-RWMBFGLXSA-N 2 0 249.358 1.769 20 0 BDADRP CO[C@H](C)CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401041417 411174722 /nfs/dbraw/zinc/17/47/22/411174722.db2.gz DWSLVOXYTGWPMU-MROQNXINSA-N 2 0 226.364 1.389 20 0 BDADRP CCC[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)OC ZINC000401051233 411174893 /nfs/dbraw/zinc/17/48/93/411174893.db2.gz YFHOEMPZSCHYJE-AAVRWANBSA-N 2 0 240.391 1.779 20 0 BDADRP CCOCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401104275 411176255 /nfs/dbraw/zinc/17/62/55/411176255.db2.gz DJPCWOUJDMIXSS-GRYCIOLGSA-N 2 0 212.337 1.001 20 0 BDADRP C1[NH2+]C[C@@H]2C[C@H]([NH2+][C@@H]3CCCOCC3)CC[C@@H]12 ZINC000401150853 411177846 /nfs/dbraw/zinc/17/78/46/411177846.db2.gz PJOODABQXWQOSJ-IGQOVBAYSA-N 2 0 238.375 1.533 20 0 BDADRP CCOCCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401093066 411177911 /nfs/dbraw/zinc/17/79/11/411177911.db2.gz VYQCVKCODZRNNJ-BFHYXJOUSA-N 2 0 240.391 1.781 20 0 BDADRP FC(F)OCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401161779 411179238 /nfs/dbraw/zinc/17/92/38/411179238.db2.gz TVEADIGNFPOPSX-HBNTYKKESA-N 2 0 248.317 1.593 20 0 BDADRP C[C@](O)(C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000401172733 411179297 /nfs/dbraw/zinc/17/92/97/411179297.db2.gz XJRYDWSXAXMQAQ-OXHZDVMGSA-N 2 0 238.375 1.125 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CCOCC[NH+](C)C)CS1 ZINC000655757572 411188988 /nfs/dbraw/zinc/18/89/88/411188988.db2.gz JDYQIVASUCLTBL-NEPJUHHUSA-N 2 0 246.420 1.438 20 0 BDADRP COC1([C@H](C)[NH2+]CCOCC[NH+](C)C)CCC1 ZINC000657986920 411190711 /nfs/dbraw/zinc/19/07/11/411190711.db2.gz JQYSHEDAGPFFNB-LBPRGKRZSA-N 2 0 244.379 1.112 20 0 BDADRP C[C@@H](Cc1ccccn1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000656193854 411199789 /nfs/dbraw/zinc/19/97/89/411199789.db2.gz VZDFAROOTULMAL-QWHCGFSZSA-N 2 0 233.359 1.602 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H](N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000656197372 411202933 /nfs/dbraw/zinc/20/29/33/411202933.db2.gz DCVJUIJKSHSDFB-MCIONIFRSA-N 3 0 237.391 1.330 20 0 BDADRP C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000656197439 411203153 /nfs/dbraw/zinc/20/31/53/411203153.db2.gz JDIJCPILGFTLIW-YVECIDJPSA-N 2 0 226.364 1.661 20 0 BDADRP CC[C@@H]([NH2+]CC1(COC)CC1)[C@@H]1CCC[NH2+]1 ZINC000656199926 411204663 /nfs/dbraw/zinc/20/46/63/411204663.db2.gz GMUXPBDNFZWPOH-NEPJUHHUSA-N 2 0 226.364 1.533 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1CCC[NH2+]1 ZINC000656200082 411204682 /nfs/dbraw/zinc/20/46/82/411204682.db2.gz JFZBWSVPLZZUCG-CRWXNKLISA-N 3 0 239.407 1.447 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000656200120 411204998 /nfs/dbraw/zinc/20/49/98/411204998.db2.gz JXZVQXYICSEAFW-RFQIPJPRSA-N 3 0 239.407 1.576 20 0 BDADRP COCC1(C[NH2+][C@@H](C)CCCC[NH3+])CC1 ZINC000656199969 411205049 /nfs/dbraw/zinc/20/50/49/411205049.db2.gz HKWOOPJYCDTIKY-NSHDSACASA-N 2 0 214.353 1.520 20 0 BDADRP C[C@H](Cc1ccccn1)N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000656201232 411206030 /nfs/dbraw/zinc/20/60/30/411206030.db2.gz LADZTLZSCVLJQC-DYEKYZERSA-N 2 0 233.359 1.743 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)Cc1ccccn1)C1C[NH2+]C1 ZINC000656201068 411206209 /nfs/dbraw/zinc/20/62/09/411206209.db2.gz JHSSBYKNZIFHDQ-WDEREUQCSA-N 2 0 219.332 1.210 20 0 BDADRP COCC1(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000656201711 411207799 /nfs/dbraw/zinc/20/77/99/411207799.db2.gz XRCWAHWNUZPESY-VXGBXAGGSA-N 2 0 226.364 1.533 20 0 BDADRP FC1(F)CCC(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000656417011 411245793 /nfs/dbraw/zinc/24/57/93/411245793.db2.gz IVKQUVJJTSICOI-RYUDHWBXSA-N 2 0 244.329 1.963 20 0 BDADRP CC(C)[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652345923 411208849 /nfs/dbraw/zinc/20/88/49/411208849.db2.gz PAWPMZGNWWPIAA-YNEHKIRRSA-N 2 0 226.364 1.613 20 0 BDADRP [NH3+]CCC1CC[NH+](Cc2cc3n(n2)CCC3)CC1 ZINC000652359991 411218862 /nfs/dbraw/zinc/21/88/62/411218862.db2.gz RPDYAMRVZCDKDZ-UHFFFAOYSA-N 2 0 248.374 1.390 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@H](C)C1(C)CC1 ZINC000310226848 411226285 /nfs/dbraw/zinc/22/62/85/411226285.db2.gz GXBCTAHBSTYIQL-OLZOCXBDSA-N 2 0 242.407 1.808 20 0 BDADRP C([NH2+]C(C1CC1)C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000049237843 411229682 /nfs/dbraw/zinc/22/96/82/411229682.db2.gz LRPDJNUEOZPPRV-SNVBAGLBSA-N 2 0 208.349 1.764 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H]1CCCC1(C)C ZINC000310327202 411233958 /nfs/dbraw/zinc/23/39/58/411233958.db2.gz AXFUIGJJKZFBHF-STQMWFEESA-N 2 0 242.407 1.856 20 0 BDADRP CC[C@@H](C)[N@H+](C)CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422903609 411234382 /nfs/dbraw/zinc/23/43/82/411234382.db2.gz FVCGUZAMINUHKA-HABKJSAYSA-N 2 0 239.407 1.589 20 0 BDADRP CS[C@H](C)C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422940537 411234747 /nfs/dbraw/zinc/23/47/47/411234747.db2.gz SYYPEWVCCVDVSY-MXWKQRLJSA-N 2 0 216.394 1.988 20 0 BDADRP CC[N@@H+]1CCCC[C@H]1CN[C@@H](C)C1C[NH2+]C1 ZINC000422905642 411235154 /nfs/dbraw/zinc/23/51/54/411235154.db2.gz IMSZIKSIPWEXAY-AAEUAGOBSA-N 2 0 225.380 1.058 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@H]1CCC[C@@H]1[NH3+] ZINC000422903574 411235407 /nfs/dbraw/zinc/23/54/07/411235407.db2.gz FRQDHOBUBHHWKU-SRVKXCTJSA-N 2 0 213.369 1.186 20 0 BDADRP C[C@H]([NH2+][C@H](CO)C1CCC1)C1CC[NH+](C)CC1 ZINC000658087049 411237722 /nfs/dbraw/zinc/23/77/22/411237722.db2.gz HBDFUHXJTUBWLY-SMDDNHRTSA-N 2 0 240.391 1.467 20 0 BDADRP FCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400909849 411165580 /nfs/dbraw/zinc/16/55/80/411165580.db2.gz DVWXIDOAQTUQGT-GMTAPVOTSA-N 2 0 200.301 1.324 20 0 BDADRP Cc1ccccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088287518 411263461 /nfs/dbraw/zinc/26/34/61/411263461.db2.gz ZPVURFKGZOLNEU-OKILXGFUSA-N 2 0 216.328 1.646 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)C1(CO)CC1 ZINC000658159790 411273048 /nfs/dbraw/zinc/27/30/48/411273048.db2.gz KWMFKRNNOOXEOG-NWDGAFQWSA-N 2 0 240.391 1.467 20 0 BDADRP CC[N@H+](CC[C@H]1CCC[NH2+]C1)[C@@H]1CCCOC1 ZINC000402608131 411273512 /nfs/dbraw/zinc/27/35/12/411273512.db2.gz VMLDCHLZLYVEEO-ZIAGYGMSSA-N 2 0 240.391 1.877 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)C1 ZINC000658161232 411273988 /nfs/dbraw/zinc/27/39/88/411273988.db2.gz JAHBVNPYXCGZLS-SYQHCUMBSA-N 2 0 240.391 1.874 20 0 BDADRP c1c(C[NH2+]C2CCCCC2)nnn1[C@H]1CC[NH2+]C1 ZINC000656466214 411278669 /nfs/dbraw/zinc/27/86/69/411278669.db2.gz AFMZIPNVZQLBFM-ZDUSSCGKSA-N 2 0 249.362 1.235 20 0 BDADRP CC[NH2+]CC1CC[NH+](C[C@@H]2CC[C@H](C)O2)CC1 ZINC000129401932 411281424 /nfs/dbraw/zinc/28/14/24/411281424.db2.gz RESCQZBHBWTISC-JSGCOSHPSA-N 2 0 240.391 1.875 20 0 BDADRP CCO[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000051889760 411285160 /nfs/dbraw/zinc/28/51/60/411285160.db2.gz QMIRMCQQHAWJDK-VXGBXAGGSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H](C[NH2+]CC(C)(C)[NH3+])c1ccccn1 ZINC000656783385 411359939 /nfs/dbraw/zinc/35/99/39/411359939.db2.gz QRPMXDOOKNKWHW-JTQLQIEISA-N 2 0 207.321 1.512 20 0 BDADRP C[C@@H](C[NH2+][C@H]1CCC[NH2+]CC1)c1ccccn1 ZINC000656784147 411362057 /nfs/dbraw/zinc/36/20/57/411362057.db2.gz YZSQHANTOIHJDR-STQMWFEESA-N 2 0 233.359 1.917 20 0 BDADRP CC[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)[C@H](CC)CO1 ZINC000403877491 411363095 /nfs/dbraw/zinc/36/30/95/411363095.db2.gz SXXCHGRHIGQUGH-MGPQQGTHSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)C[C@@]1(C)CO ZINC000662146607 411367747 /nfs/dbraw/zinc/36/77/47/411367747.db2.gz SFGUXDYHAXFLHU-RDBSUJKOSA-N 2 0 240.391 1.421 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH+]2C)C[C@]1(C)CO ZINC000662146606 411368035 /nfs/dbraw/zinc/36/80/35/411368035.db2.gz SFGUXDYHAXFLHU-MGPQQGTHSA-N 2 0 240.391 1.421 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H](NCC2([NH3+])CCCC2)C1 ZINC000656789378 411369517 /nfs/dbraw/zinc/36/95/17/411369517.db2.gz NOWJELAWBZMREA-GHMZBOCLSA-N 2 0 211.353 1.117 20 0 BDADRP C[C@H]1C[C@@H](C[N@H+](C)CC2=CCCOC2)CC[NH2+]1 ZINC000656791232 411369946 /nfs/dbraw/zinc/36/99/46/411369946.db2.gz XBCCRABWGINIBG-STQMWFEESA-N 2 0 238.375 1.653 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@H]2CCOC2(C)C)CC1 ZINC000658334397 411342448 /nfs/dbraw/zinc/34/24/48/411342448.db2.gz ZQXPMHQKCQMUOG-GFCCVEGCSA-N 2 0 240.391 1.875 20 0 BDADRP CC1CC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000123324612 168145203 /nfs/dbraw/zinc/14/52/03/168145203.db2.gz LVONMXWPLPFKFZ-DZAOSMCZSA-N 2 0 208.349 2.000 20 0 BDADRP CC1CCN(C(=[NH2+])NCCC[NH+](C)C)CC1 ZINC000303263592 168169529 /nfs/dbraw/zinc/16/95/29/168169529.db2.gz RDXHCQKTHCUBRY-UHFFFAOYSA-N 2 0 226.368 1.194 20 0 BDADRP CC1CCN(C(=[NH2+])NCC[NH2+]C(C)(C)C)CC1 ZINC000304292639 168170409 /nfs/dbraw/zinc/17/04/09/168170409.db2.gz JXZFNVUIEFVZRK-UHFFFAOYSA-N 2 0 240.395 1.631 20 0 BDADRP COCCC[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404313864 411390669 /nfs/dbraw/zinc/39/06/69/411390669.db2.gz MYRDUWOPQHKILM-RYUDHWBXSA-N 2 0 214.353 1.472 20 0 BDADRP C[C@H]1CCC[N@H+](Cc2ccnn2C)[C@@H]1CC[NH3+] ZINC000404450933 411397439 /nfs/dbraw/zinc/39/74/39/411397439.db2.gz YPVHEVIDUCALQV-WCQYABFASA-N 2 0 236.363 1.369 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCC[C@H](OC(C)C)C1 ZINC000404654832 411403109 /nfs/dbraw/zinc/40/31/09/411403109.db2.gz OYICYFNUSHACRS-LBPRGKRZSA-N 2 0 214.353 1.485 20 0 BDADRP C[NH+](C)CC[C@@H](N)C(=O)Nc1ccccc1F ZINC000653056419 411408219 /nfs/dbraw/zinc/40/82/19/411408219.db2.gz FQOWJIWFIDARAO-SNVBAGLBSA-N 2 0 239.294 1.043 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]CCCn2ccnc2)CO1 ZINC000657286912 411446089 /nfs/dbraw/zinc/44/60/89/411446089.db2.gz SOFDVCHMXGBLBD-VXGBXAGGSA-N 2 0 223.320 1.430 20 0 BDADRP CC[NH+]1CCC(NCc2cnc3n2CCC3)CC1 ZINC000657292423 411453192 /nfs/dbraw/zinc/45/31/92/411453192.db2.gz KJQOSRBTNXHTMK-UHFFFAOYSA-N 2 0 248.374 1.403 20 0 BDADRP COC[C@H](C)C[NH2+]Cc1cnc2n1CCC2 ZINC000657331449 411468486 /nfs/dbraw/zinc/46/84/86/411468486.db2.gz CYLIWIUFUFBGFX-SNVBAGLBSA-N 2 0 223.320 1.201 20 0 BDADRP Cn1cnc(C[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000659844534 411475154 /nfs/dbraw/zinc/47/51/54/411475154.db2.gz NTYOCRHFFMTMPA-UHFFFAOYSA-N 2 0 236.363 1.194 20 0 BDADRP Cc1ncc(CN[C@H]2CC[N@H+](CC3CC3)C2)n1C ZINC000657355219 411477845 /nfs/dbraw/zinc/47/78/45/411477845.db2.gz GNZCFVXQEKXIMM-ZDUSSCGKSA-N 2 0 248.374 1.302 20 0 BDADRP CC[C@@H](CO)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657444235 411512215 /nfs/dbraw/zinc/51/22/15/411512215.db2.gz WSFCUGVLHWAOOF-NSHDSACASA-N 2 0 246.314 1.128 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]C2CC([NH+](C)C)C2)CCO1 ZINC000655793049 411516105 /nfs/dbraw/zinc/51/61/05/411516105.db2.gz NJRJEUHXCPWEAT-YWPUVAFDSA-N 2 0 226.364 1.626 20 0 BDADRP COC(C)(C)[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655803763 411518156 /nfs/dbraw/zinc/51/81/56/411518156.db2.gz DBOKUIZUFWVPSC-SDDRHHMPSA-N 2 0 228.380 1.730 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]1C[C@H]1C ZINC000655803894 411518668 /nfs/dbraw/zinc/51/86/68/411518668.db2.gz HCVLLDZPNIPCRR-KVSVUVNWSA-N 2 0 210.365 1.961 20 0 BDADRP COC[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)C1CC1 ZINC000655805055 411519330 /nfs/dbraw/zinc/51/93/30/411519330.db2.gz ANLOTYMREHGMOU-UHTWSYAYSA-N 2 0 226.364 1.341 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000655804120 411519691 /nfs/dbraw/zinc/51/96/91/411519691.db2.gz QPFZFPCXPGUHMV-IGQOVBAYSA-N 2 0 240.391 1.874 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+]CC2(O)CCCCC2)C1 ZINC000037893976 170007414 /nfs/dbraw/zinc/00/74/14/170007414.db2.gz QWWPIXUZXRAJMW-ZDUSSCGKSA-N 2 0 240.391 1.613 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc[nH]c2)C1 ZINC000085579305 170008213 /nfs/dbraw/zinc/00/82/13/170008213.db2.gz JLVBPNALMYFJQR-LBPRGKRZSA-N 2 0 207.321 1.446 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCCO)C[C@H]1C ZINC000336677381 170009350 /nfs/dbraw/zinc/00/93/50/170009350.db2.gz NSXMXWMKSTTZJL-CHWSQXEVSA-N 2 0 228.380 1.564 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCSC2)C1 ZINC000037484181 170009910 /nfs/dbraw/zinc/00/99/10/170009910.db2.gz FYNYSHHEZMSPSP-WDEREUQCSA-N 2 0 214.378 1.423 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+]C2CCOCC2)C1 ZINC000037484296 170015781 /nfs/dbraw/zinc/01/57/81/170015781.db2.gz PJCMVWKBNBQIRA-LLVKDONJSA-N 2 0 212.337 1.097 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCOC2(C)C)C1 ZINC000328440705 170016975 /nfs/dbraw/zinc/01/69/75/170016975.db2.gz MJWXFPQWAMTDLR-NEPJUHHUSA-N 2 0 226.364 1.485 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(O)c2)C1 ZINC000037644135 170017287 /nfs/dbraw/zinc/01/72/87/170017287.db2.gz PRBQCIOCAUSOGP-CYBMUJFWSA-N 2 0 234.343 1.824 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)CC[C@@H](C)O)C[C@H]1C ZINC000336662607 170017998 /nfs/dbraw/zinc/01/79/98/170017998.db2.gz CMAVVFZOUFKLPV-UPJWGTAASA-N 2 0 228.380 1.562 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](C)O)[C@@H](C)C1 ZINC000336693994 170019654 /nfs/dbraw/zinc/01/96/54/170019654.db2.gz SYKDGORQPBJIEC-SRVKXCTJSA-N 2 0 214.353 1.029 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)C2CC2)[C@H](C)C1 ZINC000353517828 170020172 /nfs/dbraw/zinc/02/01/72/170020172.db2.gz ZELYBVZGALCHAD-XBFCOCLRSA-N 2 0 240.391 1.325 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CCC[C@@H](C)O)[C@@H](C)C1 ZINC000309461598 170021248 /nfs/dbraw/zinc/02/12/48/170021248.db2.gz OBGCCFWPMVCBEQ-XQQFMLRXSA-N 2 0 228.380 1.467 20 0 BDADRP CC[N@H+]1C[C@H](N[C@@H](C)C[NH+](C)C(C)C)[C@@H](C)C1 ZINC000353568073 170037104 /nfs/dbraw/zinc/03/71/04/170037104.db2.gz OTNJAMHLSINZLD-IHRRRGAJSA-N 2 0 241.423 1.645 20 0 BDADRP CC[N@@H+]1C[C@H](C)[C@H](NCC[NH+](C)C(C)C)C1 ZINC000336674666 170039087 /nfs/dbraw/zinc/03/90/87/170039087.db2.gz AXDSBBBDLCYYMM-QWHCGFSZSA-N 2 0 227.396 1.256 20 0 BDADRP COC1CC(CC[NH2+][C@H]2CN(C)C[C@H]2C)C1 ZINC000657528367 411542241 /nfs/dbraw/zinc/54/22/41/411542241.db2.gz YQVYUYXPJIIGLT-XVSSEFHLSA-N 2 0 226.364 1.341 20 0 BDADRP COC1CC(CC[NH2+][C@@H]2CN(C)C[C@H]2C)C1 ZINC000657528365 411542361 /nfs/dbraw/zinc/54/23/61/411542361.db2.gz YQVYUYXPJIIGLT-IKWCTNDRSA-N 2 0 226.364 1.341 20 0 BDADRP C1CCN2CCC[C@@H]([NH2+][C@@H]3CCCOC3)[C@H]2C1 ZINC000655849472 411537985 /nfs/dbraw/zinc/53/79/85/411537985.db2.gz VNGCUWGCLYONND-MGPQQGTHSA-N 2 0 238.375 1.772 20 0 BDADRP CC[NH2+]CC1CC[NH+](CCOCC)CC1 ZINC000053659063 170110159 /nfs/dbraw/zinc/11/01/59/170110159.db2.gz QBMZIJLVQDXRPY-UHFFFAOYSA-N 2 0 214.353 1.344 20 0 BDADRP CCOC1CC([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000124460737 170329328 /nfs/dbraw/zinc/32/93/28/170329328.db2.gz CPOQWYICTNULKT-DCBWTQNWSA-N 2 0 238.375 1.628 20 0 BDADRP CCOCC(C)(C)C[NH2+][C@@H](C)CCC[NH3+] ZINC000336671954 170352218 /nfs/dbraw/zinc/35/22/18/170352218.db2.gz GIPNUEJFPLQSEA-NSHDSACASA-N 2 0 216.369 1.766 20 0 BDADRP CCOCCC[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000122351369 170375742 /nfs/dbraw/zinc/37/57/42/170375742.db2.gz LHTWJDQJAFYMFG-QWRGUYRKSA-N 2 0 200.326 1.082 20 0 BDADRP CCOCCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000308878688 170376304 /nfs/dbraw/zinc/37/63/04/170376304.db2.gz CFXLJPYGXQVCRZ-TUAOUCFPSA-N 2 0 212.337 1.082 20 0 BDADRP CCOCC[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000336674138 170391783 /nfs/dbraw/zinc/39/17/83/170391783.db2.gz LJIZDFIDAALLKC-OLZOCXBDSA-N 2 0 228.380 1.828 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)C2(OC)CCC2)C1 ZINC000657843459 411610589 /nfs/dbraw/zinc/61/05/89/411610589.db2.gz ZCRGDJXCLORUNG-CHWSQXEVSA-N 2 0 240.391 1.875 20 0 BDADRP COCC[C@H](C)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660657165 411613491 /nfs/dbraw/zinc/61/34/91/411613491.db2.gz OCFFLGQCTSENAS-UONOGXRCSA-N 2 0 240.391 1.829 20 0 BDADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC1(C)COC1)C2 ZINC000660660454 411615170 /nfs/dbraw/zinc/61/51/70/411615170.db2.gz VSHOCMIKNYZZKR-CQSZACIVSA-N 2 0 238.375 1.441 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH2+]C1(C2CCC2)CC1 ZINC000660921208 411672498 /nfs/dbraw/zinc/67/24/98/411672498.db2.gz VBUSDWKNSHOXPO-ZDUSSCGKSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@H]([NH3+])c1ccc(C[NH2+]C[C@@]23C[C@@H]2C[NH2+]C3)cc1 ZINC000663495582 411674682 /nfs/dbraw/zinc/67/46/82/411674682.db2.gz ZKDAUEJJCSOFNL-NILFDRSVSA-N 3 0 245.370 1.405 20 0 BDADRP C([NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663495921 411677530 /nfs/dbraw/zinc/67/75/30/411677530.db2.gz QXTIPRGTFNNXFG-ILXRZTDVSA-N 3 0 249.402 1.060 20 0 BDADRP CC[N@@H+]1CC[C@H](NCC23CC(C2)C[NH2+]3)[C@H](C)C1 ZINC000663498253 411682293 /nfs/dbraw/zinc/68/22/93/411682293.db2.gz NXDMDXKDDZTBPX-ZIHBUVQPSA-N 2 0 237.391 1.058 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)CC[NH2+]1 ZINC000663500952 411684427 /nfs/dbraw/zinc/68/44/27/411684427.db2.gz QOAILJHHQHOHCB-SYQHCUMBSA-N 2 0 238.375 1.343 20 0 BDADRP C[C@H]1C[C@@H](C[N@H+](C)CC2=CCSC2)CC[NH2+]1 ZINC000663506238 411687674 /nfs/dbraw/zinc/68/76/74/411687674.db2.gz KPLVPXJUJLOLJM-RYUDHWBXSA-N 2 0 240.416 1.980 20 0 BDADRP C[NH2+]C[C@H](C)[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000663510722 411691959 /nfs/dbraw/zinc/69/19/59/411691959.db2.gz RERJUKAYDPNDPX-SRVKXCTJSA-N 2 0 214.353 1.388 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@H]2COC[C@@]2(C)C1 ZINC000661701982 411847953 /nfs/dbraw/zinc/84/79/53/411847953.db2.gz UFLMNFJFECZFSC-BFHYXJOUSA-N 2 0 238.375 1.439 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661715659 411855764 /nfs/dbraw/zinc/85/57/64/411855764.db2.gz NFWVWVPJANICJA-BFHYXJOUSA-N 2 0 238.375 1.318 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000662222505 412031265 /nfs/dbraw/zinc/03/12/65/412031265.db2.gz FRZQTZSFEHMIPA-AWEZNQCLSA-N 2 0 238.375 1.489 20 0 BDADRP CO[C@H](C[N@H+](C)CCC[NH3+])C1CCC1 ZINC000662243467 412040080 /nfs/dbraw/zinc/04/00/80/412040080.db2.gz BYBJQOGIJTUZKS-LLVKDONJSA-N 2 0 200.326 1.082 20 0 BDADRP Cc1cc(CN2CCC[C@H](C)[C@@H]2C[NH3+])nc(C)n1 ZINC000662245019 412041253 /nfs/dbraw/zinc/04/12/53/412041253.db2.gz LJAVVTPSEAKPKC-HZMBPMFUSA-N 2 0 248.374 1.653 20 0 BDADRP Cc1cc(CN2CCC[C@@H](C)[C@@H]2C[NH3+])nc(C)n1 ZINC000662245022 412041933 /nfs/dbraw/zinc/04/19/33/412041933.db2.gz LJAVVTPSEAKPKC-YGRLFVJLSA-N 2 0 248.374 1.653 20 0 BDADRP CCc1nocc1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000662247139 412042647 /nfs/dbraw/zinc/04/26/47/412042647.db2.gz SYHAPRWKEMIOBQ-SNVBAGLBSA-N 2 0 237.347 1.796 20 0 BDADRP CO[C@@H](C[N@@H+]1CC[C@H](C[NH3+])C1)C1CCCC1 ZINC000662247558 412044130 /nfs/dbraw/zinc/04/41/30/412044130.db2.gz XPUFULZXVOHERZ-YPMHNXCESA-N 2 0 226.364 1.472 20 0 BDADRP CCc1nocc1CN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000662247102 412044271 /nfs/dbraw/zinc/04/42/71/412044271.db2.gz ZDQALEZZVGWWOF-KOLCDFICSA-N 2 0 223.320 1.406 20 0 BDADRP C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249937 412046833 /nfs/dbraw/zinc/04/68/33/412046833.db2.gz VSCRIIWQYKSUEZ-UPJWGTAASA-N 2 0 238.375 1.770 20 0 BDADRP CC(C)[C@@](C)(C[NH3+])[NH2+]CCO[C@H]1CC1(F)F ZINC000662249944 412047590 /nfs/dbraw/zinc/04/75/90/412047590.db2.gz VWUABVZFMKHDGO-VHSXEESVSA-N 2 0 236.306 1.374 20 0 BDADRP CC(C)[C@H](C)[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252118 412048628 /nfs/dbraw/zinc/04/86/28/412048628.db2.gz MDHUSJSEGYTEJB-RYUDHWBXSA-N 2 0 226.364 1.484 20 0 BDADRP CC[C@@H]1C[C@@H](C)C[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662256600 412050891 /nfs/dbraw/zinc/05/08/91/412050891.db2.gz WSXCCYYUKDPVSW-JHJVBQTASA-N 2 0 238.375 1.628 20 0 BDADRP CC[C@@H]1CC[C@@H]1[NH2+]CCN(C)CCCOC ZINC000336741149 171041439 /nfs/dbraw/zinc/04/14/39/171041439.db2.gz QUJARHLTSRJCID-OLZOCXBDSA-N 2 0 228.380 1.733 20 0 BDADRP CC[C@@H]1CC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000309573696 171058662 /nfs/dbraw/zinc/05/86/62/171058662.db2.gz OHGNJFVFAKCXCU-FRRDWIJNSA-N 2 0 226.364 1.221 20 0 BDADRP Cc1nnc([C@H](C)[NH+]2CCC3(CC[NH2+]C3)CC2)[nH]1 ZINC000662274077 412064725 /nfs/dbraw/zinc/06/47/25/412064725.db2.gz QUXWOGLMNWKUMK-JTQLQIEISA-N 2 0 249.362 1.250 20 0 BDADRP Cc1nocc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000662274184 412065203 /nfs/dbraw/zinc/06/52/03/412065203.db2.gz FRIGSJGWLJUDAZ-CQSZACIVSA-N 2 0 249.358 1.947 20 0 BDADRP C[C@@H]1CCCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662279006 412071564 /nfs/dbraw/zinc/07/15/64/412071564.db2.gz DYEJXHZEOFTFDQ-OLZOCXBDSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCC2(C[NH2+]C2)O1)c1ccccc1 ZINC000662281012 412073469 /nfs/dbraw/zinc/07/34/69/412073469.db2.gz HGYFVHNUXDSYMF-TZMCWYRMSA-N 2 0 246.354 1.858 20 0 BDADRP CC[C@H](C)C[C@H](CC)[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000358230046 171299330 /nfs/dbraw/zinc/29/93/30/171299330.db2.gz GNLWZALNCBPCME-IHRRRGAJSA-N 2 0 242.407 1.857 20 0 BDADRP COCC[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290808 412080081 /nfs/dbraw/zinc/08/00/81/412080081.db2.gz KTMNJMAWRLVAKX-CYBMUJFWSA-N 2 0 226.364 1.344 20 0 BDADRP [NH3+][C@@H]1CCc2ccccc2N(C[C@H]2CC[NH2+]C2)C1 ZINC000662301543 412087100 /nfs/dbraw/zinc/08/71/00/412087100.db2.gz HFXBUGGJVCCZOR-GXTWGEPZSA-N 2 0 245.370 1.376 20 0 BDADRP [NH3+]C[C@@H]1CCc2ccccc2N1C[C@@H]1CC[NH2+]C1 ZINC000662304472 412088074 /nfs/dbraw/zinc/08/80/74/412088074.db2.gz JRPIYBFIZICALF-OCCSQVGLSA-N 2 0 245.370 1.376 20 0 BDADRP [NH3+]CCCN1C[C@H]([NH3+])CCc2ccccc21 ZINC000662301875 412088686 /nfs/dbraw/zinc/08/86/86/412088686.db2.gz IYTVSAAYBVVNGC-GFCCVEGCSA-N 2 0 219.332 1.115 20 0 BDADRP [NH3+]CC12CC(C1)C[N@@H+]2CC1CCCCC1 ZINC000662304207 412089759 /nfs/dbraw/zinc/08/97/59/412089759.db2.gz MXWWMSFSCCNFKT-UHFFFAOYSA-N 2 0 208.349 1.990 20 0 BDADRP [NH3+]CCCN1c2ccccc2CC[C@@H]1C[NH3+] ZINC000662305176 412091530 /nfs/dbraw/zinc/09/15/30/412091530.db2.gz PPHHPBJAIADGCT-GFCCVEGCSA-N 2 0 219.332 1.115 20 0 BDADRP CCC1(CC)CCC[N@H+](CCOCC[NH3+])C1 ZINC000662308913 412092529 /nfs/dbraw/zinc/09/25/29/412092529.db2.gz FZAZCNGGBLSSHA-UHFFFAOYSA-N 2 0 228.380 1.864 20 0 BDADRP Cn1cc(C[C@H]2CCC[C@H]2[NH2+]CCC[NH3+])cn1 ZINC000662310256 412093949 /nfs/dbraw/zinc/09/39/49/412093949.db2.gz IYWKMFFZQFWIFI-CHWSQXEVSA-N 2 0 236.363 1.070 20 0 BDADRP c1cc(C2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)no1 ZINC000662315284 412096168 /nfs/dbraw/zinc/09/61/68/412096168.db2.gz DNFVBEZUKVTLTJ-GFCCVEGCSA-N 2 0 249.358 1.854 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662325062 412102518 /nfs/dbraw/zinc/10/25/18/412102518.db2.gz BLGHOTKEQDHTPX-VXGBXAGGSA-N 2 0 231.359 1.089 20 0 BDADRP C[N@H+](CCC[NH3+])C[C@H]1CCc2ccccc21 ZINC000662324388 412103577 /nfs/dbraw/zinc/10/35/77/412103577.db2.gz WWILKFKFBRJNOB-CYBMUJFWSA-N 2 0 218.344 1.997 20 0 BDADRP Cc1c(C[NH3+])cccc1C1=CC[NH2+]CC1 ZINC000665174378 412119943 /nfs/dbraw/zinc/11/99/43/412119943.db2.gz MRRIIQQUEHKUCW-UHFFFAOYSA-N 2 0 202.301 1.830 20 0 BDADRP [NH3+]Cc1cccc(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000662393478 412142691 /nfs/dbraw/zinc/14/26/91/412142691.db2.gz UDICQLPRSKMHJD-NEPJUHHUSA-N 2 0 233.315 1.211 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@H](C)n2ncnc21 ZINC000665236055 412176889 /nfs/dbraw/zinc/17/68/89/412176889.db2.gz GJHFSNQFJQHFGD-OUAUKWLOSA-N 2 0 237.351 1.391 20 0 BDADRP Cc1ccncc1CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000665238693 412178763 /nfs/dbraw/zinc/17/87/63/412178763.db2.gz ALSLZMABALRQRI-ZFWWWQNUSA-N 2 0 247.386 1.910 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCO[C@H]1CC1(F)F ZINC000665244107 412187626 /nfs/dbraw/zinc/18/76/26/412187626.db2.gz GHKORFPYRRPIRF-YIZRAAEISA-N 2 0 222.279 1.126 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCO[C@H]1CC1(F)F ZINC000665244658 412188484 /nfs/dbraw/zinc/18/84/84/412188484.db2.gz SORPDPSRNZCUCT-VWYCJHECSA-N 2 0 248.317 1.388 20 0 BDADRP C[C@@H](Cc1cnccn1)[NH2+]CC1([NH3+])CCCC1 ZINC000665247271 412192907 /nfs/dbraw/zinc/19/29/07/412192907.db2.gz YYJZPLJJVRKJDF-NSHDSACASA-N 2 0 234.347 1.269 20 0 BDADRP C[C@H]([NH2+]CC1([NH3+])CCCC1)C1CC[NH+](C)CC1 ZINC000665249103 412195697 /nfs/dbraw/zinc/19/56/97/412195697.db2.gz JWAIRDVBKMDEHA-LBPRGKRZSA-N 3 0 239.407 1.578 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CCc1ccoc1 ZINC000665261557 412202532 /nfs/dbraw/zinc/20/25/32/412202532.db2.gz GGHHIZMCTQKPNJ-GFCCVEGCSA-N 2 0 226.320 1.166 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCC(C)(C)F ZINC000665261970 412203417 /nfs/dbraw/zinc/20/34/17/412203417.db2.gz PZULSBYTFYMFPR-GARJFASQSA-N 2 0 232.343 1.467 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1ccoc1 ZINC000665261889 412204045 /nfs/dbraw/zinc/20/40/45/412204045.db2.gz NYSCHLJEXUHEBN-DGCLKSJQSA-N 2 0 222.332 1.800 20 0 BDADRP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)O1 ZINC000665264731 412207863 /nfs/dbraw/zinc/20/78/63/412207863.db2.gz HBWFECMEDNJKLS-AAVRWANBSA-N 2 0 240.391 1.922 20 0 BDADRP Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000665273290 412213360 /nfs/dbraw/zinc/21/33/60/412213360.db2.gz TYFOESQNPAQCSD-MELADBBJSA-N 2 0 231.343 1.726 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CCC1CC(OC)C1 ZINC000665230401 412163930 /nfs/dbraw/zinc/16/39/30/412163930.db2.gz NZETVWUMACZHJS-OTTFEQOBSA-N 2 0 244.379 1.145 20 0 BDADRP COC1CC(CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000665230966 412168355 /nfs/dbraw/zinc/16/83/55/412168355.db2.gz ZMGICQZRBJOSTJ-QBHFIFKDSA-N 2 0 226.364 1.661 20 0 BDADRP COC1CC(CC[NH2+][C@H](C)CCCC[NH3+])C1 ZINC000665229807 412169071 /nfs/dbraw/zinc/16/90/71/412169071.db2.gz DAPVKHXWLIZELB-PNESKVBLSA-N 2 0 228.380 1.909 20 0 BDADRP CC[C@H]([NH2+]CC[C@H](COC)OC)[C@@H]1CCC[NH2+]1 ZINC000665234325 412172243 /nfs/dbraw/zinc/17/22/43/412172243.db2.gz BACSJDIDQZCQCS-AGIUHOORSA-N 2 0 244.379 1.158 20 0 BDADRP CO[C@H](C[NH2+][C@H](C)CCCC[NH3+])[C@H]1CCOC1 ZINC000665234425 412173959 /nfs/dbraw/zinc/17/39/59/412173959.db2.gz CPZLUMLRNMLUOI-FRRDWIJNSA-N 2 0 244.379 1.145 20 0 BDADRP C[C@@H](N[C@H]1CC[N@@H+](C(C)(C)C)C1)C1C[NH2+]C1 ZINC000665235829 412174640 /nfs/dbraw/zinc/17/46/40/412174640.db2.gz ARQDEEPOWXUDJL-PWSUYJOCSA-N 2 0 225.380 1.057 20 0 BDADRP CC[C@H]([NH2+]C)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000662683400 412269368 /nfs/dbraw/zinc/26/93/68/412269368.db2.gz NRWIUUUKVSGLMH-ZDUSSCGKSA-N 2 0 249.358 1.685 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000665274663 412217481 /nfs/dbraw/zinc/21/74/81/412217481.db2.gz VLXFNISJNCAOQS-DJLDLDEBSA-N 2 0 220.307 1.993 20 0 BDADRP Cc1cncc(CC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])n1 ZINC000665274789 412217904 /nfs/dbraw/zinc/21/79/04/412217904.db2.gz YLJHZZWXNSNKNQ-UONOGXRCSA-N 2 0 248.374 1.577 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1[NH3+])C1CCCC1 ZINC000665275440 412218533 /nfs/dbraw/zinc/21/85/33/412218533.db2.gz KUEFUDXVMMIKDA-YNEHKIRRSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@@H](CCc1ccco1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665276498 412219148 /nfs/dbraw/zinc/21/91/48/412219148.db2.gz DXGPADPIJYGZBF-DCBWTQNWSA-N 2 0 234.343 1.942 20 0 BDADRP C[C@H](CCC[NH3+])NC(=O)c1cccc2c1C[NH2+]C2 ZINC000662567186 412222587 /nfs/dbraw/zinc/22/25/87/412222587.db2.gz CABWBUUTLWMBAT-SNVBAGLBSA-N 2 0 247.342 1.147 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000662569912 412223866 /nfs/dbraw/zinc/22/38/66/412223866.db2.gz WWLTXIAZXYNDLR-QWHCGFSZSA-N 2 0 245.326 1.356 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000665281769 412224270 /nfs/dbraw/zinc/22/42/70/412224270.db2.gz KOENTXNFXWZTKR-UPJWGTAASA-N 2 0 227.396 1.338 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000665281771 412224965 /nfs/dbraw/zinc/22/49/65/412224965.db2.gz KOENTXNFXWZTKR-XQQFMLRXSA-N 2 0 227.396 1.338 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+]CC[C@@H]([NH3+])C(C)C)C1 ZINC000665282261 412227743 /nfs/dbraw/zinc/22/77/43/412227743.db2.gz UNJVIBZUDYWCHS-FRRDWIJNSA-N 2 0 228.380 1.907 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000665284043 412229066 /nfs/dbraw/zinc/22/90/66/412229066.db2.gz ZKXSHVZAYRERGI-IJLUTSLNSA-N 2 0 213.369 1.077 20 0 BDADRP CC(C)[C@H]([NH3+])CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000665283155 412229544 /nfs/dbraw/zinc/22/95/44/412229544.db2.gz INEGHLOWWSZXQE-ZGVCCVRISA-N 2 0 225.380 1.232 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCCc1ccco1 ZINC000665284019 412229566 /nfs/dbraw/zinc/22/95/66/412229566.db2.gz YVYXYQUUURVWCJ-NWDGAFQWSA-N 2 0 208.305 1.682 20 0 BDADRP CCC[C@H](CC)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665291725 412237872 /nfs/dbraw/zinc/23/78/72/412237872.db2.gz JNMOTHRINPHCSI-VIFPVBQESA-N 2 0 238.335 1.309 20 0 BDADRP C[NH2+]C[C@H](C)N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000665298052 412246535 /nfs/dbraw/zinc/24/65/35/412246535.db2.gz QXEGUCIYWAZBEU-TVYUQYBPSA-N 2 0 219.332 1.329 20 0 BDADRP C[C@@H](CCNC(=O)C1([NH3+])CCCCC1)[NH+](C)C ZINC000662857374 412327347 /nfs/dbraw/zinc/32/73/47/412327347.db2.gz ANVBNNNLORKOEZ-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000662953287 412353266 /nfs/dbraw/zinc/35/32/66/412353266.db2.gz LWIOEDXDYCHGEC-SRVKXCTJSA-N 2 0 241.379 1.008 20 0 BDADRP C[NH2+]C[C@H](C)NC(=O)CC1(C[NH3+])CCCCC1 ZINC000662964665 412357419 /nfs/dbraw/zinc/35/74/19/412357419.db2.gz DSTSPJWAYBSWDP-NSHDSACASA-N 2 0 241.379 1.010 20 0 BDADRP Nc1ncnc(NCCC[NH2+]C2CC2)c1Cl ZINC000634811478 412303864 /nfs/dbraw/zinc/30/38/64/412303864.db2.gz GYWAJLWFRZPSRK-UHFFFAOYSA-N 2 0 241.726 1.266 20 0 BDADRP CCn1cc(CN2CC[C@@](C)(C[NH3+])C2)cn1 ZINC000234206942 172164655 /nfs/dbraw/zinc/16/46/55/172164655.db2.gz CNXUFTMXRTZCAP-LBPRGKRZSA-N 2 0 222.336 1.074 20 0 BDADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(C)(O)CC1 ZINC000126891636 173007233 /nfs/dbraw/zinc/00/72/33/173007233.db2.gz WGGVFEUMAWLRLT-ZDUSSCGKSA-N 2 0 240.391 1.708 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CCN1CC[C@H](F)C1 ZINC000336262591 173029084 /nfs/dbraw/zinc/02/90/84/173029084.db2.gz DHVRVRPEYZXFBR-WDEREUQCSA-N 2 0 200.301 1.515 20 0 BDADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H]3CCOC3)CC[C@H]21 ZINC000336712391 173036000 /nfs/dbraw/zinc/03/60/00/173036000.db2.gz RWSBANOOBFVENB-MGPQQGTHSA-N 2 0 238.375 1.439 20 0 BDADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCCCCO)CC[C@@H]21 ZINC000129154893 173036715 /nfs/dbraw/zinc/03/67/15/173036715.db2.gz JZZMLWICWPFGCU-KGLIPLIRSA-N 2 0 240.391 1.565 20 0 BDADRP C[N@@H+]1CCC[C@H](CNc2cc[nH+]cc2)C1 ZINC000044537716 173042465 /nfs/dbraw/zinc/04/24/65/173042465.db2.gz YCZVTNKQJUMMGB-LLVKDONJSA-N 2 0 205.305 1.835 20 0 BDADRP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CCOC1 ZINC000336554754 173042878 /nfs/dbraw/zinc/04/28/78/173042878.db2.gz BJDRSPMXRBPURG-RYUDHWBXSA-N 2 0 212.337 1.049 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1C[C@@H](O)C(C)(C)C1 ZINC000336250373 173052657 /nfs/dbraw/zinc/05/26/57/173052657.db2.gz LGXMCUYQHYORPA-NWDGAFQWSA-N 2 0 226.364 1.173 20 0 BDADRP C[N@@H+]1CCC[C@H]2C[NH+](CCCCCO)CC[C@@H]21 ZINC000129154690 173058871 /nfs/dbraw/zinc/05/88/71/173058871.db2.gz JZZMLWICWPFGCU-KBPBESRZSA-N 2 0 240.391 1.565 20 0 BDADRP C[NH+]1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000041246230 173078919 /nfs/dbraw/zinc/07/89/19/173078919.db2.gz BYVWAUJQXKTXNC-UHFFFAOYSA-N 2 0 225.380 1.110 20 0 BDADRP C[N@@H+]1CCN(CC(C)(C)[NH3+])[C@H](c2ccccc2)C1 ZINC000226881599 173079825 /nfs/dbraw/zinc/07/98/25/173079825.db2.gz YAWRDKUULPJXES-AWEZNQCLSA-N 2 0 247.386 1.712 20 0 BDADRP C[NH+]1CCN(CCC[NH2+]CCC(C)(C)C)CC1 ZINC000059382842 173080797 /nfs/dbraw/zinc/08/07/97/173080797.db2.gz GPBOCQPENLHDAZ-UHFFFAOYSA-N 2 0 241.423 1.650 20 0 BDADRP C[N@@H+]1CC[C@@H](C[NH2+]CC2(O)CCCCC2)C1 ZINC000037894289 173114389 /nfs/dbraw/zinc/11/43/89/173114389.db2.gz OUCMJTULPQWRHZ-LBPRGKRZSA-N 2 0 226.364 1.223 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CCc2cn[nH]c2)[C@@H]2CCC[C@H]21 ZINC000353609186 173151516 /nfs/dbraw/zinc/15/15/16/173151516.db2.gz BGZSDXQZMFMCRJ-MELADBBJSA-N 2 0 248.374 1.415 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CCCCO)[C@@H]2CCC[C@H]21 ZINC000375849205 173152519 /nfs/dbraw/zinc/15/25/19/173152519.db2.gz GGDLRTYASSENRF-RWMBFGLXSA-N 2 0 226.364 1.221 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCOC2)[C@@H]2CCC[C@H]21 ZINC000367884931 173154556 /nfs/dbraw/zinc/15/45/56/173154556.db2.gz IXZCQJASWFEMET-XDQVBPFNSA-N 2 0 238.375 1.628 20 0 BDADRP Cn1cncc1C[NH2+][C@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000377796823 173154696 /nfs/dbraw/zinc/15/46/96/173154696.db2.gz VHXVJUVSOPUCBN-IHRRRGAJSA-N 2 0 248.374 1.383 20 0 BDADRP C[NH2+]CC1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000063158875 173338295 /nfs/dbraw/zinc/33/82/95/173338295.db2.gz SRNACNYEQYYNPJ-UHFFFAOYSA-N 2 0 237.347 1.723 20 0 BDADRP C[NH2+]CC1CC[NH+](Cc2ncccc2C)CC1 ZINC000161837372 173338409 /nfs/dbraw/zinc/33/84/09/173338409.db2.gz LIZHQUGKVBRTRN-UHFFFAOYSA-N 2 0 233.359 1.821 20 0 BDADRP C[NH2+]CCC1CC[NH+]([C@H](C)COC)CC1 ZINC000070534506 173342634 /nfs/dbraw/zinc/34/26/34/173342634.db2.gz QXZGLTJOQIWWKM-LLVKDONJSA-N 2 0 214.353 1.343 20 0 BDADRP C[NH2+]CCCC(=O)NCC[NH+](C(C)C)C(C)C ZINC000037610520 173343903 /nfs/dbraw/zinc/34/39/03/173343903.db2.gz VWLHZHYLRNPQQN-UHFFFAOYSA-N 2 0 243.395 1.221 20 0 BDADRP C[NH2+]CCCN(CC[NH3+])CCc1ccccc1 ZINC000339894960 173346904 /nfs/dbraw/zinc/34/69/04/173346904.db2.gz GPQQBNOCMDSTHR-UHFFFAOYSA-N 2 0 235.375 1.099 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](CCc2ccc(OC)cc2)C1 ZINC000011892015 173370725 /nfs/dbraw/zinc/37/07/25/173370725.db2.gz OPSCRSBOSUFKJQ-AWEZNQCLSA-N 2 0 248.370 1.779 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)C[NH2+]CC2CC2)c1 ZINC000296364762 173389652 /nfs/dbraw/zinc/38/96/52/173389652.db2.gz JPTOSGGUFLCRHT-UHFFFAOYSA-N 2 0 247.342 1.344 20 0 BDADRP COCC(C)(C)C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000339409341 174069736 /nfs/dbraw/zinc/06/97/36/174069736.db2.gz KTLRINGBCZLGSV-GFCCVEGCSA-N 2 0 230.396 1.964 20 0 BDADRP COCC(C)(C)C[NH2+]CCC[NH+](C)C ZINC000308484924 174071203 /nfs/dbraw/zinc/07/12/03/174071203.db2.gz NVGRLTFBENQVTF-UHFFFAOYSA-N 2 0 202.342 1.200 20 0 BDADRP COCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000300360430 174177874 /nfs/dbraw/zinc/17/78/74/174177874.db2.gz YJVBPVVAPZAPNA-VXGBXAGGSA-N 2 0 214.353 1.472 20 0 BDADRP COCCCCC[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000336745060 174180604 /nfs/dbraw/zinc/18/06/04/174180604.db2.gz QMJXUTWMQSSCLL-NWDGAFQWSA-N 2 0 214.353 1.472 20 0 BDADRP COCCC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000082533705 174229532 /nfs/dbraw/zinc/22/95/32/174229532.db2.gz SAYKNJKVZCVBQO-UHFFFAOYSA-N 2 0 212.337 1.098 20 0 BDADRP COCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000309635783 174250431 /nfs/dbraw/zinc/25/04/31/174250431.db2.gz JKVPXHUFCBPUPH-JHJVBQTASA-N 2 0 226.364 1.485 20 0 BDADRP COCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127769093 174251633 /nfs/dbraw/zinc/25/16/33/174251633.db2.gz BEFOBKPGNYDWAI-NWDGAFQWSA-N 2 0 212.337 1.239 20 0 BDADRP COCC[N@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)C1CC1 ZINC000234699087 174297929 /nfs/dbraw/zinc/29/79/29/174297929.db2.gz MBAKWNSZSLGKAI-NWDGAFQWSA-N 2 0 226.364 1.485 20 0 BDADRP COCCOC[C@H](C)[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000358179070 174363433 /nfs/dbraw/zinc/36/34/33/174363433.db2.gz QXDDADCXFCIXKM-AVGNSLFASA-N 2 0 244.379 1.110 20 0 BDADRP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCN1C ZINC000337516179 174397599 /nfs/dbraw/zinc/39/75/99/174397599.db2.gz LZQZTLQHENGRMN-MELADBBJSA-N 2 0 240.391 1.875 20 0 BDADRP COC[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000336665938 174449114 /nfs/dbraw/zinc/44/91/14/174449114.db2.gz YQCLMJGFBGXHGA-LLVKDONJSA-N 2 0 214.353 1.295 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000300159728 174562243 /nfs/dbraw/zinc/56/22/43/174562243.db2.gz SMWBRUFWSMSDIT-XQQFMLRXSA-N 2 0 228.380 1.909 20 0 BDADRP COc1ccc(CC[NH2+]CCC[NH3+])cc1OC ZINC000034277497 175091549 /nfs/dbraw/zinc/09/15/49/175091549.db2.gz ZLPVHRHKOAFZMH-UHFFFAOYSA-N 2 0 238.331 1.185 20 0 BDADRP COc1cccc(C[NH2+]CCCC[NH+](C)C)n1 ZINC000070093517 175264074 /nfs/dbraw/zinc/26/40/74/175264074.db2.gz UFRBKTQFBYEXLX-UHFFFAOYSA-N 2 0 237.347 1.522 20 0 BDADRP COc1cccc(C[NH2+]CCCC[NH3+])c1 ZINC000037714628 175264235 /nfs/dbraw/zinc/26/42/35/175264235.db2.gz AISNBSACJBUJBC-UHFFFAOYSA-N 2 0 208.305 1.524 20 0 BDADRP COc1cccc(C[NH2+][C@@H](C)CCC[NH3+])c1 ZINC000309481205 175266216 /nfs/dbraw/zinc/26/62/16/175266216.db2.gz VZAKTERYVGHUHV-NSHDSACASA-N 2 0 222.332 1.912 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CCOCC1CC1 ZINC000336686736 175665096 /nfs/dbraw/zinc/66/50/96/175665096.db2.gz LZJXNRZKNRNXSB-JTQLQIEISA-N 2 0 200.326 1.130 20 0 BDADRP C[C@@H]1CCC[C@H]([NH2+]C[C@@]2(O)CCN(C)C2)C1 ZINC000309786562 176144466 /nfs/dbraw/zinc/14/44/66/176144466.db2.gz OFOFRRBAKJGJPX-AGIUHOORSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H]1CC[C@@H](C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)O1 ZINC000336713022 176204437 /nfs/dbraw/zinc/20/44/37/176204437.db2.gz OCHACNPZQKRABO-HZSPNIEDSA-N 2 0 238.375 1.582 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@H](C1CC1)[NH+](C)C ZINC000360417906 176269774 /nfs/dbraw/zinc/26/97/74/176269774.db2.gz VWHCZMKWABGXSK-KWCYVHTRSA-N 3 0 239.407 1.256 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000336781092 176274995 /nfs/dbraw/zinc/27/49/95/176274995.db2.gz TXZZPWSEVLZXQR-NDBYEHHHSA-N 2 0 225.380 1.009 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1cn[nH]c1 ZINC000353653501 176279087 /nfs/dbraw/zinc/27/90/87/176279087.db2.gz CTMGSVVXPOTIMW-WZRBSPASSA-N 2 0 236.363 1.271 20 0 BDADRP C[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000020593522 176287944 /nfs/dbraw/zinc/28/79/44/176287944.db2.gz MOPRGPJPFXJIDQ-LLVKDONJSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CC(C)(C)O1 ZINC000251702649 176294516 /nfs/dbraw/zinc/29/45/16/176294516.db2.gz OEKOXZOGQCYOCW-CHWSQXEVSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1COCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000050952656 176336525 /nfs/dbraw/zinc/33/65/25/176336525.db2.gz JCHWANPHKHJOPX-GFCCVEGCSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000309733763 176340717 /nfs/dbraw/zinc/34/07/17/176340717.db2.gz BUVIQXSGDQZPHM-AGIUHOORSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1C[C@@H](C[N@H+](C)C[C@@H]2CCCN2C)CC[NH2+]1 ZINC000235379312 176367604 /nfs/dbraw/zinc/36/76/04/176367604.db2.gz IAVZSUDDKMXQJI-RDBSUJKOSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@@H]1C[C@@H](C[N@H+](C)[C@@H]2CCSC2)CC[NH2+]1 ZINC000235380317 176367864 /nfs/dbraw/zinc/36/78/64/176367864.db2.gz CDCPFULDZKEZAO-GRYCIOLGSA-N 2 0 228.405 1.812 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCCOCC2)CC[NH2+]1 ZINC000235381126 176368528 /nfs/dbraw/zinc/36/85/28/176368528.db2.gz LABWZZZYTRIHGJ-NEPJUHHUSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@H](O)CCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000045620182 176949560 /nfs/dbraw/zinc/94/95/60/176949560.db2.gz NNRNLTQANSDTBM-LBPRGKRZSA-N 2 0 228.380 1.421 20 0 BDADRP Cc1nc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)co1 ZINC000310345187 487636911 /nfs/dbraw/zinc/63/69/11/487636911.db2.gz PBOSKHDJLDLKSR-LLVKDONJSA-N 2 0 223.320 1.544 20 0 BDADRP C[C@H]1CC[C@H](N2CCC(C[NH+](C)C)CC2)C[NH2+]1 ZINC000062948855 177204161 /nfs/dbraw/zinc/20/41/61/177204161.db2.gz NBSXSYRRANOGET-JSGCOSHPSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1ccc(O)cc1 ZINC000358077750 177233720 /nfs/dbraw/zinc/23/37/20/177233720.db2.gz CAPDZILEYFGOKQ-SWLSCSKDSA-N 2 0 248.370 1.865 20 0 BDADRP C[C@H]1C[N@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000050952304 177248516 /nfs/dbraw/zinc/24/85/16/177248516.db2.gz PMKWMTHLIBIMAP-LBPRGKRZSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@H]1C[N@H+](CCN2CC[NH2+]CC2)C(C)(C)C1 ZINC000335664913 177252041 /nfs/dbraw/zinc/25/20/41/177252041.db2.gz YJQSGKLKLQAZFY-GFCCVEGCSA-N 2 0 225.380 1.012 20 0 BDADRP C[C@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000251661601 177254450 /nfs/dbraw/zinc/25/44/50/177254450.db2.gz GWYJDDLMWLDDIN-NWDGAFQWSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C[C@]2(O)CCN(C)C2)C[C@@H](C)C1 ZINC000358171250 177317994 /nfs/dbraw/zinc/31/79/94/177317994.db2.gz SYUVQBCWJORDRU-ZOBORPQBSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@H]1C[C@H](C[N@H+](C)Cc2ccccn2)CC[NH2+]1 ZINC000235659902 177361065 /nfs/dbraw/zinc/36/10/65/177361065.db2.gz CVVUTSXZVYSSHJ-QWHCGFSZSA-N 2 0 233.359 1.902 20 0 BDADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCC(F)(F)F ZINC000123535975 177361659 /nfs/dbraw/zinc/36/16/59/177361659.db2.gz GSMBCXBVANFBCU-JGVFFNPUSA-N 2 0 210.243 1.608 20 0 BDADRP C[C@H]1C[C@H](C[N@@H+]2CCCOCC2)CC[NH2+]1 ZINC000235661782 177362038 /nfs/dbraw/zinc/36/20/38/177362038.db2.gz LABWZZZYTRIHGJ-NWDGAFQWSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccn(C)c1 ZINC000158511649 177370009 /nfs/dbraw/zinc/37/00/09/177370009.db2.gz ZFCBOZLCYLJTHN-DYEKYZERSA-N 2 0 235.375 1.843 20 0 BDADRP C[C@H](Cn1ccnc1)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000226587415 177371634 /nfs/dbraw/zinc/37/16/34/177371634.db2.gz BUGXNGCBDJHGCD-GRYCIOLGSA-N 2 0 223.320 1.429 20 0 BDADRP COC[C@@]1(C)CC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000487046470 225284032 /nfs/dbraw/zinc/28/40/32/225284032.db2.gz QHQMUAURKRZCIL-KGLIPLIRSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@H]1CN(C)C[C@@H]1[NH2+][C@H](CCO)c1ccccc1 ZINC000484126873 225248250 /nfs/dbraw/zinc/24/82/50/225248250.db2.gz DYASFOYLFCKTAG-CFVMTHIKSA-N 2 0 248.370 1.650 20 0 BDADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H]1CC[C@H](O)CC1 ZINC000493601512 226245612 /nfs/dbraw/zinc/24/56/12/226245612.db2.gz IHTDUQYDWLHYMO-OXHZDVMGSA-N 2 0 238.375 1.362 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCOCC1)[C@H]1CCC[NH2+]1 ZINC000400504549 226344844 /nfs/dbraw/zinc/34/48/44/226344844.db2.gz JODNVDWHUJXBJY-QJPTWQEYSA-N 2 0 212.337 1.286 20 0 BDADRP CO[C@@H]1CC[C@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000400498021 226345096 /nfs/dbraw/zinc/34/50/96/226345096.db2.gz HUFIMZOVQFYRRT-WRWGMCAJSA-N 2 0 212.337 1.284 20 0 BDADRP CSCCCC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400691866 226349475 /nfs/dbraw/zinc/34/94/75/226349475.db2.gz ZGLAJOQXPXEBMJ-GHMZBOCLSA-N 2 0 216.394 1.860 20 0 BDADRP C[C@H](N[C@@H]1CCO[C@@H]1C1CC1)[C@H]1CCC[NH2+]1 ZINC000400748299 226351115 /nfs/dbraw/zinc/35/11/15/226351115.db2.gz UYTZWNWYQXJXSB-WKSBVSIWSA-N 2 0 224.348 1.284 20 0 BDADRP C[C@H](N[C@@H]1CCO[C@H]1C1CC1)[C@H]1CCC[NH2+]1 ZINC000400748295 226351246 /nfs/dbraw/zinc/35/12/46/226351246.db2.gz UYTZWNWYQXJXSB-SQNXGDPESA-N 2 0 224.348 1.284 20 0 BDADRP c1cc(CCC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)ccn1 ZINC000680882714 487663630 /nfs/dbraw/zinc/66/36/30/487663630.db2.gz NCJMMGYMPDSUGC-ZIAGYGMSSA-N 2 0 231.343 1.165 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCCc2cncn2C)C1 ZINC000314980957 487669018 /nfs/dbraw/zinc/66/90/18/487669018.db2.gz XNMSAOJEDQLSFF-NWDGAFQWSA-N 2 0 236.363 1.022 20 0 BDADRP CC1(C)C[C@@H]1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000232927325 487669516 /nfs/dbraw/zinc/66/95/16/487669516.db2.gz HTXQBTXKHZMOEZ-NEPJUHHUSA-N 2 0 226.364 1.079 20 0 BDADRP CO[C@H]1C[C@@H]([N@H+](C)CCC[NH+]2CCCCC2)C1 ZINC000510112501 229293334 /nfs/dbraw/zinc/29/33/34/229293334.db2.gz LLXZZQCGWAGBMI-OKILXGFUSA-N 2 0 240.391 1.972 20 0 BDADRP CCCC1(C[NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000232972661 487678927 /nfs/dbraw/zinc/67/89/27/487678927.db2.gz ACLOCXVPYOBQSN-ZDUSSCGKSA-N 2 0 240.391 1.613 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](Cc2cccnc2)C[C@H]1C[NH3+] ZINC000397358630 262924412 /nfs/dbraw/zinc/92/44/12/262924412.db2.gz FVNFQOYOBFTMDF-MBNYWOFBSA-N 2 0 233.359 1.887 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000082645536 487703905 /nfs/dbraw/zinc/70/39/05/487703905.db2.gz PURVJFXYJLCJNY-XQQFMLRXSA-N 2 0 226.364 1.615 20 0 BDADRP CCC[C@@H](C)[NH2+][C@@H](CCC[NH3+])COC ZINC000233278844 487707095 /nfs/dbraw/zinc/70/70/95/487707095.db2.gz SSCYTBBADGXPEJ-MNOVXSKESA-N 2 0 202.342 1.519 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000384394274 487713347 /nfs/dbraw/zinc/71/33/47/487713347.db2.gz SCNHRSYMXOWVAQ-CHWSQXEVSA-N 2 0 242.407 1.715 20 0 BDADRP CC[N@@H+](C[C@H]1CCCO1)C[C@H]1CC[NH2+]C1 ZINC000249816339 487724479 /nfs/dbraw/zinc/72/44/79/487724479.db2.gz JKPLZCDCHLMLPS-NWDGAFQWSA-N 2 0 212.337 1.097 20 0 BDADRP CC[N@H+](C[C@@H]1CC[NH2+]C1)C[C@H]1CCCO1 ZINC000249816342 487725037 /nfs/dbraw/zinc/72/50/37/487725037.db2.gz JKPLZCDCHLMLPS-VXGBXAGGSA-N 2 0 212.337 1.097 20 0 BDADRP CC[NH2+][C@H](C)CNC[C@@H]([NH3+])CCC(C)(C)C ZINC000904355297 584870572 /nfs/dbraw/zinc/87/05/72/584870572.db2.gz MJWOJYQZLNKLSW-NEPJUHHUSA-N 2 0 229.412 1.728 20 0 BDADRP CC(C)(O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250366628 487730302 /nfs/dbraw/zinc/73/03/02/487730302.db2.gz PATZABMBWIVXPY-VXGBXAGGSA-N 2 0 226.364 1.221 20 0 BDADRP C(CC1CCOCC1)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000681111820 487730819 /nfs/dbraw/zinc/73/08/19/487730819.db2.gz LURCMAFWYSNVNB-KBPBESRZSA-N 2 0 238.375 1.344 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)[C@H](C)O)C[NH+]1CCCC1 ZINC000251153242 487749371 /nfs/dbraw/zinc/74/93/71/487749371.db2.gz YMZQAYTXLQNXTI-WOPDTQHZSA-N 2 0 214.353 1.077 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]CCOCC[NH+](C)C)CCO1 ZINC000233934033 487753039 /nfs/dbraw/zinc/75/30/39/487753039.db2.gz QUUVMAAYDLIMHN-CHWSQXEVSA-N 2 0 244.379 1.112 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1O)C1CC[NH+](C)CC1 ZINC000251439232 487755861 /nfs/dbraw/zinc/75/58/61/487755861.db2.gz APNAUCCACIYWCS-IACUBPJLSA-N 2 0 240.391 1.610 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000649506808 487756748 /nfs/dbraw/zinc/75/67/48/487756748.db2.gz YBPACYVAVNSOBE-KGLIPLIRSA-N 2 0 237.391 1.251 20 0 BDADRP CC[C@@H]1C[N@H+](CCc2cccnc2)CC[C@H]1[NH3+] ZINC000251679202 487788665 /nfs/dbraw/zinc/78/86/65/487788665.db2.gz HVBFUIDPJCYZCG-ZIAGYGMSSA-N 2 0 233.359 1.683 20 0 BDADRP C[NH2+]C1CC[NH+](C[C@H]2CCO[C@H]2C)CC1 ZINC000234346256 487803986 /nfs/dbraw/zinc/80/39/86/487803986.db2.gz AEKWCKDOMFMDRR-WDEREUQCSA-N 2 0 212.337 1.095 20 0 BDADRP C[NH+](C)CCCC1CC[NH+](CCC[NH3+])CC1 ZINC000414698528 487817752 /nfs/dbraw/zinc/81/77/52/487817752.db2.gz CWUTYXXYDYGOGU-UHFFFAOYSA-N 3 0 227.396 1.389 20 0 BDADRP C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000307587419 487819223 /nfs/dbraw/zinc/81/92/23/487819223.db2.gz TXQUJQUDJHWLLK-MMWGEVLESA-N 2 0 214.378 1.740 20 0 BDADRP COCC[N@H+](CCC[NH3+])[C@H]1CCCSC1 ZINC000414757730 487821326 /nfs/dbraw/zinc/82/13/26/487821326.db2.gz BKORGPAPBICPRJ-NSHDSACASA-N 2 0 232.393 1.179 20 0 BDADRP C[C@H]1[C@H](C(F)(F)F)CCC[N@@H+]1CCC[NH3+] ZINC000414757569 487822132 /nfs/dbraw/zinc/82/21/32/487822132.db2.gz LJELVOXNQUQKOQ-DTWKUNHWSA-N 2 0 224.270 1.998 20 0 BDADRP C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@@H+]2CCC[NH3+])C1 ZINC000414757897 487822229 /nfs/dbraw/zinc/82/22/29/487822229.db2.gz UEVGWICEVMTCLN-SYQHCUMBSA-N 2 0 240.391 1.597 20 0 BDADRP CN(CCC[NH3+])C(C)(C)C[NH+]1CCCCCC1 ZINC000414746107 487822360 /nfs/dbraw/zinc/82/23/60/487822360.db2.gz QDVZMBHFRBRSRR-UHFFFAOYSA-N 2 0 241.423 1.922 20 0 BDADRP Cc1ccc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)cn1 ZINC000414835223 487825352 /nfs/dbraw/zinc/82/53/52/487825352.db2.gz ICBFRQUKGFKYJE-ZDUSSCGKSA-N 2 0 233.359 1.869 20 0 BDADRP CC(C)[C@H]([NH3+])CCN(C)C[C@@]1(C)CC[NH2+]C1 ZINC000340707253 487826429 /nfs/dbraw/zinc/82/64/29/487826429.db2.gz INPRDMOHVGVVRP-OLZOCXBDSA-N 2 0 227.396 1.291 20 0 BDADRP C[C@@H]1SCC[N@H+](C[C@H]2CC[NH2+]C2)[C@H]1C ZINC000252682476 487828866 /nfs/dbraw/zinc/82/88/66/487828866.db2.gz CCSVXVCDJIGQOH-DCAQKATOSA-N 2 0 214.378 1.422 20 0 BDADRP C[C@H](c1ccncc1)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252783002 487833397 /nfs/dbraw/zinc/83/33/97/487833397.db2.gz SKNMXKYBBQULEA-DMDPSCGWSA-N 2 0 219.332 1.812 20 0 BDADRP CC[C@H](C)NC(=[NH2+])NCCCC[NH+](C)C ZINC000848989968 588426552 /nfs/dbraw/zinc/42/65/52/588426552.db2.gz OWKRBFYLIYDHLG-JTQLQIEISA-N 2 0 214.357 1.241 20 0 BDADRP CC(C)CNC(=[NH2+])NCC(C)(C)C[NH+](C)C ZINC000052040975 632050650 /nfs/dbraw/zinc/05/06/50/632050650.db2.gz KRJDSKNHIJGPJY-UHFFFAOYSA-N 2 0 228.384 1.344 20 0 BDADRP CC(C)(C)CN(CCO)CC[NH2+]C(C)(C)C ZINC000666639251 487849552 /nfs/dbraw/zinc/84/95/52/487849552.db2.gz RTZIDTZGDFZNHP-UHFFFAOYSA-N 2 0 230.396 1.715 20 0 BDADRP COC[C@H](C)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000167602691 487854161 /nfs/dbraw/zinc/85/41/61/487854161.db2.gz XCXTZMWZWJIXEH-UTUOFQBUSA-N 2 0 214.353 1.186 20 0 BDADRP COC[C@H](C)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000253126519 487855023 /nfs/dbraw/zinc/85/50/23/487855023.db2.gz RLWNKAQYLLBYLB-MGPQQGTHSA-N 2 0 240.391 1.733 20 0 BDADRP Cc1ncc([C@@H](C)[NH2+]CC2CC[NH2+]CC2)c(C)n1 ZINC000566088445 322956640 /nfs/dbraw/zinc/95/66/40/322956640.db2.gz ORENZRPNYRUGNM-SNVBAGLBSA-N 2 0 248.374 1.744 20 0 BDADRP OCCC[N@H+](CCC[NH+]1CCCCC1)C1CC1 ZINC000682028256 487882116 /nfs/dbraw/zinc/88/21/16/487882116.db2.gz BBHXGWKELMSJFA-UHFFFAOYSA-N 2 0 240.391 1.709 20 0 BDADRP C[C@@H](CC1CCC1)[NH2+]CCN1CC[NH2+]CC1 ZINC000666816563 487885915 /nfs/dbraw/zinc/88/59/15/487885915.db2.gz HKOIRIGOLMMNIU-LBPRGKRZSA-N 2 0 225.380 1.060 20 0 BDADRP CC[N@@H+]1CC[C@H](N[C@H]2CCC[NH2+]CC2)[C@@H](C)C1 ZINC000666857762 487891764 /nfs/dbraw/zinc/89/17/64/487891764.db2.gz IIJDIUJFZPQFGC-IHRRRGAJSA-N 2 0 239.407 1.448 20 0 BDADRP COC[C@@]1(C[NH2+][C@@H](C)CC2CCC2)CCC[NH2+]1 ZINC000666891941 487898287 /nfs/dbraw/zinc/89/82/87/487898287.db2.gz PIQSSOYQIUHVLY-JSGCOSHPSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCOc2ccccc21)[C@H](C)[NH3+] ZINC000666930221 487907017 /nfs/dbraw/zinc/90/70/17/487907017.db2.gz ANKQAKYHGFSFDO-QJPTWQEYSA-N 2 0 234.343 1.878 20 0 BDADRP CCOC[C@H](C)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666953551 487915175 /nfs/dbraw/zinc/91/51/75/487915175.db2.gz BBKKSDLRZUVQAJ-QWRGUYRKSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666955475 487917407 /nfs/dbraw/zinc/91/74/07/487917407.db2.gz NPLONZCISCHOMM-UPJWGTAASA-N 3 0 237.391 1.249 20 0 BDADRP C[N@@H+](Cc1ccccc1C1CC1)C[C@@H](O)C[NH3+] ZINC000666988629 487922633 /nfs/dbraw/zinc/92/26/33/487922633.db2.gz BLHPPZRMELTXPV-ZDUSSCGKSA-N 2 0 234.343 1.315 20 0 BDADRP COCC(C)(C)C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666993930 487923475 /nfs/dbraw/zinc/92/34/75/487923475.db2.gz ULVZSXCYPDLUEL-LBPRGKRZSA-N 2 0 240.391 1.923 20 0 BDADRP CC[C@@H](COC)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995318 487925114 /nfs/dbraw/zinc/92/51/14/487925114.db2.gz KBFDSPZHHDZQSL-NWDGAFQWSA-N 2 0 226.364 1.676 20 0 BDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CCCF)C1 ZINC000652363589 487933016 /nfs/dbraw/zinc/93/30/16/487933016.db2.gz IXSXHBLSFDOIML-AGIUHOORSA-N 2 0 244.354 1.707 20 0 BDADRP C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000667040071 487932895 /nfs/dbraw/zinc/93/28/95/487932895.db2.gz BJCRHMOBJOGZQJ-NQBHXWOUSA-N 2 0 249.362 1.030 20 0 BDADRP C[C@H](CC1CCC1)[NH2+]C[C@@H]1CNCCO1 ZINC000667037299 487933240 /nfs/dbraw/zinc/93/32/40/487933240.db2.gz YYQFIPAEQLKOCS-PWSUYJOCSA-N 2 0 212.337 1.143 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CCC[C@@H]2COC[C@@H]21 ZINC000667048413 487933316 /nfs/dbraw/zinc/93/33/16/487933316.db2.gz OZONFXSVBGCVGD-AGIUHOORSA-N 2 0 226.364 1.471 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)O1)C1CC[NH+](C)CC1 ZINC000396445049 487933511 /nfs/dbraw/zinc/93/35/11/487933511.db2.gz OKHZKTFMIOCWPV-YRGRVCCFSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCC[C@H]1O)C1CC[NH+](C)CC1 ZINC000396452000 487933610 /nfs/dbraw/zinc/93/36/10/487933610.db2.gz HJSBNGXIRNZNTA-RAIGVLPGSA-N 2 0 226.364 1.220 20 0 BDADRP CC(C)CCOCC[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000049266393 487944382 /nfs/dbraw/zinc/94/43/82/487944382.db2.gz JHFIHKPHDIKBAV-ZDUSSCGKSA-N 2 0 228.380 1.720 20 0 BDADRP CCC([NH3+])(CC)C[NH2+]C[C@H](C)COC ZINC000560944297 322993594 /nfs/dbraw/zinc/99/35/94/322993594.db2.gz MHULHNDTQPVERE-JTQLQIEISA-N 2 0 202.342 1.376 20 0 BDADRP CC(C)Cn1cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cn1 ZINC000564729855 323011809 /nfs/dbraw/zinc/01/18/09/323011809.db2.gz USPNNLRGNPJSCS-RYUDHWBXSA-N 2 0 238.379 1.755 20 0 BDADRP FC1(C[NH2+]CCC[C@@H]2CCC[NH2+]2)CC1 ZINC000562748023 323029586 /nfs/dbraw/zinc/02/95/86/323029586.db2.gz HGDLYVAIBHEECF-SNVBAGLBSA-N 2 0 200.301 1.610 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CCCCCO)[C@@H](C)C1 ZINC000248745024 323032836 /nfs/dbraw/zinc/03/28/36/323032836.db2.gz NCFYUCDKFQUMNX-STQMWFEESA-N 2 0 228.380 1.469 20 0 BDADRP CC(C)[NH2+]CCC[NH2+][C@H](C)Cn1cccn1 ZINC000562956495 323035156 /nfs/dbraw/zinc/03/51/56/323035156.db2.gz ZUKAXFMWWDBYOQ-GFCCVEGCSA-N 2 0 224.352 1.249 20 0 BDADRP COC(=O)CC1([NH2+]CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000572726006 323037465 /nfs/dbraw/zinc/03/74/65/323037465.db2.gz DPJSGYLWMREFIP-NSHDSACASA-N 2 0 240.347 1.156 20 0 BDADRP COC[C@H](C)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000570092900 323049957 /nfs/dbraw/zinc/04/99/57/323049957.db2.gz AVNRUJDLJLZNEM-OLZOCXBDSA-N 2 0 226.364 1.344 20 0 BDADRP CC(C)CCC[NH+]1CCN(c2ncc[nH]2)CC1 ZINC000570642333 323065680 /nfs/dbraw/zinc/06/56/80/323065680.db2.gz KLSXQWQSQXGUBU-UHFFFAOYSA-N 2 0 236.363 1.968 20 0 BDADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)CSC)C1 ZINC000562984715 323078059 /nfs/dbraw/zinc/07/80/59/323078059.db2.gz FMFLQCHANWEYTF-RYUDHWBXSA-N 2 0 246.420 1.032 20 0 BDADRP CCC[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000390072372 323083356 /nfs/dbraw/zinc/08/33/56/323083356.db2.gz OGTCKSLCNPFMOB-MNOVXSKESA-N 2 0 200.326 1.143 20 0 BDADRP CC[C@@H](C)C[NH2+]CCC[N@H+](C)CCOC ZINC000093061418 323088200 /nfs/dbraw/zinc/08/82/00/323088200.db2.gz DZMBBGUYTLNOMW-GFCCVEGCSA-N 2 0 216.369 1.590 20 0 BDADRP C[C@H](O)C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000570955660 323093013 /nfs/dbraw/zinc/09/30/13/323093013.db2.gz FSCQINFKQRZUQM-UNXYVOJBSA-N 2 0 214.353 1.077 20 0 BDADRP CC[C@H](NCc1ccc(C[NH3+])cc1)[C@@H]1CCC[NH2+]1 ZINC000563154148 323095699 /nfs/dbraw/zinc/09/56/99/323095699.db2.gz OXKPGVUSDWCNIV-GJZGRUSLSA-N 2 0 247.386 1.766 20 0 BDADRP C[C@@H]1C[NH2+]CCN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000563270199 323107151 /nfs/dbraw/zinc/10/71/51/323107151.db2.gz WGCRCSHSSOPDCY-GFCCVEGCSA-N 2 0 245.370 1.126 20 0 BDADRP CC(C)OCC[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397392265 323108154 /nfs/dbraw/zinc/10/81/54/323108154.db2.gz NZGPOMKLSBCKGI-AVGNSLFASA-N 2 0 228.380 1.717 20 0 BDADRP C[C@H](CC[NH3+])[NH2+]Cc1cnc(C2CC2)s1 ZINC000563415422 323123513 /nfs/dbraw/zinc/12/35/13/323123513.db2.gz XOTUJVORJZDTQC-MRVPVSSYSA-N 2 0 225.361 1.847 20 0 BDADRP CC[NH+](CC)CCOCC[NH2+]CC1(C)CC1 ZINC000309990374 323124687 /nfs/dbraw/zinc/12/46/87/323124687.db2.gz ZYKGCNRFUFPLAP-UHFFFAOYSA-N 2 0 228.380 1.735 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000563424786 323126029 /nfs/dbraw/zinc/12/60/29/323126029.db2.gz NLTIDMDKVCEWHS-GRYCIOLGSA-N 2 0 213.369 1.363 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C1 ZINC000571225897 323138733 /nfs/dbraw/zinc/13/87/33/323138733.db2.gz DTNCPASGLWPPQV-OLZOCXBDSA-N 3 0 244.342 1.694 20 0 BDADRP COC[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000518804722 323142655 /nfs/dbraw/zinc/14/26/55/323142655.db2.gz ZSSWHAYWHIDGKH-NSHDSACASA-N 2 0 202.342 1.152 20 0 BDADRP CC[NH2+]CCCN[C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000571394684 323143346 /nfs/dbraw/zinc/14/33/46/323143346.db2.gz ANSKQUVVIYXWGQ-UKRRQHHQSA-N 2 0 249.402 1.534 20 0 BDADRP Cc1cnc(CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)nc1 ZINC000571418744 323144475 /nfs/dbraw/zinc/14/44/75/323144475.db2.gz YYRSEDXDRJNBTK-NEPJUHHUSA-N 2 0 234.347 1.187 20 0 BDADRP C[C@H](C[NH3+])C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000571551647 323148179 /nfs/dbraw/zinc/14/81/79/323148179.db2.gz RHFXEINZTNATGV-DGCLKSJQSA-N 2 0 249.358 1.178 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)NCC1([NH3+])CCCCC1 ZINC000414842387 323151616 /nfs/dbraw/zinc/15/16/16/323151616.db2.gz MMWFODIHATUYDK-CHWSQXEVSA-N 2 0 239.407 1.768 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)NCC1([NH3+])CCCCC1 ZINC000414842388 323151672 /nfs/dbraw/zinc/15/16/72/323151672.db2.gz MMWFODIHATUYDK-OLZOCXBDSA-N 2 0 239.407 1.768 20 0 BDADRP Cc1nc(CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)c(C)o1 ZINC000563735406 323176700 /nfs/dbraw/zinc/17/67/00/323176700.db2.gz ZOICIYVHKOPNGB-RYUDHWBXSA-N 2 0 237.347 1.693 20 0 BDADRP CC(C)[NH+](CCCNC(=O)[C@H](C)C[NH3+])C(C)C ZINC000563808733 323178559 /nfs/dbraw/zinc/17/85/59/323178559.db2.gz NYFYHNYAPZIXEU-GFCCVEGCSA-N 2 0 243.395 1.206 20 0 BDADRP C[C@H](O)C[C@H](C)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000398564312 323186655 /nfs/dbraw/zinc/18/66/55/323186655.db2.gz NGNURYYVFSOICH-ZDEQEGDKSA-N 2 0 228.380 1.514 20 0 BDADRP COCCCCC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000395097693 323187006 /nfs/dbraw/zinc/18/70/06/323187006.db2.gz DEVKSNYPDQHABM-QWHCGFSZSA-N 2 0 228.380 1.923 20 0 BDADRP CC1(C)CC(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000530220366 323217872 /nfs/dbraw/zinc/21/78/72/323217872.db2.gz UEVCGKKOEAYMLD-TXEJJXNPSA-N 2 0 208.349 1.574 20 0 BDADRP CCOC(=O)CCCCC[N@H+](C)C1CC([NH3+])C1 ZINC000395395432 323225652 /nfs/dbraw/zinc/22/56/52/323225652.db2.gz WDLJALUVZJDTBZ-UHFFFAOYSA-N 2 0 242.363 1.531 20 0 BDADRP C[C@@H]1CC[N@H+](CCN[C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000532531146 323274427 /nfs/dbraw/zinc/27/44/27/323274427.db2.gz SBQRJQNMRXEMOI-HZSPNIEDSA-N 2 0 239.407 1.258 20 0 BDADRP C[C@@H]1[C@@H]([NH2+][C@H]2COC(C)(C)C2)CCCN1C ZINC000418015222 323313725 /nfs/dbraw/zinc/31/37/25/323313725.db2.gz YSBFYPOBNCXZSO-UTUOFQBUSA-N 2 0 226.364 1.626 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@H]3CCC[C@H]32)CC[NH2+]1 ZINC000300140645 323365822 /nfs/dbraw/zinc/36/58/22/323365822.db2.gz NFLYSROMDVKDLP-SYQHCUMBSA-N 2 0 238.375 1.628 20 0 BDADRP CCO[C@@H]1C[N@H+](C[C@H](C)C(C)(C)C)C[C@H]1C[NH3+] ZINC000405865515 487961154 /nfs/dbraw/zinc/96/11/54/487961154.db2.gz PGEUASZDAUBGGH-YNEHKIRRSA-N 2 0 242.407 1.964 20 0 BDADRP CC[C@H](COC)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000122601545 324050218 /nfs/dbraw/zinc/05/02/18/324050218.db2.gz JKSPJOMOMDJICK-AGIUHOORSA-N 2 0 228.380 1.874 20 0 BDADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)C(C)C ZINC000122791319 324058520 /nfs/dbraw/zinc/05/85/20/324058520.db2.gz YFMGKBDCDZWMOL-CHWSQXEVSA-N 2 0 230.396 1.977 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])CCOC1 ZINC000397223506 324113213 /nfs/dbraw/zinc/11/32/13/324113213.db2.gz LUGROXMSQLXNFD-QJPTWQEYSA-N 2 0 212.337 1.130 20 0 BDADRP C[C@H](N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1CCC[NH2+]1 ZINC000530215870 324531111 /nfs/dbraw/zinc/53/11/11/324531111.db2.gz JVIIZJCKGIEKLG-SDDRHHMPSA-N 2 0 223.364 1.001 20 0 BDADRP COc1ccc(CC[NH2+]C[C@]2(C)CC[NH2+]C2)cn1 ZINC000530243308 324554431 /nfs/dbraw/zinc/55/44/31/324554431.db2.gz HGSXYOYPLAZNTK-AWEZNQCLSA-N 2 0 249.358 1.222 20 0 BDADRP CC[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000126350511 324693447 /nfs/dbraw/zinc/69/34/47/324693447.db2.gz JEFBUAAHNVGYDD-ZIAGYGMSSA-N 2 0 240.391 1.733 20 0 BDADRP CCC(CC)CN(CC[NH+](C)C)CC[NH+](C)C ZINC000564315305 325334778 /nfs/dbraw/zinc/33/47/78/325334778.db2.gz OBYLGPHVWOXTFT-UHFFFAOYSA-N 2 0 243.439 1.848 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000158613888 487969145 /nfs/dbraw/zinc/96/91/45/487969145.db2.gz QQABFKAWRLVJCR-IJLUTSLNSA-N 2 0 214.353 1.374 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000564827783 325813530 /nfs/dbraw/zinc/81/35/30/325813530.db2.gz FUWATPUAUYMOJJ-IGQOVBAYSA-N 3 0 237.391 1.092 20 0 BDADRP C[C@@H]1CC([NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)C[C@@H](C)O1 ZINC000566090652 325992885 /nfs/dbraw/zinc/99/28/85/325992885.db2.gz HHKCRRHXFFXRJQ-FMCLSXCISA-N 2 0 240.391 1.920 20 0 BDADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC000566244665 326022805 /nfs/dbraw/zinc/02/28/05/326022805.db2.gz NPWUPEHQDXRDII-GFCCVEGCSA-N 3 0 225.380 1.060 20 0 BDADRP C(C[N@H+](C1CC1)C1CCCC1)N1CC[NH2+]CC1 ZINC000566246054 326022898 /nfs/dbraw/zinc/02/28/98/326022898.db2.gz BPSPQIJUSLLJGW-UHFFFAOYSA-N 2 0 237.391 1.299 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)[C@H](O)C(C)C ZINC000566482369 326055781 /nfs/dbraw/zinc/05/57/81/326055781.db2.gz NCOJRXVXRLZUGT-QNWHQSFQSA-N 2 0 228.380 1.641 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)CCC[NH3+])cc1 ZINC000566620900 326069027 /nfs/dbraw/zinc/06/90/27/326069027.db2.gz GMCFTGAHLVCHLN-UHFFFAOYSA-N 2 0 221.304 1.083 20 0 BDADRP CC(C)[N@@H+](C)C[C@H](C)N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000566648781 326071314 /nfs/dbraw/zinc/07/13/14/326071314.db2.gz CVCSRHHNYLDSAL-MELADBBJSA-N 2 0 241.423 1.787 20 0 BDADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000566974496 326098330 /nfs/dbraw/zinc/09/83/30/326098330.db2.gz XNLITMPBEPYYEI-GAFUQQFSSA-N 2 0 249.358 1.677 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@](C)(O)C1 ZINC000154412183 326143161 /nfs/dbraw/zinc/14/31/61/326143161.db2.gz GOHGRIBFTPUJTC-QWHCGFSZSA-N 2 0 226.364 1.318 20 0 BDADRP [NH3+]C[C@H]1C[N@H+](CC2(F)CC2)CC12CCOCC2 ZINC000567588629 326224046 /nfs/dbraw/zinc/22/40/46/326224046.db2.gz CXOVQRGKPAGKDC-NSHDSACASA-N 2 0 242.338 1.176 20 0 BDADRP CC[NH2+]CCC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000567638860 326236280 /nfs/dbraw/zinc/23/62/80/326236280.db2.gz NXVHFWZSWZKWCC-MNOVXSKESA-N 2 0 200.326 1.143 20 0 BDADRP CC[NH+]1CCC(CC[NH2+]CC2(O)CCC2)CC1 ZINC000567689794 326245688 /nfs/dbraw/zinc/24/56/88/326245688.db2.gz RCCNUDXJJODVMY-UHFFFAOYSA-N 2 0 240.391 1.613 20 0 BDADRP CC(C)(C)[N@@H+]1CCCN(CCC[NH3+])CC1 ZINC000567710017 326249508 /nfs/dbraw/zinc/24/95/08/326249508.db2.gz BCTPAYNOUIBPNU-UHFFFAOYSA-N 2 0 213.369 1.141 20 0 BDADRP CCc1cnc(CN2C[C@@H](C[NH3+])C[C@H]2C)o1 ZINC000567739564 326253694 /nfs/dbraw/zinc/25/36/94/326253694.db2.gz VLVOUMGZPUJLNS-NXEZZACHSA-N 2 0 223.320 1.406 20 0 BDADRP COCC1(CC[NH2+][C@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000567893665 326278464 /nfs/dbraw/zinc/27/84/64/326278464.db2.gz ICHCRAQDWZEUKX-OLZOCXBDSA-N 2 0 240.391 1.781 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)C[C@H](C)C1 ZINC000568165558 326317780 /nfs/dbraw/zinc/31/77/80/326317780.db2.gz QOJHBSWHKQPYDM-IHRRRGAJSA-N 2 0 242.407 1.667 20 0 BDADRP Cc1cnc(CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000568248444 326334325 /nfs/dbraw/zinc/33/43/25/326334325.db2.gz QQJKUNQMSSJJMN-VXGBXAGGSA-N 2 0 234.347 1.187 20 0 BDADRP Cc1ncc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1C ZINC000568272911 326338873 /nfs/dbraw/zinc/33/88/73/326338873.db2.gz CUFHVGCWOGMHCB-YHWZYXNKSA-N 2 0 248.374 1.443 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)[C@@H]2CC[NH2+][C@@H]2C)c1 ZINC000568864493 326379939 /nfs/dbraw/zinc/37/99/39/326379939.db2.gz BGOBVPDEHHFTDY-ZWNOBZJWSA-N 2 0 247.342 1.390 20 0 BDADRP C[C@@H](NC[C@H]1CCC[N@H+](C)C1)[C@H]1CCC[NH2+]1 ZINC000568868819 326380175 /nfs/dbraw/zinc/38/01/75/326380175.db2.gz PUUMMYRAYGFCPT-JHJVBQTASA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CCOCC1CCC1 ZINC000569106275 326390432 /nfs/dbraw/zinc/39/04/32/326390432.db2.gz RCKLEMHCILQPTL-NSHDSACASA-N 2 0 214.353 1.520 20 0 BDADRP CC[N@@H+]1CCN(c2ccnc(C)n2)C[C@H]1C ZINC000677152982 487984273 /nfs/dbraw/zinc/98/42/73/487984273.db2.gz LIVIWFZLSYXKEC-SNVBAGLBSA-N 2 0 220.320 1.315 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC3CCC3)C[C@H]21 ZINC000228477318 488009279 /nfs/dbraw/zinc/00/92/79/488009279.db2.gz OPEVDMBEINCADF-JHJVBQTASA-N 2 0 208.349 1.846 20 0 BDADRP CC(C)OC(=O)CC[C@@H](C)[NH2+]CCC[NH+](C)C ZINC001172742809 974919665 /nfs/dbraw/zinc/91/96/65/974919665.db2.gz UMSDJQSOLQQSBR-GFCCVEGCSA-N 2 0 244.379 1.648 20 0 BDADRP CC[C@@H](O)C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000229967156 488015607 /nfs/dbraw/zinc/01/56/07/488015607.db2.gz NIPJNDAIYSSCEH-OASPWFOLSA-N 2 0 220.316 1.492 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000488336810 533716541 /nfs/dbraw/zinc/71/65/41/533716541.db2.gz IGQRTXLQWODLEP-CHWSQXEVSA-N 2 0 240.391 1.685 20 0 BDADRP FC(F)(F)CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401061659 488024975 /nfs/dbraw/zinc/02/49/75/488024975.db2.gz JNWGMJYCIHYDRH-IVZWLZJFSA-N 2 0 236.281 1.917 20 0 BDADRP c1nc2n(c1C[NH+]1C3CCC1CC3)CCC2 ZINC000667492978 488025088 /nfs/dbraw/zinc/02/50/88/488025088.db2.gz CWLCNGIYDXUNAI-UHFFFAOYSA-N 2 0 217.316 1.956 20 0 BDADRP Cc1ncc(C[NH+]2C3CCC2CC3)n1C ZINC000667493591 488025241 /nfs/dbraw/zinc/02/52/41/488025241.db2.gz XQMJCICFDYYPMT-UHFFFAOYSA-N 2 0 205.305 1.855 20 0 BDADRP C[NH+](C)Cc1cccc(NC(=O)CC(C)(C)[NH3+])c1 ZINC000084166478 488031215 /nfs/dbraw/zinc/03/12/15/488031215.db2.gz ZSJIJFDONDLSCD-UHFFFAOYSA-N 2 0 249.358 1.814 20 0 BDADRP C(C[N@@H+]1CCO[C@@H]2CCC[C@@H]21)[C@@H]1CC[NH2+]C1 ZINC000084385512 488049858 /nfs/dbraw/zinc/04/98/58/488049858.db2.gz HVSZJRVVXBQCTK-RWMBFGLXSA-N 2 0 224.348 1.239 20 0 BDADRP Cc1cnc(CC[NH2+][C@@H](C)C2C[NH2+]C2)c(C)c1 ZINC000656200691 488066357 /nfs/dbraw/zinc/06/63/57/488066357.db2.gz PTLPLCFSHIOKQJ-LBPRGKRZSA-N 2 0 233.359 1.438 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)[C@H]1CCCCO1 ZINC000656200609 488066807 /nfs/dbraw/zinc/06/68/07/488066807.db2.gz BBTUVTADGSHAGN-WCFLWFBJSA-N 2 0 226.364 1.532 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2COC(C)(C)C2)C1 ZINC000656269420 488073775 /nfs/dbraw/zinc/07/37/75/488073775.db2.gz QETJGXBDHKOIBN-SDDRHHMPSA-N 2 0 226.364 1.484 20 0 BDADRP C([C@H]1CCOC1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257651313 488074918 /nfs/dbraw/zinc/07/49/18/488074918.db2.gz DIZMWEKKWPSAKQ-CHWSQXEVSA-N 2 0 224.348 1.098 20 0 BDADRP [NH3+]C1(CC(=O)NCC2([NH3+])CCCCC2)CCC1 ZINC000669508417 488109119 /nfs/dbraw/zinc/10/91/19/488109119.db2.gz VOSDJFCASOGIGS-UHFFFAOYSA-N 2 0 239.363 1.036 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)CC(C)(C)[NH3+])cc1 ZINC000669512348 488117874 /nfs/dbraw/zinc/11/78/74/488117874.db2.gz GCHATKZEDKPGEB-VIFPVBQESA-N 2 0 235.331 1.772 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000403256605 488119209 /nfs/dbraw/zinc/11/92/09/488119209.db2.gz WIVICTCFFSCFKT-ZOBORPQBSA-N 2 0 222.376 1.964 20 0 BDADRP CC[NH+](CC)CCCNC(=O)[C@@H]([NH3+])CC(C)C ZINC000019440496 488119838 /nfs/dbraw/zinc/11/98/38/488119838.db2.gz FWEYGIOIUAXPGR-LBPRGKRZSA-N 2 0 243.395 1.208 20 0 BDADRP CC[NH+](CC)CCCNC(=O)CCC(C)(C)[NH3+] ZINC000070086520 487537591 /nfs/dbraw/zinc/53/75/91/487537591.db2.gz SWHGEIFTRUEPBQ-UHFFFAOYSA-N 2 0 243.395 1.352 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000667819319 488127396 /nfs/dbraw/zinc/12/73/96/488127396.db2.gz TXAAKVZIUQLUAG-OLZOCXBDSA-N 2 0 226.364 1.485 20 0 BDADRP CCCN(CC[NH+](C)C)C(=O)CCC(C)(C)[NH3+] ZINC000070088328 487549244 /nfs/dbraw/zinc/54/92/44/487549244.db2.gz VXBMZXMZEVWFBO-UHFFFAOYSA-N 2 0 243.395 1.304 20 0 BDADRP C[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCCOC2)C1 ZINC000674301992 487553942 /nfs/dbraw/zinc/55/39/42/487553942.db2.gz IJIWRWVVPXPNIV-VXGBXAGGSA-N 2 0 212.337 1.049 20 0 BDADRP C[NH+](C)CCC[C@@H]1C[N@H+](CC2(C)CC2)CCO1 ZINC000668785833 487531486 /nfs/dbraw/zinc/53/14/86/487531486.db2.gz YYKNCRCUNXFINU-CYBMUJFWSA-N 2 0 240.391 1.829 20 0 BDADRP CCN(CC[NH3+])Cc1ccc2c(c1)CCO2 ZINC000231819477 487477773 /nfs/dbraw/zinc/47/77/73/487477773.db2.gz FZIKGMKUKZKLPW-UHFFFAOYSA-N 2 0 220.316 1.402 20 0 BDADRP [NH3+]Cc1ccc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000295017701 487478323 /nfs/dbraw/zinc/47/83/23/487478323.db2.gz MUTNQJBMZUXYCS-OLZOCXBDSA-N 2 0 247.342 1.145 20 0 BDADRP CC[C@H](C)[N@H+](CC)C[C@H](O)C[NH+](C)C(C)C ZINC000380976009 487492101 /nfs/dbraw/zinc/49/21/01/487492101.db2.gz BLDUSYGWDFCFBR-QWHCGFSZSA-N 2 0 230.396 1.808 20 0 BDADRP CC[N@H+](C)[C@H](C(=O)NC[C@H](C)[NH3+])c1ccccc1 ZINC000249107087 487494849 /nfs/dbraw/zinc/49/48/49/487494849.db2.gz PTGKDDNSPMURSY-AAEUAGOBSA-N 2 0 249.358 1.143 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@H]1C ZINC000381084280 487495638 /nfs/dbraw/zinc/49/56/38/487495638.db2.gz SGQJPHXDTOHHRY-UPJWGTAASA-N 2 0 228.380 1.418 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C2CC2)C1 ZINC000399987809 487498769 /nfs/dbraw/zinc/49/87/69/487498769.db2.gz CYNUDQSWNUAYJE-KGLIPLIRSA-N 2 0 240.391 1.419 20 0 BDADRP [NH3+]C1CCC([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000086403954 487500900 /nfs/dbraw/zinc/50/09/00/487500900.db2.gz WFTRKAJWDIZBGF-RUJICJSRSA-N 3 0 211.353 1.116 20 0 BDADRP CC(C)[C@@H]([NH3+])C(=O)Nc1cccc(C[NH3+])c1 ZINC000169813676 487508151 /nfs/dbraw/zinc/50/81/51/487508151.db2.gz QYZHFMZUSSGGDL-LLVKDONJSA-N 2 0 221.304 1.067 20 0 BDADRP CC(C)[C@H]([NH3+])C(=O)Nc1cccc(C[NH3+])c1 ZINC000169813678 487508350 /nfs/dbraw/zinc/50/83/50/487508350.db2.gz QYZHFMZUSSGGDL-NSHDSACASA-N 2 0 221.304 1.067 20 0 BDADRP CO[C@H](C[N@@H+]1CCC[C@@H](CC[NH3+])C1)C1CCC1 ZINC000662271741 487518871 /nfs/dbraw/zinc/51/88/71/487518871.db2.gz ISJAJKYTCUGDNY-GXTWGEPZSA-N 2 0 240.391 1.862 20 0 BDADRP CO[C@@H](C[N@H+](C)C1CC([NH3+])C1)C1CCCC1 ZINC000662274097 487522828 /nfs/dbraw/zinc/52/28/28/487522828.db2.gz RDXXGCKBTJPPFD-BPCQOVAHSA-N 2 0 226.364 1.613 20 0 BDADRP COc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000666950800 487890631 /nfs/dbraw/zinc/89/06/31/487890631.db2.gz IQIOGNFPTCBBSG-CQSZACIVSA-N 2 0 246.354 1.927 20 0 BDADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000652352700 487930192 /nfs/dbraw/zinc/93/01/92/487930192.db2.gz OMKFGLOOCFUIRU-IHRRRGAJSA-N 3 0 237.391 1.047 20 0 BDADRP C[C@@H](C(=O)N(C)CCC[NH3+])[NH+]1CCCCCC1 ZINC000158749596 487974351 /nfs/dbraw/zinc/97/43/51/487974351.db2.gz GNIJWHDDALCYGU-LBPRGKRZSA-N 2 0 241.379 1.058 20 0 BDADRP C[NH+](C)[C@@H]1CCC[N@@H+]([C@@H]2CCCOC2)CC1 ZINC000683228092 488134977 /nfs/dbraw/zinc/13/49/77/488134977.db2.gz SMXQBZSNOLNVNJ-CHWSQXEVSA-N 2 0 226.364 1.582 20 0 BDADRP Cc1nnsc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000390237886 488141811 /nfs/dbraw/zinc/14/18/11/488141811.db2.gz GOLUBGJDGGKWJM-JTQLQIEISA-N 2 0 240.376 1.407 20 0 BDADRP Cn1nccc1CC[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000230774822 488157033 /nfs/dbraw/zinc/15/70/33/488157033.db2.gz RNVZSZKFYUSAIY-LBPRGKRZSA-N 2 0 236.363 1.023 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)[C@H]1C[C@H]1C ZINC000321909996 488160969 /nfs/dbraw/zinc/16/09/69/488160969.db2.gz PIEUEAFCFHKPSG-NDBYEHHHSA-N 2 0 210.365 1.962 20 0 BDADRP C(CN1CCCC1)[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000667927991 488161264 /nfs/dbraw/zinc/16/12/64/488161264.db2.gz MKKJKIWYVYHODM-CHWSQXEVSA-N 2 0 224.348 1.239 20 0 BDADRP CC(C)CC[N@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000390672046 488172958 /nfs/dbraw/zinc/17/29/58/488172958.db2.gz VSSQQKZMEPAZKE-ZDUSSCGKSA-N 2 0 230.396 1.665 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@H](C)CC[C@H]1C ZINC000380145002 488175462 /nfs/dbraw/zinc/17/54/62/488175462.db2.gz HDYLLEYHSVZEBB-MGPQQGTHSA-N 2 0 242.407 1.808 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+](CCO)CC(C)(C)C ZINC000678075771 488192265 /nfs/dbraw/zinc/19/22/65/488192265.db2.gz HLWOPTUNIIWOFG-ZDUSSCGKSA-N 2 0 242.407 1.811 20 0 BDADRP CC[N@@H+]1CCN(CC[C@H]2CCC[NH+]2C)C[C@@H]1C ZINC000678081882 488193451 /nfs/dbraw/zinc/19/34/51/488193451.db2.gz GDVPCYAIGKKEQS-UONOGXRCSA-N 2 0 239.407 1.497 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000668740864 488193667 /nfs/dbraw/zinc/19/36/67/488193667.db2.gz XWLZABWWCNOEGI-BZPMIXESSA-N 2 0 238.375 1.173 20 0 BDADRP CCC(CC)(C[NH3+])C(=O)NC1CCC([NH3+])CC1 ZINC000137781258 488195340 /nfs/dbraw/zinc/19/53/40/488195340.db2.gz HQIRIWUHZPRQDV-UHFFFAOYSA-N 2 0 241.379 1.138 20 0 BDADRP COCCOc1ccc(C[NH2+]CCC[NH3+])cc1 ZINC000437801526 488208109 /nfs/dbraw/zinc/20/81/09/488208109.db2.gz YZUUZFVFWXSXBQ-UHFFFAOYSA-N 2 0 238.331 1.150 20 0 BDADRP CC[N@@H+]1CC[C@H](N(C)Cc2cn[nH]c2)[C@@H](C)C1 ZINC000678277342 488235699 /nfs/dbraw/zinc/23/56/99/488235699.db2.gz ISXGJULTYVGMTC-AAEUAGOBSA-N 2 0 236.363 1.572 20 0 BDADRP c1cc2cccc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)c2[nH]1 ZINC000678342924 488243368 /nfs/dbraw/zinc/24/33/68/488243368.db2.gz HQCHLYCVBBIYAQ-ZIAGYGMSSA-N 2 0 241.338 1.819 20 0 BDADRP CCOCCC[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000049709341 488315887 /nfs/dbraw/zinc/31/58/87/488315887.db2.gz TVJQODNBKXKMBG-QWRGUYRKSA-N 2 0 200.326 1.225 20 0 BDADRP Cc1cnn(CC[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000335011260 490102858 /nfs/dbraw/zinc/10/28/58/490102858.db2.gz WNDLAVSWGZGYPZ-AWEZNQCLSA-N 2 0 248.374 1.267 20 0 BDADRP CC[NH+](CC)[C@H]1CCN(C[C@H]([NH3+])CC(C)C)C1 ZINC000110370702 490105825 /nfs/dbraw/zinc/10/58/25/490105825.db2.gz UGBODMRROPPQCI-KGLIPLIRSA-N 2 0 241.423 1.776 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C2CC=CC2)CN1C1CC1 ZINC000122097937 490125987 /nfs/dbraw/zinc/12/59/87/490125987.db2.gz DGWFJLXHQRBOGA-CMPLNLGQSA-N 2 0 206.333 1.920 20 0 BDADRP CO[C@H]1CCC[C@H]([NH2+]CCC[NH+](C)C)C1 ZINC000069847040 490190098 /nfs/dbraw/zinc/19/00/98/490190098.db2.gz PHDNQOFYJAQKLQ-RYUDHWBXSA-N 2 0 214.353 1.485 20 0 BDADRP CC[C@H]1C[N@H+](Cc2nc(C)ccc2O)CC[C@H]1[NH3+] ZINC000251666052 490258508 /nfs/dbraw/zinc/25/85/08/490258508.db2.gz HGQFXWREEWDAME-NWDGAFQWSA-N 2 0 249.358 1.655 20 0 BDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C[C@H]1C[C@@H]1C ZINC000668475180 490273652 /nfs/dbraw/zinc/27/36/52/490273652.db2.gz NGGMQTMJEHTXDH-MELADBBJSA-N 2 0 241.423 1.504 20 0 BDADRP Cc1ncc(CN2CCOCC23CCCC3)n1C ZINC000667687888 490298640 /nfs/dbraw/zinc/29/86/40/490298640.db2.gz ZWMFTKIBOQGRKD-UHFFFAOYSA-N 2 0 249.358 1.874 20 0 BDADRP Cc1cc(C)cc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)c1 ZINC000313362371 490304050 /nfs/dbraw/zinc/30/40/50/490304050.db2.gz VGQNKWMUJLVUGW-OAHLLOKOSA-N 2 0 248.370 1.853 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H](C)c2ccccn2)C1 ZINC000226537179 490522653 /nfs/dbraw/zinc/52/26/53/490522653.db2.gz JEGXPSBYVOLSBK-SRVKXCTJSA-N 2 0 219.332 1.812 20 0 BDADRP C[C@@H]([NH2+]CC1(N(C)C)CC1)C1CC[NH+](C)CC1 ZINC000397822088 490539951 /nfs/dbraw/zinc/53/99/51/490539951.db2.gz KIELBOMXQCPDKP-GFCCVEGCSA-N 3 0 239.407 1.401 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000300415845 490560113 /nfs/dbraw/zinc/56/01/13/490560113.db2.gz ZTPVHBCJEQHNKI-MBNYWOFBSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCCN(C)C1)C1CCOCC1 ZINC000222589016 490647429 /nfs/dbraw/zinc/64/74/29/490647429.db2.gz CSKMSACLJVKNQS-YPMHNXCESA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H](CO)CCC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000222586763 490648121 /nfs/dbraw/zinc/64/81/21/490648121.db2.gz AFWOLWRVEZNWDC-CHWSQXEVSA-N 2 0 242.407 1.715 20 0 BDADRP Cc1cccc(CC[NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)n1 ZINC000415110868 491092656 /nfs/dbraw/zinc/09/26/56/491092656.db2.gz SYRFFYZOXKCUBM-UONOGXRCSA-N 2 0 247.386 1.910 20 0 BDADRP C[C@@H](CO)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000120640801 491099852 /nfs/dbraw/zinc/09/98/52/491099852.db2.gz UDJWRWZQWVVYKH-CYBMUJFWSA-N 2 0 240.391 1.423 20 0 BDADRP CC/C=C\C[NH2+][C@@H](CCC[NH3+])COC ZINC000394976878 491122870 /nfs/dbraw/zinc/12/28/70/491122870.db2.gz ULYUOSOYVXDYSM-WYGGZMRJSA-N 2 0 200.326 1.296 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H](COC)C2CC2)CC1 ZINC000126465952 491131934 /nfs/dbraw/zinc/13/19/34/491131934.db2.gz WTJVUJLCAGRJBS-AWEZNQCLSA-N 2 0 240.391 1.733 20 0 BDADRP CO[C@H](C)CC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000309429587 491149147 /nfs/dbraw/zinc/14/91/47/491149147.db2.gz FWYZLTUHHLXBFR-NEPJUHHUSA-N 2 0 228.380 1.731 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H](C)[C@H](C)CO)CC1 ZINC000134124579 491162119 /nfs/dbraw/zinc/16/21/19/491162119.db2.gz REPZFRKHRZCECR-VXGBXAGGSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@@]1(C)CCCO1 ZINC000428221557 533837979 /nfs/dbraw/zinc/83/79/79/533837979.db2.gz KWHKMRCUKQXRKB-GXTWGEPZSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]([NH2+]CCC1CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000400721300 533842412 /nfs/dbraw/zinc/84/24/12/533842412.db2.gz OMHPBKWBSBAISD-AAEUAGOBSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H](NCC[N@H+](C)C1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000400754894 533855542 /nfs/dbraw/zinc/85/55/42/533855542.db2.gz WRNTZSLFVBYTOQ-JSGCOSHPSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC[C@H]2CCOC2)CC[N@@H+]1C ZINC000400587362 533946997 /nfs/dbraw/zinc/94/69/97/533946997.db2.gz NWUJHAHOJSJWDS-HZSPNIEDSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)(C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000226067661 534650872 /nfs/dbraw/zinc/65/08/72/534650872.db2.gz OWIFFZGPMKJYDD-FRRDWIJNSA-N 2 0 242.407 1.891 20 0 BDADRP CC[N@@H+]1CC[C@H](CN[C@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000400718400 527814589 /nfs/dbraw/zinc/81/45/89/527814589.db2.gz NSQCTRMRPMOITA-UPJWGTAASA-N 2 0 225.380 1.058 20 0 BDADRP CC[NH+](CC)CCCN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400478464 528112398 /nfs/dbraw/zinc/11/23/98/528112398.db2.gz VQEZNDQLPCBQDM-STQMWFEESA-N 2 0 227.396 1.448 20 0 BDADRP CCC[NH2+]CC[NH2+]CC[C@H]1CCOC1 ZINC000401330448 528508767 /nfs/dbraw/zinc/50/87/67/528508767.db2.gz DDIDWUYGXHBOCC-NSHDSACASA-N 2 0 200.326 1.002 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000494526175 528925148 /nfs/dbraw/zinc/92/51/48/528925148.db2.gz ABKDARDOQFJJDD-LLVKDONJSA-N 2 0 241.379 1.152 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000494540434 528934141 /nfs/dbraw/zinc/93/41/41/528934141.db2.gz CSXBKIQRGWNJRT-VXGBXAGGSA-N 2 0 241.379 1.152 20 0 BDADRP CC[NH+]1CCC([NH2+]CCC[C@@H]2CCOC2)CC1 ZINC000400566070 528986635 /nfs/dbraw/zinc/98/66/35/528986635.db2.gz AYXXRGIYZQTPDO-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP CC(C)[C@H](CO)[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000251310819 535037358 /nfs/dbraw/zinc/03/73/58/535037358.db2.gz JZCFXZIJIQESCD-MCIONIFRSA-N 2 0 242.407 1.904 20 0 BDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@H]1CCCOC1 ZINC000252686668 535063687 /nfs/dbraw/zinc/06/36/87/535063687.db2.gz KCHNGLLKAJYCLZ-CHWSQXEVSA-N 2 0 228.380 1.718 20 0 BDADRP C[C@@H](CCCCO)[NH2+]CCC[NH+]1CCCC1 ZINC000393746258 582922203 /nfs/dbraw/zinc/92/22/03/582922203.db2.gz KCXXYKKXCHGSLD-ZDUSSCGKSA-N 2 0 228.380 1.613 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[NH2+]C2)C1(C)C ZINC000261534285 535408716 /nfs/dbraw/zinc/40/87/16/535408716.db2.gz PJTXGJAXWGCHOK-QJPTWQEYSA-N 2 0 226.364 1.389 20 0 BDADRP CC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182951262 535444750 /nfs/dbraw/zinc/44/47/50/535444750.db2.gz JJBKGTUJKCFEFV-UHFFFAOYSA-N 2 0 240.391 1.831 20 0 BDADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CCCO ZINC000348325828 535593946 /nfs/dbraw/zinc/59/39/46/535593946.db2.gz WTXFDDNSICRVGI-ZIAGYGMSSA-N 2 0 242.407 1.859 20 0 BDADRP CCC[C@H](C)[NH2+]CCOCC[NH+](C)C ZINC000219321825 535653025 /nfs/dbraw/zinc/65/30/25/535653025.db2.gz NYZMAAPAWDSTJV-NSHDSACASA-N 2 0 202.342 1.343 20 0 BDADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)C2CC2)CC1 ZINC000177212761 535698071 /nfs/dbraw/zinc/69/80/71/535698071.db2.gz YOGNPLGIJAYYRJ-CYBMUJFWSA-N 2 0 239.407 1.402 20 0 BDADRP CCC[C@]1(CO)CCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261811347 535767719 /nfs/dbraw/zinc/76/77/19/535767719.db2.gz HRIHHOKRPPIRET-ZIAGYGMSSA-N 2 0 240.391 1.613 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000084216629 535831554 /nfs/dbraw/zinc/83/15/54/535831554.db2.gz LUJFIKGVGYHZLN-QWHCGFSZSA-N 3 0 227.396 1.435 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250343899 535832366 /nfs/dbraw/zinc/83/23/66/535832366.db2.gz DZQUXGUXGJWKFP-KBPBESRZSA-N 3 0 239.407 1.545 20 0 BDADRP CC[C@@H]1C[C@H](C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)CCO1 ZINC000262061731 535899994 /nfs/dbraw/zinc/89/99/94/535899994.db2.gz RESPPVNJCSEIKK-FDYHWXHSSA-N 2 0 226.364 1.471 20 0 BDADRP CC[C@H](COC)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130236804 536122334 /nfs/dbraw/zinc/12/23/34/536122334.db2.gz VOHKMNDNLRWFMR-FRRDWIJNSA-N 2 0 226.364 1.628 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccsc1 ZINC000234733559 536596005 /nfs/dbraw/zinc/59/60/05/536596005.db2.gz JRLCETVQLSEWLR-LLVKDONJSA-N 2 0 228.361 1.592 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H](O)CC(C)(C)C ZINC000226066692 536850882 /nfs/dbraw/zinc/85/08/82/536850882.db2.gz JUPFANAIQQSCDV-NWDGAFQWSA-N 2 0 246.395 1.127 20 0 BDADRP COc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000261555517 536897843 /nfs/dbraw/zinc/89/78/43/536897843.db2.gz PUUUOPZJTLJPJT-BXUZGUMPSA-N 2 0 234.343 1.783 20 0 BDADRP COc1ccccc1CC[NH2+]CC(C)(C)[NH3+] ZINC000258880877 537038983 /nfs/dbraw/zinc/03/89/83/537038983.db2.gz QBIBREHUADBRLH-UHFFFAOYSA-N 2 0 222.332 1.565 20 0 BDADRP COc1ccccc1CC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000230287013 537039907 /nfs/dbraw/zinc/03/99/07/537039907.db2.gz HLVFAVJYALXGHD-ZIAGYGMSSA-N 2 0 248.370 1.955 20 0 BDADRP C[N@H+](CCC1SCCS1)C1CC([NH3+])C1 ZINC000853023279 588716611 /nfs/dbraw/zinc/71/66/11/588716611.db2.gz RIMGLFQJQPTFDJ-UHFFFAOYSA-N 2 0 232.418 1.604 20 0 BDADRP CC(C)[N@@H+]1CCCC[C@@H]1CON=C(N)CCO ZINC000853687136 588756443 /nfs/dbraw/zinc/75/64/43/588756443.db2.gz LFGOFVMNDOWJDD-LLVKDONJSA-N 2 0 243.351 1.130 20 0 BDADRP c1ncc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000112341329 588794721 /nfs/dbraw/zinc/79/47/21/588794721.db2.gz BJZRZLCECQCESE-QWHCGFSZSA-N 2 0 232.331 1.193 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC1(CO)CCCC1 ZINC000135062008 582656513 /nfs/dbraw/zinc/65/65/13/582656513.db2.gz WGOVSMHKIMPKID-STQMWFEESA-N 2 0 240.391 1.646 20 0 BDADRP C[C@@H]1[C@H](C)OCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000892048169 582773433 /nfs/dbraw/zinc/77/34/33/582773433.db2.gz IAZZORHYRIOUPK-NEPJUHHUSA-N 2 0 226.364 1.437 20 0 BDADRP CN1CC[N@H+](CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000892054198 582776988 /nfs/dbraw/zinc/77/69/88/582776988.db2.gz ABKDRDOHTQTPEG-UHFFFAOYSA-N 2 0 239.407 1.354 20 0 BDADRP Cc1cc(N)nc(NC[C@H]2CC[N@@H+](C(C)C)C2)[nH+]1 ZINC000892081027 582787424 /nfs/dbraw/zinc/78/74/24/582787424.db2.gz UMJUSCFTALAORX-LLVKDONJSA-N 2 0 249.362 1.509 20 0 BDADRP CC/C=C\CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000849035258 582836563 /nfs/dbraw/zinc/83/65/63/582836563.db2.gz BOHZEJXIUCABCB-FJOGCWAESA-N 2 0 238.379 1.551 20 0 BDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H]([NH3+])C1CC1 ZINC000560942777 582841073 /nfs/dbraw/zinc/84/10/73/582841073.db2.gz DYKQMBIVPHJQES-MRVWCRGKSA-N 2 0 239.407 1.624 20 0 BDADRP CC(=O)OC[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000892607165 582928576 /nfs/dbraw/zinc/92/85/76/582928576.db2.gz HVLLPXYJUDBOGG-UHTWSYAYSA-N 2 0 240.347 1.154 20 0 BDADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)COC(C)=O)C1 ZINC000892668840 582946862 /nfs/dbraw/zinc/94/68/62/582946862.db2.gz RIDFHIRHNXMKNE-AAEUAGOBSA-N 2 0 242.363 1.260 20 0 BDADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)COC(C)=O)C1 ZINC000892668843 582946881 /nfs/dbraw/zinc/94/68/81/582946881.db2.gz RIDFHIRHNXMKNE-YPMHNXCESA-N 2 0 242.363 1.260 20 0 BDADRP CC[C@@H](C[C@@H](C)CO)[NH2+]CC1CC[NH+](C)CC1 ZINC000893075322 583041936 /nfs/dbraw/zinc/04/19/36/583041936.db2.gz ZYMGSTOVOVNVRQ-OCCSQVGLSA-N 2 0 242.407 1.715 20 0 BDADRP CC(=O)OC[C@H](C)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000893094010 583048267 /nfs/dbraw/zinc/04/82/67/583048267.db2.gz CUVJIGULBKVHQZ-DRZSPHRISA-N 2 0 242.363 1.400 20 0 BDADRP C[C@@H](CC1CCC1)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000397610344 583102853 /nfs/dbraw/zinc/10/28/53/583102853.db2.gz RAWFUBALLRFBID-LBPRGKRZSA-N 2 0 240.391 1.611 20 0 BDADRP CO[C@@H]1CC[N@H+](Cc2c(C)ccnc2N)C1 ZINC000894035086 583277957 /nfs/dbraw/zinc/27/79/57/583277957.db2.gz YEOFCZPQXBAYKS-SNVBAGLBSA-N 2 0 221.304 1.193 20 0 BDADRP CCn1cc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c(C)n1 ZINC000894084432 583295679 /nfs/dbraw/zinc/29/56/79/583295679.db2.gz SWABWWWVLWRCTP-OKILXGFUSA-N 2 0 248.374 1.205 20 0 BDADRP Cc1ccnc(N)c1C[NH2+]C[C@@H](O)c1ccco1 ZINC000894167455 583324367 /nfs/dbraw/zinc/32/43/67/583324367.db2.gz ZUBHAPITKNSMBW-LLVKDONJSA-N 2 0 247.298 1.388 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)C2CC2)CC[N@@H+]1C ZINC000336741611 583439639 /nfs/dbraw/zinc/43/96/39/583439639.db2.gz NHHLJFKHTXMYPP-KGYLQXTDSA-N 2 0 226.364 1.077 20 0 BDADRP C[C@@H]1C[C@H]1C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000894377750 583442041 /nfs/dbraw/zinc/44/20/41/583442041.db2.gz FWZZOIKECRLHAT-KGLIPLIRSA-N 2 0 239.407 1.260 20 0 BDADRP CCc1onc(C)c1CN(C)CCC[NH+](C)C ZINC000894451352 583463448 /nfs/dbraw/zinc/46/34/48/583463448.db2.gz KZKUIMJOFRHSBH-UHFFFAOYSA-N 2 0 239.363 1.929 20 0 BDADRP CC(C)(C)[N@@H+]1CC[C@@H]1CNc1cc[nH+]cc1CO ZINC000894476992 583469848 /nfs/dbraw/zinc/46/98/48/583469848.db2.gz VUMZSMBNYQXAOJ-GFCCVEGCSA-N 2 0 249.358 1.281 20 0 BDADRP CC[N@H+](C[C@@H](C)OC)CC1CC[NH+](C)CC1 ZINC000894577409 583487745 /nfs/dbraw/zinc/48/77/45/583487745.db2.gz VWMAQEHCTCTDPA-GFCCVEGCSA-N 2 0 228.380 1.685 20 0 BDADRP Cc1c[nH+]ccc1N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334994679 583598436 /nfs/dbraw/zinc/59/84/36/583598436.db2.gz GHPCOKSJIMCCKT-AWEZNQCLSA-N 2 0 231.343 1.970 20 0 BDADRP C[C@H](CC[NH2+]C1CC(n2cccn2)C1)[NH+](C)C ZINC000895293754 583639419 /nfs/dbraw/zinc/63/94/19/583639419.db2.gz PIBPUVJHVCJXCJ-PNESKVBLSA-N 2 0 236.363 1.516 20 0 BDADRP C[C@H](CC[NH2+]Cc1cccc2n[nH]cc21)[NH+](C)C ZINC000895293178 583639678 /nfs/dbraw/zinc/63/96/78/583639678.db2.gz VSWJXFULNSGGIG-LLVKDONJSA-N 2 0 246.358 1.993 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)CC1 ZINC000895386803 583663233 /nfs/dbraw/zinc/66/32/33/583663233.db2.gz YCCILGUTEXEEBY-ZIAGYGMSSA-N 2 0 238.375 1.297 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000895435097 583673297 /nfs/dbraw/zinc/67/32/97/583673297.db2.gz XPZXTTKRPUAXHY-CHWSQXEVSA-N 2 0 208.349 1.670 20 0 BDADRP Cc1nc(C)c(C)c(N[C@H]2CC[N@H+](C)[C@H]2C)n1 ZINC000895741037 583714517 /nfs/dbraw/zinc/71/45/17/583714517.db2.gz XEBSLTQNQUJWLL-JQWIXIFHSA-N 2 0 234.347 1.906 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCc3ncncc3C2)CC1 ZINC000896038214 583766114 /nfs/dbraw/zinc/76/61/14/583766114.db2.gz LKILAFBMMSXDFX-UHFFFAOYSA-N 2 0 246.358 1.177 20 0 BDADRP CO[C@H]1CC[C@H](C)[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000896074700 583768798 /nfs/dbraw/zinc/76/87/98/583768798.db2.gz CNLKLSGMVFCMHX-JSGCOSHPSA-N 2 0 240.391 1.828 20 0 BDADRP CCO[C@@H](CNc1cc[nH+]cc1C)C[NH+](C)C ZINC000896113884 583771508 /nfs/dbraw/zinc/77/15/08/583771508.db2.gz UGQKYAVDYGKZCS-LBPRGKRZSA-N 2 0 237.347 1.191 20 0 BDADRP C[C@@H]1[C@@H]([NH2+]C[C@@H]2CC2(Cl)Cl)CCN1C ZINC000896554958 583812151 /nfs/dbraw/zinc/81/21/51/583812151.db2.gz WCGCLXQBAVSPME-VGMNWLOBSA-N 2 0 237.174 1.862 20 0 BDADRP Cc1cc(N2CCC23CC[NH+](C)CC3)ncn1 ZINC000897132093 583883061 /nfs/dbraw/zinc/88/30/61/583883061.db2.gz GIMXJNXTNCRSDJ-UHFFFAOYSA-N 2 0 232.331 1.460 20 0 BDADRP CC[NH+](CC)CCCNc1cc[nH+]c(CO)c1 ZINC000858310912 588944100 /nfs/dbraw/zinc/94/41/00/588944100.db2.gz BCKCVMWYPOPGET-UHFFFAOYSA-N 2 0 237.347 1.718 20 0 BDADRP C[C@H](C[NH+]1CCCCC1)Nc1cc[nH+]c(CO)c1 ZINC000858346205 588947887 /nfs/dbraw/zinc/94/78/87/588947887.db2.gz GDULIFDIBJBSQQ-GFCCVEGCSA-N 2 0 249.358 1.860 20 0 BDADRP C[C@@H]1CN(C)C[C@H]1[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000897536191 584009830 /nfs/dbraw/zinc/00/98/30/584009830.db2.gz JIDLKUFNBRCDHI-RQJABVFESA-N 2 0 240.391 1.467 20 0 BDADRP C[NH+]1CCC(NCC[N@@H+]2CCC(C)(C)C2)CC1 ZINC000898035732 584078819 /nfs/dbraw/zinc/07/88/19/584078819.db2.gz YRBZMNAEWLDJSC-UHFFFAOYSA-N 2 0 239.407 1.402 20 0 BDADRP CC[NH+]1CCC([NH2+]CC[C@@H](O)C2CC2)CC1 ZINC000898204271 584091216 /nfs/dbraw/zinc/09/12/16/584091216.db2.gz RAIOHFNCWFFINF-CYBMUJFWSA-N 2 0 226.364 1.221 20 0 BDADRP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C1(C)C ZINC000873254884 584128235 /nfs/dbraw/zinc/12/82/35/584128235.db2.gz APLMUJZWUFOGIX-ZDEQEGDKSA-N 2 0 240.391 1.905 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)[C@H]2CCC[C@H]21 ZINC000873254923 584128316 /nfs/dbraw/zinc/12/83/16/584128316.db2.gz BJMZCZRMJCKUKG-XGFWRYKXSA-N 3 0 237.391 1.186 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCOC1 ZINC000873265741 584128489 /nfs/dbraw/zinc/12/84/89/584128489.db2.gz XJJMFDZIXMPAIE-YHQUGGNUSA-N 2 0 238.375 1.532 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000873282266 584129052 /nfs/dbraw/zinc/12/90/52/584129052.db2.gz SIZNVAMONOLIMY-PJSNJIKXSA-N 2 0 226.364 1.659 20 0 BDADRP C[C@H](NC(=[NH2+])NCCC[NH2+]C(C)(C)C)C1CC1 ZINC000899264996 584189002 /nfs/dbraw/zinc/18/90/02/584189002.db2.gz PSTTWFJAHYWDKK-JTQLQIEISA-N 2 0 240.395 1.677 20 0 BDADRP C[C@H](CNC(=[NH2+])N[C@H](C)C1CC1)[NH+]1CCCC1 ZINC000899266750 584190235 /nfs/dbraw/zinc/19/02/35/584190235.db2.gz XDVYWGKVPNWTIT-GHMZBOCLSA-N 2 0 238.379 1.383 20 0 BDADRP Cn1ncc(-c2ccc(C[NH3+])s2)c1C[NH3+] ZINC000899324305 584196782 /nfs/dbraw/zinc/19/67/82/584196782.db2.gz YCLPBQCFCDSTRU-UHFFFAOYSA-N 2 0 222.317 1.066 20 0 BDADRP C[NH2+][C@H](C)Cc1noc(C[C@H]([NH3+])C(C)(C)C)n1 ZINC000900010550 584265210 /nfs/dbraw/zinc/26/52/10/584265210.db2.gz SXEQZRKNGXDSIA-BDAKNGLRSA-N 2 0 240.351 1.136 20 0 BDADRP CC(C)(C[NH3+])Cc1nc([C@@H]2CCC[NH2+]2)no1 ZINC000900009775 584265669 /nfs/dbraw/zinc/26/56/69/584265669.db2.gz KAXQAYDPPCCXOI-QMMMGPOBSA-N 2 0 224.308 1.022 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@H]2CCCO2)C1 ZINC000902317031 584556788 /nfs/dbraw/zinc/55/67/88/584556788.db2.gz JWZJIGHOKIPJBD-NEPJUHHUSA-N 2 0 226.364 1.533 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902347096 584559312 /nfs/dbraw/zinc/55/93/12/584559312.db2.gz KTOKROPDBRWIME-STQMWFEESA-N 2 0 242.407 1.905 20 0 BDADRP COC[C@@H](C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)OC ZINC000902369862 584566183 /nfs/dbraw/zinc/56/61/83/584566183.db2.gz MOXZNHBDRCLLON-NWDGAFQWSA-N 2 0 244.379 1.016 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902371744 584566554 /nfs/dbraw/zinc/56/65/54/584566554.db2.gz UOYCUDGQOMJBRR-SDDRHHMPSA-N 2 0 228.380 1.514 20 0 BDADRP CC(C)OCC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902373410 584566807 /nfs/dbraw/zinc/56/68/07/584566807.db2.gz DLPXSWBTUJLRMG-GFCCVEGCSA-N 2 0 228.380 1.779 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CC2(O)CCC2)C1 ZINC000902362102 584572814 /nfs/dbraw/zinc/57/28/14/584572814.db2.gz VWPGNCQFJTYHBT-LLVKDONJSA-N 2 0 226.364 1.269 20 0 BDADRP [NH3+]C1(CN[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000902410241 584576388 /nfs/dbraw/zinc/57/63/88/584576388.db2.gz QPCLWVQCDWJUIZ-UONOGXRCSA-N 2 0 245.370 1.561 20 0 BDADRP CC1(C)C[NH2+]CC[C@H](NC[C@@H]2CCCC[NH2+]2)C1 ZINC000902389937 584581531 /nfs/dbraw/zinc/58/15/31/584581531.db2.gz CMTXFPZMSDIMCI-STQMWFEESA-N 2 0 239.407 1.496 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902391482 584582053 /nfs/dbraw/zinc/58/20/53/584582053.db2.gz XOYPZQRBSKUMQX-UPJWGTAASA-N 2 0 240.391 1.922 20 0 BDADRP CC(C)[NH2+]CCCN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902392464 584582751 /nfs/dbraw/zinc/58/27/51/584582751.db2.gz HPKGIXFQFRDGQK-ZDUSSCGKSA-N 2 0 241.423 1.742 20 0 BDADRP CC(C)C[C@@H](C[NH3+])N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902392885 584583304 /nfs/dbraw/zinc/58/33/04/584583304.db2.gz LOVFMEZKFCBCSD-STQMWFEESA-N 2 0 241.423 1.728 20 0 BDADRP CCC([NH3+])(CC)CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902394345 584584777 /nfs/dbraw/zinc/58/47/77/584584777.db2.gz VFSDEWFBHZMLBN-GFCCVEGCSA-N 2 0 241.423 1.872 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902399036 584586069 /nfs/dbraw/zinc/58/60/69/584586069.db2.gz TZMPKYBQZFTRJX-OLZOCXBDSA-N 2 0 242.407 1.905 20 0 BDADRP COC[C@H](CC(C)C)[NH2+]CC1([NH3+])CC1 ZINC000902416333 584590651 /nfs/dbraw/zinc/59/06/51/584590651.db2.gz MYJSTEKLLBHQTK-JTQLQIEISA-N 2 0 200.326 1.128 20 0 BDADRP CCCC[C@H](COC)[NH2+]CC1([NH3+])CC1 ZINC000902416995 584591047 /nfs/dbraw/zinc/59/10/47/584591047.db2.gz QSJADBXRKHWPHL-SNVBAGLBSA-N 2 0 200.326 1.273 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000902428001 584594474 /nfs/dbraw/zinc/59/44/74/584594474.db2.gz AEAZCAISSFEXGB-NDBYEHHHSA-N 2 0 228.380 1.643 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1Cc2ccccc2[C@H]1N ZINC000902431516 584595493 /nfs/dbraw/zinc/59/54/93/584595493.db2.gz FQDJQKDIGJSPKF-NILFDRSVSA-N 2 0 247.386 1.718 20 0 BDADRP C[C@H](N[C@@H]1Cc2ccccc2[C@H]1[NH3+])[C@H]1CCC[NH2+]1 ZINC000902435825 584596428 /nfs/dbraw/zinc/59/64/28/584596428.db2.gz VMBMRMRTWHLNKS-CJYSPXJISA-N 2 0 245.370 1.341 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902436470 584596702 /nfs/dbraw/zinc/59/67/02/584596702.db2.gz YOTYBVWAEAJYLJ-DMTCVQMQSA-N 2 0 233.359 1.327 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902442037 584597726 /nfs/dbraw/zinc/59/77/26/584597726.db2.gz HJHYOEJLYUIVFJ-AVGNSLFASA-N 2 0 240.391 1.779 20 0 BDADRP CC1(C)C[NH2+]C[C@@H]1N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000902442533 584597784 /nfs/dbraw/zinc/59/77/84/584597784.db2.gz JDLAWKKMODTZDV-WOPDTQHZSA-N 2 0 239.407 1.480 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cnn(CCF)c1 ZINC000902444328 584598856 /nfs/dbraw/zinc/59/88/56/584598856.db2.gz GWRDDOQXTOXQKY-VXGBXAGGSA-N 2 0 240.326 1.070 20 0 BDADRP CC1(C)[C@H]([NH2+]CC2([NH3+])CC2)[C@H]2CCCO[C@@H]21 ZINC000902414107 584599881 /nfs/dbraw/zinc/59/98/81/584599881.db2.gz SOCCUDFCYNWVFE-MXWKQRLJSA-N 2 0 224.348 1.271 20 0 BDADRP C[C@@H](CC1CCOCC1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902474015 584602154 /nfs/dbraw/zinc/60/21/54/584602154.db2.gz CAYOQHYQISWTAA-AHLTXXRQSA-N 2 0 238.375 1.674 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cnn(CCF)c1 ZINC000902446470 584603846 /nfs/dbraw/zinc/60/38/46/584603846.db2.gz OUEAQEWTUFASNV-VHSXEESVSA-N 2 0 228.315 1.068 20 0 BDADRP C[C@@H](N[C@H]1C[NH2+]CC1(C)C)c1c[nH+]ccc1N ZINC000902447233 584604518 /nfs/dbraw/zinc/60/45/18/584604518.db2.gz XLYLXDNHIJAUDV-SKDRFNHKSA-N 2 0 234.347 1.143 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000902452534 584607531 /nfs/dbraw/zinc/60/75/31/584607531.db2.gz KSZRYSCQLFHGSX-QLHLUDRRSA-N 2 0 222.332 1.022 20 0 BDADRP CC1(C)CC[N@H+](CCN[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000902453635 584607929 /nfs/dbraw/zinc/60/79/29/584607929.db2.gz CVPCRXLVYIQLNI-OLZOCXBDSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)NCC[N@@H+]1CCC(C)(C)C1 ZINC000902455122 584609487 /nfs/dbraw/zinc/60/94/87/584609487.db2.gz JDVWRVXEMIYSNY-NEPJUHHUSA-N 2 0 227.396 1.434 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc2nonc2c1 ZINC000902458098 584609995 /nfs/dbraw/zinc/60/99/95/584609995.db2.gz STZFOONBWFTAFH-WDEREUQCSA-N 2 0 246.314 1.440 20 0 BDADRP C[C@H]1CC[NH2+]C[C@@H]1NCC[N@@H+]1CCC(C)(C)C1 ZINC000902456388 584610363 /nfs/dbraw/zinc/61/03/63/584610363.db2.gz OMMUHHKQWYTZDT-STQMWFEESA-N 2 0 239.407 1.306 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cn(C)cn1 ZINC000902460673 584611566 /nfs/dbraw/zinc/61/15/66/584611566.db2.gz IHUMRMPKRZMVFA-SNVBAGLBSA-N 2 0 210.325 1.027 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902460862 584611698 /nfs/dbraw/zinc/61/16/98/584611698.db2.gz JPGAQKLEMFVGGZ-KIJLLGNVSA-N 2 0 223.364 1.129 20 0 BDADRP CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902469228 584615544 /nfs/dbraw/zinc/61/55/44/584615544.db2.gz ZHLKRBOALATZSU-RXGFPQBGSA-N 2 0 208.349 1.904 20 0 BDADRP CC[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@@H]1CCOC1 ZINC000902472136 584617170 /nfs/dbraw/zinc/61/71/70/584617170.db2.gz XQQQPVWHVQPHDE-NZEXEKPDSA-N 2 0 224.348 1.284 20 0 BDADRP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cscn1 ZINC000902490870 584618034 /nfs/dbraw/zinc/61/80/34/584618034.db2.gz VPWJPMLRXIZLIJ-IWSPIJDZSA-N 2 0 211.334 1.531 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC[C@H](O)C1CC1 ZINC000902502888 584620787 /nfs/dbraw/zinc/62/07/87/584620787.db2.gz HEIVZNXYAKKGEN-XQQFMLRXSA-N 2 0 226.364 1.255 20 0 BDADRP C[C@@H](NC[C@H]1CCCCC[NH2+]1)[C@H]1CCC[NH2+]1 ZINC000902481360 584622910 /nfs/dbraw/zinc/62/29/10/584622910.db2.gz CBPRKERMWJBNHT-JHJVBQTASA-N 2 0 225.380 1.249 20 0 BDADRP CC(C)[C@@H](Cn1cccn1)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902483804 584624630 /nfs/dbraw/zinc/62/46/30/584624630.db2.gz CLONVWILPJBOAR-JHJVBQTASA-N 2 0 236.363 1.235 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CCCCC[NH2+]1 ZINC000902484970 584624981 /nfs/dbraw/zinc/62/49/81/584624981.db2.gz XPWXGMULNIQTIL-STQMWFEESA-N 3 0 227.396 1.626 20 0 BDADRP CC1(C)[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)[C@H]2CCCO[C@H]21 ZINC000902485635 584625335 /nfs/dbraw/zinc/62/53/35/584625335.db2.gz LSULFODUTQZPEU-SYLRKERUSA-N 2 0 238.375 1.517 20 0 BDADRP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cncc(F)c1 ZINC000902486918 584626109 /nfs/dbraw/zinc/62/61/09/584626109.db2.gz IGTNVELHTTUIRC-AUTRQRHGSA-N 2 0 223.295 1.609 20 0 BDADRP COCC1CCC([NH2+][C@H]2C[C@H](C[NH3+])C2)CC1 ZINC000902488436 584626759 /nfs/dbraw/zinc/62/67/59/584626759.db2.gz YFUQBFFWIPMPCE-FLWUZPLOSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1COC[C@@H]1C1CC1 ZINC000902517164 584630297 /nfs/dbraw/zinc/63/02/97/584630297.db2.gz HPXXXLOGSRDXHM-RTXFEEFZSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCOC1CCSCC1 ZINC000902521392 584631374 /nfs/dbraw/zinc/63/13/74/584631374.db2.gz RXUXKUPZUODSHN-GHMZBOCLSA-N 2 0 246.420 1.614 20 0 BDADRP C1CC1[C@@H]1COC[C@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000902522426 584631882 /nfs/dbraw/zinc/63/18/82/584631882.db2.gz WUXPDPGHYQTGTG-FRRDWIJNSA-N 2 0 224.348 1.143 20 0 BDADRP C1CC1[C@H]1COC[C@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000902522427 584632083 /nfs/dbraw/zinc/63/20/83/584632083.db2.gz WUXPDPGHYQTGTG-JHJVBQTASA-N 2 0 224.348 1.143 20 0 BDADRP CO[C@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903158089 584731123 /nfs/dbraw/zinc/73/11/23/584731123.db2.gz QNKYWYSWFIDREN-WDFAYWTNSA-N 2 0 238.375 1.769 20 0 BDADRP C[C@@H](N)[C@H]1CCCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903421707 584763908 /nfs/dbraw/zinc/76/39/08/584763908.db2.gz RXNWGNSCCPXBBY-FVCCEPFGSA-N 2 0 225.380 1.316 20 0 BDADRP C[C@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H]1CN ZINC000903424825 584765097 /nfs/dbraw/zinc/76/50/97/584765097.db2.gz HYVDZQLRGNEJAK-QNWHQSFQSA-N 2 0 225.380 1.173 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCCOC1 ZINC000903458687 584765502 /nfs/dbraw/zinc/76/55/02/584765502.db2.gz GZPSWXSJZBELQE-LPWJVIDDSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H]1C[NH3+] ZINC000903458836 584765851 /nfs/dbraw/zinc/76/58/51/584765851.db2.gz LIJZXANOKKIXBT-NDBYEHHHSA-N 3 0 225.380 1.031 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000903459849 584766541 /nfs/dbraw/zinc/76/65/41/584766541.db2.gz OVAVIKYQNSKGON-DGTMBMJNSA-N 2 0 239.407 1.147 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000903442700 584767826 /nfs/dbraw/zinc/76/78/26/584767826.db2.gz ZAOJTTXALRSXCZ-UPJWGTAASA-N 2 0 248.374 1.445 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000903451483 584771703 /nfs/dbraw/zinc/77/17/03/584771703.db2.gz AJHRSHITFOTVRX-MJBXVCDLSA-N 3 0 237.391 1.189 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000903453094 584772651 /nfs/dbraw/zinc/77/26/51/584772651.db2.gz ZBMBXEISQQMUOC-WRWGMCAJSA-N 2 0 244.329 1.948 20 0 BDADRP C(C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)OC1CC1 ZINC000903453992 584772963 /nfs/dbraw/zinc/77/29/63/584772963.db2.gz QTWQZRVGGXUFHW-CYBMUJFWSA-N 2 0 224.348 1.241 20 0 BDADRP C([C@H]1CCC[NH2+]1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000903453699 584772975 /nfs/dbraw/zinc/77/29/75/584772975.db2.gz IJVMLFVBJDATLG-KGLIPLIRSA-N 2 0 237.391 1.202 20 0 BDADRP C(C[C@H]1CCCCO1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903470973 584775276 /nfs/dbraw/zinc/77/52/76/584775276.db2.gz FTVMIIGAJWGEPC-CHWSQXEVSA-N 2 0 238.375 1.820 20 0 BDADRP C([NH2+][C@H]1CC[NH2+]C12CCC2)[C@@H]1C[C@]12CCOC2 ZINC000903470941 584775317 /nfs/dbraw/zinc/77/53/17/584775317.db2.gz DXZFKHZQLVTVFB-AVGNSLFASA-N 2 0 236.359 1.287 20 0 BDADRP CC[C@@H]1C[C@H]1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903470825 584775602 /nfs/dbraw/zinc/77/56/02/584775602.db2.gz DQASAXPLQCYSKG-WOPDTQHZSA-N 2 0 208.349 1.907 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903472929 584775839 /nfs/dbraw/zinc/77/58/39/584775839.db2.gz XDWTWHUTAWVCLC-QJPTWQEYSA-N 2 0 224.348 1.286 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@H]3CSC[C@H]3C2)C1 ZINC000903475764 584776535 /nfs/dbraw/zinc/77/65/35/584776535.db2.gz CIGKQYODIXJFSE-WUHRBBMRSA-N 2 0 240.416 1.799 20 0 BDADRP CC(C)(C)[C@@]1(C[NH3+])CCN(C[C@H]2CCC[NH2+]2)C1 ZINC000903475803 584776540 /nfs/dbraw/zinc/77/65/40/584776540.db2.gz DJELRNZJIVRYTD-TZMCWYRMSA-N 2 0 239.407 1.435 20 0 BDADRP C[N@@H+]1CC[C@@H]2CN(C[C@@H]3CC[C@H]([NH3+])C3)CC[C@@H]21 ZINC000903475817 584777033 /nfs/dbraw/zinc/77/70/33/584777033.db2.gz FADXWBLHPNWVPQ-MQYQWHSLSA-N 2 0 237.391 1.140 20 0 BDADRP N[C@H]1CCCCC[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000903476660 584777590 /nfs/dbraw/zinc/77/75/90/584777590.db2.gz FETNTOWKGGYJKT-XQQFMLRXSA-N 2 0 225.380 1.317 20 0 BDADRP C[C@H](F)CC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903481830 584777958 /nfs/dbraw/zinc/77/79/58/584777958.db2.gz NWLCDMJDRBXVJS-WDEREUQCSA-N 2 0 214.328 1.999 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000903482155 584778649 /nfs/dbraw/zinc/77/86/49/584778649.db2.gz YNYVCXNOTQRORW-FRRDWIJNSA-N 2 0 238.375 1.676 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000903482056 584778753 /nfs/dbraw/zinc/77/87/53/584778753.db2.gz VQISCINCQPUQKM-YNEHKIRRSA-N 3 0 237.391 1.378 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH3+])N(C[C@H]2CCC[NH2+]2)[C@H]1C ZINC000903482772 584778897 /nfs/dbraw/zinc/77/88/97/584778897.db2.gz SBXBWVLUGMUXRQ-XQHKEYJVSA-N 2 0 225.380 1.186 20 0 BDADRP OCCCCCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903484755 584779649 /nfs/dbraw/zinc/77/96/49/584779649.db2.gz DAHPVAXWIXRABT-CYBMUJFWSA-N 2 0 240.391 1.803 20 0 BDADRP CO[C@H](C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1)C1CCC1 ZINC000903498566 584780276 /nfs/dbraw/zinc/78/02/76/584780276.db2.gz KRXSYKBMOLRLJL-MRVWCRGKSA-N 2 0 240.391 1.718 20 0 BDADRP c1ccc([C@]23C[C@H]2C[N@@H+](C[C@@H]2CC[NH2+]C2)C3)cc1 ZINC000903491220 584780945 /nfs/dbraw/zinc/78/09/45/584780945.db2.gz ZNSVZSAMKHZJDM-VNQPRFMTSA-N 2 0 242.366 1.869 20 0 BDADRP C[C@@H]1CSCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000903708351 584791266 /nfs/dbraw/zinc/79/12/66/584791266.db2.gz RTIZUBIGRMFMBQ-LLVKDONJSA-N 2 0 228.405 1.813 20 0 BDADRP CCCC[N@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903718115 584792253 /nfs/dbraw/zinc/79/22/53/584792253.db2.gz ZYISPAVFQAOBOA-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[NH+]1CCCCCC1 ZINC000903717003 584792369 /nfs/dbraw/zinc/79/23/69/584792369.db2.gz GGHVRPLFQQLJEY-UONOGXRCSA-N 2 0 238.375 1.631 20 0 BDADRP CC(C)[C@](C)(C[NH3+])NC[C@H]1CCCC[NH2+]C1 ZINC000903717723 584792529 /nfs/dbraw/zinc/79/25/29/584792529.db2.gz UIEJOJGOZWRRAZ-STQMWFEESA-N 2 0 227.396 1.339 20 0 BDADRP OCCC[N@H+](C[C@H]1CCCC[NH2+]C1)C1CC1 ZINC000903730458 584792882 /nfs/dbraw/zinc/79/28/82/584792882.db2.gz WMMUVALEQFKUNZ-LBPRGKRZSA-N 2 0 226.364 1.223 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903727155 584792961 /nfs/dbraw/zinc/79/29/61/584792961.db2.gz RFSTZJPPBFGKEH-CHWSQXEVSA-N 2 0 238.375 1.487 20 0 BDADRP C[N@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CCC1 ZINC000903728881 584792963 /nfs/dbraw/zinc/79/29/63/584792963.db2.gz GRVWHFGIPWIJFP-CYBMUJFWSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903732307 584793183 /nfs/dbraw/zinc/79/31/83/584793183.db2.gz FGMQOYPNYKOWLZ-RQJABVFESA-N 2 0 238.375 1.485 20 0 BDADRP C[N@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C1CCC1 ZINC000903730072 584793233 /nfs/dbraw/zinc/79/32/33/584793233.db2.gz TXZPATWJVCBICZ-STQMWFEESA-N 2 0 224.348 1.239 20 0 BDADRP C[NH2+]C[C@@H]1CCCN(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903713669 584793401 /nfs/dbraw/zinc/79/34/01/584793401.db2.gz YZTMRKSMFKYFFG-UONOGXRCSA-N 2 0 239.407 1.308 20 0 BDADRP C[NH2+]C[C@H]1CCCN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000903713668 584793851 /nfs/dbraw/zinc/79/38/51/584793851.db2.gz YZTMRKSMFKYFFG-KGLIPLIRSA-N 2 0 239.407 1.308 20 0 BDADRP C([C@@H]1CCCC[NH2+]C1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000903749318 584794998 /nfs/dbraw/zinc/79/49/98/584794998.db2.gz IJJBCDCCKKHSNF-HZSPNIEDSA-N 2 0 237.391 1.060 20 0 BDADRP OC1CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903751071 584795581 /nfs/dbraw/zinc/79/55/81/584795581.db2.gz DNEXYXOATKLAOC-YHWZYXNKSA-N 2 0 238.375 1.364 20 0 BDADRP CC1CC(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000903751067 584795787 /nfs/dbraw/zinc/79/57/87/584795787.db2.gz DJEKCHSBCHYQJQ-RUXDESIVSA-N 2 0 237.391 1.012 20 0 BDADRP COC(=O)[C@@H](C)C[N@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000903752912 584796029 /nfs/dbraw/zinc/79/60/29/584796029.db2.gz PZVQODPPLDHYHU-RYUDHWBXSA-N 2 0 242.363 1.117 20 0 BDADRP CCC[C@@H]1C[NH2+]CCN1C[C@H]1CCCC[NH2+]C1 ZINC000903743344 584796923 /nfs/dbraw/zinc/79/69/23/584796923.db2.gz ISOJMIOBVZFFFR-UONOGXRCSA-N 2 0 239.407 1.450 20 0 BDADRP C([C@H]1CCCC[NH2+]C1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000903741738 584796939 /nfs/dbraw/zinc/79/69/39/584796939.db2.gz SHSTVZJIDNGUDN-JSGCOSHPSA-N 2 0 237.391 1.202 20 0 BDADRP C([C@@H]1CCCC[NH2+]C1)[N@@H+]1CCC[C@@H]2OCC[C@@H]21 ZINC000903768775 584798248 /nfs/dbraw/zinc/79/82/48/584798248.db2.gz QMKDEAXLJAUIQU-RDBSUJKOSA-N 2 0 238.375 1.629 20 0 BDADRP CC(C)(C[NH3+])C1CC[NH+](CCC[NH3+])CC1 ZINC000903790638 584798634 /nfs/dbraw/zinc/79/86/34/584798634.db2.gz TUPRRPVMUYUUDV-UHFFFAOYSA-N 3 0 213.369 1.032 20 0 BDADRP [NH3+][C@H]1CCCCCN(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903776907 584798872 /nfs/dbraw/zinc/79/88/72/584798872.db2.gz YBBRTHSTTIUXHN-KGLIPLIRSA-N 2 0 239.407 1.579 20 0 BDADRP [NH3+]CCC[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903792488 584799064 /nfs/dbraw/zinc/79/90/64/584799064.db2.gz CDFBTZSTQZWTPR-UHFFFAOYSA-N 2 0 247.386 1.328 20 0 BDADRP [NH3+][C@@H]1CCCCCN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000903776908 584799086 /nfs/dbraw/zinc/79/90/86/584799086.db2.gz YBBRTHSTTIUXHN-UONOGXRCSA-N 2 0 239.407 1.579 20 0 BDADRP [NH3+]C[C@@]12CC[C@@H]1CCCN2CC1CC[NH2+]CC1 ZINC000903796987 584800579 /nfs/dbraw/zinc/80/05/79/584800579.db2.gz ZUDNGSNYDJYVQS-KBPBESRZSA-N 2 0 237.391 1.189 20 0 BDADRP [NH3+]CCCCCCN1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903802075 584802055 /nfs/dbraw/zinc/80/20/55/584802055.db2.gz QXRHKQMLCQDAIF-KBPBESRZSA-N 2 0 239.407 1.709 20 0 BDADRP [NH3+]C[C@]12CC[C@H]1CCCN2CC[C@@H]1CC[NH2+]C1 ZINC000903803179 584802186 /nfs/dbraw/zinc/80/21/86/584802186.db2.gz WPPNPDUBCMEQQO-BFHYXJOUSA-N 2 0 237.391 1.189 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903805030 584803092 /nfs/dbraw/zinc/80/30/92/584803092.db2.gz LESJDKJHNXMTIX-RFGFWPKPSA-N 2 0 237.391 1.045 20 0 BDADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](C/C=C/Cl)C2 ZINC000903842995 584807659 /nfs/dbraw/zinc/80/76/59/584807659.db2.gz ZYYOEZGZXJLTMK-PTFZSRKFSA-N 2 0 200.713 1.551 20 0 BDADRP CCc1noc(C)c1CN1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903855576 584808776 /nfs/dbraw/zinc/80/87/76/584808776.db2.gz NNMIWDFXJMHUAK-FZMZJTMJSA-N 2 0 249.358 1.859 20 0 BDADRP [NH3+][C@@H](CC(F)F)C[N@H+](CCO)C1CCCC1 ZINC000903872026 584815607 /nfs/dbraw/zinc/81/56/07/584815607.db2.gz AXGYEEOVFUYLLA-VIFPVBQESA-N 2 0 236.306 1.206 20 0 BDADRP C[C@@H]1CCCN(C[C@H]([NH3+])CC(F)F)[C@@H]1C[NH3+] ZINC000903873266 584815725 /nfs/dbraw/zinc/81/57/25/584815725.db2.gz GBVANGMTWJAYAX-OPRDCNLKSA-N 2 0 235.322 1.028 20 0 BDADRP C[NH2+][C@H]1CCCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903873519 584815773 /nfs/dbraw/zinc/81/57/73/584815773.db2.gz JBGUDXUHZGXGOP-GSPSYOTPSA-N 2 0 237.391 1.201 20 0 BDADRP C[C@H]1NCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1C ZINC000903873947 584815987 /nfs/dbraw/zinc/81/59/87/584815987.db2.gz OOMCYSUWHZMISF-YJBUHQLJSA-N 2 0 237.391 1.199 20 0 BDADRP CC[N@H+](C)C[C@H]1CCN(C[C@H]([NH3+])CC(F)F)C1 ZINC000903897964 584820022 /nfs/dbraw/zinc/82/00/22/584820022.db2.gz KTOIHFDSWJFSSV-GHMZBOCLSA-N 2 0 249.349 1.243 20 0 BDADRP CCC(CC)(CO)[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903899254 584820248 /nfs/dbraw/zinc/82/02/48/584820248.db2.gz RLVWNSFHKVTRMN-QMMMGPOBSA-N 2 0 224.295 1.110 20 0 BDADRP C[C@H](O)C(C)(C)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903903876 584820916 /nfs/dbraw/zinc/82/09/16/584820916.db2.gz YAVFFLOCOLOJPW-YEJSDXFRSA-N 2 0 226.364 1.266 20 0 BDADRP CC(C)(C)[C@@H](CO)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903904179 584821030 /nfs/dbraw/zinc/82/10/30/584821030.db2.gz QKLNBPWHAMGAOI-PSEXLTFBSA-N 2 0 240.391 1.514 20 0 BDADRP C[NH+](C)[C@@H]1CCCN(C[C@H]([NH3+])CC(F)F)CC1 ZINC000903909674 584821747 /nfs/dbraw/zinc/82/17/47/584821747.db2.gz WSKUYHHBFLDQCE-GHMZBOCLSA-N 2 0 249.349 1.385 20 0 BDADRP C[C@@H]1CCNC[C@@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903919886 584823095 /nfs/dbraw/zinc/82/30/95/584823095.db2.gz QBXIYMFCFOCSGF-JWURUJNWSA-N 2 0 237.391 1.105 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903919260 584823128 /nfs/dbraw/zinc/82/31/28/584823128.db2.gz LKFVGSGTTIAYJA-ODWCKFRGSA-N 3 0 225.380 1.105 20 0 BDADRP [NH3+][C@H](CC(F)F)CN1CCCCC[C@H]([NH3+])C1 ZINC000903934199 584824931 /nfs/dbraw/zinc/82/49/31/584824931.db2.gz DHSNJMGGMGHCPS-VHSXEESVSA-N 2 0 235.322 1.172 20 0 BDADRP [NH3+]CCC1CCN(C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903932102 584825217 /nfs/dbraw/zinc/82/52/17/584825217.db2.gz MJHYTPAYDZSQNT-JTQLQIEISA-N 2 0 235.322 1.030 20 0 BDADRP C[C@@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1C[NH3+] ZINC000903935075 584825781 /nfs/dbraw/zinc/82/57/81/584825781.db2.gz LUYDNAOSLATBKS-RFLLOBDJSA-N 2 0 237.391 1.044 20 0 BDADRP CC(C)[C@H]1CN(C[C@@H]([NH3+])CC(F)F)CC[N@@H+]1C ZINC000903937111 584826452 /nfs/dbraw/zinc/82/64/52/584826452.db2.gz BMQJYDUGMDYKAI-WDEREUQCSA-N 2 0 249.349 1.241 20 0 BDADRP CC(C)([NH3+])CC[NH2+]Cc1cc(C(N)=O)cs1 ZINC000903939352 584826601 /nfs/dbraw/zinc/82/66/01/584826601.db2.gz XNNWOSHJTSLPCG-UHFFFAOYSA-N 2 0 241.360 1.064 20 0 BDADRP [NH3+][C@H](CC(F)F)CN1CCC2(C1)CC[NH2+]CC2 ZINC000903917983 584826891 /nfs/dbraw/zinc/82/68/91/584826891.db2.gz POCQDSBBTINSAL-SNVBAGLBSA-N 3 0 247.333 1.044 20 0 BDADRP C([NH2+]C[C@@H]1CCC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903917961 584827105 /nfs/dbraw/zinc/82/71/05/584827105.db2.gz PGSKKSVSMQCSQX-RLAWYHOSSA-N 3 0 237.391 1.106 20 0 BDADRP C[C@]1(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)CC[NH2+]C1 ZINC000903953383 584831259 /nfs/dbraw/zinc/83/12/59/584831259.db2.gz DQLSGVYUKRAKFJ-RDBSUJKOSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@]1(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)CC[NH2+]C1 ZINC000903953377 584831406 /nfs/dbraw/zinc/83/14/06/584831406.db2.gz DQLSGVYUKRAKFJ-IHRRRGAJSA-N 2 0 238.375 1.487 20 0 BDADRP CC(C)C[C@@H]([NH3+])CNC[C@@H]1C[NH2+]CCC1(F)F ZINC000903956099 584832285 /nfs/dbraw/zinc/83/22/85/584832285.db2.gz GVIITCZSORXWHO-WDEREUQCSA-N 2 0 249.349 1.194 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C1CCOCC1 ZINC000903974475 584832576 /nfs/dbraw/zinc/83/25/76/584832576.db2.gz OGOVJLPJWDLFJQ-GHMZBOCLSA-N 2 0 212.337 1.001 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1NCc1cccc2c1CC[NH2+]C2 ZINC000903964735 584834296 /nfs/dbraw/zinc/83/42/96/584834296.db2.gz VFEDCDOBOHURSL-IAQYHMDHSA-N 2 0 245.370 1.030 20 0 BDADRP COC[C@@H](CC(C)C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903967713 584834930 /nfs/dbraw/zinc/83/49/30/584834930.db2.gz LNVCPLAQAVEYSE-FRRDWIJNSA-N 2 0 228.380 1.493 20 0 BDADRP CC[N@@H+]1CC[C@H](NC[C@@H]2C[NH2+]C[C@H]2C)[C@H](C)C1 ZINC000903967125 584835064 /nfs/dbraw/zinc/83/50/64/584835064.db2.gz HMOONSDVPNVLFM-MQYQWHSLSA-N 2 0 239.407 1.162 20 0 BDADRP C[NH2+]C[C@@H]1CCCN(C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904299304 584860132 /nfs/dbraw/zinc/86/01/32/584860132.db2.gz AMGINFSYAFCVQT-UONOGXRCSA-N 2 0 239.407 1.308 20 0 BDADRP C[NH2+]C[C@@H]1CCCN(C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904299294 584860268 /nfs/dbraw/zinc/86/02/68/584860268.db2.gz AMGINFSYAFCVQT-KBPBESRZSA-N 2 0 239.407 1.308 20 0 BDADRP C[NH2+][C@@H]1CCCN(C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904299769 584860581 /nfs/dbraw/zinc/86/05/81/584860581.db2.gz OBVPUSYRNKSQTB-OLZOCXBDSA-N 2 0 225.380 1.060 20 0 BDADRP [NH3+]Cc1ccc(CN2CCC[C@@H]([NH3+])C2)cc1 ZINC000904299839 584860891 /nfs/dbraw/zinc/86/08/91/584860891.db2.gz PMGSHGOFXOYTMB-CYBMUJFWSA-N 2 0 219.332 1.068 20 0 BDADRP C[NH2+]C[C@H]1CCCN1C[C@H]([NH3+])CCC(C)(C)C ZINC000904300956 584861131 /nfs/dbraw/zinc/86/11/31/584861131.db2.gz CIBAVAWEXIZGOB-CHWSQXEVSA-N 2 0 241.423 1.824 20 0 BDADRP CC[C@@H]1CN(C[C@@]2(C)CCC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000904301092 584861371 /nfs/dbraw/zinc/86/13/71/584861371.db2.gz GKMKHYDNQMREJE-RDBSUJKOSA-N 3 0 239.407 1.435 20 0 BDADRP CC[C@@H]1CN(C[C@@]2(C)CCC[NH2+]C2)CC[C@H]1[NH3+] ZINC000904301090 584861443 /nfs/dbraw/zinc/86/14/43/584861443.db2.gz GKMKHYDNQMREJE-MCIONIFRSA-N 3 0 239.407 1.435 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)C1 ZINC000904302481 584862192 /nfs/dbraw/zinc/86/21/92/584862192.db2.gz VCXXVBANPSDHOL-NTZNESFSSA-N 2 0 219.332 1.889 20 0 BDADRP CCN(CCO)C[C@@H]([NH3+])CCC(C)(C)C ZINC000904302472 584862384 /nfs/dbraw/zinc/86/23/84/584862384.db2.gz UQKDQFHOJLDLEQ-NSHDSACASA-N 2 0 216.369 1.454 20 0 BDADRP CC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C[C@H]1CCOC1 ZINC000904309952 584862550 /nfs/dbraw/zinc/86/25/50/584862550.db2.gz TXMGNCVHBJMXCM-UTUOFQBUSA-N 2 0 212.337 1.082 20 0 BDADRP CC[N@H+](CCC(=O)OC)C[C@]1(C)CCC[NH2+]C1 ZINC000904313684 584863398 /nfs/dbraw/zinc/86/33/98/584863398.db2.gz XUWLIPSLTWQZPH-CYBMUJFWSA-N 2 0 242.363 1.261 20 0 BDADRP CC(C)(C)C[N@H+](CCO)C[C@@]1(C)CCC[NH2+]C1 ZINC000904317931 584863872 /nfs/dbraw/zinc/86/38/72/584863872.db2.gz KATAKBKWFRZCIS-AWEZNQCLSA-N 2 0 242.407 1.717 20 0 BDADRP C[C@]1(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)CCC[NH2+]C1 ZINC000904322023 584864541 /nfs/dbraw/zinc/86/45/41/584864541.db2.gz MSZDBQFPHQIJAV-MJBXVCDLSA-N 2 0 237.391 1.060 20 0 BDADRP C[C@H]1C[C@@H]([N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)CCN1C ZINC000904323289 584864767 /nfs/dbraw/zinc/86/47/67/584864767.db2.gz NSQXFFVFGXJFPR-RVMXOQNASA-N 2 0 225.380 1.138 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2C[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000904322570 584864920 /nfs/dbraw/zinc/86/49/20/584864920.db2.gz DEKZSFLLCSPWAS-MQYQWHSLSA-N 3 0 239.407 1.386 20 0 BDADRP CCc1cnc(C[N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)s1 ZINC000904327052 584865413 /nfs/dbraw/zinc/86/54/13/584865413.db2.gz XYNSEWURZJQXQL-AOOOYVTPSA-N 2 0 239.388 1.875 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])C[NH2+]C(C)(C)CCO ZINC000904328423 584865532 /nfs/dbraw/zinc/86/55/32/584865532.db2.gz DVVUJIOHHYRVTH-NSHDSACASA-N 2 0 230.396 1.891 20 0 BDADRP CCN1C[C@@H](C)[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1C ZINC000904340712 584866553 /nfs/dbraw/zinc/86/65/53/584866553.db2.gz LBRPMFXUJSDWOR-LPWJVIDDSA-N 2 0 225.380 1.138 20 0 BDADRP CCN1C[C@H](C)[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1C ZINC000904340723 584866568 /nfs/dbraw/zinc/86/65/68/584866568.db2.gz LBRPMFXUJSDWOR-XQHKEYJVSA-N 2 0 225.380 1.138 20 0 BDADRP C[C@@H](O)CN(C)C[C@H]([NH3+])CCC(C)(C)C ZINC000904335598 584866803 /nfs/dbraw/zinc/86/68/03/584866803.db2.gz GUVVMJINBJSBOC-GHMZBOCLSA-N 2 0 216.369 1.453 20 0 BDADRP CCOC(=O)[C@H](C)[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000904341008 584867576 /nfs/dbraw/zinc/86/75/76/584867576.db2.gz HMNYSHMVFZCNJM-GARJFASQSA-N 2 0 240.347 1.140 20 0 BDADRP C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904343294 584867966 /nfs/dbraw/zinc/86/79/66/584867966.db2.gz SGMGBUMQYNNNIC-RXGFPQBGSA-N 2 0 226.364 1.205 20 0 BDADRP C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904349744 584868864 /nfs/dbraw/zinc/86/88/64/584868864.db2.gz ASPPQSCTNVNSCI-QEYWKRMJSA-N 2 0 236.281 1.996 20 0 BDADRP C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904349743 584868911 /nfs/dbraw/zinc/86/89/11/584868911.db2.gz ASPPQSCTNVNSCI-IMSYWVGJSA-N 2 0 236.281 1.996 20 0 BDADRP CC(C)[C@@H]([NH3+])CNC[C@H]([NH3+])CCC(C)(C)C ZINC000904351471 584869429 /nfs/dbraw/zinc/86/94/29/584869429.db2.gz ZGECHFNBZBJDNQ-NEPJUHHUSA-N 2 0 229.412 1.713 20 0 BDADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH3+])cc1 ZINC000904351342 584869616 /nfs/dbraw/zinc/86/96/16/584869616.db2.gz YBVMZIVWWGECTP-HNNXBMFYSA-N 3 0 247.386 1.849 20 0 BDADRP Nc1ccc(CN[C@@H](C[NH3+])C2CCCCC2)nn1 ZINC000904353040 584869733 /nfs/dbraw/zinc/86/97/33/584869733.db2.gz GSYDIQICYSMYKR-LBPRGKRZSA-N 2 0 249.362 1.056 20 0 BDADRP C[C@@]1(CNC[C@@H]2CCCC[NH2+]2)CCC[NH2+]C1 ZINC000904353234 584869791 /nfs/dbraw/zinc/86/97/91/584869791.db2.gz JNGTZAJZFFKSTO-QWHCGFSZSA-N 3 0 225.380 1.108 20 0 BDADRP CC[NH2+]Cc1cccc(NC2CC(C[NH3+])C2)c1 ZINC000904352982 584869932 /nfs/dbraw/zinc/86/99/32/584869932.db2.gz FJJYLJVFLXXJJC-UHFFFAOYSA-N 2 0 233.359 1.945 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CN[C@H]1CC[NH2+]C1 ZINC000904353059 584869973 /nfs/dbraw/zinc/86/99/73/584869973.db2.gz HDUVWYNEVSOKMQ-QWRGUYRKSA-N 2 0 213.369 1.092 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CNC[C@H]1CCCC[NH2+]1 ZINC000904353634 584870324 /nfs/dbraw/zinc/87/03/24/584870324.db2.gz PLPCBILKQNRRPJ-QWHCGFSZSA-N 2 0 241.423 1.872 20 0 BDADRP Cc1cc(N)cc(C[NH2+]C[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000904355652 584871441 /nfs/dbraw/zinc/87/14/41/584871441.db2.gz VPMMQWTYMYDFBL-BJHJDKERSA-N 2 0 219.332 1.404 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CN[C@H]1CC[NH2+]C1(C)C ZINC000904358809 584872446 /nfs/dbraw/zinc/87/24/46/584872446.db2.gz SNPNKARAAFDCSL-RYUDHWBXSA-N 2 0 241.423 1.870 20 0 BDADRP C[C@H](CC(C)(C)C)[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904369426 584873081 /nfs/dbraw/zinc/87/30/81/584873081.db2.gz VYNDGZHQZMVHPW-GFCCVEGCSA-N 2 0 241.423 1.824 20 0 BDADRP C[NH2+]CCCN(C)C[C@@H]([NH3+])CCC(C)(C)C ZINC000904374026 584873609 /nfs/dbraw/zinc/87/36/09/584873609.db2.gz YMPQSZBPNQMPJF-LBPRGKRZSA-N 2 0 229.412 1.681 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC[C@@]1(C)CCC[NH2+]C1 ZINC000904374932 584874351 /nfs/dbraw/zinc/87/43/51/584874351.db2.gz YLVKETCQDJEUMD-SRVKXCTJSA-N 2 0 213.369 1.092 20 0 BDADRP C[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904363001 584874368 /nfs/dbraw/zinc/87/43/68/584874368.db2.gz VWWFGAHNINRYLA-OCCSQVGLSA-N 2 0 239.407 1.578 20 0 BDADRP CC(=O)Nc1cccc(C[NH2+]C[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000904364217 584874377 /nfs/dbraw/zinc/87/43/77/584874377.db2.gz ISCRADNNXUMEDO-BETUJISGSA-N 2 0 247.342 1.472 20 0 BDADRP COCc1cccc(C[NH2+]C2CC(C[NH3+])C2)c1 ZINC000904363645 584874590 /nfs/dbraw/zinc/87/45/90/584874590.db2.gz AEYFXYHATQWIMB-UHFFFAOYSA-N 2 0 234.343 1.660 20 0 BDADRP C[N@H+](CC1=CCSC1)C[C@]1(C)CCC[NH2+]C1 ZINC000904378644 584875829 /nfs/dbraw/zinc/87/58/29/584875829.db2.gz GNKSZNXCDSTIID-CYBMUJFWSA-N 2 0 240.416 1.981 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)C1 ZINC000904378342 584875968 /nfs/dbraw/zinc/87/59/68/584875968.db2.gz BABPVPATCBLWES-VNHYZAJKSA-N 2 0 246.354 1.877 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904376104 584876035 /nfs/dbraw/zinc/87/60/35/584876035.db2.gz MJIIMFNWMSVXLY-VDISTLRHSA-N 3 0 233.359 1.233 20 0 BDADRP Cc1ncccc1C[NH2+]C1CC(C[NH3+])C1 ZINC000904379620 584876551 /nfs/dbraw/zinc/87/65/51/584876551.db2.gz AFHHZIXCQARELO-UHFFFAOYSA-N 2 0 205.305 1.217 20 0 BDADRP C[C@H]1CC[C@@H](NCc2ccc(C[NH3+])cc2)C[NH2+]1 ZINC000904381156 584876854 /nfs/dbraw/zinc/87/68/54/584876854.db2.gz KXMJTJNLTMMHKR-SMDDNHRTSA-N 2 0 233.359 1.375 20 0 BDADRP C[C@@H]1C[NH+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H](C)C1(F)F ZINC000904380490 584876870 /nfs/dbraw/zinc/87/68/70/584876870.db2.gz MPSFRHREQKFZLJ-DBIOUOCHSA-N 2 0 232.318 1.947 20 0 BDADRP C[C@@H](CC1CCC1)[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904385390 584877838 /nfs/dbraw/zinc/87/78/38/584877838.db2.gz XCXZRTWSOKDFDJ-LBPRGKRZSA-N 2 0 239.407 1.578 20 0 BDADRP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904407109 584878965 /nfs/dbraw/zinc/87/89/65/584878965.db2.gz NJGQMKMVVWFLDN-NEPJUHHUSA-N 3 0 213.369 1.031 20 0 BDADRP C[C@H]1C[N@H+](Cc2nccn2C2CC2)CC[C@H]1C[NH3+] ZINC000904409605 584878995 /nfs/dbraw/zinc/87/89/95/584878995.db2.gz DJDKOGFURVXXJU-RYUDHWBXSA-N 2 0 248.374 1.635 20 0 BDADRP CC(C)[C@H](C[NH3+])C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000904410598 584879040 /nfs/dbraw/zinc/87/90/40/584879040.db2.gz PNOLQIMAPLSHCG-RWMBFGLXSA-N 3 0 227.396 1.134 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccc(N)nc2)CC[C@H]1C[NH3+] ZINC000904410552 584879140 /nfs/dbraw/zinc/87/91/40/584879140.db2.gz HJZBBNQLASQRGS-PWSUYJOCSA-N 2 0 234.347 1.081 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC000904407289 584879151 /nfs/dbraw/zinc/87/91/51/584879151.db2.gz SNDSBZWPCFDBQC-AWEZNQCLSA-N 3 0 233.359 1.316 20 0 BDADRP CC(C)C[C@H](N)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000904409701 584879322 /nfs/dbraw/zinc/87/93/22/584879322.db2.gz GQOCQHCGJLMQHP-AGIUHOORSA-N 2 0 227.396 1.277 20 0 BDADRP C[C@H]1C[N@H+](Cc2cocn2)CC[C@@H]1C[NH3+] ZINC000904411970 584879726 /nfs/dbraw/zinc/87/97/26/584879726.db2.gz YKDQRANDJBWHCO-VHSXEESVSA-N 2 0 209.293 1.091 20 0 BDADRP CC[C@@H]1C[C@@H](C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)CCO1 ZINC000904417424 584881616 /nfs/dbraw/zinc/88/16/16/584881616.db2.gz BOSXQUGZEJGJKO-XJFOESAGSA-N 2 0 240.391 1.718 20 0 BDADRP COc1ccccc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904421014 584881877 /nfs/dbraw/zinc/88/18/77/584881877.db2.gz LFPBMODRAKXOEE-GXTWGEPZSA-N 2 0 246.354 1.737 20 0 BDADRP [NH3+]Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000904418885 584881889 /nfs/dbraw/zinc/88/18/89/584881889.db2.gz GPIPYRVNTBKQOM-LSDHHAIUSA-N 3 0 245.370 1.187 20 0 BDADRP Cc1noc(C)c1C[N@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000842471557 584897542 /nfs/dbraw/zinc/89/75/42/584897542.db2.gz ISJZWZVIHGLQND-LBPRGKRZSA-N 2 0 237.347 1.723 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)C2CC2)C1 ZINC000838862562 585075960 /nfs/dbraw/zinc/07/59/60/585075960.db2.gz KTBYRPWAGLWNTA-AAEUAGOBSA-N 2 0 226.364 1.031 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)C2CC2)[C@@H](C)C1 ZINC000838895415 585079106 /nfs/dbraw/zinc/07/91/06/585079106.db2.gz OHMPTSFVEULHKP-FPMFFAJLSA-N 2 0 240.391 1.419 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@@H]1C[C@@]12CCOC2 ZINC000886841718 585184151 /nfs/dbraw/zinc/18/41/51/585184151.db2.gz TVQMDUWZBKQYKD-YVECIDJPSA-N 2 0 224.348 1.225 20 0 BDADRP CC[N@@H+]1CCN(CC[NH+]2CCCC2)C[C@H]1C ZINC000760886188 585401119 /nfs/dbraw/zinc/40/11/19/585401119.db2.gz MIAKPXKFASBOQW-CYBMUJFWSA-N 2 0 225.380 1.108 20 0 BDADRP C[C@H]1CN(CC[NH+]2CCCCC2)CC[N@@H+]1C ZINC000761080492 585404226 /nfs/dbraw/zinc/40/42/26/585404226.db2.gz UEPQKPUHMJYGHJ-ZDUSSCGKSA-N 2 0 225.380 1.108 20 0 BDADRP Cc1nc(C)c(C)c(NC[C@H]2CCC[N@H+]2C)n1 ZINC000761888358 585422338 /nfs/dbraw/zinc/42/23/38/585422338.db2.gz UNSNALPWHQXRSB-GFCCVEGCSA-N 2 0 234.347 1.908 20 0 BDADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@@H](CCO)C1CC1 ZINC000773010868 585629534 /nfs/dbraw/zinc/62/95/34/585629534.db2.gz HDORHQRVEWSXEO-DDTOSNHZSA-N 2 0 238.375 1.220 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOC2CCC2)[C@@H](C)C1 ZINC000777119719 585708842 /nfs/dbraw/zinc/70/88/42/585708842.db2.gz CQQROETWMFFOTO-GXTWGEPZSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)CCO ZINC000779342982 585751797 /nfs/dbraw/zinc/75/17/97/585751797.db2.gz QDZYSLIDSADVST-NSHDSACASA-N 2 0 202.342 1.077 20 0 BDADRP C[C@@H](CCO)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000779340961 585751911 /nfs/dbraw/zinc/75/19/11/585751911.db2.gz LHZXLDORXRBBIG-AWEZNQCLSA-N 2 0 242.407 1.859 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)CCO)C1 ZINC000779393284 585753132 /nfs/dbraw/zinc/75/31/32/585753132.db2.gz RCYUWICCVGJMTL-VXGBXAGGSA-N 2 0 214.353 1.079 20 0 BDADRP COc1ccc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)nc1 ZINC000785933125 585883810 /nfs/dbraw/zinc/88/38/10/585883810.db2.gz MOLPMCISVPDCHA-TXEJJXNPSA-N 2 0 247.342 1.084 20 0 BDADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1CC[N@H+](C)C1 ZINC000817888102 586832168 /nfs/dbraw/zinc/83/21/68/586832168.db2.gz APGVWMCURJWDGY-CFVMTHIKSA-N 2 0 247.386 1.239 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H](O)c1ccccc1 ZINC000817892694 586833214 /nfs/dbraw/zinc/83/32/14/586833214.db2.gz BPLFKBFIJJHZJR-YUELXQCFSA-N 2 0 248.370 1.698 20 0 BDADRP Cc1ncc(CC[NH2+][C@H](C)C[C@@H](C)[NH3+])s1 ZINC000817915043 586839176 /nfs/dbraw/zinc/83/91/76/586839176.db2.gz GYTRRKALRHHIOW-RKDXNWHRSA-N 2 0 227.377 1.709 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCOc1cccnc1 ZINC000817893308 586834072 /nfs/dbraw/zinc/83/40/72/586834072.db2.gz QZUFORTWCCKWSJ-TZMCWYRMSA-N 2 0 249.358 1.438 20 0 BDADRP CSC(C)(C)C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000817898220 586835233 /nfs/dbraw/zinc/83/52/33/586835233.db2.gz CIRWURWZUWGVEW-RKDXNWHRSA-N 2 0 202.367 1.597 20 0 BDADRP Cc1cccc([C@H](O)C[NH2+][C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000817910546 586838047 /nfs/dbraw/zinc/83/80/47/586838047.db2.gz VUMBNBXUZAIFJW-QLFBSQMISA-N 2 0 248.370 1.745 20 0 BDADRP Cc1cccc([C@H](O)C[NH2+][C@H]2CCC[C@H]2C[NH3+])c1 ZINC000817910551 586838479 /nfs/dbraw/zinc/83/84/79/586838479.db2.gz VUMBNBXUZAIFJW-SOUVJXGZSA-N 2 0 248.370 1.745 20 0 BDADRP C[C@H](NCC[N@@H+]1CCC[C@@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000817912786 586838601 /nfs/dbraw/zinc/83/86/01/586838601.db2.gz IONVZQXFYKGTBY-IHRRRGAJSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@](O)(C[NH2+][C@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000817911410 586838643 /nfs/dbraw/zinc/83/86/43/586838643.db2.gz AEBQCEIYPGCQGJ-RDBSUJKOSA-N 2 0 234.343 1.364 20 0 BDADRP C[C@H](Cc1ccco1)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000817913854 586838916 /nfs/dbraw/zinc/83/89/16/586838916.db2.gz NGIDLANOKYUCIU-GARJFASQSA-N 2 0 210.321 1.926 20 0 BDADRP Cc1ncc(CC[NH2+][C@@H]2CCC[C@H]2C[NH3+])s1 ZINC000817916395 586839147 /nfs/dbraw/zinc/83/91/47/586839147.db2.gz XYLKDCZSWSOQBU-CMPLNLGQSA-N 2 0 239.388 1.711 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000817917285 586839172 /nfs/dbraw/zinc/83/91/72/586839172.db2.gz ANANEGMRBBFHEV-SRVKXCTJSA-N 2 0 242.363 1.388 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000817913931 586839665 /nfs/dbraw/zinc/83/96/65/586839665.db2.gz RLZLJWQBOZDVDG-JBLDHEPKSA-N 2 0 242.388 1.671 20 0 BDADRP C[C@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)C1C[NH2+]C1 ZINC000817925254 586840901 /nfs/dbraw/zinc/84/09/01/586840901.db2.gz TYAUQUAZUVHRPL-NSHDSACASA-N 2 0 248.370 1.612 20 0 BDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817950446 586846982 /nfs/dbraw/zinc/84/69/82/586846982.db2.gz YINNRKFOTDGSIL-DOMZBBRYSA-N 2 0 247.386 1.228 20 0 BDADRP c1[nH]nc2c1[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)CCC2 ZINC000817955594 586849567 /nfs/dbraw/zinc/84/95/67/586849567.db2.gz ZNIFEBXCLQJPGR-ZYHUDNBSSA-N 2 0 234.347 1.376 20 0 BDADRP CN(CC(C)(C)C[NH3+])C(=O)c1cccc(C[NH3+])c1 ZINC000818531679 586898560 /nfs/dbraw/zinc/89/85/60/586898560.db2.gz KQFARVDKSQOMLM-UHFFFAOYSA-N 2 0 249.358 1.202 20 0 BDADRP C[C@H](O)C[NH2+]CCCCCCC[NH+](C)C ZINC000819388514 586960300 /nfs/dbraw/zinc/96/03/00/586960300.db2.gz HHOFGZTUNHBPAY-LBPRGKRZSA-N 2 0 216.369 1.469 20 0 BDADRP C[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000820812136 587074071 /nfs/dbraw/zinc/07/40/71/587074071.db2.gz DSJCUEFTXVOCQU-FZMOHWGLSA-N 2 0 224.348 1.115 20 0 BDADRP Cc1ccncc1CCC[N@@H+](C)C1(CO)CC1 ZINC000827903831 587408963 /nfs/dbraw/zinc/40/89/63/587408963.db2.gz QLIVROGYTZPXCQ-UHFFFAOYSA-N 2 0 234.343 1.779 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000831971249 587640491 /nfs/dbraw/zinc/64/04/91/587640491.db2.gz UHTVMTQBSFPQAG-WCQYABFASA-N 2 0 241.379 1.104 20 0 BDADRP CCCCCC[N@H+](C)CC(=O)NCC(C)(C)[NH3+] ZINC000832796145 587690346 /nfs/dbraw/zinc/69/03/46/587690346.db2.gz AWPJDRNMKHHQKN-UHFFFAOYSA-N 2 0 243.395 1.352 20 0 BDADRP C[C@H]1C[C@@H](NC(=O)c2cccc(C[NH3+])c2)CC[NH2+]1 ZINC000834673652 587763552 /nfs/dbraw/zinc/76/35/52/587763552.db2.gz TVBNOFYXGIFXCA-GWCFXTLKSA-N 2 0 247.342 1.016 20 0 BDADRP C[C@@]1(C[NH3+])CCN(C(=O)CCCCCC[NH3+])C1 ZINC000834723183 587764886 /nfs/dbraw/zinc/76/48/86/587764886.db2.gz UQVSVGCVEHWVHD-ZDUSSCGKSA-N 2 0 241.379 1.093 20 0 BDADRP [NH3+]CCC[N@@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000841007343 587934818 /nfs/dbraw/zinc/93/48/18/587934818.db2.gz PHILTCYFODETEY-LSDHHAIUSA-N 2 0 248.370 1.923 20 0 BDADRP [NH3+]CCc1ccc(C[NH2+]CC2(C[NH3+])CC2)cc1 ZINC000841032459 587937040 /nfs/dbraw/zinc/93/70/40/587937040.db2.gz CEPSTWRQRAQLGN-UHFFFAOYSA-N 3 0 233.359 1.016 20 0 BDADRP C[NH2+]CCNCc1cnc(Cl)c(C)c1 ZINC000841035483 587937249 /nfs/dbraw/zinc/93/72/49/587937249.db2.gz KDSKUZSFHMAKNS-UHFFFAOYSA-N 2 0 213.712 1.352 20 0 BDADRP CC(C)C[C@@H]([NH3+])CNCc1ccc(CC[NH3+])cc1 ZINC000841033138 587937345 /nfs/dbraw/zinc/93/73/45/587937345.db2.gz LOPNZNSNYONFAD-OAHLLOKOSA-N 2 0 249.402 1.651 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000841035643 587937833 /nfs/dbraw/zinc/93/78/33/587937833.db2.gz LLJURNODLDVLSF-VLEAKVRGSA-N 2 0 246.445 1.693 20 0 BDADRP C([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1CCCOC1 ZINC000841089276 587945652 /nfs/dbraw/zinc/94/56/52/587945652.db2.gz KPKRPTQIWAVILI-STQMWFEESA-N 2 0 238.375 1.677 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CCCC1CCOCC1 ZINC000841085443 587945729 /nfs/dbraw/zinc/94/57/29/587945729.db2.gz CLOZOBNDBVYXRN-CYBMUJFWSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H](O)CC[N@H+](C)CCCCCCC[NH3+] ZINC000842473480 588024949 /nfs/dbraw/zinc/02/49/49/588024949.db2.gz VORCUDSSHODZCY-LBPRGKRZSA-N 2 0 216.369 1.598 20 0 BDADRP CNC(=O)[C@@H](C)C[N@H+](C)CCCCCCC[NH3+] ZINC000842473326 588028826 /nfs/dbraw/zinc/02/88/26/588028826.db2.gz VGWRJEGSQCUGIR-LBPRGKRZSA-N 2 0 243.395 1.210 20 0 BDADRP [NH3+]CCCCCCCN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000842473153 588029313 /nfs/dbraw/zinc/02/93/13/588029313.db2.gz RJLBSMRITRSLDM-UONOGXRCSA-N 3 0 239.407 1.579 20 0 BDADRP C[C@H]1C[N@H+](CCCCCCC[NH3+])[C@@H](C)CN1 ZINC000842473913 588029482 /nfs/dbraw/zinc/02/94/82/588029482.db2.gz RZFMULWJROFSMV-STQMWFEESA-N 2 0 227.396 1.578 20 0 BDADRP [NH3+]Cc1cccc(-c2nc([C@@H]3CCC[NH2+]3)no2)c1 ZINC000842645848 588048606 /nfs/dbraw/zinc/04/86/06/588048606.db2.gz NBRNBYLXDAOLIE-NSHDSACASA-N 2 0 244.298 1.620 20 0 BDADRP C([C@H]1CCCOC1)[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000843043798 588076332 /nfs/dbraw/zinc/07/63/32/588076332.db2.gz HSZHCRLFXPPRRS-GFCCVEGCSA-N 2 0 238.375 1.629 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[NH2+]C1CCC([NH3+])CC1 ZINC000843105177 588081525 /nfs/dbraw/zinc/08/15/25/588081525.db2.gz RMHQIEVNRHXRJC-MOENNCHZSA-N 3 0 213.369 1.219 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+]C2CCC([NH3+])CC2)CC[NH2+]1 ZINC000843105748 588081548 /nfs/dbraw/zinc/08/15/48/588081548.db2.gz ZZZFKRKEFBNAOJ-IALDZJHCSA-N 3 0 225.380 1.234 20 0 BDADRP CC(C)([NH3+])CNCc1ccc(CC[NH3+])cc1 ZINC000843126159 588084164 /nfs/dbraw/zinc/08/41/64/588084164.db2.gz NQLSIVRLWFBMPL-UHFFFAOYSA-N 2 0 221.348 1.015 20 0 BDADRP [NH3+]CCCCCC[NH2+]C[C@@H]1CCSC1 ZINC000843127642 588085102 /nfs/dbraw/zinc/08/51/02/588085102.db2.gz FNKNEESWFHWASF-NSHDSACASA-N 2 0 216.394 1.848 20 0 BDADRP CC[C@H]([NH2+]CCCCCC[NH3+])c1nccn1C ZINC000843340369 588100472 /nfs/dbraw/zinc/10/04/72/588100472.db2.gz BOQYXYCCMCWUHY-LBPRGKRZSA-N 2 0 238.379 1.980 20 0 BDADRP Cc1cc([C@H](C)[NH2+]CCCCCC[NH3+])nn1C ZINC000843340659 588100898 /nfs/dbraw/zinc/10/08/98/588100898.db2.gz DCAZRQBEJYLOEK-LBPRGKRZSA-N 2 0 238.379 1.898 20 0 BDADRP C[C@@H]1CCNC[C@@H]1[NH2+]CCCCCC[NH3+] ZINC000843343707 588101570 /nfs/dbraw/zinc/10/15/70/588101570.db2.gz FSOPBGDOCSKRHH-NEPJUHHUSA-N 2 0 213.369 1.093 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCCCC[NH3+] ZINC000843344100 588101654 /nfs/dbraw/zinc/10/16/54/588101654.db2.gz QMBGDENJAXPNFD-OLZOCXBDSA-N 3 0 227.396 1.483 20 0 BDADRP CCCN(CCCCCCC[NH3+])[C@H]1CC[NH2+]C1 ZINC000843349321 588102439 /nfs/dbraw/zinc/10/24/39/588102439.db2.gz URVOITRBCIXVGG-AWEZNQCLSA-N 2 0 241.423 1.970 20 0 BDADRP C[NH2+][C@@H]1CCCN(CCCCCCC[NH3+])C1 ZINC000843348712 588102775 /nfs/dbraw/zinc/10/27/75/588102775.db2.gz NROXZNUWRJCSDK-CYBMUJFWSA-N 2 0 227.396 1.579 20 0 BDADRP CCCCOC(=O)CC[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000843365390 588104340 /nfs/dbraw/zinc/10/43/40/588104340.db2.gz GSCUMRDPJQXNLH-NWDGAFQWSA-N 2 0 242.363 1.389 20 0 BDADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCCCCO ZINC000843360788 588104409 /nfs/dbraw/zinc/10/44/09/588104409.db2.gz JLFXQXKVINMZAM-AGUYFDCRSA-N 2 0 240.391 1.883 20 0 BDADRP C[C@H](c1cnccn1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364706 588104599 /nfs/dbraw/zinc/10/45/99/588104599.db2.gz LQAMOQGDKFUIDD-GFCCVEGCSA-N 2 0 246.358 1.613 20 0 BDADRP C[C@H]1NCC[N@H+](CCCCCCC[NH3+])[C@@H]1C ZINC000843377344 588104749 /nfs/dbraw/zinc/10/47/49/588104749.db2.gz OSXIPHSCSFIINF-CHWSQXEVSA-N 2 0 227.396 1.578 20 0 BDADRP [NH3+]CCCCCCNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000843512450 588117606 /nfs/dbraw/zinc/11/76/06/588117606.db2.gz LYFFIBROBJBLES-LBPRGKRZSA-N 2 0 241.379 1.154 20 0 BDADRP C[C@H]1CC[NH2+][C@@H](C(=O)NCCCCCC[NH3+])C1 ZINC000843512344 588117899 /nfs/dbraw/zinc/11/78/99/588117899.db2.gz ZFSYNXIZHRMKGS-NWDGAFQWSA-N 2 0 241.379 1.010 20 0 BDADRP C[C@@H]([NH3+])[C@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC000844197682 588173466 /nfs/dbraw/zinc/17/34/66/588173466.db2.gz OKECKJASLWCBKM-NEPJUHHUSA-N 2 0 241.379 1.104 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCCCCC[NH3+] ZINC000844200060 588173485 /nfs/dbraw/zinc/17/34/85/588173485.db2.gz HBHXKCNUVQWPEC-GFCCVEGCSA-N 2 0 241.379 1.106 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000846220439 588259927 /nfs/dbraw/zinc/25/99/27/588259927.db2.gz PIUMHWZQAVBWQY-ZDUSSCGKSA-N 3 0 225.380 1.191 20 0 BDADRP C[C@@H](N)[C@@H]1CCCC[N@@H+]1CCCCCC[NH3+] ZINC000846216095 588260331 /nfs/dbraw/zinc/26/03/31/588260331.db2.gz PKLFURDOLLNKRR-OLZOCXBDSA-N 2 0 227.396 1.707 20 0 BDADRP C[NH2+]C1CC[NH+](CCCCCC[NH3+])CC1 ZINC000846217171 588260368 /nfs/dbraw/zinc/26/03/68/588260368.db2.gz BXOBOTPCBDRREH-UHFFFAOYSA-N 3 0 213.369 1.189 20 0 BDADRP [NH3+]CCCCCC[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000846213587 588260604 /nfs/dbraw/zinc/26/06/04/588260604.db2.gz CGUFUVYXMOOSAS-UHFFFAOYSA-N 3 0 239.407 1.722 20 0 BDADRP COC(=O)C[C@H]1CCC[N@@H+]1CCCCCC[NH3+] ZINC000846221396 588261136 /nfs/dbraw/zinc/26/11/36/588261136.db2.gz YHWFMSGUTUGOIH-GFCCVEGCSA-N 2 0 242.363 1.533 20 0 BDADRP C[C@H]1C[N@H+](CCCCCC[NH3+])[C@@H](C)CN1 ZINC000846220144 588261319 /nfs/dbraw/zinc/26/13/19/588261319.db2.gz DGIBGZPJQNSXFM-RYUDHWBXSA-N 2 0 213.369 1.188 20 0 BDADRP CCC[C@@H]1C(=O)NCC[N@H+]1CCCCCC[NH3+] ZINC000846221356 588261322 /nfs/dbraw/zinc/26/13/22/588261322.db2.gz XPRVWPZMHUFWQY-GFCCVEGCSA-N 2 0 241.379 1.106 20 0 BDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C1CCCC1 ZINC000106484075 588284125 /nfs/dbraw/zinc/28/41/25/588284125.db2.gz WUMGOEMRZMOIBT-LBPRGKRZSA-N 2 0 225.380 1.155 20 0 BDADRP Cc1ncc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)s1 ZINC000848562956 588397722 /nfs/dbraw/zinc/39/77/22/588397722.db2.gz NKIUUOVWRHVNRF-PHIMTYICSA-N 2 0 239.388 1.881 20 0 BDADRP [NH3+]CCc1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000848714669 588407949 /nfs/dbraw/zinc/40/79/49/588407949.db2.gz GBLMFIXLKAYQEG-GJZGRUSLSA-N 3 0 247.386 1.547 20 0 BDADRP Cc1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000848717267 588407975 /nfs/dbraw/zinc/40/79/75/588407975.db2.gz PUTRIVXEOOFGNB-RBSFLKMASA-N 2 0 248.370 1.888 20 0 BDADRP Cc1cccc([C@H](O)C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000848720492 588408278 /nfs/dbraw/zinc/40/82/78/588408278.db2.gz YRDHRYNJFLANJB-QLFBSQMISA-N 2 0 248.370 1.888 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H](CCO)C2CC2)C1 ZINC000848719920 588408283 /nfs/dbraw/zinc/40/82/83/588408283.db2.gz OUPDHIBETOWVNB-IJLUTSLNSA-N 2 0 212.337 1.007 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H](O)c2ccco2)C1 ZINC000848719990 588408343 /nfs/dbraw/zinc/40/83/43/588408343.db2.gz QJIQOFGLEJXJLG-MXWKQRLJSA-N 2 0 224.304 1.173 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[C@H](O)c1ccccc1 ZINC000848719695 588408462 /nfs/dbraw/zinc/40/84/62/588408462.db2.gz CTQMLTMKKZCVFL-MYPMTAMASA-N 2 0 248.370 1.968 20 0 BDADRP C[C@](O)(C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000848719484 588408533 /nfs/dbraw/zinc/40/85/33/588408533.db2.gz GRLYRACWLDKKOF-ZNMIVQPWSA-N 2 0 248.370 1.754 20 0 BDADRP CCCNC(=[NH2+])NCC1([NH+](C)C)CCCCC1 ZINC000848981148 588423611 /nfs/dbraw/zinc/42/36/11/588423611.db2.gz RXTVNWLEGJMUPX-UHFFFAOYSA-N 2 0 240.395 1.775 20 0 BDADRP CC[NH+](CC)[C@@H](CNC(=[NH2+])NC)CC(C)C ZINC000848984011 588424767 /nfs/dbraw/zinc/42/47/67/588424767.db2.gz CVZIPWCLGUHGTK-LLVKDONJSA-N 2 0 228.384 1.487 20 0 BDADRP CC[C@H](CNC(=[NH2+])N[C@@H](C)CC)[NH+]1CCCC1 ZINC000848986460 588425834 /nfs/dbraw/zinc/42/58/34/588425834.db2.gz URXOTZNPAJVYFK-NWDGAFQWSA-N 2 0 240.395 1.773 20 0 BDADRP [NH2+]=C(NCC[NH+]1CCCCCC1)NC1CCC1 ZINC000848987678 588426239 /nfs/dbraw/zinc/42/62/39/588426239.db2.gz PLZZIOWWOIVOLE-UHFFFAOYSA-N 2 0 238.379 1.529 20 0 BDADRP CCNC(=[NH2+])NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000848989301 588426700 /nfs/dbraw/zinc/42/67/00/588426700.db2.gz MAQUHIMJXPGEKW-LBPRGKRZSA-N 2 0 240.395 1.775 20 0 BDADRP CC(C)CNC(=[NH2+])NCC[N@@H+]1CC[C@@H](C)C1 ZINC000849004170 588431489 /nfs/dbraw/zinc/43/14/89/588431489.db2.gz DMGNTTDKVOOLON-LLVKDONJSA-N 2 0 226.368 1.098 20 0 BDADRP CC[C@@H](C)NC(=[NH2+])NCC[N@@H+]1CC[C@H](C)C1 ZINC000849004260 588431535 /nfs/dbraw/zinc/43/15/35/588431535.db2.gz JQXRNHFKZYNXCJ-WDEREUQCSA-N 2 0 226.368 1.241 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])N1CCC1 ZINC000849006130 588432564 /nfs/dbraw/zinc/43/25/64/588432564.db2.gz XCDQBTJIGBIJBU-LLVKDONJSA-N 2 0 224.352 1.091 20 0 BDADRP CC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])N1CCC1 ZINC000849006131 588432646 /nfs/dbraw/zinc/43/26/46/588432646.db2.gz XCDQBTJIGBIJBU-NSHDSACASA-N 2 0 224.352 1.091 20 0 BDADRP CCCC[N@H+](C)CCNC(=[NH2+])NC1CCCC1 ZINC000849005522 588432777 /nfs/dbraw/zinc/43/27/77/588432777.db2.gz HUBPXLSVXRFTPG-UHFFFAOYSA-N 2 0 240.395 1.775 20 0 BDADRP CC[C@@H](C)NC(=[NH2+])NCC1(C)CC[NH+](C)CC1 ZINC000849016588 588437172 /nfs/dbraw/zinc/43/71/72/588437172.db2.gz UUWVZYPAAJJYSI-LLVKDONJSA-N 2 0 240.395 1.631 20 0 BDADRP CC[C@@H](C)NC(=[NH2+])NCc1ccc2c[nH+]cn2c1 ZINC000849040053 588447039 /nfs/dbraw/zinc/44/70/39/588447039.db2.gz HPBKESJFVWOVPM-SNVBAGLBSA-N 2 0 245.330 1.747 20 0 BDADRP CCN(CC)C(=[NH2+])NCCCC[N@H+](C)C1CC1 ZINC000849039715 588447090 /nfs/dbraw/zinc/44/70/90/588447090.db2.gz OYDIROJYRMLEQL-UHFFFAOYSA-N 2 0 240.395 1.727 20 0 BDADRP C[N@H+](CCCCNC(=[NH2+])NC1CC1)C1CC1 ZINC000849039931 588447188 /nfs/dbraw/zinc/44/71/88/588447188.db2.gz YXUXZWOGTZWNOL-UHFFFAOYSA-N 2 0 224.352 1.137 20 0 BDADRP CCCCNC(=[NH2+])NCCC[N@H+](C)CC(C)C ZINC000849047450 588450509 /nfs/dbraw/zinc/45/05/09/588450509.db2.gz WPFCRDOEBUCYRX-UHFFFAOYSA-N 2 0 242.411 1.878 20 0 BDADRP CC(C)[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000108324040 588460559 /nfs/dbraw/zinc/46/05/59/588460559.db2.gz MSHRXXRXIRZLDV-CYBMUJFWSA-N 2 0 210.365 1.964 20 0 BDADRP CO[C@@H]1CC[C@@H]([NH+]2CCC([NH+](C)C)CC2)C1 ZINC000851726218 588618117 /nfs/dbraw/zinc/61/81/17/588618117.db2.gz NRGIMBQTSYNGJE-CHWSQXEVSA-N 2 0 226.364 1.580 20 0 BDADRP CO[C@@H]1CC[C@H]([NH+]2CCC([NH+](C)C)CC2)C1 ZINC000851726220 588618282 /nfs/dbraw/zinc/61/82/82/588618282.db2.gz NRGIMBQTSYNGJE-QWHCGFSZSA-N 2 0 226.364 1.580 20 0 BDADRP CO[C@@H]1CC[C@H]([N@H+](C)CCC[NH+]2CCCC2)C1 ZINC000852009087 588654869 /nfs/dbraw/zinc/65/48/69/588654869.db2.gz YCVPPNRWMYRLAV-UONOGXRCSA-N 2 0 240.391 1.972 20 0 BDADRP COC(=O)[C@@]1(F)CC[N@H+](CCCCCC[NH3+])C1 ZINC000852753985 588700669 /nfs/dbraw/zinc/70/06/69/588700669.db2.gz WYSMBJVVQDOIHM-GFCCVEGCSA-N 2 0 246.326 1.093 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000863543854 589296881 /nfs/dbraw/zinc/29/68/81/589296881.db2.gz DSRRXIXMZWBSNO-NEPJUHHUSA-N 2 0 212.337 1.001 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000863543114 589296953 /nfs/dbraw/zinc/29/69/53/589296953.db2.gz KUHKWFPQUOQMHP-MROQNXINSA-N 2 0 208.349 1.905 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H](C)CSC(C)(C)C ZINC000863542998 589297369 /nfs/dbraw/zinc/29/73/69/589297369.db2.gz JOZJZMSOSGKMQJ-LLVKDONJSA-N 2 0 248.436 1.732 20 0 BDADRP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCCCCC[NH3+])C2 ZINC000863560617 589299073 /nfs/dbraw/zinc/29/90/73/589299073.db2.gz MRORDKSYJLPISI-OKILXGFUSA-N 3 0 239.407 1.437 20 0 BDADRP CO[C@@H](CN(C)C[C@@H](C)[NH3+])C1CCCCC1 ZINC000863568386 589300352 /nfs/dbraw/zinc/30/03/52/589300352.db2.gz KFZMKKKKDMRVGU-YPMHNXCESA-N 2 0 228.380 1.861 20 0 BDADRP Cn1ccc(C[NH2+]Cc2ccc(CC[NH3+])cc2)c1 ZINC000863642190 589306904 /nfs/dbraw/zinc/30/69/04/589306904.db2.gz VLXTZCHZXUJYMZ-UHFFFAOYSA-N 2 0 243.354 1.816 20 0 BDADRP CC[NH+](CC)CCCNC(=[NH2+])N[C@@H]1C[C@@H]1C ZINC000864451546 589365070 /nfs/dbraw/zinc/36/50/70/589365070.db2.gz HLXNGOSGEJQVLR-WDEREUQCSA-N 2 0 226.368 1.241 20 0 BDADRP CC[N@H+](CCNC(=[NH2+])N[C@H]1C[C@H]1C)C(C)C ZINC000864456775 589367285 /nfs/dbraw/zinc/36/72/85/589367285.db2.gz MHIVGPIGVKZECD-MNOVXSKESA-N 2 0 226.368 1.239 20 0 BDADRP CCC(CC)NC(=[NH2+])NCC[N@H+](C)C(C)C ZINC000864456956 589367474 /nfs/dbraw/zinc/36/74/74/589367474.db2.gz NZMDLVAATIIJIX-UHFFFAOYSA-N 2 0 228.384 1.629 20 0 BDADRP CCCC[N@H+](C)CCNC(=[NH2+])NCCC1CC1 ZINC000864458644 589368316 /nfs/dbraw/zinc/36/83/16/589368316.db2.gz PTDBUIPKQVGGFX-UHFFFAOYSA-N 2 0 240.395 1.632 20 0 BDADRP CC(C)(C)[NH2+]CCNC(=[NH2+])NCCC1CC1 ZINC000864458543 589368487 /nfs/dbraw/zinc/36/84/87/589368487.db2.gz NHSKANFJGGEUJF-UHFFFAOYSA-N 2 0 226.368 1.289 20 0 BDADRP CC[C@H](C[C@@H](C)O)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000865875066 589466769 /nfs/dbraw/zinc/46/67/69/589466769.db2.gz AVVXTIRFFZPMJJ-UPJWGTAASA-N 2 0 242.407 1.998 20 0 BDADRP Cc1c[nH+]ccc1N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866208549 589480495 /nfs/dbraw/zinc/48/04/95/589480495.db2.gz NQYLPEIVXVZUOX-GXTWGEPZSA-N 2 0 231.343 1.920 20 0 BDADRP C[C@H](CCc1cccnc1)[NH2+]CCC[NH+](C)C ZINC000866214112 589480978 /nfs/dbraw/zinc/48/09/78/589480978.db2.gz JBFGIEXXIFELLW-CYBMUJFWSA-N 2 0 235.375 1.944 20 0 BDADRP C[C@@H]1C[C@@H](N)C[N@@H+]1CCCCCCC[NH3+] ZINC000866681988 589507491 /nfs/dbraw/zinc/50/74/91/589507491.db2.gz DPCFOBIZOTYPAW-VXGBXAGGSA-N 2 0 213.369 1.317 20 0 BDADRP CC1(C)CCNCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000866699736 589512932 /nfs/dbraw/zinc/51/29/32/589512932.db2.gz UZGKWHMTUPAKQZ-UHFFFAOYSA-N 2 0 239.407 1.450 20 0 BDADRP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc(N)c3)CC[C@H]21 ZINC000866703716 589513269 /nfs/dbraw/zinc/51/32/69/589513269.db2.gz KTYGXBKQAHCKKH-DZGCQCFKSA-N 2 0 245.370 1.795 20 0 BDADRP CCOCC[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866703628 589513771 /nfs/dbraw/zinc/51/37/71/589513771.db2.gz MWWAEGUNYCVKCP-ZDUSSCGKSA-N 2 0 228.380 1.720 20 0 BDADRP CC[NH2+]CC(=O)N1c2ccccc2[C@H]([NH3+])C1(C)C ZINC000867988868 589542649 /nfs/dbraw/zinc/54/26/49/589542649.db2.gz WIBLWOPNZWUVEK-ZDUSSCGKSA-N 2 0 247.342 1.421 20 0 BDADRP C[C@H]1C[C@@H](C[NH3+])CN1Cc1cnc(Cl)s1 ZINC000122360425 589583020 /nfs/dbraw/zinc/58/30/20/589583020.db2.gz IGGRWGFRCYDBFO-YUMQZZPRSA-N 2 0 245.779 1.966 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000870988210 589707112 /nfs/dbraw/zinc/70/71/12/589707112.db2.gz JAIWMJXNUQNTSW-GWCFXTLKSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@H]1CC2(CCC2)CO1 ZINC000872144626 589883861 /nfs/dbraw/zinc/88/38/61/589883861.db2.gz IBNBVIFDDNVNRW-FRRDWIJNSA-N 2 0 238.375 1.757 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CC3(CCC3)CO2)C[C@H]1C[NH3+] ZINC000872145580 589884118 /nfs/dbraw/zinc/88/41/18/589884118.db2.gz UTNRMSAUQWWAJN-JHJVBQTASA-N 2 0 238.375 1.472 20 0 BDADRP C[NH2+]CCC[N@@H+]1CC[C@@H](c2nc(C)cs2)C1 ZINC000872149398 589884775 /nfs/dbraw/zinc/88/47/75/589884775.db2.gz VTGPUIWYBHMXGN-LLVKDONJSA-N 2 0 239.388 1.850 20 0 BDADRP C[N@H+](CCCCCC[NH3+])Cc1ccnc(N)c1 ZINC000872155078 589886432 /nfs/dbraw/zinc/88/64/32/589886432.db2.gz BTYBGKVMIIABSZ-UHFFFAOYSA-N 2 0 236.363 1.615 20 0 BDADRP CN(CC[NH+](C)C)c1cc[nH+]cc1C1CC1 ZINC000872471406 589942255 /nfs/dbraw/zinc/94/22/55/589942255.db2.gz OZMKRTVJEHHJRB-UHFFFAOYSA-N 2 0 219.332 1.957 20 0 BDADRP CC(C)[C@H](C[NH3+])C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000873209596 589995082 /nfs/dbraw/zinc/99/50/82/589995082.db2.gz PVYMHAPSUGYIPZ-KGLIPLIRSA-N 3 0 239.407 1.293 20 0 BDADRP C[C@@H]([NH3+])[C@@H](C)NCc1cc2c(s1)CC[NH2+]C2 ZINC000873213437 589997528 /nfs/dbraw/zinc/99/75/28/589997528.db2.gz ZMOODAGUKLPHQY-RKDXNWHRSA-N 2 0 239.388 1.219 20 0 BDADRP [NH3+][C@@H]1C[C@H]1c1ccc(NCC2CC[NH2+]CC2)cc1 ZINC000873214866 589997946 /nfs/dbraw/zinc/99/79/46/589997946.db2.gz LGMDTKHKVIPGIF-LSDHHAIUSA-N 2 0 245.370 1.913 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000873218050 589999069 /nfs/dbraw/zinc/99/90/69/589999069.db2.gz XVPFTYOBFVHPPM-VZKILSJISA-N 2 0 238.375 1.373 20 0 BDADRP C[C@@H]([NH2+]CC[NH2+]C(C)(C)C)C1CC[NH2+]CC1 ZINC000873220864 589999269 /nfs/dbraw/zinc/99/92/69/589999269.db2.gz VHSKYGBLYDCCTK-LLVKDONJSA-N 3 0 227.396 1.352 20 0 BDADRP C[N@@H+]1CC[C@@H]2CN(C[C@]3(C)CC[NH2+]C3)CC[C@H]21 ZINC000873221832 589999340 /nfs/dbraw/zinc/99/93/40/589999340.db2.gz RKOCQKONDVINDX-MGPQQGTHSA-N 3 0 237.391 1.012 20 0 BDADRP C([NH2+][C@@]12CCC[C@@H]1[NH2+]CC2)[C@@H]1CCCOC1 ZINC000873229881 590001415 /nfs/dbraw/zinc/00/14/15/590001415.db2.gz IDIZLBXPSBHZGD-RWMBFGLXSA-N 2 0 224.348 1.287 20 0 BDADRP C[C@H]1C[C@@H](C[N@H+](C)CCCCCC[NH3+])CC[NH2+]1 ZINC000873231428 590003248 /nfs/dbraw/zinc/00/32/48/590003248.db2.gz IUICLOSHEWCZTH-KBPBESRZSA-N 3 0 241.423 1.825 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000873234928 590004205 /nfs/dbraw/zinc/00/42/05/590004205.db2.gz HKEHZOTXXCGHPJ-GFCCVEGCSA-N 3 0 247.386 1.549 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1F ZINC000873239061 590005049 /nfs/dbraw/zinc/00/50/49/590005049.db2.gz MZQOGNPKKOLENL-XWLWVQCSSA-N 2 0 202.317 1.983 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000873238834 590005583 /nfs/dbraw/zinc/00/55/83/590005583.db2.gz HOGMGBVZCIWKOY-QMNVILFCSA-N 2 0 224.348 1.125 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1F ZINC000873239620 590005735 /nfs/dbraw/zinc/00/57/35/590005735.db2.gz ZEQKNGMYUISLOH-WRWGMCAJSA-N 2 0 214.328 1.984 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccnc(F)c1 ZINC000873243547 590006519 /nfs/dbraw/zinc/00/65/19/590006519.db2.gz YCWQLDFOWSFPQB-ZYHUDNBSSA-N 2 0 237.322 1.698 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000873249068 590007464 /nfs/dbraw/zinc/00/74/64/590007464.db2.gz ICBXMNGXYULHMX-MEBFFEOJSA-N 3 0 237.391 1.234 20 0 BDADRP CC(C)O[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C1(C)C ZINC000873249503 590007674 /nfs/dbraw/zinc/00/76/74/590007674.db2.gz APLMUJZWUFOGIX-RNJOBUHISA-N 2 0 240.391 1.905 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(F)cn1 ZINC000873250664 590008703 /nfs/dbraw/zinc/00/87/03/590008703.db2.gz IKWWDNKJBKHMBP-KKZNHRDASA-N 2 0 223.295 1.609 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000873252924 590009094 /nfs/dbraw/zinc/00/90/94/590009094.db2.gz SNLLAPXVUIPTFQ-IMIFBBOLSA-N 2 0 240.391 1.765 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCCSC2)C1 ZINC000873252209 590009223 /nfs/dbraw/zinc/00/92/23/590009223.db2.gz QDDRLFAIYAUWBN-KXUCPTDWSA-N 2 0 200.351 1.209 20 0 BDADRP CC1(C)[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)[C@H]2CCCO[C@@H]21 ZINC000873255106 590010196 /nfs/dbraw/zinc/01/01/96/590010196.db2.gz DDNZGMSXNNXQKH-VEGXAWMVSA-N 2 0 238.375 1.517 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccncc1 ZINC000873255011 590010351 /nfs/dbraw/zinc/01/03/51/590010351.db2.gz CVPVLHZOBHXRSE-DRZSPHRISA-N 2 0 219.332 1.860 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000873255957 590010880 /nfs/dbraw/zinc/01/08/80/590010880.db2.gz LFXWVKOGTSMFBP-TXEJJXNPSA-N 3 0 225.380 1.188 20 0 BDADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000873256647 590011838 /nfs/dbraw/zinc/01/18/38/590011838.db2.gz BTFBMSHLGQTCMA-KCPJHIHWSA-N 2 0 230.355 1.871 20 0 BDADRP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873257338 590012246 /nfs/dbraw/zinc/01/22/46/590012246.db2.gz GXILHBQUBHAMIM-FBIMIBRVSA-N 2 0 222.336 1.116 20 0 BDADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000873257852 590012558 /nfs/dbraw/zinc/01/25/58/590012558.db2.gz VJUXLGSPCLOTMB-HAQNSBGRSA-N 3 0 239.407 1.576 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCC[NH2+]1 ZINC000873260470 590013291 /nfs/dbraw/zinc/01/32/91/590013291.db2.gz AZNBMWQHCNGMJK-RKQHYHRCSA-N 3 0 237.391 1.247 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCC[NH2+]1 ZINC000873260467 590013404 /nfs/dbraw/zinc/01/34/04/590013404.db2.gz AZNBMWQHCNGMJK-HPCHECBXSA-N 3 0 237.391 1.247 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)O1 ZINC000873262343 590014144 /nfs/dbraw/zinc/01/41/44/590014144.db2.gz XHJZQUQHVCGBDN-WZBKEBKWSA-N 2 0 238.375 1.673 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000873265359 590014636 /nfs/dbraw/zinc/01/46/36/590014636.db2.gz VGXNJEQFJAGSBK-PEBLQZBPSA-N 2 0 238.375 1.674 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCO1 ZINC000873265156 590014861 /nfs/dbraw/zinc/01/48/61/590014861.db2.gz UQHXMVCSYHUDCQ-HPCHECBXSA-N 2 0 238.375 1.674 20 0 BDADRP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873263554 590015031 /nfs/dbraw/zinc/01/50/31/590015031.db2.gz JKZHJGSLVFLNPE-RKQHYHRCSA-N 2 0 237.391 1.057 20 0 BDADRP Cc1nccnc1[C@H](C)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873271184 590015948 /nfs/dbraw/zinc/01/59/48/590015948.db2.gz FVDZGDZHSUEWPZ-JQWIXIFHSA-N 2 0 248.374 1.824 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873272085 590015987 /nfs/dbraw/zinc/01/59/87/590015987.db2.gz PLSVNLACQWFQCI-VWYCJHECSA-N 3 0 213.369 1.090 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873270221 590016004 /nfs/dbraw/zinc/01/60/04/590016004.db2.gz PLSVNLACQWFQCI-HBNTYKKESA-N 3 0 213.369 1.090 20 0 BDADRP C[C@H]([NH2+][C@H]1CCCCC[C@H]1[NH3+])C1CC[NH2+]CC1 ZINC000873273278 590016744 /nfs/dbraw/zinc/01/67/44/590016744.db2.gz ZVTDNEHBOZBISJ-YUTCNCBUSA-N 3 0 239.407 1.624 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000873281200 590018253 /nfs/dbraw/zinc/01/82/53/590018253.db2.gz HBNJYUIGONKYPF-HTVCTNPSSA-N 2 0 238.375 1.661 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C1 ZINC000873281599 590018518 /nfs/dbraw/zinc/01/85/18/590018518.db2.gz MLOHZWJUMMRLLR-NDKCEZKHSA-N 2 0 238.375 1.804 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCC[C@@H]2CCOC2=O)C1 ZINC000873283627 590019603 /nfs/dbraw/zinc/01/96/03/590019603.db2.gz YKYPPBXFFLCUBB-UTUOFQBUSA-N 2 0 240.347 1.189 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc2oc(=O)[nH]c2c1 ZINC000873285086 590020090 /nfs/dbraw/zinc/02/00/90/590020090.db2.gz XXTKQWDHJQJTJU-BDAKNGLRSA-N 2 0 249.314 1.749 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(N)cc(F)c1 ZINC000873291551 590022890 /nfs/dbraw/zinc/02/28/90/590022890.db2.gz XDHUCYNGWIJOIO-BDAKNGLRSA-N 2 0 225.311 1.623 20 0 BDADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H]1C[C@H](O)C1 ZINC000873297278 590025088 /nfs/dbraw/zinc/02/50/88/590025088.db2.gz VNRIMTPNQFWOBJ-IRUJWGPZSA-N 2 0 249.358 1.270 20 0 BDADRP CCCC[NH2+]CCCN1CC[NH+](C)CC1 ZINC000020128473 590077719 /nfs/dbraw/zinc/07/77/19/590077719.db2.gz PCEBTOFPNKYSCL-UHFFFAOYSA-N 2 0 213.369 1.014 20 0 BDADRP CC[NH2+][C@H](C)C(=O)N1CCC[C@@H]1c1ncc[nH]1 ZINC000876903743 590255355 /nfs/dbraw/zinc/25/53/55/590255355.db2.gz PDPMZQMIPXPMNC-NXEZZACHSA-N 2 0 236.319 1.071 20 0 BDADRP C[C@@H]1CC[C@@H](NC(=O)CCCCCC[NH3+])C[NH2+]1 ZINC000877048228 590274320 /nfs/dbraw/zinc/27/43/20/590274320.db2.gz IJCAIBJKXKEQIQ-VXGBXAGGSA-N 2 0 241.379 1.152 20 0 BDADRP CCCCCC[N@H+](C)CC(=O)N(C)C[C@H](C)[NH3+] ZINC000877103497 590283702 /nfs/dbraw/zinc/28/37/02/590283702.db2.gz VSZJNNLVUBBCJR-LBPRGKRZSA-N 2 0 243.395 1.304 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000877665407 590388711 /nfs/dbraw/zinc/38/87/11/590388711.db2.gz UNYYGVHGJHWRFC-UTUOFQBUSA-N 2 0 226.364 1.077 20 0 BDADRP CSC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000127291228 590614750 /nfs/dbraw/zinc/61/47/50/590614750.db2.gz FURIPEWXLZHMOP-YEJSDXFRSA-N 2 0 228.405 1.953 20 0 BDADRP CSC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000127305448 590617014 /nfs/dbraw/zinc/61/70/14/590617014.db2.gz XLVXGWUHFDDXOW-IVZWLZJFSA-N 2 0 202.367 1.455 20 0 BDADRP CCc1cc(N2CC[C@H]([C@@H](C)[NH3+])C2)nc(C)n1 ZINC000127322941 590620911 /nfs/dbraw/zinc/62/09/11/590620911.db2.gz QDSBUXBUBKMVKS-KOLCDFICSA-N 2 0 234.347 1.521 20 0 BDADRP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCCC2CC2)C1 ZINC000878866772 590635386 /nfs/dbraw/zinc/63/53/86/590635386.db2.gz WZBBQHGUYHFTFN-AWEZNQCLSA-N 2 0 240.391 1.565 20 0 BDADRP COCC[N@H+](CCF)CC1CC[NH+](C)CC1 ZINC000879126118 590699579 /nfs/dbraw/zinc/69/95/79/590699579.db2.gz SYTCHALEBRFQDQ-UHFFFAOYSA-N 2 0 232.343 1.246 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](CC3(C)COC3)CC[C@H]21 ZINC000879574274 590812212 /nfs/dbraw/zinc/81/22/12/590812212.db2.gz YWKIONMQJYZVGP-VXGBXAGGSA-N 2 0 224.348 1.049 20 0 BDADRP CC(C)C[N@H+](CCCO)CC1CC[NH+](C)CC1 ZINC000879701828 590852804 /nfs/dbraw/zinc/85/28/04/590852804.db2.gz BXGNGVZUXPCCKY-UHFFFAOYSA-N 2 0 242.407 1.669 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CN1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880142969 590943761 /nfs/dbraw/zinc/94/37/61/590943761.db2.gz WYABWXQEBJVFQF-MCIONIFRSA-N 2 0 237.391 1.249 20 0 BDADRP CC1(C[NH+]2CCC(C)([NH+]3CCC3)CC2)COC1 ZINC000880472838 591053344 /nfs/dbraw/zinc/05/33/44/591053344.db2.gz FGZWZVUAEDYMFH-UHFFFAOYSA-N 2 0 238.375 1.583 20 0 BDADRP C(C[NH+]1CCCCCC1)N[C@H]1CCC[NH2+]CC1 ZINC000129177587 591266838 /nfs/dbraw/zinc/26/68/38/591266838.db2.gz SLSBVNJCKTZJDB-AWEZNQCLSA-N 2 0 239.407 1.594 20 0 BDADRP Cc1c[nH+]ccc1N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000130996681 591540594 /nfs/dbraw/zinc/54/05/94/591540594.db2.gz MDWNNHYBGCWLLN-XQQFMLRXSA-N 2 0 231.343 1.954 20 0 BDADRP CC[NH+]1CCC(N(C)C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000883423705 591659117 /nfs/dbraw/zinc/65/91/17/591659117.db2.gz SBZSVQBEEFQSNM-RYUDHWBXSA-N 2 0 243.370 1.103 20 0 BDADRP CC[N@@H+]1C[C@@H](C)N(C[C@@H]2C[C@H](F)C[NH2+]2)C[C@H]1C ZINC000883430729 591661641 /nfs/dbraw/zinc/66/16/41/591661641.db2.gz AZWYRQXLRGTNNR-NDBYEHHHSA-N 2 0 243.370 1.101 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1ccc2c(c1)COC2 ZINC000883442677 591669844 /nfs/dbraw/zinc/66/98/44/591669844.db2.gz QFFNVEJYPXTOQT-KGLIPLIRSA-N 2 0 246.354 1.932 20 0 BDADRP CCCCOC(=O)CC[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000883442857 591670035 /nfs/dbraw/zinc/67/00/35/591670035.db2.gz UOMCBEDNSDWBKQ-QWRGUYRKSA-N 2 0 242.363 1.435 20 0 BDADRP [NH3+][C@H]1C[C@H](NCC[NH+]2CCCC2)c2ccccc21 ZINC000131930629 591678248 /nfs/dbraw/zinc/67/82/48/591678248.db2.gz GDKGRTVFQLJSDF-GJZGRUSLSA-N 2 0 245.370 1.817 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]C2CCOCC2)c2ccccc21 ZINC000131981965 591682450 /nfs/dbraw/zinc/68/24/50/591682450.db2.gz DLOPNMXUBUBJRR-KGLIPLIRSA-N 2 0 232.327 1.900 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)[C@H](CC(C)C)[NH2+]C ZINC000884038997 591821289 /nfs/dbraw/zinc/82/12/89/591821289.db2.gz ASMIDXGIFCAGCS-NSHDSACASA-N 2 0 243.395 1.254 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)[C@H]([NH3+])CC2CC2)cc1 ZINC000884253334 591885219 /nfs/dbraw/zinc/88/52/19/591885219.db2.gz HKLPELALOAIHRS-GFCCVEGCSA-N 2 0 233.315 1.211 20 0 BDADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N(C)CC(C)(C)[NH3+] ZINC000884396373 591924488 /nfs/dbraw/zinc/92/44/88/591924488.db2.gz BCNIYBHVCWLVHQ-SNVBAGLBSA-N 2 0 243.395 1.192 20 0 BDADRP COCC[N@H+](C)CCCNCc1cc(C)co1 ZINC000885922964 592109181 /nfs/dbraw/zinc/10/91/81/592109181.db2.gz MKCFWDKSWYEKMN-UHFFFAOYSA-N 2 0 240.347 1.646 20 0 BDADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1ncco1 ZINC000886532517 592248561 /nfs/dbraw/zinc/24/85/61/592248561.db2.gz KJPDLHFWRZMGIV-JTQLQIEISA-N 2 0 211.309 1.667 20 0 BDADRP CCN(CC[C@@H]1CCC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000886848989 592363933 /nfs/dbraw/zinc/36/39/33/592363933.db2.gz XLIDESIODODCLP-STQMWFEESA-N 2 0 225.380 1.060 20 0 BDADRP CCN(CCCCCC[NH3+])[C@@H]1CC[NH2+]C1 ZINC000886847040 592364616 /nfs/dbraw/zinc/36/46/16/592364616.db2.gz XKOUUXJYHGMWMV-GFCCVEGCSA-N 2 0 213.369 1.189 20 0 BDADRP CCN(CCC1CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC000886850708 592368496 /nfs/dbraw/zinc/36/84/96/592368496.db2.gz QAKTVSQZBWEXIY-CYBMUJFWSA-N 2 0 225.380 1.060 20 0 BDADRP c1n[nH]cc1CC[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886876194 592378910 /nfs/dbraw/zinc/37/89/10/592378910.db2.gz WBTJPNTUAMUXRG-CQSZACIVSA-N 2 0 248.374 1.418 20 0 BDADRP COCCC[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887130300 592448387 /nfs/dbraw/zinc/44/83/87/592448387.db2.gz BBMVVXDMCFSACK-ZDUSSCGKSA-N 2 0 249.358 1.629 20 0 BDADRP COC[C@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887132863 592448818 /nfs/dbraw/zinc/44/88/18/592448818.db2.gz OTEFBLZVQZEAIV-STQMWFEESA-N 2 0 249.358 1.627 20 0 BDADRP CC(C)C[C@H](CNC(=[NH2+])NCC1CC1)[NH+](C)C ZINC000887347110 592484463 /nfs/dbraw/zinc/48/44/63/592484463.db2.gz GQXGMVBHIGCFAQ-GFCCVEGCSA-N 2 0 240.395 1.487 20 0 BDADRP C[C@@H]1CCC[N@H+](CCNC(=[NH2+])NCC2CC2)C1 ZINC000887348757 592484720 /nfs/dbraw/zinc/48/47/20/592484720.db2.gz WCIKRULCSVKTOA-LLVKDONJSA-N 2 0 238.379 1.242 20 0 BDADRP C[C@H]1CCC[N@H+](CCNC(=[NH2+])NCC(F)F)C1 ZINC000887348836 592485725 /nfs/dbraw/zinc/48/57/25/592485725.db2.gz YZQRHMGZZIQJIV-VIFPVBQESA-N 2 0 248.321 1.097 20 0 BDADRP C[C@@H](CNC(=[NH2+])NCC(F)F)C[NH+]1CCCC1 ZINC000887351599 592486238 /nfs/dbraw/zinc/48/62/38/592486238.db2.gz VFQGTDIITSLCLR-VIFPVBQESA-N 2 0 248.321 1.097 20 0 BDADRP CC(C)C[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300239268 592505266 /nfs/dbraw/zinc/50/52/66/592505266.db2.gz RSUHEZZYLHZUQD-RDBSUJKOSA-N 2 0 240.391 1.610 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)CCO1 ZINC000925706120 634388882 /nfs/dbraw/zinc/38/88/82/634388882.db2.gz LSJOFJHMOBMHSR-JHJVBQTASA-N 2 0 238.375 1.818 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000925707992 634398750 /nfs/dbraw/zinc/39/87/50/634398750.db2.gz QOMYXDQNMBJETI-ACWZMKFCSA-N 2 0 220.360 1.890 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](C[C@H](O)CC2CCCC2)C1 ZINC000299995819 634403798 /nfs/dbraw/zinc/40/37/98/634403798.db2.gz MTADJXULERDSCG-QWHCGFSZSA-N 2 0 226.364 1.208 20 0 BDADRP CC[C@@H](O)C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925710086 634407568 /nfs/dbraw/zinc/40/75/68/634407568.db2.gz PYZSHYKFKBQSEA-WISYIIOYSA-N 2 0 226.364 1.124 20 0 BDADRP Cc1cc(N)cc(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925710583 634407683 /nfs/dbraw/zinc/40/76/83/634407683.db2.gz QGFBPYNQNPATPF-ZIAGYGMSSA-N 2 0 245.370 1.937 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925712927 634417408 /nfs/dbraw/zinc/41/74/08/634417408.db2.gz VZZNEVGAUXXHEK-VXGBXAGGSA-N 3 0 225.380 1.378 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925716030 634444615 /nfs/dbraw/zinc/44/46/15/634444615.db2.gz OGIRRMSIYKWIBA-RWMBFGLXSA-N 2 0 241.423 1.855 20 0 BDADRP C([C@H]1CCCCO1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257701866 634473196 /nfs/dbraw/zinc/47/31/96/634473196.db2.gz QIUYQCIHLWCTDT-CYBMUJFWSA-N 2 0 238.375 1.631 20 0 BDADRP C([C@@H]1CCCCO1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257701867 634473907 /nfs/dbraw/zinc/47/39/07/634473907.db2.gz QIUYQCIHLWCTDT-ZDUSSCGKSA-N 2 0 238.375 1.631 20 0 BDADRP C[C@@]1(C[NH2+][C@@H]2CCCc3n[nH]cc32)CCC[NH2+]C1 ZINC000335487487 634476519 /nfs/dbraw/zinc/47/65/19/634476519.db2.gz LWWGFJLWLYKEQN-TZMCWYRMSA-N 2 0 248.374 1.766 20 0 BDADRP C([C@@H]1CCCCO1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257731722 634486041 /nfs/dbraw/zinc/48/60/41/634486041.db2.gz XHAZDQVFOVRNOO-UONOGXRCSA-N 2 0 238.375 1.631 20 0 BDADRP CO[C@@H]1CCC[C@@H]1[NH2+]CCC[NH+](C)C ZINC000125734746 635148672 /nfs/dbraw/zinc/14/86/72/635148672.db2.gz MEBUYZDEDAOCKI-WDEREUQCSA-N 2 0 200.326 1.095 20 0 BDADRP CC1(C)[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925727181 634524896 /nfs/dbraw/zinc/52/48/96/634524896.db2.gz NEXJEFOPYPHRQE-KVSVUVNWSA-N 3 0 237.391 1.090 20 0 BDADRP Cc1cc(N)nc(N2CCC[C@@H]([NH+](C)C)CC2)[nH+]1 ZINC000893491214 634529281 /nfs/dbraw/zinc/52/92/81/634529281.db2.gz GPMSVOJWEKWYKT-LLVKDONJSA-N 2 0 249.362 1.288 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)C12CCC2 ZINC000925736210 634589338 /nfs/dbraw/zinc/58/93/38/634589338.db2.gz ZUBUKTWLFCAING-LURQLKTLSA-N 2 0 234.265 1.797 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+]CCC(C)(C)[NH3+])C1 ZINC000925738265 634596468 /nfs/dbraw/zinc/59/64/68/634596468.db2.gz PPXAXOJDQKHKEO-GHMZBOCLSA-N 2 0 214.353 1.661 20 0 BDADRP CC(C)CNC(=[NH2+])NCC[N@H+](C)C(C)C ZINC000054108809 635389273 /nfs/dbraw/zinc/38/92/73/635389273.db2.gz XBTJCMIAUQRNGB-UHFFFAOYSA-N 2 0 214.357 1.097 20 0 BDADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]1[C@@H]1C[C@H]1C ZINC000925824175 635413214 /nfs/dbraw/zinc/41/32/14/635413214.db2.gz QUPSSHFSMKJHKT-GDJPEOAQSA-N 2 0 238.375 1.373 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000227080363 635446201 /nfs/dbraw/zinc/44/62/01/635446201.db2.gz LEPJDCJKGYXEEW-YNEHKIRRSA-N 2 0 226.364 1.485 20 0 BDADRP CS[C@@H](CO)[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000228327259 635458910 /nfs/dbraw/zinc/45/89/10/635458910.db2.gz KYZRBKYIUIVPBV-PWSUYJOCSA-N 2 0 246.420 1.030 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000925832249 635472230 /nfs/dbraw/zinc/47/22/30/635472230.db2.gz MLMCFBZIBFHZQM-FDYHWXHSSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)[C@H]1CCCO1 ZINC000925839865 635504665 /nfs/dbraw/zinc/50/46/65/635504665.db2.gz FCRAHJDAGJOHFG-REWJHTLYSA-N 2 0 238.375 1.676 20 0 BDADRP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)[C@@H]1CCCO1 ZINC000925839866 635505178 /nfs/dbraw/zinc/50/51/78/635505178.db2.gz FCRAHJDAGJOHFG-XJFOESAGSA-N 2 0 238.375 1.676 20 0 BDADRP CCC[C@@H](C)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925847634 635524558 /nfs/dbraw/zinc/52/45/58/635524558.db2.gz ZGXKAPORFWMXDN-CQSZACIVSA-N 2 0 241.423 1.840 20 0 BDADRP CC[NH+](CC)[C@H]1CCN(C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000233456983 635537240 /nfs/dbraw/zinc/53/72/40/635537240.db2.gz JLQXAVGVKBXMFY-RDBSUJKOSA-N 2 0 239.407 1.258 20 0 BDADRP CCCC[C@H](COC)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925875247 635597613 /nfs/dbraw/zinc/59/76/13/635597613.db2.gz DNKVUSHISDDWCI-FRRDWIJNSA-N 2 0 228.380 1.909 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C1(C)C ZINC000925875687 635598342 /nfs/dbraw/zinc/59/83/42/635598342.db2.gz LZZCCCXAAQMGFV-YVECIDJPSA-N 2 0 240.391 1.907 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCOC2CCOCC2)C1 ZINC000925878798 635604444 /nfs/dbraw/zinc/60/44/44/635604444.db2.gz ZXGHZYILUKFIJJ-VXGBXAGGSA-N 2 0 242.363 1.042 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000925880359 635608390 /nfs/dbraw/zinc/60/83/90/635608390.db2.gz PZFREUDOWGUGJM-RYDUCSDGSA-N 2 0 208.349 1.892 20 0 BDADRP CC(C)(C)SCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000308787812 631648194 /nfs/dbraw/zinc/64/81/94/631648194.db2.gz HBRJPAWPJBHHRR-GHMZBOCLSA-N 2 0 228.405 1.669 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CCCO1 ZINC000251820632 631714757 /nfs/dbraw/zinc/71/47/57/631714757.db2.gz OYGYTWWCMINTHW-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H]([NH2+]CCC(C)(C)[NH3+])C1CCOCC1 ZINC000308934668 631748218 /nfs/dbraw/zinc/74/82/18/631748218.db2.gz CKLZWUMNZLKUDX-SNVBAGLBSA-N 2 0 214.353 1.519 20 0 BDADRP C1=CC[C@@H]2C[N@@H+](C[C@H]3CC[NH2+]C3)C[C@@H]2C1 ZINC000308961822 631771307 /nfs/dbraw/zinc/77/13/07/631771307.db2.gz ZUBYDQJDRXYBKY-RWMBFGLXSA-N 2 0 206.333 1.494 20 0 BDADRP Cc1nnsc1CN1CCC[C@@H](C[NH3+])C1 ZINC000309004910 631798809 /nfs/dbraw/zinc/79/88/09/631798809.db2.gz TZFWLJVDKQLGHK-VIFPVBQESA-N 2 0 226.349 1.017 20 0 BDADRP C[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000309060178 631834606 /nfs/dbraw/zinc/83/46/06/631834606.db2.gz XIZFDLMKCJJTLR-OLZOCXBDSA-N 2 0 226.364 1.175 20 0 BDADRP Cc1n[nH]cc1C[NH2+]C1CCC([NH3+])CC1 ZINC000051693957 631868107 /nfs/dbraw/zinc/86/81/07/631868107.db2.gz PHMJPTRPYBLVIO-UHFFFAOYSA-N 2 0 208.309 1.078 20 0 BDADRP CC[N@H+](CC[C@@H]1CCC[NH2+]C1)C[C@@H]1CCCO1 ZINC000051919146 632012327 /nfs/dbraw/zinc/01/23/27/632012327.db2.gz TXJKBNNMAWNWEF-KBPBESRZSA-N 2 0 240.391 1.877 20 0 BDADRP CC[NH+](CC)CCCNC(=[NH2+])NCC(C)C ZINC000052041273 632052057 /nfs/dbraw/zinc/05/20/57/632052057.db2.gz FPDHLUPJLWMYSI-UHFFFAOYSA-N 2 0 228.384 1.488 20 0 BDADRP CCCNC(=[NH2+])NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000052043282 632053084 /nfs/dbraw/zinc/05/30/84/632053084.db2.gz RMSGYSUDPRNDJT-NSHDSACASA-N 2 0 226.368 1.241 20 0 BDADRP CCNC(=[NH2+])NCCC[N@H+](C)C1CCCCC1 ZINC000052042661 632054556 /nfs/dbraw/zinc/05/45/56/632054556.db2.gz MZLZRKOBEIWPFZ-UHFFFAOYSA-N 2 0 240.395 1.775 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC1CCCC1 ZINC000052046943 632055129 /nfs/dbraw/zinc/05/51/29/632055129.db2.gz ZOGFOPJYMOSLNC-GFCCVEGCSA-N 2 0 238.379 1.527 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](C[C@@H]2CCSC2)C1 ZINC000224610212 632061511 /nfs/dbraw/zinc/06/15/11/632061511.db2.gz OYCTVCKCAJTAPU-UWVGGRQHSA-N 2 0 200.351 1.020 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(CC3CC3)CC2)C1 ZINC000091540793 632064078 /nfs/dbraw/zinc/06/40/78/632064078.db2.gz OHSHJZJQCIEQTO-UONOGXRCSA-N 2 0 237.391 1.141 20 0 BDADRP C[N@H+](C[C@@H]1CCC[C@H]1O)CC1CC[NH+](C)CC1 ZINC000250578375 635700111 /nfs/dbraw/zinc/70/01/11/635700111.db2.gz FRDWKSYMCRMFLQ-UONOGXRCSA-N 2 0 240.391 1.421 20 0 BDADRP CC[C@H](O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252412629 635709826 /nfs/dbraw/zinc/70/98/26/635709826.db2.gz AEQRISFKGSMSQF-FRRDWIJNSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CCN2CCC([NH3+])CC2)C1 ZINC000129400893 632427463 /nfs/dbraw/zinc/42/74/63/632427463.db2.gz KRYGKXLRZKUVEP-DGCLKSJQSA-N 2 0 225.380 1.188 20 0 BDADRP [NH3+]CC(C[NH3+])NCc1ccc(Cl)cc1Cl ZINC000309551911 632481961 /nfs/dbraw/zinc/48/19/61/632481961.db2.gz KSGKKLDZAKTZJY-UHFFFAOYSA-N 2 0 248.157 1.369 20 0 BDADRP C(C[N@@H+]1CCO[C@@H]2CCCC[C@H]21)[C@H]1CC[NH2+]C1 ZINC000250820654 632545209 /nfs/dbraw/zinc/54/52/09/632545209.db2.gz GBAISRMOYHXHFL-MGPQQGTHSA-N 2 0 238.375 1.629 20 0 BDADRP CCN1CCC[C@H]1C[NH2+][C@H](C)COC(C)=O ZINC000892414253 632656079 /nfs/dbraw/zinc/65/60/79/632656079.db2.gz QZHDGZWONRYVQU-PWSUYJOCSA-N 2 0 228.336 1.012 20 0 BDADRP C[C@@H]1CCCN1CC[NH2+]C[C@@H]1CCC=CO1 ZINC000309755591 632666026 /nfs/dbraw/zinc/66/60/26/632666026.db2.gz HNEANGUVUNAZOF-OLZOCXBDSA-N 2 0 224.348 1.753 20 0 BDADRP CC(C)N(C)C[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000310438221 632740365 /nfs/dbraw/zinc/74/03/65/632740365.db2.gz OZVXEHQBKAQWTK-ZDUSSCGKSA-N 2 0 241.423 1.647 20 0 BDADRP Cc1ccc(O)c(C[N@@H+]2CCCC[C@H]2CC[NH3+])n1 ZINC000091996151 632775523 /nfs/dbraw/zinc/77/55/23/632775523.db2.gz ITMUOURLWMJEIM-LBPRGKRZSA-N 2 0 249.358 1.799 20 0 BDADRP CC[C@H]1COC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000926665333 632792831 /nfs/dbraw/zinc/79/28/31/632792831.db2.gz CKKSCLUPZITPER-RVMXOQNASA-N 2 0 226.364 1.341 20 0 BDADRP CC[C@@H]1COC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000926665331 632792872 /nfs/dbraw/zinc/79/28/72/632792872.db2.gz CKKSCLUPZITPER-FVCCEPFGSA-N 2 0 226.364 1.341 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@]1(C)CC1(F)F ZINC000926702424 632839432 /nfs/dbraw/zinc/83/94/32/632839432.db2.gz BVOVTYGAHFJVQP-AYLPWXGPSA-N 2 0 244.329 1.962 20 0 BDADRP CCNC(NC[C@@H](CC)[NH+]1CCCC1)=[NH+]CC ZINC000066245277 632860742 /nfs/dbraw/zinc/86/07/42/632860742.db2.gz AUQFNIJFTHLWRX-GFCCVEGCSA-N 2 0 240.395 1.436 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1CC=CC1 ZINC000926746090 632946776 /nfs/dbraw/zinc/94/67/76/632946776.db2.gz UJIBROPRFUQNMV-PBWFPOADSA-N 2 0 220.360 1.882 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H]2OC)C1 ZINC000309371644 632986750 /nfs/dbraw/zinc/98/67/50/632986750.db2.gz POEMHOXNCQWNIT-FRRDWIJNSA-N 2 0 226.364 1.485 20 0 BDADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)C[C@H]1CCCOC1 ZINC000249984376 633014116 /nfs/dbraw/zinc/01/41/16/633014116.db2.gz LXRAYOBCOLJKFC-ZIAGYGMSSA-N 2 0 240.391 1.735 20 0 BDADRP CCOC(C)(C)C[NH2+]CC1CC[NH+](C)CC1 ZINC000166980498 633123265 /nfs/dbraw/zinc/12/32/65/633123265.db2.gz OQUDEOJOWZVVEP-UHFFFAOYSA-N 2 0 228.380 1.733 20 0 BDADRP CC(C)SCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328525483 633771804 /nfs/dbraw/zinc/77/18/04/633771804.db2.gz IZXHVFOEMQPSDC-NWBUJAPZSA-N 2 0 240.416 1.714 20 0 BDADRP CC1(C)C[C@@H]([NH2+]CCN2CCCC2)C[C@@H]([NH3+])C1 ZINC000925509288 633845782 /nfs/dbraw/zinc/84/57/82/633845782.db2.gz NCWUMTLUNYWNKR-OLZOCXBDSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@H]1C[N@H+](C[C@@]2(C)CCC[NH2+]C2)C[C@H]1C ZINC000219844611 633847686 /nfs/dbraw/zinc/84/76/86/633847686.db2.gz WHTVMMTVUIIJGB-XQQFMLRXSA-N 2 0 210.365 1.964 20 0 BDADRP C[C@H](O)C[C@H](C)C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925511362 633853614 /nfs/dbraw/zinc/85/36/14/633853614.db2.gz LTRIGQJIPWNQBV-CYDGBPFRSA-N 2 0 242.407 1.889 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1NCCC[NH+]1CCCCC1 ZINC000925521567 633886538 /nfs/dbraw/zinc/88/65/38/633886538.db2.gz VYJSSWNDHQYBGL-CYBMUJFWSA-N 2 0 239.407 1.593 20 0 BDADRP COCCOCCCC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925541719 633959491 /nfs/dbraw/zinc/95/94/91/633959491.db2.gz MBCZFLFAIDFELI-LBPRGKRZSA-N 2 0 244.379 1.160 20 0 BDADRP CC1(C)[C@@H]([NH2+]CC2(O)CCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925608596 634143653 /nfs/dbraw/zinc/14/36/53/634143653.db2.gz FUZSBFGJKYOAAK-WOPDTQHZSA-N 2 0 238.375 1.268 20 0 BDADRP C[C@H](CCO)[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925611578 634150726 /nfs/dbraw/zinc/15/07/26/634150726.db2.gz MZEUQAYLEZGANK-XBFCOCLRSA-N 2 0 240.391 1.515 20 0 BDADRP CCC[N@@H+]1CC[C@@H](CN[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925613446 634152713 /nfs/dbraw/zinc/15/27/13/634152713.db2.gz RBVSTKSDFLMGSQ-QWHCGFSZSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@@H]1C=C[C@H](CO)C1)[NH2+]2 ZINC000925616611 634164345 /nfs/dbraw/zinc/16/43/45/634164345.db2.gz SGJSXOPLDXDHHP-BSCCGWMCSA-N 2 0 236.359 1.042 20 0 BDADRP CC[C@H](CCO)[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925621264 634180081 /nfs/dbraw/zinc/18/00/81/634180081.db2.gz CYCSPZXMKLWGHC-VXGBXAGGSA-N 2 0 226.364 1.412 20 0 BDADRP CCC[N@@H+]1CCC[C@H]1CN[C@@H]1CCC[NH2+][C@@H]1C ZINC000925670389 634251040 /nfs/dbraw/zinc/25/10/40/634251040.db2.gz JMPUAHGTPHFHAB-HZSPNIEDSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@H]1OCC[C@H]1[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925676274 634262618 /nfs/dbraw/zinc/26/26/18/634262618.db2.gz ZMQBPGZKHSTARZ-CHWFTXMASA-N 2 0 210.321 1.023 20 0 BDADRP CO[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)C1CC1 ZINC000925676229 634268606 /nfs/dbraw/zinc/26/86/06/634268606.db2.gz QBYIBYXCESSOSG-FRRDWIJNSA-N 2 0 240.391 1.907 20 0 BDADRP C[NH2+]CCCN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925687763 634303261 /nfs/dbraw/zinc/30/32/61/634303261.db2.gz AVYINTQJRMJZIS-UONOGXRCSA-N 2 0 239.407 1.354 20 0 BDADRP CC(C)[NH2+]CCCN[C@H]1CCC[NH2+][C@H]1C ZINC000925690834 634314578 /nfs/dbraw/zinc/31/45/78/634314578.db2.gz HUAIVUDAPSTLPC-RYUDHWBXSA-N 2 0 213.369 1.105 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1NC1C[C@H]3CC[C@@H](C1)[NH2+]3)[NH2+]2 ZINC000925693261 634327255 /nfs/dbraw/zinc/32/72/55/634327255.db2.gz QWGRMAMMBJBRNT-KUKLMFJYSA-N 3 0 249.402 1.388 20 0 BDADRP O[C@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925694635 634334752 /nfs/dbraw/zinc/33/47/52/634334752.db2.gz VPEGXWCPKQYKIJ-CRWXNKLISA-N 2 0 238.375 1.268 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000925695340 634346341 /nfs/dbraw/zinc/34/63/41/634346341.db2.gz VUZDSWJVHJEKOJ-BFKVFCTQSA-N 3 0 237.391 1.092 20 0 BDADRP [NH3+][C@H](CN[C@@H]1C[C@@H]([NH3+])C12CCC2)c1ccccc1 ZINC000925695254 634346431 /nfs/dbraw/zinc/34/64/31/634346431.db2.gz VAMFOZOGTJZLHK-MGPQQGTHSA-N 2 0 245.370 1.546 20 0 BDADRP C[C@H]([NH3+])[C@@H](NC1CC[NH2+]CC1)c1ccccc1 ZINC000925696042 634353140 /nfs/dbraw/zinc/35/31/40/634353140.db2.gz ZBLFFQNQEOLDAT-SMDDNHRTSA-N 2 0 233.359 1.417 20 0 BDADRP CC[NH2+][C@H](C)CN[C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925698114 634362423 /nfs/dbraw/zinc/36/24/23/634362423.db2.gz BUFWYRBSZZGBPT-YRGRVCCFSA-N 2 0 235.375 1.663 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925697991 634362490 /nfs/dbraw/zinc/36/24/90/634362490.db2.gz BSGBBRGRXHBLMI-GRYCIOLGSA-N 3 0 225.380 1.363 20 0 BDADRP C[C@@]1(CN[C@H]2CC[NH2+]C23CCC3)CCC[NH2+]C1 ZINC000925699090 634366827 /nfs/dbraw/zinc/36/68/27/634366827.db2.gz MSKIPTIZCUIOLS-QWHCGFSZSA-N 2 0 237.391 1.250 20 0 BDADRP CC(C)([NH3+])CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925699179 634366831 /nfs/dbraw/zinc/36/68/31/634366831.db2.gz NTNKDYXXVIKEHJ-CHWSQXEVSA-N 2 0 239.407 1.482 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925699938 634367741 /nfs/dbraw/zinc/36/77/41/634367741.db2.gz QNQJBPKHBVEXIJ-UTUOFQBUSA-N 2 0 225.380 1.363 20 0 BDADRP C[C@H]([NH3+])C[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000925699574 634369121 /nfs/dbraw/zinc/36/91/21/634369121.db2.gz KPMKGAMGZFCMEH-IRCOFANPSA-N 2 0 212.337 1.128 20 0 BDADRP C[C@H]([NH3+])C[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000925699573 634369455 /nfs/dbraw/zinc/36/94/55/634369455.db2.gz KPMKGAMGZFCMEH-FIQHERPVSA-N 2 0 212.337 1.128 20 0 BDADRP C[C@H](C[NH3+])N[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925700858 634372064 /nfs/dbraw/zinc/37/20/64/634372064.db2.gz WZMHMTMOULVQSJ-RAIGVLPGSA-N 2 0 225.380 1.092 20 0 BDADRP C[C@H](C[NH3+])N[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925700857 634372547 /nfs/dbraw/zinc/37/25/47/634372547.db2.gz WZMHMTMOULVQSJ-KGYLQXTDSA-N 2 0 225.380 1.092 20 0 BDADRP [NH3+]CCC[C@@H]([NH2+]CC1C[NH2+]C1)c1ccccc1 ZINC000925701131 634374331 /nfs/dbraw/zinc/37/43/31/634374331.db2.gz ZPYIKANATPKHSJ-CQSZACIVSA-N 3 0 233.359 1.276 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CC[C@H]1CCCO1 ZINC000925775993 635252084 /nfs/dbraw/zinc/25/20/84/635252084.db2.gz SYYNXTXRBSDZMX-FRRDWIJNSA-N 2 0 226.364 1.805 20 0 BDADRP C[C@@H]1COCC[C@H]1[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925777883 635260299 /nfs/dbraw/zinc/26/02/99/635260299.db2.gz RJGQAIFXAHEMDP-GMTAPVOTSA-N 2 0 248.317 1.246 20 0 BDADRP C[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925778102 635260781 /nfs/dbraw/zinc/26/07/81/635260781.db2.gz RJGQAIFXAHEMDP-OUAUKWLOSA-N 2 0 248.317 1.246 20 0 BDADRP CN(C)c1cc[nH+]c(CN[C@@H]2CCC[NH2+]CC2)c1 ZINC000925807778 635362160 /nfs/dbraw/zinc/36/21/60/635362160.db2.gz CIDGELHUIFVLIO-GFCCVEGCSA-N 2 0 248.374 1.379 20 0 BDADRP CCC(C)(C)[C@@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925816542 635386166 /nfs/dbraw/zinc/38/61/66/635386166.db2.gz HSRAAOCLWOUXCW-GFCCVEGCSA-N 2 0 241.423 1.824 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000925856225 635546757 /nfs/dbraw/zinc/54/67/57/635546757.db2.gz JPUIMLILGKTPPC-AXFHLTTASA-N 2 0 200.326 1.007 20 0 BDADRP [NH3+]CCN1CCC([NH2+]C2CCCCCC2)CC1 ZINC000259189878 635751195 /nfs/dbraw/zinc/75/11/95/635751195.db2.gz IAXNZNKYSKHFGC-UHFFFAOYSA-N 2 0 239.407 1.722 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)C(C)(C)CO ZINC000925010633 635846939 /nfs/dbraw/zinc/84/69/39/635846939.db2.gz NAQSVJFUZHJSJK-NEPJUHHUSA-N 2 0 228.380 1.325 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CN1C[C@@H]1CC2(CCC2)CO1 ZINC000872145798 636573779 /nfs/dbraw/zinc/57/37/79/636573779.db2.gz ZCIXUCYABRCTGM-UTUOFQBUSA-N 2 0 224.348 1.367 20 0 BDADRP CCC[NH+]1CCC([NH2+]C2CC(CCO)C2)CC1 ZINC000898010113 636852343 /nfs/dbraw/zinc/85/23/43/636852343.db2.gz DDDNCIOHPFOCRW-UHFFFAOYSA-N 2 0 240.391 1.611 20 0 BDADRP CC[N@@H+]1CC[C@H](CN[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000084219817 636875128 /nfs/dbraw/zinc/87/51/28/636875128.db2.gz DZVFFIFHZLQMPS-JHJVBQTASA-N 2 0 225.380 1.045 20 0 BDADRP CC1(C)[C@H]([NH2+]C2CCC([NH3+])CC2)[C@H]2CCO[C@@H]21 ZINC000085637709 636880225 /nfs/dbraw/zinc/88/02/25/636880225.db2.gz OUNVKCQBZZBNLM-ABLIHOLZSA-N 2 0 238.375 1.659 20 0 BDADRP C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccnn1C ZINC000322819754 636881041 /nfs/dbraw/zinc/88/10/41/636881041.db2.gz BXDYBPXCWJJUKZ-WODVXLOZSA-N 2 0 248.374 1.696 20 0 BDADRP C[N@@H+]1CCN(C[C@]2(C)CCC[NH2+]C2)CC1(C)C ZINC000110763020 636885616 /nfs/dbraw/zinc/88/56/16/636885616.db2.gz GVBGARBNMHKLAE-CQSZACIVSA-N 2 0 239.407 1.402 20 0 BDADRP Cc1noc(C)c1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000086404879 636886589 /nfs/dbraw/zinc/88/65/89/636886589.db2.gz CMQHABYQKYQMQP-WDEREUQCSA-N 2 0 223.320 1.651 20 0 BDADRP C[C@H](N[C@H]1C[NH2+]CC1(C)C)[C@H]1CCCC[NH2+]1 ZINC000902446465 637306287 /nfs/dbraw/zinc/30/62/87/637306287.db2.gz SYZQCKSPSHCGOX-TUAOUCFPSA-N 2 0 225.380 1.105 20 0 BDADRP CC(C)C[N@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903725466 637380591 /nfs/dbraw/zinc/38/05/91/637380591.db2.gz ZXSBMSPDODAUJZ-OLZOCXBDSA-N 2 0 226.364 1.343 20 0 BDADRP Cc1cnc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)nc1 ZINC000903788209 637382432 /nfs/dbraw/zinc/38/24/32/637382432.db2.gz FWYBQQFDQBGQAD-RYUDHWBXSA-N 2 0 234.347 1.202 20 0 BDADRP [NH3+]CC1CC([NH2+][C@@H]2CCCc3cccnc32)C1 ZINC000904427963 637398105 /nfs/dbraw/zinc/39/81/05/637398105.db2.gz BSNIVWGFVKEBKF-KGPNIALWSA-N 2 0 231.343 1.786 20 0 BDADRP CCc1onc(C)c1C[NH2+]CC1CC[NH2+]CC1 ZINC000904433105 637399766 /nfs/dbraw/zinc/39/97/66/637399766.db2.gz KICBIMQVKOUSAS-UHFFFAOYSA-N 2 0 237.347 1.635 20 0 BDADRP Oc1cncc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000904434733 637402383 /nfs/dbraw/zinc/40/23/83/637402383.db2.gz YIWYYNSNPWBEKR-RWMBFGLXSA-N 2 0 247.342 1.265 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+][C@@H]2C[NH2+]CC2(C)C)CCO1 ZINC000904461274 637404802 /nfs/dbraw/zinc/40/48/02/637404802.db2.gz GXTNVEQTAQBBFQ-JHJVBQTASA-N 2 0 240.391 1.779 20 0 BDADRP C([NH2+]C1([C@H]2CCCCO2)CC1)C1CC[NH2+]CC1 ZINC000904445056 637414510 /nfs/dbraw/zinc/41/45/10/637414510.db2.gz VPDZZGGKZASHNF-CYBMUJFWSA-N 2 0 238.375 1.677 20 0 BDADRP CC(C)(C)[NH2+]CCN[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000904459323 637421249 /nfs/dbraw/zinc/42/12/49/637421249.db2.gz QUNJTZBOELBBSJ-ZIAGYGMSSA-N 2 0 247.386 1.589 20 0 BDADRP C[C@@]1(C[N@@H+]2C[C@@H]3CSC[C@]3(C)C2)CC[NH2+]C1 ZINC000904474327 637425380 /nfs/dbraw/zinc/42/53/80/637425380.db2.gz DLVCMTWSLIAYOA-UPJWGTAASA-N 2 0 240.416 1.671 20 0 BDADRP C[NH2+][C@@H](C)Cc1noc(-c2ccccc2C[NH3+])n1 ZINC000905305314 637762941 /nfs/dbraw/zinc/76/29/41/637762941.db2.gz SJFZOCXCSBPNJB-VIFPVBQESA-N 2 0 246.314 1.346 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2c[nH]nc2-c2cccnc2)C1 ZINC000906508019 638178979 /nfs/dbraw/zinc/17/89/79/638178979.db2.gz HLJSDPCOYZMTBG-HAQNSBGRSA-N 2 0 243.314 1.051 20 0 BDADRP Cc1ccc(C)c(C[NH2+][C@H]2C[C@H]([NH3+])C2)c1 ZINC000906508071 638179904 /nfs/dbraw/zinc/17/99/04/638179904.db2.gz JXORVKLXHRJVGQ-JOCQHMNTSA-N 2 0 204.317 1.883 20 0 BDADRP [NH3+]C1CC([NH2+]CC2=Cc3ccccc3OC2)C1 ZINC000906511021 638183281 /nfs/dbraw/zinc/18/32/81/638183281.db2.gz PXEUNOURUNHUMD-UHFFFAOYSA-N 2 0 230.311 1.542 20 0 BDADRP [NH3+]C1CC([NH2+]Cc2cc(Cl)cs2)C1 ZINC000906509958 638184279 /nfs/dbraw/zinc/18/42/79/638184279.db2.gz FRIGCMTXTQTGBW-UHFFFAOYSA-N 2 0 216.737 1.981 20 0 BDADRP CC[C@H]1C[C@@H](C[NH2+][C@H]2C[C@H]([NH3+])C2)CCO1 ZINC000906517337 638187227 /nfs/dbraw/zinc/18/72/27/638187227.db2.gz NDEVMAFQERYNKY-BJDJZHNGSA-N 2 0 212.337 1.271 20 0 BDADRP CCCC[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000906527002 638191098 /nfs/dbraw/zinc/19/10/98/638191098.db2.gz BRMNLRCIXSMCKR-UHFFFAOYSA-N 2 0 227.396 1.404 20 0 BDADRP C[C@H](C[C@H](C)O)[NH2+]CC1CC[NH+](C)CC1 ZINC000164608025 638394934 /nfs/dbraw/zinc/39/49/34/638394934.db2.gz FGHMJZAXEOCMJU-MNOVXSKESA-N 2 0 214.353 1.077 20 0 BDADRP C[C@@H]1C[C@H](C(=O)Nc2cccc(C[NH3+])c2)CC[NH2+]1 ZINC000911648450 639705562 /nfs/dbraw/zinc/70/55/62/639705562.db2.gz JWUFZBKRMAERQU-ZYHUDNBSSA-N 2 0 247.342 1.472 20 0 BDADRP [NH3+]Cc1ccccc1C(=O)NC1CCC([NH3+])CC1 ZINC000911725373 639752589 /nfs/dbraw/zinc/75/25/89/639752589.db2.gz LBRQJXPPTFLQNE-UHFFFAOYSA-N 2 0 247.342 1.145 20 0 BDADRP CC[NH2+]CCNC(=O)[C@H]([NH3+])C1CCCCCC1 ZINC000911750193 639775319 /nfs/dbraw/zinc/77/53/19/639775319.db2.gz HUTXIELAOCPTBT-GFCCVEGCSA-N 2 0 241.379 1.010 20 0 BDADRP C[NH2+]CCCCC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000911765419 639792265 /nfs/dbraw/zinc/79/22/65/639792265.db2.gz UTDIYOVHYIYPKG-ZDUSSCGKSA-N 2 0 249.358 1.192 20 0 BDADRP CC[C@H](CO)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000930575794 639813200 /nfs/dbraw/zinc/81/32/00/639813200.db2.gz FGSXGXHSHWPSAO-OLZOCXBDSA-N 2 0 226.364 1.175 20 0 BDADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCOC1CC1)C2 ZINC000930602288 639817481 /nfs/dbraw/zinc/81/74/81/639817481.db2.gz PGRUFIDUIDXOBX-AWEZNQCLSA-N 2 0 238.375 1.583 20 0 BDADRP CCC(CC)(C[NH3+])NC(=O)C[C@@H]([NH3+])CC(C)C ZINC000911799459 639821279 /nfs/dbraw/zinc/82/12/79/639821279.db2.gz IFBQXWPMZTWZQC-NSHDSACASA-N 2 0 243.395 1.384 20 0 BDADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000911817786 639849840 /nfs/dbraw/zinc/84/98/40/639849840.db2.gz GVPKDWSURZIKSO-QJPTWQEYSA-N 2 0 243.395 1.240 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000911857228 639860509 /nfs/dbraw/zinc/86/05/09/639860509.db2.gz FFJNINSWUIDTFO-MNOVXSKESA-N 2 0 241.379 1.138 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)CCCC[NH2+]C ZINC000911879851 639864666 /nfs/dbraw/zinc/86/46/66/639864666.db2.gz QCKVYENAOFKFME-NSHDSACASA-N 2 0 229.368 1.010 20 0 BDADRP C[C@@H]1[C@H]([NH+](C)C)CCN1C[C@H]1CCC[N@@H+]1C ZINC000931036509 640030943 /nfs/dbraw/zinc/03/09/43/640030943.db2.gz GMCXHBYTGXLVLT-JHJVBQTASA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H](C1CC1)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000931066266 640054340 /nfs/dbraw/zinc/05/43/40/640054340.db2.gz HRZIVFZWHHXMNQ-SMDDNHRTSA-N 2 0 238.375 1.316 20 0 BDADRP C[N@@H+]1CC[C@@H]2CN(Cc3cscn3)C[C@@H]2C1 ZINC000931430329 640198520 /nfs/dbraw/zinc/19/85/20/640198520.db2.gz NNUACUYRVPWIHI-MNOVXSKESA-N 2 0 237.372 1.527 20 0 BDADRP Cc1ncccc1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000931437257 640202679 /nfs/dbraw/zinc/20/26/79/640202679.db2.gz NNHFHLRFNKEBDR-CABCVRRESA-N 2 0 245.370 1.774 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](CCOC3CC3)C[C@@H]2C1 ZINC000931442276 640204884 /nfs/dbraw/zinc/20/48/84/640204884.db2.gz AQSNYLDBMHLBAO-NEPJUHHUSA-N 2 0 224.348 1.049 20 0 BDADRP CC(C)[C@H](O)CC[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931443216 640206620 /nfs/dbraw/zinc/20/66/20/640206620.db2.gz TWPLVNIHABEHHM-BFHYXJOUSA-N 2 0 240.391 1.277 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](CCOC(F)F)C[C@@H]2C1 ZINC000931441734 640208045 /nfs/dbraw/zinc/20/80/45/640208045.db2.gz OBWITJIAJNTGBO-ZJUUUORDSA-N 2 0 234.290 1.109 20 0 BDADRP CC[C@@H](CO)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000931465990 640226997 /nfs/dbraw/zinc/22/69/97/640226997.db2.gz SPIKKCAQKMEGRB-ZDUSSCGKSA-N 2 0 240.391 1.708 20 0 BDADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1cc(CO)on1 ZINC000924853227 640283668 /nfs/dbraw/zinc/28/36/68/640283668.db2.gz JDRLQGNXEXSOEB-SNVBAGLBSA-N 2 0 241.335 1.159 20 0 BDADRP C[C@@H](N[C@@H](C)CC[NH+](C)C)c1ccnnc1 ZINC000924853577 640288971 /nfs/dbraw/zinc/28/89/71/640288971.db2.gz PHSDWWNQPVQJHE-WDEREUQCSA-N 2 0 222.336 1.467 20 0 BDADRP C[C@@H](CC[NH+](C)C)N[C@@H](C)c1ccnnc1 ZINC000924853576 640290356 /nfs/dbraw/zinc/29/03/56/640290356.db2.gz PHSDWWNQPVQJHE-QWRGUYRKSA-N 2 0 222.336 1.467 20 0 BDADRP C[NH+]1CCC(C[NH2+]CCc2ccncc2)CC1 ZINC000044518219 640399190 /nfs/dbraw/zinc/39/91/90/640399190.db2.gz UZEOUBYHAGESBB-UHFFFAOYSA-N 2 0 233.359 1.556 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@H]2CCCC[NH+]2C)CCO1 ZINC000932348976 640491828 /nfs/dbraw/zinc/49/18/28/640491828.db2.gz CWLZMKAEWZITGZ-ZIAGYGMSSA-N 2 0 240.391 1.972 20 0 BDADRP C[NH+]1CCC(C[NH2+]CC2(CCO)CC2)CC1 ZINC000156752295 640496688 /nfs/dbraw/zinc/49/66/88/640496688.db2.gz QYKYJKYEABIKEV-UHFFFAOYSA-N 2 0 226.364 1.080 20 0 BDADRP CN1CCC[C@H]1C[NH2+]CC1CC[NH+](C)CC1 ZINC000226018745 640721519 /nfs/dbraw/zinc/72/15/19/640721519.db2.gz NQRHBEVONKUYIM-ZDUSSCGKSA-N 2 0 225.380 1.012 20 0 BDADRP Cc1ccc(CN2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)cn1 ZINC000933732764 640753221 /nfs/dbraw/zinc/75/32/21/640753221.db2.gz BKLJEAVFTIYGLU-CABCVRRESA-N 2 0 245.370 1.774 20 0 BDADRP CC[C@H](C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)OC ZINC000933734478 640761493 /nfs/dbraw/zinc/76/14/93/640761493.db2.gz TZTNIYBNPTYWQI-YNEHKIRRSA-N 2 0 226.364 1.295 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCCCCCO)C1 ZINC000226422662 640762703 /nfs/dbraw/zinc/76/27/03/640762703.db2.gz UHJHQQPGXSMNLD-OLZOCXBDSA-N 2 0 228.380 1.598 20 0 BDADRP CS[C@H](CO)[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000228327285 640870963 /nfs/dbraw/zinc/87/09/63/640870963.db2.gz KYZRBKYIUIVPBV-CMPLNLGQSA-N 2 0 246.420 1.030 20 0 BDADRP CCC[C@@](C)(O)C[NH2+]C1CCC([NH3+])CC1 ZINC000230688959 641086669 /nfs/dbraw/zinc/08/66/69/641086669.db2.gz BLOAMKAKBGCWCX-HTAVTVPLSA-N 2 0 214.353 1.397 20 0 BDADRP C[C@@]1(CN2CC[NH+](C3CC3)CC2)CCC[NH2+]C1 ZINC000062862536 641100150 /nfs/dbraw/zinc/10/01/50/641100150.db2.gz CWQYLJXYSAVTQD-CQSZACIVSA-N 2 0 237.391 1.156 20 0 BDADRP CN(Cc1ccncc1)C[C@]1(C)CCC[NH2+]C1 ZINC000062862048 641101487 /nfs/dbraw/zinc/10/14/87/641101487.db2.gz RXKQGNZZLBNPAK-CQSZACIVSA-N 2 0 233.359 1.903 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2CO)CC1 ZINC000231292539 641154719 /nfs/dbraw/zinc/15/47/19/641154719.db2.gz DRRSHJJZFMJIDF-CHWSQXEVSA-N 2 0 226.364 1.079 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000232148466 641250372 /nfs/dbraw/zinc/25/03/72/641250372.db2.gz SZVOCQACKZHWRI-KBPBESRZSA-N 2 0 240.391 1.469 20 0 BDADRP CCC(CC)(CO)C[NH2+]C1CCC([NH3+])CC1 ZINC000088176357 641320826 /nfs/dbraw/zinc/32/08/26/641320826.db2.gz OPUZCFGADRLDLA-UHFFFAOYSA-N 2 0 228.380 1.645 20 0 BDADRP C(C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)OC1CC1 ZINC000929698140 641405933 /nfs/dbraw/zinc/40/59/33/641405933.db2.gz ZBDDYKOEEFHGHD-ZDUSSCGKSA-N 2 0 238.375 1.583 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000089147687 641465972 /nfs/dbraw/zinc/46/59/72/641465972.db2.gz FQPSMIOJWBMNRX-RYUDHWBXSA-N 2 0 248.326 1.632 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000089147684 641466382 /nfs/dbraw/zinc/46/63/82/641466382.db2.gz FQPSMIOJWBMNRX-VXGBXAGGSA-N 2 0 248.326 1.632 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H]2COCC2(C)C)C1 ZINC000313009962 641525392 /nfs/dbraw/zinc/52/53/92/641525392.db2.gz SZRFUBPNDZCFPW-QWHCGFSZSA-N 2 0 240.391 1.731 20 0 BDADRP CCC[NH2+]CC[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000158652614 641644040 /nfs/dbraw/zinc/64/40/40/641644040.db2.gz XXYLDFXVIVXDLV-WDEREUQCSA-N 2 0 200.326 1.001 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000076672422 641821265 /nfs/dbraw/zinc/82/12/65/641821265.db2.gz ZYCJPPGHCMBZHY-GFCCVEGCSA-N 2 0 222.307 1.996 20 0 BDADRP CC1(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])CCOCC1 ZINC000233023256 642643446 /nfs/dbraw/zinc/64/34/46/642643446.db2.gz LTGBCOGHUGUHTB-NWDGAFQWSA-N 2 0 226.364 1.520 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)C1(C)C ZINC000233769375 642693829 /nfs/dbraw/zinc/69/38/29/642693829.db2.gz DAOLJYASBLZEFE-VOAKCMCISA-N 2 0 240.391 1.635 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCC[C@H](c2nccn2C)C1 ZINC000420371140 642722286 /nfs/dbraw/zinc/72/22/86/642722286.db2.gz KHJGXLCMJIXVSG-LBPRGKRZSA-N 2 0 236.363 1.209 20 0 BDADRP [NH3+]CC[C@H]1CCCC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000070149745 642980158 /nfs/dbraw/zinc/98/01/58/642980158.db2.gz CMHMUPBKLNAGEE-HUUCEWRRSA-N 2 0 248.370 1.923 20 0 BDADRP CC[C@](C)(CO)[NH2+]CC1CC[NH+](C)CC1 ZINC000070898655 643079160 /nfs/dbraw/zinc/07/91/60/643079160.db2.gz SIRNKDDIDFAUEV-GFCCVEGCSA-N 2 0 214.353 1.079 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@H](O)c1ccccc1 ZINC000049557440 643086077 /nfs/dbraw/zinc/08/60/77/643086077.db2.gz DMFALEVWXPPXKD-OCCSQVGLSA-N 2 0 236.359 1.650 20 0 BDADRP NC(=O)c1cccc(C[NH2+]C2CCC([NH3+])CC2)c1 ZINC000071205058 643109445 /nfs/dbraw/zinc/10/94/45/643109445.db2.gz PGAYNYWHWNGDOH-UHFFFAOYSA-N 2 0 247.342 1.145 20 0 BDADRP C[C@@H]1CC[N@H+](CCOc2ccccc2)C[C@H]1C[NH3+] ZINC000253207291 643184428 /nfs/dbraw/zinc/18/44/28/643184428.db2.gz HCKZWULLMOEZIX-ZIAGYGMSSA-N 2 0 248.370 1.982 20 0 BDADRP [NH3+]C1CCC([NH2+]Cc2nccs2)CC1 ZINC000082493688 643327133 /nfs/dbraw/zinc/32/71/33/643327133.db2.gz XZRIEBHWEHRAKL-UHFFFAOYSA-N 2 0 211.334 1.503 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)c1cccc(C[NH3+])c1 ZINC000843507987 643368012 /nfs/dbraw/zinc/36/80/12/643368012.db2.gz OKKWNCXKTHWAOG-UWVGGRQHSA-N 2 0 235.331 1.001 20 0 BDADRP CCOC[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000054243744 643502258 /nfs/dbraw/zinc/50/22/58/643502258.db2.gz JDQMTBFDEDWZAA-NSHDSACASA-N 2 0 214.353 1.343 20 0 BDADRP CC[C@](C)(O)C[NH2+]CC1CC[NH+](C)CC1 ZINC000083462223 643534729 /nfs/dbraw/zinc/53/47/29/643534729.db2.gz MHXBRMHQYOXJKL-LBPRGKRZSA-N 2 0 214.353 1.079 20 0 BDADRP CCOCCC[N@H+](C)C1CCC([NH3+])CC1 ZINC000085869734 643627506 /nfs/dbraw/zinc/62/75/06/643627506.db2.gz PWUWSZBAVOIDEY-UHFFFAOYSA-N 2 0 214.353 1.615 20 0 BDADRP CCC(O)(CC)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000084217115 643649882 /nfs/dbraw/zinc/64/98/82/643649882.db2.gz WEOMTNRBDDMMPF-RYUDHWBXSA-N 2 0 228.380 1.645 20 0 BDADRP CCC(O)(CC)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000084217113 643650987 /nfs/dbraw/zinc/65/09/87/643650987.db2.gz WEOMTNRBDDMMPF-NEPJUHHUSA-N 2 0 228.380 1.645 20 0 BDADRP CC[C@H]1CO[C@H](C)C[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000085015080 643679369 /nfs/dbraw/zinc/67/93/69/643679369.db2.gz IJILCLZVDGZALN-NDBYEHHHSA-N 2 0 226.364 1.613 20 0 BDADRP CCC(CC)(CO)C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000230220132 643766999 /nfs/dbraw/zinc/76/69/99/643766999.db2.gz MKMJGPIGIBHCDQ-NWDGAFQWSA-N 2 0 228.380 1.502 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@H]2CCCO2)C[C@@H]1C[NH3+] ZINC000253236311 643816545 /nfs/dbraw/zinc/81/65/45/643816545.db2.gz NPILWZJRIFCJCP-FRRDWIJNSA-N 2 0 226.364 1.472 20 0 BDADRP C[C@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H]1C ZINC000086010121 643882056 /nfs/dbraw/zinc/88/20/56/643882056.db2.gz DCNNKDRYHHZHSO-XQQFMLRXSA-N 2 0 210.365 1.964 20 0 BDADRP CCO[C@H](C[NH2+][C@H]1CO[C@@H](CC)C1)CN(C)C ZINC000922756019 644088424 /nfs/dbraw/zinc/08/84/24/644088424.db2.gz KOCDOPBKGBTGOU-FRRDWIJNSA-N 2 0 244.379 1.110 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC000923280934 644313595 /nfs/dbraw/zinc/31/35/95/644313595.db2.gz KHKGPZYFMKSRQK-GXFFZTMASA-N 2 0 238.306 1.140 20 0 BDADRP CCCCCC[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000923281918 644314168 /nfs/dbraw/zinc/31/41/68/644314168.db2.gz JJEZVCWWSNXJMG-UONOGXRCSA-N 2 0 242.407 1.988 20 0 BDADRP Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000923281729 644315112 /nfs/dbraw/zinc/31/51/12/644315112.db2.gz ROZCHHSNIZDBPV-HIFRSBDPSA-N 2 0 248.370 1.699 20 0 BDADRP CC(C)CC[C@H](O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000923280903 644315952 /nfs/dbraw/zinc/31/59/52/644315952.db2.gz JTCQATBAZRIOBN-NEPJUHHUSA-N 2 0 214.353 1.064 20 0 BDADRP CC(C)CC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000923287388 644321453 /nfs/dbraw/zinc/32/14/53/644321453.db2.gz DROOUVPBZRZJJV-FRRDWIJNSA-N 2 0 228.380 1.453 20 0 BDADRP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@@H](O)c1ccccc1 ZINC000923299932 644325530 /nfs/dbraw/zinc/32/55/30/644325530.db2.gz JNCWCBISTPBOHT-ZIAGYGMSSA-N 2 0 236.359 1.683 20 0 BDADRP CC(C)OCC[C@H](O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000923294523 644333365 /nfs/dbraw/zinc/33/33/65/644333365.db2.gz MWYYCRJPWFTPOW-LBPRGKRZSA-N 2 0 246.395 1.079 20 0 BDADRP CCOCC[C@@H](O)C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000923296257 644335216 /nfs/dbraw/zinc/33/52/16/644335216.db2.gz DPGSWWHIONYWAR-OLZOCXBDSA-N 2 0 246.395 1.079 20 0 BDADRP CN(Cc1ccccc1F)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923296817 644335648 /nfs/dbraw/zinc/33/56/48/644335648.db2.gz DCTIQPJBDBBNMA-DRZSPHRISA-N 2 0 238.306 1.108 20 0 BDADRP CCC[C@H](C)[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923307829 644338083 /nfs/dbraw/zinc/33/80/83/644338083.db2.gz WXMVJERVKQJWGU-RYUDHWBXSA-N 2 0 226.364 1.485 20 0 BDADRP CC[C@@]1(C)CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923316604 644343516 /nfs/dbraw/zinc/34/35/16/644343516.db2.gz PLUCYOFRKZHKJA-CYDGBPFRSA-N 2 0 226.364 1.349 20 0 BDADRP CC(C)C1CC[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923318240 644344307 /nfs/dbraw/zinc/34/43/07/644344307.db2.gz XYWHGGSONIQXPN-AVGNSLFASA-N 2 0 226.364 1.205 20 0 BDADRP CC(C)CC[C@H](O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000923357942 644367592 /nfs/dbraw/zinc/36/75/92/644367592.db2.gz BMACFMBLMPQTSR-HZSPNIEDSA-N 2 0 240.391 1.467 20 0 BDADRP [NH3+]CC(C[NH3+])N[C@@H]1CCCc2ccc(F)cc21 ZINC000923359132 644372799 /nfs/dbraw/zinc/37/27/99/644372799.db2.gz MJUJGGVNSBSTRN-CYBMUJFWSA-N 2 0 237.322 1.079 20 0 BDADRP Cc1ccc([C@H](O)C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000923355219 644373360 /nfs/dbraw/zinc/37/33/60/644373360.db2.gz HVGVPKSIQWIMPU-CABCVRRESA-N 2 0 248.370 1.699 20 0 BDADRP C[C@@H]1CCN(CCC[NH2+]C2CC2)C[C@H]1C[NH3+] ZINC000923374801 644389182 /nfs/dbraw/zinc/38/91/82/644389182.db2.gz CHZLZVITOFQBQQ-VXGBXAGGSA-N 2 0 225.380 1.045 20 0 BDADRP CC[N@@H+]1C[C@@H](C)N(CCC[NH2+]C2CC2)C[C@@H]1C ZINC000923373852 644390220 /nfs/dbraw/zinc/39/02/20/644390220.db2.gz UQMUCWUOQCTHSW-QWHCGFSZSA-N 2 0 239.407 1.543 20 0 BDADRP CC(C)CC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000923381525 644393977 /nfs/dbraw/zinc/39/39/77/644393977.db2.gz JFIGQVLHDLMKNW-YNEHKIRRSA-N 2 0 228.380 1.643 20 0 BDADRP CCCCOC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000923381855 644394900 /nfs/dbraw/zinc/39/49/00/644394900.db2.gz LCHKFESPBVDDIJ-YNEHKIRRSA-N 2 0 244.379 1.024 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000083008675 644397643 /nfs/dbraw/zinc/39/76/43/644397643.db2.gz ILFWQEOMWNJZMT-CQSZACIVSA-N 2 0 218.344 1.900 20 0 BDADRP FC1(F)C[C@@]12CC[N@H+](CCC[NH2+]C1CC1)C2 ZINC000923392168 644398449 /nfs/dbraw/zinc/39/84/49/644398449.db2.gz HKWNRNZXOMOVNM-LLVKDONJSA-N 2 0 230.302 1.860 20 0 BDADRP CC[C@@H](C)[N@H+](CC)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923386172 644398655 /nfs/dbraw/zinc/39/86/55/644398655.db2.gz GCODKLOQNGWNCX-VXGBXAGGSA-N 2 0 226.364 1.485 20 0 BDADRP CSC[C@H](O)C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000923385393 644400120 /nfs/dbraw/zinc/40/01/20/644400120.db2.gz APDOCBFYKHQBSB-TUAOUCFPSA-N 2 0 246.420 1.160 20 0 BDADRP C[C@H](O)C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000923415890 644410028 /nfs/dbraw/zinc/41/00/28/644410028.db2.gz SDVPVGZCWWXWIN-JQWIXIFHSA-N 2 0 214.353 1.064 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1C[NH3+] ZINC000923410565 644410732 /nfs/dbraw/zinc/41/07/32/644410732.db2.gz IIMHALVLXLUJNJ-YUELXQCFSA-N 2 0 248.370 1.117 20 0 BDADRP C(C[NH2+]C1CC1)C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000923412794 644415156 /nfs/dbraw/zinc/41/51/56/644415156.db2.gz BLABINRVKKVNNM-NWDGAFQWSA-N 2 0 240.416 1.813 20 0 BDADRP Cc1ccc([C@H](O)C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000923413186 644416722 /nfs/dbraw/zinc/41/67/22/644416722.db2.gz UPKBSCVMWONHMW-AEGPPILISA-N 2 0 248.370 1.555 20 0 BDADRP C(C[NH2+]C1CC1)C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000923426029 644419563 /nfs/dbraw/zinc/41/95/63/644419563.db2.gz BKZVXUPJCLADLO-JSGCOSHPSA-N 2 0 238.375 1.629 20 0 BDADRP OC[C@H]1CCC[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923429091 644421721 /nfs/dbraw/zinc/42/17/21/644421721.db2.gz OZJDWDSAXUBWFV-WTUNAVPPSA-N 2 0 238.375 1.364 20 0 BDADRP Cc1ccc([C@H](O)C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)cc1 ZINC000923419819 644424565 /nfs/dbraw/zinc/42/45/65/644424565.db2.gz DMJDPRBMORCGQF-HZSPNIEDSA-N 2 0 248.370 1.744 20 0 BDADRP C[C@@H]1C[C@H]1C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923444944 644430438 /nfs/dbraw/zinc/43/04/38/644430438.db2.gz IVYPHRGPNIVTIF-FRRDWIJNSA-N 2 0 238.375 1.472 20 0 BDADRP Cc1cc(C)cc(CN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000923465895 644443587 /nfs/dbraw/zinc/44/35/87/644443587.db2.gz GCWYCXHCPHQGDV-UHFFFAOYSA-N 2 0 247.386 1.298 20 0 BDADRP Cc1noc([C@@H](C)[N@@H+]2CC[C@@H](CC[NH3+])C2)n1 ZINC000923486470 644456622 /nfs/dbraw/zinc/45/66/22/644456622.db2.gz QTMJMZRKKQWFCW-PSASIEDQSA-N 2 0 224.308 1.110 20 0 BDADRP Cc1noc([C@H](C)[N@@H+]2CC[C@H](CC[NH3+])C2)n1 ZINC000923486473 644457212 /nfs/dbraw/zinc/45/72/12/644457212.db2.gz QTMJMZRKKQWFCW-WPRPVWTQSA-N 2 0 224.308 1.110 20 0 BDADRP CN(C[C@@H]1CCC[N@@H+]1C)C[C@@]1(C)CC[NH2+]C1 ZINC000086189443 644457947 /nfs/dbraw/zinc/45/79/47/644457947.db2.gz LCDOCJHWARELDQ-STQMWFEESA-N 2 0 225.380 1.012 20 0 BDADRP CN(C)c1ccccc1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923482317 644458401 /nfs/dbraw/zinc/45/84/01/644458401.db2.gz DGYROTWYWBUDAC-CYBMUJFWSA-N 2 0 247.386 1.923 20 0 BDADRP COCCCCC[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923481309 644458618 /nfs/dbraw/zinc/45/86/18/644458618.db2.gz ITLCSWKLZSHPTC-GFCCVEGCSA-N 2 0 214.353 1.474 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923480512 644459358 /nfs/dbraw/zinc/45/93/58/644459358.db2.gz IHRDCZSZQSWVLT-GFCCVEGCSA-N 3 0 213.369 1.176 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000923483536 644459825 /nfs/dbraw/zinc/45/98/25/644459825.db2.gz BQSOALZRIBUBBG-OLZOCXBDSA-N 3 0 225.380 1.047 20 0 BDADRP Cc1ccncc1C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923488445 644466362 /nfs/dbraw/zinc/46/63/62/644466362.db2.gz FVWKPQROCNVFCO-OLZOCXBDSA-N 2 0 233.359 1.807 20 0 BDADRP C[C@H](c1cnccn1)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923492300 644467179 /nfs/dbraw/zinc/46/71/79/644467179.db2.gz BMMOFGAZBAJHCY-UTUOFQBUSA-N 2 0 234.347 1.454 20 0 BDADRP C[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)CC[C@@H]1C[NH3+] ZINC000923491890 644467836 /nfs/dbraw/zinc/46/78/36/644467836.db2.gz UXTXOTGPMHTBJR-GMTAPVOTSA-N 2 0 248.317 1.327 20 0 BDADRP C[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)CC[C@@H]1C[NH3+] ZINC000923491892 644468107 /nfs/dbraw/zinc/46/81/07/644468107.db2.gz UXTXOTGPMHTBJR-MXWKQRLJSA-N 2 0 248.317 1.327 20 0 BDADRP Cc1c[nH]nc1C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923493716 644470255 /nfs/dbraw/zinc/47/02/55/644470255.db2.gz UMCLZBBCHLTLFW-GHMZBOCLSA-N 2 0 222.336 1.135 20 0 BDADRP Cc1ccc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cn1 ZINC000923494115 644471186 /nfs/dbraw/zinc/47/11/86/644471186.db2.gz KNMUQTVMMRAPSV-BXUZGUMPSA-N 2 0 233.359 1.807 20 0 BDADRP [NH3+]C1CCC([NH2+]C[C@H]2CCCC[C@H]2O)CC1 ZINC000086730505 644471335 /nfs/dbraw/zinc/47/13/35/644471335.db2.gz FJIIOFFSNFSSPJ-IKWCTNDRSA-N 2 0 226.364 1.397 20 0 BDADRP Cc1cc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)on1 ZINC000923499553 644472470 /nfs/dbraw/zinc/47/24/70/644472470.db2.gz SNCJDJOIQJKOHV-MWLCHTKSSA-N 2 0 223.320 1.400 20 0 BDADRP C=C/C=C/CC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516257 644480822 /nfs/dbraw/zinc/48/08/22/644480822.db2.gz WZXKPMBKLDKBAG-HORCIZIBSA-N 2 0 206.333 1.660 20 0 BDADRP C[C@@H](c1cccnc1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518650 644483992 /nfs/dbraw/zinc/48/39/92/644483992.db2.gz YPXJQZWFLUFRAA-FPMFFAJLSA-N 2 0 231.343 1.684 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)C1 ZINC000923530674 644487013 /nfs/dbraw/zinc/48/70/13/644487013.db2.gz MEGPTVPATUGLEN-BFHYXJOUSA-N 2 0 237.391 1.332 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923531097 644488592 /nfs/dbraw/zinc/48/85/92/644488592.db2.gz PBENCFQMKDWYFP-MELADBBJSA-N 2 0 238.375 1.629 20 0 BDADRP C[NH2+]CCCN1CCOC[C@H]1CC1CC1 ZINC000923553940 644495962 /nfs/dbraw/zinc/49/59/62/644495962.db2.gz LPVMZICGAOYOGE-GFCCVEGCSA-N 2 0 212.337 1.097 20 0 BDADRP CC[NH+]1CCC(N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000089145448 644535531 /nfs/dbraw/zinc/53/55/31/644535531.db2.gz NRRQAJIYAFLUQJ-JSGCOSHPSA-N 2 0 239.407 1.578 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCOc1ccccc1 ZINC000089150411 644536952 /nfs/dbraw/zinc/53/69/52/644536952.db2.gz VRILFIQDNLBHEP-TZMCWYRMSA-N 2 0 234.343 1.782 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H](C)[NH+](C)C ZINC000093515894 644692054 /nfs/dbraw/zinc/69/20/54/644692054.db2.gz LPMAQGBRHRTDQK-MCIONIFRSA-N 2 0 241.423 1.837 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000251211278 644796991 /nfs/dbraw/zinc/79/69/91/644796991.db2.gz MLUAIXUIPBFLDD-NDBYEHHHSA-N 2 0 226.364 1.674 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1CCOCC1 ZINC000414990991 644875880 /nfs/dbraw/zinc/87/58/80/644875880.db2.gz PDJBCGYTPPCSDK-VTXSZYRJSA-N 2 0 238.375 1.519 20 0 BDADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)CCCCCC[NH3+] ZINC000834362085 645138079 /nfs/dbraw/zinc/13/80/79/645138079.db2.gz ZXDMPAKQOQZDNS-NWDGAFQWSA-N 2 0 241.379 1.091 20 0 BDADRP C[C@H]1C[C@@H](C[NH2+]CCCCCC[NH3+])CC[NH2+]1 ZINC000843129109 645267909 /nfs/dbraw/zinc/26/79/09/645267909.db2.gz MICAYBGXKFGJJG-STQMWFEESA-N 3 0 227.396 1.483 20 0 BDADRP Cn1ccnc1[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000843389746 645289479 /nfs/dbraw/zinc/28/94/79/645289479.db2.gz QHQPPPPIPXAHRJ-CHWSQXEVSA-N 2 0 248.374 1.209 20 0 BDADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1COC[C@@H]1C ZINC000926644649 645330731 /nfs/dbraw/zinc/33/07/31/645330731.db2.gz IAIJHHBJMKQQJP-QWHCGFSZSA-N 2 0 228.380 1.589 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccnnc1 ZINC000926664967 645345735 /nfs/dbraw/zinc/34/57/35/645345735.db2.gz ADRVTOXROUORDR-GMXVVIOVSA-N 2 0 234.347 1.467 20 0 BDADRP C[C@@]1(C[NH2+][C@@H]2CC[NH2+]C23CCC3)CCOC1 ZINC000925486343 645444356 /nfs/dbraw/zinc/44/43/56/645444356.db2.gz HEMFZXKLVKJQAR-NEPJUHHUSA-N 2 0 224.348 1.287 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000927015020 645515799 /nfs/dbraw/zinc/51/57/99/645515799.db2.gz DUMZDDXJBXTDAS-XBFCOCLRSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@@H](CNC(=[NH2+])NC(C)(C)C)[N@H+](C)C1CC1 ZINC000221887688 645894336 /nfs/dbraw/zinc/89/43/36/645894336.db2.gz WYWGMKXUDREOBH-VIFPVBQESA-N 2 0 226.368 1.382 20 0 BDADRP C[N@H+](C[C@H]1CCCOC1)C[C@@]1(C)CC[NH2+]C1 ZINC000223729244 645902117 /nfs/dbraw/zinc/90/21/17/645902117.db2.gz KBAPCZLUZXITHJ-OLZOCXBDSA-N 2 0 226.364 1.344 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000925495911 645933631 /nfs/dbraw/zinc/93/36/31/645933631.db2.gz OQWDSKJRDCQMSN-CZAVRGAYSA-N 2 0 249.402 1.329 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@H](C)C(C)(C)CO ZINC000924524525 646046679 /nfs/dbraw/zinc/04/66/79/646046679.db2.gz CUYCBCFGOKTNQE-LBPRGKRZSA-N 2 0 230.396 1.715 20 0 BDADRP C[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccnnc1 ZINC000924648595 646087072 /nfs/dbraw/zinc/08/70/72/646087072.db2.gz MFVAUZWVLVHGHH-NEPJUHHUSA-N 2 0 246.358 1.612 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCCOC1 ZINC000924726212 646098467 /nfs/dbraw/zinc/09/84/67/646098467.db2.gz LUBKZDNNMLBDTD-HABKJSAYSA-N 2 0 238.375 1.343 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccoc1 ZINC000924748224 646100830 /nfs/dbraw/zinc/10/08/30/646100830.db2.gz NQZLOWQZFZCEEH-FUNVUKJBSA-N 2 0 220.316 1.709 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)C(C)(C)CO)C1 ZINC000924755827 646102874 /nfs/dbraw/zinc/10/28/74/646102874.db2.gz XKCSKRVWFZTUCZ-CHWSQXEVSA-N 2 0 242.407 1.715 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCCC[NH+](C)C)c2ncnn21 ZINC000924853110 646119909 /nfs/dbraw/zinc/11/99/09/646119909.db2.gz IKUXGGWAWWNFMA-MNOVXSKESA-N 2 0 237.351 1.215 20 0 BDADRP C[C@@H]1OC[C@H]([NH2+]C[C@@H]2CCCn3ccnc32)[C@@H]1C ZINC000925170155 646200159 /nfs/dbraw/zinc/20/01/59/646200159.db2.gz LDKJFQHPUQNWJA-VOAKCMCISA-N 2 0 249.358 1.774 20 0 BDADRP CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000929637123 646213826 /nfs/dbraw/zinc/21/38/26/646213826.db2.gz DGITWBJGVRPMEE-UPJWGTAASA-N 2 0 210.365 1.916 20 0 BDADRP CC[N@@H+]1CC[C@@H](CN[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925471877 646289091 /nfs/dbraw/zinc/28/90/91/646289091.db2.gz BLZOWIMTOAWLKU-NWDGAFQWSA-N 2 0 225.380 1.058 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC1CC1 ZINC000925480582 646293314 /nfs/dbraw/zinc/29/33/14/646293314.db2.gz MPZXAAWZAOXGIW-FUNVUKJBSA-N 2 0 208.349 1.716 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]C2CCOCC2)C1 ZINC000925483769 646295411 /nfs/dbraw/zinc/29/54/11/646295411.db2.gz YHMRWUZSZGOMTL-CMPLNLGQSA-N 2 0 226.364 1.661 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(C)CC1 ZINC000925491851 646298803 /nfs/dbraw/zinc/29/88/03/646298803.db2.gz WFFBFPSFEGFKTB-FOSCPWQOSA-N 2 0 208.349 1.716 20 0 BDADRP C[C@H](CN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)[NH+](C)C ZINC000925490379 646299031 /nfs/dbraw/zinc/29/90/31/646299031.db2.gz BCOWEVCLYDDMBI-IJLUTSLNSA-N 2 0 227.396 1.432 20 0 BDADRP CC[N@@H+]1CCC[C@H]1CN[C@H]1CC[NH2+]C12CCC2 ZINC000925510340 646308730 /nfs/dbraw/zinc/30/87/30/646308730.db2.gz UZNVRUWGBQKIGY-STQMWFEESA-N 2 0 237.391 1.345 20 0 BDADRP CC[NH+]1CCC(N[C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925512215 646311627 /nfs/dbraw/zinc/31/16/27/646311627.db2.gz AYIIBQZJSSTRIN-LBPRGKRZSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2CC[NH2+]C2(C)C)CC[N@@H+]1C ZINC000925519597 646312481 /nfs/dbraw/zinc/31/24/81/646312481.db2.gz UVGZGFQSKJZRTO-IJLUTSLNSA-N 2 0 225.380 1.199 20 0 BDADRP CCC[N@H+](CC)CCN[C@@H]1CC[NH2+]C1(C)C ZINC000925527904 646316676 /nfs/dbraw/zinc/31/66/76/646316676.db2.gz AXSREPSCFIZALH-GFCCVEGCSA-N 2 0 227.396 1.448 20 0 BDADRP CC(C)C[C@@H](CCO)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925528705 646317798 /nfs/dbraw/zinc/31/77/98/646317798.db2.gz VWDFLHOWWPMDDY-OLZOCXBDSA-N 2 0 242.407 1.761 20 0 BDADRP C[C@@H](CCCO)[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925553485 646331762 /nfs/dbraw/zinc/33/17/62/646331762.db2.gz SQVBIQNSRWYNDJ-RNJOBUHISA-N 2 0 240.391 1.514 20 0 BDADRP CC[N@H+](CCN[C@H]1CC[NH2+]C1(C)C)C1CC1 ZINC000925554990 646331961 /nfs/dbraw/zinc/33/19/61/646331961.db2.gz CLPCCPKWLVPCTR-LBPRGKRZSA-N 2 0 225.380 1.201 20 0 BDADRP CC[N@H+](CCN[C@H]1C[C@@H]([NH3+])C12CCC2)C(C)C ZINC000925557252 646332851 /nfs/dbraw/zinc/33/28/51/646332851.db2.gz NCCDDPKJHUSWNB-OLZOCXBDSA-N 2 0 239.407 1.576 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCOCC1CC1 ZINC000925558710 646333323 /nfs/dbraw/zinc/33/33/23/646333323.db2.gz VSLNFNIYRBCYLI-VTXSZYRJSA-N 2 0 238.375 1.519 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000925563112 646336019 /nfs/dbraw/zinc/33/60/19/646336019.db2.gz RMZCQNBRZZBIHG-AVGNSLFASA-N 2 0 237.391 1.343 20 0 BDADRP CC(C)(CO)C[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000925570409 646340465 /nfs/dbraw/zinc/34/04/65/646340465.db2.gz DZXGKUJIEVAVRV-STQMWFEESA-N 2 0 240.391 1.611 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH2+]C1(C)C ZINC000925573822 646341591 /nfs/dbraw/zinc/34/15/91/646341591.db2.gz PXPXKNBLAQPMIG-CHWSQXEVSA-N 2 0 239.407 1.591 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H]2CCSC2)C1 ZINC000925575262 646342575 /nfs/dbraw/zinc/34/25/75/646342575.db2.gz YYIJJYKZSHDIOF-GMTAPVOTSA-N 2 0 228.405 1.988 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCc3n[nH]cc3C2)C12CCC2 ZINC000925582522 646345917 /nfs/dbraw/zinc/34/59/17/646345917.db2.gz GNLRBWPXAAVBOR-UHTWSYAYSA-N 2 0 246.358 1.127 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccco2)C12CCC2 ZINC000925605498 646357070 /nfs/dbraw/zinc/35/70/70/646357070.db2.gz GWLFWMWXTSDFCL-WCQGTBRESA-N 2 0 236.315 1.173 20 0 BDADRP C[C@@H](O)C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925611704 646360878 /nfs/dbraw/zinc/36/08/78/646360878.db2.gz NVLXHQLAUOLXLV-YPMHNXCESA-N 2 0 222.332 1.437 20 0 BDADRP CCC1(O)CCC([NH2+][C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925617925 646365637 /nfs/dbraw/zinc/36/56/37/646365637.db2.gz XWIJNDLVOYJYCB-MBHSVXNSSA-N 2 0 240.391 1.800 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCF ZINC000925620684 646368420 /nfs/dbraw/zinc/36/84/20/646368420.db2.gz XEVJIIGHPBCHDD-IXBNRNDTSA-N 2 0 200.301 1.452 20 0 BDADRP C[C@@H](CCO)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925622370 646370329 /nfs/dbraw/zinc/37/03/29/646370329.db2.gz KSUPTNXMEFJYSY-RYUDHWBXSA-N 2 0 226.364 1.269 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCn2cccn2)C1 ZINC000925624328 646370541 /nfs/dbraw/zinc/37/05/41/646370541.db2.gz ZNZNFZRQYOUPJM-NWDGAFQWSA-N 2 0 236.363 1.379 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1cn[nH]c1 ZINC000925625447 646372814 /nfs/dbraw/zinc/37/28/14/646372814.db2.gz HVHDNVNVYTWTHL-MVWJERBFSA-N 2 0 236.363 1.966 20 0 BDADRP C[N@H+]1CC=C(CN[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925634415 646377734 /nfs/dbraw/zinc/37/77/34/646377734.db2.gz IJDKGMFHAGPUHY-CYBMUJFWSA-N 2 0 235.375 1.123 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCCCCO ZINC000925636174 646380789 /nfs/dbraw/zinc/38/07/89/646380789.db2.gz RMGSEECWHQJBSP-VTXSZYRJSA-N 2 0 240.391 1.645 20 0 BDADRP O[C@@H]1CC[C@@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925648560 646390297 /nfs/dbraw/zinc/39/02/97/646390297.db2.gz CJINERYQAVOTLH-IJLUTSLNSA-N 2 0 224.348 1.022 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CC[NH2+]C2(C)C)C[C@H](C)O1 ZINC000925654442 646393594 /nfs/dbraw/zinc/39/35/94/646393594.db2.gz MLQKMMLZZVZWNN-YVECIDJPSA-N 2 0 240.391 1.920 20 0 BDADRP CC[C@H](C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)OC ZINC000925674921 646400461 /nfs/dbraw/zinc/40/04/61/646400461.db2.gz FLJRIIVKHGQHGQ-SDDRHHMPSA-N 2 0 228.380 1.907 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925674606 646402531 /nfs/dbraw/zinc/40/25/31/646402531.db2.gz SJOZFVHCSMPANR-QWHCGFSZSA-N 2 0 240.391 1.515 20 0 BDADRP CC[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)OC ZINC000925674919 646404216 /nfs/dbraw/zinc/40/42/16/646404216.db2.gz FLJRIIVKHGQHGQ-IJLUTSLNSA-N 2 0 228.380 1.907 20 0 BDADRP C[C@@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C1CC1 ZINC000925678923 646407022 /nfs/dbraw/zinc/40/70/22/646407022.db2.gz AWWZANVYOIMZMF-LZHGVHGASA-N 2 0 206.333 1.371 20 0 BDADRP COCC[C@H](C)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925685337 646411617 /nfs/dbraw/zinc/41/16/17/646411617.db2.gz IJTFTOKFTXHWNJ-QWHCGFSZSA-N 2 0 240.391 1.923 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000925691502 646413371 /nfs/dbraw/zinc/41/33/71/646413371.db2.gz MGPLIJLRQQFLCU-SDDRHHMPSA-N 2 0 208.349 1.763 20 0 BDADRP COCC1CCC([NH2+][C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925691161 646416368 /nfs/dbraw/zinc/41/63/68/646416368.db2.gz NHDVZLONXVJOOH-WXRRBKDZSA-N 2 0 240.391 1.922 20 0 BDADRP CO[C@@H]([C@H](C)N[C@@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000925692045 646418019 /nfs/dbraw/zinc/41/80/19/646418019.db2.gz YRSUAYZKIGGSLK-UHTWSYAYSA-N 2 0 238.375 1.674 20 0 BDADRP C[C@H](N[C@@H]1C[C@@H]([NH3+])C12CCC2)[C@@H]1CCC[NH2+]C1 ZINC000925696330 646421670 /nfs/dbraw/zinc/42/16/70/646421670.db2.gz ZKDSDGOKFDWUAY-UMSGYPCISA-N 2 0 237.391 1.234 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925697882 646423009 /nfs/dbraw/zinc/42/30/09/646423009.db2.gz BGNFAKGVNMIDSZ-FRRDWIJNSA-N 3 0 241.423 2.000 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925697710 646423126 /nfs/dbraw/zinc/42/31/26/646423126.db2.gz HORPGSFWEWCIJV-JHJVBQTASA-N 2 0 241.423 2.000 20 0 BDADRP C1[C@@H](N[C@H]2CC[NH2+]C23CCC3)C12CC[NH2+]CC2 ZINC000925702520 646426689 /nfs/dbraw/zinc/42/66/89/646426689.db2.gz BABPBEPYHHKPQR-NWDGAFQWSA-N 2 0 235.375 1.003 20 0 BDADRP Cc1cncc(CCN[C@@H]2CC[NH2+]C23CCC3)n1 ZINC000925704178 646428884 /nfs/dbraw/zinc/42/88/84/646428884.db2.gz BVSCYVJDNSUBNL-CYBMUJFWSA-N 2 0 246.358 1.202 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H](NCCC[NH2+]C2CC2)C1 ZINC000925706607 646430343 /nfs/dbraw/zinc/43/03/43/646430343.db2.gz NJNQHBRVRMBSFT-DGCLKSJQSA-N 2 0 239.407 1.624 20 0 BDADRP C[C@H]([NH3+])[C@H](C)N[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925707554 646433023 /nfs/dbraw/zinc/43/30/23/646433023.db2.gz LEUYJSNFGSQHTN-IMIFBBOLSA-N 2 0 239.407 1.480 20 0 BDADRP C(C[NH2+][C@@H]1CC[NH2+]C12CCC2)C[C@H]1CCC[NH2+]1 ZINC000925710711 646434236 /nfs/dbraw/zinc/43/42/36/646434236.db2.gz QRBNPCFDQLESOH-CHWSQXEVSA-N 3 0 237.391 1.393 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1([NH3+])CCCC1 ZINC000925712170 646437483 /nfs/dbraw/zinc/43/74/83/646437483.db2.gz PQTWEBVZRNHZDA-MPEURRAXSA-N 3 0 237.391 1.363 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1CC13CC[NH2+]CC3)[NH2+]2 ZINC000925713372 646439356 /nfs/dbraw/zinc/43/93/56/646439356.db2.gz XSXQEUYXQVWSGT-XHJNMGKDSA-N 3 0 249.402 1.247 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925713350 646439553 /nfs/dbraw/zinc/43/95/53/646439553.db2.gz XQELUTAIZOIEOM-QWRGUYRKSA-N 3 0 213.369 1.234 20 0 BDADRP C[N@@H+]1CCC[C@H]1CN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925716634 646440617 /nfs/dbraw/zinc/44/06/17/646440617.db2.gz BHGURRQVCOASRR-XQQFMLRXSA-N 2 0 239.407 1.576 20 0 BDADRP C[C@@H]1CC[C@H](N[C@H]2CC[NH2+]C23CCC3)C[NH2+]1 ZINC000925717439 646441956 /nfs/dbraw/zinc/44/19/56/646441956.db2.gz JPIHGGNMPSVRLX-WOPDTQHZSA-N 2 0 223.364 1.001 20 0 BDADRP C[C@@H]([NH3+])[C@H](N[C@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1 ZINC000925720097 646444985 /nfs/dbraw/zinc/44/49/85/646444985.db2.gz WFHPNSQIDYVLRB-UXOAXIEHSA-N 2 0 247.386 1.805 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2ccc[nH]c2=O)C1 ZINC000925720681 646446990 /nfs/dbraw/zinc/44/69/90/646446990.db2.gz ZTIBVDRGPXSFDA-RYUDHWBXSA-N 2 0 249.358 1.783 20 0 BDADRP C1CC2(C1)[NH2+]CC[C@@H]2N[C@H]1CC[NH2+]C12CCCC2 ZINC000925722935 646448263 /nfs/dbraw/zinc/44/82/63/646448263.db2.gz LTOGEHQMWSYLDW-STQMWFEESA-N 2 0 249.402 1.535 20 0 BDADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925726610 646451262 /nfs/dbraw/zinc/45/12/62/646451262.db2.gz URWNAXHJPDWMLU-AVGNSLFASA-N 3 0 237.391 1.378 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C12CCC2 ZINC000925726181 646451834 /nfs/dbraw/zinc/45/18/34/646451834.db2.gz FVCHYRRDXDVTNL-NDKCEZKHSA-N 3 0 249.402 1.377 20 0 BDADRP CC[C@@H](NCCC(C)(C)[NH3+])[C@@H]1CCC[NH2+]1 ZINC000925737325 646460296 /nfs/dbraw/zinc/46/02/96/646460296.db2.gz MJPOZDFGVBKXLU-MNOVXSKESA-N 3 0 213.369 1.234 20 0 BDADRP C[C@@H](NCCC(C)(C)[NH3+])c1cc2n(n1)CCC2 ZINC000925736852 646460376 /nfs/dbraw/zinc/46/03/76/646460376.db2.gz DJEJPTLDCSWYHF-SNVBAGLBSA-N 2 0 236.363 1.607 20 0 BDADRP CC[C@@H](NCCC(C)(C)[NH3+])[C@@H]1CCCC[NH2+]1 ZINC000925738474 646460536 /nfs/dbraw/zinc/46/05/36/646460536.db2.gz VTKZXWGJCKCDHF-NEPJUHHUSA-N 2 0 227.396 1.624 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@H](C)c2cnccc2N)C1 ZINC000925736365 646460696 /nfs/dbraw/zinc/46/06/96/646460696.db2.gz MKCHSFJZZZIFBB-GMTAPVOTSA-N 2 0 235.331 1.570 20 0 BDADRP CC1(C[NH2+][C@@H]2CCC[C@H]2[NH3+])CC(F)(F)C1 ZINC000925735432 646460972 /nfs/dbraw/zinc/46/09/72/646460972.db2.gz ZTZZWYTYDVULFY-RKDXNWHRSA-N 2 0 218.291 1.891 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])C1 ZINC000925736065 646461031 /nfs/dbraw/zinc/46/10/31/646461031.db2.gz KVQOJACLCLJAAU-NAKRPEOUSA-N 2 0 200.326 1.127 20 0 BDADRP C[C@@H](NCCC(C)(C)[NH3+])c1c[nH+]ccc1N ZINC000925737366 646461049 /nfs/dbraw/zinc/46/10/49/646461049.db2.gz NKLBITFVIHEWQO-SECBINFHSA-N 2 0 222.336 1.272 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1NCCC(C)(C)[NH3+] ZINC000925739080 646462890 /nfs/dbraw/zinc/46/28/90/646462890.db2.gz ZVTLAQOOFQTNGZ-GHMZBOCLSA-N 2 0 213.369 1.092 20 0 BDADRP [NH3+]C1CCC([NH2+]C2(c3ncccn3)CCC2)CC1 ZINC000925763879 646466274 /nfs/dbraw/zinc/46/62/74/646466274.db2.gz XPPYXWFGAFPRDU-UHFFFAOYSA-N 2 0 246.358 1.715 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@H](NCc2cc(N)cc[nH+]2)C1 ZINC000925768095 646468200 /nfs/dbraw/zinc/46/82/00/646468200.db2.gz SKFHIQPGRJKLOY-RYUDHWBXSA-N 2 0 248.374 1.659 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1NCc1cc(N)cc[nH+]1 ZINC000925768789 646468401 /nfs/dbraw/zinc/46/84/01/646468401.db2.gz XFGKMGSQEMDTBW-GXFFZTMASA-N 2 0 234.347 1.142 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000925773107 646473753 /nfs/dbraw/zinc/47/37/53/646473753.db2.gz LYLBRMAHHHWZCB-SDDRHHMPSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC[C@H]1CC(C)(C)CO1 ZINC000925775721 646475265 /nfs/dbraw/zinc/47/52/65/646475265.db2.gz RMTHSKKWLKTYBY-TUAOUCFPSA-N 2 0 228.380 1.907 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000925785967 646481082 /nfs/dbraw/zinc/48/10/82/646481082.db2.gz QUMYOHXIPJFGTG-NTZNESFSSA-N 2 0 248.374 1.243 20 0 BDADRP COCCC[C@@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925792918 646485432 /nfs/dbraw/zinc/48/54/32/646485432.db2.gz WZADMDUGAGBDTC-UTUOFQBUSA-N 2 0 214.353 1.247 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925797729 646487181 /nfs/dbraw/zinc/48/71/81/646487181.db2.gz VLFWQGMWNOJRAW-NDBYEHHHSA-N 3 0 237.391 1.092 20 0 BDADRP C[C@@H](NCc1cc(N(C)C)cc[nH+]1)[C@H]1CC[NH2+]C1 ZINC000925813541 646492736 /nfs/dbraw/zinc/49/27/36/646492736.db2.gz UYXWNVHVQFJVAL-NEPJUHHUSA-N 2 0 248.374 1.235 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)[C@@H]1CC[NH2+]C1 ZINC000925829078 646499746 /nfs/dbraw/zinc/49/97/46/646499746.db2.gz AXNSCYACHPYVCV-RGDJUOJXSA-N 2 0 236.359 1.165 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000925829071 646500043 /nfs/dbraw/zinc/50/00/43/646500043.db2.gz AUOCEYZAJOOUKP-PDWCTOEPSA-N 2 0 236.359 1.295 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000925831593 646501469 /nfs/dbraw/zinc/50/14/69/646501469.db2.gz OXXPGSVITVHOHN-RNJOBUHISA-N 2 0 236.359 1.308 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](NC[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC000925837867 646504918 /nfs/dbraw/zinc/50/49/18/646504918.db2.gz INQYGXPVAWFFPJ-XJFOESAGSA-N 2 0 237.391 1.378 20 0 BDADRP CC(C)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925844864 646506211 /nfs/dbraw/zinc/50/62/11/646506211.db2.gz NCUQLIYKFYSRCF-UHFFFAOYSA-N 2 0 213.369 1.060 20 0 BDADRP C[C@H]1COCC[C@H]1[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925840419 646506713 /nfs/dbraw/zinc/50/67/13/646506713.db2.gz LNNJSSHHCZGDIA-REWJHTLYSA-N 2 0 238.375 1.533 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925841133 646506927 /nfs/dbraw/zinc/50/69/27/646506927.db2.gz FIRDCNXLOSCPLB-XJFOESAGSA-N 2 0 237.391 1.058 20 0 BDADRP C[C@@H](NC[C@]12CCC[C@H]1[NH2+]CC2)[C@@H]1CC[NH2+]C1 ZINC000925841839 646508657 /nfs/dbraw/zinc/50/86/57/646508657.db2.gz URMSMMBMYJOAQQ-AAVRWANBSA-N 2 0 237.391 1.106 20 0 BDADRP CC(C)[C@@H](C)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925849823 646509669 /nfs/dbraw/zinc/50/96/69/646509669.db2.gz QNINLCSOSFFTIH-CQSZACIVSA-N 2 0 241.423 1.696 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000925856603 646511701 /nfs/dbraw/zinc/51/17/01/646511701.db2.gz JYNCOYQCSDMFRG-YNEHKIRRSA-N 2 0 228.380 1.787 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000925860109 646512322 /nfs/dbraw/zinc/51/23/22/646512322.db2.gz VEHHFVHRWXJGQF-DGAVXFQQSA-N 2 0 240.391 1.515 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000925859502 646512619 /nfs/dbraw/zinc/51/26/19/646512619.db2.gz RMQIMSYRXWIPIL-WOPDTQHZSA-N 2 0 214.353 1.125 20 0 BDADRP COC[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)C(C)C ZINC000925872923 646523458 /nfs/dbraw/zinc/52/34/58/646523458.db2.gz BINPSTASYMSZBH-XQQFMLRXSA-N 2 0 228.380 1.765 20 0 BDADRP COC[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])C(C)C ZINC000925874742 646525623 /nfs/dbraw/zinc/52/56/23/646525623.db2.gz VLUKPIXRXSXGEG-SRVKXCTJSA-N 2 0 216.369 1.620 20 0 BDADRP COC[C@H](CC(C)C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925875037 646525809 /nfs/dbraw/zinc/52/58/09/646525809.db2.gz CCNTZGULYVVNNX-AGIUHOORSA-N 2 0 228.380 1.765 20 0 BDADRP COC[C@H](C[NH2+][C@@H]1CCC[C@H]1[NH3+])C(C)C ZINC000925874706 646525996 /nfs/dbraw/zinc/52/59/96/646525996.db2.gz UTYLRLISTRQMQU-QJPTWQEYSA-N 2 0 214.353 1.374 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)[C@H](C)O1 ZINC000925879287 646528744 /nfs/dbraw/zinc/52/87/44/646528744.db2.gz AIAOPWVCHKBWCE-LVEVGFFFSA-N 2 0 212.337 1.269 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@]12C[C@H]1CCC2 ZINC000925879630 646528846 /nfs/dbraw/zinc/52/88/46/646528846.db2.gz AZXJOFHFEAFRFI-MDZLAQPJSA-N 2 0 208.349 1.907 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+]C2CCC(O)CC2)C1 ZINC000925879411 646529036 /nfs/dbraw/zinc/52/90/36/646529036.db2.gz DEZKSADSVQARBO-DMOGRIERSA-N 2 0 212.337 1.007 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCCC[NH2+]1 ZINC000925880106 646529132 /nfs/dbraw/zinc/52/91/32/646529132.db2.gz ODKNLYZSTGQSKN-NDBYEHHHSA-N 3 0 225.380 1.234 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925880418 646529630 /nfs/dbraw/zinc/52/96/30/646529630.db2.gz RFANBEQBXARBQU-RFGFWPKPSA-N 2 0 240.391 1.909 20 0 BDADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879735 646529809 /nfs/dbraw/zinc/52/98/09/646529809.db2.gz JJFBTOQWKTXINT-MDZLAQPJSA-N 2 0 248.374 1.515 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)c2nccn21 ZINC000925880558 646531351 /nfs/dbraw/zinc/53/13/51/646531351.db2.gz RYSKMUNIISJLRP-WYUUTHIRSA-N 2 0 234.347 1.606 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(CO)CCC1 ZINC000926142016 646583343 /nfs/dbraw/zinc/58/33/43/646583343.db2.gz HRGYZYGJWGGCNN-FUNVUKJBSA-N 2 0 238.375 1.079 20 0 BDADRP C[C@@H]1CC[C@@H](C)C1[NH2+]CCOCC[NH+](C)C ZINC000926255131 646605970 /nfs/dbraw/zinc/60/59/70/646605970.db2.gz PMMTTYDKIUKYAD-VXGBXAGGSA-N 2 0 228.380 1.589 20 0 BDADRP C[C@H](C[NH2+][C@@H]1[C@@H](C)COC[C@H]1C)C[NH+](C)C ZINC000926472589 646651652 /nfs/dbraw/zinc/65/16/52/646651652.db2.gz KUPUODIMCMEJFZ-NDBYEHHHSA-N 2 0 228.380 1.445 20 0 BDADRP COC[C@@H](C[NH+]1CCC(CC[NH3+])CC1)C(C)C ZINC000721962610 711843682 /nfs/dbraw/zinc/84/36/82/711843682.db2.gz PWCCBGSRIJVMBS-CQSZACIVSA-N 2 0 242.407 1.966 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@@H](C[NH3+])C2)C1 ZINC000721918351 711919673 /nfs/dbraw/zinc/91/96/73/711919673.db2.gz FIBPLKIQCZDVDB-SDDRHHMPSA-N 2 0 212.337 1.082 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2CCCC[C@H]2CC[NH3+])C1 ZINC000721926344 711937664 /nfs/dbraw/zinc/93/76/64/711937664.db2.gz DUSNMVFBTZVMPV-RWMBFGLXSA-N 2 0 226.364 1.615 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)C1 ZINC000721959070 711948150 /nfs/dbraw/zinc/94/81/50/711948150.db2.gz DVWSGUXTMKOSGO-ZUWCUPBKSA-N 2 0 240.391 1.717 20 0 BDADRP COC1CC(C[NH2+][C@](C)(CN)C(C)C)C1 ZINC000703447405 712076147 /nfs/dbraw/zinc/07/61/47/712076147.db2.gz WWRLCHHCMPABSE-HTAVTVPLSA-N 2 0 214.353 1.374 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CC[C@H]1CCSC1 ZINC000704810560 712118396 /nfs/dbraw/zinc/11/83/96/712118396.db2.gz BIWJXVGQGQDPOC-NWDGAFQWSA-N 2 0 246.420 1.473 20 0 BDADRP C(C[C@H]1CCSC1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000704812830 712118532 /nfs/dbraw/zinc/11/85/32/712118532.db2.gz CRQQJCASRUCMKS-RYUDHWBXSA-N 2 0 228.405 1.861 20 0 BDADRP CCOC[C@H]1CC[N@H+](CCCCCC[NH3+])C1 ZINC000707522778 712171851 /nfs/dbraw/zinc/17/18/51/712171851.db2.gz JDJHQWKCBLLHKC-ZDUSSCGKSA-N 2 0 228.380 1.864 20 0 BDADRP CC1(C)CO[C@H](C[NH+]2CCC([NH3+])CC2)C1 ZINC000708325736 712186989 /nfs/dbraw/zinc/18/69/89/712186989.db2.gz XWWHXJBWFTUJSB-NSHDSACASA-N 2 0 212.337 1.225 20 0 BDADRP CC(C)[C@H]1C[N@H+](CCCCCC[NH3+])CCO1 ZINC000708949959 712203610 /nfs/dbraw/zinc/20/36/10/712203610.db2.gz FJHCQUONPSERIT-CYBMUJFWSA-N 2 0 228.380 1.862 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCc1ccns1 ZINC000710026099 712242390 /nfs/dbraw/zinc/24/23/90/712242390.db2.gz JEXFXYVRERKHCZ-GXSJLCMTSA-N 2 0 225.361 1.403 20 0 BDADRP c1csc([C@H]2CC[N@@H+](C[C@H]3CC[NH2+]C3)C2)n1 ZINC000710362980 712253173 /nfs/dbraw/zinc/25/31/73/712253173.db2.gz YPSPHOSESLFLFC-QWRGUYRKSA-N 2 0 237.372 1.542 20 0 BDADRP CC[N@@H+]1CC[C@@H](CN[C@@H]2CCC2(OC)OC)C1 ZINC000710959212 712268443 /nfs/dbraw/zinc/26/84/43/712268443.db2.gz LFSMURHBGHCLEN-NWDGAFQWSA-N 2 0 242.363 1.069 20 0 BDADRP C[C@@H]1[C@H](C)NC[C@H](C)[N@@H+]1CCCCCC[NH3+] ZINC000923434915 712322095 /nfs/dbraw/zinc/32/20/95/712322095.db2.gz CJIAHTVVLPEDHP-RWMBFGLXSA-N 2 0 227.396 1.576 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2C=CCC2)C12CCC2 ZINC000711754250 712324908 /nfs/dbraw/zinc/32/49/08/712324908.db2.gz TZYWZAGMWGPOTE-TUAOUCFPSA-N 2 0 206.333 1.812 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+]CCC(C)(C)[NH3+] ZINC000379511098 712386608 /nfs/dbraw/zinc/38/66/08/712386608.db2.gz XOSWFQSBCWWJKG-ZJUUUORDSA-N 2 0 200.326 1.128 20 0 BDADRP C[NH+](C)CCC[NH2+]C1CC(C(F)F)C1 ZINC000379530510 712387216 /nfs/dbraw/zinc/38/72/16/712387216.db2.gz INZPTUPKTNXYHT-UHFFFAOYSA-N 2 0 206.280 1.571 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCC(C)(C)O2)C[C@H]1C[NH3+] ZINC000714321648 712482035 /nfs/dbraw/zinc/48/20/35/712482035.db2.gz VQDHJQSIGJEILB-UPJWGTAASA-N 2 0 240.391 1.861 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CCCS1)C1C[NH2+]C1 ZINC000715642595 712529859 /nfs/dbraw/zinc/52/98/59/712529859.db2.gz KQRMYDMMNPCRCM-ONGXEEELSA-N 2 0 214.378 1.470 20 0 BDADRP CC[C@@H](C[C@H](C)O)[NH2+]CC1CC[NH+](C)CC1 ZINC000716804819 712575395 /nfs/dbraw/zinc/57/53/95/712575395.db2.gz ZXMLMNZHPUNWFB-AAEUAGOBSA-N 2 0 228.380 1.467 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC000717316245 712646716 /nfs/dbraw/zinc/64/67/16/712646716.db2.gz DOUKDMHSEGZDQH-NEPJUHHUSA-N 2 0 244.379 1.145 20 0 BDADRP CN(C[C@@H](O)C[NH2+]C1(C2CC2)CCC1)C1CC1 ZINC000717820563 712681398 /nfs/dbraw/zinc/68/13/98/712681398.db2.gz WRGOPGFOGQOSPN-ZDUSSCGKSA-N 2 0 238.375 1.364 20 0 BDADRP COCC(C)(C)CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000718792959 712784163 /nfs/dbraw/zinc/78/41/63/712784163.db2.gz SXCOTAPDVUZDNB-VXGBXAGGSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000719667329 712817978 /nfs/dbraw/zinc/81/79/78/712817978.db2.gz KWWCWQHQMALNJF-VXGBXAGGSA-N 2 0 212.337 1.097 20 0 BDADRP COC(C)(C)[C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C(C)C ZINC000720184364 712828776 /nfs/dbraw/zinc/82/87/76/712828776.db2.gz KTLPDJWUZCJOTD-NEPJUHHUSA-N 2 0 246.395 1.091 20 0 BDADRP CC[C@@H](C)[N@H+](CC)C[C@@H](O)CN1CCCC1 ZINC000381270063 710615212 /nfs/dbraw/zinc/61/52/12/710615212.db2.gz VGTHEOFTZROOPF-OLZOCXBDSA-N 2 0 228.380 1.564 20 0 BDADRP C[N@@H+]1CCCC[C@H]1CC[NH2+][C@H](CO)C1CC1 ZINC000381326869 710622897 /nfs/dbraw/zinc/62/28/97/710622897.db2.gz RJOCASQQZIZWDB-QWHCGFSZSA-N 2 0 226.364 1.221 20 0 BDADRP COC[C@@H](C[NH+]1CCC([C@H](C)[NH3+])CC1)C(C)C ZINC000721915930 710690355 /nfs/dbraw/zinc/69/03/55/710690355.db2.gz WFPPIEXINPVZPD-GXTWGEPZSA-N 2 0 242.407 1.964 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CC[C@H](C(C)(C)O)C2)CC1 ZINC000721772822 710685777 /nfs/dbraw/zinc/68/57/77/710685777.db2.gz NNCQXNZHRHLQMJ-ZDUSSCGKSA-N 2 0 240.391 1.421 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])C1 ZINC000721962813 710694186 /nfs/dbraw/zinc/69/41/86/710694186.db2.gz OTXNXOXRTOGFQK-FQUUOJAGSA-N 2 0 240.391 1.861 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H](COC)C(C)C)C1 ZINC000721963002 710694549 /nfs/dbraw/zinc/69/45/49/710694549.db2.gz QROWBGUKUISCNM-KBPBESRZSA-N 2 0 242.407 1.836 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])C1 ZINC000721962818 710694586 /nfs/dbraw/zinc/69/45/86/710694586.db2.gz OTXNXOXRTOGFQK-MQYQWHSLSA-N 2 0 240.391 1.861 20 0 BDADRP COC[C@H](C[NH+]1CCC([C@@H](C)[NH3+])CC1)C(C)C ZINC000721915938 710691011 /nfs/dbraw/zinc/69/10/11/710691011.db2.gz WFPPIEXINPVZPD-OCCSQVGLSA-N 2 0 242.407 1.964 20 0 BDADRP Cc1cccc(CC[NH2+]CC2CC[NH+](C)CC2)n1 ZINC000399812117 710911917 /nfs/dbraw/zinc/91/19/17/710911917.db2.gz SAJYGHGODVUGPI-UHFFFAOYSA-N 2 0 247.386 1.864 20 0 BDADRP CC(C)([NH3+])CCNC1CC[NH+](C(C)(C)C)CC1 ZINC000383851423 710965470 /nfs/dbraw/zinc/96/54/70/710965470.db2.gz MDFVSRIKMWJXDD-UHFFFAOYSA-N 3 0 241.423 1.966 20 0 BDADRP CC(C)OC[C@@H](O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000133513214 710970473 /nfs/dbraw/zinc/97/04/73/710970473.db2.gz COQROLKSQMNNLO-QWHCGFSZSA-N 2 0 246.395 1.078 20 0 BDADRP CCC[N@H+](CCCCCC[NH3+])CC(=O)N(C)C ZINC000383673705 710985543 /nfs/dbraw/zinc/98/55/43/710985543.db2.gz MQIKRGXYUWBIAS-UHFFFAOYSA-N 2 0 243.395 1.306 20 0 BDADRP CC[C@@H]1[C@@H](C)CC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000384165378 710989990 /nfs/dbraw/zinc/98/99/90/710989990.db2.gz RBZOEXFVHLZMBI-QNWHQSFQSA-N 2 0 210.365 1.962 20 0 BDADRP CN(C[C@H](O)CC1CCCC1)C1(C[NH3+])CCC1 ZINC000385131724 711005659 /nfs/dbraw/zinc/00/56/59/711005659.db2.gz AICFPHQRPVJNEZ-CYBMUJFWSA-N 2 0 240.391 1.741 20 0 BDADRP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H](C)O ZINC000386796076 711037166 /nfs/dbraw/zinc/03/71/66/711037166.db2.gz PFZSUTHMTQJBBA-XYTAGDGMSA-N 2 0 226.364 1.361 20 0 BDADRP CC[C@@H]1C[C@H]1C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000387782531 711047177 /nfs/dbraw/zinc/04/71/77/711047177.db2.gz DPWJFKOLPHFGTK-BWALOOPLSA-N 2 0 220.360 1.619 20 0 BDADRP C[C@H]([NH2+]CCC(C)(C)[NH3+])[C@@H]1CCCO1 ZINC000389254832 711074251 /nfs/dbraw/zinc/07/42/51/711074251.db2.gz DNUDUEVUHQPPDX-UWVGGRQHSA-N 2 0 200.326 1.271 20 0 BDADRP C[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000389318041 711076219 /nfs/dbraw/zinc/07/62/19/711076219.db2.gz FYUIADDGOZUIBG-WZRBSPASSA-N 2 0 208.349 1.859 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](CCCC(C)(F)F)C1 ZINC000390019673 711104558 /nfs/dbraw/zinc/10/45/58/711104558.db2.gz CMGMPVDEAYUREM-JTQLQIEISA-N 2 0 220.307 1.963 20 0 BDADRP Cc1nc(CC[NH2+]C[C@@H]([NH3+])CC(F)F)cs1 ZINC000390103488 711105706 /nfs/dbraw/zinc/10/57/06/711105706.db2.gz RGEKOIFBOJWPKT-QMMMGPOBSA-N 2 0 249.330 1.566 20 0 BDADRP CC1([NH3+])CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000390512804 711122946 /nfs/dbraw/zinc/12/29/46/711122946.db2.gz CETRCMXIDBDSOP-NSHDSACASA-N 2 0 212.337 1.226 20 0 BDADRP C[C@H](Cn1ccnc1)[NH2+]C1CC(C(F)F)C1 ZINC000393797879 711174586 /nfs/dbraw/zinc/17/45/86/711174586.db2.gz MGGMCTSXLGEOEL-XNWIYYODSA-N 2 0 229.274 1.905 20 0 BDADRP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)(C)O ZINC000394013835 711181124 /nfs/dbraw/zinc/18/11/24/711181124.db2.gz DEBNBHMGOZQSTA-PSEXLTFBSA-N 2 0 240.391 1.751 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@@H]1CCC[NH2+][C@H]1C ZINC000396612575 711361269 /nfs/dbraw/zinc/36/12/69/711361269.db2.gz KMSDKXYALRYIOI-QWHCGFSZSA-N 2 0 227.396 1.447 20 0 BDADRP C[C@@H]([NH2+]Cc1ncccn1)C1CC[NH+](C)CC1 ZINC000396469684 711221340 /nfs/dbraw/zinc/22/13/40/711221340.db2.gz ROQAFOLVJBTPDQ-LLVKDONJSA-N 2 0 234.347 1.297 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1NCC[NH+]1CCCCCC1 ZINC000396596570 711355145 /nfs/dbraw/zinc/35/51/45/711355145.db2.gz LTWQDAGFJZFYFO-UONOGXRCSA-N 2 0 239.407 1.593 20 0 BDADRP CC1CC[NH+](CCN[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000396602877 711359212 /nfs/dbraw/zinc/35/92/12/711359212.db2.gz NYNLALBWAKTKMN-KGLIPLIRSA-N 2 0 239.407 1.448 20 0 BDADRP CCC[N@H+](CC)CCN[C@H]1CCC[NH2+][C@H]1C ZINC000396678045 711365181 /nfs/dbraw/zinc/36/51/81/711365181.db2.gz USEKGHZMXKFUCG-STQMWFEESA-N 2 0 227.396 1.448 20 0 BDADRP C[C@H](C[NH2+][C@H]1CC[C@H]1C)N1CC[NH+](C)CC1 ZINC000381464480 710639813 /nfs/dbraw/zinc/63/98/13/710639813.db2.gz KUPIIIPJXOBDMZ-UPJWGTAASA-N 2 0 225.380 1.010 20 0 BDADRP COC[C@H](C[NH+]1CCC([C@H](C)[NH3+])CC1)C(C)C ZINC000721915934 710691169 /nfs/dbraw/zinc/69/11/69/710691169.db2.gz WFPPIEXINPVZPD-JSGCOSHPSA-N 2 0 242.407 1.964 20 0 BDADRP C[NH2+]C1CC[NH+](C[C@@H](COC)C(C)C)CC1 ZINC000721912988 710691460 /nfs/dbraw/zinc/69/14/60/710691460.db2.gz NPSHUJRCYYPWDV-LBPRGKRZSA-N 2 0 228.380 1.589 20 0 BDADRP CC[C@H](C)[C@H](CN[C@@H]1CCC[NH2+][C@@H]1C)OC ZINC000396724010 711364592 /nfs/dbraw/zinc/36/45/92/711364592.db2.gz VBIYEYQZLVQXMJ-LOWDOPEQSA-N 2 0 228.380 1.778 20 0 BDADRP CC(C)=CCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000397754202 711389261 /nfs/dbraw/zinc/38/92/61/711389261.db2.gz NOGOZUGVYRJSOR-QSLWVIQJSA-N 2 0 220.360 1.929 20 0 BDADRP C[C@@H](CC[NH+](C)C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000049553760 711448619 /nfs/dbraw/zinc/44/86/19/711448619.db2.gz SFMJOVIFWVYAPD-FUDCBSFHSA-N 2 0 239.407 1.541 20 0 BDADRP C[C@H](CC[NH+](C)C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000049553761 711448692 /nfs/dbraw/zinc/44/86/92/711448692.db2.gz SFMJOVIFWVYAPD-RLAWYHOSSA-N 2 0 239.407 1.541 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC(C)(C)CO1)C1C[NH2+]C1 ZINC000711241533 711459624 /nfs/dbraw/zinc/45/96/24/711459624.db2.gz XHCWLYYGPIALQM-JQWIXIFHSA-N 2 0 226.364 1.389 20 0 BDADRP Cc1nc(C)c(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)o1 ZINC000723633466 711527799 /nfs/dbraw/zinc/52/77/99/711527799.db2.gz KUIOYWWSGYSBAY-VXGBXAGGSA-N 2 0 235.331 1.475 20 0 BDADRP Cc1nc(C)c(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)o1 ZINC000723633465 711527988 /nfs/dbraw/zinc/52/79/88/711527988.db2.gz KUIOYWWSGYSBAY-RYUDHWBXSA-N 2 0 235.331 1.475 20 0 BDADRP Cc1nc(C)c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)o1 ZINC000723642462 711529591 /nfs/dbraw/zinc/52/95/91/711529591.db2.gz WCVSWXHTZLIPBY-XQQFMLRXSA-N 2 0 249.358 1.851 20 0 BDADRP Cc1nnsc1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723698438 711534999 /nfs/dbraw/zinc/53/49/99/711534999.db2.gz GHNUZJXZXNNNOW-VIFPVBQESA-N 2 0 226.349 1.017 20 0 BDADRP C[C@@H](c1cnccn1)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723892592 711544051 /nfs/dbraw/zinc/54/40/51/711544051.db2.gz SGZICNRPRKRQOK-GRYCIOLGSA-N 2 0 234.347 1.454 20 0 BDADRP Cc1ncccc1C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723909791 711544907 /nfs/dbraw/zinc/54/49/07/711544907.db2.gz QMHPCUUIHGZGBJ-DGCLKSJQSA-N 2 0 233.359 1.807 20 0 BDADRP COCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723901353 711544915 /nfs/dbraw/zinc/54/49/15/711544915.db2.gz FYWUXYSTDKHXPQ-GRYCIOLGSA-N 2 0 214.353 1.328 20 0 BDADRP C[C@@H]1C[C@@H](C)C[NH+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000382658741 711546731 /nfs/dbraw/zinc/54/67/31/711546731.db2.gz WQEJAAKDRWHTEH-MGPQQGTHSA-N 2 0 240.391 1.421 20 0 BDADRP C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000382658743 711546795 /nfs/dbraw/zinc/54/67/95/711546795.db2.gz WQEJAAKDRWHTEH-MJBXVCDLSA-N 2 0 240.391 1.421 20 0 BDADRP CCCCC[C@@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000092721350 711557850 /nfs/dbraw/zinc/55/78/50/711557850.db2.gz YVUIPKZVPOWVJG-CYBMUJFWSA-N 2 0 241.423 1.968 20 0 BDADRP O[C@@H](C[NH2+]CCC1CC=CC1)C[NH+]1CCCC1 ZINC000724199898 711568986 /nfs/dbraw/zinc/56/89/86/711568986.db2.gz SXAVLSOSZAGPAT-AWEZNQCLSA-N 2 0 238.375 1.389 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H]2CC23CC(O)C3)CC1 ZINC000724993184 711641833 /nfs/dbraw/zinc/64/18/33/711641833.db2.gz PISWAMRXZJPHSH-MOKVOYLWSA-N 2 0 238.375 1.364 20 0 BDADRP COC[C@@H](C[N@@H+]1CC[C@H](C[NH3+])C1)C(C)C ZINC000721915170 711694189 /nfs/dbraw/zinc/69/41/89/711694189.db2.gz UDXBEBARNXRJAE-VXGBXAGGSA-N 2 0 214.353 1.186 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@@H]1CCC[NH2+][C@@H]1C ZINC000396602272 711702513 /nfs/dbraw/zinc/70/25/13/711702513.db2.gz HKOZRQJFUHOCKH-YNEHKIRRSA-N 2 0 227.396 1.447 20 0 BDADRP C(C1CCOCC1)[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000257662726 711724441 /nfs/dbraw/zinc/72/44/41/711724441.db2.gz GOSROZPGPHUJFD-AWEZNQCLSA-N 2 0 238.375 1.631 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1C[C@H](OC)C1)[C@H]1CCCC[NH2+]1 ZINC000925735867 711731632 /nfs/dbraw/zinc/73/16/32/711731632.db2.gz IYUYVZIDPLTYFP-XDQVBPFNSA-N 2 0 240.391 1.922 20 0 BDADRP CCN1CCC[C@@H]([NH2+][C@H](C)CCCC[NH3+])C1=O ZINC000722339690 711740484 /nfs/dbraw/zinc/74/04/84/711740484.db2.gz AABHAOJJRPKDJU-VXGBXAGGSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@@H]([NH3+])CC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000037825066 711754964 /nfs/dbraw/zinc/75/49/64/711754964.db2.gz DLCBIPCAMLWLHW-LLVKDONJSA-N 2 0 241.379 1.057 20 0 BDADRP Cl/C=C/C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000725662262 711759339 /nfs/dbraw/zinc/75/93/39/711759339.db2.gz IFMYFEBGNVBOIH-ORCRQEGFSA-N 2 0 214.740 1.814 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C[C@]23CCC[C@H]2OCC3)C1 ZINC000925833475 711760037 /nfs/dbraw/zinc/76/00/37/711760037.db2.gz QQFFCZPJZQCTEL-REWJHTLYSA-N 2 0 238.375 1.805 20 0 BDADRP C[C@H]([NH2+]CCN1CCc2ccccc21)C1C[NH2+]C1 ZINC000925838158 711760295 /nfs/dbraw/zinc/76/02/95/711760295.db2.gz VZGYGGVZVKDGRN-LBPRGKRZSA-N 2 0 245.370 1.247 20 0 BDADRP Cn1ncc2c1CCC[C@@H]2[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000250806235 711760302 /nfs/dbraw/zinc/76/03/02/711760302.db2.gz NXNMEUCUOLVXPH-DRZSPHRISA-N 2 0 248.374 1.515 20 0 BDADRP CC(C)CCOCC[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000160043022 711775645 /nfs/dbraw/zinc/77/56/45/711775645.db2.gz CISRVHYGRZXHDP-CYBMUJFWSA-N 2 0 228.380 1.720 20 0 BDADRP CC(C)[C@@H]([NH3+])c1noc([C@@H]2CC[N@H+](C)C2)n1 ZINC000721349931 711802988 /nfs/dbraw/zinc/80/29/88/711802988.db2.gz IPTKGSBPOAANKM-RKDXNWHRSA-N 2 0 224.308 1.145 20 0 BDADRP CC[C@H](CCO)C[NH2+]CC1CC[NH+](C)CC1 ZINC000087362572 711835059 /nfs/dbraw/zinc/83/50/59/711835059.db2.gz VAPDPUDUZKCBGC-GFCCVEGCSA-N 2 0 228.380 1.326 20 0 BDADRP Cc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000229066698 711837387 /nfs/dbraw/zinc/83/73/87/711837387.db2.gz BOTXHBULYCASPG-FZMZJTMJSA-N 2 0 233.359 1.807 20 0 BDADRP COC[C@H](C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1)C(C)C ZINC000721911486 711917340 /nfs/dbraw/zinc/91/73/40/711917340.db2.gz JNJLPEZPBFLJIM-RWMBFGLXSA-N 2 0 228.380 1.574 20 0 BDADRP COC[C@H](C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1)C(C)C ZINC000721911484 711917371 /nfs/dbraw/zinc/91/73/71/711917371.db2.gz JNJLPEZPBFLJIM-FRRDWIJNSA-N 2 0 228.380 1.574 20 0 BDADRP COC[C@H](C[N@@H+]1CCC[C@@H](C[NH3+])C1)C(C)C ZINC000721916469 711919137 /nfs/dbraw/zinc/91/91/37/711919137.db2.gz XMKTYMMDOILBNG-STQMWFEESA-N 2 0 228.380 1.576 20 0 BDADRP COC[C@@H](C[NH+]1CCC(C)([NH3+])CC1)C(C)C ZINC000721920446 711920820 /nfs/dbraw/zinc/92/08/20/711920820.db2.gz PJSICERHUYWUKA-GFCCVEGCSA-N 2 0 228.380 1.718 20 0 BDADRP COC[C@H](C[NH+]1CCC(C)([NH3+])CC1)C(C)C ZINC000721920447 711920834 /nfs/dbraw/zinc/92/08/34/711920834.db2.gz PJSICERHUYWUKA-LBPRGKRZSA-N 2 0 228.380 1.718 20 0 BDADRP CCc1cnc(C[N@H+](C)C2CCC([NH3+])CC2)o1 ZINC000700319729 711990061 /nfs/dbraw/zinc/99/00/61/711990061.db2.gz SXUMWQZJYPKKCG-UHFFFAOYSA-N 2 0 237.347 1.939 20 0 BDADRP C[NH+](C)CCC1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000701420733 712022624 /nfs/dbraw/zinc/02/26/24/712022624.db2.gz RMYKMTHWITZTCX-OKILXGFUSA-N 3 0 239.407 1.387 20 0 BDADRP CCO[C@H]1CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000701713085 712028062 /nfs/dbraw/zinc/02/80/62/712028062.db2.gz CFPXIVCRPJJGNG-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCCCCCO)C2 ZINC000702066026 712037298 /nfs/dbraw/zinc/03/72/98/712037298.db2.gz SMJCEZARVKEVGU-QWHCGFSZSA-N 2 0 226.364 1.080 20 0 BDADRP CC(C)CCC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702118738 712039444 /nfs/dbraw/zinc/03/94/44/712039444.db2.gz ABUSMEVAJJGNJU-QWHCGFSZSA-N 2 0 210.365 1.964 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCC1SCCS1 ZINC000703396002 712075471 /nfs/dbraw/zinc/07/54/71/712075471.db2.gz IUHSLBVWXPFRPA-NXEZZACHSA-N 2 0 246.445 1.900 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCC1SCCS1 ZINC000703396003 712075520 /nfs/dbraw/zinc/07/55/20/712075520.db2.gz IUHSLBVWXPFRPA-UWVGGRQHSA-N 2 0 246.445 1.900 20 0 BDADRP CC(C)=CCC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703595439 712080770 /nfs/dbraw/zinc/08/07/70/712080770.db2.gz KNHLYJUESGDTAW-QWHCGFSZSA-N 2 0 208.349 1.884 20 0 BDADRP CC1(O)CCC([NH2+][C@@H]2CCC[NH2+]CC2)CC1 ZINC000703605235 712082214 /nfs/dbraw/zinc/08/22/14/712082214.db2.gz YTNJGOXDKUTRLL-PNESKVBLSA-N 2 0 226.364 1.412 20 0 BDADRP C[NH2+]CC1CC[NH+](CC2CC(OC)C2)CC1 ZINC000703866770 712092011 /nfs/dbraw/zinc/09/20/11/712092011.db2.gz OCCNBGJEKIOKCK-UHFFFAOYSA-N 2 0 226.364 1.343 20 0 BDADRP Cc1nccnc1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000704099965 712099766 /nfs/dbraw/zinc/09/97/66/712099766.db2.gz BCPZRRREEPAJAR-UHFFFAOYSA-N 2 0 234.347 1.487 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)C1 ZINC000704299160 712102948 /nfs/dbraw/zinc/10/29/48/712102948.db2.gz PNFOVIFHKQCKTQ-KXNHARMFSA-N 2 0 226.389 1.694 20 0 BDADRP C[C@]1(C[N@@H+]2CC[C@]3(CCOC3)C2)CCC[NH2+]C1 ZINC000707211440 712166778 /nfs/dbraw/zinc/16/67/78/712166778.db2.gz BFNTYUCBULXXIG-KBPBESRZSA-N 2 0 238.375 1.489 20 0 BDADRP C[N@H+](CCC[NH3+])C[C@H]1CC(C)(C)CO1 ZINC000708337148 712188289 /nfs/dbraw/zinc/18/82/89/712188289.db2.gz LCLGCHIZAADXTN-SNVBAGLBSA-N 2 0 200.326 1.082 20 0 BDADRP CC1(C)CO[C@@H](C[N@@H+]2CC[C@H](CC[NH3+])C2)C1 ZINC000708340093 712189469 /nfs/dbraw/zinc/18/94/69/712189469.db2.gz XYDXLFVEEQRMGS-NWDGAFQWSA-N 2 0 226.364 1.472 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@@H]2CC(C)(C)CO2)CC1 ZINC000708401737 712192901 /nfs/dbraw/zinc/19/29/01/712192901.db2.gz AFNMGJMGHLDZPR-ZDUSSCGKSA-N 2 0 240.391 1.875 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@H]2CC(C)(C)CO2)CC1 ZINC000708401735 712192922 /nfs/dbraw/zinc/19/29/22/712192922.db2.gz AFNMGJMGHLDZPR-CYBMUJFWSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1nc(CN2CC[C@@H]([NH+](C)C)[C@@H]2C)[nH]c1C ZINC000709065265 712207148 /nfs/dbraw/zinc/20/71/48/712207148.db2.gz NVAZZCIZLSOPHA-NWDGAFQWSA-N 2 0 236.363 1.551 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C[C@](C)(O)C[NH+](C)C)CS1 ZINC000709715493 712216904 /nfs/dbraw/zinc/21/69/04/712216904.db2.gz OSYZSKWABGRJAB-WOPDTQHZSA-N 2 0 246.420 1.173 20 0 BDADRP C[C@H](C[N@H+](C)CCOCC[NH3+])CC(C)(C)C ZINC000709192081 712217436 /nfs/dbraw/zinc/21/74/36/712217436.db2.gz YNEPEKQEFPGFQC-LBPRGKRZSA-N 2 0 230.396 1.966 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1NC1CC[NH+](C)CC1)[NH2+]2 ZINC000709284679 712219023 /nfs/dbraw/zinc/21/90/23/712219023.db2.gz NZZWAXHLMVXJPK-CABNGKKXSA-N 2 0 237.391 1.199 20 0 BDADRP C[C@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+]C1CCC([NH3+])CC1)[NH2+]2 ZINC000709293668 712219397 /nfs/dbraw/zinc/21/93/97/712219397.db2.gz URJNVLUHJMITGE-PALRGXBNSA-N 3 0 237.391 1.375 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1C[C@@H](O)C1(C)C)[NH2+]2 ZINC000709415414 712221182 /nfs/dbraw/zinc/22/11/82/712221182.db2.gz QWEKBHBVCVNERJ-HDLKOFKZSA-N 2 0 238.375 1.264 20 0 BDADRP C[N@H+](CC1CC[NH+](C)CC1)[C@H](CO)C(C)(C)C ZINC000709416425 712221360 /nfs/dbraw/zinc/22/13/60/712221360.db2.gz XGTNEGDYMWGYCG-CYBMUJFWSA-N 2 0 242.407 1.667 20 0 BDADRP C[N@H+](CC1CC[NH+](C)CC1)[C@@H](CO)C(C)(C)C ZINC000709416438 712221433 /nfs/dbraw/zinc/22/14/33/712221433.db2.gz XGTNEGDYMWGYCG-ZDUSSCGKSA-N 2 0 242.407 1.667 20 0 BDADRP c1n[nH]cc1CC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709787827 712227008 /nfs/dbraw/zinc/22/70/08/712227008.db2.gz BKOCNKHVWZAVKZ-CYBMUJFWSA-N 2 0 234.347 1.028 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CCc1ccns1 ZINC000709823952 712228806 /nfs/dbraw/zinc/22/88/06/712228806.db2.gz BAFDAWVWTPJRSA-SNVBAGLBSA-N 2 0 243.376 1.029 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCc1ccns1 ZINC000710026101 712241926 /nfs/dbraw/zinc/24/19/26/712241926.db2.gz JEXFXYVRERKHCZ-KOLCDFICSA-N 2 0 225.361 1.403 20 0 BDADRP CN(CC[NH3+])C[C@@H]1CC(C)(C)OC1(C)C ZINC000710236755 712249031 /nfs/dbraw/zinc/24/90/31/712249031.db2.gz CPJQEYGKXQEYOD-JTQLQIEISA-N 2 0 214.353 1.471 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1COC[C@@H]1C ZINC000710852597 712259251 /nfs/dbraw/zinc/25/92/51/712259251.db2.gz MCSOUBSSCNXZGD-RFQIPJPRSA-N 2 0 240.391 1.922 20 0 BDADRP C[NH+](C)CC1(O)CC[NH+](CC2CC=CC2)CC1 ZINC000710583227 712263072 /nfs/dbraw/zinc/26/30/72/712263072.db2.gz UJCADWWOVRUHST-UHFFFAOYSA-N 2 0 238.375 1.341 20 0 BDADRP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)C1CC1 ZINC000711286066 712292738 /nfs/dbraw/zinc/29/27/38/712292738.db2.gz IPBLYSWZQVPEKS-CYZMBNFOSA-N 2 0 208.349 1.907 20 0 BDADRP FC[C@@H]1CC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000711450763 712301718 /nfs/dbraw/zinc/30/17/18/712301718.db2.gz BWOXMBLFPUYTTO-RYUDHWBXSA-N 2 0 214.328 1.668 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@@H]1CCC2(CCC2)O1 ZINC000711469776 712302851 /nfs/dbraw/zinc/30/28/51/712302851.db2.gz OFRYMMYOVLOENJ-UPJWGTAASA-N 2 0 238.375 1.900 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000711471729 712303358 /nfs/dbraw/zinc/30/33/58/712303358.db2.gz UWDUGUXLWWKJGH-NWDGAFQWSA-N 2 0 224.348 1.369 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CCCCN1CCOC1CC1 ZINC000711732675 712320725 /nfs/dbraw/zinc/32/07/25/712320725.db2.gz RSGYUVQSNQDHTR-PWSUYJOCSA-N 2 0 212.337 1.367 20 0 BDADRP C[C@H]1CN[C@@H](C)[C@H](C)[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000923435144 712322493 /nfs/dbraw/zinc/32/24/93/712322493.db2.gz DRELJIDAVBFNOJ-ZDEQEGDKSA-N 2 0 225.380 1.057 20 0 BDADRP C[NH+](C)CCCC[NH2+]Cc1nccn1C1CC1 ZINC000711803918 712331930 /nfs/dbraw/zinc/33/19/30/712331930.db2.gz WUFYKWKAEQKAOM-UHFFFAOYSA-N 2 0 236.363 1.649 20 0 BDADRP C[C@@H](C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C[NH+](C)C ZINC000378907097 712367142 /nfs/dbraw/zinc/36/71/42/712367142.db2.gz ZQEFCAFWKBNHEK-RNJOBUHISA-N 2 0 210.365 1.962 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000712438281 712429654 /nfs/dbraw/zinc/42/96/54/712429654.db2.gz OASJFDLRVUFNBC-XQQFMLRXSA-N 2 0 238.375 1.757 20 0 BDADRP CC1([NH3+])CC[NH+](C[C@H]2CCC3(CCC3)O2)CC1 ZINC000712511085 712432252 /nfs/dbraw/zinc/43/22/52/712432252.db2.gz PINVAIDBNIHCCJ-GFCCVEGCSA-N 2 0 238.375 1.901 20 0 BDADRP CCN1CC[C@H]1C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000712586525 712434745 /nfs/dbraw/zinc/43/47/45/712434745.db2.gz MIQJHDKOMJFGGD-OCCSQVGLSA-N 2 0 239.407 1.401 20 0 BDADRP CN(C)CC(C)(C)[NH2+]CCCOC(F)(F)F ZINC000713413665 712459075 /nfs/dbraw/zinc/45/90/75/712459075.db2.gz QVMSQEGPHXDCBK-UHFFFAOYSA-N 2 0 242.285 1.843 20 0 BDADRP C[N@H+](C[C@@H]1CCC(C)(C)CO1)C1CC([NH3+])C1 ZINC000713587496 712465957 /nfs/dbraw/zinc/46/59/57/712465957.db2.gz QWDSSZWBADOREX-MCIGGMRASA-N 2 0 226.364 1.613 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2COCC2(C)C)C1 ZINC000715540138 712526831 /nfs/dbraw/zinc/52/68/31/712526831.db2.gz DLGXKZJESMFLSC-XQQFMLRXSA-N 2 0 240.391 1.874 20 0 BDADRP CC[C@@H]1COC[C@@H]1[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000715567456 712528816 /nfs/dbraw/zinc/52/88/16/712528816.db2.gz DZZHXCYAXUMNLE-RFGFWPKPSA-N 2 0 240.391 1.874 20 0 BDADRP CC[C@H]1COC[C@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715572660 712529329 /nfs/dbraw/zinc/52/93/29/712529329.db2.gz LWHOUMALXLIZOL-GFJIZPEISA-N 2 0 240.391 1.874 20 0 BDADRP C[C@H](C[C@@H]1COCCN1)[NH2+]CCCCC1CC1 ZINC000716370468 712556926 /nfs/dbraw/zinc/55/69/26/712556926.db2.gz IOGCXZHWPVSHAF-TZMCWYRMSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC2(CCC2)CO1)C1C[NH2+]C1 ZINC000716592631 712564445 /nfs/dbraw/zinc/56/44/45/712564445.db2.gz FNIABWZEWHMLMS-AAEUAGOBSA-N 2 0 238.375 1.533 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCC2(CCC2)CO1)C1C[NH2+]C1 ZINC000716592635 712564637 /nfs/dbraw/zinc/56/46/37/712564637.db2.gz FNIABWZEWHMLMS-DGCLKSJQSA-N 2 0 238.375 1.533 20 0 BDADRP CO[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)CC[NH+](C)C ZINC000379844660 712616476 /nfs/dbraw/zinc/61/64/76/712616476.db2.gz HORBBQQQXNBWIY-SDDRHHMPSA-N 2 0 214.353 1.484 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1ncc[nH]1 ZINC000379854586 712616878 /nfs/dbraw/zinc/61/68/78/712616878.db2.gz BKJHXZOCHFZYIJ-UWVGGRQHSA-N 2 0 210.325 1.578 20 0 BDADRP CC(C)[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000717052843 712625662 /nfs/dbraw/zinc/62/56/62/712625662.db2.gz WWBQTKFXZUZYEE-ZJUUUORDSA-N 2 0 220.307 1.865 20 0 BDADRP CC1(C)CO[C@H](C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000717283752 712644627 /nfs/dbraw/zinc/64/46/27/712644627.db2.gz FRKWUWJCMLOXFR-WOPDTQHZSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CC(C)(C)CO1 ZINC000717283714 712644634 /nfs/dbraw/zinc/64/46/34/712644634.db2.gz FGRLXKCXPAIDBZ-NWDGAFQWSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@H](O)CCC[N@@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000717428896 712657352 /nfs/dbraw/zinc/65/73/52/712657352.db2.gz GGKVDUQOZSTLAZ-XQQFMLRXSA-N 2 0 226.364 1.316 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H](CO)C2CCC2)C12CCC2 ZINC000717596168 712661075 /nfs/dbraw/zinc/66/10/75/712661075.db2.gz VKUOFOPPOYEKHR-IJLUTSLNSA-N 2 0 224.348 1.007 20 0 BDADRP Cc1coc(C[NH2+]CC2(O)CC[NH+](C)CC2)c1 ZINC000718134637 712747567 /nfs/dbraw/zinc/74/75/67/712747567.db2.gz ZSRVNGMEHRFTKQ-UHFFFAOYSA-N 2 0 238.331 1.134 20 0 BDADRP CC(F)(F)CCC[NH+]1CCC(O)(C[NH3+])CC1 ZINC000718608424 712773070 /nfs/dbraw/zinc/77/30/70/712773070.db2.gz APIDTCWXOIBYMV-UHFFFAOYSA-N 2 0 236.306 1.207 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000719777649 712823738 /nfs/dbraw/zinc/82/37/38/712823738.db2.gz HPFULGVLGHYGEA-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP C[N@H+](CCC[NH3+])C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000720868394 712871851 /nfs/dbraw/zinc/87/18/51/712871851.db2.gz XWFCJEUDSXMGGX-WOPDTQHZSA-N 2 0 212.337 1.225 20 0 BDADRP [NH3+]CC1CC[NH+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)CC1 ZINC000720874446 712872451 /nfs/dbraw/zinc/87/24/51/712872451.db2.gz SBPJUYIWLCEXQW-MELADBBJSA-N 2 0 238.375 1.615 20 0 BDADRP [NH3+]C[C@H]1C[N@H+](CCCF)C[C@H]1C(F)(F)F ZINC000720872511 712873268 /nfs/dbraw/zinc/87/32/68/712873268.db2.gz PMKWGCKTUJOKQS-JGVFFNPUSA-N 2 0 228.233 1.415 20 0 BDADRP CN1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC[C@H]1CC[NH2+]C1 ZINC000720890481 712875318 /nfs/dbraw/zinc/87/53/18/712875318.db2.gz MBRLOUQWEOILJQ-HZSPNIEDSA-N 2 0 237.391 1.155 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000720893509 712876223 /nfs/dbraw/zinc/87/62/23/712876223.db2.gz KWTKOEYHYGOFJZ-RFGFWPKPSA-N 2 0 237.391 1.010 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@H](O)C2)c2ccccc21 ZINC000720935929 712880124 /nfs/dbraw/zinc/88/01/24/712880124.db2.gz KWIMTWJXQWNQIE-DMTCVQMQSA-N 2 0 232.327 1.492 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+](C[C@@H]1CCCO1)CC2 ZINC001207887933 956876006 /nfs/dbraw/zinc/87/60/06/956876006.db2.gz SAXGFAQWYQYTLO-LBPRGKRZSA-N 2 0 224.348 1.193 20 0 BDADRP C[NH+](C)Cc1ccnc(N2CC[C@@H]3[NH2+]CC[C@@H]32)c1 ZINC001164412783 718876591 /nfs/dbraw/zinc/87/65/91/718876591.db2.gz YZNPSUFLQRZMDU-STQMWFEESA-N 2 0 246.358 1.084 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2OC)C1 ZINC000692998896 957412184 /nfs/dbraw/zinc/41/21/84/957412184.db2.gz QCMFCTOMDORRBP-MGPQQGTHSA-N 2 0 240.391 1.875 20 0 BDADRP C[NH+](C)[C@@H]1CCCN(c2cc(N)cc[nH+]2)C1 ZINC000084419423 721885174 /nfs/dbraw/zinc/88/51/74/721885174.db2.gz GQHHOVGETNTHKA-LLVKDONJSA-N 2 0 220.320 1.194 20 0 BDADRP C[C@@H]1CC[C@H](NCCC[NH+]2CCCC2)C[NH2+]1 ZINC000399099071 958502938 /nfs/dbraw/zinc/50/29/38/958502938.db2.gz ZMWWDXNHDSIDIQ-OLZOCXBDSA-N 2 0 225.380 1.202 20 0 BDADRP CCN(CC)[C@@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000693543605 958743352 /nfs/dbraw/zinc/74/33/52/958743352.db2.gz KIDSQZCEZIMXKH-FRRDWIJNSA-N 2 0 225.380 1.140 20 0 BDADRP CC[N@H+](C)C1CC[NH+]([C@H]2CCO[C@@H](C)C2)CC1 ZINC001168141803 963847558 /nfs/dbraw/zinc/84/75/58/963847558.db2.gz JZUVISBUAOHDIO-JSGCOSHPSA-N 2 0 240.391 1.970 20 0 BDADRP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H](O)C[NH3+] ZINC001168150151 963868580 /nfs/dbraw/zinc/86/85/80/963868580.db2.gz RHKHAXQRKNZWSN-BXKDBHETSA-N 2 0 242.750 1.180 20 0 BDADRP C[NH+](C)C1CCC(n2ccc(CC[NH3+])n2)CC1 ZINC001168297542 964391997 /nfs/dbraw/zinc/39/19/97/964391997.db2.gz BVFRYIGUJCDXSN-UHFFFAOYSA-N 2 0 236.363 1.430 20 0 BDADRP C[C@@H](CC[NH2+][C@H]1CO[C@H](C)C1)[NH+](C)C ZINC000697836529 964554049 /nfs/dbraw/zinc/55/40/49/964554049.db2.gz IXCYCVRJVHHADN-HBNTYKKESA-N 2 0 200.326 1.094 20 0 BDADRP COCC[N@H+](C)C1CC[NH+](CC2CC2)CC1 ZINC001168370890 964933324 /nfs/dbraw/zinc/93/33/24/964933324.db2.gz HXCQHSPBQDQZEY-UHFFFAOYSA-N 2 0 226.364 1.439 20 0 BDADRP CCO[C@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000701779456 965822277 /nfs/dbraw/zinc/82/22/77/965822277.db2.gz AQNVNBHBJSZFGW-RYUDHWBXSA-N 2 0 212.337 1.097 20 0 BDADRP CC[C@H]1COC[C@@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000699543815 965957813 /nfs/dbraw/zinc/95/78/13/965957813.db2.gz PCZAMBFSPJZTOE-STQMWFEESA-N 2 0 240.391 1.733 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2CCCNCC2)CC1 ZINC000715555782 967152810 /nfs/dbraw/zinc/15/28/10/967152810.db2.gz YBCDAGJGXLDEPE-UHFFFAOYSA-N 2 0 225.380 1.155 20 0 BDADRP C[C@@H]1CCN(CC[C@@H]2CCCC[NH2+]2)C[C@@H]1C[NH3+] ZINC001205295717 967499507 /nfs/dbraw/zinc/49/95/07/967499507.db2.gz BANCZRJFRWTNRT-RDBSUJKOSA-N 2 0 239.407 1.435 20 0 BDADRP C[C@@H]1CC[N@H+](CC2(C)COC2)CC[C@@H]1C[NH3+] ZINC001205603112 967721304 /nfs/dbraw/zinc/72/13/04/967721304.db2.gz NRVBGIMSTOSIGD-VXGBXAGGSA-N 2 0 226.364 1.330 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@H]2CCCOC2)CC[C@H]1C[NH3+] ZINC001205600504 967721342 /nfs/dbraw/zinc/72/13/42/967721342.db2.gz CCMDDPBWFVYFIZ-MCIONIFRSA-N 2 0 240.391 1.720 20 0 BDADRP COC(=O)CCC[N@@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205985324 967936254 /nfs/dbraw/zinc/93/62/54/967936254.db2.gz XIQFNOSJPFAXCK-VXGBXAGGSA-N 2 0 242.363 1.246 20 0 BDADRP C[C@H]1C[N@@H+](C2CCSCC2)C[C@H]1C[NH3+] ZINC000708864696 967941172 /nfs/dbraw/zinc/94/11/72/967941172.db2.gz ZQRHILWECPWEAU-VHSXEESVSA-N 2 0 214.378 1.409 20 0 BDADRP CO[C@H](C)C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC001206214995 968146065 /nfs/dbraw/zinc/14/60/65/968146065.db2.gz JFXIPZFCURFSBW-NEPJUHHUSA-N 2 0 214.353 1.343 20 0 BDADRP C[C@H](CC[NH2+][C@@H](C)Cc1ccno1)[NH+](C)C ZINC001206838289 968492873 /nfs/dbraw/zinc/49/28/73/968492873.db2.gz NGYPOOKXDJJPOC-WDEREUQCSA-N 2 0 225.336 1.535 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCCC23COC3)CC1 ZINC001207398325 968751659 /nfs/dbraw/zinc/75/16/59/968751659.db2.gz IFSWJJFUVYVFST-UHFFFAOYSA-N 2 0 224.348 1.193 20 0 BDADRP c1nc2c(s1)C[N@H+](CC1CC[NH2+]CC1)CC2 ZINC001207439081 968773207 /nfs/dbraw/zinc/77/32/07/968773207.db2.gz LKIRYQXFDDNYDS-UHFFFAOYSA-N 2 0 237.372 1.501 20 0 BDADRP [NH3+]Cc1ccccc1C=C1CC[NH2+]CC1 ZINC001240876704 968787452 /nfs/dbraw/zinc/78/74/52/968787452.db2.gz FAKPPBIMQXHCTE-UHFFFAOYSA-N 2 0 202.301 1.912 20 0 BDADRP C[C@H]1COCC[N@H+](CCC2CC[NH+](C)CC2)C1 ZINC001207480139 968797862 /nfs/dbraw/zinc/79/78/62/968797862.db2.gz UTKLYSHEQHGKLU-CYBMUJFWSA-N 2 0 240.391 1.687 20 0 BDADRP C[NH+]1CCC2(C[NH+](C[C@H]3CCCO3)C2)CC1 ZINC001207887224 968912213 /nfs/dbraw/zinc/91/22/13/968912213.db2.gz FFISUQRGJXGTKM-GFCCVEGCSA-N 2 0 224.348 1.193 20 0 BDADRP CN1CCC[N@H+](CC2(C)CC[NH+](C)CC2)CC1 ZINC001208105359 969002017 /nfs/dbraw/zinc/00/20/17/969002017.db2.gz VCYLQVHRVCUPBH-UHFFFAOYSA-N 2 0 239.407 1.356 20 0 BDADRP C[C@H]1C[C@@H](CO)[N@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208108633 969002390 /nfs/dbraw/zinc/00/23/90/969002390.db2.gz XBSQGGUJYKULPO-STQMWFEESA-N 2 0 240.391 1.421 20 0 BDADRP C[C@H]1C[N@H+](CC2(C)CC[NH+](C)CC2)CCO1 ZINC001208108360 969002804 /nfs/dbraw/zinc/00/28/04/969002804.db2.gz UMFZNWCPBYAWOM-LBPRGKRZSA-N 2 0 226.364 1.439 20 0 BDADRP CC[NH+](CC)C[C@@H](O)C[NH2+][C@H]1CC[C@@H](F)CC1 ZINC001253202276 969106185 /nfs/dbraw/zinc/10/61/85/969106185.db2.gz GAQVAJGVNXYLKX-XQQFMLRXSA-N 2 0 246.370 1.559 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CC[C@H](O)C[C@H]2C)CC1 ZINC001208597074 969148362 /nfs/dbraw/zinc/14/83/62/969148362.db2.gz BSOFBYNSILCIJT-OCCSQVGLSA-N 2 0 240.391 1.564 20 0 BDADRP CC[N@H+](CCN(C)C)CC1CC[NH+](CC)CC1 ZINC001208595479 969150774 /nfs/dbraw/zinc/15/07/74/969150774.db2.gz UKBFXITYBKIAKE-UHFFFAOYSA-N 2 0 241.423 1.602 20 0 BDADRP CC[NH+]1CCC(C[N@H+](C)CC2COC2)CC1 ZINC001208597579 969150867 /nfs/dbraw/zinc/15/08/67/969150867.db2.gz JELGPMXCLDFSGC-UHFFFAOYSA-N 2 0 226.364 1.297 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CC[C@@H]2COC)CC1 ZINC001208604397 969154319 /nfs/dbraw/zinc/15/43/19/969154319.db2.gz OBPGXWIHDIKQHE-CYBMUJFWSA-N 2 0 226.364 1.439 20 0 BDADRP CC[NH+]1CCC(C[NH+]2CC(COC)C2)CC1 ZINC001208595485 969152934 /nfs/dbraw/zinc/15/29/34/969152934.db2.gz UOSNIBMKOVXYST-UHFFFAOYSA-N 2 0 226.364 1.297 20 0 BDADRP CCN(CC[NH+]1CCCCC1)C[C@@H](C)[NH3+] ZINC000723461180 969253262 /nfs/dbraw/zinc/25/32/62/969253262.db2.gz NTPZQNQDBJRQEP-GFCCVEGCSA-N 2 0 213.369 1.141 20 0 BDADRP CCOC(C)(C)C[NH+]1C[C@@H]2C[NH+](CC)C[C@H]2C1 ZINC001209078913 969348753 /nfs/dbraw/zinc/34/87/53/969348753.db2.gz ORRBKSMLLCNECO-STQMWFEESA-N 2 0 240.391 1.685 20 0 BDADRP Cc1nc[nH]c1CC[NH2+]C[C@@H](O)C(C)(C)C ZINC001253741507 969362630 /nfs/dbraw/zinc/36/26/30/969362630.db2.gz YWAFKAWHTDOREN-LLVKDONJSA-N 2 0 225.336 1.257 20 0 BDADRP COC(C)(C)CC[N@H+](C)C1CCN(C)CC1 ZINC001209404360 969471999 /nfs/dbraw/zinc/47/19/99/969471999.db2.gz WGPPSSJJGSPPSC-UHFFFAOYSA-N 2 0 228.380 1.828 20 0 BDADRP CCOC(=O)C[C@@H](C)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001254499804 969658307 /nfs/dbraw/zinc/65/83/07/969658307.db2.gz AXHIQCHAJBZYFB-NEPJUHHUSA-N 2 0 242.363 1.402 20 0 BDADRP C[NH+]1CCCN([C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254516220 969686645 /nfs/dbraw/zinc/68/66/45/969686645.db2.gz KSFVFMCVEJOGEW-CYBMUJFWSA-N 2 0 225.380 1.108 20 0 BDADRP C[C@@H]1C[N@@H+]([C@H]2CCC[NH+](C)CC2)CCC[C@@H]1O ZINC001254517657 969694392 /nfs/dbraw/zinc/69/43/92/969694392.db2.gz XPYVHZUVQIRDGM-RDBSUJKOSA-N 2 0 240.391 1.564 20 0 BDADRP C[N@H+](C1CCOCC1)[C@H]1CCC[NH+](C)CC1 ZINC001254516835 969698705 /nfs/dbraw/zinc/69/87/05/969698705.db2.gz QKRUQKRHTWAWIY-LBPRGKRZSA-N 2 0 226.364 1.582 20 0 BDADRP CC[N@@H+]1CCN([C@H]2CCC[NH+](C)CC2)C[C@H]1C ZINC001254531066 969730066 /nfs/dbraw/zinc/73/00/66/969730066.db2.gz CGUSYSOIRLBPEV-KGLIPLIRSA-N 2 0 239.407 1.497 20 0 BDADRP CCCN(CCC[NH+](C)C)[C@H]1CC[N@H+](C)C1 ZINC001255440494 970172047 /nfs/dbraw/zinc/17/20/47/970172047.db2.gz DHWBTNVOBHMQOY-ZDUSSCGKSA-N 2 0 227.396 1.354 20 0 BDADRP C[NH+](C)[C@H]1CCCN([C@H]2CCC[N@H+](C)C2)C1 ZINC001255485340 970232156 /nfs/dbraw/zinc/23/21/56/970232156.db2.gz BLGFLTUYRUXHHJ-STQMWFEESA-N 2 0 225.380 1.107 20 0 BDADRP COC[C@H](C)[NH2+]C(C)(C)CC[NH+](C)C ZINC001255560278 970338992 /nfs/dbraw/zinc/33/89/92/970338992.db2.gz NOFYVEXZCPIMSX-JTQLQIEISA-N 2 0 202.342 1.341 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+][C@@]1(C)CCOC1 ZINC001255950625 970562957 /nfs/dbraw/zinc/56/29/57/970562957.db2.gz BPPXRTUQFCFPJP-STQMWFEESA-N 2 0 228.380 1.875 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H](C)CO ZINC001255940711 970569114 /nfs/dbraw/zinc/56/91/14/970569114.db2.gz FRONEPMUOFOOBL-GHMZBOCLSA-N 2 0 202.342 1.077 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+][C@H]1CC[C@@H](O)C1 ZINC001255941391 970572452 /nfs/dbraw/zinc/57/24/52/970572452.db2.gz PQFKIOHOKXQDBH-RWMBFGLXSA-N 2 0 228.380 1.610 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H]1C[C@H](OC)C1 ZINC001255942595 970578967 /nfs/dbraw/zinc/57/89/67/970578967.db2.gz GBJYLGAYXJJEQW-JHJVBQTASA-N 2 0 228.380 1.874 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]C[C@H]1C[C@@](C)(O)C1 ZINC001255942245 970579412 /nfs/dbraw/zinc/57/94/12/970579412.db2.gz DURPAABUPMIQSG-MELADBBJSA-N 2 0 242.407 1.857 20 0 BDADRP CC[NH+](CC)CC[C@H](C)NC1(C[NH3+])CC1 ZINC001255950801 970584149 /nfs/dbraw/zinc/58/41/49/970584149.db2.gz CKYIAPUUBGZBLF-NSHDSACASA-N 2 0 213.369 1.188 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@@H](O)CC1 ZINC001255956032 970594350 /nfs/dbraw/zinc/59/43/50/970594350.db2.gz GBFKHZTWRLHYJE-UONOGXRCSA-N 2 0 242.407 1.954 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC[C@@](C)(O)C1 ZINC001255962904 970599885 /nfs/dbraw/zinc/59/98/85/970599885.db2.gz BWAYYGFXNKKVIK-ZIAGYGMSSA-N 2 0 242.407 1.954 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N(C)[C@H]1CC[N@H+](C)C1 ZINC001255965077 970601721 /nfs/dbraw/zinc/60/17/21/970601721.db2.gz XPHAFCQOCPURQB-KGLIPLIRSA-N 2 0 241.423 1.743 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CCOC1)C1CC[NH2+]CC1 ZINC000400631289 970612326 /nfs/dbraw/zinc/61/23/26/970612326.db2.gz GRTHEGSKLYYCQV-VXGBXAGGSA-N 2 0 226.364 1.391 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CO1 ZINC000401858530 970738547 /nfs/dbraw/zinc/73/85/47/970738547.db2.gz HFXCGTZALAWLJT-WOPDTQHZSA-N 2 0 224.348 1.238 20 0 BDADRP C[C@H]([NH3+])C[N@@H+]1CCC[C@H](C2CCOCC2)C1 ZINC001332814682 975286545 /nfs/dbraw/zinc/28/65/45/975286545.db2.gz BOLLBTCJMTZSLN-AAEUAGOBSA-N 2 0 226.364 1.472 20 0 BDADRP CCC[NH2+]CCN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC001332875302 975305492 /nfs/dbraw/zinc/30/54/92/975305492.db2.gz APEDOFRZSBHSBI-NEPJUHHUSA-N 2 0 227.396 1.482 20 0 BDADRP CCN1CC[C@H]([NH2+][C@H]2CCN(C3CCC3)C2)C1 ZINC001173353916 975306197 /nfs/dbraw/zinc/30/61/97/975306197.db2.gz SGKMCJUNELTIRJ-STQMWFEESA-N 2 0 237.391 1.297 20 0 BDADRP CC[NH2+]CCCC[C@H](C)NC(=O)CC[NH+](C)C ZINC001175048617 977244868 /nfs/dbraw/zinc/24/48/68/977244868.db2.gz IZFRDRBMIMLWSS-LBPRGKRZSA-N 2 0 243.395 1.223 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCO[C@H](C)C2)C1 ZINC001177542871 978391935 /nfs/dbraw/zinc/39/19/35/978391935.db2.gz VLMMCFUVXKJFNA-MGPQQGTHSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)(C)CC[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235056210 978967815 /nfs/dbraw/zinc/96/78/15/978967815.db2.gz WMEQDAIXRANKCJ-CYBMUJFWSA-N 2 0 225.380 1.060 20 0 BDADRP CCCCC[NH+]1CCN(C[C@H](C)[NH3+])CC1 ZINC001235689939 979117399 /nfs/dbraw/zinc/11/73/99/979117399.db2.gz CNLCRQTZVAVNJE-LBPRGKRZSA-N 2 0 213.369 1.141 20 0 BDADRP CN(CCC1CC[NH2+]CC1)C[C@H]1CCC[NH2+]1 ZINC001235715946 979133052 /nfs/dbraw/zinc/13/30/52/979133052.db2.gz ZAPUSQBDRNXNGQ-CYBMUJFWSA-N 2 0 225.380 1.060 20 0 BDADRP [NH3+]CCC1CN(CCC[NH2+]C2CCCCC2)C1 ZINC001235919517 979200432 /nfs/dbraw/zinc/20/04/32/979200432.db2.gz XZHSEGMPVZXBKJ-UHFFFAOYSA-N 2 0 239.407 1.579 20 0 BDADRP CN(CC[C@H]1CCCC[NH2+]1)C[C@@H]1CCC[NH2+]C1 ZINC001235951868 979201722 /nfs/dbraw/zinc/20/17/22/979201722.db2.gz USBRRMUYDAUIDU-ZIAGYGMSSA-N 2 0 239.407 1.450 20 0 BDADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H]1CCCCC[NH2+]1 ZINC001341240985 979289399 /nfs/dbraw/zinc/28/93/99/979289399.db2.gz HSVHHYLLLVNKAE-RYUDHWBXSA-N 2 0 241.379 1.008 20 0 BDADRP CC(C)C[C@](C)(C[NH3+])C(=O)NC[C@H](C)[NH+](C)C ZINC001341672221 979506940 /nfs/dbraw/zinc/50/69/40/979506940.db2.gz BOEYSCMWTQXKRZ-WCQYABFASA-N 2 0 243.395 1.064 20 0 BDADRP CC[C@H]([NH3+])CN(CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236458773 979599162 /nfs/dbraw/zinc/59/91/62/979599162.db2.gz XWOMSEOINDRRID-LBPRGKRZSA-N 2 0 241.423 1.824 20 0 BDADRP CC(C)C[N@H+](C[C@@H](C)N)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236552758 979635692 /nfs/dbraw/zinc/63/56/92/979635692.db2.gz ZHQOBRYOBFRJOO-JHJVBQTASA-N 2 0 227.396 1.562 20 0 BDADRP C[C@]1(C[NH3+])CCCC[N@H+](CC2CCOCC2)C1 ZINC001206541259 979643929 /nfs/dbraw/zinc/64/39/29/979643929.db2.gz FYUMECIFJQMSPO-CQSZACIVSA-N 2 0 240.391 1.864 20 0 BDADRP C[C@]1([NH3+])CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC001205257203 979756727 /nfs/dbraw/zinc/75/67/27/979756727.db2.gz UAXJDMVAHBAVBM-KBPBESRZSA-N 3 0 239.407 1.579 20 0 BDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC(C)(C)CC[NH3+] ZINC001343702463 980202609 /nfs/dbraw/zinc/20/26/09/980202609.db2.gz YJKUWURQONTQLB-NSHDSACASA-N 2 0 241.379 1.103 20 0 BDADRP COC(=O)c1cccc(C[NH2+]C[C@@H](C)C[NH3+])c1 ZINC001345104604 980551303 /nfs/dbraw/zinc/55/13/03/980551303.db2.gz MHLMCCIKHNSOMQ-JTQLQIEISA-N 2 0 236.315 1.158 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2ccon2)CC[C@H]1C[NH3+] ZINC001205618291 981225386 /nfs/dbraw/zinc/22/53/86/981225386.db2.gz UGPFXTOIWXGJPC-MNOVXSKESA-N 2 0 223.320 1.481 20 0 BDADRP C[C@H]([NH2+][C@H]1C[C@@H]2CC[C@@H]([NH2+]2)[C@@H]1C)C1CC1 ZINC001350955211 982133736 /nfs/dbraw/zinc/13/37/36/982133736.db2.gz HTXJJOBSCDUJHF-MNSQCTGESA-N 2 0 208.349 1.904 20 0 BDADRP CCC1([NH3+])CCN(C(=O)CCC(C)(C)[NH3+])CC1 ZINC001353136503 982717064 /nfs/dbraw/zinc/71/70/64/982717064.db2.gz DOSUGSOSPKJCNK-UHFFFAOYSA-N 2 0 241.379 1.234 20 0 BDADRP C[NH2+]CCCCC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC001353201546 982766939 /nfs/dbraw/zinc/76/69/39/982766939.db2.gz REGNBQHEHBLTJA-NEPJUHHUSA-N 2 0 241.379 1.010 20 0 BDADRP CCCCC[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001201725715 983434035 /nfs/dbraw/zinc/43/40/35/983434035.db2.gz UYZCPNIJJCDAPB-UHFFFAOYSA-N 2 0 227.396 1.356 20 0 BDADRP CCOCC[C@@H](C)[N@H+](C)C[C@H](C)C[NH3+] ZINC001172416745 974686286 /nfs/dbraw/zinc/68/62/86/974686286.db2.gz PWOIAANSGRBXCB-GHMZBOCLSA-N 2 0 202.342 1.328 20 0 BDADRP C[NH2+]C1CCC([N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)CC1 ZINC001246548417 972686008 /nfs/dbraw/zinc/68/60/08/972686008.db2.gz GMDVCNLXEQYXHL-IWMBGFJWSA-N 3 0 239.407 1.434 20 0 BDADRP C[N@@H+]1CCC[C@H](N2CC[C@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001246588497 972992960 /nfs/dbraw/zinc/99/29/60/972992960.db2.gz QJLNWZGGLYYZQX-AVGNSLFASA-N 2 0 243.370 1.232 20 0 BDADRP C[C@@H]1CC([NH+]2CC(C)(C[NH3+])C2)C[C@@H](C)O1 ZINC001246596792 973016179 /nfs/dbraw/zinc/01/61/79/973016179.db2.gz KMJVSRMMVAIZHV-NXEZZACHSA-N 2 0 212.337 1.223 20 0 BDADRP C[C@H](Cc1ccccn1)[NH+]1CCC(C)([NH3+])CC1 ZINC001256402386 970808367 /nfs/dbraw/zinc/80/83/67/970808367.db2.gz IAVYHVSIADPPKM-GFCCVEGCSA-N 2 0 233.359 1.826 20 0 BDADRP C[C@@H](Cc1ccccn1)[NH2+]CCSCC[NH3+] ZINC001256405766 970811736 /nfs/dbraw/zinc/81/17/36/970811736.db2.gz QBSCIXHIKXSREB-NSHDSACASA-N 2 0 239.388 1.294 20 0 BDADRP CC[N@H+](CCC[NH2+]C1CC1)[C@@H]1CCCOC1 ZINC000402737821 970829913 /nfs/dbraw/zinc/82/99/13/970829913.db2.gz GVEGRUOVGKFZSJ-CYBMUJFWSA-N 2 0 226.364 1.629 20 0 BDADRP CCOC1CCC([NH2+]CCSCC[NH3+])CC1 ZINC001256431932 970836948 /nfs/dbraw/zinc/83/69/48/970836948.db2.gz OSDSQQBQAIILQP-UHFFFAOYSA-N 2 0 246.420 1.616 20 0 BDADRP CC(C)(C)[NH+]1CCC([N@@H+]2CC[C@](C)(O)C2)CC1 ZINC001256569914 970866297 /nfs/dbraw/zinc/86/62/97/970866297.db2.gz RYNYHWISYQYMQV-AWEZNQCLSA-N 2 0 240.391 1.706 20 0 BDADRP CCCN(CCC[NH3+])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256614405 970878150 /nfs/dbraw/zinc/87/81/50/970878150.db2.gz QMTFAEPPTPOPRT-PBWFPOADSA-N 2 0 239.407 1.672 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)Cc1ccco1 ZINC000234800995 973761958 /nfs/dbraw/zinc/76/19/58/973761958.db2.gz DRNXWGWIHANBNE-RYUDHWBXSA-N 2 0 240.347 1.554 20 0 BDADRP C[C@@H]([NH3+])c1ccn(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC001256615500 970879389 /nfs/dbraw/zinc/87/93/89/970879389.db2.gz KNUCYECRLRXNEO-YIBTVLSRSA-N 2 0 234.347 1.701 20 0 BDADRP CCC[N@H+](CCOC)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256620861 970886156 /nfs/dbraw/zinc/88/61/56/970886156.db2.gz FQGUEHYDXAXUSC-PBWFPOADSA-N 2 0 240.391 1.970 20 0 BDADRP CC1C[NH+](C2CCC([NH+]3CCOCC3)CC2)C1 ZINC001256689193 970921128 /nfs/dbraw/zinc/92/11/28/970921128.db2.gz SSFFDOMKQRTOOY-UHFFFAOYSA-N 2 0 238.375 1.582 20 0 BDADRP C[NH+](C)C1CN(C(=O)CCCCCCC[NH3+])C1 ZINC000403631168 970998874 /nfs/dbraw/zinc/99/88/74/970998874.db2.gz GIWNJWKUVJERMV-UHFFFAOYSA-N 2 0 241.379 1.058 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001256852715 970998909 /nfs/dbraw/zinc/99/89/09/970998909.db2.gz OXBSBQWQACHHHE-GFCCVEGCSA-N 3 0 248.374 1.235 20 0 BDADRP COC(=O)[C@@H]1CC[C@H]([N@H+](CCC[NH3+])C(C)C)C1 ZINC001170503095 971001496 /nfs/dbraw/zinc/00/14/96/971001496.db2.gz BZPVGYLNGQRKAM-NEPJUHHUSA-N 2 0 242.363 1.387 20 0 BDADRP [NH3+]CCCC[NH2+][C@@H]1CCCN(C2CCCC2)C1 ZINC001256900293 971014174 /nfs/dbraw/zinc/01/41/74/971014174.db2.gz LNUHDODGOMCMOS-CYBMUJFWSA-N 2 0 239.407 1.722 20 0 BDADRP CN(OCC[NH3+])[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256902465 971023644 /nfs/dbraw/zinc/02/36/44/971023644.db2.gz VDNHYYWEJQJHOM-ZDUSSCGKSA-N 2 0 241.379 1.216 20 0 BDADRP CNc1cc(Nc2[nH+]ccn2C)cc[nH+]1 ZINC001216331410 971044048 /nfs/dbraw/zinc/04/40/48/971044048.db2.gz SMKGUYZXYBZTCW-UHFFFAOYSA-N 2 0 203.249 1.600 20 0 BDADRP C[C@@H](C[NH+](C)C)OC[C@H]1CCCC[N@@H+]1C ZINC001224701500 973865056 /nfs/dbraw/zinc/86/50/56/973865056.db2.gz GTLCFJMCRWBTCO-NWDGAFQWSA-N 2 0 214.353 1.437 20 0 BDADRP COC(=O)CC1CCC([NH2+]C[C@@H](C)C[NH3+])CC1 ZINC001256976938 971057927 /nfs/dbraw/zinc/05/79/27/971057927.db2.gz NLSXTLHJQGYCEG-UNXYVOJBSA-N 2 0 242.363 1.293 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]CCn2cccc2)CC1 ZINC001257204641 971122916 /nfs/dbraw/zinc/12/29/16/971122916.db2.gz NLFBUDWCUGRCJC-UHFFFAOYSA-N 2 0 235.375 1.951 20 0 BDADRP CC(C)[NH+]1CCC(N2CC[N@@H+]3CC[C@@H]3C2)CC1 ZINC001257223614 971136013 /nfs/dbraw/zinc/13/60/13/971136013.db2.gz SOHQTPFRGXZTIW-CQSZACIVSA-N 2 0 237.391 1.249 20 0 BDADRP C[C@@H](Nc1cc2cc[nH]c2cn1)[C@@H]1C[NH2+]CCO1 ZINC001170559373 971170918 /nfs/dbraw/zinc/17/09/18/971170918.db2.gz WPYMDVWQNHUYNB-SKDRFNHKSA-N 2 0 246.314 1.352 20 0 BDADRP Cc1cc[nH+]c(N[C@H](C)[C@@H]2C[NH2+]CCO2)c1C ZINC001170563587 971193632 /nfs/dbraw/zinc/19/36/32/971193632.db2.gz MNSUYWVZXJEUTN-NEPJUHHUSA-N 2 0 235.331 1.487 20 0 BDADRP C[N@@H+]1CCC[C@H]1CO[C@@H]1CCC[NH+](C)CC1 ZINC001224817985 973996359 /nfs/dbraw/zinc/99/63/59/973996359.db2.gz FRTDLNKHUCVUOY-QWHCGFSZSA-N 2 0 226.364 1.582 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000405197023 971207376 /nfs/dbraw/zinc/20/73/76/971207376.db2.gz AVQJWEHGYCHLFU-OLZOCXBDSA-N 3 0 237.391 1.188 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CCO1 ZINC000405234491 971213972 /nfs/dbraw/zinc/21/39/72/971213972.db2.gz CUMANJRASROGKO-FDYHWXHSSA-N 2 0 238.375 1.661 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccccc2)C12CCC2 ZINC000405233782 971213921 /nfs/dbraw/zinc/21/39/21/971213921.db2.gz RWVUOORPMPTCFR-MJBXVCDLSA-N 2 0 246.354 1.580 20 0 BDADRP C[N@@H+]1CCC[C@H](CN[C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000405227130 971216209 /nfs/dbraw/zinc/21/62/09/971216209.db2.gz PAWKPZQQGNGIBX-UPJWGTAASA-N 2 0 237.391 1.188 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H]2CCCSC2)C12CCC2 ZINC000405259217 971222918 /nfs/dbraw/zinc/22/29/18/971222918.db2.gz NSSACFTUSHPIIU-IJLUTSLNSA-N 2 0 240.416 1.989 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]CC2CCSCC2)C12CCC2 ZINC000405274691 971228181 /nfs/dbraw/zinc/22/81/81/971228181.db2.gz WLFZKPZXDKQQCI-NWDGAFQWSA-N 2 0 240.416 1.989 20 0 BDADRP CCSCCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405295541 971230833 /nfs/dbraw/zinc/23/08/33/971230833.db2.gz GLHHJNDFICVAED-MNOVXSKESA-N 2 0 228.405 1.989 20 0 BDADRP C[C@H](Cn1ccnc1)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405294375 971231358 /nfs/dbraw/zinc/23/13/58/971231358.db2.gz FMYREWQOKAEESN-GRYCIOLGSA-N 2 0 234.347 1.131 20 0 BDADRP Cc1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)ccn1 ZINC000405320043 971233499 /nfs/dbraw/zinc/23/34/99/971233499.db2.gz RAFVPGYLZYXBFE-CHWSQXEVSA-N 2 0 231.343 1.750 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]C2CCC([NH3+])CC2)C12CCC2 ZINC000405332828 971235037 /nfs/dbraw/zinc/23/50/37/971235037.db2.gz FAFPIMWRDKEKCN-KIDURHIOSA-N 3 0 223.364 1.116 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H]2CCCS2)C12CCC2 ZINC000405321645 971238585 /nfs/dbraw/zinc/23/85/85/971238585.db2.gz VCWVGVLSSYPKBZ-GMTAPVOTSA-N 2 0 226.389 1.742 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CCCCF)C12CCC2 ZINC000405330197 971236292 /nfs/dbraw/zinc/23/62/92/971236292.db2.gz WLCNXEDVDRSOEX-ZJUUUORDSA-N 2 0 200.301 1.596 20 0 BDADRP COCC[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405325814 971236716 /nfs/dbraw/zinc/23/67/16/971236716.db2.gz WZQQWYSRWZBQAU-DCAQKATOSA-N 2 0 212.337 1.271 20 0 BDADRP CC[C@H](O)CC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405362843 971240079 /nfs/dbraw/zinc/24/00/79/971240079.db2.gz VBMRQNXIBBUYNI-GARJFASQSA-N 2 0 212.337 1.007 20 0 BDADRP CCOC[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405367901 971242089 /nfs/dbraw/zinc/24/20/89/971242089.db2.gz XKSQQNMFCBFHHL-HBNTYKKESA-N 2 0 212.337 1.271 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCOC2CCCC2)C12CCC2 ZINC000405357499 971243061 /nfs/dbraw/zinc/24/30/61/971243061.db2.gz RUIYPIBOELIZNP-CHWSQXEVSA-N 2 0 238.375 1.805 20 0 BDADRP CC(C)[N@@H+](C)C[C@@H](C)N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405352400 971244810 /nfs/dbraw/zinc/24/48/10/971244810.db2.gz OZRSJGHLGWTCGT-JHJVBQTASA-N 2 0 239.407 1.575 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405368363 971246701 /nfs/dbraw/zinc/24/67/01/971246701.db2.gz XQZRBCIQSDMAEM-UPJWGTAASA-N 2 0 240.391 1.643 20 0 BDADRP [NH3+][C@@H]1C[C@@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)C12CCC2 ZINC000405371970 971248837 /nfs/dbraw/zinc/24/88/37/971248837.db2.gz ZISCAPMFNHURIQ-IACUBPJLSA-N 2 0 249.402 1.330 20 0 BDADRP CC(C)C[C@H](O)C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405411538 971252155 /nfs/dbraw/zinc/25/21/55/971252155.db2.gz NGBCXAZPETVUEF-SDDRHHMPSA-N 2 0 226.364 1.253 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405460557 971260995 /nfs/dbraw/zinc/26/09/95/971260995.db2.gz ZRDABPLESWMKLQ-IJLUTSLNSA-N 2 0 226.364 1.255 20 0 BDADRP CC1(C)C[C@@H]1C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405532526 971265367 /nfs/dbraw/zinc/26/53/67/971265367.db2.gz YRSFIORMFREKMA-OUAUKWLOSA-N 2 0 208.349 1.892 20 0 BDADRP CC(C)(CO)CCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405511616 971266062 /nfs/dbraw/zinc/26/60/62/971266062.db2.gz SXAMFSZYYSNOMA-RYUDHWBXSA-N 2 0 240.391 1.645 20 0 BDADRP C[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)C1CC1 ZINC000405516190 971267031 /nfs/dbraw/zinc/26/70/31/971267031.db2.gz UQDIWTYDYVKRPT-JLLWLGSASA-N 2 0 208.349 1.892 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H]2CO[C@H](C)[C@H]2C)CC1 ZINC000405537435 971271702 /nfs/dbraw/zinc/27/17/02/971271702.db2.gz BXHBOQKQZMAYBP-YRGRVCCFSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]1OC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)[C@@H]1C ZINC000405661034 971288405 /nfs/dbraw/zinc/28/84/05/971288405.db2.gz NZFAXFLNJHKVMC-UHXUPSOCSA-N 2 0 238.375 1.484 20 0 BDADRP CCC(C)(C)C1CCC([NH2+]C[C@H](O)C[NH3+])CC1 ZINC001257403467 971300196 /nfs/dbraw/zinc/30/01/96/971300196.db2.gz YQHOOCZTHZZUMR-WXRRBKDZSA-N 2 0 242.407 1.891 20 0 BDADRP CCOC(=O)CC1([NH3+])CC[NH+]([C@H](C)CC)CC1 ZINC001257436198 971344662 /nfs/dbraw/zinc/34/46/62/971344662.db2.gz KEHLLEHBSWXMSD-LLVKDONJSA-N 2 0 242.363 1.531 20 0 BDADRP C([NH2+]CC1CC[NH2+]CC1)c1nnc(C2CC2)o1 ZINC001217758382 971390389 /nfs/dbraw/zinc/39/03/89/971390389.db2.gz YNQOLKAYGQJTQV-UHFFFAOYSA-N 2 0 236.319 1.036 20 0 BDADRP [NH3+]Cc1ccc(CO[C@@H]2CCCC[NH2+]C2)cc1 ZINC001217770722 971396117 /nfs/dbraw/zinc/39/61/17/971396117.db2.gz VTLWNWWFFYKFGX-CQSZACIVSA-N 2 0 234.343 1.804 20 0 BDADRP C[C@@H](OC[C@@H]1COC(C)(C)[NH2+]1)C1CC[NH2+]CC1 ZINC001217777536 971401083 /nfs/dbraw/zinc/40/10/83/971401083.db2.gz LMSQZBUYLOEAQV-ZYHUDNBSSA-N 2 0 242.363 1.116 20 0 BDADRP C[C@H]1C[NH2+]CCC[C@H]1OCC1(C)CC[NH2+]CC1 ZINC001217778164 971401399 /nfs/dbraw/zinc/40/13/99/971401399.db2.gz KPMGZAZBXNOLMG-QWHCGFSZSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@@H]1C[C@H](OCc2ccc3c(c2)CC[NH2+]C3)C[NH2+]1 ZINC001217790265 971408374 /nfs/dbraw/zinc/40/83/74/971408374.db2.gz VBFWUKQXJSWERI-ABAIWWIYSA-N 2 0 246.354 1.599 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1OCC1(C)CC[NH2+]CC1 ZINC001217791960 971412163 /nfs/dbraw/zinc/41/21/63/971412163.db2.gz YXXFJDJJOSPFQR-STQMWFEESA-N 2 0 240.391 1.781 20 0 BDADRP C(O[C@H]1CC[C@@H]2CCC[C@H]1[NH2+]2)[C@@H]1CC[NH2+]1 ZINC001217822341 971413535 /nfs/dbraw/zinc/41/35/35/971413535.db2.gz DLUVSLLAIFGGKH-YFKTTZPYSA-N 2 0 210.321 1.038 20 0 BDADRP CC[N@@H+]1CC[C@H](OC[C@H]2CCC[NH2+]C2)C1 ZINC001217832841 971426572 /nfs/dbraw/zinc/42/65/72/971426572.db2.gz KYJOANHXYGLJIL-RYUDHWBXSA-N 2 0 212.337 1.097 20 0 BDADRP CC(C)([NH3+])C(C)(C)[NH2+][C@H]1CCCSC1 ZINC001257663873 971455780 /nfs/dbraw/zinc/45/57/80/971455780.db2.gz IRAGKTHSMHPCMC-VIFPVBQESA-N 2 0 216.394 1.988 20 0 BDADRP C(O[C@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC001217874457 971467495 /nfs/dbraw/zinc/46/74/95/971467495.db2.gz MCBYLMJXPPOORR-OLZOCXBDSA-N 2 0 238.375 1.677 20 0 BDADRP C(O[C@@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC001217874456 971469313 /nfs/dbraw/zinc/46/93/13/971469313.db2.gz MCBYLMJXPPOORR-CHWSQXEVSA-N 2 0 238.375 1.677 20 0 BDADRP F[C@@H]1CC[NH2+]C[C@@H]1OCC[C@H]1CCC[NH2+]C1 ZINC001217876774 971472092 /nfs/dbraw/zinc/47/20/92/971472092.db2.gz SEEBBFQBJJRTPO-UTUOFQBUSA-N 2 0 230.327 1.093 20 0 BDADRP C[NH+](C)CCC[N@H+](C)[C@@H]1CCCSC1 ZINC001257668402 971469923 /nfs/dbraw/zinc/46/99/23/971469923.db2.gz QSDXATPASFIIKL-LLVKDONJSA-N 2 0 216.394 1.766 20 0 BDADRP F[C@@H]1CC[NH2+]C[C@@H]1OCC[C@@H]1CCC[NH2+]C1 ZINC001217876772 971470500 /nfs/dbraw/zinc/47/05/00/971470500.db2.gz SEEBBFQBJJRTPO-TUAOUCFPSA-N 2 0 230.327 1.093 20 0 BDADRP CC1(CO[C@@H]2CC[NH2+]CC2(C)C)CC[NH2+]CC1 ZINC001217879394 971477028 /nfs/dbraw/zinc/47/70/28/971477028.db2.gz SAXORMMMYKEUAA-GFCCVEGCSA-N 2 0 240.391 1.781 20 0 BDADRP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3CCCSC3)C[C@@H]2C1 ZINC001257682292 971484910 /nfs/dbraw/zinc/48/49/10/971484910.db2.gz WQNQFWSIEGGAOO-GRYCIOLGSA-N 2 0 226.389 1.375 20 0 BDADRP CC[NH+]1C[C@@H]2C[NH+]([C@@H]3CCCSC3)C[C@H]2C1 ZINC001257683205 971489952 /nfs/dbraw/zinc/48/99/52/971489952.db2.gz ILLUFDFDYKTNNO-JHJVBQTASA-N 2 0 240.416 1.766 20 0 BDADRP CC[N@H+]1C[C@@H]2C[NH+]([C@@H]3CCCSC3)C[C@@H]2C1 ZINC001257683204 971490927 /nfs/dbraw/zinc/49/09/27/971490927.db2.gz ILLUFDFDYKTNNO-FRRDWIJNSA-N 2 0 240.416 1.766 20 0 BDADRP C[C@@H]1CC[C@H](OCCC2CC[NH2+]CC2)C[NH2+]1 ZINC001217913109 971512688 /nfs/dbraw/zinc/51/26/88/971512688.db2.gz RGYHPLOMZNVOBT-YPMHNXCESA-N 2 0 226.364 1.533 20 0 BDADRP [NH3+]CCCCCCO[C@@H]1C[NH2+]CCC12CC2 ZINC001217913852 971514030 /nfs/dbraw/zinc/51/40/30/971514030.db2.gz OFOVOZRDPPDPPF-GFCCVEGCSA-N 2 0 226.364 1.664 20 0 BDADRP CC1(CO[C@@H]2[C@@H]3CC[C@H]2[NH2+]C3)CC[NH2+]CC1 ZINC001217924374 971529716 /nfs/dbraw/zinc/52/97/16/971529716.db2.gz HGWOIYWYDHNYQI-IJLUTSLNSA-N 2 0 224.348 1.143 20 0 BDADRP CC1(C)C[C@@H](OC[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001217936008 971538201 /nfs/dbraw/zinc/53/82/01/971538201.db2.gz CFPXXDRXFFCKBW-NEPJUHHUSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1OC[C@H]1CCC[NH2+]C1 ZINC001217940030 971538796 /nfs/dbraw/zinc/53/87/96/971538796.db2.gz XNYDITNKACXVOH-WOPDTQHZSA-N 2 0 212.337 1.001 20 0 BDADRP CC(C)C[NH+]1CCC([NH2+][C@@]2(C)CCOC2)CC1 ZINC001258007544 971555728 /nfs/dbraw/zinc/55/57/28/971555728.db2.gz GPVDRZDRAMIHIS-AWEZNQCLSA-N 2 0 240.391 1.875 20 0 BDADRP [NH3+]Cc1ccccc1O[C@H]1C[NH2+]CCC[C@@H]1F ZINC001217978943 971557649 /nfs/dbraw/zinc/55/76/49/971557649.db2.gz FTCWWCULVPJXOJ-AAEUAGOBSA-N 2 0 238.306 1.614 20 0 BDADRP [NH3+]Cc1cccc(O[C@@H]2C[NH2+]CCC[C@H]2F)c1 ZINC001217982378 971559847 /nfs/dbraw/zinc/55/98/47/971559847.db2.gz SKPUNBIPCLSMRD-CHWSQXEVSA-N 2 0 238.306 1.614 20 0 BDADRP C[C@H](Oc1cccc(C[NH3+])c1)C1CC[NH2+]CC1 ZINC001218009594 971568085 /nfs/dbraw/zinc/56/80/85/971568085.db2.gz LYWQALLFYJKHPE-NSHDSACASA-N 2 0 234.343 1.912 20 0 BDADRP C[C@@H]([NH3+])c1ccc(O[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC001218036086 971581561 /nfs/dbraw/zinc/58/15/61/971581561.db2.gz OFMSBYGGBNONCI-GIPNMCIBSA-N 2 0 220.316 1.693 20 0 BDADRP C[C@H]([NH3+])c1ccc(O[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC001218036085 971582217 /nfs/dbraw/zinc/58/22/17/971582217.db2.gz OFMSBYGGBNONCI-GBIKHYSHSA-N 2 0 220.316 1.693 20 0 BDADRP c1cc2c(c(O[C@H]3[C@@H]4C[C@H]3C[NH2+]C4)c1)C[NH2+]C2 ZINC001218149807 971606721 /nfs/dbraw/zinc/60/67/21/971606721.db2.gz UZDJILYOGBVKAD-YABSGUDNSA-N 2 0 230.311 1.277 20 0 BDADRP c1cc2c(cc1O[C@H]1[C@@H]3C[C@H]1C[NH2+]C3)CC[NH2+]C2 ZINC001218145955 971607159 /nfs/dbraw/zinc/60/71/59/971607159.db2.gz RJWJPNKLHQHTBC-NHAGDIPZSA-N 2 0 244.338 1.319 20 0 BDADRP [NH3+][C@@H]1C[C@H]1c1ccc(O[C@@H]2CCC23C[NH2+]C3)cc1 ZINC001218245348 971649464 /nfs/dbraw/zinc/64/94/64/971649464.db2.gz ZRMBEMSTAJFYGQ-BFHYXJOUSA-N 2 0 244.338 1.632 20 0 BDADRP C[C@@H](C[NH3+])C[N@H+](C)[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170729754 971669297 /nfs/dbraw/zinc/66/92/97/971669297.db2.gz GJDWLBIQLYBQJX-FIQHERPVSA-N 2 0 210.365 1.948 20 0 BDADRP N[C@H]1CC[N@H+](CCC2CC[NH2+]CC2)CC[C@H]1F ZINC001206156174 974339788 /nfs/dbraw/zinc/33/97/88/974339788.db2.gz OKWWGVFFGFRPEH-OLZOCXBDSA-N 2 0 243.370 1.137 20 0 BDADRP c1cc2c(cc1O[C@@H]1C[C@H]3C[NH2+]C[C@@H]31)CC[NH2+]C2 ZINC001218323895 971710094 /nfs/dbraw/zinc/71/00/94/971710094.db2.gz FDXDNTINAVEVNS-AEGPPILISA-N 2 0 244.338 1.319 20 0 BDADRP c1cc2c(c(O[C@@H]3C=CC[NH2+]C3)c1)C[NH2+]C2 ZINC001218334278 971713447 /nfs/dbraw/zinc/71/34/47/971713447.db2.gz NKGWGWIBXBVQIP-LLVKDONJSA-N 2 0 216.284 1.197 20 0 BDADRP Cc1c(O[C@H]2C=CC[NH2+]C2)ccc2c1CC[NH2+]C2 ZINC001218330129 971713630 /nfs/dbraw/zinc/71/36/30/971713630.db2.gz BENKEAHIQXJSJU-ZDUSSCGKSA-N 2 0 244.338 1.548 20 0 BDADRP C[C@@H]1CC[C@H](Oc2ccc3c(c2)CC[NH2+]C3)C[NH2+]1 ZINC001218396036 971772737 /nfs/dbraw/zinc/77/27/37/971772737.db2.gz ZCBTYNCYMSNBSA-ABAIWWIYSA-N 2 0 246.354 1.852 20 0 BDADRP C[C@@H]1CC[C@H](Oc2ccc(C[NH3+])cc2)C[NH2+]1 ZINC001218406936 971779791 /nfs/dbraw/zinc/77/97/91/971779791.db2.gz KKHJXHCSFZQNBR-MFKMUULPSA-N 2 0 220.316 1.665 20 0 BDADRP [NH3+]Cc1cccc(O[C@H]2C[NH2+]CCC23CC3)c1 ZINC001218403486 971780039 /nfs/dbraw/zinc/78/00/39/971780039.db2.gz JBKCETWCCGKMOM-ZDUSSCGKSA-N 2 0 232.327 1.666 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1Oc1ccc2c(n1)CC[NH2+]C2 ZINC001218417349 971791320 /nfs/dbraw/zinc/79/13/20/971791320.db2.gz VWESSCVUBNLVNB-MFKMUULPSA-N 2 0 247.342 1.104 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@H]1Oc1ccc(CC[NH3+])cc1 ZINC001218420528 971795324 /nfs/dbraw/zinc/79/53/24/971795324.db2.gz TYFLQJBUVZPVEG-BXUZGUMPSA-N 2 0 234.343 1.565 20 0 BDADRP COCCC[NH+]1CCC([NH2+][C@@H]2C[C@@H]2C)CC1 ZINC001172243774 974508544 /nfs/dbraw/zinc/50/85/44/974508544.db2.gz SCTHAYHXRJZVBM-WCQYABFASA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]([NH3+])c1ccc(O[C@H]2[C@@H]3CC[C@H]2[NH2+]C3)cc1 ZINC001218449675 971822319 /nfs/dbraw/zinc/82/23/19/971822319.db2.gz RBNOQOHCWAEPMM-IMJCEVDSSA-N 2 0 232.327 1.836 20 0 BDADRP C[NH+](C)CCC(C)(C)[NH2+][C@H]1CCCOCC1 ZINC001170788920 971825643 /nfs/dbraw/zinc/82/56/43/971825643.db2.gz VVJFQRLEAPOOEX-LBPRGKRZSA-N 2 0 228.380 1.875 20 0 BDADRP [NH3+]CCc1ccc(O[C@@H]2CC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC001218473322 971827450 /nfs/dbraw/zinc/82/74/50/971827450.db2.gz QNVGJBNPKNREIG-NWANDNLSSA-N 2 0 246.354 1.565 20 0 BDADRP [NH3+]CC1(F)CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC001222526464 972541567 /nfs/dbraw/zinc/54/15/67/972541567.db2.gz BEJXOUSCNPKQFR-UHFFFAOYSA-N 3 0 243.370 1.139 20 0 BDADRP C[NH+](C)CCC[N@H+](C)[C@H]1CCCOCC1 ZINC001170804421 971853946 /nfs/dbraw/zinc/85/39/46/971853946.db2.gz NWRFZYGICUHFLV-LBPRGKRZSA-N 2 0 214.353 1.439 20 0 BDADRP CC[C@H](C)OCC[C@@H](C)[NH2+]C[C@H](C)C[NH3+] ZINC001172327196 974538098 /nfs/dbraw/zinc/53/80/98/974538098.db2.gz DFUYXYNSQVSYRS-UTUOFQBUSA-N 2 0 216.369 1.765 20 0 BDADRP CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001135315181 971866694 /nfs/dbraw/zinc/86/66/94/971866694.db2.gz NEQAOBRSTVAAIV-RYUDHWBXSA-N 2 0 243.395 1.221 20 0 BDADRP C[N@H+](CC1CC[NH+](C)CC1)[C@H]1COC(C)(C)C1 ZINC001172287823 974552330 /nfs/dbraw/zinc/55/23/30/974552330.db2.gz PCPHXRYHOUUGCP-CYBMUJFWSA-N 2 0 240.391 1.828 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+]([C@@H]3CCCOCC3)C[C@@H]2C1 ZINC001170812981 971885970 /nfs/dbraw/zinc/88/59/70/971885970.db2.gz XWTBFFHBFILKHF-HZSPNIEDSA-N 2 0 238.375 1.439 20 0 BDADRP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+]([C@@H]1CCCOCC1)C2 ZINC001170835739 971957390 /nfs/dbraw/zinc/95/73/90/971957390.db2.gz VQCFYSPSBONJNH-MGPQQGTHSA-N 2 0 238.375 1.439 20 0 BDADRP CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[NH+](CC)CC ZINC001135706386 971968009 /nfs/dbraw/zinc/96/80/09/971968009.db2.gz UBHJXEUASMHGRI-VXGBXAGGSA-N 2 0 243.395 1.221 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])C(=O)Nc1cccc2cc[nH]c21 ZINC001219110135 971982405 /nfs/dbraw/zinc/98/24/05/971982405.db2.gz MHMKBJLDUZPARB-SNVBAGLBSA-N 2 0 246.314 1.173 20 0 BDADRP CC[C@@]([NH3+])(CO)Nc1ccc(C2([NH3+])CC2)cc1 ZINC001170864381 971995211 /nfs/dbraw/zinc/99/52/11/971995211.db2.gz HQTVPVAZYPAAAW-ZDUSSCGKSA-N 2 0 235.331 1.104 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)N=NC2 ZINC001219414442 972010909 /nfs/dbraw/zinc/01/09/09/972010909.db2.gz AIHYBTRPNAVRJK-JTQLQIEISA-N 2 0 247.302 1.289 20 0 BDADRP C[C@@H]([NH3+])CCNc1c[nH+]cc2cc[nH]c21 ZINC001170891446 972045585 /nfs/dbraw/zinc/04/55/85/972045585.db2.gz YAAGMJOVJLGXSH-MRVPVSSYSA-N 2 0 204.277 1.712 20 0 BDADRP COc1ccc(N[C@H]([NH3+])CCC[NH3+])c2cc[nH]c21 ZINC001170901270 972049562 /nfs/dbraw/zinc/04/95/62/972049562.db2.gz XZMMWPDXBDFVBV-LBPRGKRZSA-N 2 0 248.330 1.612 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ncc2ccc(F)cc2n1 ZINC001170895503 972050938 /nfs/dbraw/zinc/05/09/38/972050938.db2.gz UELOEDGUTUACTG-LLVKDONJSA-N 2 0 249.293 1.205 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc2ncsc2n1 ZINC001170895888 972051230 /nfs/dbraw/zinc/05/12/30/972051230.db2.gz ADXOFIGOTWZHQZ-MRVPVSSYSA-N 2 0 237.332 1.127 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1nccc(-c2ccco2)n1 ZINC001170897712 972055633 /nfs/dbraw/zinc/05/56/33/972055633.db2.gz JFCNDTYHJPHOTE-LLVKDONJSA-N 2 0 247.302 1.172 20 0 BDADRP COc1cnc(Cl)cc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170897921 972056514 /nfs/dbraw/zinc/05/65/14/972056514.db2.gz QKTFGMWHNHKPTL-SNVBAGLBSA-N 2 0 244.726 1.179 20 0 BDADRP CC(C)c1cccc(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001170898965 972057618 /nfs/dbraw/zinc/05/76/18/972057618.db2.gz FQIJPWIVHRXWMJ-NSHDSACASA-N 2 0 222.336 1.641 20 0 BDADRP Cc1nc2c(c(N[C@@H]([NH3+])CCC[NH3+])n1)CCCC2 ZINC001170898861 972058976 /nfs/dbraw/zinc/05/89/76/972058976.db2.gz QQHOVMFIOIKVDB-GFCCVEGCSA-N 2 0 249.362 1.099 20 0 BDADRP Cc1ccc2c(c1)ncnc2N[C@H]([NH3+])CCC[NH3+] ZINC001170899321 972061298 /nfs/dbraw/zinc/06/12/98/972061298.db2.gz UONODPDUBANCPM-LBPRGKRZSA-N 2 0 245.330 1.374 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1cccc2nsnc21 ZINC001170899063 972061577 /nfs/dbraw/zinc/06/15/77/972061577.db2.gz HVXNFYLVFDRMGB-SECBINFHSA-N 2 0 237.332 1.127 20 0 BDADRP Cc1cc2cc[nH]c2c(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001170899989 972062846 /nfs/dbraw/zinc/06/28/46/972062846.db2.gz ZJGUNMRAGPOIOR-JTQLQIEISA-N 2 0 233.319 1.307 20 0 BDADRP CCc1cccc(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001170900309 972065296 /nfs/dbraw/zinc/06/52/96/972065296.db2.gz KCGMHOSQQIDVDE-JTQLQIEISA-N 2 0 208.309 1.080 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1cccc(C(F)(F)F)n1 ZINC001170900764 972068304 /nfs/dbraw/zinc/06/83/04/972068304.db2.gz XYHAHXZECZZZRZ-MRVPVSSYSA-N 2 0 248.252 1.536 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc2nnccc2c1 ZINC001170901069 972070545 /nfs/dbraw/zinc/07/05/45/972070545.db2.gz VLEYCOJZJUBKOY-GFCCVEGCSA-N 2 0 231.303 1.065 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc2ccncc2n1 ZINC001170900633 972070753 /nfs/dbraw/zinc/07/07/53/972070753.db2.gz MUPCPQITEZTKOJ-NSHDSACASA-N 2 0 231.303 1.065 20 0 BDADRP Cc1cnc(Cl)cc1N[C@H]([NH3+])CCC[NH3+] ZINC001170900615 972071202 /nfs/dbraw/zinc/07/12/02/972071202.db2.gz MQEHXCKRUPPKJG-JTQLQIEISA-N 2 0 228.727 1.479 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1cc[nH+]c(C2CC2)c1 ZINC001170902467 972077235 /nfs/dbraw/zinc/07/72/35/972077235.db2.gz CWNPQDVPACOARB-LBPRGKRZSA-N 3 0 220.320 1.395 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1cc2[nH]cnc2cc1F ZINC001170907112 972080330 /nfs/dbraw/zinc/08/03/30/972080330.db2.gz ZRAQTVPVGHHPLD-LLVKDONJSA-N 2 0 237.282 1.138 20 0 BDADRP C=CC(=O)Oc1ccc(N[C@@H]([NH3+])CCC[NH3+])cc1 ZINC001170904776 972081875 /nfs/dbraw/zinc/08/18/75/972081875.db2.gz PAIXWRCDOLSCSW-GFCCVEGCSA-N 2 0 249.314 1.214 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc2cccc(F)c2n1 ZINC001159786449 972112970 /nfs/dbraw/zinc/11/29/70/972112970.db2.gz ASJPUKHJWHQPOB-NSHDSACASA-N 2 0 248.305 1.810 20 0 BDADRP Cc1ccc(N[C@H]([NH3+])CCC[NH3+])nc1C ZINC001159786031 972112310 /nfs/dbraw/zinc/11/23/10/972112310.db2.gz VOHHRYZVKWSWFQ-JTQLQIEISA-N 2 0 208.309 1.134 20 0 BDADRP CCCCC[C@H]([NH2+]C)C(=O)N[C@H](C)C[NH+](C)C ZINC001219916412 972113896 /nfs/dbraw/zinc/11/38/96/972113896.db2.gz VEPNUYAJTHJMNZ-NEPJUHHUSA-N 2 0 243.395 1.221 20 0 BDADRP CCCC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246029278 972122722 /nfs/dbraw/zinc/12/27/22/972122722.db2.gz LOPWTMNAXWLDKG-SDDRHHMPSA-N 2 0 232.343 1.299 20 0 BDADRP CC[N@@H+]1CCC[C@H]1CN[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246074419 972129267 /nfs/dbraw/zinc/12/92/67/972129267.db2.gz PFBCWMBQZXFKRQ-UPJWGTAASA-N 2 0 225.380 1.201 20 0 BDADRP [NH3+]C[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC001246079296 972133411 /nfs/dbraw/zinc/13/34/11/972133411.db2.gz YASBLETZDUOIKA-IXXDHKBRSA-N 2 0 245.370 1.559 20 0 BDADRP C1C[C@H]2CC([NH2+]C3CC[NH2+]CC3)C[C@@H]1O2 ZINC001246082173 972134443 /nfs/dbraw/zinc/13/44/43/972134443.db2.gz WNCHSYGPSUHFRX-YOGCLGLASA-N 2 0 210.321 1.038 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](C[NH2+][C@@H]2COC(C)(C)C2)C1 ZINC001246095672 972148298 /nfs/dbraw/zinc/14/82/98/972148298.db2.gz BXVTXZICJWQEOB-SRVKXCTJSA-N 2 0 226.364 1.389 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H](C)[NH2+]C2)CCO1 ZINC001246098375 972154663 /nfs/dbraw/zinc/15/46/63/972154663.db2.gz PPJDXRWSWATPMG-REWJHTLYSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]1C[C@@H](N[C@@]2(C)CCC[NH2+]CC2)CC[NH2+]1 ZINC001246102048 972161500 /nfs/dbraw/zinc/16/15/00/972161500.db2.gz QSIVZQNREIEBCY-AGIUHOORSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@H]2CCO[C@@H](C)C2)C[NH2+]1 ZINC001246104163 972165393 /nfs/dbraw/zinc/16/53/93/972165393.db2.gz ZXIRGZABXZPKCP-VOAKCMCISA-N 2 0 226.364 1.532 20 0 BDADRP C[C@@H]1CC[C@@H](CN[C@@H]2CC[NH2+]C(C)(C)C2)[NH2+]C1 ZINC001246104999 972165983 /nfs/dbraw/zinc/16/59/83/972165983.db2.gz LFIIUKYYTYFBSZ-UPJWGTAASA-N 2 0 239.407 1.495 20 0 BDADRP C(CC1CC[NH2+]CC1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246104005 972167555 /nfs/dbraw/zinc/16/75/55/972167555.db2.gz IEMORZQSNUJCBD-CYBMUJFWSA-N 3 0 225.380 1.108 20 0 BDADRP C[C@H]1CC[C@H](C[NH2+]C2C[C@@H]3C=C[C@H](C2)O3)[NH2+]C1 ZINC001246107748 972172393 /nfs/dbraw/zinc/17/23/93/972172393.db2.gz UNTDHBSKJAVWDJ-PJIALRRASA-N 2 0 236.359 1.450 20 0 BDADRP CC[C@H]1C[C@@H](N[C@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC001246116494 972179188 /nfs/dbraw/zinc/17/91/88/972179188.db2.gz MRPRIELNFOVSNC-AVGNSLFASA-N 2 0 225.380 1.249 20 0 BDADRP CC[C@H]1C[C@H](N[C@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC001246116495 972180431 /nfs/dbraw/zinc/18/04/31/972180431.db2.gz MRPRIELNFOVSNC-XQQFMLRXSA-N 2 0 225.380 1.249 20 0 BDADRP C1C[C@@]2(C[NH2+]1)CCC[C@@H]([NH2+][C@H]1CCCNC1)C2 ZINC001246121012 972184696 /nfs/dbraw/zinc/18/46/96/972184696.db2.gz VKOXWZOJDPXKEM-RDBSUJKOSA-N 2 0 237.391 1.250 20 0 BDADRP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1cccc(N)c1 ZINC001246178548 972208809 /nfs/dbraw/zinc/20/88/09/972208809.db2.gz YWSPMPDDMITNCN-SNVBAGLBSA-N 2 0 219.332 1.671 20 0 BDADRP CCOC(=O)CCCC[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246185485 972210134 /nfs/dbraw/zinc/21/01/34/972210134.db2.gz FCZRXOBYBDACLN-NWDGAFQWSA-N 2 0 242.363 1.450 20 0 BDADRP C[N@@H+]1CCC[C@@H](NC[C@H]2CCC[NH2+]C2)CC1 ZINC001246197659 972215649 /nfs/dbraw/zinc/21/56/49/972215649.db2.gz BSJZOKCNZVFYPO-QWHCGFSZSA-N 2 0 225.380 1.060 20 0 BDADRP CC(C)C[C@@H](C)C[C@H](C)[NH2+]CCN(C)CC[NH3+] ZINC001246284736 972255653 /nfs/dbraw/zinc/25/56/53/972255653.db2.gz OFNJKGBJSRXEIB-KGLIPLIRSA-N 2 0 243.439 1.927 20 0 BDADRP CC(C)[C@@H]1C[C@H](NCC[C@H](C)[NH3+])CC[NH2+]1 ZINC001246306185 972268737 /nfs/dbraw/zinc/26/87/37/972268737.db2.gz QLFUCLUPNYQJFJ-TUAOUCFPSA-N 2 0 213.369 1.090 20 0 BDADRP CC[C@H]1CC(N[C@H]2CCC[C@@H]2[NH3+])C[C@H](CC)[NH2+]1 ZINC001246310104 972271463 /nfs/dbraw/zinc/27/14/63/972271463.db2.gz MQIIKAYRXCSHRA-IMIFBBOLSA-N 2 0 239.407 1.765 20 0 BDADRP C[NH+]1CCC2(CC[N@H+](Cc3cnccn3)C2)CC1 ZINC001209786853 957530423 /nfs/dbraw/zinc/53/04/23/957530423.db2.gz KHZGWRLZZJHATD-UHFFFAOYSA-N 2 0 246.358 1.394 20 0 BDADRP C[C@H]1C[C@@H]([NH2+][C@@H]2COc3ccccc3C2)CC[NH2+]1 ZINC001246314503 972274932 /nfs/dbraw/zinc/27/49/32/972274932.db2.gz XSORXHYIYSLIIA-UBHSHLNASA-N 2 0 246.354 1.720 20 0 BDADRP C[NH+](C)Cc1ccc(N[C@H]2CC[N@H+](C)C2)nc1 ZINC001167273191 957615553 /nfs/dbraw/zinc/61/55/53/957615553.db2.gz WKRNLEKTNQQCAI-LBPRGKRZSA-N 2 0 234.347 1.259 20 0 BDADRP C[N@@H+]1CC[C@H](Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC001167278250 957624645 /nfs/dbraw/zinc/62/46/45/957624645.db2.gz DREDRKTZEYBYAC-ZDUSSCGKSA-N 2 0 217.316 1.406 20 0 BDADRP C[C@@H]1C[C@H](n2cc3ccc(C[NH3+])cc3n2)CC[NH2+]1 ZINC001246321228 972281206 /nfs/dbraw/zinc/28/12/06/972281206.db2.gz AWJSNFAPENGSTP-ZWNOBZJWSA-N 2 0 244.342 1.808 20 0 BDADRP CC[C@@H]([NH3+])CN1CC[NH2+]C[C@H]1c1ccccc1 ZINC001210194836 957661847 /nfs/dbraw/zinc/66/18/47/957661847.db2.gz DVAAVQBKDKCLFS-KGLIPLIRSA-N 2 0 233.359 1.370 20 0 BDADRP C[NH2+]Cc1cccc(CN[C@@H]2CCCC[NH2+]C2)c1 ZINC001246327074 972290874 /nfs/dbraw/zinc/29/08/74/972290874.db2.gz YDBJGYKJVANHFZ-OAHLLOKOSA-N 2 0 247.386 1.638 20 0 BDADRP C[C@H](C[NH2+][C@H]1CCCNC1)CC(C)(C)CC[NH3+] ZINC001246339199 972298640 /nfs/dbraw/zinc/29/86/40/972298640.db2.gz OWIYIPMNNSUCGQ-STQMWFEESA-N 2 0 241.423 1.729 20 0 BDADRP c1nc2cc(C[NH2+]C3CC[NH2+]CC3)ccc2o1 ZINC001246332446 972295108 /nfs/dbraw/zinc/29/51/08/972295108.db2.gz MESWWFFHYZRVHP-UHFFFAOYSA-N 2 0 231.299 1.669 20 0 BDADRP [NH3+][C@@]12CC[C@@]([NH2+][C@H]3CCC[NH2+]CC3)(C1)CCC2 ZINC001246333307 972295808 /nfs/dbraw/zinc/29/58/08/972295808.db2.gz LGUIFZIHDBSHQX-MELADBBJSA-N 3 0 237.391 1.522 20 0 BDADRP CCCO[C@@H]1CC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000706526257 957947598 /nfs/dbraw/zinc/94/75/98/957947598.db2.gz OUXVBGWCVVHESG-GFCCVEGCSA-N 2 0 212.337 1.239 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCOC(C)(C)C2)CC[NH2+]1 ZINC001246367901 972307943 /nfs/dbraw/zinc/30/79/43/972307943.db2.gz AYWYUAIRLHHZPK-JHJVBQTASA-N 2 0 240.391 1.922 20 0 BDADRP C[N@H+](CCOCC[NH3+])C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000693297498 958185985 /nfs/dbraw/zinc/18/59/85/958185985.db2.gz PAVRRFBIBKEIQH-JGPRNRPPSA-N 2 0 248.317 1.185 20 0 BDADRP CC[C@@H]1C[C@H](N[C@]2(CC)CC[NH2+]C2)CC[NH2+]1 ZINC001246459416 972330515 /nfs/dbraw/zinc/33/05/15/972330515.db2.gz KAFFFUMPWFAFQO-JHJVBQTASA-N 2 0 225.380 1.249 20 0 BDADRP CCCC[C@H]1C[C@H](NCC[NH2+]C(C)C)CC[NH2+]1 ZINC001246459076 972333872 /nfs/dbraw/zinc/33/38/72/972333872.db2.gz IZNRZFXUAMOOET-UONOGXRCSA-N 2 0 241.423 1.885 20 0 BDADRP C[C@@H]1C[C@@H](NC[C@]2(CC3CC3)CCC[NH2+]2)C[NH2+]1 ZINC001246463577 972337534 /nfs/dbraw/zinc/33/75/34/972337534.db2.gz VTQHNRGNEXDCAB-MRVWCRGKSA-N 2 0 237.391 1.249 20 0 BDADRP C[C@@H]1CC[C@@H](NC[C@H]2CCCC[N@@H+]2C)C[NH2+]1 ZINC000399008863 958480601 /nfs/dbraw/zinc/48/06/01/958480601.db2.gz BJEIVOYMMXXVRX-JHJVBQTASA-N 2 0 225.380 1.201 20 0 BDADRP CC1(C)C[C@@H]([NH+]2CCC(C)([NH3+])CC2)CCO1 ZINC000707686470 958672466 /nfs/dbraw/zinc/67/24/66/958672466.db2.gz LQMJNIQIEHECBG-NSHDSACASA-N 2 0 226.364 1.757 20 0 BDADRP C[C@@H]1C[NH+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H](C)S1 ZINC000693564131 958815161 /nfs/dbraw/zinc/81/51/61/958815161.db2.gz ZULSNWDUYDEKAA-DBIOUOCHSA-N 2 0 214.378 1.550 20 0 BDADRP CO[C@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000693585284 958888431 /nfs/dbraw/zinc/88/84/31/958888431.db2.gz LEYVNWCMDSOSHV-WYUUTHIRSA-N 2 0 212.337 1.223 20 0 BDADRP CO[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CC[C@H]1C ZINC000693587120 958892963 /nfs/dbraw/zinc/89/29/63/958892963.db2.gz YCCZMEJMEIWJST-WISYIIOYSA-N 2 0 212.337 1.081 20 0 BDADRP Cc1ncsc1C[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693590507 958900369 /nfs/dbraw/zinc/90/03/69/958900369.db2.gz AZPGTSGJKWPDSP-AOOOYVTPSA-N 2 0 225.361 1.621 20 0 BDADRP [NH3+]CCN1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222160555 972399990 /nfs/dbraw/zinc/39/99/90/972399990.db2.gz FYYPCQWIXPPGRS-ZDUSSCGKSA-N 2 0 225.380 1.191 20 0 BDADRP CC1(CN2CC[C@@]23CCC[NH2+]C3)CC[NH2+]CC1 ZINC001222192283 972401242 /nfs/dbraw/zinc/40/12/42/972401242.db2.gz UTFSJGWXFRMCKQ-CQSZACIVSA-N 2 0 237.391 1.204 20 0 BDADRP CSC(C)(C)C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000686248314 959180193 /nfs/dbraw/zinc/18/01/93/959180193.db2.gz JOLDKFZDQFOZLX-MRVPVSSYSA-N 2 0 202.367 1.326 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC2(CC2(F)F)CC1 ZINC000405085201 959378654 /nfs/dbraw/zinc/37/86/54/959378654.db2.gz JMGHTEYIVDDPGV-MNOVXSKESA-N 2 0 244.329 1.963 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405211205 959415684 /nfs/dbraw/zinc/41/56/84/959415684.db2.gz IDSMPQDMWRXEOQ-JHJVBQTASA-N 2 0 237.391 1.330 20 0 BDADRP COCC1(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CCC1 ZINC000405359520 959448265 /nfs/dbraw/zinc/44/82/65/959448265.db2.gz SVGIBDMSEGFXJX-VXGBXAGGSA-N 2 0 238.375 1.663 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CO[C@H](C)[C@H]1C ZINC000405575465 959465020 /nfs/dbraw/zinc/46/50/20/959465020.db2.gz HSBBEYZGYDJXGP-DDHJBXDOSA-N 2 0 214.353 1.340 20 0 BDADRP C[NH2+]CCCN1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222265508 972432586 /nfs/dbraw/zinc/43/25/86/972432586.db2.gz VHFOKNUTTBDSMW-ZDUSSCGKSA-N 2 0 225.380 1.062 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222310451 972437929 /nfs/dbraw/zinc/43/79/29/972437929.db2.gz VXOJUUHHIMGYBI-CYBMUJFWSA-N 3 0 225.380 1.333 20 0 BDADRP C/C=C(\C)C(=O)N(CC[NH+](CC)CC)C(N)=[NH2+] ZINC001143951578 972440365 /nfs/dbraw/zinc/44/03/65/972440365.db2.gz QACCRXDGGKNKEE-BJMVGYQFSA-N 2 0 240.351 1.016 20 0 BDADRP F[C@H]1CC[NH2+]C[C@@H]1OCCC[C@H]1CCC[NH2+]C1 ZINC001217767853 959582306 /nfs/dbraw/zinc/58/23/06/959582306.db2.gz LKLMPSNRDFICIF-AGIUHOORSA-N 2 0 244.354 1.483 20 0 BDADRP C[NH+]1CCC2(CC[N@H+](Cc3cc[nH]c3)C2)CC1 ZINC001140709070 959685092 /nfs/dbraw/zinc/68/50/92/959685092.db2.gz RPPLQDJPDRLLAZ-UHFFFAOYSA-N 2 0 233.359 1.932 20 0 BDADRP CC1(C)[NH2+][C@H](CO[C@H]2CC[NH2+]CC2(C)C)CO1 ZINC001217877860 959698713 /nfs/dbraw/zinc/69/87/13/959698713.db2.gz DFWFEOWTKSXTIX-MNOVXSKESA-N 2 0 242.363 1.116 20 0 BDADRP CC[C@H]([NH3+])CN1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385530 972451417 /nfs/dbraw/zinc/45/14/17/972451417.db2.gz PMJSKOLNYSRAOJ-STQMWFEESA-N 2 0 225.380 1.332 20 0 BDADRP C[C@H]1CC[C@@H](OCCCC2CC[NH2+]CC2)C[NH2+]1 ZINC001217911260 959746651 /nfs/dbraw/zinc/74/66/51/959746651.db2.gz KZJOVNFFLLZCCM-GXTWGEPZSA-N 2 0 240.391 1.923 20 0 BDADRP [NH3+][C@@H]1C[C@H]1c1ccc(O[C@@H]2C[NH2+]C[C@@H]2F)cc1 ZINC001218002773 959825474 /nfs/dbraw/zinc/82/54/74/959825474.db2.gz SYMYQDRPBFORBZ-WUHRBBMRSA-N 2 0 236.290 1.190 20 0 BDADRP C[C@@H]1C[C@@H](Oc2ccc3c(c2)CC[NH2+]C3)CC[NH2+]1 ZINC001218049924 959845006 /nfs/dbraw/zinc/84/50/06/959845006.db2.gz NWKPTUOHIKWLIX-ABAIWWIYSA-N 2 0 246.354 1.852 20 0 BDADRP C[C@H]1C[N@H+](Cc2cccc3c2OCC3)C[C@H]1C[NH3+] ZINC000708837252 959861909 /nfs/dbraw/zinc/86/19/09/959861909.db2.gz SJVHZCWBKMHDHS-SMDDNHRTSA-N 2 0 246.354 1.648 20 0 BDADRP [NH3+]Cc1cccc(O[C@@H]2C[C@@H]3C[NH2+]C[C@@H]23)c1 ZINC001218330882 959982611 /nfs/dbraw/zinc/98/26/11/959982611.db2.gz OXLMVLWYZJIYGM-RAIGVLPGSA-N 2 0 218.300 1.132 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+](CC3CC[NH2+]CC3)C2)C1 ZINC000310522201 960187418 /nfs/dbraw/zinc/18/74/18/960187418.db2.gz NVCUZOAAKJNWOG-AWEZNQCLSA-N 3 0 237.391 1.014 20 0 BDADRP C[NH+]1CCC2(CC[N@H+](Cc3ncco3)C2)CC1 ZINC001141011130 960199557 /nfs/dbraw/zinc/19/95/57/960199557.db2.gz RAJJIZMZUSOSLJ-UHFFFAOYSA-N 2 0 235.331 1.592 20 0 BDADRP Cc1cc(-n2ccc(CC[NH3+])n2)cc(C)[nH+]1 ZINC001167730637 960264962 /nfs/dbraw/zinc/26/49/62/960264962.db2.gz NWUPOYRSADXJSY-UHFFFAOYSA-N 2 0 216.288 1.385 20 0 BDADRP O[C@H](C[NH2+]CCC[NH+]1CCCCC1)C1CC1 ZINC000695530907 960281416 /nfs/dbraw/zinc/28/14/16/960281416.db2.gz RJCGCKVVQDZJQC-CYBMUJFWSA-N 2 0 226.364 1.223 20 0 BDADRP C[N@H+](CCOCC[NH3+])CC1CCC2(CC2)CC1 ZINC000695620903 960300844 /nfs/dbraw/zinc/30/08/44/960300844.db2.gz VLZDGQFRNPTNEA-UHFFFAOYSA-N 2 0 240.391 1.864 20 0 BDADRP C[NH+](C)CCCC[NH2+]Cc1ccc(F)nc1 ZINC000309962407 960319772 /nfs/dbraw/zinc/31/97/72/960319772.db2.gz LXBALBDLGPVAEH-UHFFFAOYSA-N 2 0 225.311 1.652 20 0 BDADRP CCC[C@@H]1C[C@H]1[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925603401 960436896 /nfs/dbraw/zinc/43/68/96/960436896.db2.gz AKOLXLMXVNFCFN-YMBOUOQFSA-N 2 0 220.360 1.761 20 0 BDADRP COC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000709393268 960551792 /nfs/dbraw/zinc/55/17/92/960551792.db2.gz SOMAPVXKCPNYPE-ZGVCCVRISA-N 2 0 224.348 1.284 20 0 BDADRP C[C@@H]1CCC[N@H+](CC2CC[NH+](C)CC2)[C@@H]1CO ZINC000709415938 960584116 /nfs/dbraw/zinc/58/41/16/960584116.db2.gz SQGWVKAHQIMUFL-TZMCWYRMSA-N 2 0 240.391 1.421 20 0 BDADRP O[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000709467051 960613798 /nfs/dbraw/zinc/61/37/98/960613798.db2.gz OCQWOODZXGEXEA-HEEVUFTQSA-N 2 0 224.348 1.163 20 0 BDADRP C[NH+]1CCC2(CN(Cc3cnco3)C2)CC1 ZINC001140933935 960721855 /nfs/dbraw/zinc/72/18/55/960721855.db2.gz NJAHQMOEVPPARI-UHFFFAOYSA-N 2 0 221.304 1.202 20 0 BDADRP CCC[NH2+]C[C@@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC001268010506 960729963 /nfs/dbraw/zinc/72/99/63/960729963.db2.gz ORGKEJAOSICAGP-NEPJUHHUSA-N 2 0 243.395 1.079 20 0 BDADRP C[C@H]1NCCC[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000925725660 960820110 /nfs/dbraw/zinc/82/01/10/960820110.db2.gz MIAWHRAPTPDJAD-LPWJVIDDSA-N 2 0 225.380 1.234 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CC2(CCO2)C1 ZINC001167838796 961221394 /nfs/dbraw/zinc/22/13/94/961221394.db2.gz WQWUZTULWOXZPJ-ZDUSSCGKSA-N 2 0 240.391 1.972 20 0 BDADRP Cc1ncc(C[NH+]2CCC3(C[NH+](C)C3)CC2)cn1 ZINC001203116757 961224157 /nfs/dbraw/zinc/22/41/57/961224157.db2.gz OXTORCAXLWKECS-UHFFFAOYSA-N 2 0 246.358 1.313 20 0 BDADRP CC[NH2+]C[C@H](CC(C)C)NC(=O)CC[NH+](C)C ZINC001268111195 961232720 /nfs/dbraw/zinc/23/27/20/961232720.db2.gz NMKDEPQXWMJCHV-LBPRGKRZSA-N 2 0 243.395 1.079 20 0 BDADRP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)CCCCC[NH3+] ZINC000841851621 961450052 /nfs/dbraw/zinc/45/00/52/961450052.db2.gz QXCGHBUAQQDODQ-MDZLAQPJSA-N 2 0 241.379 1.008 20 0 BDADRP C([NH2+][C@@H]1C[C@H]2C[C@H]2C1)C12CC[NH+](CC1)CC2 ZINC001167902132 961647769 /nfs/dbraw/zinc/64/77/69/961647769.db2.gz BQDQNXSRWZTBPR-CLLJXQQHSA-N 2 0 220.360 1.860 20 0 BDADRP CN(CC[C@H]1CCCC[N@@H+]1C)C[C@H]1CCC[NH2+]1 ZINC000300422948 961892426 /nfs/dbraw/zinc/89/24/26/961892426.db2.gz MQLKFVLYDRJFJP-ZIAGYGMSSA-N 2 0 239.407 1.545 20 0 BDADRP Nc1cccc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)n1 ZINC001206632115 962126405 /nfs/dbraw/zinc/12/64/05/962126405.db2.gz GGRXSCPVAYCMNI-LLVKDONJSA-N 2 0 234.347 1.225 20 0 BDADRP N[C@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CCC1(F)F ZINC001206648162 962599884 /nfs/dbraw/zinc/59/98/84/962599884.db2.gz MGHNZKOQMHTRAL-MNOVXSKESA-N 2 0 247.333 1.044 20 0 BDADRP C[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167958514 962827302 /nfs/dbraw/zinc/82/73/02/962827302.db2.gz GHHWMHAZUVFVCF-NDNKKMJESA-N 2 0 238.375 1.362 20 0 BDADRP [NH3+]C/C=C/CNc1ccc2c([nH+]1)CCCC2 ZINC000712361616 962871773 /nfs/dbraw/zinc/87/17/73/962871773.db2.gz ACRIRKVAAZMYBX-ONEGZZNKSA-N 2 0 217.316 1.887 20 0 BDADRP [NH3+][C@H]1CCC[C@@H](Nc2ccc3c(n2)CC[NH2+]C3)C1 ZINC001154974617 962927397 /nfs/dbraw/zinc/92/73/97/962927397.db2.gz FHGVFQSRCIYQPV-NWDGAFQWSA-N 2 0 246.358 1.409 20 0 BDADRP Cc1c[nH+]c(N[C@H]2CCC[C@H]([NH3+])C2)c(N)c1 ZINC001154987785 962933054 /nfs/dbraw/zinc/93/30/54/962933054.db2.gz OBMSYSNKOIHWIT-UWVGGRQHSA-N 2 0 220.320 1.654 20 0 BDADRP C[C@H]1C[NH2+]CCC[C@H]1CNc1cc[nH+]c(N)n1 ZINC001155033049 962945422 /nfs/dbraw/zinc/94/54/22/962945422.db2.gz RHYNFHNXGMZPLN-UWVGGRQHSA-N 2 0 235.335 1.106 20 0 BDADRP C[C@@H]1C[C@@H](CNc2cc(C[NH+](C)C)ccn2)C[NH2+]1 ZINC001155102139 962980604 /nfs/dbraw/zinc/98/06/04/962980604.db2.gz ORGYTVNVXHALRQ-DGCLKSJQSA-N 2 0 248.374 1.553 20 0 BDADRP Nc1cc[nH+]c(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC001155580460 963112450 /nfs/dbraw/zinc/11/24/50/963112450.db2.gz LRTNDKJUEUAGMU-MIMYLULJSA-N 2 0 218.304 1.074 20 0 BDADRP CC(C)[N@H+](CCC[NH3+])[C@@H]1CCO[C@@H](C)C1 ZINC001168073348 963604584 /nfs/dbraw/zinc/60/45/84/963604584.db2.gz CNZYRTWYKWKQBL-NWDGAFQWSA-N 2 0 214.353 1.613 20 0 BDADRP CCC[N@H+](CCC[NH3+])[C@@H]1CCO[C@H](C)C1 ZINC001168074097 963608175 /nfs/dbraw/zinc/60/81/75/963608175.db2.gz HCVJKZVKMHEISD-VXGBXAGGSA-N 2 0 214.353 1.615 20 0 BDADRP C[C@H]1C[C@H]([N@H+](C)CCC[NH+]2CCCC2)CCO1 ZINC001168127512 963802006 /nfs/dbraw/zinc/80/20/06/963802006.db2.gz FWBSCAWGECHEJH-UONOGXRCSA-N 2 0 240.391 1.972 20 0 BDADRP C[C@@H]1CN(c2cc3[nH]ccc3c[nH+]2)C[C@@H](C)[NH2+]1 ZINC001158175110 963819105 /nfs/dbraw/zinc/81/91/05/963819105.db2.gz CMAZXFKMFLEFRP-NXEZZACHSA-N 2 0 230.315 1.750 20 0 BDADRP C[C@@H]([NH3+])c1ccn(-c2cc(C[NH+](C)C)ccn2)n1 ZINC001158355128 963853629 /nfs/dbraw/zinc/85/36/29/963853629.db2.gz FQTIKXFOURHEPF-SNVBAGLBSA-N 2 0 245.330 1.349 20 0 BDADRP CC1(Nc2cc(C[NH3+])ccn2)CC[NH2+]CC1 ZINC001168182199 963934857 /nfs/dbraw/zinc/93/48/57/963934857.db2.gz MUVZQGXDPREVBX-UHFFFAOYSA-N 2 0 220.320 1.094 20 0 BDADRP CC1(Nc2[nH+]ccc3c2CCN3)CC[NH2+]CC1 ZINC001168182480 963935879 /nfs/dbraw/zinc/93/58/79/963935879.db2.gz RJVVBGPYXFKORL-UHFFFAOYSA-N 2 0 232.331 1.604 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCCOC1 ZINC000822123837 963938246 /nfs/dbraw/zinc/93/82/46/963938246.db2.gz GDCLUWSUZHSNNQ-VXGBXAGGSA-N 2 0 212.337 1.239 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH2+]C1CCOCC1 ZINC000822123801 963938339 /nfs/dbraw/zinc/93/83/39/963938339.db2.gz FKTSUHBUDIDXGG-LBPRGKRZSA-N 2 0 212.337 1.239 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCCOC1 ZINC000822123835 963939824 /nfs/dbraw/zinc/93/98/24/963939824.db2.gz GDCLUWSUZHSNNQ-NWDGAFQWSA-N 2 0 212.337 1.239 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH2+]C1CCOCC1 ZINC000822123800 963940211 /nfs/dbraw/zinc/94/02/11/963940211.db2.gz FKTSUHBUDIDXGG-GFCCVEGCSA-N 2 0 212.337 1.239 20 0 BDADRP COc1ccc2c(c1)C[C@@H](N1CCC[C@@H]([NH3+])C1)C2 ZINC001168234523 964023758 /nfs/dbraw/zinc/02/37/58/964023758.db2.gz BBHQTZGKQOQCAP-KGLIPLIRSA-N 2 0 246.354 1.586 20 0 BDADRP c1c(N=C2CCC[NH2+]CC2)onc1[C@H]1CCC[NH2+]1 ZINC001159305355 964057803 /nfs/dbraw/zinc/05/78/03/964057803.db2.gz MEMDLHOUSAQUTD-LLVKDONJSA-N 2 0 248.330 1.778 20 0 BDADRP c1c(N=C2CCC[NH2+]CC2)onc1[C@@H]1CCC[NH2+]1 ZINC001159305356 964059345 /nfs/dbraw/zinc/05/93/45/964059345.db2.gz MEMDLHOUSAQUTD-NSHDSACASA-N 2 0 248.330 1.778 20 0 BDADRP [NH3+]Cc1cnn(-c2ccc([C@@H]3CCC[NH2+]3)cn2)c1 ZINC001168255688 964067710 /nfs/dbraw/zinc/06/77/10/964067710.db2.gz ZLEUGTRXECCELE-LBPRGKRZSA-N 2 0 243.314 1.151 20 0 BDADRP Cc1c[nH+]c(N[C@@H](C)[C@@H]2C[NH2+]CCO2)cc1C ZINC001159503203 964115635 /nfs/dbraw/zinc/11/56/35/964115635.db2.gz UWPZAVPVXHMPBN-RYUDHWBXSA-N 2 0 235.331 1.487 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]C2CC(F)(F)C2)C12CCC2 ZINC000697515865 964153750 /nfs/dbraw/zinc/15/37/50/964153750.db2.gz MBODCLJPDBOSOC-RKDXNWHRSA-N 2 0 216.275 1.644 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1nccc2occc21 ZINC001159779680 964193583 /nfs/dbraw/zinc/19/35/83/964193583.db2.gz HUYAVAWSYXZNMZ-SNVBAGLBSA-N 2 0 220.276 1.263 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1cccc(Cl)n1 ZINC001159780221 964194927 /nfs/dbraw/zinc/19/49/27/964194927.db2.gz UQJGHGRFAIROGS-MRVPVSSYSA-N 2 0 214.700 1.171 20 0 BDADRP CC(C)Oc1cccc(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001159785304 964195263 /nfs/dbraw/zinc/19/52/63/964195263.db2.gz OMHYBSLACGUPAL-SNVBAGLBSA-N 2 0 238.335 1.304 20 0 BDADRP Cc1cccc2ncc(N[C@@H]([NH3+])CCC[NH3+])nc12 ZINC001159783112 964195886 /nfs/dbraw/zinc/19/58/86/964195886.db2.gz BLJUBYOPCFMPRM-LLVKDONJSA-N 2 0 245.330 1.374 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ncnc2ccsc21 ZINC001159780354 964196072 /nfs/dbraw/zinc/19/60/72/964196072.db2.gz YFBDSZWHUMPEMC-QMMMGPOBSA-N 2 0 237.332 1.127 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc2ncccc2n1 ZINC001159784878 964197257 /nfs/dbraw/zinc/19/72/57/964197257.db2.gz LNGOMNAQSSBNAQ-NSHDSACASA-N 2 0 231.303 1.065 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ncc(Cl)cc1F ZINC001159780343 964197517 /nfs/dbraw/zinc/19/75/17/964197517.db2.gz YBYTZLJZSNNUGR-QMMMGPOBSA-N 2 0 232.690 1.310 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ncc(F)c2cc[nH]c21 ZINC001159786959 964200071 /nfs/dbraw/zinc/20/00/71/964200071.db2.gz OKGFPQUJKRZJSR-VIFPVBQESA-N 2 0 237.282 1.138 20 0 BDADRP Cc1cccc2ccnc(N[C@@H]([NH3+])CCC[NH3+])c12 ZINC001159789546 964202669 /nfs/dbraw/zinc/20/26/69/964202669.db2.gz VKIHLPGPPTUEBE-GFCCVEGCSA-N 2 0 244.342 1.979 20 0 BDADRP [NH3+]CCc1ccccc1NC1=CCC[NH2+]C1 ZINC001159998301 964239188 /nfs/dbraw/zinc/23/91/88/964239188.db2.gz XCSSCDIHQBBRLU-UHFFFAOYSA-N 2 0 217.316 1.477 20 0 BDADRP CCC1([NH2+]C2CCC([NH+](C)C)CC2)COC1 ZINC001168298376 964387402 /nfs/dbraw/zinc/38/74/02/964387402.db2.gz PYWOERRIQCOEES-UHFFFAOYSA-N 2 0 226.364 1.628 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2CCC[C@@H]2CO)CC1 ZINC001168315236 964424719 /nfs/dbraw/zinc/42/47/19/964424719.db2.gz SKRKYBXVXYIMAM-WXRRBKDZSA-N 2 0 226.364 1.316 20 0 BDADRP C[NH+](C)C1CCC([NH+]2CCC(C)(O)CC2)CC1 ZINC001168315082 964427285 /nfs/dbraw/zinc/42/72/85/964427285.db2.gz RDFYRHYAKUZTJC-UHFFFAOYSA-N 2 0 240.391 1.706 20 0 BDADRP CC(=O)[C@@H]1CCC[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168329746 964466252 /nfs/dbraw/zinc/46/62/52/964466252.db2.gz GDHXIKMWDHCQGA-RUXDESIVSA-N 2 0 238.375 1.913 20 0 BDADRP [NH3+]C/C=C/CNc1cc(-n2ccnc2)cc[nH+]1 ZINC001160982348 964466709 /nfs/dbraw/zinc/46/67/09/964466709.db2.gz IZLZCJUSXGDHHG-OWOJBTEDSA-N 2 0 229.287 1.194 20 0 BDADRP [NH3+]Cc1cccn1C1CC[NH+](CC2CC2)CC1 ZINC001168356786 964516346 /nfs/dbraw/zinc/51/63/46/964516346.db2.gz WQBPHEBGNOGHEI-UHFFFAOYSA-N 2 0 233.359 1.994 20 0 BDADRP [NH3+]CCc1cccc(Nc2cc(C[NH3+])ncn2)c1 ZINC001161078809 964516646 /nfs/dbraw/zinc/51/66/46/964516646.db2.gz KEJCOVROTHNUTQ-UHFFFAOYSA-N 2 0 243.314 1.180 20 0 BDADRP CO[C@@H]1C[C@@H]([NH2+]CC[C@H](C)[NH+](C)C)C12CCC2 ZINC000697824315 964539127 /nfs/dbraw/zinc/53/91/27/964539127.db2.gz BQYQKKRVHQIBOP-YNEHKIRRSA-N 2 0 240.391 1.874 20 0 BDADRP C[NH+](C)CCNc1ccc(C2([NH3+])CCC2)cc1 ZINC001161668348 964672943 /nfs/dbraw/zinc/67/29/43/964672943.db2.gz FTVAXLQGCMGNKQ-UHFFFAOYSA-N 2 0 233.359 1.998 20 0 BDADRP C[NH+](C)CCNc1ccc(C[NH+](C)C)cn1 ZINC001161666877 964674141 /nfs/dbraw/zinc/67/41/41/964674141.db2.gz OVJFQIQWPVMLBS-UHFFFAOYSA-N 2 0 222.336 1.117 20 0 BDADRP Cn1ccc2c1[nH+]ccc2NCC[NH+](C)C ZINC001161672880 964677639 /nfs/dbraw/zinc/67/76/39/964677639.db2.gz MHICJGAFXDGNAM-UHFFFAOYSA-N 2 0 218.304 1.547 20 0 BDADRP CC[NH2+]CCCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001161872360 964802343 /nfs/dbraw/zinc/80/23/43/964802343.db2.gz CSVALJJRWPGISO-UHFFFAOYSA-N 2 0 246.314 1.064 20 0 BDADRP C([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CSC1 ZINC000697998429 964858519 /nfs/dbraw/zinc/85/85/19/964858519.db2.gz BDDYAPBGSSRDCU-RYUDHWBXSA-N 2 0 226.389 1.566 20 0 BDADRP Cc1cc(C)[nH+]c(N[C@H]2C[C@@](C)([NH3+])C2)c1 ZINC001162325403 964931477 /nfs/dbraw/zinc/93/14/77/964931477.db2.gz YAFKUXGYMYVLFN-KLPPZKSPSA-N 2 0 205.305 1.990 20 0 BDADRP C[N@H+](C1CC1)C1CC[NH+](CC2CC2)CC1 ZINC001168371015 964935583 /nfs/dbraw/zinc/93/55/83/964935583.db2.gz BORHHQWQMIQLPC-UHFFFAOYSA-N 2 0 208.349 1.955 20 0 BDADRP C[n+]1cccc(N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC001162403492 964962381 /nfs/dbraw/zinc/96/23/81/964962381.db2.gz DNSHZNGACJPOJB-WDEREUQCSA-N 2 0 206.313 1.193 20 0 BDADRP [NH3+]Cc1cccc(N[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC001162405309 964965984 /nfs/dbraw/zinc/96/59/84/964965984.db2.gz UGFGZZGVDAJMAP-VHSXEESVSA-N 2 0 220.320 1.222 20 0 BDADRP C/C=C(\NC=[NH2+])NC[C@@H]1CCC[NH2+]C[C@H]1C ZINC001162455331 964985895 /nfs/dbraw/zinc/98/58/95/964985895.db2.gz RUXBAHGDXVUONV-XOIHBREOSA-N 2 0 224.352 1.270 20 0 BDADRP C[C@]1(O)CC[N@@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168374279 964993084 /nfs/dbraw/zinc/99/30/84/964993084.db2.gz YIFUKUJGBPSWJO-AWEZNQCLSA-N 2 0 238.375 1.318 20 0 BDADRP C1=C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000698205077 965105641 /nfs/dbraw/zinc/10/56/41/965105641.db2.gz NMYDZAAWFJFNCH-XQQFMLRXSA-N 2 0 206.333 1.921 20 0 BDADRP C[C@H]1[NH2+]CC[C@H]1Nc1ccc(C[NH+](C)C)cn1 ZINC001162670274 965106418 /nfs/dbraw/zinc/10/64/18/965106418.db2.gz CDGDSXRXVYYVQX-ZYHUDNBSSA-N 2 0 234.347 1.306 20 0 BDADRP C1=C[C@H](Nc2ccc3c([nH+]2)CCC3)[C@@H]2C[NH2+]C[C@H]12 ZINC001162794489 965182896 /nfs/dbraw/zinc/18/28/96/965182896.db2.gz PNJNNGGDCRIOTP-SCRDCRAPSA-N 2 0 241.338 1.756 20 0 BDADRP Cc1c[nH+]c(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)c(N)c1 ZINC001162797895 965186655 /nfs/dbraw/zinc/18/66/55/965186655.db2.gz PRIVPHBUJBBTFF-JFGNBEQYSA-N 2 0 230.315 1.158 20 0 BDADRP [NH3+][C@H]1COC[C@H]1Nc1cc[nH+]c(C2CC2)c1 ZINC001162926189 965211421 /nfs/dbraw/zinc/21/14/21/965211421.db2.gz LQZIMLRISMVSIV-CMPLNLGQSA-N 2 0 219.288 1.097 20 0 BDADRP CC(C)N(c1ncc2c(n1)C[NH2+]C2)C(C)(C)C[NH3+] ZINC001163188034 965292655 /nfs/dbraw/zinc/29/26/55/965292655.db2.gz JZMXIONISFLVFZ-UHFFFAOYSA-N 2 0 249.362 1.032 20 0 BDADRP Nc1cc(N[C@H](C[NH3+])c2ccccc2)ncn1 ZINC001163297486 965325103 /nfs/dbraw/zinc/32/51/03/965325103.db2.gz BMLONMKRXSXLNT-SNVBAGLBSA-N 2 0 229.287 1.171 20 0 BDADRP [NH3+]C1(CNc2cc(-n3ccnc3)cc[nH+]2)CCC1 ZINC001163328648 965332816 /nfs/dbraw/zinc/33/28/16/965332816.db2.gz YMNRJEHGRATTGI-UHFFFAOYSA-N 2 0 243.314 1.561 20 0 BDADRP CN(C)c1cccc(N2CCC([NH3+])CC2)[nH+]1 ZINC001163572440 965453688 /nfs/dbraw/zinc/45/36/88/965453688.db2.gz IOUWABGKGYMIMW-UHFFFAOYSA-N 2 0 220.320 1.075 20 0 BDADRP CN(CC[NH+](C)C)c1cc(-n2ccnc2)cc[nH+]1 ZINC001163591262 965470732 /nfs/dbraw/zinc/47/07/32/965470732.db2.gz ZEUKGLGDRCEFEE-UHFFFAOYSA-N 2 0 245.330 1.265 20 0 BDADRP CC(C)[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001493683970 965473028 /nfs/dbraw/zinc/47/30/28/965473028.db2.gz GGBMIWGWZJFUHS-GFCCVEGCSA-N 2 0 243.395 1.029 20 0 BDADRP Cc1cc2cc(N(CC[NH3+])CCO)ccc2c[nH+]1 ZINC001163840390 965605980 /nfs/dbraw/zinc/60/59/80/965605980.db2.gz WUQSNJQMOGGNOG-UHFFFAOYSA-N 2 0 245.326 1.301 20 0 BDADRP C[NH+](C)C1CN(c2cc(-n3ccnc3)cc[nH+]2)C1 ZINC001163942958 965651793 /nfs/dbraw/zinc/65/17/93/965651793.db2.gz UDYUBNWPUZLPTO-UHFFFAOYSA-N 2 0 243.314 1.018 20 0 BDADRP Cc1cc(C[NH3+])nn1-c1cccc(C[NH3+])c1 ZINC001163982013 965675993 /nfs/dbraw/zinc/67/59/93/965675993.db2.gz WOUQIJBPMUMJII-UHFFFAOYSA-N 2 0 216.288 1.098 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C[C@H]2COC(C)(C)O2)CC[N@@H+]1C ZINC000715115862 965723011 /nfs/dbraw/zinc/72/30/11/965723011.db2.gz QMJQOYGUELUGSA-TUAOUCFPSA-N 2 0 242.363 1.210 20 0 BDADRP C[C@]1(C[NH3+])CCCN(c2ccnc(N)n2)CC1 ZINC001164247378 965809859 /nfs/dbraw/zinc/80/98/59/965809859.db2.gz IBAOBBJAEVPJJE-LBPRGKRZSA-N 2 0 235.335 1.014 20 0 BDADRP CC(C)[C@@H](CCO)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715196901 965822161 /nfs/dbraw/zinc/82/21/61/965822161.db2.gz AAYFPCVROKCTGI-JXQTWKCFSA-N 2 0 242.407 1.856 20 0 BDADRP Nc1cc(N2CC[C@@H]([NH3+])C2)[nH+]cc1C(F)(F)F ZINC001164280047 965824097 /nfs/dbraw/zinc/82/40/97/965824097.db2.gz WZNMKVGCYZMHOF-ZCFIWIBFSA-N 2 0 246.236 1.220 20 0 BDADRP [NH3+][C@H]1CCC[N@H+](Cc2cccc3n[nH]cc32)CC1 ZINC001205109920 965830756 /nfs/dbraw/zinc/83/07/56/965830756.db2.gz NBAKTAWMLOZPKS-LBPRGKRZSA-N 2 0 244.342 1.876 20 0 BDADRP CC[NH+](CC)Cc1cncc(N2CC[C@@H]([NH3+])C2)c1 ZINC001164286505 965830834 /nfs/dbraw/zinc/83/08/34/965830834.db2.gz QROOMVGBBZOZGV-CYBMUJFWSA-N 2 0 248.374 1.461 20 0 BDADRP [NH3+][C@H]1CCC[N@H+](Cc2ccc3c(c2)CCN3)CC1 ZINC001205117783 965871619 /nfs/dbraw/zinc/87/16/19/965871619.db2.gz VGMVNBUKKHBPFO-AWEZNQCLSA-N 2 0 245.370 1.968 20 0 BDADRP COc1cc[nH+]c(N2C[C@@H](C[NH3+])CC[C@H]2C)c1 ZINC001164455171 965888138 /nfs/dbraw/zinc/88/81/38/965888138.db2.gz BPCQRMQUWFWRGH-GHMZBOCLSA-N 2 0 235.331 1.654 20 0 BDADRP C(CN1CCCCC12C[NH2+]C2)[C@@H]1CCC[NH2+]C1 ZINC001235104119 966005320 /nfs/dbraw/zinc/00/53/20/966005320.db2.gz SIWWAOQBALAYBO-ZDUSSCGKSA-N 2 0 237.391 1.204 20 0 BDADRP [NH3+][C@@]12CCC[C@@H]1CN(CC[C@H]1CCCC[NH2+]1)C2 ZINC001235238832 966032436 /nfs/dbraw/zinc/03/24/36/966032436.db2.gz ABCAXCBHOAAGNM-MGPQQGTHSA-N 2 0 237.391 1.332 20 0 BDADRP CN(Cc1ccc2c(c1)C[NH2+]C2)[C@@H]1CCC[NH2+]C1 ZINC001235346556 966046783 /nfs/dbraw/zinc/04/67/83/966046783.db2.gz HXKZCTQFCAXQJC-OAHLLOKOSA-N 2 0 245.370 1.474 20 0 BDADRP Cc1cc2[nH]ccc2c(N2CC[C@H]3C[C@@]3([NH3+])C2)[nH+]1 ZINC001165325906 966055079 /nfs/dbraw/zinc/05/50/79/966055079.db2.gz CHAARIAPBLBDMW-IINYFYTJSA-N 2 0 242.326 1.799 20 0 BDADRP C[C@@H]1CC[C@H](O)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000691357703 966115397 /nfs/dbraw/zinc/11/53/97/966115397.db2.gz CXYIEJPXFNHOQB-YPMHNXCESA-N 2 0 226.364 1.173 20 0 BDADRP Cc1cccc2c(CN(CC[NH3+])CC[NH3+])c[nH]c21 ZINC001235877764 966124585 /nfs/dbraw/zinc/12/45/85/966124585.db2.gz UJLMZMTVSKMMFZ-UHFFFAOYSA-N 2 0 246.358 1.196 20 0 BDADRP CC1(C[NH3+])C[NH+](CC2CCSCC2)C1 ZINC001206710977 966186917 /nfs/dbraw/zinc/18/69/17/966186917.db2.gz CDFTYJIJSCDFCB-UHFFFAOYSA-N 2 0 214.378 1.410 20 0 BDADRP CC[C@H](CCC(=O)OC)C[NH+]1CC(C)(C[NH3+])C1 ZINC001206711233 966189881 /nfs/dbraw/zinc/18/98/81/966189881.db2.gz HBIZDCVKMNGJEC-LLVKDONJSA-N 2 0 242.363 1.246 20 0 BDADRP CC1(C)C[C@H](C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)CCO1 ZINC001235977325 966192130 /nfs/dbraw/zinc/19/21/30/966192130.db2.gz GNBDFIITDLRFLJ-YRGRVCCFSA-N 2 0 238.375 1.615 20 0 BDADRP [NH3+]Cc1ccc(CN2C[C@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235989680 966211047 /nfs/dbraw/zinc/21/10/47/966211047.db2.gz JFCWSSMYJXTZFA-ZIAGYGMSSA-N 2 0 231.343 1.068 20 0 BDADRP C[N@H+](CC1CC[NH2+]CC1)[C@H]1CCCC[C@H]1N ZINC001236210346 966310405 /nfs/dbraw/zinc/31/04/05/966310405.db2.gz CDJLSRFWNFBDHS-OLZOCXBDSA-N 2 0 225.380 1.188 20 0 BDADRP C[NH+](C)CC1(CN2C[C@H]3C[NH2+]C[C@@H]32)CCCC1 ZINC001236283245 966329762 /nfs/dbraw/zinc/32/97/62/966329762.db2.gz IHXZHWBJXZUZOP-OLZOCXBDSA-N 2 0 237.391 1.012 20 0 BDADRP C[NH+](C)CC1(CN2C[C@@H]3C[NH2+]C[C@H]32)CCCC1 ZINC001236283247 966330003 /nfs/dbraw/zinc/33/00/03/966330003.db2.gz IHXZHWBJXZUZOP-QWHCGFSZSA-N 2 0 237.391 1.012 20 0 BDADRP Cc1ncc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cn1 ZINC001236313972 966361391 /nfs/dbraw/zinc/36/13/91/966361391.db2.gz CLSKINVNSIDVNW-OKILXGFUSA-N 2 0 246.358 1.216 20 0 BDADRP CN(C[C@@H]1CC[NH2+]C1)c1[nH+]ccc2[nH]ccc21 ZINC001166954700 966481869 /nfs/dbraw/zinc/48/18/69/966481869.db2.gz INAIAWZSFNBTMK-SNVBAGLBSA-N 2 0 230.315 1.609 20 0 BDADRP Nc1ccccc1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237415578 966658661 /nfs/dbraw/zinc/65/86/61/966658661.db2.gz QAWIEBKTJWYRNX-ZFWWWQNUSA-N 2 0 245.370 1.843 20 0 BDADRP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1(C)COC1 ZINC001276415659 966739472 /nfs/dbraw/zinc/73/94/72/966739472.db2.gz OCIYEBWRPFHTAD-YOGCLGLASA-N 2 0 224.348 1.238 20 0 BDADRP C[N@H+](CCCCCCO)CC(C)(C)[NH3+] ZINC000692044517 966742198 /nfs/dbraw/zinc/74/21/98/966742198.db2.gz ULEJDQMMCHULJN-UHFFFAOYSA-N 2 0 202.342 1.208 20 0 BDADRP CCC(O)(CC)C[NH2+]CC1CC[NH+](C)CC1 ZINC000083463480 966765541 /nfs/dbraw/zinc/76/55/41/966765541.db2.gz GIMXSPQTGHGGEE-UHFFFAOYSA-N 2 0 228.380 1.469 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@@H]2C[C@@H](O)C2(C)C)CC1 ZINC000715490057 966920465 /nfs/dbraw/zinc/92/04/65/966920465.db2.gz ITZHLYUAONPCDL-FIYWTHMPSA-N 2 0 240.391 1.608 20 0 BDADRP [NH3+][C@H](Cc1ccccc1)CN1CCC[C@@H](O)C1 ZINC001204611577 967104571 /nfs/dbraw/zinc/10/45/71/967104571.db2.gz VDFZCEDJRYVLNX-ZIAGYGMSSA-N 2 0 234.343 1.013 20 0 BDADRP COC1CCC(C[N@@H+]2CC[C@](C)([NH3+])C2)CC1 ZINC001204763934 967154079 /nfs/dbraw/zinc/15/40/79/967154079.db2.gz TZLQMNSZHOLLPE-BPCQOVAHSA-N 2 0 226.364 1.615 20 0 BDADRP C[C@H]1C[N@@H+](C2CCC([NH+](C)C)CC2)CCC1=O ZINC000715558801 967161837 /nfs/dbraw/zinc/16/18/37/967161837.db2.gz SJDLKLSZIQCUDN-HIFPTAJRSA-N 2 0 238.375 1.770 20 0 BDADRP CC[C@@H](O)C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000715560998 967181676 /nfs/dbraw/zinc/18/16/76/967181676.db2.gz GDTCHPVFXRTYLB-QJPTWQEYSA-N 2 0 214.353 1.220 20 0 BDADRP CCCOCC[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715572795 967190032 /nfs/dbraw/zinc/19/00/32/967190032.db2.gz NZMSVKYVYIBFBY-UHFFFAOYSA-N 2 0 228.380 1.875 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000300660545 967221894 /nfs/dbraw/zinc/22/18/94/967221894.db2.gz XJOWVPCQVNZHSO-CABNGKKXSA-N 2 0 238.375 1.674 20 0 BDADRP [NH3+]C[C@H]1CCCCN1Cc1ccc2c(c1)C[NH2+]C2 ZINC001204933920 967241161 /nfs/dbraw/zinc/24/11/61/967241161.db2.gz YHLYMIQEGPGEIA-OAHLLOKOSA-N 2 0 245.370 1.603 20 0 BDADRP C[C@]1([NH3+])CCC[N@H+](CCCCCC[NH3+])C1 ZINC001204939463 967242842 /nfs/dbraw/zinc/24/28/42/967242842.db2.gz RLOUJVSYEUHVJU-LBPRGKRZSA-N 3 0 213.369 1.319 20 0 BDADRP C[C@]1([NH3+])CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC001204939836 967247286 /nfs/dbraw/zinc/24/72/86/967247286.db2.gz UTSONOVLJWRODB-ZDUSSCGKSA-N 3 0 225.380 1.189 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C1 ZINC000721934326 967257021 /nfs/dbraw/zinc/25/70/21/967257021.db2.gz YIQMFJWXDSDSDA-HPCHECBXSA-N 2 0 238.375 1.471 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000721934329 967257668 /nfs/dbraw/zinc/25/76/68/967257668.db2.gz YIQMFJWXDSDSDA-QNSTZXKLSA-N 2 0 238.375 1.471 20 0 BDADRP C[C@@H](O)[C@H]1CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000691351648 967262624 /nfs/dbraw/zinc/26/26/24/967262624.db2.gz UFUALMYCABXRBB-YPMHNXCESA-N 2 0 226.364 1.031 20 0 BDADRP Cc1cnsc1C[NH+]1CCC(C[NH3+])CC1 ZINC001205053874 967308218 /nfs/dbraw/zinc/30/82/18/967308218.db2.gz RUVIDBPCAIBNKW-UHFFFAOYSA-N 2 0 225.361 1.622 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2c[nH]c3cnccc23)CC1 ZINC001205047209 967308998 /nfs/dbraw/zinc/30/89/98/967308998.db2.gz RJCDNEJZQGHUBP-UHFFFAOYSA-N 2 0 244.342 1.734 20 0 BDADRP [NH3+][C@@H]1CCC[N@H+](CCC23CC([NH3+])(C2)C3)CC1 ZINC001205088707 967330291 /nfs/dbraw/zinc/33/02/91/967330291.db2.gz RNOPPEOQFGILAK-PNESKVBLSA-N 3 0 223.364 1.071 20 0 BDADRP Cc1ccc(O)c(C[N@@H+]2CCC[C@H]([NH3+])CC2)n1 ZINC001205110605 967356201 /nfs/dbraw/zinc/35/62/01/967356201.db2.gz WXCCIUIGGMPXQK-NSHDSACASA-N 2 0 235.331 1.409 20 0 BDADRP [NH3+][C@@H]1CCC[N@H+](Cc2ccc3n[nH]cc3c2)CC1 ZINC001205110135 967357668 /nfs/dbraw/zinc/35/76/68/967357668.db2.gz PJJZRABBMRUCJY-CYBMUJFWSA-N 2 0 244.342 1.876 20 0 BDADRP C[C@H]1C[N@H+](CCc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC001205130407 967373949 /nfs/dbraw/zinc/37/39/49/967373949.db2.gz DVTDNAKQRVEGSV-WCQYABFASA-N 2 0 236.334 1.895 20 0 BDADRP C[C@H]1C[N@H+](Cc2cc3ncccc3[nH]2)C[C@H]1C[NH3+] ZINC001205145809 967386897 /nfs/dbraw/zinc/38/68/97/967386897.db2.gz IQWWRCVKXXCNLC-WDEREUQCSA-N 2 0 244.342 1.590 20 0 BDADRP C[C@H]1C[N@H+](Cc2c[nH]c3ccncc23)C[C@H]1C[NH3+] ZINC001205140919 967386943 /nfs/dbraw/zinc/38/69/43/967386943.db2.gz RTDHESAHMILWRI-WDEREUQCSA-N 2 0 244.342 1.590 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCN1Cc1cccc(N(C)C)c1 ZINC001205191116 967416693 /nfs/dbraw/zinc/41/66/93/967416693.db2.gz WYUZZXQGURRGJC-BXUZGUMPSA-N 2 0 233.359 1.674 20 0 BDADRP Cc1ccncc1C[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205228349 967429037 /nfs/dbraw/zinc/42/90/37/967429037.db2.gz DHQJSUZQKIOWOX-AWEZNQCLSA-N 2 0 249.358 1.066 20 0 BDADRP CC1(C)OC[C@H](C[N@@H+]2CCC[C@](C)([NH3+])CC2)O1 ZINC001205257142 967443597 /nfs/dbraw/zinc/44/35/97/967443597.db2.gz SPEGNEQWEGMLSC-AAEUAGOBSA-N 2 0 242.363 1.341 20 0 BDADRP COCCCC[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205255874 967444293 /nfs/dbraw/zinc/44/42/93/967444293.db2.gz MLYANGGLGNYTBH-LBPRGKRZSA-N 2 0 214.353 1.616 20 0 BDADRP Cc1c(C[N@@H+]2CCC[C@](C)([NH3+])CC2)cnn1C ZINC001205265663 967458492 /nfs/dbraw/zinc/45/84/92/967458492.db2.gz QOBZEHQVTCJTQP-ZDUSSCGKSA-N 2 0 236.363 1.432 20 0 BDADRP C[C@]1([NH3+])CCC[N@H+](Cc2cc[nH]c2)CC1 ZINC001205273017 967465984 /nfs/dbraw/zinc/46/59/84/967465984.db2.gz CILSDGJKOOXAGF-LBPRGKRZSA-N 2 0 207.321 1.718 20 0 BDADRP C[C@@H]1CCN(CC[C@@H]2CCCC[NH2+]2)C[C@H]1C[NH3+] ZINC001205295713 967496932 /nfs/dbraw/zinc/49/69/32/967496932.db2.gz BANCZRJFRWTNRT-MCIONIFRSA-N 2 0 239.407 1.435 20 0 BDADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2ccc[nH]2)CC1 ZINC001205545583 967663905 /nfs/dbraw/zinc/66/39/05/967663905.db2.gz JPVGEUHYCJUAHB-GFCCVEGCSA-N 2 0 225.311 1.668 20 0 BDADRP [NH3+]C[C@]1(F)CCC[N@H+](CC2CCC2)CC1 ZINC001205537122 967667604 /nfs/dbraw/zinc/66/76/04/967667604.db2.gz CWNLXNCJHHTWGG-LBPRGKRZSA-N 2 0 214.328 1.939 20 0 BDADRP CCCC[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205537205 967674332 /nfs/dbraw/zinc/67/43/32/967674332.db2.gz FZTWOBDGMWBVSR-LLVKDONJSA-N 2 0 202.317 1.939 20 0 BDADRP Cc1coc(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)n1 ZINC001205592041 967712356 /nfs/dbraw/zinc/71/23/56/967712356.db2.gz QPCSPINLCZOUJZ-LBPRGKRZSA-N 2 0 241.310 1.636 20 0 BDADRP Cc1[nH+]cn(-c2ccc3c[nH+]cn3c2)c1N ZINC001250330190 967715468 /nfs/dbraw/zinc/71/54/68/967715468.db2.gz RTBLGAJXRMTQBK-UHFFFAOYSA-N 2 0 213.244 1.411 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)CC[C@@H]1C[NH3+] ZINC001205601620 967718288 /nfs/dbraw/zinc/71/82/88/967718288.db2.gz FKKMZYSTOKXDFO-HZSPNIEDSA-N 3 0 239.407 1.293 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)CC[C@@H]1C[NH3+] ZINC001205601622 967719953 /nfs/dbraw/zinc/71/99/53/967719953.db2.gz FKKMZYSTOKXDFO-MGPQQGTHSA-N 3 0 239.407 1.293 20 0 BDADRP C[C@@H]1CCN(C[C@@H]2CCC[NH2+]2)CC[C@@H]1C[NH3+] ZINC001205600536 967721124 /nfs/dbraw/zinc/72/11/24/967721124.db2.gz CEYHUCJSYWHSCM-UPJWGTAASA-N 2 0 225.380 1.045 20 0 BDADRP Cc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)[nH]n1 ZINC001205603033 967721690 /nfs/dbraw/zinc/72/16/90/967721690.db2.gz NAUANJDNHJGTHH-ZYHUDNBSSA-N 2 0 236.363 1.525 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2cccc(=O)[nH]2)CC[C@@H]1C[NH3+] ZINC001205618914 967726226 /nfs/dbraw/zinc/72/62/26/967726226.db2.gz ZCTMFQGKGYHWKX-VXGBXAGGSA-N 2 0 249.358 1.594 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2cnccc2N)CC[C@H]1C[NH3+] ZINC001205618574 967728709 /nfs/dbraw/zinc/72/87/09/967728709.db2.gz XGVFYPRDMLMERG-NEPJUHHUSA-N 2 0 248.374 1.301 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2ncccc2N)CC[C@@H]1C[NH3+] ZINC001205616246 967729120 /nfs/dbraw/zinc/72/91/20/967729120.db2.gz DSKAHALXXYKIGS-VXGBXAGGSA-N 2 0 248.374 1.471 20 0 BDADRP C[C@H]1CC[N@H+](Cc2cccnc2N)CC[C@@H]1C[NH3+] ZINC001205637031 967734726 /nfs/dbraw/zinc/73/47/26/967734726.db2.gz GFJTVIJUNROTQI-NWDGAFQWSA-N 2 0 248.374 1.471 20 0 BDADRP C[C@H]1CC[N@H+](Cc2ccncc2[O-])CC[C@H]1C[NH3+] ZINC001205627553 967734779 /nfs/dbraw/zinc/73/47/79/967734779.db2.gz QNFXYYLGRGMFIB-RYUDHWBXSA-N 2 0 249.358 1.594 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2cccnc2N)CC[C@H]1C[NH3+] ZINC001205637029 967738206 /nfs/dbraw/zinc/73/82/06/967738206.db2.gz GFJTVIJUNROTQI-NEPJUHHUSA-N 2 0 248.374 1.471 20 0 BDADRP Cc1coc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)n1 ZINC001205655200 967751395 /nfs/dbraw/zinc/75/13/95/967751395.db2.gz YZSHKVMIRKJLQL-JQWIXIFHSA-N 2 0 237.347 1.790 20 0 BDADRP Nc1cc(N[C@H]2CCC[C@H]([NH3+])C2)[nH+]cc1F ZINC001162392851 967825111 /nfs/dbraw/zinc/82/51/11/967825111.db2.gz HQYHCPJSBAIVDI-YUMQZZPRSA-N 2 0 224.283 1.485 20 0 BDADRP C[C@@H]1CC[C@H](C[NH3+])N(C[C@@H]2CCCC[NH2+]2)C1 ZINC001205806654 967829394 /nfs/dbraw/zinc/82/93/94/967829394.db2.gz VAGSKUDPQATUQQ-FRRDWIJNSA-N 2 0 225.380 1.188 20 0 BDADRP [NH3+][C@H](CN1CCCC[C@H]([NH3+])C1)c1ccccc1 ZINC001205923438 967885356 /nfs/dbraw/zinc/88/53/56/967885356.db2.gz NXFXRUOVBSILKN-UONOGXRCSA-N 2 0 233.359 1.500 20 0 BDADRP C[C@@H](C[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1)c1ccccc1 ZINC001205946968 967896971 /nfs/dbraw/zinc/89/69/71/967896971.db2.gz UQNHJXKBKGKNHW-IACUBPJLSA-N 2 0 234.343 1.184 20 0 BDADRP C[C@H]1C[N@H+](CCCCO)CCC[C@@H]1C[NH3+] ZINC001205984678 967929360 /nfs/dbraw/zinc/92/93/60/967929360.db2.gz UCWISLVJOUMVPP-NWDGAFQWSA-N 2 0 214.353 1.066 20 0 BDADRP Cc1cncc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)n1 ZINC001205983909 967929535 /nfs/dbraw/zinc/92/95/35/967929535.db2.gz PYGCIIGLUWMDHC-AAEUAGOBSA-N 2 0 248.374 1.592 20 0 BDADRP C[C@H]1C[N@H+](Cc2cc[nH]c(=O)c2)CCC[C@@H]1C[NH3+] ZINC001205992583 967938502 /nfs/dbraw/zinc/93/85/02/967938502.db2.gz FMDZQFSXZANVCD-WCQYABFASA-N 2 0 249.358 1.594 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cc[nH]c(=O)c2)CCC[C@@H]1C[NH3+] ZINC001205992582 967943339 /nfs/dbraw/zinc/94/33/39/967943339.db2.gz FMDZQFSXZANVCD-DGCLKSJQSA-N 2 0 249.358 1.594 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccon2)CCC[C@@H]1C[NH3+] ZINC001205996562 967949855 /nfs/dbraw/zinc/94/98/55/967949855.db2.gz XGPOYRVXVRELQI-WDEREUQCSA-N 2 0 223.320 1.481 20 0 BDADRP C[C@@H]1C[N@H+](Cc2nccs2)CCC[C@@H]1C[NH3+] ZINC001205992921 967953307 /nfs/dbraw/zinc/95/33/07/967953307.db2.gz GFIAOJLOJIKNQU-GHMZBOCLSA-N 2 0 239.388 1.950 20 0 BDADRP C[C@H]1CC[C@@H](C[NH3+])N1CC(C)(C)C[NH+](C)C ZINC001205058434 967954816 /nfs/dbraw/zinc/95/48/16/967954816.db2.gz MIWXQMAMDDITOM-RYUDHWBXSA-N 2 0 227.396 1.386 20 0 BDADRP Cc1nccnc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206003694 967959361 /nfs/dbraw/zinc/95/93/61/967959361.db2.gz LJITUMPZFVQSEM-AAEUAGOBSA-N 2 0 248.374 1.592 20 0 BDADRP C[C@H]1C[N@H+](Cc2c[nH]ccc2=O)CCC[C@@H]1C[NH3+] ZINC001206026259 967983695 /nfs/dbraw/zinc/98/36/95/967983695.db2.gz RDNGAVFNEYZMEQ-NWDGAFQWSA-N 2 0 249.358 1.182 20 0 BDADRP CCN1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000699205076 968075527 /nfs/dbraw/zinc/07/55/27/968075527.db2.gz PHOAZONRIALZAL-AGUYFDCRSA-N 2 0 237.391 1.155 20 0 BDADRP [NH3+][C@H]1CCN(Cc2cccc(=O)[nH]2)CC[C@H]1F ZINC001206167315 968102301 /nfs/dbraw/zinc/10/23/01/968102301.db2.gz YGLQCUKUPGHQAN-MNOVXSKESA-N 2 0 239.294 1.048 20 0 BDADRP C[C@H](C[NH+](C)C)Nc1cc[nH+]cc1C(F)(F)F ZINC001163777494 968112190 /nfs/dbraw/zinc/11/21/90/968112190.db2.gz WSEYBXBGGBDGEG-MRVPVSSYSA-N 2 0 247.264 1.884 20 0 BDADRP CO[C@@H](C)C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC001206214997 968147776 /nfs/dbraw/zinc/14/77/76/968147776.db2.gz JFXIPZFCURFSBW-RYUDHWBXSA-N 2 0 214.353 1.343 20 0 BDADRP Cc1c[nH+]c(N2CCC[C@@](C)(C[NH3+])CC2)c(N)c1 ZINC001164249526 968197584 /nfs/dbraw/zinc/19/75/84/968197584.db2.gz XSLVOTBBZORRBM-CQSZACIVSA-N 2 0 248.374 1.928 20 0 BDADRP CC1(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)COC1 ZINC001206292484 968200896 /nfs/dbraw/zinc/20/08/96/968200896.db2.gz BVBGGYAPCJNUFX-GFCCVEGCSA-N 2 0 226.364 1.474 20 0 BDADRP C[N@@H+]1CCC[C@@H](OCC[NH+]2CCCC2)C1 ZINC001206302656 968209272 /nfs/dbraw/zinc/20/92/72/968209272.db2.gz PEIFJLRFARVCHU-GFCCVEGCSA-N 2 0 212.337 1.193 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC001206308686 968213910 /nfs/dbraw/zinc/21/39/10/968213910.db2.gz GGXAGCLMTRMSGZ-ZDUSSCGKSA-N 2 0 226.364 1.582 20 0 BDADRP Cc1c(N)cc[nH+]c1-c1cnn(CC[NH+](C)C)c1 ZINC001206316674 968221341 /nfs/dbraw/zinc/22/13/41/968221341.db2.gz KDHUQVIRYZLFCI-UHFFFAOYSA-N 2 0 245.330 1.397 20 0 BDADRP CC=C(NC=[NH2+])c1cnn(CC[NH+](C)C)c1 ZINC001206317184 968222934 /nfs/dbraw/zinc/22/29/34/968222934.db2.gz UTHFVHYRDHOLIL-WCIBSUBMSA-N 2 0 221.308 1.002 20 0 BDADRP Cc1c[nH+]c(N2C[C@H](C[NH3+])CC[C@H]2C)cc1N ZINC001164467531 968237586 /nfs/dbraw/zinc/23/75/86/968237586.db2.gz JFLZGABWMSMOTM-MNOVXSKESA-N 2 0 234.347 1.536 20 0 BDADRP C[NH+](C)CCn1cc(-c2ccccc2C[NH3+])cn1 ZINC001206359930 968259142 /nfs/dbraw/zinc/25/91/42/968259142.db2.gz YDCIAHILRUXPKN-UHFFFAOYSA-N 2 0 244.342 1.570 20 0 BDADRP C[NH+]1CCC(C)(CN2C[C@@H]([NH3+])C[C@H](F)C2)CC1 ZINC001206406364 968283485 /nfs/dbraw/zinc/28/34/85/968283485.db2.gz XRHKMFCQDFSCSF-RYUDHWBXSA-N 2 0 243.370 1.089 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+]C1CCC2(CC1)OCCO2 ZINC001331834080 968283432 /nfs/dbraw/zinc/28/34/32/968283432.db2.gz KWUHNPMXUVCKLC-NSHDSACASA-N 2 0 242.363 1.117 20 0 BDADRP [NH3+]CCc1nccn1-c1cccc2c1CC[C@H]2[NH3+] ZINC001166382275 968317587 /nfs/dbraw/zinc/31/75/87/968317587.db2.gz DOBFBZWVZGFAOO-GFCCVEGCSA-N 2 0 242.326 1.320 20 0 BDADRP Cc1ccc(C)c(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206464686 968323165 /nfs/dbraw/zinc/32/31/65/968323165.db2.gz RZNGUSAPZJSAPK-UONOGXRCSA-N 2 0 234.343 1.055 20 0 BDADRP [NH3+]CCC1CC[NH+](CC[C@H]2CCCC[NH2+]2)CC1 ZINC001206500210 968343743 /nfs/dbraw/zinc/34/37/43/968343743.db2.gz HYSQZACWWICZEZ-CQSZACIVSA-N 3 0 239.407 1.579 20 0 BDADRP [NH3+]CCC1CC[NH+](CC[C@@H]2CCCC[NH2+]2)CC1 ZINC001206500209 968344246 /nfs/dbraw/zinc/34/42/46/968344246.db2.gz HYSQZACWWICZEZ-AWEZNQCLSA-N 3 0 239.407 1.579 20 0 BDADRP CC[NH2+]CCN1CCCC[C@@](C)(C[NH3+])C1 ZINC001206541868 968366607 /nfs/dbraw/zinc/36/66/07/968366607.db2.gz MFIHXCSRGFJQIT-LBPRGKRZSA-N 2 0 213.369 1.047 20 0 BDADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1C[C@@H]2COC[C@H]12 ZINC001206537068 968362709 /nfs/dbraw/zinc/36/27/09/968362709.db2.gz HNGOOGSABBEIFK-HZSPNIEDSA-N 2 0 240.391 1.589 20 0 BDADRP CC[NH2+]CCN(C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206583381 968400754 /nfs/dbraw/zinc/40/07/54/968400754.db2.gz UFQQOBLOGLPDGP-ZDUSSCGKSA-N 2 0 227.396 1.448 20 0 BDADRP [NH3+]C[C@@H]1CCCCN(C[C@H]2CCCC[NH2+]2)C1 ZINC001206606549 968413560 /nfs/dbraw/zinc/41/35/60/968413560.db2.gz OYYYYJZAZBVSNO-QWHCGFSZSA-N 2 0 225.380 1.189 20 0 BDADRP [NH3+]C[C@H]1CCCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC001206606566 968413941 /nfs/dbraw/zinc/41/39/41/968413941.db2.gz PKZQKCJUICJTHR-CQSZACIVSA-N 2 0 239.407 1.437 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H]([NH2+]C[C@H](C)O)[C@H](C)C1 ZINC001251978143 968421488 /nfs/dbraw/zinc/42/14/88/968421488.db2.gz NMYLLKMHWZXZIE-GRYCIOLGSA-N 2 0 214.353 1.076 20 0 BDADRP Cc1ccc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c(N)n1 ZINC001206624624 968423417 /nfs/dbraw/zinc/42/34/17/968423417.db2.gz XOGHQZNGZFWYRZ-LBPRGKRZSA-N 2 0 248.374 1.533 20 0 BDADRP Nc1ncc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)s1 ZINC001206623494 968424104 /nfs/dbraw/zinc/42/41/04/968424104.db2.gz LYZQCGSKFGNZJP-VIFPVBQESA-N 2 0 240.376 1.286 20 0 BDADRP CSCCCN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000085696863 968427507 /nfs/dbraw/zinc/42/75/07/968427507.db2.gz DKBJEBFJMQIDQA-GFCCVEGCSA-N 2 0 228.405 1.910 20 0 BDADRP C[C@@H](Cc1ccno1)[NH2+]CC[C@H](C)[NH+](C)C ZINC001206838288 968491598 /nfs/dbraw/zinc/49/15/98/968491598.db2.gz NGYPOOKXDJJPOC-QWRGUYRKSA-N 2 0 225.336 1.535 20 0 BDADRP C[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1ncc2ccccn21 ZINC001207053296 968587337 /nfs/dbraw/zinc/58/73/37/968587337.db2.gz NXPSLNYDQOSVLX-STQMWFEESA-N 2 0 242.326 1.223 20 0 BDADRP CCCC[C@H](O)C[NH2+][C@H]1CC[C@@H]([NH+](C)C)CC1 ZINC001252123255 968610284 /nfs/dbraw/zinc/61/02/84/968610284.db2.gz QSWQSZVPKAPVTQ-MJBXVCDLSA-N 2 0 242.407 2.000 20 0 BDADRP Cc1cnc(C[NH+]2CCC3(C[NH+](C)C3)CC2)cn1 ZINC001207081803 968613109 /nfs/dbraw/zinc/61/31/09/968613109.db2.gz YWFDDQSAWUFTSQ-UHFFFAOYSA-N 2 0 246.358 1.313 20 0 BDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]CC(C)(C)O)C1 ZINC001252365499 968644777 /nfs/dbraw/zinc/64/47/77/968644777.db2.gz WNTUVAOKEIFNMH-BETUJISGSA-N 2 0 242.407 1.715 20 0 BDADRP C[C@H]1C[N@H+](CC(C)(C)C[NH+](C)C)CCCO1 ZINC001207276119 968714374 /nfs/dbraw/zinc/71/43/74/968714374.db2.gz UYAKQPJCPALDAG-LBPRGKRZSA-N 2 0 228.380 1.685 20 0 BDADRP CN(CC(C)(C)C[NH+](C)C)[C@H]1CC[N@H+](C)C1 ZINC001207286418 968717931 /nfs/dbraw/zinc/71/79/31/968717931.db2.gz RGDZBHTZKDKYRU-LBPRGKRZSA-N 2 0 227.396 1.210 20 0 BDADRP C[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)C[C@@H]1F ZINC001207391328 968747594 /nfs/dbraw/zinc/74/75/94/968747594.db2.gz FDSONSULSPDOIR-PWSUYJOCSA-N 2 0 214.328 1.618 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CCC[C@@]2(CCO2)C1 ZINC001207439413 968774218 /nfs/dbraw/zinc/77/42/18/968774218.db2.gz SPGYBBUOPHITJT-CYBMUJFWSA-N 2 0 224.348 1.241 20 0 BDADRP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](C[C@H]1CCCOC1)C2 ZINC001207470496 968789429 /nfs/dbraw/zinc/78/94/29/968789429.db2.gz RVUDYYQTJFFOAC-MGPQQGTHSA-N 2 0 238.375 1.297 20 0 BDADRP C[C@@H]1CC[C@@H](O)C[N@@H+]1CCC1CC[NH+](C)CC1 ZINC001207479404 968793290 /nfs/dbraw/zinc/79/32/90/968793290.db2.gz IBXUJABFSPSGAV-TZMCWYRMSA-N 2 0 240.391 1.564 20 0 BDADRP C[NH+]1CCC(CC[NH+]2CCC(C)(O)CC2)CC1 ZINC001207479977 968794673 /nfs/dbraw/zinc/79/46/73/968794673.db2.gz RBRWKSPXZZTYNP-UHFFFAOYSA-N 2 0 240.391 1.565 20 0 BDADRP COC(C[N@H+](C)CCC1CC[NH+](C)CC1)OC ZINC001207487102 968798149 /nfs/dbraw/zinc/79/81/49/968798149.db2.gz QCCWHZVXCXAZNZ-UHFFFAOYSA-N 2 0 244.379 1.269 20 0 BDADRP C[NH+]1CCC(CC[NH+]2CC3(CC(O)C3)C2)CC1 ZINC001207480197 968798768 /nfs/dbraw/zinc/79/87/68/968798768.db2.gz WPEPNYAISBDKII-UHFFFAOYSA-N 2 0 238.375 1.175 20 0 BDADRP COC[C@H]1CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000829276037 968830532 /nfs/dbraw/zinc/83/05/32/968830532.db2.gz RUPCYTZOKCPZEY-OLZOCXBDSA-N 2 0 226.364 1.344 20 0 BDADRP C[N@H+]1C[C@@H]2C[NH+](C[C@H]3C[C@H]4C=C[C@@H]3C4)C[C@@H]2C1 ZINC001207629913 968845560 /nfs/dbraw/zinc/84/55/60/968845560.db2.gz OWLMHHHXZNVKBJ-VYDRJRHOSA-N 2 0 232.371 1.692 20 0 BDADRP CCN1CCC[C@H]([NH2+]C2CC(CCO)C2)C1 ZINC001207752523 968875710 /nfs/dbraw/zinc/87/57/10/968875710.db2.gz BWGOLYVEMRGRHL-CPCZMJQVSA-N 2 0 226.364 1.221 20 0 BDADRP CC[N@H+](CCC[NH+](C)C)CC1(C)COC1 ZINC001207800402 968889405 /nfs/dbraw/zinc/88/94/05/968889405.db2.gz QMFPBBWBEHUWAM-UHFFFAOYSA-N 2 0 214.353 1.297 20 0 BDADRP CCOc1cc[nH+]c(NC[C@H]2C[NH2+][C@H](C)C2)c1 ZINC001155101259 968893523 /nfs/dbraw/zinc/89/35/23/968893523.db2.gz SEQQIFYQQCBQEE-GHMZBOCLSA-N 2 0 235.331 1.890 20 0 BDADRP C[NH+](C)Cc1cccc(C2=CC[N@H+](C)CC2)n1 ZINC001241318088 968975977 /nfs/dbraw/zinc/97/59/77/968975977.db2.gz XGPZGQDVESCCPI-UHFFFAOYSA-N 2 0 231.343 1.862 20 0 BDADRP CCC[C@@H](O)C[NH2+]C(C)(C)CC[NH+](C)C ZINC001252804892 968993065 /nfs/dbraw/zinc/99/30/65/968993065.db2.gz ZFACNHPSGBRQAT-LLVKDONJSA-N 2 0 216.369 1.467 20 0 BDADRP C[C@@H]1C[N@H+](CC2(C)CC[NH+](C)CC2)CCO1 ZINC001208108359 968999480 /nfs/dbraw/zinc/99/94/80/968999480.db2.gz UMFZNWCPBYAWOM-GFCCVEGCSA-N 2 0 226.364 1.439 20 0 BDADRP C[C@@H]1COCC[N@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208106550 969001382 /nfs/dbraw/zinc/00/13/82/969001382.db2.gz GOAZKWAHEUMLOR-ZDUSSCGKSA-N 2 0 240.391 1.687 20 0 BDADRP CC[NH+](CC)C[C@H](O)C[N@H+](C)C[C@H]1CC1(C)C ZINC001253187799 969101040 /nfs/dbraw/zinc/10/10/40/969101040.db2.gz JFHMDJFVOLZXDG-CHWSQXEVSA-N 2 0 242.407 1.667 20 0 BDADRP C[NH+](C)CC1(C[NH+]2CC=CC2)CCCC1 ZINC001208185233 969116408 /nfs/dbraw/zinc/11/64/08/969116408.db2.gz XYMZYRBTDKGAML-UHFFFAOYSA-N 2 0 208.349 1.980 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2C[C@H](O)CC[C@H]2C)CC1 ZINC001208592580 969147474 /nfs/dbraw/zinc/14/74/74/969147474.db2.gz KIFPJFWGESJYSH-TZMCWYRMSA-N 2 0 240.391 1.564 20 0 BDADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]CC1CCCCC1 ZINC001253384391 969149255 /nfs/dbraw/zinc/14/92/55/969149255.db2.gz RECDZBRZIBRQHM-ZDUSSCGKSA-N 2 0 242.407 1.905 20 0 BDADRP CC[NH+]1CCC(C[N@H+](C2CC2)C2COC2)CC1 ZINC001208597741 969150194 /nfs/dbraw/zinc/15/01/94/969150194.db2.gz MLZJQNIFPAVBTE-UHFFFAOYSA-N 2 0 238.375 1.582 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CCCC[C@H]2CO)CC1 ZINC001208595142 969152517 /nfs/dbraw/zinc/15/25/17/969152517.db2.gz QGCNUMDXSAXBQV-AWEZNQCLSA-N 2 0 240.391 1.565 20 0 BDADRP C[N@@H+]1CCC[C@@H](CN2CC[NH+](C3CC3)CC2)C1 ZINC001208604070 969154478 /nfs/dbraw/zinc/15/44/78/969154478.db2.gz KTCVANGHFJTIFL-CYBMUJFWSA-N 2 0 237.391 1.108 20 0 BDADRP COC[C@H]1CC[N@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208606889 969160667 /nfs/dbraw/zinc/16/06/67/969160667.db2.gz ISJKHNQUTYOZEV-STQMWFEESA-N 2 0 226.364 1.297 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccnn2C)CCC[C@H]1C[NH3+] ZINC001205991351 969204873 /nfs/dbraw/zinc/20/48/73/969204873.db2.gz AEOBVJBARTWUPG-RYUDHWBXSA-N 2 0 236.363 1.227 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccccn2)CCC[C@H]1C[NH3+] ZINC001205993142 969221839 /nfs/dbraw/zinc/22/18/39/969221839.db2.gz HIFURAUWABYOMJ-STQMWFEESA-N 2 0 233.359 1.888 20 0 BDADRP C[N@H+]1CC=C(Nc2cc[nH+]c(CO)c2)CC1 ZINC001208795116 969245803 /nfs/dbraw/zinc/24/58/03/969245803.db2.gz WTPLSLHJWCMQQT-UHFFFAOYSA-N 2 0 219.288 1.205 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccc(=O)[nH]c2)CCC[C@H]1C[NH3+] ZINC001205994853 969246730 /nfs/dbraw/zinc/24/67/30/969246730.db2.gz MNQSUPRMGVJSQV-YPMHNXCESA-N 2 0 249.358 1.594 20 0 BDADRP Cc1cnc(C[NH3+])n1-c1cccc2c1C[NH2+]CC2 ZINC001169028891 969348469 /nfs/dbraw/zinc/34/84/69/969348469.db2.gz KELGKBNAVJOJOK-UHFFFAOYSA-N 2 0 242.326 1.285 20 0 BDADRP C[NH+]1[C@@H]2CC[C@H]1C[C@H](NC[C@H]1CC[N@@H+](C)C1)C2 ZINC001169095743 969383360 /nfs/dbraw/zinc/38/33/60/969383360.db2.gz SKOIKEPDOLOTMF-SYQHCUMBSA-N 3 0 237.391 1.153 20 0 BDADRP CC(C)[C@@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169079180 969396167 /nfs/dbraw/zinc/39/61/67/969396167.db2.gz JIPSHRNSPQVNPT-FVCCEPFGSA-N 2 0 226.364 1.218 20 0 BDADRP C[C@H]1OCC[C@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169078826 969397064 /nfs/dbraw/zinc/39/70/64/969397064.db2.gz HSNPCPNFRQDGOP-XHJNMGKDSA-N 2 0 238.375 1.626 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCC[C@H]1O)C2 ZINC001169080324 969402601 /nfs/dbraw/zinc/40/26/01/969402601.db2.gz MNNKQLLBQOYZIH-NZEXEKPDSA-N 2 0 224.348 1.115 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1ccnc1C[NH3+])C2 ZINC001169080363 969404613 /nfs/dbraw/zinc/40/46/13/969404613.db2.gz MUMPJPLNSZNPRW-URLYPYJESA-N 2 0 220.320 1.140 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](n1ccnc1CC[NH3+])C2 ZINC001169091399 969409631 /nfs/dbraw/zinc/40/96/31/969409631.db2.gz QCKYPHIDQOOIDY-ZSBIGDGJSA-N 2 0 234.347 1.182 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCn1cccc1)C2 ZINC001169091274 969410085 /nfs/dbraw/zinc/41/00/85/969410085.db2.gz QAUAOHWVCAMADG-BTTYYORXSA-N 2 0 233.359 1.703 20 0 BDADRP CO[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169125962 969422969 /nfs/dbraw/zinc/42/29/69/969422969.db2.gz OHWXEICBXIAGAY-MROQNXINSA-N 2 0 224.348 1.332 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC(C)(C)C1)C2 ZINC001169126586 969431108 /nfs/dbraw/zinc/43/11/08/969431108.db2.gz WVWGBVIVGBQBHP-GDNZZTSVSA-N 2 0 208.349 1.953 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC(C)(C)C1)C2 ZINC001169126587 969432948 /nfs/dbraw/zinc/43/29/48/969432948.db2.gz WVWGBVIVGBQBHP-ZSBIGDGJSA-N 2 0 208.349 1.953 20 0 BDADRP C[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169126784 969433794 /nfs/dbraw/zinc/43/37/94/969433794.db2.gz XPKOHCMWHSJTIP-FVCCEPFGSA-N 2 0 208.349 1.953 20 0 BDADRP C[C@@H]1C[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[C@@H]1O ZINC001169126721 969434091 /nfs/dbraw/zinc/43/40/91/969434091.db2.gz WZGBSMVVZCKLGF-DGTMBMJNSA-N 2 0 238.375 1.314 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(CO)CC1)C2 ZINC001169131619 969440695 /nfs/dbraw/zinc/44/06/95/969440695.db2.gz WNHNXJJQFPIEBO-WDNDVIMCSA-N 2 0 238.375 1.316 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1cccc1CC[NH3+])C2 ZINC001169107180 969443782 /nfs/dbraw/zinc/44/37/82/969443782.db2.gz FTVXYFGXNBCFKA-WDNDVIMCSA-N 2 0 233.359 1.787 20 0 BDADRP CN1CC[C@H]2C[N@@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C[C@H]21 ZINC001169148447 969464242 /nfs/dbraw/zinc/46/42/42/969464242.db2.gz ZFKTZPOHGJZLSO-SBJFKYEJSA-N 2 0 249.402 1.248 20 0 BDADRP C[N@@H+]([C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C)[C@H]1CCCOC1 ZINC001169160888 969477906 /nfs/dbraw/zinc/47/79/06/969477906.db2.gz MGHIVTCZMGFTMD-RFQIPJPRSA-N 2 0 238.375 1.722 20 0 BDADRP COC(C)(C)CC[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001209410395 969479235 /nfs/dbraw/zinc/47/92/35/969479235.db2.gz OHAOKAOFFZMCOW-TZMCWYRMSA-N 2 0 240.391 1.685 20 0 BDADRP CC[N@@H+]1C[C@@H]2C[C@H]1CN2[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169161132 969479575 /nfs/dbraw/zinc/47/95/75/969479575.db2.gz OMHKKHCJGWUWSU-AICCOOGYSA-N 2 0 249.402 1.390 20 0 BDADRP CCN1CCC([NH2+]C(C)(C)COC)CC1 ZINC001169224256 969494179 /nfs/dbraw/zinc/49/41/79/969494179.db2.gz GTKAIOWBZOIBDR-UHFFFAOYSA-N 2 0 214.353 1.485 20 0 BDADRP Cc1n[nH]cc1C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001209557802 969543581 /nfs/dbraw/zinc/54/35/81/969543581.db2.gz AHFBGBXRHUHVPY-UHFFFAOYSA-N 2 0 234.347 1.246 20 0 BDADRP [NH3+]Cc1cnnn1-c1ccc([C@H]2CCC[NH2+]2)cc1 ZINC001169309851 969587324 /nfs/dbraw/zinc/58/73/24/969587324.db2.gz MAXWHKKGDHRKOX-CYBMUJFWSA-N 2 0 243.314 1.151 20 0 BDADRP C[N@@H+]1CCC[C@@H]2CN(Cc3c[nH+]ccc3N)C[C@@H]21 ZINC001209733021 969592188 /nfs/dbraw/zinc/59/21/88/969592188.db2.gz OYOWIZDCTCEUOQ-RISCZKNCSA-N 2 0 246.358 1.020 20 0 BDADRP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+]([C@@H]1CCCOC1)C2 ZINC001254388583 969607979 /nfs/dbraw/zinc/60/79/79/969607979.db2.gz FDARQYYJZAYSJU-JHJVBQTASA-N 2 0 224.348 1.049 20 0 BDADRP CCN(CC)C(=O)C[C@H](C)N1CCC[C@@H]([NH3+])C1 ZINC001169438293 969632499 /nfs/dbraw/zinc/63/24/99/969632499.db2.gz USLVEAOBPDHQQA-NWDGAFQWSA-N 2 0 241.379 1.057 20 0 BDADRP Cc1cc(C[NH3+])nn1[C@H]1CCC[N@@H+](C)CC1 ZINC001254499938 969657244 /nfs/dbraw/zinc/65/72/44/969657244.db2.gz QKBZQNFDNCVKGG-LBPRGKRZSA-N 2 0 222.336 1.307 20 0 BDADRP Cc1ncn([C@H]2CCC[N@@H+](C)CC2)c1CC[NH3+] ZINC001254500133 969658572 /nfs/dbraw/zinc/65/85/72/969658572.db2.gz FUIHQUFJMDZNQT-LBPRGKRZSA-N 2 0 236.363 1.350 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+]C2COC(C)(C)OC2)CC1 ZINC001254506409 969670895 /nfs/dbraw/zinc/67/08/95/969670895.db2.gz RTXMYQQKMRMXSR-LLVKDONJSA-N 2 0 242.363 1.212 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+]CCc2cncs2)CC1 ZINC001254504486 969676567 /nfs/dbraw/zinc/67/65/67/969676567.db2.gz BYTDBCGBWXBBMH-NSHDSACASA-N 2 0 239.388 1.760 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](C)N1Cc1cccc(C[NH3+])c1 ZINC001209885924 969683067 /nfs/dbraw/zinc/68/30/67/969683067.db2.gz KFDDTUNPUGEOSL-TXEJJXNPSA-N 2 0 233.359 1.328 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+][C@]2(C)CCCOC2)CC1 ZINC001254514533 969690556 /nfs/dbraw/zinc/69/05/56/969690556.db2.gz MCBIJFVSBLLFCD-QWHCGFSZSA-N 2 0 226.364 1.629 20 0 BDADRP CN(CCC[NH+](C)C)[C@@H]1CCC[N@H+](C)CC1 ZINC001254515662 969691972 /nfs/dbraw/zinc/69/19/72/969691972.db2.gz ANFWSZGCQKNVCY-CYBMUJFWSA-N 2 0 227.396 1.354 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH+]2CC[C@]3(CCOC3)C2)CC1 ZINC001254518519 969696967 /nfs/dbraw/zinc/69/69/67/969696967.db2.gz BVDXJATUMKLJJR-KGLIPLIRSA-N 2 0 238.375 1.583 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH+]2CCC[C@H]2C(C)(C)O)CC1 ZINC001254529835 969730340 /nfs/dbraw/zinc/73/03/40/969730340.db2.gz RKWBQGLGVQHSEJ-OLZOCXBDSA-N 2 0 240.391 1.706 20 0 BDADRP CC[N@@H+]1CCN([C@@H]2CCC[NH+](C)CC2)[C@H](C)C1 ZINC001254531168 969732427 /nfs/dbraw/zinc/73/24/27/969732427.db2.gz FNQAIIHYPJCOTJ-ZIAGYGMSSA-N 2 0 239.407 1.497 20 0 BDADRP CN([C@H]1CC[N@H+](C)C1)[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254859130 969810764 /nfs/dbraw/zinc/81/07/64/969810764.db2.gz BVDIFLXHDVKWDS-UONOGXRCSA-N 2 0 237.391 1.107 20 0 BDADRP C[NH+](C)CCC(C)(C)Nc1cnc(C[NH3+])nc1 ZINC001169717846 969832255 /nfs/dbraw/zinc/83/22/55/969832255.db2.gz GOUPRHPAKQMJOW-UHFFFAOYSA-N 2 0 237.351 1.078 20 0 BDADRP C[NH+](C)Cc1ccc(-n2ccc(C[NH3+])c2)nc1 ZINC001169723733 969833629 /nfs/dbraw/zinc/83/36/29/969833629.db2.gz ZVJULAWKUASTSS-UHFFFAOYSA-N 2 0 230.315 1.393 20 0 BDADRP CC[NH+]1C[C@H]2C[NH+](C3CCOCC3)C[C@@H]2C1 ZINC001255045155 969864067 /nfs/dbraw/zinc/86/40/67/969864067.db2.gz ATMNELBQTYGMGV-RYUDHWBXSA-N 2 0 224.348 1.049 20 0 BDADRP F[C@@H]1C[NH2+]CCN(Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC001210610679 969980715 /nfs/dbraw/zinc/98/07/15/969980715.db2.gz NSJQVQYPXAIPIU-CQSZACIVSA-N 2 0 249.333 1.033 20 0 BDADRP Nc1c[nH+]cn1C1=CC[C@H]([NH+]2CCCC2)CC1 ZINC001210706339 969997053 /nfs/dbraw/zinc/99/70/53/969997053.db2.gz LAWGNCQFWBSYEZ-NSHDSACASA-N 2 0 232.331 1.955 20 0 BDADRP Nc1c[nH+]cn1C1=CC[C@@H]([NH+]2CCCC2)CC1 ZINC001210706338 970000475 /nfs/dbraw/zinc/00/04/75/970000475.db2.gz LAWGNCQFWBSYEZ-LLVKDONJSA-N 2 0 232.331 1.955 20 0 BDADRP [NH3+]Cc1ccccc1C[NH2+][C@@H]1CCSC1 ZINC001255275765 970026396 /nfs/dbraw/zinc/02/63/96/970026396.db2.gz BAWAVBMESZJSFP-GFCCVEGCSA-N 2 0 222.357 1.740 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+]([C@@H]1CCSC1)CC2 ZINC001255292563 970051422 /nfs/dbraw/zinc/05/14/22/970051422.db2.gz GLXRXFXZPFWIHK-LLVKDONJSA-N 2 0 226.389 1.520 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+]([C@@H]3CCSC3)C2)C1 ZINC001255291719 970053818 /nfs/dbraw/zinc/05/38/18/970053818.db2.gz YCTUPOAODLFPAV-NEPJUHHUSA-N 2 0 226.389 1.520 20 0 BDADRP CCCC[C@@H](C)[NH2+]CCN(C)CC[NH3+] ZINC001255315461 970083916 /nfs/dbraw/zinc/08/39/16/970083916.db2.gz LYQFGTLECNEASP-LLVKDONJSA-N 2 0 201.358 1.045 20 0 BDADRP CCCC[C@H](C)[NH2+]CCN1CCC[N@H+](C)CC1 ZINC001255314892 970087030 /nfs/dbraw/zinc/08/70/30/970087030.db2.gz XDVBGPBQNRETMH-AWEZNQCLSA-N 2 0 241.423 1.792 20 0 BDADRP C[N@@H+]1CC[C@@H](Nc2cccc(F)c2C[NH3+])C1 ZINC001255412331 970131174 /nfs/dbraw/zinc/13/11/74/970131174.db2.gz NEHQXAWGKQKQJL-SECBINFHSA-N 2 0 223.295 1.400 20 0 BDADRP C[NH2+]Cc1cccc(N[C@H]2CC[N@H+](C)C2)c1 ZINC001255438423 970171823 /nfs/dbraw/zinc/17/18/23/970171823.db2.gz LVQLFEVUMKNPIC-ZDUSSCGKSA-N 2 0 219.332 1.522 20 0 BDADRP C[N@H+](C1CC1)C1CCN([C@@H]2CC[NH+](C)C2)CC1 ZINC001255445347 970181762 /nfs/dbraw/zinc/18/17/62/970181762.db2.gz UQFJJFOMCKXKPR-CQSZACIVSA-N 2 0 237.391 1.249 20 0 BDADRP C[C@@H]([NH3+])c1ccn([C@H]2CCC[N@H+](C)C2)n1 ZINC001255471836 970193647 /nfs/dbraw/zinc/19/36/47/970193647.db2.gz HUYBLKQSSORFEY-ZJUUUORDSA-N 2 0 208.309 1.170 20 0 BDADRP CC[NH+]1CCC(N(C)[C@H]2CCC[N@H+](C)C2)CC1 ZINC001255486669 970232557 /nfs/dbraw/zinc/23/25/57/970232557.db2.gz NKDRZORIDGWVOA-AWEZNQCLSA-N 2 0 239.407 1.497 20 0 BDADRP C[N@@H+]1CCC[C@H](n2ccnc2[C@H]2CCC[NH2+]C2)C1 ZINC001255490385 970241312 /nfs/dbraw/zinc/24/13/12/970241312.db2.gz VGCDZLJLVKEJHP-STQMWFEESA-N 2 0 248.374 1.617 20 0 BDADRP COC[C@H](C)[NH+]1CCC([NH3+])(c2ccccc2)CC1 ZINC001255565550 970353489 /nfs/dbraw/zinc/35/34/89/970353489.db2.gz SWICXMWWPGNTKH-ZDUSSCGKSA-N 2 0 248.370 1.971 20 0 BDADRP C[C@@H]1CC[C@H]([NH+]2CCN(CC[NH+](C)C)CC2)C1 ZINC001170125331 970374732 /nfs/dbraw/zinc/37/47/32/970374732.db2.gz KCERQARRUPJYGL-KGLIPLIRSA-N 2 0 239.407 1.354 20 0 BDADRP COC[C@H](C)[N@@H+]1C[C@H]2CCCN(C)[C@H]2C1 ZINC001255582993 970388412 /nfs/dbraw/zinc/38/84/12/970388412.db2.gz GMXSDQIUXLMDHH-TUAOUCFPSA-N 2 0 212.337 1.047 20 0 BDADRP C[C@H]1CC[C@@H](N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC001170145694 970435117 /nfs/dbraw/zinc/43/51/17/970435117.db2.gz VVWKHJVEAQDVSL-UONOGXRCSA-N 2 0 241.423 1.600 20 0 BDADRP CN(CC[NH3+])CC[NH2+]C1CCCCCC1 ZINC001255882886 970544637 /nfs/dbraw/zinc/54/46/37/970544637.db2.gz BUKGKOBRCBXBBN-UHFFFAOYSA-N 2 0 213.369 1.189 20 0 BDADRP CC[C@H](COC)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000400316690 970572556 /nfs/dbraw/zinc/57/25/56/970572556.db2.gz AEDNEPZRDPKTNY-CMPLNLGQSA-N 2 0 214.353 1.389 20 0 BDADRP CC[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])CCO1 ZINC001170204893 970573353 /nfs/dbraw/zinc/57/33/53/970573353.db2.gz TUVKCTMDDXTJAA-NOOOWODRSA-N 2 0 212.337 1.413 20 0 BDADRP C[C@H]([NH2+]Cc1ccccn1)C1CC[NH2+]CC1 ZINC000400332232 970578090 /nfs/dbraw/zinc/57/80/90/970578090.db2.gz CGNUJYVIIANYLJ-NSHDSACASA-N 2 0 219.332 1.559 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]CCOC(C)=O ZINC001255955310 970588856 /nfs/dbraw/zinc/58/88/56/970588856.db2.gz QMQDHUGEEUWBCC-NSHDSACASA-N 2 0 230.352 1.260 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N1CC[C@H]([NH+](C)C)C1 ZINC001255955474 970590789 /nfs/dbraw/zinc/59/07/89/970590789.db2.gz UQJMTMWUZKYWPY-KBPBESRZSA-N 2 0 241.423 1.743 20 0 BDADRP C[C@@H]([NH2+]C1CCN(C)CC1)C1CC[NH2+]CC1 ZINC000400474680 970594133 /nfs/dbraw/zinc/59/41/33/970594133.db2.gz ZHRMWFBRBHFVQZ-LLVKDONJSA-N 2 0 225.380 1.058 20 0 BDADRP FC(F)(F)[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000304455872 970595235 /nfs/dbraw/zinc/59/52/35/970595235.db2.gz WXVVQMJOKWLPBM-JTQLQIEISA-N 2 0 236.281 1.870 20 0 BDADRP C[C@@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)[NH+]1CCCCC1 ZINC000400559328 970606030 /nfs/dbraw/zinc/60/60/30/970606030.db2.gz HHVFZHVXUMJGRW-IHRRRGAJSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H]([NH3+])c1nccn1C1CC[NH+](C2CC2)CC1 ZINC001256065930 970630540 /nfs/dbraw/zinc/63/05/40/970630540.db2.gz KLQDHDKKJAJFED-SNVBAGLBSA-N 2 0 234.347 1.702 20 0 BDADRP Cc1cnc(C[NH3+])n1C1CC[NH+](C2CC2)CC1 ZINC001256069138 970637222 /nfs/dbraw/zinc/63/72/22/970637222.db2.gz RWNJRDKVMZZHMO-UHFFFAOYSA-N 2 0 234.347 1.450 20 0 BDADRP CC[C@@H](C)C[C@H]([NH3+])C(=O)NC1CCC([NH3+])CC1 ZINC000400986571 970651810 /nfs/dbraw/zinc/65/18/10/970651810.db2.gz UPBDZZKTECLAOT-YYJSSNLHSA-N 2 0 241.379 1.136 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C(F)F ZINC000401093707 970657561 /nfs/dbraw/zinc/65/75/61/970657561.db2.gz WHRHTSYMMRAYFV-SGIHWFKDSA-N 2 0 218.291 1.618 20 0 BDADRP [NH3+]C[C@H](O)C[NH2+][C@H]1CCC[C@H](c2ccccc2)C1 ZINC001256106073 970659179 /nfs/dbraw/zinc/65/91/79/970659179.db2.gz MNWPFKDTKVVVTD-KKUMJFAQSA-N 2 0 248.370 1.622 20 0 BDADRP CCCC[N@H+](C)CCCNC1CC[NH+](C)CC1 ZINC001256194677 970683994 /nfs/dbraw/zinc/68/39/94/970683994.db2.gz LMTIPFJWGKTILY-UHFFFAOYSA-N 2 0 241.423 1.792 20 0 BDADRP CN1CCC([NH2+]CC23CC[NH+](CC2)CC3)CC1 ZINC001256197347 970688560 /nfs/dbraw/zinc/68/85/60/970688560.db2.gz HFLUWCIYNPDUOC-UHFFFAOYSA-N 2 0 237.391 1.156 20 0 BDADRP C[NH+]1CCC([NH+]2CCC3(CCOC3)CC2)CC1 ZINC001256202590 970706151 /nfs/dbraw/zinc/70/61/51/970706151.db2.gz IIAOFCFAYRRCFM-UHFFFAOYSA-N 2 0 238.375 1.583 20 0 BDADRP C[NH2+]Cc1cccc(NC2CC[NH+](C)CC2)c1 ZINC001256208999 970707819 /nfs/dbraw/zinc/70/78/19/970707819.db2.gz QBFURTPHCWGVFF-UHFFFAOYSA-N 2 0 233.359 1.912 20 0 BDADRP CN1CCC([N@@H+]2CC[C@@H](c3ccncc3)C2)CC1 ZINC001256207278 970710514 /nfs/dbraw/zinc/71/05/14/970710514.db2.gz FWTMFOVWVXEFKQ-CQSZACIVSA-N 2 0 245.370 1.965 20 0 BDADRP CS[C@@H](C)CC[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222528645 972547768 /nfs/dbraw/zinc/54/77/68/972547768.db2.gz ZUCVVXBOZOBTPY-JTQLQIEISA-N 2 0 234.384 1.891 20 0 BDADRP CS[C@H](C)CC[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222528646 972549299 /nfs/dbraw/zinc/54/92/99/972549299.db2.gz ZUCVVXBOZOBTPY-SNVBAGLBSA-N 2 0 234.384 1.891 20 0 BDADRP Cc1ccc(C[NH+]2CCC(F)(C[NH3+])CC2)[nH]1 ZINC001222532898 972554414 /nfs/dbraw/zinc/55/44/14/972554414.db2.gz PIQCGXBICNDVLJ-UHFFFAOYSA-N 2 0 225.311 1.586 20 0 BDADRP Nc1cccc(C[NH+]2CCC(F)(C[NH3+])CC2)c1 ZINC001222548664 972561097 /nfs/dbraw/zinc/56/10/97/972561097.db2.gz XHDFFSIHXSUXDL-UHFFFAOYSA-N 2 0 237.322 1.532 20 0 BDADRP [NH3+]CCCCN1Cc2ccccc2[C@@H]2C[NH2+]C[C@@H]21 ZINC001222558467 972568573 /nfs/dbraw/zinc/56/85/73/972568573.db2.gz LOMBPLVSDDTFFY-GJZGRUSLSA-N 2 0 245.370 1.297 20 0 BDADRP C[C@H]1C[N@@H+]([C@H]2CCO[C@H](C)C2)C[C@H]1C[NH3+] ZINC001246542523 972584927 /nfs/dbraw/zinc/58/49/27/972584927.db2.gz QBENWURXWAKFGV-QCNOEVLYSA-N 2 0 212.337 1.081 20 0 BDADRP C[C@@H]([NH3+])CN1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222596070 972599903 /nfs/dbraw/zinc/59/99/03/972599903.db2.gz PKCUZBYJHPZBJU-OCCSQVGLSA-N 2 0 245.370 1.023 20 0 BDADRP CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H]([NH3+])CC2)CCO1 ZINC001246543607 972601195 /nfs/dbraw/zinc/60/11/95/972601195.db2.gz UYSXYBCGUWJJJO-FRRDWIJNSA-N 2 0 226.364 1.757 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2CCC[C@H]([NH3+])CC2)CC1 ZINC001246544931 972607471 /nfs/dbraw/zinc/60/74/71/972607471.db2.gz IIMPZRKJLXTAHH-HSBZDZAISA-N 3 0 239.407 1.672 20 0 BDADRP C[C@H](Cc1ccncc1)[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001246546758 972650839 /nfs/dbraw/zinc/65/08/39/972650839.db2.gz NKGJSTIHSGRWQH-OCCSQVGLSA-N 2 0 233.359 1.826 20 0 BDADRP OC[C@H]1CCCCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000125139491 972665416 /nfs/dbraw/zinc/66/54/16/972665416.db2.gz JRCSPFCDEYIWIL-CHWSQXEVSA-N 2 0 226.364 1.223 20 0 BDADRP CC[C@@H]1C[C@@H](N2CCC[C@@H]([NH3+])CC2)CC[NH2+]1 ZINC001246548073 972677438 /nfs/dbraw/zinc/67/74/38/972677438.db2.gz QOTPZVITMYTQLG-UPJWGTAASA-N 2 0 225.380 1.330 20 0 BDADRP CC[N@@H+]1CCC[C@H](CN[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC001327710483 972710765 /nfs/dbraw/zinc/71/07/65/972710765.db2.gz GIGZFWGEWTXHGL-MGPQQGTHSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@@H]1CCN([C@H]2CCCC[NH2+]C2)C[C@@H]1C[NH3+] ZINC001246552878 972737626 /nfs/dbraw/zinc/73/76/26/972737626.db2.gz PRPPTWOCEMTGGR-AGIUHOORSA-N 2 0 225.380 1.045 20 0 BDADRP CC[C@H]1CC(N2CC[C@@H]([NH3+])[C@H]2C)C[C@H](CC)[NH2+]1 ZINC001246552722 972738416 /nfs/dbraw/zinc/73/84/16/972738416.db2.gz ZDPMWUSZOCWIPD-OWTLIXCDSA-N 2 0 239.407 1.717 20 0 BDADRP [NH3+]C[C@H]1C[N@@H+]([C@@H]2CCCOCC2)CCC1(F)F ZINC001246553712 972743705 /nfs/dbraw/zinc/74/37/05/972743705.db2.gz BXTBTPLJROKTBQ-WDEREUQCSA-N 2 0 248.317 1.471 20 0 BDADRP C[NH2+][C@@H](C)CC[NH2+][C@H](COC)CC(C)C ZINC001327838380 972755354 /nfs/dbraw/zinc/75/53/54/972755354.db2.gz GHWYAIGLIIKIPT-RYUDHWBXSA-N 2 0 216.369 1.635 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H](C)[C@@](C)(O)C2)CC[NH2+]1 ZINC001246566036 972807251 /nfs/dbraw/zinc/80/72/51/972807251.db2.gz RJPDQIQJFHSFCG-LPWJVIDDSA-N 2 0 226.364 1.220 20 0 BDADRP C[C@@H]1CN([C@H]2CCC[NH2+]C2)CCC[C@@H]1C[NH3+] ZINC001246567393 972818341 /nfs/dbraw/zinc/81/83/41/972818341.db2.gz KSKRDEMTNJDAHI-UPJWGTAASA-N 2 0 225.380 1.045 20 0 BDADRP C[NH2+]C1CCC([N@@H+]2CC[C@@H](C)[C@@H](N)C2)CC1 ZINC001246566867 972819452 /nfs/dbraw/zinc/81/94/52/972819452.db2.gz JOKWJAKSWIMPOV-XVSSEFHLSA-N 2 0 225.380 1.186 20 0 BDADRP CN1CC[C@@H]([N@@H+]2CCC[C@](C)(C[NH3+])CC2)C1 ZINC001246571326 972849711 /nfs/dbraw/zinc/84/97/11/972849711.db2.gz BEZMXSIUPLVSPE-OLZOCXBDSA-N 2 0 225.380 1.141 20 0 BDADRP O[C@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@@H]1F ZINC001246572911 972860690 /nfs/dbraw/zinc/86/06/90/972860690.db2.gz DPDGYIHCEKHQEF-RSMQCKGYSA-N 2 0 242.338 1.064 20 0 BDADRP O[C@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@H]1F ZINC001246572865 972861146 /nfs/dbraw/zinc/86/11/46/972861146.db2.gz DPDGYIHCEKHQEF-KTCIRNNBSA-N 2 0 242.338 1.064 20 0 BDADRP O[C@@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@H]1F ZINC001246572889 972862886 /nfs/dbraw/zinc/86/28/86/972862886.db2.gz DPDGYIHCEKHQEF-NRUFJFEESA-N 2 0 242.338 1.064 20 0 BDADRP CC(C)[NH+]1CCC(N2C[C@@H]([NH3+])C[C@H](F)C2)CC1 ZINC001246577080 972887581 /nfs/dbraw/zinc/88/75/81/972887581.db2.gz QJEODMRZJCCZCU-RYUDHWBXSA-N 2 0 243.370 1.230 20 0 BDADRP C[C@H]1C[C@H]([N@@H+]2CCC[C@](C)(C[NH3+])CC2)CC[NH2+]1 ZINC001246579276 972919447 /nfs/dbraw/zinc/91/94/47/972919447.db2.gz UAQNBBQHRXTQQA-MJBXVCDLSA-N 3 0 239.407 1.578 20 0 BDADRP C[C@H]1C[C@@H](CF)[N@@H+](C2CC[NH2+]CC2)C1 ZINC001246580884 972936806 /nfs/dbraw/zinc/93/68/06/972936806.db2.gz OCAMGUIZZPWAKF-ONGXEEELSA-N 2 0 200.301 1.418 20 0 BDADRP C[C@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[C@H]1O ZINC001246581192 972940319 /nfs/dbraw/zinc/94/03/19/972940319.db2.gz YFNQYHPLOJOHJC-BEUHCMRWSA-N 2 0 238.375 1.362 20 0 BDADRP CC1(C)C[C@@H](N2CCCC[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC001246581958 972944409 /nfs/dbraw/zinc/94/44/09/972944409.db2.gz LRZIFFKFDJWGQI-STQMWFEESA-N 2 0 239.407 1.578 20 0 BDADRP [NH3+]C[C@@H]1CCCC[N@@H+](C2C[C@@H]3C=C[C@H](C2)O3)C1 ZINC001246581345 972946144 /nfs/dbraw/zinc/94/61/44/972946144.db2.gz JEBXRSMYDNDRSW-FUDCBSFHSA-N 2 0 236.359 1.533 20 0 BDADRP C[C@H]1C[C@@H]([N@@H+]2CCCC[C@H](C[NH3+])C2)CCO1 ZINC001246584221 972957627 /nfs/dbraw/zinc/95/76/27/972957627.db2.gz TWZWUSTYZDPACN-XQQFMLRXSA-N 2 0 226.364 1.615 20 0 BDADRP C[C@@H]1CC[C@@H](N2CCCC[C@](F)(C[NH3+])C2)C[NH2+]1 ZINC001246584543 972961525 /nfs/dbraw/zinc/96/15/25/972961525.db2.gz XIBBUNOHRGKGEE-UPJWGTAASA-N 2 0 243.370 1.280 20 0 BDADRP CC[C@H]1C[C@H](N2CCCC[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246585660 972966725 /nfs/dbraw/zinc/96/67/25/972966725.db2.gz HNQYGYQFOHOCKY-RWMBFGLXSA-N 2 0 225.380 1.330 20 0 BDADRP C[C@@H]1CC[C@H](N2CCCC[C@](F)(C[NH3+])C2)C[NH2+]1 ZINC001246584535 972966767 /nfs/dbraw/zinc/96/67/67/972966767.db2.gz XIBBUNOHRGKGEE-AGIUHOORSA-N 2 0 243.370 1.280 20 0 BDADRP CCC[NH+]1CCC(N2C[C@@H]([NH3+])C[C@H](F)C2)CC1 ZINC001246585141 972970201 /nfs/dbraw/zinc/97/02/01/972970201.db2.gz NBVBHUHQEDANCP-RYUDHWBXSA-N 2 0 243.370 1.232 20 0 BDADRP C[C@H]1C[C@H](N2CCCC[C@H](C[NH3+])C2)CC[NH2+]1 ZINC001246589918 972990112 /nfs/dbraw/zinc/99/01/12/972990112.db2.gz GNZKRAHJJXCWBR-YNEHKIRRSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@](C)(O)[C@H](C)C2)CC[NH2+]1 ZINC001246591701 972997525 /nfs/dbraw/zinc/99/75/25/972997525.db2.gz NNZMVYXBJYZYJS-SYQHCUMBSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@H]1C[N@@H+](C2CC[NH2+]CC2)CCC[C@]1(C)O ZINC001246590312 972998822 /nfs/dbraw/zinc/99/88/22/972998822.db2.gz JCRLEPLEGDCBOX-AAEUAGOBSA-N 2 0 226.364 1.221 20 0 BDADRP C1CN([C@H]2CCCC[NH2+]C2)[C@@]2(C1)CCC[NH2+]C2 ZINC001246609260 973031003 /nfs/dbraw/zinc/03/10/03/973031003.db2.gz KYXBNZJXSFFQPK-UONOGXRCSA-N 2 0 237.391 1.347 20 0 BDADRP C1CC[C@]2(CCCN([C@@H]3CCC[NH2+]C3)C2)[NH2+]C1 ZINC001246617120 973034247 /nfs/dbraw/zinc/03/42/47/973034247.db2.gz YBAOPLPJEOMNQT-ZIAGYGMSSA-N 2 0 237.391 1.347 20 0 BDADRP C1C[NH2+]C[C@@H](N2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246627717 973044010 /nfs/dbraw/zinc/04/40/10/973044010.db2.gz WPHCJOSAVXFIDN-ZDUSSCGKSA-N 2 0 237.391 1.204 20 0 BDADRP C[C@H]1C[C@H]([N@@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)CC[NH2+]1 ZINC001246670082 973075315 /nfs/dbraw/zinc/07/53/15/973075315.db2.gz WFFAZSYEPLDAFS-ZDCRXTMVSA-N 2 0 246.301 1.093 20 0 BDADRP CC(C)(C)[C@@H]1C[C@H](N2CC[NH2+][C@H]3C[C@H]32)CC[NH2+]1 ZINC001246667103 973084763 /nfs/dbraw/zinc/08/47/63/973084763.db2.gz XTKJKDGYMBFSDO-XQHKEYJVSA-N 2 0 237.391 1.199 20 0 BDADRP CN([C@@H]1CC[NH2+]C1)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246794860 973095298 /nfs/dbraw/zinc/09/52/98/973095298.db2.gz CDJPIFVRVXMBNR-JHJVBQTASA-N 2 0 239.407 1.447 20 0 BDADRP CC[C@H]1C[C@@H](N2CC[NH2+][C@@H](CC)C2)CC[NH2+]1 ZINC001246803110 973100810 /nfs/dbraw/zinc/10/08/10/973100810.db2.gz MJBSPCFNASPDSY-AVGNSLFASA-N 2 0 225.380 1.201 20 0 BDADRP CC(C)[C@@H]1COCCN1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246837092 973140421 /nfs/dbraw/zinc/14/04/21/973140421.db2.gz QHRCORWEKDLVPN-PIGZVRMJSA-N 2 0 238.375 1.626 20 0 BDADRP CC(C)[C@H]1COCCN1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246837094 973144567 /nfs/dbraw/zinc/14/45/67/973144567.db2.gz QHRCORWEKDLVPN-QNMSZWNNSA-N 2 0 238.375 1.626 20 0 BDADRP C[C@@H]1C[C@H]([NH+]2CC3(C2)CCC[NH2+]CC3)CC[NH2+]1 ZINC001246853837 973158598 /nfs/dbraw/zinc/15/85/98/973158598.db2.gz LRTGHJFATGHKJC-CHWSQXEVSA-N 3 0 237.391 1.202 20 0 BDADRP CCN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCC[NH2+]C1 ZINC001246853903 973160788 /nfs/dbraw/zinc/16/07/88/973160788.db2.gz MGQRPNOKVDGJNA-WJLOJVBCSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@@H]1CC([N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)C[C@@H](C)O1 ZINC001246858653 973169461 /nfs/dbraw/zinc/16/94/61/973169461.db2.gz GNHJFQYOKFZUQV-HNCHTBHHSA-N 2 0 224.348 1.366 20 0 BDADRP CCC[N@H+](C)CC(=O)NCc1ccccc1C[NH3+] ZINC001328592645 973173035 /nfs/dbraw/zinc/17/30/35/973173035.db2.gz ZHKNWHPLEKYBLI-UHFFFAOYSA-N 2 0 249.358 1.103 20 0 BDADRP C1C[C@@H]2C[C@H](N3C[C@H]4CCC[C@@H](C3)[NH2+]4)C[C@H](C1)[NH2+]2 ZINC001246881975 973289471 /nfs/dbraw/zinc/28/94/71/973289471.db2.gz PJUZHQPIUIJNCA-OYQDBORRSA-N 2 0 249.402 1.486 20 0 BDADRP COC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246875727 973312029 /nfs/dbraw/zinc/31/20/29/973312029.db2.gz LIWMOJBHNZBWTM-VJBQPNPTSA-N 2 0 238.375 1.769 20 0 BDADRP CCC[C@H]1CN(C2C[C@@H](C)[NH2+][C@H](C)C2)CC[NH2+]1 ZINC001246896199 973349000 /nfs/dbraw/zinc/34/90/00/973349000.db2.gz FEPMCXYMQMGZRK-UPJWGTAASA-N 2 0 239.407 1.589 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+]C1CCC(C[NH3+])CC1 ZINC001329025257 973439204 /nfs/dbraw/zinc/43/92/04/973439204.db2.gz UNMUFLRDFFNNLL-VOMCLLRMSA-N 3 0 213.369 1.092 20 0 BDADRP C[NH2+][C@@H](C)CC[NH2+]C1CCC(C[NH3+])CC1 ZINC001329025255 973439811 /nfs/dbraw/zinc/43/98/11/973439811.db2.gz UNMUFLRDFFNNLL-UNXYVOJBSA-N 3 0 213.369 1.092 20 0 BDADRP C1[C@H]2C[NH2+]C[C@@H]2N1C1CCC2(CCC[NH2+]C2)CC1 ZINC001246921378 973523915 /nfs/dbraw/zinc/52/39/15/973523915.db2.gz RYVAGMOPXPIYRU-JLVJUDLZSA-N 2 0 249.402 1.202 20 0 BDADRP C[C@@H]1CC(N2CCC[C@@H]([NH3+])[C@H]2C)C[C@@H](C)[NH2+]1 ZINC001246937512 973635569 /nfs/dbraw/zinc/63/55/69/973635569.db2.gz IGVBREDMLXAXFM-PRULPYPASA-N 2 0 225.380 1.327 20 0 BDADRP C[C@@H]1C[C@@H](N2CCC[C@H]([NH3+])[C@H]2C)C[C@H](C)[NH2+]1 ZINC001246937508 973636438 /nfs/dbraw/zinc/63/64/38/973636438.db2.gz IGVBREDMLXAXFM-MLGHIDQZSA-N 2 0 225.380 1.327 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)CCSC ZINC000234810851 973768754 /nfs/dbraw/zinc/76/87/54/973768754.db2.gz ZSZJCTXLZAVNCO-MNOVXSKESA-N 2 0 234.409 1.472 20 0 BDADRP C[n+]1ccccc1-n1cc2ccc(C[NH3+])cc2n1 ZINC001171315572 973772490 /nfs/dbraw/zinc/77/24/90/973772490.db2.gz RBNCZKYMQUIEIK-UHFFFAOYSA-N 2 0 239.302 1.309 20 0 BDADRP C1CN([C@@H]2CC[NH2+]C3(CCCCC3)C2)C[NH2+]1 ZINC001246991000 973772955 /nfs/dbraw/zinc/77/29/55/973772955.db2.gz JYOSVRIUPKHJIM-GFCCVEGCSA-N 2 0 223.364 1.304 20 0 BDADRP C[NH+](C)Cc1ccc2[nH]c(CCC[NH3+])nc2c1 ZINC001247018404 973796090 /nfs/dbraw/zinc/79/60/90/973796090.db2.gz ACIUQPVFCHHKLD-UHFFFAOYSA-N 2 0 232.331 1.516 20 0 BDADRP C[C@H](CCC[NH3+])NC(=O)[C@H]([NH3+])C1CCCCC1 ZINC001329498622 973798888 /nfs/dbraw/zinc/79/88/88/973798888.db2.gz FJZSZLRYEPRQIN-ZYHUDNBSSA-N 2 0 241.379 1.138 20 0 BDADRP C[C@@H]1C[C@H](N2CC[C@H]3[NH2+]CCC[C@H]3C2)CCO1 ZINC001247017139 973800505 /nfs/dbraw/zinc/80/05/05/973800505.db2.gz ZVSNLINUDRTWSX-XJFOESAGSA-N 2 0 238.375 1.628 20 0 BDADRP C[n+]1cccc(-n2cc3ccc(C[NH3+])cc3n2)c1 ZINC001171322719 973801903 /nfs/dbraw/zinc/80/19/03/973801903.db2.gz DWRRHMUAQIUINN-UHFFFAOYSA-N 2 0 239.302 1.309 20 0 BDADRP c1cc2c(c(NC[C@H]3CCCC[NH2+]3)c1)C[NH2+]CC2 ZINC001171333113 973862177 /nfs/dbraw/zinc/86/21/77/973862177.db2.gz CADMZEWDZKXDDV-CYBMUJFWSA-N 2 0 245.370 1.886 20 0 BDADRP Cc1cccc2c1CC[C@@H]([NH2+]CCOCC[NH3+])C2 ZINC001171553157 974098088 /nfs/dbraw/zinc/09/80/88/974098088.db2.gz OBFPASDDTUXHOW-CQSZACIVSA-N 2 0 248.370 1.417 20 0 BDADRP C[NH+]1C(C)(C)CC([N@@H+]2CC[C@@H](O)C2)CC1(C)C ZINC001171629849 974108530 /nfs/dbraw/zinc/10/85/30/974108530.db2.gz XBYIVFHPYLCFPU-GFCCVEGCSA-N 2 0 240.391 1.704 20 0 BDADRP C[NH+]1C(C)(C)CC([NH2+]CCCO)CC1(C)C ZINC001171619247 974111947 /nfs/dbraw/zinc/11/19/47/974111947.db2.gz ZSIYNLNKLPFBCW-UHFFFAOYSA-N 2 0 228.380 1.610 20 0 BDADRP C[NH+]1C(C)(C)CC([NH2+][C@H]2C[C@@H](O)C2)CC1(C)C ZINC001171621092 974112870 /nfs/dbraw/zinc/11/28/70/974112870.db2.gz JSDAWTCJZQVIJD-KLPPZKSPSA-N 2 0 240.391 1.751 20 0 BDADRP C[C@H](CO)[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171618004 974115922 /nfs/dbraw/zinc/11/59/22/974115922.db2.gz TZJAWRAZBLSJFE-SNVBAGLBSA-N 2 0 228.380 1.608 20 0 BDADRP C[NH+]1C(C)(C)CC([NH2+]CCCC[NH3+])CC1(C)C ZINC001171620819 974116260 /nfs/dbraw/zinc/11/62/60/974116260.db2.gz GALICMOMDPTPSW-UHFFFAOYSA-N 3 0 241.423 1.966 20 0 BDADRP [NH3+][C@@H]1CCN(Cc2ccc[nH]2)CC[C@@H]1F ZINC001206155595 974328350 /nfs/dbraw/zinc/32/83/50/974328350.db2.gz MODYWXHOCALZML-WDEREUQCSA-N 2 0 211.284 1.276 20 0 BDADRP N[C@@H]1CC[N@H+](CCC2CCOCC2)CC[C@@H]1F ZINC001206156801 974331432 /nfs/dbraw/zinc/33/14/32/974331432.db2.gz SXFZZEBAXJZJAX-QWHCGFSZSA-N 2 0 244.354 1.564 20 0 BDADRP C[C@H](C[NH3+])CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172113642 974384539 /nfs/dbraw/zinc/38/45/39/974384539.db2.gz DZVLTJTXYQIRTR-LPWJVIDDSA-N 2 0 225.380 1.186 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC1CC([NH3+])C1)C2 ZINC001172117574 974386678 /nfs/dbraw/zinc/38/66/78/974386678.db2.gz MUDJFGKRVDKVFP-SSYPOUIUSA-N 2 0 223.364 1.081 20 0 BDADRP CC(C)N1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001172219666 974447305 /nfs/dbraw/zinc/44/73/05/974447305.db2.gz JOZOKVDZMXDSIQ-FUDCBSFHSA-N 2 0 238.375 1.769 20 0 BDADRP C[NH+](C)C1CC[NH+](C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172226093 974460512 /nfs/dbraw/zinc/46/05/12/974460512.db2.gz PREVJDXVGJZFLB-AGUYFDCRSA-N 2 0 238.375 1.722 20 0 BDADRP C[NH+](C)CCCC[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172230254 974471537 /nfs/dbraw/zinc/47/15/37/974471537.db2.gz VRWFKIZEEWVINT-YHWZYXNKSA-N 2 0 224.348 1.404 20 0 BDADRP [NH3+][C@@H]1CC[N@H+](Cc2ccc(O)cc2)CC[C@@H]1F ZINC001206163526 974490119 /nfs/dbraw/zinc/49/01/19/974490119.db2.gz DEMOOEZOKVEPQP-QWHCGFSZSA-N 2 0 238.306 1.653 20 0 BDADRP C[C@@H]([NH3+])CN[C@H]1c2ccccc2NC1(C)C ZINC001330832922 974498126 /nfs/dbraw/zinc/49/81/26/974498126.db2.gz VFEJAZAFKOHWDI-SKDRFNHKSA-N 2 0 219.332 1.869 20 0 BDADRP COCCC[NH+]1CCC([NH2+]C2CC(C)C2)CC1 ZINC001172243530 974510829 /nfs/dbraw/zinc/51/08/29/974510829.db2.gz NMRCZDKKAOKKEM-UHFFFAOYSA-N 2 0 240.391 1.875 20 0 BDADRP CCOCC[C@@H](C)[NH2+]CC12CC[NH+](CC1)CC2 ZINC001172414049 974679932 /nfs/dbraw/zinc/67/99/32/974679932.db2.gz LOUMNDLHMKGGCM-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP CCOCC[C@H](C)[NH2+][C@H]1CCN(C)C[C@@H]1C ZINC001172422756 974695701 /nfs/dbraw/zinc/69/57/01/974695701.db2.gz IHUHBBPEIGLIPG-AVGNSLFASA-N 2 0 228.380 1.731 20 0 BDADRP C[C@H]([NH3+])[C@H](C)[NH2+]CCc1ccc(F)cc1F ZINC001331417867 974713808 /nfs/dbraw/zinc/71/38/08/974713808.db2.gz DJMLSIFJAFACCQ-IUCAKERBSA-N 2 0 228.286 1.833 20 0 BDADRP C[N@@H+]1CC[C@H](NCCC[NH+]2CCC2)CC1(C)C ZINC001331503654 974742425 /nfs/dbraw/zinc/74/24/25/974742425.db2.gz KIJFRQIBUNUFCL-ZDUSSCGKSA-N 2 0 239.407 1.545 20 0 BDADRP C[N@H+](C[C@H](O)C[NH3+])[C@@H]1CCc2c1cccc2F ZINC001331513333 974746749 /nfs/dbraw/zinc/74/67/49/974746749.db2.gz CALXSQGCZSHMCV-NOZJJQNGSA-N 2 0 238.306 1.064 20 0 BDADRP CCCCCN(CC[NH+](C)C)CC[NH+](C)C ZINC000199574277 974839300 /nfs/dbraw/zinc/83/93/00/974839300.db2.gz SSBLNGUAJKQRIH-UHFFFAOYSA-N 2 0 229.412 1.602 20 0 BDADRP CC(C)OC(=O)CC[C@H](C)[NH2+]CCCC[NH3+] ZINC001172756641 974928809 /nfs/dbraw/zinc/92/88/09/974928809.db2.gz PGXVZUMONMSENY-NSHDSACASA-N 2 0 230.352 1.435 20 0 BDADRP CO[C@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC001172915838 974964419 /nfs/dbraw/zinc/96/44/19/974964419.db2.gz XBFLSVBUTRCPKP-RNJOBUHISA-N 2 0 226.364 1.804 20 0 BDADRP Nc1cc(OC2CC[NH+](C3CC3)CC2)cc[nH+]1 ZINC001226656585 975004329 /nfs/dbraw/zinc/00/43/29/975004329.db2.gz LRJIRLPWQLGLHK-UHFFFAOYSA-N 2 0 233.315 1.669 20 0 BDADRP CCCOC1CCC([NH2+]CCOCC[NH3+])CC1 ZINC001173092019 975016860 /nfs/dbraw/zinc/01/68/60/975016860.db2.gz GBYYVKPJKFLIFB-UHFFFAOYSA-N 2 0 244.379 1.289 20 0 BDADRP CC[NH+](CC)C1CCC([NH+]2CC(OC)C2)CC1 ZINC001173109009 975024212 /nfs/dbraw/zinc/02/42/12/975024212.db2.gz VMVHDXUCEUWSJD-UHFFFAOYSA-N 2 0 240.391 1.970 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+][C@H]1CCc2ncsc2C1 ZINC001173134524 975042847 /nfs/dbraw/zinc/04/28/47/975042847.db2.gz HYQOROHOMNUNTK-LPEHRKFASA-N 2 0 237.372 1.470 20 0 BDADRP [NH3+]C1CC([NH2+][C@H]2CCc3ncsc3C2)C1 ZINC001173140231 975044182 /nfs/dbraw/zinc/04/41/82/975044182.db2.gz JKOGWGWBUSISHP-MGURRDGZSA-N 2 0 223.345 1.080 20 0 BDADRP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccnn1C ZINC001332395470 975090837 /nfs/dbraw/zinc/09/08/37/975090837.db2.gz JGMAMAFDTHGWGE-UNXYVOJBSA-N 2 0 236.363 1.588 20 0 BDADRP CCc1ccc(C[C@@H](C)[NH2+]C[C@H](O)C[NH3+])cc1 ZINC001173239249 975166146 /nfs/dbraw/zinc/16/61/46/975166146.db2.gz PCFDDHHBDCUQJZ-BXUZGUMPSA-N 2 0 236.359 1.089 20 0 BDADRP CC[N@@H+]1CC[C@@H](n2ncc3c2cccc3C[NH3+])C1 ZINC001173349702 975292777 /nfs/dbraw/zinc/29/27/77/975292777.db2.gz DLBQWEHFCZEBIA-GFCCVEGCSA-N 2 0 244.342 1.762 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC001332880238 975306294 /nfs/dbraw/zinc/30/62/94/975306294.db2.gz VVGZLBXHWXIEOD-NNWKIESISA-N 2 0 249.402 1.090 20 0 BDADRP CC[N@@H+]1CC[C@H](NC(C)(C)CC[NH+](C)C)C1 ZINC001173355717 975311229 /nfs/dbraw/zinc/31/12/29/975311229.db2.gz UTKGWRGXSPEARF-LBPRGKRZSA-N 2 0 227.396 1.401 20 0 BDADRP CC[N@@H+]1CC[C@@H](Nc2ccc(C[NH2+]C)cc2)C1 ZINC001173359780 975327875 /nfs/dbraw/zinc/32/78/75/975327875.db2.gz ACNIMIKFFORYMY-CQSZACIVSA-N 2 0 233.359 1.912 20 0 BDADRP CC[N@@H+]1CC[C@@H](N2C[C@@H](C[NH3+])c3ccccc32)C1 ZINC001173361299 975330149 /nfs/dbraw/zinc/33/01/49/975330149.db2.gz USDWEDBJOFDXKQ-CHWSQXEVSA-N 2 0 245.370 1.643 20 0 BDADRP CCN1CC[C@@H]([N@H+](C)CC2CC[NH+](C)CC2)C1 ZINC001173360668 975331485 /nfs/dbraw/zinc/33/14/85/975331485.db2.gz DLXROOCNZYLXKC-CQSZACIVSA-N 2 0 239.407 1.354 20 0 BDADRP CC[N@@H+]1CC[C@H](N2CCC[C@@H]3C[NH+](C)C[C@H]32)C1 ZINC001173366098 975344159 /nfs/dbraw/zinc/34/41/59/975344159.db2.gz WKHNJRAMNNHFQD-HZSPNIEDSA-N 2 0 237.391 1.107 20 0 BDADRP CC[N@@H+]1CC[C@@H](N2CCC[NH+]3CCC[C@H]3C2)C1 ZINC001173365932 975345872 /nfs/dbraw/zinc/34/58/72/975345872.db2.gz SGWADYJSFXHAAF-UONOGXRCSA-N 2 0 237.391 1.251 20 0 BDADRP CC[N@@H+]1CC[C@H](N2CC[NH+](CC)C[C@H]2C)C1 ZINC001173369616 975350575 /nfs/dbraw/zinc/35/05/75/975350575.db2.gz VUSCTDNWPACHME-OLZOCXBDSA-N 2 0 225.380 1.107 20 0 BDADRP COC(=O)CCCC[C@H](C)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC001173436957 975373762 /nfs/dbraw/zinc/37/37/62/975373762.db2.gz GWPKLKVTXWDZKW-RYUDHWBXSA-N 2 0 242.363 1.531 20 0 BDADRP CN1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC[C@H]1CCOC1 ZINC001333487480 975809603 /nfs/dbraw/zinc/80/96/03/975809603.db2.gz HZQHGFXPQLZLHZ-MELADBBJSA-N 2 0 238.375 1.582 20 0 BDADRP C([C@H]1CCC[NH2+]C1)[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC001333623273 975900414 /nfs/dbraw/zinc/90/04/14/975900414.db2.gz YCOZTDIFYGCANM-UONOGXRCSA-N 2 0 238.375 1.489 20 0 BDADRP CC[C@@H](C)[C@H](O)C[NH2+]CC1CC[NH+](C)CC1 ZINC001333670732 975971393 /nfs/dbraw/zinc/97/13/93/975971393.db2.gz LRZRIVZTXVUNOF-DGCLKSJQSA-N 2 0 228.380 1.325 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1C2CCC1(CO)CC2 ZINC001333761355 976037798 /nfs/dbraw/zinc/03/77/98/976037798.db2.gz ZBYRVWJSYJARJM-UHFFFAOYSA-N 2 0 240.391 1.708 20 0 BDADRP CC[N@@H+]1CCC[C@@H](CNC(=[NH2+])NCC(F)F)C1 ZINC001334041509 976241072 /nfs/dbraw/zinc/24/10/72/976241072.db2.gz GNDPZQSPFPHQRG-VIFPVBQESA-N 2 0 248.321 1.097 20 0 BDADRP Cc1ccc([C@@H](O)C[NH2+]C[C@H]2CC[N@@H+](C)C2)cc1 ZINC001335350256 976986552 /nfs/dbraw/zinc/98/65/52/976986552.db2.gz FODUYLFWISAGFX-HIFRSBDPSA-N 2 0 248.370 1.570 20 0 BDADRP Cc1ccc([C@H](O)C[NH2+]C[C@H]2CC[N@@H+](C)C2)cc1 ZINC001335350257 976987578 /nfs/dbraw/zinc/98/75/78/976987578.db2.gz FODUYLFWISAGFX-UKRRQHHQSA-N 2 0 248.370 1.570 20 0 BDADRP C[N@@H+]1CCCC[C@H](C[NH2+]C[C@H](O)C2CC2)C1 ZINC001335428044 977049284 /nfs/dbraw/zinc/04/92/84/977049284.db2.gz ATQFONHLUXGEKY-YPMHNXCESA-N 2 0 226.364 1.079 20 0 BDADRP CC[NH+](CC)CCCC[NH2+][C@H](C)[C@H](C)O ZINC001335943992 977378534 /nfs/dbraw/zinc/37/85/34/977378534.db2.gz ZYRRALGZKFJOFF-NEPJUHHUSA-N 2 0 216.369 1.467 20 0 BDADRP CN(C)c1cc[nH+]cc1NC1=CCC[N@H+](C)C1 ZINC001175574041 977568099 /nfs/dbraw/zinc/56/80/99/977568099.db2.gz KXDFLNTVKIPNQK-UHFFFAOYSA-N 2 0 232.331 1.779 20 0 BDADRP CN(c1cc(N)cc[nH+]1)C1=CCC[N@H+](C)C1 ZINC001175576614 977577634 /nfs/dbraw/zinc/57/76/34/977577634.db2.gz KLKIYLDSKHPFOY-UHFFFAOYSA-N 2 0 218.304 1.319 20 0 BDADRP C[NH2+]C[C@@H](C)CNC[C@@H]([NH3+])CCC(C)(C)C ZINC001336284675 977615334 /nfs/dbraw/zinc/61/53/34/977615334.db2.gz BUSISZPFHFWLPR-NEPJUHHUSA-N 2 0 229.412 1.585 20 0 BDADRP C[C@H]1C[N@H+](Cc2cc3c[nH+]ccc3[nH]2)CC[C@@H]1O ZINC001232011692 977837787 /nfs/dbraw/zinc/83/77/87/977837787.db2.gz OCZSJRAXQMOEHM-HZMBPMFUSA-N 2 0 245.326 1.766 20 0 BDADRP C[C@]1(CO)CC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232012285 977840436 /nfs/dbraw/zinc/84/04/36/977840436.db2.gz YBPJBGZJPNJXKA-AWEZNQCLSA-N 2 0 245.326 1.767 20 0 BDADRP C[NH+](C)[C@H]1CCN(Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232010808 977840449 /nfs/dbraw/zinc/84/04/49/977840449.db2.gz BZKWFEXHVQTNTL-ZDUSSCGKSA-N 2 0 244.342 1.699 20 0 BDADRP O[C@@H]1CCC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232012240 977840836 /nfs/dbraw/zinc/84/08/36/977840836.db2.gz WOOLQQKTBCZPKB-GFCCVEGCSA-N 2 0 231.299 1.520 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+](Cc1cncc(O)c1)CC2 ZINC001232047170 977873886 /nfs/dbraw/zinc/87/38/86/977873886.db2.gz RSVGIOZDVVWSOE-UHFFFAOYSA-N 2 0 247.342 1.315 20 0 BDADRP Cc1cc(Nc2c[nH+]cn2C)cc(C)[nH+]1 ZINC001176054191 977904851 /nfs/dbraw/zinc/90/48/51/977904851.db2.gz AJRGADHXNMKUBI-UHFFFAOYSA-N 2 0 202.261 1.597 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@H+](C[C@H]2CC[NH2+]C2)CC1 ZINC001206293103 978293538 /nfs/dbraw/zinc/29/35/38/978293538.db2.gz GHMBPAIROJZNES-QWHCGFSZSA-N 3 0 225.380 1.047 20 0 BDADRP C[NH+](C)CCCOC1CC[NH+](C2CC2)CC1 ZINC001206296964 978307389 /nfs/dbraw/zinc/30/73/89/978307389.db2.gz RJFZVOIXGFVGKT-UHFFFAOYSA-N 2 0 226.364 1.582 20 0 BDADRP C[C@@H](C[NH+](C)C)OCC[NH+]1CCCC1 ZINC001206303310 978362362 /nfs/dbraw/zinc/36/23/62/978362362.db2.gz XVSVANGVTFXWJG-NSHDSACASA-N 2 0 200.326 1.049 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)CN1c1cc[nH+]cc1 ZINC001337708077 978468028 /nfs/dbraw/zinc/46/80/28/978468028.db2.gz CQXWDCDAUDBOMP-GHMZBOCLSA-N 2 0 205.305 1.610 20 0 BDADRP Cn1c[nH+]cc1N1CCC2(CCC[N@H+](C)C2)CC1 ZINC001277765347 978471648 /nfs/dbraw/zinc/47/16/48/978471648.db2.gz FLFTXPSMHRXNPV-UHFFFAOYSA-N 2 0 248.374 1.732 20 0 BDADRP Cc1cc(N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)cc[nH+]1 ZINC001338162086 978623471 /nfs/dbraw/zinc/62/34/71/978623471.db2.gz GXULUHDNJKEGIZ-MRVWCRGKSA-N 2 0 231.343 1.564 20 0 BDADRP CC(C)[N@@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001277798824 978665875 /nfs/dbraw/zinc/66/58/75/978665875.db2.gz BUPIQBRILWKPKT-STQMWFEESA-N 2 0 225.380 1.105 20 0 BDADRP CC[C@@H](C)[NH+]1CC2(C1)CCN(CC[NH+](C)C)C2 ZINC001277807195 978695350 /nfs/dbraw/zinc/69/53/50/978695350.db2.gz LIDKWAFAFTYBNY-CYBMUJFWSA-N 2 0 239.407 1.354 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](C)C2)CCO1 ZINC000069863061 978766149 /nfs/dbraw/zinc/76/61/49/978766149.db2.gz RGZUYSPEHSGQBW-SRVKXCTJSA-N 2 0 212.337 1.095 20 0 BDADRP CC(=O)[C@@H](C)[N@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001277888072 978903510 /nfs/dbraw/zinc/90/35/10/978903510.db2.gz HFNGUWTXZULZSB-RTXFEEFZSA-N 2 0 224.348 1.238 20 0 BDADRP Cc1c[nH]ccc1=[NH+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001339998981 978953955 /nfs/dbraw/zinc/95/39/55/978953955.db2.gz LIJKREZLQKCEKQ-MBNYWOFBSA-N 2 0 231.343 1.564 20 0 BDADRP C(CN1CC[C@]2(CC[NH2+]C2)C1)[C@H]1CCCC[NH2+]1 ZINC001235032472 978954906 /nfs/dbraw/zinc/95/49/06/978954906.db2.gz QGZORMIQVQCPMQ-KGLIPLIRSA-N 2 0 237.391 1.204 20 0 BDADRP C([C@@H]1CCC[NH2+]1)N1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235038292 978958973 /nfs/dbraw/zinc/95/89/73/978958973.db2.gz FMFIMZVDEICFAG-UONOGXRCSA-N 2 0 237.391 1.347 20 0 BDADRP CC[C@@H]([NH3+])CN1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235040518 978959443 /nfs/dbraw/zinc/95/94/43/978959443.db2.gz LIDBPUUJYGMWKC-CHWSQXEVSA-N 2 0 225.380 1.332 20 0 BDADRP C(CN1CC[C@H]2[NH2+]CC[C@H]21)C[NH+]1CCCCC1 ZINC001235071509 978968084 /nfs/dbraw/zinc/96/80/84/978968084.db2.gz AZOGQGUXVJLIIX-ZIAGYGMSSA-N 2 0 237.391 1.299 20 0 BDADRP [NH3+]CCCCCN1CCCC[C@]12CC[NH2+]C2 ZINC001235121305 978978478 /nfs/dbraw/zinc/97/84/78/978978478.db2.gz CHIDEXRLMRFJMU-CYBMUJFWSA-N 2 0 225.380 1.333 20 0 BDADRP C([C@H]1CCC[NH2+]1)N1CCCC[C@]12CCC[NH2+]C2 ZINC001235172130 978989160 /nfs/dbraw/zinc/98/91/60/978989160.db2.gz KMJURTFEDXVYHG-ZIAGYGMSSA-N 2 0 237.391 1.347 20 0 BDADRP [NH3+][C@H]1C[C@H](F)CN(Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC001206445356 979022114 /nfs/dbraw/zinc/02/21/14/979022114.db2.gz ONOSAXACCYJJJN-KBPBESRZSA-N 2 0 249.333 1.161 20 0 BDADRP CN(CC[C@@H]1CCCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC001235342038 979023166 /nfs/dbraw/zinc/02/31/66/979023166.db2.gz GRALBNOFVUGEMX-STQMWFEESA-N 2 0 225.380 1.202 20 0 BDADRP COC[C@@]12CCC[C@@H]1C[N@H+](C[C@@H](C)[NH3+])C2 ZINC001235570968 979096941 /nfs/dbraw/zinc/09/69/41/979096941.db2.gz VJIHPYLMLACCQJ-UTUOFQBUSA-N 2 0 212.337 1.082 20 0 BDADRP [NH3+]CCCC[NH+]1CCC(Oc2cccnc2)CC1 ZINC001235674784 979113923 /nfs/dbraw/zinc/11/39/23/979113923.db2.gz ORDFERGJQXHTCU-UHFFFAOYSA-N 2 0 249.358 1.664 20 0 BDADRP OCCC[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001235677294 979116654 /nfs/dbraw/zinc/11/66/54/979116654.db2.gz GHCALWIOYMDNSS-AWEZNQCLSA-N 2 0 240.391 1.709 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@@H]([NH3+])C(C)(C)C ZINC001340831995 979120032 /nfs/dbraw/zinc/12/00/32/979120032.db2.gz JQSGKRZCNYAJMF-HBNTYKKESA-N 2 0 241.379 1.007 20 0 BDADRP CC[C@H]1CN(CC[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001235723594 979134434 /nfs/dbraw/zinc/13/44/34/979134434.db2.gz HBBJKXWYNPNCGK-OLZOCXBDSA-N 2 0 225.380 1.060 20 0 BDADRP [NH3+]CCN1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccccc2)C1 ZINC001235792768 979148895 /nfs/dbraw/zinc/14/88/95/979148895.db2.gz GBQHBKXELXVIOL-GJZGRUSLSA-N 2 0 245.370 1.151 20 0 BDADRP CC(C)(C[NH3+])CC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC001340946169 979173060 /nfs/dbraw/zinc/17/30/60/979173060.db2.gz VYRXGGRIJBLVCZ-LLVKDONJSA-N 2 0 241.379 1.010 20 0 BDADRP CC1(CN(CC[NH3+])CC[NH3+])CCCCC1 ZINC001235877414 979176387 /nfs/dbraw/zinc/17/63/87/979176387.db2.gz ORYPAGWXNFDALE-UHFFFAOYSA-N 2 0 213.369 1.176 20 0 BDADRP CC(C)=CCC[C@@H](C)CN(CC[NH3+])CC[NH3+] ZINC001235875954 979177337 /nfs/dbraw/zinc/17/73/37/979177337.db2.gz UQAFOOGGGCVCNT-CYBMUJFWSA-N 2 0 227.396 1.588 20 0 BDADRP Cc1cccc(CN(CC[NH3+])CC[NH3+])c1C ZINC001235878112 979178754 /nfs/dbraw/zinc/17/87/54/979178754.db2.gz ZVHKIDPMIFOBDS-UHFFFAOYSA-N 2 0 221.348 1.023 20 0 BDADRP C[C@@H]([NH3+])CN1CCC([NH+]2CCC(F)CC2)CC1 ZINC001235892127 979184286 /nfs/dbraw/zinc/18/42/86/979184286.db2.gz LEQRHXILWCXUCB-LLVKDONJSA-N 2 0 243.370 1.232 20 0 BDADRP [NH3+]Cc1ccc(CN2CC3(C2)CCCC[NH2+]3)cc1 ZINC001235923228 979207931 /nfs/dbraw/zinc/20/79/31/979207931.db2.gz WBCWELQXZHNMSQ-UHFFFAOYSA-N 2 0 245.370 1.473 20 0 BDADRP C[C@H]([NH3+])CN1CC[C@@H](c2cccc(F)c2)C1 ZINC001235935377 979212770 /nfs/dbraw/zinc/21/27/70/979212770.db2.gz ULZLDCYDMJTQGG-CMPLNLGQSA-N 2 0 222.307 1.962 20 0 BDADRP Cc1noc([C@@H]2CCC[N@@H+]2CCCC[NH3+])n1 ZINC001235960140 979227776 /nfs/dbraw/zinc/22/77/76/979227776.db2.gz OTDDLNHJXSBPIZ-JTQLQIEISA-N 2 0 224.308 1.254 20 0 BDADRP CC1(C)C[C@H](C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)CCO1 ZINC001235977322 979239284 /nfs/dbraw/zinc/23/92/84/979239284.db2.gz GNBDFIITDLRFLJ-DYEKYZERSA-N 2 0 238.375 1.615 20 0 BDADRP [NH3+]CCN1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235973500 979242132 /nfs/dbraw/zinc/24/21/32/979242132.db2.gz FYIWXRIQPSPINK-UHFFFAOYSA-N 2 0 245.370 1.082 20 0 BDADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]1CCCCC[NH2+]1 ZINC001341240983 979287338 /nfs/dbraw/zinc/28/73/38/979287338.db2.gz HSVHHYLLLVNKAE-NEPJUHHUSA-N 2 0 241.379 1.008 20 0 BDADRP [NH3+][C@]12CC[C@H]1CN(Cc1cccc3c[nH+]cn31)C2 ZINC001235997420 979292166 /nfs/dbraw/zinc/29/21/66/979292166.db2.gz ULYBRXKGDWFSQJ-FZMZJTMJSA-N 2 0 242.326 1.257 20 0 BDADRP [NH3+][C@@]12C[C@@H]1CN(Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001236032154 979329437 /nfs/dbraw/zinc/32/94/37/979329437.db2.gz VFVILTMVQRDSCB-ZWNOBZJWSA-N 2 0 228.299 1.096 20 0 BDADRP C[C@H]1C[C@H](N)C[N@H+](CCC2CC[NH2+]CC2)C1 ZINC001236043925 979339577 /nfs/dbraw/zinc/33/95/77/979339577.db2.gz GGUATBGBFSUROS-AAEUAGOBSA-N 2 0 225.380 1.045 20 0 BDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)[NH3+] ZINC001341336957 979342001 /nfs/dbraw/zinc/34/20/01/979342001.db2.gz LLZLRIGYUNNZOC-NSHDSACASA-N 2 0 241.379 1.055 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCc2cccnc2C1 ZINC001236062864 979353002 /nfs/dbraw/zinc/35/30/02/979353002.db2.gz CGSNUHBWFZQBAL-UHFFFAOYSA-N 2 0 205.305 1.179 20 0 BDADRP C[C@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCCN1 ZINC001236097078 979384376 /nfs/dbraw/zinc/38/43/76/979384376.db2.gz HJIGUHWSPFAUCE-STQMWFEESA-N 2 0 225.380 1.060 20 0 BDADRP C[C@H]1C[N@H+](CCC2CC[NH2+]CC2)CCCN1 ZINC001236096532 979384447 /nfs/dbraw/zinc/38/44/47/979384447.db2.gz DCEZWYQZIFPEFJ-LBPRGKRZSA-N 2 0 225.380 1.060 20 0 BDADRP CCc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)s1 ZINC001206474496 979386354 /nfs/dbraw/zinc/38/63/54/979386354.db2.gz CCAOFUNRQMXZNX-JOYOIKCWSA-N 2 0 240.372 1.062 20 0 BDADRP C[C@H]1CN(Cc2ccc3c(c2)NCC3)CCC[NH2+]1 ZINC001236100696 979387663 /nfs/dbraw/zinc/38/76/63/979387663.db2.gz NBGXFRJRKNUMNY-LBPRGKRZSA-N 2 0 245.370 1.838 20 0 BDADRP CN(CC[C@@H]1CCCC[NH2+]1)C[C@@H]1CCC[NH2+]1 ZINC001236118635 979397763 /nfs/dbraw/zinc/39/77/63/979397763.db2.gz XZIMOLHVOKRROZ-STQMWFEESA-N 2 0 225.380 1.202 20 0 BDADRP C[C@@H]([NH3+])CN1CC[NH2+]C[C@@H]1c1ccc(F)cc1 ZINC001236128440 979403489 /nfs/dbraw/zinc/40/34/89/979403489.db2.gz KIGPSILYUNJXRY-ZWNOBZJWSA-N 2 0 237.322 1.119 20 0 BDADRP CCCC[C@H]1CN(C[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC001236135635 979408647 /nfs/dbraw/zinc/40/86/47/979408647.db2.gz PKOYKGMWLLUWMH-STQMWFEESA-N 2 0 225.380 1.060 20 0 BDADRP COC(=O)c1ccc2c(c1)C[N@@H+](CCCC[NH3+])C2 ZINC001236229880 979460033 /nfs/dbraw/zinc/46/00/33/979460033.db2.gz SEPZPOOLGANLJP-UHFFFAOYSA-N 2 0 248.326 1.528 20 0 BDADRP C([C@@H]1CCCC[NH2+]1)N(C1CC1)[C@H]1CCC[NH2+]C1 ZINC001236236988 979460562 /nfs/dbraw/zinc/46/05/62/979460562.db2.gz NUBBLVDWNWFUFE-JSGCOSHPSA-N 2 0 237.391 1.345 20 0 BDADRP [NH3+]CCCCCCN(C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001236237803 979463654 /nfs/dbraw/zinc/46/36/54/979463654.db2.gz WCCQEAOCPXOQNS-CQSZACIVSA-N 2 0 239.407 1.722 20 0 BDADRP [NH3+]CCN(Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001236268774 979483070 /nfs/dbraw/zinc/48/30/70/979483070.db2.gz GJUNJZGOBCDUIH-AWEZNQCLSA-N 2 0 233.359 1.199 20 0 BDADRP CC(C)(C)[C@@H]([NH3+])CC(=O)NC1(C)CC[NH2+]CC1 ZINC001341661165 979502617 /nfs/dbraw/zinc/50/26/17/979502617.db2.gz ZJDZJSNMACESJI-JTQLQIEISA-N 2 0 241.379 1.008 20 0 BDADRP Nc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cn1 ZINC001236321392 979531833 /nfs/dbraw/zinc/53/18/33/979531833.db2.gz JGDXJDUWPCMSTN-BETUJISGSA-N 2 0 246.358 1.095 20 0 BDADRP Cc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cn1 ZINC001236319530 979532895 /nfs/dbraw/zinc/53/28/95/979532895.db2.gz BMOYVDYZEAQCCW-GASCZTMLSA-N 2 0 245.370 1.821 20 0 BDADRP C[C@@H]1[C@@H]([NH3+])CCCN1Cc1ccc2c(c1)C[NH2+]C2 ZINC001236415985 979589921 /nfs/dbraw/zinc/58/99/21/979589921.db2.gz BCPVGTXERDOWSH-ABAIWWIYSA-N 2 0 245.370 1.601 20 0 BDADRP C[C@H]1C[NH+](CC2(C)CC[NH2+]CC2)C[C@H](C)N1 ZINC001236424754 979596705 /nfs/dbraw/zinc/59/67/05/979596705.db2.gz VZSGFDVZRXATQE-RYUDHWBXSA-N 2 0 225.380 1.058 20 0 BDADRP CC(C)(C)C[N@H+](CCCO)C1CC[NH2+]CC1 ZINC001236456413 979600896 /nfs/dbraw/zinc/60/08/96/979600896.db2.gz DWCOJPHTFVLHJK-UHFFFAOYSA-N 2 0 228.380 1.469 20 0 BDADRP CC[NH+](CC)CC[C@H](C)NC(=O)C1([NH3+])CCC1 ZINC001341952794 979602371 /nfs/dbraw/zinc/60/23/71/979602371.db2.gz VZNUVKJUSDINEW-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP CC(C)CN(C[C@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC001236475723 979602485 /nfs/dbraw/zinc/60/24/85/979602485.db2.gz XVCUDJLACCEVFR-UONOGXRCSA-N 2 0 239.407 1.306 20 0 BDADRP CC(C)N(C[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC001236468593 979603454 /nfs/dbraw/zinc/60/34/54/979603454.db2.gz KGJOESSGMZSWND-ZIAGYGMSSA-N 2 0 239.407 1.448 20 0 BDADRP CC(C)N(CCC1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC001236529206 979622060 /nfs/dbraw/zinc/62/20/60/979622060.db2.gz XGNRBFMQUUEGBK-AWEZNQCLSA-N 2 0 239.407 1.448 20 0 BDADRP CC[C@@H](N)C[N@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551797 979635609 /nfs/dbraw/zinc/63/56/09/979635609.db2.gz NVJLFSMXXARSBH-MGPQQGTHSA-N 2 0 239.407 1.706 20 0 BDADRP C[C@]1(C[NH3+])CCCC[N@H+](C[C@@H]2CCCO2)C1 ZINC001206542138 979649986 /nfs/dbraw/zinc/64/99/86/979649986.db2.gz SETURLQEQVSHPP-QWHCGFSZSA-N 2 0 226.364 1.616 20 0 BDADRP C[C@@H]1C[NH+](CC2(C)CC[NH2+]CC2)C[C@@H](C)N1 ZINC001236577626 979651546 /nfs/dbraw/zinc/65/15/46/979651546.db2.gz VZSGFDVZRXATQE-VXGBXAGGSA-N 2 0 225.380 1.058 20 0 BDADRP CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]C(C)C)[NH+](C)C ZINC001277986666 979673210 /nfs/dbraw/zinc/67/32/10/979673210.db2.gz BHZYKJAMAUNMIY-RYUDHWBXSA-N 2 0 243.395 1.172 20 0 BDADRP C[C@@]1(C[NH3+])CCN(C[C@H]([NH3+])Cc2ccccc2)C1 ZINC001236605315 979676371 /nfs/dbraw/zinc/67/63/71/979676371.db2.gz QQCCDIGKSQIYEC-CABCVRRESA-N 2 0 247.386 1.227 20 0 BDADRP Cc1cnccc1O[C@@H]1CC[N@H+](CCCO)C1 ZINC001236663374 979688314 /nfs/dbraw/zinc/68/83/14/979688314.db2.gz KKNHHEOWKYJCHO-GFCCVEGCSA-N 2 0 236.315 1.226 20 0 BDADRP CCCN(C[C@H]1CC[NH2+]C1)C[C@@H]1CCC[NH2+]1 ZINC001236832685 979748219 /nfs/dbraw/zinc/74/82/19/979748219.db2.gz WQXIMRMHKIGPDM-STQMWFEESA-N 2 0 225.380 1.060 20 0 BDADRP CCCC[NH+]1CCC(N(C)C[C@@H](C)[NH3+])CC1 ZINC001236848150 979760897 /nfs/dbraw/zinc/76/08/97/979760897.db2.gz NMTQHYCGTSQEPE-GFCCVEGCSA-N 2 0 227.396 1.530 20 0 BDADRP O=C(Nc1cccc2c1C[NH2+]C2)[C@H]1CCCC[NH2+]1 ZINC001342395066 979790515 /nfs/dbraw/zinc/79/05/15/979790515.db2.gz BUESSAOIDQUVRS-CYBMUJFWSA-N 2 0 245.326 1.370 20 0 BDADRP CC[N@H+]1C[C@@H]2C[NH+](CCCCCO)C[C@@H]2C1 ZINC001236950269 979797811 /nfs/dbraw/zinc/79/78/11/979797811.db2.gz KXQVLVSFHHIKDX-BETUJISGSA-N 2 0 226.364 1.033 20 0 BDADRP Cc1ccn2cc(C[N@H+](C)CCCC[NH3+])nc2c1 ZINC001237205566 979845982 /nfs/dbraw/zinc/84/59/82/979845982.db2.gz XCYUYWPASWSZNB-UHFFFAOYSA-N 2 0 246.358 1.813 20 0 BDADRP C1=C2[NH2+]CCN(C[C@@H]3CCC[NH2+]C3)[C@H]2CCC1 ZINC001237218588 979847462 /nfs/dbraw/zinc/84/74/62/979847462.db2.gz JJUUGQGLLSOTQH-OCCSQVGLSA-N 2 0 235.375 1.328 20 0 BDADRP [NH3+][C@H]1CCC12CC[NH+](CCCCCO)CC2 ZINC001237355443 979870661 /nfs/dbraw/zinc/87/06/61/979870661.db2.gz BHWQXDQTHWQHJW-LBPRGKRZSA-N 2 0 226.364 1.352 20 0 BDADRP C[C@H]([NH3+])CN1CC[C@@H]([NH+]2CCCCC2)[C@@H](F)C1 ZINC001237457625 979903495 /nfs/dbraw/zinc/90/34/95/979903495.db2.gz YEDSVAZYOZFXPL-RWMBFGLXSA-N 2 0 243.370 1.232 20 0 BDADRP Cc1coc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)n1 ZINC001237650654 980006140 /nfs/dbraw/zinc/00/61/40/980006140.db2.gz WFHDYFHJCJOZHK-UHFFFAOYSA-N 2 0 249.358 1.901 20 0 BDADRP OC[C@H]1CCC[N@@H+]1Cc1cccc2cncn21 ZINC001238105047 980156949 /nfs/dbraw/zinc/15/69/49/980156949.db2.gz BMGSVMOWTALUCN-CYBMUJFWSA-N 2 0 231.299 1.291 20 0 BDADRP CC1(CC(=O)N(CCCC[NH3+])C(N)=[NH2+])CCC1 ZINC001185110815 980180518 /nfs/dbraw/zinc/18/05/18/980180518.db2.gz YEYSOTHIXYHKTC-UHFFFAOYSA-N 2 0 240.351 1.028 20 0 BDADRP [NH3+]Cc1cccc(C2=CCC[NH2+]CC2)n1 ZINC001238936042 980370695 /nfs/dbraw/zinc/37/06/95/980370695.db2.gz KQOXMDSVLGRZMG-UHFFFAOYSA-N 2 0 203.289 1.307 20 0 BDADRP C[NH2+]CCCCC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC001344399477 980386582 /nfs/dbraw/zinc/38/65/82/980386582.db2.gz NHSFLIZNOLSIBT-GFCCVEGCSA-N 2 0 241.379 1.106 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001345096953 980548271 /nfs/dbraw/zinc/54/82/71/980548271.db2.gz HKLZSLYZCLBOBL-NEPJUHHUSA-N 2 0 226.364 1.391 20 0 BDADRP [NH3+]Cc1ccnc(-c2cncc(C[NH3+])c2)c1 ZINC001239784006 980913831 /nfs/dbraw/zinc/91/38/31/980913831.db2.gz FOYKHSKTHBONRP-UHFFFAOYSA-N 2 0 214.272 1.061 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2CCOC2)CC[C@H]1C[NH3+] ZINC001205600403 981155638 /nfs/dbraw/zinc/15/56/38/981155638.db2.gz BGARMFSBVMPVIJ-AGIUHOORSA-N 2 0 226.364 1.330 20 0 BDADRP C[C@H]1CC[N@H+](Cc2cn[nH]c2)CC[C@H]1C[NH3+] ZINC001205601365 981159065 /nfs/dbraw/zinc/15/90/65/981159065.db2.gz DWEOKYCKCCLERH-JQWIXIFHSA-N 2 0 222.336 1.217 20 0 BDADRP COC(=O)CCC[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205605033 981183615 /nfs/dbraw/zinc/18/36/15/981183615.db2.gz YPPCKQKBUYDCJQ-NWDGAFQWSA-N 2 0 242.363 1.246 20 0 BDADRP CC(C)C[NH2+]CC(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC001325855282 981217153 /nfs/dbraw/zinc/21/71/53/981217153.db2.gz FPVNEGSSIATBFG-NSHDSACASA-N 2 0 249.358 1.890 20 0 BDADRP CCc1cc(N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)cc[nH+]1 ZINC001348564742 981395612 /nfs/dbraw/zinc/39/56/12/981395612.db2.gz CLLZIFJJHKLPIX-TUKIKUTGSA-N 2 0 245.370 1.818 20 0 BDADRP C[C@H]1CC[N@H+](Cc2ccc(N)nc2)CC[C@@H]1C[NH3+] ZINC001205638334 981397068 /nfs/dbraw/zinc/39/70/68/981397068.db2.gz MOJACHXQKLUAKC-WCQYABFASA-N 2 0 248.374 1.471 20 0 BDADRP Cc1cnc(C2=CCC[NH2+]C2)c(C[NH3+])c1 ZINC001240653242 981564875 /nfs/dbraw/zinc/56/48/75/981564875.db2.gz PCAOERPMNITLRS-UHFFFAOYSA-N 2 0 203.289 1.225 20 0 BDADRP Nc1[nH+]ccn1-c1ccc(C2=CCC[NH2+]C2)cc1 ZINC001240670721 981581276 /nfs/dbraw/zinc/58/12/76/981581276.db2.gz KNWQHYCDBPERPX-UHFFFAOYSA-N 2 0 240.310 1.831 20 0 BDADRP C[NH+](C)/C=C/c1ccncc1C1=CCC[NH2+]C1 ZINC001240671753 981583363 /nfs/dbraw/zinc/58/33/63/981583363.db2.gz XOVZIUQAYSAJRN-RMKNXTFCSA-N 2 0 229.327 1.991 20 0 BDADRP O[C@H]1CCCC[C@H]1C[NH+]1CCC2(C[NH2+]C2)CC1 ZINC001580879722 981670291 /nfs/dbraw/zinc/67/02/91/981670291.db2.gz DFWVAEBLDOIJQU-STQMWFEESA-N 2 0 238.375 1.223 20 0 BDADRP O[C@]1(C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)CC[NH2+]C1 ZINC001580880463 981676603 /nfs/dbraw/zinc/67/66/03/981676603.db2.gz PJCQONUTUHVZIB-BFHYXJOUSA-N 2 0 238.375 1.269 20 0 BDADRP O[C@@H]1CCCC[C@H]1C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001580880829 981683909 /nfs/dbraw/zinc/68/39/09/981683909.db2.gz YVXLSLRXKKHWCA-ZOBORPQBSA-N 2 0 238.375 1.079 20 0 BDADRP OC[C@@H]1CCCC[N@@H+]1C[C@H]1CCCC[NH2+]C1 ZINC001580882253 981684702 /nfs/dbraw/zinc/68/47/02/981684702.db2.gz PSCMJTHVVYCIDQ-STQMWFEESA-N 2 0 226.364 1.223 20 0 BDADRP OC[C@H]1CCC[C@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001580884460 981701702 /nfs/dbraw/zinc/70/17/02/981701702.db2.gz CDEGBJYTGRSQDP-URSGVKGYSA-N 2 0 238.375 1.268 20 0 BDADRP O[C@@H]1CCC[C@H]1[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC001580884911 981706242 /nfs/dbraw/zinc/70/62/42/981706242.db2.gz VDHNVHDJTYVYMV-HUUCEWRRSA-N 2 0 246.354 1.335 20 0 BDADRP c1cnc([C@@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)nc1 ZINC001580896846 981723043 /nfs/dbraw/zinc/72/30/43/981723043.db2.gz VKISHDWZCUHPHP-CYBMUJFWSA-N 2 0 246.358 1.266 20 0 BDADRP c1nc2n(c1C[NH2+]C[C@@H]1CCC[NH2+]CC1)CCC2 ZINC001580897002 981735024 /nfs/dbraw/zinc/73/50/24/981735024.db2.gz AUAWWWHMVZUNHT-GFCCVEGCSA-N 2 0 248.374 1.309 20 0 BDADRP [NH3+]Cc1cc(C=C2CC[NH2+]CC2)ccn1 ZINC001240876629 981925286 /nfs/dbraw/zinc/92/52/86/981925286.db2.gz AFQJIXXDTWXLLQ-UHFFFAOYSA-N 2 0 203.289 1.307 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCCC[NH3+])C1 ZINC001350959164 982137780 /nfs/dbraw/zinc/13/77/80/982137780.db2.gz WXYOZMGTIYYVGA-GHMZBOCLSA-N 3 0 213.369 1.221 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+]CC1(OC)CCCC1 ZINC001351680678 982360112 /nfs/dbraw/zinc/36/01/12/982360112.db2.gz YBZHMAYBYWVEBR-LLVKDONJSA-N 2 0 214.353 1.391 20 0 BDADRP Cc1c[nH+]c(C2=CC[N@H+](C)CC2)cc1N ZINC001241313357 982464591 /nfs/dbraw/zinc/46/45/91/982464591.db2.gz ZSVHEVHVAVMWEC-UHFFFAOYSA-N 2 0 203.289 1.691 20 0 BDADRP CNc1ccccc1C[NH2+]CCCN1CCC1 ZINC001352763202 982570779 /nfs/dbraw/zinc/57/07/79/982570779.db2.gz ZKOZIMUWRNTPQE-UHFFFAOYSA-N 2 0 233.359 1.914 20 0 BDADRP C[C@H]1CC[C@H](C[NH3+])N(Cc2c[nH+]ccc2N)C1 ZINC001205815566 982617944 /nfs/dbraw/zinc/61/79/44/982617944.db2.gz HNLAOBSGJYCCGX-CMPLNLGQSA-N 2 0 234.347 1.053 20 0 BDADRP C[C@H]1C[C@@H](NC(=O)c2ccccc2C[NH3+])CC[NH2+]1 ZINC001353632641 982943776 /nfs/dbraw/zinc/94/37/76/982943776.db2.gz DJSHVLMBEWDTFJ-JQWIXIFHSA-N 2 0 247.342 1.016 20 0 BDADRP CC(C)OCCC[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000690529118 983011605 /nfs/dbraw/zinc/01/16/05/983011605.db2.gz UIXOZSQPEZPBCX-CHWSQXEVSA-N 2 0 228.380 1.718 20 0 BDADRP CC(C)OCCC[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000690529126 983012448 /nfs/dbraw/zinc/01/24/48/983012448.db2.gz UIXOZSQPEZPBCX-STQMWFEESA-N 2 0 228.380 1.718 20 0 BDADRP C[C@H](O)C[NH2+]CCc1ccc(C[NH+](C)C)cc1 ZINC001251973007 983057125 /nfs/dbraw/zinc/05/71/25/983057125.db2.gz XUNGYOUJQOZBMF-LBPRGKRZSA-N 2 0 236.359 1.261 20 0 BDADRP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(C[NH3+])cc1 ZINC001205903642 983125561 /nfs/dbraw/zinc/12/55/61/983125561.db2.gz QMVFWKDEIPAITK-SWLSCSKDSA-N 3 0 247.386 1.705 20 0 BDADRP CC[C@@H](CNc1nccnc1C[NH3+])[NH+]1CCCC1 ZINC001354070098 983134006 /nfs/dbraw/zinc/13/40/06/983134006.db2.gz KKJWIXWNCOTRRI-NSHDSACASA-N 2 0 249.362 1.222 20 0 BDADRP C[NH+](C)[C@@H]1C[C@@H](Nc2nccnc2C[NH3+])C1(C)C ZINC001354227002 983208140 /nfs/dbraw/zinc/20/81/40/983208140.db2.gz UGMBWNOYMCLBDY-GHMZBOCLSA-N 2 0 249.362 1.076 20 0 BDADRP CCC(CC)C[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001201535805 983288587 /nfs/dbraw/zinc/28/85/87/983288587.db2.gz OXFULFZTRJGDKT-UHFFFAOYSA-N 2 0 241.423 1.602 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC001354547573 983320747 /nfs/dbraw/zinc/32/07/47/983320747.db2.gz HEDBSMAODXRJGS-SRVKXCTJSA-N 2 0 241.379 1.136 20 0 BDADRP [NH3+][C@H]1CCCCN(CC[C@@H]2CCCC[NH2+]2)C1 ZINC001205923379 983344909 /nfs/dbraw/zinc/34/49/09/983344909.db2.gz NLHOUZFXFOJFMO-STQMWFEESA-N 2 0 225.380 1.332 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CC[C@H](CO)C2)CC1 ZINC000082946476 983505832 /nfs/dbraw/zinc/50/58/32/983505832.db2.gz HMPZFULJWIQGKB-ZDUSSCGKSA-N 2 0 226.364 1.033 20 0 BDADRP CN(C)C(=O)c1cccc(C[NH2+]CCCC[NH3+])c1 ZINC001356083053 983571551 /nfs/dbraw/zinc/57/15/51/983571551.db2.gz IOABMQSVRBOKOP-UHFFFAOYSA-N 2 0 249.358 1.217 20 0 BDADRP CCCC[C@H](O)C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC001252106775 983650047 /nfs/dbraw/zinc/65/00/47/983650047.db2.gz BDHTXRHBWHAVGO-KGLIPLIRSA-N 2 0 242.407 1.859 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001357457914 983718614 /nfs/dbraw/zinc/71/86/14/983718614.db2.gz PYVXAUXAJJFLPG-SDDRHHMPSA-N 2 0 241.379 1.136 20 0 BDADRP CCC[N@H+](C)CC(=O)NCC[NH+](C)CC(C)C ZINC001492823879 984029342 /nfs/dbraw/zinc/02/93/42/984029342.db2.gz JTTJVMOSHKPXRC-UHFFFAOYSA-N 2 0 243.395 1.032 20 0 BDADRP [NH3+]Cc1ccnc(-c2ccc3c(c2)C[NH2+]C3)c1 ZINC001242671814 984039689 /nfs/dbraw/zinc/03/96/89/984039689.db2.gz LUKAQCKXWCDVRR-UHFFFAOYSA-N 2 0 225.295 1.811 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])C[NH2+][C@@H]1CC[C@H]1O ZINC001575131883 984125498 /nfs/dbraw/zinc/12/54/98/984125498.db2.gz XUIYVIXXXSLBEV-GMTAPVOTSA-N 2 0 214.353 1.253 20 0 BDADRP CC(C)(C)CC[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253384038 984139073 /nfs/dbraw/zinc/13/90/73/984139073.db2.gz MRUHRGFGUHBMLZ-NSHDSACASA-N 2 0 230.396 1.761 20 0 BDADRP C[C@H](CCNCC(C)(C)C[NH3+])[NH+]1CCCCC1 ZINC001575968300 984141795 /nfs/dbraw/zinc/14/17/95/984141795.db2.gz WNVJOYKUWSXRKG-CYBMUJFWSA-N 2 0 241.423 1.825 20 0 BDADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC001576105925 984153732 /nfs/dbraw/zinc/15/37/32/984153732.db2.gz XPOMNWWANJOKSH-CCKSWGLSSA-N 2 0 224.348 1.125 20 0 BDADRP CCC[C@H](C[NH2+]CCC1(C[NH3+])CC1)OC ZINC001577357688 984193157 /nfs/dbraw/zinc/19/31/57/984193157.db2.gz FPHQZVFTLCYWSV-LLVKDONJSA-N 2 0 214.353 1.520 20 0 BDADRP CCC[C@H]1CCCC[C@H]1[NH2+]CCOCC[NH3+] ZINC001577377755 984196787 /nfs/dbraw/zinc/19/67/87/984196787.db2.gz VNPKLRAQCWSVDL-QWHCGFSZSA-N 2 0 228.380 1.910 20 0 BDADRP CCO[C@@]1(C)C[C@H]1N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001578160955 984205822 /nfs/dbraw/zinc/20/58/22/984205822.db2.gz FVBIFUHSPIEZBB-KKOKHZNYSA-N 2 0 212.337 1.284 20 0 BDADRP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@H](C)CC(C)(C)C1 ZINC001578620858 984216111 /nfs/dbraw/zinc/21/61/11/984216111.db2.gz ADPWIDQWXMLFLZ-YPMHNXCESA-N 2 0 228.380 1.325 20 0 BDADRP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]([NH3+])C2)[C@@H]1C ZINC001578803598 984230081 /nfs/dbraw/zinc/23/00/81/984230081.db2.gz UMECZCCYLKXHRI-ROHXPCBUSA-N 2 0 240.347 1.044 20 0 BDADRP C[NH2+]Cc1ccc(-c2ccnc(C[NH3+])c2)cc1 ZINC001242992866 984356190 /nfs/dbraw/zinc/35/61/90/984356190.db2.gz ZFBXHHVPSNGTFG-UHFFFAOYSA-N 2 0 227.311 1.927 20 0 BDADRP C[C@@H]1CC[C@@H]([N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)C[NH2+]1 ZINC000718224005 984408646 /nfs/dbraw/zinc/40/86/46/984408646.db2.gz DIUKZJHPDOYRLD-IZMFDJJNSA-N 2 0 236.359 1.236 20 0 BDADRP CC[NH+]1CCC2(CN(COCCOC)C2)CC1 ZINC001275086724 984484084 /nfs/dbraw/zinc/48/40/84/984484084.db2.gz NYVZSPOAMMYIGU-UHFFFAOYSA-N 2 0 242.363 1.025 20 0 BDADRP [NH3+]CC[C@H](O)C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC001580284650 984498132 /nfs/dbraw/zinc/49/81/32/984498132.db2.gz NEAMLVBOCSXTAW-LSDHHAIUSA-N 2 0 248.370 1.307 20 0 BDADRP [NH3+]Cc1c[nH]c2ccc(C3=CC[NH2+]C3)cc12 ZINC001243114864 984584440 /nfs/dbraw/zinc/58/44/40/984584440.db2.gz GTMWQUGIDGVBBH-UHFFFAOYSA-N 2 0 213.284 1.613 20 0 BDADRP OC1(C2(C[NH2+]C[C@@H]3CCC[NH2+]C3)CC2)CCC1 ZINC001580878967 984602718 /nfs/dbraw/zinc/60/27/18/984602718.db2.gz YBCGYSSGGJTDJP-GFCCVEGCSA-N 2 0 238.375 1.271 20 0 BDADRP CC[NH+](CC)CCN(CC(C)C)CC1C[NH2+]C1 ZINC001577691037 984637633 /nfs/dbraw/zinc/63/76/33/984637633.db2.gz GKMPHRBUZXKRFG-UHFFFAOYSA-N 2 0 241.423 1.506 20 0 BDADRP CCN(CCc1cncn1C)[C@H]1CCC[NH2+]C1 ZINC001577731673 984687580 /nfs/dbraw/zinc/68/75/80/984687580.db2.gz YNMPYHMEKYHSFU-ZDUSSCGKSA-N 2 0 236.363 1.037 20 0 BDADRP CC[NH2+]C1CC[NH+](CC2(C)COC2)CC1 ZINC001577821554 984806528 /nfs/dbraw/zinc/80/65/28/984806528.db2.gz UYHQKWNIJWYRDI-UHFFFAOYSA-N 2 0 212.337 1.097 20 0 BDADRP CCOC(=O)C(CC)(CC)C[NH2+]CC1C[NH2+]C1 ZINC001577908197 984818112 /nfs/dbraw/zinc/81/81/12/984818112.db2.gz CIGTXFUTQWHORO-UHFFFAOYSA-N 2 0 242.363 1.165 20 0 BDADRP CCOC(=O)CC(C)(C)C[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC001577939925 984823111 /nfs/dbraw/zinc/82/31/11/984823111.db2.gz VWOQJDCOXLUWDW-MGCOHNPYSA-N 2 0 228.336 1.045 20 0 BDADRP CCOC(=O)CC[N@H+](C)CCC[NH2+]C1CC1 ZINC001577948700 984830003 /nfs/dbraw/zinc/83/00/03/984830003.db2.gz LHENGVHPFYBNOL-UHFFFAOYSA-N 2 0 228.336 1.014 20 0 BDADRP CCOC(=O)c1ccc(C[NH2+][C@@H](C)CC[NH3+])[nH]1 ZINC001578058899 984835582 /nfs/dbraw/zinc/83/55/82/984835582.db2.gz DRXVITXQHZLVPK-VIFPVBQESA-N 2 0 239.319 1.018 20 0 BDADRP CCO[C@@H]1CCC[C@H]([NH2+]CCOCCC[NH3+])C1 ZINC001578097930 984849667 /nfs/dbraw/zinc/84/96/67/984849667.db2.gz NKPZUIOXTZQLFZ-QWHCGFSZSA-N 2 0 244.379 1.289 20 0 BDADRP CCO[C@@H]1CCCC[C@H]1[NH2+]C1CC([NH3+])C1 ZINC001578149032 984859475 /nfs/dbraw/zinc/85/94/75/984859475.db2.gz RVWMHMBLQWVFAQ-KIDURHIOSA-N 2 0 212.337 1.413 20 0 BDADRP CCO[C@@H]1CCC[C@H]1[NH2+]C[C@]12C[C@H]1C[NH2+]C2 ZINC001578151302 984859616 /nfs/dbraw/zinc/85/96/16/984859616.db2.gz BCDUYNLSABAWBE-UMSGYPCISA-N 2 0 224.348 1.143 20 0 BDADRP CCOc1ccc(C[NH2+]CCCC[NH3+])o1 ZINC001578179332 984868156 /nfs/dbraw/zinc/86/81/56/984868156.db2.gz CFAOFGBQULUMMB-UHFFFAOYSA-N 2 0 212.293 1.507 20 0 BDADRP CC[C@@H]([NH3+])C(=O)Nc1ccc2c[nH+]cn2c1 ZINC001578224295 984873409 /nfs/dbraw/zinc/87/34/09/984873409.db2.gz QPSFGLADQWBPKS-SNVBAGLBSA-N 2 0 218.260 1.010 20 0 BDADRP CC[C@@H]1OCC[C@H]1[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578228626 984879511 /nfs/dbraw/zinc/87/95/11/984879511.db2.gz FOZNYIKCDGRFLG-QCNOEVLYSA-N 2 0 212.337 1.271 20 0 BDADRP CCc1ccc([C@@H](C)[NH2+]C[C@@H](O)CC[NH3+])cc1 ZINC001578263638 984913804 /nfs/dbraw/zinc/91/38/04/984913804.db2.gz RAPMBUZDRKABIA-RISCZKNCSA-N 2 0 236.359 1.609 20 0 BDADRP CCc1cn(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)cn1 ZINC001578283095 984924535 /nfs/dbraw/zinc/92/45/35/984924535.db2.gz YTWFNEHROATBQW-OLZOCXBDSA-N 2 0 235.331 1.214 20 0 BDADRP CCc1nc(C[NH2+]C2CC3(C[C@H]3[NH3+])C2)co1 ZINC001578293122 984948227 /nfs/dbraw/zinc/94/82/27/984948227.db2.gz UFTZKKCYLXFCQA-KRBLXSNTSA-N 2 0 221.304 1.206 20 0 BDADRP CCC[C@H](C)CC[C@@H](C)[NH2+]C[C@@H](O)C[NH3+] ZINC001257462557 985071138 /nfs/dbraw/zinc/07/11/38/985071138.db2.gz CWMZXIWPYKJFBE-TUAOUCFPSA-N 2 0 216.369 1.501 20 0 BDADRP C[N@H+](C[C@H]1CCCC[NH2+]C1)[C@@H]1CCC[C@H]1O ZINC001578451352 985085337 /nfs/dbraw/zinc/08/53/37/985085337.db2.gz IIKZDAZJNPTTIA-YNEHKIRRSA-N 2 0 226.364 1.221 20 0 BDADRP C[N@H+](C[C@H](O)c1ccccn1)CC1CC[NH2+]CC1 ZINC001578457559 985088975 /nfs/dbraw/zinc/08/89/75/985088975.db2.gz BQWZGVGZZVJFDU-AWEZNQCLSA-N 2 0 249.358 1.046 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(N)nc3)[C@H]2C1 ZINC001578520912 985143599 /nfs/dbraw/zinc/14/35/99/985143599.db2.gz IXMSFUKBSWHJTH-RWMBFGLXSA-N 2 0 246.358 1.094 20 0 BDADRP CN1CCC([NH2+]CC[C@@H]2CCC[NH2+]CC2)CC1 ZINC001578525491 985148635 /nfs/dbraw/zinc/14/86/35/985148635.db2.gz XYYFTPMCIDGUSP-CYBMUJFWSA-N 2 0 239.407 1.450 20 0 BDADRP C[N@@H+]1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1(C)C ZINC001578525305 985152063 /nfs/dbraw/zinc/15/20/63/985152063.db2.gz VFDVTFOKRXFGMA-FVCCEPFGSA-N 2 0 237.391 1.342 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CCN[C@@H]1CC[NH2+]C12CCC2 ZINC001578528717 985159035 /nfs/dbraw/zinc/15/90/35/985159035.db2.gz KOKLTRBQLWACQW-CHWSQXEVSA-N 2 0 237.391 1.345 20 0 BDADRP C[N@@H+]1CC[C@@H]2CN(Cc3ccc(C[NH3+])cc3)C[C@@H]21 ZINC001578541133 985171082 /nfs/dbraw/zinc/17/10/82/985171082.db2.gz QTNHFPLMZAKBNW-CABCVRRESA-N 2 0 245.370 1.281 20 0 BDADRP CO[C@@H]1CC[C@H](C)[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000687189788 985255541 /nfs/dbraw/zinc/25/55/41/985255541.db2.gz AUTGLLVQBHUIFF-SDDRHHMPSA-N 2 0 212.337 1.095 20 0 BDADRP C[NH2+]C[C@@H](O)C[N@@H+]1CCC[C@H](CC(C)C)C1 ZINC001578653846 985269904 /nfs/dbraw/zinc/26/99/04/985269904.db2.gz FBKYTSHSFJFTEZ-CHWSQXEVSA-N 2 0 228.380 1.325 20 0 BDADRP CO[C@@H]1CC[C@@H](C)[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000687255870 985278114 /nfs/dbraw/zinc/27/81/14/985278114.db2.gz UEWPGYTXVMDBIE-TZMCWYRMSA-N 2 0 240.391 1.875 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](CC23CC(C)(C2)OC3)C1 ZINC001578664314 985282254 /nfs/dbraw/zinc/28/22/54/985282254.db2.gz QPYQCCIJLYMKMH-HIFPTAJRSA-N 2 0 224.348 1.097 20 0 BDADRP C[NH2+]CC1CC[NH+](C[C@@](C)(OC)C2CC2)CC1 ZINC001578664155 985282528 /nfs/dbraw/zinc/28/25/28/985282528.db2.gz OZRMXZDFYOKCSK-CQSZACIVSA-N 2 0 240.391 1.733 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H]1CCC[C@H](SC)C1 ZINC001578691186 985294291 /nfs/dbraw/zinc/29/42/91/985294291.db2.gz MBKPPJYNMALGFY-MNOVXSKESA-N 2 0 216.394 1.860 20 0 BDADRP C[NH2+]CCC[NH2+]C(C)(C)[C@H]1CCCCO1 ZINC001578686841 985300145 /nfs/dbraw/zinc/30/01/45/985300145.db2.gz PBFXIOZRUJZIGT-LLVKDONJSA-N 2 0 214.353 1.533 20 0 BDADRP C[NH2+]CCN(C(=O)CC[NH2+]C(C)(C)C)C(C)C ZINC001578698952 985300743 /nfs/dbraw/zinc/30/07/43/985300743.db2.gz OWNZQEAPYQWBSJ-UHFFFAOYSA-N 2 0 243.395 1.221 20 0 BDADRP COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC001578797236 985370862 /nfs/dbraw/zinc/37/08/62/985370862.db2.gz KSPVHMZMJDZTOE-DCAQKATOSA-N 2 0 242.363 1.434 20 0 BDADRP CCOC(=O)CCC[C@@H](C)[NH2+]C[C@H](C)C[NH3+] ZINC001258113600 985421763 /nfs/dbraw/zinc/42/17/63/985421763.db2.gz WTFYIANTQHUOGH-GHMZBOCLSA-N 2 0 230.352 1.293 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@H]1COC[C@@H]1C ZINC000687975837 985435261 /nfs/dbraw/zinc/43/52/61/985435261.db2.gz VUKLGINTIAJIIU-RYUDHWBXSA-N 2 0 214.353 1.343 20 0 BDADRP CO[C@@](C)(C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(C)C1)C1CC1 ZINC001578897670 985477237 /nfs/dbraw/zinc/47/72/37/985477237.db2.gz NAPKODSKLMGCHT-RDBSUJKOSA-N 2 0 238.375 1.343 20 0 BDADRP COC1CC(C[NH2+][C@H]2CC[NH2+]C2(C)C)C1 ZINC001578935163 985533903 /nfs/dbraw/zinc/53/39/03/985533903.db2.gz AUBYNPKNTQUZQA-ILDUYXDCSA-N 2 0 212.337 1.142 20 0 BDADRP Nc1cc[nH+]c(/C=C/C2CC[NH2+]CC2)c1 ZINC001243894617 985572816 /nfs/dbraw/zinc/57/28/16/985572816.db2.gz WKCVRCWIRRLQQS-OWOJBTEDSA-N 2 0 203.289 1.677 20 0 BDADRP COC[C@@H](CC1CCOCC1)[NH2+][C@H](C)CC[NH3+] ZINC001578961428 985586100 /nfs/dbraw/zinc/58/61/00/985586100.db2.gz XONDQZJEEIUKPA-DGCLKSJQSA-N 2 0 244.379 1.145 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+]CC[C@H]1CCSC1 ZINC001579003369 985661139 /nfs/dbraw/zinc/66/11/39/985661139.db2.gz GQTLMEABQLFMOH-QWRGUYRKSA-N 2 0 232.393 1.083 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+]C[C@@H]1CCCC1(C)C ZINC001579003238 985661829 /nfs/dbraw/zinc/66/18/29/985661829.db2.gz CNVHEDWHGOGTRO-RYUDHWBXSA-N 2 0 228.380 1.766 20 0 BDADRP COCCSCCC[N@@H+]1CC[C@H](C[NH3+])C1 ZINC001579073030 985693468 /nfs/dbraw/zinc/69/34/68/985693468.db2.gz MICOBFMQAWZBBF-LLVKDONJSA-N 2 0 232.393 1.037 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC001579114624 985744444 /nfs/dbraw/zinc/74/44/44/985744444.db2.gz RNFDYJNTNQXEMI-WRWGMCAJSA-N 2 0 212.337 1.271 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001579114318 985750009 /nfs/dbraw/zinc/75/00/09/985750009.db2.gz LKVBHSITAWYRCC-XAASYNGXSA-N 2 0 210.321 1.023 20 0 BDADRP COC(=O)CC[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC001258355902 985836208 /nfs/dbraw/zinc/83/62/08/985836208.db2.gz LRXDFKYNJPPJNG-NWDGAFQWSA-N 2 0 242.363 1.402 20 0 BDADRP COc1ccncc1C[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001579319686 985836750 /nfs/dbraw/zinc/83/67/50/985836750.db2.gz UOGADXDACRYQDM-YXMLORGKSA-N 2 0 233.315 1.060 20 0 BDADRP CSC1(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC001579365889 985859294 /nfs/dbraw/zinc/85/92/94/985859294.db2.gz WGFJIERNBYCTEJ-ZYHUDNBSSA-N 2 0 226.389 1.695 20 0 BDADRP CSC1(C[NH2+]CCCCCC[NH3+])CC1 ZINC001579366117 985860599 /nfs/dbraw/zinc/86/05/99/985860599.db2.gz ZZZHOYNTPIEQIT-UHFFFAOYSA-N 2 0 216.394 1.991 20 0 BDADRP CSCC[N@@H+]1C[C@H]2CCCC[C@]2(C[NH3+])C1 ZINC001579374952 985864373 /nfs/dbraw/zinc/86/43/73/985864373.db2.gz ZVIXDOYDHIEZOT-NEPJUHHUSA-N 2 0 228.405 1.800 20 0 BDADRP C[C@@H]([NH2+]C[C@](C)(O)C[NH3+])c1cccs1 ZINC001579414750 985886043 /nfs/dbraw/zinc/88/60/43/985886043.db2.gz MVBSPZNNPGRENP-PSASIEDQSA-N 2 0 214.334 1.108 20 0 BDADRP C[C@@H]1C[NH+](CC2CC[NH2+]CC2)C[C@@H](C)C1=O ZINC001579440204 985930078 /nfs/dbraw/zinc/93/00/78/985930078.db2.gz PTPUXARPLPMBSV-GHMZBOCLSA-N 2 0 224.348 1.143 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@H]1C[NH3+] ZINC001579440696 985931465 /nfs/dbraw/zinc/93/14/65/985931465.db2.gz RUVCXDAEDIHLTM-MWLCHTKSSA-N 2 0 246.314 1.249 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCCC[C@H]1C1(O)CC1 ZINC001579454565 985941154 /nfs/dbraw/zinc/94/11/54/985941154.db2.gz LGTBRQTUUGDRHA-AGIUHOORSA-N 2 0 238.375 1.221 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@@H]([NH+](C)C)CC1 ZINC001579454452 985942493 /nfs/dbraw/zinc/94/24/93/985942493.db2.gz DBBVLGMUXBPDME-HZSPNIEDSA-N 2 0 239.407 1.258 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001579454728 985948421 /nfs/dbraw/zinc/94/84/21/985948421.db2.gz YNIHFIVCFKDTDJ-MQYQWHSLSA-N 2 0 238.375 1.343 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C2CC3(CC([NH3+])C3)C2)C[C@H](C)O1 ZINC001579486942 986010756 /nfs/dbraw/zinc/01/07/56/986010756.db2.gz RSQMBBUFUZYQAY-XMXYFXNISA-N 2 0 238.375 1.802 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C2CC3(CC([NH3+])C3)C2)C[C@H](C)O1 ZINC001579486941 986012046 /nfs/dbraw/zinc/01/20/46/986012046.db2.gz RSQMBBUFUZYQAY-MLQFUBSGSA-N 2 0 238.375 1.802 20 0 BDADRP C[C@H]1[NH2+]CC[C@@H]1[NH2+]C1CCC2(CCCO2)CC1 ZINC001579505301 986051002 /nfs/dbraw/zinc/05/10/02/986051002.db2.gz UPEMEBHYOOYHIN-ZIHBUVQPSA-N 2 0 238.375 1.818 20 0 BDADRP C[C@]12C[N@H+](CCC3C[NH2+]C3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001579509671 986056371 /nfs/dbraw/zinc/05/63/71/986056371.db2.gz CAKWXKVAAWWICO-LJISPDSOSA-N 2 0 234.387 1.964 20 0 BDADRP c1cc(C[NH2+]Cc2ccc3c[nH+]cn3c2)c[nH]1 ZINC001461563627 986083275 /nfs/dbraw/zinc/08/32/75/986083275.db2.gz CNYXPSRBCOVLES-UHFFFAOYSA-N 2 0 226.283 1.952 20 0 BDADRP Cc1cc(C[NH2+]C[C@H]2CCC[NH2+]CC2)n(C)n1 ZINC001579600733 986119280 /nfs/dbraw/zinc/11/92/80/986119280.db2.gz BPRMPNCNBAWJIJ-LBPRGKRZSA-N 2 0 236.363 1.208 20 0 BDADRP Cc1cc(CNC[C@@H]2C[NH2+]CCCO2)cc(C)n1 ZINC001579601070 986125894 /nfs/dbraw/zinc/12/58/94/986125894.db2.gz IVRCDQUTOYIYID-AWEZNQCLSA-N 2 0 249.358 1.167 20 0 BDADRP Cc1cc(Cl)ccc1C[NH2+]CC1C[NH2+]C1 ZINC001579604328 986128585 /nfs/dbraw/zinc/12/85/85/986128585.db2.gz HRVNWTLHDDRBFK-UHFFFAOYSA-N 2 0 224.735 1.957 20 0 BDADRP Cc1ccc(C[C@H](C)[NH2+]C[C@@]2(O)CC[NH2+]C2)cc1 ZINC001579684734 986175567 /nfs/dbraw/zinc/17/55/67/986175567.db2.gz QVSKFKBDVYEDMW-DZGCQCFKSA-N 2 0 248.370 1.240 20 0 BDADRP Cc1ccc(C[NH2+]C[C@H]2CCC[NH2+]CC2)cn1 ZINC001579697056 986184745 /nfs/dbraw/zinc/18/47/45/986184745.db2.gz UYSKPIIPTSWCEX-ZDUSSCGKSA-N 2 0 233.359 1.869 20 0 BDADRP Cc1cccc(CC[NH2+]C2CC3(C[C@H]3[NH3+])C2)n1 ZINC001579761201 986218677 /nfs/dbraw/zinc/21/86/77/986218677.db2.gz LLQKWQUBLNBDFC-ROKHWSDSSA-N 2 0 231.343 1.402 20 0 BDADRP Cc1cnc([C@@H](C)[N@H+](C)CC2CC[NH2+]CC2)o1 ZINC001579818776 986242600 /nfs/dbraw/zinc/24/26/00/986242600.db2.gz FUCBRAPAHWRLBD-LLVKDONJSA-N 2 0 237.347 1.975 20 0 BDADRP Cc1cn(C)nc1C[NH2+][C@H]1CC[C@H]([NH3+])CC1 ZINC001579819423 986242658 /nfs/dbraw/zinc/24/26/58/986242658.db2.gz WFWUUKLUVSGVKT-XYPYZODXSA-N 2 0 222.336 1.088 20 0 BDADRP Cc1cn(C)nc1C[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001579818864 986243893 /nfs/dbraw/zinc/24/38/93/986243893.db2.gz SIJPGIJPGJAXPB-CLLJXQQHSA-N 2 0 248.374 1.349 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CC[C@@H]([C@H](C)O)C2)CC1 ZINC001462002666 986258368 /nfs/dbraw/zinc/25/83/68/986258368.db2.gz PFTBOIVMLCPZHY-GXTWGEPZSA-N 2 0 240.391 1.421 20 0 BDADRP Cc1nccnc1[C@@H](C)[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001579882586 986301416 /nfs/dbraw/zinc/30/14/16/986301416.db2.gz AQDZXCMIKXKIKS-YLXHPXFOSA-N 2 0 232.331 1.315 20 0 BDADRP Cc1nnc([C@@H](C)[NH2+]C2CC3(C[C@H]3[NH3+])C2)s1 ZINC001579897037 986315027 /nfs/dbraw/zinc/31/50/27/986315027.db2.gz KVBNPHCYCSNJFG-JPRQMENOSA-N 2 0 238.360 1.377 20 0 BDADRP Cc1nnc([C@H](C)[NH2+]C[C@H]2CC[C@@H]([NH3+])C2)o1 ZINC001579896604 986315550 /nfs/dbraw/zinc/31/55/50/986315550.db2.gz FOCZXEMFUMKFHT-UJNFCWOMSA-N 2 0 224.308 1.156 20 0 BDADRP Cc1nnsc1C[NH2+]C1CC2(CC([NH3+])C2)C1 ZINC001579915192 986330066 /nfs/dbraw/zinc/33/00/66/986330066.db2.gz HFQVJYYXLOGXFA-UHFFFAOYSA-N 2 0 238.360 1.206 20 0 BDADRP Cc1noc([C@@H]([NH2+]CCC2C[NH2+]C2)C(C)C)n1 ZINC001579917090 986338948 /nfs/dbraw/zinc/33/89/48/986338948.db2.gz NSXAOPALTJBNQX-NSHDSACASA-N 2 0 238.335 1.274 20 0 BDADRP Cc1nocc1C[NH2+]C1CC2(CC([NH3+])C2)C1 ZINC001579923053 986344202 /nfs/dbraw/zinc/34/42/02/986344202.db2.gz DWWXMSOXFMRSSG-UHFFFAOYSA-N 2 0 221.304 1.343 20 0 BDADRP Cn1cc([C@@H]2C[C@H]2C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)cn1 ZINC001579970476 986373706 /nfs/dbraw/zinc/37/37/06/986373706.db2.gz XUGJOZTZUOHTEN-RYDUCSDGSA-N 2 0 248.374 1.239 20 0 BDADRP CCN1CCC[C@H]([NH2+]CCC2CC(OC)C2)C1 ZINC001462430544 986386751 /nfs/dbraw/zinc/38/67/51/986386751.db2.gz YZCLDRCQAXHGTI-MOKVOYLWSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cncn1C ZINC000384350124 986396949 /nfs/dbraw/zinc/39/69/49/986396949.db2.gz DPHZINFVYJXQNB-JTQLQIEISA-N 2 0 210.325 1.027 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cncn1C ZINC000384350125 986397217 /nfs/dbraw/zinc/39/72/17/986397217.db2.gz DPHZINFVYJXQNB-SNVBAGLBSA-N 2 0 210.325 1.027 20 0 BDADRP Cn1ncc(C[NH3+])c1C[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC001580002151 986397702 /nfs/dbraw/zinc/39/77/02/986397702.db2.gz HPSBABXWRIJADI-AAEUAGOBSA-N 2 0 248.374 1.405 20 0 BDADRP C[C@@H]1C[C@H](C[NH+]2CCC(F)CC2)CC[NH2+]1 ZINC000689435794 986602008 /nfs/dbraw/zinc/60/20/08/986602008.db2.gz MFBWXVYRCGTAQB-GHMZBOCLSA-N 2 0 214.328 1.808 20 0 BDADRP [NH3+]C1CC2(C1)CC([NH2+][C@@H]1CCCOC1)C2 ZINC001580164598 986608880 /nfs/dbraw/zinc/60/88/80/986608880.db2.gz AHMBMCRZBPBFGO-HPDCSRJSSA-N 2 0 210.321 1.025 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+]CCc1ccns1)C2 ZINC001580164374 986635117 /nfs/dbraw/zinc/63/51/17/986635117.db2.gz HUQRJWYYKPBQEX-LDGBHUKOSA-N 2 0 223.345 1.155 20 0 BDADRP [NH3+]C1CC2(C1)CC([NH2+][C@@H]1CCCOCC1)C2 ZINC001580165141 986636264 /nfs/dbraw/zinc/63/62/64/986636264.db2.gz FSCQUCFUZSUAFT-QVBJCFTNSA-N 2 0 224.348 1.415 20 0 BDADRP [NH3+]C1CC2(C1)CC([NH2+][C@@H]1CCSC1)C2 ZINC001580166597 986644640 /nfs/dbraw/zinc/64/46/40/986644640.db2.gz SHISHIMDAHZWBQ-XJPQQVLCSA-N 2 0 212.362 1.351 20 0 BDADRP [NH3+]CC1(C[NH2+][C@@H](CCO)Cc2ccccc2)CC1 ZINC001580243311 986696620 /nfs/dbraw/zinc/69/66/20/986696620.db2.gz BJOXTIBYFLTBGE-AWEZNQCLSA-N 2 0 248.370 1.309 20 0 BDADRP [NH3+]C[C@@]12CN(Cc3ncccn3)C[C@@H]1CCCC2 ZINC001580256778 986712371 /nfs/dbraw/zinc/71/23/71/986712371.db2.gz XUVAZIJGUPPUOE-JSGCOSHPSA-N 2 0 246.358 1.428 20 0 BDADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cc[nH]c(=O)c1)C2 ZINC001580335066 986777969 /nfs/dbraw/zinc/77/79/69/986777969.db2.gz VKXIAORQQDAJHD-JSGCOSHPSA-N 2 0 247.342 1.348 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@@H](O)C23CCCC3)C1 ZINC001580387519 986812614 /nfs/dbraw/zinc/81/26/14/986812614.db2.gz KHDCPHCTPHRUTP-YNEHKIRRSA-N 2 0 238.375 1.493 20 0 BDADRP [NH3+][C@H]1C[C@@H](C(=O)Nc2ccc3c[nH+]cn3c2)C1 ZINC001580418839 986835762 /nfs/dbraw/zinc/83/57/62/986835762.db2.gz GNZGYECGKVZYFN-DTORHVGOSA-N 2 0 230.271 1.010 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cccc3nsnc32)C1 ZINC001580423183 986842046 /nfs/dbraw/zinc/84/20/46/986842046.db2.gz SJCWORBLDUYVRM-DTORHVGOSA-N 2 0 234.328 1.271 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)C1 ZINC001580423031 986842402 /nfs/dbraw/zinc/84/24/02/986842402.db2.gz MOKDWOPEJYVHBV-MLGHIDQZSA-N 2 0 224.348 1.271 20 0 BDADRP CCN([C@H]1CC[N@H+](C)C1)C1CC[NH+](C)CC1 ZINC001255435682 986956921 /nfs/dbraw/zinc/95/69/21/986956921.db2.gz KLCSYHNTEZGULD-ZDUSSCGKSA-N 2 0 225.380 1.107 20 0 BDADRP C[N@@H+]1CC[C@@H](n2ccnc2[C@H]2CCC[NH2+]C2)C1 ZINC001255439338 986962681 /nfs/dbraw/zinc/96/26/81/986962681.db2.gz SQJOOEPSFAMHFI-NWDGAFQWSA-N 2 0 234.347 1.227 20 0 BDADRP C[N@@H+]1CC[C@@H](n2ccnc2[C@@H]2CCC[NH2+]C2)C1 ZINC001255439340 986963497 /nfs/dbraw/zinc/96/34/97/986963497.db2.gz SQJOOEPSFAMHFI-VXGBXAGGSA-N 2 0 234.347 1.227 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CC[C@@H](O)C1 ZINC001255954065 987096532 /nfs/dbraw/zinc/09/65/32/987096532.db2.gz AAVYNAQPEUXXEN-VXGBXAGGSA-N 2 0 214.353 1.173 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[N@@H+]1C[C@H](O)C[C@H]1C ZINC001255955735 987097749 /nfs/dbraw/zinc/09/77/49/987097749.db2.gz DBFAPAASYGHHGF-YNEHKIRRSA-N 2 0 228.380 1.562 20 0 BDADRP c1nn(C2CC[NH+](C3CC3)CC2)c2c1C[NH2+]CC2 ZINC001256075818 987127882 /nfs/dbraw/zinc/12/78/82/987127882.db2.gz RPSFJFNDJQNUMX-UHFFFAOYSA-N 2 0 246.358 1.328 20 0 BDADRP CCC[C@H](O)C[NH2+]CC1([NH3+])CCCC1 ZINC001245974547 987249174 /nfs/dbraw/zinc/24/91/74/987249174.db2.gz LTYOGHWLTPKEJQ-JTQLQIEISA-N 2 0 200.326 1.009 20 0 BDADRP CCCCC[C@H](O)C[NH2+]C[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001245974334 987252743 /nfs/dbraw/zinc/25/27/43/987252743.db2.gz MFLLGOSXYJEBBV-MCIONIFRSA-N 2 0 242.407 1.905 20 0 BDADRP CC[C@@H](O)C[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001245981632 987256708 /nfs/dbraw/zinc/25/67/08/987256708.db2.gz QEHKNQFZKVIBKO-NWDGAFQWSA-N 2 0 226.364 1.269 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1C[NH2+]C[C@@H](O)C(C)(C)C ZINC001245984596 987267429 /nfs/dbraw/zinc/26/74/29/987267429.db2.gz QYBRELLAURCCIZ-SDDRHHMPSA-N 2 0 228.380 1.371 20 0 BDADRP CCCCC[C@H](O)C[NH2+]C[C@@H]1CC[NH2+]C[C@@H]1F ZINC001246012230 987288967 /nfs/dbraw/zinc/28/89/67/987288967.db2.gz MCKBGPOMFSBOCH-AVGNSLFASA-N 2 0 246.370 1.465 20 0 BDADRP CC(C)(C)[C@H](O)C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001246016568 987292186 /nfs/dbraw/zinc/29/21/86/987292186.db2.gz LZVRSJDHEDJVEH-WDEREUQCSA-N 2 0 214.353 1.207 20 0 BDADRP CCCC[C@@H](O)C[NH+]1CCC(C[NH3+])CC1 ZINC001246014312 987294119 /nfs/dbraw/zinc/29/41/19/987294119.db2.gz ASZHWMQZNBLQGB-GFCCVEGCSA-N 2 0 214.353 1.208 20 0 BDADRP [NH3+][C@H]1CCC[N@H+](C[C@H](O)c2ccccc2)CC1 ZINC001246017019 987300466 /nfs/dbraw/zinc/30/04/66/987300466.db2.gz PRHQDNGGTXOQGI-KBPBESRZSA-N 2 0 234.343 1.533 20 0 BDADRP CC(C)(C)[C@@H](O)C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246020800 987307578 /nfs/dbraw/zinc/30/75/78/987307578.db2.gz MEYMLBJDSSUWOV-WCQYABFASA-N 2 0 246.370 1.546 20 0 BDADRP CCCC[C@H](O)C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246020605 987308176 /nfs/dbraw/zinc/30/81/76/987308176.db2.gz IWHJAHBYATZLGE-KBPBESRZSA-N 2 0 242.407 1.988 20 0 BDADRP CC(C)[C@@H](O)C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246021752 987311211 /nfs/dbraw/zinc/31/12/11/987311211.db2.gz OYTNRZQRHOAPCG-RYUDHWBXSA-N 2 0 232.343 1.156 20 0 BDADRP CC[C@H](O)CC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693704872 987312874 /nfs/dbraw/zinc/31/28/74/987312874.db2.gz MBXLVFHTGRAIJT-QNWHQSFQSA-N 2 0 240.391 1.514 20 0 BDADRP CC[C@@H](O)C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246022893 987313533 /nfs/dbraw/zinc/31/35/33/987313533.db2.gz PWUXJIQTMQKBJA-VXGBXAGGSA-N 2 0 214.353 1.208 20 0 BDADRP C[C@H]([NH3+])CN(C)Cc1ccc2c[nH]nc2c1 ZINC000694060243 987321671 /nfs/dbraw/zinc/32/16/71/987321671.db2.gz MPGJDITYEHEHNL-VIFPVBQESA-N 2 0 218.304 1.342 20 0 BDADRP CC(C)(C)[C@@H](O)C[NH+]1CCC(F)(C[NH3+])CC1 ZINC001246031832 987328580 /nfs/dbraw/zinc/32/85/80/987328580.db2.gz WXUKMJJHALCLOC-JTQLQIEISA-N 2 0 232.343 1.156 20 0 BDADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)C1(Cl)CC1 ZINC000695683954 987334063 /nfs/dbraw/zinc/33/40/63/987334063.db2.gz FALFSLRHXOUEGN-SNVBAGLBSA-N 2 0 228.767 1.998 20 0 BDADRP CC[C@@H](O)C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001246034746 987338525 /nfs/dbraw/zinc/33/85/25/987338525.db2.gz RYWDXPZJEROLFY-KGLIPLIRSA-N 2 0 240.391 1.611 20 0 BDADRP CCC[C@H](O)C[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001246059118 987348934 /nfs/dbraw/zinc/34/89/34/987348934.db2.gz ICXCHZKQUCHEMP-RWMBFGLXSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246063866 987354239 /nfs/dbraw/zinc/35/42/39/987354239.db2.gz DIJOUAQZBCIRTM-AGIUHOORSA-N 2 0 237.391 1.249 20 0 BDADRP C1[NH2+]CC12C[C@H]([NH2+]C1CCCCC1)CCN2 ZINC001246068157 987356049 /nfs/dbraw/zinc/35/60/49/987356049.db2.gz YZDNGCQGMZIMMO-GFCCVEGCSA-N 2 0 223.364 1.003 20 0 BDADRP Fc1cccc(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)c1 ZINC001246071265 987357307 /nfs/dbraw/zinc/35/73/07/987357307.db2.gz KOFCOMXZZQHWNN-CYBMUJFWSA-N 2 0 249.333 1.009 20 0 BDADRP Cc1ccc(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)cc1 ZINC001246073079 987359602 /nfs/dbraw/zinc/35/96/02/987359602.db2.gz SZTVCJKMFXPJLE-AWEZNQCLSA-N 2 0 245.370 1.179 20 0 BDADRP CCCC[C@H]1C[C@H](NC2CC[NH2+]CC2)CC[NH2+]1 ZINC001246076121 987362247 /nfs/dbraw/zinc/36/22/47/987362247.db2.gz ASFZHSPANCQWLC-UONOGXRCSA-N 2 0 239.407 1.639 20 0 BDADRP CSCC[C@@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC001246074052 987364038 /nfs/dbraw/zinc/36/40/38/987364038.db2.gz BOXIWXWNBNMWTM-SNVBAGLBSA-N 2 0 216.394 1.989 20 0 BDADRP C[C@@H](CC[NH2+]CC1=CCCOC1)[NH+](C)C ZINC000697827176 987364910 /nfs/dbraw/zinc/36/49/10/987364910.db2.gz UHRDJDYIMAKNIP-NSHDSACASA-N 2 0 212.337 1.263 20 0 BDADRP [NH3+]C[C@H]1CCC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000697862478 987365280 /nfs/dbraw/zinc/36/52/80/987365280.db2.gz MRUMHBDZVVHTKG-FVCCEPFGSA-N 2 0 208.349 1.703 20 0 BDADRP C[C@@H]1CC(NCC2([NH3+])CCCC2)C[C@@H](C)[NH2+]1 ZINC001246077347 987366408 /nfs/dbraw/zinc/36/64/08/987366408.db2.gz UWXBGCKMQDZNTE-GHMZBOCLSA-N 2 0 225.380 1.377 20 0 BDADRP [NH3+]C1(C[NH2+]C2C[C@H]3CC[C@@H](C2)O3)CCCC1 ZINC001246077756 987366754 /nfs/dbraw/zinc/36/67/54/987366754.db2.gz ZDOBTUOYDYLODI-YOGCLGLASA-N 2 0 224.348 1.558 20 0 BDADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CC2([NH3+])CCCC2)C1 ZINC001246077697 987367511 /nfs/dbraw/zinc/36/75/11/987367511.db2.gz XJBQZZUFIDFASY-MNOVXSKESA-N 2 0 240.347 1.189 20 0 BDADRP CC(C)(C)[C@@H]1C[C@@H](NC2CC[NH2+]CC2)CC[NH2+]1 ZINC001246077997 987368451 /nfs/dbraw/zinc/36/84/51/987368451.db2.gz LXYWGQLYSNSYLR-STQMWFEESA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H]1CC(NC[C@H]2CC[C@H](C)[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC001246078323 987368697 /nfs/dbraw/zinc/36/86/97/987368697.db2.gz AHRGTXPTCKMFOK-LOWDOPEQSA-N 2 0 239.407 1.493 20 0 BDADRP CCOC(=O)CCC[C@@H](C)[NH2+]C1CC[NH2+]CC1 ZINC001246077190 987369400 /nfs/dbraw/zinc/36/94/00/987369400.db2.gz IFVPNTRKJSBQMY-LLVKDONJSA-N 2 0 242.363 1.450 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC1CC[NH2+]CC1)C2 ZINC001246077586 987369713 /nfs/dbraw/zinc/36/97/13/987369713.db2.gz JGAUGWKAAWEJHW-ZSOGYDGISA-N 2 0 237.391 1.343 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)C1CC[NH2+]CC1 ZINC000400760082 987370319 /nfs/dbraw/zinc/37/03/19/987370319.db2.gz XXWCFBGTLKHSPY-HOSYDEDBSA-N 2 0 212.337 1.142 20 0 BDADRP CC[C@H]1C[C@H](N[C@H]2CC[C@H](C)[NH2+]C2)CC[NH2+]1 ZINC001246080712 987372429 /nfs/dbraw/zinc/37/24/29/987372429.db2.gz NTOZMNZDOXKJQD-RVMXOQNASA-N 2 0 225.380 1.247 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C2(C)CCOCC2)CC[NH2+]1 ZINC001246088226 987390525 /nfs/dbraw/zinc/39/05/25/987390525.db2.gz SPUUQGMZBAXMQM-MNOVXSKESA-N 2 0 212.337 1.286 20 0 BDADRP CC(C)[C@@H]1C[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246090321 987392684 /nfs/dbraw/zinc/39/26/84/987392684.db2.gz WHSSQZNXHROGPA-DGAVXFQQSA-N 2 0 239.407 1.623 20 0 BDADRP COC(=O)CC[C@H](C)[NH2+]C[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246089407 987393025 /nfs/dbraw/zinc/39/30/25/987393025.db2.gz CUGLZIUCMOGRMQ-SRVKXCTJSA-N 2 0 242.363 1.306 20 0 BDADRP CC[C@H]1CC[C@@H]([NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)C1 ZINC001246089386 987393070 /nfs/dbraw/zinc/39/30/70/987393070.db2.gz PNNUVZNVPPVEHU-QNWHQSFQSA-N 2 0 244.354 1.217 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246090181 987395302 /nfs/dbraw/zinc/39/53/02/987395302.db2.gz FLYLWKIZVYGZKI-XDQVBPFNSA-N 2 0 240.391 1.922 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[NH2+]C2)CCO1 ZINC001246091250 987396687 /nfs/dbraw/zinc/39/66/87/987396687.db2.gz NRBVWISANANETJ-YNEHKIRRSA-N 2 0 226.364 1.676 20 0 BDADRP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](O)C2)CC[NH2+]1 ZINC001246095745 987404509 /nfs/dbraw/zinc/40/45/09/987404509.db2.gz RNXMAAPKBCVGHC-IRCOFANPSA-N 2 0 212.337 1.020 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](C[NH2+]C2CCSCC2)C1 ZINC001246095369 987406487 /nfs/dbraw/zinc/40/64/87/987406487.db2.gz BKFYXHVRWDDBAX-QWRGUYRKSA-N 2 0 228.405 1.717 20 0 BDADRP CCSC[C@H](C)[NH2+]C[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001246097707 987408707 /nfs/dbraw/zinc/40/87/07/987408707.db2.gz IAXJUPPMZHEIGX-SDDRHHMPSA-N 2 0 230.421 1.963 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CCCC[NH2+]C1 ZINC001246097327 987409588 /nfs/dbraw/zinc/40/95/88/987409588.db2.gz OCZQSWRTCITVME-UPJWGTAASA-N 2 0 225.380 1.106 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+][C@H]2CCSC2)C[NH2+]1 ZINC001246096933 987410416 /nfs/dbraw/zinc/41/04/16/987410416.db2.gz NREXXPBURSWZDH-MXWKQRLJSA-N 2 0 214.378 1.470 20 0 BDADRP C[NH2+]C1CCC([NH2+]C[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246098921 987412554 /nfs/dbraw/zinc/41/25/54/987412554.db2.gz QKWOHQLURWQQFA-IWMBGFJWSA-N 3 0 239.407 1.495 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](C[NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC001246099094 987413318 /nfs/dbraw/zinc/41/33/18/987413318.db2.gz LMIWZIGWZSCNRM-XQQFMLRXSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](C[NH2+][C@H]2CCSC2)C1 ZINC001246099706 987419603 /nfs/dbraw/zinc/41/96/03/987419603.db2.gz MLJXIBHGBVYXIO-AXFHLTTASA-N 2 0 214.378 1.327 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@H]2F)CC[NH2+]1 ZINC001246101018 987425472 /nfs/dbraw/zinc/42/54/72/987425472.db2.gz YNGZDBQYGCWQOJ-NNYUYHANSA-N 2 0 214.328 1.855 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](C[NH2+][C@@H]2CCCOCC2)C1 ZINC001246103992 987429012 /nfs/dbraw/zinc/42/90/12/987429012.db2.gz UDPRNJVMHJZGSU-RWMBFGLXSA-N 2 0 226.364 1.391 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+][C@H]2C)CCO1 ZINC001246105712 987431559 /nfs/dbraw/zinc/43/15/59/987431559.db2.gz CFZPLKIIQONHBH-REWJHTLYSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246106678 987432569 /nfs/dbraw/zinc/43/25/69/987432569.db2.gz DXKKBSVZILMTNH-CSHRUCKSSA-N 2 0 237.391 1.247 20 0 BDADRP C[C@H](Cc1ccncc1)[NH2+]C[C@H]1CCC[NH2+][C@H]1C ZINC001246106136 987432634 /nfs/dbraw/zinc/43/26/34/987432634.db2.gz DEQDDNVDGQDWQX-VNHYZAJKSA-N 2 0 247.386 1.990 20 0 BDADRP C[C@@H]1CC([NH2+]C[C@@H]2C[NH2+]CC[C@H]2C)C[C@@H](C)O1 ZINC001246109200 987441760 /nfs/dbraw/zinc/44/17/60/987441760.db2.gz FWCVVOBSPXNJJQ-LPWJVIDDSA-N 2 0 240.391 1.778 20 0 BDADRP C[C@H](Cc1ccncc1)NC[C@@H]1CC[C@@H](C)C[NH2+]1 ZINC001246111243 987444866 /nfs/dbraw/zinc/44/48/66/987444866.db2.gz IOTYWSMDYGJSMG-NFAWXSAZSA-N 2 0 247.386 1.990 20 0 BDADRP CCOCC[C@@H](C)[NH2+][C@H]1CCNC[C@@H]1F ZINC001246112133 987445833 /nfs/dbraw/zinc/44/58/33/987445833.db2.gz PVEKIOMWNXCFIQ-VWYCJHECSA-N 2 0 218.316 1.091 20 0 BDADRP C[C@@H](Cc1ccncc1)NC[C@@H]1CC[C@@H](C)C[NH2+]1 ZINC001246111242 987446127 /nfs/dbraw/zinc/44/61/27/987446127.db2.gz IOTYWSMDYGJSMG-IPYPFGDCSA-N 2 0 247.386 1.990 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCC2CC[NH2+]CC2)CC[NH2+]1 ZINC001246112399 987446782 /nfs/dbraw/zinc/44/67/82/987446782.db2.gz SFLFPXDBOMHRCL-AAEUAGOBSA-N 2 0 225.380 1.106 20 0 BDADRP C[C@@H]1CC[C@H](N2C[C@@H]([NH3+])Cc3ccccc32)C[NH2+]1 ZINC001246112289 987447026 /nfs/dbraw/zinc/44/70/26/987447026.db2.gz GDGKSDMFFOQDJV-XBFCOCLRSA-N 2 0 245.370 1.517 20 0 BDADRP CCCC[C@H]1C[C@@H](N[C@H]2C[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC001246113580 987450282 /nfs/dbraw/zinc/45/02/82/987450282.db2.gz DDRBFCDBDCVHSA-XUXIUFHCSA-N 2 0 239.407 1.495 20 0 BDADRP CCCC[C@@H]1C[C@H](N[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC001246115821 987453253 /nfs/dbraw/zinc/45/32/53/987453253.db2.gz JJAXGCRBWJQIOM-JHJVBQTASA-N 2 0 225.380 1.249 20 0 BDADRP C[C@H]1C[C@@H](NC[C@@H]2CCC[NH2+][C@H]2C)CC[NH2+]1 ZINC001246114459 987454365 /nfs/dbraw/zinc/45/43/65/987454365.db2.gz WQOOWWMCIZZXSF-CYDGBPFRSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1CC[C@@H](CN[C@@H]2CCC[N@H+](C)CC2)[NH2+]C1 ZINC001246115395 987455148 /nfs/dbraw/zinc/45/51/48/987455148.db2.gz RRBZKYGNFZUMRG-MCIONIFRSA-N 2 0 239.407 1.448 20 0 BDADRP CCOCC[C@H](C)[NH2+]C[C@@H]1C[NH2+]CC[C@H]1C ZINC001246117756 987457667 /nfs/dbraw/zinc/45/76/67/987457667.db2.gz CUCCYKXNRTVAAC-AGIUHOORSA-N 2 0 228.380 1.637 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1CN[C@@H]1CCC[N@H+](C)CC1 ZINC001246117232 987460818 /nfs/dbraw/zinc/46/08/18/987460818.db2.gz YIMOREFDAULWJE-HZSPNIEDSA-N 2 0 239.407 1.306 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1C[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC001246118659 987465087 /nfs/dbraw/zinc/46/50/87/987465087.db2.gz HVCNSPWYBJPERW-MROQNXINSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(N)c2)CC[NH2+]1 ZINC001246121366 987469460 /nfs/dbraw/zinc/46/94/60/987469460.db2.gz XVKQUWLEHINBRP-MFKMUULPSA-N 2 0 219.332 1.499 20 0 BDADRP C[C@@H]([NH3+])c1nc2ccccc2n1[C@H]1CCC[NH2+]C1 ZINC001246121888 987469959 /nfs/dbraw/zinc/46/99/59/987469959.db2.gz UYTBTCKRFYUYIB-MNOVXSKESA-N 2 0 244.342 1.981 20 0 BDADRP CC1(N[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C[NH2+]C1 ZINC001246127727 987478238 /nfs/dbraw/zinc/47/82/38/987478238.db2.gz MXFXUYZCVVKRFY-KGLIPLIRSA-N 2 0 245.370 1.431 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N[C@@H]1C[NH2+]CC12CC2 ZINC001246130683 987481185 /nfs/dbraw/zinc/48/11/85/987481185.db2.gz JDWVHHABCCVPSJ-CHWSQXEVSA-N 2 0 239.407 1.448 20 0 BDADRP CCCCC[C@@H](C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@@H]1COC2 ZINC001246151076 987511666 /nfs/dbraw/zinc/51/16/66/987511666.db2.gz VTRYNLPCUWXSEY-MQYQWHSLSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H]1C[C@H](Nc2ccc(CC[NH3+])cc2)CC[NH2+]1 ZINC001246160240 987520084 /nfs/dbraw/zinc/52/00/84/987520084.db2.gz DKLCULVKCBZYLV-BXUZGUMPSA-N 2 0 233.359 1.740 20 0 BDADRP C[C@H]1C[C@H](Nc2ccc(CC[NH3+])cc2)CC[NH2+]1 ZINC001246160243 987521674 /nfs/dbraw/zinc/52/16/74/987521674.db2.gz DKLCULVKCBZYLV-SMDDNHRTSA-N 2 0 233.359 1.740 20 0 BDADRP C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@@H]1CCCC[NH2+]1 ZINC001246167759 987525600 /nfs/dbraw/zinc/52/56/00/987525600.db2.gz FZIZPCLNCRLWTE-RFQIPJPRSA-N 2 0 237.391 1.391 20 0 BDADRP c1ccc(C[NH2+]CCN[C@@H]2CCCC[NH2+]C2)cc1 ZINC001246165771 987527461 /nfs/dbraw/zinc/52/74/61/987527461.db2.gz LROXCAJMGVTEIK-OAHLLOKOSA-N 2 0 247.386 1.508 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCCCCC[NH3+])CC[NH2+]1 ZINC001246163467 987528619 /nfs/dbraw/zinc/52/86/19/987528619.db2.gz IWGKPVQIODYRKS-VXGBXAGGSA-N 3 0 213.369 1.236 20 0 BDADRP C[C@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C(C)(C)C ZINC001246169283 987533935 /nfs/dbraw/zinc/53/39/35/987533935.db2.gz CMXVUMWJIVMEMX-QWRGUYRKSA-N 2 0 225.380 1.105 20 0 BDADRP CC1(C)C[C@@H](NC[C@@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001246172212 987538284 /nfs/dbraw/zinc/53/82/84/987538284.db2.gz ZWJNYRLQTRVGLR-RYUDHWBXSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCCc2ccncc2)CC[NH2+]1 ZINC001246176247 987541207 /nfs/dbraw/zinc/54/12/07/987541207.db2.gz NUQDSWOGAVPHQO-GXTWGEPZSA-N 2 0 233.359 1.744 20 0 BDADRP CCCN(CCC[NH3+])[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246179732 987549245 /nfs/dbraw/zinc/54/92/45/987549245.db2.gz RIPQYUKTGJBPIQ-NEPJUHHUSA-N 2 0 213.369 1.188 20 0 BDADRP [NH3+]Cc1cccc(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001246179916 987549861 /nfs/dbraw/zinc/54/98/61/987549861.db2.gz UCEQNNIAXIWCSL-PBWFPOADSA-N 2 0 231.343 1.840 20 0 BDADRP C[C@H]1CC[C@H](Nc2cccc(C[NH3+])c2)C[NH2+]1 ZINC001246179385 987550223 /nfs/dbraw/zinc/55/02/23/987550223.db2.gz PWKJOWFEQDKHCO-GWCFXTLKSA-N 2 0 219.332 1.698 20 0 BDADRP Cc1cnc(CC[NH3+])n1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246181635 987555980 /nfs/dbraw/zinc/55/59/80/987555980.db2.gz VSJLEKGQVIKRGX-FOSCPWQOSA-N 2 0 234.347 1.148 20 0 BDADRP CC[C@@H]1C[C@@H](NC[C@H]2CCC[NH2+]2)C[C@H](CC)[NH2+]1 ZINC001246186002 987559854 /nfs/dbraw/zinc/55/98/54/987559854.db2.gz CYSSONGYVXUSFR-XJFOESAGSA-N 2 0 239.407 1.637 20 0 BDADRP C[C@H]1CC[C@H](N[C@@H]2CCCC[C@@H]2O)C[NH2+]1 ZINC001246186189 987565505 /nfs/dbraw/zinc/56/55/05/987565505.db2.gz GEPYCCGYJNPTOE-YFKTTZPYSA-N 2 0 212.337 1.020 20 0 BDADRP CCOC(=O)CCC[C@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC001246186929 987567136 /nfs/dbraw/zinc/56/71/36/987567136.db2.gz JHGMOVAXPANMKJ-NWDGAFQWSA-N 2 0 242.363 1.450 20 0 BDADRP [NH3+]Cc1cnc2c(ccn2[C@H]2CCC[NH2+]C2)c1 ZINC001246189176 987572128 /nfs/dbraw/zinc/57/21/28/987572128.db2.gz MEBQEUYRPXLEGF-LBPRGKRZSA-N 2 0 230.315 1.420 20 0 BDADRP CC(C)[C@@H]1C[C@H](N[C@]2(C)CCC[NH2+]C2)CC[NH2+]1 ZINC001246191165 987577788 /nfs/dbraw/zinc/57/77/88/987577788.db2.gz UZBGYFHMQKEDSL-HZSPNIEDSA-N 2 0 239.407 1.495 20 0 BDADRP CC[C@@H](C[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1)OC ZINC001473844082 987582435 /nfs/dbraw/zinc/58/24/35/987582435.db2.gz TZTNIYBNPTYWQI-AGIUHOORSA-N 2 0 226.364 1.295 20 0 BDADRP CCCC(CCC)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246198281 987591415 /nfs/dbraw/zinc/59/14/15/987591415.db2.gz OPZOLXNRWXNNLW-CYBMUJFWSA-N 2 0 239.407 1.639 20 0 BDADRP C[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(O)cc1 ZINC001246203544 987598895 /nfs/dbraw/zinc/59/88/95/987598895.db2.gz MIDMDEMUUYQEIZ-JTQLQIEISA-N 2 0 220.316 1.795 20 0 BDADRP CC[C@@H](C)N[C@@H](CCC[NH3+])C(=O)OC(C)(C)C ZINC001246207337 987601975 /nfs/dbraw/zinc/60/19/75/987601975.db2.gz OWWZLDDFRTWNSF-MNOVXSKESA-N 2 0 244.379 1.824 20 0 BDADRP CCC1(N[C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)C[NH2+]C1 ZINC001246226242 987621910 /nfs/dbraw/zinc/62/19/10/987621910.db2.gz BYHMXFFWCVTROL-VXGBXAGGSA-N 2 0 239.407 1.495 20 0 BDADRP C1=C(CC[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CCCC1 ZINC001246237149 987634495 /nfs/dbraw/zinc/63/44/95/987634495.db2.gz HBIOHSCMQDEGRT-CQSZACIVSA-N 2 0 249.402 1.561 20 0 BDADRP CCCC[C@@H]1C[C@@H](NC2(CC)C[NH2+]C2)CC[NH2+]1 ZINC001246236190 987636150 /nfs/dbraw/zinc/63/61/50/987636150.db2.gz MXTRVONTAISALL-OLZOCXBDSA-N 2 0 239.407 1.639 20 0 BDADRP C[C@@H]1C[C@@H](n2ncc3c2cccc3C[NH3+])CC[NH2+]1 ZINC001246238701 987637756 /nfs/dbraw/zinc/63/77/56/987637756.db2.gz GDQNJLNJQDEMPM-PWSUYJOCSA-N 2 0 244.342 1.808 20 0 BDADRP CC[C@@H]1C[C@H](NCC[C@@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001246238895 987639267 /nfs/dbraw/zinc/63/92/67/987639267.db2.gz AUZGGSPBMHJYJH-HZSPNIEDSA-N 2 0 239.407 1.639 20 0 BDADRP [NH3+]Cc1cccc2cnn([C@@H]3CCC[NH2+]C3)c21 ZINC001246240785 987642007 /nfs/dbraw/zinc/64/20/07/987642007.db2.gz ONOXYQPNRAKXEK-GFCCVEGCSA-N 2 0 230.315 1.420 20 0 BDADRP C[C@@H]1CC[C@@H](NCC[C@H]2CCCC[NH2+]2)C[NH2+]1 ZINC001246242696 987645295 /nfs/dbraw/zinc/64/52/95/987645295.db2.gz GUIDFKJUNIKJTG-JHJVBQTASA-N 2 0 225.380 1.249 20 0 BDADRP C[C@@H]1C[C@@H](NCC[C@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001246244243 987645957 /nfs/dbraw/zinc/64/59/57/987645957.db2.gz LGRCLCQUOUMUNZ-UPJWGTAASA-N 2 0 225.380 1.249 20 0 BDADRP [NH3+][C@H]1CCN([C@H]2CCC[NH2+]C2)c2ccccc21 ZINC001246259560 987655835 /nfs/dbraw/zinc/65/58/35/987655835.db2.gz BCYYBIVXJDILIV-AAEUAGOBSA-N 2 0 231.343 1.649 20 0 BDADRP CCOC(=O)C1(C[NH2+]C2CC[NH2+]CC2)CCC1 ZINC001246269024 987663376 /nfs/dbraw/zinc/66/33/76/987663376.db2.gz ARZNJAQQDBUUJF-UHFFFAOYSA-N 2 0 240.347 1.061 20 0 BDADRP CCC[NH2+]CC[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246272724 987666680 /nfs/dbraw/zinc/66/66/80/987666680.db2.gz VEQSBEKCWUQOQB-ZDUSSCGKSA-N 2 0 239.407 1.498 20 0 BDADRP CC[NH2+]CCN[C@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246274311 987669360 /nfs/dbraw/zinc/66/93/60/987669360.db2.gz VVRKESGCBSRJTP-ITGUQSILSA-N 2 0 227.396 1.495 20 0 BDADRP C[C@@H]1CC(NCC2([NH3+])CCCCC2)C[C@@H](C)[NH2+]1 ZINC001246278106 987672840 /nfs/dbraw/zinc/67/28/40/987672840.db2.gz DFZXCPLQDGRLDA-VXGBXAGGSA-N 2 0 239.407 1.767 20 0 BDADRP [NH3+][C@H](CNC1CC[NH2+]CC1)c1ccccc1 ZINC001246292738 987686204 /nfs/dbraw/zinc/68/62/04/987686204.db2.gz PVRKMLOHHLRJAM-CYBMUJFWSA-N 2 0 219.332 1.028 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)Cc1ccccn1 ZINC001246304283 987701264 /nfs/dbraw/zinc/70/12/64/987701264.db2.gz LEOXQXSGZBAULD-QWRGUYRKSA-N 2 0 207.321 1.340 20 0 BDADRP CCCC[C@H]1C[C@H](NCC[C@H](C)[NH3+])CC[NH2+]1 ZINC001246303348 987701464 /nfs/dbraw/zinc/70/14/64/987701464.db2.gz HNPSPSMMJSMMAP-RWMBFGLXSA-N 2 0 227.396 1.624 20 0 BDADRP C[C@H]1CC[C@@H]([NH2+]CCCCCCC[NH3+])CN1 ZINC001246303782 987701826 /nfs/dbraw/zinc/70/18/26/987701826.db2.gz AOQGWRNFWLYSFI-QWHCGFSZSA-N 2 0 227.396 1.626 20 0 BDADRP C[C@H]1C[C@H](n2cccc2CC[NH3+])CC[NH2+]1 ZINC001246308235 987706800 /nfs/dbraw/zinc/70/68/00/987706800.db2.gz GQGWJOXTWZDYJC-CMPLNLGQSA-N 2 0 207.321 1.302 20 0 BDADRP CC[C@H]([NH3+])CCN[C@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246310187 987710514 /nfs/dbraw/zinc/71/05/14/987710514.db2.gz ZNYGAXXHOJLTFB-RWMBFGLXSA-N 2 0 227.396 1.480 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+]C1CCC([NH+](CC)CC)CC1 ZINC001246311492 987711504 /nfs/dbraw/zinc/71/15/04/987711504.db2.gz DTJPHXDCEITVNJ-IYXRBSQSSA-N 3 0 241.423 1.966 20 0 BDADRP COC(=O)[C@@H]1CCC[C@@H]1N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246311623 987711917 /nfs/dbraw/zinc/71/19/17/987711917.db2.gz QJSXTCRJWFAAJX-KXNHARMFSA-N 2 0 240.347 1.058 20 0 BDADRP CC[C@@H]1C[C@@H](NC[C@@H]([NH3+])CC(C)C)CC[NH2+]1 ZINC001246311663 987712778 /nfs/dbraw/zinc/71/27/78/987712778.db2.gz QQXQMZGZTRISNG-XQQFMLRXSA-N 2 0 227.396 1.480 20 0 BDADRP C[C@@H]1CC[C@@H](n2cccc2CC[NH3+])C[NH2+]1 ZINC001246310902 987713028 /nfs/dbraw/zinc/71/30/28/987713028.db2.gz OMRBPIVLSYYWQV-ZYHUDNBSSA-N 2 0 207.321 1.302 20 0 BDADRP CC[C@@H](C[NH3+])N[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246309893 987713475 /nfs/dbraw/zinc/71/34/75/987713475.db2.gz BKQQHWQINMRAKJ-QWHCGFSZSA-N 2 0 239.407 1.768 20 0 BDADRP CC[C@H]([NH3+])CN[C@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246316131 987722309 /nfs/dbraw/zinc/72/23/09/987722309.db2.gz XXRMFVONXTWCSZ-WUHRBBMRSA-N 2 0 227.396 1.623 20 0 BDADRP CC(C)[C@H]1C[C@H](N[C@@H]2CCC[NH2+][C@@H]2C)CC[NH2+]1 ZINC001246323538 987727187 /nfs/dbraw/zinc/72/71/87/987727187.db2.gz BBFHFFXUEFWZJC-AAVRWANBSA-N 2 0 239.407 1.493 20 0 BDADRP CC[C@H](CN)[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246320626 987728134 /nfs/dbraw/zinc/72/81/34/987728134.db2.gz ZOINDYJWSNRPRV-GFCCVEGCSA-N 2 0 239.407 1.626 20 0 BDADRP CCCc1cc(C[NH3+])nn1[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246324686 987730509 /nfs/dbraw/zinc/73/05/09/987730509.db2.gz ZFSYOJJBWHHEHW-ZWNOBZJWSA-N 2 0 236.363 1.607 20 0 BDADRP c1cncc([C@@H]([NH2+]C2CC[NH2+]CC2)C2CC2)c1 ZINC001246325490 987731847 /nfs/dbraw/zinc/73/18/47/987731847.db2.gz AGSGBYGZLXKBLV-AWEZNQCLSA-N 2 0 231.343 1.874 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246324417 987731980 /nfs/dbraw/zinc/73/19/80/987731980.db2.gz KTTNTBAKPNIORY-HSBZDZAISA-N 3 0 239.407 1.483 20 0 BDADRP CC[C@@H]1CC(NC[C@@H](C)C[NH3+])C[C@@H](CC)[NH2+]1 ZINC001246328772 987734774 /nfs/dbraw/zinc/73/47/74/987734774.db2.gz SGZUTAOYKUWEDD-QJPTWQEYSA-N 2 0 227.396 1.480 20 0 BDADRP C[C@@H]1C[C@H](Nc2cccnc2C[NH3+])CC[NH2+]1 ZINC001246328519 987736313 /nfs/dbraw/zinc/73/63/13/987736313.db2.gz YQZHLRFOKZSCBV-NXEZZACHSA-N 2 0 220.320 1.093 20 0 BDADRP [NH3+][C@@]12CC[C@@](N[C@H]3CCCC[NH2+]C3)(C1)CCC2 ZINC001246334952 987743511 /nfs/dbraw/zinc/74/35/11/987743511.db2.gz UYJVPKJBZKKXSB-MELADBBJSA-N 2 0 237.391 1.522 20 0 BDADRP C[C@H]1C[C@@H](N[C@@]23CC[C@@]([NH3+])(C2)CCC3)C[NH2+]1 ZINC001246338811 987749185 /nfs/dbraw/zinc/74/91/85/987749185.db2.gz GUAABXSQPGQXAL-LOWDOPEQSA-N 2 0 223.364 1.131 20 0 BDADRP CC(C)(C)[C@H](C[NH3+])N[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246344894 987753880 /nfs/dbraw/zinc/75/38/80/987753880.db2.gz KNHQTAXDGAIUMC-MNOVXSKESA-N 2 0 227.396 1.480 20 0 BDADRP CC1(C)CC[C@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246345913 987757437 /nfs/dbraw/zinc/75/74/37/987757437.db2.gz BMNVDELZFXWCSU-RYUDHWBXSA-N 2 0 237.391 1.249 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N[C@@H](C[NH3+])C(C)(C)C)CC[NH2+]1 ZINC001246348271 987757631 /nfs/dbraw/zinc/75/76/31/987757631.db2.gz VOLQUGQCIQNFGJ-AVGNSLFASA-N 2 0 241.423 1.726 20 0 BDADRP C[C@@H](Cc1cccnc1)N[C@@H]1CCC[NH2+]C1 ZINC001246355781 987764268 /nfs/dbraw/zinc/76/42/68/987764268.db2.gz CXSJUMSKGOSSNJ-WCQYABFASA-N 2 0 219.332 1.354 20 0 BDADRP CC(C)C[N@@H+]1CC[C@H](N[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246360212 987766424 /nfs/dbraw/zinc/76/64/24/987766424.db2.gz GKKFPHZWAWNZGQ-IHRRRGAJSA-N 2 0 239.407 1.447 20 0 BDADRP C[C@H]1C[C@H](N[C@H]2CC[N@H+](CC3CC3)C2)CC[NH2+]1 ZINC001246359833 987766682 /nfs/dbraw/zinc/76/66/82/987766682.db2.gz CZFSFNZIVRVDTO-YUTCNCBUSA-N 2 0 237.391 1.201 20 0 BDADRP [NH3+]Cc1cc2ccncc2n1C1CC[NH2+]CC1 ZINC001246361645 987767306 /nfs/dbraw/zinc/76/73/06/987767306.db2.gz JFLWATXCIREPPJ-UHFFFAOYSA-N 2 0 230.315 1.420 20 0 BDADRP C[C@@H]1C[C@@H](N[C@H]2CC[NH2+][C@H](C(C)(C)C)C2)C[NH2+]1 ZINC001246358399 987768343 /nfs/dbraw/zinc/76/83/43/987768343.db2.gz DWFIKHUAOHBPRQ-XQHKEYJVSA-N 2 0 239.407 1.493 20 0 BDADRP C[C@H]1CC[C@@H](n2c(C[NH3+])cc3ccncc32)C[NH2+]1 ZINC001246362511 987768783 /nfs/dbraw/zinc/76/87/83/987768783.db2.gz MQQLKIJEJLBNQU-CMPLNLGQSA-N 2 0 244.342 1.808 20 0 BDADRP C(C1CC1)C1(N[C@H]2CCC[NH2+]C2)CC[NH2+]CC1 ZINC001246381858 987775438 /nfs/dbraw/zinc/77/54/38/987775438.db2.gz SMBLQFGQJKFTOK-ZDUSSCGKSA-N 2 0 237.391 1.250 20 0 BDADRP CCCCC[C@@H](C)[NH2+]CCNCC[NH3+] ZINC001246402596 987783810 /nfs/dbraw/zinc/78/38/10/987783810.db2.gz AYDMIHSSUVKERX-LLVKDONJSA-N 2 0 201.358 1.093 20 0 BDADRP C1=C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC001246408296 987786236 /nfs/dbraw/zinc/78/62/36/987786236.db2.gz QQFPWQNNVIZVNP-ACJTYDJDSA-N 2 0 206.333 1.968 20 0 BDADRP CCC[C@@H](Cc1ccccc1)[NH2+]CCNCC[NH3+] ZINC001246403200 987786261 /nfs/dbraw/zinc/78/62/61/987786261.db2.gz CJVZDNJVMNLLRH-HNNXBMFYSA-N 2 0 249.402 1.536 20 0 BDADRP Cc1ccc(C[C@@H](C)[NH2+]CCNCC[NH3+])cc1 ZINC001246405131 987787395 /nfs/dbraw/zinc/78/73/95/987787395.db2.gz MUUVGOXTPOJJMV-CYBMUJFWSA-N 2 0 235.375 1.064 20 0 BDADRP CC(C)=CCC[C@@H](C)[NH2+]CCNCC[NH3+] ZINC001246406181 987788156 /nfs/dbraw/zinc/78/81/56/987788156.db2.gz RPGRIOJYVXSHTP-GFCCVEGCSA-N 2 0 213.369 1.259 20 0 BDADRP CCC1(N[C@@H]2CC[C@H](C)[NH2+]C2)CC[NH2+]CC1 ZINC001246422222 987793570 /nfs/dbraw/zinc/79/35/70/987793570.db2.gz AMIHGPYCEWMCEE-NWDGAFQWSA-N 2 0 225.380 1.249 20 0 BDADRP CCC1(N[C@H]2CC[C@@H](C)[NH2+]C2)CC[NH2+]CC1 ZINC001246422221 987794528 /nfs/dbraw/zinc/79/45/28/987794528.db2.gz AMIHGPYCEWMCEE-NEPJUHHUSA-N 2 0 225.380 1.249 20 0 BDADRP CCC1(C[NH2+][C@@H]2CC[C@@H](C)NC2)CC[NH2+]CC1 ZINC001246425822 987794617 /nfs/dbraw/zinc/79/46/17/987794617.db2.gz ZOWOIKVCADQGEP-CHWSQXEVSA-N 2 0 239.407 1.496 20 0 BDADRP CCC1(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]CC1 ZINC001246422385 987795264 /nfs/dbraw/zinc/79/52/64/987795264.db2.gz DARHYPMXXOHSRC-FUNVUKJBSA-N 2 0 237.391 1.391 20 0 BDADRP CSCC[C@H](C)[NH2+][C@@H]1CC12C[NH2+]C2 ZINC001246445164 987797523 /nfs/dbraw/zinc/79/75/23/987797523.db2.gz NBODHTBSAYVCAY-DTWKUNHWSA-N 2 0 200.351 1.080 20 0 BDADRP CCC1([NH2+][C@H]2CC[NH2+][C@H](C)C2)CCOCC1 ZINC001246441246 987798935 /nfs/dbraw/zinc/79/89/35/987798935.db2.gz LOQYJJRYHNJYOR-NEPJUHHUSA-N 2 0 226.364 1.676 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CC12C[NH2+]C2 ZINC001246443591 987801713 /nfs/dbraw/zinc/80/17/13/987801713.db2.gz HLVNLCLIMRHSHD-QWHCGFSZSA-N 3 0 239.407 1.448 20 0 BDADRP CCCOC1CCC([NH2+][C@H]2CC23C[NH2+]C3)CC1 ZINC001246445834 987802918 /nfs/dbraw/zinc/80/29/18/987802918.db2.gz PYOGQCSVJIRPNK-BPCQOVAHSA-N 2 0 238.375 1.676 20 0 BDADRP Clc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC13C[NH2+]C3)C2 ZINC001246447905 987804635 /nfs/dbraw/zinc/80/46/35/987804635.db2.gz XNMMGARKVMXWKA-STQMWFEESA-N 2 0 248.757 1.759 20 0 BDADRP CC1(C)CC([NH2+][C@@H]2CC23C[NH2+]C3)CC(C)(C)O1 ZINC001246446689 987805723 /nfs/dbraw/zinc/80/57/23/987805723.db2.gz SVSAMQMUKOGOST-LLVKDONJSA-N 2 0 238.375 1.674 20 0 BDADRP c1cncc(CC2([NH2+]C3CC[NH2+]CC3)CC2)c1 ZINC001246449861 987806436 /nfs/dbraw/zinc/80/64/36/987806436.db2.gz YPXAVSSSXICKND-UHFFFAOYSA-N 2 0 231.343 1.498 20 0 BDADRP CCC[C@H](CC)[NH2+]CCC[NH2+]CCCC[NH3+] ZINC001246456093 987813258 /nfs/dbraw/zinc/81/32/58/987813258.db2.gz HGUCRCXZZIJENR-ZDUSSCGKSA-N 3 0 229.412 1.873 20 0 BDADRP CC[C@@H]1CC[C@H]([NH2+]CCCNCCC[NH3+])C1 ZINC001246453905 987809552 /nfs/dbraw/zinc/80/95/52/987809552.db2.gz RAIUOWJQYSMBTL-OLZOCXBDSA-N 2 0 227.396 1.483 20 0 BDADRP CC[C@@]1(CN[C@H]2CC[NH2+][C@H](C)C2)CCC[NH2+]1 ZINC001246456555 987811990 /nfs/dbraw/zinc/81/19/90/987811990.db2.gz MOSHOMJRZVYPRE-AGIUHOORSA-N 2 0 225.380 1.249 20 0 BDADRP CC[C@@]1(CN[C@H]2CC[NH2+][C@@H](C)C2)CCC[NH2+]1 ZINC001246456556 987812315 /nfs/dbraw/zinc/81/23/15/987812315.db2.gz MOSHOMJRZVYPRE-AVGNSLFASA-N 2 0 225.380 1.249 20 0 BDADRP C[C@@H]1CSC[C@H]1[NH2+]C[C@H]1C[NH+]2CCC1CC2 ZINC001474735477 987812481 /nfs/dbraw/zinc/81/24/81/987812481.db2.gz QKQHFKBPOISFOQ-KGYLQXTDSA-N 2 0 240.416 1.669 20 0 BDADRP CC[C@@H]1CC[C@@H]([NH2+]CCC[NH2+]CCCC[NH3+])C1 ZINC001246455505 987813750 /nfs/dbraw/zinc/81/37/50/987813750.db2.gz GBAFGRBXJTVMTD-ZIAGYGMSSA-N 3 0 241.423 1.873 20 0 BDADRP C(N[C@@H]1CCC[NH2+]C1)[C@]1(CC2CC2)CCC[NH2+]1 ZINC001246461057 987820130 /nfs/dbraw/zinc/82/01/30/987820130.db2.gz MYACLQRIHJPIDF-ZIAGYGMSSA-N 2 0 237.391 1.250 20 0 BDADRP [NH3+]Cc1ccc(N[C@H]2CCC[NH2+]C2)cc1F ZINC001246465329 987822246 /nfs/dbraw/zinc/82/22/46/987822246.db2.gz VSHMBZRYWWWTSZ-NSHDSACASA-N 2 0 223.295 1.448 20 0 BDADRP C[C@H]1CC[C@@H]([NH2+]C[C@H]2CCCC[C@H]2O)CN1 ZINC001246463309 987823853 /nfs/dbraw/zinc/82/38/53/987823853.db2.gz FXMIMXPHYXFWCZ-UMSGYPCISA-N 2 0 226.364 1.268 20 0 BDADRP CC(C)[C@H]1C[C@H](N[C@H]2C[C@@](C)([NH3+])C2)CC[NH2+]1 ZINC001246466909 987825399 /nfs/dbraw/zinc/82/53/99/987825399.db2.gz XOIPOEPTPPEFOJ-LPWJVIDDSA-N 2 0 225.380 1.232 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc3c2CCN3)CC[NH2+]1 ZINC001246470255 987829788 /nfs/dbraw/zinc/82/97/88/987829788.db2.gz LFLHKWNRIBSKJL-YPMHNXCESA-N 2 0 245.370 1.885 20 0 BDADRP [NH3+][C@@H]1CCCC[C@@H]1[NH2+]C1CCC2(C[NH2+]C2)CC1 ZINC001246475331 987832759 /nfs/dbraw/zinc/83/27/59/987832759.db2.gz FMJATWMINWIRGP-OLZOCXBDSA-N 3 0 237.391 1.378 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)C[C@H](C)O1 ZINC001246478195 987835595 /nfs/dbraw/zinc/83/55/95/987835595.db2.gz UQUMOPUPRVCIGZ-PPCPHDFISA-N 2 0 244.354 1.480 20 0 BDADRP [NH3+]Cc1ccc(CCN[C@@H]2CCCC[NH2+]C2)cc1 ZINC001246483662 987842195 /nfs/dbraw/zinc/84/21/95/987842195.db2.gz MSMDGKYIUBYMOG-OAHLLOKOSA-N 2 0 247.386 1.420 20 0 BDADRP C[NH2+]CC[C@H](C)[NH2+]CC[C@H]1CCNCC1(F)F ZINC001246493322 987846724 /nfs/dbraw/zinc/84/67/24/987846724.db2.gz YAVIZLIYSZQXKC-WDEREUQCSA-N 2 0 249.349 1.209 20 0 BDADRP CCCC(C[NH3+])(CCC)NC1CC[NH2+]CC1 ZINC001246496136 987850036 /nfs/dbraw/zinc/85/00/36/987850036.db2.gz NFPYRWFIDZYHBF-UHFFFAOYSA-N 2 0 227.396 1.626 20 0 BDADRP C[C@H]1C[NH2+]C[C@@H](N[C@H]2CC[NH2+]C(C)(C)C2)C1 ZINC001246494994 987850063 /nfs/dbraw/zinc/85/00/63/987850063.db2.gz JACRAJURJFDIST-WOPDTQHZSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246494849 987851238 /nfs/dbraw/zinc/85/12/38/987851238.db2.gz LTNBIKKMZYLJIX-XQHKEYJVSA-N 2 0 237.391 1.105 20 0 BDADRP CC(C)C[C@@H](C[NH3+])N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246503957 987855291 /nfs/dbraw/zinc/85/52/91/987855291.db2.gz OKOHNWFVHJQOCI-OLZOCXBDSA-N 2 0 239.407 1.624 20 0 BDADRP CC(C)(C)[C@H]1C[C@H](NCC2([NH3+])CCC2)CC[NH2+]1 ZINC001246510989 987861983 /nfs/dbraw/zinc/86/19/83/987861983.db2.gz OFTGCSWXEJYCNP-VXGBXAGGSA-N 2 0 239.407 1.624 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@@]2(C)CCCOC2)CC[NH2+]1 ZINC001246511779 987862234 /nfs/dbraw/zinc/86/22/34/987862234.db2.gz RRXYHFOAHIDQBU-WOPDTQHZSA-N 2 0 212.337 1.286 20 0 BDADRP CC[NH+](CC)CCN(C)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246519545 987865155 /nfs/dbraw/zinc/86/51/55/987865155.db2.gz BQUOBYRGGAKQRR-QWHCGFSZSA-N 2 0 227.396 1.401 20 0 BDADRP CC(C)[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1C[NH2+]C1 ZINC001246517395 987865847 /nfs/dbraw/zinc/86/58/47/987865847.db2.gz KZPIWQCHWRMXHU-PIGZVRMJSA-N 2 0 237.391 1.103 20 0 BDADRP C[C@@H]1CC[C@@H](N[C@H](C2CCC2)C2C[NH2+]C2)C[NH2+]1 ZINC001246519598 987868167 /nfs/dbraw/zinc/86/81/67/987868167.db2.gz SKEMBAKIBOVLFM-LERXQTSPSA-N 2 0 237.391 1.105 20 0 BDADRP CC[C@@H]1C[C@H](N(C)CC[NH2+]C)C[C@H](CC)[NH2+]1 ZINC001246522970 987872475 /nfs/dbraw/zinc/87/24/75/987872475.db2.gz KLUDCPRROJWTSX-ITGUQSILSA-N 2 0 227.396 1.447 20 0 BDADRP C[NH2+]C1CN([C@H]2CC[NH2+][C@H](C(C)(C)C)C2)C1 ZINC001246524387 987875089 /nfs/dbraw/zinc/87/50/89/987875089.db2.gz OYOYCDSBVWDJIH-RYUDHWBXSA-N 2 0 225.380 1.057 20 0 BDADRP COc1cccc(C[C@H](C)N2CCC[NH2+]CC2)c1 ZINC001246524673 987876398 /nfs/dbraw/zinc/87/63/98/987876398.db2.gz NSYSPHVVACSROP-ZDUSSCGKSA-N 2 0 248.370 1.922 20 0 BDADRP CC[C@@H]1C[C@@H](N2CC[C@@](C)([NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246531676 987891838 /nfs/dbraw/zinc/89/18/38/987891838.db2.gz RSRICGLSDDVRAU-XJFOESAGSA-N 2 0 239.407 1.719 20 0 BDADRP CC1(C)CC[C@H]([N@@H+]2CCC[C@@](O)(C[NH3+])CC2)C1 ZINC001246539142 987897359 /nfs/dbraw/zinc/89/73/59/987897359.db2.gz AZSKVKPSTMARBQ-JSGCOSHPSA-N 2 0 240.391 1.741 20 0 BDADRP CC[C@@H]1C[C@@H]([NH+]2CCC(C[NH3+])CC2)CC[NH2+]1 ZINC001246537813 987898520 /nfs/dbraw/zinc/89/85/20/987898520.db2.gz LXLFFNMBOODNMC-OLZOCXBDSA-N 3 0 225.380 1.188 20 0 BDADRP C[C@H](Cc1ccccn1)[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246540876 987903506 /nfs/dbraw/zinc/90/35/06/987903506.db2.gz KJESAIVFZPTHKE-YNEHKIRRSA-N 2 0 233.359 1.539 20 0 BDADRP C[C@H]1C[N@@H+]([C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)C[C@H]1C[NH3+] ZINC001246540725 987903651 /nfs/dbraw/zinc/90/36/51/987903651.db2.gz JZJHKEFXXHPXBE-KIJLLGNVSA-N 2 0 236.359 1.271 20 0 BDADRP [NH3+][C@@H]1CCCN([C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC001246539970 987905384 /nfs/dbraw/zinc/90/53/84/987905384.db2.gz JEJPJSNORWVFOW-YIYPIFLZSA-N 2 0 237.391 1.473 20 0 BDADRP CC(C)COCC[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246543430 987914316 /nfs/dbraw/zinc/91/43/16/987914316.db2.gz NDRCEMVTPKJLHJ-JHJVBQTASA-N 2 0 228.380 1.859 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2CC[NH2+]CC[C@H]2C)CC[NH2+]1 ZINC001246547037 987928735 /nfs/dbraw/zinc/92/87/35/987928735.db2.gz AJTANPLYLPLSAV-MCIONIFRSA-N 2 0 239.407 1.447 20 0 BDADRP CSCC[C@@H](C)[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246546105 987929144 /nfs/dbraw/zinc/92/91/44/987929144.db2.gz YFCJPWYYFZRUOJ-VXGBXAGGSA-N 2 0 246.420 1.304 20 0 BDADRP CC(C)CC[C@@H](C)[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246546229 987930362 /nfs/dbraw/zinc/93/03/62/987930362.db2.gz ZBHAZFQZGSSIKL-KGLIPLIRSA-N 2 0 242.407 1.987 20 0 BDADRP C[C@@]1([NH3+])CCCN([C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246547944 987936964 /nfs/dbraw/zinc/93/69/64/987936964.db2.gz DKHKXOGJPVOBOT-XJFOESAGSA-N 2 0 237.391 1.473 20 0 BDADRP CC[C@@H]1C[C@H](N2CCC[C@@H](C[NH2+]C)C2)CC[NH2+]1 ZINC001246550367 987947870 /nfs/dbraw/zinc/94/78/70/987947870.db2.gz MWAXXMUDNZLDNG-BFHYXJOUSA-N 3 0 239.407 1.448 20 0 BDADRP [NH3+]C[C@@]1(F)CCC[N@@H+]([C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001246552270 987951366 /nfs/dbraw/zinc/95/13/66/987951366.db2.gz UCFHMUDHFZYGJG-YVECIDJPSA-N 2 0 226.339 1.938 20 0 BDADRP C[C@@]1([NH3+])CCC[N@@H+](C2CCOCC2)CC1 ZINC001246554509 987959381 /nfs/dbraw/zinc/95/93/81/987959381.db2.gz VUPKDJUPTBHJSW-GFCCVEGCSA-N 2 0 212.337 1.369 20 0 BDADRP C[C@@H]1CC[C@H](C[NH3+])N(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246554192 987959540 /nfs/dbraw/zinc/95/95/40/987959540.db2.gz CZHORIZLVRHWMZ-RQICVUQASA-N 2 0 237.391 1.329 20 0 BDADRP C[C@@H]1CC[N@@H+]([C@H]2CCC[NH2+]CC2)CC[C@H]1C[NH3+] ZINC001246554557 987960487 /nfs/dbraw/zinc/96/04/87/987960487.db2.gz BGUQEASIYFSETN-RDBSUJKOSA-N 3 0 239.407 1.435 20 0 BDADRP C[C@@H]1CC[C@H](C[NH3+])N([C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC001246555010 987961226 /nfs/dbraw/zinc/96/12/26/987961226.db2.gz FXCPZYOEWHNMNS-LPWJVIDDSA-N 2 0 225.380 1.186 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)CCO1 ZINC001246555351 987965259 /nfs/dbraw/zinc/96/52/59/987965259.db2.gz DUEHSHMGSRWCKP-AAVRWANBSA-N 2 0 240.391 1.861 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)CCO1 ZINC001246555352 987967164 /nfs/dbraw/zinc/96/71/64/987967164.db2.gz DUEHSHMGSRWCKP-REWJHTLYSA-N 2 0 240.391 1.861 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@](C)([NH3+])CC2)CCO1 ZINC001246556051 987968160 /nfs/dbraw/zinc/96/81/60/987968160.db2.gz YHAAQZJQOSPJCF-UPJWGTAASA-N 2 0 226.364 1.757 20 0 BDADRP C[C@@]1([NH3+])CCC[N@@H+]([C@@H]2CCC3(C[NH2+]C3)C2)CC1 ZINC001246555996 987970653 /nfs/dbraw/zinc/97/06/53/987970653.db2.gz YDRMPDZHZMXFQI-CHWSQXEVSA-N 3 0 237.391 1.332 20 0 BDADRP C[C@@H]1C[C@H](N2CCC(F)(F)[C@H](C[NH3+])C2)CC[NH2+]1 ZINC001246562202 988003069 /nfs/dbraw/zinc/00/30/69/988003069.db2.gz YJFIFTNROVUDTA-GMTAPVOTSA-N 2 0 247.333 1.043 20 0 BDADRP C[C@H]1C[C@@H](N2CCC(F)(F)[C@H](C[NH3+])C2)CC[NH2+]1 ZINC001246562194 988008095 /nfs/dbraw/zinc/00/80/95/988008095.db2.gz YJFIFTNROVUDTA-AXFHLTTASA-N 2 0 247.333 1.043 20 0 BDADRP CC[NH+]1CCC(N2C[C@H](C)CC[C@H]2C[NH3+])CC1 ZINC001246564207 988012689 /nfs/dbraw/zinc/01/26/89/988012689.db2.gz DGXCZDMLOAXQOV-OCCSQVGLSA-N 2 0 239.407 1.530 20 0 BDADRP C[NH2+]C1CCC([N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)CC1 ZINC001246564410 988019302 /nfs/dbraw/zinc/01/93/02/988019302.db2.gz NQFMRBMTKZWOAR-KBHBFKLGSA-N 3 0 239.407 1.576 20 0 BDADRP CC[C@@H]1CC(N2C[C@@H](C)[C@H]([NH3+])C2)C[C@@H](CC)[NH2+]1 ZINC001246566098 988022865 /nfs/dbraw/zinc/02/28/65/988022865.db2.gz FJCUGNWCTZHELD-HKUMRIAESA-N 2 0 239.407 1.575 20 0 BDADRP C[C@@H]1CC(N2CC[C@H]([NH3+])[C@@H](F)CC2)C[C@@H](C)[NH2+]1 ZINC001246566265 988027079 /nfs/dbraw/zinc/02/70/79/988027079.db2.gz FTDXMUBLKINTGQ-AAXDQBDMSA-N 2 0 243.370 1.277 20 0 BDADRP C[NH2+]C[C@@H](C)CN[C@H](C)c1cc(C)nn1C ZINC001118122263 988027440 /nfs/dbraw/zinc/02/74/40/988027440.db2.gz SGUIYHVGOHUGJN-MWLCHTKSSA-N 2 0 224.352 1.235 20 0 BDADRP [NH3+]C[C@]1(O)CCCC[N@@H+]([C@H]2CCCSC2)C1 ZINC001246565884 988028955 /nfs/dbraw/zinc/02/89/55/988028955.db2.gz ZVWSJMNUTSYKPL-NWDGAFQWSA-N 2 0 244.404 1.058 20 0 BDADRP C[C@@H]1CC[C@H](N2CCC[C@H](C[NH3+])[C@H]2C)C[NH2+]1 ZINC001246567984 988029133 /nfs/dbraw/zinc/02/91/33/988029133.db2.gz YLCVAJGRTMEGPT-LPWJVIDDSA-N 2 0 225.380 1.186 20 0 BDADRP [NH3+]C[C@@]1(O)CCCC[N@@H+]([C@H]2CCCSC2)C1 ZINC001246565887 988032551 /nfs/dbraw/zinc/03/25/51/988032551.db2.gz ZVWSJMNUTSYKPL-RYUDHWBXSA-N 2 0 244.404 1.058 20 0 BDADRP C[C@@H]1[C@H](C[NH3+])CCCN1[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246568151 988039248 /nfs/dbraw/zinc/03/92/48/988039248.db2.gz ZSSUDCDUHSYOMN-FRRDWIJNSA-N 2 0 239.407 1.576 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH3+])N(C2C[C@@H](C)[NH2+][C@H](C)C2)C1 ZINC001246573127 988057940 /nfs/dbraw/zinc/05/79/40/988057940.db2.gz YSVJYLFLWYNIQP-LPWJVIDDSA-N 2 0 239.407 1.575 20 0 BDADRP CC(C)CCC[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246573684 988071655 /nfs/dbraw/zinc/07/16/55/988071655.db2.gz ZBNYGPBGXZQUPH-JHJVBQTASA-N 2 0 228.380 1.595 20 0 BDADRP O[C@@H]1CCCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246574847 988085604 /nfs/dbraw/zinc/08/56/04/988085604.db2.gz LCOFCLGNVKERDW-ZGVCCVRISA-N 2 0 224.348 1.116 20 0 BDADRP CN1CCC([N@@H+]2CCC[C@@](C)(C[NH3+])CC2)CC1 ZINC001246577776 988090079 /nfs/dbraw/zinc/09/00/79/988090079.db2.gz PJTNOQNAZDUVQZ-CQSZACIVSA-N 2 0 239.407 1.532 20 0 BDADRP CCCCCC[C@H](CC)[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246578627 988095981 /nfs/dbraw/zinc/09/59/81/988095981.db2.gz GTCPLXZXBROAEL-MELADBBJSA-N 2 0 242.407 1.987 20 0 BDADRP C[C@@H]1CC[C@H](N2CCC(CC[NH3+])CC2)C[NH2+]1 ZINC001246581578 988113518 /nfs/dbraw/zinc/11/35/18/988113518.db2.gz RTIZGAVJSPUBTP-YPMHNXCESA-N 2 0 225.380 1.188 20 0 BDADRP CCCC[NH2+]CCN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001493762321 988115082 /nfs/dbraw/zinc/11/50/82/988115082.db2.gz BKZZCBGHEVZZFK-LBPRGKRZSA-N 2 0 243.395 1.175 20 0 BDADRP CCCCC[C@H](C)[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246582406 988115303 /nfs/dbraw/zinc/11/53/03/988115303.db2.gz XQTIKJSSXCLNDE-SRVKXCTJSA-N 2 0 214.353 1.207 20 0 BDADRP C[NH2+]CC[C@H](C)N1CCCC[C@@](C)(C[NH3+])C1 ZINC001246581813 988117034 /nfs/dbraw/zinc/11/70/34/988117034.db2.gz AWYDUGSFPZHHNA-STQMWFEESA-N 2 0 227.396 1.435 20 0 BDADRP [NH3+]C[C@]1(F)CCCCN([C@H]2CCC[NH2+]CC2)C1 ZINC001246581518 988117379 /nfs/dbraw/zinc/11/73/79/988117379.db2.gz QHLDXYARAWPTGZ-QWHCGFSZSA-N 2 0 243.370 1.281 20 0 BDADRP [NH3+]C[C@@H]1CCCC[N@@H+]([C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001246582932 988120719 /nfs/dbraw/zinc/12/07/19/988120719.db2.gz PEWYGZUSMMTXEM-WUHRBBMRSA-N 2 0 208.349 1.846 20 0 BDADRP CC[C@@H](C)C[C@@H](CC)[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246582775 988121279 /nfs/dbraw/zinc/12/12/79/988121279.db2.gz HMMUSGYRGBYLFM-XQHKEYJVSA-N 2 0 228.380 1.453 20 0 BDADRP C[NH2+]CC[C@H](C)N1CCCC[C@@H](C[NH3+])C1 ZINC001246582941 988122499 /nfs/dbraw/zinc/12/24/99/988122499.db2.gz PILGMMDKILXTTP-RYUDHWBXSA-N 2 0 213.369 1.045 20 0 BDADRP COC[C@H](C)[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246583781 988123725 /nfs/dbraw/zinc/12/37/25/988123725.db2.gz KSCFQKVCZHIOLD-RYUDHWBXSA-N 2 0 214.353 1.472 20 0 BDADRP CCC[C@@H](C)CC[C@H](C)[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246583660 988124676 /nfs/dbraw/zinc/12/46/76/988124676.db2.gz KPRXBIDGIPROGO-ZOBORPQBSA-N 2 0 242.407 1.843 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@@H+](C2C[C@@H]3C=C[C@H](C2)[NH2+]3)CC1 ZINC001246582683 988126208 /nfs/dbraw/zinc/12/62/08/988126208.db2.gz SFDBJNVGCXJUKB-IXXDHKBRSA-N 3 0 249.402 1.496 20 0 BDADRP COC[C@H](C)[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246583780 988126997 /nfs/dbraw/zinc/12/69/97/988126997.db2.gz KSCFQKVCZHIOLD-NWDGAFQWSA-N 2 0 214.353 1.472 20 0 BDADRP C[NH2+]CC[C@H](C)[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246582670 988127501 /nfs/dbraw/zinc/12/75/01/988127501.db2.gz SBMDWPVZQGNKIC-QWHCGFSZSA-N 3 0 227.396 1.435 20 0 BDADRP [NH3+]C[C@]1(F)CCCCN([C@H]2CCCC[NH2+]C2)C1 ZINC001246585065 988132188 /nfs/dbraw/zinc/13/21/88/988132188.db2.gz YLEHRPWIZKWYMH-QWHCGFSZSA-N 2 0 243.370 1.281 20 0 BDADRP C[C@@H]1C[C@@H](N2CCCC[C@@](C)(C[NH3+])C2)C[NH2+]1 ZINC001246586292 988149236 /nfs/dbraw/zinc/14/92/36/988149236.db2.gz SSLMKKIRPXRVQY-UPJWGTAASA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@H]1CCC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246589850 988163724 /nfs/dbraw/zinc/16/37/24/988163724.db2.gz GZOAJSFRWIWDHP-CHWSQXEVSA-N 2 0 237.391 1.202 20 0 BDADRP CCCC[C@H]1C[C@H](N2CC(C)(C[NH3+])C2)CC[NH2+]1 ZINC001246590352 988165229 /nfs/dbraw/zinc/16/52/29/988165229.db2.gz SRNXFUIAVUWDHO-QWHCGFSZSA-N 2 0 239.407 1.578 20 0 BDADRP CC(C)N([C@@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]CC1 ZINC001246590758 988168381 /nfs/dbraw/zinc/16/83/81/988168381.db2.gz HZWWUXTXMFWLPI-UONOGXRCSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CC[C@@](C)(O)[C@H](C)C2)CC[NH2+]1 ZINC001246590330 988169470 /nfs/dbraw/zinc/16/94/70/988169470.db2.gz SKCKKNFFUBYMSJ-FDYHWXHSSA-N 2 0 226.364 1.220 20 0 BDADRP C[C@@H]1CC[N@@H+]([C@H]2CC[NH2+][C@@H](C)C2)C[C@@]1(C)O ZINC001246593032 988180908 /nfs/dbraw/zinc/18/09/08/988180908.db2.gz RJPDQIQJFHSFCG-MROQNXINSA-N 2 0 226.364 1.220 20 0 BDADRP CC[N@@H+]1CC[C@H](N2CCCC[C@@](C)(C[NH3+])C2)C1 ZINC001246593390 988181329 /nfs/dbraw/zinc/18/13/29/988181329.db2.gz MSEPVVWXXIOOIK-KBPBESRZSA-N 2 0 239.407 1.532 20 0 BDADRP CC1(C)C[C@@H](N2CCC[C@]23CCC[NH2+]C3)CO1 ZINC001246607613 988224215 /nfs/dbraw/zinc/22/42/15/988224215.db2.gz GTYDLKRBCWDGST-OCCSQVGLSA-N 2 0 238.375 1.772 20 0 BDADRP C[NH2+]CC[C@H](C)N1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001246609747 988238480 /nfs/dbraw/zinc/23/84/80/988238480.db2.gz JOQYHKGMFMTPEN-UONOGXRCSA-N 2 0 239.407 1.450 20 0 BDADRP CC[N@@H+]1CC[C@@H](N2CCC[C@]23CCC[NH2+]C3)C1 ZINC001246610082 988239045 /nfs/dbraw/zinc/23/90/45/988239045.db2.gz ORDYNMDJIPYQKJ-KGLIPLIRSA-N 2 0 237.391 1.299 20 0 BDADRP C1CC12CNCC[N@@H+]2[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246621300 988263526 /nfs/dbraw/zinc/26/35/26/988263526.db2.gz CIUNJOBBHTTWQZ-KGLIPLIRSA-N 2 0 249.402 1.347 20 0 BDADRP C[NH2+]CC[C@@H](C)N1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001246622554 988266542 /nfs/dbraw/zinc/26/65/42/988266542.db2.gz RGLWKYWFGZYETD-OLZOCXBDSA-N 2 0 225.380 1.202 20 0 BDADRP C[C@H]1C[C@@H](N2CCC3(CCC[NH2+]3)CC2)CC[NH2+]1 ZINC001246621175 988269663 /nfs/dbraw/zinc/26/96/63/988269663.db2.gz FAJHCBUXCMHOEG-STQMWFEESA-N 2 0 237.391 1.345 20 0 BDADRP CCSC[C@H](C)[NH+]1CCC(F)(C[NH3+])CC1 ZINC001246620237 988273880 /nfs/dbraw/zinc/27/38/80/988273880.db2.gz QHWUCZRQJXPEHP-JTQLQIEISA-N 2 0 234.384 1.891 20 0 BDADRP C[NH2+]C1CCC([NH+]2CCC(F)(C[NH3+])CC2)CC1 ZINC001246623250 988276491 /nfs/dbraw/zinc/27/64/91/988276491.db2.gz BPRZSRPAWHOTBI-UHFFFAOYSA-N 3 0 243.370 1.280 20 0 BDADRP C1C[C@]2(C[NH2+]1)CCCN(C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246623560 988279340 /nfs/dbraw/zinc/27/93/40/988279340.db2.gz AROAXBYPZNJWPU-IXXDHKBRSA-N 2 0 249.402 1.345 20 0 BDADRP CCCC[C@@H](CC)[N@@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246625355 988283347 /nfs/dbraw/zinc/28/33/47/988283347.db2.gz QHGGHDGPPATMKM-MGPQQGTHSA-N 2 0 240.391 1.875 20 0 BDADRP C1CC12CNCC[N@@H+]2[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246624557 988284985 /nfs/dbraw/zinc/28/49/85/988284985.db2.gz NREISCOWPJFWLF-ZDUSSCGKSA-N 2 0 249.402 1.347 20 0 BDADRP CC(C)[C@H]1C[C@@H](N2CC[NH2+]CC23CC3)CC[NH2+]1 ZINC001246626949 988289186 /nfs/dbraw/zinc/28/91/86/988289186.db2.gz UISGASWOJMMWAQ-QWHCGFSZSA-N 2 0 237.391 1.201 20 0 BDADRP C[C@H](CC1CC1)[NH+]1CCC(F)(C[NH3+])CC1 ZINC001246626536 988293918 /nfs/dbraw/zinc/29/39/18/988293918.db2.gz JNCOLODOORREMK-SNVBAGLBSA-N 2 0 214.328 1.938 20 0 BDADRP [NH3+]CC1(F)CC[NH+]([C@@H]2CCCOCC2)CC1 ZINC001246626842 988296189 /nfs/dbraw/zinc/29/61/89/988296189.db2.gz LBCOBAMFIOEKOG-LLVKDONJSA-N 2 0 230.327 1.318 20 0 BDADRP C[C@@H]1C[C@H](N2CC[C@H]3C[NH2+]C[C@H]3CC2)CC[NH2+]1 ZINC001246630828 988302663 /nfs/dbraw/zinc/30/26/63/988302663.db2.gz PJNQXTAWTPSUDG-YIYPIFLZSA-N 2 0 237.391 1.058 20 0 BDADRP CC[C@H]1C[C@H]([NH+]2CCC(F)(C[NH3+])CC2)CC[NH2+]1 ZINC001246630097 988305135 /nfs/dbraw/zinc/30/51/35/988305135.db2.gz RSDSRLLIUNORGA-NWDGAFQWSA-N 3 0 243.370 1.280 20 0 BDADRP C[C@@H]1C[C@H]([NH+]2CCC(F)(C[NH3+])CC2)CCO1 ZINC001246632014 988315067 /nfs/dbraw/zinc/31/50/67/988315067.db2.gz YSZGLGUQLRSPNH-GHMZBOCLSA-N 2 0 230.327 1.317 20 0 BDADRP C1C[C@@H]2[C@@H](CC[N@@H+]2[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)[NH2+]1 ZINC001246634699 988319750 /nfs/dbraw/zinc/31/97/50/988319750.db2.gz AWRPRQATZMDUOJ-GBJTYRQASA-N 3 0 249.402 1.345 20 0 BDADRP CC[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)CCO1 ZINC001246636256 988332947 /nfs/dbraw/zinc/33/29/47/988332947.db2.gz FZABYFZXUGTVPB-UMSGYPCISA-N 2 0 224.348 1.380 20 0 BDADRP C1C[C@@H]2[C@@H](CC[N@@H+]2[C@H]2CCCSC2)[NH2+]1 ZINC001246637772 988333351 /nfs/dbraw/zinc/33/33/51/988333351.db2.gz JVZOBGIUXVEWIA-HBNTYKKESA-N 2 0 212.362 1.318 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCCC[C@@]23CC[NH2+]C3)CCO1 ZINC001246643025 988358016 /nfs/dbraw/zinc/35/80/16/988358016.db2.gz LRMXUVCMIWZZAM-MCIONIFRSA-N 2 0 238.375 1.772 20 0 BDADRP C1C[C@H](N2CCC([C@@H]3CCCC[NH2+]3)CC2)C[NH2+]1 ZINC001246655045 988374977 /nfs/dbraw/zinc/37/49/77/988374977.db2.gz JCLAWVJTUGHLGW-KBPBESRZSA-N 2 0 237.391 1.202 20 0 BDADRP COC[C@H](C)[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001246653965 988379454 /nfs/dbraw/zinc/37/94/54/988379454.db2.gz GCAHFWOTLZAHGY-GXTWGEPZSA-N 2 0 240.391 1.875 20 0 BDADRP C1C[C@@H]2CC[N@@H+]([C@@H]3CCC[NH2+]C3)C[C@H]2C1 ZINC001246657445 988387964 /nfs/dbraw/zinc/38/79/64/988387964.db2.gz QMAHJCPQQJIMTA-JHJVBQTASA-N 2 0 208.349 1.860 20 0 BDADRP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](C1CCC3(C[NH2+]C3)CC1)C2 ZINC001246665725 988405140 /nfs/dbraw/zinc/40/51/40/988405140.db2.gz PUKONCYOQJNDMZ-IUODEOHRSA-N 3 0 249.402 1.332 20 0 BDADRP CC(C)[C@H]1C[C@@H](N2CC[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC001246672931 988414511 /nfs/dbraw/zinc/41/45/11/988414511.db2.gz MWJUVUZLERJMFT-RWMBFGLXSA-N 2 0 225.380 1.057 20 0 BDADRP C1[C@@H]2CN(C3CCC4(CCC[NH2+]C4)CC3)C[C@H]1[NH2+]2 ZINC001246674647 988418758 /nfs/dbraw/zinc/41/87/58/988418758.db2.gz ABBUZDNRDRQCHP-DGKWVBSXSA-N 2 0 249.402 1.345 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246688209 988436434 /nfs/dbraw/zinc/43/64/34/988436434.db2.gz CUOACXQOWFZIFI-IZXDZPFWSA-N 2 0 237.391 1.294 20 0 BDADRP CC(C)[C@@H]1CN([C@@H]2CCC[NH2+]CC2)CC[NH2+]1 ZINC001246687394 988437788 /nfs/dbraw/zinc/43/77/88/988437788.db2.gz QPBLJFKECSDXOO-OLZOCXBDSA-N 2 0 225.380 1.058 20 0 BDADRP C[NH2+]CC1CCN([C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246781047 988452197 /nfs/dbraw/zinc/45/21/97/988452197.db2.gz MVRXRXMXPVZYHK-WCQYABFASA-N 2 0 225.380 1.058 20 0 BDADRP c1cc([C@@H]2CC[N@@H+](C3CC[NH2+]CC3)C2)ccn1 ZINC001246773656 988452831 /nfs/dbraw/zinc/45/28/31/988452831.db2.gz CCSCRDXLRIRUSL-CYBMUJFWSA-N 2 0 231.343 1.623 20 0 BDADRP CC[N@H+](C1CCN(C)CC1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246784943 988459438 /nfs/dbraw/zinc/45/94/38/988459438.db2.gz IQRWELCOLISLPY-OCCSQVGLSA-N 2 0 239.407 1.543 20 0 BDADRP CCN(C1CC[NH2+]CC1)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246796648 988466862 /nfs/dbraw/zinc/46/68/62/988466862.db2.gz MAJPVOKVPKEWCV-DGCLKSJQSA-N 2 0 225.380 1.201 20 0 BDADRP CCN(CC[NH+](CC)CC)[C@@H]1CCCC[NH2+]C1 ZINC001246788742 988470924 /nfs/dbraw/zinc/47/09/24/988470924.db2.gz IKPKEHOVEKNUHR-CQSZACIVSA-N 2 0 241.423 1.792 20 0 BDADRP C[NH2+]CC[C@H](C)[N@H+](C)CCC1CC[NH2+]CC1 ZINC001246794572 988472582 /nfs/dbraw/zinc/47/25/82/988472582.db2.gz GAVSSOLGXQKDRY-LBPRGKRZSA-N 3 0 227.396 1.306 20 0 BDADRP CC[C@H]1C[NH2+]CCN1[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246801602 988477504 /nfs/dbraw/zinc/47/75/04/988477504.db2.gz GHPXSDHCHIAPFV-RYUDHWBXSA-N 2 0 225.380 1.201 20 0 BDADRP CC[C@@H]1C[NH2+]CCN1C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246803115 988485682 /nfs/dbraw/zinc/48/56/82/988485682.db2.gz LTBFGHIPTALWHR-IJLUTSLNSA-N 2 0 225.380 1.199 20 0 BDADRP CC[C@@H]1C[NH2+]CCN1[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246806595 988488902 /nfs/dbraw/zinc/48/89/02/988488902.db2.gz XQPKYNGCCDFCQF-CHWSQXEVSA-N 2 0 237.391 1.345 20 0 BDADRP CCOC(=O)[C@H]1CC[N@@H+]([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246814993 988494683 /nfs/dbraw/zinc/49/46/83/988494683.db2.gz BIRZVLPKYKSCNS-GRYCIOLGSA-N 2 0 240.347 1.012 20 0 BDADRP CC(C)C[C@H]1CN([C@@H]2CC[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC001246822783 988507644 /nfs/dbraw/zinc/50/76/44/988507644.db2.gz NFSFDGIAHIKLPB-MELADBBJSA-N 2 0 239.407 1.447 20 0 BDADRP CC[C@@H]1C[C@H](N2C[C@H]([NH3+])CC[C@H]2C)CC[NH2+]1 ZINC001246820340 988509958 /nfs/dbraw/zinc/50/99/58/988509958.db2.gz IZDIDYVNVNETPU-FDYHWXHSSA-N 2 0 225.380 1.329 20 0 BDADRP C[C@@H]1CC[C@H]([NH3+])CN1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246822941 988512311 /nfs/dbraw/zinc/51/23/11/988512311.db2.gz MLAUSEAJYUECAQ-UCEQBCCISA-N 2 0 223.364 1.081 20 0 BDADRP CC[C@H]1C[C@@H](N(C)[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246821019 988512774 /nfs/dbraw/zinc/51/27/74/988512774.db2.gz SCRRDJVSFVFGCL-RWMBFGLXSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H]1CC[C@H](N2CCC[C@H]3C[N@H+](C)C[C@H]32)C[NH2+]1 ZINC001246830990 988520883 /nfs/dbraw/zinc/52/08/83/988520883.db2.gz JMZQMECMLZZUIJ-ZOBORPQBSA-N 2 0 237.391 1.153 20 0 BDADRP C[C@@H]1C[C@@H](N(CC[NH3+])CC[NH3+])CC(C)(C)C1 ZINC001246830098 988523004 /nfs/dbraw/zinc/52/30/04/988523004.db2.gz JCFZRHSPADIGCI-VXGBXAGGSA-N 2 0 227.396 1.421 20 0 BDADRP CCCCC[C@H](C)N(CC[NH3+])CC[NH3+] ZINC001246828450 988524408 /nfs/dbraw/zinc/52/44/08/988524408.db2.gz BSJOHSUICPHKTG-NSHDSACASA-N 2 0 201.358 1.175 20 0 BDADRP CC1(C)CCC(N(CC[NH3+])CC[NH3+])CC1 ZINC001246836175 988531879 /nfs/dbraw/zinc/53/18/79/988531879.db2.gz ZXWCDHACNJRVLE-UHFFFAOYSA-N 2 0 213.369 1.175 20 0 BDADRP C[C@@H]1CC[C@@H](N(C)C[C@@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001246845323 988556581 /nfs/dbraw/zinc/55/65/81/988556581.db2.gz FMGQBXGXJCTCSY-JHJVBQTASA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H]1CC[C@H](N(C)C[C@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001246845320 988558943 /nfs/dbraw/zinc/55/89/43/988558943.db2.gz FMGQBXGXJCTCSY-AGIUHOORSA-N 2 0 225.380 1.058 20 0 BDADRP CCN([C@H]1CCC[NH2+]C1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246853191 988571808 /nfs/dbraw/zinc/57/18/08/988571808.db2.gz HYDNWOVFLHRUFT-AGIUHOORSA-N 2 0 225.380 1.201 20 0 BDADRP CC[C@@H]1C[C@@H](N(CC)[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC001246853308 988574455 /nfs/dbraw/zinc/57/44/55/988574455.db2.gz UUZLJQHBJJZJMH-FRRDWIJNSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CC[C@]3(C2)CCCOC3)CC[NH2+]1 ZINC001246855068 988576689 /nfs/dbraw/zinc/57/66/89/988576689.db2.gz SGLCLDWCIZICLW-MCIONIFRSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@@H]1CO[C@@H]2C[N@@H+]([C@H]3CC[C@@H](C)[NH2+]C3)C[C@H]12 ZINC001246855005 988579320 /nfs/dbraw/zinc/57/93/20/988579320.db2.gz RTVZPGGHZKPWJG-UJPOAAIJSA-N 2 0 224.348 1.094 20 0 BDADRP CC[C@@H]1CC[C@H]([N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])C1 ZINC001246861090 988604395 /nfs/dbraw/zinc/60/43/95/988604395.db2.gz QKNUFLZNAUPLJE-JABUTEAWSA-N 2 0 238.375 1.471 20 0 BDADRP C1CC1N(C1C[NH2+]C1)[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246861782 988605006 /nfs/dbraw/zinc/60/50/06/988605006.db2.gz DUEINCQLLLIUSH-ZFWWWQNUSA-N 2 0 249.402 1.345 20 0 BDADRP C1C[C@@H]2C[C@@H](N3C[C@H]4CC[C@@H](C3)[NH2+]C4)C[C@H](C1)[NH2+]2 ZINC001246866353 988617458 /nfs/dbraw/zinc/61/74/58/988617458.db2.gz JNFDWIQMSZQEIU-RMEBNNNOSA-N 2 0 249.402 1.343 20 0 BDADRP CC[C@@H]1C[C@H](N2C[C@@H](C)[C@@H]([NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246879530 988644924 /nfs/dbraw/zinc/64/49/24/988644924.db2.gz FJCUGNWCTZHELD-DGTMBMJNSA-N 2 0 239.407 1.575 20 0 BDADRP C[C@@H]1CC(N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[C@@H](C)[NH2+]1 ZINC001246881344 988648015 /nfs/dbraw/zinc/64/80/15/988648015.db2.gz MUJYQGSHDILWIQ-LPWJVIDDSA-N 2 0 237.391 1.342 20 0 BDADRP CCCC[C@H]1CN([C@H]2C[NH2+][C@H](C)C2)CC[NH2+]1 ZINC001246896990 988669770 /nfs/dbraw/zinc/66/97/70/988669770.db2.gz BYDXZZFHYABUFO-FRRDWIJNSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H]1CC[C@@H](N(C)[C@@]2(C)CCC[NH2+]C2)C[NH2+]1 ZINC001246907350 988677112 /nfs/dbraw/zinc/67/71/12/988677112.db2.gz FKCZMCCPNBGTKB-UPJWGTAASA-N 2 0 225.380 1.201 20 0 BDADRP COC(=O)CC[N@H+](C1CC1)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246910640 988687920 /nfs/dbraw/zinc/68/79/20/988687920.db2.gz BDWNJXGEGIVEBS-CMPLNLGQSA-N 2 0 240.347 1.154 20 0 BDADRP CCOC(=O)[C@H]1CC[C@H](N2CCC[C@@H]2C[NH3+])C1 ZINC001246912807 988688481 /nfs/dbraw/zinc/68/84/81/988688481.db2.gz HRYGGMRSYOBEQD-SDDRHHMPSA-N 2 0 240.347 1.141 20 0 BDADRP C[NH2+]CC[C@@H](C)N(C1CC1)[C@H]1CCC[NH2+]C1 ZINC001246907704 988691171 /nfs/dbraw/zinc/69/11/71/988691171.db2.gz UJYXPCNVCBKKMH-YPMHNXCESA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H]1CC[C@H](N(C)C2(C)CC[NH2+]CC2)C[NH2+]1 ZINC001246911010 988698263 /nfs/dbraw/zinc/69/82/63/988698263.db2.gz PBTCLOBKNALYEC-NEPJUHHUSA-N 2 0 225.380 1.201 20 0 BDADRP CCC[C@@H]1CNCC[N@@H+]1[C@@H]1CCC2(C[NH2+]C2)C1 ZINC001246911231 988699511 /nfs/dbraw/zinc/69/95/11/988699511.db2.gz AXFLBYOBYCFYSR-CHWSQXEVSA-N 2 0 237.391 1.202 20 0 BDADRP C1[C@H]2C[NH2+]C[C@H]2N1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246915331 988703314 /nfs/dbraw/zinc/70/33/14/988703314.db2.gz FJPRDXIJFGNVIO-TZMCWYRMSA-N 2 0 249.402 1.202 20 0 BDADRP CCCC[C@@H]1C[C@H](N2C[C@H]3C[NH2+]C[C@H]32)CC[NH2+]1 ZINC001246916481 988704940 /nfs/dbraw/zinc/70/49/40/988704940.db2.gz HUMIPWFNQHDXJU-AAVRWANBSA-N 2 0 237.391 1.201 20 0 BDADRP CCC[C@@H]1C[NH2+]CCN1[C@@H]1CCC[NH2+]CC1 ZINC001246914086 988707747 /nfs/dbraw/zinc/70/77/47/988707747.db2.gz CLPMJQHFHWAOAH-CHWSQXEVSA-N 2 0 225.380 1.202 20 0 BDADRP C[C@H]1C[C@@H](N(C2CC2)[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246915054 988708979 /nfs/dbraw/zinc/70/89/79/988708979.db2.gz KDQSDJFHTCQQCG-FPMFFAJLSA-N 2 0 237.391 1.343 20 0 BDADRP C[NH2+]C1CCC(N(C)[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246918572 988711294 /nfs/dbraw/zinc/71/12/94/988711294.db2.gz LBNMSCZYNGKPOA-BLYZHGLHSA-N 2 0 239.407 1.589 20 0 BDADRP C1[NH2+][C@@H]2CN([C@@H]3CC[NH2+]C4(CCCCC4)C3)C[C@@H]12 ZINC001246922148 988734537 /nfs/dbraw/zinc/73/45/37/988734537.db2.gz URCUDYFFOGKCBV-MGPQQGTHSA-N 2 0 249.402 1.345 20 0 BDADRP C1CC1[NH2+][C@H]1CCCN([C@H]2CCC[NH2+]CC2)C1 ZINC001246924235 988748680 /nfs/dbraw/zinc/74/86/80/988748680.db2.gz ZVNJELAXOGCZSK-KBPBESRZSA-N 2 0 237.391 1.345 20 0 BDADRP C1[NH2+][C@H]2C[N@@H+](C3CCC4(CCC[NH2+]C4)CC3)C[C@@H]12 ZINC001246924885 988751402 /nfs/dbraw/zinc/75/14/02/988751402.db2.gz NIOTZTBVIWTOSD-JLVJUDLZSA-N 3 0 249.402 1.202 20 0 BDADRP Cc1ccnn1C1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001246925638 988753425 /nfs/dbraw/zinc/75/34/25/988753425.db2.gz NYGLWRGQDPDOFA-UHFFFAOYSA-N 2 0 248.374 1.580 20 0 BDADRP CO[C@H](C)C1C[NH+]([C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246924286 988753721 /nfs/dbraw/zinc/75/37/21/988753721.db2.gz QZQXNHKXJQVIBX-UMNHJUIQSA-N 2 0 212.337 1.094 20 0 BDADRP CC[C@H]1C[C@H](N2CCC[C@@H]2C[NH2+]C)CC[NH2+]1 ZINC001246936508 988763184 /nfs/dbraw/zinc/76/31/84/988763184.db2.gz DBJKTQOGMONRMW-YNEHKIRRSA-N 2 0 225.380 1.201 20 0 BDADRP C1[C@@H]2C[C@H]([N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)C[C@H]12 ZINC001246933119 988763489 /nfs/dbraw/zinc/76/34/89/988763489.db2.gz PZGVYVQPDUSVSC-KCLGILNXSA-N 2 0 220.360 1.716 20 0 BDADRP C[NH2+]C[C@H]1CCCN1[C@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246938477 988767173 /nfs/dbraw/zinc/76/71/73/988767173.db2.gz MUKUEUFJKQUNPI-MJBXVCDLSA-N 2 0 239.407 1.447 20 0 BDADRP CC[C@@H]1C[C@H](N2CCC[C@@H]([NH3+])[C@H]2C)CC[NH2+]1 ZINC001246935865 988770665 /nfs/dbraw/zinc/77/06/65/988770665.db2.gz CFDGOGFAFDFVSG-FDYHWXHSSA-N 2 0 225.380 1.329 20 0 BDADRP C[NH2+]C[C@H]1CCCN1[C@@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246938476 988770701 /nfs/dbraw/zinc/77/07/01/988770701.db2.gz MUKUEUFJKQUNPI-MGPQQGTHSA-N 2 0 239.407 1.447 20 0 BDADRP CCCN([C@@H]1CC[NH2+]C1)[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246943024 988773904 /nfs/dbraw/zinc/77/39/04/988773904.db2.gz SSPRMCPAFBGWMN-QWHCGFSZSA-N 2 0 239.407 1.591 20 0 BDADRP C1CC2(C[C@H]1[N@@H+]1C[C@@H]3CC[C@H]1CN3)CC[NH2+]CC2 ZINC001246941834 988773991 /nfs/dbraw/zinc/77/39/91/988773991.db2.gz CGJVGOFWZWVZLZ-IHRRRGAJSA-N 2 0 249.402 1.345 20 0 BDADRP CC(C)N([C@@H]1CCC[NH2+]C1)[C@@H]1CCCC[NH2+]C1 ZINC001246954513 988784480 /nfs/dbraw/zinc/78/44/80/988784480.db2.gz LEDDGURRJIMWCI-ZIAGYGMSSA-N 2 0 239.407 1.591 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC2(C)C)C1 ZINC001324288724 988785064 /nfs/dbraw/zinc/78/50/64/988785064.db2.gz ORDDQCVOUBFNQE-CHWSQXEVSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)N([C@@H]1CCC[NH2+]C1)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246955388 988786588 /nfs/dbraw/zinc/78/65/88/988786588.db2.gz QHAHMVDWHFZZRT-BFHYXJOUSA-N 2 0 239.407 1.589 20 0 BDADRP C[C@H](N)C[N@H+](C)[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246980386 988787887 /nfs/dbraw/zinc/78/78/87/988787887.db2.gz HZVVTRYCKOYADC-YNEHKIRRSA-N 2 0 225.380 1.188 20 0 BDADRP CC(C)N([C@H]1CC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246963515 988796646 /nfs/dbraw/zinc/79/66/46/988796646.db2.gz BLAMWMOQARYKLM-WJLOJVBCSA-N 2 0 237.391 1.342 20 0 BDADRP C[C@@H]1CC(N2C[C@@H](C)[NH2+][C@H](C)C2)C[C@@H](C)[NH2+]1 ZINC001246969565 988801175 /nfs/dbraw/zinc/80/11/75/988801175.db2.gz QWIGGUPVRBECKC-DDHJBXDOSA-N 2 0 225.380 1.198 20 0 BDADRP CC(C)[C@@H]1C[C@H](N(C)C[C@H](C)[NH3+])CC[NH2+]1 ZINC001246979496 988809912 /nfs/dbraw/zinc/80/99/12/988809912.db2.gz BJUYQYBWRHRUMR-TUAOUCFPSA-N 2 0 213.369 1.042 20 0 BDADRP CC[C@H]([NH3+])CN(C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246979849 988810778 /nfs/dbraw/zinc/81/07/78/988810778.db2.gz DPQASSNOQDRTDQ-WUHRBBMRSA-N 2 0 225.380 1.329 20 0 BDADRP c1ccc(C[C@@H]2C[C@@H](N3CC[NH2+]C3)CC[NH2+]2)cc1 ZINC001246989734 988820896 /nfs/dbraw/zinc/82/08/96/988820896.db2.gz GXNBFIFRQPCZOY-CABCVRRESA-N 2 0 245.370 1.212 20 0 BDADRP C[C@H]1C[C@H](N2CC[NH2+]C3=CCCC[C@@H]32)CC[NH2+]1 ZINC001246996531 988830206 /nfs/dbraw/zinc/83/02/06/988830206.db2.gz PBGBFFFZAKGMPQ-SCRDCRAPSA-N 2 0 235.375 1.469 20 0 BDADRP CC[N@@H+]1CCN([C@@H]2CC[NH2+][C@H](C)C2)[C@H](C)C1 ZINC001246997925 988833625 /nfs/dbraw/zinc/83/36/25/988833625.db2.gz WDWGGQBVTRAPLR-JHJVBQTASA-N 2 0 225.380 1.153 20 0 BDADRP C[NH2+]CC[C@H](C)N1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001247015216 988834551 /nfs/dbraw/zinc/83/45/51/988834551.db2.gz NKSVDEPEYAEMMP-RWMBFGLXSA-N 2 0 225.380 1.058 20 0 BDADRP C[NH2+]CC[C@H](C)N1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001247015217 988837056 /nfs/dbraw/zinc/83/70/56/988837056.db2.gz NKSVDEPEYAEMMP-XQQFMLRXSA-N 2 0 225.380 1.058 20 0 BDADRP C1C[NH2+][C@@H]2CCN([C@H]3CCCC[NH2+]C3)C[C@H]2C1 ZINC001247014564 988839167 /nfs/dbraw/zinc/83/91/67/988839167.db2.gz LAAAQARWNHOGIQ-HZSPNIEDSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@H]([NH3+])c1nc2cc(C[NH+](C)C)ccc2[nH]1 ZINC001247019948 988843370 /nfs/dbraw/zinc/84/33/70/988843370.db2.gz JDLNRFQZCBYVAQ-QMMMGPOBSA-N 2 0 218.304 1.644 20 0 BDADRP C1C[NH2+][C@@H]2CCN([C@@H]3CCC[NH2+]CC3)C[C@@H]2C1 ZINC001247015890 988845860 /nfs/dbraw/zinc/84/58/60/988845860.db2.gz QZICMZHWNMWIHI-BFHYXJOUSA-N 2 0 237.391 1.202 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001119545558 989153941 /nfs/dbraw/zinc/15/39/41/989153941.db2.gz ZVFDJIOVGQFKRY-ODWCKFRGSA-N 3 0 225.380 1.105 20 0 BDADRP C[NH2+][C@@H](C)CC[NH2+]C1CCC(C(=O)OC)CC1 ZINC001325626400 989219226 /nfs/dbraw/zinc/21/92/26/989219226.db2.gz PORIEUNNCRBDLH-UNXYVOJBSA-N 2 0 242.363 1.306 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+]C1CCC(C(=O)OC)CC1 ZINC001325626401 989222113 /nfs/dbraw/zinc/22/21/13/989222113.db2.gz PORIEUNNCRBDLH-VOMCLLRMSA-N 2 0 242.363 1.306 20 0 BDADRP Cc1n[nH]c(C)c1C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC001119610635 989234912 /nfs/dbraw/zinc/23/49/12/989234912.db2.gz BHKFGWCBNGGYRE-BXKDBHETSA-N 2 0 236.363 1.362 20 0 BDADRP C[C@H]([NH2+]Cc1ccc2c(c1)CCC2)C1C[NH2+]C1 ZINC001325743404 989247931 /nfs/dbraw/zinc/24/79/31/989247931.db2.gz MPGQRRKEKXGOMO-NSHDSACASA-N 2 0 230.355 1.873 20 0 BDADRP C[NH2+][C@H](C)CCN[C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC001325756312 989253241 /nfs/dbraw/zinc/25/32/41/989253241.db2.gz UGWGWXRKWLPENZ-UMVBOHGHSA-N 2 0 249.402 1.533 20 0 BDADRP C[NH2+][C@H](C)CCN[C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC001325756313 989254927 /nfs/dbraw/zinc/25/49/27/989254927.db2.gz UGWGWXRKWLPENZ-VNHYZAJKSA-N 2 0 249.402 1.533 20 0 BDADRP CC[N@@H+]1CCC[C@H](CN[C@H](C)C[C@@H](C)[NH3+])C1 ZINC001326036495 989338622 /nfs/dbraw/zinc/33/86/22/989338622.db2.gz HRGSPGCTVHUCRU-JHJVBQTASA-N 2 0 227.396 1.434 20 0 BDADRP CC(=O)OC[C@@H](C)[NH2+]CCC1CC[NH+](C)CC1 ZINC001120007853 989557967 /nfs/dbraw/zinc/55/79/67/989557967.db2.gz YSGKRWKXYAZUGU-LLVKDONJSA-N 2 0 242.363 1.260 20 0 BDADRP CC[N@@H+]1CCC[C@H](CNc2cc[nH+]c(C)c2)C1 ZINC001120007009 989560726 /nfs/dbraw/zinc/56/07/26/989560726.db2.gz FAZMUTIFCHSJFC-CYBMUJFWSA-N 2 0 233.359 1.956 20 0 BDADRP CC(C)C[NH2+]CC(=O)NCc1ccccc1C[NH3+] ZINC001326569867 989611118 /nfs/dbraw/zinc/61/11/18/989611118.db2.gz KXFCJSPBJFMBFH-UHFFFAOYSA-N 2 0 249.358 1.007 20 0 BDADRP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](CC(C)(C)[NH3+])C[C@@H]2C1 ZINC001120269336 989624581 /nfs/dbraw/zinc/62/45/81/989624581.db2.gz QCTKZWNISAAZRL-RWMBFGLXSA-N 3 0 239.407 1.386 20 0 BDADRP C[C@H](O)[C@H](C)[NH2+]CCN1CCC(C)(C)C1 ZINC001120278194 989627696 /nfs/dbraw/zinc/62/76/96/989627696.db2.gz UFUKOFWOOXARNE-QWRGUYRKSA-N 2 0 214.353 1.077 20 0 BDADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N[C@H](C)CCCC[NH3+] ZINC001521540644 989738898 /nfs/dbraw/zinc/73/88/98/989738898.db2.gz JJGIIIYLTKWJLQ-TUAOUCFPSA-N 2 0 243.395 1.384 20 0 BDADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001122017898 990187705 /nfs/dbraw/zinc/18/77/05/990187705.db2.gz ZCZMAXDIYXEFHY-YFKTTZPYSA-N 2 0 241.379 1.136 20 0 BDADRP C[NH2+][C@@H](C)C(=O)N1C[C@@H](CC[NH3+])c2ccccc21 ZINC001122109569 990243717 /nfs/dbraw/zinc/24/37/17/990243717.db2.gz LMPFSWMSACXQJH-WDEREUQCSA-N 2 0 247.342 1.074 20 0 BDADRP C[C@H](C[NH3+])C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC001122321281 990340802 /nfs/dbraw/zinc/34/08/02/990340802.db2.gz QLXRRTYKWXVXHD-SECBINFHSA-N 2 0 235.331 1.414 20 0 BDADRP [NH3+]C[C@@H]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC001537810946 990516711 /nfs/dbraw/zinc/51/67/11/990516711.db2.gz ONTIRTKDTIJIRW-IHRRRGAJSA-N 2 0 216.328 1.713 20 0 BDADRP C[C@H]1C[C@H](NC(=[NH2+])NCCCC[NH3+])C[C@@H](C)C1 ZINC001258151011 991030941 /nfs/dbraw/zinc/03/09/41/991030941.db2.gz GKNYZIKPKXVAHT-GDNZZTSVSA-N 2 0 240.395 1.664 20 0 BDADRP C[C@@H]1CC(NC(=[NH2+])NCCCC[NH3+])C[C@@H](C)C1 ZINC001258151162 991031954 /nfs/dbraw/zinc/03/19/54/991031954.db2.gz GKNYZIKPKXVAHT-QWRGUYRKSA-N 2 0 240.395 1.664 20 0 BDADRP CSCC[C@H](C)[NH+]1CCC(C)([NH3+])CC1 ZINC001258209324 991126695 /nfs/dbraw/zinc/12/66/95/991126695.db2.gz VBBNUXNXXLNLJD-JTQLQIEISA-N 2 0 216.394 1.941 20 0 BDADRP COC(=O)CC[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC001258350890 991286341 /nfs/dbraw/zinc/28/63/41/991286341.db2.gz DYPADLDDYYGYOV-NWDGAFQWSA-N 2 0 242.363 1.260 20 0 BDADRP CC[C@H](C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1)OC ZINC001560055575 991369333 /nfs/dbraw/zinc/36/93/33/991369333.db2.gz FTVLPHDIQFHAAJ-FRRDWIJNSA-N 2 0 226.364 1.295 20 0 BDADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CC[C@@H](O)C2)CC1 ZINC000353985953 991430171 /nfs/dbraw/zinc/43/01/71/991430171.db2.gz FQBSZLSFRMUYDW-QWHCGFSZSA-N 2 0 240.391 1.752 20 0 BDADRP CC[N@@H+]1CCC[C@@H](CNCc2ccnn2C)C1 ZINC001560297392 991449311 /nfs/dbraw/zinc/44/93/11/991449311.db2.gz CEGUWNWBEBXHCR-LBPRGKRZSA-N 2 0 236.363 1.242 20 0 BDADRP C[NH+]1CCC2(CC[N@H+](Cc3ccnnc3)C2)CC1 ZINC001139983657 991462522 /nfs/dbraw/zinc/46/25/22/991462522.db2.gz FOQBJJVCWQJFTI-UHFFFAOYSA-N 2 0 246.358 1.394 20 0 BDADRP CC[NH+]1CCC(C[NH2+]CCOCCF)CC1 ZINC001560949583 991665898 /nfs/dbraw/zinc/66/58/98/991665898.db2.gz BUQRNFATMGSOHH-UHFFFAOYSA-N 2 0 232.343 1.294 20 0 BDADRP CCCC[C@@H](CCC)[NH2+]CCOCC[NH3+] ZINC001258755428 991700143 /nfs/dbraw/zinc/70/01/43/991700143.db2.gz NQKKCVJQHOSDKF-GFCCVEGCSA-N 2 0 216.369 1.910 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@]2(C)C[C@H](O)C2)CC1 ZINC001258765876 991728461 /nfs/dbraw/zinc/72/84/61/991728461.db2.gz FUBLLYRAEKMYKE-JOCQHMNTSA-N 2 0 226.364 1.364 20 0 BDADRP CCC[NH+]1CCC(n2cc(C[NH3+])cn2)CC1 ZINC001258766376 991728617 /nfs/dbraw/zinc/72/86/17/991728617.db2.gz SKAJFRHEFBYFHR-UHFFFAOYSA-N 2 0 222.336 1.389 20 0 BDADRP CCC[NH+]1CCC(Nc2ccc(C[NH3+])nc2)CC1 ZINC001258769559 991729672 /nfs/dbraw/zinc/72/96/72/991729672.db2.gz VMNXVHJFXGQQGZ-UHFFFAOYSA-N 2 0 248.374 1.827 20 0 BDADRP CCC[NH+]1CCC([N@@H+]2CCC[C@H](OC)C2)CC1 ZINC001258771747 991734743 /nfs/dbraw/zinc/73/47/43/991734743.db2.gz SDSKHRQXKQRSFY-AWEZNQCLSA-N 2 0 240.391 1.972 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC001258767083 991734620 /nfs/dbraw/zinc/73/46/20/991734620.db2.gz OFFXSHJDJVZCCZ-ITGUQSILSA-N 2 0 224.348 1.095 20 0 BDADRP CCC[NH+]1CCC(N2CC[N@H+](C)[C@H](C)C2)CC1 ZINC001258775525 991740380 /nfs/dbraw/zinc/74/03/80/991740380.db2.gz RWHCUEBLOYXBSR-CYBMUJFWSA-N 2 0 239.407 1.497 20 0 BDADRP C[NH+](C)[C@H]1CCCC[C@H]1NC1CC[NH+](C)CC1 ZINC001319211328 991816668 /nfs/dbraw/zinc/81/66/68/991816668.db2.gz LWCKWSKJOVFUNF-KGLIPLIRSA-N 2 0 239.407 1.543 20 0 BDADRP CC(C)CC(CC(C)C)[NH2+]C[C@@H](O)C[NH3+] ZINC001258831968 991865215 /nfs/dbraw/zinc/86/52/15/991865215.db2.gz YKHBZQNTXOIOIV-LBPRGKRZSA-N 2 0 216.369 1.356 20 0 BDADRP CC[C@H](Cc1ccccc1)[NH2+]CCOCC[NH3+] ZINC001258838699 991870401 /nfs/dbraw/zinc/87/04/01/991870401.db2.gz GQDIUYRECFMUHQ-CQSZACIVSA-N 2 0 236.359 1.573 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1COC[C@@H]1F ZINC001258907209 991895117 /nfs/dbraw/zinc/89/51/17/991895117.db2.gz OQZHGXVFUHNROP-AGIUHOORSA-N 2 0 246.370 1.823 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@H]1CO ZINC001258910756 991897801 /nfs/dbraw/zinc/89/78/01/991897801.db2.gz UPKJGSPADMMTFQ-KGLIPLIRSA-N 2 0 242.407 1.954 20 0 BDADRP CC(C)[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001567511725 992052851 /nfs/dbraw/zinc/05/28/51/992052851.db2.gz GGBMIWGWZJFUHS-LBPRGKRZSA-N 2 0 243.395 1.029 20 0 BDADRP CCC[NH2+]CCN(CC)C(=O)C[N@H+](C)C(C)C ZINC001568800291 992215274 /nfs/dbraw/zinc/21/52/74/992215274.db2.gz GVQVZEJERKXNIP-UHFFFAOYSA-N 2 0 243.395 1.175 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC001261424594 992293726 /nfs/dbraw/zinc/29/37/26/992293726.db2.gz YOYPVKCFINRBME-GWOFURMSSA-N 2 0 200.326 1.140 20 0 BDADRP CC[C@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@H+](CC)C1 ZINC001261566656 992389894 /nfs/dbraw/zinc/38/98/94/992389894.db2.gz VBJWZHKWJXHBSJ-RYUDHWBXSA-N 2 0 240.395 1.631 20 0 BDADRP CO[C@H](CC(C)C)C[NH+]1CCC(C[NH3+])CC1 ZINC001573950125 992775368 /nfs/dbraw/zinc/77/53/68/992775368.db2.gz WPOWMPKRHBEROS-CYBMUJFWSA-N 2 0 228.380 1.718 20 0 BDADRP C[NH+](C)[C@@H]1CCCC[C@H]1Nc1cc[nH+]c(CO)c1 ZINC001262354096 992855818 /nfs/dbraw/zinc/85/58/18/992855818.db2.gz YJQUSVTVLPYRQQ-ZIAGYGMSSA-N 2 0 249.358 1.859 20 0 BDADRP C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH2+][C@H]1CCOC1 ZINC001574766770 992899401 /nfs/dbraw/zinc/89/94/01/992899401.db2.gz VTZUJTRYXZGTLH-WVMKXHBISA-N 2 0 224.348 1.286 20 0 BDADRP C1C[C@H](C2CC[NH+]([C@@H]3CCOC3)CC2)C[NH2+]1 ZINC001574774352 992901986 /nfs/dbraw/zinc/90/19/86/992901986.db2.gz LAIFFTKLDLOLTP-QWHCGFSZSA-N 2 0 224.348 1.097 20 0 BDADRP C(C1=NOCC1)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC001574773875 992903324 /nfs/dbraw/zinc/90/33/24/992903324.db2.gz GDLWVSCLZORCRA-NEPJUHHUSA-N 2 0 237.347 1.084 20 0 BDADRP C([NH2+][C@@H]1C[C@@H]2CCC[C@H]12)[C@@H]1CCC2(C[NH2+]C2)O1 ZINC001574816249 992917942 /nfs/dbraw/zinc/91/79/42/992917942.db2.gz BMKAXBBRSAELAH-ZDEQEGDKSA-N 2 0 236.359 1.286 20 0 BDADRP C([NH2+]C1([C@H]2CCCO2)CCC1)[C@H]1CC[NH2+]C1 ZINC001574816506 992918944 /nfs/dbraw/zinc/91/89/44/992918944.db2.gz GXFJTAZUCPXTBL-NWDGAFQWSA-N 2 0 224.348 1.287 20 0 BDADRP CC(=O)OC[C@H](C)[NH2+]CC[C@H]1CCC[NH2+]CC1 ZINC001575029847 992963938 /nfs/dbraw/zinc/96/39/38/992963938.db2.gz RBAKENZNMSRTQO-AAEUAGOBSA-N 2 0 242.363 1.307 20 0 BDADRP CC(C)(C)[C@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC001575125435 992994020 /nfs/dbraw/zinc/99/40/20/992994020.db2.gz RJQMOBIYGPGMCY-FRRDWIJNSA-N 2 0 240.391 1.861 20 0 BDADRP CC(C)(C)[NH2+]CCC(=O)NCCC1(C[NH3+])CC1 ZINC001575141835 992997728 /nfs/dbraw/zinc/99/77/28/992997728.db2.gz PEKOWYWEPGIHDH-UHFFFAOYSA-N 2 0 241.379 1.010 20 0 BDADRP CC(C)(C[NH3+])CN[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001575314961 993012425 /nfs/dbraw/zinc/01/24/25/993012425.db2.gz FWVAWGZTGSZBHS-LLVKDONJSA-N 2 0 227.396 1.434 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](CNc2cc[nH+]cc2)C1 ZINC001262672632 993014742 /nfs/dbraw/zinc/01/47/42/993014742.db2.gz GUSDPQLZWKAENY-KLPPZKSPSA-N 2 0 205.305 1.256 20 0 BDADRP CC(C)[C@H](C[NH3+])C[NH2+][C@@H]1CC[C@@H]([S@@](C)=O)C1 ZINC001575423073 993039346 /nfs/dbraw/zinc/03/93/46/993039346.db2.gz OROZVAWEIIBOFU-DSZLRUIBSA-N 2 0 246.420 1.107 20 0 BDADRP CC(C)[C@@H](C[NH3+])C[NH2+]C[C@H](CO)CC1CC1 ZINC001575422272 993042351 /nfs/dbraw/zinc/04/23/51/993042351.db2.gz GZLKZWSRQWWCCX-OLZOCXBDSA-N 2 0 228.380 1.216 20 0 BDADRP CC(C)[C@H](O)CC[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC001575471554 993051903 /nfs/dbraw/zinc/05/19/03/993051903.db2.gz JOAMPCXKCQHWSP-SDDRHHMPSA-N 2 0 214.353 1.110 20 0 BDADRP CC(C)C[C@@H](CNCC12CC(C1)C[NH2+]2)[NH+](C)C ZINC001575544245 993068463 /nfs/dbraw/zinc/06/84/63/993068463.db2.gz GTKGHNDJDGPIQE-MOKVOYLWSA-N 2 0 239.407 1.304 20 0 BDADRP CC(C)C[C@@H](C[NH+](C)C)NCC12CC(C1)C[NH2+]2 ZINC001575618295 993086086 /nfs/dbraw/zinc/08/60/86/993086086.db2.gz DFEQVSRNVGNNGG-MOKVOYLWSA-N 2 0 239.407 1.304 20 0 BDADRP CC(C)C[C@@H](CO)[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC001575618257 993086335 /nfs/dbraw/zinc/08/63/35/993086335.db2.gz BVECIAUFGMRPDE-DCAQKATOSA-N 2 0 214.353 1.109 20 0 BDADRP CC(C)[NH+]1CCC(NCC2([NH3+])CCC2)CC1 ZINC001575696438 993096692 /nfs/dbraw/zinc/09/66/92/993096692.db2.gz AQBBSNIFJXNBKF-UHFFFAOYSA-N 2 0 225.380 1.330 20 0 BDADRP CC(C)[C@@H]1C[C@H]1[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC001575831235 993109642 /nfs/dbraw/zinc/10/96/42/993109642.db2.gz GEOJWMPEPJSDFR-IRCOFANPSA-N 2 0 208.349 1.890 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCCN(C)C1 ZINC001575839267 993112352 /nfs/dbraw/zinc/11/23/52/993112352.db2.gz VHDIZUYOXHPUQL-VXGBXAGGSA-N 2 0 213.369 1.044 20 0 BDADRP C[C@@H](NC(=O)[C@@H]([NH3+])C1CCCCCC1)[C@H](C)[NH3+] ZINC001263110471 993120166 /nfs/dbraw/zinc/12/01/66/993120166.db2.gz WVHCZTIAAPZXHS-UMNHJUIQSA-N 2 0 241.379 1.136 20 0 BDADRP C[C@@H](CC(C)(C)O)[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001575932101 993128615 /nfs/dbraw/zinc/12/86/15/993128615.db2.gz OEINLWDMHZOALT-ZSWLNHAKSA-N 2 0 212.337 1.005 20 0 BDADRP C[C@H](CC1CCCC1)[NH2+]C[C@@]1(O)CC[NH2+]C1 ZINC001575933706 993131765 /nfs/dbraw/zinc/13/17/65/993131765.db2.gz JRVMVSLMRZPBAF-DGCLKSJQSA-N 2 0 226.364 1.269 20 0 BDADRP C[C@H](C[C@@H]1CCOC1)[NH2+]CC1([NH3+])CCC1 ZINC001575940998 993133527 /nfs/dbraw/zinc/13/35/27/993133527.db2.gz GMBRSOJLJYONAI-MNOVXSKESA-N 2 0 212.337 1.273 20 0 BDADRP C[C@@H](C[C@@H]1CCOC1)[NH2+]CC1CC[NH2+]CC1 ZINC001575941173 993134420 /nfs/dbraw/zinc/13/44/20/993134420.db2.gz LFXXYSFNHZNBOT-AAEUAGOBSA-N 2 0 226.364 1.391 20 0 BDADRP CC(C)C[C@@H]([NH3+])CC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001263167952 993144684 /nfs/dbraw/zinc/14/46/84/993144684.db2.gz ZJCXSZJWXXYHBF-QJPTWQEYSA-N 2 0 241.379 1.007 20 0 BDADRP CC(C)OC[C@@H](C)[NH2+]C1CC2(CC([NH3+])C2)C1 ZINC001576042305 993164133 /nfs/dbraw/zinc/16/41/33/993164133.db2.gz UMZCZPODMGRFQN-PEWWYSNMSA-N 2 0 226.364 1.659 20 0 BDADRP C[C@H](Cc1cnccn1)[NH2+]C1CC2(CC([NH3+])C2)C1 ZINC001576065621 993171458 /nfs/dbraw/zinc/17/14/58/993171458.db2.gz GIKXPGLVACPDML-AZAQEYEISA-N 2 0 246.358 1.267 20 0 BDADRP C[C@@H]([N@H+](C)C[C@H]1CC[C@@H]([NH3+])C1)C(C)(C)O ZINC001576081771 993172751 /nfs/dbraw/zinc/17/27/51/993172751.db2.gz QHOSWFJJYLMTAM-OUAUKWLOSA-N 2 0 214.353 1.205 20 0 BDADRP Cc1ncccc1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC000378675456 993199914 /nfs/dbraw/zinc/19/99/14/993199914.db2.gz OLSHQBJAEVPZEJ-CYBMUJFWSA-N 2 0 219.332 1.703 20 0 BDADRP [NH3+][C@@H]1CCC[N@H+](CCOc2ccccc2)CC1 ZINC000378794084 993203854 /nfs/dbraw/zinc/20/38/54/993203854.db2.gz PJMCZFXTGXTNPA-CYBMUJFWSA-N 2 0 234.343 1.879 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)[C@H]1COC(C)(C)O1 ZINC001576239005 993225941 /nfs/dbraw/zinc/22/59/41/993225941.db2.gz KKCYQEHHRHZGKN-NNYUYHANSA-N 2 0 242.363 1.243 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)[C@H]1COC(C)(C)O1 ZINC001576239543 993227344 /nfs/dbraw/zinc/22/73/44/993227344.db2.gz PGUHSEDDUVECDJ-FIQHERPVSA-N 2 0 242.363 1.386 20 0 BDADRP CC1(C)[C@H]([NH2+]C[C@@H]2CCCC[C@H]2O)C[C@@H]1[NH3+] ZINC001576379914 993286019 /nfs/dbraw/zinc/28/60/19/993286019.db2.gz CAMRNPVRZPXBPV-WHOHXGKFSA-N 2 0 226.364 1.253 20 0 BDADRP CC1(C)[C@H]([NH2+]Cc2ccc3c[nH]nc3c2)C[C@@H]1[NH3+] ZINC001576380283 993286370 /nfs/dbraw/zinc/28/63/70/993286370.db2.gz MLAOSNRUNMXPEK-QWHCGFSZSA-N 2 0 244.342 1.778 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC[C@@H](O)c1ccccc1 ZINC001576384117 993289578 /nfs/dbraw/zinc/28/95/78/993289578.db2.gz UAPZBPYZPRGSJD-MGPQQGTHSA-N 2 0 248.370 1.826 20 0 BDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC1(C2(O)CCC2)CC1 ZINC001576381630 993290878 /nfs/dbraw/zinc/29/08/78/993290878.db2.gz CDOBWKQJYLJRNC-QWRGUYRKSA-N 2 0 238.375 1.397 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC[C@@H](O)c1ccccc1 ZINC001576384114 993291020 /nfs/dbraw/zinc/29/10/20/993291020.db2.gz UAPZBPYZPRGSJD-MCIONIFRSA-N 2 0 248.370 1.826 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC001576381677 993291365 /nfs/dbraw/zinc/29/13/65/993291365.db2.gz DEFRPERUUVCDRM-NTZHIAQWSA-N 2 0 236.359 1.125 20 0 BDADRP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]CC2)CO1 ZINC001576393809 993297104 /nfs/dbraw/zinc/29/71/04/993297104.db2.gz KZZOKPYCFUOHBE-VXGBXAGGSA-N 2 0 226.364 1.533 20 0 BDADRP CC1(C)CCC[C@]1(O)C[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001576426424 993304380 /nfs/dbraw/zinc/30/43/80/993304380.db2.gz HIIBTPJRNFFJGN-FDWMKNOZSA-N 2 0 238.375 1.397 20 0 BDADRP CC1(C)CC[N@H+](CCN[C@@H]2CCC[NH2+]C2)C1 ZINC001576440859 993307528 /nfs/dbraw/zinc/30/75/28/993307528.db2.gz UDCLDYXGQWUDDG-GFCCVEGCSA-N 2 0 225.380 1.060 20 0 BDADRP CC1(C)OC[C@H](C[N@@H+]2CCCC[C@@H]2CC[NH3+])O1 ZINC001576494735 993316671 /nfs/dbraw/zinc/31/66/71/993316671.db2.gz FFWZXTARJOOWCI-NEPJUHHUSA-N 2 0 242.363 1.341 20 0 BDADRP CC1(C)CO[C@@H](C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)C1 ZINC001576484157 993319451 /nfs/dbraw/zinc/31/94/51/993319451.db2.gz OFXMKFZGWCXZGU-FRRDWIJNSA-N 2 0 238.375 1.343 20 0 BDADRP C[C@@H]1[C@@H](CO)CC[N@@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC001576574813 993349649 /nfs/dbraw/zinc/34/96/49/993349649.db2.gz YUIDATYYBBHZBL-JHJVBQTASA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H]1[C@@H](CO)CC[N@@H+]1C[C@]1(C)CCC[NH2+]C1 ZINC001576572305 993351063 /nfs/dbraw/zinc/35/10/63/993351063.db2.gz KOCRCHYSYNXENY-JHJVBQTASA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H]1[C@@H](N(C)C)CC[N@@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576573610 993351671 /nfs/dbraw/zinc/35/16/71/993351671.db2.gz SNPPSLKXUNOBGT-XQHKEYJVSA-N 2 0 225.380 1.138 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)CCO1 ZINC001576625000 993358350 /nfs/dbraw/zinc/35/83/50/993358350.db2.gz VQSJUNKADDXNPP-WOPDTQHZSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+]CCC2CSC2)CC[NH2+]1 ZINC001576596868 993361533 /nfs/dbraw/zinc/36/15/33/993361533.db2.gz BFRGPNVDTPMRGB-GHMZBOCLSA-N 2 0 228.405 1.717 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C2CC3(C[C@H]3[NH3+])C2)CS1 ZINC001576625034 993373959 /nfs/dbraw/zinc/37/39/59/993373959.db2.gz WQYKOGQHAFTSQP-RBYJBEHXSA-N 2 0 212.362 1.350 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C2CC3(C[C@@H]3[NH3+])C2)[C@H](C)O1 ZINC001576623929 993374064 /nfs/dbraw/zinc/37/40/64/993374064.db2.gz MUMJLZZLXHPZKT-OQNINORHSA-N 2 0 210.321 1.022 20 0 BDADRP C[C@H]1C[C@@H](Nc2cc[nH+]cc2)C[N@@H+]1C1CC1 ZINC000381306652 993385863 /nfs/dbraw/zinc/38/58/63/993385863.db2.gz KNPFACONALWIPV-CMPLNLGQSA-N 2 0 217.316 1.541 20 0 BDADRP C[C@@H]1CCC[C@]1(O)C[NH2+]CC1(C[NH3+])CCC1 ZINC001576681104 993392848 /nfs/dbraw/zinc/39/28/48/993392848.db2.gz ZXHYBVSMLYLRLT-YPMHNXCESA-N 2 0 226.364 1.256 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C[C@@H]1O ZINC001576729153 993405246 /nfs/dbraw/zinc/40/52/46/993405246.db2.gz DUTDNXJLDQDUFZ-UPJWGTAASA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2cc[nH]c(=O)c2)C[C@H]1C[NH3+] ZINC001576734693 993411929 /nfs/dbraw/zinc/41/19/29/993411929.db2.gz IMWREGDFBSVYRY-ZYHUDNBSSA-N 2 0 235.331 1.204 20 0 BDADRP COC(=O)CC[C@H](C)[NH2+]C[C@@H]1CCCN1C ZINC000381701331 993418155 /nfs/dbraw/zinc/41/81/55/993418155.db2.gz IMAHQPIXRRMTHG-QWRGUYRKSA-N 2 0 228.336 1.012 20 0 BDADRP C[C@H]1C[N@H+](CC23CC(C)(C2)OC3)CC[C@@H]1[NH3+] ZINC001576801687 993427098 /nfs/dbraw/zinc/42/70/98/993427098.db2.gz SWVNYJYLQZXZOL-ZSVAQUKISA-N 2 0 224.348 1.225 20 0 BDADRP CC(C)[N@@H+](C)C[C@@H](C)N[C@H]1C[NH2+]C[C@H](C)C1 ZINC001576849070 993432442 /nfs/dbraw/zinc/43/24/42/993432442.db2.gz BCXWWMUHIIJHLE-JHJVBQTASA-N 2 0 227.396 1.303 20 0 BDADRP C[C@H]1C[NH2+]C[C@@H](NCc2cc(N(C)C)cc[nH+]2)C1 ZINC001576849890 993433574 /nfs/dbraw/zinc/43/35/74/993433574.db2.gz MGUCACKZXXZKFB-NEPJUHHUSA-N 2 0 248.374 1.235 20 0 BDADRP C[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576855585 993435940 /nfs/dbraw/zinc/43/59/40/993435940.db2.gz UWOQUDAQCSWHMY-WRWGMCAJSA-N 2 0 212.337 1.128 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+]C[C@@H]1CCC[NH2+]CC1 ZINC001576903075 993447347 /nfs/dbraw/zinc/44/73/47/993447347.db2.gz FMSOKLQESBKQCK-TUAOUCFPSA-N 2 0 212.337 1.143 20 0 BDADRP CC[C@@H](C)[C@@H](C[NH+]1CC2(C1)CC[NH2+]CC2)OC ZINC001576960514 993468704 /nfs/dbraw/zinc/46/87/04/993468704.db2.gz FCRHTAGPKHBLHA-CHWSQXEVSA-N 2 0 240.391 1.733 20 0 BDADRP CC[C@@H](C)[N@@H+](CC(=O)OC)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576996724 993482055 /nfs/dbraw/zinc/48/20/55/993482055.db2.gz WIYBPXFHELPBQC-GRYCIOLGSA-N 2 0 242.363 1.387 20 0 BDADRP CC[C@H](C)C[NH2+]CCCCCN1CC[NH2+]CC1 ZINC001576992820 993483242 /nfs/dbraw/zinc/48/32/42/993483242.db2.gz PCULJMPPNLKUPB-AWEZNQCLSA-N 2 0 241.423 1.698 20 0 BDADRP CC[C@@H](C)[N@H+](CCO)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576996422 993483385 /nfs/dbraw/zinc/48/33/85/993483385.db2.gz RDJYWSREIZGNCU-GRYCIOLGSA-N 2 0 214.353 1.207 20 0 BDADRP CC[C@H](C[C@H](C)CO)[NH2+]C[C@H](N)CC(F)F ZINC001577044129 993487911 /nfs/dbraw/zinc/48/79/11/993487911.db2.gz OZOBNUHEZSCTTA-IVZWLZJFSA-N 2 0 238.322 1.356 20 0 BDADRP CCC(CC)(C[NH3+])[NH2+]C[C@@H]1CCC=CO1 ZINC001577058673 993489338 /nfs/dbraw/zinc/48/93/38/993489338.db2.gz BLESVPVWDZTDCJ-NSHDSACASA-N 2 0 212.337 1.786 20 0 BDADRP CCC(CC)(C[NH3+])NC(=O)[C@@H](C)CC[NH+](C)C ZINC001577052549 993489623 /nfs/dbraw/zinc/48/96/23/993489623.db2.gz WQNKMUQIKGLAKN-NSHDSACASA-N 2 0 243.395 1.208 20 0 BDADRP CCC(CC)(C[NH3+])NC(=O)C[N@H+](C)C1CCC1 ZINC001577051835 993489947 /nfs/dbraw/zinc/48/99/47/993489947.db2.gz BCJOZCCYEZUVGY-UHFFFAOYSA-N 2 0 241.379 1.104 20 0 BDADRP CC[C@@H](C[NH2+][C@@H]1CCCC[C@H]1[NH3+])OC ZINC001577090580 993497974 /nfs/dbraw/zinc/49/79/74/993497974.db2.gz SWJCWAWFJFRHRZ-HBNTYKKESA-N 2 0 200.326 1.271 20 0 BDADRP CC[C@H](CO)[N@@H+]1C[C@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001577090097 993499616 /nfs/dbraw/zinc/49/96/16/993499616.db2.gz PKQVVAFVISCWLI-JHJVBQTASA-N 2 0 226.364 1.208 20 0 BDADRP CC[C@@H](Cc1ccccc1)[NH2+]C[C@@]1(O)CC[NH2+]C1 ZINC001577096509 993503207 /nfs/dbraw/zinc/50/32/07/993503207.db2.gz PDYIBXPTLVVEKW-LSDHHAIUSA-N 2 0 248.370 1.322 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+]C[C@@]1(C)CCCCO1 ZINC001577124938 993517873 /nfs/dbraw/zinc/51/78/73/993517873.db2.gz YOBJTTRNUDFBBJ-GHMZBOCLSA-N 2 0 200.326 1.273 20 0 BDADRP COC[C@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000383832736 993522456 /nfs/dbraw/zinc/52/24/56/993522456.db2.gz RNWQNNACMZUOGL-CYBMUJFWSA-N 2 0 226.364 1.487 20 0 BDADRP CC[C@@H]([NH2+]C)C(=O)NCc1c[nH]c(C(C)C)n1 ZINC001577172186 993527150 /nfs/dbraw/zinc/52/71/50/993527150.db2.gz OEEDMTDKUUPEQR-SNVBAGLBSA-N 2 0 238.335 1.147 20 0 BDADRP CC[C@@H]([NH2+]CC(CC)(CC)C[NH3+])[C@@H](C)O ZINC001577175929 993534946 /nfs/dbraw/zinc/53/49/46/993534946.db2.gz MWMZBDADFIEVHT-GHMZBOCLSA-N 2 0 216.369 1.501 20 0 BDADRP CC[C@@H]([NH2+]C)C(=O)Nc1ccc2c[nH+]cn2c1 ZINC001577175584 993535257 /nfs/dbraw/zinc/53/52/57/993535257.db2.gz CBYGMAOZXJTWJU-LLVKDONJSA-N 2 0 232.287 1.271 20 0 BDADRP CC[C@@H]1CCC[C@@H]([NH2+]C[C@H]2C[NH2+]C[C@H]2O)C1 ZINC001577246898 993549396 /nfs/dbraw/zinc/54/93/96/993549396.db2.gz VZEHTXYUWAAMSS-FDYHWXHSSA-N 2 0 226.364 1.125 20 0 BDADRP CC[C@H]1C[C@@H]([NH2+][C@H]2CC[NH2+][C@@H]2C)CCO1 ZINC001577242966 993556740 /nfs/dbraw/zinc/55/67/40/993556740.db2.gz YDVFORMEZZHWED-RHYQMDGZSA-N 2 0 212.337 1.284 20 0 BDADRP CC[C@@H]1CCC[C@@H]([NH2+]C[C@]2(O)CC[NH2+]C2)C1 ZINC001577246888 993557776 /nfs/dbraw/zinc/55/77/76/993557776.db2.gz VKVXHCNFAYLUBW-UPJWGTAASA-N 2 0 226.364 1.269 20 0 BDADRP CC[C@@H]1CC[N@H+](C[C@]2(O)CCC[NH2+]C2)[C@H]1C ZINC001577262273 993565725 /nfs/dbraw/zinc/56/57/25/993565725.db2.gz FNAVJCSMITZNKL-XQQFMLRXSA-N 2 0 226.364 1.221 20 0 BDADRP CC[C@@H]1CN(C)CC[N@@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001577279465 993576008 /nfs/dbraw/zinc/57/60/08/993576008.db2.gz HTJZLZASBATZRR-YNEHKIRRSA-N 2 0 225.380 1.140 20 0 BDADRP CC[NH+](CC)C1CCN(C[C@@H](C)[NH3+])CC1 ZINC000384585261 993603897 /nfs/dbraw/zinc/60/38/97/993603897.db2.gz UIKTWRGIHQLSNP-LLVKDONJSA-N 2 0 213.369 1.140 20 0 BDADRP CCC[C@H](CCO)[NH2+]C[C@H]([NH3+])CC(F)F ZINC001577358096 993614259 /nfs/dbraw/zinc/61/42/59/993614259.db2.gz PFHZMUICUSLYDA-RKDXNWHRSA-N 2 0 224.295 1.110 20 0 BDADRP CCC[C@H](C[NH2+]C1CC2(CC([NH3+])C2)C1)OC ZINC001577358216 993614847 /nfs/dbraw/zinc/61/48/47/993614847.db2.gz UUWWNFQDMHMTJB-AYNROABZSA-N 2 0 226.364 1.661 20 0 BDADRP CCC[C@H](CCO)[NH2+]CCC1([NH3+])CCOCC1 ZINC001577357911 993618102 /nfs/dbraw/zinc/61/81/02/993618102.db2.gz KIXPFZSZMMKGMX-GFCCVEGCSA-N 2 0 244.379 1.025 20 0 BDADRP CCC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC001577367949 993622278 /nfs/dbraw/zinc/62/22/78/993622278.db2.gz BRDUIHXPXGSTFI-GMTAPVOTSA-N 2 0 200.326 1.007 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)C[N@H+](CC)C1CC1 ZINC001577390303 993637663 /nfs/dbraw/zinc/63/76/63/993637663.db2.gz JVTTWIZDKUBVCP-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)C[N@H+](CC)C1CC1 ZINC001577390305 993638599 /nfs/dbraw/zinc/63/85/99/993638599.db2.gz JVTTWIZDKUBVCP-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP CCCC[N@H+](CCCO)CCC[NH2+]C ZINC001577455245 993664074 /nfs/dbraw/zinc/66/40/74/993664074.db2.gz YOHONEWNHRHOMW-UHFFFAOYSA-N 2 0 202.342 1.080 20 0 BDADRP CCCC[N@H+](CCCO)CC1(C[NH3+])CC1 ZINC001577454399 993664384 /nfs/dbraw/zinc/66/43/84/993664384.db2.gz FTUYEQGPASYOQL-UHFFFAOYSA-N 2 0 214.353 1.210 20 0 BDADRP CCCN(CCC[NH+](C)C)C(=O)[C@H](C)[C@@H](C)[NH3+] ZINC001577519760 993675243 /nfs/dbraw/zinc/67/52/43/993675243.db2.gz VNEZSBDSHIYHDJ-VXGBXAGGSA-N 2 0 243.395 1.160 20 0 BDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)CC1([NH3+])CC1 ZINC001577510517 993677386 /nfs/dbraw/zinc/67/73/86/993677386.db2.gz QQLCEIDQIDBXDS-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP CCCN(CC)C[C@@H](C)[NH2+]C1CC(C[NH3+])C1 ZINC001577510635 993677521 /nfs/dbraw/zinc/67/75/21/993677521.db2.gz WKDMMWUNBGLKII-PNESKVBLSA-N 2 0 227.396 1.434 20 0 BDADRP CCCN(CC[NH+](CC)CC)C(=O)C[C@H](C)[NH3+] ZINC001577519692 993677590 /nfs/dbraw/zinc/67/75/90/993677590.db2.gz SNHAMUVZVUHHHW-LBPRGKRZSA-N 2 0 243.395 1.304 20 0 BDADRP CCCN(CC[NH+](CC)CC)C(=O)CC[NH2+]C ZINC001577519899 993681567 /nfs/dbraw/zinc/68/15/67/993681567.db2.gz ZUHQASSPQAYOFT-UHFFFAOYSA-N 2 0 243.395 1.176 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CC23CCOCC3)CC1 ZINC000386949238 993699252 /nfs/dbraw/zinc/69/92/52/993699252.db2.gz WHHYMCIRTLGAHW-STQMWFEESA-N 2 0 238.375 1.629 20 0 BDADRP CC[N@H+](C)[C@@H]1CCN(CCC[NH2+]C2CC2)C1 ZINC001577655174 993706855 /nfs/dbraw/zinc/70/68/55/993706855.db2.gz UPHCPCDUUOBWAO-CYBMUJFWSA-N 2 0 225.380 1.155 20 0 BDADRP CCN(C)c1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])C2)cn1 ZINC001577657953 993713915 /nfs/dbraw/zinc/71/39/15/993713915.db2.gz UWXYAXVAVXZUSY-TXEJJXNPSA-N 2 0 234.347 1.117 20 0 BDADRP CCSC[C@H](C)N(C)C[C@@H]1CCC[NH2+]1 ZINC000389964100 993771558 /nfs/dbraw/zinc/77/15/58/993771558.db2.gz WUGSNNCLBXSFDY-QWRGUYRKSA-N 2 0 216.394 1.812 20 0 BDADRP CC(C)C[NH+]1CCC(N(C)C[C@H](C)[NH3+])CC1 ZINC000390254036 993779700 /nfs/dbraw/zinc/77/97/00/993779700.db2.gz VNOHZZJEMCZDCR-LBPRGKRZSA-N 2 0 227.396 1.386 20 0 BDADRP CC[N@H+](C)CCC(=O)NCCC[NH+](C)C(C)C ZINC001265056108 993812488 /nfs/dbraw/zinc/81/24/88/993812488.db2.gz VLISXSONOIPYPP-UHFFFAOYSA-N 2 0 243.395 1.175 20 0 BDADRP CCO[C@@H]1CCN([C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000701663801 993900983 /nfs/dbraw/zinc/90/09/83/993900983.db2.gz QRNQMOGMEDSHHA-IJLUTSLNSA-N 2 0 212.337 1.238 20 0 BDADRP CCC1(C[NH2+][C@H]2CCC[N@H+](C)CC2)COC1 ZINC000393965337 994024641 /nfs/dbraw/zinc/02/46/41/994024641.db2.gz NKSKRNDREQHWDD-LBPRGKRZSA-N 2 0 226.364 1.487 20 0 BDADRP CCc1nc(C)cc(N[C@@H]2C[NH+]3CCC2CC3)n1 ZINC000394133478 994042793 /nfs/dbraw/zinc/04/27/93/994042793.db2.gz CNWTZTBDXCPMQX-GFCCVEGCSA-N 2 0 246.358 1.275 20 0 BDADRP CC[C@H]([NH3+])CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000394155835 994046923 /nfs/dbraw/zinc/04/69/23/994046923.db2.gz KFLWTMGBCOXTJJ-ACJTYDJDSA-N 2 0 225.380 1.281 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000724230689 994061842 /nfs/dbraw/zinc/06/18/42/994061842.db2.gz QHYVAFRGQDCENY-IYKVGLELSA-N 2 0 212.337 1.364 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H](C)Cc1ccn(C(C)C)n1 ZINC000414995091 398138391 /nfs/dbraw/zinc/13/83/91/398138391.db2.gz VTOCOJSTHUKXHU-RYUDHWBXSA-N 2 0 238.379 1.722 20 0 BDADRP CCC(CC)(C[NH3+])C(=O)N(C)CC(C)(C)C[NH3+] ZINC000337540693 168321292 /nfs/dbraw/zinc/32/12/92/168321292.db2.gz IGJUDIFJPBINFT-UHFFFAOYSA-N 2 0 243.395 1.195 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCC1(C)C ZINC000336656211 398144399 /nfs/dbraw/zinc/14/43/99/398144399.db2.gz AIASAWKRAYPOAO-QWRGUYRKSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@H](C[C@@H]1CCCO1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422907813 398158074 /nfs/dbraw/zinc/15/80/74/398158074.db2.gz XRTCYNWKPZAHPO-NDBYEHHHSA-N 2 0 226.364 1.674 20 0 BDADRP CC[C@H]([NH3+])C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000040803410 398168596 /nfs/dbraw/zinc/16/85/96/398168596.db2.gz PCMAARGGFHVABR-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C1CCC(CO)CC1 ZINC000379835315 398170510 /nfs/dbraw/zinc/17/05/10/398170510.db2.gz DIRPBVWDSLQMJO-YIOUJQMASA-N 2 0 240.391 1.645 20 0 BDADRP C([C@@H]1CC[NH2+]C1)[N@@H+]1CCC[C@H]1C1CCC1 ZINC000390454131 398173808 /nfs/dbraw/zinc/17/38/08/398173808.db2.gz CCYCBOBTIPCGMF-YPMHNXCESA-N 2 0 208.349 1.860 20 0 BDADRP CC[C@@](C)(C[NH2+][C@@H](C)CC[NH+](C)C)OC ZINC000379987135 398179855 /nfs/dbraw/zinc/17/98/55/398179855.db2.gz VQRJWHUCUOGPMX-RYUDHWBXSA-N 2 0 216.369 1.731 20 0 BDADRP Cc1ccc(C[NH2+]C[C@@H]2CNCCO2)cc1F ZINC000415095213 398160929 /nfs/dbraw/zinc/16/09/29/398160929.db2.gz LWGGPTJVNXRTJD-LBPRGKRZSA-N 2 0 238.306 1.212 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCCOCC1)[C@@H]1CCC[NH2+]1 ZINC000423024485 398163328 /nfs/dbraw/zinc/16/33/28/398163328.db2.gz JODNVDWHUJXBJY-WOPDTQHZSA-N 2 0 212.337 1.286 20 0 BDADRP CCC[C@H](O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000649351913 398163942 /nfs/dbraw/zinc/16/39/42/398163942.db2.gz PYOIMUUBWBOYQU-AWEZNQCLSA-N 2 0 249.358 1.365 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCc3cn[nH]c3)C[C@@H]21 ZINC000379746317 398163973 /nfs/dbraw/zinc/16/39/73/398163973.db2.gz BWXGSPNMMFCIMZ-RWMBFGLXSA-N 2 0 234.347 1.011 20 0 BDADRP CC[C@H]([NH2+][C@H](C)CCCC[NH3+])[C@@H](O)C(C)C ZINC000423174496 398164231 /nfs/dbraw/zinc/16/42/31/398164231.db2.gz CFZXPUOAINFHEJ-AGIUHOORSA-N 2 0 230.396 1.889 20 0 BDADRP C[C@@H](CC(N)=O)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000341984976 398186098 /nfs/dbraw/zinc/18/60/98/398186098.db2.gz YMQGZVIUJBWUDV-WDEREUQCSA-N 2 0 243.395 1.206 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]CC2CCOCC2)CC1 ZINC000052175827 398190303 /nfs/dbraw/zinc/19/03/03/398190303.db2.gz KPMJVWFKECOJNV-UHFFFAOYSA-N 2 0 240.391 1.875 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCS[C@@H]1C ZINC000380364206 398196064 /nfs/dbraw/zinc/19/60/64/398196064.db2.gz ZWXFRUCQDOXZDY-OUAUKWLOSA-N 2 0 232.393 1.224 20 0 BDADRP Cc1cc(N2CCC[N@@H+]([C@H](C)CO)CC2)cc[nH+]1 ZINC000365348935 178113761 /nfs/dbraw/zinc/11/37/61/178113761.db2.gz XZIMECOCPSXNQU-CYBMUJFWSA-N 2 0 249.358 1.283 20 0 BDADRP C[C@@H]1[C@H](C)OCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000380588357 398201408 /nfs/dbraw/zinc/20/14/08/398201408.db2.gz SCBNHUFZRDZPPM-OLZOCXBDSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1cc(N2CC[C@H]([C@H](C)[NH3+])C2)cc[nH+]1 ZINC000229577391 178118997 /nfs/dbraw/zinc/11/89/97/178118997.db2.gz AGXTWQQHUADLGZ-QWRGUYRKSA-N 2 0 205.305 1.564 20 0 BDADRP Cc1cc(N2CC[C@@]3(C2)CCC[N@@H+](C)C3)ncn1 ZINC000338748562 178119367 /nfs/dbraw/zinc/11/93/67/178119367.db2.gz WTMLRNODCIZSHB-AWEZNQCLSA-N 2 0 246.358 1.707 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386466724 398208583 /nfs/dbraw/zinc/20/85/83/398208583.db2.gz PZBHVMBBRYYIKK-BFHYXJOUSA-N 2 0 241.423 1.837 20 0 BDADRP CC[N@@H+]1CC[C@H](N(C)C[C@H]2CC[NH2+]C2)C[C@H]1C ZINC000649413767 398212094 /nfs/dbraw/zinc/21/20/94/398212094.db2.gz CIFQNMYLGDLRMB-RDBSUJKOSA-N 2 0 239.407 1.401 20 0 BDADRP c1ccc([C@@H]2CCC[N@H+]2C[C@H]2CC[NH2+]C2)nc1 ZINC000649411669 398213072 /nfs/dbraw/zinc/21/30/72/398213072.db2.gz PWIZTKUDHSGLQK-JSGCOSHPSA-N 2 0 231.343 1.828 20 0 BDADRP CCC[N@H+](C)C[C@@H]1CCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000649414409 398213171 /nfs/dbraw/zinc/21/31/71/398213171.db2.gz YHOCVMZEECCXPQ-KGLIPLIRSA-N 2 0 239.407 1.260 20 0 BDADRP Cc1cc(C)n(CC[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)n1 ZINC000386809870 398220168 /nfs/dbraw/zinc/22/01/68/398220168.db2.gz RPIGLNPZVMFZJJ-ZWNOBZJWSA-N 2 0 236.363 1.169 20 0 BDADRP Cc1cc(C)n(CC[N@@H+](C)CC(C)(C)C[NH3+])n1 ZINC000386827799 398221087 /nfs/dbraw/zinc/22/10/87/398221087.db2.gz VIGVOVURVBCWKS-UHFFFAOYSA-N 2 0 238.379 1.417 20 0 BDADRP CCC(CC)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000336673925 168351655 /nfs/dbraw/zinc/35/16/55/168351655.db2.gz GWBYVMDWDFSQPB-OLZOCXBDSA-N 2 0 210.365 1.964 20 0 BDADRP COCCCCC[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430557203 398228172 /nfs/dbraw/zinc/22/81/72/398228172.db2.gz SBOGVXAWMLFLSY-STQMWFEESA-N 2 0 228.380 1.862 20 0 BDADRP C[C@@H]1C[C@@H](N2CCC[C@H]([NH+](C)C)C2)CC[NH2+]1 ZINC000229549150 538939710 /nfs/dbraw/zinc/93/97/10/538939710.db2.gz WROMIHKYSGXTLR-AGIUHOORSA-N 2 0 225.380 1.153 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@@H](C)CCCC[NH3+] ZINC000336700401 398239761 /nfs/dbraw/zinc/23/97/61/398239761.db2.gz PGAWWQSTSBNQSU-RYUDHWBXSA-N 2 0 216.369 1.502 20 0 BDADRP C[N@H+](CC1CC[NH2+]CC1)[C@@H]1CCN(C2CC2)C1 ZINC000094010900 398244458 /nfs/dbraw/zinc/24/44/58/398244458.db2.gz JJUHZLBAEXOZKG-CQSZACIVSA-N 2 0 237.391 1.155 20 0 BDADRP C[N@H+](CCC(C)(C)O)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367214076 398249066 /nfs/dbraw/zinc/24/90/66/398249066.db2.gz ZISFCTRSYALYPC-FUNVUKJBSA-N 2 0 240.391 1.704 20 0 BDADRP CC[C@H](C)[C@H](C[NH2+]C[C@H]1CCC[N@H+](C)C1)OC ZINC000381337604 398252351 /nfs/dbraw/zinc/25/23/51/398252351.db2.gz AUEJXUFGEUESIB-MJBXVCDLSA-N 2 0 242.407 1.979 20 0 BDADRP CC[C@@H]1CN(Cc2ccon2)CC[C@H]1[NH3+] ZINC000381346704 398253546 /nfs/dbraw/zinc/25/35/46/398253546.db2.gz ZHKVVEMFBDLFAD-MWLCHTKSSA-N 2 0 209.293 1.234 20 0 BDADRP CO[C@@H](C[NH2+]C[C@H]1CCC[N@H+](C)C1)C1CC1 ZINC000382156186 398256058 /nfs/dbraw/zinc/25/60/58/398256058.db2.gz RILCYBSFLDJYGJ-YPMHNXCESA-N 2 0 226.364 1.343 20 0 BDADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000576701955 365662789 /nfs/dbraw/zinc/66/27/89/365662789.db2.gz QBMVRXWMDZHMNN-GHMZBOCLSA-N 2 0 249.358 1.214 20 0 BDADRP C[C@@H]1C[C@H]1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000381543970 398262572 /nfs/dbraw/zinc/26/25/72/398262572.db2.gz JIIGLTRAFJCVOM-AGIUHOORSA-N 2 0 208.349 1.718 20 0 BDADRP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000180095007 538957157 /nfs/dbraw/zinc/95/71/57/538957157.db2.gz VJEMVTGJPKFKFR-ZYHUDNBSSA-N 2 0 248.374 1.853 20 0 BDADRP CN(CC[N@H+](C)CC1CC1)C1CC[NH+](C)CC1 ZINC000162191225 349599861 /nfs/dbraw/zinc/59/98/61/349599861.db2.gz KKMSTFAWUNMUNT-UHFFFAOYSA-N 2 0 239.407 1.354 20 0 BDADRP CCC(CC)NC(=O)[C@@H](C)N1CCC([NH3+])CC1 ZINC000034939775 168381369 /nfs/dbraw/zinc/38/13/69/168381369.db2.gz ONXDYNHCLVCSBR-SNVBAGLBSA-N 2 0 241.379 1.103 20 0 BDADRP CCN(CC)CC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000037209803 538961941 /nfs/dbraw/zinc/96/19/41/538961941.db2.gz OUZKKFIYBOEPHA-CYBMUJFWSA-N 2 0 241.423 1.648 20 0 BDADRP CC[NH+]1CCC([NH2+]CC[C@H]2CCCO2)CC1 ZINC000038095344 538964649 /nfs/dbraw/zinc/96/46/49/538964649.db2.gz BVXGGGAPINYGIQ-CYBMUJFWSA-N 2 0 226.364 1.629 20 0 BDADRP C[C@H](CO)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000678044667 488179620 /nfs/dbraw/zinc/17/96/20/488179620.db2.gz RKGFBIOCJDOXAH-STQMWFEESA-N 2 0 226.364 1.033 20 0 BDADRP Cc1ccc([C@H]([NH3+])C(=O)NCCC[NH+](C)C)cc1 ZINC000083381523 398280653 /nfs/dbraw/zinc/28/06/53/398280653.db2.gz HMSQRKOJCVONRX-ZDUSSCGKSA-N 2 0 249.358 1.063 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@@H](O)CC1CCCC1 ZINC000232130300 342788753 /nfs/dbraw/zinc/78/87/53/342788753.db2.gz KWMOJXFPUMOPNI-OCCSQVGLSA-N 2 0 242.407 1.857 20 0 BDADRP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000631838658 398285297 /nfs/dbraw/zinc/28/52/97/398285297.db2.gz SKNUIMHOZGJYME-DGCLKSJQSA-N 2 0 234.343 1.722 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CN1CC[NH+](CC2CC2)CC1 ZINC000649489764 398286343 /nfs/dbraw/zinc/28/63/43/398286343.db2.gz GRAQWQNOHUIBSM-CQSZACIVSA-N 2 0 237.391 1.108 20 0 BDADRP C[C@@H]([NH2+]CCc1cn[nH]c1)C1CC[NH+](C)CC1 ZINC000379580834 538978450 /nfs/dbraw/zinc/97/84/50/538978450.db2.gz KMPZUEMWUVJVBA-LLVKDONJSA-N 2 0 236.363 1.272 20 0 BDADRP C(C[NH2+][C@H]1CCO[C@H]1C1CC1)C[NH+]1CCCC1 ZINC000232457515 342834966 /nfs/dbraw/zinc/83/49/66/342834966.db2.gz RKFXHUOZCBERMB-KBPBESRZSA-N 2 0 238.375 1.629 20 0 BDADRP COC[C@H]([NH2+]CCC[NH2+]C(C)C)C(C)C ZINC000583988542 342830008 /nfs/dbraw/zinc/83/00/08/342830008.db2.gz ZAPKSLVOLKMVPA-LBPRGKRZSA-N 2 0 216.369 1.635 20 0 BDADRP C[N@H+](CCC[NH3+])CCCc1ccncc1 ZINC000381982030 398293878 /nfs/dbraw/zinc/29/38/78/398293878.db2.gz INICBKMAWJPDGR-UHFFFAOYSA-N 2 0 207.321 1.295 20 0 BDADRP CC[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)OC ZINC000381579245 539004015 /nfs/dbraw/zinc/00/40/15/539004015.db2.gz ZPOVJWRYXSUHNA-WCQYABFASA-N 2 0 228.380 1.731 20 0 BDADRP C[NH+](C)[C@@H]1CCCN(C[C@H]2CCC[N@@H+]2C)C1 ZINC000649506085 398299669 /nfs/dbraw/zinc/29/96/69/398299669.db2.gz ATTILOFUSSKPID-CHWSQXEVSA-N 2 0 225.380 1.107 20 0 BDADRP CC[NH+]1CCC(N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000335637596 136243125 /nfs/dbraw/zinc/24/31/25/136243125.db2.gz PYUQSIGFJLBHCS-AAEUAGOBSA-N 2 0 225.380 1.058 20 0 BDADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CCC[NH2+]CC2)CC1 ZINC000333175245 398316666 /nfs/dbraw/zinc/31/66/66/398316666.db2.gz QTTYOVBIJVJLJG-MGPQQGTHSA-N 3 0 239.407 1.483 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386046904 342905231 /nfs/dbraw/zinc/90/52/31/342905231.db2.gz UOBKQQRAOVDZPV-MJBXVCDLSA-N 2 0 239.407 1.591 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C1 ZINC000584004476 342900381 /nfs/dbraw/zinc/90/03/81/342900381.db2.gz LYVPREKAMZYCSC-WRWGMCAJSA-N 2 0 220.316 1.995 20 0 BDADRP CC[C@]1(O)CC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000495260837 529441890 /nfs/dbraw/zinc/44/18/90/529441890.db2.gz HZFZFUUGRZVZRN-OLZOCXBDSA-N 2 0 226.364 1.318 20 0 BDADRP C([C@@H]1CCOC1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916061 398335223 /nfs/dbraw/zinc/33/52/23/398335223.db2.gz NZGKLXVHEHVFJR-IHRRRGAJSA-N 2 0 238.375 1.487 20 0 BDADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC1=[NH+]CCCN1 ZINC000448103555 398340063 /nfs/dbraw/zinc/34/00/63/398340063.db2.gz UMSCHQPHVUGRQR-LLVKDONJSA-N 2 0 238.379 1.046 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C2CCN(C3CC3)CC2)CO1 ZINC000335424776 398341353 /nfs/dbraw/zinc/34/13/53/398341353.db2.gz IMZBHIPUXYWQGA-PWSUYJOCSA-N 2 0 224.348 1.380 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)C(C)(C)C ZINC000234809868 342953770 /nfs/dbraw/zinc/95/37/70/342953770.db2.gz DTGAIEGINAYLSM-MNOVXSKESA-N 2 0 216.369 1.765 20 0 BDADRP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000234965986 342967874 /nfs/dbraw/zinc/96/78/74/342967874.db2.gz RUQAQXVEMZLEPB-WISYIIOYSA-N 2 0 212.337 1.413 20 0 BDADRP Cc1cccc(C[NH2+][C@H](C)CCC[NH3+])n1 ZINC000308802700 259340473 /nfs/dbraw/zinc/34/04/73/259340473.db2.gz FFASYELYNNHTQU-SNVBAGLBSA-N 2 0 207.321 1.607 20 0 BDADRP C[C@H]1CCC[C@@H]([NH2+]CCN2CC[NH2+]CC2)C1 ZINC000022793146 343054385 /nfs/dbraw/zinc/05/43/85/343054385.db2.gz SIFVZCGEGKAGEN-QWHCGFSZSA-N 2 0 225.380 1.060 20 0 BDADRP Cc1ncc(C[NH2+]CC2CC[NH+](C)CC2)o1 ZINC000398115594 343067873 /nfs/dbraw/zinc/06/78/73/343067873.db2.gz URANJAGRRKKRIB-UHFFFAOYSA-N 2 0 223.320 1.414 20 0 BDADRP COC[C@H](C)C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000562902482 323033223 /nfs/dbraw/zinc/03/32/23/323033223.db2.gz WOCNBMONAHYRIH-MCIONIFRSA-N 2 0 240.391 1.685 20 0 BDADRP CSC[C@@H](O)C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000576863785 365706966 /nfs/dbraw/zinc/70/69/66/365706966.db2.gz MJXTZSHDIRWLGR-RYUDHWBXSA-N 2 0 246.420 1.032 20 0 BDADRP O[C@H]1CCN(CC[NH2+]CC2CCCCCC2)C1 ZINC000623837572 343088912 /nfs/dbraw/zinc/08/89/12/343088912.db2.gz KQWRFLLELNJWDW-AWEZNQCLSA-N 2 0 240.391 1.613 20 0 BDADRP CC(C)C[C@H]([NH3+])c1noc(C2=CC[C@H]([NH3+])C2)n1 ZINC000634555390 362045665 /nfs/dbraw/zinc/04/56/65/362045665.db2.gz JLVYYRCGCCSTHP-UWVGGRQHSA-N 2 0 236.319 1.620 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400456119 529689875 /nfs/dbraw/zinc/68/98/75/529689875.db2.gz SLIDEUBUZWQPLX-SRVKXCTJSA-N 2 0 214.353 1.268 20 0 BDADRP CSC[C@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000127283731 343172640 /nfs/dbraw/zinc/17/26/40/343172640.db2.gz ASGIFFBKSUQOAI-GUBZILKMSA-N 2 0 202.367 1.597 20 0 BDADRP C[C@@H]1C[C@H]1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000336767290 136276054 /nfs/dbraw/zinc/27/60/54/136276054.db2.gz SWGQFYGEIMFQSQ-NEPJUHHUSA-N 2 0 210.365 1.964 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCO[C@H]2C)C1 ZINC000134388876 343194581 /nfs/dbraw/zinc/19/45/81/343194581.db2.gz PEVNENPVNFGETM-AVGNSLFASA-N 2 0 226.364 1.484 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCCC1(C)C ZINC000310120609 343288541 /nfs/dbraw/zinc/28/85/41/343288541.db2.gz ACCHZIFXURZMAB-CHWSQXEVSA-N 2 0 242.407 1.857 20 0 BDADRP Cc1nccn1CCC[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000348756352 136297239 /nfs/dbraw/zinc/29/72/39/136297239.db2.gz NUTQFUZYJFZTFQ-DGCLKSJQSA-N 2 0 236.363 1.251 20 0 BDADRP CC[C@H](COC)[NH2+]CC(C)(C)C[NH+](C)C ZINC000070623656 343335971 /nfs/dbraw/zinc/33/59/71/343335971.db2.gz PIQOBFRBDKAWIU-LLVKDONJSA-N 2 0 216.369 1.589 20 0 BDADRP c1ccc(N2CCC(N[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000335642347 136309046 /nfs/dbraw/zinc/30/90/46/136309046.db2.gz IBDSHBXGVCGXEN-AWEZNQCLSA-N 2 0 245.370 1.607 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC000166217512 136309784 /nfs/dbraw/zinc/30/97/84/136309784.db2.gz BVLRQCZWGMHSIS-CMPLNLGQSA-N 2 0 212.337 1.082 20 0 BDADRP Cc1ncsc1CC[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000166217251 136309925 /nfs/dbraw/zinc/30/99/25/136309925.db2.gz PXALRNXZOUZEDC-KOLCDFICSA-N 2 0 239.388 1.663 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc(F)c2)C1 ZINC000166226552 136314112 /nfs/dbraw/zinc/31/41/12/136314112.db2.gz UNJXXNKNLHQCIW-PWSUYJOCSA-N 2 0 222.307 1.995 20 0 BDADRP C[C@H]([NH3+])c1ccc(C(=O)NC2CC[NH2+]CC2)cc1 ZINC000039073015 343381616 /nfs/dbraw/zinc/38/16/16/343381616.db2.gz DLNVAQQEQFUYGM-JTQLQIEISA-N 2 0 247.342 1.188 20 0 BDADRP Cc1n[nH]cc1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000335688941 136324156 /nfs/dbraw/zinc/32/41/56/136324156.db2.gz QWFSPTDPNFQYJK-VIFPVBQESA-N 2 0 222.336 1.277 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@H+](CCn2cc(C)cn2)C1 ZINC000310243717 343400740 /nfs/dbraw/zinc/40/07/40/343400740.db2.gz USAZFXDJHBXAJD-CYBMUJFWSA-N 2 0 236.363 1.123 20 0 BDADRP Cc1ccc(CCC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000339410450 178530569 /nfs/dbraw/zinc/53/05/69/178530569.db2.gz TZYKRIJFPBRNPF-GJZGRUSLSA-N 2 0 245.370 1.474 20 0 BDADRP [NH3+]C[C@H]1CCC[N@H+](Cc2cccc3c2NCC3)C1 ZINC000335712714 136337746 /nfs/dbraw/zinc/33/77/46/136337746.db2.gz KFDPMLVFYHRRED-GFCCVEGCSA-N 2 0 245.370 1.825 20 0 BDADRP CN(C)c1ccccc1CN1CCC[C@@H]([NH3+])C1 ZINC000335857703 136356198 /nfs/dbraw/zinc/35/61/98/136356198.db2.gz WFWMUHFNVAFZNK-CYBMUJFWSA-N 2 0 233.359 1.676 20 0 BDADRP C([C@@H]1CCSC1)[N@@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000261542326 136374360 /nfs/dbraw/zinc/37/43/60/136374360.db2.gz GRDVDMIIHKJDGS-TUAOUCFPSA-N 2 0 226.389 1.566 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)CCCC[NH3+] ZINC000379946308 365757628 /nfs/dbraw/zinc/75/76/28/365757628.db2.gz DARVXSQXEXKBIK-IJLUTSLNSA-N 2 0 214.353 1.661 20 0 BDADRP CC[NH+]1CCC([NH2+]Cc2cc[nH]c2)CC1 ZINC000085579460 343600412 /nfs/dbraw/zinc/60/04/12/343600412.db2.gz JMZLECPYTWHTLM-UHFFFAOYSA-N 2 0 207.321 1.589 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCOC[C@@H]2CCCO2)C1 ZINC000576002864 343694491 /nfs/dbraw/zinc/69/44/91/343694491.db2.gz FOYNVVVQKXQVLW-UPJWGTAASA-N 2 0 242.363 1.042 20 0 BDADRP C[C@H](O)CC[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000380172649 343686398 /nfs/dbraw/zinc/68/63/98/343686398.db2.gz DUQNWNUTORGVJR-WYUUTHIRSA-N 2 0 214.353 1.076 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@H](C)CCCC[NH3+] ZINC000394061576 343711468 /nfs/dbraw/zinc/71/14/68/343711468.db2.gz ZHDPBSNKSNOPMB-NEPJUHHUSA-N 2 0 216.369 1.358 20 0 BDADRP Cc1cc(N)cc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000576121881 343718644 /nfs/dbraw/zinc/71/86/44/343718644.db2.gz PGMRAFLDPGPYFV-TZMCWYRMSA-N 2 0 233.359 1.937 20 0 BDADRP CC1(C)CCC[N@@H+]1CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000584182715 343770871 /nfs/dbraw/zinc/77/08/71/343770871.db2.gz IZLCBYCJDRHDRR-OLZOCXBDSA-N 2 0 239.407 1.720 20 0 BDADRP COC[C@H](C)[NH+]1CCC(CC[NH3+])CC1 ZINC000070534498 343952519 /nfs/dbraw/zinc/95/25/19/343952519.db2.gz RAOSAQDTALDGHM-JTQLQIEISA-N 2 0 200.326 1.082 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2ccc(N)nc2)C1 ZINC000634732204 344106800 /nfs/dbraw/zinc/10/68/00/344106800.db2.gz APJKETSHFGQESG-LBPRGKRZSA-N 2 0 248.374 1.362 20 0 BDADRP COC[C@H](C)C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733424 344113188 /nfs/dbraw/zinc/11/31/88/344113188.db2.gz FNTXKMVZKZNGEX-NEPJUHHUSA-N 2 0 228.380 1.637 20 0 BDADRP CC[C@H](COC)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733342 344113304 /nfs/dbraw/zinc/11/33/04/344113304.db2.gz CXCUKIKIAALYOH-VXGBXAGGSA-N 2 0 228.380 1.779 20 0 BDADRP CCN1CCC([NH2+][C@H](C)CCCC[NH3+])CC1 ZINC000309343788 347037836 /nfs/dbraw/zinc/03/78/36/347037836.db2.gz LFHVMFYBHNJUSH-GFCCVEGCSA-N 2 0 227.396 1.578 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCOc2ccccc2)C1 ZINC000093215572 344312622 /nfs/dbraw/zinc/31/26/22/344312622.db2.gz NGUVXYXLLWIWLO-QWHCGFSZSA-N 2 0 234.343 1.925 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634779756 344316731 /nfs/dbraw/zinc/31/67/31/344316731.db2.gz FGBBEPSOWVFPOI-BETUJISGSA-N 2 0 226.364 1.297 20 0 BDADRP CC(C)CCOCCN1C[C@@H]([NH3+])C[C@@H]1C ZINC000385083481 344320573 /nfs/dbraw/zinc/32/05/73/344320573.db2.gz KFPJEOKPPCCYAL-RYUDHWBXSA-N 2 0 214.353 1.471 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@H](O)C(C)C)CC1 ZINC000133757969 344321498 /nfs/dbraw/zinc/32/14/98/344321498.db2.gz VDNPHOGHCUWZGJ-LBPRGKRZSA-N 2 0 214.353 1.077 20 0 BDADRP CC[N@@H+](Cc1ccccn1)CC1CC[NH2+]CC1 ZINC000094011518 344324827 /nfs/dbraw/zinc/32/48/27/344324827.db2.gz JCEZCLYCLVPOBD-UHFFFAOYSA-N 2 0 233.359 1.903 20 0 BDADRP C[C@H]1C[C@H]([NH3+])CN1Cc1cccc(F)c1 ZINC000385124240 344333647 /nfs/dbraw/zinc/33/36/47/344333647.db2.gz WSCISWXKZIAQGM-CABZTGNLSA-N 2 0 208.280 1.747 20 0 BDADRP CCC(CC)(C[NH3+])NC(=O)CC[NH2+]C(C)C ZINC000131865538 344355339 /nfs/dbraw/zinc/35/53/39/344355339.db2.gz ZYNXTDUCIVJBMI-UHFFFAOYSA-N 2 0 229.368 1.008 20 0 BDADRP COC(=O)CCCC[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000600703778 344359700 /nfs/dbraw/zinc/35/97/00/344359700.db2.gz LTVRZEAVHFPKGA-NSHDSACASA-N 2 0 242.363 1.389 20 0 BDADRP COC(=O)CCCC[NH+]1CCC(C[NH3+])CC1 ZINC000600706405 344360179 /nfs/dbraw/zinc/36/01/79/344360179.db2.gz VWJKLZRQDWLUAD-UHFFFAOYSA-N 2 0 228.336 1.000 20 0 BDADRP C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)C1CC[NH+](C)CC1 ZINC000385292521 344388792 /nfs/dbraw/zinc/38/87/92/344388792.db2.gz ZXAUDAMKNHFWES-UHXUPSOCSA-N 2 0 240.391 1.872 20 0 BDADRP [NH3+][C@H]1CC[C@H](Nc2cc(NC3CC3)ncn2)CC1 ZINC000634813314 344398191 /nfs/dbraw/zinc/39/81/91/344398191.db2.gz GRBCBGFQYTZCCK-MGCOHNPYSA-N 2 0 247.346 1.733 20 0 BDADRP Cc1cc(N[C@H]2CCC[NH2+]CC2)nc(C2CC2)n1 ZINC000634813725 344399217 /nfs/dbraw/zinc/39/92/17/344399217.db2.gz VUGUMBPLABGEIP-LBPRGKRZSA-N 2 0 246.358 1.638 20 0 BDADRP C[C@@H]1C[C@H](Nc2cc(CO)ccn2)CC[N@@H+]1C ZINC000641396034 362394873 /nfs/dbraw/zinc/39/48/73/362394873.db2.gz ICPIIZGQQSQNEF-ZYHUDNBSSA-N 2 0 235.331 1.469 20 0 BDADRP C[N@H+](CCN1CC[NH2+]CC1)Cc1cccs1 ZINC000037482582 344508991 /nfs/dbraw/zinc/50/89/91/344508991.db2.gz NNHQMQBYCVOWDT-UHFFFAOYSA-N 2 0 239.388 1.085 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000388723294 347057504 /nfs/dbraw/zinc/05/75/04/347057504.db2.gz AVMXVTPAIPPHJI-UPJWGTAASA-N 2 0 228.380 1.909 20 0 BDADRP C[NH2+]Cc1ccc(NC[C@]2(C)CC[NH2+]C2)cc1 ZINC000414977491 530007322 /nfs/dbraw/zinc/00/73/22/530007322.db2.gz PZYZPCMYEVVHKM-CQSZACIVSA-N 2 0 233.359 1.818 20 0 BDADRP C[C@H]([NH2+]C[C@]1(C)CCCO1)C1CC[NH+](C)CC1 ZINC000094797676 537851277 /nfs/dbraw/zinc/85/12/77/537851277.db2.gz HFKNWIFKBOASQX-JSGCOSHPSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]([NH2+][C@@H](CO)CC1CC1)C1CC[NH+](C)CC1 ZINC000678608579 488271810 /nfs/dbraw/zinc/27/18/10/488271810.db2.gz YFARDTKRYUPZFH-BXUZGUMPSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@H](O)[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000562988590 323078330 /nfs/dbraw/zinc/07/83/30/323078330.db2.gz QCEHVTAPQZXZON-RDBSUJKOSA-N 2 0 242.407 1.857 20 0 BDADRP C[NH+](C)CCCC[NH2+]Cc1nccs1 ZINC000082394775 344904503 /nfs/dbraw/zinc/90/45/03/344904503.db2.gz KFEHLYIABGNDEL-UHFFFAOYSA-N 2 0 213.350 1.575 20 0 BDADRP COc1ccc(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)cn1 ZINC000311026418 344906997 /nfs/dbraw/zinc/90/69/97/344906997.db2.gz CFMSUKBNOSORMN-CHWSQXEVSA-N 2 0 247.342 1.274 20 0 BDADRP Cn1ccc(CN2CCCC[C@@H]2CC[NH3+])n1 ZINC000123987253 345025012 /nfs/dbraw/zinc/02/50/12/345025012.db2.gz OXTKAZIULNZPPR-GFCCVEGCSA-N 2 0 222.336 1.123 20 0 BDADRP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[NH+]1CCCCC1 ZINC000667585423 537884326 /nfs/dbraw/zinc/88/43/26/537884326.db2.gz AOLZXLBYBSULFL-OLZOCXBDSA-N 2 0 224.348 1.241 20 0 BDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)C(C)(C)C ZINC000155078815 345064120 /nfs/dbraw/zinc/06/41/20/345064120.db2.gz QWSDQSHLJRLMAY-OLZOCXBDSA-N 2 0 241.423 1.647 20 0 BDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)C(C)(C)C ZINC000155078703 345064127 /nfs/dbraw/zinc/06/41/27/345064127.db2.gz QWSDQSHLJRLMAY-STQMWFEESA-N 2 0 241.423 1.647 20 0 BDADRP CC[N@H+](CCN[C@H]1CC[NH+](C)C[C@@H]1C)C1CC1 ZINC000155850698 345110521 /nfs/dbraw/zinc/11/05/21/345110521.db2.gz LGBUDZLQQIVVFD-JSGCOSHPSA-N 2 0 239.407 1.401 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccon2)C1 ZINC000634984876 345169167 /nfs/dbraw/zinc/16/91/67/345169167.db2.gz FFKHFIBEVWEOAC-JGZJWPJOSA-N 2 0 209.293 1.104 20 0 BDADRP CC(C)[C@H](C[NH3+])CN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000634990787 345173143 /nfs/dbraw/zinc/17/31/43/345173143.db2.gz CMBDKVFGYJQGAF-JHJVBQTASA-N 2 0 227.396 1.277 20 0 BDADRP CC(C)[C@@H](C[NH3+])C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000634991053 345173956 /nfs/dbraw/zinc/17/39/56/345173956.db2.gz OAUXRWDJHLJLIW-YPMHNXCESA-N 3 0 227.396 1.277 20 0 BDADRP C[C@@H]1C[C@@H](N(C)CC23CC(C2)C[NH2+]3)CC[N@@H+]1C ZINC000634993558 345190418 /nfs/dbraw/zinc/19/04/18/345190418.db2.gz XZWFECVFEIZUIR-ZIHBUVQPSA-N 2 0 237.391 1.153 20 0 BDADRP CC[NH+]1CCC(N(C)CC23CC(C2)C[NH2+]3)CC1 ZINC000634991980 345179284 /nfs/dbraw/zinc/17/92/84/345179284.db2.gz YKLWZRZYXPYNFQ-UHFFFAOYSA-N 2 0 237.391 1.155 20 0 BDADRP CC(C)[C@H](C[NH3+])CN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000634996662 345191397 /nfs/dbraw/zinc/19/13/97/345191397.db2.gz QHRQMASDEAWYNQ-JHJVBQTASA-N 2 0 227.396 1.134 20 0 BDADRP CC(C)[C@@H](C[NH3+])C[NH2+][C@H](C)CCCC[NH3+] ZINC000634995990 345186218 /nfs/dbraw/zinc/18/62/18/345186218.db2.gz VXQOYSDPPYEPES-NEPJUHHUSA-N 3 0 215.385 1.324 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+]C[C@@H](C[NH3+])C(C)C ZINC000634996254 345187766 /nfs/dbraw/zinc/18/77/66/345187766.db2.gz DUNXGQMJKAGWNN-OAHLLOKOSA-N 2 0 249.402 1.727 20 0 BDADRP c1cc2c(s1)CN(CC13CC(C1)C[NH2+]3)CC2 ZINC000634992960 345188105 /nfs/dbraw/zinc/18/81/05/345188105.db2.gz HPAIMIZJSCNVNV-UHFFFAOYSA-N 2 0 234.368 1.858 20 0 BDADRP [NH3+][C@H]1Cc2ccccc2N(CC23CC(C2)C[NH2+]3)C1 ZINC000634996564 345188291 /nfs/dbraw/zinc/18/82/91/345188291.db2.gz NUQLHIQYJQDCSM-QRJNDHJOSA-N 2 0 243.354 1.128 20 0 BDADRP CC(C)[C@H](C[NH3+])CN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000634996665 345191138 /nfs/dbraw/zinc/19/11/38/345191138.db2.gz QHRQMASDEAWYNQ-YNEHKIRRSA-N 2 0 227.396 1.134 20 0 BDADRP CC(C)[C@@H](C[NH3+])C[NH2+]Cc1cccc(N)c1 ZINC000634996709 345191143 /nfs/dbraw/zinc/19/11/43/345191143.db2.gz RHBDZZGGAXRFTE-LBPRGKRZSA-N 2 0 221.348 1.589 20 0 BDADRP CO[C@@H]1CN(CC23CC(C2)C[NH2+]3)CC[C@@H]1C ZINC000634993826 345191761 /nfs/dbraw/zinc/19/17/61/345191761.db2.gz HLRPRWYXPGDLMQ-GMKTYKIGSA-N 2 0 224.348 1.095 20 0 BDADRP CC(C)[C@H]1CN(CC23CC(C2)C[NH2+]3)CC[N@@H+]1C ZINC000634993662 345192122 /nfs/dbraw/zinc/19/21/22/345192122.db2.gz BDTSASGFHYEJKO-ROKHWSDSSA-N 2 0 237.391 1.010 20 0 BDADRP CN(CCC[NH+]1CCCC1)CC12CC(C1)C[NH2+]2 ZINC000634993984 345192828 /nfs/dbraw/zinc/19/28/28/345192828.db2.gz MSIVMOYHYVKEGK-UHFFFAOYSA-N 2 0 237.391 1.156 20 0 BDADRP CC(C)[C@H](C[NH3+])CN[C@H]1CC[NH2+]C12CCC2 ZINC000634997646 345193212 /nfs/dbraw/zinc/19/32/12/345193212.db2.gz PUELYPFJCRBMSD-NEPJUHHUSA-N 2 0 225.380 1.092 20 0 BDADRP [NH3+][C@H]1CCCCCN(CC2=CCCOC2)C1 ZINC000634997184 345194496 /nfs/dbraw/zinc/19/44/96/345194496.db2.gz FQCAPUVVJSXIES-ZDUSSCGKSA-N 2 0 224.348 1.536 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cccs2)C[C@H]1C[NH3+] ZINC000634998699 345198029 /nfs/dbraw/zinc/19/80/29/345198029.db2.gz JLRFVPFQGOQZHN-NXEZZACHSA-N 2 0 210.346 1.775 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000635003197 345205368 /nfs/dbraw/zinc/20/53/68/345205368.db2.gz GXPXBIWETGRZRY-XQQFMLRXSA-N 2 0 228.380 1.645 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000635003195 345205719 /nfs/dbraw/zinc/20/57/19/345205719.db2.gz GXPXBIWETGRZRY-JHJVBQTASA-N 2 0 228.380 1.645 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC[C@H]2[NH3+])[C@H](C)O1 ZINC000635003429 345206407 /nfs/dbraw/zinc/20/64/07/345206407.db2.gz DBQZFBJSMYEFNR-MLGHIDQZSA-N 2 0 226.364 1.802 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCCC12CC2 ZINC000635004901 345208421 /nfs/dbraw/zinc/20/84/21/345208421.db2.gz RDNBXRZWXCQHGL-ZDEQEGDKSA-N 2 0 238.375 1.661 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]CC[C@H]2C)[C@H](C)O1 ZINC000635005434 345209060 /nfs/dbraw/zinc/20/90/60/345209060.db2.gz NNDNKKMNURGBQU-LBELIVKGSA-N 2 0 226.364 1.530 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CCCOC1 ZINC000635005378 345209193 /nfs/dbraw/zinc/20/91/93/345209193.db2.gz MRHVPRYWTLEVHJ-FQUUOJAGSA-N 2 0 240.391 1.909 20 0 BDADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000635006567 345210490 /nfs/dbraw/zinc/21/04/90/345210490.db2.gz SFOYYGKWOBLZQC-LPWJVIDDSA-N 3 0 225.380 1.363 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)[C@H]1CCCO1 ZINC000635006850 345211570 /nfs/dbraw/zinc/21/15/70/345211570.db2.gz TYBPFAUJULIPDM-FDYHWXHSSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)[C@@H]1CCOC1 ZINC000635010226 345212724 /nfs/dbraw/zinc/21/27/24/345212724.db2.gz JEVFZKJITWTNSF-YNEHKIRRSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CCO1 ZINC000635012156 345214106 /nfs/dbraw/zinc/21/41/06/345214106.db2.gz REYHKMDFHOAOFN-JHJVBQTASA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635012606 345214178 /nfs/dbraw/zinc/21/41/78/345214178.db2.gz UMZVBXAUEHFWPJ-CHWSQXEVSA-N 2 0 242.407 1.905 20 0 BDADRP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)[C@H]1CCOC1 ZINC000158627632 345357575 /nfs/dbraw/zinc/35/75/75/345357575.db2.gz AZGQLMGDBVJVFD-NEPJUHHUSA-N 2 0 226.364 1.663 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000132431668 345330589 /nfs/dbraw/zinc/33/05/89/345330589.db2.gz LRZNWKGUBJRPEU-FRRDWIJNSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@@H](C(=O)Nc1ccc(C[NH+](C)C)cc1)[C@H](C)[NH3+] ZINC000134103955 345398788 /nfs/dbraw/zinc/39/87/88/345398788.db2.gz YATOEEPIQUNSSZ-MNOVXSKESA-N 2 0 249.358 1.670 20 0 BDADRP C[C@@H](C[NH2+]CC1(C)CCC1)N1CC[NH+](C)CC1 ZINC000434763137 537899134 /nfs/dbraw/zinc/89/91/34/537899134.db2.gz DCWTVNKBANWJKQ-ZDUSSCGKSA-N 2 0 239.407 1.402 20 0 BDADRP Cc1ncsc1CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000082776945 345747714 /nfs/dbraw/zinc/74/77/14/345747714.db2.gz ZUUGBSWRCNUKOP-GHMZBOCLSA-N 2 0 237.372 1.145 20 0 BDADRP Cc1ccccc1C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000144520020 345708473 /nfs/dbraw/zinc/70/84/73/345708473.db2.gz ATYGISCCJIDVNO-UHFFFAOYSA-N 2 0 248.370 1.541 20 0 BDADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccccc1 ZINC000144515861 345709034 /nfs/dbraw/zinc/70/90/34/345709034.db2.gz UUMLERGAZUBKSI-CYBMUJFWSA-N 2 0 248.370 1.794 20 0 BDADRP CSC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000300394690 345813902 /nfs/dbraw/zinc/81/39/02/345813902.db2.gz VUIWIJJROVPWOP-IJLUTSLNSA-N 2 0 246.420 1.173 20 0 BDADRP CC[C@H](O)CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000159988541 345772435 /nfs/dbraw/zinc/77/24/35/345772435.db2.gz DBIFVIOGBOMAEP-UPJWGTAASA-N 2 0 226.364 1.364 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000400761739 345782676 /nfs/dbraw/zinc/78/26/76/345782676.db2.gz YIBBXKNTLTTXIN-TZMCWYRMSA-N 3 0 239.407 1.448 20 0 BDADRP C[NH+](C)CCOCC[NH2+][C@H]1CCCC12CCC2 ZINC000394733242 323096388 /nfs/dbraw/zinc/09/63/88/323096388.db2.gz LXNQWYXSOPCKOS-ZDUSSCGKSA-N 2 0 240.391 1.877 20 0 BDADRP Cc1cc(NC(=O)[C@@H](C)[NH+](C)C)cn2ccnc12 ZINC000635962593 346134572 /nfs/dbraw/zinc/13/45/72/346134572.db2.gz KHQUEQXUMXLZPS-SNVBAGLBSA-N 2 0 246.314 1.531 20 0 BDADRP Cc1c[nH]c(CN2C[C@@H](C)[N@@H+](C)C[C@H]2C)n1 ZINC000628240396 346202536 /nfs/dbraw/zinc/20/25/36/346202536.db2.gz CTIDPDCWUWKPPZ-GHMZBOCLSA-N 2 0 222.336 1.243 20 0 BDADRP C[N@H+]1C[C@H]2CN(Cc3cnc(C4CC4)o3)C[C@H]2C1 ZINC000628253291 346229623 /nfs/dbraw/zinc/22/96/23/346229623.db2.gz AKLXNIOBQWUTEZ-TXEJJXNPSA-N 2 0 247.342 1.545 20 0 BDADRP CCN1CCC([NH2+][C@H](CO)CCC(C)C)CC1 ZINC000624108989 346237948 /nfs/dbraw/zinc/23/79/48/346237948.db2.gz KAHVPZUVHOXKBE-AWEZNQCLSA-N 2 0 242.407 1.857 20 0 BDADRP COC(=O)CCCC[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000603427317 349949976 /nfs/dbraw/zinc/94/99/76/349949976.db2.gz COJSOLXVRHBKQX-NXEZZACHSA-N 2 0 228.336 1.045 20 0 BDADRP Cc1cccc(C)c1C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000336756884 179033668 /nfs/dbraw/zinc/03/36/68/179033668.db2.gz YRKMSBZHZWNWKA-LBPRGKRZSA-N 2 0 222.332 1.055 20 0 BDADRP C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)C1CCCC1 ZINC000300716805 346374547 /nfs/dbraw/zinc/37/45/47/346374547.db2.gz GIVTVEFUPVMFFI-CHWSQXEVSA-N 2 0 208.349 1.718 20 0 BDADRP C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)C1CCCC1 ZINC000300716806 346374798 /nfs/dbraw/zinc/37/47/98/346374798.db2.gz GIVTVEFUPVMFFI-STQMWFEESA-N 2 0 208.349 1.718 20 0 BDADRP CCN1CCC[C@H]([NH2+]C[C@H]2CCSC2)C1 ZINC000300235060 346422011 /nfs/dbraw/zinc/42/20/11/346422011.db2.gz YEHUDUVTSIONAI-NEPJUHHUSA-N 2 0 228.405 1.813 20 0 BDADRP Cc1cncc(C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)c1 ZINC000641800962 362753306 /nfs/dbraw/zinc/75/33/06/362753306.db2.gz JUFURIHPPMWOBM-RYUDHWBXSA-N 2 0 219.332 1.605 20 0 BDADRP C[NH2+]CCC[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000069909113 349968050 /nfs/dbraw/zinc/96/80/50/349968050.db2.gz RNOIVQBLAYNOKN-NXEZZACHSA-N 2 0 202.367 1.422 20 0 BDADRP CC[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000104949886 346548356 /nfs/dbraw/zinc/54/83/56/346548356.db2.gz AQNHIZZXFFESMF-OKILXGFUSA-N 2 0 239.407 1.497 20 0 BDADRP CC(C)C[C@@H]([NH3+])c1noc(CC[NH2+]C2CC2)n1 ZINC000577122791 365827146 /nfs/dbraw/zinc/82/71/46/365827146.db2.gz XOCKXWSROMMKTJ-SNVBAGLBSA-N 2 0 238.335 1.410 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)C(C)C ZINC000381657760 346591879 /nfs/dbraw/zinc/59/18/79/346591879.db2.gz DBWYAQWWGZJMIG-SDDRHHMPSA-N 2 0 214.353 1.517 20 0 BDADRP Cc1cccc(NC[C@@H](C)C[NH+](C)C)[nH+]1 ZINC000291656919 179147133 /nfs/dbraw/zinc/14/71/33/179147133.db2.gz CLUVSAWNOGGZKQ-SNVBAGLBSA-N 2 0 207.321 2.000 20 0 BDADRP CCCN(CC)CC[NH2+]C[C@@H](C)COC ZINC000188080563 346741170 /nfs/dbraw/zinc/74/11/70/346741170.db2.gz SXFGCVQRCYNRTD-GFCCVEGCSA-N 2 0 216.369 1.590 20 0 BDADRP [NH3+][C@]12CCC[C@@H]1C[N@H+](C[C@H]1CCSC1)C2 ZINC000622004898 370655010 /nfs/dbraw/zinc/65/50/10/370655010.db2.gz WEEJOJWXRHUDEU-UTUOFQBUSA-N 2 0 226.389 1.553 20 0 BDADRP CC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000571158364 323136927 /nfs/dbraw/zinc/13/69/27/323136927.db2.gz GDTCHPVFXRTYLB-UTUOFQBUSA-N 2 0 214.353 1.220 20 0 BDADRP CC[N@@H+]1CCC[C@@H](CNCc2cocn2)C1 ZINC000309678137 347132604 /nfs/dbraw/zinc/13/26/04/347132604.db2.gz YMLPWGMCRIRXAR-NSHDSACASA-N 2 0 223.320 1.496 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@H](CO)C2CC2)CC1 ZINC000309669567 347132771 /nfs/dbraw/zinc/13/27/71/347132771.db2.gz VNKBQZJQFZOMKB-GFCCVEGCSA-N 2 0 226.364 1.079 20 0 BDADRP C[N@H+](C[C@H]1CCCCO1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250491466 362806217 /nfs/dbraw/zinc/80/62/17/362806217.db2.gz YDOBYDVGFJQPKW-QNMSZWNNSA-N 2 0 238.375 1.770 20 0 BDADRP [NH3+][C@@H]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000250655244 362815954 /nfs/dbraw/zinc/81/59/54/362815954.db2.gz UYCYGECWSULEDD-CABCVRRESA-N 2 0 245.370 1.294 20 0 BDADRP C[NH2+][C@@H]1CCCN(C[C@H]2CCCCO2)C1 ZINC000250718602 362817978 /nfs/dbraw/zinc/81/79/78/362817978.db2.gz HPXFCTGSYPSEAU-VXGBXAGGSA-N 2 0 212.337 1.239 20 0 BDADRP CCC[C@H](C)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000194537251 347423523 /nfs/dbraw/zinc/42/35/23/347423523.db2.gz WYJFWWXPDCLPQG-RWMBFGLXSA-N 2 0 210.365 1.916 20 0 BDADRP CC[NH+](CC)CCC[N@H+](C)CCCO ZINC000196210169 347489141 /nfs/dbraw/zinc/48/91/41/347489141.db2.gz AYIRIQOAKWCWJF-UHFFFAOYSA-N 2 0 202.342 1.033 20 0 BDADRP C[C@@H]1CC[C@@H](C[N@H+](C)CC(C)(C)C[NH3+])O1 ZINC000149781000 347518254 /nfs/dbraw/zinc/51/82/54/347518254.db2.gz RDGPMMVRCIHPAD-MNOVXSKESA-N 2 0 214.353 1.471 20 0 BDADRP C[N@H+](CCN1CC[NH2+]CC1)CC1CCCC1 ZINC000082419928 347584696 /nfs/dbraw/zinc/58/46/96/347584696.db2.gz PYMIIRYTXYBBDT-UHFFFAOYSA-N 2 0 225.380 1.014 20 0 BDADRP CSCC[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000591567833 347670911 /nfs/dbraw/zinc/67/09/11/347670911.db2.gz VCKVVGFDQBTGLV-YPMHNXCESA-N 2 0 238.400 1.898 20 0 BDADRP CO[C@H](C)CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000308540007 347822754 /nfs/dbraw/zinc/82/27/54/347822754.db2.gz IHYVBPSDJFAPAW-OUAUKWLOSA-N 2 0 200.326 1.271 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)CSCCF)C[NH+](C)C ZINC000595037766 348176408 /nfs/dbraw/zinc/17/64/08/348176408.db2.gz IAGLLJGKQGYGDH-MNOVXSKESA-N 2 0 236.400 1.865 20 0 BDADRP Cc1ncsc1CN(C)C[C@@H]1CCC[NH2+]C1 ZINC000082633129 348199129 /nfs/dbraw/zinc/19/91/29/348199129.db2.gz HLELQJCMZXYVOB-LLVKDONJSA-N 2 0 239.388 1.883 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)O1 ZINC000397477221 362888184 /nfs/dbraw/zinc/88/81/84/362888184.db2.gz IEYINBGWWCEONU-XHJNMGKDSA-N 2 0 240.391 1.859 20 0 BDADRP C[C@H]1CC[C@H](C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)O1 ZINC000251622219 362892310 /nfs/dbraw/zinc/89/23/10/362892310.db2.gz DLLWRGKRARTPHQ-BEUHCMRWSA-N 2 0 238.375 1.769 20 0 BDADRP C[C@@H]([NH2+]C[C@@H](C)C[C@H](C)O)[C@@H]1CCCC[NH2+]1 ZINC000398564309 323186670 /nfs/dbraw/zinc/18/66/70/323186670.db2.gz NGNURYYVFSOICH-RVMXOQNASA-N 2 0 228.380 1.514 20 0 BDADRP COCCCCC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000395097688 323187028 /nfs/dbraw/zinc/18/70/28/323187028.db2.gz DEVKSNYPDQHABM-CHWSQXEVSA-N 2 0 228.380 1.923 20 0 BDADRP C[C@H]([NH2+]CCCCF)[C@@H]1CCCC[NH2+]1 ZINC000395106700 323187055 /nfs/dbraw/zinc/18/70/55/323187055.db2.gz XHSMTFZYRNEKGG-QWRGUYRKSA-N 2 0 202.317 1.856 20 0 BDADRP CC[NH+](CC)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000669382518 538004652 /nfs/dbraw/zinc/00/46/52/538004652.db2.gz MDNSJJROFQFWNT-NEPJUHHUSA-N 2 0 212.337 1.097 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623504346 362928290 /nfs/dbraw/zinc/92/82/90/362928290.db2.gz KLBUXXFZUJCILP-QJPTWQEYSA-N 2 0 228.380 1.872 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCO[C@H](C)C2)CC1 ZINC000070360466 349996061 /nfs/dbraw/zinc/99/60/61/349996061.db2.gz IZGAVFVLJZYVEZ-TZMCWYRMSA-N 2 0 240.391 1.875 20 0 BDADRP CSCC1(CC[NH2+][C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000596649191 348605358 /nfs/dbraw/zinc/60/53/58/348605358.db2.gz CHNZLHCMOLMUQJ-GHMZBOCLSA-N 2 0 228.405 1.989 20 0 BDADRP CCSC1(C[NH2+][C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000596650438 348606124 /nfs/dbraw/zinc/60/61/24/348606124.db2.gz ISAFRGDSWCCUFN-NXEZZACHSA-N 2 0 214.378 1.742 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCOC2)C1 ZINC000070013446 490195993 /nfs/dbraw/zinc/19/59/93/490195993.db2.gz UMBLDQGRHRINAJ-VXGBXAGGSA-N 2 0 212.337 1.097 20 0 BDADRP CCC[N@H+](CC)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000669383812 538013182 /nfs/dbraw/zinc/01/31/82/538013182.db2.gz YKPMPYOSZQSSML-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP CC[NH2+][C@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000049709333 348831208 /nfs/dbraw/zinc/83/12/08/348831208.db2.gz OGCXBMZPWNQLFE-STQMWFEESA-N 2 0 228.380 1.733 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1CCCOC1 ZINC000070013915 490197424 /nfs/dbraw/zinc/19/74/24/490197424.db2.gz BLHXSDUUCNGIBC-QWRGUYRKSA-N 2 0 200.326 1.095 20 0 BDADRP CSCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000598952581 349071743 /nfs/dbraw/zinc/07/17/43/349071743.db2.gz NKWGORCVBFUDGR-JTQLQIEISA-N 2 0 216.394 1.812 20 0 BDADRP C[NH2+][C@H](C)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000414997006 538025416 /nfs/dbraw/zinc/02/54/16/538025416.db2.gz YBFDRJGHHBWMRQ-DDHJBXDOSA-N 2 0 224.348 1.142 20 0 BDADRP CCC[C@@H](C)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000053486206 349065896 /nfs/dbraw/zinc/06/58/96/349065896.db2.gz ZJWIYTCTFRCBPP-CHWSQXEVSA-N 2 0 227.396 1.401 20 0 BDADRP CC[C@@H](COC)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000070658051 490232345 /nfs/dbraw/zinc/23/23/45/490232345.db2.gz VIAWHEIWCZACRD-YPMHNXCESA-N 2 0 228.380 1.731 20 0 BDADRP CC(C)CO[C@H]1C[C@@H]([NH2+]CCC[NH3+])C1(C)C ZINC000082923086 349214155 /nfs/dbraw/zinc/21/41/55/349214155.db2.gz PFOQUZRKFXBZOO-NEPJUHHUSA-N 2 0 228.380 1.765 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@H]1CCCOC1 ZINC000252109823 349196107 /nfs/dbraw/zinc/19/61/07/349196107.db2.gz JKKMCGOAWBBARK-IJLUTSLNSA-N 2 0 212.337 1.225 20 0 BDADRP CN1CCC[C@@H]1C[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000252578087 349200597 /nfs/dbraw/zinc/20/05/97/349200597.db2.gz KKNUVNWJHGQVAP-ZIAGYGMSSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)C(=O)NC(C)(C)C ZINC000252798650 349207456 /nfs/dbraw/zinc/20/74/56/349207456.db2.gz OYTLREYAXMDMPY-DCAQKATOSA-N 2 0 241.379 1.149 20 0 BDADRP CC[C@H](CCO)[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386536973 349250365 /nfs/dbraw/zinc/25/03/65/349250365.db2.gz CCKSKDULOSXXIC-UTUOFQBUSA-N 2 0 214.353 1.268 20 0 BDADRP COC[C@@H](C)C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000300914677 349429573 /nfs/dbraw/zinc/42/95/73/349429573.db2.gz XVKYVXGTAYIPII-WDEREUQCSA-N 2 0 214.353 1.247 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)CO1 ZINC000402208862 350043859 /nfs/dbraw/zinc/04/38/59/350043859.db2.gz IXEAMSKMEXGYGD-IEECTRCBSA-N 2 0 226.364 1.482 20 0 BDADRP CN1CCC[C@@H]1C(=O)Nc1ccc2nccn2c1 ZINC000603884230 350047571 /nfs/dbraw/zinc/04/75/71/350047571.db2.gz CCRKYHBHGORQQN-LLVKDONJSA-N 2 0 244.298 1.367 20 0 BDADRP COC[C@H]([NH2+][C@H]1C[C@H](C)N(C2CC2)C1)C(C)C ZINC000132018435 191022931 /nfs/dbraw/zinc/02/29/31/191022931.db2.gz RNRDQQOJGQGWJS-OBJOEFQTSA-N 2 0 240.391 1.872 20 0 BDADRP CSCCC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000132499803 191033376 /nfs/dbraw/zinc/03/33/76/191033376.db2.gz BRSSLEOLPLRENC-QWRGUYRKSA-N 2 0 216.394 1.669 20 0 BDADRP COC(=O)C(C)(C)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000304343427 350155214 /nfs/dbraw/zinc/15/52/14/350155214.db2.gz BQQFGRGAZNSMBA-NXEZZACHSA-N 2 0 228.336 1.045 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2(CCO)CC2)CC[N@@H+]1C ZINC000133121196 191037690 /nfs/dbraw/zinc/03/76/90/191037690.db2.gz HWLMYZLTJWUJPR-VXGBXAGGSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC2(CCO)CC2)CC[N@@H+]1C ZINC000133121417 191037752 /nfs/dbraw/zinc/03/77/52/191037752.db2.gz HWLMYZLTJWUJPR-NWDGAFQWSA-N 2 0 226.364 1.221 20 0 BDADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C[C@@H](C)CC ZINC000133582358 191041661 /nfs/dbraw/zinc/04/16/61/191041661.db2.gz KOZJCTDEXBAADN-STQMWFEESA-N 2 0 230.396 1.979 20 0 BDADRP C[C@@H]1CCC[C@H](C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000251922481 538064069 /nfs/dbraw/zinc/06/40/69/538064069.db2.gz USOUBFKDIALJKA-XJFOESAGSA-N 2 0 222.376 1.964 20 0 BDADRP COCC(C)(C)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427128211 191053668 /nfs/dbraw/zinc/05/36/68/191053668.db2.gz KACBPKBLXWCOPV-NEPJUHHUSA-N 2 0 226.364 1.343 20 0 BDADRP CC(C)n1ncnc1CNCC1=CC[N@H+](C)CC1 ZINC000392916755 350182268 /nfs/dbraw/zinc/18/22/68/350182268.db2.gz BRBFHPCCCZVCQF-UHFFFAOYSA-N 2 0 249.362 1.211 20 0 BDADRP CC[C@H]([NH2+]CCN1CC[C@H](C)C1)[C@@H]1CCOC1 ZINC000532530482 323273370 /nfs/dbraw/zinc/27/33/70/323273370.db2.gz OBFXGOAAUQFETQ-MJBXVCDLSA-N 2 0 240.391 1.733 20 0 BDADRP Cc1ncc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)s1 ZINC000228076521 180146325 /nfs/dbraw/zinc/14/63/25/180146325.db2.gz CSDMFMUZWMTKSO-PSASIEDQSA-N 2 0 225.361 1.621 20 0 BDADRP Cc1nccnc1CC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000295055195 180274476 /nfs/dbraw/zinc/27/44/76/180274476.db2.gz QQNUBYINOFNIJO-YPMHNXCESA-N 2 0 248.374 1.400 20 0 BDADRP Cc1nccnc1CC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000295055190 180274863 /nfs/dbraw/zinc/27/48/63/180274863.db2.gz QQNUBYINOFNIJO-AAEUAGOBSA-N 2 0 248.374 1.400 20 0 BDADRP Cc1ccc(CN2CCCO[C@H](C[NH3+])C2)cc1 ZINC000026472791 350278263 /nfs/dbraw/zinc/27/82/63/350278263.db2.gz FAAJGRKBWPZWPV-CQSZACIVSA-N 2 0 234.343 1.545 20 0 BDADRP C[C@H](CCc1ccco1)[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000309125176 323318374 /nfs/dbraw/zinc/31/83/74/323318374.db2.gz WALLEHHLKNDVTB-VWYCJHECSA-N 2 0 210.321 1.926 20 0 BDADRP Cc1ncsc1CC[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000050285435 180309801 /nfs/dbraw/zinc/30/98/01/180309801.db2.gz CMBIKXSLVOGLDY-NSHDSACASA-N 2 0 239.388 1.665 20 0 BDADRP C[NH2+]CCC[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000328166088 350377031 /nfs/dbraw/zinc/37/70/31/350377031.db2.gz IXJMVKMMLOXKKG-VXGBXAGGSA-N 2 0 214.353 1.079 20 0 BDADRP CC(C)CCOCC[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422786824 192466815 /nfs/dbraw/zinc/46/68/15/192466815.db2.gz SYMOKIQIKZLDAU-RYUDHWBXSA-N 2 0 216.369 1.765 20 0 BDADRP Cc1ncsc1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000168494859 180318694 /nfs/dbraw/zinc/31/86/94/180318694.db2.gz KSSYCOBDPXIZHD-PSASIEDQSA-N 2 0 225.361 1.621 20 0 BDADRP C[C@@H](CCCO)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623537067 362955265 /nfs/dbraw/zinc/95/52/65/362955265.db2.gz LZFXJRCYXWVPIZ-QWHCGFSZSA-N 2 0 242.407 1.857 20 0 BDADRP Cc1nn(C)c(C)c1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000092324896 180340529 /nfs/dbraw/zinc/34/05/29/180340529.db2.gz SPBHIAQCMFLOIN-DGCLKSJQSA-N 2 0 236.363 1.254 20 0 BDADRP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000358410570 180383012 /nfs/dbraw/zinc/38/30/12/180383012.db2.gz VRHQFLQOAXQFIL-OUJBWJOFSA-N 2 0 236.363 1.329 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+][C@H]2COCC2(C)C)CC1(C)C ZINC000623541681 362960098 /nfs/dbraw/zinc/96/00/98/362960098.db2.gz TWFZMRDYPGWJTN-NEPJUHHUSA-N 2 0 240.391 1.874 20 0 BDADRP CC(C)[NH+](CCNC(=O)[C@H](C)[C@H](C)[NH3+])C(C)C ZINC000133628358 191107204 /nfs/dbraw/zinc/10/72/04/191107204.db2.gz VIFNAYNYZNKFMB-NEPJUHHUSA-N 2 0 243.395 1.205 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1CCCSC1 ZINC000061589230 350519075 /nfs/dbraw/zinc/51/90/75/350519075.db2.gz KDIZTDVAHBYBPK-QWRGUYRKSA-N 2 0 216.394 1.812 20 0 BDADRP C[C@@H]([NH2+]CCC[C@H](C)CO)C1CC[NH+](C)CC1 ZINC000222586827 490647597 /nfs/dbraw/zinc/64/75/97/490647597.db2.gz AFWOLWRVEZNWDC-QWHCGFSZSA-N 2 0 242.407 1.715 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@](C)(O)C2)CC1(C)C ZINC000623551635 362972881 /nfs/dbraw/zinc/97/28/81/362972881.db2.gz ACLIYBMUZMAENM-GMXVVIOVSA-N 2 0 226.364 1.362 20 0 BDADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)CC)C1 ZINC000564794064 350661989 /nfs/dbraw/zinc/66/19/89/350661989.db2.gz SUTUYSQNYLUBNV-RYUDHWBXSA-N 2 0 214.353 1.079 20 0 BDADRP Cc1ncc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)o1 ZINC000628308900 350784532 /nfs/dbraw/zinc/78/45/32/350784532.db2.gz PNUQCJBILNWQHZ-LBPRGKRZSA-N 2 0 237.347 1.805 20 0 BDADRP Cc1nocc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000339379873 180506492 /nfs/dbraw/zinc/50/64/92/180506492.db2.gz TYDXNIXLDOBUKY-UHFFFAOYSA-N 2 0 249.358 1.947 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@@H](CO)CCF)CC1(C)C ZINC000623560503 362985266 /nfs/dbraw/zinc/98/52/66/362985266.db2.gz IFWFECYIKLEJBE-WDEREUQCSA-N 2 0 232.343 1.169 20 0 BDADRP Cc1cnccc1C[NH2+][C@H](C)CCC[NH3+] ZINC000379854581 350913258 /nfs/dbraw/zinc/91/32/58/350913258.db2.gz BKJFJOGPQDIHOK-LLVKDONJSA-N 2 0 207.321 1.607 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCCO2)CC[C@H]1[NH3+] ZINC000251929350 362987068 /nfs/dbraw/zinc/98/70/68/362987068.db2.gz YPLLHDHUWPWLPF-GRYCIOLGSA-N 2 0 212.337 1.225 20 0 BDADRP CC[NH+]1CCC([NH2+]CC2(COC)CCC2)CC1 ZINC000336678482 350893645 /nfs/dbraw/zinc/89/36/45/350893645.db2.gz CRKBGQDITGJYRB-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP CCN1CCC[C@@H]([NH2+][C@@H](C)CCC[NH3+])C1 ZINC000336688381 350970682 /nfs/dbraw/zinc/97/06/82/350970682.db2.gz LOIQMXKUUNTPPS-NWDGAFQWSA-N 2 0 213.369 1.188 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CCC([NH+](C)C)CC1 ZINC000036192450 358460556 /nfs/dbraw/zinc/46/05/56/358460556.db2.gz SXFMZLOKNPEMMT-GFCCVEGCSA-N 2 0 227.396 1.386 20 0 BDADRP CC[N@H+](CCN[C@@H]1CC[NH+](C)C[C@@H]1C)C1CC1 ZINC000155850571 351544829 /nfs/dbraw/zinc/54/48/29/351544829.db2.gz LGBUDZLQQIVVFD-GXTWGEPZSA-N 2 0 239.407 1.401 20 0 BDADRP Cc1cccnc1CC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000404897707 363071522 /nfs/dbraw/zinc/07/15/22/363071522.db2.gz HMPINXKTNGHOOV-UKRRQHHQSA-N 2 0 247.386 1.862 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000637817356 351661481 /nfs/dbraw/zinc/66/14/81/351661481.db2.gz UQKXFLCSLOAYNQ-NEPJUHHUSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000577708955 366041332 /nfs/dbraw/zinc/04/13/32/366041332.db2.gz MDHQSQOJYKCPTA-IHRRRGAJSA-N 3 0 239.407 1.354 20 0 BDADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000414792936 351772914 /nfs/dbraw/zinc/77/29/14/351772914.db2.gz JJOJUVKACOCFGW-UPJWGTAASA-N 2 0 228.380 1.763 20 0 BDADRP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000414792937 351773109 /nfs/dbraw/zinc/77/31/09/351773109.db2.gz JJOJUVKACOCFGW-XQQFMLRXSA-N 2 0 228.380 1.763 20 0 BDADRP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000414792939 351773247 /nfs/dbraw/zinc/77/32/47/351773247.db2.gz JJOJUVKACOCFGW-YNEHKIRRSA-N 2 0 228.380 1.763 20 0 BDADRP CC[NH2+][C@@H](C)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000638066680 351938967 /nfs/dbraw/zinc/93/89/67/351938967.db2.gz KKVXHUTYSRIGLQ-NSHDSACASA-N 2 0 249.358 1.685 20 0 BDADRP CCCn1nccc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000392266828 487535715 /nfs/dbraw/zinc/53/57/15/487535715.db2.gz HYTRJDNFEDPTBE-UHFFFAOYSA-N 2 0 248.374 1.645 20 0 BDADRP CO[C@H](C[NH2+]CCC[NH+]1CCCCC1)C1CC1 ZINC000638309572 352136955 /nfs/dbraw/zinc/13/69/55/352136955.db2.gz RSFWKSPCQQUFGJ-CQSZACIVSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)C1CC1 ZINC000638301629 352132936 /nfs/dbraw/zinc/13/29/36/352132936.db2.gz MERPGFQBIMKQKT-NSHDSACASA-N 2 0 240.391 1.610 20 0 BDADRP [NH3+][C@@H]1CC=C(C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000638259077 352103098 /nfs/dbraw/zinc/10/30/98/352103098.db2.gz BKSZUVSOIULHKO-GFCCVEGCSA-N 2 0 243.310 1.276 20 0 BDADRP CC[NH2+][C@@H](C)C(=O)N(CC[NH+](C)C)CC(C)C ZINC000638273223 352110814 /nfs/dbraw/zinc/11/08/14/352110814.db2.gz ZPWZAWVONVTEOM-LBPRGKRZSA-N 2 0 243.395 1.031 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000638333158 352151857 /nfs/dbraw/zinc/15/18/57/352151857.db2.gz OTMRPIFNXJIMGD-QWRGUYRKSA-N 2 0 243.395 1.240 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+]CCC[C@H]1CCO1 ZINC000638337985 352157938 /nfs/dbraw/zinc/15/79/38/352157938.db2.gz OJTUZCSFQANPOE-ZDUSSCGKSA-N 2 0 228.380 1.875 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)Cc2cnccn2)C1 ZINC000638380596 352191023 /nfs/dbraw/zinc/19/10/23/352191023.db2.gz CUGWDZKMEDRHHV-STQMWFEESA-N 2 0 248.374 1.339 20 0 BDADRP C[C@H]([NH3+])CC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000638330314 352147897 /nfs/dbraw/zinc/14/78/97/352147897.db2.gz UOZQCKGVCJPVDZ-AAEUAGOBSA-N 2 0 249.358 1.320 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)NCC1([NH3+])CCCC1 ZINC000638410534 352219654 /nfs/dbraw/zinc/21/96/54/352219654.db2.gz FIKCODWHECWFAA-NSHDSACASA-N 2 0 241.379 1.138 20 0 BDADRP C[C@H]([NH2+]CCCC[NH+](C)C)[C@H]1CC1(F)F ZINC000638450549 352261119 /nfs/dbraw/zinc/26/11/19/352261119.db2.gz GJXRPXMQSNBALL-VHSXEESVSA-N 2 0 220.307 1.962 20 0 BDADRP C[C@@H]([NH2+]CCCC[NH+](C)C)[C@H]1CC1(F)F ZINC000638450547 352261504 /nfs/dbraw/zinc/26/15/04/352261504.db2.gz GJXRPXMQSNBALL-NXEZZACHSA-N 2 0 220.307 1.962 20 0 BDADRP CC[N@@H+]1CCC[C@@H](C[NH2+]CCC[C@H]2CCO2)C1 ZINC000638452234 352261957 /nfs/dbraw/zinc/26/19/57/352261957.db2.gz VVVOSTJXQLJWAY-KBPBESRZSA-N 2 0 240.391 1.877 20 0 BDADRP CCCC[C@@H](COC)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000414918321 352273810 /nfs/dbraw/zinc/27/38/10/352273810.db2.gz RZXKRAVUBFHETK-STQMWFEESA-N 2 0 228.380 1.923 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+]CCC[C@H]1CCO1 ZINC000638465777 352277585 /nfs/dbraw/zinc/27/75/85/352277585.db2.gz GIIBNNNGHZYZPQ-NEPJUHHUSA-N 2 0 214.353 1.485 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000414949093 352370354 /nfs/dbraw/zinc/37/03/54/352370354.db2.gz ZOJVTBVCZJKYNS-QNWHQSFQSA-N 2 0 225.380 1.105 20 0 BDADRP CCOC[C@@H](C)[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000414971297 352398037 /nfs/dbraw/zinc/39/80/37/352398037.db2.gz IQXWWOJUSNRHGG-GFCCVEGCSA-N 2 0 244.379 1.017 20 0 BDADRP Cc1ccc(CCC[NH2+][C@@H](C)[C@H](C)[NH3+])cn1 ZINC000415008532 352512229 /nfs/dbraw/zinc/51/22/29/352512229.db2.gz FDOGGLJNAGTBII-RYUDHWBXSA-N 2 0 221.348 1.648 20 0 BDADRP C[NH+]1CCC(O)(C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000638681929 352519478 /nfs/dbraw/zinc/51/94/78/352519478.db2.gz OQZDLHPCHQLGFT-CLLJXQQHSA-N 2 0 238.375 1.079 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC[C@H]1CCCCO1 ZINC000300367534 352560736 /nfs/dbraw/zinc/56/07/36/352560736.db2.gz LETKIBXSAXCIML-JHJVBQTASA-N 2 0 226.364 1.757 20 0 BDADRP CC[N@H+](CCN[C@@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000300369264 352560831 /nfs/dbraw/zinc/56/08/31/352560831.db2.gz WKRKIFXPUPCWMC-NWDGAFQWSA-N 2 0 225.380 1.330 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC[C@H]2CCCCO2)C1 ZINC000300368481 352561019 /nfs/dbraw/zinc/56/10/19/352561019.db2.gz RDHFROIBRZUQTD-FRRDWIJNSA-N 2 0 226.364 1.805 20 0 BDADRP C[C@@H]1C[C@H](N2CC([NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000307556030 352648249 /nfs/dbraw/zinc/64/82/49/352648249.db2.gz YQIAMNNJLARDCH-DOMZBBRYSA-N 2 0 245.370 1.292 20 0 BDADRP CC[NH+]1CCC(N(C)C[C@H]2CCC[NH2+]C2)CC1 ZINC000042689539 352623625 /nfs/dbraw/zinc/62/36/25/352623625.db2.gz NPZFFSBZUJCQFT-ZDUSSCGKSA-N 2 0 239.407 1.402 20 0 BDADRP C[NH+](C)[C@H](CN[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000043324442 352636685 /nfs/dbraw/zinc/63/66/85/352636685.db2.gz TXWNOZZPSONKDV-HUUCEWRRSA-N 2 0 247.386 1.631 20 0 BDADRP C(C[N@@H+]1CCO[C@H]2CCC[C@@H]21)C1CC[NH2+]CC1 ZINC000043425692 352637219 /nfs/dbraw/zinc/63/72/19/352637219.db2.gz RDXMTKJGSMBUBN-KBPBESRZSA-N 2 0 238.375 1.629 20 0 BDADRP CC(C)[NH+]1CCC(N(C)C(=O)C[C@H](C)[NH3+])CC1 ZINC000037804638 187806146 /nfs/dbraw/zinc/80/61/46/187806146.db2.gz AYDFDYMEOKMJQU-NSHDSACASA-N 2 0 241.379 1.055 20 0 BDADRP C1C[C@@H]([NH2+][C@H]2CC[NH2+]C2)C2(C1)CCOCC2 ZINC000335023211 187815190 /nfs/dbraw/zinc/81/51/90/187815190.db2.gz PKWSCETUJGNNBY-NWDGAFQWSA-N 2 0 224.348 1.287 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)CCO1 ZINC000310238944 187824308 /nfs/dbraw/zinc/82/43/08/187824308.db2.gz LFJCDPTYELTWFZ-MCIONIFRSA-N 2 0 242.407 1.977 20 0 BDADRP C[N@@H+]1CCC[C@]2(CC[NH+](CCn3cccn3)C2)C1 ZINC000334216916 352816713 /nfs/dbraw/zinc/81/67/13/352816713.db2.gz GPRKWYUIOUKXCZ-AWEZNQCLSA-N 2 0 248.374 1.301 20 0 BDADRP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@@H]3CCCO3)C2)C1 ZINC000334235403 352852506 /nfs/dbraw/zinc/85/25/06/352852506.db2.gz HAPWMTWYMUHVIK-KBPBESRZSA-N 2 0 238.375 1.583 20 0 BDADRP Cc1c[nH+]ccc1N1CCC[C@@H]([NH+](C)C)C1 ZINC000191980391 363197647 /nfs/dbraw/zinc/19/76/47/363197647.db2.gz IPNQBSNKDKUBQO-GFCCVEGCSA-N 2 0 219.332 1.920 20 0 BDADRP CC[C@@H](O)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000334235815 352853337 /nfs/dbraw/zinc/85/33/37/352853337.db2.gz HLTFWDJYVSKACO-GFCCVEGCSA-N 2 0 226.364 1.318 20 0 BDADRP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]CCC1(O)CCC1 ZINC000342811272 352862386 /nfs/dbraw/zinc/86/23/86/352862386.db2.gz SSZJRPNHKSRNPD-WCQYABFASA-N 2 0 238.375 1.364 20 0 BDADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CCC1(O)CCC1 ZINC000342811271 352862592 /nfs/dbraw/zinc/86/25/92/352862592.db2.gz SSZJRPNHKSRNPD-DGCLKSJQSA-N 2 0 238.375 1.364 20 0 BDADRP C[N@H+]1CC=C(C[NH2+]CC2CCSCC2)CC1 ZINC000638839041 353022966 /nfs/dbraw/zinc/02/29/66/353022966.db2.gz VKJYZMUDEJGBBE-UHFFFAOYSA-N 2 0 240.416 1.981 20 0 BDADRP CC(C)[N@H+](C)CC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638820460 353000572 /nfs/dbraw/zinc/00/05/72/353000572.db2.gz WNYWFPIUYJHBSC-GFCCVEGCSA-N 2 0 241.379 1.057 20 0 BDADRP CC[C@H](C)[C@@H](C[NH2+]CCN1CC[C@@H](C)C1)OC ZINC000638870653 353042920 /nfs/dbraw/zinc/04/29/20/353042920.db2.gz FCPGSHGABVUKES-HZSPNIEDSA-N 2 0 242.407 1.979 20 0 BDADRP CCC[C@H](C[N@@H+]1CC[C@@H]2CCN(C)C[C@H]21)OC ZINC000638919095 353083942 /nfs/dbraw/zinc/08/39/42/353083942.db2.gz YEAALIZTHFZKCQ-BFHYXJOUSA-N 2 0 240.391 1.828 20 0 BDADRP C[C@H]([NH3+])c1ccc(C(=O)N2C[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000638928314 353086635 /nfs/dbraw/zinc/08/66/35/353086635.db2.gz HKICOFKIRTVUCH-NRUUGDAUSA-N 2 0 247.342 1.268 20 0 BDADRP C[C@H]([NH3+])c1ccc(C(=O)N2C[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000638928315 353086777 /nfs/dbraw/zinc/08/67/77/353086777.db2.gz HKICOFKIRTVUCH-OUJBWJOFSA-N 2 0 247.342 1.268 20 0 BDADRP CCCC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCCC1 ZINC000037619413 358475595 /nfs/dbraw/zinc/47/55/95/358475595.db2.gz YREHSSIPYWROMB-GFCCVEGCSA-N 2 0 241.379 1.106 20 0 BDADRP Cc1csc(CN2CCC([NH3+])CC2)n1 ZINC000049533922 353168279 /nfs/dbraw/zinc/16/82/79/353168279.db2.gz HKRLMTIWJJMDID-UHFFFAOYSA-N 2 0 211.334 1.375 20 0 BDADRP CC(C)CO[C@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261930152 535210453 /nfs/dbraw/zinc/21/04/53/535210453.db2.gz CRLZKNNIDQRWKA-UONOGXRCSA-N 2 0 240.391 1.733 20 0 BDADRP CC[C@@]1(C(=O)NCCC[NH2+]C(C)C)CCC[NH2+]1 ZINC000134367736 538111961 /nfs/dbraw/zinc/11/19/61/538111961.db2.gz CRQCXLJIAFBUCN-ZDUSSCGKSA-N 2 0 241.379 1.023 20 0 BDADRP Cn1ccc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000252894386 353313155 /nfs/dbraw/zinc/31/31/55/353313155.db2.gz VMBUOZAZTIEESU-AAEUAGOBSA-N 2 0 234.347 1.137 20 0 BDADRP CC[C@H]([NH3+])C(=O)N1CC[C@H](C[NH3+])c2ccccc21 ZINC000639071160 353386970 /nfs/dbraw/zinc/38/69/70/353386970.db2.gz GKWBXSCARGTSHC-PWSUYJOCSA-N 2 0 247.342 1.203 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(CCO)CCC1 ZINC000358294163 188423324 /nfs/dbraw/zinc/42/33/24/188423324.db2.gz JCEBHACSALCCAP-STQMWFEESA-N 2 0 240.391 1.469 20 0 BDADRP CC[C@@H](C)[C@@H](C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)OC ZINC000639113870 353714866 /nfs/dbraw/zinc/71/48/66/353714866.db2.gz YIQBPGBHWYZLFW-YIYPIFLZSA-N 2 0 240.391 1.541 20 0 BDADRP Fc1cccc(OCCN2CCC[NH2+]CC2)c1 ZINC000041280391 181002770 /nfs/dbraw/zinc/00/27/70/181002770.db2.gz LIHAUVAHTZKQRR-UHFFFAOYSA-N 2 0 238.306 1.500 20 0 BDADRP C[NH+]1CCC(CC[NH2+]CC2(F)CC2)CC1 ZINC000308953214 353726214 /nfs/dbraw/zinc/72/62/14/353726214.db2.gz PSRRSKLYAFMKGT-UHFFFAOYSA-N 2 0 214.328 1.810 20 0 BDADRP CC(C)COCC[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000232660483 353752520 /nfs/dbraw/zinc/75/25/20/353752520.db2.gz WZMQNRNJXHMYAY-ZDUSSCGKSA-N 2 0 228.380 1.720 20 0 BDADRP CC(C)COCC[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000232655584 353745281 /nfs/dbraw/zinc/74/52/81/353745281.db2.gz DCIMHZIKLHHAJC-GFCCVEGCSA-N 2 0 228.380 1.718 20 0 BDADRP CC(C)COCC[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000232655738 353745386 /nfs/dbraw/zinc/74/53/86/353745386.db2.gz DCIMHZIKLHHAJC-LBPRGKRZSA-N 2 0 228.380 1.718 20 0 BDADRP C1=CCN(CC[NH2+]CCC[C@H]2CCO2)CC1 ZINC000639124241 353803499 /nfs/dbraw/zinc/80/34/99/353803499.db2.gz RZMSIMILMJLNJC-ZDUSSCGKSA-N 2 0 224.348 1.407 20 0 BDADRP C[C@@]1(C(=O)Nc2ccc(C[NH3+])cc2)CCC[NH2+]C1 ZINC000131740705 188513279 /nfs/dbraw/zinc/51/32/79/188513279.db2.gz CKTGNGFXPQZEAB-CQSZACIVSA-N 2 0 247.342 1.474 20 0 BDADRP CCCn1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cn1 ZINC000220337014 353829086 /nfs/dbraw/zinc/82/90/86/353829086.db2.gz JMRNMAOCXWYVQS-NWDGAFQWSA-N 2 0 236.363 1.462 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000104181871 188505142 /nfs/dbraw/zinc/50/51/42/188505142.db2.gz DPDQJOSPGCBIAG-KBPBESRZSA-N 2 0 239.407 1.530 20 0 BDADRP C[C@H]([NH3+])c1ccc(C(=O)NC(C)(C)C[NH3+])cc1 ZINC000577947318 366125582 /nfs/dbraw/zinc/12/55/82/366125582.db2.gz OUACFLVQVUMSNJ-VIFPVBQESA-N 2 0 235.331 1.173 20 0 BDADRP C[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639165898 354001977 /nfs/dbraw/zinc/00/19/77/354001977.db2.gz ATMULNZQCSFRRG-YPMHNXCESA-N 2 0 240.391 1.610 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc3c[nH]nc32)C1 ZINC000334558975 354007644 /nfs/dbraw/zinc/00/76/44/354007644.db2.gz JEQWWQCAKJKXLU-PWSUYJOCSA-N 2 0 244.342 1.732 20 0 BDADRP CC[C@H](C)[C@H](C[N@H+](C)CCC[NH+](C)C)OC ZINC000639168409 354073761 /nfs/dbraw/zinc/07/37/61/354073761.db2.gz STJMKBLOYIRODA-STQMWFEESA-N 2 0 230.396 1.931 20 0 BDADRP CO[C@@H](C[N@H+](C)CCC[NH+](C)C)C1CC1 ZINC000639167187 354048602 /nfs/dbraw/zinc/04/86/02/354048602.db2.gz BGOQQDODLOZZFB-LBPRGKRZSA-N 2 0 214.353 1.295 20 0 BDADRP CCCC[N@H+](C)C[C@@H](C)NC1CC[NH+](C)CC1 ZINC000344037215 354102390 /nfs/dbraw/zinc/10/23/90/354102390.db2.gz ILGZABSTGYCWBK-CYBMUJFWSA-N 2 0 241.423 1.791 20 0 BDADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000449683817 202003427 /nfs/dbraw/zinc/00/34/27/202003427.db2.gz OBKINJXCALUZBK-WOPDTQHZSA-N 2 0 241.379 1.008 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN[C@H]1CCCC[NH2+]C1 ZINC000332042156 188588246 /nfs/dbraw/zinc/58/82/46/188588246.db2.gz ULTUWSHPIUBHIU-NEPJUHHUSA-N 2 0 213.369 1.092 20 0 BDADRP CCN1C[C@@H](C)[C@H]([NH2+]CC2=CC[N@H+](C)CC2)C1 ZINC000344304470 354215335 /nfs/dbraw/zinc/21/53/35/354215335.db2.gz UKIMGRNKFYCXTD-TZMCWYRMSA-N 2 0 237.391 1.178 20 0 BDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000334597046 354230734 /nfs/dbraw/zinc/23/07/34/354230734.db2.gz NLTLMXQGUFXAKY-RISCZKNCSA-N 2 0 244.342 1.374 20 0 BDADRP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000344435289 354272654 /nfs/dbraw/zinc/27/26/54/354272654.db2.gz CSKYMYVMPOQEPU-MCIONIFRSA-N 2 0 242.407 1.713 20 0 BDADRP Nc1cccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000334649753 354441628 /nfs/dbraw/zinc/44/16/28/354441628.db2.gz VWFJYZUBXOJCRA-CQSZACIVSA-N 2 0 231.343 1.454 20 0 BDADRP CCCCC[NH2+][C@H](CCC[NH3+])COC ZINC000232968294 363391090 /nfs/dbraw/zinc/39/10/90/363391090.db2.gz LPMXSXOCUUWIBI-LLVKDONJSA-N 2 0 202.342 1.520 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)C[NH3+])C1(C)C ZINC000233766574 363407682 /nfs/dbraw/zinc/40/76/82/363407682.db2.gz NQRLZTZMHOHKKL-GARJFASQSA-N 2 0 214.353 1.374 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)C2(C)C[NH2+]C2)cc1 ZINC000335145946 354856670 /nfs/dbraw/zinc/85/66/70/354856670.db2.gz LCBPRSAHNHZGDV-VIFPVBQESA-N 2 0 233.315 1.254 20 0 BDADRP CC[C@@H](C)C[NH2+][C@H](CCC[NH3+])COC ZINC000233832469 363408804 /nfs/dbraw/zinc/40/88/04/363408804.db2.gz NWUKJVBVILAWSS-GHMZBOCLSA-N 2 0 202.342 1.376 20 0 BDADRP COCC[C@@H](C)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000234671508 363426020 /nfs/dbraw/zinc/42/60/20/363426020.db2.gz DOIOEUIEBAHAKO-MNOVXSKESA-N 2 0 200.326 1.082 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]C1CCCCC1 ZINC000234709757 363427521 /nfs/dbraw/zinc/42/75/21/363427521.db2.gz AOTYRRSBUZYMNV-GFCCVEGCSA-N 2 0 214.353 1.663 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCCS1 ZINC000234728046 363429231 /nfs/dbraw/zinc/42/92/31/363429231.db2.gz VXKPPPFLVFRKLC-GHMZBOCLSA-N 2 0 232.393 1.226 20 0 BDADRP CN1CC[C@](O)(C[NH2+][C@@H]2CCCC23CCC3)C1 ZINC000335168628 354930489 /nfs/dbraw/zinc/93/04/89/354930489.db2.gz GJKQMTONEQTWQA-OCCSQVGLSA-N 2 0 238.375 1.365 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC2CC[NH2+]CC2)cc1 ZINC000335174720 354941445 /nfs/dbraw/zinc/94/14/45/354941445.db2.gz CAEXAQGPLGPALX-JTQLQIEISA-N 2 0 219.332 1.870 20 0 BDADRP CCC[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000335176797 354945698 /nfs/dbraw/zinc/94/56/98/354945698.db2.gz QGALQTWVWHMQCA-OLZOCXBDSA-N 2 0 226.364 1.615 20 0 BDADRP C[C@@H](CCC1CC1)[NH2+]C[C@@H]1CN(C)CCN1C ZINC000346593050 354986721 /nfs/dbraw/zinc/98/67/21/354986721.db2.gz KTVSHSOUXOFKNA-GXTWGEPZSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccc2c1OCO2 ZINC000346688327 355013835 /nfs/dbraw/zinc/01/38/35/355013835.db2.gz XUQGCDBGGRGBNL-GHMZBOCLSA-N 2 0 248.326 1.584 20 0 BDADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccccc1N(C)C ZINC000346693070 355076298 /nfs/dbraw/zinc/07/62/98/355076298.db2.gz KQZLTPWNUXXVQV-STQMWFEESA-N 2 0 247.386 1.922 20 0 BDADRP CC[C@@H](C)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530239772 324552415 /nfs/dbraw/zinc/55/24/15/324552415.db2.gz HRUFVCPXGLKIGW-TZMCWYRMSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)C(C)(C)[NH3+])c1 ZINC000335235655 355097011 /nfs/dbraw/zinc/09/70/11/355097011.db2.gz CHAAASTWCBHHIL-UHFFFAOYSA-N 2 0 221.304 1.130 20 0 BDADRP CC(C)[NH2+]C1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346848439 355136702 /nfs/dbraw/zinc/13/67/02/355136702.db2.gz DONOMLTUEWKTEQ-CYBMUJFWSA-N 2 0 239.407 1.448 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@H]2CCOC2)[C@@H](C)C1 ZINC000346881652 355144130 /nfs/dbraw/zinc/14/41/30/355144130.db2.gz OGTXWCAGLCZEGA-IHRRRGAJSA-N 2 0 240.391 1.733 20 0 BDADRP CCOC[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346971041 355207625 /nfs/dbraw/zinc/20/76/25/355207625.db2.gz GUNLGCTXJYUUOD-ZIAGYGMSSA-N 2 0 240.391 1.735 20 0 BDADRP Cc1cc(N)cc(C[NH2+]C2CCC([NH3+])CC2)c1 ZINC000335242533 355178169 /nfs/dbraw/zinc/17/81/69/355178169.db2.gz SCWIUTHIDUMNEM-UHFFFAOYSA-N 2 0 233.359 1.937 20 0 BDADRP C[C@@H]1CCCN(C[C@H]2CCC[NH2+]C2)[C@H]1C[NH3+] ZINC000346994080 355192546 /nfs/dbraw/zinc/19/25/46/355192546.db2.gz BDKGYACNJONEKD-AGIUHOORSA-N 2 0 225.380 1.045 20 0 BDADRP CC(C)([NH3+])CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000347004504 355201636 /nfs/dbraw/zinc/20/16/36/355201636.db2.gz OKONEQWQQDHXGG-CYBMUJFWSA-N 2 0 239.407 1.532 20 0 BDADRP FC(F)C1CCC([NH2+][C@H]2CC[NH2+]C2)CC1 ZINC000335616251 355322505 /nfs/dbraw/zinc/32/25/05/355322505.db2.gz UVMGXGGQUSNMKG-RTBKNWGFSA-N 2 0 218.291 1.762 20 0 BDADRP CCN1CC[C@@H]([NH2+][C@H](C)Cc2cnccn2)C1 ZINC000639266025 355324646 /nfs/dbraw/zinc/32/46/46/355324646.db2.gz IBSBSDXQBLENMJ-VXGBXAGGSA-N 2 0 234.347 1.091 20 0 BDADRP CO[C@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000191202098 355345676 /nfs/dbraw/zinc/34/56/76/355345676.db2.gz IRLYORJWSNWTBA-WAAKLRNESA-N 2 0 212.337 1.236 20 0 BDADRP c1c[nH]c(C2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000335787318 355437747 /nfs/dbraw/zinc/43/77/47/355437747.db2.gz HQDPEVVTLUXONZ-GFCCVEGCSA-N 2 0 248.374 1.589 20 0 BDADRP CCCC[C@@H](COC)[NH2+]C[C@@H](C)C[NH2+]C ZINC000414834807 191594766 /nfs/dbraw/zinc/59/47/66/191594766.db2.gz HVBJARHQSPBCQW-RYUDHWBXSA-N 2 0 216.369 1.637 20 0 BDADRP C[C@H](CC1CCOCC1)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414839457 191596142 /nfs/dbraw/zinc/59/61/42/191596142.db2.gz WKJOQYJELJJXBS-TZMCWYRMSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@H]1CC([NH2+]CCN2CC[NH2+]CC2)C[C@H](C)C1 ZINC000414859989 191602703 /nfs/dbraw/zinc/60/27/03/191602703.db2.gz BWKJCDSPMPAMFR-CHWSQXEVSA-N 2 0 239.407 1.306 20 0 BDADRP CC(C)C[C@H]([NH3+])CN(C)[C@H]1CCC[NH2+]CC1 ZINC000414747628 191560398 /nfs/dbraw/zinc/56/03/98/191560398.db2.gz HIKHOTHFALIFQW-STQMWFEESA-N 2 0 227.396 1.434 20 0 BDADRP CC(C)n1nccc1C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415050323 191653024 /nfs/dbraw/zinc/65/30/24/191653024.db2.gz YMFZLMOBDQFSOL-VXGBXAGGSA-N 2 0 236.363 1.681 20 0 BDADRP Cc1nc(C)c(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)s1 ZINC000415028720 191656251 /nfs/dbraw/zinc/65/62/51/191656251.db2.gz DEDZKEJVPCZNQH-GHMZBOCLSA-N 2 0 239.388 1.977 20 0 BDADRP C[C@H](CC[NH3+])NC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000349989918 355547288 /nfs/dbraw/zinc/54/72/88/355547288.db2.gz OGJZMSBIAJINKT-UTUOFQBUSA-N 2 0 241.379 1.138 20 0 BDADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccsc2)C1 ZINC000415027617 191657074 /nfs/dbraw/zinc/65/70/74/191657074.db2.gz BIBQLVLTLOUTSA-GXSJLCMTSA-N 2 0 210.346 1.965 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](Cc2cccc3c[nH]nc32)C1 ZINC000335856008 355600447 /nfs/dbraw/zinc/60/04/47/355600447.db2.gz SWWJOLMDOCIVJF-JTQLQIEISA-N 2 0 230.315 1.344 20 0 BDADRP CCOC1CC(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000639309871 355666591 /nfs/dbraw/zinc/66/65/91/355666591.db2.gz HCJWJPXNCDBLQY-GIPGFSNBSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@@H]1C[C@@H](N2CCc3n[nH]cc3C2)CC[N@@H+]1C ZINC000639343185 355785642 /nfs/dbraw/zinc/78/56/42/355785642.db2.gz GUQODPHTULXIEY-PWSUYJOCSA-N 2 0 234.347 1.251 20 0 BDADRP C[C@H]1C[C@H](N2CCc3n[nH]cc3C2)CC[N@@H+]1C ZINC000639343183 355785695 /nfs/dbraw/zinc/78/56/95/355785695.db2.gz GUQODPHTULXIEY-CMPLNLGQSA-N 2 0 234.347 1.251 20 0 BDADRP CN(C)c1ccccc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000608492926 355818395 /nfs/dbraw/zinc/81/83/95/355818395.db2.gz MBWDZDWUJXKZMG-KBPBESRZSA-N 2 0 245.370 1.404 20 0 BDADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)C(C)(C)[NH3+] ZINC000417829711 191933126 /nfs/dbraw/zinc/93/31/26/191933126.db2.gz IPUVKKXAOSUHIQ-LBPRGKRZSA-N 2 0 249.358 1.102 20 0 BDADRP COC[C@H]1CC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000351227591 355964058 /nfs/dbraw/zinc/96/40/58/355964058.db2.gz OJUKDUVYSQSHTD-KBPBESRZSA-N 2 0 240.391 1.829 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+](CC3=CCCOC3)C2)C1 ZINC000336113311 134087367 /nfs/dbraw/zinc/08/73/67/134087367.db2.gz ZZUXPKYXEAEZLS-CQSZACIVSA-N 2 0 236.359 1.361 20 0 BDADRP c1cc(CCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccn1 ZINC000420318559 192195085 /nfs/dbraw/zinc/19/50/85/192195085.db2.gz QHHHXJYWMQORIA-CABCVRRESA-N 2 0 245.370 1.698 20 0 BDADRP CC[C@H](CCO)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422864520 192493211 /nfs/dbraw/zinc/49/32/11/192493211.db2.gz NHLOOBRUNJDGDV-PNESKVBLSA-N 2 0 228.380 1.502 20 0 BDADRP CC(C)[N@H+](CCN1CC[NH2+]CC1)C1CCC1 ZINC000420299227 192204650 /nfs/dbraw/zinc/20/46/50/192204650.db2.gz IKPJATKHRNQZJE-UHFFFAOYSA-N 2 0 225.380 1.155 20 0 BDADRP C[C@@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)[C@@H]1CN ZINC000420296600 192204779 /nfs/dbraw/zinc/20/47/79/192204779.db2.gz XFZZBKVIPZHARS-JHJVBQTASA-N 2 0 225.380 1.045 20 0 BDADRP C(CN1CC[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCC[NH2+]C1 ZINC000420295683 192205719 /nfs/dbraw/zinc/20/57/19/192205719.db2.gz VXUCFZBIAUSHAL-MCIONIFRSA-N 2 0 237.391 1.202 20 0 BDADRP CC[N@H+](CCN1CC[NH2+]CC1)[C@H](C)C(C)C ZINC000420303902 192206520 /nfs/dbraw/zinc/20/65/20/192206520.db2.gz NXFIURGXSXWUGV-CYBMUJFWSA-N 2 0 227.396 1.258 20 0 BDADRP CC[NH+](CC)CCCN1CCC([NH2+]C)CC1 ZINC000420302108 192206894 /nfs/dbraw/zinc/20/68/94/192206894.db2.gz WGEANTWCUZKFJX-UHFFFAOYSA-N 2 0 227.396 1.402 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000420319554 192195974 /nfs/dbraw/zinc/19/59/74/192195974.db2.gz XSBBALNHAVTFQR-AWEZNQCLSA-N 3 0 241.423 1.779 20 0 BDADRP [NH3+]C[C@H]1CCCN1CCC[NH+]1CCCCC1 ZINC000420282071 192199650 /nfs/dbraw/zinc/19/96/50/192199650.db2.gz AMLUNCZJCJOUDB-CYBMUJFWSA-N 2 0 225.380 1.286 20 0 BDADRP CC(C)COCC[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000420289366 192201704 /nfs/dbraw/zinc/20/17/04/192201704.db2.gz KFQMTVHNQDJRAS-GFCCVEGCSA-N 2 0 214.353 1.376 20 0 BDADRP CC[N@H+](CC[C@@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]CC1 ZINC000420302711 192206749 /nfs/dbraw/zinc/20/67/49/192206749.db2.gz BVRJOYYUDDIPPR-UONOGXRCSA-N 3 0 239.407 1.450 20 0 BDADRP CCOC(=O)CCCC[N@H+](C)C1CC([NH3+])C1 ZINC000420342913 192215573 /nfs/dbraw/zinc/21/55/73/192215573.db2.gz VZLPARJPAAOVSL-UHFFFAOYSA-N 2 0 228.336 1.141 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)[C@@H](CN)C1 ZINC000420339707 192216004 /nfs/dbraw/zinc/21/60/04/192216004.db2.gz OVQAGXZEZBDVRJ-JHJVBQTASA-N 2 0 225.380 1.045 20 0 BDADRP CC[N@H+](CCCF)[C@H]1CCC[NH2+]CC1 ZINC000420306438 192208926 /nfs/dbraw/zinc/20/89/26/192208926.db2.gz HLMOXKJSMCBRJP-NSHDSACASA-N 2 0 202.317 1.810 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420307694 192208987 /nfs/dbraw/zinc/20/89/87/192208987.db2.gz CBFNVCBNTWJDBU-QWHCGFSZSA-N 3 0 225.380 1.047 20 0 BDADRP COC1CCC([N@H+](C)CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420308050 192210877 /nfs/dbraw/zinc/21/08/77/192210877.db2.gz RXHVECDPGWGGSS-HSBZDZAISA-N 2 0 240.391 1.875 20 0 BDADRP CCOC[C@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420312808 192211001 /nfs/dbraw/zinc/21/10/01/192211001.db2.gz XITUOUAFCMQOMR-KGLIPLIRSA-N 2 0 240.391 1.735 20 0 BDADRP CCOC(=O)CCCC[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000420311128 192211698 /nfs/dbraw/zinc/21/16/98/192211698.db2.gz GVJLWCMFDISWLQ-NWDGAFQWSA-N 2 0 242.363 1.389 20 0 BDADRP CCCC[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420326003 192228774 /nfs/dbraw/zinc/22/87/74/192228774.db2.gz IXUQVIMJQSVPCG-OLZOCXBDSA-N 2 0 226.364 1.615 20 0 BDADRP C[N@H+](CCOc1cccc(F)c1)C1CC([NH3+])C1 ZINC000420329059 192230165 /nfs/dbraw/zinc/23/01/65/192230165.db2.gz IWQAHXKCBCRLPX-UHFFFAOYSA-N 2 0 238.306 1.626 20 0 BDADRP C[C@H](C[N@H+](C)CCOCC[NH3+])c1nccs1 ZINC000420365119 192224367 /nfs/dbraw/zinc/22/43/67/192224367.db2.gz RUPQLHCNIGTMNX-SNVBAGLBSA-N 2 0 243.376 1.154 20 0 BDADRP COC[C@@H]1CCCC[N@H+](C[C@@H](C)N)C1 ZINC000420368300 192225518 /nfs/dbraw/zinc/22/55/18/192225518.db2.gz HZRANFRFSVIBJV-GHMZBOCLSA-N 2 0 200.326 1.082 20 0 BDADRP C(C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)OCC1CC1 ZINC000420388874 192234627 /nfs/dbraw/zinc/23/46/27/192234627.db2.gz XEZNCCRJFJFVPH-CQSZACIVSA-N 2 0 238.375 1.489 20 0 BDADRP CCOCCC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420384462 192235490 /nfs/dbraw/zinc/23/54/90/192235490.db2.gz DVNNHRKKXKFPDO-UONOGXRCSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)[C@H](C)CN1 ZINC000420387050 192235863 /nfs/dbraw/zinc/23/58/63/192235863.db2.gz GGIHWRJLAWNBPY-JHJVBQTASA-N 2 0 225.380 1.058 20 0 BDADRP C([C@@H]1CCOC1)[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420403820 192237810 /nfs/dbraw/zinc/23/78/10/192237810.db2.gz RTPUXROBIJWNCF-IHRRRGAJSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@@H]1CCC[C@@H]([NH2+]CCOCC[NH3+])[C@@H]1C ZINC000420403121 192238311 /nfs/dbraw/zinc/23/83/11/192238311.db2.gz KOTKPSRYYNQZHX-IJLUTSLNSA-N 2 0 214.353 1.376 20 0 BDADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)[C@H]1CCCO1 ZINC000420398319 192238433 /nfs/dbraw/zinc/23/84/33/192238433.db2.gz GWQYFQVXFDTIAT-WCQYABFASA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H]([NH3+])CN[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000420412518 192241223 /nfs/dbraw/zinc/24/12/23/192241223.db2.gz SGYNQWJREWEEJN-UBHSHLNASA-N 2 0 233.359 1.369 20 0 BDADRP CC[N@@H+]1CC[C@@H](Nc2cc(C)nc(C(C)C)n2)C1 ZINC000389399856 356491327 /nfs/dbraw/zinc/49/13/27/356491327.db2.gz PKAPAUPPPUUVFJ-GFCCVEGCSA-N 2 0 248.374 1.836 20 0 BDADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC(C)(C)C[NH+](C)C ZINC000019505671 356484308 /nfs/dbraw/zinc/48/43/08/356484308.db2.gz BCPJNVPIQGSBGI-MNOVXSKESA-N 2 0 243.395 1.064 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)CCC[NH3+] ZINC000019518924 356484464 /nfs/dbraw/zinc/48/44/64/356484464.db2.gz PQSMQZUEGDZCJO-GFCCVEGCSA-N 2 0 243.395 1.352 20 0 BDADRP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cc[nH]c(=O)c2)CC1 ZINC000639612814 356537233 /nfs/dbraw/zinc/53/72/33/356537233.db2.gz NNBDIXPDVAXQTP-CYBMUJFWSA-N 2 0 249.358 1.703 20 0 BDADRP CN(CC[C@H]1CCC[N@@H+]1C)C[C@@H]1CCC[NH+]1C ZINC000420993786 192291589 /nfs/dbraw/zinc/29/15/89/192291589.db2.gz BDCJBOCCZPGWDC-KGLIPLIRSA-N 2 0 239.407 1.497 20 0 BDADRP C[C@H]1OCC[C@@H]1[NH2+]CCN1CCCC1(C)C ZINC000449781690 202034828 /nfs/dbraw/zinc/03/48/28/202034828.db2.gz JGBXZQXEHJQLKK-NEPJUHHUSA-N 2 0 226.364 1.628 20 0 BDADRP C[C@@H]1CC[C@@H](O)C[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000421020961 192306562 /nfs/dbraw/zinc/30/65/62/192306562.db2.gz NTVMWDWRGOHVIW-FRRDWIJNSA-N 2 0 226.364 1.316 20 0 BDADRP COC[C@@H](C)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682641 356592784 /nfs/dbraw/zinc/59/27/84/356592784.db2.gz GNUBABXMHGSCHV-CYBMUJFWSA-N 2 0 249.358 1.629 20 0 BDADRP CCC[C@H](CCO)C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423001910 192523458 /nfs/dbraw/zinc/52/34/58/192523458.db2.gz FGTCFQYDXAGXSO-SDDRHHMPSA-N 2 0 216.369 1.501 20 0 BDADRP CC(C)[C@@H](CN[C@@H](C)C[C@H](C)[NH3+])[NH+]1CCCC1 ZINC000422968108 192530468 /nfs/dbraw/zinc/53/04/68/192530468.db2.gz VPCQWIMVDFFNQW-MELADBBJSA-N 2 0 241.423 1.822 20 0 BDADRP CC[C@H](C[C@H](C)CO)[NH2+][C@H](C)CCCC[NH3+] ZINC000423004961 192534924 /nfs/dbraw/zinc/53/49/24/192534924.db2.gz LDNAJBJPEPEZQW-YNEHKIRRSA-N 2 0 230.396 1.891 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](CCO)C(C)(C)C ZINC000423041159 192549221 /nfs/dbraw/zinc/54/92/21/192549221.db2.gz WGFMUNZZNLDVIH-HBNTYKKESA-N 2 0 216.369 1.499 20 0 BDADRP CO[C@@H](C)[C@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000423068005 192557324 /nfs/dbraw/zinc/55/73/24/192557324.db2.gz JEBGUOBKIARBBH-VWYCJHECSA-N 2 0 202.342 1.517 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423082137 192561112 /nfs/dbraw/zinc/56/11/12/192561112.db2.gz CROSVCPMNRHNFP-AGIUHOORSA-N 2 0 227.396 1.447 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CCC1(C)CC1 ZINC000423091104 192563946 /nfs/dbraw/zinc/56/39/46/192563946.db2.gz ZJOUJIROJTYHQR-LLVKDONJSA-N 2 0 214.353 1.520 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)[C@H]1CCCOC1 ZINC000423048188 192551640 /nfs/dbraw/zinc/55/16/40/192551640.db2.gz VVZSGYXCGCBFDH-DGAVXFQQSA-N 2 0 240.391 1.779 20 0 BDADRP COCCCC[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639754716 356657199 /nfs/dbraw/zinc/65/71/99/356657199.db2.gz DTRUXBUVYHEUAD-UHFFFAOYSA-N 2 0 240.391 1.831 20 0 BDADRP CCOCCC[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639759026 356670010 /nfs/dbraw/zinc/67/00/10/356670010.db2.gz ZSXOFJQBKBJHSS-UHFFFAOYSA-N 2 0 240.391 1.831 20 0 BDADRP COCC[C@@H](C)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639758921 356670166 /nfs/dbraw/zinc/67/01/66/356670166.db2.gz XXNRXHAWQRVKHL-CYBMUJFWSA-N 2 0 240.391 1.829 20 0 BDADRP CCc1cc(N(C)CC[NH+](C)C)cc[nH+]1 ZINC000450362849 202142811 /nfs/dbraw/zinc/14/28/11/202142811.db2.gz HKWMWWQXUJBPQE-UHFFFAOYSA-N 2 0 207.321 1.642 20 0 BDADRP CC(C)CCC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639764803 356692541 /nfs/dbraw/zinc/69/25/41/356692541.db2.gz XJCDYUCDIFASMZ-CQSZACIVSA-N 2 0 242.407 1.811 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C1CC(C)(F)C1 ZINC000423145208 192587580 /nfs/dbraw/zinc/58/75/80/192587580.db2.gz JOANCHGKOTXLGX-KPPDAEKUSA-N 2 0 202.317 1.984 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCN1CC=CCC1 ZINC000392279056 259469482 /nfs/dbraw/zinc/46/94/82/259469482.db2.gz FNKZNUZHYHQJJF-CYBMUJFWSA-N 2 0 225.380 1.355 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCC[C@H](F)C1 ZINC000578193619 366379311 /nfs/dbraw/zinc/37/93/11/366379311.db2.gz IRUWKYMBHVQAKB-XWLWVQCSSA-N 2 0 202.317 1.983 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+]C2CCOCC2)CC1(C)C ZINC000623363517 356813214 /nfs/dbraw/zinc/81/32/14/356813214.db2.gz ZMOJVRLSYJXPLC-GFCCVEGCSA-N 2 0 226.364 1.628 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+]C2CCC(C[NH3+])CC2)[C@H](C)O1 ZINC000423176925 192610810 /nfs/dbraw/zinc/61/08/10/192610810.db2.gz GPKQJKYXUCUEGB-NFMDPKQHSA-N 2 0 240.391 1.907 20 0 BDADRP COCC[C@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623392676 356985876 /nfs/dbraw/zinc/98/58/76/356985876.db2.gz MBSGZIKGXHNCSV-RYUDHWBXSA-N 2 0 228.380 1.874 20 0 BDADRP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000423201088 192624757 /nfs/dbraw/zinc/62/47/57/192624757.db2.gz HIYGFEQOYIFCQX-CHWSQXEVSA-N 2 0 239.407 1.306 20 0 BDADRP C[NH2+]CCCN[C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423202542 192625916 /nfs/dbraw/zinc/62/59/16/192625916.db2.gz QYTXJRBTRWSXLG-GXTWGEPZSA-N 2 0 235.375 1.144 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)[C@H]1C ZINC000389614526 357003117 /nfs/dbraw/zinc/00/31/17/357003117.db2.gz FYIKYOYKFABFGN-XQHKEYJVSA-N 2 0 210.365 1.962 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423260846 192655824 /nfs/dbraw/zinc/65/58/24/192655824.db2.gz QXKGAHGLEYXNHJ-UTUOFQBUSA-N 2 0 214.353 1.389 20 0 BDADRP CC(C)C[C@H](C[NH3+])N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000423269607 192662946 /nfs/dbraw/zinc/66/29/46/192662946.db2.gz VXIJHSVNEMPMBT-RWMBFGLXSA-N 2 0 227.396 1.432 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423282262 192675033 /nfs/dbraw/zinc/67/50/33/192675033.db2.gz VRNQCYXQEQWGOZ-IJLUTSLNSA-N 2 0 213.369 1.090 20 0 BDADRP COC[C@H](C)C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000628425899 357254098 /nfs/dbraw/zinc/25/40/98/357254098.db2.gz YUJPEQMTQKBTEY-OLZOCXBDSA-N 2 0 228.380 1.590 20 0 BDADRP CC(C)(CO)CCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000393434826 357309087 /nfs/dbraw/zinc/30/90/87/357309087.db2.gz WLXZWDSRDQKEQU-NWDGAFQWSA-N 2 0 228.380 1.645 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCC1(CO)CC1 ZINC000582719680 357370410 /nfs/dbraw/zinc/37/04/10/357370410.db2.gz BXMZKBAOAWZOJX-RYUDHWBXSA-N 2 0 226.364 1.399 20 0 BDADRP COc1ncccc1CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000582735002 357376746 /nfs/dbraw/zinc/37/67/46/357376746.db2.gz ALJBGTCSRPZNKO-OLZOCXBDSA-N 2 0 249.358 1.492 20 0 BDADRP CCC([NH3+])(CC)CN[C@@H](C)C[C@@H](C)[NH3+] ZINC000423294323 192683361 /nfs/dbraw/zinc/68/33/61/192683361.db2.gz UAJXFWMZJOOSPA-ZJUUUORDSA-N 2 0 201.358 1.219 20 0 BDADRP CC[C@@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623408021 357403784 /nfs/dbraw/zinc/40/37/84/357403784.db2.gz DWDCMWMRTZJEHA-DGCLKSJQSA-N 2 0 228.380 1.610 20 0 BDADRP O[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000582887325 357430866 /nfs/dbraw/zinc/43/08/66/357430866.db2.gz PYVATDLELQHSRF-ZIAGYGMSSA-N 2 0 238.375 1.364 20 0 BDADRP CC(C)C[C@H]([NH3+])c1noc(CCCC[NH3+])n1 ZINC000582963959 357440278 /nfs/dbraw/zinc/44/02/78/357440278.db2.gz DAZOVPMKWWDVOJ-VIFPVBQESA-N 2 0 226.324 1.397 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000583085596 357475186 /nfs/dbraw/zinc/47/51/86/357475186.db2.gz IYTACWBCYNUJKQ-ZPFDUUQYSA-N 2 0 241.379 1.136 20 0 BDADRP CCC(CC)[C@@H](O)C[NH2+]CC1CC[NH2+]CC1 ZINC000230483426 357525359 /nfs/dbraw/zinc/52/53/59/357525359.db2.gz HOLKKWNGNCVENW-ZDUSSCGKSA-N 2 0 228.380 1.373 20 0 BDADRP Cc1nccn1CC[NH2+][C@@H](CCO)C(C)(C)C ZINC000230891850 357576713 /nfs/dbraw/zinc/57/67/13/357576713.db2.gz ZOBBQSOGYPAUPD-LBPRGKRZSA-N 2 0 239.363 1.578 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)O)CC1(C)C ZINC000623412364 357585583 /nfs/dbraw/zinc/58/55/83/357585583.db2.gz GAWRDSODIBQJHP-JTQLQIEISA-N 2 0 214.353 1.220 20 0 BDADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccoc1 ZINC000397624197 357616652 /nfs/dbraw/zinc/61/66/52/357616652.db2.gz XGOVGAZHYYMBHM-LLVKDONJSA-N 2 0 238.331 1.387 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CC2=CCOCC2)C1 ZINC000397770350 357695260 /nfs/dbraw/zinc/69/52/60/357695260.db2.gz PMOLLADKDSNERR-RYUDHWBXSA-N 2 0 210.321 1.193 20 0 BDADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)[C@H]1CCC[NH2+]C1 ZINC000583263199 357739160 /nfs/dbraw/zinc/73/91/60/357739160.db2.gz OGMCMQMMJZGUKN-WFASDCNBSA-N 3 0 247.386 1.623 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@](C)(O)C2CC2)CC1(C)C ZINC000623415535 357763966 /nfs/dbraw/zinc/76/39/66/357763966.db2.gz OJUQDARWLQYNLL-JSGCOSHPSA-N 2 0 240.391 1.610 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CC=CCC1 ZINC000234727689 357820973 /nfs/dbraw/zinc/82/09/73/357820973.db2.gz YWKDTOYBZJOHQX-CHWSQXEVSA-N 2 0 226.364 1.686 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]1C(C)(C)O ZINC000191590395 357786660 /nfs/dbraw/zinc/78/66/60/357786660.db2.gz AVOYZGXFTOFBHX-ZDUSSCGKSA-N 2 0 242.407 1.954 20 0 BDADRP Cc1c[nH+]ccc1NC[C@@H](O)C[NH+]1CCCCC1 ZINC000192496334 357835697 /nfs/dbraw/zinc/83/56/97/357835697.db2.gz HPHGGOCFWZKMCI-CYBMUJFWSA-N 2 0 249.358 1.649 20 0 BDADRP COC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCC1 ZINC000193274452 357872399 /nfs/dbraw/zinc/87/23/99/357872399.db2.gz QFBGMFRFNQMNNY-YHWZYXNKSA-N 2 0 238.375 1.770 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1csnn1 ZINC000398221592 357876864 /nfs/dbraw/zinc/87/68/64/357876864.db2.gz CPOVGWNVRFESRC-QMMMGPOBSA-N 2 0 226.349 1.188 20 0 BDADRP C[NH2+][C@@H](C)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000584665074 358123078 /nfs/dbraw/zinc/12/30/78/358123078.db2.gz ZIRVDIGFAFMWMO-VIFPVBQESA-N 2 0 221.304 1.000 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623421193 358165856 /nfs/dbraw/zinc/16/58/56/358165856.db2.gz BEEAECBAEGOJHZ-NWDGAFQWSA-N 2 0 228.380 1.466 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CCCCO2)C1 ZINC000223720521 358230533 /nfs/dbraw/zinc/23/05/33/358230533.db2.gz RDHFROIBRZUQTD-UPJWGTAASA-N 2 0 226.364 1.805 20 0 BDADRP C[C@H](CO)[C@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000450738124 202250863 /nfs/dbraw/zinc/25/08/63/202250863.db2.gz LYBLVGGSFFORLA-OLZOCXBDSA-N 2 0 228.380 1.469 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000226343864 358337728 /nfs/dbraw/zinc/33/77/28/358337728.db2.gz FSUPZLPYGARFEX-CHWSQXEVSA-N 2 0 239.407 1.578 20 0 BDADRP CCCCOCC[NH+]1CCC(CC[NH3+])CC1 ZINC000042427810 358348940 /nfs/dbraw/zinc/34/89/40/358348940.db2.gz PYPGUZHNCQMBRI-UHFFFAOYSA-N 2 0 228.380 1.864 20 0 BDADRP CC[NH+]1CCC(C[NH2+]Cc2cc[nH]n2)CC1 ZINC000044517737 358388967 /nfs/dbraw/zinc/38/89/67/358388967.db2.gz DAQDBLMPUIHWCR-UHFFFAOYSA-N 2 0 222.336 1.231 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@H]2O)CC1 ZINC000044518457 358389832 /nfs/dbraw/zinc/38/98/32/358389832.db2.gz VJPMVSCZHCXMEJ-ZIAGYGMSSA-N 2 0 240.391 1.611 20 0 BDADRP CCC(CC)(CO)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000230209545 358396260 /nfs/dbraw/zinc/39/62/60/358396260.db2.gz DLYYIGLMBAYDTF-VXGBXAGGSA-N 2 0 228.380 1.645 20 0 BDADRP CCN(CCC[NH+](CC)CC)C(=O)[C@H](C)[NH2+]C ZINC000230712848 358411032 /nfs/dbraw/zinc/41/10/32/358411032.db2.gz QDIKKKGITLWXIB-LBPRGKRZSA-N 2 0 243.395 1.175 20 0 BDADRP C[C@@H](CCO)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623426387 358397494 /nfs/dbraw/zinc/39/74/94/358397494.db2.gz LYFIUDHTDPBMDX-WDEREUQCSA-N 2 0 214.353 1.220 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@@H]1CCCOC1 ZINC000044982060 358398658 /nfs/dbraw/zinc/39/86/58/358398658.db2.gz JKKMCGOAWBBARK-WOPDTQHZSA-N 2 0 212.337 1.225 20 0 BDADRP CC(C)CCOCC[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000045107845 358401623 /nfs/dbraw/zinc/40/16/23/358401623.db2.gz KXKMGNGGPUYMPE-STQMWFEESA-N 2 0 228.380 1.861 20 0 BDADRP CC[C@@H](CCO)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623428301 358445288 /nfs/dbraw/zinc/44/52/88/358445288.db2.gz FVJHOTUNGVTRIF-RYUDHWBXSA-N 2 0 228.380 1.610 20 0 BDADRP CC[C@H](COC)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623426873 358430507 /nfs/dbraw/zinc/43/05/07/358430507.db2.gz BXVNPNOZQOHANX-NEPJUHHUSA-N 2 0 228.380 1.874 20 0 BDADRP CCC[C@H](CC)[NH2+]CCOCC[NH+](C)C ZINC000219317492 134281457 /nfs/dbraw/zinc/28/14/57/134281457.db2.gz SFULKBVCUFBQPJ-LBPRGKRZSA-N 2 0 216.369 1.733 20 0 BDADRP CC[C@H](C)[C@H](C)[NH2+]CCOCC[NH+](C)C ZINC000219313153 134281607 /nfs/dbraw/zinc/28/16/07/134281607.db2.gz CFHIWTXPNYNICR-RYUDHWBXSA-N 2 0 216.369 1.589 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCc2ccco2)CC[N@@H+]1C ZINC000129668690 358592266 /nfs/dbraw/zinc/59/22/66/358592266.db2.gz OAWUAXKSRJLLKG-NEPJUHHUSA-N 2 0 222.332 1.894 20 0 BDADRP CC(C)(C)CC[NH+]1CCN(CCC[NH3+])CC1 ZINC000049254377 358678532 /nfs/dbraw/zinc/67/85/32/358678532.db2.gz UWDNMJPABFSIEI-UHFFFAOYSA-N 2 0 227.396 1.389 20 0 BDADRP C[C@@]1(C(=O)Nc2ccc(C[NH3+])cc2)CC[NH2+]C1 ZINC000131739535 358691968 /nfs/dbraw/zinc/69/19/68/358691968.db2.gz SSGDEGXTANVIHG-CYBMUJFWSA-N 2 0 233.315 1.083 20 0 BDADRP C[NH2+]CC1CC[NH+](CCOCCC(C)C)CC1 ZINC000051756257 358761397 /nfs/dbraw/zinc/76/13/97/358761397.db2.gz JFVQVAWUDQKKTG-UHFFFAOYSA-N 2 0 242.407 1.981 20 0 BDADRP CCOC[C@H](C)[NH2+][C@H]1CCN2CCCC[C@H]12 ZINC000132403527 358722076 /nfs/dbraw/zinc/72/20/76/358722076.db2.gz UKNTWFIVPHQNNZ-RWMBFGLXSA-N 2 0 226.364 1.628 20 0 BDADRP COCC[C@@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000081706949 491136206 /nfs/dbraw/zinc/13/62/06/491136206.db2.gz DVQNKOVGBURHRM-NEPJUHHUSA-N 2 0 228.380 1.731 20 0 BDADRP CC[C@H](O)CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000135029212 358816921 /nfs/dbraw/zinc/81/69/21/358816921.db2.gz FRZJISKFOJKXEV-FQUUOJAGSA-N 2 0 240.391 1.658 20 0 BDADRP CC(C)[N@H+](C)CCN[C@H]1C[C@@H](C)[NH+](C)C[C@H]1C ZINC000054111218 358853082 /nfs/dbraw/zinc/85/30/82/358853082.db2.gz IXZLIABVPNXCAQ-MCIONIFRSA-N 2 0 241.423 1.645 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000086403877 358968592 /nfs/dbraw/zinc/96/85/92/358968592.db2.gz FAUSWNJMBSFIQZ-NWDGAFQWSA-N 3 0 213.369 1.188 20 0 BDADRP C[C@H]([N@H+](C)CCOCC[NH3+])C(C)(C)C ZINC000086435561 358976826 /nfs/dbraw/zinc/97/68/26/358976826.db2.gz LZMFFNNFWSKKFN-JTQLQIEISA-N 2 0 202.342 1.328 20 0 BDADRP C[C@@H](C[NH2+][C@@H](C)C1CC1)CN1CC[NH+](C)CC1 ZINC000177294179 134299377 /nfs/dbraw/zinc/29/93/77/134299377.db2.gz VCTICPWSKPFMSZ-STQMWFEESA-N 2 0 239.407 1.258 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCSC2)CC1(C)C ZINC000623432733 358946112 /nfs/dbraw/zinc/94/61/12/358946112.db2.gz HZPDDPQXSUUNPD-QWRGUYRKSA-N 2 0 228.405 1.954 20 0 BDADRP C[N@H+](CCCCCO)CC[C@H]1CCCC[NH+]1C ZINC000075860192 359229745 /nfs/dbraw/zinc/22/97/45/359229745.db2.gz KTDJOSAPPJJLEP-CQSZACIVSA-N 2 0 242.407 1.955 20 0 BDADRP CCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423419131 192750233 /nfs/dbraw/zinc/75/02/33/192750233.db2.gz AMYSJGNBGQEGNH-BNDIWNMDSA-N 2 0 208.349 1.763 20 0 BDADRP C[C@@H](CCCO)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623444948 359338310 /nfs/dbraw/zinc/33/83/10/359338310.db2.gz XRBDBLGTIBIIKP-RYUDHWBXSA-N 2 0 228.380 1.610 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCO[C@H](C3CC3)C2)C1 ZINC000580465332 359570240 /nfs/dbraw/zinc/57/02/40/359570240.db2.gz FANCYJCFSJRYQW-RQJABVFESA-N 2 0 238.375 1.804 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCO[C@@H](C3CC3)C2)C1 ZINC000580465333 359570394 /nfs/dbraw/zinc/57/03/94/359570394.db2.gz FANCYJCFSJRYQW-XJFOESAGSA-N 2 0 238.375 1.804 20 0 BDADRP CC1=CC[C@@H]([NH2+]CCN2CC[C@H](O)C2)CC1 ZINC000628498276 359709351 /nfs/dbraw/zinc/70/93/51/359709351.db2.gz KGVRVYQGCBEORZ-OLZOCXBDSA-N 2 0 224.348 1.141 20 0 BDADRP C[N@H+](CCCn1ccnc1)CC[C@@H]1CC[NH2+]C1 ZINC000578514920 366585935 /nfs/dbraw/zinc/58/59/35/366585935.db2.gz CPMSCENXNJBPLH-ZDUSSCGKSA-N 2 0 236.363 1.205 20 0 BDADRP Cc1ccsc1C[NH2+]C1CC[NH2+]CC1 ZINC000087308620 359906542 /nfs/dbraw/zinc/90/65/42/359906542.db2.gz NMHRLUAJAPKGCT-UHFFFAOYSA-N 2 0 210.346 1.898 20 0 BDADRP OC1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000090799961 360088986 /nfs/dbraw/zinc/08/89/86/360088986.db2.gz YKQGSUPOBNAGAZ-CEUNDQEZSA-N 2 0 238.375 1.506 20 0 BDADRP Cn1nccc1CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000092043501 360147596 /nfs/dbraw/zinc/14/75/96/360147596.db2.gz HVAOTPJOSSPAMR-OCCSQVGLSA-N 2 0 248.374 1.336 20 0 BDADRP CC[C@@H](C)C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000093074870 360214956 /nfs/dbraw/zinc/21/49/56/360214956.db2.gz DVXYWQZCEJVORA-ZIAGYGMSSA-N 2 0 242.407 1.859 20 0 BDADRP Cn1nccc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000093089149 360216978 /nfs/dbraw/zinc/21/69/78/360216978.db2.gz VGZXYIIDESAMPA-UHFFFAOYSA-N 2 0 236.363 1.194 20 0 BDADRP Cc1c(C[NH2+]CC2CC[NH+](C)CC2)cnn1C ZINC000093650193 360268193 /nfs/dbraw/zinc/26/81/93/360268193.db2.gz KQLKCVMCAUHXFA-UHFFFAOYSA-N 2 0 236.363 1.160 20 0 BDADRP CC1(C)C[C@H]([NH2+]CCn2ccnc2)C(C)(C)O1 ZINC000094424103 360307380 /nfs/dbraw/zinc/30/73/80/360307380.db2.gz ZVCQAYFVMJGWRE-NSHDSACASA-N 2 0 237.347 1.819 20 0 BDADRP CC(C)[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000098143681 360389478 /nfs/dbraw/zinc/38/94/78/360389478.db2.gz UOVGQEOUUKKNIX-KGLIPLIRSA-N 2 0 242.407 1.713 20 0 BDADRP CC(C)OC1CC([NH2+][C@@H]2CCCN(C)C2)C1 ZINC000309586693 491150845 /nfs/dbraw/zinc/15/08/45/491150845.db2.gz RZNAQZWZIGDVBR-PNESKVBLSA-N 2 0 226.364 1.626 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](CO)C2)CC1(C)C ZINC000631197356 360710999 /nfs/dbraw/zinc/71/09/99/360710999.db2.gz BEIXTJKOEUUDLF-UTUOFQBUSA-N 2 0 226.364 1.220 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414674930 219881652 /nfs/dbraw/zinc/88/16/52/219881652.db2.gz QEOMMTFJXBHUJS-FRRDWIJNSA-N 3 0 239.407 1.434 20 0 BDADRP [NH3+]CC1CCC([NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000414994868 200788104 /nfs/dbraw/zinc/78/81/04/200788104.db2.gz DWNHRBYHCLLUCW-DKNRTOFZSA-N 3 0 239.407 1.611 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]Cc1cccc(OC(F)F)c1 ZINC000414882363 200774675 /nfs/dbraw/zinc/77/46/75/200774675.db2.gz UDNUJDUTOIJZBL-VIFPVBQESA-N 2 0 244.285 1.972 20 0 BDADRP C[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)C[C@H](C)S1 ZINC000069908611 361013955 /nfs/dbraw/zinc/01/39/55/361013955.db2.gz SSCOMXVEGUVBQE-OUAUKWLOSA-N 2 0 214.378 1.422 20 0 BDADRP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@H](C)S1 ZINC000069908580 361014357 /nfs/dbraw/zinc/01/43/57/361014357.db2.gz AKASGQVVQZAYQW-PHIMTYICSA-N 2 0 228.405 1.812 20 0 BDADRP C[C@@H]1CCCC[C@@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629388733 361035746 /nfs/dbraw/zinc/03/57/46/361035746.db2.gz WMZBNGQWFOQCQS-NEPJUHHUSA-N 2 0 226.364 1.663 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000629389843 361036254 /nfs/dbraw/zinc/03/62/54/361036254.db2.gz BVDLSOAUGIDSEZ-WISYIIOYSA-N 2 0 212.337 1.284 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCCOCC1 ZINC000629389268 361036681 /nfs/dbraw/zinc/03/66/81/361036681.db2.gz UBVQOGDNFJFCPP-SDDRHHMPSA-N 2 0 212.337 1.286 20 0 BDADRP CC1(C)CCC[C@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629387357 361038750 /nfs/dbraw/zinc/03/87/50/361038750.db2.gz FMINKWATETVXEC-LLVKDONJSA-N 2 0 226.364 1.663 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000629387527 361038845 /nfs/dbraw/zinc/03/88/45/361038845.db2.gz FADUVFGJIRCESI-AUZPSNTRSA-N 2 0 237.391 1.342 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C1CCSCC1 ZINC000629390610 361044885 /nfs/dbraw/zinc/04/48/85/361044885.db2.gz JETGBYVLARHMMK-WDEREUQCSA-N 2 0 214.378 1.612 20 0 BDADRP CCc1ccc(C[NH2+]CCOCCC[NH3+])s1 ZINC000629398876 361045929 /nfs/dbraw/zinc/04/59/29/361045929.db2.gz INWLODQTRCSPJE-UHFFFAOYSA-N 2 0 242.388 1.766 20 0 BDADRP [NH3+]CCCOCC[NH2+]Cc1ccc(F)cc1F ZINC000629398110 361048094 /nfs/dbraw/zinc/04/80/94/361048094.db2.gz MNYPUFGHNDMRQW-UHFFFAOYSA-N 2 0 244.285 1.420 20 0 BDADRP [NH3+]CCCOCC[NH2+]Cc1ccccc1F ZINC000629398571 361049040 /nfs/dbraw/zinc/04/90/40/361049040.db2.gz VFFDMXWQUYJICY-UHFFFAOYSA-N 2 0 226.295 1.281 20 0 BDADRP Cc1ccc(C[NH2+]CCOCCC[NH3+])cc1 ZINC000629398366 361049478 /nfs/dbraw/zinc/04/94/78/361049478.db2.gz RTWGCHSYIJCOHZ-UHFFFAOYSA-N 2 0 222.332 1.450 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000629404128 361049853 /nfs/dbraw/zinc/04/98/53/361049853.db2.gz KALIBZZBMZGTPC-ZIAGYGMSSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@@H]1CCC[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629399503 361051039 /nfs/dbraw/zinc/05/10/39/361051039.db2.gz SKNWREXRWUXZEC-MNOVXSKESA-N 2 0 200.326 1.130 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000629404852 361054926 /nfs/dbraw/zinc/05/49/26/361054926.db2.gz RNDSNWZLZCOZIQ-JHJVBQTASA-N 2 0 228.380 1.637 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629410581 361060739 /nfs/dbraw/zinc/06/07/39/361060739.db2.gz HBWHGHPAIILXEY-NRWUCQMLSA-N 2 0 237.391 1.199 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN[C@@H]1CC[NH2+]CC1(C)C ZINC000414969110 219885275 /nfs/dbraw/zinc/88/52/75/219885275.db2.gz ITAYNOJWKMSYOQ-VXGBXAGGSA-N 2 0 227.396 1.338 20 0 BDADRP C1CC2(C1)[NH2+]CC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000629512104 361105919 /nfs/dbraw/zinc/10/59/19/361105919.db2.gz ALCOHNMKHTXNPE-FQUUOJAGSA-N 2 0 249.402 1.249 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000629512304 361107550 /nfs/dbraw/zinc/10/75/50/361107550.db2.gz CRHBWPWWLQCXIE-NEPJUHHUSA-N 3 0 225.380 1.378 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCCN(Cc2cccnc2N)C1 ZINC000629510434 361108379 /nfs/dbraw/zinc/10/83/79/361108379.db2.gz UEUMJKRISWOYFG-WDEREUQCSA-N 2 0 234.347 1.223 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CC[C@@H]1CCCOC1 ZINC000629510938 361109758 /nfs/dbraw/zinc/10/97/58/361109758.db2.gz YCDNRPUZTNCHLK-STQMWFEESA-N 2 0 228.380 1.910 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CC1CC=CC1 ZINC000629515998 361110257 /nfs/dbraw/zinc/11/02/57/361110257.db2.gz YVGMJERBQHKTOS-LBPRGKRZSA-N 2 0 212.337 1.296 20 0 BDADRP CCO[C@H](C[NH+]1CCC([C@H](C)[NH3+])CC1)C1CC1 ZINC000629514371 361110661 /nfs/dbraw/zinc/11/06/61/361110661.db2.gz XWLDLIAMZUDUNI-SMDDNHRTSA-N 2 0 240.391 1.861 20 0 BDADRP CCO[C@@H](C[N@H+](C)CCC[NH3+])C1CC1 ZINC000629515425 361114388 /nfs/dbraw/zinc/11/43/88/361114388.db2.gz SHIUYQKHVAYUOW-NSHDSACASA-N 2 0 200.326 1.082 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+]CC2([NH3+])CCOCC2)C1 ZINC000629520389 361115103 /nfs/dbraw/zinc/11/51/03/361115103.db2.gz KXMWFUUZMULJMJ-VXGBXAGGSA-N 2 0 242.363 1.042 20 0 BDADRP CC[C@H]1CN(Cc2cccnc2N)CC[C@H]1[NH3+] ZINC000629527740 361134323 /nfs/dbraw/zinc/13/43/23/361134323.db2.gz DMIOGUYHPYTSIX-CMPLNLGQSA-N 2 0 234.347 1.223 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc(C)s1 ZINC000629528622 361136529 /nfs/dbraw/zinc/13/65/29/361136529.db2.gz FILYXRFKEUARGW-LLVKDONJSA-N 2 0 242.388 1.943 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(CO)CC2)[C@@H](C)C1 ZINC000224420218 491154733 /nfs/dbraw/zinc/15/47/33/491154733.db2.gz LYZUVCCXMGRCLI-RYUDHWBXSA-N 2 0 226.364 1.079 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H]1CCc2c1cccc2C ZINC000629528991 361138072 /nfs/dbraw/zinc/13/80/72/361138072.db2.gz OPDFXPMBZZFGJO-HNNXBMFYSA-N 2 0 248.370 1.808 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000629528944 361138359 /nfs/dbraw/zinc/13/83/59/361138359.db2.gz NRIRSEZITOPILR-IFWUJCSASA-N 3 0 225.380 1.234 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CCCc2cccnc21 ZINC000629530537 361144372 /nfs/dbraw/zinc/14/43/72/361144372.db2.gz JKJKBRMWDYCTNZ-CYBMUJFWSA-N 2 0 249.358 1.285 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H]1CCC[C@@H]1CCOC ZINC000629530332 361144404 /nfs/dbraw/zinc/14/44/04/361144404.db2.gz CUHDDTULMSXXKS-OLZOCXBDSA-N 2 0 244.379 1.017 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000629530723 361145676 /nfs/dbraw/zinc/14/56/76/361145676.db2.gz PBELITOBPHWGGJ-RYUDHWBXSA-N 2 0 228.380 1.637 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000629530973 361145832 /nfs/dbraw/zinc/14/58/32/361145832.db2.gz WHHZGGXIWXGTFP-VXGBXAGGSA-N 2 0 228.380 1.637 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1CC)[C@H]1CCOC1 ZINC000629526220 361127681 /nfs/dbraw/zinc/12/76/81/361127681.db2.gz NOIOIADRZVUWIX-ZDEQEGDKSA-N 2 0 226.364 1.532 20 0 BDADRP CCC(CC)[C@H](CNC1=[NH+]CCCN1)[NH+](C)C ZINC000066245170 361169823 /nfs/dbraw/zinc/16/98/23/361169823.db2.gz IAXIHGSAOLYLJD-LBPRGKRZSA-N 2 0 240.395 1.292 20 0 BDADRP CCSCC[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000158573051 361204181 /nfs/dbraw/zinc/20/41/81/361204181.db2.gz XBASXAHPQIWQKD-SNVBAGLBSA-N 2 0 202.367 1.281 20 0 BDADRP COC(=O)CC1([NH2+]C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000578991624 366688905 /nfs/dbraw/zinc/68/89/05/366688905.db2.gz JRMUWAJNEYUZLZ-MNOVXSKESA-N 2 0 240.347 1.060 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)C[C@@H]2CCC[NH2+]2)c1 ZINC000428296036 201005794 /nfs/dbraw/zinc/00/57/94/201005794.db2.gz VETDUEMSKUTNES-LBPRGKRZSA-N 2 0 247.342 1.487 20 0 BDADRP C[N@H+](CCCO)CCCC[NH+]1CCCCC1 ZINC000640530905 361301626 /nfs/dbraw/zinc/30/16/26/361301626.db2.gz IABKSASNLRZAII-UHFFFAOYSA-N 2 0 228.380 1.567 20 0 BDADRP CC[NH2+]CCCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000579225185 366728845 /nfs/dbraw/zinc/72/88/45/366728845.db2.gz TZSSQWRYOQYNPE-VXGBXAGGSA-N 2 0 213.369 1.236 20 0 BDADRP Cc1cc(C[NH+]2CCC(C[NH+](C)C)CC2)ncn1 ZINC000428464478 201021884 /nfs/dbraw/zinc/02/18/84/201021884.db2.gz UHMMSHNMPADAQE-UHFFFAOYSA-N 2 0 248.374 1.559 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1CC(C)C1 ZINC000622044546 370676674 /nfs/dbraw/zinc/67/66/74/370676674.db2.gz KAEXDAKXVBWLPA-ZWMSFMBMSA-N 2 0 226.364 1.374 20 0 BDADRP CC(C)[C@H]1C[C@@H]([NH2+]CC[C@H](C)[NH3+])CCO1 ZINC000622045146 370678337 /nfs/dbraw/zinc/67/83/37/370678337.db2.gz DCGZYSXKMWIVIO-SDDRHHMPSA-N 2 0 214.353 1.517 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000622045783 370679643 /nfs/dbraw/zinc/67/96/43/370679643.db2.gz YIWCPIIDKJOMCD-QWRGUYRKSA-N 3 0 213.369 1.044 20 0 BDADRP CC[N@@H+]1CC[C@@H](NCC[C@H](C)[NH3+])[C@@H](C)C1 ZINC000622045684 370680313 /nfs/dbraw/zinc/68/03/13/370680313.db2.gz OFNKNZHENGEGKZ-SDDRHHMPSA-N 2 0 213.369 1.044 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCCC(C)(C)CO)CC[N@@H+]1C ZINC000163169966 361388598 /nfs/dbraw/zinc/38/85/98/361388598.db2.gz GKKKQOSVWMMGMN-QWHCGFSZSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@H]1C[C@@H](O)CC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000429169991 201076746 /nfs/dbraw/zinc/07/67/46/201076746.db2.gz VYYGIJIFEWIBHJ-XQQFMLRXSA-N 2 0 226.364 1.316 20 0 BDADRP Cc1ncc([C@H](C)[NH2+]CCOCCC[NH3+])s1 ZINC000629536973 361399831 /nfs/dbraw/zinc/39/98/31/361399831.db2.gz ISPJZXBVAVIBNK-VIFPVBQESA-N 2 0 243.376 1.468 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000579354354 366768222 /nfs/dbraw/zinc/76/82/22/366768222.db2.gz VMVXHFWXAAPOGD-MNOVXSKESA-N 2 0 238.379 1.854 20 0 BDADRP CC[C@@H]1CCCC[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629539591 361407580 /nfs/dbraw/zinc/40/75/80/361407580.db2.gz QKBKPZQWAKPWOK-CHWSQXEVSA-N 2 0 228.380 1.910 20 0 BDADRP C[C@@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)c1c[nH+]ccc1N ZINC000629539572 361407602 /nfs/dbraw/zinc/40/76/02/361407602.db2.gz NAVRVXKDFOKGFI-GMTAPVOTSA-N 2 0 234.347 1.285 20 0 BDADRP COCC[C@H]1CCC[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629534891 361408466 /nfs/dbraw/zinc/40/84/66/361408466.db2.gz AYPSBOURKPZOCJ-OLZOCXBDSA-N 2 0 244.379 1.147 20 0 BDADRP CN(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(F)F ZINC000629556188 361449318 /nfs/dbraw/zinc/44/93/18/361449318.db2.gz MXDQADSIQRQNPZ-ZACCUICWSA-N 2 0 247.333 1.056 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000629555011 361436783 /nfs/dbraw/zinc/43/67/83/361436783.db2.gz PXRYQQCFCFMZGX-RVMXOQNASA-N 2 0 226.364 1.519 20 0 BDADRP C[C@@H]1C[NH+](C[C@H]2CC[NH2+]C2)C[C@@H](C)C1(F)F ZINC000629553722 361439851 /nfs/dbraw/zinc/43/98/51/361439851.db2.gz XFEAQJNZPUDREV-MXWKQRLJSA-N 2 0 232.318 1.819 20 0 BDADRP C[C@@H]1C[NH+](C[C@@H]2CC[NH2+]C2)C[C@@H](C)C1(F)F ZINC000629553721 361439985 /nfs/dbraw/zinc/43/99/85/361439985.db2.gz XFEAQJNZPUDREV-GMTAPVOTSA-N 2 0 232.318 1.819 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000629549549 361441492 /nfs/dbraw/zinc/44/14/92/361441492.db2.gz RYALJJLFKUZFAF-AKUTZHFWSA-N 2 0 238.375 1.661 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000629550055 361443307 /nfs/dbraw/zinc/44/33/07/361443307.db2.gz XIDUDZQARNAHAI-GAIPPQHRSA-N 2 0 212.337 1.269 20 0 BDADRP C[C@H](O)CC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000082992997 491158172 /nfs/dbraw/zinc/15/81/72/491158172.db2.gz CNWPGQWOMQWXEA-QWRGUYRKSA-N 2 0 214.353 1.077 20 0 BDADRP CN(CC[NH2+][C@H]1CCCC[C@@H]1C[NH3+])CC(F)F ZINC000629556773 361445420 /nfs/dbraw/zinc/44/54/20/361445420.db2.gz YLXRRIYRHZALLA-MNOVXSKESA-N 2 0 249.349 1.290 20 0 BDADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629542201 361418525 /nfs/dbraw/zinc/41/85/25/361418525.db2.gz WPNGVMWMSLMKLL-IUODEOHRSA-N 2 0 248.370 1.875 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)Cc1ccc(F)cc1 ZINC000629567315 361458282 /nfs/dbraw/zinc/45/82/82/361458282.db2.gz JYTLQSOFXBJWFD-UHFFFAOYSA-N 2 0 240.322 1.494 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)[C@@H](C)c1cccnc1 ZINC000629570837 361460711 /nfs/dbraw/zinc/46/07/11/361460711.db2.gz NNSSNOQFTPSJMF-LBPRGKRZSA-N 2 0 237.347 1.310 20 0 BDADRP CCCCC[N@H+](C)CCOCC[NH2+]C ZINC000629568195 361460781 /nfs/dbraw/zinc/46/07/81/361460781.db2.gz NXZYSCFUYVUVOK-UHFFFAOYSA-N 2 0 202.342 1.344 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)C[C@H]1CCCC[C@@H]1C ZINC000629572330 361463980 /nfs/dbraw/zinc/46/39/80/361463980.db2.gz QLRWXVJIQGVWIL-UONOGXRCSA-N 2 0 242.407 1.981 20 0 BDADRP CCC(C)(C)CC[N@H+](C)CCOCC[NH3+] ZINC000629579880 361466014 /nfs/dbraw/zinc/46/60/14/361466014.db2.gz XDDGCSMBKGXIRA-UHFFFAOYSA-N 2 0 216.369 1.720 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1NCc1ccc2c(c1)C[NH2+]CC2 ZINC000629588888 361478829 /nfs/dbraw/zinc/47/88/29/361478829.db2.gz NAMMDBJUVYVHPP-XHDPSFHLSA-N 2 0 245.370 1.172 20 0 BDADRP C/C=C\C[C@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000629595553 361482010 /nfs/dbraw/zinc/48/20/10/361482010.db2.gz SCWMEBMKVUNXFC-ZRMMWKCHSA-N 2 0 226.364 1.640 20 0 BDADRP [NH3+]Cc1cccc2c1N(C[C@H]1CC[NH2+]C1)CCC2 ZINC000629558307 361452686 /nfs/dbraw/zinc/45/26/86/361452686.db2.gz FOMVTMPRLVGJGY-LBPRGKRZSA-N 2 0 245.370 1.507 20 0 BDADRP C[N@H+](C[C@H]1CCC[NH+](C)C1)C[C@@H]1CCCCO1 ZINC000152359527 201196455 /nfs/dbraw/zinc/19/64/55/201196455.db2.gz BDVHJRWKFSPLOB-KBPBESRZSA-N 2 0 240.391 1.829 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1NC[C@H]([NH3+])CC(C)C ZINC000629654886 361558006 /nfs/dbraw/zinc/55/80/06/361558006.db2.gz UBBMRLCNBGEGHL-GRYCIOLGSA-N 2 0 213.369 1.090 20 0 BDADRP Cn1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000629654419 361558501 /nfs/dbraw/zinc/55/85/01/361558501.db2.gz OELPUNAZHDUOEH-HNNXBMFYSA-N 2 0 247.386 1.847 20 0 BDADRP CS[C@@H]1CC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000448545871 201198747 /nfs/dbraw/zinc/19/87/47/201198747.db2.gz NWQWRBHOJPNUGX-VXGBXAGGSA-N 2 0 228.405 1.908 20 0 BDADRP CC(C)C[C@@H](C)C[NH2+]CC1([NH3+])CCOCC1 ZINC000629655229 361559959 /nfs/dbraw/zinc/55/99/59/361559959.db2.gz UMKVBVVHSWFZHJ-GFCCVEGCSA-N 2 0 228.380 1.766 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C[C@H]1CCSC1 ZINC000629655519 361560099 /nfs/dbraw/zinc/56/00/99/361560099.db2.gz YOKDAOWCICUWJA-OUAUKWLOSA-N 2 0 214.378 1.470 20 0 BDADRP C[C@@H]([N@H+](C)CC[C@@H]1CCC[NH+]1C)C(C)(C)O ZINC000448546765 201202323 /nfs/dbraw/zinc/20/23/23/201202323.db2.gz MFMPEHSLLNKQFI-NEPJUHHUSA-N 2 0 228.380 1.562 20 0 BDADRP C[C@H]1CC[C@H](NCC[NH2+]C(C)(C)C)C[NH2+]1 ZINC000629659977 361564764 /nfs/dbraw/zinc/56/47/64/361564764.db2.gz KXVCNGLDKCZZJM-QWRGUYRKSA-N 2 0 213.369 1.105 20 0 BDADRP Cc1cnccc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000629649269 361544420 /nfs/dbraw/zinc/54/44/20/361544420.db2.gz NXQGOJXCDOSFLK-CYBMUJFWSA-N 2 0 231.343 1.622 20 0 BDADRP Cc1cnccc1C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000629649335 361544549 /nfs/dbraw/zinc/54/45/49/361544549.db2.gz PXNILZIWATYPNS-AAEUAGOBSA-N 2 0 219.332 1.607 20 0 BDADRP COC1(C[N@H+](C)CC(C)(C)[NH3+])CCCC1 ZINC000629650336 361547872 /nfs/dbraw/zinc/54/78/72/361547872.db2.gz RPOREURZIKVALD-UHFFFAOYSA-N 2 0 214.353 1.615 20 0 BDADRP C[C@H]1CCC[N@H+](Cc2ccn(C)c2)[C@@H]1CC[NH3+] ZINC000629650701 361548067 /nfs/dbraw/zinc/54/80/67/361548067.db2.gz ZTAASMMBWUNKBA-GXTWGEPZSA-N 2 0 235.375 1.974 20 0 BDADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC1=CCCOC1)C2 ZINC000629650606 361548335 /nfs/dbraw/zinc/54/83/35/361548335.db2.gz XYZYNDJVOCYBJU-KBPBESRZSA-N 2 0 236.359 1.394 20 0 BDADRP C1=C(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)COCC1 ZINC000629653454 361552930 /nfs/dbraw/zinc/55/29/30/361552930.db2.gz JBEIEKXEMJCONF-AWEZNQCLSA-N 2 0 236.359 1.409 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC2=CCCOC2)C1 ZINC000629651822 361557386 /nfs/dbraw/zinc/55/73/86/361557386.db2.gz KSTXVHOUUANYMK-YPMHNXCESA-N 2 0 224.348 1.392 20 0 BDADRP Cn1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000629651896 361557478 /nfs/dbraw/zinc/55/74/78/361557478.db2.gz NRVMEMOMTJJVCG-OAHLLOKOSA-N 2 0 247.386 1.989 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC1=CCCOC1 ZINC000379739544 361574223 /nfs/dbraw/zinc/57/42/23/361574223.db2.gz ZREMEQCTKKJMGV-STQMWFEESA-N 2 0 224.348 1.440 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)CC[C@H](C)[NH3+])cc1 ZINC000434688712 201234291 /nfs/dbraw/zinc/23/42/91/201234291.db2.gz OYMADRABRCXYAR-VHSXEESVSA-N 2 0 235.331 1.772 20 0 BDADRP CC[N@H+](C[C@@H]1CCCOC1)[C@@H]1CCC[NH2+]CC1 ZINC000435388716 201266901 /nfs/dbraw/zinc/26/69/01/201266901.db2.gz GWEIRQQMOCSVOY-UONOGXRCSA-N 2 0 240.391 1.877 20 0 BDADRP CCO[C@H]1C[C@@H]([N@H+](C)CCC[NH2+]C)C1(C)C ZINC000435876915 201291663 /nfs/dbraw/zinc/29/16/63/201291663.db2.gz LOSVMFJMGOLOGQ-NEPJUHHUSA-N 2 0 228.380 1.731 20 0 BDADRP CC[N@H+](CCOCCOC)[C@H]1CCC[NH2+]CC1 ZINC000435617732 201278598 /nfs/dbraw/zinc/27/85/98/201278598.db2.gz OEAQQZSTBWNMOH-ZDUSSCGKSA-N 2 0 244.379 1.113 20 0 BDADRP CCC[N@H+](CCC[NH2+]C)C[C@H]1CCCCO1 ZINC000435880338 201291444 /nfs/dbraw/zinc/29/14/44/201291444.db2.gz ONYBZAADUMYBJU-CYBMUJFWSA-N 2 0 228.380 1.877 20 0 BDADRP C[NH2+]CCC[N@H+](C)[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000435885751 201294398 /nfs/dbraw/zinc/29/43/98/201294398.db2.gz NTMPZBJGCCQLKC-DGCLKSJQSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]CCC[NH3+] ZINC000437771076 201371404 /nfs/dbraw/zinc/37/14/04/201371404.db2.gz GPFOVJPQRAQJJW-NSHDSACASA-N 2 0 246.358 1.822 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000438179528 201396378 /nfs/dbraw/zinc/39/63/78/201396378.db2.gz OOPHXZQVVJUYHX-HZSPNIEDSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]1COCC[C@@H]1[NH2+]CCC1CC[NH+](C)CC1 ZINC000192551412 219942076 /nfs/dbraw/zinc/94/20/76/219942076.db2.gz JBAFFTDCISOOQX-JSGCOSHPSA-N 2 0 240.391 1.733 20 0 BDADRP CC[C@@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248119515 364627286 /nfs/dbraw/zinc/62/72/86/364627286.db2.gz NETAXUXTSYKSQU-XQQFMLRXSA-N 2 0 226.364 1.173 20 0 BDADRP CC[NH+]1CCC(N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000399077586 364780780 /nfs/dbraw/zinc/78/07/80/364780780.db2.gz QIBUXCFTASOVPX-YPMHNXCESA-N 2 0 225.380 1.201 20 0 BDADRP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000573565920 364862940 /nfs/dbraw/zinc/86/29/40/364862940.db2.gz FPBAVDNDUQJXPU-MDZLAQPJSA-N 2 0 249.358 1.237 20 0 BDADRP [NH3+]C1(c2noc([C@H]3C[C@@]34CC[NH2+]C4)n2)CCCC1 ZINC000573681878 364890713 /nfs/dbraw/zinc/89/07/13/364890713.db2.gz AKQPXXOXIJJBLQ-BXKDBHETSA-N 2 0 248.330 1.265 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@](C)(CC)C1 ZINC000573574292 364865600 /nfs/dbraw/zinc/86/56/00/364865600.db2.gz QXCKUYGKNICCPR-KGLIPLIRSA-N 2 0 242.407 1.811 20 0 BDADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@H](C)O)C1 ZINC000573914376 364944191 /nfs/dbraw/zinc/94/41/91/364944191.db2.gz ZUUZRLAKCDFDRH-MELADBBJSA-N 2 0 242.407 1.713 20 0 BDADRP [NH3+]CCCC[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000124900487 181377488 /nfs/dbraw/zinc/37/74/88/181377488.db2.gz VGHAPFAJFRMRSE-UHFFFAOYSA-N 2 0 244.342 1.701 20 0 BDADRP Cc1cnc(CC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])nc1 ZINC000574031725 364970986 /nfs/dbraw/zinc/97/09/86/364970986.db2.gz RJPMXKQRUAPCER-QWHCGFSZSA-N 2 0 248.374 1.577 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CC2(CO)CCCC2)C1 ZINC000168590083 364964421 /nfs/dbraw/zinc/96/44/21/364964421.db2.gz ZCCDMXXTSCRRKS-NWDGAFQWSA-N 2 0 226.364 1.399 20 0 BDADRP [NH3+]CCN(CC[NH3+])Cc1cccc2ccccc21 ZINC000061805925 181390794 /nfs/dbraw/zinc/39/07/94/181390794.db2.gz KXPCDZCXBFBKGJ-UHFFFAOYSA-N 2 0 243.354 1.559 20 0 BDADRP CC[C@H]([NH3+])C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000575121933 365210769 /nfs/dbraw/zinc/21/07/69/365210769.db2.gz QXULFWZDEVLAAP-CABZTGNLSA-N 2 0 235.331 1.060 20 0 BDADRP CC[NH+](CC)CCCN(C)Cc1cnn(C)c1 ZINC000171940723 365259881 /nfs/dbraw/zinc/25/98/81/365259881.db2.gz XKQPGABMAPDRHE-UHFFFAOYSA-N 2 0 238.379 1.584 20 0 BDADRP CO[C@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000444603755 193051957 /nfs/dbraw/zinc/05/19/57/193051957.db2.gz WXLLFILZUUAFOL-ZDUSSCGKSA-N 2 0 226.364 1.583 20 0 BDADRP COCC[C@H](C)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000575195355 365236758 /nfs/dbraw/zinc/23/67/58/365236758.db2.gz HNPMFDNHLAOCEE-SRVKXCTJSA-N 2 0 214.353 1.519 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@@](C)(O)C(C)C)CC1 ZINC000336657417 365345376 /nfs/dbraw/zinc/34/53/76/365345376.db2.gz IJCXBNRMFYADBQ-CYBMUJFWSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000575924944 365416282 /nfs/dbraw/zinc/41/62/82/365416282.db2.gz ZVWXPTBVEGDUFQ-GMXVVIOVSA-N 2 0 249.358 1.319 20 0 BDADRP CC(C)[NH2+]CCCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000575859833 365387607 /nfs/dbraw/zinc/38/76/07/365387607.db2.gz VYQNOTKFXUWVOH-CHWSQXEVSA-N 2 0 227.396 1.624 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCOC[C@H]2CCCO2)C1 ZINC000576002861 365444946 /nfs/dbraw/zinc/44/49/46/365444946.db2.gz FOYNVVVQKXQVLW-FRRDWIJNSA-N 2 0 242.363 1.042 20 0 BDADRP C[N@H+](CC[C@H]1CCC[NH+]1C)C1CCOCC1 ZINC000576129118 365495860 /nfs/dbraw/zinc/49/58/60/365495860.db2.gz ZEVDBWPSLKMAIL-GFCCVEGCSA-N 2 0 226.364 1.582 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)O)C1 ZINC000576149149 365500110 /nfs/dbraw/zinc/50/01/10/365500110.db2.gz LWUHPYNFALRDBW-GHMZBOCLSA-N 2 0 214.353 1.220 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1NCC[C@H]1CCC[NH2+]1 ZINC000579822985 367023855 /nfs/dbraw/zinc/02/38/55/367023855.db2.gz DKUZMFZWSVWZFG-AGIUHOORSA-N 3 0 225.380 1.378 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+][C@@H](C)C[C@@H](C)[NH3+])CCO1 ZINC000579833438 367037948 /nfs/dbraw/zinc/03/79/48/367037948.db2.gz AVOQAFKICZQEMV-YVECIDJPSA-N 2 0 228.380 1.907 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])CCO1 ZINC000579833436 367038167 /nfs/dbraw/zinc/03/81/67/367038167.db2.gz AVOQAFKICZQEMV-UMSGYPCISA-N 2 0 228.380 1.907 20 0 BDADRP CC[C@H](O)C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000579943933 367094146 /nfs/dbraw/zinc/09/41/46/367094146.db2.gz ZDBQBWMBKBVGSR-AWEZNQCLSA-N 2 0 236.359 1.609 20 0 BDADRP CC(C)C[C@H]([NH3+])c1noc([C@@H]2CC[NH2+][C@@H]2C)n1 ZINC000580892162 367199432 /nfs/dbraw/zinc/19/94/32/367199432.db2.gz DLKDVOKWFFLODB-BBBLOLIVSA-N 2 0 238.335 1.581 20 0 BDADRP C[C@@H]1CCN(Cc2nc(C(C)(C)[NH3+])no2)[C@@H]1C ZINC000380662477 367269784 /nfs/dbraw/zinc/26/97/84/367269784.db2.gz AYEBBCHGTBDBJV-RKDXNWHRSA-N 2 0 238.335 1.494 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+]CC[C@H]2CCOC2)C1 ZINC000381621818 367440060 /nfs/dbraw/zinc/44/00/60/367440060.db2.gz AIGYYHWMVNLGCD-QWHCGFSZSA-N 2 0 226.364 1.344 20 0 BDADRP COC[C@H]([NH2+]CCC[NH2+]C1CC1)C(C)C ZINC000382543295 367536109 /nfs/dbraw/zinc/53/61/09/367536109.db2.gz WTNCQPSLNHNAAT-LBPRGKRZSA-N 2 0 214.353 1.389 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+]CCC[NH2+]C1CC1 ZINC000382577880 367544204 /nfs/dbraw/zinc/54/42/04/367544204.db2.gz HZWLZMUOVJPAIU-LLVKDONJSA-N 2 0 222.336 1.003 20 0 BDADRP CN(C[C@H](O)C[NH2+]C[C@@H]1CC=CCC1)C1CC1 ZINC000383497112 367629155 /nfs/dbraw/zinc/62/91/55/367629155.db2.gz DJGNJBXVVACBBG-TZMCWYRMSA-N 2 0 238.375 1.387 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCSC2)C1 ZINC000384040309 367670292 /nfs/dbraw/zinc/67/02/92/367670292.db2.gz FVHFYZXOKPLYSP-UTUOFQBUSA-N 2 0 228.405 1.989 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])[C@H](C)O1 ZINC000384735289 367724140 /nfs/dbraw/zinc/72/41/40/367724140.db2.gz KMSLESSIRDNJGZ-MLGHIDQZSA-N 2 0 226.364 1.659 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)CC1 ZINC000384908619 367754438 /nfs/dbraw/zinc/75/44/38/367754438.db2.gz OJWFXGXJNNQBLO-YRGRVCCFSA-N 2 0 240.391 1.874 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000384925804 367759059 /nfs/dbraw/zinc/75/90/59/367759059.db2.gz PRTFOQPPMZWRKC-JHJVBQTASA-N 2 0 228.380 1.872 20 0 BDADRP CC(C)(CO)CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000385881918 367873808 /nfs/dbraw/zinc/87/38/08/367873808.db2.gz LIBFHZMJZWYCPI-MNOVXSKESA-N 2 0 214.353 1.255 20 0 BDADRP C[C@H]1C[C@H](N(C)C(=O)CCCC[NH3+])CC[N@@H+]1C ZINC000566185306 326008995 /nfs/dbraw/zinc/00/89/95/326008995.db2.gz AZNLGRBAGXCKGJ-NWDGAFQWSA-N 2 0 241.379 1.057 20 0 BDADRP COCC(C)(C)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386547553 367991028 /nfs/dbraw/zinc/99/10/28/367991028.db2.gz GDFMNZYNIAMNQU-RYUDHWBXSA-N 2 0 228.380 1.779 20 0 BDADRP CC[N@H+](C)CCN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386575490 367994269 /nfs/dbraw/zinc/99/42/69/367994269.db2.gz NBHLPOKCNABZMG-VXGBXAGGSA-N 2 0 213.369 1.058 20 0 BDADRP C[C@H](NC[C@@H]1CCC[N@@H+]1C)[C@@H]1CCCC[NH2+]1 ZINC000386430080 367970212 /nfs/dbraw/zinc/97/02/12/367970212.db2.gz LFZCXGQSDWFIDM-AVGNSLFASA-N 2 0 225.380 1.201 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC[C@@H](O)C1)[C@@H]1CCCC[NH2+]1 ZINC000386445998 367974291 /nfs/dbraw/zinc/97/42/91/367974291.db2.gz NJMXNJXKCAJSPR-LOWDOPEQSA-N 2 0 226.364 1.268 20 0 BDADRP CC[NH+](CC)CCCN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386473283 367979249 /nfs/dbraw/zinc/97/92/49/367979249.db2.gz QUYONLNSMMMUEM-UONOGXRCSA-N 2 0 241.423 1.839 20 0 BDADRP C[C@@H]1CCC[C@H]([NH2+]CCN2CC[NH2+]CC2)C1 ZINC000022792828 367985578 /nfs/dbraw/zinc/98/55/78/367985578.db2.gz SIFVZCGEGKAGEN-OLZOCXBDSA-N 2 0 225.380 1.060 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CC12CCCC2 ZINC000386983631 368041096 /nfs/dbraw/zinc/04/10/96/368041096.db2.gz COCLWWKPLMRJPL-RYUDHWBXSA-N 2 0 226.364 1.663 20 0 BDADRP Cc1noc([C@H](C)N(C)CCn2ccnc2)n1 ZINC000581951986 368018758 /nfs/dbraw/zinc/01/87/58/368018758.db2.gz VDZCDIXTUIHXOY-VIFPVBQESA-N 2 0 235.291 1.268 20 0 BDADRP CC[NH+]1CCC(C[NH2+]Cc2cc[nH]c2)CC1 ZINC000085579631 368867288 /nfs/dbraw/zinc/86/72/88/368867288.db2.gz PAYDNBGFALMPND-UHFFFAOYSA-N 2 0 221.348 1.836 20 0 BDADRP Cc1cccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000086403945 368880125 /nfs/dbraw/zinc/88/01/25/368880125.db2.gz ZFQSGMMMBGCTCO-RYUDHWBXSA-N 2 0 219.332 1.750 20 0 BDADRP CC[NH+](CC)CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000086401886 368880330 /nfs/dbraw/zinc/88/03/30/368880330.db2.gz FHFMPTRGGSRJMV-NEPJUHHUSA-N 2 0 213.369 1.188 20 0 BDADRP CC[NH+](CC)CCCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000086401975 368880380 /nfs/dbraw/zinc/88/03/80/368880380.db2.gz KVQMFPHRLKEOEL-CHWSQXEVSA-N 2 0 227.396 1.578 20 0 BDADRP Cc1nccnc1CN1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000631828104 368998012 /nfs/dbraw/zinc/99/80/12/368998012.db2.gz FFRARBWAOFCEJZ-WZRBSPASSA-N 2 0 248.374 1.590 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)C1 ZINC000459630792 203323429 /nfs/dbraw/zinc/32/34/29/203323429.db2.gz JAHBVNPYXCGZLS-IGQOVBAYSA-N 2 0 240.391 1.874 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)C1 ZINC000459630795 203324672 /nfs/dbraw/zinc/32/46/72/203324672.db2.gz JAHBVNPYXCGZLS-YIYPIFLZSA-N 2 0 240.391 1.874 20 0 BDADRP COC(=O)CCC[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404397474 369428211 /nfs/dbraw/zinc/42/82/11/369428211.db2.gz PKUFRTQSBVFXPM-VXGBXAGGSA-N 2 0 242.363 1.389 20 0 BDADRP C[C@H]([NH3+])CCC(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000404893832 369438073 /nfs/dbraw/zinc/43/80/73/369438073.db2.gz RVWRELNQMQWJEP-RYUDHWBXSA-N 2 0 241.379 1.057 20 0 BDADRP COC1CC([NH2+]Cc2ccc3c[nH+]cn3c2)C1 ZINC000459656188 203330237 /nfs/dbraw/zinc/33/02/37/203330237.db2.gz FYUMSPDGOYIVMP-UHFFFAOYSA-N 2 0 231.299 1.601 20 0 BDADRP C[C@@H]1CN(C)C[C@H]1[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459724945 203341188 /nfs/dbraw/zinc/34/11/88/203341188.db2.gz FJASZJHSBOYESI-MGPQQGTHSA-N 2 0 239.407 1.258 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ncc[nH]2)C1 ZINC000459732649 203345157 /nfs/dbraw/zinc/34/51/57/203345157.db2.gz MHTZYEIOHDNLEB-LLVKDONJSA-N 2 0 222.336 1.231 20 0 BDADRP CC[C@@H](COC)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459779631 203365565 /nfs/dbraw/zinc/36/55/65/203365565.db2.gz LLLNEIVVSCZMHG-STQMWFEESA-N 2 0 228.380 1.733 20 0 BDADRP COCCC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567889628 326276916 /nfs/dbraw/zinc/27/69/16/326276916.db2.gz DHYKJGONSFGWRK-GFCCVEGCSA-N 2 0 212.337 1.098 20 0 BDADRP CC[NH+](CC)CCCN1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621784839 370537482 /nfs/dbraw/zinc/53/74/82/370537482.db2.gz VTMGEUJASONDFA-ZIAGYGMSSA-N 2 0 239.407 1.532 20 0 BDADRP CN1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C(C)(C)C1 ZINC000621776485 370524246 /nfs/dbraw/zinc/52/42/46/370524246.db2.gz MRZQBRSSTDYNTJ-ZDUSSCGKSA-N 2 0 239.407 1.402 20 0 BDADRP COCCCC[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621782112 370530639 /nfs/dbraw/zinc/53/06/39/370530639.db2.gz MPCHDQJAEPJECJ-NEPJUHHUSA-N 2 0 212.337 1.226 20 0 BDADRP [NH3+][C@]12CCC[C@@H]1C[N@H+](CC1CC=CC1)C2 ZINC000621784502 370535504 /nfs/dbraw/zinc/53/55/04/370535504.db2.gz PWFDQAXUOMBWNB-OLZOCXBDSA-N 2 0 206.333 1.766 20 0 BDADRP C[N@@H+]1CCC[C@H]1CN[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000623786535 371092260 /nfs/dbraw/zinc/09/22/60/371092260.db2.gz WMABSQNIQCQQLA-MJBXVCDLSA-N 2 0 237.391 1.297 20 0 BDADRP Cc1ccc(C[NH2+]CCN2CC[C@H](O)C2)cc1C ZINC000623835892 371119773 /nfs/dbraw/zinc/11/97/73/371119773.db2.gz BQLJEZYAXHSSDT-HNNXBMFYSA-N 2 0 248.370 1.460 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@]2(C)CO)CC[NH2+]1 ZINC000569199960 326394599 /nfs/dbraw/zinc/39/45/99/326394599.db2.gz DDLQPYRTCAYQHD-AGIUHOORSA-N 2 0 226.364 1.221 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](OC)C2)[C@H](C)C1 ZINC000624296578 371462122 /nfs/dbraw/zinc/46/21/22/371462122.db2.gz AXPANYWEQJLVID-LPWJVIDDSA-N 2 0 226.364 1.484 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000631666641 372491799 /nfs/dbraw/zinc/49/17/99/372491799.db2.gz GNYWTRUUYMDDCO-MJBXVCDLSA-N 2 0 242.407 1.857 20 0 BDADRP CCC[C@H](CCO)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000631667552 372493323 /nfs/dbraw/zinc/49/33/23/372493323.db2.gz QIRXWCAGZFTZMH-CYBMUJFWSA-N 2 0 242.407 2.000 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC[C@H](O)C(F)F)CC[N@@H+]1C ZINC000631697698 372510237 /nfs/dbraw/zinc/51/02/37/372510237.db2.gz OOMGPTHPWFIGNX-BBBLOLIVSA-N 2 0 236.306 1.075 20 0 BDADRP C[C@H]1CN(C2CC2)C[C@H]1[NH2+][C@@H]1CCCC[C@@H]1O ZINC000631811275 372588362 /nfs/dbraw/zinc/58/83/62/372588362.db2.gz WYCUGMJGNKRGAH-ASEORRQLSA-N 2 0 238.375 1.362 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](C[C@H]2CCO[C@@H]2C)CC1 ZINC000631820855 372593632 /nfs/dbraw/zinc/59/36/32/372593632.db2.gz ITAAUDQKLBEFRK-DMDPSCGWSA-N 2 0 226.364 1.471 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631822582 372599071 /nfs/dbraw/zinc/59/90/71/372599071.db2.gz IOBZWEQGVQWDTH-CSHRUCKSSA-N 2 0 238.375 1.626 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000631823363 372599794 /nfs/dbraw/zinc/59/97/94/372599794.db2.gz CKJNWRULJVDYQC-MEBFFEOJSA-N 2 0 238.375 1.471 20 0 BDADRP Cc1nccnc1CN1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000631828102 372609011 /nfs/dbraw/zinc/60/90/11/372609011.db2.gz FFRARBWAOFCEJZ-LOWVWBTDSA-N 2 0 248.374 1.590 20 0 BDADRP N[C@@H]1CCCCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000631835084 372621136 /nfs/dbraw/zinc/62/11/36/372621136.db2.gz MBGFYLNQYAKIIX-CHWSQXEVSA-N 2 0 225.380 1.189 20 0 BDADRP Cc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cn1 ZINC000631837338 372626653 /nfs/dbraw/zinc/62/66/53/372626653.db2.gz RBPUEPRHFAUDMV-ZWNOBZJWSA-N 2 0 219.332 1.417 20 0 BDADRP CC[NH+](CC)CCCN1C[C@H]([NH3+])C[C@@H]1C ZINC000631863224 372666789 /nfs/dbraw/zinc/66/67/89/372666789.db2.gz YJZDZQFEGUQYEU-NWDGAFQWSA-N 2 0 213.369 1.140 20 0 BDADRP CCCCC[NH+]1CCC([NH2+]CCO)CC1 ZINC000631866322 372668421 /nfs/dbraw/zinc/66/84/21/372668421.db2.gz XXSVFAJBRFUTBV-UHFFFAOYSA-N 2 0 214.353 1.223 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CCC[C@H](C2CCC2)CC1 ZINC000631873217 372674828 /nfs/dbraw/zinc/67/48/28/372674828.db2.gz MVCIGTDVFCQQIO-AWEZNQCLSA-N 2 0 240.391 1.864 20 0 BDADRP C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)OCC1CC1 ZINC000631887975 372681663 /nfs/dbraw/zinc/68/16/63/372681663.db2.gz SEDAOKMUSBNYQD-ZIAGYGMSSA-N 2 0 238.375 1.487 20 0 BDADRP CC(C)OCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631887266 372682009 /nfs/dbraw/zinc/68/20/09/372682009.db2.gz PQJOQTVNIPVNKE-CHWSQXEVSA-N 2 0 226.364 1.485 20 0 BDADRP C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)OCC1CC1 ZINC000631887972 372682143 /nfs/dbraw/zinc/68/21/43/372682143.db2.gz SEDAOKMUSBNYQD-KBPBESRZSA-N 2 0 238.375 1.487 20 0 BDADRP Cn1cc(CC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cn1 ZINC000631888883 372683684 /nfs/dbraw/zinc/68/36/84/372683684.db2.gz CRMWDLCVQMZUCA-ZIAGYGMSSA-N 2 0 248.374 1.037 20 0 BDADRP c1cncc(CC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631891033 372686381 /nfs/dbraw/zinc/68/63/81/372686381.db2.gz XLUCLDJSTFASCY-GJZGRUSLSA-N 2 0 245.370 1.698 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000414774258 205770248 /nfs/dbraw/zinc/77/02/48/205770248.db2.gz BBWMZMUOEGOJKB-ZIAGYGMSSA-N 2 0 239.407 1.435 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCCOC(F)F)CC[N@@H+]1C ZINC000194032078 206001276 /nfs/dbraw/zinc/00/12/76/206001276.db2.gz OYQDYBQLKJBDKU-UWVGGRQHSA-N 2 0 236.306 1.688 20 0 BDADRP CC[NH2+][C@@H](C)c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000634557808 374316206 /nfs/dbraw/zinc/31/62/06/374316206.db2.gz HKGGDJKVNWFEHP-VIFPVBQESA-N 2 0 246.314 1.866 20 0 BDADRP [NH3+]C1(c2noc([C@H](F)[C@H]3CC[NH2+]C3)n2)CCC1 ZINC000634556024 374314510 /nfs/dbraw/zinc/31/45/10/374314510.db2.gz CHGBLUHUFCSHRQ-JGVFFNPUSA-N 2 0 240.282 1.028 20 0 BDADRP [NH3+]C1(c2noc([C@H](F)[C@@H]3CC[NH2+]C3)n2)CCC1 ZINC000634556023 374314779 /nfs/dbraw/zinc/31/47/79/374314779.db2.gz CHGBLUHUFCSHRQ-HTQZYQBOSA-N 2 0 240.282 1.028 20 0 BDADRP C[NH+](CC(O)C[N@@H+](C)C1CCC1)C1CCC1 ZINC000194556696 206094271 /nfs/dbraw/zinc/09/42/71/206094271.db2.gz RUGJELHBOFIKQV-UHFFFAOYSA-N 2 0 226.364 1.316 20 0 BDADRP CCOCCC[NH2+][C@@H]1CN(CC)C[C@@H]1C ZINC000336748831 170382781 /nfs/dbraw/zinc/38/27/81/170382781.db2.gz CZPFOERDXULWCS-NWDGAFQWSA-N 2 0 214.353 1.343 20 0 BDADRP OC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CCC1 ZINC000127375940 183020633 /nfs/dbraw/zinc/02/06/33/183020633.db2.gz BCBZDFQFMSRBHI-FRRDWIJNSA-N 2 0 238.375 1.412 20 0 BDADRP OCCCC1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000339414025 183043637 /nfs/dbraw/zinc/04/36/37/183043637.db2.gz RBULIARUGVXYHL-UHFFFAOYSA-N 2 0 240.391 1.471 20 0 BDADRP OCCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000305056737 183056670 /nfs/dbraw/zinc/05/66/70/183056670.db2.gz CRPVBTLUVHGEFF-UHFFFAOYSA-N 2 0 240.391 1.756 20 0 BDADRP CCCC[C@H](COC)[NH2+][C@H]1CN(C)C[C@H]1C ZINC000309723340 169004867 /nfs/dbraw/zinc/00/48/67/169004867.db2.gz WYBRQDGOFMWIDQ-UPJWGTAASA-N 2 0 228.380 1.731 20 0 BDADRP OCc1cccc(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000227455922 183167143 /nfs/dbraw/zinc/16/71/43/183167143.db2.gz ZCURBSCPLPITMH-CQSZACIVSA-N 2 0 234.343 1.411 20 0 BDADRP CCC[N@H+](C)CC(=O)NCC[NH+](CC)C(C)C ZINC000359260946 169069776 /nfs/dbraw/zinc/06/97/76/169069776.db2.gz CYBLZMLKIQKCET-UHFFFAOYSA-N 2 0 243.395 1.175 20 0 BDADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)CC)C1 ZINC000304707769 169078103 /nfs/dbraw/zinc/07/81/03/169078103.db2.gz LCOZQQKEEJOERJ-STQMWFEESA-N 2 0 228.380 1.421 20 0 BDADRP CCCN(CC)CC[NH2+][C@@H](C)CCC[NH3+] ZINC000308893495 169123604 /nfs/dbraw/zinc/12/36/04/169123604.db2.gz YRVXUDCPJYNOSZ-LBPRGKRZSA-N 2 0 215.385 1.435 20 0 BDADRP CCC[N@H+](CC[C@@H]1CCC[NH+]1C)CC(C)(C)O ZINC000336712193 169170972 /nfs/dbraw/zinc/17/09/72/169170972.db2.gz OAJUWLNKQSGAPL-ZDUSSCGKSA-N 2 0 242.407 1.954 20 0 BDADRP CCCN(c1cc[nH+]c(C)c1)[C@H]1CC[NH2+]C1 ZINC000229575068 169182332 /nfs/dbraw/zinc/18/23/32/169182332.db2.gz XTXWDSOPMRNSGQ-ZDUSSCGKSA-N 2 0 219.332 1.968 20 0 BDADRP c1cc(NCC[NH+]2CCCCC2)cc[nH+]1 ZINC000049575308 183357605 /nfs/dbraw/zinc/35/76/05/183357605.db2.gz PMOOERRTHQHKKL-UHFFFAOYSA-N 2 0 205.305 1.979 20 0 BDADRP CCC[C@@H](C)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000336691984 169359133 /nfs/dbraw/zinc/35/91/33/169359133.db2.gz HJFZVSAQRLUAMC-KGLIPLIRSA-N 2 0 239.407 1.402 20 0 BDADRP CCC[C@@H]([NH3+])C(=O)NCC1([NH3+])CCCCCC1 ZINC000370713462 169389081 /nfs/dbraw/zinc/38/90/81/169389081.db2.gz QEJWAGCIGAMHBG-LLVKDONJSA-N 2 0 241.379 1.282 20 0 BDADRP COC1CC([NH2+]CC2CC[NH+](C)CC2)C1 ZINC000221108605 134317123 /nfs/dbraw/zinc/31/71/23/134317123.db2.gz DLHFVCHZHUQVGW-UHFFFAOYSA-N 2 0 212.337 1.095 20 0 BDADRP CO[C@@H](C[NH2+][C@H](C)CC[NH+](C)C)CC(C)C ZINC000669572612 487528422 /nfs/dbraw/zinc/52/84/22/487528422.db2.gz VZRZALCWHVKFEW-CHWSQXEVSA-N 2 0 230.396 1.977 20 0 BDADRP C[C@@H]([NH3+])CN1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000307661859 532961902 /nfs/dbraw/zinc/96/19/02/532961902.db2.gz VKKQNTABBKSMGE-KGLIPLIRSA-N 2 0 247.386 1.540 20 0 BDADRP CC[C@H](COC)[NH2+][C@@H]1CCN2CCCC[C@@H]12 ZINC000227192127 134375028 /nfs/dbraw/zinc/37/50/28/134375028.db2.gz CGMRGDHGNPGZHT-UPJWGTAASA-N 2 0 226.364 1.628 20 0 BDADRP CO[C@H](C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1)C1CC1 ZINC000400177323 383825278 /nfs/dbraw/zinc/82/52/78/383825278.db2.gz PRDQSMFVPOPECY-TZMCWYRMSA-N 2 0 240.391 1.731 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000301010910 383842808 /nfs/dbraw/zinc/84/28/08/383842808.db2.gz XPLAAMRJRCCAAI-QWRGUYRKSA-N 2 0 232.318 1.963 20 0 BDADRP C[N@H+](CCCC(C)(C)C)CCOCC[NH3+] ZINC000301013583 383843115 /nfs/dbraw/zinc/84/31/15/383843115.db2.gz HDQBPAIECWHODM-UHFFFAOYSA-N 2 0 216.369 1.720 20 0 BDADRP CCOCC[NH+]1CCC(CC[NH2+]C)CC1 ZINC000069730591 383844602 /nfs/dbraw/zinc/84/46/02/383844602.db2.gz FHLLNRAEWDUAJN-UHFFFAOYSA-N 2 0 214.353 1.344 20 0 BDADRP [NH3+]CC[C@H]1CCCC[N@@H+]1C[C@@H]1CCOC1 ZINC000070074076 383858545 /nfs/dbraw/zinc/85/85/45/383858545.db2.gz JPXKDXXEUODRLV-NWDGAFQWSA-N 2 0 212.337 1.226 20 0 BDADRP C[NH+](C)CC1CCC([NH2+]Cc2ncc[nH]2)CC1 ZINC000119815161 383870341 /nfs/dbraw/zinc/87/03/41/383870341.db2.gz JNIALVVOMYFGRI-UHFFFAOYSA-N 2 0 236.363 1.620 20 0 BDADRP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ccccn1 ZINC000020439737 383878171 /nfs/dbraw/zinc/87/81/71/383878171.db2.gz OFQDHZMVJLQEKE-CYBMUJFWSA-N 2 0 219.332 1.785 20 0 BDADRP C[NH2+]CCC[N@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC000301004578 383829583 /nfs/dbraw/zinc/82/95/83/383829583.db2.gz WLXWNGDPFYOGNM-SNVBAGLBSA-N 2 0 220.307 1.963 20 0 BDADRP C[N@@H+](Cc1ccccn1)CC1CC[NH2+]CC1 ZINC000036777705 383910454 /nfs/dbraw/zinc/91/04/54/383910454.db2.gz IKMWRWMKKMFNSJ-UHFFFAOYSA-N 2 0 219.332 1.513 20 0 BDADRP CC[C@@H]([NH2+][C@@H](C)CCC[NH3+])[C@@H](O)CC ZINC000313137519 383926186 /nfs/dbraw/zinc/92/61/86/383926186.db2.gz GLKOFKXVBDSUDK-AXFHLTTASA-N 2 0 202.342 1.253 20 0 BDADRP CC[C@H]1CN(C(=O)CCC(C)(C)[NH3+])CC[C@H]1[NH3+] ZINC000648124986 383884270 /nfs/dbraw/zinc/88/42/70/383884270.db2.gz HISLQXSQLUNWOE-WDEREUQCSA-N 2 0 241.379 1.090 20 0 BDADRP Cc1ccc(C)c(C[NH+]2CCC(O)(C[NH3+])CC2)c1 ZINC000071563611 383997400 /nfs/dbraw/zinc/99/74/00/383997400.db2.gz QDIYLIFHSFOFTQ-UHFFFAOYSA-N 2 0 248.370 1.589 20 0 BDADRP Cc1n[nH]cc1C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000336457618 383946559 /nfs/dbraw/zinc/94/65/59/383946559.db2.gz LSRYXLQZNSHLSJ-UHFFFAOYSA-N 2 0 248.374 1.778 20 0 BDADRP CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000305123182 384016671 /nfs/dbraw/zinc/01/66/71/384016671.db2.gz KGHWGXXFLOSPLK-XJFOESAGSA-N 2 0 242.407 1.713 20 0 BDADRP CC(C)[NH2+]CCc1nc([C@@H]2CCC[NH2+]2)no1 ZINC000647156676 384043747 /nfs/dbraw/zinc/04/37/47/384043747.db2.gz LDYYIDSPZIOFMG-VIFPVBQESA-N 2 0 224.308 1.035 20 0 BDADRP C[C@H](N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@H]1CCC[NH2+]1 ZINC000643547391 384033859 /nfs/dbraw/zinc/03/38/59/384033859.db2.gz DRJBCCQSILELPE-YNEHKIRRSA-N 2 0 237.391 1.391 20 0 BDADRP CC(C)([NH3+])CCC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000648129953 384086775 /nfs/dbraw/zinc/08/67/75/384086775.db2.gz XYIIVQCSSOUWFZ-NSHDSACASA-N 2 0 241.379 1.091 20 0 BDADRP CC[C@H](O)C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000253026090 384141810 /nfs/dbraw/zinc/14/18/10/384141810.db2.gz NIPJNDAIYSSCEH-XDTLVQLUSA-N 2 0 220.316 1.492 20 0 BDADRP CC1CC([NH2+][C@@H]2CCCN(CCCO)C2)C1 ZINC000449392893 384158642 /nfs/dbraw/zinc/15/86/42/384158642.db2.gz ABFNVHHWXYZENR-OTTFEQOBSA-N 2 0 226.364 1.221 20 0 BDADRP Cc1csc(C[NH2+]C[C@H]2CC[NH2+][C@H](C)C2)n1 ZINC000235393795 384188042 /nfs/dbraw/zinc/18/80/42/384188042.db2.gz HIWQTFBVBBFWAG-KOLCDFICSA-N 2 0 239.388 1.929 20 0 BDADRP C[NH2+]C1CC[NH+]([C@H](C)CCOC)CC1 ZINC000081715677 384195922 /nfs/dbraw/zinc/19/59/22/384195922.db2.gz RRCQFVLKFCMNJF-SNVBAGLBSA-N 2 0 200.326 1.095 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](C[C@H]2CC[C@@H](C)O2)C1 ZINC000168507252 384238977 /nfs/dbraw/zinc/23/89/77/384238977.db2.gz JYTSSSUCOZXTHI-WISYIIOYSA-N 2 0 212.337 1.223 20 0 BDADRP C[N@@H+](Cc1cncs1)CC1CC[NH+](C)CC1 ZINC000093088736 384211573 /nfs/dbraw/zinc/21/15/73/384211573.db2.gz ZGXDPVQAAAJHBH-UHFFFAOYSA-N 2 0 239.388 1.917 20 0 BDADRP [NH3+]C[C@H]1CCC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000082581721 384243422 /nfs/dbraw/zinc/24/34/22/384243422.db2.gz XLMCKLCVFNAMPS-NEPJUHHUSA-N 2 0 212.337 1.084 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000133344276 384246104 /nfs/dbraw/zinc/24/61/04/384246104.db2.gz WITPJCBORFEEBZ-AGIUHOORSA-N 2 0 208.349 1.718 20 0 BDADRP COC1(C[N@H+](C)C2CC([NH3+])C2)CCCC1 ZINC000319386538 384247629 /nfs/dbraw/zinc/24/76/29/384247629.db2.gz DABQQQGWAPRCKU-UHFFFAOYSA-N 2 0 212.337 1.367 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCCC2)CO1 ZINC000401909513 384248551 /nfs/dbraw/zinc/24/85/51/384248551.db2.gz VWQFWHIFIKIBBB-NWDGAFQWSA-N 2 0 212.337 1.239 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](CC[C@H]2CCCO2)C[C@@H]1C[NH3+] ZINC000397476084 384253624 /nfs/dbraw/zinc/25/36/24/384253624.db2.gz GWVQDZBLSHILBK-ZOBORPQBSA-N 2 0 240.391 1.861 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000644166526 384257095 /nfs/dbraw/zinc/25/70/95/384257095.db2.gz WHHVMMDULLOLCW-UMSGYPCISA-N 2 0 226.364 1.804 20 0 BDADRP Cc1csc(C[NH2+]CCCC[NH+](C)C)n1 ZINC000082725434 384260476 /nfs/dbraw/zinc/26/04/76/384260476.db2.gz PSHPGYMISNAGMI-UHFFFAOYSA-N 2 0 227.377 1.883 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]21 ZINC000228476278 384260731 /nfs/dbraw/zinc/26/07/31/384260731.db2.gz OSOIDHQLOYPUCS-UMSGYPCISA-N 2 0 224.348 1.082 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000558726696 384264573 /nfs/dbraw/zinc/26/45/73/384264573.db2.gz GAPUTSJMFHFVNH-UONOGXRCSA-N 2 0 242.407 1.811 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccncc3)C[C@H]21 ZINC000228537038 384273938 /nfs/dbraw/zinc/27/39/38/384273938.db2.gz MCOXTWXUTWSZGZ-MGPQQGTHSA-N 2 0 231.343 1.641 20 0 BDADRP C[C@H](C[NH3+])N(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000237635213 384322882 /nfs/dbraw/zinc/32/28/82/384322882.db2.gz VQCXMESXPONEHP-LLVKDONJSA-N 2 0 249.358 1.167 20 0 BDADRP CC[NH+](CC)CCCN1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000083355709 384291797 /nfs/dbraw/zinc/29/17/97/384291797.db2.gz AZFWAXBYHHDTHF-OLZOCXBDSA-N 2 0 227.396 1.401 20 0 BDADRP CC[NH+](CC)CCCN1CC[NH2+][C@@H](C)C1 ZINC000083347610 384297420 /nfs/dbraw/zinc/29/74/20/384297420.db2.gz VOSSWQDOZSYEFG-LBPRGKRZSA-N 2 0 213.369 1.012 20 0 BDADRP C(C1CC1)[N@@H+]1C[C@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000361303308 384366927 /nfs/dbraw/zinc/36/69/27/384366927.db2.gz HSSLLSURFGAWNQ-MJBXVCDLSA-N 2 0 220.360 1.813 20 0 BDADRP C[C@H](O)C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000560870682 384391771 /nfs/dbraw/zinc/39/17/71/384391771.db2.gz JQQDYKSKZBGLCP-ZDUSSCGKSA-N 2 0 248.370 1.753 20 0 BDADRP CC(C)([NH3+])CNCc1ccc(Cl)nc1 ZINC000095936718 384414344 /nfs/dbraw/zinc/41/43/44/384414344.db2.gz VEWSIPZSBCVFCN-UHFFFAOYSA-N 2 0 213.712 1.562 20 0 BDADRP CC(C)[NH+]1CCC(N[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000335644712 384419138 /nfs/dbraw/zinc/41/91/38/384419138.db2.gz YFWUMKIRWUEMGT-OCCSQVGLSA-N 2 0 239.407 1.589 20 0 BDADRP C[NH+](C)CCCN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000084215637 384376868 /nfs/dbraw/zinc/37/68/68/384376868.db2.gz QGEXMVZPGGJRAZ-NWDGAFQWSA-N 3 0 213.369 1.045 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cccs1 ZINC000084218133 384377663 /nfs/dbraw/zinc/37/76/63/384377663.db2.gz VCYVXUYKJXNTMY-MWLCHTKSSA-N 2 0 210.346 1.965 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000335607344 384379886 /nfs/dbraw/zinc/37/98/86/384379886.db2.gz RBUFMAWUCXXHPJ-JQWIXIFHSA-N 2 0 210.321 1.015 20 0 BDADRP C[C@@H]1OCC[C@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000335607343 384382049 /nfs/dbraw/zinc/38/20/49/384382049.db2.gz RBUFMAWUCXXHPJ-CMPLNLGQSA-N 2 0 210.321 1.015 20 0 BDADRP [NH3+]CCCC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000147855603 384457367 /nfs/dbraw/zinc/45/73/67/384457367.db2.gz MFUKYKDHABELAJ-OLZOCXBDSA-N 3 0 219.332 1.460 20 0 BDADRP Cc1cc(N2CC[C@H](C)[C@@H](C[NH3+])C2)cc[nH+]1 ZINC000229096540 384432215 /nfs/dbraw/zinc/43/22/15/384432215.db2.gz NQVSSLBPNWYOEW-JQWIXIFHSA-N 2 0 219.332 1.811 20 0 BDADRP C[C@]1(C[N@@H+]2CCC[C@H](CCO)C2)CC[NH2+]C1 ZINC000647515911 384459925 /nfs/dbraw/zinc/45/99/25/384459925.db2.gz ZTZLPFHYKMVAOP-OLZOCXBDSA-N 2 0 226.364 1.080 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@@H]1C)[C@H](C)O ZINC000449547086 384499211 /nfs/dbraw/zinc/49/92/11/384499211.db2.gz XEAKCDOTOZVJQT-XRRVDJEJSA-N 2 0 226.364 1.218 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)C[C@@H]2CC[NH2+]C2)cc1 ZINC000648146612 384490507 /nfs/dbraw/zinc/49/05/07/384490507.db2.gz SVMHGIVEOSKLND-LBPRGKRZSA-N 2 0 247.342 1.344 20 0 BDADRP C1CSC[C@@H]([N@@H+]2CCC[NH2+]CC2)C1 ZINC000061590665 384520996 /nfs/dbraw/zinc/52/09/96/384520996.db2.gz QFBRIYFKMCQDJL-JTQLQIEISA-N 2 0 200.351 1.177 20 0 BDADRP CC(C)[C@@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000150959467 384527682 /nfs/dbraw/zinc/52/76/82/384527682.db2.gz SNAPLJRSCBJPJL-CYBMUJFWSA-N 2 0 241.423 1.647 20 0 BDADRP CCCC[N@H+](C)CCNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000236712181 384554418 /nfs/dbraw/zinc/55/44/18/384554418.db2.gz CBIRZKWGFMQNKL-LLVKDONJSA-N 2 0 243.395 1.208 20 0 BDADRP c1cc([C@@H]2CCC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)n[nH]1 ZINC000643057148 384559664 /nfs/dbraw/zinc/55/96/64/384559664.db2.gz GELYJWPMOGAQDH-QWHCGFSZSA-N 2 0 248.374 1.589 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccn(C)c1 ZINC000085591085 384541160 /nfs/dbraw/zinc/54/11/60/384541160.db2.gz XARNHSRGXYNWGG-LLVKDONJSA-N 2 0 209.337 1.455 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@](C)(O)C2CC2)CC[N@@H+]1C ZINC000309792765 384610459 /nfs/dbraw/zinc/61/04/59/384610459.db2.gz UTHBUSOUNKPSOE-RAIGVLPGSA-N 2 0 226.364 1.220 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCn2cnnc2C2CC2)C1 ZINC000568249464 384621419 /nfs/dbraw/zinc/62/14/19/384621419.db2.gz QYKLETMECXIOCC-RYUDHWBXSA-N 2 0 249.362 1.015 20 0 BDADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2cncn2C)C[C@@H]1C[NH3+] ZINC000397414457 384601409 /nfs/dbraw/zinc/60/14/09/384601409.db2.gz XILXWYUNYQLAMY-UTUOFQBUSA-N 2 0 236.363 1.225 20 0 BDADRP FCCC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000306172884 384723874 /nfs/dbraw/zinc/72/38/74/384723874.db2.gz SLWZUXMZXJIIHM-UHFFFAOYSA-N 2 0 200.301 1.422 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H](C)[NH2+]C ZINC000054071612 384726231 /nfs/dbraw/zinc/72/62/31/384726231.db2.gz RMNCPBVKYNJEOX-NEPJUHHUSA-N 2 0 243.395 1.221 20 0 BDADRP C[C@H](O)CCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000300364878 384697868 /nfs/dbraw/zinc/69/78/68/384697868.db2.gz HWPDECDKAHVVJU-MROQNXINSA-N 2 0 228.380 1.466 20 0 BDADRP CC[C@](C)(O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000335918562 384699710 /nfs/dbraw/zinc/69/97/10/384699710.db2.gz ZLPHDWKELSQZAS-STQMWFEESA-N 2 0 226.364 1.175 20 0 BDADRP Cn1ccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000647545754 384727406 /nfs/dbraw/zinc/72/74/06/384727406.db2.gz MHNPNSOBVQQDTK-STQMWFEESA-N 2 0 248.374 1.242 20 0 BDADRP CN1CCC[C@@H]1C[NH2+][C@@H]1CCOC1(C)C ZINC000335919965 384709578 /nfs/dbraw/zinc/70/95/78/384709578.db2.gz LNVHTKBRACTAIQ-GHMZBOCLSA-N 2 0 212.337 1.238 20 0 BDADRP CCC[C@]1(C)CCC[N@H+](CCOCC[NH3+])C1 ZINC000357077044 384777766 /nfs/dbraw/zinc/77/77/66/384777766.db2.gz JGRAJRQXQYVFIM-CYBMUJFWSA-N 2 0 228.380 1.864 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000647546570 384733559 /nfs/dbraw/zinc/73/35/59/384733559.db2.gz PWPMNEZCKJYVLB-FPMFFAJLSA-N 2 0 233.359 1.274 20 0 BDADRP C[C@@H]1NCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647546953 384734774 /nfs/dbraw/zinc/73/47/74/384734774.db2.gz IBTYYRQRJIWPCC-VJTDZRGJSA-N 2 0 237.391 1.105 20 0 BDADRP C[C@@H]1CNC[C@@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)C1 ZINC000647547048 384738000 /nfs/dbraw/zinc/73/80/00/384738000.db2.gz LXTGMCMRJUYYLJ-AVGNSLFASA-N 2 0 225.380 1.106 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](CCCOCc2ccccc2)C1 ZINC000309973283 384755266 /nfs/dbraw/zinc/75/52/66/384755266.db2.gz OZOZBQDMHFRDRQ-HNNXBMFYSA-N 2 0 248.370 1.874 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cnc2ccccn12 ZINC000647552486 384761571 /nfs/dbraw/zinc/76/15/71/384761571.db2.gz AYYKXYARLZRLIU-WDEREUQCSA-N 2 0 232.331 1.550 20 0 BDADRP CC(C)(C)[NH2+]CCN[C@H]1CC[NH2+]C12CCCC2 ZINC000647553883 384768958 /nfs/dbraw/zinc/76/89/58/384768958.db2.gz LWWLHEWBXJAMPI-LBPRGKRZSA-N 2 0 239.407 1.639 20 0 BDADRP C(N[C@H]1CC[NH2+]C12CCCC2)[C@H]1CCC[NH2+]C1 ZINC000647554141 384772771 /nfs/dbraw/zinc/77/27/71/384772771.db2.gz RXCITKJGTRKNCE-STQMWFEESA-N 2 0 237.391 1.250 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@H]1CC[C@H](C)O1 ZINC000398153385 384823168 /nfs/dbraw/zinc/82/31/68/384823168.db2.gz HLZBKGIGKMPHQB-OUAUKWLOSA-N 2 0 200.326 1.271 20 0 BDADRP CC[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])OC ZINC000308577082 384827017 /nfs/dbraw/zinc/82/70/17/384827017.db2.gz NFLYLGPVQCONKN-GMTAPVOTSA-N 2 0 200.326 1.128 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1cnccc1N ZINC000423358594 384832117 /nfs/dbraw/zinc/83/21/17/384832117.db2.gz BWUNWJBSYKKCDH-GARJFASQSA-N 2 0 234.347 1.415 20 0 BDADRP C1=C(C[NH2+][C@H]2CCCSC2)CC[NH2+]C1 ZINC000335499450 384832732 /nfs/dbraw/zinc/83/27/32/384832732.db2.gz FPCVUEOLWYQPKJ-NSHDSACASA-N 2 0 212.362 1.391 20 0 BDADRP C[C@H](C[NH3+])N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000398184702 384833411 /nfs/dbraw/zinc/83/34/11/384833411.db2.gz ILEDWMWURYAKEZ-VNHYZAJKSA-N 2 0 247.386 1.586 20 0 BDADRP C[C@H]([NH2+][C@H]1CCCSC1)[C@@H]1CCC[NH2+]1 ZINC000306577041 384783161 /nfs/dbraw/zinc/78/31/61/384783161.db2.gz KYAVVZFGFCDWJD-DCAQKATOSA-N 2 0 214.378 1.612 20 0 BDADRP COC[C@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000234786700 384836085 /nfs/dbraw/zinc/83/60/85/384836085.db2.gz KPZQSSCSJJFETA-AWEZNQCLSA-N 2 0 240.391 1.735 20 0 BDADRP COC[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)C1CC1 ZINC000398082280 384797098 /nfs/dbraw/zinc/79/70/98/384797098.db2.gz HASZUNXUAZRUID-CHWSQXEVSA-N 2 0 226.364 1.533 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)[C@H]2CC[NH2+][C@H]2C)cc1 ZINC000557190448 384876076 /nfs/dbraw/zinc/87/60/76/384876076.db2.gz OXMFZUOQOTTXLG-GWCFXTLKSA-N 2 0 247.342 1.343 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC[NH3+] ZINC000398220688 384851254 /nfs/dbraw/zinc/85/12/54/384851254.db2.gz WBSQUPZULSSWSX-DZGCQCFKSA-N 2 0 247.386 1.445 20 0 BDADRP CCN(C)CC[NH2+][C@H](C)CCCC[NH3+] ZINC000308648957 384889290 /nfs/dbraw/zinc/88/92/90/384889290.db2.gz IYBWHEKMTAPWCB-LLVKDONJSA-N 3 0 201.358 1.045 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCN(C3CC3)C2)C1 ZINC000086403761 384867960 /nfs/dbraw/zinc/86/79/60/384867960.db2.gz POWJVUFHJJXYND-GRYCIOLGSA-N 2 0 223.364 1.083 20 0 BDADRP C[NH+]1CCC(CC[NH2+]Cc2ccncc2)CC1 ZINC000105454821 384868961 /nfs/dbraw/zinc/86/89/61/384868961.db2.gz FXEIRMHNQKEONR-UHFFFAOYSA-N 2 0 233.359 1.903 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000336741743 384952292 /nfs/dbraw/zinc/95/22/92/384952292.db2.gz NLSXHWSYAZHCBI-XQQFMLRXSA-N 2 0 228.380 1.325 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCc1ccccc1F ZINC000258953125 384955884 /nfs/dbraw/zinc/95/58/84/384955884.db2.gz KNYLTUWTFGWWIL-CHWSQXEVSA-N 2 0 222.307 1.838 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2CCSCC2)C1 ZINC000220682546 384890701 /nfs/dbraw/zinc/89/07/01/384890701.db2.gz JARMPRHJBYAWJR-MWLCHTKSSA-N 2 0 214.378 1.742 20 0 BDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC1(O)CCC1 ZINC000127394916 384893682 /nfs/dbraw/zinc/89/36/82/384893682.db2.gz CBWFVSGOMJLLHQ-CHWSQXEVSA-N 2 0 240.391 1.802 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2(C[NH+](C)C)CCCC2)CO1 ZINC000647202331 384902379 /nfs/dbraw/zinc/90/23/79/384902379.db2.gz UTJPLJWCMZFPRH-OLZOCXBDSA-N 2 0 240.391 1.875 20 0 BDADRP [NH3+]CCCN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000257759928 384925145 /nfs/dbraw/zinc/92/51/45/384925145.db2.gz VACKPNGXRIXWPA-CYBMUJFWSA-N 2 0 225.380 1.143 20 0 BDADRP CC[C@@H](O)C[NH2+]C[C@H](C)Cn1ccnc1C ZINC000644525338 384935671 /nfs/dbraw/zinc/93/56/71/384935671.db2.gz QSLRIZPQJDKLDW-CMPLNLGQSA-N 2 0 225.336 1.188 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCc1cc(F)ccc1F ZINC000258804754 384935750 /nfs/dbraw/zinc/93/57/50/384935750.db2.gz CJIZTDGYFKCDLK-QWHCGFSZSA-N 2 0 240.297 1.977 20 0 BDADRP C[C@@H]([NH3+])CCNc1cc(N2CCCCC2)ncn1 ZINC000258577633 384936922 /nfs/dbraw/zinc/93/69/22/384936922.db2.gz DSXDXEBAJHNFTD-LLVKDONJSA-N 2 0 249.362 1.616 20 0 BDADRP c1ccc(COCCCN2CCC[NH2+]CC2)cc1 ZINC000309948848 384940250 /nfs/dbraw/zinc/94/02/50/384940250.db2.gz FCXZBRCIBRYEFF-UHFFFAOYSA-N 2 0 248.370 1.889 20 0 BDADRP CC[C@H](CCO)[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000156800649 384976507 /nfs/dbraw/zinc/97/65/07/384976507.db2.gz KTJFARQVGFYOFY-TUAOUCFPSA-N 2 0 226.364 1.362 20 0 BDADRP Cc1ccc(C)c(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000107573138 384978537 /nfs/dbraw/zinc/97/85/37/384978537.db2.gz MYFXHJSYJWJEJK-GASCZTMLSA-N 2 0 230.355 1.955 20 0 BDADRP CC[NH+](CC)C[C@@H](C)N[C@@H]1CCn2ccnc21 ZINC000345343549 384989240 /nfs/dbraw/zinc/98/92/40/384989240.db2.gz HOWQKIGNRHJUDQ-VXGBXAGGSA-N 2 0 236.363 1.648 20 0 BDADRP CN(C)C1(C[NH2+]C2CCC([NH3+])CC2)CCC1 ZINC000165178044 384991561 /nfs/dbraw/zinc/99/15/61/384991561.db2.gz TZICXFUQESYUIU-UHFFFAOYSA-N 2 0 225.380 1.330 20 0 BDADRP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423494610 385002381 /nfs/dbraw/zinc/00/23/81/385002381.db2.gz SIOZZULIONNINA-FRRDWIJNSA-N 2 0 226.364 1.389 20 0 BDADRP CCSCCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000300859096 385003081 /nfs/dbraw/zinc/00/30/81/385003081.db2.gz CFKRPGOMTFYIQR-MNOVXSKESA-N 2 0 216.394 1.847 20 0 BDADRP C[C@@H](F)CC[NH2+]Cc1cnccc1N(C)C ZINC000339487442 385003265 /nfs/dbraw/zinc/00/32/65/385003265.db2.gz VMVBGORXLKEWEE-SNVBAGLBSA-N 2 0 225.311 1.985 20 0 BDADRP C[C@H](F)CC[NH2+]Cc1cnccc1N(C)C ZINC000339487439 385004528 /nfs/dbraw/zinc/00/45/28/385004528.db2.gz VMVBGORXLKEWEE-JTQLQIEISA-N 2 0 225.311 1.985 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C2([NH3+])CC2)cc1 ZINC000335682579 385036320 /nfs/dbraw/zinc/03/63/20/385036320.db2.gz CESJOVWJOAGFCC-MRVPVSSYSA-N 2 0 219.288 1.136 20 0 BDADRP C[C@@H](CN(C)C)[NH2+][C@H]1CCCOCC1 ZINC000130379752 385036288 /nfs/dbraw/zinc/03/62/88/385036288.db2.gz AFYQUXALMPJQBF-QWRGUYRKSA-N 2 0 200.326 1.095 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000310403439 385043272 /nfs/dbraw/zinc/04/32/72/385043272.db2.gz NQTKBZDUKILNGI-UONOGXRCSA-N 3 0 241.423 1.825 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000227374905 385123818 /nfs/dbraw/zinc/12/38/18/385123818.db2.gz AGZNLTBKAXDPRZ-CQSZACIVSA-N 2 0 237.391 1.156 20 0 BDADRP [NH3+]CCCCC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000646991034 385125928 /nfs/dbraw/zinc/12/59/28/385125928.db2.gz LIJZXJJBCSXJGJ-UHFFFAOYSA-N 2 0 247.342 1.035 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)[C@H](C)O ZINC000644669255 385085631 /nfs/dbraw/zinc/08/56/31/385085631.db2.gz OJPWQOCIMXHOCR-WOPDTQHZSA-N 2 0 214.353 1.077 20 0 BDADRP Cc1ccc(O)c(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)n1 ZINC000227451884 385140548 /nfs/dbraw/zinc/14/05/48/385140548.db2.gz YOQVYSIBRKWZDV-RYUDHWBXSA-N 2 0 249.358 1.655 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCC[NH+]1CCCCC1 ZINC000310522362 385105177 /nfs/dbraw/zinc/10/51/77/385105177.db2.gz MHVFIRBDLKGQGO-CQSZACIVSA-N 3 0 241.423 1.970 20 0 BDADRP COC[C@@H](C)C[NH2+][C@H](C)CCCC[NH3+] ZINC000336687086 385147954 /nfs/dbraw/zinc/14/79/54/385147954.db2.gz MGUYWRPVPIIJIT-WDEREUQCSA-N 2 0 202.342 1.376 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCCCO1 ZINC000336687920 385156381 /nfs/dbraw/zinc/15/63/81/385156381.db2.gz NBGZBEPWCLTOPP-MNOVXSKESA-N 2 0 200.326 1.273 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC23CC3)[C@@H](C)C1 ZINC000424320050 385160584 /nfs/dbraw/zinc/16/05/84/385160584.db2.gz IPTCDMJSBDZZMZ-SDDRHHMPSA-N 2 0 208.349 1.859 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)C1CCC1 ZINC000177987409 385163935 /nfs/dbraw/zinc/16/39/35/385163935.db2.gz AUXBSXSKUWPZEO-LBPRGKRZSA-N 2 0 228.380 1.733 20 0 BDADRP OC1(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000342810205 385168052 /nfs/dbraw/zinc/16/80/52/385168052.db2.gz PGYOZXJGQZOJOC-CHWSQXEVSA-N 2 0 238.375 1.508 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCOc1ccccc1 ZINC000252714057 385221297 /nfs/dbraw/zinc/22/12/97/385221297.db2.gz QXFSWXYKJWRIFG-DZGCQCFKSA-N 2 0 248.370 1.995 20 0 BDADRP [NH3+]C[C@H]1CCC[N@H+](CC2CCOCC2)C1 ZINC000052173124 385224974 /nfs/dbraw/zinc/22/49/74/385224974.db2.gz RLCCUHPOBSJENK-GFCCVEGCSA-N 2 0 212.337 1.084 20 0 BDADRP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@H]1CCCN1C ZINC000178650568 385311486 /nfs/dbraw/zinc/31/14/86/385311486.db2.gz PSRNUIWOKANYRK-JQWIXIFHSA-N 2 0 236.363 1.473 20 0 BDADRP CO[C@H](C)CC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000308962106 385314868 /nfs/dbraw/zinc/31/48/68/385314868.db2.gz ZZQAFPWNJXECMF-GRYCIOLGSA-N 2 0 214.353 1.519 20 0 BDADRP CC[N@@H+]1CC[C@@H](NC[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC000154547820 385336527 /nfs/dbraw/zinc/33/65/27/385336527.db2.gz JOZOLLDQHBAEDZ-HZSPNIEDSA-N 2 0 239.407 1.401 20 0 BDADRP Cc1ccnc(N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)c1 ZINC000192801733 385372026 /nfs/dbraw/zinc/37/20/26/385372026.db2.gz CVFHNYYMCDLRCO-QWHCGFSZSA-N 2 0 249.358 1.281 20 0 BDADRP COC1(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CCC1 ZINC000180194278 385384950 /nfs/dbraw/zinc/38/49/50/385384950.db2.gz DENKZZUOTMJVRW-VXGBXAGGSA-N 2 0 226.364 1.628 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)[C@H]1CCCO1 ZINC000309056746 385394744 /nfs/dbraw/zinc/39/47/44/385394744.db2.gz SZAYZEKUDWZWLH-IJLUTSLNSA-N 2 0 214.353 1.484 20 0 BDADRP CSC1(C[NH2+]CC2=CC[N@H+](C)CC2)CC1 ZINC000309082180 385401067 /nfs/dbraw/zinc/40/10/67/385401067.db2.gz RHJXHAZOALTOTH-UHFFFAOYSA-N 2 0 226.389 1.734 20 0 BDADRP CC[C@H]1C[N@H+](Cc2c(C)n[nH]c2C)CC[C@H]1[NH3+] ZINC000647498209 385415416 /nfs/dbraw/zinc/41/54/16/385415416.db2.gz CPAZUZDFDUGZEU-WCQYABFASA-N 2 0 236.363 1.586 20 0 BDADRP C[C@H]([NH3+])c1ccc(C(=O)N(C)CCC[NH3+])cc1 ZINC000644067083 385416187 /nfs/dbraw/zinc/41/61/87/385416187.db2.gz BIBISMVNXGLERA-JTQLQIEISA-N 2 0 235.331 1.127 20 0 BDADRP C[C@H]1CCCC[C@@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000334430281 385420805 /nfs/dbraw/zinc/42/08/05/385420805.db2.gz VADFYAQFQWJMOF-STQMWFEESA-N 2 0 240.391 1.611 20 0 BDADRP CC[C@@H]1CN(C[C@H]2CCC[NH2+]C2)CC[C@H]1[NH3+] ZINC000647499035 385423063 /nfs/dbraw/zinc/42/30/63/385423063.db2.gz XGVWUMHWDYMMJF-YNEHKIRRSA-N 2 0 225.380 1.045 20 0 BDADRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC000194950128 385453674 /nfs/dbraw/zinc/45/36/74/385453674.db2.gz ZUHIRCTYPOUTSQ-VXGBXAGGSA-N 2 0 214.353 1.031 20 0 BDADRP CCC[NH+]1CCC([N@H+](C)C[C@@H](C)OC)CC1 ZINC000182212395 385433120 /nfs/dbraw/zinc/43/31/20/385433120.db2.gz JRSNAEKYGNZJAQ-GFCCVEGCSA-N 2 0 228.380 1.828 20 0 BDADRP Cc1cc[nH+]c(NC[C@@H](C)C[NH+](C)C)c1 ZINC000291675626 385465013 /nfs/dbraw/zinc/46/50/13/385465013.db2.gz DSMGUUAEWNWRQT-LLVKDONJSA-N 2 0 207.321 2.000 20 0 BDADRP COCC[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000405302666 385466370 /nfs/dbraw/zinc/46/63/70/385466370.db2.gz JJYINSDIMXYAOS-GUBZILKMSA-N 2 0 200.326 1.127 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC000161711846 385481336 /nfs/dbraw/zinc/48/13/36/385481336.db2.gz VULVPFOTTLWLPB-ZYHUDNBSSA-N 2 0 205.305 1.251 20 0 BDADRP C[NH2+]Cc1ccccc1NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000644097040 385460554 /nfs/dbraw/zinc/46/05/54/385460554.db2.gz ZETFVIOHGNMYAH-LBPRGKRZSA-N 2 0 247.342 1.343 20 0 BDADRP CC(C)[C@@H]([NH3+])CCN(C)Cc1cc[nH]n1 ZINC000309291448 385513784 /nfs/dbraw/zinc/51/37/84/385513784.db2.gz QHMNZVPWASDIFX-NSHDSACASA-N 2 0 210.325 1.215 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CC(C)(C)CCCO ZINC000309325230 385530499 /nfs/dbraw/zinc/53/04/99/385530499.db2.gz HTSCRDBHFXPEGK-LBPRGKRZSA-N 2 0 230.396 1.892 20 0 BDADRP Cc1noc(C)c1CN1CC[C@H](C[NH+](C)C)C1 ZINC000172197451 385532283 /nfs/dbraw/zinc/53/22/83/385532283.db2.gz CYVDMPJJGVCFPU-GFCCVEGCSA-N 2 0 237.347 1.675 20 0 BDADRP CC[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)OC ZINC000309333886 385535570 /nfs/dbraw/zinc/53/55/70/385535570.db2.gz JSBCADISTXRFTC-YVECIDJPSA-N 2 0 228.380 1.730 20 0 BDADRP CC[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)OC ZINC000309333880 385535962 /nfs/dbraw/zinc/53/59/62/385535962.db2.gz JSBCADISTXRFTC-FDYHWXHSSA-N 2 0 228.380 1.730 20 0 BDADRP CCC[N@H+](C[C@@H](O)CN(C)C1CC1)C1CC1 ZINC000309405880 385572562 /nfs/dbraw/zinc/57/25/62/385572562.db2.gz JPQJUABNSPOYGW-ZDUSSCGKSA-N 2 0 226.364 1.316 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccccc1N(C)C ZINC000414848393 385614141 /nfs/dbraw/zinc/61/41/41/385614141.db2.gz WWYJCGJVOUUEBC-GFCCVEGCSA-N 2 0 235.375 1.698 20 0 BDADRP C(N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000414849490 385623375 /nfs/dbraw/zinc/62/33/75/385623375.db2.gz RIHZYAPFFZASKR-RFQIPJPRSA-N 2 0 237.391 1.249 20 0 BDADRP CC(C)[C@H](CCO)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000336677713 385611292 /nfs/dbraw/zinc/61/12/92/385611292.db2.gz QGYAWMPBCJDWMX-STQMWFEESA-N 2 0 228.380 1.467 20 0 BDADRP CC1(C)CC([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000309517035 385649163 /nfs/dbraw/zinc/64/91/63/385649163.db2.gz YYRHCJVNMARZHG-LBPRGKRZSA-N 2 0 226.364 1.221 20 0 BDADRP CC(C)c1ccc([C@@H]([NH3+])CN[C@@H]2CC[NH2+]C2)cc1 ZINC000414851329 385653190 /nfs/dbraw/zinc/65/31/90/385653190.db2.gz UBEGVIBWKDFRQI-CABCVRRESA-N 2 0 247.386 1.761 20 0 BDADRP [NH3+]C[C@@H](NC1CC[NH2+]CC1)C1CCCCC1 ZINC000414856742 385717266 /nfs/dbraw/zinc/71/72/66/385717266.db2.gz ZKYSFWCKGHCZDG-CYBMUJFWSA-N 3 0 225.380 1.236 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000336685404 385691723 /nfs/dbraw/zinc/69/17/23/385691723.db2.gz UDIFBPHYQAVZLN-AGIUHOORSA-N 2 0 228.380 1.181 20 0 BDADRP C[NH2+]C[C@H](C)CN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000414855126 385698878 /nfs/dbraw/zinc/69/88/78/385698878.db2.gz WHEALRPBFKISBH-MJBXVCDLSA-N 2 0 241.423 1.742 20 0 BDADRP COC[C@H]([NH2+][C@H](C)CCC[NH3+])C(C)C ZINC000336688943 385708447 /nfs/dbraw/zinc/70/84/47/385708447.db2.gz NXYKAXWBQGAGET-MNOVXSKESA-N 2 0 202.342 1.374 20 0 BDADRP CC[N@@H+]1CC[C@H](NC[C@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000414851822 385666678 /nfs/dbraw/zinc/66/66/78/385666678.db2.gz VFMZKFZZWGPJIP-XQQFMLRXSA-N 2 0 225.380 1.058 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000336734380 385667096 /nfs/dbraw/zinc/66/70/96/385667096.db2.gz KWFXWXMJGSRBQV-AVGNSLFASA-N 2 0 228.380 1.610 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCCCF ZINC000336684387 385671533 /nfs/dbraw/zinc/67/15/33/385671533.db2.gz JYCNMLCZLYNURH-GHMZBOCLSA-N 2 0 202.317 1.843 20 0 BDADRP CC[NH+]1CCC(N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000128524711 385732093 /nfs/dbraw/zinc/73/20/93/385732093.db2.gz DOMINLNBDMUOLY-OCCSQVGLSA-N 3 0 239.407 1.543 20 0 BDADRP Fc1cccnc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647794156 385733831 /nfs/dbraw/zinc/73/38/31/385733831.db2.gz SEDCIVXFVBRMFH-QJPTWQEYSA-N 2 0 249.333 1.698 20 0 BDADRP C[NH2+]CCCN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000414858214 385733876 /nfs/dbraw/zinc/73/38/76/385733876.db2.gz IDOQGPVIYPIDLP-LSDHHAIUSA-N 2 0 247.386 1.679 20 0 BDADRP OC1CC(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647794838 385739241 /nfs/dbraw/zinc/73/92/41/385739241.db2.gz DKUGTGANBWPRTB-DEULPLRUSA-N 2 0 238.375 1.125 20 0 BDADRP [NH3+]C1(CNC[C@@H]2CCC[NH2+]C2)CCCCCC1 ZINC000414859096 385741515 /nfs/dbraw/zinc/74/15/15/385741515.db2.gz MBMZTBGFACCOFL-CYBMUJFWSA-N 2 0 239.407 1.627 20 0 BDADRP CCC[C@H](CC)[NH2+]CCN1CC[NH2+]CC1 ZINC000414860971 385742927 /nfs/dbraw/zinc/74/29/27/385742927.db2.gz DONAVEZBFYMXGF-LBPRGKRZSA-N 2 0 213.369 1.060 20 0 BDADRP CCC[C@@H](CC)[NH2+]CCN1CC[NH2+]CC1 ZINC000414860800 385743548 /nfs/dbraw/zinc/74/35/48/385743548.db2.gz DONAVEZBFYMXGF-GFCCVEGCSA-N 2 0 213.369 1.060 20 0 BDADRP C[NH2+]CCC[NH2+][C@H](C)Cc1ccn(C(C)C)n1 ZINC000414862109 385750866 /nfs/dbraw/zinc/75/08/66/385750866.db2.gz URONPVACUARYSW-GFCCVEGCSA-N 2 0 238.379 1.594 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000336697890 385751286 /nfs/dbraw/zinc/75/12/86/385751286.db2.gz OLFKXRNXOJTZMJ-UTUOFQBUSA-N 2 0 214.353 1.255 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@H]1CCCC[C@H]1O ZINC000336697888 385751291 /nfs/dbraw/zinc/75/12/91/385751291.db2.gz OLFKXRNXOJTZMJ-IJLUTSLNSA-N 2 0 214.353 1.255 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@H](C)N(C)C1CC1 ZINC000336698836 385752393 /nfs/dbraw/zinc/75/23/93/385752393.db2.gz ORYSESUMIAPJPL-MNOVXSKESA-N 2 0 213.369 1.186 20 0 BDADRP C[NH2+]Cc1cccc(NC[C@@]2(C)CC[NH2+]C2)c1 ZINC000414862559 385755851 /nfs/dbraw/zinc/75/58/51/385755851.db2.gz HPGZFGJTQSDPFV-AWEZNQCLSA-N 2 0 233.359 1.818 20 0 BDADRP CCC(CC)(C[NH3+])C(=O)NCCC[NH2+]C(C)C ZINC000647761743 385762497 /nfs/dbraw/zinc/76/24/97/385762497.db2.gz REWIGUNTWLQWTD-UHFFFAOYSA-N 2 0 243.395 1.256 20 0 BDADRP Cc1ncsc1C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414865962 385772815 /nfs/dbraw/zinc/77/28/15/385772815.db2.gz ZZQBPJJZIOCTRR-KOLCDFICSA-N 2 0 239.388 1.929 20 0 BDADRP CO[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000309665075 385776255 /nfs/dbraw/zinc/77/62/55/385776255.db2.gz SXJQCWPLRJPNCF-YVECIDJPSA-N 2 0 226.364 1.484 20 0 BDADRP C1CC12C[C@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647799760 385802575 /nfs/dbraw/zinc/80/25/75/385802575.db2.gz QAPFBKGPYJKPJE-WRWGMCAJSA-N 2 0 206.333 1.517 20 0 BDADRP COC[C@]1(C[NH2+][C@H]2CC[C@H](C)C2)CCC[NH2+]1 ZINC000414947989 385804628 /nfs/dbraw/zinc/80/46/28/385804628.db2.gz WIWVGQCLRHRCKK-RWMBFGLXSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])CC(F)F ZINC000647801586 385811367 /nfs/dbraw/zinc/81/13/67/385811367.db2.gz YRNQFLREZYXPHN-HRDYMLBCSA-N 2 0 208.296 1.993 20 0 BDADRP Cc1noc(C)c1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000337928632 385827345 /nfs/dbraw/zinc/82/73/45/385827345.db2.gz RDPZURAOXHKEBH-LBPRGKRZSA-N 2 0 237.347 1.913 20 0 BDADRP CC[NH2+][C@H](C)CN[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000414954778 385829526 /nfs/dbraw/zinc/82/95/26/385829526.db2.gz KWAQZSLNWXVIPT-UPJWGTAASA-N 2 0 227.396 1.304 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414954515 385829840 /nfs/dbraw/zinc/82/98/40/385829840.db2.gz SQMYNBHJRWLREK-SDDRHHMPSA-N 2 0 213.369 1.090 20 0 BDADRP CCSCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228473647 385839556 /nfs/dbraw/zinc/83/95/56/385839556.db2.gz POBWIWIYIVEXOM-QJPTWQEYSA-N 2 0 228.405 1.799 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CC1CCC(F)CC1 ZINC000647804576 385840291 /nfs/dbraw/zinc/84/02/91/385840291.db2.gz VBZVMJWSCTXGHJ-MMVSWEMESA-N 2 0 214.328 1.984 20 0 BDADRP COCCNCC[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000414867153 385791756 /nfs/dbraw/zinc/79/17/56/385791756.db2.gz BPUDJJYMXKEWEX-RYUDHWBXSA-N 2 0 228.380 1.637 20 0 BDADRP COCCNCC[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000414867154 385792472 /nfs/dbraw/zinc/79/24/72/385792472.db2.gz BPUDJJYMXKEWEX-VXGBXAGGSA-N 2 0 228.380 1.637 20 0 BDADRP CC[C@@H](C)N(C)CC[NH2+][C@@H](C)CCC[NH3+] ZINC000336707095 385792501 /nfs/dbraw/zinc/79/25/01/385792501.db2.gz RQNLHBWNTRNUCV-NWDGAFQWSA-N 2 0 215.385 1.434 20 0 BDADRP C1[NH2+]C[C@H]2C[C@H]([NH2+][C@H]3CCCOC3)CC[C@H]12 ZINC000647798152 385792673 /nfs/dbraw/zinc/79/26/73/385792673.db2.gz MOVFYQAHRIOBOL-LPWJVIDDSA-N 2 0 224.348 1.143 20 0 BDADRP CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647799200 385797428 /nfs/dbraw/zinc/79/74/28/385797428.db2.gz AORPPJALBMNDNE-MRTXSQPYSA-N 2 0 238.375 1.532 20 0 BDADRP C1C[NH2+][C@@H]([C@@H]2CCC[C@H]2N[C@@H]2CCC[NH2+]C2)C1 ZINC000414874206 385883749 /nfs/dbraw/zinc/88/37/49/385883749.db2.gz YTDYZJWSLIKSCR-XJFOESAGSA-N 2 0 237.391 1.249 20 0 BDADRP COC[C@]1(C[NH2+][C@@H](C)C2CCC2)CCC[NH2+]1 ZINC000414962411 385891832 /nfs/dbraw/zinc/89/18/32/385891832.db2.gz WBCDHRZYYSKBCY-WCQYABFASA-N 2 0 226.364 1.533 20 0 BDADRP CC(C)([NH3+])CNC[C@H]1[NH2+]CCc2ccccc21 ZINC000414963348 385896037 /nfs/dbraw/zinc/89/60/37/385896037.db2.gz XHOKMKUGTHGGAR-CYBMUJFWSA-N 2 0 233.359 1.200 20 0 BDADRP Cc1ncsc1C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000335037208 385929067 /nfs/dbraw/zinc/92/90/67/385929067.db2.gz BAALJJWNPQJGRP-ONGXEEELSA-N 2 0 239.388 1.929 20 0 BDADRP CN(CC[NH2+]CC1([NH3+])CCC1)c1ccccc1 ZINC000342114230 385929258 /nfs/dbraw/zinc/92/92/58/385929258.db2.gz BXNFVXSDTBRCPQ-UHFFFAOYSA-N 2 0 233.359 1.594 20 0 BDADRP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@@H]1CCCCO1 ZINC000308880158 385903239 /nfs/dbraw/zinc/90/32/39/385903239.db2.gz VLCJCVCNJPKBNV-NWDGAFQWSA-N 2 0 214.353 1.519 20 0 BDADRP CC[C@H]1C[C@H](C[NH2+]CC2([NH3+])CCC2)CCO1 ZINC000414876168 385905394 /nfs/dbraw/zinc/90/53/94/385905394.db2.gz KWELMALXZXHYBZ-NEPJUHHUSA-N 2 0 226.364 1.663 20 0 BDADRP CC(C)(C)[NH+]1CCC(NCC2([NH3+])CCC2)CC1 ZINC000414876012 385907183 /nfs/dbraw/zinc/90/71/83/385907183.db2.gz KQLJLDRAAOFYKW-UHFFFAOYSA-N 2 0 239.407 1.720 20 0 BDADRP C[C@H](CC[NH3+])[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000414876664 385913375 /nfs/dbraw/zinc/91/33/75/385913375.db2.gz DTCLYQILRGFBRK-GFCCVEGCSA-N 2 0 244.342 1.699 20 0 BDADRP CCC[NH2+]CCN[C@H](C)C[C@H]1CCC[NH2+]1 ZINC000414877522 385920784 /nfs/dbraw/zinc/92/07/84/385920784.db2.gz XSROFRYVVLSFBW-VXGBXAGGSA-N 2 0 213.369 1.106 20 0 BDADRP C[NH+]1CCC(O)(C[NH2+]CCC(C)(C)C)CC1 ZINC000336767605 385924816 /nfs/dbraw/zinc/92/48/16/385924816.db2.gz PUDUYEQFALHKQQ-UHFFFAOYSA-N 2 0 228.380 1.469 20 0 BDADRP CC[C@@H](C(=O)NCCC[N@H+](C)C(C)C)[NH+](C)C ZINC000338209148 385925639 /nfs/dbraw/zinc/92/56/39/385925639.db2.gz ZYFABLHBOXAQHC-LBPRGKRZSA-N 2 0 243.395 1.173 20 0 BDADRP [NH3+][C@@H]1CCCN(CCCC2CC[NH2+]CC2)C1 ZINC000647814501 385868532 /nfs/dbraw/zinc/86/85/32/385868532.db2.gz QVKJFKOUHOARHJ-CYBMUJFWSA-N 2 0 225.380 1.189 20 0 BDADRP COC[C@@]1(C[NH2+]C2CC(C)C2)CCC[NH2+]1 ZINC000414959267 385874449 /nfs/dbraw/zinc/87/44/49/385874449.db2.gz SFMGQWWDIXDBCQ-MCIGGMRASA-N 2 0 212.337 1.143 20 0 BDADRP Cc1ccc(CCC[NH2+]CC2([NH3+])CCC2)cn1 ZINC000414873390 385874907 /nfs/dbraw/zinc/87/49/07/385874907.db2.gz HEJXNGMZSAIUJO-UHFFFAOYSA-N 2 0 233.359 1.794 20 0 BDADRP CCN(C)c1ccc(C[NH2+]C[C@H](C)C[NH3+])cn1 ZINC000414877823 385928352 /nfs/dbraw/zinc/92/83/52/385928352.db2.gz NIDPNQWAZBLIIC-LLVKDONJSA-N 2 0 236.363 1.222 20 0 BDADRP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000335019579 385978599 /nfs/dbraw/zinc/97/85/99/385978599.db2.gz QQGXLVOFWDMUNC-WCQYABFASA-N 2 0 248.374 1.387 20 0 BDADRP [NH3+][C@H]1C[C@@H](NCC2([NH3+])CCC2)c2ccccc21 ZINC000335021060 385980314 /nfs/dbraw/zinc/98/03/14/385980314.db2.gz AHAOCIVFKAPIHF-QWHCGFSZSA-N 2 0 231.343 1.602 20 0 BDADRP C[C@H]1CC[NH2+]C[C@@H]1NC1CC[NH+](C2CC2)CC1 ZINC000335022369 385982597 /nfs/dbraw/zinc/98/25/97/385982597.db2.gz DHQVVKHQHURMHJ-FZMZJTMJSA-N 2 0 237.391 1.201 20 0 BDADRP CC(C)[C@H]([NH3+])CNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000295202331 385991033 /nfs/dbraw/zinc/99/10/33/385991033.db2.gz PFQDQGSXCWZQES-CHWSQXEVSA-N 2 0 249.358 1.176 20 0 BDADRP Cc1cc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)nn1C ZINC000414971884 385991304 /nfs/dbraw/zinc/99/13/04/385991304.db2.gz WZLGDIUZXBDSIW-GFCCVEGCSA-N 2 0 236.363 1.350 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](OC)C2CC2)C1 ZINC000425417306 385992353 /nfs/dbraw/zinc/99/23/53/385992353.db2.gz HKGOQSWKQQNBCI-JSGCOSHPSA-N 2 0 240.391 1.685 20 0 BDADRP COc1ccncc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000311017040 385938984 /nfs/dbraw/zinc/93/89/84/385938984.db2.gz NFQDJGYETHHIGC-LBPRGKRZSA-N 2 0 249.358 1.651 20 0 BDADRP CC[C@H]1C[N@H+](CCC[NH+](CC)CC)C[C@H]1O ZINC000338281812 385945709 /nfs/dbraw/zinc/94/57/09/385945709.db2.gz UUERCYVASRXGTR-QWHCGFSZSA-N 2 0 228.380 1.421 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+]CC[C@@H]1CCOC1 ZINC000414967502 385948041 /nfs/dbraw/zinc/94/80/41/385948041.db2.gz XKKYVTLCQAKNHQ-GHMZBOCLSA-N 2 0 200.326 1.001 20 0 BDADRP C[C@@H](C[NH2+][C@@H](C)[C@H]1C[C@H]1C)N1CC[NH+](C)CC1 ZINC000414082117 385952583 /nfs/dbraw/zinc/95/25/83/385952583.db2.gz FKLUWPPMLMVCIU-RFGFWPKPSA-N 2 0 239.407 1.256 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000338304869 385953612 /nfs/dbraw/zinc/95/36/12/385953612.db2.gz PWNPPOMHRFFMGI-BFHYXJOUSA-N 2 0 240.391 1.421 20 0 BDADRP C1CCC([N@@H+]2CC[C@H](NC3CC[NH2+]CC3)C2)C1 ZINC000335055976 385956377 /nfs/dbraw/zinc/95/63/77/385956377.db2.gz TZOWCDVXEOVSGY-ZDUSSCGKSA-N 2 0 237.391 1.345 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CC[C@@](O)(CC)C1 ZINC000338326537 385959103 /nfs/dbraw/zinc/95/91/03/385959103.db2.gz ZWYKXIJERRAEEA-ZDUSSCGKSA-N 2 0 228.380 1.565 20 0 BDADRP C(CN1CC[NH2+]CC1)[NH2+][C@@H]1CCC[C@@H]1C1CC1 ZINC000414882820 386008228 /nfs/dbraw/zinc/00/82/28/386008228.db2.gz MUFJJRJGVNVDKB-ZIAGYGMSSA-N 2 0 237.391 1.060 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000414881912 386008648 /nfs/dbraw/zinc/00/86/48/386008648.db2.gz SWXPXMLKOQILFC-LURJTMIESA-N 2 0 236.241 1.113 20 0 BDADRP Cc1nc(C)c(CN[C@H](C)CC[NH+](C)C)o1 ZINC000309452137 386012628 /nfs/dbraw/zinc/01/26/28/386012628.db2.gz QDWHCFCSJUAKMU-SECBINFHSA-N 2 0 225.336 1.721 20 0 BDADRP COC1(C[NH2+]C[C@H]2CCC[NH2+]C2)CCCC1 ZINC000309487795 386013109 /nfs/dbraw/zinc/01/31/09/386013109.db2.gz HFCDPPYBLPNEHH-LBPRGKRZSA-N 2 0 226.364 1.535 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cn[nH]c1 ZINC000414169568 386016299 /nfs/dbraw/zinc/01/62/99/386016299.db2.gz BHCZEOUWFFXTTN-RYUDHWBXSA-N 2 0 236.363 1.792 20 0 BDADRP C[C@@H]([NH2+]CCCC[NH+](C)C)C1CCOCC1 ZINC000336752656 386018958 /nfs/dbraw/zinc/01/89/58/386018958.db2.gz VYAKQEMAMXXWAW-GFCCVEGCSA-N 2 0 228.380 1.733 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@@H]1C)C(C)(C)O ZINC000340503789 386030521 /nfs/dbraw/zinc/03/05/21/386030521.db2.gz PFHIAGGGCDURBL-UHTWSYAYSA-N 2 0 240.391 1.608 20 0 BDADRP CC[C@H]([NH3+])C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000414980160 386052875 /nfs/dbraw/zinc/05/28/75/386052875.db2.gz PFJCIBIUFSZROT-ZDUSSCGKSA-N 2 0 247.386 1.982 20 0 BDADRP CC(C)[N@H+](C)CCNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000054133397 386109495 /nfs/dbraw/zinc/10/94/95/386109495.db2.gz QKFJKASCUZWUNX-CYBMUJFWSA-N 2 0 249.358 1.143 20 0 BDADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414666730 386111618 /nfs/dbraw/zinc/11/16/18/386111618.db2.gz XFCZHWSMNZFQTK-XQHKEYJVSA-N 3 0 225.380 1.044 20 0 BDADRP Cc1ccnc(N(C)CC[N@H+](C)C2CC2)c1 ZINC000274526566 386114764 /nfs/dbraw/zinc/11/47/64/386114764.db2.gz XTLDYSZGEANSQP-UHFFFAOYSA-N 2 0 219.332 1.920 20 0 BDADRP C[C@H](N)[C@H]1CCCC[N@@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414648777 386065044 /nfs/dbraw/zinc/06/50/44/386065044.db2.gz BKOGQHNLHCOEAR-XJFOESAGSA-N 2 0 239.407 1.576 20 0 BDADRP C[NH2+]C[C@H]1CCCN1CC[NH2+]C(C)(C)C ZINC000414667705 386122086 /nfs/dbraw/zinc/12/20/86/386122086.db2.gz YPNAJAONOSAKSC-LLVKDONJSA-N 2 0 213.369 1.058 20 0 BDADRP CC[C@@H]([NH3+])CNC1CC[NH+](C(C)(C)C)CC1 ZINC000414981680 386068378 /nfs/dbraw/zinc/06/83/78/386068378.db2.gz QXTBAVYFMASTEN-LLVKDONJSA-N 2 0 227.396 1.576 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CCC(C[NH3+])CC1 ZINC000414651100 386071044 /nfs/dbraw/zinc/07/10/44/386071044.db2.gz DZTHQEMMLXQHET-GFCCVEGCSA-N 2 0 213.369 1.031 20 0 BDADRP C[C@H]1C[C@H](CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC000414652655 386074926 /nfs/dbraw/zinc/07/49/26/386074926.db2.gz DQNVBGDMMDFUER-DGAVXFQQSA-N 3 0 237.391 1.201 20 0 BDADRP C[C@@H]1C[C@H](CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC000414652660 386075024 /nfs/dbraw/zinc/07/50/24/386075024.db2.gz DQNVBGDMMDFUER-SYQHCUMBSA-N 3 0 237.391 1.201 20 0 BDADRP CCC[C@@H]1CNCC[N@@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414657333 386086210 /nfs/dbraw/zinc/08/62/10/386086210.db2.gz HQLPRJHTQKPQBF-MGPQQGTHSA-N 2 0 239.407 1.448 20 0 BDADRP C[NH2+]C[C@@H]1CCCN1CC[NH2+]C(C)(C)C ZINC000414667706 386123066 /nfs/dbraw/zinc/12/30/66/386123066.db2.gz YPNAJAONOSAKSC-NSHDSACASA-N 2 0 213.369 1.058 20 0 BDADRP C[C@@H]1C[C@@H](C[N@H+](C)CC(C)(C)C[NH3+])CC[NH2+]1 ZINC000414663325 386096711 /nfs/dbraw/zinc/09/67/11/386096711.db2.gz REEHECCYABFRJY-NEPJUHHUSA-N 3 0 227.396 1.291 20 0 BDADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414662390 386099636 /nfs/dbraw/zinc/09/96/36/386099636.db2.gz QAZJXZJSRPKKFN-MCIONIFRSA-N 3 0 241.423 1.680 20 0 BDADRP C[C@@H](CC1CCOCC1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000414888476 386099970 /nfs/dbraw/zinc/09/99/70/386099970.db2.gz RYSISNKGZQHSDP-CMPLNLGQSA-N 2 0 212.337 1.143 20 0 BDADRP COC(=O)[C@@H]1CCC[N@@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414673858 386145940 /nfs/dbraw/zinc/14/59/40/386145940.db2.gz CZLBAFWGFWMELO-SRVKXCTJSA-N 2 0 240.347 1.012 20 0 BDADRP CC(C)C[C@H]([NH3+])C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000414676375 386150580 /nfs/dbraw/zinc/15/05/80/386150580.db2.gz NEZXYDIWUDHEQX-OLZOCXBDSA-N 2 0 240.391 1.861 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000414677160 386152967 /nfs/dbraw/zinc/15/29/67/386152967.db2.gz WHEPAYPGHICTJY-RVMXOQNASA-N 2 0 225.380 1.029 20 0 BDADRP C[C@@H]1C[NH+](C[C@@H]2CC[NH2+][C@H](C)C2)C[C@@H](C)N1 ZINC000414675694 386154367 /nfs/dbraw/zinc/15/43/67/386154367.db2.gz RGYUSMPTSWLZNS-FDYHWXHSSA-N 2 0 225.380 1.057 20 0 BDADRP CCCCC[N@H+](CCO)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414681579 386164956 /nfs/dbraw/zinc/16/49/56/386164956.db2.gz PMNUNKUQHNOXFW-KBPBESRZSA-N 2 0 242.407 1.859 20 0 BDADRP Cc1nn(C)cc1C[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000414995795 386178913 /nfs/dbraw/zinc/17/89/13/386178913.db2.gz NXOKVBYOGQAQTB-AAEUAGOBSA-N 2 0 236.363 1.336 20 0 BDADRP Cc1nn(C)cc1C[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414995801 386179714 /nfs/dbraw/zinc/17/97/14/386179714.db2.gz NXOKVBYOGQAQTB-WCQYABFASA-N 2 0 236.363 1.336 20 0 BDADRP CO[C@@](C)(C[NH2+]CC1CC[NH+](C)CC1)C1CC1 ZINC000310437077 386185530 /nfs/dbraw/zinc/18/55/30/386185530.db2.gz UUHYYJQKXFDLAP-AWEZNQCLSA-N 2 0 240.391 1.733 20 0 BDADRP CCn1nc(C)c(C[NH2+][C@H](C)CC[NH3+])c1C ZINC000414890615 386124765 /nfs/dbraw/zinc/12/47/65/386124765.db2.gz UGWMEUQBBUEMOX-SECBINFHSA-N 2 0 224.352 1.347 20 0 BDADRP [NH3+][C@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)C1CC1 ZINC000414890728 386130610 /nfs/dbraw/zinc/13/06/10/386130610.db2.gz MZTXKRQNDJWUAF-FDYHWXHSSA-N 2 0 236.359 1.271 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCCOCC1 ZINC000414988399 386133580 /nfs/dbraw/zinc/13/35/80/386133580.db2.gz FUKADOYKULMPAE-VZANTVGXSA-N 2 0 238.375 1.661 20 0 BDADRP Cc1n[nH]c(C)c1C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414989934 386138458 /nfs/dbraw/zinc/13/84/58/386138458.db2.gz HYNYKUVFMXFHEA-VXGBXAGGSA-N 2 0 236.363 1.634 20 0 BDADRP C[C@H](CC[NH3+])N[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000414896362 386202001 /nfs/dbraw/zinc/20/20/01/386202001.db2.gz OTFCADZBZYRUQI-YUELXQCFSA-N 2 0 247.386 1.807 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])CN1CC(=O)Nc1ccccc1 ZINC000131603673 386211325 /nfs/dbraw/zinc/21/13/25/386211325.db2.gz NUVYKOBCHUWADO-VXGBXAGGSA-N 2 0 247.342 1.294 20 0 BDADRP CC(C)CO[C@H]1CC[N@H+](CCC[NH3+])C1 ZINC000414704123 386213706 /nfs/dbraw/zinc/21/37/06/386213706.db2.gz JJCHJLRXZOYJGI-NSHDSACASA-N 2 0 200.326 1.082 20 0 BDADRP C[N@H+](CCC[NH3+])[C@H](CCO)c1ccccc1 ZINC000414703690 386214422 /nfs/dbraw/zinc/21/44/22/386214422.db2.gz MPVJUGPCYDQBBW-CYBMUJFWSA-N 2 0 222.332 1.391 20 0 BDADRP CC(C)c1noc(CN2C[C@H](C[NH3+])C[C@H]2C)n1 ZINC000131644382 386214589 /nfs/dbraw/zinc/21/45/89/386214589.db2.gz HZXBHQIWNGMGAE-ZJUUUORDSA-N 2 0 238.335 1.362 20 0 BDADRP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000343190328 386216766 /nfs/dbraw/zinc/21/67/66/386216766.db2.gz DQGVDMRAXZQENV-MRVWCRGKSA-N 2 0 246.354 1.530 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCCOC2)c2ccccc21 ZINC000132109668 386219892 /nfs/dbraw/zinc/21/98/92/386219892.db2.gz KUXJKMIIFIGTHT-LERXQTSPSA-N 2 0 232.327 1.900 20 0 BDADRP COC(=O)[C@H](C)C[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414709763 386224553 /nfs/dbraw/zinc/22/45/53/386224553.db2.gz RSYWBFLFOLDZAF-IJLUTSLNSA-N 2 0 242.363 1.115 20 0 BDADRP C[C@H](CC1CCOCC1)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000347038902 386225514 /nfs/dbraw/zinc/22/55/14/386225514.db2.gz IYWPGSUJJUDAEK-OCCSQVGLSA-N 2 0 240.391 1.720 20 0 BDADRP [NH3+]CCC[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000414713011 386229963 /nfs/dbraw/zinc/22/99/63/386229963.db2.gz VCTCVEXDXCKAIY-AWEZNQCLSA-N 2 0 233.359 1.912 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CC[N@H+](C)C[C@@H]1C(C)C ZINC000414712234 386230156 /nfs/dbraw/zinc/23/01/56/386230156.db2.gz NLWURXDSBDBKEV-ZIAGYGMSSA-N 2 0 241.423 1.632 20 0 BDADRP CC[C@@H]1C[C@H](C[N@@H+]2CC[C@H](C[NH3+])C2)CCO1 ZINC000347114101 386231243 /nfs/dbraw/zinc/23/12/43/386231243.db2.gz SDCDJROLUDYZCO-JHJVBQTASA-N 2 0 226.364 1.472 20 0 BDADRP CC[C@@H]1C[C@@H](C[N@@H+]2CC[C@H](C[NH3+])C2)CCO1 ZINC000347114103 386231265 /nfs/dbraw/zinc/23/12/65/386231265.db2.gz SDCDJROLUDYZCO-YNEHKIRRSA-N 2 0 226.364 1.472 20 0 BDADRP C[C@@H](Cn1cccn1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414898582 386231363 /nfs/dbraw/zinc/23/13/63/386231363.db2.gz GJDCNHINQSTRAA-LBPRGKRZSA-N 2 0 236.363 1.251 20 0 BDADRP C[C@H]1C[C@@H](C[NH2+]CC2(C)CC[NH2+]CC2)CC[NH2+]1 ZINC000414898554 386234910 /nfs/dbraw/zinc/23/49/10/386234910.db2.gz GFXMMBIKUHTOER-STQMWFEESA-N 3 0 239.407 1.354 20 0 BDADRP C[C@H]1C[C@@H](C[N@H+](C)Cc2ccon2)CC[NH2+]1 ZINC000414717201 386240450 /nfs/dbraw/zinc/24/04/50/386240450.db2.gz XVPCDMSEZGUSQJ-QWRGUYRKSA-N 2 0 223.320 1.495 20 0 BDADRP Cc1ccncc1C[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415002810 386249308 /nfs/dbraw/zinc/24/93/08/386249308.db2.gz MMOVOKVKSONJHD-GXTWGEPZSA-N 2 0 233.359 1.997 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](CC[C@H](C)O)C1 ZINC000336645524 386252818 /nfs/dbraw/zinc/25/28/18/386252818.db2.gz IBWQEJSMLWCNPN-RYUDHWBXSA-N 2 0 214.353 1.031 20 0 BDADRP C[C@H](c1cccnc1)N1CCc2nc[nH]c2C1 ZINC000647932890 386252959 /nfs/dbraw/zinc/25/29/59/386252959.db2.gz UEDKYQRJWZNXMD-SNVBAGLBSA-N 2 0 228.299 1.924 20 0 BDADRP CN(C)c1ccccc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000347147847 386261308 /nfs/dbraw/zinc/26/13/08/386261308.db2.gz YSCJKSTVAPSGMT-LBPRGKRZSA-N 2 0 233.359 1.533 20 0 BDADRP COc1ccccc1C[C@H](C)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414895757 386193654 /nfs/dbraw/zinc/19/36/54/386193654.db2.gz ZIHUCSRHJOKJFJ-FZMZJTMJSA-N 2 0 248.370 1.953 20 0 BDADRP C[C@@H]1C[C@@H](C[N@H+](C)[C@H](CO)C(C)(C)C)CC[NH2+]1 ZINC000414698589 386199396 /nfs/dbraw/zinc/19/93/96/386199396.db2.gz DFNABZFIMCPKBT-FRRDWIJNSA-N 2 0 242.407 1.713 20 0 BDADRP C[C@H](O)CC[N@H+](C)CCCC1CC[NH2+]CC1 ZINC000647885959 386291700 /nfs/dbraw/zinc/29/17/00/386291700.db2.gz VKNNCDMRGBXQDK-LBPRGKRZSA-N 2 0 228.380 1.469 20 0 BDADRP c1ccc(CN(C[C@H]2CC[NH2+]C2)C2CC2)nc1 ZINC000647988142 386294360 /nfs/dbraw/zinc/29/43/60/386294360.db2.gz UKMPTQBEBNZWTQ-LBPRGKRZSA-N 2 0 231.343 1.656 20 0 BDADRP CC(C)(C)[C@@H](CN)[NH2+]CCCC1CC[NH2+]CC1 ZINC000647988166 386294442 /nfs/dbraw/zinc/29/44/42/386294442.db2.gz YRYAAJNEKPAVGK-CYBMUJFWSA-N 3 0 241.423 1.729 20 0 BDADRP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000414734435 386300400 /nfs/dbraw/zinc/30/04/00/386300400.db2.gz DWGLUNKDVXNYLK-IHRRRGAJSA-N 2 0 240.391 1.718 20 0 BDADRP C([C@H]1CCC[NH2+]C1)[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000336197907 386315800 /nfs/dbraw/zinc/31/58/00/386315800.db2.gz RFNXHASTPNTHEE-STQMWFEESA-N 2 0 224.348 1.098 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](CC[NH3+])C2)CC[NH2+]1 ZINC000414738238 386317018 /nfs/dbraw/zinc/31/70/18/386317018.db2.gz OZIVJDRQYZYFRZ-MGPQQGTHSA-N 3 0 239.407 1.435 20 0 BDADRP Cc1ccc(O)c(C[N@@H+]2CCC[C@H](CC[NH3+])C2)n1 ZINC000091996155 386319583 /nfs/dbraw/zinc/31/95/83/386319583.db2.gz UOXRDKKKQCSWLW-GFCCVEGCSA-N 2 0 249.358 1.656 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+][C@@H](CO)C(C)(C)C ZINC000414740869 386321438 /nfs/dbraw/zinc/32/14/38/386321438.db2.gz LTPVTFIAHSONKH-QWRGUYRKSA-N 2 0 216.369 1.356 20 0 BDADRP CC(C)(CO)CC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000331925643 386265931 /nfs/dbraw/zinc/26/59/31/386265931.db2.gz VPCRBJUDZBKWHD-NEPJUHHUSA-N 2 0 228.380 1.645 20 0 BDADRP CCCN(C[C@@H]1CCC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000347178104 386269733 /nfs/dbraw/zinc/26/97/33/386269733.db2.gz SETMQKIPOBXYHN-CHWSQXEVSA-N 2 0 225.380 1.060 20 0 BDADRP C([C@H]1CC[NH2+]C1)[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000647888188 386340871 /nfs/dbraw/zinc/34/08/71/386340871.db2.gz YBGXHYDCAGNJES-UONOGXRCSA-N 2 0 238.375 1.489 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)C2(C)C[NH2+]C2)c1 ZINC000335277678 386343158 /nfs/dbraw/zinc/34/31/58/386343158.db2.gz SEYCODDDPUQVTR-UHFFFAOYSA-N 2 0 233.315 1.002 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@H]2CCCC[NH2+]C2)CC1 ZINC000335267498 386349108 /nfs/dbraw/zinc/34/91/08/386349108.db2.gz IMIZGINQKBORCD-BPCQOVAHSA-N 3 0 225.380 1.236 20 0 BDADRP C[C@H]1C[C@@H](C[N@H+](C)CCCCCO)CC[NH2+]1 ZINC000414745582 386351416 /nfs/dbraw/zinc/35/14/16/386351416.db2.gz PMGALBBFCDOWLC-STQMWFEESA-N 2 0 228.380 1.469 20 0 BDADRP CC[C@@]1(CO)CCC[N@@H+]1C[C@H]([NH3+])CC(C)C ZINC000414748369 386351915 /nfs/dbraw/zinc/35/19/15/386351915.db2.gz WMSZJUAFTFGPQP-OLZOCXBDSA-N 2 0 228.380 1.597 20 0 BDADRP C(C[C@H]1CCC[NH2+]1)[NH2+]C[C@@H]1CCSC1 ZINC000414904838 386354488 /nfs/dbraw/zinc/35/44/88/386354488.db2.gz MCUPOEFMNXWDKD-WDEREUQCSA-N 2 0 214.378 1.471 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000331966787 386361608 /nfs/dbraw/zinc/36/16/08/386361608.db2.gz KYLSMSPCRIIFFL-TUAOUCFPSA-N 2 0 213.369 1.219 20 0 BDADRP CO[C@@H](C)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000336692035 386363730 /nfs/dbraw/zinc/36/37/30/386363730.db2.gz MXZYOPIQUBNZFW-LBPRGKRZSA-N 2 0 214.353 1.439 20 0 BDADRP C[C@@H](CC1CCOCC1)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414906106 386371236 /nfs/dbraw/zinc/37/12/36/386371236.db2.gz OTLCHEFQHFNZTK-GXTWGEPZSA-N 2 0 240.391 1.923 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[NH2+]2)CCO1 ZINC000414906073 386371605 /nfs/dbraw/zinc/37/16/05/386371605.db2.gz ORGVJECSXZIUGP-MCIONIFRSA-N 2 0 240.391 1.922 20 0 BDADRP C[NH+](C)CC1CC[NH+](CC2(C)COC2)CC1 ZINC000336695708 386375486 /nfs/dbraw/zinc/37/54/86/386375486.db2.gz GMHGLQUGMPBZKG-UHFFFAOYSA-N 2 0 226.364 1.297 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCOC2)C1 ZINC000336696839 386378187 /nfs/dbraw/zinc/37/81/87/386378187.db2.gz HHAZULWDUPGPNW-OLZOCXBDSA-N 2 0 226.364 1.297 20 0 BDADRP C[C@]1(C[NH2+]C[C@H]2CCCOC2)CCC[NH2+]C1 ZINC000414902893 386326757 /nfs/dbraw/zinc/32/67/57/386326757.db2.gz HVJDSVNONMEFHV-OLZOCXBDSA-N 2 0 226.364 1.392 20 0 BDADRP c1ccc([C@@H]2C[C@H]2C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000414741860 386327549 /nfs/dbraw/zinc/32/75/49/386327549.db2.gz SNWZRFUMKOMUEL-JONQDZQNSA-N 2 0 242.366 1.941 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)C(C)(C)C)C1 ZINC000336677915 386330028 /nfs/dbraw/zinc/33/00/28/386330028.db2.gz ACYQAHLJMIWIHS-STQMWFEESA-N 2 0 242.407 1.667 20 0 BDADRP C[C@H]1C[C@@H](C[N@H+](C)Cc2cc[nH]n2)CC[NH2+]1 ZINC000414740226 386330706 /nfs/dbraw/zinc/33/07/06/386330706.db2.gz KVCUMBPMKKRQIL-QWRGUYRKSA-N 2 0 222.336 1.230 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](O)C(C)(C)C2)CC[NH2+]1 ZINC000414740430 386332244 /nfs/dbraw/zinc/33/22/44/386332244.db2.gz LHYIQOWMIBCEKY-JHJVBQTASA-N 2 0 240.391 1.467 20 0 BDADRP C[C@H]1CC2(C[N@@H+]1Cc1cnn(C)c1)CC[NH2+]CC2 ZINC000335275378 386336730 /nfs/dbraw/zinc/33/67/30/386336730.db2.gz AFYGBWISWMSCPT-LBPRGKRZSA-N 2 0 248.374 1.384 20 0 BDADRP C[C@@H]1CC2(C[N@@H+]1Cc1ccon1)CC[NH2+]CC2 ZINC000335276623 386339342 /nfs/dbraw/zinc/33/93/42/386339342.db2.gz GTLVKVLICLLIHS-LLVKDONJSA-N 2 0 235.331 1.639 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H]2CCCOC2)C1 ZINC000336717897 386441236 /nfs/dbraw/zinc/44/12/36/386441236.db2.gz WOIBNVKBOIJSGD-ZIAGYGMSSA-N 2 0 240.391 1.687 20 0 BDADRP COC[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000336719033 386447543 /nfs/dbraw/zinc/44/75/43/386447543.db2.gz RMLZVAQEVXRVLG-JSGCOSHPSA-N 2 0 240.391 1.685 20 0 BDADRP CC[NH+](CC)C[C@H]1CC[N@H+](CC2(C)COC2)C1 ZINC000336704613 386392642 /nfs/dbraw/zinc/39/26/42/386392642.db2.gz NDTJDUPGPYEZBZ-CYBMUJFWSA-N 2 0 240.391 1.687 20 0 BDADRP CC(C)CO[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647891475 386393287 /nfs/dbraw/zinc/39/32/87/386393287.db2.gz IOUUNAKUFZMHJR-CHWSQXEVSA-N 2 0 226.364 1.343 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+]2C[C@H]3CCC[C@@H](C2)N3)CC[NH2+]1 ZINC000414754825 386394959 /nfs/dbraw/zinc/39/49/59/386394959.db2.gz SJGRTVBYHXQYCL-SYQHCUMBSA-N 2 0 237.391 1.201 20 0 BDADRP C[N@H+](CCCO)C1CC[NH+](CCC2CC2)CC1 ZINC000336705483 386396813 /nfs/dbraw/zinc/39/68/13/386396813.db2.gz AUNKEUSIDDYZNE-UHFFFAOYSA-N 2 0 240.391 1.565 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](CC2(C)COC2)C1 ZINC000336700886 386401804 /nfs/dbraw/zinc/40/18/04/386401804.db2.gz LNVYGBAHTBVYRS-GFCCVEGCSA-N 2 0 226.364 1.297 20 0 BDADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@H]1CCCO1 ZINC000336732712 386402810 /nfs/dbraw/zinc/40/28/10/386402810.db2.gz FZYTUWRPYOMIOV-WCQYABFASA-N 2 0 224.348 1.405 20 0 BDADRP CC(C)[N@H+](CCOCC[NH3+])Cc1ccccc1 ZINC000093232441 386406857 /nfs/dbraw/zinc/40/68/57/386406857.db2.gz XEBBMLRWJVEOPK-UHFFFAOYSA-N 2 0 236.359 1.872 20 0 BDADRP Cc1cc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])ccn1 ZINC000391121438 386410714 /nfs/dbraw/zinc/41/07/14/386410714.db2.gz JKWXQCRMWQFJPG-OLZOCXBDSA-N 2 0 219.332 1.607 20 0 BDADRP [NH3+]Cc1ccc(C(=O)N2CCCC[C@H]2C[NH3+])cc1 ZINC000237847038 386415415 /nfs/dbraw/zinc/41/54/15/386415415.db2.gz ZKSDSGJAQUFJJZ-ZDUSSCGKSA-N 2 0 247.342 1.099 20 0 BDADRP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CC(C)(C)CO ZINC000336708749 386416929 /nfs/dbraw/zinc/41/69/29/386416929.db2.gz JBPKFACFVIDARL-ZDUSSCGKSA-N 2 0 242.407 1.811 20 0 BDADRP Cc1cnc(C[NH2+]CCCC[NH+](C)C)n1C ZINC000336777285 386419751 /nfs/dbraw/zinc/41/97/51/386419751.db2.gz HZSGAVVHDQDLQZ-UHFFFAOYSA-N 2 0 224.352 1.160 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCC1CC(O)C1 ZINC000519381424 386420197 /nfs/dbraw/zinc/42/01/97/386420197.db2.gz GKMPSPZOCOLBSE-TUUUFIMRSA-N 2 0 226.364 1.397 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000414762472 386424647 /nfs/dbraw/zinc/42/46/47/386424647.db2.gz BENXJXZFZOQXOF-AVGNSLFASA-N 2 0 225.380 1.044 20 0 BDADRP C[C@H]1C[C@@H]1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414762697 386426164 /nfs/dbraw/zinc/42/61/64/386426164.db2.gz AVURYEFEPRQIDM-WUHRBBMRSA-N 2 0 208.349 1.574 20 0 BDADRP CO[C@@H](C)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000336710702 386426142 /nfs/dbraw/zinc/42/61/42/386426142.db2.gz LKOXHGATAWNKGG-GXTWGEPZSA-N 2 0 240.391 1.685 20 0 BDADRP CC(C)(C)[NH2+]CCN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000414766039 386433553 /nfs/dbraw/zinc/43/35/53/386433553.db2.gz QODPQTBVIXDIBY-CYBMUJFWSA-N 2 0 225.380 1.060 20 0 BDADRP CC1(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000519693043 386528543 /nfs/dbraw/zinc/52/85/43/386528543.db2.gz NPIKMMYUZQPCBH-NWDGAFQWSA-N 2 0 208.349 1.764 20 0 BDADRP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCCCC1 ZINC000415042780 386528733 /nfs/dbraw/zinc/52/87/33/386528733.db2.gz SURJOLVKBRUGFF-XEZLXBQYSA-N 2 0 208.349 1.763 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)[C@@H](C)C1 ZINC000415042491 386528763 /nfs/dbraw/zinc/52/87/63/386528763.db2.gz QORNCTGESNTGEX-RFGFWPKPSA-N 2 0 240.391 1.779 20 0 BDADRP COc1cccc(C[C@H](C)[NH2+]C2CC[NH2+]CC2)n1 ZINC000414776499 386478760 /nfs/dbraw/zinc/47/87/60/386478760.db2.gz FIPRCTWGTIZCCH-NSHDSACASA-N 2 0 249.358 1.363 20 0 BDADRP CC[C@@H]1CN(CCC[NH+](CC)CC)CC[C@H]1[NH3+] ZINC000647934965 386483960 /nfs/dbraw/zinc/48/39/60/386483960.db2.gz VSCYTGCFELANLY-ZIAGYGMSSA-N 2 0 241.423 1.778 20 0 BDADRP CC[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000647935088 386489322 /nfs/dbraw/zinc/48/93/22/386489322.db2.gz ZAOBPOACPXQZKR-XQQFMLRXSA-N 2 0 225.380 1.045 20 0 BDADRP c1nc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cs1 ZINC000415013725 386494939 /nfs/dbraw/zinc/49/49/39/386494939.db2.gz VLXOQTDMCROZJJ-NWDGAFQWSA-N 2 0 237.372 1.621 20 0 BDADRP Cc1cccc2ncc(C[NH2+][C@@H](C)CCC[NH3+])n21 ZINC000415015114 386499276 /nfs/dbraw/zinc/49/92/76/386499276.db2.gz ADPYPRBFADOHCS-NSHDSACASA-N 2 0 246.358 1.860 20 0 BDADRP C[C@H]([NH3+])[C@H](C)[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000415015298 386499403 /nfs/dbraw/zinc/49/94/03/386499403.db2.gz MREPLYOMXRILAG-RYUDHWBXSA-N 2 0 248.370 1.879 20 0 BDADRP CC[C@@H](C)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000414780257 386500571 /nfs/dbraw/zinc/50/05/71/386500571.db2.gz SNFHHWISGVTHDS-BNOWGMLFSA-N 2 0 240.391 1.861 20 0 BDADRP Cc1ncccc1C[NH2+][C@H](C)CCCC[NH3+] ZINC000415017553 386501981 /nfs/dbraw/zinc/50/19/81/386501981.db2.gz SJSVGALRKHCGHJ-LLVKDONJSA-N 2 0 221.348 1.997 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]Cc1nc2ccccc2n1C ZINC000415016480 386502305 /nfs/dbraw/zinc/50/23/05/386502305.db2.gz CIAPJUDAHJMBOJ-LLVKDONJSA-N 2 0 246.358 1.790 20 0 BDADRP COc1cc(C)nc(CN[C@@H](C)[C@@H](C)[NH3+])c1 ZINC000415016767 386502775 /nfs/dbraw/zinc/50/27/75/386502775.db2.gz OSWXSCMHFFPWLB-ZJUUUORDSA-N 2 0 223.320 1.224 20 0 BDADRP C[C@H]([NH2+]CCOCC[NH+](C)C)[C@]1(C)CCCO1 ZINC000340366525 386505360 /nfs/dbraw/zinc/50/53/60/386505360.db2.gz PJPPKTBEBSSSSA-STQMWFEESA-N 2 0 244.379 1.112 20 0 BDADRP C([NH2+]C[C@H]1C[NH2+]CCCO1)C1CCCCCC1 ZINC000415044015 386529895 /nfs/dbraw/zinc/52/98/95/386529895.db2.gz RWOKKNBOLIOBLS-CQSZACIVSA-N 2 0 240.391 1.925 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415022252 386512120 /nfs/dbraw/zinc/51/21/20/386512120.db2.gz ISWJFGSPXMTCHM-MGPQQGTHSA-N 3 0 241.423 1.715 20 0 BDADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]C[C@@H]2CCCOC2)CC1 ZINC000415025225 386513176 /nfs/dbraw/zinc/51/31/76/386513176.db2.gz PHXNBQWOACFFFX-IHRRRGAJSA-N 2 0 240.391 1.768 20 0 BDADRP C[C@@H]1OCC[C@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415026006 386513750 /nfs/dbraw/zinc/51/37/50/386513750.db2.gz ROAILEXKEUZSQL-ZDEQEGDKSA-N 2 0 226.364 1.519 20 0 BDADRP COc1ccsc1C[NH2+][C@H](C)CCC[NH3+] ZINC000415025911 386514239 /nfs/dbraw/zinc/51/42/39/386514239.db2.gz SBBVUBPGSXNDOA-SECBINFHSA-N 2 0 228.361 1.974 20 0 BDADRP CCC1(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)COC1 ZINC000393975183 386514554 /nfs/dbraw/zinc/51/45/54/386514554.db2.gz UUFSJPGMLCTNLH-YNEHKIRRSA-N 2 0 240.391 1.731 20 0 BDADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000519643295 386516005 /nfs/dbraw/zinc/51/60/05/386516005.db2.gz VXGMNKOABXHCSA-TUAOUCFPSA-N 2 0 243.395 1.095 20 0 BDADRP C[C@@H](CCC1CC1)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415029355 386516144 /nfs/dbraw/zinc/51/61/44/386516144.db2.gz AVCCEUWBIOPDPO-AAEUAGOBSA-N 2 0 226.364 1.533 20 0 BDADRP CCCC[C@H](COC)[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415027603 386516400 /nfs/dbraw/zinc/51/64/00/386516400.db2.gz BFYZOBXXCQIUCQ-RWMBFGLXSA-N 2 0 228.380 1.909 20 0 BDADRP CC(C)(N)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000335448385 386517412 /nfs/dbraw/zinc/51/74/12/386517412.db2.gz PBHGRLNSBWUQQJ-VXGBXAGGSA-N 2 0 226.364 1.615 20 0 BDADRP COC[C@@H](C)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000525865541 386518165 /nfs/dbraw/zinc/51/81/65/386518165.db2.gz NYJYILXKUWPZGO-LBPRGKRZSA-N 2 0 228.380 1.543 20 0 BDADRP CN(C)c1ccccc1C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415031490 386518340 /nfs/dbraw/zinc/51/83/40/386518340.db2.gz GXEDVAXYUAYYPF-JSGCOSHPSA-N 2 0 247.386 1.970 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C[C@@H]1C ZINC000415030618 386518428 /nfs/dbraw/zinc/51/84/28/386518428.db2.gz CSBSBZFMPXPUNB-ZOBORPQBSA-N 2 0 240.391 1.779 20 0 BDADRP FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000415030214 386519400 /nfs/dbraw/zinc/51/94/00/386519400.db2.gz DQBRZGWVIKRXSI-XXFSISAASA-N 2 0 248.292 1.915 20 0 BDADRP CCCn1cc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)cn1 ZINC000415031595 386519578 /nfs/dbraw/zinc/51/95/78/386519578.db2.gz HHVAAESNYXVWDF-AAEUAGOBSA-N 2 0 236.363 1.510 20 0 BDADRP CCOC[C@H](C)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414916246 386520985 /nfs/dbraw/zinc/52/09/85/386520985.db2.gz PGVGAMQKXASLIW-RYUDHWBXSA-N 2 0 214.353 1.391 20 0 BDADRP Cc1ccccc1C[C@@H](C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415039672 386527277 /nfs/dbraw/zinc/52/72/77/386527277.db2.gz PKUHATSLGBYNKK-RZFFKMDDSA-N 2 0 230.355 1.733 20 0 BDADRP CC(C)(C)[NH2+]CC[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415041681 386527867 /nfs/dbraw/zinc/52/78/67/386527867.db2.gz QBQKSLSFVQTYAE-QWRGUYRKSA-N 3 0 213.369 1.092 20 0 BDADRP C(C[C@@H]1CCOC1)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414911575 386456196 /nfs/dbraw/zinc/45/61/96/386456196.db2.gz WNPDJUHNQOCWDC-VXGBXAGGSA-N 2 0 212.337 1.145 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NCC2(C[NH3+])CC2)cc1 ZINC000414797417 386578033 /nfs/dbraw/zinc/57/80/33/386578033.db2.gz DADBAPXZDZLLDR-SNVBAGLBSA-N 2 0 219.332 1.857 20 0 BDADRP c1cncc([C@@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)c1 ZINC000335423481 386598346 /nfs/dbraw/zinc/59/83/46/386598346.db2.gz KRVVPWHGECNTBV-OAHLLOKOSA-N 2 0 245.370 1.871 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CN[C@H]1CCC[NH2+]CC1 ZINC000415076365 386579492 /nfs/dbraw/zinc/57/94/92/386579492.db2.gz GIAAQCYMMHTRQX-UONOGXRCSA-N 3 0 239.407 1.593 20 0 BDADRP CCC(CC)(CCO)C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000415076546 386579951 /nfs/dbraw/zinc/57/99/51/386579951.db2.gz CVQWNDSKVWSBBM-ZDUSSCGKSA-N 2 0 242.407 1.907 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CCCC[C@H]1CC[NH3+] ZINC000414800223 386583216 /nfs/dbraw/zinc/58/32/16/386583216.db2.gz YXYHOQPDTPPVEA-STQMWFEESA-N 2 0 227.396 1.563 20 0 BDADRP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)CC1CCOCC1 ZINC000414798273 386584386 /nfs/dbraw/zinc/58/43/86/386584386.db2.gz QATRZYXOGVBNCO-AAEUAGOBSA-N 2 0 228.380 1.765 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+][C@H](CO)c2ccccc2)CC[NH2+]1 ZINC000415078449 386586166 /nfs/dbraw/zinc/58/61/66/386586166.db2.gz IOWXCIAZWQYHFW-VNHYZAJKSA-N 2 0 248.370 1.698 20 0 BDADRP CCn1cc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cn1 ZINC000414800565 386586821 /nfs/dbraw/zinc/58/68/21/386586821.db2.gz LCLLRKRUOXKITN-CHWSQXEVSA-N 2 0 236.363 1.510 20 0 BDADRP Cc1ncccc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000414787901 386530882 /nfs/dbraw/zinc/53/08/82/386530882.db2.gz CWPFVIUKOZLCHJ-YPMHNXCESA-N 2 0 219.332 1.607 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN[C@H]1CC[NH2+]C1(C)C ZINC000415044622 386531321 /nfs/dbraw/zinc/53/13/21/386531321.db2.gz SMJLTUAJAXJSRD-MNOVXSKESA-N 2 0 213.369 1.090 20 0 BDADRP Cc1ncccc1C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415045947 386531455 /nfs/dbraw/zinc/53/14/55/386531455.db2.gz URKBXKVVLJYIBD-YPMHNXCESA-N 2 0 219.332 1.607 20 0 BDADRP CC(C)n1ccc(C[C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)n1 ZINC000415045673 386532247 /nfs/dbraw/zinc/53/22/47/386532247.db2.gz WNELWVJHQWHFQP-SCUASFONSA-N 2 0 248.374 1.202 20 0 BDADRP C[C@@H](CCN(CC[NH3+])CCO)c1ccccc1 ZINC000414917228 386532215 /nfs/dbraw/zinc/53/22/15/386532215.db2.gz VGVHJDWDCPYGCQ-ZDUSSCGKSA-N 2 0 236.359 1.433 20 0 BDADRP CC[C@H](C)C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415046719 386534652 /nfs/dbraw/zinc/53/46/52/386534652.db2.gz VDMKCLACQHLWLC-WDEREUQCSA-N 2 0 200.326 1.001 20 0 BDADRP CCC[C@H]([NH3+])C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000062972765 386535223 /nfs/dbraw/zinc/53/52/23/386535223.db2.gz NAJOLPGTLSIFOY-RYUDHWBXSA-N 2 0 241.379 1.057 20 0 BDADRP C([NH2+]C1CCC([NH+]2CCNCC2)CC1)C1CC1 ZINC000415057178 386537327 /nfs/dbraw/zinc/53/73/27/386537327.db2.gz RENQEQXVHYTNTM-UHFFFAOYSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@H]1C[C@@H](CNc2ccc(C[NH3+])cc2)CC[NH2+]1 ZINC000414918408 386538311 /nfs/dbraw/zinc/53/83/11/386538311.db2.gz YPCFACGBSOFMQL-AAEUAGOBSA-N 2 0 233.359 1.945 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@H](C[NH3+])C1CCCC1 ZINC000415065869 386547751 /nfs/dbraw/zinc/54/77/51/386547751.db2.gz NTNLLVSINSDQEE-QWHCGFSZSA-N 2 0 227.396 1.467 20 0 BDADRP Cc1nc(CNC[C@@H]2CCC[N@@H+](C)C2)[nH]c1C ZINC000519781977 386548500 /nfs/dbraw/zinc/54/85/00/386548500.db2.gz UVDZJTPVAIBXIN-LBPRGKRZSA-N 2 0 236.363 1.458 20 0 BDADRP CCCc1cccc(C[N@H+](C)C[C@H](O)C[NH3+])c1 ZINC000415067718 386548956 /nfs/dbraw/zinc/54/89/56/386548956.db2.gz LDMCJGIGVFRTBP-CQSZACIVSA-N 2 0 236.359 1.391 20 0 BDADRP CCOCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975109 386549909 /nfs/dbraw/zinc/54/99/09/386549909.db2.gz LNMMAFMAXZAUEE-UONOGXRCSA-N 2 0 240.391 1.735 20 0 BDADRP Cc1nc(CNC[C@H]2CCC[N@@H+](C)C2)[nH]c1C ZINC000519781919 386549887 /nfs/dbraw/zinc/54/98/87/386549887.db2.gz UVDZJTPVAIBXIN-GFCCVEGCSA-N 2 0 236.363 1.458 20 0 BDADRP C[N@@H+](Cc1ccc(C2CC2)cc1)C[C@@H](O)C[NH3+] ZINC000415069274 386550741 /nfs/dbraw/zinc/55/07/41/386550741.db2.gz OSJWXFQOSWCMEN-AWEZNQCLSA-N 2 0 234.343 1.315 20 0 BDADRP [NH3+]C[C@H](NC[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000415068171 386551502 /nfs/dbraw/zinc/55/15/02/386551502.db2.gz QJFZOWQHACVOMP-YPMHNXCESA-N 3 0 225.380 1.093 20 0 BDADRP CCCC1CCC(C[N@H+](C)C[C@@H](O)C[NH3+])CC1 ZINC000415067972 386552119 /nfs/dbraw/zinc/55/21/19/386552119.db2.gz LVZXWHUSCJYTBU-RUXDESIVSA-N 2 0 242.407 1.844 20 0 BDADRP CC[C@@H]1C[C@@H](C[NH2+][C@H]2CCCC[NH2+]C2)CCO1 ZINC000415070285 386552548 /nfs/dbraw/zinc/55/25/48/386552548.db2.gz QMQBTGYLVUBXHA-MELADBBJSA-N 2 0 240.391 1.923 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)[C@@H]1CCCO1 ZINC000415084452 386597377 /nfs/dbraw/zinc/59/73/77/386597377.db2.gz RHWVHLPPMKYCTR-AVGNSLFASA-N 2 0 226.364 1.533 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cncc(F)c1 ZINC000414794140 386557314 /nfs/dbraw/zinc/55/73/14/386557314.db2.gz FGSIEOAJKDOAGE-PWSUYJOCSA-N 2 0 223.295 1.438 20 0 BDADRP C[NH2+]CCCN1CCc2ccccc2[C@H]1C[NH3+] ZINC000647995882 386559521 /nfs/dbraw/zinc/55/95/21/386559521.db2.gz WBWRPFWZXIRETI-CQSZACIVSA-N 2 0 233.359 1.154 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CN(C)CCN1C)C1CCC1 ZINC000336756275 386560666 /nfs/dbraw/zinc/56/06/66/386560666.db2.gz YLHOZCWLCJYTJW-DGCLKSJQSA-N 2 0 225.380 1.010 20 0 BDADRP COC[C@@H](CC(C)C)[NH2+]C[C@H]([NH3+])C(C)C ZINC000414794809 386561546 /nfs/dbraw/zinc/56/15/46/386561546.db2.gz MFNBCYFWRHXQHJ-NEPJUHHUSA-N 2 0 216.369 1.620 20 0 BDADRP C[C@@H]1CCCC[C@@H]1C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000415072056 386563081 /nfs/dbraw/zinc/56/30/81/386563081.db2.gz VFXHSUYHKDJVSS-UTUOFQBUSA-N 2 0 214.353 1.064 20 0 BDADRP C[C@@]1(C[NH2+]CCc2ccccn2)CC[NH2+]C1 ZINC000415104840 386624233 /nfs/dbraw/zinc/62/42/33/386624233.db2.gz LJEPUIOIJPEMKR-ZDUSSCGKSA-N 2 0 219.332 1.213 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)C1CCSCC1 ZINC000335498706 386625650 /nfs/dbraw/zinc/62/56/50/386625650.db2.gz UFAQLSKSNDYUNW-MWLCHTKSSA-N 2 0 214.378 1.470 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414810355 386630511 /nfs/dbraw/zinc/63/05/11/386630511.db2.gz VGPYSMTYPZGKIO-RWMBFGLXSA-N 3 0 225.380 1.093 20 0 BDADRP Nc1ncc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])s1 ZINC000414810662 386630883 /nfs/dbraw/zinc/63/08/83/386630883.db2.gz VNBLQAXBNVSJET-PSASIEDQSA-N 2 0 240.376 1.163 20 0 BDADRP C[NH2+]CCC[N@H+](C)CC(C)(C)COC ZINC000415127243 386632140 /nfs/dbraw/zinc/63/21/40/386632140.db2.gz QOYSLQCHCLZWQR-UHFFFAOYSA-N 2 0 202.342 1.200 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@H](CF)C2)CC[NH2+]1 ZINC000415120676 386633812 /nfs/dbraw/zinc/63/38/12/386633812.db2.gz JAUOZOPUVYZGPF-IJLUTSLNSA-N 2 0 230.327 1.045 20 0 BDADRP CC[C@H]1CC[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000336758354 386636163 /nfs/dbraw/zinc/63/61/63/386636163.db2.gz JPSGBGVTTXJTPO-RYUDHWBXSA-N 2 0 214.353 1.343 20 0 BDADRP CCCC[C@@H](COC)[NH2+][C@@H](CN)C1CC1 ZINC000414814036 386637347 /nfs/dbraw/zinc/63/73/47/386637347.db2.gz RHQLWOUVDOTDIG-RYUDHWBXSA-N 2 0 214.353 1.519 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415133654 386639775 /nfs/dbraw/zinc/63/97/75/386639775.db2.gz VJKZKSDNOFIHRZ-UPJWGTAASA-N 2 0 227.396 1.277 20 0 BDADRP C[C@@H]1[C@@H](CO)CCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000415139987 386640808 /nfs/dbraw/zinc/64/08/08/386640808.db2.gz MLGRUQRRYVFGLM-FRRDWIJNSA-N 2 0 226.364 1.079 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000414814922 386649877 /nfs/dbraw/zinc/64/98/77/386649877.db2.gz ZODVFCOJFHUBRP-FKZOYECMSA-N 3 0 239.407 1.611 20 0 BDADRP C[C@H](CC1CCOCC1)C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000340670955 386652138 /nfs/dbraw/zinc/65/21/38/386652138.db2.gz HHHQQHYETUHBFH-YRGRVCCFSA-N 2 0 240.391 1.718 20 0 BDADRP CCC[NH+]1CCC(NCC([NH3+])(CC)CC)CC1 ZINC000414805555 386601866 /nfs/dbraw/zinc/60/18/66/386601866.db2.gz GLUVEQWKIRJHQE-UHFFFAOYSA-N 2 0 241.423 1.968 20 0 BDADRP C[C@]1(C[NH2+]C2CCC(O)CC2)CCC[NH2+]C1 ZINC000335488153 386605010 /nfs/dbraw/zinc/60/50/10/386605010.db2.gz NHFVJHUKJUVADS-BPCQOVAHSA-N 2 0 226.364 1.269 20 0 BDADRP C[C@@H](C[NH2+]CC(C)(C)[NH3+])CC1CCOCC1 ZINC000414804217 386607817 /nfs/dbraw/zinc/60/78/17/386607817.db2.gz NPMWIKUDKYAPEX-LLVKDONJSA-N 2 0 228.380 1.766 20 0 BDADRP CSC[C@@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000336645845 386608556 /nfs/dbraw/zinc/60/85/56/386608556.db2.gz ZWZVWSMSQFESBG-NXEZZACHSA-N 2 0 204.383 1.845 20 0 BDADRP [NH3+]C1CCC([NH2+]CC2(CCO)CCCC2)CC1 ZINC000415090940 386611414 /nfs/dbraw/zinc/61/14/14/386611414.db2.gz ZVRKXRGWBSOJLM-UHFFFAOYSA-N 2 0 240.391 1.789 20 0 BDADRP CC(C)Cc1ncc(CN[C@H](C)C[NH3+])s1 ZINC000414923938 386613851 /nfs/dbraw/zinc/61/38/51/386613851.db2.gz FQMFPNCUVLRVIF-SECBINFHSA-N 2 0 227.377 1.778 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1cncc(F)c1 ZINC000415107117 386616278 /nfs/dbraw/zinc/61/62/78/386616278.db2.gz IPROODDSFMHUAJ-JTQLQIEISA-N 2 0 237.322 1.871 20 0 BDADRP C[C@H]1C[C@@H](C[NH2+]CCCn2ccnc2)CC[NH2+]1 ZINC000415107198 386617726 /nfs/dbraw/zinc/61/77/26/386617726.db2.gz NMBKVQGTYCOIFX-STQMWFEESA-N 2 0 236.363 1.251 20 0 BDADRP [NH3+]CC1CCC([NH2+]Cc2cccnc2)CC1 ZINC000415108752 386617808 /nfs/dbraw/zinc/61/78/08/386617808.db2.gz OYMOAAQYPOBLQJ-UHFFFAOYSA-N 2 0 219.332 1.689 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414819938 386660909 /nfs/dbraw/zinc/66/09/09/386660909.db2.gz IRTUVLKPOBDHCU-AGIUHOORSA-N 2 0 236.363 1.249 20 0 BDADRP C[NH2+]CCN[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000414820668 386664568 /nfs/dbraw/zinc/66/45/68/386664568.db2.gz CNMJEXLKZCGXDO-UKRRQHHQSA-N 2 0 247.386 1.631 20 0 BDADRP C1C[C@]2(CO1)CCC[N@@H+]([C@@H]1CCC[NH2+]CC1)C2 ZINC000335525692 386669474 /nfs/dbraw/zinc/66/94/74/386669474.db2.gz PSBLZUOIWQIBSG-ZIAGYGMSSA-N 2 0 238.375 1.631 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCC[C@H]1O ZINC000520416707 386669883 /nfs/dbraw/zinc/66/98/83/386669883.db2.gz PWGJREYYDMZMSX-FDYHWXHSSA-N 2 0 226.364 1.397 20 0 BDADRP CN(C[C@H](O)C[N@H+](C)CC1CCC1)C1CC1 ZINC000336648001 386671976 /nfs/dbraw/zinc/67/19/76/386671976.db2.gz FYXOIAGVVQUILZ-CYBMUJFWSA-N 2 0 226.364 1.173 20 0 BDADRP C1C[C@H]2CC([NH2+][C@H]3CCCSC3)C[C@@H]1[NH2+]2 ZINC000414824476 386682659 /nfs/dbraw/zinc/68/26/59/386682659.db2.gz FZFRQYBKFRIOHF-PSIUFMSWSA-N 2 0 226.389 1.755 20 0 BDADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)C[NH+](C)C ZINC000425935359 386680570 /nfs/dbraw/zinc/68/05/70/386680570.db2.gz HVRHJSKCSXIXDQ-IHRRRGAJSA-N 2 0 242.407 1.979 20 0 BDADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)C[NH+](C)C ZINC000425935361 386682036 /nfs/dbraw/zinc/68/20/36/386682036.db2.gz HVRHJSKCSXIXDQ-RDBSUJKOSA-N 2 0 242.407 1.979 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000414830828 386711028 /nfs/dbraw/zinc/71/10/28/386711028.db2.gz CMMQJBZXWRIVJE-IRCOFANPSA-N 2 0 226.364 1.245 20 0 BDADRP CCCn1cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cn1 ZINC000414825131 386688767 /nfs/dbraw/zinc/68/87/67/386688767.db2.gz BTEVIAAPGLLCMO-LBPRGKRZSA-N 2 0 236.363 1.382 20 0 BDADRP C[C@H]([NH3+])CC[NH2+]C[C@@H](C)CC1CCOCC1 ZINC000414828059 386697058 /nfs/dbraw/zinc/69/70/58/386697058.db2.gz YVHZTWHDUFOMIK-RYUDHWBXSA-N 2 0 228.380 1.766 20 0 BDADRP [NH3+][C@H](CN[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000414828295 386697303 /nfs/dbraw/zinc/69/73/03/386697303.db2.gz IOPFKXQSKOJQIS-UONOGXRCSA-N 2 0 233.359 1.418 20 0 BDADRP [NH3+][C@@H](CN[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000414828294 386699504 /nfs/dbraw/zinc/69/95/04/386699504.db2.gz IOPFKXQSKOJQIS-KGLIPLIRSA-N 2 0 233.359 1.418 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(OC)cc1 ZINC000414829035 386701013 /nfs/dbraw/zinc/70/10/13/386701013.db2.gz AFHIXVMGTDXRLO-NSHDSACASA-N 2 0 222.332 1.640 20 0 BDADRP COCC[C@H](C)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357048557 386703333 /nfs/dbraw/zinc/70/33/33/386703333.db2.gz KOMJUELSXUWNRE-JSGCOSHPSA-N 2 0 240.391 1.733 20 0 BDADRP CC(C)[NH+]1CCN(CCCn2ccnc2)CC1 ZINC000182620401 386704617 /nfs/dbraw/zinc/70/46/17/386704617.db2.gz ZTRSSHVICNCTNE-UHFFFAOYSA-N 2 0 236.363 1.299 20 0 BDADRP COC[C@H](C)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357051164 386705030 /nfs/dbraw/zinc/70/50/30/386705030.db2.gz MSHWUUDENLJFIS-AAEUAGOBSA-N 2 0 226.364 1.343 20 0 BDADRP COCC[C@H](C)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357048554 386705678 /nfs/dbraw/zinc/70/56/78/386705678.db2.gz KOMJUELSXUWNRE-GXTWGEPZSA-N 2 0 240.391 1.733 20 0 BDADRP NC[C@@H]([NH2+]C1CCC([NH3+])CC1)C1CCCCC1 ZINC000414830226 386705976 /nfs/dbraw/zinc/70/59/76/386705976.db2.gz ATUGTQYEJTVZDH-JXQTWKCFSA-N 3 0 239.407 1.754 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000357067267 386708692 /nfs/dbraw/zinc/70/86/92/386708692.db2.gz DJPRTPOTXOWYHH-LBPRGKRZSA-N 2 0 240.372 1.860 20 0 BDADRP CCCC[C@H](COC)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414832698 386719769 /nfs/dbraw/zinc/71/97/69/386719769.db2.gz OPKCKHVCGMDRLX-CHWSQXEVSA-N 2 0 228.380 1.781 20 0 BDADRP CN(CCC[NH2+]Cc1ccco1)CC[NH+](C)C ZINC000623088246 386724835 /nfs/dbraw/zinc/72/48/35/386724835.db2.gz BUNTZFRTYMDFMU-UHFFFAOYSA-N 2 0 239.363 1.253 20 0 BDADRP CC[NH+]1CCC([NH2+]CC[C@H]2CCC[NH2+]C2)CC1 ZINC000414841952 386749060 /nfs/dbraw/zinc/74/90/60/386749060.db2.gz ONFYJGQSAIEXKA-CYBMUJFWSA-N 3 0 239.407 1.450 20 0 BDADRP CCCC[N@H+](CCOC)C[C@@]1(C)CC[NH2+]C1 ZINC000340712790 386761327 /nfs/dbraw/zinc/76/13/27/386761327.db2.gz NLYJYQZQUZPHJT-ZDUSSCGKSA-N 2 0 228.380 1.735 20 0 BDADRP CC[C@@H]([NH3+])C(=O)N(CCC[NH3+])CC1CCCC1 ZINC000357361142 386766253 /nfs/dbraw/zinc/76/62/53/386766253.db2.gz DVJYMPGFSAGPJP-GFCCVEGCSA-N 2 0 241.379 1.091 20 0 BDADRP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000357358883 386768368 /nfs/dbraw/zinc/76/83/68/386768368.db2.gz XNDPCNJYRUXMMF-GFCCVEGCSA-N 2 0 241.379 1.057 20 0 BDADRP C[C@H](C[NH3+])C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000357229918 386740925 /nfs/dbraw/zinc/74/09/25/386740925.db2.gz WNFBRHXMXPFORA-MNOVXSKESA-N 2 0 243.395 1.064 20 0 BDADRP CC[N@@H+]1CC[C@H](NC[C@H](C)C[NH2+]C)[C@H](C)C1 ZINC000414838844 386742802 /nfs/dbraw/zinc/74/28/02/386742802.db2.gz LRNKLZXCOZAADD-UPJWGTAASA-N 2 0 227.396 1.162 20 0 BDADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)C(C)(C)[NH3+] ZINC000417829710 386791305 /nfs/dbraw/zinc/79/13/05/386791305.db2.gz IPUVKKXAOSUHIQ-GFCCVEGCSA-N 2 0 249.358 1.102 20 0 BDADRP CC(C)[N@@H+](C)C[C@@H](C)N[C@H]1C[NH+](C)C[C@H]1C ZINC000336668533 386791987 /nfs/dbraw/zinc/79/19/87/386791987.db2.gz MNWRYBNTBXWADJ-UPJWGTAASA-N 2 0 227.396 1.255 20 0 BDADRP CC(C)[N@@H+](C)C[C@@H](C)N[C@@H]1C[NH+](C)C[C@@H]1C ZINC000336668535 386793130 /nfs/dbraw/zinc/79/31/30/386793130.db2.gz MNWRYBNTBXWADJ-YNEHKIRRSA-N 2 0 227.396 1.255 20 0 BDADRP C[C@@H]1OCC[C@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414846624 386816344 /nfs/dbraw/zinc/81/63/44/386816344.db2.gz UPTWYSLZRGNFRA-SDDRHHMPSA-N 2 0 212.337 1.143 20 0 BDADRP CC(C)[N@@H+]1CCCN(Cc2c[nH]cn2)CC1 ZINC000280494996 386817776 /nfs/dbraw/zinc/81/77/76/386817776.db2.gz PCFBCEZLLAFIPX-UHFFFAOYSA-N 2 0 222.336 1.326 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+]C2(C)CC[NH2+]CC2)CCO1 ZINC000414936107 386818007 /nfs/dbraw/zinc/81/80/07/386818007.db2.gz GOPQDPZPZPODIV-CHWSQXEVSA-N 2 0 240.391 1.923 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417840795 386800717 /nfs/dbraw/zinc/80/07/17/386800717.db2.gz SKOUQSUKNFCPMH-WCQYABFASA-N 2 0 241.379 1.138 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@H](C)CCCC[NH3+] ZINC000336671328 386811200 /nfs/dbraw/zinc/81/12/00/386811200.db2.gz SEXDZAUWRGPSCR-CYBMUJFWSA-N 3 0 229.412 1.824 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(OC)c(F)c1 ZINC000414846169 386811537 /nfs/dbraw/zinc/81/15/37/386811537.db2.gz UFKMYVCRDHGKPO-JTQLQIEISA-N 2 0 240.322 1.779 20 0 BDADRP C1C[NH2+][C@H]([C@H]2CCC[C@@H]2N[C@@H]2CCC[NH2+]C2)C1 ZINC000414935600 386812011 /nfs/dbraw/zinc/81/20/11/386812011.db2.gz YTDYZJWSLIKSCR-MQYQWHSLSA-N 2 0 237.391 1.249 20 0 BDADRP C[C@H]1COCC[C@H]1[NH2+]CCC1CC[NH+](C)CC1 ZINC000192551445 386832197 /nfs/dbraw/zinc/83/21/97/386832197.db2.gz JBAFFTDCISOOQX-GXTWGEPZSA-N 2 0 240.391 1.733 20 0 BDADRP Cc1cnc(CNC[C@@H]2CC[N@@H+](C3CC3)C2)n1C ZINC000341091329 386836517 /nfs/dbraw/zinc/83/65/17/386836517.db2.gz KYJSYAFLHJPQNL-LBPRGKRZSA-N 2 0 248.374 1.302 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000331424920 386850523 /nfs/dbraw/zinc/85/05/23/386850523.db2.gz ICLFHIRCCBACRT-XQHKEYJVSA-N 2 0 226.364 1.397 20 0 BDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N[C@@H](C)C[NH3+])C1 ZINC000414942722 386893263 /nfs/dbraw/zinc/89/32/63/386893263.db2.gz KODUQBAEAAICHC-GZBFAFLISA-N 2 0 247.386 1.759 20 0 BDADRP CCCC[N@H+](C)CCN[C@H]1C[NH+](C)C[C@@H]1C ZINC000336744403 386855070 /nfs/dbraw/zinc/85/50/70/386855070.db2.gz UVTNYRJTSIJHGL-STQMWFEESA-N 2 0 227.396 1.258 20 0 BDADRP CCCC[N@H+](C)CCN[C@@H]1C[NH+](C)C[C@H]1C ZINC000336744399 386855343 /nfs/dbraw/zinc/85/53/43/386855343.db2.gz UVTNYRJTSIJHGL-CHWSQXEVSA-N 2 0 227.396 1.258 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000331605708 386874190 /nfs/dbraw/zinc/87/41/90/386874190.db2.gz IEOWMALRJWDCJG-YVECIDJPSA-N 2 0 226.364 1.397 20 0 BDADRP CSCC[C@@H](C)[N@H+](C)CCOCC[NH3+] ZINC000156905199 386876743 /nfs/dbraw/zinc/87/67/43/386876743.db2.gz TUXUIMGAVMNRTC-SNVBAGLBSA-N 2 0 220.382 1.035 20 0 BDADRP [NH3+]C1(CNC2CC[NH2+]CC2)CCCCCC1 ZINC000334837434 386878480 /nfs/dbraw/zinc/87/84/80/386878480.db2.gz MJNKJCUDWICTSC-UHFFFAOYSA-N 2 0 225.380 1.380 20 0 BDADRP C[C@@H](CC(N)=O)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000358028176 386881654 /nfs/dbraw/zinc/88/16/54/386881654.db2.gz WUPVHVLVLXTDQC-JTQLQIEISA-N 2 0 241.379 1.103 20 0 BDADRP C[C@H]1C[N@H+](CCC2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000335759062 386888735 /nfs/dbraw/zinc/88/87/35/386888735.db2.gz UOSNEHHBHCYMAP-AAEUAGOBSA-N 3 0 225.380 1.045 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc2c[nH]nc21 ZINC000334856222 386909029 /nfs/dbraw/zinc/90/90/29/386909029.db2.gz HELSRTADXIKENJ-MFKMUULPSA-N 2 0 244.342 1.651 20 0 BDADRP CC(C)([NH3+])C[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000334856452 386909513 /nfs/dbraw/zinc/90/95/13/386909513.db2.gz XWNXTROFRDWXDY-QWHCGFSZSA-N 2 0 240.391 1.597 20 0 BDADRP CCC([NH3+])(CC)CN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000331910103 386923611 /nfs/dbraw/zinc/92/36/11/386923611.db2.gz FWPYGYCPFMVXHP-RYUDHWBXSA-N 2 0 227.396 1.482 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000398616916 386926368 /nfs/dbraw/zinc/92/63/68/386926368.db2.gz SPHQPHVFBSXHKP-RWMBFGLXSA-N 2 0 228.380 1.658 20 0 BDADRP Cc1c[nH]nc1CN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000334870978 386930025 /nfs/dbraw/zinc/93/00/25/386930025.db2.gz VXBIMFAHJURHJN-JSGCOSHPSA-N 2 0 248.374 1.682 20 0 BDADRP C[C@H](CCO)C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000331958996 386930635 /nfs/dbraw/zinc/93/06/35/386930635.db2.gz KBEXZNOSUMUVBE-IJLUTSLNSA-N 2 0 214.353 1.255 20 0 BDADRP [NH3+][C@@H]1C[C@@H](N[C@@H]2CCCC[C@H]2[NH3+])c2ccccc21 ZINC000331976298 386934791 /nfs/dbraw/zinc/93/47/91/386934791.db2.gz KOTODDKLZCYEQM-KBUPBQIOSA-N 2 0 245.370 1.991 20 0 BDADRP c1ccc2c(c1)CC([NH2+]C[C@H]1C[NH2+]CCCO1)C2 ZINC000334875555 386937633 /nfs/dbraw/zinc/93/76/33/386937633.db2.gz VCCUXRHLNZVXLR-OAHLLOKOSA-N 2 0 246.354 1.122 20 0 BDADRP COC[C@@H](C)C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000518934863 386939580 /nfs/dbraw/zinc/93/95/80/386939580.db2.gz YLAZNFVHNUROIT-WCFLWFBJSA-N 2 0 226.364 1.247 20 0 BDADRP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000398703978 386959967 /nfs/dbraw/zinc/95/99/67/386959967.db2.gz XSRJZZRGTQWPGN-ZDEQEGDKSA-N 2 0 228.380 1.501 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](N[C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000332311263 386972633 /nfs/dbraw/zinc/97/26/33/386972633.db2.gz XMSGIUDCQXFOBD-VOAKCMCISA-N 2 0 225.380 1.506 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCC[C@@H](CO)C1 ZINC000332377427 386973358 /nfs/dbraw/zinc/97/33/58/386973358.db2.gz XZKGPIAECNSWBD-RQJABVFESA-N 2 0 240.391 1.787 20 0 BDADRP C[N@H+](CCC[NH+]1CCCCC1)C1(CO)CC1 ZINC000353024356 386979059 /nfs/dbraw/zinc/97/90/59/386979059.db2.gz GZHAYUYTRXMKBP-UHFFFAOYSA-N 2 0 226.364 1.319 20 0 BDADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000341886239 386985740 /nfs/dbraw/zinc/98/57/40/386985740.db2.gz XRXZDGBWARSHHC-REWJHTLYSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](CCc2cccnc2)CC1 ZINC000104448476 387004548 /nfs/dbraw/zinc/00/45/48/387004548.db2.gz NEBBNXFHHRPYGX-LBPRGKRZSA-N 2 0 233.359 1.683 20 0 BDADRP C[C@H](Cc1ccncc1)[NH2+][C@H]1CN(C)C[C@H]1C ZINC000358401592 386950444 /nfs/dbraw/zinc/95/04/44/386950444.db2.gz NSQRLCQUAVFYJV-BZPMIXESSA-N 2 0 233.359 1.552 20 0 BDADRP C[C@@H]1c2ccccc2CC[N@H+]1CCC[NH3+] ZINC000334820977 386950665 /nfs/dbraw/zinc/95/06/65/386950665.db2.gz VQFDDTQFTZETHU-LLVKDONJSA-N 2 0 204.317 1.955 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000332060582 386952096 /nfs/dbraw/zinc/95/20/96/386952096.db2.gz YQQRXKDDQFKMIE-SDDRHHMPSA-N 2 0 214.353 1.253 20 0 BDADRP CC[C@H]1CC[N@@H+]1Cc1cnc(N(C)C)n1C ZINC000425383425 387033147 /nfs/dbraw/zinc/03/31/47/387033147.db2.gz PJJJJYTXRPQXLK-JTQLQIEISA-N 2 0 222.336 1.470 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@](C)(O)C2)[C@H]2CCC[C@H]21 ZINC000417411850 387046837 /nfs/dbraw/zinc/04/68/37/387046837.db2.gz WXINJUWGHVYFDL-RGDJUOJXSA-N 2 0 238.375 1.362 20 0 BDADRP CC[C@H](O)C[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000336764468 387049112 /nfs/dbraw/zinc/04/91/12/387049112.db2.gz QAKLUXQLXGHQIE-GRYCIOLGSA-N 2 0 214.353 1.077 20 0 BDADRP CCC[C@@H]1C[NH2+]CCN1C[C@H]1CCC[NH2+]C1 ZINC000359055234 387050781 /nfs/dbraw/zinc/05/07/81/387050781.db2.gz KMYGOUYKDFMSBS-QWHCGFSZSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@]1(F)CNCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000334969261 387052744 /nfs/dbraw/zinc/05/27/44/387052744.db2.gz BKTKSJWRVHPOKO-OLZOCXBDSA-N 2 0 243.370 1.010 20 0 BDADRP CCOCC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000369736043 387064786 /nfs/dbraw/zinc/06/47/86/387064786.db2.gz LVDZANIPQRBFNA-LBPRGKRZSA-N 2 0 214.353 1.439 20 0 BDADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCC1CC[NH2+]CC1 ZINC000359220239 387068917 /nfs/dbraw/zinc/06/89/17/387068917.db2.gz OHIIQHRBZVGTCD-AWEZNQCLSA-N 3 0 241.423 1.681 20 0 BDADRP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ccccc1N(C)C ZINC000423298697 387130278 /nfs/dbraw/zinc/13/02/78/387130278.db2.gz ASTXXURFQRTMJO-NWDGAFQWSA-N 2 0 235.375 1.998 20 0 BDADRP C[C@@H]1CCC[C@H]([NH2+]C[C@@](C)(O)C[NH+](C)C)C1 ZINC000228138360 387078851 /nfs/dbraw/zinc/07/88/51/387078851.db2.gz BZXPSSROKQXMKQ-FRRDWIJNSA-N 2 0 228.380 1.467 20 0 BDADRP Cc1ccsc1[C@@H](C)[NH2+]CC1C[NH2+]C1 ZINC000423299731 387130787 /nfs/dbraw/zinc/13/07/87/387130787.db2.gz CDASAGGDGRITCO-SECBINFHSA-N 2 0 210.346 1.927 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000228294455 387085831 /nfs/dbraw/zinc/08/58/31/387085831.db2.gz SVQAUNBFXDIALG-YNEHKIRRSA-N 2 0 228.380 1.502 20 0 BDADRP CC(C)([NH3+])CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000071137286 387091115 /nfs/dbraw/zinc/09/11/15/387091115.db2.gz RCFNOQBZTDUJSA-GFCCVEGCSA-N 2 0 225.380 1.284 20 0 BDADRP Cc1cc(CC[NH2+][C@@H]2C[C@@H](C)N(C3CC3)C2)on1 ZINC000353080810 387103183 /nfs/dbraw/zinc/10/31/83/387103183.db2.gz CRNSKRPIVOJOQO-VXGBXAGGSA-N 2 0 249.358 1.740 20 0 BDADRP C[C@H]1CC[NH2+]C[C@@H]1NC1CC(C)(F)C1 ZINC000335008366 387103413 /nfs/dbraw/zinc/10/34/13/387103413.db2.gz SSOKFNVDAMOXTA-XEAZBWPWSA-N 2 0 200.301 1.465 20 0 BDADRP CC[C@@H](C)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370638514 387132027 /nfs/dbraw/zinc/13/20/27/387132027.db2.gz XZYWYFMBFAXMOC-CHWSQXEVSA-N 2 0 239.407 1.543 20 0 BDADRP CC[C@@H]([NH2+]C[C@@H](C)C[NH3+])C1(C(=O)OC)CCC1 ZINC000423299565 387129202 /nfs/dbraw/zinc/12/92/02/387129202.db2.gz BWRRIARKUKGBNB-WDEREUQCSA-N 2 0 242.363 1.293 20 0 BDADRP CCC[NH2+]CCN[C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000423305725 387141489 /nfs/dbraw/zinc/14/14/89/387141489.db2.gz CLEBMJPHVMPTRW-NEPJUHHUSA-N 2 0 213.369 1.106 20 0 BDADRP C[C@H]([NH2+]CC1C[NH2+]C1)c1ccc(F)cc1 ZINC000423305786 387141858 /nfs/dbraw/zinc/14/18/58/387141858.db2.gz RNMMNQNYOVSNAU-VIFPVBQESA-N 2 0 208.280 1.696 20 0 BDADRP CCC[NH2+]CC[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000423307566 387142955 /nfs/dbraw/zinc/14/29/55/387142955.db2.gz HDDAYOFFVRJHJN-NEPJUHHUSA-N 2 0 214.353 1.391 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+]CC2C[NH2+]C2)C12CCCC2 ZINC000423308073 387143025 /nfs/dbraw/zinc/14/30/25/387143025.db2.gz XGVIZDKWSIWRFT-OLZOCXBDSA-N 2 0 238.375 1.533 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000423307896 387144279 /nfs/dbraw/zinc/14/42/79/387144279.db2.gz NWPROBBEALHCER-XJFOESAGSA-N 2 0 240.391 1.766 20 0 BDADRP [NH3+][C@H](C[NH2+][C@@H]1CCc2ccccc2OC1)C1CC1 ZINC000423315154 387153130 /nfs/dbraw/zinc/15/31/30/387153130.db2.gz INKNGIVTSFPVMY-ZIAGYGMSSA-N 2 0 246.354 1.707 20 0 BDADRP [NH3+][C@@H](C[NH2+][C@@H]1CCc2ccccc2OC1)C1CC1 ZINC000423315150 387154321 /nfs/dbraw/zinc/15/43/21/387154321.db2.gz INKNGIVTSFPVMY-KGLIPLIRSA-N 2 0 246.354 1.707 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C)(CO)CC1 ZINC000186958813 387154889 /nfs/dbraw/zinc/15/48/89/387154889.db2.gz SPQONWNCMBBOOY-ZDUSSCGKSA-N 2 0 240.391 1.565 20 0 BDADRP COCC[C@@H]1CCC[C@H]1[NH2+]CC1([NH3+])CCC1 ZINC000423319415 387159195 /nfs/dbraw/zinc/15/91/95/387159195.db2.gz FFYDFZHUGRQJLY-NWDGAFQWSA-N 2 0 226.364 1.663 20 0 BDADRP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)C1CCOCC1 ZINC000423319155 387159229 /nfs/dbraw/zinc/15/92/29/387159229.db2.gz CZZGIUSUKUAQTO-TZMCWYRMSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)C1CCOCC1 ZINC000423319151 387159515 /nfs/dbraw/zinc/15/95/15/387159515.db2.gz CZZGIUSUKUAQTO-JSGCOSHPSA-N 2 0 240.391 1.781 20 0 BDADRP CO[C@@H]1[C@H](C)[C@H]([NH2+]CCCC[NH3+])C1(C)C ZINC000423319938 387160812 /nfs/dbraw/zinc/16/08/12/387160812.db2.gz FSXQZKIIDPAGGQ-OUAUKWLOSA-N 2 0 214.353 1.374 20 0 BDADRP COc1cccc2c1CC[C@@H]([NH2+]CC1C[NH2+]C1)C2 ZINC000423324363 387168127 /nfs/dbraw/zinc/16/81/27/387168127.db2.gz PGAQPLFOCWUWTN-CYBMUJFWSA-N 2 0 246.354 1.362 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@]1(C)CCC[NH2+]C1 ZINC000423328222 387170298 /nfs/dbraw/zinc/17/02/98/387170298.db2.gz LWIRIVHSQZSCNR-HZSPNIEDSA-N 2 0 239.407 1.306 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2=CC[NH2+]CC2)[C@@H](C)C1 ZINC000423330253 387176571 /nfs/dbraw/zinc/17/65/71/387176571.db2.gz BQUVRNYAAJQDMF-GXTWGEPZSA-N 3 0 237.391 1.226 20 0 BDADRP Cc1cc([C@@H](C)[NH2+]CC2C[NH2+]C2)cs1 ZINC000423333300 387178437 /nfs/dbraw/zinc/17/84/37/387178437.db2.gz VUEOZTPRMKCZSW-SECBINFHSA-N 2 0 210.346 1.927 20 0 BDADRP C[C@@H]1OCC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000120116772 387186930 /nfs/dbraw/zinc/18/69/30/387186930.db2.gz CZVKNPDUXLJVBD-GMXVVIOVSA-N 2 0 224.348 1.238 20 0 BDADRP C(COCC1CC1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000229621938 387187414 /nfs/dbraw/zinc/18/74/14/387187414.db2.gz KNYASIFKNTYDDT-UONOGXRCSA-N 2 0 238.375 1.629 20 0 BDADRP C[NH2+]CCSC[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000571879065 387189004 /nfs/dbraw/zinc/18/90/04/387189004.db2.gz ZKUHBTCPOOLOGV-LLVKDONJSA-N 2 0 242.363 1.821 20 0 BDADRP COc1ccc2c(c1)CCC[C@H]2[NH2+]CC1C[NH2+]C1 ZINC000423300043 387132797 /nfs/dbraw/zinc/13/27/97/387132797.db2.gz CXULQODFSGNKAO-OAHLLOKOSA-N 2 0 246.354 1.882 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@H](C)CC(=O)Nc1ccccc1 ZINC000423301481 387135381 /nfs/dbraw/zinc/13/53/81/387135381.db2.gz TWGNDMZAFSYMDK-VXGBXAGGSA-N 2 0 249.358 1.588 20 0 BDADRP Cc1ncc([C@H](C)[NH2+]C[C@H](C)C[NH3+])c(C)n1 ZINC000423303194 387137145 /nfs/dbraw/zinc/13/71/45/387137145.db2.gz WSGLFEJJXBIHIX-BDAKNGLRSA-N 2 0 222.336 1.339 20 0 BDADRP CCCCO[C@@H]1C[C@@H]([NH2+]CC2C[NH2+]C2)C1(C)C ZINC000423303919 387137183 /nfs/dbraw/zinc/13/71/83/387137183.db2.gz NEDGFUZMOKWCRU-CHWSQXEVSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@H](C[NH3+])CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423304114 387138071 /nfs/dbraw/zinc/13/80/71/387138071.db2.gz JXJYTCVCKOJLET-XJFOESAGSA-N 2 0 239.407 1.482 20 0 BDADRP CC[C@@H](NCC1=CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000423351985 387203785 /nfs/dbraw/zinc/20/37/85/387203785.db2.gz JIZHSPZOMWZKJY-OLZOCXBDSA-N 2 0 223.364 1.026 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)C[NH2+]C)C1(C)C ZINC000300394599 387204059 /nfs/dbraw/zinc/20/40/59/387204059.db2.gz YFAOGKGCBDREHY-IJLUTSLNSA-N 2 0 228.380 1.635 20 0 BDADRP CC(C)C1CC([NH2+]CC2=CC[NH2+]CC2)C1 ZINC000423355769 387208686 /nfs/dbraw/zinc/20/86/86/387208686.db2.gz PJKZYIJAJIEQBT-UHFFFAOYSA-N 2 0 208.349 1.930 20 0 BDADRP C[C@@H](NCC[C@H]1CCC[NH2+]1)[C@H]1CCCC[NH2+]1 ZINC000423361197 387212774 /nfs/dbraw/zinc/21/27/74/387212774.db2.gz RGKYPJQRTJYUER-JHJVBQTASA-N 2 0 225.380 1.249 20 0 BDADRP C[C@H](N[C@H]1CC[NH2+]C[C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000423361760 387213382 /nfs/dbraw/zinc/21/33/82/387213382.db2.gz APCXISZEXJSPGI-MROQNXINSA-N 2 0 225.380 1.105 20 0 BDADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000423366642 387218222 /nfs/dbraw/zinc/21/82/22/387218222.db2.gz CSFNHDVMNQQCBY-WUHRBBMRSA-N 2 0 225.380 1.057 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCOC1 ZINC000423369516 387224822 /nfs/dbraw/zinc/22/48/22/387224822.db2.gz DZBKADVMYKGVKA-LOWDOPEQSA-N 2 0 226.364 1.661 20 0 BDADRP Cc1csc(C[NH2+]CCOCC[NH+](C)C)n1 ZINC000230004495 387224977 /nfs/dbraw/zinc/22/49/77/387224977.db2.gz ZVHGTPHREMMXEQ-UHFFFAOYSA-N 2 0 243.376 1.119 20 0 BDADRP C[NH+](C)CCOCC[NH2+]Cc1ccc(F)cc1 ZINC000230005010 387225783 /nfs/dbraw/zinc/22/57/83/387225783.db2.gz FBICIUGEYVFSMQ-UHFFFAOYSA-N 2 0 240.322 1.494 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423372521 387226547 /nfs/dbraw/zinc/22/65/47/387226547.db2.gz VXHSQNACFROTJP-UPJWGTAASA-N 2 0 225.380 1.058 20 0 BDADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1N[C@H]1CC[NH2+]C[C@H]1C ZINC000423400865 387234905 /nfs/dbraw/zinc/23/49/05/387234905.db2.gz QKXDZTYNQIFCDV-UVLXDEKHSA-N 2 0 237.391 1.057 20 0 BDADRP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000423403264 387237582 /nfs/dbraw/zinc/23/75/82/387237582.db2.gz RYWWZUTYGQIVHP-FQUUOJAGSA-N 2 0 240.391 1.779 20 0 BDADRP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000423403271 387238857 /nfs/dbraw/zinc/23/88/57/387238857.db2.gz RYWWZUTYGQIVHP-RQJABVFESA-N 2 0 240.391 1.779 20 0 BDADRP C[NH2+][C@H](C)C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000423404335 387241423 /nfs/dbraw/zinc/24/14/23/387241423.db2.gz YBFDRJGHHBWMRQ-WISYIIOYSA-N 2 0 224.348 1.142 20 0 BDADRP CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1cnn(C)c1 ZINC000423407126 387243428 /nfs/dbraw/zinc/24/34/28/387243428.db2.gz VJRFYXLWKVMGIG-DRZSPHRISA-N 2 0 236.363 1.459 20 0 BDADRP CC[C@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)C1CCC1 ZINC000423414575 387245451 /nfs/dbraw/zinc/24/54/51/387245451.db2.gz NERMOHBJMCANIO-KBPBESRZSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1N[C@H]1CC[NH2+]C[C@H]1C ZINC000423410322 387245669 /nfs/dbraw/zinc/24/56/69/387245669.db2.gz ZZEFKECNULSFNL-PEBLQZBPSA-N 2 0 239.407 1.303 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000423410324 387245833 /nfs/dbraw/zinc/24/58/33/387245833.db2.gz ZZEFKECNULSFNL-XHJNMGKDSA-N 2 0 239.407 1.303 20 0 BDADRP C[C@@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000194950066 387253753 /nfs/dbraw/zinc/25/37/53/387253753.db2.gz YNIJWNPZWLTDMU-CHWSQXEVSA-N 2 0 226.364 1.175 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@](C)(O)C1 ZINC000230202681 387246624 /nfs/dbraw/zinc/24/66/24/387246624.db2.gz MFJAAVYXFPUNKI-CHWSQXEVSA-N 2 0 226.364 1.318 20 0 BDADRP COC[C@@]1(C[NH2+][C@H]2CCC2(C)C)CCC[NH2+]1 ZINC000423413642 387246878 /nfs/dbraw/zinc/24/68/78/387246878.db2.gz LFCGTHLNMJBABE-AAEUAGOBSA-N 2 0 226.364 1.533 20 0 BDADRP CCCC[N@H+](C)CCNC(=O)[C@@](C)([NH3+])CCC ZINC000353646843 387247181 /nfs/dbraw/zinc/24/71/81/387247181.db2.gz ZPXJOVFETNMQRC-ZDUSSCGKSA-N 2 0 243.395 1.352 20 0 BDADRP Cc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cn1 ZINC000161581757 387247675 /nfs/dbraw/zinc/24/76/75/387247675.db2.gz DHGODUIXVCCZHH-WFASDCNBSA-N 2 0 247.386 1.862 20 0 BDADRP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)[C@H]1CCCOC1 ZINC000423349278 387199062 /nfs/dbraw/zinc/19/90/62/387199062.db2.gz VICIJDDWJJEKIW-MELADBBJSA-N 2 0 240.391 1.781 20 0 BDADRP C[N@@H+]1CC[C@H](NCC(F)(F)CN)[C@H]2CCC[C@@H]21 ZINC000423349439 387201388 /nfs/dbraw/zinc/20/13/88/387201388.db2.gz WTMMRSXFDDNIIY-VWYCJHECSA-N 2 0 247.333 1.043 20 0 BDADRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)[C@@H]1CCCC[NH2+]1 ZINC000423465980 387313421 /nfs/dbraw/zinc/31/34/21/387313421.db2.gz AGTITRPOTRULHB-RDBSUJKOSA-N 3 0 239.407 1.639 20 0 BDADRP COCCC[C@H](C)[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423468182 387315293 /nfs/dbraw/zinc/31/52/93/387315293.db2.gz JNTVCZZTDSTOBG-RWMBFGLXSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423470434 387316380 /nfs/dbraw/zinc/31/63/80/387316380.db2.gz DKCPGXRPVSYXJR-UPJWGTAASA-N 2 0 225.380 1.058 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@H]1CCOC ZINC000423470444 387316757 /nfs/dbraw/zinc/31/67/57/387316757.db2.gz PJGPWKLGZYDJGP-SDDRHHMPSA-N 2 0 214.353 1.519 20 0 BDADRP COC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)C1CC1 ZINC000423379250 387260075 /nfs/dbraw/zinc/26/00/75/387260075.db2.gz MUMFYMRAJUCTGJ-JLLWLGSASA-N 2 0 212.337 1.142 20 0 BDADRP C[C@@H](C[NH3+])N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423383186 387266386 /nfs/dbraw/zinc/26/63/86/387266386.db2.gz DVBWSCHKIBVOKH-UWJYBYFXSA-N 2 0 205.305 1.068 20 0 BDADRP C[C@@H](Cc1ccoc1)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000423385383 387268520 /nfs/dbraw/zinc/26/85/20/387268520.db2.gz QWGOVWQWFPHOHE-NTZNESFSSA-N 2 0 222.332 1.941 20 0 BDADRP CC[NH2+][C@H](C)CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423385889 387270574 /nfs/dbraw/zinc/27/05/74/387270574.db2.gz KYPSSECJLDGZCN-LERXQTSPSA-N 2 0 233.359 1.719 20 0 BDADRP C[C@H](NC[C@@H]1[NH2+]CCCC1(C)C)[C@H]1CCC[NH2+]1 ZINC000423393241 387278467 /nfs/dbraw/zinc/27/84/67/387278467.db2.gz QVLOYJKLFXTDDD-XQQFMLRXSA-N 2 0 239.407 1.495 20 0 BDADRP CC[C@H]([NH2+][C@H](C)CCCC[NH3+])c1ccn(C)n1 ZINC000423431978 387284601 /nfs/dbraw/zinc/28/46/01/387284601.db2.gz MDJIQJRULOKEFP-NEPJUHHUSA-N 2 0 238.379 1.978 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]C[C@@H](CO)C2CC2)CC1 ZINC000353846438 387284710 /nfs/dbraw/zinc/28/47/10/387284710.db2.gz BDCQNONCLHXNRS-ZDUSSCGKSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423438339 387288667 /nfs/dbraw/zinc/28/86/67/387288667.db2.gz RHVKVTRJNFZEKG-ZIQFBCGOSA-N 2 0 208.349 1.619 20 0 BDADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000423440954 387289980 /nfs/dbraw/zinc/28/99/80/387289980.db2.gz XTSZMUIPCUWLPO-PDWLFKFUSA-N 2 0 208.349 1.619 20 0 BDADRP CCO[C@@H]1C[C@@H]1[NH2+][C@H](C)CCCC[NH3+] ZINC000514825147 387290195 /nfs/dbraw/zinc/29/01/95/387290195.db2.gz WFQMJZWUHSGUIT-OUAUKWLOSA-N 2 0 200.326 1.271 20 0 BDADRP C[C@H]([NH3+])[C@H](C)N[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000423440145 387290793 /nfs/dbraw/zinc/29/07/93/387290793.db2.gz APKHPHNLOPUKDY-YYHQMBLXSA-N 2 0 225.380 1.185 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C1CCC([NH+](C)C)CC1 ZINC000423446364 387294683 /nfs/dbraw/zinc/29/46/83/387294683.db2.gz YQOMFTDGRUKVTR-IYXRBSQSSA-N 3 0 241.423 1.966 20 0 BDADRP C[C@@H]([NH2+][C@H](C)C1CCSCC1)[C@H](C)[NH3+] ZINC000423445647 387295524 /nfs/dbraw/zinc/29/55/24/387295524.db2.gz MXVGTNCFNIGFEX-IVZWLZJFSA-N 2 0 216.394 1.843 20 0 BDADRP C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000643461977 387295864 /nfs/dbraw/zinc/29/58/64/387295864.db2.gz IICODKLRDQKENP-VOAKCMCISA-N 2 0 226.364 1.532 20 0 BDADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000423449813 387299531 /nfs/dbraw/zinc/29/95/31/387299531.db2.gz SEKJDAHDRBSGCU-PREPNJAASA-N 2 0 226.364 1.515 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000423454249 387301247 /nfs/dbraw/zinc/30/12/47/387301247.db2.gz BYPBILJPSJKJLE-RFGFWPKPSA-N 3 0 239.407 1.434 20 0 BDADRP CCN1C[C@H](C)[C@H]([NH2+][C@H](C)CCC[NH3+])C1 ZINC000423455312 387304780 /nfs/dbraw/zinc/30/47/80/387304780.db2.gz MKBBUQPEKIEXMO-QJPTWQEYSA-N 2 0 213.369 1.044 20 0 BDADRP C[C@H]1CCC[C@H](C)C1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423455739 387304804 /nfs/dbraw/zinc/30/48/04/387304804.db2.gz MRDBSQJYTBYEGS-HKLXJQGRSA-N 2 0 208.349 1.619 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1ccn(C)n1 ZINC000423473763 387318808 /nfs/dbraw/zinc/31/88/08/387318808.db2.gz OAVJSHDKHWTTNV-QJPTWQEYSA-N 2 0 236.363 1.588 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@@H](Cn1cccn1)C(C)C ZINC000423473091 387318881 /nfs/dbraw/zinc/31/88/81/387318881.db2.gz QNVWCNSQYAFAPX-NEPJUHHUSA-N 2 0 224.352 1.235 20 0 BDADRP C[C@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423459169 387306895 /nfs/dbraw/zinc/30/68/95/387306895.db2.gz RHVKVTRJNFZEKG-HHHUOAJASA-N 2 0 208.349 1.619 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1C[C@H]1C ZINC000321875581 387309350 /nfs/dbraw/zinc/30/93/50/387309350.db2.gz IEUJENQGICRGPI-NQBHXWOUSA-N 2 0 210.365 1.962 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)C1CCCC1 ZINC000423525650 387356070 /nfs/dbraw/zinc/35/60/70/387356070.db2.gz UNOLECPXQGFREP-WCQYABFASA-N 2 0 226.364 1.533 20 0 BDADRP [NH3+][C@@H]1C[C@H](NC[C@H]2CCCC[NH2+]2)c2ccccc21 ZINC000643502263 387362739 /nfs/dbraw/zinc/36/27/39/387362739.db2.gz BFFPKPRQTHQIIV-DFBGVHRSSA-N 2 0 245.370 1.863 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCC2=CC[NH2+]CC2)CN1C1CC1 ZINC000423537485 387364216 /nfs/dbraw/zinc/36/42/16/387364216.db2.gz KCBLVIKRLDBFEJ-GXTWGEPZSA-N 2 0 249.402 1.511 20 0 BDADRP CC(C)(C)CCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000313458510 387367126 /nfs/dbraw/zinc/36/71/26/387367126.db2.gz HTUCMIRLMYGRLE-CYBMUJFWSA-N 2 0 242.407 1.859 20 0 BDADRP COCCC[C@@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423543498 387368602 /nfs/dbraw/zinc/36/86/02/387368602.db2.gz BZBLBJZOQJBDMK-VXGBXAGGSA-N 2 0 214.353 1.533 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC12CCSCC2)C1C[NH2+]C1 ZINC000423554005 387372051 /nfs/dbraw/zinc/37/20/51/387372051.db2.gz RFFWEWZPDIETAS-JQWIXIFHSA-N 2 0 240.416 1.717 20 0 BDADRP C1C[C@@H]2C[C@@H](N[C@H]3CCCC[NH2+]C3)CC[N@@H+]2C1 ZINC000423550961 387372160 /nfs/dbraw/zinc/37/21/60/387372160.db2.gz IVTYCPHPDVWZJK-MELADBBJSA-N 2 0 237.391 1.345 20 0 BDADRP C[C@H](NCCC[NH2+]C1CC1)[C@H]1CCCC[NH2+]1 ZINC000423551643 387373278 /nfs/dbraw/zinc/37/32/78/387373278.db2.gz JFMLJTOMVLRDCQ-WCQYABFASA-N 2 0 225.380 1.249 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CC12CCSCC2)C1C[NH2+]C1 ZINC000423554008 387373570 /nfs/dbraw/zinc/37/35/70/387373570.db2.gz RFFWEWZPDIETAS-ZYHUDNBSSA-N 2 0 240.416 1.717 20 0 BDADRP COCC1CCC([NH2+][C@H]2CCCC[NH2+]C2)CC1 ZINC000423571528 387379671 /nfs/dbraw/zinc/37/96/71/387379671.db2.gz XRBAUXKVPUZGFG-RUXDESIVSA-N 2 0 240.391 1.923 20 0 BDADRP CC[C@H]([NH3+])CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423472936 387320013 /nfs/dbraw/zinc/32/00/13/387320013.db2.gz QLDZVZWSNNVZIZ-RFQIPJPRSA-N 2 0 239.407 1.624 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423474316 387321777 /nfs/dbraw/zinc/32/17/77/387321777.db2.gz HDMQXKOTQLYMMH-STQMWFEESA-N 3 0 227.396 1.626 20 0 BDADRP CCN1C[C@H](C)[C@H]([NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000423474444 387322252 /nfs/dbraw/zinc/32/22/52/387322252.db2.gz OVLVXCATIQOQAY-RFQIPJPRSA-N 2 0 239.407 1.434 20 0 BDADRP COCCC[C@H](C)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423478258 387324019 /nfs/dbraw/zinc/32/40/19/387324019.db2.gz KWDMHKMKYACOBQ-STQMWFEESA-N 2 0 228.380 1.923 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000643462674 387326453 /nfs/dbraw/zinc/32/64/53/387326453.db2.gz CRQYTDWASGZAAP-MELADBBJSA-N 2 0 237.391 1.188 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000423481993 387327337 /nfs/dbraw/zinc/32/73/37/387327337.db2.gz XHULNTMBVFANIN-CRWXNKLISA-N 3 0 239.407 1.754 20 0 BDADRP C[C@H]([NH3+])[C@H](C)N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423483500 387328823 /nfs/dbraw/zinc/32/88/23/387328823.db2.gz XWNYBYCUCNSOPL-VDUILEQBSA-N 2 0 219.332 1.457 20 0 BDADRP C[C@@H]1CSCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000575498019 387329473 /nfs/dbraw/zinc/32/94/73/387329473.db2.gz QVIZDYWEJOLJDQ-BBBLOLIVSA-N 2 0 200.351 1.161 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]([NH3+])CC)C12CCC2 ZINC000423484545 387330860 /nfs/dbraw/zinc/33/08/60/387330860.db2.gz YOMPYIVYWZRSSJ-GRYCIOLGSA-N 2 0 226.364 1.661 20 0 BDADRP Cc1nccnc1[C@H](C)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423485410 387332208 /nfs/dbraw/zinc/33/22/08/387332208.db2.gz ROAAOUPCAGVDHR-AAEUAGOBSA-N 2 0 248.374 1.968 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@H]2C[C@H]2C)C1 ZINC000321957016 387334711 /nfs/dbraw/zinc/33/47/11/387334711.db2.gz XXFGLYWWJITQGQ-LPWJVIDDSA-N 2 0 210.365 1.962 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCOC[C@H]2C)C1 ZINC000354148596 387335632 /nfs/dbraw/zinc/33/56/32/387335632.db2.gz YBHYIDWGSXZZSM-MCIONIFRSA-N 2 0 240.391 1.733 20 0 BDADRP CCc1ccccc1[C@@H](N)C[NH2+][C@H](C)CCC[NH3+] ZINC000423495645 387337988 /nfs/dbraw/zinc/33/79/88/387337988.db2.gz CHHORSNLYNYAEN-DOMZBBRYSA-N 2 0 249.402 1.966 20 0 BDADRP CCc1ccccc1[C@H](N)C[NH2+][C@H](C)CCC[NH3+] ZINC000423495646 387338083 /nfs/dbraw/zinc/33/80/83/387338083.db2.gz CHHORSNLYNYAEN-IUODEOHRSA-N 2 0 249.402 1.966 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000423495156 387338707 /nfs/dbraw/zinc/33/87/07/387338707.db2.gz DYBPOCPGHREQQE-RQJABVFESA-N 2 0 240.391 1.909 20 0 BDADRP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423496784 387338769 /nfs/dbraw/zinc/33/87/69/387338769.db2.gz XQJISWPSZPUENB-UTUOFQBUSA-N 2 0 212.337 1.143 20 0 BDADRP CC[N@@H+]1C[C@@H](C)[C@@H](N2C[C@@H](C)[C@](C)(C[NH3+])C2)C1 ZINC000423501191 387340743 /nfs/dbraw/zinc/34/07/43/387340743.db2.gz AYZMSWIPAUKMOR-YIYPIFLZSA-N 2 0 239.407 1.243 20 0 BDADRP CC[C@H]([NH2+]CCCC[NH+](C)C)[C@@H]1CCOC1 ZINC000303393206 387349021 /nfs/dbraw/zinc/34/90/21/387349021.db2.gz KRVUMVPFMVBECG-OLZOCXBDSA-N 2 0 228.380 1.733 20 0 BDADRP CCC(O)(CC)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000121887951 387428065 /nfs/dbraw/zinc/42/80/65/387428065.db2.gz SXSJSETXRGJOQE-VXGBXAGGSA-N 2 0 228.380 1.610 20 0 BDADRP CCCC[N@H+](C)CCN[C@@H]1CC[NH+](C)C[C@H]1C ZINC000361399442 387454613 /nfs/dbraw/zinc/45/46/13/387454613.db2.gz FNXOYGHNRCRIGF-ZIAGYGMSSA-N 2 0 241.423 1.648 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](O)C1(C)C ZINC000361405166 387454680 /nfs/dbraw/zinc/45/46/80/387454680.db2.gz WTQOBTSVDCFBOD-GFCCVEGCSA-N 2 0 228.380 1.564 20 0 BDADRP CCOC(=O)CC[NH+]1CCC(CC[NH3+])CC1 ZINC000516075600 387456101 /nfs/dbraw/zinc/45/61/01/387456101.db2.gz BQVXBUQZQIAYND-UHFFFAOYSA-N 2 0 228.336 1.000 20 0 BDADRP CC[C@H](Cc1cccs1)NCC[NH2+]C ZINC000643504474 387418226 /nfs/dbraw/zinc/41/82/26/387418226.db2.gz WJORPSRUNRBNQL-SNVBAGLBSA-N 2 0 212.362 1.878 20 0 BDADRP CC[N@H+](CC[C@H]1CCC[NH+]1C)C[C@@H](C)OC ZINC000361572275 387499179 /nfs/dbraw/zinc/49/91/79/387499179.db2.gz CQFMPVWHRJDCCV-CHWSQXEVSA-N 2 0 228.380 1.828 20 0 BDADRP COC(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000122230031 387501064 /nfs/dbraw/zinc/50/10/64/387501064.db2.gz LWKQILSUPXENCC-IJLUTSLNSA-N 2 0 228.380 1.730 20 0 BDADRP C[C@@H](C[NH2+][C@@H]1COC(C)(C)C1)C[NH+]1CCCC1 ZINC000396870046 387506155 /nfs/dbraw/zinc/50/61/55/387506155.db2.gz XBYLSKAMJLQAAK-STQMWFEESA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)(C)[NH+]1CCC(NCC[NH2+]C2CC2)CC1 ZINC000643506052 387465427 /nfs/dbraw/zinc/46/54/27/387465427.db2.gz JFHXBUVLHLRJTF-UHFFFAOYSA-N 2 0 239.407 1.591 20 0 BDADRP CC[C@@H]([NH2+]C1CCC(CO)CC1)[C@@H]1CCC[NH2+]1 ZINC000643471301 387479416 /nfs/dbraw/zinc/47/94/16/387479416.db2.gz PKZGIRJODPOWMZ-PQAZSJQKSA-N 2 0 240.391 1.658 20 0 BDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NCC[NH2+]C1CC1 ZINC000643508063 387481612 /nfs/dbraw/zinc/48/16/12/387481612.db2.gz HQTBSHCMDFAFJV-TZMCWYRMSA-N 2 0 239.407 1.639 20 0 BDADRP C[C@](O)(C[NH2+][C@H]1CCCCC[C@H]1[NH3+])C1CC1 ZINC000643473014 387485566 /nfs/dbraw/zinc/48/55/66/387485566.db2.gz KJQHTQPWJPIGFR-AGIUHOORSA-N 2 0 226.364 1.397 20 0 BDADRP CC(C)[NH2+]CCC[NH2+][C@H](C)C1CCOCC1 ZINC000643508364 387488419 /nfs/dbraw/zinc/48/84/19/387488419.db2.gz VQAFQKKUHXSLHV-GFCCVEGCSA-N 2 0 228.380 1.779 20 0 BDADRP CCC1(O)CCC([NH2+][C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000643474162 387488435 /nfs/dbraw/zinc/48/84/35/387488435.db2.gz LGMZRBFJWQJLLW-IALDZJHCSA-N 2 0 228.380 1.786 20 0 BDADRP COCC[C@H](C)[NH2+]CCC1CC[NH+](C)CC1 ZINC000122142001 387488503 /nfs/dbraw/zinc/48/85/03/387488503.db2.gz JMCYCKRDTCXRRB-LBPRGKRZSA-N 2 0 228.380 1.733 20 0 BDADRP CCC1(O)CCC([NH2+][C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000643474265 387488969 /nfs/dbraw/zinc/48/89/69/387488969.db2.gz ZGWJMJVAGSEDDB-AHPWVWPOSA-N 2 0 240.391 1.787 20 0 BDADRP CC(C)[NH2+]CCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000643508343 387489152 /nfs/dbraw/zinc/48/91/52/387489152.db2.gz PDMRCIIKTVYGID-ZIAGYGMSSA-N 3 0 239.407 1.591 20 0 BDADRP CCC[C@H](C)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000336691982 387580714 /nfs/dbraw/zinc/58/07/14/387580714.db2.gz HJFZVSAQRLUAMC-KBPBESRZSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]1F)[C@H]1CCC[NH2+]C1 ZINC000643491331 387584936 /nfs/dbraw/zinc/58/49/36/387584936.db2.gz PTBMRXCRDDZHCS-FIQHERPVSA-N 2 0 214.328 1.855 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CC[C@@H](C)C1 ZINC000234702929 134583031 /nfs/dbraw/zinc/58/30/31/134583031.db2.gz LLJSUYYAQLFIQW-WOPDTQHZSA-N 2 0 214.353 1.519 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000305287231 387591946 /nfs/dbraw/zinc/59/19/46/387591946.db2.gz DBNPCGQTBCZYEG-IGQOVBAYSA-N 2 0 240.391 1.610 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)C1 ZINC000643511802 387594137 /nfs/dbraw/zinc/59/41/37/387594137.db2.gz PCGCAWMGWFRQBO-QJPTWQEYSA-N 2 0 214.353 1.517 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@H](C)C[NH3+])C1 ZINC000643514789 387599747 /nfs/dbraw/zinc/59/97/47/387599747.db2.gz DQFZNYSBLZVRQO-OUAUKWLOSA-N 2 0 200.326 1.128 20 0 BDADRP COCC(C)(C)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422561669 387602346 /nfs/dbraw/zinc/60/23/46/387602346.db2.gz MSANOKBPYOIALP-UHFFFAOYSA-N 2 0 226.364 1.487 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000122801123 387605040 /nfs/dbraw/zinc/60/50/40/387605040.db2.gz RUODWFOEXUJHCC-KXNHARMFSA-N 2 0 226.364 1.625 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](CCOCC2CC2)C[C@H]1C[NH3+] ZINC000422635893 387611547 /nfs/dbraw/zinc/61/15/47/387611547.db2.gz LZXJLNXFNIIXIB-MBNYWOFBSA-N 2 0 240.391 1.718 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422690351 387612344 /nfs/dbraw/zinc/61/23/44/387612344.db2.gz GDOGFQGZYDRVGU-MGPQQGTHSA-N 3 0 239.407 1.306 20 0 BDADRP COC[C@@H](C)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422699782 387615026 /nfs/dbraw/zinc/61/50/26/387615026.db2.gz FFKBMRBVGSSJLW-TUAOUCFPSA-N 2 0 214.353 1.389 20 0 BDADRP CC[N@@H+]1CC[C@H](CN[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000422698411 387615306 /nfs/dbraw/zinc/61/53/06/387615306.db2.gz ZESBWWUCXIWOBL-HZSPNIEDSA-N 2 0 239.407 1.578 20 0 BDADRP COC[C@H](C)C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422702336 387617686 /nfs/dbraw/zinc/61/76/86/387617686.db2.gz KNNDBUDHDYESRL-IJLUTSLNSA-N 2 0 214.353 1.519 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH+]1C)C[C@@H]1CCC[C@H]1O ZINC000305636549 387618346 /nfs/dbraw/zinc/61/83/46/387618346.db2.gz ORZLZNOGZKVUTC-MELADBBJSA-N 2 0 240.391 1.564 20 0 BDADRP C[C@H](O)CC[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000305651446 387622908 /nfs/dbraw/zinc/62/29/08/387622908.db2.gz CDFYVSCOOLYWIO-NWDGAFQWSA-N 2 0 214.353 1.173 20 0 BDADRP OC1CCC([NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000527533186 387622804 /nfs/dbraw/zinc/62/28/04/387622804.db2.gz RECUKLWOEMERKC-MCIGGMRASA-N 2 0 224.348 1.164 20 0 BDADRP CCCC[N@H+](C)CCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000422708933 387623299 /nfs/dbraw/zinc/62/32/99/387623299.db2.gz JVXFOPUSMXIDOH-QWHCGFSZSA-N 2 0 227.396 1.435 20 0 BDADRP CCC[NH+](CCC)CCCN[C@H]1CCC[C@H]1[NH3+] ZINC000422712364 387625052 /nfs/dbraw/zinc/62/50/52/387625052.db2.gz OBGOAYWKEWHTTL-KGLIPLIRSA-N 2 0 241.423 1.968 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422715148 387627816 /nfs/dbraw/zinc/62/78/16/387627816.db2.gz RVUBJJKFDAUQQX-ZDEQEGDKSA-N 2 0 228.380 1.371 20 0 BDADRP C[C@H](CN[C@H]1CCC[C@H]1[NH3+])C[NH+]1CCCC1 ZINC000422716853 387627930 /nfs/dbraw/zinc/62/79/30/387627930.db2.gz KDCHDPBNYUJGOZ-UPJWGTAASA-N 2 0 225.380 1.188 20 0 BDADRP C[C@](C[NH3+])([NH2+]CCOCC(F)(F)F)C1CC1 ZINC000430579629 387630037 /nfs/dbraw/zinc/63/00/37/387630037.db2.gz QZTGZMQJOHVDLG-SECBINFHSA-N 2 0 240.269 1.282 20 0 BDADRP CC(C)C[C@@H](C[NH+](C)C)N[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422717127 387630487 /nfs/dbraw/zinc/63/04/87/387630487.db2.gz OGVDQHSTVGMRHD-RDBSUJKOSA-N 2 0 241.423 1.693 20 0 BDADRP CCCCNC(=O)CC[NH2+][C@@](C)(CN)C1CC1 ZINC000430592969 387631076 /nfs/dbraw/zinc/63/10/76/387631076.db2.gz NZYPFERAJCKPPJ-ZDUSSCGKSA-N 2 0 241.379 1.010 20 0 BDADRP CN(CC[N@@H+]1CCC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000430614287 387632342 /nfs/dbraw/zinc/63/23/42/387632342.db2.gz XWFVYIRGBNKRSW-AWEZNQCLSA-N 2 0 247.386 1.794 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@H+](CCCCCOC)C1 ZINC000430605975 387633556 /nfs/dbraw/zinc/63/35/56/387633556.db2.gz VBUIXCXDSVQAEC-CYBMUJFWSA-N 2 0 228.380 1.735 20 0 BDADRP Cc1nccn1CCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000422724547 387633525 /nfs/dbraw/zinc/63/35/25/387633525.db2.gz VYQDRJDHWBNTRY-QWHCGFSZSA-N 2 0 236.363 1.299 20 0 BDADRP CC[C@H]([NH2+]C[C@@]1(C)CCOC1)[C@@H]1CCC[NH2+]1 ZINC000422727816 387634973 /nfs/dbraw/zinc/63/49/73/387634973.db2.gz HZABLYZFJSYXLD-RWMBFGLXSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C1CC1 ZINC000422726320 387635385 /nfs/dbraw/zinc/63/53/85/387635385.db2.gz DOCAHCWLULISJH-MFKMUULPSA-N 2 0 204.317 1.697 20 0 BDADRP CC(C)c1ncc2c(n1)CCN(CCC[NH3+])C2 ZINC000527617004 387639316 /nfs/dbraw/zinc/63/93/16/387639316.db2.gz UQUJXICZJCWLHA-UHFFFAOYSA-N 2 0 234.347 1.307 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCC1CCOCC1 ZINC000422731741 387640234 /nfs/dbraw/zinc/64/02/34/387640234.db2.gz OCMDHKCTLRPCEF-JSGCOSHPSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)N(C)C ZINC000422734314 387642612 /nfs/dbraw/zinc/64/26/12/387642612.db2.gz CJHQOARGFLVSKH-UNXYVOJBSA-N 2 0 213.369 1.044 20 0 BDADRP CC[C@@H]1CCCC[N@@H+]1CCN[C@@H](C)C[C@@H](C)[NH3+] ZINC000422734459 387643193 /nfs/dbraw/zinc/64/31/93/387643193.db2.gz SITVRCNSWJENMW-HZSPNIEDSA-N 2 0 241.423 1.966 20 0 BDADRP CCC[C@H]([NH3+])C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000430729113 387644582 /nfs/dbraw/zinc/64/45/82/387644582.db2.gz FGASFDFLWFKKRH-WDEREUQCSA-N 2 0 241.379 1.008 20 0 BDADRP C[N@H+](CCN[C@@H]1CCC[C@H]1[NH3+])C1CCCC1 ZINC000422739853 387644654 /nfs/dbraw/zinc/64/46/54/387644654.db2.gz MAWYYMCSQXKWNT-CHWSQXEVSA-N 2 0 225.380 1.330 20 0 BDADRP C[C@@H]1CCNC[C@H]1[NH2+]CCC1CC[NH+](C)CC1 ZINC000422738948 387644922 /nfs/dbraw/zinc/64/49/22/387644922.db2.gz KNGAQGYZGMZZHQ-TZMCWYRMSA-N 2 0 239.407 1.306 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@]1(C)CCOC1 ZINC000422738682 387645592 /nfs/dbraw/zinc/64/55/92/387645592.db2.gz ZCEISWKPFUEFMC-FRRDWIJNSA-N 2 0 226.364 1.391 20 0 BDADRP Cc1nc(C)c(C[NH2+][C@@H](C)C[C@H](C)[NH3+])s1 ZINC000422793982 387695269 /nfs/dbraw/zinc/69/52/69/387695269.db2.gz XWNMGZNQTYVPPB-YUMQZZPRSA-N 2 0 227.377 1.975 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)C1 ZINC000643518642 387651930 /nfs/dbraw/zinc/65/19/30/387651930.db2.gz HISGWUXGOIUMIX-BFHYXJOUSA-N 2 0 240.391 1.923 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000643518646 387652361 /nfs/dbraw/zinc/65/23/61/387652361.db2.gz HISGWUXGOIUMIX-MJBXVCDLSA-N 2 0 240.391 1.923 20 0 BDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)CCC[NH3+])C[C@@H]1C ZINC000430799141 387652645 /nfs/dbraw/zinc/65/26/45/387652645.db2.gz APCDWZGBANJMME-NWDGAFQWSA-N 2 0 241.379 1.057 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)C1 ZINC000643518645 387652788 /nfs/dbraw/zinc/65/27/88/387652788.db2.gz HISGWUXGOIUMIX-MGPQQGTHSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCCO1 ZINC000422748977 387654022 /nfs/dbraw/zinc/65/40/22/387654022.db2.gz WXQAPKIGNZUZBM-WOPDTQHZSA-N 2 0 212.337 1.143 20 0 BDADRP CCN1CCC[C@H]1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422750706 387655218 /nfs/dbraw/zinc/65/52/18/387655218.db2.gz DMWZHFCVZITIFH-RUXDESIVSA-N 3 0 239.407 1.578 20 0 BDADRP CSCCCC[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422755587 387658807 /nfs/dbraw/zinc/65/88/07/387658807.db2.gz KRCOFPIPLFQBHE-UWVGGRQHSA-N 2 0 204.383 1.845 20 0 BDADRP CS[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C2C[NH2+]C2)C1 ZINC000422752762 387659318 /nfs/dbraw/zinc/65/93/18/387659318.db2.gz DAOKOYMNBAUWAD-MVWJERBFSA-N 2 0 228.405 1.858 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCOc1ccccc1F ZINC000422757846 387660767 /nfs/dbraw/zinc/66/07/67/387660767.db2.gz NAYJHMGBSYNUMY-WDEREUQCSA-N 2 0 240.322 1.920 20 0 BDADRP C[C@H]([NH2+]CCSc1ccccc1)C1C[NH2+]C1 ZINC000422761396 387663874 /nfs/dbraw/zinc/66/38/74/387663874.db2.gz HORFIOFDSJYAPM-NSHDSACASA-N 2 0 236.384 1.976 20 0 BDADRP CC(C)(O)CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000362861201 387665454 /nfs/dbraw/zinc/66/54/54/387665454.db2.gz XHJUDPNWEUOXFJ-ZDUSSCGKSA-N 2 0 240.391 1.565 20 0 BDADRP CCOCCC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431032563 387671013 /nfs/dbraw/zinc/67/10/13/387671013.db2.gz DACMZYOJXMOQEV-UHFFFAOYSA-N 2 0 226.364 1.489 20 0 BDADRP COc1ccc([C@@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000422776080 387671819 /nfs/dbraw/zinc/67/18/19/387671819.db2.gz CDAWUJICTIBYHK-MNOVXSKESA-N 2 0 234.343 1.954 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NCCC[NH+]1CCC(C)CC1 ZINC000422775388 387672868 /nfs/dbraw/zinc/67/28/68/387672868.db2.gz BLOWNJDNNYYJGL-UONOGXRCSA-N 2 0 241.423 1.824 20 0 BDADRP COc1ccc([C@H](C)[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000422776082 387672891 /nfs/dbraw/zinc/67/28/91/387672891.db2.gz CDAWUJICTIBYHK-WDEREUQCSA-N 2 0 234.343 1.954 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1NCCC[NH+]1CCCCC1 ZINC000422777296 387675494 /nfs/dbraw/zinc/67/54/94/387675494.db2.gz CAVPGTJLZSTKGL-CHWSQXEVSA-N 2 0 225.380 1.332 20 0 BDADRP C[C@@H]([NH3+])CCNC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000422776579 387675720 /nfs/dbraw/zinc/67/57/20/387675720.db2.gz DADGQRHUHCIBCB-ZYHUDNBSSA-N 2 0 241.379 1.138 20 0 BDADRP CC(C)COCCC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422778731 387677270 /nfs/dbraw/zinc/67/72/70/387677270.db2.gz DXPMSUSROBPTGF-NWDGAFQWSA-N 2 0 216.369 1.765 20 0 BDADRP CC(C)[C@H](O)CC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000422780917 387677589 /nfs/dbraw/zinc/67/75/89/387677589.db2.gz KZCATSBKKSOJKA-FRRDWIJNSA-N 2 0 228.380 1.501 20 0 BDADRP C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)[C@H]1CCC[NH2+]1 ZINC000422779646 387677716 /nfs/dbraw/zinc/67/77/16/387677716.db2.gz IOQCBBJTFLFKOX-KIJLLGNVSA-N 2 0 238.375 1.530 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCOCC1CC1 ZINC000422782231 387680451 /nfs/dbraw/zinc/68/04/51/387680451.db2.gz JPLHJQIFPTWLDH-JSGCOSHPSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NCCC[NH+]1CCCC1 ZINC000422781734 387681482 /nfs/dbraw/zinc/68/14/82/387681482.db2.gz IZGMVTSKLXFRJU-RYUDHWBXSA-N 2 0 213.369 1.188 20 0 BDADRP C[C@@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)C[C@H](C)O ZINC000422783808 387682709 /nfs/dbraw/zinc/68/27/09/387682709.db2.gz NGNURYYVFSOICH-MROQNXINSA-N 2 0 228.380 1.514 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000422783529 387682926 /nfs/dbraw/zinc/68/29/26/387682926.db2.gz OFQAFGBGCOVDOF-XQHKEYJVSA-N 2 0 225.380 1.057 20 0 BDADRP COC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)C(C)C ZINC000126502720 387684911 /nfs/dbraw/zinc/68/49/11/387684911.db2.gz UXPOBKJQSAFYKD-UONOGXRCSA-N 2 0 242.407 1.979 20 0 BDADRP CC(C)CCOCC[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422786825 387687771 /nfs/dbraw/zinc/68/77/71/387687771.db2.gz SYMOKIQIKZLDAU-VXGBXAGGSA-N 2 0 216.369 1.765 20 0 BDADRP CCc1ccccc1C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422788701 387688924 /nfs/dbraw/zinc/68/89/24/387688924.db2.gz STAMHESWUDUIQF-LLVKDONJSA-N 2 0 218.344 1.947 20 0 BDADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)C2C[NH2+]C2)CC1 ZINC000422742771 387691208 /nfs/dbraw/zinc/69/12/08/387691208.db2.gz QJYYZJMESAPMAW-LBPRGKRZSA-N 3 0 239.407 1.306 20 0 BDADRP CCCCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422742932 387691260 /nfs/dbraw/zinc/69/12/60/387691260.db2.gz HHLLWBVXVHGDNQ-HZSPNIEDSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1NCC[N@@H+]1CCCC[C@@H]1C ZINC000422862914 387743172 /nfs/dbraw/zinc/74/31/72/387743172.db2.gz OECOOLQGXNDCLW-RDBSUJKOSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H](CN[C@@H]1CCC[C@H]1[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC000422862915 387743676 /nfs/dbraw/zinc/74/36/76/387743676.db2.gz OFAPJCXSGMWNMR-AAVRWANBSA-N 2 0 239.407 1.576 20 0 BDADRP C[C@@H]1CCC[N@H+](CCN[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000422861986 387744186 /nfs/dbraw/zinc/74/41/86/387744186.db2.gz PGOBPEAJEDUIBY-RDBSUJKOSA-N 2 0 239.407 1.435 20 0 BDADRP C[NH+](C)C[C@@H]1CN(CC2CCC2)CCO1 ZINC000441307981 387745569 /nfs/dbraw/zinc/74/55/69/387745569.db2.gz WXILOSCSZFTQJY-GFCCVEGCSA-N 2 0 212.337 1.049 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H](C)N1CCCC[C@H]1C ZINC000422869141 387748628 /nfs/dbraw/zinc/74/86/28/387748628.db2.gz WSSWSBMJSHDIRY-MGPQQGTHSA-N 3 0 241.423 1.966 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000422869938 387750629 /nfs/dbraw/zinc/75/06/29/387750629.db2.gz WVRNIXHOPXEWLO-WOPDTQHZSA-N 3 0 225.380 1.329 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000422868275 387750974 /nfs/dbraw/zinc/75/09/74/387750974.db2.gz UTCMOWBVFJMMON-AVGNSLFASA-N 2 0 227.396 1.434 20 0 BDADRP C[C@H]([NH2+]CCCOc1ccccc1)C1C[NH2+]C1 ZINC000422793800 387696780 /nfs/dbraw/zinc/69/67/80/387696780.db2.gz SUMXKHONYFGKEY-LBPRGKRZSA-N 2 0 234.343 1.653 20 0 BDADRP Cc1cc(C[NH2+][C@@H](C)C2C[NH2+]C2)ccc1F ZINC000422799827 387699167 /nfs/dbraw/zinc/69/91/67/387699167.db2.gz YSIMQCYSCHPHLH-JTQLQIEISA-N 2 0 222.307 1.832 20 0 BDADRP Cc1cccc(C[NH2+][C@@H](C)C2C[NH2+]C2)c1 ZINC000422801105 387701156 /nfs/dbraw/zinc/70/11/56/387701156.db2.gz DOYMCQLGZXJNBL-NSHDSACASA-N 2 0 204.317 1.693 20 0 BDADRP C[C@@H]([NH2+]CCc1ccsc1)C1C[NH2+]C1 ZINC000422801345 387702861 /nfs/dbraw/zinc/70/28/61/387702861.db2.gz BTJXMIPDAAEDGL-SECBINFHSA-N 2 0 210.346 1.488 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000422802259 387703584 /nfs/dbraw/zinc/70/35/84/387703584.db2.gz DEUNDYWIRVOVBS-XQQFMLRXSA-N 2 0 232.327 1.460 20 0 BDADRP COCC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000045035623 387704606 /nfs/dbraw/zinc/70/46/06/387704606.db2.gz CMRRGVDQNCVGFU-RYUDHWBXSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCN1CCCCC1 ZINC000422809352 387707046 /nfs/dbraw/zinc/70/70/46/387707046.db2.gz MBRVFQZBBVRSQQ-KBPBESRZSA-N 2 0 239.407 1.450 20 0 BDADRP CCC1(C[NH2+][C@@H]2CCC[C@H]2[NH3+])CCOCC1 ZINC000422814176 387710752 /nfs/dbraw/zinc/71/07/52/387710752.db2.gz TYBJYKMWSCYIKI-VXGBXAGGSA-N 2 0 226.364 1.663 20 0 BDADRP CCC1(C[NH2+][C@@H](C)C[C@H](C)[NH3+])CCOCC1 ZINC000422814019 387711879 /nfs/dbraw/zinc/71/18/79/387711879.db2.gz SWZHMVSNBICBQA-RYUDHWBXSA-N 2 0 228.380 1.909 20 0 BDADRP CCCCOCCOCC[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422813156 387712352 /nfs/dbraw/zinc/71/23/52/387712352.db2.gz XPTWUWWMPTVCAH-STQMWFEESA-N 2 0 244.379 1.289 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC1(CCO)CCCC1 ZINC000422812824 387712434 /nfs/dbraw/zinc/71/24/34/387712434.db2.gz RBGZPTZLSXAPEW-NEPJUHHUSA-N 2 0 228.380 1.645 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@]1(C)CCCC[C@@H]1O ZINC000422817005 387714816 /nfs/dbraw/zinc/71/48/16/387714816.db2.gz BYOWSWOYKPKSST-CYDGBPFRSA-N 2 0 228.380 1.643 20 0 BDADRP C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1ccc2c(c1)OCO2 ZINC000422814669 387714847 /nfs/dbraw/zinc/71/48/47/387714847.db2.gz VWIBEZVZNSAMIS-NXEZZACHSA-N 2 0 248.326 1.674 20 0 BDADRP C[C@H]([NH2+]CC1(c2ccccc2)CC1)C1C[NH2+]C1 ZINC000422815347 387715285 /nfs/dbraw/zinc/71/52/85/387715285.db2.gz XLDVCJXSKUIQNL-LBPRGKRZSA-N 2 0 230.355 1.916 20 0 BDADRP COCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643521783 387716213 /nfs/dbraw/zinc/71/62/13/387716213.db2.gz BNGGJORYQXSYBG-MELADBBJSA-N 2 0 240.391 1.923 20 0 BDADRP CC(C)C[C@H](CN[C@@H](C)C[C@@H](C)[NH3+])[NH+](C)C ZINC000422820791 387716975 /nfs/dbraw/zinc/71/69/75/387716975.db2.gz SFYWYZNACNKXAQ-FRRDWIJNSA-N 2 0 229.412 1.678 20 0 BDADRP C[C@H]([NH2+]C[C@@]1(C)CCCC[C@@H]1O)C1C[NH2+]C1 ZINC000422818698 387718686 /nfs/dbraw/zinc/71/86/86/387718686.db2.gz GXFFTKIMJFPOLM-WCFLWFBJSA-N 2 0 226.364 1.125 20 0 BDADRP CCC[C@H](NC[C@H](C)[NH3+])c1ccccn1 ZINC000643527794 387755596 /nfs/dbraw/zinc/75/55/96/387755596.db2.gz STWFVVNTSMIZGH-QWRGUYRKSA-N 2 0 207.321 1.860 20 0 BDADRP CC[C@H](N[C@@H]1CCC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000643523006 387726029 /nfs/dbraw/zinc/72/60/29/387726029.db2.gz SYWFZDFECLRWEY-AGIUHOORSA-N 2 0 225.380 1.249 20 0 BDADRP CCC[N@H+](CC)CCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422832551 387726947 /nfs/dbraw/zinc/72/69/47/387726947.db2.gz XYAMMMLXJOCLHO-UONOGXRCSA-N 2 0 241.423 1.696 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000422835711 387729517 /nfs/dbraw/zinc/72/95/17/387729517.db2.gz IYKBCSLNJTUEBV-JHJVBQTASA-N 3 0 227.396 1.576 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCOC1 ZINC000162989124 387730573 /nfs/dbraw/zinc/73/05/73/387730573.db2.gz NCRFDDAQEFVWAA-NWDGAFQWSA-N 2 0 212.337 1.097 20 0 BDADRP COC1CCC(C[NH2+][C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000422841722 387731074 /nfs/dbraw/zinc/73/10/74/387731074.db2.gz WRSWCUZNNIEZQX-ZSVAQUKISA-N 2 0 228.380 1.907 20 0 BDADRP C[C@]1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCO1 ZINC000128069131 387733994 /nfs/dbraw/zinc/73/39/94/387733994.db2.gz BAVRBHCOWLQPJT-BFHYXJOUSA-N 2 0 238.375 1.772 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)C1(C)C ZINC000422849385 387734753 /nfs/dbraw/zinc/73/47/53/387734753.db2.gz LTTRTUCAXRRJHO-MROQNXINSA-N 2 0 240.391 1.778 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000422850298 387735045 /nfs/dbraw/zinc/73/50/45/387735045.db2.gz CVUFHLCWFHOKLO-JHJVBQTASA-N 2 0 239.407 1.719 20 0 BDADRP C[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[N@@H+]1C1CC1 ZINC000422858609 387739857 /nfs/dbraw/zinc/73/98/57/387739857.db2.gz GPZVDXRVTLXRIV-MWWBDVBNSA-N 2 0 249.402 1.484 20 0 BDADRP C[C@@H]1CCCC[N@@H+]1CCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000422859040 387740002 /nfs/dbraw/zinc/74/00/02/387740002.db2.gz JLZZOSQWQXNHBM-HZSPNIEDSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@H]([NH3+])C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000643527386 387762602 /nfs/dbraw/zinc/76/26/02/387762602.db2.gz LZCIKTYABCDMAI-UMSGYPCISA-N 2 0 226.364 1.519 20 0 BDADRP CC(C)CO[C@@H]1C[C@@H]([NH2+]C[C@H](C)[NH3+])C1(C)C ZINC000643527521 387766656 /nfs/dbraw/zinc/76/66/56/387766656.db2.gz NWPUWFPYVHMYCU-QJPTWQEYSA-N 2 0 228.380 1.763 20 0 BDADRP CC[C@@H](C)[N@H+](C)CCN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422904253 387767472 /nfs/dbraw/zinc/76/74/72/387767472.db2.gz GNCBGPRXOGLXKM-FRRDWIJNSA-N 2 0 227.396 1.447 20 0 BDADRP CC[N@@H+]1CCCC[C@H]1CN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422909507 387768938 /nfs/dbraw/zinc/76/89/38/387768938.db2.gz OEZNWYRHNOBTCS-MELADBBJSA-N 2 0 239.407 1.591 20 0 BDADRP CCn1cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cn1 ZINC000422909227 387769999 /nfs/dbraw/zinc/76/99/99/387769999.db2.gz FJMBSRSDLRJUCP-NXEZZACHSA-N 2 0 210.325 1.118 20 0 BDADRP C[C@@H]([NH3+])C[NH2+]C1CCC2(CCOCC2)CC1 ZINC000643528815 387772253 /nfs/dbraw/zinc/77/22/53/387772253.db2.gz PGJQRCLLYUDNDE-LLVKDONJSA-N 2 0 226.364 1.663 20 0 BDADRP CC[C@@H](O)CCC[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422915503 387773612 /nfs/dbraw/zinc/77/36/12/387773612.db2.gz BCLOYMSLWBPCJC-UPJWGTAASA-N 2 0 228.380 1.658 20 0 BDADRP CC(C)[C@@H]1OCCC[C@H]1C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422921239 387775725 /nfs/dbraw/zinc/77/57/25/387775725.db2.gz PGWGXHMGTQXPPF-DYEKYZERSA-N 2 0 240.391 1.635 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CCSC1 ZINC000422920231 387776025 /nfs/dbraw/zinc/77/60/25/387776025.db2.gz LZCYFABOSPRDJU-OUAUKWLOSA-N 2 0 214.378 1.470 20 0 BDADRP C[C@H]([NH3+])C[NH2+][C@H]1CCCc2ccccc2C1 ZINC000643529675 387776889 /nfs/dbraw/zinc/77/68/89/387776889.db2.gz LPWGKVHBZXPBJV-FZMZJTMJSA-N 2 0 218.344 1.871 20 0 BDADRP Cc1ccncc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000130516784 387782508 /nfs/dbraw/zinc/78/25/08/387782508.db2.gz CKRMYMMEBZFVAF-CFVMTHIKSA-N 2 0 245.370 1.949 20 0 BDADRP CCC1(CC)[C@H]([NH2+]C2CC[NH2+]CC2)C[C@H]1OC ZINC000422934877 387783083 /nfs/dbraw/zinc/78/30/83/387783083.db2.gz GOQKXDNMOALMKY-CHWSQXEVSA-N 2 0 240.391 1.922 20 0 BDADRP CO[C@@H](C)CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422900704 387785461 /nfs/dbraw/zinc/78/54/61/387785461.db2.gz JWYBTGXTGLAWRA-DCAQKATOSA-N 2 0 200.326 1.142 20 0 BDADRP CO[C@H](C)CC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422901982 387787401 /nfs/dbraw/zinc/78/74/01/387787401.db2.gz MBGAJKXEGFLKDM-WOPDTQHZSA-N 2 0 214.353 1.661 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000422902696 387787751 /nfs/dbraw/zinc/78/77/51/387787751.db2.gz VANOIOMUWMSSIM-RQJABVFESA-N 2 0 237.391 1.201 20 0 BDADRP CC[C@H](CCO)[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422980248 387790638 /nfs/dbraw/zinc/79/06/38/387790638.db2.gz OYXAYXFVAPZBMY-WOPDTQHZSA-N 2 0 214.353 1.397 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCSCCCO ZINC000422981245 387791565 /nfs/dbraw/zinc/79/15/65/387791565.db2.gz SJNBOTRAXCGDLB-NWDGAFQWSA-N 2 0 246.420 1.080 20 0 BDADRP CC[C@H](CCO)[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422980245 387791790 /nfs/dbraw/zinc/79/17/90/387791790.db2.gz OYXAYXFVAPZBMY-GRYCIOLGSA-N 2 0 214.353 1.397 20 0 BDADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422980547 387791912 /nfs/dbraw/zinc/79/19/12/387791912.db2.gz QINNTZBMFTUPEA-MNOVXSKESA-N 2 0 234.343 1.521 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc2c(c1)COC2 ZINC000422986709 387796311 /nfs/dbraw/zinc/79/63/11/387796311.db2.gz DHFVPIVKGNPQPR-GHMZBOCLSA-N 2 0 234.343 1.932 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCc1ccc(O)cc1 ZINC000422985284 387796791 /nfs/dbraw/zinc/79/67/91/387796791.db2.gz CYPHNEQCSYXBDR-GHMZBOCLSA-N 2 0 222.332 1.650 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000422988325 387798115 /nfs/dbraw/zinc/79/81/15/387798115.db2.gz KKMPJCORBJOCJG-OPQQBVKSSA-N 2 0 240.322 1.575 20 0 BDADRP C[C@H]([NH2+]CCC[C@@H]1CCCC[C@@H]1O)C1C[NH2+]C1 ZINC000422991347 387800330 /nfs/dbraw/zinc/80/03/30/387800330.db2.gz PKSRSMBXXVCDTE-OBJOEFQTSA-N 2 0 240.391 1.515 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H](CO)c1ccccc1 ZINC000422990084 387801092 /nfs/dbraw/zinc/80/10/92/387801092.db2.gz BMLJZXDLNDJQGA-SCRDCRAPSA-N 2 0 236.359 1.478 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000422994209 387803134 /nfs/dbraw/zinc/80/31/34/387803134.db2.gz UXAGCQBLODCKIG-IJLUTSLNSA-N 2 0 213.369 1.044 20 0 BDADRP CC[C@H](C[NH2+][C@@H](C)CCCC[NH3+])N1CCCC1 ZINC000422962879 387813261 /nfs/dbraw/zinc/81/32/61/387813261.db2.gz GXVGATFUECMVFM-UONOGXRCSA-N 2 0 241.423 1.968 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](CO)CC(C)(C)C ZINC000423000951 387805012 /nfs/dbraw/zinc/80/50/12/387805012.db2.gz WJMCEWJEIOBXFX-AXFHLTTASA-N 2 0 216.369 1.499 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](CO)CC(C)(C)C ZINC000423000954 387805977 /nfs/dbraw/zinc/80/59/77/387805977.db2.gz WJMCEWJEIOBXFX-HBNTYKKESA-N 2 0 216.369 1.499 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCCc1ccccn1 ZINC000423002233 387806951 /nfs/dbraw/zinc/80/69/51/387806951.db2.gz YOZKAPMATMVCAO-JSGCOSHPSA-N 2 0 233.359 1.731 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCOC1CCCCC1 ZINC000422949161 387807041 /nfs/dbraw/zinc/80/70/41/387807041.db2.gz UFTWFYSCHANXEM-QWHCGFSZSA-N 2 0 226.364 1.805 20 0 BDADRP CC(C)[NH+](CCCN[C@@H](C)C1C[NH2+]C1)C(C)C ZINC000423002609 387807999 /nfs/dbraw/zinc/80/79/99/387807999.db2.gz GGBKVMRFLXBWRQ-ZDUSSCGKSA-N 2 0 241.423 1.693 20 0 BDADRP COc1ccc([C@H](CO)N(C)C[C@H](C)[NH3+])cc1 ZINC000442665824 387813586 /nfs/dbraw/zinc/81/35/86/387813586.db2.gz QWDRQGIGEFHECZ-GWCFXTLKSA-N 2 0 238.331 1.008 20 0 BDADRP C[C@@H]1[C@H](C)N(CC[C@@H]2CCC[NH+]2C)CC[N@H+]1C ZINC000356968009 387757608 /nfs/dbraw/zinc/75/76/08/387757608.db2.gz AUUAIVGEVCUQSH-RDBSUJKOSA-N 2 0 239.407 1.495 20 0 BDADRP COc1cc(C[NH2+]C2CCC(C[NH3+])CC2)ccn1 ZINC000422962113 387811654 /nfs/dbraw/zinc/81/16/54/387811654.db2.gz DVYWSBFATPIYCG-UHFFFAOYSA-N 2 0 249.358 1.697 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cn1 ZINC000422887247 387759786 /nfs/dbraw/zinc/75/97/86/387759786.db2.gz ARKFPVLCPGFCNK-GXFFZTMASA-N 2 0 237.322 1.828 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)[C@@H]1CCC[NH2+]1 ZINC000422887638 387759992 /nfs/dbraw/zinc/75/99/92/387759992.db2.gz LDBZJGHUGZUBTD-YHQUGGNUSA-N 2 0 238.375 1.674 20 0 BDADRP Cc1nc(C)c(CC[NH2+][C@H]2CCC[C@H]2[NH3+])s1 ZINC000422888556 387760263 /nfs/dbraw/zinc/76/02/63/387760263.db2.gz NGTJWRCFWMTLLP-MNOVXSKESA-N 2 0 239.388 1.772 20 0 BDADRP C[C@H]([NH3+])C[NH2+][C@@H](C)C1CCSCC1 ZINC000643526742 387760557 /nfs/dbraw/zinc/76/05/57/387760557.db2.gz FRPVBXPTHQIWLC-IUCAKERBSA-N 2 0 202.367 1.455 20 0 BDADRP Cc1cnc(CC[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cn1 ZINC000564074246 387819908 /nfs/dbraw/zinc/81/99/08/387819908.db2.gz JNLSRLDQHHRVEM-KBPBESRZSA-N 2 0 248.374 1.577 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422972837 387821482 /nfs/dbraw/zinc/82/14/82/387821482.db2.gz ANCDVHPXCVJNHB-SRVKXCTJSA-N 2 0 214.353 1.125 20 0 BDADRP CCC[C@](C)(O)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422974564 387823334 /nfs/dbraw/zinc/82/33/34/387823334.db2.gz FJJMPZPPHPCSQV-BPCQOVAHSA-N 2 0 228.380 1.645 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H](O)C1)[C@@H]1CCC[NH2+]1 ZINC000423005036 387825474 /nfs/dbraw/zinc/82/54/74/387825474.db2.gz LOEZCUDIMHPADK-RVMXOQNASA-N 2 0 226.364 1.268 20 0 BDADRP CC(C)[C@@H](CO)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423004619 387826346 /nfs/dbraw/zinc/82/63/46/387826346.db2.gz KHSHPWIASYLDTJ-HTAVTVPLSA-N 2 0 214.353 1.110 20 0 BDADRP CCOCCC1(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000423004023 387827046 /nfs/dbraw/zinc/82/70/46/387827046.db2.gz OCCVVRQQHRAEDR-QWHCGFSZSA-N 2 0 240.391 1.910 20 0 BDADRP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000423007666 387828219 /nfs/dbraw/zinc/82/82/19/387828219.db2.gz YFLJVJHNPTWCID-UTUOFQBUSA-N 2 0 228.380 1.499 20 0 BDADRP CCOCCC1(C[NH2+][C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000423005783 387828804 /nfs/dbraw/zinc/82/88/04/387828804.db2.gz STLHZIDUAAQMNU-RYUDHWBXSA-N 2 0 228.380 1.909 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)[C@H](C[NH3+])C(C)C)c1 ZINC000433164890 387873117 /nfs/dbraw/zinc/87/31/17/387873117.db2.gz SQPGIRDPDMBUIX-CYBMUJFWSA-N 2 0 249.358 1.575 20 0 BDADRP [NH3+]CC1CCC([NH2+]C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000423006982 387829482 /nfs/dbraw/zinc/82/94/82/387829482.db2.gz PROIJRVEDWLYSJ-FKZOYECMSA-N 2 0 240.391 1.645 20 0 BDADRP CCC[NH+]1CCC([NH2+]CC2COC2)CC1 ZINC000528029285 387831637 /nfs/dbraw/zinc/83/16/37/387831637.db2.gz YASNXVDGIOXBBJ-UHFFFAOYSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@](O)(C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])C(F)(F)F ZINC000423011334 387833621 /nfs/dbraw/zinc/83/36/21/387833621.db2.gz IQIOMKMACSITBD-HLTSFMKQSA-N 2 0 240.269 1.017 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+][C@@H](CO)c1ccccc1 ZINC000423011403 387834558 /nfs/dbraw/zinc/83/45/58/387834558.db2.gz ZLKFXINIWXWMQP-MDZLAQPJSA-N 2 0 222.332 1.435 20 0 BDADRP CC[C@@H]([NH2+]CC(C)(C)CCO)[C@@H]1CCC[NH2+]1 ZINC000423011077 387834754 /nfs/dbraw/zinc/83/47/54/387834754.db2.gz YXDQDXNWOVLMKW-NEPJUHHUSA-N 2 0 228.380 1.515 20 0 BDADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1(CO)CC1 ZINC000643459234 387836415 /nfs/dbraw/zinc/83/64/15/387836415.db2.gz AOYXMERDMBDUFJ-GXTWGEPZSA-N 2 0 248.370 1.307 20 0 BDADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000423013774 387836650 /nfs/dbraw/zinc/83/66/50/387836650.db2.gz GRGAIKQMQUPUJV-WRWGMCAJSA-N 2 0 214.353 1.517 20 0 BDADRP CC[C@@H]([NH2+]CC1(C)CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000423025053 387843399 /nfs/dbraw/zinc/84/33/99/387843399.db2.gz NILZYFXEQJCEFA-OLZOCXBDSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCC[C@H]2[NH3+])CCO1 ZINC000423027640 387843513 /nfs/dbraw/zinc/84/35/13/387843513.db2.gz DUAHGIWSTNTKMU-LPWJVIDDSA-N 2 0 226.364 1.661 20 0 BDADRP CC1(C)C[C@@H]1[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423027736 387844044 /nfs/dbraw/zinc/84/40/44/387844044.db2.gz POQFPFSOLGINEF-RVMXOQNASA-N 2 0 238.375 1.532 20 0 BDADRP C[C@@H]1[C@H]([NH2+]C2CCC([NH3+])CC2)CCCN1C ZINC000423026199 387844502 /nfs/dbraw/zinc/84/45/02/387844502.db2.gz AYNIZMOYWOHTFY-IKWCTNDRSA-N 2 0 225.380 1.329 20 0 BDADRP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCC[C@@H]2C[NH3+])CCO1 ZINC000423030452 387845111 /nfs/dbraw/zinc/84/51/11/387845111.db2.gz JUVSESYGVVNYLC-SYQHCUMBSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC[C@H]1CCOC1 ZINC000423031534 387845308 /nfs/dbraw/zinc/84/53/08/387845308.db2.gz LGIRFAKMHDCHKU-AGIUHOORSA-N 2 0 226.364 1.391 20 0 BDADRP Cc1n[nH]cc1[C@@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000643533219 387846786 /nfs/dbraw/zinc/84/67/86/387846786.db2.gz UFHAHNWVEBQJCZ-NXEZZACHSA-N 2 0 224.352 1.886 20 0 BDADRP C[C@H](N[C@@H]1CCC[N@H+](C)[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423032740 387848843 /nfs/dbraw/zinc/84/88/43/387848843.db2.gz NBGCKNMQVKTMKI-ZDEQEGDKSA-N 2 0 225.380 1.199 20 0 BDADRP CC(C)[C@@H](C[NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000433171290 387850371 /nfs/dbraw/zinc/85/03/71/387850371.db2.gz DAPPODIJAFYCAR-CHWSQXEVSA-N 2 0 249.358 1.034 20 0 BDADRP CC1=CC[N@H+](CCN[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000423039797 387853046 /nfs/dbraw/zinc/85/30/46/387853046.db2.gz RRKRPCLMBKIGJB-UONOGXRCSA-N 2 0 237.391 1.226 20 0 BDADRP CCC(CC)(C[NH2+][C@@H]1CCC[C@H]1[NH3+])C(=O)OC ZINC000423038463 387853074 /nfs/dbraw/zinc/85/30/74/387853074.db2.gz OKBJYIHGIQMTBF-GHMZBOCLSA-N 2 0 242.363 1.435 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(CO)CCC1 ZINC000423038992 387853216 /nfs/dbraw/zinc/85/32/16/387853216.db2.gz ZOWPVBHBJRPPGV-NEPJUHHUSA-N 2 0 226.364 1.127 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCC[C@@H]1CCCCO1 ZINC000423042068 387854579 /nfs/dbraw/zinc/85/45/79/387854579.db2.gz YLDFHCXURYIWRD-YNEHKIRRSA-N 2 0 226.364 1.805 20 0 BDADRP CC(C)OCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000423042031 387855554 /nfs/dbraw/zinc/85/55/54/387855554.db2.gz YHNRAXRKVKCUBR-UHFFFAOYSA-N 2 0 214.353 1.519 20 0 BDADRP C[N@H+]1C[C@@H]2C[NH+](CCc3ccccc3)C[C@@H]2C1 ZINC000193612876 387857431 /nfs/dbraw/zinc/85/74/31/387857431.db2.gz DBDCOPHJWAXIKW-GASCZTMLSA-N 2 0 230.355 1.723 20 0 BDADRP C[C@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000423051945 387860159 /nfs/dbraw/zinc/86/01/59/387860159.db2.gz PKBARQAKYJEDQQ-DEQVHRJGSA-N 2 0 238.375 1.674 20 0 BDADRP CC[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cnn(C)c1 ZINC000643535054 387861443 /nfs/dbraw/zinc/86/14/43/387861443.db2.gz IIIWZNNVLWEKTH-OLZOCXBDSA-N 2 0 248.374 1.603 20 0 BDADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643536757 387862842 /nfs/dbraw/zinc/86/28/42/387862842.db2.gz WHECPWZGGISSNK-MRVWCRGKSA-N 2 0 249.402 1.201 20 0 BDADRP CC[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)C1CC1 ZINC000643536753 387863152 /nfs/dbraw/zinc/86/31/52/387863152.db2.gz WGZHLSOKSCXEOH-RYUDHWBXSA-N 2 0 208.349 1.907 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CC1(CO)CCCC1 ZINC000423054169 387863242 /nfs/dbraw/zinc/86/32/42/387863242.db2.gz UACXRYIBCAFPIW-QWRGUYRKSA-N 2 0 212.337 1.009 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)[C@@H]1CCC[NH2+]1 ZINC000423059431 387865871 /nfs/dbraw/zinc/86/58/71/387865871.db2.gz FSMFAUAJNUNREL-RNJOBUHISA-N 2 0 226.364 1.268 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCC(C)(C)O ZINC000423064114 387866672 /nfs/dbraw/zinc/86/66/72/387866672.db2.gz QLWBGTGPLRCGTC-MNOVXSKESA-N 2 0 214.353 1.125 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1NCC1([NH+](C)C)CCC1 ZINC000423063194 387866724 /nfs/dbraw/zinc/86/67/24/387866724.db2.gz VXVFOPFWRJGLMK-NEPJUHHUSA-N 2 0 225.380 1.058 20 0 BDADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H](C[NH3+])C(C)C ZINC000433133336 387868986 /nfs/dbraw/zinc/86/89/86/387868986.db2.gz ZASBDAXEFUOHQX-NWDGAFQWSA-N 2 0 243.395 1.049 20 0 BDADRP CC1(C)CC([NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000433144752 387871539 /nfs/dbraw/zinc/87/15/39/387871539.db2.gz NPPONNDNLFKKIZ-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000423071862 387871961 /nfs/dbraw/zinc/87/19/61/387871961.db2.gz GCNVRHCNGMCGJL-OUCADQQQSA-N 2 0 239.407 1.719 20 0 BDADRP CCO[C@@]1(C)C[C@H]1[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000527974815 387813810 /nfs/dbraw/zinc/81/38/10/387813810.db2.gz PLNMPGXTBXXCCO-FQUUOJAGSA-N 2 0 240.391 1.874 20 0 BDADRP CCO[C@@]1(C)C[C@H]1[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000527974817 387813833 /nfs/dbraw/zinc/81/38/33/387813833.db2.gz PLNMPGXTBXXCCO-RQJABVFESA-N 2 0 240.391 1.874 20 0 BDADRP CC[C@@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000422964888 387814076 /nfs/dbraw/zinc/81/40/76/387814076.db2.gz MYWUHQHYJYPNBQ-MELADBBJSA-N 2 0 239.407 1.591 20 0 BDADRP CCOc1ncccc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000422962867 387814151 /nfs/dbraw/zinc/81/41/51/387814151.db2.gz GVONDPOANDIATG-YPMHNXCESA-N 2 0 249.358 1.697 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1ccccc1O ZINC000422967224 387816199 /nfs/dbraw/zinc/81/61/99/387816199.db2.gz BSSWQIHBADUVSM-TZMCWYRMSA-N 2 0 248.370 1.912 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])C(=O)N1CCCCC1 ZINC000422966251 387816809 /nfs/dbraw/zinc/81/68/09/387816809.db2.gz NDTWFRSYXLHWHS-SDDRHHMPSA-N 2 0 241.379 1.103 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@@H]1CCC[C@H]1[NH3+] ZINC000422965650 387817080 /nfs/dbraw/zinc/81/70/80/387817080.db2.gz PDJYUDRMNCQGOD-VXGBXAGGSA-N 2 0 213.369 1.186 20 0 BDADRP COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cn1 ZINC000422967579 387817147 /nfs/dbraw/zinc/81/71/47/387817147.db2.gz UCBOYZXNGYYAMP-ZJUUUORDSA-N 2 0 223.320 1.306 20 0 BDADRP COCC1(C[NH2+][C@H]2CCC[C@@H]2[NH3+])CCC1 ZINC000423104501 387889913 /nfs/dbraw/zinc/88/99/13/387889913.db2.gz BPLSFRZFGWVXPE-QWRGUYRKSA-N 2 0 212.337 1.273 20 0 BDADRP CC1(C)SC[C@@H]1[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000423105068 387890408 /nfs/dbraw/zinc/89/04/08/387890408.db2.gz NAEBDRYPEFYRLX-HLTSFMKQSA-N 2 0 200.351 1.350 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000423109692 387894459 /nfs/dbraw/zinc/89/44/59/387894459.db2.gz NZXIYQRIBCLMJB-MROQNXINSA-N 2 0 226.364 1.389 20 0 BDADRP CC[C@H]([NH2+]CCCOC(F)F)[C@@H]1CCC[NH2+]1 ZINC000423114137 387895616 /nfs/dbraw/zinc/89/56/16/387895616.db2.gz LNRPKTOWIZSSMK-UWVGGRQHSA-N 2 0 236.306 1.736 20 0 BDADRP CO[C@H](CC[NH2+][C@H](C)C[C@@H](C)[NH3+])C(F)(F)F ZINC000423076596 387875760 /nfs/dbraw/zinc/87/57/60/387875760.db2.gz ZJBXFETUMAQFDP-IWSPIJDZSA-N 2 0 242.285 1.669 20 0 BDADRP CC[C@H]([NH2+][C@H]1CC[C@@H](OC)C1)[C@@H]1CCC[NH2+]1 ZINC000423076030 387876131 /nfs/dbraw/zinc/87/61/31/387876131.db2.gz YFZXWQYZHXFFNM-RNJOBUHISA-N 2 0 226.364 1.674 20 0 BDADRP CCOC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000423076431 387876615 /nfs/dbraw/zinc/87/66/15/387876615.db2.gz ZECDIXCOFSMUQU-PIGZVRMJSA-N 2 0 240.391 1.920 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000423082956 387877725 /nfs/dbraw/zinc/87/77/25/387877725.db2.gz FXUSVUUCFTWQJM-NEPJUHHUSA-N 2 0 240.391 1.645 20 0 BDADRP C[C@@H](O)CCC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423084204 387877970 /nfs/dbraw/zinc/87/79/70/387877970.db2.gz HSCUBWNSOWLDLL-IJLUTSLNSA-N 2 0 214.353 1.268 20 0 BDADRP CCN(CC)[C@H](C)C[NH2+][C@H](C)CCC[NH3+] ZINC000423082895 387878732 /nfs/dbraw/zinc/87/87/32/387878732.db2.gz FCGOBKBJPIMKSS-VXGBXAGGSA-N 2 0 215.385 1.434 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@H](C)C[C@@H](C)[NH3+] ZINC000423083347 387879453 /nfs/dbraw/zinc/87/94/53/387879453.db2.gz FWONTDHRZDFYDF-IJLUTSLNSA-N 2 0 215.385 1.432 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@H]1CCSC1 ZINC000423085835 387880519 /nfs/dbraw/zinc/88/05/19/387880519.db2.gz LONNPJNWOXWDAL-IJLUTSLNSA-N 2 0 228.405 1.989 20 0 BDADRP CCO[C@H](C[NH2+][C@@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000423086171 387881245 /nfs/dbraw/zinc/88/12/45/387881245.db2.gz LLVRRZGDAJOHML-SWLSCSKDSA-N 2 0 248.370 1.962 20 0 BDADRP CSC1(C[NH2+][C@H](C)C[C@H](C)[NH3+])CC1 ZINC000423086636 387881690 /nfs/dbraw/zinc/88/16/90/387881690.db2.gz MJFDWVZGOWSPQG-DTWKUNHWSA-N 2 0 202.367 1.597 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCN1CC=CCC1 ZINC000423092567 387882665 /nfs/dbraw/zinc/88/26/65/387882665.db2.gz CKECKUNGSWDBOS-KBPBESRZSA-N 2 0 237.391 1.498 20 0 BDADRP COC1CCC(C)(C[NH2+][C@H]2CC[NH2+]C2)CC1 ZINC000423090258 387882754 /nfs/dbraw/zinc/88/27/54/387882754.db2.gz XAXPIZAGZPVZGM-HIFPTAJRSA-N 2 0 226.364 1.533 20 0 BDADRP CCn1cccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])c1=O ZINC000423090170 387883122 /nfs/dbraw/zinc/88/31/22/387883122.db2.gz USCBETJXRPTXPS-WCQYABFASA-N 2 0 249.358 1.085 20 0 BDADRP C[C@@H]([NH2+][C@H](CO)CCC(C)(C)C)C1C[NH2+]C1 ZINC000423093822 387885521 /nfs/dbraw/zinc/88/55/21/387885521.db2.gz INTOZAAKNCDXLN-PWSUYJOCSA-N 2 0 228.380 1.371 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000423099027 387887776 /nfs/dbraw/zinc/88/77/76/387887776.db2.gz ABHOXLUJXYFAHI-FRRDWIJNSA-N 2 0 228.380 1.229 20 0 BDADRP C[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000423101413 387888680 /nfs/dbraw/zinc/88/86/80/387888680.db2.gz CWINPDHIWIHZCO-XQHKEYJVSA-N 2 0 226.364 1.376 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCCCF ZINC000423142030 387917822 /nfs/dbraw/zinc/91/78/22/387917822.db2.gz SZCSARRRDRBECL-WDEREUQCSA-N 2 0 202.317 1.986 20 0 BDADRP CCC[N@H+](CC)C[C@@H](C)N[C@@H](C)C1C[NH2+]C1 ZINC000423141743 387917964 /nfs/dbraw/zinc/91/79/64/387917964.db2.gz ROVWLSCEIBYKAZ-NEPJUHHUSA-N 2 0 227.396 1.304 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCCCC[NH+]1CCCC1 ZINC000423140184 387918623 /nfs/dbraw/zinc/91/86/23/387918623.db2.gz XQJLCJRLNNXFNL-UONOGXRCSA-N 3 0 241.423 1.968 20 0 BDADRP Cc1cccc2c1OC[C@H]([NH2+][C@H]1CCC[C@H]1[NH3+])C2 ZINC000423140343 387918717 /nfs/dbraw/zinc/91/87/17/387918717.db2.gz MNMYBLFSAITFJY-MCIONIFRSA-N 2 0 246.354 1.768 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CCCSC1 ZINC000423119578 387900649 /nfs/dbraw/zinc/90/06/49/387900649.db2.gz DYXZRWGYTRIOTO-DCAQKATOSA-N 2 0 216.394 1.845 20 0 BDADRP CC(C)[N@@H+](C)C[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423124285 387902420 /nfs/dbraw/zinc/90/24/20/387902420.db2.gz ODFUJFNIUDAFPF-HABKJSAYSA-N 2 0 239.407 1.588 20 0 BDADRP CCOCC(C)(C)C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000423124767 387903655 /nfs/dbraw/zinc/90/36/55/387903655.db2.gz PBLHHJREWYEKDL-MNOVXSKESA-N 2 0 216.369 1.765 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000423127281 387905764 /nfs/dbraw/zinc/90/57/64/387905764.db2.gz PDYUPKCQRXAKHO-RFQIPJPRSA-N 2 0 240.391 1.502 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@@H]1COc2ccccc21 ZINC000423129657 387907472 /nfs/dbraw/zinc/90/74/72/387907472.db2.gz XMZXCTKTZBSKJN-RAIGVLPGSA-N 2 0 232.327 1.632 20 0 BDADRP CC(C)N(C)C[C@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423129455 387907812 /nfs/dbraw/zinc/90/78/12/387907812.db2.gz XBPIFNKCBDWSEY-HSBZDZAISA-N 2 0 241.423 1.822 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@@H](F)C1)[C@@H]1CCC[NH2+]1 ZINC000423130409 387907958 /nfs/dbraw/zinc/90/79/58/387907958.db2.gz SEDNGZQCUDNCLZ-VLEAKVRGSA-N 2 0 200.301 1.607 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+][C@H]1CCCOC1 ZINC000423132806 387909225 /nfs/dbraw/zinc/90/92/25/387909225.db2.gz UYEUDUSAUCFYEM-GRYCIOLGSA-N 2 0 212.337 1.273 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+][C@H]1CCCOC1 ZINC000423132807 387910437 /nfs/dbraw/zinc/91/04/37/387910437.db2.gz UYEUDUSAUCFYEM-WOPDTQHZSA-N 2 0 212.337 1.273 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H](CO)C1CCCCC1 ZINC000423133415 387911676 /nfs/dbraw/zinc/91/16/76/387911676.db2.gz KIQWJEVQDUQLIM-OBJOEFQTSA-N 2 0 242.407 1.891 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](CO)C2CC2)c2ccccc21 ZINC000423135230 387914172 /nfs/dbraw/zinc/91/41/72/387914172.db2.gz FRLTXBSWDPRAIZ-DFBGVHRSSA-N 2 0 246.354 1.739 20 0 BDADRP COCC1(CC[NH2+][C@H]2CCC[C@H]2[NH3+])CCC1 ZINC000423137811 387915899 /nfs/dbraw/zinc/91/58/99/387915899.db2.gz RTBQPXKTILDHCY-NEPJUHHUSA-N 2 0 226.364 1.663 20 0 BDADRP CCC[N@H+](CC)C[C@@H](C)N[C@H](C)C[C@H](C)[NH3+] ZINC000423139466 387916232 /nfs/dbraw/zinc/91/62/32/387916232.db2.gz KTNVFEDCEVRGQQ-YNEHKIRRSA-N 2 0 229.412 1.822 20 0 BDADRP COCC1(CC[NH2+][C@@H]2CCC[C@H]2[NH3+])CCC1 ZINC000423137814 387916373 /nfs/dbraw/zinc/91/63/73/387916373.db2.gz RTBQPXKTILDHCY-VXGBXAGGSA-N 2 0 226.364 1.663 20 0 BDADRP CO[C@@H](C[NH2+][C@H](C)C1C[NH2+]C1)Cc1ccccc1 ZINC000423153706 387931934 /nfs/dbraw/zinc/93/19/34/387931934.db2.gz GTKBBTDKDIYULW-IUODEOHRSA-N 2 0 248.370 1.442 20 0 BDADRP CC[C@H](C)[C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])OC ZINC000423155053 387933671 /nfs/dbraw/zinc/93/36/71/387933671.db2.gz ISMSACMNQKXLFJ-YFKTTZPYSA-N 2 0 216.369 1.763 20 0 BDADRP CC(C)(O)C(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423154818 387935185 /nfs/dbraw/zinc/93/51/85/387935185.db2.gz JYKLNERWFLICTN-FOSCPWQOSA-N 2 0 240.391 1.656 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CC1(CO)CCC1 ZINC000643480604 387935831 /nfs/dbraw/zinc/93/58/31/387935831.db2.gz FMTMABVEGOUUDD-RYUDHWBXSA-N 2 0 226.364 1.399 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423156512 387936423 /nfs/dbraw/zinc/93/64/23/387936423.db2.gz LBWSUOVLQNIXAT-FRRDWIJNSA-N 2 0 228.380 1.787 20 0 BDADRP CC(F)(F)CCC[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000423145978 387922940 /nfs/dbraw/zinc/92/29/40/387922940.db2.gz NHQGWVDHWAXHRX-RKDXNWHRSA-N 2 0 206.280 1.891 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCCC1CCOCC1 ZINC000423145143 387923612 /nfs/dbraw/zinc/92/36/12/387923612.db2.gz JGBKANNXFDWUNV-QWHCGFSZSA-N 2 0 226.364 1.663 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000423147224 387925903 /nfs/dbraw/zinc/92/59/03/387925903.db2.gz RKYUIEFIACKBIF-QCNOEVLYSA-N 2 0 214.328 1.855 20 0 BDADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@H]2[NH3+])CCO1 ZINC000423147345 387926218 /nfs/dbraw/zinc/92/62/18/387926218.db2.gz CJLBHDUSQUTZJD-SYQHCUMBSA-N 2 0 240.391 1.907 20 0 BDADRP C[C@@H](CCO)CC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423148598 387927400 /nfs/dbraw/zinc/92/74/00/387927400.db2.gz WBZVPNXYIDESPT-UPJWGTAASA-N 2 0 228.380 1.515 20 0 BDADRP C[C@H]([C@H]1CC[NH2+]C1)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000423167112 387953023 /nfs/dbraw/zinc/95/30/23/387953023.db2.gz WMKSVEHKIYIEAZ-HZSPNIEDSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)O1 ZINC000423169889 387955338 /nfs/dbraw/zinc/95/53/38/387955338.db2.gz WUZQVCCSKFIOEN-VKYHIEHISA-N 2 0 224.348 1.427 20 0 BDADRP CC[NH+]1CCC(NC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000044535186 387937786 /nfs/dbraw/zinc/93/77/86/387937786.db2.gz FCVWTAXSTRILTK-CYBMUJFWSA-N 2 0 239.407 1.402 20 0 BDADRP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424224625 387938165 /nfs/dbraw/zinc/93/81/65/387938165.db2.gz OECOGFRKFQEZKO-GWCFXTLKSA-N 2 0 249.358 1.766 20 0 BDADRP O[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000423159286 387938223 /nfs/dbraw/zinc/93/82/23/387938223.db2.gz FPUABAIRCIDWRU-XHJNMGKDSA-N 2 0 238.375 1.410 20 0 BDADRP Cc1cc(NC[C@H]2CCC[N@@H+]2CCCO)cc[nH+]1 ZINC000450600684 387940349 /nfs/dbraw/zinc/94/03/49/387940349.db2.gz WMKBPGQRZJOIFS-CQSZACIVSA-N 2 0 249.358 1.071 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000423160489 387940925 /nfs/dbraw/zinc/94/09/25/387940925.db2.gz HLZRYGDGBXNRJV-FVCCEPFGSA-N 2 0 226.364 1.532 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)CC[C@@H](C)[NH3+])c1 ZINC000424235809 387941697 /nfs/dbraw/zinc/94/16/97/387941697.db2.gz IJRSVEZSWNJGSO-SNVBAGLBSA-N 2 0 235.331 1.520 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)[C@@H](C)[C@H](C)[NH3+])c1 ZINC000424236540 387942044 /nfs/dbraw/zinc/94/20/44/387942044.db2.gz JBTHIRJQVULNLO-UWVGGRQHSA-N 2 0 235.331 1.376 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCC(C)(C)CO ZINC000423160023 387942198 /nfs/dbraw/zinc/94/21/98/387942198.db2.gz QHNVXTRJGNNUSU-NEPJUHHUSA-N 2 0 228.380 1.373 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000423162765 387942707 /nfs/dbraw/zinc/94/27/07/387942707.db2.gz PZYKIPCOHVDZGY-REWJHTLYSA-N 2 0 240.391 1.787 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)O1 ZINC000423162385 387943483 /nfs/dbraw/zinc/94/34/83/387943483.db2.gz KXZTYCDMXMFVCE-UMSGYPCISA-N 2 0 226.364 1.532 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)NCC[N@@H+]1CCCC1(C)C ZINC000423162652 387943883 /nfs/dbraw/zinc/94/38/83/387943883.db2.gz LKITXLDMQYUPOZ-NEPJUHHUSA-N 2 0 227.396 1.576 20 0 BDADRP CO[C@H]([C@H](C)[NH2+]C1CCC(C[NH3+])CC1)C1CC1 ZINC000423162298 387944275 /nfs/dbraw/zinc/94/42/75/387944275.db2.gz OZXOINKQNNMUAF-PYULLRNSSA-N 2 0 240.391 1.907 20 0 BDADRP C[C@H](CCC[NH3+])[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000423162283 387944517 /nfs/dbraw/zinc/94/45/17/387944517.db2.gz OZKKJEQVSPKXOL-CHWSQXEVSA-N 2 0 226.364 1.616 20 0 BDADRP CCn1cc([C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cn1 ZINC000423164932 387948623 /nfs/dbraw/zinc/94/86/23/387948623.db2.gz UBVPSOOXTFZHCT-AAEUAGOBSA-N 2 0 236.363 1.696 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000423166365 387950619 /nfs/dbraw/zinc/95/06/19/387950619.db2.gz CLNAHPQYCFETSQ-FVCCEPFGSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@@H]([NH2+]CC(C)(C)C1(O)CCCC1)C1C[NH2+]C1 ZINC000423166227 387950707 /nfs/dbraw/zinc/95/07/07/387950707.db2.gz QYPBGKAWRFKBFJ-LLVKDONJSA-N 2 0 240.391 1.515 20 0 BDADRP COc1cccnc1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000423170979 387957878 /nfs/dbraw/zinc/95/78/78/387957878.db2.gz ZEXDNZOIDFHCJZ-UHFFFAOYSA-N 2 0 249.358 1.697 20 0 BDADRP CO[C@@H](C)[C@H](C)[NH2+]CC1([NH3+])CCCCC1 ZINC000423181320 387968592 /nfs/dbraw/zinc/96/85/92/387968592.db2.gz OTZNMYMLNNLEOK-QWRGUYRKSA-N 2 0 214.353 1.661 20 0 BDADRP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CCC[NH3+] ZINC000423183825 387970469 /nfs/dbraw/zinc/97/04/69/387970469.db2.gz HWDZNGNJJCWFQO-WCQYABFASA-N 2 0 222.332 1.701 20 0 BDADRP CCCCO[C@@H]1C[C@@H]([NH2+]CCC[NH3+])C1(C)C ZINC000423186060 387971376 /nfs/dbraw/zinc/97/13/76/387971376.db2.gz JWWRLUOHYKBDME-VXGBXAGGSA-N 2 0 228.380 1.909 20 0 BDADRP CC[C@H]([NH2+]C1CCC(C[NH3+])CC1)[C@@H](O)C(C)C ZINC000423187404 387971670 /nfs/dbraw/zinc/97/16/70/387971670.db2.gz PHBJQVXBQVDDGC-HOAMVYINSA-N 2 0 242.407 1.889 20 0 BDADRP C[NH2+]C[C@@H](C)c1nc(C2([NH3+])CCCCC2)no1 ZINC000424334798 387979184 /nfs/dbraw/zinc/97/91/84/387979184.db2.gz GGAGTXCLQRUKKD-SECBINFHSA-N 2 0 238.335 1.511 20 0 BDADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]CCC[NH3+])cc1 ZINC000423194832 387979527 /nfs/dbraw/zinc/97/95/27/387979527.db2.gz RTPZOTGKAZRBKG-SNVBAGLBSA-N 2 0 235.331 1.644 20 0 BDADRP C[C@@H]([NH2+]CCC[NH3+])c1ccccc1N(C)C ZINC000423189570 387973840 /nfs/dbraw/zinc/97/38/40/387973840.db2.gz MWJQMDKGVDSYRY-LLVKDONJSA-N 2 0 221.348 1.752 20 0 BDADRP CCC1(CC)[C@H]([NH2+]CCC[NH3+])C[C@H]1OC ZINC000423190020 387974080 /nfs/dbraw/zinc/97/40/80/387974080.db2.gz NESLCJZIGLHLHK-GHMZBOCLSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423191362 387976121 /nfs/dbraw/zinc/97/61/21/387976121.db2.gz SRFCNEKEYDCIDB-LBELIVKGSA-N 2 0 226.364 1.530 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)[C@H](O)C(C)C ZINC000423190936 387976171 /nfs/dbraw/zinc/97/61/71/387976171.db2.gz SERDGWXZLGSZSY-ZDEQEGDKSA-N 2 0 228.380 1.512 20 0 BDADRP C[NH2+]CCCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423201812 387987754 /nfs/dbraw/zinc/98/77/54/387987754.db2.gz PRMSPBSHIPKOAE-MELADBBJSA-N 2 0 239.407 1.496 20 0 BDADRP C[NH2+]CCC[NH2+][C@H](C)CCCc1cccnc1 ZINC000423201880 387987827 /nfs/dbraw/zinc/98/78/27/387987827.db2.gz QDHQMUUKDWJCNB-CYBMUJFWSA-N 2 0 235.375 1.992 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@@H]1CCCC[C@H]1[NH3+] ZINC000424368206 387991329 /nfs/dbraw/zinc/99/13/29/387991329.db2.gz PFGXUAFCJYTHMB-QJPTWQEYSA-N 2 0 213.369 1.219 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1NCC1([NH3+])CCCCCC1 ZINC000423208504 387993516 /nfs/dbraw/zinc/99/35/16/387993516.db2.gz YVYIWNNEGVLBLP-OLZOCXBDSA-N 2 0 239.407 1.755 20 0 BDADRP [NH3+]CCC[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000423196074 387982637 /nfs/dbraw/zinc/98/26/37/387982637.db2.gz UQEHDPCIXVSFOZ-ZDUSSCGKSA-N 2 0 219.332 1.861 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NCC1([NH3+])CCCCCC1 ZINC000423198367 387983649 /nfs/dbraw/zinc/98/36/49/387983649.db2.gz FNMSNCBTSIOOAL-NWDGAFQWSA-N 2 0 227.396 1.754 20 0 BDADRP C[NH2+]CCC[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000423201234 387987241 /nfs/dbraw/zinc/98/72/41/387987241.db2.gz ODLXTOIJGBDTLD-ZDUSSCGKSA-N 2 0 234.343 1.969 20 0 BDADRP C1CC1[C@H]([NH2+][C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000423213461 387996954 /nfs/dbraw/zinc/99/69/54/387996954.db2.gz LHQJLXAMYMAXEO-CHWSQXEVSA-N 2 0 208.349 1.907 20 0 BDADRP COCCCCC[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420406774 387999092 /nfs/dbraw/zinc/99/90/92/387999092.db2.gz NZAONISLAMLHRK-STQMWFEESA-N 2 0 228.380 1.720 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](CC[C@H]2CCOC2)C[C@H]1C[NH3+] ZINC000400554437 388025296 /nfs/dbraw/zinc/02/52/96/388025296.db2.gz PHWRKRNXRNUGQX-ZOBORPQBSA-N 2 0 240.391 1.718 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000423227569 388011533 /nfs/dbraw/zinc/01/15/33/388011533.db2.gz WFOWKAMUCQZZTI-WUHRBBMRSA-N 2 0 238.375 1.661 20 0 BDADRP CC[C@H]([NH2+]C1CCC([NH3+])CC1)[C@@H]1CCC[NH2+]1 ZINC000423228574 388013240 /nfs/dbraw/zinc/01/32/40/388013240.db2.gz DCAVNEXASBIPFA-TYUFSLCMSA-N 3 0 225.380 1.377 20 0 BDADRP C[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH2+]2)[C@H]2CCC[C@H]21 ZINC000423229544 388015125 /nfs/dbraw/zinc/01/51/25/388015125.db2.gz BLDZYQWTPAHNLR-RFQIPJPRSA-N 2 0 237.391 1.201 20 0 BDADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423230712 388015302 /nfs/dbraw/zinc/01/53/02/388015302.db2.gz FEBVUYCDKLDPPN-XQQFMLRXSA-N 2 0 226.364 1.533 20 0 BDADRP C[NH2+]CCCN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000156650525 388016158 /nfs/dbraw/zinc/01/61/58/388016158.db2.gz RDUYKMCPYUXVCS-RYUDHWBXSA-N 2 0 213.369 1.010 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCC[C@@H]1CCOC ZINC000423255960 388037628 /nfs/dbraw/zinc/03/76/28/388037628.db2.gz BBFUDAZJYOXTMN-XQQFMLRXSA-N 2 0 228.380 1.637 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)[C@@H](C)O1 ZINC000423246010 388030380 /nfs/dbraw/zinc/03/03/80/388030380.db2.gz JOFHCTHDWOIQCK-WYUUTHIRSA-N 2 0 212.337 1.142 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000423273876 388052443 /nfs/dbraw/zinc/05/24/43/388052443.db2.gz LBFMCVAVJZCHRW-DGAVXFQQSA-N 2 0 239.407 1.432 20 0 BDADRP C[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])[C@H]1CCC[NH2+]1 ZINC000423274084 388053386 /nfs/dbraw/zinc/05/33/86/388053386.db2.gz JUGYDUFAUOPDCR-LOWDOPEQSA-N 2 0 225.380 1.234 20 0 BDADRP CCC([NH3+])(CC)C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000423286852 388070396 /nfs/dbraw/zinc/07/03/96/388070396.db2.gz JCUHDZSZNOJJBW-QWRGUYRKSA-N 2 0 214.353 1.661 20 0 BDADRP C[C@H]1CN(C)C[C@@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453398160 388070918 /nfs/dbraw/zinc/07/09/18/388070918.db2.gz KGMQPTSGPNHIGX-JSGCOSHPSA-N 2 0 239.407 1.401 20 0 BDADRP CO[C@@H](C)[C@@H](C)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453402156 388073030 /nfs/dbraw/zinc/07/30/30/388073030.db2.gz NFHWAJPWTHVYBZ-NEPJUHHUSA-N 2 0 228.380 1.874 20 0 BDADRP CCC([NH3+])(CC)CN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000423288019 388073397 /nfs/dbraw/zinc/07/33/97/388073397.db2.gz PYGVFIRQOBNQGQ-NEPJUHHUSA-N 2 0 227.396 1.576 20 0 BDADRP CCC([NH3+])(CC)CN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000423294587 388077654 /nfs/dbraw/zinc/07/76/54/388077654.db2.gz UXGTZVBWTQZYRM-NEPJUHHUSA-N 2 0 227.396 1.611 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000423296964 388078465 /nfs/dbraw/zinc/07/84/65/388078465.db2.gz ICOJFBMLOXDIKI-REWJHTLYSA-N 2 0 241.423 1.822 20 0 BDADRP C[C@H]1COCC[C@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453419316 388079923 /nfs/dbraw/zinc/07/99/23/388079923.db2.gz YSEQYSZMHVSOKA-GXTWGEPZSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccncc2)CC1 ZINC000084691193 388080515 /nfs/dbraw/zinc/08/05/15/388080515.db2.gz MSCBFIKXWDMHHB-NSHDSACASA-N 2 0 219.332 1.641 20 0 BDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000453430598 388081478 /nfs/dbraw/zinc/08/14/78/388081478.db2.gz RAIMPTGXIIWEFF-UPJWGTAASA-N 2 0 240.391 1.731 20 0 BDADRP CN1CCC([NH2+]CCCC[N@H+](C)C2CC2)CC1 ZINC000453433632 388082095 /nfs/dbraw/zinc/08/20/95/388082095.db2.gz STHDQEGWDUWOHA-UHFFFAOYSA-N 3 0 239.407 1.545 20 0 BDADRP C[N@H+](CCCC[NH2+]C[C@@H]1CCCOC1)C1CC1 ZINC000453591567 388085919 /nfs/dbraw/zinc/08/59/19/388085919.db2.gz CREIGJQGXLKMHO-ZDUSSCGKSA-N 2 0 240.391 1.877 20 0 BDADRP [NH3+]C1CCC([NH2+]C[C@H]2CCCC[C@@H]2O)CC1 ZINC000086730503 388107760 /nfs/dbraw/zinc/10/77/60/388107760.db2.gz FJIIOFFSNFSSPJ-XVSSEFHLSA-N 2 0 226.364 1.397 20 0 BDADRP [NH3+]C1CCC([NH2+]CC2(O)CCCCC2)CC1 ZINC000086730629 388108224 /nfs/dbraw/zinc/10/82/24/388108224.db2.gz VIITUBVJEOHSJV-UHFFFAOYSA-N 2 0 226.364 1.541 20 0 BDADRP Fc1cc(F)cc(CCN[C@@H]2CC[NH2+]C2)c1 ZINC000086729819 388108314 /nfs/dbraw/zinc/10/83/14/388108314.db2.gz SQLFRJLYTLXONZ-GFCCVEGCSA-N 2 0 226.270 1.459 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1ccncc1 ZINC000423266537 388046223 /nfs/dbraw/zinc/04/62/23/388046223.db2.gz DEDUXEXQDYOXBU-WDEREUQCSA-N 2 0 207.321 1.588 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCc2ccccc2OC1 ZINC000423270718 388049480 /nfs/dbraw/zinc/04/94/80/388049480.db2.gz IFVZBQACWNVPPJ-JSGCOSHPSA-N 2 0 248.370 1.825 20 0 BDADRP CC[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423272075 388050664 /nfs/dbraw/zinc/05/06/64/388050664.db2.gz JQWOEWFHGFNGRR-RDBSUJKOSA-N 3 0 239.407 1.496 20 0 BDADRP COC1CCC([NH2+]CCC[NH+](C)C)CC1 ZINC000164234041 388172563 /nfs/dbraw/zinc/17/25/63/388172563.db2.gz ADGCPUQCIQGBBY-UHFFFAOYSA-N 2 0 214.353 1.485 20 0 BDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)CC[C@H](C)[NH3+] ZINC000646012421 388124226 /nfs/dbraw/zinc/12/42/26/388124226.db2.gz OMXUBAUMSCICGP-RYUDHWBXSA-N 2 0 241.379 1.104 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000449104214 388143197 /nfs/dbraw/zinc/14/31/97/388143197.db2.gz FCLPWDYUABSAAO-NWDGAFQWSA-N 2 0 243.395 1.221 20 0 BDADRP CC(C)CCC[NH2+]C[C@@H]1CCCN1CCCO ZINC000449386928 388190566 /nfs/dbraw/zinc/19/05/66/388190566.db2.gz JXFRFHQXLPQYJK-AWEZNQCLSA-N 2 0 242.407 1.859 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCCN1CCCO)C1CC1 ZINC000449387916 388190966 /nfs/dbraw/zinc/19/09/66/388190966.db2.gz NMPLBVQCUIGHII-DGCLKSJQSA-N 2 0 226.364 1.221 20 0 BDADRP Cc1nccn1CCC[N@H+]1CC[C@@H](CO)[C@@H]1C ZINC000488744830 388192631 /nfs/dbraw/zinc/19/26/31/388192631.db2.gz CUMMGRMFUYBPCT-AAEUAGOBSA-N 2 0 237.347 1.284 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000449408927 388197311 /nfs/dbraw/zinc/19/73/11/388197311.db2.gz QAORMCRJFLMFKF-YRGRVCCFSA-N 2 0 240.391 1.467 20 0 BDADRP CCN1C[C@H]([NH2+][C@H]2CC[C@@H](CO)C2)[C@@H](C)C1 ZINC000449423660 388201601 /nfs/dbraw/zinc/20/16/01/388201601.db2.gz BFMVCWBKJDMEPD-RNJOBUHISA-N 2 0 226.364 1.077 20 0 BDADRP Cc1nccn1CC[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000489188035 388205342 /nfs/dbraw/zinc/20/53/42/388205342.db2.gz LLDMAMKIZSQCMA-CYBMUJFWSA-N 2 0 235.331 1.038 20 0 BDADRP CCC[NH2+][C@@H](C)C(=O)N[C@H](C)CCCC[NH3+] ZINC000449549426 388229567 /nfs/dbraw/zinc/22/95/67/388229567.db2.gz XWGHSAXDMTZTRR-MNOVXSKESA-N 2 0 229.368 1.008 20 0 BDADRP CC[C@@H](C(=O)N[C@H](C)CCC[NH3+])[NH+](CC)CC ZINC000449572515 388235882 /nfs/dbraw/zinc/23/58/82/388235882.db2.gz NGXYGVADBFAUEK-NEPJUHHUSA-N 2 0 243.395 1.350 20 0 BDADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000449597077 388239309 /nfs/dbraw/zinc/23/93/09/388239309.db2.gz YQEBIFGUYBKMOU-ZPFDUUQYSA-N 2 0 249.358 1.174 20 0 BDADRP CC[C@H]([NH3+])CNC(=O)CC1(C[NH3+])CCCCC1 ZINC000449608732 388241110 /nfs/dbraw/zinc/24/11/10/388241110.db2.gz JTRTUWIXQDADLS-NSHDSACASA-N 2 0 241.379 1.139 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)C[C@@H]2CCC[NH2+]2)cc1 ZINC000449618980 388244108 /nfs/dbraw/zinc/24/41/08/388244108.db2.gz MSOWWYXFJPMSJV-ZDUSSCGKSA-N 2 0 247.342 1.487 20 0 BDADRP CCSCC[NH2+][C@H](C)CC[NH+](C)C ZINC000164799295 388248151 /nfs/dbraw/zinc/24/81/51/388248151.db2.gz CSYPESKHNYHXCZ-SNVBAGLBSA-N 2 0 204.383 1.669 20 0 BDADRP [NH3+]CC1(O)CC[NH+](C[C@@H]2CCC(F)(F)C2)CC1 ZINC000397067263 388284801 /nfs/dbraw/zinc/28/48/01/388284801.db2.gz VRMMYFKZPJPDGV-SNVBAGLBSA-N 2 0 248.317 1.207 20 0 BDADRP CCC1(C[NH2+]C[C@H](C)C[NH+](C)C)CCOCC1 ZINC000491588493 388304390 /nfs/dbraw/zinc/30/43/90/388304390.db2.gz IWSSSKGJAWQGDQ-ZDUSSCGKSA-N 2 0 242.407 1.981 20 0 BDADRP C[C@@]1(C[NH3+])CC[N@H+](C[C@@H]2CCSC2)C1 ZINC000261530144 135157452 /nfs/dbraw/zinc/15/74/52/135157452.db2.gz XKHRNJLSPWVVKG-QWRGUYRKSA-N 2 0 214.378 1.410 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H]1CCCSC1 ZINC000261529456 135156139 /nfs/dbraw/zinc/15/61/39/135156139.db2.gz SGJATRYICFSJCS-OUAUKWLOSA-N 2 0 214.378 1.470 20 0 BDADRP CC(C)[C@]1(C)C[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000397217743 388342754 /nfs/dbraw/zinc/34/27/54/388342754.db2.gz DDWHWIYCAJQPKU-MCIONIFRSA-N 2 0 240.391 1.467 20 0 BDADRP Cn1ncc(Cl)c1C[NH2+]CCCC[NH+](C)C ZINC000275642824 388344919 /nfs/dbraw/zinc/34/49/19/388344919.db2.gz VLWBSMITUNUGHZ-UHFFFAOYSA-N 2 0 244.770 1.505 20 0 BDADRP C[C@H](Cc1ccncc1)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000568532395 388356005 /nfs/dbraw/zinc/35/60/05/388356005.db2.gz GMVIVNNCFXTANV-BNOWGMLFSA-N 2 0 233.359 1.872 20 0 BDADRP C[C@@H]1CCC[C@H]1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000300310663 388359382 /nfs/dbraw/zinc/35/93/82/388359382.db2.gz UOTXHTIYSYPJDT-RDBSUJKOSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@@H]1CCC[C@@H]1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000300310662 388359403 /nfs/dbraw/zinc/35/94/03/388359403.db2.gz UOTXHTIYSYPJDT-MCIONIFRSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@@H]([NH3+])CCC(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000646467423 388362869 /nfs/dbraw/zinc/36/28/69/388362869.db2.gz HYDGBDJBPJODRM-NEPJUHHUSA-N 2 0 241.379 1.057 20 0 BDADRP CCn1ccnc1CN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000163846404 388369045 /nfs/dbraw/zinc/36/90/45/388369045.db2.gz DURSEPHVFBWGNU-VXGBXAGGSA-N 2 0 236.363 1.320 20 0 BDADRP CCSCCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400666595 388373683 /nfs/dbraw/zinc/37/36/83/388373683.db2.gz SVYQWKSQOIVONK-MNOVXSKESA-N 2 0 216.394 1.860 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CCOC2)C1 ZINC000164059931 388373827 /nfs/dbraw/zinc/37/38/27/388373827.db2.gz HFMARUPKSYSHEC-BFHYXJOUSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@]1(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCCS1 ZINC000327525469 388376891 /nfs/dbraw/zinc/37/68/91/388376891.db2.gz TYBHJMRVQKNIDG-GRYCIOLGSA-N 2 0 226.389 1.423 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCOCC1CC1 ZINC000236176836 388378055 /nfs/dbraw/zinc/37/80/55/388378055.db2.gz GMWSAGRMXLCSMO-RYUDHWBXSA-N 2 0 212.337 1.130 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CC1(C2CC2)CC1 ZINC000236212553 388378283 /nfs/dbraw/zinc/37/82/83/388378283.db2.gz PGPCVGYIHMNPRY-PWSUYJOCSA-N 2 0 208.349 1.894 20 0 BDADRP CCC[N@@H+]1CCC[C@H]1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000572855498 388381918 /nfs/dbraw/zinc/38/19/18/388381918.db2.gz BJFOIOWIUKFJJS-IHRRRGAJSA-N 3 0 239.407 1.720 20 0 BDADRP COc1ccncc1NCc1cnc(C)n1C ZINC000572900366 388386461 /nfs/dbraw/zinc/38/64/61/388386461.db2.gz AOYHAHITTHFAJJ-UHFFFAOYSA-N 2 0 232.287 1.744 20 0 BDADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(C[NH3+])c1 ZINC000646578994 388388942 /nfs/dbraw/zinc/38/89/42/388388942.db2.gz MVWDSPPJISVZNJ-SKDRFNHKSA-N 2 0 233.315 1.082 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000300965009 388395609 /nfs/dbraw/zinc/39/56/09/388395609.db2.gz PYNJJRIFSKPJHT-VHSXEESVSA-N 2 0 218.291 1.702 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000300965010 388396119 /nfs/dbraw/zinc/39/61/19/388396119.db2.gz PYNJJRIFSKPJHT-ZJUUUORDSA-N 2 0 218.291 1.702 20 0 BDADRP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCC1 ZINC000315825886 388402704 /nfs/dbraw/zinc/40/27/04/388402704.db2.gz ZKZYZLBHTXXBIZ-BFHYXJOUSA-N 2 0 238.375 1.364 20 0 BDADRP C[C@@H](CCc1ccco1)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000572990519 388403709 /nfs/dbraw/zinc/40/37/09/388403709.db2.gz FATKLNKDXOLVTJ-FTYKPCCVSA-N 2 0 220.316 1.408 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+]CC2(O)CCC2)C1 ZINC000573955109 388442757 /nfs/dbraw/zinc/44/27/57/388442757.db2.gz XWIDGVYZZGXDPJ-GFCCVEGCSA-N 2 0 226.364 1.223 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CO[C@@H](C)C2)CC1 ZINC000335426463 388450033 /nfs/dbraw/zinc/45/00/33/388450033.db2.gz WGXTVWAALREZMZ-AAEUAGOBSA-N 2 0 226.364 1.626 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)CCC[NH3+])C1(C)C ZINC000336674631 388462757 /nfs/dbraw/zinc/46/27/57/388462757.db2.gz UWNUCZMFRXESJO-GRYCIOLGSA-N 2 0 228.380 1.907 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cccc(CO)c1 ZINC000336703150 388465479 /nfs/dbraw/zinc/46/54/79/388465479.db2.gz KIIACDUPAVHXKT-GFCCVEGCSA-N 2 0 236.359 1.786 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000309815211 388465971 /nfs/dbraw/zinc/46/59/71/388465971.db2.gz VCSNGDKCUSDPKM-SAXRGWBVSA-N 2 0 222.376 1.962 20 0 BDADRP Cc1cc(CN2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)no1 ZINC000397434724 388469859 /nfs/dbraw/zinc/46/98/59/388469859.db2.gz BONJWLJRQUYFHD-SCVCMEIPSA-N 2 0 237.347 1.788 20 0 BDADRP C[C@H]1C[C@@H]([NH3+])CCN1CCC[NH+]1CCCCC1 ZINC000575998883 388478241 /nfs/dbraw/zinc/47/82/41/388478241.db2.gz PTWUTWSNGQOZBN-KBPBESRZSA-N 2 0 239.407 1.674 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+]C[C@@H]1CCCO1 ZINC000040410254 388414793 /nfs/dbraw/zinc/41/47/93/388414793.db2.gz OHHNRONDYRMNFD-QWRGUYRKSA-N 2 0 200.326 1.128 20 0 BDADRP CC1(C)OCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000336888322 388429546 /nfs/dbraw/zinc/42/95/46/388429546.db2.gz FFIIVFFWQNUEOZ-UPJWGTAASA-N 2 0 238.375 1.770 20 0 BDADRP CC(C)(CO)CCC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000393428964 388429600 /nfs/dbraw/zinc/42/96/00/388429600.db2.gz RJMISIYQELZYAQ-RYUDHWBXSA-N 2 0 228.380 1.502 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CCCC(C)(C)CO ZINC000393420004 388429775 /nfs/dbraw/zinc/42/97/75/388429775.db2.gz LKDNSRZGZRVQFJ-LBPRGKRZSA-N 2 0 230.396 1.892 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCCC(C)(C)CO ZINC000393420000 388429893 /nfs/dbraw/zinc/42/98/93/388429893.db2.gz LKDNSRZGZRVQFJ-GFCCVEGCSA-N 2 0 230.396 1.892 20 0 BDADRP COC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CC1 ZINC000322304628 388431499 /nfs/dbraw/zinc/43/14/99/388431499.db2.gz AFNADMDTOBMMOV-WTUNAVPPSA-N 2 0 238.375 1.626 20 0 BDADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@H](CC(C)C)C1 ZINC000573213041 388432345 /nfs/dbraw/zinc/43/23/45/388432345.db2.gz TVNYUCQZQVWYAC-ZIAGYGMSSA-N 2 0 242.407 1.715 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](CO)CC(C)(C)C ZINC000393536359 388433283 /nfs/dbraw/zinc/43/32/83/388433283.db2.gz ZSAAGCUPBNSOEY-VXGBXAGGSA-N 2 0 230.396 1.891 20 0 BDADRP CC(C)C[C@H](CCO)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000520838201 388538610 /nfs/dbraw/zinc/53/86/10/388538610.db2.gz SWYVQKRQCYSHFQ-MELADBBJSA-N 2 0 242.407 1.891 20 0 BDADRP CCC[C@H](O)C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000649287337 388543928 /nfs/dbraw/zinc/54/39/28/388543928.db2.gz SHCMWTYJARNSCJ-OLZOCXBDSA-N 2 0 237.347 1.681 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000356697477 388550667 /nfs/dbraw/zinc/55/06/67/388550667.db2.gz NFKHCJLEBYFQON-IJLUTSLNSA-N 2 0 214.353 1.661 20 0 BDADRP C[C@H](CCO)CC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000397649297 388487318 /nfs/dbraw/zinc/48/73/18/388487318.db2.gz WBZVPNXYIDESPT-RWMBFGLXSA-N 2 0 228.380 1.515 20 0 BDADRP Cc1ccc(O)c(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)n1 ZINC000311193495 388494676 /nfs/dbraw/zinc/49/46/76/388494676.db2.gz GUKGZGKJHHCMKM-QMTHXVAHSA-N 2 0 249.358 1.512 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCC1([NH+](C)C)CC1 ZINC000397802283 388500109 /nfs/dbraw/zinc/50/01/09/388500109.db2.gz CWPXIRJMHNUOLI-FRRDWIJNSA-N 2 0 239.407 1.399 20 0 BDADRP CC[C@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@H]1CCOC1 ZINC000344330986 388506180 /nfs/dbraw/zinc/50/61/80/388506180.db2.gz OIQVDRRYAOOOLT-KBPBESRZSA-N 2 0 238.375 1.653 20 0 BDADRP COC[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000398026577 388514377 /nfs/dbraw/zinc/51/43/77/388514377.db2.gz JXRWJUQDGMDCGW-CMPLNLGQSA-N 2 0 212.337 1.001 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCOC1 ZINC000246028901 388614650 /nfs/dbraw/zinc/61/46/50/388614650.db2.gz NIMMBYUPDUNYNV-WISYIIOYSA-N 2 0 212.337 1.094 20 0 BDADRP C[C@@H](NCC[C@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC000517712902 388557567 /nfs/dbraw/zinc/55/75/67/388557567.db2.gz QEHOFGURYGXELK-JHJVBQTASA-N 2 0 225.380 1.106 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](C[C@H]2CCCC[C@H]2O)C1 ZINC000328158935 388558482 /nfs/dbraw/zinc/55/84/82/388558482.db2.gz GTPSXPFKWPUOHR-BFHYXJOUSA-N 2 0 240.391 1.598 20 0 BDADRP C[C@@H](CN[C@H]1CC[N@H+](C)C[C@H]1C)[NH+](C)C1CC1 ZINC000361183620 388559691 /nfs/dbraw/zinc/55/96/91/388559691.db2.gz ZGMDOTDAWXQROL-DYEKYZERSA-N 2 0 239.407 1.399 20 0 BDADRP Cn1ccnc1[C@@H]1CC[N@H+](CCCCF)C1 ZINC000521063329 388561401 /nfs/dbraw/zinc/56/14/01/388561401.db2.gz QIQCLBQEOHZRDW-LLVKDONJSA-N 2 0 225.311 1.959 20 0 BDADRP CC[C@@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367615123 388565691 /nfs/dbraw/zinc/56/56/91/388565691.db2.gz JXQJRZLVWVEMIZ-UMSGYPCISA-N 2 0 226.364 1.220 20 0 BDADRP CC[NH+]1CCC(N[C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000252714350 388574716 /nfs/dbraw/zinc/57/47/16/388574716.db2.gz RTSHKKDBNHYXKO-OCCSQVGLSA-N 2 0 239.407 1.401 20 0 BDADRP Cc1ccsc1C[N@H+](C)CCOCC[NH3+] ZINC000261574165 135215777 /nfs/dbraw/zinc/21/57/77/135215777.db2.gz JEEGFYJHGJWEAY-UHFFFAOYSA-N 2 0 228.361 1.464 20 0 BDADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCCCCO)C1 ZINC000081573045 388584411 /nfs/dbraw/zinc/58/44/11/388584411.db2.gz STASNNWNMKPHSB-CQSZACIVSA-N 2 0 242.407 1.813 20 0 BDADRP C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000248464434 388681585 /nfs/dbraw/zinc/68/15/85/388681585.db2.gz RERNELKBBZFFHO-MGPQQGTHSA-N 2 0 242.407 1.715 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@H](F)C1 ZINC000521624406 388619983 /nfs/dbraw/zinc/61/99/83/388619983.db2.gz BDJHWMDDBHDITI-OUAUKWLOSA-N 2 0 202.317 1.984 20 0 BDADRP CCn1cc(CN[C@@H]2CC[NH2+]C23CCC3)cn1 ZINC000530178337 388621350 /nfs/dbraw/zinc/62/13/50/388621350.db2.gz KJEYUSZBMPCRHF-GFCCVEGCSA-N 2 0 234.347 1.277 20 0 BDADRP C[C@H]([NH2+]Cc1ccc2cn(C)nc2c1)C1C[NH2+]C1 ZINC000530217120 388630090 /nfs/dbraw/zinc/63/00/90/388630090.db2.gz FVSWJNVIKQSLSY-JTQLQIEISA-N 2 0 244.342 1.271 20 0 BDADRP C[NH+](C)C[C@H]1CC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000189307520 388630568 /nfs/dbraw/zinc/63/05/68/388630568.db2.gz MCBKVEJMAGFNAQ-OLZOCXBDSA-N 2 0 226.364 1.439 20 0 BDADRP COC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)C(C)C ZINC000083397614 388639484 /nfs/dbraw/zinc/63/94/84/388639484.db2.gz NLQZLEHFWRJCRE-STQMWFEESA-N 2 0 228.380 1.589 20 0 BDADRP C(C[N@@H+]1CCO[C@H]2CCC[C@@H]21)[C@H]1CC[NH2+]C1 ZINC000251086983 388641821 /nfs/dbraw/zinc/64/18/21/388641821.db2.gz HVSZJRVVXBQCTK-AGIUHOORSA-N 2 0 224.348 1.239 20 0 BDADRP CCOC[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000222990953 388647604 /nfs/dbraw/zinc/64/76/04/388647604.db2.gz UVQUYAJAHVVLPX-HBNTYKKESA-N 2 0 200.326 1.271 20 0 BDADRP CC(C)[N@H+](C)CCN[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000223055772 388648871 /nfs/dbraw/zinc/64/88/71/388648871.db2.gz WSXZCYPCPYIJKV-QWHCGFSZSA-N 2 0 227.396 1.256 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@H]1CCC[NH+]1C ZINC000246875870 388653939 /nfs/dbraw/zinc/65/39/39/388653939.db2.gz DSRUCNLBJNKYHG-SYQHCUMBSA-N 2 0 239.407 1.399 20 0 BDADRP CC[C@H](C)[C@@H](C)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000247075805 388658380 /nfs/dbraw/zinc/65/83/80/388658380.db2.gz QLXDCDQDUNHYGQ-MELADBBJSA-N 2 0 241.423 1.647 20 0 BDADRP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)COC)C1 ZINC000247185818 388659810 /nfs/dbraw/zinc/65/98/10/388659810.db2.gz BMYLVIBLLSEFOK-OLZOCXBDSA-N 2 0 228.380 1.685 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@H]1CC[NH2+]CC[C@@H]1C ZINC000422721904 388685837 /nfs/dbraw/zinc/68/58/37/388685837.db2.gz WJSWXUZADPCWGN-IHRRRGAJSA-N 2 0 241.423 1.694 20 0 BDADRP c1cn(CC[NH2+]C[C@@H]2CCSC2)cn1 ZINC000224399424 388664122 /nfs/dbraw/zinc/66/41/22/388664122.db2.gz RWHMROYNIPRLTM-JTQLQIEISA-N 2 0 211.334 1.226 20 0 BDADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](C)COC)C1 ZINC000249849086 388734552 /nfs/dbraw/zinc/73/45/52/388734552.db2.gz OZZAPYVEVAEXSY-UONOGXRCSA-N 2 0 242.407 1.933 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]2Cc3ccccc3O2)C1 ZINC000250843697 388741675 /nfs/dbraw/zinc/74/16/75/388741675.db2.gz HDFITYVMLGNJQM-MGPQQGTHSA-N 2 0 246.354 1.850 20 0 BDADRP CC[C@@](C)(O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000249434906 388722286 /nfs/dbraw/zinc/72/22/86/388722286.db2.gz ZZOAPIMSXOIOIT-QWHCGFSZSA-N 2 0 228.380 1.421 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCc2cnn(C)c2)CC[N@@H+]1C ZINC000127792620 388731934 /nfs/dbraw/zinc/73/19/34/388731934.db2.gz OIWAWCLOGOXAST-YPMHNXCESA-N 2 0 236.363 1.035 20 0 BDADRP C(CN1CCC1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000540397745 388803964 /nfs/dbraw/zinc/80/39/64/388803964.db2.gz LMQMEDICHLVJMV-UHFFFAOYSA-N 2 0 237.391 1.156 20 0 BDADRP CC[C@H](O)C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000229967174 388807043 /nfs/dbraw/zinc/80/70/43/388807043.db2.gz NIPJNDAIYSSCEH-BIMULSAOSA-N 2 0 220.316 1.492 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCOC2)CC[N@@H+]1C ZINC000252203141 388762293 /nfs/dbraw/zinc/76/22/93/388762293.db2.gz WRECUQSEKWUBPY-IJLUTSLNSA-N 2 0 212.337 1.095 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCCS1 ZINC000252710958 388773356 /nfs/dbraw/zinc/77/33/56/388773356.db2.gz IDGYWTNNEKRUAB-UTUOFQBUSA-N 2 0 228.405 1.812 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCOC2)[C@H](C)C1 ZINC000252716268 388774834 /nfs/dbraw/zinc/77/48/34/388774834.db2.gz YAHRIYBSWOHYLL-UPJWGTAASA-N 2 0 226.364 1.343 20 0 BDADRP CC(C)C[NH+]1CCC(N[C@@H]2CC[N@H+](C)C2)CC1 ZINC000228757920 388821466 /nfs/dbraw/zinc/82/14/66/388821466.db2.gz WQUJYQLDJUORIL-CQSZACIVSA-N 2 0 239.407 1.401 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@]1(C)CO ZINC000554811768 388831002 /nfs/dbraw/zinc/83/10/02/388831002.db2.gz JORUGTUZYLEPRX-CYBMUJFWSA-N 2 0 228.380 1.565 20 0 BDADRP CN(CCC[NH+](C)C)Cc1cnc2cnccn12 ZINC000554875305 388834473 /nfs/dbraw/zinc/83/44/73/388834473.db2.gz WWTPVSUJCWHKQZ-UHFFFAOYSA-N 2 0 247.346 1.113 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCOC2)C1 ZINC000069606454 388851991 /nfs/dbraw/zinc/85/19/91/388851991.db2.gz CLYMYOINCGVENM-VXGBXAGGSA-N 2 0 212.337 1.097 20 0 BDADRP CC(C)OCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000129643811 388861089 /nfs/dbraw/zinc/86/10/89/388861089.db2.gz GJGFFLYMULFCIK-QWHCGFSZSA-N 2 0 228.380 1.874 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CC2CCOCC2)CC[N@@H+]1C ZINC000094722726 388868078 /nfs/dbraw/zinc/86/80/78/388868078.db2.gz VCZOAAWYHUSMKC-AAEUAGOBSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCCOCC2CC2)CC[N@@H+]1C ZINC000129821636 388871919 /nfs/dbraw/zinc/87/19/19/388871919.db2.gz OFSXUOFVNNYPLX-GXTWGEPZSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000565227245 388929621 /nfs/dbraw/zinc/92/96/21/388929621.db2.gz WWUUZMURQUTUOO-UPJWGTAASA-N 2 0 242.407 1.889 20 0 BDADRP CC[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000565718152 388966332 /nfs/dbraw/zinc/96/63/32/388966332.db2.gz HKONPHPLPALHIG-QJPTWQEYSA-N 2 0 241.379 1.055 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCC[C@@H](F)C1 ZINC000565775676 388968686 /nfs/dbraw/zinc/96/86/86/388968686.db2.gz NLOPNELJRSGHIW-PPCPHDFISA-N 2 0 244.354 1.609 20 0 BDADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC000565357496 388939498 /nfs/dbraw/zinc/93/94/98/388939498.db2.gz FUZQWJWGUWQYNM-CYZMBNFOSA-N 2 0 240.391 1.765 20 0 BDADRP Cc1c[nH+]ccc1N1CCC[C@@H](C[NH3+])C1 ZINC000070047567 132229889 /nfs/dbraw/zinc/22/98/89/132229889.db2.gz SYZXRDNTLFXCNI-NSHDSACASA-N 2 0 205.305 1.565 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCCOCC(F)(F)F ZINC000566089266 388986282 /nfs/dbraw/zinc/98/62/82/388986282.db2.gz PNDWNFQSAYWIRL-RKDXNWHRSA-N 2 0 240.269 1.425 20 0 BDADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cccnc1 ZINC000271491334 389021899 /nfs/dbraw/zinc/02/18/99/389021899.db2.gz FKXRFZZOBIJGKM-GFCCVEGCSA-N 2 0 249.358 1.189 20 0 BDADRP Cc1n[nH]c(C)c1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271877673 389026751 /nfs/dbraw/zinc/02/67/51/389026751.db2.gz ZYKZBUDYLSOKJE-UHFFFAOYSA-N 2 0 234.347 1.378 20 0 BDADRP C[C@@H]([NH2+]CCO)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272491243 389034304 /nfs/dbraw/zinc/03/43/04/389034304.db2.gz NBQBNOSYYBXPDO-UKRRQHHQSA-N 2 0 248.370 1.479 20 0 BDADRP COCCCCC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400518716 533234273 /nfs/dbraw/zinc/23/42/73/533234273.db2.gz NTQMRQVHLKHITI-VXGBXAGGSA-N 2 0 214.353 1.533 20 0 BDADRP C[C@@H](NCC1([NH+](C)C)CCC1)[C@@H]1CCC[NH2+]1 ZINC000400502467 533360293 /nfs/dbraw/zinc/36/02/93/533360293.db2.gz CLFOGIFZAPOPJR-NEPJUHHUSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H](NCCC[NH+]1CCCCC1)[C@H]1CCC[NH2+]1 ZINC000400715997 533381959 /nfs/dbraw/zinc/38/19/59/533381959.db2.gz NHFHMXKOWJNFDU-ZIAGYGMSSA-N 2 0 239.407 1.593 20 0 BDADRP C[C@@H]([NH2+]CCCn1ccnc1)[C@H]1CCC[NH2+]1 ZINC000400643754 533392460 /nfs/dbraw/zinc/39/24/60/533392460.db2.gz OOQRYQCBSHNKFK-VXGBXAGGSA-N 2 0 222.336 1.003 20 0 BDADRP C[C@@H](CCCC[NH3+])NC(=O)C1([NH3+])CCCCC1 ZINC000495172098 533531514 /nfs/dbraw/zinc/53/15/14/533531514.db2.gz YQCLRXRJIGHQDF-NSHDSACASA-N 2 0 241.379 1.282 20 0 BDADRP COCC[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC000274771094 132203866 /nfs/dbraw/zinc/20/38/66/132203866.db2.gz RTFNTRPUCLRDKK-UHFFFAOYSA-N 2 0 235.331 1.158 20 0 BDADRP C[C@@H](CO)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000035602155 132338568 /nfs/dbraw/zinc/33/85/68/132338568.db2.gz SBLDSPCSHFGSMJ-NSHDSACASA-N 2 0 235.331 1.021 20 0 BDADRP COCCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000036960340 132343013 /nfs/dbraw/zinc/34/30/13/132343013.db2.gz HPVCJFNVGJIXED-UHFFFAOYSA-N 2 0 249.358 1.677 20 0 BDADRP C[C@@H]1CC[N@H+](CC2CCOCC2)C[C@H]1C[NH3+] ZINC000253198899 133653582 /nfs/dbraw/zinc/65/35/82/133653582.db2.gz BBHURMWWUXPILH-DGCLKSJQSA-N 2 0 226.364 1.330 20 0 BDADRP Cc1n[nH]cc1CN1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000335970973 134029846 /nfs/dbraw/zinc/02/98/46/134029846.db2.gz JORNIBVPOPWOOP-WCQYABFASA-N 2 0 234.347 1.244 20 0 BDADRP Cc1ncc(C[N@H+](C)CC2CC[NH+](C)CC2)cn1 ZINC000352015868 134036470 /nfs/dbraw/zinc/03/64/70/134036470.db2.gz SNKAEYNZGOBMSI-UHFFFAOYSA-N 2 0 248.374 1.559 20 0 BDADRP C[C@H]1C[N@H+](Cc2cccc3c2NCC3)CC[C@@H]1[NH3+] ZINC000336055830 134066333 /nfs/dbraw/zinc/06/63/33/134066333.db2.gz PIQNPUOWVIIDOJ-FZMZJTMJSA-N 2 0 245.370 1.824 20 0 BDADRP CCC[C@](C)(O)C[NH2+]C1CC[NH+](CC)CC1 ZINC000167584087 134095601 /nfs/dbraw/zinc/09/56/01/134095601.db2.gz JQILLGVRFVCVSK-ZDUSSCGKSA-N 2 0 228.380 1.611 20 0 BDADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)C1CC1 ZINC000177302944 134299420 /nfs/dbraw/zinc/29/94/20/134299420.db2.gz JSQQLKNZPOZIKC-CYBMUJFWSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000178411321 134310259 /nfs/dbraw/zinc/31/02/59/134310259.db2.gz ATYFRXGGEPGGJH-BXKDBHETSA-N 2 0 233.315 1.397 20 0 BDADRP COC1CC([NH2+]CCC[NH+]2CCCCC2)C1 ZINC000220829522 134316175 /nfs/dbraw/zinc/31/61/75/134316175.db2.gz DWFJQKNNJIIXGP-UHFFFAOYSA-N 2 0 226.364 1.629 20 0 BDADRP COC1CC([NH2+]CC2(C)CC[NH+](C)CC2)C1 ZINC000221264214 134322402 /nfs/dbraw/zinc/32/24/02/134322402.db2.gz GWJHCLMKSNMDIQ-UHFFFAOYSA-N 2 0 226.364 1.485 20 0 BDADRP COC[C@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000223332575 134338559 /nfs/dbraw/zinc/33/85/59/134338559.db2.gz WZBGEEUIMDKZOT-YVECIDJPSA-N 2 0 228.380 1.587 20 0 BDADRP CCC[C@@H]([NH3+])C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000184169356 134359524 /nfs/dbraw/zinc/35/95/24/134359524.db2.gz VGWCOXHHDPCXRS-CYBMUJFWSA-N 2 0 249.358 1.101 20 0 BDADRP COCC[C@H](C)[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000226539711 134366010 /nfs/dbraw/zinc/36/60/10/134366010.db2.gz LGRBKLUTXMBCKX-HBNTYKKESA-N 2 0 200.326 1.081 20 0 BDADRP CCC(CC)(CO)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226864139 134370356 /nfs/dbraw/zinc/37/03/56/134370356.db2.gz SYNXIPMXSDPGEW-QWHCGFSZSA-N 2 0 242.407 1.857 20 0 BDADRP C[N@@H+]1CCC[C@H]2C[NH+](CCCCCO)CC[C@H]21 ZINC000227342750 134378086 /nfs/dbraw/zinc/37/80/86/134378086.db2.gz JZZMLWICWPFGCU-UONOGXRCSA-N 2 0 240.391 1.565 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCCC[C@@H]1C ZINC000234806263 134584219 /nfs/dbraw/zinc/58/42/19/134584219.db2.gz ZRONFRWEKQALTR-RWMBFGLXSA-N 2 0 228.380 1.909 20 0 BDADRP OCCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000051907743 134692311 /nfs/dbraw/zinc/69/23/11/134692311.db2.gz DEDJGIHNFIREJA-UHFFFAOYSA-N 2 0 226.364 1.177 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@H]2CCC[NH+]2C)[C@@H]1CO ZINC000248917552 135026172 /nfs/dbraw/zinc/02/61/72/135026172.db2.gz KCNOYJUZTFCMEO-JHJVBQTASA-N 2 0 226.364 1.173 20 0 BDADRP CC[C@@H](C)[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000249052761 135031350 /nfs/dbraw/zinc/03/13/50/135031350.db2.gz XUXIEZKAWCCLOE-RKFYDKJMSA-N 2 0 240.391 1.608 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH+]2C)CC[C@@H]1O ZINC000249131794 135034509 /nfs/dbraw/zinc/03/45/09/135034509.db2.gz LVWXDBGESYONLL-UPJWGTAASA-N 2 0 226.364 1.173 20 0 BDADRP COC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000250456037 135054694 /nfs/dbraw/zinc/05/46/94/135054694.db2.gz IKABRSCPQHLURP-IHRRRGAJSA-N 2 0 238.375 1.628 20 0 BDADRP Cc1nccn1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250842330 135060112 /nfs/dbraw/zinc/06/01/12/135060112.db2.gz VMIRXLGNDBKONX-KBPBESRZSA-N 2 0 248.374 1.408 20 0 BDADRP COC[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251001557 135061084 /nfs/dbraw/zinc/06/10/84/135061084.db2.gz PRJKEOUJVZLPTB-SRVKXCTJSA-N 2 0 212.337 1.238 20 0 BDADRP C[C@H](CC[NH+](C)C)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251169116 135065604 /nfs/dbraw/zinc/06/56/04/135065604.db2.gz DOOALPWVSSBPNZ-RDBSUJKOSA-N 2 0 239.407 1.543 20 0 BDADRP C[C@H](CCO)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000251201300 135065978 /nfs/dbraw/zinc/06/59/78/135065978.db2.gz KTGCNXWPRLQPKE-AAVRWANBSA-N 2 0 240.391 1.515 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCCO1 ZINC000251455483 135069895 /nfs/dbraw/zinc/06/98/95/135069895.db2.gz CCOCOJRQQBETMJ-RFQIPJPRSA-N 2 0 238.375 1.770 20 0 BDADRP C[C@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CCCO1 ZINC000251942346 135081013 /nfs/dbraw/zinc/08/10/13/135081013.db2.gz ZSCGDHLMPDFEAZ-NWDGAFQWSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1C[C@H]1CCCOC1 ZINC000252107581 135083374 /nfs/dbraw/zinc/08/33/74/135083374.db2.gz JCVXEOKSMWMAOC-UTUOFQBUSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@H]1CCC[N@H+](CCOCC[NH3+])[C@H]1C ZINC000252122242 135083592 /nfs/dbraw/zinc/08/35/92/135083592.db2.gz JNVGUBHXAMGNHE-QWRGUYRKSA-N 2 0 200.326 1.082 20 0 BDADRP CCC(CC)(CC)[NH2+]CCOCC[NH3+] ZINC000086435876 135084125 /nfs/dbraw/zinc/08/41/25/135084125.db2.gz WHTMCURVOIYURE-UHFFFAOYSA-N 2 0 202.342 1.520 20 0 BDADRP C[C@H]1CC[C@H](C)[N@H+](CCOCC[NH3+])C1 ZINC000086435898 135084258 /nfs/dbraw/zinc/08/42/58/135084258.db2.gz CYAZNSCOQXMAGU-QWRGUYRKSA-N 2 0 200.326 1.082 20 0 BDADRP C[N@H+](CCOCC[NH3+])Cc1cccc(F)c1 ZINC000086435366 135084325 /nfs/dbraw/zinc/08/43/25/135084325.db2.gz XPOGHDKALDEWKA-UHFFFAOYSA-N 2 0 226.295 1.233 20 0 BDADRP C([NH2+][C@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C1CC1 ZINC000086494196 135086620 /nfs/dbraw/zinc/08/66/20/135086620.db2.gz FUDNZJUIIJAXLA-AGIUHOORSA-N 2 0 208.349 1.907 20 0 BDADRP Cc1c(CN2CCCC[C@H]2C[NH3+])cnn1C ZINC000086552424 135089890 /nfs/dbraw/zinc/08/98/90/135089890.db2.gz KLMCIQQYCHTHKS-LBPRGKRZSA-N 2 0 222.336 1.042 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCO[C@H]1C ZINC000252691761 135096830 /nfs/dbraw/zinc/09/68/30/135096830.db2.gz YYTOYVZTUAUONB-VWYCJHECSA-N 2 0 200.326 1.094 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252733291 135104847 /nfs/dbraw/zinc/10/48/47/135104847.db2.gz YSKLKVARBULHFK-FRRDWIJNSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000252768517 135108697 /nfs/dbraw/zinc/10/86/97/135108697.db2.gz RWLBRHLFSADBKK-FIQHERPVSA-N 2 0 214.353 1.253 20 0 BDADRP CCCCOCC[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252790401 135111000 /nfs/dbraw/zinc/11/10/00/135111000.db2.gz YUBOLZSXFJALAC-NWDGAFQWSA-N 2 0 214.353 1.472 20 0 BDADRP Nc1cccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000261642874 135111352 /nfs/dbraw/zinc/11/13/52/135111352.db2.gz GQCMVPRDSPCLGS-GFCCVEGCSA-N 2 0 219.332 1.440 20 0 BDADRP [NH3+]CC[C@H]1CCC[N@H+](CCOCC(F)F)C1 ZINC000262068726 135114197 /nfs/dbraw/zinc/11/41/97/135114197.db2.gz BTPDSHHSUYENLY-SNVBAGLBSA-N 2 0 236.306 1.329 20 0 BDADRP C[C@H]1C[C@H]1C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000253140403 135122365 /nfs/dbraw/zinc/12/23/65/135122365.db2.gz WNZASHWHQKJURP-CYDGBPFRSA-N 2 0 210.365 1.997 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)O1 ZINC000253312525 135126401 /nfs/dbraw/zinc/12/64/01/135126401.db2.gz WABYMKJPPKYLSU-LOWDOPEQSA-N 2 0 226.364 1.484 20 0 BDADRP C[NH2+]CCCN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000087472572 135143653 /nfs/dbraw/zinc/14/36/53/135143653.db2.gz ACXQLODOWBIGGA-ZDUSSCGKSA-N 3 0 227.396 1.402 20 0 BDADRP COC[C@@H]([NH2+][C@H](C)CC[NH+](C)C)C(C)C ZINC000087479633 135144402 /nfs/dbraw/zinc/14/44/02/135144402.db2.gz JJAJMWXEWGJUEK-VXGBXAGGSA-N 2 0 216.369 1.587 20 0 BDADRP C[C@]1(C[NH3+])CCN(Cc2cscn2)C1 ZINC000261529106 135154782 /nfs/dbraw/zinc/15/47/82/135154782.db2.gz PCJVJOJIDGGNQE-SNVBAGLBSA-N 2 0 211.334 1.314 20 0 BDADRP C[N@H+](C[C@@H]1CCOC1)[C@H]1CCC[NH2+]CC1 ZINC000261530292 135157659 /nfs/dbraw/zinc/15/76/59/135157659.db2.gz CGAIQBLTQDXZFI-RYUDHWBXSA-N 2 0 212.337 1.097 20 0 BDADRP CC(C)OCCC[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000087646235 135161006 /nfs/dbraw/zinc/16/10/06/135161006.db2.gz MEFNNFOZKHBTLR-GFCCVEGCSA-N 2 0 214.353 1.391 20 0 BDADRP COc1ccc(C[N@H+](C)C2CC([NH3+])C2)cc1 ZINC000087653307 135161162 /nfs/dbraw/zinc/16/11/62/135161162.db2.gz MRHOFWMNRXCUGJ-UHFFFAOYSA-N 2 0 220.316 1.617 20 0 BDADRP C[C@@H]([NH3+])[C@@H](C)[NH2+]C1Cc2ccccc2C1 ZINC000261532656 135163142 /nfs/dbraw/zinc/16/31/42/135163142.db2.gz KCIZPKRVQNPWSE-NXEZZACHSA-N 2 0 204.317 1.479 20 0 BDADRP C[C@H]([NH3+])[C@H](C)[NH2+]C1Cc2ccccc2C1 ZINC000261532657 135163512 /nfs/dbraw/zinc/16/35/12/135163512.db2.gz KCIZPKRVQNPWSE-UWVGGRQHSA-N 2 0 204.317 1.479 20 0 BDADRP C[C@@H]([NH2+]C1Cc2ccccc2C1)[C@H](C)[NH3+] ZINC000261532658 135163672 /nfs/dbraw/zinc/16/36/72/135163672.db2.gz KCIZPKRVQNPWSE-VHSXEESVSA-N 2 0 204.317 1.479 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000261533029 135163889 /nfs/dbraw/zinc/16/38/89/135163889.db2.gz GBFSVJMTFUFPRU-FRRDWIJNSA-N 2 0 226.364 1.520 20 0 BDADRP CC[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CCCO1 ZINC000261533057 135164445 /nfs/dbraw/zinc/16/44/45/135164445.db2.gz GLEZBNJXBJFVSF-CYBMUJFWSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H]1CC[C@@H](C)N(Cc2noc(CN)n2)C1 ZINC000261535440 135169340 /nfs/dbraw/zinc/16/93/40/135169340.db2.gz YWFMFUWJAXYETP-RKDXNWHRSA-N 2 0 224.308 1.149 20 0 BDADRP CS[C@H]1CCCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000261536759 135172089 /nfs/dbraw/zinc/17/20/89/135172089.db2.gz SUZZBPPFOKKCFO-JTQLQIEISA-N 2 0 216.394 1.941 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](C[C@H]2CCCOC2)C1 ZINC000261537410 135173983 /nfs/dbraw/zinc/17/39/83/135173983.db2.gz VMNIITUBYNURSD-VXGBXAGGSA-N 2 0 212.337 1.084 20 0 BDADRP CSC[C@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261539266 135178167 /nfs/dbraw/zinc/17/81/67/135178167.db2.gz BZNSXUIEKIOBLO-NWDGAFQWSA-N 2 0 228.405 1.813 20 0 BDADRP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]([NH3+])[C@@H](C)CC ZINC000261539949 135178578 /nfs/dbraw/zinc/17/85/78/135178578.db2.gz CRJKPTLMDMLVAO-QJPTWQEYSA-N 2 0 243.395 1.206 20 0 BDADRP CC(C)n1cc(CN2CC[C@H]([C@H](C)[NH3+])C2)cn1 ZINC000261539950 135178591 /nfs/dbraw/zinc/17/85/91/135178591.db2.gz CSPHSWJNPDHTAP-AAEUAGOBSA-N 2 0 236.363 1.633 20 0 BDADRP COC(=O)C(C)(C)C[NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000261540965 135180520 /nfs/dbraw/zinc/18/05/20/135180520.db2.gz ASKKACRIPZFZER-QWRGUYRKSA-N 2 0 242.363 1.306 20 0 BDADRP C[C@H](c1cccnc1)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261542126 135182728 /nfs/dbraw/zinc/18/27/28/135182728.db2.gz BVIWQPVHFLACGH-VZZFWQQMSA-N 2 0 231.343 1.812 20 0 BDADRP COCC(C)(C)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000261543139 135183673 /nfs/dbraw/zinc/18/36/73/135183673.db2.gz HNEVUVQPIKLQMG-NSHDSACASA-N 2 0 214.353 1.330 20 0 BDADRP CSCCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000084216907 135192460 /nfs/dbraw/zinc/19/24/60/135192460.db2.gz HASYXFIFLGRINO-WDEREUQCSA-N 2 0 216.394 1.847 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000084216680 135192551 /nfs/dbraw/zinc/19/25/51/135192551.db2.gz CVURJXWSTSIQKH-WTIISPKJSA-N 3 0 225.380 1.363 20 0 BDADRP Cn1nccc1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000084216831 135192720 /nfs/dbraw/zinc/19/27/20/135192720.db2.gz HGHOCUSWHONLER-PWSUYJOCSA-N 2 0 222.336 1.027 20 0 BDADRP CSCCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000084216905 135192822 /nfs/dbraw/zinc/19/28/22/135192822.db2.gz HASYXFIFLGRINO-MNOVXSKESA-N 2 0 216.394 1.847 20 0 BDADRP C[C@@H](O)C[C@@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261553877 135193956 /nfs/dbraw/zinc/19/39/56/135193956.db2.gz OJIYMEXOZSVMDN-OCCSQVGLSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@H](O)C[C@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261553875 135194113 /nfs/dbraw/zinc/19/41/13/135194113.db2.gz OJIYMEXOZSVMDN-GXTWGEPZSA-N 2 0 240.391 1.611 20 0 BDADRP Oc1cccc(CN2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261557186 135198216 /nfs/dbraw/zinc/19/82/16/135198216.db2.gz RMKGOUANGOQELV-QWHCGFSZSA-N 2 0 232.327 1.434 20 0 BDADRP C([C@H]1CCC[NH2+]C1)[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000261560068 135200444 /nfs/dbraw/zinc/20/04/44/135200444.db2.gz ZMCNCLMPIYBPAL-WCQYABFASA-N 2 0 208.349 1.718 20 0 BDADRP COCC(C)(C)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000261559686 135200654 /nfs/dbraw/zinc/20/06/54/135200654.db2.gz ZFRYNLIGGIIYKG-MNOVXSKESA-N 2 0 214.353 1.328 20 0 BDADRP C[N@H+](CC[C@H]1CCOC1)CC(C)(C)C[NH3+] ZINC000261564090 135205807 /nfs/dbraw/zinc/20/58/07/135205807.db2.gz CFXXRBKBBFGQAH-NSHDSACASA-N 2 0 214.353 1.330 20 0 BDADRP C[NH+](C)[C@@H]1CCCN(CC(C)(C)[NH3+])CC1 ZINC000261564385 135205830 /nfs/dbraw/zinc/20/58/30/135205830.db2.gz CLNZPJPXISOEAJ-LLVKDONJSA-N 2 0 213.369 1.140 20 0 BDADRP Cn1cc([C@H]2CCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)cn1 ZINC000261569891 135212059 /nfs/dbraw/zinc/21/20/59/135212059.db2.gz KCFMJVFORBCBOF-TZMCWYRMSA-N 2 0 248.374 1.557 20 0 BDADRP CCOCC(C)(C)C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000261571298 135212786 /nfs/dbraw/zinc/21/27/86/135212786.db2.gz HKGRPIRNCGDFOI-RYUDHWBXSA-N 2 0 228.380 1.766 20 0 BDADRP CC(=O)Nc1ccc(CN2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000261576583 135217683 /nfs/dbraw/zinc/21/76/83/135217683.db2.gz NUNOKZFIXRSYIL-HZMBPMFUSA-N 2 0 247.342 1.567 20 0 BDADRP c1csc(C[NH2+]CC[C@H]2CC[NH2+]C2)c1 ZINC000084384927 135218155 /nfs/dbraw/zinc/21/81/55/135218155.db2.gz XLEPVTSCKFLLNB-SNVBAGLBSA-N 2 0 210.346 1.837 20 0 BDADRP [NH3+]CC1CC[NH+](CCOCC2CC2)CC1 ZINC000261577043 135218502 /nfs/dbraw/zinc/21/85/02/135218502.db2.gz KVBOULSAYBTTFS-UHFFFAOYSA-N 2 0 212.337 1.084 20 0 BDADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CCc2ccccc2C1 ZINC000261580248 135220938 /nfs/dbraw/zinc/22/09/38/135220938.db2.gz MUUSGEAJCXNHND-MJVIPROJSA-N 2 0 218.344 1.869 20 0 BDADRP COCC1(C[NH2+][C@H]2CCC[NH2+]CC2)CCC1 ZINC000261581759 135222418 /nfs/dbraw/zinc/22/24/18/135222418.db2.gz NXGKRMZFFQBQER-LBPRGKRZSA-N 2 0 226.364 1.535 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H]1CCCOCC1 ZINC000261583373 135223979 /nfs/dbraw/zinc/22/39/79/135223979.db2.gz OYOYDRFHFACLLV-UPJWGTAASA-N 2 0 226.364 1.676 20 0 BDADRP COCC(C)(C)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000261583063 135224481 /nfs/dbraw/zinc/22/44/81/135224481.db2.gz OUYUDVFIAVSSJR-RYUDHWBXSA-N 2 0 228.380 1.766 20 0 BDADRP COc1ccccc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261584042 135224755 /nfs/dbraw/zinc/22/47/55/135224755.db2.gz SAOPIEFKHCQPEO-YUTCNCBUSA-N 2 0 246.354 1.864 20 0 BDADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc(F)c1 ZINC000261589335 135230089 /nfs/dbraw/zinc/23/00/89/135230089.db2.gz TVFMTBRAUHDPEQ-GXFFZTMASA-N 2 0 222.307 1.913 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)c1ccsc1 ZINC000261593424 135233329 /nfs/dbraw/zinc/23/33/29/135233329.db2.gz WUMDYSKPQGZMOL-WCQGTBRESA-N 2 0 240.372 1.499 20 0 BDADRP C[C@@H](O)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000261595228 135235042 /nfs/dbraw/zinc/23/50/42/135235042.db2.gz XYAFZZISIRAAQK-MROQNXINSA-N 2 0 226.364 1.268 20 0 BDADRP COc1ccsc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000261596815 135235804 /nfs/dbraw/zinc/23/58/04/135235804.db2.gz YXOPRGUBMRSKJL-SECBINFHSA-N 2 0 226.345 1.537 20 0 BDADRP C[C@H]1C[NH2+]CC[C@@H]1NCc1ccccc1F ZINC000261598484 135237152 /nfs/dbraw/zinc/23/71/52/135237152.db2.gz ZOYQROJPYPPABJ-GWCFXTLKSA-N 2 0 222.307 1.913 20 0 BDADRP C[C@H](O)C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261547702 135241069 /nfs/dbraw/zinc/24/10/69/135241069.db2.gz IOQJGLFXHJDNTG-BFHYXJOUSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@H](O)C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261547704 135241237 /nfs/dbraw/zinc/24/12/37/135241237.db2.gz IOQJGLFXHJDNTG-MELADBBJSA-N 2 0 240.391 1.611 20 0 BDADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)[NH3+])CC(C)C ZINC000164408369 135243182 /nfs/dbraw/zinc/24/31/82/135243182.db2.gz AEMXVPOJXPEKDM-NWDGAFQWSA-N 2 0 243.395 1.206 20 0 BDADRP CCc1ccc([C@H]2C[NH2+]CCN2C[C@H](C)[NH3+])cc1 ZINC000261689187 135245996 /nfs/dbraw/zinc/24/59/96/135245996.db2.gz IXSCBVLSUWFLKL-SWLSCSKDSA-N 2 0 247.386 1.543 20 0 BDADRP C[C@H](O)C1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261714686 135247812 /nfs/dbraw/zinc/24/78/12/135247812.db2.gz FCEDGLLOFZBEOX-AAEUAGOBSA-N 2 0 226.364 1.079 20 0 BDADRP Cc1noc(C)c1C[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261728452 135248175 /nfs/dbraw/zinc/24/81/75/135248175.db2.gz NZYUNJSRWRWYMM-BXKDBHETSA-N 2 0 237.347 1.769 20 0 BDADRP CN(C)[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000084419910 135248750 /nfs/dbraw/zinc/24/87/50/135248750.db2.gz RCTGPEFIWDMRKD-CYBMUJFWSA-N 2 0 225.380 1.012 20 0 BDADRP C[C@H]([NH3+])CC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000261812107 135255481 /nfs/dbraw/zinc/25/54/81/135255481.db2.gz LXDYQWYLXCOVMM-SRVKXCTJSA-N 2 0 241.379 1.103 20 0 BDADRP C[C@@]1(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)CC[NH2+]C1 ZINC000261867830 135258301 /nfs/dbraw/zinc/25/83/01/135258301.db2.gz ODHSSCITLFOKPP-DGCLKSJQSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H]1CC[N@H+](C)CCN1C[C@@]1(C)CC[NH2+]C1 ZINC000261900370 135261574 /nfs/dbraw/zinc/26/15/74/135261574.db2.gz VWJACXDCKHZOKI-OLZOCXBDSA-N 2 0 225.380 1.012 20 0 BDADRP COC(=O)C(C)(C)CC[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000261922863 135263460 /nfs/dbraw/zinc/26/34/60/135263460.db2.gz KRECXHWALBYCLY-QWRGUYRKSA-N 2 0 242.363 1.245 20 0 BDADRP COC(=O)C(C)(C)CC[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000261922864 135263729 /nfs/dbraw/zinc/26/37/29/135263729.db2.gz KRECXHWALBYCLY-WDEREUQCSA-N 2 0 242.363 1.245 20 0 BDADRP C[NH2+]CC1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000261943985 135264726 /nfs/dbraw/zinc/26/47/26/135264726.db2.gz NDPZSMCDCSUSTG-CYBMUJFWSA-N 2 0 226.364 1.344 20 0 BDADRP COCC(C)(C)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261956367 135266235 /nfs/dbraw/zinc/26/62/35/135266235.db2.gz OSVPZATYNBMPKC-SDDRHHMPSA-N 2 0 226.364 1.328 20 0 BDADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)[C@@H]1CCCCO1 ZINC000262002013 135271417 /nfs/dbraw/zinc/27/14/17/135271417.db2.gz PWETVTIEYGOUDY-XVSSEFHLSA-N 2 0 226.364 1.804 20 0 BDADRP CC[N@H+](C)C[C@H]1CCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000262006826 135272381 /nfs/dbraw/zinc/27/23/81/135272381.db2.gz LWVNYZFQGFZIEJ-ZIAGYGMSSA-N 2 0 239.407 1.260 20 0 BDADRP COCC[N@H+](CC(C)(C)[NH3+])[C@@H]1CC[C@H](C)C1 ZINC000262014928 135273133 /nfs/dbraw/zinc/27/31/33/135273133.db2.gz VPEMEUILPKLQSC-NWDGAFQWSA-N 2 0 228.380 1.861 20 0 BDADRP CC(C)[NH2+]C1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262027001 135273610 /nfs/dbraw/zinc/27/36/10/135273610.db2.gz NRKXQHOJGXTANG-AWEZNQCLSA-N 3 0 239.407 1.448 20 0 BDADRP CC[N@@H+]1CC[C@H](N(C)CC(C)(C)[NH3+])C[C@@H]1C ZINC000262041771 135274856 /nfs/dbraw/zinc/27/48/56/135274856.db2.gz YJEXNTXNNPFRGM-RYUDHWBXSA-N 2 0 227.396 1.528 20 0 BDADRP C[C@@]1(CN(CC[NH3+])Cc2ccccc2)CC[NH2+]C1 ZINC000262115836 135279922 /nfs/dbraw/zinc/27/99/22/135279922.db2.gz WXUFSSDJCKILGA-OAHLLOKOSA-N 2 0 247.386 1.447 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCOCC(F)F)C1 ZINC000262129493 135280375 /nfs/dbraw/zinc/28/03/75/135280375.db2.gz NTRIIWMJRVOCAS-VHSXEESVSA-N 2 0 236.306 1.327 20 0 BDADRP c1ccc2c(c1)C[NH2+]CCN2CC1CC[NH2+]CC1 ZINC000262213544 135290916 /nfs/dbraw/zinc/29/09/16/135290916.db2.gz LWKYUMPZSHDPKU-UHFFFAOYSA-N 2 0 245.370 1.596 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000262408697 135295614 /nfs/dbraw/zinc/29/56/14/135295614.db2.gz CJRUYJVGTDAJQU-STQMWFEESA-N 2 0 249.358 1.320 20 0 BDADRP C[NH+](C)CC1(CNC2=[NH+]CCCN2)CCCC1 ZINC000262394826 135298994 /nfs/dbraw/zinc/29/89/94/135298994.db2.gz SNSSAHVWNDXJQU-UHFFFAOYSA-N 2 0 238.379 1.047 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000262600507 135307662 /nfs/dbraw/zinc/30/76/62/135307662.db2.gz OLKVWBDHKMEMAI-QJPTWQEYSA-N 2 0 241.379 1.138 20 0 BDADRP C[C@H]([NH3+])CCNC(=O)CC1(C[NH3+])CCCCC1 ZINC000262641414 135309927 /nfs/dbraw/zinc/30/99/27/135309927.db2.gz HLKVDEQBCQJMOH-NSHDSACASA-N 2 0 241.379 1.139 20 0 BDADRP C[C@@H]([NH3+])CCNC(=O)CC1(C[NH3+])CCCCC1 ZINC000262641406 135310197 /nfs/dbraw/zinc/31/01/97/135310197.db2.gz HLKVDEQBCQJMOH-LLVKDONJSA-N 2 0 241.379 1.139 20 0 BDADRP CCC1CC([NH2+]C[C@H]2CCCN2CCOC)C1 ZINC000342743244 135310566 /nfs/dbraw/zinc/31/05/66/135310566.db2.gz ZEOXVSYPEVDXIP-JXQTWKCFSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)CCCCCC[NH3+] ZINC000262698006 135314362 /nfs/dbraw/zinc/31/43/62/135314362.db2.gz AEFLDIMOWPKAAC-NWDGAFQWSA-N 2 0 241.379 1.104 20 0 BDADRP NC(=[NH2+])NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000262790090 135318367 /nfs/dbraw/zinc/31/83/67/135318367.db2.gz KKZFOIIRNXRUMJ-NSHDSACASA-N 2 0 224.352 1.267 20 0 BDADRP Cc1cccc(NC[C@H]2CCN(CC[NH3+])C2)[nH+]1 ZINC000263000810 135326657 /nfs/dbraw/zinc/32/66/57/135326657.db2.gz OSCQIVILKNYFAW-GFCCVEGCSA-N 2 0 234.347 1.083 20 0 BDADRP C[C@H]1COCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000334370662 135375198 /nfs/dbraw/zinc/37/51/98/135375198.db2.gz PANMSGXEJFWNRP-KGLIPLIRSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@H](C[NH2+]Cc1cc[nH]c1)C[NH+]1CCCC1 ZINC000080774056 135384944 /nfs/dbraw/zinc/38/49/44/135384944.db2.gz GVTKVOCWUIQCKD-GFCCVEGCSA-N 2 0 221.348 1.836 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1NCCC[NH+]1CCCCC1 ZINC000089147735 135531427 /nfs/dbraw/zinc/53/14/27/135531427.db2.gz IPFOZEKAYJUQQA-KBPBESRZSA-N 2 0 239.407 1.579 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCSC1 ZINC000231347888 135596718 /nfs/dbraw/zinc/59/67/18/135596718.db2.gz ZDILWBHXJZHVMM-IVZWLZJFSA-N 2 0 200.351 1.209 20 0 BDADRP CCC[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000334968184 135853422 /nfs/dbraw/zinc/85/34/22/135853422.db2.gz LWBJKXZIGFARQD-STQMWFEESA-N 2 0 226.364 1.615 20 0 BDADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000335171195 135929221 /nfs/dbraw/zinc/92/92/21/135929221.db2.gz XKYFGXRNSFMMJI-YPMHNXCESA-N 2 0 248.374 1.529 20 0 BDADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCC[NH+](C)C ZINC000346820786 135974990 /nfs/dbraw/zinc/97/49/90/135974990.db2.gz LDWDHVNBVOHYNX-NSHDSACASA-N 2 0 243.395 1.221 20 0 BDADRP C[NH+](C)C1CCC([NH2+]CC2=CCCOC2)CC1 ZINC000348206945 136054775 /nfs/dbraw/zinc/05/47/75/136054775.db2.gz NENKSQJTNZNGJJ-UHFFFAOYSA-N 2 0 238.375 1.796 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)C(C)C)[C@H](C)C1 ZINC000348270738 136058709 /nfs/dbraw/zinc/05/87/09/136058709.db2.gz HTOZOMDPEONFDZ-MCIONIFRSA-N 2 0 242.407 1.571 20 0 BDADRP C[C@H](C[NH+](C)C)NC1CC[NH+](C(C)(C)C)CC1 ZINC000348296892 136062835 /nfs/dbraw/zinc/06/28/35/136062835.db2.gz XXGKSKWXSXFSMO-GFCCVEGCSA-N 2 0 241.423 1.789 20 0 BDADRP Cn1cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cn1 ZINC000335372281 136084160 /nfs/dbraw/zinc/08/41/60/136084160.db2.gz QEVIWASSZVEWTL-AWEZNQCLSA-N 2 0 248.374 1.242 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[NH2+][C@H](C)C2)cc1 ZINC000335386063 136088919 /nfs/dbraw/zinc/08/89/19/136088919.db2.gz JBJFOKMSOPVMBR-GHMZBOCLSA-N 2 0 247.342 1.140 20 0 BDADRP Fc1cccc2c1CC[C@@H]2[NH2+]CC1C[NH2+]C1 ZINC000335552986 136098772 /nfs/dbraw/zinc/09/87/72/136098772.db2.gz QZZFRZRFHXENBJ-ZDUSSCGKSA-N 2 0 220.291 1.622 20 0 BDADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CC1C[NH2+]C1 ZINC000335553438 136098828 /nfs/dbraw/zinc/09/88/28/136098828.db2.gz WDPYKAVBMPBSKL-QMTHXVAHSA-N 2 0 216.328 1.729 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@@H]3CCCO3)C2)C1 ZINC000335569827 136109454 /nfs/dbraw/zinc/10/94/54/136109454.db2.gz ICJJXQLFWXAKCP-QWHCGFSZSA-N 2 0 224.348 1.193 20 0 BDADRP CC(C)([NH3+])CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000335598727 136113927 /nfs/dbraw/zinc/11/39/27/136113927.db2.gz LYWKHQHNJRTSMT-VXGBXAGGSA-N 2 0 219.332 1.458 20 0 BDADRP CC(C)([NH3+])CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000335598722 136114035 /nfs/dbraw/zinc/11/40/35/136114035.db2.gz LYWKHQHNJRTSMT-NEPJUHHUSA-N 2 0 219.332 1.458 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCOCc1ccccc1 ZINC000405237794 397750861 /nfs/dbraw/zinc/75/08/61/397750861.db2.gz URADVVMSVBHESR-ZIAGYGMSSA-N 2 0 248.370 1.919 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCNCC2(C)C)CC[NH2+]1 ZINC000647500458 397759146 /nfs/dbraw/zinc/75/91/46/397759146.db2.gz REZZGEPYLHOBCZ-VXGBXAGGSA-N 2 0 225.380 1.058 20 0 BDADRP CC(C)OCC[NH+]1CCC(C)([NH3+])CC1 ZINC000380235965 397860806 /nfs/dbraw/zinc/86/08/06/397860806.db2.gz MKBZVMUVFVXWFI-UHFFFAOYSA-N 2 0 200.326 1.225 20 0 BDADRP c1cc(C[NH+]2CCC(n3ccnc3)CC2)on1 ZINC000264689491 397923512 /nfs/dbraw/zinc/92/35/12/397923512.db2.gz GTKGRKBDFOHXQT-UHFFFAOYSA-N 2 0 232.287 1.708 20 0 BDADRP CCc1nc(C)c(CN2CC[C@H]([NH3+])C[C@H]2C)o1 ZINC000383054095 397995600 /nfs/dbraw/zinc/99/56/00/397995600.db2.gz LSIIBBCNLVQMDH-KOLCDFICSA-N 2 0 237.347 1.857 20 0 BDADRP C[C@H](C[NH2+][C@H]1CCO[C@@H]1C)C[NH+]1CCCC1 ZINC000120312191 397995972 /nfs/dbraw/zinc/99/59/72/397995972.db2.gz YLYPPTXFQGVXON-UPJWGTAASA-N 2 0 226.364 1.485 20 0 BDADRP CC[NH2+]CC1CC[NH+](CCc2cn[nH]c2)CC1 ZINC000383856910 398045952 /nfs/dbraw/zinc/04/59/52/398045952.db2.gz YELBVVKYCDIXLQ-UHFFFAOYSA-N 2 0 236.363 1.274 20 0 BDADRP CC[NH+](CC)CCNC(=[NH2+])N1CCC(C)CC1 ZINC000303256180 398009236 /nfs/dbraw/zinc/00/92/36/398009236.db2.gz HKJUBIVWQYXMOO-UHFFFAOYSA-N 2 0 240.395 1.584 20 0 BDADRP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000303300845 398012557 /nfs/dbraw/zinc/01/25/57/398012557.db2.gz PWFUTHCACVEBLR-LBPRGKRZSA-N 2 0 228.380 1.419 20 0 BDADRP [NH3+]CCC[NH+]1CCC(OC2CCCC2)CC1 ZINC000414690048 398019376 /nfs/dbraw/zinc/01/93/76/398019376.db2.gz HLIULESXTVPJKT-UHFFFAOYSA-N 2 0 226.364 1.759 20 0 BDADRP CC[C@@H]1C[N@H+](Cc2cccc(N)c2)CC[C@@H]1[NH3+] ZINC000647934805 398034314 /nfs/dbraw/zinc/03/43/14/398034314.db2.gz REJIQZRGBQEURW-OCCSQVGLSA-N 2 0 233.359 1.828 20 0 BDADRP CN(CC[C@H]1CCCC[N@@H+]1C)C[C@H]1CC[NH2+]C1 ZINC000382753126 397971920 /nfs/dbraw/zinc/97/19/20/397971920.db2.gz IYBGZFSBZMPRGT-UONOGXRCSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@@H](CC1CCOCC1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414857831 398066065 /nfs/dbraw/zinc/06/60/65/398066065.db2.gz QHMDMVWCYQYPRN-JSGCOSHPSA-N 2 0 240.391 1.781 20 0 BDADRP CC[N@@H+]1CC[C@H](N[C@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000414860253 398067102 /nfs/dbraw/zinc/06/71/02/398067102.db2.gz CFXRFLQTAJEATB-AGIUHOORSA-N 2 0 225.380 1.058 20 0 BDADRP CCC[C@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186568038 398093119 /nfs/dbraw/zinc/09/31/19/398093119.db2.gz LQNGKOUKBVIKIK-KBPBESRZSA-N 2 0 241.423 1.791 20 0 BDADRP C[C@H](CNC(=O)c1ccc2c[nH+]cn2c1)[NH+](C)C ZINC000284131111 398077318 /nfs/dbraw/zinc/07/73/18/398077318.db2.gz UUHXLAQOWCVLFN-SNVBAGLBSA-N 2 0 246.314 1.014 20 0 BDADRP CCCC[NH+]1CCC([NH2+][C@@H](C)[C@@H](C)O)CC1 ZINC000564857893 398077315 /nfs/dbraw/zinc/07/73/15/398077315.db2.gz ZTNNJUFWJTYKMX-NWDGAFQWSA-N 2 0 228.380 1.610 20 0 BDADRP C[C@@H](Cn1cccn1)[NH2+]CC1CC[NH+](C)CC1 ZINC000054242675 398101265 /nfs/dbraw/zinc/10/12/65/398101265.db2.gz DPVFFHHLFHEZIS-LBPRGKRZSA-N 2 0 236.363 1.203 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000384711460 398103550 /nfs/dbraw/zinc/10/35/50/398103550.db2.gz GKZAHRRNLAQORW-RXGFPQBGSA-N 2 0 226.364 1.673 20 0 BDADRP C[C@H](CC[NH+](C)C)N[C@H](C)[C@H]1CCC[NH2+]1 ZINC000400515811 398119090 /nfs/dbraw/zinc/11/90/90/398119090.db2.gz MYVDPHLNIOTCHM-IJLUTSLNSA-N 2 0 213.369 1.057 20 0 BDADRP C1CC1[N@@H+]1CC[C@@H](NC2CC[NH+](C3CC3)CC2)C1 ZINC000061982824 398110726 /nfs/dbraw/zinc/11/07/26/398110726.db2.gz RVLGLGGEIQGMTE-CYBMUJFWSA-N 2 0 249.402 1.440 20 0 BDADRP CCO[C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000250483473 487528889 /nfs/dbraw/zinc/52/88/89/487528889.db2.gz GJRWQSGRFXYQMH-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H](CCCCO)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000666172095 487572364 /nfs/dbraw/zinc/57/23/64/487572364.db2.gz ALVOURHWLWVCEM-UONOGXRCSA-N 2 0 242.407 1.859 20 0 BDADRP CC(C)OCCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357087773 167216494 /nfs/dbraw/zinc/21/64/94/167216494.db2.gz WZKDLTYEHXYFCV-CHWSQXEVSA-N 2 0 226.364 1.343 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000393734084 487578995 /nfs/dbraw/zinc/57/89/95/487578995.db2.gz ADGDNNDJXJZZFX-JHJVBQTASA-N 2 0 228.380 1.275 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)CS1 ZINC000086935666 487593204 /nfs/dbraw/zinc/59/32/04/487593204.db2.gz QALNUVGOHTWSRJ-WOPDTQHZSA-N 2 0 228.405 1.812 20 0 BDADRP CC(C)[NH2+]CC[C@@H]([NH3+])Cc1ccccc1 ZINC000145060766 487603403 /nfs/dbraw/zinc/60/34/03/487603403.db2.gz WEKZNHIQKNXXOV-CYBMUJFWSA-N 2 0 206.333 1.945 20 0 BDADRP Cc1ccncc1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000162657351 487607918 /nfs/dbraw/zinc/60/79/18/487607918.db2.gz YGJNSJNUMYWQSO-JSGCOSHPSA-N 2 0 233.359 1.997 20 0 BDADRP CCc1nocc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000662265861 409563474 /nfs/dbraw/zinc/56/34/74/409563474.db2.gz JGGAWVQUMNDPHF-UHTWSYAYSA-N 2 0 249.358 1.796 20 0 BDADRP C[NH2+][C@H]1CCN(C[C@@H](OC)C2CCC2)C1 ZINC000662241050 409528090 /nfs/dbraw/zinc/52/80/90/409528090.db2.gz QGNASPOHFVFIRA-NWDGAFQWSA-N 2 0 212.337 1.095 20 0 BDADRP CO[C@H](CN1CC[C@@H]([NH3+])C1)C1CCCC1 ZINC000662241292 409528472 /nfs/dbraw/zinc/52/84/72/409528472.db2.gz RWBFLFXFSZKLJF-VXGBXAGGSA-N 2 0 212.337 1.225 20 0 BDADRP C[C@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C[C@H]1C ZINC000662253588 409550755 /nfs/dbraw/zinc/55/07/55/409550755.db2.gz ANXOVWXQOTXFRC-GRYCIOLGSA-N 2 0 224.348 1.095 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCO[C@@H]1CC1(F)F ZINC000662276547 409590292 /nfs/dbraw/zinc/59/02/92/409590292.db2.gz KHKVJLARXLQVKN-NXEZZACHSA-N 2 0 248.317 1.388 20 0 BDADRP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662284591 409614691 /nfs/dbraw/zinc/61/46/91/409614691.db2.gz ZFCQVIGAKACTFY-AGIUHOORSA-N 2 0 238.375 1.676 20 0 BDADRP CC[N@H+](CCOC)[C@H]1CCC[NH2+]CC1 ZINC000082666825 409849342 /nfs/dbraw/zinc/84/93/42/409849342.db2.gz IKIRWODBPLOELL-NSHDSACASA-N 2 0 200.326 1.097 20 0 BDADRP COc1cc(C)nc(CN2CC[C@H]([NH3+])C[C@@H]2C)c1 ZINC000214068498 409794180 /nfs/dbraw/zinc/79/41/80/409794180.db2.gz DIEGNJCHXUMNGW-RYUDHWBXSA-N 2 0 249.358 1.710 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)c2ccccc21 ZINC000566087934 410065845 /nfs/dbraw/zinc/06/58/45/410065845.db2.gz FRSLKCFUAIEYGQ-KCPJHIHWSA-N 3 0 245.370 1.720 20 0 BDADRP C[NH2+]Cc1ccccc1CNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000653213989 410166145 /nfs/dbraw/zinc/16/61/45/410166145.db2.gz BKMFCPXEQXQTER-GHMZBOCLSA-N 2 0 249.358 1.006 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C)C1 ZINC000309018454 410197654 /nfs/dbraw/zinc/19/76/54/410197654.db2.gz SCIREEXXSBUPKF-NWDGAFQWSA-N 2 0 214.353 1.029 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000650712069 410342324 /nfs/dbraw/zinc/34/23/24/410342324.db2.gz PRKKWRHGJDKTMO-HZSPNIEDSA-N 2 0 241.423 1.809 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1cncn1C ZINC000650719084 410355558 /nfs/dbraw/zinc/35/55/58/410355558.db2.gz CMYPGAIJDGFYBB-UHFFFAOYSA-N 2 0 244.342 1.429 20 0 BDADRP Cc1n[nH]cc1C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000650711543 410343079 /nfs/dbraw/zinc/34/30/79/410343079.db2.gz WPTIVBZEYCZTLC-ZWNOBZJWSA-N 2 0 236.363 1.667 20 0 BDADRP [NH3+]CC1(CC[NH2+]Cc2cccc3c2NCC3)CC1 ZINC000650713422 410344988 /nfs/dbraw/zinc/34/49/88/410344988.db2.gz SADUDJSHKWCVLI-UHFFFAOYSA-N 2 0 245.370 1.873 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCC2(C[NH3+])CC2)[C@H](C)C1 ZINC000650714314 410347860 /nfs/dbraw/zinc/34/78/60/410347860.db2.gz YMUXLSHHABIKBK-CHWSQXEVSA-N 3 0 239.407 1.435 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+][C@@H]1CNc2ccccc2C1 ZINC000650715328 410350573 /nfs/dbraw/zinc/35/05/73/410350573.db2.gz YNJBZXPIHXYQPG-KBPBESRZSA-N 2 0 247.386 1.986 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1c[nH]nc1C ZINC000650718280 410356197 /nfs/dbraw/zinc/35/61/97/410356197.db2.gz FRXRKBFHQHZIFF-UHFFFAOYSA-N 2 0 244.342 1.727 20 0 BDADRP C[N@@H+]1CCN(CCC[NH3+])[C@H](Cc2ccccc2)C1 ZINC000650720524 410358428 /nfs/dbraw/zinc/35/84/28/410358428.db2.gz RUWNZOGNAOHECB-OAHLLOKOSA-N 2 0 247.386 1.194 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+]C[C@@H](C)COC ZINC000650720497 410358659 /nfs/dbraw/zinc/35/86/59/410358659.db2.gz RCPOOPLIXAZISB-GFCCVEGCSA-N 2 0 236.359 1.778 20 0 BDADRP CC[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccn(C)n1 ZINC000650747043 410384572 /nfs/dbraw/zinc/38/45/72/410384572.db2.gz PXUMHAPERINJKI-NSHDSACASA-N 2 0 236.363 1.590 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCC1(C[NH3+])CC1 ZINC000650747593 410388589 /nfs/dbraw/zinc/38/85/89/410388589.db2.gz DADIYJLOPFJMJA-LLVKDONJSA-N 3 0 213.369 1.223 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000650757903 410403889 /nfs/dbraw/zinc/40/38/89/410403889.db2.gz DOJSBXHDHDENJV-SWLSCSKDSA-N 2 0 248.370 1.921 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000650757904 410405592 /nfs/dbraw/zinc/40/55/92/410405592.db2.gz DOJSBXHDHDENJV-WFASDCNBSA-N 2 0 248.370 1.921 20 0 BDADRP C[C@H](COCC1CC1)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000650761319 410408705 /nfs/dbraw/zinc/40/87/05/410408705.db2.gz XLUVTHMQOLXDLD-GARJFASQSA-N 2 0 214.353 1.517 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCC1CC[NH2+]CC1 ZINC000650761488 410409868 /nfs/dbraw/zinc/40/98/68/410409868.db2.gz AHJSEQNVVPCSDS-GFCCVEGCSA-N 3 0 227.396 1.483 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650762222 410412152 /nfs/dbraw/zinc/41/21/52/410412152.db2.gz XJKQLFARIPRQSB-OLZOCXBDSA-N 3 0 225.380 1.093 20 0 BDADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1nccn1C ZINC000650763309 410414469 /nfs/dbraw/zinc/41/44/69/410414469.db2.gz XLJUDOCMEXIJPY-NSHDSACASA-N 2 0 236.363 1.460 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)CC[NH2+]1 ZINC000653279858 410632523 /nfs/dbraw/zinc/63/25/23/410632523.db2.gz BQQMLXJAAUAUGX-YVECIDJPSA-N 3 0 225.380 1.186 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCS[C@H]1C ZINC000308505729 410718941 /nfs/dbraw/zinc/71/89/41/410718941.db2.gz DYTDBLFLDQFQMZ-OUAUKWLOSA-N 2 0 216.394 1.988 20 0 BDADRP COCCC[C@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC000665249714 410731812 /nfs/dbraw/zinc/73/18/12/410731812.db2.gz XLESRPJAPBDTLQ-NSHDSACASA-N 2 0 214.353 1.663 20 0 BDADRP [NH3+]Cc1cc(=O)[nH]c(C[NH2+]C2CCCCC2)n1 ZINC000665289857 410778793 /nfs/dbraw/zinc/77/87/93/410778793.db2.gz YXXBVZHBEXZVRI-UHFFFAOYSA-N 2 0 236.319 1.063 20 0 BDADRP Cc1cc(N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc[nH+]1 ZINC000383396426 487618603 /nfs/dbraw/zinc/61/86/03/487618603.db2.gz ALONQURSCPDWPS-JSGCOSHPSA-N 2 0 231.343 1.955 20 0 BDADRP C[C@@H]1CCCC[C@@H]1CN1CCN(C)C[C@H]1C[NH3+] ZINC000394865972 410829902 /nfs/dbraw/zinc/82/99/02/410829902.db2.gz UGSVVBXYDHBKHT-MGPQQGTHSA-N 2 0 239.407 1.387 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)C1CC[NH+](C)CC1 ZINC000396440751 410881537 /nfs/dbraw/zinc/88/15/37/410881537.db2.gz LECIOBSYTKGEGB-UBHSHLNASA-N 3 0 239.407 1.576 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)C1CC[NH+](C)CC1 ZINC000396440251 410881562 /nfs/dbraw/zinc/88/15/62/410881562.db2.gz KSBROIRIANALCA-LBPRGKRZSA-N 3 0 239.407 1.306 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000396454698 410882626 /nfs/dbraw/zinc/88/26/26/410882626.db2.gz XPUJBRGSQCXNBC-CHWSQXEVSA-N 3 0 239.407 1.306 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](NC2CC[NH+](C)CC2)C1 ZINC000045651286 167025595 /nfs/dbraw/zinc/02/55/95/167025595.db2.gz DSQFLQXUYZEWRE-ZDUSSCGKSA-N 2 0 225.380 1.153 20 0 BDADRP CC(C)[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000360928406 167030132 /nfs/dbraw/zinc/03/01/32/167030132.db2.gz UBACTOHFIHUTLQ-RWMBFGLXSA-N 2 0 208.349 1.811 20 0 BDADRP CC(C)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000336468294 167095734 /nfs/dbraw/zinc/09/57/34/167095734.db2.gz PBUAVJSMHSELOY-STQMWFEESA-N 2 0 226.364 1.362 20 0 BDADRP CC(C)OCCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342088829 167214892 /nfs/dbraw/zinc/21/48/92/167214892.db2.gz AQVODVWQMOYNSS-MELADBBJSA-N 2 0 240.391 1.861 20 0 BDADRP CC(C)OCC[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000049259811 167231461 /nfs/dbraw/zinc/23/14/61/167231461.db2.gz GBFSSSDUCVTQMJ-LLVKDONJSA-N 2 0 200.326 1.082 20 0 BDADRP CC(C)OC[C@@H](C)[NH2+]C[C@@H]1CCCN1C ZINC000336766935 167255613 /nfs/dbraw/zinc/25/56/13/167255613.db2.gz SOUICABKRJVCMS-NEPJUHHUSA-N 2 0 214.353 1.484 20 0 BDADRP CC[NH+](CC)Cc1cccc(CNC(N)=[NH2+])c1 ZINC000263979423 169791447 /nfs/dbraw/zinc/79/14/47/169791447.db2.gz QQVJKIUTUYXJAI-UHFFFAOYSA-N 2 0 234.347 1.511 20 0 BDADRP C[N@H+](CCCC1CC[NH2+]CC1)C[C@H]1CCOC1 ZINC000398936572 410998799 /nfs/dbraw/zinc/99/87/99/410998799.db2.gz HTCBRGAWHAUCJN-CQSZACIVSA-N 2 0 240.391 1.735 20 0 BDADRP CCn1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000400915470 411163463 /nfs/dbraw/zinc/16/34/63/411163463.db2.gz CIXKUFXQPQYCLZ-MELADBBJSA-N 2 0 248.374 1.381 20 0 BDADRP CN(CCC[NH2+]C1CCCCC1)CC[NH+](C)C ZINC000111150725 411139151 /nfs/dbraw/zinc/13/91/51/411139151.db2.gz FRWZXBNMSYDKKO-UHFFFAOYSA-N 2 0 241.423 1.792 20 0 BDADRP CC(C)C[N@H+](C)CCCNC1CC[NH+](C)CC1 ZINC000651865932 411147660 /nfs/dbraw/zinc/14/76/60/411147660.db2.gz NJHOGGIHUKVTBW-UHFFFAOYSA-N 2 0 241.423 1.648 20 0 BDADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC[C@H]1CCOC1)C2 ZINC000400634474 411157275 /nfs/dbraw/zinc/15/72/75/411157275.db2.gz QAOSFZNXXSHTJB-IHRRRGAJSA-N 2 0 238.375 1.474 20 0 BDADRP C[C@H]1[C@@H]([NH3+])CCN1CCc1noc2ccccc21 ZINC000655940993 411160450 /nfs/dbraw/zinc/16/04/50/411160450.db2.gz KALJTOHCIOPJDD-JQWIXIFHSA-N 2 0 245.326 1.792 20 0 BDADRP Cc1ccc(CN[C@@H]2[C@H](C)CC[NH2+][C@H]2C)cn1 ZINC000655940388 411160527 /nfs/dbraw/zinc/16/05/27/411160527.db2.gz ADXOLCQBVKAHGF-SCDSUCTJSA-N 2 0 233.359 1.866 20 0 BDADRP CC[NH+](CC)CCC[NH+]1C[C@H](C)C(O)[C@@H](C)C1 ZINC000661626294 411092705 /nfs/dbraw/zinc/09/27/05/411092705.db2.gz NWZIVPBIDVSJFB-STQMWFEESA-N 2 0 242.407 1.667 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)[NH3+])C1(C)C ZINC000300392690 411120914 /nfs/dbraw/zinc/12/09/14/411120914.db2.gz VUULUWLACQZUCG-LPEHRKFASA-N 2 0 200.326 1.127 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C(C)(C)O ZINC000401002696 411168254 /nfs/dbraw/zinc/16/82/54/411168254.db2.gz ACLHPTRLSZXFQF-RVMXOQNASA-N 2 0 240.391 1.514 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCCC[C@@H]1CO ZINC000653783942 411170569 /nfs/dbraw/zinc/17/05/69/411170569.db2.gz YTZKUOPWVFZKQD-ZIAGYGMSSA-N 2 0 240.391 1.708 20 0 BDADRP c1cc(N2CC[NH2+]CC2)cc(NC2CCCC2)[nH+]1 ZINC000116600096 411173517 /nfs/dbraw/zinc/17/35/17/411173517.db2.gz PLCYKYHRGPJQEW-UHFFFAOYSA-N 2 0 246.358 1.846 20 0 BDADRP C1=C(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCOC1 ZINC000401026715 411173541 /nfs/dbraw/zinc/17/35/41/411173541.db2.gz JRNXEVPYXYFAFV-MELADBBJSA-N 2 0 236.359 1.311 20 0 BDADRP C1CC1N1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000401048372 411174287 /nfs/dbraw/zinc/17/42/87/411174287.db2.gz XBUAXGWCIGISCP-RQJABVFESA-N 2 0 249.402 1.201 20 0 BDADRP Cc1c(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cnn1C ZINC000401040280 411174518 /nfs/dbraw/zinc/17/45/18/411174518.db2.gz TVCOBYIYUHYCPC-SGMGOOAPSA-N 2 0 248.374 1.206 20 0 BDADRP C(COCC1CC1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401113191 411176343 /nfs/dbraw/zinc/17/63/43/411176343.db2.gz HEIFZVPGRFOWQQ-MGPQQGTHSA-N 2 0 238.375 1.391 20 0 BDADRP FCCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401152644 411177729 /nfs/dbraw/zinc/17/77/29/411177729.db2.gz QBUDOPQDJNTQCN-SDDRHHMPSA-N 2 0 214.328 1.714 20 0 BDADRP C[C@H](CCO)CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401149329 411178045 /nfs/dbraw/zinc/17/80/45/411178045.db2.gz PAJNJGRZFDFGPH-RFQIPJPRSA-N 2 0 240.391 1.373 20 0 BDADRP CC(C)O[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000404663528 411183841 /nfs/dbraw/zinc/18/38/41/411183841.db2.gz XQGSTSLFJQFVRQ-AWEZNQCLSA-N 2 0 240.391 1.875 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C2CC2)CC1 ZINC000653694427 411185582 /nfs/dbraw/zinc/18/55/82/411185582.db2.gz DTJUBMBJKGMTOB-CQSZACIVSA-N 2 0 240.391 1.421 20 0 BDADRP CCN(C)C[C@@H](O)C[N@@H+]1CC(C)(C)[C@@H]1C(C)C ZINC000656152501 411186642 /nfs/dbraw/zinc/18/66/42/411186642.db2.gz KSDCTAQOSKQVPW-OLZOCXBDSA-N 2 0 242.407 1.665 20 0 BDADRP C[C@H]1CC[C@H]([NH2+]CCOCC[NH+](C)C)CS1 ZINC000655757574 411189227 /nfs/dbraw/zinc/18/92/27/411189227.db2.gz JDYQIVASUCLTBL-RYUDHWBXSA-N 2 0 246.420 1.438 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000656192622 411198447 /nfs/dbraw/zinc/19/84/47/411198447.db2.gz MCCCPNQIFGCSFY-UCEQBCCISA-N 2 0 223.364 1.129 20 0 BDADRP C[C@@H](C[NH2+][C@@H]1COC2(CCC2)C1)C[NH+](C)C ZINC000658019207 411199964 /nfs/dbraw/zinc/19/99/64/411199964.db2.gz WAHDMXJENSNGDB-RYUDHWBXSA-N 2 0 226.364 1.485 20 0 BDADRP COC[C@@H](CC(C)(C)C)[NH2+]C1CC[NH2+]CC1 ZINC000656193315 411200508 /nfs/dbraw/zinc/20/05/08/411200508.db2.gz GBELYIAEFFGQGU-GFCCVEGCSA-N 2 0 228.380 1.779 20 0 BDADRP C[C@H](Cc1ccccn1)[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000656193344 411200762 /nfs/dbraw/zinc/20/07/62/411200762.db2.gz HIKUJKPJEYSSQQ-MGPQQGTHSA-N 2 0 247.386 1.990 20 0 BDADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c(=O)n1C ZINC000656198728 411202762 /nfs/dbraw/zinc/20/27/62/411202762.db2.gz FPSHJRPDLSZAOF-QWHCGFSZSA-N 2 0 249.358 1.053 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000656198620 411203118 /nfs/dbraw/zinc/20/31/18/411203118.db2.gz AFTRIPVQOWEOOZ-JHJVBQTASA-N 2 0 227.396 1.576 20 0 BDADRP COCC1(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000656199946 411204164 /nfs/dbraw/zinc/20/41/64/411204164.db2.gz GYTGKKHCDSMHPF-MNOVXSKESA-N 2 0 212.337 1.130 20 0 BDADRP C[C@@H](N[C@@H](C)Cc1ccccn1)[C@@H]1CCC[NH2+]1 ZINC000656201236 411206148 /nfs/dbraw/zinc/20/61/48/411206148.db2.gz LADZTLZSCVLJQC-SCRDCRAPSA-N 2 0 233.359 1.743 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCCC1CC1 ZINC000656200945 411206194 /nfs/dbraw/zinc/20/61/94/411206194.db2.gz ZOIYPIPPXWEQDX-WCFLWFBJSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@@H]1CCC[N@H+](Cc2ccnc(N)c2)[C@H]1CC[NH3+] ZINC000652355991 411214664 /nfs/dbraw/zinc/21/46/64/411214664.db2.gz ORGBXZSNNQZVMK-YPMHNXCESA-N 2 0 248.374 1.443 20 0 BDADRP COCC(C)(C)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000310222358 411225995 /nfs/dbraw/zinc/22/59/95/411225995.db2.gz XJASCYAJQYYHAC-LBPRGKRZSA-N 2 0 242.407 1.979 20 0 BDADRP COCC(C)(C)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000310222356 411226994 /nfs/dbraw/zinc/22/69/94/411226994.db2.gz XJASCYAJQYYHAC-GFCCVEGCSA-N 2 0 242.407 1.979 20 0 BDADRP CC[NH+]1CCC([NH2+]CCC2CC(OC)C2)CC1 ZINC000658064080 411229767 /nfs/dbraw/zinc/22/97/67/411229767.db2.gz YPJKDNLUQSQBMT-UHFFFAOYSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCN[C@H]1CCC[C@@H]1[NH3+] ZINC000422884849 411233187 /nfs/dbraw/zinc/23/31/87/411233187.db2.gz FVDZGMWWIFECDP-CRWXNKLISA-N 2 0 239.407 1.719 20 0 BDADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCN[C@@H]1CCC[C@@H]1[NH3+] ZINC000422884897 411233650 /nfs/dbraw/zinc/23/36/50/411233650.db2.gz FVDZGMWWIFECDP-RFQIPJPRSA-N 2 0 239.407 1.719 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCOCC1CC1 ZINC000422884288 411233976 /nfs/dbraw/zinc/23/39/76/411233976.db2.gz DTLKUBSWKNDSAK-DGCLKSJQSA-N 2 0 226.364 1.391 20 0 BDADRP CO[C@@H](C)CC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422903662 411234485 /nfs/dbraw/zinc/23/44/85/411234485.db2.gz OTJATMXLQFYESH-UNXYVOJBSA-N 2 0 214.353 1.519 20 0 BDADRP CC(C)[C@@H](C(=O)N(C)CC(C)(C)C[NH3+])[C@@H](C)[NH3+] ZINC000422905478 411234941 /nfs/dbraw/zinc/23/49/41/411234941.db2.gz ZDSTWYGTWTWSRB-GHMZBOCLSA-N 2 0 243.395 1.049 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)CCCc1cccnc1)C1C[NH2+]C1 ZINC000423173207 411236274 /nfs/dbraw/zinc/23/62/74/411236274.db2.gz XLJHKANPBTZJRC-QWHCGFSZSA-N 2 0 247.386 1.990 20 0 BDADRP C[C@@H]([NH2+][C@@H]1C[C@H]1c1ccco1)[C@H]1CC[NH2+]C1 ZINC000423173925 411237570 /nfs/dbraw/zinc/23/75/70/411237570.db2.gz AOVKHKHUQUBIHQ-WRWGMCAJSA-N 2 0 220.316 1.723 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400974538 411167287 /nfs/dbraw/zinc/16/72/87/411167287.db2.gz OJCPVLGQMKQPNC-HZSPNIEDSA-N 3 0 239.407 1.306 20 0 BDADRP CCCCC[N@H+](CCO)C[C@H]1CC[NH2+]C1 ZINC000309838532 411267692 /nfs/dbraw/zinc/26/76/92/411267692.db2.gz NAQRBEWVMMXZCZ-LBPRGKRZSA-N 2 0 214.353 1.080 20 0 BDADRP C[C@H]([NH2+][C@@H](C)C1(CO)CC1)C1CC[NH+](C)CC1 ZINC000658159796 411273105 /nfs/dbraw/zinc/27/31/05/411273105.db2.gz KWMFKRNNOOXEOG-RYUDHWBXSA-N 2 0 240.391 1.467 20 0 BDADRP CC[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1CCCOC1 ZINC000402608123 411273437 /nfs/dbraw/zinc/27/34/37/411273437.db2.gz VMLDCHLZLYVEEO-KBPBESRZSA-N 2 0 240.391 1.877 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)C1 ZINC000658161234 411273841 /nfs/dbraw/zinc/27/38/41/411273841.db2.gz JAHBVNPYXCGZLS-XUXIUFHCSA-N 2 0 240.391 1.874 20 0 BDADRP c1c(C[NH2+]C2CCCCC2)nnn1[C@@H]1CC[NH2+]C1 ZINC000656466213 411278002 /nfs/dbraw/zinc/27/80/02/411278002.db2.gz AFMZIPNVZQLBFM-CYBMUJFWSA-N 2 0 249.362 1.235 20 0 BDADRP CO[C@@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000658170238 411279828 /nfs/dbraw/zinc/27/98/28/411279828.db2.gz SXJQCWPLRJPNCF-WUHRBBMRSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@@H](CCNC(=[NH2+])N1CCC(C)CC1)[NH+](C)C ZINC000656508575 411288809 /nfs/dbraw/zinc/28/88/09/411288809.db2.gz OABCTCPTYUBXPQ-LBPRGKRZSA-N 2 0 240.395 1.583 20 0 BDADRP CC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCCC[C@@H]1CC ZINC000130523188 411357771 /nfs/dbraw/zinc/35/77/71/411357771.db2.gz JKKPCTSJCNICJL-NWDGAFQWSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@@H](C[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1)C(C)(C)C ZINC000304282618 411358281 /nfs/dbraw/zinc/35/82/81/411358281.db2.gz MLCOKDJPUDWUBO-SDDRHHMPSA-N 2 0 228.380 1.717 20 0 BDADRP Cc1cccnc1CN(C)CC(C)(C)[NH3+] ZINC000656784623 411361691 /nfs/dbraw/zinc/36/16/91/411361691.db2.gz FXOQLBDGXKZHSJ-UHFFFAOYSA-N 2 0 207.321 1.559 20 0 BDADRP CCOc1ccc(CN(C)CC(C)(C)[NH3+])nc1 ZINC000656784202 411361894 /nfs/dbraw/zinc/36/18/94/411361894.db2.gz ZQBZJSGVEZIROQ-UHFFFAOYSA-N 2 0 237.347 1.649 20 0 BDADRP CC[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)[C@@H](CC)CO1 ZINC000403877487 411363686 /nfs/dbraw/zinc/36/36/86/411363686.db2.gz SXXCHGRHIGQUGH-HZSPNIEDSA-N 2 0 240.391 1.875 20 0 BDADRP Nc1cccc(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000656786061 411364320 /nfs/dbraw/zinc/36/43/20/411364320.db2.gz UURBLRAEQJYUDX-CYBMUJFWSA-N 2 0 219.332 1.501 20 0 BDADRP Nc1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000656786047 411364350 /nfs/dbraw/zinc/36/43/50/411364350.db2.gz UKHJYKYCDZUVKX-GZBFAFLISA-N 2 0 245.370 1.747 20 0 BDADRP C[C@@]12COC[C@]1(C)C[N@@H+](C[C@@]1(C)CC[NH2+]C1)C2 ZINC000656787232 411365751 /nfs/dbraw/zinc/36/57/51/411365751.db2.gz HPVJNCCCVBEUMJ-MELADBBJSA-N 2 0 238.375 1.344 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+]CC1([NH3+])CCCC1 ZINC000656789335 411368744 /nfs/dbraw/zinc/36/87/44/411368744.db2.gz NEGWNHFGUMCRCX-LLVKDONJSA-N 2 0 222.336 1.133 20 0 BDADRP C[C@@H](c1ccncc1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000309436172 411383605 /nfs/dbraw/zinc/38/36/05/411383605.db2.gz MWQBFPHAKWZNMD-AAEUAGOBSA-N 2 0 219.332 1.813 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)CO1 ZINC000657308335 411457811 /nfs/dbraw/zinc/45/78/11/411457811.db2.gz ZLDKPKVDGYBSDE-YRGRVCCFSA-N 2 0 238.375 1.628 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]CCC[N@H+](C)CCOC)CO1 ZINC000657308054 411460302 /nfs/dbraw/zinc/46/03/02/411460302.db2.gz LUDYLLYRULUBLR-QWHCGFSZSA-N 2 0 244.379 1.112 20 0 BDADRP C[C@H]1CCC[N@H+](CCn2cccn2)[C@H]1CC[NH3+] ZINC000404384501 411392869 /nfs/dbraw/zinc/39/28/69/411392869.db2.gz NQLORVYCEKHICK-STQMWFEESA-N 2 0 236.363 1.332 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]C[C@H](C)C[NH+]2CCCC2)CO1 ZINC000657319213 411460865 /nfs/dbraw/zinc/46/08/65/411460865.db2.gz VMPAKQLEIYFMCQ-BFHYXJOUSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CO1 ZINC000657313685 411460902 /nfs/dbraw/zinc/46/09/02/411460902.db2.gz MPPYWACTQBQCJE-XJFOESAGSA-N 2 0 238.375 1.770 20 0 BDADRP CC(C)O[C@@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000404507349 411398739 /nfs/dbraw/zinc/39/87/39/411398739.db2.gz BOZBHRMZLISWGR-UONOGXRCSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)CC[N@H+](CCOCC[NH3+])C1CC1 ZINC000118906081 411406425 /nfs/dbraw/zinc/40/64/25/411406425.db2.gz QPBMPNUFHFRFRT-UHFFFAOYSA-N 2 0 214.353 1.472 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000070360483 411407966 /nfs/dbraw/zinc/40/79/66/411407966.db2.gz SRPGDTSUASHCSU-STQMWFEESA-N 2 0 240.391 1.875 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+]C2CSC2)C1 ZINC000657182666 411417291 /nfs/dbraw/zinc/41/72/91/411417291.db2.gz JHQKYSYMGCLYDW-SNVBAGLBSA-N 2 0 214.378 1.423 20 0 BDADRP CCC[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000653568606 411424536 /nfs/dbraw/zinc/42/45/36/411424536.db2.gz DVFSTWWPYWAKBO-ZIAGYGMSSA-N 2 0 242.407 1.811 20 0 BDADRP OCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000122340402 411426793 /nfs/dbraw/zinc/42/67/93/411426793.db2.gz FPQMGPQBOGQSKO-FRRDWIJNSA-N 2 0 238.375 1.269 20 0 BDADRP CC(C)C[C@H](C[NH3+])NC[C@@H]([NH3+])CC(C)C ZINC000414838329 411450422 /nfs/dbraw/zinc/45/04/22/411450422.db2.gz KIEAJNFUQLYPJD-NWDGAFQWSA-N 2 0 215.385 1.323 20 0 BDADRP CO[C@H](C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)C1CCCC1 ZINC000659850905 411476978 /nfs/dbraw/zinc/47/69/78/411476978.db2.gz WONXYAVVUSYQHF-MELADBBJSA-N 2 0 238.375 1.343 20 0 BDADRP CC[C@H](O)CCC[NH2+]Cc1cnc2n1CCC2 ZINC000657373914 411482444 /nfs/dbraw/zinc/48/24/44/411482444.db2.gz ATCUDDRNICXWBW-LBPRGKRZSA-N 2 0 237.347 1.470 20 0 BDADRP c1cc(C[NH2+][C@@H]2CCOC2)n(-c2cc[nH+]cc2)n1 ZINC000657414770 411498908 /nfs/dbraw/zinc/49/89/08/411498908.db2.gz BQVNPKSSDYDFGQ-LLVKDONJSA-N 2 0 244.298 1.146 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+]C2CC([NH+](C)C)C2)C1 ZINC000655792465 411515304 /nfs/dbraw/zinc/51/53/04/411515304.db2.gz ZKUPEWYDNQVYJE-IKWCTNDRSA-N 2 0 226.364 1.626 20 0 BDADRP Cc1nccnc1[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805183 411519656 /nfs/dbraw/zinc/51/96/56/411519656.db2.gz KEQLFIFJGBERFY-RWMBFGLXSA-N 2 0 248.374 1.776 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CC[N@@H+]1C ZINC000655805854 411520217 /nfs/dbraw/zinc/52/02/17/411520217.db2.gz MEEPJYPGVHKSKF-XDQVBPFNSA-N 3 0 239.407 1.399 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1CCOC1 ZINC000655805877 411520405 /nfs/dbraw/zinc/52/04/05/411520405.db2.gz MRRQPKFHFJPWSO-LPWJVIDDSA-N 2 0 226.364 1.341 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cnccn1 ZINC000655805715 411520430 /nfs/dbraw/zinc/52/04/30/411520430.db2.gz KLXDWCVSUJZOIE-SDDRHHMPSA-N 2 0 234.347 1.467 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1CCOC1 ZINC000655805879 411520546 /nfs/dbraw/zinc/52/05/46/411520546.db2.gz MRRQPKFHFJPWSO-WUHRBBMRSA-N 2 0 226.364 1.341 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCCOC2)C1 ZINC000655806529 411520683 /nfs/dbraw/zinc/52/06/83/411520683.db2.gz XWJNYQINSPXSKK-UTUOFQBUSA-N 2 0 212.337 1.095 20 0 BDADRP Cn1cnc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000660013778 411528436 /nfs/dbraw/zinc/52/84/36/411528436.db2.gz YSSQJEPCTDAJIB-JSGCOSHPSA-N 2 0 248.374 1.336 20 0 BDADRP Cc1n[nH]cc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655827029 411529855 /nfs/dbraw/zinc/52/98/55/411529855.db2.gz NPOLWZKMOAPCAO-KLPPZKSPSA-N 2 0 222.336 1.148 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)CO1 ZINC000657487416 411531203 /nfs/dbraw/zinc/53/12/03/411531203.db2.gz ARCYGIATJDCWPH-TZMCWYRMSA-N 2 0 245.326 1.991 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@H]2CCSC2)C1 ZINC000300230735 170007836 /nfs/dbraw/zinc/00/78/36/170007836.db2.gz CVJAHRYAGMZDNM-NWDGAFQWSA-N 2 0 228.405 1.671 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccccn2)[C@H](C)C1 ZINC000151403488 170011472 /nfs/dbraw/zinc/01/14/72/170011472.db2.gz MPLZFJZKKGQBPV-UKRRQHHQSA-N 2 0 247.386 1.944 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cn[nH]c2)C1 ZINC000296026765 170017434 /nfs/dbraw/zinc/01/74/34/170017434.db2.gz PUMRYLSZAVXWIK-WDEREUQCSA-N 2 0 222.336 1.402 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CCOC2)C[C@H]1C ZINC000336692757 170017630 /nfs/dbraw/zinc/01/76/30/170017630.db2.gz IRVYKIJNRODLQF-RDBSUJKOSA-N 2 0 240.391 1.828 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)CC[C@@H](C)O)[C@H](C)C1 ZINC000336660720 170019449 /nfs/dbraw/zinc/01/94/49/170019449.db2.gz BCFLPVYLMXLEKT-UPJWGTAASA-N 2 0 228.380 1.419 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)OC)C[C@H]1C ZINC000362183643 170019816 /nfs/dbraw/zinc/01/98/16/170019816.db2.gz PWANSSTZAJVPHL-NEPJUHHUSA-N 2 0 242.363 1.354 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CCC[C@H](C)O)[C@@H](C)C1 ZINC000309461596 170020224 /nfs/dbraw/zinc/02/02/24/170020224.db2.gz OBGCCFWPMVCBEQ-AVGNSLFASA-N 2 0 228.380 1.467 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccn(C)c2)[C@H](C)C1 ZINC000158489193 170020935 /nfs/dbraw/zinc/02/09/35/170020935.db2.gz BXEPHPINPPFYJL-OCCSQVGLSA-N 2 0 235.375 1.845 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)C[C@@H](C)O)[C@@H](C)C1 ZINC000305116939 170020961 /nfs/dbraw/zinc/02/09/61/170020961.db2.gz IFGHALHEVMYNLQ-RQJABVFESA-N 2 0 242.407 1.713 20 0 BDADRP CC[N@@H+]1CC[C@H](NC2CC[NH+](C(C)C)CC2)C1 ZINC000328515516 170021278 /nfs/dbraw/zinc/02/12/78/170021278.db2.gz PKKCOWCUNIGBDB-AWEZNQCLSA-N 2 0 239.407 1.543 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)C[C@H](C)O)[C@H](C)C1 ZINC000305116937 170021623 /nfs/dbraw/zinc/02/16/23/170021623.db2.gz IFGHALHEVMYNLQ-MQYQWHSLSA-N 2 0 242.407 1.713 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](C)C2)[C@@H](C)C1 ZINC000358293709 170022168 /nfs/dbraw/zinc/02/21/68/170022168.db2.gz AZPQPPCZAMTICD-DGAVXFQQSA-N 2 0 240.391 1.874 20 0 BDADRP CC[N@@H+]1C[C@@H](C)[C@@H](NCC[NH+](C)C(C)C)C1 ZINC000336674665 170029824 /nfs/dbraw/zinc/02/98/24/170029824.db2.gz AXDSBBBDLCYYMM-OLZOCXBDSA-N 2 0 227.396 1.256 20 0 BDADRP COC1CC(CC[NH2+][C@H]2CN(C)C[C@@H]2C)C1 ZINC000657528366 411541906 /nfs/dbraw/zinc/54/19/06/411541906.db2.gz YQVYUYXPJIIGLT-WTIISPKJSA-N 2 0 226.364 1.341 20 0 BDADRP CC[NH2+]CC1CC[NH+](Cc2cc(C)no2)CC1 ZINC000104410035 170111460 /nfs/dbraw/zinc/11/14/60/170111460.db2.gz OKMTVPJKKILEBU-UHFFFAOYSA-N 2 0 237.347 1.805 20 0 BDADRP CC[NH2+]Cc1cccc(NC(=O)CC[C@H](C)[NH3+])c1 ZINC000193170075 170128701 /nfs/dbraw/zinc/12/87/01/170128701.db2.gz SNCOVBSHSFZGAS-NSHDSACASA-N 2 0 249.358 1.862 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000657611181 411563098 /nfs/dbraw/zinc/56/30/98/411563098.db2.gz KSEZDVZKHZGETA-YIYPIFLZSA-N 2 0 238.375 1.770 20 0 BDADRP CC[C@@H](CO)[N@H+](C)CCCc1cncn1C ZINC000314000489 411571650 /nfs/dbraw/zinc/57/16/50/411571650.db2.gz MATYZWSBKYGLPD-NSHDSACASA-N 2 0 225.336 1.055 20 0 BDADRP CCOCC(C)(C)C[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000309654910 170352316 /nfs/dbraw/zinc/35/23/16/170352316.db2.gz PISUBAKFKCHBNU-RYUDHWBXSA-N 2 0 228.380 1.589 20 0 BDADRP CCOCCC[N@H+](C)CCC[NH+]1CCCC1 ZINC000337194168 170370315 /nfs/dbraw/zinc/37/03/15/170370315.db2.gz ACFWQQHMOZWLEF-UHFFFAOYSA-N 2 0 228.380 1.831 20 0 BDADRP CCOCC[N@H+](CC)C[C@H]1CCC[NH2+]C1 ZINC000082537228 170394135 /nfs/dbraw/zinc/39/41/35/170394135.db2.gz GYMPXIHELVCDSP-LBPRGKRZSA-N 2 0 214.353 1.344 20 0 BDADRP CCOCC[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000250408628 170399203 /nfs/dbraw/zinc/39/92/03/170399203.db2.gz UQTCOSXEPWFCFC-QWRGUYRKSA-N 2 0 200.326 1.082 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC(C)(C)C[C@@H]1C ZINC000660806023 411639557 /nfs/dbraw/zinc/63/95/57/411639557.db2.gz QUYNLMXMDKJSNY-QWHCGFSZSA-N 2 0 242.407 1.808 20 0 BDADRP CC[C@@H](O)C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000663374239 411640852 /nfs/dbraw/zinc/64/08/52/411640852.db2.gz IOPCALVEBWAADI-CQSZACIVSA-N 2 0 240.391 1.469 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000657875221 411614677 /nfs/dbraw/zinc/61/46/77/411614677.db2.gz BSXGDUJZVXAMHD-QWHCGFSZSA-N 2 0 238.375 1.629 20 0 BDADRP COCC[C@@H](C)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660657163 411615260 /nfs/dbraw/zinc/61/52/60/411615260.db2.gz OCFFLGQCTSENAS-KGLIPLIRSA-N 2 0 240.391 1.829 20 0 BDADRP CO[C@H](C)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660665121 411616175 /nfs/dbraw/zinc/61/61/75/411616175.db2.gz UMBIYJKXVPAACV-OLZOCXBDSA-N 2 0 226.364 1.439 20 0 BDADRP CC(C)C[NH2+]C1(CO)CC[NH+](CC2CC2)CC1 ZINC000660697069 411618264 /nfs/dbraw/zinc/61/82/64/411618264.db2.gz VIOSONDILLXCQI-UHFFFAOYSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@@H]([NH2+]CCOCCF)C1CC[NH+](C)CC1 ZINC000663462543 411665312 /nfs/dbraw/zinc/66/53/12/411665312.db2.gz DLIABVFYAONBCJ-LLVKDONJSA-N 2 0 232.343 1.292 20 0 BDADRP CCCN(C[C@]12C[C@H]1C[NH2+]C2)C1CC[NH2+]CC1 ZINC000663495187 411674290 /nfs/dbraw/zinc/67/42/90/411674290.db2.gz ODYFGCXZBZYECJ-GXTWGEPZSA-N 2 0 237.391 1.060 20 0 BDADRP C([NH2+]C1CCN(C[C@@]23C[C@@H]2C[NH2+]C3)CC1)C1CC1 ZINC000663495711 411677245 /nfs/dbraw/zinc/67/72/45/411677245.db2.gz PFFGVSRWOGLYDW-HIFRSBDPSA-N 2 0 249.402 1.060 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cccc(C(N)=O)c1 ZINC000663497725 411679278 /nfs/dbraw/zinc/67/92/78/411679278.db2.gz FIDIDCMWWIKVHC-CYBMUJFWSA-N 2 0 249.358 1.249 20 0 BDADRP CCc1nn(C)cc1C[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000663498349 411681094 /nfs/dbraw/zinc/68/10/94/411681094.db2.gz AVHUXNMBNJDLIR-GFCCVEGCSA-N 2 0 238.379 1.446 20 0 BDADRP CCn1nccc1C[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000663501065 411685336 /nfs/dbraw/zinc/68/53/36/411685336.db2.gz ZHCBQPKTOVFZFV-GFCCVEGCSA-N 2 0 224.352 1.366 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000663503286 411688457 /nfs/dbraw/zinc/68/84/57/411688457.db2.gz NHZKVQFABMDTBZ-AAVRWANBSA-N 3 0 239.407 1.338 20 0 BDADRP C[C@@H](CN1CCOC2(C[NH2+]C2)C1)c1ccccc1 ZINC000663508566 411689223 /nfs/dbraw/zinc/68/92/23/411689223.db2.gz DAVUTSXOHXLMBE-ZDUSSCGKSA-N 2 0 246.354 1.464 20 0 BDADRP Cc1ccsc1CN1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000663507483 411690408 /nfs/dbraw/zinc/69/04/08/411690408.db2.gz XMLJLBMEFYHZOD-NXEZZACHSA-N 2 0 228.336 1.928 20 0 BDADRP C[NH2+]C[C@H](C)N[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000663514213 411694776 /nfs/dbraw/zinc/69/47/76/411694776.db2.gz PAWGOIUTCXHKPH-AGIUHOORSA-N 2 0 227.396 1.495 20 0 BDADRP CCC(C)(C)[C@H](C)[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000661231411 411733826 /nfs/dbraw/zinc/73/38/26/411733826.db2.gz MMYQEDDOLROBRS-AAEUAGOBSA-N 2 0 242.407 1.856 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@H]([NH+](C)C)CC2)CCO1 ZINC000420915902 411767149 /nfs/dbraw/zinc/76/71/49/411767149.db2.gz GLMVOKLTTOCMLL-HZSPNIEDSA-N 2 0 240.391 1.970 20 0 BDADRP Cc1c[nH+]ccc1NCC[C@@H](C)[NH+](C)C ZINC000664245561 411897603 /nfs/dbraw/zinc/89/76/03/411897603.db2.gz PSRRPMMIPXZFNF-LLVKDONJSA-N 2 0 207.321 1.564 20 0 BDADRP CCCC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662153458 412008966 /nfs/dbraw/zinc/00/89/66/412008966.db2.gz BRSHFLIPFQKSNP-ZDUSSCGKSA-N 2 0 226.364 1.318 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000662236156 412035686 /nfs/dbraw/zinc/03/56/86/412035686.db2.gz DKAYXIFQNVHDSS-YIYPIFLZSA-N 2 0 222.376 1.964 20 0 BDADRP CO[C@@H](C[NH+]1CCC(C[NH3+])CC1)C1CCC1 ZINC000662235779 412035921 /nfs/dbraw/zinc/03/59/21/412035921.db2.gz SNILRUKISOWKMU-ZDUSSCGKSA-N 2 0 226.364 1.472 20 0 BDADRP Cc1cc(CN2CCC[C@H](C)[C@H]2C[NH3+])nc(C)n1 ZINC000662245020 412042015 /nfs/dbraw/zinc/04/20/15/412042015.db2.gz LJAVVTPSEAKPKC-IINYFYTJSA-N 2 0 248.374 1.653 20 0 BDADRP C[NH2+]CC1CC[NH+](CCO[C@@H]2CC2(F)F)CC1 ZINC000662246729 412043135 /nfs/dbraw/zinc/04/31/35/412043135.db2.gz QQKCEDUFXYEADN-LLVKDONJSA-N 2 0 248.317 1.342 20 0 BDADRP Cc1cc(CN2CCC[C@H]([C@@H](C)[NH3+])C2)nc(C)n1 ZINC000662247487 412044481 /nfs/dbraw/zinc/04/44/81/412044481.db2.gz ZZOLLEZTBAKFSZ-YPMHNXCESA-N 2 0 248.374 1.653 20 0 BDADRP CCc1nocc1CN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000662247103 412044559 /nfs/dbraw/zinc/04/45/59/412044559.db2.gz ZDQALEZZVGWWOF-MWLCHTKSSA-N 2 0 223.320 1.406 20 0 BDADRP C[NH2+]C[C@H]1CCCN1C[C@H](OC)C1CCCC1 ZINC000662247400 412045235 /nfs/dbraw/zinc/04/52/35/412045235.db2.gz ZWBLCPQIODNCFR-KGLIPLIRSA-N 2 0 240.391 1.875 20 0 BDADRP C([C@H]1CCC2(C[NH2+]C2)O1)[NH+]1CCCCCC1 ZINC000662248917 412046186 /nfs/dbraw/zinc/04/61/86/412046186.db2.gz FNKQGGRZEZBSTA-GFCCVEGCSA-N 2 0 224.348 1.383 20 0 BDADRP [NH3+]CCCOC1CC[NH+](CC2CC=CC2)CC1 ZINC000662248044 412047369 /nfs/dbraw/zinc/04/73/69/412047369.db2.gz RKLYGTASRVVEJS-UHFFFAOYSA-N 2 0 238.375 1.782 20 0 BDADRP C[N@H+](CC1CCCC1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662253256 412050173 /nfs/dbraw/zinc/05/01/73/412050173.db2.gz GVEFDJRXPULIDF-ZDUSSCGKSA-N 2 0 238.375 1.629 20 0 BDADRP CC[C@H](C)C[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662255475 412051529 /nfs/dbraw/zinc/05/15/29/412051529.db2.gz PTTWEOACDYWJSY-NWDGAFQWSA-N 2 0 226.364 1.485 20 0 BDADRP CC(C)[C@@H]1C[N@H+](C[C@@H]2CNCCO2)CCS1 ZINC000662259186 412053432 /nfs/dbraw/zinc/05/34/32/412053432.db2.gz RMWMKZVHIOQPPL-RYUDHWBXSA-N 2 0 244.404 1.048 20 0 BDADRP c1ccc([C@H]2CCCN2C[C@@H]2C[NH2+]CCO2)nc1 ZINC000662259732 412054684 /nfs/dbraw/zinc/05/46/84/412054684.db2.gz AVJNSAPCDJOMFK-GXTWGEPZSA-N 2 0 247.342 1.207 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000662264953 412056548 /nfs/dbraw/zinc/05/65/48/412056548.db2.gz FOCWNSDPSBUGNR-NWBUJAPZSA-N 2 0 208.349 1.702 20 0 BDADRP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ncn1 ZINC000662265706 412058723 /nfs/dbraw/zinc/05/87/23/412058723.db2.gz HZJWAGGTXXVQFN-YUTCNCBUSA-N 2 0 246.358 1.344 20 0 BDADRP CCC[N@@H+]1CC[C@@H](NC2CC[NH+](C)CC2)C1 ZINC000328160805 487621635 /nfs/dbraw/zinc/62/16/35/487621635.db2.gz HJWQEVAGGXCNMH-CYBMUJFWSA-N 2 0 225.380 1.155 20 0 BDADRP C[NH2+]CCC[N@H+](C)C[C@@H](OC)C1CCC1 ZINC000662279892 412071650 /nfs/dbraw/zinc/07/16/50/412071650.db2.gz AIWKUYZNRUGKLW-GFCCVEGCSA-N 2 0 214.353 1.343 20 0 BDADRP Cc1cc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)ncn1 ZINC000662273049 412064567 /nfs/dbraw/zinc/06/45/67/412064567.db2.gz ROCAAIXXNROMSB-GFCCVEGCSA-N 2 0 234.347 1.346 20 0 BDADRP CC[C@@H]1C[C@H](C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000359463418 171130585 /nfs/dbraw/zinc/13/05/85/171130585.db2.gz ZGVJIBLVZMDXFN-ZOBORPQBSA-N 2 0 238.375 1.343 20 0 BDADRP C[NH2+]CCC[N@H+](C)C[C@H](OC)C1CCC1 ZINC000662279893 412070632 /nfs/dbraw/zinc/07/06/32/412070632.db2.gz AIWKUYZNRUGKLW-LBPRGKRZSA-N 2 0 214.353 1.343 20 0 BDADRP Cc1nocc1C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000662285509 412077626 /nfs/dbraw/zinc/07/76/26/412077626.db2.gz KRQJDIQJWJHVEI-GXFFZTMASA-N 2 0 237.347 1.932 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C)C1CCC1 ZINC000662284613 412075924 /nfs/dbraw/zinc/07/59/24/412075924.db2.gz NTTILEGLYQYGFU-WCFLWFBJSA-N 2 0 226.364 1.613 20 0 BDADRP COCC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297400 412083841 /nfs/dbraw/zinc/08/38/41/412083841.db2.gz PDMBCROWMODRRT-ZDUSSCGKSA-N 2 0 226.364 1.344 20 0 BDADRP CC[C@H](C)[N@H+](CCO)CC[C@@H]1CCC[NH+]1C ZINC000336659128 171314213 /nfs/dbraw/zinc/31/42/13/171314213.db2.gz MTLSJBGQQAEFGF-STQMWFEESA-N 2 0 228.380 1.564 20 0 BDADRP CC[C@H](C)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000040770005 171341307 /nfs/dbraw/zinc/34/13/07/171341307.db2.gz CFIQCXGAJGBKNW-UONOGXRCSA-N 2 0 241.423 1.647 20 0 BDADRP C[N@H+](CCC1CC[NH2+]CC1)CC(C)(C)[NH3+] ZINC000662292149 412081458 /nfs/dbraw/zinc/08/14/58/412081458.db2.gz BTCKYSURYVCDIP-UHFFFAOYSA-N 3 0 213.369 1.045 20 0 BDADRP CC[C@H](C)[C@@H](C)[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000336666694 171365917 /nfs/dbraw/zinc/36/59/17/171365917.db2.gz QAGKBFPMKLCNTA-LOWVWBTDSA-N 2 0 228.380 1.466 20 0 BDADRP CC[C@H](C)[C@H](C)[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000336666693 171389794 /nfs/dbraw/zinc/38/97/94/171389794.db2.gz QAGKBFPMKLCNTA-GVXVVHGQSA-N 2 0 228.380 1.466 20 0 BDADRP COCC1([N@H+](C)CCCC2CC[NH2+]CC2)CC1 ZINC000662299634 412085894 /nfs/dbraw/zinc/08/58/94/412085894.db2.gz SSOWFGYFNMTANQ-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP [NH3+][C@@H]1CCc2ccccc2N(C[C@@H]2CC[NH2+]C2)C1 ZINC000662301546 412088087 /nfs/dbraw/zinc/08/80/87/412088087.db2.gz HFXBUGGJVCCZOR-TZMCWYRMSA-N 2 0 245.370 1.376 20 0 BDADRP C[C@@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)[C@H]1CCO ZINC000662303316 412089779 /nfs/dbraw/zinc/08/97/79/412089779.db2.gz VXSWZRCFZRJPRO-MCIONIFRSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@]12COC[C@@H]1C[N@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000662311036 412094358 /nfs/dbraw/zinc/09/43/58/412094358.db2.gz PUNVSDUCEZDBPC-RDBSUJKOSA-N 2 0 238.375 1.344 20 0 BDADRP C(C[N@@H+]1CC[C@H]2C[C@H]2C1)C1CC[NH2+]CC1 ZINC000662315464 412095375 /nfs/dbraw/zinc/09/53/75/412095375.db2.gz PVOTUUVYTOVADB-STQMWFEESA-N 2 0 208.349 1.718 20 0 BDADRP c1cc(C2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)no1 ZINC000662318161 412098103 /nfs/dbraw/zinc/09/81/03/412098103.db2.gz WPTMKTKCTDIKTH-GFCCVEGCSA-N 2 0 249.358 1.854 20 0 BDADRP CC(C)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319255 412099290 /nfs/dbraw/zinc/09/92/90/412099290.db2.gz LLJZVIFAEQIYTM-CYBMUJFWSA-N 2 0 228.380 1.685 20 0 BDADRP CC(C)=CC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662320965 412101206 /nfs/dbraw/zinc/10/12/06/412101206.db2.gz YNDOXTNEAKEVAB-CQSZACIVSA-N 2 0 240.391 1.995 20 0 BDADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCO1 ZINC000665236470 412176238 /nfs/dbraw/zinc/17/62/38/412176238.db2.gz NLCNGWLWNIGZQL-SNPRPXQTSA-N 2 0 248.370 1.714 20 0 BDADRP CC(C)(C)[N@@H+]1CC[C@H](N[C@H]2CCC[C@H]2[NH3+])C1 ZINC000665236819 412177279 /nfs/dbraw/zinc/17/72/79/412177279.db2.gz VCMIFKSZCQVIIO-TUAOUCFPSA-N 2 0 225.380 1.329 20 0 BDADRP Cc1ccncc1CC[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000665239720 412178056 /nfs/dbraw/zinc/17/80/56/412178056.db2.gz XZOXLIAMJGXKEF-QWHCGFSZSA-N 2 0 219.332 1.402 20 0 BDADRP CC[C@@H](C)CC[NH2+][C@@H](CCC[NH3+])COC ZINC000665238104 412178248 /nfs/dbraw/zinc/17/82/48/412178248.db2.gz QRRBYYKQUYMUGB-NEPJUHHUSA-N 2 0 216.369 1.766 20 0 BDADRP OC/C=C\C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000665239025 412179213 /nfs/dbraw/zinc/17/92/13/412179213.db2.gz KGXHCKJDFAUYIR-XJGNBYBUSA-N 2 0 238.375 1.435 20 0 BDADRP Cc1ccncc1CC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000665238931 412180246 /nfs/dbraw/zinc/18/02/46/412180246.db2.gz HVXJERDIVZNXPF-DZGCQCFKSA-N 2 0 247.386 1.910 20 0 BDADRP CO[C@@H](C)C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000665244794 412189338 /nfs/dbraw/zinc/18/93/38/412189338.db2.gz WUDHIAGOWDTOOS-UWVGGRQHSA-N 2 0 237.347 1.534 20 0 BDADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NCC1([NH3+])CCCC1 ZINC000665249600 412194620 /nfs/dbraw/zinc/19/46/20/412194620.db2.gz UEVOTDXOURIQAR-WCQYABFASA-N 2 0 237.391 1.330 20 0 BDADRP C[C@@H]1C[C@@H](NCC2([NH3+])CCCC2)CC[N@@H+]1C ZINC000665249074 412194754 /nfs/dbraw/zinc/19/47/54/412194754.db2.gz JEHOFVHNWXNJMI-NEPJUHHUSA-N 2 0 225.380 1.330 20 0 BDADRP Cc1cncc(CC[NH2+][C@H](C)CCCC[NH3+])n1 ZINC000665273766 412215412 /nfs/dbraw/zinc/21/54/12/412215412.db2.gz DATZJKPKJNSNGY-LLVKDONJSA-N 2 0 236.363 1.435 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21)C1C[NH2+]C1 ZINC000665263915 412208077 /nfs/dbraw/zinc/20/80/77/412208077.db2.gz XZSSEPYCTDYYDM-NOHGZBONSA-N 2 0 208.349 1.620 20 0 BDADRP C[C@]1(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1(F)F ZINC000665266623 412209876 /nfs/dbraw/zinc/20/98/76/412209876.db2.gz GJUMOKHHEGVGMH-KXUCPTDWSA-N 2 0 218.291 1.891 20 0 BDADRP CC[C@H]([NH2+]C)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000662399089 412147393 /nfs/dbraw/zinc/14/73/93/412147393.db2.gz GJNMWHMLJPGQQG-LBPRGKRZSA-N 2 0 235.331 1.343 20 0 BDADRP CC(C)[C@H]([NH3+])CNC(=O)c1cccc2c1C[NH2+]C2 ZINC000662424490 412163892 /nfs/dbraw/zinc/16/38/92/412163892.db2.gz STTJLQWTPRIKTP-CYBMUJFWSA-N 2 0 247.342 1.003 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CN(C[C@@H](C)c2ccccc2)CCO1 ZINC000132641555 412164144 /nfs/dbraw/zinc/16/41/44/412164144.db2.gz VHJSXRMQNGWQKR-NFAWXSAZSA-N 2 0 248.370 1.838 20 0 BDADRP COC1CC(CC[NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000665230948 412169100 /nfs/dbraw/zinc/16/91/00/412169100.db2.gz ZDFYSXHXVHAIPV-UHFFFAOYSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(N)c2)CC[N@@H+]1C ZINC000665233865 412172223 /nfs/dbraw/zinc/17/22/23/412172223.db2.gz RKGYZYAHWBGLLO-RISCZKNCSA-N 2 0 233.359 1.841 20 0 BDADRP CC[C@H]([NH2+]C)C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000662672851 412266116 /nfs/dbraw/zinc/26/61/16/412266116.db2.gz GEFYQPTVKRFFBM-RYUDHWBXSA-N 2 0 243.395 1.077 20 0 BDADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000662729716 412285671 /nfs/dbraw/zinc/28/56/71/412285671.db2.gz UOJVWMAIEUDHLJ-NEPJUHHUSA-N 2 0 243.395 1.062 20 0 BDADRP Cc1cncc(CC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])n1 ZINC000665274790 412216782 /nfs/dbraw/zinc/21/67/82/412216782.db2.gz YLJHZZWXNSNKNQ-ZIAGYGMSSA-N 2 0 248.374 1.577 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000665280458 412219315 /nfs/dbraw/zinc/21/93/15/412219315.db2.gz BWJUHNHPQMLPLV-YNEHKIRRSA-N 2 0 227.396 1.432 20 0 BDADRP C([NH2+]C(C1CC1)C1CC1)C12CC(C1)C[NH2+]2 ZINC000665277830 412220890 /nfs/dbraw/zinc/22/08/90/412220890.db2.gz MVHTZPLDRALXRA-UHFFFAOYSA-N 2 0 206.333 1.517 20 0 BDADRP C([NH2+][C@H]1CC[C@@H]1C1CCC1)C12CC(C1)C[NH2+]2 ZINC000665279469 412220921 /nfs/dbraw/zinc/22/09/21/412220921.db2.gz CWZWDUSDONIJRP-LJMKDGOPSA-N 2 0 220.360 1.907 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665279826 412223129 /nfs/dbraw/zinc/22/31/29/412223129.db2.gz NBDNXCJTUQCTBT-QPPOZKHWSA-N 2 0 238.375 1.533 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+]C1CCC(O)CC1 ZINC000665281403 412227020 /nfs/dbraw/zinc/22/70/20/412227020.db2.gz BDIGTGOVJQOKLT-HTAVTVPLSA-N 2 0 214.353 1.253 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CCCc1ccco1 ZINC000665283845 412228680 /nfs/dbraw/zinc/22/86/80/412228680.db2.gz WCBYBZPTJGDVBL-LBPRGKRZSA-N 2 0 240.347 1.556 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCCc1ccco1 ZINC000665284020 412229073 /nfs/dbraw/zinc/22/90/73/412229073.db2.gz YVYXYQUUURVWCJ-RYUDHWBXSA-N 2 0 208.305 1.682 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000665283660 412229601 /nfs/dbraw/zinc/22/96/01/412229601.db2.gz RXOHXYOVJJVJNY-FRRDWIJNSA-N 2 0 227.396 1.609 20 0 BDADRP FCCOCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000665299978 412248001 /nfs/dbraw/zinc/24/80/01/412248001.db2.gz VWOKHWSEYUXEQJ-JHJVBQTASA-N 2 0 244.354 1.483 20 0 BDADRP CC[C@@H](C(N)=O)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000335395846 487624621 /nfs/dbraw/zinc/62/46/21/487624621.db2.gz LVILEXZDFSBNNV-JTQLQIEISA-N 2 0 225.336 1.376 20 0 BDADRP C[NH+]1CCC(CC[NH2+][C@H]2CCOC2)CC1 ZINC000122079871 172983802 /nfs/dbraw/zinc/98/38/02/172983802.db2.gz BTDYUGHFVNJUBU-LBPRGKRZSA-N 2 0 212.337 1.097 20 0 BDADRP C[NH+]1CCC(CC[NH2+]C2CCOCC2)CC1 ZINC000122001112 172984268 /nfs/dbraw/zinc/98/42/68/172984268.db2.gz YMORGZHUCHJENV-UHFFFAOYSA-N 2 0 226.364 1.487 20 0 BDADRP C[NH+]1CCC2(CCC[N@H+](CCCO)C2)CC1 ZINC000376382867 173003235 /nfs/dbraw/zinc/00/32/35/173003235.db2.gz FKFJZXSHJPCPBK-UHFFFAOYSA-N 2 0 226.364 1.177 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000226011751 173033726 /nfs/dbraw/zinc/03/37/26/173033726.db2.gz XSHMJWSYGFSMPP-KCPJHIHWSA-N 2 0 245.370 1.815 20 0 BDADRP C[N@H+](CCOCC1CC1)C[C@H]1CCC[NH+](C)C1 ZINC000121032851 173041227 /nfs/dbraw/zinc/04/12/27/173041227.db2.gz PCGLIITUDOJJJF-AWEZNQCLSA-N 2 0 240.391 1.687 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@]2(CCOC2)C1 ZINC000245628866 173054685 /nfs/dbraw/zinc/05/46/85/173054685.db2.gz POZQOGOLHROHTF-UONOGXRCSA-N 2 0 238.375 1.583 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCCCF)C2)C1 ZINC000367847877 173138475 /nfs/dbraw/zinc/13/84/75/173138475.db2.gz RIEFSEKWSAENRT-GFCCVEGCSA-N 2 0 214.328 1.764 20 0 BDADRP C[N@@H+]1CC[C@](O)(CNC/C=C/c2ccccc2)C1 ZINC000358170507 173164975 /nfs/dbraw/zinc/16/49/75/173164975.db2.gz RIUHHFWKWDAMRZ-PXTSUWAFSA-N 2 0 246.354 1.356 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+](CCOC3CCC3)C2)C1 ZINC000368637881 173168574 /nfs/dbraw/zinc/16/85/74/173168574.db2.gz ZHJSPKHFVWAFEI-AWEZNQCLSA-N 2 0 238.375 1.583 20 0 BDADRP C[NH2+]CC1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000359213163 173338383 /nfs/dbraw/zinc/33/83/83/173338383.db2.gz HUCMIFVNFLGKOI-UHFFFAOYSA-N 3 0 239.407 1.308 20 0 BDADRP C[NH2+]CC1CC[NH+](CCC(F)(F)F)CC1 ZINC000070914025 173338939 /nfs/dbraw/zinc/33/89/39/173338939.db2.gz BJXJUXDSPKJFIT-UHFFFAOYSA-N 2 0 224.270 1.870 20 0 BDADRP C[NH2+]CCC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000043600402 173341853 /nfs/dbraw/zinc/34/18/53/173341853.db2.gz AGAQPEYTGPMUKD-UHFFFAOYSA-N 2 0 235.331 1.296 20 0 BDADRP C[NH2+]CCC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000069730294 173342527 /nfs/dbraw/zinc/34/25/27/173342527.db2.gz MMNJMXCDQAPKEG-ZDUSSCGKSA-N 2 0 226.364 1.344 20 0 BDADRP C[NH2+]CCC[N@H+](C)CCc1ccc(OC)cc1 ZINC000124916509 173345891 /nfs/dbraw/zinc/34/58/91/173345891.db2.gz DMGPQQBMLHANNK-UHFFFAOYSA-N 2 0 236.359 1.779 20 0 BDADRP C[NH2+]CCC[N@H+](CCOC)CC(C)C ZINC000042370639 173346717 /nfs/dbraw/zinc/34/67/17/173346717.db2.gz ZXQIRAFZSGQRNL-UHFFFAOYSA-N 2 0 202.342 1.200 20 0 BDADRP C[NH2+]CCCN(CCC[NH3+])CC1CCCC1 ZINC000352509817 173347066 /nfs/dbraw/zinc/34/70/66/173347066.db2.gz LDBSHJHFZWYQGX-UHFFFAOYSA-N 2 0 227.396 1.437 20 0 BDADRP C[NH2+]CCCN1C[C@@H](c2ccccc2)[C@@H](C[NH3+])C1 ZINC000337081691 173347342 /nfs/dbraw/zinc/34/73/42/173347342.db2.gz WNEXRCOPAJZGET-GJZGRUSLSA-N 2 0 247.386 1.270 20 0 BDADRP C[NH2+]C[C@@H]1CCCN(CCOc2ccccc2)C1 ZINC000011888925 173368274 /nfs/dbraw/zinc/36/82/74/173368274.db2.gz CIZOJMWQOFFNMQ-AWEZNQCLSA-N 2 0 248.370 1.997 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](CCOCCC(C)C)C1 ZINC000049267794 173368422 /nfs/dbraw/zinc/36/84/22/173368422.db2.gz XBFLOZVLQXUWIZ-AWEZNQCLSA-N 2 0 242.407 1.981 20 0 BDADRP C[NH2+]C[C@H](C)C(=O)NCC1([NH3+])CCCCCC1 ZINC000122459427 173374276 /nfs/dbraw/zinc/37/42/76/173374276.db2.gz UFDJVRGOULBCBB-NSHDSACASA-N 2 0 241.379 1.010 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000295189990 173389028 /nfs/dbraw/zinc/38/90/28/173389028.db2.gz ITLYJBQVYNUSDX-LBPRGKRZSA-N 2 0 233.315 1.097 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)[C@H](C)[C@H](C)[NH3+])cc1 ZINC000295207359 173389068 /nfs/dbraw/zinc/38/90/68/173389068.db2.gz LCIWLLONEYKFSS-ZJUUUORDSA-N 2 0 235.331 1.328 20 0 BDADRP COCC(C)(C)C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000309468923 174072113 /nfs/dbraw/zinc/07/21/13/174072113.db2.gz QDFRGVLRDQEUDK-UHFFFAOYSA-N 2 0 226.364 1.511 20 0 BDADRP COCC(C)(C)C[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000336676808 174074194 /nfs/dbraw/zinc/07/41/94/174074194.db2.gz CHHNTEIGOJXDJU-NWDGAFQWSA-N 2 0 240.391 1.874 20 0 BDADRP COCC(C)(C)C[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000336772981 174074671 /nfs/dbraw/zinc/07/46/71/174074671.db2.gz YHGZJBCWAQJRPN-WDEREUQCSA-N 2 0 214.353 1.199 20 0 BDADRP COCC1(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)CCC1 ZINC000336724596 174104541 /nfs/dbraw/zinc/10/45/41/174104541.db2.gz UQMYYHYCEIGENW-STQMWFEESA-N 2 0 240.391 1.733 20 0 BDADRP COCC1(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CCC1 ZINC000310391128 174106615 /nfs/dbraw/zinc/10/66/15/174106615.db2.gz IYCNATFZWQDWAV-OLZOCXBDSA-N 2 0 240.391 1.875 20 0 BDADRP COCCC1(C[NH2+][C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000234893936 174155490 /nfs/dbraw/zinc/15/54/90/174155490.db2.gz PQXAZYAFSFPBTG-RYUDHWBXSA-N 2 0 226.364 1.520 20 0 BDADRP COCCC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000368319259 174232337 /nfs/dbraw/zinc/23/23/37/174232337.db2.gz WATKNMNSGGZRFY-GFCCVEGCSA-N 2 0 212.337 1.051 20 0 BDADRP COCCC[C@@H](C)[NH2+]CCCC[NH+](C)C ZINC000309037137 174260147 /nfs/dbraw/zinc/26/01/47/174260147.db2.gz IVGYHCXOJCNCKF-GFCCVEGCSA-N 2 0 216.369 1.733 20 0 BDADRP COCCC[C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000336770046 174262860 /nfs/dbraw/zinc/26/28/60/174262860.db2.gz VIBMUYSHJNHOSK-NEPJUHHUSA-N 2 0 216.369 1.589 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCC12CCC2 ZINC000337391219 174275788 /nfs/dbraw/zinc/27/57/88/174275788.db2.gz LAZMKMKVXJQEAB-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP COCC[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000045018746 174381889 /nfs/dbraw/zinc/38/18/89/174381889.db2.gz OJWQWQATYBVFKL-GFCCVEGCSA-N 2 0 228.380 1.874 20 0 BDADRP COCC[C@@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000336764472 174382581 /nfs/dbraw/zinc/38/25/81/174382581.db2.gz QANCZEAQNUGHCY-LLVKDONJSA-N 2 0 212.337 1.263 20 0 BDADRP COc1cccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)c1 ZINC000234980299 175260761 /nfs/dbraw/zinc/26/07/61/175260761.db2.gz ZRNUAYCBMQVHPZ-CQSZACIVSA-N 2 0 234.343 1.866 20 0 BDADRP COc1ccccc1CC[NH2+][C@H](C)CCC[NH3+] ZINC000310573385 175323168 /nfs/dbraw/zinc/32/31/68/175323168.db2.gz ZXAHQIYGCZMGDS-GFCCVEGCSA-N 2 0 236.359 1.955 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000082474635 175801299 /nfs/dbraw/zinc/80/12/99/175801299.db2.gz SNBGEDUISMYCSL-MNOVXSKESA-N 2 0 212.337 1.082 20 0 BDADRP C[C@@H](c1ccccn1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000122359278 176027536 /nfs/dbraw/zinc/02/75/36/176027536.db2.gz PXIDIYDVKJNIQW-WOPDTQHZSA-N 2 0 219.332 1.812 20 0 BDADRP C[C@@H](c1cccnc1)[NH+]1CCC(C[NH3+])CC1 ZINC000044511633 176029443 /nfs/dbraw/zinc/02/94/43/176029443.db2.gz JWWCISZNVFKSOW-NSHDSACASA-N 2 0 219.332 1.813 20 0 BDADRP C[C@@H]1CCCC[C@H]1[N@H+](C)CCN1CC[NH2+]CC1 ZINC000042610968 176086341 /nfs/dbraw/zinc/08/63/41/176086341.db2.gz POBIOXPYGQSZDP-ZIAGYGMSSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000216234159 176150843 /nfs/dbraw/zinc/15/08/43/176150843.db2.gz XTFVKYMDULVXIH-JHJVBQTASA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@]1(C)CCOC1 ZINC000336777253 176268951 /nfs/dbraw/zinc/26/89/51/176268951.db2.gz HUUICFRUQUERKZ-AGIUHOORSA-N 2 0 226.364 1.343 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCC1(O)CCC1 ZINC000336676995 176269165 /nfs/dbraw/zinc/26/91/65/176269165.db2.gz BICKYZBRCVMHID-NEPJUHHUSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000336781217 176269258 /nfs/dbraw/zinc/26/92/58/176269258.db2.gz UCIYIYDWDSGYRQ-OLZOCXBDSA-N 3 0 227.396 1.258 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@]1(C)CCOC1 ZINC000336777256 176271471 /nfs/dbraw/zinc/27/14/71/176271471.db2.gz HUUICFRUQUERKZ-UPJWGTAASA-N 2 0 226.364 1.343 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000336781091 176274556 /nfs/dbraw/zinc/27/45/56/176274556.db2.gz TXZZPWSEVLZXQR-LPWJVIDDSA-N 2 0 225.380 1.009 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1CCOCC1 ZINC000111155333 176279073 /nfs/dbraw/zinc/27/90/73/176279073.db2.gz YVAVALSXUFZZIM-BZPMIXESSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCn1ccnc1 ZINC000041119538 176279080 /nfs/dbraw/zinc/27/90/80/176279080.db2.gz QNZZIYSCIVTMEZ-UPJWGTAASA-N 2 0 236.363 1.201 20 0 BDADRP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CCCO1 ZINC000061918643 176286914 /nfs/dbraw/zinc/28/69/14/176286914.db2.gz BJCZEIHCHRDEGB-LLVKDONJSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)C[C@@H]1N(C)C ZINC000124275475 176287903 /nfs/dbraw/zinc/28/79/03/176287903.db2.gz NVEKYAWKJLHEMG-OCCSQVGLSA-N 2 0 239.407 1.258 20 0 BDADRP C[C@@H]1C[N@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000050952303 176288197 /nfs/dbraw/zinc/28/81/97/176288197.db2.gz PMKWMTHLIBIMAP-GFCCVEGCSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC[C@H]1CC[NH2+]C1 ZINC000251543367 176322568 /nfs/dbraw/zinc/32/25/68/176322568.db2.gz AWCQOOOYMZRYMO-MCIONIFRSA-N 2 0 237.391 1.155 20 0 BDADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@@H]1CCC[NH2+]C1 ZINC000094460792 176322962 /nfs/dbraw/zinc/32/29/62/176322962.db2.gz TXVRMESRJJXZSI-MGPQQGTHSA-N 2 0 237.391 1.155 20 0 BDADRP C[C@@H]1CSCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000069762442 176351954 /nfs/dbraw/zinc/35/19/54/176351954.db2.gz JNUARDYALBMLTG-LLVKDONJSA-N 2 0 228.405 1.813 20 0 BDADRP C[C@@H]1C[C@@H]([N@H+](C)CCC(C)(C)O)CCN1C ZINC000360457906 176371346 /nfs/dbraw/zinc/37/13/46/176371346.db2.gz XBWAEBHZXPLFRA-NEPJUHHUSA-N 2 0 228.380 1.562 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCOC2)CC[N@@H+]1C ZINC000300358983 176376559 /nfs/dbraw/zinc/37/65/59/176376559.db2.gz CQDAVWVYTDAKPF-AGIUHOORSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000309397826 176618270 /nfs/dbraw/zinc/61/82/70/176618270.db2.gz TWUJXHJPUUPVPE-UPJWGTAASA-N 2 0 228.380 1.645 20 0 BDADRP C[C@H](CC[NH+](C)C)NC(=O)c1ccc(C[NH3+])cc1 ZINC000049551609 176625497 /nfs/dbraw/zinc/62/54/97/176625497.db2.gz VKLILMAGNINPSJ-LLVKDONJSA-N 2 0 249.358 1.215 20 0 BDADRP C[C@H]1CCCC[C@@H]1[N@H+](C)CCN1CC[NH2+]CC1 ZINC000042610967 177081217 /nfs/dbraw/zinc/08/12/17/177081217.db2.gz POBIOXPYGQSZDP-KBPBESRZSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@H]1CC[N@H+](Cc2cccc(O)c2)C[C@@H]1C[NH3+] ZINC000163460230 177165099 /nfs/dbraw/zinc/16/50/99/177165099.db2.gz GUKHCDKCVBEHKE-AAEUAGOBSA-N 2 0 234.343 1.809 20 0 BDADRP C[C@@H]1CO[C@@H](C)C[N@@H+]1CC1CC[NH2+]CC1 ZINC000035787523 177246706 /nfs/dbraw/zinc/24/67/06/177246706.db2.gz ONCCOLGQBLIQFL-MNOVXSKESA-N 2 0 212.337 1.095 20 0 BDADRP C[C@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CC(C)(C)O1 ZINC000251702651 177253800 /nfs/dbraw/zinc/25/38/00/177253800.db2.gz OEKOXZOGQCYOCW-QWHCGFSZSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)CCCO1 ZINC000336339501 177253922 /nfs/dbraw/zinc/25/39/22/177253922.db2.gz DMCIAUJLENBEFD-UONOGXRCSA-N 2 0 240.391 1.972 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH2+]1 ZINC000235369618 177257172 /nfs/dbraw/zinc/25/71/72/177257172.db2.gz JLKIDSWYXTVNJX-FVCCEPFGSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(N)=[NH2+])C1 ZINC000303264340 177313581 /nfs/dbraw/zinc/31/35/81/177313581.db2.gz SEUMNNWRBAVHOA-PHIMTYICSA-N 2 0 226.368 1.228 20 0 BDADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCC1CC[NH2+]CC1 ZINC000359220983 177323629 /nfs/dbraw/zinc/32/36/29/177323629.db2.gz OEVUBBWCCYRVKM-AAEUAGOBSA-N 3 0 225.380 1.045 20 0 BDADRP C[C@H]1C[C@@H](C[N@@H+]2CCCSCC2)CC[NH2+]1 ZINC000235699025 177324528 /nfs/dbraw/zinc/32/45/28/177324528.db2.gz XNUNOABKVPJHDB-RYUDHWBXSA-N 2 0 228.405 1.813 20 0 BDADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCc1ccccc1 ZINC000122372241 177324844 /nfs/dbraw/zinc/32/48/44/177324844.db2.gz RVXGLJDHMBPUSE-JSGCOSHPSA-N 2 0 218.344 1.898 20 0 BDADRP C[C@H]1C[C@@H](N(C)Cc2cccnc2)CC[N@@H+]1C ZINC000177056831 177326751 /nfs/dbraw/zinc/32/67/51/177326751.db2.gz ZZBBUONXOLFMQK-JSGCOSHPSA-N 2 0 233.359 1.996 20 0 BDADRP C[C@H]1C[C@@H](NC(=O)c2ccc(C[NH3+])cc2)CC[NH2+]1 ZINC000336318470 177329933 /nfs/dbraw/zinc/32/99/33/177329933.db2.gz BGBMMGGDMGTWKW-GWCFXTLKSA-N 2 0 247.342 1.016 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCC2CCOCC2)CC[N@@H+]1C ZINC000310332224 177330702 /nfs/dbraw/zinc/33/07/02/177330702.db2.gz ZAFYAAJESYRAEK-JSGCOSHPSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCC2CC(O)C2)CC[N@@H+]1C ZINC000309789857 177330896 /nfs/dbraw/zinc/33/08/96/177330896.db2.gz OYMMAGZTPAKKHO-QCXCNERSSA-N 2 0 226.364 1.220 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCN2CC=CCC2)CC[N@@H+]1C ZINC000359037478 177332562 /nfs/dbraw/zinc/33/25/62/177332562.db2.gz QWEHEYYZKXVQCU-KBPBESRZSA-N 2 0 237.391 1.321 20 0 BDADRP C[C@H]1C[C@H]([N@H+](C)CC2CC[NH2+]CC2)CCN1C ZINC000132992568 177364855 /nfs/dbraw/zinc/36/48/55/177364855.db2.gz NKXJFJKKLJMUBG-GXTWGEPZSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCN2CC=CCC2)CC[N@@H+]1C ZINC000359037481 177369118 /nfs/dbraw/zinc/36/91/18/177369118.db2.gz QWEHEYYZKXVQCU-UONOGXRCSA-N 2 0 237.391 1.321 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NC1CC[NH+](C)CC1 ZINC000036908598 177369377 /nfs/dbraw/zinc/36/93/77/177369377.db2.gz OYZLVNPZPCHLKQ-DYEKYZERSA-N 2 0 239.407 1.399 20 0 BDADRP C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000400362177 225097236 /nfs/dbraw/zinc/09/72/36/225097236.db2.gz CKWBIUWQIOMPDW-CRWXNKLISA-N 2 0 237.391 1.343 20 0 BDADRP COCC(C)(C)C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000494352624 226264357 /nfs/dbraw/zinc/26/43/57/226264357.db2.gz VLRYLMVIPQAHKR-CYBMUJFWSA-N 2 0 242.407 1.981 20 0 BDADRP C[C@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000503904882 226336741 /nfs/dbraw/zinc/33/67/41/226336741.db2.gz VGIZLHDVFGAUMA-ZRUFSTJUSA-N 2 0 248.317 1.686 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000400339250 226340991 /nfs/dbraw/zinc/34/09/91/226340991.db2.gz HALLYZHLZKIIAN-YVECIDJPSA-N 2 0 226.364 1.532 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)[C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000557190451 322935096 /nfs/dbraw/zinc/93/50/96/322935096.db2.gz OXMFZUOQOTTXLG-GXFFZTMASA-N 2 0 247.342 1.343 20 0 BDADRP C[C@H]([NH3+])[C@H](C)NC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662568291 487661041 /nfs/dbraw/zinc/66/10/41/487661041.db2.gz QSYCHHXWOYNPFZ-OUJBWJOFSA-N 2 0 247.342 1.073 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCCc2cncn2C)C1 ZINC000314980960 487669148 /nfs/dbraw/zinc/66/91/48/487669148.db2.gz XNMSAOJEDQLSFF-VXGBXAGGSA-N 2 0 236.363 1.022 20 0 BDADRP Cn1cncc1CCC[N@H+](C)C1CC[NH2+]CC1 ZINC000314923711 487670249 /nfs/dbraw/zinc/67/02/49/487670249.db2.gz PSZCASUKZQRLPY-UHFFFAOYSA-N 2 0 236.363 1.037 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1CC[NH3+] ZINC000307648754 229217158 /nfs/dbraw/zinc/21/71/58/229217158.db2.gz FEBKFHNQFWGVDW-CQSZACIVSA-N 2 0 247.386 1.542 20 0 BDADRP C[C@H]([NH3+])CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000307656439 229218339 /nfs/dbraw/zinc/21/83/39/229218339.db2.gz QMGYJPMHCWELDN-AWEZNQCLSA-N 2 0 247.386 1.542 20 0 BDADRP C[C@H]([NH3+])CN1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000307661861 229218693 /nfs/dbraw/zinc/21/86/93/229218693.db2.gz VKKQNTABBKSMGE-UONOGXRCSA-N 2 0 247.386 1.540 20 0 BDADRP C[C@H](C[NH2+]CC[C@@H]1CCOC1)C[NH+]1CCCC1 ZINC000400535328 229239639 /nfs/dbraw/zinc/23/96/39/229239639.db2.gz IXVQWYYSRGGQNG-ZIAGYGMSSA-N 2 0 240.391 1.735 20 0 BDADRP OCC[C@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000087647741 487673436 /nfs/dbraw/zinc/67/34/36/487673436.db2.gz SPUSMGGZQOSHGB-CYBMUJFWSA-N 2 0 226.364 1.223 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCOCC1CC1 ZINC000227259433 487685467 /nfs/dbraw/zinc/68/54/67/487685467.db2.gz XVZJPGUJZPNMRF-ZYHUDNBSSA-N 2 0 212.337 1.225 20 0 BDADRP Cc1cncc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000228622647 487695083 /nfs/dbraw/zinc/69/50/83/487695083.db2.gz SKSCISOSDWMJSV-NWDGAFQWSA-N 2 0 219.332 1.559 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)C[C@@H]1CCOC1 ZINC000398885348 262772011 /nfs/dbraw/zinc/77/20/11/262772011.db2.gz KJAGTAXMBZDCIW-STQMWFEESA-N 2 0 226.364 1.344 20 0 BDADRP COCC[C@H](C)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000336717774 487721398 /nfs/dbraw/zinc/72/13/98/487721398.db2.gz YHQAWUMSEZQVSP-NWDGAFQWSA-N 2 0 212.337 1.097 20 0 BDADRP CC[N@H+](CCNC(=O)CCC(C)(C)[NH3+])C1CC1 ZINC000226397756 487731077 /nfs/dbraw/zinc/73/10/77/487731077.db2.gz JRJYTXHYOHUWEL-UHFFFAOYSA-N 2 0 241.379 1.104 20 0 BDADRP COC(=O)c1cc(CN[C@@H](C)CC[NH3+])oc1C ZINC000414875045 487733445 /nfs/dbraw/zinc/73/34/45/487733445.db2.gz BQLDDZPXUDDOFK-QMMMGPOBSA-N 2 0 240.303 1.202 20 0 BDADRP C/C=C\C[C@H](CO)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000681142283 487737028 /nfs/dbraw/zinc/73/70/28/487737028.db2.gz SIRVDYUOMQJXJI-UISIKIEVSA-N 2 0 240.391 1.633 20 0 BDADRP C[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076446180 487741583 /nfs/dbraw/zinc/74/15/83/487741583.db2.gz HJXITIXBKNPWJP-HIFRSBDPSA-N 2 0 248.370 1.479 20 0 BDADRP C(C[N@@H+]1CC[C@@H](N2CCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000250820968 487742287 /nfs/dbraw/zinc/74/22/87/487742287.db2.gz GDFVPWRMLFEQFA-ZIAGYGMSSA-N 2 0 237.391 1.156 20 0 BDADRP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)C1CC1 ZINC000675510000 487743611 /nfs/dbraw/zinc/74/36/11/487743611.db2.gz LGVWLPJDEHBXCC-UONOGXRCSA-N 2 0 240.391 1.564 20 0 BDADRP C([NH2+]C[C@H]1CCCOC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000111319964 487772900 /nfs/dbraw/zinc/77/29/00/487772900.db2.gz CUKDYYXYEAOMDQ-CHWSQXEVSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@H]1C[N@H+](CCOCc2ccccc2)CC[C@@H]1[NH3+] ZINC000309863608 487775401 /nfs/dbraw/zinc/77/54/01/487775401.db2.gz DVSONRLBXFMHHN-ZFWWWQNUSA-N 2 0 248.370 1.872 20 0 BDADRP CC[C@H](C)[C@@H](O)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000675875365 487785091 /nfs/dbraw/zinc/78/50/91/487785091.db2.gz XELHXJGEZRLISO-SCRDCRAPSA-N 2 0 242.407 1.713 20 0 BDADRP CC[C@@H]1C[N@@H+]([C@H](C)COC)CC[C@H]1[NH3+] ZINC000251728598 487792945 /nfs/dbraw/zinc/79/29/45/487792945.db2.gz KHFKDFUCOOHEBR-GMTAPVOTSA-N 2 0 200.326 1.081 20 0 BDADRP [NH3+]CCC[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000414699058 487817847 /nfs/dbraw/zinc/81/78/47/487817847.db2.gz DVXGFSYAHJHBHJ-VXGBXAGGSA-N 2 0 212.337 1.084 20 0 BDADRP COC[C@H](CC(C)C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000414925781 487829256 /nfs/dbraw/zinc/82/92/56/487829256.db2.gz MDAORNQLVBOIFF-AGIUHOORSA-N 2 0 228.380 1.907 20 0 BDADRP COCCCCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000234630451 487845516 /nfs/dbraw/zinc/84/55/16/487845516.db2.gz JFWGBVVRZHNWDU-NEPJUHHUSA-N 2 0 214.353 1.663 20 0 BDADRP CC[N@H+](C[C@@H]1CCOC1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000666623360 487847673 /nfs/dbraw/zinc/84/76/73/487847673.db2.gz OYTCHZAQXWIYOJ-RDBSUJKOSA-N 2 0 240.391 1.733 20 0 BDADRP C[N@@H+](Cc1ccc(N)nc1)CC1CC[NH+](C)CC1 ZINC000063121860 487856849 /nfs/dbraw/zinc/85/68/49/487856849.db2.gz PNTQSBDEHNUZLK-UHFFFAOYSA-N 2 0 248.374 1.437 20 0 BDADRP C[C@@H]([NH2+][C@H]1CO[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000401819942 487863945 /nfs/dbraw/zinc/86/39/45/487863945.db2.gz JJZBFULAUQWPRY-NQBHXWOUSA-N 2 0 226.364 1.484 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1Cc2ccccc21 ZINC000234725875 487868335 /nfs/dbraw/zinc/86/83/35/487868335.db2.gz PHLVKEUOXFDQEN-UONOGXRCSA-N 2 0 248.370 1.670 20 0 BDADRP C[C@@H]1C[N@H+](CCCC2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000225064945 487876793 /nfs/dbraw/zinc/87/67/93/487876793.db2.gz CNFNVQLWTQCVTA-QWHCGFSZSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]C[C@H]1CCOc2ccccc21 ZINC000666826293 487886687 /nfs/dbraw/zinc/88/66/87/487886687.db2.gz UEQZNVLCUXMYKR-VXGBXAGGSA-N 2 0 234.343 1.737 20 0 BDADRP C[C@H]([NH2+]CC[C@@]1(C)C[C@@]1(F)Cl)C1C[NH2+]C1 ZINC000844926638 645349857 /nfs/dbraw/zinc/34/98/57/645349857.db2.gz ZWOHHPCNPFDODU-LSJOCFKGSA-N 2 0 234.746 1.889 20 0 BDADRP C[C@@H](CC[NH3+])[NH2+]Cc1ccccc1-n1cncn1 ZINC000666831958 487888144 /nfs/dbraw/zinc/88/81/44/487888144.db2.gz QHMOKTNDWGHMRI-NSHDSACASA-N 2 0 245.330 1.094 20 0 BDADRP c1nc2ccccn2c1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666855242 487890170 /nfs/dbraw/zinc/89/01/70/487890170.db2.gz GXXJZOSBYFADFI-GFCCVEGCSA-N 2 0 244.342 1.566 20 0 BDADRP CC(C)(C)[NH2+]CCN[C@H]1CCC[NH2+]CC1 ZINC000666858912 487891930 /nfs/dbraw/zinc/89/19/30/487891930.db2.gz FETMJOMIPTWAIQ-NSHDSACASA-N 2 0 213.369 1.106 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)N[C@H]1CCC[NH2+]CC1 ZINC000666859004 487892336 /nfs/dbraw/zinc/89/23/36/487892336.db2.gz UZOJQBBVVRFYJP-FRRDWIJNSA-N 2 0 225.380 1.249 20 0 BDADRP COC[C@H](C)C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000666921637 487905614 /nfs/dbraw/zinc/90/56/14/487905614.db2.gz KNQKCVLWVXIHKE-IJLUTSLNSA-N 2 0 214.353 1.376 20 0 BDADRP Cc1nccn1CCC[NH2+][C@H](C)CCCCO ZINC000679332984 487913737 /nfs/dbraw/zinc/91/37/37/487913737.db2.gz AICPACNCJUJFOF-GFCCVEGCSA-N 2 0 239.363 1.722 20 0 BDADRP C[C@H](CC1CC1)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666953781 487914057 /nfs/dbraw/zinc/91/40/57/487914057.db2.gz HVOIEFCVJYTMST-ZYHUDNBSSA-N 2 0 208.349 1.907 20 0 BDADRP c1ccc2c(c1)CC([NH2+][C@H]1CC13CC[NH2+]CC3)C2 ZINC000666954297 487916036 /nfs/dbraw/zinc/91/60/36/487916036.db2.gz UCPSNPKHWCMYQV-HNNXBMFYSA-N 2 0 242.366 1.886 20 0 BDADRP COC[C@H](C)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000666968922 487921080 /nfs/dbraw/zinc/92/10/80/487921080.db2.gz IUKNPEGKHGIPIR-MCIONIFRSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000667040073 487933468 /nfs/dbraw/zinc/93/34/68/487933468.db2.gz BJCRHMOBJOGZQJ-WZRBSPASSA-N 2 0 249.362 1.030 20 0 BDADRP CCC[C@@](C)([NH3+])c1nc(C[C@H](C)[NH2+]C)no1 ZINC000569361511 322964239 /nfs/dbraw/zinc/96/42/39/322964239.db2.gz CMYPJWODGYGVGP-GZMMTYOYSA-N 2 0 226.324 1.194 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccc2c1NCC2 ZINC000566230029 322976675 /nfs/dbraw/zinc/97/66/75/322976675.db2.gz AAYVNGZHROHGDM-WDEREUQCSA-N 2 0 233.359 1.870 20 0 BDADRP CCC([NH3+])(CC)C[NH2+]C[C@@H](C)COC ZINC000560944298 322993636 /nfs/dbraw/zinc/99/36/36/322993636.db2.gz MHULHNDTQPVERE-SNVBAGLBSA-N 2 0 202.342 1.376 20 0 BDADRP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000449670779 323004779 /nfs/dbraw/zinc/00/47/79/323004779.db2.gz YKMONVYZLTWHEP-ZANVPECISA-N 2 0 247.342 1.602 20 0 BDADRP C[C@@H]1C[C@H](NCc2ccccc2CO)CC[N@@H+]1C ZINC000151774656 323026871 /nfs/dbraw/zinc/02/68/71/323026871.db2.gz QUPNLMQCCJDXSY-IUODEOHRSA-N 2 0 248.370 1.751 20 0 BDADRP C[C@H](CC[NH3+])NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000562809246 323031079 /nfs/dbraw/zinc/03/10/79/323031079.db2.gz IMEYSVMOAKCAHN-DGCLKSJQSA-N 2 0 249.358 1.320 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CC1(O)Cc2ccccc2C1 ZINC000562959546 323035283 /nfs/dbraw/zinc/03/52/83/323035283.db2.gz XHUWGVOFGAJPQV-LBPRGKRZSA-N 2 0 248.370 1.233 20 0 BDADRP COC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])C(C)C ZINC000569684670 323036913 /nfs/dbraw/zinc/03/69/13/323036913.db2.gz WGIXEBPAWBPNBL-AXFHLTTASA-N 2 0 202.342 1.373 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000570079332 323049231 /nfs/dbraw/zinc/04/92/31/323049231.db2.gz FZWULDRIMNOFPF-NRUFJFEESA-N 2 0 223.364 1.129 20 0 BDADRP C[C@@H](C(=O)NCc1ccc([C@H](C)[NH3+])cc1)[C@H](C)[NH3+] ZINC000570079759 323049284 /nfs/dbraw/zinc/04/92/84/323049284.db2.gz TYGUZXXEYJVJFN-VWYCJHECSA-N 2 0 249.358 1.306 20 0 BDADRP C(COCC1CCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000570320915 323055925 /nfs/dbraw/zinc/05/59/25/323055925.db2.gz MFVFQWBTCCDTQL-PBWFPOADSA-N 2 0 238.375 1.676 20 0 BDADRP COCC1(CC[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000570802296 323070797 /nfs/dbraw/zinc/07/07/97/323070797.db2.gz FLDASGQJXYYAMN-NWDGAFQWSA-N 2 0 226.364 1.533 20 0 BDADRP [NH3+]CCC[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000563135322 323094653 /nfs/dbraw/zinc/09/46/53/323094653.db2.gz JUUQDVSHSBEGNP-ZDUSSCGKSA-N 2 0 220.316 1.489 20 0 BDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)C(C)(C)[NH3+])cc1 ZINC000570962323 323101772 /nfs/dbraw/zinc/10/17/72/323101772.db2.gz WBRDUZLKUNWYTA-SECBINFHSA-N 2 0 235.331 1.060 20 0 BDADRP CC[C@H]([NH2+]CCc1cncn1C)[C@@H]1CCOC1 ZINC000401833904 323127828 /nfs/dbraw/zinc/12/78/28/323127828.db2.gz HGSSUDWLJKXRTK-YPMHNXCESA-N 2 0 237.347 1.367 20 0 BDADRP C(C[NH2+][C@H]1CCOC2(CCC2)C1)CN1CCC1 ZINC000563639030 323133338 /nfs/dbraw/zinc/13/33/38/323133338.db2.gz WTRLOHPVMHFIBF-ZDUSSCGKSA-N 2 0 238.375 1.774 20 0 BDADRP COCCC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC000409431548 323133606 /nfs/dbraw/zinc/13/36/06/323133606.db2.gz SOLXIYXTQGXTNI-UHFFFAOYSA-N 2 0 226.364 1.487 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1NCC[C@H]1CCC[NH2+]1 ZINC000571157212 323136946 /nfs/dbraw/zinc/13/69/46/323136946.db2.gz RZUMCJRALUQBNR-UPJWGTAASA-N 2 0 225.380 1.236 20 0 BDADRP Cc1cnc(CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)nc1 ZINC000571418745 323144492 /nfs/dbraw/zinc/14/44/92/323144492.db2.gz YYRSEDXDRJNBTK-NWDGAFQWSA-N 2 0 234.347 1.187 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH2+]CC[C@H]2CCOC2)C1 ZINC000300359195 323152752 /nfs/dbraw/zinc/15/27/52/323152752.db2.gz GOLXBINVIQAYIH-QWHCGFSZSA-N 2 0 226.364 1.344 20 0 BDADRP Cc1cnccc1C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000302255765 323153423 /nfs/dbraw/zinc/15/34/23/323153423.db2.gz BGRVPYSHBSYGBE-ZDUSSCGKSA-N 2 0 233.359 1.868 20 0 BDADRP Cc1nc(CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c(C)o1 ZINC000563735407 323176655 /nfs/dbraw/zinc/17/66/55/323176655.db2.gz ZOICIYVHKOPNGB-VXGBXAGGSA-N 2 0 237.347 1.693 20 0 BDADRP CCOC(=O)C[C@H](C)[N@H+](C)CC1CC[NH2+]CC1 ZINC000094024732 323177679 /nfs/dbraw/zinc/17/76/79/323177679.db2.gz FMZNLLUSQMOXLC-NSHDSACASA-N 2 0 242.363 1.260 20 0 BDADRP CC[C@@H](O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000532212506 323210113 /nfs/dbraw/zinc/21/01/13/323210113.db2.gz RTDUMFZGNGYUGN-GFCCVEGCSA-N 2 0 214.353 1.175 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC12CC(C1)CO2 ZINC000530220306 323217848 /nfs/dbraw/zinc/21/78/48/323217848.db2.gz MUUGOQUBTGYSDG-QBHFIFKDSA-N 2 0 224.348 1.415 20 0 BDADRP C[C@@H]1CC[N@H+](CCN[C@@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000532531148 323274049 /nfs/dbraw/zinc/27/40/49/323274049.db2.gz SBQRJQNMRXEMOI-MGPQQGTHSA-N 2 0 239.407 1.258 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccnc(N)c2)CC1 ZINC000572881081 323514292 /nfs/dbraw/zinc/51/42/92/323514292.db2.gz ZYVKMMUEUIMEJV-JTQLQIEISA-N 2 0 234.347 1.053 20 0 BDADRP CCO[C@@H]1C[N@H+](C[C@@H](C)C(C)(C)C)C[C@H]1C[NH3+] ZINC000405865512 487961414 /nfs/dbraw/zinc/96/14/14/487961414.db2.gz PGEUASZDAUBGGH-JHJVBQTASA-N 2 0 242.407 1.964 20 0 BDADRP C[NH2+]CCCNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000121327261 324010981 /nfs/dbraw/zinc/01/09/81/324010981.db2.gz HRIRHKUDUGVRSG-RYUDHWBXSA-N 2 0 241.379 1.010 20 0 BDADRP CC[C@H](COC)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000122601064 324050085 /nfs/dbraw/zinc/05/00/85/324050085.db2.gz JKSPJOMOMDJICK-UPJWGTAASA-N 2 0 228.380 1.874 20 0 BDADRP COC[C@H](C)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000225713836 324199765 /nfs/dbraw/zinc/19/97/65/324199765.db2.gz RCDDHLHRFCIKDH-IJLUTSLNSA-N 2 0 214.353 1.328 20 0 BDADRP CCO[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1C[NH3+] ZINC000405891018 487963663 /nfs/dbraw/zinc/96/36/63/487963663.db2.gz XCDLWMZZIOLQIB-CHWSQXEVSA-N 2 0 226.364 1.472 20 0 BDADRP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)[C@H]1CCOC1 ZINC000128622928 324861261 /nfs/dbraw/zinc/86/12/61/324861261.db2.gz LLSUORNOGPLLJF-KGLIPLIRSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@]1(C(=O)Nc2ccc(C[NH3+])cc2)CCC[NH2+]1 ZINC000131097574 325114761 /nfs/dbraw/zinc/11/47/61/325114761.db2.gz WUEPWBWYYPAOAC-CYBMUJFWSA-N 2 0 233.315 1.226 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@]1(C)CO ZINC000545396716 325218615 /nfs/dbraw/zinc/21/86/15/325218615.db2.gz WJBABESBGYWOPY-OLZOCXBDSA-N 2 0 226.364 1.318 20 0 BDADRP C[C@]1(CO)CCC[N@@H+]1CCC[NH+]1CCCC1 ZINC000546104728 325265810 /nfs/dbraw/zinc/26/58/10/325265810.db2.gz NXBZETOBJSSQFV-CYBMUJFWSA-N 2 0 226.364 1.319 20 0 BDADRP COC[C@@H](C)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000564316749 325340883 /nfs/dbraw/zinc/34/08/83/325340883.db2.gz WSXVDIKTBQKAON-ICIURTGMSA-N 2 0 240.391 1.826 20 0 BDADRP CC[C@@H](CO)[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000253629476 325729755 /nfs/dbraw/zinc/72/97/55/325729755.db2.gz PUXUXUZWSPHCIN-IGQOVBAYSA-N 2 0 240.391 1.658 20 0 BDADRP C[C@H]1COCC[C@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000564989693 325841744 /nfs/dbraw/zinc/84/17/44/325841744.db2.gz XJPXFIZENBMYTF-SMDDNHRTSA-N 2 0 234.343 1.660 20 0 BDADRP C[NH+](C)C1CC([NH2+]C[C@H]2CCCOC2)C1 ZINC000565216585 325877954 /nfs/dbraw/zinc/87/79/54/325877954.db2.gz FTCWWKFTHWUQKV-VOMCLLRMSA-N 2 0 212.337 1.095 20 0 BDADRP COc1ccccc1/C=C\C[N@H+](C)CCC[NH3+] ZINC000566225785 326018182 /nfs/dbraw/zinc/01/81/82/326018182.db2.gz LXOXCANXYOVPGW-YVMONPNESA-N 2 0 234.343 1.989 20 0 BDADRP CCOC(=O)CC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566242947 326021826 /nfs/dbraw/zinc/02/18/26/326021826.db2.gz PBNSTQKCJXUKBB-CYBMUJFWSA-N 2 0 240.347 1.015 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1cc[nH]c(=O)c1 ZINC000566688454 326074734 /nfs/dbraw/zinc/07/47/34/326074734.db2.gz ABFXRLVHTFSXAL-DLOVCJGASA-N 2 0 235.331 1.708 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@H](C(C)C)C1CC1 ZINC000153791951 326113666 /nfs/dbraw/zinc/11/36/66/326113666.db2.gz RDTQGCYMXWITAD-CQSZACIVSA-N 2 0 242.407 1.979 20 0 BDADRP C[NH2+]CC1CC[NH+](CCn2cc(C)cn2)CC1 ZINC000310259566 326188723 /nfs/dbraw/zinc/18/87/23/326188723.db2.gz BYUWCKRSJHVFGN-UHFFFAOYSA-N 2 0 236.363 1.123 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)N[C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000567871209 326274049 /nfs/dbraw/zinc/27/40/49/326274049.db2.gz ZRCPYGSKFYRZCF-BJDJZHNGSA-N 2 0 213.369 1.232 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)N[C@@H](C)C[C@H](C)[NH3+] ZINC000567871211 326274130 /nfs/dbraw/zinc/27/41/30/326274130.db2.gz ZRCPYGSKFYRZCF-NNYUYHANSA-N 2 0 213.369 1.232 20 0 BDADRP CC(C)OC(=O)CC[NH+]1CCC(CC[NH3+])CC1 ZINC000568056892 326301358 /nfs/dbraw/zinc/30/13/58/326301358.db2.gz FQPPJSMVRLLWRO-UHFFFAOYSA-N 2 0 242.363 1.389 20 0 BDADRP C[NH2+]CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000568509544 326360976 /nfs/dbraw/zinc/36/09/76/326360976.db2.gz TUGOJRJOUUEECD-UHFFFAOYSA-N 2 0 249.358 1.088 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)[C@H]2CC[NH2+][C@H]2C)c1 ZINC000568864489 326380004 /nfs/dbraw/zinc/38/00/04/326380004.db2.gz BGOBVPDEHHFTDY-GWCFXTLKSA-N 2 0 247.342 1.390 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)CCC[NH3+])cc1 ZINC000568878085 326380785 /nfs/dbraw/zinc/38/07/85/326380785.db2.gz FZEPQLOGMZTWLT-VIFPVBQESA-N 2 0 221.304 1.384 20 0 BDADRP C[C@@H](CCC[NH3+])NC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000569104932 326390354 /nfs/dbraw/zinc/39/03/54/326390354.db2.gz OTOPDCWSIPVNPJ-FZMZJTMJSA-N 2 0 249.358 1.104 20 0 BDADRP C[NH2+]CCC1CC[NH+](C[C@H](C)COC)CC1 ZINC000163542843 326403369 /nfs/dbraw/zinc/40/33/69/326403369.db2.gz FVSMZRLNJJVKRU-LBPRGKRZSA-N 2 0 228.380 1.590 20 0 BDADRP CC(C)OCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000158923208 487983513 /nfs/dbraw/zinc/98/35/13/487983513.db2.gz GFRIAZFKXLIQTK-WDEREUQCSA-N 2 0 200.326 1.271 20 0 BDADRP CC[N@@H+]1CCN(c2cc[nH+]c(C)c2)C[C@@H]1C ZINC000681393059 488002500 /nfs/dbraw/zinc/00/25/00/488002500.db2.gz YQMVVCACOBYEBR-LBPRGKRZSA-N 2 0 219.332 1.920 20 0 BDADRP C1[NH2+]C[C@H]2CC[C@@H]([NH2+][C@@H]3CCCOC3)C[C@@H]12 ZINC000400964678 488012022 /nfs/dbraw/zinc/01/20/22/488012022.db2.gz MOVFYQAHRIOBOL-YVECIDJPSA-N 2 0 224.348 1.143 20 0 BDADRP CC[C@@H](O)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000229966767 488015248 /nfs/dbraw/zinc/01/52/48/488015248.db2.gz WSMXNWGULVROGV-CMPLNLGQSA-N 2 0 214.353 1.077 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401008867 488015892 /nfs/dbraw/zinc/01/58/92/488015892.db2.gz GADWJGYRSDXZCW-YIYPIFLZSA-N 2 0 240.391 1.373 20 0 BDADRP CC[NH+]1CCC(N(C)C(=O)CC(C)(C)[NH3+])CC1 ZINC000084164484 488030845 /nfs/dbraw/zinc/03/08/45/488030845.db2.gz HIWDDSZEBUGVBF-UHFFFAOYSA-N 2 0 241.379 1.057 20 0 BDADRP C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C1CC1 ZINC000667504060 488033230 /nfs/dbraw/zinc/03/32/30/488033230.db2.gz GHJXPMDPPKCUTN-UHFFFAOYSA-N 2 0 228.299 1.862 20 0 BDADRP OC1CCC([NH2+]C[C@@H]2CCCCN2)CC1 ZINC000236467569 488062498 /nfs/dbraw/zinc/06/24/98/488062498.db2.gz YYEOKJHQTHRYIS-CXQJBGSLSA-N 2 0 212.337 1.022 20 0 BDADRP C[C@H](Cc1ccccn1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000656200603 488066973 /nfs/dbraw/zinc/06/69/73/488066973.db2.gz AVZZTVMOFAAMJQ-SQPSOYEMSA-N 2 0 245.370 1.885 20 0 BDADRP C[NH+](C)[C@@H]1CCC[N@@H+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000377390489 488071687 /nfs/dbraw/zinc/07/16/87/488071687.db2.gz JTOCPGXQEYMJIG-MGPQQGTHSA-N 2 0 240.391 1.706 20 0 BDADRP C[C@H](CC[NH3+])[NH2+]Cc1scnc1C1CC1 ZINC000414889770 488084080 /nfs/dbraw/zinc/08/40/80/488084080.db2.gz GOZAYMCUGKPCKJ-MRVPVSSYSA-N 2 0 225.361 1.847 20 0 BDADRP Cc1ncccc1CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257734374 488086190 /nfs/dbraw/zinc/08/61/90/488086190.db2.gz XQFMFQRNGIJXGT-OAHLLOKOSA-N 2 0 245.370 1.966 20 0 BDADRP CC(C)C[C@@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000669510680 488113420 /nfs/dbraw/zinc/11/34/20/488113420.db2.gz PFEORSRRWMEFGV-OLZOCXBDSA-N 2 0 249.358 1.176 20 0 BDADRP CC(C)([NH3+])CC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000669511071 488115214 /nfs/dbraw/zinc/11/52/14/488115214.db2.gz OPFYFAMEGNDECG-NSHDSACASA-N 2 0 241.379 1.138 20 0 BDADRP C[C@@H]1OCC[C@@]1(C)[NH2+]CCN1CCC(C)CC1 ZINC000683146788 488120612 /nfs/dbraw/zinc/12/06/12/488120612.db2.gz NWFIHXCSCOHLFJ-UONOGXRCSA-N 2 0 240.391 1.875 20 0 BDADRP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000403611991 488129177 /nfs/dbraw/zinc/12/91/77/488129177.db2.gz IZHZVKGDEOHWLQ-DGTMBMJNSA-N 2 0 220.360 1.574 20 0 BDADRP C[C@@H]1C[C@@H]1C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668785263 487531607 /nfs/dbraw/zinc/53/16/07/487531607.db2.gz OZEINANGRPAZCA-MGPQQGTHSA-N 2 0 240.391 1.685 20 0 BDADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1O)C1CC[NH+](C)CC1 ZINC000051996078 487489193 /nfs/dbraw/zinc/48/91/93/487489193.db2.gz APNAUCCACIYWCS-UBHSHLNASA-N 2 0 240.391 1.610 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(C)(C)C1 ZINC000381082181 487495695 /nfs/dbraw/zinc/49/56/95/487495695.db2.gz RRCKWKSEGOMDKE-LBPRGKRZSA-N 2 0 228.380 1.419 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@H]1C ZINC000381101008 487497543 /nfs/dbraw/zinc/49/75/43/487497543.db2.gz XVRYJCMNNHOKJT-UPJWGTAASA-N 2 0 228.380 1.418 20 0 BDADRP COC[C@H](C)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000086403874 487500866 /nfs/dbraw/zinc/50/08/66/487500866.db2.gz PQTNUWWZXNPSCJ-VWYCJHECSA-N 2 0 200.326 1.128 20 0 BDADRP Nc1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000334326126 487501868 /nfs/dbraw/zinc/50/18/68/487501868.db2.gz BNCCJMIPUXWHDR-OAHLLOKOSA-N 2 0 245.370 1.844 20 0 BDADRP C[NH+](C)C[C@@H]1CCCCN1C(=O)CC(C)(C)[NH3+] ZINC000404903097 487518686 /nfs/dbraw/zinc/51/86/86/487518686.db2.gz XPUKFLICVUVQJH-NSHDSACASA-N 2 0 241.379 1.057 20 0 BDADRP CCc1nocc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000662274424 487522663 /nfs/dbraw/zinc/52/26/63/487522663.db2.gz UCUPZYREMNEPNT-UHFFFAOYSA-N 2 0 249.358 1.813 20 0 BDADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCO[C@@H]1CC1(F)F ZINC000662274655 487523649 /nfs/dbraw/zinc/52/36/49/487523649.db2.gz ZGCYBKBQOMCOSJ-GHMZBOCLSA-N 2 0 248.317 1.614 20 0 BDADRP COCC(C)(C)C[N@H+](C)CCC[NH+](C)C ZINC000685452049 487525473 /nfs/dbraw/zinc/52/54/73/487525473.db2.gz JHQAAOASJYUXID-UHFFFAOYSA-N 2 0 216.369 1.543 20 0 BDADRP CC[C@@H]1C[N@H+](CC2CCOCC2)CC[C@@H]1[NH3+] ZINC000157895035 487579446 /nfs/dbraw/zinc/57/94/46/487579446.db2.gz CDUMVBXKIJGCDL-OLZOCXBDSA-N 2 0 226.364 1.472 20 0 BDADRP CC[NH+](CC)[C@@H]1CCN(C[C@H]2CC[NH2+]C2)C1 ZINC000249973067 487726016 /nfs/dbraw/zinc/72/60/16/487726016.db2.gz PHQJXJAMKJLHRH-QWHCGFSZSA-N 2 0 225.380 1.012 20 0 BDADRP CCOCCC[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000250536333 487734209 /nfs/dbraw/zinc/73/42/09/487734209.db2.gz TVJQODNBKXKMBG-MNOVXSKESA-N 2 0 200.326 1.225 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]Cc1nc2c(s1)CCC2 ZINC000666941487 487908948 /nfs/dbraw/zinc/90/89/48/487908948.db2.gz JMMOWVQRORZIME-SECBINFHSA-N 2 0 239.388 1.849 20 0 BDADRP [NH3+]CCC[NH2+]CCCc1cccc(F)c1 ZINC000309521411 487985044 /nfs/dbraw/zinc/98/50/44/487985044.db2.gz BTGFORAXSUGMCS-UHFFFAOYSA-N 2 0 210.296 1.697 20 0 BDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]CC1(C)CC1 ZINC000657573061 488137259 /nfs/dbraw/zinc/13/72/59/488137259.db2.gz IYRVUWZVYICELC-ZDUSSCGKSA-N 2 0 241.423 1.648 20 0 BDADRP Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cnn1C ZINC000093214410 488139160 /nfs/dbraw/zinc/13/91/60/488139160.db2.gz GGEATQIWEYXZSY-ZMLRMANQSA-N 2 0 236.363 1.649 20 0 BDADRP [NH3+][C@H]1CCC[C@@H](NCCC[NH+]2CCCCC2)C1 ZINC000093210219 488139346 /nfs/dbraw/zinc/13/93/46/488139346.db2.gz BWMSSJYTMXYMHS-UONOGXRCSA-N 2 0 239.407 1.722 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667853611 488139492 /nfs/dbraw/zinc/13/94/92/488139492.db2.gz IPDLNRCRDWEUKS-KBPBESRZSA-N 2 0 238.375 1.485 20 0 BDADRP COC[C@H](C)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000222994992 488139496 /nfs/dbraw/zinc/13/94/96/488139496.db2.gz PQTNUWWZXNPSCJ-MXWKQRLJSA-N 2 0 200.326 1.128 20 0 BDADRP C[N@H+](CCC1CCC1)CCN1CC[NH2+]CC1 ZINC000258922671 488142446 /nfs/dbraw/zinc/14/24/46/488142446.db2.gz NVJGBNARIJHGGG-UHFFFAOYSA-N 2 0 225.380 1.014 20 0 BDADRP C([NH2+][C@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)[C@@H]1CCCO1 ZINC000093451115 488155780 /nfs/dbraw/zinc/15/57/80/488155780.db2.gz YIWPBXNRFNDZNT-CRWXNKLISA-N 2 0 238.375 1.676 20 0 BDADRP C[C@@H]1CCN(CC[NH2+][C@H]2CO[C@@H](C3CC3)C2)C1 ZINC000667934548 488161983 /nfs/dbraw/zinc/16/19/83/488161983.db2.gz OKHCGRMHPUYKIP-MRVWCRGKSA-N 2 0 238.375 1.485 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000668740868 488193655 /nfs/dbraw/zinc/19/36/55/488193655.db2.gz XWLZABWWCNOEGI-YRGRVCCFSA-N 2 0 238.375 1.173 20 0 BDADRP c1nc2n(c1C[N@@H+]1CCC13CCOCC3)CCC2 ZINC000668068219 488197351 /nfs/dbraw/zinc/19/73/51/488197351.db2.gz GRTUFLCHWZHNCT-UHFFFAOYSA-N 2 0 247.342 1.584 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)CCCCO)C1CC[NH+](C)CC1 ZINC000398567916 488220368 /nfs/dbraw/zinc/22/03/68/488220368.db2.gz FFZADZIUADLCCN-QWHCGFSZSA-N 2 0 242.407 1.857 20 0 BDADRP C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2cn[nH]c2)C1 ZINC000678285539 488236854 /nfs/dbraw/zinc/23/68/54/488236854.db2.gz MCHJMNHVNZKGAR-ZDUSSCGKSA-N 2 0 248.374 1.573 20 0 BDADRP Cc1cc(C[NH2+]C2CCC([NH+](C)C)CC2)on1 ZINC000683890148 488237647 /nfs/dbraw/zinc/23/76/47/488237647.db2.gz LHPSIXSSWJXOSG-UHFFFAOYSA-N 2 0 237.347 1.945 20 0 BDADRP CC[N@@H+]1CCN(c2cc[nH+]cc2C)C[C@H]1C ZINC000684579376 488328656 /nfs/dbraw/zinc/32/86/56/488328656.db2.gz JJWOBTLJKFNEGL-GFCCVEGCSA-N 2 0 219.332 1.920 20 0 BDADRP C[NH+](C)CCOc1ccc(C[NH2+]CCF)cc1 ZINC000684799197 488342967 /nfs/dbraw/zinc/34/29/67/488342967.db2.gz CIAOMOTXANOCOV-UHFFFAOYSA-N 2 0 240.322 1.686 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1nccn1C ZINC000665282940 490096253 /nfs/dbraw/zinc/09/62/53/490096253.db2.gz FATXOVLDWNCYOY-QNWHQSFQSA-N 2 0 248.374 1.459 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1nccn1C ZINC000665282942 490096289 /nfs/dbraw/zinc/09/62/89/490096289.db2.gz FATXOVLDWNCYOY-WUHRBBMRSA-N 2 0 248.374 1.459 20 0 BDADRP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401013674 490181069 /nfs/dbraw/zinc/18/10/69/490181069.db2.gz HZOYQCGSRNMSFX-FVCCEPFGSA-N 2 0 240.391 1.514 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000069890334 490191261 /nfs/dbraw/zinc/19/12/61/490191261.db2.gz ITGUKENWRWCALI-NWDGAFQWSA-N 2 0 228.380 1.874 20 0 BDADRP C[C@@H](C[NH2+][C@H]1CCCOC1)C[NH+]1CCCC1 ZINC000070014410 490197753 /nfs/dbraw/zinc/19/77/53/490197753.db2.gz SBQDHMBBGMFBIR-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP CC[NH+](CC)CCCCNC(=O)[C@H](C)[NH+](C)C ZINC000078741506 490225096 /nfs/dbraw/zinc/22/50/96/490225096.db2.gz GLTZLTJQMVPBLT-LBPRGKRZSA-N 2 0 243.395 1.175 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cncs2)C1 ZINC000131429800 490636778 /nfs/dbraw/zinc/63/67/78/490636778.db2.gz CMPOFXBTHUKGRB-DTWKUNHWSA-N 2 0 211.334 1.503 20 0 BDADRP COc1ccc(C[NH2+][C@H](C)C2C[NH2+]C2)c(C)c1 ZINC000643467454 491068726 /nfs/dbraw/zinc/06/87/26/491068726.db2.gz IEKKGJZUKNGPMC-LLVKDONJSA-N 2 0 234.343 1.701 20 0 BDADRP Cn1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000655827585 491098691 /nfs/dbraw/zinc/09/86/91/491098691.db2.gz UKGJETYHXYVKCW-BETUJISGSA-N 2 0 221.348 1.455 20 0 BDADRP [NH3+]C1(C[NH2+]CCc2noc3ccccc32)CCC1 ZINC000655937917 491098748 /nfs/dbraw/zinc/09/87/48/491098748.db2.gz IGKPBNRUOLWEML-UHFFFAOYSA-N 2 0 245.326 1.841 20 0 BDADRP C[C@H]([NH2+]CCOCC1CC1)C1CC[NH+](C)CC1 ZINC000223395384 491136234 /nfs/dbraw/zinc/13/62/34/491136234.db2.gz UDDGPUXSTQKZCF-LBPRGKRZSA-N 2 0 240.391 1.733 20 0 BDADRP COC1CC([NH2+][C@H]2CCN(CC3CC3)C2)C1 ZINC000309971550 491159154 /nfs/dbraw/zinc/15/91/54/491159154.db2.gz PTLCZURZGPCXSU-HIFPTAJRSA-N 2 0 224.348 1.238 20 0 BDADRP C[C@H](NCC[NH+]1CCC(C)CC1)[C@@H]1CCC[NH2+]1 ZINC000400764518 533857595 /nfs/dbraw/zinc/85/75/95/533857595.db2.gz YZOCQUYGBWYLQV-KBPBESRZSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CCO)CC2)[C@H]1C ZINC000495065275 533945692 /nfs/dbraw/zinc/94/56/92/533945692.db2.gz JSHUSTFUWOUIPA-DYEKYZERSA-N 2 0 240.391 1.325 20 0 BDADRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](C)O)C1 ZINC000248799425 535598175 /nfs/dbraw/zinc/59/81/75/535598175.db2.gz ZUHIRCTYPOUTSQ-NWDGAFQWSA-N 2 0 214.353 1.031 20 0 BDADRP CS[C@H](C)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400498872 534060696 /nfs/dbraw/zinc/06/06/96/534060696.db2.gz IAPNBUVTRIKJGZ-UTLUCORTSA-N 2 0 202.367 1.468 20 0 BDADRP CC(C)OCCC[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422762443 517449241 /nfs/dbraw/zinc/44/92/41/517449241.db2.gz NQMUMZUNQIOCHG-GHMZBOCLSA-N 2 0 202.342 1.517 20 0 BDADRP CCC1(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)CCOCC1 ZINC000400504924 527753306 /nfs/dbraw/zinc/75/33/06/527753306.db2.gz CWGXJOQJSYENCI-OLZOCXBDSA-N 2 0 240.391 1.923 20 0 BDADRP CCC[N@H+](CC)CCNC(=O)C[NH+](C)C(C)C ZINC000174653008 527966161 /nfs/dbraw/zinc/96/61/61/527966161.db2.gz AZINWMGUCCELOV-UHFFFAOYSA-N 2 0 243.395 1.175 20 0 BDADRP CC[NH+](CC)CCCN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000400478461 528112703 /nfs/dbraw/zinc/11/27/03/528112703.db2.gz VQEZNDQLPCBQDM-CHWSQXEVSA-N 2 0 227.396 1.448 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400344729 528180071 /nfs/dbraw/zinc/18/00/71/528180071.db2.gz INWDJZKYMWWXOZ-RWMBFGLXSA-N 2 0 227.396 1.447 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@H]1C[N@H+](CC)C[C@H]1C ZINC000475354276 528267671 /nfs/dbraw/zinc/26/76/71/528267671.db2.gz SMCQOMYAUNVBJX-MCIONIFRSA-N 2 0 241.423 1.647 20 0 BDADRP CCCCOCCC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400342155 528587884 /nfs/dbraw/zinc/58/78/84/528587884.db2.gz HRYCIDXMANLPHP-CHWSQXEVSA-N 2 0 228.380 1.923 20 0 BDADRP CC(C)[N@H+](C)CCN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400551015 528824180 /nfs/dbraw/zinc/82/41/80/528824180.db2.gz XNPGPEOOHWBGTA-NEPJUHHUSA-N 2 0 213.369 1.057 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@H](C)OC)C1 ZINC000252714952 534957457 /nfs/dbraw/zinc/95/74/57/534957457.db2.gz UEARPKZPHJVKFD-FRRDWIJNSA-N 2 0 228.380 1.731 20 0 BDADRP CCC([NH3+])(CC)C[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000158633400 535195460 /nfs/dbraw/zinc/19/54/60/535195460.db2.gz CRELKUGWGUKYCU-WDEREUQCSA-N 2 0 214.353 1.519 20 0 BDADRP CC(C)([NH3+])CNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000335700181 535206397 /nfs/dbraw/zinc/20/63/97/535206397.db2.gz KTKOQPHYBOKQJD-WDEREUQCSA-N 2 0 241.379 1.138 20 0 BDADRP CC(C)([NH3+])C[NH2+]C1Cc2ccccc2C1 ZINC000261531326 535208786 /nfs/dbraw/zinc/20/87/86/535208786.db2.gz GCXXAJQEOOFZPE-UHFFFAOYSA-N 2 0 204.317 1.481 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CCC[C@@H]([NH+](C)C)C1 ZINC000227653195 535280083 /nfs/dbraw/zinc/28/00/83/535280083.db2.gz FPFKTGCSUFXKEK-CHWSQXEVSA-N 2 0 227.396 1.386 20 0 BDADRP CC(C)C[C@@H]1CCC[N@@H+]1CCOCC[NH3+] ZINC000261558319 535284495 /nfs/dbraw/zinc/28/44/95/535284495.db2.gz YCDNNLPAVPTBKJ-LBPRGKRZSA-N 2 0 214.353 1.472 20 0 BDADRP CC(C)[C@](C)(O)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000261583539 535285192 /nfs/dbraw/zinc/28/51/92/535285192.db2.gz PCRBHLMIQRRLTR-JHJVBQTASA-N 2 0 228.380 1.501 20 0 BDADRP CC(C)(O)CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250373233 535293198 /nfs/dbraw/zinc/29/31/98/535293198.db2.gz XGXUYAWSZFAZRK-NEPJUHHUSA-N 2 0 226.364 1.364 20 0 BDADRP CC[C@@H](C(=O)NCC1([NH3+])CCC1)[NH+](CC)CC ZINC000342584578 535407589 /nfs/dbraw/zinc/40/75/89/535407589.db2.gz JOWIFLYZGOVSEE-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP CC[NH2+]CC1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000261585787 535458290 /nfs/dbraw/zinc/45/82/90/535458290.db2.gz QPQQJCOMFRUCQD-UHFFFAOYSA-N 3 0 213.369 1.045 20 0 BDADRP CC[NH2+]CC1CC[NH+](Cc2cnc(C)cn2)CC1 ZINC000347196066 535459787 /nfs/dbraw/zinc/45/97/87/535459787.db2.gz HQKZNAQPOYTLAI-UHFFFAOYSA-N 2 0 248.374 1.607 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@H](O)CC(C)(C)C)CC1 ZINC000223698772 535473557 /nfs/dbraw/zinc/47/35/57/535473557.db2.gz OKQSTYXKDSDYRA-CYBMUJFWSA-N 2 0 242.407 1.857 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[NH2+]C2)C1(C)C ZINC000261534284 535504205 /nfs/dbraw/zinc/50/42/05/535504205.db2.gz PJTXGJAXWGCHOK-GRYCIOLGSA-N 2 0 226.364 1.389 20 0 BDADRP CC[NH+](CC)CCN[C@@H]1CCC[NH2+]CC1 ZINC000168699144 535540572 /nfs/dbraw/zinc/54/05/72/535540572.db2.gz DBDCUPYGPJHMMJ-GFCCVEGCSA-N 2 0 213.369 1.060 20 0 BDADRP CC[NH+](CC)CCN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000084215523 535541614 /nfs/dbraw/zinc/54/16/14/535541614.db2.gz QFGCKNUITIHDHQ-OLZOCXBDSA-N 2 0 227.396 1.435 20 0 BDADRP CCOCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250565709 535551910 /nfs/dbraw/zinc/55/19/10/535551910.db2.gz VASQPDOOOQYKPS-STQMWFEESA-N 2 0 226.364 1.629 20 0 BDADRP CC[C@@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)C[C@H]1O ZINC000348128885 535860090 /nfs/dbraw/zinc/86/00/90/535860090.db2.gz QNFHEFHYSIFJGI-FRRDWIJNSA-N 2 0 226.364 1.173 20 0 BDADRP C[NH+](C)[C@H]1CCCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000084420563 536138208 /nfs/dbraw/zinc/13/82/08/536138208.db2.gz GFTHQIMNZMHLFQ-QWHCGFSZSA-N 2 0 225.380 1.012 20 0 BDADRP C[NH+]1CCC(N[C@@H]2CCCc3c[nH]nc32)CC1 ZINC000335951338 536344813 /nfs/dbraw/zinc/34/48/13/536344813.db2.gz MZIBCWONBYNUII-GFCCVEGCSA-N 2 0 234.347 1.471 20 0 BDADRP C[NH+]1CCC(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000250634376 536345097 /nfs/dbraw/zinc/34/50/97/536345097.db2.gz RUJRPWLDIOLMRT-KBPBESRZSA-N 2 0 237.391 1.297 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@](C)(O)C1 ZINC000252727949 536353740 /nfs/dbraw/zinc/35/37/40/536353740.db2.gz TVGZXACRYXXBJO-KGLIPLIRSA-N 2 0 240.391 1.708 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](O)C1(C)C ZINC000335722226 536371004 /nfs/dbraw/zinc/37/10/04/536371004.db2.gz WGEJNZYDGUINPI-VXGBXAGGSA-N 2 0 226.364 1.316 20 0 BDADRP C[N@@H+]1CCC[C@H]1CCN1CC[NH+](C)CC1(C)C ZINC000334345229 536390625 /nfs/dbraw/zinc/39/06/25/536390625.db2.gz ONNYQXGNOKKHOO-ZDUSSCGKSA-N 2 0 239.407 1.497 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])C1CC1 ZINC000262022929 536646186 /nfs/dbraw/zinc/64/61/86/536646186.db2.gz YISXZRLPTDTBKF-JHJVBQTASA-N 2 0 226.364 1.519 20 0 BDADRP CO[C@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000261532093 536708659 /nfs/dbraw/zinc/70/86/59/536708659.db2.gz JBXNIGCPVRZBTO-NEPJUHHUSA-N 2 0 212.337 1.097 20 0 BDADRP COc1ccccc1CC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000230285235 537039566 /nfs/dbraw/zinc/03/95/66/537039566.db2.gz VOCNHGBFYDXYED-AWEZNQCLSA-N 2 0 248.370 1.969 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000394110112 582955000 /nfs/dbraw/zinc/95/50/00/582955000.db2.gz MBPUZXDFOGXMBX-OCCSQVGLSA-N 2 0 242.407 1.571 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+]CC23CC(C2)C[NH2+]3)CCO1 ZINC000853245632 588728453 /nfs/dbraw/zinc/72/84/53/588728453.db2.gz AGZHWERSIRFLJO-NELGMTEASA-N 2 0 238.375 1.533 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@@H](O)c2ccccc21 ZINC000854229306 588781073 /nfs/dbraw/zinc/78/10/73/588781073.db2.gz KRPXOVJBXNYWOJ-BSLXNSKLSA-N 2 0 246.354 1.882 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCC1SCCS1 ZINC000854231938 588781430 /nfs/dbraw/zinc/78/14/30/588781430.db2.gz POZWICSCLVWWAS-IUCAKERBSA-N 2 0 232.418 1.652 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)C[C@@H]1CCCOC1 ZINC000113370870 588838106 /nfs/dbraw/zinc/83/81/06/588838106.db2.gz LXRAYOBCOLJKFC-KBPBESRZSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@H]1OCC[N@H+](CC2CC[NH+](C)CC2)[C@@H]1C ZINC000892048175 582772687 /nfs/dbraw/zinc/77/26/87/582772687.db2.gz IAZZORHYRIOUPK-VXGBXAGGSA-N 2 0 226.364 1.437 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](CNc2cc[nH+]cc2CO)C1 ZINC000892080322 582786708 /nfs/dbraw/zinc/78/67/08/582786708.db2.gz FHZBKDICHFKZNA-GFCCVEGCSA-N 2 0 249.358 1.138 20 0 BDADRP C(C[C@H]1CCCCO1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000223719596 582815618 /nfs/dbraw/zinc/81/56/18/582815618.db2.gz OSJCQVVNPUECAK-QWHCGFSZSA-N 2 0 226.364 1.677 20 0 BDADRP CC(C)CCNC(=[NH2+])NC[C@H](C)[NH+]1CCCC1 ZINC000848986686 582817902 /nfs/dbraw/zinc/81/79/02/582817902.db2.gz UKKZMEPTRMHVPM-LBPRGKRZSA-N 2 0 240.395 1.631 20 0 BDADRP Cc1cc(N)nc(N[C@H]2CCC[C@H]([NH+](C)C)C2)[nH+]1 ZINC000892824430 582989575 /nfs/dbraw/zinc/98/95/75/582989575.db2.gz QQZLWCXUKHHJAR-QWRGUYRKSA-N 2 0 249.362 1.652 20 0 BDADRP COC[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)C(C)C ZINC000086695655 583109578 /nfs/dbraw/zinc/10/95/78/583109578.db2.gz TZYVZEIFWTWCIY-GXTWGEPZSA-N 2 0 242.407 1.977 20 0 BDADRP CCn1cc(CC[N@@H+]2CCC[C@@H](C[NH3+])C2)cn1 ZINC000857083676 588886560 /nfs/dbraw/zinc/88/65/60/588886560.db2.gz GXEAITHUBFFTNG-LBPRGKRZSA-N 2 0 236.363 1.116 20 0 BDADRP CN(CCC[NH+]1CCCC1)c1cc[nH+]cc1CO ZINC000893668594 583192568 /nfs/dbraw/zinc/19/25/68/583192568.db2.gz OBLGPDMWHREHML-UHFFFAOYSA-N 2 0 249.358 1.496 20 0 BDADRP CO[C@H]1C[C@@H](C[NH+]2CCC([NH2+]C(C)C)CC2)C1 ZINC000878235137 583368506 /nfs/dbraw/zinc/36/85/06/583368506.db2.gz AACOVFUAEHHLLZ-XBXGTLAGSA-N 2 0 240.391 1.874 20 0 BDADRP C[NH+](C)CC1CCC([NH2+]Cc2cnc[nH]2)CC1 ZINC000894357640 583435567 /nfs/dbraw/zinc/43/55/67/583435567.db2.gz WFTDEHJZBWSGPR-UHFFFAOYSA-N 2 0 236.363 1.620 20 0 BDADRP CN(CC1C[NH+](C)C1)c1cc(N)[nH+]cc1Cl ZINC000894540519 583480843 /nfs/dbraw/zinc/48/08/43/583480843.db2.gz LILRJTVVABARGR-UHFFFAOYSA-N 2 0 240.738 1.315 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccn(C)n1 ZINC000894866622 583538017 /nfs/dbraw/zinc/53/80/17/583538017.db2.gz ZBNYFAPYLNPMBL-NSHDSACASA-N 2 0 236.363 1.413 20 0 BDADRP CC[C@@H]1OCC[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000894868071 583538568 /nfs/dbraw/zinc/53/85/68/583538568.db2.gz YOVBLEIRJZEVKL-OLZOCXBDSA-N 2 0 226.364 1.485 20 0 BDADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCCc3cn[nH]c32)CC1 ZINC000857859615 588914561 /nfs/dbraw/zinc/91/45/61/588914561.db2.gz HFPIRUYJSGOOQD-ZDUSSCGKSA-N 2 0 246.358 1.639 20 0 BDADRP C[C@H](CCNCc1cn(C)nc1Cl)[NH+](C)C ZINC000895290835 583637577 /nfs/dbraw/zinc/63/75/77/583637577.db2.gz UUKJTFOHYWRXSI-SECBINFHSA-N 2 0 244.770 1.503 20 0 BDADRP Cc1ncoc1CNCC[C@H](C)[NH+](C)C ZINC000895290823 583637928 /nfs/dbraw/zinc/63/79/28/583637928.db2.gz UNLLDUQIEDUEEH-VIFPVBQESA-N 2 0 211.309 1.413 20 0 BDADRP C[C@H](CCNCc1cnc(C2CC2)nc1)[NH+](C)C ZINC000895292092 583637951 /nfs/dbraw/zinc/63/79/51/583637951.db2.gz MDFNGDAEMIKDDU-LLVKDONJSA-N 2 0 248.374 1.784 20 0 BDADRP C[C@H](CC[NH2+][C@H]1COC2(CCC2)C1)[NH+](C)C ZINC000895428896 583668392 /nfs/dbraw/zinc/66/83/92/583668392.db2.gz JZYWNWTXIJIYMV-VXGBXAGGSA-N 2 0 226.364 1.628 20 0 BDADRP C[C@@H]1[C@@H](Nc2cc(N)[nH+]cc2Cl)CC[N@@H+]1C ZINC000895735478 583717403 /nfs/dbraw/zinc/71/74/03/583717403.db2.gz VHRJMETYYLUMRM-APPZFPTMSA-N 2 0 240.738 1.822 20 0 BDADRP C[NH+]1CCC(C[NH2+]C[C@@]2(C)CCCCO2)CC1 ZINC000896923139 583857215 /nfs/dbraw/zinc/85/72/15/583857215.db2.gz GNRPYBQHHUNZLO-CQSZACIVSA-N 2 0 240.391 1.877 20 0 BDADRP CCc1nccc(N2CCC23CC[NH+](C)CC3)n1 ZINC000897132094 583882967 /nfs/dbraw/zinc/88/29/67/583882967.db2.gz GKCWAXNIDNGWLZ-UHFFFAOYSA-N 2 0 246.358 1.714 20 0 BDADRP Cc1cc(N2CCC([NH2+]C(C)C)CC2)nc(N)[nH+]1 ZINC000728710481 583905428 /nfs/dbraw/zinc/90/54/28/583905428.db2.gz YMHGSCXYVCKNAU-UHFFFAOYSA-N 2 0 249.362 1.334 20 0 BDADRP C[C@H]1C[C@@H]1NC(=[NH2+])NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000864450831 584004991 /nfs/dbraw/zinc/00/49/91/584004991.db2.gz CRTHIJQLJQHGGJ-WOPDTQHZSA-N 2 0 238.379 1.241 20 0 BDADRP CCC(CC)NC(=[NH2+])NC[C@@H]1CC[N@H+](CC)C1 ZINC000864452304 584005389 /nfs/dbraw/zinc/00/53/89/584005389.db2.gz MHKYVBLCXKCOFP-NSHDSACASA-N 2 0 240.395 1.631 20 0 BDADRP C[C@H]1CN(C)C[C@H]1[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000897536186 584009827 /nfs/dbraw/zinc/00/98/27/584009827.db2.gz JIDLKUFNBRCDHI-FQUUOJAGSA-N 2 0 240.391 1.467 20 0 BDADRP CC[C@@H](C[NH+]1CCCC1)Nc1cc[nH+]c(CO)c1 ZINC000858416247 588952270 /nfs/dbraw/zinc/95/22/70/588952270.db2.gz XTZPHROGMZZFQL-LBPRGKRZSA-N 2 0 249.358 1.860 20 0 BDADRP C[NH+](C)[C@H]1CCC[C@@H](Nc2cc[nH+]c(CO)c2)C1 ZINC000858436736 588954788 /nfs/dbraw/zinc/95/47/88/588954788.db2.gz OPTIHRWNVYPXNI-RISCZKNCSA-N 2 0 249.358 1.859 20 0 BDADRP C[NH+](C)CC(C)(C)C[N@H+](C)C[C@H]1CCCOC1 ZINC000898308141 584109851 /nfs/dbraw/zinc/10/98/51/584109851.db2.gz PQKFHRZXTJOSBP-CYBMUJFWSA-N 2 0 242.407 1.933 20 0 BDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccoc1 ZINC000730109266 584123301 /nfs/dbraw/zinc/12/33/01/584123301.db2.gz PEEQYJHTABVSNM-GFCCVEGCSA-N 2 0 237.347 1.005 20 0 BDADRP [NH3+]C1(c2noc(C3=CCC[NH2+]CC3)n2)CCCC1 ZINC000900005338 584264247 /nfs/dbraw/zinc/26/42/47/584264247.db2.gz GEZRVHYWMNHXEE-UHFFFAOYSA-N 2 0 248.330 1.564 20 0 BDADRP [NH3+]C1(c2noc([C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)n2)CCCC1 ZINC000900005928 584264344 /nfs/dbraw/zinc/26/43/44/584264344.db2.gz NUHPKUCPFJZDLG-IVZWLZJFSA-N 2 0 248.330 1.406 20 0 BDADRP C[NH2+][C@@H](C)Cc1noc(C[C@@H]([NH3+])CC(C)C)n1 ZINC000900008307 584264992 /nfs/dbraw/zinc/26/49/92/584264992.db2.gz DMKWXEGKAFSREV-UWVGGRQHSA-N 2 0 240.351 1.136 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@H]2CCCCO2)C1 ZINC000902320736 584552408 /nfs/dbraw/zinc/55/24/08/584552408.db2.gz RYCKFRGJPKBROF-OLZOCXBDSA-N 2 0 240.391 1.923 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902335843 584564035 /nfs/dbraw/zinc/56/40/35/584564035.db2.gz CHJFDVCHYPMLCI-OLZOCXBDSA-N 2 0 242.407 1.763 20 0 BDADRP COC[C@H](C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)OC ZINC000902369863 584566275 /nfs/dbraw/zinc/56/62/75/584566275.db2.gz MOXZNHBDRCLLON-RYUDHWBXSA-N 2 0 244.379 1.016 20 0 BDADRP C[C@@H](CO)CCC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902372663 584566595 /nfs/dbraw/zinc/56/65/95/584566595.db2.gz UHMPENNAXMWOIJ-CHWSQXEVSA-N 2 0 242.407 1.763 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000902375195 584568150 /nfs/dbraw/zinc/56/81/50/584568150.db2.gz BEYZXKSPEJYMED-YNEHKIRRSA-N 2 0 240.391 1.658 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CC2(CCO)CC2)C1 ZINC000902377028 584568378 /nfs/dbraw/zinc/56/83/78/584568378.db2.gz PDVYUPIFVUCJFD-LBPRGKRZSA-N 2 0 240.391 1.517 20 0 BDADRP C[C@H](CCO)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902360325 584571144 /nfs/dbraw/zinc/57/11/44/584571144.db2.gz KWDAMWGTGLKHTN-GHMZBOCLSA-N 2 0 214.353 1.125 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H]2CCC[C@H]2O)C1 ZINC000902391069 584581718 /nfs/dbraw/zinc/58/17/18/584581718.db2.gz SLXQSDAKSNRHSY-IJLUTSLNSA-N 2 0 226.364 1.268 20 0 BDADRP CC1(C)C[NH2+]CC[C@H](N[C@@H](C[NH3+])C2CC2)C1 ZINC000902391810 584583080 /nfs/dbraw/zinc/58/30/80/584583080.db2.gz AULMNVIOXBFNJR-RYUDHWBXSA-N 2 0 225.380 1.092 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)C1 ZINC000902393598 584584124 /nfs/dbraw/zinc/58/41/24/584584124.db2.gz QZBOCNSBMNUMAN-CHWSQXEVSA-N 3 0 239.407 1.354 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H]2CC23CC3)C1 ZINC000902395139 584584789 /nfs/dbraw/zinc/58/47/89/584584789.db2.gz ZRUCSDWAILKVLT-MNOVXSKESA-N 2 0 208.349 1.907 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902400084 584586520 /nfs/dbraw/zinc/58/65/20/584586520.db2.gz XUZMBLIUAYOFGY-SDDRHHMPSA-N 2 0 225.380 1.105 20 0 BDADRP NOCCC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000902416629 584590623 /nfs/dbraw/zinc/59/06/23/584590623.db2.gz VFWSCZGOMFVKQI-RYUDHWBXSA-N 2 0 221.304 1.001 20 0 BDADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC(C)(C)C1CC1 ZINC000902429783 584594872 /nfs/dbraw/zinc/59/48/72/584594872.db2.gz GYXGQXSRNHWYSU-UHTWSYAYSA-N 2 0 240.391 1.765 20 0 BDADRP [NH3+][C@@H]1c2ccccc2C[C@H]1N[C@H]1CCC[NH2+]CC1 ZINC000902435279 584596480 /nfs/dbraw/zinc/59/64/80/584596480.db2.gz SHDZFZOHZRVFND-NWANDNLSSA-N 2 0 245.370 1.343 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902436475 584596624 /nfs/dbraw/zinc/59/66/24/584596624.db2.gz YOTYBVWAEAJYLJ-GZZJDILISA-N 2 0 233.359 1.327 20 0 BDADRP CC[N@@H+]1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)[C@@H](C)C1 ZINC000902472933 584601063 /nfs/dbraw/zinc/60/10/63/584601063.db2.gz LZPMZDLMKOMZNI-MQLXINIDSA-N 2 0 237.391 1.199 20 0 BDADRP C[C@H](NC[C@H]1CCCCC[NH2+]1)[C@H]1CCCC[NH2+]1 ZINC000902477725 584603306 /nfs/dbraw/zinc/60/33/06/584603306.db2.gz RIIMISOKJUWBRF-BFHYXJOUSA-N 2 0 239.407 1.639 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2C[NH2+]CC2(C)C)C[N@@H+]1C1CC1 ZINC000902448954 584605464 /nfs/dbraw/zinc/60/54/64/584605464.db2.gz KBLOOKQGZPZWDJ-NTZNESFSSA-N 2 0 237.391 1.199 20 0 BDADRP COCCC[C@H](C)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902450132 584606184 /nfs/dbraw/zinc/60/61/84/584606184.db2.gz RBJBHHNWCMXCGW-WDEREUQCSA-N 2 0 214.353 1.389 20 0 BDADRP CC[C@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)[C@H]1CCOC1 ZINC000902450135 584606508 /nfs/dbraw/zinc/60/65/08/584606508.db2.gz RBTWNPYTVJQKSX-SDDRHHMPSA-N 2 0 226.364 1.389 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C12CCC2 ZINC000902452864 584608125 /nfs/dbraw/zinc/60/81/25/584608125.db2.gz MTGRGFATDMFNEI-ANJQRKRZSA-N 2 0 234.343 1.022 20 0 BDADRP C[C@H](NCC[N@@H+]1CCC(C)(C)C1)[C@@H]1CCC[NH2+]1 ZINC000902454170 584608836 /nfs/dbraw/zinc/60/88/36/584608836.db2.gz GPPIJCZPZFFECV-STQMWFEESA-N 2 0 239.407 1.448 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1cncs1 ZINC000902454474 584608951 /nfs/dbraw/zinc/60/89/51/584608951.db2.gz HWIOAYFIDOOZPK-NXEZZACHSA-N 2 0 243.376 1.548 20 0 BDADRP CC1(C)CC[N@H+](CCN[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000902455172 584609306 /nfs/dbraw/zinc/60/93/06/584609306.db2.gz KDPJOKLTQSSLAW-QWHCGFSZSA-N 2 0 239.407 1.435 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)NCC[N@@H+]1CCC(C)(C)C1 ZINC000902455125 584609313 /nfs/dbraw/zinc/60/93/13/584609313.db2.gz JDVWRVXEMIYSNY-VXGBXAGGSA-N 2 0 227.396 1.434 20 0 BDADRP CC1(C)CC[N@H+](CCN[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000902457009 584610241 /nfs/dbraw/zinc/61/02/41/584610241.db2.gz RQKOVOFPVBSZSZ-NWDGAFQWSA-N 2 0 225.380 1.188 20 0 BDADRP CC1(C)CC[N@H+](CCN[C@H]2CCC[C@@H]2[NH3+])C1 ZINC000902457011 584610521 /nfs/dbraw/zinc/61/05/21/584610521.db2.gz RQKOVOFPVBSZSZ-RYUDHWBXSA-N 2 0 225.380 1.188 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902460864 584611770 /nfs/dbraw/zinc/61/17/70/584611770.db2.gz JPGAQKLEMFVGGZ-ZOLYEBIHSA-N 2 0 223.364 1.129 20 0 BDADRP CC1(C)C[C@@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C[C@@H]([NH3+])C1 ZINC000902464232 584612455 /nfs/dbraw/zinc/61/24/55/584612455.db2.gz BAPVFOIQWVFAOJ-NAWOPXAZSA-N 2 0 237.391 1.375 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC000902466909 584614514 /nfs/dbraw/zinc/61/45/14/584614514.db2.gz ORHZDBKDPSJOPQ-CKIKVBCHSA-N 2 0 224.348 1.427 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C1CCOCC1 ZINC000902471487 584616302 /nfs/dbraw/zinc/61/63/02/584616302.db2.gz PGFMULRRVWVQTA-FTYKPCCVSA-N 2 0 224.348 1.284 20 0 BDADRP C1C[C@H]2C[C@@H](N[C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)CC[N@@H+]2C1 ZINC000902470847 584616658 /nfs/dbraw/zinc/61/66/58/584616658.db2.gz HRZQXTNTZMTROF-QSLWVIQJSA-N 2 0 235.375 1.096 20 0 BDADRP COCC[C@H]1CCC[C@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902470231 584616666 /nfs/dbraw/zinc/61/66/66/584616666.db2.gz VAKXACDOENEBQG-XVIXHAIJSA-N 2 0 238.375 1.674 20 0 BDADRP C1C[C@H]2C[C@H](N[C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)CC[N@@H+]2C1 ZINC000902470845 584616791 /nfs/dbraw/zinc/61/67/91/584616791.db2.gz HRZQXTNTZMTROF-MEBFFEOJSA-N 2 0 235.375 1.096 20 0 BDADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000902490107 584617450 /nfs/dbraw/zinc/61/74/50/584617450.db2.gz SDZMIULOZYXGBP-TXFQPVFDSA-N 3 0 231.343 1.458 20 0 BDADRP COc1ccccc1C[C@H](C)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902490502 584618263 /nfs/dbraw/zinc/61/82/63/584618263.db2.gz VRMCPRVUCCNCON-OBJOEFQTSA-N 2 0 248.370 1.953 20 0 BDADRP CC[NH+]1CCC(NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC000902491252 584618446 /nfs/dbraw/zinc/61/84/46/584618446.db2.gz WGOSRYCCDXJLQI-AWEZNQCLSA-N 2 0 239.407 1.593 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CC=CC[C@H]1C ZINC000902505430 584621092 /nfs/dbraw/zinc/62/10/92/584621092.db2.gz SHRMKUKIHTVUKW-JHJVBQTASA-N 2 0 226.364 1.685 20 0 BDADRP C[C@H](NC[C@@H]1CCCCC[NH2+]1)[C@H]1CCC[NH2+]1 ZINC000902481361 584622985 /nfs/dbraw/zinc/62/29/85/584622985.db2.gz CBPRKERMWJBNHT-RWMBFGLXSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@H](CCCCO)[NH2+]C[C@@H]1CCCCC[NH2+]1 ZINC000902481631 584623848 /nfs/dbraw/zinc/62/38/48/584623848.db2.gz FVDOBWLCWVECOO-OLZOCXBDSA-N 2 0 228.380 1.659 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1NC[C@H]1CCCCC[NH2+]1 ZINC000902481392 584623962 /nfs/dbraw/zinc/62/39/62/584623962.db2.gz CHURUNYUEPNJTD-JHJVBQTASA-N 2 0 225.380 1.106 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H]1CCCCC[NH2+]1 ZINC000902481555 584624239 /nfs/dbraw/zinc/62/42/39/584624239.db2.gz DNLAGBIHEFVJJF-MCIONIFRSA-N 2 0 239.407 1.496 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)[C@@H]1CCOC1 ZINC000902482473 584624248 /nfs/dbraw/zinc/62/42/48/584624248.db2.gz LPNUVOPDUOEEKB-RDBSUJKOSA-N 2 0 240.391 1.923 20 0 BDADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H]2C2CCC2)C1 ZINC000902484189 584624533 /nfs/dbraw/zinc/62/45/33/584624533.db2.gz FJVAJHHVEMSSOJ-JHEVNIALSA-N 2 0 208.349 1.892 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1NC[C@H]1CCCCC[NH2+]1 ZINC000902484207 584624984 /nfs/dbraw/zinc/62/49/84/584624984.db2.gz UPMUIAACJYQEQQ-MGPQQGTHSA-N 2 0 239.407 1.768 20 0 BDADRP Cc1cc([C@@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)nn1C ZINC000902485716 584625458 /nfs/dbraw/zinc/62/54/58/584625458.db2.gz MYLQRUUNSDZLIJ-GMTAPVOTSA-N 2 0 222.336 1.116 20 0 BDADRP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902488413 584626777 /nfs/dbraw/zinc/62/67/77/584626777.db2.gz YAPLOFQBJXFVKL-ZDEQEGDKSA-N 2 0 240.391 1.907 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)[C@@H](C)C1 ZINC000902487730 584626794 /nfs/dbraw/zinc/62/67/94/584626794.db2.gz LXASAWKBOPQVPJ-CYDGBPFRSA-N 3 0 225.380 1.044 20 0 BDADRP CC(C)O[C@H]1C[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C1(C)C ZINC000902487842 584626826 /nfs/dbraw/zinc/62/68/26/584626826.db2.gz VAELXHPHNYWDAR-CYDGBPFRSA-N 2 0 240.391 1.905 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C/C=C/Cl ZINC000902517977 584630247 /nfs/dbraw/zinc/63/02/47/584630247.db2.gz JNTRJKABXSEWSA-SGRBOOSSSA-N 2 0 206.717 1.082 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000902517015 584630391 /nfs/dbraw/zinc/63/03/91/584630391.db2.gz GCGMTLMIKICLBZ-NMFUWQPSSA-N 2 0 246.354 1.362 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1COC[C@@H]1C1CC1 ZINC000902521416 584631207 /nfs/dbraw/zinc/63/12/07/584631207.db2.gz SOJURVIYBDHFEG-RNJOBUHISA-N 2 0 224.348 1.128 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C/C=C\Cl ZINC000902519816 584631665 /nfs/dbraw/zinc/63/16/65/584631665.db2.gz MPYYZVSFUWELAF-WYCCQELTSA-N 2 0 202.729 1.717 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@H]1COC[C@@H]1C1CC1 ZINC000902522109 584632144 /nfs/dbraw/zinc/63/21/44/584632144.db2.gz WKDCMRFKUZVPPI-MQYQWHSLSA-N 2 0 238.375 1.661 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCN2C)[C@H](C)C1 ZINC000903321606 584746784 /nfs/dbraw/zinc/74/67/84/584746784.db2.gz AXOQWOHIYNEDNS-UPJWGTAASA-N 2 0 225.380 1.010 20 0 BDADRP CN1CC[C@H]1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000903324043 584747397 /nfs/dbraw/zinc/74/73/97/584747397.db2.gz UDKWVXYFPSTWJA-ZDUSSCGKSA-N 2 0 239.407 1.543 20 0 BDADRP C([C@H]1CCC[NH2+]1)[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000903441426 584763825 /nfs/dbraw/zinc/76/38/25/584763825.db2.gz RPMHWGHIFJKOQQ-JHJVBQTASA-N 2 0 224.348 1.239 20 0 BDADRP c1ccc2c(c1)C[NH2+]CCN2C[C@H]1CCC[NH2+]1 ZINC000903422438 584764511 /nfs/dbraw/zinc/76/45/11/584764511.db2.gz CSVHNHFFRIPYIL-CYBMUJFWSA-N 2 0 231.343 1.348 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903425016 584764918 /nfs/dbraw/zinc/76/49/18/584764918.db2.gz ORIBUMJJWUTFKB-NDBYEHHHSA-N 3 0 225.380 1.173 20 0 BDADRP C[C@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H]1CN ZINC000903424826 584764940 /nfs/dbraw/zinc/76/49/40/584764940.db2.gz HYVDZQLRGNEJAK-RNJOBUHISA-N 2 0 225.380 1.173 20 0 BDADRP C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1CCC([NH3+])CC1 ZINC000903424750 584765025 /nfs/dbraw/zinc/76/50/25/584765025.db2.gz DUBOXQQKUVOQQK-IGJPJIBNSA-N 3 0 225.380 1.316 20 0 BDADRP C[C@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H]1CC[NH3+] ZINC000903461186 584766520 /nfs/dbraw/zinc/76/65/20/584766520.db2.gz OWEMMNFNNWDYCU-CRWXNKLISA-N 3 0 239.407 1.563 20 0 BDADRP C[C@H]1C[C@@H](N(C)C[C@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000903443658 584768890 /nfs/dbraw/zinc/76/88/90/584768890.db2.gz GVIKJUQCPQAIRC-XQQFMLRXSA-N 2 0 225.380 1.153 20 0 BDADRP CCC[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1CC[NH2+]CC1 ZINC000903446181 584769892 /nfs/dbraw/zinc/76/98/92/584769892.db2.gz UQILNYRZFQUOMJ-OLZOCXBDSA-N 3 0 239.407 1.578 20 0 BDADRP CC[N@H+](C)C[C@H]1CCN(C[C@H]2CCC[NH2+]2)C1 ZINC000903445981 584770104 /nfs/dbraw/zinc/77/01/04/584770104.db2.gz QDHILHFFOYIXGR-CHWSQXEVSA-N 2 0 225.380 1.012 20 0 BDADRP C[C@@H](c1ncccn1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000903447119 584770770 /nfs/dbraw/zinc/77/07/70/584770770.db2.gz FTSVTNDBOPPJSO-LBPRGKRZSA-N 2 0 246.358 1.613 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@H]1[NH3+] ZINC000903450458 584772344 /nfs/dbraw/zinc/77/23/44/584772344.db2.gz WIKXCGXXXUFBCJ-FVCCEPFGSA-N 3 0 225.380 1.173 20 0 BDADRP C([C@H]1CCC[NH2+]1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000903453637 584772813 /nfs/dbraw/zinc/77/28/13/584772813.db2.gz GHRWTBKNPLLUBO-RDBSUJKOSA-N 2 0 237.391 1.345 20 0 BDADRP OC[C@@H]1CCC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903453931 584772815 /nfs/dbraw/zinc/77/28/15/584772815.db2.gz PSIGTKKJJFQDGE-AWEZNQCLSA-N 2 0 246.354 1.289 20 0 BDADRP CC(C)OCCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903470219 584774915 /nfs/dbraw/zinc/77/49/15/584774915.db2.gz IGCBQVWQPVZDEE-GFCCVEGCSA-N 2 0 226.364 1.676 20 0 BDADRP [NH3+]CCCCCCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903472183 584776408 /nfs/dbraw/zinc/77/64/08/584776408.db2.gz XMPJGKXNQIXRCL-ZDUSSCGKSA-N 3 0 239.407 1.770 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)C1 ZINC000903475762 584776589 /nfs/dbraw/zinc/77/65/89/584776589.db2.gz CIGKQYODIXJFSE-QNWHQSFQSA-N 2 0 240.416 1.799 20 0 BDADRP COC[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)C(C)C ZINC000903482588 584778623 /nfs/dbraw/zinc/77/86/23/584778623.db2.gz LVQKGBYORNJOGJ-SDDRHHMPSA-N 2 0 228.380 1.620 20 0 BDADRP C[C@@H]1CC[C@H](C[NH3+])N(C[C@H]2CCC[NH2+]2)[C@H]1C ZINC000903482773 584779032 /nfs/dbraw/zinc/77/90/32/584779032.db2.gz SBXBWVLUGMUXRQ-YVECIDJPSA-N 2 0 225.380 1.186 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2C[C@@]23CCOC3)C[C@H]1CC[NH3+] ZINC000903499331 584780004 /nfs/dbraw/zinc/78/00/04/584780004.db2.gz RGMYHWLZVJEYLH-YIYPIFLZSA-N 2 0 238.375 1.330 20 0 BDADRP CCC[NH+](CCC)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903716700 584791984 /nfs/dbraw/zinc/79/19/84/584791984.db2.gz BXVMRNPOBTXELZ-ZIAGYGMSSA-N 2 0 240.391 1.877 20 0 BDADRP C[N@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CCCC1 ZINC000903717952 584792527 /nfs/dbraw/zinc/79/25/27/584792527.db2.gz GKDUGBOBMJOXBM-UONOGXRCSA-N 2 0 238.375 1.629 20 0 BDADRP CC[C@H](C)C[N@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903729001 584792951 /nfs/dbraw/zinc/79/29/51/584792951.db2.gz JCQOLCQXGZGEJH-BFHYXJOUSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903729256 584793253 /nfs/dbraw/zinc/79/32/53/584793253.db2.gz LKKPECOGYCNSCE-FRRDWIJNSA-N 2 0 224.348 1.239 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCCN(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903715875 584794227 /nfs/dbraw/zinc/79/42/27/584794227.db2.gz BBDQNLABSKWBAP-MJBXVCDLSA-N 2 0 239.407 1.435 20 0 BDADRP C[NH2+]CC1CC[NH+](C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903715877 584794427 /nfs/dbraw/zinc/79/44/27/584794427.db2.gz BDJQOBAUOYMOKG-AWEZNQCLSA-N 3 0 239.407 1.308 20 0 BDADRP C([C@H]1CCCC[NH2+]C1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000903749872 584794643 /nfs/dbraw/zinc/79/46/43/584794643.db2.gz RCZOBEAFQUGRRI-IHRRRGAJSA-N 2 0 237.391 1.060 20 0 BDADRP C([C@H]1CCCC[NH2+]C1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000903749319 584795024 /nfs/dbraw/zinc/79/50/24/584795024.db2.gz IJJBCDCCKKHSNF-MELADBBJSA-N 2 0 237.391 1.060 20 0 BDADRP C[C@@H]1CN(C[C@H]2CCCC[NH2+]C2)[C@@H](C)C[N@@H+]1C ZINC000903752434 584795315 /nfs/dbraw/zinc/79/53/15/584795315.db2.gz NVSLYWLYIMTIPO-RDBSUJKOSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000903744482 584796596 /nfs/dbraw/zinc/79/65/96/584796596.db2.gz TYJQUUQOMGZWGY-AVGNSLFASA-N 2 0 225.380 1.045 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCN(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903744486 584796708 /nfs/dbraw/zinc/79/67/08/584796708.db2.gz TYJQUUQOMGZWGY-YNEHKIRRSA-N 2 0 225.380 1.045 20 0 BDADRP CC(=O)C1CC[NH+](C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903780882 584799697 /nfs/dbraw/zinc/79/96/97/584799697.db2.gz NAHCBHBUKHINLK-CYBMUJFWSA-N 2 0 238.375 1.677 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCC[NH2+]C2)C[C@H]1CC[NH3+] ZINC000903784721 584800245 /nfs/dbraw/zinc/80/02/45/584800245.db2.gz QOBGCRWBTITSFO-MGPQQGTHSA-N 3 0 239.407 1.293 20 0 BDADRP C[N@H+](CCCF)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903783825 584800378 /nfs/dbraw/zinc/80/03/78/584800378.db2.gz DZQQALHCGZOBTO-GFCCVEGCSA-N 2 0 244.354 1.437 20 0 BDADRP CC[C@H](C)C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903815671 584800663 /nfs/dbraw/zinc/80/06/63/584800663.db2.gz ONAZAEIVYLCDAR-ZDUSSCGKSA-N 2 0 240.391 1.877 20 0 BDADRP [NH3+]CCCCCCN1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903802076 584802344 /nfs/dbraw/zinc/80/23/44/584802344.db2.gz QXRHKQMLCQDAIF-KGLIPLIRSA-N 2 0 239.407 1.709 20 0 BDADRP [NH3+]C[C@]12CC[C@H]1CCCN2C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903805947 584802709 /nfs/dbraw/zinc/80/27/09/584802709.db2.gz SLGIZWQCPHAZBS-YIYPIFLZSA-N 2 0 237.391 1.317 20 0 BDADRP CCC[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903812932 584803283 /nfs/dbraw/zinc/80/32/83/584803283.db2.gz BIJHLDDVDFAJTJ-UHFFFAOYSA-N 2 0 212.337 1.241 20 0 BDADRP C[C@@H](O)C[N@@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903810329 584803587 /nfs/dbraw/zinc/80/35/87/584803587.db2.gz BAJHZAIDODHXOU-VXGBXAGGSA-N 2 0 226.364 1.351 20 0 BDADRP C[C@]12C[N@H+](C[C@@H]3CC[NH2+]C3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000903825707 584804459 /nfs/dbraw/zinc/80/44/59/584804459.db2.gz CUIKJJPYVSEFSO-QKGCVVFFSA-N 2 0 234.387 1.964 20 0 BDADRP C[NH2+]CCC[N@@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1 ZINC000903825603 584804637 /nfs/dbraw/zinc/80/46/37/584804637.db2.gz ARFOAYRFLVPDON-RQJABVFESA-N 2 0 222.376 1.964 20 0 BDADRP C[C@@H]1CCOCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000903831666 584805966 /nfs/dbraw/zinc/80/59/66/584805966.db2.gz MCMAOULHDKYATA-VXGBXAGGSA-N 2 0 212.337 1.097 20 0 BDADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H]1C[C@]13CCOC3)C2 ZINC000903838265 584806453 /nfs/dbraw/zinc/80/64/53/584806453.db2.gz AWPCUMPWGGZNDB-HPCHECBXSA-N 2 0 236.359 1.225 20 0 BDADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@H]1CCCC[NH2+]C1)C2 ZINC000903838776 584806623 /nfs/dbraw/zinc/80/66/23/584806623.db2.gz FAXJJCGWFBCCPM-FQUUOJAGSA-N 3 0 237.391 1.188 20 0 BDADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H]1CCCC[NH2+]C1)C2 ZINC000903838778 584807370 /nfs/dbraw/zinc/80/73/70/584807370.db2.gz FAXJJCGWFBCCPM-RQJABVFESA-N 3 0 237.391 1.188 20 0 BDADRP COC[C@@H](C[N@@H+]1CCC[C@@]12CC[NH2+]C2)C(C)C ZINC000903869271 584814622 /nfs/dbraw/zinc/81/46/22/584814622.db2.gz FTKWEVVAULZXBN-KGLIPLIRSA-N 2 0 240.391 1.733 20 0 BDADRP [NH3+]CCCN1CCCc2cc(CC[NH3+])ccc21 ZINC000903870450 584814861 /nfs/dbraw/zinc/81/48/61/584814861.db2.gz HSKKZFULRSMXII-UHFFFAOYSA-N 2 0 233.359 1.289 20 0 BDADRP COC(=O)CCCCN1CCC[C@@]12CC[NH2+]C2 ZINC000903871396 584815595 /nfs/dbraw/zinc/81/55/95/584815595.db2.gz UAEXBVIRJCMWQW-ZDUSSCGKSA-N 2 0 240.347 1.158 20 0 BDADRP C[C@H]1NCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1C ZINC000903873944 584815876 /nfs/dbraw/zinc/81/58/76/584815876.db2.gz OOMCYSUWHZMISF-DUJLVANISA-N 2 0 237.391 1.199 20 0 BDADRP C[C@@H]1CCCN(C[C@@H]([NH3+])CC(F)F)[C@H]1C[NH3+] ZINC000903873267 584816014 /nfs/dbraw/zinc/81/60/14/584816014.db2.gz GBVANGMTWJAYAX-UTLUCORTSA-N 2 0 235.322 1.028 20 0 BDADRP CC(C)[C@@H]([NH3+])CCN(C)C[C@H]([NH3+])CC(F)F ZINC000903873630 584816068 /nfs/dbraw/zinc/81/60/68/584816068.db2.gz JSPWIPZNUYIEPL-ZJUUUORDSA-N 2 0 237.338 1.274 20 0 BDADRP C[C@@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@@H]1[NH3+] ZINC000903873749 584816209 /nfs/dbraw/zinc/81/62/09/584816209.db2.gz MDMGLMMFRIVLEY-JWURUJNWSA-N 3 0 237.391 1.186 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCCCN1C[C@@H]([NH3+])CC(F)F ZINC000903873346 584816245 /nfs/dbraw/zinc/81/62/45/584816245.db2.gz HMNGRMPFDHVOBC-GUBZILKMSA-N 2 0 235.322 1.171 20 0 BDADRP CC(C)[N@H+](CCO)Cc1cccc2c1CC[NH2+]C2 ZINC000903877342 584816765 /nfs/dbraw/zinc/81/67/65/584816765.db2.gz MKCZRBWFBURBRH-UHFFFAOYSA-N 2 0 248.370 1.535 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCOC[C@@]1(C)C1CC1 ZINC000903882618 584818548 /nfs/dbraw/zinc/81/85/48/584818548.db2.gz QJKFHDGBOFRIGE-DYEKYZERSA-N 2 0 238.375 1.343 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903885913 584819080 /nfs/dbraw/zinc/81/90/80/584819080.db2.gz LYMOUANEEFEYDR-NEPJUHHUSA-N 2 0 249.362 1.044 20 0 BDADRP C[C@H](O)C[C@@H]1CCCN1C[C@H]([NH3+])CC(F)F ZINC000903896992 584819949 /nfs/dbraw/zinc/81/99/49/584819949.db2.gz XBZWMDLKJVWKMF-AEJSXWLSSA-N 2 0 236.306 1.204 20 0 BDADRP CC[N@H+](C)C[C@H]1CCN(C[C@@H]([NH3+])CC(F)F)C1 ZINC000903897965 584819987 /nfs/dbraw/zinc/81/99/87/584819987.db2.gz KTOIHFDSWJFSSV-MNOVXSKESA-N 2 0 249.349 1.243 20 0 BDADRP CC[N@H+](CCCO)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903910001 584821490 /nfs/dbraw/zinc/82/14/90/584821490.db2.gz ZLDKYQXCLTVLIN-YHWZYXNKSA-N 2 0 226.364 1.221 20 0 BDADRP CC1(C)C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1O ZINC000903914035 584822779 /nfs/dbraw/zinc/82/27/79/584822779.db2.gz SUIVWGSDTBKEHE-WVMKXHBISA-N 2 0 238.375 1.220 20 0 BDADRP CC[C@@H]1C[C@@H](C[NH2+]CCC(C)(C)[NH3+])CCO1 ZINC000903939181 584822863 /nfs/dbraw/zinc/82/28/63/584822863.db2.gz SXZKUJBQOHUALU-NWDGAFQWSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903921017 584822990 /nfs/dbraw/zinc/82/29/90/584822990.db2.gz ZWVQSWXURXXACD-APYLGABCSA-N 3 0 237.391 1.105 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC000903920405 584823152 /nfs/dbraw/zinc/82/31/52/584823152.db2.gz UPWIWZKKMSGTJM-IUKMKKQMSA-N 3 0 237.391 1.247 20 0 BDADRP C[C@@H](CC[NH3+])[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903919021 584823265 /nfs/dbraw/zinc/82/32/65/584823265.db2.gz KLEMLQBOBUGPCM-NSHDSACASA-N 3 0 233.359 1.159 20 0 BDADRP [NH3+][C@@H](C[NH2+]CCc1cccs1)CC(F)F ZINC000903925461 584823454 /nfs/dbraw/zinc/82/34/54/584823454.db2.gz NGRYBBQBNCIYAV-MRVPVSSYSA-N 2 0 234.315 1.863 20 0 BDADRP CC[C@@H](C)[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903925836 584823743 /nfs/dbraw/zinc/82/37/43/584823743.db2.gz HSRLMXPPVXWRKV-GHMZBOCLSA-N 2 0 237.351 1.091 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903932996 584824788 /nfs/dbraw/zinc/82/47/88/584824788.db2.gz JIYDWGRGPMFVIN-WTUNAVPPSA-N 3 0 239.407 1.480 20 0 BDADRP Cc1c(C[C@H](C[NH3+])C[NH2+][C@H]2C=CCC2)cnn1C ZINC000903933317 584824972 /nfs/dbraw/zinc/82/49/72/584824972.db2.gz OVBURYZDIWQIQE-OCCSQVGLSA-N 2 0 248.374 1.154 20 0 BDADRP [NH3+]C[C@]12CCC[C@H]1CN(C[C@H]([NH3+])CC(F)F)C2 ZINC000903931992 584825011 /nfs/dbraw/zinc/82/50/11/584825011.db2.gz KUQNWFRZHYGGGO-UMNHJUIQSA-N 2 0 247.333 1.030 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903931995 584825181 /nfs/dbraw/zinc/82/51/81/584825181.db2.gz KXAUTRANNGGSIF-IUKMKKQMSA-N 2 0 237.391 1.329 20 0 BDADRP C[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(C)(C)N ZINC000903933245 584825220 /nfs/dbraw/zinc/82/52/20/584825220.db2.gz NACSIAPIGUUCCB-YOGCLGLASA-N 3 0 225.380 1.186 20 0 BDADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903938012 584826335 /nfs/dbraw/zinc/82/63/35/584826335.db2.gz XKPZVCDIFPLJSY-SCXOTVEISA-N 3 0 249.402 1.058 20 0 BDADRP [NH3+]C[C@@H](NCc1cccc2c1CC[NH2+]C2)C1CC1 ZINC000903918037 584826776 /nfs/dbraw/zinc/82/67/76/584826776.db2.gz QRNLOBRBSKBHME-OAHLLOKOSA-N 3 0 245.370 1.159 20 0 BDADRP COC[C@@H](C)C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903959907 584827566 /nfs/dbraw/zinc/82/75/66/584827566.db2.gz RPMCFGJTLHBBJR-KBPBESRZSA-N 2 0 240.391 1.735 20 0 BDADRP CCC1([NH3+])CCN([C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000903948533 584830155 /nfs/dbraw/zinc/83/01/55/584830155.db2.gz QDEYKXIZFKUMOS-NWDGAFQWSA-N 2 0 225.380 1.460 20 0 BDADRP CCn1nccc1C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903975156 584832663 /nfs/dbraw/zinc/83/26/63/584832663.db2.gz YPIQWFSISZOTEQ-VXGBXAGGSA-N 2 0 236.363 1.238 20 0 BDADRP CCn1cc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cn1 ZINC000903974221 584832666 /nfs/dbraw/zinc/83/26/66/584832666.db2.gz MDXSQLHNKMNBMO-DGCLKSJQSA-N 2 0 236.363 1.238 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccn(C)c2)C[C@H]1CC[NH3+] ZINC000903978514 584832910 /nfs/dbraw/zinc/83/29/10/584832910.db2.gz OSPQTDVQYZDBAZ-DGCLKSJQSA-N 2 0 221.348 1.442 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000903978247 584833004 /nfs/dbraw/zinc/83/30/04/584833004.db2.gz BXRYMSSZEPJSLM-AAVRWANBSA-N 3 0 239.407 1.210 20 0 BDADRP C[C@H]1C[C@@H](C[NH2+][C@@H]2CCO[C@H]2C2CC2)CC[NH2+]1 ZINC000903986780 584835375 /nfs/dbraw/zinc/83/53/75/584835375.db2.gz RYDCMORXJFRICN-VTPLQMEGSA-N 2 0 238.375 1.532 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H](N)C(C)(C)C2)CC[NH2+]1 ZINC000903987034 584835379 /nfs/dbraw/zinc/83/53/79/584835379.db2.gz XBBQLRXBOXQKLX-IJLUTSLNSA-N 2 0 225.380 1.044 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCCN(C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904299856 584860486 /nfs/dbraw/zinc/86/04/86/584860486.db2.gz PSGRBYCAENFMGN-MJBXVCDLSA-N 2 0 239.407 1.435 20 0 BDADRP [NH3+][C@H]1C[C@@H](CN2CCCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000904299959 584860511 /nfs/dbraw/zinc/86/05/11/584860511.db2.gz SJKRLNWBYZLNRD-RQJABVFESA-N 2 0 237.391 1.330 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CN1CCC[C@@H](C[NH3+])C1 ZINC000904300026 584860653 /nfs/dbraw/zinc/86/06/53/584860653.db2.gz UNVURRBJWGVIFW-QWHCGFSZSA-N 2 0 241.423 1.811 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CN1CCC[C@H](C[NH3+])C1 ZINC000904300025 584860786 /nfs/dbraw/zinc/86/07/86/584860786.db2.gz UNVURRBJWGVIFW-OLZOCXBDSA-N 2 0 241.423 1.811 20 0 BDADRP [NH3+][C@H]1C[C@@H](CN2CCCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000904299957 584860942 /nfs/dbraw/zinc/86/09/42/584860942.db2.gz SJKRLNWBYZLNRD-CRWXNKLISA-N 2 0 237.391 1.330 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CN1CCC[C@@H](CO)C1 ZINC000904301318 584861094 /nfs/dbraw/zinc/86/10/94/584861094.db2.gz KKNKHZYJAODIIU-OLZOCXBDSA-N 2 0 242.407 1.844 20 0 BDADRP C[NH2+][C@@H]1CCCN(C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC000904300216 584861097 /nfs/dbraw/zinc/86/10/97/584861097.db2.gz ZAYIVUCNBVNHQI-CHWSQXEVSA-N 2 0 241.423 1.824 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@H+](CCO)C2CCCCC2)C1 ZINC000904301982 584862090 /nfs/dbraw/zinc/86/20/90/584862090.db2.gz QWAUTHKAIVYAQN-TXEJJXNPSA-N 2 0 226.364 1.351 20 0 BDADRP CC[N@H+](C[C@@H]1CCOC1)C[C@]1(C)CCC[NH2+]C1 ZINC000904310018 584862988 /nfs/dbraw/zinc/86/29/88/584862988.db2.gz UVZBZHNELGPPLF-UONOGXRCSA-N 2 0 240.391 1.735 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000904322568 584864604 /nfs/dbraw/zinc/86/46/04/584864604.db2.gz DEKZSFLLCSPWAS-FQUUOJAGSA-N 3 0 239.407 1.386 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCc3ccccc3[C@@H]2CO)C1 ZINC000904322302 584864840 /nfs/dbraw/zinc/86/48/40/584864840.db2.gz VXGJNXBLERISIA-LNSITVRQSA-N 2 0 246.354 1.315 20 0 BDADRP C[N@H+](CC1(CO)CC1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904338816 584864864 /nfs/dbraw/zinc/86/48/64/584864864.db2.gz VEENIBCGMQMEBP-LBPRGKRZSA-N 2 0 226.364 1.080 20 0 BDADRP CCOC(=O)C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CCC1 ZINC000904342409 584867121 /nfs/dbraw/zinc/86/71/21/584867121.db2.gz GUMJNBAPCFHKIY-PHIMTYICSA-N 2 0 240.347 1.141 20 0 BDADRP CN(C[C@@H]([NH3+])CCC(C)(C)C)C1(C[NH3+])CCC1 ZINC000904351116 584869265 /nfs/dbraw/zinc/86/92/65/584869265.db2.gz VFDPQFVCIUYQJP-LBPRGKRZSA-N 2 0 241.423 1.953 20 0 BDADRP C[C@@H]1CN(C[C@@H]([NH3+])CCC(C)(C)C)[C@@H](C)C[NH2+]1 ZINC000904351151 584869536 /nfs/dbraw/zinc/86/95/36/584869536.db2.gz VCERXRPGVWUNMK-AGIUHOORSA-N 2 0 241.423 1.822 20 0 BDADRP [NH3+]Cc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000904351011 584869600 /nfs/dbraw/zinc/86/96/00/584869600.db2.gz UAJORCTWLQDFQW-OAHLLOKOSA-N 3 0 245.370 1.331 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CNC[C@@H]1CCC[NH2+]C1 ZINC000904353442 584869707 /nfs/dbraw/zinc/86/97/07/584869707.db2.gz MUQVJDWINHSPSG-OLZOCXBDSA-N 3 0 241.423 1.729 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CNC[C@@H]1CCC[NH2+]C1 ZINC000904353441 584869934 /nfs/dbraw/zinc/86/99/34/584869934.db2.gz MUQVJDWINHSPSG-CHWSQXEVSA-N 3 0 241.423 1.729 20 0 BDADRP c1cn(C2CC2)c(CNC[C@H]2CCC[NH2+]C2)n1 ZINC000904353450 584869954 /nfs/dbraw/zinc/86/99/54/584869954.db2.gz NCSMWMBMVRBQSW-NSHDSACASA-N 2 0 234.347 1.307 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CNC[C@@H]([NH3+])C1CC1 ZINC000904354547 584870531 /nfs/dbraw/zinc/87/05/31/584870531.db2.gz CCXVELUJWLDGOG-NWDGAFQWSA-N 2 0 227.396 1.467 20 0 BDADRP C[C@]1(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000904355616 584871298 /nfs/dbraw/zinc/87/12/98/584871298.db2.gz UWHQHEUYQXNNAM-AVGNSLFASA-N 3 0 225.380 1.093 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1nccn1C1CC1 ZINC000904356001 584871512 /nfs/dbraw/zinc/87/15/12/584871512.db2.gz ZHXAZDHVIDEDNI-NSHDSACASA-N 2 0 236.363 1.825 20 0 BDADRP Cc1ccccc1CC[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904360697 584872007 /nfs/dbraw/zinc/87/20/07/584872007.db2.gz OIELSZATRAJNIB-XBXGTLAGSA-N 2 0 218.344 1.864 20 0 BDADRP Cc1noc(C)c1CC[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904361873 584872071 /nfs/dbraw/zinc/87/20/71/584872071.db2.gz AKPFYVPFOWOSPN-PHIMTYICSA-N 2 0 223.320 1.161 20 0 BDADRP C[N@@H+]1CCN(C[C@H]2C[C@@H]([NH3+])C2)c2ccccc2C1 ZINC000904369047 584872650 /nfs/dbraw/zinc/87/26/50/584872650.db2.gz QNKMETKUNVSVPH-XBXGTLAGSA-N 2 0 245.370 1.676 20 0 BDADRP Cc1nn(C)cc1[C@@H](C)[NH2+]C1CC(C[NH3+])C1 ZINC000904368243 584872829 /nfs/dbraw/zinc/87/28/29/584872829.db2.gz OXKPVOYHTHMEDR-MFAVDMRSSA-N 2 0 222.336 1.116 20 0 BDADRP [NH3+]CCN1CCC([NH2+]CC2CCCCC2)CC1 ZINC000904368448 584872860 /nfs/dbraw/zinc/87/28/60/584872860.db2.gz RPMZHFVSLAHBDP-UHFFFAOYSA-N 2 0 239.407 1.579 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2ccc(C[NH3+])cc2)C[C@@H]1C[NH3+] ZINC000904372217 584873347 /nfs/dbraw/zinc/87/33/47/584873347.db2.gz ZSSIOLDTMIPQMQ-DOMZBBRYSA-N 3 0 247.386 1.562 20 0 BDADRP C[NH+](C)C1CCC([NH2+]Cc2ccc(N)nn2)CC1 ZINC000904373170 584873881 /nfs/dbraw/zinc/87/38/81/584873881.db2.gz MBSZBZTYAPBPNY-UHFFFAOYSA-N 2 0 249.362 1.021 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@@H](c3cccnc3)C2)C1 ZINC000904373374 584873885 /nfs/dbraw/zinc/87/38/85/584873885.db2.gz DBCUUVZTJPIXBE-BNOWGMLFSA-N 2 0 231.343 1.608 20 0 BDADRP CCC(CC)[C@@H](O)C[NH2+]C1CC(C[NH3+])C1 ZINC000904363722 584874438 /nfs/dbraw/zinc/87/44/38/584874438.db2.gz MONGGNQTJNGAFE-NHNAUAITSA-N 2 0 214.353 1.110 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+]Cc2ccc(F)cc2F)C1 ZINC000904364632 584874867 /nfs/dbraw/zinc/87/48/67/584874867.db2.gz ZUSFTAJSMQKYBR-DKTWLAJQSA-N 2 0 226.270 1.792 20 0 BDADRP C[C@@]1(C[NH+]2CCC(CC[NH3+])CC2)CCC[NH2+]C1 ZINC000904375588 584875536 /nfs/dbraw/zinc/87/55/36/584875536.db2.gz CGNXYSYUSRREFF-CQSZACIVSA-N 3 0 239.407 1.437 20 0 BDADRP C[C@H](Cc1ccccn1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904376290 584875842 /nfs/dbraw/zinc/87/58/42/584875842.db2.gz OHOZUQWXRWSLHC-UTUOFQBUSA-N 2 0 219.332 1.340 20 0 BDADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(C[NH3+])cc1 ZINC000904376506 584876153 /nfs/dbraw/zinc/87/61/53/584876153.db2.gz UVNDMPQARZSZDY-SMDDNHRTSA-N 3 0 233.359 1.457 20 0 BDADRP C[C@]1(CN2CCCCC[C@@H]([NH3+])C2)CCC[NH2+]C1 ZINC000904381221 584876856 /nfs/dbraw/zinc/87/68/56/584876856.db2.gz LSNBHAFAVCNWCU-KGLIPLIRSA-N 2 0 239.407 1.579 20 0 BDADRP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC000904383990 584877281 /nfs/dbraw/zinc/87/72/81/584877281.db2.gz GEGXQPAFVWHFFW-GXTWGEPZSA-N 3 0 239.407 1.354 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC(CCF)CC2)C1 ZINC000904385423 584877883 /nfs/dbraw/zinc/87/78/83/584877883.db2.gz YIPCTDCMWIMQTJ-TXEJJXNPSA-N 2 0 214.328 1.795 20 0 BDADRP CC[C@@H]1C[C@H](C[N@@H+]2CC[C@H](CC[NH3+])C2)CCO1 ZINC000904406707 584878675 /nfs/dbraw/zinc/87/86/75/584878675.db2.gz UVQAVZKYCACSIF-BFHYXJOUSA-N 2 0 240.391 1.862 20 0 BDADRP CC(C)[C@H](C[NH3+])C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000904410599 584879020 /nfs/dbraw/zinc/87/90/20/584879020.db2.gz PNOLQIMAPLSHCG-YNEHKIRRSA-N 3 0 227.396 1.134 20 0 BDADRP C[C@]1(C[N@@H+]2CC[C@H](CC[NH3+])C2)CCC[NH2+]C1 ZINC000904407288 584879166 /nfs/dbraw/zinc/87/91/66/584879166.db2.gz SKUZCIDWLMVHEF-STQMWFEESA-N 3 0 225.380 1.047 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CCSC2)CC[C@@H]1C[NH3+] ZINC000904410924 584879199 /nfs/dbraw/zinc/87/91/99/584879199.db2.gz RSKDDXOKMPUQJV-IJLUTSLNSA-N 2 0 228.405 1.656 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)CC[NH2+]1 ZINC000904410234 584879349 /nfs/dbraw/zinc/87/93/49/584879349.db2.gz MUUJLJBOKGZTPL-REWJHTLYSA-N 3 0 239.407 1.291 20 0 BDADRP CCn1ccnc1C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000904412672 584879496 /nfs/dbraw/zinc/87/94/96/584879496.db2.gz WBSWLOUWKMDOSK-NEPJUHHUSA-N 2 0 236.363 1.320 20 0 BDADRP COC[C@H](C)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000904411319 584879754 /nfs/dbraw/zinc/87/97/54/584879754.db2.gz UMHHBDUGLWBDON-UTUOFQBUSA-N 2 0 214.353 1.186 20 0 BDADRP Cc1ccc(O)c(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000904412929 584879842 /nfs/dbraw/zinc/87/98/42/584879842.db2.gz ZKDVZUGUQGZCPL-PWSUYJOCSA-N 2 0 249.358 1.512 20 0 BDADRP C[C@H]1C[N@H+](CC2=CCCOC2)CC[C@@H]1C[NH3+] ZINC000904411265 584879923 /nfs/dbraw/zinc/87/99/23/584879923.db2.gz SZVDQIVDSLEWKE-WCQYABFASA-N 2 0 224.348 1.250 20 0 BDADRP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420175 584881968 /nfs/dbraw/zinc/88/19/68/584881968.db2.gz FONRKCDTUKBYJQ-OLMTUDMXSA-N 3 0 249.402 1.058 20 0 BDADRP C[C@H](CO)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000815144945 584972992 /nfs/dbraw/zinc/97/29/92/584972992.db2.gz SMEFJXKFHXDXSE-QWHCGFSZSA-N 2 0 226.364 1.033 20 0 BDADRP Cc1ccc([C@@H](O)C[NH2+][C@@H](C)CCCC[NH3+])o1 ZINC000817911978 584991071 /nfs/dbraw/zinc/99/10/71/584991071.db2.gz CZGXSEZCINOYGQ-JQWIXIFHSA-N 2 0 240.347 1.729 20 0 BDADRP CC[C@@H](NCC[N@@H+]1CCC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000817914157 584991227 /nfs/dbraw/zinc/99/12/27/584991227.db2.gz UKRBKMCJWHDPAS-MCIONIFRSA-N 2 0 239.407 1.591 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)C2CC2)C[C@H]1C ZINC000838863811 585075860 /nfs/dbraw/zinc/07/58/60/585075860.db2.gz QCQZZJACCVALTD-KWCYVHTRSA-N 2 0 240.391 1.562 20 0 BDADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)C2CC2)C1 ZINC000838864221 585075948 /nfs/dbraw/zinc/07/59/48/585075948.db2.gz GXFOKTDAYLNRTP-JSGCOSHPSA-N 2 0 240.391 1.421 20 0 BDADRP CC[N@@H+]1CC[C@H](N(C)CCF)C[C@@H]1C ZINC000759342293 585369020 /nfs/dbraw/zinc/36/90/20/585369020.db2.gz GUVJSPAATOGQIX-QWRGUYRKSA-N 2 0 202.317 1.761 20 0 BDADRP C[NH+](C)CC1CCN(CC[NH+]2CCCC2)CC1 ZINC000760819501 585398044 /nfs/dbraw/zinc/39/80/44/585398044.db2.gz SATJYLBEDOZCOX-UHFFFAOYSA-N 2 0 239.407 1.356 20 0 BDADRP CN(CC[NH+]1CCCC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000760842730 585399435 /nfs/dbraw/zinc/39/94/35/585399435.db2.gz ACSCSYOCLUUVSG-CQSZACIVSA-N 2 0 239.407 1.356 20 0 BDADRP CC[C@H]([NH2+]CCN1CCC[C@H]1C)[C@@H]1CCOC1 ZINC000766272014 585500333 /nfs/dbraw/zinc/50/03/33/585500333.db2.gz WYURLAKBHQILGH-MCIONIFRSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]1[C@H](C)[N@H+](C)CCN1CC[NH+]1CCCC1 ZINC000771458170 585594815 /nfs/dbraw/zinc/59/48/15/585594815.db2.gz CZBPWWOVAGVOTF-STQMWFEESA-N 2 0 225.380 1.107 20 0 BDADRP C[C@@H](C[NH2+][C@@H](C)CCO)C[NH+]1CCCC1 ZINC000779340697 585751877 /nfs/dbraw/zinc/75/18/77/585751877.db2.gz IZTPHCWBQQQRSB-RYUDHWBXSA-N 2 0 214.353 1.079 20 0 BDADRP C[C@H](CCO)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000779343365 585752104 /nfs/dbraw/zinc/75/21/04/585752104.db2.gz XGYDQHYVDNQNKY-UONOGXRCSA-N 2 0 242.407 1.859 20 0 BDADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CCO)C1 ZINC000779393283 585753017 /nfs/dbraw/zinc/75/30/17/585753017.db2.gz RCYUWICCVGJMTL-RYUDHWBXSA-N 2 0 214.353 1.079 20 0 BDADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)CCO)C1 ZINC000779411698 585753922 /nfs/dbraw/zinc/75/39/22/585753922.db2.gz GPKLMHJNPRJDIE-KBPBESRZSA-N 2 0 242.407 1.715 20 0 BDADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CC[C@H]2C)CC1 ZINC000783250218 585832133 /nfs/dbraw/zinc/83/21/33/585832133.db2.gz WRVFOFJDUCYYJV-CHWSQXEVSA-N 2 0 240.391 1.610 20 0 BDADRP Cc1cc([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)n(C)n1 ZINC000793549489 586022712 /nfs/dbraw/zinc/02/27/12/586022712.db2.gz XMBWCYXNNYVZMD-LBPRGKRZSA-N 2 0 248.374 1.641 20 0 BDADRP Cc1c[nH+]ccc1N1CC[NH+](CCCCO)CC1 ZINC000795100771 586068322 /nfs/dbraw/zinc/06/83/22/586068322.db2.gz LLGOSJDVCTUSBH-UHFFFAOYSA-N 2 0 249.358 1.285 20 0 BDADRP CC(C)[C@@H](C(=O)OCCC[NH+](C)C)[NH+](C)C ZINC000803496937 586362129 /nfs/dbraw/zinc/36/21/29/586362129.db2.gz QTSSVVDRFKNUDC-NSHDSACASA-N 2 0 230.352 1.068 20 0 BDADRP CCc1cc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])[nH]n1 ZINC000817893770 586833553 /nfs/dbraw/zinc/83/35/53/586833553.db2.gz VMWFPFLUSFWZLN-GXFFZTMASA-N 2 0 236.363 1.579 20 0 BDADRP CSCC[C@@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000817896624 586834650 /nfs/dbraw/zinc/83/46/50/586834650.db2.gz MKOBGKNOAKEIGD-GMTAPVOTSA-N 2 0 216.394 1.858 20 0 BDADRP CSC(C)(C)C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000817898217 586834911 /nfs/dbraw/zinc/83/49/11/586834911.db2.gz CIRWURWZUWGVEW-BDAKNGLRSA-N 2 0 202.367 1.597 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCc1ccc(Cl)nc1 ZINC000817902297 586835675 /nfs/dbraw/zinc/83/56/75/586835675.db2.gz MUMQQADOZOMEAO-NXEZZACHSA-N 2 0 241.766 1.993 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCc1ccc(Cl)nc1 ZINC000817902280 586836190 /nfs/dbraw/zinc/83/61/90/586836190.db2.gz MGWGVXCRMFCFIR-GHMZBOCLSA-N 2 0 239.750 1.747 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCNc1ccccc1 ZINC000817901951 586836343 /nfs/dbraw/zinc/83/63/43/586836343.db2.gz ZXHWQUMTVHPZMX-JSGCOSHPSA-N 2 0 233.359 1.816 20 0 BDADRP CC(C)C[C@H](O)C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000817906035 586836794 /nfs/dbraw/zinc/83/67/94/586836794.db2.gz SFEIRYYYQINATM-VWYCJHECSA-N 2 0 202.342 1.109 20 0 BDADRP CC(C)C[C@H](O)C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000817904124 586837076 /nfs/dbraw/zinc/83/70/76/586837076.db2.gz UZBGNCXUQDINIC-FRRDWIJNSA-N 2 0 228.380 1.371 20 0 BDADRP C[C@H](NCC[N@@H+]1CCC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000817912345 586837821 /nfs/dbraw/zinc/83/78/21/586837821.db2.gz GJFOLGAYJMAQTG-AGIUHOORSA-N 2 0 225.380 1.201 20 0 BDADRP CC1(O)CCC([NH2+][C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000817912521 586837932 /nfs/dbraw/zinc/83/79/32/586837932.db2.gz JRZKYUGHXNFGOB-CEUNDQEZSA-N 2 0 240.391 1.930 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@](C)(O)c1cccs1 ZINC000817911455 586837978 /nfs/dbraw/zinc/83/79/78/586837978.db2.gz AQSAXXHTWJWXEY-UMNHJUIQSA-N 2 0 242.388 1.671 20 0 BDADRP C[C@H](CN[C@@H]1CCC[C@@H]1[NH3+])[NH+]1CCCCC1 ZINC000817914680 586839442 /nfs/dbraw/zinc/83/94/42/586839442.db2.gz XZHMNPLVIGGMNQ-FRRDWIJNSA-N 2 0 225.380 1.330 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@]1(O)CCc2ccccc21 ZINC000817916166 586839595 /nfs/dbraw/zinc/83/95/95/586839595.db2.gz AOHBZBWOKUJDIZ-SLEUVZQESA-N 2 0 248.370 1.536 20 0 BDADRP C[C@@H]1CCC[N@@H+]1CCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000817913653 586839822 /nfs/dbraw/zinc/83/98/22/586839822.db2.gz PNMXYOWBRRLMLB-MGPQQGTHSA-N 2 0 239.407 1.448 20 0 BDADRP Cn1nccc1CC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000817922487 586840721 /nfs/dbraw/zinc/84/07/21/586840721.db2.gz HONCEZPOKZNKPN-CHWSQXEVSA-N 2 0 236.363 1.212 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(C)OCCCO1 ZINC000817926457 586841331 /nfs/dbraw/zinc/84/13/31/586841331.db2.gz JHMFYCQAJYPMDO-NWDGAFQWSA-N 2 0 242.363 1.117 20 0 BDADRP Cc1ccc([C@@H](O)C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000817926496 586841538 /nfs/dbraw/zinc/84/15/38/586841538.db2.gz KHCJXEGVNGCJLB-ZNMIVQPWSA-N 2 0 248.370 1.745 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)[C@@H](O)c1ccccc1 ZINC000817930568 586842302 /nfs/dbraw/zinc/84/23/02/586842302.db2.gz DBUCYVSLWLYWLY-ZJQBRPOHSA-N 2 0 236.359 1.824 20 0 BDADRP Cc1cc(C)cc([C@H](O)C[NH2+][C@@H](C)C2C[NH2+]C2)c1 ZINC000817929662 586842614 /nfs/dbraw/zinc/84/26/14/586842614.db2.gz KBRGNSJTUOXINQ-SWLSCSKDSA-N 2 0 248.370 1.534 20 0 BDADRP [NH3+]CCc1ccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000817949135 586846992 /nfs/dbraw/zinc/84/69/92/586846992.db2.gz OGZXOVOZEZBCML-CABCVRRESA-N 3 0 247.386 1.405 20 0 BDADRP CCC[NH2+]CC[NH2+]C1CCC2(CC1)OCCO2 ZINC000817963033 586853101 /nfs/dbraw/zinc/85/31/01/586853101.db2.gz QWKKYOXSOINDKU-UHFFFAOYSA-N 2 0 242.363 1.261 20 0 BDADRP C[NH+](C)Cc1cccc(C[NH2+]C[C@@H](O)C2CC2)c1 ZINC000818954101 586917619 /nfs/dbraw/zinc/91/76/19/586917619.db2.gz SIUKTHBTWBUDDN-OAHLLOKOSA-N 2 0 248.370 1.609 20 0 BDADRP C[NH+](C)CC[C@@H]([NH2+]C[C@H](O)C1CC1)C(C)(C)C ZINC000819083221 586929431 /nfs/dbraw/zinc/92/94/31/586929431.db2.gz YDVCYNMJHGNFTR-QWHCGFSZSA-N 2 0 242.407 1.713 20 0 BDADRP C[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000820803412 587072777 /nfs/dbraw/zinc/07/27/77/587072777.db2.gz SSRQAYXQLQGSOR-FZMOHWGLSA-N 2 0 224.348 1.115 20 0 BDADRP OCCN1CCCC[C@H]1C[NH2+]Cc1ccoc1 ZINC000824583227 587277961 /nfs/dbraw/zinc/27/79/61/587277961.db2.gz JQPVMIBMAFHEQL-ZDUSSCGKSA-N 2 0 238.331 1.216 20 0 BDADRP C[C@@H]1CC[C@H]1[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000824583834 587278027 /nfs/dbraw/zinc/27/80/27/587278027.db2.gz RVJWSWWTMMTVIV-JHJVBQTASA-N 2 0 226.364 1.221 20 0 BDADRP [NH3+]CCCCCC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000832618568 587670304 /nfs/dbraw/zinc/67/03/04/587670304.db2.gz ADEWFNJUTBCZNU-CYBMUJFWSA-N 2 0 249.358 1.322 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)CCCCC[NH3+])C1 ZINC000832750107 587683562 /nfs/dbraw/zinc/68/35/62/587683562.db2.gz JOGIDIXAWUXAAF-NEPJUHHUSA-N 2 0 241.379 1.091 20 0 BDADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)CCCCCC[NH3+] ZINC000834642835 587762553 /nfs/dbraw/zinc/76/25/53/587762553.db2.gz TZIPUSQAWNQDBG-NWDGAFQWSA-N 2 0 241.379 1.010 20 0 BDADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)CCCCCC[NH3+] ZINC000834642836 587762668 /nfs/dbraw/zinc/76/26/68/587762668.db2.gz TZIPUSQAWNQDBG-RYUDHWBXSA-N 2 0 241.379 1.010 20 0 BDADRP C[C@H](CCCC[NH3+])NC(=O)CCCCC[NH3+] ZINC000834785636 587766959 /nfs/dbraw/zinc/76/69/59/587766959.db2.gz GPYZNJOTTUIZDB-LLVKDONJSA-N 2 0 229.368 1.139 20 0 BDADRP CCCCCC[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000834821893 587767757 /nfs/dbraw/zinc/76/77/57/587767757.db2.gz UQFGRHXDDYPCMF-NEPJUHHUSA-N 2 0 243.395 1.350 20 0 BDADRP CCCCCC[N@H+](C)CC(=O)NC[C@H]([NH3+])CC ZINC000834826239 587767914 /nfs/dbraw/zinc/76/79/14/587767914.db2.gz KWFBJQVIXOOQPQ-GFCCVEGCSA-N 2 0 243.395 1.352 20 0 BDADRP [NH3+]Cc1cccc(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000834861523 587768868 /nfs/dbraw/zinc/76/88/68/587768868.db2.gz JDMCHPRZMSQVJY-YPMHNXCESA-N 2 0 247.342 1.003 20 0 BDADRP C[C@H](CCO)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000834910680 587770296 /nfs/dbraw/zinc/77/02/96/587770296.db2.gz WDSPMEBMJKFFDZ-LLVKDONJSA-N 2 0 214.353 1.221 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@H](C(F)F)C2)CC[NH2+]1 ZINC000841021717 587935394 /nfs/dbraw/zinc/93/53/94/587935394.db2.gz FFOZRNXJMBERIT-VWYCJHECSA-N 2 0 248.317 1.340 20 0 BDADRP CC(C)([NH3+])C[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000841031462 587936382 /nfs/dbraw/zinc/93/63/82/587936382.db2.gz UTURVNBXKVFALF-KXUCPTDWSA-N 2 0 246.445 1.693 20 0 BDADRP C[NH2+]CCNCc1ccc2c(c1)CC(C)(C)O2 ZINC000841034989 587937099 /nfs/dbraw/zinc/93/70/99/587937099.db2.gz HYIASFKXSILJKS-UHFFFAOYSA-N 2 0 234.343 1.709 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[NH2+]CC2)CCO1 ZINC000841057129 587940254 /nfs/dbraw/zinc/94/02/54/587940254.db2.gz ILTKIMOAJSQPFK-MGPQQGTHSA-N 2 0 240.391 1.923 20 0 BDADRP [NH3+]CCOc1ccc(NCC2(C[NH3+])CC2)cc1 ZINC000841055868 587940816 /nfs/dbraw/zinc/94/08/16/587940816.db2.gz YTBDTVSRBWFNAD-UHFFFAOYSA-N 2 0 235.331 1.175 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1nccs1 ZINC000841075221 587943504 /nfs/dbraw/zinc/94/35/04/587943504.db2.gz YTBXZKKEMHVSIU-GJYTXDDASA-N 2 0 237.372 1.749 20 0 BDADRP C([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1CCCOC1 ZINC000841089275 587945678 /nfs/dbraw/zinc/94/56/78/587945678.db2.gz KPKRPTQIWAVILI-QWHCGFSZSA-N 2 0 238.375 1.677 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)C[C@@H]([NH3+])C2CC2)c1 ZINC000841845780 587977442 /nfs/dbraw/zinc/97/74/42/587977442.db2.gz KHALUYLTPOKTHV-CYBMUJFWSA-N 2 0 247.342 1.472 20 0 BDADRP [NH3+][C@@H](C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000841852295 587978519 /nfs/dbraw/zinc/97/85/19/587978519.db2.gz YKBHLYPKZROHOY-YNEHKIRRSA-N 2 0 247.342 1.073 20 0 BDADRP CNC(=O)[C@H]1CCC[N@@H+]1CCCCCCC[NH3+] ZINC000842471853 588028765 /nfs/dbraw/zinc/02/87/65/588028765.db2.gz DDVMOHRCCOPJOA-GFCCVEGCSA-N 2 0 241.379 1.106 20 0 BDADRP [NH3+]CCCCCCC[N@H+]1C[C@H]2CCC[C@@H](C1)N2 ZINC000842474195 588029188 /nfs/dbraw/zinc/02/91/88/588029188.db2.gz JIJJPOCIKMSZFI-OKILXGFUSA-N 2 0 239.407 1.722 20 0 BDADRP C[C@H]1CC[N@H+](CCCCCCC[NH3+])C[C@H]1C[NH3+] ZINC000842478547 588029738 /nfs/dbraw/zinc/02/97/38/588029738.db2.gz KQBOTJMBYJYMGJ-UONOGXRCSA-N 3 0 241.423 1.812 20 0 BDADRP [NH3+]CCCCCc1nc([C@@H]2CCC[NH2+]2)no1 ZINC000842645880 588048599 /nfs/dbraw/zinc/04/85/99/588048599.db2.gz ZHRNHWLCMNMNIL-VIFPVBQESA-N 2 0 224.308 1.166 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](Cc2ccc3c(c2)COC3)C1 ZINC000843048458 588076379 /nfs/dbraw/zinc/07/63/79/588076379.db2.gz XMHHYRUYJZTTQI-GFCCVEGCSA-N 2 0 232.327 1.497 20 0 BDADRP CCC[NH+]1CCC([NH2+]CCCCCC[NH3+])CC1 ZINC000843126503 588084287 /nfs/dbraw/zinc/08/42/87/588084287.db2.gz HKGHLLGANQHDMY-UHFFFAOYSA-N 3 0 241.423 1.970 20 0 BDADRP CCc1nn(C)cc1C[NH2+]CCCCCC[NH3+] ZINC000843127246 588084529 /nfs/dbraw/zinc/08/45/29/588084529.db2.gz NCRFHLUFTWJHGA-UHFFFAOYSA-N 2 0 238.379 1.591 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]CCCCCC[NH3+] ZINC000843128424 588085290 /nfs/dbraw/zinc/08/52/90/588085290.db2.gz JHUCHZISHXIPPF-CHWSQXEVSA-N 3 0 227.396 1.626 20 0 BDADRP C[C@@H]([NH2+]CCCCCC[NH3+])c1ccc(=O)[nH]n1 ZINC000843341212 588101100 /nfs/dbraw/zinc/10/11/00/588101100.db2.gz HKYYWQJBICQPKI-SNVBAGLBSA-N 2 0 238.335 1.352 20 0 BDADRP C[N@H+](CCOCC[NH3+])CCc1ccccc1F ZINC000843358834 588103564 /nfs/dbraw/zinc/10/35/64/588103564.db2.gz UDDPBVYWZGVVBX-UHFFFAOYSA-N 2 0 240.322 1.275 20 0 BDADRP CC(C)(CCC[NH3+])NC(=O)CCCCCC[NH3+] ZINC000843481621 588114454 /nfs/dbraw/zinc/11/44/54/588114454.db2.gz KDWNSOFMGDABOI-UHFFFAOYSA-N 2 0 243.395 1.529 20 0 BDADRP CC(C)[C@H]([NH3+])c1noc(C[C@@H](C)n2ccnc2)n1 ZINC000844906661 588219012 /nfs/dbraw/zinc/21/90/12/588219012.db2.gz RMNZFMXCPMFOIY-KOLCDFICSA-N 2 0 249.318 1.726 20 0 BDADRP CC[C@@H]1C[C@@H](C[NH2+]CCC2(C[NH3+])CC2)CCO1 ZINC000844904131 588219071 /nfs/dbraw/zinc/21/90/71/588219071.db2.gz ZTUXKCUWMHUPET-QWHCGFSZSA-N 2 0 240.391 1.910 20 0 BDADRP C[C@@H]1C[N@H+](CCCCCC[NH3+])CC[C@H]1[NH3+] ZINC000846217707 588260276 /nfs/dbraw/zinc/26/02/76/588260276.db2.gz MMLLYFWTFRKPJX-VXGBXAGGSA-N 2 0 213.369 1.175 20 0 BDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCCCCC[NH3+] ZINC000846217199 588260514 /nfs/dbraw/zinc/26/05/14/588260514.db2.gz CMQWKYOHHVWUSY-CYBMUJFWSA-N 2 0 229.412 1.811 20 0 BDADRP C[C@H](N)[C@@H]1CCCC[N@@H+]1CCCCCC[NH3+] ZINC000846216098 588260614 /nfs/dbraw/zinc/26/06/14/588260614.db2.gz PKLFURDOLLNKRR-STQMWFEESA-N 2 0 227.396 1.707 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000846219536 588260803 /nfs/dbraw/zinc/26/08/03/588260803.db2.gz CELJMYPMAWNBSH-ZDUSSCGKSA-N 3 0 227.396 1.566 20 0 BDADRP C[C@@H]1NCC[N@H+](CCCCCC[NH3+])[C@H]1C ZINC000846220453 588261348 /nfs/dbraw/zinc/26/13/48/588261348.db2.gz PYIVQZVEUCTEKP-RYUDHWBXSA-N 2 0 213.369 1.188 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCCCCC[NH3+] ZINC000846220586 588261429 /nfs/dbraw/zinc/26/14/29/588261429.db2.gz LWLMJFHOOJKZDM-GFCCVEGCSA-N 3 0 227.396 1.483 20 0 BDADRP [NH3+]CCCCCC[NH2+]C1(CO)CCCC1 ZINC000846222300 588261595 /nfs/dbraw/zinc/26/15/95/588261595.db2.gz GYVZFFQRPDDFOP-UHFFFAOYSA-N 2 0 214.353 1.400 20 0 BDADRP [NH3+]CCCCCCC[NH+]1CCC(CC[NH3+])CC1 ZINC000846227094 588261727 /nfs/dbraw/zinc/26/17/27/588261727.db2.gz GMZZXLBYPMZGSX-UHFFFAOYSA-N 3 0 241.423 1.956 20 0 BDADRP [NH3+]CCCCCCC[N@@H+]1CCC[C@H](O)C1 ZINC000846226216 588261744 /nfs/dbraw/zinc/26/17/44/588261744.db2.gz KLKTZAGRHSHSQD-LBPRGKRZSA-N 2 0 214.353 1.352 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1cccc(C[NH3+])c1 ZINC000846744355 588284416 /nfs/dbraw/zinc/28/44/16/588284416.db2.gz YXTYAPAIKVECBS-ZWNOBZJWSA-N 2 0 247.342 1.097 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CCCCCC[NH3+] ZINC000846744157 588284473 /nfs/dbraw/zinc/28/44/73/588284473.db2.gz XIOGEOKFFMXRNY-VXGBXAGGSA-N 2 0 241.379 1.234 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCCc3n[nH]cc32)C1 ZINC000848556707 588397221 /nfs/dbraw/zinc/39/72/21/588397221.db2.gz BYNGOMIEPPAGJQ-LOWVWBTDSA-N 2 0 248.374 1.717 20 0 BDADRP Cc1ccccc1[C@H](O)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000848716964 588407789 /nfs/dbraw/zinc/40/77/89/588407789.db2.gz PFFBBGXBFUEPRP-KCQAQPDRSA-N 2 0 248.370 1.888 20 0 BDADRP CCc1cc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)[nH]n1 ZINC000848716595 588407828 /nfs/dbraw/zinc/40/78/28/588407828.db2.gz FADQHERKIHZTDP-MWLCHTKSSA-N 2 0 222.336 1.332 20 0 BDADRP C[C@@H]1CCC[N@@H+]1CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000848720187 588408407 /nfs/dbraw/zinc/40/84/07/588408407.db2.gz SUDPSCWKAFRLML-UPJWGTAASA-N 2 0 225.380 1.330 20 0 BDADRP Cc1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)no1 ZINC000848923052 588420778 /nfs/dbraw/zinc/42/07/78/588420778.db2.gz DCCZEMBSMDXKKI-KLPPZKSPSA-N 2 0 223.320 1.413 20 0 BDADRP C[NH+](C)CC(C)(C)CNC(=[NH2+])NC1CCC1 ZINC000848980918 588423576 /nfs/dbraw/zinc/42/35/76/588423576.db2.gz KNEBWYJHTIYAIC-UHFFFAOYSA-N 2 0 226.368 1.241 20 0 BDADRP CCCNC(=[NH2+])NCCC[NH+]1CCCCC1 ZINC000848982686 588424415 /nfs/dbraw/zinc/42/44/15/588424415.db2.gz WODVIEXCTXIMAG-UHFFFAOYSA-N 2 0 226.368 1.386 20 0 BDADRP CC[C@H](C)NC(=[NH2+])NCCC[NH+]1CCCC1 ZINC000848982623 588424519 /nfs/dbraw/zinc/42/45/19/588424519.db2.gz LOOOJABDWUHLDU-NSHDSACASA-N 2 0 226.368 1.385 20 0 BDADRP CC(C)C[C@@H](CNC1=[NH+]CCCN1C)[NH+](C)C ZINC000848983932 588424884 /nfs/dbraw/zinc/42/48/84/588424884.db2.gz TYUOQANHZIJHLD-LBPRGKRZSA-N 2 0 240.395 1.244 20 0 BDADRP C[C@H](CNC(=[NH2+])N(C)C1CC1)[NH+]1CCCC1 ZINC000848986607 588425942 /nfs/dbraw/zinc/42/59/42/588425942.db2.gz LFPHZIVXFQUJBX-SNVBAGLBSA-N 2 0 224.352 1.089 20 0 BDADRP C[C@H]1CCCC[N@@H+]1CCNC(=[NH2+])NC1CCC1 ZINC000848987725 588426227 /nfs/dbraw/zinc/42/62/27/588426227.db2.gz VMDGULMDNCGFHG-NSHDSACASA-N 2 0 238.379 1.527 20 0 BDADRP CC[C@H](C)NC(=[NH2+])NCC[NH+]1CCC(C)CC1 ZINC000848987611 588426284 /nfs/dbraw/zinc/42/62/84/588426284.db2.gz KUBXMOYHFWAKKW-LBPRGKRZSA-N 2 0 240.395 1.631 20 0 BDADRP C[C@H](CNC(=[NH2+])NC1CCC1)C[NH+]1CCCC1 ZINC000848994361 588428163 /nfs/dbraw/zinc/42/81/63/588428163.db2.gz FEKLZSXHCRHXHN-LLVKDONJSA-N 2 0 238.379 1.385 20 0 BDADRP CC(C)CNC(=[NH2+])NCCC[NH2+]C(C)(C)C ZINC000848994121 588428405 /nfs/dbraw/zinc/42/84/05/588428405.db2.gz UXRLKJJXIVMBCR-UHFFFAOYSA-N 2 0 228.384 1.535 20 0 BDADRP CCCCNC(=[NH2+])NC[C@@H](C)[NH+]1CCCCC1 ZINC000848995484 588428682 /nfs/dbraw/zinc/42/86/82/588428682.db2.gz LXQFBFUMBJHMAO-GFCCVEGCSA-N 2 0 240.395 1.775 20 0 BDADRP CCNC(=[NH2+])NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000848998721 588430156 /nfs/dbraw/zinc/43/01/56/588430156.db2.gz MSHJQGOHKYPRKV-NSHDSACASA-N 2 0 226.368 1.241 20 0 BDADRP C[C@H]1CC[N@H+](CCNC(=[NH2+])Nc2ccccn2)C1 ZINC000849004583 588431469 /nfs/dbraw/zinc/43/14/69/588431469.db2.gz PVRPKPHYFXXDLA-NSHDSACASA-N 2 0 247.346 1.360 20 0 BDADRP CC[C@H](C)NC(=[NH2+])NC[C@H]1CCCC[N@@H+]1CC ZINC000849005992 588432583 /nfs/dbraw/zinc/43/25/83/588432583.db2.gz JLJQHRHXPLZBGF-NWDGAFQWSA-N 2 0 240.395 1.773 20 0 BDADRP CNC(=[NH2+])NCCCCC[NH+]1CCCCC1 ZINC000849007747 588433624 /nfs/dbraw/zinc/43/36/24/588433624.db2.gz PTIYREKLTHSABU-UHFFFAOYSA-N 2 0 226.368 1.386 20 0 BDADRP Cc1cc(C)cc(NC(=[NH2+])NCCN2CCC2)c1 ZINC000849014696 588436428 /nfs/dbraw/zinc/43/64/28/588436428.db2.gz RWBHGNLAPCYFON-UHFFFAOYSA-N 2 0 246.358 1.945 20 0 BDADRP C[NH+](C)C1(CNC(=[NH2+])N2CCCCC2)CCC1 ZINC000849020604 588438494 /nfs/dbraw/zinc/43/84/94/588438494.db2.gz LRAVULNTXVRVTJ-UHFFFAOYSA-N 2 0 238.379 1.481 20 0 BDADRP CCNC(=[NH2+])NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000849023219 588439668 /nfs/dbraw/zinc/43/96/68/588439668.db2.gz ZCLXUNRJTFKLIZ-NSHDSACASA-N 2 0 224.352 1.137 20 0 BDADRP CC[C@H](C)NC(=[NH2+])NCCC[N@H+](C)CC(C)C ZINC000849046213 588449962 /nfs/dbraw/zinc/44/99/62/588449962.db2.gz AFYOJWQIEROQIB-LBPRGKRZSA-N 2 0 242.411 1.877 20 0 BDADRP C[C@H](CCO)[NH2+][C@@H](C)CN1CCC(C)CC1 ZINC000850544258 588559365 /nfs/dbraw/zinc/55/93/65/588559365.db2.gz VCEKWMLMWUZPEW-OLZOCXBDSA-N 2 0 228.380 1.467 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CC[C@H](N2CCCC2)C1 ZINC000110370937 588658907 /nfs/dbraw/zinc/65/89/07/588658907.db2.gz RQIGUXPABYYTNR-AWEZNQCLSA-N 2 0 239.407 1.676 20 0 BDADRP C[N@@H+]1CC[C@]2(C1)CCCN(CCOC(F)F)C2 ZINC000852108283 588664000 /nfs/dbraw/zinc/66/40/00/588664000.db2.gz ZJLSEGNUOUCHKQ-LBPRGKRZSA-N 2 0 248.317 1.643 20 0 BDADRP FC(F)OCC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000852750286 588698887 /nfs/dbraw/zinc/69/88/87/588698887.db2.gz YPRMTIUUGFZXRQ-MNOVXSKESA-N 2 0 248.317 1.690 20 0 BDADRP C[C@H]1CC[N@H+](CCOC(F)F)C[C@@H]1C[NH3+] ZINC000852750915 588700130 /nfs/dbraw/zinc/70/01/30/588700130.db2.gz JAZPRVRTOJIODW-IUCAKERBSA-N 2 0 222.279 1.142 20 0 BDADRP C[C@]12COC[C@@H]1C[N@H+](CCCCCCC[NH3+])C2 ZINC000852758924 588700478 /nfs/dbraw/zinc/70/04/78/588700478.db2.gz HKJBMLRHOZTAMP-KBPBESRZSA-N 2 0 240.391 1.864 20 0 BDADRP CC(C)[C@@H]1CC[C@@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000863540753 589296654 /nfs/dbraw/zinc/29/66/54/589296654.db2.gz HOIHJSMQMNVVTD-RYUDHWBXSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@H]([NH3+])CN(C)CCO[C@@H]1CCCC[C@@H]1C ZINC000863568194 589299826 /nfs/dbraw/zinc/29/98/26/589299826.db2.gz IKGUNWDHMVTCLC-RWMBFGLXSA-N 2 0 228.380 1.861 20 0 BDADRP C[C@@H]([NH3+])CN(C)Cc1ccccc1N(C)C ZINC000863567603 589300144 /nfs/dbraw/zinc/30/01/44/589300144.db2.gz FWLUFAQSYWRYKZ-LLVKDONJSA-N 2 0 221.348 1.532 20 0 BDADRP C[C@H]([NH3+])CN(C)Cc1cccc2c1CC[NH2+]C2 ZINC000863569486 589300437 /nfs/dbraw/zinc/30/04/37/589300437.db2.gz WYTAOYRPBZYKIA-NSHDSACASA-N 2 0 233.359 1.111 20 0 BDADRP [NH3+]C[C@H]1CCC[N@H+](CC2=CCCOC2)C1 ZINC000863642093 589305936 /nfs/dbraw/zinc/30/59/36/589305936.db2.gz PYPKAKDXAYDHAP-LLVKDONJSA-N 2 0 210.321 1.004 20 0 BDADRP C1=C(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)COCC1 ZINC000863641940 589306322 /nfs/dbraw/zinc/30/63/22/589306322.db2.gz NAYVTVFDKYNCJE-UHFFFAOYSA-N 2 0 236.359 1.409 20 0 BDADRP CC(C)C[C@H](CNC(=[NH2+])N[C@H]1C[C@@H]1C)[NH+](C)C ZINC000864450593 589364406 /nfs/dbraw/zinc/36/44/06/589364406.db2.gz RASNDDARIYRRJJ-TUAOUCFPSA-N 2 0 240.395 1.485 20 0 BDADRP CC(C)[N@H+](C)CCCNC(=[NH2+])N[C@@H]1C[C@H]1C ZINC000864453513 589365945 /nfs/dbraw/zinc/36/59/45/589365945.db2.gz XLPFVLOKWSOCHK-GHMZBOCLSA-N 2 0 226.368 1.239 20 0 BDADRP CC[C@@H]1CCN(C(=[NH2+])NCCCC[NH+](C)C)C1 ZINC000864453765 589366044 /nfs/dbraw/zinc/36/60/44/589366044.db2.gz ZPXVDKZSPBOFRL-GFCCVEGCSA-N 2 0 240.395 1.584 20 0 BDADRP C[C@@H]1C[C@@H]1NC(=[NH2+])NCC[NH+]1CCCCCC1 ZINC000864453644 589366138 /nfs/dbraw/zinc/36/61/38/589366138.db2.gz YHUWYSPFLGHKCW-NEPJUHHUSA-N 2 0 238.379 1.385 20 0 BDADRP CCC(CC)NC(=[NH2+])NC[C@H](C)[N@H+](C)C1CC1 ZINC000864456375 589366888 /nfs/dbraw/zinc/36/68/88/589366888.db2.gz HFSHVXZJDZLFBX-JTQLQIEISA-N 2 0 240.395 1.772 20 0 BDADRP C[N@@H+]1CCC[C@@H](CNC(=[NH2+])NCCC2CC2)C1 ZINC000864458986 589368382 /nfs/dbraw/zinc/36/83/82/589368382.db2.gz XQDSRMQPFCBMCS-LBPRGKRZSA-N 2 0 238.379 1.242 20 0 BDADRP CCCC[N@H+](C)CCNC(=[NH2+])N[C@H]1C[C@H]1C ZINC000864459036 589368525 /nfs/dbraw/zinc/36/85/25/589368525.db2.gz YQKKUTWCVPOOCY-MNOVXSKESA-N 2 0 226.368 1.241 20 0 BDADRP C[C@@H]1C[C@@H]1NC(=[NH2+])NCC[N@@H+]1CCCC1(C)C ZINC000864465673 589370971 /nfs/dbraw/zinc/37/09/71/589370971.db2.gz BLBTWITYUYJNLT-MNOVXSKESA-N 2 0 238.379 1.383 20 0 BDADRP CCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H]1C[C@@H]1C ZINC000864468187 589372267 /nfs/dbraw/zinc/37/22/67/589372267.db2.gz GOWLVNFYNZUXDC-SRVKXCTJSA-N 2 0 238.379 1.383 20 0 BDADRP CS[C@H]1C[C@H]([NH2+][C@H]2CN(C)C[C@H]2C)C1 ZINC000865734317 589459094 /nfs/dbraw/zinc/45/90/94/589459094.db2.gz SJNAGUQVRJGVHA-DBIOUOCHSA-N 2 0 214.378 1.420 20 0 BDADRP CC[C@H](C[C@H](C)O)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000865875067 589466589 /nfs/dbraw/zinc/46/65/89/589466589.db2.gz AVVXTIRFFZPMJJ-XQQFMLRXSA-N 2 0 242.407 1.998 20 0 BDADRP Cc1cc(N[C@H]2CC[N@H+](CC(C)(C)O)C2)cc[nH+]1 ZINC000865998545 589472104 /nfs/dbraw/zinc/47/21/04/589472104.db2.gz MDIFLFIZGNDHJO-ZDUSSCGKSA-N 2 0 249.358 1.069 20 0 BDADRP Cc1cc(N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc[nH+]1 ZINC000866206662 589480146 /nfs/dbraw/zinc/48/01/46/589480146.db2.gz FHIMKCTUQNIHBA-GXTWGEPZSA-N 2 0 231.343 1.920 20 0 BDADRP C[NH+](C)CCC[NH2+][C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000866214536 589480830 /nfs/dbraw/zinc/48/08/30/589480830.db2.gz PMZYARQPUHOXRT-KBPBESRZSA-N 2 0 240.391 1.875 20 0 BDADRP COC(C)(C)CC[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000866504620 589498076 /nfs/dbraw/zinc/49/80/76/589498076.db2.gz LTMNDTGHOIODMY-WCQYABFASA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000866660758 589508008 /nfs/dbraw/zinc/50/80/08/589508008.db2.gz KWFKEOHWLIOYBW-QWHCGFSZSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000866665092 589509462 /nfs/dbraw/zinc/50/94/62/589509462.db2.gz SPAMCXRPFUWDTO-MJBXVCDLSA-N 2 0 238.375 1.487 20 0 BDADRP [NH3+][C@@]12CCC[C@H]1C[N@H+](CCCC1CC1)C2 ZINC000866668685 589510133 /nfs/dbraw/zinc/51/01/33/589510133.db2.gz ICXIQMNESWLGRH-QWHCGFSZSA-N 2 0 208.349 1.990 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccc3c(c2)COC3)C[C@H]1C[NH3+] ZINC000866673171 589510644 /nfs/dbraw/zinc/51/06/44/589510644.db2.gz WZOCDNZKKNDHIU-XHDPSFHLSA-N 2 0 246.354 1.743 20 0 BDADRP CC1(C)[C@H]([NH3+])c2ccccc2N1C(=O)[C@H]1CC[NH2+]1 ZINC000867987166 589542700 /nfs/dbraw/zinc/54/27/00/589542700.db2.gz HWNSNVIGODYQCK-ZYHUDNBSSA-N 2 0 245.326 1.174 20 0 BDADRP CC1(C)[C@H]([NH3+])c2ccccc2N1C(=O)CC[NH3+] ZINC000867988371 589542772 /nfs/dbraw/zinc/54/27/72/589542772.db2.gz KXLSMJFPWBNKMW-GFCCVEGCSA-N 2 0 233.315 1.160 20 0 BDADRP C[C@H](C1CC1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000122936637 589644687 /nfs/dbraw/zinc/64/46/87/589644687.db2.gz MBHPGYLMMPQFSU-CYBMUJFWSA-N 2 0 239.407 1.354 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)CC[NH2+]CC1CC1 ZINC000870936649 589698783 /nfs/dbraw/zinc/69/87/83/589698783.db2.gz AHBCRRGXUIMHNE-UHFFFAOYSA-N 2 0 241.379 1.010 20 0 BDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1c1nc(C2([NH3+])CCC2)no1 ZINC000871786407 589818061 /nfs/dbraw/zinc/81/80/61/589818061.db2.gz AWDJBVHKJSCKSS-SFYZADRCSA-N 2 0 236.319 1.248 20 0 BDADRP C[C@@H](C[NH3+])c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871796890 589820207 /nfs/dbraw/zinc/82/02/07/589820207.db2.gz QKUNZWKJAVOESA-BFARCFIYSA-N 2 0 236.319 1.130 20 0 BDADRP [NH3+][C@H]1C[C@@H](c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)C1 ZINC000871800728 589820258 /nfs/dbraw/zinc/82/02/58/589820258.db2.gz RTMARRURAQBVTA-RALPEPDASA-N 2 0 248.330 1.272 20 0 BDADRP CC[C@H]([NH2+]C[C@H](C)C[NH+](C)C)[C@H]1CCCOC1 ZINC000872073523 589864755 /nfs/dbraw/zinc/86/47/55/589864755.db2.gz QINMHNYYHZHVOY-IHRRRGAJSA-N 2 0 242.407 1.979 20 0 BDADRP CC[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)[C@@H]1CCCOC1 ZINC000872073525 589864873 /nfs/dbraw/zinc/86/48/73/589864873.db2.gz QINMHNYYHZHVOY-MCIONIFRSA-N 2 0 242.407 1.979 20 0 BDADRP CC(=O)C1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000872146612 589885084 /nfs/dbraw/zinc/88/50/84/589885084.db2.gz SPSKMMGHPFMRME-CYBMUJFWSA-N 2 0 238.375 1.677 20 0 BDADRP CC(C)[C@H](C[NH3+])C[NH2+]CCCCCC[NH3+] ZINC000873214092 589997201 /nfs/dbraw/zinc/99/72/01/589997201.db2.gz XOOWDRPTNHAREN-GFCCVEGCSA-N 2 0 215.385 1.326 20 0 BDADRP [NH3+]CC1(CNc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000873214945 589997977 /nfs/dbraw/zinc/99/79/77/589997977.db2.gz NLRBZICMBOXZSH-QWHCGFSZSA-N 2 0 231.343 1.652 20 0 BDADRP [NH3+]CCCNc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000873216635 589998223 /nfs/dbraw/zinc/99/82/23/589998223.db2.gz VVQYURHRQKQDJI-NWDGAFQWSA-N 2 0 205.305 1.262 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1)C1CC[NH2+]CC1 ZINC000873219885 589998643 /nfs/dbraw/zinc/99/86/43/589998643.db2.gz GWKWTCJMOSUYBN-RWMBFGLXSA-N 3 0 239.407 1.352 20 0 BDADRP C[C@@H]([NH2+]CC1(F)CC1)C1CC[NH2+]CC1 ZINC000873219652 589998793 /nfs/dbraw/zinc/99/87/93/589998793.db2.gz CHWCUFOUBPWUNR-SECBINFHSA-N 2 0 200.301 1.466 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)C1CC[NH2+]CC1 ZINC000873220688 589998907 /nfs/dbraw/zinc/99/89/07/589998907.db2.gz RIBFEMFVJCNJEI-AAEUAGOBSA-N 3 0 225.380 1.106 20 0 BDADRP C[C@H]([NH2+]CC[NH2+]C(C)(C)C)C1CC[NH2+]CC1 ZINC000873220866 589999641 /nfs/dbraw/zinc/99/96/41/589999641.db2.gz VHSKYGBLYDCCTK-NSHDSACASA-N 3 0 227.396 1.352 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@H]1NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000873234144 590004096 /nfs/dbraw/zinc/00/40/96/590004096.db2.gz CSVIIDYNGVWPON-FRRDWIJNSA-N 2 0 239.407 1.304 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CCSC1 ZINC000873236152 590004165 /nfs/dbraw/zinc/00/41/65/590004165.db2.gz VEWNURQAPQNPHY-GMTAPVOTSA-N 2 0 214.378 1.599 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccnc(F)c1 ZINC000873241443 590005744 /nfs/dbraw/zinc/00/57/44/590005744.db2.gz HHSUYZGTNKGPFN-IUCAKERBSA-N 2 0 211.284 1.436 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000873238655 590006050 /nfs/dbraw/zinc/00/60/50/590006050.db2.gz DOLWXEHWUBXDSY-BBMNEWJDSA-N 2 0 238.375 1.517 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccncc1 ZINC000873250212 590007246 /nfs/dbraw/zinc/00/72/46/590007246.db2.gz FPGYCIMPDICIRE-FOGDFJRCSA-N 2 0 205.305 1.470 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CCCc3n[nH]cc32)C1 ZINC000873249094 590007589 /nfs/dbraw/zinc/00/75/89/590007589.db2.gz IIROGXNOHVCPRI-NGZCFLSTSA-N 2 0 220.320 1.114 20 0 BDADRP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873248695 590007739 /nfs/dbraw/zinc/00/77/39/590007739.db2.gz DREMXHSHLVRUJZ-WUHRBBMRSA-N 2 0 226.364 1.519 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1nccn1C ZINC000873251340 590008004 /nfs/dbraw/zinc/00/80/04/590008004.db2.gz LFNOQPXQIJTXDV-AXFHLTTASA-N 2 0 222.336 1.198 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(F)cn1 ZINC000873250663 590008395 /nfs/dbraw/zinc/00/83/95/590008395.db2.gz IKWWDNKJBKHMBP-ATZCPNFKSA-N 2 0 223.295 1.609 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cccc(O)c1 ZINC000873252860 590008955 /nfs/dbraw/zinc/00/89/55/590008955.db2.gz WRDQLCKWRWSVBE-FOGDFJRCSA-N 2 0 220.316 1.780 20 0 BDADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCCCC1CC1 ZINC000873253552 590009356 /nfs/dbraw/zinc/00/93/56/590009356.db2.gz ZBBFMLKVBNNHGB-IACUBPJLSA-N 2 0 240.391 1.909 20 0 BDADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CCCc3cccnc32)C1 ZINC000873255178 590010019 /nfs/dbraw/zinc/01/00/19/590010019.db2.gz CSNYUPLRTWPUNS-RAIGVLPGSA-N 2 0 231.343 1.786 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cncs1 ZINC000873254625 590010056 /nfs/dbraw/zinc/01/00/56/590010056.db2.gz YNWUECRYUIBIHH-HLTSFMKQSA-N 2 0 211.334 1.531 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)c2nccn21 ZINC000873255897 590010811 /nfs/dbraw/zinc/01/08/11/590010811.db2.gz KDZFXTJOGXDJIV-NAKRPEOUSA-N 2 0 220.320 1.216 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C12CCC2 ZINC000873258011 590012202 /nfs/dbraw/zinc/01/22/02/590012202.db2.gz WRFUGSVMDDKZNJ-CYDGBPFRSA-N 2 0 238.375 1.661 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)O1 ZINC000873262342 590014030 /nfs/dbraw/zinc/01/40/30/590014030.db2.gz XHJZQUQHVCGBDN-QQOHENMQSA-N 2 0 238.375 1.673 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)Cc1cnccn1)C1CC[NH2+]CC1 ZINC000873269235 590015320 /nfs/dbraw/zinc/01/53/20/590015320.db2.gz DWLIBDSPRCWXPC-NWDGAFQWSA-N 2 0 248.374 1.385 20 0 BDADRP CO[C@@H](C)[C@H](C)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873268604 590015674 /nfs/dbraw/zinc/01/56/74/590015674.db2.gz XZAZTWUBZISWND-AXFHLTTASA-N 2 0 214.353 1.388 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873270664 590016307 /nfs/dbraw/zinc/01/63/07/590016307.db2.gz ZKJLJVBTGUFEMZ-VXGBXAGGSA-N 3 0 227.396 1.482 20 0 BDADRP CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873273078 590017098 /nfs/dbraw/zinc/01/70/98/590017098.db2.gz XZAZTWUBZISWND-DCAQKATOSA-N 2 0 214.353 1.388 20 0 BDADRP CC1(C)CO[C@H](C[NH2+][C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000873281563 590017726 /nfs/dbraw/zinc/01/77/26/590017726.db2.gz LIQHIWJNLOFYQC-GARJFASQSA-N 2 0 212.337 1.271 20 0 BDADRP COCC(C)(C)CC[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000873281445 590018724 /nfs/dbraw/zinc/01/87/24/590018724.db2.gz JANDEKDVVJLFKB-GHMZBOCLSA-N 2 0 214.353 1.519 20 0 BDADRP Nc1cc(F)cc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])c1 ZINC000873288910 590022433 /nfs/dbraw/zinc/02/24/33/590022433.db2.gz CGGPXGNYYOJYLR-GWCFXTLKSA-N 2 0 237.322 1.625 20 0 BDADRP CC(C)[C@H](C)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291218 590023000 /nfs/dbraw/zinc/02/30/00/590023000.db2.gz VUYXUMPNJDBDKU-STQMWFEESA-N 2 0 240.391 1.779 20 0 BDADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H]1C[C@H](O)C1 ZINC000873297304 590025412 /nfs/dbraw/zinc/02/54/12/590025412.db2.gz VYBJOPOJFOHHOG-MXAVVETBSA-N 2 0 248.370 1.305 20 0 BDADRP C[NH+](C)CCC[NH2+]C1CCC2(CC1)OCCO2 ZINC000019959137 590056139 /nfs/dbraw/zinc/05/61/39/590056139.db2.gz VMRNKOPTCLJHKB-UHFFFAOYSA-N 2 0 242.363 1.213 20 0 BDADRP C[C@@H]([NH3+])CC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000876723168 590233612 /nfs/dbraw/zinc/23/36/12/590233612.db2.gz OPKPKMPFNRUYFU-GRYCIOLGSA-N 2 0 241.379 1.103 20 0 BDADRP CC[NH2+][C@@H](C)C(=O)N1CCC[C@H]1c1ncc[nH]1 ZINC000876903746 590255653 /nfs/dbraw/zinc/25/56/53/590255653.db2.gz PDPMZQMIPXPMNC-UWVGGRQHSA-N 2 0 236.319 1.071 20 0 BDADRP C[C@@H]([NH3+])CN(C)C(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000877105849 590284924 /nfs/dbraw/zinc/28/49/24/590284924.db2.gz SLEZGYNUIXTJCW-PWSUYJOCSA-N 2 0 241.379 1.090 20 0 BDADRP C[C@@H]([NH3+])CN(C)C(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000877106909 590285420 /nfs/dbraw/zinc/28/54/20/590285420.db2.gz XVPCRJZSPYHYSE-ZWNOBZJWSA-N 2 0 247.342 1.027 20 0 BDADRP [NH3+]CCCC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877133429 590290912 /nfs/dbraw/zinc/29/09/12/590290912.db2.gz AEWRUBOKSBKUSK-NWDGAFQWSA-N 2 0 233.315 1.179 20 0 BDADRP CC(C)(C[NH3+])C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877134372 590291127 /nfs/dbraw/zinc/29/11/27/590291127.db2.gz QSNMDQXSNPVTEA-NWDGAFQWSA-N 2 0 247.342 1.425 20 0 BDADRP CN(CCCCCC[NH3+])C(=O)C1=CC[C@H]([NH3+])C1 ZINC000877436343 590326699 /nfs/dbraw/zinc/32/66/99/590326699.db2.gz FTMLJHBQHHZQPV-LBPRGKRZSA-N 2 0 239.363 1.011 20 0 BDADRP C[N@@H+]1CC[C@H]2C[NH+](CC3(C)CC3)CC[C@@H]21 ZINC000877738228 590405331 /nfs/dbraw/zinc/40/53/31/590405331.db2.gz ASHHRMGHGYPETP-RYUDHWBXSA-N 2 0 208.349 1.813 20 0 BDADRP COCC(C)(C)C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877740195 590407295 /nfs/dbraw/zinc/40/72/95/590407295.db2.gz IZNRYHIWUBCHTL-CHWSQXEVSA-N 2 0 240.391 1.685 20 0 BDADRP CCC[C@H](C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1)OC ZINC000877742894 590409859 /nfs/dbraw/zinc/40/98/59/590409859.db2.gz SCKPSIMGAVWZIX-MGPQQGTHSA-N 2 0 240.391 1.828 20 0 BDADRP c1c[nH]c(N2CC[NH+](CCCC3CC3)CC2)n1 ZINC000878518255 590585842 /nfs/dbraw/zinc/58/58/42/590585842.db2.gz SPSDNVPATNZJES-UHFFFAOYSA-N 2 0 234.347 1.722 20 0 BDADRP CC(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000878549071 590590482 /nfs/dbraw/zinc/59/04/82/590590482.db2.gz DWWVQAFLJYOIOY-UHFFFAOYSA-N 2 0 224.348 1.383 20 0 BDADRP Cn1cncc1CC[N@@H+]1CCC[C@H](CO)CC1 ZINC000878656364 590603051 /nfs/dbraw/zinc/60/30/51/590603051.db2.gz MZTMQBXXGWYOAV-LBPRGKRZSA-N 2 0 237.347 1.057 20 0 BDADRP Cn1cncc1CC[N@@H+]1CCC[C@@H](CO)CC1 ZINC000878656363 590603374 /nfs/dbraw/zinc/60/33/74/590603374.db2.gz MZTMQBXXGWYOAV-GFCCVEGCSA-N 2 0 237.347 1.057 20 0 BDADRP CSC[C@@H](C)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000127341623 590624470 /nfs/dbraw/zinc/62/44/70/590624470.db2.gz WTCCKLXRAJHOCC-ZJUUUORDSA-N 2 0 202.367 1.470 20 0 BDADRP C=C/C=C/CC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000878865980 590634620 /nfs/dbraw/zinc/63/46/20/590634620.db2.gz OSXLYAWUFTWRAE-VBROQKIQSA-N 2 0 238.375 1.507 20 0 BDADRP CCC[N@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000879124354 590698718 /nfs/dbraw/zinc/69/87/18/590698718.db2.gz UTFFIJLBANAEJA-UHFFFAOYSA-N 2 0 228.380 1.687 20 0 BDADRP C[C@H](O)CCC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879580032 590817585 /nfs/dbraw/zinc/81/75/85/590817585.db2.gz DICCNKUPFYANBT-YNEHKIRRSA-N 2 0 226.364 1.173 20 0 BDADRP CC[C@H](O)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880258567 590978413 /nfs/dbraw/zinc/97/84/13/590978413.db2.gz IPYXCKLOTCUJME-OCCSQVGLSA-N 2 0 249.358 1.363 20 0 BDADRP CC[C@@H](O)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880258568 590979171 /nfs/dbraw/zinc/97/91/71/590979171.db2.gz IPYXCKLOTCUJME-TZMCWYRMSA-N 2 0 249.358 1.363 20 0 BDADRP COCC[C@H](C)[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880473362 591054451 /nfs/dbraw/zinc/05/44/51/591054451.db2.gz XGAVTMXDORDAOI-ZDUSSCGKSA-N 2 0 240.391 1.972 20 0 BDADRP C[C@H](O)CCC[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880474253 591054523 /nfs/dbraw/zinc/05/45/23/591054523.db2.gz WJONKWKIJSKWPD-ZDUSSCGKSA-N 2 0 240.391 1.708 20 0 BDADRP CC(C)c1c[nH]c(C[NH2+]CCc2cncn2C)n1 ZINC000883185018 591565092 /nfs/dbraw/zinc/56/50/92/591565092.db2.gz LVWRJIITUJULKB-UHFFFAOYSA-N 2 0 247.346 1.599 20 0 BDADRP CCN1CC[C@H]1C[NH2+][C@@H](C)CCn1cccn1 ZINC000883354889 591625553 /nfs/dbraw/zinc/62/55/53/591625553.db2.gz DMXPEXPUFPRABG-STQMWFEESA-N 2 0 236.363 1.346 20 0 BDADRP CCN1CC[C@@H]1C[NH2+][C@@H](C)CCn1cccn1 ZINC000883354888 591626103 /nfs/dbraw/zinc/62/61/03/591626103.db2.gz DMXPEXPUFPRABG-QWHCGFSZSA-N 2 0 236.363 1.346 20 0 BDADRP CCN1CC[C@@H]1C[NH2+][C@H](C)CCn1cccn1 ZINC000883354886 591626731 /nfs/dbraw/zinc/62/67/31/591626731.db2.gz DMXPEXPUFPRABG-CHWSQXEVSA-N 2 0 236.363 1.346 20 0 BDADRP CCN1CC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000883356625 591627868 /nfs/dbraw/zinc/62/78/68/591627868.db2.gz RMFAEZICWSHSMY-CHWSQXEVSA-N 2 0 239.407 1.543 20 0 BDADRP CCN1CC[C@@H]1C[NH2+]C1CC(CF)(CF)C1 ZINC000883356912 591628010 /nfs/dbraw/zinc/62/80/10/591628010.db2.gz YSWVOVAKDMFEEZ-LLVKDONJSA-N 2 0 232.318 1.758 20 0 BDADRP CC[NH+](CC)CCCN1CCCC[C@@H]1C[NH2+]C ZINC000883449792 591670386 /nfs/dbraw/zinc/67/03/86/591670386.db2.gz LLTBHUJXWHPEST-CQSZACIVSA-N 2 0 241.423 1.792 20 0 BDADRP [NH3+]CCCCCCC[N@@H+]1CCc2ncncc2C1 ZINC000883462758 591674661 /nfs/dbraw/zinc/67/46/61/591674661.db2.gz ZBZVFTPIUKXUIH-UHFFFAOYSA-N 2 0 248.374 1.744 20 0 BDADRP [NH3+]Cc1cccc(NC(=O)[C@@H]([NH3+])CC2CC2)c1 ZINC000884007279 591795857 /nfs/dbraw/zinc/79/58/57/591795857.db2.gz VUSYHVLHUFYYCR-LBPRGKRZSA-N 2 0 233.315 1.211 20 0 BDADRP CC[S@](=O)CC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000133516077 591811176 /nfs/dbraw/zinc/81/11/76/591811176.db2.gz ORKNYLYHYDNCLK-MEDUHNTESA-N 2 0 246.420 1.075 20 0 BDADRP C[N@H+](CCCCCC[NH3+])[C@@H]1CCOC1 ZINC000134715280 591947941 /nfs/dbraw/zinc/94/79/41/591947941.db2.gz NWUQQNMUBZEKHW-LLVKDONJSA-N 2 0 200.326 1.226 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CC1(CO)CCCC1 ZINC000135062059 591980242 /nfs/dbraw/zinc/98/02/42/591980242.db2.gz WGOVSMHKIMPKID-CHWSQXEVSA-N 2 0 240.391 1.646 20 0 BDADRP CCc1nccc(NC[C@@H]2CCC[N@@H+]2C)n1 ZINC000884567841 591983627 /nfs/dbraw/zinc/98/36/27/591983627.db2.gz SWGZQDLPVRAQAM-JTQLQIEISA-N 2 0 220.320 1.545 20 0 BDADRP C[C@@H]1CCCN(C/C=C\Cl)[C@@H]1C[NH3+] ZINC000216595653 592055071 /nfs/dbraw/zinc/05/50/71/592055071.db2.gz JYLCPNLXHXAUQG-QBNQYXCASA-N 2 0 202.729 1.798 20 0 BDADRP CC1([NH+]2CCCC2)CCC([NH2+]CCCO)CC1 ZINC000886489916 592235718 /nfs/dbraw/zinc/23/57/18/592235718.db2.gz UVPZYNXXNBFXHT-UHFFFAOYSA-N 2 0 240.391 1.756 20 0 BDADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CCCC[NH+](C)C)C1 ZINC000886517982 592242669 /nfs/dbraw/zinc/24/26/69/592242669.db2.gz YVMFBZXIKIYMNF-NEPJUHHUSA-N 2 0 242.363 1.260 20 0 BDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@@H]1C[C@]12CCOC2 ZINC000886829754 592349876 /nfs/dbraw/zinc/34/98/76/592349876.db2.gz GPDFOAYGMYOVIF-MJBXVCDLSA-N 2 0 240.391 1.718 20 0 BDADRP C[N@H+](C[C@H]1C[C@]12CCOC2)C1CC[NH2+]CC1 ZINC000886827153 592351174 /nfs/dbraw/zinc/35/11/74/592351174.db2.gz FTWAHXRFYXPYRR-YPMHNXCESA-N 2 0 224.348 1.097 20 0 BDADRP C[N@H+](C[C@@H]1C[C@@]12CCOC2)C1CCC([NH3+])CC1 ZINC000886830392 592354797 /nfs/dbraw/zinc/35/47/97/592354797.db2.gz QFBKWXLPOSZXPL-GFJIZPEISA-N 2 0 238.375 1.615 20 0 BDADRP CCN(CC[C@H]1CCC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000886848986 592366045 /nfs/dbraw/zinc/36/60/45/592366045.db2.gz XLIDESIODODCLP-CHWSQXEVSA-N 2 0 225.380 1.060 20 0 BDADRP C([C@@H]1CCOC1)[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886870006 592374825 /nfs/dbraw/zinc/37/48/25/592374825.db2.gz NFGOVWMITRKCJY-KBPBESRZSA-N 2 0 238.375 1.489 20 0 BDADRP CC(C)C[C@@H](CNC(=[NH2+])NCC1CC1)[NH+](C)C ZINC000887347111 592484725 /nfs/dbraw/zinc/48/47/25/592484725.db2.gz GQXGMVBHIGCFAQ-LBPRGKRZSA-N 2 0 240.395 1.487 20 0 BDADRP C[C@H](CNC(=[NH2+])NCC1CC1)[NH+]1CCCCC1 ZINC000887351694 592486067 /nfs/dbraw/zinc/48/60/67/592486067.db2.gz XWMBLBUGFSZYKW-LLVKDONJSA-N 2 0 238.379 1.385 20 0 BDADRP COC(C)(C)CC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000300047802 592501887 /nfs/dbraw/zinc/50/18/87/592501887.db2.gz SGEALWIVQDCTEL-NEPJUHHUSA-N 2 0 228.380 1.874 20 0 BDADRP C[C@H]([NH3+])C[N@H+](C)CCCCC1CCOCC1 ZINC000300783337 592519590 /nfs/dbraw/zinc/51/95/90/592519590.db2.gz RXJPBBOZKFFAKS-LBPRGKRZSA-N 2 0 228.380 1.862 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCCCCCO ZINC000300836782 592521073 /nfs/dbraw/zinc/52/10/73/592521073.db2.gz LHVORABGDHDQAI-GFCCVEGCSA-N 2 0 228.380 1.517 20 0 BDADRP CCC[C@H](O)C[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC001577368918 993618990 /nfs/dbraw/zinc/61/89/90/993618990.db2.gz LTHJJMCRQMQVBL-NEPJUHHUSA-N 2 0 214.353 1.351 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)C12CCC2 ZINC000925705144 634386002 /nfs/dbraw/zinc/38/60/02/634386002.db2.gz HYQXUUQFIJNNKL-YNEHKIRRSA-N 3 0 237.391 1.378 20 0 BDADRP C1[C@@H]2C[C@@H]([NH2+][C@H]3CC[NH2+]C34CCC4)C[C@H]12 ZINC000925706632 634391903 /nfs/dbraw/zinc/39/19/03/634391903.db2.gz NWOZKCNOLHSERP-USZNOCQGSA-N 2 0 206.333 1.659 20 0 BDADRP [NH3+]CCCCCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925708211 634398263 /nfs/dbraw/zinc/39/82/63/634398263.db2.gz GYORTOVLQKBQSJ-MEBFFEOJSA-N 3 0 237.391 1.092 20 0 BDADRP [NH3+]C[C@@H](N[C@H]1CC[NH2+]C12CCC2)C1CCCC1 ZINC000925708713 634404561 /nfs/dbraw/zinc/40/45/61/634404561.db2.gz NGEAEOMGUAXCNM-OLZOCXBDSA-N 2 0 237.391 1.378 20 0 BDADRP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@H]2[NH2+][C@@H]1C=CCC1 ZINC000925713510 634417724 /nfs/dbraw/zinc/41/77/24/634417724.db2.gz WFRHRPQBIKFPKS-NZEXEKPDSA-N 2 0 222.332 1.047 20 0 BDADRP C[C@H](C[NH2+][C@@H]1COCC1(C)C)C[NH+]1CCCC1 ZINC000313024107 634438777 /nfs/dbraw/zinc/43/87/77/634438777.db2.gz BQTNZSUUZZYGOW-CHWSQXEVSA-N 2 0 240.391 1.733 20 0 BDADRP CC1(C)C[C@@H](NCC23CC(C2)C[NH2+]3)C[C@@H]([NH3+])C1 ZINC000925715584 634441770 /nfs/dbraw/zinc/44/17/70/634441770.db2.gz JZAVBNOSEDQTDD-BEVNXUHPSA-N 2 0 237.391 1.234 20 0 BDADRP CC1(C)COC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000313096406 634448691 /nfs/dbraw/zinc/44/86/91/634448691.db2.gz DMZUZSAUKGHKKA-AAEUAGOBSA-N 2 0 238.375 1.485 20 0 BDADRP CC1(C)COC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000313096409 634450104 /nfs/dbraw/zinc/45/01/04/634450104.db2.gz DMZUZSAUKGHKKA-WCQYABFASA-N 2 0 238.375 1.485 20 0 BDADRP C[C@@H]1CC[C@H](N[C@H]2CC[NH2+]C23CCCC3)C[NH2+]1 ZINC000925717502 634454543 /nfs/dbraw/zinc/45/45/43/634454543.db2.gz KNXHSOPRUMCNKM-AGIUHOORSA-N 2 0 237.391 1.391 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCCOC2)C12CCC2 ZINC000925720089 634458577 /nfs/dbraw/zinc/45/85/77/634458577.db2.gz FMHFIBYKUGHMAJ-YNEHKIRRSA-N 2 0 238.375 1.663 20 0 BDADRP Cc1cc(N[C@H](C)C[N@H+](C)C(C)C)nc(N)[nH+]1 ZINC000310102138 634463379 /nfs/dbraw/zinc/46/33/79/634463379.db2.gz NUJQYQMPJUPIHF-SNVBAGLBSA-N 2 0 237.351 1.508 20 0 BDADRP CC(C)C[C@@H](C[NH+](C)C)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000093214404 634463706 /nfs/dbraw/zinc/46/37/06/634463706.db2.gz PSQJLECAXLHYHP-IHRRRGAJSA-N 2 0 241.423 1.822 20 0 BDADRP C[C@H]1NCCC[C@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925727991 634527267 /nfs/dbraw/zinc/52/72/67/634527267.db2.gz RTNKCPZLAWUPGK-RKQHYHRCSA-N 2 0 237.391 1.247 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCCN[C@@H]1C)C1CC[NH2+]CC1 ZINC000925728437 634528846 /nfs/dbraw/zinc/52/88/46/634528846.db2.gz VDQBRIGLPZNCIK-WZRBSPASSA-N 2 0 225.380 1.105 20 0 BDADRP [NH3+]C1CC(C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)C1 ZINC000925729739 634551010 /nfs/dbraw/zinc/55/10/10/634551010.db2.gz LNGATNBCLPEERS-OONHEIRLSA-N 2 0 238.375 1.519 20 0 BDADRP C1=C[C@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925732224 634571112 /nfs/dbraw/zinc/57/11/12/634571112.db2.gz PDNCZBQZRILBGK-NWDGAFQWSA-N 2 0 206.333 1.827 20 0 BDADRP Cc1cc([C@@H](C)[NH2+]CCC(C)(C)[NH3+])n(C)n1 ZINC000925739561 634600145 /nfs/dbraw/zinc/60/01/45/634600145.db2.gz YVQUGWUGQOZGJE-SNVBAGLBSA-N 2 0 224.352 1.507 20 0 BDADRP C([NH2+]C1CC[NH2+]CC1)[C@@H]1CC2(CCC2)CO1 ZINC000925774500 635235374 /nfs/dbraw/zinc/23/53/74/635235374.db2.gz WBTQZHRRYLZTJT-LBPRGKRZSA-N 2 0 224.348 1.287 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000925805786 635359947 /nfs/dbraw/zinc/35/99/47/635359947.db2.gz VXGHHLHCOQCSMM-CLPYTZEMSA-N 2 0 208.349 1.892 20 0 BDADRP C[C@@H]([NH2+][C@@H]1C[C@H]1[C@@H]1C[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000925822183 635399652 /nfs/dbraw/zinc/39/96/52/635399652.db2.gz JGBWCKKAWRAAFJ-RBBWPXTMSA-N 2 0 208.349 1.761 20 0 BDADRP C[NH2+]CC1CC[NH+](CCCCCCO)CC1 ZINC000226420737 635433904 /nfs/dbraw/zinc/43/39/04/635433904.db2.gz DWFZSGZSGDJKDH-UHFFFAOYSA-N 2 0 228.380 1.471 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000925829063 635458775 /nfs/dbraw/zinc/45/87/75/635458775.db2.gz ALCDJYXPBZXELA-NWBUJAPZSA-N 2 0 224.348 1.293 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCS[C@H](C)C1)C1C[NH2+]C1 ZINC000925857598 635550475 /nfs/dbraw/zinc/55/04/75/635550475.db2.gz HNTAKWVAQSDMKE-WCABBAIRSA-N 2 0 214.378 1.468 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000925877907 635602643 /nfs/dbraw/zinc/60/26/43/635602643.db2.gz XVLUMIOBXLEIFM-OLZOCXBDSA-N 3 0 239.407 1.576 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCOC2CCOCC2)C1 ZINC000925878797 635606155 /nfs/dbraw/zinc/60/61/55/635606155.db2.gz ZXGHZYILUKFIJJ-RYUDHWBXSA-N 2 0 242.363 1.042 20 0 BDADRP CC[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCCC[NH2+]1 ZINC000925881198 635608364 /nfs/dbraw/zinc/60/83/64/635608364.db2.gz YZSJHPYWEARMRJ-RQJABVFESA-N 3 0 239.407 1.624 20 0 BDADRP Cc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1C ZINC000090319979 631247455 /nfs/dbraw/zinc/24/74/55/631247455.db2.gz UMFINEDHLVMPMB-HUUCEWRRSA-N 2 0 230.355 1.955 20 0 BDADRP CO[C@@H]1C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)C12CCC2 ZINC000308369471 631306204 /nfs/dbraw/zinc/30/62/04/631306204.db2.gz OIADIRIIDBECBS-YNEHKIRRSA-N 2 0 240.391 1.874 20 0 BDADRP C[NH+]1CCC(C[NH2+]C[C@H]2CCC[C@@H]2O)CC1 ZINC000084230337 631437758 /nfs/dbraw/zinc/43/77/58/631437758.db2.gz QAJIIWWWPLHRQN-OLZOCXBDSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H]1COCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000891695997 631452152 /nfs/dbraw/zinc/45/21/52/631452152.db2.gz GZFXVLFEKLEABJ-LLVKDONJSA-N 2 0 212.337 1.049 20 0 BDADRP C[C@@H](O)CCC[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933733239 631494681 /nfs/dbraw/zinc/49/46/81/631494681.db2.gz GVLYLCHDPGJTKM-FRRDWIJNSA-N 2 0 226.364 1.031 20 0 BDADRP C[C@@H](CNC1CC[NH+](C)CC1)C[NH+]1CCCC1 ZINC000062077956 631644787 /nfs/dbraw/zinc/64/47/87/631644787.db2.gz SKLMREOACNVWPG-ZDUSSCGKSA-N 2 0 239.407 1.402 20 0 BDADRP COC[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000234710657 631668755 /nfs/dbraw/zinc/66/87/55/631668755.db2.gz RYLBSQSQVIDPHS-BFHYXJOUSA-N 2 0 240.391 1.733 20 0 BDADRP CC[N@@H+]1CC[C@H](CNC(=[NH2+])NC2CCCC2)C1 ZINC000051691811 631868748 /nfs/dbraw/zinc/86/87/48/631868748.db2.gz MFBQSOWISULKPZ-LLVKDONJSA-N 2 0 238.379 1.385 20 0 BDADRP CSC1(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CCC1 ZINC000235092849 631978407 /nfs/dbraw/zinc/97/84/07/631978407.db2.gz FKSAEPXIZDGFJO-GHMZBOCLSA-N 2 0 228.405 1.989 20 0 BDADRP CSC1(C[NH2+][C@H]2CCC[C@H]2C[NH3+])CCC1 ZINC000235120759 631984735 /nfs/dbraw/zinc/98/47/35/631984735.db2.gz FKSAEPXIZDGFJO-QWRGUYRKSA-N 2 0 228.405 1.989 20 0 BDADRP CC(C)(C)NC(=[NH2+])NCC[NH+]1CCCCC1 ZINC000052043898 632051344 /nfs/dbraw/zinc/05/13/44/632051344.db2.gz IHVVOQXUCNAZOJ-UHFFFAOYSA-N 2 0 226.368 1.385 20 0 BDADRP C[NH+]1CCC(C[NH2+]CC2CCOCC2)CC1 ZINC000052172560 632093583 /nfs/dbraw/zinc/09/35/83/632093583.db2.gz XRTINCVCEGNZNC-UHFFFAOYSA-N 2 0 226.364 1.344 20 0 BDADRP C[NH2+]C[C@@H]1CCCN1C(=O)CCCCCC[NH3+] ZINC000237071936 635733714 /nfs/dbraw/zinc/73/37/14/635733714.db2.gz GHAOWTIFZUKTLZ-LBPRGKRZSA-N 2 0 241.379 1.106 20 0 BDADRP CSCC[C@H](C)[N@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000156904425 632405994 /nfs/dbraw/zinc/40/59/94/632405994.db2.gz OHKDYJMHJDDJHS-WOPDTQHZSA-N 2 0 230.421 1.915 20 0 BDADRP C([C@H]1CC[NH2+]C1)[N@@H+]1CCC2(CCCC2)C1 ZINC000308913710 632417369 /nfs/dbraw/zinc/41/73/69/632417369.db2.gz HMHZZSNXLMNUQK-LBPRGKRZSA-N 2 0 208.349 1.862 20 0 BDADRP C[C@@H]([NH2+][C@H]1C[C@@H](O)C1)c1cccc(C[NH+](C)C)c1 ZINC000926552677 632491509 /nfs/dbraw/zinc/49/15/09/632491509.db2.gz XBHPCYRIAQZWSA-DFBGVHRSSA-N 2 0 248.370 1.922 20 0 BDADRP C[C@H]1[C@H](C)OC[C@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000926559067 632532853 /nfs/dbraw/zinc/53/28/53/632532853.db2.gz LSFHVVUYDZESQS-SGMGOOAPSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000251211275 632544354 /nfs/dbraw/zinc/54/43/54/632544354.db2.gz MLUAIXUIPBFLDD-MROQNXINSA-N 2 0 226.364 1.674 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000235334308 632673403 /nfs/dbraw/zinc/67/34/03/632673403.db2.gz HZLSABUIZNZRBW-KKOKHZNYSA-N 2 0 228.405 1.668 20 0 BDADRP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000309983147 632689435 /nfs/dbraw/zinc/68/94/35/632689435.db2.gz IKGBFMJNNUWEDG-MJBXVCDLSA-N 2 0 238.375 1.175 20 0 BDADRP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CCCCCC[NH3+] ZINC000310182598 632706796 /nfs/dbraw/zinc/70/67/96/632706796.db2.gz WSLNZONMQZWKOC-NEPJUHHUSA-N 2 0 241.379 1.091 20 0 BDADRP [NH3+][C@H](CC(F)F)CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000310420077 632737732 /nfs/dbraw/zinc/73/77/32/632737732.db2.gz YSSHLYTXSRRSLF-GHMZBOCLSA-N 2 0 247.333 1.139 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCCCCCO)C2)C1 ZINC000310532028 632756445 /nfs/dbraw/zinc/75/64/45/632756445.db2.gz QCKDJTVQSHDEFX-CQSZACIVSA-N 2 0 240.391 1.567 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@]1(C)CC1(F)F ZINC000926702428 632838582 /nfs/dbraw/zinc/83/85/82/632838582.db2.gz BVOVTYGAHFJVQP-MBYGNEARSA-N 2 0 244.329 1.962 20 0 BDADRP CCCCOCC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000309258489 632850483 /nfs/dbraw/zinc/85/04/83/632850483.db2.gz BJMPUYBCPDCSOT-QWHCGFSZSA-N 2 0 226.364 1.344 20 0 BDADRP CNC(=[NH2+])NC[C@@H](CC(C)C)[NH+]1CCCC1 ZINC000066245086 632859216 /nfs/dbraw/zinc/85/92/16/632859216.db2.gz XAQSPDZKRKKGHT-LLVKDONJSA-N 2 0 226.368 1.031 20 0 BDADRP CNC(=[NH2+])NC[C@H](C1CCCCC1)[NH+](C)C ZINC000066245355 632861287 /nfs/dbraw/zinc/86/12/87/632861287.db2.gz NMAFWJFYZWCYLT-LLVKDONJSA-N 2 0 226.368 1.031 20 0 BDADRP CC(C)CC[NH+]1CCC([NH2+]CC(C)(C)O)CC1 ZINC000925022519 635855558 /nfs/dbraw/zinc/85/55/58/635855558.db2.gz GXMXPRJZEAVKJJ-UHFFFAOYSA-N 2 0 242.407 1.857 20 0 BDADRP CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000164002420 633067850 /nfs/dbraw/zinc/06/78/50/633067850.db2.gz XELHXJGEZRLISO-OBJOEFQTSA-N 2 0 242.407 1.713 20 0 BDADRP Cc1cc(N)nc(NCC[C@H](C)[NH+](C)C)[nH+]1 ZINC000894521323 635903385 /nfs/dbraw/zinc/90/33/85/635903385.db2.gz MWYNUYMONUXREZ-VIFPVBQESA-N 2 0 223.324 1.119 20 0 BDADRP C[N@H+](Cc1cocn1)C1CCC([NH3+])CC1 ZINC000309501278 633181892 /nfs/dbraw/zinc/18/18/92/633181892.db2.gz VAEMTGPUVMDGLO-UHFFFAOYSA-N 2 0 209.293 1.376 20 0 BDADRP CC1([NH3+])CC[NH+](CCCCCCO)CC1 ZINC000309509613 633183716 /nfs/dbraw/zinc/18/37/16/633183716.db2.gz WYTUIUQDMAFZOJ-UHFFFAOYSA-N 2 0 214.353 1.352 20 0 BDADRP C[C@@H]1[C@@H](CO)CCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000894939430 636010105 /nfs/dbraw/zinc/01/01/05/636010105.db2.gz KOCNALOUFCNCJE-TZMCWYRMSA-N 2 0 240.391 1.421 20 0 BDADRP C[N@H+](CC1CCOCC1)CC1CC[NH+](C)CC1 ZINC000336715945 636000442 /nfs/dbraw/zinc/00/04/42/636000442.db2.gz VIAFTMHZHGHUNC-UHFFFAOYSA-N 2 0 240.391 1.687 20 0 BDADRP CCSCCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328449511 633767237 /nfs/dbraw/zinc/76/72/37/633767237.db2.gz PCYPQQMTJJAWHZ-NWBUJAPZSA-N 2 0 240.416 1.716 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328564650 633776527 /nfs/dbraw/zinc/77/65/27/633776527.db2.gz KRMAPPCQACORNU-OLPJOPMJSA-N 2 0 206.333 1.228 20 0 BDADRP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328565776 633776576 /nfs/dbraw/zinc/77/65/76/633776576.db2.gz LYVWNHHRWBVENH-VWBGDHHKSA-N 2 0 220.360 1.761 20 0 BDADRP C1[NH2+][C@H]2[C@H]([NH2+]C3CCCCC3)[C@H]3C[C@H]1[C@@H]2C3 ZINC000328567242 633777290 /nfs/dbraw/zinc/77/72/90/633777290.db2.gz NPTOLLLSTXDAIL-SZZQBSIJSA-N 2 0 220.360 1.905 20 0 BDADRP C[N@H+](CCC1SCCS1)C1CC[NH2+]CC1 ZINC000853023384 633796576 /nfs/dbraw/zinc/79/65/76/633796576.db2.gz VRDZUCQZHRIUBY-UHFFFAOYSA-N 2 0 246.445 1.866 20 0 BDADRP CC1(C)C[C@@H]([NH2+][C@@H]2CCC[C@@H](O)C2)C[C@@H]([NH3+])C1 ZINC000925501448 633823432 /nfs/dbraw/zinc/82/34/32/633823432.db2.gz ISNOWZISULTDIS-FVCCEPFGSA-N 2 0 240.391 1.786 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H](C)CCO)CC1 ZINC000309050269 633844556 /nfs/dbraw/zinc/84/45/56/633844556.db2.gz QRVIRZNHGKSUPI-LLVKDONJSA-N 2 0 214.353 1.079 20 0 BDADRP CC(C)[NH+](CCN[C@H]1CC[NH2+]C1(C)C)C(C)C ZINC000925508925 633845298 /nfs/dbraw/zinc/84/52/98/633845298.db2.gz JKRUIVYDJRFVKJ-ZDUSSCGKSA-N 2 0 241.423 1.835 20 0 BDADRP C[C@H](CCCO)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925548035 633989406 /nfs/dbraw/zinc/98/94/06/633989406.db2.gz FSSSWIQLFBIXIQ-WOPDTQHZSA-N 2 0 228.380 1.643 20 0 BDADRP C[C@H](CNC(=[NH2+])NC1CCCC1)C[NH+](C)C ZINC000309724781 633998187 /nfs/dbraw/zinc/99/81/87/633998187.db2.gz CUNCQMNHVSIVCJ-SNVBAGLBSA-N 2 0 226.368 1.241 20 0 BDADRP CCC1CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000309983022 634024912 /nfs/dbraw/zinc/02/49/12/634024912.db2.gz OEIYBDPPAAVUEO-AWEZNQCLSA-N 2 0 240.391 1.565 20 0 BDADRP COC[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000053196304 634069412 /nfs/dbraw/zinc/06/94/12/634069412.db2.gz VFEJOARJEMMJPT-STQMWFEESA-N 2 0 228.380 1.733 20 0 BDADRP C[C@H]1CC[C@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000310423509 634146000 /nfs/dbraw/zinc/14/60/00/634146000.db2.gz ZOAIAOIDMNZQOJ-QWHCGFSZSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@@H](CO)[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925617511 634165888 /nfs/dbraw/zinc/16/58/88/634165888.db2.gz WKSFKORJLZYFLY-WCFLWFBJSA-N 2 0 226.364 1.125 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H](CCO)C2CC2)C12CCC2 ZINC000925619850 634178493 /nfs/dbraw/zinc/17/84/93/634178493.db2.gz RHHMYQRKMLFHLY-TUAOUCFPSA-N 2 0 224.348 1.007 20 0 BDADRP CC(C)(CCO)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925621667 634181518 /nfs/dbraw/zinc/18/15/18/634181518.db2.gz GCTRPLWTAYFRTK-NSHDSACASA-N 2 0 226.364 1.269 20 0 BDADRP C/C=C/C[C@H](CO)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925642175 634188902 /nfs/dbraw/zinc/18/89/02/634188902.db2.gz ROGXIURUVWFVEK-GKBWCTFZSA-N 2 0 224.348 1.173 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCn3ccnc3C2)C12CCC2 ZINC000925643427 634194961 /nfs/dbraw/zinc/19/49/61/634194961.db2.gz IMRCISFMKNRCND-UTUOFQBUSA-N 2 0 246.358 1.057 20 0 BDADRP CC(C)(O)CC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925645800 634200520 /nfs/dbraw/zinc/20/05/20/634200520.db2.gz SHISAMMJEORCLZ-GHMZBOCLSA-N 2 0 228.380 1.643 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)N[C@@H]1CCC[NH2+][C@H]1C ZINC000925676489 634266166 /nfs/dbraw/zinc/26/61/66/634266166.db2.gz MQERRNAVSQKQCI-MELADBBJSA-N 2 0 241.423 1.837 20 0 BDADRP C[C@@H](CCCO)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925679050 634274553 /nfs/dbraw/zinc/27/45/53/634274553.db2.gz HIHVZLBMPCXSCH-QWRGUYRKSA-N 2 0 214.353 1.125 20 0 BDADRP C[C@@H](CCO)CC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925679906 634277133 /nfs/dbraw/zinc/27/71/33/634277133.db2.gz LLUCCWJJTOVDLG-CHWSQXEVSA-N 2 0 240.391 1.659 20 0 BDADRP C[C@@H](CCO)CC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925680893 634279504 /nfs/dbraw/zinc/27/95/04/634279504.db2.gz RULATRVXRFOWIG-MNOVXSKESA-N 2 0 214.353 1.125 20 0 BDADRP CC[NH2+]CCCN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925689829 634309231 /nfs/dbraw/zinc/30/92/31/634309231.db2.gz IRYXEAGHNHUVOD-VXGBXAGGSA-N 2 0 227.396 1.482 20 0 BDADRP COCC[N@H+](C)CCC[NH2+]C[C@@H]1CCC=CO1 ZINC000194206266 634309900 /nfs/dbraw/zinc/30/99/00/634309900.db2.gz RMGFSIUIMBXCGR-ZDUSSCGKSA-N 2 0 242.363 1.237 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]C[C@H]2CCCC[C@@H]2O)C12CCC2 ZINC000925690602 634313904 /nfs/dbraw/zinc/31/39/04/634313904.db2.gz KPXRNNGFPZOIHF-MROQNXINSA-N 2 0 238.375 1.397 20 0 BDADRP C[C@H]([NH3+])[C@H](NC[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000925693508 634328946 /nfs/dbraw/zinc/32/89/46/634328946.db2.gz PALMZWNWCKZPAW-QEJZJMRPSA-N 2 0 247.386 1.807 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000925695343 634346621 /nfs/dbraw/zinc/34/66/21/634346621.db2.gz VUZDSWJVHJEKOJ-OMXXWXSESA-N 3 0 237.391 1.092 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+][C@H]2C[C@@H](O)C2)C1 ZINC000925695457 634348985 /nfs/dbraw/zinc/34/89/85/634348985.db2.gz XASBXICYWZDQEM-UKKRHICBSA-N 2 0 212.337 1.005 20 0 BDADRP C[C@H]([NH3+])[C@H](NC[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000925696945 634357353 /nfs/dbraw/zinc/35/73/53/634357353.db2.gz CCDJWENXCBNDHC-SCRDCRAPSA-N 2 0 233.359 1.274 20 0 BDADRP CC[C@@H](O)CCC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000398469095 634365339 /nfs/dbraw/zinc/36/53/39/634365339.db2.gz DNPCGPIOBNXRMW-TZMCWYRMSA-N 2 0 242.407 1.857 20 0 BDADRP CC1(C)C[C@@H](NC[C@H]([NH3+])C2CC2)C[C@@H]([NH3+])C1 ZINC000925699141 634366735 /nfs/dbraw/zinc/36/67/35/634366735.db2.gz NDACVBATHLYOQC-WOPDTQHZSA-N 2 0 225.380 1.219 20 0 BDADRP C[C@@]1(CN[C@@H]2CC[NH2+]C23CCC3)CCC[NH2+]C1 ZINC000925699084 634366929 /nfs/dbraw/zinc/36/69/29/634366929.db2.gz MSKIPTIZCUIOLS-CHWSQXEVSA-N 2 0 237.391 1.250 20 0 BDADRP C[C@H]([NH3+])C[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000925699575 634368446 /nfs/dbraw/zinc/36/84/46/634368446.db2.gz KPMKGAMGZFCMEH-NNYUYHANSA-N 2 0 212.337 1.128 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@H]1CC[NH2+]C12CCCC2 ZINC000925700617 634370118 /nfs/dbraw/zinc/37/01/18/634370118.db2.gz VYHMLLFTOFHDBD-OLZOCXBDSA-N 2 0 239.407 1.768 20 0 BDADRP C[C@H]([NH3+])[C@H](N[C@@H](C)C[NH3+])c1ccccc1 ZINC000925700473 634370443 /nfs/dbraw/zinc/37/04/43/634370443.db2.gz QFEDVKODMITMGH-NHCYSSNCSA-N 2 0 207.321 1.012 20 0 BDADRP CC1(C)C[C@@H](N[C@H](C[NH3+])C2CC2)C[C@@H]([NH3+])C1 ZINC000925700541 634370720 /nfs/dbraw/zinc/37/07/20/634370720.db2.gz UEFHQAPFBRPSDL-GRYCIOLGSA-N 2 0 225.380 1.219 20 0 BDADRP NC(=O)CC1CC[NH+](CCCCCC[NH3+])CC1 ZINC000310125032 635158103 /nfs/dbraw/zinc/15/81/03/635158103.db2.gz IWYYFTGYGQGFAU-UHFFFAOYSA-N 2 0 241.379 1.093 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CC(C)(C)CO1)[C@H]1CCC[NH2+]1 ZINC000925775786 635249844 /nfs/dbraw/zinc/24/98/44/635249844.db2.gz SNMGQLLHBKEKGU-FRRDWIJNSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cccnc1 ZINC000925796484 635335093 /nfs/dbraw/zinc/33/50/93/635335093.db2.gz KTFVIXAPIOIBQI-JHJVBQTASA-N 2 0 233.359 1.978 20 0 BDADRP CCc1onc(C)c1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000925891678 635618234 /nfs/dbraw/zinc/61/82/34/635618234.db2.gz WSQPPSZRKISSAN-CMPLNLGQSA-N 2 0 237.347 1.762 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccnnc1 ZINC000924961643 635808472 /nfs/dbraw/zinc/80/84/72/635808472.db2.gz AOIMHFZPTXPDGD-LLVKDONJSA-N 2 0 234.347 1.469 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1ccco1 ZINC000084215981 636875777 /nfs/dbraw/zinc/87/57/77/636875777.db2.gz UDCAOJYQQWQFPN-DGCLKSJQSA-N 2 0 222.332 1.929 20 0 BDADRP CC(C)(C)[NH2+]CCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000086932290 636891150 /nfs/dbraw/zinc/89/11/50/636891150.db2.gz UHPUMQWJJGRJAV-GFCCVEGCSA-N 2 0 225.380 1.155 20 0 BDADRP CCC[NH+]1CCN(c2cc[nH+]c(CO)c2)CC1 ZINC000042372591 637193804 /nfs/dbraw/zinc/19/38/04/637193804.db2.gz QMYBGAFQQYSSBJ-UHFFFAOYSA-N 2 0 235.331 1.106 20 0 BDADRP [NH3+]CCCCCCC[NH+]1CCN(C2CC2)CC1 ZINC000042491239 637274290 /nfs/dbraw/zinc/27/42/90/637274290.db2.gz LFQWCNGGUOLROA-UHFFFAOYSA-N 2 0 239.407 1.676 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902363590 637301272 /nfs/dbraw/zinc/30/12/72/637301272.db2.gz XDHADMVYDDPZRT-NWDGAFQWSA-N 2 0 228.380 1.371 20 0 BDADRP O[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903204607 637355461 /nfs/dbraw/zinc/35/54/61/637355461.db2.gz WCTGHAIILVOMAI-TZUOQKNYSA-N 2 0 236.359 1.257 20 0 BDADRP [NH3+][C@H]1CCc2ccccc2N(C[C@H]2CCC[NH2+]2)C1 ZINC000903463926 637364151 /nfs/dbraw/zinc/36/41/51/637364151.db2.gz SLTOUFAINDAYCE-UONOGXRCSA-N 2 0 245.370 1.519 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H](C)[C@@H]1CCO ZINC000903463631 637364852 /nfs/dbraw/zinc/36/48/52/637364852.db2.gz HDQFLIYVWHUHKF-MQYQWHSLSA-N 2 0 240.391 1.325 20 0 BDADRP CCC[N@H+](CC)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903725263 637379879 /nfs/dbraw/zinc/37/98/79/637379879.db2.gz YMSFQXOUNDKHNB-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP CCC[C@H](C)[N@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903721938 637380032 /nfs/dbraw/zinc/38/00/32/637380032.db2.gz GGZAGHDORCOKFQ-MELADBBJSA-N 2 0 240.391 1.875 20 0 BDADRP CC[N@H+](C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903724846 637380160 /nfs/dbraw/zinc/38/01/60/637380160.db2.gz RDCWNYPZWBOXGB-CHWSQXEVSA-N 2 0 224.348 1.239 20 0 BDADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCc1ccncc1)C2 ZINC000903841125 637384787 /nfs/dbraw/zinc/38/47/87/637384787.db2.gz BCWFNIQPZLFOFF-KKUMJFAQSA-N 2 0 245.370 1.826 20 0 BDADRP O[C@@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C[C@@H]1F ZINC000903841597 637385305 /nfs/dbraw/zinc/38/53/05/637385305.db2.gz YJHJBEJYKIRYSM-QWHCGFSZSA-N 2 0 244.354 1.171 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000904431001 637400414 /nfs/dbraw/zinc/40/04/14/637400414.db2.gz VPLUVCYMTOVSPP-UONOGXRCSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@H]1C[C@H](C[NH2+][C@]23C[C@H]2CCC3)CC[NH2+]1 ZINC000904444939 637413702 /nfs/dbraw/zinc/41/37/02/637413702.db2.gz UAYNWGGEPDSWBH-UMSGYPCISA-N 2 0 208.349 1.907 20 0 BDADRP CC(C)([NH3+])c1ccc(NCCC[NH3+])cc1 ZINC000904475089 637426057 /nfs/dbraw/zinc/42/60/57/637426057.db2.gz HZSVHFWVJGWCLJ-UHFFFAOYSA-N 2 0 207.321 1.641 20 0 BDADRP C[C@@](O)(C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)C(F)F ZINC000905058431 637594160 /nfs/dbraw/zinc/59/41/60/637594160.db2.gz GPHXDACETQVGPX-BXKDBHETSA-N 2 0 248.317 1.076 20 0 BDADRP C[C@@H]([NH2+]C[C@](C)(O)C(F)F)C1=CC[N@H+](C)CC1 ZINC000905202204 637693697 /nfs/dbraw/zinc/69/36/97/637693697.db2.gz GFVBYGGXPDCHNF-SKDRFNHKSA-N 2 0 248.317 1.243 20 0 BDADRP [NH3+]Cc1ccccc1-c1nc([C@H]2CCC[NH2+]2)no1 ZINC000905304505 637762577 /nfs/dbraw/zinc/76/25/77/637762577.db2.gz LELYIUBLKCSEMR-LLVKDONJSA-N 2 0 244.298 1.620 20 0 BDADRP C[C@@H](O)C[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000905601863 637852447 /nfs/dbraw/zinc/85/24/47/637852447.db2.gz RFEGDPPXQIGGNL-PNESKVBLSA-N 2 0 226.364 1.364 20 0 BDADRP CC(C)(C[NH2+]C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000905640334 637878666 /nfs/dbraw/zinc/87/86/66/637878666.db2.gz KUAPBJLDVDXOAR-ZDUSSCGKSA-N 2 0 240.391 1.469 20 0 BDADRP OC/C=C/C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000668489754 637934239 /nfs/dbraw/zinc/93/42/39/637934239.db2.gz MCFCJRWAUWACNK-OWOJBTEDSA-N 2 0 247.342 1.189 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(-n3ccnc3)cc2)C1 ZINC000906508032 638178935 /nfs/dbraw/zinc/17/89/35/638178935.db2.gz IDVAHRDGZJDPNP-JOCQHMNTSA-N 3 0 242.326 1.452 20 0 BDADRP Cc1cccc(C[NH2+]C2CC([NH3+])C2)c1C ZINC000906508283 638179087 /nfs/dbraw/zinc/17/90/87/638179087.db2.gz KLLWSDDZCDZCOD-UHFFFAOYSA-N 2 0 204.317 1.883 20 0 BDADRP Cc1cc(C[NH2+][C@H]2C[C@H]([NH3+])C2)c(C)s1 ZINC000906508672 638181902 /nfs/dbraw/zinc/18/19/02/638181902.db2.gz UGNQVJNOJZATMY-XYPYZODXSA-N 2 0 210.346 1.944 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc3c[nH]nc3c2)C1 ZINC000906508650 638182511 /nfs/dbraw/zinc/18/25/11/638182511.db2.gz SMYFBVSSOXWPSW-XYPYZODXSA-N 2 0 216.288 1.142 20 0 BDADRP [NH3+]C1CC([NH2+]Cc2c[nH]nc2-c2cccs2)C1 ZINC000906510707 638184238 /nfs/dbraw/zinc/18/42/38/638184238.db2.gz RNOTVZCTZGQNJS-UHFFFAOYSA-N 2 0 248.355 1.718 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]CCSCc2ccccc2)C1 ZINC000906519235 638187134 /nfs/dbraw/zinc/18/71/34/638187134.db2.gz VVKHEHQUSZFXOM-JOCQHMNTSA-N 2 0 236.384 1.999 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2c[nH]nc2-c2ccsc2)C1 ZINC000906518925 638187285 /nfs/dbraw/zinc/18/72/85/638187285.db2.gz VBHNLUUIRRIRID-XYPYZODXSA-N 2 0 248.355 1.718 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc3cnccc3c2)C1 ZINC000906517608 638188115 /nfs/dbraw/zinc/18/81/15/638188115.db2.gz IRPJLNOPMUZCGL-HDJSIYSDSA-N 2 0 227.311 1.814 20 0 BDADRP CCCC[NH2+]C[C@H](CC[NH+](C)C)OCC ZINC000906527973 638192779 /nfs/dbraw/zinc/19/27/79/638192779.db2.gz PGWUZMQVJQEYEX-LBPRGKRZSA-N 2 0 216.369 1.733 20 0 BDADRP CCCC[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000906529167 638194570 /nfs/dbraw/zinc/19/45/70/638194570.db2.gz GSMSEXDZHNDIMB-ZDUSSCGKSA-N 2 0 240.391 1.877 20 0 BDADRP Fc1cccc([C@@H]2C[C@@H]2[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000906584539 638218936 /nfs/dbraw/zinc/21/89/36/638218936.db2.gz PHXVZAUUSLJBMI-JURCDPSOSA-N 2 0 246.329 1.833 20 0 BDADRP [NH3+]Cc1cccc(NC(=O)C2=CCC[NH2+]CC2)c1 ZINC000911650007 639706730 /nfs/dbraw/zinc/70/67/30/639706730.db2.gz ZWHSQMBTULZNOP-UHFFFAOYSA-N 2 0 245.326 1.394 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)CC2CC([NH3+])C2)c1 ZINC000911688343 639727462 /nfs/dbraw/zinc/72/74/62/639727462.db2.gz NBSWDMKOFKLXKP-UHFFFAOYSA-N 2 0 247.342 1.472 20 0 BDADRP CC(C)C[C@@H]([NH3+])CC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000911713445 639740214 /nfs/dbraw/zinc/74/02/14/639740214.db2.gz ICTLMSLROVVJES-VXGBXAGGSA-N 2 0 241.379 1.008 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000911834515 639845638 /nfs/dbraw/zinc/84/56/38/639845638.db2.gz VNJSVOVTMFIGKL-AAEUAGOBSA-N 2 0 243.395 1.240 20 0 BDADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N[C@H](C[NH3+])CC(C)C ZINC000911817788 639849978 /nfs/dbraw/zinc/84/99/78/639849978.db2.gz GVPKDWSURZIKSO-SRVKXCTJSA-N 2 0 243.395 1.240 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)C[C@H]([NH3+])CC(C)C ZINC000911883262 639867406 /nfs/dbraw/zinc/86/74/06/639867406.db2.gz XWWBHPVDWIAWSQ-NEPJUHHUSA-N 2 0 243.395 1.384 20 0 BDADRP CC[C@@H]1C[C@H]1C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000930902650 639979940 /nfs/dbraw/zinc/97/99/40/639979940.db2.gz DLJWOXGREHAXKA-RDBSUJKOSA-N 2 0 240.391 1.421 20 0 BDADRP C[C@@H]1COC[C@H]1[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000924844600 640002624 /nfs/dbraw/zinc/00/26/24/640002624.db2.gz VUKARYKENYRRHU-BXUZGUMPSA-N 2 0 238.375 1.628 20 0 BDADRP CC(C)C[N@@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931309362 640145123 /nfs/dbraw/zinc/14/51/23/640145123.db2.gz QSHAONOFUHXKMM-BETUJISGSA-N 2 0 210.365 1.916 20 0 BDADRP C[NH+]1C[C@]2(C)CN(CCn3ccnc3)C[C@@]2(C)C1 ZINC000931310362 640147610 /nfs/dbraw/zinc/14/76/10/640147610.db2.gz DQFIFHBACJSHOL-ZIAGYGMSSA-N 2 0 248.374 1.157 20 0 BDADRP COCCC[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931349926 640168672 /nfs/dbraw/zinc/16/86/72/640168672.db2.gz BEUYGYNLILLBDL-UHFFFAOYSA-N 2 0 214.353 1.439 20 0 BDADRP C[NH+](C)C1(C)CCN(C[C@H]2CCC[N@@H+]2C)CC1 ZINC000931353432 640168768 /nfs/dbraw/zinc/16/87/68/640168768.db2.gz BZOBDJMBTXKUDY-CYBMUJFWSA-N 2 0 239.407 1.497 20 0 BDADRP CC(C)[C@@H](O)CC[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931356033 640169220 /nfs/dbraw/zinc/16/92/20/640169220.db2.gz DLSNDPIIHSHDOP-ZDUSSCGKSA-N 2 0 242.407 1.810 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](C/C=C/Cl)C[C@@H]2C1 ZINC000931428955 640197102 /nfs/dbraw/zinc/19/71/02/640197102.db2.gz DNNGIODMDBIPCW-BOCAPUTCSA-N 2 0 214.740 1.622 20 0 BDADRP Cc1ccnc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c1 ZINC000931435321 640201358 /nfs/dbraw/zinc/20/13/58/640201358.db2.gz BQSWKIPHAQFBLG-KGLIPLIRSA-N 2 0 245.370 1.774 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](CCC3CC3)C[C@@H]2C1 ZINC000931435061 640203683 /nfs/dbraw/zinc/20/36/83/640203683.db2.gz FPRQHHYKBBPBLS-OLZOCXBDSA-N 2 0 208.349 1.670 20 0 BDADRP C[C@@H](O)CCC[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931438712 640204404 /nfs/dbraw/zinc/20/44/04/640204404.db2.gz YHVAEEPVKKBZNJ-FRRDWIJNSA-N 2 0 226.364 1.031 20 0 BDADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C1CCCC1 ZINC000150981375 640247346 /nfs/dbraw/zinc/24/73/46/640247346.db2.gz OLLWPEIQELUACK-ZDUSSCGKSA-N 2 0 228.380 1.875 20 0 BDADRP COC[C@H](C)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000045655934 640616300 /nfs/dbraw/zinc/61/63/00/640616300.db2.gz WMXKLGKMLCNJTB-GFCCVEGCSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCc2cccs2)C1 ZINC000166225451 640623067 /nfs/dbraw/zinc/62/30/67/640623067.db2.gz YKBMRYUAWACJOY-QWRGUYRKSA-N 2 0 224.373 1.960 20 0 BDADRP C[C@@H]([NH2+]CCCCCCO)C1CC[NH+](C)CC1 ZINC000224779339 640643677 /nfs/dbraw/zinc/64/36/77/640643677.db2.gz PLRIUGRGPJPKHZ-CYBMUJFWSA-N 2 0 242.407 1.859 20 0 BDADRP CCO[C@H]1CC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000932969278 640655921 /nfs/dbraw/zinc/65/59/21/640655921.db2.gz AIDRDBBCMDDYLM-OLZOCXBDSA-N 2 0 226.364 1.582 20 0 BDADRP C1=CO[C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000157452626 640684900 /nfs/dbraw/zinc/68/49/00/640684900.db2.gz SSZWOUTVAVIEGE-IHRRRGAJSA-N 2 0 236.359 1.896 20 0 BDADRP CC(C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000226077298 640726808 /nfs/dbraw/zinc/72/68/08/640726808.db2.gz HEOKLUSAHMNYPZ-FRRDWIJNSA-N 2 0 228.380 1.501 20 0 BDADRP C[C@@H]1C[C@@H]1C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933734102 640755957 /nfs/dbraw/zinc/75/59/57/640755957.db2.gz LOTAKYIYZDWTOJ-FVCCEPFGSA-N 2 0 208.349 1.526 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933734841 640760737 /nfs/dbraw/zinc/76/07/37/640760737.db2.gz SCQPXAGFTVPNRL-XDQVBPFNSA-N 2 0 238.375 1.295 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCCCCCO)C1 ZINC000226540773 640773986 /nfs/dbraw/zinc/77/39/86/640773986.db2.gz KXTHJEVRMWPTET-VXGBXAGGSA-N 2 0 214.353 1.208 20 0 BDADRP C(C[C@H]1CCCO1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000226829591 640799574 /nfs/dbraw/zinc/79/95/74/640799574.db2.gz XSNCLKOMIIAARE-BFHYXJOUSA-N 2 0 238.375 1.772 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC000227212024 640820956 /nfs/dbraw/zinc/82/09/56/640820956.db2.gz RCJMYMRMARDSKV-KWCYVHTRSA-N 2 0 234.343 1.389 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)C1 ZINC000227813661 640849715 /nfs/dbraw/zinc/84/97/15/640849715.db2.gz SQHYZMSAMXQEOG-QNWHQSFQSA-N 2 0 224.348 1.367 20 0 BDADRP Cc1cncc(C[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000228683444 640889088 /nfs/dbraw/zinc/88/90/88/640889088.db2.gz RNLYNPPJGGETLE-UHFFFAOYSA-N 2 0 233.359 1.821 20 0 BDADRP C[NH+]1CCC(CC[NH2+][C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000229938009 640997236 /nfs/dbraw/zinc/99/72/36/640997236.db2.gz VFNQAVYEZPNQMP-KGLIPLIRSA-N 3 0 239.407 1.435 20 0 BDADRP [NH3+]CCCCCCC[N@@H+]1CCCOCC1 ZINC000061934900 641008524 /nfs/dbraw/zinc/00/85/24/641008524.db2.gz XPWDLDCMNUGORY-UHFFFAOYSA-N 2 0 214.353 1.618 20 0 BDADRP C[NH+]1CCN(CCC[NH2+]Cc2ccoc2)CC1 ZINC000062136890 641023639 /nfs/dbraw/zinc/02/36/39/641023639.db2.gz OKVPDRJOMYORIW-UHFFFAOYSA-N 2 0 237.347 1.007 20 0 BDADRP C[C@H](CC[S@](C)=O)[NH2+]CC1CC[NH+](C)CC1 ZINC000230088993 641026043 /nfs/dbraw/zinc/02/60/43/641026043.db2.gz IEBZPLDBASLGLS-BZNIZROVSA-N 2 0 246.420 1.075 20 0 BDADRP CO[C@@H]1CC[C@@H]1[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000934120075 641082711 /nfs/dbraw/zinc/08/27/11/641082711.db2.gz ZEHXLYGLRRCPLT-RWMBFGLXSA-N 2 0 226.364 1.580 20 0 BDADRP CO[C@H]1CC[C@@H]1[N@H+](C)CCC[NH+]1CCCCC1 ZINC000934119607 641083469 /nfs/dbraw/zinc/08/34/69/641083469.db2.gz XSUPHLNALRFLKJ-KBPBESRZSA-N 2 0 240.391 1.972 20 0 BDADRP CC(C)[NH+]1CCN(C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000062862095 641099535 /nfs/dbraw/zinc/09/95/35/641099535.db2.gz RFLISIZKYWPOKY-CQSZACIVSA-N 2 0 239.407 1.402 20 0 BDADRP CN(Cc1ccccn1)C[C@]1(C)CCC[NH2+]C1 ZINC000062862054 641100703 /nfs/dbraw/zinc/10/07/03/641100703.db2.gz ZXAQJWHLBJUMPB-CQSZACIVSA-N 2 0 233.359 1.903 20 0 BDADRP C[C@H](O)CC[N@H+](C)CC1CC[NH+](C)CC1 ZINC000063121493 641134908 /nfs/dbraw/zinc/13/49/08/641134908.db2.gz ZDUATKPSYMDPAM-NSHDSACASA-N 2 0 214.353 1.031 20 0 BDADRP C[C@H]([NH2+]CCC(C)(C)[NH3+])[C@H]1CCOC1 ZINC000158612129 641641514 /nfs/dbraw/zinc/64/15/14/641641514.db2.gz MREONUHJSKDZEJ-UWVGGRQHSA-N 2 0 200.326 1.128 20 0 BDADRP CC[C@H]1CCCC[N@@H+]1CCOCC[NH3+] ZINC000032009954 641707812 /nfs/dbraw/zinc/70/78/12/641707812.db2.gz NOIHJEXVAYIGOR-NSHDSACASA-N 2 0 200.326 1.226 20 0 BDADRP CCN1CC[NH+](C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000233481306 642674447 /nfs/dbraw/zinc/67/44/47/642674447.db2.gz GNJAIKJDWSQILP-CHWSQXEVSA-N 2 0 225.380 1.012 20 0 BDADRP CC[C@H]1C[N@H+](C[C@]2(C)CCC[NH2+]C2)CCCO1 ZINC000305915239 642710432 /nfs/dbraw/zinc/71/04/32/642710432.db2.gz FUSYZYKRNSWOFM-UONOGXRCSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@H](C[NH2+][C@H]1CCOC1)C[NH+]1CCCC1 ZINC000070969579 643090808 /nfs/dbraw/zinc/09/08/08/643090808.db2.gz AISRYUWLZDBIMI-NEPJUHHUSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H]1CC[N@H+](CCc2cncn2C)CCO1 ZINC000932334953 643121335 /nfs/dbraw/zinc/12/13/35/643121335.db2.gz IICBXVIFQRLMEC-LLVKDONJSA-N 2 0 223.320 1.073 20 0 BDADRP CC(C)([NH3+])CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000304570069 643128177 /nfs/dbraw/zinc/12/81/77/643128177.db2.gz HXKCFYPKOLQPCY-RYUDHWBXSA-N 2 0 225.380 1.330 20 0 BDADRP CCNC(NCC[N@H+](CC)C(C)C)=[NH+]CC ZINC000066246534 643165238 /nfs/dbraw/zinc/16/52/38/643165238.db2.gz BXDWFDBSJPVCEM-UHFFFAOYSA-N 2 0 228.384 1.292 20 0 BDADRP CCNC(NC[C@H](CC)[NH+]1CCCC1)=[NH+]CC ZINC000066245276 643165461 /nfs/dbraw/zinc/16/54/61/643165461.db2.gz AUQFNIJFTHLWRX-LBPRGKRZSA-N 2 0 240.395 1.436 20 0 BDADRP C[N@H+](CCCCCC[NH3+])CC1CCOCC1 ZINC000082545751 643340311 /nfs/dbraw/zinc/34/03/11/643340311.db2.gz LODIXWKUKGXICX-UHFFFAOYSA-N 2 0 228.380 1.864 20 0 BDADRP ClC1(Cl)C[C@@H]1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000306998182 643383643 /nfs/dbraw/zinc/38/36/43/643383643.db2.gz XURMQYZWIPQORB-XHNCKOQMSA-N 2 0 235.158 1.331 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cccs2)C1 ZINC000082952631 643391513 /nfs/dbraw/zinc/39/15/13/643391513.db2.gz OCLVCFJWICUIOD-SNVBAGLBSA-N 2 0 210.346 1.919 20 0 BDADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1C/C=C/Cl ZINC000069721149 643450162 /nfs/dbraw/zinc/45/01/62/643450162.db2.gz WYAWJLBECPBWPE-YVGDHZEHSA-N 2 0 202.729 1.942 20 0 BDADRP Cc1c[nH+]ccc1NC[C@@H]1CCC[NH2+]C1 ZINC000070047561 643454066 /nfs/dbraw/zinc/45/40/66/643454066.db2.gz UIQLSTUZHURIMB-LLVKDONJSA-N 2 0 205.305 1.802 20 0 BDADRP CC[NH+]1CCN([C@@H](C)C[NH2+]C2CCCC2)CC1 ZINC000049938015 643560417 /nfs/dbraw/zinc/56/04/17/643560417.db2.gz JCANUUVLUQLYKQ-ZDUSSCGKSA-N 2 0 239.407 1.545 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc[nH]c(=O)c2)C1 ZINC000921620859 643629121 /nfs/dbraw/zinc/62/91/21/643629121.db2.gz VPSHWCGICXKEKA-CYBMUJFWSA-N 2 0 249.358 1.607 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1nccs1 ZINC000084216777 643649823 /nfs/dbraw/zinc/64/98/23/643649823.db2.gz VGRZYZGMTIWQRQ-GHMZBOCLSA-N 2 0 239.388 1.793 20 0 BDADRP CC(C)[N@H+](C)CCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000084221558 643651305 /nfs/dbraw/zinc/65/13/05/643651305.db2.gz HHPAYLYTWCEPQT-NEPJUHHUSA-N 2 0 213.369 1.044 20 0 BDADRP Cc1ncsc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000084221850 643651898 /nfs/dbraw/zinc/65/18/98/643651898.db2.gz GLVFQJARSGTOQL-VHSXEESVSA-N 2 0 225.361 1.669 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2)C1 ZINC000050247753 643661600 /nfs/dbraw/zinc/66/16/00/643661600.db2.gz IYZKSMLAHKQIOK-GFCCVEGCSA-N 2 0 247.342 1.296 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CC(C)(C)[NH3+])C1 ZINC000237182550 643697388 /nfs/dbraw/zinc/69/73/88/643697388.db2.gz PVEWVBZZJCSQSU-WDEREUQCSA-N 2 0 241.379 1.103 20 0 BDADRP CCC(CC)(CO)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000230217320 643766536 /nfs/dbraw/zinc/76/65/36/643766536.db2.gz GVERPGNMPZRZDF-QWHCGFSZSA-N 2 0 242.407 1.892 20 0 BDADRP CCC(CC)(CO)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000230217317 643767497 /nfs/dbraw/zinc/76/74/97/643767497.db2.gz GVERPGNMPZRZDF-OLZOCXBDSA-N 2 0 242.407 1.892 20 0 BDADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cc[nH]c(=O)c2)C1 ZINC000922180638 643894513 /nfs/dbraw/zinc/89/45/13/643894513.db2.gz DLTRTOIOTWDKPX-LBPRGKRZSA-N 2 0 249.358 1.609 20 0 BDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(NC)=[NH+]C ZINC000073840197 644136900 /nfs/dbraw/zinc/13/69/00/644136900.db2.gz KREYKNJEZHKOJS-LLVKDONJSA-N 2 0 226.368 1.046 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCCCCCCC1 ZINC000321708939 644153682 /nfs/dbraw/zinc/15/36/82/644153682.db2.gz CTPQUVYAYWQQLK-AWEZNQCLSA-N 2 0 242.407 1.955 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CCCCCC[NH3+] ZINC000193500264 644247166 /nfs/dbraw/zinc/24/71/66/644247166.db2.gz QAEGALHNCUKZHP-RYUDHWBXSA-N 2 0 241.379 1.152 20 0 BDADRP C(C1CC1)[C@@H]1COCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000923275795 644309023 /nfs/dbraw/zinc/30/90/23/644309023.db2.gz WWEGXWWNDLVCIN-CQSZACIVSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCCCN1CCC[NH2+]C1CC1 ZINC000923279111 644312371 /nfs/dbraw/zinc/31/23/71/644312371.db2.gz FHJSISWHNUEOKY-AAEUAGOBSA-N 2 0 225.380 1.330 20 0 BDADRP CC(C)CC[C@H](O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000923282419 644313531 /nfs/dbraw/zinc/31/35/31/644313531.db2.gz VVFUGGRFYZOBGS-OLZOCXBDSA-N 2 0 228.380 1.454 20 0 BDADRP Cc1ccc([C@@H](O)C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC000923280802 644314279 /nfs/dbraw/zinc/31/42/79/644314279.db2.gz JISHERCBPKEAOO-HNNXBMFYSA-N 2 0 248.370 1.699 20 0 BDADRP C[C@H]1CCCN(CCC[NH2+]C2CC2)[C@@H]1C[NH3+] ZINC000923290246 644323502 /nfs/dbraw/zinc/32/35/02/644323502.db2.gz WQRYJQQTPPCWJJ-WCQYABFASA-N 2 0 225.380 1.188 20 0 BDADRP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@@H](O)c1ccccc1 ZINC000923299931 644326098 /nfs/dbraw/zinc/32/60/98/644326098.db2.gz JNCWCBISTPBOHT-KGLIPLIRSA-N 2 0 236.359 1.683 20 0 BDADRP CC(C)CC[C@@H](O)C[N@H+](C)CCC[NH3+] ZINC000923291795 644329214 /nfs/dbraw/zinc/32/92/14/644329214.db2.gz SDMIOBGRIOOFAH-LLVKDONJSA-N 2 0 202.342 1.064 20 0 BDADRP CCCCCC[C@H](O)CN1CCC[C@H]1C[NH3+] ZINC000923292741 644330010 /nfs/dbraw/zinc/33/00/10/644330010.db2.gz KXNRCIJGPKILSY-STQMWFEESA-N 2 0 228.380 1.741 20 0 BDADRP CC(C)CC[C@@H](O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000923294983 644333624 /nfs/dbraw/zinc/33/36/24/644333624.db2.gz RYAUAVXNNJNLTB-GFCCVEGCSA-N 2 0 230.396 1.700 20 0 BDADRP CC[N@H+](CCC[NH2+]C1CC1)C[C@@H]1CCOC1 ZINC000923305596 644339984 /nfs/dbraw/zinc/33/99/84/644339984.db2.gz HFMUQVJEFJYZOK-LBPRGKRZSA-N 2 0 226.364 1.487 20 0 BDADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@@H](c3ccccc3)C2)C1 ZINC000923303315 644341776 /nfs/dbraw/zinc/34/17/76/644341776.db2.gz KPSLLFDKRQVAKB-QPSCCSFWSA-N 2 0 246.354 1.327 20 0 BDADRP C[C@@H]1CC[C@H](C)[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923317934 644343814 /nfs/dbraw/zinc/34/38/14/644343814.db2.gz HEORFABTWMTCKF-TUAOUCFPSA-N 2 0 224.348 1.238 20 0 BDADRP CC[C@H]1CC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923318847 644343869 /nfs/dbraw/zinc/34/38/69/644343869.db2.gz PQARCFBUTKXXRS-NWDGAFQWSA-N 2 0 224.348 1.097 20 0 BDADRP CC(C)C[C@@H]1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923316317 644344104 /nfs/dbraw/zinc/34/41/04/644344104.db2.gz HKNUBKDMXABWLI-XUXIUFHCSA-N 2 0 240.391 1.595 20 0 BDADRP C([C@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1[C@H]2CC[C@@H]1CCC2 ZINC000923315778 644344987 /nfs/dbraw/zinc/34/49/87/644344987.db2.gz JUFWJHAQFMVWFQ-FRRDWIJNSA-N 2 0 236.359 1.382 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000923331081 644348832 /nfs/dbraw/zinc/34/88/32/644348832.db2.gz KFTREHQGCCXEHR-NWANDNLSSA-N 2 0 248.370 1.259 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC000923331080 644350703 /nfs/dbraw/zinc/35/07/03/644350703.db2.gz KFTREHQGCCXEHR-CFVMTHIKSA-N 2 0 248.370 1.259 20 0 BDADRP CC[N@H+](C[C@H](O)CSC)[C@@H]1CCC[NH2+]CC1 ZINC000923336136 644357063 /nfs/dbraw/zinc/35/70/63/644357063.db2.gz QMCKFQBAJLFPQI-NEPJUHHUSA-N 2 0 246.420 1.174 20 0 BDADRP CC[N@H+](C[C@@H](O)CSC)[C@H]1CCC[NH2+]CC1 ZINC000923336138 644357186 /nfs/dbraw/zinc/35/71/86/644357186.db2.gz QMCKFQBAJLFPQI-NWDGAFQWSA-N 2 0 246.420 1.174 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@H](O)CCC(C)C)CC[C@H]1[NH3+] ZINC000923346014 644365317 /nfs/dbraw/zinc/36/53/17/644365317.db2.gz SWQQHKQQXKEVMD-MGPQQGTHSA-N 2 0 242.407 1.843 20 0 BDADRP C[N@H+](C[C@@H](O)CCc1ccccc1)C1CC([NH3+])C1 ZINC000923361636 644387091 /nfs/dbraw/zinc/38/70/91/644387091.db2.gz JLCOTGSFWGHCHO-NRXISQOPSA-N 2 0 248.370 1.402 20 0 BDADRP C[C@@H]1CCCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923373604 644387934 /nfs/dbraw/zinc/38/79/34/644387934.db2.gz QNQRPPLTVMODPN-CHWSQXEVSA-N 2 0 238.375 1.487 20 0 BDADRP CC[C@H](O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000923363141 644390007 /nfs/dbraw/zinc/39/00/07/644390007.db2.gz VIMJZSKCPQZKTR-AVGNSLFASA-N 2 0 226.364 1.079 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CC2(C[NH2+]C2)CO1)c1ccccn1 ZINC000923376451 644390554 /nfs/dbraw/zinc/39/05/54/644390554.db2.gz AXEVGETUNHYUTL-NWDGAFQWSA-N 2 0 247.342 1.111 20 0 BDADRP CSC[C@H](O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000923383484 644396962 /nfs/dbraw/zinc/39/69/62/644396962.db2.gz SIJNEXYYHQEOHL-FIQHERPVSA-N 2 0 246.420 1.016 20 0 BDADRP CSC[C@H](O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000923385394 644400264 /nfs/dbraw/zinc/40/02/64/644400264.db2.gz APDOCBFYKHQBSB-UTUOFQBUSA-N 2 0 246.420 1.160 20 0 BDADRP C[C@@H]1C[N@H+](CCc2cccc(F)c2)C[C@H]1C[NH3+] ZINC000923412588 644413790 /nfs/dbraw/zinc/41/37/90/644413790.db2.gz RJFHNACUHCHJHG-DGCLKSJQSA-N 2 0 236.334 1.895 20 0 BDADRP CSC[C@H](O)C[N@H+](C)C1(C[NH3+])CCCCC1 ZINC000923424790 644419883 /nfs/dbraw/zinc/41/98/83/644419883.db2.gz ZCAWADCTECNPCM-LLVKDONJSA-N 2 0 246.420 1.304 20 0 BDADRP FC[C@H]1CCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923425507 644419925 /nfs/dbraw/zinc/41/99/25/644419925.db2.gz ZPNNDTFWKJEJEE-VXGBXAGGSA-N 2 0 242.338 1.046 20 0 BDADRP C[NH2+]C[C@H]1CCCCN1CCC[NH2+]C1CC1 ZINC000923423240 644420015 /nfs/dbraw/zinc/42/00/15/644420015.db2.gz KJFRFKYFXMUJMA-CYBMUJFWSA-N 2 0 225.380 1.202 20 0 BDADRP C(C[NH2+]C1CC1)C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000923426027 644420646 /nfs/dbraw/zinc/42/06/46/644420646.db2.gz BKZVXUPJCLADLO-GXTWGEPZSA-N 2 0 238.375 1.629 20 0 BDADRP Cc1ccc([C@@H](O)CN2C[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000923430433 644421650 /nfs/dbraw/zinc/42/16/50/644421650.db2.gz LEYHCLQZRJVATO-KBPBESRZSA-N 2 0 248.370 1.698 20 0 BDADRP CC[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000084384791 644422198 /nfs/dbraw/zinc/42/21/98/644422198.db2.gz KWAUYNQQCLGETK-NWDGAFQWSA-N 2 0 212.337 1.097 20 0 BDADRP CC[C@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000084384796 644422597 /nfs/dbraw/zinc/42/25/97/644422597.db2.gz KWAUYNQQCLGETK-RYUDHWBXSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H]1C[C@H](C)CC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923431169 644424186 /nfs/dbraw/zinc/42/41/86/644424186.db2.gz DEMIWFPWGJCQPT-BNDIWNMDSA-N 2 0 226.364 1.205 20 0 BDADRP c1ccc([C@@H]2C[C@@H]2N2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000923459739 644434616 /nfs/dbraw/zinc/43/46/16/644434616.db2.gz DXKULICPHFKDMR-GJZGRUSLSA-N 2 0 245.370 1.037 20 0 BDADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CC1CCC1)CC2 ZINC000923453963 644441790 /nfs/dbraw/zinc/44/17/90/644441790.db2.gz ZOIQOBPNCRRVDD-CYBMUJFWSA-N 2 0 238.375 1.616 20 0 BDADRP CCc1noc([C@H](C)[N@@H+]2CC[C@H](CC[NH3+])C2)n1 ZINC000923486325 644456389 /nfs/dbraw/zinc/45/63/89/644456389.db2.gz PSHOLVJSAVYHAB-UWVGGRQHSA-N 2 0 238.335 1.364 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000923478516 644457052 /nfs/dbraw/zinc/45/70/52/644457052.db2.gz DCDPDLPWIOTFBN-QWHCGFSZSA-N 2 0 238.375 1.616 20 0 BDADRP COC(=O)CC1(C[N@@H+]2CC[C@@H](CC[NH3+])C2)CC1 ZINC000923481915 644460278 /nfs/dbraw/zinc/46/02/78/644460278.db2.gz VAQYVAZMGINWPZ-LLVKDONJSA-N 2 0 240.347 1.000 20 0 BDADRP C[C@H]1C[N@H+](Cc2cc(C3CC3)no2)CC[C@@H]1C[NH3+] ZINC000923489401 644465084 /nfs/dbraw/zinc/46/50/84/644465084.db2.gz JNROOINFZBCKNR-CMPLNLGQSA-N 2 0 249.358 1.969 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cccnc2N)CC[C@H]1C[NH3+] ZINC000923490352 644465675 /nfs/dbraw/zinc/46/56/75/644465675.db2.gz NBEPUUYZXWYCRR-MNOVXSKESA-N 2 0 234.347 1.081 20 0 BDADRP CC(C)CC[C@H](O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923491476 644466809 /nfs/dbraw/zinc/46/68/09/644466809.db2.gz IDGVBIWFGGRMNQ-MCIONIFRSA-N 2 0 242.407 1.700 20 0 BDADRP Cc1cncc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923492125 644467193 /nfs/dbraw/zinc/46/71/93/644467193.db2.gz WCQBAUJOMBFRTJ-GXTWGEPZSA-N 2 0 233.359 1.807 20 0 BDADRP Cc1nnc([C@H](C)[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)[nH]1 ZINC000923493487 644470831 /nfs/dbraw/zinc/47/08/31/644470831.db2.gz HEXPXLGRNDXCPR-YWVKMMECSA-N 2 0 237.351 1.091 20 0 BDADRP C[C@@H]1C[N@H+](CCOCC(F)F)CC[C@@H]1C[NH3+] ZINC000923501652 644475959 /nfs/dbraw/zinc/47/59/59/644475959.db2.gz RUQPNQNBBBXVCY-NXEZZACHSA-N 2 0 236.306 1.185 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccno2)CC[C@H]1C[NH3+] ZINC000923501127 644476356 /nfs/dbraw/zinc/47/63/56/644476356.db2.gz ZDQSVUILPYRTMD-UWVGGRQHSA-N 2 0 209.293 1.091 20 0 BDADRP Nc1cccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923516755 644480345 /nfs/dbraw/zinc/48/03/45/644480345.db2.gz QYUCOVQPLHTYNF-QWHCGFSZSA-N 2 0 231.343 1.310 20 0 BDADRP Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(C)n1 ZINC000923519001 644482851 /nfs/dbraw/zinc/48/28/51/644482851.db2.gz ILEQIOSVHJOUBF-LSDHHAIUSA-N 2 0 245.370 1.740 20 0 BDADRP C[C@]1(C[NH2+]C2CCC([NH3+])CC2)CCCO1 ZINC000087233981 644484276 /nfs/dbraw/zinc/48/42/76/644484276.db2.gz WSXPJTPWNULTGW-HTAVTVPLSA-N 2 0 212.337 1.415 20 0 BDADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1cccc(=O)[nH]1 ZINC000923552971 644495345 /nfs/dbraw/zinc/49/53/45/644495345.db2.gz GORYAFWSJDOHNS-NSHDSACASA-N 2 0 235.331 1.219 20 0 BDADRP C(C[N@@H+]1CCOC[C@@H]1CC1CC1)[C@@H]1CC[NH2+]C1 ZINC000923555235 644498798 /nfs/dbraw/zinc/49/87/98/644498798.db2.gz RXHLRUFMQVJSNM-KBPBESRZSA-N 2 0 238.375 1.487 20 0 BDADRP CC(C)C[C@H]1C[N@H+](C)CCN1C[C@H]1CC[NH2+]C1 ZINC000923557675 644500464 /nfs/dbraw/zinc/50/04/64/644500464.db2.gz NESZQLVPTCYHNN-KBPBESRZSA-N 2 0 239.407 1.258 20 0 BDADRP CC[NH+]1CCC(N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000089145446 644536063 /nfs/dbraw/zinc/53/60/63/644536063.db2.gz NRRQAJIYAFLUQJ-GXTWGEPZSA-N 2 0 239.407 1.578 20 0 BDADRP C[N@H+](CCc1cccnc1)C1CCC([NH3+])CC1 ZINC000091848028 644642942 /nfs/dbraw/zinc/64/29/42/644642942.db2.gz WWRVHXIOCKCHCZ-UHFFFAOYSA-N 2 0 233.359 1.826 20 0 BDADRP CC[N@@H+]1CCN(c2cc[nH+]cc2CO)C[C@H]1C ZINC000250399395 644758753 /nfs/dbraw/zinc/75/87/53/644758753.db2.gz YYAHTAHZYQMOEH-LLVKDONJSA-N 2 0 235.331 1.104 20 0 BDADRP CC[C@H](O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252412630 644849264 /nfs/dbraw/zinc/84/92/64/644849264.db2.gz AEQRISFKGSMSQF-RWMBFGLXSA-N 2 0 226.364 1.221 20 0 BDADRP CCC[NH+]1CCC(NCCC(C)(C)[NH3+])CC1 ZINC000304661649 644923922 /nfs/dbraw/zinc/92/39/22/644923922.db2.gz WEIWQRHKJPDUFP-UHFFFAOYSA-N 2 0 227.396 1.578 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C[NH3+] ZINC000253177092 644941632 /nfs/dbraw/zinc/94/16/32/644941632.db2.gz ARBIXILHINXDRB-VXGBXAGGSA-N 2 0 219.332 1.498 20 0 BDADRP [NH3+]CCCCCC[NH2+]Cc1cnc2ccccn12 ZINC000843129074 645267384 /nfs/dbraw/zinc/26/73/84/645267384.db2.gz QMIYAPYATMOMFU-UHFFFAOYSA-N 2 0 246.358 1.943 20 0 BDADRP Cc1n[nH]cc1C[NH2+]CCCCCC[NH3+] ZINC000843129052 645267787 /nfs/dbraw/zinc/26/77/87/645267787.db2.gz QEKCMGLGYDJAEZ-UHFFFAOYSA-N 2 0 210.325 1.327 20 0 BDADRP c1[nH]nc2c1[C@@H]([NH2+]CCC1CC[NH2+]CC1)CCC2 ZINC000844925536 645349892 /nfs/dbraw/zinc/34/98/92/645349892.db2.gz RAGIOCPWBQSKGJ-ZDUSSCGKSA-N 2 0 248.374 1.766 20 0 BDADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCOC(F)F ZINC000852749366 645487137 /nfs/dbraw/zinc/48/71/37/645487137.db2.gz LHBNHYXTELFLAK-VIFPVBQESA-N 2 0 222.279 1.429 20 0 BDADRP CCO[C@@H](C[NH2+][C@@H]1COC(C)(C)C1)CN(C)C ZINC000926959584 645501280 /nfs/dbraw/zinc/50/12/80/645501280.db2.gz JUCSJFDQBSMSCE-RYUDHWBXSA-N 2 0 244.379 1.110 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000927025370 645526262 /nfs/dbraw/zinc/52/62/62/645526262.db2.gz HLVBAMDFTROEQL-RDBSUJKOSA-N 2 0 242.407 1.857 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](CO)C2)[C@@H]2CCC[C@H]21 ZINC000927145781 645570527 /nfs/dbraw/zinc/57/05/27/645570527.db2.gz BSZCCDXLUBVNHK-HTVCTNPSSA-N 2 0 238.375 1.220 20 0 BDADRP COC[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925492226 645668926 /nfs/dbraw/zinc/66/89/26/645668926.db2.gz XHAJYCUTWYLVBS-AXFHLTTASA-N 2 0 214.353 1.517 20 0 BDADRP CC(C)C[C@@H](O)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858117096 645671566 /nfs/dbraw/zinc/67/15/66/645671566.db2.gz ZQIIBKQOZWFFHN-QWHCGFSZSA-N 2 0 242.407 1.856 20 0 BDADRP CC[N@@H+]1CCC[C@@H](N[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925494124 645730507 /nfs/dbraw/zinc/73/05/07/645730507.db2.gz NJDVRGXIMUDFOB-VXGBXAGGSA-N 2 0 225.380 1.201 20 0 BDADRP CC(C)C[C@@H](O)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000122598214 645743348 /nfs/dbraw/zinc/74/33/48/645743348.db2.gz MFDUYTCGKJSEIU-CQSZACIVSA-N 2 0 242.407 1.856 20 0 BDADRP CC[C@H](CO)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000924537875 646057395 /nfs/dbraw/zinc/05/73/95/646057395.db2.gz BZCQXKBYKRRMKP-CYBMUJFWSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@H]([NH2+]CCC[NH+]1CCCCC1)C(C)(C)CO ZINC000924578768 646072458 /nfs/dbraw/zinc/07/24/58/646072458.db2.gz QISFSIREMHHLLC-ZDUSSCGKSA-N 2 0 242.407 1.859 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)Cc2ccccn2)C1 ZINC000924704685 646093558 /nfs/dbraw/zinc/09/35/58/646093558.db2.gz GZZFSEIIXIKTGG-ZIAGYGMSSA-N 2 0 247.386 1.944 20 0 BDADRP C[C@@H]1COC[C@H]1[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000925085182 646179409 /nfs/dbraw/zinc/17/94/09/646179409.db2.gz FRVIMDIDKSUBTF-JHJVBQTASA-N 2 0 242.407 1.977 20 0 BDADRP CC[C@@H](CO)[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000929750233 646284435 /nfs/dbraw/zinc/28/44/35/646284435.db2.gz SXVPIRORITUQIQ-OLZOCXBDSA-N 2 0 228.380 1.421 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925480659 646292476 /nfs/dbraw/zinc/29/24/76/646292476.db2.gz GNBUVCACCQCNGA-WUHRBBMRSA-N 2 0 242.407 1.889 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C2CCOCC2)C1 ZINC000925483772 646294182 /nfs/dbraw/zinc/29/41/82/646294182.db2.gz YHMRWUZSZGOMTL-ZYHUDNBSSA-N 2 0 226.364 1.661 20 0 BDADRP CCCC[N@H+](C)CCN[C@@H]1CC[NH2+]C1(C)C ZINC000925483542 646295236 /nfs/dbraw/zinc/29/52/36/646295236.db2.gz UJFXCTJUSDZSNV-GFCCVEGCSA-N 2 0 227.396 1.448 20 0 BDADRP CCCC[N@H+](C)CCN[C@H]1CCC[NH2+][C@@H]1C ZINC000925481212 646295343 /nfs/dbraw/zinc/29/53/43/646295343.db2.gz IEHXIZUVYYZUQG-OLZOCXBDSA-N 2 0 227.396 1.448 20 0 BDADRP CC(C)C[C@H](CN[C@H]1CC[NH2+]C1(C)C)[NH+](C)C ZINC000925536663 646321275 /nfs/dbraw/zinc/32/12/75/646321275.db2.gz QELCTIKDUMYTPB-OLZOCXBDSA-N 2 0 241.423 1.693 20 0 BDADRP COC1CCC(C[NH2+][C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925543475 646323573 /nfs/dbraw/zinc/32/35/73/646323573.db2.gz UEAPYUIYHSMCOM-BPCQOVAHSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]1CCCC[N@@H+]1CCN[C@@H]1CC[NH2+]C1(C)C ZINC000925550452 646326072 /nfs/dbraw/zinc/32/60/72/646326072.db2.gz MPVBHHYCGLSLAZ-CHWSQXEVSA-N 2 0 239.407 1.591 20 0 BDADRP CC1(C)[C@H]([NH2+][C@H]2CCCOC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925549501 646326742 /nfs/dbraw/zinc/32/67/42/646326742.db2.gz LTVYYYCUOUSREG-QNWHQSFQSA-N 2 0 238.375 1.532 20 0 BDADRP C[N@@H+]1CCC[C@H](CN[C@H]2CC[NH2+]C2(C)C)C1 ZINC000925558575 646333800 /nfs/dbraw/zinc/33/38/00/646333800.db2.gz TVGDOLWSIMNKSX-NEPJUHHUSA-N 2 0 225.380 1.058 20 0 BDADRP CC(C)[N@H+](C)CCN[C@H]1CC[NH2+]C12CCC2 ZINC000925558363 646334156 /nfs/dbraw/zinc/33/41/56/646334156.db2.gz QSLRPLSVAGHMTM-LBPRGKRZSA-N 2 0 225.380 1.201 20 0 BDADRP CC[N@@H+]1CCCC[C@H]1CN[C@@H]1CC[NH2+]C1(C)C ZINC000925573825 646342076 /nfs/dbraw/zinc/34/20/76/646342076.db2.gz PXPXKNBLAQPMIG-QWHCGFSZSA-N 2 0 239.407 1.591 20 0 BDADRP COC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)C1CC1 ZINC000925587065 646346426 /nfs/dbraw/zinc/34/64/26/646346426.db2.gz MQVIZVYNXOGCCO-XQQFMLRXSA-N 2 0 240.391 1.907 20 0 BDADRP CC(C)C[C@H](O)C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925582350 646346441 /nfs/dbraw/zinc/34/64/41/646346441.db2.gz XUACDGSMRMXUEE-XQQFMLRXSA-N 2 0 242.407 1.889 20 0 BDADRP C[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000925584277 646347160 /nfs/dbraw/zinc/34/71/60/646347160.db2.gz KHJPQOTYFNFSLG-JQWIXIFHSA-N 2 0 208.349 1.907 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925618705 646350444 /nfs/dbraw/zinc/35/04/44/646350444.db2.gz JJSQHEHZEZCRHH-QJPTWQEYSA-N 2 0 228.380 1.499 20 0 BDADRP OC[C@H]1CC[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925608313 646358404 /nfs/dbraw/zinc/35/84/04/646358404.db2.gz VUJOJSWPPTVNAQ-FRRDWIJNSA-N 2 0 238.375 1.412 20 0 BDADRP C[C@H](O)C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925611701 646359515 /nfs/dbraw/zinc/35/95/15/646359515.db2.gz NVLXHQLAUOLXLV-AAEUAGOBSA-N 2 0 222.332 1.437 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CC2(O)CCC2)C1 ZINC000925610036 646359725 /nfs/dbraw/zinc/35/97/25/646359725.db2.gz YPFVWLZXJQACKJ-WDEREUQCSA-N 2 0 226.364 1.397 20 0 BDADRP CCC[C@](C)(O)CN[C@@H]1CC[NH2+]C1(C)C ZINC000925610072 646361024 /nfs/dbraw/zinc/36/10/24/646361024.db2.gz CJBLATVGLUUURI-PWSUYJOCSA-N 2 0 214.353 1.268 20 0 BDADRP CC(C)CC[NH+]1CCC([NH2+][C@H]2CCOC2)CC1 ZINC000925618535 646365797 /nfs/dbraw/zinc/36/57/97/646365797.db2.gz WMXDPYLGXLJNAT-AWEZNQCLSA-N 2 0 240.391 1.875 20 0 BDADRP CC1(C)C[C@@H]([NH2+]CCCF)C[C@@H]([NH3+])C1 ZINC000925619377 646367258 /nfs/dbraw/zinc/36/72/58/646367258.db2.gz MZAJUIXOBVWDDT-ZJUUUORDSA-N 2 0 202.317 1.842 20 0 BDADRP C1=CC[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925620638 646367778 /nfs/dbraw/zinc/36/77/78/646367778.db2.gz WKRJHEFQRJHHRE-VXGBXAGGSA-N 2 0 206.333 1.969 20 0 BDADRP CC(C)(CO)CCC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925624421 646369190 /nfs/dbraw/zinc/36/91/90/646369190.db2.gz XHQXFMGDFZYIER-LLVKDONJSA-N 2 0 228.380 1.515 20 0 BDADRP C[C@H]1CCC[N@@H+]1CCN[C@@H]1CC[NH2+]C12CCC2 ZINC000925624664 646369673 /nfs/dbraw/zinc/36/96/73/646369673.db2.gz ZLGKSUOYSKKTSW-QWHCGFSZSA-N 2 0 237.391 1.345 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(CO)CCC1 ZINC000925648269 646388979 /nfs/dbraw/zinc/38/89/79/646388979.db2.gz SAURSASEQUDMAF-MPEURRAXSA-N 2 0 238.375 1.255 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOC2CC2)[C@H](C)C1 ZINC000929998100 646389974 /nfs/dbraw/zinc/38/99/74/646389974.db2.gz BRKIODGYLBLTSR-OCCSQVGLSA-N 2 0 240.391 1.828 20 0 BDADRP OCCCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925656226 646394300 /nfs/dbraw/zinc/39/43/00/646394300.db2.gz JBKROEWPUYEISY-KGLIPLIRSA-N 2 0 240.391 1.517 20 0 BDADRP CC(C)[C@H]([NH2+][C@H]1C[C@H]([NH3+])C12CCC2)C(C)(C)O ZINC000925657974 646394879 /nfs/dbraw/zinc/39/48/79/646394879.db2.gz MAYSDFVWRCKUMP-SRVKXCTJSA-N 2 0 240.391 1.641 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC1(O)CCC1 ZINC000925664012 646398644 /nfs/dbraw/zinc/39/86/44/646398644.db2.gz BUBULMFITMODNB-MPEURRAXSA-N 2 0 238.375 1.397 20 0 BDADRP CC(C)[N@@H+](C)C[C@H](C)N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925669110 646400579 /nfs/dbraw/zinc/40/05/79/646400579.db2.gz OZRSJGHLGWTCGT-XQQFMLRXSA-N 2 0 239.407 1.575 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+][C@H]2CCCOC2)C1 ZINC000925674146 646402151 /nfs/dbraw/zinc/40/21/51/646402151.db2.gz RARCWEWMCZTOLB-SDDRHHMPSA-N 2 0 226.364 1.661 20 0 BDADRP CC(C)(CO)CC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925678950 646406396 /nfs/dbraw/zinc/40/63/96/646406396.db2.gz GFETWHRKYLRRCL-VXGBXAGGSA-N 2 0 242.407 1.891 20 0 BDADRP C[C@H](CCO)CC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925682091 646409140 /nfs/dbraw/zinc/40/91/40/646409140.db2.gz ZYXHZWSEUWBBSA-YNEHKIRRSA-N 2 0 242.407 1.891 20 0 BDADRP [NH3+]CCC[C@@H](NCC[NH2+]C1CC1)c1ccccc1 ZINC000925691811 646418342 /nfs/dbraw/zinc/41/83/42/646418342.db2.gz KAFOGFHCFXHXBV-OAHLLOKOSA-N 2 0 247.386 1.808 20 0 BDADRP C[C@H]([NH3+])[C@H](N[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000925691916 646418345 /nfs/dbraw/zinc/41/83/45/646418345.db2.gz NJUMBLDPBFECGZ-YUTCNCBUSA-N 2 0 233.359 1.417 20 0 BDADRP CC[NH2+]CCC[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000925694980 646420342 /nfs/dbraw/zinc/42/03/42/646420342.db2.gz VFAXXOOUZRHYJB-BFHYXJOUSA-N 2 0 240.391 1.781 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925696343 646421312 /nfs/dbraw/zinc/42/13/12/646421312.db2.gz ZPRQXOJZVXCGHY-QJPTWQEYSA-N 2 0 227.396 1.465 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1NC[C@@]1(C)CCC[NH2+]C1 ZINC000925698058 646423378 /nfs/dbraw/zinc/42/33/78/646423378.db2.gz HTXUJXVCJWHCKN-XQQFMLRXSA-N 2 0 225.380 1.106 20 0 BDADRP C[C@H]1NCCC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000925701650 646425080 /nfs/dbraw/zinc/42/50/80/646425080.db2.gz CUDWJEVVEPKNCX-FVCCEPFGSA-N 2 0 225.380 1.057 20 0 BDADRP C[C@@H]1C[C@@H](N[C@H]2CC[NH2+]C23CCCC3)CC[NH2+]1 ZINC000925701085 646425331 /nfs/dbraw/zinc/42/53/31/646425331.db2.gz VNUMRVAWGIADBP-AGIUHOORSA-N 2 0 237.391 1.391 20 0 BDADRP C[C@@H]1C[C@@H](N[C@@H]2CC[NH2+]C23CCCC3)CC[NH2+]1 ZINC000925701086 646425719 /nfs/dbraw/zinc/42/57/19/646425719.db2.gz VNUMRVAWGIADBP-FRRDWIJNSA-N 2 0 237.391 1.391 20 0 BDADRP [NH3+]C[C@H](N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C1CCCC1 ZINC000925707594 646432212 /nfs/dbraw/zinc/43/22/12/646432212.db2.gz LTLFDKINMYYQGJ-PMKSJIGOSA-N 2 0 249.402 1.090 20 0 BDADRP C1CC2(C1)[NH2+]CC[C@H]2N[C@H]1CCCC[NH2+]C1 ZINC000925707338 646432893 /nfs/dbraw/zinc/43/28/93/646432893.db2.gz PIKYIJAHZLRDSH-NWDGAFQWSA-N 2 0 223.364 1.003 20 0 BDADRP C(C[NH2+][C@H]1CC[NH2+]C12CCC2)C[C@H]1CCC[NH2+]1 ZINC000925710716 646434477 /nfs/dbraw/zinc/43/44/77/646434477.db2.gz QRBNPCFDQLESOH-OLZOCXBDSA-N 3 0 237.391 1.393 20 0 BDADRP COCC1(CC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925711226 646436874 /nfs/dbraw/zinc/43/68/74/646436874.db2.gz XLXNGESXZHPYRV-RYUDHWBXSA-N 2 0 238.375 1.663 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925712876 646439671 /nfs/dbraw/zinc/43/96/71/646439671.db2.gz VSNCXXJERYPJEL-UTUOFQBUSA-N 3 0 227.396 1.609 20 0 BDADRP C[N@@H+]1CCC[C@H]1CN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925716627 646440687 /nfs/dbraw/zinc/44/06/87/646440687.db2.gz BHGURRQVCOASRR-AGIUHOORSA-N 2 0 239.407 1.576 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@H]1CC[NH2+]C12CCCC2 ZINC000925717660 646442783 /nfs/dbraw/zinc/44/27/83/646442783.db2.gz VSPDPDSQUAPISA-OLZOCXBDSA-N 2 0 239.407 1.624 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925718952 646444617 /nfs/dbraw/zinc/44/46/17/646444617.db2.gz KSKIBVPDYHVONX-MROQNXINSA-N 2 0 239.407 1.623 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC[NH2+]C1(C)C)C1CC[NH2+]CC1 ZINC000925727050 646449228 /nfs/dbraw/zinc/44/92/28/646449228.db2.gz CBEPKXSQUYYCQR-PWSUYJOCSA-N 2 0 225.380 1.105 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925726489 646451917 /nfs/dbraw/zinc/45/19/17/646451917.db2.gz IVSLMSVUIMXKMZ-RNJOBUHISA-N 3 0 237.391 1.247 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@H]1C=CCC1 ZINC000925729888 646454520 /nfs/dbraw/zinc/45/45/20/646454520.db2.gz AFNPWFAVROFPTD-ZDEQEGDKSA-N 2 0 224.348 1.295 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCC(C)(C)[NH3+] ZINC000925737484 646461138 /nfs/dbraw/zinc/46/11/38/646461138.db2.gz JEACQLGPUQKUHH-SNVBAGLBSA-N 3 0 201.358 1.221 20 0 BDADRP C[C@@H]1C[C@@H](NCCC(C)(C)[NH3+])C[N@@H+]1C1CC1 ZINC000925742695 646465098 /nfs/dbraw/zinc/46/50/98/646465098.db2.gz XBKTYOSRPLILON-GHMZBOCLSA-N 2 0 225.380 1.329 20 0 BDADRP CCC1([NH3+])CCN([C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000925755326 646465289 /nfs/dbraw/zinc/46/52/89/646465289.db2.gz DLRUIPLCCWXFNJ-RYUDHWBXSA-N 2 0 225.380 1.140 20 0 BDADRP C[C@H]([NH2+]CCC(C)(C)[NH3+])c1cncc(F)c1 ZINC000925742835 646465323 /nfs/dbraw/zinc/46/53/23/646465323.db2.gz XMSQXBHEBFACKT-VIFPVBQESA-N 2 0 225.311 1.999 20 0 BDADRP C[C@@H]1C[C@H](NCCC(C)(C)[NH3+])C[N@@H+]1C1CC1 ZINC000925742696 646465385 /nfs/dbraw/zinc/46/53/85/646465385.db2.gz XBKTYOSRPLILON-MNOVXSKESA-N 2 0 225.380 1.329 20 0 BDADRP CCC1([NH3+])CCN([C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000925761519 646466840 /nfs/dbraw/zinc/46/68/40/646466840.db2.gz WMDIWJXLUSWGHH-NEPJUHHUSA-N 2 0 225.380 1.330 20 0 BDADRP CCC1([NH3+])CCN([C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000925761801 646466900 /nfs/dbraw/zinc/46/69/00/646466900.db2.gz ZITBFEKQLRUANH-GHMZBOCLSA-N 2 0 213.369 1.316 20 0 BDADRP CCC1([NH3+])CCN([C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000925759839 646466938 /nfs/dbraw/zinc/46/69/38/646466938.db2.gz IDMUIILRHDPKPE-RYUDHWBXSA-N 2 0 225.380 1.317 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C ZINC000925773812 646472090 /nfs/dbraw/zinc/47/20/90/646472090.db2.gz PLASMWVQCPIWBF-RJRAAQABSA-N 2 0 210.365 1.994 20 0 BDADRP CC1(C)CO[C@H](CC[NH2+][C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000925773609 646472171 /nfs/dbraw/zinc/47/21/71/646472171.db2.gz FDBVSHSTNFIABL-GRYCIOLGSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)C1CCSCC1 ZINC000925786805 646482879 /nfs/dbraw/zinc/48/28/79/646482879.db2.gz VJCUOUZRLUTJRA-MDZLAQPJSA-N 2 0 242.432 1.963 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000925786203 646483779 /nfs/dbraw/zinc/48/37/79/646483779.db2.gz RUCBAVHXTUNRLD-WRWGMCAJSA-N 2 0 212.337 1.142 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000925792118 646485624 /nfs/dbraw/zinc/48/56/24/646485624.db2.gz SZKIRBAVYZGXSH-VOAKCMCISA-N 2 0 237.391 1.057 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccncc1 ZINC000925795689 646486465 /nfs/dbraw/zinc/48/64/65/646486465.db2.gz HYTJTSOXCXABLS-YRGRVCCFSA-N 2 0 233.359 1.978 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925795800 646487191 /nfs/dbraw/zinc/48/71/91/646487191.db2.gz QICPRYLDGITOED-JHJVBQTASA-N 3 0 237.391 1.106 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000925802770 646488310 /nfs/dbraw/zinc/48/83/10/646488310.db2.gz RANKEYSKYDNOEA-VOAKCMCISA-N 2 0 208.349 1.892 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1NCc1cc(N(C)C)cc[nH+]1 ZINC000925815657 646491610 /nfs/dbraw/zinc/49/16/10/646491610.db2.gz YHLIBARRAYGHHM-SMDDNHRTSA-N 2 0 248.374 1.378 20 0 BDADRP CC(C)[C@@H]1CC[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925817330 646493638 /nfs/dbraw/zinc/49/36/38/646493638.db2.gz QFGSQAYVSRZQRI-KBPBESRZSA-N 2 0 239.407 1.434 20 0 BDADRP CC[C@H]1CC[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925818223 646494223 /nfs/dbraw/zinc/49/42/23/646494223.db2.gz ZTGJNZYSABJQKD-AAEUAGOBSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925823845 646496960 /nfs/dbraw/zinc/49/69/60/646496960.db2.gz PPNJMPBDBPKJBI-QKFSQAGISA-N 2 0 220.360 1.890 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCN1CCc2ccccc21 ZINC000925838544 646504591 /nfs/dbraw/zinc/50/45/91/646504591.db2.gz YQZJARGGZPWRNY-KGLIPLIRSA-N 2 0 245.370 1.519 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCN1CCc2ccccc21 ZINC000925838542 646505231 /nfs/dbraw/zinc/50/52/31/646505231.db2.gz YQZJARGGZPWRNY-KBPBESRZSA-N 2 0 245.370 1.519 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925840513 646506590 /nfs/dbraw/zinc/50/65/90/646506590.db2.gz AZAQKGVWKFSTMO-UMSGYPCISA-N 2 0 226.364 1.532 20 0 BDADRP C[C@H]1CC[NH2+]C[C@@H]1NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925841530 646507495 /nfs/dbraw/zinc/50/74/95/646507495.db2.gz PTWSLLFRUQHSEM-IGQOVBAYSA-N 2 0 237.391 1.106 20 0 BDADRP COC[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)C(C)C ZINC000925845622 646509964 /nfs/dbraw/zinc/50/99/64/646509964.db2.gz YYRSPJWCSICZHD-MGPQQGTHSA-N 2 0 240.391 1.779 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCS[C@@H](C)C1 ZINC000925855456 646511695 /nfs/dbraw/zinc/51/16/95/646511695.db2.gz CMYGGRUWKMQEOK-TUAOUCFPSA-N 2 0 246.420 1.614 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000925860511 646512612 /nfs/dbraw/zinc/51/26/12/646512612.db2.gz ZBTAPFMOUPMIPE-XQQFMLRXSA-N 2 0 228.380 1.658 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000925860411 646512884 /nfs/dbraw/zinc/51/28/84/646512884.db2.gz YEZJEQXCEJMKJN-UPJWGTAASA-N 2 0 228.380 1.515 20 0 BDADRP COC[C@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]1)C(C)C ZINC000925874153 646523575 /nfs/dbraw/zinc/52/35/75/646523575.db2.gz OUHCTNFYGZGFIB-FRRDWIJNSA-N 2 0 228.380 1.635 20 0 BDADRP COC[C@H](C[NH2+][C@H]1CC[NH2+]C1(C)C)C(C)C ZINC000925875085 646523751 /nfs/dbraw/zinc/52/37/51/646523751.db2.gz YPPZAHWQVVKULL-RYUDHWBXSA-N 2 0 228.380 1.635 20 0 BDADRP COC[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)C(C)C ZINC000925874219 646524513 /nfs/dbraw/zinc/52/45/13/646524513.db2.gz PPZANSLQZOZGNQ-RDBSUJKOSA-N 2 0 242.407 1.883 20 0 BDADRP COC[C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)C(C)C ZINC000925872921 646524874 /nfs/dbraw/zinc/52/48/74/646524874.db2.gz BINPSTASYMSZBH-AVGNSLFASA-N 2 0 228.380 1.765 20 0 BDADRP COCCC[C@@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925875041 646526449 /nfs/dbraw/zinc/52/64/49/646526449.db2.gz CHKVJKDCIJLNMX-UTUOFQBUSA-N 2 0 214.353 1.519 20 0 BDADRP Cc1ccc(NCC[NH2+][C@@H](C)C[C@@H](C)[NH3+])nc1 ZINC000925877040 646527241 /nfs/dbraw/zinc/52/72/41/646527241.db2.gz DNDYQAUNYHJACX-NEPJUHHUSA-N 2 0 236.363 1.517 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925876485 646528025 /nfs/dbraw/zinc/52/80/25/646528025.db2.gz ZJGGLTHFISDTGE-ZDCRXTMVSA-N 2 0 200.326 1.127 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)c2nccn21 ZINC000925880556 646531392 /nfs/dbraw/zinc/53/13/92/646531392.db2.gz RYSKMUNIISJLRP-WHOHXGKFSA-N 2 0 234.347 1.606 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000925893119 646534819 /nfs/dbraw/zinc/53/48/19/646534819.db2.gz LHTUHWOMLSIKRZ-TUAOUCFPSA-N 2 0 226.364 1.804 20 0 BDADRP C1CC1([NH2+][C@@H]1CCC[NH2+]CC1)[C@@H]1CCCCO1 ZINC000925893123 646535434 /nfs/dbraw/zinc/53/54/34/646535434.db2.gz LKRVIQIKQHOBGS-OLZOCXBDSA-N 2 0 238.375 1.820 20 0 BDADRP C[NH+](C)CCOCC[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000926254147 646605452 /nfs/dbraw/zinc/60/54/52/646605452.db2.gz KSYWBHNIYBKXFZ-BFHYXJOUSA-N 2 0 238.375 1.509 20 0 BDADRP C[C@H](C[NH2+]C1CC2(C1)CO[C@H](C)C2)C[NH+](C)C ZINC000926468237 646652433 /nfs/dbraw/zinc/65/24/33/646652433.db2.gz ASMABZFKGWFJJQ-IWMBGFJWSA-N 2 0 240.391 1.731 20 0 BDADRP C[N@@H+]1CCCC[C@@H](CNCc2c[nH]cn2)C1 ZINC000700786886 712005161 /nfs/dbraw/zinc/00/51/61/712005161.db2.gz TXRUSXVCNUKXBT-NSHDSACASA-N 2 0 222.336 1.231 20 0 BDADRP COC1CC(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)C1 ZINC000703161175 712067218 /nfs/dbraw/zinc/06/72/18/712067218.db2.gz BQLNGAJZZHUPPT-QTAHKJALSA-N 2 0 212.337 1.223 20 0 BDADRP COC1CC(C[NH2+][C@@](C)(CN)C(C)C)C1 ZINC000703447406 712076150 /nfs/dbraw/zinc/07/61/50/712076150.db2.gz WWRLCHHCMPABSE-MCIGGMRASA-N 2 0 214.353 1.374 20 0 BDADRP CC1(O)CCC([NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000703606822 712080370 /nfs/dbraw/zinc/08/03/70/712080370.db2.gz ZQVADKHESZDNNF-ZIHBUVQPSA-N 2 0 240.391 1.787 20 0 BDADRP COC1CC(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)C1 ZINC000703844840 712090589 /nfs/dbraw/zinc/09/05/89/712090589.db2.gz DCRXZPULRQKHLJ-QTAHKJALSA-N 2 0 212.337 1.081 20 0 BDADRP CCOC[C@@H]1CC[N@H+](CCCCCC[NH3+])C1 ZINC000707522775 712171835 /nfs/dbraw/zinc/17/18/35/712171835.db2.gz JDJHQWKCBLLHKC-CYBMUJFWSA-N 2 0 228.380 1.864 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)C1 ZINC000708678804 712196047 /nfs/dbraw/zinc/19/60/47/712196047.db2.gz BCGNAHINEUNTIT-LMLFDSFASA-N 2 0 212.337 1.127 20 0 BDADRP C[NH+](C)CC1(O)CC[NH+](CC2=CCCC2)CC1 ZINC000710573305 712263427 /nfs/dbraw/zinc/26/34/27/712263427.db2.gz JASUHJSFZQGHIF-UHFFFAOYSA-N 2 0 238.375 1.485 20 0 BDADRP FC[C@H]1CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000711440268 712300885 /nfs/dbraw/zinc/30/08/85/712300885.db2.gz DBOCEWLKUXCOCZ-VXGBXAGGSA-N 2 0 242.338 1.189 20 0 BDADRP C[C@@H]1CCC[N@H+](CCOC2CC2)[C@H]1CC[NH3+] ZINC000711776982 712328613 /nfs/dbraw/zinc/32/86/13/712328613.db2.gz PYLSVRUHZMWSLJ-YPMHNXCESA-N 2 0 226.364 1.615 20 0 BDADRP C[C@H]1COCC[C@@H]1[NH2+]CCC(C)(C)[NH3+] ZINC000379511096 712386575 /nfs/dbraw/zinc/38/65/75/712386575.db2.gz XOSWFQSBCWWJKG-UWVGGRQHSA-N 2 0 200.326 1.128 20 0 BDADRP CC1(C)CC[C@@H](C[N@@H+]2CC[C@@H](C[NH3+])C2)OC1 ZINC000713592943 712466200 /nfs/dbraw/zinc/46/62/00/712466200.db2.gz OQDOYIKBVWPZAQ-RYUDHWBXSA-N 2 0 226.364 1.472 20 0 BDADRP C[N@H+](C[C@H]1CCC(C)(C)CO1)C1CC([NH3+])C1 ZINC000713587494 712466264 /nfs/dbraw/zinc/46/62/64/712466264.db2.gz QWDSSZWBADOREX-HTAVTVPLSA-N 2 0 226.364 1.613 20 0 BDADRP C[N@H+](C[C@@H]1CC[C@H](C2CC2)O1)C1CC([NH3+])C1 ZINC000715390820 712522054 /nfs/dbraw/zinc/52/20/54/712522054.db2.gz VFDXOADWKNEAAB-IFWUJCSASA-N 2 0 224.348 1.366 20 0 BDADRP C[N@H+](C[C@H]1CC[C@@H](C2CC2)O1)C1CC([NH3+])C1 ZINC000715391044 712522064 /nfs/dbraw/zinc/52/20/64/712522064.db2.gz VFDXOADWKNEAAB-TUUUFIMRSA-N 2 0 224.348 1.366 20 0 BDADRP C[C@H](O)C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715510986 712524223 /nfs/dbraw/zinc/52/42/23/712524223.db2.gz RZXQTFMGKTXTFH-UNXYVOJBSA-N 2 0 214.353 1.220 20 0 BDADRP C[C@H]1COC[C@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715574513 712529455 /nfs/dbraw/zinc/52/94/55/712529455.db2.gz UUBBFXTYUQSSLO-YWPUVAFDSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CCCS1)C1C[NH2+]C1 ZINC000715642593 712529922 /nfs/dbraw/zinc/52/99/22/712529922.db2.gz KQRMYDMMNPCRCM-MWLCHTKSSA-N 2 0 214.378 1.470 20 0 BDADRP CCCC[C@@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000037229172 712554504 /nfs/dbraw/zinc/55/45/04/712554504.db2.gz KLNJNAKBKCAUMT-CQSZACIVSA-N 2 0 241.423 1.792 20 0 BDADRP CC[C@H]([NH2+]CCCN1CC[NH+](C)CC1)C(C)C ZINC000037229174 712554688 /nfs/dbraw/zinc/55/46/88/712554688.db2.gz MTWLOZMEUSKPCH-AWEZNQCLSA-N 2 0 241.423 1.648 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1ncc[nH]1 ZINC000379854583 712616892 /nfs/dbraw/zinc/61/68/92/712616892.db2.gz BKJHXZOCHFZYIJ-NXEZZACHSA-N 2 0 210.325 1.578 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]CC2CC=CC2)C12CCC2 ZINC000717388545 712653165 /nfs/dbraw/zinc/65/31/65/712653165.db2.gz QSBIWAVUNWZINM-RYUDHWBXSA-N 2 0 206.333 1.812 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CCC=CO1 ZINC000380004458 712651914 /nfs/dbraw/zinc/65/19/14/712651914.db2.gz BEWNBMLCSGTCKS-NWDGAFQWSA-N 2 0 212.337 1.786 20 0 BDADRP COCC(C)(C)CC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000718793708 712783881 /nfs/dbraw/zinc/78/38/81/712783881.db2.gz XCCVMNBDENQOEB-RYUDHWBXSA-N 2 0 228.380 1.766 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@]2(C)CCC[NH2+]C2)CCO1 ZINC000719780184 712824658 /nfs/dbraw/zinc/82/46/58/712824658.db2.gz UUPLATLBOLOFDM-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000719778907 712824749 /nfs/dbraw/zinc/82/47/49/712824749.db2.gz MPAZBRAZSLCYLH-GFCCVEGCSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[C@@H]1C ZINC000381479503 710644088 /nfs/dbraw/zinc/64/40/88/710644088.db2.gz SDKVPGXRMXKYCC-XQQFMLRXSA-N 2 0 225.380 1.010 20 0 BDADRP CC1(C)[C@@H]2C[N@@H+](C[C@@H](O)C[NH+]3CCCC3)C[C@@H]21 ZINC000380392061 712900437 /nfs/dbraw/zinc/90/04/37/712900437.db2.gz CQCJBQUORRXEPJ-RWMBFGLXSA-N 2 0 238.375 1.031 20 0 BDADRP C[C@H]1OCC[N@H+](CCCCCC[NH3+])[C@H]1C ZINC000380422781 712900644 /nfs/dbraw/zinc/90/06/44/712900644.db2.gz DBSHMNQOHITQCW-NWDGAFQWSA-N 2 0 214.353 1.615 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCC[C@]2(C)CO)CC1 ZINC000723039424 710723468 /nfs/dbraw/zinc/72/34/68/710723468.db2.gz RDRGDBMZKQSAIV-CYBMUJFWSA-N 2 0 226.364 1.175 20 0 BDADRP COC(=O)CCCC[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723702196 710731381 /nfs/dbraw/zinc/73/13/81/710731381.db2.gz ZCQYUGKJTHSMKU-LLVKDONJSA-N 2 0 228.336 1.000 20 0 BDADRP CC[C@@H]1C[C@H](C)C[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000399117508 710913593 /nfs/dbraw/zinc/91/35/93/710913593.db2.gz NFMCSEHGNDHODF-QNWHQSFQSA-N 2 0 210.365 1.962 20 0 BDADRP CCOC(=O)[C@H]1CCC[N@@H+]1CCCCCC[NH3+] ZINC000385362410 711011263 /nfs/dbraw/zinc/01/12/63/711011263.db2.gz IHPOXCHRFTXNFK-GFCCVEGCSA-N 2 0 242.363 1.533 20 0 BDADRP C(C[NH+]1CCCCC1)N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000385547801 711014723 /nfs/dbraw/zinc/01/47/23/711014723.db2.gz WFDAYFSEVOIWDX-BTFPBAQTSA-N 2 0 249.402 1.058 20 0 BDADRP CC[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@H](C)O ZINC000386729013 711035735 /nfs/dbraw/zinc/03/57/35/711035735.db2.gz UVILWPYLVFEAJE-JQWIXIFHSA-N 2 0 214.353 1.077 20 0 BDADRP C[NH+]1CCC(C[NH2+]CCCCF)CC1 ZINC000389259926 711074539 /nfs/dbraw/zinc/07/45/39/711074539.db2.gz GCZNQPUVGWNOAK-UHFFFAOYSA-N 2 0 202.317 1.668 20 0 BDADRP C[C@@H]1CC[C@H]1[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000389318038 711076188 /nfs/dbraw/zinc/07/61/88/711076188.db2.gz FYUIADDGOZUIBG-NQBHXWOUSA-N 2 0 208.349 1.859 20 0 BDADRP C[C@H]([NH2+]CCc1cnccn1)C1CC[NH+](C)CC1 ZINC000389962522 711100788 /nfs/dbraw/zinc/10/07/88/711100788.db2.gz PQWOJFTYYLUVRA-LBPRGKRZSA-N 2 0 248.374 1.339 20 0 BDADRP CC(F)(F)CCC[NH2+]CC1([NH3+])CCC1 ZINC000390047417 711105073 /nfs/dbraw/zinc/10/50/73/711105073.db2.gz LTBIOMJWLQQVJC-UHFFFAOYSA-N 2 0 206.280 1.893 20 0 BDADRP Cc1nnc(C[NH2+]CC2CC[NH+](C)CC2)s1 ZINC000391860143 711140079 /nfs/dbraw/zinc/14/00/79/711140079.db2.gz OUFADLNQRPPWBF-UHFFFAOYSA-N 2 0 240.376 1.278 20 0 BDADRP Cc1cc(C)n(CC[N@@H+]2CC[C@H](CC[NH3+])C2)n1 ZINC000395334880 711207756 /nfs/dbraw/zinc/20/77/56/711207756.db2.gz UJDREZLZULZGMT-ZDUSSCGKSA-N 2 0 236.363 1.171 20 0 BDADRP CCCCOCCC[NH2+][C@@H]1CCCN[C@H]1C ZINC000396638320 711361382 /nfs/dbraw/zinc/36/13/82/711361382.db2.gz LZUUOTHJXCEISR-QWHCGFSZSA-N 2 0 228.380 1.923 20 0 BDADRP CC(C)[NH+](CCN[C@H]1CCC[NH2+][C@@H]1C)C(C)C ZINC000396583173 711353737 /nfs/dbraw/zinc/35/37/37/711353737.db2.gz GGMMJNGJQHLWQU-KGLIPLIRSA-N 2 0 241.423 1.835 20 0 BDADRP C[C@H]1[NH2+]CCC[C@@H]1NCCC[NH+]1CCCCC1 ZINC000396576431 711358007 /nfs/dbraw/zinc/35/80/07/711358007.db2.gz CPPCMHISZROMOL-KGLIPLIRSA-N 2 0 239.407 1.593 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000398652209 711413610 /nfs/dbraw/zinc/41/36/10/711413610.db2.gz CABADKIQGGJEDH-BBMNEWJDSA-N 2 0 238.375 1.124 20 0 BDADRP C[N@H+](C[C@H]1CCOC1)C[C@@]1(C)CCC[NH2+]C1 ZINC000398879129 711416376 /nfs/dbraw/zinc/41/63/76/711416376.db2.gz GSPFETAAMVEQQJ-OLZOCXBDSA-N 2 0 226.364 1.344 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000399283269 711426103 /nfs/dbraw/zinc/42/61/03/711426103.db2.gz ZEFAHIMPQFLIQW-DTWKUNHWSA-N 2 0 237.174 1.851 20 0 BDADRP CC[N@H+](CCNC(=[NH2+])NC1CCCC1)C1CC1 ZINC000066246557 710639008 /nfs/dbraw/zinc/63/90/08/710639008.db2.gz FXXIRRWCCGNHHX-UHFFFAOYSA-N 2 0 238.379 1.527 20 0 BDADRP COC[C@H](C[N@@H+]1CC[C@H](CC[NH3+])C1)C(C)C ZINC000721922823 710692890 /nfs/dbraw/zinc/69/28/90/710692890.db2.gz WUUJRIBXPYSOCC-STQMWFEESA-N 2 0 228.380 1.576 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1NCCOCc1ccccc1 ZINC000396684193 711364984 /nfs/dbraw/zinc/36/49/84/711364984.db2.gz XILZNFAKCBOLKY-ZFWWWQNUSA-N 2 0 248.370 1.933 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000396719567 711367391 /nfs/dbraw/zinc/36/73/91/711367391.db2.gz SNQFEDPXCXLXAJ-RWMBFGLXSA-N 2 0 225.380 1.201 20 0 BDADRP C1[C@@H]2C[C@@H]([NH2+][C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)C[C@H]12 ZINC000397853767 711393640 /nfs/dbraw/zinc/39/36/40/711393640.db2.gz UBAIIYKSYZOKFM-QILJZSLXSA-N 2 0 218.344 1.371 20 0 BDADRP C[NH+](C)CC1CCN(C[C@@H]([NH3+])CC(F)F)CC1 ZINC000383462727 711459795 /nfs/dbraw/zinc/45/97/95/711459795.db2.gz MYZWYEHRYADKQN-NSHDSACASA-N 2 0 249.349 1.243 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C2CSC2)C1 ZINC000307428580 711480352 /nfs/dbraw/zinc/48/03/52/711480352.db2.gz UEIPVOVGYVZGAT-MWLCHTKSSA-N 2 0 214.378 1.564 20 0 BDADRP C[NH+](C)CCCCNC(=O)CC[NH2+]C(C)(C)C ZINC000041679551 711483689 /nfs/dbraw/zinc/48/36/89/711483689.db2.gz OBWVKIAOLDFOSD-UHFFFAOYSA-N 2 0 243.395 1.223 20 0 BDADRP Cc1nc(C)c(CN(C)CC(C)(C)C[NH3+])o1 ZINC000723633442 711527885 /nfs/dbraw/zinc/52/78/85/711527885.db2.gz KKYVIUFECKMTJW-UHFFFAOYSA-N 2 0 225.336 1.708 20 0 BDADRP Cc1nc(C[N@@H+]2CC[C@H](CC[NH3+])C2)oc1C ZINC000723701528 711534808 /nfs/dbraw/zinc/53/48/08/711534808.db2.gz KITIJRJJQPWKAG-NSHDSACASA-N 2 0 223.320 1.462 20 0 BDADRP CCc1cnc(C[N@@H+]2CC[C@H](CC[NH3+])C2)o1 ZINC000723708757 711535235 /nfs/dbraw/zinc/53/52/35/711535235.db2.gz HYMVWGOZLCXORI-JTQLQIEISA-N 2 0 223.320 1.408 20 0 BDADRP C[C@@H]1C[C@H](C)CC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000723782529 711537267 /nfs/dbraw/zinc/53/72/67/711537267.db2.gz LVFSUFSTJFENHK-JHJVBQTASA-N 2 0 210.365 1.964 20 0 BDADRP CCSCC[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723894452 711544327 /nfs/dbraw/zinc/54/43/27/711544327.db2.gz KYQUKONCTWVALW-GHMZBOCLSA-N 2 0 216.394 1.656 20 0 BDADRP Cc1cnc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)o1 ZINC000723902671 711544635 /nfs/dbraw/zinc/54/46/35/711544635.db2.gz YDCUOVLGKWVQGT-MWLCHTKSSA-N 2 0 223.320 1.400 20 0 BDADRP Cc1ncc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)s1 ZINC000723910640 711545169 /nfs/dbraw/zinc/54/51/69/711545169.db2.gz XLUAIQXYYMPLTC-MWLCHTKSSA-N 2 0 239.388 1.868 20 0 BDADRP CO[C@@H]1CC[C@H]1[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000724154698 711565106 /nfs/dbraw/zinc/56/51/06/711565106.db2.gz YRLBVXXLCLSXGT-JHJVBQTASA-N 2 0 226.364 1.485 20 0 BDADRP CCCCC1([NH2+]C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000934203629 711575300 /nfs/dbraw/zinc/57/53/00/711575300.db2.gz TWRYJIUUYULTOO-ZDUSSCGKSA-N 2 0 242.407 2.000 20 0 BDADRP CCC1(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000382221195 711614793 /nfs/dbraw/zinc/61/47/93/711614793.db2.gz NDTGTSVVDSHNAF-NWBUJAPZSA-N 2 0 220.360 1.763 20 0 BDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCO[C@@H]1CCOC1 ZINC000724926552 711629406 /nfs/dbraw/zinc/62/94/06/711629406.db2.gz RQODRJAJFNZKHV-CHWSQXEVSA-N 2 0 244.379 1.097 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCCCCCO ZINC000236162285 711671976 /nfs/dbraw/zinc/67/19/76/711671976.db2.gz PQKWESGDHDSOGZ-VXGBXAGGSA-N 2 0 214.353 1.256 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](CCCCCCO)C1 ZINC000236171370 711672603 /nfs/dbraw/zinc/67/26/03/711672603.db2.gz VHURJCJISBHZCH-GFCCVEGCSA-N 2 0 214.353 1.210 20 0 BDADRP CC1(C)C[C@@H]([NH2+]CCOCCF)C[C@@H]([NH3+])C1 ZINC000925715805 711712835 /nfs/dbraw/zinc/71/28/35/711712835.db2.gz HVIMTBYALOGUKK-MNOVXSKESA-N 2 0 232.343 1.468 20 0 BDADRP CCC1([NH3+])CCN([C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000925759850 711735871 /nfs/dbraw/zinc/73/58/71/711735871.db2.gz IUBJYMHAEGMCJV-HTVCTNPSSA-N 2 0 249.402 1.186 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CC[C@@H](C2CC2)O1)C1C[NH2+]C1 ZINC000722325348 711737465 /nfs/dbraw/zinc/73/74/65/711737465.db2.gz PPAAEPCRZLBFCZ-BIMULSAOSA-N 2 0 224.348 1.142 20 0 BDADRP COC[C@H](C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)C(C)C ZINC000721784277 711769706 /nfs/dbraw/zinc/76/97/06/711769706.db2.gz XTZJYRCDXZWAFN-MJBXVCDLSA-N 2 0 240.391 1.446 20 0 BDADRP CC(C)[C@H]([NH3+])c1noc([C@@H]2CC[N@H+](C)C2)n1 ZINC000721349928 711803045 /nfs/dbraw/zinc/80/30/45/711803045.db2.gz IPTKGSBPOAANKM-BDAKNGLRSA-N 2 0 224.308 1.145 20 0 BDADRP CO[C@H]1C[C@@H](C[NH+]2CCC([C@@H](C)[NH3+])CC2)C1 ZINC000721908795 711814190 /nfs/dbraw/zinc/81/41/90/711814190.db2.gz PHHBIZUBQXTRFO-WZRBSPASSA-N 2 0 226.364 1.471 20 0 BDADRP Cc1c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cnn1C ZINC000229067864 711837277 /nfs/dbraw/zinc/83/72/77/711837277.db2.gz QVGSNOOTPYDJEA-JQWIXIFHSA-N 2 0 236.363 1.145 20 0 BDADRP Cc1nccn1CCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925473660 711878713 /nfs/dbraw/zinc/87/87/13/711878713.db2.gz NWXRYPJMMRHPPA-OLZOCXBDSA-N 2 0 248.374 1.441 20 0 BDADRP COC1CCC([NH2+]CC[C@@H](C)[NH+](C)C)CC1 ZINC000700542897 711996643 /nfs/dbraw/zinc/99/66/43/711996643.db2.gz XECFZTQBTWDHJI-PNESKVBLSA-N 2 0 228.380 1.874 20 0 BDADRP CC(C)CC1([NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000701425719 712022674 /nfs/dbraw/zinc/02/26/74/712022674.db2.gz AJVYSDQDNLRKEG-ZDUSSCGKSA-N 2 0 240.391 1.611 20 0 BDADRP CC[C@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H](CC)CO1 ZINC000703616585 712081257 /nfs/dbraw/zinc/08/12/57/712081257.db2.gz OIOSHUSQJGFCMG-RNJOBUHISA-N 2 0 226.364 1.613 20 0 BDADRP C[C@H]([NH2+]C1CCC(C)(O)CC1)[C@H]1CC[NH2+]C1 ZINC000703604736 712081904 /nfs/dbraw/zinc/08/19/04/712081904.db2.gz IYKWHZIWPUKGMO-ZSVAQUKISA-N 2 0 226.364 1.268 20 0 BDADRP COC(=O)CCCC[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000707541192 712171614 /nfs/dbraw/zinc/17/16/14/712171614.db2.gz SXUPTQORRGERFK-LLVKDONJSA-N 2 0 228.336 1.000 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000708678836 712196458 /nfs/dbraw/zinc/19/64/58/712196458.db2.gz CCAYYUCLEXBHLB-USZNOCQGSA-N 2 0 224.348 1.271 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+]C1CCC([NH3+])CC1)[NH2+]2 ZINC000709293669 712219277 /nfs/dbraw/zinc/21/92/77/712219277.db2.gz URJNVLUHJMITGE-PKGPWNPJSA-N 3 0 237.391 1.375 20 0 BDADRP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000709412937 712221277 /nfs/dbraw/zinc/22/12/77/712221277.db2.gz ACEBDPJWVSWLFL-IXXDHKBRSA-N 2 0 246.354 1.593 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCC[C@H]2CCO)CC1 ZINC000709409085 712221389 /nfs/dbraw/zinc/22/13/89/712221389.db2.gz ZNTZBVCBVFTPJQ-ZDUSSCGKSA-N 2 0 226.364 1.175 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@@H]1CCCOC1)[NH2+]2 ZINC000709447042 712222017 /nfs/dbraw/zinc/22/20/17/712222017.db2.gz DYCPQVFOXOROTN-NZEXEKPDSA-N 2 0 224.348 1.284 20 0 BDADRP Oc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000709450204 712222026 /nfs/dbraw/zinc/22/20/26/712222026.db2.gz USJHJYGHHGSWCG-FUNVUKJBSA-N 2 0 232.327 1.765 20 0 BDADRP CC[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709791255 712227198 /nfs/dbraw/zinc/22/71/98/712227198.db2.gz AHEGJGOCWWIQKH-DJLDLDEBSA-N 2 0 224.270 1.854 20 0 BDADRP CC[NH+]1CCC([NH2+]CCc2ccns2)CC1 ZINC000709826033 712228768 /nfs/dbraw/zinc/22/87/68/712228768.db2.gz OWHGJRWUMJRTBW-UHFFFAOYSA-N 2 0 239.388 1.760 20 0 BDADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@H]1CCCCO1)C2 ZINC000709825571 712228850 /nfs/dbraw/zinc/22/88/50/712228850.db2.gz KCMINBIOHQMMOV-QNWHQSFQSA-N 2 0 224.348 1.367 20 0 BDADRP C[C@H]1C[N@H+](CCc2ccns2)CC[C@H]1[NH3+] ZINC000709965332 712235274 /nfs/dbraw/zinc/23/52/74/712235274.db2.gz BJVXZJOTBVVIPW-GXSJLCMTSA-N 2 0 225.361 1.355 20 0 BDADRP C[C@@H](c1cnccn1)[N@H+](C)CCCCCC[NH3+] ZINC000710714768 712255511 /nfs/dbraw/zinc/25/55/11/712255511.db2.gz USLRJRZEDPZUPK-LBPRGKRZSA-N 2 0 236.363 1.989 20 0 BDADRP C[C@H]1C[C@@H]([N@H+](C)CCCCCC[NH3+])CCN1C ZINC000710725074 712255684 /nfs/dbraw/zinc/25/56/84/712255684.db2.gz SGBRWKDEGVPIJI-KBPBESRZSA-N 2 0 241.423 1.920 20 0 BDADRP CC[C@@H]1COC[C@H]1[NH2+]C[C@H](C)C[NH+](C)C ZINC000711075132 712278793 /nfs/dbraw/zinc/27/87/93/712278793.db2.gz OZTHGTJNVVOIPF-QJPTWQEYSA-N 2 0 214.353 1.199 20 0 BDADRP CCn1cc(C[NH2+]CCC(C)(C)[NH3+])cn1 ZINC000711120563 712285545 /nfs/dbraw/zinc/28/55/45/712285545.db2.gz ACLCDAJEAPXHEY-UHFFFAOYSA-N 2 0 210.325 1.120 20 0 BDADRP FC[C@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000711440770 712301040 /nfs/dbraw/zinc/30/10/40/712301040.db2.gz FSIJNIIUDSPBIY-NWDGAFQWSA-N 2 0 214.328 1.668 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CCC3(CCC3)O2)CC[C@H]1[NH3+] ZINC000711473216 712303461 /nfs/dbraw/zinc/30/34/61/712303461.db2.gz XZQBUPVAVADESA-JHJVBQTASA-N 2 0 238.375 1.757 20 0 BDADRP C[NH+]1CCC(C[NH2+]Cc2nccn2C2CC2)CC1 ZINC000711747697 712323740 /nfs/dbraw/zinc/32/37/40/712323740.db2.gz WHSHGQKKYGCVBB-UHFFFAOYSA-N 2 0 248.374 1.649 20 0 BDADRP C[C@H]1CC[N@H+](CCOC2CC2)C[C@@H]1C[NH3+] ZINC000711754304 712324787 /nfs/dbraw/zinc/32/47/87/712324787.db2.gz UDRAYRKKLQBKEE-QWRGUYRKSA-N 2 0 212.337 1.082 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2ccc3c(c2)COC3)C1 ZINC000923479704 712334281 /nfs/dbraw/zinc/33/42/81/712334281.db2.gz BKGVCRMTESTPLG-GFCCVEGCSA-N 2 0 246.354 1.888 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000712533994 712442197 /nfs/dbraw/zinc/44/21/97/712442197.db2.gz RSAIQCDVUDJHME-OLZOCXBDSA-N 2 0 238.375 1.759 20 0 BDADRP C[C@@H]1CC[C@@H](C[N@@H+]2CC[NH2+]CCC2(C)C)O1 ZINC000712555627 712445056 /nfs/dbraw/zinc/44/50/56/712445056.db2.gz WYYIDXXHOAEZSP-NEPJUHHUSA-N 2 0 226.364 1.628 20 0 BDADRP CC[N@@H+]1CC[C@H]1CNc1cc[nH+]c(C)c1 ZINC000712566162 712446248 /nfs/dbraw/zinc/44/62/48/712446248.db2.gz VEIHGBKMXRKHLC-LBPRGKRZSA-N 2 0 205.305 1.318 20 0 BDADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@H](C)[NH+](C)C ZINC000713010691 712451077 /nfs/dbraw/zinc/45/10/77/712451077.db2.gz WBTBFJHYXBNLIR-QWRGUYRKSA-N 2 0 243.395 1.062 20 0 BDADRP Cc1nocc1C[N@H+](C)CCCCCC[NH3+] ZINC000713485251 712462089 /nfs/dbraw/zinc/46/20/89/712462089.db2.gz GGMNYQAGXIHZJV-UHFFFAOYSA-N 2 0 225.336 1.934 20 0 BDADRP CC1(C)CC[C@H](C[NH+]2CCC(C[NH3+])CC2)OC1 ZINC000713585008 712466101 /nfs/dbraw/zinc/46/61/01/712466101.db2.gz HXDAIQCFXXVWCI-CYBMUJFWSA-N 2 0 240.391 1.862 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+]C2CC[NH+](C(C)C)CC2)C1 ZINC000714633512 712494649 /nfs/dbraw/zinc/49/46/49/712494649.db2.gz VOUCIUZLDIXIMA-MQMHXKEQSA-N 2 0 240.391 1.874 20 0 BDADRP CC1(C)CN(C[C@@H]2CC[C@H](C3CC3)O2)C[C@@H]1[NH3+] ZINC000715412089 712517706 /nfs/dbraw/zinc/51/77/06/712517706.db2.gz FPYDRHMKDFZWJX-XQQFMLRXSA-N 2 0 238.375 1.613 20 0 BDADRP FC1(F)[C@H]2C[N@H+](CC[C@H]3CCC[NH2+]C3)C[C@H]21 ZINC000715463690 712519886 /nfs/dbraw/zinc/51/98/86/712519886.db2.gz XVRMHXMXZGLLJW-MXWKQRLJSA-N 2 0 230.302 1.573 20 0 BDADRP FC1(F)[C@H]2C[N@H+](CCCC3CC[NH2+]CC3)C[C@H]21 ZINC000715472903 712520159 /nfs/dbraw/zinc/52/01/59/712520159.db2.gz KTQGPALDAAAYOK-TXEJJXNPSA-N 2 0 244.329 1.963 20 0 BDADRP FC1(F)[C@H]2C[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]21 ZINC000715468587 712520427 /nfs/dbraw/zinc/52/04/27/712520427.db2.gz CKVBMNHESIDQNL-CQGIUEJESA-N 2 0 242.313 1.714 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](C[C@H]2CC[C@H](C3CC3)O2)C1 ZINC000715493419 712523586 /nfs/dbraw/zinc/52/35/86/712523586.db2.gz BYFRHEVXVUFTFA-MGPQQGTHSA-N 2 0 238.375 1.615 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H]2CC[C@@H](C3CC3)O2)C1 ZINC000715513046 712524963 /nfs/dbraw/zinc/52/49/63/712524963.db2.gz YAWBFWRQYZKYGQ-UBHSHLNASA-N 2 0 238.375 1.485 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CC[C@@H]1CCCS1 ZINC000715600544 712527577 /nfs/dbraw/zinc/52/75/77/712527577.db2.gz JFYGYNSYXSAXBI-NEPJUHHUSA-N 2 0 246.420 1.616 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CCCS1 ZINC000715750839 712531416 /nfs/dbraw/zinc/53/14/16/712531416.db2.gz BWQYMJDCZJWGKX-SDDRHHMPSA-N 2 0 228.405 1.989 20 0 BDADRP CC1(CC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])OCCO1 ZINC000715926649 712543002 /nfs/dbraw/zinc/54/30/02/712543002.db2.gz KNPNMZYROSQMQB-NWDGAFQWSA-N 2 0 242.363 1.247 20 0 BDADRP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000716612304 712567527 /nfs/dbraw/zinc/56/75/27/712567527.db2.gz YXGGXGWZNUCSCB-ZUWXAHSQSA-N 2 0 246.398 1.865 20 0 BDADRP Cc1n[nH]c(C[NH2+]CCCC[NH+](C)C)c1C ZINC000716676495 712569293 /nfs/dbraw/zinc/56/92/93/712569293.db2.gz OLFCDGXFBWNPTC-UHFFFAOYSA-N 2 0 224.352 1.458 20 0 BDADRP COC1(C[NH2+]CCC(C)(C)[NH3+])CCCC1 ZINC000379915785 712626473 /nfs/dbraw/zinc/62/64/73/712626473.db2.gz BZJRXMPPNLCCES-UHFFFAOYSA-N 2 0 214.353 1.663 20 0 BDADRP Cn1cnnc1[C@H]1CCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000717906046 712733259 /nfs/dbraw/zinc/73/32/59/712733259.db2.gz SWSUMXJTEWNXOV-GRYCIOLGSA-N 2 0 249.362 1.079 20 0 BDADRP CC(F)(F)CCC[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000718610926 712772843 /nfs/dbraw/zinc/77/28/43/712772843.db2.gz JJLXVMMACHNYIV-JTQLQIEISA-N 2 0 236.306 1.471 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]CCC[NH+](C)C)CC1 ZINC000718731995 712779317 /nfs/dbraw/zinc/77/93/17/712779317.db2.gz HVQIYHMKMNHBLS-QWHCGFSZSA-N 2 0 228.380 1.875 20 0 BDADRP COc1ccc(C[NH2+]C2CC([NH3+])C2)cc1Cl ZINC000718960014 712790109 /nfs/dbraw/zinc/79/01/09/712790109.db2.gz ZRMDFMXFVBLMDU-UHFFFAOYSA-N 2 0 240.734 1.928 20 0 BDADRP Cc1c[nH+]ccc1N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000719571681 712811014 /nfs/dbraw/zinc/81/10/14/712811014.db2.gz SOUKRGNLCHKUAB-PWSUYJOCSA-N 2 0 205.305 1.316 20 0 BDADRP C[C@@H]1[C@H](NC2CC[NH+](C3CC3)CC2)CC[N@@H+]1C ZINC000719620756 712817456 /nfs/dbraw/zinc/81/74/56/712817456.db2.gz WYPRPAIJSMSWNY-BXUZGUMPSA-N 2 0 237.391 1.295 20 0 BDADRP CC(C)[NH+]1CCC(N[C@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000719649985 712820829 /nfs/dbraw/zinc/82/08/29/712820829.db2.gz WKSJGIMEMSQEHL-JSGCOSHPSA-N 2 0 239.407 1.541 20 0 BDADRP CCc1cc(N[C@H]2CC[N@H+](C)[C@@H]2C)cc[nH+]1 ZINC000719772592 712823817 /nfs/dbraw/zinc/82/38/17/712823817.db2.gz BGGUYBUNYGGJHR-MFKMUULPSA-N 2 0 219.332 1.570 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](CCc2ccns2)CC1 ZINC000719847441 712825890 /nfs/dbraw/zinc/82/58/90/712825890.db2.gz ZIWQKPSRJHUJAV-JTQLQIEISA-N 2 0 239.388 1.745 20 0 BDADRP Cc1cc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)c(C)nn1 ZINC000720534635 712849698 /nfs/dbraw/zinc/84/96/98/712849698.db2.gz XWFSSWXYRFVUTF-GFCCVEGCSA-N 2 0 234.347 1.264 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@H](CO)C1CC1 ZINC000380304907 712864318 /nfs/dbraw/zinc/86/43/18/712864318.db2.gz FJCLHPBWOFNMBD-GFCCVEGCSA-N 2 0 214.353 1.079 20 0 BDADRP CC1(C)CN(C[C@@H]2C[C@@H]3CCC[C@H]3O2)C[C@H]1[NH3+] ZINC000720790208 712866195 /nfs/dbraw/zinc/86/61/95/712866195.db2.gz WAYBOLNGYRODME-WUHRBBMRSA-N 2 0 238.375 1.613 20 0 BDADRP C([C@@H]1C[C@H]2CCC[C@@H]2O1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000720866840 712872296 /nfs/dbraw/zinc/87/22/96/712872296.db2.gz DVDTVBRUSAZUDS-DGTMBMJNSA-N 2 0 236.359 1.095 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000720875879 712872641 /nfs/dbraw/zinc/87/26/41/712872641.db2.gz XXVYBZYOUDATJM-XHJNMGKDSA-N 2 0 238.375 1.756 20 0 BDADRP [NH3+]CC1CC[NH+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)CC1 ZINC000720874449 712872900 /nfs/dbraw/zinc/87/29/00/712872900.db2.gz SBPJUYIWLCEXQW-RDBSUJKOSA-N 2 0 238.375 1.615 20 0 BDADRP CCCC[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720873090 712873123 /nfs/dbraw/zinc/87/31/23/712873123.db2.gz SBKBVDUDPAYPFN-BDAKNGLRSA-N 2 0 224.270 1.856 20 0 BDADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2CCC[NH2+]C1CC1 ZINC000720902974 712875751 /nfs/dbraw/zinc/87/57/51/712875751.db2.gz WCZKQGTYLOIHJB-ZIAGYGMSSA-N 2 0 237.391 1.297 20 0 BDADRP CCCc1nccn1C[C@@H]1C[NH2+]C[C@H]1C ZINC000721030899 712887878 /nfs/dbraw/zinc/88/78/78/712887878.db2.gz ZOQOLBZDSCORGI-MNOVXSKESA-N 2 0 207.321 1.691 20 0 BDADRP C[C@@H](C[C@H]1CCOC1)[NH2+]CC1CC[NH+](C)CC1 ZINC000689834914 958410773 /nfs/dbraw/zinc/41/07/73/958410773.db2.gz JQKDHNJGGPCNDG-GXTWGEPZSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1CC[C@@H]([N@H+]2C[C@@H]3[C@H](C2)C3(C)C)C[NH2+]1 ZINC000399064670 958498385 /nfs/dbraw/zinc/49/83/85/958498385.db2.gz BBPHQTBGUNTZJG-KKOKHZNYSA-N 2 0 208.349 1.715 20 0 BDADRP C[C@H](Cc1ccccn1)[NH2+]CCCC[NH+](C)C ZINC000690746113 959206910 /nfs/dbraw/zinc/20/69/10/959206910.db2.gz CZGKPICBUQJRCC-CYBMUJFWSA-N 2 0 235.375 1.944 20 0 BDADRP CC[NH+](CC)C1CCN(C(=O)CCC[NH3+])CC1 ZINC000037827359 960806732 /nfs/dbraw/zinc/80/67/32/960806732.db2.gz WGXBTIQKSQPCQH-UHFFFAOYSA-N 2 0 241.379 1.058 20 0 BDADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)C(C)(C)C ZINC001142781852 961742543 /nfs/dbraw/zinc/74/25/43/961742543.db2.gz SGVUGZWDFABAQK-UHFFFAOYSA-N 2 0 242.367 1.096 20 0 BDADRP N=C(Nc1cc2[nH]ccc2c[nH+]1)SCC[NH3+] ZINC001157129287 963535885 /nfs/dbraw/zinc/53/58/85/963535885.db2.gz WARWBUPWFWZHIY-UHFFFAOYSA-N 2 0 235.316 1.601 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC(F)(F)C[C@@H]1C ZINC000697562369 964321489 /nfs/dbraw/zinc/32/14/89/964321489.db2.gz SPEFXJSNRZBWRG-VWYCJHECSA-N 2 0 232.318 1.962 20 0 BDADRP C[NH+](C)C1CCC([NH2+]C2(CO)CCCC2)CC1 ZINC001168297596 964393221 /nfs/dbraw/zinc/39/32/21/964393221.db2.gz FWCKGQRWLPXPMZ-UHFFFAOYSA-N 2 0 240.391 1.754 20 0 BDADRP CC[N@H+](CCOC)C1CCC([NH+](C)C)CC1 ZINC001168315769 964422813 /nfs/dbraw/zinc/42/28/13/964422813.db2.gz OBIHSYMSFWPGMF-UHFFFAOYSA-N 2 0 228.380 1.828 20 0 BDADRP C[C@@H](CC[NH2+]CC[C@@H]1CCOC1)[NH+](C)C ZINC000697874491 964600624 /nfs/dbraw/zinc/60/06/24/964600624.db2.gz ZHGVEVUPQNSRKQ-NWDGAFQWSA-N 2 0 214.353 1.343 20 0 BDADRP C[C@H]1c2cccn2CC[N@H+]1CCCC[NH3+] ZINC001235962664 966186021 /nfs/dbraw/zinc/18/60/21/966186021.db2.gz OVXQOPAJQZPWPH-NSHDSACASA-N 2 0 207.321 1.604 20 0 BDADRP Cc1coc(CN2C[C@H](C)[C@H](C[NH3+])C2)n1 ZINC001205151502 967393694 /nfs/dbraw/zinc/39/36/94/967393694.db2.gz VSFFAQFSZKBTIM-WCBMZHEXSA-N 2 0 209.293 1.010 20 0 BDADRP [NH3+]C[C@H]1C[N@H+](CCCCCO)CCC1(F)F ZINC001205734713 967810112 /nfs/dbraw/zinc/81/01/12/967810112.db2.gz GXUMOXLAEUVUEN-JTQLQIEISA-N 2 0 236.306 1.065 20 0 BDADRP CCN(CCC[NH+](C)C)CC(C)(C)C[NH+](C)C ZINC001207289010 968716271 /nfs/dbraw/zinc/71/62/71/968716271.db2.gz YIMUOMUMFPKHSN-UHFFFAOYSA-N 2 0 243.439 1.848 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CC[C@H](O)[C@@H](F)CC2)CC1 ZINC001207391957 968745720 /nfs/dbraw/zinc/74/57/20/968745720.db2.gz RPKRTYKEKUNYIB-STQMWFEESA-N 2 0 244.354 1.123 20 0 BDADRP CCC[C@@H](O)C[NH2+]CCCC1CC[NH+](C)CC1 ZINC001252804979 968990044 /nfs/dbraw/zinc/99/00/44/968990044.db2.gz AZRVZHHVZMDSIC-CQSZACIVSA-N 2 0 242.407 1.859 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC001208593593 969151010 /nfs/dbraw/zinc/15/10/10/969151010.db2.gz XLYVICCCAXEHBD-ZDUSSCGKSA-N 2 0 240.391 1.829 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH+]2CCC(F)CC2)C1 ZINC001208604498 969155654 /nfs/dbraw/zinc/15/56/54/969155654.db2.gz PIDXYPMOBBRYKF-NSHDSACASA-N 2 0 214.328 1.762 20 0 BDADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C[Si](C)(C)C ZINC001253406588 969161778 /nfs/dbraw/zinc/16/17/78/969161778.db2.gz QVFRYFHIHAJOCO-JTQLQIEISA-N 2 0 232.444 1.202 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CCC[NH+](C)C2)CCC[C@@H]1O ZINC001208608695 969164059 /nfs/dbraw/zinc/16/40/59/969164059.db2.gz VSDCXUYWWTWFSS-RDBSUJKOSA-N 2 0 240.391 1.421 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH+]2CC3CC(C3)C2)C1 ZINC001208616727 969168982 /nfs/dbraw/zinc/16/89/82/969168982.db2.gz LIWPDZQKQZYSQB-PNESKVBLSA-N 2 0 208.349 1.670 20 0 BDADRP CC[C@H]1C[C@H]([N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)CCO1 ZINC000723472272 969318923 /nfs/dbraw/zinc/31/89/23/969318923.db2.gz YHDAQAKEAQWODJ-WISYIIOYSA-N 2 0 212.337 1.223 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C(C)(C)CCO)C2 ZINC001169090632 969408232 /nfs/dbraw/zinc/40/82/32/969408232.db2.gz JVZVXEGJBSMFFP-CNDDSTCGSA-N 2 0 226.364 1.362 20 0 BDADRP CC[NH+]1C[C@@H]2C[NH+]([C@H]3CCCOC3)C[C@H]2C1 ZINC001254387173 969602992 /nfs/dbraw/zinc/60/29/92/969602992.db2.gz GAFSOMOHYBUBIX-UPJWGTAASA-N 2 0 224.348 1.049 20 0 BDADRP COC[C@H]1CCCC[N@@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254515692 969692882 /nfs/dbraw/zinc/69/28/82/969692882.db2.gz AYJLHBLYEUEKEZ-UONOGXRCSA-N 2 0 240.391 1.972 20 0 BDADRP C[C@@H]1C[N@@H+]([C@@H]2CCC[NH+](C)CC2)CC[C@]1(C)O ZINC001254517356 969697425 /nfs/dbraw/zinc/69/74/25/969697425.db2.gz UXIGIIGPTNEAEO-MCIONIFRSA-N 2 0 240.391 1.564 20 0 BDADRP CN(C1CC[NH+](C)CC1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254517047 969701306 /nfs/dbraw/zinc/70/13/06/969701306.db2.gz RLVPCNGHUKPVOA-CYBMUJFWSA-N 2 0 239.407 1.497 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH+]2CC3CC(C3)C2)CC1 ZINC001254530767 969717658 /nfs/dbraw/zinc/71/76/58/969717658.db2.gz HDKABADKUJVJOM-WXRRBKDZSA-N 2 0 208.349 1.813 20 0 BDADRP C[N@@H+]1CCN([C@H]2CCC[NH+](C)CC2)CC1(C)C ZINC001254525747 969722331 /nfs/dbraw/zinc/72/23/31/969722331.db2.gz LUJHUKDNRFOLFV-ZDUSSCGKSA-N 2 0 239.407 1.497 20 0 BDADRP [NH3+]CCCC[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000723634709 969792381 /nfs/dbraw/zinc/79/23/81/969792381.db2.gz VKOIEPHMSSLFMY-JHJVBQTASA-N 2 0 226.364 1.520 20 0 BDADRP CN1CC[C@@H]([NH2+]C2CCC(C[NH+](C)C)CC2)C1 ZINC001255426480 970150298 /nfs/dbraw/zinc/15/02/98/970150298.db2.gz NEQAANROXGVPQD-JXQTWKCFSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@H]([NH3+])c1nccn1[C@H]1CCC[N@H+](C)C1 ZINC001255466198 970195682 /nfs/dbraw/zinc/19/56/82/970195682.db2.gz IYDRKRMTTOCQGP-UWVGGRQHSA-N 2 0 208.309 1.170 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N1CCC[C@H]1C[NH3+] ZINC001255945300 970577651 /nfs/dbraw/zinc/57/76/51/970577651.db2.gz JMNSOPVFSWXDJP-STQMWFEESA-N 2 0 227.396 1.530 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]C[C@H]1CC[C@H](O)C1 ZINC001255941877 970578812 /nfs/dbraw/zinc/57/88/12/970578812.db2.gz YSQGEMJRMMKJCW-IHRRRGAJSA-N 2 0 242.407 1.857 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]C[C@H](C)CO ZINC001255942263 970578989 /nfs/dbraw/zinc/57/89/89/970578989.db2.gz DXKUVHUAXIYTJV-NWDGAFQWSA-N 2 0 216.369 1.325 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N1CCC[C@H]([NH3+])C1 ZINC001255942036 970579335 /nfs/dbraw/zinc/57/93/35/970579335.db2.gz BHCZZPPUEVEBGN-STQMWFEESA-N 2 0 227.396 1.530 20 0 BDADRP CC[NH+](CC)CC[C@H](C)NC[C@@H](C)C[NH3+] ZINC001255949986 970581907 /nfs/dbraw/zinc/58/19/07/970581907.db2.gz DLTPTNKSCYLQCR-RYUDHWBXSA-N 2 0 215.385 1.291 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@@](C)(O)C1 ZINC001255955558 970583880 /nfs/dbraw/zinc/58/38/80/970583880.db2.gz BSBVIUAGJMYAGG-QWHCGFSZSA-N 2 0 228.380 1.564 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]C1(CO)CCC1 ZINC001255950268 970584534 /nfs/dbraw/zinc/58/45/34/970584534.db2.gz GOFXCSGFVUUSAF-GFCCVEGCSA-N 2 0 228.380 1.611 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N1CC([NH+](C)C)C1 ZINC001255956798 970594584 /nfs/dbraw/zinc/59/45/84/970594584.db2.gz MKWPJIBWQABPQP-LBPRGKRZSA-N 2 0 227.396 1.353 20 0 BDADRP CC[NH+](CC)C1CCC(N(C)OCC[NH3+])CC1 ZINC001173105037 975023533 /nfs/dbraw/zinc/02/35/33/975023533.db2.gz YWJOPBDAXNEZKX-UHFFFAOYSA-N 2 0 243.395 1.462 20 0 BDADRP CCN1CC[C@H]([NH2+][C@H]2CCN(CC(C)C)C2)C1 ZINC001173353641 975307570 /nfs/dbraw/zinc/30/75/70/975307570.db2.gz QAEZCBPUICXOON-KBPBESRZSA-N 2 0 239.407 1.401 20 0 BDADRP CCOC(=O)C[C@H]1CC[C@@H]([NH2+]CCCC[NH3+])C1 ZINC001173620381 975490843 /nfs/dbraw/zinc/49/08/43/975490843.db2.gz GSEJJTPAVDTOGN-NWDGAFQWSA-N 2 0 242.363 1.437 20 0 BDADRP COC1(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)CCC1 ZINC001333338612 975678569 /nfs/dbraw/zinc/67/85/69/975678569.db2.gz QVGWSDFWLAVVCJ-GFCCVEGCSA-N 2 0 238.375 1.629 20 0 BDADRP CN(C(=O)CCCC[NH3+])C1(C[NH3+])CCCCC1 ZINC001333695185 976004801 /nfs/dbraw/zinc/00/48/01/976004801.db2.gz BOCOSMVEIBFHDM-UHFFFAOYSA-N 2 0 241.379 1.235 20 0 BDADRP C[C@H](O)[C@H](C)[NH2+]CCN1CCCC1(C)C ZINC001338522083 978702126 /nfs/dbraw/zinc/70/21/26/978702126.db2.gz SJUFGNIKEZVGOS-QWRGUYRKSA-N 2 0 214.353 1.220 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)N1CCC(C)([NH3+])CC1 ZINC001340283221 979002840 /nfs/dbraw/zinc/00/28/40/979002840.db2.gz VRSUWGPOTIYTDQ-NSHDSACASA-N 2 0 241.379 1.090 20 0 BDADRP Cc1nc(C2CC[NH+](CCCC[NH3+])CC2)no1 ZINC001235725253 979133909 /nfs/dbraw/zinc/13/39/09/979133909.db2.gz UYKYMDUILNSMOU-UHFFFAOYSA-N 2 0 238.335 1.296 20 0 BDADRP CC[C@@H]1C[NH2+]CCN1CC[C@H]1CCCC[NH2+]1 ZINC001235769642 979144073 /nfs/dbraw/zinc/14/40/73/979144073.db2.gz SFLAYEMQKZNMKI-CHWSQXEVSA-N 2 0 225.380 1.202 20 0 BDADRP CC[NH+]1CCC(C[NH2+]C[C@H](CO)C(C)C)CC1 ZINC001181574594 979161551 /nfs/dbraw/zinc/16/15/51/979161551.db2.gz ATBGZLNTVZCWDR-CQSZACIVSA-N 2 0 242.407 1.572 20 0 BDADRP C[C@H]1C[C@@H]([NH3+])CN(CC2(C)CC[NH2+]CC2)C1 ZINC001236046005 979343157 /nfs/dbraw/zinc/34/31/57/979343157.db2.gz ZSDFVDDDKPSUKJ-NWDGAFQWSA-N 2 0 225.380 1.045 20 0 BDADRP C(C1C[NH2+]C1)N([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236647130 979688132 /nfs/dbraw/zinc/68/81/32/979688132.db2.gz KIAFCKRHERMFLE-AWEZNQCLSA-N 2 0 237.391 1.202 20 0 BDADRP C[N@@H+]1CCC[C@H](CN2CCC[C@](C)([NH3+])CC2)C1 ZINC001205254866 979730623 /nfs/dbraw/zinc/73/06/23/979730623.db2.gz CYEKORMZQNZYEX-KBPBESRZSA-N 2 0 239.407 1.532 20 0 BDADRP [NH3+]CCCCCN(C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237142806 979821949 /nfs/dbraw/zinc/82/19/49/979821949.db2.gz BXNODBLMBXHMOI-AWEZNQCLSA-N 2 0 239.407 1.722 20 0 BDADRP CC(C)(C)COC(=O)NCCC[NH2+]CCC[NH3+] ZINC001239325486 980532906 /nfs/dbraw/zinc/53/29/06/980532906.db2.gz SYEMAILNEBGHDJ-UHFFFAOYSA-N 2 0 245.367 1.087 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccncc1C ZINC001348446856 981364715 /nfs/dbraw/zinc/36/47/15/981364715.db2.gz KPFAFNSVMKQSDL-SNVBAGLBSA-N 2 0 207.321 1.335 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)NC(=O)[C@H]([NH3+])C(C)C ZINC001356115889 983573837 /nfs/dbraw/zinc/57/38/37/983573837.db2.gz AXPBCZHOKWPMMN-VXGBXAGGSA-N 2 0 243.395 1.206 20 0 BDADRP CCc1nc(C)c(CN2CC(C)([NH+](C)C)C2)[nH]1 ZINC001203247146 983576545 /nfs/dbraw/zinc/57/65/45/983576545.db2.gz SSIDGOGMHFMQBD-UHFFFAOYSA-N 2 0 236.363 1.416 20 0 BDADRP CN(C(=O)C[C@H]([NH3+])C(C)(C)C)C1(C[NH3+])CCC1 ZINC001357473846 983727106 /nfs/dbraw/zinc/72/71/06/983727106.db2.gz HWNIXMJTEXSSDB-JTQLQIEISA-N 2 0 241.379 1.090 20 0 BDADRP CCC[C@H](O)C[NH2+]CCC1CC[NH+](C)CC1 ZINC001252771773 983874840 /nfs/dbraw/zinc/87/48/40/983874840.db2.gz UIWPJFBGAMWOEJ-ZDUSSCGKSA-N 2 0 228.380 1.469 20 0 BDADRP C1C[C@H]2C[C@@H]([NH2+][C@@H]3CCC[NH2+]CC3)[C@@H]1O2 ZINC001574801205 984116807 /nfs/dbraw/zinc/11/68/07/984116807.db2.gz OPPZYWNSAKWPPV-WRWGMCAJSA-N 2 0 210.321 1.038 20 0 BDADRP CCOCC[C@H](C)[NH+]1C[C@H]2C[NH+](CC)C[C@@H]2C1 ZINC001172430614 974713735 /nfs/dbraw/zinc/71/37/35/974713735.db2.gz HVANLNBWCSDLOG-BFHYXJOUSA-N 2 0 240.391 1.685 20 0 BDADRP CC(C)OCC[C@@H](C)[NH2+]C1(C[NH3+])CC1 ZINC001172443705 974805355 /nfs/dbraw/zinc/80/53/55/974805355.db2.gz HFUVWBFVUZDVAO-SNVBAGLBSA-N 2 0 200.326 1.271 20 0 BDADRP CN1CC[C@H]([N@@H+]2CCC[C@@](C)(C[NH3+])CC2)C1 ZINC001246571327 972851264 /nfs/dbraw/zinc/85/12/64/972851264.db2.gz BEZMXSIUPLVSPE-QWHCGFSZSA-N 2 0 225.380 1.141 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@](C)(C[NH3+])CC2)CC[NH2+]1 ZINC001246579275 972917663 /nfs/dbraw/zinc/91/76/63/972917663.db2.gz UAQNBBQHRXTQQA-MGPQQGTHSA-N 3 0 239.407 1.578 20 0 BDADRP CC[NH2+]C1CCN([C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246800621 973102415 /nfs/dbraw/zinc/10/24/15/973102415.db2.gz GAMQZHIVQGYJPV-DGCLKSJQSA-N 2 0 225.380 1.201 20 0 BDADRP CCOC1CCC([NH2+][C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC001256436501 970839681 /nfs/dbraw/zinc/83/96/81/970839681.db2.gz IFNZVCHKZBOTGC-IFWUJCSASA-N 2 0 226.364 1.804 20 0 BDADRP CC(C)(C)[NH+]1CCC(NC2(C[NH3+])CC2)CC1 ZINC001256566634 970863421 /nfs/dbraw/zinc/86/34/21/970863421.db2.gz NUEJGQFKQTXESF-UHFFFAOYSA-N 2 0 225.380 1.330 20 0 BDADRP CC(C)N(CCC[NH3+])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256614486 970878879 /nfs/dbraw/zinc/87/88/79/970878879.db2.gz WLXFEHIUCRCNHE-PBWFPOADSA-N 2 0 239.407 1.671 20 0 BDADRP COC[C@@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001256622307 970888807 /nfs/dbraw/zinc/88/88/07/970888807.db2.gz HDVTWVTYNWWWPY-HABKJSAYSA-N 2 0 238.375 1.580 20 0 BDADRP C[C@H](C[NH3+])C[N@H+](C)[C@@H](C)Cc1ccncc1 ZINC001256726729 970948127 /nfs/dbraw/zinc/94/81/27/970948127.db2.gz BLLOASLMTXXPHI-NEPJUHHUSA-N 2 0 221.348 1.539 20 0 BDADRP NCC1([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256856784 970996875 /nfs/dbraw/zinc/99/68/75/970996875.db2.gz RKNUXFRHHCACLA-UHFFFAOYSA-N 2 0 246.358 1.131 20 0 BDADRP CCC1CCC([NH2+]CCOCC[NH3+])CC1 ZINC001256866512 971000705 /nfs/dbraw/zinc/00/07/05/971000705.db2.gz ZJJLDEBWZGOUKL-UHFFFAOYSA-N 2 0 214.353 1.520 20 0 BDADRP [NH3+]Cc1cnnn1[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256901225 971015815 /nfs/dbraw/zinc/01/58/15/971015815.db2.gz FJFDAXLIMHFCHZ-GFCCVEGCSA-N 2 0 249.362 1.316 20 0 BDADRP [NH3+]C1CC(N[C@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256904864 971020784 /nfs/dbraw/zinc/02/07/84/971020784.db2.gz NIFKHYFXVVUBDM-CPCZMJQVSA-N 2 0 237.391 1.473 20 0 BDADRP CC(C)N(c1cc(N)cc[nH+]1)[C@H]1CC[NH2+]C1 ZINC001158023166 971021842 /nfs/dbraw/zinc/02/18/42/971021842.db2.gz UOBFORGPENWGQA-NSHDSACASA-N 2 0 220.320 1.241 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@]2(C)CCOC2)CC1 ZINC001257213377 971124233 /nfs/dbraw/zinc/12/42/33/971124233.db2.gz LRBRXYONUJOJHO-CYBMUJFWSA-N 2 0 226.364 1.628 20 0 BDADRP CC(C)[NH+]1CCC(n2ccc(C[NH3+])cc2=N)CC1 ZINC001257205097 971124954 /nfs/dbraw/zinc/12/49/54/971124954.db2.gz FZHQFHZSZHXZJA-UHFFFAOYSA-N 2 0 248.374 1.472 20 0 BDADRP CC(C)[NH+]1CCC(n2ccnc2C(N)=[NH2+])CC1 ZINC001257206388 971130029 /nfs/dbraw/zinc/13/00/29/971130029.db2.gz XEDVKHYFVKHCOV-UHFFFAOYSA-N 2 0 235.335 1.212 20 0 BDADRP CCC[C@@H](CC)[NH+]1CCN(CCC[NH3+])CC1 ZINC001257246943 971141500 /nfs/dbraw/zinc/14/15/00/971141500.db2.gz GVVNDJCBVDXPIA-CYBMUJFWSA-N 2 0 227.396 1.532 20 0 BDADRP CCc1cc(NCC2C[NH+](C)C2)cc[nH+]1 ZINC000307772057 971174784 /nfs/dbraw/zinc/17/47/84/971174784.db2.gz OSXGKKRFECXVBT-UHFFFAOYSA-N 2 0 205.305 1.618 20 0 BDADRP C[C@H](Nc1c[nH+]cc2cc[nH]c21)[C@@H]1C[NH2+]CCO1 ZINC001170568978 971204832 /nfs/dbraw/zinc/20/48/32/971204832.db2.gz QHPLMEZQTGIUIG-CABZTGNLSA-N 2 0 246.314 1.352 20 0 BDADRP C[NH+](C)C1(CN[C@H]2C[C@@H]([NH3+])C23CCC3)CCC1 ZINC000405196347 971205529 /nfs/dbraw/zinc/20/55/29/971205529.db2.gz AOIWOEPMNRLOPN-NEPJUHHUSA-N 2 0 237.391 1.330 20 0 BDADRP CCC[C@H](O)C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405203089 971206599 /nfs/dbraw/zinc/20/65/99/971206599.db2.gz BVCXZJCYAIZGIE-AXFHLTTASA-N 2 0 212.337 1.007 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405247289 971218538 /nfs/dbraw/zinc/21/85/38/971218538.db2.gz DGJVOYGMPNQOOX-STQMWFEESA-N 2 0 239.407 1.576 20 0 BDADRP c1cc2c[nH+]c(N3CC[N@H+]4CC[C@H]4C3)cc2[nH]1 ZINC001158422468 971221664 /nfs/dbraw/zinc/22/16/64/971221664.db2.gz AXVHPRSKTILIST-NSHDSACASA-N 2 0 228.299 1.457 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405247286 971222983 /nfs/dbraw/zinc/22/29/83/971222983.db2.gz DGJVOYGMPNQOOX-CHWSQXEVSA-N 2 0 239.407 1.576 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2CCCS2)C12CCC2 ZINC000405321647 971235274 /nfs/dbraw/zinc/23/52/74/971235274.db2.gz VCWVGVLSSYPKBZ-MXWKQRLJSA-N 2 0 226.389 1.742 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC2CCOCC2)C12CCC2 ZINC000405346366 971242601 /nfs/dbraw/zinc/24/26/01/971242601.db2.gz LCLSJALXFUAKHE-VXGBXAGGSA-N 2 0 224.348 1.273 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CCCOCC2CC2)C12CCC2 ZINC000405358919 971243079 /nfs/dbraw/zinc/24/30/79/971243079.db2.gz SPIKCJCJDARERQ-OLZOCXBDSA-N 2 0 238.375 1.663 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405344098 971243459 /nfs/dbraw/zinc/24/34/59/971243459.db2.gz JXZZSHILTZYLSX-YNEHKIRRSA-N 2 0 239.407 1.576 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CC2CC(F)(F)C2)C12CCC2 ZINC000405395276 971247637 /nfs/dbraw/zinc/24/76/37/971247637.db2.gz ICIPWUUYMQSTPJ-ZJUUUORDSA-N 2 0 230.302 1.891 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405372244 971245680 /nfs/dbraw/zinc/24/56/80/971245680.db2.gz ZKDXYHSDCMIUEK-AVGNSLFASA-N 2 0 239.407 1.576 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CC[C@H]2CCOC2)C12CCC2 ZINC000405399938 971247916 /nfs/dbraw/zinc/24/79/16/971247916.db2.gz JTVADCMATZQRCM-TUAOUCFPSA-N 2 0 224.348 1.273 20 0 BDADRP CC(C)(CCO)C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405385069 971250635 /nfs/dbraw/zinc/25/06/35/971250635.db2.gz DWSUXMSBXFQULV-WDEREUQCSA-N 2 0 226.364 1.255 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405460560 971257244 /nfs/dbraw/zinc/25/72/44/971257244.db2.gz ZRDABPLESWMKLQ-WOPDTQHZSA-N 2 0 226.364 1.255 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CCC[C@H]2CCOC2)C12CCC2 ZINC000405440861 971255723 /nfs/dbraw/zinc/25/57/23/971255723.db2.gz DNYUYGGJSHZHFL-XQQFMLRXSA-N 2 0 238.375 1.663 20 0 BDADRP C[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)C1CC1 ZINC000405516192 971263565 /nfs/dbraw/zinc/26/35/65/971263565.db2.gz UQDIWTYDYVKRPT-YUSALJHKSA-N 2 0 208.349 1.892 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CO[C@@H](C)[C@H]1C)C[NH+](C)C ZINC000405608547 971282276 /nfs/dbraw/zinc/28/22/76/971282276.db2.gz OZPODCKHLJYYQF-WISYIIOYSA-N 2 0 214.353 1.197 20 0 BDADRP Cc1c[nH+]c(N2CC[N@@H+](C(C)C)[C@@H](C)C2)cc1N ZINC001158495603 971288439 /nfs/dbraw/zinc/28/84/39/971288439.db2.gz ZNXUSPJUGLWTCK-LBPRGKRZSA-N 2 0 248.374 1.891 20 0 BDADRP C[C@@]1([NH3+])CCN(CCOCc2ccccc2)C1 ZINC000405783106 971307913 /nfs/dbraw/zinc/30/79/13/971307913.db2.gz QCKPWMZIXDFKJD-CQSZACIVSA-N 2 0 234.343 1.626 20 0 BDADRP Cc1ccc(CN2CC[C@](C)([NH3+])C2)s1 ZINC000405782362 971308752 /nfs/dbraw/zinc/30/87/52/971308752.db2.gz HZNOENQNIJFTAF-NSHDSACASA-N 2 0 210.346 1.980 20 0 BDADRP CCCC[C@H](CC)[NH2+]CCN(C)CC[NH3+] ZINC001257413473 971309539 /nfs/dbraw/zinc/30/95/39/971309539.db2.gz WYNCTWAMVAMARV-LBPRGKRZSA-N 2 0 215.385 1.435 20 0 BDADRP C[C@@]1([NH3+])CCN(CCc2ccc3c(c2)CCO3)C1 ZINC000405912864 971320278 /nfs/dbraw/zinc/32/02/78/971320278.db2.gz ZALUNGLFLWODIP-OAHLLOKOSA-N 2 0 246.354 1.587 20 0 BDADRP CCOC(=O)CC1([NH3+])CC[NH+]([C@@H](C)CC)CC1 ZINC001257436199 971346493 /nfs/dbraw/zinc/34/64/93/971346493.db2.gz KEHLLEHBSWXMSD-NSHDSACASA-N 2 0 242.363 1.531 20 0 BDADRP CC[C@@H](C)[N@H+](CCC[NH+](C)C)CCC(=O)OC ZINC001257444433 971357546 /nfs/dbraw/zinc/35/75/46/971357546.db2.gz ISAAAMIRGKZBTJ-GFCCVEGCSA-N 2 0 244.379 1.602 20 0 BDADRP C[NH+]1C(C)(C)CC(N2CC[C@H]([NH3+])C2)CC1(C)C ZINC001171619866 974112107 /nfs/dbraw/zinc/11/21/07/974112107.db2.gz TVFYDBFBHXFJKO-NSHDSACASA-N 2 0 239.407 1.671 20 0 BDADRP F[C@@H]1CCC[NH2+]C[C@H]1OCC[C@H]1CCC[NH2+]C1 ZINC001217774161 971396761 /nfs/dbraw/zinc/39/67/61/971396761.db2.gz NGMJTHVNPZKKLP-JHJVBQTASA-N 2 0 244.354 1.483 20 0 BDADRP C[C@@H]1C[NH2+]CCC[C@H]1OC[C@@H]1COC(C)(C)[NH2+]1 ZINC001217782515 971404490 /nfs/dbraw/zinc/40/44/90/971404490.db2.gz VXBQVYGPEJSLGZ-IJLUTSLNSA-N 2 0 242.363 1.116 20 0 BDADRP F[C@H]1C[NH2+]C[C@H]1OCCCC1CC[NH2+]CC1 ZINC001217775425 971401225 /nfs/dbraw/zinc/40/12/25/971401225.db2.gz CNWCRRWXZDMKLM-NWDGAFQWSA-N 2 0 230.327 1.093 20 0 BDADRP C(CCC1CC[NH2+]CC1)CO[C@@H]1CC[NH2+]C1 ZINC001217788043 971407297 /nfs/dbraw/zinc/40/72/97/971407297.db2.gz ZGAURNSJQIUQBW-CYBMUJFWSA-N 2 0 226.364 1.535 20 0 BDADRP CC(C)[C@H]([NH3+])CO[C@H]1CCC[C@@]12CC[NH2+]C2 ZINC001217798496 971409765 /nfs/dbraw/zinc/40/97/65/971409765.db2.gz BJRPAMLIYWSWBF-AGIUHOORSA-N 2 0 226.364 1.519 20 0 BDADRP C(O[C@H]1CCC[C@@]12CC[NH2+]C2)[C@@H]1CCC[NH2+]1 ZINC001217799480 971412877 /nfs/dbraw/zinc/41/28/77/971412877.db2.gz DZNIFFNJTMEWGZ-AVGNSLFASA-N 2 0 224.348 1.287 20 0 BDADRP C(O[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21)[C@H]1CCC[NH2+]1 ZINC001217813920 971416304 /nfs/dbraw/zinc/41/63/04/971416304.db2.gz UIDDMSFVEMBPJS-FVCCEPFGSA-N 2 0 224.348 1.143 20 0 BDADRP C(CO[C@H]1[C@@H]2C[C@H]1C[NH2+]C2)C[C@H]1CCC[NH2+]C1 ZINC001217814887 971417132 /nfs/dbraw/zinc/41/71/32/971417132.db2.gz YBPBUYMDUAONAP-MQYQWHSLSA-N 2 0 238.375 1.391 20 0 BDADRP C(O[C@@H]1CC[C@@H]2CCC[C@H]1[NH2+]2)[C@H]1CC[NH2+]1 ZINC001217822336 971417749 /nfs/dbraw/zinc/41/77/49/971417749.db2.gz DLUVSLLAIFGGKH-IRCOFANPSA-N 2 0 210.321 1.038 20 0 BDADRP C(O[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCC[NH2+]C1 ZINC001217825228 971420932 /nfs/dbraw/zinc/42/09/32/971420932.db2.gz OZBSURWKHDSVOK-FVCCEPFGSA-N 2 0 224.348 1.286 20 0 BDADRP C(O[C@H]1CCC2(C[NH2+]C2)C1)[C@@H]1CCC[NH2+]C1 ZINC001217845695 971442271 /nfs/dbraw/zinc/44/22/71/971442271.db2.gz BWFOEJSFEMCQKN-NEPJUHHUSA-N 2 0 224.348 1.145 20 0 BDADRP CC(C)[NH+]1CCC(OC[C@@H]2CCC[NH2+]C2)CC1 ZINC001217856081 971448200 /nfs/dbraw/zinc/44/82/00/971448200.db2.gz FNHFAQYSJFSPSP-CYBMUJFWSA-N 2 0 240.391 1.875 20 0 BDADRP [NH3+]Cc1cccc(CO[C@H]2CCC[NH2+]C2)c1 ZINC001217861258 971455768 /nfs/dbraw/zinc/45/57/68/971455768.db2.gz ZWDATSVAKRLRIO-ZDUSSCGKSA-N 2 0 220.316 1.414 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]1OC[C@H]1CCC[NH2+]C1 ZINC001217877695 971471886 /nfs/dbraw/zinc/47/18/86/971471886.db2.gz BKUWWGAMLODDNV-NWDGAFQWSA-N 2 0 226.364 1.391 20 0 BDADRP C[C@@H]1[NH2+]C[C@H]1OCCC[C@@H]1CCC[NH2+]C1 ZINC001217909355 971509017 /nfs/dbraw/zinc/50/90/17/971509017.db2.gz SENICBDBGGGYIN-SDDRHHMPSA-N 2 0 212.337 1.143 20 0 BDADRP C(CO[C@H]1[C@@H]2CC[C@H]1[NH2+]C2)C[C@@H]1CCC[NH2+]C1 ZINC001217925235 971530582 /nfs/dbraw/zinc/53/05/82/971530582.db2.gz QJIGVQASKFCWDK-DGAVXFQQSA-N 2 0 238.375 1.533 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]C1CCC2(COC2)CC1 ZINC001257900637 971533099 /nfs/dbraw/zinc/53/30/99/971533099.db2.gz GVOBPJYXVRPAMK-JTQLQIEISA-N 2 0 212.337 1.130 20 0 BDADRP CC1(C)C[C@@H](OCCC2CC[NH2+]CC2)CC[NH2+]1 ZINC001217936002 971538197 /nfs/dbraw/zinc/53/81/97/971538197.db2.gz CCXUQTUHTUWVRT-ZDUSSCGKSA-N 2 0 240.391 1.923 20 0 BDADRP C[NH2+][C@H]1C[C@@H](Oc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001217956064 971544125 /nfs/dbraw/zinc/54/41/25/971544125.db2.gz HUKBBZHDZBTGQM-XBXGTLAGSA-N 2 0 232.327 1.462 20 0 BDADRP c1cc(O[C@H]2CCCC[NH2+]C2)cc2c1C[NH2+]C2 ZINC001217969823 971551485 /nfs/dbraw/zinc/55/14/85/971551485.db2.gz CWJYDUYVLDNOCS-AWEZNQCLSA-N 2 0 232.327 1.811 20 0 BDADRP CC(C)C[NH+]1CCC([NH2+]CC2COC2)CC1 ZINC001258001395 971551369 /nfs/dbraw/zinc/55/13/69/971551369.db2.gz PAFZGYJDEOSXHG-UHFFFAOYSA-N 2 0 226.364 1.343 20 0 BDADRP CC(C)C[NH+]1CCC(n2nncc2C[NH3+])CC1 ZINC001258003723 971554274 /nfs/dbraw/zinc/55/42/74/971554274.db2.gz RYRIGDDILBYYHP-UHFFFAOYSA-N 2 0 237.351 1.030 20 0 BDADRP c1cc(O[C@@H]2CCCC[NH2+]C2)cc2c1C[NH2+]C2 ZINC001217969824 971552153 /nfs/dbraw/zinc/55/21/53/971552153.db2.gz CWJYDUYVLDNOCS-CQSZACIVSA-N 2 0 232.327 1.811 20 0 BDADRP CC(C)C[NH+]1CCC(n2ccnc2C(N)=[NH2+])CC1 ZINC001258002997 971554817 /nfs/dbraw/zinc/55/48/17/971554817.db2.gz SPNAKKVQUARKDR-UHFFFAOYSA-N 2 0 249.362 1.460 20 0 BDADRP CC(C)C[NH+]1CCC([N@@H+]2CC[C@](C)(O)C2)CC1 ZINC001258013443 971555088 /nfs/dbraw/zinc/55/50/88/971555088.db2.gz RBYBDFQHJIUQPU-AWEZNQCLSA-N 2 0 240.391 1.564 20 0 BDADRP [NH3+]Cc1ccc(O[C@H]2CCCC[NH2+]C2)cc1 ZINC001217977553 971557997 /nfs/dbraw/zinc/55/79/97/971557997.db2.gz VLJGQYRADNYBDS-ZDUSSCGKSA-N 2 0 220.316 1.666 20 0 BDADRP c1cc(O[C@@H]2CCC[NH2+]CC2)nc2c1C[NH2+]CC2 ZINC001217997276 971565810 /nfs/dbraw/zinc/56/58/10/971565810.db2.gz RRRJMOMOPFLMHW-GFCCVEGCSA-N 2 0 247.342 1.248 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1Oc1cccc2c1CC[NH2+]C2 ZINC001218033390 971578272 /nfs/dbraw/zinc/57/82/72/971578272.db2.gz DRBIGPYYBWULPQ-QMTHXVAHSA-N 2 0 232.327 1.319 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1Oc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC001218035048 971579637 /nfs/dbraw/zinc/57/96/37/971579637.db2.gz CJXQQVUFIBBEKH-GJQVQUKXSA-N 2 0 232.327 1.488 20 0 BDADRP C[C@H]1C[C@H](Oc2cccc3c2CC[NH2+]C3)CC[NH2+]1 ZINC001218051143 971589416 /nfs/dbraw/zinc/58/94/16/971589416.db2.gz UWQIAAMODUZKGJ-WCQYABFASA-N 2 0 246.354 1.852 20 0 BDADRP C[C@H]1C[C@@H](Oc2cccc3c2C[NH2+]C3)CC[NH2+]1 ZINC001218059456 971594661 /nfs/dbraw/zinc/59/46/61/971594661.db2.gz JLAOAPQMFRQSHQ-JQWIXIFHSA-N 2 0 232.327 1.809 20 0 BDADRP C[C@@H]1C[C@H](Oc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C[NH2+]1 ZINC001218048320 971591733 /nfs/dbraw/zinc/59/17/33/971591733.db2.gz CIDULVWBIXEMPN-IGJVIKARSA-N 2 0 232.327 1.630 20 0 BDADRP F[C@H]1C[NH2+]CC[C@H]1Oc1cccc2c1C[NH2+]C2 ZINC001218069714 971592560 /nfs/dbraw/zinc/59/25/60/971592560.db2.gz JZTDENSPONGTGD-WCQYABFASA-N 2 0 236.290 1.369 20 0 BDADRP [NH3+]Cc1cccc(O[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001218185967 971620976 /nfs/dbraw/zinc/62/09/76/971620976.db2.gz KAGHIOIGQFMQCZ-IMRBUKKESA-N 2 0 232.327 1.807 20 0 BDADRP [NH3+]Cc1cccc(O[C@@H]2C[C@@H]3CC[NH2+][C@H]3C2)c1 ZINC001218251306 971651092 /nfs/dbraw/zinc/65/10/92/971651092.db2.gz SFRDGDFIQZDNLU-YUTCNCBUSA-N 2 0 232.327 1.665 20 0 BDADRP N[C@H]1CC[N@H+](CCC2CCOCC2)CC[C@@H]1F ZINC001206156802 974333554 /nfs/dbraw/zinc/33/35/54/974333554.db2.gz SXFZZEBAXJZJAX-STQMWFEESA-N 2 0 244.354 1.564 20 0 BDADRP CCC(=O)C(C)(C)C[N@@H+]1CC[C@H](N)[C@@H](F)CC1 ZINC001206156719 974333959 /nfs/dbraw/zinc/33/39/59/974333959.db2.gz SIBRLEPQOQWHRV-QWRGUYRKSA-N 2 0 244.354 1.753 20 0 BDADRP C[NH+](C)Cc1ccccc1O[C@@H]1CCC[NH2+]C1 ZINC001218283410 971677201 /nfs/dbraw/zinc/67/72/01/971677201.db2.gz IAEHUAWPXBDVTR-CYBMUJFWSA-N 2 0 234.343 1.879 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC1(C[NH3+])CC1)C2 ZINC001172110481 974372994 /nfs/dbraw/zinc/37/29/94/974372994.db2.gz NFMRPAYHOZOXOJ-ZSBIGDGJSA-N 2 0 223.364 1.083 20 0 BDADRP C[C@H](C[NH3+])CN(C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172119217 974385090 /nfs/dbraw/zinc/38/50/90/974385090.db2.gz WDSUHVXXQMHMSL-YIYPIFLZSA-N 2 0 239.407 1.528 20 0 BDADRP [NH3+]Cc1cccc(O[C@@H]2C[C@H]3C[NH2+]C[C@H]32)c1 ZINC001218330880 971714823 /nfs/dbraw/zinc/71/48/23/971714823.db2.gz OXLMVLWYZJIYGM-CYZMBNFOSA-N 2 0 218.300 1.132 20 0 BDADRP C[N@H+]1C[C@@H]2C[NH+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)C[C@@H]2C1 ZINC001170761620 971743416 /nfs/dbraw/zinc/74/34/16/971743416.db2.gz NURVXICRHSTWGG-RVOPOGNISA-N 2 0 234.387 1.914 20 0 BDADRP C[C@H]1[NH2+]C[C@H]1Oc1ccc2c(c1)C[NH2+]C2 ZINC001218382701 971761064 /nfs/dbraw/zinc/76/10/64/971761064.db2.gz DJKZDZXISOXEIP-PRHODGIISA-N 2 0 204.273 1.029 20 0 BDADRP [NH3+]Cc1ccccc1O[C@H]1C[NH2+]CCC12CC2 ZINC001218403759 971780082 /nfs/dbraw/zinc/78/00/82/971780082.db2.gz JVQRLUZORGYWON-ZDUSSCGKSA-N 2 0 232.327 1.666 20 0 BDADRP CC(C)[N@H+](CCC[NH3+])[C@H]1CCCOCC1 ZINC001170777326 971804423 /nfs/dbraw/zinc/80/44/23/971804423.db2.gz ZFMHHQOEHBXJFW-LBPRGKRZSA-N 2 0 214.353 1.615 20 0 BDADRP c1cc2c(c(O[C@@H]3CC[C@@H]4C[NH2+]C[C@H]34)c1)C[NH2+]C2 ZINC001218458806 971824418 /nfs/dbraw/zinc/82/44/18/971824418.db2.gz DJWJVEZUXOTIMI-OSAQELSMSA-N 2 0 244.338 1.667 20 0 BDADRP [NH3+]CC1(F)CC[NH+](CCC(F)(F)F)CC1 ZINC001222527665 972539991 /nfs/dbraw/zinc/53/99/91/972539991.db2.gz OKLXSMYMBRMHOL-UHFFFAOYSA-N 2 0 228.233 1.702 20 0 BDADRP c1cc2c(c(O[C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)c1)CC[NH2+]C2 ZINC001218475623 971827678 /nfs/dbraw/zinc/82/76/78/971827678.db2.gz QKHFQOOIURMIIW-NJZAAPMLSA-N 2 0 244.338 1.604 20 0 BDADRP CC(C)CC[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222526847 972543501 /nfs/dbraw/zinc/54/35/01/972543501.db2.gz GNMAGWGRYSVOQG-UHFFFAOYSA-N 2 0 202.317 1.795 20 0 BDADRP CC[N@H+](CCC[NH+](C)C)[C@@H]1COC(C)(C)C1 ZINC001172290535 974557276 /nfs/dbraw/zinc/55/72/76/974557276.db2.gz CZVAUYDMEIEFKF-LBPRGKRZSA-N 2 0 228.380 1.828 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+]([C@H]3CCCOCC3)C[C@@H]2C1 ZINC001170812982 971885282 /nfs/dbraw/zinc/88/52/82/971885282.db2.gz XWTBFFHBFILKHF-RDBSUJKOSA-N 2 0 238.375 1.439 20 0 BDADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1ccccc1 ZINC001218810905 971942344 /nfs/dbraw/zinc/94/23/44/971942344.db2.gz ZRXFBSNOXNOADP-LBPRGKRZSA-N 2 0 235.331 1.342 20 0 BDADRP CCn1cc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)cn1 ZINC000310308104 971969814 /nfs/dbraw/zinc/96/98/14/971969814.db2.gz VWVYKAQNGHPCGZ-LBPRGKRZSA-N 2 0 236.363 1.464 20 0 BDADRP CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@H+](C)CC ZINC001135860515 971984992 /nfs/dbraw/zinc/98/49/92/971984992.db2.gz CVYHYCBZLSPWOA-NWDGAFQWSA-N 2 0 243.395 1.221 20 0 BDADRP CC[C@@]([NH3+])(CO)Nc1cc[nH+]c(C2CC2)c1 ZINC001170866448 972004020 /nfs/dbraw/zinc/00/40/20/972004020.db2.gz SWGONKYWZLEAPB-LBPRGKRZSA-N 2 0 221.304 1.428 20 0 BDADRP C[C@@H]([NH3+])CCNc1cccc2c1C[NH2+]CC2 ZINC001170890692 972042234 /nfs/dbraw/zinc/04/22/34/972042234.db2.gz NFDPSYKZXABMDK-SNVBAGLBSA-N 2 0 219.332 1.482 20 0 BDADRP Cc1cc(N(C)C)nc(NCC[C@@H](C)[NH3+])[nH+]1 ZINC001170889660 972039591 /nfs/dbraw/zinc/03/95/91/972039591.db2.gz SWFIZXXEXCWPKQ-MRVPVSSYSA-N 2 0 223.324 1.000 20 0 BDADRP CC(C)CC[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000190759776 972053573 /nfs/dbraw/zinc/05/35/73/972053573.db2.gz ULYPAVJDNYRMPL-AWEZNQCLSA-N 2 0 242.407 1.859 20 0 BDADRP CNc1cc(Cl)cnc1N[C@H]([NH3+])CCC[NH3+] ZINC001170897569 972054712 /nfs/dbraw/zinc/05/47/12/972054712.db2.gz NUWNKOWRWYSEHB-VIFPVBQESA-N 2 0 243.742 1.212 20 0 BDADRP COc1cnc(Cl)cc1N[C@H]([NH3+])CCC[NH3+] ZINC001170897920 972054977 /nfs/dbraw/zinc/05/49/77/972054977.db2.gz QKTFGMWHNHKPTL-JTQLQIEISA-N 2 0 244.726 1.179 20 0 BDADRP CNc1cc(Cl)cnc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170897568 972056807 /nfs/dbraw/zinc/05/68/07/972056807.db2.gz NUWNKOWRWYSEHB-SECBINFHSA-N 2 0 243.742 1.212 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ncccc1-n1cccc1 ZINC001170897813 972057164 /nfs/dbraw/zinc/05/71/64/972057164.db2.gz KLNVHOVLQFJQJL-GFCCVEGCSA-N 2 0 245.330 1.308 20 0 BDADRP C[C@@H]1c2ccc(N[C@H]([NH3+])CCC[NH3+])cc2NC1=O ZINC001170899411 972062181 /nfs/dbraw/zinc/06/21/81/972062181.db2.gz JWFAOFDCZGPFJF-PELKAZGASA-N 2 0 248.330 1.178 20 0 BDADRP Cc1c2[nH+]c[nH]c2ccc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170899692 972061664 /nfs/dbraw/zinc/06/16/64/972061664.db2.gz LFMILMXVXKEKSU-LLVKDONJSA-N 3 0 233.319 1.307 20 0 BDADRP Nc1cc[nH+]c2cc(N[C@H]([NH3+])CCC[NH3+])ccc12 ZINC001170900396 972063040 /nfs/dbraw/zinc/06/30/40/972063040.db2.gz KWPRDPXSNPTZJM-ZDUSSCGKSA-N 3 0 245.330 1.253 20 0 BDADRP Cc1noc2ccc(N[C@H]([NH3+])CCC[NH3+])cc12 ZINC001170900453 972065596 /nfs/dbraw/zinc/06/55/96/972065596.db2.gz LKBPSYHIJOZRBD-LBPRGKRZSA-N 2 0 234.303 1.572 20 0 BDADRP C=Cc1ccccc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170900313 972066130 /nfs/dbraw/zinc/06/61/30/972066130.db2.gz RSFQYZLKEAYPOH-GFCCVEGCSA-N 2 0 205.305 1.765 20 0 BDADRP Cc1cncc(N[C@H]([NH3+])CCC[NH3+])c1C ZINC001170899760 972066230 /nfs/dbraw/zinc/06/62/30/972066230.db2.gz FFZXIRZZWOIASK-NSHDSACASA-N 2 0 208.309 1.134 20 0 BDADRP Cc1ncc(Cl)cc1N[C@H]([NH3+])CCC[NH3+] ZINC001170904738 972077679 /nfs/dbraw/zinc/07/76/79/972077679.db2.gz ONYTYVKTZYRXIL-JTQLQIEISA-N 2 0 228.727 1.479 20 0 BDADRP Cc1cc(N[C@@H]([NH3+])CCC[NH3+])ccc1N(C)C ZINC001170904831 972081451 /nfs/dbraw/zinc/08/14/51/972081451.db2.gz QIHBXGOGICPOCG-CYBMUJFWSA-N 2 0 236.363 1.497 20 0 BDADRP CCOCc1cncc(N[C@@H]([NH3+])CCC[NH3+])c1 ZINC001170905846 972082469 /nfs/dbraw/zinc/08/24/69/972082469.db2.gz WRGSRIMCOCBGDR-GFCCVEGCSA-N 2 0 238.335 1.054 20 0 BDADRP COc1ccc(Cl)c(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001159784586 972110462 /nfs/dbraw/zinc/11/04/62/972110462.db2.gz JNZMAEOTGFUXEU-QMMMGPOBSA-N 2 0 244.726 1.179 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc2cccnc2n1 ZINC001159784443 972110551 /nfs/dbraw/zinc/11/05/51/972110551.db2.gz IRIFIJGREGAPHZ-JTQLQIEISA-N 2 0 231.303 1.065 20 0 BDADRP CC(C)(C)c1ccnc(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001159784451 972111015 /nfs/dbraw/zinc/11/10/15/972111015.db2.gz ISUWJHXZWCWLJS-SNVBAGLBSA-N 2 0 237.351 1.210 20 0 BDADRP Cn1ccc2c1cc[nH+]c2N[C@H]([NH3+])CCC[NH3+] ZINC001159785634 972112441 /nfs/dbraw/zinc/11/24/41/972112441.db2.gz RGPWVHILWWIQOX-NSHDSACASA-N 3 0 233.319 1.009 20 0 BDADRP CCOC(=O)CC[C@@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC001246077022 972128407 /nfs/dbraw/zinc/12/84/07/972128407.db2.gz SOKVFEQBWAJUEW-LLVKDONJSA-N 2 0 242.363 1.579 20 0 BDADRP CC[N@@H+]1CC[C@H](NC[C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246079445 972134254 /nfs/dbraw/zinc/13/42/54/972134254.db2.gz FBKPHBFJRQBLID-XQQFMLRXSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H]1CCC[C@@H]([NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)C1 ZINC001246086005 972138221 /nfs/dbraw/zinc/13/82/21/972138221.db2.gz YSXJVMLXCDEMBV-FVCCEPFGSA-N 2 0 244.354 1.217 20 0 BDADRP Cc1ccc(C[NH3+])nc1N(C)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246089733 972142092 /nfs/dbraw/zinc/14/20/92/972142092.db2.gz SDUDSVDPTOXKOC-AAEUAGOBSA-N 2 0 248.374 1.425 20 0 BDADRP CSCC[C@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246088972 972143570 /nfs/dbraw/zinc/14/35/70/972143570.db2.gz AEWPCHUJWXOBQP-WDEREUQCSA-N 2 0 216.394 1.860 20 0 BDADRP CSCC[C@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001246097894 972151112 /nfs/dbraw/zinc/15/11/12/972151112.db2.gz INQSVYXRALCKPL-SRVKXCTJSA-N 2 0 230.421 1.963 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](C)[NH2+]C2)CCO1 ZINC001246098368 972154785 /nfs/dbraw/zinc/15/47/85/972154785.db2.gz PPJDXRWSWATPMG-IGQOVBAYSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H](Cc1cccnc1)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1C ZINC001246114136 972178112 /nfs/dbraw/zinc/17/81/12/972178112.db2.gz SPCNTAJWCACODM-GUTXKFCHSA-N 2 0 247.386 1.848 20 0 BDADRP C[C@H]1CC[NH2+]C[C@@H]1C[NH2+]C1CCOCC1 ZINC001246108599 972173036 /nfs/dbraw/zinc/17/30/36/972173036.db2.gz CMTNLGUSENBXIN-WDEREUQCSA-N 2 0 212.337 1.001 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+][C@H]2C)CCO1 ZINC001246108982 972173500 /nfs/dbraw/zinc/17/35/00/972173500.db2.gz IYKJCQZMVROWDN-WUHRBBMRSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1C[NH2+]C1Cc2ccccc2C1 ZINC001246109834 972175024 /nfs/dbraw/zinc/17/50/24/972175024.db2.gz HGAYLMCMFIDJAN-IUODEOHRSA-N 2 0 244.382 1.989 20 0 BDADRP [NH3+]C1CC(N[C@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246116772 972180395 /nfs/dbraw/zinc/18/03/95/972180395.db2.gz WUTBQXIPDNUWNM-CPCZMJQVSA-N 2 0 237.391 1.521 20 0 BDADRP C[C@H](Cc1ccccn1)[NH2+]C[C@@H]1CCC[NH2+][C@H]1C ZINC001246115385 972181892 /nfs/dbraw/zinc/18/18/92/972181892.db2.gz YPYJWTRUUDOVNE-RDBSUJKOSA-N 2 0 247.386 1.990 20 0 BDADRP CC[C@@H](C)C[C@H](C)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220240891 972184151 /nfs/dbraw/zinc/18/41/51/972184151.db2.gz QLWWHXMIOWVZQI-WOPDTQHZSA-N 2 0 243.395 1.384 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N[C@H]1C[NH2+]CC12CC2 ZINC001246130685 972188580 /nfs/dbraw/zinc/18/85/80/972188580.db2.gz JDWVHHABCCVPSJ-OLZOCXBDSA-N 2 0 239.407 1.448 20 0 BDADRP [NH3+]CC1([NH2+][C@H]2CCc3cccc(F)c3C2)CC1 ZINC001170973451 972196700 /nfs/dbraw/zinc/19/67/00/972196700.db2.gz CLFMLRZZEOTALA-NSHDSACASA-N 2 0 234.318 1.764 20 0 BDADRP CCCC[C@H]1C[C@@H](N[C@H]2C[NH2+]C[C@H]2F)CC[NH2+]1 ZINC001246187650 972211669 /nfs/dbraw/zinc/21/16/69/972211669.db2.gz VTVWROHYPLUBCO-RVMXOQNASA-N 2 0 243.370 1.197 20 0 BDADRP CCC1(NC(=O)[C@@H]([NH3+])CCC[NH3+])CCCCC1 ZINC001220337602 972210736 /nfs/dbraw/zinc/21/07/36/972210736.db2.gz VPISJAVTAVRELR-NSHDSACASA-N 2 0 241.379 1.282 20 0 BDADRP CC[C@@H]1C[C@@H](NC[C@H]2CC[NH2+]2)C[C@H](CC)[NH2+]1 ZINC001246192603 972214893 /nfs/dbraw/zinc/21/48/93/972214893.db2.gz IJIUAOXSBYWBPI-YVECIDJPSA-N 2 0 225.380 1.247 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N[C@H]2C[NH2+]CC[C@H]2F)CC[NH2+]1 ZINC001246217445 972218993 /nfs/dbraw/zinc/21/89/93/972218993.db2.gz JZJRQLMLBRJPPO-RNJOBUHISA-N 2 0 243.370 1.053 20 0 BDADRP Cc1c[nH+]c(NC[C@@H]2CCCC[NH2+]2)cc1N ZINC001160149901 972219304 /nfs/dbraw/zinc/21/93/04/972219304.db2.gz AGCZSNQHWNNMCO-JTQLQIEISA-N 2 0 220.320 1.526 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH+]2CC[C@@H](F)[C@@H](O)CC2)C1 ZINC001208607280 957090022 /nfs/dbraw/zinc/09/00/22/957090022.db2.gz LHTQJTXXEDVXMC-XQQFMLRXSA-N 2 0 244.354 1.123 20 0 BDADRP Cc1c[nH+]ccc1NC1=CC[N@H+](C)CC1 ZINC001208718815 957138630 /nfs/dbraw/zinc/13/86/30/957138630.db2.gz MTSZJKWIQZFLOE-UHFFFAOYSA-N 2 0 203.289 1.443 20 0 BDADRP CC/C=C\CC[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001208729544 957145282 /nfs/dbraw/zinc/14/52/82/957145282.db2.gz AVKVMKRGUHXESO-SIDSAAMKSA-N 2 0 208.349 1.836 20 0 BDADRP C[NH2+]CC[C@@H](C)NCC[C@@H]1CCCC[NH2+]1 ZINC001246243357 972248893 /nfs/dbraw/zinc/24/88/93/972248893.db2.gz IAHBIIZGOFBDTO-NEPJUHHUSA-N 2 0 213.369 1.106 20 0 BDADRP CCNCC[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246274568 972253432 /nfs/dbraw/zinc/25/34/32/972253432.db2.gz XQDCLHHQCSBWMF-UHFFFAOYSA-N 2 0 239.407 1.498 20 0 BDADRP COCCC[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001209053648 957307524 /nfs/dbraw/zinc/30/75/24/957307524.db2.gz NWWUWIHJTXSRNQ-UHFFFAOYSA-N 2 0 212.337 1.051 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H]2OC)C1 ZINC000692998894 957411253 /nfs/dbraw/zinc/41/12/53/957411253.db2.gz QCMFCTOMDORRBP-HZSPNIEDSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1C[C@H]1C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001209426954 957450632 /nfs/dbraw/zinc/45/06/32/957450632.db2.gz HAIBRSPHLRUTQB-NEPJUHHUSA-N 2 0 208.349 1.670 20 0 BDADRP CC[N@H+]1C[C@@H]2C[NH+](C[C@@H]3C[C@@H]3C)C[C@@H]2C1 ZINC001209428286 957451614 /nfs/dbraw/zinc/45/16/14/957451614.db2.gz RSVRKJFEQRTLNZ-ZDEQEGDKSA-N 2 0 208.349 1.526 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246308650 972269975 /nfs/dbraw/zinc/26/99/75/972269975.db2.gz HCARCSHMQYXAAG-MJBXVCDLSA-N 2 0 241.423 1.726 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H]1Cc2cccc(F)c2C1 ZINC001246307303 972270797 /nfs/dbraw/zinc/27/07/97/972270797.db2.gz WIUFENGXCXXDNH-GXSJLCMTSA-N 2 0 222.307 1.620 20 0 BDADRP CCOC(=O)C[C@@H]1CCC[N@H+](CCCC[NH3+])C1 ZINC001209856680 957546203 /nfs/dbraw/zinc/54/62/03/957546203.db2.gz MMZWFLAIMBLJJG-LBPRGKRZSA-N 2 0 242.363 1.391 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@H](C)Cc1cccc(OC)c1 ZINC001246313714 972274464 /nfs/dbraw/zinc/27/44/64/972274464.db2.gz KKIKGDMNJCXTIF-DGCLKSJQSA-N 2 0 236.359 1.953 20 0 BDADRP C[NH2+]CC[C@@H](C)[NH2+][C@@H]1CNc2ccccc2C1 ZINC001246317016 972274544 /nfs/dbraw/zinc/27/45/44/972274544.db2.gz PYMDMUGMNPJLNZ-YPMHNXCESA-N 2 0 233.359 1.611 20 0 BDADRP CC[C@H]([NH3+])C[NH2+]C1CCC(C)(C(=O)OC)CC1 ZINC001246313700 972274684 /nfs/dbraw/zinc/27/46/84/972274684.db2.gz KEERNXGOFAENEY-ZBOXLXRLSA-N 2 0 242.363 1.435 20 0 BDADRP CCCCC[C@H]([NH2+]C)C(=O)N[C@H]1CCC[NH2+]C1 ZINC001220889430 972274886 /nfs/dbraw/zinc/27/48/86/972274886.db2.gz KQUFCGSEJCGMEL-RYUDHWBXSA-N 2 0 241.379 1.023 20 0 BDADRP C[C@H]1C[C@H]([NH2+][C@@H]2COc3ccccc3C2)CC[NH2+]1 ZINC001246314506 972275361 /nfs/dbraw/zinc/27/53/61/972275361.db2.gz XSORXHYIYSLIIA-YUTCNCBUSA-N 2 0 246.354 1.720 20 0 BDADRP C[C@H]1CC[NH2+]C[C@@H]1N[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246323836 972286768 /nfs/dbraw/zinc/28/67/68/972286768.db2.gz CEMBTSOQRCXQRV-TUAOUCFPSA-N 2 0 225.380 1.105 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H]2C[C@H](OC)C2)CC1 ZINC001207000567 957736014 /nfs/dbraw/zinc/73/60/14/957736014.db2.gz YEPFFROCYXQQCT-JOCQHMNTSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1CCN(Cc2cccc(C[NH3+])c2)CC[NH2+]1 ZINC001210496131 957763053 /nfs/dbraw/zinc/76/30/53/957763053.db2.gz DXZZGCOMJYVGFB-GFCCVEGCSA-N 2 0 233.359 1.329 20 0 BDADRP CCCO[C@H]1CC[N@H+](CCCC[NH3+])C1 ZINC000706436318 957849726 /nfs/dbraw/zinc/84/97/26/957849726.db2.gz ZVHKTGKOTWHIBN-NSHDSACASA-N 2 0 200.326 1.226 20 0 BDADRP CCC[C@@H](CCO)[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC001246358447 972303578 /nfs/dbraw/zinc/30/35/78/972303578.db2.gz FFSMSIJLNXZKOP-SRVKXCTJSA-N 2 0 214.353 1.268 20 0 BDADRP CC(C)[PH+](CCNC(=O)[C@@H](C)C[NH3+])C(C)C ZINC001221254760 972307274 /nfs/dbraw/zinc/30/72/74/972307274.db2.gz SITGRGCCDKLLPN-NSHDSACASA-N 2 0 246.335 1.996 20 0 BDADRP Cc1cccc2c1CC[C@H]([NH2+][C@H]1CC13C[NH2+]C3)C2 ZINC001246443110 972315773 /nfs/dbraw/zinc/31/57/73/972315773.db2.gz FTAWLQSUEJKCQT-ZFWWWQNUSA-N 2 0 242.366 1.804 20 0 BDADRP Fc1cccc2c1C[C@@H]([NH2+][C@@H]1CC13C[NH2+]C3)CC2 ZINC001246448672 972317599 /nfs/dbraw/zinc/31/75/99/972317599.db2.gz ZRWGXJOXQBYDII-SMDDNHRTSA-N 2 0 246.329 1.635 20 0 BDADRP COc1ccc(N[C@@H]2CC[NH2+][C@@H](C)C2)cc1C[NH3+] ZINC001246454458 972323061 /nfs/dbraw/zinc/32/30/61/972323061.db2.gz UIIYRFJHVCPVAY-GXFFZTMASA-N 2 0 249.358 1.706 20 0 BDADRP COC1(C)CC[NH+]([C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000381089654 958302451 /nfs/dbraw/zinc/30/24/51/958302451.db2.gz USXPBUOLJIPYSE-RYUDHWBXSA-N 2 0 226.364 1.628 20 0 BDADRP C[C@@H]1CC[C@@H](NCCC[NH+]2CCCC2)C[NH2+]1 ZINC000399099069 958506243 /nfs/dbraw/zinc/50/62/43/958506243.db2.gz ZMWWDXNHDSIDIQ-CHWSQXEVSA-N 2 0 225.380 1.202 20 0 BDADRP CC[C@H]1CC(NCC2([NH3+])CCC2)C[C@H](CC)[NH2+]1 ZINC001246509912 972368767 /nfs/dbraw/zinc/36/87/67/972368767.db2.gz KPUOMGOGRQOFQT-RYUDHWBXSA-N 2 0 239.407 1.767 20 0 BDADRP CO[C@H]1CC[C@H]1[N@H+](C)CCC1CC[NH2+]CC1 ZINC000724153699 958742415 /nfs/dbraw/zinc/74/24/15/958742415.db2.gz SPPVRXJKCHZJSL-OLZOCXBDSA-N 2 0 226.364 1.485 20 0 BDADRP Cc1cc(C)[nH+]c(NCC2C[NH+](C)C2)c1 ZINC000707939760 958846591 /nfs/dbraw/zinc/84/65/91/958846591.db2.gz GOJJDGLVAHXAPM-UHFFFAOYSA-N 2 0 205.305 1.672 20 0 BDADRP C[C@@H]1C[N@H+](CC(C)(C)C[NH+](C)C)CC[C@@]1(C)O ZINC001207276454 958848471 /nfs/dbraw/zinc/84/84/71/958848471.db2.gz WWSPKQUPOVIIOX-TZMCWYRMSA-N 2 0 242.407 1.667 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCOCC23CCCC3)C1 ZINC000693586118 958889550 /nfs/dbraw/zinc/88/95/50/958889550.db2.gz RJHLSTQDYQDSTM-TXEJJXNPSA-N 2 0 224.348 1.369 20 0 BDADRP [NH3+]Cc1cccc(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC001327061101 972386596 /nfs/dbraw/zinc/38/65/96/972386596.db2.gz ZEDXCSXFRJRBEC-STQMWFEESA-N 2 0 247.342 1.601 20 0 BDADRP CSC[C@@H]1CCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000693618666 959010728 /nfs/dbraw/zinc/01/07/28/959010728.db2.gz XRKRHSURDKROJP-AXFHLTTASA-N 2 0 214.378 1.551 20 0 BDADRP C[C@H]([NH3+])c1ccc(-n2cccc2C[NH3+])cn1 ZINC001167600135 959021850 /nfs/dbraw/zinc/02/18/50/959021850.db2.gz HNIOUOMIGCCRRH-VIFPVBQESA-N 2 0 216.288 1.351 20 0 BDADRP [NH3+]CCCCC[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222237720 972421555 /nfs/dbraw/zinc/42/15/55/972421555.db2.gz QWAAYVBNHVNDQM-CYBMUJFWSA-N 3 0 225.380 1.333 20 0 BDADRP CC[N@H+](CCN[C@H]1C[C@@H]([NH3+])C12CCC2)C1CC1 ZINC000405238088 959421417 /nfs/dbraw/zinc/42/14/17/959421417.db2.gz UYTRTPBQJXOMAB-OLZOCXBDSA-N 2 0 237.391 1.330 20 0 BDADRP CC[N@H+](CCN[C@@H]1C[C@@H]([NH3+])C12CCC2)C1CC1 ZINC000405238087 959425031 /nfs/dbraw/zinc/42/50/31/959425031.db2.gz UYTRTPBQJXOMAB-CHWSQXEVSA-N 2 0 237.391 1.330 20 0 BDADRP [NH3+]CCCCC[N@@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222265491 972431878 /nfs/dbraw/zinc/43/18/78/972431878.db2.gz UQPGYWWHRZXRJU-AWEZNQCLSA-N 3 0 239.407 1.581 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222265313 972432940 /nfs/dbraw/zinc/43/29/40/972432940.db2.gz RAZJWCALNOALGM-ZDUSSCGKSA-N 3 0 225.380 1.191 20 0 BDADRP Cc1cc(-n2c(C)ncc(C[NH3+])c2=N)cc(C)[nH+]1 ZINC001167674632 959504250 /nfs/dbraw/zinc/50/42/50/959504250.db2.gz UKVSTOFIAQZOQT-UHFFFAOYSA-N 2 0 243.314 1.131 20 0 BDADRP [NH3+]C[C@@H]1CCCC[N@H+](C[C@@H]2CCOC2)C1 ZINC000308868044 959531965 /nfs/dbraw/zinc/53/19/65/959531965.db2.gz RHYYKOYQDLWTAL-RYUDHWBXSA-N 2 0 212.337 1.084 20 0 BDADRP F[C@@H]1CCC[NH2+]C[C@H]1OCC[C@@H]1CCC[NH2+]C1 ZINC001217774164 959585424 /nfs/dbraw/zinc/58/54/24/959585424.db2.gz NGMJTHVNPZKKLP-YNEHKIRRSA-N 2 0 244.354 1.483 20 0 BDADRP F[C@H]1CCC[NH2+]C[C@@H]1OCCC1CC[NH2+]CC1 ZINC001217776068 959586818 /nfs/dbraw/zinc/58/68/18/959586818.db2.gz XUYGECJKALDMLU-STQMWFEESA-N 2 0 244.354 1.483 20 0 BDADRP C[C@@H]1C[NH2+]CCC[C@@H]1OCC[C@H]1CCC[NH2+]C1 ZINC001217776075 959587225 /nfs/dbraw/zinc/58/72/25/959587225.db2.gz FHXXAHJJRKQGML-MCIONIFRSA-N 2 0 240.391 1.781 20 0 BDADRP [NH3+]Cc1ccc(CO[C@H]2CC[NH2+]C2)cc1 ZINC001217824141 959621476 /nfs/dbraw/zinc/62/14/76/959621476.db2.gz MQRHLZJFBZNYQX-LBPRGKRZSA-N 2 0 206.289 1.024 20 0 BDADRP CC[NH2+]CCN1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385792 972451248 /nfs/dbraw/zinc/45/12/48/972451248.db2.gz XARTYDBKOZLYND-CYBMUJFWSA-N 2 0 225.380 1.204 20 0 BDADRP C[C@H]1CC[C@H](OC[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001217914346 959749233 /nfs/dbraw/zinc/74/92/33/959749233.db2.gz YVOGAXODRBGOGZ-CYDGBPFRSA-N 2 0 226.364 1.661 20 0 BDADRP CNc1ccc(NC(=[NH2+])SCC[NH3+])cn1 ZINC001167913485 959764530 /nfs/dbraw/zinc/76/45/30/959764530.db2.gz AYBWZVRLEOJXAV-UHFFFAOYSA-N 2 0 225.321 1.162 20 0 BDADRP C1CC2(C1)CCC[C@@H]2[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246532527 972468605 /nfs/dbraw/zinc/46/86/05/972468605.db2.gz RIDGTEZYFUXRMR-STQMWFEESA-N 2 0 249.402 1.393 20 0 BDADRP C[C@@]1([NH3+])CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC001246532658 972469853 /nfs/dbraw/zinc/46/98/53/972469853.db2.gz XRONGCLOHDPSBZ-YVECIDJPSA-N 2 0 223.364 1.083 20 0 BDADRP C[C@H]1CC[C@H](Oc2cccc3c2C[NH2+]C3)C[NH2+]1 ZINC001218402821 960064939 /nfs/dbraw/zinc/06/49/39/960064939.db2.gz WJYAWNIBEDHEHH-JQWIXIFHSA-N 2 0 232.327 1.809 20 0 BDADRP C[C@H]1C[NH2+]CC[C@H]1Oc1ccc2c(c1)CC[NH2+]C2 ZINC001218412261 960067152 /nfs/dbraw/zinc/06/71/52/960067152.db2.gz BQQOHXCJUPXQSZ-XHDPSFHLSA-N 2 0 246.354 1.709 20 0 BDADRP CO[C@@H]1CCC[C@H]([N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)C1 ZINC000708889153 960077737 /nfs/dbraw/zinc/07/77/37/960077737.db2.gz GTKFGRFGRNNATL-QNWHQSFQSA-N 2 0 226.364 1.471 20 0 BDADRP C[C@H]1C[NH2+]CC[C@H]1Oc1ccc(CC[NH3+])cc1 ZINC001218420531 960082195 /nfs/dbraw/zinc/08/21/95/960082195.db2.gz TYFLQJBUVZPVEG-SMDDNHRTSA-N 2 0 234.343 1.565 20 0 BDADRP C[C@H]1CN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@H]1C[NH3+] ZINC000708888768 960083183 /nfs/dbraw/zinc/08/31/83/960083183.db2.gz JTQYIAWLINPYRS-IZXDZPFWSA-N 2 0 237.391 1.138 20 0 BDADRP C[C@H](CN[C@H](C)C1C[NH2+]C1)[NH+]1CCCCC1 ZINC000686221731 960213743 /nfs/dbraw/zinc/21/37/43/960213743.db2.gz XQSQJBUPNDVBCQ-VXGBXAGGSA-N 2 0 225.380 1.058 20 0 BDADRP OCCCCC[NH+]1CCC2(CCC[NH2+]C2)CC1 ZINC001222452225 972492384 /nfs/dbraw/zinc/49/23/84/972492384.db2.gz CSFPTQDFXFALST-UHFFFAOYSA-N 2 0 240.391 1.615 20 0 BDADRP [NH3+]CCCC[NH+]1CCC2(CCC[NH2+]C2)CC1 ZINC001222453180 972493047 /nfs/dbraw/zinc/49/30/47/972493047.db2.gz UGRXFGIEDNSFRG-UHFFFAOYSA-N 3 0 225.380 1.191 20 0 BDADRP [NH3+]CC1CC[NH+](CCC2CCOCC2)CC1 ZINC000309646252 960314218 /nfs/dbraw/zinc/31/42/18/960314218.db2.gz QJVVNEFIFWSDMK-UHFFFAOYSA-N 2 0 226.364 1.474 20 0 BDADRP CCCC(C[NH3+])(CCC)NC(=O)[C@H]([NH3+])C(C)C ZINC001221372189 960314774 /nfs/dbraw/zinc/31/47/74/960314774.db2.gz LTGISRAKOXCKCQ-LLVKDONJSA-N 2 0 243.395 1.384 20 0 BDADRP CC[NH+]1CCC(C[NH2+]C2CSC2)CC1 ZINC000396482419 960356780 /nfs/dbraw/zinc/35/67/80/960356780.db2.gz JUHBBCRRUDQTPU-UHFFFAOYSA-N 2 0 214.378 1.423 20 0 BDADRP C(CN1CC[C@@]2(CCC[NH2+]2)C1)[C@@H]1CCCC[NH2+]1 ZINC001222464882 972500848 /nfs/dbraw/zinc/50/08/48/972500848.db2.gz HDFWQURLGPBEMA-KBPBESRZSA-N 2 0 237.391 1.347 20 0 BDADRP C[N@@H+]1CC[C@H](C[NH2+][C@H]2COC(C)(C)C2)C1 ZINC000396802468 960405205 /nfs/dbraw/zinc/40/52/05/960405205.db2.gz JSCPWGNKGZBNON-GHMZBOCLSA-N 2 0 212.337 1.095 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC2CC(F)(F)C2)CC[NH2+]1 ZINC000709329911 960516720 /nfs/dbraw/zinc/51/67/20/960516720.db2.gz JJHJJQYAOOMECO-WCBMZHEXSA-N 2 0 218.291 1.762 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000709391238 960555066 /nfs/dbraw/zinc/55/50/66/960555066.db2.gz NIARZCJYSANXPL-HENWMNBSSA-N 2 0 224.348 1.427 20 0 BDADRP OC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCC1 ZINC000709392649 960555879 /nfs/dbraw/zinc/55/58/79/960555879.db2.gz QSSPYQSIXPPUFO-FOSCPWQOSA-N 2 0 224.348 1.164 20 0 BDADRP CC1(C)C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000709490970 960623206 /nfs/dbraw/zinc/62/32/06/960623206.db2.gz KMFIZCBHBNFGAP-FXJUQPSGSA-N 2 0 238.375 1.817 20 0 BDADRP CCC(CC)C[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222492337 972522641 /nfs/dbraw/zinc/52/26/41/972522641.db2.gz SSBIBAXHXZYXBU-KBPBESRZSA-N 2 0 239.407 1.448 20 0 BDADRP C[N@@H+](Cc1cnco1)CC1CC[NH+](C)CC1 ZINC001140932088 960700588 /nfs/dbraw/zinc/70/05/88/960700588.db2.gz ZYVIUFAGIUVHQK-UHFFFAOYSA-N 2 0 223.320 1.448 20 0 BDADRP CC[N@@H+]1CCC[C@@H](OC2CC[NH+](C)CC2)C1 ZINC001222504772 972527624 /nfs/dbraw/zinc/52/76/24/972527624.db2.gz ZCZLCIMGRJVZEU-CYBMUJFWSA-N 2 0 226.364 1.582 20 0 BDADRP C[NH+]1CCC(C[NH2+]C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000227612398 960774516 /nfs/dbraw/zinc/77/45/16/960774516.db2.gz ROHWITTWBLZJMX-ZIAGYGMSSA-N 2 0 240.391 1.469 20 0 BDADRP COC(C)(C)C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000709373690 961267286 /nfs/dbraw/zinc/26/72/86/961267286.db2.gz IFSNJOBTVSUFKV-ZJUUUORDSA-N 2 0 200.326 1.142 20 0 BDADRP C[NH+](C)CC(C)(C)CNc1cccc(N)[nH+]1 ZINC000087725769 961735356 /nfs/dbraw/zinc/73/53/56/961735356.db2.gz HMBCXWMAWFMRKL-UHFFFAOYSA-N 2 0 222.336 1.664 20 0 BDADRP N=C(Nc1[nH+]ccc2c1CCN2)SCC[NH3+] ZINC001167908941 961812229 /nfs/dbraw/zinc/81/22/29/961812229.db2.gz BRLKKXCYOJAYEP-UHFFFAOYSA-N 2 0 237.332 1.088 20 0 BDADRP CCOC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000710718661 962445151 /nfs/dbraw/zinc/44/51/51/962445151.db2.gz LVCDLFHBZIXEEY-FUNVUKJBSA-N 2 0 238.375 1.770 20 0 BDADRP C[NH+](C)[C@@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000710720051 962446297 /nfs/dbraw/zinc/44/62/97/962446297.db2.gz SNRKVYXFBANVTE-RBKKPWLPSA-N 2 0 237.391 1.295 20 0 BDADRP [NH3+][C@H]1CCC[N@@H+]([C@@H]2CCCC3(C2)OCCO3)C1 ZINC000712769362 962974880 /nfs/dbraw/zinc/97/48/80/962974880.db2.gz STYXGGIGLULXPZ-NWDGAFQWSA-N 2 0 240.347 1.095 20 0 BDADRP [NH3+][C@@H]1CCC[N@@H+]([C@@H]2CCCC3(C2)OCCO3)C1 ZINC000712769369 962975480 /nfs/dbraw/zinc/97/54/80/962975480.db2.gz STYXGGIGLULXPZ-VXGBXAGGSA-N 2 0 240.347 1.095 20 0 BDADRP Nc1cc[nH+]c(NC[C@]2(F)CCCC[NH2+]C2)c1 ZINC001155116037 962981217 /nfs/dbraw/zinc/98/12/17/962981217.db2.gz WKERHOHVFCJYGZ-LBPRGKRZSA-N 2 0 238.310 1.558 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@H](O)CC1CCCC1 ZINC000300029133 963033603 /nfs/dbraw/zinc/03/36/03/963033603.db2.gz LAHRMNJAYXJZCG-KWCYVHTRSA-N 2 0 240.391 1.739 20 0 BDADRP CCCC[N@H+](CCCO)CC1CC[NH+](C)CC1 ZINC000894474520 963044705 /nfs/dbraw/zinc/04/47/05/963044705.db2.gz KBMOGVLYLKIJMC-UHFFFAOYSA-N 2 0 242.407 1.813 20 0 BDADRP Cc1cnc(N[C@@]23CCC[C@@H]2[NH2+]CC3)c(C[NH3+])c1 ZINC001155402898 963068204 /nfs/dbraw/zinc/06/82/04/963068204.db2.gz GMJREJCKDZPEIX-GXTWGEPZSA-N 2 0 246.358 1.545 20 0 BDADRP Cc1cc(C)[nH+]c(NC[C@@]23C[NH2+][C@@H](CO2)C3)c1 ZINC001155537127 963106292 /nfs/dbraw/zinc/10/62/92/963106292.db2.gz AUMCFSBDPTZIFR-DGCLKSJQSA-N 2 0 233.315 1.241 20 0 BDADRP Cc1c[nH+]c(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)c(N)c1 ZINC001155586434 963117159 /nfs/dbraw/zinc/11/71/59/963117159.db2.gz SDNXTHHGXNCFMX-SCVCMEIPSA-N 2 0 232.331 1.382 20 0 BDADRP Cc1cnc(N(CCC[NH3+])C(C)C)c(C[NH3+])c1 ZINC001156123880 963261544 /nfs/dbraw/zinc/26/15/44/963261544.db2.gz CYVNNWZMUNLJHE-UHFFFAOYSA-N 2 0 236.363 1.412 20 0 BDADRP CN(C)c1cc[nH+]c(N(C)C2CC[NH2+]CC2)c1 ZINC001156172585 963273419 /nfs/dbraw/zinc/27/34/19/963273419.db2.gz RXFALJZVWYZGSV-UHFFFAOYSA-N 2 0 234.347 1.336 20 0 BDADRP C[NH+](C)[C@@H](CNC(=[NH2+])Nc1ccccc1)C1CC1 ZINC000066245683 963273853 /nfs/dbraw/zinc/27/38/53/963273853.db2.gz JSBUTSBLPXTWIH-ZDUSSCGKSA-N 2 0 246.358 1.963 20 0 BDADRP CC[N@@H+]1CCC[C@H](Oc2cc[nH+]c(N)c2)C1 ZINC001226654294 963277375 /nfs/dbraw/zinc/27/73/75/963277375.db2.gz XSMUGMDTOUJHMI-NSHDSACASA-N 2 0 221.304 1.527 20 0 BDADRP C[NH+]1CCC(CCN2CC[C@@](C)([NH3+])C2)CC1 ZINC001204762711 963367272 /nfs/dbraw/zinc/36/72/72/963367272.db2.gz BGNVKTYZZRWDIF-CYBMUJFWSA-N 2 0 225.380 1.141 20 0 BDADRP C[C@]1([NH3+])CCN(Cc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001204770323 963397187 /nfs/dbraw/zinc/39/71/87/963397187.db2.gz DETSHWWUFBBFRK-HNNXBMFYSA-N 2 0 245.370 1.255 20 0 BDADRP CC[NH+]1CCC(C[NH2+]C2(CO)CCC2)CC1 ZINC001204999994 963426649 /nfs/dbraw/zinc/42/66/49/963426649.db2.gz IKFMBGLFHFSMGQ-UHFFFAOYSA-N 2 0 226.364 1.223 20 0 BDADRP Cc1c[nH+]c(N(C)[C@]2(C)CCC[NH2+]C2)cc1N ZINC001156967536 963500905 /nfs/dbraw/zinc/50/09/05/963500905.db2.gz BAEQMSOCWVDHHC-CYBMUJFWSA-N 2 0 234.347 1.551 20 0 BDADRP [NH3+][C@H]1CCC[N@@H+]([C@H]2CCSC2)CC1 ZINC000725613765 963588107 /nfs/dbraw/zinc/58/81/07/963588107.db2.gz KCMZRXPOSZPQFR-UWVGGRQHSA-N 2 0 200.351 1.305 20 0 BDADRP CCC[N@H+](CCC[NH3+])[C@@H]1CCO[C@@H](C)C1 ZINC001168074092 963608466 /nfs/dbraw/zinc/60/84/66/963608466.db2.gz HCVJKZVKMHEISD-NWDGAFQWSA-N 2 0 214.353 1.615 20 0 BDADRP OCCC1CC[NH+](C[C@H]2CCCC[NH2+]C2)CC1 ZINC000697029331 963664038 /nfs/dbraw/zinc/66/40/38/963664038.db2.gz LZKLIHXDQNWPGN-AWEZNQCLSA-N 2 0 240.391 1.471 20 0 BDADRP Cc1cc2[nH]ccc2c(N2CC[C@](F)(C[NH3+])C2)[nH+]1 ZINC001157816624 963736050 /nfs/dbraw/zinc/73/60/50/963736050.db2.gz FBXUOEUPWUPGFX-ZDUSSCGKSA-N 2 0 248.305 1.748 20 0 BDADRP C[NH+](C)Cc1ccnc(N2CC[N@@H+]3CC[C@@H]3C2)c1 ZINC001158431094 963871657 /nfs/dbraw/zinc/87/16/57/963871657.db2.gz NJBLJNDJWBTFCN-CYBMUJFWSA-N 2 0 246.358 1.038 20 0 BDADRP Cc1c[nH+]c(NCC[C@H]2CCC[NH2+]2)cc1N ZINC001158626951 963895397 /nfs/dbraw/zinc/89/53/97/963895397.db2.gz MIGITKLICFGNLQ-SNVBAGLBSA-N 2 0 220.320 1.526 20 0 BDADRP COc1cc[nH+]c(N2CCC[C@@](C)(C[NH3+])C2)c1 ZINC001158673884 963900353 /nfs/dbraw/zinc/90/03/53/963900353.db2.gz NMLXGQKLLDXJND-ZDUSSCGKSA-N 2 0 235.331 1.655 20 0 BDADRP C[C@@]1(C[NH3+])CCCN(c2cccc(N)[nH+]2)C1 ZINC001158674891 963900779 /nfs/dbraw/zinc/90/07/79/963900779.db2.gz DNIMOMJBTIMXSW-LBPRGKRZSA-N 2 0 220.320 1.229 20 0 BDADRP CO[C@@H]1CN(c2cc3[nH]ccc3c(C)[nH+]2)C[C@@H]1[NH3+] ZINC001158711049 963905326 /nfs/dbraw/zinc/90/53/26/963905326.db2.gz LQPGGXYCONRGBO-CMPLNLGQSA-N 2 0 246.314 1.034 20 0 BDADRP Cc1ccc(N2CC3(C2)CCC[NH2+]C3)[nH+]c1C ZINC001159020055 963977598 /nfs/dbraw/zinc/97/75/98/963977598.db2.gz RDNADZDJSXIBNG-UHFFFAOYSA-N 2 0 231.343 1.888 20 0 BDADRP CN(c1cc(N2CCCC2)cc[nH+]1)C(C)(C)C[NH3+] ZINC001159055179 963990264 /nfs/dbraw/zinc/99/02/64/963990264.db2.gz GKRJNIFYOQYHFZ-UHFFFAOYSA-N 2 0 248.374 1.855 20 0 BDADRP COc1ccc2c(c1)C[C@@H]([NH2+]C1(C[NH3+])CC1)C2 ZINC001168259084 964075257 /nfs/dbraw/zinc/07/52/57/964075257.db2.gz ISANMOFSXHUTMQ-LBPRGKRZSA-N 2 0 232.327 1.243 20 0 BDADRP Cc1ccc(-n2cc(C[NH3+])cn2)c(C[NH+](C)C)c1 ZINC001168261978 964085584 /nfs/dbraw/zinc/08/55/84/964085584.db2.gz WKIYXXMITHFNEB-UHFFFAOYSA-N 2 0 244.342 1.701 20 0 BDADRP [NH3+]Cc1ccccc1NC=C1CC[NH2+]CC1 ZINC001159733786 964173127 /nfs/dbraw/zinc/17/31/27/964173127.db2.gz YPPFXWSEVIRLOY-UHFFFAOYSA-N 2 0 217.316 1.825 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1cc(Cl)ncc1F ZINC001159783100 964194403 /nfs/dbraw/zinc/19/44/03/964194403.db2.gz BFCJYQOPJIQCHF-SECBINFHSA-N 2 0 232.690 1.310 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ncnc2cccc(F)c21 ZINC001159784909 964194852 /nfs/dbraw/zinc/19/48/52/964194852.db2.gz MBGIBXCKNFFRJN-JTQLQIEISA-N 2 0 249.293 1.205 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1cc(Cl)ncc1F ZINC001159783102 964197171 /nfs/dbraw/zinc/19/71/71/964197171.db2.gz BFCJYQOPJIQCHF-VIFPVBQESA-N 2 0 232.690 1.310 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1cc(N2CCCC2)cc[nH+]1 ZINC001159786581 964201108 /nfs/dbraw/zinc/20/11/08/964201108.db2.gz DZBOQCLLULBAPM-LBPRGKRZSA-N 3 0 249.362 1.117 20 0 BDADRP Cc1cc(N[C@H]([NH3+])CCC[NH3+])nc(C2CC2)n1 ZINC001159789753 964207076 /nfs/dbraw/zinc/20/70/76/964207076.db2.gz WQNCUORHRFUVHP-JTQLQIEISA-N 2 0 235.335 1.098 20 0 BDADRP CC[NH2+]CC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001482890095 964232556 /nfs/dbraw/zinc/23/25/56/964232556.db2.gz VNGFDYSQASZZFZ-VXGBXAGGSA-N 2 0 243.395 1.077 20 0 BDADRP COCC1([NH2+]CC2CC[NH+](C)CC2)CC1 ZINC000697542183 964251819 /nfs/dbraw/zinc/25/18/19/964251819.db2.gz FVIXDAZWLFXENQ-UHFFFAOYSA-N 2 0 212.337 1.097 20 0 BDADRP c1cc2c(nc1NC[C@H]1CCCC[NH2+]1)CC[NH2+]C2 ZINC001160144269 964253926 /nfs/dbraw/zinc/25/39/26/964253926.db2.gz ASLGDOXIMPEBJD-GFCCVEGCSA-N 2 0 246.358 1.281 20 0 BDADRP CN(C)c1cc[nH+]c(Nc2ccc(C[NH3+])nc2)c1 ZINC001160402403 964297976 /nfs/dbraw/zinc/29/79/76/964297976.db2.gz SKSHFDJRWSBDQK-UHFFFAOYSA-N 2 0 243.314 1.745 20 0 BDADRP C[NH+](C)C1CCC([NH2+]C2CCC(=O)CC2)CC1 ZINC001168298315 964388101 /nfs/dbraw/zinc/38/81/01/964388101.db2.gz MABFZCGMNVHCJJ-UHFFFAOYSA-N 2 0 238.375 1.961 20 0 BDADRP C[NH+](C)C1CCC(n2ccc(C[NH3+])c2)CC1 ZINC001168298820 964394062 /nfs/dbraw/zinc/39/40/62/964394062.db2.gz DUEDJCIQHRGAOY-UHFFFAOYSA-N 2 0 221.348 1.992 20 0 BDADRP C[C@@H](C[NH3+])C[N@H+](C)C1CCC([NH+](C)C)CC1 ZINC001168303731 964398421 /nfs/dbraw/zinc/39/84/21/964398421.db2.gz AUGVROVTSDQYBA-HIFPTAJRSA-N 3 0 227.396 1.386 20 0 BDADRP C[NH+](C)C1CCC(Nc2ccc(C[NH3+])nc2)CC1 ZINC001168304006 964399211 /nfs/dbraw/zinc/39/92/11/964399211.db2.gz JGGRKDJOZXEKFK-UHFFFAOYSA-N 2 0 248.374 1.825 20 0 BDADRP C[C@@H]1C[N@@H+](C2CCC([NH+](C)C)CC2)CC[C@H]1O ZINC001168313699 964414354 /nfs/dbraw/zinc/41/43/54/964414354.db2.gz GDQXETHIGICRHB-BLYZHGLHSA-N 2 0 240.391 1.562 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2CC[C@@H](O)[C@H](F)C2)CC1 ZINC001168315032 964424760 /nfs/dbraw/zinc/42/47/60/964424760.db2.gz PPMUTMKSWSRNNC-FIYWTHMPSA-N 2 0 244.354 1.264 20 0 BDADRP C[NH+](C)C1CCC([NH+]2CC3(CC(O)C3)C2)CC1 ZINC001168314861 964426300 /nfs/dbraw/zinc/42/63/00/964426300.db2.gz GOUYNDGRYPPNIF-UHFFFAOYSA-N 2 0 238.375 1.316 20 0 BDADRP C[C@H]1COCC[N@@H+]1C1CCC([NH+](C)C)CC1 ZINC001168315484 964426966 /nfs/dbraw/zinc/42/69/66/964426966.db2.gz WEFHVSSWVAWRCL-HIFPTAJRSA-N 2 0 226.364 1.580 20 0 BDADRP COC[C@@H]1CCC[N@@H+]1C1CCC([NH+](C)C)CC1 ZINC001168315500 964428188 /nfs/dbraw/zinc/42/81/88/964428188.db2.gz WTVMBTQQLWGYJO-RUXDESIVSA-N 2 0 240.391 1.970 20 0 BDADRP C[C@@H](CC[NH2+]C[C@H]1CCSC1)[NH+](C)C ZINC000697873162 964598752 /nfs/dbraw/zinc/59/87/52/964598752.db2.gz UCHPWALQMLUFQY-WDEREUQCSA-N 2 0 216.394 1.669 20 0 BDADRP C[C@@H]1CN(C2CC[NH+](C)CC2)C[C@H](C)[N@H+]1C ZINC000200371688 964617072 /nfs/dbraw/zinc/61/70/72/964617072.db2.gz JKTGXGIADAUSJH-TXEJJXNPSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H](CC[NH2+][C@H]1CCOC[C@H]1C)[NH+](C)C ZINC000697891326 964650481 /nfs/dbraw/zinc/65/04/81/964650481.db2.gz RLPBRZIHCRKVBK-WOPDTQHZSA-N 2 0 214.353 1.341 20 0 BDADRP Cc1c(N)cc[nH+]c1NCCCC[NH+](C)C ZINC001161725375 964715660 /nfs/dbraw/zinc/71/56/60/964715660.db2.gz XYISJEPFKDCPFO-UHFFFAOYSA-N 2 0 222.336 1.726 20 0 BDADRP C[NH+](C)CCCC[NH2+]c1ccc2c(=O)[nH]cc-2[nH]1 ZINC001161724443 964716226 /nfs/dbraw/zinc/71/62/26/964716226.db2.gz IRTXQPKEIDMBAC-UHFFFAOYSA-N 2 0 248.330 1.079 20 0 BDADRP Cc1cnc(NC2C[NH+](C(C)(C)C)C2)c(C[NH3+])c1 ZINC001162226910 964883052 /nfs/dbraw/zinc/88/30/52/964883052.db2.gz ZCXFPKFPKZSGKZ-UHFFFAOYSA-N 2 0 248.374 1.743 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1CO[C@@H]1C[NH+]2CCC1CC2 ZINC001224700899 964885292 /nfs/dbraw/zinc/88/52/92/964885292.db2.gz BVPHTCKMTDXHIU-ZIAGYGMSSA-N 2 0 238.375 1.582 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1CO[C@@H]1CCC[NH+](C)CC1 ZINC001224703175 964890489 /nfs/dbraw/zinc/89/04/89/964890489.db2.gz QUKZZFPQOUQZTK-ZIAGYGMSSA-N 2 0 240.391 1.972 20 0 BDADRP C[N@@H+]1CC[C@@H](OC[C@H]2CCCC[NH+]2C)C1 ZINC001224704452 964890599 /nfs/dbraw/zinc/89/05/99/964890599.db2.gz YXEVTHAJHSAGNP-VXGBXAGGSA-N 2 0 212.337 1.191 20 0 BDADRP Cc1cc2[nH+]ccn2cc1-n1cnc(C[NH3+])c1 ZINC001162301756 964917964 /nfs/dbraw/zinc/91/79/64/964917964.db2.gz DMFCKFKGPYMVCJ-UHFFFAOYSA-N 2 0 227.271 1.287 20 0 BDADRP Nc1cc[nH+]c2cc(-n3cnc(C[NH3+])c3)ccc12 ZINC001162304257 964919322 /nfs/dbraw/zinc/91/93/22/964919322.db2.gz ODNJLTLWPHSKAZ-UHFFFAOYSA-N 2 0 239.282 1.461 20 0 BDADRP [NH3+]Cc1cn(-c2cccc3c2CC[C@@H]3[NH3+])cn1 ZINC001162304797 964920855 /nfs/dbraw/zinc/92/08/55/964920855.db2.gz SJXYYIJKUXXPNL-LBPRGKRZSA-N 2 0 228.299 1.277 20 0 BDADRP C[NH+](C)Cc1ccc(N[C@H]2CCC[C@H]([NH3+])C2)nc1 ZINC001162395598 964957211 /nfs/dbraw/zinc/95/72/11/964957211.db2.gz VJLGIZFKYDOBMZ-STQMWFEESA-N 2 0 248.374 1.825 20 0 BDADRP C[C@H]1C[NH2+]CCC[C@H]1CNc1ccc[n+](C)c1 ZINC001162469515 964988772 /nfs/dbraw/zinc/98/87/72/964988772.db2.gz BVXHLAUKJDLTML-STQMWFEESA-N 2 0 234.367 1.559 20 0 BDADRP F[C@@]1(CNc2cc[nH+]cc2)CCCC[NH2+]C1 ZINC001162574553 965053118 /nfs/dbraw/zinc/05/31/18/965053118.db2.gz ZNWNGWNFKDVNRY-LBPRGKRZSA-N 2 0 223.295 1.397 20 0 BDADRP Cc1cc(-n2nccc2C[NH3+])cc(C)[nH+]1 ZINC001162593921 965068802 /nfs/dbraw/zinc/06/88/02/965068802.db2.gz VOBWNIIBBJYVPG-UHFFFAOYSA-N 2 0 202.261 1.343 20 0 BDADRP CC[NH+](CC)CCOC1CC[NH+](C)CC1 ZINC001224924406 965094803 /nfs/dbraw/zinc/09/48/03/965094803.db2.gz JQSKMBHGMWYVKE-UHFFFAOYSA-N 2 0 214.353 1.439 20 0 BDADRP C1=C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000698220998 965111755 /nfs/dbraw/zinc/11/17/55/965111755.db2.gz OCBIJQQTPYPDKH-QNWHQSFQSA-N 2 0 206.333 1.683 20 0 BDADRP C(C1CC1)[NH+]1CCC(N2CC[N@@H+]3CC[C@@H]3C2)CC1 ZINC001168395236 965146858 /nfs/dbraw/zinc/14/68/58/965146858.db2.gz RVPHIDVWGCOZRI-OAHLLOKOSA-N 2 0 249.402 1.251 20 0 BDADRP C1=C[C@H](Nc2ccc3c([nH+]2)CCC3)[C@H]2C[NH2+]C[C@@H]12 ZINC001162794487 965180900 /nfs/dbraw/zinc/18/09/00/965180900.db2.gz PNJNNGGDCRIOTP-DYEKYZERSA-N 2 0 241.338 1.756 20 0 BDADRP [NH3+]Cc1ccnc(N[C@@]23CCC[C@@H]2[NH2+]CC3)c1 ZINC001162978172 965214955 /nfs/dbraw/zinc/21/49/55/965214955.db2.gz STRQRFGBRQUIGS-WCQYABFASA-N 2 0 232.331 1.237 20 0 BDADRP Cc1cc[nH+]c(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)c1C ZINC001163095123 965256656 /nfs/dbraw/zinc/25/66/56/965256656.db2.gz XWMGKMSEKWPAMY-JHJVBQTASA-N 2 0 247.342 1.345 20 0 BDADRP c1cc2c[nH+]cc(NC[C@@]34C[NH2+][C@@H](CO3)C4)c2[nH]1 ZINC001163203590 965301082 /nfs/dbraw/zinc/30/10/82/965301082.db2.gz ZUZSOBBNUXNFTA-ZWNOBZJWSA-N 2 0 244.298 1.106 20 0 BDADRP c1cc(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)cc[nH+]1 ZINC001163268193 965327280 /nfs/dbraw/zinc/32/72/80/965327280.db2.gz CAQNAYAIRZJIIG-OCCSQVGLSA-N 2 0 247.342 1.074 20 0 BDADRP Cc1[nH+]c(N(C)CC[NH+](C)C)cc2[nH]ccc21 ZINC001163590931 965473362 /nfs/dbraw/zinc/47/33/62/965473362.db2.gz KEZNNYHNHPEUQM-UHFFFAOYSA-N 2 0 232.331 1.869 20 0 BDADRP C[C@@H](C[NH+](C)C)Nc1ccc([C@H]2CCC[NH2+]2)cn1 ZINC001163770179 965574616 /nfs/dbraw/zinc/57/46/16/965574616.db2.gz GZTYLDIEWRTLMT-WCQYABFASA-N 2 0 248.374 1.868 20 0 BDADRP Cc1ccc(N(CCC[NH3+])C(C)C)[nH+]c1N ZINC001164121630 965742833 /nfs/dbraw/zinc/74/28/33/965742833.db2.gz RHQHDVIBXBYORD-UHFFFAOYSA-N 2 0 222.336 1.536 20 0 BDADRP Cc1nn(C)cc1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205095598 965756191 /nfs/dbraw/zinc/75/61/91/965756191.db2.gz ZYVHNDSBKBYGKP-GFCCVEGCSA-N 2 0 222.336 1.042 20 0 BDADRP [NH3+][C@@H]1CCC[N@H+](Cc2cccc3n[nH]cc32)CC1 ZINC001205109919 965828075 /nfs/dbraw/zinc/82/80/75/965828075.db2.gz NBAKTAWMLOZPKS-GFCCVEGCSA-N 2 0 244.342 1.876 20 0 BDADRP C[C@H]1CC(CN2CC[C@@H]3[NH2+]CC[C@H]32)C[C@H](C)O1 ZINC001235039694 965989683 /nfs/dbraw/zinc/98/96/83/965989683.db2.gz XMPUGZMZCVSXPY-AUZPSNTRSA-N 2 0 238.375 1.626 20 0 BDADRP C(CN1CCC[C@]12CC[NH2+]C2)[C@H]1CCCC[NH2+]1 ZINC001235112259 966007630 /nfs/dbraw/zinc/00/76/30/966007630.db2.gz ZHDDMBSLNOAJCL-ZIAGYGMSSA-N 2 0 237.391 1.347 20 0 BDADRP [NH3+]CC1(F)CCN(c2cc3[nH]ccc3c[nH+]2)CC1 ZINC001165263003 966014599 /nfs/dbraw/zinc/01/45/99/966014599.db2.gz QKZAWENLMJSOSZ-UHFFFAOYSA-N 2 0 248.305 1.830 20 0 BDADRP C[C@H]1C[N@H+](Cc2cccc(N(C)C)c2)C[C@H]1C[NH3+] ZINC001205140831 966022316 /nfs/dbraw/zinc/02/23/16/966022316.db2.gz OQZREEFAUMXJJV-GXTWGEPZSA-N 2 0 247.386 1.779 20 0 BDADRP CC[C@H]1CN(Cc2ccc3c(c2)C[NH2+]C3)CC[NH2+]1 ZINC001235731485 966101778 /nfs/dbraw/zinc/10/17/78/966101778.db2.gz ZOMSMYSLVJAVPI-HNNXBMFYSA-N 2 0 245.370 1.474 20 0 BDADRP CC(C)c1ccccc1CN(CC[NH3+])CC[NH3+] ZINC001235877379 966128247 /nfs/dbraw/zinc/12/82/47/966128247.db2.gz KANXUEHXEZHZLT-UHFFFAOYSA-N 2 0 235.375 1.529 20 0 BDADRP C[C@@H]1CC[C@H]([NH3+])CN1C[C@H]([NH3+])Cc1ccccc1 ZINC001235892456 966135774 /nfs/dbraw/zinc/13/57/74/966135774.db2.gz QYSHDAGFWABOQN-VHDGCEQUSA-N 2 0 247.386 1.368 20 0 BDADRP C[C@@H]1CC[C@H]([NH3+])CN1Cc1cccc(C[NH3+])c1 ZINC001235902412 966146711 /nfs/dbraw/zinc/14/67/11/966146711.db2.gz FRMAYKHHBGPSBW-RISCZKNCSA-N 2 0 233.359 1.457 20 0 BDADRP [NH3+][C@]12CC[C@H]1C[N@H+](C[C@@H]1C[C@H]3C=C[C@@H]1C3)C2 ZINC001235978310 966187378 /nfs/dbraw/zinc/18/73/78/966187378.db2.gz KGHMBXGVGPZUQB-NDKCEZKHSA-N 2 0 218.344 1.622 20 0 BDADRP CS[C@H](C)CC[N@@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235977342 966193928 /nfs/dbraw/zinc/19/39/28/966193928.db2.gz GNKBZPKWERSWEM-OUAUKWLOSA-N 2 0 214.378 1.551 20 0 BDADRP C[NH2+]C[C@H]1CCCN1CC[C@H]1CCCC[NH2+]1 ZINC001236421906 966425201 /nfs/dbraw/zinc/42/52/01/966425201.db2.gz WYSTZMINECZSPX-CHWSQXEVSA-N 2 0 225.380 1.202 20 0 BDADRP CC(C)Oc1cc[nH+]c(N(C)C[C@@H]2CC[NH2+]C2)c1 ZINC001166956110 966480925 /nfs/dbraw/zinc/48/09/25/966480925.db2.gz WWQHNARFROVFCW-GFCCVEGCSA-N 2 0 249.358 1.915 20 0 BDADRP [NH3+]CC1(CC(=O)Nc2cccc3c2C[NH2+]C3)CC1 ZINC001522510424 966516409 /nfs/dbraw/zinc/51/64/09/966516409.db2.gz AOQWQNAADPSPDQ-UHFFFAOYSA-N 2 0 245.326 1.357 20 0 BDADRP CC(C)[NH2+]CCC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001485735397 966631736 /nfs/dbraw/zinc/63/17/36/966631736.db2.gz IUCSOSSJYRMEAI-GFCCVEGCSA-N 2 0 243.395 1.221 20 0 BDADRP CS[C@@H](C)CC[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205210620 966846055 /nfs/dbraw/zinc/84/60/55/966846055.db2.gz QDXIWKMPWPWURP-RYUDHWBXSA-N 2 0 246.420 1.304 20 0 BDADRP CC/C=C\CCC[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205210908 966852679 /nfs/dbraw/zinc/85/26/79/966852679.db2.gz SSAMFPPMDZPCCM-VQTKUKTRSA-N 2 0 240.391 1.909 20 0 BDADRP COC1(C[N@@H+]2CC[C@@H](CC[NH3+])C2)CCCC1 ZINC000692422295 966876437 /nfs/dbraw/zinc/87/64/37/966876437.db2.gz FLOQLIJPSAJNCX-GFCCVEGCSA-N 2 0 226.364 1.616 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]C[C@@H]3CCSC3)[C@@H]2C1 ZINC001204089816 966889771 /nfs/dbraw/zinc/88/97/71/966889771.db2.gz RKENJFLURRXQGD-RVMXOQNASA-N 2 0 240.416 1.669 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@H](CO)C2)CC1 ZINC001204144233 966902978 /nfs/dbraw/zinc/90/29/78/966902978.db2.gz FJTPKRYFRLQLGT-AWEZNQCLSA-N 2 0 240.391 1.423 20 0 BDADRP C[NH+](C)CCCC[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715528848 967064136 /nfs/dbraw/zinc/06/41/36/967064136.db2.gz BDWUIQYTMZMMTH-UHFFFAOYSA-N 3 0 241.423 1.791 20 0 BDADRP Cn1ncc2cc(CN3CCC[NH2+]CC3)ccc21 ZINC001204667073 967125592 /nfs/dbraw/zinc/12/55/92/967125592.db2.gz DDRDBOIEUCJBLA-UHFFFAOYSA-N 2 0 244.342 1.369 20 0 BDADRP C[NH2+]C1CN(CCC[NH2+]C2CCCCC2)C1 ZINC001204705686 967136287 /nfs/dbraw/zinc/13/62/87/967136287.db2.gz GCBYKNITTBYKIZ-UHFFFAOYSA-N 2 0 225.380 1.202 20 0 BDADRP C[C@@]1([NH3+])CCN(Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001204789912 967171469 /nfs/dbraw/zinc/17/14/69/967171469.db2.gz DXRHFPVXGZXJAE-CYBMUJFWSA-N 2 0 230.315 1.486 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000715562824 967182348 /nfs/dbraw/zinc/18/23/48/967182348.db2.gz RIJOGBPEROQLCX-JHJVBQTASA-N 2 0 228.380 1.466 20 0 BDADRP CCC[N@H+](CCO)CC1CC[NH+](C)CC1 ZINC000691347533 967253679 /nfs/dbraw/zinc/25/36/79/967253679.db2.gz GNRMDNRPYSSAQV-UHFFFAOYSA-N 2 0 214.353 1.033 20 0 BDADRP CCCC[N@H+](CCO)CC1CC[NH+](C)CC1 ZINC000691347770 967254319 /nfs/dbraw/zinc/25/43/19/967254319.db2.gz IFCSBAUEWGHXKN-UHFFFAOYSA-N 2 0 228.380 1.423 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CC[C@H](O)C2(C)C)CC1 ZINC000691348313 967254768 /nfs/dbraw/zinc/25/47/68/967254768.db2.gz JAHFQQBFHZKIRW-LBPRGKRZSA-N 2 0 226.364 1.173 20 0 BDADRP Cc1nc(N)ccc1CN1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205076309 967325123 /nfs/dbraw/zinc/32/51/23/967325123.db2.gz SCQYGOQHAFIHBM-CABZTGNLSA-N 2 0 234.347 1.284 20 0 BDADRP CS[C@H](C)CC[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205094816 967340455 /nfs/dbraw/zinc/34/04/55/967340455.db2.gz QKZQCTUTWIIATB-GHMZBOCLSA-N 2 0 216.394 1.941 20 0 BDADRP [NH3+][C@H]1CCC[N@H+](Cc2c[nH]c3ncccc23)CC1 ZINC001205101408 967347456 /nfs/dbraw/zinc/34/74/56/967347456.db2.gz FCDZLMAYQRNIDX-LBPRGKRZSA-N 2 0 244.342 1.876 20 0 BDADRP Cn1cc(C[N@@H+]2CCC[C@H]([NH3+])CC2)c(C2CC2)n1 ZINC001205117538 967366641 /nfs/dbraw/zinc/36/66/41/967366641.db2.gz QKNYBRDDUCVVLE-ZDUSSCGKSA-N 2 0 248.374 1.611 20 0 BDADRP Nc1ccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)cc1F ZINC001205124345 967370922 /nfs/dbraw/zinc/37/09/22/967370922.db2.gz OPWJFHKHCLJEGX-NSHDSACASA-N 2 0 237.322 1.721 20 0 BDADRP Nc1ccccc1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205124430 967372476 /nfs/dbraw/zinc/37/24/76/967372476.db2.gz RHLZTASBCPLZSF-GFCCVEGCSA-N 2 0 219.332 1.582 20 0 BDADRP C[C@H](C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1)C(F)(F)F ZINC001205130852 967378380 /nfs/dbraw/zinc/37/83/80/967378380.db2.gz MJOCPMIJZASZSG-DJLDLDEBSA-N 2 0 224.270 1.711 20 0 BDADRP [NH3+]CCCCN1CCCCC(F)(F)C1 ZINC001205156226 967393519 /nfs/dbraw/zinc/39/35/19/967393519.db2.gz TXODAVQYZSMACK-UHFFFAOYSA-N 2 0 206.280 1.847 20 0 BDADRP COc1cncc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1C ZINC001205151453 967393950 /nfs/dbraw/zinc/39/39/50/967393950.db2.gz UOTVMNQLWPGVEG-CMPLNLGQSA-N 2 0 249.358 1.425 20 0 BDADRP Cc1cnc(F)c(CN2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205151050 967395575 /nfs/dbraw/zinc/39/55/75/967395575.db2.gz OAYVRNAXRABBOY-CMPLNLGQSA-N 2 0 237.322 1.556 20 0 BDADRP C[C@]1([NH3+])CCC[N@H+](Cc2ccc[nH]c2=O)CC1 ZINC001205263950 967459063 /nfs/dbraw/zinc/45/90/63/967459063.db2.gz GFQRZJXNFDNYQZ-ZDUSSCGKSA-N 2 0 235.331 1.491 20 0 BDADRP Cc1ncc(F)cc1C[NH+]1CCC(C[NH3+])CC1 ZINC001205046292 967592118 /nfs/dbraw/zinc/59/21/18/967592118.db2.gz BNGISDSQEQHWIR-UHFFFAOYSA-N 2 0 237.322 1.700 20 0 BDADRP [NH3+]C[C@]1(F)CCC[N@H+](CCCCCO)CC1 ZINC001205539426 967684168 /nfs/dbraw/zinc/68/41/68/967684168.db2.gz YWIXPVFXBPEDJU-LBPRGKRZSA-N 2 0 232.343 1.302 20 0 BDADRP Cn1cncc1C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205545373 967685162 /nfs/dbraw/zinc/68/51/62/967685162.db2.gz FUVWIMORNXLVAS-GFCCVEGCSA-N 2 0 240.326 1.073 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+]CCC2(C)OCCO2)CC1 ZINC000715917187 967711233 /nfs/dbraw/zinc/71/12/33/967711233.db2.gz LVIZMIGDILVWIO-LBPRGKRZSA-N 2 0 242.363 1.213 20 0 BDADRP COCCCC[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205603117 967716999 /nfs/dbraw/zinc/71/69/99/967716999.db2.gz NUCVDPIXFQWBHK-QWHCGFSZSA-N 2 0 228.380 1.720 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@H]2CCC=CO2)CC[C@H]1C[NH3+] ZINC001205602264 967717591 /nfs/dbraw/zinc/71/75/91/967717591.db2.gz IDXOLPBOHGMGAV-HZSPNIEDSA-N 2 0 238.375 1.986 20 0 BDADRP C[C@H]1CC[N@H+](Cc2ccns2)CC[C@@H]1C[NH3+] ZINC001205637902 967736805 /nfs/dbraw/zinc/73/68/05/967736805.db2.gz JUFNEAMZLPJNKB-WDEREUQCSA-N 2 0 239.388 1.950 20 0 BDADRP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)O1 ZINC000701568301 967815844 /nfs/dbraw/zinc/81/58/44/967815844.db2.gz MQAHWKGYPPHVMI-FVCCEPFGSA-N 2 0 238.375 1.804 20 0 BDADRP COC1CCC(C[N@@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)CC1 ZINC001205862989 967863241 /nfs/dbraw/zinc/86/32/41/967863241.db2.gz ICKPNIDBEHWYLR-RYSNWHEDSA-N 2 0 240.391 1.861 20 0 BDADRP COC1CC(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C1 ZINC000703882910 967882231 /nfs/dbraw/zinc/88/22/31/967882231.db2.gz YIQMFJWXDSDSDA-NMHYENAYSA-N 2 0 238.375 1.471 20 0 BDADRP C[C@H](C[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1)c1ccccc1 ZINC001205946970 967895979 /nfs/dbraw/zinc/89/59/79/967895979.db2.gz UQNHJXKBKGKNHW-MRVWCRGKSA-N 2 0 234.343 1.184 20 0 BDADRP CCC1(C[N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)COC1 ZINC001205981485 967924051 /nfs/dbraw/zinc/92/40/51/967924051.db2.gz DSMCPRSJNVYKEY-CHWSQXEVSA-N 2 0 240.391 1.720 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CCOC2)CCC[C@@H]1C[NH3+] ZINC001205985620 967931077 /nfs/dbraw/zinc/93/10/77/967931077.db2.gz YZOUREBUGYTQEL-JHJVBQTASA-N 2 0 226.364 1.330 20 0 BDADRP COCCCC[N@@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205985672 967943986 /nfs/dbraw/zinc/94/39/86/967943986.db2.gz ZMBJLNLPKWEANY-STQMWFEESA-N 2 0 228.380 1.720 20 0 BDADRP C[C@H]1C[N@H+](Cc2cncs2)CCC[C@@H]1C[NH3+] ZINC001205996770 967948857 /nfs/dbraw/zinc/94/88/57/967948857.db2.gz YGEZUZZGWPNEKO-WDEREUQCSA-N 2 0 239.388 1.950 20 0 BDADRP C[C@H]1C[N@H+](Cc2ncco2)CCC[C@H]1C[NH3+] ZINC001206003764 967959705 /nfs/dbraw/zinc/95/97/05/967959705.db2.gz MHWLPEXEWKKADE-QWRGUYRKSA-N 2 0 223.320 1.481 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccncc2N)CCC[C@@H]1C[NH3+] ZINC001206003239 967962765 /nfs/dbraw/zinc/96/27/65/967962765.db2.gz FYNABMKKXFYRSY-NWDGAFQWSA-N 2 0 248.374 1.471 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C[C@H]1[NH3+] ZINC001206037862 968002335 /nfs/dbraw/zinc/00/23/35/968002335.db2.gz YIORQBNFWIZVNZ-JHJVBQTASA-N 3 0 225.380 1.045 20 0 BDADRP C[NH+]1CCC(C)(CNC2=[NH+]CCCCN2)CC1 ZINC000697671514 968020912 /nfs/dbraw/zinc/02/09/12/968020912.db2.gz UCTKXFAWGTUQQS-UHFFFAOYSA-N 2 0 238.379 1.047 20 0 BDADRP CC[C@H](CCC(=O)OC)C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001206053306 968022797 /nfs/dbraw/zinc/02/27/97/968022797.db2.gz QOLVTBMJUNKYCL-IJLUTSLNSA-N 2 0 242.363 1.245 20 0 BDADRP [NH3+][C@@H]1CN(CC2CCC(F)(F)CC2)CC[C@H]1O ZINC001206082322 968053811 /nfs/dbraw/zinc/05/38/11/968053811.db2.gz WTJXSYIMAWWAEE-GHMZBOCLSA-N 2 0 248.317 1.206 20 0 BDADRP CC(C)N(CCC[NH3+])c1cccc2c1C[NH2+]CC2 ZINC001164127210 968174957 /nfs/dbraw/zinc/17/49/57/968174957.db2.gz QJDHOZCHSPOPIO-UHFFFAOYSA-N 2 0 247.386 1.896 20 0 BDADRP C[C@H]1C[NH2+]CCCN1CC[C@@H]1CCCC[NH2+]1 ZINC001206258056 968175168 /nfs/dbraw/zinc/17/51/68/968175168.db2.gz PBHADAVFNSVDKJ-STQMWFEESA-N 2 0 225.380 1.202 20 0 BDADRP C[NH+](C)CCCOC1CC[NH+](C)CC1 ZINC001206285039 968194028 /nfs/dbraw/zinc/19/40/28/968194028.db2.gz BECIZPKWNNRZAW-UHFFFAOYSA-N 2 0 200.326 1.049 20 0 BDADRP Cc1nc([C@H]2CCC[N@H+](CCCC[NH3+])C2)no1 ZINC001206285761 968196885 /nfs/dbraw/zinc/19/68/85/968196885.db2.gz NXDUREFTOPORNA-NSHDSACASA-N 2 0 238.335 1.296 20 0 BDADRP Cc1nccc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)n1 ZINC001206304200 968210851 /nfs/dbraw/zinc/21/08/51/968210851.db2.gz HEDDXIWJLXAAQN-AWEZNQCLSA-N 2 0 248.374 1.736 20 0 BDADRP Cn1cnc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)c1 ZINC001206305463 968212746 /nfs/dbraw/zinc/21/27/46/968212746.db2.gz ZVSHHZUYWPALPM-CYBMUJFWSA-N 2 0 236.363 1.371 20 0 BDADRP [NH3+][C@@H]1CCN(c2cc[nH+]cc2C(F)(F)F)C1 ZINC001164281850 968213508 /nfs/dbraw/zinc/21/35/08/968213508.db2.gz PDFXELZCDAZSFQ-SSDOTTSWSA-N 2 0 231.221 1.638 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2ncco2)CC1 ZINC001206311419 968216751 /nfs/dbraw/zinc/21/67/51/968216751.db2.gz ODXYFEGHRUZDJB-LBPRGKRZSA-N 2 0 223.320 1.626 20 0 BDADRP Cc1nc(C)c(C)c(N2C[C@H](C[NH3+])CC[C@H]2C)n1 ZINC001164474179 968236797 /nfs/dbraw/zinc/23/67/97/968236797.db2.gz NHJHWEZMYXSBHG-RNCFNFMXSA-N 2 0 248.374 1.965 20 0 BDADRP CCCC[N@@H+]1CCCC[C@@](F)(CN)C1 ZINC001206335201 968239112 /nfs/dbraw/zinc/23/91/12/968239112.db2.gz CETDSSICUBATDA-LLVKDONJSA-N 2 0 202.317 1.939 20 0 BDADRP CC1=C[C@H](C)[C@@H](C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001206457945 968319200 /nfs/dbraw/zinc/31/92/00/968319200.db2.gz VPPNACOKRJHPKT-RFQIPJPRSA-N 2 0 238.375 1.230 20 0 BDADRP CCC[N@H+]1C[C@@H]2C[NH+](C[C@H](O)CC)C[C@@H]2C1 ZINC001251782569 968324706 /nfs/dbraw/zinc/32/47/06/968324706.db2.gz JFSNLQUOIRVTRL-FRRDWIJNSA-N 2 0 226.364 1.031 20 0 BDADRP CCC[NH+]1C[C@@H]2C[NH+](C[C@H](O)CC)C[C@H]2C1 ZINC001251782570 968324841 /nfs/dbraw/zinc/32/48/41/968324841.db2.gz JFSNLQUOIRVTRL-JHJVBQTASA-N 2 0 226.364 1.031 20 0 BDADRP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2C2CC2)C[C@@H]1O ZINC001206519068 968349423 /nfs/dbraw/zinc/34/94/23/968349423.db2.gz HSQGIRKZVRKODE-ZFWWWQNUSA-N 2 0 246.354 1.315 20 0 BDADRP C[NH+](C)CCn1cc(Nc2cc[nH+]c(N)c2)cn1 ZINC001206521767 968350231 /nfs/dbraw/zinc/35/02/31/968350231.db2.gz CZTPYBHYQDCDLD-UHFFFAOYSA-N 2 0 246.318 1.166 20 0 BDADRP COC(=O)[C@H](C)C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206541958 968356159 /nfs/dbraw/zinc/35/61/59/968356159.db2.gz OGPFPCFPXOGRAC-YPMHNXCESA-N 2 0 242.363 1.246 20 0 BDADRP COCCC[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206542042 968369340 /nfs/dbraw/zinc/36/93/40/968369340.db2.gz PTOULQQAIRBERY-GFCCVEGCSA-N 2 0 214.353 1.474 20 0 BDADRP CC[NH+](CC)CCCC[NH2+]C[C@H](C)O ZINC001251968730 968412092 /nfs/dbraw/zinc/41/20/92/968412092.db2.gz GGORWCFLRQJFGR-NSHDSACASA-N 2 0 202.342 1.079 20 0 BDADRP [NH3+]C[C@H]1CCCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC001206606363 968413204 /nfs/dbraw/zinc/41/32/04/968413204.db2.gz LUHZGRSDUTYJQE-CYBMUJFWSA-N 2 0 225.380 1.047 20 0 BDADRP [NH3+]C[C@@H]1CCCCN(CC[C@H]2CCCC[NH2+]2)C1 ZINC001206606355 968414928 /nfs/dbraw/zinc/41/49/28/968414928.db2.gz LOENEQPXXQTRJN-UONOGXRCSA-N 3 0 239.407 1.579 20 0 BDADRP Cc1cc(NC/C=C/C[NH3+])nc(C(C)C)n1 ZINC000164550681 968522914 /nfs/dbraw/zinc/52/29/14/968522914.db2.gz MWCWLVOJXGWEEG-SNAWJCMRSA-N 2 0 220.320 1.835 20 0 BDADRP CCCC[NH+]1CCC(C[NH2+]CC(C)(C)O)CC1 ZINC001252370315 968650534 /nfs/dbraw/zinc/65/05/34/968650534.db2.gz NLOIOKKYJMKJGC-UHFFFAOYSA-N 2 0 242.407 1.859 20 0 BDADRP C[C@@H]1C[N@H+](CC(C)(C)C[NH+](C)C)CCCO1 ZINC001207276118 968710714 /nfs/dbraw/zinc/71/07/14/968710714.db2.gz UYAKQPJCPALDAG-GFCCVEGCSA-N 2 0 228.380 1.685 20 0 BDADRP CO[C@@H]1CC[N@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207280354 968711245 /nfs/dbraw/zinc/71/12/45/968711245.db2.gz WDLKJNYSFGTPDE-LLVKDONJSA-N 2 0 214.353 1.295 20 0 BDADRP C[NH+](C)CC(C)(C)C[N@@H+]1CCCC2(COC2)C1 ZINC001207280278 968711690 /nfs/dbraw/zinc/71/16/90/968711690.db2.gz SUOLVKGRSISIKL-UHFFFAOYSA-N 2 0 240.391 1.687 20 0 BDADRP COC[C@H]1CCC[N@@H+]1CC(C)(C)C[NH+](C)C ZINC001207275411 968713925 /nfs/dbraw/zinc/71/39/25/968713925.db2.gz NJVZLUOAGKPOME-GFCCVEGCSA-N 2 0 228.380 1.685 20 0 BDADRP C[C@@H]1CC[N@H+](CC2CC[NH+](C)CC2)C[C@]1(C)O ZINC001207392050 968744382 /nfs/dbraw/zinc/74/43/82/968744382.db2.gz VJPDLGMRMGPNQC-OCCSQVGLSA-N 2 0 240.391 1.421 20 0 BDADRP Cn1cnc2c1C[N@H+](CC1CC[NH+](C)CC1)CC2 ZINC001207401926 968751537 /nfs/dbraw/zinc/75/15/37/968751537.db2.gz SWBPQEVYEHLYKT-UHFFFAOYSA-N 2 0 248.374 1.120 20 0 BDADRP C[NH+]1CCC(C[NH+]2CC3(CCC3)C2)CC1 ZINC001207393934 968752232 /nfs/dbraw/zinc/75/22/32/968752232.db2.gz FWGKXWPRFDEKHK-UHFFFAOYSA-N 2 0 208.349 1.814 20 0 BDADRP F[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCC1(F)F ZINC001207436916 968758063 /nfs/dbraw/zinc/75/80/63/968758063.db2.gz WVSZVFTZRIAZOM-JTQLQIEISA-N 2 0 236.281 1.665 20 0 BDADRP C[C@]1(CO)CCC[N@H+](CC2CC[NH2+]CC2)CC1 ZINC001207436474 968769145 /nfs/dbraw/zinc/76/91/45/968769145.db2.gz JCPDDYOMVHNPRM-AWEZNQCLSA-N 2 0 240.391 1.471 20 0 BDADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC001207479014 968794738 /nfs/dbraw/zinc/79/47/38/968794738.db2.gz ARVUCGYAMMUJLH-BETUJISGSA-N 2 0 240.391 1.828 20 0 BDADRP C[C@@H]1CC[C@H](O)C[N@@H+]1CCC1CC[NH+](C)CC1 ZINC001207479402 968795256 /nfs/dbraw/zinc/79/52/56/968795256.db2.gz IBXUJABFSPSGAV-OCCSQVGLSA-N 2 0 240.391 1.564 20 0 BDADRP C[N@H+](CCC1CC[NH+](C)CC1)CC1COC1 ZINC001207486018 968796372 /nfs/dbraw/zinc/79/63/72/968796372.db2.gz BEKJGFZNOJCREP-UHFFFAOYSA-N 2 0 226.364 1.297 20 0 BDADRP C[NH+]1CCC(CC[N@@H+]2CCn3cncc3C2)CC1 ZINC001207486403 968796625 /nfs/dbraw/zinc/79/66/25/968796625.db2.gz HNJYRKVJGWYPTK-UHFFFAOYSA-N 2 0 248.374 1.431 20 0 BDADRP C[NH+]1CCC(CC[N@@H+]2C[C@@H]3CCO[C@@H]3C2)CC1 ZINC001207487253 968796678 /nfs/dbraw/zinc/79/66/78/968796678.db2.gz VFPKBXFTVCAKQF-UONOGXRCSA-N 2 0 238.375 1.439 20 0 BDADRP C[N@H+](CCC1CC[NH+](C)CC1)Cc1cnccn1 ZINC001207485573 968796918 /nfs/dbraw/zinc/79/69/18/968796918.db2.gz WZRNLTCIFNGBLJ-UHFFFAOYSA-N 2 0 248.374 1.640 20 0 BDADRP CN1CC[C@H]([N@H+](C)CCC2CC[NH+](C)CC2)C1 ZINC001207485214 968799552 /nfs/dbraw/zinc/79/95/52/968799552.db2.gz URVDWMYVYRJXKC-AWEZNQCLSA-N 2 0 239.407 1.354 20 0 BDADRP CC[C@H](COC)[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001207835419 968895300 /nfs/dbraw/zinc/89/53/00/968895300.db2.gz CBQBETLIYSJQOA-FDYHWXHSSA-N 2 0 226.364 1.341 20 0 BDADRP C[C@H]1C[N@H+](CC2(C)CC[NH+](C)CC2)CC[C@@H]1O ZINC001208107060 968995535 /nfs/dbraw/zinc/99/55/35/968995535.db2.gz IXDVPQDIJWMULV-STQMWFEESA-N 2 0 240.391 1.421 20 0 BDADRP C[NH+]1CCC(C)(C[NH+]2CC3(CSC3)C2)CC1 ZINC001208110388 969006780 /nfs/dbraw/zinc/00/67/80/969006780.db2.gz CFONWRLDDDGTET-UHFFFAOYSA-N 2 0 240.416 1.767 20 0 BDADRP [NH3+]Cc1ccc(-c2nccc(C3C[NH2+]C3)n2)cc1 ZINC001241913128 969142221 /nfs/dbraw/zinc/14/22/21/969142221.db2.gz PQOJGDVOYOQJFN-UHFFFAOYSA-N 2 0 240.310 1.289 20 0 BDADRP [NH3+]Cc1ccc(-c2ncnc3c2CC[NH2+]C3)cc1 ZINC001241911530 969143031 /nfs/dbraw/zinc/14/30/31/969143031.db2.gz MYMXFJUWPYTLPU-UHFFFAOYSA-N 2 0 240.310 1.248 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CCOC[C@@H](C)C2)CC1 ZINC001208593612 969148207 /nfs/dbraw/zinc/14/82/07/969148207.db2.gz XZEXTAVMWPBGIQ-ZDUSSCGKSA-N 2 0 240.391 1.687 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CCO[C@H](C)C2)CC1 ZINC001208593137 969151224 /nfs/dbraw/zinc/15/12/24/969151224.db2.gz ODWUQSSGNRRORA-GFCCVEGCSA-N 2 0 226.364 1.439 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)CC1 ZINC001208601652 969156749 /nfs/dbraw/zinc/15/67/49/969156749.db2.gz PHHZXNYCIIXODB-UONOGXRCSA-N 2 0 238.375 1.439 20 0 BDADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@H]1CCCC1(C)C ZINC001253406699 969163573 /nfs/dbraw/zinc/16/35/73/969163573.db2.gz ALUJBEAQIJPEOC-RYUDHWBXSA-N 2 0 242.407 1.904 20 0 BDADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@H]1CC12CCC2 ZINC001253410960 969167473 /nfs/dbraw/zinc/16/74/73/969167473.db2.gz YOIIOBSSPWINES-QWRGUYRKSA-N 2 0 226.364 1.268 20 0 BDADRP CO[C@H]1CCC[N@H+](C[C@@H]2CCC[NH+](C)C2)CC1 ZINC001208613444 969168872 /nfs/dbraw/zinc/16/88/72/969168872.db2.gz UGJZPRXRUDXUAP-KGLIPLIRSA-N 2 0 240.391 1.829 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH+]2CCCOC(C)(C)C2)C1 ZINC001208613455 969172593 /nfs/dbraw/zinc/17/25/93/969172593.db2.gz UKVLAVSRMAHPOA-CYBMUJFWSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccccn2)CCC[C@@H]1C[NH3+] ZINC001205993141 969222490 /nfs/dbraw/zinc/22/24/90/969222490.db2.gz HIFURAUWABYOMJ-QWHCGFSZSA-N 2 0 233.359 1.888 20 0 BDADRP C[C@H]1C[N@H+](Cc2cnccn2)CCC[C@H]1C[NH3+] ZINC001205993134 969223299 /nfs/dbraw/zinc/22/32/99/969223299.db2.gz GZJFMIGMNZLAAU-RYUDHWBXSA-N 2 0 234.347 1.283 20 0 BDADRP [NH3+][C@H]1CCN(c2cc(N3CCCC3)cc[nH+]2)C1 ZINC001156227299 969229756 /nfs/dbraw/zinc/22/97/56/969229756.db2.gz RHCZUBHITXMCCH-NSHDSACASA-N 2 0 232.331 1.219 20 0 BDADRP CC[NH+]1C[C@@H]2C[NH+](C[C@@H]3CCC=CO3)C[C@H]2C1 ZINC001208883885 969275502 /nfs/dbraw/zinc/27/55/02/969275502.db2.gz APNOEQOYDLJJCB-MCIONIFRSA-N 2 0 236.359 1.563 20 0 BDADRP CC(C)([NH3+])c1ccccc1-n1cc(CC[NH3+])cn1 ZINC001168952877 969293433 /nfs/dbraw/zinc/29/34/33/969293433.db2.gz RSYJYTJIAOAWIQ-UHFFFAOYSA-N 2 0 244.342 1.567 20 0 BDADRP Cc1n[nH]cc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205996356 969345409 /nfs/dbraw/zinc/34/54/09/969345409.db2.gz WKENIJWCJTXTKC-JQWIXIFHSA-N 2 0 236.363 1.525 20 0 BDADRP Cc1cnc(C[NH3+])n1-c1ccc([C@H](C)[NH3+])cc1 ZINC001169028434 969348931 /nfs/dbraw/zinc/34/89/31/969348931.db2.gz DPZBUSYFYLCTMA-JTQLQIEISA-N 2 0 230.315 1.659 20 0 BDADRP Cc1cnc(C[NH3+])n1-c1cccc2c1CC[C@@H]2[NH3+] ZINC001169030449 969352575 /nfs/dbraw/zinc/35/25/75/969352575.db2.gz AROTVJZXZXPOBC-LBPRGKRZSA-N 2 0 242.326 1.585 20 0 BDADRP CSCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169093019 969384140 /nfs/dbraw/zinc/38/41/40/969384140.db2.gz DWMMZQFDISMOQQ-ZSBIGDGJSA-N 2 0 228.405 1.954 20 0 BDADRP CCCN(CCC[NH3+])[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169095378 969385940 /nfs/dbraw/zinc/38/59/40/969385940.db2.gz QMTFAEPPTPOPRT-WDNDVIMCSA-N 3 0 239.407 1.672 20 0 BDADRP Cc1cc(C[NH3+])nn1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169093589 969386898 /nfs/dbraw/zinc/38/68/98/969386898.db2.gz IUGGRRBKYJKYMO-CLLJXQQHSA-N 2 0 234.347 1.448 20 0 BDADRP C[C@H](C[NH+](C)C)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169096153 969387266 /nfs/dbraw/zinc/38/72/66/969387266.db2.gz VAEVIKBARYCQOI-FVCCEPFGSA-N 2 0 225.380 1.151 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)C2 ZINC001169095306 969387437 /nfs/dbraw/zinc/38/74/37/969387437.db2.gz OZIIYFKESFVPLC-ZUWCUPBKSA-N 2 0 237.391 1.471 20 0 BDADRP CO[C@@H](C)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169100314 969390549 /nfs/dbraw/zinc/39/05/49/969390549.db2.gz IRLYORJWSNWTBA-YFKTTZPYSA-N 2 0 212.337 1.236 20 0 BDADRP COCC[N@@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001209209665 969396622 /nfs/dbraw/zinc/39/66/22/969396622.db2.gz DXJWCRFBNVOWSD-UONOGXRCSA-N 2 0 240.391 1.972 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(O)CCC1)C2 ZINC001169102286 969397210 /nfs/dbraw/zinc/39/72/10/969397210.db2.gz YXXNIFRSANPGLP-ZSBIGDGJSA-N 2 0 224.348 1.116 20 0 BDADRP CC(C)[C@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169079181 969398425 /nfs/dbraw/zinc/39/84/25/969398425.db2.gz JIPSHRNSPQVNPT-RNJOBUHISA-N 2 0 226.364 1.218 20 0 BDADRP COCC1([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCC1 ZINC001169089653 969406362 /nfs/dbraw/zinc/40/63/62/969406362.db2.gz FIMZEIXGTPEAFY-CLLJXQQHSA-N 2 0 238.375 1.770 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H]1CCOC1)C2 ZINC001169091457 969409419 /nfs/dbraw/zinc/40/94/19/969409419.db2.gz ROKXXXGYSKOMCD-LPWJVIDDSA-N 2 0 224.348 1.238 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1ccnc1CCC[NH3+])C2 ZINC001169122880 969419719 /nfs/dbraw/zinc/41/97/19/969419719.db2.gz FQZGBSPJNCFSLG-ITGUQSILSA-N 2 0 248.374 1.572 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(C)(O)CC1)C2 ZINC001169126082 969423122 /nfs/dbraw/zinc/42/31/22/969423122.db2.gz OURJNNUEPLKUIV-ITGUQSILSA-N 2 0 238.375 1.458 20 0 BDADRP C[C@@H]1C[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CCCO1 ZINC001169125381 969424063 /nfs/dbraw/zinc/42/40/63/969424063.db2.gz HMHNDUAAMNJCKF-MQYQWHSLSA-N 2 0 238.375 1.722 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@@H](F)[C@H](O)C1)C2 ZINC001169126830 969434742 /nfs/dbraw/zinc/43/47/42/969434742.db2.gz XXWBAOSZXDVMSB-NZEXEKPDSA-N 2 0 242.338 1.016 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCC[C@@H](O)C1)C2 ZINC001169126165 969434906 /nfs/dbraw/zinc/43/49/06/969434906.db2.gz QMCFDZHYPODNJJ-XJFOESAGSA-N 2 0 238.375 1.458 20 0 BDADRP CC[C@H](COC)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169109454 969446931 /nfs/dbraw/zinc/44/69/31/969446931.db2.gz IRKVWCZGBHLILB-LPWJVIDDSA-N 2 0 226.364 1.626 20 0 BDADRP C[C@@H]1CN([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@@H+]1C ZINC001169144139 969465327 /nfs/dbraw/zinc/46/53/27/969465327.db2.gz JTCZAENEDZGHIQ-YIYPIFLZSA-N 2 0 237.391 1.248 20 0 BDADRP CN([C@@H]1CC[N@H+](C)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169142853 969468298 /nfs/dbraw/zinc/46/82/98/969468298.db2.gz WUWYPGFOVNOBBB-XJFOESAGSA-N 2 0 237.391 1.248 20 0 BDADRP C[N@H+]([C@@H]1CCCOC1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169160889 969480212 /nfs/dbraw/zinc/48/02/12/969480212.db2.gz MGHIVTCZMGFTMD-RQJABVFESA-N 2 0 238.375 1.722 20 0 BDADRP C[C@H]1C[C@@H]1C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001209426851 969497583 /nfs/dbraw/zinc/49/75/83/969497583.db2.gz GQEJRZFGMKBSOS-NWDGAFQWSA-N 2 0 208.349 1.670 20 0 BDADRP CC[NH+]1CCC(n2cccc2CC[NH3+])CC1 ZINC001169232860 969512381 /nfs/dbraw/zinc/51/23/81/969512381.db2.gz FWMIHHRKQKOQAM-UHFFFAOYSA-N 2 0 221.348 1.646 20 0 BDADRP C[C@@H]([NH3+])c1ccn(-c2ccc3[nH]c(N)[nH+]c3c2)n1 ZINC001169234247 969515565 /nfs/dbraw/zinc/51/55/65/969515565.db2.gz VZKDMOVMXVAUAX-SSDOTTSWSA-N 2 0 242.286 1.351 20 0 BDADRP CCN(CCC[NH+]1CCCCC1)CC[NH+](C)C ZINC001209448707 969518045 /nfs/dbraw/zinc/51/80/45/969518045.db2.gz ZBXVPMFKRYDQCI-UHFFFAOYSA-N 2 0 241.423 1.746 20 0 BDADRP CC[NH+]1CCC(N2CC[N@H+](C)[C@H](C)C2)CC1 ZINC001169265843 969524698 /nfs/dbraw/zinc/52/46/98/969524698.db2.gz RXJLBSYTNWUKEP-GFCCVEGCSA-N 2 0 225.380 1.107 20 0 BDADRP CC[NH+]1CCC(N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001169255204 969542218 /nfs/dbraw/zinc/54/22/18/969542218.db2.gz NOXCQLCIDCDCMA-CQSZACIVSA-N 2 0 239.407 1.497 20 0 BDADRP Cc1ccc(CN(C)C2CC[NH+](C)CC2)[nH]1 ZINC001209566214 969548064 /nfs/dbraw/zinc/54/80/64/969548064.db2.gz JARQBTHEDTXOCX-UHFFFAOYSA-N 2 0 221.348 1.849 20 0 BDADRP C[NH+](C)CC1CC[NH+](Cc2cc[nH]c2)CC1 ZINC000350225314 969552786 /nfs/dbraw/zinc/55/27/86/969552786.db2.gz XNUJBWZHOUFJCU-UHFFFAOYSA-N 2 0 221.348 1.788 20 0 BDADRP CN(CC[NH+]1CCCC1)Cc1c[nH+]ccc1N ZINC001209732139 969594813 /nfs/dbraw/zinc/59/48/13/969594813.db2.gz XKUGWTDRDJEQFX-UHFFFAOYSA-N 2 0 234.347 1.022 20 0 BDADRP Nc1cc[nH+]cc1CN1CCC([NH+]2CCC2)CC1 ZINC001209733916 969595297 /nfs/dbraw/zinc/59/52/97/969595297.db2.gz VOMTZVNRULPGJP-UHFFFAOYSA-N 2 0 246.358 1.164 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+]CCn2cccc2)CC1 ZINC001254501323 969664505 /nfs/dbraw/zinc/66/45/05/969664505.db2.gz SQXKFJZCKRDPQV-CYBMUJFWSA-N 2 0 221.348 1.562 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+]CCc2nncs2)CC1 ZINC001254511085 969678138 /nfs/dbraw/zinc/67/81/38/969678138.db2.gz UYBBHMPIIMSWHY-SNVBAGLBSA-N 2 0 240.376 1.155 20 0 BDADRP CCOC(=O)[C@H](C)C[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001254507485 969684517 /nfs/dbraw/zinc/68/45/17/969684517.db2.gz BZYUPYXCRIVGBS-VXGBXAGGSA-N 2 0 242.363 1.260 20 0 BDADRP CC(C)[NH+]1CCN([C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254516472 969691684 /nfs/dbraw/zinc/69/16/84/969691684.db2.gz MTWQBIYIXMTMJL-AWEZNQCLSA-N 2 0 239.407 1.497 20 0 BDADRP CC(=O)N1CC[C@@H]([NH2+]CCCCCCC[NH3+])C1 ZINC001169511147 969698404 /nfs/dbraw/zinc/69/84/04/969698404.db2.gz TZVOLMSGEHVNQB-CYBMUJFWSA-N 2 0 241.379 1.106 20 0 BDADRP COC[C@@H]1CC[N@@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254534237 969730758 /nfs/dbraw/zinc/73/07/58/969730758.db2.gz UWVQFITZLMXOCY-RYUDHWBXSA-N 2 0 212.337 1.191 20 0 BDADRP [NH3+]CCc1ccccc1NCC[C@H]1CCC[NH2+]1 ZINC001169567229 969764548 /nfs/dbraw/zinc/76/45/48/969764548.db2.gz HLONLXXGNMHVSD-CYBMUJFWSA-N 2 0 233.359 1.742 20 0 BDADRP CC[NH+](CC)CCN[C@H]1CC2CC[NH+](CC2)C1 ZINC001254833403 969795855 /nfs/dbraw/zinc/79/58/55/969795855.db2.gz XXESQXUAIYXZKY-AWEZNQCLSA-N 2 0 239.407 1.402 20 0 BDADRP Cc1ncn([C@@H]2CC3CC[NH+](CC3)C2)c1CC[NH3+] ZINC001254834016 969796094 /nfs/dbraw/zinc/79/60/94/969796094.db2.gz ALQANFSJHXJKGD-CYBMUJFWSA-N 2 0 248.374 1.350 20 0 BDADRP [NH3+]CCc1ccn([C@@H]2CC3CC[NH+](CC3)C2)n1 ZINC001254838591 969799574 /nfs/dbraw/zinc/79/95/74/969799574.db2.gz GKSKLQHFQMWMLE-CYBMUJFWSA-N 2 0 234.347 1.041 20 0 BDADRP c1nn([C@H]2CC3CC[NH+](CC3)C2)c2c1C[NH2+]CC2 ZINC001254855168 969809223 /nfs/dbraw/zinc/80/92/23/969809223.db2.gz LCQCVTNIARECRC-ZDUSSCGKSA-N 2 0 246.358 1.186 20 0 BDADRP C1C[C@@H]2CN([C@@H]3CC4CC[NH+](CC4)C3)CC[N@@H+]2C1 ZINC001254862061 969810617 /nfs/dbraw/zinc/81/06/17/969810617.db2.gz GXZZMBVGLQQODB-HUUCEWRRSA-N 2 0 249.402 1.251 20 0 BDADRP COC[C@H]1CC[N@@H+]1[C@H]1CC2CCN(CC2)C1 ZINC001254865230 969813288 /nfs/dbraw/zinc/81/32/88/969813288.db2.gz CDDNCFQTRLSMAG-OLZOCXBDSA-N 2 0 224.348 1.191 20 0 BDADRP COC[C@@H]1CC[N@@H+]1[C@H]1CC2CCN(CC2)C1 ZINC001254865232 969814129 /nfs/dbraw/zinc/81/41/29/969814129.db2.gz CDDNCFQTRLSMAG-STQMWFEESA-N 2 0 224.348 1.191 20 0 BDADRP CC[N@@H+]1C[C@@H]2C[C@H]1CN2[C@H]1CC2CC[NH+](CC2)C1 ZINC001254866524 969814440 /nfs/dbraw/zinc/81/44/40/969814440.db2.gz PKKUSRWCEJDDBN-KKUMJFAQSA-N 2 0 249.402 1.249 20 0 BDADRP C[C@H](C[NH3+])C[N@H+](C)C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001254937231 969824662 /nfs/dbraw/zinc/82/46/62/969824662.db2.gz ZVYUVJCYMOMBOX-VWYCJHECSA-N 2 0 224.348 1.271 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]C2C[C@H]3CC(=O)C[C@@H]3C2)C1 ZINC001254937185 969828476 /nfs/dbraw/zinc/82/84/76/969828476.db2.gz ZNZJKGBEMFYDMU-BJDJZHNGSA-N 2 0 236.359 1.604 20 0 BDADRP CNc1ccnc(NC(C)(C)CC[NH+](C)C)n1 ZINC001169711005 969828889 /nfs/dbraw/zinc/82/88/89/969828889.db2.gz FHLSFIVYWJENJP-UHFFFAOYSA-N 2 0 237.351 1.661 20 0 BDADRP C/C=C(\NC=[NH2+])NC(C)(C)CC[NH+](C)C ZINC001169712041 969829913 /nfs/dbraw/zinc/82/99/13/969829913.db2.gz VKJDCOJWEGHFIK-UXBLZVDNSA-N 2 0 212.341 1.364 20 0 BDADRP [NH2+]=C(NC1Cc2ccccc2C1)SCC[NH3+] ZINC001255013727 969845336 /nfs/dbraw/zinc/84/53/36/969845336.db2.gz KGIRVOMWEWFHJN-UHFFFAOYSA-N 2 0 235.356 1.370 20 0 BDADRP [NH3+]CCC1CCC([NH2+]C2CCOCC2)CC1 ZINC001255036246 969860292 /nfs/dbraw/zinc/86/02/92/969860292.db2.gz VXUIGEXHPBJUNP-UHFFFAOYSA-N 2 0 226.364 1.663 20 0 BDADRP [NH2+]=C(NC1CCSCC1)SCC[NH3+] ZINC001255081180 969874554 /nfs/dbraw/zinc/87/45/54/969874554.db2.gz UCEBFZRQLSUTDD-UHFFFAOYSA-N 2 0 219.379 1.098 20 0 BDADRP C[C@H]1CCN(CC2(C)CC[NH2+]CC2)CC[NH2+]1 ZINC001210474724 969899220 /nfs/dbraw/zinc/89/92/20/969899220.db2.gz IKYPDLQEWNPWGY-LBPRGKRZSA-N 2 0 225.380 1.060 20 0 BDADRP C[NH+](C)[C@H]1CC[C@H]([NH2+][C@@H]2CCSC2)CC1 ZINC001255274687 970025255 /nfs/dbraw/zinc/02/52/55/970025255.db2.gz OOQZCJWWVWWTIA-IJLUTSLNSA-N 2 0 228.405 1.954 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+][C@H]2CCSC2)C1 ZINC001255277296 970028264 /nfs/dbraw/zinc/02/82/64/970028264.db2.gz RNEYXZANGSFHNR-GUBZILKMSA-N 2 0 200.351 1.351 20 0 BDADRP [NH3+]CCCCCCC[NH2+][C@H]1CCSC1 ZINC001255277828 970029734 /nfs/dbraw/zinc/02/97/34/970029734.db2.gz XIKBGGZQTZEBMC-NSHDSACASA-N 2 0 216.394 1.991 20 0 BDADRP CCOC(=O)[C@@H]1CCC[C@@H]([NH2+]C2CC([NH3+])C2)C1 ZINC001255353872 970122205 /nfs/dbraw/zinc/12/22/05/970122205.db2.gz PYUXMWBPHGOHOZ-QTAHKJALSA-N 2 0 240.347 1.188 20 0 BDADRP C[N@@H+]1CC[C@@H](N(C(N)=[NH2+])c2ccc(F)cc2)C1 ZINC001255415269 970134630 /nfs/dbraw/zinc/13/46/30/970134630.db2.gz GRGUUBALCUYFOT-LLVKDONJSA-N 2 0 236.294 1.230 20 0 BDADRP C[N@@H+]1CC[C@@H](Nc2ccc(C[NH3+])c(F)c2)C1 ZINC001255418352 970140132 /nfs/dbraw/zinc/14/01/32/970140132.db2.gz AUIJDMLUWHBJIJ-LLVKDONJSA-N 2 0 223.295 1.400 20 0 BDADRP CN1CC[C@H]([NH2+][C@H]2CC[C@@H]([NH+](C)C)CC2)C1 ZINC001255422067 970145495 /nfs/dbraw/zinc/14/54/95/970145495.db2.gz OZPVBGBZFHVQAI-RWMBFGLXSA-N 2 0 225.380 1.153 20 0 BDADRP CN1CC[C@@H]([NH2+][C@H]2CCN(CC3CCC3)C2)C1 ZINC001255422764 970147807 /nfs/dbraw/zinc/14/78/07/970147807.db2.gz PZWMNVAHBDSPOC-KGLIPLIRSA-N 2 0 237.391 1.155 20 0 BDADRP CC(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(C)C2)[C@H](C)C1 ZINC001255425459 970150573 /nfs/dbraw/zinc/15/05/73/970150573.db2.gz GNUDTNAFAOYPGH-MCIONIFRSA-N 2 0 239.407 1.399 20 0 BDADRP CCN(CC[NH+]1CCCC1)[C@@H]1CC[N@H+](C)C1 ZINC001255436055 970165742 /nfs/dbraw/zinc/16/57/42/970165742.db2.gz ONGMJKGYFMJUOR-CYBMUJFWSA-N 2 0 225.380 1.108 20 0 BDADRP C[N@@H+]1CCC[C@@H](n2cc3cc(C[NH3+])ccc3n2)C1 ZINC001255470708 970199028 /nfs/dbraw/zinc/19/90/28/970199028.db2.gz OLQAHMYTMWVBHR-CYBMUJFWSA-N 2 0 244.342 1.762 20 0 BDADRP C[N@@H+]1CCC[C@@H](n2ncc3cccc(C[NH3+])c32)C1 ZINC001255472213 970204037 /nfs/dbraw/zinc/20/40/37/970204037.db2.gz QUXWVAQICVKXRJ-CYBMUJFWSA-N 2 0 244.342 1.762 20 0 BDADRP C[N@@H+]1CCC[C@@H](Nc2cccc(CC[NH3+])c2)C1 ZINC001255475816 970206236 /nfs/dbraw/zinc/20/62/36/970206236.db2.gz VWVBAKILVLBOGA-CQSZACIVSA-N 2 0 233.359 1.694 20 0 BDADRP COc1c[nH+]ccc1Nc1c[nH+]c(C)n1C ZINC001211262833 970210593 /nfs/dbraw/zinc/21/05/93/970210593.db2.gz MMUJIFCTYANYDK-UHFFFAOYSA-N 2 0 218.260 1.298 20 0 BDADRP CC[N@@H+]1CCCN([C@H]2CCC[NH+](C)C2)CC1 ZINC001255480965 970220296 /nfs/dbraw/zinc/22/02/96/970220296.db2.gz NAEKXVXTWYHIKX-ZDUSSCGKSA-N 2 0 225.380 1.108 20 0 BDADRP CCN(CC[NH+]1CCCC1)[C@@H]1CCC[N@H+](C)C1 ZINC001255486464 970234639 /nfs/dbraw/zinc/23/46/39/970234639.db2.gz LPCHUIDULKVWKI-CQSZACIVSA-N 2 0 239.407 1.498 20 0 BDADRP CC1(C)C[C@H](NC(=[NH2+])SCC[NH3+])CCO1 ZINC001255526005 970286890 /nfs/dbraw/zinc/28/68/90/970286890.db2.gz ATSAXINGBNCKQG-MRVPVSSYSA-N 2 0 231.365 1.160 20 0 BDADRP CC[NH+](CC)CCN(CC[NH3+])[C@H]1CC[C@H](C)C1 ZINC001170102093 970294808 /nfs/dbraw/zinc/29/48/08/970294808.db2.gz RHURFUAJQHZYFE-KBPBESRZSA-N 2 0 241.423 1.778 20 0 BDADRP CC1(C)C[C@@H]([NH2+]CCSCC[NH3+])CCO1 ZINC001255532913 970296542 /nfs/dbraw/zinc/29/65/42/970296542.db2.gz NHIUWAKGEFOVEZ-JTQLQIEISA-N 2 0 232.393 1.226 20 0 BDADRP C[C@H]1CC[C@@H](N(CCC[NH3+])CCC[NH+](C)C)C1 ZINC001170109445 970309338 /nfs/dbraw/zinc/30/93/38/970309338.db2.gz PVWNXMCIDMNFBB-UONOGXRCSA-N 2 0 241.423 1.778 20 0 BDADRP C[C@@H]1CC[C@@H](N(CCC[NH3+])CCC[NH+](C)C)C1 ZINC001170109446 970310457 /nfs/dbraw/zinc/31/04/57/970310457.db2.gz PVWNXMCIDMNFBB-ZIAGYGMSSA-N 2 0 241.423 1.778 20 0 BDADRP Cc1ncc2n1CC[N@H+]([C@@H]1CCOC(C)(C)C1)C2 ZINC001255540299 970312527 /nfs/dbraw/zinc/31/25/27/970312527.db2.gz IMGIIOXTWFMYOE-GFCCVEGCSA-N 2 0 249.358 1.965 20 0 BDADRP COC[C@@H](C)[NH2+]CCCCCCC[NH3+] ZINC001255560389 970337499 /nfs/dbraw/zinc/33/74/99/970337499.db2.gz DQOIFKGQXQAXRS-LLVKDONJSA-N 2 0 202.342 1.520 20 0 BDADRP COC[C@H](C)[NH2+]Cc1ccccc1C[NH3+] ZINC001255564294 970353533 /nfs/dbraw/zinc/35/35/33/970353533.db2.gz VNEHWVXGVNYPIA-JTQLQIEISA-N 2 0 208.305 1.270 20 0 BDADRP C[C@H](CC(F)(F)F)[NH2+]CCC[N@H+](C)CCO ZINC001255646647 970424490 /nfs/dbraw/zinc/42/44/90/970424490.db2.gz QOYZIBXLRUURJC-SECBINFHSA-N 2 0 242.285 1.231 20 0 BDADRP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1c[nH+]ccc1N ZINC001276712891 970515199 /nfs/dbraw/zinc/51/51/99/970515199.db2.gz BXRSBXNITXVKIO-YHWZYXNKSA-N 2 0 246.358 1.209 20 0 BDADRP CC[C@H]1C[C@@H](NC(=[NH2+])SCC[NH3+])CCO1 ZINC001170169663 970541867 /nfs/dbraw/zinc/54/18/67/970541867.db2.gz OVXFHVOXHYMKHT-IUCAKERBSA-N 2 0 231.365 1.160 20 0 BDADRP CC[C@H]1C[C@@H]([NH2+]CCSCC[NH3+])CCO1 ZINC001170181367 970559609 /nfs/dbraw/zinc/55/96/09/970559609.db2.gz HNTLWUFHDAFJEV-QWRGUYRKSA-N 2 0 232.393 1.226 20 0 BDADRP CC[C@@H]1C[C@H]([N@H+](C)C[C@H](C)C[NH3+])CCO1 ZINC001170182608 970561024 /nfs/dbraw/zinc/56/10/24/970561024.db2.gz NJWQBDHFWWZNMU-IJLUTSLNSA-N 2 0 214.353 1.471 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N1CCC(C)([NH3+])CC1 ZINC001255948010 970563170 /nfs/dbraw/zinc/56/31/70/970563170.db2.gz CHGBASSLMOMFCM-ZDUSSCGKSA-N 2 0 241.423 1.920 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]CCCCCO ZINC001255940464 970571245 /nfs/dbraw/zinc/57/12/45/970571245.db2.gz YSHNMOWCHSHHFL-CYBMUJFWSA-N 2 0 230.396 1.859 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H]1CC[C@H](O)CC1 ZINC001255939297 970571628 /nfs/dbraw/zinc/57/16/28/970571628.db2.gz BEARMQITGWZNDU-MGPQQGTHSA-N 2 0 242.407 2.000 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N1CCC[C@H]([NH3+])C1 ZINC001255942033 970575510 /nfs/dbraw/zinc/57/55/10/970575510.db2.gz BHCZZPPUEVEBGN-OLZOCXBDSA-N 2 0 227.396 1.530 20 0 BDADRP COC1(C[NH2+][C@H](C)C2CC[NH2+]CC2)CCCC1 ZINC000400335352 970578072 /nfs/dbraw/zinc/57/80/72/970578072.db2.gz FEBXPSULWUQJDE-GFCCVEGCSA-N 2 0 240.391 1.923 20 0 BDADRP Cc1cnccc1C[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000400349437 970581446 /nfs/dbraw/zinc/58/14/46/970581446.db2.gz LUMKMLDZDLHJMA-LBPRGKRZSA-N 2 0 233.359 1.868 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCSC1)C1CC[NH2+]CC1 ZINC000400347417 970581461 /nfs/dbraw/zinc/58/14/61/970581461.db2.gz KZXGTLDZFUBBRM-MNOVXSKESA-N 2 0 228.405 1.717 20 0 BDADRP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1cnn(C)c1 ZINC000400344488 970581968 /nfs/dbraw/zinc/58/19/68/970581968.db2.gz GSKOGOUXPFHZBL-GHMZBOCLSA-N 2 0 236.363 1.459 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CC[C@](C)(O)C1 ZINC001255955557 970585536 /nfs/dbraw/zinc/58/55/36/970585536.db2.gz BSBVIUAGJMYAGG-OLZOCXBDSA-N 2 0 228.380 1.564 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ncc[nH]1 ZINC000400434268 970589947 /nfs/dbraw/zinc/58/99/47/970589947.db2.gz MCKRTDOHABSPNU-VHSXEESVSA-N 2 0 222.336 1.448 20 0 BDADRP C[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000400468708 970594261 /nfs/dbraw/zinc/59/42/61/970594261.db2.gz XAIICRCUICEIGE-OBJOEFQTSA-N 2 0 239.407 1.447 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@H]2CCOC2)CC[C@@H]1C[NH3+] ZINC000400565734 970605414 /nfs/dbraw/zinc/60/54/14/970605414.db2.gz NVHIDDVEIKNTEV-FRRDWIJNSA-N 2 0 226.364 1.330 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](CC[C@H]2CCOC2)C1 ZINC000400630451 970611769 /nfs/dbraw/zinc/61/17/69/970611769.db2.gz RKGMKALYWOSQSK-RYUDHWBXSA-N 2 0 212.337 1.084 20 0 BDADRP COCC(C)(C)C[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000400764587 970626873 /nfs/dbraw/zinc/62/68/73/970626873.db2.gz ZBJOIIHPDBCVJH-NSHDSACASA-N 2 0 228.380 1.637 20 0 BDADRP [NH3+]Cc1ccn(C2CC[NH+](C3CC3)CC2)c1 ZINC001256068481 970636284 /nfs/dbraw/zinc/63/62/84/970636284.db2.gz FISUMGSTCNESNK-UHFFFAOYSA-N 2 0 219.332 1.746 20 0 BDADRP C[C@@H](C[NH3+])CN(C)C1CC[NH+](C2CC2)CC1 ZINC001256071479 970637259 /nfs/dbraw/zinc/63/72/59/970637259.db2.gz ZNQFPYXUYLCBJP-NSHDSACASA-N 3 0 225.380 1.140 20 0 BDADRP C[NH+]1CC(CNc2cccc3c2CC[C@H]3[NH3+])C1 ZINC001170256427 970638815 /nfs/dbraw/zinc/63/88/15/970638815.db2.gz LPLNWSGESKWFOR-CYBMUJFWSA-N 2 0 231.343 1.606 20 0 BDADRP C[NH+]1CC(CNc2ccc3[nH]c(N)[nH+]c3c2)C1 ZINC001170256089 970639818 /nfs/dbraw/zinc/63/98/18/970639818.db2.gz CROJHRCENJBMJM-UHFFFAOYSA-N 2 0 231.303 1.119 20 0 BDADRP C[NH+]1CC(CNc2cccc3c2C[NH2+]CC3)C1 ZINC001170256679 970642271 /nfs/dbraw/zinc/64/22/71/970642271.db2.gz SWSAARAFQCMTAT-UHFFFAOYSA-N 2 0 231.343 1.306 20 0 BDADRP C[NH+](C)/C=C/c1ccncc1NCC1C[NH+](C)C1 ZINC001170258752 970646239 /nfs/dbraw/zinc/64/62/39/970646239.db2.gz MFBFUTUXSUPJCR-FNORWQNLSA-N 2 0 246.358 1.587 20 0 BDADRP c1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)no1 ZINC000400988459 970655260 /nfs/dbraw/zinc/65/52/60/970655260.db2.gz WQWWYFBAHHWWLV-OUAUKWLOSA-N 2 0 221.304 1.152 20 0 BDADRP c1cncc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000401088942 970657945 /nfs/dbraw/zinc/65/79/45/970657945.db2.gz WRZDLKOFVSALKF-SOUVJXGZSA-N 2 0 245.370 1.602 20 0 BDADRP CN1CCC([NH2+]Cc2ccccc2C[NH3+])CC1 ZINC001256199885 970694829 /nfs/dbraw/zinc/69/48/29/970694829.db2.gz HQVVWVQVRCUTCM-UHFFFAOYSA-N 2 0 233.359 1.329 20 0 BDADRP CN1CCC([NH2+]CCCCCCC[NH3+])CC1 ZINC001256200289 970696497 /nfs/dbraw/zinc/69/64/97/970696497.db2.gz OMUCZTUPHAQXAO-UHFFFAOYSA-N 2 0 227.396 1.579 20 0 BDADRP CC(C)CC[C@H](C)[NH+]1CCN(CCC[NH3+])CC1 ZINC001256356247 970754844 /nfs/dbraw/zinc/75/48/44/970754844.db2.gz KDHZKNCKQNPABD-AWEZNQCLSA-N 2 0 241.423 1.778 20 0 BDADRP C[NH2+]CCCN1Cc2ccccc2[C@@H]2C[NH2+]C[C@@H]21 ZINC001222558991 972568743 /nfs/dbraw/zinc/56/87/43/972568743.db2.gz RHCCUPYFCZMAIL-GJZGRUSLSA-N 2 0 245.370 1.167 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+]Cc1cccc(COC)c1 ZINC001327415618 972571731 /nfs/dbraw/zinc/57/17/31/972571731.db2.gz KQNVUTPLYOBGNZ-GFCCVEGCSA-N 2 0 236.359 1.921 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](C)[C@](C)(O)CC2)CC[NH2+]1 ZINC001246552787 972738213 /nfs/dbraw/zinc/73/82/13/972738213.db2.gz VEVBGGIMLQNCJZ-YIYPIFLZSA-N 2 0 240.391 1.610 20 0 BDADRP C[NH2+][C@H](C)CCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC001327840703 972756217 /nfs/dbraw/zinc/75/62/17/972756217.db2.gz SHJSFHCWPPURDI-LERXQTSPSA-N 2 0 233.359 1.719 20 0 BDADRP C[C@@H]1CC(N2CCCC[C@@H]([NH3+])C2)C[C@@H](C)[NH2+]1 ZINC001246557863 972775408 /nfs/dbraw/zinc/77/54/08/972775408.db2.gz JGABZOMRHPUPLW-IJLUTSLNSA-N 2 0 225.380 1.329 20 0 BDADRP [NH3+]C[C@H]1C[N@@H+]([C@@H]2C[C@H]3C[C@H]3C2)CCC1(F)F ZINC001246557498 972775596 /nfs/dbraw/zinc/77/55/96/972775596.db2.gz LWWWNLNSTRUFKB-VLEAKVRGSA-N 2 0 230.302 1.701 20 0 BDADRP C[C@@H]1CN([C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)C[C@H]1[NH3+] ZINC001246569536 972824462 /nfs/dbraw/zinc/82/44/62/972824462.db2.gz VXJWDGXXFKZOFJ-LPWJVIDDSA-N 2 0 239.407 1.432 20 0 BDADRP CC(C)OCCC[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000690424457 972841830 /nfs/dbraw/zinc/84/18/30/972841830.db2.gz ZYIRUDOHTXWMHM-LBPRGKRZSA-N 2 0 214.353 1.472 20 0 BDADRP CC(C)([NH3+])CNc1ccc2[nH]c(N)[nH+]c2c1 ZINC001171193207 972844946 /nfs/dbraw/zinc/84/49/46/972844946.db2.gz RTQRLFBIBBCPRB-UHFFFAOYSA-N 2 0 219.292 1.294 20 0 BDADRP C[C@@]1(CO)CCC[N@@H+](C2CC[NH2+]CC2)CC1 ZINC001246577405 972881677 /nfs/dbraw/zinc/88/16/77/972881677.db2.gz RFYCHGWNJFYNIN-CYBMUJFWSA-N 2 0 226.364 1.223 20 0 BDADRP C[NH+]1CC2(CN(Cc3ncn4ccccc34)C2)C1 ZINC001144630573 972897463 /nfs/dbraw/zinc/89/74/63/972897463.db2.gz NVSJAVRFCUXJHL-UHFFFAOYSA-N 2 0 242.326 1.082 20 0 BDADRP C[C@@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[C@H]1O ZINC001246581208 972940373 /nfs/dbraw/zinc/94/03/73/972940373.db2.gz YFNQYHPLOJOHJC-SYCZCVCYSA-N 2 0 238.375 1.362 20 0 BDADRP C[C@H]1C[C@H](N2CCCC[C@](F)(C[NH3+])C2)CC[NH2+]1 ZINC001246582189 972946046 /nfs/dbraw/zinc/94/60/46/972946046.db2.gz RIHXGEIVJAFOHR-XQQFMLRXSA-N 2 0 243.370 1.280 20 0 BDADRP C[C@@H]1C[C@@H](N2CCCC[C@@H](C[NH3+])C2)C[C@H](C)[NH2+]1 ZINC001246591475 972997301 /nfs/dbraw/zinc/99/73/01/972997301.db2.gz JATWVJVGCRILGM-CRWXNKLISA-N 2 0 239.407 1.576 20 0 BDADRP C[C@@H]1C[C@@H]([N@H+](C)[C@H]2CC[C@H](O)CC2)CC[NH2+]1 ZINC001246599970 973018714 /nfs/dbraw/zinc/01/87/14/973018714.db2.gz QLEVCFUPSOLQEO-FVCCEPFGSA-N 2 0 226.364 1.362 20 0 BDADRP CC[C@@H]1C[C@@H]([NH+]2CC(C)(C[NH3+])C2)CCO1 ZINC001246601374 973019313 /nfs/dbraw/zinc/01/93/13/973019313.db2.gz UYGLTKRPHKCWPI-WDEREUQCSA-N 2 0 212.337 1.225 20 0 BDADRP C[NH2+]CC[C@H](C)N1CCC2(CCCC[NH2+]2)CC1 ZINC001246606342 973028262 /nfs/dbraw/zinc/02/82/62/973028262.db2.gz AACVVKKPCYYGRZ-ZDUSSCGKSA-N 2 0 239.407 1.593 20 0 BDADRP C1C[C@@H]2[C@H](CC[N@@H+]2[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)[NH2+]1 ZINC001246627909 973045186 /nfs/dbraw/zinc/04/51/86/973045186.db2.gz AWRPRQATZMDUOJ-LXTVHRRPSA-N 2 0 249.402 1.345 20 0 BDADRP [NH3+][C@@]12C[C@@H]1CCN(C1CC[NH+](CC3CC3)CC1)C2 ZINC001246662060 973076152 /nfs/dbraw/zinc/07/61/52/973076152.db2.gz VNGPKWQXRGOXPR-DZGCQCFKSA-N 2 0 249.402 1.284 20 0 BDADRP CC[C@H]1CN([C@@H]2CC[NH2+][C@@H](C(C)C)C2)CC[NH2+]1 ZINC001246801589 973102831 /nfs/dbraw/zinc/10/28/31/973102831.db2.gz HWKROZAGEPNZDL-BFHYXJOUSA-N 2 0 239.407 1.447 20 0 BDADRP CC[C@H]1CN([C@@H]2CC[NH2+][C@H](C(C)C)C2)CC[NH2+]1 ZINC001246801597 973103612 /nfs/dbraw/zinc/10/36/12/973103612.db2.gz HWKROZAGEPNZDL-MJBXVCDLSA-N 2 0 239.407 1.447 20 0 BDADRP C[C@H]1C[C@H]([NH+]2CCC(n3cnnc3)CC2)CC[NH2+]1 ZINC001246842222 973146704 /nfs/dbraw/zinc/14/67/04/973146704.db2.gz XMJCXDYBORXXSG-WCQYABFASA-N 2 0 249.362 1.056 20 0 BDADRP CC(C)COCC[C@H](C)[N@@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001246854619 973167145 /nfs/dbraw/zinc/16/71/45/973167145.db2.gz QLSDCLYMDWMWMO-MELADBBJSA-N 2 0 240.391 1.861 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1C[C@H]3CC[C@@]3([NH3+])C1)C2 ZINC001246854668 973173362 /nfs/dbraw/zinc/17/33/62/973173362.db2.gz QNXZIYBFVHBBJL-PEBLQZBPSA-N 2 0 235.375 1.035 20 0 BDADRP [NH3+][C@@]12CC[C@H]1C[N@@H+](C1CCSCC1)C2 ZINC001246865291 973204874 /nfs/dbraw/zinc/20/48/74/973204874.db2.gz ZFUQINYPPRRZGC-GXSJLCMTSA-N 2 0 212.362 1.305 20 0 BDADRP CC[C@H]1C[C@H](N(C)C[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC001246888833 973326018 /nfs/dbraw/zinc/32/60/18/973326018.db2.gz KPIHUFLZWJJSDW-RWMBFGLXSA-N 2 0 225.380 1.201 20 0 BDADRP CN([C@H]1CCCC[NH2+]C1)[C@]1(C)CCC[NH2+]C1 ZINC001246909259 973414259 /nfs/dbraw/zinc/41/42/59/973414259.db2.gz HQDAVJSGPOCQSW-QWHCGFSZSA-N 2 0 225.380 1.202 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[N@H+](C)CCO ZINC001246911780 973424509 /nfs/dbraw/zinc/42/45/09/973424509.db2.gz IMRUGSFUSVMRRW-NSHDSACASA-N 2 0 202.342 1.031 20 0 BDADRP CC1(C)CCC[C@H]([N@@H+]2C[C@H]3C[NH2+]C[C@@H]32)C1 ZINC001246919070 973482246 /nfs/dbraw/zinc/48/22/46/973482246.db2.gz MGQFVAJSHUKJJQ-WOPDTQHZSA-N 2 0 208.349 1.859 20 0 BDADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CCF)C1 ZINC001329375709 973712678 /nfs/dbraw/zinc/71/26/78/973712678.db2.gz NXZRWUSBBAJDEG-LLVKDONJSA-N 2 0 202.317 1.653 20 0 BDADRP C[C@@H]1CC[C@@H](N2CC(F)(F)CC[C@@H]2C[NH3+])C[NH2+]1 ZINC001246985408 973749233 /nfs/dbraw/zinc/74/92/33/973749233.db2.gz BPVDEGNQMWGZBM-GMTAPVOTSA-N 2 0 247.333 1.185 20 0 BDADRP C[C@@H]1CC[C@H](N2CC(F)(F)CC[C@@H]2C[NH3+])C[NH2+]1 ZINC001246985422 973751348 /nfs/dbraw/zinc/75/13/48/973751348.db2.gz BPVDEGNQMWGZBM-MXWKQRLJSA-N 2 0 247.333 1.185 20 0 BDADRP CCCN(C[C@H]1CC[NH2+]C1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246996100 973787303 /nfs/dbraw/zinc/78/73/03/973787303.db2.gz QQFJMVGSLABXJS-HZSPNIEDSA-N 2 0 239.407 1.448 20 0 BDADRP C1[NH2+]CC12CC[C@H](N1CC[C@H]3[NH2+]CCC[C@@H]3C1)C2 ZINC001247014104 973797307 /nfs/dbraw/zinc/79/73/07/973797307.db2.gz IYBKLBGKKPHIBK-HZSPNIEDSA-N 2 0 249.402 1.202 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]([NH3+])C1CCCCC1 ZINC001329518642 973809833 /nfs/dbraw/zinc/80/98/33/973809833.db2.gz ADBBLWGHGQGEFI-JBLDHEPKSA-N 2 0 241.379 1.136 20 0 BDADRP Cc1c(N)cc[nH+]c1NC[C@@H]1CCCC[NH2+]1 ZINC001171327007 973817834 /nfs/dbraw/zinc/81/78/34/973817834.db2.gz BXMUOFYCMARTMQ-JTQLQIEISA-N 2 0 220.320 1.526 20 0 BDADRP CC[C@H](O)C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000045134684 973866367 /nfs/dbraw/zinc/86/63/67/973866367.db2.gz UGDATQOANOVCAS-NEPJUHHUSA-N 2 0 214.353 1.077 20 0 BDADRP C[NH+]1CCC(OCCC[NH+]2CCCC2)CC1 ZINC001224748047 973910493 /nfs/dbraw/zinc/91/04/93/973910493.db2.gz HHRCGXUILGBUPN-UHFFFAOYSA-N 2 0 226.364 1.583 20 0 BDADRP C[C@@H](C[NH+](C)C)OC[C@@H]1CCC[N@@H+]1C ZINC001224817164 973991076 /nfs/dbraw/zinc/99/10/76/973991076.db2.gz IQAQZDCYGKRCDG-QWRGUYRKSA-N 2 0 200.326 1.047 20 0 BDADRP C[NH+]1C(C)(C)CC([NH2+]CCCCO)CC1(C)C ZINC001171616928 974112742 /nfs/dbraw/zinc/11/27/42/974112742.db2.gz DPXYDWOZNMDFDG-UHFFFAOYSA-N 2 0 242.407 2.000 20 0 BDADRP CCCC[NH2+]CCCNC(=O)C[N@H+](C)CCC ZINC001171763213 974147556 /nfs/dbraw/zinc/14/75/56/974147556.db2.gz VPUVUMNEGKAHLM-UHFFFAOYSA-N 2 0 243.395 1.224 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+][C@H]1Cc2cccc(F)c2C1 ZINC001171790369 974178628 /nfs/dbraw/zinc/17/86/28/974178628.db2.gz JTGXQNLLVQTYGS-LEWSCRJBSA-N 2 0 234.318 1.762 20 0 BDADRP C[C@H]1C[C@@H](CO)[N@H+](C[C@H](N)Cc2ccccc2)C1 ZINC001206153691 974222404 /nfs/dbraw/zinc/22/24/04/974222404.db2.gz DTEAPSZQVGDAGT-CFVMTHIKSA-N 2 0 248.370 1.259 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@@H]1CCOC1)C2 ZINC001172105480 974364690 /nfs/dbraw/zinc/36/46/90/974364690.db2.gz ICEJZIUWLYKGDN-FQUUOJAGSA-N 2 0 238.375 1.628 20 0 BDADRP COCC1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172112868 974377077 /nfs/dbraw/zinc/37/70/77/974377077.db2.gz GEZMUHHDYDUZSZ-WDNDVIMCSA-N 2 0 238.375 1.580 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC(C)(CO)C1)C2 ZINC001172120037 974378482 /nfs/dbraw/zinc/37/84/82/974378482.db2.gz JEKHNKAIZKKRNK-CLLJXQQHSA-N 2 0 238.375 1.316 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCN1CCC1)C2 ZINC001172113472 974379987 /nfs/dbraw/zinc/37/99/87/974379987.db2.gz HLCQTIJMIOBSDY-BTTYYORXSA-N 2 0 237.391 1.297 20 0 BDADRP CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(CO)CCC1)C2 ZINC001172117403 974385433 /nfs/dbraw/zinc/38/54/33/974385433.db2.gz LKPBUTJHDATVTG-XYYAHUGASA-N 2 0 238.375 1.506 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+]C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172233389 974477013 /nfs/dbraw/zinc/47/70/13/974477013.db2.gz XATKDIHFZANEMA-FUDCBSFHSA-N 2 0 236.359 1.546 20 0 BDADRP COCCC[NH+]1CCC([NH+]2CC=CC2)CC1 ZINC001172249280 974514480 /nfs/dbraw/zinc/51/44/80/974514480.db2.gz ILVZDTUWQISEJZ-UHFFFAOYSA-N 2 0 224.348 1.359 20 0 BDADRP CC[C@@H](C)OCC[C@@H](C)[NH2+]CCN(C)CC[NH3+] ZINC001172344717 974613777 /nfs/dbraw/zinc/61/37/77/974613777.db2.gz UTJMUNCIJACYQY-CHWSQXEVSA-N 2 0 245.411 1.060 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CCOCC[NH3+])C[C@H]1C ZINC001172359031 974629288 /nfs/dbraw/zinc/62/92/88/974629288.db2.gz KWHGLKQQQKUFHM-UTUOFQBUSA-N 2 0 214.353 1.376 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CCN(C)CC[NH3+])C[C@H]1C ZINC001172364787 974637771 /nfs/dbraw/zinc/63/77/71/974637771.db2.gz AYNSMURTLGTCGF-JHJVBQTASA-N 2 0 227.396 1.291 20 0 BDADRP C[NH2+][C@H](C)CCN[C@H](C)C[C@H]1CCC[NH2+]1 ZINC001331418832 974712352 /nfs/dbraw/zinc/71/23/52/974712352.db2.gz LELBFFIEWSYEIA-IJLUTSLNSA-N 2 0 213.369 1.105 20 0 BDADRP CC[C@H](CC(C)C)[NH2+]C[C@@H](C[NH3+])C(=O)OC ZINC001172395796 974752341 /nfs/dbraw/zinc/75/23/41/974752341.db2.gz PRAYOXKHTAYIOF-GHMZBOCLSA-N 2 0 230.352 1.149 20 0 BDADRP CC[C@@H](CC(C)C)[NH2+]C[C@@H](C[NH3+])C(=O)OC ZINC001172395797 974752991 /nfs/dbraw/zinc/75/29/91/974752991.db2.gz PRAYOXKHTAYIOF-MNOVXSKESA-N 2 0 230.352 1.149 20 0 BDADRP [NH3+]C[C@@H](O)C[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172546860 974877506 /nfs/dbraw/zinc/87/75/06/974877506.db2.gz RAGGJARXKVZSDR-HZSPNIEDSA-N 2 0 234.343 1.232 20 0 BDADRP [NH3+]C[C@H](O)C[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172546864 974878847 /nfs/dbraw/zinc/87/88/47/974878847.db2.gz RAGGJARXKVZSDR-RDBSUJKOSA-N 2 0 234.343 1.232 20 0 BDADRP N[C@@H]1C[C@H]1[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172710782 974926909 /nfs/dbraw/zinc/92/69/09/974926909.db2.gz NKYKEYIRASRYAJ-IJLUTSLNSA-N 2 0 222.719 1.496 20 0 BDADRP CC(C)OC(=O)CC[C@H](C)N1CCC[C@H]([NH3+])C1 ZINC001172756769 974928298 /nfs/dbraw/zinc/92/82/98/974928298.db2.gz QXUURVFTOHKTNN-RYUDHWBXSA-N 2 0 242.363 1.530 20 0 BDADRP CC[NH+](CC)C1CCC([NH2+]C[C@H](C)CO)CC1 ZINC001173102103 975021244 /nfs/dbraw/zinc/02/12/44/975021244.db2.gz SGWBSUDYXNXRKL-HSBZDZAISA-N 2 0 242.407 1.857 20 0 BDADRP CC[NH+](CC)C1CCC([NH2+][C@H]2C[C@@H](O)C2)CC1 ZINC001173102196 975022607 /nfs/dbraw/zinc/02/26/07/975022607.db2.gz UOJYICKZKJEKHI-LCKMOKORSA-N 2 0 240.391 1.752 20 0 BDADRP CC[NH+](CC)C1CCC([NH2+]CC(C)(C)O)CC1 ZINC001173105351 975026274 /nfs/dbraw/zinc/02/62/74/975026274.db2.gz RAKCLCLOMIKPKB-UHFFFAOYSA-N 2 0 242.407 2.000 20 0 BDADRP CC[C@@H](CO)[NH2+]C1CCC([NH+](CC)CC)CC1 ZINC001173106338 975026360 /nfs/dbraw/zinc/02/63/60/975026360.db2.gz UISUAPJKYZZMPM-HSBZDZAISA-N 2 0 242.407 2.000 20 0 BDADRP CC[NH+](CC)C1CCC([NH2+]C[C@@H](O)CF)CC1 ZINC001173109237 975027007 /nfs/dbraw/zinc/02/70/07/975027007.db2.gz AFZZGHBGTJVFMR-BPCQOVAHSA-N 2 0 246.370 1.559 20 0 BDADRP C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC001332287764 975043418 /nfs/dbraw/zinc/04/34/18/975043418.db2.gz KKRKLTNWAJENQZ-TUAOUCFPSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccnn1C ZINC001332395471 975092849 /nfs/dbraw/zinc/09/28/49/975092849.db2.gz JGMAMAFDTHGWGE-VOMCLLRMSA-N 2 0 236.363 1.588 20 0 BDADRP C[NH2+][C@@H](C)CCNC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC001332401107 975094364 /nfs/dbraw/zinc/09/43/64/975094364.db2.gz OKOWZIMKEIGYGX-QWRGUYRKSA-N 2 0 249.358 1.434 20 0 BDADRP C[NH2+][C@H](C)CCNC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC001332401104 975095142 /nfs/dbraw/zinc/09/51/42/975095142.db2.gz OKOWZIMKEIGYGX-GHMZBOCLSA-N 2 0 249.358 1.434 20 0 BDADRP CC[C@@H]1CC[C@H](NC(=[NH2+])NCCCC[NH3+])C1 ZINC001173267513 975133629 /nfs/dbraw/zinc/13/36/29/975133629.db2.gz RMOSQDYYRFWPBY-MNOVXSKESA-N 2 0 226.368 1.418 20 0 BDADRP CC[N@@H+]1CC[C@@H](n2ccc([C@@H](C)[NH3+])n2)C1 ZINC001173350661 975294035 /nfs/dbraw/zinc/29/40/35/975294035.db2.gz OJBOLRFFKOORBP-NXEZZACHSA-N 2 0 208.309 1.170 20 0 BDADRP CC[N@@H+]1CC[C@@H](n2c(C[NH3+])cc3ccncc32)C1 ZINC001173353929 975306735 /nfs/dbraw/zinc/30/67/35/975306735.db2.gz SSMRDRRLHOVYCL-GFCCVEGCSA-N 2 0 244.342 1.762 20 0 BDADRP CC[N@@H+]1CC[C@@H](N2C[C@H](C[NH3+])c3ccccc32)C1 ZINC001173361309 975331394 /nfs/dbraw/zinc/33/13/94/975331394.db2.gz USDWEDBJOFDXKQ-QWHCGFSZSA-N 2 0 245.370 1.643 20 0 BDADRP CC[N@@H+]1CC[C@@H](N2CC[NH+](CC(C)C)CC2)C1 ZINC001173364354 975338324 /nfs/dbraw/zinc/33/83/24/975338324.db2.gz QUHYEEYNZCMWQC-CQSZACIVSA-N 2 0 239.407 1.354 20 0 BDADRP CC[N@@H+]1CC[C@H](N(C)C2CC[NH+](CC)CC2)C1 ZINC001173365639 975346961 /nfs/dbraw/zinc/34/69/61/975346961.db2.gz MFUOEZWYJILHQE-AWEZNQCLSA-N 2 0 239.407 1.497 20 0 BDADRP CC[N@@H+]1CC[C@H](n2ccnc2[C@H]2CCC[NH2+]C2)C1 ZINC001173371135 975355246 /nfs/dbraw/zinc/35/52/46/975355246.db2.gz KKDJSZILYYJXHD-STQMWFEESA-N 2 0 248.374 1.617 20 0 BDADRP CCOC(=O)C[C@H]1CC[C@H]([NH2+]C2CC([NH3+])C2)C1 ZINC001173638778 975496788 /nfs/dbraw/zinc/49/67/88/975496788.db2.gz ZQWBEQAESDNGLO-VOBJUBJWSA-N 2 0 240.347 1.188 20 0 BDADRP C[NH2+][C@H](C)CCN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC001333599546 975881089 /nfs/dbraw/zinc/88/10/89/975881089.db2.gz XBWLCKWGDMKZDC-UTUOFQBUSA-N 2 0 227.396 1.480 20 0 BDADRP [NH3+]CCN1CCC([NH2+]CCc2ccccc2)CC1 ZINC000259313442 975890686 /nfs/dbraw/zinc/89/06/86/975890686.db2.gz QLXDBCJREXRGKL-UHFFFAOYSA-N 2 0 247.386 1.242 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCCc3n[nH]cc3C2)CC1 ZINC001333837102 976111653 /nfs/dbraw/zinc/11/16/53/976111653.db2.gz AIPFYWUHIHQMNQ-UHFFFAOYSA-N 2 0 248.374 1.500 20 0 BDADRP C[C@H](C[NH3+])C[N@H+](C)[C@H]1CCO[C@@H](C)C1 ZINC000721409591 976627618 /nfs/dbraw/zinc/62/76/18/976627618.db2.gz IENPGKILGLVKHE-VWYCJHECSA-N 2 0 200.326 1.081 20 0 BDADRP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)[C@@H](C)O ZINC001335413266 977042159 /nfs/dbraw/zinc/04/21/59/977042159.db2.gz OISYTGSSHKVNFM-VXGBXAGGSA-N 2 0 216.369 1.323 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])C[NH2+]CCCC[NH3+] ZINC001336117984 977516441 /nfs/dbraw/zinc/51/64/41/977516441.db2.gz TXOTVCFVRZICBH-NSHDSACASA-N 3 0 215.385 1.469 20 0 BDADRP c1c(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)[nH]c2cc[nH+]cc12 ZINC001232012761 977839388 /nfs/dbraw/zinc/83/93/88/977839388.db2.gz QLEUWAQUGKPKCK-TXEJJXNPSA-N 2 0 243.310 1.641 20 0 BDADRP CC[NH2+][C@H](C)C(=O)N(C)C1(C[NH3+])CCCCC1 ZINC001337035301 978135341 /nfs/dbraw/zinc/13/53/41/978135341.db2.gz RSKDMBNVRQNOKR-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP C[N@@H+]1CCC2(CN(c3cc[nH+]cc3)C2)C1 ZINC001277693971 978204426 /nfs/dbraw/zinc/20/44/26/978204426.db2.gz NZVUGRDCBCTYOV-UHFFFAOYSA-N 2 0 203.289 1.224 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@H+](C[C@@H]2CC[NH2+]C2)CC1 ZINC001206293099 978291722 /nfs/dbraw/zinc/29/17/22/978291722.db2.gz GHMBPAIROJZNES-CHWSQXEVSA-N 3 0 225.380 1.047 20 0 BDADRP COCCCC[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206293089 978292862 /nfs/dbraw/zinc/29/28/62/978292862.db2.gz GBTUENZPRZXLMA-ZDUSSCGKSA-N 2 0 228.380 1.864 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206296861 978316415 /nfs/dbraw/zinc/31/64/15/978316415.db2.gz VGHPSRSBWPGTHJ-GFCCVEGCSA-N 3 0 213.369 1.047 20 0 BDADRP Cn1ccnc1C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206304963 978385956 /nfs/dbraw/zinc/38/59/56/978385956.db2.gz SECSOECZMKOMCO-ZDUSSCGKSA-N 2 0 236.363 1.371 20 0 BDADRP Cc1cc(C)c(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cn1 ZINC001233009725 978405127 /nfs/dbraw/zinc/40/51/27/978405127.db2.gz KWIFJHMKUKGENQ-GASCZTMLSA-N 2 0 245.370 1.692 20 0 BDADRP C[NH+]1CCC(C[NH+]2CC3(CC(F)C3)C2)CC1 ZINC000691584921 978415497 /nfs/dbraw/zinc/41/54/97/978415497.db2.gz HUMLYKZNBXKXRC-UHFFFAOYSA-N 2 0 226.339 1.762 20 0 BDADRP CC[N@@H+]1CCC[C@H](OCC[NH+]2CCCC2)C1 ZINC001206309167 978418491 /nfs/dbraw/zinc/41/84/91/978418491.db2.gz LSGONFIOLPKLBC-ZDUSSCGKSA-N 2 0 226.364 1.583 20 0 BDADRP Cn1c[nH+]cc1N1CCC2(CC[N@H+](C)C2)CC1 ZINC001277765443 978474150 /nfs/dbraw/zinc/47/41/50/978474150.db2.gz ITRSACIDZROSMZ-UHFFFAOYSA-N 2 0 234.347 1.342 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2cocn2)CC1 ZINC001206311554 978479534 /nfs/dbraw/zinc/47/95/34/978479534.db2.gz QNYAZLRUUMHXCJ-LBPRGKRZSA-N 2 0 223.320 1.626 20 0 BDADRP Cc1ncoc1C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206310785 978481891 /nfs/dbraw/zinc/48/18/91/978481891.db2.gz CGOKCYVWDAJNIK-ZDUSSCGKSA-N 2 0 237.347 1.934 20 0 BDADRP CC[NH+](CC)CCSc1nccnc1C[NH3+] ZINC001337787054 978495660 /nfs/dbraw/zinc/49/56/60/978495660.db2.gz BBECYOFTELKZDD-UHFFFAOYSA-N 2 0 240.376 1.369 20 0 BDADRP CC[C@@H](C)[N@@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001277807105 978695937 /nfs/dbraw/zinc/69/59/37/978695937.db2.gz KQVIIKMLSSTFLP-HZSPNIEDSA-N 2 0 239.407 1.353 20 0 BDADRP [NH3+][C@H]1C[C@@H](F)CN(CCC[NH+]2CCCCC2)C1 ZINC001206404833 978775523 /nfs/dbraw/zinc/77/55/23/978775523.db2.gz NFEOXMZYCPJLQY-OLZOCXBDSA-N 2 0 243.370 1.234 20 0 BDADRP C[C@@]1(F)CCCC[N@H+](CCCC[NH3+])C1 ZINC001206405579 978794345 /nfs/dbraw/zinc/79/43/45/978794345.db2.gz QGFXPWADXCAMKY-LLVKDONJSA-N 2 0 202.317 1.939 20 0 BDADRP CCC(=O)C[NH+]1CCC2(CCC[N@H+](C)C2)CC1 ZINC001277852329 978826240 /nfs/dbraw/zinc/82/62/40/978826240.db2.gz RVZDPHWMXLTSHB-UHFFFAOYSA-N 2 0 238.375 1.773 20 0 BDADRP CC[C@@]1(C(=O)N[C@H](C[NH3+])CC(C)C)CCC[NH2+]1 ZINC001339851919 978925581 /nfs/dbraw/zinc/92/55/81/978925581.db2.gz CAJCHUYKJQLELB-AAEUAGOBSA-N 2 0 241.379 1.008 20 0 BDADRP C([C@@H]1CCCC[NH2+]1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234993463 978945039 /nfs/dbraw/zinc/94/50/39/978945039.db2.gz NYUGUWONRIGKNL-UONOGXRCSA-N 2 0 237.391 1.204 20 0 BDADRP C[C@H]([NH3+])CN1C[C@@H]2C(=O)Nc3ccccc3[C@H]2C1 ZINC001235008300 978950517 /nfs/dbraw/zinc/95/05/17/978950517.db2.gz RDPOXBAZLGNBPO-WCQGTBRESA-N 2 0 245.326 1.001 20 0 BDADRP C(CN1CC[C@@H]2CC[NH2+][C@@H]2C1)[C@@H]1CCCC[NH2+]1 ZINC001235018681 978954763 /nfs/dbraw/zinc/95/47/63/978954763.db2.gz RZINEEPKIGQNQV-MELADBBJSA-N 2 0 237.391 1.202 20 0 BDADRP C(CN1CC[C@]2(CC[NH2+]C2)C1)[C@@H]1CCCC[NH2+]1 ZINC001235032470 978956016 /nfs/dbraw/zinc/95/60/16/978956016.db2.gz QGZORMIQVQCPMQ-KBPBESRZSA-N 2 0 237.391 1.204 20 0 BDADRP [NH3+][C@H](CN1CC[C@@H]2[NH2+]CC[C@H]21)c1ccccc1 ZINC001235037979 978959708 /nfs/dbraw/zinc/95/97/08/978959708.db2.gz KNFFIGUZCFTONG-HZSPNIEDSA-N 2 0 231.343 1.123 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235042576 978961565 /nfs/dbraw/zinc/96/15/65/978961565.db2.gz XRDPMKXCKLXEEB-CYBMUJFWSA-N 3 0 225.380 1.333 20 0 BDADRP C[N@@H+]1CCCC2(CC[NH+](C3CC3)CC2)C1 ZINC001277921818 978965748 /nfs/dbraw/zinc/96/57/48/978965748.db2.gz GUYHEZGJMDCKBD-UHFFFAOYSA-N 2 0 208.349 1.957 20 0 BDADRP [NH3+][C@H]1C[C@@H](F)CN(Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001206437476 978970624 /nfs/dbraw/zinc/97/06/24/978970624.db2.gz WCUARTLVPUKJIW-MNOVXSKESA-N 2 0 248.305 1.434 20 0 BDADRP c1n[nH]cc1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC001277922990 978976891 /nfs/dbraw/zinc/97/68/91/978976891.db2.gz PXZVFIZZPAJVAG-QXMXGUDHSA-N 2 0 246.358 1.657 20 0 BDADRP O=c1cc(CN2CCCC[C@@]23CC[NH2+]C3)cc[nH]1 ZINC001235115775 978978171 /nfs/dbraw/zinc/97/81/71/978978171.db2.gz KIBVACAVOCBIIB-AWEZNQCLSA-N 2 0 247.342 1.505 20 0 BDADRP [NH3+][C@@]12C[C@@H]1CCN(Cc1ccc3c(c1)C[NH2+]C3)C2 ZINC001235176381 978989502 /nfs/dbraw/zinc/98/95/02/978989502.db2.gz WCCMSJMJAOMJAE-LSDHHAIUSA-N 2 0 243.354 1.213 20 0 BDADRP [NH3+]CCCC[N@@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001235187465 978992337 /nfs/dbraw/zinc/99/23/37/978992337.db2.gz ZLNFQXAUKDWUOM-RYUDHWBXSA-N 2 0 212.337 1.226 20 0 BDADRP C(CN1CC[C@@H]2[NH2+]CC[C@@H]2C1)[C@H]1CCCC[NH2+]1 ZINC001235253990 979010177 /nfs/dbraw/zinc/01/01/77/979010177.db2.gz GZYKGLFIGTYRSE-MCIONIFRSA-N 2 0 237.391 1.202 20 0 BDADRP C(CN1CC[C@@H]2[NH2+]CC[C@H]2C1)[C@H]1CCCC[NH2+]1 ZINC001235253995 979011264 /nfs/dbraw/zinc/01/12/64/979011264.db2.gz GZYKGLFIGTYRSE-MJBXVCDLSA-N 2 0 237.391 1.202 20 0 BDADRP [NH3+][C@@H]1C[C@@H](F)CN(Cc2cccc3c[nH+]cn32)C1 ZINC001206445277 979022410 /nfs/dbraw/zinc/02/24/10/979022410.db2.gz NZTILDDRHZFABF-GHMZBOCLSA-N 2 0 248.305 1.205 20 0 BDADRP [NH3+][C@@H]1C[C@H](F)CN(Cc2cccc3c[nH+]cn32)C1 ZINC001206445285 979022933 /nfs/dbraw/zinc/02/29/33/979022933.db2.gz NZTILDDRHZFABF-WDEREUQCSA-N 2 0 248.305 1.205 20 0 BDADRP [NH3+][C@H](CN1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC001235386528 979033400 /nfs/dbraw/zinc/03/34/00/979033400.db2.gz KENOETGKEWCHBS-HZSPNIEDSA-N 2 0 231.343 1.123 20 0 BDADRP CN(CC1CC[NH2+]CC1)C[C@@H]1CCCC[NH2+]1 ZINC001235433653 979044326 /nfs/dbraw/zinc/04/43/26/979044326.db2.gz RLTUFVNCHGWLRR-ZDUSSCGKSA-N 2 0 225.380 1.060 20 0 BDADRP CC[C@H](N)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235429466 979046923 /nfs/dbraw/zinc/04/69/23/979046923.db2.gz YDSUAHLXRSAQJW-RDBSUJKOSA-N 2 0 239.407 1.435 20 0 BDADRP CC(C)[C@@H]1C[NH2+]CCN1CC[C@@H]1CCCC[NH2+]1 ZINC001235453063 979049877 /nfs/dbraw/zinc/04/98/77/979049877.db2.gz QFGFTHSMPSAOEX-KBPBESRZSA-N 2 0 239.407 1.448 20 0 BDADRP CC(C)[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CCN1 ZINC001235471850 979052504 /nfs/dbraw/zinc/05/25/04/979052504.db2.gz VDNCNRXDYYOXFO-KGLIPLIRSA-N 2 0 239.407 1.306 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001340720967 979076992 /nfs/dbraw/zinc/07/69/92/979076992.db2.gz ZJCXSZJWXXYHBF-GRYCIOLGSA-N 2 0 241.379 1.007 20 0 BDADRP OCC[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001235680659 979116243 /nfs/dbraw/zinc/11/62/43/979116243.db2.gz VPPVXZXCYZXTNX-CYBMUJFWSA-N 2 0 226.364 1.319 20 0 BDADRP C[C@H]([NH3+])CN1CC[NH+](CC2CCCC2)CC1 ZINC001235713560 979128836 /nfs/dbraw/zinc/12/88/36/979128836.db2.gz ZMDNBTYZFIYEJI-LBPRGKRZSA-N 2 0 225.380 1.141 20 0 BDADRP CC[C@H]1C[NH2+]CCN1CC[C@H]1CCCC[NH2+]1 ZINC001235769643 979145339 /nfs/dbraw/zinc/14/53/39/979145339.db2.gz SFLAYEMQKZNMKI-OLZOCXBDSA-N 2 0 225.380 1.202 20 0 BDADRP CC[C@H]([NH3+])CN1CC[NH2+]C[C@@H]1Cc1ccccc1 ZINC001235847844 979169266 /nfs/dbraw/zinc/16/92/66/979169266.db2.gz MOKRKDHOJIRRMQ-GJZGRUSLSA-N 2 0 247.386 1.240 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCN[C@H](c2ccccc2)C1 ZINC001235858674 979171770 /nfs/dbraw/zinc/17/17/70/979171770.db2.gz ILJVAQXERSYBHP-AWEZNQCLSA-N 2 0 233.359 1.372 20 0 BDADRP CC(C)C[C@H]1CN(C[C@@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001235878370 979176689 /nfs/dbraw/zinc/17/66/89/979176689.db2.gz JYBMOFYAWFKYHZ-KBPBESRZSA-N 2 0 239.407 1.448 20 0 BDADRP [NH3+]CCN(CC[NH3+])Cc1ccc(C2CC2)cc1 ZINC001235877978 979177095 /nfs/dbraw/zinc/17/70/95/979177095.db2.gz QOHZSISLXZLMQI-UHFFFAOYSA-N 2 0 233.359 1.283 20 0 BDADRP [NH3+]CCN(CC[NH3+])Cc1ccc2cccccc1-2 ZINC001235880907 979178283 /nfs/dbraw/zinc/17/82/83/979178283.db2.gz RDROMAUDQGYBBH-UHFFFAOYSA-N 2 0 243.354 1.511 20 0 BDADRP CC(C)C[C@H]1CN(CCCC[NH3+])CC[NH2+]1 ZINC001235878839 979178345 /nfs/dbraw/zinc/17/83/45/979178345.db2.gz RDIKGIITUACTPJ-LBPRGKRZSA-N 2 0 213.369 1.045 20 0 BDADRP [NH3+]CCN(CC[NH3+])Cc1cc2ccccc2o1 ZINC001235877776 979178599 /nfs/dbraw/zinc/17/85/99/979178599.db2.gz UOVZXAKCPQLYMZ-UHFFFAOYSA-N 2 0 233.315 1.152 20 0 BDADRP [NH3+][C@H]1CC=C(C(=O)Nc2cccc3c2C[NH2+]C3)C1 ZINC001340994936 979188080 /nfs/dbraw/zinc/18/80/80/979188080.db2.gz OUDRFUBZKICIGG-NSHDSACASA-N 2 0 243.310 1.276 20 0 BDADRP CN(C[C@H]1CCCC[NH2+]1)C[C@H]1CCC[NH2+]C1 ZINC001235950831 979217446 /nfs/dbraw/zinc/21/74/46/979217446.db2.gz NQHHHXVHQCPECG-QWHCGFSZSA-N 2 0 225.380 1.060 20 0 BDADRP CC(C)[N@H+](CCN)CC1(C)CC[NH2+]CC1 ZINC001235947855 979217491 /nfs/dbraw/zinc/21/74/91/979217491.db2.gz GXNZHMKKWGDXFV-UHFFFAOYSA-N 2 0 213.369 1.045 20 0 BDADRP CC(C)N(CC[NH3+])C[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001235948827 979218167 /nfs/dbraw/zinc/21/81/67/979218167.db2.gz SHXRLHMFDXNGRE-HNNXBMFYSA-N 2 0 247.386 1.370 20 0 BDADRP CC[N@H+](CCCC[NH3+])CCN1CCCCC1 ZINC001235959727 979225907 /nfs/dbraw/zinc/22/59/07/979225907.db2.gz BJZDMMPMVFCZRW-UHFFFAOYSA-N 2 0 227.396 1.533 20 0 BDADRP CCN(CC[C@H]1CCCC[NH2+]1)[C@H]1CC[NH2+]C1 ZINC001235970438 979234627 /nfs/dbraw/zinc/23/46/27/979234627.db2.gz MUBHKXNXENIYIH-OLZOCXBDSA-N 2 0 225.380 1.202 20 0 BDADRP CCN(C[C@H]([NH3+])Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC001235970700 979235922 /nfs/dbraw/zinc/23/59/22/979235922.db2.gz PZYOWYFVUMETME-HUUCEWRRSA-N 2 0 247.386 1.240 20 0 BDADRP [NH3+][C@@]12CC[C@@H]1CN(Cc1ccc3c(c1)C[NH2+]C3)C2 ZINC001235986372 979268442 /nfs/dbraw/zinc/26/84/42/979268442.db2.gz DURJTBSRXWLDCD-HUUCEWRRSA-N 2 0 243.354 1.213 20 0 BDADRP CCC[C@H](C)C[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235995214 979286489 /nfs/dbraw/zinc/28/64/89/979286489.db2.gz YJHAPXRRMVEFLN-ACJTYDJDSA-N 2 0 226.364 1.328 20 0 BDADRP CCN(CC1CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC001236005104 979292020 /nfs/dbraw/zinc/29/20/20/979292020.db2.gz IWMAFCJOCPUJDQ-ZDUSSCGKSA-N 2 0 225.380 1.060 20 0 BDADRP OCCCCC[NH+]1CC2(C1)CCC[NH2+]CC2 ZINC001236007491 979295496 /nfs/dbraw/zinc/29/54/96/979295496.db2.gz DEYLLFRSFPOOJG-UHFFFAOYSA-N 2 0 226.364 1.225 20 0 BDADRP C[NH+](C)CC1(CN2C[C@H]3C[C@@]3([NH3+])C2)CCCC1 ZINC001236014344 979302739 /nfs/dbraw/zinc/30/27/39/979302739.db2.gz HNFGFEOUIFWWNG-TZMCWYRMSA-N 2 0 237.391 1.141 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001181900795 979362500 /nfs/dbraw/zinc/36/25/00/979362500.db2.gz LSAQIDPFFZRDMO-LBPRGKRZSA-N 2 0 226.364 1.439 20 0 BDADRP COc1cccc2c1C[N@H+](CCCC[NH3+])C2 ZINC001236078749 979367622 /nfs/dbraw/zinc/36/76/22/979367622.db2.gz JUKPXBDOBMQCTL-UHFFFAOYSA-N 2 0 220.316 1.750 20 0 BDADRP CC[C@H](C)[C@@H](C(=O)OC)[N@H+](C)CCCC[NH3+] ZINC001236091185 979379805 /nfs/dbraw/zinc/37/98/05/979379805.db2.gz URTSFRILCYTGJZ-QWRGUYRKSA-N 2 0 230.352 1.245 20 0 BDADRP C[C@H]1CN(Cc2cccc3c2CCN3)CCC[NH2+]1 ZINC001236100976 979389021 /nfs/dbraw/zinc/38/90/21/979389021.db2.gz RGOZQMXGKMVGQC-LBPRGKRZSA-N 2 0 245.370 1.838 20 0 BDADRP CS[C@H](C)CCN(C)C[C@@H]1CCC[NH2+]1 ZINC001236116970 979391509 /nfs/dbraw/zinc/39/15/09/979391509.db2.gz SADXLXUCCOZIOS-MNOVXSKESA-N 2 0 216.394 1.812 20 0 BDADRP C[C@H]([NH3+])CN1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001236109577 979392591 /nfs/dbraw/zinc/39/25/91/979392591.db2.gz UKJCLGRHAGWFTG-SDDRHHMPSA-N 2 0 216.328 1.920 20 0 BDADRP CCCC[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CCN1 ZINC001236134893 979401341 /nfs/dbraw/zinc/40/13/41/979401341.db2.gz ISNBOEHBLSSNKS-CQSZACIVSA-N 2 0 239.407 1.450 20 0 BDADRP CCCC[C@@H]1CN(CC[NH2+]CC)CC[NH2+]1 ZINC001236134515 979401408 /nfs/dbraw/zinc/40/14/08/979401408.db2.gz DZNPTVIVAYXYMW-GFCCVEGCSA-N 2 0 213.369 1.060 20 0 BDADRP CCCC[C@@H]1CN(CCC[NH2+]C)CC[NH2+]1 ZINC001236136646 979410697 /nfs/dbraw/zinc/41/06/97/979410697.db2.gz ZUQWHDSGUYPFEU-GFCCVEGCSA-N 2 0 213.369 1.060 20 0 BDADRP CCC[C@H]1CN(CC[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001236176745 979436377 /nfs/dbraw/zinc/43/63/77/979436377.db2.gz BJNHHOGJUSMPJC-KBPBESRZSA-N 2 0 239.407 1.450 20 0 BDADRP CN(CC1CC[NH2+]CC1)[C@@]1(C)CCC[NH2+]C1 ZINC001236199945 979446673 /nfs/dbraw/zinc/44/66/73/979446673.db2.gz GQTLEVYHBJDYKM-ZDUSSCGKSA-N 2 0 225.380 1.060 20 0 BDADRP CN(C[C@@H]([NH3+])c1ccccc1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236210303 979448647 /nfs/dbraw/zinc/44/86/47/979448647.db2.gz ASYXLISOAUFBBV-RRFJBIMHSA-N 2 0 247.386 1.888 20 0 BDADRP CN(C[C@H]1CCC[NH2+]C1)[C@@]1(C)CCC[NH2+]C1 ZINC001236201830 979449411 /nfs/dbraw/zinc/44/94/11/979449411.db2.gz NQZKYQROULAPSC-STQMWFEESA-N 2 0 225.380 1.060 20 0 BDADRP CC(=O)N1CC[C@@H]([N@@H+](CCCC[NH3+])C(C)C)C1 ZINC001236211441 979450145 /nfs/dbraw/zinc/45/01/45/979450145.db2.gz IFSILGNKJAFOOK-CYBMUJFWSA-N 2 0 241.379 1.057 20 0 BDADRP C([C@H]1CCCC[NH2+]1)N1CCC[C@H]([NH2+]C2CC2)C1 ZINC001236216155 979452701 /nfs/dbraw/zinc/45/27/01/979452701.db2.gz KUNVOJDKLDLOSM-KGLIPLIRSA-N 2 0 237.391 1.345 20 0 BDADRP CNc1ccc(CN2CCC[C@@H]2C[NH3+])cc1 ZINC001236252831 979470067 /nfs/dbraw/zinc/47/00/67/979470067.db2.gz QMEXGJXOYYIPMZ-CYBMUJFWSA-N 2 0 219.332 1.651 20 0 BDADRP c1nocc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314910 979525334 /nfs/dbraw/zinc/52/53/34/979525334.db2.gz IXJJAZCZXOGLKT-TXEJJXNPSA-N 2 0 221.304 1.106 20 0 BDADRP Fc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cn1 ZINC001236314733 979525430 /nfs/dbraw/zinc/52/54/30/979525430.db2.gz GBZHXYYNZFMNIC-BETUJISGSA-N 2 0 249.333 1.652 20 0 BDADRP Cc1ccnc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236317204 979528254 /nfs/dbraw/zinc/52/82/54/979528254.db2.gz UQSCQMOZIXLUFJ-OKILXGFUSA-N 2 0 245.370 1.821 20 0 BDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH3+] ZINC001341778460 979553885 /nfs/dbraw/zinc/55/38/85/979553885.db2.gz SFBFHGONHJHGKB-RYUDHWBXSA-N 2 0 241.379 1.103 20 0 BDADRP OCCC[N@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236369641 979570136 /nfs/dbraw/zinc/57/01/36/979570136.db2.gz BDHMIJASZRGEQZ-CYBMUJFWSA-N 2 0 240.391 1.613 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCCN1C[C@H]([NH3+])Cc1ccccc1 ZINC001236417021 979591570 /nfs/dbraw/zinc/59/15/70/979591570.db2.gz WKFXWHNNJINALW-BPLDGKMQSA-N 2 0 247.386 1.368 20 0 BDADRP C[C@@H]1[C@@H]([NH3+])CCCN1Cc1ccc(C[NH3+])cc1 ZINC001236416936 979591848 /nfs/dbraw/zinc/59/18/48/979591848.db2.gz AQPZLEMLINMMAV-RISCZKNCSA-N 2 0 233.359 1.457 20 0 BDADRP [NH3+]CCCC[N@@H+]1CC[C@H](C(=O)c2ccccc2)C1 ZINC001236433526 979595720 /nfs/dbraw/zinc/59/57/20/979595720.db2.gz JLPVTTJXVHQGPP-AWEZNQCLSA-N 2 0 246.354 1.930 20 0 BDADRP [NH3+]CCCC[N@@H+]1CC[C@@H](C(=O)c2ccccc2)C1 ZINC001236433527 979596565 /nfs/dbraw/zinc/59/65/65/979596565.db2.gz JLPVTTJXVHQGPP-CQSZACIVSA-N 2 0 246.354 1.930 20 0 BDADRP [NH3+]CCN(Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236564587 979634586 /nfs/dbraw/zinc/63/45/86/979634586.db2.gz JVSUTQGDLXIQKV-HDJSIYSDSA-N 2 0 248.374 1.112 20 0 BDADRP CC(C)C[N@H+](CCCC[NH3+])[C@H]1CC[C@H]([NH3+])CC1 ZINC001236552564 979635902 /nfs/dbraw/zinc/63/59/02/979635902.db2.gz XYOZVOOIGKVFKG-HDJSIYSDSA-N 3 0 241.423 1.953 20 0 BDADRP CC[C@H]([NH3+])CN1CCCC[C@@](C)(C[NH3+])C1 ZINC001206541718 979642444 /nfs/dbraw/zinc/64/24/44/979642444.db2.gz IFNACGKQOJMWLV-RYUDHWBXSA-N 2 0 213.369 1.175 20 0 BDADRP C[C@]1(C[NH3+])CCCC[N@H+](CC23CC([NH3+])(C2)C3)C1 ZINC001206541457 979643450 /nfs/dbraw/zinc/64/34/50/979643450.db2.gz HRQGOAJBBIHBSN-IYXRBSQSSA-N 3 0 237.391 1.319 20 0 BDADRP C[C@@]1(C[NH3+])CCCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC001206541713 979643888 /nfs/dbraw/zinc/64/38/88/979643888.db2.gz IFLYDCLYPCQZSA-KGLIPLIRSA-N 3 0 239.407 1.437 20 0 BDADRP C[C@@]1(C[NH3+])CCCC[N@H+](C[C@H]2CCCO2)C1 ZINC001206542137 979646669 /nfs/dbraw/zinc/64/66/69/979646669.db2.gz SETURLQEQVSHPP-OLZOCXBDSA-N 2 0 226.364 1.616 20 0 BDADRP CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]C(C)C)[NH+](C)C ZINC001277986663 979672706 /nfs/dbraw/zinc/67/27/06/979672706.db2.gz BHZYKJAMAUNMIY-NEPJUHHUSA-N 2 0 243.395 1.172 20 0 BDADRP C[NH2+][C@@]12CC[C@@]([NH2+]C[C@H](C)CO)(C1)CCC2 ZINC001277993783 979687366 /nfs/dbraw/zinc/68/73/66/979687366.db2.gz BRRJINDIWKGYNG-RWMBFGLXSA-N 2 0 226.364 1.269 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC[C@H]3CCCC[NH2+]3)C[C@H]12 ZINC001236821651 979745408 /nfs/dbraw/zinc/74/54/08/979745408.db2.gz WARWIKMLZKFUFV-YIYPIFLZSA-N 3 0 237.391 1.188 20 0 BDADRP C[C@@]1([NH3+])CCC[N@H+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC001205257208 979755300 /nfs/dbraw/zinc/75/53/00/979755300.db2.gz UAXJDMVAHBAVBM-ZIAGYGMSSA-N 3 0 239.407 1.579 20 0 BDADRP CCCC[NH+]1CCC([N@H+](C)CCCCO)CC1 ZINC001236849349 979759934 /nfs/dbraw/zinc/75/99/34/979759934.db2.gz WAXKURARQBCJHK-UHFFFAOYSA-N 2 0 242.407 1.955 20 0 BDADRP CC[C@H]([NH3+])C[N@H+](C)CCCCCC[NH3+] ZINC001236865872 979769272 /nfs/dbraw/zinc/76/92/72/979769272.db2.gz RNBBANHJVVJXGS-NSHDSACASA-N 3 0 201.358 1.175 20 0 BDADRP CC[C@H]([NH3+])CN(C)CCC[NH+]1CCCCC1 ZINC001236866085 979770417 /nfs/dbraw/zinc/77/04/17/979770417.db2.gz RXYDTFIZTNRSCB-ZDUSSCGKSA-N 2 0 227.396 1.532 20 0 BDADRP CC[NH2+][C@@H](C)C(=O)N[C@H](C)CC[NH+](CC)CC ZINC001342632715 979847117 /nfs/dbraw/zinc/84/71/17/979847117.db2.gz ODDLJYNEHTUSAY-NEPJUHHUSA-N 2 0 243.395 1.221 20 0 BDADRP CC[NH2+][C@H](C)C(=O)N[C@@H](C)CC[NH+](CC)CC ZINC001342632716 979847535 /nfs/dbraw/zinc/84/75/35/979847535.db2.gz ODDLJYNEHTUSAY-NWDGAFQWSA-N 2 0 243.395 1.221 20 0 BDADRP C1=C2[NH2+]CCN(C[C@H]3CCC[NH2+]C3)[C@@H]2CCC1 ZINC001237218586 979848797 /nfs/dbraw/zinc/84/87/97/979848797.db2.gz JJUUGQGLLSOTQH-GXTWGEPZSA-N 2 0 235.375 1.328 20 0 BDADRP O=c1[nH]cccc1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237380019 979878140 /nfs/dbraw/zinc/87/81/40/979878140.db2.gz DXUQFHAINTXCJC-AAEUAGOBSA-N 2 0 247.342 1.361 20 0 BDADRP Cc1coc(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)n1 ZINC001237638068 979987262 /nfs/dbraw/zinc/98/72/62/979987262.db2.gz KLTMUXFDZJRLGB-NEPJUHHUSA-N 2 0 235.331 1.367 20 0 BDADRP CC(C)CC[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001184387965 980058620 /nfs/dbraw/zinc/05/86/20/980058620.db2.gz OCCXOEJXKHLHGN-FRRDWIJNSA-N 2 0 210.365 1.962 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CC(C(F)F)C3)[C@@H]2C1 ZINC001184389158 980062548 /nfs/dbraw/zinc/06/25/48/980062548.db2.gz VIHOCNCPJBEKFK-NPDAHYRHSA-N 2 0 244.329 1.960 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]C[C@@H](C)OC ZINC001184417316 980080607 /nfs/dbraw/zinc/08/06/07/980080607.db2.gz AKKFSYPURKOMFG-VXGBXAGGSA-N 2 0 216.369 1.731 20 0 BDADRP C[NH+](C)CCc1cnn(CC[NH+]2CCCC2)c1 ZINC001250158252 980113218 /nfs/dbraw/zinc/11/32/18/980113218.db2.gz STUNZUPIZWGIFX-UHFFFAOYSA-N 2 0 236.363 1.083 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)C2([NH2+]C)CCC2)cc1 ZINC001343505614 980134690 /nfs/dbraw/zinc/13/46/90/980134690.db2.gz OCDCPTDITYGYAV-UHFFFAOYSA-N 2 0 247.342 1.487 20 0 BDADRP CC1(O)CC[NH+](Cc2cccc3cncn32)CC1 ZINC001238104729 980155127 /nfs/dbraw/zinc/15/51/27/980155127.db2.gz YYLBJWKZQGKASG-UHFFFAOYSA-N 2 0 245.326 1.681 20 0 BDADRP Cc1ncncc1C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001238178475 980211421 /nfs/dbraw/zinc/21/14/21/980211421.db2.gz MILPXHYOKHCDHN-UHFFFAOYSA-N 2 0 246.358 1.313 20 0 BDADRP CC[C@H](C)CCC(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001185573766 980252546 /nfs/dbraw/zinc/25/25/46/980252546.db2.gz QQBCRCQYQSRRDF-JTQLQIEISA-N 2 0 242.367 1.274 20 0 BDADRP C[N@@H+]1CCc2ncnc(C3=CCC[NH2+]CC3)c2C1 ZINC001238940974 980378138 /nfs/dbraw/zinc/37/81/38/980378138.db2.gz RTHSYECBJPWWJK-UHFFFAOYSA-N 2 0 244.342 1.231 20 0 BDADRP CC(C)[N@H+](C)CCCNC[C@](C)(O)C(F)F ZINC001346179639 980778475 /nfs/dbraw/zinc/77/84/75/980778475.db2.gz JSBYQUFHDVUHMD-NSHDSACASA-N 2 0 238.322 1.322 20 0 BDADRP OC1(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CCCCCC1 ZINC001190436693 980875043 /nfs/dbraw/zinc/87/50/43/980875043.db2.gz HKLNNJHDVZXSPR-STQMWFEESA-N 2 0 238.375 1.223 20 0 BDADRP [NH3+]Cc1cncc(-c2[nH+]ccc3c2CCN3)c1 ZINC001239786638 980919122 /nfs/dbraw/zinc/91/91/22/980919122.db2.gz LTUHFIYZJZDGEH-UHFFFAOYSA-N 2 0 226.283 1.570 20 0 BDADRP [NH3+]Cc1cncc(-c2ccccc2C[NH3+])c1 ZINC001239797616 980936523 /nfs/dbraw/zinc/93/65/23/980936523.db2.gz CRTTUZJJZOTYGB-UHFFFAOYSA-N 2 0 213.284 1.666 20 0 BDADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2ccccn2)CC1 ZINC001205545991 980945431 /nfs/dbraw/zinc/94/54/31/980945431.db2.gz ODKKJNXFXRHEHT-CYBMUJFWSA-N 2 0 237.322 1.735 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2CCCCO2)CC[C@H]1C[NH3+] ZINC001205599891 981153358 /nfs/dbraw/zinc/15/33/58/981153358.db2.gz AMIDXGNRHNTFIV-RDBSUJKOSA-N 2 0 240.391 1.862 20 0 BDADRP CC[C@H](N)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205604860 981182141 /nfs/dbraw/zinc/18/21/41/981182141.db2.gz YHLOYQBVWGRLNF-UTUOFQBUSA-N 2 0 213.369 1.031 20 0 BDADRP Nc1cc[nH+]c(-c2ccc3c(c2)CC[NH2+]C3)c1 ZINC001240452937 981389287 /nfs/dbraw/zinc/38/92/87/981389287.db2.gz OKHSGBAGCIOUKE-UHFFFAOYSA-N 2 0 225.295 1.977 20 0 BDADRP C[NH+](C)Cc1cccc(C2=CC[NH2+]CC2)n1 ZINC001240466296 981394556 /nfs/dbraw/zinc/39/45/56/981394556.db2.gz ATBLCNILLKVTNU-UHFFFAOYSA-N 2 0 217.316 1.520 20 0 BDADRP C[C@H]1CC[N@H+](Cc2cccc(N)n2)CC[C@@H]1C[NH3+] ZINC001205638821 981413090 /nfs/dbraw/zinc/41/30/90/981413090.db2.gz SGCUCAMXGZQNAF-NWDGAFQWSA-N 2 0 248.374 1.471 20 0 BDADRP [NH3+][C@H]1CCCC[C@@H]1c1nc(C2([NH3+])CCC2)no1 ZINC001349303563 981528341 /nfs/dbraw/zinc/52/83/41/981528341.db2.gz WPPRQADMOSZXBH-IUCAKERBSA-N 2 0 236.319 1.392 20 0 BDADRP c1cc(C2=CCC[NH2+]C2)nc2c1C[NH2+]CC2 ZINC001240650041 981556061 /nfs/dbraw/zinc/55/60/61/981556061.db2.gz CVENJSQCIJMJEJ-UHFFFAOYSA-N 2 0 215.300 1.104 20 0 BDADRP [NH3+]CCc1cccc(C2=CCC[NH2+]C2)c1 ZINC001240668866 981578556 /nfs/dbraw/zinc/57/85/56/981578556.db2.gz FEXBGBBGPQLFTM-UHFFFAOYSA-N 2 0 202.301 1.565 20 0 BDADRP c1cnc([C@@H]2CC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)cn1 ZINC001580896697 981735422 /nfs/dbraw/zinc/73/54/22/981735422.db2.gz NNAFIUSFCMFTGY-CHWSQXEVSA-N 2 0 246.358 1.266 20 0 BDADRP CC1(C)C[C@@H]([NH2+]CCCC[NH3+])C[C@@H]([NH3+])C1 ZINC001350959181 982139258 /nfs/dbraw/zinc/13/92/58/982139258.db2.gz WXYOZMGTIYYVGA-MNOVXSKESA-N 3 0 213.369 1.221 20 0 BDADRP C[N@H+]1CC=C(c2cccnc2OC2C[NH2+]C2)CC1 ZINC001241332853 982497665 /nfs/dbraw/zinc/49/76/65/982497665.db2.gz LSDJAVCIMHQOQQ-UHFFFAOYSA-N 2 0 245.326 1.151 20 0 BDADRP CCn1cncc1CN1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001205854606 982873501 /nfs/dbraw/zinc/87/35/01/982873501.db2.gz KQRZXEUHSRLJKS-RYUDHWBXSA-N 2 0 236.363 1.462 20 0 BDADRP CC(C)OCCC[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000690529121 983009536 /nfs/dbraw/zinc/00/95/36/983009536.db2.gz UIXOZSQPEZPBCX-OLZOCXBDSA-N 2 0 228.380 1.718 20 0 BDADRP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC001205905228 983130497 /nfs/dbraw/zinc/13/04/97/983130497.db2.gz ZJNWWDAJWTXZHG-TZMCWYRMSA-N 3 0 239.407 1.435 20 0 BDADRP Cc1cc(N[C@H]2C[N@H+](C3CC3)C[C@H]2C)nc(N)[nH+]1 ZINC001354132222 983170219 /nfs/dbraw/zinc/17/02/19/983170219.db2.gz VRMCGAPWQMBMJN-KCJUWKMLSA-N 2 0 247.346 1.262 20 0 BDADRP [NH3+]Cc1cc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)ccn1 ZINC001242026967 983239961 /nfs/dbraw/zinc/23/99/61/983239961.db2.gz UJIKGNBASICVJW-NEPJUHHUSA-N 2 0 215.300 1.448 20 0 BDADRP CCC[C@@H](C)C[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001201553580 983308587 /nfs/dbraw/zinc/30/85/87/983308587.db2.gz OOSARDMCYQXXDO-CYBMUJFWSA-N 2 0 239.407 1.354 20 0 BDADRP CC[N@H+]1C[C@H]2CN(Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001201581142 983340834 /nfs/dbraw/zinc/34/08/34/983340834.db2.gz OWJMJOUQQQPFSV-KGLIPLIRSA-N 2 0 248.374 1.194 20 0 BDADRP CC[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001201581072 983343826 /nfs/dbraw/zinc/34/38/26/983343826.db2.gz MYOCOAGBULBHAT-UHFFFAOYSA-N 2 0 236.363 1.559 20 0 BDADRP CCCC[N@H+](CCC[NH+](C)C)CCC(=O)OC ZINC001201713803 983421076 /nfs/dbraw/zinc/42/10/76/983421076.db2.gz URSNSEKPFAQRBP-UHFFFAOYSA-N 2 0 244.379 1.603 20 0 BDADRP C[C@@H](CCCC[NH3+])NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC001357471522 983725777 /nfs/dbraw/zinc/72/57/77/983725777.db2.gz FSHSYJMPSKBUKS-TUAOUCFPSA-N 2 0 241.379 1.138 20 0 BDADRP C[C@@H]1C[C@H](C(=O)NCCCCCC[NH3+])CC[NH2+]1 ZINC001357679493 983757047 /nfs/dbraw/zinc/75/70/47/983757047.db2.gz YIQGCWWHHCBBCY-VXGBXAGGSA-N 2 0 241.379 1.010 20 0 BDADRP CC(C)C[C@H](C)[NH+]1CCC2(CC1)C[NH2+]CCO2 ZINC001575531588 984125119 /nfs/dbraw/zinc/12/51/19/984125119.db2.gz SSKVUVTWQRQYBP-ZDUSSCGKSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H](O)C(C)(C)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC001576261894 984156627 /nfs/dbraw/zinc/15/66/27/984156627.db2.gz CEZOBPQKPVOLRG-AXFHLTTASA-N 2 0 214.353 1.253 20 0 BDADRP COCCC[N@@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205981030 984174401 /nfs/dbraw/zinc/17/44/01/984174401.db2.gz BEYBJJXUCGXWQK-NEPJUHHUSA-N 2 0 214.353 1.330 20 0 BDADRP C[C@H]([NH2+]C1CC2(CC([NH3+])C2)C1)[C@@H]1CCOC1 ZINC001576239480 984162132 /nfs/dbraw/zinc/16/21/32/984162132.db2.gz NRJLLDRJFBOKKO-JTARRIQESA-N 2 0 224.348 1.271 20 0 BDADRP C[C@@H](O)C[C@@H]1CCCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC001576273293 984167261 /nfs/dbraw/zinc/16/72/61/984167261.db2.gz UFZOJLQEOBDFLQ-MQYQWHSLSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@@]1([NH2+]CCC[NH2+]C2CC2)CCO[C@@H]1C1CC1 ZINC001576545533 984171786 /nfs/dbraw/zinc/17/17/86/984171786.db2.gz NNDSSCFCROUGJL-ZIAGYGMSSA-N 2 0 238.375 1.676 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC001577124858 984190629 /nfs/dbraw/zinc/19/06/29/984190629.db2.gz UVBIDXPFQKODDS-KISRQWFGSA-N 2 0 224.348 1.127 20 0 BDADRP CCOC(=O)CC(C)(C)C[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC001577939433 984202598 /nfs/dbraw/zinc/20/25/98/984202598.db2.gz IDIHKAGLVKRVRW-XYPYZODXSA-N 2 0 242.363 1.293 20 0 BDADRP CCO[C@@]1(C)C[C@H]1N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001578160957 984205937 /nfs/dbraw/zinc/20/59/37/984205937.db2.gz FVBIFUHSPIEZBB-QCNOEVLYSA-N 2 0 212.337 1.284 20 0 BDADRP CCO[C@@]1(C)C[C@H]1[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001578161216 984206850 /nfs/dbraw/zinc/20/68/50/984206850.db2.gz MSBFBNIUTJXZQB-GJIXENTOSA-N 2 0 210.321 1.023 20 0 BDADRP CC[C@H]1[NH2+]CC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001578241814 984210576 /nfs/dbraw/zinc/21/05/76/984210576.db2.gz MWGLVLGJINWPJN-RQJABVFESA-N 2 0 237.391 1.343 20 0 BDADRP C[C@@H]1C[N@H+](CC2(C)COC2)CCC[C@@H]1C[NH3+] ZINC001205984334 984216344 /nfs/dbraw/zinc/21/63/44/984216344.db2.gz RURHCQDZDMGJAM-VXGBXAGGSA-N 2 0 226.364 1.330 20 0 BDADRP CO[C@H](CC[NH2+]CC1(C[NH3+])CC1)C(F)(F)F ZINC001578901279 984229667 /nfs/dbraw/zinc/22/96/67/984229667.db2.gz RNWJMTGIZIBFNQ-MRVPVSSYSA-N 2 0 240.269 1.282 20 0 BDADRP COC(C)(C)[C@@H](C)[NH2+]CCC1([NH3+])CCOCC1 ZINC001578892601 984231615 /nfs/dbraw/zinc/23/16/15/984231615.db2.gz ADLTULAXBGKENQ-LLVKDONJSA-N 2 0 244.379 1.288 20 0 BDADRP COCC[C@@H]([NH3+])C[NH2+][C@@H](C)CC(C)C ZINC001579002033 984245993 /nfs/dbraw/zinc/24/59/93/984245993.db2.gz NCWXMMKGWXCOBT-WDEREUQCSA-N 2 0 202.342 1.374 20 0 BDADRP COCC[C@@H]([NH3+])C[NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1 ZINC001579000715 984248412 /nfs/dbraw/zinc/24/84/12/984248412.db2.gz BFNMKXOJALKJEE-YVECIDJPSA-N 2 0 226.364 1.376 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+]CCCc1ccco1 ZINC001579003658 984256224 /nfs/dbraw/zinc/25/62/24/984256224.db2.gz KQIXAXQGBRZJPA-NSHDSACASA-N 2 0 226.320 1.166 20 0 BDADRP C[NH2+]Cc1ccc(-c2cc(C[NH2+]C)ncn2)cc1 ZINC001242990507 984354732 /nfs/dbraw/zinc/35/47/32/984354732.db2.gz ODQQQUXVZHXAIT-UHFFFAOYSA-N 2 0 242.326 1.582 20 0 BDADRP C[NH2+]Cc1ccc(-c2c[nH+]ccc2N)cc1 ZINC001242992952 984355498 /nfs/dbraw/zinc/35/54/98/984355498.db2.gz UEEQNOPEPLLTIU-UHFFFAOYSA-N 2 0 213.284 1.881 20 0 BDADRP [NH3+][C@H]1CC12CC([NH2+]C[C@H](O)Cc1ccccc1)C2 ZINC001580164402 984407589 /nfs/dbraw/zinc/40/75/89/984407589.db2.gz IEEOADJWSLWGDQ-FUUBYGMNSA-N 2 0 246.354 1.059 20 0 BDADRP [NH3+][C@H]1CC12CC([NH2+]CC1SCCS1)C2 ZINC001580167233 984408245 /nfs/dbraw/zinc/40/82/45/984408245.db2.gz WBNJTSFSMUUEMI-ZCUBBSJVSA-N 2 0 230.402 1.262 20 0 BDADRP [NH3+][C@H]1CC12CC([NH2+][C@H](CCO)c1ccco1)C2 ZINC001580163849 984410642 /nfs/dbraw/zinc/41/06/42/984410642.db2.gz DXRPZUHLVNTWJZ-FYLGKEKYSA-N 2 0 236.315 1.173 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+]CC[C@H]1CCCCO1)C2 ZINC001580167162 984410855 /nfs/dbraw/zinc/41/08/55/984410855.db2.gz UQBGKQNTAIMPME-QZQSVVMZSA-N 2 0 224.348 1.415 20 0 BDADRP [NH3+]CC1(C[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)CC1 ZINC001580243393 984469270 /nfs/dbraw/zinc/46/92/70/984469270.db2.gz FHDZRXUIGGBJMU-OLZOCXBDSA-N 2 0 238.375 1.112 20 0 BDADRP CCCCC[NH+]1CC2(CN(CC[NH+](C)C)C2)C1 ZINC001275120088 984498215 /nfs/dbraw/zinc/49/82/15/984498215.db2.gz DPCRSGJHPBNJPL-UHFFFAOYSA-N 2 0 239.407 1.356 20 0 BDADRP C1=C(c2ncccc2C[NH+]2CCCC2)C[NH2+]C1 ZINC001243107237 984550457 /nfs/dbraw/zinc/55/04/57/984550457.db2.gz FOCDTHYWRYKENZ-UHFFFAOYSA-N 2 0 229.327 1.664 20 0 BDADRP C[N@@H+]1CCc2cc(C3=CC[NH2+]C3)ccc2C1 ZINC001243112499 984579302 /nfs/dbraw/zinc/57/93/02/984579302.db2.gz ZLTXOKACIALXRO-UHFFFAOYSA-N 2 0 214.312 1.661 20 0 BDADRP CC[NH+](CC)[C@H](C)CNC(=O)CCC(C)(C)[NH3+] ZINC001577697129 984639739 /nfs/dbraw/zinc/63/97/39/984639739.db2.gz DLFCLLRFABQDBA-LLVKDONJSA-N 2 0 243.395 1.350 20 0 BDADRP CC[NH+](CC)[C@H](C)CNC[C@@H]([NH3+])CC(F)F ZINC001577697977 984644221 /nfs/dbraw/zinc/64/42/21/984644221.db2.gz ZZZZBYQTDOKRHV-ZJUUUORDSA-N 2 0 237.338 1.289 20 0 BDADRP CC[N@H+](CC1CC[NH2+]CC1)C(C)(C)C(=O)OC ZINC001577710787 984649937 /nfs/dbraw/zinc/64/99/37/984649937.db2.gz AHRXPYXPMDABAA-UHFFFAOYSA-N 2 0 242.363 1.260 20 0 BDADRP CCN(CCC[NH+]1CCCC1)CC1(C[NH3+])CC1 ZINC001577713199 984656014 /nfs/dbraw/zinc/65/60/14/984656014.db2.gz QXYHEAUENBJHQD-UHFFFAOYSA-N 2 0 239.407 1.533 20 0 BDADRP CC[N@H+](CCc1cccs1)C[C@H](O)CC[NH3+] ZINC001577728705 984685415 /nfs/dbraw/zinc/68/54/15/984685415.db2.gz LYBUYLAFVQLTOL-LLVKDONJSA-N 2 0 242.388 1.322 20 0 BDADRP CC[NH+]1CCC(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC001577763479 984731708 /nfs/dbraw/zinc/73/17/08/984731708.db2.gz CDMOFNLHSDDRJK-OCCSQVGLSA-N 3 0 239.407 1.163 20 0 BDADRP CC[N@@H+]1CCC[C@@H](N[C@@H](CC[NH3+])C(F)F)C1 ZINC001577771073 984779970 /nfs/dbraw/zinc/77/99/70/984779970.db2.gz RLAKUXPHCNVXPS-ZJUUUORDSA-N 2 0 235.322 1.043 20 0 BDADRP CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC001577908365 984819230 /nfs/dbraw/zinc/81/92/30/984819230.db2.gz HEIIOKWFWGQJNU-LMLFDSFASA-N 2 0 242.363 1.290 20 0 BDADRP Cn1cncc1C[N@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001276144711 984819946 /nfs/dbraw/zinc/81/99/46/984819946.db2.gz BRWPTRAADOPAPM-BETUJISGSA-N 2 0 248.374 1.194 20 0 BDADRP CCOC(=O)CC(C)(C)C[NH2+][C@H](C)CC[NH3+] ZINC001577939489 984821397 /nfs/dbraw/zinc/82/13/97/984821397.db2.gz JLLBXSLSYAPOOA-SNVBAGLBSA-N 2 0 230.352 1.293 20 0 BDADRP CCOC(=O)C[C@@](C)([NH2+]C[C@H](C)[NH3+])C(C)C ZINC001577939316 984821999 /nfs/dbraw/zinc/82/19/99/984821999.db2.gz CVMOUDUGIYRXSP-CMPLNLGQSA-N 2 0 230.352 1.291 20 0 BDADRP CCOC(=O)C1(C)CC([NH2+][C@H](C)[C@H](C)[NH3+])C1 ZINC001577925395 984823490 /nfs/dbraw/zinc/82/34/90/984823490.db2.gz INBBRUQHPQJUSI-SKMKEBHYSA-N 2 0 228.336 1.044 20 0 BDADRP CCOC(=O)CC[N@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC001577948561 984827922 /nfs/dbraw/zinc/82/79/22/984827922.db2.gz GMLIGPMRAPLAOK-GFCCVEGCSA-N 2 0 242.363 1.261 20 0 BDADRP CCOC(C)(C)C[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001578071258 984839463 /nfs/dbraw/zinc/83/94/63/984839463.db2.gz CJOCUNHWURMDBF-SQLBVSGCSA-N 2 0 212.337 1.271 20 0 BDADRP Cn1ccc(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)n1 ZINC001276274507 984839391 /nfs/dbraw/zinc/83/93/91/984839391.db2.gz YMBNWUSPIAJNHU-BETUJISGSA-N 2 0 248.374 1.194 20 0 BDADRP CCO[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC001578151428 984853804 /nfs/dbraw/zinc/85/38/04/984853804.db2.gz JLMYEOBCZSMAED-XJFOESAGSA-N 2 0 240.391 1.922 20 0 BDADRP CCO[C@@H]1CCC[C@H]1[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC001578151530 984858091 /nfs/dbraw/zinc/85/80/91/984858091.db2.gz QFPOPQBXKIACKA-JHJVBQTASA-N 2 0 226.364 1.533 20 0 BDADRP CC[C@@H]1OCC[C@H]1[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001578228559 984880976 /nfs/dbraw/zinc/88/09/76/984880976.db2.gz BNSJZZUUGHJQSX-PASYKYNMSA-N 2 0 210.321 1.023 20 0 BDADRP CCc1ccc2c(c1)C[N@@H+](C[C@@](C)(O)C[NH3+])CC2 ZINC001578263787 984914506 /nfs/dbraw/zinc/91/45/06/984914506.db2.gz YCIHNUDXIBYWCV-HNNXBMFYSA-N 2 0 248.370 1.317 20 0 BDADRP CCc1cn(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)cn1 ZINC001578283094 984919434 /nfs/dbraw/zinc/91/94/34/984919434.db2.gz YTWFNEHROATBQW-CHWSQXEVSA-N 2 0 235.331 1.214 20 0 BDADRP C[NH+](C)CCc1ccccc1NC(=O)[C@H]1C[C@H]1[NH3+] ZINC001578418789 985055861 /nfs/dbraw/zinc/05/58/61/985055861.db2.gz HYXSCZONYIXXCE-NWDGAFQWSA-N 2 0 247.342 1.076 20 0 BDADRP CCC[C@H](C)CC[C@H](C)[NH2+]C[C@H](O)C[NH3+] ZINC001257462555 985074126 /nfs/dbraw/zinc/07/41/26/985074126.db2.gz CWMZXIWPYKJFBE-SDDRHHMPSA-N 2 0 216.369 1.501 20 0 BDADRP C[N@H+](C[C@@H]1CCC[C@@H]1O)CC1(C[NH3+])CCC1 ZINC001578451306 985081049 /nfs/dbraw/zinc/08/10/49/985081049.db2.gz GPMMKSHZSQPADT-RYUDHWBXSA-N 2 0 226.364 1.208 20 0 BDADRP C[N@H+](C[C@@H](O)c1ccccn1)CC1CC[NH2+]CC1 ZINC001578457562 985090332 /nfs/dbraw/zinc/09/03/32/985090332.db2.gz BQWZGVGZZVJFDU-CQSZACIVSA-N 2 0 249.358 1.046 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H](N[C@@H]3C[C@H]([NH3+])C3(C)C)[C@@H]2C1 ZINC001578521174 985140435 /nfs/dbraw/zinc/14/04/35/985140435.db2.gz MJYGAVWFDYMWRC-FPYNETTCSA-N 2 0 237.391 1.042 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+]C2CC3(C[C@H]3[NH3+])C2)CC1 ZINC001578523535 985142439 /nfs/dbraw/zinc/14/24/39/985142439.db2.gz MDFPBPBPZBTYHL-MBHSVXNSSA-N 3 0 237.391 1.188 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC001578524475 985147965 /nfs/dbraw/zinc/14/79/65/985147965.db2.gz XCNWFGHCTRXIDI-KGLIPLIRSA-N 3 0 237.391 1.141 20 0 BDADRP C[N@@H+]1CCC[C@@H](NC[C@@H]2CCCCC[NH2+]2)C1 ZINC001578528489 985149585 /nfs/dbraw/zinc/14/95/85/985149585.db2.gz IBFZXSBRAMSIMY-QWHCGFSZSA-N 2 0 225.380 1.202 20 0 BDADRP CN1CC[C@@H]1C[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC001578526040 985150951 /nfs/dbraw/zinc/15/09/51/985150951.db2.gz XXULGFQQJUMKNH-CQSZACIVSA-N 2 0 245.370 1.126 20 0 BDADRP CN1CC[C@H]1C[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC001578526039 985151347 /nfs/dbraw/zinc/15/13/47/985151347.db2.gz XXULGFQQJUMKNH-AWEZNQCLSA-N 2 0 245.370 1.126 20 0 BDADRP CN1CCC[C@H]([NH2+]C[C@@H]2CCC[NH2+]CC2)C1 ZINC001578528645 985158005 /nfs/dbraw/zinc/15/80/05/985158005.db2.gz KCTULFAYXKNPIU-OLZOCXBDSA-N 2 0 225.380 1.060 20 0 BDADRP CN1CC[C@@H]2C[N@H+](CC[C@H]3CCC[NH2+]C3)C[C@@H]21 ZINC001578541113 985175080 /nfs/dbraw/zinc/17/50/80/985175080.db2.gz PUPMXFHQFKSMJY-MCIONIFRSA-N 2 0 237.391 1.012 20 0 BDADRP C[NH2+]C[C@H](O)C[N@@H+]1C[C@H](C)C[C@H]1c1ccccc1 ZINC001578653699 985275229 /nfs/dbraw/zinc/27/52/29/985275229.db2.gz CFNSYNXCCFWOMY-SNPRPXQTSA-N 2 0 248.370 1.650 20 0 BDADRP C[NH2+]C[C@@H](O)C[N@@H+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC001578654347 985276361 /nfs/dbraw/zinc/27/63/61/985276361.db2.gz NBRCQFZWHKCXIG-GRYCIOLGSA-N 2 0 226.364 1.077 20 0 BDADRP CNc1ccccc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC001578763090 985328568 /nfs/dbraw/zinc/32/85/68/985328568.db2.gz AZPWGXLLEUZAGB-GFCCVEGCSA-N 2 0 233.359 1.899 20 0 BDADRP COC(=O)[C@H]1CC[C@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001578788338 985355760 /nfs/dbraw/zinc/35/57/60/985355760.db2.gz IZIXQOSYRKHUDJ-YFKTTZPYSA-N 2 0 240.347 1.045 20 0 BDADRP CO[C@H](C)C[NH2+]Cc1ccc(C[NH3+])cc1F ZINC001578903192 985500117 /nfs/dbraw/zinc/50/01/17/985500117.db2.gz SXTSUGLBLVLYDV-SECBINFHSA-N 2 0 226.295 1.409 20 0 BDADRP C[C@@H]1COC[C@H]1[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000688028879 985500883 /nfs/dbraw/zinc/50/08/83/985500883.db2.gz IMWBYNBRCGOEPN-IJLUTSLNSA-N 2 0 212.337 1.095 20 0 BDADRP CO[C@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(C)C1)C1CCC1 ZINC001578908959 985502359 /nfs/dbraw/zinc/50/23/59/985502359.db2.gz NKKSODFEHGIKQN-MCIONIFRSA-N 2 0 238.375 1.343 20 0 BDADRP CO[C@H](C[NH2+][C@H]1C[C@H]([NH3+])C1)CC(C)C ZINC001578912343 985512886 /nfs/dbraw/zinc/51/28/86/985512886.db2.gz CSZXXSSZVLBCCJ-DCAQKATOSA-N 2 0 200.326 1.127 20 0 BDADRP CO[C@@H](C[NH2+]C[C@H]1CC[C@@H]([NH3+])C1)C1CC1 ZINC001578913230 985514642 /nfs/dbraw/zinc/51/46/42/985514642.db2.gz SRBRVSBMBOUILW-WCQGTBRESA-N 2 0 212.337 1.128 20 0 BDADRP COC1(C[C@@H](C)[NH2+][C@H]2C[C@H]([NH3+])C2)CCC1 ZINC001578926403 985528200 /nfs/dbraw/zinc/52/82/00/985528200.db2.gz GFRIHAAPJWMIPB-GMTAPVOTSA-N 2 0 212.337 1.413 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H]([NH3+])C2)C12CCC2 ZINC001578935843 985535741 /nfs/dbraw/zinc/53/57/41/985535741.db2.gz LHACVNJMVCAWTD-ZRUFSTJUSA-N 2 0 210.321 1.023 20 0 BDADRP COC1(CC[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)CCC1 ZINC001578927366 985537201 /nfs/dbraw/zinc/53/72/01/985537201.db2.gz WLGKMBLFPBHXOW-GXTWGEPZSA-N 2 0 238.375 1.759 20 0 BDADRP CO[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)C1 ZINC001578938636 985555909 /nfs/dbraw/zinc/55/59/09/985555909.db2.gz UCEVGOPEUOTFJA-YVECIDJPSA-N 2 0 224.348 1.095 20 0 BDADRP COC[C@H](C)[NH2+]C[C@H]1CCC[NH2+]CC1 ZINC001578961417 985585009 /nfs/dbraw/zinc/58/50/09/985585009.db2.gz XHVCBFZJYSAORW-QWRGUYRKSA-N 2 0 200.326 1.001 20 0 BDADRP COC[C@H](CC1CCOCC1)[NH2+][C@H](C)CC[NH3+] ZINC001578961430 985588003 /nfs/dbraw/zinc/58/80/03/985588003.db2.gz XONDQZJEEIUKPA-YPMHNXCESA-N 2 0 244.379 1.145 20 0 BDADRP COCC[C@@H]([NH3+])C[N@H+](CCOC)C1CCCC1 ZINC001579000305 985642297 /nfs/dbraw/zinc/64/22/97/985642297.db2.gz RSECJLIKCOMZDN-GFCCVEGCSA-N 2 0 244.379 1.241 20 0 BDADRP C[NH+](C)Cc1cncc(C2=C[NH2+]CCC2)c1 ZINC001243952141 985660845 /nfs/dbraw/zinc/66/08/45/985660845.db2.gz MGEQYHNXIFSTQM-UHFFFAOYSA-N 2 0 217.316 1.868 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+][C@H]1C[C@@H](OC(C)(C)C)C1 ZINC001579004386 985662078 /nfs/dbraw/zinc/66/20/78/985662078.db2.gz TWUOUJHGQRSUQX-SDDRHHMPSA-N 2 0 244.379 1.286 20 0 BDADRP C[C@@H]1CCC[C@H](C[NH2+]CC2CC[NH+](C)CC2)O1 ZINC000688854524 985742673 /nfs/dbraw/zinc/74/26/73/985742673.db2.gz UJNQJBDJZXVDEM-TZMCWYRMSA-N 2 0 240.391 1.875 20 0 BDADRP CO[C@H]1C[C@@H]([N@H+](C)C[C@@H]2CCC[NH2+]C2)C1 ZINC001579133481 985807963 /nfs/dbraw/zinc/80/79/63/985807963.db2.gz QYXNHPVOVPKLGX-UTUOFQBUSA-N 2 0 212.337 1.095 20 0 BDADRP COc1cccc(C[C@@H](C)[NH2+][C@H]2C[C@@H]([NH3+])C2)n1 ZINC001579269375 985829386 /nfs/dbraw/zinc/82/93/86/985829386.db2.gz SQKIWFDHWVSKDM-FOGDFJRCSA-N 2 0 235.331 1.101 20 0 BDADRP CSC1(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC001579365888 985860649 /nfs/dbraw/zinc/86/06/49/985860649.db2.gz WGFJIERNBYCTEJ-PWSUYJOCSA-N 2 0 226.389 1.695 20 0 BDADRP CS[C@H]1CC[C@@H]1N[C@H]1CC[NH2+][C@@H]1C ZINC001579366920 985861976 /nfs/dbraw/zinc/86/19/76/985861976.db2.gz GOCWBDGHMZUXFU-KATARQTJSA-N 2 0 200.351 1.220 20 0 BDADRP C[C@@H]([NH2+]C[C@](C)(O)C[NH3+])C1CCCCCC1 ZINC001579414484 985888150 /nfs/dbraw/zinc/88/81/50/985888150.db2.gz GQUIAKFNOYGHJR-DGCLKSJQSA-N 2 0 228.380 1.645 20 0 BDADRP C[C@H](CC1CC1)[NH2+]CCN1CCC[N@H+](C)CC1 ZINC001258452143 985895274 /nfs/dbraw/zinc/89/52/74/985895274.db2.gz ZCSDWYLYQSNMQH-CYBMUJFWSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC001579454478 985939862 /nfs/dbraw/zinc/93/98/62/985939862.db2.gz FPKOLCJQWALNIQ-FRRDWIJNSA-N 2 0 240.391 1.325 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C[C@]1(C)CCCCO1 ZINC001579453877 985940264 /nfs/dbraw/zinc/94/02/64/985940264.db2.gz PKBNAGSOTLOMIM-MCIONIFRSA-N 2 0 240.391 1.781 20 0 BDADRP Cc1c(N)cc[nH+]c1-c1cccc(OCC[NH3+])c1 ZINC001244321614 985948909 /nfs/dbraw/zinc/94/89/09/985948909.db2.gz SHTDSSYSVFQSGD-UHFFFAOYSA-N 2 0 243.310 1.977 20 0 BDADRP [NH3+]CCOc1cccc(-c2cc(C[NH3+])ccn2)c1 ZINC001244319742 985949303 /nfs/dbraw/zinc/94/93/03/985949303.db2.gz VDNRWEUDZORUAL-UHFFFAOYSA-N 2 0 243.310 1.545 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CCOC(C)(C)C1 ZINC001579467387 985964731 /nfs/dbraw/zinc/96/47/31/985964731.db2.gz AQHSMTLQKAMLCW-OUAUKWLOSA-N 2 0 212.337 1.142 20 0 BDADRP Cc1c[nH]c(=O)c(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC001579544010 986077727 /nfs/dbraw/zinc/07/77/27/986077727.db2.gz OJPCQVSEWOXLOS-NEPJUHHUSA-N 2 0 247.342 1.455 20 0 BDADRP CCC[NH+]1CCC([N@@H+]2CC[C@](C)(O)C2)CC1 ZINC001258772600 986157774 /nfs/dbraw/zinc/15/77/74/986157774.db2.gz UQLBLILWKGCKJF-ZDUSSCGKSA-N 2 0 226.364 1.318 20 0 BDADRP Cc1ccc(CC[NH2+][C@@H]2COC3(C[NH2+]C3)C2)cc1 ZINC001579687737 986173855 /nfs/dbraw/zinc/17/38/55/986173855.db2.gz NWJNDOVGNPFOND-AWEZNQCLSA-N 2 0 246.354 1.258 20 0 BDADRP Cc1ccc(C[NH2+]C/C=C\C[NH3+])c(F)c1 ZINC001579696718 986185942 /nfs/dbraw/zinc/18/59/42/986185942.db2.gz BKJUKXPAPCSXLL-IHWYPQMZSA-N 2 0 208.280 1.739 20 0 BDADRP Cc1ccncc1C[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001579814890 986235810 /nfs/dbraw/zinc/23/58/10/986235810.db2.gz SEIFPPMMVGYSAV-CPCZMJQVSA-N 2 0 217.316 1.359 20 0 BDADRP Cc1cnc([C@H](C)[N@H+](C)CC2CC[NH2+]CC2)o1 ZINC001579818777 986239637 /nfs/dbraw/zinc/23/96/37/986239637.db2.gz FUCBRAPAHWRLBD-NSHDSACASA-N 2 0 237.347 1.975 20 0 BDADRP Cc1cnc([C@@H](C)N2C[C@@H](C[NH3+])[C@H](C)C2)cn1 ZINC001579819789 986240729 /nfs/dbraw/zinc/24/07/29/986240729.db2.gz RQQJOPPJPDNPJT-YUSALJHKSA-N 2 0 234.347 1.373 20 0 BDADRP Cc1nnc([C@@H]2CC[N@H+](C[C@H]3CC[C@@H]([NH3+])C3)C2)[nH]1 ZINC001579853052 986275180 /nfs/dbraw/zinc/27/51/80/986275180.db2.gz NRHFETGSKQPTEM-QJPTWQEYSA-N 2 0 249.362 1.030 20 0 BDADRP C[C@H]1CCC[C@H]([NH2+]CCC[N@H+](C)CCO)C1 ZINC001258817082 986279841 /nfs/dbraw/zinc/27/98/41/986279841.db2.gz MTSCGWYNYHAKLG-STQMWFEESA-N 2 0 228.380 1.469 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@@H](O)C1 ZINC001258907032 986308455 /nfs/dbraw/zinc/30/84/55/986308455.db2.gz DEXITYAKJNNTHJ-UONOGXRCSA-N 2 0 242.407 1.954 20 0 BDADRP Cc1nn(C)c(C)c1C[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC001579891853 986308389 /nfs/dbraw/zinc/30/83/89/986308389.db2.gz ONYKSAKYNPAYOJ-NWDGAFQWSA-N 2 0 236.363 1.254 20 0 BDADRP Cc1nnc([C@H](C)[N@H+](C)CC2CC[NH2+]CC2)o1 ZINC001579897548 986319234 /nfs/dbraw/zinc/31/92/34/986319234.db2.gz UFQJOKAWMKIYRZ-VIFPVBQESA-N 2 0 238.335 1.370 20 0 BDADRP Cn1cc([C@@H]2C[C@H]2C[N@@H+]2CCC[C@H](C[NH3+])C2)cn1 ZINC001579970452 986374947 /nfs/dbraw/zinc/37/49/47/986374947.db2.gz XJRBWEBCFZVCIW-MBNYWOFBSA-N 2 0 248.374 1.194 20 0 BDADRP Cn1ncc(C[NH3+])c1C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC001580002497 986402384 /nfs/dbraw/zinc/40/23/84/986402384.db2.gz WEDHTUITCFWLID-LBPRGKRZSA-N 2 0 248.374 1.501 20 0 BDADRP Cn1nccc1C[NH2+]Cc1ccccc1C[NH3+] ZINC001580013403 986411336 /nfs/dbraw/zinc/41/13/36/986411336.db2.gz QMSRZVSOUYZWOC-UHFFFAOYSA-N 2 0 230.315 1.169 20 0 BDADRP FC(F)(F)[C@@H]1CC=CC[C@H]1C[NH2+]CC1C[NH2+]C1 ZINC001580021230 986416301 /nfs/dbraw/zinc/41/63/01/986416301.db2.gz NQUMEPCRDQQKCN-WDEREUQCSA-N 2 0 248.292 1.940 20 0 BDADRP FC1(F)[C@H]2CC[N@H+](CCC3C[NH2+]C3)C[C@H]21 ZINC001580023827 986428556 /nfs/dbraw/zinc/42/85/56/986428556.db2.gz HLHBBXFRAYVGQL-VHSXEESVSA-N 2 0 216.275 1.183 20 0 BDADRP [NH3+][C@H](C[NH2+][C@@H](CO)CC1CCC1)CC(F)F ZINC001580133015 986599773 /nfs/dbraw/zinc/59/97/73/986599773.db2.gz SRXBCDUUERUEJS-VHSXEESVSA-N 2 0 236.306 1.110 20 0 BDADRP [NH3+]C1(CC[NH2+]C[C@@H]2CCSC2)CCOCC1 ZINC001580144569 986617084 /nfs/dbraw/zinc/61/70/84/986617084.db2.gz KMMQGQIRVGHBKB-NSHDSACASA-N 2 0 244.404 1.227 20 0 BDADRP [NH3+]C1(C[NH2+]C2CCOCC2)CCCCC1 ZINC001580152867 986622447 /nfs/dbraw/zinc/62/24/47/986622447.db2.gz VIWINHGBICLHJG-UHFFFAOYSA-N 2 0 212.337 1.417 20 0 BDADRP [NH3+]C1CC([NH2+][C@@H](C2CCC2)[C@H]2CCCO2)C1 ZINC001580167053 986643365 /nfs/dbraw/zinc/64/33/65/986643365.db2.gz ZEEQUUUPBMSZHZ-TUUUFIMRSA-N 2 0 224.348 1.413 20 0 BDADRP C[C@@H]1CC[N@@H+]([C@H]2CCC[NH+](C)CC2)C[C@]1(C)O ZINC001254516441 986649572 /nfs/dbraw/zinc/64/95/72/986649572.db2.gz MJTKZWHPKMWMOB-RDBSUJKOSA-N 2 0 240.391 1.564 20 0 BDADRP [NH3+]C[C@@]12C[N@H+](Cc3cn[nH]c3)C[C@@H]1CCCC2 ZINC001580254498 986712263 /nfs/dbraw/zinc/71/22/63/986712263.db2.gz CZCCNACGBKZQAM-STQMWFEESA-N 2 0 234.347 1.361 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@@H]2C[C@@H]3CC[C@H]2O3)CC1 ZINC001580261419 986715065 /nfs/dbraw/zinc/71/50/65/986715065.db2.gz ZSCDLZRHGXTZAR-FQLQODGNSA-N 2 0 224.348 1.413 20 0 BDADRP [NH3+]CC[C@@H](O)C[N@@H+]1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001580284966 986731995 /nfs/dbraw/zinc/73/19/95/986731995.db2.gz YXOGHPIUMNVHFJ-MJBXVCDLSA-N 2 0 238.375 1.207 20 0 BDADRP c1nc2c(n1[C@H]1CC3CC[NH+](CC3)C1)C[NH2+]CC2 ZINC001254854035 986732348 /nfs/dbraw/zinc/73/23/48/986732348.db2.gz UZKRVDMUVQDJHI-LBPRGKRZSA-N 2 0 246.358 1.186 20 0 BDADRP [NH3+]CCCC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC001580294829 986736514 /nfs/dbraw/zinc/73/65/14/986736514.db2.gz MRQLZPFVRWXWHU-AVGNSLFASA-N 2 0 238.375 1.663 20 0 BDADRP [NH3+]Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2CO)c1 ZINC001580342803 986780294 /nfs/dbraw/zinc/78/02/94/986780294.db2.gz IWUZNXUPTVOWDC-ZIAGYGMSSA-N 2 0 234.343 1.396 20 0 BDADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C2CCOCC2)C1 ZINC001255030778 986782540 /nfs/dbraw/zinc/78/25/40/986782540.db2.gz MQZHJKIUMOVLSE-LBPRGKRZSA-N 2 0 226.364 1.487 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)Nc1ccc2c[nH+]cn2c1 ZINC001580376334 986807065 /nfs/dbraw/zinc/80/70/65/986807065.db2.gz RDBSSPNQUUJEPB-NWDGAFQWSA-N 2 0 244.298 1.400 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H](CO)C2CCCC2)C1 ZINC001580389894 986816549 /nfs/dbraw/zinc/81/65/49/986816549.db2.gz WEIFOBISIRFCEJ-UHTWSYAYSA-N 2 0 226.364 1.255 20 0 BDADRP CC[NH+]1CCC(N2CCCC[C@H](C[NH3+])C2)CC1 ZINC000383652601 986820406 /nfs/dbraw/zinc/82/04/06/986820406.db2.gz DVJBSQSKHZMXNI-CYBMUJFWSA-N 2 0 239.407 1.532 20 0 BDADRP CCC[N@H+](C[C@@H](O)C[NH+](CC)CC)CC1CC1 ZINC000383573867 986820543 /nfs/dbraw/zinc/82/05/43/986820543.db2.gz KOVMOZJXPSYAJJ-AWEZNQCLSA-N 2 0 242.407 1.811 20 0 BDADRP CC[NH+](CC)C[C@H](O)C[NH+]1[C@H](C)CCC[C@H]1C ZINC000383746168 986825212 /nfs/dbraw/zinc/82/52/12/986825212.db2.gz JDVXYCRYLCWVTK-MCIONIFRSA-N 2 0 242.407 1.952 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+]C[C@@H]2C[C@H]2C2CCC2)C1 ZINC001580421904 986839121 /nfs/dbraw/zinc/83/91/21/986839121.db2.gz VKLHSJZKGNWMGE-SYEHKZFSSA-N 2 0 208.349 1.750 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cccc3c2CCOC3)C1 ZINC001580422649 986839165 /nfs/dbraw/zinc/83/91/65/986839165.db2.gz BIFJVQMKZNEUNY-BETUJISGSA-N 2 0 232.327 1.339 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)OCCO3)C1 ZINC001580423022 986842605 /nfs/dbraw/zinc/84/26/05/986842605.db2.gz MHNOFVPERXUSCU-PHIMTYICSA-N 2 0 234.299 1.037 20 0 BDADRP C[C@@H]1CC[C@H](N2CCC([NH+]3CCC3)CC2)C[NH2+]1 ZINC000700396041 986856853 /nfs/dbraw/zinc/85/68/53/986856853.db2.gz UDSVEWMQBDPUGQ-OCCSQVGLSA-N 2 0 237.391 1.297 20 0 BDADRP C[NH+](C)Cc1cccc(-c2ccncc2C[NH3+])n1 ZINC001245558534 986950946 /nfs/dbraw/zinc/95/09/46/986950946.db2.gz UMJDGPSMAYLSRQ-UHFFFAOYSA-N 2 0 242.326 1.664 20 0 BDADRP C[NH+](C)Cc1ccnc(-c2ccncc2C[NH3+])c1 ZINC001245558530 986951624 /nfs/dbraw/zinc/95/16/24/986951624.db2.gz UDOWKBUNTPZCBV-UHFFFAOYSA-N 2 0 242.326 1.664 20 0 BDADRP Nc1cc[nH+]cc1-c1ccncc1C[NH3+] ZINC001245560806 986953427 /nfs/dbraw/zinc/95/34/27/986953427.db2.gz UNWBOTURASYAGU-UHFFFAOYSA-N 2 0 200.245 1.015 20 0 BDADRP CC[N@H+](CCCC[NH3+])C1CCOCC1 ZINC000716379902 986971285 /nfs/dbraw/zinc/97/12/85/986971285.db2.gz MSDOAFMOTLVJEK-UHFFFAOYSA-N 2 0 200.326 1.226 20 0 BDADRP CN1CCC[C@H]([NH2+]CC23CC[NH+](CC2)CC3)C1 ZINC001255471750 986974270 /nfs/dbraw/zinc/97/42/70/986974270.db2.gz GCJKWWPGCNXRIX-ZDUSSCGKSA-N 2 0 237.391 1.156 20 0 BDADRP COC[C@H](C)[N@@H+]1CCCC[C@H](CCC[NH3+])C1 ZINC001255566237 987020191 /nfs/dbraw/zinc/02/01/91/987020191.db2.gz DXHONKYZFFNOSE-QWHCGFSZSA-N 2 0 228.380 1.862 20 0 BDADRP COC[C@H](C)[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC001255580499 987026986 /nfs/dbraw/zinc/02/69/86/987026986.db2.gz ZSLXAKFFPNKXFU-ZDUSSCGKSA-N 2 0 249.358 1.547 20 0 BDADRP C[C@H]([NH3+])c1ccn(C2CC[NH+](C3CC3)CC2)n1 ZINC001256068697 987124447 /nfs/dbraw/zinc/12/44/47/987124447.db2.gz GEDXOSDVPYYNLY-JTQLQIEISA-N 2 0 234.347 1.702 20 0 BDADRP CCCCC[C@H](O)C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001245982545 987255910 /nfs/dbraw/zinc/25/59/10/987255910.db2.gz FWNXGWOTIPVJIZ-OLZOCXBDSA-N 2 0 228.380 1.517 20 0 BDADRP C[C@H]([NH3+])CC[NH2+]C[C@@H](O)c1ccc(F)c(F)c1 ZINC001245990858 987268779 /nfs/dbraw/zinc/26/87/79/987268779.db2.gz BKSWWKBJLYDLRD-QPUJVOFHSA-N 2 0 244.285 1.325 20 0 BDADRP CCCC[C@@H](O)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC001245992948 987270492 /nfs/dbraw/zinc/27/04/92/987270492.db2.gz FZFOVUUWWUSBQK-QJPTWQEYSA-N 2 0 214.353 1.397 20 0 BDADRP CCCCC[C@@H](O)C[NH2+]C[C@H]([NH3+])CC ZINC001246005099 987282864 /nfs/dbraw/zinc/28/28/64/987282864.db2.gz QRQPGGHRGXLPGQ-GHMZBOCLSA-N 2 0 202.342 1.255 20 0 BDADRP CCC[N@@H+]1CC[C@H](CN[C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000693030510 987302386 /nfs/dbraw/zinc/30/23/86/987302386.db2.gz HUBRFBSTBNSSFC-BFHYXJOUSA-N 2 0 239.407 1.448 20 0 BDADRP CC(C)[C@H](O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001246019906 987305765 /nfs/dbraw/zinc/30/57/65/987305765.db2.gz IYADGHULFSODLI-YNEHKIRRSA-N 2 0 228.380 1.310 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693701564 987313108 /nfs/dbraw/zinc/31/31/08/987313108.db2.gz CTTMYWIZPOICRR-IEECTRCBSA-N 2 0 240.391 1.512 20 0 BDADRP CCOCCC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693706468 987313438 /nfs/dbraw/zinc/31/34/38/987313438.db2.gz OYRDMPRSMRSEKN-FRRDWIJNSA-N 2 0 240.391 1.779 20 0 BDADRP CC(C)(C)[C@@H](O)C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246023079 987313422 /nfs/dbraw/zinc/31/34/22/987313422.db2.gz RZTWDFNUDABOGW-AAEUAGOBSA-N 2 0 228.380 1.597 20 0 BDADRP CC(C)(CO)C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693709381 987313559 /nfs/dbraw/zinc/31/35/59/987313559.db2.gz VXWLVKKOXIEOKL-GRYCIOLGSA-N 2 0 240.391 1.371 20 0 BDADRP CCCCC[C@H](O)C[NH+]1CCC(F)(C[NH3+])CC1 ZINC001246025969 987323017 /nfs/dbraw/zinc/32/30/17/987323017.db2.gz HQJOONCHAYFIDW-LBPRGKRZSA-N 2 0 246.370 1.690 20 0 BDADRP C[C@H]1C[N@H+](CC(C)(C)O)CCC[C@H]1C[NH3+] ZINC001246027432 987325683 /nfs/dbraw/zinc/32/56/83/987325683.db2.gz HNTMTITULVOXRS-QWRGUYRKSA-N 2 0 214.353 1.064 20 0 BDADRP CCC[C@@H](O)C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246030153 987331886 /nfs/dbraw/zinc/33/18/86/987331886.db2.gz FBCQEQSHVWNTBU-NWDGAFQWSA-N 2 0 214.353 1.208 20 0 BDADRP CC[N@H+](C[C@H]1CCCC[NH2+]C1)[C@H]1CCCOC1 ZINC000697033783 987347942 /nfs/dbraw/zinc/34/79/42/987347942.db2.gz JEGUNDBFYKUQCH-KBPBESRZSA-N 2 0 240.391 1.877 20 0 BDADRP C([C@@H]1CCCC[NH2+]C1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000697052233 987348170 /nfs/dbraw/zinc/34/81/70/987348170.db2.gz LZRYJRQTQIUPSK-UPJWGTAASA-N 2 0 224.348 1.239 20 0 BDADRP CC[N@@H+]1CCC[C@H]1CN[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246071719 987357506 /nfs/dbraw/zinc/35/75/06/987357506.db2.gz CDIPUQWLDSYVTF-AVGNSLFASA-N 2 0 225.380 1.201 20 0 BDADRP CC[C@@H]1C[C@H](NCC[NH2+]C)C[C@H](CC)[NH2+]1 ZINC001246072099 987359271 /nfs/dbraw/zinc/35/92/71/987359271.db2.gz FDRAAKFVIKZBGE-GDNZZTSVSA-N 2 0 213.369 1.105 20 0 BDADRP C[C@@H]1C[C@@H](N[C@H](C[NH3+])c2ccccc2)CC[NH2+]1 ZINC001246075893 987363852 /nfs/dbraw/zinc/36/38/52/987363852.db2.gz LYVKZVNRXZWOJK-KWCYVHTRSA-N 2 0 233.359 1.417 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NCC1([NH3+])CCCC1)C2 ZINC001246077388 987366774 /nfs/dbraw/zinc/36/67/74/987366774.db2.gz WATUDMBEZONBSN-CLLJXQQHSA-N 2 0 237.391 1.473 20 0 BDADRP C[C@@H]1CC[C@@H](N[C@H](C[NH3+])c2ccccc2)C[NH2+]1 ZINC001246077275 987367252 /nfs/dbraw/zinc/36/72/52/987367252.db2.gz RYMTZLXVVARENW-MRVWCRGKSA-N 2 0 233.359 1.417 20 0 BDADRP CCOCC[C@H](C)[NH2+]C1CC[NH2+]CC1 ZINC001246077782 987369747 /nfs/dbraw/zinc/36/97/47/987369747.db2.gz KGBHXAFYZNABPD-JTQLQIEISA-N 2 0 200.326 1.143 20 0 BDADRP C[C@@H]1C[C@H](NCCCCCCCC[NH3+])C[NH2+]1 ZINC001246082210 987377778 /nfs/dbraw/zinc/37/77/78/987377778.db2.gz VYLCVSSXPLJTRG-OLZOCXBDSA-N 2 0 227.396 1.626 20 0 BDADRP CC1(C)[C@@H]2C[C@H]([NH2+]C3CC[NH2+]CC3)C[C@@H]21 ZINC001246082125 987377911 /nfs/dbraw/zinc/37/79/11/987377911.db2.gz WAJMFNWQTACQDU-ZSBIGDGJSA-N 2 0 208.349 1.763 20 0 BDADRP CC(C)OCC[C@@H](C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246090122 987392844 /nfs/dbraw/zinc/39/28/44/987392844.db2.gz JATSFPWULMOYNW-OLZOCXBDSA-N 2 0 228.380 1.922 20 0 BDADRP CC[C@@H]1CC[C@@H]([NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)C1 ZINC001246089383 987395582 /nfs/dbraw/zinc/39/55/82/987395582.db2.gz PNNUVZNVPPVEHU-FVCCEPFGSA-N 2 0 244.354 1.217 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCC[NH2+]CC2)CC[NH2+]1 ZINC001246093859 987402248 /nfs/dbraw/zinc/40/22/48/987402248.db2.gz LFZPYVVNLOGEGO-RDBSUJKOSA-N 3 0 239.407 1.496 20 0 BDADRP C[N@@H+]1CCC[C@@H](N[C@@H]2CCCC[NH2+]C2)CC1 ZINC001246093076 987402376 /nfs/dbraw/zinc/40/23/76/987402376.db2.gz VCJZHEPRBRHJJD-CHWSQXEVSA-N 2 0 225.380 1.202 20 0 BDADRP C[C@@H]1CC[C@H](CN[C@H]2CC[NH2+][C@H](C)C2)C[NH2+]1 ZINC001246096844 987410179 /nfs/dbraw/zinc/41/01/79/987410179.db2.gz NAYSBABUHDRKKL-NDBYEHHHSA-N 2 0 225.380 1.105 20 0 BDADRP CC[C@@H]1CC(NCC(C)(C)[NH3+])C[C@@H](CC)[NH2+]1 ZINC001246099319 987412548 /nfs/dbraw/zinc/41/25/48/987412548.db2.gz HHFVXUUURJMMFC-GHMZBOCLSA-N 2 0 227.396 1.623 20 0 BDADRP COC(=O)CC[C@H](C)[NH2+]C[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001246098135 987413718 /nfs/dbraw/zinc/41/37/18/987413718.db2.gz JGEBHXFABRMSLA-SDDRHHMPSA-N 2 0 242.363 1.163 20 0 BDADRP CC[NH+]1CCC(NC[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246098976 987413967 /nfs/dbraw/zinc/41/39/67/987413967.db2.gz QSHYTQBWPDFXLD-QWHCGFSZSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](C[NH2+][C@H]2CCCSC2)C1 ZINC001246100010 987417935 /nfs/dbraw/zinc/41/79/35/987417935.db2.gz NDWDLBPDVTZHIS-SRVKXCTJSA-N 2 0 228.405 1.717 20 0 BDADRP C[C@@H]1C[C@H](NC[C@]2(C)CCCC[NH2+]C2)C[NH2+]1 ZINC001246099806 987418669 /nfs/dbraw/zinc/41/86/69/987418669.db2.gz MUQDWKMLCDFMNS-FRRDWIJNSA-N 2 0 225.380 1.106 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCCOCC2)[NH2+]C1 ZINC001246104107 987426633 /nfs/dbraw/zinc/42/66/33/987426633.db2.gz JHYMXCWWMMDJIS-JHJVBQTASA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](F)C2)CC[NH2+]1 ZINC001246102931 987427501 /nfs/dbraw/zinc/42/75/01/987427501.db2.gz UHCMVHZKZVOGRJ-GWOFURMSSA-N 2 0 200.301 1.607 20 0 BDADRP c1cc2c(cc1CN[C@H]1CCC[NH2+]C1)CC[NH2+]C2 ZINC001246105780 987433576 /nfs/dbraw/zinc/43/35/76/987433576.db2.gz CHHFGMXOKWDXBV-HNNXBMFYSA-N 2 0 245.370 1.174 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](C[NH2+]C2C[C@@H]3C=C[C@H](C2)O3)C1 ZINC001246106318 987434226 /nfs/dbraw/zinc/43/42/26/987434226.db2.gz XBXGWNKMFNGMBC-PJIALRRASA-N 2 0 236.359 1.308 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246108068 987437822 /nfs/dbraw/zinc/43/78/22/987437822.db2.gz BVLBOLLZIJCMSK-ZBBUEOHVSA-N 2 0 237.391 1.105 20 0 BDADRP CC(C)(C)[C@H]1C[C@@H](N[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246107524 987438514 /nfs/dbraw/zinc/43/85/14/987438514.db2.gz BYUQPNWRCOJOLQ-YNEHKIRRSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+][C@@H]1CCC2(C[NH2+]C2)C1 ZINC001246108455 987438586 /nfs/dbraw/zinc/43/85/86/987438586.db2.gz HVBYFSBGYOLSRA-YNEHKIRRSA-N 3 0 237.391 1.106 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001246110832 987446906 /nfs/dbraw/zinc/44/69/06/987446906.db2.gz MKIQEKKLGWNAJK-WSOGJNRSSA-N 2 0 238.375 1.674 20 0 BDADRP C[NH2+]C1CCC([NH2+]C[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC001246112317 987447027 /nfs/dbraw/zinc/44/70/27/987447027.db2.gz NPPSYHOGEBJHHJ-IWMBGFJWSA-N 3 0 239.407 1.352 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1C[NH2+][C@@H]1CCCN(C)C1 ZINC001246113929 987451789 /nfs/dbraw/zinc/45/17/89/987451789.db2.gz UVQGJHKLNGRQRS-RWMBFGLXSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@H]1[NH2+]CCC[C@@H]1C[NH2+]C1CCOCC1 ZINC001246114338 987452635 /nfs/dbraw/zinc/45/26/35/987452635.db2.gz WASOESNIOFFHSZ-GHMZBOCLSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+][C@H]2CCOC(C)(C)C2)[NH2+]C1 ZINC001246115685 987452758 /nfs/dbraw/zinc/45/27/58/987452758.db2.gz SIEZPHOOOYCFFB-AGIUHOORSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]1CC[C@H](CN[C@H]2CC[C@H](C)[NH2+]C2)[NH2+]C1 ZINC001246116031 987453732 /nfs/dbraw/zinc/45/37/32/987453732.db2.gz UPOHISRRRCOPMA-XQHKEYJVSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1CC[C@@H](CNC2CC[NH+](C)CC2)[NH2+]C1 ZINC001246115962 987455071 /nfs/dbraw/zinc/45/50/71/987455071.db2.gz UBFXFGWJPUCYRL-YPMHNXCESA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1C[NH2+][C@H]1COC(C)(C)C1 ZINC001246115282 987456074 /nfs/dbraw/zinc/45/60/74/987456074.db2.gz YKKMTKGSUYJFAZ-SDDRHHMPSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1CN[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246116815 987458777 /nfs/dbraw/zinc/45/87/77/987458777.db2.gz XENNVWKZDNDHJP-FRRDWIJNSA-N 2 0 239.407 1.352 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1CN[C@H]1CCC[N@H+](C)CC1 ZINC001246117233 987459381 /nfs/dbraw/zinc/45/93/81/987459381.db2.gz YIMOREFDAULWJE-MCIONIFRSA-N 2 0 239.407 1.306 20 0 BDADRP CC(C)(C)[C@H]1C[C@H](N[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246121621 987469813 /nfs/dbraw/zinc/46/98/13/987469813.db2.gz BYUQPNWRCOJOLQ-FRRDWIJNSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H]1C[C@@H](NC[C@]23CCC[C@H]2C[NH2+]C3)CC[NH2+]1 ZINC001246127397 987472023 /nfs/dbraw/zinc/47/20/23/987472023.db2.gz KKIOMTJLYRLMAF-ZOBORPQBSA-N 2 0 237.391 1.106 20 0 BDADRP CC1CCC([NH2+][C@@H]2C[NH2+]CC23CC3)CC1 ZINC001246135804 987490367 /nfs/dbraw/zinc/49/03/67/987490367.db2.gz VOBZQYOATFOSOG-HTAVTVPLSA-N 2 0 208.349 1.907 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC23CC[NH2+]CC3)CN1 ZINC001246137613 987494776 /nfs/dbraw/zinc/49/47/76/987494776.db2.gz JMKMVQNOKFLQLJ-JHJVBQTASA-N 2 0 237.391 1.249 20 0 BDADRP CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001246150859 987506724 /nfs/dbraw/zinc/50/67/24/987506724.db2.gz XOROEVNUHAOOGU-PDWCTOEPSA-N 2 0 240.391 1.778 20 0 BDADRP CC[C@H](C)[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001246148506 987507819 /nfs/dbraw/zinc/50/78/19/987507819.db2.gz SPWYDIBGJREMBL-NWDGAFQWSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@H]1CC[C@H](N[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)C[NH2+]1 ZINC001246148802 987508706 /nfs/dbraw/zinc/50/87/06/987508706.db2.gz RZACTNKJUFWWAU-ZUWCUPBKSA-N 2 0 237.391 1.105 20 0 BDADRP CC(C)CC[C@H](C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@@H]1COC2 ZINC001246151046 987512588 /nfs/dbraw/zinc/51/25/88/987512588.db2.gz VLTSQVMNLOFHTK-IGQOVBAYSA-N 2 0 240.391 1.635 20 0 BDADRP CC[NH+](CC)CCCC[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC001246163128 987527507 /nfs/dbraw/zinc/52/75/07/987527507.db2.gz VUWYXLUYXKXZEB-ZIAGYGMSSA-N 3 0 241.423 1.839 20 0 BDADRP [NH3+]C12CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)(CC1)CC2 ZINC001246164971 987528089 /nfs/dbraw/zinc/52/80/89/987528089.db2.gz XUNJHCDSVXAWLT-HONBEQNRSA-N 3 0 249.402 1.663 20 0 BDADRP C(CC1CCCC1)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246172047 987537565 /nfs/dbraw/zinc/53/75/65/987537565.db2.gz BBWFRMRQJHUKTJ-CYBMUJFWSA-N 2 0 237.391 1.250 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)CC[NH2+]1 ZINC001246176272 987542098 /nfs/dbraw/zinc/54/20/98/987542098.db2.gz OBNXBXRUVVZXIT-MGPQQGTHSA-N 3 0 239.407 1.448 20 0 BDADRP C[NH2+]CC[C@H](C)[NH2+][C@H](C)c1cccc(N)c1 ZINC001246175667 987543444 /nfs/dbraw/zinc/54/34/44/987543444.db2.gz MBTDGKAECJJZFQ-WDEREUQCSA-N 2 0 221.348 1.917 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)CC[NH2+]1 ZINC001246176270 987544713 /nfs/dbraw/zinc/54/47/13/987544713.db2.gz OBNXBXRUVVZXIT-MCIONIFRSA-N 3 0 239.407 1.448 20 0 BDADRP CCCN(CCC[NH3+])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246182125 987552388 /nfs/dbraw/zinc/55/23/88/987552388.db2.gz WLLKBJJLXWRFRG-FUNVUKJBSA-N 2 0 225.380 1.330 20 0 BDADRP C([NH2+]C1C[C@H]2CC[C@@H](C1)O2)[C@H]1CCC[NH2+]1 ZINC001246185557 987563235 /nfs/dbraw/zinc/56/32/35/987563235.db2.gz BUDRWCOWUUMLHP-WAAKLRNESA-N 2 0 210.321 1.038 20 0 BDADRP CCOC(=O)C[C@H](C)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC001246194031 987583404 /nfs/dbraw/zinc/58/34/04/987583404.db2.gz QBTJGLFBYJZIPI-VWYCJHECSA-N 2 0 228.336 1.058 20 0 BDADRP CCCC[C@@H]1C[C@@H](NC[C@@H]2CC[NH2+]2)CC[NH2+]1 ZINC001246195570 987587026 /nfs/dbraw/zinc/58/70/26/987587026.db2.gz XYGXEDGDEFFXNI-AGIUHOORSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)CCO1 ZINC001246199318 987594344 /nfs/dbraw/zinc/59/43/44/987594344.db2.gz UXNHWJVTIZFEQP-SDDRHHMPSA-N 2 0 212.337 1.143 20 0 BDADRP C([NH2+]C1CCC2(CC[NH2+]CC2)CC1)[C@@H]1CC[NH2+]1 ZINC001246199475 987596468 /nfs/dbraw/zinc/59/64/68/987596468.db2.gz KJDJRIHCWHTEJL-ZDUSSCGKSA-N 3 0 237.391 1.250 20 0 BDADRP CCCC[C@@H](CO)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC001246212621 987610084 /nfs/dbraw/zinc/61/00/84/987610084.db2.gz VZBPKWIJDXLMLG-WOPDTQHZSA-N 2 0 214.353 1.268 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C[NH3+])CC2)CC[NH2+]1 ZINC001246224043 987623203 /nfs/dbraw/zinc/62/32/03/987623203.db2.gz MTDILRVQCFDAGN-NDBYEHHHSA-N 3 0 225.380 1.234 20 0 BDADRP C1C[C@H]2CC[C@H]([NH2+][C@H]3CCCNC3)[C@H]2C1 ZINC001246230572 987625589 /nfs/dbraw/zinc/62/55/89/987625589.db2.gz PQCQSIZUZNCYRN-CYDGBPFRSA-N 2 0 208.349 1.907 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCOc2cccnc2)CC[NH2+]1 ZINC001246232858 987629643 /nfs/dbraw/zinc/62/96/43/987629643.db2.gz SGHPWVSVQYDBLD-NWDGAFQWSA-N 2 0 235.331 1.191 20 0 BDADRP C[C@@H]1CC[C@H](n2cc3c(n2)CC[C@H]([NH3+])C3)C[NH2+]1 ZINC001246239526 987639254 /nfs/dbraw/zinc/63/92/54/987639254.db2.gz RSZOZHPERUVJRH-USWWRNFRSA-N 2 0 234.347 1.012 20 0 BDADRP C(C[C@@H]1CCCC[NH2+]1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246238968 987639789 /nfs/dbraw/zinc/63/97/89/987639789.db2.gz BNDPOKYWBYTPEP-ICIURTGMSA-N 2 0 237.391 1.391 20 0 BDADRP C[C@@H]1CC[C@@H](NCC[C@@H]2CCCC[NH2+]2)C[NH2+]1 ZINC001246242694 987645923 /nfs/dbraw/zinc/64/59/23/987645923.db2.gz GUIDFKJUNIKJTG-FRRDWIJNSA-N 2 0 225.380 1.249 20 0 BDADRP [NH3+]CCc1cn(C2CC[NH2+]CC2)c2cccnc12 ZINC001246267964 987662792 /nfs/dbraw/zinc/66/27/92/987662792.db2.gz VDLWDYXIXJOPPV-UHFFFAOYSA-N 2 0 244.342 1.462 20 0 BDADRP CCC[NH2+]CCN[C@H]1CC[NH2+][C@@H](CC)C1 ZINC001246267997 987663675 /nfs/dbraw/zinc/66/36/75/987663675.db2.gz GNUDEZHMVQSBAV-RYUDHWBXSA-N 2 0 213.369 1.106 20 0 BDADRP CCCC[C@H]1C[C@@H](NCC[NH2+]CCC)CC[NH2+]1 ZINC001246271215 987665145 /nfs/dbraw/zinc/66/51/45/987665145.db2.gz QSKVZWWRHRRSPB-KBPBESRZSA-N 2 0 241.423 1.886 20 0 BDADRP CCC[NH2+]CC[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246272723 987666699 /nfs/dbraw/zinc/66/66/99/987666699.db2.gz VEQSBEKCWUQOQB-CYBMUJFWSA-N 2 0 239.407 1.498 20 0 BDADRP C[C@@H]1C[C@H](n2nnc3ccc(C[NH3+])cc32)CC[NH2+]1 ZINC001246276996 987669364 /nfs/dbraw/zinc/66/93/64/987669364.db2.gz FZHXFTNOYTUSQU-MWLCHTKSSA-N 2 0 245.330 1.203 20 0 BDADRP C[C@@H]1C[C@@H](NC[C@@H]2Cc3ccccc3C[NH2+]2)C[NH2+]1 ZINC001246276979 987671138 /nfs/dbraw/zinc/67/11/38/987671138.db2.gz GPKNZODMKIPFGV-DFBGVHRSSA-N 2 0 245.370 1.041 20 0 BDADRP COC(=O)[C@@H]1CC[C@H](N[C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC001246279920 987673293 /nfs/dbraw/zinc/67/32/93/987673293.db2.gz OFKDVKFOWMWQFX-WISYIIOYSA-N 2 0 240.347 1.058 20 0 BDADRP C[C@@H]1CC[C@@H](n2nnc3ccc(C[NH3+])cc32)C[NH2+]1 ZINC001246280352 987674916 /nfs/dbraw/zinc/67/49/16/987674916.db2.gz RJCKHXSBMZRWOP-MWLCHTKSSA-N 2 0 245.330 1.203 20 0 BDADRP CC(C)[C@@H]1C[C@H](NC2(C[NH3+])CCCC2)CC[NH2+]1 ZINC001246280673 987676211 /nfs/dbraw/zinc/67/62/11/987676211.db2.gz VEDLCPAMDIDCIG-OLZOCXBDSA-N 2 0 239.407 1.624 20 0 BDADRP [NH3+][C@H](CN[C@H]1CCCC[NH2+]C1)c1ccccc1 ZINC001246291861 987685971 /nfs/dbraw/zinc/68/59/71/987685971.db2.gz OPZIMESNTGUJEC-UONOGXRCSA-N 2 0 233.359 1.418 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@H]1CCc2ncsc2C1 ZINC001246300104 987696144 /nfs/dbraw/zinc/69/61/44/987696144.db2.gz LMYUUHZHRXUGIR-IUCAKERBSA-N 2 0 225.361 1.327 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCOC(C)(C)C1 ZINC001246302670 987700757 /nfs/dbraw/zinc/70/07/57/987700757.db2.gz ADXOZKQDNSSIPM-VHSXEESVSA-N 2 0 200.326 1.271 20 0 BDADRP CCOC(=O)[C@H]1CCC[C@@H]1N[C@@H]1CCC[NH2+]C1 ZINC001246303522 987701056 /nfs/dbraw/zinc/70/10/56/987701056.db2.gz GUNROJPVFKLQKU-WOPDTQHZSA-N 2 0 240.347 1.060 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)Cc1ccncc1 ZINC001246306737 987703150 /nfs/dbraw/zinc/70/31/50/987703150.db2.gz SMJVXGUWTVPOOX-QWRGUYRKSA-N 2 0 207.321 1.340 20 0 BDADRP CC[C@H]([NH3+])CCN[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246305463 987705018 /nfs/dbraw/zinc/70/50/18/987705018.db2.gz HTWFBQDNZXUBAW-RWMBFGLXSA-N 2 0 241.423 1.870 20 0 BDADRP C[C@H]1[C@@H]2CC[N@@H+]1C[C@@H](N[C@H]1CC[C@@H](C)[NH2+]C1)C2 ZINC001246304774 987705173 /nfs/dbraw/zinc/70/51/73/987705173.db2.gz LNFZQOLMOKNNOB-BJJPWKGXSA-N 2 0 237.391 1.199 20 0 BDADRP [NH3+]CCCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246309602 987707392 /nfs/dbraw/zinc/70/73/92/987707392.db2.gz VNXNUSBGNUATCO-PBWFPOADSA-N 3 0 239.407 1.768 20 0 BDADRP CC[C@H]([NH3+])CN[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001246319283 987723101 /nfs/dbraw/zinc/72/31/01/987723101.db2.gz UTKRTARNYLENGW-LSDHHAIUSA-N 2 0 247.386 1.588 20 0 BDADRP CC[C@H](CN)[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246319237 987724858 /nfs/dbraw/zinc/72/48/58/987724858.db2.gz UBHFNLZWDGWWEZ-IYXRBSQSSA-N 2 0 239.407 1.626 20 0 BDADRP C[C@@H]1CC[C@H](N2C[C@H](C[NH3+])c3ccccc32)C[NH2+]1 ZINC001246322258 987729046 /nfs/dbraw/zinc/72/90/46/987729046.db2.gz GYCOGJNRXKISGM-AGIUHOORSA-N 2 0 245.370 1.689 20 0 BDADRP CC(C)[C@H]([NH3+])C[NH2+]C1CCC2(CC[NH2+]C2)CC1 ZINC001246330118 987733564 /nfs/dbraw/zinc/73/35/64/987733564.db2.gz ALMQPFCHMPJIBX-ROKHWSDSSA-N 2 0 239.407 1.482 20 0 BDADRP CC(=O)CC(C)(C)[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246329052 987734666 /nfs/dbraw/zinc/73/46/66/987734666.db2.gz NBBBENUCEBTESN-GXSJLCMTSA-N 2 0 212.337 1.474 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC001246331793 987738075 /nfs/dbraw/zinc/73/80/75/987738075.db2.gz JNTFFYCTQQXZDO-RGDJUOJXSA-N 2 0 237.391 1.390 20 0 BDADRP [NH3+][C@@]12CC[C@@](N[C@H]3CCC[NH2+]C3)(C1)CCC2 ZINC001246332252 987739473 /nfs/dbraw/zinc/73/94/73/987739473.db2.gz GRBJEQMBOKMWED-RWMBFGLXSA-N 2 0 223.364 1.132 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCN2CCC(F)(F)C2)CC[NH2+]1 ZINC001246339059 987748266 /nfs/dbraw/zinc/74/82/66/987748266.db2.gz BUXHZFMNNCCGQA-QWRGUYRKSA-N 2 0 247.333 1.058 20 0 BDADRP [NH3+][C@@]12CC[C@@]([NH2+][C@@H]3CCCOCC3)(C1)CCC2 ZINC001246340017 987749041 /nfs/dbraw/zinc/74/90/41/987749041.db2.gz KGWROXRMVFAARH-HZSPNIEDSA-N 2 0 238.375 1.949 20 0 BDADRP c1ccc2c(c1)CC[C@H](C[NH2+]C1CC[NH2+]CC1)N2 ZINC001246344687 987751457 /nfs/dbraw/zinc/75/14/57/987751457.db2.gz CKFJTVHBPSBVDB-CQSZACIVSA-N 2 0 245.370 1.755 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCN2CCC[C@H](F)C2)CC[NH2+]1 ZINC001246344436 987751699 /nfs/dbraw/zinc/75/16/99/987751699.db2.gz ZEIUNICLYBOTRZ-FRRDWIJNSA-N 2 0 243.370 1.150 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCO[C@@H]2CCCCO2)CC[NH2+]1 ZINC001246342469 987751949 /nfs/dbraw/zinc/75/19/49/987751949.db2.gz AEQADIIRWFAVOI-FRRDWIJNSA-N 2 0 242.363 1.260 20 0 BDADRP C[C@H]1CC[C@@H](NCC[NH+]2CCC(F)CC2)C[NH2+]1 ZINC001246342309 987753765 /nfs/dbraw/zinc/75/37/65/987753765.db2.gz RGILMEVJZXCEMH-WCQYABFASA-N 2 0 243.370 1.150 20 0 BDADRP C[C@@H]1CC[C@@H](N[C@H]2CC[N@@H+](C3CCC3)C2)C[NH2+]1 ZINC001246359451 987766621 /nfs/dbraw/zinc/76/66/21/987766621.db2.gz BPNIRWHXPYTQOT-UPJWGTAASA-N 2 0 237.391 1.343 20 0 BDADRP C[C@@H]1C[C@@H](N[C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)C[NH2+]1 ZINC001246358395 987766662 /nfs/dbraw/zinc/76/66/62/987766662.db2.gz DWFIKHUAOHBPRQ-FDYHWXHSSA-N 2 0 239.407 1.493 20 0 BDADRP CC(C)(C)C[N@@H+]1CC[C@H](N[C@H]2CCC[NH2+]C2)C1 ZINC001246359896 987767791 /nfs/dbraw/zinc/76/77/91/987767791.db2.gz DKIDIXBXQUBQEV-STQMWFEESA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H]([NH+](C)C)CC2)CN1 ZINC001246366483 987771270 /nfs/dbraw/zinc/77/12/70/987771270.db2.gz JMBXTSXPNYXUMW-XUXIUFHCSA-N 2 0 239.407 1.589 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H]([NH+](C)C)CC2)CC[NH2+]1 ZINC001246366434 987771978 /nfs/dbraw/zinc/77/19/78/987771978.db2.gz IXQHHNKHHIOLSG-AAVRWANBSA-N 3 0 239.407 1.589 20 0 BDADRP C[C@H]1CC[C@H](Nc2cccc(CC[NH3+])c2)C[NH2+]1 ZINC001246367155 987772065 /nfs/dbraw/zinc/77/20/65/987772065.db2.gz RZSSGFCSLSDUIT-FZMZJTMJSA-N 2 0 233.359 1.740 20 0 BDADRP CC(C)(O)C(C)(C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246386716 987780323 /nfs/dbraw/zinc/78/03/23/987780323.db2.gz AMFDSSPUPPRFGC-ZACCUICWSA-N 2 0 226.364 1.409 20 0 BDADRP C[NH2+]CC[C@@H](C)NC1(CC2CC2)CC[NH2+]CC1 ZINC001246388674 987780331 /nfs/dbraw/zinc/78/03/31/987780331.db2.gz MPKWJXIZBQXWHO-GFCCVEGCSA-N 2 0 239.407 1.496 20 0 BDADRP [NH3+]CCN(c1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC001246407019 987786099 /nfs/dbraw/zinc/78/60/99/987786099.db2.gz REGQVWCJNVWCBN-ZDUSSCGKSA-N 2 0 237.322 1.343 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCNCC[NH3+])CC(C)(C)C1 ZINC001246403675 987786189 /nfs/dbraw/zinc/78/61/89/987786189.db2.gz GZEHGDOGNKXRMW-RYUDHWBXSA-N 2 0 227.396 1.339 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCNCC[NH3+])CC(C)(C)C1 ZINC001246403676 987787189 /nfs/dbraw/zinc/78/71/89/987787189.db2.gz GZEHGDOGNKXRMW-VXGBXAGGSA-N 2 0 227.396 1.339 20 0 BDADRP CCCC(CCC)[NH2+]CCNCC[NH3+] ZINC001246405410 987787911 /nfs/dbraw/zinc/78/79/11/987787911.db2.gz OMMMVBAHBMROGT-UHFFFAOYSA-N 2 0 201.358 1.093 20 0 BDADRP CC(C)CCC[C@H](C)[NH2+]CCNCC[NH3+] ZINC001246405192 987788310 /nfs/dbraw/zinc/78/83/10/987788310.db2.gz NEWPMHGYFJRGEQ-LBPRGKRZSA-N 2 0 215.385 1.339 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCNCC[NH3+])CC(C)(C)C1 ZINC001246403674 987788321 /nfs/dbraw/zinc/78/83/21/987788321.db2.gz GZEHGDOGNKXRMW-NWDGAFQWSA-N 2 0 227.396 1.339 20 0 BDADRP CCCC[C@@H](CC)[NH2+]CCCC[C@H]([NH3+])C(N)=O ZINC001246418077 987790210 /nfs/dbraw/zinc/79/02/10/987790210.db2.gz QNCIOUBOGMVJRR-NEPJUHHUSA-N 2 0 243.395 1.528 20 0 BDADRP CC[C@@H](CC(C)C)[NH2+]CCCC[C@H]([NH3+])C(N)=O ZINC001246416854 987790639 /nfs/dbraw/zinc/79/06/39/987790639.db2.gz NMOFXRDAWGQEQV-RYUDHWBXSA-N 2 0 243.395 1.384 20 0 BDADRP CCCCC[C@H](C)[NH2+]CCCC[C@H]([NH3+])C(N)=O ZINC001246415716 987792674 /nfs/dbraw/zinc/79/26/74/987792674.db2.gz JYLALINWXWTSLU-RYUDHWBXSA-N 2 0 243.395 1.528 20 0 BDADRP CCC1(C[NH2+][C@H]2CCCC[NH2+]C2)CC[NH2+]CC1 ZINC001246421828 987793735 /nfs/dbraw/zinc/79/37/35/987793735.db2.gz IRHHVNUXSIGLPS-ZDUSSCGKSA-N 3 0 239.407 1.498 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N[C@@H]1CC12C[NH2+]C2 ZINC001246442525 987800553 /nfs/dbraw/zinc/80/05/53/987800553.db2.gz CYIKVORTDVDBPH-NWDGAFQWSA-N 2 0 225.380 1.058 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CC12C[NH2+]C2 ZINC001246443588 987801568 /nfs/dbraw/zinc/80/15/68/987801568.db2.gz HLVNLCLIMRHSHD-OLZOCXBDSA-N 3 0 239.407 1.448 20 0 BDADRP CC(C)COCC[C@@H](C)[NH2+][C@H]1CC12C[NH2+]C2 ZINC001246444332 987801902 /nfs/dbraw/zinc/80/19/02/987801902.db2.gz KHLQUCOHVOTJDU-NEPJUHHUSA-N 2 0 226.364 1.389 20 0 BDADRP C1CC12CCC([NH2+][C@@H]1CC13C[NH2+]C3)CC2 ZINC001246445836 987802691 /nfs/dbraw/zinc/80/26/91/987802691.db2.gz PYWITJBRGHGYCS-LLVKDONJSA-N 2 0 206.333 1.661 20 0 BDADRP CC1(C)CCC[C@H]([NH2+][C@H]2CC23C[NH2+]C3)C1 ZINC001246448482 987805366 /nfs/dbraw/zinc/80/53/66/987805366.db2.gz YUIWRLJOLUWKOQ-QWRGUYRKSA-N 2 0 208.349 1.907 20 0 BDADRP CCC1CCC([NH2+][C@H]2CC23C[NH2+]C3)CC1 ZINC001246447241 987806526 /nfs/dbraw/zinc/80/65/26/987806526.db2.gz UVAJBOHGALNCBX-MCIGGMRASA-N 2 0 208.349 1.907 20 0 BDADRP COC(=O)CCCC[C@@H](C)[NH2+][C@@H]1CC12C[NH2+]C2 ZINC001246446786 987806706 /nfs/dbraw/zinc/80/67/06/987806706.db2.gz UCFOXRBAJSGMLY-GHMZBOCLSA-N 2 0 240.347 1.060 20 0 BDADRP OCc1ccc(CC[NH2+]C2CC[NH2+]CC2)cc1 ZINC001246446246 987806910 /nfs/dbraw/zinc/80/69/10/987806910.db2.gz LNAKAFHMAWTKBA-UHFFFAOYSA-N 2 0 234.343 1.063 20 0 BDADRP CC(C)(Cc1cccnc1)[NH2+]C1CC[NH2+]CC1 ZINC001246447189 987807462 /nfs/dbraw/zinc/80/74/62/987807462.db2.gz PQZLAXZVFKWHAM-UHFFFAOYSA-N 2 0 233.359 1.744 20 0 BDADRP C[C@H]1CC[C@H](n2c(C[NH3+])nc3cnccc32)C[NH2+]1 ZINC001246450685 987809272 /nfs/dbraw/zinc/80/92/72/987809272.db2.gz YNPVBAQLABSQTO-UWVGGRQHSA-N 2 0 245.330 1.203 20 0 BDADRP C[C@@H](Cc1ccco1)[NH2+]CCCNCCC[NH3+] ZINC001246454327 987809884 /nfs/dbraw/zinc/80/98/84/987809884.db2.gz RSFUGZLBFPHPDB-LBPRGKRZSA-N 2 0 239.363 1.129 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC001246452876 987810662 /nfs/dbraw/zinc/81/06/62/987810662.db2.gz YBUIGDWUQATLNL-MQYQWHSLSA-N 3 0 239.407 1.482 20 0 BDADRP C[C@H]1CC[C@@H](n2c(C[NH3+])nc3cnccc32)C[NH2+]1 ZINC001246450689 987810934 /nfs/dbraw/zinc/81/09/34/987810934.db2.gz YNPVBAQLABSQTO-VHSXEESVSA-N 2 0 245.330 1.203 20 0 BDADRP C[C@@H](CC1CC1)[NH2+]CCCNCCC[NH3+] ZINC001246455945 987814314 /nfs/dbraw/zinc/81/43/14/987814314.db2.gz YOIVMZOVDBSPCW-NSHDSACASA-N 2 0 213.369 1.093 20 0 BDADRP C[C@@H]1CSC[C@@H]1[NH2+]C[C@@H]1C[NH+]2CCC1CC2 ZINC001474735479 987813387 /nfs/dbraw/zinc/81/33/87/987813387.db2.gz QKQHFKBPOISFOQ-RTXFEEFZSA-N 2 0 240.416 1.669 20 0 BDADRP CC[C@@]1(N[C@H]2CC[NH2+]C(C)(C)C2)CC[NH2+]C1 ZINC001246458504 987816273 /nfs/dbraw/zinc/81/62/73/987816273.db2.gz GZEOFAWXUDUVQD-WCQYABFASA-N 2 0 225.380 1.249 20 0 BDADRP C[NH2+][C@H]1C[C@H]([NH2+][C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001246459351 987816919 /nfs/dbraw/zinc/81/69/19/987816919.db2.gz FXTBPYYMBAUWPP-SYQHCUMBSA-N 3 0 237.391 1.249 20 0 BDADRP CC[NH+]1CCC(C[NH2+]CC[C@H](O)C2CC2)CC1 ZINC001474746387 987817323 /nfs/dbraw/zinc/81/73/23/987817323.db2.gz TZEHIALQEOIWTE-AWEZNQCLSA-N 2 0 240.391 1.469 20 0 BDADRP C[NH2+][C@H]1C[C@H](N[C@@H]2CC[NH2+][C@H](C(C)C)C2)C1 ZINC001246460462 987819087 /nfs/dbraw/zinc/81/90/87/987819087.db2.gz IHRBZBGNZDFQJU-LPWJVIDDSA-N 2 0 225.380 1.103 20 0 BDADRP CCCC[C@@H]1C[C@H](N[C@H]2C[C@@](C)([NH3+])C2)CC[NH2+]1 ZINC001246467727 987825056 /nfs/dbraw/zinc/82/50/56/987825056.db2.gz ZSEXUBKUPPNYJB-SYQHCUMBSA-N 2 0 239.407 1.767 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CNc3ccccc32)CC[NH2+]1 ZINC001246473962 987831699 /nfs/dbraw/zinc/83/16/99/987831699.db2.gz LVNSLLKIEGINQL-FRRDWIJNSA-N 2 0 245.370 1.926 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001246475462 987831910 /nfs/dbraw/zinc/83/19/10/987831910.db2.gz GGYGYMUAZXKURQ-AVGNSLFASA-N 3 0 243.370 1.008 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2[NH3+])CCO1 ZINC001246479915 987837028 /nfs/dbraw/zinc/83/70/28/987837028.db2.gz WDFYFDJUHJJESN-LPWJVIDDSA-N 2 0 226.364 1.804 20 0 BDADRP C[C@@H]1CC[C@@H](NCCc2ccc(C[NH3+])cc2)C[NH2+]1 ZINC001246487009 987844333 /nfs/dbraw/zinc/84/43/33/987844333.db2.gz YWPLLVZMVIUECX-IUODEOHRSA-N 2 0 247.386 1.418 20 0 BDADRP [NH3+]CCC[C@H]1CCCCN([C@H]2CCC[NH2+]C2)C1 ZINC001246495053 987851625 /nfs/dbraw/zinc/85/16/25/987851625.db2.gz FBQSUIMQEBCPCO-KGLIPLIRSA-N 2 0 239.407 1.579 20 0 BDADRP CC(C)[NH+]1CCC(N[C@@H]2C[NH2+]CC[C@H]2F)CC1 ZINC001246498926 987853046 /nfs/dbraw/zinc/85/30/46/987853046.db2.gz UUJYYOPSIJWNCF-CHWSQXEVSA-N 2 0 243.370 1.149 20 0 BDADRP CC(C)C[C@@H](C[NH3+])NC1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246502486 987856680 /nfs/dbraw/zinc/85/66/80/987856680.db2.gz FGBZHICZEHYFNP-WZRBSPASSA-N 2 0 227.396 1.478 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCOc2ccncc2)CC[NH2+]1 ZINC001246502863 987856892 /nfs/dbraw/zinc/85/68/92/987856892.db2.gz GMOKJRHPQDQONO-NEPJUHHUSA-N 2 0 235.331 1.191 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C2(c3ccc(N)cc3)CC2)CC[NH2+]1 ZINC001246504833 987858576 /nfs/dbraw/zinc/85/85/76/987858576.db2.gz SYYOHELLLZXCJQ-RISCZKNCSA-N 2 0 245.370 1.988 20 0 BDADRP CC[NH+](CC)CCN(C)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246519533 987865787 /nfs/dbraw/zinc/86/57/87/987865787.db2.gz BQUOBYRGGAKQRR-CHWSQXEVSA-N 2 0 227.396 1.401 20 0 BDADRP CCC1(CC[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)OCCO1 ZINC001246516253 987866833 /nfs/dbraw/zinc/86/68/33/987866833.db2.gz QYFYLMBPNGEVGO-NWDGAFQWSA-N 2 0 242.363 1.260 20 0 BDADRP C1C[NH2+]C[C@H](N2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001246524433 987875251 /nfs/dbraw/zinc/87/52/51/987875251.db2.gz QKGONAWKTKSURL-CYBMUJFWSA-N 3 0 237.391 1.204 20 0 BDADRP C1C[NH2+]C[C@@H](N2CC[C@H]3OCCC[C@H]3C2)C1 ZINC001246524527 987875419 /nfs/dbraw/zinc/87/54/19/987875419.db2.gz GIEPHFQGXATFSD-RWMBFGLXSA-N 2 0 224.348 1.239 20 0 BDADRP C1C[C@@]2(C[NH2+]1)CCC[C@H]([N@@H+]1CCCNCC1)C2 ZINC001246525887 987880429 /nfs/dbraw/zinc/88/04/29/987880429.db2.gz SYYQZIDFKVMNAX-KBPBESRZSA-N 2 0 237.391 1.204 20 0 BDADRP C[C@]1([NH3+])CC[N@@H+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001246530606 987885516 /nfs/dbraw/zinc/88/55/16/987885516.db2.gz NERGKGVIUXQZEB-RDBSUJKOSA-N 3 0 237.391 1.332 20 0 BDADRP C[C@]1([NH3+])CC[N@@H+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246530593 987887907 /nfs/dbraw/zinc/88/79/07/987887907.db2.gz NERGKGVIUXQZEB-HZSPNIEDSA-N 3 0 237.391 1.332 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[C@](C)([NH3+])C1)C2 ZINC001246531697 987889202 /nfs/dbraw/zinc/88/92/02/987889202.db2.gz SHDATTLVWABENG-RNJOBUHISA-N 2 0 223.364 1.035 20 0 BDADRP CC[C@@H]1CC(N2CC[C@@](C)([NH3+])C2)C[C@@H](CC)[NH2+]1 ZINC001246531677 987889791 /nfs/dbraw/zinc/88/97/91/987889791.db2.gz RSRICGLSDDVRAU-YRGRVCCFSA-N 2 0 239.407 1.719 20 0 BDADRP C[N@H+](C1CCCCC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246534817 987893763 /nfs/dbraw/zinc/89/37/63/987893763.db2.gz ZAYRJZOBJMFABG-CYBMUJFWSA-N 2 0 237.391 1.345 20 0 BDADRP F[C@H]1CC[N@@H+](C2CC[NH2+]CC2)CCC1(F)F ZINC001246535973 987894136 /nfs/dbraw/zinc/89/41/36/987894136.db2.gz BUSSWVYBYZBQEC-JTQLQIEISA-N 2 0 236.281 1.808 20 0 BDADRP CC[C@@H]1C[C@@H](N2CCC[C@H]([NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246536587 987894776 /nfs/dbraw/zinc/89/47/76/987894776.db2.gz RNGJJJOHJQEQJD-FQUUOJAGSA-N 2 0 239.407 1.719 20 0 BDADRP CC[C@H]1C[C@@H]([NH+]2CCC(C[NH3+])CC2)CC[NH2+]1 ZINC001246537815 987896894 /nfs/dbraw/zinc/89/68/94/987896894.db2.gz LXLFFNMBOODNMC-STQMWFEESA-N 3 0 225.380 1.188 20 0 BDADRP C[C@]1([NH3+])CCCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246537448 987896947 /nfs/dbraw/zinc/89/69/47/987896947.db2.gz CCQQTCUPTMISJY-HNGCFSAESA-N 2 0 223.364 1.083 20 0 BDADRP [NH3+]CC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC001246538686 987897471 /nfs/dbraw/zinc/89/74/71/987897471.db2.gz PCVHEOCRTYJIIE-WDNDVIMCSA-N 3 0 237.391 1.330 20 0 BDADRP C[C@@H](Cc1ccccn1)[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246540873 987901868 /nfs/dbraw/zinc/90/18/68/987901868.db2.gz KJESAIVFZPTHKE-RWMBFGLXSA-N 2 0 233.359 1.539 20 0 BDADRP CCC(CC)[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246542186 987909209 /nfs/dbraw/zinc/90/92/09/987909209.db2.gz JMYCJQDHMSOQGH-LBPRGKRZSA-N 2 0 214.353 1.351 20 0 BDADRP CC(C)[C@H]1C[C@H](N2C[C@H](C)[C@H](C[NH3+])C2)CC[NH2+]1 ZINC001246542557 987911715 /nfs/dbraw/zinc/91/17/15/987911715.db2.gz QKRPSKKHOHWWTG-REWJHTLYSA-N 2 0 239.407 1.290 20 0 BDADRP [NH3+][C@@H]1CCC[N@@H+]([C@H]2CCCOCC2)CC1 ZINC001246541077 987913462 /nfs/dbraw/zinc/91/34/62/987913462.db2.gz LMYQWBAKRUCXRZ-NEPJUHHUSA-N 2 0 212.337 1.369 20 0 BDADRP CC[C@@H](C)[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246545605 987915890 /nfs/dbraw/zinc/91/58/90/987915890.db2.gz BWALIAQWCDLAIY-MNOVXSKESA-N 2 0 202.317 1.938 20 0 BDADRP CSCC[C@@H](C)[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001246544881 987920304 /nfs/dbraw/zinc/92/03/04/987920304.db2.gz HUOAGUZGCKBSCZ-MNOVXSKESA-N 2 0 216.394 1.941 20 0 BDADRP C[C@@H]1CC([N@@H+]2CCC[C@@H]([NH3+])CC2)C[C@@H](C)O1 ZINC001246546473 987930857 /nfs/dbraw/zinc/93/08/57/987930857.db2.gz NAMDGSLLRGTCSN-IJLUTSLNSA-N 2 0 226.364 1.756 20 0 BDADRP CC[C@@H]1C[C@H](N2CCC[C@H](C[NH2+]C)C2)CC[NH2+]1 ZINC001246550369 987945232 /nfs/dbraw/zinc/94/52/32/987945232.db2.gz MWAXXMUDNZLDNG-MGPQQGTHSA-N 3 0 239.407 1.448 20 0 BDADRP [NH3+]CC1CC[NH+](C2C[C@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001246552019 987949915 /nfs/dbraw/zinc/94/99/15/987949915.db2.gz UPOPGMCZYHYLRR-RYUDHWBXSA-N 2 0 236.359 1.415 20 0 BDADRP C[C@@H]1CC[N@@H+]([C@H]2COC(C)(C)C2)CC[C@H]1C[NH3+] ZINC001246554911 987958774 /nfs/dbraw/zinc/95/87/74/987958774.db2.gz CZQPCHQYXUMOJB-FRRDWIJNSA-N 2 0 240.391 1.861 20 0 BDADRP C[C@H]1CC[N@@H+](C2CC[NH2+]CC2)CC[C@H]1C[NH3+] ZINC001246553968 987959874 /nfs/dbraw/zinc/95/98/74/987959874.db2.gz ALZIPVXPWIIPRF-RYUDHWBXSA-N 3 0 225.380 1.045 20 0 BDADRP C[NH2+]C[C@H]1CCCN([C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)C1 ZINC001246554341 987962287 /nfs/dbraw/zinc/96/22/87/987962287.db2.gz ZSUGJWIEHREVLM-XJFOESAGSA-N 2 0 239.407 1.447 20 0 BDADRP C[C@@H]1CC[N@@H+]([C@@H]2CCCN(C)C2)CC[C@H]1C[NH3+] ZINC001246555711 987965465 /nfs/dbraw/zinc/96/54/65/987965465.db2.gz FUARHRIWEPLCCR-HZSPNIEDSA-N 2 0 239.407 1.387 20 0 BDADRP C[C@H]1C[C@@H]([N@@H+]2CCC[C@@](C)([NH3+])CC2)CCO1 ZINC001246556047 987969066 /nfs/dbraw/zinc/96/90/66/987969066.db2.gz YHAAQZJQOSPJCF-RWMBFGLXSA-N 2 0 226.364 1.757 20 0 BDADRP C[C@]1([NH3+])CCC[N@@H+]([C@H]2CCC3(C[NH2+]C3)C2)CC1 ZINC001246556011 987969712 /nfs/dbraw/zinc/96/97/12/987969712.db2.gz YDRMPDZHZMXFQI-STQMWFEESA-N 3 0 237.391 1.332 20 0 BDADRP C[C@@H]1C[C@@H](N2CCC[C@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246556092 987970815 /nfs/dbraw/zinc/97/08/15/987970815.db2.gz YKIHAHFHOBAKJM-AGIUHOORSA-N 2 0 225.380 1.330 20 0 BDADRP CC(C)CC[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246557838 987973665 /nfs/dbraw/zinc/97/36/65/987973665.db2.gz IWPARWSYGYTLTE-IJLUTSLNSA-N 2 0 214.353 1.205 20 0 BDADRP CCCCCC[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246559351 987981427 /nfs/dbraw/zinc/98/14/27/987981427.db2.gz PDRAQOGWRRBKQL-JHJVBQTASA-N 2 0 228.380 1.739 20 0 BDADRP CCN1CC[C@H]([N@@H+]2CCC[C@@](F)(C[NH3+])CC2)C1 ZINC001246560273 987982193 /nfs/dbraw/zinc/98/21/93/987982193.db2.gz QFCNVQKIQCYVOG-STQMWFEESA-N 2 0 243.370 1.234 20 0 BDADRP CCCC[C@H](CC)[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246558728 987985079 /nfs/dbraw/zinc/98/50/79/987985079.db2.gz MXUIWWJOBTXMLQ-QJPTWQEYSA-N 2 0 214.353 1.349 20 0 BDADRP CC(C)[C@H]1C[C@H](N2C[C@@H](C)[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246559626 987987775 /nfs/dbraw/zinc/98/77/75/987987775.db2.gz DOSIQHCZHZCXDT-FDYHWXHSSA-N 2 0 225.380 1.042 20 0 BDADRP C[C@@H]1C[C@H](N2CCC[C@@H](C[NH3+])[C@@H]2C)CC[NH2+]1 ZINC001246564361 988021510 /nfs/dbraw/zinc/02/15/10/988021510.db2.gz NBMJRJWIRBNIRX-MROQNXINSA-N 3 0 225.380 1.186 20 0 BDADRP CCCC[C@H](CC(C)C)[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246567780 988022578 /nfs/dbraw/zinc/02/25/78/988022578.db2.gz MSVBPLAEEOJLNN-MGPQQGTHSA-N 2 0 242.407 1.985 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246569499 988042105 /nfs/dbraw/zinc/04/21/05/988042105.db2.gz VHDNJFSJFMOHIO-HZSPNIEDSA-N 3 0 241.423 1.776 20 0 BDADRP C[C@@H]1CN([C@H]2CCc3cccc(F)c3C2)C[C@H]1[NH3+] ZINC001246569598 988053682 /nfs/dbraw/zinc/05/36/82/988053682.db2.gz WRRYLQYXJJZOBI-IFUGULHKSA-N 2 0 248.345 1.962 20 0 BDADRP C[C@]1(C[NH3+])CCCN([C@H]2CCC[NH2+]C2)CC1 ZINC001246574051 988067292 /nfs/dbraw/zinc/06/72/92/988067292.db2.gz IBHNRBOYZOBWCD-STQMWFEESA-N 2 0 225.380 1.189 20 0 BDADRP C[C@@H]1CN([C@H]2CC[NH2+][C@H](C(C)(C)C)C2)CC[NH2+]1 ZINC001246573170 988069975 /nfs/dbraw/zinc/06/99/75/988069975.db2.gz HXRINZGQLARKNV-AGIUHOORSA-N 2 0 239.407 1.447 20 0 BDADRP CC[C@H]1C[C@H](N2CCC[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC001246575961 988085426 /nfs/dbraw/zinc/08/54/26/988085426.db2.gz YDOHPQUHIBBIFZ-RWMBFGLXSA-N 2 0 225.380 1.201 20 0 BDADRP CC(C)CC[C@H](C)[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246578058 988091867 /nfs/dbraw/zinc/09/18/67/988091867.db2.gz FKQJAIQZGRHFLS-SRVKXCTJSA-N 2 0 214.353 1.063 20 0 BDADRP CCCCC(CCCC)[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246578303 988095214 /nfs/dbraw/zinc/09/52/14/988095214.db2.gz APUWKOWNOCRUBI-JSGCOSHPSA-N 2 0 242.407 1.987 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@@H+]([C@H]2CCC[NH2+]CC2)CC1 ZINC001246581076 988108413 /nfs/dbraw/zinc/10/84/13/988108413.db2.gz XQYLRRORUJOBMW-KBPBESRZSA-N 3 0 239.407 1.579 20 0 BDADRP C[C@H]1CC[C@H](N2CCC(CC[NH3+])CC2)C[NH2+]1 ZINC001246581573 988109011 /nfs/dbraw/zinc/10/90/11/988109011.db2.gz RTIZGAVJSPUBTP-AAEUAGOBSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@H]1C[C@@H]([NH+]2CCC(CC[NH3+])CC2)CC[NH2+]1 ZINC001246580755 988111169 /nfs/dbraw/zinc/11/11/69/988111169.db2.gz OPCZSBFMLVZYFK-AAEUAGOBSA-N 3 0 225.380 1.188 20 0 BDADRP [NH3+]C[C@H]1CCCC[N@@H+]([C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC001246582929 988127343 /nfs/dbraw/zinc/12/73/43/988127343.db2.gz PEWYGZUSMMTXEM-FVCCEPFGSA-N 2 0 208.349 1.846 20 0 BDADRP C[NH+]1CCC(N2CCCC[C@](C)(C[NH3+])C2)CC1 ZINC001246585030 988135137 /nfs/dbraw/zinc/13/51/37/988135137.db2.gz NWEPZCGIHMTECR-CQSZACIVSA-N 2 0 239.407 1.532 20 0 BDADRP C[NH+]1CCC(N2CCCC[C@@](C)(C[NH3+])C2)CC1 ZINC001246585028 988138344 /nfs/dbraw/zinc/13/83/44/988138344.db2.gz NWEPZCGIHMTECR-AWEZNQCLSA-N 2 0 239.407 1.532 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CC(C)(C)C1 ZINC001246586173 988139788 /nfs/dbraw/zinc/13/97/88/988139788.db2.gz RGSBJDUSWQZTGG-XQHKEYJVSA-N 2 0 240.391 1.453 20 0 BDADRP [NH3+]C[C@@H]1CCCCN(C2C[C@@H]3C=C[C@H](C2)[NH2+]3)C1 ZINC001246584832 988140016 /nfs/dbraw/zinc/14/00/16/988140016.db2.gz VCUODXSLCNZMKR-ICIURTGMSA-N 2 0 235.375 1.106 20 0 BDADRP C[C@@H]1C[C@H](N2CCCC[C@](C)(C[NH3+])C2)C[NH2+]1 ZINC001246586289 988143903 /nfs/dbraw/zinc/14/39/03/988143903.db2.gz SSLMKKIRPXRVQY-FRRDWIJNSA-N 2 0 225.380 1.188 20 0 BDADRP CC1(C[NH3+])C[NH+]([C@@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246587922 988154199 /nfs/dbraw/zinc/15/41/99/988154199.db2.gz AQFFCRDRSLIFMV-GFCCVEGCSA-N 3 0 237.391 1.189 20 0 BDADRP C[C@@H]1C[C@@H](N2C[C@@H](C[NH3+])CC[C@H]2C)CC[NH2+]1 ZINC001246593303 988181407 /nfs/dbraw/zinc/18/14/07/988181407.db2.gz RZEMEXWOQOHHFO-LPWJVIDDSA-N 2 0 225.380 1.186 20 0 BDADRP [NH3+]C[C@@H]1CCCC[N@@H+]([C@H]2CCC[NH2+]CC2)C1 ZINC001246594386 988185454 /nfs/dbraw/zinc/18/54/54/988185454.db2.gz QIULNFJFAMKGCA-STQMWFEESA-N 3 0 225.380 1.189 20 0 BDADRP C[NH2+]C1CCC([N@@H+]2CCCC[C@@H](C[NH3+])C2)CC1 ZINC001246595250 988186649 /nfs/dbraw/zinc/18/66/49/988186649.db2.gz SJROPDBXVPVFRE-HSBZDZAISA-N 3 0 239.407 1.578 20 0 BDADRP CC[C@@H]1C[C@H](N2CC[NH2+][C@H](C)CC2)CC[NH2+]1 ZINC001246595709 988187115 /nfs/dbraw/zinc/18/71/15/988187115.db2.gz PIXPUUBTYDQIDE-JHJVBQTASA-N 2 0 225.380 1.201 20 0 BDADRP [NH3+]C[C@@H]1CCCC[N@@H+]([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC001246593744 988190110 /nfs/dbraw/zinc/19/01/10/988190110.db2.gz NTHQSXJJANKBBB-FQUUOJAGSA-N 3 0 237.391 1.045 20 0 BDADRP CC(C)(C)[C@@H]1C[C@@H](N2CCC23C[NH2+]C3)CC[NH2+]1 ZINC001246609414 988229699 /nfs/dbraw/zinc/22/96/99/988229699.db2.gz YEEZGIGMSDPBBX-RYUDHWBXSA-N 2 0 237.391 1.201 20 0 BDADRP C1CC2(C[NH2+]C2)N1C1CCC2(CCC[NH2+]C2)CC1 ZINC001246610265 988240742 /nfs/dbraw/zinc/24/07/42/988240742.db2.gz MCRGIMDCXGIOFV-UHFFFAOYSA-N 2 0 249.402 1.347 20 0 BDADRP C1CN([C@H]2CCC[NH2+]CC2)[C@]2(C1)CCC[NH2+]C2 ZINC001246611994 988245357 /nfs/dbraw/zinc/24/53/57/988245357.db2.gz VZOKPAVPCYNXPP-KBPBESRZSA-N 2 0 237.391 1.347 20 0 BDADRP C1CC2(C1)CC[NH+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246619306 988269512 /nfs/dbraw/zinc/26/95/12/988269512.db2.gz LQVBMYIDXWDVQJ-CYBMUJFWSA-N 2 0 249.402 1.347 20 0 BDADRP C1CC12CNCC[N@@H+]2[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246621302 988273022 /nfs/dbraw/zinc/27/30/22/988273022.db2.gz CIUNJOBBHTTWQZ-ZIAGYGMSSA-N 2 0 249.402 1.347 20 0 BDADRP C1C[C@]2(CN1[C@@H]1CCCC[NH2+]C1)CCCC[NH2+]2 ZINC001246623368 988277304 /nfs/dbraw/zinc/27/73/04/988277304.db2.gz QDXYRZHXQZOCIV-KGLIPLIRSA-N 2 0 237.391 1.347 20 0 BDADRP C1CC2(CCCC2)[N@@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246623975 988278804 /nfs/dbraw/zinc/27/88/04/988278804.db2.gz NFAIJZLOBLRIJZ-LBPRGKRZSA-N 2 0 235.375 1.099 20 0 BDADRP C[C@@H](CC1CC1)[NH+]1CCC(F)(C[NH3+])CC1 ZINC001246626535 988290808 /nfs/dbraw/zinc/29/08/08/988290808.db2.gz JNCOLODOORREMK-JTQLQIEISA-N 2 0 214.328 1.938 20 0 BDADRP CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001496213630 988291938 /nfs/dbraw/zinc/29/19/38/988291938.db2.gz QEDCCDOEHMEIQE-NWDGAFQWSA-N 2 0 243.395 1.173 20 0 BDADRP C[C@@H]1CC[C@@H](N2CCC[C@]3(CC[NH2+]C3)C2)C[NH2+]1 ZINC001246628505 988293535 /nfs/dbraw/zinc/29/35/35/988293535.db2.gz LYCMIIKHPVWHBB-MGPQQGTHSA-N 2 0 237.391 1.202 20 0 BDADRP CC[C@H]1C[C@@H]([N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)CCO1 ZINC001246636257 988326568 /nfs/dbraw/zinc/32/65/68/988326568.db2.gz FZABYFZXUGTVPB-WUHRBBMRSA-N 2 0 224.348 1.380 20 0 BDADRP C[C@H]1CC[C@@H](N2CCC3(C2)CC[NH2+]CC3)C[NH2+]1 ZINC001246639034 988335821 /nfs/dbraw/zinc/33/58/21/988335821.db2.gz MXVUVTOTOOKDLZ-QWHCGFSZSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCCC23CC[NH2+]CC3)CC[NH2+]1 ZINC001246641948 988349084 /nfs/dbraw/zinc/34/90/84/988349084.db2.gz ALKNEEBHRNCOHC-CHWSQXEVSA-N 3 0 237.391 1.345 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3CCCO[C@H]3C2)CC[NH2+]1 ZINC001246646763 988361000 /nfs/dbraw/zinc/36/10/00/988361000.db2.gz HWWDQJPFDIZDQZ-RQJABVFESA-N 2 0 238.375 1.628 20 0 BDADRP C1C[NH2+]C[C@H](N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246645812 988362335 /nfs/dbraw/zinc/36/23/35/988362335.db2.gz VRCMPFSKHOLBKA-CYBMUJFWSA-N 2 0 237.391 1.204 20 0 BDADRP CC[C@H]1C[C@@H](N2C[C@H]3CCC[NH2+][C@H]3C2)CC[NH2+]1 ZINC001246655264 988377569 /nfs/dbraw/zinc/37/75/69/988377569.db2.gz GZOYPQGPNUKZBL-RFGFWPKPSA-N 2 0 237.391 1.201 20 0 BDADRP C[NH2+]CC[C@H](C)N1CCCC[C@@]12CCC[NH2+]C2 ZINC001246654144 988378798 /nfs/dbraw/zinc/37/87/98/988378798.db2.gz UVHYZLXWAAHYHP-KBPBESRZSA-N 2 0 239.407 1.593 20 0 BDADRP Cc1nc2c(n1[C@H]1CC[C@H](C)[NH2+]C1)CC[NH2+]CC2 ZINC001246660592 988390479 /nfs/dbraw/zinc/39/04/79/988390479.db2.gz DPNYRIHQCZSHER-JQWIXIFHSA-N 2 0 248.374 1.193 20 0 BDADRP CC[C@@H]1C[C@@H]([N@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246661517 988398457 /nfs/dbraw/zinc/39/84/57/988398457.db2.gz YBSKBUWEFQOCLM-QYVRYILPSA-N 3 0 237.391 1.185 20 0 BDADRP C1N([C@H]2CCC3(C2)CC[NH2+]CC3)CC12CCC[NH2+]2 ZINC001246669558 988412045 /nfs/dbraw/zinc/41/20/45/988412045.db2.gz SJFVFKCMSWQAEO-ZDUSSCGKSA-N 2 0 249.402 1.347 20 0 BDADRP C[C@H]1C[NH2+]CCN1[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246672889 988414712 /nfs/dbraw/zinc/41/47/12/988414712.db2.gz MRRDIKLWOCLEBD-AVGNSLFASA-N 2 0 239.407 1.447 20 0 BDADRP CC[C@H]1CC(N2C[C@H]3C[C@@H](C2)[NH2+]3)C[C@H](CC)[NH2+]1 ZINC001246674670 988418470 /nfs/dbraw/zinc/41/84/70/988418470.db2.gz ACQWSSZSVYLUPX-ZDEQEGDKSA-N 2 0 237.391 1.342 20 0 BDADRP C[C@@H]1C[C@@H](N(C)[C@@H]2CCC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC001246679526 988424052 /nfs/dbraw/zinc/42/40/52/988424052.db2.gz QIYPPOYMXHVDOD-YVECIDJPSA-N 2 0 225.380 1.199 20 0 BDADRP C1[C@@H]2CN([C@H]3CC[NH2+]C4(CCCCC4)C3)C[C@H]1[NH2+]2 ZINC001246677748 988426520 /nfs/dbraw/zinc/42/65/20/988426520.db2.gz NJXMOUFBNOCLQD-MJBXVCDLSA-N 2 0 249.402 1.487 20 0 BDADRP CCCC[C@@H]1C[C@@H](N(C)CCC[NH3+])CC[NH2+]1 ZINC001246682576 988430081 /nfs/dbraw/zinc/43/00/81/988430081.db2.gz WEIUPBHQEWHWBS-OLZOCXBDSA-N 2 0 227.396 1.578 20 0 BDADRP C[C@@H]1CC[C@@H](N(C)CC2CC[NH2+]CC2)C[NH2+]1 ZINC001246679781 988432074 /nfs/dbraw/zinc/43/20/74/988432074.db2.gz XTCWBWNPDYXGQW-DGCLKSJQSA-N 2 0 225.380 1.058 20 0 BDADRP C[NH2+]CC[C@H](C)N1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001246692232 988437544 /nfs/dbraw/zinc/43/75/44/988437544.db2.gz NHRNMHLUGPQOJF-AVGNSLFASA-N 2 0 243.370 1.008 20 0 BDADRP CC[C@@H]1C[C@@H](N2CC[NH2+]C[C@H]2C(C)C)CC[NH2+]1 ZINC001246695019 988440959 /nfs/dbraw/zinc/44/09/59/988440959.db2.gz KHBIBRUUQHAFCB-RDBSUJKOSA-N 2 0 239.407 1.447 20 0 BDADRP CN(CCC1CC[NH2+]CC1)[C@@H]1CCCC[NH2+]C1 ZINC001246798778 988479084 /nfs/dbraw/zinc/47/90/84/988479084.db2.gz RYBZSOAYBPXHQZ-CQSZACIVSA-N 2 0 239.407 1.450 20 0 BDADRP CC[C@@H]1C[C@H](N2CC[NH2+]CC2(C)C)CC[NH2+]1 ZINC001246810562 988488915 /nfs/dbraw/zinc/48/89/15/988488915.db2.gz NWTYFNMUMWNNFB-VXGBXAGGSA-N 2 0 225.380 1.201 20 0 BDADRP COC(C)(C)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC001246809273 988492186 /nfs/dbraw/zinc/49/21/86/988492186.db2.gz GOJVKGRLWMSUGW-GFCCVEGCSA-N 2 0 226.364 1.628 20 0 BDADRP C[NH2+]CC[C@H](C)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001246829736 988521971 /nfs/dbraw/zinc/52/19/71/988521971.db2.gz DDVIFXRULCXZIM-GXTWGEPZSA-N 3 0 239.407 1.448 20 0 BDADRP CCCC[C@H](CCC)N(CC[NH3+])CC[NH3+] ZINC001246831345 988522133 /nfs/dbraw/zinc/52/21/33/988522133.db2.gz NOQBXTYZIHVXCC-LBPRGKRZSA-N 2 0 215.385 1.565 20 0 BDADRP COC(=O)CC[C@@H]1CC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001246834161 988531986 /nfs/dbraw/zinc/53/19/86/988531986.db2.gz MQKCBDGNMUIOHC-LLVKDONJSA-N 2 0 240.347 1.014 20 0 BDADRP CC(C)[C@H]1C[C@H](N2CCC[C@H]2CC[NH3+])CC[NH2+]1 ZINC001246835045 988534660 /nfs/dbraw/zinc/53/46/60/988534660.db2.gz YGJYQMFQOZOORG-BFHYXJOUSA-N 2 0 239.407 1.576 20 0 BDADRP CC[C@H](C[C@@H](C)CC)N(CC[NH3+])CC[NH3+] ZINC001246834440 988535348 /nfs/dbraw/zinc/53/53/48/988535348.db2.gz UVZSHZLTJRLBFH-NWDGAFQWSA-N 2 0 215.385 1.421 20 0 BDADRP COC(=O)C[C@@H]1CCC[N@@H+]1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246838392 988536933 /nfs/dbraw/zinc/53/69/33/988536933.db2.gz HGGLFAHUGXJBTA-GRYCIOLGSA-N 2 0 240.347 1.154 20 0 BDADRP CN(C[C@H]1CCC[NH2+]C1)[C@H]1CCCC[NH2+]C1 ZINC001246845414 988559472 /nfs/dbraw/zinc/55/94/72/988559472.db2.gz FZGVDDHBAJEYDH-STQMWFEESA-N 2 0 225.380 1.060 20 0 BDADRP C[C@H]1C[C@@H](N2CCC[N@@H+]3CCC[C@H]3C2)CC[NH2+]1 ZINC001246846419 988559568 /nfs/dbraw/zinc/55/95/68/988559568.db2.gz HFJODXIOFRRLJS-IHRRRGAJSA-N 2 0 237.391 1.297 20 0 BDADRP CCN([C@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]CC1 ZINC001246851874 988569769 /nfs/dbraw/zinc/56/97/69/988569769.db2.gz ATJROJOLGKSPRA-OLZOCXBDSA-N 2 0 225.380 1.202 20 0 BDADRP CC1(C)[C@@H]2C[C@@H]([N@@H+]3C[C@@H]4CC[C@]4([NH3+])C3)C[C@@H]21 ZINC001246851801 988572896 /nfs/dbraw/zinc/57/28/96/988572896.db2.gz HPWQBYIUZYMOPW-GCQYFTOKSA-N 2 0 220.360 1.844 20 0 BDADRP C[C@H]1CCC[C@@H]([N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])C1 ZINC001246859917 988595582 /nfs/dbraw/zinc/59/55/82/988595582.db2.gz MPAYCNIFCHUQNT-UKIXVXPJSA-N 2 0 238.375 1.471 20 0 BDADRP COC(=O)C[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001246862645 988596732 /nfs/dbraw/zinc/59/67/32/988596732.db2.gz MFBNYPBUPLXRLU-NSHDSACASA-N 2 0 240.347 1.014 20 0 BDADRP C1CC1N(C1C[NH2+]C1)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246865709 988619782 /nfs/dbraw/zinc/61/97/82/988619782.db2.gz WPVGLEILOXCHSN-CYBMUJFWSA-N 2 0 249.402 1.345 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N2CCC[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC001246876681 988642258 /nfs/dbraw/zinc/64/22/58/988642258.db2.gz LTQRNJZQBFUBII-IHRRRGAJSA-N 2 0 239.407 1.447 20 0 BDADRP C[C@@H]1CC[C@@H](N2CC3(C2)CC[NH+](C)CC3)C[NH2+]1 ZINC001246875495 988643604 /nfs/dbraw/zinc/64/36/04/988643604.db2.gz WWRXRENHSFHKPQ-CHWSQXEVSA-N 2 0 237.391 1.155 20 0 BDADRP C[C@@H]1C[C@H](N2CCC3(C[NH+](C)C3)CC2)CC[NH2+]1 ZINC001246875886 988646208 /nfs/dbraw/zinc/64/62/08/988646208.db2.gz PVBDBUPGPPMIIP-CHWSQXEVSA-N 2 0 237.391 1.155 20 0 BDADRP C[C@H]1C[C@@H]([N@@H+]2CCc3cc(N)ccc3C2)CC[NH2+]1 ZINC001246884383 988649978 /nfs/dbraw/zinc/64/99/78/988649978.db2.gz SRXDHCWAOWKCSZ-NHYWBVRUSA-N 2 0 245.370 1.767 20 0 BDADRP CC(C)[C@H]1CCC[N@@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246887311 988652792 /nfs/dbraw/zinc/65/27/92/988652792.db2.gz LJVJYMMMKJAFPV-QWHCGFSZSA-N 2 0 237.391 1.201 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N(C)C[C@@H]1CCC[NH2+]1 ZINC001246890166 988660281 /nfs/dbraw/zinc/66/02/81/988660281.db2.gz UTKAAHZMBHZKKX-KGLIPLIRSA-N 2 0 241.423 1.791 20 0 BDADRP CCCC[C@@H]1CN(C2C[C@@H]3C=C[C@H](C2)[NH2+]3)CC[NH2+]1 ZINC001246890607 988661685 /nfs/dbraw/zinc/66/16/85/988661685.db2.gz JHSKIGCYVHAZCI-PEUVFPKISA-N 2 0 249.402 1.509 20 0 BDADRP CCCC[C@H]1CN([C@@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC001246902122 988674137 /nfs/dbraw/zinc/67/41/37/988674137.db2.gz HVJQRYAFLAXYHE-UONOGXRCSA-N 2 0 239.407 1.593 20 0 BDADRP CC[C@@H]1C[C@H](N2CC[C@H]2[NH2+]C)C[C@H](CC)[NH2+]1 ZINC001246899904 988676348 /nfs/dbraw/zinc/67/63/48/988676348.db2.gz QWZCISLUGVPGHQ-LOWDOPEQSA-N 2 0 225.380 1.547 20 0 BDADRP C[NH2+]CC[C@@H](C)N(C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001246907702 988687858 /nfs/dbraw/zinc/68/78/58/988687858.db2.gz UJYXPCNVCBKKMH-DGCLKSJQSA-N 2 0 225.380 1.201 20 0 BDADRP CC(C)[N@H+](C)[C@H]1CCN([C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC001246908123 988688626 /nfs/dbraw/zinc/68/86/26/988688626.db2.gz FSWUGDJQRXPPTM-RDBSUJKOSA-N 2 0 239.407 1.541 20 0 BDADRP C[C@H]1CC[C@H](N(C)C2(C)CC[NH2+]CC2)C[NH2+]1 ZINC001246911054 988693255 /nfs/dbraw/zinc/69/32/55/988693255.db2.gz PBTCLOBKNALYEC-RYUDHWBXSA-N 2 0 225.380 1.201 20 0 BDADRP C[NH2+]C1CCC(N(C)[C@]2(C)CCC[NH2+]C2)CC1 ZINC001246913525 988696998 /nfs/dbraw/zinc/69/69/98/988696998.db2.gz QVYDDMLTDMWIOZ-JXQTWKCFSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@H]1C[C@@H](N(C2CC2)[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246915056 988703988 /nfs/dbraw/zinc/70/39/88/988703988.db2.gz KDQSDJFHTCQQCG-UBHSHLNASA-N 2 0 237.391 1.343 20 0 BDADRP C[NH2+]CC[C@H](C)[N@H+](C)C1CCC([NH2+]C)CC1 ZINC001246914506 988705989 /nfs/dbraw/zinc/70/59/89/988705989.db2.gz CQRCCLGPWVZOKZ-HIFPTAJRSA-N 3 0 227.396 1.447 20 0 BDADRP c1cn(C2CC[NH2+]CC2)c2c1C[NH2+]CC2 ZINC001246919962 988725534 /nfs/dbraw/zinc/72/55/34/988725534.db2.gz IFPLFRGQXVWWRV-UHFFFAOYSA-N 2 0 205.305 1.058 20 0 BDADRP CC(C)[N@H+](CCCCCO)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246925066 988753980 /nfs/dbraw/zinc/75/39/80/988753980.db2.gz KULQREPLQKLFCQ-KGLIPLIRSA-N 2 0 242.407 2.000 20 0 BDADRP C1[NH2+]CC12CC[C@H]([N@H+]1C[C@@H]3CC[NH2+]CC[C@@H]3C1)C2 ZINC001246930998 988757878 /nfs/dbraw/zinc/75/78/78/988757878.db2.gz LRLQAWFRHWDLCD-MJBXVCDLSA-N 3 0 249.402 1.060 20 0 BDADRP CCCN([C@@H]1CC[NH2+]C1)C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246930364 988762176 /nfs/dbraw/zinc/76/21/76/988762176.db2.gz UQJLWJCHWGGOCS-JHJVBQTASA-N 2 0 239.407 1.589 20 0 BDADRP CCCN([C@@H]1CC[NH2+]C1)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246932562 988762746 /nfs/dbraw/zinc/76/27/46/988762746.db2.gz BISHBPVQOPKONW-YNEHKIRRSA-N 2 0 225.380 1.201 20 0 BDADRP CCC[C@@H]1C[NH2+]CCN1C1C[C@@H]2C=C[C@H](C1)[NH2+]2 ZINC001246939919 988771257 /nfs/dbraw/zinc/77/12/57/988771257.db2.gz ZXMBGNJOOYXSLE-RBKKPWLPSA-N 2 0 235.375 1.119 20 0 BDADRP C[C@H]1CC(N2C[C@H](C)[NH2+][C@@H](C)C2)C[C@H](C)[NH2+]1 ZINC001246944173 988778488 /nfs/dbraw/zinc/77/84/88/988778488.db2.gz QWIGGUPVRBECKC-BJDJZHNGSA-N 2 0 225.380 1.198 20 0 BDADRP C[C@@H]1CN([C@@H]2CC3CC[NH+](CC3)C2)C[C@H](C)[NH2+]1 ZINC001246964745 988792911 /nfs/dbraw/zinc/79/29/11/988792911.db2.gz NBXMJYROVGLWCR-MBNYWOFBSA-N 2 0 237.391 1.153 20 0 BDADRP CC(C)N([C@H]1CC[NH2+]C1)C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246966046 988794646 /nfs/dbraw/zinc/79/46/46/988794646.db2.gz JKTCVWFJHGIQNH-UPJWGTAASA-N 2 0 239.407 1.588 20 0 BDADRP C[NH2+]C1CCC(N(C(C)C)[C@H]2CC[NH2+]C2)CC1 ZINC001246965997 988795785 /nfs/dbraw/zinc/79/57/85/988795785.db2.gz IQSPYDXTJMQRRK-RUXDESIVSA-N 2 0 239.407 1.589 20 0 BDADRP CC[C@H]1C[C@H](N(C2CC2)[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC001246969051 988800272 /nfs/dbraw/zinc/80/02/72/988800272.db2.gz SJXJXOOHKCDOEX-IACUBPJLSA-N 2 0 237.391 1.343 20 0 BDADRP C[NH2+]CC[C@H](C)N(C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001246971648 988800756 /nfs/dbraw/zinc/80/07/56/988800756.db2.gz HVFWBLSXYNXVHH-STQMWFEESA-N 2 0 239.407 1.448 20 0 BDADRP COC(=O)C[C@H]1CC[N@@H+]([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246970261 988800956 /nfs/dbraw/zinc/80/09/56/988800956.db2.gz YTECPAIIXWQLPB-UTUOFQBUSA-N 2 0 240.347 1.012 20 0 BDADRP C[C@@H]1C[C@@H](N(C[C@H]2CCC[NH2+]C2)C2CC2)C[NH2+]1 ZINC001246976247 988802825 /nfs/dbraw/zinc/80/28/25/988802825.db2.gz VUSXFIAJHXXHTA-MBNYWOFBSA-N 2 0 237.391 1.201 20 0 BDADRP CC[C@H]([NH3+])CN(C)[C@@H]1CC[NH2+][C@H](CC)C1 ZINC001246975419 988803912 /nfs/dbraw/zinc/80/39/12/988803912.db2.gz UGHWCSRIYCHDHN-QJPTWQEYSA-N 2 0 213.369 1.186 20 0 BDADRP CC[C@H]([NH3+])CN(C)C1CC[NH+](C(C)C)CC1 ZINC001246973208 988804481 /nfs/dbraw/zinc/80/44/81/988804481.db2.gz IMGPQXCBBOFODW-LBPRGKRZSA-N 2 0 227.396 1.528 20 0 BDADRP C[C@H](N)C[N@H+](C)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246980807 988810913 /nfs/dbraw/zinc/81/09/13/988810913.db2.gz LEMPATRSEYVZHZ-HSBZDZAISA-N 2 0 239.407 1.578 20 0 BDADRP CC[NH+]1C[C@@H]2CN([C@@H]3CC[C@H](C)[NH2+]C3)C[C@H]2C1 ZINC001246979049 988812436 /nfs/dbraw/zinc/81/24/36/988812436.db2.gz LLRBQHMMXMGQQN-REWJHTLYSA-N 2 0 237.391 1.010 20 0 BDADRP C1CC(N([C@H]2CCC[NH2+]C2)[C@H]2CCC[NH2+]C2)C1 ZINC001246984777 988816509 /nfs/dbraw/zinc/81/65/09/988816509.db2.gz HBSFVUYYSNBSQK-KBPBESRZSA-N 2 0 237.391 1.345 20 0 BDADRP C[C@@H]1C[C@H](N2CC(F)(F)CC[C@@H]2C[NH3+])CC[NH2+]1 ZINC001246989550 988822309 /nfs/dbraw/zinc/82/23/09/988822309.db2.gz UFWMPHJDQVXQRG-GMTAPVOTSA-N 2 0 247.333 1.185 20 0 BDADRP CC[C@H]1C[C@H](N2CC[NH2+][C@H](C)CC2)CC[NH2+]1 ZINC001246992696 988823760 /nfs/dbraw/zinc/82/37/60/988823760.db2.gz PIXPUUBTYDQIDE-FRRDWIJNSA-N 2 0 225.380 1.201 20 0 BDADRP CC[C@@H]1C[C@@H](N2CC[NH2+]C3=CCCC[C@H]32)CC[NH2+]1 ZINC001246995814 988827537 /nfs/dbraw/zinc/82/75/37/988827537.db2.gz MXPLEOSUALTOKL-VNHYZAJKSA-N 2 0 249.402 1.859 20 0 BDADRP C[C@H]1C[C@@H](N2CC[NH2+]C3=CCCC[C@@H]32)CC[NH2+]1 ZINC001246996529 988828341 /nfs/dbraw/zinc/82/83/41/988828341.db2.gz PBGBFFFZAKGMPQ-OBJOEFQTSA-N 2 0 235.375 1.469 20 0 BDADRP C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)C[NH2+]1 ZINC001247000604 988831369 /nfs/dbraw/zinc/83/13/69/988831369.db2.gz FISMBYUVWVUDRV-NDBYEHHHSA-N 2 0 236.359 1.428 20 0 BDADRP C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)C[NH2+]1 ZINC001247000602 988832836 /nfs/dbraw/zinc/83/28/36/988832836.db2.gz FISMBYUVWVUDRV-FVCCEPFGSA-N 2 0 236.359 1.428 20 0 BDADRP O=C1CCC[C@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]12 ZINC001247006157 988835547 /nfs/dbraw/zinc/83/55/47/988835547.db2.gz TWAVRUQGQFBBSE-BEUHCMRWSA-N 2 0 248.370 1.570 20 0 BDADRP C1C[C@H]2CC(N3CC[C@@H]4[NH2+]CCC[C@H]4C3)C[C@@H]1[NH2+]2 ZINC001247016984 988845408 /nfs/dbraw/zinc/84/54/08/988845408.db2.gz ZLQNYRLSQZGNNV-WQKZHXONSA-N 2 0 249.402 1.343 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1C2CCC1(CO)CC2 ZINC000722979748 988854559 /nfs/dbraw/zinc/85/45/59/988854559.db2.gz PVKIDIJQBNILGV-UHFFFAOYSA-N 2 0 226.364 1.495 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+]CC[C@@H](C)[NH+](C)C ZINC001119449512 989079088 /nfs/dbraw/zinc/07/90/88/989079088.db2.gz ACBYUAUFVINFAA-VXGBXAGGSA-N 2 0 224.352 1.201 20 0 BDADRP C[NH2+][C@@H](C)CC[NH2+][C@H](C)CCCC[NH3+] ZINC001325756455 989241034 /nfs/dbraw/zinc/24/10/34/989241034.db2.gz UYSUJLFRDZQAJJ-WDEREUQCSA-N 3 0 201.358 1.092 20 0 BDADRP C[C@H]1C[N@H+](CCOCC2CC2)CC[C@@H]1C[NH3+] ZINC001119617605 989246628 /nfs/dbraw/zinc/24/66/28/989246628.db2.gz RQYCABCLNZTJKD-WCQYABFASA-N 2 0 226.364 1.330 20 0 BDADRP NC1(c2noc(C34CCC[NH+]3CCC4)n2)CC1 ZINC001119621055 989249743 /nfs/dbraw/zinc/24/97/43/989249743.db2.gz ZPOWZVZPMCTJFH-UHFFFAOYSA-N 2 0 234.303 1.102 20 0 BDADRP C[NH2+][C@H](C)CCN[C@@H]1CC[NH2+]C12CCCC2 ZINC001119631201 989268655 /nfs/dbraw/zinc/26/86/55/989268655.db2.gz POYFTRHNJQRPMY-VXGBXAGGSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(=O)[nH]n1 ZINC001325887679 989298548 /nfs/dbraw/zinc/29/85/48/989298548.db2.gz IOJIYAFHHDOWJN-JTQLQIEISA-N 2 0 248.330 1.095 20 0 BDADRP C[C@H]([NH3+])CN1C[C@H](CC[NH3+])c2ccccc21 ZINC001119684370 989336275 /nfs/dbraw/zinc/33/62/75/989336275.db2.gz UUZBGUDECGJMDL-QWRGUYRKSA-N 2 0 219.332 1.286 20 0 BDADRP C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC001326038769 989337414 /nfs/dbraw/zinc/33/74/14/989337414.db2.gz MIJHEMCZASFMLZ-NTZNESFSSA-N 2 0 241.379 1.008 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C/C=C\C1CC1 ZINC001119705795 989353987 /nfs/dbraw/zinc/35/39/87/989353987.db2.gz ZDQLTUUXPJQURK-WPORHVLPSA-N 2 0 220.360 1.882 20 0 BDADRP CC(C)[C@H](N)c1nc([C@@H](N)c2ccccc2)no1 ZINC001326204516 989425048 /nfs/dbraw/zinc/42/50/48/989425048.db2.gz SGYVXVFFWINUPJ-QWRGUYRKSA-N 2 0 246.314 1.774 20 0 BDADRP [NH3+]Cc1cccc(-c2ccc([C@@H]([NH3+])CO)cc2)c1 ZINC001520123207 989512233 /nfs/dbraw/zinc/51/22/33/989512233.db2.gz DKSHBXFASGFPII-HNNXBMFYSA-N 2 0 242.322 1.804 20 0 BDADRP [NH3+]CC1CCC([NH2+]CC[C@@H](O)C2CC2)CC1 ZINC001120255256 989618303 /nfs/dbraw/zinc/61/83/03/989618303.db2.gz CGWYEJJBPZUFQC-KGPNIALWSA-N 2 0 226.364 1.255 20 0 BDADRP CC[C@]1(C(=O)N[C@@H](C)CCCC[NH3+])CC[NH2+]C1 ZINC001326780820 989700491 /nfs/dbraw/zinc/70/04/91/989700491.db2.gz OMEXYGOAWOZTFH-AAEUAGOBSA-N 2 0 241.379 1.010 20 0 BDADRP C[NH2+][C@@H](C)CCNC(=O)[C@H]([NH3+])c1ccccc1C ZINC001326781214 989702678 /nfs/dbraw/zinc/70/26/78/989702678.db2.gz QIXUNSUPBIOAGE-WCQYABFASA-N 2 0 249.358 1.109 20 0 BDADRP CC(C)CC[C@H](O)C[NH2+]CCCC[NH+](C)C ZINC001120574399 989742601 /nfs/dbraw/zinc/74/26/01/989742601.db2.gz YSASNLVOERHSHY-ZDUSSCGKSA-N 2 0 230.396 1.715 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC001521900138 989812966 /nfs/dbraw/zinc/81/29/66/989812966.db2.gz JZXBPVZFMSSCEV-UTUOFQBUSA-N 2 0 241.379 1.088 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001523524622 989929410 /nfs/dbraw/zinc/92/94/10/989929410.db2.gz DKDQSYIMKJBKFB-WCQYABFASA-N 2 0 241.379 1.152 20 0 BDADRP C[NH2+]CCCCC(=O)N[C@@H](C)CCCC[NH3+] ZINC001121939419 990144547 /nfs/dbraw/zinc/14/45/47/990144547.db2.gz IYNZROMQNZNMNP-NSHDSACASA-N 2 0 229.368 1.010 20 0 BDADRP C[C@@H]1C[C@H](C(=O)NC(C)(C)CCC[NH3+])CC[NH2+]1 ZINC001122023350 990191954 /nfs/dbraw/zinc/19/19/54/990191954.db2.gz ZXUZZDPJIUQPQK-GHMZBOCLSA-N 2 0 241.379 1.008 20 0 BDADRP CC(C)C[C@@H]([NH3+])CC(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC001122047015 990206340 /nfs/dbraw/zinc/20/63/40/990206340.db2.gz JZXBPVZFMSSCEV-GRYCIOLGSA-N 2 0 241.379 1.088 20 0 BDADRP [NH3+]Cc1ccccc1NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC001122346345 990352338 /nfs/dbraw/zinc/35/23/38/990352338.db2.gz PPJPANJTVBPBEQ-SMDDNHRTSA-N 2 0 245.326 1.083 20 0 BDADRP CC[NH+](CC)CC[C@H](C)NC(=O)[C@H](C)C[NH2+]C ZINC001122512728 990404266 /nfs/dbraw/zinc/40/42/66/990404266.db2.gz LFGNADGYWDXFTA-NEPJUHHUSA-N 2 0 243.395 1.079 20 0 BDADRP CC(C)=CCC[C@H](C)N(CC[NH3+])CCO ZINC001258079369 990977858 /nfs/dbraw/zinc/97/78/58/990977858.db2.gz OPOGWQIAKYKUAR-LBPRGKRZSA-N 2 0 214.353 1.374 20 0 BDADRP CSCC[C@H](C)[NH2+]CCC[N@H+](C)CCO ZINC001258211188 991128922 /nfs/dbraw/zinc/12/89/22/991128922.db2.gz GVAPSEIOSWSCRS-NSHDSACASA-N 2 0 234.409 1.032 20 0 BDADRP CC[C@@H](COC)[NH2+]C[C@H]1C[NH+]2CCC1CC2 ZINC001308966627 991237992 /nfs/dbraw/zinc/23/79/92/991237992.db2.gz WGONLOSLQILBBK-STQMWFEESA-N 2 0 226.364 1.343 20 0 BDADRP CCC1(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)COC1 ZINC001202937356 991251458 /nfs/dbraw/zinc/25/14/58/991251458.db2.gz YDVGBRBRNJQDQG-OLZOCXBDSA-N 2 0 238.375 1.297 20 0 BDADRP COC(=O)CC[C@@H](C)[NH2+]C(C)(C)CC[NH+](C)C ZINC001258352928 991291517 /nfs/dbraw/zinc/29/15/17/991291517.db2.gz KFBDKSRZSOSOSF-LLVKDONJSA-N 2 0 244.379 1.648 20 0 BDADRP C[NH+](C)CC1CC[NH+](Cc2ccnnc2)CC1 ZINC001139983036 991454775 /nfs/dbraw/zinc/45/47/75/991454775.db2.gz LDQJWIAJMXDQAF-UHFFFAOYSA-N 2 0 234.347 1.250 20 0 BDADRP CC1(C)CC[C@@H](NC(=[NH2+])SCC[NH3+])C1 ZINC001258594145 991491505 /nfs/dbraw/zinc/49/15/05/991491505.db2.gz BGNVZEUEBGEDHY-MRVPVSSYSA-N 2 0 215.366 1.781 20 0 BDADRP CC[NH2+][C@H](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001317396081 991497505 /nfs/dbraw/zinc/49/75/05/991497505.db2.gz CCRTUDUPYSBZGK-NEPJUHHUSA-N 2 0 243.395 1.077 20 0 BDADRP C[C@@H](Cc1cccnc1)[NH2+]CCC[NH+](C)C ZINC001258609712 991531386 /nfs/dbraw/zinc/53/13/86/991531386.db2.gz TUICLMKALCAFNV-LBPRGKRZSA-N 2 0 221.348 1.554 20 0 BDADRP C[C@H](Cc1cccnc1)[NH2+]CCSCC[NH3+] ZINC001258615215 991542462 /nfs/dbraw/zinc/54/24/62/991542462.db2.gz FNQIMJCFIGHKGC-LLVKDONJSA-N 2 0 239.388 1.294 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CC[C@H](O)[C@H](F)C2)CC1 ZINC001561043091 991702001 /nfs/dbraw/zinc/70/20/01/991702001.db2.gz PPCFZLOUWHARMU-OLZOCXBDSA-N 2 0 244.354 1.123 20 0 BDADRP CCC[NH+]1CCC(n2ccnc2[C@@H](C)[NH3+])CC1 ZINC001258767741 991731145 /nfs/dbraw/zinc/73/11/45/991731145.db2.gz KRWNXOAGOXEPBU-LLVKDONJSA-N 2 0 236.363 1.950 20 0 BDADRP CCC[NH+]1CCC([NH2+]CCc2ccncn2)CC1 ZINC001258771063 991732372 /nfs/dbraw/zinc/73/23/72/991732372.db2.gz UCQREAAMRVPUJJ-UHFFFAOYSA-N 2 0 248.374 1.483 20 0 BDADRP C[C@H]1CCC[C@H]([NH2+]CCSCC[NH3+])C1 ZINC001258815924 991803089 /nfs/dbraw/zinc/80/30/89/991803089.db2.gz VLFRDBKUARAEQI-QWRGUYRKSA-N 2 0 216.394 1.847 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](COC)C2CC2)C1 ZINC001319189391 991813441 /nfs/dbraw/zinc/81/34/41/991813441.db2.gz FSHVKRIEVBXEJN-TZMCWYRMSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1CCC[C@H]([NH2+]CCN(C)CC[NH3+])C1 ZINC001258816132 991830033 /nfs/dbraw/zinc/83/00/33/991830033.db2.gz YDWSUFSBPVAGEZ-NEPJUHHUSA-N 2 0 213.369 1.045 20 0 BDADRP CC[C@@H](Cc1ccccc1)[NH2+]CCN(C)CC[NH3+] ZINC001258839751 991870330 /nfs/dbraw/zinc/87/03/30/991870330.db2.gz JGUPWIOCFKFEGS-HNNXBMFYSA-N 2 0 249.402 1.488 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C[C@@H]1CCO1 ZINC001258899019 991889999 /nfs/dbraw/zinc/88/99/99/991889999.db2.gz BBISKNYSOSTDKO-OLZOCXBDSA-N 2 0 228.380 1.875 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C1(CO)CC1 ZINC001258899456 991895288 /nfs/dbraw/zinc/89/52/88/991895288.db2.gz MPZYIQDOOHOWGK-LBPRGKRZSA-N 2 0 228.380 1.611 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@]1(C)C[C@H](O)C1 ZINC001258900011 991896920 /nfs/dbraw/zinc/89/69/20/991896920.db2.gz YHIHXHJJGDOVHK-IHRRRGAJSA-N 2 0 242.407 2.000 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CC(C)(CO)C1 ZINC001258907356 991902044 /nfs/dbraw/zinc/90/20/44/991902044.db2.gz JKFYERHWPXCHEA-CYBMUJFWSA-N 2 0 242.407 1.811 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCCO)[C@H](C)C1 ZINC001319604094 991907911 /nfs/dbraw/zinc/90/79/11/991907911.db2.gz QPFFFNSAJVRBPA-CHWSQXEVSA-N 2 0 228.380 1.421 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]Cc1ccccc1N1CCCC1 ZINC001261370904 992278684 /nfs/dbraw/zinc/27/86/84/992278684.db2.gz YRBJDJRRDOCXKQ-ZDUSSCGKSA-N 2 0 247.386 1.971 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)NCc1ccccc1C[NH3+] ZINC001261491875 992337610 /nfs/dbraw/zinc/33/76/10/992337610.db2.gz JLAYNENRLIWFSU-AWEZNQCLSA-N 2 0 249.358 1.279 20 0 BDADRP CC[N@H+](C)CCC(=O)N(C)CCC[NH2+]C(C)C ZINC001569254879 992349335 /nfs/dbraw/zinc/34/93/35/992349335.db2.gz GMZHLOHBGOGZJA-UHFFFAOYSA-N 2 0 243.395 1.175 20 0 BDADRP CCOC1CC([NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)C1 ZINC001474756858 992520737 /nfs/dbraw/zinc/52/07/37/992520737.db2.gz MYCSBRKICAPAEC-YOMYCBHVSA-N 2 0 238.375 1.484 20 0 BDADRP COC[C@H](C)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001261849761 992524212 /nfs/dbraw/zinc/52/42/12/992524212.db2.gz OHBGPTVDLQUDCN-LBPRGKRZSA-N 2 0 226.364 1.487 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)N1CCC([NH3+])(CC)CC1 ZINC001262043913 992630345 /nfs/dbraw/zinc/63/03/45/992630345.db2.gz LVWPLNBVABZYKZ-GFCCVEGCSA-N 2 0 241.379 1.234 20 0 BDADRP C[NH2+]C[C@H](C)CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC001262202528 992800783 /nfs/dbraw/zinc/80/07/83/992800783.db2.gz WGJNIXZZWXGMBB-QNWHQSFQSA-N 2 0 239.407 1.208 20 0 BDADRP C([C@H]1CCCC[NH2+]C1)N(C1CC1)C1COC1 ZINC001574794262 992906497 /nfs/dbraw/zinc/90/64/97/992906497.db2.gz CFYMYNDPCYPURI-NSHDSACASA-N 2 0 224.348 1.239 20 0 BDADRP O[C@H](C[NH2+]CCC[NH+]1CCCCCC1)C1CC1 ZINC001262558151 992909074 /nfs/dbraw/zinc/90/90/74/992909074.db2.gz WQHOIIJUKZUKBI-CQSZACIVSA-N 2 0 240.391 1.613 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)[NH+]1CC(C2CCOCC2)C1 ZINC001574801130 992913467 /nfs/dbraw/zinc/91/34/67/992913467.db2.gz NQSQBLIGPHKKAX-GFCCVEGCSA-N 2 0 238.375 1.344 20 0 BDADRP C([NH2+][C@]12CCC[C@H]1[NH2+]CC2)[C@@H]1C[C@]12CCOC2 ZINC001574817105 992921183 /nfs/dbraw/zinc/92/11/83/992921183.db2.gz RCZVXXWXVSXKGX-CRWXNKLISA-N 2 0 236.359 1.287 20 0 BDADRP C/C(=C/c1ccccc1)C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC001574978783 992956500 /nfs/dbraw/zinc/95/65/00/992956500.db2.gz BLSAGULCUPBTJW-IZDYIRMOSA-N 2 0 246.354 1.260 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])C[NH2+]C[C@H]1COCO1 ZINC001575130088 992993697 /nfs/dbraw/zinc/99/36/97/992993697.db2.gz FIBKUAMLQZKHDZ-MNOVXSKESA-N 2 0 230.352 1.103 20 0 BDADRP CC(C)(C)CC[C@@H](CO)[NH2+]C1CC(CC[NH3+])C1 ZINC001575130020 992994651 /nfs/dbraw/zinc/99/46/51/992994651.db2.gz DAHQKFBRFDQOMI-CPCZMJQVSA-N 2 0 242.407 1.891 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])C[NH2+]CCC1(CO)CC1 ZINC001575130253 992994566 /nfs/dbraw/zinc/99/45/66/992994566.db2.gz HUXDNEYTLHEOPG-GFCCVEGCSA-N 2 0 242.407 1.892 20 0 BDADRP CC(C)(C)[NH+]1CCC(N[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001575140376 992996457 /nfs/dbraw/zinc/99/64/57/992996457.db2.gz RIYOGBHGDRITHL-UMSPYCQHSA-N 2 0 225.380 1.329 20 0 BDADRP CC[N@@H+]1CCC[C@H](CNc2nccnc2C[NH3+])C1 ZINC001262681523 993022153 /nfs/dbraw/zinc/02/21/53/993022153.db2.gz QSICMLKSILBVOV-LLVKDONJSA-N 2 0 249.362 1.079 20 0 BDADRP CC(C)(O)C[N@@H+]1C[C@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001575379802 993030718 /nfs/dbraw/zinc/03/07/18/993030718.db2.gz LRVJKGXWJAZUMB-DGCLKSJQSA-N 2 0 226.364 1.208 20 0 BDADRP CC(C)(O)C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001575380057 993032236 /nfs/dbraw/zinc/03/22/36/993032236.db2.gz QKKVSEXVIAYHRZ-UHFFFAOYSA-N 2 0 226.364 1.223 20 0 BDADRP CC(C)[C@@H](C[NH3+])CN1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001575423341 993040386 /nfs/dbraw/zinc/04/03/86/993040386.db2.gz SCBJCOFLNXFGNI-MJBXVCDLSA-N 3 0 239.407 1.101 20 0 BDADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC001575460608 993047880 /nfs/dbraw/zinc/04/78/80/993047880.db2.gz NJWYBVKAXVIKLJ-PRSXHHODSA-N 2 0 238.375 1.373 20 0 BDADRP CC(C)CC[C@H](CO)[NH2+]CC1(C[NH3+])CC1 ZINC001575553911 993070426 /nfs/dbraw/zinc/07/04/26/993070426.db2.gz IXIJPSHVYYGSRE-LLVKDONJSA-N 2 0 214.353 1.112 20 0 BDADRP CC(C)[N@@H+]1CCCC[C@H]1CN[C@H](C[NH3+])C1CC1 ZINC001575700276 993098994 /nfs/dbraw/zinc/09/89/94/993098994.db2.gz OVUAWZVIDCPJJN-UONOGXRCSA-N 2 0 239.407 1.576 20 0 BDADRP CC(C)C[C@@](C)(C[NH3+])C(=O)N[C@@H](C)CCC[NH3+] ZINC001263108920 993118128 /nfs/dbraw/zinc/11/81/28/993118128.db2.gz KAVZMNXSMUMIRD-AAEUAGOBSA-N 2 0 243.395 1.241 20 0 BDADRP C[NH2+]CCCCC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC001263110390 993120828 /nfs/dbraw/zinc/12/08/28/993120828.db2.gz UYZVZCRLPRXSKK-LBPRGKRZSA-N 2 0 241.379 1.025 20 0 BDADRP C[C@@H](CC(C)(C)O)[NH2+]CCC1([NH3+])CCOCC1 ZINC001575930578 993129432 /nfs/dbraw/zinc/12/94/32/993129432.db2.gz DLYYBJSSDIURBC-NSHDSACASA-N 2 0 244.379 1.024 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)NCCCCCC[NH3+] ZINC001263135089 993130170 /nfs/dbraw/zinc/13/01/70/993130170.db2.gz MICIVEFRVQJSDW-LBPRGKRZSA-N 2 0 243.395 1.385 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@@H]1CCC[C@H]1O ZINC001575940974 993133955 /nfs/dbraw/zinc/13/39/55/993133955.db2.gz GBDKGURQSMNWQY-DDHJBXDOSA-N 2 0 212.337 1.020 20 0 BDADRP C[C@@H](CCCO)C[NH2+]CC1(C[NH3+])CCC1 ZINC001575952046 993136519 /nfs/dbraw/zinc/13/65/19/993136519.db2.gz BJWYLLIBEKQZCG-NSHDSACASA-N 2 0 214.353 1.114 20 0 BDADRP C[C@H](CC[NH+](C)C)NC[C@@H]([NH3+])CC(F)(F)F ZINC001575954563 993138078 /nfs/dbraw/zinc/13/80/78/993138078.db2.gz VVWIZTWMHGBQJO-BDAKNGLRSA-N 2 0 241.301 1.196 20 0 BDADRP C[C@H](CCO)CC[NH2+]C1CC(CC[NH3+])C1 ZINC001575967718 993143147 /nfs/dbraw/zinc/14/31/47/993143147.db2.gz OXXPMGYLSOBUEZ-UNXYVOJBSA-N 2 0 214.353 1.112 20 0 BDADRP CC(C)(C[NH3+])CC(=O)NC1(C[NH3+])CCCCC1 ZINC001263173083 993150437 /nfs/dbraw/zinc/15/04/37/993150437.db2.gz PNIYMIBKEOEEAN-UHFFFAOYSA-N 2 0 241.379 1.139 20 0 BDADRP C[C@H](Cc1ccno1)[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC001576066315 993170321 /nfs/dbraw/zinc/17/03/21/993170321.db2.gz MTMOVRPEXFMOJF-GMTAPVOTSA-N 2 0 223.320 1.323 20 0 BDADRP CN(CCC[NH+](C)C)C(=O)c1ccccc1C[NH3+] ZINC001263242063 993179907 /nfs/dbraw/zinc/17/99/07/993179907.db2.gz ARGWRZYOTMHBBV-UHFFFAOYSA-N 2 0 249.358 1.169 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](Cc2ncccc2F)CC1 ZINC001576120508 993187680 /nfs/dbraw/zinc/18/76/80/993187680.db2.gz UXGPWSQZQANMKK-JTQLQIEISA-N 2 0 237.322 1.780 20 0 BDADRP Cc1ncccc1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC000378675457 993198327 /nfs/dbraw/zinc/19/83/27/993198327.db2.gz OLSHQBJAEVPZEJ-ZDUSSCGKSA-N 2 0 219.332 1.703 20 0 BDADRP [NH3+]Cc1ccccc1NC(=O)C[NH2+]CC1CC1 ZINC001263267413 993198814 /nfs/dbraw/zinc/19/88/14/993198814.db2.gz ZJDLKVYENNROEP-UHFFFAOYSA-N 2 0 233.315 1.083 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CC[C@@H]([NH3+])C1)[C@H]1CCCOC1 ZINC001576243915 993229756 /nfs/dbraw/zinc/22/97/56/993229756.db2.gz GZPSWXSJZBELQE-MROQNXINSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@@H](O)[C@@H](C)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001576262573 993235568 /nfs/dbraw/zinc/23/55/68/993235568.db2.gz FHKLCEUDHZJYPL-VXGBXAGGSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@H](O)[C@H]1CCC[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001576269060 993245632 /nfs/dbraw/zinc/24/56/32/993245632.db2.gz LCHHLGFCIIPNAK-ZDEQEGDKSA-N 2 0 226.364 1.207 20 0 BDADRP CC1(C)C[C@@H](O)C[N@H+](Cc2cccc(C[NH3+])c2)C1 ZINC001576393846 993290186 /nfs/dbraw/zinc/29/01/86/993290186.db2.gz LYBUEAIAVPJSBZ-CQSZACIVSA-N 2 0 248.370 1.738 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC001576381679 993293470 /nfs/dbraw/zinc/29/34/70/993293470.db2.gz DEFRPERUUVCDRM-QMNVILFCSA-N 2 0 236.359 1.125 20 0 BDADRP CC1(C)OC[C@@H](CC[NH2+][C@@H]2CCCC[C@H]2[NH3+])O1 ZINC001576495544 993322312 /nfs/dbraw/zinc/32/23/12/993322312.db2.gz QTRRCKKASVHSEB-IJLUTSLNSA-N 2 0 242.363 1.388 20 0 BDADRP Cc1nn(C)cc1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000380242867 993323418 /nfs/dbraw/zinc/32/34/18/993323418.db2.gz WIFCJRGQEMUNIY-LBPRGKRZSA-N 2 0 236.363 1.289 20 0 BDADRP C[C@]1(C[N@@H+]2CCC[C@@H](C[NH3+])C2)CCCCO1 ZINC001576502957 993325666 /nfs/dbraw/zinc/32/56/66/993325666.db2.gz JMIVDHGUFHEDGQ-QWHCGFSZSA-N 2 0 226.364 1.616 20 0 BDADRP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCC2(CCC2)C1 ZINC000380458774 993330023 /nfs/dbraw/zinc/33/00/23/993330023.db2.gz UVJBXPBUBNDZQH-GFCCVEGCSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@]1(C[NH2+]C[C@@H]2OCc3ccccc32)CC[NH2+]C1 ZINC001576518818 993330308 /nfs/dbraw/zinc/33/03/08/993330308.db2.gz HLZLRXODPXWOEN-GJZGRUSLSA-N 2 0 246.354 1.847 20 0 BDADRP C[C@]1(CO)CCC[N@@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC001576525832 993331131 /nfs/dbraw/zinc/33/11/31/993331131.db2.gz ITDNAVDURJHDFI-CHWSQXEVSA-N 2 0 226.364 1.223 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1C[C@@H]3COC[C@@H]31)[NH2+]2 ZINC001576586799 993358830 /nfs/dbraw/zinc/35/88/30/993358830.db2.gz AUQQNNUCIGVFSL-DIVMYUDWSA-N 2 0 236.359 1.140 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCO[C@H](C)C2)C[C@H]1C[NH3+] ZINC001576596851 993360495 /nfs/dbraw/zinc/36/04/95/993360495.db2.gz AVIRILROUCREFQ-FDYHWXHSSA-N 2 0 226.364 1.328 20 0 BDADRP C[C@H]1C[C@H](CO)C[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001576596867 993361136 /nfs/dbraw/zinc/36/11/36/993361136.db2.gz BEFKNWCDHXYQAJ-ZDEQEGDKSA-N 2 0 226.364 1.064 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2C[C@H](O)CC[C@H]2C)CC[NH2+]1 ZINC001576597239 993361341 /nfs/dbraw/zinc/36/13/41/993361341.db2.gz DTTBVALYMGTQCL-FVCCEPFGSA-N 2 0 226.364 1.220 20 0 BDADRP C[C@H]1C[C@@H](C[N@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)CC[NH2+]1 ZINC001576597830 993362103 /nfs/dbraw/zinc/36/21/03/993362103.db2.gz JEPSASZRNGYPIY-PDWCTOEPSA-N 2 0 238.375 1.077 20 0 BDADRP C[C@@H]1CC[C@@H](O)C[N@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC001576597240 993362251 /nfs/dbraw/zinc/36/22/51/993362251.db2.gz DTTBVALYMGTQCL-QNWHQSFQSA-N 2 0 226.364 1.220 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCCC[C@H]2O)CC[NH2+]1 ZINC001576599402 993362677 /nfs/dbraw/zinc/36/26/77/993362677.db2.gz UOIVPDWPGVIXFB-FDYHWXHSSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCC2([NH3+])CCOCC2)CS1 ZINC001576624810 993372649 /nfs/dbraw/zinc/37/26/49/993372649.db2.gz UEZVELQHHAZPMN-GHMZBOCLSA-N 2 0 244.404 1.368 20 0 BDADRP C[C@H]1C[C@H]1C[NH2+]Cc1ccc(N2CC[NH2+]CC2)o1 ZINC001576635005 993379046 /nfs/dbraw/zinc/37/90/46/993379046.db2.gz OIACBJXEVQACOI-RYUDHWBXSA-N 2 0 249.358 1.435 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+]C2CC3(C[C@H]3[NH3+])C2)O1 ZINC001576649970 993383692 /nfs/dbraw/zinc/38/36/92/993383692.db2.gz JHAAKXHMIMDQGS-GYOGACSVSA-N 2 0 210.321 1.023 20 0 BDADRP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC[C@H](C)C1 ZINC000381243530 993383882 /nfs/dbraw/zinc/38/38/82/993383882.db2.gz MPQBUQRLVBTQPD-QWHCGFSZSA-N 2 0 228.380 1.421 20 0 BDADRP C[C@H]1CC[C@H](C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)O1 ZINC001576648960 993384097 /nfs/dbraw/zinc/38/40/97/993384097.db2.gz CNTRSWCCAVRNNT-QNWHQSFQSA-N 2 0 224.348 1.095 20 0 BDADRP COC[C@@H]([NH2+][C@@H]1CCC[N@H+](C)CC1)C1CC1 ZINC000381312214 993384332 /nfs/dbraw/zinc/38/43/32/993384332.db2.gz LVVLQZIAFGXVNQ-CHWSQXEVSA-N 2 0 226.364 1.485 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H]1CCO[C@@H]1C ZINC000381319470 993385301 /nfs/dbraw/zinc/38/53/01/993385301.db2.gz OFAPVHXJHGOURU-YNEHKIRRSA-N 2 0 228.380 1.874 20 0 BDADRP C[C@@H]1CC[C@H](NC[C@H]2C[NH+]3CCC2CC3)C[NH2+]1 ZINC001576669934 993388378 /nfs/dbraw/zinc/38/83/78/993388378.db2.gz CXTAFEPRFQSDCP-XBFCOCLRSA-N 2 0 237.391 1.058 20 0 BDADRP C[C@@H]1CCC[C@@]1(O)C[NH2+]CC1(C[NH3+])CCC1 ZINC001576681102 993393851 /nfs/dbraw/zinc/39/38/51/993393851.db2.gz ZXHYBVSMLYLRLT-DGCLKSJQSA-N 2 0 226.364 1.256 20 0 BDADRP C[C@@H]1CCC[C@H]1C[NH2+]Cc1c(C[NH3+])cnn1C ZINC001576681811 993394246 /nfs/dbraw/zinc/39/42/46/993394246.db2.gz OCEJEORXRKYEFM-MNOVXSKESA-N 2 0 236.363 1.405 20 0 BDADRP Cc1cc(C[NH2+]CC2=CC[N@H+](C)CC2)[nH]n1 ZINC000381435151 993394502 /nfs/dbraw/zinc/39/45/02/993394502.db2.gz CMQYKTHFZZZYMY-UHFFFAOYSA-N 2 0 220.320 1.070 20 0 BDADRP C[C@H]1CC[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C[C@H]1CO ZINC001576732469 993407230 /nfs/dbraw/zinc/40/72/30/993407230.db2.gz VBDSLAOWKLIAFQ-ZDEQEGDKSA-N 2 0 226.364 1.064 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2cc[nH]c(=O)c2)C[C@@H]1C[NH3+] ZINC001576734692 993413217 /nfs/dbraw/zinc/41/32/17/993413217.db2.gz IMWREGDFBSVYRY-PWSUYJOCSA-N 2 0 235.331 1.204 20 0 BDADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC[C@H]1CCC[N@@H+]1C ZINC001576750089 993414349 /nfs/dbraw/zinc/41/43/49/993414349.db2.gz VGOAHIBOAQYHEQ-FDYHWXHSSA-N 2 0 225.380 1.057 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@@H]1CO ZINC001576751693 993414845 /nfs/dbraw/zinc/41/48/45/993414845.db2.gz DHMZUIRUAXCWJA-UMSGYPCISA-N 2 0 226.364 1.125 20 0 BDADRP C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576806116 993426997 /nfs/dbraw/zinc/42/69/97/993426997.db2.gz BOOMMDSWPMSUFG-QNWHQSFQSA-N 2 0 225.380 1.138 20 0 BDADRP C[C@H]1OCC[C@@H]1C[N@H+](C)CC1CC[NH2+]CC1 ZINC001576903407 993451079 /nfs/dbraw/zinc/45/10/79/993451079.db2.gz JJHNBINOGXHGGE-DGCLKSJQSA-N 2 0 226.364 1.343 20 0 BDADRP C[C@H]1OCC[C@@H]1C[N@@H+]1C2CCC1(C[NH3+])CC2 ZINC001576904244 993451653 /nfs/dbraw/zinc/45/16/53/993451653.db2.gz SSUTZNQPOVTHAN-OKZRHMCRSA-N 2 0 224.348 1.367 20 0 BDADRP CC[C@](C)(O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC001576959805 993467803 /nfs/dbraw/zinc/46/78/03/993467803.db2.gz HZAGKLRULGIKBM-MCIONIFRSA-N 2 0 240.391 1.469 20 0 BDADRP CC[C@H](C)[C@H](C[NH+]1CC2(C1)CC[NH2+]CC2)OC ZINC001576960519 993468875 /nfs/dbraw/zinc/46/88/75/993468875.db2.gz FCRHTAGPKHBLHA-STQMWFEESA-N 2 0 240.391 1.733 20 0 BDADRP CC[C@@H](C)C[C@H](CO)[NH2+]CC1(C[NH3+])CC1 ZINC001576972542 993477581 /nfs/dbraw/zinc/47/75/81/993477581.db2.gz WAVPFNSPJUDPLW-GHMZBOCLSA-N 2 0 214.353 1.112 20 0 BDADRP CC[C@H](C)C[C@H](CO)[NH2+]C[C@@H]([NH3+])CC(F)F ZINC001576971907 993478591 /nfs/dbraw/zinc/47/85/91/993478591.db2.gz RVULCRRMSLTDKS-LPEHRKFASA-N 2 0 238.322 1.356 20 0 BDADRP CCC(CC)(C[NH3+])C[NH2+][C@H]1CCOC1 ZINC001577052418 993489747 /nfs/dbraw/zinc/48/97/47/993489747.db2.gz TWBRRRGLCIBXJO-JTQLQIEISA-N 2 0 200.326 1.130 20 0 BDADRP CCC(CC)(C[NH2+]C[C@H]1C[C@@H]([NH3+])C1)C(=O)OC ZINC001577060816 993493597 /nfs/dbraw/zinc/49/35/97/993493597.db2.gz YLYYIVHOPYWIDA-PHIMTYICSA-N 2 0 242.363 1.293 20 0 BDADRP CC[C@@H](CNC[C@@H]([NH3+])CC(F)F)[NH+]1CCCC1 ZINC001577088950 993499519 /nfs/dbraw/zinc/49/95/19/993499519.db2.gz HVODGLSQZPOREW-QWRGUYRKSA-N 2 0 249.349 1.433 20 0 BDADRP CC[NH+](CC)C[C@H](O)C[N@H+](CC1CC1)C(C)C ZINC000383810984 993523377 /nfs/dbraw/zinc/52/33/77/993523377.db2.gz VKAGTFJJICCJIL-AWEZNQCLSA-N 2 0 242.407 1.810 20 0 BDADRP COC(=O)[C@H]1CCC[C@H]([NH2+]CCC[NH+](C)C)C1 ZINC000383956354 993530926 /nfs/dbraw/zinc/53/09/26/993530926.db2.gz HDRUTNCWJHWQTQ-RYUDHWBXSA-N 2 0 242.363 1.260 20 0 BDADRP CC[C@H]([NH2+]C[C@]1(O)CC[NH2+]C1)[C@@H]1CC1(C)C ZINC001577176213 993531290 /nfs/dbraw/zinc/53/12/90/993531290.db2.gz WEXHGAKVKRYPDQ-GVXVVHGQSA-N 2 0 226.364 1.125 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]([NH3+])CCOC)[C@@H]1CCCOC1 ZINC001577175907 993531853 /nfs/dbraw/zinc/53/18/53/993531853.db2.gz MANOVCKECLFMST-AGIUHOORSA-N 2 0 244.379 1.145 20 0 BDADRP CCC(O)(CC)CC[NH2+]CC1(C[NH3+])CCC1 ZINC001577179753 993538291 /nfs/dbraw/zinc/53/82/91/993538291.db2.gz YYIPRKDPNXPVDS-UHFFFAOYSA-N 2 0 228.380 1.646 20 0 BDADRP CC[C@H]1[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCO[C@H](CC)C1 ZINC001577241345 993554902 /nfs/dbraw/zinc/55/49/02/993554902.db2.gz RPVSJLPPUJFTSJ-DGAVXFQQSA-N 2 0 240.391 1.922 20 0 BDADRP CC[C@H]1C[C@@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)CO1 ZINC001577240361 993556320 /nfs/dbraw/zinc/55/63/20/993556320.db2.gz FUUXYMURMQKHBL-QCNOEVLYSA-N 2 0 212.337 1.271 20 0 BDADRP CC[C@@H]1CC[N@H+](CCN2CC[NH2+]CC2)[C@H]1C ZINC001577263957 993569121 /nfs/dbraw/zinc/56/91/21/993569121.db2.gz WBLVDIFUNPIVRQ-QWHCGFSZSA-N 2 0 225.380 1.012 20 0 BDADRP CC[C@@H]1CC[N@H+](C[C@](C)(O)C[NH2+]C)[C@H]1C ZINC001577263656 993569747 /nfs/dbraw/zinc/56/97/47/993569747.db2.gz UHOPAEKCMRLELB-QJPTWQEYSA-N 2 0 214.353 1.077 20 0 BDADRP CC[C@@H]1C[N@H+](Cc2cc[nH]c(=O)c2)CC[C@@H]1[NH3+] ZINC001577279778 993576846 /nfs/dbraw/zinc/57/68/46/993576846.db2.gz PYLQONCPZVKXFC-NEPJUHHUSA-N 2 0 235.331 1.346 20 0 BDADRP CCC[C@@H](CCO)[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001577358181 993588028 /nfs/dbraw/zinc/58/80/28/993588028.db2.gz SPAIPRCFGHKHFF-VOBJUBJWSA-N 2 0 212.337 1.007 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N1CC[C@H]([N@H+](C)CC)C1 ZINC001577328611 993595306 /nfs/dbraw/zinc/59/53/06/993595306.db2.gz UGEBTIWZEXQEMH-AAEUAGOBSA-N 2 0 241.379 1.057 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N(C)CCCC[NH+](C)C ZINC001577328770 993598977 /nfs/dbraw/zinc/59/89/77/993598977.db2.gz ZRHYRYHIUABPDR-ZDUSSCGKSA-N 2 0 243.395 1.304 20 0 BDADRP CCCN(CCC[NH+](C)C)C(=O)CCC[NH2+]C ZINC001577519328 993677795 /nfs/dbraw/zinc/67/77/95/993677795.db2.gz LPYXSIIAYQVHEN-UHFFFAOYSA-N 2 0 243.395 1.176 20 0 BDADRP CCC[NH2+][C@@H](C)C(=O)N[C@@H](C[NH+](C)C)C(C)C ZINC001577551332 993683449 /nfs/dbraw/zinc/68/34/49/993683449.db2.gz PJZMBNJIAYULLF-RYUDHWBXSA-N 2 0 243.395 1.077 20 0 BDADRP CCN(C)[C@@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC001577654773 993710347 /nfs/dbraw/zinc/71/03/47/993710347.db2.gz HDTJDOUTHXBACV-CHWSQXEVSA-N 2 0 225.380 1.012 20 0 BDADRP CC[N@@H+]1CC[C@@H](N[C@H]2CCC[NH+](C)CC2)C1 ZINC000389556275 993748642 /nfs/dbraw/zinc/74/86/42/993748642.db2.gz RQDSKVAODQWHBR-QWHCGFSZSA-N 2 0 225.380 1.155 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CCSCC[NH3+])C1 ZINC000389789683 993765514 /nfs/dbraw/zinc/76/55/14/993765514.db2.gz KVHVEGHQEXHAJF-ZJUUUORDSA-N 2 0 202.367 1.457 20 0 BDADRP CCSC[C@@H](C)N(C)C[C@@H]1CCC[NH2+]1 ZINC000389964099 993771817 /nfs/dbraw/zinc/77/18/17/993771817.db2.gz WUGSNNCLBXSFDY-MNOVXSKESA-N 2 0 216.394 1.812 20 0 BDADRP CC[C@H]1CCC[N@@H+]1C[C@H](O)C[NH+](CC)CC ZINC000390599915 993800801 /nfs/dbraw/zinc/80/08/01/993800801.db2.gz VQKCXHLYTQBIQH-QWHCGFSZSA-N 2 0 228.380 1.564 20 0 BDADRP C[C@@H]1C[C@H](N2CCC([NH+]3CCC3)CC2)CC[NH2+]1 ZINC000700401583 993834292 /nfs/dbraw/zinc/83/42/92/993834292.db2.gz VTLYEPMLFMQSLP-TZMCWYRMSA-N 2 0 237.391 1.297 20 0 BDADRP CC[NH+](CC)CCN[C@@H]1CC[N@H+](CC)C1 ZINC000393374569 993940607 /nfs/dbraw/zinc/94/06/07/993940607.db2.gz KNAMVHNDOVGEIV-GFCCVEGCSA-N 2 0 213.369 1.012 20 0 BDADRP Cc1cc(N[C@@H](C)C[NH+](C)C)cc(C)[nH+]1 ZINC000393784636 994007417 /nfs/dbraw/zinc/00/74/17/994007417.db2.gz ZYDUTIJBGOTEPZ-NSHDSACASA-N 2 0 207.321 1.482 20 0 BDADRP CC[C@H](C(=O)NCC[C@H](C)[NH2+]C(C)C)[NH+](C)C ZINC001266156248 994049415 /nfs/dbraw/zinc/04/94/15/994049415.db2.gz XSAASABKMQFYBN-NWDGAFQWSA-N 2 0 243.395 1.219 20 0 BDADRP CC1CC([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC001332395045 994071611 /nfs/dbraw/zinc/07/16/11/994071611.db2.gz DRWKRJCXFAERDM-BPCQOVAHSA-N 2 0 238.375 1.533 20 0 BDADRP C[C@@H]([NH3+])C[N@@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC001336276087 995000932 /nfs/dbraw/zinc/00/09/32/995000932.db2.gz ACJVCDNTJRVQCD-LBELIVKGSA-N 2 0 206.333 1.478 20 0 BDADRP C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@@H]1C)c1cn[nH]c1 ZINC000340524377 398137049 /nfs/dbraw/zinc/13/70/49/398137049.db2.gz IYHAAAYDMPJFTH-KWBADKCTSA-N 2 0 234.347 1.543 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@H](C)Cc1ccn(C(C)C)n1 ZINC000414995092 398138452 /nfs/dbraw/zinc/13/84/52/398138452.db2.gz VTOCOJSTHUKXHU-VXGBXAGGSA-N 2 0 238.379 1.722 20 0 BDADRP CC[C@](C)(O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161566017 538917182 /nfs/dbraw/zinc/91/71/82/538917182.db2.gz SDAZTQWDWYZSBY-AWEZNQCLSA-N 2 0 249.358 1.365 20 0 BDADRP CC[C@@H]([NH3+])C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000563201399 398146909 /nfs/dbraw/zinc/14/69/09/398146909.db2.gz UDIVDUDBZVDEGY-GRYCIOLGSA-N 2 0 241.379 1.103 20 0 BDADRP C[NH+](C)CCCC[NH2+]Cc1cnn2ccccc12 ZINC000071373412 398147751 /nfs/dbraw/zinc/14/77/51/398147751.db2.gz IVOWNJALMVTTER-UHFFFAOYSA-N 2 0 246.358 1.766 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCC[C@@H]1CCO ZINC000161765614 349503387 /nfs/dbraw/zinc/50/33/87/349503387.db2.gz CPJFBVIWRCCDNV-UONOGXRCSA-N 2 0 240.391 1.708 20 0 BDADRP C[C@H]([NH2+]CCOC1CCCCC1)C1C[NH2+]C1 ZINC000422943045 398159505 /nfs/dbraw/zinc/15/95/05/398159505.db2.gz JSNLXSUVJBPDGM-NSHDSACASA-N 2 0 226.364 1.533 20 0 BDADRP CC(C)[C@H](O)C1(C[NH2+][C@H](C)CCCC[NH3+])CC1 ZINC000423020100 398161077 /nfs/dbraw/zinc/16/10/77/398161077.db2.gz YSYHMYGRVROETC-OLZOCXBDSA-N 2 0 242.407 1.891 20 0 BDADRP CC(C)CC[C@@](C)(O)C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422977043 398161099 /nfs/dbraw/zinc/16/10/99/398161099.db2.gz JHJBSSPRLJYKCN-DGCLKSJQSA-N 2 0 228.380 1.371 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCc1ccccc1O ZINC000422976876 398161392 /nfs/dbraw/zinc/16/13/92/398161392.db2.gz VTBVDZKFBHYOLJ-MNOVXSKESA-N 2 0 222.332 1.650 20 0 BDADRP CCc1nnc([C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])[nH]1 ZINC000423021513 398161898 /nfs/dbraw/zinc/16/18/98/398161898.db2.gz FNDSFGJYUILOJZ-VHSXEESVSA-N 2 0 239.367 1.535 20 0 BDADRP Fc1ccc(CC[NH2+]C2CC[NH2+]CC2)cc1F ZINC000258765857 349514106 /nfs/dbraw/zinc/51/41/06/349514106.db2.gz AUHUCIZJRPVXSP-UHFFFAOYSA-N 2 0 240.297 1.849 20 0 BDADRP CC[C@H]([NH2+]CCCN1CC[NH2+]CC1)C1CC1 ZINC000423174564 398164257 /nfs/dbraw/zinc/16/42/57/398164257.db2.gz BCAPEXFISOHJNN-ZDUSSCGKSA-N 2 0 225.380 1.060 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CCCO2)C1 ZINC000379761280 398165048 /nfs/dbraw/zinc/16/50/48/398165048.db2.gz DSOJHEDKXKBNDA-MJBXVCDLSA-N 2 0 240.391 1.874 20 0 BDADRP Nc1cccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000342083902 398187727 /nfs/dbraw/zinc/18/77/27/398187727.db2.gz LCIKNKAGNJSAML-CFVMTHIKSA-N 2 0 245.370 1.828 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCC(C)(C)CO)CC[N@@H+]1C ZINC000385933742 398192476 /nfs/dbraw/zinc/19/24/76/398192476.db2.gz VEKVLMDVKBALBL-RYUDHWBXSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@H]([NH2+]C1CCC(CO)CC1)[C@H]1CCCC[NH2+]1 ZINC000386007374 398194346 /nfs/dbraw/zinc/19/43/46/398194346.db2.gz LXYUMJQNINQUKO-GFJIZPEISA-N 2 0 240.391 1.658 20 0 BDADRP CCC[C@H](C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)OC ZINC000385994609 398194600 /nfs/dbraw/zinc/19/46/00/398194600.db2.gz FLRNHPDQNYKINU-GXTWGEPZSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1cc(N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc[nH+]1 ZINC000274814442 178118585 /nfs/dbraw/zinc/11/85/85/178118585.db2.gz YSVSNVOVMJPPAQ-GXTWGEPZSA-N 2 0 231.343 1.920 20 0 BDADRP Cc1cc(N2CC[C@]3(CC[N@@H+](C)C3)C2)cc[nH+]1 ZINC000292251907 178119014 /nfs/dbraw/zinc/11/90/14/178119014.db2.gz KGPYABOTOQEJID-AWEZNQCLSA-N 2 0 231.343 1.922 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H](CCO)C(C)(C)C ZINC000336706198 398204356 /nfs/dbraw/zinc/20/43/56/398204356.db2.gz RLWMDOJFHKQNKO-MNOVXSKESA-N 2 0 216.369 1.501 20 0 BDADRP C[C@H](CCCCO)[NH2+]CC1([NH3+])CCCCC1 ZINC000643496641 398205721 /nfs/dbraw/zinc/20/57/21/398205721.db2.gz VBHQQVJMFZRPPB-GFCCVEGCSA-N 2 0 228.380 1.789 20 0 BDADRP Cc1cc(NC[C@H](C)C[NH+](C)C)cc[nH+]1 ZINC000291897089 178168811 /nfs/dbraw/zinc/16/88/11/178168811.db2.gz PMVIAVXNINQKTR-JTQLQIEISA-N 2 0 207.321 2.000 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@H](C)C[NH3+])cc1 ZINC000576389169 365583056 /nfs/dbraw/zinc/58/30/56/365583056.db2.gz NJUZIJOOTPACQT-RKDXNWHRSA-N 2 0 221.304 1.240 20 0 BDADRP CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000163788480 538930645 /nfs/dbraw/zinc/93/06/45/538930645.db2.gz YVFCGOBXQZIEIB-REWJHTLYSA-N 2 0 242.407 1.856 20 0 BDADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)C1CC1 ZINC000020200388 538931024 /nfs/dbraw/zinc/93/10/24/538931024.db2.gz IZEUDXCKBVIWJO-LBPRGKRZSA-N 2 0 239.407 1.401 20 0 BDADRP Cn1cncc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000090168738 398228362 /nfs/dbraw/zinc/22/83/62/398228362.db2.gz ZVOASHWHLDBIAF-CQSZACIVSA-N 2 0 248.374 1.384 20 0 BDADRP CN(C)c1ccncc1C[NH2+]CCCCF ZINC000336775690 398236434 /nfs/dbraw/zinc/23/64/34/398236434.db2.gz ZRGLMSGMXKUCQZ-UHFFFAOYSA-N 2 0 225.311 1.987 20 0 BDADRP CN(CC[NH+]1CCC([NH3+])CC1)c1ccccc1 ZINC000092721221 398240113 /nfs/dbraw/zinc/24/01/13/398240113.db2.gz JZXYFXJTNYQHNA-UHFFFAOYSA-N 2 0 233.359 1.546 20 0 BDADRP C[C@@H](NCc1ccc(C[NH3+])cc1)[C@H]1CCC[NH2+]1 ZINC000576584626 365632515 /nfs/dbraw/zinc/63/25/15/365632515.db2.gz LIZGBFYLTVVBTR-BXUZGUMPSA-N 3 0 233.359 1.375 20 0 BDADRP C([NH2+][C@H]1CC[C@H]1C1CC1)C1CC[NH2+]CC1 ZINC000576626521 365632544 /nfs/dbraw/zinc/63/25/44/365632544.db2.gz JQXYSURRSOMSLM-STQMWFEESA-N 2 0 208.349 1.764 20 0 BDADRP CO[C@@H](C[NH2+][C@H](C)CCC[NH3+])C1CC1 ZINC000356358077 398247571 /nfs/dbraw/zinc/24/75/71/398247571.db2.gz WRAHHRXWGHEPGP-KOLCDFICSA-N 2 0 200.326 1.128 20 0 BDADRP C[C@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)C[NH+](C)C ZINC000378758788 346826079 /nfs/dbraw/zinc/82/60/79/346826079.db2.gz ZQEFCAFWKBNHEK-XQHKEYJVSA-N 2 0 210.365 1.962 20 0 BDADRP CC[C@H](C)C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000180233817 538957680 /nfs/dbraw/zinc/95/76/80/538957680.db2.gz XZLVDYMLNCJZCK-AWEZNQCLSA-N 2 0 241.423 1.650 20 0 BDADRP C[C@@H]([NH2+]CCN1CCCC1)C1CC[NH+](C)CC1 ZINC000037220757 538961936 /nfs/dbraw/zinc/96/19/36/538961936.db2.gz FXFCGFMNHBPJJR-CYBMUJFWSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@@H]([NH2+]CCC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000037210225 538962051 /nfs/dbraw/zinc/96/20/51/538962051.db2.gz HHDVTDLHVCISMQ-GFCCVEGCSA-N 3 0 227.396 1.258 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(CO)CCC2)[C@H](C)C1 ZINC000184529721 538968995 /nfs/dbraw/zinc/96/89/95/538968995.db2.gz QXZJSBAKRHSORI-OLZOCXBDSA-N 2 0 240.391 1.469 20 0 BDADRP CCC(CC)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000309216176 168387169 /nfs/dbraw/zinc/38/71/69/168387169.db2.gz ULKDCYCIIHVXJB-UHFFFAOYSA-N 2 0 214.353 1.221 20 0 BDADRP [NH3+][C@@H]1CC2(CC[NH2+]CC2)c2ccccc21 ZINC000147091325 342773732 /nfs/dbraw/zinc/77/37/32/342773732.db2.gz QEFRXSQYMVSCRK-GFCCVEGCSA-N 2 0 202.301 1.711 20 0 BDADRP O[C@H]1CC[N@H+](CCNc2[nH+]ccc3[nH]ccc32)C1 ZINC000624775322 342829112 /nfs/dbraw/zinc/82/91/12/342829112.db2.gz DVDGHOHNODCNHM-JTQLQIEISA-N 2 0 246.314 1.041 20 0 BDADRP CCOC[C@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000044690781 538990363 /nfs/dbraw/zinc/99/03/63/538990363.db2.gz CKRINUSVTUHCHK-RYUDHWBXSA-N 2 0 228.380 1.731 20 0 BDADRP CC[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC000191976676 538993852 /nfs/dbraw/zinc/99/38/52/538993852.db2.gz HLEPPMAHMDCLTG-UHFFFAOYSA-N 2 0 205.305 1.532 20 0 BDADRP C[NH+](C)CC1(C[NH2+]C2CSC2)CCCC1 ZINC000380013719 538983782 /nfs/dbraw/zinc/98/37/82/538983782.db2.gz SMPFAEARWIKJEI-UHFFFAOYSA-N 2 0 228.405 1.813 20 0 BDADRP C[NH+](C)Cc1cccc(C[NH2+]C2CSC2)c1 ZINC000381484252 539002279 /nfs/dbraw/zinc/00/22/79/539002279.db2.gz UOOHNFUBRGNYQW-UHFFFAOYSA-N 2 0 236.384 1.953 20 0 BDADRP CC[C@H](COC)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401013531 529398629 /nfs/dbraw/zinc/39/86/29/529398629.db2.gz NMTOVDFGRBUXFP-FDYHWXHSSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)C(C)(C)O)C1CC[NH+](C)CC1 ZINC000381290747 538997495 /nfs/dbraw/zinc/99/74/95/538997495.db2.gz DAMIJJOMYZAVTN-MNOVXSKESA-N 2 0 228.380 1.466 20 0 BDADRP CC[NH+]1CCC(N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000335637598 136242966 /nfs/dbraw/zinc/24/29/66/136242966.db2.gz PYUQSIGFJLBHCS-DGCLKSJQSA-N 2 0 225.380 1.058 20 0 BDADRP [NH3+]Cc1cc(-c2nc(C3([NH3+])CCC3)no2)co1 ZINC000583993880 342855149 /nfs/dbraw/zinc/85/51/49/342855149.db2.gz CIKZGYUCEKWDHO-UHFFFAOYSA-N 2 0 234.259 1.126 20 0 BDADRP CC[N@@H+]1CC[C@H](N[C@@H]2C[C@@H](C)[NH+](C)C[C@@H]2C)C1 ZINC000389206763 398305987 /nfs/dbraw/zinc/30/59/87/398305987.db2.gz ZWWHCZLTSGVBCP-RFQIPJPRSA-N 2 0 239.407 1.399 20 0 BDADRP C[C@H](CCCCO)[NH2+]C[C@@H]1CCCN1C ZINC000308839725 342873911 /nfs/dbraw/zinc/87/39/11/342873911.db2.gz JQORENVDSGTCLG-NEPJUHHUSA-N 2 0 214.353 1.221 20 0 BDADRP Cc1ccncc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000167238976 136245310 /nfs/dbraw/zinc/24/53/10/136245310.db2.gz FKZAYTDJUSSYEQ-ZDUSSCGKSA-N 2 0 219.332 1.622 20 0 BDADRP CC(C)(CCO)C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000331879336 398312867 /nfs/dbraw/zinc/31/28/67/398312867.db2.gz CBEYHOYZOIQPGJ-NEPJUHHUSA-N 2 0 228.380 1.645 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)C(C)(C)C ZINC000234747512 342939971 /nfs/dbraw/zinc/93/99/71/342939971.db2.gz DTGAIEGINAYLSM-GHMZBOCLSA-N 2 0 216.369 1.765 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCSC1 ZINC000019942807 342963887 /nfs/dbraw/zinc/96/38/87/342963887.db2.gz ZORJXUJOUCBXRN-LLVKDONJSA-N 2 0 216.394 1.813 20 0 BDADRP Nc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000335906770 136260639 /nfs/dbraw/zinc/26/06/39/136260639.db2.gz XSIXBNJVPBKGDY-GXTWGEPZSA-N 2 0 231.343 1.453 20 0 BDADRP CC[C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)OC ZINC000308588450 259340191 /nfs/dbraw/zinc/34/01/91/259340191.db2.gz UDPNAGMVFQRCMR-GARJFASQSA-N 2 0 200.326 1.271 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCOC(F)(F)F)C1 ZINC000398248611 343100095 /nfs/dbraw/zinc/10/00/95/343100095.db2.gz KCSUACYPUOLXSB-SFYZADRCSA-N 2 0 226.242 1.382 20 0 BDADRP CC[NH+]1CCC(C[NH2+]Cc2cocn2)CC1 ZINC000309946072 343104076 /nfs/dbraw/zinc/10/40/76/343104076.db2.gz DJVIRVYMPNGHOT-UHFFFAOYSA-N 2 0 223.320 1.496 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@H](O)C2)[C@H](C)C1 ZINC000189287091 136270728 /nfs/dbraw/zinc/27/07/28/136270728.db2.gz HAAQTFBOXZUNJQ-MQYQWHSLSA-N 2 0 240.391 1.467 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CC[C@H](O)C2)[C@H](C)C1 ZINC000189287113 136270827 /nfs/dbraw/zinc/27/08/27/136270827.db2.gz HAAQTFBOXZUNJQ-YIYPIFLZSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@@H](C[NH3+])N(C)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000237418552 343138654 /nfs/dbraw/zinc/13/86/54/343138654.db2.gz GPBPYFHCZNNXFJ-AAEUAGOBSA-N 2 0 249.358 1.272 20 0 BDADRP C[C@H]([NH3+])CCC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000576927360 365722440 /nfs/dbraw/zinc/72/24/40/365722440.db2.gz UQSWFROTZJYQFT-JTQLQIEISA-N 2 0 247.342 1.398 20 0 BDADRP COC1CCC([NH2+]C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000130042714 343180200 /nfs/dbraw/zinc/18/02/00/343180200.db2.gz ZDQXCJIDXJWQDT-HSBZDZAISA-N 2 0 240.391 1.875 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H](C)[C@H]2CCOC2)CC1 ZINC000130584542 343181758 /nfs/dbraw/zinc/18/17/58/343181758.db2.gz RACHDCIVBUFRGH-OCCSQVGLSA-N 2 0 240.391 1.733 20 0 BDADRP CC(C)[NH+](CCN[C@H]1CCC[C@@H]([NH3+])C1)C(C)C ZINC000093209322 343151250 /nfs/dbraw/zinc/15/12/50/343151250.db2.gz BCICUEDTSHIFQF-KGLIPLIRSA-N 2 0 241.423 1.965 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000093215628 343151318 /nfs/dbraw/zinc/15/13/18/343151318.db2.gz LDTUMMJGFJDURF-KGLIPLIRSA-N 3 0 239.407 1.578 20 0 BDADRP Cc1nn(C)c(C)c1C[NH2+]CC1CC[NH2+]CC1 ZINC000094010569 343152466 /nfs/dbraw/zinc/15/24/66/343152466.db2.gz YMOVJYIPQWWBAK-UHFFFAOYSA-N 2 0 236.363 1.126 20 0 BDADRP C[C@H](C[NH3+])N(C)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000237602228 343157655 /nfs/dbraw/zinc/15/76/55/343157655.db2.gz GPBPYFHCZNNXFJ-DGCLKSJQSA-N 2 0 249.358 1.272 20 0 BDADRP CC(C)(O)C(C)(C)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000393673903 259354825 /nfs/dbraw/zinc/35/48/25/259354825.db2.gz SCJOQYHKMRJNOF-NEPJUHHUSA-N 2 0 242.407 1.891 20 0 BDADRP COCCOCCCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000158951594 343201420 /nfs/dbraw/zinc/20/14/20/343201420.db2.gz SWRUWSZIODJTJA-QWHCGFSZSA-N 2 0 244.379 1.289 20 0 BDADRP COCCOCCCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000158951743 343201533 /nfs/dbraw/zinc/20/15/33/343201533.db2.gz SWRUWSZIODJTJA-STQMWFEESA-N 2 0 244.379 1.289 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@H+](C[C@H](C)COC)C1 ZINC000163535720 343206943 /nfs/dbraw/zinc/20/69/43/343206943.db2.gz VSUAQYXDVSQKOS-NWDGAFQWSA-N 2 0 214.353 1.200 20 0 BDADRP CC1(C)C[C@@H]([NH2+][C@H]2CCc3nc[nH]c3C2)CCO1 ZINC000634684618 343217726 /nfs/dbraw/zinc/21/77/26/343217726.db2.gz VWFGRLHWQHJTBY-QWRGUYRKSA-N 2 0 249.358 1.814 20 0 BDADRP CC1(C)C[C@H]([NH2+][C@H]2CCc3nc[nH]c3C2)CCO1 ZINC000634684619 343217826 /nfs/dbraw/zinc/21/78/26/343217826.db2.gz VWFGRLHWQHJTBY-WDEREUQCSA-N 2 0 249.358 1.814 20 0 BDADRP C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000134103276 343186903 /nfs/dbraw/zinc/18/69/03/343186903.db2.gz YATOEEPIQUNSSZ-WDEREUQCSA-N 2 0 249.358 1.670 20 0 BDADRP COC[C@@H](C)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000132165744 343187228 /nfs/dbraw/zinc/18/72/28/343187228.db2.gz WAJVRPODLXERIL-JSGCOSHPSA-N 2 0 240.391 1.733 20 0 BDADRP Cc1ccncc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000135500452 343193462 /nfs/dbraw/zinc/19/34/62/343193462.db2.gz DKRVPZABHHSGAK-UHFFFAOYSA-N 2 0 233.359 1.951 20 0 BDADRP COC[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000308572453 488209078 /nfs/dbraw/zinc/20/90/78/488209078.db2.gz CKBPUJUSXPSNHZ-WDEREUQCSA-N 2 0 200.326 1.095 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@](C)(C[NH3+])C2CC2)O1 ZINC000634687777 343241948 /nfs/dbraw/zinc/24/19/48/343241948.db2.gz YZFCCBWUDDOQJU-YUSALJHKSA-N 2 0 212.337 1.271 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H]1CCCCC1(C)C ZINC000310120615 343288466 /nfs/dbraw/zinc/28/84/66/343288466.db2.gz ACCHZIFXURZMAB-STQMWFEESA-N 2 0 242.407 1.857 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCCCC1(C)C ZINC000310120613 343288546 /nfs/dbraw/zinc/28/85/46/343288546.db2.gz ACCHZIFXURZMAB-QWHCGFSZSA-N 2 0 242.407 1.857 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCOCC(F)(F)F ZINC000084222089 136290790 /nfs/dbraw/zinc/29/07/90/136290790.db2.gz LUSSOFCNCGCDJO-BDAKNGLRSA-N 2 0 240.269 1.282 20 0 BDADRP COC[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000308572451 488209109 /nfs/dbraw/zinc/20/91/09/488209109.db2.gz CKBPUJUSXPSNHZ-MNOVXSKESA-N 2 0 200.326 1.095 20 0 BDADRP CC[NH+](CC)CCC[NH2+]C1CCOCC1 ZINC000036304031 343314800 /nfs/dbraw/zinc/31/48/00/343314800.db2.gz KDSQYANZADVJFO-UHFFFAOYSA-N 2 0 214.353 1.487 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1NCC1([NH3+])CCCCC1 ZINC000335625215 136299544 /nfs/dbraw/zinc/29/95/44/136299544.db2.gz OPTPETFISHKSGO-CHWSQXEVSA-N 2 0 239.407 1.898 20 0 BDADRP C(C[NH2+][C@@H]1CCOC1)C[NH+]1CCCCC1 ZINC000070964583 343343553 /nfs/dbraw/zinc/34/35/53/343343553.db2.gz PYXOCFSRESZRBC-GFCCVEGCSA-N 2 0 212.337 1.241 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc3c[nH]nc3c2)CC[NH2+]1 ZINC000335641644 136308537 /nfs/dbraw/zinc/30/85/37/136308537.db2.gz VFVZUTVLYLTKAD-GWCFXTLKSA-N 2 0 244.342 1.793 20 0 BDADRP C[NH+](C)CCCN(CCC[NH+](C)C)CC1CC1 ZINC000348934026 136309318 /nfs/dbraw/zinc/30/93/18/136309318.db2.gz LFQOHIDVEAZKGD-UHFFFAOYSA-N 2 0 241.423 1.602 20 0 BDADRP CC(C)[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000151772468 343414801 /nfs/dbraw/zinc/41/48/01/343414801.db2.gz FIQAYTFGDXTDAO-VXGBXAGGSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)[C@H]1CCOC1 ZINC000166320075 136344840 /nfs/dbraw/zinc/34/48/40/136344840.db2.gz RRQMOPBGBKSHET-RISCZKNCSA-N 2 0 246.354 1.804 20 0 BDADRP CC(C)OCC[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000082594541 343450440 /nfs/dbraw/zinc/45/04/40/343450440.db2.gz RZYGWWDZCNUSJS-GFCCVEGCSA-N 2 0 214.353 1.615 20 0 BDADRP COC[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247983242 136373419 /nfs/dbraw/zinc/37/34/19/136373419.db2.gz IPELLCJSXGBUQM-XQQFMLRXSA-N 2 0 226.364 1.437 20 0 BDADRP COC[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247983237 136373582 /nfs/dbraw/zinc/37/35/82/136373582.db2.gz IPELLCJSXGBUQM-AVGNSLFASA-N 2 0 226.364 1.437 20 0 BDADRP CCc1ccc(C[N@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000258966411 136374171 /nfs/dbraw/zinc/37/41/71/136374171.db2.gz LFNZBASRAAHTHW-CYBMUJFWSA-N 2 0 222.332 1.000 20 0 BDADRP CSC[C@H]1CCC[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261542348 136374507 /nfs/dbraw/zinc/37/45/07/136374507.db2.gz GSWVJVZDUFGBSN-VXGBXAGGSA-N 2 0 228.405 1.813 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@@H]1CCCOCC1 ZINC000083425627 343484931 /nfs/dbraw/zinc/48/49/31/343484931.db2.gz UIRDULSMYJAJGV-GFCCVEGCSA-N 2 0 214.353 1.487 20 0 BDADRP COCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000086494156 536894349 /nfs/dbraw/zinc/89/43/49/536894349.db2.gz VNEKBSMVTMNSOX-UTUOFQBUSA-N 2 0 212.337 1.143 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]CCCC[NH3+])C1(C)C ZINC000082922849 343470791 /nfs/dbraw/zinc/47/07/91/343470791.db2.gz MHBHWGBPVJAHAE-WDEREUQCSA-N 2 0 214.353 1.519 20 0 BDADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]CC2(F)CC2)CC1 ZINC000556952597 343627959 /nfs/dbraw/zinc/62/79/59/343627959.db2.gz AFGVRPYOKCSITR-XYPYZODXSA-N 2 0 214.328 1.843 20 0 BDADRP CCC[C@H](C)[N@H+](C)C[C@H](O)CN(C)CC ZINC000380037767 343672468 /nfs/dbraw/zinc/67/24/68/343672468.db2.gz SORUZXUWNOCDGF-NWDGAFQWSA-N 2 0 216.369 1.419 20 0 BDADRP CCC[C@@H](C)[N@H+](C)C[C@H](O)CN(C)CC ZINC000380037769 343672607 /nfs/dbraw/zinc/67/26/07/343672607.db2.gz SORUZXUWNOCDGF-VXGBXAGGSA-N 2 0 216.369 1.419 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+]C[C@@H]2C[C@@H]2C)C1 ZINC000309055980 346957893 /nfs/dbraw/zinc/95/78/93/346957893.db2.gz UKDGXTOYUHEIKS-XQQFMLRXSA-N 2 0 210.365 1.964 20 0 BDADRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]CC2=CCCOC2)C1 ZINC000127733170 343745833 /nfs/dbraw/zinc/74/58/33/343745833.db2.gz IPFJNZMBHLSTHB-KBPBESRZSA-N 2 0 238.375 1.796 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)O1 ZINC000149782916 537809443 /nfs/dbraw/zinc/80/94/43/537809443.db2.gz SJLGAHGNYGNTEG-KKOKHZNYSA-N 2 0 212.337 1.223 20 0 BDADRP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H]2C[C@@H]2C)CC1 ZINC000625454030 343861296 /nfs/dbraw/zinc/86/12/96/343861296.db2.gz ZWOXEXSLHLKFGE-STQMWFEESA-N 2 0 240.391 1.467 20 0 BDADRP C[N@H+](C[C@H]1CCCCO1)CC(C)(C)C[NH3+] ZINC000051251041 347005902 /nfs/dbraw/zinc/00/59/02/347005902.db2.gz AZBNJMXNZYUBMW-LLVKDONJSA-N 2 0 214.353 1.472 20 0 BDADRP CC(C)CSCCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000393787602 343928359 /nfs/dbraw/zinc/92/83/59/343928359.db2.gz WIKATAGIEKTILY-CHWSQXEVSA-N 2 0 242.432 1.917 20 0 BDADRP CCC[NH+](CCC)C[C@@](C)(O)C[NH2+]C ZINC000569346936 343972432 /nfs/dbraw/zinc/97/24/32/343972432.db2.gz HCVCUCQCIXSRIQ-NSHDSACASA-N 2 0 202.342 1.079 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2([NH3+])CCOCC2)[C@@H]1C ZINC000395141429 362274829 /nfs/dbraw/zinc/27/48/29/362274829.db2.gz FWISPIMQMYMTAU-GMTAPVOTSA-N 2 0 212.337 1.128 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2ccncc2)C1 ZINC000634732626 344108278 /nfs/dbraw/zinc/10/82/78/344108278.db2.gz KQOOFVJDUFGEHP-CYBMUJFWSA-N 2 0 233.359 1.949 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000634733574 344113975 /nfs/dbraw/zinc/11/39/75/344113975.db2.gz IVAVIEFTWXKPSE-BPCQOVAHSA-N 3 0 239.407 1.624 20 0 BDADRP COC[C@@H](C)C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634733850 344114628 /nfs/dbraw/zinc/11/46/28/344114628.db2.gz PQSTZRBYNRBAHD-TUAOUCFPSA-N 2 0 212.337 1.001 20 0 BDADRP CC[C@@H]([NH3+])C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000130335491 344132081 /nfs/dbraw/zinc/13/20/81/344132081.db2.gz ZRTDNMVXVYCKCF-GFCCVEGCSA-N 2 0 241.379 1.104 20 0 BDADRP CCN(C)C[C@H](O)C[N@H+]([C@H](C)C1CC1)C1CC1 ZINC000570737120 323068925 /nfs/dbraw/zinc/06/89/25/323068925.db2.gz RFJULMHJLOHSNZ-RISCZKNCSA-N 2 0 240.391 1.562 20 0 BDADRP CC1(C)CC[C@@H]([NH2+]C[C@@H]2CNCCO2)C1 ZINC000129526292 344213646 /nfs/dbraw/zinc/21/36/46/344213646.db2.gz RSFHWYSRUGRGPA-MNOVXSKESA-N 2 0 212.337 1.143 20 0 BDADRP Cc1cnccc1CN1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000384907149 344221759 /nfs/dbraw/zinc/22/17/59/344221759.db2.gz ATDHHHPTJKENCS-RISCZKNCSA-N 2 0 233.359 1.949 20 0 BDADRP COC[C@H](C)[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000131864914 344237119 /nfs/dbraw/zinc/23/71/19/344237119.db2.gz SVFJZINEDADOHW-DCAQKATOSA-N 2 0 212.337 1.236 20 0 BDADRP CSCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000084216899 344255127 /nfs/dbraw/zinc/25/51/27/344255127.db2.gz OVBLCCPUNLJXQZ-VHSXEESVSA-N 2 0 202.367 1.457 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCCCn2ccnc2)C1 ZINC000093215679 344312661 /nfs/dbraw/zinc/31/26/61/344312661.db2.gz QPHJBRLOVFUCGT-STQMWFEESA-N 2 0 236.363 1.523 20 0 BDADRP COC(=O)CCCC[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000600699730 344359709 /nfs/dbraw/zinc/35/97/09/344359709.db2.gz CQNIZDPWNRHACN-NEPJUHHUSA-N 2 0 242.363 1.389 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCS[C@H](C)[C@H]1C ZINC000132473040 344301378 /nfs/dbraw/zinc/30/13/78/344301378.db2.gz KEBADUWQWXQQKJ-NXEZZACHSA-N 2 0 202.367 1.422 20 0 BDADRP COCC[C@@H](C)[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000336764198 537845388 /nfs/dbraw/zinc/84/53/88/537845388.db2.gz MXVYOJWYMWYVAG-GFCCVEGCSA-N 2 0 228.380 1.874 20 0 BDADRP CCCCc1cc(NC2CC[NH2+]CC2)ncn1 ZINC000634807425 344392163 /nfs/dbraw/zinc/39/21/63/344392163.db2.gz LPCBTHAJIASRND-UHFFFAOYSA-N 2 0 234.347 1.983 20 0 BDADRP CN(c1cc(NC2CC2)ncn1)[C@H](C[NH3+])C1CC1 ZINC000634811666 344396341 /nfs/dbraw/zinc/39/63/41/344396341.db2.gz MVOFCXZJWIYPLT-LLVKDONJSA-N 2 0 247.346 1.224 20 0 BDADRP C[C@@H]1CN(C)C[C@H]1[NH2+]CC(C1CC1)C1CC1 ZINC000381274036 344501180 /nfs/dbraw/zinc/50/11/80/344501180.db2.gz WKOYMPFANAFYFE-QMTHXVAHSA-N 2 0 222.376 1.962 20 0 BDADRP C[NH+]1CCC(CNc2ccccn2)CC1 ZINC000044526214 344541266 /nfs/dbraw/zinc/54/12/66/344541266.db2.gz HTAKPYJSJULZLD-UHFFFAOYSA-N 2 0 205.305 1.835 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)NCCC[NH+](CC)CC ZINC000037621298 344553264 /nfs/dbraw/zinc/55/32/64/344553264.db2.gz HGAYAKBRTNPRGR-ZDUSSCGKSA-N 2 0 243.395 1.352 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCSC1 ZINC000049551867 344652633 /nfs/dbraw/zinc/65/26/33/344652633.db2.gz GSXFHLSOXLIOQA-ZJUUUORDSA-N 2 0 202.367 1.422 20 0 BDADRP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)CC)[C@@H]1CC1(C)C ZINC000574288783 344732461 /nfs/dbraw/zinc/73/24/61/344732461.db2.gz UDHOXMHPJQYZFP-AVGNSLFASA-N 2 0 242.407 1.713 20 0 BDADRP CC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075834815 344792645 /nfs/dbraw/zinc/79/26/45/344792645.db2.gz PLGBROANGWLKFG-ZIAGYGMSSA-N 2 0 240.391 1.565 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)CSC)C1 ZINC000562984716 323078066 /nfs/dbraw/zinc/07/80/66/323078066.db2.gz FMFLQCHANWEYTF-VXGBXAGGSA-N 2 0 246.420 1.032 20 0 BDADRP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339069037 537872978 /nfs/dbraw/zinc/87/29/78/537872978.db2.gz UJZVDLDKDHHOBS-FQUUOJAGSA-N 2 0 240.391 1.610 20 0 BDADRP COc1ccc(CN2CC[C@H]3[NH2+]CC[C@H]3C2)cn1 ZINC000311026420 344907041 /nfs/dbraw/zinc/90/70/41/344907041.db2.gz CFMSUKBNOSORMN-QWHCGFSZSA-N 2 0 247.342 1.274 20 0 BDADRP CN1CCC[C@H]1C[NH2+][C@@H]1CCSC1 ZINC000154522361 345040443 /nfs/dbraw/zinc/04/04/43/345040443.db2.gz JKGKYTJCDPATJK-ZJUUUORDSA-N 2 0 200.351 1.176 20 0 BDADRP COc1ccncc1CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000385750895 345043466 /nfs/dbraw/zinc/04/34/66/345043466.db2.gz RQZITSCYPXTXOF-AAEUAGOBSA-N 2 0 247.342 1.274 20 0 BDADRP CO[C@@H](C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)C(C)(C)C ZINC000154938552 345057715 /nfs/dbraw/zinc/05/77/15/345057715.db2.gz PLKFJIIBWCYJEB-AVGNSLFASA-N 2 0 242.407 1.977 20 0 BDADRP c1ccc(COCC[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000390224141 259382590 /nfs/dbraw/zinc/38/25/90/259382590.db2.gz AYEOAQMTRNQNMK-OAHLLOKOSA-N 2 0 248.370 1.935 20 0 BDADRP C[NH+](C)C1CC([NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000634985026 345169356 /nfs/dbraw/zinc/16/93/56/345169356.db2.gz IZXRGDWLIFDBPV-UNXYVOJBSA-N 2 0 226.364 1.626 20 0 BDADRP [NH3+]CCN(Cc1ccccc1)CC12CC(C1)C[NH2+]2 ZINC000634991469 345177913 /nfs/dbraw/zinc/17/79/13/345177913.db2.gz FWRZVDGSDMMXCJ-UHFFFAOYSA-N 2 0 245.370 1.199 20 0 BDADRP CC(C)[C@H](C[NH3+])C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000634995078 345183751 /nfs/dbraw/zinc/18/37/51/345183751.db2.gz UNCQMEKSTMJIAW-KGLIPLIRSA-N 3 0 239.407 1.293 20 0 BDADRP Cc1ccc(NCC23CC(C2)C[NH2+]3)cn1 ZINC000634995320 345184162 /nfs/dbraw/zinc/18/41/62/345184162.db2.gz ASSQSSHMZQUHLA-UHFFFAOYSA-N 2 0 203.289 1.554 20 0 BDADRP CC(C)[C@@H](C[NH3+])CNC[C@@H]([NH3+])c1ccccc1 ZINC000634995247 345184573 /nfs/dbraw/zinc/18/45/73/345184573.db2.gz YXAOTBQCUDPQLQ-UONOGXRCSA-N 2 0 235.375 1.507 20 0 BDADRP CC(C)[C@H](C[NH3+])CNC[C@]1(C)CCC[NH2+]C1 ZINC000634995624 345185210 /nfs/dbraw/zinc/18/52/10/345185210.db2.gz KWKBMERRGNDNBM-CHWSQXEVSA-N 2 0 227.396 1.197 20 0 BDADRP C([NH2+][C@H]1CCC[C@@H]2OCC[C@H]21)C12CC(C1)C[NH2+]2 ZINC000634995515 345185364 /nfs/dbraw/zinc/18/53/64/345185364.db2.gz HDHBMELYFBHVOD-XCONPDAUSA-N 2 0 236.359 1.286 20 0 BDADRP CC(C)[C@H](C[NH3+])CN[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000634995882 345185731 /nfs/dbraw/zinc/18/57/31/345185731.db2.gz RTUXTBNTRHENRQ-CHWSQXEVSA-N 2 0 239.407 1.482 20 0 BDADRP CC(C)[C@H](C[NH3+])C[NH+]1CCC(CC[NH3+])CC1 ZINC000634996899 345186758 /nfs/dbraw/zinc/18/67/58/345186758.db2.gz YJCQUGKOJLZSJZ-CYBMUJFWSA-N 3 0 227.396 1.278 20 0 BDADRP CC(C)[C@H](C[NH3+])CNCC1([NH3+])CCCC1 ZINC000634996172 345187749 /nfs/dbraw/zinc/18/77/49/345187749.db2.gz BPBXQWIFKISWLY-LLVKDONJSA-N 2 0 213.369 1.078 20 0 BDADRP [NH3+][C@@H]1Cc2ccccc2N(CC23CC(C2)C[NH2+]3)C1 ZINC000634996563 345187790 /nfs/dbraw/zinc/18/77/90/345187790.db2.gz NUQLHIQYJQDCSM-GLWUULTISA-N 2 0 243.354 1.128 20 0 BDADRP C[C@H](C[NH2+]CC12CC(C1)C[NH2+]2)c1ccncc1 ZINC000634997559 345196430 /nfs/dbraw/zinc/19/64/30/345196430.db2.gz NXCGCFTZUTYDCG-LKSINWNRSA-N 2 0 231.343 1.527 20 0 BDADRP C[C@]1(C[NH+]2CCC(C)(F)CC2)CC[NH2+]C1 ZINC000635002498 345203978 /nfs/dbraw/zinc/20/39/78/345203978.db2.gz SOEROBLMKPYLNW-NSHDSACASA-N 2 0 214.328 1.810 20 0 BDADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@H]2CCCOCC2)CC1 ZINC000635003437 345206211 /nfs/dbraw/zinc/20/62/11/345206211.db2.gz DCPFTZZVUNCRLU-AVGNSLFASA-N 2 0 226.364 1.663 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1NCc1cccc2c1CC[NH2+]C2 ZINC000635003467 345206262 /nfs/dbraw/zinc/20/62/62/345206262.db2.gz JWDQIMVGSMQFTE-HUUCEWRRSA-N 2 0 245.370 1.302 20 0 BDADRP CC(C)(F)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000635003803 345206936 /nfs/dbraw/zinc/20/69/36/345206936.db2.gz LTDHCCAOZIXOKF-VHSXEESVSA-N 2 0 202.317 1.842 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000635004967 345208321 /nfs/dbraw/zinc/20/83/21/345208321.db2.gz RRPZYXIZRMQRQK-AAVRWANBSA-N 2 0 240.391 1.515 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCCC12CC2 ZINC000635004900 345208572 /nfs/dbraw/zinc/20/85/72/345208572.db2.gz RDNBXRZWXCQHGL-WUHRBBMRSA-N 2 0 238.375 1.661 20 0 BDADRP C[C@H]1CN(C)C[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635004777 345208612 /nfs/dbraw/zinc/20/86/12/345208612.db2.gz FJCHVZOQROEJOS-CYDGBPFRSA-N 2 0 225.380 1.044 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000635005293 345209168 /nfs/dbraw/zinc/20/91/68/345209168.db2.gz UEUTUHJWMOBVIX-IJLUTSLNSA-N 2 0 214.353 1.268 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@H](C)CCCC[NH3+] ZINC000635005644 345209762 /nfs/dbraw/zinc/20/97/62/345209762.db2.gz VWPXTCMWMYBVHO-VXGBXAGGSA-N 2 0 216.369 1.645 20 0 BDADRP C[C@@H](CCCCO)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635006463 345210493 /nfs/dbraw/zinc/21/04/93/345210493.db2.gz RJHIPQQJWQOXNH-AVGNSLFASA-N 2 0 228.380 1.645 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000635006592 345211296 /nfs/dbraw/zinc/21/12/96/345211296.db2.gz ZIMJXJHDRYRTSR-JHJVBQTASA-N 2 0 228.380 1.787 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CCCO1 ZINC000635006849 345211338 /nfs/dbraw/zinc/21/13/38/345211338.db2.gz TYBPFAUJULIPDM-CYDGBPFRSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CCCO1 ZINC000635006851 345211538 /nfs/dbraw/zinc/21/15/38/345211538.db2.gz TYBPFAUJULIPDM-LPWJVIDDSA-N 2 0 226.364 1.661 20 0 BDADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000635008119 345215853 /nfs/dbraw/zinc/21/58/53/345215853.db2.gz ZODVFCOJFHUBRP-XDQVBPFNSA-N 3 0 239.407 1.611 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635008432 345216187 /nfs/dbraw/zinc/21/61/87/345216187.db2.gz UFMRDWNOASOIII-TUAOUCFPSA-N 2 0 227.396 1.480 20 0 BDADRP CCC[N@H+](CCCCOC)C1CC[NH2+]CC1 ZINC000158528546 345345409 /nfs/dbraw/zinc/34/54/09/345345409.db2.gz PRYYNUYLRWHKPS-UHFFFAOYSA-N 2 0 228.380 1.877 20 0 BDADRP CCSCC[NH+]1CCC(C[NH3+])CC1 ZINC000158560845 345349028 /nfs/dbraw/zinc/34/90/28/345349028.db2.gz XWXXJHJQNIZYLO-UHFFFAOYSA-N 2 0 202.367 1.410 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC2(CC2)CC1 ZINC000626115144 345328376 /nfs/dbraw/zinc/32/83/76/345328376.db2.gz HJIKIYRXWMFXJO-CYBMUJFWSA-N 2 0 240.391 1.565 20 0 BDADRP CC(C)(O)C(C)(C)C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000393598569 345427866 /nfs/dbraw/zinc/42/78/66/345427866.db2.gz MCPIGECDUNHEIU-QWRGUYRKSA-N 2 0 228.380 1.501 20 0 BDADRP Cc1cc(N2CCC[C@@H](CC[NH3+])C2)cc[nH+]1 ZINC000159503965 345439351 /nfs/dbraw/zinc/43/93/51/345439351.db2.gz JHRKBZLRDMYMQB-LBPRGKRZSA-N 2 0 219.332 1.955 20 0 BDADRP CC(C)(C)CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000135984118 345468693 /nfs/dbraw/zinc/46/86/93/345468693.db2.gz CDEBUNXSIAYBRN-GFCCVEGCSA-N 2 0 228.380 1.469 20 0 BDADRP Cc1cnccc1CC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000090846764 345576832 /nfs/dbraw/zinc/57/68/32/345576832.db2.gz IHSABZUOUVPOPD-ZFWWWQNUSA-N 2 0 247.386 1.862 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H](C)CCCC[NH3+])CC1 ZINC000310499359 259383443 /nfs/dbraw/zinc/38/34/43/259383443.db2.gz HMZMHBSSSHYSLB-ZDUSSCGKSA-N 3 0 241.423 1.825 20 0 BDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]CC1(C)CCC1 ZINC000434777244 537900745 /nfs/dbraw/zinc/90/07/45/537900745.db2.gz OYRUFLAQWYTWJB-CYBMUJFWSA-N 2 0 239.407 1.402 20 0 BDADRP Cn1c(N2CCC[NH2+]CC2)nc2cccc(F)c21 ZINC000214868714 345741836 /nfs/dbraw/zinc/74/18/36/345741836.db2.gz KIQONAKPUIXOTG-UHFFFAOYSA-N 2 0 248.305 1.512 20 0 BDADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2cccnc2)C1 ZINC000221395412 345747638 /nfs/dbraw/zinc/74/76/38/345747638.db2.gz UHUCFTHIFWNQHM-AAEUAGOBSA-N 2 0 219.332 1.689 20 0 BDADRP CC[N@@H+]1CCC[C@@H](CNCc2cnc(C)o2)C1 ZINC000628210302 345811203 /nfs/dbraw/zinc/81/12/03/345811203.db2.gz PPNJTBIKWWMGOV-LBPRGKRZSA-N 2 0 237.347 1.805 20 0 BDADRP COCCCCN1CCC[C@H]([NH2+]C(C)C)C1 ZINC000070585935 345788668 /nfs/dbraw/zinc/78/86/68/345788668.db2.gz FUVMILMDLQDYEY-ZDUSSCGKSA-N 2 0 228.380 1.875 20 0 BDADRP Cc1ncc(CNCC2=CC[N@H+](C)CC2)o1 ZINC000628232422 346185201 /nfs/dbraw/zinc/18/52/01/346185201.db2.gz XVOLZTYFMKYBJS-UHFFFAOYSA-N 2 0 221.304 1.335 20 0 BDADRP Cc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c(C)c1 ZINC000090320050 537956628 /nfs/dbraw/zinc/95/66/28/537956628.db2.gz KNBSTKBCAVUEEY-GJZGRUSLSA-N 2 0 230.355 1.955 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@@H](O)CC(F)(F)F ZINC000307944328 346298346 /nfs/dbraw/zinc/29/83/46/346298346.db2.gz WEOJIGJWNNGRIV-BDAKNGLRSA-N 2 0 242.285 1.230 20 0 BDADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)CC[NH2+]C1CC1 ZINC000567123658 323121056 /nfs/dbraw/zinc/12/10/56/323121056.db2.gz PIJQNPGXLMIOPL-ZDUSSCGKSA-N 2 0 241.379 1.008 20 0 BDADRP COC1(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)CCCC1 ZINC000381604583 346416734 /nfs/dbraw/zinc/41/67/34/346416734.db2.gz PMZFXKROUKRXCD-RYUDHWBXSA-N 2 0 226.364 1.533 20 0 BDADRP CN1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000378952513 346427601 /nfs/dbraw/zinc/42/76/01/346427601.db2.gz IRVVVOVANUVBCL-MROQNXINSA-N 2 0 208.349 1.859 20 0 BDADRP COc1cc(C[NH+]2CCC([C@H](C)[NH3+])CC2)on1 ZINC000641795940 362736866 /nfs/dbraw/zinc/73/68/66/362736866.db2.gz BPLUVRQTIZNTPH-VIFPVBQESA-N 2 0 239.319 1.242 20 0 BDADRP CO[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000300365525 346432777 /nfs/dbraw/zinc/43/27/77/346432777.db2.gz RUQAQXVEMZLEPB-FIQHERPVSA-N 2 0 212.337 1.413 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000300400288 346435373 /nfs/dbraw/zinc/43/53/73/346435373.db2.gz UWQACXIWFVJQNB-SRVKXCTJSA-N 2 0 214.353 1.397 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCc2cncn2C)C1 ZINC000641797258 362743148 /nfs/dbraw/zinc/74/31/48/362743148.db2.gz ZMKOBKFDTWVPOF-VXGBXAGGSA-N 2 0 236.363 1.022 20 0 BDADRP c1n[nH]cc1CC[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000641798587 362745130 /nfs/dbraw/zinc/74/51/30/362745130.db2.gz JXHRPMVJFAUMLK-KBPBESRZSA-N 2 0 248.374 1.274 20 0 BDADRP Cn1cncc1CC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000641798965 362745987 /nfs/dbraw/zinc/74/59/87/362745987.db2.gz RTWNPMNIGWMLHC-FPMFFAJLSA-N 2 0 248.374 1.022 20 0 BDADRP CCCc1nc(C)c(CN2C[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000641798731 362746418 /nfs/dbraw/zinc/74/64/18/362746418.db2.gz LJDRCPYPLKKIBI-TXEJJXNPSA-N 2 0 249.358 1.587 20 0 BDADRP Cn1cncc1CC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000641798967 362747447 /nfs/dbraw/zinc/74/74/47/362747447.db2.gz RTWNPMNIGWMLHC-UBHSHLNASA-N 2 0 248.374 1.022 20 0 BDADRP c1n[nH]cc1CC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000641800204 362749846 /nfs/dbraw/zinc/74/98/46/362749846.db2.gz YUEAFGIEGVGDTP-CQSZACIVSA-N 2 0 248.374 1.274 20 0 BDADRP C[C@@H]1CC[C@H](CN)[N@H+](CC2CC[NH2+]CC2)[C@@H]1C ZINC000641805628 362763112 /nfs/dbraw/zinc/76/31/12/362763112.db2.gz FWSRSSLFMQDKSM-YRGRVCCFSA-N 2 0 239.407 1.434 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cccc(O)c1 ZINC000580074963 346511050 /nfs/dbraw/zinc/51/10/50/346511050.db2.gz PMGNTHMVLSLZSZ-NXEZZACHSA-N 2 0 208.305 1.608 20 0 BDADRP CCc1nocc1CN[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641800438 362752065 /nfs/dbraw/zinc/75/20/65/362752065.db2.gz BJPITHNPVXUEOM-MNOVXSKESA-N 2 0 223.320 1.452 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCO[C@@H]1CC1(F)F ZINC000641800727 362752907 /nfs/dbraw/zinc/75/29/07/362752907.db2.gz DRYMJTKGJHAKMM-HRDYMLBCSA-N 2 0 234.290 1.126 20 0 BDADRP COCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000152101267 323127501 /nfs/dbraw/zinc/12/75/01/323127501.db2.gz NYKXPHHWDHCKEL-UHFFFAOYSA-N 2 0 212.337 1.097 20 0 BDADRP CN(CC[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)c1ccccc1 ZINC000641801844 362758653 /nfs/dbraw/zinc/75/86/53/362758653.db2.gz FRFFKYJQMZHHTD-ZIAGYGMSSA-N 2 0 247.386 1.838 20 0 BDADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](C)COC)C1 ZINC000187387661 346572611 /nfs/dbraw/zinc/57/26/11/346572611.db2.gz OZZAPYVEVAEXSY-KGLIPLIRSA-N 2 0 242.407 1.933 20 0 BDADRP CC(C)C[C@H]([NH3+])c1noc(CC[NH2+]C2CC2)n1 ZINC000577122790 365827387 /nfs/dbraw/zinc/82/73/87/365827387.db2.gz XOCKXWSROMMKTJ-JTQLQIEISA-N 2 0 238.335 1.410 20 0 BDADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](C)COC)C1 ZINC000187705699 346599991 /nfs/dbraw/zinc/59/99/91/346599991.db2.gz USMVYLLRWOPXOT-OLZOCXBDSA-N 2 0 228.380 1.590 20 0 BDADRP CCn1ccnc1C[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000577151622 365839110 /nfs/dbraw/zinc/83/91/10/365839110.db2.gz JKMOHSVFHGAPIZ-SNVBAGLBSA-N 2 0 245.330 1.273 20 0 BDADRP Cc1cccc(OCC[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000132230343 179168401 /nfs/dbraw/zinc/16/84/01/179168401.db2.gz QUMKLAMRQTWLOR-CQSZACIVSA-N 2 0 248.370 1.963 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CC[NH2+]1 ZINC000622004224 370653723 /nfs/dbraw/zinc/65/37/23/370653723.db2.gz MCEAGRRZZKZLQH-AAVRWANBSA-N 3 0 237.391 1.188 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCCc2ccccn2)C1 ZINC000577191575 365870560 /nfs/dbraw/zinc/87/05/60/365870560.db2.gz PHRLLIJWKXSROF-TZMCWYRMSA-N 2 0 233.359 1.874 20 0 BDADRP CCN1CCCC[C@@H]1C[NH2+]C1CC(OC)C1 ZINC000309973709 347208038 /nfs/dbraw/zinc/20/80/38/347208038.db2.gz RECUWOQSWKZNQL-OTTFEQOBSA-N 2 0 226.364 1.628 20 0 BDADRP Cc1ncc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)o1 ZINC000628295600 347228911 /nfs/dbraw/zinc/22/89/11/347228911.db2.gz CJYQPEUAJWTLCL-AWEZNQCLSA-N 2 0 249.358 1.901 20 0 BDADRP C[C@H](CCO)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000397610205 347258055 /nfs/dbraw/zinc/25/80/55/347258055.db2.gz BTNNGNCRDUSMLR-RWMBFGLXSA-N 2 0 228.380 1.467 20 0 BDADRP CCC(C)(C)[C@@H](C)[NH2+]CCN1CC[NH2+]CC1 ZINC000582116158 347377933 /nfs/dbraw/zinc/37/79/33/347377933.db2.gz SEAIZVMRFVETRO-GFCCVEGCSA-N 2 0 227.396 1.306 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH+]2CCC(C[NH3+])CC2)O1 ZINC000149749395 347508111 /nfs/dbraw/zinc/50/81/11/347508111.db2.gz KYBUKLZUQGFUCC-PWSUYJOCSA-N 2 0 212.337 1.225 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@H](CC[NH3+])C2)O1 ZINC000149764764 347514201 /nfs/dbraw/zinc/51/42/01/347514201.db2.gz PYZBKLVKWMLOHC-JHJVBQTASA-N 2 0 226.364 1.615 20 0 BDADRP CC[C@H]([NH2+]C[C@H](C)[NH3+])C1(C(=O)OC)CCC1 ZINC000591581385 347678811 /nfs/dbraw/zinc/67/88/11/347678811.db2.gz SZDJRNLPUGLBCE-UWVGGRQHSA-N 2 0 228.336 1.045 20 0 BDADRP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cn1 ZINC000252904863 347691954 /nfs/dbraw/zinc/69/19/54/347691954.db2.gz QYMYTJKSHAVKLF-SOUVJXGZSA-N 2 0 245.370 1.949 20 0 BDADRP CC(C)[NH+](CCNC(=O)CCCC[NH3+])C(C)C ZINC000070201499 349976430 /nfs/dbraw/zinc/97/64/30/349976430.db2.gz FSHPLNXMVVELIR-UHFFFAOYSA-N 2 0 243.395 1.350 20 0 BDADRP CCOC(=O)CCCC[NH+]1CCC(C)([NH3+])CC1 ZINC000592485205 347786502 /nfs/dbraw/zinc/78/65/02/347786502.db2.gz RHUSYJDOUFZXBT-UHFFFAOYSA-N 2 0 242.363 1.533 20 0 BDADRP Cc1ccccc1NC(=O)CN1CC[C@H](C[NH3+])C1 ZINC000050247094 179299391 /nfs/dbraw/zinc/29/93/91/179299391.db2.gz YAXJPWVMCMPEEN-GFCCVEGCSA-N 2 0 247.342 1.214 20 0 BDADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])C(C)C ZINC000295191606 179325318 /nfs/dbraw/zinc/32/53/18/179325318.db2.gz OCTBCRNCQBLBDH-CHWSQXEVSA-N 2 0 249.358 1.094 20 0 BDADRP C[N@H+](CCC1CC[NH2+]CC1)Cc1cccnc1 ZINC000038076094 348048729 /nfs/dbraw/zinc/04/87/29/348048729.db2.gz TXOPMWSGHSPGMA-UHFFFAOYSA-N 2 0 233.359 1.903 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@]1(C)CCCC[C@@H]1C ZINC000308710380 348101696 /nfs/dbraw/zinc/10/16/96/348101696.db2.gz NHRJWLLRJLWZEZ-MJBXVCDLSA-N 2 0 242.407 1.857 20 0 BDADRP Cc1cccnc1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000235786282 179375425 /nfs/dbraw/zinc/37/54/25/179375425.db2.gz KTGGMFQLHCNARZ-ZDUSSCGKSA-N 2 0 219.332 1.561 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CCCCO2)C[C@@H]1C[NH3+] ZINC000397485090 362888238 /nfs/dbraw/zinc/88/82/38/362888238.db2.gz UAKKSWCDRUVUSO-RFGFWPKPSA-N 2 0 240.391 1.861 20 0 BDADRP Cc1nc(C)c(C[NH2+]CC2CC[NH+](C)CC2)o1 ZINC000311708548 349984155 /nfs/dbraw/zinc/98/41/55/349984155.db2.gz USZMKJKSOQGBKC-UHFFFAOYSA-N 2 0 237.347 1.723 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623489140 362914592 /nfs/dbraw/zinc/91/45/92/362914592.db2.gz RQLNNGXOVSBVNX-SRVKXCTJSA-N 2 0 228.380 1.608 20 0 BDADRP C[C@H]([NH2+]CCOCC[NH+](C)C)[C@@H]1C[C@H]1C1CC1 ZINC000623494315 362917186 /nfs/dbraw/zinc/91/71/86/362917186.db2.gz LYVGPHXBHOZATR-UBHSHLNASA-N 2 0 240.391 1.589 20 0 BDADRP Cc1ccncc1C[NH2+]CCCC[NH+](C)C ZINC000135458055 179487096 /nfs/dbraw/zinc/48/70/96/179487096.db2.gz CFICYARDNWHSNA-UHFFFAOYSA-N 2 0 221.348 1.821 20 0 BDADRP CCOCCCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000388379700 349997966 /nfs/dbraw/zinc/99/79/66/349997966.db2.gz KKXHUTYZBHQHRC-NWDGAFQWSA-N 2 0 214.353 1.663 20 0 BDADRP C[C@@H]1CSC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000308799833 348642641 /nfs/dbraw/zinc/64/26/41/348642641.db2.gz ADKTYLHLXNUKQC-WOPDTQHZSA-N 2 0 228.405 1.669 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)C(C)(C)C ZINC000308797473 348643036 /nfs/dbraw/zinc/64/30/36/348643036.db2.gz CTZXBZPYMQQOLY-MNOVXSKESA-N 2 0 216.369 1.323 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@H]1C ZINC000308861150 348908399 /nfs/dbraw/zinc/90/83/99/348908399.db2.gz PGSCAWCSSWOJDW-UTUOFQBUSA-N 2 0 214.353 1.077 20 0 BDADRP CCC[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)OC ZINC000382189056 348964154 /nfs/dbraw/zinc/96/41/54/348964154.db2.gz BIMBWKNLQDOGOD-GRYCIOLGSA-N 2 0 214.353 1.661 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]([NH3+])C2CC2)C1(C)C ZINC000399324354 323203846 /nfs/dbraw/zinc/20/38/46/323203846.db2.gz KGCOAZJIAFEUGD-GRYCIOLGSA-N 2 0 226.364 1.517 20 0 BDADRP CCC[C@H](C)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000053486214 349065608 /nfs/dbraw/zinc/06/56/08/349065608.db2.gz ZJWIYTCTFRCBPP-STQMWFEESA-N 2 0 227.396 1.401 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](CC2(F)CC2)C1 ZINC000308922965 349128555 /nfs/dbraw/zinc/12/85/55/349128555.db2.gz CNQJUFANCFXQMU-JTQLQIEISA-N 2 0 200.301 1.549 20 0 BDADRP C[C@@H]1CCC[C@H](CN2CCN(C)C[C@H]2C[NH3+])C1 ZINC000251746306 349188651 /nfs/dbraw/zinc/18/86/51/349188651.db2.gz JNIYBUIECVTBHO-HZSPNIEDSA-N 2 0 239.407 1.387 20 0 BDADRP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C[N@H+](C)CC ZINC000388592136 349204245 /nfs/dbraw/zinc/20/42/45/349204245.db2.gz MCOIMCSASINYPN-UPJWGTAASA-N 2 0 228.380 1.467 20 0 BDADRP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)CC ZINC000388592134 349204652 /nfs/dbraw/zinc/20/46/52/349204652.db2.gz MCOIMCSASINYPN-JHJVBQTASA-N 2 0 228.380 1.467 20 0 BDADRP CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](CCC[NH3+])COC ZINC000388608740 349256725 /nfs/dbraw/zinc/25/67/25/349256725.db2.gz WYZIHIUNFLMBPJ-AGIUHOORSA-N 2 0 228.380 1.909 20 0 BDADRP CC1(C)[C@H]([NH2+]CCCC[NH3+])[C@@H]2CCCO[C@@H]21 ZINC000082945450 349360343 /nfs/dbraw/zinc/36/03/43/349360343.db2.gz FOSBEMLBXGSTLW-TUAOUCFPSA-N 2 0 226.364 1.519 20 0 BDADRP CC[NH+]1CCC(C[NH2+]CC2(C)COC2)CC1 ZINC000070617357 350031054 /nfs/dbraw/zinc/03/10/54/350031054.db2.gz MOCNOJSDHIYODH-UHFFFAOYSA-N 2 0 226.364 1.344 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000131403543 191010920 /nfs/dbraw/zinc/01/09/20/191010920.db2.gz FOSBCYOIAIXDRD-CHWSQXEVSA-N 2 0 228.380 1.733 20 0 BDADRP CCCCOCCN(C)[C@H]1CC[NH2+]C1 ZINC000070896555 350071000 /nfs/dbraw/zinc/07/10/00/350071000.db2.gz RGYUHSKPJXFQPU-NSHDSACASA-N 2 0 200.326 1.097 20 0 BDADRP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)[C@H]1CCOC1 ZINC000131885864 191017614 /nfs/dbraw/zinc/01/76/14/191017614.db2.gz DBSIATLKVPLMEP-NEPJUHHUSA-N 2 0 228.380 1.589 20 0 BDADRP CC[NH2+]CCC[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000521423196 259410622 /nfs/dbraw/zinc/41/06/22/259410622.db2.gz ZOJFEQRPRHWZPD-LBPRGKRZSA-N 2 0 236.359 1.829 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422721905 192443418 /nfs/dbraw/zinc/44/34/18/192443418.db2.gz WJSWXUZADPCWGN-MELADBBJSA-N 2 0 241.423 1.694 20 0 BDADRP CC(C)[N@@H+](C)C[C@@H](C)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000309193944 350166756 /nfs/dbraw/zinc/16/67/56/350166756.db2.gz CXZWEHAVMWVGAI-AGIUHOORSA-N 2 0 227.396 1.575 20 0 BDADRP Cc1nccc(N2CC[C@H](c3nccn3C)C2)n1 ZINC000372304644 180195521 /nfs/dbraw/zinc/19/55/21/180195521.db2.gz HMWJUFRVDHPEMZ-NSHDSACASA-N 2 0 243.314 1.512 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000083528258 350237523 /nfs/dbraw/zinc/23/75/23/350237523.db2.gz INDFFHNGVQBPEB-STQMWFEESA-N 2 0 226.364 1.616 20 0 BDADRP CC[NH+]1CCC([NH2+]Cc2ccc(O)cc2)CC1 ZINC000037976723 350297331 /nfs/dbraw/zinc/29/73/31/350297331.db2.gz RKPWFEIOAUWTJK-UHFFFAOYSA-N 2 0 234.343 1.966 20 0 BDADRP C[C@H](CCO)CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623535059 362954061 /nfs/dbraw/zinc/95/40/61/362954061.db2.gz LAPRSYQWWWNMRC-QWHCGFSZSA-N 2 0 242.407 1.857 20 0 BDADRP Cc1ncsc1CCN1CCC[NH2+]CC1 ZINC000050284427 180309324 /nfs/dbraw/zinc/30/93/24/180309324.db2.gz CEQKVHJCYAEGRZ-UHFFFAOYSA-N 2 0 225.361 1.289 20 0 BDADRP CCC[N@H+](C)CC(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000429184567 191100768 /nfs/dbraw/zinc/10/07/68/191100768.db2.gz QTDSIVZJKUYPMJ-ZDUSSCGKSA-N 2 0 243.395 1.208 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2COc3ccccc3C2)C1 ZINC000328144065 350376497 /nfs/dbraw/zinc/37/64/97/350376497.db2.gz RCVBJMBTLVVSTK-MGPQQGTHSA-N 2 0 246.354 1.850 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+]CCC[NH+](C)C)CCO1 ZINC000069858513 350416152 /nfs/dbraw/zinc/41/61/52/350416152.db2.gz WFWBDAMDYAQSIK-OLZOCXBDSA-N 2 0 228.380 1.731 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)C2CCOCC2)C1 ZINC000163316023 350517201 /nfs/dbraw/zinc/51/72/01/350517201.db2.gz DLNCTJLCDZCIND-STQMWFEESA-N 2 0 240.391 1.733 20 0 BDADRP CC[C@@H](O)CC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000128323056 490576786 /nfs/dbraw/zinc/57/67/86/490576786.db2.gz RKTMFPXLSAKWFS-WCQYABFASA-N 2 0 228.380 1.467 20 0 BDADRP CC[C@H](COC)[NH2+][C@H](C)CC[NH+](C)C ZINC000070624284 350554681 /nfs/dbraw/zinc/55/46/81/350554681.db2.gz MYWSWTSIDNRDTR-GHMZBOCLSA-N 2 0 202.342 1.341 20 0 BDADRP CO[C@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000577528234 365977266 /nfs/dbraw/zinc/97/72/66/365977266.db2.gz GSBUQFFCUPZMLK-CYDGBPFRSA-N 2 0 226.364 1.804 20 0 BDADRP CCCC[C@@H](COC)[NH2+]CCN(C)C ZINC000336646935 350562974 /nfs/dbraw/zinc/56/29/74/350562974.db2.gz DOBDIXXKMLFTDT-NSHDSACASA-N 2 0 202.342 1.343 20 0 BDADRP C[NH2+]CCCC(=O)Nc1cccc(C[NH2+]C)c1 ZINC000237226343 350748137 /nfs/dbraw/zinc/74/81/37/350748137.db2.gz AWXIEVWZAJIQST-UHFFFAOYSA-N 2 0 235.331 1.344 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)[C@@H]2CCCC[NH2+]2)c1 ZINC000237227012 350749008 /nfs/dbraw/zinc/74/90/08/350749008.db2.gz LUNYRRCDOUARNW-ZDUSSCGKSA-N 2 0 247.342 1.487 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+]CC[C@H]1CCOC1 ZINC000336676471 191124897 /nfs/dbraw/zinc/12/48/97/191124897.db2.gz PTXAJINLTMEDGW-ZDUSSCGKSA-N 2 0 228.380 1.733 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@@](C)(OC)C2CC2)CC1 ZINC000336680272 350900253 /nfs/dbraw/zinc/90/02/53/350900253.db2.gz DOFXTEFCLDBOOJ-CQSZACIVSA-N 2 0 240.391 1.875 20 0 BDADRP CCN1CCC[C@H]([NH2+][C@@H](C)CCC[NH3+])C1 ZINC000336688382 350970964 /nfs/dbraw/zinc/97/09/64/350970964.db2.gz LOIQMXKUUNTPPS-RYUDHWBXSA-N 2 0 213.369 1.188 20 0 BDADRP Fc1ccc(CC[NH2+]C2CC[NH2+]CC2)c(F)c1 ZINC000258815592 351067018 /nfs/dbraw/zinc/06/70/18/351067018.db2.gz CSNPCKLKNPFUBA-UHFFFAOYSA-N 2 0 240.297 1.849 20 0 BDADRP C=Cn1cc(C[NH2+]CC2(C)CC[NH+](C)CC2)cn1 ZINC000219394382 191132611 /nfs/dbraw/zinc/13/26/11/191132611.db2.gz FGYUHWVXZPPUPP-UHFFFAOYSA-N 2 0 248.374 1.805 20 0 BDADRP C(C[C@@H]1CC[NH2+]C1)SCC1CC[NH2+]CC1 ZINC000571759496 323473195 /nfs/dbraw/zinc/47/31/95/323473195.db2.gz UDEZEEYUIHXXHZ-NSHDSACASA-N 2 0 228.405 1.719 20 0 BDADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCC([NH3+])(CC)CC ZINC000353166046 351347104 /nfs/dbraw/zinc/34/71/04/351347104.db2.gz IUNVELXCHSIGOT-GHMZBOCLSA-N 2 0 241.379 1.008 20 0 BDADRP c1cc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)sn1 ZINC000404494228 351482111 /nfs/dbraw/zinc/48/21/11/351482111.db2.gz ZTVXNDXMVXQEPJ-QWRGUYRKSA-N 2 0 237.372 1.860 20 0 BDADRP c1cc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)sn1 ZINC000404494229 351482571 /nfs/dbraw/zinc/48/25/71/351482571.db2.gz ZTVXNDXMVXQEPJ-WDEREUQCSA-N 2 0 237.372 1.860 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000414671206 351578313 /nfs/dbraw/zinc/57/83/13/351578313.db2.gz NJXIEXZFNXXLOO-XUXIUFHCSA-N 3 0 239.407 1.419 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)C[C@H](C)[NH3+])c1 ZINC000637809262 351646084 /nfs/dbraw/zinc/64/60/84/351646084.db2.gz OIFGPHCJXSTVQI-VIFPVBQESA-N 2 0 221.304 1.082 20 0 BDADRP CC[NH2+][C@@H](C)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000637859978 351721152 /nfs/dbraw/zinc/72/11/52/351721152.db2.gz JBZDMCJTGXKTAJ-QWRGUYRKSA-N 2 0 249.358 1.321 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)N(C)CC(C)(C)C[NH3+] ZINC000637862723 351723732 /nfs/dbraw/zinc/72/37/32/351723732.db2.gz UFDCXXRUVBJPCR-NSHDSACASA-N 2 0 243.395 1.193 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)C[NH2+]C2CC2)c1 ZINC000577750049 366053551 /nfs/dbraw/zinc/05/35/51/366053551.db2.gz OOVASDVROCLYOA-UHFFFAOYSA-N 2 0 233.315 1.144 20 0 BDADRP COCCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000178029807 366079591 /nfs/dbraw/zinc/07/95/91/366079591.db2.gz YEAVDVBCGMSAAH-STQMWFEESA-N 2 0 228.380 1.733 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@H+](CCC[C@@H]2CCO2)C1 ZINC000638077938 351950817 /nfs/dbraw/zinc/95/08/17/351950817.db2.gz YORPZGQNJUCWHN-QWHCGFSZSA-N 2 0 226.364 1.439 20 0 BDADRP C[C@@H](CC1CCCC1)[NH2+]CCN1CC[NH2+]CC1 ZINC000414868091 351968418 /nfs/dbraw/zinc/96/84/18/351968418.db2.gz HFOXSRBCIQGBMY-ZDUSSCGKSA-N 2 0 239.407 1.450 20 0 BDADRP CC(C)CC[C@@H]([NH3+])C(=O)NCC[N@H+](C)C(C)C ZINC000638098112 351980162 /nfs/dbraw/zinc/98/01/62/351980162.db2.gz ZDVRVMINULJMSC-GFCCVEGCSA-N 2 0 243.395 1.206 20 0 BDADRP CC[NH2+][C@H](C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000638173843 352038442 /nfs/dbraw/zinc/03/84/42/352038442.db2.gz DSJBGRUGBHDXHX-SECBINFHSA-N 2 0 221.304 1.082 20 0 BDADRP CO[C@@H](C[NH2+]CCC[NH+](C)C)C1CCCC1 ZINC000638290410 352126275 /nfs/dbraw/zinc/12/62/75/352126275.db2.gz SGUQQWMEWPZPFG-ZDUSSCGKSA-N 2 0 228.380 1.733 20 0 BDADRP CC[NH+]1CCC([NH2+]CCC[C@H]2CCO2)CC1 ZINC000638291140 352127350 /nfs/dbraw/zinc/12/73/50/352127350.db2.gz MGFWKLXOTSESGX-ZDUSSCGKSA-N 2 0 226.364 1.629 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)C2=CC[C@@H]([NH3+])C2)c1 ZINC000638366835 352178051 /nfs/dbraw/zinc/17/80/51/352178051.db2.gz SEOSIEASOHZSEM-GFCCVEGCSA-N 2 0 245.326 1.440 20 0 BDADRP CC[C@H](C)[C@H](C[NH2+]CCCC[NH+](C)C)OC ZINC000638451066 352257745 /nfs/dbraw/zinc/25/77/45/352257745.db2.gz JZORWJWDXNILES-STQMWFEESA-N 2 0 230.396 1.979 20 0 BDADRP CO[C@@](C)(C[NH2+]CCCC[NH+](C)C)C1CC1 ZINC000638450852 352257864 /nfs/dbraw/zinc/25/78/64/352257864.db2.gz JHNGHRWJEJBLAX-ZDUSSCGKSA-N 2 0 228.380 1.733 20 0 BDADRP C[C@@H]([NH2+]CCCC[NH+](C)C)[C@@H]1CC1(F)F ZINC000638450550 352261299 /nfs/dbraw/zinc/26/12/99/352261299.db2.gz GJXRPXMQSNBALL-ZJUUUORDSA-N 2 0 220.307 1.962 20 0 BDADRP C[NH+](C)CCCC[NH2+]Cc1cc(C2CC2)no1 ZINC000638452040 352262397 /nfs/dbraw/zinc/26/23/97/352262397.db2.gz UGOMABUFPCWNLN-UHFFFAOYSA-N 2 0 237.347 1.983 20 0 BDADRP CC[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](OC)C2CC2)C1 ZINC000638452418 352262974 /nfs/dbraw/zinc/26/29/74/352262974.db2.gz YXXQLEDBIUYAGS-GXTWGEPZSA-N 2 0 240.391 1.733 20 0 BDADRP CC(C)(C)[NH2+]CCNC[C@@]1(C)CCC[NH2+]C1 ZINC000414919531 352281628 /nfs/dbraw/zinc/28/16/28/352281628.db2.gz XGYQXJNMLQHOKW-ZDUSSCGKSA-N 2 0 227.396 1.354 20 0 BDADRP CC(C)COCC[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000261536985 535176778 /nfs/dbraw/zinc/17/67/78/535176778.db2.gz ULLLLBHXCBDGJH-NEPJUHHUSA-N 2 0 214.353 1.328 20 0 BDADRP CCN(CC[NH3+])C(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000638522225 352355793 /nfs/dbraw/zinc/35/57/93/352355793.db2.gz BXRTVWRIVAJLEJ-NWDGAFQWSA-N 2 0 241.379 1.091 20 0 BDADRP CCN(CC[NH3+])C(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000638515635 352344547 /nfs/dbraw/zinc/34/45/47/352344547.db2.gz BRJSPVLALQWPJL-JTQLQIEISA-N 2 0 235.331 1.127 20 0 BDADRP C[C@@H](Cc1cnccn1)[NH2+]CC1CC[NH+](C)CC1 ZINC000638566138 352391435 /nfs/dbraw/zinc/39/14/35/352391435.db2.gz BGJOLNKEHFNGIV-LBPRGKRZSA-N 2 0 248.374 1.339 20 0 BDADRP C(C[NH2+][C@@H]1CCN(CC2CC2)C1)C[C@@H]1CCO1 ZINC000638581600 352412904 /nfs/dbraw/zinc/41/29/04/352412904.db2.gz CJKFNWPQHBHOEE-ZIAGYGMSSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)[C@@H]1CC1(F)F ZINC000638589099 352420727 /nfs/dbraw/zinc/42/07/27/352420727.db2.gz RDAIAHNSURRVBQ-DCAQKATOSA-N 2 0 232.318 1.962 20 0 BDADRP C[C@H](C[NH2+]CCC[C@@H]1CCO1)N(C)C1CC1 ZINC000638574377 352404835 /nfs/dbraw/zinc/40/48/35/352404835.db2.gz DDHOWRYJDXWIKX-DGCLKSJQSA-N 2 0 226.364 1.628 20 0 BDADRP Cc1ccc(CCC[NH2+][C@@H](C)[C@@H](C)[NH3+])cn1 ZINC000415008530 352512615 /nfs/dbraw/zinc/51/26/15/352512615.db2.gz FDOGGLJNAGTBII-NEPJUHHUSA-N 2 0 221.348 1.648 20 0 BDADRP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@H]3CCCO3)C2)C1 ZINC000334235411 352852353 /nfs/dbraw/zinc/85/23/53/352852353.db2.gz HAPWMTWYMUHVIK-KGLIPLIRSA-N 2 0 238.375 1.583 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CC1(CCO)CCCC1 ZINC000422805380 192474562 /nfs/dbraw/zinc/47/45/62/192474562.db2.gz GOXCKWNAWKPVRE-NWDGAFQWSA-N 2 0 226.364 1.399 20 0 BDADRP CO[C@@H](C[NH2+]CC1=CC[N@H+](C)CC1)CC(C)C ZINC000638839149 353016348 /nfs/dbraw/zinc/01/63/48/353016348.db2.gz YMZIKCVVPXGSHR-CQSZACIVSA-N 2 0 240.391 1.899 20 0 BDADRP CC(C)C[C@H]([NH3+])C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638821819 353002722 /nfs/dbraw/zinc/00/27/22/353002722.db2.gz BAVFJDBYCLSUFZ-RYUDHWBXSA-N 2 0 241.379 1.090 20 0 BDADRP CC(C)C[C@@H]([NH3+])C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638821820 353002790 /nfs/dbraw/zinc/00/27/90/353002790.db2.gz BAVFJDBYCLSUFZ-VXGBXAGGSA-N 2 0 241.379 1.090 20 0 BDADRP CC(C)([NH3+])CCC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638823910 353005185 /nfs/dbraw/zinc/00/51/85/353005185.db2.gz ZFVVMRQHIZVQIU-LLVKDONJSA-N 2 0 241.379 1.234 20 0 BDADRP COCC1(C[NH2+]CCN2CC[C@@H](C)C2)CCC1 ZINC000638874897 353045047 /nfs/dbraw/zinc/04/50/47/353045047.db2.gz YKKZOUHXUKNDBG-CYBMUJFWSA-N 2 0 240.391 1.735 20 0 BDADRP CC1([NH3+])CC[NH+]([C@@H]2CCSC2)CC1 ZINC000307514059 353079932 /nfs/dbraw/zinc/07/99/32/353079932.db2.gz OHLDGNPNMHMZFK-SECBINFHSA-N 2 0 200.351 1.305 20 0 BDADRP CC(C)[C@@](C)(O)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000380190407 538111681 /nfs/dbraw/zinc/11/16/81/538111681.db2.gz PTDYMCQMFRWPHE-JSGCOSHPSA-N 2 0 242.407 1.713 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@H]1CCCC[C@H]1C[NH3+] ZINC000250452024 353272568 /nfs/dbraw/zinc/27/25/68/353272568.db2.gz ZQMLHPWTJQVSAR-MJBXVCDLSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@H]([NH3+])CC(=O)N1CC[C@H](C[NH3+])c2ccccc21 ZINC000639065780 353376722 /nfs/dbraw/zinc/37/67/22/353376722.db2.gz XLHOKVKJOZDHAY-WDEREUQCSA-N 2 0 247.342 1.203 20 0 BDADRP C[C@H](C[NH3+])C(=O)N1CC[C@@H](C[NH3+])c2ccccc21 ZINC000639067283 353381252 /nfs/dbraw/zinc/38/12/52/353381252.db2.gz HXQZNPNEMWBDPU-MNOVXSKESA-N 2 0 247.342 1.060 20 0 BDADRP C[C@@H]([NH3+])CC(=O)N1CC[C@@H](C[NH3+])c2ccccc21 ZINC000639069570 353383777 /nfs/dbraw/zinc/38/37/77/353383777.db2.gz XLHOKVKJOZDHAY-MNOVXSKESA-N 2 0 247.342 1.203 20 0 BDADRP OC1(C[NH2+]Cc2ccc3c[nH+]cn3c2)CCCC1 ZINC000583495591 353670212 /nfs/dbraw/zinc/67/02/12/353670212.db2.gz MCIRWGFUXNGRCT-UHFFFAOYSA-N 2 0 245.326 1.729 20 0 BDADRP C[N@H+]1C[C@@H]2C[NH+](CCC[C@H]3CCO3)C[C@@H]2C1 ZINC000639113709 353707465 /nfs/dbraw/zinc/70/74/65/353707465.db2.gz SHRIOLSZTHUPQZ-XQQFMLRXSA-N 2 0 224.348 1.049 20 0 BDADRP C1CC1[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000232450670 353727090 /nfs/dbraw/zinc/72/70/90/353727090.db2.gz YFZVWULYZVYASS-UPJWGTAASA-N 2 0 224.348 1.286 20 0 BDADRP Fc1ccccc1CC[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000006222365 181011786 /nfs/dbraw/zinc/01/17/86/181011786.db2.gz LKGGEIDOPQEVHS-GFCCVEGCSA-N 2 0 236.334 1.957 20 0 BDADRP Fc1ccccc1CC[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000006222367 181011864 /nfs/dbraw/zinc/01/18/64/181011864.db2.gz LKGGEIDOPQEVHS-LBPRGKRZSA-N 2 0 236.334 1.957 20 0 BDADRP Fc1ccccc1CC[NH2+]C1CC[NH2+]CC1 ZINC000038040544 181012240 /nfs/dbraw/zinc/01/22/40/181012240.db2.gz VYMGEDUMZOWZAV-UHFFFAOYSA-N 2 0 222.307 1.710 20 0 BDADRP CC(C)COCC[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000232663315 353752894 /nfs/dbraw/zinc/75/28/94/353752894.db2.gz WZMQNRNJXHMYAY-CYBMUJFWSA-N 2 0 228.380 1.720 20 0 BDADRP C[C@H](CN[C@H]1C[N@H+](C)C[C@H]1C)C[NH+]1CCCC1 ZINC000343331330 353739073 /nfs/dbraw/zinc/73/90/73/353739073.db2.gz JALPIAKCJHIZNN-MCIONIFRSA-N 2 0 239.407 1.258 20 0 BDADRP C([NH2+][C@@H]1CCSC1)C1CC[NH+](C2CC2)CC1 ZINC000309598146 188527629 /nfs/dbraw/zinc/52/76/29/188527629.db2.gz JDUOSPMFPVMQKC-GFCCVEGCSA-N 2 0 240.416 1.956 20 0 BDADRP CC[N@H+](CCN[C@H]1C[NH+](CC)C[C@H]1C)C1CC1 ZINC000343916039 354040273 /nfs/dbraw/zinc/04/02/73/354040273.db2.gz PIOGHSZVLSSONU-OCCSQVGLSA-N 2 0 239.407 1.401 20 0 BDADRP CO[C@](C)(C[N@H+](C)CCC[NH+](C)C)C1CC1 ZINC000639168421 354073267 /nfs/dbraw/zinc/07/32/67/354073267.db2.gz UDUPPVHWYQNLCO-CYBMUJFWSA-N 2 0 228.380 1.685 20 0 BDADRP CC[C@@H](C)C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344019590 354082055 /nfs/dbraw/zinc/08/20/55/354082055.db2.gz FUVNUXMUHVZNKH-CQSZACIVSA-N 2 0 243.439 1.848 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCOC2)[C@H]2CCC[C@@H]21 ZINC000343980368 354057302 /nfs/dbraw/zinc/05/73/02/354057302.db2.gz IXZCQJASWFEMET-MQYQWHSLSA-N 2 0 238.375 1.628 20 0 BDADRP CC(C)[C@H](C[NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000449673608 202000296 /nfs/dbraw/zinc/00/02/96/202000296.db2.gz PHPYHQYMHIUBNA-ZDUSSCGKSA-N 2 0 247.342 1.459 20 0 BDADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)C(C)C ZINC000344194193 354180394 /nfs/dbraw/zinc/18/03/94/354180394.db2.gz ZQTCUFYKQVFCTR-UHFFFAOYSA-N 2 0 241.423 1.744 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000334598694 354233816 /nfs/dbraw/zinc/23/38/16/354233816.db2.gz XIDAWGTWFTTZHA-WCQYABFASA-N 3 0 225.380 1.045 20 0 BDADRP [NH3+]C1CCC([NH2+]C[C@H]2CCNCC2(F)F)CC1 ZINC000334614815 354299888 /nfs/dbraw/zinc/29/98/88/354299888.db2.gz FVWDTWFLRFEINW-KPPDAEKUSA-N 2 0 247.333 1.091 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(CO)CCCC1 ZINC000349424435 366192378 /nfs/dbraw/zinc/19/23/78/366192378.db2.gz NJJJBTXYHAHHQX-QWHCGFSZSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@H](F)CC[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639211856 354764027 /nfs/dbraw/zinc/76/40/27/354764027.db2.gz YWXFBMSFQNXVGC-NSHDSACASA-N 2 0 246.370 1.559 20 0 BDADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCCSC1 ZINC000234263292 363418576 /nfs/dbraw/zinc/41/85/76/363418576.db2.gz SZIVKIOLNKQEHC-LLVKDONJSA-N 2 0 232.393 1.050 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+]CCC[NH2+]C)C1(C)C ZINC000233778880 363408598 /nfs/dbraw/zinc/40/85/98/363408598.db2.gz PYCWGTHUKLRJLB-MNOVXSKESA-N 2 0 214.353 1.389 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C1CCCCC1 ZINC000234776802 363430523 /nfs/dbraw/zinc/43/05/23/363430523.db2.gz AOTYRRSBUZYMNV-LBPRGKRZSA-N 2 0 214.353 1.663 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000234808081 363431668 /nfs/dbraw/zinc/43/16/68/363431668.db2.gz LLJSUYYAQLFIQW-UTUOFQBUSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CO)C2)CCN1C ZINC000639223102 354927319 /nfs/dbraw/zinc/92/73/19/354927319.db2.gz QWCBFYGWQITJKI-RNJOBUHISA-N 2 0 226.364 1.220 20 0 BDADRP C[C@@H]([NH3+])c1ccc(N[C@@H]2CCC[NH2+]C2)cc1 ZINC000335177383 354946833 /nfs/dbraw/zinc/94/68/33/354946833.db2.gz JSDUYSJXMSDJOL-ZWNOBZJWSA-N 2 0 219.332 1.870 20 0 BDADRP [NH3+]CC1CCC([NH2+]CC23CC(C2)CO3)CC1 ZINC000530224052 324543992 /nfs/dbraw/zinc/54/39/92/324543992.db2.gz VYYQOYCTIXGFEV-UHFFFAOYSA-N 2 0 224.348 1.273 20 0 BDADRP CC(C)[C@@H]([NH3+])CCN(C)C[C@@H]1CCC[NH2+]C1 ZINC000346685901 355011771 /nfs/dbraw/zinc/01/17/71/355011771.db2.gz QTHPLSZDBOYCKW-OLZOCXBDSA-N 2 0 227.396 1.291 20 0 BDADRP CC[C@@H]1C[C@H](C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)CCO1 ZINC000346645628 355017160 /nfs/dbraw/zinc/01/71/60/355017160.db2.gz DZMNFRCXGUYGDQ-RFQIPJPRSA-N 2 0 240.391 1.861 20 0 BDADRP Cc1n[nH]cc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000346827900 355127586 /nfs/dbraw/zinc/12/75/86/355127586.db2.gz MUEJMMRRWDCLPZ-DRZSPHRISA-N 2 0 234.347 1.277 20 0 BDADRP Cc1n[nH]c(C)c1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000346853503 355138875 /nfs/dbraw/zinc/13/88/75/355138875.db2.gz SSJUDUBRWRKZPU-UHTWSYAYSA-N 2 0 234.347 1.196 20 0 BDADRP C[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000113516427 355233838 /nfs/dbraw/zinc/23/38/38/355233838.db2.gz MQKBAHHTLRKAHZ-OLZOCXBDSA-N 2 0 226.364 1.439 20 0 BDADRP C[C@H]1CC2(C[N@@H+]1Cc1ccnn1C)CC[NH2+]CC2 ZINC000335281766 355273099 /nfs/dbraw/zinc/27/30/99/355273099.db2.gz XFYHRGMBLIHFJU-LBPRGKRZSA-N 2 0 248.374 1.384 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@H+](CCOC(C)(C)C)C1 ZINC000113514116 355250359 /nfs/dbraw/zinc/25/03/59/355250359.db2.gz FETVCOITLPFTLZ-LBPRGKRZSA-N 2 0 228.380 1.685 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+]CCC[C@@H]2CCO2)C1 ZINC000639257310 355302850 /nfs/dbraw/zinc/30/28/50/355302850.db2.gz LVWDPJBLTOUEHB-ZIAGYGMSSA-N 2 0 240.391 1.877 20 0 BDADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000414117434 191449584 /nfs/dbraw/zinc/44/95/84/191449584.db2.gz SCTNAMYOPGDZIY-AAVRWANBSA-N 2 0 242.407 1.977 20 0 BDADRP CC(C)OCC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000228619159 355380033 /nfs/dbraw/zinc/38/00/33/355380033.db2.gz PLBBXHNVOYGOPQ-NWDGAFQWSA-N 2 0 214.353 1.341 20 0 BDADRP CC(C)[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)C(C)(C)O ZINC000583510573 355347615 /nfs/dbraw/zinc/34/76/15/355347615.db2.gz VXEUPJAWFLEDCN-TUAOUCFPSA-N 2 0 228.380 1.641 20 0 BDADRP CCN(CC[NH2+]C(C)(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000414712505 191554104 /nfs/dbraw/zinc/55/41/04/191554104.db2.gz JCAQZDIFEAYLMK-CYBMUJFWSA-N 2 0 241.423 1.839 20 0 BDADRP C[C@H]1C[C@H](O)C[N@@H+]1CCC[NH+]1CCCCC1 ZINC000349854383 355497140 /nfs/dbraw/zinc/49/71/40/355497140.db2.gz OHMVNXVPRILKBR-STQMWFEESA-N 2 0 226.364 1.318 20 0 BDADRP CCCC[C@H](C[NH3+])NCC[NH2+]C(C)(C)C ZINC000414818051 191581097 /nfs/dbraw/zinc/58/10/97/191581097.db2.gz UNWHWZQEXZNRAM-LLVKDONJSA-N 2 0 215.385 1.482 20 0 BDADRP CC(C)[C@](C)(O)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000261583538 535285853 /nfs/dbraw/zinc/28/58/53/535285853.db2.gz PCRBHLMIQRRLTR-FRRDWIJNSA-N 2 0 228.380 1.501 20 0 BDADRP c1cc2c(c(C[NH2+]CC[C@H]3CC[NH2+]C3)c1)NCC2 ZINC000414834817 191594300 /nfs/dbraw/zinc/59/43/00/191594300.db2.gz QXNUEZVMBVACEH-GFCCVEGCSA-N 2 0 245.370 1.744 20 0 BDADRP CC[NH2+]Cc1cccc(N[C@@H]2CC[NH2+]C2)c1 ZINC000414861162 191604585 /nfs/dbraw/zinc/60/45/85/191604585.db2.gz FDGFXYFJIGQYNF-CYBMUJFWSA-N 2 0 219.332 1.570 20 0 BDADRP CC[C@@H]1C[C@@H](C[NH2+][C@H](C)CCC[NH3+])CCO1 ZINC000415019720 191654499 /nfs/dbraw/zinc/65/44/99/191654499.db2.gz ILVYBDNWIRXNTO-FRRDWIJNSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@H](CCC1CC1)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415029359 191656467 /nfs/dbraw/zinc/65/64/67/191656467.db2.gz AVCCEUWBIOPDPO-YPMHNXCESA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000398646565 355547843 /nfs/dbraw/zinc/54/78/43/355547843.db2.gz AENNAGVZJURPFX-JHJVBQTASA-N 2 0 228.380 1.658 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000414877732 191611345 /nfs/dbraw/zinc/61/13/45/191611345.db2.gz NDAJTKREWLJPJN-GFCCVEGCSA-N 2 0 244.342 1.557 20 0 BDADRP C([NH2+][C@H]1CCC[C@H]1C1CC1)[C@H]1CC[NH2+]C1 ZINC000414899069 191620199 /nfs/dbraw/zinc/62/01/99/191620199.db2.gz CDQGFJULVZTVKP-DRZSPHRISA-N 2 0 208.349 1.764 20 0 BDADRP COc1cccc2c1CC[C@H]([NH2+]CCCC[NH3+])C2 ZINC000414912894 191622574 /nfs/dbraw/zinc/62/25/74/191622574.db2.gz VEJBDAAQZPNWJH-ZDUSSCGKSA-N 2 0 248.370 1.881 20 0 BDADRP C[C@H](CC1CCOCC1)[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415038893 191659779 /nfs/dbraw/zinc/65/97/79/191659779.db2.gz NULYHXJAQCODPO-MRVWCRGKSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@]2(C)CC[NH2+]C2)cc1 ZINC000335878412 355649118 /nfs/dbraw/zinc/64/91/18/355649118.db2.gz LVLHFZZCHIKRPS-IINYFYTJSA-N 2 0 247.342 1.644 20 0 BDADRP CO[C@@H](C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)C1CC1 ZINC000639308140 355663064 /nfs/dbraw/zinc/66/30/64/355663064.db2.gz BSMGPSDELQDOCB-UHTWSYAYSA-N 2 0 226.364 1.341 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CS1 ZINC000639308146 355663175 /nfs/dbraw/zinc/66/31/75/355663175.db2.gz BZGJUTKEXUPXEE-FIQHERPVSA-N 2 0 228.405 1.810 20 0 BDADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC)C1 ZINC000350181233 355621352 /nfs/dbraw/zinc/62/13/52/355621352.db2.gz MEFLMXGUKGKKIZ-LBPRGKRZSA-N 2 0 214.353 1.439 20 0 BDADRP CO[C@](C)(C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)C1CC1 ZINC000639312629 355676086 /nfs/dbraw/zinc/67/60/86/355676086.db2.gz LLHIRSXJWNNPNQ-KWCYVHTRSA-N 2 0 240.391 1.731 20 0 BDADRP COCC1(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CCC1 ZINC000639313005 355684320 /nfs/dbraw/zinc/68/43/20/355684320.db2.gz PYAAVUBKEGGKKC-BETUJISGSA-N 2 0 240.391 1.733 20 0 BDADRP CCCN1CC[C@H]([NH2+]CC2CC(OCC)C2)C1 ZINC000639331002 355745500 /nfs/dbraw/zinc/74/55/00/355745500.db2.gz SCGAEDDMJGGAAX-MOKVOYLWSA-N 2 0 240.391 1.875 20 0 BDADRP C[N@@H+]1CCCC[C@H](C[NH2+]CCC[C@H]2CCO2)C1 ZINC000639345924 355792407 /nfs/dbraw/zinc/79/24/07/355792407.db2.gz CUHILIBAQKNLBX-KGLIPLIRSA-N 2 0 240.391 1.877 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(CCO)CC1 ZINC000536609599 355844085 /nfs/dbraw/zinc/84/40/85/355844085.db2.gz VTOMVEKGRIPOOV-AWEZNQCLSA-N 2 0 240.391 1.565 20 0 BDADRP [NH3+]CCC1CC[NH+](CCOCC(F)F)CC1 ZINC000583636259 355943850 /nfs/dbraw/zinc/94/38/50/355943850.db2.gz OZQUODZADGNLDH-UHFFFAOYSA-N 2 0 236.306 1.329 20 0 BDADRP C[N@@H+]1CCN(CC[NH2+]CC2(C)CC2)CC1(C)C ZINC000582220085 355953971 /nfs/dbraw/zinc/95/39/71/355953971.db2.gz GEMAZGSSYDMKMP-UHFFFAOYSA-N 2 0 239.407 1.402 20 0 BDADRP CC[C@H](COC)[NH2+]C[C@@H]1CCC[N@H+](CC)C1 ZINC000167103541 355958301 /nfs/dbraw/zinc/95/83/01/355958301.db2.gz VONMUADHCBEFLA-QWHCGFSZSA-N 2 0 228.380 1.733 20 0 BDADRP COC[C@H]1CC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000351227603 355964198 /nfs/dbraw/zinc/96/41/98/355964198.db2.gz OJUKDUVYSQSHTD-UONOGXRCSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000584349931 356061884 /nfs/dbraw/zinc/06/18/84/356061884.db2.gz BKEUAAKPPFVNIW-SKDRFNHKSA-N 2 0 233.315 1.082 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)C2([NH3+])CCC2)cc1 ZINC000584351798 356081322 /nfs/dbraw/zinc/08/13/22/356081322.db2.gz MDJPDDJOLFYFKL-UHFFFAOYSA-N 2 0 233.315 1.226 20 0 BDADRP C[C@H]1OCC[C@H]1C[NH+]1CCC([NH+](C)C)CC1 ZINC000639450511 356234453 /nfs/dbraw/zinc/23/44/53/356234453.db2.gz QJRRRRNIPILGEG-NEPJUHHUSA-N 2 0 226.364 1.437 20 0 BDADRP C[C@H](N)[C@H]1CCCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420264971 192191921 /nfs/dbraw/zinc/19/19/21/192191921.db2.gz AWIHKZYPRFVPJH-BFHYXJOUSA-N 2 0 239.407 1.578 20 0 BDADRP C[NH2+]CC1CC[NH+](CCC(=O)OC(C)C)CC1 ZINC000420294250 192203757 /nfs/dbraw/zinc/20/37/57/192203757.db2.gz OGBWCRZWSATGJT-UHFFFAOYSA-N 2 0 242.363 1.260 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420295639 192203972 /nfs/dbraw/zinc/20/39/72/192203972.db2.gz VVRVTZAUYHREIJ-BFHYXJOUSA-N 3 0 239.407 1.435 20 0 BDADRP COCCC1(C[NH2+][C@H](C)C[C@H](C)[NH3+])CCC1 ZINC000422887953 192498215 /nfs/dbraw/zinc/49/82/15/192498215.db2.gz LUOVBETXPCDZCK-NWDGAFQWSA-N 2 0 228.380 1.909 20 0 BDADRP CC[N@H+](CCCO)CC[C@@H]1CCC[NH2+]C1 ZINC000420299230 192204888 /nfs/dbraw/zinc/20/48/88/192204888.db2.gz IKUDYMOLJFLQLM-LBPRGKRZSA-N 2 0 214.353 1.080 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000420296929 192205027 /nfs/dbraw/zinc/20/50/27/192205027.db2.gz XQWYQOWIZPLGQT-AGIUHOORSA-N 3 0 225.380 1.045 20 0 BDADRP CC[NH2+]CC1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420296278 192205676 /nfs/dbraw/zinc/20/56/76/192205676.db2.gz XAKADAKCXVSNDD-ZDUSSCGKSA-N 3 0 239.407 1.308 20 0 BDADRP CC(C)[N@@H+](CCc1cncn1C)C[C@@H](C)O ZINC000639481325 356296212 /nfs/dbraw/zinc/29/62/12/356296212.db2.gz AISJHUWMJUQYAC-LLVKDONJSA-N 2 0 225.336 1.054 20 0 BDADRP CC[NH+](CC)CCCN1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000420281076 192198765 /nfs/dbraw/zinc/19/87/65/192198765.db2.gz ZHUZLBOZOBZWSM-UONOGXRCSA-N 2 0 241.423 1.920 20 0 BDADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@H]2CCOC2)CC1 ZINC000336119420 134089714 /nfs/dbraw/zinc/08/97/14/134089714.db2.gz NPVWLSQENNORMR-CHWSQXEVSA-N 2 0 226.364 1.439 20 0 BDADRP CCCN(CC[C@H]1CC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000420286302 192199213 /nfs/dbraw/zinc/19/92/13/192199213.db2.gz FFNCRNOAZCMVOC-OLZOCXBDSA-N 2 0 225.380 1.060 20 0 BDADRP CC[NH+](CC)CCCN[C@@](C)(C[NH3+])C1CC1 ZINC000420282119 192200360 /nfs/dbraw/zinc/20/03/60/192200360.db2.gz AQUFYDLIZXQVET-ZDUSSCGKSA-N 2 0 227.396 1.435 20 0 BDADRP C[NH2+][C@@H]1CCCN(CC[C@H]2CCC[NH2+]C2)C1 ZINC000420287324 192201301 /nfs/dbraw/zinc/20/13/01/192201301.db2.gz GCMTUOYGTFLFIZ-CHWSQXEVSA-N 2 0 225.380 1.060 20 0 BDADRP [NH3+][C@H]1CCN(CCCc2ccsc2)C1 ZINC000420290450 192201630 /nfs/dbraw/zinc/20/16/30/192201630.db2.gz JDARVTZEYSFWEH-NSHDSACASA-N 2 0 210.346 1.714 20 0 BDADRP CC[NH+](CC)CCCN1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000420289636 192201639 /nfs/dbraw/zinc/20/16/39/192201639.db2.gz KMFKKXJIFHQWMC-ZIAGYGMSSA-N 2 0 241.423 1.778 20 0 BDADRP C[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)[C@H]1CN ZINC000420289712 192202235 /nfs/dbraw/zinc/20/22/35/192202235.db2.gz KWGIPFUXGGLORH-RDBSUJKOSA-N 2 0 239.407 1.435 20 0 BDADRP CC[NH+](CC)CCC[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000420292130 192203359 /nfs/dbraw/zinc/20/33/59/192203359.db2.gz LIAYPWNJKPNBJM-CYBMUJFWSA-N 3 0 241.423 1.778 20 0 BDADRP C[C@@]1(C[NH3+])CC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC000420314802 192213296 /nfs/dbraw/zinc/21/32/96/192213296.db2.gz LLGPKOSZWHXOQP-STQMWFEESA-N 2 0 226.364 1.616 20 0 BDADRP C(CN1CC[C@@H]2C[NH2+]C[C@@H]21)[C@H]1CCCCO1 ZINC000420330531 192214217 /nfs/dbraw/zinc/21/42/17/192214217.db2.gz ASYBJBGFIKIFBG-UPJWGTAASA-N 2 0 224.348 1.239 20 0 BDADRP CC(C)(C)[C@H](CN)[NH2+]CCC1CC[NH2+]CC1 ZINC000420354961 192218934 /nfs/dbraw/zinc/21/89/34/192218934.db2.gz DSALTELSCYZDIT-LBPRGKRZSA-N 2 0 227.396 1.339 20 0 BDADRP FCCC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420334896 192214709 /nfs/dbraw/zinc/21/47/09/192214709.db2.gz UNMGCEFZOYFNCG-NWDGAFQWSA-N 2 0 214.328 1.668 20 0 BDADRP CCOCCC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420336759 192214996 /nfs/dbraw/zinc/21/49/96/192214996.db2.gz WGMZQMARHNKJHI-KGLIPLIRSA-N 2 0 240.391 1.735 20 0 BDADRP [NH3+]C[C@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000420305667 192208515 /nfs/dbraw/zinc/20/85/15/192208515.db2.gz ZCBJMBYVTDFLBB-CYBMUJFWSA-N 2 0 225.380 1.143 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420305231 192208953 /nfs/dbraw/zinc/20/89/53/192208953.db2.gz GHGIPWGGIIRKAF-STQMWFEESA-N 3 0 225.380 1.047 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC[C@@H]3CC[NH2+]C3)C[C@H]21 ZINC000420313006 192210166 /nfs/dbraw/zinc/21/01/66/192210166.db2.gz SZIKLNHMGNDQAT-REWJHTLYSA-N 3 0 237.391 1.045 20 0 BDADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCCc3ccncc3)C[C@@H]12 ZINC000420315700 192212372 /nfs/dbraw/zinc/21/23/72/192212372.db2.gz XGDXWIFVEGIEGX-RRFJBIMHSA-N 2 0 245.370 1.683 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC[C@@H]3CCC[NH2+]C3)C[C@@H]12 ZINC000420314675 192212380 /nfs/dbraw/zinc/21/23/80/192212380.db2.gz WAVAWXIEZASFAC-REWJHTLYSA-N 3 0 237.391 1.045 20 0 BDADRP CC(C)[C@](C)(C[NH3+])NCCC[NH+]1CCCCC1 ZINC000420317080 192212667 /nfs/dbraw/zinc/21/26/67/192212667.db2.gz MZJRBHCBFJSTSE-AWEZNQCLSA-N 2 0 241.423 1.825 20 0 BDADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)CCn1cccn1 ZINC000420314474 192212949 /nfs/dbraw/zinc/21/29/49/192212949.db2.gz KCAUFYOGFAXOTJ-CYBMUJFWSA-N 2 0 236.363 1.205 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cccnc1 ZINC000420369366 192225965 /nfs/dbraw/zinc/22/59/65/192225965.db2.gz ISFFFSWAMMAPBG-VXGBXAGGSA-N 2 0 219.332 1.732 20 0 BDADRP CC(C)(C)[C@@H](C[NH3+])NCCC[NH+]1CCCCC1 ZINC000420369922 192228335 /nfs/dbraw/zinc/22/83/35/192228335.db2.gz VHAHQRSVMVRFIS-CYBMUJFWSA-N 2 0 241.423 1.825 20 0 BDADRP COCC[C@H](C)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420324982 192229525 /nfs/dbraw/zinc/22/95/25/192229525.db2.gz HTICSNMMVPMNRA-MELADBBJSA-N 2 0 240.391 1.733 20 0 BDADRP C[NH2+]CCCN[C@@H](C[NH3+])C1CCCCC1 ZINC000420354720 192219867 /nfs/dbraw/zinc/21/98/67/192219867.db2.gz BJNADBVLQHDLKH-LBPRGKRZSA-N 2 0 213.369 1.093 20 0 BDADRP C[N@H+](C[C@@H](O)C[NH3+])[C@H]1CCc2ccc(F)cc21 ZINC000420361026 192222115 /nfs/dbraw/zinc/22/21/15/192222115.db2.gz XQDAWKPOXCWWBQ-AAEUAGOBSA-N 2 0 238.306 1.064 20 0 BDADRP CC(C)[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000420359970 192222645 /nfs/dbraw/zinc/22/26/45/192222645.db2.gz LITUJIATPWDDOS-KBPBESRZSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)[C@H]1CCCO1 ZINC000420394800 192236674 /nfs/dbraw/zinc/23/66/74/192236674.db2.gz CSSZGKVAUNMWGQ-YNEHKIRRSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H]([NH2+]CCOCC[NH3+])c1cccc(F)c1F ZINC000420393945 192237192 /nfs/dbraw/zinc/23/71/92/192237192.db2.gz CDXMWVCATPGNEK-VIFPVBQESA-N 2 0 244.285 1.591 20 0 BDADRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)C1CCCC1 ZINC000420399012 192238044 /nfs/dbraw/zinc/23/80/44/192238044.db2.gz HJRIVAMHRRERJW-GFCCVEGCSA-N 2 0 225.380 1.060 20 0 BDADRP C[NH2+]CCC[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000420404233 192238087 /nfs/dbraw/zinc/23/80/87/192238087.db2.gz LZGZEKAHQHMDRV-HUUCEWRRSA-N 2 0 248.370 1.963 20 0 BDADRP Cc1ccc([C@@H](C)[NH2+]CCOCC[NH3+])cc1F ZINC000420400190 192238653 /nfs/dbraw/zinc/23/86/53/192238653.db2.gz IJSNNSAQOFHGNI-LLVKDONJSA-N 2 0 240.322 1.760 20 0 BDADRP CC(C)OC(=O)CC[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420415237 192240995 /nfs/dbraw/zinc/24/09/95/192240995.db2.gz UXPKLMNDNVEQCX-NWDGAFQWSA-N 2 0 242.363 1.245 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)[C@H]1CCCOC1 ZINC000420414070 192241233 /nfs/dbraw/zinc/24/12/33/192241233.db2.gz UGXDEWPLUVGMDG-IHRRRGAJSA-N 2 0 240.391 1.781 20 0 BDADRP CC[N@@H+]1CCN(CC[C@@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000352676903 356402054 /nfs/dbraw/zinc/40/20/54/356402054.db2.gz VCQHGEUDAOXYIC-KBPBESRZSA-N 2 0 239.407 1.497 20 0 BDADRP CC[C@@H](C)[N@H+](CC[C@H]1CC[NH2+]C1)CC(=O)OC ZINC000420377079 192231233 /nfs/dbraw/zinc/23/12/33/192231233.db2.gz RNYCDYNOYVAPPM-VXGBXAGGSA-N 2 0 242.363 1.260 20 0 BDADRP CCn1nccc1C[N@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420373671 192232430 /nfs/dbraw/zinc/23/24/30/192232430.db2.gz MVFIFIDDAJNWEJ-GFCCVEGCSA-N 2 0 236.363 1.334 20 0 BDADRP C[C@H](F)CC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000336198506 134127676 /nfs/dbraw/zinc/12/76/76/134127676.db2.gz SDYGZAHZGMHKSA-NWDGAFQWSA-N 2 0 214.328 1.762 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CCOc1ccc(F)cc1 ZINC000422939672 192511154 /nfs/dbraw/zinc/51/11/54/192511154.db2.gz MKWOSFKPCMTLMC-LLVKDONJSA-N 2 0 240.322 1.922 20 0 BDADRP CCOCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422902974 192514247 /nfs/dbraw/zinc/51/42/47/192514247.db2.gz VKQNCTSQEXSVFX-UHFFFAOYSA-N 2 0 200.326 1.130 20 0 BDADRP C[C@@H](O)CC(C)(C)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422926609 192508278 /nfs/dbraw/zinc/50/82/78/192508278.db2.gz XBNZMLWTJJEYIH-UTUOFQBUSA-N 2 0 228.380 1.514 20 0 BDADRP Cc1ccsc1[C@@H](CO)[NH2+][C@@H](C)CCC[NH3+] ZINC000422985768 192519464 /nfs/dbraw/zinc/51/94/64/192519464.db2.gz AGHXLRPXTORIRH-WDEREUQCSA-N 2 0 242.388 1.807 20 0 BDADRP CO[C@@H](C)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639706280 356614382 /nfs/dbraw/zinc/61/43/82/356614382.db2.gz XGVKOZFGKLQAFS-ZDUSSCGKSA-N 2 0 249.358 1.629 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000423004265 192534276 /nfs/dbraw/zinc/53/42/76/192534276.db2.gz JKGHPAVXUXXRDP-SYQHCUMBSA-N 2 0 240.391 1.787 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCCC(C)(C)CO ZINC000423006084 192536133 /nfs/dbraw/zinc/53/61/33/192536133.db2.gz NXUVPZJUWLEPAO-QWRGUYRKSA-N 2 0 216.369 1.501 20 0 BDADRP CC1(C[NH2+]C2CCC(C[NH3+])CC2)CCOCC1 ZINC000423021323 192543531 /nfs/dbraw/zinc/54/35/31/192543531.db2.gz DYNNLCASYSDQRN-UHFFFAOYSA-N 2 0 240.391 1.910 20 0 BDADRP CCC(O)(CC)CC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000423069830 192557378 /nfs/dbraw/zinc/55/73/78/192557378.db2.gz MJJVDYPTFOZCEF-VXGBXAGGSA-N 2 0 228.380 1.645 20 0 BDADRP CO[C@H](CC[NH2+][C@H]1CCC[C@@H]1[NH3+])C(F)(F)F ZINC000423076171 192561512 /nfs/dbraw/zinc/56/15/12/192561512.db2.gz YIAHWRRMJUECFW-XHNCKOQMSA-N 2 0 240.269 1.423 20 0 BDADRP [NH3+]CC1CCC([NH2+]CC2(CO)CCCC2)CC1 ZINC000423052762 192552479 /nfs/dbraw/zinc/55/24/79/192552479.db2.gz QLJXUWOECACAMS-UHFFFAOYSA-N 2 0 240.391 1.646 20 0 BDADRP CSCCCCC[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000423052260 192553362 /nfs/dbraw/zinc/55/33/62/192553362.db2.gz PJQNMCAHBDELAC-JTQLQIEISA-N 2 0 216.394 1.717 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@H]2OCCC[C@H]12 ZINC000423059906 192554594 /nfs/dbraw/zinc/55/45/94/192554594.db2.gz NCTLZTOIGYERGP-FDYHWXHSSA-N 2 0 226.364 1.661 20 0 BDADRP C[NH+]1CCC2(CC[N@@H+]([C@@H]3CCCOC3)C2)CC1 ZINC000639757396 356663672 /nfs/dbraw/zinc/66/36/72/356663672.db2.gz KUWQISLQGBGVPQ-CYBMUJFWSA-N 2 0 238.375 1.583 20 0 BDADRP C[NH+]1CCC2(CC[N@H+](CCCF)C2)CC1 ZINC000639756942 356663775 /nfs/dbraw/zinc/66/37/75/356663775.db2.gz AOWTXKNCEDKUIO-UHFFFAOYSA-N 2 0 214.328 1.764 20 0 BDADRP CC(C)OCC[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757236 356663811 /nfs/dbraw/zinc/66/38/11/356663811.db2.gz JLBUKTLEWBWHKJ-UHFFFAOYSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCOC[C@H]1C ZINC000423111879 192571469 /nfs/dbraw/zinc/57/14/69/192571469.db2.gz RCILQPKMXCFACO-UPJWGTAASA-N 2 0 228.380 1.766 20 0 BDADRP CO[C@H]1CCCC[C@@H]1[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423117149 192573330 /nfs/dbraw/zinc/57/33/30/192573330.db2.gz UARBJPZRCIHBDT-USZNOCQGSA-N 2 0 214.353 1.659 20 0 BDADRP C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@](O)(CN(C)C)C1 ZINC000639761078 356675880 /nfs/dbraw/zinc/67/58/80/356675880.db2.gz CVSGYYNLXGBCTB-AGIUHOORSA-N 2 0 226.364 1.031 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCC(C)(C)O ZINC000168021562 134155341 /nfs/dbraw/zinc/15/53/41/134155341.db2.gz ZLOVZKQVJMYLKU-QWRGUYRKSA-N 2 0 214.353 1.077 20 0 BDADRP CCC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000450402269 202156806 /nfs/dbraw/zinc/15/68/06/202156806.db2.gz KQJNNGFGAXAYCL-VXGBXAGGSA-N 2 0 214.353 1.031 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000578185496 366369694 /nfs/dbraw/zinc/36/96/94/366369694.db2.gz MLRWTIFVQSGUDF-SCRDCRAPSA-N 2 0 248.374 1.517 20 0 BDADRP C[C@H]([NH2+]CCC[NH+](C)C)[C@@H]1C[C@H]1C1CC1 ZINC000623336766 356728006 /nfs/dbraw/zinc/72/80/06/356728006.db2.gz DGOISXNSLRDYRG-DRZSPHRISA-N 2 0 210.365 1.962 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000423149802 192590872 /nfs/dbraw/zinc/59/08/72/192590872.db2.gz XWJWBTGENFMPSZ-LMLFDSFASA-N 2 0 200.301 1.594 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCC[C@@H](F)C1 ZINC000578193615 366379756 /nfs/dbraw/zinc/37/97/56/366379756.db2.gz IRUWKYMBHVQAKB-MMWGEVLESA-N 2 0 202.317 1.983 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+]C2CCC(C[NH3+])CC2)[C@@H](C)O1 ZINC000423176924 192611213 /nfs/dbraw/zinc/61/12/13/192611213.db2.gz GPKQJKYXUCUEGB-LRUBOHGLSA-N 2 0 240.391 1.907 20 0 BDADRP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000353494745 538747038 /nfs/dbraw/zinc/74/70/38/538747038.db2.gz DZQBCSWLDWEYIO-HZSPNIEDSA-N 2 0 240.391 1.467 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)CCC[NH3+])[C@@H](O)C(C)C ZINC000423184120 192614527 /nfs/dbraw/zinc/61/45/27/192614527.db2.gz MXLSFZMKEFWRTM-SRVKXCTJSA-N 2 0 216.369 1.499 20 0 BDADRP COCCCN(C)CC[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000353534623 538749565 /nfs/dbraw/zinc/74/95/65/538749565.db2.gz UGBVPRKSRWPCPN-ZIAGYGMSSA-N 2 0 242.407 1.979 20 0 BDADRP CC[C@@H]1CCC[C@@H]([NH2+]C[C@](C)(O)C[NH+](C)C)C1 ZINC000300408543 357040603 /nfs/dbraw/zinc/04/06/03/357040603.db2.gz VPTRTGXXDSUERO-MCIONIFRSA-N 2 0 242.407 1.857 20 0 BDADRP CC[C@@H]1CN(C[C@@H](O)C[N@H+](C)CC)CCS1 ZINC000390587755 357102335 /nfs/dbraw/zinc/10/23/35/357102335.db2.gz RJJOPLMHXPVDEI-NWDGAFQWSA-N 2 0 246.420 1.126 20 0 BDADRP CSC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000223779077 357058679 /nfs/dbraw/zinc/05/86/79/357058679.db2.gz VUIWIJJROVPWOP-QJPTWQEYSA-N 2 0 246.420 1.173 20 0 BDADRP C[C@@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)[NH+](C)C ZINC000623403135 357066560 /nfs/dbraw/zinc/06/65/60/357066560.db2.gz LBBYITURGHCWDC-NWDGAFQWSA-N 2 0 227.396 1.399 20 0 BDADRP CC[NH2+]CCN[C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423246900 192650330 /nfs/dbraw/zinc/65/03/30/192650330.db2.gz ZVHMCZSZMKXWGN-GXTWGEPZSA-N 2 0 235.375 1.144 20 0 BDADRP CC[C@H](CCO)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000156812732 538798839 /nfs/dbraw/zinc/79/88/39/538798839.db2.gz NLHMMBXGALZRNF-DGCLKSJQSA-N 2 0 228.380 1.467 20 0 BDADRP CC[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423272074 192664777 /nfs/dbraw/zinc/66/47/77/192664777.db2.gz JQWOEWFHGFNGRR-MJBXVCDLSA-N 3 0 239.407 1.496 20 0 BDADRP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000393690306 357293650 /nfs/dbraw/zinc/29/36/50/357293650.db2.gz DZZCQHHAOHEQOC-QJPTWQEYSA-N 2 0 228.380 1.643 20 0 BDADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1cnccn1 ZINC000423279534 192671681 /nfs/dbraw/zinc/67/16/81/192671681.db2.gz SFHLESRAYJJYEF-TUAOUCFPSA-N 2 0 234.347 1.645 20 0 BDADRP CCC([NH3+])(CC)CN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423294991 192683902 /nfs/dbraw/zinc/68/39/02/192683902.db2.gz WAHANQZLFDRGOY-MNOVXSKESA-N 2 0 213.369 1.234 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)[C@@H](C)CN1 ZINC000414769027 491110210 /nfs/dbraw/zinc/11/02/10/491110210.db2.gz VYZLEZRANQZNAA-FVCCEPFGSA-N 2 0 225.380 1.057 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)C(C)(C)O ZINC000394004613 357315105 /nfs/dbraw/zinc/31/51/05/357315105.db2.gz MLBSEUFLDBWKKT-MXWKQRLJSA-N 2 0 214.353 1.395 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423297366 192685025 /nfs/dbraw/zinc/68/50/25/192685025.db2.gz KAJOYTAACUWRRW-FDYHWXHSSA-N 2 0 238.375 1.519 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1c[nH]nc1C(C)(C)C ZINC000582546342 357332022 /nfs/dbraw/zinc/33/20/22/357332022.db2.gz OEMVQHHIPBVKDS-NXEZZACHSA-N 2 0 238.379 1.923 20 0 BDADRP C[NH2+]CCCc1nc([C@@H]([NH3+])CC(C)C)no1 ZINC000582664214 357357612 /nfs/dbraw/zinc/35/76/12/357357612.db2.gz AJMPGJGMXMBBJB-VIFPVBQESA-N 2 0 226.324 1.268 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000582666815 357358602 /nfs/dbraw/zinc/35/86/02/357358602.db2.gz GTPBSGIKGTTXBW-GHMZBOCLSA-N 2 0 222.332 1.658 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCOC2)CC1(C)C ZINC000623408243 357404690 /nfs/dbraw/zinc/40/46/90/357404690.db2.gz OGXRKNXGAWXMSC-NEPJUHHUSA-N 2 0 226.364 1.628 20 0 BDADRP Cc1cnccc1CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000582857291 357421805 /nfs/dbraw/zinc/42/18/05/357421805.db2.gz ZOZMJAVBSPEBLT-UONOGXRCSA-N 2 0 233.359 1.792 20 0 BDADRP CC(C)[NH2+]CCCN[C@@H](C)c1c[nH+]ccc1N ZINC000583018686 357450049 /nfs/dbraw/zinc/45/00/49/357450049.db2.gz BWZPZMAVROGBMO-NSHDSACASA-N 3 0 236.363 1.533 20 0 BDADRP Cc1cccc(CC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)n1 ZINC000359016916 538848217 /nfs/dbraw/zinc/84/82/17/538848217.db2.gz UHQASYCJYSIFPN-WFASDCNBSA-N 2 0 247.386 1.862 20 0 BDADRP CC[NH+](CC)CCCNCC[NH2+]C(C)(C)C ZINC000230968921 357586101 /nfs/dbraw/zinc/58/61/01/357586101.db2.gz QMKCLFPSASUKQN-UHFFFAOYSA-N 2 0 229.412 1.696 20 0 BDADRP COCCN(C)CC[NH2+][C@@H]1CCC12CCCC2 ZINC000189106790 357615040 /nfs/dbraw/zinc/61/50/40/357615040.db2.gz CPNBSYJJPABJAM-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP COCCCCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000234629717 357820868 /nfs/dbraw/zinc/82/08/68/357820868.db2.gz IQSCVUCLEXGPPR-OLZOCXBDSA-N 2 0 228.380 1.910 20 0 BDADRP CC[C@H]([NH2+]CCCN1CC[NH+](C)CC1)C1CC1 ZINC000086116000 357853575 /nfs/dbraw/zinc/85/35/75/357853575.db2.gz IRGSFZMQJSNRKA-AWEZNQCLSA-N 2 0 239.407 1.402 20 0 BDADRP CC(C)[C@H](CO)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000086121075 357854249 /nfs/dbraw/zinc/85/42/49/357854249.db2.gz IPUGTFRFASLTBW-ZDUSSCGKSA-N 2 0 228.380 1.466 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(C)s1 ZINC000234730229 357826290 /nfs/dbraw/zinc/82/62/90/357826290.db2.gz JXVGXDCOCHORPE-LLVKDONJSA-N 2 0 242.388 1.900 20 0 BDADRP CCC[C@@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623416253 357831911 /nfs/dbraw/zinc/83/19/11/357831911.db2.gz OKIUPOOPGULBGU-TZMCWYRMSA-N 2 0 242.407 2.000 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC1(CO)CCCC1 ZINC000168573397 134226942 /nfs/dbraw/zinc/22/69/42/134226942.db2.gz KUHWQPBHAIGDHY-RYUDHWBXSA-N 2 0 226.364 1.256 20 0 BDADRP CCC1([NH+](C)C)CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000640018199 358080727 /nfs/dbraw/zinc/08/07/27/358080727.db2.gz WGJZQFXMXDUCMF-ZDUSSCGKSA-N 2 0 240.391 1.829 20 0 BDADRP COC[C@@H](C)C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000584575579 358084181 /nfs/dbraw/zinc/08/41/81/358084181.db2.gz IIVHLAJBIIIVMD-STQMWFEESA-N 2 0 228.380 1.590 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000217840671 134250509 /nfs/dbraw/zinc/25/05/09/134250509.db2.gz CVHGVEFHNFIGBR-BFHYXJOUSA-N 2 0 241.423 1.824 20 0 BDADRP CC[NH2+]CCCN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000584714659 358159982 /nfs/dbraw/zinc/15/99/82/358159982.db2.gz XCEHXZVMIWRQDO-RYUDHWBXSA-N 2 0 213.369 1.058 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000223032129 358214011 /nfs/dbraw/zinc/21/40/11/358214011.db2.gz GMCFDSANRSYLCC-VWYCJHECSA-N 2 0 200.326 1.007 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000223032007 358214119 /nfs/dbraw/zinc/21/41/19/358214119.db2.gz GMCFDSANRSYLCC-MXWKQRLJSA-N 2 0 200.326 1.007 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CCCCO2)C1 ZINC000223720611 358230048 /nfs/dbraw/zinc/23/00/48/358230048.db2.gz RDHFROIBRZUQTD-AGIUHOORSA-N 2 0 226.364 1.805 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCSC2)C1 ZINC000040620967 358243263 /nfs/dbraw/zinc/24/32/63/358243263.db2.gz STRXLTKSFOSKMO-NWDGAFQWSA-N 2 0 228.405 1.812 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](CNC2CC[NH+](C)CC2)C1 ZINC000040620889 358243418 /nfs/dbraw/zinc/24/34/18/358243418.db2.gz ZCZYSDZVIFKTOH-CYBMUJFWSA-N 2 0 239.407 1.401 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCCCCO)C1 ZINC000229106694 358344928 /nfs/dbraw/zinc/34/49/28/358344928.db2.gz ROCOLGQTIBMMFJ-GHMZBOCLSA-N 2 0 200.326 1.009 20 0 BDADRP CSCCCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000229207989 358363740 /nfs/dbraw/zinc/36/37/40/358363740.db2.gz DTOILFWZXJCSDX-MNOVXSKESA-N 2 0 216.394 1.989 20 0 BDADRP CC(C)(CCCO)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000227914068 358366713 /nfs/dbraw/zinc/36/67/13/358366713.db2.gz DTQGYDIJPIEVTC-NEPJUHHUSA-N 2 0 228.380 1.645 20 0 BDADRP C[NH2+]CCC(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000043604197 358383409 /nfs/dbraw/zinc/38/34/09/358383409.db2.gz AKFKZHIITGUMDL-UHFFFAOYSA-N 2 0 235.331 1.296 20 0 BDADRP C[NH+]1CCC(CC[NH2+]CC2(O)CCCC2)CC1 ZINC000229939966 358387411 /nfs/dbraw/zinc/38/74/11/358387411.db2.gz RCVYYQYHNVYLBD-UHFFFAOYSA-N 2 0 240.391 1.613 20 0 BDADRP COCC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000045037689 358400149 /nfs/dbraw/zinc/40/01/49/358400149.db2.gz BMVLYLSTWRTXSL-STQMWFEESA-N 2 0 228.380 1.731 20 0 BDADRP COC1CCC([NH2+]CC2CC[NH+](C)CC2)CC1 ZINC000130042126 358605611 /nfs/dbraw/zinc/60/56/11/358605611.db2.gz FVBVRVSOUAMXQT-UHFFFAOYSA-N 2 0 240.391 1.875 20 0 BDADRP C1C[C@H]2C[C@H]([NH2+][C@@H]3CCCOC3)CC[N@@H+]2C1 ZINC000130214757 358615453 /nfs/dbraw/zinc/61/54/53/358615453.db2.gz VPEYVKXRBBRSTR-UPJWGTAASA-N 2 0 224.348 1.382 20 0 BDADRP C(C[NH2+]C[C@H]1CCCOC1)C[NH+]1CCCC1 ZINC000049332569 358683508 /nfs/dbraw/zinc/68/35/08/358683508.db2.gz PHEAQOAJOUZCKM-CYBMUJFWSA-N 2 0 226.364 1.489 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000132247580 358713744 /nfs/dbraw/zinc/71/37/44/358713744.db2.gz NXRFOZHTJZBVFP-QWHCGFSZSA-N 2 0 228.380 1.875 20 0 BDADRP CC[N@@H+]1CCCN(CC[NH+]2CCCCC2)CC1 ZINC000132265155 358714076 /nfs/dbraw/zinc/71/40/76/358714076.db2.gz CRMWKNYSUFOWRB-UHFFFAOYSA-N 2 0 239.407 1.500 20 0 BDADRP C[NH2+][C@@H]1CCN(CCCOc2ccccc2)C1 ZINC000052092355 358772290 /nfs/dbraw/zinc/77/22/90/358772290.db2.gz XMTGOBKLQAXTNE-CYBMUJFWSA-N 2 0 234.343 1.749 20 0 BDADRP CC[NH+]1CCC(N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000086403441 358967384 /nfs/dbraw/zinc/96/73/84/358967384.db2.gz KFHRKPBVUXIHDM-YPMHNXCESA-N 2 0 225.380 1.330 20 0 BDADRP CCC(O)(CC)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000086404616 358968268 /nfs/dbraw/zinc/96/82/68/358968268.db2.gz OBTRJGACECRWAR-QWRGUYRKSA-N 2 0 214.353 1.397 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC2(O)CCCCC2)C1 ZINC000086404633 358968758 /nfs/dbraw/zinc/96/87/58/358968758.db2.gz NDJDUBADYXGHIA-VXGBXAGGSA-N 2 0 226.364 1.541 20 0 BDADRP CCC[NH2+]CCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000423312614 192699122 /nfs/dbraw/zinc/69/91/22/192699122.db2.gz SCQMUXGCRVXXMB-VXGBXAGGSA-N 2 0 213.369 1.236 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CCO1 ZINC000070356998 359051480 /nfs/dbraw/zinc/05/14/80/359051480.db2.gz UVFMYKFGSFMWDN-AGIUHOORSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)[C@H]1CCCO1 ZINC000423321490 192707031 /nfs/dbraw/zinc/70/70/31/192707031.db2.gz GELAOQLSDBMPAU-VXGBXAGGSA-N 2 0 226.364 1.533 20 0 BDADRP Cc1c[nH+]ccc1NC[C@@H]1C[N@@H+](C)CCN1C ZINC000070489699 359057271 /nfs/dbraw/zinc/05/72/71/359057271.db2.gz OSXSRSPJZOTQFX-GFCCVEGCSA-N 2 0 234.347 1.048 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](COC)C(C)C)C1 ZINC000246858819 359171223 /nfs/dbraw/zinc/17/12/23/359171223.db2.gz CWSZBOKVOFBBDZ-ZIAGYGMSSA-N 2 0 242.407 1.979 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1cn[nH]c1 ZINC000423417840 192749471 /nfs/dbraw/zinc/74/94/71/192749471.db2.gz GFHBDBVNLLUEGC-IJLUTSLNSA-N 2 0 236.363 1.825 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2C=C[C@H](CO)C2)CC1(C)C ZINC000623451890 359348319 /nfs/dbraw/zinc/34/83/19/359348319.db2.gz OOWWMAXRLKTPIR-YNEHKIRRSA-N 2 0 238.375 1.386 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423477149 192788418 /nfs/dbraw/zinc/78/84/18/192788418.db2.gz JODIZFSLRXAPGT-MJBXVCDLSA-N 3 0 239.407 1.626 20 0 BDADRP C[C@@H](NC(=O)c1ccc([C@H](C)[NH3+])cc1)[C@H](C)[NH3+] ZINC000574988333 359525472 /nfs/dbraw/zinc/52/54/72/359525472.db2.gz XXQWXZOKFHNGPZ-LPEHRKFASA-N 2 0 235.331 1.172 20 0 BDADRP CN1CCC[C@@H]1C[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000308936028 491140657 /nfs/dbraw/zinc/14/06/57/491140657.db2.gz KVHFHEMONRMPTE-UPJWGTAASA-N 2 0 208.349 1.859 20 0 BDADRP C[NH+](C)Cc1ccc(C(=O)NCCCC[NH3+])cc1 ZINC000580443925 359551434 /nfs/dbraw/zinc/55/14/34/359551434.db2.gz CREWFIMNBWDWLH-UHFFFAOYSA-N 2 0 249.358 1.217 20 0 BDADRP Cc1cc(C[NH2+][C@@H](C)CCC[NH3+])cc(C)n1 ZINC000423559696 192812744 /nfs/dbraw/zinc/81/27/44/192812744.db2.gz UDNMHQLPGRPRMX-JTQLQIEISA-N 2 0 221.348 1.915 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C(=O)NC(C)(C)CC[NH3+])cc1 ZINC000424054026 192857180 /nfs/dbraw/zinc/85/71/80/192857180.db2.gz PSUJQXGZQCCGLT-SNVBAGLBSA-N 2 0 249.358 1.564 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CCOC2)CC1(C)C ZINC000623471311 359857464 /nfs/dbraw/zinc/85/74/64/359857464.db2.gz WTUPVUVOOVQWMB-MNOVXSKESA-N 2 0 212.337 1.238 20 0 BDADRP C[NH2+]CCC1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000087266440 359903965 /nfs/dbraw/zinc/90/39/65/359903965.db2.gz NSKWANJOOQODST-CQSZACIVSA-N 2 0 240.391 1.877 20 0 BDADRP CCOCCC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000087325977 359907462 /nfs/dbraw/zinc/90/74/62/359907462.db2.gz ZWOUXSHTKSSSQM-CQSZACIVSA-N 2 0 240.391 1.877 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@H](COC)C(C)C ZINC000087477259 359913944 /nfs/dbraw/zinc/91/39/44/359913944.db2.gz BBTGFPSHZPGTHU-ZDUSSCGKSA-N 2 0 230.396 1.979 20 0 BDADRP C[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000578549641 366594374 /nfs/dbraw/zinc/59/43/74/366594374.db2.gz UNPJMOQACMBHGW-VOAKCMCISA-N 2 0 226.364 1.804 20 0 BDADRP CC[N@H+](Cc1ccccc1)C[C@](C)(O)C[NH2+]C ZINC000578899385 366670926 /nfs/dbraw/zinc/67/09/26/366670926.db2.gz SZLGGSZSGDRPDD-CQSZACIVSA-N 2 0 236.359 1.479 20 0 BDADRP Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cn1 ZINC000089146300 359992663 /nfs/dbraw/zinc/99/26/63/359992663.db2.gz TXIJEWCBEJHXEV-KBPBESRZSA-N 2 0 233.359 1.997 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000089145876 359992869 /nfs/dbraw/zinc/99/28/69/359992869.db2.gz NMLNSYMOHIXTPH-OUCADQQQSA-N 2 0 237.391 1.330 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CC1(O)CCCCC1 ZINC000089146682 359993085 /nfs/dbraw/zinc/99/30/85/359993085.db2.gz YYEFIKSUSJVZRJ-CHWSQXEVSA-N 2 0 240.391 1.789 20 0 BDADRP COc1ccc(CC[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089147307 359993123 /nfs/dbraw/zinc/99/31/23/359993123.db2.gz DWTKUMFZKIOOQC-HIFRSBDPSA-N 2 0 248.370 1.955 20 0 BDADRP COCCOCCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000089140600 359993199 /nfs/dbraw/zinc/99/31/99/359993199.db2.gz UDIOZNVQLZJIDW-QWHCGFSZSA-N 2 0 244.379 1.147 20 0 BDADRP CN(Cc1ccn(C)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253580 360159102 /nfs/dbraw/zinc/15/91/02/360159102.db2.gz OYCRWAFDYDHCKA-CYBMUJFWSA-N 2 0 235.375 1.799 20 0 BDADRP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]CCCn1ccnc1 ZINC000093462945 360245595 /nfs/dbraw/zinc/24/55/95/360245595.db2.gz QUUWFZNILAUGIS-QWHCGFSZSA-N 2 0 236.363 1.393 20 0 BDADRP CC(C)CNC(=O)[C@@H](C)N(C)CC(C)(C)C[NH3+] ZINC000093874141 360286072 /nfs/dbraw/zinc/28/60/72/360286072.db2.gz AQFRLKLRGLBTIB-LLVKDONJSA-N 2 0 243.395 1.064 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000631199384 360764628 /nfs/dbraw/zinc/76/46/28/360764628.db2.gz PUZFNLWDLAMSAG-OLZOCXBDSA-N 2 0 242.407 2.000 20 0 BDADRP c1cc(CCC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cs1 ZINC000309562457 491151689 /nfs/dbraw/zinc/15/16/89/491151689.db2.gz PFYXQCYYPLJURB-CHWSQXEVSA-N 2 0 236.384 1.832 20 0 BDADRP C[C@H]1CCCN(CC[NH2+]C(C)(C)C)[C@H]1C[NH3+] ZINC000414665184 200756939 /nfs/dbraw/zinc/75/69/39/200756939.db2.gz USASTVRFVOEELR-RYUDHWBXSA-N 2 0 227.396 1.434 20 0 BDADRP CCCC[C@@H](C[NH3+])NC[C@H]([NH3+])CC(C)C ZINC000414815351 200767944 /nfs/dbraw/zinc/76/79/44/200767944.db2.gz PESPPQIJSKQEQF-NEPJUHHUSA-N 2 0 215.385 1.467 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+][C@H](C)CCCC[NH3+] ZINC000415011684 200790862 /nfs/dbraw/zinc/79/08/62/200790862.db2.gz HUZMQFIRQDZCED-NEPJUHHUSA-N 3 0 215.385 1.467 20 0 BDADRP Cc1c(C[NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)cnn1C ZINC000415099662 200793627 /nfs/dbraw/zinc/79/36/27/200793627.db2.gz GXUFGXHQKZAUEH-CMPLNLGQSA-N 2 0 236.363 1.206 20 0 BDADRP COC1(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CCCC1 ZINC000309637900 491153365 /nfs/dbraw/zinc/15/33/65/491153365.db2.gz JXEZGKXPLVODAA-VXGBXAGGSA-N 2 0 224.348 1.097 20 0 BDADRP C[C@@H](CC1CCOCC1)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629408129 361056405 /nfs/dbraw/zinc/05/64/05/361056405.db2.gz QMICPQXGFWOAMU-GMXVVIOVSA-N 2 0 226.364 1.532 20 0 BDADRP Cc1ccccc1C[NH2+]CC1([NH3+])CCOCC1 ZINC000629387560 361038740 /nfs/dbraw/zinc/03/87/40/361038740.db2.gz JBSIPBMDINPZFB-UHFFFAOYSA-N 2 0 234.343 1.593 20 0 BDADRP C[C@@H]1CCC[C@H]([NH2+]CC2([NH3+])CCOCC2)[C@@H]1C ZINC000629387835 361039840 /nfs/dbraw/zinc/03/98/40/361039840.db2.gz LFFOJKQSXQAVLT-UPJWGTAASA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H]1CCC[C@@H]([NH2+]CC2([NH3+])CCOCC2)[C@@H]1C ZINC000629387834 361040286 /nfs/dbraw/zinc/04/02/86/361040286.db2.gz LFFOJKQSXQAVLT-JHJVBQTASA-N 2 0 240.391 1.909 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H]1CCC[C@H]1C ZINC000629391951 361041192 /nfs/dbraw/zinc/04/11/92/361041192.db2.gz FXHLCWOWISXFIO-MNOVXSKESA-N 2 0 200.326 1.001 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@H]1C ZINC000629391950 361041251 /nfs/dbraw/zinc/04/12/51/361041251.db2.gz FXHLCWOWISXFIO-GHMZBOCLSA-N 2 0 200.326 1.001 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H](C)CCc1ccco1 ZINC000629391612 361045843 /nfs/dbraw/zinc/04/58/43/361045843.db2.gz BPKANSAGBIHTGQ-GFCCVEGCSA-N 2 0 240.347 1.426 20 0 BDADRP Cc1ccc(C)c(C[NH2+]CCOCCC[NH3+])c1 ZINC000629397971 361048036 /nfs/dbraw/zinc/04/80/36/361048036.db2.gz HWUPTVQPPKCQCB-UHFFFAOYSA-N 2 0 236.359 1.758 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000629402775 361052983 /nfs/dbraw/zinc/05/29/83/361052983.db2.gz FEGHEDCSLVFKHP-QWHCGFSZSA-N 2 0 244.379 1.016 20 0 BDADRP CC[NH2+][C@H](C)CNC1CC[NH+](C(C)(C)C)CC1 ZINC000414934100 219884357 /nfs/dbraw/zinc/88/43/57/219884357.db2.gz AEWPEKGXHNXPAG-GFCCVEGCSA-N 2 0 241.423 1.837 20 0 BDADRP CCCn1cc(CN[C@H]2CC[C@H](C)[NH2+]C2)cn1 ZINC000629418404 361063299 /nfs/dbraw/zinc/06/32/99/361063299.db2.gz XWNLPZYEXOCKQT-AAEUAGOBSA-N 2 0 236.363 1.523 20 0 BDADRP CCO[C@H](CN1CCC[NH2+]CC1)C1CC1 ZINC000629508891 361102209 /nfs/dbraw/zinc/10/22/09/361102209.db2.gz FLZUBAYKULUVIS-GFCCVEGCSA-N 2 0 212.337 1.097 20 0 BDADRP CCO[C@H](C[N@@H+]1CCC[C@H](C[NH2+]C)C1)C1CC1 ZINC000629507243 361106271 /nfs/dbraw/zinc/10/62/71/361106271.db2.gz AVAOPDNTQNQSGO-TZMCWYRMSA-N 2 0 240.391 1.733 20 0 BDADRP CCO[C@@H](C[NH+]1CCC(C[NH2+]C)CC1)C1CC1 ZINC000629510520 361108604 /nfs/dbraw/zinc/10/86/04/361108604.db2.gz GVFYICSNCBQDKY-AWEZNQCLSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CCCN(Cc2cccnc2N)C1 ZINC000629510431 361108920 /nfs/dbraw/zinc/10/89/20/361108920.db2.gz UEUMJKRISWOYFG-GHMZBOCLSA-N 2 0 234.347 1.223 20 0 BDADRP CN(CCC[NH3+])Cc1cc(O)ccc1Cl ZINC000629515965 361109731 /nfs/dbraw/zinc/10/97/31/361109731.db2.gz XDHRUAXGRRACKQ-UHFFFAOYSA-N 2 0 228.723 1.826 20 0 BDADRP Cc1cccc2c1C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)CO2 ZINC000629513909 361111425 /nfs/dbraw/zinc/11/14/25/361111425.db2.gz JBPCGGZYJDFMLD-DGCLKSJQSA-N 2 0 246.354 1.496 20 0 BDADRP CCO[C@@H](C[NH+]1CCC([C@@H](C)[NH3+])CC1)C1CC1 ZINC000629514370 361111699 /nfs/dbraw/zinc/11/16/99/361111699.db2.gz XWLDLIAMZUDUNI-RISCZKNCSA-N 2 0 240.391 1.861 20 0 BDADRP CC[C@@H]1CN(Cc2cccnc2N)CC[C@@H]1[NH3+] ZINC000629527742 361134300 /nfs/dbraw/zinc/13/43/00/361134300.db2.gz DMIOGUYHPYTSIX-PWSUYJOCSA-N 2 0 234.347 1.223 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CCCCC[C@@H]1[NH3+] ZINC000629527908 361135009 /nfs/dbraw/zinc/13/50/09/361135009.db2.gz JAFFFARJWVAKQV-ZDEQEGDKSA-N 2 0 225.380 1.377 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H](C)CCC=C(C)C ZINC000629528754 361138751 /nfs/dbraw/zinc/13/87/51/361138751.db2.gz ILLBAXRDABDWCH-CYBMUJFWSA-N 2 0 228.380 1.947 20 0 BDADRP CC[C@H]1CC[C@@H]1[NH2+]CCOCC[NH2+]C ZINC000629530554 361144452 /nfs/dbraw/zinc/14/44/52/361144452.db2.gz JTAOZYJSVJXOJT-QWRGUYRKSA-N 2 0 200.326 1.001 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H](C)c1csc(C)c1 ZINC000629530509 361144492 /nfs/dbraw/zinc/14/44/92/361144492.db2.gz IPNAQCALFYMHCA-LLVKDONJSA-N 2 0 242.388 1.943 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000629530971 361145909 /nfs/dbraw/zinc/14/59/09/361145909.db2.gz WHHZGGXIWXGTFP-NWDGAFQWSA-N 2 0 228.380 1.637 20 0 BDADRP [NH3+][C@@H]1CCCN(C2CCC3(CC2)OCCO3)C1 ZINC000041027793 361147690 /nfs/dbraw/zinc/14/76/90/361147690.db2.gz PYXJBXWJMVXNCO-LLVKDONJSA-N 2 0 240.347 1.095 20 0 BDADRP CC[C@H]([NH2+]CC1([NH3+])CCOCC1)[C@H]1C[C@@H]1C ZINC000629522290 361122706 /nfs/dbraw/zinc/12/27/06/361122706.db2.gz ZGLALCHDFXXKLR-SRVKXCTJSA-N 2 0 226.364 1.519 20 0 BDADRP CC1(C)C[N@H+](C[C@H]2CCC[NH2+]C2)CCS1 ZINC000158592275 361205515 /nfs/dbraw/zinc/20/55/15/361205515.db2.gz RPAOUPHJIWVZEA-NSHDSACASA-N 2 0 228.405 1.813 20 0 BDADRP CC(C)COCC[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000158911575 361214607 /nfs/dbraw/zinc/21/46/07/361214607.db2.gz GUAFHDFOOHVJFA-RYUDHWBXSA-N 2 0 214.353 1.328 20 0 BDADRP CC(C)COCC[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000158911438 361215486 /nfs/dbraw/zinc/21/54/86/361215486.db2.gz GUAFHDFOOHVJFA-NEPJUHHUSA-N 2 0 214.353 1.328 20 0 BDADRP CC(C)(C[NH2+]CC1(O)CCC1)C[NH+]1CCCC1 ZINC000579228182 366738206 /nfs/dbraw/zinc/73/82/06/366738206.db2.gz CEFQVTXGFWJIHD-UHFFFAOYSA-N 2 0 240.391 1.613 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CC2(F)F)C1 ZINC000622043414 370674177 /nfs/dbraw/zinc/67/41/77/370674177.db2.gz AHLAWZJKVZRAOI-IVZWLZJFSA-N 2 0 218.291 1.891 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC[C@H]2CC2(F)F)C1 ZINC000622043412 370674226 /nfs/dbraw/zinc/67/42/26/370674226.db2.gz AHLAWZJKVZRAOI-AEJSXWLSSA-N 2 0 218.291 1.891 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CC1(F)F ZINC000622044077 370675296 /nfs/dbraw/zinc/67/52/96/370675296.db2.gz UIFJDDFKJMTOGK-AEJSXWLSSA-N 2 0 218.291 1.749 20 0 BDADRP Cc1nn(C)cc1[C@@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC000622045643 370679984 /nfs/dbraw/zinc/67/99/84/370679984.db2.gz IZNPRIOHQAHXSX-DTWKUNHWSA-N 2 0 210.325 1.116 20 0 BDADRP CCC1(CC)[C@@H]([NH2+]CC[C@H](C)[NH3+])C[C@@H]1OC ZINC000622045463 370680159 /nfs/dbraw/zinc/68/01/59/370680159.db2.gz WJXBWLIMSBZZRW-SRVKXCTJSA-N 2 0 228.380 1.907 20 0 BDADRP C[C@@H](Cc1ccc(F)cc1)[NH2+]CCC[NH3+] ZINC000162420906 361351389 /nfs/dbraw/zinc/35/13/89/361351389.db2.gz TXWBRNMYQJXDTE-JTQLQIEISA-N 2 0 210.296 1.695 20 0 BDADRP CCCCOCC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429022528 201061155 /nfs/dbraw/zinc/06/11/55/201061155.db2.gz BVSMMQPPXNMJPJ-AWEZNQCLSA-N 2 0 240.391 1.831 20 0 BDADRP [NH3+]C1(C(=O)NCC2([NH3+])CCCCCC2)CCC1 ZINC000336229136 181331351 /nfs/dbraw/zinc/33/13/51/181331351.db2.gz XXYATUMHVAULEQ-UHFFFAOYSA-N 2 0 239.363 1.036 20 0 BDADRP CCC[C@@H](C)CCC[N@H+](C)C[C@H](O)C[NH3+] ZINC000629539182 361404725 /nfs/dbraw/zinc/40/47/25/361404725.db2.gz VPESFBSPBNNEGB-VXGBXAGGSA-N 2 0 216.369 1.454 20 0 BDADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccco1 ZINC000629536072 361398886 /nfs/dbraw/zinc/39/88/86/361398886.db2.gz DQFAPXRTVOMUOO-SNVBAGLBSA-N 2 0 212.293 1.296 20 0 BDADRP [NH3+]CCCOCC[NH2+]C(C1CCC1)C1CCC1 ZINC000629536612 361399421 /nfs/dbraw/zinc/39/94/21/361399421.db2.gz GRKBKJICSKZVIG-UHFFFAOYSA-N 2 0 240.391 1.910 20 0 BDADRP CC(C)[C@H]([NH2+]CCOCCC[NH3+])C1CC1 ZINC000629536970 361399873 /nfs/dbraw/zinc/39/98/73/361399873.db2.gz IBCIGZXZOJYCCO-LBPRGKRZSA-N 2 0 214.353 1.376 20 0 BDADRP CC(C)[C@@H]([NH2+]CCOCCC[NH3+])C1CC1 ZINC000629536969 361399988 /nfs/dbraw/zinc/39/99/88/361399988.db2.gz IBCIGZXZOJYCCO-GFCCVEGCSA-N 2 0 214.353 1.376 20 0 BDADRP CCC[C@@H](C)[C@H](CO)[NH2+]C1CCN(CC)CC1 ZINC000579363970 366771693 /nfs/dbraw/zinc/77/16/93/366771693.db2.gz NNTHQUISDPFTPX-OCCSQVGLSA-N 2 0 242.407 1.857 20 0 BDADRP CC[C@@H]1CC[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629535493 361410453 /nfs/dbraw/zinc/41/04/53/361410453.db2.gz CLAACAPZBBQVAY-GHMZBOCLSA-N 2 0 200.326 1.130 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)cc1 ZINC000429570590 201117089 /nfs/dbraw/zinc/11/70/89/201117089.db2.gz BHLORHTWHUYLKR-DLOVCJGASA-N 2 0 247.342 1.772 20 0 BDADRP CC[C@H]1CCC[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629535885 361411847 /nfs/dbraw/zinc/41/18/47/361411847.db2.gz FLFPKRHPBCRUSN-NWDGAFQWSA-N 2 0 214.353 1.520 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)C1(C[NH3+])CCCC1 ZINC000429619471 201122471 /nfs/dbraw/zinc/12/24/71/201122471.db2.gz HMGUPAPFSYTWEE-NSHDSACASA-N 2 0 241.379 1.139 20 0 BDADRP Cc1cc([C@@H](C)[NH2+]CCOCCC[NH3+])c(C)o1 ZINC000629534615 361407356 /nfs/dbraw/zinc/40/73/56/361407356.db2.gz BAAACMQAFUNPQF-LLVKDONJSA-N 2 0 240.347 1.912 20 0 BDADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccc(F)cn1 ZINC000629539589 361407417 /nfs/dbraw/zinc/40/74/17/361407417.db2.gz QIAJMERDHSXMAF-SNVBAGLBSA-N 2 0 241.310 1.237 20 0 BDADRP [NH3+]CCCOCC[NH2+][C@H]1CCC12CCC2 ZINC000629535758 361410047 /nfs/dbraw/zinc/41/00/47/361410047.db2.gz DFOPVBIGNOCZAN-NSHDSACASA-N 2 0 212.337 1.274 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc[nH]c1=O ZINC000629546799 361429026 /nfs/dbraw/zinc/42/90/26/361429026.db2.gz PWUZVQIWDKUCSX-CMPLNLGQSA-N 2 0 235.331 1.265 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629547117 361430951 /nfs/dbraw/zinc/43/09/51/361430951.db2.gz RPPKCBOJNDQKED-RVMXOQNASA-N 2 0 226.364 1.532 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)C1CCOCC1 ZINC000629548991 361435306 /nfs/dbraw/zinc/43/53/06/361435306.db2.gz TXHMITURNDSSDU-JFGNBEQYSA-N 2 0 212.337 1.142 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000629553626 361438935 /nfs/dbraw/zinc/43/89/35/361438935.db2.gz BULVSWBRPDLIMS-NNYUYHANSA-N 2 0 212.337 1.128 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCCC12CC2)C1C[NH2+]C1 ZINC000629554415 361440027 /nfs/dbraw/zinc/44/00/27/361440027.db2.gz IENGDTLYYZPPGT-ZYHUDNBSSA-N 2 0 208.349 1.764 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)C[C@H](C)CC(C)C ZINC000629572475 361463733 /nfs/dbraw/zinc/46/37/33/361463733.db2.gz ULKYGXYFPTWWCH-CYBMUJFWSA-N 2 0 230.396 1.836 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)CCC1CCCC1 ZINC000629571879 361463768 /nfs/dbraw/zinc/46/37/68/361463768.db2.gz RYGLZGLEOUDENN-UHFFFAOYSA-N 2 0 228.380 1.735 20 0 BDADRP O[C@@H](C[NH2+]CC[C@@H]1CC1(F)F)C[NH+]1CCCC1 ZINC000629595807 361483399 /nfs/dbraw/zinc/48/33/99/361483399.db2.gz QQVRQQDBVRKWST-MNOVXSKESA-N 2 0 248.317 1.078 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)[C@H](C)c1ccccc1 ZINC000629565816 361457005 /nfs/dbraw/zinc/45/70/05/361457005.db2.gz HMTMNNPQNMYBKF-CYBMUJFWSA-N 2 0 236.359 1.915 20 0 BDADRP CC[C@@H](C(=O)Nc1ccc([C@@H](C)[NH3+])cc1)[NH+](C)C ZINC000629611693 361501494 /nfs/dbraw/zinc/50/14/94/361501494.db2.gz AHYHCULWSDVQLS-MFKMUULPSA-N 2 0 249.358 1.985 20 0 BDADRP C[N@H+](CCC[NH3+])CC1=Cc2ccccc2OC1 ZINC000629651980 361558038 /nfs/dbraw/zinc/55/80/38/361558038.db2.gz RMVRJYNAFNMVKO-UHFFFAOYSA-N 2 0 232.327 1.743 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1NCC[NH2+]C(C)(C)C ZINC000629654953 361559012 /nfs/dbraw/zinc/55/90/12/361559012.db2.gz UQHOUVSANHRSML-WDEREUQCSA-N 2 0 213.369 1.105 20 0 BDADRP CC(C)(C)CC[NH2+]CC1([NH3+])CCOCC1 ZINC000629654736 361559195 /nfs/dbraw/zinc/55/91/95/361559195.db2.gz QBCUSXQFOBZDMD-UHFFFAOYSA-N 2 0 214.353 1.520 20 0 BDADRP C[NH2+]CCC1CC[NH+](Cc2ccn(C)c2)CC1 ZINC000629647564 361537730 /nfs/dbraw/zinc/53/77/30/361537730.db2.gz ZSBXNXSYNZJVBE-UHFFFAOYSA-N 2 0 235.375 1.847 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccn(C)c2)C1 ZINC000629647552 361538054 /nfs/dbraw/zinc/53/80/54/361538054.db2.gz ZEPWVRTZKWQOJP-PWSUYJOCSA-N 2 0 207.321 1.194 20 0 BDADRP COC1(C[NH2+]CC[C@H]2CC[NH2+]C2)CCCC1 ZINC000629648127 361538862 /nfs/dbraw/zinc/53/88/62/361538862.db2.gz PDFQEVNRMIITOA-GFCCVEGCSA-N 2 0 226.364 1.535 20 0 BDADRP Cc1cnccc1CN[C@@H](C[NH3+])C1CCCC1 ZINC000629647868 361538991 /nfs/dbraw/zinc/53/89/91/361538991.db2.gz CLRJOWFUGDYPSK-AWEZNQCLSA-N 2 0 233.359 1.997 20 0 BDADRP COC1(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)CCCC1 ZINC000629648915 361542245 /nfs/dbraw/zinc/54/22/45/361542245.db2.gz CLAHFGKZZZGHFJ-NWDGAFQWSA-N 2 0 226.364 1.663 20 0 BDADRP CC[C@H]([NH3+])C[NH2+]CC1(OC)CCCC1 ZINC000629648919 361542462 /nfs/dbraw/zinc/54/24/62/361542462.db2.gz CPPGNCIOHCFBCY-JTQLQIEISA-N 2 0 200.326 1.273 20 0 BDADRP [NH3+]C[C@H]1CC[C@H]([NH2+]CC2=CCCOC2)C1 ZINC000629649072 361543375 /nfs/dbraw/zinc/54/33/75/361543375.db2.gz HAOSLXIGHRJLAQ-JQWIXIFHSA-N 2 0 210.321 1.050 20 0 BDADRP Cn1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c1 ZINC000629648926 361543592 /nfs/dbraw/zinc/54/35/92/361543592.db2.gz CWDPILAWRDYIOI-GFCCVEGCSA-N 2 0 219.332 1.257 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]Cc2ccn(C)c2)CC[NH2+]1 ZINC000629649320 361544483 /nfs/dbraw/zinc/54/44/83/361544483.db2.gz PPCFLIIINHMAAN-ZYHUDNBSSA-N 2 0 207.321 1.255 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccn(C)c1 ZINC000629649708 361546506 /nfs/dbraw/zinc/54/65/06/361546506.db2.gz ZZAFQSZVPFAVBL-ZYHUDNBSSA-N 2 0 207.321 1.113 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)Cc1ccsc1 ZINC000629652548 361551155 /nfs/dbraw/zinc/55/11/55/361551155.db2.gz GWIGYXPHKLKRJS-UHFFFAOYSA-N 2 0 228.361 1.416 20 0 BDADRP C[C@@H](C[NH2+]CC1([NH3+])CCOCC1)c1ccccc1 ZINC000629652987 361551201 /nfs/dbraw/zinc/55/12/01/361551201.db2.gz CYPOZABUBODHKM-ZDUSSCGKSA-N 2 0 248.370 1.888 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](CC2=CCCOC2)C1 ZINC000629652855 361551724 /nfs/dbraw/zinc/55/17/24/361551724.db2.gz DWOKJBXAWFPNSM-GFCCVEGCSA-N 2 0 210.321 1.004 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]CC(C)(C)COC ZINC000629654355 361553288 /nfs/dbraw/zinc/55/32/88/361553288.db2.gz PRVBBXGOHQFFAU-WDEREUQCSA-N 2 0 214.353 1.389 20 0 BDADRP C[C@@]1(C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)CC[NH2+]C1 ZINC000629661856 361594685 /nfs/dbraw/zinc/59/46/85/361594685.db2.gz CYIKFPXLPXGARP-BFHYXJOUSA-N 2 0 238.375 1.080 20 0 BDADRP CC[C@H](C)[C@@H](C)[NH2+]CCC[N@H+](C)CCOC ZINC000153730651 201247969 /nfs/dbraw/zinc/24/79/69/201247969.db2.gz HPJDMHYVFBPBOM-QWHCGFSZSA-N 2 0 230.396 1.979 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@H](C)C(C)(C)C ZINC000153778772 201250381 /nfs/dbraw/zinc/25/03/81/201250381.db2.gz QJEGBZODRWWAPN-GFCCVEGCSA-N 2 0 230.396 1.979 20 0 BDADRP CCN(C[C@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]CC1 ZINC000435395512 201267608 /nfs/dbraw/zinc/26/76/08/201267608.db2.gz TUTIHUOZBYKCQA-KBPBESRZSA-N 2 0 239.407 1.450 20 0 BDADRP [NH3+]C1CCC([NH2+][C@H]2CCN3CCCC[C@H]23)CC1 ZINC000250832570 181342206 /nfs/dbraw/zinc/34/22/06/181342206.db2.gz JQGWLUJHJUMXGQ-CLRIEMFWSA-N 2 0 237.391 1.473 20 0 BDADRP c1cc(C2=CC[NH2+]CC2)cc([C@H]2COCC[NH2+]2)c1 ZINC000629723598 361665622 /nfs/dbraw/zinc/66/56/22/361665622.db2.gz QCSNAHPSJFQPED-OAHLLOKOSA-N 2 0 244.338 1.724 20 0 BDADRP C[C@H]([NH3+])Cc1cccc(C2=CC[NH2+]CC2)c1 ZINC000629724099 361665896 /nfs/dbraw/zinc/66/58/96/361665896.db2.gz WHFCFHCNJDESDC-NSHDSACASA-N 2 0 216.328 1.953 20 0 BDADRP C[C@@H]1C[C@H](NC[C@@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000154518166 201282113 /nfs/dbraw/zinc/28/21/13/201282113.db2.gz AJSCCWPJWGCKSV-UPJWGTAASA-N 2 0 225.380 1.153 20 0 BDADRP [NH3+]C1CCC([NH2+][C@@H](CO)CC2CCC2)CC1 ZINC000332455882 181342337 /nfs/dbraw/zinc/34/23/37/181342337.db2.gz HJVDSXLEAYWCCR-WXRRBKDZSA-N 2 0 226.364 1.397 20 0 BDADRP C[NH2+]CCCN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000435884769 201295956 /nfs/dbraw/zinc/29/59/56/201295956.db2.gz WSZGLYHUIPBLDX-AWEZNQCLSA-N 2 0 239.407 1.546 20 0 BDADRP C[NH2+]CCC[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000435884476 201296226 /nfs/dbraw/zinc/29/62/26/201296226.db2.gz SUNAWMBFEHGZCO-AWEZNQCLSA-N 2 0 233.359 1.782 20 0 BDADRP [NH3+]C1CCC([NH2+][C@H]2CCCSC2)CC1 ZINC000061589528 181342877 /nfs/dbraw/zinc/34/28/77/181342877.db2.gz RVGOHYXAIMQABV-ILDUYXDCSA-N 2 0 214.378 1.742 20 0 BDADRP CC[N@@H+]1CC[C@H](N(C)CCC[NH2+]C)[C@H](C)C1 ZINC000435881904 201294379 /nfs/dbraw/zinc/29/43/79/201294379.db2.gz WNMPXXJPTYCTDH-OLZOCXBDSA-N 2 0 227.396 1.258 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCCOCC1)C1CC[NH+](C)CC1 ZINC000310493562 491161729 /nfs/dbraw/zinc/16/17/29/491161729.db2.gz PCZRRGQMMPUGES-TZMCWYRMSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1OCC[C@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000133960598 364380642 /nfs/dbraw/zinc/38/06/42/364380642.db2.gz WOHQUHBXFDHEBR-NWDGAFQWSA-N 2 0 212.337 1.239 20 0 BDADRP Cc1ccccc1C[C@H](C)[NH2+]CCC[NH3+] ZINC000135294137 364433468 /nfs/dbraw/zinc/43/34/68/364433468.db2.gz LNXDNADZWBTADD-LBPRGKRZSA-N 2 0 206.333 1.864 20 0 BDADRP [NH3+]CC1CC[NH+](CCOCC(F)(F)F)CC1 ZINC000049311262 181365150 /nfs/dbraw/zinc/36/51/50/181365150.db2.gz CBGZCKMQLWHKFW-UHFFFAOYSA-N 2 0 240.269 1.236 20 0 BDADRP [NH3+]CC1CC[NH+](CCOc2ccccc2)CC1 ZINC000011889097 181365786 /nfs/dbraw/zinc/36/57/86/181365786.db2.gz PJIYSMDVTRNZQG-UHFFFAOYSA-N 2 0 234.343 1.736 20 0 BDADRP CC[C@@H](COC)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453416368 202769111 /nfs/dbraw/zinc/76/91/11/202769111.db2.gz XKJRVIGGYGWBML-LBPRGKRZSA-N 2 0 228.380 1.875 20 0 BDADRP [NH3+]CCC1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000042427720 181371129 /nfs/dbraw/zinc/37/11/29/181371129.db2.gz IJMGBYZLNKHXDQ-ZDUSSCGKSA-N 2 0 226.364 1.616 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+][C@H]2CC[C@H](CO)CC2)C1 ZINC000573624033 364878427 /nfs/dbraw/zinc/87/84/27/364878427.db2.gz HUNOTZJMADKSIZ-ZDEQEGDKSA-N 2 0 226.364 1.397 20 0 BDADRP [NH3+]CCC[N@H+](CC1CCCC1)C[C@H]1CCOC1 ZINC000352494864 181379343 /nfs/dbraw/zinc/37/93/43/181379343.db2.gz GINFMPPKQVZSPZ-CQSZACIVSA-N 2 0 240.391 1.864 20 0 BDADRP CC[NH2+]CCCN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000574069897 364981406 /nfs/dbraw/zinc/98/14/06/364981406.db2.gz AZGBVNOVXQKRQN-KGLIPLIRSA-N 2 0 241.423 1.886 20 0 BDADRP CC1=CCN(CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000574339289 365041108 /nfs/dbraw/zinc/04/11/08/365041108.db2.gz OWCNBUKDWVTJKC-UONOGXRCSA-N 2 0 237.391 1.498 20 0 BDADRP [NH3+]CCC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000336663688 181383462 /nfs/dbraw/zinc/38/34/62/181383462.db2.gz KXRKHJJXKZXGPO-LBPRGKRZSA-N 2 0 208.280 1.751 20 0 BDADRP [NH3+]CCC[NH2+]Cc1ccc(Br)cc1 ZINC000037713069 181383499 /nfs/dbraw/zinc/38/34/99/181383499.db2.gz HMBCWGBXTKKVKZ-UHFFFAOYSA-N 2 0 243.148 1.888 20 0 BDADRP NCC[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000134104117 181396083 /nfs/dbraw/zinc/39/60/83/181396083.db2.gz WILNUTZAZLDUQX-NSHDSACASA-N 2 0 210.708 1.356 20 0 BDADRP C[C@@H]1CC[N@H+](CCOCC[NH3+])[C@H]2CCCC[C@@H]12 ZINC000574811306 365145537 /nfs/dbraw/zinc/14/55/37/365145537.db2.gz GXXSCERLXBWQHL-RDBSUJKOSA-N 2 0 240.391 1.862 20 0 BDADRP CC[C@@H]1C[N@H+](C)CCN1CC[C@@H]1CCC[NH+]1C ZINC000574807133 365147378 /nfs/dbraw/zinc/14/73/78/365147378.db2.gz PMAJDCLDVZDZIC-KGLIPLIRSA-N 2 0 239.407 1.497 20 0 BDADRP C[C@@H]1CC[N@H+](CCOCC[NH3+])[C@@H]2CCCC[C@@H]12 ZINC000574811296 365149214 /nfs/dbraw/zinc/14/92/14/365149214.db2.gz GXXSCERLXBWQHL-HZSPNIEDSA-N 2 0 240.391 1.862 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000575935452 365421696 /nfs/dbraw/zinc/42/16/96/365421696.db2.gz UBRZNAFSSVLFIU-ZIAGYGMSSA-N 3 0 233.359 1.505 20 0 BDADRP Cc1n[nH]cc1CNC1CC[NH+](CC2CC2)CC1 ZINC000575854861 365385442 /nfs/dbraw/zinc/38/54/42/365385442.db2.gz PIGYEJMZZINQBM-UHFFFAOYSA-N 2 0 248.374 1.682 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)C1 ZINC000575882028 365404828 /nfs/dbraw/zinc/40/48/28/365404828.db2.gz GJWVMTQVHASRCB-MBJXGIAVSA-N 2 0 238.375 1.804 20 0 BDADRP COC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCCO1 ZINC000576052483 365466458 /nfs/dbraw/zinc/46/64/58/365466458.db2.gz MDOXNXJTVIXZCC-NDBYEHHHSA-N 2 0 242.363 1.040 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000576002987 365445028 /nfs/dbraw/zinc/44/50/28/365445028.db2.gz IHTONSIYTFQQKK-ZNSHCXBVSA-N 2 0 200.326 1.269 20 0 BDADRP CCSCCN(CC[NH+](C)C)CC[NH+](C)C ZINC000576021046 365451979 /nfs/dbraw/zinc/45/19/79/365451979.db2.gz OFAKYBZAZFAAAS-UHFFFAOYSA-N 2 0 247.452 1.165 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)CCCC[NH3+])cc1 ZINC000576108944 365489971 /nfs/dbraw/zinc/48/99/71/365489971.db2.gz GXLOJRCEVUOOQT-UHFFFAOYSA-N 2 0 235.331 1.474 20 0 BDADRP CC1(C)CCC[NH2+][C@@H]1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000579731497 366996918 /nfs/dbraw/zinc/99/69/18/366996918.db2.gz LKEWAPXZGCPXNZ-YNEHKIRRSA-N 2 0 239.407 1.624 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000580903463 367203414 /nfs/dbraw/zinc/20/34/14/367203414.db2.gz TWKHWTWNZSTCOA-RNJOBUHISA-N 3 0 225.380 1.363 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccoc1 ZINC000581005868 367230935 /nfs/dbraw/zinc/23/09/35/367230935.db2.gz XBAPBICXJUNRIM-JTQLQIEISA-N 2 0 208.305 1.930 20 0 BDADRP C[C@@H]1OCC[N@H+](CC[C@@H]2CCC[NH2+]C2)[C@H]1C ZINC000380534395 367231649 /nfs/dbraw/zinc/23/16/49/367231649.db2.gz MXDOHBTWURBMOE-AVGNSLFASA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(O)cc(F)c1 ZINC000581011674 367234212 /nfs/dbraw/zinc/23/42/12/367234212.db2.gz NUQRMEDKSQTDDI-BDAKNGLRSA-N 2 0 226.295 1.747 20 0 BDADRP CC[C@@H]1CCCC[N@@H+]1C[C@H](O)CN(C)CC ZINC000381090975 367350238 /nfs/dbraw/zinc/35/02/38/367350238.db2.gz VCWPMAWRHJOMDV-CHWSQXEVSA-N 2 0 228.380 1.564 20 0 BDADRP C[NH2+]Cc1ccccc1NC(=O)[C@H](C)[NH2+]C1CC1 ZINC000581370378 367402014 /nfs/dbraw/zinc/40/20/14/367402014.db2.gz SNBDEPJCUFBJAT-JTQLQIEISA-N 2 0 247.342 1.485 20 0 BDADRP C[NH2+]C1CC[NH+](C[C@H]2CCCC[C@@H]2O)CC1 ZINC000382077348 367484075 /nfs/dbraw/zinc/48/40/75/367484075.db2.gz UUUVECATBBWQJY-YPMHNXCESA-N 2 0 226.364 1.221 20 0 BDADRP C(C[NH2+]CC[C@H]1CCOC1)C[NH2+]C1CC1 ZINC000382562318 367539981 /nfs/dbraw/zinc/53/99/81/367539981.db2.gz WZKAWHNZTPOFFO-NSHDSACASA-N 2 0 212.337 1.145 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1NCC1([NH+](C)C)CCC1 ZINC000382842649 367564052 /nfs/dbraw/zinc/56/40/52/367564052.db2.gz WUNCLMALACLXMJ-QWHCGFSZSA-N 2 0 239.407 1.401 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@H](F)C1 ZINC000581608539 367631974 /nfs/dbraw/zinc/63/19/74/367631974.db2.gz TWXIBQOEABUBCI-MMWGEVLESA-N 2 0 200.301 1.737 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC000581608538 367632099 /nfs/dbraw/zinc/63/20/99/367632099.db2.gz TWXIBQOEABUBCI-DBIOUOCHSA-N 2 0 200.301 1.737 20 0 BDADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@H](C)CC1 ZINC000581613088 367634554 /nfs/dbraw/zinc/63/45/54/367634554.db2.gz QZUZEFKHISEELV-RYUDHWBXSA-N 2 0 214.353 1.079 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]C[C@@H](C)CCCO)CC1 ZINC000384551704 367700132 /nfs/dbraw/zinc/70/01/32/367700132.db2.gz IHYDGFTXOGZHSF-ZDUSSCGKSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCCC2)[C@@H](C)O1 ZINC000384571687 367701742 /nfs/dbraw/zinc/70/17/42/367701742.db2.gz JGQSUQBRFCIFGU-UPJWGTAASA-N 2 0 226.364 1.628 20 0 BDADRP CC[C@@H]1[C@@H](C)CC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000384018455 367668273 /nfs/dbraw/zinc/66/82/73/367668273.db2.gz QIVWNQJMKYXPMH-QWHCGFSZSA-N 2 0 225.380 1.012 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2C[NH3+])[C@@H](C)O1 ZINC000384714290 367719394 /nfs/dbraw/zinc/71/93/94/367719394.db2.gz GZPXOLGZGSELHY-ZIQFBCGOSA-N 2 0 212.337 1.269 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2C[NH3+])[C@H](C)O1 ZINC000384735291 367723570 /nfs/dbraw/zinc/72/35/70/367723570.db2.gz KMSLESSIRDNJGZ-SJHCENCUSA-N 2 0 226.364 1.659 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H](C)CC(C)(C)O)CC1 ZINC000384751292 367726048 /nfs/dbraw/zinc/72/60/48/367726048.db2.gz OJGDEPHSOPPTHZ-GFCCVEGCSA-N 2 0 242.407 2.000 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000384827104 367737577 /nfs/dbraw/zinc/73/75/77/367737577.db2.gz XHEGOQHYESFKBN-DDHJBXDOSA-N 2 0 214.353 1.659 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)CC1 ZINC000384908605 367754702 /nfs/dbraw/zinc/75/47/02/367754702.db2.gz OJWFXGXJNNQBLO-MBNYWOFBSA-N 2 0 240.391 1.874 20 0 BDADRP CC[NH2+]CCC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000566088034 325992369 /nfs/dbraw/zinc/99/23/69/325992369.db2.gz OUAHXYPIKBFROX-CYBMUJFWSA-N 2 0 240.391 1.925 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@H]1C[C@@H](C)O[C@H]1C ZINC000384925799 367758644 /nfs/dbraw/zinc/75/86/44/367758644.db2.gz PRTFOQPPMZWRKC-AGIUHOORSA-N 2 0 228.380 1.872 20 0 BDADRP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000384928421 367760702 /nfs/dbraw/zinc/76/07/02/367760702.db2.gz SAUCFQCVIQKJKZ-JHJVBQTASA-N 2 0 240.391 1.752 20 0 BDADRP C[C@H](O)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000581721328 367784320 /nfs/dbraw/zinc/78/43/20/367784320.db2.gz PSZZNRQYTDLXAW-SRVKXCTJSA-N 2 0 230.396 1.712 20 0 BDADRP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)[C@H](C)O ZINC000581721329 367784649 /nfs/dbraw/zinc/78/46/49/367784649.db2.gz PSZZNRQYTDLXAW-WOPDTQHZSA-N 2 0 230.396 1.712 20 0 BDADRP Cc1nc(C[NH2+]C[C@H](C)Cn2ccnc2)[nH]c1C ZINC000581737856 367800875 /nfs/dbraw/zinc/80/08/75/367800875.db2.gz UQVGLQACNLZRNV-JTQLQIEISA-N 2 0 247.346 1.649 20 0 BDADRP CC(C)(CO)CC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000385953192 367890299 /nfs/dbraw/zinc/89/02/99/367890299.db2.gz XVBQOVYPHYGQEP-RYUDHWBXSA-N 2 0 228.380 1.502 20 0 BDADRP C[C@@H](NCC1([NH+](C)C)CCC1)[C@@H]1CCCC[NH2+]1 ZINC000385991377 367893670 /nfs/dbraw/zinc/89/36/70/367893670.db2.gz JCVLKBVQTPPIPD-OLZOCXBDSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1CCCC[NH2+]1 ZINC000386039355 367901572 /nfs/dbraw/zinc/90/15/72/367901572.db2.gz SJVKPKYWFFFOCI-OCCSQVGLSA-N 3 0 239.407 1.448 20 0 BDADRP COC[C@H](C)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386544406 367989127 /nfs/dbraw/zinc/98/91/27/367989127.db2.gz FFKBMRBVGSSJLW-IJLUTSLNSA-N 2 0 214.353 1.389 20 0 BDADRP C[C@@H](CN[C@@H](C)[C@H]1CCCC[NH2+]1)[NH+](C)C ZINC000386574146 367994218 /nfs/dbraw/zinc/99/42/18/367994218.db2.gz MPWSUOVKIHZFRU-SDDRHHMPSA-N 2 0 213.369 1.057 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCS2)C1 ZINC000087668304 367962872 /nfs/dbraw/zinc/96/28/72/367962872.db2.gz YZFXFIXNIHVMIP-VWYCJHECSA-N 2 0 214.378 1.742 20 0 BDADRP C[C@H](NC[C@@H](O)CC(C)(C)C)[C@@H]1CCCC[NH2+]1 ZINC000386419429 367967250 /nfs/dbraw/zinc/96/72/50/367967250.db2.gz JZFONUKJWVAJPA-AVGNSLFASA-N 2 0 242.407 1.904 20 0 BDADRP C[C@H](NCC[NH+]1CCCC1)[C@@H]1CCCC[NH2+]1 ZINC000386464875 367979231 /nfs/dbraw/zinc/97/92/31/367979231.db2.gz PTCIWSKHQGTLSP-STQMWFEESA-N 2 0 225.380 1.202 20 0 BDADRP CC[C@H]([NH2+][C@H](C)CCCC[NH3+])[C@@H](C)O ZINC000387379359 368164059 /nfs/dbraw/zinc/16/40/59/368164059.db2.gz YMDQYIFGRYSHKS-MXWKQRLJSA-N 2 0 202.342 1.253 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@H]3CCCCO3)C[C@@H]21 ZINC000252878068 368165604 /nfs/dbraw/zinc/16/56/04/368165604.db2.gz WYZDQOHANGRXNG-YIYPIFLZSA-N 2 0 238.375 1.615 20 0 BDADRP C[C@@H]1C[N@H+](CCC[NH2+]CC2(C)CC2)CCCO1 ZINC000566654568 326071297 /nfs/dbraw/zinc/07/12/97/326071297.db2.gz BRBFYILXOSKOAY-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)[C@@H]1CCCC[NH2+]1 ZINC000566908997 326092859 /nfs/dbraw/zinc/09/28/59/326092859.db2.gz WBQVDPGBACOUTH-AAEUAGOBSA-N 3 0 225.380 1.106 20 0 BDADRP CC(C)C[NH+]1CCC([NH2+]CC2(C)COC2)CC1 ZINC000164357202 203004047 /nfs/dbraw/zinc/00/40/47/203004047.db2.gz QHOBSZIAYVKTOC-UHFFFAOYSA-N 2 0 240.391 1.733 20 0 BDADRP CC[NH+](CC)CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000086401881 368879506 /nfs/dbraw/zinc/87/95/06/368879506.db2.gz FHFMPTRGGSRJMV-NWDGAFQWSA-N 2 0 213.369 1.188 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccncc1 ZINC000086700271 368884015 /nfs/dbraw/zinc/88/40/15/368884015.db2.gz QLPRKLGOIDXUAY-NSHDSACASA-N 2 0 219.332 1.732 20 0 BDADRP Nc1ccc2c(c1)CC[C@@H]2[NH2+]CCC[NH3+] ZINC000086728282 368884152 /nfs/dbraw/zinc/88/41/52/368884152.db2.gz YUJYUMDHUYZNPV-LBPRGKRZSA-N 2 0 205.305 1.195 20 0 BDADRP C[C@H]1OCC[C@@H]1C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000631830132 369007073 /nfs/dbraw/zinc/00/70/73/369007073.db2.gz KUCAIUNIYUAUTO-SYQHCUMBSA-N 2 0 238.375 1.343 20 0 BDADRP [NH3+][C@@H]1CCCCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000631831776 369015123 /nfs/dbraw/zinc/01/51/23/369015123.db2.gz ONLKGKSNIGLPMT-CHWSQXEVSA-N 2 0 225.380 1.189 20 0 BDADRP Cc1nccnc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000631823812 368986230 /nfs/dbraw/zinc/98/62/30/368986230.db2.gz OJNSLMQIONPSEE-RWMBFGLXSA-N 2 0 246.358 1.344 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@H]1NC[C@H]1CCCC[NH+](C)C1 ZINC000623655869 368991274 /nfs/dbraw/zinc/99/12/74/368991274.db2.gz HUQJDWARACYUHJ-MGPQQGTHSA-N 2 0 239.407 1.258 20 0 BDADRP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(CCF)CC1 ZINC000631837205 369090170 /nfs/dbraw/zinc/09/01/70/369090170.db2.gz OTBCMNVSLGCSOG-GFCCVEGCSA-N 2 0 232.343 1.028 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)C(C)C ZINC000155052684 326182436 /nfs/dbraw/zinc/18/24/36/326182436.db2.gz FESSEWLVSUKNGM-KBPBESRZSA-N 2 0 241.423 1.647 20 0 BDADRP CO[C@@H](C)C[N@H+](CCc1cncn1C)C(C)C ZINC000459334074 203250024 /nfs/dbraw/zinc/25/00/24/203250024.db2.gz CZCMKWHITVKBRQ-LBPRGKRZSA-N 2 0 239.363 1.708 20 0 BDADRP COC[C@H]([NH2+]CCN1CCC[C@@H](C)C1)C(C)C ZINC000156700136 326240206 /nfs/dbraw/zinc/24/02/06/326240206.db2.gz KOWPQWWRQYRUCM-KGLIPLIRSA-N 2 0 242.407 1.979 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@@H](C)O)C[C@H]1C ZINC000459356597 203268860 /nfs/dbraw/zinc/26/88/60/203268860.db2.gz LNZMECABCNOBID-IJLUTSLNSA-N 2 0 214.353 1.172 20 0 BDADRP COc1ccc(CC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000107855739 369362686 /nfs/dbraw/zinc/36/26/86/369362686.db2.gz XDQPTXVVZVXLDC-ZIAGYGMSSA-N 2 0 246.354 1.389 20 0 BDADRP CC[C@@H]1OCC[C@H]1[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000459770669 203362871 /nfs/dbraw/zinc/36/28/71/203362871.db2.gz HSYOTESDMTXUPN-UPJWGTAASA-N 2 0 226.364 1.628 20 0 BDADRP COCC[C@@H](C)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459782803 203368574 /nfs/dbraw/zinc/36/85/74/203368574.db2.gz NAGFSCNMNIVKOH-OLZOCXBDSA-N 2 0 228.380 1.733 20 0 BDADRP C[C@H]([NH2+]C[C@@H](C1CC1)N(C)C)[C@@H]1CCOC1 ZINC000166219013 203387504 /nfs/dbraw/zinc/38/75/04/203387504.db2.gz UCDZBGWVSQTCPX-UHTWSYAYSA-N 2 0 226.364 1.341 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCOC1 ZINC000158222157 326312028 /nfs/dbraw/zinc/31/20/28/326312028.db2.gz BKWXRCHQOMCTIU-MJBXVCDLSA-N 2 0 240.391 1.733 20 0 BDADRP CC(C)OCC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252882215 370138245 /nfs/dbraw/zinc/13/82/45/370138245.db2.gz ZGCLQYZWMKLWDW-AVGNSLFASA-N 2 0 226.364 1.471 20 0 BDADRP CSC1(C[NH2+][C@H]2CCN(CC3CC3)C2)CC1 ZINC000309729091 370248912 /nfs/dbraw/zinc/24/89/12/370248912.db2.gz ZCOOLGBILQSHBW-LBPRGKRZSA-N 2 0 240.416 1.956 20 0 BDADRP Cc1ccoc1CNC1CC([NH+](C)C)C1 ZINC000568239687 326332729 /nfs/dbraw/zinc/33/27/29/326332729.db2.gz QEPSWDBHJSHTMS-UHFFFAOYSA-N 2 0 208.305 1.770 20 0 BDADRP CC[C@H](C)[N@H+](C)CCNC(=O)C[NH+](C)C(C)C ZINC000066124542 370552328 /nfs/dbraw/zinc/55/23/28/370552328.db2.gz HUVWVVKSJMJMPW-LBPRGKRZSA-N 2 0 243.395 1.173 20 0 BDADRP CCn1cc(CC[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cn1 ZINC000621775222 370521645 /nfs/dbraw/zinc/52/16/45/370521645.db2.gz IVMVTYVVQCDKJE-WCQYABFASA-N 2 0 236.363 1.115 20 0 BDADRP Cc1cc(CN(C)C2(C[NH3+])CCC2)ccn1 ZINC000621775005 370521717 /nfs/dbraw/zinc/52/17/17/370521717.db2.gz CLEURDAVAGBWFW-UHFFFAOYSA-N 2 0 219.332 1.703 20 0 BDADRP CCn1nccc1CC[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000621775369 370522813 /nfs/dbraw/zinc/52/28/13/370522813.db2.gz NBQWYIULHKTSBV-NEPJUHHUSA-N 2 0 236.363 1.115 20 0 BDADRP [NH3+][C@@]12CCC[C@H]1C[N@H+](CCC1CC[NH2+]CC1)C2 ZINC000621781414 370530776 /nfs/dbraw/zinc/53/07/76/370530776.db2.gz DQOVXESFPVHOOA-UONOGXRCSA-N 3 0 237.391 1.189 20 0 BDADRP COCCCC[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621782115 370530818 /nfs/dbraw/zinc/53/08/18/370530818.db2.gz MPCHDQJAEPJECJ-VXGBXAGGSA-N 2 0 212.337 1.226 20 0 BDADRP Cc1nccnc1CN1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631890101 370997671 /nfs/dbraw/zinc/99/76/71/370997671.db2.gz MEXQOIYCRZAEHB-GXTWGEPZSA-N 2 0 246.358 1.359 20 0 BDADRP CO[C@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)N(C3CC3)C2)C1 ZINC000623808275 371104200 /nfs/dbraw/zinc/10/42/00/371104200.db2.gz KMTJSXRSVVWGRR-PRULPYPASA-N 2 0 224.348 1.379 20 0 BDADRP CC[C@@](C)(CO)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623946925 371173120 /nfs/dbraw/zinc/17/31/20/371173120.db2.gz MOOHPHVFNBSZJS-YPMHNXCESA-N 2 0 228.380 1.610 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H](O)C2)[C@@H]2CCC[C@H]21 ZINC000624216845 371404058 /nfs/dbraw/zinc/40/40/58/371404058.db2.gz RXUAAMCHMLWNBN-ZUWCUPBKSA-N 2 0 238.375 1.220 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H]2C[C@@H](O)C2)[C@H](C)C1 ZINC000624218829 371407123 /nfs/dbraw/zinc/40/71/23/371407123.db2.gz CKMKAZWPJCMZFG-FVCCEPFGSA-N 2 0 226.364 1.077 20 0 BDADRP C[C@@H](CCC(C)(C)C)[NH2+]CCN1CC[C@@H](O)C1 ZINC000624231006 371418494 /nfs/dbraw/zinc/41/84/94/371418494.db2.gz NCNHXDNZVPZFGW-QWHCGFSZSA-N 2 0 242.407 1.857 20 0 BDADRP CN1CCC[C@H]1C[NH2+][C@@H]1CCCSCC1 ZINC000624271773 371452452 /nfs/dbraw/zinc/45/24/52/371452452.db2.gz DFVAKADBEGNECX-NEPJUHHUSA-N 2 0 228.405 1.956 20 0 BDADRP CCC[N@H+](C[C@H]1CCO[C@@H]1C)C1CC[NH2+]CC1 ZINC000631822844 372600929 /nfs/dbraw/zinc/60/09/29/372600929.db2.gz QANSYYXTBHQSML-CHWSQXEVSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](C[C@@H]2CCO[C@H]2C)CC1 ZINC000631820857 372593365 /nfs/dbraw/zinc/59/33/65/372593365.db2.gz ITAAUDQKLBEFRK-GVXVVHGQSA-N 2 0 226.364 1.471 20 0 BDADRP C[NH2+]CC1CC[NH+](C[C@H]2CCO[C@@H]2C)CC1 ZINC000631821659 372596956 /nfs/dbraw/zinc/59/69/56/372596956.db2.gz FOBFOTQRXDSEBR-DGCLKSJQSA-N 2 0 226.364 1.343 20 0 BDADRP C[C@H]1C[C@H](C[NH3+])C[N@H+]1C[C@H]1CCO[C@H]1C ZINC000631822907 372600145 /nfs/dbraw/zinc/60/01/45/372600145.db2.gz RPWTXTPAHAUKMR-NNYUYHANSA-N 2 0 212.337 1.081 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000631827981 372609175 /nfs/dbraw/zinc/60/91/75/372609175.db2.gz BHTGVOBNCRJMJN-IKOXMDCHSA-N 2 0 240.391 1.717 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000631828450 372609703 /nfs/dbraw/zinc/60/97/03/372609703.db2.gz PGVHPCOJPVSGSX-MROQNXINSA-N 2 0 226.364 1.328 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000631828899 372611176 /nfs/dbraw/zinc/61/11/76/372611176.db2.gz BAQQVRLVRWATRJ-QJPTWQEYSA-N 2 0 212.337 1.415 20 0 BDADRP Cc1cccnc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631837903 372630092 /nfs/dbraw/zinc/63/00/92/372630092.db2.gz GWVZTWXXGJBIBZ-NWDGAFQWSA-N 2 0 219.332 1.417 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000631826397 372606054 /nfs/dbraw/zinc/60/60/54/372606054.db2.gz MMQQCWBYTCLTFW-AVGNSLFASA-N 2 0 226.364 1.615 20 0 BDADRP CC[C@@H](C)C[NH+]1CCC([NH2+]CCO)CC1 ZINC000631861796 372663596 /nfs/dbraw/zinc/66/35/96/372663596.db2.gz APJYXLUTJJHRBU-LLVKDONJSA-N 2 0 214.353 1.079 20 0 BDADRP CC[NH+](CC)CCCN1C[C@@H]([NH3+])C[C@H]1C ZINC000631863223 372666989 /nfs/dbraw/zinc/66/69/89/372666989.db2.gz YJZDZQFEGUQYEU-NEPJUHHUSA-N 2 0 213.369 1.140 20 0 BDADRP C[C@H]1OCC[C@@H]1C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631867432 372669281 /nfs/dbraw/zinc/66/92/81/372669281.db2.gz UPYRRWQBHOCOOB-LPWJVIDDSA-N 2 0 224.348 1.143 20 0 BDADRP C[C@@H]1OCC[C@H]1C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631867433 372669335 /nfs/dbraw/zinc/66/93/35/372669335.db2.gz UPYRRWQBHOCOOB-RVMXOQNASA-N 2 0 224.348 1.143 20 0 BDADRP CC(C)OCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631887269 372682433 /nfs/dbraw/zinc/68/24/33/372682433.db2.gz PQJOQTVNIPVNKE-QWHCGFSZSA-N 2 0 226.364 1.485 20 0 BDADRP CC(C)COCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631890902 372685930 /nfs/dbraw/zinc/68/59/30/372685930.db2.gz ULAQVZPTWJLAMY-ZIAGYGMSSA-N 2 0 240.391 1.733 20 0 BDADRP [NH3+]C[C@H]1Cc2ccccc2N(C[C@@H]2CC[NH2+]C2)C1 ZINC000631892505 372688776 /nfs/dbraw/zinc/68/87/76/372688776.db2.gz KZYRDNREKBZXNH-CHWSQXEVSA-N 2 0 245.370 1.234 20 0 BDADRP CC[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000069016638 373106431 /nfs/dbraw/zinc/10/64/31/373106431.db2.gz MTIIVKRCWLHPJS-BETUJISGSA-N 2 0 240.391 1.828 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000414774253 205770264 /nfs/dbraw/zinc/77/02/64/205770264.db2.gz BBWMZMUOEGOJKB-KBPBESRZSA-N 2 0 239.407 1.435 20 0 BDADRP CC[NH2+]Cc1cccc(NCC2(C[NH3+])CC2)c1 ZINC000414863396 205776506 /nfs/dbraw/zinc/77/65/06/205776506.db2.gz JEUCQPANBXXYQD-UHFFFAOYSA-N 2 0 233.359 1.947 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(C)(C)O)[C@@H](C)C1 ZINC000360471765 170009490 /nfs/dbraw/zinc/00/94/90/170009490.db2.gz COWUYRKVGNKKMN-QWHCGFSZSA-N 2 0 242.407 1.810 20 0 BDADRP C[C@@H]([NH3+])C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000442661373 206082394 /nfs/dbraw/zinc/08/23/94/206082394.db2.gz NIHLNRKFCZKJRV-DGCLKSJQSA-N 2 0 226.364 1.757 20 0 BDADRP C[C@H]1CCC[NH+]1CC(O)C[N@H+]1CCC[C@@H]1C ZINC000194591153 206095008 /nfs/dbraw/zinc/09/50/08/206095008.db2.gz RPWWCEZVRSEMQO-RYUDHWBXSA-N 2 0 226.364 1.316 20 0 BDADRP CC(C)(C)[NH+]1CCC(N[C@H]2CCC[NH2+]C2)CC1 ZINC000043327296 166609073 /nfs/dbraw/zinc/60/90/73/166609073.db2.gz YKDBXQGWSQHTSX-ZDUSSCGKSA-N 2 0 239.407 1.591 20 0 BDADRP CCCCOCC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000303621885 168896562 /nfs/dbraw/zinc/89/65/62/168896562.db2.gz ZEUZOZPJNUQAPM-ZDUSSCGKSA-N 2 0 226.364 1.489 20 0 BDADRP OCCCC1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000339414404 183044122 /nfs/dbraw/zinc/04/41/22/183044122.db2.gz XGOUVLYAKINDQB-AWEZNQCLSA-N 2 0 240.391 1.471 20 0 BDADRP OC[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000353509715 183137198 /nfs/dbraw/zinc/13/71/98/183137198.db2.gz LGPJJDNBJVIJSP-BFHYXJOUSA-N 2 0 238.375 1.221 20 0 BDADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)CC)C1 ZINC000304707758 169077352 /nfs/dbraw/zinc/07/73/52/169077352.db2.gz LCOZQQKEEJOERJ-CHWSQXEVSA-N 2 0 228.380 1.421 20 0 BDADRP O[C@H](C[NH2+][C@@H]1CCC12CCC2)C[NH+]1CCCC1 ZINC000337533448 183225541 /nfs/dbraw/zinc/22/55/41/183225541.db2.gz WJJCQCQQUROCLI-CHWSQXEVSA-N 2 0 238.375 1.365 20 0 BDADRP CCC[N@H+](CC)CCN[C@@H]1CC[NH+](C)C[C@H]1C ZINC000361967423 169122195 /nfs/dbraw/zinc/12/21/95/169122195.db2.gz UCSIHKNYUFXXSP-ZIAGYGMSSA-N 2 0 241.423 1.648 20 0 BDADRP CCCN(CC[NH+](C)C)C(=O)C[NH+](CC)CC ZINC000337526156 169155168 /nfs/dbraw/zinc/15/51/68/169155168.db2.gz PQDUSBLUXAHJEG-UHFFFAOYSA-N 2 0 243.395 1.128 20 0 BDADRP CCC[NH+]1CCC([N@H+](C)C[C@H](O)CC)CC1 ZINC000304434876 169187390 /nfs/dbraw/zinc/18/73/90/169187390.db2.gz RMMHPTGNZUTGQT-CYBMUJFWSA-N 2 0 228.380 1.564 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@H](CO)C2CC2)CC1 ZINC000353858777 169188682 /nfs/dbraw/zinc/18/86/82/169188682.db2.gz IMZWVYQZYNGSLG-CYBMUJFWSA-N 2 0 240.391 1.469 20 0 BDADRP CCC[NH+]1CCC(N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000093210642 169189513 /nfs/dbraw/zinc/18/95/13/169189513.db2.gz HYNKZMJBJZAVPH-JSGCOSHPSA-N 2 0 239.407 1.720 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H]2CCO[C@@H]2C)CC1 ZINC000119911466 169189992 /nfs/dbraw/zinc/18/99/92/169189992.db2.gz LVSWQVNTDGQRBU-YPMHNXCESA-N 2 0 226.364 1.628 20 0 BDADRP CCC[N@@H+]1CCCN(C(=O)CC(C)(C)[NH3+])CC1 ZINC000370783466 169191999 /nfs/dbraw/zinc/19/19/99/169191999.db2.gz YPUTXTKSJQEDOM-UHFFFAOYSA-N 2 0 241.379 1.058 20 0 BDADRP c1c[nH]c([C@H]2CCC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)n1 ZINC000336495843 183328220 /nfs/dbraw/zinc/32/82/20/183328220.db2.gz NXTMTGNPGYLGME-STQMWFEESA-N 2 0 248.374 1.589 20 0 BDADRP c1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)on1 ZINC000334981620 183341716 /nfs/dbraw/zinc/34/17/16/183341716.db2.gz UQYYYRXMIHIXJH-VXGBXAGGSA-N 2 0 235.331 1.496 20 0 BDADRP CCC[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375903453 169207053 /nfs/dbraw/zinc/20/70/53/169207053.db2.gz PCBSAVZBOZXDMK-CQSZACIVSA-N 2 0 239.407 1.497 20 0 BDADRP c1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)ccn1 ZINC000037408311 183352079 /nfs/dbraw/zinc/35/20/79/183352079.db2.gz FBHXAAACZXXVIW-CYBMUJFWSA-N 2 0 231.343 1.656 20 0 BDADRP c1ccc(CCC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107580112 183391536 /nfs/dbraw/zinc/39/15/36/183391536.db2.gz BSHIDQXRMQJSCA-GJZGRUSLSA-N 2 0 230.355 1.770 20 0 BDADRP CCCO[C@@H]1CCC[N@H+](CCOCC[NH3+])CC1 ZINC000357083889 169311992 /nfs/dbraw/zinc/31/19/92/169311992.db2.gz IVZNAWRMZRBSLV-CYBMUJFWSA-N 2 0 244.379 1.243 20 0 BDADRP CCC[C@@H](C)[NH2+]C[C@@H](C)N1CC[NH+](CC)CC1 ZINC000053487625 169369770 /nfs/dbraw/zinc/36/97/70/169369770.db2.gz MOEDYFUGTSGJRP-ZIAGYGMSSA-N 2 0 241.423 1.791 20 0 BDADRP CCC[C@@H](C)[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000304402001 169369864 /nfs/dbraw/zinc/36/98/64/169369864.db2.gz OHBVJIONTVJVMC-GFCCVEGCSA-N 2 0 228.380 1.781 20 0 BDADRP CCC[C@@H]([NH3+])C(=O)N(C)C1CC[NH+](CC)CC1 ZINC000036873365 169386725 /nfs/dbraw/zinc/38/67/25/169386725.db2.gz JFJZZVVERVSXEW-GFCCVEGCSA-N 2 0 241.379 1.057 20 0 BDADRP C[NH2+]CCCC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000178817690 134315785 /nfs/dbraw/zinc/31/57/85/134315785.db2.gz OTSNHRXJCQMHIP-LLVKDONJSA-N 2 0 243.395 1.079 20 0 BDADRP CCC[C@@H]([NH3+])C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000037041719 169388581 /nfs/dbraw/zinc/38/85/81/169388581.db2.gz UIVCKVFQNJZRSM-GFCCVEGCSA-N 2 0 241.379 1.103 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@@H]1CCSC1 ZINC000224403634 134346993 /nfs/dbraw/zinc/34/69/93/134346993.db2.gz MEFSSKRRKUVNOU-MNOVXSKESA-N 2 0 216.394 1.669 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN2C)CCO1 ZINC000225589608 134354161 /nfs/dbraw/zinc/35/41/61/134354161.db2.gz OZQVQCCXUYYRAX-RDBSUJKOSA-N 2 0 240.391 1.874 20 0 BDADRP COCC[C@H](C)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226326414 134360135 /nfs/dbraw/zinc/36/01/35/134360135.db2.gz SBMBDAOSCFIDFJ-RYUDHWBXSA-N 2 0 214.353 1.472 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+]C[C@H]2CCCOC2)CC1 ZINC000227328716 134378321 /nfs/dbraw/zinc/37/83/21/134378321.db2.gz YEWNSEMBTWKKTG-CYBMUJFWSA-N 2 0 240.391 1.735 20 0 BDADRP c1ncc(C[NH2+]CC[C@H]2CCC[NH2+]C2)s1 ZINC000131614410 383826425 /nfs/dbraw/zinc/82/64/25/383826425.db2.gz RIBWPLMXVNDYRN-SNVBAGLBSA-N 2 0 225.361 1.622 20 0 BDADRP CC(C)N(C)C[C@H](C)[NH2+][C@H](C)[C@H]1CCOC1 ZINC000309328943 383879495 /nfs/dbraw/zinc/87/94/95/383879495.db2.gz HGYPIKBXHMEASL-XQQFMLRXSA-N 2 0 228.380 1.730 20 0 BDADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cscn2)C1 ZINC000069724122 383841970 /nfs/dbraw/zinc/84/19/70/383841970.db2.gz GNXFQUAJIMQOLN-SNVBAGLBSA-N 2 0 225.361 1.704 20 0 BDADRP CC(C)N(C)C[C@H](C)[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000309328944 383879965 /nfs/dbraw/zinc/87/99/65/383879965.db2.gz HGYPIKBXHMEASL-YNEHKIRRSA-N 2 0 228.380 1.730 20 0 BDADRP CC[C@@H]([NH2+][C@H](C)CCC[NH3+])[C@@H](O)CC ZINC000313137521 383925377 /nfs/dbraw/zinc/92/53/77/383925377.db2.gz GLKOFKXVBDSUDK-MXWKQRLJSA-N 2 0 202.342 1.253 20 0 BDADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+]([C@@H]1CCOC1)C2 ZINC000643611307 383927187 /nfs/dbraw/zinc/92/71/87/383927187.db2.gz JFOYBJKGKQLLBJ-OLZOCXBDSA-N 2 0 224.348 1.193 20 0 BDADRP CC(C)[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000037042487 383930791 /nfs/dbraw/zinc/93/07/91/383930791.db2.gz VEXFKOCTRKNKJU-CYBMUJFWSA-N 2 0 249.358 1.670 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](CCC(F)(F)F)C1 ZINC000070914886 383960457 /nfs/dbraw/zinc/96/04/57/383960457.db2.gz GBODTJXZJSGCKT-VIFPVBQESA-N 2 0 224.270 2.000 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@H]1CO[C@@H](C)C1 ZINC000401787175 384005148 /nfs/dbraw/zinc/00/51/48/384005148.db2.gz LMTMTZNFLNGVDF-NWDGAFQWSA-N 2 0 214.353 1.484 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]CCC[NH2+]C2CC2)C1 ZINC000643545081 384008575 /nfs/dbraw/zinc/00/85/75/384008575.db2.gz LUIYXKVVOJRZCN-QWHCGFSZSA-N 2 0 226.364 1.676 20 0 BDADRP CO[C@H](CC(C)C)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000642680558 384042753 /nfs/dbraw/zinc/04/27/53/384042753.db2.gz ZCHRIMQSPJKDJY-RWMBFGLXSA-N 2 0 226.364 1.199 20 0 BDADRP CCC[NH2+]CCNC(=O)[C@@H]([NH3+])c1ccccc1C ZINC000449371102 384037863 /nfs/dbraw/zinc/03/78/63/384037863.db2.gz QGSHHBPAIDOSAH-ZDUSSCGKSA-N 2 0 249.358 1.111 20 0 BDADRP CO[C@H](CC(C)C)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000642680556 384041254 /nfs/dbraw/zinc/04/12/54/384041254.db2.gz ZCHRIMQSPJKDJY-FRRDWIJNSA-N 2 0 226.364 1.199 20 0 BDADRP CC(C)([NH3+])CCC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000648129952 384085626 /nfs/dbraw/zinc/08/56/26/384085626.db2.gz XYIIVQCSSOUWFZ-LLVKDONJSA-N 2 0 241.379 1.091 20 0 BDADRP CO[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000223913221 384067322 /nfs/dbraw/zinc/06/73/22/384067322.db2.gz OYWQAZLMGWDNNL-FVCCEPFGSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@@H]([NH2+]CCc1cn(C)cn1)c1ccco1 ZINC000313253359 384164044 /nfs/dbraw/zinc/16/40/44/384164044.db2.gz PJKRVYMEFSFCEQ-SNVBAGLBSA-N 2 0 219.288 1.906 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000305287237 384164643 /nfs/dbraw/zinc/16/46/43/384164643.db2.gz DBNPCGQTBCZYEG-XDQVBPFNSA-N 2 0 240.391 1.610 20 0 BDADRP Cc1cnc(CNCc2cnc(C)n2C)s1 ZINC000517395419 384180679 /nfs/dbraw/zinc/18/06/79/384180679.db2.gz IYLMQOZBJKYYMG-UHFFFAOYSA-N 2 0 236.344 1.783 20 0 BDADRP C[C@@]1(C[NH3+])CC[N@H+](CCOc2ccccc2)C1 ZINC000235438684 384231551 /nfs/dbraw/zinc/23/15/51/384231551.db2.gz MPCMFMYHALLRBU-AWEZNQCLSA-N 2 0 234.343 1.736 20 0 BDADRP C[C@@H](CCO)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000132551976 384236017 /nfs/dbraw/zinc/23/60/17/384236017.db2.gz QTMYVJQQPASACE-LBPRGKRZSA-N 2 0 249.358 1.411 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCn2ccnc2C1)c1ncc[nH]1 ZINC000560548385 384217506 /nfs/dbraw/zinc/21/75/06/384217506.db2.gz NURFOZIACBGBDJ-VHSXEESVSA-N 2 0 231.303 1.272 20 0 BDADRP CCCN(C(=O)CC(C)(C)[NH3+])C1CC[NH2+]CC1 ZINC000178652638 384226243 /nfs/dbraw/zinc/22/62/43/384226243.db2.gz VDVMZQQXBQOCIF-UHFFFAOYSA-N 2 0 241.379 1.104 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000082581722 384243336 /nfs/dbraw/zinc/24/33/36/384243336.db2.gz XLMCKLCVFNAMPS-RYUDHWBXSA-N 2 0 212.337 1.084 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000069626416 384247085 /nfs/dbraw/zinc/24/70/85/384247085.db2.gz ROKSDDMYNNSBBX-LBPRGKRZSA-N 2 0 219.332 1.642 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H]2CCOC2)C1 ZINC000082645457 384253086 /nfs/dbraw/zinc/25/30/86/384253086.db2.gz KNYZEJJRHDJDDL-SDDRHHMPSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)CO1 ZINC000401908747 384253512 /nfs/dbraw/zinc/25/35/12/384253512.db2.gz VKNMIIGKXRZKHR-GRYCIOLGSA-N 2 0 212.337 1.095 20 0 BDADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)N[C@@H](C)C[NH+](C)C ZINC000168747072 384307571 /nfs/dbraw/zinc/30/75/71/384307571.db2.gz UVAHBPOQZYWAKE-MELADBBJSA-N 2 0 241.423 1.837 20 0 BDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H](C)C[NH+](C)C ZINC000168747157 384307904 /nfs/dbraw/zinc/30/79/04/384307904.db2.gz UVAHBPOQZYWAKE-HZSPNIEDSA-N 2 0 241.423 1.837 20 0 BDADRP CCOCCC[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000083550006 384310436 /nfs/dbraw/zinc/31/04/36/384310436.db2.gz LKMILVFJQVWZPX-NSHDSACASA-N 2 0 214.353 1.472 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCCCC2)CO1 ZINC000401914280 384281208 /nfs/dbraw/zinc/28/12/08/384281208.db2.gz ZNEKANLIRNCGKF-QWHCGFSZSA-N 2 0 226.364 1.629 20 0 BDADRP CCOC[C@@H]([NH2+][C@@H](C)CCC[NH3+])C(C)C ZINC000308797462 384291967 /nfs/dbraw/zinc/29/19/67/384291967.db2.gz CTYAONIPLUHMOX-NWDGAFQWSA-N 2 0 216.369 1.765 20 0 BDADRP C[C@H]1[NH2+]CCN(Cc2cnc3ccccn23)[C@@H]1C ZINC000647509524 384340719 /nfs/dbraw/zinc/34/07/19/384340719.db2.gz LCGKRLYIILNLMH-VXGBXAGGSA-N 2 0 244.342 1.517 20 0 BDADRP Cc1ccc(C[NH+]2CCC([C@H](C)[NH3+])CC2)cn1 ZINC000228858644 384346723 /nfs/dbraw/zinc/34/67/23/384346723.db2.gz MHGBVQWQCGMVQN-LBPRGKRZSA-N 2 0 233.359 1.949 20 0 BDADRP CC(C)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174724432 384354507 /nfs/dbraw/zinc/35/45/07/384354507.db2.gz XMXREPYWDJNGNM-UHFFFAOYSA-N 2 0 227.396 1.212 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCC(C)CC2)CO1 ZINC000401973426 384359194 /nfs/dbraw/zinc/35/91/94/384359194.db2.gz PUGDZXPGJXFDDG-UONOGXRCSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCSC2)CC[N@@H+]1C ZINC000300234467 384331023 /nfs/dbraw/zinc/33/10/23/384331023.db2.gz VCDSWLSTSXNZJF-IJLUTSLNSA-N 2 0 228.405 1.812 20 0 BDADRP COC[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000397244987 384417637 /nfs/dbraw/zinc/41/76/37/384417637.db2.gz NHDQZMPLZGMIJT-PWSUYJOCSA-N 2 0 212.337 1.001 20 0 BDADRP C[C@H]1NCCC[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000335642710 384417670 /nfs/dbraw/zinc/41/76/70/384417670.db2.gz HLFDFWLLHDNUDV-IAQYHMDHSA-N 2 0 230.355 1.884 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@H]1CCO[C@@H]1C ZINC000096033400 384425277 /nfs/dbraw/zinc/42/52/77/384425277.db2.gz SXUCXWPDDGONGB-NEPJUHHUSA-N 2 0 214.353 1.485 20 0 BDADRP C([C@H]1CC[N@H+](C[C@@H]2CCCO2)C1)[NH+]1CCCC1 ZINC000150852960 384513730 /nfs/dbraw/zinc/51/37/30/384513730.db2.gz GUHUDIHUGSTLQL-KGLIPLIRSA-N 2 0 238.375 1.583 20 0 BDADRP COC[C@H]1CCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000643058138 384561109 /nfs/dbraw/zinc/56/11/09/384561109.db2.gz FVGNVJVGFQPPCC-VXGBXAGGSA-N 2 0 212.337 1.097 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643066558 384579251 /nfs/dbraw/zinc/57/92/51/384579251.db2.gz QDVUUWQSFSNESK-KGLIPLIRSA-N 2 0 239.407 1.402 20 0 BDADRP C(CN1CC[C@H]2CC[NH2+][C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000643066836 384580897 /nfs/dbraw/zinc/58/08/97/384580897.db2.gz UJPLQVQKTJPVOE-MJBXVCDLSA-N 2 0 237.391 1.060 20 0 BDADRP c1cc(CCCN2CC[C@H]3CC[NH2+][C@@H]3C2)ccn1 ZINC000643065151 384586304 /nfs/dbraw/zinc/58/63/04/384586304.db2.gz YYNHSROEHLSKOU-HUUCEWRRSA-N 2 0 245.370 1.698 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000647537014 384654631 /nfs/dbraw/zinc/65/46/31/384654631.db2.gz AEVHZAQEVJXPFF-UONOGXRCSA-N 2 0 239.407 1.435 20 0 BDADRP CCC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000236855196 384659323 /nfs/dbraw/zinc/65/93/23/384659323.db2.gz AXOMRLMSFKEHPZ-RYUDHWBXSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@H]1CC[NH2+]C[C@H]1NCc1ccc2c[nH]nc2c1 ZINC000518131193 384723691 /nfs/dbraw/zinc/72/36/91/384723691.db2.gz VVAGMTSNVCYYKE-IINYFYTJSA-N 2 0 244.342 1.651 20 0 BDADRP COC[C@H]([NH2+]C1CCC([NH3+])CC1)C(C)C ZINC000086730583 384677615 /nfs/dbraw/zinc/67/76/15/384677615.db2.gz QEXFCGYKOKRDFN-MCIGGMRASA-N 2 0 214.353 1.517 20 0 BDADRP CO[C@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)CC1 ZINC000363679150 384685108 /nfs/dbraw/zinc/68/51/08/384685108.db2.gz VMUZAHXTYDLOLF-KGLIPLIRSA-N 2 0 240.391 1.972 20 0 BDADRP CN(C)c1ccncc1C[NH2+]C[C@H]1CCCOC1 ZINC000185162044 384687382 /nfs/dbraw/zinc/68/73/82/384687382.db2.gz STCJQNVTVCAONT-GFCCVEGCSA-N 2 0 249.358 1.664 20 0 BDADRP COC[C@@H](C)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000647542046 384702493 /nfs/dbraw/zinc/70/24/93/384702493.db2.gz KPHBBYDTGOEOMM-GXTWGEPZSA-N 2 0 240.391 1.590 20 0 BDADRP CC(C)(N)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543199 384712495 /nfs/dbraw/zinc/71/24/95/384712495.db2.gz JFLKSSPHNLVXEF-QWHCGFSZSA-N 2 0 239.407 1.435 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](NCC2([NH3+])CCCCCC2)C1 ZINC000647546677 384733056 /nfs/dbraw/zinc/73/30/56/384733056.db2.gz VNLDKVRHWQZOSB-STQMWFEESA-N 2 0 239.407 1.626 20 0 BDADRP CC[NH+](CC)[C@H](CNC(=O)[C@H](C)[NH3+])CC(C)C ZINC000164408228 384733275 /nfs/dbraw/zinc/73/32/75/384733275.db2.gz AEMXVPOJXPEKDM-RYUDHWBXSA-N 2 0 243.395 1.206 20 0 BDADRP Nc1ccc(C[NH2+]CCC[C@H]2CCC[NH2+]2)cn1 ZINC000647547088 384736771 /nfs/dbraw/zinc/73/67/71/384736771.db2.gz NAZBMQCYDNHZQY-LBPRGKRZSA-N 2 0 234.347 1.116 20 0 BDADRP C[C@@H]1CNC[C@H]([NH2+]CCC[C@H]2CCC[NH2+]2)C1 ZINC000647547051 384737159 /nfs/dbraw/zinc/73/71/59/384737159.db2.gz LXTGMCMRJUYYLJ-YNEHKIRRSA-N 2 0 225.380 1.106 20 0 BDADRP COC[C@H](C)C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000530548356 384741112 /nfs/dbraw/zinc/74/11/12/384741112.db2.gz HSXCFKLIBGCONM-CYBMUJFWSA-N 2 0 240.391 1.829 20 0 BDADRP C1[NH2+]C[C@H]2CC[C@@H]([NH2+][C@H]3CCCC[NH2+]C3)C[C@@H]12 ZINC000647548186 384749365 /nfs/dbraw/zinc/74/93/65/384749365.db2.gz XZFBANQLQCKPNT-RQJABVFESA-N 3 0 237.391 1.106 20 0 BDADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647548035 384750119 /nfs/dbraw/zinc/75/01/19/384750119.db2.gz SIGFSNGWRCSPLP-IKOXMDCHSA-N 3 0 237.391 1.092 20 0 BDADRP C1CC2(C1)C[C@H](N[C@@H]1CCC[NH2+]C1)CC[NH2+]2 ZINC000647547823 384751156 /nfs/dbraw/zinc/75/11/56/384751156.db2.gz GMNMFDBCGOAMJI-VXGBXAGGSA-N 2 0 223.364 1.003 20 0 BDADRP CC[NH+](CC)CCOCC[NH2+][C@@H](C)C1CC1 ZINC000309972668 384751622 /nfs/dbraw/zinc/75/16/22/384751622.db2.gz QHKAEOWYWAMBOA-LBPRGKRZSA-N 2 0 228.380 1.733 20 0 BDADRP Cc1nc2ccccn2c1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000518185875 384779723 /nfs/dbraw/zinc/77/97/23/384779723.db2.gz URQLVXULYGDVHE-WDEREUQCSA-N 2 0 246.358 1.858 20 0 BDADRP CCSCC[NH2+]CCCC[NH+]1CCOCC1 ZINC000309976094 384756786 /nfs/dbraw/zinc/75/67/86/384756786.db2.gz SVALNGKVCMPQNF-UHFFFAOYSA-N 2 0 246.420 1.442 20 0 BDADRP COc1ccsc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000647552541 384761827 /nfs/dbraw/zinc/76/18/27/384761827.db2.gz FYFQPUXOHVKEBY-IUCAKERBSA-N 2 0 228.361 1.972 20 0 BDADRP COC(C)(C)[C@@H](C)[NH2+]C[C@@H](C)N(C)C ZINC000300984357 384762831 /nfs/dbraw/zinc/76/28/31/384762831.db2.gz KWYBDNWZXLIBLX-NXEZZACHSA-N 2 0 202.342 1.340 20 0 BDADRP CCc1ncc(C[NH2+][C@H](C)C[C@H](C)[NH3+])s1 ZINC000647552536 384763033 /nfs/dbraw/zinc/76/30/33/384763033.db2.gz FTMLEWWIAKDSKN-DTWKUNHWSA-N 2 0 227.377 1.921 20 0 BDADRP FC1CCC(C[NH2+]C2CC[NH2+]CC2)CC1 ZINC000647553161 384767284 /nfs/dbraw/zinc/76/72/84/384767284.db2.gz FOHDQQCSQZCHIY-UHFFFAOYSA-N 2 0 214.328 1.856 20 0 BDADRP C(C[C@H]1CCOC1)[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000647553586 384768640 /nfs/dbraw/zinc/76/86/40/384768640.db2.gz DHZILZVEUXDHKZ-STQMWFEESA-N 2 0 238.375 1.677 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](NCc2ccc(C[NH3+])cc2)C1 ZINC000647553165 384768809 /nfs/dbraw/zinc/76/88/09/384768809.db2.gz FSGSNZPUHZKORM-SMDDNHRTSA-N 2 0 233.359 1.233 20 0 BDADRP C[C@@H]([NH2+][C@H]1CSC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000306621582 384786079 /nfs/dbraw/zinc/78/60/79/384786079.db2.gz VYXGLHMQLKNAIT-ZNSHCXBVSA-N 2 0 214.378 1.468 20 0 BDADRP C[C@H]([NH2+][C@H]1CSC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000306621581 384787902 /nfs/dbraw/zinc/78/79/02/384787902.db2.gz VYXGLHMQLKNAIT-YTWAJWBKSA-N 2 0 214.378 1.468 20 0 BDADRP C[C@H]1CC[C@@H](C[NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)O1 ZINC000398121636 384813001 /nfs/dbraw/zinc/81/30/01/384813001.db2.gz RCWGGKXLOSIQRL-XQHKEYJVSA-N 2 0 226.364 1.532 20 0 BDADRP CSC1(C[NH2+][C@H](C)CCC[NH3+])CCC1 ZINC000308642205 384882382 /nfs/dbraw/zinc/88/23/82/384882382.db2.gz DRBOIPMLLXUZMX-SNVBAGLBSA-N 2 0 216.394 1.989 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000084217384 384850421 /nfs/dbraw/zinc/85/04/21/384850421.db2.gz YOKGSJPKNLAOBQ-OLZOCXBDSA-N 2 0 204.317 1.904 20 0 BDADRP COC[C@]1(C[NH2+][C@@H]2CC[C@@H]2C(C)C)CCC[NH2+]1 ZINC000423410417 384857256 /nfs/dbraw/zinc/85/72/56/384857256.db2.gz CXGAIQPDWPYKSN-MGPQQGTHSA-N 2 0 240.391 1.779 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCCOC(F)F ZINC000398240929 384861381 /nfs/dbraw/zinc/86/13/81/384861381.db2.gz WXGCJTBLOKTHRB-UWVGGRQHSA-N 2 0 236.306 1.723 20 0 BDADRP Cn1ccc(C[NH2+]CCC[NH+]2CCCC2)c1 ZINC000085590157 384956820 /nfs/dbraw/zinc/95/68/20/384956820.db2.gz YUOIVHAPPQMHFH-UHFFFAOYSA-N 2 0 221.348 1.601 20 0 BDADRP C[C@@H]([NH2+]CCCOC(F)F)[C@H]1CCCC[NH2+]1 ZINC000398294707 384894491 /nfs/dbraw/zinc/89/44/91/384894491.db2.gz BZFIYTNOPOSMOC-NXEZZACHSA-N 2 0 236.306 1.736 20 0 BDADRP CCOCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127811894 384915794 /nfs/dbraw/zinc/91/57/94/384915794.db2.gz ZWYLMAQYPNRQTA-NWDGAFQWSA-N 2 0 212.337 1.239 20 0 BDADRP CC(C)[C@@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000366598782 384923865 /nfs/dbraw/zinc/92/38/65/384923865.db2.gz SVYPSCFLXWIDKJ-PIGZVRMJSA-N 2 0 240.391 1.560 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC12CC2)C1CC[NH+](C)CC1 ZINC000643907539 384930175 /nfs/dbraw/zinc/93/01/75/384930175.db2.gz RTTJJISXQQUVTG-PWSUYJOCSA-N 2 0 208.349 1.859 20 0 BDADRP Cc1ccc(C[NH2+]CCN2CC[NH2+]CC2)c(C)c1 ZINC000258891477 384942678 /nfs/dbraw/zinc/94/26/78/384942678.db2.gz JNVWSQHMUBPZPZ-UHFFFAOYSA-N 2 0 247.386 1.298 20 0 BDADRP CC[NH+](CC)Cc1ccccc1CNC(N)=[NH2+] ZINC000057887333 384969501 /nfs/dbraw/zinc/96/95/01/384969501.db2.gz MIMSDAPCNZVVDK-UHFFFAOYSA-N 2 0 234.347 1.511 20 0 BDADRP CCC[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177378270 384989328 /nfs/dbraw/zinc/98/93/28/384989328.db2.gz YPPVBTNTOQVUHQ-UHFFFAOYSA-N 2 0 227.396 1.354 20 0 BDADRP CC[N@@H+]1CC[C@H](CNCc2ccns2)C1 ZINC000404421371 384991519 /nfs/dbraw/zinc/99/15/19/384991519.db2.gz CVKJZQWUAYCZKP-SNVBAGLBSA-N 2 0 225.361 1.575 20 0 BDADRP C[C@H](C[NH2+][C@H](C)[C@@H]1CCCO1)C[NH+]1CCCC1 ZINC000310341335 384993103 /nfs/dbraw/zinc/99/31/03/384993103.db2.gz MTOQQUSCADXTHP-MCIONIFRSA-N 2 0 240.391 1.875 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2ccns2)CC1 ZINC000404473145 385018594 /nfs/dbraw/zinc/01/85/94/385018594.db2.gz NEZPKLLHQLPCJO-UHFFFAOYSA-N 2 0 211.334 1.314 20 0 BDADRP COCCC1(C[NH2+]Cc2cnc(C)n2C)CC1 ZINC000518398494 385050564 /nfs/dbraw/zinc/05/05/64/385050564.db2.gz TWSPVTPFRNNYOB-UHFFFAOYSA-N 2 0 237.347 1.635 20 0 BDADRP Cc1ccncc1C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000404773907 385054329 /nfs/dbraw/zinc/05/43/29/385054329.db2.gz KLHKWFYLDOKEDV-NEPJUHHUSA-N 2 0 219.332 1.605 20 0 BDADRP C[N@H+](CCC1CC[NH2+]CC1)CC(C)(C)C[NH3+] ZINC000359224013 385073252 /nfs/dbraw/zinc/07/32/52/385073252.db2.gz SKKOQWQITBLGAG-UHFFFAOYSA-N 3 0 227.396 1.293 20 0 BDADRP C[C@H]1C[C@@H]([NH2+][C@H]2CCCOC2)CCN1C ZINC000309148164 385109584 /nfs/dbraw/zinc/10/95/84/385109584.db2.gz VRXIGMVXZWRJLO-SRVKXCTJSA-N 2 0 212.337 1.238 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCSC)C1 ZINC000177839565 385126392 /nfs/dbraw/zinc/12/63/92/385126392.db2.gz YJWQPNOSRWDJHO-NSHDSACASA-N 2 0 216.394 1.623 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCCN1C ZINC000336699832 385126792 /nfs/dbraw/zinc/12/67/92/385126792.db2.gz OYBDHCWRMSAYON-VXGBXAGGSA-N 2 0 213.369 1.188 20 0 BDADRP CCCCC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000530880377 385132729 /nfs/dbraw/zinc/13/27/29/385132729.db2.gz CDGXJXWIIONBDH-UHFFFAOYSA-N 2 0 243.395 1.128 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000404837767 385097627 /nfs/dbraw/zinc/09/76/27/385097627.db2.gz ASKNTAAGZFPOMS-ZDCRXTMVSA-N 2 0 212.337 1.127 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@H]1CCCCC[C@@H]1[NH3+] ZINC000422715474 385193143 /nfs/dbraw/zinc/19/31/43/385193143.db2.gz MHVAQNMIELSCDK-IHRRRGAJSA-N 2 0 241.423 1.966 20 0 BDADRP CC[NH+](CC)C[C@@H](C)N[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422718764 385193806 /nfs/dbraw/zinc/19/38/06/385193806.db2.gz PZBHVMBBRYYIKK-RDBSUJKOSA-N 2 0 241.423 1.837 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@H](C)[C@@H]2CCOC2)CC1 ZINC000119750450 385195873 /nfs/dbraw/zinc/19/58/73/385195873.db2.gz VMMBPAFPZSAFEO-CHWSQXEVSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@H]1c2cccn2CCN1CCn1ccnc1 ZINC000176797289 385149676 /nfs/dbraw/zinc/14/96/76/385149676.db2.gz QVLWFRMOESQYSE-LBPRGKRZSA-N 2 0 230.315 1.761 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)[C@]1(C)CCCO1 ZINC000559767189 385163896 /nfs/dbraw/zinc/16/38/96/385163896.db2.gz QWXYEGPKTVCWID-IHRRRGAJSA-N 2 0 240.391 1.875 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+]([C@H]3CCCOC3)C2)C1 ZINC000644784225 385170298 /nfs/dbraw/zinc/17/02/98/385170298.db2.gz WKKJNCGJSSBYPI-STQMWFEESA-N 2 0 224.348 1.193 20 0 BDADRP Cc1c(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cnn1C ZINC000163495080 385200978 /nfs/dbraw/zinc/20/09/78/385200978.db2.gz QVGSNOOTPYDJEA-CMPLNLGQSA-N 2 0 236.363 1.145 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+][C@H](C)CCC[NH3+] ZINC000308801636 385175338 /nfs/dbraw/zinc/17/53/38/385175338.db2.gz DVYNUJLIRNIBFM-ZYHUDNBSSA-N 2 0 216.369 1.501 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H]1CCCO1 ZINC000252711421 385208618 /nfs/dbraw/zinc/20/86/18/385208618.db2.gz JLDSDNGIJQPGTL-IJLUTSLNSA-N 2 0 212.337 1.095 20 0 BDADRP C[C@@H](CCC[NH3+])NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000647064694 385210320 /nfs/dbraw/zinc/21/03/20/385210320.db2.gz PVQKFNFGLDTZCN-AAEUAGOBSA-N 2 0 249.358 1.320 20 0 BDADRP C[C@@H](CCC[NH3+])NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000647064696 385211111 /nfs/dbraw/zinc/21/11/11/385211111.db2.gz PVQKFNFGLDTZCN-WCQYABFASA-N 2 0 249.358 1.320 20 0 BDADRP C[C@H](O)CC(C)(C)C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000305768828 385227780 /nfs/dbraw/zinc/22/77/80/385227780.db2.gz LEGUSHLHJSAAHZ-AVGNSLFASA-N 2 0 242.407 1.713 20 0 BDADRP COCC[C@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000045038399 385235306 /nfs/dbraw/zinc/23/53/06/385235306.db2.gz VOZYVQKEKAJHGF-QWRGUYRKSA-N 2 0 202.342 1.341 20 0 BDADRP C[C@@H]([NH3+])CC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000647085192 385249329 /nfs/dbraw/zinc/24/93/29/385249329.db2.gz UOZQCKGVCJPVDZ-YPMHNXCESA-N 2 0 249.358 1.320 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)CCC(C)(C)[NH3+] ZINC000647648804 385249665 /nfs/dbraw/zinc/24/96/65/385249665.db2.gz HUTPWDJFODCUFA-MNOVXSKESA-N 2 0 241.379 1.232 20 0 BDADRP CC(C)[C@](C)(O)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000308959856 385312033 /nfs/dbraw/zinc/31/20/33/385312033.db2.gz FRJLZIAYEYBEKR-NWDGAFQWSA-N 2 0 216.369 1.501 20 0 BDADRP COC[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)C1CC1 ZINC000308903003 385274371 /nfs/dbraw/zinc/27/43/71/385274371.db2.gz KQPVYRUOAKCURK-ZYHUDNBSSA-N 2 0 214.353 1.199 20 0 BDADRP Cc1cncc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000299897817 385286237 /nfs/dbraw/zinc/28/62/37/385286237.db2.gz SKSCISOSDWMJSV-NEPJUHHUSA-N 2 0 219.332 1.559 20 0 BDADRP CO[C@H](C[NH2+]CCC1CC[NH+](C)CC1)C1CC1 ZINC000400136019 385297080 /nfs/dbraw/zinc/29/70/80/385297080.db2.gz DCNGYXSEUOXCGG-CQSZACIVSA-N 2 0 240.391 1.733 20 0 BDADRP COCCC[C@@H](C)[NH2+]C[C@H](C)N(C)C1CC1 ZINC000178784293 385331591 /nfs/dbraw/zinc/33/15/91/385331591.db2.gz HNEKEXWJPGCOGK-NEPJUHHUSA-N 2 0 228.380 1.874 20 0 BDADRP CCC[C@H](C)[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000308989015 385334606 /nfs/dbraw/zinc/33/46/06/385334606.db2.gz VJWUMXPAILWUPA-RYUDHWBXSA-N 2 0 214.353 1.533 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)[C@H]1C ZINC000308988981 385335026 /nfs/dbraw/zinc/33/50/26/385335026.db2.gz NASAMZQSYIJDQR-MDZLAQPJSA-N 2 0 210.365 1.962 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]C[C@@H](C)c1ccccc1 ZINC000308991706 385336082 /nfs/dbraw/zinc/33/60/82/385336082.db2.gz OCZJKDAUXUDCDH-NWDGAFQWSA-N 2 0 206.333 1.975 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCc2ccccc21 ZINC000308992684 385336302 /nfs/dbraw/zinc/33/63/02/385336302.db2.gz OIIAHWAVYQHIOH-ZWNOBZJWSA-N 2 0 204.317 1.858 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCCN1C)C1CC[NH+](C)CC1 ZINC000154648016 385343488 /nfs/dbraw/zinc/34/34/88/385343488.db2.gz FEOZJDKLGFAQGH-GXTWGEPZSA-N 2 0 239.407 1.401 20 0 BDADRP C[NH+](C)C1(CN[C@H]2CCC[C@@H]2C[NH3+])CCC1 ZINC000165169492 385358144 /nfs/dbraw/zinc/35/81/44/385358144.db2.gz ICZJRZDZSFWYFR-NEPJUHHUSA-N 3 0 225.380 1.188 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@H](C)CCCC[NH3+] ZINC000309015372 385371689 /nfs/dbraw/zinc/37/16/89/385371689.db2.gz QUEHMJZUNPMINX-NEPJUHHUSA-N 2 0 216.369 1.645 20 0 BDADRP CO[C@H](C)CC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000309067514 385392538 /nfs/dbraw/zinc/39/25/38/385392538.db2.gz AHCOCIQYCUWGFR-TUAOUCFPSA-N 2 0 214.353 1.341 20 0 BDADRP Cc1nccc(N(CC[NH+](C)C)C(C)C)n1 ZINC000193377190 385394312 /nfs/dbraw/zinc/39/43/12/385394312.db2.gz PGPXFXUTDWIRDM-UHFFFAOYSA-N 2 0 222.336 1.561 20 0 BDADRP Cc1ccc([C@@H](CNC(=O)[C@@H](C)[NH3+])[NH+](C)C)cc1 ZINC000165624988 385404633 /nfs/dbraw/zinc/40/46/33/385404633.db2.gz SETDXFRYBQXMMR-DGCLKSJQSA-N 2 0 249.358 1.061 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC[C@H]1[NH3+] ZINC000647497725 385408354 /nfs/dbraw/zinc/40/83/54/385408354.db2.gz SNSADKUQHBWWJJ-REWJHTLYSA-N 3 0 239.407 1.434 20 0 BDADRP C[C@@H]([NH2+]CCC[NH+](C)C)[C@H]1CCCOC1 ZINC000309088227 385412829 /nfs/dbraw/zinc/41/28/29/385412829.db2.gz AFPNEIYTBQNUKE-NEPJUHHUSA-N 2 0 214.353 1.343 20 0 BDADRP CC(C)N(C)C[C@H](C)[NH2+]C1CCOCC1 ZINC000309114489 385422348 /nfs/dbraw/zinc/42/23/48/385422348.db2.gz PVSLKCYZFKOTHB-NSHDSACASA-N 2 0 214.353 1.484 20 0 BDADRP C[N@H+](C[C@@]1(C)CC[NH2+]C1)[C@@H]1CCSC1 ZINC000062911149 385440255 /nfs/dbraw/zinc/44/02/55/385440255.db2.gz RSARKQKEBHRUND-MNOVXSKESA-N 2 0 214.378 1.423 20 0 BDADRP CC(C)(C)[NH2+]CCN1CC[NH2+]CC1(C)C ZINC000647500388 385444161 /nfs/dbraw/zinc/44/41/61/385444161.db2.gz IISSGPWNIPXRNZ-UHFFFAOYSA-N 2 0 213.369 1.058 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000309174191 385449854 /nfs/dbraw/zinc/44/98/54/385449854.db2.gz MCSKUUHSZTXCMF-TUAOUCFPSA-N 2 0 214.353 1.077 20 0 BDADRP COc1cccc(C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)c1 ZINC000405297012 385456259 /nfs/dbraw/zinc/45/62/59/385456259.db2.gz PJCKGGHHBXHOKQ-OLZOCXBDSA-N 2 0 234.343 1.911 20 0 BDADRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](C)OC)C1 ZINC000182201281 385433991 /nfs/dbraw/zinc/43/39/91/385433991.db2.gz KDEOJENJJJVKTD-CHWSQXEVSA-N 2 0 228.380 1.685 20 0 BDADRP CO[C@H](C)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000182193826 385434032 /nfs/dbraw/zinc/43/40/32/385434032.db2.gz MGQNXKAREBZZKD-OLZOCXBDSA-N 2 0 228.380 1.828 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)[C@H]2[NH2+]CC2(C)C)c1 ZINC000644097366 385462154 /nfs/dbraw/zinc/46/21/54/385462154.db2.gz GKCYKUQRYILTSQ-GFCCVEGCSA-N 2 0 247.342 1.343 20 0 BDADRP CCN1CCC[C@H]([NH2+]C[C@](C)(CC)OC)C1 ZINC000319036717 385539156 /nfs/dbraw/zinc/53/91/56/385539156.db2.gz KMNRHHSACXNLHP-STQMWFEESA-N 2 0 228.380 1.875 20 0 BDADRP Cc1cc(N2CC[C@H]3CC[NH2+][C@H]3C2)cc[nH+]1 ZINC000643031071 385527603 /nfs/dbraw/zinc/52/76/03/385527603.db2.gz GLQCBGKBNORSIB-YPMHNXCESA-N 2 0 217.316 1.578 20 0 BDADRP CC(C)C1CC([NH2+]C[C@@]2(O)CCN(C)C2)C1 ZINC000309364917 385550698 /nfs/dbraw/zinc/55/06/98/385550698.db2.gz PIHHEKPXLGZRPO-BPCQOVAHSA-N 2 0 226.364 1.077 20 0 BDADRP COC1(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)CCCC1 ZINC000319171258 385553371 /nfs/dbraw/zinc/55/33/71/385553371.db2.gz LVVZTFISURXVSW-CHWSQXEVSA-N 2 0 238.375 1.629 20 0 BDADRP COC1(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)CCCC1 ZINC000319171261 385553632 /nfs/dbraw/zinc/55/36/32/385553632.db2.gz LVVZTFISURXVSW-STQMWFEESA-N 2 0 238.375 1.629 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CC1(N(C)C)CCCC1 ZINC000309389319 385559815 /nfs/dbraw/zinc/55/98/15/385559815.db2.gz HITFEWIKQONWDJ-LBPRGKRZSA-N 2 0 227.396 1.578 20 0 BDADRP c1ccc(OCCC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107579257 385570359 /nfs/dbraw/zinc/57/03/59/385570359.db2.gz VDYTZMJYOIMZFY-OKILXGFUSA-N 2 0 246.354 1.607 20 0 BDADRP COCc1cccc(C[NH2+]C[C@@H](C)C[NH3+])c1 ZINC000336649428 385598507 /nfs/dbraw/zinc/59/85/07/385598507.db2.gz DEXPAWZRRHUJMH-NSHDSACASA-N 2 0 222.332 1.517 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCC[C@@H](CO)C1 ZINC000336676849 385606484 /nfs/dbraw/zinc/60/64/84/385606484.db2.gz VQOCUUIBWFFESE-JHJVBQTASA-N 2 0 228.380 1.645 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCC[C@@H](CO)C1 ZINC000336676850 385606717 /nfs/dbraw/zinc/60/67/17/385606717.db2.gz VQOCUUIBWFFESE-UPJWGTAASA-N 2 0 228.380 1.645 20 0 BDADRP CC[C@H](O)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000309491005 385618443 /nfs/dbraw/zinc/61/84/43/385618443.db2.gz XDUYGMMSNYDTNQ-LBPRGKRZSA-N 2 0 228.380 1.610 20 0 BDADRP CC[N@@H+]1CCC[C@H]1CNC(=O)/C=C/c1ncc[nH]1 ZINC000493796012 385620355 /nfs/dbraw/zinc/62/03/55/385620355.db2.gz UZIFMDSFOGLNAD-QRGHLMKCSA-N 2 0 248.330 1.023 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000082645558 385627489 /nfs/dbraw/zinc/62/74/89/385627489.db2.gz ZOSDDKYYVJHOQR-AAEUAGOBSA-N 2 0 219.332 1.641 20 0 BDADRP CCOC[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414848329 385612122 /nfs/dbraw/zinc/61/21/22/385612122.db2.gz GNRNRJKOQLVXAH-TUAOUCFPSA-N 2 0 214.353 1.389 20 0 BDADRP CC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000336724094 385612293 /nfs/dbraw/zinc/61/22/93/385612293.db2.gz BAIVNXGAASJQIW-UMSGYPCISA-N 2 0 226.364 1.220 20 0 BDADRP CC[NH+]1CCC(N[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000414851302 385648957 /nfs/dbraw/zinc/64/89/57/385648957.db2.gz IYTAPQWFCWUDHR-QWHCGFSZSA-N 2 0 239.407 1.448 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000336735814 385717095 /nfs/dbraw/zinc/71/70/95/385717095.db2.gz ONIVPWQLTZZLMI-SRVKXCTJSA-N 2 0 214.353 1.077 20 0 BDADRP C[NH2+]C[C@H](C)CN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000414855125 385698940 /nfs/dbraw/zinc/69/89/40/385698940.db2.gz WHEALRPBFKISBH-MELADBBJSA-N 2 0 241.423 1.742 20 0 BDADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)C1CCC1 ZINC000309586675 385711937 /nfs/dbraw/zinc/71/19/37/385711937.db2.gz RYZJFKFGZFAIHL-NSHDSACASA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CC1(N(C)C)CCC1 ZINC000336684131 385670059 /nfs/dbraw/zinc/67/00/59/385670059.db2.gz KBBVOBJBJDQAMM-NSHDSACASA-N 2 0 213.369 1.188 20 0 BDADRP OCC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000647793916 385731803 /nfs/dbraw/zinc/73/18/03/385731803.db2.gz LXOHRUBRKRYMOM-YNEHKIRRSA-N 2 0 238.375 1.127 20 0 BDADRP C[C@H]([NH2+]CCO)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185763888 385733762 /nfs/dbraw/zinc/73/37/62/385733762.db2.gz CEPUASABVJAJSO-RYUDHWBXSA-N 2 0 226.364 1.221 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@@H]2C[C@@H](O)C2(C)C)CC1 ZINC000129222874 385739108 /nfs/dbraw/zinc/73/91/08/385739108.db2.gz SAMVTZULLWRYJN-CHWSQXEVSA-N 2 0 240.391 1.608 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)CCO)[C@@H](C)C1 ZINC000228397697 385747925 /nfs/dbraw/zinc/74/79/25/385747925.db2.gz AXHAZJCMCNBXRN-TUAOUCFPSA-N 2 0 214.353 1.077 20 0 BDADRP CC1CCC([NH2+]CCN2CC[NH2+]CC2)CC1 ZINC000414862178 385749076 /nfs/dbraw/zinc/74/90/76/385749076.db2.gz GWDOIXMJVXAFPL-UHFFFAOYSA-N 2 0 225.380 1.060 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CC2CCC1CC2 ZINC000336655727 385767066 /nfs/dbraw/zinc/76/70/66/385767066.db2.gz JMKWWALSFVMRQP-PQAZSJQKSA-N 2 0 240.391 1.909 20 0 BDADRP Cc1ncsc1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414865969 385772611 /nfs/dbraw/zinc/77/26/11/385772611.db2.gz ZZQBPJJZIOCTRR-ONGXEEELSA-N 2 0 239.388 1.929 20 0 BDADRP c1n[nH]cc1CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000310972360 385777943 /nfs/dbraw/zinc/77/79/43/385777943.db2.gz RLYOGDNZKLGVFY-KBPBESRZSA-N 2 0 248.374 1.416 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000336704232 385784291 /nfs/dbraw/zinc/78/42/91/385784291.db2.gz QMYRHPLZCISTIK-MXWKQRLJSA-N 2 0 214.353 1.253 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCSC2)CC[NH2+]1 ZINC000414945147 385800838 /nfs/dbraw/zinc/80/08/38/385800838.db2.gz HXTWCVGDDXTAQZ-OUAUKWLOSA-N 2 0 214.378 1.612 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCSC2)CC[NH2+]1 ZINC000414945148 385801009 /nfs/dbraw/zinc/80/10/09/385801009.db2.gz HXTWCVGDDXTAQZ-VWYCJHECSA-N 2 0 214.378 1.612 20 0 BDADRP CC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)C(C)C ZINC000336740424 385802039 /nfs/dbraw/zinc/80/20/39/385802039.db2.gz QGZHIJKSPBIZIT-LBPRGKRZSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccn(C)n1 ZINC000647799764 385802599 /nfs/dbraw/zinc/80/25/99/385802599.db2.gz QDFCBAAQPXBKOB-ZDEQEGDKSA-N 2 0 248.374 1.459 20 0 BDADRP COC[C@]1(C[NH2+]C2CCC(C)CC2)CCC[NH2+]1 ZINC000414948011 385805945 /nfs/dbraw/zinc/80/59/45/385805945.db2.gz WJFJABANWXLLRQ-JXQTWKCFSA-N 2 0 240.391 1.923 20 0 BDADRP COC[C@H](CC(C)C)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000414946659 385809217 /nfs/dbraw/zinc/80/92/17/385809217.db2.gz UQBUCIXKCRSAKJ-RWMBFGLXSA-N 2 0 228.380 1.635 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000336714525 385812608 /nfs/dbraw/zinc/81/26/08/385812608.db2.gz PCJAMCARSXPKSC-ZIAGYGMSSA-N 2 0 241.423 1.968 20 0 BDADRP CSC1(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000336716665 385817449 /nfs/dbraw/zinc/81/74/49/385817449.db2.gz XLCNSDRFGMZOEO-MNOVXSKESA-N 2 0 228.405 1.812 20 0 BDADRP CSC1(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000336716669 385817546 /nfs/dbraw/zinc/81/75/46/385817546.db2.gz XLCNSDRFGMZOEO-QWRGUYRKSA-N 2 0 228.405 1.812 20 0 BDADRP CN(CC[NH+]1CCCC1)CC[NH+]1CCCCC1 ZINC000162500045 385821167 /nfs/dbraw/zinc/82/11/67/385821167.db2.gz ORRRUFMDQNZDHY-UHFFFAOYSA-N 2 0 239.407 1.500 20 0 BDADRP CO[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000226436321 385822730 /nfs/dbraw/zinc/82/27/30/385822730.db2.gz NPYMQABCVAGCPJ-GFCCVEGCSA-N 2 0 212.337 1.097 20 0 BDADRP CCC[NH2+]CC[NH2+][C@@H]1CCCOCC1 ZINC000414868381 385822761 /nfs/dbraw/zinc/82/27/61/385822761.db2.gz KEULOKJBTCCTRQ-LLVKDONJSA-N 2 0 200.326 1.145 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000414952105 385823850 /nfs/dbraw/zinc/82/38/50/385823850.db2.gz IBNZCPGZLTXPKC-VOMCLLRMSA-N 3 0 213.369 1.092 20 0 BDADRP C[NH2+][C@H](C)CNC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000261681365 385826868 /nfs/dbraw/zinc/82/68/68/385826868.db2.gz HOGBHBHQTYRSJS-NQBHXWOUSA-N 2 0 249.358 1.047 20 0 BDADRP CC[NH2+][C@H](C)CN[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000414954779 385829807 /nfs/dbraw/zinc/82/98/07/385829807.db2.gz KWAQZSLNWXVIPT-XQQFMLRXSA-N 2 0 227.396 1.304 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CO1 ZINC000647804192 385841076 /nfs/dbraw/zinc/84/10/76/385841076.db2.gz LEFYQNFLCGFIBB-LAVVOLMRSA-N 2 0 210.321 1.036 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]Cc1ccnn1-c1ccccc1 ZINC000414869799 385842549 /nfs/dbraw/zinc/84/25/49/385842549.db2.gz BGRFQAUNUWCGQY-LBPRGKRZSA-N 2 0 244.342 1.557 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]Cc1cccc2c1NCC2 ZINC000414870657 385848981 /nfs/dbraw/zinc/84/89/81/385848981.db2.gz CCCCUOAITXUDEI-SNVBAGLBSA-N 2 0 219.332 1.339 20 0 BDADRP C[C@@H](C(=O)NC(C)(C)C[NH3+])[C@H]([NH3+])c1ccccc1 ZINC000262499622 385853073 /nfs/dbraw/zinc/85/30/73/385853073.db2.gz GECCTSBMHBXJJA-PWSUYJOCSA-N 2 0 249.358 1.176 20 0 BDADRP COC[C@H](CC(C)C)[NH2+]CC1([NH3+])CCC1 ZINC000414871550 385854022 /nfs/dbraw/zinc/85/40/22/385854022.db2.gz DCEAEYWWKDDTHU-NSHDSACASA-N 2 0 214.353 1.519 20 0 BDADRP OC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647798093 385791426 /nfs/dbraw/zinc/79/14/26/385791426.db2.gz LATASBYMZHQBLB-XGFWRYKXSA-N 2 0 238.375 1.125 20 0 BDADRP COC(C)(C)[C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000336656871 385791822 /nfs/dbraw/zinc/79/18/22/385791822.db2.gz ANCOQNSZEHKFJB-MNOVXSKESA-N 2 0 216.369 1.587 20 0 BDADRP C1[NH2+]C[C@H]2C[C@H]([NH2+][C@H]3CCCOC3)CC[C@@H]12 ZINC000647798151 385792593 /nfs/dbraw/zinc/79/25/93/385792593.db2.gz MOVFYQAHRIOBOL-LOWDOPEQSA-N 2 0 224.348 1.143 20 0 BDADRP CSC1(C[NH2+][C@@H]2CCOC2)CC[NH+](C)CC1 ZINC000336707582 385793970 /nfs/dbraw/zinc/79/39/70/385793970.db2.gz QGQNAMXJCGLTRD-LLVKDONJSA-N 2 0 244.404 1.192 20 0 BDADRP C[C@H](CN1CCCCC1)[NH2+][C@@H](C)CCCC[NH3+] ZINC000336707554 385795104 /nfs/dbraw/zinc/79/51/04/385795104.db2.gz LVORLQUNATYFTJ-UONOGXRCSA-N 2 0 241.423 1.968 20 0 BDADRP Cc1ccc(CCC[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cn1 ZINC000414946346 385797694 /nfs/dbraw/zinc/79/76/94/385797694.db2.gz TVKDOWBRXDIPJN-IUODEOHRSA-N 2 0 247.386 1.910 20 0 BDADRP C[C@@H](CC[NH3+])[NH2+]Cc1cnc(N(C)C)s1 ZINC000414874527 385884607 /nfs/dbraw/zinc/88/46/07/385884607.db2.gz BDZITJTZYYDLNV-QMMMGPOBSA-N 2 0 228.365 1.036 20 0 BDADRP [NH3+]CC[C@H]1CCCC[N@@H+]1C[C@H]1CCCOC1 ZINC000250800508 385928579 /nfs/dbraw/zinc/92/85/79/385928579.db2.gz BIPLKOCMJCGGSZ-CHWSQXEVSA-N 2 0 226.364 1.616 20 0 BDADRP Cc1ccc2ncc(C[NH2+]C[C@@H](C)C[NH3+])n2c1 ZINC000414875560 385893289 /nfs/dbraw/zinc/89/32/89/385893289.db2.gz JWCRGHRDKGLSIR-NSHDSACASA-N 2 0 232.331 1.327 20 0 BDADRP C[C@@H]1C[N@H+](CCCC2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000647844877 385894883 /nfs/dbraw/zinc/89/48/83/385894883.db2.gz YOWRHUNDKFGXFH-OCCSQVGLSA-N 3 0 239.407 1.435 20 0 BDADRP CCOc1ccccc1C[NH2+]C[C@@H](C)C[NH3+] ZINC000414875887 385903235 /nfs/dbraw/zinc/90/32/35/385903235.db2.gz KMHYRCUUCJHLNI-NSHDSACASA-N 2 0 222.332 1.770 20 0 BDADRP NC[C@H]1CCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000647853426 385904230 /nfs/dbraw/zinc/90/42/30/385904230.db2.gz CZUMMYCWUYOWLB-CYBMUJFWSA-N 2 0 225.380 1.189 20 0 BDADRP COC(=O)c1ccc(C[NH2+][C@H](C)CC[NH3+])cc1 ZINC000414876399 385906481 /nfs/dbraw/zinc/90/64/81/385906481.db2.gz DHWUGWOFQNUUPD-SNVBAGLBSA-N 2 0 236.315 1.300 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414964717 385908832 /nfs/dbraw/zinc/90/88/32/385908832.db2.gz MRZAFJYGDSKQNT-RDBSUJKOSA-N 3 0 239.407 1.639 20 0 BDADRP C[N@H+](C[C@H]1CCSC1)[C@@H]1CCC[NH2+]CC1 ZINC000226447317 385913019 /nfs/dbraw/zinc/91/30/19/385913019.db2.gz AULVOYLFWMYDLB-VXGBXAGGSA-N 2 0 228.405 1.813 20 0 BDADRP Cc1cccn2c(C[NH2+][C@H](C)CC[NH3+])cnc12 ZINC000414877534 385923256 /nfs/dbraw/zinc/92/32/56/385923256.db2.gz GCHSMXPDGJFLBI-LLVKDONJSA-N 2 0 232.331 1.470 20 0 BDADRP Cc1ccc(O)c(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)n1 ZINC000414966879 385923806 /nfs/dbraw/zinc/92/38/06/385923806.db2.gz WQXBXNQLGAIMEH-MWLCHTKSSA-N 2 0 235.331 1.183 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)CCC(C)(C)[NH3+])C1 ZINC000647818357 385870339 /nfs/dbraw/zinc/87/03/39/385870339.db2.gz PVXIAIUCKHMVLY-GHMZBOCLSA-N 2 0 241.379 1.090 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@@H]3CCC[NH2+]C3)C[C@H]21 ZINC000342098410 385927919 /nfs/dbraw/zinc/92/79/19/385927919.db2.gz IHDKJKQWHYEEPL-AAVRWANBSA-N 3 0 237.391 1.045 20 0 BDADRP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H](C)C[NH3+])CC2 ZINC000414873681 385877708 /nfs/dbraw/zinc/87/77/08/385877708.db2.gz HSPSCQZOVMTXCT-SMDDNHRTSA-N 2 0 248.370 1.737 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@H]2CC[C@@H](O)C2)CC1 ZINC000189316095 385976844 /nfs/dbraw/zinc/97/68/44/385976844.db2.gz CKDRTOWTSCMYMD-GXTWGEPZSA-N 2 0 240.391 1.611 20 0 BDADRP CC[C@H]([NH3+])CNC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000295151805 385978358 /nfs/dbraw/zinc/97/83/58/385978358.db2.gz CSLHTGACHDYOFC-KGYLQXTDSA-N 2 0 249.358 1.176 20 0 BDADRP CC[NH+](CC)CCC[N@H+](C)C1CCC(O)CC1 ZINC000338371383 385979831 /nfs/dbraw/zinc/97/98/31/385979831.db2.gz HNAFDSNRZDCLKW-UHFFFAOYSA-N 2 0 242.407 1.954 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(C)CCOCC1 ZINC000335039007 385931898 /nfs/dbraw/zinc/93/18/98/385931898.db2.gz KCHMVBHZAPESJR-CHWSQXEVSA-N 2 0 240.391 1.781 20 0 BDADRP Cc1cc(N)cc(C[NH2+]CC2CC[NH2+]CC2)c1 ZINC000414968014 385933475 /nfs/dbraw/zinc/93/34/75/385933475.db2.gz QYZQHKINSZDZKI-UHFFFAOYSA-N 2 0 233.359 1.666 20 0 BDADRP C[C@H](C[NH3+])CN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000414878167 385934063 /nfs/dbraw/zinc/93/40/63/385934063.db2.gz NXTQKIURUHKRDL-JHJVBQTASA-N 2 0 227.396 1.482 20 0 BDADRP C[C@H](CC[NH3+])[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000414878245 385936202 /nfs/dbraw/zinc/93/62/02/385936202.db2.gz GVLVQXXLPHHCTG-LLVKDONJSA-N 2 0 244.342 1.904 20 0 BDADRP CC[NH2+][C@H](C)CN[C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000414968966 385944698 /nfs/dbraw/zinc/94/46/98/385944698.db2.gz YUIWJQGILMCMCX-TUAOUCFPSA-N 2 0 213.369 1.105 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000251240674 385960054 /nfs/dbraw/zinc/96/00/54/385960054.db2.gz ITXSGTHRSHGYMT-SYQHCUMBSA-N 2 0 240.391 1.658 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@H](O)C(C)(C)C1 ZINC000338344572 385973337 /nfs/dbraw/zinc/97/33/37/385973337.db2.gz DBDYERXABYYZQA-ZDUSSCGKSA-N 2 0 242.407 1.811 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC1=CCCOC1 ZINC000335015763 385973642 /nfs/dbraw/zinc/97/36/42/385973642.db2.gz AEAIDKZZPYBWTL-OLZOCXBDSA-N 2 0 224.348 1.583 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000414148305 385998001 /nfs/dbraw/zinc/99/80/01/385998001.db2.gz RWAXPOQXPYSROJ-XGFWRYKXSA-N 2 0 240.391 1.872 20 0 BDADRP CN(CC[C@H]1CCC[N@@H+]1C)Cc1ccccn1 ZINC000295253402 385999448 /nfs/dbraw/zinc/99/94/48/385999448.db2.gz ZILUBEVBFJYJPF-CQSZACIVSA-N 2 0 233.359 1.998 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)CCCC[NH3+])CC1 ZINC000336721961 386004131 /nfs/dbraw/zinc/00/41/31/386004131.db2.gz SPQHZTDGSBUXMB-ZDUSSCGKSA-N 3 0 241.423 1.966 20 0 BDADRP CCOC[C@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000336770756 386007588 /nfs/dbraw/zinc/00/75/88/386007588.db2.gz VWMKRYRGQGHEGA-NSHDSACASA-N 2 0 212.337 1.263 20 0 BDADRP Cc1[nH]nc2ncc(C[NH2+][C@H](C)CC[NH3+])cc12 ZINC000414882434 386013840 /nfs/dbraw/zinc/01/38/40/386013840.db2.gz MCLNWWZSVPCJCA-MRVPVSSYSA-N 2 0 233.319 1.093 20 0 BDADRP CCCC[C@@H](COC)[NH2+]C[C@H](C)C[NH3+] ZINC000414882814 386021550 /nfs/dbraw/zinc/02/15/50/386021550.db2.gz UORRVYCWGRXHIY-MNOVXSKESA-N 2 0 202.342 1.376 20 0 BDADRP COC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000414182134 386022023 /nfs/dbraw/zinc/02/20/23/386022023.db2.gz MYSRDXCEWUHUGW-GXTWGEPZSA-N 2 0 240.391 1.733 20 0 BDADRP COCC1(C[NH2+][C@@H]2CCC[C@H]2C)CC[NH2+]CC1 ZINC000414976635 386026184 /nfs/dbraw/zinc/02/61/84/386026184.db2.gz PNMPCCGAMVWOGP-CHWSQXEVSA-N 2 0 240.391 1.781 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCOC2(C)C)C1 ZINC000414188404 386027098 /nfs/dbraw/zinc/02/70/98/386027098.db2.gz QFLTYORVAOBDQN-CHWSQXEVSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@@H]1C[C@@H](C[NH2+]C[C@H](C)C[NH3+])CCO1 ZINC000414884805 386049740 /nfs/dbraw/zinc/04/97/40/386049740.db2.gz WJCNVZZFWVJLJZ-GRYCIOLGSA-N 2 0 214.353 1.376 20 0 BDADRP C[C@@H](C[NH+]1CCCCC1)N[C@H]1CCC[NH2+]CC1 ZINC000129106086 386051034 /nfs/dbraw/zinc/05/10/34/386051034.db2.gz ZYRFIKIQNONVFH-KBPBESRZSA-N 2 0 239.407 1.593 20 0 BDADRP [NH3+]CC1(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000414662647 386102918 /nfs/dbraw/zinc/10/29/18/386102918.db2.gz ZLWHZOCEOBVYLV-ZDUSSCGKSA-N 3 0 237.391 1.189 20 0 BDADRP CO[C@H](C)C[NH2+]C1CCN(c2ccccn2)CC1 ZINC000223888368 386107912 /nfs/dbraw/zinc/10/79/12/386107912.db2.gz RKAKXQBUBWQLCX-GFCCVEGCSA-N 2 0 249.358 1.675 20 0 BDADRP CCCC[N@H+](CCO)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414666177 386118411 /nfs/dbraw/zinc/11/84/11/386118411.db2.gz FWXYHRVGHBGOGE-STQMWFEESA-N 2 0 228.380 1.469 20 0 BDADRP COC[C@H](CC(C)C)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414889968 386120361 /nfs/dbraw/zinc/12/03/61/386120361.db2.gz MANGWRMWVYVWDR-RYUDHWBXSA-N 2 0 214.353 1.374 20 0 BDADRP Cc1ccc(OCC[N@@H+](C)C[C@@H]2CC[NH2+]C2)cc1 ZINC000647873396 386120970 /nfs/dbraw/zinc/12/09/70/386120970.db2.gz DUSVAMPZBKPIBV-CQSZACIVSA-N 2 0 248.370 1.915 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CCCCN1CC[NH2+]C(C)(C)C ZINC000414647777 386062398 /nfs/dbraw/zinc/06/23/98/386062398.db2.gz AEYZNNBUTPBUOP-NEPJUHHUSA-N 2 0 227.396 1.576 20 0 BDADRP CO[C@@H](C)[C@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000336753532 386064118 /nfs/dbraw/zinc/06/41/18/386064118.db2.gz GXPPLVZSPYUQFS-QWRGUYRKSA-N 2 0 212.337 1.261 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@@H](COC)CC(C)C ZINC000414981376 386066023 /nfs/dbraw/zinc/06/60/23/386066023.db2.gz BLNHQCNIMNQSPX-GHMZBOCLSA-N 2 0 202.342 1.374 20 0 BDADRP C[NH2+]C[C@H]1CCCN1C[C@H]([NH3+])CC(C)C ZINC000414653626 386071071 /nfs/dbraw/zinc/07/10/71/386071071.db2.gz AYJLCZHYWTUPTH-VXGBXAGGSA-N 2 0 213.369 1.044 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN(C)CC[C@H]([NH3+])C(C)C ZINC000414660123 386092112 /nfs/dbraw/zinc/09/21/12/386092112.db2.gz MGKNRFPSJYGNLX-OLZOCXBDSA-N 2 0 229.412 1.665 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000414662229 386099454 /nfs/dbraw/zinc/09/94/54/386099454.db2.gz QRKVHUGOXHQXJQ-AGIUHOORSA-N 2 0 227.396 1.419 20 0 BDADRP CC[C@H]([NH3+])CN[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000414991041 386151393 /nfs/dbraw/zinc/15/13/93/386151393.db2.gz PYQHYIGQDZKPHE-RRFJBIMHSA-N 2 0 247.386 1.807 20 0 BDADRP CC[C@@H]1C[C@@H](C[NH2+][C@@H]2CC[NH2+]C2)CCO1 ZINC000414892762 386153875 /nfs/dbraw/zinc/15/38/75/386153875.db2.gz YIGZYLQZMDPUTK-QJPTWQEYSA-N 2 0 212.337 1.143 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+][C@@H]2CC[NH2+]C2)CCO1 ZINC000414892761 386154210 /nfs/dbraw/zinc/15/42/10/386154210.db2.gz YIGZYLQZMDPUTK-IJLUTSLNSA-N 2 0 212.337 1.143 20 0 BDADRP COCCNCC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000414893375 386161865 /nfs/dbraw/zinc/16/18/65/386161865.db2.gz YEWVRLSMOYTNDX-OAHLLOKOSA-N 2 0 248.370 1.370 20 0 BDADRP C[C@H]1C[C@@H](C[N@H+](CCCCO)C2CC2)CC[NH2+]1 ZINC000414687256 386169875 /nfs/dbraw/zinc/16/98/75/386169875.db2.gz BYENULWURVXEGC-STQMWFEESA-N 2 0 240.391 1.611 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@@H]1CCOC1 ZINC000414994718 386172318 /nfs/dbraw/zinc/17/23/18/386172318.db2.gz MMVZCMWXDMLQDS-BFKVFCTQSA-N 2 0 238.375 1.519 20 0 BDADRP Nc1ccc(NC(=O)CC[C@H]2CCC[NH2+]2)cn1 ZINC000296473945 386177453 /nfs/dbraw/zinc/17/74/53/386177453.db2.gz PQFYYDVMCQFWLO-SECBINFHSA-N 2 0 234.303 1.135 20 0 BDADRP C[C@H]1C[C@@H](C[N@H+](C)CCn2cccn2)CC[NH2+]1 ZINC000414692178 386183405 /nfs/dbraw/zinc/18/34/05/386183405.db2.gz KFEIQNRJJRTTAH-STQMWFEESA-N 2 0 236.363 1.203 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCCSC1 ZINC000414996502 386184057 /nfs/dbraw/zinc/18/40/57/386184057.db2.gz OOMDOSSOJZMRKC-IJLVLRJLSA-N 2 0 240.416 1.988 20 0 BDADRP C[NH+](C)C[C@@](C)(O)CNc1[nH+]ccc2[nH]ccc21 ZINC000647874269 386134218 /nfs/dbraw/zinc/13/42/18/386134218.db2.gz VBWNXEAOILPAQU-ZDUSSCGKSA-N 2 0 248.330 1.287 20 0 BDADRP C[C@@H](Cn1ccnc1)[NH2+]C1CCC(O)CC1 ZINC000235146681 386139629 /nfs/dbraw/zinc/13/96/29/386139629.db2.gz KEALUPJJDVQUOG-UNXYVOJBSA-N 2 0 223.320 1.165 20 0 BDADRP c1ccc([C@@H]2CN(C[C@H]3CC[NH2+]C3)CCO2)cc1 ZINC000647874792 386142680 /nfs/dbraw/zinc/14/26/80/386142680.db2.gz YRPJBQFGPBGACM-ZFWWWQNUSA-N 2 0 246.354 1.669 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCOC[C@@H]2C2CC2)CC[NH2+]1 ZINC000414700962 386201750 /nfs/dbraw/zinc/20/17/50/386201750.db2.gz KJOHRLCGKPNLHE-MBNYWOFBSA-N 2 0 238.375 1.485 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](CCOCC2CC2)C1 ZINC000430619605 386203717 /nfs/dbraw/zinc/20/37/17/386203717.db2.gz ABAAYGUYBJZPOK-ZDUSSCGKSA-N 2 0 226.364 1.344 20 0 BDADRP CC(C)n1nccc1C[NH2+][C@@H](C)CC[NH3+] ZINC000414896796 386207762 /nfs/dbraw/zinc/20/77/62/386207762.db2.gz PWNHYSVZWRPCSU-JTQLQIEISA-N 2 0 210.325 1.291 20 0 BDADRP CC[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000339012225 386210286 /nfs/dbraw/zinc/21/02/86/386210286.db2.gz WGFRVINCPZRPLK-XQQFMLRXSA-N 2 0 228.380 1.562 20 0 BDADRP C[N@H+](CCNC[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000132259788 386229665 /nfs/dbraw/zinc/22/96/65/386229665.db2.gz IHNSAKQCDLTBGY-CYBMUJFWSA-N 2 0 239.407 1.450 20 0 BDADRP [NH3+]CCC[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000414713014 386229681 /nfs/dbraw/zinc/22/96/81/386229681.db2.gz VCTCVEXDXCKAIY-CQSZACIVSA-N 2 0 233.359 1.912 20 0 BDADRP COCC(C)(C)C[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415001702 386230410 /nfs/dbraw/zinc/23/04/10/386230410.db2.gz LFCSATHGFCMPLS-NWDGAFQWSA-N 2 0 228.380 1.766 20 0 BDADRP C[C@@H](O)[C@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414712775 386230641 /nfs/dbraw/zinc/23/06/41/386230641.db2.gz OLUJMGAYDYQPAY-LPWJVIDDSA-N 2 0 226.364 1.077 20 0 BDADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)O ZINC000339096373 386244525 /nfs/dbraw/zinc/24/45/25/386244525.db2.gz LXPSYKMCRJPCMG-MELADBBJSA-N 2 0 242.407 1.857 20 0 BDADRP COc1ccccc1/C=C\C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000347094434 386246965 /nfs/dbraw/zinc/24/69/65/386246965.db2.gz HHYYMVHFVUWPEK-RYWCDNDXSA-N 2 0 246.354 1.989 20 0 BDADRP Cc1ccncc1C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415002815 386249372 /nfs/dbraw/zinc/24/93/72/386249372.db2.gz MMOVOKVKSONJHD-OCCSQVGLSA-N 2 0 233.359 1.997 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)CCO1 ZINC000297385594 386251883 /nfs/dbraw/zinc/25/18/83/386251883.db2.gz AXDZYJKUBAXBAJ-DGCLKSJQSA-N 2 0 245.326 1.991 20 0 BDADRP COC1CC([NH2+]C2CC[NH+](C3CCC3)CC2)C1 ZINC000347104649 386252474 /nfs/dbraw/zinc/25/24/74/386252474.db2.gz OJVUKOXMLJPHKN-UHFFFAOYSA-N 2 0 238.375 1.770 20 0 BDADRP COC[C@@H](C)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000297417989 386253967 /nfs/dbraw/zinc/25/39/67/386253967.db2.gz DKJLPEKLBQCURL-SNVBAGLBSA-N 2 0 219.288 1.459 20 0 BDADRP CC[N@H+](CC[C@@H]1CCC[NH+]1C)[C@@H]1CCOC1 ZINC000336647227 386258834 /nfs/dbraw/zinc/25/88/34/386258834.db2.gz FKFUREGGPURJRD-QWHCGFSZSA-N 2 0 226.364 1.582 20 0 BDADRP CCC[C@](C)(CO)[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414696246 386197041 /nfs/dbraw/zinc/19/70/41/386197041.db2.gz BJORURJIBNTUET-JHJVBQTASA-N 2 0 228.380 1.515 20 0 BDADRP Cc1ccc(CCN2CCC[C@@H]([NH3+])C2)cc1 ZINC000057939519 386280495 /nfs/dbraw/zinc/28/04/95/386280495.db2.gz NFDCHHAEBPORSQ-CQSZACIVSA-N 2 0 218.344 1.961 20 0 BDADRP C[C@@H](O)CCC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000336663626 386284693 /nfs/dbraw/zinc/28/46/93/386284693.db2.gz CPZMNYRPNJOMGG-VXGBXAGGSA-N 2 0 214.353 1.031 20 0 BDADRP CC(C)C[C@@H]([NH3+])CNC[C@@]1(C)CCC[NH2+]C1 ZINC000414900862 386291131 /nfs/dbraw/zinc/29/11/31/386291131.db2.gz FIUPLEHMORATGV-OLZOCXBDSA-N 2 0 227.396 1.339 20 0 BDADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000236649216 386295627 /nfs/dbraw/zinc/29/56/27/386295627.db2.gz GINDQIBPYMWFRR-CYBMUJFWSA-N 2 0 249.358 1.143 20 0 BDADRP C[N@H+](CCCn1ccnc1)[C@H]1CCCOC1 ZINC000336667854 386297817 /nfs/dbraw/zinc/29/78/17/386297817.db2.gz HAKLNEPQYPLJFS-LBPRGKRZSA-N 2 0 223.320 1.384 20 0 BDADRP CO[C@H](C)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000336660653 386299306 /nfs/dbraw/zinc/29/93/06/386299306.db2.gz AWVBAMRFZSYMHN-GFCCVEGCSA-N 2 0 228.380 1.826 20 0 BDADRP C[NH+](C)C[C@@H]1CCN(Cc2ccc(F)cn2)C1 ZINC000276344154 386305895 /nfs/dbraw/zinc/30/58/95/386305895.db2.gz IULXEOLATOGDTE-NSHDSACASA-N 2 0 237.322 1.604 20 0 BDADRP C[C@H](O)CC[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000336674107 386310109 /nfs/dbraw/zinc/31/01/09/386310109.db2.gz LICCXRZADTWJOH-LBPRGKRZSA-N 2 0 228.380 1.421 20 0 BDADRP C[C@H]1C[C@H](C[N@H+](C)CC2(CO)CC2)CC[NH2+]1 ZINC000414739220 386322604 /nfs/dbraw/zinc/32/26/04/386322604.db2.gz KDBUXVZEQOJIQB-NWDGAFQWSA-N 2 0 226.364 1.079 20 0 BDADRP COC1CCC([NH2+]C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000414900022 386265541 /nfs/dbraw/zinc/26/55/41/386265541.db2.gz CZACTXXIQAQAHZ-RUXDESIVSA-N 2 0 240.391 1.923 20 0 BDADRP CC[C@H]1C[C@H](C[N@H+](C)C2CC[NH2+]CC2)CCO1 ZINC000347163274 386266516 /nfs/dbraw/zinc/26/65/16/386266516.db2.gz IPJTXCJWFNQGOG-OCCSQVGLSA-N 2 0 240.391 1.875 20 0 BDADRP CC[N@H+](C)[C@@H](C(=O)NCC[NH2+]C)c1ccccc1 ZINC000236885671 386324029 /nfs/dbraw/zinc/32/40/29/386324029.db2.gz XGSFDANIMPWQJO-CYBMUJFWSA-N 2 0 249.358 1.015 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000414744855 386340498 /nfs/dbraw/zinc/34/04/98/386340498.db2.gz QHKWDNZGWMOVIU-KBPBESRZSA-N 2 0 241.423 1.632 20 0 BDADRP COC1CCC([NH2+][C@H]2CCCC[NH2+]C2)CC1 ZINC000335267473 386349511 /nfs/dbraw/zinc/34/95/11/386349511.db2.gz HXCSUDFZHXJPMF-CPCZMJQVSA-N 2 0 226.364 1.676 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+]CC[C@H]2CCC[NH2+]2)CCO1 ZINC000414904080 386349589 /nfs/dbraw/zinc/34/95/89/386349589.db2.gz LADDIWKUNDOHBY-MGPQQGTHSA-N 2 0 240.391 1.923 20 0 BDADRP [NH3+]CCCC[NH2+]Cc1cccc2c[nH]nc21 ZINC000414904786 386354563 /nfs/dbraw/zinc/35/45/63/386354563.db2.gz NJKXXEFQUOLUNX-UHFFFAOYSA-N 2 0 218.304 1.391 20 0 BDADRP CC[C@]1(C)COCC[N@@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414748613 386362198 /nfs/dbraw/zinc/36/21/98/386362198.db2.gz WWCPMOMKRHWRFU-MGPQQGTHSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@H](C)C[C@H]1[C@H](C)O ZINC000414750900 386377835 /nfs/dbraw/zinc/37/78/35/386377835.db2.gz ZDDNRPZPXHNTBR-XUXIUFHCSA-N 2 0 242.407 1.841 20 0 BDADRP CC(C)COCC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000336697441 386381368 /nfs/dbraw/zinc/38/13/68/386381368.db2.gz SSWRIFNTCPBFLE-AWEZNQCLSA-N 2 0 242.407 1.933 20 0 BDADRP C[N@H+]1CC=C(C[NH2+]C[C@@H]2CCCOC2)CC1 ZINC000336775165 386384261 /nfs/dbraw/zinc/38/42/61/386384261.db2.gz YFPZWUQFDLTWEB-ZDUSSCGKSA-N 2 0 224.348 1.265 20 0 BDADRP C[C@@H]([NH3+])CN(CCC[NH3+])CC1CCCC1 ZINC000336732282 386385504 /nfs/dbraw/zinc/38/55/04/386385504.db2.gz FQTPXAVKTHUBAO-LLVKDONJSA-N 2 0 213.369 1.175 20 0 BDADRP CCOCC[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000336677398 386327277 /nfs/dbraw/zinc/32/72/77/386327277.db2.gz NTPWAXYIYZZFNV-UHFFFAOYSA-N 2 0 228.380 1.687 20 0 BDADRP C[C@H]1C[C@H](C[N@H+](C)Cc2cc[nH]n2)CC[NH2+]1 ZINC000414740228 386330137 /nfs/dbraw/zinc/33/01/37/386330137.db2.gz KVCUMBPMKKRQIL-WDEREUQCSA-N 2 0 222.336 1.230 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)C(C)(C)C)C1 ZINC000336677908 386330585 /nfs/dbraw/zinc/33/05/85/386330585.db2.gz ACYQAHLJMIWIHS-CHWSQXEVSA-N 2 0 242.407 1.667 20 0 BDADRP C[C@@H]1C[C@@H](C[N@H+](C)Cc2cc[nH]n2)CC[NH2+]1 ZINC000414740223 386331328 /nfs/dbraw/zinc/33/13/28/386331328.db2.gz KVCUMBPMKKRQIL-MNOVXSKESA-N 2 0 222.336 1.230 20 0 BDADRP CC(C)[NH+]1CCC([N@@H+](C)CCC[C@H](C)O)CC1 ZINC000336683912 386332062 /nfs/dbraw/zinc/33/20/62/386332062.db2.gz FKWLGBVINWEKDP-ZDUSSCGKSA-N 2 0 242.407 1.952 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC000230045311 386335795 /nfs/dbraw/zinc/33/57/95/386335795.db2.gz PLVZZJICBWFQJI-MELADBBJSA-N 2 0 231.343 1.641 20 0 BDADRP CO[C@H](C)CC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000336754447 386439728 /nfs/dbraw/zinc/43/97/28/386439728.db2.gz HIBQMXHUHBQYMI-UTUOFQBUSA-N 2 0 214.353 1.484 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)C(C)C ZINC000336754340 386440142 /nfs/dbraw/zinc/44/01/42/386440142.db2.gz FTHGAZVMTZZLOV-JHJVBQTASA-N 2 0 228.380 1.587 20 0 BDADRP COCC(C)(C)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414767636 386440538 /nfs/dbraw/zinc/44/05/38/386440538.db2.gz KABOOVQSKPKLRW-BETUJISGSA-N 2 0 240.391 1.590 20 0 BDADRP COc1cc(C[NH2+]C2CCC([NH3+])CC2)ccn1 ZINC000094088933 386444597 /nfs/dbraw/zinc/44/45/97/386444597.db2.gz SPNNVMOVRXREHI-UHFFFAOYSA-N 2 0 235.331 1.450 20 0 BDADRP C[C@@H]1C[C@@H](C[N@H+](C)[C@H]2CCC[NH2+]CC2)CC[NH2+]1 ZINC000414753676 386388604 /nfs/dbraw/zinc/38/86/04/386388604.db2.gz QPLUXLMVDWURAZ-RDBSUJKOSA-N 2 0 239.407 1.448 20 0 BDADRP CC(C)CO[C@H]1CC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647891476 386394093 /nfs/dbraw/zinc/39/40/93/386394093.db2.gz IOUUNAKUFZMHJR-OLZOCXBDSA-N 2 0 226.364 1.343 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000414754620 386396620 /nfs/dbraw/zinc/39/66/20/386396620.db2.gz GILNVYLFAJETRO-AVGNSLFASA-N 2 0 227.396 1.384 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(C)CCOC2)[C@@H](C)C1 ZINC000347431523 386399836 /nfs/dbraw/zinc/39/98/36/386399836.db2.gz ODMAMDIQBDJWDJ-MELADBBJSA-N 2 0 240.391 1.733 20 0 BDADRP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000647992260 386451413 /nfs/dbraw/zinc/45/14/13/386451413.db2.gz YDSSBHHKPOZCPP-RDBSUJKOSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H]1CCN(Cc2cnc(N)s2)[C@H](C[NH3+])C1 ZINC000414770660 386451585 /nfs/dbraw/zinc/45/15/85/386451585.db2.gz PIRMJAWHZLLPMA-BDAKNGLRSA-N 2 0 240.376 1.115 20 0 BDADRP Cc1cnc(C[NH+]2CCC(C[NH+](C)C)CC2)cn1 ZINC000336708407 386414998 /nfs/dbraw/zinc/41/49/98/386414998.db2.gz LEINIUYWDFLUDP-UHFFFAOYSA-N 2 0 248.374 1.559 20 0 BDADRP Cc1cccc(C[NH+]2CCN(C[C@@H](C)[NH3+])CC2)c1 ZINC000442664467 386417532 /nfs/dbraw/zinc/41/75/32/386417532.db2.gz WLIPITRCNKTBCM-CQSZACIVSA-N 2 0 247.386 1.460 20 0 BDADRP CO[C@H](C)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000336710705 386425800 /nfs/dbraw/zinc/42/58/00/386425800.db2.gz LKOXHGATAWNKGG-TZMCWYRMSA-N 2 0 240.391 1.685 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])[C@H](C)C1 ZINC000415009702 386427359 /nfs/dbraw/zinc/42/73/59/386427359.db2.gz FOJBMTNAHXYUJO-RDBSUJKOSA-N 2 0 241.423 1.824 20 0 BDADRP C[C@H](CCCO)[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353528143 386469220 /nfs/dbraw/zinc/46/92/20/386469220.db2.gz NKWPJCSRBQYUNP-AAVRWANBSA-N 2 0 240.391 1.610 20 0 BDADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC[C@H](C)O)C1 ZINC000336732590 386471427 /nfs/dbraw/zinc/47/14/27/386471427.db2.gz ZTIQETXGFGDPML-KBPBESRZSA-N 2 0 242.407 1.811 20 0 BDADRP [NH3+]CC1(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000414775039 386473505 /nfs/dbraw/zinc/47/35/05/386473505.db2.gz GBARUHLFJMYRAF-QWHCGFSZSA-N 2 0 237.391 1.047 20 0 BDADRP C(C[C@H]1CCC[NH2+]1)[NH2+][C@H]1CCCSC1 ZINC000414912529 386475811 /nfs/dbraw/zinc/47/58/11/386475811.db2.gz YKKPPDVOWBYLIK-MNOVXSKESA-N 2 0 214.378 1.614 20 0 BDADRP CC[C@@H]1C[N@H+](Cc2ccnc(N)c2)CC[C@H]1[NH3+] ZINC000647934737 386478356 /nfs/dbraw/zinc/47/83/56/386478356.db2.gz OFUWKJUCWQLYBA-VXGBXAGGSA-N 2 0 234.347 1.053 20 0 BDADRP CC(C)[C@@H](CO)[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000157146971 386478865 /nfs/dbraw/zinc/47/88/65/386478865.db2.gz RBOFRNOMOOBDPF-NQBHXWOUSA-N 2 0 226.364 1.218 20 0 BDADRP CC(C)[C@@H](CO)[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000157146838 386479002 /nfs/dbraw/zinc/47/90/02/386479002.db2.gz RBOFRNOMOOBDPF-GMXVVIOVSA-N 2 0 226.364 1.218 20 0 BDADRP COc1cccc2c1CC[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])C2 ZINC000415011289 386488138 /nfs/dbraw/zinc/48/81/38/386488138.db2.gz HLQQOGSWCYKBFK-MDZLAQPJSA-N 2 0 248.370 1.878 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)[C@H](C)[NH3+])CC1CCOCC1 ZINC000415011817 386492135 /nfs/dbraw/zinc/49/21/35/386492135.db2.gz IGZYQLKXJOFOTO-SRVKXCTJSA-N 2 0 228.380 1.765 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415015746 386499996 /nfs/dbraw/zinc/49/99/96/386499996.db2.gz ZFBIQBHIISJZMI-FOUMNBMASA-N 2 0 208.349 1.620 20 0 BDADRP Cc1ccc(F)cc1CN[C@H](C)[C@@H](C)[NH3+] ZINC000415017688 386502866 /nfs/dbraw/zinc/50/28/66/386502866.db2.gz QKBRCYBPDWGHDN-NXEZZACHSA-N 2 0 210.296 1.959 20 0 BDADRP C[C@@H]([NH3+])[C@@H](C)NCc1ccn(-c2ccccc2)n1 ZINC000415017346 386502968 /nfs/dbraw/zinc/50/29/68/386502968.db2.gz PTPDETHFYODDON-VXGBXAGGSA-N 2 0 244.342 1.698 20 0 BDADRP C[C@@H]([NH3+])[C@H](C)NCc1ccc2c(c1)ncn2C ZINC000415016983 386503715 /nfs/dbraw/zinc/50/37/15/386503715.db2.gz OUIOXFHLSWZENS-ZJUUUORDSA-N 2 0 232.331 1.399 20 0 BDADRP COc1cc(CN[C@H](C)[C@@H](C)[NH3+])ccc1C ZINC000415017695 386503814 /nfs/dbraw/zinc/50/38/14/386503814.db2.gz QKDDVASKIGNERX-GHMZBOCLSA-N 2 0 222.332 1.829 20 0 BDADRP CC(C)n1nccc1C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415050322 386506581 /nfs/dbraw/zinc/50/65/81/386506581.db2.gz YMFZLMOBDQFSOL-RYUDHWBXSA-N 2 0 236.363 1.681 20 0 BDADRP C([C@@H]1CC[NH2+]C1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899192 386510005 /nfs/dbraw/zinc/51/00/05/386510005.db2.gz CGSUNCAMWPRBDG-RDBSUJKOSA-N 2 0 237.391 1.060 20 0 BDADRP Cn1ccnc1C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415025491 386514082 /nfs/dbraw/zinc/51/40/82/386514082.db2.gz QGGOKNZMSDKYFG-HAQNSBGRSA-N 2 0 236.363 1.275 20 0 BDADRP C[C@H](C[NH2+]C[C@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000415032684 386518321 /nfs/dbraw/zinc/51/83/21/386518321.db2.gz GIPGUTFZZXELNJ-UKRRQHHQSA-N 2 0 248.370 1.758 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C[C@H]1C ZINC000415030617 386518366 /nfs/dbraw/zinc/51/83/66/386518366.db2.gz CSBSBZFMPXPUNB-YIYPIFLZSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H](C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)CC1CCOCC1 ZINC000415032089 386519298 /nfs/dbraw/zinc/51/92/98/386519298.db2.gz HIWVUFDVNWLIKI-ZZVYKPCYSA-N 2 0 238.375 1.247 20 0 BDADRP C([NH2+][C@H]1CCC[C@H]1C1CC1)[C@H]1C[NH2+]CCCO1 ZINC000415034835 386520944 /nfs/dbraw/zinc/52/09/44/386520944.db2.gz IECFDTBYURULQZ-RDBSUJKOSA-N 2 0 238.375 1.533 20 0 BDADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CCO ZINC000336780076 386523246 /nfs/dbraw/zinc/52/32/46/386523246.db2.gz QIUADXXNXZEOLU-OLZOCXBDSA-N 2 0 228.380 1.469 20 0 BDADRP CC(C)(O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977953 386576921 /nfs/dbraw/zinc/57/69/21/386576921.db2.gz KDOCRFBKWNXLRR-OLZOCXBDSA-N 2 0 240.391 1.469 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)CC(C)C ZINC000417363043 386578045 /nfs/dbraw/zinc/57/80/45/386578045.db2.gz LDUYGKWIVYQHFW-MELADBBJSA-N 2 0 242.407 1.977 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+][C@@H](C)C1CCOCC1 ZINC000415076269 386581785 /nfs/dbraw/zinc/58/17/85/386581785.db2.gz ARXZBRRYNOXFCJ-AAEUAGOBSA-N 2 0 228.380 1.765 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000414803748 386598489 /nfs/dbraw/zinc/59/84/89/386598489.db2.gz NZDIFYBNOWLVKH-CHWSQXEVSA-N 2 0 225.380 1.093 20 0 BDADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)[C@@H]1CCOC1 ZINC000453404239 386588794 /nfs/dbraw/zinc/58/87/94/386588794.db2.gz PJJTXSQWQCWIGB-QWHCGFSZSA-N 2 0 240.391 1.875 20 0 BDADRP CCN1CCCC[C@@H]1C[NH2+]CC1CC[NH2+]CC1 ZINC000415080794 386590913 /nfs/dbraw/zinc/59/09/13/386590913.db2.gz MAUQAWJXZSKTSN-CQSZACIVSA-N 2 0 239.407 1.450 20 0 BDADRP Cn1cncc1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000335421850 386593963 /nfs/dbraw/zinc/59/39/63/386593963.db2.gz GAXXCEDDDYQMBD-PWSUYJOCSA-N 2 0 221.304 1.031 20 0 BDADRP [NH3+]C1CCC([NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)CC1 ZINC000415083104 386594210 /nfs/dbraw/zinc/59/42/10/386594210.db2.gz FFRMJKMSVHKQJD-YAWVXEGQSA-N 2 0 238.375 1.804 20 0 BDADRP Cc1noc(C)c1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000415084607 386596105 /nfs/dbraw/zinc/59/61/05/386596105.db2.gz GXYFFPQMGCOIEO-UHFFFAOYSA-N 2 0 237.347 1.899 20 0 BDADRP C[NH+](C)CC1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000062911893 386531703 /nfs/dbraw/zinc/53/17/03/386531703.db2.gz HTLRVMZNXGHYBH-AWEZNQCLSA-N 3 0 239.407 1.260 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CC[NH2+]C(C)(C)C1 ZINC000415060196 386541409 /nfs/dbraw/zinc/54/14/09/386541409.db2.gz YMLZJJOFZMTTFA-LLVKDONJSA-N 2 0 213.369 1.044 20 0 BDADRP c1cc2c(c(C[NH2+]CCC[NH2+]C3CC3)c1)NCC2 ZINC000415064627 386544217 /nfs/dbraw/zinc/54/42/17/386544217.db2.gz DDJGFCMGRVBGGW-UHFFFAOYSA-N 2 0 245.370 1.886 20 0 BDADRP Cc1ncc(C[NH2+]CCCC[NH+](C)C)cn1 ZINC000336780554 386545174 /nfs/dbraw/zinc/54/51/74/386545174.db2.gz RQJWWPPEZKWGOH-UHFFFAOYSA-N 2 0 222.336 1.216 20 0 BDADRP C[C@H](CC1CCCCC1)C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000415064447 386546069 /nfs/dbraw/zinc/54/60/69/386546069.db2.gz CNXNYCCVZWHIKI-OCCSQVGLSA-N 2 0 242.407 1.844 20 0 BDADRP C([C@@H]1CC[NH2+]C1)[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000647995246 386546549 /nfs/dbraw/zinc/54/65/49/386546549.db2.gz IZWXZKPPCASQOD-MGPQQGTHSA-N 2 0 238.375 1.487 20 0 BDADRP Cc1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)on1 ZINC000063200604 386547535 /nfs/dbraw/zinc/54/75/35/386547535.db2.gz YYHJEEFAXHBUHE-CQSZACIVSA-N 2 0 249.358 1.947 20 0 BDADRP CC[C@H]1C[C@H](C[NH2+]CCC[NH2+]C2CC2)CCO1 ZINC000415066940 386548902 /nfs/dbraw/zinc/54/89/02/386548902.db2.gz JQTTUBCWHKSOQD-OCCSQVGLSA-N 2 0 240.391 1.923 20 0 BDADRP NC[C@H]([NH2+]C1CCC([NH3+])CC1)C1CCCC1 ZINC000415068963 386550401 /nfs/dbraw/zinc/55/04/01/386550401.db2.gz RXGKMQWFLLZWNV-BPCQOVAHSA-N 2 0 225.380 1.363 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CCO[C@@H](C)C1)C[NH+]1CCCC1 ZINC000070361847 386550948 /nfs/dbraw/zinc/55/09/48/386550948.db2.gz IDQAXAAGGKVOFZ-HZSPNIEDSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1cccnc1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000415084022 386597413 /nfs/dbraw/zinc/59/74/13/386597413.db2.gz QQOVEXMHEVENBF-UHFFFAOYSA-N 2 0 233.359 1.997 20 0 BDADRP Cn1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cn1 ZINC000063197956 386556919 /nfs/dbraw/zinc/55/69/19/386556919.db2.gz RKUPVEJQJWVVIM-AWEZNQCLSA-N 2 0 248.374 1.384 20 0 BDADRP CO[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH2+]CC1 ZINC000415073377 386558500 /nfs/dbraw/zinc/55/85/00/386558500.db2.gz AZQFVKZGOLJJHJ-VXGBXAGGSA-N 2 0 212.337 1.286 20 0 BDADRP CCC(O)(CC)C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000332058914 386558788 /nfs/dbraw/zinc/55/87/88/386558788.db2.gz YBEHPSONIZJKOL-VXGBXAGGSA-N 2 0 228.380 1.787 20 0 BDADRP CC(C)C[C@H]([NH3+])CNCCC[NH2+]C1CC1 ZINC000415072959 386560250 /nfs/dbraw/zinc/56/02/50/386560250.db2.gz XPOCLALLCCELII-NSHDSACASA-N 2 0 213.369 1.092 20 0 BDADRP CC[N@@H+]1CCCC[C@H]1CNC1CC[NH2+]CC1 ZINC000415073372 386561308 /nfs/dbraw/zinc/56/13/08/386561308.db2.gz AZKMKFMVMMGREZ-ZDUSSCGKSA-N 2 0 225.380 1.202 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC000415073550 386564257 /nfs/dbraw/zinc/56/42/57/386564257.db2.gz NPQCICIGZDHHSX-JHJVBQTASA-N 3 0 225.380 1.106 20 0 BDADRP CC[C@@H]1C[C@@H](C[NH2+]C[C@@H]([NH3+])C(C)C)CCO1 ZINC000414796178 386566066 /nfs/dbraw/zinc/56/60/66/386566066.db2.gz NSVWXZBLWPFQPZ-YNEHKIRRSA-N 2 0 228.380 1.765 20 0 BDADRP CCN1CCCC[C@@H]1C[NH2+]C1CCC([NH3+])CC1 ZINC000415075424 386568161 /nfs/dbraw/zinc/56/81/61/386568161.db2.gz FHLGAPHGWSNRJU-JXQTWKCFSA-N 2 0 239.407 1.720 20 0 BDADRP COCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976215 386572717 /nfs/dbraw/zinc/57/27/17/386572717.db2.gz LMRYDXZFTHANDG-QWHCGFSZSA-N 2 0 226.364 1.344 20 0 BDADRP c1ccc2c(c1)CC[C@@H]([NH2+]C[C@H]1CC[NH2+]C1)CO2 ZINC000335496846 386620521 /nfs/dbraw/zinc/62/05/21/386620521.db2.gz QGBFXDBGARQMLW-GXTWGEPZSA-N 2 0 246.354 1.579 20 0 BDADRP C[C@]1(C[NH2+]CCc2ccccn2)CC[NH2+]C1 ZINC000415104838 386624869 /nfs/dbraw/zinc/62/48/69/386624869.db2.gz LJEPUIOIJPEMKR-CYBMUJFWSA-N 2 0 219.332 1.213 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+]Cc2cccnc2)CC[NH2+]1 ZINC000415106599 386627603 /nfs/dbraw/zinc/62/76/03/386627603.db2.gz MXDIDRNYSCKLCJ-VXGBXAGGSA-N 2 0 219.332 1.559 20 0 BDADRP Nc1ncc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])s1 ZINC000414810663 386629773 /nfs/dbraw/zinc/62/97/73/386629773.db2.gz VNBLQAXBNVSJET-SCZZXKLOSA-N 2 0 240.376 1.163 20 0 BDADRP COCC(C)(C)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415132758 386639782 /nfs/dbraw/zinc/63/97/82/386639782.db2.gz ULGPPXCKXJKGKV-NEPJUHHUSA-N 2 0 228.380 1.576 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)NCC[NH+]1CCCCC1 ZINC000049575517 386646196 /nfs/dbraw/zinc/64/61/96/386646196.db2.gz DCJXAZCQGYIBBT-CYBMUJFWSA-N 2 0 241.379 1.106 20 0 BDADRP CC[C@@H]([NH2+]C1CCC([NH3+])CC1)[C@H]1CCCO1 ZINC000415084795 386599124 /nfs/dbraw/zinc/59/91/24/386599124.db2.gz RNWJSJUSEOKYBT-FIYWTHMPSA-N 2 0 226.364 1.804 20 0 BDADRP CC(C)([NH3+])C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000414803201 386600787 /nfs/dbraw/zinc/60/07/87/386600787.db2.gz LXRXVIKOZOYXSN-UHFFFAOYSA-N 2 0 247.386 1.982 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[NH2+]CC1(CCO)CCCC1 ZINC000415085712 386604565 /nfs/dbraw/zinc/60/45/65/386604565.db2.gz RACMYYYYYSBHTH-CYBMUJFWSA-N 2 0 242.407 1.892 20 0 BDADRP CC(C)C[C@@H]([NH3+])CNCC[N@H+](C)C1CCCC1 ZINC000415087198 386606779 /nfs/dbraw/zinc/60/67/79/386606779.db2.gz VNJGSHMXKYUYAR-CYBMUJFWSA-N 2 0 241.423 1.824 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H](CCO)C(C)(C)C ZINC000336645909 386607947 /nfs/dbraw/zinc/60/79/47/386607947.db2.gz DIBVTKJYHCHHRN-VXGBXAGGSA-N 2 0 230.396 1.891 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000520230549 386608392 /nfs/dbraw/zinc/60/83/92/386608392.db2.gz TZFZJCAJQLLQSP-ZJUUUORDSA-N 2 0 235.331 1.001 20 0 BDADRP C([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)[C@@H]1CCC[NH2+]C1 ZINC000415091791 386610489 /nfs/dbraw/zinc/61/04/89/386610489.db2.gz QWVXIGOCAXUFGH-AAVRWANBSA-N 2 0 238.375 1.533 20 0 BDADRP CC(C)OCCC[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC000415090965 386610938 /nfs/dbraw/zinc/61/09/38/386610938.db2.gz ZZYSACIIPXTKPK-LBPRGKRZSA-N 2 0 214.353 1.391 20 0 BDADRP Cc1cn[nH]c1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000414807853 386612425 /nfs/dbraw/zinc/61/24/25/386612425.db2.gz RPNJBTPMTTYTEF-MNOVXSKESA-N 2 0 222.336 1.325 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)C1CCOCC1)[C@@H]1CCC[NH2+]C1 ZINC000415093232 386612617 /nfs/dbraw/zinc/61/26/17/386612617.db2.gz UUNIPZKUVZDQST-OUCADQQQSA-N 2 0 240.391 1.779 20 0 BDADRP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H]1CCO ZINC000415096381 386614768 /nfs/dbraw/zinc/61/47/68/386614768.db2.gz PQGKNQMXOTYLSA-RYUDHWBXSA-N 2 0 214.353 1.207 20 0 BDADRP C1[C@@H]2[C@H]1CCC[C@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000415108450 386617747 /nfs/dbraw/zinc/61/77/47/386617747.db2.gz KTCYEEQFMIQBIT-UMSGYPCISA-N 2 0 208.349 1.907 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+]CCCn2ccnc2)CC[NH2+]1 ZINC000415107190 386618189 /nfs/dbraw/zinc/61/81/89/386618189.db2.gz NMBKVQGTYCOIFX-CHWSQXEVSA-N 2 0 236.363 1.251 20 0 BDADRP CN(CC[NH3+])Cc1cc2ccccc2[nH]c1=O ZINC000415107718 386618326 /nfs/dbraw/zinc/61/83/26/386618326.db2.gz LKVHZACVFDEZQI-UHFFFAOYSA-N 2 0 231.299 1.331 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+]2)CCO1 ZINC000414820376 386664670 /nfs/dbraw/zinc/66/46/70/386664670.db2.gz AQEYXLVJKWJDSN-UPJWGTAASA-N 2 0 226.364 1.532 20 0 BDADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000414818650 386668587 /nfs/dbraw/zinc/66/85/87/386668587.db2.gz WIMSXGGYWHYUPE-WFASDCNBSA-N 3 0 247.386 1.938 20 0 BDADRP C1C[C@@]2(CO1)CCC[N@@H+]([C@H]1CCC[NH2+]CC1)C2 ZINC000335525689 386668918 /nfs/dbraw/zinc/66/89/18/386668918.db2.gz PSBLZUOIWQIBSG-KBPBESRZSA-N 2 0 238.375 1.631 20 0 BDADRP CC[C@@H]1C[C@@H](C[NH2+]C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000414831095 386709931 /nfs/dbraw/zinc/70/99/31/386709931.db2.gz PMYCZCLQALARBV-BFHYXJOUSA-N 2 0 240.391 1.781 20 0 BDADRP Cc1ccc(O)c(C[NH2+]CC[C@@H]2CCC[NH2+]C2)n1 ZINC000414827415 386695320 /nfs/dbraw/zinc/69/53/20/386695320.db2.gz BQEMZTYOYPLIMD-LBPRGKRZSA-N 2 0 249.358 1.575 20 0 BDADRP CC[NH2+]CCNCc1cnc2cc(C)ccn12 ZINC000414830492 386705294 /nfs/dbraw/zinc/70/52/94/386705294.db2.gz OCMROBXNYXBVMI-UHFFFAOYSA-N 2 0 232.331 1.342 20 0 BDADRP CCC[C@H]1[C@@H](C)CCC[N@@H+]1CCOCC[NH3+] ZINC000357071225 386707378 /nfs/dbraw/zinc/70/73/78/386707378.db2.gz JNGSCYUIFPOOLH-STQMWFEESA-N 2 0 228.380 1.862 20 0 BDADRP CO[C@@]1(C)C[C@H]([N@H+](C)CCOCC[NH3+])C1(C)C ZINC000357080441 386708741 /nfs/dbraw/zinc/70/87/41/386708741.db2.gz MIWHJIDWNDBMTM-AAEUAGOBSA-N 2 0 244.379 1.097 20 0 BDADRP C(C[C@@H]1CCC[NH2+]C1)[NH2+]C1CCSCC1 ZINC000414836891 386732495 /nfs/dbraw/zinc/73/24/95/386732495.db2.gz JRQZZAHZAAHKGP-NSHDSACASA-N 2 0 228.405 1.861 20 0 BDADRP CCS[C@H]1CC[C@H]([N@H+](C)CCOCC[NH3+])C1 ZINC000357090227 386715548 /nfs/dbraw/zinc/71/55/48/386715548.db2.gz ZZFYZHLQKHADOA-RYUDHWBXSA-N 2 0 246.420 1.568 20 0 BDADRP CN(CCC[NH2+]CC1(C)CCC1)CC[NH+](C)C ZINC000623087853 386724977 /nfs/dbraw/zinc/72/49/77/386724977.db2.gz LKUVSRFWXMWMEA-UHFFFAOYSA-N 2 0 241.423 1.650 20 0 BDADRP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000044528006 386725169 /nfs/dbraw/zinc/72/51/69/386725169.db2.gz GHTUYFUNKGGGOK-CYBMUJFWSA-N 2 0 246.354 1.792 20 0 BDADRP CC(C)C[C@H](CN)[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414842107 386750017 /nfs/dbraw/zinc/75/00/17/386750017.db2.gz NRVMWZIWQALHIZ-FRRDWIJNSA-N 2 0 227.396 1.338 20 0 BDADRP CC1(C)CCC[NH2+][C@H]1CNCC1(C[NH3+])CC1 ZINC000414931608 386763496 /nfs/dbraw/zinc/76/34/96/386763496.db2.gz ROJWDQSBDMHQMZ-NSHDSACASA-N 2 0 225.380 1.093 20 0 BDADRP C[C@@H](C[NH3+])C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000357229920 386743098 /nfs/dbraw/zinc/74/30/98/386743098.db2.gz WNFBRHXMXPFORA-WDEREUQCSA-N 2 0 243.395 1.064 20 0 BDADRP Cc1noc(C)c1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125266881 386770403 /nfs/dbraw/zinc/77/04/03/386770403.db2.gz XPJKLPCOWUGVSN-YUTCNCBUSA-N 2 0 249.358 1.851 20 0 BDADRP C[NH+](C)CCc1ccc(NC(=O)CCC[NH3+])cc1 ZINC000269263330 386770764 /nfs/dbraw/zinc/77/07/64/386770764.db2.gz WWXSVYDVECHLDL-UHFFFAOYSA-N 2 0 249.358 1.468 20 0 BDADRP C[C@@H]1CC(O)C[C@@H](C)[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000191163409 386771268 /nfs/dbraw/zinc/77/12/68/386771268.db2.gz BSCBFNJPFCSRII-UPJWGTAASA-N 2 0 240.391 1.704 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+][C@H]1CCc2ccccc2C1 ZINC000414844447 386772514 /nfs/dbraw/zinc/77/25/14/386772514.db2.gz RJZSDCMHHRVKKB-DOMZBBRYSA-N 2 0 232.371 1.989 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCc2ccccc2C1 ZINC000414844450 386773153 /nfs/dbraw/zinc/77/31/53/386773153.db2.gz RJZSDCMHHRVKKB-WFASDCNBSA-N 2 0 232.371 1.989 20 0 BDADRP CC[N@H+](CC(C)C)C[C@@H](O)CN(C)C1CC1 ZINC000336666697 386773707 /nfs/dbraw/zinc/77/37/07/386773707.db2.gz QAVVYOREGWOMTH-ZDUSSCGKSA-N 2 0 228.380 1.419 20 0 BDADRP Cc1nc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)oc1C ZINC000125352011 386800813 /nfs/dbraw/zinc/80/08/13/386800813.db2.gz OXPGAPWMRFQOPS-XQQFMLRXSA-N 2 0 249.358 1.851 20 0 BDADRP CC(C)N(C)C[C@@H](C)[NH2+][C@H]1CCOC[C@@H]1C ZINC000336671118 386812981 /nfs/dbraw/zinc/81/29/81/386812981.db2.gz NQPPLSCHZVCXIA-XQQFMLRXSA-N 2 0 228.380 1.730 20 0 BDADRP C[C@H](NC[C@@H]1[NH2+]CCCC1(C)C)[C@H]1CC[NH2+]C1 ZINC000414938428 386853302 /nfs/dbraw/zinc/85/33/02/386853302.db2.gz YMUOOWKILIKGEF-AVGNSLFASA-N 2 0 239.407 1.352 20 0 BDADRP C(C[N@@H+]1CC[C@@]2(CCOC2)C1)[C@@H]1CC[NH2+]C1 ZINC000334783902 386842120 /nfs/dbraw/zinc/84/21/20/386842120.db2.gz DMSPJYNOFPQBCC-QWHCGFSZSA-N 2 0 224.348 1.098 20 0 BDADRP Cc1cccc(-c2n[nH]cc2CN[C@H](C)C[NH3+])c1 ZINC000414937063 386843372 /nfs/dbraw/zinc/84/33/72/386843372.db2.gz WIHOXHPYYPGGMI-LLVKDONJSA-N 2 0 244.342 1.822 20 0 BDADRP C[C@H](NC[C@H]1[NH2+]CCCC1(C)C)[C@H]1CC[NH2+]C1 ZINC000414938429 386852229 /nfs/dbraw/zinc/85/22/29/386852229.db2.gz YMUOOWKILIKGEF-RWMBFGLXSA-N 2 0 239.407 1.352 20 0 BDADRP CC1([NH2+]Cc2cccs2)CC[NH2+]CC1 ZINC000334844890 386892855 /nfs/dbraw/zinc/89/28/55/386892855.db2.gz WAFHKBITZOTUOA-UHFFFAOYSA-N 2 0 210.346 1.980 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000331528717 386864733 /nfs/dbraw/zinc/86/47/33/386864733.db2.gz DAWKCDDJGRJXEC-BFHYXJOUSA-N 3 0 239.407 1.768 20 0 BDADRP C1[C@@H]([NH2+]C2CCSCC2)[C@@H]1C1CC[NH2+]CC1 ZINC000334833241 386872354 /nfs/dbraw/zinc/87/23/54/386872354.db2.gz NTUQSGKHZKNOGK-QWHCGFSZSA-N 2 0 240.416 1.860 20 0 BDADRP COC[C@]1(C[NH2+][C@H]2CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000414940100 386877819 /nfs/dbraw/zinc/87/78/19/386877819.db2.gz HBCCTIZHRZNGMO-HZSPNIEDSA-N 2 0 240.391 1.923 20 0 BDADRP C[NH2+]CCN(C)Cc1cccc2c[nH]nc21 ZINC000346677819 386881376 /nfs/dbraw/zinc/88/13/76/386881376.db2.gz LRDHSWKDRQNWRI-UHFFFAOYSA-N 2 0 218.304 1.214 20 0 BDADRP CC(=O)Nc1cccc(CN2CCC[NH2+]CC2)c1 ZINC000335758115 386885889 /nfs/dbraw/zinc/88/58/89/386885889.db2.gz WNIYSUXAKQWADH-UHFFFAOYSA-N 2 0 247.342 1.440 20 0 BDADRP CCC([NH3+])(CC)CN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000331910100 386923791 /nfs/dbraw/zinc/92/37/91/386923791.db2.gz FWPYGYCPFMVXHP-NWDGAFQWSA-N 2 0 227.396 1.482 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000331912454 386923812 /nfs/dbraw/zinc/92/38/12/386923812.db2.gz GBDFRPZGBARYSJ-AGIUHOORSA-N 2 0 228.380 1.787 20 0 BDADRP Cc1n[nH]cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000334866741 386924029 /nfs/dbraw/zinc/92/40/29/386924029.db2.gz CFBNXJIRPGGVLR-TZMCWYRMSA-N 2 0 248.374 1.682 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@H]1CCCC[NH2+]C1 ZINC000332042160 386947474 /nfs/dbraw/zinc/94/74/74/386947474.db2.gz ULTUWSHPIUBHIU-RYUDHWBXSA-N 2 0 213.369 1.092 20 0 BDADRP Cn1cnc2cc(C[N@H+](C)C3CC([NH3+])C3)ccc21 ZINC000334869039 386928794 /nfs/dbraw/zinc/92/87/94/386928794.db2.gz OGZHPINIEWQIRH-UHFFFAOYSA-N 2 0 244.342 1.495 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C2Cc3ccccc3C2)CC[NH2+]1 ZINC000334871104 386931321 /nfs/dbraw/zinc/93/13/21/386931321.db2.gz XVUIFEPVDMYONK-BXUZGUMPSA-N 2 0 230.355 1.884 20 0 BDADRP CC1(C)CCC([NH2+]C[C@H]2C[NH2+]CCCO2)CC1 ZINC000334873989 386934907 /nfs/dbraw/zinc/93/49/07/386934907.db2.gz MINWVGIUSHPSDK-CYBMUJFWSA-N 2 0 240.391 1.923 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2COC(C)(C)C2)C1 ZINC000417886012 386935883 /nfs/dbraw/zinc/93/58/83/386935883.db2.gz VKNLISGVEGAXJN-CHWSQXEVSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC000161711733 386936060 /nfs/dbraw/zinc/93/60/60/386936060.db2.gz VULVPFOTTLWLPB-CMPLNLGQSA-N 2 0 205.305 1.251 20 0 BDADRP CC(C)[C@@](C)(O)C[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000352902643 386954345 /nfs/dbraw/zinc/95/43/45/386954345.db2.gz NSVDETZQSVHPGH-BNOWGMLFSA-N 2 0 240.391 1.466 20 0 BDADRP [NH3+][C@@H]1C[C@@H](NC[C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000332316101 386972017 /nfs/dbraw/zinc/97/20/17/386972017.db2.gz YMACLVFONBKDDI-KCPJHIHWSA-N 2 0 245.370 1.720 20 0 BDADRP CC[C@H](NCC1([NH3+])CCC1)[C@@H]1CCCC[NH2+]1 ZINC000332487464 386983538 /nfs/dbraw/zinc/98/35/38/386983538.db2.gz RUIAOROZUNEGHS-RYUDHWBXSA-N 2 0 225.380 1.378 20 0 BDADRP C[N@@H+]1CC[C@@]2(CCN(Cc3cccc(O)c3)C2)C1 ZINC000292747704 386998295 /nfs/dbraw/zinc/99/82/95/386998295.db2.gz IDMJGJJHQWQAQM-OAHLLOKOSA-N 2 0 246.354 1.920 20 0 BDADRP Cc1cnc(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)nc1 ZINC000358392796 386948316 /nfs/dbraw/zinc/94/83/16/386948316.db2.gz ZCLJHGQAJQIMSP-STQMWFEESA-N 2 0 248.374 1.400 20 0 BDADRP CS[C@H](CO)[C@H](C)[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000332054061 386949891 /nfs/dbraw/zinc/94/98/91/386949891.db2.gz WTICUNPXQWCCEV-WHOHXGKFSA-N 2 0 246.420 1.348 20 0 BDADRP CC(C)C[C@@H](C[NH3+])N[C@H]1CCC[NH2+]CC1 ZINC000332054028 386950212 /nfs/dbraw/zinc/95/02/12/386950212.db2.gz WTGGYPUWXRBXPD-RYUDHWBXSA-N 2 0 213.369 1.092 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000332060579 386951918 /nfs/dbraw/zinc/95/19/18/386951918.db2.gz YQQRXKDDQFKMIE-GRYCIOLGSA-N 2 0 214.353 1.253 20 0 BDADRP CCOc1ccc(CN2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107576730 387033209 /nfs/dbraw/zinc/03/32/09/387033209.db2.gz YAVKIKFJLVEZGG-OKILXGFUSA-N 2 0 246.354 1.737 20 0 BDADRP COc1cccc2c1CCN(C[C@@H](C)[NH3+])CC2 ZINC000334965994 387047090 /nfs/dbraw/zinc/04/70/90/387047090.db2.gz CYONRLJVGNXZQR-LLVKDONJSA-N 2 0 234.343 1.443 20 0 BDADRP C[C@@H]([NH3+])CN1CC[C@@H](n2ncc3ccccc32)C1 ZINC000334966839 387049351 /nfs/dbraw/zinc/04/93/51/387049351.db2.gz IBBAOUSMWIBKES-DGCLKSJQSA-N 2 0 244.342 1.630 20 0 BDADRP COCC[C@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000336764473 387050913 /nfs/dbraw/zinc/05/09/13/387050913.db2.gz QANCZEAQNUGHCY-NSHDSACASA-N 2 0 212.337 1.263 20 0 BDADRP CCC[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000334968182 387051359 /nfs/dbraw/zinc/05/13/59/387051359.db2.gz LWBJKXZIGFARQD-OLZOCXBDSA-N 2 0 226.364 1.615 20 0 BDADRP CC[C@H](O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000369654301 387057718 /nfs/dbraw/zinc/05/77/18/387057718.db2.gz CPUYYNNVOGNHHE-RFGFWPKPSA-N 2 0 238.375 1.173 20 0 BDADRP C[C@@H]([NH3+])CCC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000070315025 387063591 /nfs/dbraw/zinc/06/35/91/387063591.db2.gz QROIDWRQEBUHEL-NEPJUHHUSA-N 2 0 241.379 1.104 20 0 BDADRP c1ccc(CC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000088300999 387017837 /nfs/dbraw/zinc/01/78/37/387017837.db2.gz PBYNZHYSVIFBBA-ZIAGYGMSSA-N 2 0 216.328 1.380 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000333328228 387028031 /nfs/dbraw/zinc/02/80/31/387028031.db2.gz VRYVJRMXTKUFJI-VXGBXAGGSA-N 2 0 238.375 1.399 20 0 BDADRP CC/C=C\CC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639766359 387070570 /nfs/dbraw/zinc/07/05/70/387070570.db2.gz NPBKERUJJDFPDD-GXMNPTEKSA-N 2 0 240.391 1.731 20 0 BDADRP CC/C=C/CC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639766360 387070637 /nfs/dbraw/zinc/07/06/37/387070637.db2.gz NPBKERUJJDFPDD-VBROQKIQSA-N 2 0 240.391 1.731 20 0 BDADRP CC/C=C/CC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639766358 387071633 /nfs/dbraw/zinc/07/16/33/387071633.db2.gz NPBKERUJJDFPDD-GJBLVYBDSA-N 2 0 240.391 1.731 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCCOC2)CC1 ZINC000070650287 387072053 /nfs/dbraw/zinc/07/20/53/387072053.db2.gz DREONOZIMAQDGF-ZDUSSCGKSA-N 2 0 226.364 1.628 20 0 BDADRP CN(CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000359302126 387082739 /nfs/dbraw/zinc/08/27/39/387082739.db2.gz IWIFBQKSPQIPCG-KBPBESRZSA-N 2 0 245.370 1.274 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000423300536 387131398 /nfs/dbraw/zinc/13/13/98/387131398.db2.gz RSKUFBNKNKGQEG-YNEHKIRRSA-N 2 0 227.396 1.434 20 0 BDADRP CCC[C@H]([NH3+])C(=O)NCC[N@H+](C)C1CCCC1 ZINC000071378754 387102220 /nfs/dbraw/zinc/10/22/20/387102220.db2.gz IVWHCQIKCFKMCA-LBPRGKRZSA-N 2 0 241.379 1.104 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000423300533 387131630 /nfs/dbraw/zinc/13/16/30/387131630.db2.gz RSKUFBNKNKGQEG-JHJVBQTASA-N 2 0 227.396 1.434 20 0 BDADRP COCCCC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000228707436 387111798 /nfs/dbraw/zinc/11/17/98/387111798.db2.gz CSPMDSIGJWSKKP-AWEZNQCLSA-N 2 0 240.391 1.877 20 0 BDADRP CN(C[C@H](O)C[N@H+](C)[C@H]1CC1(C)C)C1CC1 ZINC000352365140 387113993 /nfs/dbraw/zinc/11/39/93/387113993.db2.gz NOHDYTIHTFZISF-RYUDHWBXSA-N 2 0 226.364 1.172 20 0 BDADRP C[N@@H+](C[C@H]1CCCOC1)C[C@H]1CCC[NH2+]C1 ZINC000250379995 387114797 /nfs/dbraw/zinc/11/47/97/387114797.db2.gz JBSFWFKUWFUXIL-QWHCGFSZSA-N 2 0 226.364 1.344 20 0 BDADRP C[NH+](C)C[C@](C)(O)C[NH2+]C1CCC(C)(C)CC1 ZINC000228725132 387121452 /nfs/dbraw/zinc/12/14/52/387121452.db2.gz VYSBHOWZJYLYTR-CQSZACIVSA-N 2 0 242.407 1.857 20 0 BDADRP Cc1cc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)n(C)n1 ZINC000335028365 387122937 /nfs/dbraw/zinc/12/29/37/387122937.db2.gz ISBIHUIKVDMNSW-MFKMUULPSA-N 2 0 236.363 1.206 20 0 BDADRP NC[C@@H]1CCCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000359215336 387067863 /nfs/dbraw/zinc/06/78/63/387067863.db2.gz JTXNOQKWBKEXHJ-ZDUSSCGKSA-N 2 0 225.380 1.189 20 0 BDADRP C[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc(F)cc1 ZINC000423305785 387141755 /nfs/dbraw/zinc/14/17/55/387141755.db2.gz RNMMNQNYOVSNAU-SECBINFHSA-N 2 0 208.280 1.696 20 0 BDADRP CCC[NH2+]CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000423311017 387148472 /nfs/dbraw/zinc/14/84/72/387148472.db2.gz OWSNKIGPKQGVCU-BFHYXJOUSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)CCCc1cccnc1 ZINC000423312451 387149395 /nfs/dbraw/zinc/14/93/95/387149395.db2.gz VEZLMUKHUZKUKA-OLZOCXBDSA-N 2 0 235.375 1.977 20 0 BDADRP CCC1(CC)[C@H]([NH2+]C[C@@H](C)C[NH3+])C[C@@H]1OC ZINC000423312375 387149423 /nfs/dbraw/zinc/14/94/23/387149423.db2.gz UZPKNFUCPQLDKP-TUAOUCFPSA-N 2 0 228.380 1.765 20 0 BDADRP CCC1(CC)[C@H]([NH2+]C[C@@H]([NH3+])C2CC2)C[C@H]1OC ZINC000423314783 387154260 /nfs/dbraw/zinc/15/42/60/387154260.db2.gz HUYCKKRQQMZZMS-JHJVBQTASA-N 2 0 240.391 1.907 20 0 BDADRP CCC[NH2+]CC[NH2+][C@H](C)C1CCOCC1 ZINC000423314882 387155238 /nfs/dbraw/zinc/15/52/38/387155238.db2.gz WSDQBFNZHXWGOE-LLVKDONJSA-N 2 0 214.353 1.391 20 0 BDADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH3+])cc1 ZINC000423314370 387155328 /nfs/dbraw/zinc/15/53/28/387155328.db2.gz YKBGVGUHMKRDSN-GHMZBOCLSA-N 2 0 249.358 1.890 20 0 BDADRP CCN1C[C@@H](C)[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)C1 ZINC000423318657 387158651 /nfs/dbraw/zinc/15/86/51/387158651.db2.gz CTZFCLCFXNKQRY-OLZOCXBDSA-N 3 0 239.407 1.306 20 0 BDADRP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)C1CCOCC1 ZINC000423319150 387159018 /nfs/dbraw/zinc/15/90/18/387159018.db2.gz CZZGIUSUKUAQTO-GXTWGEPZSA-N 2 0 240.391 1.781 20 0 BDADRP CC[C@H]([NH2+]CCCC[NH3+])C1(C(=O)OC)CCC1 ZINC000423317648 387159180 /nfs/dbraw/zinc/15/91/80/387159180.db2.gz CSZOFOODWHXRAN-NSHDSACASA-N 2 0 242.363 1.437 20 0 BDADRP COC[C@@H]([NH2+]CC1([NH3+])CCC1)C(C)C ZINC000423323439 387168044 /nfs/dbraw/zinc/16/80/44/387168044.db2.gz JLHXIWZXGYKYKY-SNVBAGLBSA-N 2 0 200.326 1.128 20 0 BDADRP Cc1ccnc([C@H](C)[NH2+]CCCC[NH3+])c1 ZINC000423332066 387177955 /nfs/dbraw/zinc/17/79/55/387177955.db2.gz QOARKLLGYLQTAN-NSHDSACASA-N 2 0 207.321 1.780 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]CC2([NH3+])CCC2)C12CCC2 ZINC000423338131 387185451 /nfs/dbraw/zinc/18/54/51/387185451.db2.gz VRIWAHKEXHUWLG-VXGBXAGGSA-N 2 0 238.375 1.805 20 0 BDADRP CC1(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC[NH2+]CC1 ZINC000423337824 387186263 /nfs/dbraw/zinc/18/62/63/387186263.db2.gz UEAXUOPGEDXRJP-CHWSQXEVSA-N 3 0 239.407 1.483 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000229622102 387186676 /nfs/dbraw/zinc/18/66/76/387186676.db2.gz SXASEJPJSIIXQQ-MJBXVCDLSA-N 2 0 240.391 1.754 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423341754 387189295 /nfs/dbraw/zinc/18/92/95/387189295.db2.gz MUUSXMWUHDPBOG-QWHCGFSZSA-N 3 0 227.396 1.483 20 0 BDADRP C[N@@H+]1CC[C@H](NCC2([NH3+])CCC2)[C@H]2CCC[C@@H]21 ZINC000423341196 387189350 /nfs/dbraw/zinc/18/93/50/387189350.db2.gz XUHMNGRVKFSCSH-AGIUHOORSA-N 2 0 237.391 1.330 20 0 BDADRP CC[C@H]([NH2+]CC1(C)CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000423340232 387190800 /nfs/dbraw/zinc/19/08/00/387190800.db2.gz VQXQCJBKPYEOSD-STQMWFEESA-N 3 0 239.407 1.496 20 0 BDADRP CCCC[C@H](C[NH3+])NC1CC[NH+](C2CC2)CC1 ZINC000423301155 387133303 /nfs/dbraw/zinc/13/33/03/387133303.db2.gz SPVPPCNXSZBHAW-CYBMUJFWSA-N 2 0 239.407 1.720 20 0 BDADRP COC[C@@H]([NH2+]C[C@H](C)C[NH3+])C1CCCC1 ZINC000423301400 387133361 /nfs/dbraw/zinc/13/33/61/387133361.db2.gz FZHWYVDRBGPMNB-ZYHUDNBSSA-N 2 0 214.353 1.376 20 0 BDADRP C[NH+](C)[C@H]1CCC[N@H+](CCCF)CC1 ZINC000370665022 387134008 /nfs/dbraw/zinc/13/40/08/387134008.db2.gz MLWHGGFZTOFZDM-NSHDSACASA-N 2 0 202.317 1.762 20 0 BDADRP C[C@H](C[NH3+])CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423304116 387136792 /nfs/dbraw/zinc/13/67/92/387136792.db2.gz JXJYTCVCKOJLET-ZOBORPQBSA-N 2 0 239.407 1.482 20 0 BDADRP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc2c(c1)COC2 ZINC000423304971 387139675 /nfs/dbraw/zinc/13/96/75/387139675.db2.gz ZUPYANAWIUOKKN-WDEREUQCSA-N 2 0 234.343 1.962 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000336312084 387140160 /nfs/dbraw/zinc/14/01/60/387140160.db2.gz AEAHWMFGYUHQQB-NEPJUHHUSA-N 3 0 225.380 1.045 20 0 BDADRP C[C@H]([NH2+]CC1C[NH2+]C1)[C@@H](C)c1ccccc1 ZINC000423306202 387141018 /nfs/dbraw/zinc/14/10/18/387141018.db2.gz SMIHNUIZAUIUHN-NEPJUHHUSA-N 2 0 218.344 1.988 20 0 BDADRP C(C[C@H]1CCC[NH2+]1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000423355431 387204969 /nfs/dbraw/zinc/20/49/69/387204969.db2.gz FLGVDRNFKQILJC-HZSPNIEDSA-N 2 0 237.391 1.345 20 0 BDADRP CC[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)[C@H]1CCOC1 ZINC000423355070 387205129 /nfs/dbraw/zinc/20/51/29/387205129.db2.gz DUBSOVBEYQFQJE-YNEHKIRRSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@H]2CCCC[NH+]2C)C[C@@H]1O ZINC000300414639 387207560 /nfs/dbraw/zinc/20/75/60/387207560.db2.gz NSPWEFBBXKTKHM-MCIONIFRSA-N 2 0 240.391 1.564 20 0 BDADRP C[C@H]([NH3+])c1ccc(C(=O)NC[C@H](C)[NH+](C)C)cc1 ZINC000423356123 387208531 /nfs/dbraw/zinc/20/85/31/387208531.db2.gz QATQACZAYJVLMC-QWRGUYRKSA-N 2 0 249.358 1.386 20 0 BDADRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)[C@@H]1CC1(C)C ZINC000423358377 387210790 /nfs/dbraw/zinc/21/07/90/387210790.db2.gz TZSHBBFZFBJYCA-PWSUYJOCSA-N 2 0 208.349 1.930 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1CCCC[C@H]1C[NH3+] ZINC000423363321 387215946 /nfs/dbraw/zinc/21/59/46/387215946.db2.gz BUMXJIPAKBLGHC-VOAKCMCISA-N 2 0 225.380 1.092 20 0 BDADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000423366644 387219176 /nfs/dbraw/zinc/21/91/76/387219176.db2.gz CSFNHDVMNQQCBY-ZDEQEGDKSA-N 2 0 225.380 1.057 20 0 BDADRP C1C[C@@H]([N@@H+]2C[C@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)CO1 ZINC000371464046 387219937 /nfs/dbraw/zinc/21/99/37/387219937.db2.gz NXWCKYBZTHVKSX-AAVRWANBSA-N 2 0 236.359 1.191 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CCCO1 ZINC000423370419 387222928 /nfs/dbraw/zinc/22/29/28/387222928.db2.gz DEOYSYIDAHYXJM-DDHJBXDOSA-N 2 0 212.337 1.284 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)[C@@H](C)O1 ZINC000423325908 387230232 /nfs/dbraw/zinc/23/02/32/387230232.db2.gz CETFZBFXHHQHNH-NDBYEHHHSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CCO[C@@H]1C)C[NH+]1CCCCC1 ZINC000120343585 387232088 /nfs/dbraw/zinc/23/20/88/387232088.db2.gz OHMKKILIKZWHLE-MGPQQGTHSA-N 2 0 240.391 1.875 20 0 BDADRP CCC[C@H](CCO)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000300698137 387238770 /nfs/dbraw/zinc/23/87/70/387238770.db2.gz VFRCXJKLFDHXQK-HZSPNIEDSA-N 2 0 242.407 1.892 20 0 BDADRP c1cnn([C@H]2CCC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000336409498 387238987 /nfs/dbraw/zinc/23/89/87/387238987.db2.gz YNOMDLSGJMVJSR-KGLIPLIRSA-N 2 0 248.374 1.520 20 0 BDADRP C[C@H](Cc1ccoc1)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000423405835 387244424 /nfs/dbraw/zinc/24/44/24/387244424.db2.gz UBKXGZYHJRTWRO-WZRBSPASSA-N 2 0 222.332 1.798 20 0 BDADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000352478591 387246502 /nfs/dbraw/zinc/24/65/02/387246502.db2.gz YMHDCLWHHKEYFO-ZDUSSCGKSA-N 3 0 225.380 1.189 20 0 BDADRP C[C@@H]1CCNC[C@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423416410 387249173 /nfs/dbraw/zinc/24/91/73/387249173.db2.gz CMTBAWWBWFIRAT-AAVRWANBSA-N 2 0 239.407 1.339 20 0 BDADRP CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C1(C)C ZINC000423425721 387251955 /nfs/dbraw/zinc/25/19/55/387251955.db2.gz GZOOMHOFPHMQLD-MLGHIDQZSA-N 2 0 238.375 1.386 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423426965 387252028 /nfs/dbraw/zinc/25/20/28/387252028.db2.gz PZPGYXODMVLIRH-FDYHWXHSSA-N 3 0 227.396 1.467 20 0 BDADRP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)C1C(C)(C)C1(C)C ZINC000423424610 387252180 /nfs/dbraw/zinc/25/21/80/387252180.db2.gz FYMFQRBTHUZHJG-UKKRHICBSA-N 2 0 222.376 1.865 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000423345838 387194423 /nfs/dbraw/zinc/19/44/23/387194423.db2.gz GGDHSZWDSXLFFU-KBPBESRZSA-N 2 0 238.375 1.701 20 0 BDADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]([NH3+])CC ZINC000423462166 387311301 /nfs/dbraw/zinc/31/13/01/387311301.db2.gz KNDYISUNLRDYCG-SRVKXCTJSA-N 2 0 214.353 1.519 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@H]1C[C@H](OC)C1(CC)CC ZINC000423464608 387313148 /nfs/dbraw/zinc/31/31/48/387313148.db2.gz MGLSPPFRYBHZIF-SRVKXCTJSA-N 2 0 228.380 1.907 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@@H]1C ZINC000423464443 387313331 /nfs/dbraw/zinc/31/33/31/387313331.db2.gz LZUFGLWQBXLJDE-WHOHXGKFSA-N 2 0 242.363 1.291 20 0 BDADRP CC[NH2+][C@H](C)CN[C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423388045 387273566 /nfs/dbraw/zinc/27/35/66/387273566.db2.gz MOKMOMRIWOFJDI-UMVBOHGHSA-N 2 0 249.402 1.533 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+][C@H](C)C1CCOCC1 ZINC000423391991 387276270 /nfs/dbraw/zinc/27/62/70/387276270.db2.gz XGGBOUYMRWGLGB-GHMZBOCLSA-N 2 0 214.353 1.389 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423391665 387276407 /nfs/dbraw/zinc/27/64/07/387276407.db2.gz PNLWZWWIJXGCGS-GHMZBOCLSA-N 2 0 234.343 1.803 20 0 BDADRP CC[NH2+]CCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000643498830 387277561 /nfs/dbraw/zinc/27/75/61/387277561.db2.gz HFFJLQHPEIZRPN-LBPRGKRZSA-N 2 0 227.396 1.306 20 0 BDADRP C[C@@H]1C[C@@H](N[C@H]2CC[NH2+]C[C@H]2C)C[N@@H+]1C1CC1 ZINC000423395167 387280586 /nfs/dbraw/zinc/28/05/86/387280586.db2.gz NGAGPHVSSLNMBN-BYNQJWBRSA-N 2 0 237.391 1.199 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423430340 387281341 /nfs/dbraw/zinc/28/13/41/387281341.db2.gz UDNJFZQVDDNGEV-SYQHCUMBSA-N 2 0 240.391 1.766 20 0 BDADRP CC[C@@H]([NH2+][C@H](C)CCCC[NH3+])c1ccn(C)n1 ZINC000423431985 387283203 /nfs/dbraw/zinc/28/32/03/387283203.db2.gz MDJIQJRULOKEFP-VXGBXAGGSA-N 2 0 238.379 1.978 20 0 BDADRP C1CC(C([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C2CCC2)C1 ZINC000423432467 387283691 /nfs/dbraw/zinc/28/36/91/387283691.db2.gz OMECURPFXPXIIH-IMRBUKKESA-N 2 0 220.360 1.763 20 0 BDADRP Cc1n[nH]cc1C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352526383 387289056 /nfs/dbraw/zinc/28/90/56/387289056.db2.gz NBUUGZRFMAPANS-GFCCVEGCSA-N 2 0 222.336 1.421 20 0 BDADRP COC[C@]1(C[NH2+][C@H](C)C2CC2)CCC[NH2+]1 ZINC000423447555 387297713 /nfs/dbraw/zinc/29/77/13/387297713.db2.gz ZWNODUMLMCYHAG-ZYHUDNBSSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000423448937 387298369 /nfs/dbraw/zinc/29/83/69/387298369.db2.gz QVXJDTOPYYFKRQ-PREPNJAASA-N 2 0 224.348 1.269 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cnn(C)c1 ZINC000423451107 387298713 /nfs/dbraw/zinc/29/87/13/387298713.db2.gz XUUKQHIIEJZHDC-LEWSCRJBSA-N 2 0 248.374 1.459 20 0 BDADRP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423452311 387300529 /nfs/dbraw/zinc/30/05/29/387300529.db2.gz HWBMDKZBTAUWHT-OBPIAQAESA-N 2 0 238.375 1.388 20 0 BDADRP Cc1cc(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)on1 ZINC000353995188 387307201 /nfs/dbraw/zinc/30/72/01/387307201.db2.gz HHHSDSFHKLFTLM-GXFFZTMASA-N 2 0 237.347 1.455 20 0 BDADRP Cc1n[nH]cc1CN1CCC[C@H]([NH+](C)C)CC1 ZINC000336540838 387363937 /nfs/dbraw/zinc/36/39/37/387363937.db2.gz GUJMJYFXCLLFRF-ZDUSSCGKSA-N 2 0 236.363 1.634 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423540803 387366630 /nfs/dbraw/zinc/36/66/30/387366630.db2.gz QRKNRBXFDSRYEX-ZIAGYGMSSA-N 3 0 237.391 1.403 20 0 BDADRP C1=C(CC[NH2+][C@H]2CCCSC2)CC[NH2+]C1 ZINC000423546752 387370237 /nfs/dbraw/zinc/37/02/37/387370237.db2.gz ZIMRLTNBIUEOCJ-LBPRGKRZSA-N 2 0 226.389 1.781 20 0 BDADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000423554127 387373000 /nfs/dbraw/zinc/37/30/00/387373000.db2.gz LBCIRYMMECJNSO-JSGCOSHPSA-N 2 0 240.391 1.923 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1NCCC[NH2+]C1CC1 ZINC000423573756 387380213 /nfs/dbraw/zinc/38/02/13/387380213.db2.gz ZLUIRENGTRIXIJ-YPMHNXCESA-N 2 0 225.380 1.236 20 0 BDADRP CCN1C[C@H]([NH2+]CCC[C@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000423476715 387323671 /nfs/dbraw/zinc/32/36/71/387323671.db2.gz JJCXWPLVMYVPHU-MJBXVCDLSA-N 2 0 239.407 1.448 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423477146 387325455 /nfs/dbraw/zinc/32/54/55/387325455.db2.gz JODIZFSLRXAPGT-BFHYXJOUSA-N 3 0 239.407 1.626 20 0 BDADRP COCC1CCC([NH2+][C@H](C)[C@H](C)[NH3+])CC1 ZINC000423482983 387329526 /nfs/dbraw/zinc/32/95/26/387329526.db2.gz XQLQYRIMWAQTMV-DMOGRIERSA-N 2 0 214.353 1.517 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1cncc(F)c1 ZINC000423488822 387334494 /nfs/dbraw/zinc/33/44/94/387334494.db2.gz FAVVODIXZPYANT-CWSCBRNRSA-N 2 0 237.322 1.999 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)[C@@H]1CC1(C)C ZINC000423492295 387336294 /nfs/dbraw/zinc/33/62/94/387336294.db2.gz MLQUQTGTXNOMOC-SRVKXCTJSA-N 2 0 226.364 1.389 20 0 BDADRP CC[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccn(C)n1 ZINC000423498119 387337942 /nfs/dbraw/zinc/33/79/42/387337942.db2.gz GMEOBVPDCMTGFU-SRVKXCTJSA-N 2 0 236.363 1.588 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1cccc(CO)c1 ZINC000423496549 387338638 /nfs/dbraw/zinc/33/86/38/387338638.db2.gz WYIUYZLUZMIBOS-SLEUVZQESA-N 2 0 248.370 1.957 20 0 BDADRP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423497151 387340541 /nfs/dbraw/zinc/34/05/41/387340541.db2.gz YGTGGMNMMACENI-JHJVBQTASA-N 2 0 240.391 1.779 20 0 BDADRP C[NH+](C)CCC1CC[NH+](CCCCO)CC1 ZINC000303386723 387348536 /nfs/dbraw/zinc/34/85/36/387348536.db2.gz WNCPAOMCILXUJA-UHFFFAOYSA-N 2 0 228.380 1.423 20 0 BDADRP COCC1CCC([NH2+][C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000423521019 387353321 /nfs/dbraw/zinc/35/33/21/387353321.db2.gz WVKKUJKCEDQRGC-HHTDUIENSA-N 2 0 240.391 1.909 20 0 BDADRP CC[NH+](CC)CCC[N@H+](C)[C@H]1CCC[C@H]1O ZINC000352669232 387429268 /nfs/dbraw/zinc/42/92/68/387429268.db2.gz YEHNXNXRTDEZRY-QWHCGFSZSA-N 2 0 228.380 1.564 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000423857586 387437817 /nfs/dbraw/zinc/43/78/17/387437817.db2.gz ZWLZFFAXNKTMQO-ZDUSSCGKSA-N 2 0 241.379 1.057 20 0 BDADRP C[N@H+](C[C@H]1CC12CC[NH+](CCO)CC2)C1CC1 ZINC000374312853 387440754 /nfs/dbraw/zinc/44/07/54/387440754.db2.gz SLGNKQROKGNCCU-GFCCVEGCSA-N 2 0 238.375 1.175 20 0 BDADRP C[C@@H]([NH2+]CC1(CO)CCCCC1)C1C[NH2+]C1 ZINC000643466284 387386844 /nfs/dbraw/zinc/38/68/44/387386844.db2.gz SJPIOEXTGBJVFG-LLVKDONJSA-N 2 0 226.364 1.127 20 0 BDADRP CC[NH+](CC)CCCN1CC[N@H+](CC)C[C@H]1C ZINC000352658192 387422922 /nfs/dbraw/zinc/42/29/22/387422922.db2.gz DIIMKGXFZACRTQ-CQSZACIVSA-N 2 0 241.423 1.744 20 0 BDADRP C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CCC[NH2+]C1 ZINC000516492319 387516778 /nfs/dbraw/zinc/51/67/78/387516778.db2.gz VXLPOGYIWURVII-ZDEQEGDKSA-N 2 0 225.380 1.234 20 0 BDADRP CN1CC[NH+](CCCC[NH2+]CC2(F)CC2)CC1 ZINC000527223025 387535977 /nfs/dbraw/zinc/53/59/77/387535977.db2.gz HJCQLNGIPJAGPB-UHFFFAOYSA-N 2 0 243.370 1.106 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)C(C)(C)C ZINC000361804915 387538727 /nfs/dbraw/zinc/53/87/27/387538727.db2.gz PLKFJIIBWCYJEB-JHJVBQTASA-N 2 0 242.407 1.977 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000643470988 387477748 /nfs/dbraw/zinc/47/77/48/387477748.db2.gz DJJZTIYAWPNLCS-UPJWGTAASA-N 2 0 228.380 1.645 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]C1CCC(CO)CC1 ZINC000643471372 387480170 /nfs/dbraw/zinc/48/01/70/387480170.db2.gz XQAMMTMTDIDGGE-CLRIEMFWSA-N 2 0 240.391 1.787 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccoc1C ZINC000643472228 387484805 /nfs/dbraw/zinc/48/48/05/387484805.db2.gz JOCAUNIZZQCSCW-GFCCVEGCSA-N 2 0 226.320 1.432 20 0 BDADRP CCC1(O)CCC([NH2+][C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000643474165 387489142 /nfs/dbraw/zinc/48/91/42/387489142.db2.gz LGMZRBFJWQJLLW-ZSVAQUKISA-N 2 0 228.380 1.786 20 0 BDADRP Cc1cnn(CC[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000336722301 387581621 /nfs/dbraw/zinc/58/16/21/387581621.db2.gz YCWMTGKGRYUPKM-CYBMUJFWSA-N 2 0 238.379 1.497 20 0 BDADRP CCCC[C@@H](CN)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000643514293 387598851 /nfs/dbraw/zinc/59/88/51/387598851.db2.gz DGEPXSWBWWOFMT-OCCSQVGLSA-N 2 0 241.423 1.824 20 0 BDADRP Cc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH3+])c(C)n1 ZINC000643514824 387599733 /nfs/dbraw/zinc/59/97/33/387599733.db2.gz MEBZVPDWZPUKSK-MWLCHTKSSA-N 2 0 221.348 1.944 20 0 BDADRP C[C@@H]1C[C@H]1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422561074 387602676 /nfs/dbraw/zinc/60/26/76/387602676.db2.gz IVZHOGMHWBPNQJ-NAWOPXAZSA-N 2 0 210.365 1.948 20 0 BDADRP CC[N@@H+]1CC[C@@H](CN[C@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000422694300 387613854 /nfs/dbraw/zinc/61/38/54/387613854.db2.gz NSQCTRMRPMOITA-AGIUHOORSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cn2ccsc2n1 ZINC000422700977 387614866 /nfs/dbraw/zinc/61/48/66/387614866.db2.gz HQCUMXJOCHIJEU-VIFPVBQESA-N 2 0 238.360 1.613 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C1CCCCC1 ZINC000422702997 387617953 /nfs/dbraw/zinc/61/79/53/387617953.db2.gz MBAGRQVLQCGOJZ-UPJWGTAASA-N 2 0 226.364 1.397 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000422704504 387621247 /nfs/dbraw/zinc/62/12/47/387621247.db2.gz PVBHIDUWDFQWQR-FRRDWIJNSA-N 2 0 226.364 1.533 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000124598462 387622318 /nfs/dbraw/zinc/62/23/18/387622318.db2.gz YKTJECAPHREVRT-BFHYXJOUSA-N 2 0 234.343 1.738 20 0 BDADRP OC1CCC([NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000527533184 387623391 /nfs/dbraw/zinc/62/33/91/387623391.db2.gz RECUKLWOEMERKC-HTAVTVPLSA-N 2 0 224.348 1.164 20 0 BDADRP C[C@H](O)CC[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000305651449 387624098 /nfs/dbraw/zinc/62/40/98/387624098.db2.gz CDFYVSCOOLYWIO-RYUDHWBXSA-N 2 0 214.353 1.173 20 0 BDADRP Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])ncn1 ZINC000643476321 387547028 /nfs/dbraw/zinc/54/70/28/387547028.db2.gz ITWJYUQMRCYZLO-WCQYABFASA-N 2 0 234.347 1.392 20 0 BDADRP C[C@H]([NH2+]C[C@@]1(C)CCOC1)[C@@H]1CCCC[NH2+]1 ZINC000397181238 387550003 /nfs/dbraw/zinc/55/00/03/387550003.db2.gz JBUORPYCKOUSRI-RWMBFGLXSA-N 2 0 226.364 1.533 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000305111205 387555741 /nfs/dbraw/zinc/55/57/41/387555741.db2.gz CZMNGSKMQOQLFI-MCIONIFRSA-N 2 0 242.407 1.715 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)COC)[C@@H](C)C1 ZINC000426339922 387556590 /nfs/dbraw/zinc/55/65/90/387556590.db2.gz YDQNNIBFKMXJFO-QWHCGFSZSA-N 2 0 242.407 1.979 20 0 BDADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)C1(C)CC1 ZINC000037468208 387561975 /nfs/dbraw/zinc/56/19/75/387561975.db2.gz MTQXTMNBDWRRKJ-CYBMUJFWSA-N 2 0 239.407 1.402 20 0 BDADRP CCCC[NH+]1CCC(NC(=O)C[C@H](C)[NH3+])CC1 ZINC000037607586 387566225 /nfs/dbraw/zinc/56/62/25/387566225.db2.gz HBHPUYMHSMGMRR-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000422717539 387630405 /nfs/dbraw/zinc/63/04/05/387630405.db2.gz WARYSERRGBZQTH-WUHRBBMRSA-N 2 0 228.380 1.501 20 0 BDADRP CC(C)C[C@@H](C[NH+](C)C)N[C@H](C)[C@H]1CCC[NH2+]1 ZINC000422717123 387631488 /nfs/dbraw/zinc/63/14/88/387631488.db2.gz OGVDQHSTVGMRHD-HZSPNIEDSA-N 2 0 241.423 1.693 20 0 BDADRP CN(C)c1cccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000422720796 387632553 /nfs/dbraw/zinc/63/25/53/387632553.db2.gz TWNSGUKOISNBPX-UKRRQHHQSA-N 2 0 247.386 1.970 20 0 BDADRP C[C@@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)C[NH+]1CCCC1 ZINC000422722344 387634012 /nfs/dbraw/zinc/63/40/12/387634012.db2.gz PEECWFMMPJGNEX-MELADBBJSA-N 2 0 239.407 1.448 20 0 BDADRP C[NH+](C)CCCC1CC[NH+](CCCCO)CC1 ZINC000305716556 387634286 /nfs/dbraw/zinc/63/42/86/387634286.db2.gz HPCARFNPPVKLRQ-UHFFFAOYSA-N 2 0 242.407 1.813 20 0 BDADRP COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422726950 387634850 /nfs/dbraw/zinc/63/48/50/387634850.db2.gz AXQIUFUKAHQJOX-MNOVXSKESA-N 2 0 222.332 1.911 20 0 BDADRP CC[NH+](CC)CCCN[C@@H]1CCC[C@@H]1[NH3+] ZINC000422726885 387635269 /nfs/dbraw/zinc/63/52/69/387635269.db2.gz GEUTVFAARMYNRP-NWDGAFQWSA-N 2 0 213.369 1.188 20 0 BDADRP COc1ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cc1 ZINC000422726952 387635323 /nfs/dbraw/zinc/63/53/23/387635323.db2.gz AXQIUFUKAHQJOX-WDEREUQCSA-N 2 0 222.332 1.911 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@H+](CCCOC(C)C)C1 ZINC000430625498 387635798 /nfs/dbraw/zinc/63/57/98/387635798.db2.gz JNKZWXJENRNNJJ-CYBMUJFWSA-N 2 0 228.380 1.733 20 0 BDADRP CC(C)CC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000422728417 387639256 /nfs/dbraw/zinc/63/92/56/387639256.db2.gz GHLOEUQKDSDJNK-SDDRHHMPSA-N 2 0 214.353 1.374 20 0 BDADRP C[C@@H]([NH3+])CC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000430701885 387643126 /nfs/dbraw/zinc/64/31/26/387643126.db2.gz PSUVSQWRNBJCOF-LLVKDONJSA-N 2 0 249.358 1.102 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cccc(CO)c1 ZINC000422736563 387643329 /nfs/dbraw/zinc/64/33/29/387643329.db2.gz GOFWVVQGWZIDGH-GHMZBOCLSA-N 2 0 222.332 1.394 20 0 BDADRP CC[NH+](CC)CCCN[C@H]1C[NH2+]CC[C@H]1C ZINC000422736334 387643712 /nfs/dbraw/zinc/64/37/12/387643712.db2.gz VYKHDIKOKYYXFJ-OLZOCXBDSA-N 2 0 227.396 1.306 20 0 BDADRP COc1ccc(CC[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000422736686 387643776 /nfs/dbraw/zinc/64/37/76/387643776.db2.gz WGCAVGGKABTUFM-LLVKDONJSA-N 2 0 234.343 1.435 20 0 BDADRP CC[C@@H](NCCC[NH+](CC)CC)[C@@H]1CCC[NH2+]1 ZINC000422737935 387645835 /nfs/dbraw/zinc/64/58/35/387645835.db2.gz XZUYVIYDNKSNEY-KGLIPLIRSA-N 2 0 241.423 1.839 20 0 BDADRP C[C@@H](NC[C@H](C)[N@H+](C)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000422737405 387645964 /nfs/dbraw/zinc/64/59/64/387645964.db2.gz IAOIYJJKTMDZLR-LOWVWBTDSA-N 2 0 225.380 1.199 20 0 BDADRP COC[C@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000125186268 387646514 /nfs/dbraw/zinc/64/65/14/387646514.db2.gz RJNWOJLUENXGSN-KBPBESRZSA-N 2 0 240.391 1.829 20 0 BDADRP COC[C@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000125186030 387646929 /nfs/dbraw/zinc/64/69/29/387646929.db2.gz RJNWOJLUENXGSN-UONOGXRCSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@@H](CNC(=O)C(C)(C)[NH3+])[N@@H+]1CCCC[C@@H]1C ZINC000430749870 387647110 /nfs/dbraw/zinc/64/71/10/387647110.db2.gz XTFAACKQDDHCQH-QWRGUYRKSA-N 2 0 241.379 1.103 20 0 BDADRP C[C@H](CN[C@H](C)c1c[nH+]ccc1N)[NH+](C)C ZINC000422745670 387648171 /nfs/dbraw/zinc/64/81/71/387648171.db2.gz VLKFOADZNOEVLE-NXEZZACHSA-N 2 0 222.336 1.095 20 0 BDADRP CC(C)[N@@H+]1CCC[C@H](CN[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000422745442 387648472 /nfs/dbraw/zinc/64/84/72/387648472.db2.gz VEENQLOZTAADBS-HZSPNIEDSA-N 2 0 239.407 1.576 20 0 BDADRP C[NH+](C)CCCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000422741893 387648820 /nfs/dbraw/zinc/64/88/20/387648820.db2.gz FLPLWARPYPZKHG-NEPJUHHUSA-N 2 0 213.369 1.188 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)C1 ZINC000643518212 387649658 /nfs/dbraw/zinc/64/96/58/387649658.db2.gz DCLYHIUPUGWBGC-OLZOCXBDSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCC[NH+](C)C ZINC000422747160 387650865 /nfs/dbraw/zinc/65/08/65/387650865.db2.gz PGZLOTPQWOZKIP-UKRRQHHQSA-N 2 0 249.402 1.486 20 0 BDADRP C[C@H](CCCCO)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000643518693 387652091 /nfs/dbraw/zinc/65/20/91/387652091.db2.gz LZNPGWZXVDIFCG-CHWSQXEVSA-N 2 0 228.380 1.517 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C)c1ccccn1 ZINC000422748899 387652890 /nfs/dbraw/zinc/65/28/90/387652890.db2.gz WRKVDOKFYIYJKZ-AXFHLTTASA-N 2 0 207.321 1.858 20 0 BDADRP CSCCC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422749783 387656248 /nfs/dbraw/zinc/65/62/48/387656248.db2.gz AXHGXFSAOVTZDJ-GHMZBOCLSA-N 2 0 216.394 1.717 20 0 BDADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)CCC[NH3+] ZINC000430898960 387658258 /nfs/dbraw/zinc/65/82/58/387658258.db2.gz YDJSJHMHSKWIRL-RYUDHWBXSA-N 2 0 241.379 1.104 20 0 BDADRP CC(C)(C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422758328 387660876 /nfs/dbraw/zinc/66/08/76/387660876.db2.gz JIGXQOREUIBAHZ-DCAQKATOSA-N 2 0 214.353 1.253 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NCCC[N@@H+]1CCCC[C@H]1C ZINC000422759731 387662617 /nfs/dbraw/zinc/66/26/17/387662617.db2.gz GARNEAVVGJKHTE-BFHYXJOUSA-N 2 0 241.423 1.966 20 0 BDADRP CC[C@@H](NCC[NH+]1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422759866 387663384 /nfs/dbraw/zinc/66/33/84/387663384.db2.gz KGYDOQWBEYIDGS-OLZOCXBDSA-N 2 0 225.380 1.202 20 0 BDADRP CN(CC[N@@H+]1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000430939414 387663912 /nfs/dbraw/zinc/66/39/12/387663912.db2.gz GCFHBSXGQNPTNR-CYBMUJFWSA-N 2 0 233.359 1.403 20 0 BDADRP CC[N@@H+]1CCC[C@H]1CN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422764128 387665040 /nfs/dbraw/zinc/66/50/40/387665040.db2.gz UOBKQQRAOVDZPV-RDBSUJKOSA-N 2 0 239.407 1.591 20 0 BDADRP Cc1cc(C)n(CCC[NH2+][C@H](C)C[C@H](C)[NH3+])n1 ZINC000422764985 387666185 /nfs/dbraw/zinc/66/61/85/387666185.db2.gz VQWIAPYAGDNIPZ-WDEREUQCSA-N 2 0 238.379 1.605 20 0 BDADRP C[C@H]([NH2+]CCOc1ccccc1)C1C[NH2+]C1 ZINC000422768685 387667241 /nfs/dbraw/zinc/66/72/41/387667241.db2.gz ZNVPBUVRHMBZID-NSHDSACASA-N 2 0 220.316 1.263 20 0 BDADRP OC[C@H](C[NH2+]C1CC[NH2+]CC1)Cc1ccccc1 ZINC000422772912 387669530 /nfs/dbraw/zinc/66/95/30/387669530.db2.gz ZHEDSLCHOOGSFL-AWEZNQCLSA-N 2 0 248.370 1.179 20 0 BDADRP COc1cccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000422770966 387670564 /nfs/dbraw/zinc/67/05/64/387670564.db2.gz QXFHGSKCZVUICQ-MNOVXSKESA-N 2 0 222.332 1.911 20 0 BDADRP CSCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000362925752 387674800 /nfs/dbraw/zinc/67/48/00/387674800.db2.gz LXDWCRLSNGSDNW-AGIUHOORSA-N 2 0 240.416 1.766 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCCC[NH+](C)C ZINC000422778064 387675540 /nfs/dbraw/zinc/67/55/40/387675540.db2.gz HBJUXSHLKPYTOV-QWHCGFSZSA-N 3 0 227.396 1.306 20 0 BDADRP C[C@H](CC[NH+](C)C)N[C@@H](C)C[C@H](C)[NH3+] ZINC000422776808 387675818 /nfs/dbraw/zinc/67/58/18/387675818.db2.gz DNSJMXKAYJZDHF-AXFHLTTASA-N 2 0 201.358 1.042 20 0 BDADRP COCCOCCC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422777236 387675848 /nfs/dbraw/zinc/67/58/48/387675848.db2.gz BTWRUTSDVWVNIT-QWHCGFSZSA-N 2 0 244.379 1.289 20 0 BDADRP C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)[C@H]1CCC[NH2+]1 ZINC000422779652 387678273 /nfs/dbraw/zinc/67/82/73/387678273.db2.gz IOQCBBJTFLFKOX-ZOLYEBIHSA-N 2 0 238.375 1.530 20 0 BDADRP C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000422780564 387678376 /nfs/dbraw/zinc/67/83/76/387678376.db2.gz KIZAVDJXCZAMKT-XUXIUFHCSA-N 2 0 239.407 1.589 20 0 BDADRP CC[C@@H](C(=O)OC)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000356600659 387679772 /nfs/dbraw/zinc/67/97/72/387679772.db2.gz HEQGMAAJDQMOJM-LBPRGKRZSA-N 2 0 242.363 1.212 20 0 BDADRP COC[C@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)C(C)C ZINC000126502897 387685159 /nfs/dbraw/zinc/68/51/59/387685159.db2.gz UXPOBKJQSAFYKD-KBPBESRZSA-N 2 0 242.407 1.979 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cnn(C)c1 ZINC000044517170 387686044 /nfs/dbraw/zinc/68/60/44/387686044.db2.gz AMMXFQNLPSNGTG-NSHDSACASA-N 2 0 236.363 1.413 20 0 BDADRP CC(C)COCCC[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422786961 387686809 /nfs/dbraw/zinc/68/68/09/387686809.db2.gz PKFGDJSRFXKGFO-NEPJUHHUSA-N 2 0 214.353 1.519 20 0 BDADRP CCCC[NH+]1CCC(N[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000422795206 387696506 /nfs/dbraw/zinc/69/65/06/387696506.db2.gz ZZBCWBREBHPSPI-CHWSQXEVSA-N 2 0 241.423 1.966 20 0 BDADRP CC(C)[N@@H+]1CCC[C@H](CN[C@@H](C)C[C@H](C)[NH3+])C1 ZINC000422743798 387689711 /nfs/dbraw/zinc/68/97/11/387689711.db2.gz RWTOWDRIBUDBGW-MELADBBJSA-N 2 0 241.423 1.822 20 0 BDADRP C[C@@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)[N@H+](C)C1CC1 ZINC000422743257 387691021 /nfs/dbraw/zinc/69/10/21/387691021.db2.gz RFEHUNWBAVOESV-MBNYWOFBSA-N 2 0 239.407 1.447 20 0 BDADRP C[C@@H](N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCCC[NH2+]1 ZINC000422743782 387691229 /nfs/dbraw/zinc/69/12/29/387691229.db2.gz RVJYPWFCLFLZBD-YRGRVCCFSA-N 2 0 237.391 1.343 20 0 BDADRP CC[C@H]([NH2+]C[C@@H](C)C[C@H](C)O)[C@@H]1CCC[NH2+]1 ZINC000422792513 387693504 /nfs/dbraw/zinc/69/35/04/387693504.db2.gz XCWWCCBTHGSHMB-CYDGBPFRSA-N 2 0 228.380 1.514 20 0 BDADRP C[C@H](CN[C@H]1CCC[C@@H]1[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC000422862916 387743458 /nfs/dbraw/zinc/74/34/58/387743458.db2.gz OFAPJCXSGMWNMR-MQYQWHSLSA-N 2 0 239.407 1.576 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1NCC[N@@H+]1CCCC[C@@H]1C ZINC000422862911 387743910 /nfs/dbraw/zinc/74/39/10/387743910.db2.gz OECOOLQGXNDCLW-HZSPNIEDSA-N 2 0 239.407 1.448 20 0 BDADRP CC1CC[NH+](CCN[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000422859473 387743962 /nfs/dbraw/zinc/74/39/62/387743962.db2.gz KCVGQXBRQCYPEF-UONOGXRCSA-N 2 0 239.407 1.306 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CCN1CCC[C@@H](C)C1 ZINC000422867222 387746199 /nfs/dbraw/zinc/74/61/99/387746199.db2.gz RWMPZQBELKOWQO-OLZOCXBDSA-N 2 0 227.396 1.435 20 0 BDADRP C[C@H](N[C@@H]1CC[N@@H+](C2CCCC2)C1)C1C[NH2+]C1 ZINC000422863819 387746652 /nfs/dbraw/zinc/74/66/52/387746652.db2.gz SHGDIHGEVJPELS-WCQYABFASA-N 2 0 237.391 1.201 20 0 BDADRP C[C@@H]1CCC[N@H+](CCN[C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000422864848 387746811 /nfs/dbraw/zinc/74/68/11/387746811.db2.gz WMCXWQYLFNHDIO-HZSPNIEDSA-N 2 0 239.407 1.306 20 0 BDADRP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H](C)[NH3+])cc1 ZINC000643526251 387749628 /nfs/dbraw/zinc/74/96/28/387749628.db2.gz WDKDUQJFKYKHDV-VXGBXAGGSA-N 2 0 236.359 1.953 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CCC[C@H]2[NH3+])CCCS1 ZINC000422871594 387749862 /nfs/dbraw/zinc/74/98/62/387749862.db2.gz DFGXKHRHGAZBKR-GMTAPVOTSA-N 2 0 214.378 1.742 20 0 BDADRP C[C@H](NCC[N@@H+]1CCC[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422871383 387750357 /nfs/dbraw/zinc/75/03/57/387750357.db2.gz ZYKKWJFGZYPKMM-MELADBBJSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H](N[C@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1CCC[NH2+]1 ZINC000422873821 387751661 /nfs/dbraw/zinc/75/16/61/387751661.db2.gz BFVOKIRQKHPTGC-XDQVBPFNSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000422873135 387752388 /nfs/dbraw/zinc/75/23/88/387752388.db2.gz KCYDVBABRFKXHY-LOWVWBTDSA-N 2 0 225.380 1.186 20 0 BDADRP CC[N@H+](CCN[C@H](C)[C@H]1CCC[NH2+]1)C(C)C ZINC000422876679 387754904 /nfs/dbraw/zinc/75/49/04/387754904.db2.gz GHPJUCKDWKNYKV-CHWSQXEVSA-N 2 0 227.396 1.447 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000422802258 387701421 /nfs/dbraw/zinc/70/14/21/387701421.db2.gz DEUNDYWIRVOVBS-UPJWGTAASA-N 2 0 232.327 1.460 20 0 BDADRP C[C@H]([NH2+]C[C@H]1Cc2ccccc2O1)C1C[NH2+]C1 ZINC000422804939 387701585 /nfs/dbraw/zinc/70/15/85/387701585.db2.gz IMEBPJYTZLOXHP-GXFFZTMASA-N 2 0 232.327 1.188 20 0 BDADRP CCSCC[C@H](C)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422804913 387703656 /nfs/dbraw/zinc/70/36/56/387703656.db2.gz IIGPNNVGYGEJFZ-VHSXEESVSA-N 2 0 216.394 1.716 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CCC[C@H]1[NH3+])C(C)C ZINC000422807539 387705221 /nfs/dbraw/zinc/70/52/21/387705221.db2.gz MOQXIGAUPATXOO-OUAUKWLOSA-N 2 0 200.326 1.127 20 0 BDADRP CCC(CC)(CCO)C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422806293 387705377 /nfs/dbraw/zinc/70/53/77/387705377.db2.gz HVVAQFIYYPYSON-VXGBXAGGSA-N 2 0 228.380 1.645 20 0 BDADRP C[NH+](C)Cc1cccc(CN[C@H]2CCC[C@H]2[NH3+])c1 ZINC000422805832 387705417 /nfs/dbraw/zinc/70/54/17/387705417.db2.gz JSAXSVAEGGCZSQ-CABCVRRESA-N 2 0 247.386 1.718 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1NCC[NH+]1CCCCCC1 ZINC000422807822 387705807 /nfs/dbraw/zinc/70/58/07/387705807.db2.gz NHCGVDSWGNCSMT-ZIAGYGMSSA-N 2 0 239.407 1.450 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1NCC[NH+]1CCCCCC1 ZINC000422808583 387709295 /nfs/dbraw/zinc/70/92/95/387709295.db2.gz OMMHQTPKTWATJI-QWHCGFSZSA-N 2 0 225.380 1.332 20 0 BDADRP CO[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000422810647 387709591 /nfs/dbraw/zinc/70/95/91/387709591.db2.gz SAIIXTMUNQHSHA-HNGCFSAESA-N 2 0 226.364 1.530 20 0 BDADRP CCO[C@@]1(C)C[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000527782536 387710063 /nfs/dbraw/zinc/71/00/63/387710063.db2.gz FVUWMFVFFDIKHV-DGAVXFQQSA-N 2 0 238.375 1.770 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000422813904 387710886 /nfs/dbraw/zinc/71/08/86/387710886.db2.gz YXEPZSZBNWFPIF-STQMWFEESA-N 3 0 249.402 1.964 20 0 BDADRP CN(CC[NH2+][C@@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000422813044 387711302 /nfs/dbraw/zinc/71/13/02/387711302.db2.gz RIDJAUJUSKQOLP-ZIAGYGMSSA-N 2 0 233.359 1.592 20 0 BDADRP CCO[C@@H](CC[NH2+][C@@H](C)C1C[NH2+]C1)C(C)C ZINC000422815559 387714054 /nfs/dbraw/zinc/71/40/54/387714054.db2.gz XXCOMHHLWVHWNK-AAEUAGOBSA-N 2 0 228.380 1.635 20 0 BDADRP CCC[N@H+](CC)CCN[C@@H]1CCC[C@@H]1[NH3+] ZINC000422817312 387714730 /nfs/dbraw/zinc/71/47/30/387714730.db2.gz CVIXQBNJZTXAFE-NWDGAFQWSA-N 2 0 213.369 1.188 20 0 BDADRP CC(C)C[C@@H](CN[C@@H](C)C1C[NH2+]C1)[NH+](C)C ZINC000422817384 387715387 /nfs/dbraw/zinc/71/53/87/387715387.db2.gz HMQFPQWNXHZHQT-AAEUAGOBSA-N 2 0 227.396 1.160 20 0 BDADRP C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000367513876 387718450 /nfs/dbraw/zinc/71/84/50/387718450.db2.gz OUFPHNUJIJWSLG-NXEZZACHSA-N 2 0 247.342 1.254 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCc1cn2ccccc2n1 ZINC000422820447 387718733 /nfs/dbraw/zinc/71/87/33/387718733.db2.gz QPZBZAAGISSCET-RYUDHWBXSA-N 2 0 246.358 1.592 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@H](N[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422830798 387723849 /nfs/dbraw/zinc/72/38/49/387723849.db2.gz DAQZHIDRBVIPRM-RQJABVFESA-N 2 0 239.407 1.576 20 0 BDADRP CCC[N@H+](CC)CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422832477 387726249 /nfs/dbraw/zinc/72/62/49/387726249.db2.gz XPXIHDBIDFBQEP-PBWFPOADSA-N 2 0 239.407 1.591 20 0 BDADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)[C@@H]1CCOC1 ZINC000162989237 387730753 /nfs/dbraw/zinc/73/07/53/387730753.db2.gz NCRFDDAQEFVWAA-VXGBXAGGSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)[C@H]1CCCOC1 ZINC000356855889 387732324 /nfs/dbraw/zinc/73/23/24/387732324.db2.gz VOUCNPZEZCUVSE-OLZOCXBDSA-N 2 0 242.407 1.979 20 0 BDADRP CC[C@@H](CCO)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422849735 387735820 /nfs/dbraw/zinc/73/58/20/387735820.db2.gz CLICCKGNOVGJJG-SDDRHHMPSA-N 2 0 214.353 1.125 20 0 BDADRP C[C@@H]1C[C@@H](N[C@H]2CCC[NH2+]CC2)C[N@@H+]1C1CC1 ZINC000422851723 387736866 /nfs/dbraw/zinc/73/68/66/387736866.db2.gz FVBVFBWYTGCGIB-FRRDWIJNSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@@H]1CCCC[N@@H+]1CCN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000422859042 387740551 /nfs/dbraw/zinc/74/05/51/387740551.db2.gz JLZZOSQWQXNHBM-MGPQQGTHSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCN(C2CCCC2)C1 ZINC000422858817 387741136 /nfs/dbraw/zinc/74/11/36/387741136.db2.gz IVPYSICRBCGFGS-OLZOCXBDSA-N 3 0 239.407 1.720 20 0 BDADRP CC(=O)Nc1cccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c1 ZINC000422856217 387741947 /nfs/dbraw/zinc/74/19/47/387741947.db2.gz FUAKOKSIZFBVHH-WDEREUQCSA-N 2 0 249.358 1.860 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)[NH3+])C12CCCC2 ZINC000643527161 387763986 /nfs/dbraw/zinc/76/39/86/387763986.db2.gz KFVSNHAONOYAKJ-SDDRHHMPSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@H](C[C@@H]1CCCO1)[NH2+]C1CCC([NH3+])CC1 ZINC000422899230 387764232 /nfs/dbraw/zinc/76/42/32/387764232.db2.gz HDAASZXDNIZTIH-XVSSEFHLSA-N 2 0 226.364 1.804 20 0 BDADRP C[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000643527732 387767238 /nfs/dbraw/zinc/76/72/38/387767238.db2.gz RPCBRCRQGQVHPC-GARJFASQSA-N 2 0 202.317 1.842 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CN[C@H]1CCC[C@H]1C[NH3+] ZINC000422910920 387769662 /nfs/dbraw/zinc/76/96/62/387769662.db2.gz RVYFGBZRHFSMMT-MJBXVCDLSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@H]([NH3+])C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000643528429 387769949 /nfs/dbraw/zinc/76/99/49/387769949.db2.gz JAULGFNTROVHSZ-FZMZJTMJSA-N 2 0 218.344 1.945 20 0 BDADRP C[C@@H]([NH3+])C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000643528428 387770425 /nfs/dbraw/zinc/77/04/25/387770425.db2.gz JAULGFNTROVHSZ-BXUZGUMPSA-N 2 0 218.344 1.945 20 0 BDADRP CCN1CCCC[C@@H]1C[NH2+][C@H](C)CCC[NH3+] ZINC000422911900 387771139 /nfs/dbraw/zinc/77/11/39/387771139.db2.gz UUQKKKUQKRQNFT-CHWSQXEVSA-N 2 0 227.396 1.578 20 0 BDADRP CC[C@@H](C)[N@H+](C)CCN[C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422912048 387771352 /nfs/dbraw/zinc/77/13/52/387771352.db2.gz VBKMQCPWVSFZOY-RDBSUJKOSA-N 2 0 241.423 1.837 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000422912040 387771564 /nfs/dbraw/zinc/77/15/64/387771564.db2.gz VABUOIXBAKLJSJ-MJBXVCDLSA-N 2 0 241.423 1.966 20 0 BDADRP CC[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)[C@@H]1CCC[NH2+]1 ZINC000422915277 387773771 /nfs/dbraw/zinc/77/37/71/387773771.db2.gz APIAWYSWGWLZIN-XQQFMLRXSA-N 2 0 242.407 1.904 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCC(F)(F)F ZINC000422917877 387773975 /nfs/dbraw/zinc/77/39/75/387773975.db2.gz FXRHBRALVQRSSG-BDAKNGLRSA-N 2 0 224.270 1.917 20 0 BDADRP C[C@@H](O)CC(C)(C)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422918718 387775185 /nfs/dbraw/zinc/77/51/85/387775185.db2.gz IMKGQFCGSNMSDY-AGIUHOORSA-N 2 0 242.407 1.904 20 0 BDADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422921241 387776009 /nfs/dbraw/zinc/77/60/09/387776009.db2.gz PGWGXHMGTQXPPF-SCRDCRAPSA-N 2 0 240.391 1.635 20 0 BDADRP CC[C@@H](O)CCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422923675 387777233 /nfs/dbraw/zinc/77/72/33/387777233.db2.gz SLIDEUBUZWQPLX-QJPTWQEYSA-N 2 0 214.353 1.268 20 0 BDADRP CC[C@@H](O)CCC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422923674 387777441 /nfs/dbraw/zinc/77/74/41/387777441.db2.gz SLIDEUBUZWQPLX-IJLUTSLNSA-N 2 0 214.353 1.268 20 0 BDADRP CC[C@@H]([NH2+][C@H]1CCSC1)[C@@H]1CCC[NH2+]1 ZINC000422922289 387777658 /nfs/dbraw/zinc/77/76/58/387777658.db2.gz SMRNADDQWLVUIF-AXFHLTTASA-N 2 0 214.378 1.612 20 0 BDADRP COC[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])C1CC1 ZINC000422937545 387783144 /nfs/dbraw/zinc/78/31/44/387783144.db2.gz OFHOFLWDWSTUIJ-QXEWZRGKSA-N 2 0 200.326 1.127 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CCOc1ccc(F)cc1 ZINC000422939923 387784085 /nfs/dbraw/zinc/78/40/85/387784085.db2.gz MKWOSFKPCMTLMC-NSHDSACASA-N 2 0 240.322 1.922 20 0 BDADRP CCc1nc(CC[NH2+][C@@H](C)C[C@H](C)[NH3+])cs1 ZINC000422901179 387785759 /nfs/dbraw/zinc/78/57/59/387785759.db2.gz KNULCRXEBGQPEF-UWVGGRQHSA-N 2 0 241.404 1.963 20 0 BDADRP OC1CC(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000432408935 387787147 /nfs/dbraw/zinc/78/71/47/387787147.db2.gz DJDBOEGSUPEKGV-YIFLHPOLSA-N 2 0 238.375 1.364 20 0 BDADRP CCOCC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422902356 387787585 /nfs/dbraw/zinc/78/75/85/387787585.db2.gz ULGTUURAWMIYOA-GHMZBOCLSA-N 2 0 200.326 1.273 20 0 BDADRP CC[C@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000150983861 387788709 /nfs/dbraw/zinc/78/87/09/387788709.db2.gz UCWIAODZEYDUOB-LBPRGKRZSA-N 2 0 227.396 1.401 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)CCC[NH3+])C1 ZINC000422977310 387789001 /nfs/dbraw/zinc/78/90/01/387789001.db2.gz WQFYUERHUQCIQZ-CHWSQXEVSA-N 3 0 227.396 1.435 20 0 BDADRP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CCC1CC(O)C1 ZINC000432421608 387789463 /nfs/dbraw/zinc/78/94/63/387789463.db2.gz QFYHAXXJHYFZTK-PSPOIRCVSA-N 2 0 238.375 1.220 20 0 BDADRP CC[C@H]([NH2+]CC1(O)CCC1)[C@@H]1CCC[NH2+]1 ZINC000422980770 387791775 /nfs/dbraw/zinc/79/17/75/387791775.db2.gz QZLNBRSYOIBIBT-QWRGUYRKSA-N 2 0 212.337 1.022 20 0 BDADRP CC[C@H]([NH2+]CCSCCCO)[C@@H]1CCC[NH2+]1 ZINC000422982734 387793467 /nfs/dbraw/zinc/79/34/67/387793467.db2.gz XTCSJXAEDFKSBY-RYUDHWBXSA-N 2 0 246.420 1.222 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCc1ccc(O)cc1 ZINC000422985286 387795301 /nfs/dbraw/zinc/79/53/01/387795301.db2.gz CYPHNEQCSYXBDR-QWRGUYRKSA-N 2 0 222.332 1.650 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1ccc(O)cc1 ZINC000422985315 387795366 /nfs/dbraw/zinc/79/53/66/387795366.db2.gz DBTFGLGSXWIEMK-WFASDCNBSA-N 2 0 248.370 1.912 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CC23CC(C2)CO3)CC[N@@H+]1C ZINC000527981090 387797502 /nfs/dbraw/zinc/79/75/02/387797502.db2.gz KAVIKMCVNZSHRW-QCXCNERSSA-N 2 0 224.348 1.238 20 0 BDADRP C[C@H](CCCCO)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000643532546 387813101 /nfs/dbraw/zinc/81/31/01/387813101.db2.gz VRXXRONORAEFDV-MGPQQGTHSA-N 2 0 242.407 1.892 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CC1(CCO)CCC1 ZINC000422989599 387797999 /nfs/dbraw/zinc/79/79/99/387797999.db2.gz LYPUMYBOFIITRO-CHWSQXEVSA-N 2 0 240.391 1.646 20 0 BDADRP C[C@@H]([NH2+]CC1(CCO)CCC1)[C@@H]1CCC[NH2+]1 ZINC000422989203 387798102 /nfs/dbraw/zinc/79/81/02/387798102.db2.gz KUPAWJRMHXBUCV-NEPJUHHUSA-N 2 0 226.364 1.269 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CC1(CCO)CCC1 ZINC000422992613 387799491 /nfs/dbraw/zinc/79/94/91/387799491.db2.gz RPDXAAFVFHUOHY-VXGBXAGGSA-N 2 0 226.364 1.256 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCc1ccccn1 ZINC000422994530 387801900 /nfs/dbraw/zinc/80/19/00/387801900.db2.gz IBIXWCCNRSHPKI-ZFWWWQNUSA-N 2 0 247.386 1.992 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(CCO)CCC1 ZINC000422994789 387802946 /nfs/dbraw/zinc/80/29/46/387802946.db2.gz WFKTWHRNJMUDAA-QWHCGFSZSA-N 2 0 240.391 1.517 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](CO)c1cccc(F)c1 ZINC000422995968 387803498 /nfs/dbraw/zinc/80/34/98/387803498.db2.gz RYAFQTQTWLPANZ-KWBADKCTSA-N 2 0 240.322 1.575 20 0 BDADRP CCC[C@H](CCO)C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000423001208 387804128 /nfs/dbraw/zinc/80/41/28/387804128.db2.gz DFBIMXZPCZHSHJ-IJLUTSLNSA-N 2 0 214.353 1.255 20 0 BDADRP CC(C)C[N@@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH2+]C1 ZINC000422997888 387804761 /nfs/dbraw/zinc/80/47/61/387804761.db2.gz OYCDGVCRKYDTFS-ZIAGYGMSSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC(C)(C)CCO ZINC000423002631 387807970 /nfs/dbraw/zinc/80/79/70/387807970.db2.gz GHZITGUZFMRKTN-VXGBXAGGSA-N 2 0 228.380 1.373 20 0 BDADRP Cc1ccccc1OCC[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422949855 387808258 /nfs/dbraw/zinc/80/82/58/387808258.db2.gz URKZJUDHNAGPTN-LBPRGKRZSA-N 2 0 234.343 1.571 20 0 BDADRP Cc1nccn1C[C@H](C)C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422952484 387808936 /nfs/dbraw/zinc/80/89/36/387808936.db2.gz CNEJFMRJBOSBBG-GRYCIOLGSA-N 2 0 238.379 1.543 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCc1cccc(F)c1F ZINC000422956839 387810063 /nfs/dbraw/zinc/81/00/63/387810063.db2.gz MEIMCZOTNDVHAA-NWDGAFQWSA-N 2 0 240.297 1.977 20 0 BDADRP C[C@@H]1CCN(CC[NH2+][C@@H]2CCOC[C@@H]2C)C1 ZINC000309507052 387811538 /nfs/dbraw/zinc/81/15/38/387811538.db2.gz WFMZUAARTFMSNS-FRRDWIJNSA-N 2 0 226.364 1.343 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCOc2ccccc21)C1C[NH2+]C1 ZINC000422885828 387760838 /nfs/dbraw/zinc/76/08/38/387760838.db2.gz HGVHOOJLPGINFJ-VXGBXAGGSA-N 2 0 246.354 1.750 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@@H](C)c1cccnc1 ZINC000422889179 387760984 /nfs/dbraw/zinc/76/09/84/387760984.db2.gz OVKBLKXRNAJDOJ-MXWKQRLJSA-N 2 0 207.321 1.858 20 0 BDADRP C[C@H]([NH3+])CN(CCO)[C@H]1CCCc2ccccc21 ZINC000442666884 387819961 /nfs/dbraw/zinc/81/99/61/387819961.db2.gz XDXAKVBDOTVARV-WFASDCNBSA-N 2 0 248.370 1.706 20 0 BDADRP CC(C)[C@@](C)(O)C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422974570 387824646 /nfs/dbraw/zinc/82/46/46/387824646.db2.gz FJPQQSRCVKVCGJ-UPJWGTAASA-N 2 0 228.380 1.371 20 0 BDADRP CCC(CC)(CO)C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000423003233 387826352 /nfs/dbraw/zinc/82/63/52/387826352.db2.gz LDHAIHYEFQKOGK-QWRGUYRKSA-N 2 0 214.353 1.255 20 0 BDADRP C[C@@H](CO)[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423004793 387827415 /nfs/dbraw/zinc/82/74/15/387827415.db2.gz KUICJFAACWYWHP-WUHRBBMRSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCc2cn(C)cn2)CC[N@@H+]1C ZINC000313313861 387828352 /nfs/dbraw/zinc/82/83/52/387828352.db2.gz ZSGGOFHFLBSNCA-VXGBXAGGSA-N 2 0 236.363 1.035 20 0 BDADRP CC[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)[C@@H]1CCC[NH2+]1 ZINC000423006908 387830009 /nfs/dbraw/zinc/83/00/09/387830009.db2.gz PKZGIRJODPOWMZ-XUXIUFHCSA-N 2 0 240.391 1.658 20 0 BDADRP COc1cccnc1N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000528026255 387830274 /nfs/dbraw/zinc/83/02/74/387830274.db2.gz NWOXKBXNGXDUNK-CQSZACIVSA-N 2 0 247.342 1.622 20 0 BDADRP CC(C)c1nnc([C@H](C)[NH2+][C@@H](C)CCC[NH3+])[nH]1 ZINC000423009141 387830641 /nfs/dbraw/zinc/83/06/41/387830641.db2.gz CHPFACCDWYEZSM-UWVGGRQHSA-N 2 0 239.367 1.706 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCNc1ccccn1 ZINC000423011384 387834005 /nfs/dbraw/zinc/83/40/05/387834005.db2.gz ZKJRVUKDJYKRML-CHWSQXEVSA-N 2 0 248.374 1.743 20 0 BDADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423013147 387836863 /nfs/dbraw/zinc/83/68/63/387836863.db2.gz FFENVEBAYRSRKQ-RFQIPJPRSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CC1([C@H](C)CCO)CCC1 ZINC000423014796 387838935 /nfs/dbraw/zinc/83/89/35/387838935.db2.gz JKDUKDZAICHDNA-CHWSQXEVSA-N 2 0 242.407 1.892 20 0 BDADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)CCC[NH3+] ZINC000423017276 387840617 /nfs/dbraw/zinc/84/06/17/387840617.db2.gz OGJCNAGOTCPEJF-QJPTWQEYSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCO[C@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000423017874 387840652 /nfs/dbraw/zinc/84/06/52/387840652.db2.gz PSJWPCNQLTZBIR-FVCCEPFGSA-N 2 0 226.364 1.674 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCSCC(F)(F)F ZINC000423018965 387841065 /nfs/dbraw/zinc/84/10/65/387841065.db2.gz SQXXOLLTEIBEGH-YUMQZZPRSA-N 2 0 244.326 1.997 20 0 BDADRP C[C@H]([NH2+][C@H]1CCO[C@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000423017877 387841775 /nfs/dbraw/zinc/84/17/75/387841775.db2.gz PSJWPCNQLTZBIR-VOAKCMCISA-N 2 0 226.364 1.674 20 0 BDADRP CCC(O)(CC)CC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000423073359 387873725 /nfs/dbraw/zinc/87/37/25/387873725.db2.gz RDWSTJCJWQXVMQ-OLZOCXBDSA-N 2 0 242.407 1.905 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NCC[C@H](C)[NH+]1CCCCC1 ZINC000423026835 387843738 /nfs/dbraw/zinc/84/37/38/387843738.db2.gz CEBJZNVAWUKFTC-MJBXVCDLSA-N 2 0 241.423 1.966 20 0 BDADRP C[C@@H](CCN[C@@H](C)C1C[NH2+]C1)[NH+]1CCCCC1 ZINC000423026500 387844085 /nfs/dbraw/zinc/84/40/85/387844085.db2.gz BJPYKJDDPRSGGR-STQMWFEESA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCCN(C)[C@H]1C ZINC000423034250 387848075 /nfs/dbraw/zinc/84/80/75/387848075.db2.gz PQGYXWQDTSVAKB-AGIUHOORSA-N 2 0 227.396 1.576 20 0 BDADRP C[C@H](N[C@H]1CCC[N@H+](C)[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000423032734 387848922 /nfs/dbraw/zinc/84/89/22/387848922.db2.gz NBGCKNMQVKTMKI-RVMXOQNASA-N 2 0 225.380 1.199 20 0 BDADRP CC1=CCN(CC[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000423032181 387849237 /nfs/dbraw/zinc/84/92/37/387849237.db2.gz DZXWABZCQJUVST-ZIAGYGMSSA-N 2 0 237.391 1.226 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1cncc(F)c1 ZINC000423032882 387849578 /nfs/dbraw/zinc/84/95/78/387849578.db2.gz NJOKIKFPTBCUOC-NXEZZACHSA-N 2 0 225.311 1.999 20 0 BDADRP CC(C)OCCCC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423036250 387850743 /nfs/dbraw/zinc/85/07/43/387850743.db2.gz SVHBYSDHGSQYBQ-NWDGAFQWSA-N 2 0 216.369 1.907 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000423037435 387851549 /nfs/dbraw/zinc/85/15/49/387851549.db2.gz BQWGHCUFXTXQEW-NWDGAFQWSA-N 3 0 227.396 1.434 20 0 BDADRP C[C@H]1C[C@H]1C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000433027815 387851985 /nfs/dbraw/zinc/85/19/85/387851985.db2.gz XBUBOENTJIYYPH-MJBXVCDLSA-N 2 0 240.391 1.733 20 0 BDADRP CC(C)C[C@@H]1C[C@@H]([NH2+][C@H](C)C2C[NH2+]C2)CCO1 ZINC000423039931 387853084 /nfs/dbraw/zinc/85/30/84/387853084.db2.gz GFRFJGXFGOJQHH-KWCYVHTRSA-N 2 0 240.391 1.778 20 0 BDADRP C(C[C@H]1CCCCO1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423043986 387854923 /nfs/dbraw/zinc/85/49/23/387854923.db2.gz QIQREQYIMBFIIK-QNMSZWNNSA-N 2 0 238.375 1.818 20 0 BDADRP C/C=C\C[C@H](CO)[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423045322 387855080 /nfs/dbraw/zinc/85/50/80/387855080.db2.gz BZPBOJBOEJMYJP-OZUGTNHESA-N 2 0 200.326 1.029 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCOC(F)(F)F ZINC000423072891 387874246 /nfs/dbraw/zinc/87/42/46/387874246.db2.gz QKBPVQBXVNTADD-RNFRBKRXSA-N 2 0 214.231 1.238 20 0 BDADRP CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)CCCC[NH3+] ZINC000423042096 387855587 /nfs/dbraw/zinc/85/55/87/387855587.db2.gz YOWHRVOECNXPGF-RWMBFGLXSA-N 2 0 244.379 1.288 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000423042328 387855923 /nfs/dbraw/zinc/85/59/23/387855923.db2.gz KPKBOVWUEJUPMK-IJLUTSLNSA-N 2 0 212.337 1.415 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](C)C(F)(F)F ZINC000423051897 387859999 /nfs/dbraw/zinc/85/99/99/387859999.db2.gz OOGKCFGRXOOMBW-FXQIFTODSA-N 2 0 212.259 1.900 20 0 BDADRP CCn1cc([C@@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)cn1 ZINC000643534808 387860322 /nfs/dbraw/zinc/86/03/22/387860322.db2.gz DALJZUOOVJFSEC-YPMHNXCESA-N 2 0 248.374 1.696 20 0 BDADRP COC[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)C(C)C ZINC000643535094 387861720 /nfs/dbraw/zinc/86/17/20/387861720.db2.gz IYGJKELYLYARGN-NWDGAFQWSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H](CCO)c1ccco1 ZINC000423055954 387861982 /nfs/dbraw/zinc/86/19/82/387861982.db2.gz XHFYWTOULOTGIC-VXGBXAGGSA-N 2 0 240.347 1.810 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12)[C@@H]1CCC[NH2+]1 ZINC000423061659 387864758 /nfs/dbraw/zinc/86/47/58/387864758.db2.gz RDNVZIQOMOXLEX-NWBUJAPZSA-N 2 0 224.348 1.284 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCOCC(F)F ZINC000423072910 387874530 /nfs/dbraw/zinc/87/45/30/387874530.db2.gz QNLSFAUEDXHHMX-ZJUUUORDSA-N 2 0 236.306 1.518 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)[C@H]1C[C@H]1C ZINC000643535881 387865407 /nfs/dbraw/zinc/86/54/07/387865407.db2.gz KIZZGGLWDONMKN-WYUUTHIRSA-N 2 0 208.349 1.763 20 0 BDADRP CCC(O)(CC)CC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423075496 387874631 /nfs/dbraw/zinc/87/46/31/387874631.db2.gz XCVKOJFQFWWVIE-WDEREUQCSA-N 2 0 216.369 1.643 20 0 BDADRP CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000423068002 387869281 /nfs/dbraw/zinc/86/92/81/387869281.db2.gz JEBGUOBKIARBBH-DCAQKATOSA-N 2 0 202.342 1.517 20 0 BDADRP CCN(C)CC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000194000446 387870050 /nfs/dbraw/zinc/87/00/50/387870050.db2.gz LVWYLSHOZSLHJJ-FRRDWIJNSA-N 2 0 238.375 1.485 20 0 BDADRP CO[C@@H]1CC[C@@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000423067673 387870205 /nfs/dbraw/zinc/87/02/05/387870205.db2.gz HUFIMZOVQFYRRT-QCNOEVLYSA-N 2 0 212.337 1.284 20 0 BDADRP CCC(C)(C)C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000423070487 387871245 /nfs/dbraw/zinc/87/12/45/387871245.db2.gz CVBYEHVOZLAHST-IJLUTSLNSA-N 2 0 228.380 1.765 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCOC(F)(F)F ZINC000423068452 387871877 /nfs/dbraw/zinc/87/18/77/387871877.db2.gz JVJITIHRNOLIOM-RKDXNWHRSA-N 2 0 240.269 1.772 20 0 BDADRP CCN(Cc1ccc2c(c1)OCO2)C[C@@H](C)[NH3+] ZINC000442658384 387814641 /nfs/dbraw/zinc/81/46/41/387814641.db2.gz IRLVTOUIIRSWAN-SNVBAGLBSA-N 2 0 236.315 1.584 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCc1ccc(CO)cc1 ZINC000643478242 387814920 /nfs/dbraw/zinc/81/49/20/387814920.db2.gz KPPACLWDZOWIML-LSDHHAIUSA-N 2 0 248.370 1.438 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCc1ccc(CO)cc1 ZINC000643478239 387815793 /nfs/dbraw/zinc/81/57/93/387815793.db2.gz KPPACLWDZOWIML-CABCVRRESA-N 2 0 248.370 1.438 20 0 BDADRP CC(C)[C@H](CN[C@@H](C)C[C@H](C)[NH3+])[NH+]1CCCC1 ZINC000422968107 387816387 /nfs/dbraw/zinc/81/63/87/387816387.db2.gz VPCQWIMVDFFNQW-IHRRRGAJSA-N 2 0 241.423 1.822 20 0 BDADRP C[C@@H]([NH3+])CN1CC[NH+](CC2CCCCC2)CC1 ZINC000442661021 387817765 /nfs/dbraw/zinc/81/77/65/387817765.db2.gz FDGFEAQMLHLWDJ-CYBMUJFWSA-N 2 0 239.407 1.532 20 0 BDADRP C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000423101414 387890071 /nfs/dbraw/zinc/89/00/71/387890071.db2.gz CWINPDHIWIHZCO-YVECIDJPSA-N 2 0 226.364 1.376 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000423106965 387890523 /nfs/dbraw/zinc/89/05/23/387890523.db2.gz KCLPLUZRKUMGRI-XKNYDFJKSA-N 2 0 218.291 1.890 20 0 BDADRP CCCN1CCC[C@H]1C[NH2+][C@H](C)CCC[NH3+] ZINC000423106987 387891215 /nfs/dbraw/zinc/89/12/15/387891215.db2.gz KDVQYQUJBDJCHI-OLZOCXBDSA-N 2 0 227.396 1.578 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000423110131 387892496 /nfs/dbraw/zinc/89/24/96/387892496.db2.gz UOYLCEQCYVRMMD-LLVKDONJSA-N 2 0 246.358 1.822 20 0 BDADRP C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000423108419 387893766 /nfs/dbraw/zinc/89/37/66/387893766.db2.gz MDGQSNCNFDWQMA-XJFOESAGSA-N 2 0 240.391 1.766 20 0 BDADRP OCC[C@@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000444627447 387895848 /nfs/dbraw/zinc/89/58/48/387895848.db2.gz AGRVRQUSKUVPJG-AWEZNQCLSA-N 2 0 240.391 1.709 20 0 BDADRP CO[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)CCC[NH3+] ZINC000423116533 387897596 /nfs/dbraw/zinc/89/75/96/387897596.db2.gz QGNYSOWXJJRWIA-SRVKXCTJSA-N 2 0 214.353 1.661 20 0 BDADRP CCSCCC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000423117904 387898050 /nfs/dbraw/zinc/89/80/50/387898050.db2.gz XTIWEDPJXXDWRD-QJPTWQEYSA-N 2 0 246.420 1.472 20 0 BDADRP CCOC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000423076432 387876029 /nfs/dbraw/zinc/87/60/29/387876029.db2.gz ZECDIXCOFSMUQU-QNMSZWNNSA-N 2 0 240.391 1.920 20 0 BDADRP CC[C@@](C)(C[NH2+]CC1CC[NH+](C)CC1)OC ZINC000322509719 387876202 /nfs/dbraw/zinc/87/62/02/387876202.db2.gz IPSJUDAGNSDWPM-ZDUSSCGKSA-N 2 0 228.380 1.733 20 0 BDADRP CCNC(=O)C1(C[NH2+][C@H](C)C[C@@H](C)[NH3+])CCC1 ZINC000423081221 387876273 /nfs/dbraw/zinc/87/62/73/387876273.db2.gz UQXLBKQMVNWPBB-GHMZBOCLSA-N 2 0 241.379 1.008 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423082934 387877817 /nfs/dbraw/zinc/87/78/17/387877817.db2.gz FHGUHLBZIBCYAX-HZSPNIEDSA-N 2 0 241.423 1.966 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCCCCO ZINC000423082861 387878865 /nfs/dbraw/zinc/87/88/65/387878865.db2.gz DXCYNHBRRVJDJQ-NEPJUHHUSA-N 2 0 214.353 1.399 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])C1 ZINC000643540060 387880687 /nfs/dbraw/zinc/88/06/87/387880687.db2.gz CJUSEVFQGYIGKQ-XWLWVQCSSA-N 2 0 200.326 1.269 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423086217 387881097 /nfs/dbraw/zinc/88/10/97/387881097.db2.gz MKYBVLLMBAHOBN-HZSPNIEDSA-N 2 0 241.423 1.837 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000423090000 387882013 /nfs/dbraw/zinc/88/20/13/387882013.db2.gz WITFDHBGUSQKDM-HZSPNIEDSA-N 2 0 241.423 1.824 20 0 BDADRP CC(C)(C)CC[C@@H](CO)[NH2+]C1CC[NH2+]CC1 ZINC000423097013 387886682 /nfs/dbraw/zinc/88/66/82/387886682.db2.gz QJDJPRNZXGNSNA-LBPRGKRZSA-N 2 0 228.380 1.515 20 0 BDADRP COCC1(C[NH2+][C@H]2CCC[C@H]2[NH3+])CCC1 ZINC000423104500 387888267 /nfs/dbraw/zinc/88/82/67/387888267.db2.gz BPLSFRZFGWVXPE-MNOVXSKESA-N 2 0 212.337 1.273 20 0 BDADRP C[C@H](CCO)CC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000423142919 387919772 /nfs/dbraw/zinc/91/97/72/387919772.db2.gz BQERAFJCXLMNNF-XQQFMLRXSA-N 2 0 228.380 1.645 20 0 BDADRP COCC(C)(C)CCC[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000423124502 387903112 /nfs/dbraw/zinc/90/31/12/387903112.db2.gz MOUDVSGDGIXJJU-NSHDSACASA-N 2 0 228.380 1.637 20 0 BDADRP COCC(C)(C)CCC[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000423133687 387911872 /nfs/dbraw/zinc/91/18/72/387911872.db2.gz VVQPONYZOHYDDL-NWDGAFQWSA-N 2 0 228.380 1.909 20 0 BDADRP COc1ncccc1CC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423139032 387915718 /nfs/dbraw/zinc/91/57/18/387915718.db2.gz JZWXPBDPEXRWAH-WDEREUQCSA-N 2 0 237.347 1.348 20 0 BDADRP C[C@H](F)CC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000423138794 387916332 /nfs/dbraw/zinc/91/63/32/387916332.db2.gz UCVYXQBTWSXSSW-HBNTYKKESA-N 2 0 202.317 1.984 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000423151251 387929428 /nfs/dbraw/zinc/92/94/28/387929428.db2.gz CEZKPZRAOFFUHZ-MROQNXINSA-N 2 0 226.364 1.255 20 0 BDADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000392198427 387935324 /nfs/dbraw/zinc/93/53/24/387935324.db2.gz WDDSFRVVPTVEEY-UONOGXRCSA-N 3 0 237.391 1.355 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000423156823 387936270 /nfs/dbraw/zinc/93/62/70/387936270.db2.gz LQJWBEFMQNKYAY-JHJVBQTASA-N 2 0 228.380 1.515 20 0 BDADRP CCn1cc([C@H](C)[NH2+][C@H](C)C[C@@H](C)[NH3+])cn1 ZINC000423160650 387936490 /nfs/dbraw/zinc/93/64/90/387936490.db2.gz MLULWHILQDVJNQ-MXWKQRLJSA-N 2 0 224.352 1.679 20 0 BDADRP CCC[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+])OC ZINC000423144169 387920868 /nfs/dbraw/zinc/92/08/68/387920868.db2.gz GFGWTFPZTBVXAY-FVCCEPFGSA-N 2 0 244.379 1.143 20 0 BDADRP COCC1(C[NH2+][C@H](C)C2C[NH2+]C2)CCCCC1 ZINC000423143622 387921320 /nfs/dbraw/zinc/92/13/20/387921320.db2.gz XOXWERBVHFPLOF-GFCCVEGCSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCC[C@@H]1F ZINC000423145070 387921723 /nfs/dbraw/zinc/92/17/23/387921723.db2.gz IYMGIZSQADOHFC-GARJFASQSA-N 2 0 202.317 1.984 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@H](CO)C1CC1 ZINC000423144853 387922250 /nfs/dbraw/zinc/92/22/50/387922250.db2.gz ZRBQPCLHNQZGCL-UPJWGTAASA-N 2 0 226.364 1.255 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCCC1CCOCC1 ZINC000423145142 387922879 /nfs/dbraw/zinc/92/28/79/387922879.db2.gz JGBKANNXFDWUNV-OLZOCXBDSA-N 2 0 226.364 1.663 20 0 BDADRP CCC[C@H](C[NH2+][C@H]1CCC[C@@H]1[NH3+])OC ZINC000423146409 387923705 /nfs/dbraw/zinc/92/37/05/387923705.db2.gz PDUTVKKRORFNNN-VWYCJHECSA-N 2 0 200.326 1.271 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000423147226 387926351 /nfs/dbraw/zinc/92/63/51/387926351.db2.gz RKYUIEFIACKBIF-USZNOCQGSA-N 2 0 214.328 1.855 20 0 BDADRP CC[C@@H]([NH2+][C@@H](C)CCCCO)[C@@H]1CCC[NH2+]1 ZINC000423150247 387927013 /nfs/dbraw/zinc/92/70/13/387927013.db2.gz BIPIUBGHQBRGOX-XQQFMLRXSA-N 2 0 228.380 1.658 20 0 BDADRP C[C@@H](CCCCO)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423149697 387928486 /nfs/dbraw/zinc/92/84/86/387928486.db2.gz AXLIXYVZLMKXNI-SDDRHHMPSA-N 2 0 214.353 1.268 20 0 BDADRP CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000423168118 387952400 /nfs/dbraw/zinc/95/24/00/387952400.db2.gz GSZUAXDHCUFGQU-RYMFRWLXSA-N 2 0 240.391 1.763 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000423167469 387953300 /nfs/dbraw/zinc/95/33/00/387953300.db2.gz WSKKRJKITNHRSL-RWMBFGLXSA-N 2 0 226.364 1.615 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423170111 387954550 /nfs/dbraw/zinc/95/45/50/387954550.db2.gz XNLFBTMTUOWJDE-BQUFFADESA-N 2 0 208.349 1.763 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CCN1CCCC1(C)C ZINC000423168928 387955330 /nfs/dbraw/zinc/95/53/30/387955330.db2.gz VKPONTASUYYVLM-ZDUSSCGKSA-N 2 0 241.423 1.968 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)C[C@H]2CCC[NH2+]2)c1 ZINC000424226349 387939767 /nfs/dbraw/zinc/93/97/67/387939767.db2.gz RNKKRBOGGLKJDF-GFCCVEGCSA-N 2 0 247.342 1.534 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCOCC1CCCC1 ZINC000423161827 387942723 /nfs/dbraw/zinc/94/27/23/387942723.db2.gz JTMZIVQVNNQEEW-NWDGAFQWSA-N 2 0 228.380 1.909 20 0 BDADRP Cc1ccc(CC[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)nc1 ZINC000423165770 387947801 /nfs/dbraw/zinc/94/78/01/387947801.db2.gz QHEJUOSMWYLQDF-ZFWWWQNUSA-N 2 0 247.386 1.910 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1COCC1(C)C ZINC000423165773 387948559 /nfs/dbraw/zinc/94/85/59/387948559.db2.gz UVKIQGBMDJXDRF-LPEHRKFASA-N 2 0 200.326 1.127 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000423164879 387948566 /nfs/dbraw/zinc/94/85/66/387948566.db2.gz TWUJXHJPUUPVPE-RWMBFGLXSA-N 2 0 228.380 1.645 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCN2CC=CCC2)C1 ZINC000392280705 387950155 /nfs/dbraw/zinc/95/01/55/387950155.db2.gz HOMAEYQOLUUERF-STQMWFEESA-N 2 0 223.364 1.108 20 0 BDADRP CC[C@H](C)[C@H](C[NH2+][C@@H](C)C1C[NH2+]C1)OC ZINC000423165958 387951050 /nfs/dbraw/zinc/95/10/50/387951050.db2.gz YNEXBUJWVGZDMM-NHCYSSNCSA-N 2 0 214.353 1.245 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2C[NH3+])C12CCC2 ZINC000423172849 387959639 /nfs/dbraw/zinc/95/96/39/387959639.db2.gz VQJRZUFFRKIGOZ-ZDEQEGDKSA-N 2 0 238.375 1.661 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000423176492 387961714 /nfs/dbraw/zinc/96/17/14/387961714.db2.gz GCQWOMJNJXVTCQ-ITGHMWBKSA-N 2 0 240.391 1.920 20 0 BDADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccnc1 ZINC000423175583 387962454 /nfs/dbraw/zinc/96/24/54/387962454.db2.gz DXVKKJSDJRXWKY-CYBMUJFWSA-N 2 0 248.374 1.028 20 0 BDADRP CC[C@@H]([NH2+]CCCN1CC[NH2+]CC1)C(C)C ZINC000423177251 387964572 /nfs/dbraw/zinc/96/45/72/387964572.db2.gz IRSXQONKHKTLIO-CYBMUJFWSA-N 2 0 227.396 1.306 20 0 BDADRP CC[C@H]([NH2+]C1CCC(C[NH3+])CC1)[C@H](O)C(C)C ZINC000423187403 387972158 /nfs/dbraw/zinc/97/21/58/387972158.db2.gz PHBJQVXBQVDDGC-CLRIEMFWSA-N 2 0 242.407 1.889 20 0 BDADRP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H](O)C(C)C ZINC000423179210 387966533 /nfs/dbraw/zinc/96/65/33/387966533.db2.gz JFEZYOUJDDYFBG-YJBUHQLJSA-N 2 0 240.391 1.655 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]CCC[NH3+])C1(CC)CC ZINC000423184364 387970190 /nfs/dbraw/zinc/97/01/90/387970190.db2.gz IMMOBDLHSFRARB-NWDGAFQWSA-N 2 0 228.380 1.909 20 0 BDADRP CC[C@@H]1CC[C@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423188035 387971639 /nfs/dbraw/zinc/97/16/39/387971639.db2.gz PNNHZWYMPJSGFX-CHWSQXEVSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000423170321 387957113 /nfs/dbraw/zinc/95/71/13/387957113.db2.gz LPGAUAPLKRVLMD-AVGNSLFASA-N 3 0 227.396 1.434 20 0 BDADRP C[C@H](NCC[N@@H+]1CCCC1(C)C)[C@@H]1CCC[NH2+]1 ZINC000423170395 387957339 /nfs/dbraw/zinc/95/73/39/387957339.db2.gz XYFMNDQJRZYKBO-STQMWFEESA-N 2 0 239.407 1.591 20 0 BDADRP C[C@H]([NH2+]CCC[NH3+])c1cccc(CO)c1 ZINC000423195182 387979150 /nfs/dbraw/zinc/97/91/50/387979150.db2.gz SLTQEZOSZAJJKW-JTQLQIEISA-N 2 0 208.305 1.178 20 0 BDADRP C[C@H](C[NH3+])c1nc(C2([NH3+])CCCCC2)no1 ZINC000424338960 387980176 /nfs/dbraw/zinc/98/01/76/387980176.db2.gz BNOCZQOAXCPORB-MRVPVSSYSA-N 2 0 224.308 1.250 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423188863 387973633 /nfs/dbraw/zinc/97/36/33/387973633.db2.gz QRIQWRFYRWXHDV-QMVSFRDZSA-N 2 0 240.391 1.920 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H]1C)[C@H]1CCC[NH2+]1 ZINC000423191364 387975937 /nfs/dbraw/zinc/97/59/37/387975937.db2.gz SRFCNEKEYDCIDB-NZEXEKPDSA-N 2 0 226.364 1.530 20 0 BDADRP CCC[C@H](N)c1nc(C2([NH3+])CCCCC2)no1 ZINC000424331317 387977007 /nfs/dbraw/zinc/97/70/07/387977007.db2.gz AEOYRXRCTPXUAY-VIFPVBQESA-N 2 0 238.335 1.988 20 0 BDADRP COc1ccc2c(c1F)CC[C@H]2[NH2+]CCC[NH3+] ZINC000423192621 387977774 /nfs/dbraw/zinc/97/77/74/387977774.db2.gz PVQMHNQNLLKFJD-LLVKDONJSA-N 2 0 238.306 1.760 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1C[C@H](C)O[C@H]1C ZINC000423192312 387977953 /nfs/dbraw/zinc/97/79/53/387977953.db2.gz ULXTXPUJQBAINX-HTFCKZLJSA-N 2 0 214.353 1.515 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1C[C@H](C)O[C@@H]1C ZINC000423192313 387977963 /nfs/dbraw/zinc/97/79/63/387977963.db2.gz ULXTXPUJQBAINX-NGDQXYMTSA-N 2 0 214.353 1.515 20 0 BDADRP [NH3+]CCC[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000423192092 387978368 /nfs/dbraw/zinc/97/83/68/387978368.db2.gz PHZKNMFILXGILU-GFCCVEGCSA-N 2 0 220.316 1.708 20 0 BDADRP CC[C@@H]([NH2+]CCN1CC[NH2+]CC1)[C@H]1CC1(C)C ZINC000423200880 387987667 /nfs/dbraw/zinc/98/76/67/387987667.db2.gz GUDDPIAWFHINGT-CHWSQXEVSA-N 2 0 239.407 1.306 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423202604 387988359 /nfs/dbraw/zinc/98/83/59/387988359.db2.gz BCUPMWWTDATXNN-RDBSUJKOSA-N 2 0 240.391 1.781 20 0 BDADRP Cc1ccc([C@H](C)[NH2+]CCN2CC[NH2+]CC2)cc1 ZINC000423204142 387989282 /nfs/dbraw/zinc/98/92/82/387989282.db2.gz NSNGJZUTSIANGD-AWEZNQCLSA-N 2 0 247.386 1.551 20 0 BDADRP CCOC[C@H]1CCC[C@H]1[NH2+]CCC[NH2+]C ZINC000423202810 387989308 /nfs/dbraw/zinc/98/93/08/387989308.db2.gz RFEGVYBWHIDXAH-VXGBXAGGSA-N 2 0 214.353 1.391 20 0 BDADRP CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cnn(C)c1 ZINC000423203528 387989790 /nfs/dbraw/zinc/98/97/90/387989790.db2.gz CLKUPRSHHLHVGN-DGCLKSJQSA-N 2 0 236.363 1.460 20 0 BDADRP CC[C@@H]([NH2+]CCN1CC[NH2+]CC1)C1CCCC1 ZINC000423204676 387991257 /nfs/dbraw/zinc/99/12/57/387991257.db2.gz OMAVXJKHJNYQHL-CQSZACIVSA-N 2 0 239.407 1.450 20 0 BDADRP C[C@@H]1CC[C@H](C)[N@H+](CCOCC[NH3+])C1 ZINC000086435897 135084804 /nfs/dbraw/zinc/08/48/04/135084804.db2.gz CYAZNSCOQXMAGU-MNOVXSKESA-N 2 0 200.326 1.082 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000424369919 387994422 /nfs/dbraw/zinc/99/44/22/387994422.db2.gz RYOYXMBKMFXHTI-IJLUTSLNSA-N 2 0 212.337 1.273 20 0 BDADRP C[C@@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424369574 387995160 /nfs/dbraw/zinc/99/51/60/387995160.db2.gz RHNANCJPJZGICT-WUHRBBMRSA-N 2 0 225.380 1.377 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)NCC1([NH3+])CCCCCC1 ZINC000423198369 387983442 /nfs/dbraw/zinc/98/34/42/387983442.db2.gz FNMSNCBTSIOOAL-VXGBXAGGSA-N 2 0 227.396 1.754 20 0 BDADRP C(CN1CC[NH2+]CC1)[NH2+][C@H](C1CC1)C1CCC1 ZINC000423200459 387985904 /nfs/dbraw/zinc/98/59/04/387985904.db2.gz FSPSFLOGRUJCMQ-AWEZNQCLSA-N 2 0 237.391 1.060 20 0 BDADRP C[C@@H]1C[C@H](NC[C@H]2CCC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000423214326 387997632 /nfs/dbraw/zinc/99/76/32/387997632.db2.gz OQDYPNZMAIBJBW-AGIUHOORSA-N 2 0 237.391 1.201 20 0 BDADRP CC[N@@H+]1C[C@@H](C)[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000423216106 387997971 /nfs/dbraw/zinc/99/79/71/387997971.db2.gz PLCPOCSXHZXXPX-YIPFDTCYSA-N 2 0 237.391 1.199 20 0 BDADRP COCC1CCC([NH2+]C[C@@H]2CCC[NH2+]C2)CC1 ZINC000423216682 388000238 /nfs/dbraw/zinc/00/02/38/388000238.db2.gz SIYPXOCICBONMX-ROKHWSDSSA-N 2 0 240.391 1.781 20 0 BDADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000423221685 388002503 /nfs/dbraw/zinc/00/25/03/388002503.db2.gz XQOCZJYYHVVVBH-IGQOVBAYSA-N 2 0 239.407 1.304 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000423226416 388009591 /nfs/dbraw/zinc/00/95/91/388009591.db2.gz QPZRDRRWOQUKMS-QCNOEVLYSA-N 2 0 226.364 1.517 20 0 BDADRP CC[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](C)COC)C1 ZINC000309671745 388010413 /nfs/dbraw/zinc/01/04/13/388010413.db2.gz WFZZUAOJLDDSHW-STQMWFEESA-N 2 0 228.380 1.590 20 0 BDADRP [NH3+][C@H](CN[C@@H]1CCCCC[C@H]1[NH3+])c1ccccc1 ZINC000423240269 388024490 /nfs/dbraw/zinc/02/44/90/388024490.db2.gz BZQYNUFNUGMWEQ-RBSFLKMASA-N 2 0 247.386 1.936 20 0 BDADRP [NH3+][C@H](CN[C@@H]1CCCCC[C@@H]1[NH3+])c1ccccc1 ZINC000423240270 388024630 /nfs/dbraw/zinc/02/46/30/388024630.db2.gz BZQYNUFNUGMWEQ-RRFJBIMHSA-N 2 0 247.386 1.936 20 0 BDADRP CC[NH2+]CCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423242795 388025627 /nfs/dbraw/zinc/02/56/27/388025627.db2.gz VWBDNMGWTUWFRH-BFHYXJOUSA-N 2 0 239.407 1.496 20 0 BDADRP CC[C@H]([NH2+]CC[C@H](C)[NH3+])c1ccc(F)cn1 ZINC000423228317 388013504 /nfs/dbraw/zinc/01/35/04/388013504.db2.gz ZDDXNYHQDCPJEV-ONGXEEELSA-N 2 0 225.311 1.999 20 0 BDADRP Cc1ccnc([C@H](C)[NH2+]CC[C@H](C)[NH3+])c1 ZINC000423228289 388014120 /nfs/dbraw/zinc/01/41/20/388014120.db2.gz YZLPMYNUXSNLKS-QWRGUYRKSA-N 2 0 207.321 1.778 20 0 BDADRP [NH3+][C@@H]1C[C@@H](NC[C@H]2CCC[NH2+]2)c2ccccc21 ZINC000423230492 388015044 /nfs/dbraw/zinc/01/50/44/388015044.db2.gz DTECSZIJYKTCNH-LERXQTSPSA-N 2 0 231.343 1.473 20 0 BDADRP C[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH2+]2)[C@@H]2CCC[C@@H]21 ZINC000423229546 388015579 /nfs/dbraw/zinc/01/55/79/388015579.db2.gz BLDZYQWTPAHNLR-XUXIUFHCSA-N 2 0 237.391 1.201 20 0 BDADRP C[NH+](C)CCOCC[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453227606 388016023 /nfs/dbraw/zinc/01/60/23/388016023.db2.gz RVYBMIAMOGVKQZ-CQSZACIVSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H]([NH3+])c1ccccc1 ZINC000423238392 388022120 /nfs/dbraw/zinc/02/21/20/388022120.db2.gz ADEASRPINKRBQP-BNOWGMLFSA-N 2 0 233.359 1.274 20 0 BDADRP COC[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)C(C)C ZINC000423254451 388035737 /nfs/dbraw/zinc/03/57/37/388035737.db2.gz YCLDGGBKTXFFGR-RYUDHWBXSA-N 2 0 214.353 1.247 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423255810 388036397 /nfs/dbraw/zinc/03/63/97/388036397.db2.gz AUBRGMUEMHECKU-MELADBBJSA-N 3 0 239.407 1.483 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423255806 388036592 /nfs/dbraw/zinc/03/65/92/388036592.db2.gz AUBRGMUEMHECKU-HZSPNIEDSA-N 3 0 239.407 1.483 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423255811 388037124 /nfs/dbraw/zinc/03/71/24/388037124.db2.gz AUBRGMUEMHECKU-RDBSUJKOSA-N 3 0 239.407 1.483 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000082645597 388038881 /nfs/dbraw/zinc/03/88/81/388038881.db2.gz UAYGNPMQWHSRRN-YPMHNXCESA-N 2 0 219.332 1.641 20 0 BDADRP CC(C)C[C@@H](CN)[NH2+][C@@H](C)CCCC[NH3+] ZINC000423262371 388039969 /nfs/dbraw/zinc/03/99/69/388039969.db2.gz MFYALEBPEUFAFM-RYUDHWBXSA-N 2 0 215.385 1.467 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423260844 388040232 /nfs/dbraw/zinc/04/02/32/388040232.db2.gz QXKGAHGLEYXNHJ-QJPTWQEYSA-N 2 0 214.353 1.389 20 0 BDADRP Cc1n[nH]cc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446884019 388042263 /nfs/dbraw/zinc/04/22/63/388042263.db2.gz KZXZGLKOXYWMLX-UHFFFAOYSA-N 2 0 248.374 1.682 20 0 BDADRP CSCC[N@H+](C)CC1CC[NH2+]CC1 ZINC000160042644 388043296 /nfs/dbraw/zinc/04/32/96/388043296.db2.gz ACPLSWSKLYIVGW-UHFFFAOYSA-N 2 0 202.367 1.281 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446885431 388044140 /nfs/dbraw/zinc/04/41/40/388044140.db2.gz WNHCSBFRDAWXNU-FZMZJTMJSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H](N)c1ccccc1 ZINC000423244953 388027709 /nfs/dbraw/zinc/02/77/09/388027709.db2.gz ICMZNBSLEGIRCU-DGCLKSJQSA-N 2 0 221.348 1.403 20 0 BDADRP CC[C@H]([NH2+]C[C@@H](C)C[NH2+]C)[C@@H]1CCOC1 ZINC000423266097 388044241 /nfs/dbraw/zinc/04/42/41/388044241.db2.gz CTBUPHSHZMZNSS-TUAOUCFPSA-N 2 0 214.353 1.247 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCO2)[C@H]2CCC[C@@H]21 ZINC000453278682 388031080 /nfs/dbraw/zinc/03/10/80/388031080.db2.gz HZNYEXNYTPONCJ-MQYQWHSLSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])[C@@H]1CCC[NH2+]1 ZINC000423274085 388053551 /nfs/dbraw/zinc/05/35/51/388053551.db2.gz JUGYDUFAUOPDCR-QNWHQSFQSA-N 2 0 225.380 1.234 20 0 BDADRP COCC1CCC([NH2+]C[C@@H]([NH3+])C(C)C)CC1 ZINC000423274160 388054977 /nfs/dbraw/zinc/05/49/77/388054977.db2.gz LMHHYEBLEDOXDG-WXRRBKDZSA-N 2 0 228.380 1.765 20 0 BDADRP CC(C)[C@@H]([NH3+])C[NH2+][C@H]1C[C@@H](C)O[C@@H]1C ZINC000423278342 388061009 /nfs/dbraw/zinc/06/10/09/388061009.db2.gz QRNQTHVCACVUMO-ZNSHCXBVSA-N 2 0 200.326 1.125 20 0 BDADRP CCC([NH3+])(CC)CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000423283269 388064933 /nfs/dbraw/zinc/06/49/33/388064933.db2.gz FCVICCMNIYPKNM-CHWSQXEVSA-N 2 0 239.407 1.720 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCC[C@@H]1CCF ZINC000423285314 388069011 /nfs/dbraw/zinc/06/90/11/388069011.db2.gz ZINLJTWXOLGYCA-TUAOUCFPSA-N 2 0 216.344 1.960 20 0 BDADRP [NH3+]C[C@H]1CCCN(Cc2ccncc2Cl)C1 ZINC000084085317 388069602 /nfs/dbraw/zinc/06/96/02/388069602.db2.gz GAVTXDXGEWRKRM-SNVBAGLBSA-N 2 0 239.750 1.906 20 0 BDADRP CC(C)([NH3+])CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423288538 388072688 /nfs/dbraw/zinc/07/26/88/388072688.db2.gz SQRLUKNGWLDSTP-FRRDWIJNSA-N 2 0 239.407 1.624 20 0 BDADRP CCN1C[C@@H](C)[C@@H]([NH2+]CCc2cnc(C)cn2)C1 ZINC000453402740 388073390 /nfs/dbraw/zinc/07/33/90/388073390.db2.gz NPWCBPZUPHZVPJ-RISCZKNCSA-N 2 0 248.374 1.257 20 0 BDADRP CCC(CC)(C[NH3+])C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000447521826 388075821 /nfs/dbraw/zinc/07/58/21/388075821.db2.gz XGPBCBFTQZGXNG-WDEREUQCSA-N 2 0 241.379 1.008 20 0 BDADRP COCC[C@H](C)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453409450 388075995 /nfs/dbraw/zinc/07/59/95/388075995.db2.gz UFYSBZDOGMMNNE-LBPRGKRZSA-N 2 0 228.380 1.875 20 0 BDADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)C[NH3+])CC2 ZINC000423297148 388078230 /nfs/dbraw/zinc/07/82/30/388078230.db2.gz IYSDTCSNJZVZMQ-IINYFYTJSA-N 2 0 234.343 1.867 20 0 BDADRP CCC([NH3+])(CC)CN[C@@H]1CCC[C@H]1C[NH3+] ZINC000423296611 388078933 /nfs/dbraw/zinc/07/89/33/388078933.db2.gz ZNQLSPGDJSXACP-WDEREUQCSA-N 2 0 213.369 1.221 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@H]1CCCCC[C@H]1[NH3+] ZINC000423297775 388079406 /nfs/dbraw/zinc/07/94/06/388079406.db2.gz LUZRTBNYJCMJHA-UPJWGTAASA-N 2 0 227.396 1.754 20 0 BDADRP CCCC[C@@H](CN)[NH2+][C@H](C)CCC[NH3+] ZINC000423297859 388080246 /nfs/dbraw/zinc/08/02/46/388080246.db2.gz MECZRWXAKXKDRZ-MNOVXSKESA-N 2 0 201.358 1.221 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000423297368 388080271 /nfs/dbraw/zinc/08/02/71/388080271.db2.gz KAJOYTAACUWRRW-XQHKEYJVSA-N 2 0 238.375 1.519 20 0 BDADRP C[C@H]1C[N@H+](C)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000447584668 388080724 /nfs/dbraw/zinc/08/07/24/388080724.db2.gz GPPPMNJJMCTWBZ-APYLGABCSA-N 2 0 237.391 1.151 20 0 BDADRP CC[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000160727138 388085966 /nfs/dbraw/zinc/08/59/66/388085966.db2.gz LMBQXJKJYOZTOX-CHWSQXEVSA-N 2 0 228.380 1.611 20 0 BDADRP C[N@H+](CCCC[NH2+]CC[C@H]1CCOC1)C1CC1 ZINC000453598840 388089758 /nfs/dbraw/zinc/08/97/58/388089758.db2.gz QLRQVQULMVFXIG-ZDUSSCGKSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000086403147 388101400 /nfs/dbraw/zinc/10/14/00/388101400.db2.gz FICWTUPZLYAVQX-GRYCIOLGSA-N 2 0 222.336 1.131 20 0 BDADRP C1C[C@@H]([NH2+]C2C3CC4CC(C3)CC2C4)C[NH2+]1 ZINC000086727321 388107573 /nfs/dbraw/zinc/10/75/73/388107573.db2.gz MLBLKCCDCPNQKK-RVARXAPGSA-N 2 0 220.360 1.763 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1cnccc1C ZINC000423265659 388044761 /nfs/dbraw/zinc/04/47/61/388044761.db2.gz COCIBYHYXPZFMB-JQWIXIFHSA-N 2 0 221.348 1.896 20 0 BDADRP C[NH2+]C[C@H](C)CN[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000423269134 388048016 /nfs/dbraw/zinc/04/80/16/388048016.db2.gz GREAMFRDGUILDQ-SRVKXCTJSA-N 2 0 225.380 1.057 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1cn[nH]c1 ZINC000423268370 388048414 /nfs/dbraw/zinc/04/84/14/388048414.db2.gz GEJMWJOHWPKDGG-GHMZBOCLSA-N 2 0 222.336 1.450 20 0 BDADRP CC[C@H]([NH2+]C[C@@H](C)C[NH2+]C)c1ccncc1 ZINC000423269500 388050094 /nfs/dbraw/zinc/05/00/94/388050094.db2.gz GZFQPBSNCOBWIZ-AAEUAGOBSA-N 2 0 221.348 1.978 20 0 BDADRP CCC[NH2+][C@@H](C)C(=O)NCC1([NH3+])CCCCC1 ZINC000449064255 388137969 /nfs/dbraw/zinc/13/79/69/388137969.db2.gz UBUCKHOQNVKDTB-NSHDSACASA-N 2 0 241.379 1.152 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000449078568 388139825 /nfs/dbraw/zinc/13/98/25/388139825.db2.gz VNDIFQZYIJEKDW-UTUOFQBUSA-N 2 0 241.379 1.103 20 0 BDADRP C[C@H](Cc1ccoc1)[NH2+]C[C@H]1CCCN1C ZINC000449105625 388143163 /nfs/dbraw/zinc/14/31/63/388143163.db2.gz ZJANLRXIQBDJSL-DGCLKSJQSA-N 2 0 222.332 1.894 20 0 BDADRP C[C@@H](Cc1ccoc1)[NH2+]C[C@@H]1CCCN1C ZINC000449105624 388143277 /nfs/dbraw/zinc/14/32/77/388143277.db2.gz ZJANLRXIQBDJSL-AAEUAGOBSA-N 2 0 222.332 1.894 20 0 BDADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000449122591 388145229 /nfs/dbraw/zinc/14/52/29/388145229.db2.gz MAJFJPASPLJTET-MFKMUULPSA-N 2 0 241.379 1.007 20 0 BDADRP C1[NH2+]C[C@@H]2C[C@H]([NH2+][C@@H]3CCCSC3)CC[C@@H]12 ZINC000401038967 388257994 /nfs/dbraw/zinc/25/79/94/388257994.db2.gz SNKYZAZZVBGQJF-WUHRBBMRSA-N 2 0 240.416 1.860 20 0 BDADRP CC(C)(C)CC[NH2+]C[C@@H]1CCCN1CCCO ZINC000449384157 388189655 /nfs/dbraw/zinc/18/96/55/388189655.db2.gz AFFJRRBVWXETBT-ZDUSSCGKSA-N 2 0 242.407 1.859 20 0 BDADRP CC(C)C[C@H](C)[NH2+]C[C@H]1CCCN1CCCO ZINC000449387657 388191242 /nfs/dbraw/zinc/19/12/42/388191242.db2.gz MLDPSQYIHTXLLT-UONOGXRCSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@H]1[C@@H](CO)CC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000488750521 388193539 /nfs/dbraw/zinc/19/35/39/388193539.db2.gz UMCUWDLYZCPCGF-UONOGXRCSA-N 2 0 240.391 1.565 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(CC)COC2)[C@@H](C)C1 ZINC000449596901 388239597 /nfs/dbraw/zinc/23/95/97/388239597.db2.gz CSEQOOGJLICHIH-QWHCGFSZSA-N 2 0 240.391 1.733 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CC[C@H](C)[C@@H]1CO ZINC000191895193 388241201 /nfs/dbraw/zinc/24/12/01/388241201.db2.gz VADRAAFRJVPMJX-STQMWFEESA-N 2 0 228.380 1.421 20 0 BDADRP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000449619007 388244059 /nfs/dbraw/zinc/24/40/59/388244059.db2.gz MWYVHRZQQXHLLS-GXFFZTMASA-N 2 0 249.358 1.718 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000449646340 388247533 /nfs/dbraw/zinc/24/75/33/388247533.db2.gz NDPMFSIHAQCFLD-UTUOFQBUSA-N 2 0 241.379 1.008 20 0 BDADRP COC[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)C(C)C ZINC000336662691 388261400 /nfs/dbraw/zinc/26/14/00/388261400.db2.gz CPKPLUPSNKASLC-SRVKXCTJSA-N 2 0 214.353 1.245 20 0 BDADRP CC[NH+](CC)CCCN1CCC[C@@H](O)[C@@H]1C ZINC000451452489 388274538 /nfs/dbraw/zinc/27/45/38/388274538.db2.gz GXTCGMLTWMYJAW-QWHCGFSZSA-N 2 0 228.380 1.564 20 0 BDADRP C[C@@H]1CCN(C[C@@H]2CCCCO2)[C@H](C[NH3+])C1 ZINC000300036961 388346094 /nfs/dbraw/zinc/34/60/94/388346094.db2.gz FFSLGYPJOGVHIF-AGIUHOORSA-N 2 0 226.364 1.615 20 0 BDADRP C[NH2+][C@@H](C)Cc1noc([C@@H]2CCCCC[NH2+]2)n1 ZINC000572640634 388363254 /nfs/dbraw/zinc/36/32/54/388363254.db2.gz BSWNYJLKNSQDDV-UWVGGRQHSA-N 2 0 238.335 1.425 20 0 BDADRP Cc1nc(C)c([C@H](C)N[C@@H](C)C[NH3+])s1 ZINC000235146425 388365493 /nfs/dbraw/zinc/36/54/93/388365493.db2.gz XVPLYDGFPCSYHV-BQBZGAKWSA-N 2 0 213.350 1.758 20 0 BDADRP CC[NH+](CC)CCC[NH2+]C[C@@H](OC)C1CC1 ZINC000400282756 388368919 /nfs/dbraw/zinc/36/89/19/388368919.db2.gz RZEHCFKLAMYBGG-CYBMUJFWSA-N 2 0 228.380 1.733 20 0 BDADRP C[C@@H]([NH2+]CC1CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000400668787 388373920 /nfs/dbraw/zinc/37/39/20/388373920.db2.gz UBKUJKHUKNUUCS-PWSUYJOCSA-N 2 0 212.337 1.143 20 0 BDADRP CC(C)(CO)CCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000393374027 388383891 /nfs/dbraw/zinc/38/38/91/388383891.db2.gz IZVMSUUCAJLOKS-OLZOCXBDSA-N 2 0 242.407 1.892 20 0 BDADRP CC(C)[C@@H](C(=O)Nc1cccc(C[NH3+])c1)[NH+](C)C ZINC000646578065 388387862 /nfs/dbraw/zinc/38/78/62/388387862.db2.gz GUIFXTIFFONFJJ-ZDUSSCGKSA-N 2 0 249.358 1.670 20 0 BDADRP C[C@@H]1CCC[C@H]([NH2+]C[C@](C)(O)C[NH+](C)C)CC1 ZINC000300695550 388388486 /nfs/dbraw/zinc/38/84/86/388388486.db2.gz LVJNPCPIVAQEPJ-RDBSUJKOSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@]1(C(=O)Nc2cccc(C[NH3+])c2)CC[NH2+]C1 ZINC000646578896 388388561 /nfs/dbraw/zinc/38/85/61/388388561.db2.gz IVWZWHOJQZVVHS-ZDUSSCGKSA-N 2 0 233.315 1.083 20 0 BDADRP C[NH+]1CCC(C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000646580140 388389881 /nfs/dbraw/zinc/38/98/81/388389881.db2.gz YYNLUCIOFCDQHL-UHFFFAOYSA-N 2 0 247.342 1.426 20 0 BDADRP C[NH2+]C[C@@H](C)CNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000237293714 388392673 /nfs/dbraw/zinc/39/26/73/388392673.db2.gz UCGHNQIYDJVCKQ-DGCLKSJQSA-N 2 0 249.358 1.048 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000394061914 388450095 /nfs/dbraw/zinc/45/00/95/388450095.db2.gz AJIRLVSQAIOGMS-AGIUHOORSA-N 2 0 228.380 1.371 20 0 BDADRP C[NH+](C)C1CCN(C[C@H]2CCCCO2)CC1 ZINC000193806533 388450897 /nfs/dbraw/zinc/45/08/97/388450897.db2.gz CCTLLLDXAMDXLJ-CYBMUJFWSA-N 2 0 226.364 1.582 20 0 BDADRP Cc1nc(C)c(C[NH2+]C[C@H](C)C[NH3+])s1 ZINC000336682808 388462745 /nfs/dbraw/zinc/46/27/45/388462745.db2.gz IQNDGGLDRKWJAG-SSDOTTSWSA-N 2 0 213.350 1.444 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](Cc2cccnc2)C[C@@H]1C[NH3+] ZINC000397358627 388463172 /nfs/dbraw/zinc/46/31/72/388463172.db2.gz FVNFQOYOBFTMDF-DYEKYZERSA-N 2 0 233.359 1.887 20 0 BDADRP Cc1cc(CN2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)no1 ZINC000397434723 388469302 /nfs/dbraw/zinc/46/93/02/388469302.db2.gz BONJWLJRQUYFHD-NHCYSSNCSA-N 2 0 237.347 1.788 20 0 BDADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@@H]1C[C@H]1C ZINC000397549943 388478750 /nfs/dbraw/zinc/47/87/50/388478750.db2.gz RXQHYUINZMFLIL-IJLUTSLNSA-N 2 0 226.364 1.077 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[NH2+]C[C@H]1CCCO1 ZINC000040410267 388414781 /nfs/dbraw/zinc/41/47/81/388414781.db2.gz OHHNRONDYRMNFD-GHMZBOCLSA-N 2 0 200.326 1.128 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)C1CCC1 ZINC000316687321 388420725 /nfs/dbraw/zinc/42/07/25/388420725.db2.gz ZTKDAIREZQLNGW-XQQFMLRXSA-N 2 0 226.364 1.255 20 0 BDADRP COC[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])C1CC1 ZINC000397232628 388421455 /nfs/dbraw/zinc/42/14/55/388421455.db2.gz GZPRVMWJPJPFMA-AGIUHOORSA-N 2 0 226.364 1.519 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000573197712 388430623 /nfs/dbraw/zinc/43/06/23/388430623.db2.gz WKULTDFOTIRTST-MOKVOYLWSA-N 3 0 239.407 1.435 20 0 BDADRP CC[N@H+](CCNC(=O)CC[NH2+]C(C)C)C(C)C ZINC000167201146 388439210 /nfs/dbraw/zinc/43/92/10/388439210.db2.gz HBHWYWNXBZJPTM-UHFFFAOYSA-N 2 0 243.395 1.221 20 0 BDADRP C[C@H](Cc1cnn(C)c1)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000517177115 388541169 /nfs/dbraw/zinc/54/11/69/388541169.db2.gz WDDIIHURZIEMNI-RTXFEEFZSA-N 2 0 236.363 1.211 20 0 BDADRP C[C@H]([NH3+])c1ccc(CNC(=O)[C@H](C)[NH+](C)C)cc1 ZINC000649273780 388485100 /nfs/dbraw/zinc/48/51/00/388485100.db2.gz FMEPMGRJIHRIEA-QWRGUYRKSA-N 2 0 249.358 1.273 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC000340490151 388491854 /nfs/dbraw/zinc/49/18/54/388491854.db2.gz LTZNQJHHCMTYQG-WCFLWFBJSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@@H](CCO)CC[NH2+][C@@H](C)CCCC[NH3+] ZINC000397722127 388494806 /nfs/dbraw/zinc/49/48/06/388494806.db2.gz KRAQKKGYKYNKFM-NEPJUHHUSA-N 2 0 216.369 1.502 20 0 BDADRP CN(CCC[NH3+])C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000646782054 388502167 /nfs/dbraw/zinc/50/21/67/388502167.db2.gz BWEQYVBPHOBGEJ-LBPRGKRZSA-N 2 0 241.379 1.058 20 0 BDADRP COC[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000398026579 388514780 /nfs/dbraw/zinc/51/47/80/388514780.db2.gz JXRWJUQDGMDCGW-JQWIXIFHSA-N 2 0 212.337 1.001 20 0 BDADRP CN(C)C1(C[NH2+][C@@H]2CCOC2(C)C)CC1 ZINC000397993870 388514819 /nfs/dbraw/zinc/51/48/19/388514819.db2.gz YLLTUQUEAPYHNK-SNVBAGLBSA-N 2 0 212.337 1.238 20 0 BDADRP CCC[NH+]1CCC(C[NH2+][C@H](C)[C@H](C)O)CC1 ZINC000517125690 388535210 /nfs/dbraw/zinc/53/52/10/388535210.db2.gz AJLWYTZLEXNAKW-NEPJUHHUSA-N 2 0 228.380 1.467 20 0 BDADRP COC[C@H](C)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000245636028 388594865 /nfs/dbraw/zinc/59/48/65/388594865.db2.gz RIHRZFMKVFOOIS-OLZOCXBDSA-N 2 0 228.380 1.543 20 0 BDADRP COC[C@@H](C)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000245636029 388594930 /nfs/dbraw/zinc/59/49/30/388594930.db2.gz RIHRZFMKVFOOIS-STQMWFEESA-N 2 0 228.380 1.543 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000379221212 388600095 /nfs/dbraw/zinc/60/00/95/388600095.db2.gz PVBSCTATORFXQW-TZMCWYRMSA-N 2 0 234.343 1.655 20 0 BDADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C1CC(C)C1 ZINC000186594720 388601094 /nfs/dbraw/zinc/60/10/94/388601094.db2.gz BHKPMFRPQHEZJT-MOKVOYLWSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@H]1CCCCO1 ZINC000379260515 388602270 /nfs/dbraw/zinc/60/22/70/388602270.db2.gz MDKVIIBVXLVNFJ-TZMCWYRMSA-N 2 0 240.391 1.875 20 0 BDADRP CN(CC[N@H+](C)C1CC1)CC[NH+]1CCCCC1 ZINC000186781320 388603876 /nfs/dbraw/zinc/60/38/76/388603876.db2.gz WTHXKXBAWYFENY-UHFFFAOYSA-N 2 0 239.407 1.498 20 0 BDADRP CCc1noc(C)c1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000517587723 388556047 /nfs/dbraw/zinc/55/60/47/388556047.db2.gz GIDSHNGVDUHICJ-QWRGUYRKSA-N 2 0 237.347 1.905 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])C(C)C ZINC000362977209 388562700 /nfs/dbraw/zinc/56/27/00/388562700.db2.gz PLKXQJCIYVGDEK-FRRDWIJNSA-N 2 0 228.380 1.765 20 0 BDADRP CC[NH+](CC)CCN[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000247975817 388671575 /nfs/dbraw/zinc/67/15/75/388671575.db2.gz KUMZSUXRKHXCQF-KBPBESRZSA-N 2 0 241.423 1.648 20 0 BDADRP CO[C@H](C)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000248455870 388681368 /nfs/dbraw/zinc/68/13/68/388681368.db2.gz ZXSAYAPZPNXNSJ-NEPJUHHUSA-N 2 0 214.353 1.295 20 0 BDADRP COCCC1CC[NH+]([C@@H]2CCC[NH2+]CC2)CC1 ZINC000530206609 388626662 /nfs/dbraw/zinc/62/66/62/388626662.db2.gz AVEGMUUKPQLZGD-CQSZACIVSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CCCOC1)[C@H]1CCC[NH2+]1 ZINC000530214245 388629072 /nfs/dbraw/zinc/62/90/72/388629072.db2.gz VZTFQYPCAKDARV-FRRDWIJNSA-N 2 0 226.364 1.533 20 0 BDADRP COCCC1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000530220623 388632924 /nfs/dbraw/zinc/63/29/24/388632924.db2.gz BFUPUPFKQBXJSB-CQSZACIVSA-N 2 0 240.391 1.735 20 0 BDADRP Cc1n[nH]cc1[C@@H](C)N[C@H]1CC[NH2+]C12CCC2 ZINC000530221424 388633075 /nfs/dbraw/zinc/63/30/75/388633075.db2.gz PZXOKMYIRMASIO-SKDRFNHKSA-N 2 0 234.347 1.653 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@@H]1CCOC1 ZINC000530224242 388633809 /nfs/dbraw/zinc/63/38/09/388633809.db2.gz VRERNHRQMRZOTQ-FRRDWIJNSA-N 2 0 238.375 1.676 20 0 BDADRP C(O[C@H]1CC[NH2+]C1)C1CC[NH+](CC2CC2)CC1 ZINC000530242399 388637825 /nfs/dbraw/zinc/63/78/25/388637825.db2.gz UHRGTZSSPSXQHL-AWEZNQCLSA-N 2 0 238.375 1.487 20 0 BDADRP CC(C)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530237585 388638066 /nfs/dbraw/zinc/63/80/66/388638066.db2.gz FQIIHNCBSVMQRV-CYBMUJFWSA-N 2 0 226.364 1.485 20 0 BDADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCCF)CC1 ZINC000521875951 388638500 /nfs/dbraw/zinc/63/85/00/388638500.db2.gz FJIAKUMYHFLPIT-NEPJUHHUSA-N 2 0 230.327 1.174 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCOCC2)C1 ZINC000083425582 388640495 /nfs/dbraw/zinc/64/04/95/388640495.db2.gz FMGMMHGYZCMLLA-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](C)COC)[C@H](C)C1 ZINC000124331096 388661819 /nfs/dbraw/zinc/66/18/19/388661819.db2.gz HYKGFRFUDOMDNN-MCIONIFRSA-N 2 0 242.407 1.931 20 0 BDADRP COC[C@H](C)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000552357680 388696404 /nfs/dbraw/zinc/69/64/04/388696404.db2.gz MKVLRXMCBJDUAE-KGLIPLIRSA-N 2 0 240.391 1.687 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H](O)C2)CC[N@@H+]1C ZINC000249114675 388709776 /nfs/dbraw/zinc/70/97/76/388709776.db2.gz RSXDMRQQRDXCFL-YVECIDJPSA-N 2 0 226.364 1.220 20 0 BDADRP CC[C@](C)(O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000249434908 388722042 /nfs/dbraw/zinc/72/20/42/388722042.db2.gz ZZOAPIMSXOIOIT-STQMWFEESA-N 2 0 228.380 1.421 20 0 BDADRP COC[C@H](C)C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000253126114 388804696 /nfs/dbraw/zinc/80/46/96/388804696.db2.gz RCDDHLHRFCIKDH-GRYCIOLGSA-N 2 0 214.353 1.328 20 0 BDADRP CCOC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000230062698 388811743 /nfs/dbraw/zinc/81/17/43/388811743.db2.gz UXCBOZMQNSOWME-QWHCGFSZSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@@H]1CCC[NH+](C)C1 ZINC000252709489 388773510 /nfs/dbraw/zinc/77/35/10/388773510.db2.gz CZRYIQJPTUKPFP-HZSPNIEDSA-N 3 0 239.407 1.258 20 0 BDADRP [NH3+][C@H]1CCC[C@H](NCC[NH+]2CCCCCC2)C1 ZINC000093215394 388829679 /nfs/dbraw/zinc/82/96/79/388829679.db2.gz XDJQVXFXPYHIKP-KBPBESRZSA-N 3 0 239.407 1.722 20 0 BDADRP COCCOCCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129841057 388872255 /nfs/dbraw/zinc/87/22/55/388872255.db2.gz NLZAAYBVEINAEZ-CHWSQXEVSA-N 2 0 244.379 1.112 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCOC2)C1 ZINC000069606459 388851343 /nfs/dbraw/zinc/85/13/43/388851343.db2.gz CLYMYOINCGVENM-NWDGAFQWSA-N 2 0 212.337 1.097 20 0 BDADRP CC1(C)C[N@H+](CCC[NH+]2CCCCC2)C[C@@H]1O ZINC000564527344 388877380 /nfs/dbraw/zinc/87/73/80/388877380.db2.gz HFTYLDCIYYCXQI-ZDUSSCGKSA-N 2 0 240.391 1.565 20 0 BDADRP C[C@H]1C[C@@H](C[N@@H+]2CC[C@H](OC(F)F)C2)CC[NH2+]1 ZINC000565351344 388938923 /nfs/dbraw/zinc/93/89/23/388938923.db2.gz JYRXRUPYRDAEKG-DCAQKATOSA-N 2 0 248.317 1.688 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC1(c2ccccn2)CCC1 ZINC000565533984 388951698 /nfs/dbraw/zinc/95/16/98/388951698.db2.gz XXLIQOHOBWPKLS-CHWSQXEVSA-N 2 0 245.370 1.973 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccccc1CO ZINC000565945114 388981217 /nfs/dbraw/zinc/98/12/17/388981217.db2.gz RZXAZAQNKIVZNA-SWLSCSKDSA-N 2 0 248.370 1.657 20 0 BDADRP CC[NH2+]CCC[NH2+][C@@H](C)C1CCOCC1 ZINC000566088392 388984514 /nfs/dbraw/zinc/98/45/14/388984514.db2.gz KSSMMSBVMKSEJF-NSHDSACASA-N 2 0 214.353 1.391 20 0 BDADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccco1 ZINC000268953779 389005319 /nfs/dbraw/zinc/00/53/19/389005319.db2.gz CVKLPJJDELJCHQ-LLVKDONJSA-N 2 0 238.331 1.387 20 0 BDADRP Cc1c([C@H](C)[NH2+][C@@H](C)CCCC[NH3+])cnn1C ZINC000336668217 177633814 /nfs/dbraw/zinc/63/38/14/177633814.db2.gz AFJXOYIJEBNUET-QWRGUYRKSA-N 2 0 238.379 1.897 20 0 BDADRP C[N@H+]1CC=C(C[NH2+]Cc2ccco2)CC1 ZINC000271795707 389027091 /nfs/dbraw/zinc/02/70/91/389027091.db2.gz HXBAXOCAWOHPPU-UHFFFAOYSA-N 2 0 206.289 1.631 20 0 BDADRP C[C@@H](CC[NH+](C)C)N[C@@H](C)c1cn[nH]c1 ZINC000274423381 389047036 /nfs/dbraw/zinc/04/70/36/389047036.db2.gz LWRMCQVZTNEZSZ-UWVGGRQHSA-N 2 0 210.325 1.401 20 0 BDADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1cn[nH]c1 ZINC000275154025 389053905 /nfs/dbraw/zinc/05/39/05/389053905.db2.gz HHDJRORVKSHPKP-JTQLQIEISA-N 2 0 210.325 1.402 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@@](C)(O)CSC)CC1 ZINC000167983228 535474197 /nfs/dbraw/zinc/47/41/97/535474197.db2.gz OWLZGFSOFMGIMV-GFCCVEGCSA-N 2 0 246.420 1.174 20 0 BDADRP C[C@@H](NCCC[NH+]1CCCC1)[C@H]1CCC[NH2+]1 ZINC000400765603 533381130 /nfs/dbraw/zinc/38/11/30/533381130.db2.gz ZEFQJSBWFFPNDG-CHWSQXEVSA-N 2 0 225.380 1.202 20 0 BDADRP C1=C(C[NH2+][C@H]2CCC23CCC3)CC[NH2+]C1 ZINC000335502045 533480530 /nfs/dbraw/zinc/48/05/30/533480530.db2.gz UHVSEVWFZGCOKW-LBPRGKRZSA-N 2 0 206.333 1.828 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)[C@H]1CCCOC1)[C@H]1CCC[NH2+]1 ZINC000400342885 533501740 /nfs/dbraw/zinc/50/17/40/533501740.db2.gz IAFVKNMKBIPRLI-QNWHQSFQSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CCO)CC2)[C@@H]1C ZINC000495065277 533644683 /nfs/dbraw/zinc/64/46/83/533644683.db2.gz JSHUSTFUWOUIPA-YRGRVCCFSA-N 2 0 240.391 1.325 20 0 BDADRP C[C@H](CF)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297491389 132221662 /nfs/dbraw/zinc/22/16/62/132221662.db2.gz TZBOATLMRCMOKK-LLVKDONJSA-N 2 0 237.322 1.998 20 0 BDADRP CC(C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000051399548 132360730 /nfs/dbraw/zinc/36/07/30/132360730.db2.gz QPUKTTZPWSOTSN-UHFFFAOYSA-N 2 0 248.374 1.331 20 0 BDADRP CC[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H](C[NH3+])C2)CCO1 ZINC000347125388 133805096 /nfs/dbraw/zinc/80/50/96/133805096.db2.gz YFPDQGAISILSDJ-MELADBBJSA-N 2 0 240.391 1.862 20 0 BDADRP C[C@H](CC[NH3+])NC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000349989917 133929599 /nfs/dbraw/zinc/92/95/99/133929599.db2.gz OGJZMSBIAJINKT-IJLUTSLNSA-N 2 0 241.379 1.138 20 0 BDADRP Cc1n[nH]cc1CN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000335945967 134020173 /nfs/dbraw/zinc/02/01/73/134020173.db2.gz ANZBMQXDGZCGOT-CQSZACIVSA-N 2 0 248.374 1.636 20 0 BDADRP Cc1n[nH]cc1CN1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000335970968 134029623 /nfs/dbraw/zinc/02/96/23/134029623.db2.gz JORNIBVPOPWOOP-AAEUAGOBSA-N 2 0 234.347 1.244 20 0 BDADRP Cc1nccn1CC[N@H+]1C[C@H](C)N(C)C[C@@H]1C ZINC000335975320 134030847 /nfs/dbraw/zinc/03/08/47/134030847.db2.gz JIYYCBNKGAOLLE-RYUDHWBXSA-N 2 0 236.363 1.216 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+](CC[C@H]3CCOC3)C2)C1 ZINC000336113246 134087036 /nfs/dbraw/zinc/08/70/36/134087036.db2.gz RQPLJCMOAGIEQV-KBPBESRZSA-N 2 0 238.375 1.441 20 0 BDADRP CC[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](C)O ZINC000352210150 134107679 /nfs/dbraw/zinc/10/76/79/134107679.db2.gz FPNDAGPFIBDMBS-CHWSQXEVSA-N 2 0 228.380 1.564 20 0 BDADRP C[C@H](C[NH2+]C1CCC([NH3+])CC1)N(C)C1CC1 ZINC000217625399 134249558 /nfs/dbraw/zinc/24/95/58/134249558.db2.gz TZSQERLYJSIQCE-VOMCLLRMSA-N 2 0 225.380 1.329 20 0 BDADRP C[C@H]([NH2+]CCOCC[NH+](C)C)C1(C)CC1 ZINC000219312614 134281214 /nfs/dbraw/zinc/28/12/14/134281214.db2.gz ZQGZRPKOJGXMOL-NSHDSACASA-N 2 0 214.353 1.343 20 0 BDADRP Cc1ccc(F)cc1C[NH2+][C@H](C)CC[NH3+] ZINC000220518721 134309902 /nfs/dbraw/zinc/30/99/02/134309902.db2.gz YVUMIZVXXJVPGK-SNVBAGLBSA-N 2 0 210.296 1.961 20 0 BDADRP CC[C@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000178965333 134313648 /nfs/dbraw/zinc/31/36/48/134313648.db2.gz NDCNSUWVEIGFDW-AAEUAGOBSA-N 2 0 226.364 1.485 20 0 BDADRP C1C[C@H]2C[C@H]([NH2+][C@@H]3C[C@H]4CC[C@@H]3O4)CC[N@@H+]2C1 ZINC000178958857 134313812 /nfs/dbraw/zinc/31/38/12/134313812.db2.gz BFROUUUEOMLWIE-ITGHMWBKSA-N 2 0 236.359 1.523 20 0 BDADRP C[N@H+](CC1CC[NH2+]CC1)C[C@H]1CCC[NH+](C)C1 ZINC000178978989 134314039 /nfs/dbraw/zinc/31/40/39/134314039.db2.gz YFNWNZFSYKCREE-AWEZNQCLSA-N 3 0 239.407 1.260 20 0 BDADRP Cc1nccn1CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000223006646 134336211 /nfs/dbraw/zinc/33/62/11/134336211.db2.gz RBNTUYMZLJMOLR-WCQYABFASA-N 2 0 236.363 1.264 20 0 BDADRP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000224011008 134344131 /nfs/dbraw/zinc/34/41/31/134344131.db2.gz KVTXGKIZSLWRPY-ZDEQEGDKSA-N 2 0 228.380 1.323 20 0 BDADRP C[C@H](CC(=O)OC(C)(C)C)[NH2+]CCC[NH+](C)C ZINC000183664541 134355358 /nfs/dbraw/zinc/35/53/58/134355358.db2.gz AVRXTTKFLNRMBF-LLVKDONJSA-N 2 0 244.379 1.648 20 0 BDADRP C[NH+](C)CCOCC[NH2+]CC1CCCCC1 ZINC000226744324 134370895 /nfs/dbraw/zinc/37/08/95/134370895.db2.gz QQUABGFUQVEXAW-UHFFFAOYSA-N 2 0 228.380 1.735 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCCOCC2)CC1 ZINC000227497745 134381194 /nfs/dbraw/zinc/38/11/94/134381194.db2.gz OTEPWOAWLWGTEB-ZDUSSCGKSA-N 2 0 240.391 1.877 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCSC2)CC1 ZINC000227495978 134381245 /nfs/dbraw/zinc/38/12/45/134381245.db2.gz SOKHBCYNVMIERG-LLVKDONJSA-N 2 0 228.405 1.813 20 0 BDADRP C[C@H](CCCO)[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000227535649 134382859 /nfs/dbraw/zinc/38/28/59/134382859.db2.gz RJLDQXLXWMZGSL-UMSGYPCISA-N 2 0 228.380 1.466 20 0 BDADRP CC[NH+]1CCC(N[C@@H](C)C[NH+](C)C)CC1 ZINC000130195801 134617153 /nfs/dbraw/zinc/61/71/53/134617153.db2.gz CNFTVEHUUTXACF-NSHDSACASA-N 2 0 213.369 1.010 20 0 BDADRP CC[C@@H](C)[NH2+]C[C@H](C)N1CC[NH+](CC)CC1 ZINC000053487600 134741135 /nfs/dbraw/zinc/74/11/35/134741135.db2.gz WXWPXTSNYOTVBL-OLZOCXBDSA-N 2 0 227.396 1.401 20 0 BDADRP C[C@@H]1CC[C@@H](C[N@H+](C)C[C@H]2CCC[NH+](C)C2)O1 ZINC000248914385 135025765 /nfs/dbraw/zinc/02/57/65/135025765.db2.gz OAHFDQYZKPKABD-RDBSUJKOSA-N 2 0 240.391 1.828 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000249088650 135031678 /nfs/dbraw/zinc/03/16/78/135031678.db2.gz JUWYQFPONZWPOL-RQJABVFESA-N 2 0 240.391 1.874 20 0 BDADRP C[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000249384322 135038021 /nfs/dbraw/zinc/03/80/21/135038021.db2.gz BHGUNCJDHYMXCJ-SCRDCRAPSA-N 2 0 238.375 1.316 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CCC(C)C ZINC000234781450 135043339 /nfs/dbraw/zinc/04/33/39/135043339.db2.gz PIWSKPYLEDAMQM-NSHDSACASA-N 2 0 202.342 1.376 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)CC(C)C ZINC000234799602 135043404 /nfs/dbraw/zinc/04/34/04/135043404.db2.gz OIOOCRYUYAEZPI-RYUDHWBXSA-N 2 0 216.369 1.765 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CC1(C(C)C)CC1 ZINC000234779331 135043785 /nfs/dbraw/zinc/04/37/85/135043785.db2.gz SLFWBXGUWCDCHC-LBPRGKRZSA-N 2 0 228.380 1.766 20 0 BDADRP c1cn(CCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000250242977 135050798 /nfs/dbraw/zinc/05/07/98/135050798.db2.gz JSJBWTWGXNISNK-KGLIPLIRSA-N 2 0 248.374 1.490 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCOC2)C1 ZINC000250364204 135052724 /nfs/dbraw/zinc/05/27/24/135052724.db2.gz UMBLDQGRHRINAJ-RYUDHWBXSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251206983 135066578 /nfs/dbraw/zinc/06/65/78/135066578.db2.gz LQJZEYHAOWBMNM-UPJWGTAASA-N 2 0 226.364 1.221 20 0 BDADRP CC(C)C[C@H](CO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251424404 135069815 /nfs/dbraw/zinc/06/98/15/135069815.db2.gz QNPCSHOMKHONFJ-MCIONIFRSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2CCCC[C@@H]2C[NH3+])CC[N@@H+]1C ZINC000252106241 135083658 /nfs/dbraw/zinc/08/36/58/135083658.db2.gz IYZYLKQCYWPRTR-SYQHCUMBSA-N 2 0 239.407 1.576 20 0 BDADRP CC1CCC([N@H+](C)CCOCC[NH3+])CC1 ZINC000086435492 135084447 /nfs/dbraw/zinc/08/44/47/135084447.db2.gz ZIQKSROULKOPDT-UHFFFAOYSA-N 2 0 214.353 1.472 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]CCn1ccnc1 ZINC000086495855 135087472 /nfs/dbraw/zinc/08/74/72/135087472.db2.gz UBKLEUNTRNMGMP-VXGBXAGGSA-N 2 0 222.336 1.003 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000252647146 135093497 /nfs/dbraw/zinc/09/34/97/135093497.db2.gz TWESCIUDKREBGZ-MCIONIFRSA-N 2 0 239.407 1.528 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252703211 135097891 /nfs/dbraw/zinc/09/78/91/135097891.db2.gz KQNWNHQFQMWAFK-LPWJVIDDSA-N 2 0 208.349 1.859 20 0 BDADRP CC(C)OCCC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252708799 135098726 /nfs/dbraw/zinc/09/87/26/135098726.db2.gz BCQBUUXAKQUQPI-CHWSQXEVSA-N 2 0 228.380 1.731 20 0 BDADRP CC[C@H](O)CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000252708497 135098798 /nfs/dbraw/zinc/09/87/98/135098798.db2.gz AFWZLSSTASYXDS-MROQNXINSA-N 2 0 228.380 1.466 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000252709398 135099279 /nfs/dbraw/zinc/09/92/79/135099279.db2.gz CUIOBNKJIFIBLB-SYLRKERUSA-N 2 0 210.365 1.961 20 0 BDADRP CC(C)CCOCC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252716889 135102138 /nfs/dbraw/zinc/10/21/38/135102138.db2.gz ZLPXPYNSUMJCRN-ZIAGYGMSSA-N 2 0 242.407 1.979 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@H]2CC[C@H](O)CC2)CC1 ZINC000252751531 135107365 /nfs/dbraw/zinc/10/73/65/135107365.db2.gz GQXPBKHIRSPYBN-MQMHXKEQSA-N 2 0 240.391 1.752 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000252774180 135108868 /nfs/dbraw/zinc/10/88/68/135108868.db2.gz WJRYQBYSDKZSAA-RXGFPQBGSA-N 2 0 228.380 1.464 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)[C@H]1CCCO1 ZINC000261536798 135109022 /nfs/dbraw/zinc/10/90/22/135109022.db2.gz TUFJUHWCBNOWQW-NOOOWODRSA-N 2 0 212.337 1.142 20 0 BDADRP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)on1 ZINC000252838388 135111673 /nfs/dbraw/zinc/11/16/73/135111673.db2.gz AIHQDCGVYRSLOW-DRZSPHRISA-N 2 0 235.331 1.542 20 0 BDADRP C[C@@]1(C[NH2+]C[C@@H]2CCC[NH2+]C2)CCCO1 ZINC000087255622 135115531 /nfs/dbraw/zinc/11/55/31/135115531.db2.gz CUXPFDNNXSGJPO-NEPJUHHUSA-N 2 0 212.337 1.145 20 0 BDADRP CS[C@H](C)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000252951551 135117977 /nfs/dbraw/zinc/11/79/77/135117977.db2.gz FCCMTBDJNQJSFL-VWYCJHECSA-N 2 0 216.394 1.845 20 0 BDADRP CC[C@H](O)CC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000253011995 135119664 /nfs/dbraw/zinc/11/96/64/135119664.db2.gz CWXDTIMBXKHQQS-SRVKXCTJSA-N 2 0 214.353 1.255 20 0 BDADRP C[N@H+](CCOCC1CC1)C[C@@H]1CCC[NH2+]C1 ZINC000087399716 135128729 /nfs/dbraw/zinc/12/87/29/135128729.db2.gz VPDAHDMVVQVCME-CYBMUJFWSA-N 2 0 226.364 1.344 20 0 BDADRP C[N@@H+](Cc1nccs1)CC1CC[NH2+]CC1 ZINC000087393849 135128929 /nfs/dbraw/zinc/12/89/29/135128929.db2.gz NTPRDIMZLUVUQE-UHFFFAOYSA-N 2 0 225.361 1.575 20 0 BDADRP Cc1ccncc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257660860 135138051 /nfs/dbraw/zinc/13/80/51/135138051.db2.gz GHCZIOFEKGVCAL-UHFFFAOYSA-N 2 0 245.370 1.966 20 0 BDADRP C(C1CCOCC1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257669815 135138619 /nfs/dbraw/zinc/13/86/19/135138619.db2.gz IDKFKXPRAGGGPJ-ZDUSSCGKSA-N 2 0 224.348 1.098 20 0 BDADRP C([C@@H]1CCCOC1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257697561 135140241 /nfs/dbraw/zinc/14/02/41/135140241.db2.gz PFPTWUVQJGJZCR-ZDUSSCGKSA-N 2 0 238.375 1.489 20 0 BDADRP C[NH2+]CCCN(C)Cc1cccc(O)c1 ZINC000087472386 135143151 /nfs/dbraw/zinc/14/31/51/135143151.db2.gz NIJURVUBXHOJEL-UHFFFAOYSA-N 2 0 208.305 1.434 20 0 BDADRP C1CC([NH2+][C@@H]2CC3CCC2CC3)CC[NH2+]1 ZINC000261528493 135153752 /nfs/dbraw/zinc/15/37/52/135153752.db2.gz PKZRKXXSJWYSMY-GCZXYKMCSA-N 2 0 208.349 1.907 20 0 BDADRP C[C@H]1CCN(CC[NH2+]C(C)(C)C)[C@H]1CO ZINC000261529501 135156018 /nfs/dbraw/zinc/15/60/18/135156018.db2.gz AVSUHEXNOJERGN-QWRGUYRKSA-N 2 0 214.353 1.077 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCOCC1CC1 ZINC000261532445 135162871 /nfs/dbraw/zinc/16/28/71/135162871.db2.gz BOEFZLJFFKRPEG-QWHCGFSZSA-N 2 0 226.364 1.520 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCOC[C@H]2C)CC[NH2+]1 ZINC000261533240 135164453 /nfs/dbraw/zinc/16/44/53/135164453.db2.gz KMWGHAQLRWSNJM-IJLUTSLNSA-N 2 0 212.337 1.095 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2C[NH3+])CCO1 ZINC000261533989 135165556 /nfs/dbraw/zinc/16/55/56/135165556.db2.gz MUBYGEHTHXMTSC-XQHKEYJVSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@H]2CCCCO2)CC[C@H]1[NH3+] ZINC000261534101 135166134 /nfs/dbraw/zinc/16/61/34/135166134.db2.gz NBDJCEAGCSTTJY-JHJVBQTASA-N 2 0 226.364 1.615 20 0 BDADRP Cc1[nH+]ccc(N2C[C@@H](C)[C@@H]([NH3+])C2)c1Cl ZINC000261535925 135170293 /nfs/dbraw/zinc/17/02/93/135170293.db2.gz PRNLKRTXDFZRHO-APPZFPTMSA-N 2 0 225.723 1.827 20 0 BDADRP CCC1(C[NH2+][C@H]2CC[NH2+]C2)CCOCC1 ZINC000261536758 135172038 /nfs/dbraw/zinc/17/20/38/135172038.db2.gz SUZGWBIJXNUKBO-NSHDSACASA-N 2 0 212.337 1.145 20 0 BDADRP CS[C@@H]1CCCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000261536760 135172067 /nfs/dbraw/zinc/17/20/67/135172067.db2.gz SUZZBPPFOKKCFO-SNVBAGLBSA-N 2 0 216.394 1.941 20 0 BDADRP CC(C)(C)[NH2+]CC[NH2+][C@@H]1CCCOCC1 ZINC000261537072 135172834 /nfs/dbraw/zinc/17/28/34/135172834.db2.gz UTHHEDFQMYSJET-LLVKDONJSA-N 2 0 214.353 1.533 20 0 BDADRP Cc1[nH+]ccc(N2CC[C@@H](C[NH3+])C2)c1Cl ZINC000261538753 135177022 /nfs/dbraw/zinc/17/70/22/135177022.db2.gz ZEQBMDLBQCFRHX-VIFPVBQESA-N 2 0 225.723 1.828 20 0 BDADRP C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000261539342 135178055 /nfs/dbraw/zinc/17/80/55/135178055.db2.gz CEIHLMAIGROKGF-FRRDWIJNSA-N 2 0 208.349 1.718 20 0 BDADRP COCC(C)(C)C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000261539890 135178400 /nfs/dbraw/zinc/17/84/00/135178400.db2.gz DHHZSGUYUQEVDQ-WDEREUQCSA-N 2 0 214.353 1.328 20 0 BDADRP COc1ccc(C)cc1CN1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261539940 135178936 /nfs/dbraw/zinc/17/89/36/135178936.db2.gz COROKDAJIFDSLU-DGCLKSJQSA-N 2 0 234.343 1.783 20 0 BDADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])C1CCOCC1 ZINC000261543242 135184152 /nfs/dbraw/zinc/18/41/52/135184152.db2.gz RZDRSMSCOIAQDU-UBHSHLNASA-N 2 0 240.391 1.909 20 0 BDADRP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)nc1 ZINC000261544298 135185573 /nfs/dbraw/zinc/18/55/73/135185573.db2.gz DQJQKBUVSNTOIJ-IACUBPJLSA-N 2 0 231.343 1.559 20 0 BDADRP CCC[NH+]1CCC(N[C@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000261549284 135188470 /nfs/dbraw/zinc/18/84/70/135188470.db2.gz KIBDMJHXHMZNAV-OCCSQVGLSA-N 2 0 239.407 1.448 20 0 BDADRP COC[C@]1(CNc2cc[nH+]cc2C)CCC[NH2+]1 ZINC000261549898 135189151 /nfs/dbraw/zinc/18/91/51/135189151.db2.gz KYBMEYXQYNVLJJ-CYBMUJFWSA-N 2 0 235.331 1.571 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cccnc1 ZINC000084193920 135190988 /nfs/dbraw/zinc/19/09/88/135190988.db2.gz SUSLHZBVOQSJOM-NWDGAFQWSA-N 2 0 205.305 1.299 20 0 BDADRP C[C@@H]1CSCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261553208 135192766 /nfs/dbraw/zinc/19/27/66/135192766.db2.gz SIUKBTOPRKZUDD-RYUDHWBXSA-N 2 0 228.405 1.671 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]12 ZINC000261561489 135202925 /nfs/dbraw/zinc/20/29/25/135202925.db2.gz APOBXWBPDQGEBP-KGYLQXTDSA-N 2 0 217.316 1.251 20 0 BDADRP C(C[N@@H+]1CCC2(C1)CCOCC2)[C@H]1CC[NH2+]C1 ZINC000261567057 135209142 /nfs/dbraw/zinc/20/91/42/135209142.db2.gz ZLYDQPRQHGXWJG-CYBMUJFWSA-N 2 0 238.375 1.489 20 0 BDADRP CCc1nc(CN2CC[C@@](C)(C[NH3+])C2)cs1 ZINC000261569141 135211624 /nfs/dbraw/zinc/21/16/24/135211624.db2.gz GESJGHSYZSVBFR-LBPRGKRZSA-N 2 0 239.388 1.876 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@H]12 ZINC000261570962 135212748 /nfs/dbraw/zinc/21/27/48/135212748.db2.gz HFGJOFGGQVYRRN-QNWHQSFQSA-N 2 0 224.348 1.082 20 0 BDADRP C[C@H](O)C[C@@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261570979 135212940 /nfs/dbraw/zinc/21/29/40/135212940.db2.gz HGIIEYRPNYLEAJ-AAEUAGOBSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@H]1[C@@H]([NH3+])CCN1CCc1ccccc1 ZINC000084368485 135213830 /nfs/dbraw/zinc/21/38/30/135213830.db2.gz XMDBXQHUFMLBTL-AAEUAGOBSA-N 2 0 204.317 1.651 20 0 BDADRP Cc1ccc(O)c(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)n1 ZINC000261576537 135217448 /nfs/dbraw/zinc/21/74/48/135217448.db2.gz NSFGAICTQJHRCZ-VXGBXAGGSA-N 2 0 247.342 1.279 20 0 BDADRP COc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000261575986 135217591 /nfs/dbraw/zinc/21/75/91/135217591.db2.gz NMHLMKPMEAHNDD-NWANDNLSSA-N 2 0 246.354 1.864 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000261576865 135218453 /nfs/dbraw/zinc/21/84/53/135218453.db2.gz KQCAVZUWPJXJKO-AVGNSLFASA-N 2 0 228.380 1.645 20 0 BDADRP Cc1c[nH+]ccc1N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261578643 135219706 /nfs/dbraw/zinc/21/97/06/135219706.db2.gz LWRFDOADPFZJJK-NWDGAFQWSA-N 2 0 217.316 1.436 20 0 BDADRP COCc1cccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)c1 ZINC000261589238 135230224 /nfs/dbraw/zinc/23/02/24/135230224.db2.gz WDVOPRBXYWBQKU-DOMZBBRYSA-N 2 0 248.370 1.921 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCC1CCOCC1 ZINC000261592024 135232762 /nfs/dbraw/zinc/23/27/62/135232762.db2.gz VRJOJFSEFVCFKC-OLZOCXBDSA-N 2 0 226.364 1.520 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@H](CO)C1 ZINC000261592384 135232889 /nfs/dbraw/zinc/23/28/89/135232889.db2.gz VUEVQLUBOVSQCW-CYDGBPFRSA-N 2 0 226.364 1.255 20 0 BDADRP [NH3+]C[C@H]1CCC[N@H+](CCOCC2CC2)C1 ZINC000261596812 135235962 /nfs/dbraw/zinc/23/59/62/135235962.db2.gz YXAAPUBXMKZEAF-GFCCVEGCSA-N 2 0 212.337 1.084 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000261547192 135240529 /nfs/dbraw/zinc/24/05/29/135240529.db2.gz LZYIVMFMSZCCCV-JHJVBQTASA-N 2 0 208.349 1.860 20 0 BDADRP CCn1nc(C)c(CN2C[C@@H](C)[C@@H]([NH3+])C2)c1C ZINC000261679657 135244931 /nfs/dbraw/zinc/24/49/31/135244931.db2.gz AGTNCMJOVKRDFV-RNCFNFMXSA-N 2 0 236.363 1.299 20 0 BDADRP CCc1ccc([C@@H]2C[NH2+]CCN2C[C@@H](C)[NH3+])cc1 ZINC000261689182 135246308 /nfs/dbraw/zinc/24/63/08/135246308.db2.gz IXSCBVLSUWFLKL-DOMZBBRYSA-N 2 0 247.386 1.543 20 0 BDADRP C[C@@H](CNC1=[NH+]CCCN1)[NH+]1CCC(C)CC1 ZINC000261705548 135246777 /nfs/dbraw/zinc/24/67/77/135246777.db2.gz CYSBCRRCPLZHNJ-LBPRGKRZSA-N 2 0 238.379 1.046 20 0 BDADRP C[C@@]1(CN2CCO[C@H]3CCC[C@H]32)CC[NH2+]C1 ZINC000261734787 135249121 /nfs/dbraw/zinc/24/91/21/135249121.db2.gz HRIFCYHFENSZLC-FRRDWIJNSA-N 2 0 224.348 1.239 20 0 BDADRP COCC(C)(C)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000261782191 135252745 /nfs/dbraw/zinc/25/27/45/135252745.db2.gz FNBZGENQCBBIKH-RYUDHWBXSA-N 2 0 228.380 1.718 20 0 BDADRP C[C@H](c1cnccn1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000342233935 135254431 /nfs/dbraw/zinc/25/44/31/135254431.db2.gz PLAILCIKUQCEQL-GFCCVEGCSA-N 2 0 248.374 1.811 20 0 BDADRP C[NH2+]CCC1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000261825109 135256360 /nfs/dbraw/zinc/25/63/60/135256360.db2.gz IOWLQAZNTNWJLK-CQSZACIVSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@@]1(C[N@@H+]2CC[C@@]3(CCOC3)C2)CC[NH2+]C1 ZINC000261882888 135260026 /nfs/dbraw/zinc/26/00/26/135260026.db2.gz RINBNJCQOCZPQN-CHWSQXEVSA-N 2 0 224.348 1.098 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC[C@H]3CCOC3)C[C@H]21 ZINC000261963897 135267393 /nfs/dbraw/zinc/26/73/93/135267393.db2.gz POUUNOZTGIHLSF-REWJHTLYSA-N 2 0 238.375 1.472 20 0 BDADRP C[NH+](C)[C@@H]1CCCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262000752 135271236 /nfs/dbraw/zinc/27/12/36/135271236.db2.gz LFUXUFSIMCAMKL-KGLIPLIRSA-N 2 0 239.407 1.402 20 0 BDADRP C[NH2+]CCC1CC[NH+](CCOCC2CC2)CC1 ZINC000262026092 135274258 /nfs/dbraw/zinc/27/42/58/135274258.db2.gz ZNEQITYTOSELKM-UHFFFAOYSA-N 2 0 240.391 1.735 20 0 BDADRP CCOC[C@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262044559 135275705 /nfs/dbraw/zinc/27/57/05/135275705.db2.gz PNRVUJZZESORPO-QWHCGFSZSA-N 2 0 226.364 1.344 20 0 BDADRP C[C@]1(C[NH+]2CCC(c3cn[nH]c3)CC2)CC[NH2+]C1 ZINC000262086729 135277651 /nfs/dbraw/zinc/27/76/51/135277651.db2.gz ULFGZSBHIARZIC-AWEZNQCLSA-N 2 0 248.374 1.589 20 0 BDADRP Cc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)nc1 ZINC000262086550 135277717 /nfs/dbraw/zinc/27/77/17/135277717.db2.gz UIRLAJNMXHQSQE-UHFFFAOYSA-N 2 0 245.370 1.966 20 0 BDADRP C[N@H+](C[C@@H]1CCCC[C@H]1O)C[C@@]1(C)CC[NH2+]C1 ZINC000262106161 135279317 /nfs/dbraw/zinc/27/93/17/135279317.db2.gz VYTCJJWKTKUKGA-MJBXVCDLSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@@H](N)[C@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000262131352 135280364 /nfs/dbraw/zinc/28/03/64/135280364.db2.gz OBNRSZCGWRDNAI-DGCLKSJQSA-N 2 0 225.380 1.188 20 0 BDADRP CCOC[C@H]1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262144624 135281212 /nfs/dbraw/zinc/28/12/12/135281212.db2.gz ZKTXBLNUGNXVJE-UONOGXRCSA-N 2 0 240.391 1.735 20 0 BDADRP C[N@H+](CCOCC(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262173245 135283959 /nfs/dbraw/zinc/28/39/59/135283959.db2.gz VPBXSVVLBZXTOA-ZACCUICWSA-N 2 0 248.317 1.483 20 0 BDADRP c1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)CO2 ZINC000262248918 135288461 /nfs/dbraw/zinc/28/84/61/135288461.db2.gz PUBYGRIWPUZARK-OCCSQVGLSA-N 2 0 246.354 1.579 20 0 BDADRP CCC1CC([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)C1 ZINC000342694298 135306601 /nfs/dbraw/zinc/30/66/01/135306601.db2.gz DJMRXOPWXINYRJ-IYXRBSQSSA-N 2 0 239.407 1.401 20 0 BDADRP CN(CC(C)(C)C[NH3+])C(=O)CCCCCC[NH3+] ZINC000262597145 135308089 /nfs/dbraw/zinc/30/80/89/135308089.db2.gz ZAADRCZJTFKFDO-UHFFFAOYSA-N 2 0 243.395 1.339 20 0 BDADRP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000263258722 135342462 /nfs/dbraw/zinc/34/24/62/135342462.db2.gz QQWMPPBTGVMFSI-AAVRWANBSA-N 2 0 238.375 1.125 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccn(C)c2)[C@@H](C)C1 ZINC000268884993 135364027 /nfs/dbraw/zinc/36/40/27/135364027.db2.gz BXEPHPINPPFYJL-JSGCOSHPSA-N 2 0 235.375 1.845 20 0 BDADRP C[C@H]1CC[C@H]([NH2+]CCCN2CC[NH+](C)CC2)C1 ZINC000080427715 135374260 /nfs/dbraw/zinc/37/42/60/135374260.db2.gz VVMJPHKBRUHIDD-KBPBESRZSA-N 2 0 239.407 1.402 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1NCC[NH+]1CCCCC1 ZINC000084220869 135468208 /nfs/dbraw/zinc/46/82/08/135468208.db2.gz ZOOOPSILCRNBDZ-QWHCGFSZSA-N 2 0 225.380 1.189 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000348257871 135485255 /nfs/dbraw/zinc/48/52/55/135485255.db2.gz TZCBCYMSDIAWRP-IHRRRGAJSA-N 2 0 240.391 1.467 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000089145846 135530225 /nfs/dbraw/zinc/53/02/25/135530225.db2.gz RZKYPVJEDZUUPK-ZIAGYGMSSA-N 3 0 239.407 1.435 20 0 BDADRP CCCN(CC[NH+](CC)CC)CC(C)(C)[NH3+] ZINC000346963070 135984271 /nfs/dbraw/zinc/98/42/71/135984271.db2.gz APOWINBRQILZQF-UHFFFAOYSA-N 2 0 229.412 1.778 20 0 BDADRP Oc1cccnc1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000347882894 136015028 /nfs/dbraw/zinc/01/50/28/136015028.db2.gz VIXKYRVEYUCOIZ-NEPJUHHUSA-N 2 0 247.342 1.504 20 0 BDADRP Nc1cccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000335315036 136024316 /nfs/dbraw/zinc/02/43/16/136024316.db2.gz QLHSTUMXOAXVNJ-UHFFFAOYSA-N 2 0 245.370 1.844 20 0 BDADRP Cc1ccncc1CCC[NH2+]CCN1CCC1 ZINC000348074726 136034207 /nfs/dbraw/zinc/03/42/07/136034207.db2.gz IABRJCORTDWFKS-UHFFFAOYSA-N 2 0 233.359 1.618 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCC[C@H]1CCO ZINC000348157205 136040607 /nfs/dbraw/zinc/04/06/07/136040607.db2.gz FHDZAQISDWSKHF-UONOGXRCSA-N 2 0 242.407 1.859 20 0 BDADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NCCC[NH+](C)C ZINC000348343332 136071572 /nfs/dbraw/zinc/07/15/72/136071572.db2.gz UHQFQUFYHXJLOL-GFCCVEGCSA-N 2 0 243.395 1.221 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@@H]2CCCSC2)CC1 ZINC000335566396 136108079 /nfs/dbraw/zinc/10/80/79/136108079.db2.gz UBOBBPUVYGCTKV-HTAVTVPLSA-N 2 0 228.405 1.989 20 0 BDADRP CO[C@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000226436349 397966528 /nfs/dbraw/zinc/96/65/28/397966528.db2.gz SBMKYFRDUKQKNM-NEPJUHHUSA-N 2 0 212.337 1.097 20 0 BDADRP [NH3+][C@@H]1C[C@@H](NC[C@@H]2C[C@H](F)C[NH2+]2)c2ccccc21 ZINC000643538210 397920011 /nfs/dbraw/zinc/92/00/11/397920011.db2.gz BOMSYCBCOSAPIN-DUBDDPSESA-N 2 0 249.333 1.421 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)CN1C[C@H]1CCC[NH+]1C ZINC000649572918 397964498 /nfs/dbraw/zinc/96/44/98/397964498.db2.gz NGTRDOBUJWEZMB-JHJVBQTASA-N 2 0 225.380 1.105 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1Cc1nc(C2([NH3+])CCC2)no1 ZINC000650227969 397998052 /nfs/dbraw/zinc/99/80/52/397998052.db2.gz PUYWIXMRRNRTLA-DTWKUNHWSA-N 2 0 236.319 1.077 20 0 BDADRP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000303300842 398012771 /nfs/dbraw/zinc/01/27/71/398012771.db2.gz PWFUTHCACVEBLR-GFCCVEGCSA-N 2 0 228.380 1.419 20 0 BDADRP Cn1ccnc1[C@H]1CCC[N@H+](Cc2ccno2)C1 ZINC000373115394 398013938 /nfs/dbraw/zinc/01/39/38/398013938.db2.gz KAKUSJRDVHOFPV-NSHDSACASA-N 2 0 246.314 1.788 20 0 BDADRP C[C@@H]1C[C@@H](CN2CCC[C@H]3C[NH2+]C[C@H]32)CC[NH2+]1 ZINC000414781804 398037558 /nfs/dbraw/zinc/03/75/58/398037558.db2.gz DDCLLQBOIBXZNG-ZOBORPQBSA-N 2 0 237.391 1.058 20 0 BDADRP CC(C)[C@@H]([NH3+])C[NH2+]C1Cc2ccccc2C1 ZINC000414792114 398038937 /nfs/dbraw/zinc/03/89/37/398038937.db2.gz IQBRHZICJCMWFH-AWEZNQCLSA-N 2 0 218.344 1.727 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc2c(c1)COC2 ZINC000414792304 398039587 /nfs/dbraw/zinc/03/95/87/398039587.db2.gz CCCVVFGBYFONNQ-SWLSCSKDSA-N 2 0 246.354 1.934 20 0 BDADRP Cl/C=C/CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000307078991 397977226 /nfs/dbraw/zinc/97/72/26/397977226.db2.gz HHWQEABOZVCTDN-DTWDLQQISA-N 2 0 200.713 1.424 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000054240513 398101297 /nfs/dbraw/zinc/10/12/97/398101297.db2.gz VJVBERHVIUGXPA-AAEUAGOBSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H](CC[NH+](C)C)N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400515816 398119029 /nfs/dbraw/zinc/11/90/29/398119029.db2.gz MYVDPHLNIOTCHM-WOPDTQHZSA-N 2 0 213.369 1.057 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(=O)[nH]c1 ZINC000309390178 398120050 /nfs/dbraw/zinc/12/00/50/398120050.db2.gz HNKCUDXDOVNVRA-JTQLQIEISA-N 2 0 223.320 1.217 20 0 BDADRP C[C@@H](c1ccc(Cl)cc1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000062013617 398110341 /nfs/dbraw/zinc/11/03/41/398110341.db2.gz AUGOLHCDEJQADW-JOYOIKCWSA-N 2 0 242.750 1.652 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CC1(CCO)CC1 ZINC000643483006 398125405 /nfs/dbraw/zinc/12/54/05/398125405.db2.gz YZHRJRQFXHZTMC-RYUDHWBXSA-N 2 0 226.364 1.399 20 0 BDADRP CC[NH+](CC)CCC[NH2+]C[C@H](OC)C1CC1 ZINC000400282759 398122579 /nfs/dbraw/zinc/12/25/79/398122579.db2.gz RZEHCFKLAMYBGG-ZDUSSCGKSA-N 2 0 228.380 1.733 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000119764080 487562018 /nfs/dbraw/zinc/56/20/18/487562018.db2.gz PGIJKYTYLLJWOL-OUCADQQQSA-N 2 0 240.391 1.731 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@@H]2CCCO2)C1 ZINC000680338568 487567832 /nfs/dbraw/zinc/56/78/32/487567832.db2.gz FFJYTEUNAGOQCI-MJBXVCDLSA-N 2 0 240.391 1.875 20 0 BDADRP [NH3+]CCC[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000334879501 487578180 /nfs/dbraw/zinc/57/81/80/487578180.db2.gz COAFDGNVUFRWJC-UHFFFAOYSA-N 2 0 216.328 1.883 20 0 BDADRP CC(C)OCCC[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000336679604 167216855 /nfs/dbraw/zinc/21/68/55/167216855.db2.gz ALMQLIAUOJWWLK-NWDGAFQWSA-N 2 0 214.353 1.471 20 0 BDADRP CC(C)OCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228477539 167237649 /nfs/dbraw/zinc/23/76/49/167237649.db2.gz ZGCLQYZWMKLWDW-YNEHKIRRSA-N 2 0 226.364 1.471 20 0 BDADRP COCCN(C)CC[NH2+][C@H]1CS[C@H](C)C1 ZINC000086935894 487587326 /nfs/dbraw/zinc/58/73/26/487587326.db2.gz DXKOKXWMZAZDTM-GHMZBOCLSA-N 2 0 232.393 1.048 20 0 BDADRP Cc1ccccc1OCCC[NH2+]CCC[NH3+] ZINC000349144897 487596633 /nfs/dbraw/zinc/59/66/33/487596633.db2.gz QTCGZSFYFAYYCC-UHFFFAOYSA-N 2 0 222.332 1.702 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1)C1CCCC1 ZINC000662265848 409559851 /nfs/dbraw/zinc/55/98/51/409559851.db2.gz JEVUVYFEKZQZTR-MRVWCRGKSA-N 2 0 240.391 1.861 20 0 BDADRP Cc1cc(CN[C@](C)(C[NH3+])C2CC2)ncn1 ZINC000662246645 409543512 /nfs/dbraw/zinc/54/35/12/409543512.db2.gz ABYOYXOMHFLCAJ-GFCCVEGCSA-N 2 0 220.320 1.002 20 0 BDADRP CC[C@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662251668 409548511 /nfs/dbraw/zinc/54/85/11/409548511.db2.gz DGVMTWQGCAXHSW-NWDGAFQWSA-N 2 0 224.348 1.382 20 0 BDADRP CC[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@H](C)C(C)C ZINC000662255360 409551749 /nfs/dbraw/zinc/55/17/49/409551749.db2.gz YCKLKMIIRRFKMF-OLZOCXBDSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]1C[C@@H](C)[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662255576 409552692 /nfs/dbraw/zinc/55/26/92/409552692.db2.gz FCNKCJWNJKJXFH-IJLUTSLNSA-N 2 0 224.348 1.238 20 0 BDADRP CO[C@H](CN(C)CC(C)(C)[NH3+])C1CCCC1 ZINC000662294175 409624963 /nfs/dbraw/zinc/62/49/63/409624963.db2.gz JLLCXKNSSADRJR-GFCCVEGCSA-N 2 0 228.380 1.861 20 0 BDADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)CC1=CCCOC1 ZINC000662304719 409627686 /nfs/dbraw/zinc/62/76/86/409627686.db2.gz AEYUCIXPDWKTBO-LBPRGKRZSA-N 2 0 224.348 1.265 20 0 BDADRP FC1(F)C[C@@H]1OCCN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000662274822 409584370 /nfs/dbraw/zinc/58/43/70/409584370.db2.gz XIZVHJIJOGDFAY-DCAQKATOSA-N 2 0 246.301 1.094 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662282557 409606947 /nfs/dbraw/zinc/60/69/47/409606947.db2.gz CFLYARCHRNWRHZ-UJPOAAIJSA-N 2 0 208.349 1.844 20 0 BDADRP C([C@@H]1C[C@H]2C[C@H]2C1)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000662283460 409611315 /nfs/dbraw/zinc/61/13/15/409611315.db2.gz OMEXWTLJXQVLSC-CLLJXQQHSA-N 2 0 220.360 1.860 20 0 BDADRP CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422969170 409758073 /nfs/dbraw/zinc/75/80/73/409758073.db2.gz UARBJPZRCIHBDT-WRWGMCAJSA-N 2 0 214.353 1.659 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)[C@H]2CCC[NH2+]CC2)cc1 ZINC000653131051 409846219 /nfs/dbraw/zinc/84/62/19/409846219.db2.gz VQJWGLPVKNFVFG-LBPRGKRZSA-N 2 0 247.342 1.474 20 0 BDADRP C[C@@H]([NH3+])CCC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662621827 409793793 /nfs/dbraw/zinc/79/37/93/409793793.db2.gz XAACXYSNUYEGHJ-GHMZBOCLSA-N 2 0 241.379 1.103 20 0 BDADRP C[C@H](CCCC[NH3+])NC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662778071 409897388 /nfs/dbraw/zinc/89/73/88/409897388.db2.gz CTGITCXXDUPIRM-MNOVXSKESA-N 2 0 241.379 1.008 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709857 410340280 /nfs/dbraw/zinc/34/02/80/410340280.db2.gz UAYYTBBHXDRXRV-MJBXVCDLSA-N 2 0 239.407 1.421 20 0 BDADRP C[C@@H]1CCCN(CC[NH2+]C(C)(C)C)[C@H]1CC[NH3+] ZINC000650712122 410342332 /nfs/dbraw/zinc/34/23/32/410342332.db2.gz RCJSFEFWQRDKNK-OLZOCXBDSA-N 2 0 241.423 1.824 20 0 BDADRP [NH3+]CC1(CC[NH2+]Cc2cccc(O)c2)CC1 ZINC000650712271 410343246 /nfs/dbraw/zinc/34/32/46/410343246.db2.gz YLRLWHVPNVOEPR-UHFFFAOYSA-N 2 0 220.316 1.611 20 0 BDADRP COCC(C)(C)C[NH2+]CCC1(C[NH3+])CC1 ZINC000650713972 410344850 /nfs/dbraw/zinc/34/48/50/410344850.db2.gz LRQSMFCZJWONQE-UHFFFAOYSA-N 2 0 214.353 1.378 20 0 BDADRP C[C@@]1(C[NH2+][C@H]2CNc3ccccc3C2)CC[NH2+]C1 ZINC000650714988 410347086 /nfs/dbraw/zinc/34/70/86/410347086.db2.gz KLGBGXKZIMYQKT-UKRRQHHQSA-N 2 0 245.370 1.612 20 0 BDADRP Cn1ncc(Cl)c1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650714336 410348361 /nfs/dbraw/zinc/34/83/61/410348361.db2.gz ZDIZGXLPSFUFQY-UHFFFAOYSA-N 2 0 242.754 1.292 20 0 BDADRP CC(C)C[N@H+](C)CCCN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000650739962 410371329 /nfs/dbraw/zinc/37/13/29/410371329.db2.gz CQNXRJFCWNLSTL-UONOGXRCSA-N 2 0 241.423 1.694 20 0 BDADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)[C@H]1CCCOC1 ZINC000650745596 410383084 /nfs/dbraw/zinc/38/30/84/410383084.db2.gz KHBVEQXKPNNWEF-NEPJUHHUSA-N 2 0 226.364 1.520 20 0 BDADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)[C@@H]1CCCO1 ZINC000650746859 410384561 /nfs/dbraw/zinc/38/45/61/410384561.db2.gz MKXQDDNSMHTYGH-MNOVXSKESA-N 2 0 212.337 1.273 20 0 BDADRP COCC[C@@H]1CCC[C@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650746936 410385583 /nfs/dbraw/zinc/38/55/83/410385583.db2.gz NQNLZDWHHJWJCZ-QWHCGFSZSA-N 2 0 240.391 1.910 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CNc2ccccc2C1 ZINC000650748121 410387517 /nfs/dbraw/zinc/38/75/17/410387517.db2.gz NMWYUQGGODIFNW-GUTXKFCHSA-N 2 0 245.370 1.740 20 0 BDADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)[C@H]1CCCC[NH2+]1 ZINC000650762010 410408841 /nfs/dbraw/zinc/40/88/41/410408841.db2.gz QBHNGWLGQXIFGS-GXTWGEPZSA-N 3 0 239.407 1.496 20 0 BDADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)[C@H]1CCC[NH2+]1 ZINC000650761641 410410011 /nfs/dbraw/zinc/41/00/11/410410011.db2.gz GDXCIGJOLOBSSH-DGCLKSJQSA-N 3 0 225.380 1.106 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650762216 410412878 /nfs/dbraw/zinc/41/28/78/410412878.db2.gz XGCKHGBEUXVNLC-TZMCWYRMSA-N 3 0 239.407 1.354 20 0 BDADRP CC[C@@H]([NH2+]CCC1CC[NH2+]CC1)[C@@H]1CCOC1 ZINC000650764193 410414802 /nfs/dbraw/zinc/41/48/02/410414802.db2.gz SEELGOCKJDHMFQ-ZIAGYGMSSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1cccc(N)c1 ZINC000665232940 410723493 /nfs/dbraw/zinc/72/34/93/410723493.db2.gz YBINCJXNKAFNAZ-ZLKJLUDKSA-N 2 0 249.358 1.111 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2([NH3+])CCCC2)[C@@H](C)O1 ZINC000665246266 410728952 /nfs/dbraw/zinc/72/89/52/410728952.db2.gz AKKRYKHEFRCVEL-GMTAPVOTSA-N 2 0 212.337 1.413 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CC[C@H]1CCCO1 ZINC000393752168 410756808 /nfs/dbraw/zinc/75/68/08/410756808.db2.gz XDVOTZFNLRQKMT-VXGBXAGGSA-N 2 0 214.353 1.663 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000393952846 410772211 /nfs/dbraw/zinc/77/22/11/410772211.db2.gz QVWZUXRWDWVGIJ-SDDRHHMPSA-N 2 0 212.337 1.271 20 0 BDADRP C[NH2+]C[C@H](C)N[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000665297811 410824210 /nfs/dbraw/zinc/82/42/10/410824210.db2.gz LZAFFJPLNYVOTE-RVMXOQNASA-N 2 0 225.380 1.057 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000396454699 410882209 /nfs/dbraw/zinc/88/22/09/410882209.db2.gz XPUJBRGSQCXNBC-OLZOCXBDSA-N 3 0 239.407 1.306 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cccc(N)c1 ZINC000653299417 410818594 /nfs/dbraw/zinc/81/85/94/410818594.db2.gz SUAAUWQMZRGCLT-MFKMUULPSA-N 2 0 219.332 1.580 20 0 BDADRP CC(C)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000037482876 167101708 /nfs/dbraw/zinc/10/17/08/167101708.db2.gz MANSBMMQUFKIJX-BETUJISGSA-N 2 0 228.380 1.874 20 0 BDADRP CC(C)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000125518973 167102100 /nfs/dbraw/zinc/10/21/00/167102100.db2.gz RLYMSKCXTZVQIA-GFCCVEGCSA-N 2 0 214.353 1.221 20 0 BDADRP CC(C)OCCC[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000336755195 167216560 /nfs/dbraw/zinc/21/65/60/167216560.db2.gz XOEAUCIAGXASMI-NEPJUHHUSA-N 2 0 214.353 1.471 20 0 BDADRP CC(C)OCCC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360566903 167217192 /nfs/dbraw/zinc/21/71/92/167217192.db2.gz BNWRVRDTIHVREJ-ZDUSSCGKSA-N 2 0 226.364 1.487 20 0 BDADRP CC(C)OCC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000132729499 167241287 /nfs/dbraw/zinc/24/12/87/167241287.db2.gz MDOGAOKOZCOPCD-UHFFFAOYSA-N 2 0 228.380 1.874 20 0 BDADRP COC[C@H]([NH2+]CCC[NH2+]C(C)C)C1CC1 ZINC000398034282 410940361 /nfs/dbraw/zinc/94/03/61/410940361.db2.gz MNHIZVROGFUEHZ-LBPRGKRZSA-N 2 0 214.353 1.389 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H](CO)CCF)[C@H](C)C1 ZINC000652019086 410999716 /nfs/dbraw/zinc/99/97/16/410999716.db2.gz JIYCNMMVPJLCQP-UTUOFQBUSA-N 2 0 232.343 1.027 20 0 BDADRP COC[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)C1CC1 ZINC000398126743 410945397 /nfs/dbraw/zinc/94/53/97/410945397.db2.gz RSJWVKQIGQCDEV-CQSZACIVSA-N 2 0 234.343 1.660 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCC[C@H]1O)C1CC[NH+](C)CC1 ZINC000651473700 411055481 /nfs/dbraw/zinc/05/54/81/411055481.db2.gz HRSLRAQLRIRHCI-KWCYVHTRSA-N 2 0 240.391 1.467 20 0 BDADRP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000651864885 411147940 /nfs/dbraw/zinc/14/79/40/411147940.db2.gz HXGVCHPODZXCEK-ZIAGYGMSSA-N 2 0 242.407 1.979 20 0 BDADRP Cc1ncccc1CN[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000655941096 411160497 /nfs/dbraw/zinc/16/04/97/411160497.db2.gz MDSLYDXKSCAOQL-MPKXVKKWSA-N 2 0 233.359 1.866 20 0 BDADRP C[C@H](O)C[N@H+](CC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000655949221 411161324 /nfs/dbraw/zinc/16/13/24/411161324.db2.gz PZOHAHFESDXGAV-RYUDHWBXSA-N 2 0 226.364 1.221 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000655947680 411161528 /nfs/dbraw/zinc/16/15/28/411161528.db2.gz VKAHHRYGSNNJKF-CYBMUJFWSA-N 2 0 226.364 1.629 20 0 BDADRP CC[NH+](CC)[C@H]1CCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000249985221 169801671 /nfs/dbraw/zinc/80/16/71/169801671.db2.gz SEGHXYLDUCQFTK-KBPBESRZSA-N 2 0 239.407 1.402 20 0 BDADRP c1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)nc1 ZINC000400993091 411168343 /nfs/dbraw/zinc/16/83/43/411168343.db2.gz ARWSOYOQYPIGQQ-VNHYZAJKSA-N 2 0 245.370 1.602 20 0 BDADRP Cc1ncc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000400995665 411168369 /nfs/dbraw/zinc/16/83/69/411168369.db2.gz IQHHZJHJIRFEEI-GRYCIOLGSA-N 2 0 235.331 1.461 20 0 BDADRP CC[C@@H]([NH2+]CC(C)(C)CO)[C@@H]1CCC[NH2+]1 ZINC000643475027 411169718 /nfs/dbraw/zinc/16/97/18/411169718.db2.gz PTPBJRBOYOBQAM-MNOVXSKESA-N 2 0 214.353 1.125 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCCC[C@H]1CO ZINC000653783940 411170137 /nfs/dbraw/zinc/17/01/37/411170137.db2.gz YTZKUOPWVFZKQD-KGLIPLIRSA-N 2 0 240.391 1.708 20 0 BDADRP c1coc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000401118640 411176102 /nfs/dbraw/zinc/17/61/02/411176102.db2.gz IXCQPTKGICWJMY-JHJVBQTASA-N 2 0 234.343 1.800 20 0 BDADRP CC[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)OC ZINC000401083099 411176516 /nfs/dbraw/zinc/17/65/16/411176516.db2.gz SUBWVYPEWZKRLL-UMSGYPCISA-N 2 0 226.364 1.389 20 0 BDADRP CC[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)OC ZINC000401083100 411176580 /nfs/dbraw/zinc/17/65/80/411176580.db2.gz SUBWVYPEWZKRLL-WUHRBBMRSA-N 2 0 226.364 1.389 20 0 BDADRP CCn1ccnc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401087744 411176603 /nfs/dbraw/zinc/17/66/03/411176603.db2.gz SBMAOSJQRSNPGX-YNEHKIRRSA-N 2 0 248.374 1.381 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)O1 ZINC000401151785 411178159 /nfs/dbraw/zinc/17/81/59/411178159.db2.gz PUHFWTBDWWEHFN-DHGKCCLASA-N 2 0 238.375 1.532 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)O1 ZINC000401151791 411178312 /nfs/dbraw/zinc/17/83/12/411178312.db2.gz PUHFWTBDWWEHFN-RKQHYHRCSA-N 2 0 238.375 1.532 20 0 BDADRP CCOCCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401093079 411178374 /nfs/dbraw/zinc/17/83/74/411178374.db2.gz VYQCVKCODZRNNJ-MGPQQGTHSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@H](CCO)CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401149327 411178687 /nfs/dbraw/zinc/17/86/87/411178687.db2.gz PAJNJGRZFDFGPH-REWJHTLYSA-N 2 0 240.391 1.373 20 0 BDADRP OC1(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCC1 ZINC000401174802 411179234 /nfs/dbraw/zinc/17/92/34/411179234.db2.gz YFESKMFWDPASFD-FRRDWIJNSA-N 2 0 238.375 1.269 20 0 BDADRP C(CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C[NH+]1CCC1 ZINC000655754169 411184003 /nfs/dbraw/zinc/18/40/03/411184003.db2.gz LAPHFZGUIYGJOL-KGLIPLIRSA-N 2 0 237.391 1.299 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@H](CO)CCF)[C@H]2CCC[C@H]21 ZINC000652301699 411193420 /nfs/dbraw/zinc/19/34/20/411193420.db2.gz FRVBNJSHFNAFMP-QNWHQSFQSA-N 2 0 244.354 1.169 20 0 BDADRP CC1(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]CC1 ZINC000656193035 411198800 /nfs/dbraw/zinc/19/88/00/411198800.db2.gz JHZIRULJWCYBQN-NEPJUHHUSA-N 3 0 225.380 1.236 20 0 BDADRP C[C@@H](C[NH2+][C@H]1COC2(CCC2)C1)C[NH+](C)C ZINC000658019006 411199736 /nfs/dbraw/zinc/19/97/36/411199736.db2.gz WAHDMXJENSNGDB-NWDGAFQWSA-N 2 0 226.364 1.485 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CC2(CO)CCC2)C1 ZINC000656198437 411203312 /nfs/dbraw/zinc/20/33/12/411203312.db2.gz VOQWKGCNKIUMJA-WDEREUQCSA-N 2 0 212.337 1.009 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]1CCCC[NH2+]1 ZINC000656199678 411203370 /nfs/dbraw/zinc/20/33/70/411203370.db2.gz AWKZURVZDGZXLY-IGQOVBAYSA-N 3 0 239.407 1.447 20 0 BDADRP C[C@@H](C[NH3+])N(C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652336042 411203587 /nfs/dbraw/zinc/20/35/87/411203587.db2.gz ZSSASPITAVEHRF-NSHDSACASA-N 2 0 233.359 1.111 20 0 BDADRP COCC1(C[NH2+][C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000656199948 411203988 /nfs/dbraw/zinc/20/39/88/411203988.db2.gz GYTGKKHCDSMHPF-QWRGUYRKSA-N 2 0 212.337 1.130 20 0 BDADRP CC[C@@H]1OCC[C@H]1[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000656199859 411204023 /nfs/dbraw/zinc/20/40/23/411204023.db2.gz AJUDAMUXWWYKJY-YFKTTZPYSA-N 2 0 212.337 1.413 20 0 BDADRP COCC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000656200025 411204490 /nfs/dbraw/zinc/20/44/90/411204490.db2.gz INNGLDZLRZEEKB-FRRDWIJNSA-N 2 0 238.375 1.391 20 0 BDADRP COCC1(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000656200301 411204616 /nfs/dbraw/zinc/20/46/16/411204616.db2.gz LCZWVSOWULDRMM-VXGBXAGGSA-N 2 0 226.364 1.520 20 0 BDADRP COc1c(C)cccc1CN[C@@H]1CCC[C@H]1[NH3+] ZINC000656201321 411206155 /nfs/dbraw/zinc/20/61/55/411206155.db2.gz VNHJBMNURRLFIC-CHWSQXEVSA-N 2 0 234.343 1.973 20 0 BDADRP C[C@H](Cc1ccccn1)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000656201065 411206273 /nfs/dbraw/zinc/20/62/73/411206273.db2.gz JHSSBYKNZIFHDQ-MNOVXSKESA-N 2 0 219.332 1.210 20 0 BDADRP CCO[C@@H]1C[N@H+](CCCCCOC)C[C@H]1C[NH3+] ZINC000652356908 411215146 /nfs/dbraw/zinc/21/51/46/411215146.db2.gz PFDZQVQOHACAOZ-CHWSQXEVSA-N 2 0 244.379 1.099 20 0 BDADRP CC(C)[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1CCC1 ZINC000660079948 411221111 /nfs/dbraw/zinc/22/11/11/411221111.db2.gz VCRLERWNSBHSQU-CQSZACIVSA-N 2 0 242.407 1.950 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CCC[NH2+]1 ZINC000423173586 411236527 /nfs/dbraw/zinc/23/65/27/411236527.db2.gz ZGYOWLUECJAZIS-UJPOAAIJSA-N 2 0 208.349 1.905 20 0 BDADRP CC[NH2+]CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000423232930 411237808 /nfs/dbraw/zinc/23/78/08/411237808.db2.gz JCUKAFPTIVPPHC-UPJWGTAASA-N 2 0 225.380 1.058 20 0 BDADRP CC[C@@H]1C[N@H+](Cc2cccnc2C)CC[C@H]1[NH3+] ZINC000310516698 411239220 /nfs/dbraw/zinc/23/92/20/411239220.db2.gz RVPUPYLGXVEBJG-TZMCWYRMSA-N 2 0 233.359 1.949 20 0 BDADRP Cc1cc(CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)no1 ZINC000310544165 411241309 /nfs/dbraw/zinc/24/13/09/411241309.db2.gz UHRHVUQBYDARMK-AAEUAGOBSA-N 2 0 235.331 1.544 20 0 BDADRP Cc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000400947887 411165786 /nfs/dbraw/zinc/16/57/86/411165786.db2.gz BAOPKSUQQPILDH-MGPQQGTHSA-N 2 0 245.370 1.868 20 0 BDADRP CC(C)OCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400955468 411166574 /nfs/dbraw/zinc/16/65/74/411166574.db2.gz JEZIWTIODQCQPE-MGPQQGTHSA-N 2 0 240.391 1.779 20 0 BDADRP CC1(C)C[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400955640 411166649 /nfs/dbraw/zinc/16/66/49/411166649.db2.gz YHXINBABMAHPJV-QCNOEVLYSA-N 2 0 208.349 1.763 20 0 BDADRP CC(C)N(C)CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400975257 411167414 /nfs/dbraw/zinc/16/74/14/411167414.db2.gz OTPKFRYGTMKVDP-MELADBBJSA-N 2 0 239.407 1.304 20 0 BDADRP COCCCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400974496 411167638 /nfs/dbraw/zinc/16/76/38/411167638.db2.gz RBEIKJMVQIILKH-MGPQQGTHSA-N 2 0 240.391 1.781 20 0 BDADRP CC(C)(CCO)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400970970 411167829 /nfs/dbraw/zinc/16/78/29/411167829.db2.gz PDSQMUSCPGZNOX-JHJVBQTASA-N 2 0 240.391 1.373 20 0 BDADRP CC[N@H+](CCC1CC[NH2+]CC1)[C@H]1CCCOC1 ZINC000402581429 411267702 /nfs/dbraw/zinc/26/77/02/411267702.db2.gz DINFFFOYERPJSL-AWEZNQCLSA-N 2 0 240.391 1.877 20 0 BDADRP CC[NH+]1CCC([NH2+]CCO[C@@H]2CC2(F)F)CC1 ZINC000658167517 411278532 /nfs/dbraw/zinc/27/85/32/411278532.db2.gz UWGSDJTUVBUAHM-LLVKDONJSA-N 2 0 248.317 1.485 20 0 BDADRP Cc1cc(C)n(CCN2CC[C@@H]3CC[NH2+][C@H]3C2)n1 ZINC000649419193 411284582 /nfs/dbraw/zinc/28/45/82/411284582.db2.gz HWQNIAKNTBJBPX-KBPBESRZSA-N 2 0 248.374 1.184 20 0 BDADRP CC[NH+]1CCC(N(C)C[C@@H]2CC[NH2+]C2)CC1 ZINC000051889840 411284936 /nfs/dbraw/zinc/28/49/36/411284936.db2.gz ZZUIMWWMNWUBGM-GFCCVEGCSA-N 2 0 225.380 1.012 20 0 BDADRP CCC(CC)[N@H+](CCOC)C[C@H]1CC[NH2+]C1 ZINC000051889831 411285733 /nfs/dbraw/zinc/28/57/33/411285733.db2.gz GJFUWDRHWYGBOE-LBPRGKRZSA-N 2 0 228.380 1.733 20 0 BDADRP CC[C@@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000658189992 411285731 /nfs/dbraw/zinc/28/57/31/411285731.db2.gz BAIVNXGAASJQIW-YVECIDJPSA-N 2 0 226.364 1.220 20 0 BDADRP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)nc1 ZINC000310970209 411302269 /nfs/dbraw/zinc/30/22/69/411302269.db2.gz IAKFFRHIFCKEKR-ZFWWWQNUSA-N 2 0 245.370 1.951 20 0 BDADRP C([C@@H]1CC[NH2+]C1)[N@@H+]1CCC2(C1)CCOCC2 ZINC000303392199 411317945 /nfs/dbraw/zinc/31/79/45/411317945.db2.gz WPIKFOVXOVNTRC-GFCCVEGCSA-N 2 0 224.348 1.098 20 0 BDADRP CN(C[C@H](O)C[N@@H+]1C[C@@H]2CCCC[C@@H]21)C1CC1 ZINC000656701052 411325618 /nfs/dbraw/zinc/32/56/18/411325618.db2.gz BEGKGAOLCXQNNQ-UBHSHLNASA-N 2 0 238.375 1.316 20 0 BDADRP CC(C)(C)[NH+]1CCC([NH2+]C/C=C\CO)CC1 ZINC000658134484 411259627 /nfs/dbraw/zinc/25/96/27/411259627.db2.gz RCFXUADZTLMPMD-PLNGDYQASA-N 2 0 226.364 1.387 20 0 BDADRP CC[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)[C@H](C)CO1 ZINC000404068220 411374200 /nfs/dbraw/zinc/37/42/00/411374200.db2.gz LCVFLMYDEZISJP-JHJVBQTASA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+]Cc2cccc(N)c2)CC[NH2+]1 ZINC000656786302 411364159 /nfs/dbraw/zinc/36/41/59/411364159.db2.gz VWDZQHPFSGTMRS-DGCLKSJQSA-N 2 0 233.359 1.747 20 0 BDADRP C[C@H]1C[C@@H](C[NH2+]Cc2cccc(N)c2)CC[NH2+]1 ZINC000656786301 411364461 /nfs/dbraw/zinc/36/44/61/411364461.db2.gz VWDZQHPFSGTMRS-AAEUAGOBSA-N 2 0 233.359 1.747 20 0 BDADRP c1cc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n[nH]1 ZINC000656786968 411365619 /nfs/dbraw/zinc/36/56/19/411365619.db2.gz YKANMMRKTBKMLN-ZDUSSCGKSA-N 2 0 248.374 1.621 20 0 BDADRP [NH3+][C@H](CNCc1ccc2c(c1)C[NH2+]CC2)C1CC1 ZINC000656787291 411366418 /nfs/dbraw/zinc/36/64/18/411366418.db2.gz WSJAFZXJLDJGCU-OAHLLOKOSA-N 2 0 245.370 1.159 20 0 BDADRP C[C@@]12COC[C@]1(C)C[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000656788163 411367085 /nfs/dbraw/zinc/36/70/85/411367085.db2.gz QHFUQBWWAQSFAR-OKILXGFUSA-N 2 0 238.375 1.344 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+]CC2([NH3+])CCCC2)CC[NH2+]1 ZINC000656789525 411368885 /nfs/dbraw/zinc/36/88/85/411368885.db2.gz PMCTYUNWWFLVKX-VXGBXAGGSA-N 3 0 225.380 1.236 20 0 BDADRP CCOC[C@@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC000656789541 411369469 /nfs/dbraw/zinc/36/94/69/411369469.db2.gz PVADMBAOJHJPLB-SNVBAGLBSA-N 2 0 200.326 1.273 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@]2(C)OC)[C@H](C)C1 ZINC000658330360 411338253 /nfs/dbraw/zinc/33/82/53/411338253.db2.gz CXUQZWGXELNXBP-LPWJVIDDSA-N 2 0 226.364 1.484 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403419371 411344274 /nfs/dbraw/zinc/34/42/74/411344274.db2.gz VXWCZTYPKSBWPM-RVMXOQNASA-N 2 0 226.364 1.519 20 0 BDADRP C[C@@H](O)CCC[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660665076 411377174 /nfs/dbraw/zinc/37/71/74/411377174.db2.gz TZMVRWAJJYYAOP-KGLIPLIRSA-N 2 0 240.391 1.565 20 0 BDADRP CC1CC[NH+](CC2CC[NH+](CCO)CC2)CC1 ZINC000363429686 168179235 /nfs/dbraw/zinc/17/92/35/168179235.db2.gz POBALUYRBCNSSV-UHFFFAOYSA-N 2 0 240.391 1.423 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CCN1CCC(C)CC1 ZINC000336648746 168181407 /nfs/dbraw/zinc/18/14/07/168181407.db2.gz GNIKOUCYNVKOQV-ZDUSSCGKSA-N 2 0 227.396 1.435 20 0 BDADRP CC(C)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000034978437 168182346 /nfs/dbraw/zinc/18/23/46/168182346.db2.gz ZMTMEYMLSLLNRK-LBPRGKRZSA-N 2 0 214.353 1.077 20 0 BDADRP CCOCC[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404309029 411389966 /nfs/dbraw/zinc/38/99/66/411389966.db2.gz JMNPKXJPFYBAKE-VXGBXAGGSA-N 2 0 214.353 1.472 20 0 BDADRP C[C@H]1CCC[N@H+](CCCF)[C@H]1CC[NH3+] ZINC000404305402 411390096 /nfs/dbraw/zinc/39/00/96/411390096.db2.gz RUMMUZWIUMSQLP-QWRGUYRKSA-N 2 0 202.317 1.795 20 0 BDADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](C)C[NH+](C)C ZINC000346285341 168301515 /nfs/dbraw/zinc/30/15/15/168301515.db2.gz YNSWBCDCQLWJRW-GHMZBOCLSA-N 2 0 243.395 1.219 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]2COC[C@@H]21 ZINC000657294439 411455860 /nfs/dbraw/zinc/45/58/60/411455860.db2.gz COYYEWGRHGBKEA-MCIONIFRSA-N 2 0 238.375 1.582 20 0 BDADRP C[C@H]1CCC[N@H+](Cc2cncn2C)[C@@H]1CC[NH3+] ZINC000404374588 411392567 /nfs/dbraw/zinc/39/25/67/411392567.db2.gz KGNJQJPGCHRSSP-WCQYABFASA-N 2 0 236.363 1.369 20 0 BDADRP CC(C)O[C@H]1CCC[N@H+](CCC[NH3+])C1 ZINC000404800224 411408020 /nfs/dbraw/zinc/40/80/20/411408020.db2.gz YFSMGZYALPRFIC-NSHDSACASA-N 2 0 200.326 1.225 20 0 BDADRP CCO[C@@H]1C[N@H+](C[C@@H](C)CC(C)C)C[C@H]1C[NH3+] ZINC000405533066 411433714 /nfs/dbraw/zinc/43/37/14/411433714.db2.gz NOAZLWRCHFLZGE-BFHYXJOUSA-N 2 0 242.407 1.964 20 0 BDADRP CC[NH2+]CC1CCN(CC[NH2+]C(C)(C)C)CC1 ZINC000414658152 411437989 /nfs/dbraw/zinc/43/79/89/411437989.db2.gz JALDMSJMZPSTBE-UHFFFAOYSA-N 3 0 241.423 1.696 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414817601 411447020 /nfs/dbraw/zinc/44/70/20/411447020.db2.gz BAIQJMXCRSUWIZ-AVGNSLFASA-N 2 0 227.396 1.338 20 0 BDADRP CC[NH+]1CCC(NCc2cnn3c2CCC3)CC1 ZINC000657292333 411453353 /nfs/dbraw/zinc/45/33/53/411453353.db2.gz IDFNFRKZTUZRGZ-UHFFFAOYSA-N 2 0 248.374 1.403 20 0 BDADRP Cc1c[nH]c(CNCCC[NH+]2CCCC2)n1 ZINC000657295480 411454627 /nfs/dbraw/zinc/45/46/27/411454627.db2.gz DGBOUXCUSBDBIC-UHFFFAOYSA-N 2 0 222.336 1.294 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](CC)C2)CO1 ZINC000657337179 411471515 /nfs/dbraw/zinc/47/15/15/411471515.db2.gz LKPCZMHTFPYVSJ-HZSPNIEDSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1c[nH]c(C[NH2+]CCC2CC[NH+](C)CC2)n1 ZINC000657348089 411475363 /nfs/dbraw/zinc/47/53/63/411475363.db2.gz JXULCOSSOMHARL-UHFFFAOYSA-N 2 0 236.363 1.540 20 0 BDADRP C(CC1CCC1)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000659850489 411476531 /nfs/dbraw/zinc/47/65/31/411476531.db2.gz QSBKQFUPCICRCJ-BETUJISGSA-N 2 0 208.349 1.718 20 0 BDADRP Cc1ncc(C[NH2+]CC2=CC[N@H+](C)CC2)n1C ZINC000657427084 411503974 /nfs/dbraw/zinc/50/39/74/411503974.db2.gz LIFLHIIXTCUVLY-UHFFFAOYSA-N 2 0 234.347 1.080 20 0 BDADRP CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1CCC1 ZINC000659939484 411504444 /nfs/dbraw/zinc/50/44/44/411504444.db2.gz HQIRXKKEQPZIKM-ZDUSSCGKSA-N 2 0 228.380 1.562 20 0 BDADRP CO[C@@H](C)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657447850 411513519 /nfs/dbraw/zinc/51/35/19/411513519.db2.gz UYCBKZRWWOLAFW-NSHDSACASA-N 2 0 246.314 1.392 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1CCCO1 ZINC000655805314 411519341 /nfs/dbraw/zinc/51/93/41/411519341.db2.gz LSWPMRZPZWIPSU-RVMXOQNASA-N 2 0 226.364 1.484 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cn[nH]c1 ZINC000655804080 411519711 /nfs/dbraw/zinc/51/97/11/411519711.db2.gz ODKYOFXFDICVRX-FOGDFJRCSA-N 2 0 222.336 1.401 20 0 BDADRP CC[C@H](COC)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805391 411519741 /nfs/dbraw/zinc/51/97/41/411519741.db2.gz HBOCVNRMMAOZGB-UTUOFQBUSA-N 2 0 214.353 1.341 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCCSC2)C1 ZINC000655805827 411520285 /nfs/dbraw/zinc/52/02/85/411520285.db2.gz SXFWAULUTRMLOQ-UTUOFQBUSA-N 2 0 228.405 1.812 20 0 BDADRP C[C@H]1OCC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805669 411520479 /nfs/dbraw/zinc/52/04/79/411520479.db2.gz RDSZXTNGHKIGSS-WYUUTHIRSA-N 2 0 212.337 1.094 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CC[N@@H+]1C ZINC000655805851 411520771 /nfs/dbraw/zinc/52/07/71/411520771.db2.gz MEEPJYPGVHKSKF-IGQOVBAYSA-N 3 0 239.407 1.399 20 0 BDADRP Cc1cnn(C)c1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655824104 411526507 /nfs/dbraw/zinc/52/65/07/411526507.db2.gz DZGUFQTWMZVRPV-TXEJJXNPSA-N 2 0 236.363 1.158 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)C2CCOCC2)C1 ZINC000353910405 170009194 /nfs/dbraw/zinc/00/91/94/170009194.db2.gz DLNCTJLCDZCIND-OLZOCXBDSA-N 2 0 240.391 1.733 20 0 BDADRP CC[N@@H+]1CC[C@@H](NC2CC[NH+](C(C)C)CC2)C1 ZINC000328515517 170012091 /nfs/dbraw/zinc/01/20/91/170012091.db2.gz PKKCOWCUNIGBDB-CQSZACIVSA-N 2 0 239.407 1.543 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@H]2CCSC2)C1 ZINC000300230736 170015217 /nfs/dbraw/zinc/01/52/17/170015217.db2.gz CVJAHRYAGMZDNM-VXGBXAGGSA-N 2 0 228.405 1.671 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000250336067 170016588 /nfs/dbraw/zinc/01/65/88/170016588.db2.gz PCDXNGMZHSFLMM-MCIONIFRSA-N 3 0 239.407 1.435 20 0 BDADRP Cc1nc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)[nH]c1C ZINC000657504721 411538833 /nfs/dbraw/zinc/53/88/33/411538833.db2.gz LPCBMGWMBFNGFS-TXEJJXNPSA-N 2 0 236.363 1.456 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CCOC2)[C@H](C)C1 ZINC000336717200 170019718 /nfs/dbraw/zinc/01/97/18/170019718.db2.gz WEQIMNQLBVDWTG-RDBSUJKOSA-N 2 0 240.391 1.685 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccccn2)[C@H](C)C1 ZINC000151403419 170020072 /nfs/dbraw/zinc/02/00/72/170020072.db2.gz MPLZFJZKKGQBPV-HIFRSBDPSA-N 2 0 247.386 1.944 20 0 BDADRP Cn1cc(C[NH2+]C[C@H]2CCN2C(C)(C)C)cn1 ZINC000657522192 411540898 /nfs/dbraw/zinc/54/08/98/411540898.db2.gz BJHQZKGPEYIEAU-GFCCVEGCSA-N 2 0 236.363 1.383 20 0 BDADRP OC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCC1 ZINC000657559774 411550706 /nfs/dbraw/zinc/55/07/06/411550706.db2.gz QSRDEZGBZBLGKI-MCIONIFRSA-N 2 0 238.375 1.364 20 0 BDADRP CC[NH2+]Cc1cccc(NC(=O)C2([NH3+])CCC2)c1 ZINC000296617565 170128220 /nfs/dbraw/zinc/12/82/20/170128220.db2.gz ZRKIXEQYXPRWSO-UHFFFAOYSA-N 2 0 247.342 1.616 20 0 BDADRP CC[NH2+][C@H](C)CNC(=O)[C@H](CC)[NH+](CC)CC ZINC000358915473 170158144 /nfs/dbraw/zinc/15/81/44/170158144.db2.gz OVFFYFKSUMMCNU-NEPJUHHUSA-N 2 0 243.395 1.221 20 0 BDADRP CCOCC(C)(C)C[NH2+][C@H](C)CCC[NH3+] ZINC000336671951 170352134 /nfs/dbraw/zinc/35/21/34/170352134.db2.gz GIPNUEJFPLQSEA-LLVKDONJSA-N 2 0 216.369 1.766 20 0 BDADRP CCOCCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353174405 170370831 /nfs/dbraw/zinc/37/08/31/170370831.db2.gz WXJWXOQRUZALHG-PBWFPOADSA-N 2 0 240.391 1.970 20 0 BDADRP CCOCCC[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000336683147 170374706 /nfs/dbraw/zinc/37/47/06/170374706.db2.gz SMYNXSGOLMLQMH-CYBMUJFWSA-N 2 0 228.380 1.687 20 0 BDADRP CCOCC[N@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000082666930 170396661 /nfs/dbraw/zinc/39/66/61/170396661.db2.gz HFYIATHHCSFUSI-GFCCVEGCSA-N 2 0 214.353 1.487 20 0 BDADRP CCOCC[N@H+](CCC[NH3+])CC1CCCC1 ZINC000352503677 170396936 /nfs/dbraw/zinc/39/69/36/170396936.db2.gz ITVVVTKDZPCLGS-UHFFFAOYSA-N 2 0 228.380 1.864 20 0 BDADRP CCOCC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357075902 170398352 /nfs/dbraw/zinc/39/83/52/170398352.db2.gz JKBBTIGPFHEUQR-ZDUSSCGKSA-N 2 0 226.364 1.344 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCOCCF)CN1C1CC1 ZINC000663339810 411629184 /nfs/dbraw/zinc/62/91/84/411629184.db2.gz CMZLZCRDHAESFV-WDEREUQCSA-N 2 0 230.327 1.187 20 0 BDADRP FCCOCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000663338856 411629976 /nfs/dbraw/zinc/62/99/76/411629976.db2.gz OKTRYHMRIFGDLY-VXGBXAGGSA-N 2 0 230.327 1.189 20 0 BDADRP C[N@H+]1C[C@@H]2C[NH+](C[C@@H]3C[C@H]4C[C@H]4C3)C[C@@H]2C1 ZINC000660436309 411584218 /nfs/dbraw/zinc/58/42/18/411584218.db2.gz IJRFSYFNNHLWLG-KYGRNUTJSA-N 2 0 220.360 1.526 20 0 BDADRP CO[C@@]1(C)C[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000657790094 411596574 /nfs/dbraw/zinc/59/65/74/411596574.db2.gz NCXKADLYMLIZFJ-LOWDOPEQSA-N 2 0 224.348 1.380 20 0 BDADRP COC[C@H](C)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660659193 411613934 /nfs/dbraw/zinc/61/39/34/411613934.db2.gz NLYSBKXYQBSYSD-STQMWFEESA-N 2 0 226.364 1.439 20 0 BDADRP CC(C)[C@H]1C[C@H]([NH2+]CC23CC(C2)C[NH2+]3)CCO1 ZINC000663497108 411678608 /nfs/dbraw/zinc/67/86/08/411678608.db2.gz BUWNUDUPQHBDSA-CEUNDQEZSA-N 2 0 238.375 1.532 20 0 BDADRP C(NC1CC[NH+](CC2CC2)CC1)C12CC(C1)C[NH2+]2 ZINC000663498271 411680659 /nfs/dbraw/zinc/68/06/59/411680659.db2.gz OEBUIKBXWZQPHQ-UHFFFAOYSA-N 2 0 249.402 1.202 20 0 BDADRP CCOC[C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000663498696 411682221 /nfs/dbraw/zinc/68/22/21/411682221.db2.gz DKLCJRIHRJLHMX-GHMZBOCLSA-N 2 0 202.342 1.374 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cnn(C(C)C)c1 ZINC000663498112 411682339 /nfs/dbraw/zinc/68/23/39/411682339.db2.gz LQTJHRJZWGNDSK-CYBMUJFWSA-N 2 0 238.379 1.927 20 0 BDADRP COC[C@H](C)C[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000663502393 411686333 /nfs/dbraw/zinc/68/63/33/411686333.db2.gz HURKEYBUGSILET-GHMZBOCLSA-N 2 0 202.342 1.232 20 0 BDADRP CCn1nccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000663512041 411694435 /nfs/dbraw/zinc/69/44/35/411694435.db2.gz DWAWJQVMGDHZSJ-YNEHKIRRSA-N 2 0 248.374 1.381 20 0 BDADRP C[NH2+]C[C@H](C)N[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000663514215 411695798 /nfs/dbraw/zinc/69/57/98/411695798.db2.gz PAWGOIUTCXHKPH-FRRDWIJNSA-N 2 0 227.396 1.495 20 0 BDADRP C[N@H+](C[C@H]1CC1(C)C)C[C@@]1(C)CC[NH2+]C1 ZINC000663514759 411695856 /nfs/dbraw/zinc/69/58/56/411695856.db2.gz SQPKJWOSAXWRDC-YPMHNXCESA-N 2 0 210.365 1.964 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](CCF)C1 ZINC000661690561 411832545 /nfs/dbraw/zinc/83/25/45/411832545.db2.gz RQWQTWFMACCHSY-CHWSQXEVSA-N 2 0 246.370 1.371 20 0 BDADRP CCCN(C)CC(C)(C)[NH2+]CC[C@H](C)O ZINC000662179031 412020517 /nfs/dbraw/zinc/02/05/17/412020517.db2.gz FFHIUIZZAVJCNQ-NSHDSACASA-N 2 0 216.369 1.467 20 0 BDADRP CC[C@H](C)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662154581 412009744 /nfs/dbraw/zinc/00/97/44/412009744.db2.gz XWJKJPPHAQBTSO-GXTWGEPZSA-N 2 0 240.391 1.564 20 0 BDADRP CCC[N@H+](C)CC(C)(C)NC(=O)CCCC[NH3+] ZINC000664718282 412014173 /nfs/dbraw/zinc/01/41/73/412014173.db2.gz BLHBDZNDZMYIBD-UHFFFAOYSA-N 2 0 243.395 1.352 20 0 BDADRP CC[C@@H](O)CC[NH2+][C@H](C)CCCC[NH3+] ZINC000336695549 170926318 /nfs/dbraw/zinc/92/63/18/170926318.db2.gz SQKDRCTXASOICP-GHMZBOCLSA-N 2 0 202.342 1.255 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000662222510 412031124 /nfs/dbraw/zinc/03/11/24/412031124.db2.gz FRZQTZSFEHMIPA-CQSZACIVSA-N 2 0 238.375 1.489 20 0 BDADRP CO[C@@H](C[NH+]1CCC([NH3+])CC1)C1CCCC1 ZINC000662240983 412036689 /nfs/dbraw/zinc/03/66/89/412036689.db2.gz OPYAEHXNZUURCW-ZDUSSCGKSA-N 2 0 226.364 1.615 20 0 BDADRP CO[C@@H](C[N@H+](C)CCC[NH3+])C1CCCC1 ZINC000662243934 412040148 /nfs/dbraw/zinc/04/01/48/412040148.db2.gz DJIIRJUSMWDNAS-LBPRGKRZSA-N 2 0 214.353 1.472 20 0 BDADRP CO[C@@H](C[NH+]1CCC([C@@H](C)[NH3+])CC1)C1CCC1 ZINC000662246726 412043604 /nfs/dbraw/zinc/04/36/04/412043604.db2.gz QQHPLXJIECOKAL-RISCZKNCSA-N 2 0 240.391 1.861 20 0 BDADRP C[C@@H]1C[C@@H](C)C[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662249628 412045774 /nfs/dbraw/zinc/04/57/74/412045774.db2.gz QQRSDXLLEWVGCF-JHJVBQTASA-N 2 0 238.375 1.485 20 0 BDADRP CCC[N@H+](CC1CC1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662250126 412046481 /nfs/dbraw/zinc/04/64/81/412046481.db2.gz YOXXQTNAVMMBLR-ZDUSSCGKSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@@H]1C[C@@H](C)C[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662249629 412047334 /nfs/dbraw/zinc/04/73/34/412047334.db2.gz QQRSDXLLEWVGCF-UPJWGTAASA-N 2 0 238.375 1.485 20 0 BDADRP CC(C)[C@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662250769 412048772 /nfs/dbraw/zinc/04/87/72/412048772.db2.gz NOXIQUQKTABHQS-QWHCGFSZSA-N 2 0 238.375 1.628 20 0 BDADRP CC[C@H]1CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662252875 412048961 /nfs/dbraw/zinc/04/89/61/412048961.db2.gz QTIWYRXRCXMLDM-STQMWFEESA-N 2 0 238.375 1.629 20 0 BDADRP CC(C)C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662251528 412049282 /nfs/dbraw/zinc/04/92/82/412049282.db2.gz GMOIABHHBWRFQQ-CYBMUJFWSA-N 2 0 238.375 1.628 20 0 BDADRP CC[C@@H]1C[C@H](C)C[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662256602 412051557 /nfs/dbraw/zinc/05/15/57/412051557.db2.gz WSXCCYYUKDPVSW-XQQFMLRXSA-N 2 0 238.375 1.628 20 0 BDADRP CC[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CCS1 ZINC000133057472 171082817 /nfs/dbraw/zinc/08/28/17/171082817.db2.gz QMGOANQNZWKVHO-NWDGAFQWSA-N 2 0 228.405 1.813 20 0 BDADRP CC[C@@H]1CC[C@H](C)[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662279837 412071680 /nfs/dbraw/zinc/07/16/80/412071680.db2.gz MEYDOFZTHBUCHI-YNEHKIRRSA-N 2 0 238.375 1.770 20 0 BDADRP C([C@@H]1C[C@H]2C[C@H]2C1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000662275396 412067435 /nfs/dbraw/zinc/06/74/35/412067435.db2.gz BVYDHYLYLPSQBB-XGUBFFRZSA-N 2 0 249.402 1.012 20 0 BDADRP C[N@@H+](Cc1cccnc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662278177 412071154 /nfs/dbraw/zinc/07/11/54/412071154.db2.gz XHODWEMRBVKLLT-ZDUSSCGKSA-N 2 0 247.342 1.034 20 0 BDADRP CO[C@@H](C[NH+]1CCC(CC[NH3+])CC1)C1CCC1 ZINC000662282946 412075706 /nfs/dbraw/zinc/07/57/06/412075706.db2.gz FDWYNMMGLLOJNJ-AWEZNQCLSA-N 2 0 240.391 1.862 20 0 BDADRP CC[C@H](C)C[NH2+]CCCN1CC[NH+](C)CC1 ZINC000020128528 171284515 /nfs/dbraw/zinc/28/45/15/171284515.db2.gz UHGZAUHIUUSNFK-ZDUSSCGKSA-N 2 0 227.396 1.260 20 0 BDADRP Cc1ccc2c(c1)C[N@@H+](CCOCC[NH3+])CC2 ZINC000662298271 412083455 /nfs/dbraw/zinc/08/34/55/412083455.db2.gz AYAXBLNXRIPAQL-UHFFFAOYSA-N 2 0 234.343 1.328 20 0 BDADRP CC[C@H](C)N(C)CC[NH2+][C@H](C)CCCC[NH3+] ZINC000336681279 171308499 /nfs/dbraw/zinc/30/84/99/171308499.db2.gz YBFXXNCMRKOWLV-OLZOCXBDSA-N 2 0 229.412 1.824 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@H]1C[NH+](C)C[C@@H]1C ZINC000336732935 171308737 /nfs/dbraw/zinc/30/87/37/171308737.db2.gz JSNVWNHWHNHHKQ-AVGNSLFASA-N 2 0 227.396 1.256 20 0 BDADRP CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)CCCC[NH3+] ZINC000336707457 171322713 /nfs/dbraw/zinc/32/27/13/171322713.db2.gz LTVKCSGGOMSIBU-RYUDHWBXSA-N 2 0 243.395 1.398 20 0 BDADRP COCCC[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662293311 412081435 /nfs/dbraw/zinc/08/14/35/412081435.db2.gz QJNSUCKEONUBKF-AWEZNQCLSA-N 2 0 240.391 1.735 20 0 BDADRP C[NH2+]CCC[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662293422 412081499 /nfs/dbraw/zinc/08/14/99/412081499.db2.gz RZTRRJWAJABDDY-CQSZACIVSA-N 3 0 239.407 1.308 20 0 BDADRP C[C@H](CO)[C@H]1CCCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000662300955 412086464 /nfs/dbraw/zinc/08/64/64/412086464.db2.gz NVYYFJVLHNNLAM-FRRDWIJNSA-N 2 0 226.364 1.079 20 0 BDADRP OCC[C@H]1CCCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000662299430 412087624 /nfs/dbraw/zinc/08/76/24/412087624.db2.gz PNVFHRKASWUYNT-ZIAGYGMSSA-N 2 0 240.391 1.613 20 0 BDADRP [NH3+]C[C@H]1CCc2ccccc2N1C[C@@H]1CC[NH2+]C1 ZINC000662304473 412088344 /nfs/dbraw/zinc/08/83/44/412088344.db2.gz JRPIYBFIZICALF-TZMCWYRMSA-N 2 0 245.370 1.376 20 0 BDADRP C[C@H]([NH3+])CN1C[C@@H]([NH3+])CCc2ccccc21 ZINC000662302806 412089189 /nfs/dbraw/zinc/08/91/89/412089189.db2.gz PESSPCULUHNXDN-JQWIXIFHSA-N 2 0 219.332 1.114 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCCC[C@H]1[C@@H](C)CO ZINC000662302130 412089202 /nfs/dbraw/zinc/08/92/02/412089202.db2.gz XDLLNMGCYXPBHG-RYUDHWBXSA-N 2 0 214.353 1.079 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC000662306626 412091712 /nfs/dbraw/zinc/09/17/12/412091712.db2.gz RINLTXXYPITIAG-AWEZNQCLSA-N 2 0 240.391 1.864 20 0 BDADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@H](CCF)C1 ZINC000662311474 412094523 /nfs/dbraw/zinc/09/45/23/412094523.db2.gz SMMSYMSJMQZJDH-VXGBXAGGSA-N 2 0 232.343 1.028 20 0 BDADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000662311471 412094713 /nfs/dbraw/zinc/09/47/13/412094713.db2.gz SMMSYMSJMQZJDH-NWDGAFQWSA-N 2 0 232.343 1.028 20 0 BDADRP C(C[N@@H+]1CC[C@@]2(C1)CCCOC2)[C@H]1CC[NH2+]C1 ZINC000662315960 412095510 /nfs/dbraw/zinc/09/55/10/412095510.db2.gz RJFVQDHLFUJZJK-ZIAGYGMSSA-N 2 0 238.375 1.489 20 0 BDADRP C(C[N@@H+]1CC[C@@]2(C1)CCCOC2)[C@@H]1CC[NH2+]C1 ZINC000662315959 412095727 /nfs/dbraw/zinc/09/57/27/412095727.db2.gz RJFVQDHLFUJZJK-UONOGXRCSA-N 2 0 238.375 1.489 20 0 BDADRP C[NH2+]CCC[N@@H+]1CC[C@H](N(C)c2ccccc2)C1 ZINC000662317433 412098357 /nfs/dbraw/zinc/09/83/57/412098357.db2.gz PGLLJQFFEZQXPA-HNNXBMFYSA-N 2 0 247.386 1.807 20 0 BDADRP C[NH2+]CCC[N@@H+]1CC[C@@H](N(C)c2ccccc2)C1 ZINC000662317434 412098413 /nfs/dbraw/zinc/09/84/13/412098413.db2.gz PGLLJQFFEZQXPA-OAHLLOKOSA-N 2 0 247.386 1.807 20 0 BDADRP c1cc(C2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)no1 ZINC000662318162 412098781 /nfs/dbraw/zinc/09/87/81/412098781.db2.gz WPTMKTKCTDIKTH-LBPRGKRZSA-N 2 0 249.358 1.854 20 0 BDADRP CCC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321094 412100543 /nfs/dbraw/zinc/10/05/43/412100543.db2.gz GTLOYVMQEUVINA-LBPRGKRZSA-N 2 0 214.353 1.439 20 0 BDADRP CC[C@@H](C)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321247 412100861 /nfs/dbraw/zinc/10/08/61/412100861.db2.gz ABDOHHFZIOJOOE-CHWSQXEVSA-N 2 0 228.380 1.828 20 0 BDADRP C[NH+](C)CCC[C@@H]1C[N@@H+](C2CCCC2)CCO1 ZINC000662324677 412103451 /nfs/dbraw/zinc/10/34/51/412103451.db2.gz ALTHIXXVGOSCDV-CQSZACIVSA-N 2 0 240.391 1.972 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000309019330 171426047 /nfs/dbraw/zinc/42/60/47/171426047.db2.gz SUGFSHNBUYWSQA-NWDGAFQWSA-N 2 0 216.369 1.502 20 0 BDADRP CC[C@H](CSC)[NH2+][C@@H](C)CCC[NH3+] ZINC000308198833 171467008 /nfs/dbraw/zinc/46/70/08/171467008.db2.gz OQKOFPHUVQCYNU-VHSXEESVSA-N 2 0 204.383 1.845 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C2CCC(C[NH3+])CC2)c2ncnn21 ZINC000665235907 412176172 /nfs/dbraw/zinc/17/61/72/412176172.db2.gz CCNSCEVCVDNHIR-YYJSSNLHSA-N 2 0 249.362 1.391 20 0 BDADRP Cc1ccncc1CC[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000665238768 412177890 /nfs/dbraw/zinc/17/78/90/412177890.db2.gz DAXDBSVDUJGMQZ-RYUDHWBXSA-N 2 0 221.348 1.648 20 0 BDADRP CO[C@@H](C)C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000665244183 412187143 /nfs/dbraw/zinc/18/71/43/412187143.db2.gz IAHRMIUQCXLUEJ-RWMBFGLXSA-N 2 0 228.380 1.922 20 0 BDADRP CO[C@@H](C)C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000665244182 412187543 /nfs/dbraw/zinc/18/75/43/412187543.db2.gz IAHRMIUQCXLUEJ-FRRDWIJNSA-N 2 0 228.380 1.922 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)C1C[NH2+]C1 ZINC000665273688 412214894 /nfs/dbraw/zinc/21/48/94/412214894.db2.gz BQVFXCIEMHJLBE-APPZFPTMSA-N 2 0 218.291 1.475 20 0 BDADRP [NH3+][C@@H]1C[C@@H](NCC2([NH3+])CCCC2)c2ccccc21 ZINC000665246709 412190804 /nfs/dbraw/zinc/19/08/04/412190804.db2.gz LZLXIZMPUIGIBJ-ZIAGYGMSSA-N 2 0 245.370 1.992 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]CC2([NH3+])CCCC2)C1 ZINC000665247133 412192221 /nfs/dbraw/zinc/19/22/21/412192221.db2.gz WILIHMRVUDVUPX-NWDGAFQWSA-N 2 0 226.364 1.805 20 0 BDADRP CC1(C)[C@H](C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1(F)F ZINC000665273725 412214959 /nfs/dbraw/zinc/21/49/59/412214959.db2.gz CIWHBNXUOWHSDZ-BBBLOLIVSA-N 2 0 232.318 1.995 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000665263117 412205047 /nfs/dbraw/zinc/20/50/47/412205047.db2.gz GKAUFSQTZZXDMS-RFGFWPKPSA-N 2 0 240.391 1.766 20 0 BDADRP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[NH3+])O1 ZINC000665264982 412206813 /nfs/dbraw/zinc/20/68/13/412206813.db2.gz NHMFRTXCAOGWBH-WISYIIOYSA-N 2 0 212.337 1.413 20 0 BDADRP CC[C@H](NCC1([NH3+])CCC1)[C@H]1CCCC[NH2+]1 ZINC000332487463 171517798 /nfs/dbraw/zinc/51/77/98/171517798.db2.gz RUIAOROZUNEGHS-NWDGAFQWSA-N 2 0 225.380 1.378 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000665272524 412213172 /nfs/dbraw/zinc/21/31/72/412213172.db2.gz GWTNOZQQUFLXRP-MJBXVCDLSA-N 2 0 241.423 1.822 20 0 BDADRP CC[NH2+]Cc1cccc(NC(=O)CC2([NH3+])CC2)c1 ZINC000662399220 412147308 /nfs/dbraw/zinc/14/73/08/412147308.db2.gz PTWUBUDZGFDVBW-UHFFFAOYSA-N 2 0 247.342 1.616 20 0 BDADRP COC1([C@@H](C)[NH2+]CCCC[NH+](C)C)CCC1 ZINC000665218034 412154542 /nfs/dbraw/zinc/15/45/42/412154542.db2.gz IIELVADAPVWLSZ-GFCCVEGCSA-N 2 0 228.380 1.875 20 0 BDADRP CC[C@H]([NH2+]C)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000662419111 412160173 /nfs/dbraw/zinc/16/01/73/412160173.db2.gz WJDCVUYLWKGMFR-ZDUSSCGKSA-N 2 0 247.342 1.269 20 0 BDADRP COC1CC(CC[NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000665229806 412168952 /nfs/dbraw/zinc/16/89/52/412168952.db2.gz DAPVKHXWLIZELB-HIFPTAJRSA-N 2 0 228.380 1.909 20 0 BDADRP COC1CC(CC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000665230103 412168980 /nfs/dbraw/zinc/16/89/80/412168980.db2.gz JOMURBHTJVTBIL-WTIISPKJSA-N 2 0 226.364 1.532 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCc1noc2ccccc21 ZINC000665232143 412169851 /nfs/dbraw/zinc/16/98/51/412169851.db2.gz HBUYQIIPSOHHMB-DGCLKSJQSA-N 2 0 245.326 1.840 20 0 BDADRP C[C@H](N[C@H]1CC[N@@H+](C(C)(C)C)C1)[C@@H]1CCC[NH2+]1 ZINC000665235863 412174065 /nfs/dbraw/zinc/17/40/65/412174065.db2.gz BHNAJXZDMXYBRG-AVGNSLFASA-N 2 0 239.407 1.589 20 0 BDADRP Cc1cncc(CC[NH2+][C@H]2CC[NH2+]CC[C@H]2C)n1 ZINC000665274486 412217914 /nfs/dbraw/zinc/21/79/14/412217914.db2.gz QYULAMWOQGFMAU-RISCZKNCSA-N 2 0 248.374 1.305 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CCOC[C@H]1C ZINC000665282167 412227504 /nfs/dbraw/zinc/22/75/04/412227504.db2.gz SCABOLDPWVCIBK-UTUOFQBUSA-N 2 0 214.353 1.374 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000665282409 412227614 /nfs/dbraw/zinc/22/76/14/412227614.db2.gz XPEONEGTZDPBAC-WRWGMCAJSA-N 2 0 214.353 1.515 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1cn[nH]c1 ZINC000665282393 412227748 /nfs/dbraw/zinc/22/77/48/412227748.db2.gz XGHRCKBYWSFOMH-MWLCHTKSSA-N 2 0 210.325 1.434 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]CC[C@@H]([NH3+])C(C)C)C1 ZINC000665282264 412227935 /nfs/dbraw/zinc/22/79/35/412227935.db2.gz UNJVIBZUDYWCHS-YNEHKIRRSA-N 2 0 228.380 1.907 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCCc1ccco1 ZINC000665284018 412229384 /nfs/dbraw/zinc/22/93/84/412229384.db2.gz YVYXYQUUURVWCJ-NEPJUHHUSA-N 2 0 208.305 1.682 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(CO)cc2)C1 ZINC000133060968 412393421 /nfs/dbraw/zinc/39/34/21/412393421.db2.gz HHOFNVDEZHJKOO-HNNXBMFYSA-N 2 0 248.370 1.610 20 0 BDADRP C[NH+](C)CCCC[NH2+]Cc1ccc(CO)cc1 ZINC000133067151 412395765 /nfs/dbraw/zinc/39/57/65/412395765.db2.gz WMFGTGMHXYWEHN-UHFFFAOYSA-N 2 0 236.359 1.610 20 0 BDADRP CCn1cc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cn1 ZINC000070074162 172164105 /nfs/dbraw/zinc/16/41/05/172164105.db2.gz ISYBCTYWKMLHBK-LBPRGKRZSA-N 2 0 236.363 1.464 20 0 BDADRP C[NH+](C)CC[C@@H](NC(=O)CCC[NH3+])C(C)(C)C ZINC000236982372 172476805 /nfs/dbraw/zinc/47/68/05/172476805.db2.gz HLJSOTYXDUZNDC-LLVKDONJSA-N 2 0 243.395 1.208 20 0 BDADRP C[NH+](C)C[C@](C)(O)C[NH2+]C1CCCCC1 ZINC000125896240 172498695 /nfs/dbraw/zinc/49/86/95/172498695.db2.gz UOCILVHPIQRBOC-GFCCVEGCSA-N 2 0 214.353 1.221 20 0 BDADRP C[N@H+](C[C@@H]1CC12CC[NH+](CCO)CC2)C1CC1 ZINC000374312854 172806871 /nfs/dbraw/zinc/80/68/71/172806871.db2.gz SLGNKQROKGNCCU-LBPRGKRZSA-N 2 0 238.375 1.175 20 0 BDADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1C[C@@H](O)C(C)(C)C1 ZINC000335310119 173008172 /nfs/dbraw/zinc/00/81/72/173008172.db2.gz DXRDAUSNKVIDHJ-QWHCGFSZSA-N 2 0 240.391 1.564 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCOC(C)(C)C1 ZINC000372424974 173026716 /nfs/dbraw/zinc/02/67/16/173026716.db2.gz IYQMSQOPQSNNLB-CYBMUJFWSA-N 2 0 240.391 1.972 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H](CO)C1CCCC1 ZINC000352708738 173029183 /nfs/dbraw/zinc/02/91/83/173029183.db2.gz XMQJFLYWTSQJGR-ZIAGYGMSSA-N 2 0 240.391 1.611 20 0 BDADRP C[N@H+](CCc1cccnc1)C[C@H]1CCC[NH+](C)C1 ZINC000355732450 173042173 /nfs/dbraw/zinc/04/21/73/173042173.db2.gz JWMKAYVASKXIAG-HNNXBMFYSA-N 2 0 247.386 1.898 20 0 BDADRP CN1CCC[C@H]([N@H+](C)C2CCC([NH3+])CC2)C1 ZINC000055144693 173045044 /nfs/dbraw/zinc/04/50/44/173045044.db2.gz YZIHUXUCZQFDPA-BPCQOVAHSA-N 2 0 225.380 1.282 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@H](n2cccn2)C1 ZINC000361590993 173052400 /nfs/dbraw/zinc/05/24/00/173052400.db2.gz WZFICYAFDFFQHX-KBPBESRZSA-N 2 0 248.374 1.614 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@H]2OCC[C@H]2C1 ZINC000366741721 173053179 /nfs/dbraw/zinc/05/31/79/173053179.db2.gz BVPULASDQNMABF-MELADBBJSA-N 2 0 238.375 1.582 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H](CO)C1CCCC1 ZINC000352708733 173054766 /nfs/dbraw/zinc/05/47/66/173054766.db2.gz XMQJFLYWTSQJGR-KBPBESRZSA-N 2 0 240.391 1.611 20 0 BDADRP CN1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)CC1(C)C ZINC000104144253 173082123 /nfs/dbraw/zinc/08/21/23/173082123.db2.gz JZGBPOKQOGADIB-ZDUSSCGKSA-N 2 0 239.407 1.402 20 0 BDADRP C[N@@H+]1CC[C@@H](C[NH2+]C2Cc3ccccc3C2)C1 ZINC000037646637 173116184 /nfs/dbraw/zinc/11/61/84/173116184.db2.gz FXWHALFHOBFVHJ-LBPRGKRZSA-N 2 0 230.355 1.695 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CCCF)[C@@H]2CCC[C@@H]21 ZINC000308909992 173153296 /nfs/dbraw/zinc/15/32/96/173153296.db2.gz DMGXKJKLFMDVGG-SRVKXCTJSA-N 2 0 214.328 1.808 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CC2(C)COC2)[C@H]2CCC[C@@H]21 ZINC000368617009 173153379 /nfs/dbraw/zinc/15/33/79/173153379.db2.gz VUAVEKQNAIITDW-AGIUHOORSA-N 2 0 238.375 1.485 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCOC2)[C@@H]2CCC[C@@H]21 ZINC000367884932 173155152 /nfs/dbraw/zinc/15/51/52/173155152.db2.gz IXZCQJASWFEMET-XUXIUFHCSA-N 2 0 238.375 1.628 20 0 BDADRP C[N@H+]1C[C@@H]2C[NH+](C[C@@H]3Cc4ccccc43)C[C@@H]2C1 ZINC000376503381 173197346 /nfs/dbraw/zinc/19/73/46/173197346.db2.gz AFBOTHSWZGJCCO-SOUVJXGZSA-N 2 0 242.366 1.820 20 0 BDADRP C[NH2+]C1CC[NH+](CCCCOC)CC1 ZINC000044659164 173322913 /nfs/dbraw/zinc/32/29/13/173322913.db2.gz KBNYHPWCZSIDKI-UHFFFAOYSA-N 2 0 200.326 1.097 20 0 BDADRP C[NH2+]C1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000234345819 173322977 /nfs/dbraw/zinc/32/29/77/173322977.db2.gz VZCFDYIBRYTTNI-NSHDSACASA-N 2 0 212.337 1.097 20 0 BDADRP C[NH2+]CCC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000357220918 173341188 /nfs/dbraw/zinc/34/11/88/173341188.db2.gz AKSRQMIXUWDVET-LLVKDONJSA-N 2 0 243.395 1.079 20 0 BDADRP C[NH2+]CCN(C)C(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000131770543 173352052 /nfs/dbraw/zinc/35/20/52/173352052.db2.gz MEZFOOJVSSWFJT-WCQYABFASA-N 2 0 249.358 1.000 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)CCOC)C1 ZINC000045044518 173378423 /nfs/dbraw/zinc/37/84/23/173378423.db2.gz VCAIRZKDYJJCIL-NWDGAFQWSA-N 2 0 214.353 1.343 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@H+](CCc2cccnc2)C1 ZINC000063223644 173379333 /nfs/dbraw/zinc/37/93/33/173379333.db2.gz CHYOWCRMVUBPAZ-CQSZACIVSA-N 2 0 233.359 1.556 20 0 BDADRP C[NH2+]C[C@H]1CCCN1CCc1ccccc1 ZINC000019933355 173379918 /nfs/dbraw/zinc/37/99/18/173379918.db2.gz IRGGPLMTTHLKEK-CQSZACIVSA-N 2 0 218.344 1.913 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](CCCc2ccc(C)nc2)C1 ZINC000339407486 173380637 /nfs/dbraw/zinc/38/06/37/173380637.db2.gz NSBPLDDFUHUKHG-OAHLLOKOSA-N 2 0 247.386 1.864 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](CCc2cccnc2)C1 ZINC000053031391 173381521 /nfs/dbraw/zinc/38/15/21/173381521.db2.gz XFYCRZGEJMAWSQ-CYBMUJFWSA-N 2 0 219.332 1.165 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](C[C@@H]2CCSC2)C1 ZINC000224611833 173381776 /nfs/dbraw/zinc/38/17/76/173381776.db2.gz JBOATPLUCWCLGO-MNOVXSKESA-N 2 0 214.378 1.281 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](Cc2nc(C)ccc2O)C1 ZINC000091996108 173382166 /nfs/dbraw/zinc/38/21/66/173382166.db2.gz IDDNRCBVDNWPGC-LLVKDONJSA-N 2 0 235.331 1.137 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000237227226 173389438 /nfs/dbraw/zinc/38/94/38/173389438.db2.gz NVWVNXGTQSYABO-LBPRGKRZSA-N 2 0 233.315 1.097 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)C[N@H+](C)C(C)C)c1 ZINC000237106597 173389743 /nfs/dbraw/zinc/38/97/43/173389743.db2.gz VPUDAOYGGNNRCZ-UHFFFAOYSA-N 2 0 249.358 1.685 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)[C@@H]([NH3+])C(C)C)c1 ZINC000237107523 173389805 /nfs/dbraw/zinc/38/98/05/173389805.db2.gz RIYVKCPWBRXNHP-LBPRGKRZSA-N 2 0 235.331 1.328 20 0 BDADRP COCC(C)(C)C[NH2+]C[C@H](C)C[NH+](C)C ZINC000308965974 174072711 /nfs/dbraw/zinc/07/27/11/174072711.db2.gz VPZOQBILRWNGLN-NSHDSACASA-N 2 0 216.369 1.446 20 0 BDADRP COCCC(C)(C)C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000234691952 174143869 /nfs/dbraw/zinc/14/38/69/174143869.db2.gz CLANIFQQQCRZFA-RYUDHWBXSA-N 2 0 228.380 1.766 20 0 BDADRP COCCC(C)(C)C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000234684268 174144580 /nfs/dbraw/zinc/14/45/80/174144580.db2.gz CLANIFQQQCRZFA-NWDGAFQWSA-N 2 0 228.380 1.766 20 0 BDADRP COCCCCC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000122699860 174184088 /nfs/dbraw/zinc/18/40/88/174184088.db2.gz FKIYHWQJFINXCH-STQMWFEESA-N 2 0 228.380 1.733 20 0 BDADRP COCCCCC[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000300844971 174184746 /nfs/dbraw/zinc/18/47/46/174184746.db2.gz MVDDPBKEIVFNLG-GFCCVEGCSA-N 2 0 228.380 1.781 20 0 BDADRP COCCCC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357084932 174190524 /nfs/dbraw/zinc/19/05/24/174190524.db2.gz KHJZGWUVKUWJSW-AWEZNQCLSA-N 2 0 240.391 1.735 20 0 BDADRP COCCCC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000368318366 174193848 /nfs/dbraw/zinc/19/38/48/174193848.db2.gz RMERTSDLHACKRZ-ZDUSSCGKSA-N 2 0 226.364 1.441 20 0 BDADRP COCCC[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000082645401 174231379 /nfs/dbraw/zinc/23/13/79/174231379.db2.gz PDWIDPNMDMEYEO-MNOVXSKESA-N 2 0 200.326 1.082 20 0 BDADRP COCCC[N@@H+]1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000361109564 174232758 /nfs/dbraw/zinc/23/27/58/174232758.db2.gz TZBJWMQAPYHAAA-RYUDHWBXSA-N 2 0 212.337 1.049 20 0 BDADRP COCC[N@H+](CC1CC[NH2+]CC1)C1CC1 ZINC000042519626 174289234 /nfs/dbraw/zinc/28/92/34/174289234.db2.gz RIFWMVALRPFTTN-UHFFFAOYSA-N 2 0 212.337 1.097 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCN1C ZINC000337516180 174396535 /nfs/dbraw/zinc/39/65/35/174396535.db2.gz LZQZTLQHENGRMN-MJBXVCDLSA-N 2 0 240.391 1.875 20 0 BDADRP COC[C@@H]([NH2+][C@@H](C)CCC[NH3+])C(C)C ZINC000336688945 174486964 /nfs/dbraw/zinc/48/69/64/174486964.db2.gz NXYKAXWBQGAGET-WDEREUQCSA-N 2 0 202.342 1.374 20 0 BDADRP COc1ccc(C)cc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000050247959 175074737 /nfs/dbraw/zinc/07/47/37/175074737.db2.gz HOVLOORNIWJZGY-LBPRGKRZSA-N 2 0 234.343 1.784 20 0 BDADRP COc1ccc(C2(C[NH3+])CC[NH2+]CC2)cc1 ZINC000071522613 175084305 /nfs/dbraw/zinc/08/43/05/175084305.db2.gz ZTRSIVURFUMXFY-UHFFFAOYSA-N 2 0 220.316 1.275 20 0 BDADRP COc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH3+])cc1 ZINC000336666086 175176930 /nfs/dbraw/zinc/17/69/30/175176930.db2.gz LNSXJPADLLOVNN-WDEREUQCSA-N 2 0 222.332 1.941 20 0 BDADRP COc1cccc([C@H](C)[NH2+]CCC[NH3+])c1 ZINC000037713233 175293655 /nfs/dbraw/zinc/29/36/55/175293655.db2.gz KRGSERPBJSBPSZ-JTQLQIEISA-N 2 0 208.305 1.695 20 0 BDADRP CSC[C@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000336645853 175525157 /nfs/dbraw/zinc/52/51/57/175525157.db2.gz ZWZVWSMSQFESBG-ZJUUUORDSA-N 2 0 204.383 1.845 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@H](CO)c1ccccc1 ZINC000336732404 175664639 /nfs/dbraw/zinc/66/46/39/175664639.db2.gz ZKYGCFIABWVKFY-GXTWGEPZSA-N 2 0 236.359 1.827 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@H](CO)Cc1ccccc1 ZINC000310166607 175666186 /nfs/dbraw/zinc/66/61/86/175666186.db2.gz RYHOURTXXYBSPX-JSGCOSHPSA-N 2 0 236.359 1.307 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc2c(c1)OCO2 ZINC000336732018 175666304 /nfs/dbraw/zinc/66/63/04/175666304.db2.gz ZDMIMAJVZXQBSU-JTQLQIEISA-N 2 0 236.315 1.632 20 0 BDADRP C[C@@H]([NH2+]CCC[NH+](C)C)[C@@H]1CCCOC1 ZINC000309088230 175875451 /nfs/dbraw/zinc/87/54/51/175875451.db2.gz AFPNEIYTBQNUKE-VXGBXAGGSA-N 2 0 214.353 1.343 20 0 BDADRP C[C@@H]1CCC[N@H+](CCC2CC[NH2+]CC2)[C@@H]1CN ZINC000359209689 176098189 /nfs/dbraw/zinc/09/81/89/176098189.db2.gz DFIYGYWQIBNRAC-TZMCWYRMSA-N 2 0 239.407 1.435 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)C[C@H]1O ZINC000305759220 176169878 /nfs/dbraw/zinc/16/98/78/176169878.db2.gz HXJOSSJQEBXCHT-FRRDWIJNSA-N 2 0 226.364 1.173 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2CCSC2)C[C@@H]1C[NH3+] ZINC000224623496 176172420 /nfs/dbraw/zinc/17/24/20/176172420.db2.gz PDHGBUKNOZAVBG-WOPDTQHZSA-N 2 0 228.405 1.656 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000333348170 176185257 /nfs/dbraw/zinc/18/52/57/176185257.db2.gz ZSTGRBNPLJMOMB-LPWJVIDDSA-N 3 0 225.380 1.234 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C1CCSCC1 ZINC000335160052 176185329 /nfs/dbraw/zinc/18/53/29/176185329.db2.gz ZFHFNWOBLVXPBY-ZYHUDNBSSA-N 2 0 228.405 1.860 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000336678283 176269314 /nfs/dbraw/zinc/26/93/14/176269314.db2.gz BPKKZIWCBDMJJN-VOAKCMCISA-N 2 0 226.364 1.077 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000358412119 176274076 /nfs/dbraw/zinc/27/40/76/176274076.db2.gz XZKSRGJISUASFM-RFGFWPKPSA-N 2 0 237.391 1.153 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@](C)(O)C1CC1 ZINC000336701915 176279254 /nfs/dbraw/zinc/27/92/54/176279254.db2.gz JZKNVSOCQZQXLF-RFHZTLPTSA-N 2 0 240.391 1.466 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)C[C@@H]1O ZINC000351796630 176292891 /nfs/dbraw/zinc/29/28/91/176292891.db2.gz XTCZTOKQNDFKMQ-AGIUHOORSA-N 2 0 226.364 1.173 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cccc3c[nH]nc32)CC[C@H]1[NH3+] ZINC000336537848 176306501 /nfs/dbraw/zinc/30/65/01/176306501.db2.gz QBRLYTHPSHBMBV-ZWNOBZJWSA-N 2 0 244.342 1.732 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000300802242 176340676 /nfs/dbraw/zinc/34/06/76/176340676.db2.gz FDQYRRBLTWYDSI-NEPJUHHUSA-N 2 0 214.353 1.343 20 0 BDADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H]1CCOC[C@H]1C ZINC000354499072 176341922 /nfs/dbraw/zinc/34/19/22/176341922.db2.gz KKALYLGEXXRTDV-RFHZTLPTSA-N 2 0 238.375 1.484 20 0 BDADRP C[C@@H]1[C@@H]([NH2+][C@H]2CCOC[C@H]2C)CCCN1C ZINC000309768865 176342203 /nfs/dbraw/zinc/34/22/03/176342203.db2.gz KBYQSQRAIQWYPB-NDBYEHHHSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@@H]1CSC[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000335587796 176355179 /nfs/dbraw/zinc/35/51/79/176355179.db2.gz YAXHCJKRCBKYCH-ZYHUDNBSSA-N 2 0 228.405 1.669 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccncc1 ZINC000126713966 176367515 /nfs/dbraw/zinc/36/75/15/176367515.db2.gz AWEFBCCWZRHCNQ-PWSUYJOCSA-N 2 0 205.305 1.251 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+]C[C@@H]2CCCO2)CC[NH2+]1 ZINC000235389273 176370342 /nfs/dbraw/zinc/37/03/42/176370342.db2.gz USODSFRUTGQRPT-WOPDTQHZSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CCCOC2)CCN1C ZINC000336712931 176372090 /nfs/dbraw/zinc/37/20/90/176372090.db2.gz RZXTUEWKHMFVSG-RDBSUJKOSA-N 2 0 240.391 1.828 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000121008261 176473065 /nfs/dbraw/zinc/47/30/65/176473065.db2.gz VPEPSUIYJHPMTF-JQWIXIFHSA-N 2 0 212.337 1.095 20 0 BDADRP C[C@H](O)[C@H]1CCCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000336679940 177014962 /nfs/dbraw/zinc/01/49/62/177014962.db2.gz CHYPEJYCABLDJB-BFHYXJOUSA-N 2 0 240.391 1.706 20 0 BDADRP C[C@@H]1[C@@H](C)CCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000050564927 177098315 /nfs/dbraw/zinc/09/83/15/177098315.db2.gz WYTNEESEYFHTRX-QWHCGFSZSA-N 2 0 225.380 1.012 20 0 BDADRP COCC[C@@H](C)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000082474755 487636979 /nfs/dbraw/zinc/63/69/79/487636979.db2.gz WGVFBILVOZMJPF-MNOVXSKESA-N 2 0 214.353 1.471 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCOCC(F)F ZINC000309816609 177233859 /nfs/dbraw/zinc/23/38/59/177233859.db2.gz VJORELOFYKOHML-VHSXEESVSA-N 2 0 236.306 1.198 20 0 BDADRP C[C@H]1C[N@H+](CCCCCCC[NH3+])CCO1 ZINC000020072103 177247624 /nfs/dbraw/zinc/24/76/24/177247624.db2.gz LIKYVPSLDLFRKA-LBPRGKRZSA-N 2 0 214.353 1.616 20 0 BDADRP C[C@H]1C[N@H+](CCOCC2CC2)CC[C@@H]1[NH3+] ZINC000226422265 177253165 /nfs/dbraw/zinc/25/31/65/177253165.db2.gz RWINLFFEMSWNCZ-JQWIXIFHSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@H]1C[N@H+](Cc2cccc3c[nH]nc32)CC[C@H]1[NH3+] ZINC000336537842 177265448 /nfs/dbraw/zinc/26/54/48/177265448.db2.gz QBRLYTHPSHBMBV-GXFFZTMASA-N 2 0 244.342 1.732 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)[C@@H](C)CO1 ZINC000227638163 177302374 /nfs/dbraw/zinc/30/23/74/177302374.db2.gz FBMCHMWCWZBNHS-TUAOUCFPSA-N 2 0 212.337 1.095 20 0 BDADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCC(F)(F)F ZINC000123536384 177324046 /nfs/dbraw/zinc/32/40/46/177324046.db2.gz GSMBCXBVANFBCU-YUMQZZPRSA-N 2 0 210.243 1.608 20 0 BDADRP C[C@H]1C[C@@H](CN(C)CC(F)F)CC[NH2+]1 ZINC000235657686 177324177 /nfs/dbraw/zinc/32/41/77/177324177.db2.gz VOLCQVVXEGPOPV-IUCAKERBSA-N 2 0 206.280 1.571 20 0 BDADRP C[C@H]1C[C@@H](C[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC[NH2+]1 ZINC000300055661 177325162 /nfs/dbraw/zinc/32/51/62/177325162.db2.gz JMGJTQBPYGUTDS-ZDEQEGDKSA-N 2 0 224.348 1.238 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCn1cccn1 ZINC000042539473 177332085 /nfs/dbraw/zinc/33/20/85/177332085.db2.gz VCHCBWVGOFMDHZ-FRRDWIJNSA-N 2 0 236.363 1.201 20 0 BDADRP C[C@H](CC[NH+](C)C)N[C@@H]1C[C@H](C)n2ccnc21 ZINC000345361926 177333056 /nfs/dbraw/zinc/33/30/56/177333056.db2.gz UWIGJPGBLDALAP-GRYCIOLGSA-N 2 0 236.363 1.819 20 0 BDADRP C[C@H]1C[C@@H]1C[NH2+]CCC1CC[NH+](C)CC1 ZINC000308848159 177344939 /nfs/dbraw/zinc/34/49/39/177344939.db2.gz NBHYKRILXJVPJC-WCQYABFASA-N 2 0 210.365 1.964 20 0 BDADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccc2c1NCC2 ZINC000336225313 177361211 /nfs/dbraw/zinc/36/12/11/177361211.db2.gz ICOAEKLRCQPGON-NWDGAFQWSA-N 2 0 245.370 1.824 20 0 BDADRP C[C@H]1C[C@H](C[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC[NH2+]1 ZINC000300055659 177362828 /nfs/dbraw/zinc/36/28/28/177362828.db2.gz JMGJTQBPYGUTDS-QNWHQSFQSA-N 2 0 224.348 1.238 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000082474957 487639117 /nfs/dbraw/zinc/63/91/17/487639117.db2.gz MEPYTLAKOFRHQH-YPMHNXCESA-N 2 0 226.364 1.615 20 0 BDADRP C[C@H](C[N@@H+]1CCCO[C@H](C[NH3+])C1)C(C)(C)C ZINC000313339234 487640604 /nfs/dbraw/zinc/64/06/04/487640604.db2.gz BWIOLBFBDXUMMN-VXGBXAGGSA-N 2 0 228.380 1.718 20 0 BDADRP C[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000400360916 225096842 /nfs/dbraw/zinc/09/68/42/225096842.db2.gz BWYITTKGILZKKP-OBJOEFQTSA-N 2 0 237.391 1.201 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000486932689 225273510 /nfs/dbraw/zinc/27/35/10/225273510.db2.gz HHKXHKQTALDFGJ-STQMWFEESA-N 2 0 242.407 1.979 20 0 BDADRP C[C@H]1C[C@@H]1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000488336779 225378136 /nfs/dbraw/zinc/37/81/36/225378136.db2.gz URVJDAQETAOLHC-WCQYABFASA-N 2 0 210.365 1.916 20 0 BDADRP C[C@@H](CCCC[NH3+])NC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000494669513 226267672 /nfs/dbraw/zinc/26/76/72/226267672.db2.gz BXVWVFWJSKLNPY-WCQYABFASA-N 2 0 241.379 1.010 20 0 BDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000495056735 226275095 /nfs/dbraw/zinc/27/50/95/226275095.db2.gz DJXJUMSJVPVNII-YIYPIFLZSA-N 2 0 239.407 1.256 20 0 BDADRP C[C@H]([NH2+][C@@H](CCO)C(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000400393493 226342769 /nfs/dbraw/zinc/34/27/69/226342769.db2.gz JKYRCPSOONRHEX-SRVKXCTJSA-N 2 0 228.380 1.514 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000400905042 226352178 /nfs/dbraw/zinc/35/21/78/226352178.db2.gz AGKBKJGHTWTPFO-FTYKPCCVSA-N 2 0 208.349 1.763 20 0 BDADRP [NH3+]CCCCC(=O)NCC1([NH3+])CCCCCC1 ZINC000557171277 322934864 /nfs/dbraw/zinc/93/48/64/322934864.db2.gz KPWIDCJYEQXXHA-UHFFFAOYSA-N 2 0 241.379 1.283 20 0 BDADRP C[NH2+]C[C@H]1CCCN(CC[NH2+]C(C)(C)C)C1 ZINC000414660611 487662131 /nfs/dbraw/zinc/66/21/31/487662131.db2.gz VNWDHNFKEWAOLU-GFCCVEGCSA-N 2 0 227.396 1.306 20 0 BDADRP CC(C)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000127888667 487665897 /nfs/dbraw/zinc/66/58/97/487665897.db2.gz KHMWVANWRBUCPE-UHFFFAOYSA-N 2 0 219.332 1.860 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CCCOC2)C[C@@H]1C[NH3+] ZINC000397312737 262748509 /nfs/dbraw/zinc/74/85/09/262748509.db2.gz PKKOKHACEFXEJF-RFGFWPKPSA-N 2 0 240.391 1.718 20 0 BDADRP NC(=[NH2+])NCCCCC[NH+]1CCCCC1 ZINC000304032048 229339619 /nfs/dbraw/zinc/33/96/19/229339619.db2.gz GMVNSOARWGLSKT-UHFFFAOYSA-N 2 0 212.341 1.126 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C)[C@@H]1C ZINC000383805624 487674678 /nfs/dbraw/zinc/67/46/78/487674678.db2.gz UJKFXEMXYMNACD-RDBSUJKOSA-N 2 0 242.407 1.808 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C)[C@H]1C ZINC000383805615 487674858 /nfs/dbraw/zinc/67/48/58/487674858.db2.gz UJKFXEMXYMNACD-MCIONIFRSA-N 2 0 242.407 1.808 20 0 BDADRP CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)CC1CCC1 ZINC000383844329 487677773 /nfs/dbraw/zinc/67/77/73/487677773.db2.gz ZWGXPSNATFBSNC-AWEZNQCLSA-N 2 0 242.407 1.810 20 0 BDADRP CC[C@@H]1C[N@H+](CCc2cn[nH]c2)CC[C@@H]1[NH3+] ZINC000393760408 487688792 /nfs/dbraw/zinc/68/87/92/487688792.db2.gz KVXFDTACKKDBGB-NEPJUHHUSA-N 2 0 222.336 1.011 20 0 BDADRP C[C@@H](CCCO)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000384394277 487712933 /nfs/dbraw/zinc/71/29/33/487712933.db2.gz SCNHRSYMXOWVAQ-STQMWFEESA-N 2 0 242.407 1.715 20 0 BDADRP COC(=O)[C@@H]1CCC[C@@H]([N@H+](C)C[C@@H](C)C[NH3+])C1 ZINC001172604056 974881663 /nfs/dbraw/zinc/88/16/63/974881663.db2.gz RLANPTHOCBWHRP-QJPTWQEYSA-N 2 0 242.363 1.245 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](CCOCc2ccccc2)C1 ZINC000309807855 487725083 /nfs/dbraw/zinc/72/50/83/487725083.db2.gz LUJKCQVXUFTMHW-OAHLLOKOSA-N 2 0 248.370 1.745 20 0 BDADRP CCO[C@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000250531322 487734132 /nfs/dbraw/zinc/73/41/32/487734132.db2.gz RWQOCXZRDPEDMP-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP CC(C)OCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250587845 487735593 /nfs/dbraw/zinc/73/55/93/487735593.db2.gz PBVWASQNAFCTCM-ZIAGYGMSSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@@H](O)C[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000233897643 487750969 /nfs/dbraw/zinc/75/09/69/487750969.db2.gz XWHIZTMYXDHHDU-CYBMUJFWSA-N 2 0 228.380 1.467 20 0 BDADRP CC[C@@H]1C[N@H+](CCCOC)CC[C@H]1[NH3+] ZINC000251522765 487752360 /nfs/dbraw/zinc/75/23/60/487752360.db2.gz AAOVAPLQARYOGN-GHMZBOCLSA-N 2 0 200.326 1.082 20 0 BDADRP CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000666177181 487777537 /nfs/dbraw/zinc/77/75/37/487777537.db2.gz FNWHPFKZMUOMJY-YUTCNCBUSA-N 2 0 240.391 1.874 20 0 BDADRP CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000675875591 487785276 /nfs/dbraw/zinc/78/52/76/487785276.db2.gz YVFCGOBXQZIEIB-IGQOVBAYSA-N 2 0 242.407 1.856 20 0 BDADRP C[C@H](c1ccncc1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000251858541 487803061 /nfs/dbraw/zinc/80/30/61/487803061.db2.gz SFBFZVGBKOIOMW-WZRBSPASSA-N 2 0 219.332 1.812 20 0 BDADRP C[NH2+]C1CC[NH+](C[C@@H]2CCO[C@H]2C)CC1 ZINC000234346092 487803799 /nfs/dbraw/zinc/80/37/99/487803799.db2.gz AEKWCKDOMFMDRR-QWRGUYRKSA-N 2 0 212.337 1.095 20 0 BDADRP [NH3+]CCC[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000414735616 487820431 /nfs/dbraw/zinc/82/04/31/487820431.db2.gz FWHVYGMQDGDRSA-LBPRGKRZSA-N 2 0 212.337 1.226 20 0 BDADRP CCC(CC)C[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000252684547 487829644 /nfs/dbraw/zinc/82/96/44/487829644.db2.gz GNXKKLAWUVXWDC-CMPLNLGQSA-N 2 0 214.353 1.471 20 0 BDADRP CCc1nn(C)cc1CN1CC[C@H]([NH3+])C[C@H]1C ZINC000252776617 487832223 /nfs/dbraw/zinc/83/22/23/487832223.db2.gz OIHZNXRVTPBZEE-PWSUYJOCSA-N 2 0 236.363 1.294 20 0 BDADRP C[C@H](c1ccncc1)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252783004 487833615 /nfs/dbraw/zinc/83/36/15/487833615.db2.gz SKNMXKYBBQULEA-LOWVWBTDSA-N 2 0 219.332 1.812 20 0 BDADRP Cc1ccc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cn1 ZINC000415030316 487833900 /nfs/dbraw/zinc/83/39/00/487833900.db2.gz FNYBDRBUCHIVJE-WCQYABFASA-N 2 0 219.332 1.607 20 0 BDADRP Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000414992263 487833644 /nfs/dbraw/zinc/83/36/44/487833644.db2.gz BOGPFZQYJZQRPG-TZMCWYRMSA-N 2 0 233.359 1.997 20 0 BDADRP CC(C)COCCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400487268 528094688 /nfs/dbraw/zinc/09/46/88/528094688.db2.gz XXHRFEXKAUVOJB-QWHCGFSZSA-N 2 0 228.380 1.779 20 0 BDADRP Cc1cccc(CC[NH2+][C@@H]2CCC[NH2+]CC2)n1 ZINC000415105152 487837914 /nfs/dbraw/zinc/83/79/14/487837914.db2.gz MDQGTAGFWNDZMM-CYBMUJFWSA-N 2 0 233.359 1.664 20 0 BDADRP COc1cccc(OCCC[NH2+]CCC[NH3+])c1 ZINC000415125639 487838241 /nfs/dbraw/zinc/83/82/41/487838241.db2.gz SJJLLUIIHADZPR-UHFFFAOYSA-N 2 0 238.331 1.403 20 0 BDADRP CC(C)[C@](C)(C[NH3+])[NH2+]CCOC(F)F ZINC000852741664 588698435 /nfs/dbraw/zinc/69/84/35/588698435.db2.gz YVUQTAMYJOOFEC-VIFPVBQESA-N 2 0 210.268 1.189 20 0 BDADRP CC[N@H+](C[C@@H]1CCOC1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000666623359 487847842 /nfs/dbraw/zinc/84/78/42/487847842.db2.gz OYTCHZAQXWIYOJ-MJBXVCDLSA-N 2 0 240.391 1.733 20 0 BDADRP CC[C@H]1C[C@@H](C[NH2+]CC2([NH3+])CC2)CCO1 ZINC000904448554 637412503 /nfs/dbraw/zinc/41/25/03/637412503.db2.gz BDYJQWGLOFCZHK-QWRGUYRKSA-N 2 0 212.337 1.273 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CCC[C@H](CCO)C1 ZINC000666638410 487849250 /nfs/dbraw/zinc/84/92/50/487849250.db2.gz LXZPYHRXDVZWRN-OLZOCXBDSA-N 2 0 228.380 1.454 20 0 BDADRP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000253091371 487849854 /nfs/dbraw/zinc/84/98/54/487849854.db2.gz FZPVMMZROJMQDS-VPOLOUISSA-N 2 0 212.337 1.005 20 0 BDADRP C[C@H]1C[C@H](C[N@H+](CCO)CC(C)(C)C)CC[NH2+]1 ZINC000666639246 487850014 /nfs/dbraw/zinc/85/00/14/487850014.db2.gz PNDQFFNPYSWVBI-QWHCGFSZSA-N 2 0 242.407 1.715 20 0 BDADRP C[C@H]([NH2+][C@H]1CO[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000401819944 487863807 /nfs/dbraw/zinc/86/38/07/487863807.db2.gz JJZBFULAUQWPRY-NTZNESFSSA-N 2 0 226.364 1.484 20 0 BDADRP CCSCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129059747 487875500 /nfs/dbraw/zinc/87/55/00/487875500.db2.gz MLGUESVIURUJTG-GHMZBOCLSA-N 2 0 216.394 1.812 20 0 BDADRP CC(C)C[C@H]([NH3+])CNC[C@H]1CCCC[NH2+]1 ZINC000666770476 487877080 /nfs/dbraw/zinc/87/70/80/487877080.db2.gz CLPLHKDYXIBDJC-NWDGAFQWSA-N 2 0 213.369 1.092 20 0 BDADRP CC(C)C[C@@H]([NH3+])CNC[C@@H]1CCCC[NH2+]1 ZINC000666770475 487877420 /nfs/dbraw/zinc/87/74/20/487877420.db2.gz CLPLHKDYXIBDJC-NEPJUHHUSA-N 2 0 213.369 1.092 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1Cc2ccccc21 ZINC000234789899 487878788 /nfs/dbraw/zinc/87/87/88/487878788.db2.gz PHLVKEUOXFDQEN-KBPBESRZSA-N 2 0 248.370 1.670 20 0 BDADRP CCOCC[N@H+](CC)CCC[NH2+]C1CC1 ZINC000082537053 643511763 /nfs/dbraw/zinc/51/17/63/643511763.db2.gz JBZLRAUEOXSNFJ-UHFFFAOYSA-N 2 0 214.353 1.487 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000234824856 487882148 /nfs/dbraw/zinc/88/21/48/487882148.db2.gz VOCLCZRKHPPTSV-IFWUJCSASA-N 2 0 226.364 1.804 20 0 BDADRP CO[C@H]1CCC[C@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000234822664 487881892 /nfs/dbraw/zinc/88/18/92/487881892.db2.gz VOCLCZRKHPPTSV-TYUFSLCMSA-N 2 0 226.364 1.804 20 0 BDADRP C[C@H](CN1CCN(C)C[C@H]1C[NH3+])C(C)(C)C ZINC000304319427 487886250 /nfs/dbraw/zinc/88/62/50/487886250.db2.gz RUIWZQFQILSUFU-VXGBXAGGSA-N 2 0 227.396 1.243 20 0 BDADRP Cc1ccc(O)c(C[NH2+][C@@H]2CCC[NH2+]CC2)n1 ZINC000666855334 487891051 /nfs/dbraw/zinc/89/10/51/487891051.db2.gz NAIMKAWMVQKWDW-LLVKDONJSA-N 2 0 235.331 1.327 20 0 BDADRP C[C@@H](CC1CCOCC1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666857661 487891835 /nfs/dbraw/zinc/89/18/35/487891835.db2.gz DIWULLMDQAJWAE-GXTWGEPZSA-N 2 0 240.391 1.923 20 0 BDADRP CCc1nn(C)cc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666954035 487891896 /nfs/dbraw/zinc/89/18/96/487891896.db2.gz OJATZJCLHLSWAB-ZDUSSCGKSA-N 2 0 248.374 1.214 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@H]1CCC[NH2+]CC1 ZINC000666859016 487893332 /nfs/dbraw/zinc/89/33/32/487893332.db2.gz VOPOUUFLXWVVKX-RYUDHWBXSA-N 2 0 213.369 1.092 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)[C@@H](C)C1 ZINC000248002935 487894200 /nfs/dbraw/zinc/89/42/00/487894200.db2.gz KNJSFKDHHQYPPF-MRTXSQPYSA-N 2 0 238.375 1.626 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666955345 487916688 /nfs/dbraw/zinc/91/66/88/487916688.db2.gz ATPBXLZAWSASMQ-NWDGAFQWSA-N 3 0 225.380 1.092 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995077 487921541 /nfs/dbraw/zinc/92/15/41/487921541.db2.gz CFXGZKQQPYSSNE-SRVKXCTJSA-N 2 0 224.348 1.428 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666993937 487923564 /nfs/dbraw/zinc/92/35/64/487923564.db2.gz UQMGBKHQZTVZQV-QWHCGFSZSA-N 2 0 239.407 1.624 20 0 BDADRP CC[C@@H](COC)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995319 487924718 /nfs/dbraw/zinc/92/47/18/487924718.db2.gz KBFDSPZHHDZQSL-RYUDHWBXSA-N 2 0 226.364 1.676 20 0 BDADRP CC(C)O[C@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000404662942 487930322 /nfs/dbraw/zinc/93/03/22/487930322.db2.gz XHHAILUZVBISLW-KGLIPLIRSA-N 2 0 240.391 1.875 20 0 BDADRP FC1(F)C[C@]12CC[N@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000652364400 487934055 /nfs/dbraw/zinc/93/40/55/487934055.db2.gz MUIURQIFUCKPNC-MNOVXSKESA-N 2 0 230.302 1.717 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000564973678 322985288 /nfs/dbraw/zinc/98/52/88/322985288.db2.gz ODTRRLXYPOUEQW-GFCCVEGCSA-N 2 0 244.342 1.520 20 0 BDADRP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000248159251 323016482 /nfs/dbraw/zinc/01/64/82/323016482.db2.gz RWEZERINVUKHGS-QNWHQSFQSA-N 2 0 228.380 1.466 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@H](C)[C@H](C)CO)CC1 ZINC000134184549 323022210 /nfs/dbraw/zinc/02/22/10/323022210.db2.gz BGEJJGXTMNOMDO-VXGBXAGGSA-N 2 0 228.380 1.466 20 0 BDADRP CC(C)[C@@H]1CCC[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000562603556 323025455 /nfs/dbraw/zinc/02/54/55/323025455.db2.gz PZSCEOBCHHVPFS-UONOGXRCSA-N 2 0 242.407 1.979 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cccnc1 ZINC000562748139 323029588 /nfs/dbraw/zinc/02/95/88/323029588.db2.gz VPQWFPCJIFCMMM-VTXSZYRJSA-N 2 0 231.343 1.687 20 0 BDADRP C[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000562809778 323031268 /nfs/dbraw/zinc/03/12/68/323031268.db2.gz KEIITDWKEHSWQE-NEPJUHHUSA-N 2 0 241.379 1.152 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000569708565 323038026 /nfs/dbraw/zinc/03/80/26/323038026.db2.gz PCVWNKIKOQTXKV-NNYUYHANSA-N 2 0 212.337 1.149 20 0 BDADRP C[NH2+]C[C@](C)(O)C[N@H+](C)CCc1ccccc1 ZINC000569855153 323042865 /nfs/dbraw/zinc/04/28/65/323042865.db2.gz PBCZYIOFCCGXEL-AWEZNQCLSA-N 2 0 236.359 1.131 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC1(O)Cc2ccccc2C1 ZINC000569957563 323045668 /nfs/dbraw/zinc/04/56/68/323045668.db2.gz KENNNDYZXWUTMO-NEPJUHHUSA-N 2 0 248.370 1.232 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2CCO)C1 ZINC000570105975 323050135 /nfs/dbraw/zinc/05/01/35/323050135.db2.gz GKDTXFCETYNNIO-QNWHQSFQSA-N 2 0 226.364 1.397 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H](C)C2C[NH2+]C2)cc1 ZINC000570630812 323065317 /nfs/dbraw/zinc/06/53/17/323065317.db2.gz VWFBNIRXDLOJKJ-UWVGGRQHSA-N 2 0 247.342 1.500 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[C@@H](O)C(F)F ZINC000570942074 323076145 /nfs/dbraw/zinc/07/61/45/323076145.db2.gz NZWVCUSIAPWRCW-DOLQZWNJSA-N 2 0 236.306 1.251 20 0 BDADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)[C@H](C)O ZINC000562988588 323078357 /nfs/dbraw/zinc/07/83/57/323078357.db2.gz QCEHVTAPQZXZON-MCIONIFRSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@H]([NH3+])CCc1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000563118304 323093806 /nfs/dbraw/zinc/09/38/06/323093806.db2.gz UCMNLOJKYRRAEP-VIFPVBQESA-N 2 0 246.314 1.475 20 0 BDADRP C[C@@H]1CC[N@H+](CCN[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000531727701 323111509 /nfs/dbraw/zinc/11/15/09/323111509.db2.gz GQAISRONKMGPFK-RDBSUJKOSA-N 2 0 239.407 1.401 20 0 BDADRP Cc1ncncc1[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000563419245 323123724 /nfs/dbraw/zinc/12/37/24/323123724.db2.gz SGHCOPVVIMXSTC-LLVKDONJSA-N 2 0 248.374 1.777 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)[C@H](C)O1 ZINC000563423634 323124343 /nfs/dbraw/zinc/12/43/43/323124343.db2.gz HRXLUPGPCDOHRH-RXGFPQBGSA-N 2 0 226.364 1.659 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cnn3ccccc23)C1 ZINC000563429744 323125104 /nfs/dbraw/zinc/12/51/04/323125104.db2.gz ZMDQMVDWOQQKCA-OLZOCXBDSA-N 2 0 244.342 1.694 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC2(CCO)CCC2)C1 ZINC000563426668 323126141 /nfs/dbraw/zinc/12/61/41/323126141.db2.gz VRQRYWHAROZKAJ-VXGBXAGGSA-N 2 0 226.364 1.399 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CC2(CCO)CCC2)C1 ZINC000563426665 323126223 /nfs/dbraw/zinc/12/62/23/323126223.db2.gz VRQRYWHAROZKAJ-NWDGAFQWSA-N 2 0 226.364 1.399 20 0 BDADRP CC[NH2+]CCCN[C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000571394682 323143232 /nfs/dbraw/zinc/14/32/32/323143232.db2.gz ANSKQUVVIYXWGQ-DZGCQCFKSA-N 2 0 249.402 1.534 20 0 BDADRP CC(C)n1cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cn1 ZINC000571404520 323143756 /nfs/dbraw/zinc/14/37/56/323143756.db2.gz XFORCRNCFMRDFN-QWRGUYRKSA-N 2 0 224.352 1.679 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CCCC[C@@H]1C[NH3+] ZINC000414658856 323151046 /nfs/dbraw/zinc/15/10/46/323151046.db2.gz RRVQEEVLPRFMPB-NWDGAFQWSA-N 2 0 213.369 1.173 20 0 BDADRP C(C[C@@H]1CCC[NH2+]C1)[NH2+]C[C@H]1CCSC1 ZINC000414842493 323151654 /nfs/dbraw/zinc/15/16/54/323151654.db2.gz OYGQCOORAGZFNL-NWDGAFQWSA-N 2 0 228.405 1.719 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1nc(C)ccc1O ZINC000414842510 323151657 /nfs/dbraw/zinc/15/16/57/323151657.db2.gz PAJFMPGXGWNUNE-SECBINFHSA-N 2 0 223.320 1.041 20 0 BDADRP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cn1 ZINC000531970661 323160340 /nfs/dbraw/zinc/16/03/40/323160340.db2.gz DHGODUIXVCCZHH-IUODEOHRSA-N 2 0 247.386 1.862 20 0 BDADRP Cc1cnccc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000129863339 323161627 /nfs/dbraw/zinc/16/16/27/323161627.db2.gz JJFPLVYKCOTALF-DGCLKSJQSA-N 2 0 219.332 1.559 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)[C@H]1CCOC1 ZINC000305255368 323168845 /nfs/dbraw/zinc/16/88/45/323168845.db2.gz BKWXRCHQOMCTIU-RDBSUJKOSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]C(C1CC1)C1CC1 ZINC000308818074 323178899 /nfs/dbraw/zinc/17/88/99/323178899.db2.gz JABSSSYPGHBWEX-CABZTGNLSA-N 2 0 208.349 1.763 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000395140094 323188715 /nfs/dbraw/zinc/18/87/15/323188715.db2.gz GSXBLUAZKJHEMO-UPJWGTAASA-N 2 0 228.380 1.515 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)C1 ZINC000395158492 323189476 /nfs/dbraw/zinc/18/94/76/323189476.db2.gz MRQMNAQRAACVMK-YVECIDJPSA-N 2 0 226.364 1.484 20 0 BDADRP COc1ccc([C@@H](C[NH3+])C[NH+]2CCCC2)cc1 ZINC000041264258 323205787 /nfs/dbraw/zinc/20/57/87/323205787.db2.gz UMDWUGQRLKNQAC-ZDUSSCGKSA-N 2 0 234.343 1.833 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccccc1CO ZINC000532208075 323209795 /nfs/dbraw/zinc/20/97/95/323209795.db2.gz HXUSPCWQAHRVJE-IUODEOHRSA-N 2 0 248.370 1.609 20 0 BDADRP Cc1ncccc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000530217240 323217252 /nfs/dbraw/zinc/21/72/52/323217252.db2.gz AMNQBPVUCGQKAM-DDTOSNHZSA-N 2 0 249.358 1.232 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC12CC(C1)CO2 ZINC000530220309 323217936 /nfs/dbraw/zinc/21/79/36/323217936.db2.gz MUUGOQUBTGYSDG-QZQSVVMZSA-N 2 0 224.348 1.415 20 0 BDADRP COc1ccc(CC[NH2+][C@H]2CNCC[C@H]2C)cn1 ZINC000530218971 323217947 /nfs/dbraw/zinc/21/79/47/323217947.db2.gz IHPHXLORXFYZHQ-YPMHNXCESA-N 2 0 249.358 1.220 20 0 BDADRP Cc1ncccc1C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000530219387 323218184 /nfs/dbraw/zinc/21/81/84/323218184.db2.gz JCJQXBKSBMQQOV-SMDDNHRTSA-N 2 0 233.359 1.868 20 0 BDADRP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C1CCC1 ZINC000324767543 323280937 /nfs/dbraw/zinc/28/09/37/323280937.db2.gz BURJMLSQAFKFQX-KGLIPLIRSA-N 2 0 240.391 1.611 20 0 BDADRP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C1CCC1 ZINC000324767544 323281216 /nfs/dbraw/zinc/28/12/16/323281216.db2.gz BURJMLSQAFKFQX-UONOGXRCSA-N 2 0 240.391 1.611 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)CC[NH2+]C2CC2)cc1 ZINC000572177992 323559146 /nfs/dbraw/zinc/55/91/46/323559146.db2.gz HZYXIXBOFRUOSV-UHFFFAOYSA-N 2 0 247.342 1.487 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]CCC[NH+](C)C)[C@H]1SC ZINC000459369410 324146058 /nfs/dbraw/zinc/14/60/58/324146058.db2.gz NUMINPNYUPKMIU-IJLUTSLNSA-N 2 0 246.420 1.437 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000530211560 324523769 /nfs/dbraw/zinc/52/37/69/324523769.db2.gz ONIQXIRAEBKHKL-MLGHIDQZSA-N 2 0 208.349 1.892 20 0 BDADRP C[C@H](N[C@H]1CC[NH2+]C12CCC2)[C@H]1CCC[NH2+]C1 ZINC000530214901 324529958 /nfs/dbraw/zinc/52/99/58/324529958.db2.gz DQFZJGFMYVLSEH-AVGNSLFASA-N 2 0 237.391 1.249 20 0 BDADRP COCC[C@H](C)[NH2+]C[C@@H](C)N(C)C1CC1 ZINC000131115479 325118617 /nfs/dbraw/zinc/11/86/17/325118617.db2.gz WQWUZBZPUWSCJT-WDEREUQCSA-N 2 0 214.353 1.484 20 0 BDADRP COCCC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000075860721 325318382 /nfs/dbraw/zinc/31/83/82/325318382.db2.gz PYYDPHGTLVJSLT-CYBMUJFWSA-N 2 0 228.380 1.829 20 0 BDADRP C[NH2+][C@@H](C)Cc1noc(C2([NH3+])CCCCC2)n1 ZINC000564959622 325834790 /nfs/dbraw/zinc/83/47/90/325834790.db2.gz FICPPKQCYDNLJX-VIFPVBQESA-N 2 0 238.335 1.338 20 0 BDADRP C[C@H]([NH2+]CCC[NH3+])c1ccc2c(c1)CCC(=O)N2 ZINC000566089085 325992525 /nfs/dbraw/zinc/99/25/25/325992525.db2.gz MRYDZXJORPYPRN-JTQLQIEISA-N 2 0 247.342 1.571 20 0 BDADRP CC(C)(C)[NH2+]CCN1CCC[C@H](C[NH3+])C1 ZINC000566225744 326018525 /nfs/dbraw/zinc/01/85/25/326018525.db2.gz JOKBYWMCNZLTLM-LLVKDONJSA-N 2 0 213.369 1.045 20 0 BDADRP CCOC(=O)CC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566242952 326021662 /nfs/dbraw/zinc/02/16/62/326021662.db2.gz PBNSTQKCJXUKBB-ZDUSSCGKSA-N 2 0 240.347 1.015 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H](CO)CC2CCCC2)C1 ZINC000566571452 326065276 /nfs/dbraw/zinc/06/52/76/326065276.db2.gz BJFGLXYVEDGNDW-MCIONIFRSA-N 2 0 240.391 1.787 20 0 BDADRP CC(C)[N@@H+](C)C[C@H](C)N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000566648768 326071249 /nfs/dbraw/zinc/07/12/49/326071249.db2.gz CVCSRHHNYLDSAL-BFHYXJOUSA-N 2 0 241.423 1.787 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)[C@@]2(C)CCC[NH2+]2)cc1 ZINC000566667978 326072390 /nfs/dbraw/zinc/07/23/90/326072390.db2.gz DDXVLIOBIWENIT-CQSZACIVSA-N 2 0 247.342 1.487 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)[C@]2(C)CCC[NH2+]2)cc1 ZINC000566667977 326072553 /nfs/dbraw/zinc/07/25/53/326072553.db2.gz DDXVLIOBIWENIT-AWEZNQCLSA-N 2 0 247.342 1.487 20 0 BDADRP CC(C)CCCN(CC[NH+](C)C)CC[NH+](C)C ZINC000566764862 326080860 /nfs/dbraw/zinc/08/08/60/326080860.db2.gz RSWIQLWTAREEMR-UHFFFAOYSA-N 2 0 243.439 1.848 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@H](N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000566867056 326089006 /nfs/dbraw/zinc/08/90/06/326089006.db2.gz TXFWHGRQUKKMLS-XDQVBPFNSA-N 2 0 239.407 1.719 20 0 BDADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CO[C@H](C)C1 ZINC000566974497 326098842 /nfs/dbraw/zinc/09/88/42/326098842.db2.gz XNLITMPBEPYYEI-SUZMYJTESA-N 2 0 249.358 1.677 20 0 BDADRP CCC[N@@H+]1CCC[C@H]1CNc1nc(C)ncc1C ZINC000567290884 326156975 /nfs/dbraw/zinc/15/69/75/326156975.db2.gz OKUDPPYOWUQMHD-ZDUSSCGKSA-N 2 0 248.374 1.802 20 0 BDADRP CC[C@@](C)(C[NH3+])c1nc(C2([NH3+])CCCC2)no1 ZINC000567501461 326205593 /nfs/dbraw/zinc/20/55/93/326205593.db2.gz UZAZDCARZPKBEI-NSHDSACASA-N 2 0 238.335 1.424 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000567502300 326206171 /nfs/dbraw/zinc/20/61/71/326206171.db2.gz FAWWPLOCGAGBRV-RYUDHWBXSA-N 3 0 225.380 1.045 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156076146 326218404 /nfs/dbraw/zinc/21/84/04/326218404.db2.gz IZLQCRPEUYXUOL-AAVRWANBSA-N 2 0 238.375 1.770 20 0 BDADRP CC(C)[NH2+]CCC(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000567572184 326219991 /nfs/dbraw/zinc/21/99/91/326219991.db2.gz GUXIUDDNTOVSRW-GFCCVEGCSA-N 2 0 241.379 1.104 20 0 BDADRP Cc1nccnc1CC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000567640556 326236735 /nfs/dbraw/zinc/23/67/35/326236735.db2.gz ZCDWKACHPHLRGQ-TZMCWYRMSA-N 2 0 248.374 1.577 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+]CC2(O)CCC2)C1 ZINC000567680989 326244118 /nfs/dbraw/zinc/24/41/18/326244118.db2.gz JYRGOKQUZCUXOR-GFCCVEGCSA-N 2 0 226.364 1.223 20 0 BDADRP COC(=O)C(C)(C)CC[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000567748230 326255112 /nfs/dbraw/zinc/25/51/12/326255112.db2.gz OLZJTPSJOFXCSV-MNOVXSKESA-N 2 0 242.363 1.387 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H](C)C[C@H](C)[NH3+] ZINC000567871212 326273926 /nfs/dbraw/zinc/27/39/26/326273926.db2.gz ZRCPYGSKFYRZCF-YFKTTZPYSA-N 2 0 213.369 1.232 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)C[C@@H](C)C1 ZINC000568165560 326317612 /nfs/dbraw/zinc/31/76/12/326317612.db2.gz QOJHBSWHKQPYDM-MJBXVCDLSA-N 2 0 242.407 1.667 20 0 BDADRP CCC[NH+](CCC)CCCNC(=O)[C@H](C)[NH2+]C ZINC000568235736 326331516 /nfs/dbraw/zinc/33/15/16/326331516.db2.gz XZIYQWGCFMPKCK-LBPRGKRZSA-N 2 0 243.395 1.223 20 0 BDADRP Cc1cccc(NCC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000568900757 326381973 /nfs/dbraw/zinc/38/19/73/326381973.db2.gz DYBRRDSGQUVKNU-CHWSQXEVSA-N 2 0 248.374 1.661 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000400468351 487980566 /nfs/dbraw/zinc/98/05/66/487980566.db2.gz UKMZCXYTGMCUMS-RWMBFGLXSA-N 2 0 225.380 1.201 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)C[C@H]1C ZINC000310410421 487981247 /nfs/dbraw/zinc/98/12/47/487981247.db2.gz OUFSUKIBVJBFSL-MCIONIFRSA-N 2 0 242.407 1.808 20 0 BDADRP CC(C)[C@](C)(O)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400961337 488012227 /nfs/dbraw/zinc/01/22/27/488012227.db2.gz LCPJBJVZJZSDQJ-REWJHTLYSA-N 2 0 240.391 1.371 20 0 BDADRP COC[C@H](C)C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000045706798 488026831 /nfs/dbraw/zinc/02/68/31/488026831.db2.gz NTVNTMFXQSKBCA-GMTAPVOTSA-N 2 0 200.326 1.081 20 0 BDADRP CC(C)([NH3+])CC(=O)NCCC[NH+]1CCCCC1 ZINC000084163822 488031040 /nfs/dbraw/zinc/03/10/40/488031040.db2.gz PLPAUXKUNNEIPK-UHFFFAOYSA-N 2 0 241.379 1.106 20 0 BDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)CC(C)(C)[NH3+])C1 ZINC000084186715 488035808 /nfs/dbraw/zinc/03/58/08/488035808.db2.gz WCFSNMBOYGWEAH-LLVKDONJSA-N 2 0 241.379 1.057 20 0 BDADRP CC[C@@H](O)C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000230026382 488038379 /nfs/dbraw/zinc/03/83/79/488038379.db2.gz VICAYMJGHVEFFU-CQSZACIVSA-N 2 0 236.359 1.608 20 0 BDADRP Cc1csc(CC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000084221764 488038688 /nfs/dbraw/zinc/03/86/88/488038688.db2.gz OIGBYRWSIAUOEA-GHMZBOCLSA-N 2 0 239.388 1.711 20 0 BDADRP CO[C@H](C)C[N@H+](C[C@@H]1CC[NH2+]C1)C(C)C ZINC000390818953 488045608 /nfs/dbraw/zinc/04/56/08/488045608.db2.gz RZJKQILOYBMZDU-VXGBXAGGSA-N 2 0 214.353 1.341 20 0 BDADRP COCCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000084480757 488053805 /nfs/dbraw/zinc/05/38/05/488053805.db2.gz HPENQJORPIRZDY-NSHDSACASA-N 2 0 214.353 1.485 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000389123563 488077590 /nfs/dbraw/zinc/07/75/90/488077590.db2.gz CPPJTPVTXKOURK-AGIUHOORSA-N 2 0 225.380 1.330 20 0 BDADRP CCCC[N@H+](C)CCNC(=O)CC1([NH3+])CCC1 ZINC000166640963 488099942 /nfs/dbraw/zinc/09/99/42/488099942.db2.gz MLAAWAQAJRZLAC-UHFFFAOYSA-N 2 0 241.379 1.106 20 0 BDADRP COC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000389609159 488103156 /nfs/dbraw/zinc/10/31/56/488103156.db2.gz AMERIRAXSCCHQN-SRVKXCTJSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2CCC(O)CC2)CC[N@@H+]1C ZINC000227648879 488108363 /nfs/dbraw/zinc/10/83/63/488108363.db2.gz CHLZALHRWNTUIO-NELGMTEASA-N 2 0 240.391 1.610 20 0 BDADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(C[NH3+])c1 ZINC000669508421 488109306 /nfs/dbraw/zinc/10/93/06/488109306.db2.gz WMGNESODXITJRY-CHWSQXEVSA-N 2 0 247.342 1.472 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000667775316 488117842 /nfs/dbraw/zinc/11/78/42/488117842.db2.gz JATVTJIJTIFOJC-KGLIPLIRSA-N 2 0 240.391 1.874 20 0 BDADRP CC[N@@H+]1CCC[C@H]1CNC(=O)CCC(C)(C)[NH3+] ZINC000070086535 487537970 /nfs/dbraw/zinc/53/79/70/487537970.db2.gz DCNVHKRCSFVOMG-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP C[C@H](O)C1([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000668698461 488129997 /nfs/dbraw/zinc/12/99/97/488129997.db2.gz CGMAMEOCQFQQSD-QJPTWQEYSA-N 2 0 224.348 1.116 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C)[C@H](C)C1 ZINC000310543760 488130282 /nfs/dbraw/zinc/13/02/82/488130282.db2.gz RTEHVZZWIHTIRL-MGPQQGTHSA-N 2 0 242.407 1.665 20 0 BDADRP Cc1nc2cc(NC(=O)[C@H](C)[NH+](C)C)ccc2[nH]1 ZINC000674285579 487543894 /nfs/dbraw/zinc/54/38/94/487543894.db2.gz KSEIIDXKYRMBSX-QMMMGPOBSA-N 2 0 246.314 1.760 20 0 BDADRP CC[N@H+](CC1CC[NH2+]CC1)[C@H]1CCCOC1 ZINC000086701920 487532929 /nfs/dbraw/zinc/53/29/29/487532929.db2.gz MQAUNCGFVOKJBD-ZDUSSCGKSA-N 2 0 226.364 1.487 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H]2CC[C@@H](C)O2)C1 ZINC000227056025 487484637 /nfs/dbraw/zinc/48/46/37/487484637.db2.gz DFJDEWLDPOFHRD-AGIUHOORSA-N 2 0 226.364 1.485 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)[C@@H](C)[C@H]1C ZINC000399627301 487491134 /nfs/dbraw/zinc/49/11/34/487491134.db2.gz VRNWQHNGVQQPJF-AAVRWANBSA-N 2 0 242.407 1.664 20 0 BDADRP Cc1nnc(CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000391805605 487493498 /nfs/dbraw/zinc/49/34/98/487493498.db2.gz GCTVNRKQMRRUBX-NXEZZACHSA-N 2 0 240.376 1.249 20 0 BDADRP CC1(C)CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662257601 487493561 /nfs/dbraw/zinc/49/35/61/487493561.db2.gz OPDOZLMINWOQPE-NSHDSACASA-N 2 0 224.348 1.382 20 0 BDADRP CC[N@H+](C)[C@@H](C(=O)NC[C@H](C)[NH3+])c1ccccc1 ZINC000249107091 487494958 /nfs/dbraw/zinc/49/49/58/487494958.db2.gz PTGKDDNSPMURSY-WCQYABFASA-N 2 0 249.358 1.143 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CN(CCC(C)(C)C2CC2)CCO1 ZINC000406078697 487500239 /nfs/dbraw/zinc/50/02/39/487500239.db2.gz WCEZRFIQTKBOFE-DGCLKSJQSA-N 2 0 240.391 1.861 20 0 BDADRP COCCCCC[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000404902261 487518296 /nfs/dbraw/zinc/51/82/96/487518296.db2.gz QIPUEUCSTUOXSU-QWRGUYRKSA-N 2 0 214.353 1.519 20 0 BDADRP CO[C@@H](CN(C)[C@H](C[NH3+])C1CC1)C1CCCC1 ZINC000662274606 487523052 /nfs/dbraw/zinc/52/30/52/487523052.db2.gz XULCCBXOFJYBSI-KGLIPLIRSA-N 2 0 240.391 1.861 20 0 BDADRP C[C@@]1(C[NH3+])CC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000662274585 487523503 /nfs/dbraw/zinc/52/35/03/487523503.db2.gz XHVSSEYAJYTLML-RNJOBUHISA-N 2 0 208.349 1.703 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1C ZINC000379894190 488155203 /nfs/dbraw/zinc/15/52/03/488155203.db2.gz BLHCZAIPLLPPFD-RYUDHWBXSA-N 2 0 214.353 1.172 20 0 BDADRP C[C@H](CC(C)(C)O)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000385207429 487771383 /nfs/dbraw/zinc/77/13/83/487771383.db2.gz PWXZJNHXPJJSEN-VXGBXAGGSA-N 2 0 242.407 1.856 20 0 BDADRP C[NH+](C)Cc1cccc(CNC(=O)C(C)(C)[NH3+])c1 ZINC000164416818 487834037 /nfs/dbraw/zinc/83/40/37/487834037.db2.gz PZLKLYQPFLZUOT-UHFFFAOYSA-N 2 0 249.358 1.102 20 0 BDADRP C[C@@H](CC[NH3+])[NH2+]Cc1scnc1C1CC1 ZINC000414889772 488083956 /nfs/dbraw/zinc/08/39/56/488083956.db2.gz GOZAYMCUGKPCKJ-QMMMGPOBSA-N 2 0 225.361 1.847 20 0 BDADRP CC[C@H](C)C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000657573419 488136870 /nfs/dbraw/zinc/13/68/70/488136870.db2.gz MXGHBSLWOPFTMI-KBPBESRZSA-N 2 0 243.439 1.894 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H](NCCC[NH+]2CCCCC2)C1 ZINC000093210223 488139462 /nfs/dbraw/zinc/13/94/62/488139462.db2.gz BWMSSJYTMXYMHS-ZIAGYGMSSA-N 2 0 239.407 1.722 20 0 BDADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCCF)C2 ZINC000379658395 488147074 /nfs/dbraw/zinc/14/70/74/488147074.db2.gz NJIZWTFKUJIUTF-QWRGUYRKSA-N 2 0 200.301 1.407 20 0 BDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000667899053 488150186 /nfs/dbraw/zinc/15/01/86/488150186.db2.gz HXZOVDDSJUOKKE-FOUMNBMASA-N 2 0 224.348 1.094 20 0 BDADRP C[C@](O)(C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000379889266 488154846 /nfs/dbraw/zinc/15/48/46/488154846.db2.gz ZLULSNZUMSMFJK-WOPDTQHZSA-N 2 0 212.337 1.007 20 0 BDADRP CCC[NH+]1CCC(NCC2([NH+](C)C)CC2)CC1 ZINC000397830282 488158147 /nfs/dbraw/zinc/15/81/47/488158147.db2.gz MTVQJHRTEYKCBR-UHFFFAOYSA-N 2 0 239.407 1.545 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)CCC1CC1 ZINC000390557453 488166185 /nfs/dbraw/zinc/16/61/85/488166185.db2.gz IXTIQRWEWHPUAU-ZDUSSCGKSA-N 2 0 228.380 1.419 20 0 BDADRP Cc1nccn1CCC[N@@H+]1CCC12CCOCC2 ZINC000683525257 488185376 /nfs/dbraw/zinc/18/53/76/488185376.db2.gz RWEXUILPSJGDKN-UHFFFAOYSA-N 2 0 249.358 1.837 20 0 BDADRP CC[N@H+](CC[C@H]1CCC[NH+]1C)C[C@H]1CCOC1 ZINC000678073242 488191864 /nfs/dbraw/zinc/19/18/64/488191864.db2.gz OGYTXIUZDUWFEF-ZIAGYGMSSA-N 2 0 240.391 1.829 20 0 BDADRP CC[C@H](C)C[C@H](CO)[NH2+]C1CCN(CC)CC1 ZINC000647336110 488192501 /nfs/dbraw/zinc/19/25/01/488192501.db2.gz MPDGYYHVIGYHAJ-GXTWGEPZSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@@H]1COCCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000678080931 488192950 /nfs/dbraw/zinc/19/29/50/488192950.db2.gz QGQSYUUINLPYNS-CHWSQXEVSA-N 2 0 226.364 1.582 20 0 BDADRP C[C@@H]1C[C@H]1C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000668740865 488193631 /nfs/dbraw/zinc/19/36/31/488193631.db2.gz XWLZABWWCNOEGI-DYEKYZERSA-N 2 0 238.375 1.173 20 0 BDADRP Cc1ncc(C[N@H+](C)[C@H]2CCCOC2)n1C ZINC000668141228 488209066 /nfs/dbraw/zinc/20/90/66/488209066.db2.gz YXMKOKRPKKNURU-NSHDSACASA-N 2 0 223.320 1.339 20 0 BDADRP CC(C)N(C)CC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000054111147 488210667 /nfs/dbraw/zinc/21/06/67/488210667.db2.gz FGSSUGJQXVKDFZ-ZDUSSCGKSA-N 2 0 241.423 1.647 20 0 BDADRP c1n[nH]cc1CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000678280163 488236294 /nfs/dbraw/zinc/23/62/94/488236294.db2.gz GEVNDUXXJQBYQH-ZDUSSCGKSA-N 2 0 248.374 1.718 20 0 BDADRP C[NH+]1CCN(C(C)(C)C[NH2+]CC2(F)CC2)CC1 ZINC000684367213 488298872 /nfs/dbraw/zinc/29/88/72/488298872.db2.gz LHSDBNQFHCPWOR-UHFFFAOYSA-N 2 0 243.370 1.104 20 0 BDADRP CC[N@@H+]1CCN(c2cc[nH+]cc2C)C[C@@H]1C ZINC000684579379 488328862 /nfs/dbraw/zinc/32/88/62/488328862.db2.gz JJWOBTLJKFNEGL-LBPRGKRZSA-N 2 0 219.332 1.920 20 0 BDADRP Cc1n[nH]cc1[C@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000679359887 488345599 /nfs/dbraw/zinc/34/55/99/488345599.db2.gz RQBPPSMWWMWZRO-JTQLQIEISA-N 2 0 234.347 1.631 20 0 BDADRP Cn1cncc1CCC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000314623479 490092214 /nfs/dbraw/zinc/09/22/14/490092214.db2.gz BSQSFRLCMBUIHX-AWEZNQCLSA-N 2 0 248.374 1.038 20 0 BDADRP C[C@H]([NH2+]CC(C)(C)CO)C1CC[NH+](C)CC1 ZINC000122030278 490118951 /nfs/dbraw/zinc/11/89/51/490118951.db2.gz DUHJEOVODWCPGP-NSHDSACASA-N 2 0 228.380 1.325 20 0 BDADRP C(C[NH2+][C@H]1CCCOC1)C[NH+]1CCCCC1 ZINC000070011706 490196281 /nfs/dbraw/zinc/19/62/81/490196281.db2.gz AOPSUTFMPSWTPZ-ZDUSSCGKSA-N 2 0 226.364 1.631 20 0 BDADRP CCOc1cccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000414924715 490213377 /nfs/dbraw/zinc/21/33/77/490213377.db2.gz KIHBWJRALOPHRD-NEPJUHHUSA-N 2 0 249.358 1.840 20 0 BDADRP [NH3+]CCC[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000415121860 490214767 /nfs/dbraw/zinc/21/47/67/490214767.db2.gz KYLFOKRPWZSZRP-QWHCGFSZSA-N 2 0 220.316 1.143 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@H]2C[C@H]2C1 ZINC000661972343 490243613 /nfs/dbraw/zinc/24/36/13/490243613.db2.gz PPNJTGPXMOTKGV-RWMBFGLXSA-N 2 0 208.349 1.813 20 0 BDADRP CCCN1CC[C@H]([NH2+][C@H](C)COCC)C1 ZINC000328508116 490298038 /nfs/dbraw/zinc/29/80/38/490298038.db2.gz MEYWIRRQXJTBGV-NEPJUHHUSA-N 2 0 214.353 1.485 20 0 BDADRP CCCN1CC[C@@H]([NH2+][C@@H](C)COCC)C1 ZINC000328508118 490298059 /nfs/dbraw/zinc/29/80/59/490298059.db2.gz MEYWIRRQXJTBGV-NWDGAFQWSA-N 2 0 214.353 1.485 20 0 BDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)CC(C)(C)[NH3+] ZINC000084165037 490377493 /nfs/dbraw/zinc/37/74/93/490377493.db2.gz VFIMOOTWGOKNKD-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP Cc1cc(C)cc(C[N@H+](C)C[C@@H]2CNCCO2)c1 ZINC000125448869 490432268 /nfs/dbraw/zinc/43/22/68/490432268.db2.gz XVKLNHMMXDLPKM-HNNXBMFYSA-N 2 0 248.370 1.724 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cncs2)C1 ZINC000131430448 490637161 /nfs/dbraw/zinc/63/71/61/490637161.db2.gz CMPOFXBTHUKGRB-BDAKNGLRSA-N 2 0 211.334 1.503 20 0 BDADRP COCc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000090320294 491124419 /nfs/dbraw/zinc/12/44/19/491124419.db2.gz FIZXIZQFERQNDF-GASCZTMLSA-N 2 0 246.354 1.484 20 0 BDADRP CC(C)[NH2+][C@@H]1CCCN(Cc2cncn2C)C1 ZINC000309982988 491159329 /nfs/dbraw/zinc/15/93/29/491159329.db2.gz MHAVSXPCRCWKNK-GFCCVEGCSA-N 2 0 236.363 1.383 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000348100666 582524985 /nfs/dbraw/zinc/52/49/85/582524985.db2.gz HCAKRDNZBCMCPM-KGLIPLIRSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H](NCC1([NH+](C)C)CCC1)[C@H]1CCC[NH2+]1 ZINC000400502470 533832990 /nfs/dbraw/zinc/83/29/90/533832990.db2.gz CLFOGIFZAPOPJR-NWDGAFQWSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@H](NCCC[NH+]1CCCCC1)[C@H]1CCC[NH2+]1 ZINC000400715994 533847362 /nfs/dbraw/zinc/84/73/62/533847362.db2.gz NHFHMXKOWJNFDU-UONOGXRCSA-N 2 0 239.407 1.593 20 0 BDADRP C[C@H](CCCC[NH3+])NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000495147012 533843433 /nfs/dbraw/zinc/84/34/33/533843433.db2.gz NCZRVRLKGYAOIV-DGCLKSJQSA-N 2 0 241.379 1.152 20 0 BDADRP C[C@@H](C[NH2+][C@H]1C[C@@H](C)[C@@H]1C)N1CC[NH+](C)CC1 ZINC000495077734 534086918 /nfs/dbraw/zinc/08/69/18/534086918.db2.gz GSXGEUBSYSRRPF-RFGFWPKPSA-N 2 0 239.407 1.256 20 0 BDADRP CC[C@@H](COC)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000070656798 535760973 /nfs/dbraw/zinc/76/09/73/535760973.db2.gz YOZXIHJQUCYXSM-OLZOCXBDSA-N 2 0 228.380 1.733 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000227556461 536091842 /nfs/dbraw/zinc/09/18/42/536091842.db2.gz KRIBUFXQKPPORH-REWJHTLYSA-N 2 0 242.407 1.713 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@H](O)c2ccccc2)CC1 ZINC000035112687 517656965 /nfs/dbraw/zinc/65/69/65/517656965.db2.gz IOEHAYAYHUCYJN-HNNXBMFYSA-N 2 0 248.370 1.794 20 0 BDADRP C[C@]1(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])CCOC1 ZINC000422725346 518185437 /nfs/dbraw/zinc/18/54/37/518185437.db2.gz BDZANZRDQDIFEY-RWMBFGLXSA-N 2 0 226.364 1.663 20 0 BDADRP C[C@H]1COCCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000892077441 582786801 /nfs/dbraw/zinc/78/68/01/582786801.db2.gz SDWLBVGILHRANB-LBPRGKRZSA-N 2 0 226.364 1.439 20 0 BDADRP COC[C@@H](C)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000261545465 536521458 /nfs/dbraw/zinc/52/14/58/536521458.db2.gz KBKSTSGYUIXRSP-NEPJUHHUSA-N 2 0 212.337 1.097 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N[C@@H](C)CCCC[NH3+] ZINC000494686564 528463509 /nfs/dbraw/zinc/46/35/09/528463509.db2.gz OVYRDIGQNGEYPF-JQWIXIFHSA-N 2 0 229.368 1.138 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N[C@H](C)CCCC[NH3+] ZINC000494686565 528463667 /nfs/dbraw/zinc/46/36/67/528463667.db2.gz OVYRDIGQNGEYPF-PWSUYJOCSA-N 2 0 229.368 1.138 20 0 BDADRP CC[N@H+](CCN[C@H](C)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000400721424 528517695 /nfs/dbraw/zinc/51/76/95/528517695.db2.gz OPQZJLAHFPCJKX-YPMHNXCESA-N 2 0 225.380 1.201 20 0 BDADRP CC1(C)OCC[C@H]1[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000336897530 535001398 /nfs/dbraw/zinc/00/13/98/535001398.db2.gz PJDQGUBOSYMZLD-DGCLKSJQSA-N 2 0 238.375 1.628 20 0 BDADRP CCC(CC)C[N@H+](CC)CCOCC[NH3+] ZINC000086435494 535017837 /nfs/dbraw/zinc/01/78/37/535017837.db2.gz ILYHGJVDQSQRNR-UHFFFAOYSA-N 2 0 216.369 1.720 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226867955 535048870 /nfs/dbraw/zinc/04/88/70/535048870.db2.gz WAFJYAZLLNGTOU-TUAOUCFPSA-N 2 0 241.379 1.103 20 0 BDADRP CC(C)COCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000261540675 535177438 /nfs/dbraw/zinc/17/74/38/535177438.db2.gz HBYNSQKINFBVAB-MELADBBJSA-N 2 0 240.391 1.718 20 0 BDADRP CC(C)([NH3+])CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000336053383 535197533 /nfs/dbraw/zinc/19/75/33/535197533.db2.gz NPJUVFYZAZDVFK-CYBMUJFWSA-N 2 0 239.407 1.674 20 0 BDADRP CC(C)CO[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000178977376 535203653 /nfs/dbraw/zinc/20/36/53/535203653.db2.gz IFOKHXCCNUHWAH-CQSZACIVSA-N 2 0 240.391 1.733 20 0 BDADRP CC(C)(O)CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000261547611 535292521 /nfs/dbraw/zinc/29/25/21/535292521.db2.gz IGBCSPZRKBMWGM-XQQFMLRXSA-N 2 0 240.391 1.658 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261809942 535353445 /nfs/dbraw/zinc/35/34/45/535353445.db2.gz GNXFNTAQLJKLNY-NEPJUHHUSA-N 2 0 241.379 1.010 20 0 BDADRP CC[NH+](CC(O)C[N@@H+](CC)C(C)C)C(C)C ZINC000181786821 535388062 /nfs/dbraw/zinc/38/80/62/535388062.db2.gz RBCWJNLOMZDABF-UHFFFAOYSA-N 2 0 230.396 1.808 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@@H]2CCSC2)CC1 ZINC000224395352 535473725 /nfs/dbraw/zinc/47/37/25/535473725.db2.gz SXHZJFXQKDIHNQ-NSHDSACASA-N 2 0 228.405 1.813 20 0 BDADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C1 ZINC000174214264 535585848 /nfs/dbraw/zinc/58/58/48/535585848.db2.gz CMIVFZVIOABZGP-KBPBESRZSA-N 2 0 240.391 1.829 20 0 BDADRP CCCn1cc(C[NH+]2CCC(C[NH3+])CC2)cn1 ZINC000219453550 535607713 /nfs/dbraw/zinc/60/77/13/535607713.db2.gz KJONRPRUQKTGPQ-UHFFFAOYSA-N 2 0 236.363 1.464 20 0 BDADRP CCOC(=O)CC[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000348064840 535643509 /nfs/dbraw/zinc/64/35/09/535643509.db2.gz ASHCASCAFZPPFE-LBPRGKRZSA-N 2 0 242.363 1.356 20 0 BDADRP CCc1nn(C)cc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000168661504 535829309 /nfs/dbraw/zinc/82/93/09/535829309.db2.gz NBCWIIHPRMJVLA-MFKMUULPSA-N 2 0 236.363 1.200 20 0 BDADRP C[NH+](C)CCCC[NH2+]C[C@@H]1CCSC1 ZINC000224409569 535831911 /nfs/dbraw/zinc/83/19/11/535831911.db2.gz IIBVPQIHHRESQR-NSHDSACASA-N 2 0 216.394 1.671 20 0 BDADRP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000218784969 535834119 /nfs/dbraw/zinc/83/41/19/535834119.db2.gz NQRJNYVWDYPHIA-YNEHKIRRSA-N 2 0 228.380 1.467 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](O)C1(C)C ZINC000335722223 536370913 /nfs/dbraw/zinc/37/09/13/536370913.db2.gz WGEJNZYDGUINPI-NEPJUHHUSA-N 2 0 226.364 1.316 20 0 BDADRP C[N@@H+]1CCC[C@H]1CCN1CC[NH+]2CCC[C@@H]2C1 ZINC000179245113 536389573 /nfs/dbraw/zinc/38/95/73/536389573.db2.gz KGJAJHMWYSPBCE-UONOGXRCSA-N 2 0 237.391 1.251 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H]1CCCOC1 ZINC000169245522 536459023 /nfs/dbraw/zinc/45/90/23/536459023.db2.gz BMBHQQQCSRGEHT-RYUDHWBXSA-N 2 0 212.337 1.097 20 0 BDADRP COCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000250481231 536590148 /nfs/dbraw/zinc/59/01/48/536590148.db2.gz WJCRKKMTMXPTBX-MGPQQGTHSA-N 2 0 240.391 1.923 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CCC[NH2+]CC1)C1CC1 ZINC000261975430 536647532 /nfs/dbraw/zinc/64/75/32/536647532.db2.gz FTUCYSMDRGAKGI-NWDGAFQWSA-N 2 0 212.337 1.143 20 0 BDADRP CO[C@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261536540 536707869 /nfs/dbraw/zinc/70/78/69/536707869.db2.gz SBMKYFRDUKQKNM-RYUDHWBXSA-N 2 0 212.337 1.097 20 0 BDADRP COc1ccccc1CC[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000230285657 537039020 /nfs/dbraw/zinc/03/90/20/537039020.db2.gz XBNCXVBNKJTKGZ-CYBMUJFWSA-N 2 0 248.370 1.827 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H](C)COC(C)=O)CC1 ZINC000892939569 583012847 /nfs/dbraw/zinc/01/28/47/583012847.db2.gz SLZLSTMCNYJQBW-NSHDSACASA-N 2 0 242.363 1.260 20 0 BDADRP Cc1cc(N)nc(N[C@H](C)C[N@H+](C)C(C)C)n1 ZINC000893914251 583246299 /nfs/dbraw/zinc/24/62/99/583246299.db2.gz MECIZIFGYJZIIK-SNVBAGLBSA-N 2 0 237.351 1.508 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H](O)c2ccccc21 ZINC000854229309 588780833 /nfs/dbraw/zinc/78/08/33/588780833.db2.gz KRPXOVJBXNYWOJ-HPEDKQMDSA-N 2 0 246.354 1.882 20 0 BDADRP CCC[NH+]1CCC(Nc2nc(N)cc(C)[nH+]2)CC1 ZINC000891583265 582699881 /nfs/dbraw/zinc/69/98/81/582699881.db2.gz XUIVSUSSYDNRIT-UHFFFAOYSA-N 2 0 249.362 1.654 20 0 BDADRP CC/C=C/CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000849035264 582836475 /nfs/dbraw/zinc/83/64/75/582836475.db2.gz BOHZEJXIUCABCB-FYJFLYSWSA-N 2 0 238.379 1.551 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+]C2CSC2)C1 ZINC000393685627 582915785 /nfs/dbraw/zinc/91/57/85/582915785.db2.gz YOPQUGUOKPBIDE-SNVBAGLBSA-N 2 0 214.378 1.423 20 0 BDADRP Cc1cc(N)nc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)[nH+]1 ZINC000892674213 582948444 /nfs/dbraw/zinc/94/84/44/582948444.db2.gz UJDVWNLLAOXFSE-VHSXEESVSA-N 2 0 235.335 1.262 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@@H](Nc2cc[nH+]cc2CO)C1 ZINC000892824727 582989784 /nfs/dbraw/zinc/98/97/84/582989784.db2.gz UEDWGRUMYBICBS-CHWSQXEVSA-N 2 0 249.358 1.281 20 0 BDADRP C[C@H]1C[C@@H](Nc2cc[nH+]cc2CO)C[N@@H+]1C1CC1 ZINC000892875628 583001966 /nfs/dbraw/zinc/00/19/66/583001966.db2.gz HEOIOACYRPJDHV-CMPLNLGQSA-N 2 0 247.342 1.033 20 0 BDADRP Cl/C=C\C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000846220396 583037164 /nfs/dbraw/zinc/03/71/64/583037164.db2.gz IFMYFEBGNVBOIH-KTAJNNJTSA-N 2 0 214.740 1.814 20 0 BDADRP C[C@H]1CCCN1CC[NH2+]CC1CC[NH+](C)CC1 ZINC000893357312 583120919 /nfs/dbraw/zinc/12/09/19/583120919.db2.gz QPJMYQKZLMDJPP-ZDUSSCGKSA-N 2 0 239.407 1.402 20 0 BDADRP CC[C@@H]1CC[C@@H](C)[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000302512071 583161477 /nfs/dbraw/zinc/16/14/77/583161477.db2.gz CHHPQSKGXLYCRM-ZIAGYGMSSA-N 2 0 239.407 1.402 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCC[C@@H]2c2ncc[nH]2)CC1 ZINC000893570391 583165431 /nfs/dbraw/zinc/16/54/31/583165431.db2.gz DQXWCZOPUSVQMY-CYBMUJFWSA-N 2 0 248.374 1.888 20 0 BDADRP C[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)[C@H](C)CN1C ZINC000893668432 583191561 /nfs/dbraw/zinc/19/15/61/583191561.db2.gz FJVUPDOEYQSXKL-CHWSQXEVSA-N 2 0 239.407 1.353 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CC1(Cl)Cl)C1C[NH2+]C1 ZINC000857253172 588901296 /nfs/dbraw/zinc/90/12/96/588901296.db2.gz IFYSSOXNZOTOAD-APPZFPTMSA-N 2 0 237.174 1.768 20 0 BDADRP Cc1cc([C@@H](C)[NH2+]CC[C@H](C)[NH3+])n(C)n1 ZINC000857252817 588901439 /nfs/dbraw/zinc/90/14/39/588901439.db2.gz DVCFYSAAYXPUTI-WCBMZHEXSA-N 2 0 210.325 1.116 20 0 BDADRP C[NH+](C)C1CCC(Nc2cc[nH+]cc2CO)CC1 ZINC000894245835 583389647 /nfs/dbraw/zinc/38/96/47/583389647.db2.gz GSRVNVTZTJSVTC-UHFFFAOYSA-N 2 0 249.358 1.281 20 0 BDADRP CN(C)c1cc(N(C)C[C@@H]2CCC[N@@H+]2C)ncn1 ZINC000894247277 583390278 /nfs/dbraw/zinc/39/02/78/583390278.db2.gz DFDLKEZDKPPSSR-NSHDSACASA-N 2 0 249.362 1.073 20 0 BDADRP CC[N@H+](CC1CC[NH+](C)CC1)[C@@H](C)CO ZINC000894640202 583498387 /nfs/dbraw/zinc/49/83/87/583498387.db2.gz YHRZFUDJUTWRCP-NSHDSACASA-N 2 0 214.353 1.031 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CC[C@@](O)(C(F)F)C2)CC1 ZINC000894708056 583512208 /nfs/dbraw/zinc/51/22/08/583512208.db2.gz RFEYJTYAOPHFRE-LBPRGKRZSA-N 2 0 248.317 1.030 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857851941 588912913 /nfs/dbraw/zinc/91/29/13/588912913.db2.gz SSLHKWCLQIUOKW-GFCCVEGCSA-N 2 0 236.363 1.719 20 0 BDADRP C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000335064900 583605353 /nfs/dbraw/zinc/60/53/53/583605353.db2.gz XLWNWGJQAXRZPG-IINYFYTJSA-N 2 0 232.327 1.557 20 0 BDADRP COc1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)o1 ZINC000895204900 583625193 /nfs/dbraw/zinc/62/51/93/583625193.db2.gz JWVIRGWVPMGPOX-PHIMTYICSA-N 2 0 238.331 1.718 20 0 BDADRP CS[C@@H]1CC[C@@H]1[NH2+]CC[C@H](C)[NH+](C)C ZINC000895291363 583636932 /nfs/dbraw/zinc/63/69/32/583636932.db2.gz FAJPIINLFCTBEI-GARJFASQSA-N 2 0 216.394 1.810 20 0 BDADRP C[C@@H](Cc1cnccn1)[NH2+]CC[C@H](C)[NH+](C)C ZINC000895293825 583639605 /nfs/dbraw/zinc/63/96/05/583639605.db2.gz ROAZHOHNRXDUMA-RYUDHWBXSA-N 2 0 236.363 1.337 20 0 BDADRP C[C@H](CC[NH2+][C@@H](C)CCn1cccn1)[NH+](C)C ZINC000895293641 583639622 /nfs/dbraw/zinc/63/96/22/583639622.db2.gz ITCVHFMCFHBTSV-QWHCGFSZSA-N 2 0 238.379 1.592 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)C1 ZINC000895347677 583655429 /nfs/dbraw/zinc/65/54/29/583655429.db2.gz MUXLVWVXSCJOQV-JOCQHMNTSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H](CC[NH2+][C@@H]1COC2(CCC2)C1)[NH+](C)C ZINC000895428894 583668490 /nfs/dbraw/zinc/66/84/90/583668490.db2.gz JZYWNWTXIJIYMV-RYUDHWBXSA-N 2 0 226.364 1.628 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCc3n[nH]cc3C2)CC1 ZINC000895540105 583687841 /nfs/dbraw/zinc/68/78/41/583687841.db2.gz BBEGEJRFYUBYQR-UHFFFAOYSA-N 2 0 234.347 1.110 20 0 BDADRP C[C@@H]1[C@@H](Nc2nccc(N(C)C)n2)CC[N@@H+]1C ZINC000895740219 583714642 /nfs/dbraw/zinc/71/46/42/583714642.db2.gz MKVVPFJSCMBDLQ-ZJUUUORDSA-N 2 0 235.335 1.047 20 0 BDADRP CC[C@@H](CN1CCOCC1)Nc1cc(C)ccn1 ZINC000895804007 583731369 /nfs/dbraw/zinc/73/13/69/583731369.db2.gz HGVIFXFUEAQLPO-ZDUSSCGKSA-N 2 0 249.358 1.913 20 0 BDADRP C[N@@H+]1CC[C@@H](N[C@@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000858127597 588934414 /nfs/dbraw/zinc/93/44/14/588934414.db2.gz JRVKPMQUPFJKBG-VXGBXAGGSA-N 2 0 225.380 1.153 20 0 BDADRP C[N@H+]1CC=C(C[NH2+]Cc2ccnc(F)c2)CC1 ZINC000858155105 588936239 /nfs/dbraw/zinc/93/62/39/588936239.db2.gz AJKFBDXOAHJYJB-UHFFFAOYSA-N 2 0 235.306 1.572 20 0 BDADRP C[C@H]1CC[C@@H](C[N@H+](C)C2CC[NH2+]CC2)O1 ZINC000232018115 583849205 /nfs/dbraw/zinc/84/92/05/583849205.db2.gz AJZYNOCKPXLSPA-JQWIXIFHSA-N 2 0 212.337 1.238 20 0 BDADRP C[C@H](C[C@H]1CCOC1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000863483218 583992113 /nfs/dbraw/zinc/99/21/13/583992113.db2.gz RRACLEQDUGDOLB-JHJVBQTASA-N 2 0 238.375 1.676 20 0 BDADRP CC[N@@H+]1CCCN(CC[NH+]2CCCC2)CC1 ZINC000204441488 584000757 /nfs/dbraw/zinc/00/07/57/584000757.db2.gz OAHSFTJZDVXDEN-UHFFFAOYSA-N 2 0 225.380 1.110 20 0 BDADRP [NH3+]CCc1ccc(C[NH2+]CC[C@@H]2CCOC2)cc1 ZINC000841033091 584032055 /nfs/dbraw/zinc/03/20/55/584032055.db2.gz KIOFSVLLXTTZER-OAHLLOKOSA-N 2 0 248.370 1.704 20 0 BDADRP C[N@@H+]1C[C@@H]2C[NH+](CCC[C@H]3CCO3)C[C@]2(C)C1 ZINC000897620076 584032707 /nfs/dbraw/zinc/03/27/07/584032707.db2.gz GKNFWMBHCDDDMU-RDBSUJKOSA-N 2 0 238.375 1.439 20 0 BDADRP CCC[C@@H](C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)OC ZINC000897620274 584032802 /nfs/dbraw/zinc/03/28/02/584032802.db2.gz KOJHDTFSLNOKFP-MELADBBJSA-N 2 0 240.391 1.685 20 0 BDADRP O[C@H](CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000898203180 584090492 /nfs/dbraw/zinc/09/04/92/584090492.db2.gz GJNTYSFQVSPHLQ-BFHYXJOUSA-N 2 0 238.375 1.364 20 0 BDADRP C[C@@H]1CN(c2cc[nH+]c(CO)c2)[C@@H](C)C[N@@H+]1C ZINC000858464597 588957674 /nfs/dbraw/zinc/95/76/74/588957674.db2.gz OYNLJEOSQMQPKE-MNOVXSKESA-N 2 0 235.331 1.103 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000841049839 584124700 /nfs/dbraw/zinc/12/47/00/584124700.db2.gz WSJNZBVKFIIVCR-ZNSHCXBVSA-N 2 0 246.445 1.550 20 0 BDADRP CC(C)O[C@H]1C[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C1(C)C ZINC000873254874 584128076 /nfs/dbraw/zinc/12/80/76/584128076.db2.gz APLMUJZWUFOGIX-CYDGBPFRSA-N 2 0 240.391 1.905 20 0 BDADRP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873256291 584128255 /nfs/dbraw/zinc/12/82/55/584128255.db2.gz MRCBYFZQDWPUPB-ZDEQEGDKSA-N 2 0 240.391 1.907 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CC(C)(C)CO1 ZINC000873281630 584128485 /nfs/dbraw/zinc/12/84/85/584128485.db2.gz NHCCDUQNOZOFRN-UPJWGTAASA-N 2 0 240.391 1.779 20 0 BDADRP Cl/C=C/CNC1CC[NH+](C2CC2)CC1 ZINC000898429368 584133109 /nfs/dbraw/zinc/13/31/09/584133109.db2.gz NSBWLUJJNIVJRW-LZCJLJQNSA-N 2 0 214.740 1.955 20 0 BDADRP CCC[N@H+](CC)CCNC(=[NH2+])N[C@@H](C)C1CC1 ZINC000899267221 584190290 /nfs/dbraw/zinc/19/02/90/584190290.db2.gz MHOZGDDRISEHIQ-NSHDSACASA-N 2 0 240.395 1.631 20 0 BDADRP COc1ccc(-c2cnn(C)c2C[NH3+])c(C[NH3+])c1 ZINC000899324314 584196788 /nfs/dbraw/zinc/19/67/88/584196788.db2.gz YGZKBZBNFWNQEA-UHFFFAOYSA-N 2 0 246.314 1.013 20 0 BDADRP C[NH+]1CCC2(CC[N@@H+]2C[C@](C)(O)C(F)F)CC1 ZINC000899909403 584249607 /nfs/dbraw/zinc/24/96/07/584249607.db2.gz BFQJITRATGZROX-NSHDSACASA-N 2 0 248.317 1.173 20 0 BDADRP CC(C)(C)[C@H]([NH3+])Cc1nc([C@H]2CCC[NH2+]2)no1 ZINC000900009418 584265083 /nfs/dbraw/zinc/26/50/83/584265083.db2.gz GILUUIPDDCGLEP-RKDXNWHRSA-N 2 0 238.335 1.410 20 0 BDADRP C[NH2+][C@@H](C)Cc1noc(C[C@@H]([NH3+])C(C)(C)C)n1 ZINC000900010551 584265493 /nfs/dbraw/zinc/26/54/93/584265493.db2.gz SXEQZRKNGXDSIA-DTWKUNHWSA-N 2 0 240.351 1.136 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](CNc2cc[nH+]c(CO)c2)C1 ZINC000858615828 588971541 /nfs/dbraw/zinc/97/15/41/588971541.db2.gz MCQUGUHKHNJZCP-GSJFWJNXSA-N 2 0 235.331 1.326 20 0 BDADRP CC[C@H](C)[C@@H](O)C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902321133 584552030 /nfs/dbraw/zinc/55/20/30/584552030.db2.gz UXISSJKIGLVDCJ-AVGNSLFASA-N 2 0 242.407 1.761 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCc2ccccn2)C1 ZINC000902319967 584552406 /nfs/dbraw/zinc/55/24/06/584552406.db2.gz NRFNIZODKHBMHG-AWEZNQCLSA-N 2 0 247.386 1.992 20 0 BDADRP COCCCC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902346252 584558253 /nfs/dbraw/zinc/55/82/53/584558253.db2.gz NVQDJIFHQHCJMX-LBPRGKRZSA-N 2 0 228.380 1.781 20 0 BDADRP CCOCC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902347189 584559122 /nfs/dbraw/zinc/55/91/22/584559122.db2.gz GHLTXLWCLCTKNH-NSHDSACASA-N 2 0 214.353 1.391 20 0 BDADRP CC[C@@H](CCO)C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902335847 584564833 /nfs/dbraw/zinc/56/48/33/584564833.db2.gz CHJFDVCHYPMLCI-QWHCGFSZSA-N 2 0 242.407 1.763 20 0 BDADRP CO[C@@H](C)C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902376062 584568169 /nfs/dbraw/zinc/56/81/69/584568169.db2.gz HXASIFBYSYSEIW-QWRGUYRKSA-N 2 0 214.353 1.389 20 0 BDADRP CC[C@@H](CCO)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902358691 584570861 /nfs/dbraw/zinc/57/08/61/584570861.db2.gz CMIIGRRBXBOHJZ-NWDGAFQWSA-N 2 0 228.380 1.515 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@H](O)C2CCC2)C1 ZINC000902386286 584578607 /nfs/dbraw/zinc/57/86/07/584578607.db2.gz DXNSXXWNMATXEF-STQMWFEESA-N 2 0 240.391 1.515 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCC2(CO)CC2)C1 ZINC000902385991 584578650 /nfs/dbraw/zinc/57/86/50/584578650.db2.gz CKMBFOLSUXPBFT-LBPRGKRZSA-N 2 0 240.391 1.517 20 0 BDADRP CC[NH2+]CCCN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902391067 584581699 /nfs/dbraw/zinc/58/16/99/584581699.db2.gz SJJPKOMZEUAFDI-GFCCVEGCSA-N 2 0 227.396 1.354 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H](CO)C2CCC2)C1 ZINC000902391462 584581747 /nfs/dbraw/zinc/58/17/47/584581747.db2.gz GEOOMLPYWBOHPH-STQMWFEESA-N 2 0 240.391 1.515 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCCCCC[NH3+])C1 ZINC000902391225 584582025 /nfs/dbraw/zinc/58/20/25/584582025.db2.gz FQTUEPUSMQEPBL-ZDUSSCGKSA-N 3 0 241.423 1.873 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H](CO)C2CCC2)C1 ZINC000902391460 584582400 /nfs/dbraw/zinc/58/24/00/584582400.db2.gz GEOOMLPYWBOHPH-QWHCGFSZSA-N 2 0 240.391 1.515 20 0 BDADRP CC1(C)C[NH2+]CC[C@H](N[C@H](C[NH3+])C2CC2)C1 ZINC000902391809 584583026 /nfs/dbraw/zinc/58/30/26/584583026.db2.gz AULMNVIOXBFNJR-NWDGAFQWSA-N 2 0 225.380 1.092 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902394807 584584471 /nfs/dbraw/zinc/58/44/71/584584471.db2.gz DKVFFRWUYWOXOX-UPJWGTAASA-N 2 0 240.391 1.779 20 0 BDADRP CC1(C)C[NH2+]CC[C@H](NCC2([NH3+])CCC2)C1 ZINC000902394434 584584915 /nfs/dbraw/zinc/58/49/15/584584915.db2.gz WFBXVUQWJFXFCF-NSHDSACASA-N 2 0 225.380 1.236 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902401782 584587156 /nfs/dbraw/zinc/58/71/56/584587156.db2.gz DKVFFRWUYWOXOX-AVGNSLFASA-N 2 0 240.391 1.779 20 0 BDADRP CC(C)(C)[NH+]1CCC(NCC2([NH3+])CC2)CC1 ZINC000902415513 584589916 /nfs/dbraw/zinc/58/99/16/584589916.db2.gz HCKIVFQWHVOMIT-UHFFFAOYSA-N 2 0 225.380 1.330 20 0 BDADRP CC1(C)C[NH2+]C[C@@H]1N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000902442532 584597825 /nfs/dbraw/zinc/59/78/25/584597825.db2.gz JDLAWKKMODTZDV-UTUOFQBUSA-N 2 0 239.407 1.480 20 0 BDADRP CC(C)[NH+]1CCC(N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC000902473465 584602163 /nfs/dbraw/zinc/60/21/63/584602163.db2.gz ZKBZNVGHORJTHC-HZSPNIEDSA-N 2 0 237.391 1.342 20 0 BDADRP [NH3+][C@@H]1C[C@@H](NC[C@H]2CCCCC[NH2+]2)C12CCC2 ZINC000902479372 584604031 /nfs/dbraw/zinc/60/40/31/584604031.db2.gz XHZRQNWVNFVUPJ-JHJVBQTASA-N 2 0 237.391 1.378 20 0 BDADRP COC1CCC([NH2+][C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000902448369 584605609 /nfs/dbraw/zinc/60/56/09/584605609.db2.gz DNGMKZJCKHUHOD-HTAVTVPLSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@@H]([NH2+][C@H]1C[NH2+]CC1(C)C)C1CC[NH+](C)CC1 ZINC000902449081 584605865 /nfs/dbraw/zinc/60/58/65/584605865.db2.gz LUZDHJHXEXDGDO-YPMHNXCESA-N 3 0 239.407 1.304 20 0 BDADRP COCCC[C@@H](C)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902450128 584606196 /nfs/dbraw/zinc/60/61/96/584606196.db2.gz RBJBHHNWCMXCGW-GHMZBOCLSA-N 2 0 214.353 1.389 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC000902452763 584607975 /nfs/dbraw/zinc/60/79/75/584607975.db2.gz ALXMSNYGKOPUQW-ZDEQEGDKSA-N 2 0 226.364 1.519 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc3nonc3c2)C1 ZINC000902452809 584608268 /nfs/dbraw/zinc/60/82/68/584608268.db2.gz BDKBPNHJMBQWMO-WDEREUQCSA-N 2 0 246.314 1.582 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1NCC[N@@H+]1CCC(C)(C)C1 ZINC000902456380 584609960 /nfs/dbraw/zinc/60/99/60/584609960.db2.gz OMMUHHKQWYTZDT-CHWSQXEVSA-N 2 0 239.407 1.306 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc2nonc2c1 ZINC000902456501 584610210 /nfs/dbraw/zinc/61/02/10/584610210.db2.gz PJZXFSUJIJBNJT-IUCAKERBSA-N 2 0 234.303 1.438 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000902456799 584610512 /nfs/dbraw/zinc/61/05/12/584610512.db2.gz PPTAVEVIUQPNJB-KYTCRMMBSA-N 2 0 238.375 1.517 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@]12C[C@H]1COC21CCC1 ZINC000902461734 584611694 /nfs/dbraw/zinc/61/16/94/584611694.db2.gz QKNXHNAJPATXOQ-UMSGYPCISA-N 2 0 236.359 1.415 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C[C@]12C[C@H]1COC21CCC1 ZINC000902462325 584612433 /nfs/dbraw/zinc/61/24/33/584612433.db2.gz UPYMUJRYSVNCKP-FVCCEPFGSA-N 2 0 238.375 1.661 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@]12C[C@H]1COC21CCC1 ZINC000902462328 584612536 /nfs/dbraw/zinc/61/25/36/584612536.db2.gz UPYMUJRYSVNCKP-ZDEQEGDKSA-N 2 0 238.375 1.661 20 0 BDADRP C[C@H](CC1CCOCC1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902464423 584613050 /nfs/dbraw/zinc/61/30/50/584613050.db2.gz CAYOQHYQISWTAA-YXCITZCRSA-N 2 0 238.375 1.674 20 0 BDADRP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@H]1CC1(C)C ZINC000902464788 584613301 /nfs/dbraw/zinc/61/33/01/584613301.db2.gz CPXVQSGEWPPYEL-PZWNZHSQSA-N 2 0 208.349 1.904 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C1CC[NH+](C)CC1 ZINC000902467235 584614534 /nfs/dbraw/zinc/61/45/34/584614534.db2.gz NWSJJXBUOQXJRJ-SCUASFONSA-N 3 0 237.391 1.199 20 0 BDADRP CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902470647 584616730 /nfs/dbraw/zinc/61/67/30/584616730.db2.gz ZHLKRBOALATZSU-KIJLLGNVSA-N 2 0 208.349 1.904 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902470230 584616938 /nfs/dbraw/zinc/61/69/38/584616938.db2.gz VAKXACDOENEBQG-QSLWVIQJSA-N 2 0 238.375 1.674 20 0 BDADRP CC(C)[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C1CC1 ZINC000902471951 584617527 /nfs/dbraw/zinc/61/75/27/584617527.db2.gz VGXSIXXNCPMDCR-UMSGYPCISA-N 2 0 208.349 1.904 20 0 BDADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000902490104 584617676 /nfs/dbraw/zinc/61/76/76/584617676.db2.gz SDZMIULOZYXGBP-DMTCVQMQSA-N 3 0 231.343 1.458 20 0 BDADRP C[C@H](CC1CCOCC1)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902491708 584617990 /nfs/dbraw/zinc/61/79/90/584617990.db2.gz YSJDNBYBTLFWIU-RAIGVLPGSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccncc1 ZINC000902490809 584618271 /nfs/dbraw/zinc/61/82/71/584618271.db2.gz UBYNCSBQDJYGDV-CKYFFXLPSA-N 2 0 205.305 1.470 20 0 BDADRP COc1ccccc1C[C@@H](C)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902490503 584618348 /nfs/dbraw/zinc/61/83/48/584618348.db2.gz VRMCPRVUCCNCON-YRGRVCCFSA-N 2 0 248.370 1.953 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CC[C@H](O)C2CC2)C1 ZINC000902501456 584620385 /nfs/dbraw/zinc/62/03/85/584620385.db2.gz BJZNXFRBKSHWCK-OLZOCXBDSA-N 2 0 240.391 1.515 20 0 BDADRP O[C@@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000902503863 584621268 /nfs/dbraw/zinc/62/12/68/584621268.db2.gz LJPRBSSSGJNUMH-HNGCFSAESA-N 2 0 224.348 1.020 20 0 BDADRP O[C@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000902503864 584621373 /nfs/dbraw/zinc/62/13/73/584621373.db2.gz LJPRBSSSGJNUMH-ZGVCCVRISA-N 2 0 224.348 1.020 20 0 BDADRP COCCC[C@@H](C)[NH2+]C[C@@H]1CCCCC[NH2+]1 ZINC000902481950 584624005 /nfs/dbraw/zinc/62/40/05/584624005.db2.gz IPYXPEKUAFNEQI-OLZOCXBDSA-N 2 0 228.380 1.923 20 0 BDADRP C[C@]12C[C@H]1CCC[C@H]2[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902483722 584624607 /nfs/dbraw/zinc/62/46/07/584624607.db2.gz AGGNPAXVABIVFH-VEGXAWMVSA-N 2 0 208.349 1.892 20 0 BDADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2CCCc3cccnc32)C1 ZINC000902483785 584624631 /nfs/dbraw/zinc/62/46/31/584624631.db2.gz BSNIVWGFVKEBKF-RAIGVLPGSA-N 2 0 231.343 1.786 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCCCC[NH2+]1 ZINC000902484967 584624642 /nfs/dbraw/zinc/62/46/42/584624642.db2.gz XPWXGMULNIQTIL-CHWSQXEVSA-N 3 0 227.396 1.626 20 0 BDADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H]2CCC23CCOCC3)C1 ZINC000902485729 584625357 /nfs/dbraw/zinc/62/53/57/584625357.db2.gz NDHMTUOLEDAPHM-SRVKXCTJSA-N 2 0 224.348 1.273 20 0 BDADRP Cc1nc([C@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)cs1 ZINC000902485401 584625404 /nfs/dbraw/zinc/62/54/04/584625404.db2.gz KIXWMZKSKMUOQA-HGNGGELXSA-N 2 0 225.361 1.839 20 0 BDADRP CC[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1nccn1C ZINC000902487096 584625945 /nfs/dbraw/zinc/62/59/45/584625945.db2.gz JPWCRYQDILRRTM-DCAQKATOSA-N 2 0 222.336 1.198 20 0 BDADRP CC(C)n1cc([C@@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)cn1 ZINC000902486582 584626230 /nfs/dbraw/zinc/62/62/30/584626230.db2.gz HGROIKKRLVPSCZ-NQBHXWOUSA-N 2 0 236.363 1.852 20 0 BDADRP Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)o1 ZINC000902488477 584626419 /nfs/dbraw/zinc/62/64/19/584626419.db2.gz MTRGWEOPTNOIEE-GMTAPVOTSA-N 2 0 208.305 1.976 20 0 BDADRP Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902487651 584626425 /nfs/dbraw/zinc/62/64/25/584626425.db2.gz LJGGHLAHWAFDLJ-HGNGGELXSA-N 2 0 208.309 1.106 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000902516554 584630141 /nfs/dbraw/zinc/63/01/41/584630141.db2.gz DJPZKDFVJSWXPW-RDBQEKCUSA-N 2 0 234.343 1.360 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1COC[C@@H]1C1CC1 ZINC000902518155 584630916 /nfs/dbraw/zinc/63/09/16/584630916.db2.gz LCOZYAZPXHWGBE-RFQIPJPRSA-N 2 0 238.375 1.519 20 0 BDADRP CO[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000903185120 584733612 /nfs/dbraw/zinc/73/36/12/584733612.db2.gz HPENKQFQIGMGDM-MELADBBJSA-N 2 0 240.391 1.875 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000903195805 584734510 /nfs/dbraw/zinc/73/45/10/584734510.db2.gz ATCFSEUBDIQBCI-YVECIDJPSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)CCN1C ZINC000903266145 584741193 /nfs/dbraw/zinc/74/11/93/584741193.db2.gz UDAZZPVCYSWMMR-DEQVHRJGSA-N 2 0 238.375 1.626 20 0 BDADRP CC[N@H+](C[C@@H]1CCOC1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903430822 584761675 /nfs/dbraw/zinc/76/16/75/584761675.db2.gz CXKSJPHGKWQURH-AGIUHOORSA-N 2 0 226.364 1.200 20 0 BDADRP Cn1nccc1[C@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000903421123 584763569 /nfs/dbraw/zinc/76/35/69/584763569.db2.gz QGIYNSYKNCRMQB-CQSZACIVSA-N 2 0 248.374 1.557 20 0 BDADRP C[C@H](c1ncccn1)[NH+]1CCC(C[NH3+])CC1 ZINC000903422032 584763880 /nfs/dbraw/zinc/76/38/80/584763880.db2.gz UAJZPVUSGYZUDZ-SNVBAGLBSA-N 2 0 220.320 1.208 20 0 BDADRP CC(C)CO[C@H]1CC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903441490 584764022 /nfs/dbraw/zinc/76/40/22/584764022.db2.gz USVTZVYEAUNTRU-RDBSUJKOSA-N 2 0 240.391 1.589 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[NH2+]Cc2ccccc21 ZINC000903423593 584764193 /nfs/dbraw/zinc/76/41/93/584764193.db2.gz XUUUZBICOQDJDT-OCCSQVGLSA-N 2 0 245.370 1.452 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000903422342 584764596 /nfs/dbraw/zinc/76/45/96/584764596.db2.gz YZNXESREWWWVGL-YFKTTZPYSA-N 2 0 244.329 1.948 20 0 BDADRP C[C@@H]1C[C@H](C)N(C[C@H]2CCC[NH2+]2)C[C@H]1C[NH3+] ZINC000903459588 584766176 /nfs/dbraw/zinc/76/61/76/584766176.db2.gz LREFBHYGGPBBCC-YVECIDJPSA-N 2 0 225.380 1.044 20 0 BDADRP COC[C@@H](C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1)C(C)C ZINC000903459274 584766178 /nfs/dbraw/zinc/76/61/78/584766178.db2.gz FTXNQURCJJPIJF-ZIAGYGMSSA-N 2 0 240.391 1.733 20 0 BDADRP c1ccc([C@H]2C[NH2+]CCN2C[C@H]2CCC[NH2+]2)cc1 ZINC000903459456 584766187 /nfs/dbraw/zinc/76/61/87/584766187.db2.gz TYGVBJOEXWCUDR-HUUCEWRRSA-N 2 0 245.370 1.385 20 0 BDADRP [NH3+][C@@H]1CC[C@H](CN2C[C@@H]([NH3+])Cc3ccccc32)C1 ZINC000903460038 584766947 /nfs/dbraw/zinc/76/69/47/584766947.db2.gz VCERUTGUWWTENJ-YUTCNCBUSA-N 2 0 245.370 1.504 20 0 BDADRP CC[C@@H]1C[C@H]1C[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000903464939 584767273 /nfs/dbraw/zinc/76/72/73/584767273.db2.gz ZWKZIOGTECERQO-MROQNXINSA-N 2 0 208.349 1.846 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000903444729 584769727 /nfs/dbraw/zinc/76/97/27/584769727.db2.gz VMXGHARJWKZLER-RFGFWPKPSA-N 2 0 239.407 1.256 20 0 BDADRP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)CCN1C ZINC000903444251 584769761 /nfs/dbraw/zinc/76/97/61/584769761.db2.gz QYTHUZANOOOYMO-MQYQWHSLSA-N 2 0 239.407 1.528 20 0 BDADRP C[C@@]1(C[NH3+])CC[N@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000903453093 584772729 /nfs/dbraw/zinc/77/27/29/584772729.db2.gz ZBMBXEISQQMUOC-USZNOCQGSA-N 2 0 244.329 1.948 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000903453720 584772821 /nfs/dbraw/zinc/77/28/21/584772821.db2.gz JRQYZUMSUZHEPW-MJBXVCDLSA-N 3 0 237.391 1.189 20 0 BDADRP CCN1C[C@@H](C)[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H]1C ZINC000903455336 584773935 /nfs/dbraw/zinc/77/39/35/584773935.db2.gz UPTDOFRXUZZLCS-DGAVXFQQSA-N 2 0 239.407 1.528 20 0 BDADRP COC(=O)C[C@H]1CCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903455538 584774283 /nfs/dbraw/zinc/77/42/83/584774283.db2.gz ZEDDBFPAENQCFB-GRYCIOLGSA-N 2 0 240.347 1.141 20 0 BDADRP C([NH2+][C@H]1CC[NH2+]C12CCC2)[C@@H]1C[C@@]12CCOC2 ZINC000903470943 584775452 /nfs/dbraw/zinc/77/54/52/584775452.db2.gz DXZFKHZQLVTVFB-RWMBFGLXSA-N 2 0 236.359 1.287 20 0 BDADRP C[NH2+]C[C@H]1CCCCN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903482798 584778823 /nfs/dbraw/zinc/77/88/23/584778823.db2.gz TXRSVUIJRPMEAQ-FRRDWIJNSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cccnc2N)C[C@H]1CC[NH3+] ZINC000903498543 584780139 /nfs/dbraw/zinc/78/01/39/584780139.db2.gz JVLYKCZQFRKGAQ-GHMZBOCLSA-N 2 0 234.347 1.081 20 0 BDADRP CC(C)(C)OC[C@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000903563676 584782008 /nfs/dbraw/zinc/78/20/08/584782008.db2.gz IOEFPVSRINWHQK-CHWSQXEVSA-N 2 0 240.391 1.875 20 0 BDADRP Cn1ccc([C@H]2CCC[N@H+](C[C@H]3CC[NH2+]C3)C2)n1 ZINC000903564449 584782311 /nfs/dbraw/zinc/78/23/11/584782311.db2.gz VESXEJAJHDNAAO-STQMWFEESA-N 2 0 248.374 1.209 20 0 BDADRP CC[NH+](CC)CCCN1C[C@H]([NH3+])C(C)(C)C1 ZINC000903557776 584783079 /nfs/dbraw/zinc/78/30/79/584783079.db2.gz QACRTDNOUULOQD-LBPRGKRZSA-N 2 0 227.396 1.387 20 0 BDADRP CC1(C)C[N@H+](CC[C@H]2CCC[NH2+]C2)C[C@H]1N ZINC000903558877 584783152 /nfs/dbraw/zinc/78/31/52/584783152.db2.gz SFSKPGPOTJFZLK-VXGBXAGGSA-N 2 0 225.380 1.045 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](Cc2ccccc2CF)C1 ZINC000903717060 584792102 /nfs/dbraw/zinc/79/21/02/584792102.db2.gz YNWNSPQICOTZGU-LLVKDONJSA-N 2 0 222.307 1.937 20 0 BDADRP C[C@@H]1CCC[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903717550 584792418 /nfs/dbraw/zinc/79/24/18/584792418.db2.gz ROUROUUMKJIFMA-MCIONIFRSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903727360 584792996 /nfs/dbraw/zinc/79/29/96/584792996.db2.gz SWBSTAGQSPXHFG-FRRDWIJNSA-N 2 0 224.348 1.097 20 0 BDADRP [NH3+]CC1CC[NH+](C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903713113 584793717 /nfs/dbraw/zinc/79/37/17/584793717.db2.gz FLKLXMXAPFKEQR-CYBMUJFWSA-N 3 0 225.380 1.047 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](C)N1C[C@@H]1CCCC[NH2+]C1 ZINC000903745779 584794376 /nfs/dbraw/zinc/79/43/76/584794376.db2.gz QWUABSSKLKOQGR-FRRDWIJNSA-N 2 0 225.380 1.058 20 0 BDADRP [NH3+]CC[C@@H]1CCCCN1C[C@H]1CCCC[NH2+]C1 ZINC000903749901 584794806 /nfs/dbraw/zinc/79/48/06/584794806.db2.gz RWIYYNXHZFERBV-KBPBESRZSA-N 2 0 239.407 1.579 20 0 BDADRP CC[C@@H]1CN(C[C@H]2CCCC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000903747072 584795088 /nfs/dbraw/zinc/79/50/88/584795088.db2.gz OWWVEZPIHQXNGJ-MJBXVCDLSA-N 2 0 239.407 1.435 20 0 BDADRP OC1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000903751242 584795347 /nfs/dbraw/zinc/79/53/47/584795347.db2.gz GUMSPNGRJGMUPM-UHFFFAOYSA-N 2 0 226.364 1.223 20 0 BDADRP OC1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000903752714 584795718 /nfs/dbraw/zinc/79/57/18/584795718.db2.gz UQSDSNQHUBENIV-UHFFFAOYSA-N 2 0 246.354 1.289 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]1NC[C@@H]1CCCC[NH2+]C1 ZINC000903752954 584796212 /nfs/dbraw/zinc/79/62/12/584796212.db2.gz QOHGOCJTIZQGFG-CHWSQXEVSA-N 2 0 239.407 1.354 20 0 BDADRP C[N@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C(C)(C)C ZINC000903763451 584797169 /nfs/dbraw/zinc/79/71/69/584797169.db2.gz KAHQFSZNWMAPRL-AAEUAGOBSA-N 2 0 226.364 1.485 20 0 BDADRP CC1CC(C[NH+]2CCC3(CC[NH2+]3)CC2)C1 ZINC000903761539 584797395 /nfs/dbraw/zinc/79/73/95/584797395.db2.gz VSWGCYMADWXFDP-UHFFFAOYSA-N 2 0 208.349 1.860 20 0 BDADRP C([C@@H]1CCCC[NH2+]C1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000903761002 584797669 /nfs/dbraw/zinc/79/76/69/584797669.db2.gz MQSQTKVSRBBXSE-KGLIPLIRSA-N 2 0 237.391 1.204 20 0 BDADRP [NH3+][C@]12CCC[C@@H]1CN(C[C@H]1CCCC[NH2+]C1)C2 ZINC000903770339 584798374 /nfs/dbraw/zinc/79/83/74/584798374.db2.gz XAFJOWMIZWOGPO-MJBXVCDLSA-N 2 0 237.391 1.189 20 0 BDADRP [NH3+]C[C@@]12CC[C@H]1CCCN2C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903805942 584802749 /nfs/dbraw/zinc/80/27/49/584802749.db2.gz SLGIZWQCPHAZBS-MQYQWHSLSA-N 2 0 237.391 1.317 20 0 BDADRP C[C@@H]1CCOCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000903831912 584806161 /nfs/dbraw/zinc/80/61/61/584806161.db2.gz NQZKZBXFYYKXME-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCCSC[C@@H]1C ZINC000903832869 584806338 /nfs/dbraw/zinc/80/63/38/584806338.db2.gz SDSMDSTYSMQLCE-WOPDTQHZSA-N 2 0 228.405 1.669 20 0 BDADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC1CC[NH2+]CC1)C2 ZINC000903843609 584807641 /nfs/dbraw/zinc/80/76/41/584807641.db2.gz OKMPBCPDQWNQJT-MJBXVCDLSA-N 3 0 237.391 1.188 20 0 BDADRP NC[C@]12CC[C@H]1CC[N@@H+]2CC[C@@H]1CCC[NH2+]C1 ZINC000903857945 584809991 /nfs/dbraw/zinc/80/99/91/584809991.db2.gz GXKZYHDUBMWFCZ-MELADBBJSA-N 2 0 237.391 1.189 20 0 BDADRP COC[C@H](C[N@@H+]1CCC[C@@]12CC[NH2+]C2)C(C)C ZINC000903869270 584814612 /nfs/dbraw/zinc/81/46/12/584814612.db2.gz FTKWEVVAULZXBN-KBPBESRZSA-N 2 0 240.391 1.733 20 0 BDADRP C([C@H]1CCCC[NH2+]C1)N1CCC[C@@]12CC[NH2+]C2 ZINC000903869638 584814663 /nfs/dbraw/zinc/81/46/63/584814663.db2.gz JGJNJXNYQWTAND-KBPBESRZSA-N 2 0 237.391 1.204 20 0 BDADRP [NH3+][C@H](CC(F)F)C[N@H+](CCO)C1CCCC1 ZINC000903872025 584815086 /nfs/dbraw/zinc/81/50/86/584815086.db2.gz AXGYEEOVFUYLLA-SECBINFHSA-N 2 0 236.306 1.206 20 0 BDADRP CC(C)CC[C@@H](O)CN1CCC[C@]12CC[NH2+]C2 ZINC000903871412 584815195 /nfs/dbraw/zinc/81/51/95/584815195.db2.gz UEZVTYBOIKBLDM-ZIAGYGMSSA-N 2 0 240.391 1.611 20 0 BDADRP CC[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903872182 584815403 /nfs/dbraw/zinc/81/54/03/584815403.db2.gz WXZRITUJMLRAAM-AGIUHOORSA-N 2 0 208.349 1.860 20 0 BDADRP CCCN(C[C@@H]([NH3+])CC(F)F)[C@@H]1CC[NH2+]C1 ZINC000903873836 584815707 /nfs/dbraw/zinc/81/57/07/584815707.db2.gz MOMMSLJZAFVHNK-VHSXEESVSA-N 2 0 235.322 1.043 20 0 BDADRP C[NH2+]C1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903873805 584815889 /nfs/dbraw/zinc/81/58/89/584815889.db2.gz MFRFXWMNQYOUIT-QXMXGUDHSA-N 3 0 237.391 1.201 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903873523 584815909 /nfs/dbraw/zinc/81/59/09/584815909.db2.gz JBWFXBXASMWHBN-GSPSYOTPSA-N 3 0 237.391 1.201 20 0 BDADRP [NH3+][C@H](CC(F)F)CN1CCC(CCO)CC1 ZINC000903878413 584816481 /nfs/dbraw/zinc/81/64/81/584816481.db2.gz JAUOYJFPVIYIQA-SNVBAGLBSA-N 2 0 236.306 1.063 20 0 BDADRP CCC[C@](C)(CO)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903898913 584820594 /nfs/dbraw/zinc/82/05/94/584820594.db2.gz PFRFTCNCDJNXNY-WTUNAVPPSA-N 2 0 240.391 1.658 20 0 BDADRP CC(C)[C@@H]1C[N@H+](C)CCN1C[C@H]([NH3+])CC(F)F ZINC000903903561 584821333 /nfs/dbraw/zinc/82/13/33/584821333.db2.gz VRDYRVXZDFZBCC-MNOVXSKESA-N 2 0 249.349 1.241 20 0 BDADRP CC(C)(C)[C@H](CO)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903908983 584822076 /nfs/dbraw/zinc/82/20/76/584822076.db2.gz QKLNBPWHAMGAOI-WVMKXHBISA-N 2 0 240.391 1.514 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H](N)CC(F)F ZINC000903918611 584822368 /nfs/dbraw/zinc/82/23/68/584822368.db2.gz CQCGSQJZZWKEQF-IUCAKERBSA-N 2 0 223.311 1.076 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903921018 584822986 /nfs/dbraw/zinc/82/29/86/584822986.db2.gz ZWVQSWXURXXACD-JWURUJNWSA-N 3 0 237.391 1.105 20 0 BDADRP [NH3+][C@H](C[NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)CC(F)F ZINC000903920238 584823222 /nfs/dbraw/zinc/82/32/22/584823222.db2.gz HOZNDOGJWCHHTH-MMWGEVLESA-N 2 0 248.317 1.516 20 0 BDADRP Cc1noc(C)c1C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903922417 584823730 /nfs/dbraw/zinc/82/37/30/584823730.db2.gz WVILGXBSOUYVBD-YHWZYXNKSA-N 2 0 249.358 1.912 20 0 BDADRP COCCC[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903927439 584824483 /nfs/dbraw/zinc/82/44/83/584824483.db2.gz RSUZTRPLKKFMHO-YOGCLGLASA-N 2 0 212.337 1.143 20 0 BDADRP CCn1nccc1C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903933085 584825229 /nfs/dbraw/zinc/82/52/29/584825229.db2.gz KTKKXAMTELLEIY-YHWZYXNKSA-N 2 0 248.374 1.523 20 0 BDADRP COC[C@@H](CC(C)C)[NH2+]CCC(C)(C)[NH3+] ZINC000903939419 584825319 /nfs/dbraw/zinc/82/53/19/584825319.db2.gz GUYHQMLBJSUUHW-LLVKDONJSA-N 2 0 216.369 1.765 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CN1 ZINC000903934420 584825754 /nfs/dbraw/zinc/82/57/54/584825754.db2.gz GUPQGTSLGDGGEW-RKFYDKJMSA-N 2 0 237.391 1.247 20 0 BDADRP CC(C)([NH3+])CC[NH2+]Cc1cnc2ccccn12 ZINC000903938830 584826807 /nfs/dbraw/zinc/82/68/07/584826807.db2.gz MJUAROXWHCANMJ-UHFFFAOYSA-N 2 0 232.331 1.551 20 0 BDADRP [NH3+][C@H](CNC[C@@H]([NH3+])c1ccccc1)CC(F)F ZINC000903918047 584826860 /nfs/dbraw/zinc/82/68/60/584826860.db2.gz QYPUHQUBVTYHMG-WDEREUQCSA-N 2 0 243.301 1.259 20 0 BDADRP CCCC[C@@H](CN)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903917484 584827197 /nfs/dbraw/zinc/82/71/97/584827197.db2.gz MGYKLTRFZDTFHM-GSPSYOTPSA-N 2 0 239.407 1.624 20 0 BDADRP [NH3+][C@@H](CC(F)F)CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000903916273 584827267 /nfs/dbraw/zinc/82/72/67/584827267.db2.gz GNIUNJRWSVKPQB-CMPLNLGQSA-N 2 0 247.333 1.044 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cnc3cnccn23)C1 ZINC000903959451 584827482 /nfs/dbraw/zinc/82/74/82/584827482.db2.gz IGQPOMKXBMWBSN-MNOVXSKESA-N 2 0 245.330 1.089 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1CCSC1 ZINC000903967061 584834338 /nfs/dbraw/zinc/83/43/38/584834338.db2.gz FUMFZASYBHIFNQ-VWYCJHECSA-N 2 0 214.378 1.185 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000903966745 584834471 /nfs/dbraw/zinc/83/44/71/584834471.db2.gz AWTOWWIGJDEELS-RQJABVFESA-N 2 0 240.391 1.635 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(F)cc1 ZINC000903965182 584834509 /nfs/dbraw/zinc/83/45/09/584834509.db2.gz ZIPAEACKDWQDHI-PWSUYJOCSA-N 2 0 222.307 1.771 20 0 BDADRP COc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)ccc1C ZINC000903968030 584835016 /nfs/dbraw/zinc/83/50/16/584835016.db2.gz PTZRXYWYJMDGSD-OCCSQVGLSA-N 2 0 248.370 1.949 20 0 BDADRP COC(=O)C(C)(C)CC[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903967101 584835125 /nfs/dbraw/zinc/83/51/25/584835125.db2.gz GWXZTDYJUYZOGE-GHMZBOCLSA-N 2 0 242.363 1.021 20 0 BDADRP CC(C)(C)[NH2+]CCN1C[C@H]([NH3+])C(C)(C)C1 ZINC000903986640 584835642 /nfs/dbraw/zinc/83/56/42/584835642.db2.gz OJGQBKMFGNNFCQ-JTQLQIEISA-N 2 0 213.369 1.044 20 0 BDADRP CC[C@H]1C[C@H](C[N@@H+]2CCC[C@H]([NH3+])C2)CCO1 ZINC000903984670 584835667 /nfs/dbraw/zinc/83/56/67/584835667.db2.gz QSUKYNCTVXFONZ-AGIUHOORSA-N 2 0 226.364 1.615 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1C[C@H]([NH3+])C(C)(C)C1 ZINC000903986039 584835679 /nfs/dbraw/zinc/83/56/79/584835679.db2.gz DYBIYDYKGSXSHS-MNOVXSKESA-N 2 0 213.369 1.029 20 0 BDADRP C[C@H](C[NH3+])N(C)C[C@H]([NH3+])CCC(C)(C)C ZINC000904299904 584860442 /nfs/dbraw/zinc/86/04/42/584860442.db2.gz QZRLFHGQLVPOHN-GHMZBOCLSA-N 2 0 215.385 1.419 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC000904299706 584860457 /nfs/dbraw/zinc/86/04/57/584860457.db2.gz MDDHFADAUOGDAY-IUODEOHRSA-N 3 0 247.386 1.705 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc(C[NH3+])cc2)CC1 ZINC000904299631 584860471 /nfs/dbraw/zinc/86/04/71/584860471.db2.gz KBBMLHPPNNGXOD-GFCCVEGCSA-N 3 0 247.386 1.705 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CN1CC[C@H](C[NH3+])C1 ZINC000904300070 584860829 /nfs/dbraw/zinc/86/08/29/584860829.db2.gz VFTDNPRTEAQJMH-NEPJUHHUSA-N 2 0 227.396 1.421 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCN(C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904300828 584861079 /nfs/dbraw/zinc/86/10/79/584861079.db2.gz BURZKLFXYDKOCF-RWMBFGLXSA-N 2 0 225.380 1.045 20 0 BDADRP CC1(C)C[NH2+]CCN1Cc1ccc(C[NH3+])cc1 ZINC000904301276 584861160 /nfs/dbraw/zinc/86/11/60/584861160.db2.gz JMQMIMTUTRMTLE-UHFFFAOYSA-N 2 0 233.359 1.329 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CN1CCC[C@H](CO)C1 ZINC000904301319 584861245 /nfs/dbraw/zinc/86/12/45/584861245.db2.gz KKNKHZYJAODIIU-QWHCGFSZSA-N 2 0 242.407 1.844 20 0 BDADRP C[NH2+][C@@H]1CCCN(C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC000904300218 584861327 /nfs/dbraw/zinc/86/13/27/584861327.db2.gz ZAYIVUCNBVNHQI-QWHCGFSZSA-N 2 0 241.423 1.824 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CN1CC[C@H]([NH3+])C1 ZINC000904300180 584861328 /nfs/dbraw/zinc/86/13/28/584861328.db2.gz YEUAKWSKWUOQIP-MNOVXSKESA-N 2 0 213.369 1.173 20 0 BDADRP C[C@H]1[NH2+]CCN(Cc2ccc(C[NH3+])cc2)[C@@H]1C ZINC000904301721 584862061 /nfs/dbraw/zinc/86/20/61/584862061.db2.gz PQJKWSVTMGWJMI-VXGBXAGGSA-N 2 0 233.359 1.328 20 0 BDADRP CC[C@@H]1C[N@H+](Cc2ccc(C[NH3+])cc2)CC[C@H]1[NH3+] ZINC000904302055 584862131 /nfs/dbraw/zinc/86/21/31/584862131.db2.gz UKGMLMLWAAYOAT-HUUCEWRRSA-N 2 0 247.386 1.705 20 0 BDADRP CC[N@H+](C[C@H]1CCOC1)C[C@]1(C)CCC[NH2+]C1 ZINC000904310019 584862438 /nfs/dbraw/zinc/86/24/38/584862438.db2.gz UVZBZHNELGPPLF-ZIAGYGMSSA-N 2 0 240.391 1.735 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@@H]2c2ccccn2)C1 ZINC000904309890 584862801 /nfs/dbraw/zinc/86/28/01/584862801.db2.gz SCGOBIJADBFOIL-MBNYWOFBSA-N 2 0 231.343 1.956 20 0 BDADRP C[C@]1(C[N@H+](CCCCO)C2CC2)CCC[NH2+]C1 ZINC000904321377 584864110 /nfs/dbraw/zinc/86/41/10/584864110.db2.gz YDZWOXLVLCHIGV-AWEZNQCLSA-N 2 0 240.391 1.613 20 0 BDADRP C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H](CCO)c1ccccc1 ZINC000904321908 584864399 /nfs/dbraw/zinc/86/43/99/584864399.db2.gz KBRLBHAGMOGITJ-CFVMTHIKSA-N 2 0 248.370 1.779 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCc3ccccc3[C@H]2CO)C1 ZINC000904322303 584864853 /nfs/dbraw/zinc/86/48/53/584864853.db2.gz VXGJNXBLERISIA-OSAQELSMSA-N 2 0 246.354 1.315 20 0 BDADRP C[C@H](c1ccccn1)[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904329903 584866055 /nfs/dbraw/zinc/86/60/55/584866055.db2.gz UEWJOSHXBBIFDP-UTUOFQBUSA-N 2 0 219.332 1.812 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@]2(CO)CCc3ccccc32)C1 ZINC000904329467 584866236 /nfs/dbraw/zinc/86/62/36/584866236.db2.gz NWMINUYBWWHBRY-OSAQELSMSA-N 2 0 246.354 1.147 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC000904334350 584866519 /nfs/dbraw/zinc/86/65/19/584866519.db2.gz UEWSJCKFBWYEGE-AWEZNQCLSA-N 3 0 247.386 1.706 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H](C2CC2)O1 ZINC000904342342 584867149 /nfs/dbraw/zinc/86/71/49/584867149.db2.gz DQYVGDGOYRRUQZ-AAXDQBDMSA-N 2 0 224.348 1.223 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@H](C3CCOCC3)C2)C1 ZINC000904342321 584867235 /nfs/dbraw/zinc/86/72/35/584867235.db2.gz CXFUOFFTRBEXCP-FPMFFAJLSA-N 2 0 238.375 1.472 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCOCC3(CCCC3)C2)C1 ZINC000904345961 584868553 /nfs/dbraw/zinc/86/85/53/584868553.db2.gz NEYYOJXWWMYBST-BETUJISGSA-N 2 0 238.375 1.616 20 0 BDADRP C[NH2+]CCCNCc1cccc(C(=O)N(C)C)c1 ZINC000904352845 584870030 /nfs/dbraw/zinc/87/00/30/584870030.db2.gz DHHQEWLIKQDRAG-UHFFFAOYSA-N 2 0 249.358 1.088 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1 ZINC000904354600 584870425 /nfs/dbraw/zinc/87/04/25/584870425.db2.gz HGCFLBPQMIOFFA-OAHLLOKOSA-N 3 0 247.386 1.767 20 0 BDADRP C[C@@]1(C[NH2+][C@H]2CC23CC[NH2+]CC3)CCC[NH2+]C1 ZINC000904355415 584870666 /nfs/dbraw/zinc/87/06/66/584870666.db2.gz RGUDYMUMFXCAMB-QWHCGFSZSA-N 3 0 237.391 1.108 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]C[C@@H]([NH3+])CCC(C)(C)C ZINC000904355646 584871177 /nfs/dbraw/zinc/87/11/77/584871177.db2.gz VMQWGJAUVVYOFF-RYUDHWBXSA-N 3 0 229.412 1.857 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000904355870 584871496 /nfs/dbraw/zinc/87/14/96/584871496.db2.gz XENPCGVEINLRQC-KBPBESRZSA-N 3 0 233.359 1.362 20 0 BDADRP Cc1noc(C)c1C[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904359464 584871652 /nfs/dbraw/zinc/87/16/52/584871652.db2.gz OAZIOCLYYBQCNA-KPXOXKRLSA-N 2 0 237.347 1.549 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CN[C@@H]1CCCC[NH2+]C1 ZINC000904357859 584871921 /nfs/dbraw/zinc/87/19/21/584871921.db2.gz BZGXAHNODUMOKH-CHWSQXEVSA-N 2 0 241.423 1.872 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CN[C@H]1CC[NH2+]C1(C)C ZINC000904358765 584872302 /nfs/dbraw/zinc/87/23/02/584872302.db2.gz SNPNKARAAFDCSL-NEPJUHHUSA-N 2 0 241.423 1.870 20 0 BDADRP Cc1cccc2c1C[NH2+]CCN2C[C@H]1C[C@@H]([NH3+])C1 ZINC000904358555 584872386 /nfs/dbraw/zinc/87/23/86/584872386.db2.gz PMWQFUPAKVFEJW-BETUJISGSA-N 2 0 245.370 1.642 20 0 BDADRP C[C@@H]1CCN(C[C@@]2(C)CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000904371069 584873476 /nfs/dbraw/zinc/87/34/76/584873476.db2.gz IMTOJDCYYAUWQC-MCIONIFRSA-N 2 0 239.407 1.293 20 0 BDADRP C[C@@]1(CN2CCC3(CC[NH2+]3)CC2)CCC[NH2+]C1 ZINC000904374013 584873726 /nfs/dbraw/zinc/87/37/26/584873726.db2.gz YCJNEFXTEBHVCF-CYBMUJFWSA-N 2 0 237.391 1.204 20 0 BDADRP NC[C@@H]1c2ccccc2CC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904373055 584873939 /nfs/dbraw/zinc/87/39/39/584873939.db2.gz AJDYULMDXZLKDX-OSAQELSMSA-N 2 0 245.370 1.282 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC000904363914 584874318 /nfs/dbraw/zinc/87/43/18/584874318.db2.gz PNNKLEVNFBCQBM-KLPPZKSPSA-N 2 0 208.280 1.653 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000904363701 584874422 /nfs/dbraw/zinc/87/44/22/584874422.db2.gz MFTCJBJRPNMNBV-KGLIPLIRSA-N 2 0 242.407 1.763 20 0 BDADRP C[C@]1(CNCC2([NH3+])CCCC2)CCC[NH2+]C1 ZINC000904376786 584876148 /nfs/dbraw/zinc/87/61/48/584876148.db2.gz FMTRNXSZABIDJD-LBPRGKRZSA-N 2 0 225.380 1.237 20 0 BDADRP C[C@@H](C[NH2+]C1CC(C[NH3+])C1)c1ccccn1 ZINC000904376866 584876431 /nfs/dbraw/zinc/87/64/31/584876431.db2.gz GOKUEDRRTNYGHW-UNXYVOJBSA-N 2 0 219.332 1.512 20 0 BDADRP C[C@H]1C[NH+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H](C)C1(F)F ZINC000904380493 584876502 /nfs/dbraw/zinc/87/65/02/584876502.db2.gz MPSFRHREQKFZLJ-XWLWVQCSSA-N 2 0 232.318 1.947 20 0 BDADRP C[C@@H]1CC[C@@H](NC[C@]2(C)CCC[NH2+]C2)C[NH2+]1 ZINC000904380816 584876537 /nfs/dbraw/zinc/87/65/37/584876537.db2.gz HMOFUHBBNGJHQQ-JHJVBQTASA-N 2 0 225.380 1.106 20 0 BDADRP C[C@H]([NH3+])CN(C)C[C@H]([NH3+])CCC(C)(C)C ZINC000904380836 584876626 /nfs/dbraw/zinc/87/66/26/584876626.db2.gz HWRGIFCEVOPSKJ-WDEREUQCSA-N 2 0 215.385 1.419 20 0 BDADRP C[C@H](C[NH2+]C1CC(C[NH3+])C1)c1ccncc1 ZINC000904380921 584876799 /nfs/dbraw/zinc/87/67/99/584876799.db2.gz QCVVDFRWAXWRRN-XSRFYTQQSA-N 2 0 219.332 1.512 20 0 BDADRP C[N@H+](CCCCCC[NH3+])C[C@H]1C[C@@H]([NH3+])C1 ZINC000904383816 584877055 /nfs/dbraw/zinc/87/70/55/584877055.db2.gz DZRKOAJVIDNBIA-TXEJJXNPSA-N 3 0 213.369 1.175 20 0 BDADRP C[NH+](C)C1(C)CCC([NH2+]C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904384275 584877182 /nfs/dbraw/zinc/87/71/82/584877182.db2.gz IRTCUEQBHQXROY-VTXSZYRJSA-N 3 0 239.407 1.576 20 0 BDADRP COc1cccc2c1C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904381930 584877183 /nfs/dbraw/zinc/87/71/83/584877183.db2.gz YGNFHHGTBHWOTN-KLPPZKSPSA-N 2 0 232.327 1.748 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)C1 ZINC000904385334 584877974 /nfs/dbraw/zinc/87/79/74/584877974.db2.gz VQDGRUBBFHWAKV-WYUUTHIRSA-N 2 0 226.389 1.409 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000904385693 584878043 /nfs/dbraw/zinc/87/80/43/584878043.db2.gz BTIUWVKLSAPSCT-HZSPNIEDSA-N 3 0 237.391 1.189 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000904406274 584878464 /nfs/dbraw/zinc/87/84/64/584878464.db2.gz DRSJHKIMPNWPNL-QWHCGFSZSA-N 3 0 241.423 1.811 20 0 BDADRP C(=C\c1ccccc1)\CN1CC[NH2+]CC[NH2+]CC1 ZINC000904399077 584878654 /nfs/dbraw/zinc/87/86/54/584878654.db2.gz ZABIBCSZUFSMLT-DAXSKMNVSA-N 2 0 245.370 1.195 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cnc(N)s2)CC[C@@H]1C[NH3+] ZINC000904410288 584879263 /nfs/dbraw/zinc/87/92/63/584879263.db2.gz OACHMORCFNDFGG-RKDXNWHRSA-N 2 0 240.376 1.142 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cocn2)CC[C@H]1C[NH3+] ZINC000904411972 584879475 /nfs/dbraw/zinc/87/94/75/584879475.db2.gz YKDQRANDJBWHCO-ZJUUUORDSA-N 2 0 209.293 1.091 20 0 BDADRP Cc1ncsc1C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000904412403 584879559 /nfs/dbraw/zinc/87/95/59/584879559.db2.gz VHSVDSQSNCJDTO-KOLCDFICSA-N 2 0 239.388 1.868 20 0 BDADRP CCn1ccnc1C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000904412673 584879603 /nfs/dbraw/zinc/87/96/03/584879603.db2.gz WBSWLOUWKMDOSK-NWDGAFQWSA-N 2 0 236.363 1.320 20 0 BDADRP C([C@H]1CCSC1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420508 584882240 /nfs/dbraw/zinc/88/22/40/584882240.db2.gz RBEIZCVXEMCOCY-GRYCIOLGSA-N 2 0 226.389 1.281 20 0 BDADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H](O)C2CC2)CC1 ZINC000838969433 585082981 /nfs/dbraw/zinc/08/29/81/585082981.db2.gz XTWVLXZLTDSGHB-CHWSQXEVSA-N 2 0 226.364 1.173 20 0 BDADRP CCC(=O)CC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000753704676 585266547 /nfs/dbraw/zinc/26/65/47/585266547.db2.gz LXYDPTCROIVDOU-UHFFFAOYSA-N 2 0 226.364 1.629 20 0 BDADRP C[C@H](CCO)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000753767909 585268557 /nfs/dbraw/zinc/26/85/57/585268557.db2.gz GGYIOUJCQMVNIP-OLZOCXBDSA-N 2 0 228.380 1.611 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(CCF)CC1 ZINC000759346475 585370086 /nfs/dbraw/zinc/37/00/86/585370086.db2.gz IQMIWAZPCCYIRC-CYBMUJFWSA-N 2 0 243.370 1.058 20 0 BDADRP C[NH+](C)C1CCN(CC[NH+]2CCCC2)CC1 ZINC000760814800 585398011 /nfs/dbraw/zinc/39/80/11/585398011.db2.gz GINASMNGUBXMQZ-UHFFFAOYSA-N 2 0 225.380 1.108 20 0 BDADRP C[C@H]1CC[C@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000783213089 585831004 /nfs/dbraw/zinc/83/10/04/585831004.db2.gz UPGNTJCOMFVRBG-GXTWGEPZSA-N 2 0 239.407 1.401 20 0 BDADRP COC[C@H]1CCC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000788484018 585925460 /nfs/dbraw/zinc/92/54/60/585925460.db2.gz UQOJIVGLJMXITK-AWEZNQCLSA-N 2 0 240.391 1.687 20 0 BDADRP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)C1 ZINC000792199318 585997547 /nfs/dbraw/zinc/99/75/47/585997547.db2.gz DFTSVFIAAKJZDX-QJPTWQEYSA-N 2 0 242.363 1.258 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc[nH]c(=O)c1 ZINC000813325730 586600256 /nfs/dbraw/zinc/60/02/56/586600256.db2.gz JSQOUWZVMVPRBV-NWDGAFQWSA-N 2 0 249.358 1.780 20 0 BDADRP CSC(C)(C)C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000817898635 586834598 /nfs/dbraw/zinc/83/45/98/586834598.db2.gz IKTDKELPHVPBRW-DTWKUNHWSA-N 2 0 204.383 1.843 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCSC(F)(F)F ZINC000817888112 586831817 /nfs/dbraw/zinc/83/18/17/586831817.db2.gz ASGFXAGAGKLSME-RQJHMYQMSA-N 2 0 230.299 1.955 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCOc1cccnc1 ZINC000817891829 586832033 /nfs/dbraw/zinc/83/20/33/586832033.db2.gz HPVDKHYASUEZOD-WDEREUQCSA-N 2 0 223.320 1.176 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CCOc1cccnc1 ZINC000817892228 586832574 /nfs/dbraw/zinc/83/25/74/586832574.db2.gz LDFDZLAYXKJPIG-LBPRGKRZSA-N 2 0 237.347 1.568 20 0 BDADRP CCc1cc(C[NH2+][C@@H](C)CCCC[NH3+])[nH]n1 ZINC000817891543 586832620 /nfs/dbraw/zinc/83/26/20/586832620.db2.gz CQPRAPLQLKONOP-JTQLQIEISA-N 2 0 224.352 1.579 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCOc1cccnc1 ZINC000817894429 586833732 /nfs/dbraw/zinc/83/37/32/586833732.db2.gz YTEMFCZULAGTOQ-JSGCOSHPSA-N 2 0 249.358 1.568 20 0 BDADRP Cc1ccc([C@@H](O)C[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000817893775 586833755 /nfs/dbraw/zinc/83/37/55/586833755.db2.gz VNLLBRUOFYYKBD-RISCZKNCSA-N 2 0 234.343 1.226 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H](O)c1ccccc1 ZINC000817894320 586833851 /nfs/dbraw/zinc/83/38/51/586833851.db2.gz LLAKNQKJQUSKQS-DMDPSCGWSA-N 2 0 222.332 1.435 20 0 BDADRP CSCC[C@H](C)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000817894114 586834232 /nfs/dbraw/zinc/83/42/32/586834232.db2.gz BRHJXSWVENREKN-GUBZILKMSA-N 2 0 204.383 1.843 20 0 BDADRP CS[C@@H]1CC[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])C1 ZINC000817898065 586835475 /nfs/dbraw/zinc/83/54/75/586835475.db2.gz ZFGCFWMVZBDKMA-VPOLOUISSA-N 2 0 216.394 1.986 20 0 BDADRP C[C@H]1CCC[N@@H+]1CCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000817913654 586838921 /nfs/dbraw/zinc/83/89/21/586838921.db2.gz PNMXYOWBRRLMLB-RDBSUJKOSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]1CCC[N@@H+]1CCN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000817914724 586839108 /nfs/dbraw/zinc/83/91/08/586839108.db2.gz YGNRHIPSVMYXOI-MCIONIFRSA-N 2 0 239.407 1.578 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@]1(O)CCc2ccccc21 ZINC000817916313 586839864 /nfs/dbraw/zinc/83/98/64/586839864.db2.gz DFVFBEHRBJVXFB-RBSFLKMASA-N 2 0 246.354 1.290 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H](CCO)C2CC2)c2ccccc21 ZINC000817917785 586840531 /nfs/dbraw/zinc/84/05/31/586840531.db2.gz HTXSFSIJCBWTCK-QLFBSQMISA-N 2 0 246.354 1.882 20 0 BDADRP C[C@H]([NH2+]CC[C@@](C)(O)c1ccccc1)C1C[NH2+]C1 ZINC000817923945 586840971 /nfs/dbraw/zinc/84/09/71/586840971.db2.gz ITLMSBPKNRVUKD-SWLSCSKDSA-N 2 0 248.370 1.482 20 0 BDADRP Cc1ccc([C@@H](O)C[NH2+][C@H](C)C[C@H](C)[NH3+])cc1 ZINC000817926671 586841563 /nfs/dbraw/zinc/84/15/63/586841563.db2.gz RBFMTAFRCZXUAQ-SCRDCRAPSA-N 2 0 236.359 1.744 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(CC[NH3+])cc2)CCO1 ZINC000817948773 586846929 /nfs/dbraw/zinc/84/69/29/586846929.db2.gz LKFSOGINAJBZID-IUODEOHRSA-N 2 0 248.370 1.845 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817948557 586847102 /nfs/dbraw/zinc/84/71/02/586847102.db2.gz IAQBQBUZAIGQRL-VXGBXAGGSA-N 3 0 235.375 1.403 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCCc3n[nH]cc32)C1 ZINC000817970022 586856066 /nfs/dbraw/zinc/85/60/66/586856066.db2.gz JNWAIHLIPFLACX-SCVCMEIPSA-N 2 0 234.347 1.647 20 0 BDADRP CCn1nc(C)c(C[NH2+][C@H](C)CCCC[NH3+])n1 ZINC000818615842 586906693 /nfs/dbraw/zinc/90/66/93/586906693.db2.gz RIWYPSBKMACNQT-SNVBAGLBSA-N 2 0 239.367 1.214 20 0 BDADRP O[C@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)C1CC1 ZINC000819355005 586956387 /nfs/dbraw/zinc/95/63/87/586956387.db2.gz ONBRLSJXRIIDEB-CQSZACIVSA-N 2 0 238.375 1.364 20 0 BDADRP O[C@@H](C[NH2+]Cc1ccc2c[nH+]cn2c1)C1CC1 ZINC000819362166 586957071 /nfs/dbraw/zinc/95/70/71/586957071.db2.gz YTMAQPQFFHACLI-ZDUSSCGKSA-N 2 0 231.299 1.195 20 0 BDADRP CC[C@@H](NC(=O)C[NH+]1CCCC1)c1ncc[nH]1 ZINC000822007317 587149283 /nfs/dbraw/zinc/14/92/83/587149283.db2.gz GJYRLDKCGHAPMB-SNVBAGLBSA-N 2 0 236.319 1.073 20 0 BDADRP CC[C@H]1C[N@H+](CC)CCN1CC[NH+]1CCCC1 ZINC000831964686 587640131 /nfs/dbraw/zinc/64/01/31/587640131.db2.gz FQUZHTAUHHBUIO-AWEZNQCLSA-N 2 0 239.407 1.498 20 0 BDADRP [NH3+]CCCCCC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000832618569 587670219 /nfs/dbraw/zinc/67/02/19/587670219.db2.gz ADEWFNJUTBCZNU-ZDUSSCGKSA-N 2 0 249.358 1.322 20 0 BDADRP [NH3+]CCCCCCC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000832630619 587671017 /nfs/dbraw/zinc/67/10/17/587671017.db2.gz RVJSEMGJJYVCIU-LBPRGKRZSA-N 2 0 241.379 1.011 20 0 BDADRP C[C@@H]1CN(C(=O)CCCCCC[NH3+])CC[C@H]1[NH3+] ZINC000832737423 587681478 /nfs/dbraw/zinc/68/14/78/587681478.db2.gz UXBJNLLUOOIGCD-VXGBXAGGSA-N 2 0 241.379 1.091 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)CCCCCC[NH3+])C1 ZINC000834460361 587755619 /nfs/dbraw/zinc/75/56/19/587755619.db2.gz JCFIHBBSOMYRKI-NEPJUHHUSA-N 2 0 241.379 1.091 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000841035646 587937843 /nfs/dbraw/zinc/93/78/43/587937843.db2.gz LLJURNODLDVLSF-ZDCRXTMVSA-N 2 0 246.445 1.693 20 0 BDADRP CCCCC[C@H](C)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000841088390 587942968 /nfs/dbraw/zinc/94/29/68/587942968.db2.gz ZULYAENZMJQNLY-QWHCGFSZSA-N 2 0 228.380 1.923 20 0 BDADRP Cc1csc(C[NH2+][C@H]2CC23CC[NH2+]CC3)n1 ZINC000841079727 587944828 /nfs/dbraw/zinc/94/48/28/587944828.db2.gz MZRZNMZDIZTTBI-JTQLQIEISA-N 2 0 237.372 1.683 20 0 BDADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cccnc2Cl)C1 ZINC000841084437 587945470 /nfs/dbraw/zinc/94/54/70/587945470.db2.gz JKMHMTKHZBBIIL-GXSJLCMTSA-N 2 0 239.750 1.952 20 0 BDADRP CCC[NH2+][C@@H](C)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000841848438 587977434 /nfs/dbraw/zinc/97/74/34/587977434.db2.gz LQPKKRQQOKNKDL-UNXYVOJBSA-N 2 0 241.379 1.103 20 0 BDADRP CCCCOC(=O)CC[NH2+][C@H](CN)C(C)(C)C ZINC000842475087 588028937 /nfs/dbraw/zinc/02/89/37/588028937.db2.gz ILSCQCAKSQXZAU-LLVKDONJSA-N 2 0 244.379 1.683 20 0 BDADRP C[C@H]1CN(CCCCCCC[NH3+])CC[NH2+]1 ZINC000842473660 588029514 /nfs/dbraw/zinc/02/95/14/588029514.db2.gz UDCWCZVWRIRNFH-LBPRGKRZSA-N 2 0 213.369 1.189 20 0 BDADRP C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CCC([NH3+])CC1 ZINC000843055918 588077555 /nfs/dbraw/zinc/07/75/55/588077555.db2.gz RYBHDTVYCJLTPX-PNESKVBLSA-N 3 0 225.380 1.188 20 0 BDADRP CC[C@@](C)(CC(=O)OC)[NH2+]CC1CC[NH2+]CC1 ZINC000843065483 588078571 /nfs/dbraw/zinc/07/85/71/588078571.db2.gz FYHYDCPWURJIJJ-ZDUSSCGKSA-N 2 0 242.363 1.307 20 0 BDADRP [NH3+]CCCCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000843126887 588084295 /nfs/dbraw/zinc/08/42/95/588084295.db2.gz AUEMSXDACIIPCT-BFHYXJOUSA-N 3 0 239.407 1.483 20 0 BDADRP [NH3+]CCOc1ccc(NC[C@H]2CCC[NH2+]C2)cc1 ZINC000843126718 588084340 /nfs/dbraw/zinc/08/43/40/588084340.db2.gz VPCASVXDLMHEQW-LBPRGKRZSA-N 2 0 249.358 1.436 20 0 BDADRP CCn1ccnc1C[NH2+]CCCCCC[NH3+] ZINC000843126469 588084806 /nfs/dbraw/zinc/08/48/06/588084806.db2.gz GIUSAYBVZASDNQ-UHFFFAOYSA-N 2 0 224.352 1.512 20 0 BDADRP CCCCOC(=O)CC[NH+]1CCC(C[NH3+])CC1 ZINC000843345510 588101891 /nfs/dbraw/zinc/10/18/91/588101891.db2.gz RMUGJCJFDYYOMN-UHFFFAOYSA-N 2 0 242.363 1.391 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCCCCC[NH3+] ZINC000843344308 588101900 /nfs/dbraw/zinc/10/19/00/588101900.db2.gz VCWUSZXJDJFULE-GHMZBOCLSA-N 3 0 201.358 1.221 20 0 BDADRP [NH3+]CCCCCCCN1CCC[C@@H]([NH3+])C1 ZINC000843345359 588102089 /nfs/dbraw/zinc/10/20/89/588102089.db2.gz CLLATUSVTPGHTH-GFCCVEGCSA-N 2 0 213.369 1.319 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](CCCCCCC[NH3+])C1 ZINC000843349266 588102442 /nfs/dbraw/zinc/10/24/42/588102442.db2.gz QBRXOKBRJRSHTL-CYBMUJFWSA-N 3 0 227.396 1.437 20 0 BDADRP CCCCOC(=O)CC[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000843348333 588102519 /nfs/dbraw/zinc/10/25/19/588102519.db2.gz JWYWTZMZWJFRNJ-LLVKDONJSA-N 2 0 228.336 1.000 20 0 BDADRP C[N@H+](CCCCCCC[NH3+])C1CC([NH3+])C1 ZINC000843387399 588105551 /nfs/dbraw/zinc/10/55/51/588105551.db2.gz HBCXZRVMXFYZFB-UHFFFAOYSA-N 2 0 213.369 1.317 20 0 BDADRP CN(Cc1ccc2c(c1)COC2)[C@@H](C[NH3+])C1CC1 ZINC000843386337 588105713 /nfs/dbraw/zinc/10/57/13/588105713.db2.gz HCUUXJQXEDTHKM-HNNXBMFYSA-N 2 0 246.354 1.886 20 0 BDADRP CC(C)[C@H](C(=O)NCCCCCC[NH3+])[NH+](C)C ZINC000844200242 588173138 /nfs/dbraw/zinc/17/31/38/588173138.db2.gz PLOLYJXLJSRWBB-GFCCVEGCSA-N 2 0 243.395 1.208 20 0 BDADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC000844197685 588173146 /nfs/dbraw/zinc/17/31/46/588173146.db2.gz OKECKJASLWCBKM-VXGBXAGGSA-N 2 0 241.379 1.104 20 0 BDADRP CC[C@H]([NH3+])CNC(=O)CCCC[NH+]1CCCC1 ZINC000844197704 588173147 /nfs/dbraw/zinc/17/31/47/588173147.db2.gz PLXRNDLNNCLDRR-LBPRGKRZSA-N 2 0 241.379 1.106 20 0 BDADRP Cc1ccc(O)c(C[NH2+]CC2CC[NH+](C)CC2)n1 ZINC000105458803 588173987 /nfs/dbraw/zinc/17/39/87/588173987.db2.gz ITQCFYSZALJQGR-UHFFFAOYSA-N 2 0 249.358 1.527 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+]C[C@@H]1CCCOC1 ZINC000844904466 588219034 /nfs/dbraw/zinc/21/90/34/588219034.db2.gz MZYZBYQCUUWOGS-ZDUSSCGKSA-N 2 0 248.370 1.922 20 0 BDADRP Cc1ccc(C[NH2+]CCC2(C[NH3+])CC2)cn1 ZINC000844903672 588219035 /nfs/dbraw/zinc/21/90/35/588219035.db2.gz KBCZBJXRXSXOGB-UHFFFAOYSA-N 2 0 219.332 1.609 20 0 BDADRP CC(C)C[N@H+](C)CCC[NH2+]C[C@H]1CCCOC1 ZINC000845996416 588252965 /nfs/dbraw/zinc/25/29/65/588252965.db2.gz OHRQDSBRUAQFSA-CQSZACIVSA-N 2 0 242.407 1.981 20 0 BDADRP C[C@H]1CCC[N@H+](CCCCCC[NH3+])[C@H]1CN ZINC000846217430 588260517 /nfs/dbraw/zinc/26/05/17/588260517.db2.gz HJKAKZBOKBPDHZ-STQMWFEESA-N 2 0 227.396 1.565 20 0 BDADRP CC[NH2+]CC1CC[NH+](CCCCCC[NH3+])CC1 ZINC000846218425 588260682 /nfs/dbraw/zinc/26/06/82/588260682.db2.gz URMHPEZVKHYENK-UHFFFAOYSA-N 3 0 241.423 1.827 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](CCCCCC[NH3+])CC1 ZINC000846218560 588260775 /nfs/dbraw/zinc/26/07/75/588260775.db2.gz YPLKIJLOMLYMSW-LBPRGKRZSA-N 3 0 227.396 1.565 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](CCCCCC[NH3+])C1 ZINC000846218204 588260796 /nfs/dbraw/zinc/26/07/96/588260796.db2.gz UIKOLWMQXUZTHQ-LBPRGKRZSA-N 3 0 213.369 1.047 20 0 BDADRP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(CC(C)C)CC1 ZINC000846219060 588260993 /nfs/dbraw/zinc/26/09/93/588260993.db2.gz DZUSGLCBRLLQKK-CQSZACIVSA-N 2 0 242.407 1.715 20 0 BDADRP CC[C@H]1C[N@H+](CCCCCC[NH3+])CC[C@H]1[NH3+] ZINC000846220808 588261112 /nfs/dbraw/zinc/26/11/12/588261112.db2.gz VFBBNUKNPVROSP-QWHCGFSZSA-N 2 0 227.396 1.565 20 0 BDADRP [NH3+]CCCCCCN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000846222156 588261144 /nfs/dbraw/zinc/26/11/44/588261144.db2.gz AVZLVOPSMCESFP-ZDUSSCGKSA-N 2 0 225.380 1.333 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCCCCC[NH3+] ZINC000846220501 588261221 /nfs/dbraw/zinc/26/12/21/588261221.db2.gz RLARHIFASYOUIX-NEPJUHHUSA-N 2 0 213.369 1.175 20 0 BDADRP CC(C)(C)[C@H](CN)[NH2+]CCCCCC[NH3+] ZINC000846221139 588261346 /nfs/dbraw/zinc/26/13/46/588261346.db2.gz SXWYVLWIIKEKJB-NSHDSACASA-N 2 0 215.385 1.469 20 0 BDADRP C[C@H](CO)C1CC[NH+](CCCCCC[NH3+])CC1 ZINC000846225103 588261698 /nfs/dbraw/zinc/26/16/98/588261698.db2.gz ITAWXZQHRDIQHT-CYBMUJFWSA-N 2 0 242.407 1.846 20 0 BDADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CCF)C1 ZINC000846227759 588261914 /nfs/dbraw/zinc/26/19/14/588261914.db2.gz HDUNOFSXQZXOKI-GRYCIOLGSA-N 2 0 230.327 1.317 20 0 BDADRP Cc1ccccc1[C@H](O)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000848716968 588408078 /nfs/dbraw/zinc/40/80/78/588408078.db2.gz PFFBBGXBFUEPRP-VNHYZAJKSA-N 2 0 248.370 1.888 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2CC(C(F)F)C2)C1 ZINC000848923459 588421352 /nfs/dbraw/zinc/42/13/52/588421352.db2.gz KSKGPAQRBBIWIN-ALIZVPSGSA-N 2 0 232.318 1.960 20 0 BDADRP CC[NH+](CC)CCCNC(=[NH2+])NC1CCC1 ZINC000848980809 588423762 /nfs/dbraw/zinc/42/37/62/588423762.db2.gz NYDQYLQJDOSQCZ-UHFFFAOYSA-N 2 0 226.368 1.385 20 0 BDADRP CCN(CC)C(=[NH2+])NCCC[NH+]1CCCCC1 ZINC000848982579 588424531 /nfs/dbraw/zinc/42/45/31/588424531.db2.gz DACPHNMYFLHYFV-UHFFFAOYSA-N 2 0 240.395 1.729 20 0 BDADRP CCC(CC)[C@H](CNC(=[NH2+])N1CCC1)[NH+](C)C ZINC000848984233 588424776 /nfs/dbraw/zinc/42/47/76/588424776.db2.gz BNBPJTHIDBZBEM-LBPRGKRZSA-N 2 0 240.395 1.583 20 0 BDADRP CCN(CC)C(=[NH2+])NC[C@@H](C)[NH+]1CCCC1 ZINC000848986616 588425755 /nfs/dbraw/zinc/42/57/55/588425755.db2.gz MBXCYFJSBPMSEA-LLVKDONJSA-N 2 0 226.368 1.337 20 0 BDADRP CC[NH+](CC)[C@H](C)CNC(=[NH2+])NC1CCC1 ZINC000848986743 588425884 /nfs/dbraw/zinc/42/58/84/588425884.db2.gz ZRKKYSQKTLXFSJ-SNVBAGLBSA-N 2 0 226.368 1.383 20 0 BDADRP CC(C)NC(=[NH2+])NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000848987025 588426199 /nfs/dbraw/zinc/42/61/99/588426199.db2.gz GIFSMUSIVZLZDY-RYUDHWBXSA-N 2 0 240.395 1.772 20 0 BDADRP CC(C)NC(=[NH2+])NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000848987026 588426287 /nfs/dbraw/zinc/42/62/87/588426287.db2.gz GIFSMUSIVZLZDY-VXGBXAGGSA-N 2 0 240.395 1.772 20 0 BDADRP CNC(=[NH2+])NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000848989805 588426732 /nfs/dbraw/zinc/42/67/32/588426732.db2.gz BXIYNBOWXNUIBF-LLVKDONJSA-N 2 0 226.368 1.242 20 0 BDADRP CC[NH+]1CCC(CNC(=[NH2+])N(C)C2CC2)CC1 ZINC000848996411 588429143 /nfs/dbraw/zinc/42/91/43/588429143.db2.gz ZXIVSYNOBLSIFR-UHFFFAOYSA-N 2 0 238.379 1.337 20 0 BDADRP Cc1cccc(NC(=[NH2+])NCCN2CCC2)c1 ZINC000849014712 588436208 /nfs/dbraw/zinc/43/62/08/588436208.db2.gz UJWZIUDMHXFDAT-UHFFFAOYSA-N 2 0 232.331 1.637 20 0 BDADRP CCNC(=[NH2+])NCC1(C[NH+](C)C)CCCC1 ZINC000849019017 588438101 /nfs/dbraw/zinc/43/81/01/588438101.db2.gz ZZMXCZANPDQVDP-UHFFFAOYSA-N 2 0 226.368 1.242 20 0 BDADRP CCCNC(=[NH2+])NCCCCC[NH+]1CCCC1 ZINC000849033145 588444039 /nfs/dbraw/zinc/44/40/39/588444039.db2.gz CYDGFUFFVIRQSX-UHFFFAOYSA-N 2 0 240.395 1.776 20 0 BDADRP CC(C)C[N@H+](C)CCCNC(=[NH2+])NC(C)C ZINC000849046568 588450259 /nfs/dbraw/zinc/45/02/59/588450259.db2.gz JBIUFHIYVWRIDF-UHFFFAOYSA-N 2 0 228.384 1.487 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](CNC(=[NH2+])NC(C)(C)C)C1 ZINC000849049002 588451500 /nfs/dbraw/zinc/45/15/00/588451500.db2.gz LBNPAJYUBLMIHQ-AOOOYVTPSA-N 2 0 226.368 1.239 20 0 BDADRP CC(C)(C)N1CC[C@@H]1C[NH2+]C[C@H](O)C1CC1 ZINC000849325156 588472466 /nfs/dbraw/zinc/47/24/66/588472466.db2.gz CLDBXVAMGSZDCV-NEPJUHHUSA-N 2 0 226.364 1.220 20 0 BDADRP C[C@@H](CCO)[NH2+]C[C@H]1CCN1C(C)(C)C ZINC000850482243 588547487 /nfs/dbraw/zinc/54/74/87/588547487.db2.gz QWLFUBLNPLXYAC-WDEREUQCSA-N 2 0 214.353 1.220 20 0 BDADRP C[NH2+]CC1CC[NH+](CCOC(F)F)CC1 ZINC000852740400 588698364 /nfs/dbraw/zinc/69/83/64/588698364.db2.gz FGNLDSZOSKODNC-UHFFFAOYSA-N 2 0 222.279 1.157 20 0 BDADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCOC(F)F ZINC000852740702 588698689 /nfs/dbraw/zinc/69/86/89/588698689.db2.gz KGRRBEZGLHAADZ-VIFPVBQESA-N 2 0 224.295 1.531 20 0 BDADRP [NH3+]CCCOCC[NH2+]Cc1cccnc1Cl ZINC000863484726 589293036 /nfs/dbraw/zinc/29/30/36/589293036.db2.gz KVQQROBIWGKOHO-UHFFFAOYSA-N 2 0 243.738 1.190 20 0 BDADRP [NH3+]CCCOCC[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000863483495 589293054 /nfs/dbraw/zinc/29/30/54/589293054.db2.gz BUGTXPXGADYGGN-UHFFFAOYSA-N 2 0 248.330 1.018 20 0 BDADRP C([NH2+][C@@H]1CC[NH2+]C12CCC2)C1CCOCC1 ZINC000863483585 589293129 /nfs/dbraw/zinc/29/31/29/589293129.db2.gz XVQHTWKYRULPIA-GFCCVEGCSA-N 2 0 224.348 1.287 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)CCO1 ZINC000863483746 589293159 /nfs/dbraw/zinc/29/31/59/589293159.db2.gz ZRVVHVGFZLQSAX-JHJVBQTASA-N 2 0 238.375 1.676 20 0 BDADRP CC(C)[C@H]1CC[C@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000863540755 589296492 /nfs/dbraw/zinc/29/64/92/589296492.db2.gz HOIHJSMQMNVVTD-VXGBXAGGSA-N 2 0 226.364 1.519 20 0 BDADRP CC(C)[C@@H]1CC[C@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000863540751 589296719 /nfs/dbraw/zinc/29/67/19/589296719.db2.gz HOIHJSMQMNVVTD-NWDGAFQWSA-N 2 0 226.364 1.519 20 0 BDADRP COC(=O)C1=CC[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000863541453 589297413 /nfs/dbraw/zinc/29/74/13/589297413.db2.gz IXTBZLVADVWPDR-SRVKXCTJSA-N 2 0 238.331 1.108 20 0 BDADRP NC(=[NH2+])NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000864357989 589355546 /nfs/dbraw/zinc/35/55/46/589355546.db2.gz CNJMFAYMJRVXLI-LLVKDONJSA-N 2 0 224.352 1.267 20 0 BDADRP C[C@H]1C[C@@H]1NC(=[NH2+])NCC(C)(C)C[NH+](C)C ZINC000864451154 589364903 /nfs/dbraw/zinc/36/49/03/589364903.db2.gz DMIPCNNCTBJDPT-UWVGGRQHSA-N 2 0 226.368 1.097 20 0 BDADRP C[C@@H]1C[C@@H]1NC(=[NH2+])NCC1([NH+](C)C)CCCC1 ZINC000864451759 589365156 /nfs/dbraw/zinc/36/51/56/589365156.db2.gz JENUMUBUNKKOEO-MNOVXSKESA-N 2 0 238.379 1.383 20 0 BDADRP CC[NH+](CC)CCNC(=[NH2+])NCCC1CC1 ZINC000864452924 589365511 /nfs/dbraw/zinc/36/55/11/589365511.db2.gz UNDXDMWJRDFDMV-UHFFFAOYSA-N 2 0 226.368 1.242 20 0 BDADRP CCC[N@H+](CC)CCNC(=[NH2+])N[C@@H]1C[C@H]1C ZINC000864457114 589367270 /nfs/dbraw/zinc/36/72/70/589367270.db2.gz PBJLVKUSOYVWMI-GHMZBOCLSA-N 2 0 226.368 1.241 20 0 BDADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CCOC2)CC1 ZINC000865717469 589458165 /nfs/dbraw/zinc/45/81/65/589458165.db2.gz YWQBLAYZENLEOM-AWEZNQCLSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]1OCC[C@@H]1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000866660754 589508358 /nfs/dbraw/zinc/50/83/58/589508358.db2.gz KWFKEOHWLIOYBW-CHWSQXEVSA-N 2 0 238.375 1.487 20 0 BDADRP CCO[C@@H](C[N@@H+]1CC[NH2+]CCC1(C)C)C1CC1 ZINC000866697397 589512578 /nfs/dbraw/zinc/51/25/78/589512578.db2.gz OLRZJCXPYVRLME-ZDUSSCGKSA-N 2 0 240.391 1.875 20 0 BDADRP C[NH2+]CCC[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000866703752 589513409 /nfs/dbraw/zinc/51/34/09/589513409.db2.gz LQEWNJLAVGMTNW-WDEREUQCSA-N 2 0 214.378 1.281 20 0 BDADRP C[N@@H+]1CC[C@@H]2CN(C[C@H]3CCC[NH2+]C3)CC[C@@H]21 ZINC000866704832 589514134 /nfs/dbraw/zinc/51/41/34/589514134.db2.gz YDWNLQJVDPRDTA-MJBXVCDLSA-N 2 0 237.391 1.012 20 0 BDADRP C([C@H]1CC[NH2+]C1)[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000866704824 589514455 /nfs/dbraw/zinc/51/44/55/589514455.db2.gz YDSIRIUSPOGDQB-SRVKXCTJSA-N 2 0 226.389 1.281 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])CN1Cc1cnc(Cl)s1 ZINC000122360247 589583000 /nfs/dbraw/zinc/58/30/00/589583000.db2.gz IGGRWGFRCYDBFO-SFYZADRCSA-N 2 0 245.779 1.966 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C2CCC([NH3+])CC2)CN1C1CC1 ZINC000122945749 589645187 /nfs/dbraw/zinc/64/51/87/589645187.db2.gz SBCCVRYZGINZJH-IKWCTNDRSA-N 3 0 237.391 1.471 20 0 BDADRP [NH3+]Cc1cccc(NC(=O)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC000870933813 589698092 /nfs/dbraw/zinc/69/80/92/589698092.db2.gz XUPPARWCELFDCW-HAQNSBGRSA-N 2 0 247.342 1.601 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870938456 589699173 /nfs/dbraw/zinc/69/91/73/589699173.db2.gz PJVIRQZRPVWTBU-IJLUTSLNSA-N 2 0 241.379 1.138 20 0 BDADRP C[C@H](CCCC[NH3+])NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870947719 589700746 /nfs/dbraw/zinc/70/07/46/589700746.db2.gz SAVRTUUVOCXZDU-IJLUTSLNSA-N 2 0 241.379 1.138 20 0 BDADRP C1C[NH2+][C@@H](c2noc([C@]34CCC[C@H]3[NH2+]CC4)n2)C1 ZINC000871789372 589819467 /nfs/dbraw/zinc/81/94/67/589819467.db2.gz XDNZOEZZTBJNKR-BREBYQMCSA-N 2 0 248.330 1.278 20 0 BDADRP C[N@H+](C[C@H]1CC2(CCC2)CO1)C1CC[NH2+]CC1 ZINC000872142285 589882451 /nfs/dbraw/zinc/88/24/51/589882451.db2.gz ROBBQMQUEINPQO-CYBMUJFWSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@](C[NH3+])([NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1)C1CC1 ZINC000872141610 589882626 /nfs/dbraw/zinc/88/26/26/589882626.db2.gz LMBMEPOIHOEVHO-YXCITZCRSA-N 2 0 238.375 1.661 20 0 BDADRP C[N@H+](C[C@@H]1CC2(CCC2)CO1)C1CC([NH3+])C1 ZINC000872143380 589883009 /nfs/dbraw/zinc/88/30/09/589883009.db2.gz QKICDDNIKVOEAR-MCIGGMRASA-N 2 0 224.348 1.367 20 0 BDADRP CC(=O)C1CC[NH+](CCCCCC[NH3+])CC1 ZINC000872146709 589885357 /nfs/dbraw/zinc/88/53/57/589885357.db2.gz VSUGMDLCZCHEKG-UHFFFAOYSA-N 2 0 226.364 1.807 20 0 BDADRP C[N@H+](CCCCCC[NH3+])CC[C@@H]1CCC[NH2+]C1 ZINC000872155518 589886577 /nfs/dbraw/zinc/88/65/77/589886577.db2.gz OGGIINYQIOSVDP-AWEZNQCLSA-N 3 0 241.423 1.827 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H]2CCSC2)C1 ZINC000872253165 589900411 /nfs/dbraw/zinc/90/04/11/589900411.db2.gz ZYBDWBSSKOBGQE-GHMZBOCLSA-N 2 0 228.405 1.860 20 0 BDADRP CC(C)[C@@H](C[NH3+])C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000873209595 589994756 /nfs/dbraw/zinc/99/47/56/589994756.db2.gz PVYMHAPSUGYIPZ-KBPBESRZSA-N 3 0 239.407 1.293 20 0 BDADRP C[C@@H]([NH3+])[C@H](C)NCc1cc2c(s1)CC[NH2+]C2 ZINC000873213434 589997280 /nfs/dbraw/zinc/99/72/80/589997280.db2.gz ZMOODAGUKLPHQY-BDAKNGLRSA-N 2 0 239.388 1.219 20 0 BDADRP C[C@H]1C[NH2+]C[C@@H](Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C1 ZINC000873216968 589997789 /nfs/dbraw/zinc/99/77/89/589997789.db2.gz ZIISKODLKVFSMT-SDJAHQOYSA-N 2 0 245.370 1.911 20 0 BDADRP C[C@@]1(C[NH2+][C@@H]2CCCC[C@@H]2F)CC[NH2+]C1 ZINC000873216079 589997793 /nfs/dbraw/zinc/99/77/93/589997793.db2.gz IJCBENBKKAFGST-QJPTWQEYSA-N 2 0 214.328 1.856 20 0 BDADRP Cc1cc(C[NH2+][C@H](C)C2CC[NH2+]CC2)nn1C ZINC000873219813 589998496 /nfs/dbraw/zinc/99/84/96/589998496.db2.gz GHACCAYVXJQHEC-LLVKDONJSA-N 2 0 236.363 1.206 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)C1CC[NH2+]CC1 ZINC000873220102 589998604 /nfs/dbraw/zinc/99/86/04/589998604.db2.gz JJWYPPGYZLKSOH-UHTWSYAYSA-N 3 0 225.380 1.234 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1)C1CC[NH2+]CC1 ZINC000873220716 589998918 /nfs/dbraw/zinc/99/89/18/589998918.db2.gz SFUUPFBQBZVTCV-SCRDCRAPSA-N 3 0 239.407 1.495 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CC[NH2+][C@@H](C)C1)C1CC[NH2+]CC1 ZINC000873219880 589998976 /nfs/dbraw/zinc/99/89/76/589998976.db2.gz GWKWTCJMOSUYBN-AVGNSLFASA-N 3 0 239.407 1.352 20 0 BDADRP [NH3+]C1CCC([NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000873218183 589998979 /nfs/dbraw/zinc/99/89/79/589998979.db2.gz YWUGCTABZJQWHG-LXNWNPGYSA-N 2 0 236.359 1.269 20 0 BDADRP Cc1ccc(O)c(C[NH2+][C@H](C)C2CC[NH2+]CC2)n1 ZINC000873221095 589999366 /nfs/dbraw/zinc/99/93/66/589999366.db2.gz KVHROZXIWIUNIQ-LLVKDONJSA-N 2 0 249.358 1.573 20 0 BDADRP CC(C)([NH3+])CN1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000873223247 589999845 /nfs/dbraw/zinc/99/98/45/589999845.db2.gz JQYYDLUVCDTUHE-CYBMUJFWSA-N 2 0 227.396 1.421 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccnn1C ZINC000873223132 590000088 /nfs/dbraw/zinc/00/00/88/590000088.db2.gz KQJRCKVXKPUYFX-SNVBAGLBSA-N 2 0 222.336 1.070 20 0 BDADRP COCCC1([NH2+]CC2CC2)CC[NH2+]CC1 ZINC000873224746 590000485 /nfs/dbraw/zinc/00/04/85/590000485.db2.gz JKSKJPDWGHBYEK-UHFFFAOYSA-N 2 0 212.337 1.145 20 0 BDADRP COCCC1([NH2+]C[C@@H]2C[C@@H]2C)CC[NH2+]CC1 ZINC000873224474 590000854 /nfs/dbraw/zinc/00/08/54/590000854.db2.gz CMABJLYWNGBFHI-RYUDHWBXSA-N 2 0 226.364 1.391 20 0 BDADRP CC[C@H](C)C[NH2+]C1(CCOC)CC[NH2+]CC1 ZINC000873225650 590000949 /nfs/dbraw/zinc/00/09/49/590000949.db2.gz WHDQPTHUOKOCFR-LBPRGKRZSA-N 2 0 228.380 1.781 20 0 BDADRP C[N@H+](CCCCCC[NH3+])Cc1ccc(N)nc1 ZINC000873231893 590003014 /nfs/dbraw/zinc/00/30/14/590003014.db2.gz XRPPKEWONOCMGE-UHFFFAOYSA-N 2 0 236.363 1.615 20 0 BDADRP C[C@@H]1C[C@@H](C[N@H+](C)CCCCCC[NH3+])CC[NH2+]1 ZINC000873231430 590003395 /nfs/dbraw/zinc/00/33/95/590003395.db2.gz IUICLOSHEWCZTH-KGLIPLIRSA-N 3 0 241.423 1.825 20 0 BDADRP C[C@@H](NC[C@@H]1CCC(C)(C)C[NH2+]1)[C@H]1CCC[NH2+]1 ZINC000873236889 590003931 /nfs/dbraw/zinc/00/39/31/590003931.db2.gz KFWCFXBSGOJUTG-FRRDWIJNSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000873238835 590005936 /nfs/dbraw/zinc/00/59/36/590005936.db2.gz HOGMGBVZCIWKOY-UJPLBGJFSA-N 2 0 224.348 1.125 20 0 BDADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1F ZINC000873239603 590006094 /nfs/dbraw/zinc/00/60/94/590006094.db2.gz YWGYBIBCELVLTF-OBPIAQAESA-N 2 0 244.354 1.609 20 0 BDADRP Cn1ccnc1[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000873249493 590007756 /nfs/dbraw/zinc/00/77/56/590007756.db2.gz ANMXXKVQPQVOJU-ADEWGFFLSA-N 2 0 234.347 1.198 20 0 BDADRP CC(C)[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000873252854 590008840 /nfs/dbraw/zinc/00/88/40/590008840.db2.gz WOPQPZVQIGZETH-QNWHQSFQSA-N 2 0 226.364 1.517 20 0 BDADRP CC1(C)[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)[C@H]2CCCO[C@H]21 ZINC000873255105 590010057 /nfs/dbraw/zinc/01/00/57/590010057.db2.gz DDNZGMSXNNXQKH-SYLRKERUSA-N 2 0 238.375 1.517 20 0 BDADRP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873255218 590010093 /nfs/dbraw/zinc/01/00/93/590010093.db2.gz DYZUYSSKYFGIJY-CKYFFXLPSA-N 2 0 234.347 1.124 20 0 BDADRP Cc1cncc([C@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)c1 ZINC000873255254 590010102 /nfs/dbraw/zinc/01/01/02/590010102.db2.gz FLLFDHFODMMLDN-GVXVVHGQSA-N 2 0 219.332 1.778 20 0 BDADRP CCn1ccnc1[C@H](C)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873255631 590010822 /nfs/dbraw/zinc/01/08/22/590010822.db2.gz ILWIFQHFZFUXDT-DCAQKATOSA-N 2 0 222.336 1.291 20 0 BDADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873256531 590011931 /nfs/dbraw/zinc/01/19/31/590011931.db2.gz OWJYJVBLFQCJDR-DLOVCJGASA-N 3 0 248.374 1.237 20 0 BDADRP C[C@@H](CC1CCOCC1)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873257618 590012483 /nfs/dbraw/zinc/01/24/83/590012483.db2.gz UMWMOSRFSMDNTM-DRZSPHRISA-N 2 0 226.364 1.519 20 0 BDADRP COc1ccccc1C[C@@H](C)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873258510 590012838 /nfs/dbraw/zinc/01/28/38/590012838.db2.gz QRLYIFUUYLDNOX-YRGRVCCFSA-N 2 0 248.370 1.953 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCO1 ZINC000873265158 590014751 /nfs/dbraw/zinc/01/47/51/590014751.db2.gz UQHXMVCSYHUDCQ-RGDJUOJXSA-N 2 0 238.375 1.674 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)[C@H]1CCOC1)C1CC[NH2+]CC1 ZINC000873267566 590015472 /nfs/dbraw/zinc/01/54/72/590015472.db2.gz GMTKRPNZYUMFKP-MDZLAQPJSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)[C@H]1CCC[NH2+]1 ZINC000873271453 590016009 /nfs/dbraw/zinc/01/60/09/590016009.db2.gz IFYDKCZDRMXBAK-DMDPSCGWSA-N 3 0 225.380 1.105 20 0 BDADRP CC[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)[C@@H]1CCOC1 ZINC000873272378 590016396 /nfs/dbraw/zinc/01/63/96/590016396.db2.gz TWAFJNZPEYVLHE-IACUBPJLSA-N 2 0 240.391 1.779 20 0 BDADRP C[NH+](C)C(C)(C)CNC1CC[NH+](C)CC1 ZINC000020125688 590076285 /nfs/dbraw/zinc/07/62/85/590076285.db2.gz DIPVDNKBZADXIR-UHFFFAOYSA-N 2 0 213.369 1.010 20 0 BDADRP CC[N@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000125647048 590176053 /nfs/dbraw/zinc/17/60/53/590176053.db2.gz YUDPKPIXYLQJPJ-UHFFFAOYSA-N 2 0 204.317 1.784 20 0 BDADRP c1ccc(OCCN2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000125662890 590177056 /nfs/dbraw/zinc/17/70/56/590177056.db2.gz DXBLAKAMWSFSMK-KGLIPLIRSA-N 2 0 246.354 1.892 20 0 BDADRP CC1(C)[C@H](C(=O)Nc2cccc(C[NH3+])c2)C[C@@H]1[NH3+] ZINC000876505074 590204393 /nfs/dbraw/zinc/20/43/93/590204393.db2.gz JZZUZHZOAGSPDN-RYUDHWBXSA-N 2 0 247.342 1.457 20 0 BDADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccncc1C ZINC000876753026 590237786 /nfs/dbraw/zinc/23/77/86/590237786.db2.gz GWFQIYRQFBIAMX-OPVGQWETSA-N 2 0 245.326 1.162 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)NCCCCCC[NH3+] ZINC000876938143 590259099 /nfs/dbraw/zinc/25/90/99/590259099.db2.gz RMTMIKOJMKYMMI-LBPRGKRZSA-N 2 0 243.395 1.385 20 0 BDADRP C[C@@H]1CC[C@H](NC(=O)c2cccc(C[NH3+])c2)C[NH2+]1 ZINC000877052206 590274796 /nfs/dbraw/zinc/27/47/96/590274796.db2.gz QGHHCRZUFLRLRG-MFKMUULPSA-N 2 0 247.342 1.016 20 0 BDADRP C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877136879 590291189 /nfs/dbraw/zinc/29/11/89/590291189.db2.gz MVVBJGLOKGTHQC-GAQJKIJGSA-N 2 0 247.342 1.423 20 0 BDADRP CC[C@H]([NH2+]C)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877138389 590291204 /nfs/dbraw/zinc/29/12/04/590291204.db2.gz XJCUSZXAQLYWOX-XQQFMLRXSA-N 2 0 247.342 1.438 20 0 BDADRP COC[C@H]([NH2+]C[C@@H](C)N1CCCCC1)C1CC1 ZINC000126432292 590302594 /nfs/dbraw/zinc/30/25/94/590302594.db2.gz XNIXBXUCHZSGKF-OCCSQVGLSA-N 2 0 240.391 1.875 20 0 BDADRP CN(CCCCCC[NH3+])C(=O)[C@@H]([NH3+])C1CCC1 ZINC000877437807 590328419 /nfs/dbraw/zinc/32/84/19/590328419.db2.gz WSYPZSSRECHSIA-LBPRGKRZSA-N 2 0 241.379 1.091 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)N(C)CCCCCC[NH3+] ZINC000877444151 590328797 /nfs/dbraw/zinc/32/87/97/590328797.db2.gz JPYNURQGDSDPGJ-CYBMUJFWSA-N 2 0 243.395 1.481 20 0 BDADRP CO[C@H]1C[C@@H](C[N@H+](C)C[C@H]2CCC[NH+](C)C2)C1 ZINC000878125807 590501943 /nfs/dbraw/zinc/50/19/43/590501943.db2.gz RGZHYLVSHDZPDK-MELADBBJSA-N 2 0 240.391 1.685 20 0 BDADRP CC(C)[C@H](O)CC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000878511718 590584102 /nfs/dbraw/zinc/58/41/02/590584102.db2.gz HFMYXXPEBZRTOZ-ZIAGYGMSSA-N 2 0 242.407 1.810 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](CCCn3ccnc3)CC[C@H]21 ZINC000879577844 590815572 /nfs/dbraw/zinc/81/55/72/590815572.db2.gz MXWCKGPUVHOSOI-ZIAGYGMSSA-N 2 0 248.374 1.299 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)O1 ZINC000879583348 590822442 /nfs/dbraw/zinc/82/24/42/590822442.db2.gz XYNDMYZIHHTTEO-SYQHCUMBSA-N 2 0 238.375 1.580 20 0 BDADRP CN1CCC[C@H]2[C@H]1CC[N@@H+]2CCc1cccnc1 ZINC000880137716 590940075 /nfs/dbraw/zinc/94/00/75/590940075.db2.gz JLQSJKBUCRFJJY-CABCVRRESA-N 2 0 245.370 1.793 20 0 BDADRP COC[C@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880259710 590980545 /nfs/dbraw/zinc/98/05/45/590980545.db2.gz ZNZWPALFQOLHSA-OLZOCXBDSA-N 2 0 249.358 1.627 20 0 BDADRP COCCC[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880261579 590981026 /nfs/dbraw/zinc/98/10/26/590981026.db2.gz XDIIAJRKJLAXCC-CYBMUJFWSA-N 2 0 249.358 1.629 20 0 BDADRP CC(=O)CCN1CCC(C)([NH+]2CCC2)CC1 ZINC000880470431 591052621 /nfs/dbraw/zinc/05/26/21/591052621.db2.gz IIQSKADODJDFPL-UHFFFAOYSA-N 2 0 224.348 1.526 20 0 BDADRP c1ncc(C[NH2+][C@@H]2CCC[C@]23CCCO3)[nH]1 ZINC000880498154 591075055 /nfs/dbraw/zinc/07/50/55/591075055.db2.gz KSPHIKBICNGXDM-NEPJUHHUSA-N 2 0 221.304 1.601 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cncs1 ZINC000131447864 591608860 /nfs/dbraw/zinc/60/88/60/591608860.db2.gz PMNCFCBOWVAPHP-SCZZXKLOSA-N 2 0 211.334 1.360 20 0 BDADRP C=C/C=C\CC[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000883436780 591665569 /nfs/dbraw/zinc/66/55/69/591665569.db2.gz AMXFECQMTDXBAL-LDIIPZEWSA-N 2 0 206.333 1.932 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCCCCC[NH3+] ZINC000883442569 591669678 /nfs/dbraw/zinc/66/96/78/591669678.db2.gz OLBJMQSJUJFJEV-MNOVXSKESA-N 3 0 213.369 1.221 20 0 BDADRP COC(=O)C(C)(C)C[N@H+](CCC[NH3+])CC(C)C ZINC000883460712 591673840 /nfs/dbraw/zinc/67/38/40/591673840.db2.gz DXFXDHCQWYKMTI-UHFFFAOYSA-N 2 0 244.379 1.492 20 0 BDADRP C[NH+](C)C1(CN[C@H]2CCC[C@H]2C[NH3+])CCCC1 ZINC000131984327 591681612 /nfs/dbraw/zinc/68/16/12/591681612.db2.gz HHIPFBORZUXROC-STQMWFEESA-N 3 0 239.407 1.578 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132145988 591691078 /nfs/dbraw/zinc/69/10/78/591691078.db2.gz KFRXGCVVRHRXAS-MJBXVCDLSA-N 2 0 234.343 1.882 20 0 BDADRP C[NH2+]Cc1ccccc1NC(=O)[C@H]([NH3+])CC1CC1 ZINC000884013718 591799132 /nfs/dbraw/zinc/79/91/32/591799132.db2.gz QOEUBSHVTKTYOR-GFCCVEGCSA-N 2 0 247.342 1.472 20 0 BDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@H]1C[C@]12CCOC2 ZINC000886829752 592351463 /nfs/dbraw/zinc/35/14/63/592351463.db2.gz GPDFOAYGMYOVIF-MCIONIFRSA-N 2 0 240.391 1.718 20 0 BDADRP [NH3+]C1(C[NH2+]C[C@H]2CCC3(CCC3)CO2)CCC1 ZINC000886832424 592352686 /nfs/dbraw/zinc/35/26/86/592352686.db2.gz IEHOHUBBSZHIJD-GFCCVEGCSA-N 2 0 238.375 1.807 20 0 BDADRP [NH3+]C1(C[NH2+]C[C@@H]2CCC3(CCC3)CO2)CCC1 ZINC000886832425 592353554 /nfs/dbraw/zinc/35/35/54/592353554.db2.gz IEHOHUBBSZHIJD-LBPRGKRZSA-N 2 0 238.375 1.807 20 0 BDADRP C[N@H+](C[C@@H]1C[C@@]12CCOC2)CC(C)(C)C[NH3+] ZINC000886830909 592355141 /nfs/dbraw/zinc/35/51/41/592355141.db2.gz ZPZQLSBVGLWRSO-WCQYABFASA-N 2 0 226.364 1.330 20 0 BDADRP [NH3+][C@]12CCC[C@@H]1C[N@H+](C[C@@H]1C[C@]13CCOC3)C2 ZINC000886841269 592360894 /nfs/dbraw/zinc/36/08/94/592360894.db2.gz GTQZJBRKFVJXON-RFGFWPKPSA-N 2 0 236.359 1.226 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC[C@@H](C2CC2)O1 ZINC000886840172 592361499 /nfs/dbraw/zinc/36/14/99/592361499.db2.gz VGVNGOIMCROIQM-SYQHCUMBSA-N 2 0 238.375 1.804 20 0 BDADRP [NH3+]CCC1CC[NH+](C[C@H]2C[C@@]23CCOC3)CC1 ZINC000886840263 592361574 /nfs/dbraw/zinc/36/15/74/592361574.db2.gz XWDUBWXGJSXPPM-ZIAGYGMSSA-N 2 0 238.375 1.474 20 0 BDADRP CCC1([NH+]2CCC2)CCN(CCC[NH2+]C)CC1 ZINC000886859681 592372845 /nfs/dbraw/zinc/37/28/45/592372845.db2.gz AWIMVZQBVYAQCO-UHFFFAOYSA-N 2 0 239.407 1.546 20 0 BDADRP c1cc(CN2CCCC[C@]3(CC[NH2+]C3)C2)no1 ZINC000886869580 592375406 /nfs/dbraw/zinc/37/54/06/592375406.db2.gz CJTMYOBBUBIHSQ-CYBMUJFWSA-N 2 0 235.331 1.640 20 0 BDADRP COCC[C@H](C)[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886872230 592376340 /nfs/dbraw/zinc/37/63/40/592376340.db2.gz NDRCXIIROMPVGA-KBPBESRZSA-N 2 0 240.391 1.877 20 0 BDADRP c1cnn(CC[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000886872592 592376783 /nfs/dbraw/zinc/37/67/83/592376783.db2.gz WIMJDFOCOZMQDO-CQSZACIVSA-N 2 0 248.374 1.349 20 0 BDADRP CC[C@@H](C)[N@H+](C)CCNC(=[NH2+])NCC(F)F ZINC000887352684 592486050 /nfs/dbraw/zinc/48/60/50/592486050.db2.gz KGUYZBSJBLLFQC-MRVPVSSYSA-N 2 0 236.310 1.096 20 0 BDADRP C[NH+](C)C1(CNC(=[NH2+])NCC2CC2)CCCC1 ZINC000887345982 592484151 /nfs/dbraw/zinc/48/41/51/592484151.db2.gz MEYVBVHHTYRCFF-UHFFFAOYSA-N 2 0 238.379 1.385 20 0 BDADRP C[C@H]1CCCC[N@@H+]1CCNC(=[NH2+])NCC1CC1 ZINC000887348735 592484363 /nfs/dbraw/zinc/48/43/63/592484363.db2.gz UUOHGFVOPOWLSW-NSHDSACASA-N 2 0 238.379 1.385 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](CNC(=[NH2+])NCC2CC2)C1 ZINC000887351470 592486342 /nfs/dbraw/zinc/48/63/42/592486342.db2.gz QBZPBMRIGYQZHC-GFCCVEGCSA-N 2 0 238.379 1.241 20 0 BDADRP CC[C@H](C)[N@H+](C)CCNC(=[NH2+])NCC(F)F ZINC000887352685 592486536 /nfs/dbraw/zinc/48/65/36/592486536.db2.gz KGUYZBSJBLLFQC-QMMMGPOBSA-N 2 0 236.310 1.096 20 0 BDADRP CCCC[N@H+](C)CCNC(=[NH2+])NCC(F)F ZINC000887353751 592487032 /nfs/dbraw/zinc/48/70/32/592487032.db2.gz BAMQNRMFAJYBCO-UHFFFAOYSA-N 2 0 236.310 1.097 20 0 BDADRP Cn1c(Cl)cnc1C[NH2+]C1CCC([NH3+])CC1 ZINC000301050568 592527696 /nfs/dbraw/zinc/52/76/96/592527696.db2.gz ZYWAHQVRWRXOMN-UHFFFAOYSA-N 2 0 242.754 1.433 20 0 BDADRP CO[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925701791 634377189 /nfs/dbraw/zinc/37/71/89/634377189.db2.gz FTSVTDKEGDEKLF-LPWJVIDDSA-N 2 0 238.375 1.804 20 0 BDADRP C[C@@H](N)[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccccc1 ZINC000925703435 634380603 /nfs/dbraw/zinc/38/06/03/634380603.db2.gz USESVCMEQZMAAI-OCCSQVGLSA-N 3 0 247.386 1.794 20 0 BDADRP [NH3+][C@@H]1C[C@H](N[C@@H]2CC[NH2+]C3(CCC3)C2)C12CCC2 ZINC000925704054 634381633 /nfs/dbraw/zinc/38/16/33/634381633.db2.gz FZFLXECUHJLFHT-UPJWGTAASA-N 2 0 249.402 1.521 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+]CCC1CC=CC1 ZINC001579003642 985663902 /nfs/dbraw/zinc/66/39/02/985663902.db2.gz KJHFNMCFIIEBLB-LBPRGKRZSA-N 2 0 212.337 1.296 20 0 BDADRP CCC[NH+]1CCC(NC(C)(C)C[NH3+])CC1 ZINC001258768019 991729097 /nfs/dbraw/zinc/72/90/97/991729097.db2.gz URIHNLNXVJFRRX-UHFFFAOYSA-N 2 0 213.369 1.188 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C12CCC2 ZINC000925706590 634392012 /nfs/dbraw/zinc/39/20/12/634392012.db2.gz MZYBUABYGGXULN-ITGHMWBKSA-N 3 0 249.402 1.234 20 0 BDADRP CO[C@@H]1C[N@H+](CCCCCC[NH3+])CC[C@H]1C ZINC000299911501 634397411 /nfs/dbraw/zinc/39/74/11/634397411.db2.gz MWWSVRWSTXDBEC-CHWSQXEVSA-N 2 0 228.380 1.862 20 0 BDADRP CC1(C)C[C@]1(C)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925710848 634409811 /nfs/dbraw/zinc/40/98/11/634409811.db2.gz XZIZFAIXBQDZRO-HXEBITFNSA-N 2 0 220.360 1.761 20 0 BDADRP C[C@H](Cc1ccccn1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000925710557 634409951 /nfs/dbraw/zinc/40/99/51/634409951.db2.gz WZENOLBESGQMCO-CYBMUJFWSA-N 2 0 245.370 1.864 20 0 BDADRP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@@H]2[NH2+][C@@H]1C=CCC1 ZINC000925713509 634417909 /nfs/dbraw/zinc/41/79/09/634417909.db2.gz WFRHRPQBIKFPKS-MLGHIDQZSA-N 2 0 222.332 1.047 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@H]1COCC1(C)C ZINC000313029512 634439421 /nfs/dbraw/zinc/43/94/21/634439421.db2.gz HRMCAUJQBHHLSL-MNOVXSKESA-N 2 0 214.353 1.341 20 0 BDADRP C[C@@H]1CC[C@H](N[C@@H]2CC[NH2+]C23CCCC3)C[NH2+]1 ZINC000925717504 634455313 /nfs/dbraw/zinc/45/53/13/634455313.db2.gz KNXHSOPRUMCNKM-FRRDWIJNSA-N 2 0 237.391 1.391 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000925717378 634453447 /nfs/dbraw/zinc/45/34/47/634453447.db2.gz GARFFODFJRYBBY-ODXJTPSBSA-N 2 0 238.375 1.532 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CC[C@H]1CCCOC1 ZINC000925720775 634460767 /nfs/dbraw/zinc/46/07/67/634460767.db2.gz IYPJYGLVURNGJU-NEPJUHHUSA-N 2 0 226.364 1.533 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CC[C@H]1CCCOC1 ZINC000925720778 634460796 /nfs/dbraw/zinc/46/07/96/634460796.db2.gz IYPJYGLVURNGJU-VXGBXAGGSA-N 2 0 226.364 1.533 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CC[C@@H]1CCSC1 ZINC000925724981 634506656 /nfs/dbraw/zinc/50/66/56/634506656.db2.gz OVTITXZQBORZFI-MNOVXSKESA-N 2 0 228.405 1.860 20 0 BDADRP CC1(C)[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925727182 634524774 /nfs/dbraw/zinc/52/47/74/634524774.db2.gz NEXJEFOPYPHRQE-NJMOYASZSA-N 3 0 237.391 1.090 20 0 BDADRP C[C@@H]([NH2+][C@H]1C[C@H]([NH3+])C12CCC2)C1CC[NH2+]CC1 ZINC000925728259 634527892 /nfs/dbraw/zinc/52/78/92/634527892.db2.gz KFAALEJMKGBONB-WXHSDQCUSA-N 3 0 237.391 1.234 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000925735647 634587509 /nfs/dbraw/zinc/58/75/09/634587509.db2.gz HVPVZQYEZCNOAX-CYDGBPFRSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@H]([NH3+])[C@H](NCCC(C)(C)[NH3+])c1ccccc1 ZINC000925736680 634590489 /nfs/dbraw/zinc/59/04/89/634590489.db2.gz JBWXLSOEPVYXAS-AAEUAGOBSA-N 2 0 235.375 1.792 20 0 BDADRP CO[C@H]1CCC[C@H]([NH2+]CCC(C)(C)[NH3+])C1 ZINC000925738267 634595582 /nfs/dbraw/zinc/59/55/82/634595582.db2.gz PPXAXOJDQKHKEO-QWRGUYRKSA-N 2 0 214.353 1.661 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NCCC(C)(C)[NH3+] ZINC000925741767 634603440 /nfs/dbraw/zinc/60/34/40/634603440.db2.gz MSNSRLGDPNVNMD-ZYHUDNBSSA-N 2 0 225.380 1.186 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000925794397 635329726 /nfs/dbraw/zinc/32/97/26/635329726.db2.gz LLUPKDKEHUVZHP-RQJABVFESA-N 3 0 239.407 1.339 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@H]1[C@@H]1C[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000925822180 635400206 /nfs/dbraw/zinc/40/02/06/635400206.db2.gz JGBWCKKAWRAAFJ-NMIFLECGSA-N 2 0 208.349 1.761 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CCCOCC1 ZINC000061934905 635460028 /nfs/dbraw/zinc/46/00/28/635460028.db2.gz HHUPWJMOFVDJPJ-UHFFFAOYSA-N 2 0 200.326 1.228 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000925832263 635473295 /nfs/dbraw/zinc/47/32/95/635473295.db2.gz MLMCFBZIBFHZQM-YVECIDJPSA-N 2 0 226.364 1.661 20 0 BDADRP CC1([NH+]2CCC2)CCC([NH2+][C@H]2CC[NH2+]C2)CC1 ZINC000925862211 635559764 /nfs/dbraw/zinc/55/97/64/635559764.db2.gz YIACRBVWHCNSGF-MOKVOYLWSA-N 3 0 237.391 1.345 20 0 BDADRP CC[C@H](C)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925854078 635541775 /nfs/dbraw/zinc/54/17/75/635541775.db2.gz KFJKLVMHEBSZRX-WDEREUQCSA-N 2 0 240.347 1.060 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCS[C@H](C)C1 ZINC000925857778 635550451 /nfs/dbraw/zinc/55/04/51/635550451.db2.gz INZKTYFHNQECRX-MMWGEVLESA-N 2 0 216.394 1.986 20 0 BDADRP C[C@@H](N[C@@H]1CCC[NH2+]CC1)c1ncc[nH]1 ZINC000124750401 635568709 /nfs/dbraw/zinc/56/87/09/635568709.db2.gz ZWRJDZBJZDTILH-NXEZZACHSA-N 2 0 208.309 1.202 20 0 BDADRP Cc1ccc(NCC[NH2+][C@H]2CCC[C@@H]2[NH3+])nc1 ZINC000925878217 635604574 /nfs/dbraw/zinc/60/45/74/635604574.db2.gz RRZUJOJEOFKCNG-RYUDHWBXSA-N 2 0 234.347 1.271 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000925880362 635607809 /nfs/dbraw/zinc/60/78/09/635607809.db2.gz PZFREUDOWGUGJM-ZBAXXZLZSA-N 2 0 208.349 1.892 20 0 BDADRP CN(CC[NH+]1CCCCC1)C[C@H]1CCC[NH2+]1 ZINC000234308990 631235508 /nfs/dbraw/zinc/23/55/08/631235508.db2.gz JOYDFDHOHOUSPJ-CYBMUJFWSA-N 2 0 225.380 1.156 20 0 BDADRP C[NH+]1CCC(C[NH2+]CCOCC2CC2)CC1 ZINC000234311790 631236147 /nfs/dbraw/zinc/23/61/47/631236147.db2.gz SUHNDVGRXGPYOQ-UHFFFAOYSA-N 2 0 226.364 1.344 20 0 BDADRP C[C@H]1CN(C[C@H]([NH3+])CC(F)F)C[C@H]1C ZINC000308447603 631292620 /nfs/dbraw/zinc/29/26/20/631292620.db2.gz ADDLBCOBUVYLRJ-HRDYMLBCSA-N 2 0 206.280 1.557 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2CCO)CC1 ZINC000893724124 635626116 /nfs/dbraw/zinc/62/61/16/635626116.db2.gz SNYJEWAYSJNQPI-ZIAGYGMSSA-N 2 0 240.391 1.469 20 0 BDADRP CCC[N@@H+]1CC[C@@H](CNc2nc(N)cc(C)[nH+]2)C1 ZINC000891967733 631653482 /nfs/dbraw/zinc/65/34/82/631653482.db2.gz QQNSIIKOFWRDHR-NSHDSACASA-N 2 0 249.362 1.511 20 0 BDADRP CC(=O)CC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000042395394 631729536 /nfs/dbraw/zinc/72/95/36/631729536.db2.gz RDPGLUAJDNTTAB-UHFFFAOYSA-N 2 0 212.337 1.239 20 0 BDADRP CCCCN(C)C[C@@H](C)[NH2+][C@@H](C)CCO ZINC000308927497 631745740 /nfs/dbraw/zinc/74/57/40/631745740.db2.gz INMFQEUGEJQAMW-NWDGAFQWSA-N 2 0 216.369 1.467 20 0 BDADRP CC[C@@H](C[NH2+]CC1CC[NH+](C)CC1)OC ZINC000309016747 631801057 /nfs/dbraw/zinc/80/10/57/631801057.db2.gz ZVMAKXAKJHHANN-LBPRGKRZSA-N 2 0 214.353 1.343 20 0 BDADRP CSC1(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000235119088 632008075 /nfs/dbraw/zinc/00/80/75/632008075.db2.gz UINDATKQXOYQQP-ZJUUUORDSA-N 2 0 214.378 1.599 20 0 BDADRP CC[NH+]1CCC(CNC(=[NH2+])NCC(C)C)CC1 ZINC000052044417 632051172 /nfs/dbraw/zinc/05/11/72/632051172.db2.gz BCACCBAATITUEI-UHFFFAOYSA-N 2 0 240.395 1.488 20 0 BDADRP CC(C)NC(=[NH2+])NCC[NH+](C(C)C)C(C)C ZINC000052040833 632051564 /nfs/dbraw/zinc/05/15/64/632051564.db2.gz WBXGPJINJMSHNO-UHFFFAOYSA-N 2 0 228.384 1.628 20 0 BDADRP CC(C)NC(=[NH2+])NC[C@H](C)C[NH+]1CCCCC1 ZINC000052042982 632053484 /nfs/dbraw/zinc/05/34/84/632053484.db2.gz PCKKUJIUHRFPOE-LBPRGKRZSA-N 2 0 240.395 1.631 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1=CCOCC1 ZINC000926505634 632403408 /nfs/dbraw/zinc/40/34/08/632403408.db2.gz JUXFNRYXTOUZMW-PBWFPOADSA-N 2 0 236.359 1.263 20 0 BDADRP CC[C@@H]1COC[C@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000926558612 632524660 /nfs/dbraw/zinc/52/46/60/632524660.db2.gz JMYVUQYYIAFKIH-TZMCWYRMSA-N 2 0 240.391 1.875 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1NCC[NH+]1CCCCCC1 ZINC000089150316 632658111 /nfs/dbraw/zinc/65/81/11/632658111.db2.gz JACMSRULYNUOCA-KBPBESRZSA-N 2 0 239.407 1.579 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+](C)Cc2ccncc2)CC[NH2+]1 ZINC000235366212 632680295 /nfs/dbraw/zinc/68/02/95/632680295.db2.gz YUYTXUUWKAKWLV-TZMCWYRMSA-N 2 0 233.359 1.902 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCN(C)C(C)(C)C2)CC[NH2+]1 ZINC000235381447 632681407 /nfs/dbraw/zinc/68/14/07/632681407.db2.gz ROGVIVRVGUANSR-OLZOCXBDSA-N 2 0 239.407 1.401 20 0 BDADRP [NH3+][C@@H](CC(F)F)CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000310420085 632738837 /nfs/dbraw/zinc/73/88/37/632738837.db2.gz YSSHLYTXSRRSLF-QWRGUYRKSA-N 2 0 247.333 1.139 20 0 BDADRP C[C@H](CNC1=[NH+]C[C@@H](C)N1)C[NH+]1CCCCC1 ZINC000310404145 632738992 /nfs/dbraw/zinc/73/89/92/632738992.db2.gz KBJHFQSQMQFTGU-VXGBXAGGSA-N 2 0 238.379 1.046 20 0 BDADRP CC(C)N(C)C[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000310438220 632740847 /nfs/dbraw/zinc/74/08/47/632740847.db2.gz OZVXEHQBKAQWTK-CYBMUJFWSA-N 2 0 241.423 1.647 20 0 BDADRP C[C@H](O)C1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000235546910 632782226 /nfs/dbraw/zinc/78/22/26/632782226.db2.gz PQORWYLBYGWWOV-QWHCGFSZSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@H]1OCC[C@@]1(C)[NH2+]CC1CC[NH+](C)CC1 ZINC000235595895 632794429 /nfs/dbraw/zinc/79/44/29/632794429.db2.gz OVJFCYWIHUXZJN-DGCLKSJQSA-N 2 0 226.364 1.485 20 0 BDADRP C[NH+](C)[C@@H](CNC(=[NH2+])NC1CCCC1)C1CC1 ZINC000066245685 632860902 /nfs/dbraw/zinc/86/09/02/632860902.db2.gz KSVXXDRSKAVIFQ-LBPRGKRZSA-N 2 0 238.379 1.383 20 0 BDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])NC ZINC000066245824 632861924 /nfs/dbraw/zinc/86/19/24/632861924.db2.gz FMOHQHWRRCOLCE-LLVKDONJSA-N 2 0 226.368 1.175 20 0 BDADRP CC[N@H+](CC[C@H]1CCC[NH2+]C1)C[C@H]1CCCO1 ZINC000249841922 633012295 /nfs/dbraw/zinc/01/22/95/633012295.db2.gz TXJKBNNMAWNWEF-ZIAGYGMSSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@]1(C[NH2+][C@H]2CCCc3n[nH]cc32)CCC[NH2+]C1 ZINC000335487485 635878804 /nfs/dbraw/zinc/87/88/04/635878804.db2.gz LWWGFJLWLYKEQN-JSGCOSHPSA-N 2 0 248.374 1.766 20 0 BDADRP C[C@@H]1COC[C@@H]1[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000924608084 633238245 /nfs/dbraw/zinc/23/82/45/633238245.db2.gz VUJQWWDXUJYZPW-DOMZBBRYSA-N 2 0 248.370 1.873 20 0 BDADRP [NH3+]CCCCCC[NH+]1CCN(C2CCC2)CC1 ZINC000328363157 633756982 /nfs/dbraw/zinc/75/69/82/633756982.db2.gz BSZDUJFMSPOCHH-UHFFFAOYSA-N 2 0 239.407 1.676 20 0 BDADRP C([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C1CCCC1 ZINC000328544489 633772838 /nfs/dbraw/zinc/77/28/38/633772838.db2.gz LNEXTYAFHQLHPT-YHQUGGNUSA-N 2 0 220.360 1.763 20 0 BDADRP c1csc(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)c1 ZINC000328511243 633775316 /nfs/dbraw/zinc/77/53/16/633775316.db2.gz BKIZWIRQYRSFIJ-GOCOPAARSA-N 2 0 248.395 1.877 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000925536954 633937386 /nfs/dbraw/zinc/93/73/86/633937386.db2.gz UCGJCMWWCJHNOC-QWRGUYRKSA-N 2 0 212.337 1.286 20 0 BDADRP C(N[C@@H]1CC[NH2+]C12CCC2)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000925538581 633945998 /nfs/dbraw/zinc/94/59/98/633945998.db2.gz VGZCSPOLYJHBPH-TZMCWYRMSA-N 2 0 249.402 1.345 20 0 BDADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CC[C@@H]1C ZINC000309945299 633967029 /nfs/dbraw/zinc/96/70/29/633967029.db2.gz DDJPDRQSZOZHIC-QWHCGFSZSA-N 2 0 228.380 1.733 20 0 BDADRP CC[C@@]1(C)CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000309983432 634028087 /nfs/dbraw/zinc/02/80/87/634028087.db2.gz YINUTVVAGUNNHG-KGLIPLIRSA-N 2 0 240.391 1.565 20 0 BDADRP CC[C@]1(C)CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000309983433 634028848 /nfs/dbraw/zinc/02/88/48/634028848.db2.gz YINUTVVAGUNNHG-UONOGXRCSA-N 2 0 240.391 1.565 20 0 BDADRP C[C@H]([NH3+])[C@@H](NC[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000925563058 634044557 /nfs/dbraw/zinc/04/45/57/634044557.db2.gz AACJZCUQYCLISH-NWANDNLSSA-N 2 0 247.386 1.759 20 0 BDADRP CC(C)CC[C@@H](CO)[NH2+]CC1CC[NH+](C)CC1 ZINC000895585312 636162080 /nfs/dbraw/zinc/16/20/80/636162080.db2.gz PLNRXKHKTXTADK-AWEZNQCLSA-N 2 0 242.407 1.715 20 0 BDADRP C[C@H](O)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925610643 634149161 /nfs/dbraw/zinc/14/91/61/634149161.db2.gz IPBKKDKOVLQIOX-CYZMBNFOSA-N 2 0 226.364 1.125 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1[NH2+]C1CCC(CO)CC1 ZINC000925612302 634150134 /nfs/dbraw/zinc/15/01/34/634150134.db2.gz RDCSFYWIWDPZGT-HTAVTVPLSA-N 2 0 226.364 1.268 20 0 BDADRP CC(C)(CO)C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925616225 634160196 /nfs/dbraw/zinc/16/01/96/634160196.db2.gz KXNDSEFLDMDDQB-WDEREUQCSA-N 2 0 228.380 1.501 20 0 BDADRP C[C@@H](CO)[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925617510 634167365 /nfs/dbraw/zinc/16/73/65/634167365.db2.gz WKSFKORJLZYFLY-UHTWSYAYSA-N 2 0 226.364 1.125 20 0 BDADRP Cc1cc(C[C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)[nH]n1 ZINC000925619547 634176038 /nfs/dbraw/zinc/17/60/38/634176038.db2.gz OVRDUQVKTNYJCG-TVYUQYBPSA-N 2 0 248.374 1.509 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H]2CCOC2)C1 ZINC000925620515 634177449 /nfs/dbraw/zinc/17/74/49/634177449.db2.gz BKOWGCCPACUHHF-OUAUKWLOSA-N 2 0 212.337 1.271 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H](CCO)C2CC2)C12CCC2 ZINC000925619849 634178344 /nfs/dbraw/zinc/17/83/44/634178344.db2.gz RHHMYQRKMLFHLY-QJPTWQEYSA-N 2 0 224.348 1.007 20 0 BDADRP C/C=C/C[C@H](CO)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925640739 634188237 /nfs/dbraw/zinc/18/82/37/634188237.db2.gz IYLLXTNIYBSQMI-YVAWVJMJSA-N 2 0 240.391 1.809 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000925645845 634200434 /nfs/dbraw/zinc/20/04/34/634200434.db2.gz SJHZHQJSRXHLQZ-FDYHWXHSSA-N 2 0 240.391 1.786 20 0 BDADRP O[C@@H]1CC[C@@H](C[NH2+][C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925650248 634208680 /nfs/dbraw/zinc/20/86/80/634208680.db2.gz SZRHSAAIZMCBJO-UPJWGTAASA-N 2 0 238.375 1.412 20 0 BDADRP C[C@H]1OCC[C@H]1[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925676283 634262748 /nfs/dbraw/zinc/26/27/48/634262748.db2.gz ZMQBPGZKHSTARZ-ZNSHCXBVSA-N 2 0 210.321 1.023 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCCSC1 ZINC000925675637 634263114 /nfs/dbraw/zinc/26/31/14/634263114.db2.gz XPTQMNHWWFQTPH-QWRGUYRKSA-N 2 0 228.405 1.860 20 0 BDADRP COCC[C@@H](C)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925684388 634293734 /nfs/dbraw/zinc/29/37/34/634293734.db2.gz AMZSQCBFUDMJQY-NEPJUHHUSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]1NCCC[C@H]1[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000925686976 634302109 /nfs/dbraw/zinc/30/21/09/634302109.db2.gz YAGYTWSUVNGZRK-BFHYXJOUSA-N 3 0 239.407 1.448 20 0 BDADRP CC[NH2+]CCCN[C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925689834 634308836 /nfs/dbraw/zinc/30/88/36/634308836.db2.gz ISTSMJQIBITGIH-OCCSQVGLSA-N 2 0 235.375 1.664 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2C[C@H]([NH3+])C23CCC3)c2nccn21 ZINC000925689943 634311131 /nfs/dbraw/zinc/31/11/31/634311131.db2.gz IUILAYOYHCBXBY-RHYQMDGZSA-N 2 0 246.358 1.748 20 0 BDADRP C[C@H]([NH3+])CCN[C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925694714 634338294 /nfs/dbraw/zinc/33/82/94/634338294.db2.gz SEIATHMUASPCCF-GVXVVHGQSA-N 2 0 221.348 1.402 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925694816 634340272 /nfs/dbraw/zinc/34/02/72/634340272.db2.gz UBVQODNBISQWHQ-IACUBPJLSA-N 2 0 235.375 1.648 20 0 BDADRP C[C@H](N)[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000925695348 634345562 /nfs/dbraw/zinc/34/55/62/634345562.db2.gz WAALFEVUCDRMHD-GZBFAFLISA-N 2 0 247.386 1.664 20 0 BDADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925697281 634358572 /nfs/dbraw/zinc/35/85/72/634358572.db2.gz XJJLXBKNAAYFQD-RNJOBUHISA-N 2 0 238.375 1.802 20 0 BDADRP [NH3+][C@H](C[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)C1CC1 ZINC000925697554 634360357 /nfs/dbraw/zinc/36/03/57/634360357.db2.gz GHMOVKVXZMYRKC-AAVRWANBSA-N 2 0 238.375 1.519 20 0 BDADRP [NH3+]CCC[C@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000925698053 634360862 /nfs/dbraw/zinc/36/08/62/634360862.db2.gz HTESZPXUBWJLPQ-HIFRSBDPSA-N 3 0 247.386 1.666 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H](NC[C@@H]2CC[NH2+]C2)C1 ZINC000925698185 634362812 /nfs/dbraw/zinc/36/28/12/634362812.db2.gz JJUFPDBWUHLAKX-IJLUTSLNSA-N 2 0 225.380 1.092 20 0 BDADRP C[C@H]([NH3+])[C@@H](N[C@@H]1CC[NH2+][C@H](C)C1)c1ccccc1 ZINC000925697951 634363012 /nfs/dbraw/zinc/36/30/12/634363012.db2.gz BPXPXMMBBPLSKN-AYRXBEOTSA-N 2 0 247.386 1.805 20 0 BDADRP C[C@H](C[NH3+])N[C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925699733 634368099 /nfs/dbraw/zinc/36/80/99/634368099.db2.gz QFEDVKODMITMGH-JFGNBEQYSA-N 2 0 207.321 1.012 20 0 BDADRP C[C@H]([NH3+])[C@H](NCC(C)(C)[NH3+])c1ccccc1 ZINC000925699728 634368855 /nfs/dbraw/zinc/36/88/55/634368855.db2.gz QEEIWDPWNMWBMQ-JQWIXIFHSA-N 2 0 221.348 1.402 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H](N[C@H](C[NH3+])C2CC2)C1 ZINC000925700542 634370275 /nfs/dbraw/zinc/37/02/75/634370275.db2.gz UEFHQAPFBRPSDL-IJLUTSLNSA-N 2 0 225.380 1.219 20 0 BDADRP c1ccc(C[N@@H+]2CC[C@@H](N[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000094079591 635179602 /nfs/dbraw/zinc/17/96/02/635179602.db2.gz IDHKQPPDNXBEFW-HUUCEWRRSA-N 2 0 245.370 1.212 20 0 BDADRP COC[C@@H]([NH2+]Cc1cc(N)ccn1)C1CCCC1 ZINC000925768431 635188952 /nfs/dbraw/zinc/18/89/52/635188952.db2.gz UKTPTBFKBBXOCR-CQSZACIVSA-N 2 0 249.358 1.959 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC3(CCC3)CO2)C1 ZINC000925774374 635234303 /nfs/dbraw/zinc/23/43/03/635234303.db2.gz UVGZYHYYDLMQKP-AGIUHOORSA-N 2 0 238.375 1.805 20 0 BDADRP CC(C)(C[NH2+][C@H]1CCC[C@H]1[NH3+])C1CCOCC1 ZINC000259083858 635241799 /nfs/dbraw/zinc/24/17/99/635241799.db2.gz RHZJZTDIBOJHRM-OLZOCXBDSA-N 2 0 240.391 1.909 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCC23CCOCC3)C1 ZINC000925781331 635272097 /nfs/dbraw/zinc/27/20/97/635272097.db2.gz YEZNPKUSCBDCRB-FRRDWIJNSA-N 2 0 238.375 1.805 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CCC12CCCC2 ZINC000925785651 635301811 /nfs/dbraw/zinc/30/18/11/635301811.db2.gz QBYATTDCXGZDEI-IJLUTSLNSA-N 2 0 208.349 1.907 20 0 BDADRP CC[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000925796604 635334837 /nfs/dbraw/zinc/33/48/37/635334837.db2.gz SEEUVXBMQUNGNV-SYQHCUMBSA-N 3 0 239.407 1.352 20 0 BDADRP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)C(C)(C)C ZINC000925814663 635379033 /nfs/dbraw/zinc/37/90/33/635379033.db2.gz KYFKBALAPFNFRK-NSHDSACASA-N 2 0 227.396 1.434 20 0 BDADRP CC(C)[C@H]1CC[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925817334 635385717 /nfs/dbraw/zinc/38/57/17/635385717.db2.gz QFGSQAYVSRZQRI-ZIAGYGMSSA-N 2 0 239.407 1.434 20 0 BDADRP [NH3+]C1CCN(CC[NH2+][C@@H]2CCC23CCC3)CC1 ZINC000925816876 635385731 /nfs/dbraw/zinc/38/57/31/635385731.db2.gz KQKWBHJSXPIQSF-CYBMUJFWSA-N 2 0 237.391 1.332 20 0 BDADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCC1CC=CC1 ZINC000925833000 635474433 /nfs/dbraw/zinc/47/44/33/635474433.db2.gz QZSNNLPZLQFAMQ-IACUBPJLSA-N 2 0 238.375 1.685 20 0 BDADRP CCc1onc(C)c1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000925891683 635618597 /nfs/dbraw/zinc/61/85/97/635618597.db2.gz WSQPPSZRKISSAN-ZYHUDNBSSA-N 2 0 237.347 1.762 20 0 BDADRP C[NH+](C)C1CCN(c2cc[nH+]cc2CO)CC1 ZINC000126419358 635818321 /nfs/dbraw/zinc/81/83/21/635818321.db2.gz AHUANXZSLOOBHL-UHFFFAOYSA-N 2 0 235.331 1.104 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)C(C)(C)CO ZINC000925010637 635846499 /nfs/dbraw/zinc/84/64/99/635846499.db2.gz NAQSVJFUZHJSJK-RYUDHWBXSA-N 2 0 228.380 1.325 20 0 BDADRP CO[C@@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000054243852 636244944 /nfs/dbraw/zinc/24/49/44/636244944.db2.gz YMQXZMHAZSNRMP-QWHCGFSZSA-N 2 0 226.364 1.485 20 0 BDADRP CC[NH+](CC)C[C@@H](C)Nc1cc(C)[nH+]c(N)n1 ZINC000109746063 636653964 /nfs/dbraw/zinc/65/39/64/636653964.db2.gz KIJVIEDHIRPAFO-SNVBAGLBSA-N 2 0 237.351 1.509 20 0 BDADRP CC(C)(C)NC(=[NH2+])NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000052042172 636669806 /nfs/dbraw/zinc/66/98/06/636669806.db2.gz NUFRUHZQHADTSQ-JTQLQIEISA-N 2 0 238.379 1.383 20 0 BDADRP OCCC1CC([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000898011663 636851487 /nfs/dbraw/zinc/85/14/87/636851487.db2.gz SHFWZWMXDAFCPG-HHTDUIENSA-N 2 0 238.375 1.364 20 0 BDADRP C[C@H]1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)O1 ZINC000322401582 636863645 /nfs/dbraw/zinc/86/36/45/636863645.db2.gz VCMXVCHFPCDXIT-WYTNZGFTSA-N 2 0 238.375 1.769 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@H]1CCCO1 ZINC000924629907 636945349 /nfs/dbraw/zinc/94/53/49/636945349.db2.gz SYIPFYLEMFFNLN-RBKKPWLPSA-N 2 0 238.375 1.485 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@@H]1CCCO1 ZINC000924629908 636946060 /nfs/dbraw/zinc/94/60/60/636946060.db2.gz SYIPFYLEMFFNLN-WJLOJVBCSA-N 2 0 238.375 1.485 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)C(C)(C)CO)C1 ZINC000924706588 637015632 /nfs/dbraw/zinc/01/56/32/637015632.db2.gz QEDGGYVBSQOTEG-NEPJUHHUSA-N 2 0 228.380 1.325 20 0 BDADRP C[C@H]1CCCN(C[C@H]2CCC[NH2+]2)[C@H]1CC[NH3+] ZINC000903461644 637362566 /nfs/dbraw/zinc/36/25/66/637362566.db2.gz XEADWHYYJCAKTM-XQQFMLRXSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)C[C@H]1CC1(C)C ZINC000903464830 637362998 /nfs/dbraw/zinc/36/29/98/637362998.db2.gz YDFJJOPYCFSIAU-GRYCIOLGSA-N 2 0 210.365 1.820 20 0 BDADRP CCO[C@H](CN1CCCC[C@H]1C[NH2+]C)C1CC1 ZINC000903529079 637368646 /nfs/dbraw/zinc/36/86/46/637368646.db2.gz HAIHMHQRKYNOJV-UONOGXRCSA-N 2 0 240.391 1.875 20 0 BDADRP Cn1nccc1[C@H]1CCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903566715 637371078 /nfs/dbraw/zinc/37/10/78/637371078.db2.gz ZDCCTLOEBHWWCK-MBNYWOFBSA-N 2 0 248.374 1.684 20 0 BDADRP CC1(C)CCC[N@@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903727089 637379536 /nfs/dbraw/zinc/37/95/36/637379536.db2.gz QCSWEWKDZCRVBF-OCCSQVGLSA-N 2 0 238.375 1.629 20 0 BDADRP CC[N@H+](C[C@@H]1CCOC1)C[C@@H]1CCCC[NH2+]C1 ZINC000903722109 637380048 /nfs/dbraw/zinc/38/00/48/637380048.db2.gz HEUQIPQHDWKWPX-KGLIPLIRSA-N 2 0 240.391 1.735 20 0 BDADRP CC(C)[C@H](C)[N@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722251 637380404 /nfs/dbraw/zinc/38/04/04/637380404.db2.gz JQIMQDAYDAXIOC-BFHYXJOUSA-N 2 0 240.391 1.731 20 0 BDADRP CC[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903721987 637380357 /nfs/dbraw/zinc/38/03/57/637380357.db2.gz GSVIWTRPJXXNNY-HZSPNIEDSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1C[C@H]1CCCC[NH2+]C1 ZINC000903786695 637381736 /nfs/dbraw/zinc/38/17/36/637381736.db2.gz PDVYRYDOCUQYRK-XUXIUFHCSA-N 2 0 239.407 1.447 20 0 BDADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCc1ccncc1)C2 ZINC000903841126 637384945 /nfs/dbraw/zinc/38/49/45/637384945.db2.gz BCWFNIQPZLFOFF-ZNMIVQPWSA-N 2 0 245.370 1.826 20 0 BDADRP COCC(C)(C)CN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000904430656 637400259 /nfs/dbraw/zinc/40/02/59/637400259.db2.gz RZLSCPVKIMEYKW-CQSZACIVSA-N 2 0 240.391 1.877 20 0 BDADRP C(CN1CC[C@]2(C1)CCCC[NH2+]2)[C@@H]1CCOC1 ZINC000904430647 637400923 /nfs/dbraw/zinc/40/09/23/637400923.db2.gz RXZZUMVZSZRWOY-KGLIPLIRSA-N 2 0 238.375 1.631 20 0 BDADRP C[C@@H]1C[C@@H](C[N@H+](C)Cc2cccc(=O)[nH]2)CC[NH2+]1 ZINC000904442733 637410992 /nfs/dbraw/zinc/41/09/92/637410992.db2.gz GFNVALRZLYSOLM-NEPJUHHUSA-N 2 0 249.358 1.607 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+][C@]23C[C@H]2CCC3)CC[NH2+]1 ZINC000904444944 637413729 /nfs/dbraw/zinc/41/37/29/637413729.db2.gz UAYNWGGEPDSWBH-YVECIDJPSA-N 2 0 208.349 1.907 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1cncs1 ZINC000904468895 637424040 /nfs/dbraw/zinc/42/40/40/637424040.db2.gz GHLPLERSODXHOO-VIFPVBQESA-N 2 0 225.361 1.793 20 0 BDADRP CSCC(C)(C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000904475121 637425889 /nfs/dbraw/zinc/42/58/89/637425889.db2.gz IPCJECGJRMKDQJ-UHFFFAOYSA-N 2 0 214.378 1.470 20 0 BDADRP [NH3+]Cc1ccccc1NCC12CC(C1)C[NH2+]2 ZINC000904486081 637428602 /nfs/dbraw/zinc/42/86/02/637428602.db2.gz RBGQNPFWZXYTTR-UHFFFAOYSA-N 2 0 217.316 1.309 20 0 BDADRP CCCN(C(=O)[C@](C)([NH3+])CCC)[C@@H]1CC[NH2+]C1 ZINC000904926883 637531299 /nfs/dbraw/zinc/53/12/99/637531299.db2.gz YGRAEDHBUNNJAJ-DGCLKSJQSA-N 2 0 241.379 1.104 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000904931149 637534200 /nfs/dbraw/zinc/53/42/00/637534200.db2.gz JLUTXYMIQVAHOY-KQXIARHKSA-N 2 0 241.379 1.007 20 0 BDADRP CC(C)N(C)Cc1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000905059897 637591821 /nfs/dbraw/zinc/59/18/21/637591821.db2.gz YEQNUJLSQQWWSD-LBPRGKRZSA-N 2 0 237.351 1.043 20 0 BDADRP CCC[C@H](C)CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000905423872 637811180 /nfs/dbraw/zinc/81/11/80/637811180.db2.gz XQWYRNXZMSKHRD-KBPBESRZSA-N 2 0 242.407 1.859 20 0 BDADRP COCc1cccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)c1 ZINC000906508001 638180266 /nfs/dbraw/zinc/18/02/66/638180266.db2.gz GUEJOJGQWXIAMX-JOCQHMNTSA-N 2 0 220.316 1.412 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC000906508676 638182279 /nfs/dbraw/zinc/18/22/79/638182279.db2.gz UJAREXSITVWDRX-MTWFLMKHSA-N 2 0 202.301 1.779 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+]C2CC([NH3+])C2)CCO1 ZINC000906510126 638183435 /nfs/dbraw/zinc/18/34/35/638183435.db2.gz NDEVMAFQERYNKY-HBIQZDMRSA-N 2 0 212.337 1.271 20 0 BDADRP CC[C@@H]1C[C@@H](C[NH2+][C@H]2C[C@H]([NH3+])C2)CCO1 ZINC000906517339 638187192 /nfs/dbraw/zinc/18/71/92/638187192.db2.gz NDEVMAFQERYNKY-FIQHERPVSA-N 2 0 212.337 1.271 20 0 BDADRP CC[C@H]1C[C@H](C[NH2+][C@H]2C[C@H]([NH3+])C2)CCO1 ZINC000906517340 638187235 /nfs/dbraw/zinc/18/72/35/638187235.db2.gz NDEVMAFQERYNKY-KKOKHZNYSA-N 2 0 212.337 1.271 20 0 BDADRP [NH3+][C@H]1C[C@H](N[C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000906518903 638187474 /nfs/dbraw/zinc/18/74/74/638187474.db2.gz UODZOTLCPKVPKT-AJNGGQMLSA-N 2 0 245.370 1.559 20 0 BDADRP C[C@@H](C[NH2+][C@H]1C[C@H]([NH3+])C1)Cc1ccccc1 ZINC000906517729 638187821 /nfs/dbraw/zinc/18/78/21/638187821.db2.gz OBXUYIBPPCCRHG-MRVWCRGKSA-N 2 0 218.344 1.945 20 0 BDADRP CCCC[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000906529714 638194937 /nfs/dbraw/zinc/19/49/37/638194937.db2.gz TYXQDIXXXCFPSE-CYBMUJFWSA-N 2 0 239.407 1.545 20 0 BDADRP CCCCN1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000906534388 638202383 /nfs/dbraw/zinc/20/23/83/638202383.db2.gz PLBAYBBEMMIECI-ZIAGYGMSSA-N 2 0 241.423 1.458 20 0 BDADRP [NH3+]Cc1cccc(NC(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c1 ZINC000911648473 639703261 /nfs/dbraw/zinc/70/32/61/639703261.db2.gz KLSVNZDWZOLXEG-YNEHKIRRSA-N 2 0 245.326 1.224 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)C2CC([NH2+]C)C2)c1 ZINC000911688567 639728041 /nfs/dbraw/zinc/72/80/41/639728041.db2.gz QWPIVOWLDPDCTQ-UHFFFAOYSA-N 2 0 247.342 1.343 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)CC(C)(C)C[NH3+])c1 ZINC000911691588 639728051 /nfs/dbraw/zinc/72/80/51/639728051.db2.gz BZZIICNAYNWQPU-UHFFFAOYSA-N 2 0 249.358 1.720 20 0 BDADRP CC(C)C[C@@](C)(C[NH3+])C(=O)NC[C@H]([NH3+])C(C)C ZINC000911827417 639839968 /nfs/dbraw/zinc/83/99/68/639839968.db2.gz UVBXVPKWOSYPLA-AAEUAGOBSA-N 2 0 243.395 1.097 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)C[C@@H]([NH3+])C(C)(C)C ZINC000911858866 639850516 /nfs/dbraw/zinc/85/05/16/639850516.db2.gz WCYMOBVTJZJWHH-SNVBAGLBSA-N 2 0 243.395 1.384 20 0 BDADRP CC[C@H](C)C[C@H]([NH3+])C(=O)NCC([NH3+])(CC)CC ZINC000911858469 639862129 /nfs/dbraw/zinc/86/21/29/639862129.db2.gz RODQQBQFAAZCHC-QWRGUYRKSA-N 2 0 243.395 1.384 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1CC[NH2+][C@H](C)C1 ZINC000911881758 639867401 /nfs/dbraw/zinc/86/74/01/639867401.db2.gz RWQQKBPKVPAIJS-IJLUTSLNSA-N 2 0 241.379 1.008 20 0 BDADRP CC[C@@H](CO)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000930806707 639914401 /nfs/dbraw/zinc/91/44/01/639914401.db2.gz VMUCQXLYKZKJEW-ZDUSSCGKSA-N 2 0 249.358 1.365 20 0 BDADRP C[C@@H](C1CC1)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000931066264 640052618 /nfs/dbraw/zinc/05/26/18/640052618.db2.gz HRZIVFZWHHXMNQ-FZMZJTMJSA-N 2 0 238.375 1.316 20 0 BDADRP C[C@H](C1CC1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000931076047 640058385 /nfs/dbraw/zinc/05/83/85/640058385.db2.gz MWLNFGIUDMBZGI-TZMCWYRMSA-N 2 0 240.391 1.828 20 0 BDADRP CSCCC[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931435166 640203663 /nfs/dbraw/zinc/20/36/63/640203663.db2.gz HUCVSVYPSFVLGZ-NWDGAFQWSA-N 2 0 228.405 1.623 20 0 BDADRP CC[C@H](CO)[NH+]1CCC(CC)([NH+](C)C)CC1 ZINC000931472564 640229122 /nfs/dbraw/zinc/22/91/22/640229122.db2.gz UTGRKDJOKXDEJR-GFCCVEGCSA-N 2 0 228.380 1.564 20 0 BDADRP C[N@@H+]1CC[C@H]2CN(CCOC3CC3)CC[C@H]21 ZINC000931548281 640266674 /nfs/dbraw/zinc/26/66/74/640266674.db2.gz XXXFOQYURXEDJO-WCQYABFASA-N 2 0 224.348 1.191 20 0 BDADRP COC/C(C)=C/CN1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000931547797 640268570 /nfs/dbraw/zinc/26/85/70/640268570.db2.gz SXSUORBFYONINC-AQIXGVPMSA-N 2 0 238.375 1.605 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000931717856 640333446 /nfs/dbraw/zinc/33/34/46/640333446.db2.gz DYTLSECSQDBEBE-DGAVXFQQSA-N 2 0 238.375 1.580 20 0 BDADRP CC[C@@H](CO)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000931763349 640355860 /nfs/dbraw/zinc/35/58/60/640355860.db2.gz GLSXFWDHJLNGMF-OLZOCXBDSA-N 2 0 249.358 1.363 20 0 BDADRP C[NH+]1CCC(C[NH2+]C2CCSCC2)CC1 ZINC000044516320 640398838 /nfs/dbraw/zinc/39/88/38/640398838.db2.gz PVHVNXSQRXXARQ-UHFFFAOYSA-N 2 0 228.405 1.813 20 0 BDADRP CC(C)C[NH+]1CCN(c2cc[nH+]c(CO)c2)CC1 ZINC000055080523 640434804 /nfs/dbraw/zinc/43/48/04/640434804.db2.gz NBHRFVAJORFPTP-UHFFFAOYSA-N 2 0 249.358 1.352 20 0 BDADRP C[NH+]1CCC(C[NH2+]CC[C@H]2CCCCO2)CC1 ZINC000223825771 640589381 /nfs/dbraw/zinc/58/93/81/640589381.db2.gz IAMDTJBYGIIKNP-CQSZACIVSA-N 2 0 240.391 1.877 20 0 BDADRP C[N@H+](CC1CC[NH+](C)CC1)[C@@H]1CCCC[C@H]1O ZINC000226247252 640742195 /nfs/dbraw/zinc/74/21/95/640742195.db2.gz POQHGMVORACDBZ-ZIAGYGMSSA-N 2 0 240.391 1.564 20 0 BDADRP C[C@H]([NH3+])CN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000226317403 640748004 /nfs/dbraw/zinc/74/80/04/640748004.db2.gz XMJICVSSEPZGPS-RYUDHWBXSA-N 2 0 213.369 1.140 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933734840 640758399 /nfs/dbraw/zinc/75/83/99/640758399.db2.gz SCQPXAGFTVPNRL-RFQIPJPRSA-N 2 0 238.375 1.295 20 0 BDADRP CC(C)[C@H](O)CC[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933734338 640759179 /nfs/dbraw/zinc/75/91/79/640759179.db2.gz OGFFPACOXPYTHE-BFHYXJOUSA-N 2 0 240.391 1.277 20 0 BDADRP [NH3+]CC1CC[NH+](CCc2cccs2)CC1 ZINC000059600444 640821173 /nfs/dbraw/zinc/82/11/73/640821173.db2.gz XPLRKXYDXZWTBS-UHFFFAOYSA-N 2 0 224.373 1.961 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(CO)c1 ZINC000227456465 640833689 /nfs/dbraw/zinc/83/36/89/640833689.db2.gz NTZCOEQGXMMQJZ-HUUCEWRRSA-N 2 0 248.370 1.786 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)CCOCC1CC1 ZINC000087399792 640883453 /nfs/dbraw/zinc/88/34/53/640883453.db2.gz DSKVPQBRSFCGOZ-YPMHNXCESA-N 2 0 226.364 1.200 20 0 BDADRP O[C@@H](C[NH2+]CCC1CCC1)C[NH+]1CCCC1 ZINC000229095447 640921377 /nfs/dbraw/zinc/92/13/77/640921377.db2.gz DTLVMCUCRWVUHF-ZDUSSCGKSA-N 2 0 226.364 1.223 20 0 BDADRP CCC(CC)(CO)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000087647103 640955566 /nfs/dbraw/zinc/95/55/66/640955566.db2.gz QQPLNARKHLRPRD-NSHDSACASA-N 2 0 214.353 1.127 20 0 BDADRP CC(C)(C)NC(=[NH2+])NCCC[NH+]1CCCC1 ZINC000062072531 641019896 /nfs/dbraw/zinc/01/98/96/641019896.db2.gz ZDYVLQFWOHIQSJ-UHFFFAOYSA-N 2 0 226.368 1.385 20 0 BDADRP CC(C)[C@@H](CCO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000231072322 641135982 /nfs/dbraw/zinc/13/59/82/641135982.db2.gz GMWZRWSJVLPFRM-WTUNAVPPSA-N 2 0 240.391 1.608 20 0 BDADRP Cn1nccc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063197364 641146383 /nfs/dbraw/zinc/14/63/83/641146383.db2.gz DRHPBDMZLREZHK-CQSZACIVSA-N 2 0 248.374 1.384 20 0 BDADRP Cn1cccc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000050596275 641191903 /nfs/dbraw/zinc/19/19/03/641191903.db2.gz WARZRCFZAAKIJM-UHFFFAOYSA-N 2 0 221.348 1.457 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CC=CC[C@H]1C ZINC000934621782 641211406 /nfs/dbraw/zinc/21/14/06/641211406.db2.gz LLUCYNSCKLWGPR-JHJVBQTASA-N 2 0 226.364 1.243 20 0 BDADRP C[C@@H]1CC=CC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000934626842 641223596 /nfs/dbraw/zinc/22/35/96/641223596.db2.gz ZHSCDKRCTXGMFX-HZSPNIEDSA-N 2 0 238.375 1.387 20 0 BDADRP C[C@H]1C[C@@H]1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261553186 641444878 /nfs/dbraw/zinc/44/48/78/641444878.db2.gz SHGKIVNOEZGYBT-KZKMVBDOSA-N 2 0 208.349 1.857 20 0 BDADRP COc1ccccc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000089147086 641465786 /nfs/dbraw/zinc/46/57/86/641465786.db2.gz WZQVDOMJXSLSIR-AAEUAGOBSA-N 2 0 234.343 1.912 20 0 BDADRP CC[N@H+](CCC[NH2+]C1CC1)C[C@H]1CCCO1 ZINC000042470412 641550898 /nfs/dbraw/zinc/55/08/98/641550898.db2.gz RCXHBRLWYJRTIS-CYBMUJFWSA-N 2 0 226.364 1.629 20 0 BDADRP C[NH+](C)CC1CC[NH+](CCCCCC[NH3+])CC1 ZINC000042388559 641551554 /nfs/dbraw/zinc/55/15/54/641551554.db2.gz CXYMOXKAAXZRPT-UHFFFAOYSA-N 3 0 241.423 1.779 20 0 BDADRP Cn1cc(C[N@H+](C)CCCCCC[NH3+])cn1 ZINC000042489397 641553932 /nfs/dbraw/zinc/55/39/32/641553932.db2.gz CJJYCAAVRGLVJD-UHFFFAOYSA-N 2 0 224.352 1.371 20 0 BDADRP CC[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCS1 ZINC000158591349 641642101 /nfs/dbraw/zinc/64/21/01/641642101.db2.gz OHUVJQRKXFFCAO-LBPRGKRZSA-N 2 0 228.405 1.813 20 0 BDADRP CC(C)OCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000158922446 641658059 /nfs/dbraw/zinc/65/80/59/641658059.db2.gz BKYRMIKDCGFRRC-NWDGAFQWSA-N 2 0 214.353 1.519 20 0 BDADRP CC(C)OCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000158922299 641658324 /nfs/dbraw/zinc/65/83/24/641658324.db2.gz BKYRMIKDCGFRRC-NEPJUHHUSA-N 2 0 214.353 1.519 20 0 BDADRP OCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000090079515 641696419 /nfs/dbraw/zinc/69/64/19/641696419.db2.gz FRUWOLCPYSGRER-MCIONIFRSA-N 2 0 238.375 1.364 20 0 BDADRP CC(C)[C@@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000232708467 641794590 /nfs/dbraw/zinc/79/45/90/641794590.db2.gz MSLBPHBVIHPQMT-AGIUHOORSA-N 2 0 210.365 1.962 20 0 BDADRP C[N@H+](CCc1ccncc1)CC1CC[NH+](C)CC1 ZINC000154703656 642188480 /nfs/dbraw/zinc/18/84/80/642188480.db2.gz KMKXOIVBPAQRMY-UHFFFAOYSA-N 2 0 247.386 1.898 20 0 BDADRP COCC1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000069631571 642406681 /nfs/dbraw/zinc/40/66/81/642406681.db2.gz BUMLGYAXCFAVHX-UHFFFAOYSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]Cc1cccc2c1OCO2 ZINC000309412201 642456071 /nfs/dbraw/zinc/45/60/71/642456071.db2.gz WUVDPSPTOJLZQD-VIFPVBQESA-N 2 0 222.288 1.100 20 0 BDADRP C[C@@H](c1ccncc1)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000257695553 642508283 /nfs/dbraw/zinc/50/82/83/642508283.db2.gz KCQAURRHXLWITB-NWDGAFQWSA-N 2 0 219.332 1.813 20 0 BDADRP C[NH+](C)C1(CN[C@H]2CCCC[C@H]2C[NH3+])CCC1 ZINC000097929579 642641743 /nfs/dbraw/zinc/64/17/43/642641743.db2.gz ZHMHYZOMGABNEW-STQMWFEESA-N 2 0 239.407 1.578 20 0 BDADRP C[NH+](C)C1(CN[C@@H]2CCCC[C@H]2C[NH3+])CCC1 ZINC000097929578 642643207 /nfs/dbraw/zinc/64/32/07/642643207.db2.gz ZHMHYZOMGABNEW-QWHCGFSZSA-N 2 0 239.407 1.578 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[NH2+]C2)C1(C)C ZINC000233786115 642694522 /nfs/dbraw/zinc/69/45/22/642694522.db2.gz PJTXGJAXWGCHOK-IJLUTSLNSA-N 2 0 226.364 1.389 20 0 BDADRP C[N@H+](C[C@@H](O)C1CC1)CC1CC[NH+](C)CC1 ZINC000068909561 642808150 /nfs/dbraw/zinc/80/81/50/642808150.db2.gz YSCTXUSOTDLBQU-CYBMUJFWSA-N 2 0 226.364 1.031 20 0 BDADRP CSCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000068994775 642818874 /nfs/dbraw/zinc/81/88/74/642818874.db2.gz CMPKLBDZYZWXBJ-FGWVZKOKSA-N 2 0 214.378 1.564 20 0 BDADRP CN(CC[NH2+]C(C)(C)C)C[C@H]1CC[N@H+](C)C1 ZINC000070821872 643073299 /nfs/dbraw/zinc/07/32/99/643073299.db2.gz RNWPQJVRWQFRAI-LBPRGKRZSA-N 2 0 227.396 1.258 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCOC1 ZINC000070963772 643088244 /nfs/dbraw/zinc/08/82/44/643088244.db2.gz JFSYFSWPXJHLGK-OLZOCXBDSA-N 2 0 228.380 1.875 20 0 BDADRP [NH3+]CCCCCC(=O)NCC[NH+]1CCCCC1 ZINC000049575463 643089095 /nfs/dbraw/zinc/08/90/95/643089095.db2.gz VPGDCSHZOGVQID-UHFFFAOYSA-N 2 0 241.379 1.108 20 0 BDADRP CC(C)[NH2+][C@@H]1CCCN(CC[NH+]2CCCC2)C1 ZINC000071199493 643107930 /nfs/dbraw/zinc/10/79/30/643107930.db2.gz PFFORIRZRCFOBR-CQSZACIVSA-N 2 0 239.407 1.545 20 0 BDADRP CC[C@@H]1COCC[N@@H+]1CCCCCC[NH3+] ZINC000036326933 643145686 /nfs/dbraw/zinc/14/56/86/643145686.db2.gz PGCKYAUQVISMQK-GFCCVEGCSA-N 2 0 214.353 1.616 20 0 BDADRP CCC(CC)[C@H](CNC(NC)=[NH+]C)[NH+](C)C ZINC000066245184 643165013 /nfs/dbraw/zinc/16/50/13/643165013.db2.gz RBNCQARZJULJQS-NSHDSACASA-N 2 0 228.384 1.148 20 0 BDADRP CCC[N@H+](CC)CCNC(NC1CC1)=[NH+]C ZINC000081781427 643293363 /nfs/dbraw/zinc/29/33/63/643293363.db2.gz AMKUNJUWICPQGV-UHFFFAOYSA-N 2 0 226.368 1.046 20 0 BDADRP [NH3+]CCCCCCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000843387047 643361903 /nfs/dbraw/zinc/36/19/03/643361903.db2.gz OAJCNBXGBAPRDE-UONOGXRCSA-N 3 0 239.407 1.579 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000083069211 643407110 /nfs/dbraw/zinc/40/71/10/643407110.db2.gz HSEAPEAEXIEFQY-ZDUSSCGKSA-N 3 0 227.396 1.389 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1ccccn1 ZINC000084218040 643651486 /nfs/dbraw/zinc/65/14/86/643651486.db2.gz XBYSUYRFLGCEPR-DMDPSCGWSA-N 2 0 219.332 1.860 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](CCCCCC[NH3+])C[C@H]1C[NH3+] ZINC000846222444 643652138 /nfs/dbraw/zinc/65/21/38/643652138.db2.gz CTTNEWAQPHSHPG-HZSPNIEDSA-N 3 0 241.423 1.811 20 0 BDADRP CCN1CCC[C@@H]1C[NH2+]C[C@@H]1CCC=CO1 ZINC000050267406 643671372 /nfs/dbraw/zinc/67/13/72/643671372.db2.gz JDQNPNMQBNOEQX-OLZOCXBDSA-N 2 0 224.348 1.753 20 0 BDADRP CC[NH+](CC)CCCNc1cc(C)[nH+]c(N)n1 ZINC000085121435 643684553 /nfs/dbraw/zinc/68/45/53/643684553.db2.gz VKDRNRBUNVAKOK-UHFFFAOYSA-N 2 0 237.351 1.511 20 0 BDADRP CO[C@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000050368584 643690791 /nfs/dbraw/zinc/69/07/91/643690791.db2.gz JHMUZKBZONZGNM-YUSLTOFOSA-N 2 0 238.375 1.769 20 0 BDADRP C[NH+]1CCC(C[NH2+]C[C@H]2CCCC[C@@H]2O)CC1 ZINC000085966137 643865809 /nfs/dbraw/zinc/86/58/09/643865809.db2.gz KSUUTHUGEINBQE-KGLIPLIRSA-N 2 0 240.391 1.469 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000922820751 644110103 /nfs/dbraw/zinc/11/01/03/644110103.db2.gz JIDJALRDXCYLIM-MCIONIFRSA-N 2 0 240.391 1.754 20 0 BDADRP [NH3+]C[C@H]1CCC[N@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC000923281606 644315976 /nfs/dbraw/zinc/31/59/76/644315976.db2.gz QGCMHXWGKKCCHC-CABCVRRESA-N 2 0 248.370 1.261 20 0 BDADRP C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923299984 644325832 /nfs/dbraw/zinc/32/58/32/644325832.db2.gz KMUILTYWRCTQLR-XQQFMLRXSA-N 2 0 238.375 1.628 20 0 BDADRP C[N@H+](CCC[NH3+])CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923290901 644326170 /nfs/dbraw/zinc/32/61/70/644326170.db2.gz MHZWECPWSWMVDJ-YHWZYXNKSA-N 3 0 225.380 1.188 20 0 BDADRP C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923299982 644327039 /nfs/dbraw/zinc/32/70/39/644327039.db2.gz KMUILTYWRCTQLR-JHJVBQTASA-N 2 0 238.375 1.628 20 0 BDADRP CC(C)CC[C@H](O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000923295724 644332668 /nfs/dbraw/zinc/33/26/68/644332668.db2.gz FQIPTKFNBKWZML-STQMWFEESA-N 2 0 228.380 1.501 20 0 BDADRP C[C@](C[NH3+])([NH2+]C[C@H](O)CC1CCCC1)C1CC1 ZINC000923295785 644332739 /nfs/dbraw/zinc/33/27/39/644332739.db2.gz HFTDHESYCYIGCQ-ZIAGYGMSSA-N 2 0 240.391 1.645 20 0 BDADRP CC(C)[C@](C)(C[NH3+])NCCC[NH2+]C1CC1 ZINC000923296306 644335160 /nfs/dbraw/zinc/33/51/60/644335160.db2.gz QKDMXMHSWSMBQR-LBPRGKRZSA-N 2 0 213.369 1.092 20 0 BDADRP CC(C)[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923307995 644338587 /nfs/dbraw/zinc/33/85/87/644338587.db2.gz YOYIWIXEIVEKAK-LBPRGKRZSA-N 2 0 224.348 1.238 20 0 BDADRP CC1(C)CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923313942 644340700 /nfs/dbraw/zinc/34/07/00/644340700.db2.gz NNKMAOQGZPIBTQ-SRVKXCTJSA-N 2 0 226.364 1.349 20 0 BDADRP C[C@@H]1CC[C@H](C)[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923316589 644343113 /nfs/dbraw/zinc/34/31/13/644343113.db2.gz PJCHNKKIEMQXAJ-AGIUHOORSA-N 2 0 238.375 1.485 20 0 BDADRP CCC(CC)(CC)[NH2+]C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923318485 644343340 /nfs/dbraw/zinc/34/33/40/644343340.db2.gz LIHJSWVBBMIXIX-GFCCVEGCSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H](O)CC[N@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923315059 644343417 /nfs/dbraw/zinc/34/34/17/644343417.db2.gz CZJVIXUCLJZWOA-FUDCBSFHSA-N 2 0 240.391 1.610 20 0 BDADRP CC[C@@]1(C)CC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923315965 644343710 /nfs/dbraw/zinc/34/37/10/644343710.db2.gz AEVARYZDGBIKRR-OLZOCXBDSA-N 2 0 238.375 1.487 20 0 BDADRP CCC[C@H]1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923316325 644344006 /nfs/dbraw/zinc/34/40/06/644344006.db2.gz HQVYFYAJGDERCL-CYDGBPFRSA-N 2 0 226.364 1.349 20 0 BDADRP C[C@@H](O)CC[N@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923315060 644345131 /nfs/dbraw/zinc/34/51/31/644345131.db2.gz CZJVIXUCLJZWOA-RLAWYHOSSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@H](C[N@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O)c1ccccc1 ZINC000923312050 644346916 /nfs/dbraw/zinc/34/69/16/644346916.db2.gz GYFTZPTYTIPSOH-UNQGMJICSA-N 2 0 248.370 1.573 20 0 BDADRP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1cn[nH]c1 ZINC000923326338 644352421 /nfs/dbraw/zinc/35/24/21/644352421.db2.gz XWRPBIZAMLKKOV-QXMXGUDHSA-N 2 0 248.374 1.762 20 0 BDADRP CC[N@H+](C)C[C@@H]1CCN(CCC[NH2+]C2CC2)C1 ZINC000923327505 644353135 /nfs/dbraw/zinc/35/31/35/644353135.db2.gz UEGNCLDZIYNGBG-ZDUSSCGKSA-N 2 0 239.407 1.402 20 0 BDADRP CCOCCOCC[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000923348984 644362222 /nfs/dbraw/zinc/36/22/22/644362222.db2.gz NBAQPAKHFPHTTJ-ZDUSSCGKSA-N 2 0 244.379 1.100 20 0 BDADRP CCOCCOCC[N@@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000923346453 644365357 /nfs/dbraw/zinc/36/53/57/644365357.db2.gz XZPOOYSZNRGUBX-STQMWFEESA-N 2 0 244.379 1.099 20 0 BDADRP CC[C@H](NC(C[NH3+])C[NH3+])c1ccc(Cl)cc1 ZINC000923351339 644367023 /nfs/dbraw/zinc/36/70/23/644367023.db2.gz IWPKDJFOFJMYGQ-LBPRGKRZSA-N 2 0 241.766 1.667 20 0 BDADRP CC(C)CC[C@H](O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000923357945 644367887 /nfs/dbraw/zinc/36/78/87/644367887.db2.gz BMACFMBLMPQTSR-RDBSUJKOSA-N 2 0 240.391 1.467 20 0 BDADRP CCCCCC[C@H](O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000923356894 644376288 /nfs/dbraw/zinc/37/62/88/644376288.db2.gz VOMRJNMLPGYGBM-KBPBESRZSA-N 2 0 242.407 1.988 20 0 BDADRP CCOCCOCC[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000923369273 644381966 /nfs/dbraw/zinc/38/19/66/644381966.db2.gz JJMNNNSRKUYWAR-GFCCVEGCSA-N 2 0 244.379 1.017 20 0 BDADRP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCCC[NH2+]C1CC1 ZINC000923371719 644383079 /nfs/dbraw/zinc/38/30/79/644383079.db2.gz ZSGKDXFNIXMPEP-MDZLAQPJSA-N 2 0 225.380 1.105 20 0 BDADRP CC[C@@H]1[C@H](C)CC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923376297 644389395 /nfs/dbraw/zinc/38/93/95/644389395.db2.gz KSJGFIQKHKKEEC-FRRDWIJNSA-N 2 0 238.375 1.485 20 0 BDADRP C[C@@H]([NH2+][C@H]1C[C@H]([NH3+])C[C@@H]1O)c1ccccc1 ZINC000923377435 644390528 /nfs/dbraw/zinc/39/05/28/644390528.db2.gz UDCKYKYOWXKSCE-IXOXFDKPSA-N 2 0 220.316 1.188 20 0 BDADRP CC1(C)CCC[C@H]1[NH2+][C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923376348 644391897 /nfs/dbraw/zinc/39/18/97/644391897.db2.gz AETOUCQKMGGOAL-XWLWVQCSSA-N 2 0 212.337 1.005 20 0 BDADRP [NH3+]CCC1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000923389797 644396036 /nfs/dbraw/zinc/39/60/36/644396036.db2.gz YJWBKGUWQCDXHD-UHFFFAOYSA-N 3 0 225.380 1.189 20 0 BDADRP CC(C)CC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000923391915 644399321 /nfs/dbraw/zinc/39/93/21/644399321.db2.gz GRXAIOZNGAEZIO-AVGNSLFASA-N 2 0 228.380 1.595 20 0 BDADRP O[C@@H]1CCC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923387482 644399824 /nfs/dbraw/zinc/39/98/24/644399824.db2.gz OOWKEXDUVYLEDR-WTUNAVPPSA-N 2 0 238.375 1.364 20 0 BDADRP COC(=O)[C@H]1C[C@@H]([N@H+](C)CCC[NH2+]C2CC2)C1 ZINC000923395388 644402886 /nfs/dbraw/zinc/40/28/86/644402886.db2.gz KPZQKCDILAEZAK-KLPPZKSPSA-N 2 0 240.347 1.012 20 0 BDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC000923423794 644419602 /nfs/dbraw/zinc/41/96/02/644419602.db2.gz ZLGJFERGEBOEOL-AGIUHOORSA-N 2 0 234.343 1.435 20 0 BDADRP C[C@@H]1C[N@H+](CCC[NH2+]C2CC2)C[C@H]1CC[NH3+] ZINC000923429075 644421736 /nfs/dbraw/zinc/42/17/36/644421736.db2.gz OHICOPDBWKAUQW-VXGBXAGGSA-N 2 0 225.380 1.045 20 0 BDADRP C[C@@H]1[C@H](C)NC[C@H](C)[N@H+]1CC1CC[NH2+]CC1 ZINC000923435919 644427665 /nfs/dbraw/zinc/42/76/65/644427665.db2.gz KVSKKVHLMHUQKH-SDDRHHMPSA-N 2 0 225.380 1.057 20 0 BDADRP C[C@H]1C[N@H+](CCOC(F)F)CC[C@@H]1C[NH3+] ZINC000923490318 644465063 /nfs/dbraw/zinc/46/50/63/644465063.db2.gz MTXGLYDQUNKYHR-DTWKUNHWSA-N 2 0 222.279 1.142 20 0 BDADRP CCc1cccc(CN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000923460420 644446870 /nfs/dbraw/zinc/44/68/70/644446870.db2.gz SBTVQGZQUZTJSG-UHFFFAOYSA-N 2 0 247.386 1.244 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000923483538 644460409 /nfs/dbraw/zinc/46/04/09/644460409.db2.gz BQSOALZRIBUBBG-STQMWFEESA-N 3 0 225.380 1.047 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1)C1CCC1 ZINC000923488935 644465228 /nfs/dbraw/zinc/46/52/28/644465228.db2.gz IFISRAFHWNFFLO-MRVWCRGKSA-N 2 0 240.391 1.718 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923490968 644465440 /nfs/dbraw/zinc/46/54/40/644465440.db2.gz PJTLIJUBLWJQHB-XQHKEYJVSA-N 2 0 226.364 1.328 20 0 BDADRP Cc1cc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c(C)nn1 ZINC000923490572 644465824 /nfs/dbraw/zinc/46/58/24/644465824.db2.gz DNLNAHJCOMEJAH-ZWNOBZJWSA-N 2 0 248.374 1.510 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]C2CCC(O)CC2)C1 ZINC000086401877 644467328 /nfs/dbraw/zinc/46/73/28/644467328.db2.gz FGUDLXUDTWXFCL-VOBJUBJWSA-N 2 0 212.337 1.149 20 0 BDADRP Cc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)nc(C)n1 ZINC000923492695 644467721 /nfs/dbraw/zinc/46/77/21/644467721.db2.gz CAHMSHVSMKXWBA-MFKMUULPSA-N 2 0 248.374 1.510 20 0 BDADRP Cc1cc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)ccn1 ZINC000923491912 644468324 /nfs/dbraw/zinc/46/83/24/644468324.db2.gz VBKLJTVCZSWWPG-SMDDNHRTSA-N 2 0 233.359 1.807 20 0 BDADRP Cc1ncc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)s1 ZINC000923491525 644468780 /nfs/dbraw/zinc/46/87/80/644468780.db2.gz IJNTWSCYKIBMPV-ONGXEEELSA-N 2 0 239.388 1.868 20 0 BDADRP Cc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)ncn1 ZINC000923493494 644471089 /nfs/dbraw/zinc/47/10/89/644471089.db2.gz HFJMTEISVLECLT-PWSUYJOCSA-N 2 0 234.347 1.202 20 0 BDADRP C[C@H]1C[N@H+](Cc2cc3n(n2)CCC3)CC[C@H]1C[NH3+] ZINC000923494911 644471351 /nfs/dbraw/zinc/47/13/51/644471351.db2.gz QLSWUASYYNRDSC-RYUDHWBXSA-N 2 0 248.374 1.246 20 0 BDADRP C[C@H]1C[N@H+](Cc2nccs2)CC[C@@H]1C[NH3+] ZINC000923499859 644473430 /nfs/dbraw/zinc/47/34/30/644473430.db2.gz MNVSBTQMRLYCKX-VHSXEESVSA-N 2 0 225.361 1.560 20 0 BDADRP C[C@H](O)C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923508699 644478225 /nfs/dbraw/zinc/47/82/25/644478225.db2.gz MKVSAWVRMIYEND-STQMWFEESA-N 2 0 240.391 1.469 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923531100 644487946 /nfs/dbraw/zinc/48/79/46/644487946.db2.gz PBENCFQMKDWYFP-MJBXVCDLSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@H](CCCO)[NH2+]CC1CC[NH+](C)CC1 ZINC000087358205 644491268 /nfs/dbraw/zinc/49/12/68/644491268.db2.gz QEBGMFRXTHPFNS-LLVKDONJSA-N 2 0 214.353 1.079 20 0 BDADRP C[NH2+]CCCN1C[C@@H](CC[NH3+])Cc2ccccc21 ZINC000923545890 644492887 /nfs/dbraw/zinc/49/28/87/644492887.db2.gz ZREJBHFVVFNGOI-ZDUSSCGKSA-N 2 0 247.386 1.624 20 0 BDADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1cccc(=O)[nH]1 ZINC000923554087 644494241 /nfs/dbraw/zinc/49/42/41/644494241.db2.gz MLVIBALJSUDZKM-GFCCVEGCSA-N 2 0 249.358 1.609 20 0 BDADRP CC(C)C[C@H]1C[N@H+](C)CCN1C[C@@H]1CC[NH2+]C1 ZINC000923557676 644499787 /nfs/dbraw/zinc/49/97/87/644499787.db2.gz NESZQLVPTCYHNN-KGLIPLIRSA-N 2 0 239.407 1.258 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1ccncc1 ZINC000089144652 644535648 /nfs/dbraw/zinc/53/56/48/644535648.db2.gz KJNIISBKSSUVTB-ZIAGYGMSSA-N 2 0 233.359 1.731 20 0 BDADRP COc1cccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000089149834 644536358 /nfs/dbraw/zinc/53/63/58/644536358.db2.gz QUBQNRYGLJNKQD-GXTWGEPZSA-N 2 0 234.343 1.912 20 0 BDADRP NC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000089148192 644536845 /nfs/dbraw/zinc/53/68/45/644536845.db2.gz SUARHMJXPZSGCR-QWHCGFSZSA-N 2 0 247.342 1.003 20 0 BDADRP Cc1cc(N[C@H](C)C[NH+]2CCCCC2)nc(N)[nH+]1 ZINC000091015653 644610256 /nfs/dbraw/zinc/61/02/56/644610256.db2.gz AYMCUCXZVOIFNG-LLVKDONJSA-N 2 0 249.362 1.654 20 0 BDADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000248499331 644683405 /nfs/dbraw/zinc/68/34/05/644683405.db2.gz SAQSZIBOWJSVDB-GRYCIOLGSA-N 2 0 243.395 1.062 20 0 BDADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)C[C@H]1CCCO1 ZINC000249952145 644744545 /nfs/dbraw/zinc/74/45/45/644744545.db2.gz ACHTYNPLBYCOLM-NWDGAFQWSA-N 2 0 212.337 1.097 20 0 BDADRP c1cnn(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000250170025 644749064 /nfs/dbraw/zinc/74/90/64/644749064.db2.gz LMZKQSRGHPFMTO-BFHYXJOUSA-N 2 0 248.374 1.393 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)CC[NH2+]1 ZINC000415140429 644886105 /nfs/dbraw/zinc/88/61/05/644886105.db2.gz NJCHDMBXKWQWLR-MGPQQGTHSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000252746066 644896331 /nfs/dbraw/zinc/89/63/31/644896331.db2.gz BDUTZANBONMRHU-PBYDBYKOSA-N 2 0 226.364 1.361 20 0 BDADRP CC[C@@H]1COC[C@@H]1[NH2+][C@H](C)CC[NH+](C)C ZINC000827320810 645078137 /nfs/dbraw/zinc/07/81/37/645078137.db2.gz LSVJHCNOCBABQX-UTUOFQBUSA-N 2 0 214.353 1.341 20 0 BDADRP C[C@@H]([NH2+]Cc1ccc2c[nH+]cn2c1)C(C)(C)CO ZINC000926566064 645286266 /nfs/dbraw/zinc/28/62/66/645286266.db2.gz CXZDCGTYOULSSI-LLVKDONJSA-N 2 0 247.342 1.831 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccnnc1 ZINC000926574070 645291459 /nfs/dbraw/zinc/29/14/59/645291459.db2.gz UHIQSABBAHNSPA-STQMWFEESA-N 2 0 248.374 1.859 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)C(C)(C)CO ZINC000926665517 645344688 /nfs/dbraw/zinc/34/46/88/645344688.db2.gz GIMLPJBWOPVNET-SDDRHHMPSA-N 2 0 228.380 1.323 20 0 BDADRP [NH3+]CC1(CC[NH2+][C@@H]2CC[C@@H]2C2CC2)CC1 ZINC000844919263 645348493 /nfs/dbraw/zinc/34/84/93/645348493.db2.gz DAXTXBGEVDHWKN-VXGBXAGGSA-N 2 0 208.349 1.894 20 0 BDADRP CC(C)CC[NH+]1CCC([NH2+]C/C=C/CO)CC1 ZINC000926688716 645357520 /nfs/dbraw/zinc/35/75/20/645357520.db2.gz KOQCWSQPZRYYHC-ONEGZZNKSA-N 2 0 240.391 1.635 20 0 BDADRP C[C@]1(C[NH2+][C@H]2CC[NH2+]C23CCC3)CCOC1 ZINC000925486345 645442575 /nfs/dbraw/zinc/44/25/75/645442575.db2.gz HEMFZXKLVKJQAR-NWDGAFQWSA-N 2 0 224.348 1.287 20 0 BDADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCOC(F)F)C2 ZINC000852752961 645487865 /nfs/dbraw/zinc/48/78/65/645487865.db2.gz SBCNEMATDAEOMJ-ONGXEEELSA-N 2 0 234.290 1.286 20 0 BDADRP CCOCCC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925487888 645496331 /nfs/dbraw/zinc/49/63/31/645496331.db2.gz HBMOEBLGATUSML-VXGBXAGGSA-N 2 0 228.380 1.909 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000927028070 645525700 /nfs/dbraw/zinc/52/57/00/645525700.db2.gz PGYZEJCJQVCGKL-OCCSQVGLSA-N 2 0 242.407 1.857 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@H]2C[C@H](CO)C2)CC1 ZINC000927154139 645577631 /nfs/dbraw/zinc/57/76/31/645577631.db2.gz ZXRVZONFZXQODG-AULYBMBSSA-N 2 0 226.364 1.220 20 0 BDADRP CC(C)NC(=[NH2+])NCCC1CC[NH+](C)CC1 ZINC000221882676 645894461 /nfs/dbraw/zinc/89/44/61/645894461.db2.gz QAYUALXLKMAAGT-UHFFFAOYSA-N 2 0 226.368 1.241 20 0 BDADRP COCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925500791 645943254 /nfs/dbraw/zinc/94/32/54/645943254.db2.gz FJBJJGWWXKGGRD-CHWSQXEVSA-N 2 0 226.364 1.391 20 0 BDADRP C[NH+](C)CCCN[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000924538489 646056431 /nfs/dbraw/zinc/05/64/31/646056431.db2.gz BAECESZWQYRNFE-KBPBESRZSA-N 2 0 239.407 1.545 20 0 BDADRP CC(C)[C@@H]1COCC[C@H]1[NH2+]CCC[NH+](C)C ZINC000924537934 646057971 /nfs/dbraw/zinc/05/79/71/646057971.db2.gz CXTZVJRMBRAOPO-QWHCGFSZSA-N 2 0 228.380 1.589 20 0 BDADRP C[C@H]1CC2(CC([NH2+]CCC[NH+](C)C)C2)CO1 ZINC000924540129 646059868 /nfs/dbraw/zinc/05/98/68/646059868.db2.gz VZEWGNGBOBITPR-HIFPTAJRSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1C[C@H](C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)C[C@H](C)O1 ZINC000929313510 646073084 /nfs/dbraw/zinc/07/30/84/646073084.db2.gz ZXQOMSGMRCVCRV-MBJXGIAVSA-N 2 0 238.375 1.341 20 0 BDADRP FCc1ccccc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000929311277 646074822 /nfs/dbraw/zinc/07/48/22/646074822.db2.gz BKPFEYNIDCWYFQ-ZIAGYGMSSA-N 2 0 234.318 1.807 20 0 BDADRP COc1cc([C@H](C)[NH2+]CCCC[NH+](C)C)on1 ZINC000924855443 646119582 /nfs/dbraw/zinc/11/95/82/646119582.db2.gz PXJIBCFOIQNUSO-JTQLQIEISA-N 2 0 241.335 1.676 20 0 BDADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2COC[C@H]2C)C1 ZINC000924959676 646144390 /nfs/dbraw/zinc/14/43/90/646144390.db2.gz LEFPRQIJNGFDGM-HZSPNIEDSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@@H](C[NH2+][C@H]1CN2C[C@@H]1CCC2)N(C)C1CC1 ZINC000924968474 646147928 /nfs/dbraw/zinc/14/79/28/646147928.db2.gz YVYYSTNKWBDNLF-OBJOEFQTSA-N 2 0 237.391 1.153 20 0 BDADRP CC(C)CC[NH+]1CCC([NH2+][C@@H](C)CCO)CC1 ZINC000925099710 646184688 /nfs/dbraw/zinc/18/46/88/646184688.db2.gz GMVIADGJUSKOMK-ZDUSSCGKSA-N 2 0 242.407 1.857 20 0 BDADRP CC[C@H](CO)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000929689125 646246640 /nfs/dbraw/zinc/24/66/40/646246640.db2.gz BWJPJHIFSDRIBD-KGLIPLIRSA-N 2 0 240.391 1.708 20 0 BDADRP COC[C@@H](C)C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925480396 646291957 /nfs/dbraw/zinc/29/19/57/646291957.db2.gz JZLGNGVJLRKDCG-QNWHQSFQSA-N 2 0 240.391 1.635 20 0 BDADRP CCC[C@H](O)C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925482534 646293768 /nfs/dbraw/zinc/29/37/68/646293768.db2.gz NEJFRQDQHDSJJL-WOPDTQHZSA-N 2 0 228.380 1.643 20 0 BDADRP CC1(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)COC1 ZINC000925483459 646294792 /nfs/dbraw/zinc/29/47/92/646294792.db2.gz SXLVGZZTGRUTAD-WDEREUQCSA-N 2 0 226.364 1.519 20 0 BDADRP CC1(C)[C@@H]([NH2+]C2CCOCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925483693 646295525 /nfs/dbraw/zinc/29/55/25/646295525.db2.gz XFKRWFKKADQEQV-AGIUHOORSA-N 2 0 238.375 1.532 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CCCCn1ccnc1 ZINC000925496971 646301907 /nfs/dbraw/zinc/30/19/07/646301907.db2.gz YOQQOUZASIDXEX-GFCCVEGCSA-N 2 0 236.363 1.393 20 0 BDADRP CC(C)C[C@H](CCO)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925528707 646316888 /nfs/dbraw/zinc/31/68/88/646316888.db2.gz VWDFLHOWWPMDDY-STQMWFEESA-N 2 0 242.407 1.761 20 0 BDADRP CC[C@@H](CO)[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000929790536 646321096 /nfs/dbraw/zinc/32/10/96/646321096.db2.gz KIUZDOPGOCBZRU-RYUDHWBXSA-N 2 0 214.353 1.031 20 0 BDADRP CC[C@@H](CCO)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925541116 646321298 /nfs/dbraw/zinc/32/12/98/646321298.db2.gz TZBVSIXLGWEDTI-QWHCGFSZSA-N 2 0 240.391 1.659 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@@H](N[C@H]2CC[NH2+]C2(C)C)C1 ZINC000925540570 646321338 /nfs/dbraw/zinc/32/13/38/646321338.db2.gz CWDAZSMWCGJDMS-UPJWGTAASA-N 2 0 239.407 1.589 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2CC[NH2+]C2(C)C)C[N@@H+]1C1CC1 ZINC000925542188 646325081 /nfs/dbraw/zinc/32/50/81/646325081.db2.gz NZMZVCXGVNYZIW-MDZLAQPJSA-N 2 0 237.391 1.342 20 0 BDADRP CC(C)[N@H+](C)CCN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925557291 646333812 /nfs/dbraw/zinc/33/38/12/646333812.db2.gz NNRGJZMCIRLZDF-OLZOCXBDSA-N 2 0 241.423 1.822 20 0 BDADRP CC1(C)C[C@@H]([NH2+][C@@H]2CCSC2)C[C@@H]([NH3+])C1 ZINC000925575263 646341937 /nfs/dbraw/zinc/34/19/37/646341937.db2.gz YYIJJYKZSHDIOF-MXWKQRLJSA-N 2 0 228.405 1.988 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CN[C@H]1CC[NH2+]C1(C)C ZINC000925573823 646342690 /nfs/dbraw/zinc/34/26/90/646342690.db2.gz PXPXKNBLAQPMIG-OLZOCXBDSA-N 2 0 239.407 1.591 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CO)CC2)C12CCC2 ZINC000925605038 646356587 /nfs/dbraw/zinc/35/65/87/646356587.db2.gz CWWSXYMXCWZYNG-YVECIDJPSA-N 2 0 238.375 1.397 20 0 BDADRP CC[C@H](CN[C@@H]1CCC[NH2+][C@H]1C)[NH+]1CCCC1 ZINC000925606331 646356948 /nfs/dbraw/zinc/35/69/48/646356948.db2.gz NHHPYKTYOHSYFR-BFHYXJOUSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@H](CCO)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925611394 646359841 /nfs/dbraw/zinc/35/98/41/646359841.db2.gz MJOAWWOOTRNXER-GMTAPVOTSA-N 2 0 214.353 1.253 20 0 BDADRP C[C@H](CO)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925611420 646360112 /nfs/dbraw/zinc/36/01/12/646360112.db2.gz CHPAGELECCMLSK-YPMHNXCESA-N 2 0 222.332 1.437 20 0 BDADRP CC1(C)[C@@H]([NH2+]CCCF)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925619309 646366827 /nfs/dbraw/zinc/36/68/27/646366827.db2.gz MKPCKRIZOGOSEO-VWYCJHECSA-N 2 0 214.328 1.712 20 0 BDADRP CC1(C)[C@H]([NH2+]CCn2cccn2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925623409 646369049 /nfs/dbraw/zinc/36/90/49/646369049.db2.gz VPWGFUVHMCWLLS-FRRDWIJNSA-N 2 0 248.374 1.249 20 0 BDADRP CC(C)[C@@H](CO)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925621840 646369384 /nfs/dbraw/zinc/36/93/84/646369384.db2.gz GZJUMIQQYIRCDE-QJPTWQEYSA-N 2 0 228.380 1.499 20 0 BDADRP Cc1cnccc1CC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925627461 646374750 /nfs/dbraw/zinc/37/47/50/646374750.db2.gz YZKIMQLKIMCTPV-UONOGXRCSA-N 2 0 245.370 1.792 20 0 BDADRP COC[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)OC ZINC000925631541 646376149 /nfs/dbraw/zinc/37/61/49/646376149.db2.gz HYYOWOBVTBCHIT-WOPDTQHZSA-N 2 0 244.379 1.143 20 0 BDADRP CC[C@@H](CO)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925643666 646384671 /nfs/dbraw/zinc/38/46/71/646384671.db2.gz GYVZRAMNGYGLDT-BFHYXJOUSA-N 2 0 240.391 1.515 20 0 BDADRP OC1CC(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925651670 646392126 /nfs/dbraw/zinc/39/21/26/646392126.db2.gz IYGXCMRLZRRHCU-HTAVTVPLSA-N 2 0 224.348 1.022 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925651344 646392656 /nfs/dbraw/zinc/39/26/56/646392656.db2.gz AZSVGCDHDSUAMX-LPWJVIDDSA-N 2 0 240.391 1.907 20 0 BDADRP CC(C)(CO)CC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925678949 646406144 /nfs/dbraw/zinc/40/61/44/646406144.db2.gz GFETWHRKYLRRCL-RYUDHWBXSA-N 2 0 242.407 1.891 20 0 BDADRP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)C(=O)NC ZINC000925686860 646413463 /nfs/dbraw/zinc/41/34/63/646413463.db2.gz YRMQCLRMMOUQRV-MXWKQRLJSA-N 2 0 241.379 1.007 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H](O)C1CCC1 ZINC000925688605 646414616 /nfs/dbraw/zinc/41/46/16/646414616.db2.gz FIRBAOMPDCCDJR-VZANTVGXSA-N 2 0 238.375 1.253 20 0 BDADRP CNC(=O)C[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925690413 646416332 /nfs/dbraw/zinc/41/63/32/646416332.db2.gz VEQIMPZIWSHKGB-HBNTYKKESA-N 2 0 241.379 1.007 20 0 BDADRP CC(C)[NH2+]CCCN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925695740 646422047 /nfs/dbraw/zinc/42/20/47/646422047.db2.gz WJZFHJYNZWASFM-NWDGAFQWSA-N 2 0 225.380 1.234 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925696341 646422142 /nfs/dbraw/zinc/42/21/42/646422142.db2.gz ZPRQXOJZVXCGHY-IJLUTSLNSA-N 2 0 227.396 1.465 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+][C@@H]2CCC[C@H]2O)C1 ZINC000925696836 646422308 /nfs/dbraw/zinc/42/23/08/646422308.db2.gz UUIKXQUKMAGWAQ-NNYUYHANSA-N 2 0 226.364 1.395 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925697712 646423747 /nfs/dbraw/zinc/42/37/47/646423747.db2.gz HORPGSFWEWCIJV-XQQFMLRXSA-N 2 0 241.423 2.000 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000925701273 646425003 /nfs/dbraw/zinc/42/50/03/646425003.db2.gz WSLJYMJJDAUWOW-AVGNSLFASA-N 3 0 239.407 1.482 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CC[NH2+]C2(C)C)C1 ZINC000925701728 646425462 /nfs/dbraw/zinc/42/54/62/646425462.db2.gz DSPSYDBJDWJWOO-TUAOUCFPSA-N 3 0 225.380 1.057 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000925703644 646427198 /nfs/dbraw/zinc/42/71/98/646427198.db2.gz DOQPHWUJTROYQR-NEPJUHHUSA-N 3 0 225.380 1.249 20 0 BDADRP CC[C@H]([NH3+])CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925703698 646427281 /nfs/dbraw/zinc/42/72/81/646427281.db2.gz FCVJWAPDQLCAFV-WHOHXGKFSA-N 2 0 225.380 1.090 20 0 BDADRP C[NH2+]Cc1ccccc1CN[C@@H]1CCC[NH2+][C@@H]1C ZINC000925703267 646427292 /nfs/dbraw/zinc/42/72/92/646427292.db2.gz SMUXZUTUGLKZDQ-IUODEOHRSA-N 2 0 247.386 1.636 20 0 BDADRP CC[C@H]([NH3+])CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925704315 646429081 /nfs/dbraw/zinc/42/90/81/646429081.db2.gz GALVUWLBXHJDRB-BFHYXJOUSA-N 2 0 239.407 1.482 20 0 BDADRP C[C@@H]1NCCC[C@@H]1[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000925706673 646430694 /nfs/dbraw/zinc/43/06/94/646430694.db2.gz KGQLQIADNDXELL-XQQFMLRXSA-N 2 0 225.380 1.249 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@H](NCCC[NH2+]C2CC2)C1 ZINC000925706606 646431129 /nfs/dbraw/zinc/43/11/29/646431129.db2.gz NJNQHBRVRMBSFT-AAEUAGOBSA-N 2 0 239.407 1.624 20 0 BDADRP C1CC2(C1)[NH2+]CC[C@@H]2N[C@H]1CCCC[NH2+]C1 ZINC000925707339 646432271 /nfs/dbraw/zinc/43/22/71/646432271.db2.gz PIKYIJAHZLRDSH-RYUDHWBXSA-N 2 0 223.364 1.003 20 0 BDADRP COC1CC(CC[NH2+][C@H]2CC[NH2+]C2(C)C)C1 ZINC000925712480 646435641 /nfs/dbraw/zinc/43/56/41/646435641.db2.gz GSXQRHDWANROEY-MCIGGMRASA-N 2 0 226.364 1.532 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1NCc1ccc(C[NH3+])cc1 ZINC000925711489 646436559 /nfs/dbraw/zinc/43/65/59/646436559.db2.gz NJZRPDGWVCBNHZ-CYBMUJFWSA-N 2 0 233.359 1.375 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925715992 646441578 /nfs/dbraw/zinc/44/15/78/646441578.db2.gz NBOLCMUPSVNXQS-WOPDTQHZSA-N 2 0 225.380 1.219 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925717856 646442213 /nfs/dbraw/zinc/44/22/13/646442213.db2.gz IGNNBKFRDOCPBX-NNYUYHANSA-N 2 0 225.380 1.232 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000925718117 646442753 /nfs/dbraw/zinc/44/27/53/646442753.db2.gz GSKPWTGUGNVLSA-QJPTWQEYSA-N 2 0 223.364 1.001 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000925724714 646449545 /nfs/dbraw/zinc/44/95/45/646449545.db2.gz COMRQRBOMALAMO-XQQFMLRXSA-N 2 0 239.407 1.495 20 0 BDADRP COCC1CC([NH2+][C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925727487 646451068 /nfs/dbraw/zinc/45/10/68/646451068.db2.gz GAKYGMPWAJPMHY-VQXHTEKXSA-N 2 0 212.337 1.142 20 0 BDADRP CCC[C@@H](CCO)[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925725736 646451338 /nfs/dbraw/zinc/45/13/38/646451338.db2.gz VNDAVGZNNMXCJO-STQMWFEESA-N 2 0 240.391 1.802 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)C12CCC2 ZINC000925726071 646451655 /nfs/dbraw/zinc/45/16/55/646451655.db2.gz PWYVSWQVEBVWLC-DJQKSGLPSA-N 2 0 248.370 1.269 20 0 BDADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000925726510 646451881 /nfs/dbraw/zinc/45/18/81/646451881.db2.gz TVPPQWMSHCQSLQ-YQFOFLOKSA-N 3 0 249.402 1.090 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000925726401 646452033 /nfs/dbraw/zinc/45/20/33/646452033.db2.gz SLBDTDMNEWHZSV-RYUDHWBXSA-N 2 0 239.407 1.495 20 0 BDADRP Nc1cc(F)cc(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925731771 646456004 /nfs/dbraw/zinc/45/60/04/646456004.db2.gz UYQRQZOYDUCLEA-STQMWFEESA-N 2 0 249.333 1.767 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1C[C@H](OC)C1)[C@@H]1CCC[NH2+]1 ZINC000925735343 646459000 /nfs/dbraw/zinc/45/90/00/646459000.db2.gz DTLQLNYDLLROSL-CYDGBPFRSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@H](NCCC(C)(C)[NH3+])c1cc2n(n1)CCC2 ZINC000925736851 646460047 /nfs/dbraw/zinc/46/00/47/646460047.db2.gz DJEJPTLDCSWYHF-JTQLQIEISA-N 2 0 236.363 1.607 20 0 BDADRP CC(C)[C@@H](Cn1cccn1)[NH2+]CCC(C)(C)[NH3+] ZINC000925736554 646460231 /nfs/dbraw/zinc/46/02/31/646460231.db2.gz BIWUUVXIWAWNCN-GFCCVEGCSA-N 2 0 238.379 1.625 20 0 BDADRP CCC1([NH3+])CC[NH+]([C@@H]2CCCc3n[nH]cc32)CC1 ZINC000925757178 646464503 /nfs/dbraw/zinc/46/45/03/646464503.db2.gz DUYGGEJLZUDKBG-CYBMUJFWSA-N 2 0 248.374 1.990 20 0 BDADRP CCC1([NH3+])CCN([C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000925759021 646466517 /nfs/dbraw/zinc/46/65/17/646466517.db2.gz GOVPPGWZCSSXCQ-QWRGUYRKSA-N 2 0 211.353 1.070 20 0 BDADRP CCC1([NH3+])CCN([C@H](C)C[C@H](C)[NH3+])CC1 ZINC000925761804 646466527 /nfs/dbraw/zinc/46/65/27/646466527.db2.gz ZITBFEKQLRUANH-WDEREUQCSA-N 2 0 213.369 1.316 20 0 BDADRP CC[C@H]([C@@H]1CCC[NH2+]1)N1CCC([NH3+])(CC)CC1 ZINC000925760361 646467121 /nfs/dbraw/zinc/46/71/21/646467121.db2.gz LTHVPUHKHUHFQT-QWHCGFSZSA-N 2 0 239.407 1.720 20 0 BDADRP Nc1cc[nH+]c(CN[C@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925768082 646468412 /nfs/dbraw/zinc/46/84/12/646468412.db2.gz SFUGGVMWHYEDCY-NEPJUHHUSA-N 2 0 232.331 1.023 20 0 BDADRP C[C@@H]([NH2+]Cc1cc(N)ccn1)C1CC[NH+](C)CC1 ZINC000925770378 646470582 /nfs/dbraw/zinc/47/05/82/646470582.db2.gz HCIGNUIKQRVLSF-LLVKDONJSA-N 2 0 248.374 1.484 20 0 BDADRP CC1(C)CO[C@H](CC[NH2+][C@H]2CCC[C@H]2[NH3+])C1 ZINC000925773613 646472882 /nfs/dbraw/zinc/47/28/82/646472882.db2.gz FDBVSHSTNFIABL-UTUOFQBUSA-N 2 0 226.364 1.661 20 0 BDADRP OC1CCC([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000925777723 646475887 /nfs/dbraw/zinc/47/58/87/646475887.db2.gz QFFWZJCCXZWHCO-WHXUTIOJSA-N 2 0 248.317 1.124 20 0 BDADRP COC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])[C@@H]1CCCOC1 ZINC000925778645 646477716 /nfs/dbraw/zinc/47/77/16/646477716.db2.gz KCZWDUSWJLJLDG-LPWJVIDDSA-N 2 0 244.379 1.143 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925779684 646477903 /nfs/dbraw/zinc/47/79/03/646477903.db2.gz ZJPLSTSAMWQNIS-GHMZBOCLSA-N 3 0 249.349 1.338 20 0 BDADRP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925785247 646481690 /nfs/dbraw/zinc/48/16/90/646481690.db2.gz METUJWSKKJVMGA-MROQNXINSA-N 2 0 210.365 1.866 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000925786682 646483289 /nfs/dbraw/zinc/48/32/89/646483289.db2.gz UINZTBUQTWAADK-IGJVIKARSA-N 2 0 231.343 1.329 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccncc1 ZINC000925792180 646485169 /nfs/dbraw/zinc/48/51/69/646485169.db2.gz VBPGQMSITSUUPW-MDZLAQPJSA-N 2 0 219.332 1.588 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CCOC1 ZINC000925788946 646485596 /nfs/dbraw/zinc/48/55/96/646485596.db2.gz DOFCLEDZRPOXOR-VOAKCMCISA-N 2 0 226.364 1.247 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCO[C@H](C)C1 ZINC000925795213 646487159 /nfs/dbraw/zinc/48/71/59/646487159.db2.gz GXENDOXATYFPKF-LPWJVIDDSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cnccc1N ZINC000925802123 646487412 /nfs/dbraw/zinc/48/74/12/646487412.db2.gz DPVZVGNQTYMKAU-IJLUTSLNSA-N 2 0 248.374 1.390 20 0 BDADRP C[C@H](CC1CC1)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925808220 646489728 /nfs/dbraw/zinc/48/97/28/646489728.db2.gz BHFWLPXOGQERRN-LLVKDONJSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@H](NCc1cc(N(C)C)cc[nH+]1)[C@H]1CCC[NH2+]1 ZINC000925815729 646492043 /nfs/dbraw/zinc/49/20/43/646492043.db2.gz YVRFMZFFXCVALU-BXUZGUMPSA-N 2 0 248.374 1.378 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000925830836 646501026 /nfs/dbraw/zinc/50/10/26/646501026.db2.gz HTXHJVFGCVSRHC-UMSGYPCISA-N 2 0 224.348 1.415 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000925859786 646512685 /nfs/dbraw/zinc/51/26/85/646512685.db2.gz SBUXKTXAFIJBND-AVGNSLFASA-N 2 0 228.380 1.645 20 0 BDADRP CCOCCOCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000925875324 646525615 /nfs/dbraw/zinc/52/56/15/646525615.db2.gz QUSYGKUAOXXFJO-CHWSQXEVSA-N 2 0 244.379 1.017 20 0 BDADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925875300 646526572 /nfs/dbraw/zinc/52/65/72/646526572.db2.gz FUZZQBOORONEAT-NRWUCQMLSA-N 2 0 237.391 1.186 20 0 BDADRP CC1(C)[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)[C@@H]2CCO[C@@H]21 ZINC000925876457 646527757 /nfs/dbraw/zinc/52/77/57/646527757.db2.gz YMICIVKYWWBVEJ-SJHCENCUSA-N 2 0 238.375 1.517 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCCC[NH2+]1 ZINC000925880105 646528735 /nfs/dbraw/zinc/52/87/35/646528735.db2.gz ODKNLYZSTGQSKN-FVCCEPFGSA-N 3 0 225.380 1.234 20 0 BDADRP C[C@@H]([NH2+]C[C@]12C[C@H]1CCC2)[C@@H]1CCC[NH2+]1 ZINC000925879826 646528775 /nfs/dbraw/zinc/52/87/75/646528775.db2.gz DIOVGFOSECAXSX-NDBYEHHHSA-N 2 0 208.349 1.907 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879957 646529634 /nfs/dbraw/zinc/52/96/34/646529634.db2.gz NBGKTBJHKBMNDR-FVCCEPFGSA-N 3 0 225.380 1.221 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)c2nccn21 ZINC000925880555 646531114 /nfs/dbraw/zinc/53/11/14/646531114.db2.gz RYSKMUNIISJLRP-USZNOCQGSA-N 2 0 234.347 1.606 20 0 BDADRP C1CC1([NH2+][C@H]1CCC[NH2+]CC1)[C@H]1CCCCO1 ZINC000925893124 646535113 /nfs/dbraw/zinc/53/51/13/646535113.db2.gz LKRVIQIKQHOBGS-QWHCGFSZSA-N 2 0 238.375 1.820 20 0 BDADRP C[C@H]1COC[C@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000926276402 646610336 /nfs/dbraw/zinc/61/03/36/646610336.db2.gz XANNVZFXIAKNSW-QWHCGFSZSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1cn(C)cn1 ZINC000926450694 646641444 /nfs/dbraw/zinc/64/14/44/646641444.db2.gz QMJMMPQGDOUIEE-NXEZZACHSA-N 2 0 245.330 1.351 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cnc(Cl)s2)C1 ZINC000723704949 711535356 /nfs/dbraw/zinc/53/53/56/711535356.db2.gz MSFKPBCFAZVLBZ-MRVPVSSYSA-N 2 0 245.779 1.967 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cncs2)C[C@H]1CC[NH3+] ZINC000723910927 711544558 /nfs/dbraw/zinc/54/45/58/711544558.db2.gz YVKIKLNCQGIFIV-NXEZZACHSA-N 2 0 225.361 1.560 20 0 BDADRP Cc1noc(C)c1C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723908237 711545222 /nfs/dbraw/zinc/54/52/22/711545222.db2.gz FNXSDJNFDUBCJF-BXKDBHETSA-N 2 0 237.347 1.708 20 0 BDADRP CC[C@H](C)NC(=[NH2+])NC[C@H](C)[NH+]1CCCCC1 ZINC000848995659 711590546 /nfs/dbraw/zinc/59/05/46/711590546.db2.gz ZRMMQGJYJPYLAF-RYUDHWBXSA-N 2 0 240.395 1.773 20 0 BDADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925635735 711706678 /nfs/dbraw/zinc/70/66/78/711706678.db2.gz OQWPNNVTIZMXLH-FVCCEPFGSA-N 2 0 238.375 1.661 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](C/C=C/Cl)C1 ZINC000069724482 711893485 /nfs/dbraw/zinc/89/34/85/711893485.db2.gz JTOHZEBWKOOZBW-FWYAXHSGSA-N 2 0 202.729 1.800 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)C1 ZINC000721928834 711937948 /nfs/dbraw/zinc/93/79/48/711937948.db2.gz VQDLSSMZUJPJGR-ZDEQEGDKSA-N 2 0 226.364 1.328 20 0 BDADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@@H]1CCCCO1)C2 ZINC000702054551 712037369 /nfs/dbraw/zinc/03/73/69/712037369.db2.gz WEHDTEGKDUKAJG-RWMBFGLXSA-N 2 0 224.348 1.097 20 0 BDADRP C[NH+](C)CCCC[NH2+]C1CCC(C)(O)CC1 ZINC000702988214 712063107 /nfs/dbraw/zinc/06/31/07/712063107.db2.gz LIDDYUISCALIEV-UHFFFAOYSA-N 2 0 228.380 1.611 20 0 BDADRP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)ccn1 ZINC000703503964 712077147 /nfs/dbraw/zinc/07/71/47/712077147.db2.gz RKQPQRUIVIWXOL-ZDUSSCGKSA-N 2 0 219.332 1.561 20 0 BDADRP COC1CCC([NH2+]CCC(C)(C)[NH3+])CC1 ZINC000703799988 712087664 /nfs/dbraw/zinc/08/76/64/712087664.db2.gz UCILVCWJIBBFJC-UHFFFAOYSA-N 2 0 214.353 1.661 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ncccn1 ZINC000705288402 712127737 /nfs/dbraw/zinc/12/77/37/712127737.db2.gz HKSSUMMTOQBFAS-SNVBAGLBSA-N 2 0 208.309 1.084 20 0 BDADRP C[NH2+]CC1CC[NH+](C[C@H]2CC(C)(C)CO2)CC1 ZINC000708324732 712187680 /nfs/dbraw/zinc/18/76/80/712187680.db2.gz UPYWRHFXQSQDKG-CYBMUJFWSA-N 2 0 240.391 1.733 20 0 BDADRP CC1(C)CO[C@H](C[NH+]2CCC(CC[NH3+])CC2)C1 ZINC000708332127 712188052 /nfs/dbraw/zinc/18/80/52/712188052.db2.gz PHOSHOSCMUHIFW-ZDUSSCGKSA-N 2 0 240.391 1.862 20 0 BDADRP CC1(C)CO[C@@H](C[N@@H+]2CC[C@@H](CC[NH3+])C2)C1 ZINC000708340095 712189045 /nfs/dbraw/zinc/18/90/45/712189045.db2.gz XYDXLFVEEQRMGS-VXGBXAGGSA-N 2 0 226.364 1.472 20 0 BDADRP C[C@@H]1CN(CC=C(Cl)Cl)C[C@H]1C[NH3+] ZINC000708852854 712201494 /nfs/dbraw/zinc/20/14/94/712201494.db2.gz CAIBKAPQHIYBOC-HTQZYQBOSA-N 2 0 223.147 1.832 20 0 BDADRP CN(CC[NH3+])C[C@H]1CC(C)(C)OC1(C)C ZINC000710236757 712248563 /nfs/dbraw/zinc/24/85/63/712248563.db2.gz CPJQEYGKXQEYOD-SNVBAGLBSA-N 2 0 214.353 1.471 20 0 BDADRP CC[N@@H+]1CC[C@H](CN[C@@H]2CCC2(OC)OC)C1 ZINC000710959218 712268520 /nfs/dbraw/zinc/26/85/20/712268520.db2.gz LFSMURHBGHCLEN-VXGBXAGGSA-N 2 0 242.363 1.069 20 0 BDADRP C[C@@H]1CC[N@H+](CCOC2CC2)C[C@@H]1C[NH3+] ZINC000711754301 712324794 /nfs/dbraw/zinc/32/47/94/712324794.db2.gz UDRAYRKKLQBKEE-MNOVXSKESA-N 2 0 212.337 1.082 20 0 BDADRP C[C@@H](CCO)[NH2+]CCCCC[NH+]1CCCC1 ZINC000378864606 712364865 /nfs/dbraw/zinc/36/48/65/712364865.db2.gz XSSGWMBMKCDWBG-ZDUSSCGKSA-N 2 0 228.380 1.613 20 0 BDADRP C[C@H]([NH3+])CCC(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712668305 712439985 /nfs/dbraw/zinc/43/99/85/712439985.db2.gz IIHSZRZCOZDFEZ-NSHDSACASA-N 2 0 241.379 1.057 20 0 BDADRP CC1(C)CC[NH2+]CC[N@@H+]1C[C@H]1CCCCO1 ZINC000712555155 712445259 /nfs/dbraw/zinc/44/52/59/712445259.db2.gz RGBHEUXSMVFHAG-GFCCVEGCSA-N 2 0 226.364 1.629 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)CC[NH2+]1 ZINC000715518684 712524918 /nfs/dbraw/zinc/52/49/18/712524918.db2.gz FPPNIQBLVZFPNQ-YTWAJWBKSA-N 2 0 230.302 1.571 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CC[C@@H]1CCCS1 ZINC000715600548 712527621 /nfs/dbraw/zinc/52/76/21/712527621.db2.gz JFYGYNSYXSAXBI-RYUDHWBXSA-N 2 0 246.420 1.616 20 0 BDADRP C[C@@H](C[NH+]1CCCCC1)NC1CC[NH+](C)CC1 ZINC000037153460 712548120 /nfs/dbraw/zinc/54/81/20/712548120.db2.gz DVJKYBMZTZBRRC-ZDUSSCGKSA-N 2 0 239.407 1.545 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000716841451 712577829 /nfs/dbraw/zinc/57/78/29/712577829.db2.gz DZQKAWIXSJKMGC-UTUOFQBUSA-N 2 0 226.364 1.397 20 0 BDADRP COC[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)C1CC1 ZINC000717340352 712649568 /nfs/dbraw/zinc/64/95/68/712649568.db2.gz SBOAPIZYPIXKAA-QWRGUYRKSA-N 2 0 248.317 1.246 20 0 BDADRP COCC(C)(C)CC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000718746691 712779933 /nfs/dbraw/zinc/77/99/33/712779933.db2.gz WTXBMHZUNUGSNF-NEPJUHHUSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H]1[C@@H]([NH2+]CC2CC[NH+](C)CC2)CCN1C ZINC000719610332 712816783 /nfs/dbraw/zinc/81/67/83/712816783.db2.gz FYCYZOLXXIVXJH-YPMHNXCESA-N 2 0 225.380 1.010 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCc2ccns2)C1 ZINC000719845562 712825534 /nfs/dbraw/zinc/82/55/34/712825534.db2.gz JPFRHGWSZWGILN-GHMZBOCLSA-N 2 0 239.388 1.745 20 0 BDADRP Cc1conc1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000720377209 712836912 /nfs/dbraw/zinc/83/69/12/712836912.db2.gz AOASODOGOUBCCY-UHFFFAOYSA-N 2 0 223.320 1.685 20 0 BDADRP C[C@H](C[NH3+])N(C)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000720868264 712871805 /nfs/dbraw/zinc/87/18/05/712871805.db2.gz XJNLYTULDSJLKR-RHYQMDGZSA-N 2 0 212.337 1.223 20 0 BDADRP CCO[C@@H]1CCC[C@@H]([NH2+][C@@H](C)CN(C)C)C1 ZINC000721196329 712897048 /nfs/dbraw/zinc/89/70/48/712897048.db2.gz BFFVGIWDQRSKPT-YNEHKIRRSA-N 2 0 228.380 1.874 20 0 BDADRP CCO[C@@H]1CCC[C@H]([NH2+]CCC[NH+](C)C)C1 ZINC000721200600 712898312 /nfs/dbraw/zinc/89/83/12/712898312.db2.gz JAEKTHBPHWLDJU-QWHCGFSZSA-N 2 0 228.380 1.875 20 0 BDADRP COC[C@@H](C[NH+]1CCC(C[NH3+])CC1)C(C)C ZINC000721915383 710690602 /nfs/dbraw/zinc/69/06/02/710690602.db2.gz UPTOTRBHPPSPDC-CYBMUJFWSA-N 2 0 228.380 1.576 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000723795750 710731620 /nfs/dbraw/zinc/73/16/20/710731620.db2.gz QOJHBSWHKQPYDM-MGPQQGTHSA-N 2 0 242.407 1.667 20 0 BDADRP C[NH+](C)CCOCC[NH2+][C@@H]1CC2CCC1CC2 ZINC000381901485 710758110 /nfs/dbraw/zinc/75/81/10/710758110.db2.gz CIEUQLFANHESQJ-JXQTWKCFSA-N 2 0 240.391 1.733 20 0 BDADRP FC1(F)CC[C@H](C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000393844943 710811488 /nfs/dbraw/zinc/81/14/88/710811488.db2.gz ZXQTXKQBNJICBD-SDDRHHMPSA-N 2 0 244.329 1.963 20 0 BDADRP C[C@H](CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)[N@H+](C)C1CC1 ZINC000385550157 711014238 /nfs/dbraw/zinc/01/42/38/711014238.db2.gz WVNFLTDWXRPJLT-DHIIWHAXSA-N 2 0 249.402 1.055 20 0 BDADRP CC(C)[NH+](CCNC1=[NH+]CCCN1C)C(C)C ZINC000386239844 711027019 /nfs/dbraw/zinc/02/70/19/711027019.db2.gz HSCZMLBPVPDBID-UHFFFAOYSA-N 2 0 240.395 1.386 20 0 BDADRP C[N@@H+]1CC[C@@]2(CCN(c3cc[nH+]cc3CO)C2)C1 ZINC000386613260 711033776 /nfs/dbraw/zinc/03/37/76/711033776.db2.gz MUZKWXGMQMSWNQ-CQSZACIVSA-N 2 0 247.342 1.106 20 0 BDADRP CC(C)C[C@H](O)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000389587801 711082008 /nfs/dbraw/zinc/08/20/08/711082008.db2.gz ADRIFPIFATZLIM-RYUDHWBXSA-N 2 0 216.369 1.501 20 0 BDADRP C[N@H+]1CC=C(C[NH2+]Cc2ccoc2)CC1 ZINC000389927636 711098623 /nfs/dbraw/zinc/09/86/23/711098623.db2.gz XOEIBTGOIGQOEK-UHFFFAOYSA-N 2 0 206.289 1.631 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](O)c1ccsc1 ZINC000390503065 711122172 /nfs/dbraw/zinc/12/21/72/711122172.db2.gz VAWJFKOWIGSFAR-JQWIXIFHSA-N 2 0 242.388 1.889 20 0 BDADRP C[NH+]1CCC(C[NH2+]CC(C)(C)C(C)(C)O)CC1 ZINC000393598446 711165752 /nfs/dbraw/zinc/16/57/52/711165752.db2.gz LTCITRYZPSUCON-UHFFFAOYSA-N 2 0 242.407 1.715 20 0 BDADRP CC1(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000393930926 711179271 /nfs/dbraw/zinc/17/92/71/711179271.db2.gz KDHKEQDMXINHFU-NGDQXYMTSA-N 2 0 206.333 1.373 20 0 BDADRP CSCC[C@H](C)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000393950990 711180545 /nfs/dbraw/zinc/18/05/45/711180545.db2.gz XBWBNJQVHQYMJF-MCDVFOBDSA-N 2 0 240.416 1.714 20 0 BDADRP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)(C)O ZINC000394013836 711181712 /nfs/dbraw/zinc/18/17/12/711181712.db2.gz DEBNBHMGOZQSTA-WVMKXHBISA-N 2 0 240.391 1.751 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@H]1CCC[NH2+][C@@H]1C ZINC000396602269 711353387 /nfs/dbraw/zinc/35/33/87/711353387.db2.gz HKOZRQJFUHOCKH-XQQFMLRXSA-N 2 0 227.396 1.447 20 0 BDADRP C[C@H](CN[C@H]1CCC[NH2+][C@@H]1C)C[NH+]1CCCC1 ZINC000396597879 711354460 /nfs/dbraw/zinc/35/44/60/711354460.db2.gz MDVSVENYXJBLLR-MCIONIFRSA-N 2 0 239.407 1.448 20 0 BDADRP CC[NH+](CC)CCN[C@H]1CCC[NH2+][C@@H]1C ZINC000396636234 711361937 /nfs/dbraw/zinc/36/19/37/711361937.db2.gz KKAIFALVCLJRAH-NEPJUHHUSA-N 2 0 213.369 1.058 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1NCCC[NH+]1CCCCC1 ZINC000396576434 711357729 /nfs/dbraw/zinc/35/77/29/711357729.db2.gz CPPCMHISZROMOL-UONOGXRCSA-N 2 0 239.407 1.593 20 0 BDADRP C[C@H]1NCCC[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000396602691 711358718 /nfs/dbraw/zinc/35/87/18/711358718.db2.gz BJGRAVNUFKNLLE-NEPJUHHUSA-N 2 0 213.369 1.058 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@H]1CCC[NH2+][C@@H]1C ZINC000396666714 711360288 /nfs/dbraw/zinc/36/02/88/711360288.db2.gz OYXLWKCQDKMCPZ-XQQFMLRXSA-N 2 0 227.396 1.447 20 0 BDADRP CCCCOCCN[C@H]1CCC[NH2+][C@@H]1C ZINC000396691207 711364470 /nfs/dbraw/zinc/36/44/70/711364470.db2.gz KZTWEFCGSLMVJV-NEPJUHHUSA-N 2 0 214.353 1.533 20 0 BDADRP CC[C@H](O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397291394 711379998 /nfs/dbraw/zinc/37/99/98/711379998.db2.gz AIBHNLYKEOBXGU-BJDJZHNGSA-N 2 0 214.353 1.063 20 0 BDADRP COC[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)C1CC1 ZINC000398038422 711400005 /nfs/dbraw/zinc/40/00/05/711400005.db2.gz OCGNMWFHRCKQHB-USWWRNFRSA-N 2 0 212.337 1.128 20 0 BDADRP FC(F)OCCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000398192741 711404305 /nfs/dbraw/zinc/40/43/05/711404305.db2.gz KRSICQJSQWUKRU-LADJIXMOSA-N 2 0 246.301 1.202 20 0 BDADRP C[C@H]([NH3+])C[N@H+](C)CC[C@H]1CC1(Cl)Cl ZINC000399265439 711425577 /nfs/dbraw/zinc/42/55/77/711425577.db2.gz RHNRSYUGMLUVJM-YUMQZZPRSA-N 2 0 225.163 1.849 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@@H](CO)C1CC1 ZINC000381326868 710622531 /nfs/dbraw/zinc/62/25/31/710622531.db2.gz RJOCASQQZIZWDB-OLZOCXBDSA-N 2 0 226.364 1.221 20 0 BDADRP COC[C@H](C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C)C(C)C ZINC000721915816 710690725 /nfs/dbraw/zinc/69/07/25/710690725.db2.gz VUGPUCOZTGRKBL-AGIUHOORSA-N 2 0 228.380 1.717 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]Cc2cc[nH]c(=O)c2)CC1 ZINC000392675435 711150681 /nfs/dbraw/zinc/15/06/81/711150681.db2.gz PBIMLXCVEBBTPA-UHFFFAOYSA-N 2 0 249.358 1.750 20 0 BDADRP CCC[N@H+](CC)CCN[C@@H]1CCC[NH2+][C@@H]1C ZINC000396678039 711365400 /nfs/dbraw/zinc/36/54/00/711365400.db2.gz USEKGHZMXKFUCG-CHWSQXEVSA-N 2 0 227.396 1.448 20 0 BDADRP CC[N@@H+]1CC[C@H](CN[C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000396728343 711367024 /nfs/dbraw/zinc/36/70/24/711367024.db2.gz XEOHBBFIMQZYOT-YNEHKIRRSA-N 2 0 225.380 1.058 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@@H]1CCC[NH2+][C@H]1C ZINC000396716414 711367261 /nfs/dbraw/zinc/36/72/61/711367261.db2.gz RIFCLHWTZZYDRK-YNEHKIRRSA-N 2 0 225.380 1.201 20 0 BDADRP CC[N@@H+]1CC[C@H](CN[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000396728341 711369616 /nfs/dbraw/zinc/36/96/16/711369616.db2.gz XEOHBBFIMQZYOT-XQQFMLRXSA-N 2 0 225.380 1.058 20 0 BDADRP C[NH+]1CCC(C[NH2+]CCC2(O)CCC2)CC1 ZINC000396759376 711369630 /nfs/dbraw/zinc/36/96/30/711369630.db2.gz HNRIFSHKWRRFRY-UHFFFAOYSA-N 2 0 226.364 1.223 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000712641595 711449586 /nfs/dbraw/zinc/44/95/86/711449586.db2.gz LXMJQKGMFVBYSE-MCIONIFRSA-N 2 0 240.391 1.766 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](CF)C2)CC[NH2+]1 ZINC000711467069 711462508 /nfs/dbraw/zinc/46/25/08/711462508.db2.gz SIGXCGTWOFYKRH-IJLUTSLNSA-N 2 0 214.328 1.666 20 0 BDADRP CO[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@@H]1C ZINC000717984590 711492685 /nfs/dbraw/zinc/49/26/85/711492685.db2.gz MSPWSZALLZWYSW-RNJOBUHISA-N 2 0 226.364 1.471 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC000050249297 711493840 /nfs/dbraw/zinc/49/38/40/711493840.db2.gz ASTSOWGIOCLJMS-DGCLKSJQSA-N 2 0 220.316 1.001 20 0 BDADRP C[NH+](C)CCOCC[NH2+][C@H]1CCCC2(CC2)C1 ZINC000723603100 711523951 /nfs/dbraw/zinc/52/39/51/711523951.db2.gz KQHOOIFCNFDWJP-ZDUSSCGKSA-N 2 0 240.391 1.877 20 0 BDADRP Cc1nn(C)cc1C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723891468 711543939 /nfs/dbraw/zinc/54/39/39/711543939.db2.gz NJGLIMASENSHNW-ZYHUDNBSSA-N 2 0 236.363 1.145 20 0 BDADRP Cc1cnccc1C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723902325 711544724 /nfs/dbraw/zinc/54/47/24/711544724.db2.gz VIPIFLFZXKTQDV-CHWSQXEVSA-N 2 0 233.359 1.807 20 0 BDADRP C[C@H]1CC[C@H](C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)O1 ZINC000723916496 711544954 /nfs/dbraw/zinc/54/49/54/711544954.db2.gz WWIDUBUTGXIHPO-YVECIDJPSA-N 2 0 226.364 1.471 20 0 BDADRP COCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723901355 711545000 /nfs/dbraw/zinc/54/50/00/711545000.db2.gz FYWUXYSTDKHXPQ-IJLUTSLNSA-N 2 0 214.353 1.328 20 0 BDADRP CCC(CC)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000382202518 711553359 /nfs/dbraw/zinc/55/33/59/711553359.db2.gz JOZPEPFKWIJJNK-MNSQCTGESA-N 2 0 208.349 1.761 20 0 BDADRP CCC[N@@H+]1CC[C@H](CNc2cc[nH+]cc2CO)C1 ZINC000891967020 711563026 /nfs/dbraw/zinc/56/30/26/711563026.db2.gz CNQDIYXDBBOIHK-GFCCVEGCSA-N 2 0 249.358 1.140 20 0 BDADRP C1=CCC(CC[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000724204870 711570463 /nfs/dbraw/zinc/57/04/63/711570463.db2.gz JBFNVPLUYSCBKN-LXFSFDBISA-N 2 0 232.371 1.929 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)C(C)(C)CO ZINC000926573989 711653595 /nfs/dbraw/zinc/65/35/95/711653595.db2.gz RDXIELZMQUBJDN-CHWSQXEVSA-N 2 0 242.407 1.715 20 0 BDADRP COC1(C[NH2+]C2CCC([NH3+])CC2)CCCC1 ZINC000309478340 711684545 /nfs/dbraw/zinc/68/45/45/711684545.db2.gz CQNSCMMDNWFESQ-UHFFFAOYSA-N 2 0 226.364 1.805 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@H]1CCC[N@H+](C)C1 ZINC000396722085 711703333 /nfs/dbraw/zinc/70/33/33/711703333.db2.gz UISSNAOLXZGOLH-XQQFMLRXSA-N 2 0 225.380 1.058 20 0 BDADRP [NH3+]C[C@H]1C[N@H+](CCCC2CC2)CCCO1 ZINC000313348411 711718652 /nfs/dbraw/zinc/71/86/52/711718652.db2.gz UEZPRZDCBFBULJ-LBPRGKRZSA-N 2 0 212.337 1.226 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccnc(F)c1 ZINC000925722509 711724035 /nfs/dbraw/zinc/72/40/35/711724035.db2.gz LPFGVLHBQMAWJX-KCXRBIIJSA-N 2 0 249.333 1.826 20 0 BDADRP [NH3+]C1(C[NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)CCC1 ZINC000722325453 711738034 /nfs/dbraw/zinc/73/80/34/711738034.db2.gz YTBHQCUEXZSNRJ-RYUDHWBXSA-N 2 0 224.348 1.415 20 0 BDADRP C[N@H+](CCCCCCC[NH3+])C[C@H]1CCOC1 ZINC000398947714 711742210 /nfs/dbraw/zinc/74/22/10/711742210.db2.gz MECIVKJFXGUDKW-CYBMUJFWSA-N 2 0 228.380 1.864 20 0 BDADRP C[N@H+](C[C@@H]1CCCCO1)C[C@H]1CCCC[NH2+]C1 ZINC000700382835 711991239 /nfs/dbraw/zinc/99/12/39/711991239.db2.gz GIZSLBQXQAWAJM-KBPBESRZSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000701019082 712012377 /nfs/dbraw/zinc/01/23/77/712012377.db2.gz LIFJUDNSRUJQMB-CIQGVGRVSA-N 2 0 240.391 1.730 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CC[C@H]2CC2(F)F)C12CCC2 ZINC000701949832 712033247 /nfs/dbraw/zinc/03/32/47/712033247.db2.gz FMQSLMASFOINNS-AEJSXWLSSA-N 2 0 230.302 1.891 20 0 BDADRP CC(C)COCCN1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702064582 712037534 /nfs/dbraw/zinc/03/75/34/712037534.db2.gz MZUSTHRZJKDAOW-QWHCGFSZSA-N 2 0 226.364 1.200 20 0 BDADRP C[N@@H+]1C[C@@H]2C[NH+](CCCCCCO)C[C@]2(C)C1 ZINC000702300192 712043822 /nfs/dbraw/zinc/04/38/22/712043822.db2.gz CETBAOSQTMXOQC-KGLIPLIRSA-N 2 0 240.391 1.423 20 0 BDADRP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H](O)C(C)(C)C)C[C@]2(C)C1 ZINC000702300215 712043899 /nfs/dbraw/zinc/04/38/99/712043899.db2.gz DGMLJBUFPNYHHJ-BZPMIXESSA-N 2 0 240.391 1.277 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCC1SCCS1 ZINC000703396005 712075056 /nfs/dbraw/zinc/07/50/56/712075056.db2.gz IUHSLBVWXPFRPA-ZJUUUORDSA-N 2 0 246.445 1.900 20 0 BDADRP CCC(CC)[N@H+](CCOC)C[C@H]1C[C@@H]([NH3+])C1 ZINC000703438249 712076828 /nfs/dbraw/zinc/07/68/28/712076828.db2.gz PBXTUGWNNRKDHL-TXEJJXNPSA-N 2 0 228.380 1.861 20 0 BDADRP C[N@@H+](Cc1ccsc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000703535988 712078008 /nfs/dbraw/zinc/07/80/08/712078008.db2.gz VNFBMMHPDMRBJZ-PHIMTYICSA-N 2 0 210.346 1.917 20 0 BDADRP CC[C@H](O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000705108581 712122603 /nfs/dbraw/zinc/12/26/03/712122603.db2.gz VGESERPXXUIVPQ-NEPJUHHUSA-N 2 0 214.353 1.031 20 0 BDADRP CN(C[C@@H]([NH3+])CC(F)F)C[C@H]1CCC[N@H+](C)C1 ZINC000705138799 712123330 /nfs/dbraw/zinc/12/33/30/712123330.db2.gz RQCGTQLMUAVMTH-QWRGUYRKSA-N 2 0 249.349 1.243 20 0 BDADRP Cc1ncccc1C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000705531720 712132856 /nfs/dbraw/zinc/13/28/56/712132856.db2.gz ZZYSOZOKUOASNU-OLZOCXBDSA-N 2 0 231.343 1.750 20 0 BDADRP C[C@H](F)CC[NH2+]CC1CC[NH+](C)CC1 ZINC000705746381 712135807 /nfs/dbraw/zinc/13/58/07/712135807.db2.gz LIPJWTYAJRJFRM-JTQLQIEISA-N 2 0 202.317 1.666 20 0 BDADRP C1CC12CCC[C@@H]2[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000706791617 712155858 /nfs/dbraw/zinc/15/58/58/712155858.db2.gz NHADWWSWJMTBKE-SNIKSBKOSA-N 2 0 232.371 1.905 20 0 BDADRP CC1(C)CO[C@H](C[NH+]2CCC(C)([NH3+])CC2)C1 ZINC000708324666 712187219 /nfs/dbraw/zinc/18/72/19/712187219.db2.gz UERTYJWBBLFYBB-NSHDSACASA-N 2 0 226.364 1.615 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@H]2CC(C)(C)CO2)C[C@@H]1C[NH3+] ZINC000708348306 712190367 /nfs/dbraw/zinc/19/03/67/712190367.db2.gz MLFOAIQXHICKMT-FRRDWIJNSA-N 2 0 240.391 1.718 20 0 BDADRP C[C@H]1C[N@H+](CCc2cccs2)C[C@H]1C[NH3+] ZINC000708862645 712201133 /nfs/dbraw/zinc/20/11/33/712201133.db2.gz PNXQNHKANZFPMT-WDEREUQCSA-N 2 0 224.373 1.817 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)C1 ZINC000709033887 712206164 /nfs/dbraw/zinc/20/61/64/712206164.db2.gz BQLNGAJZZHUPPT-FIQHERPVSA-N 2 0 212.337 1.223 20 0 BDADRP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+]C1CCC([NH3+])CC1)[NH2+]2 ZINC000709293666 712219454 /nfs/dbraw/zinc/21/94/54/712219454.db2.gz URJNVLUHJMITGE-HMHIXIDYSA-N 3 0 237.391 1.375 20 0 BDADRP C1CC1[C@@H]1OCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709469232 712222403 /nfs/dbraw/zinc/22/24/03/712222403.db2.gz UDHYAHZPSFZSDA-YJBUHQLJSA-N 2 0 236.359 1.427 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CCc1ccns1 ZINC000709775030 712223338 /nfs/dbraw/zinc/22/33/38/712223338.db2.gz KTEBSBPXFFDKBU-JTQLQIEISA-N 2 0 227.377 1.793 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCc2ccns2)CC[N@@H+]1C ZINC000709826016 712228600 /nfs/dbraw/zinc/22/86/00/712228600.db2.gz OSWSUXXEHZAVER-WDEREUQCSA-N 2 0 239.388 1.758 20 0 BDADRP [NH3+]C1(C[NH2+]CCc2ccns2)CCC1 ZINC000709835117 712229381 /nfs/dbraw/zinc/22/93/81/712229381.db2.gz FBUNBYYBMJUSGK-UHFFFAOYSA-N 2 0 211.334 1.157 20 0 BDADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCOc1ccccc1)C2 ZINC000709851720 712229827 /nfs/dbraw/zinc/22/98/27/712229827.db2.gz DTOFRJOZYHWFSU-MJBXVCDLSA-N 2 0 246.354 1.877 20 0 BDADRP [NH3+]CC(C[NH3+])NCc1cccc(Cl)c1Cl ZINC000710080224 712244155 /nfs/dbraw/zinc/24/41/55/712244155.db2.gz PIZXVIVBBZSUQT-UHFFFAOYSA-N 2 0 248.157 1.369 20 0 BDADRP CC[C@@H]1COC[C@H]1[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000711106564 712280715 /nfs/dbraw/zinc/28/07/15/712280715.db2.gz GDCVRHZRHLJDAY-TZMCWYRMSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)[C@@H]1CCOC1 ZINC000711269297 712291976 /nfs/dbraw/zinc/29/19/76/712291976.db2.gz OKIRWWKFLLIFMH-REWJHTLYSA-N 2 0 238.375 1.533 20 0 BDADRP FC[C@H]1CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000711440260 712300911 /nfs/dbraw/zinc/30/09/11/712300911.db2.gz DBOCEWLKUXCOCZ-NEPJUHHUSA-N 2 0 242.338 1.189 20 0 BDADRP FC[C@H]1CC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000711450761 712301737 /nfs/dbraw/zinc/30/17/37/712301737.db2.gz BWOXMBLFPUYTTO-NEPJUHHUSA-N 2 0 214.328 1.668 20 0 BDADRP C[C@]1(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)CCC[NH2+]C1 ZINC000711589762 712311327 /nfs/dbraw/zinc/31/13/27/712311327.db2.gz IBCPTIINDFWTMK-XQQFMLRXSA-N 2 0 240.416 1.671 20 0 BDADRP C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)OC1CC1 ZINC000711760392 712326526 /nfs/dbraw/zinc/32/65/26/712326526.db2.gz URLRLHZFSJVVEZ-JSGCOSHPSA-N 2 0 238.375 1.629 20 0 BDADRP C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)OC1CC1 ZINC000711776125 712327785 /nfs/dbraw/zinc/32/77/85/712327785.db2.gz GKVNPEGDHVLYQL-DGCLKSJQSA-N 2 0 224.348 1.239 20 0 BDADRP C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)OC1CC1 ZINC000711776126 712327889 /nfs/dbraw/zinc/32/78/89/712327889.db2.gz GKVNPEGDHVLYQL-WCQYABFASA-N 2 0 224.348 1.239 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000923479196 712334283 /nfs/dbraw/zinc/33/42/83/712334283.db2.gz OGFJKELLYHEROU-YFKTTZPYSA-N 2 0 244.329 1.948 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000923480286 712334701 /nfs/dbraw/zinc/33/47/01/712334701.db2.gz WLGRRKUBOILWBH-LSDHHAIUSA-N 2 0 248.370 1.261 20 0 BDADRP CCO[C@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000701712527 712355731 /nfs/dbraw/zinc/35/57/31/712355731.db2.gz ADNREEFHEFIZBS-ZDUSSCGKSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@H]1COCC[C@H]1[NH2+]CCC(C)(C)[NH3+] ZINC000379511097 712386631 /nfs/dbraw/zinc/38/66/31/712386631.db2.gz XOSWFQSBCWWJKG-VHSXEESVSA-N 2 0 200.326 1.128 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000712437691 712429789 /nfs/dbraw/zinc/42/97/89/712429789.db2.gz KMTXIOMAPWBPQT-CHWSQXEVSA-N 2 0 238.375 1.759 20 0 BDADRP c1cnn(CCN2CC[NH2+]CCC23CCC3)c1 ZINC000713202933 712454825 /nfs/dbraw/zinc/45/48/25/712454825.db2.gz BXNGDKKSEHGBCG-UHFFFAOYSA-N 2 0 234.347 1.101 20 0 BDADRP CC1(C)CC[C@@H](C[NH+]2CCC(C[NH3+])CC2)OC1 ZINC000713585010 712466071 /nfs/dbraw/zinc/46/60/71/712466071.db2.gz HXDAIQCFXXVWCI-ZDUSSCGKSA-N 2 0 240.391 1.862 20 0 BDADRP CC1(C)CC[C@H](C[N@@H+]2CCC[C@@H](C[NH3+])C2)OC1 ZINC000713586212 712466177 /nfs/dbraw/zinc/46/61/77/712466177.db2.gz MEPMXBGKDQRULX-QWHCGFSZSA-N 2 0 240.391 1.862 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CCC(C)(C)CO2)CC[C@@H]1[NH3+] ZINC000713596612 712466327 /nfs/dbraw/zinc/46/63/27/712466327.db2.gz NALBJVFUQAAKQR-UPJWGTAASA-N 2 0 240.391 1.861 20 0 BDADRP C=C/C=C\CC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000713730623 712470448 /nfs/dbraw/zinc/47/04/48/712470448.db2.gz DBGIYVSFHUWHAJ-SCOBNMCVSA-N 2 0 206.333 1.804 20 0 BDADRP C=C/C=C\CC[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000713749527 712471015 /nfs/dbraw/zinc/47/10/15/712471015.db2.gz QQLUNSIUBFGHFI-VQTKUKTRSA-N 2 0 235.375 1.098 20 0 BDADRP C=C/C=C\CC[N@@H+](C)CCOCC[NH2+]C ZINC000713755553 712472114 /nfs/dbraw/zinc/47/21/14/712472114.db2.gz OBIDOEVGWBJIPI-WAYWQWQTSA-N 2 0 212.337 1.287 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000714700798 712495902 /nfs/dbraw/zinc/49/59/02/712495902.db2.gz PXRYQQCFCFMZGX-FDYHWXHSSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@@H]1CN(CC[C@@H]2C[C@H]2C2CC2)C[C@H]1[NH3+] ZINC000714844198 712501949 /nfs/dbraw/zinc/50/19/49/712501949.db2.gz DEEHJIBPMHMPLX-FOUMNBMASA-N 2 0 208.349 1.702 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000715236457 712513848 /nfs/dbraw/zinc/51/38/48/712513848.db2.gz RJXSXJAOSDFAJC-HZSPNIEDSA-N 2 0 242.407 2.000 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cc[nH]c(=O)c2)C1 ZINC000715217465 712514107 /nfs/dbraw/zinc/51/41/07/712514107.db2.gz HXTIMBWDOPAQKC-CHWSQXEVSA-N 2 0 249.358 1.750 20 0 BDADRP C[NH+](C)C1CCC([NH2+]C[C@H](O)C2CC2)CC1 ZINC000715275495 712515158 /nfs/dbraw/zinc/51/51/58/712515158.db2.gz INHGBLHAXQOQCB-BPCQOVAHSA-N 2 0 226.364 1.220 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CCCS1)C1C[NH2+]C1 ZINC000715642580 712529700 /nfs/dbraw/zinc/52/97/00/712529700.db2.gz KQRMYDMMNPCRCM-KOLCDFICSA-N 2 0 214.378 1.470 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CCCS1 ZINC000715750842 712531237 /nfs/dbraw/zinc/53/12/37/712531237.db2.gz BWQYMJDCZJWGKX-SRVKXCTJSA-N 2 0 228.405 1.989 20 0 BDADRP C[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2)C1C[NH2+]C1 ZINC000716020857 712546824 /nfs/dbraw/zinc/54/68/24/712546824.db2.gz FTLWKBGOGVXESL-FZMOHWGLSA-N 2 0 240.416 1.858 20 0 BDADRP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000716549097 712567711 /nfs/dbraw/zinc/56/77/11/712567711.db2.gz ZFMGNBZYNKXRPO-YOVYLDAJSA-N 2 0 222.376 1.996 20 0 BDADRP C[N@H+](CCCF)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000716808158 712575703 /nfs/dbraw/zinc/57/57/03/712575703.db2.gz HUYUHCXHOUTEBL-YOGCLGLASA-N 2 0 214.328 1.808 20 0 BDADRP C[C@H](C[C@@H]1COCCN1)[NH2+]C[C@H]1CCC=CO1 ZINC000379974990 712643172 /nfs/dbraw/zinc/64/31/72/712643172.db2.gz FPKUORDFNMGWQP-JHJVBQTASA-N 2 0 240.347 1.036 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H](CO)C2CCC2)C12CCC2 ZINC000717596172 712661051 /nfs/dbraw/zinc/66/10/51/712661051.db2.gz VKUOFOPPOYEKHR-QJPTWQEYSA-N 2 0 224.348 1.007 20 0 BDADRP CC1(C)CO[C@H](C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000717612279 712662429 /nfs/dbraw/zinc/66/24/29/712662429.db2.gz DSGYBBQMGLIHCJ-TUAOUCFPSA-N 2 0 238.375 1.661 20 0 BDADRP CO[C@H]1CCC[C@H]1[NH2+]CCCC[NH+](C)C ZINC000380060952 712684579 /nfs/dbraw/zinc/68/45/79/712684579.db2.gz ZNCGMKKQCJHCFY-NEPJUHHUSA-N 2 0 214.353 1.485 20 0 BDADRP CN1CCC[C@H]2[C@H]1CC[N@@H+]2C[C@@H]1CC[C@H]([NH3+])C1 ZINC000717955151 712734422 /nfs/dbraw/zinc/73/44/22/712734422.db2.gz YQQSQUYPRTXUGH-RQJABVFESA-N 3 0 237.391 1.282 20 0 BDADRP C[C@H]([NH2+]CCC[NH3+])c1ccc2c(c1)CCO2 ZINC000037713825 712749624 /nfs/dbraw/zinc/74/96/24/712749624.db2.gz WCXHREJUNANDKN-JTQLQIEISA-N 2 0 220.316 1.621 20 0 BDADRP O[C@@H](C[NH2+]CCc1ccccc1)C[NH+]1CCCC1 ZINC000037859673 712776144 /nfs/dbraw/zinc/77/61/44/712776144.db2.gz FRHWZMQAVXJYFC-HNNXBMFYSA-N 2 0 248.370 1.275 20 0 BDADRP COCC(C)(C)CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000718757301 712780446 /nfs/dbraw/zinc/78/04/46/712780446.db2.gz AMWJWVIFQNIQJB-RYUDHWBXSA-N 2 0 228.380 1.779 20 0 BDADRP COCc1ccccc1C[NH2+]C1CC[NH2+]CC1 ZINC000038041481 712801692 /nfs/dbraw/zinc/80/16/92/712801692.db2.gz XWBWCSOSNMLASI-UHFFFAOYSA-N 2 0 234.343 1.675 20 0 BDADRP Cc1cc(N[C@@H]2CC[N@H+](C)[C@@H]2C)cc[nH+]1 ZINC000719571307 712811047 /nfs/dbraw/zinc/81/10/47/712811047.db2.gz SBVQACKUBZBOGD-ZYHUDNBSSA-N 2 0 205.305 1.316 20 0 BDADRP C[N@H+](CCc1ccns1)CC(C)(C)C[NH3+] ZINC000719829677 712823814 /nfs/dbraw/zinc/82/38/14/712823814.db2.gz BQIDGHZKXPJVKS-UHFFFAOYSA-N 2 0 227.377 1.602 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCc2ccns2)C1 ZINC000719829700 712823851 /nfs/dbraw/zinc/82/38/51/712823851.db2.gz CFOKNPCSPWMWIG-NXEZZACHSA-N 2 0 225.361 1.355 20 0 BDADRP Cc1cc(N2CC[C@H]3[C@@H]2CCC[N@H+]3C)nc(N)[nH+]1 ZINC000720828646 712869107 /nfs/dbraw/zinc/86/91/07/712869107.db2.gz IXPXFLDOAUIBLA-QWRGUYRKSA-N 2 0 247.346 1.040 20 0 BDADRP C[N@H+](C[C@@H]1C[C@H]2CCC[C@@H]2O1)CC(C)(C)C[NH3+] ZINC000720876197 712872442 /nfs/dbraw/zinc/87/24/42/712872442.db2.gz ZJNNZLKODSESOO-AGIUHOORSA-N 2 0 240.391 1.861 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]C[C@H]2C[C@H](O)C2)c2ccccc21 ZINC000720935931 712879853 /nfs/dbraw/zinc/87/98/53/712879853.db2.gz KWIMTWJXQWNQIE-NUZBWSBOSA-N 2 0 232.327 1.492 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=[NH2+])SCC[NH3+])cc1 ZINC001167912562 956878626 /nfs/dbraw/zinc/87/86/26/956878626.db2.gz PXBMWTRBIFOUGJ-QMMMGPOBSA-N 3 0 238.360 1.745 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2COC(C)(C)C2)CC1 ZINC000396497717 956888530 /nfs/dbraw/zinc/88/85/30/956888530.db2.gz OZROOOKYRNNQMJ-RYUDHWBXSA-N 2 0 226.364 1.628 20 0 BDADRP C[C@H]1C[C@@H](O)CC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000705397370 957198470 /nfs/dbraw/zinc/19/84/70/957198470.db2.gz CHVBSTNGHBCKCU-AAEUAGOBSA-N 2 0 226.364 1.173 20 0 BDADRP C[NH+](C)Cc1ccnc(N2CC[C@H]3[NH2+]CC[C@@H]32)c1 ZINC001164412781 718876586 /nfs/dbraw/zinc/87/65/86/718876586.db2.gz YZNPSUFLQRZMDU-OLZOCXBDSA-N 2 0 246.358 1.084 20 0 BDADRP CC[NH+](CC)CCN[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000399032927 958490142 /nfs/dbraw/zinc/49/01/42/958490142.db2.gz MQTFQVMWRTXKJP-NEPJUHHUSA-N 2 0 213.369 1.058 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2CCCSC2)C12CCC2 ZINC000405259219 959424947 /nfs/dbraw/zinc/42/49/47/959424947.db2.gz NSSACFTUSHPIIU-TUAOUCFPSA-N 2 0 240.416 1.989 20 0 BDADRP C1C[C@H]2CC([NH2+]C3CCOCC3)C[C@@H]1[NH2+]2 ZINC000709406200 960580711 /nfs/dbraw/zinc/58/07/11/960580711.db2.gz MQATVQODKNIYBC-FOSCPWQOSA-N 2 0 210.321 1.038 20 0 BDADRP CCCc1cc(N[C@H]([NH3+])CCC[NH3+])nc(C)n1 ZINC001159787079 964200816 /nfs/dbraw/zinc/20/08/16/964200816.db2.gz QXTCJYUBQDVNFA-NSHDSACASA-N 2 0 237.351 1.173 20 0 BDADRP CSc1cccc(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001159787084 964201333 /nfs/dbraw/zinc/20/13/33/964201333.db2.gz RAFIHDGZXPFDGG-MRVPVSSYSA-N 2 0 226.349 1.239 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2CC[C@@](C)(O)C2)CC1 ZINC001168313674 964413280 /nfs/dbraw/zinc/41/32/80/964413280.db2.gz FZFWHANDUGQASH-WXRRBKDZSA-N 2 0 226.364 1.316 20 0 BDADRP CSC1(C[NH2+]CC[C@@H](C)[NH+](C)C)CC1 ZINC000697868699 964596223 /nfs/dbraw/zinc/59/62/23/964596223.db2.gz CLHZIWXDSRQHMB-SNVBAGLBSA-N 2 0 216.394 1.812 20 0 BDADRP C[NH+]1CCC(C)(C[N@@H+]2CCC[C@H]([NH3+])CC2)CC1 ZINC001205094371 965725084 /nfs/dbraw/zinc/72/50/84/965725084.db2.gz LRAKXPGZTZLQAT-ZDUSSCGKSA-N 3 0 239.407 1.532 20 0 BDADRP [NH3+]CCCCCCN1CC2(C1)CCCC[NH2+]2 ZINC001235924714 966165341 /nfs/dbraw/zinc/16/53/41/966165341.db2.gz XDEGPJMXONMQGB-UHFFFAOYSA-N 2 0 225.380 1.333 20 0 BDADRP C[C@@]1([NH3+])CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC001204938499 967243536 /nfs/dbraw/zinc/24/35/36/967243536.db2.gz MJFVJSXDTYDIMB-QWHCGFSZSA-N 3 0 225.380 1.189 20 0 BDADRP C[C@H]1C[N@H+](C[C@H]2CCCCO2)C[C@H]1C[NH3+] ZINC001205131378 967375490 /nfs/dbraw/zinc/37/54/90/967375490.db2.gz WRMIZCRVWIEOLT-QJPTWQEYSA-N 2 0 212.337 1.082 20 0 BDADRP Cc1n[nH]cc1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205264798 967456560 /nfs/dbraw/zinc/45/65/60/967456560.db2.gz MSAMNOWGETWARE-LBPRGKRZSA-N 2 0 222.336 1.421 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H]1Cc2cccc(Cl)c2C1 ZINC001168704807 967548016 /nfs/dbraw/zinc/54/80/16/967548016.db2.gz PFHIPXGATBNXCN-MWLCHTKSSA-N 2 0 238.762 1.992 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cn[nH]c2)CCC[C@H]1C[NH3+] ZINC001205981823 967918823 /nfs/dbraw/zinc/91/88/23/967918823.db2.gz HPPWMDDSTCGRHO-PWSUYJOCSA-N 2 0 222.336 1.217 20 0 BDADRP C[N@@H+]1CCC[C@H](OCC[NH+]2CCCC2)C1 ZINC001206302657 968211060 /nfs/dbraw/zinc/21/10/60/968211060.db2.gz PEIFJLRFARVCHU-LBPRGKRZSA-N 2 0 212.337 1.193 20 0 BDADRP CCCC[C@H](O)C[NH2+]C(C)(C)CC[NH+](C)C ZINC001252109901 968590484 /nfs/dbraw/zinc/59/04/84/968590484.db2.gz FYSHRKJYXYNLSR-LBPRGKRZSA-N 2 0 230.396 1.857 20 0 BDADRP C[NH+](C)CC(C)(C)C[N@@H+]1CC[C@H](O)[C@@H](F)CC1 ZINC001207274714 968701715 /nfs/dbraw/zinc/70/17/15/968701715.db2.gz FJLCZCPNSISUBX-RYUDHWBXSA-N 2 0 246.370 1.369 20 0 BDADRP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@@H](CO)CC1 ZINC001207276361 968710907 /nfs/dbraw/zinc/71/09/07/968710907.db2.gz WERAWQGTFOYOOF-CYBMUJFWSA-N 2 0 242.407 1.669 20 0 BDADRP CCC[NH+]1CCN(CC(C)(C)C[NH+](C)C)CC1 ZINC001207285764 968717094 /nfs/dbraw/zinc/71/70/94/968717094.db2.gz NYKKWAMVALGLIC-UHFFFAOYSA-N 2 0 241.423 1.602 20 0 BDADRP C[NH+](C)CC(C)(C)C[N@@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001207283335 968719588 /nfs/dbraw/zinc/71/95/88/968719588.db2.gz WXAIROBDCJIUHE-NWDGAFQWSA-N 2 0 226.364 1.295 20 0 BDADRP CC[N@H+](CCOC)CCC1CC[NH+](C)CC1 ZINC001207480281 968797149 /nfs/dbraw/zinc/79/71/49/968797149.db2.gz ZRNDUWOXPYQTJV-UHFFFAOYSA-N 2 0 228.380 1.687 20 0 BDADRP C[C@@H]1C[N@@H+](CC2(C)CC[NH+](C)CC2)C[C@H](C)O1 ZINC001208105751 969001894 /nfs/dbraw/zinc/00/18/94/969001894.db2.gz ZZVCWVXVBWVLRD-BETUJISGSA-N 2 0 240.391 1.828 20 0 BDADRP CC[NH+](CC)C[C@H](O)C[N@H+](C)C1CC(C)C1 ZINC001253181532 969101514 /nfs/dbraw/zinc/10/15/14/969101514.db2.gz WLPBDRWIQRYPOJ-WXRRBKDZSA-N 2 0 228.380 1.419 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2C[C@@H](O)CC[C@H]2C)CC1 ZINC001208592578 969148663 /nfs/dbraw/zinc/14/86/63/969148663.db2.gz KIFPJFWGESJYSH-OCCSQVGLSA-N 2 0 240.391 1.564 20 0 BDADRP CN(CCC[NH+](C)C)C[C@H]1CCC[N@H+](C)C1 ZINC001208603307 969154833 /nfs/dbraw/zinc/15/48/33/969154833.db2.gz AWJSDLSZWLAYLU-ZDUSSCGKSA-N 2 0 227.396 1.212 20 0 BDADRP CO[C@H]1CCC[N@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208604826 969155545 /nfs/dbraw/zinc/15/55/45/969155545.db2.gz WRUFQMIFOZCDPI-OLZOCXBDSA-N 2 0 226.364 1.439 20 0 BDADRP C[NH+](C)C1CCN(C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001208605098 969157740 /nfs/dbraw/zinc/15/77/40/969157740.db2.gz YSKGWOYFVWCDFJ-CYBMUJFWSA-N 2 0 239.407 1.354 20 0 BDADRP COC1CC[NH+](C[C@H]2CCC[N@H+](C)C2)CC1 ZINC001208604406 969156031 /nfs/dbraw/zinc/15/60/31/969156031.db2.gz OJILWYQWKZWSJW-LBPRGKRZSA-N 2 0 226.364 1.439 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[C@H]1C[NH3+])C2 ZINC001169099999 969394429 /nfs/dbraw/zinc/39/44/29/969394429.db2.gz YWIBKDHGTDZCNF-RNJOBUHISA-N 2 0 223.364 1.035 20 0 BDADRP CC(C)[C@H](O)C[NH2+]CCCC[NH+]1CCCC1 ZINC001253777842 969400247 /nfs/dbraw/zinc/40/02/47/969400247.db2.gz UDVIRAFFPNRUDS-CYBMUJFWSA-N 2 0 228.380 1.469 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC[C@H]([NH3+])C1)C2 ZINC001169089797 969408762 /nfs/dbraw/zinc/40/87/62/969408762.db2.gz FYOPECNOSNSLMZ-WUHRBBMRSA-N 2 0 223.364 1.035 20 0 BDADRP CC[NH+]1C[C@H]2C[NH+](CCCCOC)C[C@@H]2C1 ZINC001209219709 969409869 /nfs/dbraw/zinc/40/98/69/969409869.db2.gz LYYINKXPVFSPNK-STQMWFEESA-N 2 0 226.364 1.297 20 0 BDADRP CC[NH+]1C[C@@H]2C[NH+]([C@@H]3CCCOC3)C[C@H]2C1 ZINC001254387172 969604319 /nfs/dbraw/zinc/60/43/19/969604319.db2.gz GAFSOMOHYBUBIX-JHJVBQTASA-N 2 0 224.348 1.049 20 0 BDADRP C[C@@H]1[C@H](CO)CC[N@@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254517631 969703468 /nfs/dbraw/zinc/70/34/68/969703468.db2.gz XNXTWMDXKVAFHG-AGIUHOORSA-N 2 0 226.364 1.173 20 0 BDADRP CCO[C@@H]1CC[N@@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254528528 969720224 /nfs/dbraw/zinc/72/02/24/969720224.db2.gz GQRYEVIKDLXFKU-CHWSQXEVSA-N 2 0 226.364 1.582 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+]([C@H]1CCSC1)CC2 ZINC001255292570 970051058 /nfs/dbraw/zinc/05/10/58/970051058.db2.gz GLXRXFXZPFWIHK-NSHDSACASA-N 2 0 226.389 1.520 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N(C)C[C@H](C)C[NH3+] ZINC001255950746 970562477 /nfs/dbraw/zinc/56/24/77/970562477.db2.gz KRESHEUEMIUUAD-OLZOCXBDSA-N 2 0 229.412 1.633 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](C)CO ZINC001255940713 970572512 /nfs/dbraw/zinc/57/25/12/970572512.db2.gz FRONEPMUOFOOBL-QWRGUYRKSA-N 2 0 202.342 1.077 20 0 BDADRP CC[NH+](CC)CC[C@H](C)n1nccc1C[NH3+] ZINC001255941929 970574816 /nfs/dbraw/zinc/57/48/16/970574816.db2.gz ZSUSPJCOKFQISC-NSHDSACASA-N 2 0 224.352 1.635 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)n1cc(CC[NH3+])cn1 ZINC001255945458 970576018 /nfs/dbraw/zinc/57/60/18/970576018.db2.gz GGOKLCLLPWEPFV-GFCCVEGCSA-N 2 0 238.379 1.677 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1O ZINC001255945888 970576279 /nfs/dbraw/zinc/57/62/79/970576279.db2.gz OXRUGEPQQABOSI-MJBXVCDLSA-N 2 0 242.407 2.000 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC001255949850 970581747 /nfs/dbraw/zinc/58/17/47/970581747.db2.gz BUDOJMOQWUPZDG-RWMBFGLXSA-N 2 0 242.407 1.856 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCCC[C@@H](O)C1 ZINC001255958144 970595391 /nfs/dbraw/zinc/59/53/91/970595391.db2.gz YSSYQWFNOYQQHY-UONOGXRCSA-N 2 0 242.407 1.954 20 0 BDADRP CCN(CC[NH+](C)C)[C@@H](C)CC[NH+](CC)CC ZINC001255955714 970598249 /nfs/dbraw/zinc/59/82/49/970598249.db2.gz WZIRCJPYTWDUQB-AWEZNQCLSA-N 2 0 243.439 1.990 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@@H](O)C[C@@H]1C ZINC001255963141 970601672 /nfs/dbraw/zinc/60/16/72/970601672.db2.gz CYWHUIOAVODXEB-MELADBBJSA-N 2 0 242.407 1.952 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH+]1CCC(CO)CC1 ZINC001255959891 970602517 /nfs/dbraw/zinc/60/25/17/970602517.db2.gz PPVYQWXLERXIQH-CYBMUJFWSA-N 2 0 242.407 1.811 20 0 BDADRP COC(=O)[C@@H]1CCC[C@@H]([NH2+]CCCC[NH3+])C1 ZINC000304625849 970623059 /nfs/dbraw/zinc/62/30/59/970623059.db2.gz PXEGVUCLVUHOTG-GHMZBOCLSA-N 2 0 228.336 1.047 20 0 BDADRP C[C@H]([NH3+])c1nccn1C1CC[NH+](C)CC1 ZINC001256195111 970690098 /nfs/dbraw/zinc/69/00/98/970690098.db2.gz ZPDKWRHLLTZVDL-VIFPVBQESA-N 2 0 208.309 1.170 20 0 BDADRP CC[N@@H+]1CCC[C@H](CN[C@H]2CC[NH2+]C2(C)C)C1 ZINC001332422557 975108505 /nfs/dbraw/zinc/10/85/05/975108505.db2.gz XIKDEMKVQWDCFV-OLZOCXBDSA-N 2 0 239.407 1.448 20 0 BDADRP CCC[NH2+]CCN[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC001332875336 975303968 /nfs/dbraw/zinc/30/39/68/975303968.db2.gz APEDOFRZSBHSBI-RYUDHWBXSA-N 2 0 227.396 1.482 20 0 BDADRP COC(=O)CCCC[C@@H](C)[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC001173436959 975374029 /nfs/dbraw/zinc/37/40/29/975374029.db2.gz GWPKLKVTXWDZKW-VXGBXAGGSA-N 2 0 242.363 1.531 20 0 BDADRP C[NH2+][C@H](C)CCN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC001333599540 975882453 /nfs/dbraw/zinc/88/24/53/975882453.db2.gz XBWLCKWGDMKZDC-GRYCIOLGSA-N 2 0 227.396 1.480 20 0 BDADRP C[NH+](C)CCN1CCC12C[NH+](C1CCCC1)C2 ZINC001277930995 978996405 /nfs/dbraw/zinc/99/64/05/978996405.db2.gz ZIPMOKRBEYBJSR-UHFFFAOYSA-N 2 0 237.391 1.251 20 0 BDADRP OCCCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235425521 979041860 /nfs/dbraw/zinc/04/18/60/979041860.db2.gz LNCYBYFGUCQWMS-ZIAGYGMSSA-N 2 0 240.391 1.471 20 0 BDADRP C[C@@H]([NH3+])CN(Cc1ccccc1)CC(C)(C)O ZINC001236111554 979391095 /nfs/dbraw/zinc/39/10/95/979391095.db2.gz KTKQMSREFWNASE-GFCCVEGCSA-N 2 0 236.359 1.607 20 0 BDADRP CC[C@@H]([NH2+]C)C(=O)Nc1ccccc1C[NH3+] ZINC001341672093 979517429 /nfs/dbraw/zinc/51/74/29/979517429.db2.gz XWLWVGNGWCKYDV-SNVBAGLBSA-N 2 0 221.304 1.082 20 0 BDADRP [NH3+]CCCC[N@H+]1C[C@@H]2C(=O)CCC[C@@H]2C1 ZINC001237276415 979858826 /nfs/dbraw/zinc/85/88/26/979858826.db2.gz VQUNRHZROASYDF-MNOVXSKESA-N 2 0 210.321 1.026 20 0 BDADRP CC1(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)COC1 ZINC001237384311 979882704 /nfs/dbraw/zinc/88/27/04/979882704.db2.gz VRNGSRHYNJOGMC-NEPJUHHUSA-N 2 0 224.348 1.097 20 0 BDADRP CCc1nc(C)c(CN(C)CC[NH+](C)C)[nH]1 ZINC001203233864 980700547 /nfs/dbraw/zinc/70/05/47/980700547.db2.gz HQLUZBWIRANPOS-UHFFFAOYSA-N 2 0 224.352 1.274 20 0 BDADRP c1cc2c(c(C3=CCC[NH2+]C3)c1)C[NH2+]C2 ZINC001240665180 981566623 /nfs/dbraw/zinc/56/66/23/981566623.db2.gz QKNRUMSVFCFUQK-UHFFFAOYSA-N 2 0 200.285 1.667 20 0 BDADRP CC(C)[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)C(C)(C)O ZINC001194176809 981590793 /nfs/dbraw/zinc/59/07/93/981590793.db2.gz QIZCGEMVWDTRDP-STQMWFEESA-N 2 0 242.407 1.856 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCCC[NH3+])C1 ZINC001350959182 982138489 /nfs/dbraw/zinc/13/84/89/982138489.db2.gz WXYOZMGTIYYVGA-QWRGUYRKSA-N 3 0 213.369 1.221 20 0 BDADRP CC[C@H]1CC[C@H]([NH2+]CCN2CC[NH+](C)CC2)C1 ZINC000080457083 982431252 /nfs/dbraw/zinc/43/12/52/982431252.db2.gz QCLQWXWKHNSLKM-KBPBESRZSA-N 2 0 239.407 1.402 20 0 BDADRP CCC[C@@H](CCO)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC000716954906 983097885 /nfs/dbraw/zinc/09/78/85/983097885.db2.gz NOPLWICKAJZYGY-QWHCGFSZSA-N 2 0 228.380 1.611 20 0 BDADRP CCCC[C@H](O)C[NH2+]CC12CC[NH+](CC1)CC2 ZINC001252109639 983684103 /nfs/dbraw/zinc/68/41/03/983684103.db2.gz CHMGBWJCJNMDAF-ZDUSSCGKSA-N 2 0 240.391 1.613 20 0 BDADRP C[NH2+][C@@H](C)CC[NH2+]Cc1cccc(COC)c1 ZINC001327415619 972570478 /nfs/dbraw/zinc/57/04/78/972570478.db2.gz KQNVUTPLYOBGNZ-LBPRGKRZSA-N 2 0 236.359 1.921 20 0 BDADRP CC1(C)C[C@@H](N2C[C@H]([NH3+])CC(F)(F)C2)CC[NH2+]1 ZINC001246577370 972880692 /nfs/dbraw/zinc/88/06/92/972880692.db2.gz VUAFRIVLIZJPIZ-ZJUUUORDSA-N 2 0 247.333 1.185 20 0 BDADRP C[NH2+]CC[C@H](C)N(C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001246596728 973010491 /nfs/dbraw/zinc/01/04/91/973010491.db2.gz VJBRIJRGUUDNOW-UONOGXRCSA-N 2 0 241.423 1.837 20 0 BDADRP C[C@H]1CC(N2C[C@H](C)[NH2+]C[C@@H]2C)C[C@H](C)[NH2+]1 ZINC001246875430 973294161 /nfs/dbraw/zinc/29/41/61/973294161.db2.gz VRSICDZLVDGJLJ-BJDJZHNGSA-N 2 0 225.380 1.198 20 0 BDADRP CCOC1CCC(N2C[C@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246915633 973458353 /nfs/dbraw/zinc/45/83/53/973458353.db2.gz HJKXPJQKWQZRFI-XVSSEFHLSA-N 2 0 224.348 1.238 20 0 BDADRP C[C@H](Cc1ccccn1)[NH2+]CCSCC[NH3+] ZINC001256405765 970811009 /nfs/dbraw/zinc/81/10/09/970811009.db2.gz QBSCIXHIKXSREB-LLVKDONJSA-N 2 0 239.388 1.294 20 0 BDADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CCO2)CC1 ZINC001256561982 970856641 /nfs/dbraw/zinc/85/66/41/970856641.db2.gz SJYDJOHPEZQHNI-LBPRGKRZSA-N 2 0 226.364 1.628 20 0 BDADRP CC(C)(C)[NH+]1CCC([NH2+]CC2(O)CC2)CC1 ZINC001256555405 970858008 /nfs/dbraw/zinc/85/80/08/970858008.db2.gz YFNPMGXAVDQAKM-UHFFFAOYSA-N 2 0 226.364 1.364 20 0 BDADRP CN(OCC[NH3+])C1CC[NH+](C(C)(C)C)CC1 ZINC001256564795 970863292 /nfs/dbraw/zinc/86/32/92/970863292.db2.gz TVWHUJNTCDXXOW-UHFFFAOYSA-N 2 0 229.368 1.071 20 0 BDADRP CC(C)(C)[NH+]1CCC([NH2+]CCC2COC2)CC1 ZINC001256562217 970864410 /nfs/dbraw/zinc/86/44/10/970864410.db2.gz MXNZDBLPOJVUOE-UHFFFAOYSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1C[C@@H](O)C[N@@H+]1C1CC[NH+](C(C)(C)C)CC1 ZINC001256569819 970866281 /nfs/dbraw/zinc/86/62/81/970866281.db2.gz PJTZJJGNRMKNCU-DGCLKSJQSA-N 2 0 240.391 1.704 20 0 BDADRP COC[C@@H]1CCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256623903 970889950 /nfs/dbraw/zinc/88/99/50/970889950.db2.gz SVOXVWLFCBSXJE-WJLOJVBCSA-N 2 0 238.375 1.722 20 0 BDADRP CC(C)CC[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC000403245908 970898132 /nfs/dbraw/zinc/89/81/32/970898132.db2.gz RBSYLONCHVOMSD-SNVBAGLBSA-N 2 0 220.307 1.948 20 0 BDADRP CC(C)C[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC000403264639 970901831 /nfs/dbraw/zinc/90/18/31/970901831.db2.gz ZETMURPZTYLMGQ-VIFPVBQESA-N 2 0 206.280 1.558 20 0 BDADRP C1C[NH+](C2CCC([NH+]3CCOCC3)CC2)C1 ZINC001256688770 970922611 /nfs/dbraw/zinc/92/26/11/970922611.db2.gz KBOFRWZVLIIKGN-UHFFFAOYSA-N 2 0 224.348 1.336 20 0 BDADRP CC(C)C[NH+]1CCC([NH2+]C[C@H]2C[C@H](O)C2)CC1 ZINC000720951960 973815376 /nfs/dbraw/zinc/81/53/76/973815376.db2.gz UAVYRLROQZLPAZ-MQMHXKEQSA-N 2 0 240.391 1.467 20 0 BDADRP [NH3+][C@H]1CCN(C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001256848550 970995754 /nfs/dbraw/zinc/99/57/54/970995754.db2.gz OTDKALOHMFTTFI-LBPRGKRZSA-N 2 0 246.358 1.083 20 0 BDADRP Cc1cc(NCCN(C)CC[NH3+])cnc1C ZINC001170502420 971004998 /nfs/dbraw/zinc/00/49/98/971004998.db2.gz WAXSCSZXRPIASB-UHFFFAOYSA-N 2 0 222.336 1.001 20 0 BDADRP CN(CC[NH3+])CCNc1cc[nH+]c(C2CC2)c1 ZINC001170504221 971006244 /nfs/dbraw/zinc/00/62/44/971006244.db2.gz DIRDEQQLQALCNU-UHFFFAOYSA-N 2 0 234.347 1.261 20 0 BDADRP [NH3+]Cc1nccn1[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256894222 971016120 /nfs/dbraw/zinc/01/61/20/971016120.db2.gz FVTLVOTTZODGKP-ZDUSSCGKSA-N 2 0 248.374 1.921 20 0 BDADRP C[C@H](C[NH3+])C[N@H+](C)C1C[C@H](C)O[C@@H](C)C1 ZINC001257082542 971093420 /nfs/dbraw/zinc/09/34/20/971093420.db2.gz AAWGQDFKYQIHKP-VWYCJHECSA-N 2 0 214.353 1.469 20 0 BDADRP C[C@@H]1CC([N@H+](C)CCC[NH+](C)C)C[C@@H](C)O1 ZINC001257088309 971100924 /nfs/dbraw/zinc/10/09/24/971100924.db2.gz YQFXPKPHNPZCIN-VXGBXAGGSA-N 2 0 228.380 1.826 20 0 BDADRP COC(=O)[C@@H]1CC[C@H]([N@H+](C)CCC[NH+](C)C)C1 ZINC001170535428 971110827 /nfs/dbraw/zinc/11/08/27/971110827.db2.gz AXYQDHKZFUUZFR-NEPJUHHUSA-N 2 0 242.363 1.212 20 0 BDADRP CC(C)N(CC[NH3+])C1CC[NH+](C(C)C)CC1 ZINC001257204853 971123720 /nfs/dbraw/zinc/12/37/20/971123720.db2.gz QVOPUBXNEJSNCX-UHFFFAOYSA-N 2 0 227.396 1.528 20 0 BDADRP CC(C)[NH+]1CCC(NC(C)(C)C[NH3+])CC1 ZINC001257201893 971125171 /nfs/dbraw/zinc/12/51/71/971125171.db2.gz LFENMRIKOZIDMS-UHFFFAOYSA-N 2 0 213.369 1.186 20 0 BDADRP CC(C)[NH+]1CCC([N@@H+]2CC[C@@H](O)[C@@H](C)C2)CC1 ZINC001257214341 971127463 /nfs/dbraw/zinc/12/74/63/971127463.db2.gz BRYZUXBJYIHLOH-GXTWGEPZSA-N 2 0 240.391 1.562 20 0 BDADRP CCC(CC)[NH2+]C[C@H]1O[C@H](C(C)C)O[C@@H]1C[NH3+] ZINC001257290041 971175625 /nfs/dbraw/zinc/17/56/25/971175625.db2.gz LCBIEHCRVJPDRB-JHJVBQTASA-N 2 0 244.379 1.489 20 0 BDADRP C[C@@H](Nc1c[nH+]cc2cc[nH]c21)[C@@H]1C[NH2+]CCO1 ZINC001170568980 971203521 /nfs/dbraw/zinc/20/35/21/971203521.db2.gz QHPLMEZQTGIUIG-SKDRFNHKSA-N 2 0 246.314 1.352 20 0 BDADRP C[NH+](C)C1(CN[C@@H]2C[C@H]([NH3+])C23CCC3)CCC1 ZINC000405196348 971210160 /nfs/dbraw/zinc/21/01/60/971210160.db2.gz AOIWOEPMNRLOPN-NWDGAFQWSA-N 2 0 237.391 1.330 20 0 BDADRP CCC[N@H+](CC)CCN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405201916 971210172 /nfs/dbraw/zinc/21/01/72/971210172.db2.gz BDPNCLNEDUXJIS-QWHCGFSZSA-N 2 0 239.407 1.578 20 0 BDADRP CC[NH+]1CCC(N[C@@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000405236184 971211462 /nfs/dbraw/zinc/21/14/62/971211462.db2.gz SRQWWJCVZQWQBJ-QWHCGFSZSA-N 2 0 237.391 1.330 20 0 BDADRP CC[N@@H+]1CC[C@@H](OC[C@@H]2CCC[NH+]2C)C1 ZINC001224819934 974006776 /nfs/dbraw/zinc/00/67/76/974006776.db2.gz QZLGPQIRGMXCQJ-NWDGAFQWSA-N 2 0 212.337 1.191 20 0 BDADRP [NH3+][C@H]1C[C@H](NC2CC[NH+](C3CC3)CC2)C12CCC2 ZINC000405245599 971223173 /nfs/dbraw/zinc/22/31/73/971223173.db2.gz ZRMKFIKIRBKFFJ-KBPBESRZSA-N 2 0 249.402 1.473 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2CCSC2)C12CCC2 ZINC000405315338 971232456 /nfs/dbraw/zinc/23/24/56/971232456.db2.gz RCMKMGOAUHAPBM-AXFHLTTASA-N 2 0 226.389 1.599 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000405294284 971234261 /nfs/dbraw/zinc/23/42/61/971234261.db2.gz ZYLVHEBKLKVNJR-YNEHKIRRSA-N 2 0 237.391 1.330 20 0 BDADRP CCCC(CCC)[NH+]1CCN(CCC[NH3+])CC1 ZINC001257330079 971235853 /nfs/dbraw/zinc/23/58/53/971235853.db2.gz BNKWSJMLUCGUCQ-UHFFFAOYSA-N 2 0 241.423 1.922 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@@H](O)C2)C12CCC2 ZINC000405372940 971247514 /nfs/dbraw/zinc/24/75/14/971247514.db2.gz ZOSPQGVVCKDWID-KKOKHZNYSA-N 2 0 224.348 1.007 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]CC2CCOCC2)C12CCC2 ZINC000405346364 971242357 /nfs/dbraw/zinc/24/23/57/971242357.db2.gz LCLSJALXFUAKHE-RYUDHWBXSA-N 2 0 224.348 1.273 20 0 BDADRP COCC1(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CCC1 ZINC000405359515 971243050 /nfs/dbraw/zinc/24/30/50/971243050.db2.gz SVGIBDMSEGFXJX-NWDGAFQWSA-N 2 0 238.375 1.663 20 0 BDADRP COC[C@H](C)C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405352886 971244940 /nfs/dbraw/zinc/24/49/40/971244940.db2.gz PLCUPMUZJZACIJ-GMTAPVOTSA-N 2 0 212.337 1.128 20 0 BDADRP CC[NH+](CC)CCN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405382929 971246887 /nfs/dbraw/zinc/24/68/87/971246887.db2.gz DJBXYLQDOCJBEX-RYUDHWBXSA-N 2 0 225.380 1.188 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]CC2(CCO)CC2)C12CCC2 ZINC000405394850 971248458 /nfs/dbraw/zinc/24/84/58/971248458.db2.gz HZZXNDBJCYTKJO-QWRGUYRKSA-N 2 0 224.348 1.009 20 0 BDADRP C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405405047 971251961 /nfs/dbraw/zinc/25/19/61/971251961.db2.gz RJOBJMJCLGBMDJ-VPOLOUISSA-N 2 0 226.389 1.597 20 0 BDADRP CC(F)(F)CC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405414234 971253390 /nfs/dbraw/zinc/25/33/90/971253390.db2.gz NXVXOWRJBYNKOP-DTWKUNHWSA-N 2 0 218.291 1.891 20 0 BDADRP C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405405041 971254539 /nfs/dbraw/zinc/25/45/39/971254539.db2.gz RJOBJMJCLGBMDJ-LMLFDSFASA-N 2 0 226.389 1.597 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]CCOCC2CC2)C12CCC2 ZINC000405432333 971255469 /nfs/dbraw/zinc/25/54/69/971255469.db2.gz SOYUJDONZMIRQW-NWDGAFQWSA-N 2 0 224.348 1.273 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc(CO)c2)C12CCC2 ZINC000405471192 971259274 /nfs/dbraw/zinc/25/92/74/971259274.db2.gz KXXXGZDROUQLRO-KBPBESRZSA-N 2 0 246.354 1.538 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cccc(CO)c2)C12CCC2 ZINC000405471197 971260540 /nfs/dbraw/zinc/26/05/40/971260540.db2.gz KXXXGZDROUQLRO-UONOGXRCSA-N 2 0 246.354 1.538 20 0 BDADRP CC(C)(C)C[C@H](CO)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405501176 971263660 /nfs/dbraw/zinc/26/36/60/971263660.db2.gz QXPGBZKFJSJMSU-IJLUTSLNSA-N 2 0 240.391 1.643 20 0 BDADRP CC(C)(C)C[C@H](CO)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405501170 971266124 /nfs/dbraw/zinc/26/61/24/971266124.db2.gz QXPGBZKFJSJMSU-GRYCIOLGSA-N 2 0 240.391 1.643 20 0 BDADRP CCC1(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)COC1 ZINC000405515183 971267313 /nfs/dbraw/zinc/26/73/13/971267313.db2.gz ULGCELNJFNEOKY-WDEREUQCSA-N 2 0 224.348 1.273 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H]2CO[C@@H](C)[C@H]2C)CC1 ZINC000405539922 971271093 /nfs/dbraw/zinc/27/10/93/971271093.db2.gz JCERQXUREZWSTQ-MBNYWOFBSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CO[C@H](C)[C@@H]1C)C[NH+]1CCCC1 ZINC000405565411 971275724 /nfs/dbraw/zinc/27/57/24/971275724.db2.gz ZZJYHBNKSIYQSL-XJFOESAGSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@@]1([NH3+])CCN(Cc2c[nH]c3ncccc23)C1 ZINC000405782005 971309113 /nfs/dbraw/zinc/30/91/13/971309113.db2.gz DLXKGJAAOBTGSC-CYBMUJFWSA-N 2 0 230.315 1.486 20 0 BDADRP CC(C)CCc1nnc([C@H](N)CCCC[NH3+])o1 ZINC001217700001 971339952 /nfs/dbraw/zinc/33/99/52/971339952.db2.gz VSPXLCNRNDFJTL-SNVBAGLBSA-N 2 0 240.351 1.787 20 0 BDADRP CCCc1nnc(C[C@@H]([NH3+])CCCC[NH3+])o1 ZINC001217717629 971358541 /nfs/dbraw/zinc/35/85/41/971358541.db2.gz MFROMFNDNPKESW-VIFPVBQESA-N 2 0 226.324 1.021 20 0 BDADRP CC[C@H](C)N(CC[NH+](C)C)CC[NH+](C)C ZINC001257443862 971359810 /nfs/dbraw/zinc/35/98/10/971359810.db2.gz YQSANFBLJOGPPI-LBPRGKRZSA-N 2 0 215.385 1.210 20 0 BDADRP C[C@@H]1C[C@@H]1c1nnc([C@@](C)([NH3+])CCCC[NH3+])o1 ZINC001217755693 971384769 /nfs/dbraw/zinc/38/47/69/971384769.db2.gz LHQNRRDHAHZEGV-PTRXPTGYSA-N 2 0 238.335 1.496 20 0 BDADRP C[C@]([NH3+])(CCCC[NH3+])c1nnc(C2CCC2)o1 ZINC001217755314 971387342 /nfs/dbraw/zinc/38/73/42/971387342.db2.gz GZCDDDFCQNANBG-LBPRGKRZSA-N 2 0 238.335 1.640 20 0 BDADRP Cc1cnc(N2CCC[C@@](C)(C[NH3+])C2)c(C[NH3+])c1 ZINC001158678523 971392743 /nfs/dbraw/zinc/39/27/43/971392743.db2.gz KPAWCEARYMLHBJ-AWEZNQCLSA-N 2 0 248.374 1.414 20 0 BDADRP CCCc1nnc(C[NH2+]CC2CC[NH2+]CC2)o1 ZINC001217757620 971391064 /nfs/dbraw/zinc/39/10/64/971391064.db2.gz PSFQBYNUPNDXTO-UHFFFAOYSA-N 2 0 238.335 1.111 20 0 BDADRP C[C@@H]1C[NH2+]CCC[C@@H]1OC[C@H]1CCC[NH2+]C1 ZINC001217779667 971399005 /nfs/dbraw/zinc/39/90/05/971399005.db2.gz NZEWPTXMXYRKFD-AGIUHOORSA-N 2 0 226.364 1.391 20 0 BDADRP C[C@@H]1C[C@@H](OC[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001217791408 971399565 /nfs/dbraw/zinc/39/95/65/971399565.db2.gz NYUSLTYRRVNNRE-UTUOFQBUSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H]1C[C@@H](OC[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001217791409 971400251 /nfs/dbraw/zinc/40/02/51/971400251.db2.gz NYUSLTYRRVNNRE-WOPDTQHZSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H]1C[C@@H](OCCCCCCC[NH3+])C[NH2+]1 ZINC001217785673 971403409 /nfs/dbraw/zinc/40/34/09/971403409.db2.gz PMNDWDDUWIBHMB-VXGBXAGGSA-N 2 0 214.353 1.663 20 0 BDADRP C[C@@H]1C[C@H](OCCCCC2CC[NH2+]CC2)C[NH2+]1 ZINC001217788985 971407357 /nfs/dbraw/zinc/40/73/57/971407357.db2.gz MVESNRRQSQBIAZ-OCCSQVGLSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1OCC[C@@H]1CCC[NH2+]C1 ZINC001217788696 971408013 /nfs/dbraw/zinc/40/80/13/971408013.db2.gz KQINJMUXWQXEQG-FRRDWIJNSA-N 2 0 226.364 1.391 20 0 BDADRP C(O[C@H]1CC[C@@H]2CCC[C@H]1[NH2+]2)[C@@H]1CCC[NH2+]C1 ZINC001217819936 971417877 /nfs/dbraw/zinc/41/78/77/971417877.db2.gz HIOHHAKFXOIOID-RQJABVFESA-N 2 0 238.375 1.676 20 0 BDADRP C(C[C@H]1CC[NH2+]C1)O[C@H]1CC[C@@H]2CCC[C@H]1[NH2+]2 ZINC001217820745 971418608 /nfs/dbraw/zinc/41/86/08/971418608.db2.gz RYMDYEPIEHHFHM-RQJABVFESA-N 2 0 238.375 1.676 20 0 BDADRP C(O[C@H]1CC[C@@H]2CCC[C@H]1[NH2+]2)[C@H]1CCC[NH2+]C1 ZINC001217819934 971418661 /nfs/dbraw/zinc/41/86/61/971418661.db2.gz HIOHHAKFXOIOID-FQUUOJAGSA-N 2 0 238.375 1.676 20 0 BDADRP CCCCC[C@@H](C)[NH2+][C@@H]1COC[C@H]1N ZINC001257501772 971419229 /nfs/dbraw/zinc/41/92/29/971419229.db2.gz MIQOKTSJHJEIIC-GMTAPVOTSA-N 2 0 200.326 1.271 20 0 BDADRP C(CC1CC[NH2+]CC1)O[C@@H]1CCC[NH2+]C1 ZINC001217859184 971450688 /nfs/dbraw/zinc/45/06/88/971450688.db2.gz FAHVVFMZUJEJKF-GFCCVEGCSA-N 2 0 212.337 1.145 20 0 BDADRP C(C[C@H]1CCC[NH2+]C1)O[C@@H]1CCC[NH2+]C1 ZINC001217861455 971455216 /nfs/dbraw/zinc/45/52/16/971455216.db2.gz VWBKYZDOZHJPPX-VXGBXAGGSA-N 2 0 212.337 1.145 20 0 BDADRP c1cc2c(cc1CO[C@H]1CCC[NH2+]C1)CC[NH2+]C2 ZINC001217859769 971452733 /nfs/dbraw/zinc/45/27/33/971452733.db2.gz GUHUBSXNLKZNDG-HNNXBMFYSA-N 2 0 246.354 1.601 20 0 BDADRP CC[N@@H+]1CCC[C@@H](OC[C@@H]2CCC[NH2+]C2)C1 ZINC001217889980 971485444 /nfs/dbraw/zinc/48/54/44/971485444.db2.gz JWQDXZPDGDKUQE-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP CC(C)[N@@H+]1CCC[C@H](OC[C@H]2CCC[NH2+]C2)C1 ZINC001217889182 971486495 /nfs/dbraw/zinc/48/64/95/971486495.db2.gz DPMASRLIEZBEQG-KBPBESRZSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)CCC[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133297112 971490895 /nfs/dbraw/zinc/49/08/95/971490895.db2.gz GZEXBGLXRRRBSU-UHFFFAOYSA-N 2 0 243.395 1.080 20 0 BDADRP [NH2+]=C(NC1CCC2(COC2)CC1)SCC[NH3+] ZINC001257897842 971531318 /nfs/dbraw/zinc/53/13/18/971531318.db2.gz SCFQYFYNUGEIPW-UHFFFAOYSA-N 2 0 243.376 1.162 20 0 BDADRP C[NH2+][C@H]1C[C@@H](Oc2ccc3c(c2)C[NH2+]C3)C1 ZINC001217957918 971545599 /nfs/dbraw/zinc/54/55/99/971545599.db2.gz WZBJCXFBUFRVMC-BJHJDKERSA-N 2 0 218.300 1.419 20 0 BDADRP CC(C)C[NH+]1CCC([NH2+][C@]2(C)CCOC2)CC1 ZINC001258007545 971552318 /nfs/dbraw/zinc/55/23/18/971552318.db2.gz GPVDRZDRAMIHIS-CQSZACIVSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)C[NH+]1CCC([NH2+][C@@]2(C)C[C@H](O)C2)CC1 ZINC001258002720 971555550 /nfs/dbraw/zinc/55/55/50/971555550.db2.gz AJNNFGWWCNSWBT-HDJSIYSDSA-N 2 0 240.391 1.610 20 0 BDADRP c1cc(O[C@@H]2CCCC[NH2+]C2)nc2c1C[NH2+]CC2 ZINC001217970624 971555818 /nfs/dbraw/zinc/55/58/18/971555818.db2.gz ONZDPWXDMKIGPN-GFCCVEGCSA-N 2 0 247.342 1.248 20 0 BDADRP C[C@H]1C[NH2+]CCC[C@@H]1Oc1ccc(C[NH3+])cc1 ZINC001217990121 971561805 /nfs/dbraw/zinc/56/18/05/971561805.db2.gz HGTXWKFTQMAQTG-FZMZJTMJSA-N 2 0 234.343 1.912 20 0 BDADRP C[C@@H]([NH3+])c1ccc(O[C@H]2C[NH2+]C[C@@H]2F)cc1 ZINC001218022823 971571841 /nfs/dbraw/zinc/57/18/41/971571841.db2.gz ZGFKLPVCFURTAG-ZHAHWJHGSA-N 2 0 224.279 1.395 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1Oc1ccc(C[NH3+])cc1 ZINC001218032197 971577252 /nfs/dbraw/zinc/57/72/52/971577252.db2.gz XSTZKEXLIJHEIN-RISCZKNCSA-N 2 0 234.343 1.912 20 0 BDADRP C[C@H]([NH3+])c1ccc(O[C@@H]2C[NH2+][C@H](C)C2)cc1 ZINC001218050738 971589190 /nfs/dbraw/zinc/58/91/90/971589190.db2.gz RZIMUUUWTIZMJR-NRUUGDAUSA-N 2 0 220.316 1.836 20 0 BDADRP C[NH+](C)Cc1ccccc1O[C@H]1CC[NH2+]C1 ZINC001218182597 971618168 /nfs/dbraw/zinc/61/81/68/971618168.db2.gz WSVIDMWGDUUKMP-LBPRGKRZSA-N 2 0 220.316 1.489 20 0 BDADRP C[C@@H]([NH3+])c1ccc(O[C@H]2CCC23C[NH2+]C3)cc1 ZINC001218243733 971650009 /nfs/dbraw/zinc/65/00/09/971650009.db2.gz HRMCAKQHSFMOBI-MFKMUULPSA-N 2 0 232.327 1.837 20 0 BDADRP [NH3+]Cc1cccc(O[C@H]2C[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC001218251304 971650781 /nfs/dbraw/zinc/65/07/81/971650781.db2.gz SFRDGDFIQZDNLU-IACUBPJLSA-N 2 0 232.327 1.665 20 0 BDADRP Nc1cc(NC=C2CC[NH2+]CC2)cc[nH+]1 ZINC001159114042 971696800 /nfs/dbraw/zinc/69/68/00/971696800.db2.gz OCSWQHGDTYCCGK-UHFFFAOYSA-N 2 0 204.277 1.343 20 0 BDADRP c1cc2c(c(O[C@@H]3C=CC[NH2+]C3)c1)CC[NH2+]C2 ZINC001218330728 971713083 /nfs/dbraw/zinc/71/30/83/971713083.db2.gz HXONCCHRDHZHJC-GFCCVEGCSA-N 2 0 230.311 1.239 20 0 BDADRP C[NH+](C)CCCCC[NH2+][C@@H]1CCCOCC1 ZINC001170774855 971799170 /nfs/dbraw/zinc/79/91/70/971799170.db2.gz DRYRUQFZSTVTTM-CYBMUJFWSA-N 2 0 228.380 1.877 20 0 BDADRP [NH3+]CC1(F)CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC001222526482 972540816 /nfs/dbraw/zinc/54/08/16/972540816.db2.gz BXSNAJCTBJSKNY-GFCCVEGCSA-N 3 0 243.370 1.139 20 0 BDADRP [NH3+][C@@H]1C[C@H]1c1ccc(O[C@@H]2C[C@H]3C[NH2+][C@@H]2C3)cc1 ZINC001218494292 971833491 /nfs/dbraw/zinc/83/34/91/971833491.db2.gz NCPCZQZHWRTGDS-NJEAUENSSA-N 2 0 244.338 1.630 20 0 BDADRP CC(C)([NH3+])CCNC(=O)CCC1CC[NH2+]CC1 ZINC001330941393 974537283 /nfs/dbraw/zinc/53/72/83/974537283.db2.gz LKBVNQXOURQBNP-UHFFFAOYSA-N 2 0 241.379 1.010 20 0 BDADRP C[NH+](C)C1CCC([NH2+]C[C@H]2CCCO2)CC1 ZINC000309921384 971882872 /nfs/dbraw/zinc/88/28/72/971882872.db2.gz SGOICGYJQFZURU-WXRRBKDZSA-N 2 0 226.364 1.628 20 0 BDADRP CC[NH+](CC)CC(=O)NCC[NH2+]CC=C(C)C ZINC001135510604 971907096 /nfs/dbraw/zinc/90/70/96/971907096.db2.gz BYJSZXPEIQKGCV-UHFFFAOYSA-N 2 0 241.379 1.000 20 0 BDADRP C[C@@H](Nc1[nH+]ccc2[nH]ccc21)[C@@H]1C[NH2+]CCO1 ZINC001159488212 971913607 /nfs/dbraw/zinc/91/36/07/971913607.db2.gz ATWLAIKLPWSSHT-SKDRFNHKSA-N 2 0 246.314 1.352 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+]([C@H]1CCCOCC1)CC2 ZINC001170837030 971958624 /nfs/dbraw/zinc/95/86/24/971958624.db2.gz YXGIHLIYJQNKAX-ZDUSSCGKSA-N 2 0 238.375 1.583 20 0 BDADRP Cc1cccc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)n1 ZINC000310399371 971973569 /nfs/dbraw/zinc/97/35/69/971973569.db2.gz MQPJCTKXNOYUGL-CYBMUJFWSA-N 2 0 233.359 1.951 20 0 BDADRP Cc1cc(C)c(NC(=O)[C@@H]([NH3+])CCC[NH3+])cc1C ZINC001219007152 971973584 /nfs/dbraw/zinc/97/35/84/971973584.db2.gz JPSXUYVUQDVUOR-LBPRGKRZSA-N 2 0 249.358 1.617 20 0 BDADRP C[C@@H](C[NH3+])C(=O)Nc1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC001218998038 971971013 /nfs/dbraw/zinc/97/10/13/971971013.db2.gz XXXVHISVYFJQQO-CMPLNLGQSA-N 2 0 247.342 1.297 20 0 BDADRP CC[C@H](C)[C@@H]([NH3+])CC(=O)Nc1ccc(C[NH3+])cc1 ZINC001219345666 972007279 /nfs/dbraw/zinc/00/72/79/972007279.db2.gz ZSKKYVBTHZFIQO-GWCFXTLKSA-N 2 0 249.358 1.847 20 0 BDADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC ZINC001135979611 972015847 /nfs/dbraw/zinc/01/58/47/972015847.db2.gz HRGVDTKRNSJWLI-NWDGAFQWSA-N 2 0 243.395 1.221 20 0 BDADRP CCC(=O)Nc1cc(NCC[C@@H](C)[NH3+])cc[nH+]1 ZINC001170895815 972051356 /nfs/dbraw/zinc/05/13/56/972051356.db2.gz YBIRSSXNYUYTMP-SECBINFHSA-N 2 0 236.319 1.579 20 0 BDADRP CCc1cnc(Cl)nc1N[C@H]([NH3+])CCC[NH3+] ZINC001170898465 972054665 /nfs/dbraw/zinc/05/46/65/972054665.db2.gz OCRYREJUMZCLSV-QMMMGPOBSA-N 2 0 243.742 1.128 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ccccc1-c1ncco1 ZINC001170898083 972054744 /nfs/dbraw/zinc/05/47/44/972054744.db2.gz BKMQRSCICFQQEL-GFCCVEGCSA-N 2 0 246.314 1.777 20 0 BDADRP CC(C)Oc1ccc(N[C@@H]([NH3+])CCC[NH3+])nc1 ZINC001170899596 972062021 /nfs/dbraw/zinc/06/20/21/972062021.db2.gz XIXQBKCSXYBOPH-LLVKDONJSA-N 2 0 238.335 1.304 20 0 BDADRP Cc1ncc2ccc(N[C@H]([NH3+])CCC[NH3+])cc2n1 ZINC001170900218 972063679 /nfs/dbraw/zinc/06/36/79/972063679.db2.gz JPIHFGDBFWFHKR-ZDUSSCGKSA-N 2 0 245.330 1.374 20 0 BDADRP Cc1ccc(C)c(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001170899940 972065089 /nfs/dbraw/zinc/06/50/89/972065089.db2.gz YYAWWSRODGVXTB-JTQLQIEISA-N 2 0 208.309 1.134 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc(C2([NH3+])CC2)cc1 ZINC001170900246 972065571 /nfs/dbraw/zinc/06/55/71/972065571.db2.gz QRFBZZCDGVTXBG-GFCCVEGCSA-N 3 0 234.347 1.070 20 0 BDADRP Cc1ccc2cccc(N[C@@H]([NH3+])CCC[NH3+])c2n1 ZINC001170899988 972065704 /nfs/dbraw/zinc/06/57/04/972065704.db2.gz NZBCAZYODKBSMM-CYBMUJFWSA-N 2 0 244.342 1.979 20 0 BDADRP Cc1[nH]c2ncc(N[C@H]([NH3+])CCC[NH3+])cc2c1C ZINC001170900348 972066403 /nfs/dbraw/zinc/06/64/03/972066403.db2.gz KIIHLWQNKWHSFZ-LBPRGKRZSA-N 2 0 247.346 1.615 20 0 BDADRP Cc1cc2cc(N[C@@H]([NH3+])CCC[NH3+])ccc2[nH]1 ZINC001170901113 972070571 /nfs/dbraw/zinc/07/05/71/972070571.db2.gz WQQVRXUTQXWWEY-CYBMUJFWSA-N 2 0 232.331 1.912 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1c(Cl)ccnc1Cl ZINC001159786357 972111744 /nfs/dbraw/zinc/11/17/44/972111744.db2.gz YNQRSNJFWTZFJH-ZETCQYMHSA-N 2 0 249.145 1.824 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc2cccc(F)c2n1 ZINC001159786448 972113615 /nfs/dbraw/zinc/11/36/15/972113615.db2.gz ASJPUKHJWHQPOB-LLVKDONJSA-N 2 0 248.305 1.810 20 0 BDADRP C[C@@H]([NH3+])c1nccn1[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246079656 972130807 /nfs/dbraw/zinc/13/08/07/972130807.db2.gz DWWCZYGKBPSNRQ-OPRDCNLKSA-N 2 0 208.309 1.216 20 0 BDADRP C[C@H]1CC([NH2+]CC2([NH3+])CCCC2)C[C@H](C)O1 ZINC001246077576 972131482 /nfs/dbraw/zinc/13/14/82/972131482.db2.gz XFDSTCIDYPXDAT-QWRGUYRKSA-N 2 0 226.364 1.804 20 0 BDADRP COC(=O)C1CCC([NH2+]C2CC[NH2+]CC2)CC1 ZINC001246080420 972134242 /nfs/dbraw/zinc/13/42/42/972134242.db2.gz QXUQJDIRYYJPBK-UHFFFAOYSA-N 2 0 240.347 1.060 20 0 BDADRP Cc1cnc(CC[NH2+][C@H]2CC[NH2+][C@@H](C)C2)nc1 ZINC001246080760 972135636 /nfs/dbraw/zinc/13/56/36/972135636.db2.gz JSRCWWVPUWBMSZ-RYUDHWBXSA-N 2 0 234.347 1.058 20 0 BDADRP C[C@]1(CN[C@H]2CCCC[NH2+]C2)CCCC[NH2+]C1 ZINC001246089830 972145077 /nfs/dbraw/zinc/14/50/77/972145077.db2.gz GZWVJPSZRSHOJO-KBPBESRZSA-N 2 0 239.407 1.498 20 0 BDADRP C[C@H]1CC[C@H](n2c(C[NH3+])nc3ccccc32)C[NH2+]1 ZINC001246091906 972146371 /nfs/dbraw/zinc/14/63/71/972146371.db2.gz BBFBWSLLANIWTC-QWRGUYRKSA-N 2 0 244.342 1.808 20 0 BDADRP CC(C)(C)[C@H]1C[C@@H](NCC2(C)C[NH2+]C2)CC[NH2+]1 ZINC001246095222 972148783 /nfs/dbraw/zinc/14/87/83/972148783.db2.gz OWLRRWBQCOKNIA-NWDGAFQWSA-N 2 0 239.407 1.352 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](C[NH2+][C@@H]2COC(C)(C)C2)C1 ZINC001246095673 972149480 /nfs/dbraw/zinc/14/94/80/972149480.db2.gz BXVTXZICJWQEOB-TUAOUCFPSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@@H](Cc1cccnc1)[NH2+]C[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246097489 972150399 /nfs/dbraw/zinc/15/03/99/972150399.db2.gz OOAWUYQVPAVHGF-IPYPFGDCSA-N 2 0 247.386 1.990 20 0 BDADRP C[C@@H]1C[C@@H](NC[C@H]2C[NH2+]C[C@@H](C)C2)C[C@H](C)[NH2+]1 ZINC001246102865 972160816 /nfs/dbraw/zinc/16/08/16/972160816.db2.gz SPXASISNCLYXKH-QNSTZXKLSA-N 2 0 239.407 1.351 20 0 BDADRP C[C@H]1CC[NH2+]C[C@H]1C[NH2+]C1CCOCC1 ZINC001246108598 972171678 /nfs/dbraw/zinc/17/16/78/972171678.db2.gz CMTNLGUSENBXIN-QWRGUYRKSA-N 2 0 212.337 1.001 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+]C2CCSCC2)[NH2+]C1 ZINC001246110180 972174332 /nfs/dbraw/zinc/17/43/32/972174332.db2.gz HLLOJDCNLCWBAW-ZYHUDNBSSA-N 2 0 228.405 1.860 20 0 BDADRP CCOCC[C@H](C)[NH2+]C[C@H]1CCC[NH2+][C@H]1C ZINC001246108904 972175513 /nfs/dbraw/zinc/17/55/13/972175513.db2.gz IWLVFYLBHBOBBZ-RWMBFGLXSA-N 2 0 228.380 1.779 20 0 BDADRP C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246116624 972180697 /nfs/dbraw/zinc/18/06/97/972180697.db2.gz OIIYWIQFLYEFLD-JHJVBQTASA-N 2 0 237.391 1.249 20 0 BDADRP C[C@H](Cc1cccnc1)[NH2+]C[C@@H]1C[NH2+]CC[C@H]1C ZINC001246115695 972182891 /nfs/dbraw/zinc/18/28/91/972182891.db2.gz SPCNTAJWCACODM-NFAWXSAZSA-N 2 0 247.386 1.848 20 0 BDADRP C1C[C@]2(C[NH2+]1)CCC[C@H]([NH2+][C@H]1CCCNC1)C2 ZINC001246121011 972185346 /nfs/dbraw/zinc/18/53/46/972185346.db2.gz VKOXWZOJDPXKEM-MELADBBJSA-N 2 0 237.391 1.250 20 0 BDADRP Cc1cnc(CC[NH3+])n1[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246175955 972206229 /nfs/dbraw/zinc/20/62/29/972206229.db2.gz JNYRJYQYJIGSHG-MWLCHTKSSA-N 2 0 222.336 1.006 20 0 BDADRP C[C@H]1CC[C@@H]([NH2+]C2CC3(C2)CC[NH2+]CC3)CN1 ZINC001246176548 972207882 /nfs/dbraw/zinc/20/78/82/972207882.db2.gz LOWOKOHOHNQILP-NWDGAFQWSA-N 3 0 237.391 1.249 20 0 BDADRP CC[C@@H]1C[C@@H](NC[C@@H]2CC[NH2+]2)C[C@H](CC)[NH2+]1 ZINC001246192600 972214253 /nfs/dbraw/zinc/21/42/53/972214253.db2.gz IJIUAOXSBYWBPI-RNJOBUHISA-N 2 0 225.380 1.247 20 0 BDADRP Fc1cccc2c1C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)C2 ZINC001246198575 972214994 /nfs/dbraw/zinc/21/49/94/972214994.db2.gz QJHXVWIWNGJFFS-AAEUAGOBSA-N 2 0 248.345 1.882 20 0 BDADRP CC(C)OCC[C@H](C)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC001246198461 972215065 /nfs/dbraw/zinc/21/50/65/972215065.db2.gz PIIRAEHRVQQPQH-STQMWFEESA-N 2 0 228.380 1.779 20 0 BDADRP CC1(C)C[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)CO1 ZINC000396511154 956896651 /nfs/dbraw/zinc/89/66/51/956896651.db2.gz XMPJXJIZPQHECS-WDEREUQCSA-N 2 0 212.337 1.143 20 0 BDADRP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](C)C2)CC1(C)C ZINC001208614980 957105063 /nfs/dbraw/zinc/10/50/63/957105063.db2.gz GJMSPUQLBIYRGY-CYBMUJFWSA-N 2 0 239.407 1.354 20 0 BDADRP Cc1cnccc1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC000705340080 957136260 /nfs/dbraw/zinc/13/62/60/957136260.db2.gz AZDDQKBFJRVUHZ-ZDUSSCGKSA-N 2 0 219.332 1.703 20 0 BDADRP CCC1([NH2+][C@H]2CCC[C@]3(CC[NH2+]C3)C2)CNC1 ZINC001246238949 972244401 /nfs/dbraw/zinc/24/44/01/972244401.db2.gz WYOWPOVWYAZJJJ-STQMWFEESA-N 2 0 237.391 1.250 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C1CCCC1 ZINC001246242498 972246855 /nfs/dbraw/zinc/24/68/55/972246855.db2.gz IYDRMROWASUTGX-WCQYABFASA-N 2 0 237.391 1.249 20 0 BDADRP C[NH2+]CC[C@@H](C)NCC[C@H]1CCCC[NH2+]1 ZINC001246243364 972249983 /nfs/dbraw/zinc/24/99/83/972249983.db2.gz IAHBIIZGOFBDTO-VXGBXAGGSA-N 2 0 213.369 1.106 20 0 BDADRP C[C@H]1C[C@@H]([NH2+][C@H](CO)C2CCCCC2)CC[NH2+]1 ZINC001246265641 972251090 /nfs/dbraw/zinc/25/10/90/972251090.db2.gz NBMNGLLRURIZOK-FPMFFAJLSA-N 2 0 240.391 1.658 20 0 BDADRP C[NH2+]CC[C@H](C)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001246277439 972253743 /nfs/dbraw/zinc/25/37/43/972253743.db2.gz JEHQGEAHYMMWCV-WFASDCNBSA-N 2 0 247.386 1.289 20 0 BDADRP CC[C@@H]1CC(N[C@H]2CCC[C@@H]2[NH3+])C[C@@H](CC)[NH2+]1 ZINC001246310109 972271536 /nfs/dbraw/zinc/27/15/36/972271536.db2.gz MQIIKAYRXCSHRA-RFHZTLPTSA-N 2 0 239.407 1.765 20 0 BDADRP [NH3+]CCCCCCCC(=O)N[C@@H]1CCC[NH2+]C1 ZINC001220884426 972271745 /nfs/dbraw/zinc/27/17/45/972271745.db2.gz BSMQTVWVHPUHKL-GFCCVEGCSA-N 2 0 241.379 1.154 20 0 BDADRP C[C@@H]1C[C@@H](N[C@H]2C[NH2+]CCC2(C)C)C[C@H](C)[NH2+]1 ZINC001246324407 972285036 /nfs/dbraw/zinc/28/50/36/972285036.db2.gz DZJMOBGSOIBBEY-RNJOBUHISA-N 2 0 239.407 1.493 20 0 BDADRP C[C@@H]1CC[C@@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[NH2+]1 ZINC001246331196 972293273 /nfs/dbraw/zinc/29/32/73/972293273.db2.gz JANLFPPSTIXRTD-RGDJUOJXSA-N 2 0 237.391 1.390 20 0 BDADRP c1ccc2c(c1)CCC([NH2+][C@@H]1CC13C[NH2+]C3)CC2 ZINC001246442997 972315007 /nfs/dbraw/zinc/31/50/07/972315007.db2.gz FNNDVTCDFROFDR-OAHLLOKOSA-N 2 0 242.366 1.886 20 0 BDADRP CCC[C@@]1(CN[C@H]2CC[NH2+]C(C)(C)C2)CC[NH2+]1 ZINC001246454654 972323556 /nfs/dbraw/zinc/32/35/56/972323556.db2.gz FXASTCQMGVOXER-JSGCOSHPSA-N 2 0 239.407 1.639 20 0 BDADRP CCCCC[N@H+](C)CCC(=O)NCCCC[NH3+] ZINC001221347538 972325510 /nfs/dbraw/zinc/32/55/10/972325510.db2.gz ONAMZJZDCHVBTA-UHFFFAOYSA-N 2 0 243.395 1.354 20 0 BDADRP C1[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@]12CCCOC2 ZINC001246466482 972341495 /nfs/dbraw/zinc/34/14/95/972341495.db2.gz QSJAYYBKOIMLOX-PJIALRRASA-N 2 0 236.359 1.428 20 0 BDADRP CCC1(O)CC[NH+]([C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000707223269 958413545 /nfs/dbraw/zinc/41/35/45/958413545.db2.gz YNVWFVDEPSNCQG-NEPJUHHUSA-N 2 0 226.364 1.364 20 0 BDADRP F[C@H]1C[NH2+]CC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001246476018 972347932 /nfs/dbraw/zinc/34/79/32/972347932.db2.gz JOSKNQPNEHVSSU-ZZIFITQXSA-N 2 0 242.338 1.234 20 0 BDADRP C[C@H]1CC[C@H](NCCc2ccncc2)C[NH2+]1 ZINC000398972180 958468855 /nfs/dbraw/zinc/46/88/55/958468855.db2.gz WZJANCXGHXZWFA-AAEUAGOBSA-N 2 0 219.332 1.354 20 0 BDADRP CCC(CC)[NH2+]C[C@@H]1CC[NH2+]C[C@@H]1F ZINC001246475947 972350430 /nfs/dbraw/zinc/35/04/30/972350430.db2.gz HJJBRIBDEYENKP-ONGXEEELSA-N 2 0 202.317 1.712 20 0 BDADRP CSCC[C@H](C)[NH2+]C[C@@H]1CC[NH2+]C[C@@H]1F ZINC001246478776 972350506 /nfs/dbraw/zinc/35/05/06/972350506.db2.gz YPSCOBZEEUAIOD-DCAQKATOSA-N 2 0 234.384 1.665 20 0 BDADRP CC[NH+](CC)CCCN[C@H]1CC[C@H](C)[NH2+]C1 ZINC000399017243 958481359 /nfs/dbraw/zinc/48/13/59/958481359.db2.gz CTNAOCYZBVYJIN-STQMWFEESA-N 2 0 227.396 1.448 20 0 BDADRP CC(C)[NH+](CCN[C@@H]1CC[C@@H](C)[NH2+]C1)C(C)C ZINC000399020175 958485114 /nfs/dbraw/zinc/48/51/14/958485114.db2.gz DUXCGTVSYLMRRZ-ZIAGYGMSSA-N 2 0 241.423 1.835 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H]2C(C)(C)O)CC[NH2+]1 ZINC000707564111 958588264 /nfs/dbraw/zinc/58/82/64/958588264.db2.gz KIWREYDVEYAZHL-GRYCIOLGSA-N 2 0 226.364 1.362 20 0 BDADRP CC1([NH3+])CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000707672956 958656909 /nfs/dbraw/zinc/65/69/09/958656909.db2.gz JAMTYUUFJYREFF-UHFFFAOYSA-N 2 0 230.355 1.967 20 0 BDADRP CC(C)(C)[C@@H]1C[C@H](N2CC[NH2+]CC2)CC[NH2+]1 ZINC001246522503 972377755 /nfs/dbraw/zinc/37/77/55/972377755.db2.gz AAVFLGSRITZHPE-NEPJUHHUSA-N 2 0 225.380 1.058 20 0 BDADRP C[N@@H+](Cc1cccs1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693558270 958796515 /nfs/dbraw/zinc/79/65/15/958796515.db2.gz XLVHDGYJWUOUTH-AOOOYVTPSA-N 2 0 210.346 1.917 20 0 BDADRP Cc1csc(C[NH2+]C[C@H]2C[C@@H]([NH3+])C2)n1 ZINC000693562858 958810400 /nfs/dbraw/zinc/81/04/00/958810400.db2.gz RCVCWKIMRKAGBT-DTORHVGOSA-N 2 0 211.334 1.278 20 0 BDADRP CSCC[C@@H](C)[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693563786 958815135 /nfs/dbraw/zinc/81/51/35/958815135.db2.gz WXKHRQWHSIEKSO-MXWKQRLJSA-N 2 0 216.394 1.797 20 0 BDADRP C[N@H+](CCc1cccs1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693591679 958899990 /nfs/dbraw/zinc/89/99/90/958899990.db2.gz JGTPODYGXLGYCC-PHIMTYICSA-N 2 0 224.373 1.960 20 0 BDADRP C(CN1CC[C@]12CCC[NH2+]C2)[C@@H]1CCCC[NH2+]1 ZINC001222190680 972399252 /nfs/dbraw/zinc/39/92/52/972399252.db2.gz DYRIXKMHXPYXND-KBPBESRZSA-N 2 0 237.391 1.347 20 0 BDADRP C[C@@H]1CCC[N@H+](C[C@@H]2CCCOC2)[C@@H]1CC[NH3+] ZINC000404412729 959251578 /nfs/dbraw/zinc/25/15/78/959251578.db2.gz DTONKUZPQQVSSN-HZSPNIEDSA-N 2 0 240.391 1.862 20 0 BDADRP OCCCCC[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222231128 972416866 /nfs/dbraw/zinc/41/68/66/972416866.db2.gz JOLNQSNCFPICHI-CYBMUJFWSA-N 2 0 226.364 1.367 20 0 BDADRP CSCC[C@H](C)[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001246529483 972417309 /nfs/dbraw/zinc/41/73/09/972417309.db2.gz KMQBXEHAFRRZTC-VHSXEESVSA-N 2 0 202.367 1.551 20 0 BDADRP C[C@]1([NH3+])CC[N@@H+](C2CCC3(COC3)CC2)C1 ZINC001246529807 972418207 /nfs/dbraw/zinc/41/82/07/972418207.db2.gz LVVUQMJQDFISLV-LBPRGKRZSA-N 2 0 224.348 1.369 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCC1SCCS1 ZINC000693810810 959396177 /nfs/dbraw/zinc/39/61/77/959396177.db2.gz QGJMJSNIONMYJG-RKDXNWHRSA-N 2 0 246.445 1.898 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2ccccn2)C12CCC2 ZINC000405275610 959431797 /nfs/dbraw/zinc/43/17/97/959431797.db2.gz WWMKKTGMMKVSIF-OLZOCXBDSA-N 2 0 231.343 1.484 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H](CO)C2CCCC2)C12CCC2 ZINC000405496699 959452508 /nfs/dbraw/zinc/45/25/08/959452508.db2.gz QBLJHPPPZDJIAJ-XQQFMLRXSA-N 2 0 238.375 1.397 20 0 BDADRP COc1ccc([C@H]([NH3+])CCOC2C[NH2+]C2)cc1 ZINC001217790498 959603393 /nfs/dbraw/zinc/60/33/93/959603393.db2.gz NBOWUEIPIORNBB-CYBMUJFWSA-N 2 0 236.315 1.074 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCc3cnccc3C2)CC1 ZINC001207391272 959625332 /nfs/dbraw/zinc/62/53/32/959625332.db2.gz AKMMKAHGSIHXEG-UHFFFAOYSA-N 2 0 245.370 1.782 20 0 BDADRP C(CN1CCC[C@]2(CCCC[NH2+]2)C1)C1C[NH2+]C1 ZINC001222385736 972450942 /nfs/dbraw/zinc/45/09/42/972450942.db2.gz VFMLHXAIQLVTBV-CQSZACIVSA-N 3 0 237.391 1.204 20 0 BDADRP [NH3+]Cc1ccccc1CO[C@@H]1[C@@H]2CC[C@H]1[NH2+]C2 ZINC001217924683 959773275 /nfs/dbraw/zinc/77/32/75/959773275.db2.gz KTZIMZSBLCCMEV-MRVWCRGKSA-N 2 0 232.327 1.412 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1Oc1cccc(C[NH3+])c1 ZINC001218031856 959839159 /nfs/dbraw/zinc/83/91/59/959839159.db2.gz UEMMBXSUUYTEQK-FZMZJTMJSA-N 2 0 234.343 1.912 20 0 BDADRP [NH3+]Cc1nn(-c2cc[nH+]cc2)c2ccccc12 ZINC001167693486 959856860 /nfs/dbraw/zinc/85/68/60/959856860.db2.gz PVEGZNLDIAGYND-UHFFFAOYSA-N 2 0 224.267 1.879 20 0 BDADRP [NH3+]Cc1ccc(O[C@H]2C[NH2+]CCC23CC3)cc1 ZINC001218402569 960064445 /nfs/dbraw/zinc/06/44/45/960064445.db2.gz HJGIVONOTTWWAX-ZDUSSCGKSA-N 2 0 232.327 1.666 20 0 BDADRP c1cc([C@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)ccn1 ZINC001207437693 960092467 /nfs/dbraw/zinc/09/24/67/960092467.db2.gz OWULKUBEORTWAO-HNNXBMFYSA-N 2 0 245.370 1.871 20 0 BDADRP c1cnc([C@H]2CCC[N@H+]2CC2CC[NH2+]CC2)cn1 ZINC001207437268 960092974 /nfs/dbraw/zinc/09/29/74/960092974.db2.gz GPZAEYWTHFCKGQ-CQSZACIVSA-N 2 0 246.358 1.613 20 0 BDADRP C[NH2+]CCNc1cnccc1/C=C/[NH+](C)C ZINC001167726356 960246380 /nfs/dbraw/zinc/24/63/80/960246380.db2.gz CZCFVAWUFSBSMB-WEVVVXLNSA-N 2 0 220.320 1.245 20 0 BDADRP Cc1nc(C)c(C[N@@H+]2CC[C@@H](CC[NH3+])C2)s1 ZINC000692536121 960274468 /nfs/dbraw/zinc/27/44/68/960274468.db2.gz NNXIRXPGCDPOEB-LLVKDONJSA-N 2 0 239.388 1.931 20 0 BDADRP [NH3+][C@H](CN1CC[C@]2(CCC[NH2+]2)C1)c1ccccc1 ZINC001222465488 972498184 /nfs/dbraw/zinc/49/81/84/972498184.db2.gz SHFIEINCHGTLAC-HUUCEWRRSA-N 2 0 245.370 1.514 20 0 BDADRP C[C@@H]1CC[C@H](O)C[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709280100 960467916 /nfs/dbraw/zinc/46/79/16/960467916.db2.gz FAQVOHFPDQFLJW-VKYHIEHISA-N 2 0 224.348 1.115 20 0 BDADRP C[C@H]1CC[C@@H](C[NH3+])N1[C@H]1CC2CC[NH+](CC2)C1 ZINC001246537640 972510748 /nfs/dbraw/zinc/51/07/48/972510748.db2.gz JDCUQHODPSEMTQ-UBHSHLNASA-N 2 0 237.391 1.282 20 0 BDADRP CC(C)(C)CC[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222491958 972519274 /nfs/dbraw/zinc/51/92/74/972519274.db2.gz LEXUJVJLGVKBNZ-STQMWFEESA-N 2 0 239.407 1.448 20 0 BDADRP OC[C@H]1CCCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709474353 960620466 /nfs/dbraw/zinc/62/04/66/960620466.db2.gz HYBLMCVMBWRIBH-DAAZQVBGSA-N 2 0 224.348 1.116 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709487804 960621577 /nfs/dbraw/zinc/62/15/77/960621577.db2.gz CNGKADBKLQUOKH-MWWBDVBNSA-N 2 0 237.391 1.199 20 0 BDADRP C[NH+](C)CC(C)(C)CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709504225 960628345 /nfs/dbraw/zinc/62/83/45/960628345.db2.gz PWDDLFKDIGWBLC-FUNVUKJBSA-N 2 0 239.407 1.447 20 0 BDADRP O[C@H]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000709502251 960628432 /nfs/dbraw/zinc/62/84/32/960628432.db2.gz JWSXSQCEMXOXNJ-YIPFDTCYSA-N 2 0 238.375 1.410 20 0 BDADRP CC[NH+](CC)C[C@H](C)OC1CC[NH+](C)CC1 ZINC001222498609 960661711 /nfs/dbraw/zinc/66/17/11/960661711.db2.gz PJGZZCDBYXMCQY-LBPRGKRZSA-N 2 0 228.380 1.828 20 0 BDADRP [NH3+][C@@H]1C[C@H]2COC[C@@H](C1)[C@@H]2[NH2+]CC1CC=CC1 ZINC000925721765 960795560 /nfs/dbraw/zinc/79/55/60/960795560.db2.gz FTARLZQNGRMHHV-COVPZLACSA-N 2 0 236.359 1.295 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CO2 ZINC001167826051 961158470 /nfs/dbraw/zinc/15/84/70/961158470.db2.gz MCSVAVKCHBKZBE-RDBSUJKOSA-N 2 0 240.391 1.970 20 0 BDADRP [NH2+]=CNc1ccc([C@]23CC[NH2+][C@H]2COCC3)cc1 ZINC001167864865 961332211 /nfs/dbraw/zinc/33/22/11/961332211.db2.gz KBMSEENEYDFNLY-UONOGXRCSA-N 2 0 245.326 1.726 20 0 BDADRP [NH2+]=C(NCCCC[NH3+])Nc1cc2cc[nH]c2cn1 ZINC001167878712 961442408 /nfs/dbraw/zinc/44/24/08/961442408.db2.gz CGCBUZDCVQONHE-UHFFFAOYSA-N 2 0 246.318 1.238 20 0 BDADRP CC[C@]1(O)CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000893719224 961723203 /nfs/dbraw/zinc/72/32/03/961723203.db2.gz JQTGVOSLFYXLAD-ZDUSSCGKSA-N 2 0 226.364 1.175 20 0 BDADRP Nc1cccc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)n1 ZINC001206632117 962122619 /nfs/dbraw/zinc/12/26/19/962122619.db2.gz GGRXSCPVAYCMNI-NSHDSACASA-N 2 0 234.347 1.225 20 0 BDADRP CC(C)[NH2+]C[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001482138548 962164609 /nfs/dbraw/zinc/16/46/09/962164609.db2.gz XFJBMZCAZWZRSX-LBPRGKRZSA-N 2 0 243.395 1.079 20 0 BDADRP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3C[C@H]4C[C@H]4C3)C[C@@H]2C1 ZINC001167953674 962741433 /nfs/dbraw/zinc/74/14/33/962741433.db2.gz VILVWHMMAOZMKT-FOPUMGAHSA-N 2 0 206.333 1.278 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1COC[C@H]1C ZINC000688050061 962845389 /nfs/dbraw/zinc/84/53/89/962845389.db2.gz SHDOLNRCAHHIEQ-VXGBXAGGSA-N 2 0 214.353 1.341 20 0 BDADRP Nc1cc[nH+]c(-n2cncc2C2CC[NH2+]CC2)c1 ZINC001155052357 962953054 /nfs/dbraw/zinc/95/30/54/962953054.db2.gz BDBMIMCYSNTDEO-UHFFFAOYSA-N 2 0 243.314 1.317 20 0 BDADRP C[C@]1([NH3+])CC[N@@H+]([C@H]2CCCC3(C2)OCCO3)C1 ZINC000712818208 962985076 /nfs/dbraw/zinc/98/50/76/962985076.db2.gz RDVKWGSQOMPYNJ-RYUDHWBXSA-N 2 0 240.347 1.095 20 0 BDADRP COC[C@H]1CCC[N@@H+]1CCC[NH2+]C1CC1 ZINC000696498783 963155421 /nfs/dbraw/zinc/15/54/21/963155421.db2.gz WXCLNTUGKPMYHD-GFCCVEGCSA-N 2 0 212.337 1.239 20 0 BDADRP Cc1c[nH+]c(N(C)C2CC[NH2+]CC2)cc1N ZINC001156175321 963273674 /nfs/dbraw/zinc/27/36/74/963273674.db2.gz BKCYTYSSIIOLJZ-UHFFFAOYSA-N 2 0 220.320 1.160 20 0 BDADRP Nc1cc[nH+]c(-n2ccc3cc(C[NH3+])cnc32)c1 ZINC001156594323 963400614 /nfs/dbraw/zinc/40/06/14/963400614.db2.gz ZRGSRQZHIVAUQJ-UHFFFAOYSA-N 2 0 239.282 1.461 20 0 BDADRP Cc1c[nH+]c(N2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)cc1N ZINC001157272122 963568137 /nfs/dbraw/zinc/56/81/37/963568137.db2.gz LAMFQBBSMDDHFZ-DGCLKSJQSA-N 2 0 246.358 1.503 20 0 BDADRP C[C@H]1[C@H]([NH3+])CCCN1c1[nH+]ccc2c1ccn2C ZINC001157731275 963709854 /nfs/dbraw/zinc/70/98/54/963709854.db2.gz ASNLWIFUIYPYBD-CMPLNLGQSA-N 2 0 244.342 1.889 20 0 BDADRP C[C@H]1C[C@H]([N@H+](C)CCC[NH+](C)C)CCO1 ZINC001168107866 963740990 /nfs/dbraw/zinc/74/09/90/963740990.db2.gz YWMBPLQWIAQGAE-NWDGAFQWSA-N 2 0 214.353 1.437 20 0 BDADRP C[C@H]1C[C@@H]([NH+]2CC3(C2)CC[NH+](C)CC3)CCO1 ZINC001168134928 963827562 /nfs/dbraw/zinc/82/75/62/963827562.db2.gz DPJBRSCCCFLCMW-STQMWFEESA-N 2 0 238.375 1.582 20 0 BDADRP C[C@H]1C[C@H]([NH+]2CCC3(C[NH+](C)C3)CC2)CCO1 ZINC001168135922 963831016 /nfs/dbraw/zinc/83/10/16/963831016.db2.gz HYKLVLUXKRKXJD-QWHCGFSZSA-N 2 0 238.375 1.582 20 0 BDADRP CC[N@H+]1C[C@@H]2C[NH+]([C@@H]3CCO[C@H](C)C3)C[C@@H]2C1 ZINC001168147056 963864639 /nfs/dbraw/zinc/86/46/39/963864639.db2.gz YSRBUTJJMJSDBO-YIYPIFLZSA-N 2 0 238.375 1.437 20 0 BDADRP C[C@]1(C[NH3+])CCCN(c2cccc(N)[nH+]2)C1 ZINC001158674890 963900028 /nfs/dbraw/zinc/90/00/28/963900028.db2.gz DNIMOMJBTIMXSW-GFCCVEGCSA-N 2 0 220.320 1.229 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC2(C)CC[NH2+]CC2)cn1 ZINC001168188774 963949708 /nfs/dbraw/zinc/94/97/08/963949708.db2.gz AAPAUHCRZXSYKW-JTQLQIEISA-N 2 0 234.347 1.655 20 0 BDADRP CN(C)c1cccc(N2CCC3(C[NH2+]C3)CC2)[nH+]1 ZINC001159039883 963981463 /nfs/dbraw/zinc/98/14/63/963981463.db2.gz RVBGIEMMDRXBPC-UHFFFAOYSA-N 2 0 246.358 1.337 20 0 BDADRP C[C@H]([NH3+])c1ccc(N[C@H]2C[NH2+]CC[C@H]2F)cc1 ZINC001168226329 964006040 /nfs/dbraw/zinc/00/60/40/964006040.db2.gz DHWABNKFYBEIDP-BIMULSAOSA-N 2 0 237.322 1.818 20 0 BDADRP C[NH+]1CC(CNc2cc(-n3ccnc3)cc[nH+]2)C1 ZINC001159222496 964022764 /nfs/dbraw/zinc/02/27/64/964022764.db2.gz OQKCJRARYLBUKB-UHFFFAOYSA-N 2 0 243.314 1.241 20 0 BDADRP Cc1c[nH+]c(N[C@H](C)[C@H]2C[NH2+]CCO2)c(C)c1 ZINC001159494908 964112230 /nfs/dbraw/zinc/11/22/30/964112230.db2.gz BBSDWQRTUJGVSL-VXGBXAGGSA-N 2 0 235.331 1.487 20 0 BDADRP Cc1cc(C)[nH+]c(N[C@@H](C)[C@H]2C[NH2+]CCO2)c1 ZINC001159489118 964112523 /nfs/dbraw/zinc/11/25/23/964112523.db2.gz JRUSPLZSYIJIPM-NWDGAFQWSA-N 2 0 235.331 1.487 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1cc(Cl)cc(Cl)n1 ZINC001159779699 964184497 /nfs/dbraw/zinc/18/44/97/964184497.db2.gz IGUSZTZWWYHRQK-MRVPVSSYSA-N 2 0 249.145 1.824 20 0 BDADRP C[C@@H]([NH3+])CCNc1cc(N2CCCC2)cc[nH+]1 ZINC001159773056 964187861 /nfs/dbraw/zinc/18/78/61/964187861.db2.gz SUGSCYYHPHXWQC-LLVKDONJSA-N 2 0 234.347 1.831 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1cc2ccc(F)cc2cn1 ZINC001159789300 964198844 /nfs/dbraw/zinc/19/88/44/964198844.db2.gz RTXLTVVPDRVCHH-GFCCVEGCSA-N 2 0 248.305 1.810 20 0 BDADRP [NH3+][C@@H]1Cc2ccc(NC=C3CC[NH2+]CC3)cc2C1 ZINC001159827755 964208109 /nfs/dbraw/zinc/20/81/09/964208109.db2.gz USYQZOFFQJABIL-CQSZACIVSA-N 2 0 243.354 1.792 20 0 BDADRP CC[NH2+]CC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001482890092 964232517 /nfs/dbraw/zinc/23/25/17/964232517.db2.gz VNGFDYSQASZZFZ-NEPJUHHUSA-N 2 0 243.395 1.077 20 0 BDADRP CC(C)[NH+]1CC(Nc2ccc(C[NH+](C)C)cn2)C1 ZINC001168312546 964414512 /nfs/dbraw/zinc/41/45/12/964414512.db2.gz AEDMVXIDDOIDBL-UHFFFAOYSA-N 2 0 248.374 1.648 20 0 BDADRP C[C@H]1CC[C@@H](CO)[N@@H+]1C1CCC([NH+](C)C)CC1 ZINC001168315085 964428289 /nfs/dbraw/zinc/42/82/89/964428289.db2.gz RGDYUOFCFGNBGA-ABXWRUBCSA-N 2 0 240.391 1.704 20 0 BDADRP C[NH+](C)C1CCC([N@H+](C)CC2COC2)CC1 ZINC001168326542 964454673 /nfs/dbraw/zinc/45/46/73/964454673.db2.gz ARKUSTBJXKUFCP-UHFFFAOYSA-N 2 0 226.364 1.437 20 0 BDADRP CC[NH+]1CCC(CNC2=[NH+]CCCCN2)CC1 ZINC000697669573 964493418 /nfs/dbraw/zinc/49/34/18/964493418.db2.gz HWIGPEZEMQDKHS-UHFFFAOYSA-N 2 0 238.379 1.047 20 0 BDADRP COCC[C@@H](C)[NH2+]CC[C@H](C)[NH+](C)C ZINC000697870290 964596420 /nfs/dbraw/zinc/59/64/20/964596420.db2.gz KNOSDDLXFRFYTQ-MNOVXSKESA-N 2 0 202.342 1.341 20 0 BDADRP C[C@H](CCN[C@H]1CC[N@H+](C)[C@H](C)C1)[NH+](C)C ZINC000697909267 964676314 /nfs/dbraw/zinc/67/63/14/964676314.db2.gz OPBZYSCCGWPZIU-UPJWGTAASA-N 2 0 227.396 1.399 20 0 BDADRP C[C@H]([NH3+])c1ccc(NCC[NH+](C)C)cn1 ZINC001161672755 964676372 /nfs/dbraw/zinc/67/63/72/964676372.db2.gz FXUYUZJMAHPVRQ-VIFPVBQESA-N 2 0 208.309 1.075 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](Cc2cccc(O)c2)C1 ZINC000160072715 964790946 /nfs/dbraw/zinc/79/09/46/964790946.db2.gz OWWNIOOTTFONQO-NSHDSACASA-N 2 0 220.316 1.563 20 0 BDADRP CCC[NH+]1CCC([NH2+]CC2CSC2)CC1 ZINC000698002113 964861099 /nfs/dbraw/zinc/86/10/99/964861099.db2.gz JXEPIIDJPDMMAV-UHFFFAOYSA-N 2 0 228.405 1.813 20 0 BDADRP C[C@@H](CNC(=O)CCCCC[NH3+])[NH+]1CCCC1 ZINC000161050766 964868719 /nfs/dbraw/zinc/86/87/19/964868719.db2.gz BTHJMBDZKSNCAS-LBPRGKRZSA-N 2 0 241.379 1.106 20 0 BDADRP [NH3+]Cc1cn(-c2c[nH+]cc3cc[nH]c32)cn1 ZINC001162302377 964916806 /nfs/dbraw/zinc/91/68/06/964916806.db2.gz PSVKQINEFHSFQF-UHFFFAOYSA-N 2 0 213.244 1.207 20 0 BDADRP Cc1cnc(N[C@@]2(C)CCC[N@@H+](C)C2)c(C[NH3+])c1 ZINC001162336513 964937653 /nfs/dbraw/zinc/93/76/53/964937653.db2.gz BVABRKUWCVCBHT-AWEZNQCLSA-N 2 0 248.374 1.745 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H](Nc2[nH+]ccc3c2CCN3)C1 ZINC001162392052 964952945 /nfs/dbraw/zinc/95/29/45/964952945.db2.gz PGVXLIILRIXTEJ-NXEZZACHSA-N 2 0 232.331 1.731 20 0 BDADRP [NH3+][C@H]1CCC[C@H](Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC001162394818 964955424 /nfs/dbraw/zinc/95/54/24/964955424.db2.gz AIMCQZHXJZZEMZ-STQMWFEESA-N 2 0 231.343 1.972 20 0 BDADRP C[NH+](C)Cc1ccc(N[C@H]2CCC[C@@H]([NH3+])C2)nc1 ZINC001162395596 964956328 /nfs/dbraw/zinc/95/63/28/964956328.db2.gz VJLGIZFKYDOBMZ-OLZOCXBDSA-N 2 0 248.374 1.825 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H](Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC001162394814 964956870 /nfs/dbraw/zinc/95/68/70/964956870.db2.gz AIMCQZHXJZZEMZ-CHWSQXEVSA-N 2 0 231.343 1.972 20 0 BDADRP CN(C)c1ccc(N[C@@H]2CCC[C@@H]([NH3+])C2)nc1 ZINC001162402280 964960284 /nfs/dbraw/zinc/96/02/84/964960284.db2.gz QBOLCSAPHKKOMG-GHMZBOCLSA-N 2 0 234.347 1.829 20 0 BDADRP C[n+]1cccc(N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC001162403489 964963430 /nfs/dbraw/zinc/96/34/30/964963430.db2.gz DNSHZNGACJPOJB-GHMZBOCLSA-N 2 0 206.313 1.193 20 0 BDADRP [NH3+]Cc1cc(Nc2ccc(C[NH3+])c(F)c2)ncn1 ZINC001162522969 965023557 /nfs/dbraw/zinc/02/35/57/965023557.db2.gz ZAOYCJHYMSRLPN-UHFFFAOYSA-N 2 0 247.277 1.277 20 0 BDADRP Cc1ccc(NC[C@H]2C[NH2+][C@H](C)C2)[nH+]c1N ZINC001162552719 965045326 /nfs/dbraw/zinc/04/53/26/965045326.db2.gz PHYBAWDCYINLQS-NXEZZACHSA-N 2 0 220.320 1.382 20 0 BDADRP CC(C)(F)CC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000698240170 965124887 /nfs/dbraw/zinc/12/48/87/965124887.db2.gz YXNQKMAUTSGNFN-UWVGGRQHSA-N 2 0 214.328 1.984 20 0 BDADRP c1cc2c[nH+]c(N[C@H]3C=C[C@@H]4C[NH2+]C[C@@H]43)cc2[nH]1 ZINC001162789845 965175748 /nfs/dbraw/zinc/17/57/48/965175748.db2.gz MSVMNGNISVCNNU-USWWRNFRSA-N 2 0 240.310 1.749 20 0 BDADRP [NH3+][C@H]1COC[C@H]1Nc1ccc(C2([NH3+])CCC2)cc1 ZINC001162924892 965209152 /nfs/dbraw/zinc/20/91/52/965209152.db2.gz HRRHUJUXHDNCDS-QWHCGFSZSA-N 2 0 247.342 1.163 20 0 BDADRP C[C@@H]([NH2+][C@H](C)C1CCOCC1)C1CC[NH2+]CC1 ZINC000400344188 965451587 /nfs/dbraw/zinc/45/15/87/965451587.db2.gz HQTVRPSDNVVIBG-VXGBXAGGSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@](C)(C(F)F)O1 ZINC000698774729 965496554 /nfs/dbraw/zinc/49/65/54/965496554.db2.gz MLTLMTXRILUAKD-MWGHHZFTSA-N 2 0 248.317 1.468 20 0 BDADRP C[NH2+]C1CN(c2ccc(C[NH+]3CCCC3)cn2)C1 ZINC001163706835 965523067 /nfs/dbraw/zinc/52/30/67/965523067.db2.gz LBVVVJJJPRABRO-UHFFFAOYSA-N 2 0 246.358 1.085 20 0 BDADRP C[NH2+]C1CN(c2[nH+]c(C)cc3[nH]ccc32)C1 ZINC001163706897 965523804 /nfs/dbraw/zinc/52/38/04/965523804.db2.gz MOWTWPYGRAUXPI-UHFFFAOYSA-N 2 0 216.288 1.279 20 0 BDADRP C[NH2+]CCN(C)c1ncccc1C[NH+]1CCCC1 ZINC001163722396 965535253 /nfs/dbraw/zinc/53/52/53/965535253.db2.gz LHFCQVJOOOIKMA-UHFFFAOYSA-N 2 0 248.374 1.333 20 0 BDADRP OCCCCC[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC000714958997 965558615 /nfs/dbraw/zinc/55/86/15/965558615.db2.gz CMEQAAFYNSBWRV-QWHCGFSZSA-N 2 0 226.364 1.223 20 0 BDADRP C[C@H](C[NH+](C)C)Nc1ccc([C@H]2CCC[NH2+]2)cn1 ZINC001163770178 965573049 /nfs/dbraw/zinc/57/30/49/965573049.db2.gz GZTYLDIEWRTLMT-DGCLKSJQSA-N 2 0 248.374 1.868 20 0 BDADRP CCCOCC[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC000714986483 965577223 /nfs/dbraw/zinc/57/72/23/965577223.db2.gz PRBVHMVLIKFBBK-LBPRGKRZSA-N 2 0 214.353 1.487 20 0 BDADRP Cc1cc(C[NH3+])nn1-c1ccc([C@H](C)[NH3+])nc1 ZINC001163988980 965684807 /nfs/dbraw/zinc/68/48/07/965684807.db2.gz YMFOQBSWGIHMTA-VIFPVBQESA-N 2 0 231.303 1.054 20 0 BDADRP CC(C)[C@H](CCO)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715196903 965820922 /nfs/dbraw/zinc/82/09/22/965820922.db2.gz AAYFPCVROKCTGI-RUXDESIVSA-N 2 0 242.407 1.856 20 0 BDADRP C[C@@H]1COCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000699263126 965826681 /nfs/dbraw/zinc/82/66/81/965826681.db2.gz HQQZEZFJEQJPCG-FUDCBSFHSA-N 2 0 238.375 1.485 20 0 BDADRP [NH3+][C@H]1CCC[N@H+](Cc2c[nH]c3cccnc23)CC1 ZINC001205110098 965836210 /nfs/dbraw/zinc/83/62/10/965836210.db2.gz OOUZOJNSQBYQDN-LBPRGKRZSA-N 2 0 244.342 1.876 20 0 BDADRP C[N@H+](CCCCCC[NH3+])Cc1cnccn1 ZINC000699372184 965854116 /nfs/dbraw/zinc/85/41/16/965854116.db2.gz DHEYABCTEXUCHM-UHFFFAOYSA-N 2 0 222.336 1.428 20 0 BDADRP CC(C)([NH3+])c1ccccc1NOCC[NH3+] ZINC001164435702 965881896 /nfs/dbraw/zinc/88/18/96/965881896.db2.gz MQLAYGVZAUOMPH-UHFFFAOYSA-N 2 0 209.293 1.183 20 0 BDADRP [NH3+][C@@H]1CCC[N@H+](Cc2cccc3c2OCC3)CC1 ZINC001205124481 965890406 /nfs/dbraw/zinc/89/04/06/965890406.db2.gz SETOVNPWDKEORP-CQSZACIVSA-N 2 0 246.354 1.935 20 0 BDADRP CC[C@@H]1COC[C@H]1[NH2+]CC1CC[NH+](CC)CC1 ZINC000699547121 965966868 /nfs/dbraw/zinc/96/68/68/965966868.db2.gz ZAFGXPUTULYSPQ-ZIAGYGMSSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1CC(CN2CC[C@@H]3[NH2+]CC[C@H]32)C[C@@H](C)O1 ZINC001235039699 965988618 /nfs/dbraw/zinc/98/86/18/965988618.db2.gz XMPUGZMZCVSXPY-MHDGFBEUSA-N 2 0 238.375 1.626 20 0 BDADRP c1ccc2c(c1)CC(CN1CC[C@@H]3[NH2+]CC[C@H]31)C2 ZINC001235039585 965992287 /nfs/dbraw/zinc/99/22/87/965992287.db2.gz VVPHEJCOXPARLU-JKSUJKDBSA-N 2 0 242.366 1.838 20 0 BDADRP Cc1c[nH+]c(N2CCC3(CC([NH3+])C3)CC2)c(N)c1 ZINC001165242901 966003152 /nfs/dbraw/zinc/00/31/52/966003152.db2.gz DBSZTKARHJZHLL-UHFFFAOYSA-N 2 0 246.358 1.680 20 0 BDADRP [NH3+][C@@]12C[C@@H]1CCN(CC1CC3(C1)CC[NH2+]CC3)C2 ZINC001235164503 966016057 /nfs/dbraw/zinc/01/60/57/966016057.db2.gz ACLXLQWTQSXLFJ-DZGCQCFKSA-N 2 0 249.402 1.189 20 0 BDADRP CN(Cc1ccc2c(c1)C[NH2+]C2)[C@H]1CCC[NH2+]C1 ZINC001235346553 966042485 /nfs/dbraw/zinc/04/24/85/966042485.db2.gz HXKZCTQFCAXQJC-HNNXBMFYSA-N 2 0 245.370 1.474 20 0 BDADRP CN(Cc1cccc(C[NH3+])c1)[C@@H]1CCC[NH2+]C1 ZINC001235347512 966044699 /nfs/dbraw/zinc/04/46/99/966044699.db2.gz PHHJKQBNAGPNFR-CQSZACIVSA-N 2 0 233.359 1.329 20 0 BDADRP CN(CC1(C)CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC001235341535 966046441 /nfs/dbraw/zinc/04/64/41/966046441.db2.gz BCMVTBOUQMXCOX-LBPRGKRZSA-N 2 0 225.380 1.060 20 0 BDADRP [NH3+][C@]12C[C@H]1CN(c1cc3[nH]ccc3c[nH+]1)C2 ZINC001165314242 966047541 /nfs/dbraw/zinc/04/75/41/966047541.db2.gz OTHBOWYMTLCFHD-CABZTGNLSA-N 2 0 214.272 1.100 20 0 BDADRP C1C[C@H]2CN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)CCC[N@@H+]2C1 ZINC000829383717 966051282 /nfs/dbraw/zinc/05/12/82/966051282.db2.gz UPFGDVNHQLNVIG-MBOZISHXSA-N 2 0 249.402 1.440 20 0 BDADRP C[C@@H]1COC[C@H]1[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000699742072 966051333 /nfs/dbraw/zinc/05/13/33/966051333.db2.gz KUNPUXJKZQZATL-JHJVBQTASA-N 2 0 226.364 1.485 20 0 BDADRP Nc1cc[nH+]c(N2CCCCC23CC[NH2+]CC3)c1 ZINC001165337848 966061248 /nfs/dbraw/zinc/06/12/48/966061248.db2.gz UUURKFYCVZDMHC-UHFFFAOYSA-N 2 0 246.358 1.776 20 0 BDADRP CC(C)c1cccc(CN(CC[NH3+])CC[NH3+])c1 ZINC001235881266 966124050 /nfs/dbraw/zinc/12/40/50/966124050.db2.gz VOFDBWKGTYGYSH-UHFFFAOYSA-N 2 0 235.375 1.529 20 0 BDADRP CC1(C[NH3+])C[NH+](CC2CC3(C2)CC[NH2+]CC3)C1 ZINC001206711146 966193370 /nfs/dbraw/zinc/19/33/70/966193370.db2.gz FUFJXVXRLASPIL-UHFFFAOYSA-N 3 0 237.391 1.047 20 0 BDADRP C[NH2+]C[C@@H]1CCN(C[C@H]([NH3+])Cc2ccccc2)C1 ZINC001236069013 966261944 /nfs/dbraw/zinc/26/19/44/966261944.db2.gz ZZPMBHXWCLIZJP-LSDHHAIUSA-N 2 0 247.386 1.098 20 0 BDADRP C[NH+](C)CC1(CN2C[C@H]3C[NH2+]C[C@H]32)CCCC1 ZINC001236283229 966330225 /nfs/dbraw/zinc/33/02/25/966330225.db2.gz IHXZHWBJXZUZOP-CHWSQXEVSA-N 2 0 237.391 1.012 20 0 BDADRP CC(C)[NH+]1CCC(CNc2c[nH+]cn2C)CC1 ZINC001166615948 966331465 /nfs/dbraw/zinc/33/14/65/966331465.db2.gz PRMNDVGLMUVEBZ-UHFFFAOYSA-N 2 0 236.363 1.952 20 0 BDADRP C[C@H]1CN(C[C@H]([NH3+])Cc2ccccc2)C[C@H](C)[NH2+]1 ZINC001236422057 966425788 /nfs/dbraw/zinc/42/57/88/966425788.db2.gz AFZWULNTDAMEBT-KCQAQPDRSA-N 2 0 247.386 1.239 20 0 BDADRP CC[NH2+]CCN(C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236584884 966470746 /nfs/dbraw/zinc/47/07/46/966470746.db2.gz YSTXKSBYWDHBAE-GFCCVEGCSA-N 2 0 225.380 1.060 20 0 BDADRP CCc1cc(C[NH+]2CCC3(C[NH+](C)C3)CC2)on1 ZINC001203229557 966569394 /nfs/dbraw/zinc/56/93/94/966569394.db2.gz YPYFNSKVZVUYGN-UHFFFAOYSA-N 2 0 249.358 1.765 20 0 BDADRP CC[C@H]([NH3+])CN(C)Cc1ccc2c(c1)C[NH2+]C2 ZINC001236883800 966600849 /nfs/dbraw/zinc/60/08/49/966600849.db2.gz GCQGFIMWYRIERG-AWEZNQCLSA-N 2 0 233.359 1.459 20 0 BDADRP C1=C2NCC[N@@H+](CC3CC[NH2+]CC3)[C@@H]2CCC1 ZINC001237220390 966648609 /nfs/dbraw/zinc/64/86/09/966648609.db2.gz QVSBHGCALOGUQR-CQSZACIVSA-N 2 0 235.375 1.328 20 0 BDADRP C[NH+]1CCC2(CC[N@H+](Cc3ccc[nH]3)C2)CC1 ZINC001204006931 966845998 /nfs/dbraw/zinc/84/59/98/966845998.db2.gz DVOORUNQQQFBOP-UHFFFAOYSA-N 2 0 233.359 1.932 20 0 BDADRP CCC(CC)C[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205211827 966854745 /nfs/dbraw/zinc/85/47/45/966854745.db2.gz WOYLISMYVHGRMD-ZDUSSCGKSA-N 2 0 228.380 1.598 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]C[C@H]3CCSC3)[C@H]2C1 ZINC001204089817 966891099 /nfs/dbraw/zinc/89/10/99/966891099.db2.gz RKENJFLURRXQGD-VOAKCMCISA-N 2 0 240.416 1.669 20 0 BDADRP COC[C@H](C)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715490049 966919984 /nfs/dbraw/zinc/91/99/84/966919984.db2.gz ILRSMXSAYNVCGM-HIFPTAJRSA-N 2 0 228.380 1.874 20 0 BDADRP COC1CC(C[NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC000715507217 966938647 /nfs/dbraw/zinc/93/86/47/966938647.db2.gz FSUGGSGAVWXHLC-UHFFFAOYSA-N 2 0 240.391 1.874 20 0 BDADRP CO[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)C1(C)C ZINC000300641619 966991415 /nfs/dbraw/zinc/99/14/15/966991415.db2.gz NOCCIGLQJAOPGM-OLZOCXBDSA-N 2 0 240.391 1.731 20 0 BDADRP Cc1c(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cnn1C ZINC001204568710 967055018 /nfs/dbraw/zinc/05/50/18/967055018.db2.gz FJZIYTPYROMXPF-OCCSQVGLSA-N 2 0 248.374 1.112 20 0 BDADRP Cc1nc[nH]c1CN1CC[N@@H+](C)CC12CCCC2 ZINC001204603558 967096864 /nfs/dbraw/zinc/09/68/64/967096864.db2.gz QCWMCCXQVCSLLG-UHFFFAOYSA-N 2 0 248.374 1.778 20 0 BDADRP C[C@H]1CC[C@H]([NH2+]C2CCC([NH+](C)C)CC2)CN1 ZINC000715557517 967158758 /nfs/dbraw/zinc/15/87/58/967158758.db2.gz JMBXTSXPNYXUMW-AHPWVWPOSA-N 2 0 239.407 1.589 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC[NH2+]1 ZINC000715560170 967159343 /nfs/dbraw/zinc/15/93/43/967159343.db2.gz YWSVDNOYVKXQOZ-SYQHCUMBSA-N 2 0 239.407 1.589 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCCC[C@@H]2O)CC1 ZINC000715578738 967188980 /nfs/dbraw/zinc/18/89/80/967188980.db2.gz GOVOETLLASZWFT-PQAZSJQKSA-N 2 0 240.391 1.752 20 0 BDADRP Nc1cccc(F)c1C[NH+]1CCC(C[NH3+])CC1 ZINC001205041284 967267144 /nfs/dbraw/zinc/26/71/44/967267144.db2.gz RVEYBZLCCJJUDO-UHFFFAOYSA-N 2 0 237.322 1.579 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2cccc3c2CCN3)CC1 ZINC001205053068 967306859 /nfs/dbraw/zinc/30/68/59/967306859.db2.gz IXRYMNNWVPMOLN-UHFFFAOYSA-N 2 0 245.370 1.825 20 0 BDADRP Cc1cc(C[NH+]2CCC(C[NH3+])CC2)cnc1C ZINC001205053093 967308646 /nfs/dbraw/zinc/30/86/46/967308646.db2.gz KQKMTNIAGVXRTM-UHFFFAOYSA-N 2 0 233.359 1.869 20 0 BDADRP C[C@H]1CC[C@@H](C[NH3+])N1Cc1ccc(CO)cc1 ZINC001205063933 967316538 /nfs/dbraw/zinc/31/65/38/967316538.db2.gz FYMOTIWCDPKNMD-FZMZJTMJSA-N 2 0 234.343 1.491 20 0 BDADRP C[C@H]1CC[C@@H](C[NH3+])N1Cc1ccn2ccnc2c1 ZINC001205075762 967325238 /nfs/dbraw/zinc/32/52/38/967325238.db2.gz LZVVYORQCMHZIR-AAEUAGOBSA-N 2 0 244.342 1.646 20 0 BDADRP C[NH+]1CCC(CC[N@@H+]2CCC[C@@H]([NH3+])CC2)CC1 ZINC001205094859 967340283 /nfs/dbraw/zinc/34/02/83/967340283.db2.gz RGXQIAXDUVOXPO-CQSZACIVSA-N 3 0 239.407 1.532 20 0 BDADRP [NH3+][C@H]1CCC[N@H+](Cc2cccc3c2NCC3)CC1 ZINC001205123959 967368847 /nfs/dbraw/zinc/36/88/47/967368847.db2.gz HUAVJBFXCGTZCQ-AWEZNQCLSA-N 2 0 245.370 1.968 20 0 BDADRP Cc1cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)ccc1O ZINC001205140517 967390890 /nfs/dbraw/zinc/39/08/90/967390890.db2.gz LHEOXMUADHAYOH-WCQYABFASA-N 2 0 234.343 1.727 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccc3nccn3c2)C[C@H]1C[NH3+] ZINC001205140509 967391918 /nfs/dbraw/zinc/39/19/18/967391918.db2.gz KNOPNXAJQDFWEL-WCQYABFASA-N 2 0 244.342 1.361 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693711828 967410027 /nfs/dbraw/zinc/41/00/27/967410027.db2.gz ZTTSVANMJRFUJT-FVCCEPFGSA-N 2 0 240.391 1.370 20 0 BDADRP Cc1cnccc1C[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205209485 967427954 /nfs/dbraw/zinc/42/79/54/967427954.db2.gz JUNRRBOFFFUWLJ-AWEZNQCLSA-N 2 0 249.358 1.066 20 0 BDADRP C[C@@]1([NH3+])CCCN(CC[C@@H]2CCCC[NH2+]2)CC1 ZINC001205255851 967445242 /nfs/dbraw/zinc/44/52/42/967445242.db2.gz LYMTXHNSWFFUCW-UONOGXRCSA-N 2 0 239.407 1.722 20 0 BDADRP C[C@@]1([NH3+])CCC[N@H+](CCCCCO)CC1 ZINC001205255448 967447879 /nfs/dbraw/zinc/44/78/79/967447879.db2.gz IZCAYSSNKMQYKP-GFCCVEGCSA-N 2 0 214.353 1.352 20 0 BDADRP Cc1noc(C)c1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205264264 967454740 /nfs/dbraw/zinc/45/47/40/967454740.db2.gz IPAPLZPUJYTZRF-ZDUSSCGKSA-N 2 0 237.347 1.995 20 0 BDADRP C[C@]1([NH3+])CCC[N@H+](Cc2ncccc2N)CC1 ZINC001205266944 967457687 /nfs/dbraw/zinc/45/76/87/967457687.db2.gz YNEHLUUEZQDTLV-ZDUSSCGKSA-N 2 0 234.347 1.367 20 0 BDADRP C[C@]1([NH3+])CCC[N@H+](Cc2ccnc(N)c2)CC1 ZINC001205280642 967471065 /nfs/dbraw/zinc/47/10/65/967471065.db2.gz FARNZECQEDMIML-ZDUSSCGKSA-N 2 0 234.347 1.367 20 0 BDADRP C[C@@H]1CCN(C[C@@H]2CCCC[NH2+]2)C[C@H]1C[NH3+] ZINC001205296131 967496157 /nfs/dbraw/zinc/49/61/57/967496157.db2.gz HNHGGBYTTJCYHF-UPJWGTAASA-N 2 0 225.380 1.045 20 0 BDADRP C[C@@H]1CCN(CC[C@H]2CCCC[NH2+]2)C[C@@H]1C[NH3+] ZINC001205295710 967498571 /nfs/dbraw/zinc/49/85/71/967498571.db2.gz BANCZRJFRWTNRT-HZSPNIEDSA-N 2 0 239.407 1.435 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@H]1Cc2cccc(Cl)c2C1 ZINC001168704811 967550893 /nfs/dbraw/zinc/55/08/93/967550893.db2.gz PFHIPXGATBNXCN-ONGXEEELSA-N 2 0 238.762 1.992 20 0 BDADRP Cn1nccc1C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205545541 967690273 /nfs/dbraw/zinc/69/02/73/967690273.db2.gz JBVNRDMTOOJYJG-GFCCVEGCSA-N 2 0 240.326 1.073 20 0 BDADRP Cn1c[nH+]cc1Nc1ccc2c[nH+]cn2c1 ZINC001250326984 967710573 /nfs/dbraw/zinc/71/05/73/967710573.db2.gz FURDREJJGTXIHQ-UHFFFAOYSA-N 2 0 213.244 1.811 20 0 BDADRP OCc1cc(Nc2ccc3c[nH+]cn3c2)cc[nH+]1 ZINC001250326908 967713199 /nfs/dbraw/zinc/71/31/99/967713199.db2.gz BTZQWYXBHPORLG-UHFFFAOYSA-N 2 0 240.266 1.965 20 0 BDADRP COCCCC[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205603114 967718257 /nfs/dbraw/zinc/71/82/57/967718257.db2.gz NUCVDPIXFQWBHK-CHWSQXEVSA-N 2 0 228.380 1.720 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2CCC=CO2)CC[C@@H]1C[NH3+] ZINC001205602266 967720665 /nfs/dbraw/zinc/72/06/65/967720665.db2.gz IDXOLPBOHGMGAV-MCIONIFRSA-N 2 0 238.375 1.986 20 0 BDADRP C[C@H]1CC[N@H+](Cc2cnccc2N)CC[C@@H]1C[NH3+] ZINC001205618575 967724493 /nfs/dbraw/zinc/72/44/93/967724493.db2.gz XGVFYPRDMLMERG-NWDGAFQWSA-N 2 0 248.374 1.301 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2cncnc2)CC[C@@H]1C[NH3+] ZINC001205618970 967725731 /nfs/dbraw/zinc/72/57/31/967725731.db2.gz ZSHQUAWXYNETGC-DGCLKSJQSA-N 2 0 234.347 1.283 20 0 BDADRP Cc1nccnc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205629481 967736854 /nfs/dbraw/zinc/73/68/54/967736854.db2.gz ZEJLMBXHHIIAGH-WCQYABFASA-N 2 0 248.374 1.592 20 0 BDADRP Cc1ncccc1C[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205673785 967762209 /nfs/dbraw/zinc/76/22/09/967762209.db2.gz UKKWRVAFNYSXJY-AWEZNQCLSA-N 2 0 249.358 1.066 20 0 BDADRP Cc1ncccc1C[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205673786 967763711 /nfs/dbraw/zinc/76/37/11/967763711.db2.gz UKKWRVAFNYSXJY-CQSZACIVSA-N 2 0 249.358 1.066 20 0 BDADRP CC[N@H+](CCC[NH+]1CCCC1)C[C@@H](C)OC ZINC001205692062 967787477 /nfs/dbraw/zinc/78/74/77/967787477.db2.gz BETUCQLXDUWILX-CYBMUJFWSA-N 2 0 228.380 1.829 20 0 BDADRP C[C@@H]1CCN(CC[C@@H]2CCCC[NH2+]2)C[C@@H]1[NH3+] ZINC001205863397 967863609 /nfs/dbraw/zinc/86/36/09/967863609.db2.gz QONLOBRTWLTEQW-AGIUHOORSA-N 2 0 225.380 1.188 20 0 BDADRP COC1CC(C[N@@H+]2CC[C@](C)(C[NH3+])C2)C1 ZINC000703840834 967878575 /nfs/dbraw/zinc/87/85/75/967878575.db2.gz PDCASQLNDVHPCW-HTAVTVPLSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cccc(N)c1 ZINC001205916116 967883687 /nfs/dbraw/zinc/88/36/87/967883687.db2.gz RXFCOWLHLNUGNP-WCQYABFASA-N 2 0 233.359 1.828 20 0 BDADRP CC[C@H](N)C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205981756 967919857 /nfs/dbraw/zinc/91/98/57/967919857.db2.gz GSROHKQVZDAJFK-SRVKXCTJSA-N 2 0 213.369 1.031 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CCC[C@H]1C[NH3+] ZINC001205984993 967929920 /nfs/dbraw/zinc/92/99/20/967929920.db2.gz URFOHJMVQLZXGF-FRRDWIJNSA-N 2 0 226.364 1.472 20 0 BDADRP Cc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)[nH]n1 ZINC001205982514 967935313 /nfs/dbraw/zinc/93/53/13/967935313.db2.gz MGJUNUAGTKMMLO-CMPLNLGQSA-N 2 0 236.363 1.525 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CCOC2)CCC[C@H]1C[NH3+] ZINC001205985621 967936600 /nfs/dbraw/zinc/93/66/00/967936600.db2.gz YZOUREBUGYTQEL-UPJWGTAASA-N 2 0 226.364 1.330 20 0 BDADRP Cc1nccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)n1 ZINC001205996720 967952474 /nfs/dbraw/zinc/95/24/74/967952474.db2.gz XYLQFVLXQNNQCZ-DGCLKSJQSA-N 2 0 248.374 1.592 20 0 BDADRP C[C@H]1CC[C@@H](CN)[N@@H+]1CC1CC[NH+](C)CC1 ZINC001205058430 967953520 /nfs/dbraw/zinc/95/35/20/967953520.db2.gz MFRLPLYGTDEGPP-AAEUAGOBSA-N 2 0 225.380 1.140 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cnco2)CCC[C@@H]1C[NH3+] ZINC001206004779 967959996 /nfs/dbraw/zinc/95/99/96/967959996.db2.gz VIUPGCCHIFUMPB-GHMZBOCLSA-N 2 0 223.320 1.481 20 0 BDADRP Cc1ncoc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206003396 967960845 /nfs/dbraw/zinc/96/08/45/967960845.db2.gz HMNPVRXMQOYXJW-PWSUYJOCSA-N 2 0 237.347 1.790 20 0 BDADRP Cc1ncoc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206003395 967962994 /nfs/dbraw/zinc/96/29/94/967962994.db2.gz HMNPVRXMQOYXJW-JQWIXIFHSA-N 2 0 237.347 1.790 20 0 BDADRP Cc1ncc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)o1 ZINC001206028232 967986320 /nfs/dbraw/zinc/98/63/20/967986320.db2.gz XVFBDQRXUSTIEO-ZYHUDNBSSA-N 2 0 237.347 1.790 20 0 BDADRP [NH3+][C@H]1CCN(Cc2cccnc2)CC[C@H]1F ZINC001206167069 968103527 /nfs/dbraw/zinc/10/35/27/968103527.db2.gz WUULHLMQCZHEBI-NEPJUHHUSA-N 2 0 223.295 1.343 20 0 BDADRP N[C@@]1(C(F)(F)F)CC[N@H+](CCCCC[NH3+])C1 ZINC001206222475 968151444 /nfs/dbraw/zinc/15/14/44/968151444.db2.gz OUALAQVMTYAANN-VIFPVBQESA-N 2 0 239.285 1.081 20 0 BDADRP C[C@H]1C[NH2+]CCCN1C[C@H]([NH3+])Cc1ccccc1 ZINC001206257336 968176891 /nfs/dbraw/zinc/17/68/91/968176891.db2.gz ARTSIKIBSVGQCL-DZGCQCFKSA-N 2 0 247.386 1.240 20 0 BDADRP C[C@H]1C[NH2+]CCN(Cc2ccc(C[NH3+])cc2)C1 ZINC001206276106 968189673 /nfs/dbraw/zinc/18/96/73/968189673.db2.gz BYIQWPLWEKRDQP-LBPRGKRZSA-N 3 0 233.359 1.187 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@H+](CCCCCO)CC1 ZINC001206294116 968194169 /nfs/dbraw/zinc/19/41/69/968194169.db2.gz JGGRQFBSGINAOW-ZDUSSCGKSA-N 2 0 228.380 1.600 20 0 BDADRP Cc1n[nH]cc1C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206303590 968209214 /nfs/dbraw/zinc/20/92/14/968209214.db2.gz DHEYFVUQQLJIIV-ZDUSSCGKSA-N 2 0 236.363 1.669 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cc[nH]c2)CC1 ZINC001206310876 968217117 /nfs/dbraw/zinc/21/71/17/968217117.db2.gz DVBMYWLLNRDNBH-CYBMUJFWSA-N 2 0 221.348 1.966 20 0 BDADRP C[C@@]1(C[NH3+])CCCN(Cc2csnn2)CC1 ZINC001206311042 968219503 /nfs/dbraw/zinc/21/95/03/968219503.db2.gz GXEUZCWQTXYBFX-LLVKDONJSA-N 2 0 240.376 1.489 20 0 BDADRP CN(C)c1cc[nH+]c(N2C[C@@H]3C[NH+](C)C[C@H]3C2)c1 ZINC001165147021 968266571 /nfs/dbraw/zinc/26/65/71/968266571.db2.gz HKCMASZMAFHDGS-RYUDHWBXSA-N 2 0 246.358 1.145 20 0 BDADRP CC[C@@H](O)C[NH2+]CCCCC[NH+](C)C ZINC001251799561 968336927 /nfs/dbraw/zinc/33/69/27/968336927.db2.gz FDSZZZOKITVZSK-LLVKDONJSA-N 2 0 202.342 1.079 20 0 BDADRP CC(C)c1ccccc1C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206530969 968359439 /nfs/dbraw/zinc/35/94/39/968359439.db2.gz YHPYKPMXKFQDLK-ZFWWWQNUSA-N 2 0 248.370 1.561 20 0 BDADRP C[C@@]1(C[NH3+])CCCC[N@H+](CCCC[NH3+])C1 ZINC001206541732 968367615 /nfs/dbraw/zinc/36/76/15/968367615.db2.gz IODMXKGSSWQZDP-LBPRGKRZSA-N 3 0 213.369 1.176 20 0 BDADRP CC(C)[N@H+](CCCC[NH3+])[C@@H]1CCC[NH2+]CC1 ZINC001206582136 968398183 /nfs/dbraw/zinc/39/81/83/968398183.db2.gz MDIOANVLAZYSAD-CYBMUJFWSA-N 3 0 227.396 1.578 20 0 BDADRP [NH3+]C[C@H]1CCCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC001206606542 968415445 /nfs/dbraw/zinc/41/54/45/968415445.db2.gz ONAQIGIQEVXAOC-ZIAGYGMSSA-N 2 0 239.407 1.437 20 0 BDADRP [NH3+]C[C@H]1CCCCN(Cc2cccnc2F)C1 ZINC001206616927 968420759 /nfs/dbraw/zinc/42/07/59/968420759.db2.gz ULCHMPGFAQSWMW-LLVKDONJSA-N 2 0 237.322 1.782 20 0 BDADRP C[C@@H]([NH3+])CN1C[C@H](C[NH3+])Cc2cc(F)ccc21 ZINC001119606747 968431136 /nfs/dbraw/zinc/43/11/36/968431136.db2.gz SBWSWAYOFPHRLL-ZJUUUORDSA-N 2 0 237.322 1.110 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCc2cn[nH]c2)C1 ZINC001119699793 968457743 /nfs/dbraw/zinc/45/77/43/968457743.db2.gz ZFQRXJOSEJWBOZ-NWDGAFQWSA-N 2 0 236.363 1.448 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCc2cn[nH]c2)C1 ZINC001119699795 968459103 /nfs/dbraw/zinc/45/91/03/968459103.db2.gz ZFQRXJOSEJWBOZ-VXGBXAGGSA-N 2 0 236.363 1.448 20 0 BDADRP CC(C)[PH+](CC[NH2+]C[C@H](O)CO)C(C)C ZINC001252074692 968490912 /nfs/dbraw/zinc/49/09/12/968490912.db2.gz LAFUTZMBLMVPQU-NSHDSACASA-N 2 0 235.308 1.228 20 0 BDADRP C[N@H+](C1CCC([NH3+])CC1)[C@@H]1CCCOCC1 ZINC000085869329 968506945 /nfs/dbraw/zinc/50/69/45/968506945.db2.gz DGWOTZPIDXDBKB-OTTFEQOBSA-N 2 0 226.364 1.757 20 0 BDADRP C[NH+]1CC2(C1)CC[NH+](Cc1cncc(F)c1)CC2 ZINC001207025259 968557991 /nfs/dbraw/zinc/55/79/91/968557991.db2.gz XKIZHZVMEWPGAG-UHFFFAOYSA-N 2 0 249.333 1.748 20 0 BDADRP C[NH+](C)CCN1CCC12C[NH+](CCC1CC1)C2 ZINC001276512863 968673504 /nfs/dbraw/zinc/67/35/04/968673504.db2.gz BPPCVOWGQHIHDN-UHFFFAOYSA-N 2 0 237.391 1.108 20 0 BDADRP C[NH+](C)CC(C)(C)C[N@@H+]1CCCC[C@@H]1CO ZINC001207276553 968712946 /nfs/dbraw/zinc/71/29/46/968712946.db2.gz ZFQWMJHGGUNHTR-GFCCVEGCSA-N 2 0 228.380 1.421 20 0 BDADRP C[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)CC[C@]1(C)O ZINC001207436330 968769038 /nfs/dbraw/zinc/76/90/38/968769038.db2.gz FEVYGLMRNWHRMM-OCCSQVGLSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CC[C@]1(C)O ZINC001207436508 968770934 /nfs/dbraw/zinc/77/09/34/968770934.db2.gz KULRJBCZPLIRCD-YPMHNXCESA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)CCC1=O ZINC001207436879 968771361 /nfs/dbraw/zinc/77/13/61/968771361.db2.gz VVWGNRVPEXLCJQ-LLVKDONJSA-N 2 0 224.348 1.287 20 0 BDADRP C[N@H+]1C[C@H]2[C@H](C1)CCCN2CC1CC[NH2+]CC1 ZINC001207439099 968774789 /nfs/dbraw/zinc/77/47/89/968774789.db2.gz MPOTZLMRDGXPLB-KBPBESRZSA-N 2 0 237.391 1.012 20 0 BDADRP C[NH+]1CCC(CC[N@@H+]2CC[C@](C)(CO)C2)CC1 ZINC001207479445 968791973 /nfs/dbraw/zinc/79/19/73/968791973.db2.gz IZLBOKNCYNXZMX-AWEZNQCLSA-N 2 0 240.391 1.423 20 0 BDADRP C[NH+]1CCC(CC[N@@H+]2CC[C@@H](F)[C@@H](O)C2)CC1 ZINC001207479760 968792653 /nfs/dbraw/zinc/79/26/53/968792653.db2.gz MYQMOLUBOXYVPR-OLZOCXBDSA-N 2 0 244.354 1.123 20 0 BDADRP Cc1c[nH+]c(NC[C@H]2C[NH2+][C@H](C)C2)c(N)c1 ZINC001155102032 968894811 /nfs/dbraw/zinc/89/48/11/968894811.db2.gz PTZPMZYPVOWVJW-NXEZZACHSA-N 2 0 220.320 1.382 20 0 BDADRP CC[C@H](COC)[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001207835421 968895431 /nfs/dbraw/zinc/89/54/31/968895431.db2.gz CBQBETLIYSJQOA-QNWHQSFQSA-N 2 0 226.364 1.341 20 0 BDADRP CC[NH+]1C[C@@H]2C[NH+](C[C@H]3CCCCO3)C[C@H]2C1 ZINC001207963337 968958104 /nfs/dbraw/zinc/95/81/04/968958104.db2.gz GCDCQUDYLGXUOL-MGPQQGTHSA-N 2 0 238.375 1.439 20 0 BDADRP Cc1cc2[nH]ccc2c(N[C@@H]2COC[C@@H]2[NH3+])[nH+]1 ZINC001155353756 968962955 /nfs/dbraw/zinc/96/29/55/968962955.db2.gz RCPJVZGGEVKHND-GXSJLCMTSA-N 2 0 232.287 1.009 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+](CCCn3cccn3)C2)C1 ZINC001208077527 968980315 /nfs/dbraw/zinc/98/03/15/968980315.db2.gz HEGJFGVZODXAAL-AWEZNQCLSA-N 2 0 248.374 1.301 20 0 BDADRP CCC[C@@H](O)C[NH2+]CC1CC[NH+](CC)CC1 ZINC001252798564 968983072 /nfs/dbraw/zinc/98/30/72/968983072.db2.gz BUJGQOMVEKBYMK-CYBMUJFWSA-N 2 0 228.380 1.469 20 0 BDADRP C[NH+]1CCC(C)(C[NH+]2CC3(CC(O)C3)C2)CC1 ZINC001208105576 969001401 /nfs/dbraw/zinc/00/14/01/969001401.db2.gz YHYVWUNKJYZQEK-UHFFFAOYSA-N 2 0 238.375 1.175 20 0 BDADRP C[NH+]1CCC(C)(C[N@@H+]2CC[C@H](F)[C@H](O)C2)CC1 ZINC001208107748 969002719 /nfs/dbraw/zinc/00/27/19/969002719.db2.gz KBCHBHWSNLUSFW-NWDGAFQWSA-N 2 0 244.354 1.123 20 0 BDADRP C[N@H+](CC1(C)CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC001208114194 969008001 /nfs/dbraw/zinc/00/80/01/969008001.db2.gz TXCJPPMDDHVIOE-GFCCVEGCSA-N 2 0 226.364 1.439 20 0 BDADRP C[NH+](C)CCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC001208124402 969015794 /nfs/dbraw/zinc/01/57/94/969015794.db2.gz PRYUPWNOGLKBHD-HNNXBMFYSA-N 2 0 247.386 1.537 20 0 BDADRP c1nn(C2C[NH2+]C2)cc1-c1ccc2c[nH+]cn2c1 ZINC001241603166 969071617 /nfs/dbraw/zinc/07/16/17/969071617.db2.gz RNUIXJJEJNASTB-UHFFFAOYSA-N 2 0 239.282 1.342 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CC[C@](C)(CO)C2)CC1 ZINC001208593477 969151240 /nfs/dbraw/zinc/15/12/40/969151240.db2.gz TYECUTJFPBZLSG-AWEZNQCLSA-N 2 0 240.391 1.423 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH+]2CC[C@@H]3COC[C@@H]3C2)C1 ZINC001208605199 969154974 /nfs/dbraw/zinc/15/49/74/969154974.db2.gz ANIFJAFNASZDCK-MCIONIFRSA-N 2 0 238.375 1.297 20 0 BDADRP CCO[C@@H]1CCC[N@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208607935 969162800 /nfs/dbraw/zinc/16/28/00/969162800.db2.gz OQNFDNSRYMPHFS-UONOGXRCSA-N 2 0 240.391 1.829 20 0 BDADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@H]1CC12CCCC2 ZINC001253409220 969162881 /nfs/dbraw/zinc/16/28/81/969162881.db2.gz RJNCOTYYHZQIDM-RYUDHWBXSA-N 2 0 240.391 1.658 20 0 BDADRP CO[C@H]1CC[N@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208607597 969164337 /nfs/dbraw/zinc/16/43/37/969164337.db2.gz LPXPEJFECMWVDU-RYUDHWBXSA-N 2 0 212.337 1.049 20 0 BDADRP CCO[C@H]1CCC[N@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208607934 969166604 /nfs/dbraw/zinc/16/66/04/969166604.db2.gz OQNFDNSRYMPHFS-KGLIPLIRSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@H]1C[N@H+](Cc2cncnc2)CCC[C@H]1C[NH3+] ZINC001205992021 969212689 /nfs/dbraw/zinc/21/26/89/969212689.db2.gz CXCUNVWQXSTTRW-AAEUAGOBSA-N 2 0 234.347 1.283 20 0 BDADRP [NH3+][C@H]1CCc2nn(-c3cc[nH+]cc3)cc2C1 ZINC001168805061 969221091 /nfs/dbraw/zinc/22/10/91/969221091.db2.gz VBJUTIIVZFXTNB-JTQLQIEISA-N 2 0 214.272 1.083 20 0 BDADRP Cc1cnc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cn1 ZINC001205996047 969324440 /nfs/dbraw/zinc/32/44/40/969324440.db2.gz UFPDFOBMSQATQY-AAEUAGOBSA-N 2 0 248.374 1.592 20 0 BDADRP Cc1nc(CC[NH3+])nn1-c1cc(C)[nH+]c(C)c1 ZINC001168987136 969342596 /nfs/dbraw/zinc/34/25/96/969342596.db2.gz FWBPRAYRTODNET-UHFFFAOYSA-N 2 0 231.303 1.089 20 0 BDADRP CC(C)(C)[C@@H](O)C[NH2+]CCCC[NH+]1CCCC1 ZINC001253740708 969359720 /nfs/dbraw/zinc/35/97/20/969359720.db2.gz IQYLZCJHNXGNAQ-ZDUSSCGKSA-N 2 0 242.407 1.859 20 0 BDADRP Cc1cnc(CC[NH3+])n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169095691 969384664 /nfs/dbraw/zinc/38/46/64/969384664.db2.gz RGAKAZVNNBHJHV-CLLJXQQHSA-N 2 0 248.374 1.490 20 0 BDADRP CN1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169095722 969387602 /nfs/dbraw/zinc/38/76/02/969387602.db2.gz SBEMULHCOIGAJT-SYQHCUMBSA-N 2 0 237.391 1.295 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(=O)[nH]c1)C2 ZINC001169098088 969390471 /nfs/dbraw/zinc/39/04/71/969390471.db2.gz FRJNENFZNACVDS-CLLJXQQHSA-N 2 0 247.342 1.502 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCC1COC1)C2 ZINC001169100332 969391604 /nfs/dbraw/zinc/39/16/04/969391604.db2.gz JGYCYLRLBLXJHX-XYYAHUGASA-N 2 0 224.348 1.238 20 0 BDADRP C[C@@H]([NH3+])c1ccn([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC001169100526 969393346 /nfs/dbraw/zinc/39/33/46/969393346.db2.gz KNUCYECRLRXNEO-WISYIIOYSA-N 2 0 234.347 1.701 20 0 BDADRP CC(C)N(CCC[NH3+])[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169096435 969393551 /nfs/dbraw/zinc/39/35/51/969393551.db2.gz WLXFEHIUCRCNHE-WDNDVIMCSA-N 2 0 239.407 1.671 20 0 BDADRP CC(C)[C@@H](O)C[NH2+]CCCCC[NH+](C)C ZINC001253778473 969399559 /nfs/dbraw/zinc/39/95/59/969399559.db2.gz PTADVJJJIDBOGS-LBPRGKRZSA-N 2 0 216.369 1.325 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1ccc(C[NH3+])c1)C2 ZINC001169101190 969400598 /nfs/dbraw/zinc/40/05/98/969400598.db2.gz OYRDUYNAKLLUDK-ITGUQSILSA-N 2 0 219.332 1.745 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCn1ccnc1)C2 ZINC001169081350 969401791 /nfs/dbraw/zinc/40/17/91/969401791.db2.gz RUXKPUSWIVDXCE-BTTYYORXSA-N 2 0 248.374 1.488 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001253783054 969404814 /nfs/dbraw/zinc/40/48/14/969404814.db2.gz UQGVZXMFVIYDAB-XJFOESAGSA-N 2 0 240.391 1.608 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC1)C2 ZINC001169123718 969417540 /nfs/dbraw/zinc/41/75/40/969417540.db2.gz MPKDTWVBKZRKPV-ZUWCUPBKSA-N 2 0 220.360 2.000 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@@H]1C1CC1)C2 ZINC001169123715 969418554 /nfs/dbraw/zinc/41/85/54/969418554.db2.gz MPKDTWVBKZRKPV-XVIXHAIJSA-N 2 0 220.360 2.000 20 0 BDADRP CO[C@H]1CCC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169125446 969426240 /nfs/dbraw/zinc/42/62/40/969426240.db2.gz IPKBERFUHPEWEF-DGAVXFQQSA-N 2 0 238.375 1.722 20 0 BDADRP COCC[N@H+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169126855 969431797 /nfs/dbraw/zinc/43/17/97/969431797.db2.gz YAAGOCDSPHIPAC-ZSBIGDGJSA-N 2 0 212.337 1.190 20 0 BDADRP C[C@@H]1COCC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169108172 969446325 /nfs/dbraw/zinc/44/63/25/969446325.db2.gz OZNOFEVCEPWIHF-RKQHYHRCSA-N 2 0 238.375 1.626 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(C)(C)C(C)(C)[NH3+])C2 ZINC001169109925 969448282 /nfs/dbraw/zinc/44/82/82/969448282.db2.gz JRYJFATUXQNWDC-ZSBIGDGJSA-N 2 0 239.407 1.717 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[NH+]3CCC[C@@H]3C1)C2 ZINC001169139635 969448866 /nfs/dbraw/zinc/44/88/66/969448866.db2.gz CNJIRVOYFBDMIX-BARDWOONSA-N 2 0 249.402 1.392 20 0 BDADRP C[C@@H]1C[C@H]1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001209411097 969477326 /nfs/dbraw/zinc/47/73/26/969477326.db2.gz BCFFMRLBYSCAIF-NDBYEHHHSA-N 2 0 208.349 1.526 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cc[nH]c2)CCC[C@H]1C[NH3+] ZINC001206004177 969479400 /nfs/dbraw/zinc/47/94/00/969479400.db2.gz QWXQRZLYTKXSGD-YPMHNXCESA-N 2 0 221.348 1.822 20 0 BDADRP C[C@@H]([NH3+])c1ccn(-c2cccn3cncc23)n1 ZINC001169235414 969493252 /nfs/dbraw/zinc/49/32/52/969493252.db2.gz VWCUFYVWLYPFFA-SECBINFHSA-N 2 0 227.271 1.540 20 0 BDADRP C[C@H]([NH3+])c1ccn(-c2ccc(C[NH+](C)C)cn2)n1 ZINC001169230648 969502005 /nfs/dbraw/zinc/50/20/05/969502005.db2.gz VFTMXDOTYJSALG-JTQLQIEISA-N 2 0 245.330 1.349 20 0 BDADRP C[C@@H]([NH3+])c1ccn(-c2cccc(C[NH+](C)C)n2)n1 ZINC001169231276 969508126 /nfs/dbraw/zinc/50/81/26/969508126.db2.gz HCYYDDYTXYUOKS-SNVBAGLBSA-N 2 0 245.330 1.349 20 0 BDADRP C[C@H]([NH3+])c1ccn(-c2c[nH+]cc3cc[nH]c32)n1 ZINC001169233235 969513725 /nfs/dbraw/zinc/51/37/25/969513725.db2.gz PDDNYXLBNKFOEB-QMMMGPOBSA-N 2 0 227.271 1.768 20 0 BDADRP CCN1CCC([N@@H+]2CC[C@@]23CCOC3)CC1 ZINC001169265443 969522731 /nfs/dbraw/zinc/52/27/31/969522731.db2.gz XBMDWBQCTHXNBH-ZDUSSCGKSA-N 2 0 224.348 1.336 20 0 BDADRP C[NH+]1CCC(CCC[NH2+][C@H]2CCCOC2)CC1 ZINC001254367326 969580438 /nfs/dbraw/zinc/58/04/38/969580438.db2.gz ADCYDHFPINLRNR-AWEZNQCLSA-N 2 0 240.391 1.877 20 0 BDADRP CC[N@H+](CCC[NH+](C)C)[C@H]1CCCOC1 ZINC001254388611 969581932 /nfs/dbraw/zinc/58/19/32/969581932.db2.gz FXRHTFDIMURXJG-LBPRGKRZSA-N 2 0 214.353 1.439 20 0 BDADRP CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1cnccc1N ZINC001209736124 969597845 /nfs/dbraw/zinc/59/78/45/969597845.db2.gz DGJUGWOGXKPDLE-LBPRGKRZSA-N 2 0 235.331 1.229 20 0 BDADRP C[N@@H+]1CCC[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001254499598 969657797 /nfs/dbraw/zinc/65/77/97/969657797.db2.gz KPLYMHLQZRLPHN-RWMBFGLXSA-N 2 0 225.380 1.330 20 0 BDADRP C[C@H]([NH3+])c1ccn([C@H]2CCC[N@H+](C)CC2)n1 ZINC001254506012 969670644 /nfs/dbraw/zinc/67/06/44/969670644.db2.gz NLRCCNDLGTWHEM-QWRGUYRKSA-N 2 0 222.336 1.560 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+]C[C@H](O)c2ccccn2)CC1 ZINC001254506246 969674303 /nfs/dbraw/zinc/67/43/03/969674303.db2.gz QAFFWPJFXMPVKV-OCCSQVGLSA-N 2 0 249.358 1.189 20 0 BDADRP COC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254504070 969674739 /nfs/dbraw/zinc/67/47/39/969674739.db2.gz SFTAFHWASRVAHI-IJLUTSLNSA-N 2 0 240.347 1.012 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH+]2CCC3(CC3)C2)CC1 ZINC001254519681 969701005 /nfs/dbraw/zinc/70/10/05/969701005.db2.gz JUHNYYUQIRXOTN-LBPRGKRZSA-N 2 0 208.349 1.957 20 0 BDADRP CN([C@H]1CC[N@H+](C)C1)[C@@H]1CCC[NH+](C)CC1 ZINC001254522585 969706923 /nfs/dbraw/zinc/70/69/23/969706923.db2.gz HLAMNBCSPUGKEG-OLZOCXBDSA-N 2 0 225.380 1.107 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH+]2CC3(C2)CCOCC3)CC1 ZINC001254522556 969709645 /nfs/dbraw/zinc/70/96/45/969709645.db2.gz HBRVGIGBDQBNLQ-CYBMUJFWSA-N 2 0 238.375 1.583 20 0 BDADRP CN1CC[C@H]2C[N@@H+]([C@@H]3CCC[NH+](C)CC3)C[C@H]21 ZINC001254525455 969716204 /nfs/dbraw/zinc/71/62/04/969716204.db2.gz JCBBEUIDIFAHQA-BFHYXJOUSA-N 2 0 237.391 1.107 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH+]2CCC[C@@]23CCOC3)CC1 ZINC001254529165 969719471 /nfs/dbraw/zinc/71/94/71/969719471.db2.gz KMVFXQGSWIUJQM-KGLIPLIRSA-N 2 0 238.375 1.726 20 0 BDADRP Cc1c[nH+]ccc1Nc1c[nH+]c(N)cc1C ZINC001209961446 969720662 /nfs/dbraw/zinc/72/06/62/969720662.db2.gz JZAFFJCTWPJLJW-UHFFFAOYSA-N 2 0 214.272 1.841 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH+]2CCC[C@@H]2C(C)(C)O)CC1 ZINC001254529836 969732839 /nfs/dbraw/zinc/73/28/39/969732839.db2.gz RKWBQGLGVQHSEJ-QWHCGFSZSA-N 2 0 240.391 1.706 20 0 BDADRP CC(=O)N1CCC[C@H]([N@@H+](CCC[NH3+])C(C)C)C1 ZINC001169574299 969772235 /nfs/dbraw/zinc/77/22/35/969772235.db2.gz NKQUJUNOVCRRBA-ZDUSSCGKSA-N 2 0 241.379 1.057 20 0 BDADRP CC(C)N(CCC[NH3+])[C@H]1CC2CC[NH+](CC2)C1 ZINC001254835611 969798916 /nfs/dbraw/zinc/79/89/16/969798916.db2.gz HHNBSTCVRXTLRI-AWEZNQCLSA-N 2 0 239.407 1.530 20 0 BDADRP C[C@H]([NH3+])c1ccn([C@@H]2CC3CC[NH+](CC3)C2)n1 ZINC001254840592 969801966 /nfs/dbraw/zinc/80/19/66/969801966.db2.gz JXYBOPIYMKQBQQ-CMPLNLGQSA-N 2 0 234.347 1.560 20 0 BDADRP [NH3+]CCCc1nccn1[C@H]1CC2CC[NH+](CC2)C1 ZINC001254851980 969806765 /nfs/dbraw/zinc/80/67/65/969806765.db2.gz DUZRWAULZJASAB-ZDUSSCGKSA-N 2 0 248.374 1.431 20 0 BDADRP C[NH+](C)Cc1cccc(-n2ccc(C[NH3+])c2)n1 ZINC001169725630 969817647 /nfs/dbraw/zinc/81/76/47/969817647.db2.gz OXGJLFYDPWXAIU-UHFFFAOYSA-N 2 0 230.315 1.393 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+](C3CCSCC3)C2)C1 ZINC001255094028 969931654 /nfs/dbraw/zinc/93/16/54/969931654.db2.gz KVPYHBWRTOEYCW-ZDUSSCGKSA-N 2 0 240.416 1.910 20 0 BDADRP [NH3+]CCC1CCC([NH2+][C@@H]2CCSC2)CC1 ZINC001255274558 970025248 /nfs/dbraw/zinc/02/52/48/970025248.db2.gz NBGBXMPGZMWPAR-HTAVTVPLSA-N 2 0 228.405 1.989 20 0 BDADRP CN1CC[C@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)C1 ZINC001255411478 970130816 /nfs/dbraw/zinc/13/08/16/970130816.db2.gz FYPBRBFUCOFXTE-HNNXBMFYSA-N 2 0 247.386 1.542 20 0 BDADRP C[N@@H+]1CC[C@@H](Nc2ccc(CC[NH3+])cc2)C1 ZINC001255413534 970133897 /nfs/dbraw/zinc/13/38/97/970133897.db2.gz XLEYYNOPRZDJRP-CYBMUJFWSA-N 2 0 219.332 1.304 20 0 BDADRP C[N@@H+]1CC[C@H](N2CC[C@@H]([NH3+])c3ccccc32)C1 ZINC001255417304 970139096 /nfs/dbraw/zinc/13/90/96/970139096.db2.gz KCTBGKMRUIEZOZ-WCQYABFASA-N 2 0 231.343 1.601 20 0 BDADRP C[N@@H+]1CC[C@@H](N2CC[C@H]([NH3+])c3ccccc32)C1 ZINC001255417305 970140274 /nfs/dbraw/zinc/14/02/74/970140274.db2.gz KCTBGKMRUIEZOZ-YPMHNXCESA-N 2 0 231.343 1.601 20 0 BDADRP C[NH2+]Cc1ccc(-n2c[nH+]cc2N)cc1 ZINC001211128510 970155046 /nfs/dbraw/zinc/15/50/46/970155046.db2.gz HTISYTKSNYDXOC-UHFFFAOYSA-N 2 0 202.261 1.174 20 0 BDADRP C[NH2+]Cc1ccc(Nc2cc[nH+]cc2)cc1 ZINC001211127805 970156554 /nfs/dbraw/zinc/15/65/54/970156554.db2.gz ZOWYOXKGYZPEKV-UHFFFAOYSA-N 2 0 213.284 1.967 20 0 BDADRP C[N@@H+]1CC[C@@H](N2CC3(C2)CC[NH+](CC2CC2)C3)C1 ZINC001255433082 970161282 /nfs/dbraw/zinc/16/12/82/970161282.db2.gz VBQMWHVFBVJZJF-CQSZACIVSA-N 2 0 249.402 1.108 20 0 BDADRP CCCC[NH+]1CCN([C@H]2CC[N@H+](C)C2)CC1 ZINC001255436749 970166412 /nfs/dbraw/zinc/16/64/12/970166412.db2.gz ULXQOCUBDQOYNL-ZDUSSCGKSA-N 2 0 225.380 1.108 20 0 BDADRP CC[N@@H+]1CCN([C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001255443178 970177316 /nfs/dbraw/zinc/17/73/16/970177316.db2.gz KUCHPBRPRUSQBA-GFCCVEGCSA-N 2 0 225.380 1.107 20 0 BDADRP C[N@@H+]1CCC[C@H](N(C(N)=[NH2+])c2ccccc2)C1 ZINC001255469127 970193618 /nfs/dbraw/zinc/19/36/18/970193618.db2.gz BZGZRCMRISNVOT-LBPRGKRZSA-N 2 0 232.331 1.481 20 0 BDADRP C[NH2+]Cc1cccc(-c2cc(C[NH2+]C)ncn2)c1 ZINC001242997122 970194128 /nfs/dbraw/zinc/19/41/28/970194128.db2.gz ZUNFKFZVMHQYFQ-UHFFFAOYSA-N 2 0 242.326 1.582 20 0 BDADRP C[N@@H+]1CCC[C@@H](n2cc3ccc(C[NH3+])cc3n2)C1 ZINC001255473111 970201214 /nfs/dbraw/zinc/20/12/14/970201214.db2.gz OUIWNGCIRYVZLX-CYBMUJFWSA-N 2 0 244.342 1.762 20 0 BDADRP COc1c[nH+]ccc1Nc1cc[nH+]cc1 ZINC001211257667 970202649 /nfs/dbraw/zinc/20/26/49/970202649.db2.gz LJMNABBPQICGLX-UHFFFAOYSA-N 2 0 201.229 1.651 20 0 BDADRP C[N@@H+]1CCC[C@H](n2cc3ccc(C[NH3+])cc3n2)C1 ZINC001255473112 970205762 /nfs/dbraw/zinc/20/57/62/970205762.db2.gz OUIWNGCIRYVZLX-ZDUSSCGKSA-N 2 0 244.342 1.762 20 0 BDADRP CC[NH+]1CCC(N(C)[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001255486670 970231958 /nfs/dbraw/zinc/23/19/58/970231958.db2.gz NKDRZORIDGWVOA-CQSZACIVSA-N 2 0 239.407 1.497 20 0 BDADRP CCN(CC[NH+](CC)CC)[C@H]1CCC[N@H+](C)C1 ZINC001255486694 970232043 /nfs/dbraw/zinc/23/20/43/970232043.db2.gz NWXKBEXXSPUSCF-AWEZNQCLSA-N 2 0 241.423 1.744 20 0 BDADRP Cc1c[nH]c2ncnc(NC3(C)CC[NH2+]CC3)c12 ZINC001157396646 970246188 /nfs/dbraw/zinc/24/61/88/970246188.db2.gz BYDFRZORMQAVRO-UHFFFAOYSA-N 2 0 245.330 1.820 20 0 BDADRP C[NH2+]CCN([C@@H]1CCC[N@H+](C)C1)C(C)(C)C ZINC001255494231 970256187 /nfs/dbraw/zinc/25/61/87/970256187.db2.gz FHNPRIMTQGLCDS-GFCCVEGCSA-N 2 0 227.396 1.401 20 0 BDADRP C1=C(c2ccc(O[C@@H]3CC[NH2+]C3)cc2)C[NH2+]C1 ZINC001243110301 970351327 /nfs/dbraw/zinc/35/13/27/970351327.db2.gz CNWOZUUOHIUPHG-CQSZACIVSA-N 2 0 230.311 1.414 20 0 BDADRP COC[C@@H](C)[NH2+]C1CCC(CC[NH3+])CC1 ZINC001255563870 970352472 /nfs/dbraw/zinc/35/24/72/970352472.db2.gz RKUZATLLVHNIII-VOMCLLRMSA-N 2 0 214.353 1.519 20 0 BDADRP Cc1ccc(C[C@H](C)[NH2+][C@@H]2C[C@H]2N)cc1 ZINC001255778174 970483031 /nfs/dbraw/zinc/48/30/31/970483031.db2.gz SZTTVEISZXPLHK-CYZMBNFOSA-N 2 0 204.317 1.615 20 0 BDADRP Cc1ccc(C[C@@H](C)[NH2+][C@@H]2C[C@H]2N)cc1 ZINC001255778175 970483889 /nfs/dbraw/zinc/48/38/89/970483889.db2.gz SZTTVEISZXPLHK-RAIGVLPGSA-N 2 0 204.317 1.615 20 0 BDADRP CC[NH+](CC)CCN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000179291022 970504210 /nfs/dbraw/zinc/50/42/10/970504210.db2.gz DJYPTTZIGWXJPR-AWEZNQCLSA-N 2 0 241.423 1.602 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]CCCO ZINC001255939531 970568271 /nfs/dbraw/zinc/56/82/71/970568271.db2.gz GJCLOKFPYCQUQK-LLVKDONJSA-N 2 0 202.342 1.079 20 0 BDADRP CC[C@H]1C[C@@H]([NH+]2CCC([NH+](C)C)CC2)CCO1 ZINC001170205130 970569386 /nfs/dbraw/zinc/56/93/86/970569386.db2.gz VHHHIHFNWLKTIL-KBPBESRZSA-N 2 0 240.391 1.970 20 0 BDADRP CC[NH+](CC)CC[C@H](C)NCCC[NH+](C)C ZINC001255939218 970569541 /nfs/dbraw/zinc/56/95/41/970569541.db2.gz CZFCQCJPRUOMLD-ZDUSSCGKSA-N 2 0 229.412 1.648 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]CCC(=O)N(C)C ZINC001255940389 970570957 /nfs/dbraw/zinc/57/09/57/970570957.db2.gz BEUKATKAXBNECO-GFCCVEGCSA-N 2 0 243.395 1.175 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]CC(C)(C)C(N)=O ZINC001255945923 970576526 /nfs/dbraw/zinc/57/65/26/970576526.db2.gz PQNUZDBHVCQSKT-LLVKDONJSA-N 2 0 243.395 1.208 20 0 BDADRP CCC[C@@H](CO)[NH2+][C@H](C)CC[NH+](CC)CC ZINC001255947791 970581369 /nfs/dbraw/zinc/58/13/69/970581369.db2.gz WQCYTAGQWZSYMP-OLZOCXBDSA-N 2 0 230.396 1.857 20 0 BDADRP COC[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)C(C)C ZINC000400736276 970623045 /nfs/dbraw/zinc/62/30/45/970623045.db2.gz RTWNJJHIOQJMEV-DGCLKSJQSA-N 2 0 228.380 1.635 20 0 BDADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N[C@H](C)CC[NH+](C)C ZINC000400783447 970627860 /nfs/dbraw/zinc/62/78/60/970627860.db2.gz IFRCVLMTPKHINF-QJPTWQEYSA-N 2 0 243.395 1.206 20 0 BDADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCCOC1)C1CC[NH2+]CC1 ZINC000400809472 970632576 /nfs/dbraw/zinc/63/25/76/970632576.db2.gz XPMNYNWUORCFEC-OBJOEFQTSA-N 2 0 240.391 1.779 20 0 BDADRP [NH3+]CCc1cccn1C1CC[NH+](C2CC2)CC1 ZINC001256069655 970634000 /nfs/dbraw/zinc/63/40/00/970634000.db2.gz KXCMFWQEMSQPPW-UHFFFAOYSA-N 2 0 233.359 1.789 20 0 BDADRP F[C@H]1COCC[C@H]1[NH2+]C1CCN(C2CC2)CC1 ZINC001256068718 970637091 /nfs/dbraw/zinc/63/70/91/970637091.db2.gz GMTILYVVPTYMID-QWHCGFSZSA-N 2 0 242.338 1.330 20 0 BDADRP C[NH+]1CC(CNc2ccccc2CC[NH3+])C1 ZINC001170256504 970640501 /nfs/dbraw/zinc/64/05/01/970640501.db2.gz PDARRSWFBCWBDD-UHFFFAOYSA-N 2 0 219.332 1.161 20 0 BDADRP c1cc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000400996896 970654106 /nfs/dbraw/zinc/65/41/06/970654106.db2.gz CGGMQNWRFPZPEE-RRFJBIMHSA-N 2 0 245.370 1.602 20 0 BDADRP C[NH+]1CC(CNc2cc(OCC3CC3)cc[nH+]2)C1 ZINC001170253062 970657997 /nfs/dbraw/zinc/65/79/97/970657997.db2.gz FKWZRDLFXAHXBD-UHFFFAOYSA-N 2 0 247.342 1.844 20 0 BDADRP Cc1ccc(C)c(NCC2C[NH+](C)C2)[nH+]1 ZINC001170252455 970658741 /nfs/dbraw/zinc/65/87/41/970658741.db2.gz MLCZOPHOLFDNTJ-UHFFFAOYSA-N 2 0 205.305 1.672 20 0 BDADRP CN1CCC([N@@H+]2CCC[C@@](C)(CO)CC2)CC1 ZINC001256202677 970706007 /nfs/dbraw/zinc/70/60/07/970706007.db2.gz KOTUWNPNDVEBGU-CQSZACIVSA-N 2 0 240.391 1.565 20 0 BDADRP CN1CCC([N@@H+]2CC[C@@]3(CC3(F)F)C2)CC1 ZINC001256207752 970709222 /nfs/dbraw/zinc/70/92/22/970709222.db2.gz SMJDPPIIWJMKIX-LLVKDONJSA-N 2 0 230.302 1.812 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCCN1c1cc2[nH]ccc2c[nH+]1 ZINC001157734371 970755669 /nfs/dbraw/zinc/75/56/69/970755669.db2.gz WBEGSNIMWDREAX-MWLCHTKSSA-N 2 0 230.315 1.879 20 0 BDADRP Cc1ncc(C[NH+]2CCC(F)(C[NH3+])CC2)s1 ZINC001222532354 972545552 /nfs/dbraw/zinc/54/55/52/972545552.db2.gz LBLOERCDSWJTMA-UHFFFAOYSA-N 2 0 243.351 1.714 20 0 BDADRP Cc1cccc(C[NH+]2CCC(F)(C[NH3+])CC2)n1 ZINC001222532941 972553749 /nfs/dbraw/zinc/55/37/49/972553749.db2.gz QBHKBGSLLINQGQ-UHFFFAOYSA-N 2 0 237.322 1.653 20 0 BDADRP Cc1cnc(C[NH+]2CCC(F)(C[NH3+])CC2)cn1 ZINC001222532601 972553854 /nfs/dbraw/zinc/55/38/54/972553854.db2.gz NUGJOUYWXJPZFO-UHFFFAOYSA-N 2 0 238.310 1.048 20 0 BDADRP COc1ccoc1C[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222552321 972562546 /nfs/dbraw/zinc/56/25/46/972562546.db2.gz BJINYOQZHBWRDQ-UHFFFAOYSA-N 2 0 242.294 1.551 20 0 BDADRP CC[C@@H]1C[C@H](N2CCCC[C@H]2C[NH3+])CC[NH2+]1 ZINC001246542459 972579254 /nfs/dbraw/zinc/57/92/54/972579254.db2.gz QNAJKCNNLARMHO-UPJWGTAASA-N 2 0 225.380 1.330 20 0 BDADRP [NH3+]CCCC[NH+]1CCC2(CC(F)(F)CO2)CC1 ZINC001222596048 972599965 /nfs/dbraw/zinc/59/99/65/972599965.db2.gz PBZWZUDVMNQWDN-UHFFFAOYSA-N 2 0 248.317 1.616 20 0 BDADRP C[C@H]1C[C@@H]([N@@H+]2CCC[C@@](F)(C[NH3+])CC2)CC[NH2+]1 ZINC001246545285 972628666 /nfs/dbraw/zinc/62/86/66/972628666.db2.gz ASNPHBOTKZCUNO-AVGNSLFASA-N 3 0 243.370 1.280 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@](F)(C[NH3+])CC2)CCO1 ZINC001246545316 972629535 /nfs/dbraw/zinc/62/95/35/972629535.db2.gz BFXKEIXTBAJZEP-AGIUHOORSA-N 2 0 244.354 1.707 20 0 BDADRP C[C@@H](Cc1ccncc1)[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246546718 972650108 /nfs/dbraw/zinc/65/01/08/972650108.db2.gz NKGJSTIHSGRWQH-GXTWGEPZSA-N 2 0 233.359 1.826 20 0 BDADRP CC[C@@H]1C[C@@H](N2CCC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246548074 972677623 /nfs/dbraw/zinc/67/76/23/972677623.db2.gz QOTPZVITMYTQLG-XQQFMLRXSA-N 2 0 225.380 1.330 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@@H](COC)CC(C)C ZINC001327838381 972753725 /nfs/dbraw/zinc/75/37/25/972753725.db2.gz GHWYAIGLIIKIPT-VXGBXAGGSA-N 2 0 216.369 1.635 20 0 BDADRP C[C@H]1C[C@@H](N2CCC[C@@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246556112 972758722 /nfs/dbraw/zinc/75/87/22/972758722.db2.gz YKIHAHFHOBAKJM-RWMBFGLXSA-N 2 0 225.380 1.330 20 0 BDADRP CSCC[C@@H](C)[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246557316 972770631 /nfs/dbraw/zinc/77/06/31/972770631.db2.gz HUJBSYODJNUIBK-VXGBXAGGSA-N 2 0 246.420 1.304 20 0 BDADRP CC(C)([NH3+])CNc1cccc2c1C[NH2+]CC2 ZINC001171193263 972844847 /nfs/dbraw/zinc/84/48/47/972844847.db2.gz VQPZHAMDSYYBDZ-UHFFFAOYSA-N 2 0 219.332 1.482 20 0 BDADRP C[C@@H]1CCN([C@@H]2CC[NH2+][C@@H](C)C2)C[C@H]1F ZINC001246571827 972856924 /nfs/dbraw/zinc/85/69/24/972856924.db2.gz NHYSDQOENQLTNN-WRWGMCAJSA-N 2 0 214.328 1.807 20 0 BDADRP CC[NH+]1CCN(Cc2ncn3ccccc23)CC1 ZINC001144611249 972885150 /nfs/dbraw/zinc/88/51/50/972885150.db2.gz LKHSUODPYVGWFW-UHFFFAOYSA-N 2 0 244.342 1.472 20 0 BDADRP C[C@@H]1C[N@@H+](C2CCC3(CC[NH2+]C3)CC2)CCN1 ZINC001246577901 972893923 /nfs/dbraw/zinc/89/39/23/972893923.db2.gz UMPXIAQDZSFRSS-IYXRBSQSSA-N 2 0 237.391 1.202 20 0 BDADRP [NH3+]CCC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246582301 972943541 /nfs/dbraw/zinc/94/35/41/972943541.db2.gz WKHHVUUYLDJALT-PBWFPOADSA-N 3 0 237.391 1.330 20 0 BDADRP CC1(C)C[C@H](N2CCCC[C@H](C[NH3+])C2)CC[NH2+]1 ZINC001246581951 972945988 /nfs/dbraw/zinc/94/59/88/972945988.db2.gz LRZIFFKFDJWGQI-CHWSQXEVSA-N 2 0 239.407 1.578 20 0 BDADRP CC1(C)C[C@H](N2CCCC[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC001246581956 972946112 /nfs/dbraw/zinc/94/61/12/972946112.db2.gz LRZIFFKFDJWGQI-QWHCGFSZSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@@H]1CC[C@H](N2C[C@H](C[NH3+])CC[C@@H]2C)C[NH2+]1 ZINC001246587620 972981286 /nfs/dbraw/zinc/98/12/86/972981286.db2.gz HUCIJIYJAWAYTG-VOAKCMCISA-N 2 0 225.380 1.186 20 0 BDADRP CC(C)=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246587556 972986027 /nfs/dbraw/zinc/98/60/27/972986027.db2.gz UUGQLNHHLVIMFV-FRRDWIJNSA-N 2 0 226.364 1.373 20 0 BDADRP CC1(C)CCC[C@@H]([N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)C1 ZINC001246587576 972991124 /nfs/dbraw/zinc/99/11/24/972991124.db2.gz UWFWWDCRMNCIBR-QJPTWQEYSA-N 2 0 226.364 1.207 20 0 BDADRP C[C@H]1C[C@H](N2CCCC[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC001246589916 972992252 /nfs/dbraw/zinc/99/22/52/972992252.db2.gz GNZKRAHJJXCWBR-RWMBFGLXSA-N 2 0 225.380 1.188 20 0 BDADRP CC1(C)CCC[C@H]([N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)C1 ZINC001246587582 972992530 /nfs/dbraw/zinc/99/25/30/972992530.db2.gz UWFWWDCRMNCIBR-SDDRHHMPSA-N 2 0 226.364 1.207 20 0 BDADRP C[C@@H]1C[C@H](N2CC[NH2+]C[C@@H]2c2ccccc2)C[NH2+]1 ZINC001246596286 973007106 /nfs/dbraw/zinc/00/71/06/973007106.db2.gz WILYIDXSSMUXOT-VHDGCEQUSA-N 2 0 245.370 1.383 20 0 BDADRP CCCC[C@@H]1C[C@@H](N2CC(C[NH2+]C)C2)CC[NH2+]1 ZINC001246597576 973013841 /nfs/dbraw/zinc/01/38/41/973013841.db2.gz NOTQDKYNOPQCPJ-KGLIPLIRSA-N 2 0 239.407 1.448 20 0 BDADRP C[NH2+]CC[C@@H](C)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001246604478 973028471 /nfs/dbraw/zinc/02/84/71/973028471.db2.gz TZMXRBQVLAYHLJ-HIFRSBDPSA-N 2 0 247.386 1.631 20 0 BDADRP C1[NH2+][C@H]2CCCN([C@H]3CCC4(C3)CC[NH2+]CC4)[C@@H]12 ZINC001246664554 973076500 /nfs/dbraw/zinc/07/65/00/973076500.db2.gz RYRLRBYOSPXONG-IHRRRGAJSA-N 2 0 249.402 1.345 20 0 BDADRP C[C@@H]1CC[C@@H](N(C)CCC2CC[NH2+]CC2)C[NH2+]1 ZINC001246793171 973096113 /nfs/dbraw/zinc/09/61/13/973096113.db2.gz AYTCWPJTQBMSRY-TZMCWYRMSA-N 2 0 239.407 1.448 20 0 BDADRP CC[C@@H]1C[C@@H](N2CC[NH2+]C[C@H]2CC)CC[NH2+]1 ZINC001246805280 973098983 /nfs/dbraw/zinc/09/89/83/973098983.db2.gz RMTUOPIAHQTXKH-UPJWGTAASA-N 2 0 225.380 1.201 20 0 BDADRP FCCC[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001328493459 973100802 /nfs/dbraw/zinc/10/08/02/973100802.db2.gz VFHXNYFJQMNXLV-UHFFFAOYSA-N 2 0 214.328 1.812 20 0 BDADRP CC[C@@H]1C[C@H](N2CC[NH2+][C@@H](CC)C2)CC[NH2+]1 ZINC001246803112 973103346 /nfs/dbraw/zinc/10/33/46/973103346.db2.gz MJBSPCFNASPDSY-FRRDWIJNSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@]3(CCO3)C2)CC[NH2+]1 ZINC001246828666 973119496 /nfs/dbraw/zinc/11/94/96/973119496.db2.gz FMZWIVPRJVBWCH-JHJVBQTASA-N 2 0 224.348 1.382 20 0 BDADRP C[C@@H]1C[C@@H]([NH+]2CCC(n3cnnc3)CC2)CC[NH2+]1 ZINC001246842223 973153352 /nfs/dbraw/zinc/15/33/52/973153352.db2.gz XMJCXDYBORXXSG-YPMHNXCESA-N 2 0 249.362 1.056 20 0 BDADRP CC1(C)C[C@@H](N2C[C@H]3CC[C@@H](C2)[NH2+]C3)CC[NH2+]1 ZINC001246864115 973181271 /nfs/dbraw/zinc/18/12/71/973181271.db2.gz HZMURUAWCPKTEV-AVGNSLFASA-N 2 0 237.391 1.201 20 0 BDADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CCC(C)C ZINC001146712029 973226029 /nfs/dbraw/zinc/22/60/29/973226029.db2.gz ZRRXJQOYKSKPQT-UHFFFAOYSA-N 2 0 243.395 1.080 20 0 BDADRP CN([C@H]1CCCC[NH2+]C1)[C@@]1(C)CCC[NH2+]C1 ZINC001246909260 973411782 /nfs/dbraw/zinc/41/17/82/973411782.db2.gz HQDAVJSGPOCQSW-STQMWFEESA-N 2 0 225.380 1.202 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC001329022579 973435430 /nfs/dbraw/zinc/43/54/30/973435430.db2.gz FUIGSHKGYDFYLE-VWYCJHECSA-N 2 0 200.326 1.142 20 0 BDADRP CC[NH+](CC)C1CCC([N@H+](C)CCO)CC1 ZINC001246915807 973464284 /nfs/dbraw/zinc/46/42/84/973464284.db2.gz YXSXFVZQFSZCPA-UHFFFAOYSA-N 2 0 228.380 1.564 20 0 BDADRP CCC[C@@H]1C[NH2+]CCN1[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246925032 973557583 /nfs/dbraw/zinc/55/75/83/973557583.db2.gz LBMJYMXSINIVNT-QWHCGFSZSA-N 2 0 239.407 1.591 20 0 BDADRP CC1(C)C[C@H]([N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CO1 ZINC001246940671 973647003 /nfs/dbraw/zinc/64/70/03/973647003.db2.gz JPYUUBHEONDCLB-XQQFMLRXSA-N 2 0 238.375 1.485 20 0 BDADRP C[NH+]1CCC(COC2C[NH+](C(C)(C)C)C2)CC1 ZINC001224450685 973654173 /nfs/dbraw/zinc/65/41/73/973654173.db2.gz OLHPSRUCVNIMGK-UHFFFAOYSA-N 2 0 240.391 1.828 20 0 BDADRP C1C[C@@H](N([C@H]2CC[NH2+]C2)C2CCCCC2)C[NH2+]1 ZINC001246975238 973719067 /nfs/dbraw/zinc/71/90/67/973719067.db2.gz BKUDHOIFHSQIJQ-OKILXGFUSA-N 2 0 237.391 1.345 20 0 BDADRP C[C@H](N)C[N@H+](C)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246979907 973742140 /nfs/dbraw/zinc/74/21/40/973742140.db2.gz GDAXNZFCXLLVHA-LBPRGKRZSA-N 2 0 239.407 1.578 20 0 BDADRP CC[C@@]1(c2nc(C3([NH3+])CCC3)no2)CC[NH2+]C1 ZINC001329410744 973748990 /nfs/dbraw/zinc/74/89/90/973748990.db2.gz OTCQJBRQUICFLO-LLVKDONJSA-N 2 0 236.319 1.049 20 0 BDADRP COC[C@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000234787209 973757514 /nfs/dbraw/zinc/75/75/14/973757514.db2.gz YOOAFENGWDBCRT-LBPRGKRZSA-N 2 0 226.364 1.487 20 0 BDADRP C1=C2[NH2+]CCN([C@@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@@H]2CCC1 ZINC001246991175 973768461 /nfs/dbraw/zinc/76/84/61/973768461.db2.gz AAEIRGVWTFNPJV-QVHKTLOISA-N 2 0 247.386 1.611 20 0 BDADRP C1CN([C@H]2CC[NH2+]C3(CCCCC3)C2)C[NH2+]1 ZINC001246991001 973771369 /nfs/dbraw/zinc/77/13/69/973771369.db2.gz JYOSVRIUPKHJIM-LBPRGKRZSA-N 2 0 223.364 1.304 20 0 BDADRP C[C@@H]1C[C@@H](N2CC(F)(F)CC[C@@H]2C[NH3+])CC[NH2+]1 ZINC001246989551 973778085 /nfs/dbraw/zinc/77/80/85/973778085.db2.gz UFWMPHJDQVXQRG-OUAUKWLOSA-N 2 0 247.333 1.185 20 0 BDADRP [NH3+]CCCCCCNC(=O)[C@H]1CCCCC[NH2+]1 ZINC001329519794 973810104 /nfs/dbraw/zinc/81/01/04/973810104.db2.gz HKOKAGHDFRBIGS-GFCCVEGCSA-N 2 0 241.379 1.154 20 0 BDADRP Cc1c(N)cc[nH+]c1NC[C@H]1CCCC[NH2+]1 ZINC001171327008 973816946 /nfs/dbraw/zinc/81/69/46/973816946.db2.gz BXMUOFYCMARTMQ-SNVBAGLBSA-N 2 0 220.320 1.526 20 0 BDADRP C[C@H](C[NH+](C)C)OC[C@@H]1CCCC[N@@H+]1C ZINC001224701499 973865830 /nfs/dbraw/zinc/86/58/30/973865830.db2.gz GTLCFJMCRWBTCO-NEPJUHHUSA-N 2 0 214.353 1.437 20 0 BDADRP C[NH+]1CCC(OC[C@H]2CCCC[N@@H+]2C)CC1 ZINC001224701044 973866560 /nfs/dbraw/zinc/86/65/60/973866560.db2.gz CGGOWKVAMITLOQ-GFCCVEGCSA-N 2 0 226.364 1.582 20 0 BDADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1CCCCC[NH2+]1 ZINC001329946602 974046780 /nfs/dbraw/zinc/04/67/80/974046780.db2.gz VGWDXZWSBUZTRI-VXGBXAGGSA-N 2 0 241.379 1.008 20 0 BDADRP N[C@@H]1C[C@H]1[NH2+][C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171462353 974075812 /nfs/dbraw/zinc/07/58/12/974075812.db2.gz GWZGIEBGNUZYRT-OASPWFOLSA-N 2 0 238.281 1.511 20 0 BDADRP C[C@@H](C[NH+](C)C)OCCCC[NH+](C)C ZINC001224991170 974102713 /nfs/dbraw/zinc/10/27/13/974102713.db2.gz NQPJCVZYQMRUQH-NSHDSACASA-N 2 0 202.342 1.295 20 0 BDADRP C[NH+](C)CCCCO[C@@H]1CC[N@H+](C)C1 ZINC001224991981 974122624 /nfs/dbraw/zinc/12/26/24/974122624.db2.gz GVAZBJTZXALGDQ-LLVKDONJSA-N 2 0 200.326 1.049 20 0 BDADRP C[C@@H]1C[C@@H](NC=[NH2+])C[N@@H+]1Cc1ccccc1 ZINC001171726000 974143671 /nfs/dbraw/zinc/14/36/71/974143671.db2.gz REHHBMWYLDEBIP-DGCLKSJQSA-N 2 0 217.316 1.846 20 0 BDADRP [NH3+]C1CC([NH2+][C@H]2Cc3cccc(F)c3C2)C1 ZINC001171783356 974171124 /nfs/dbraw/zinc/17/11/24/974171124.db2.gz PGUPAORHACQCJN-YVNMAJEFSA-N 2 0 220.291 1.372 20 0 BDADRP CCN1CC[C@H]([N@H+](CCC[NH3+])C(C)C)CC1=O ZINC001172024117 974283257 /nfs/dbraw/zinc/28/32/57/974283257.db2.gz VEGWLCORNBXHOW-LBPRGKRZSA-N 2 0 241.379 1.057 20 0 BDADRP C[NH2+][C@H](C)CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001330579042 974334386 /nfs/dbraw/zinc/33/43/86/974334386.db2.gz VTGMIBZGJWQUQJ-LLVKDONJSA-N 2 0 243.395 1.079 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@@H]1CCCO1)C2 ZINC001172098917 974336449 /nfs/dbraw/zinc/33/64/49/974336449.db2.gz DMEVEQNBQARPAG-CRWXNKLISA-N 2 0 238.375 1.770 20 0 BDADRP C[N@@H+]1CC[C@@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172098340 974340414 /nfs/dbraw/zinc/34/04/14/974340414.db2.gz CBNXOANEULJXOW-SYQHCUMBSA-N 2 0 237.391 1.295 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(O)CC1)C2 ZINC001172100140 974345024 /nfs/dbraw/zinc/34/50/24/974345024.db2.gz PKPIRORGHHLUEI-CNDDSTCGSA-N 2 0 224.348 1.116 20 0 BDADRP C[C@@H](CO)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172104945 974367201 /nfs/dbraw/zinc/36/72/01/974367201.db2.gz GUXOYGLZGFKDEU-LPWJVIDDSA-N 2 0 226.364 1.220 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1C[C@@H](O)[C@@H](F)C1)C2 ZINC001172116872 974385525 /nfs/dbraw/zinc/38/55/25/974385525.db2.gz DMSXHZHQTIHLJY-FPYNETTCSA-N 2 0 242.338 1.016 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC3(COC3)C1)C2 ZINC001172113218 974385665 /nfs/dbraw/zinc/38/56/65/974385665.db2.gz HPUKOIMPIXAPLD-CLLJXQQHSA-N 2 0 236.359 1.334 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@@H]3C[C@@H]3C1)C2 ZINC001172121122 974388493 /nfs/dbraw/zinc/38/84/93/974388493.db2.gz PEFDWIARBNEUKG-KCLGILNXSA-N 2 0 220.360 1.953 20 0 BDADRP CO[C@H]1CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172121415 974388563 /nfs/dbraw/zinc/38/85/63/974388563.db2.gz QBYHINBYAJUVRK-DGAVXFQQSA-N 2 0 238.375 1.722 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172219709 974448595 /nfs/dbraw/zinc/44/85/95/974448595.db2.gz LIQQJSMWEZVUCM-FUDCBSFHSA-N 2 0 238.375 1.770 20 0 BDADRP C[N@@H+]1CC[C@@H](C[NH2+]C2C[C@@H]3C=C[C@H](C2)O3)C1 ZINC001172229223 974468451 /nfs/dbraw/zinc/46/84/51/974468451.db2.gz SFEWWEMJJMXRAN-WODVXLOZSA-N 2 0 222.332 1.014 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172231799 974473217 /nfs/dbraw/zinc/47/32/17/974473217.db2.gz ZBRVGMOZOBOTPV-CPIKKWJDSA-N 2 0 236.359 1.546 20 0 BDADRP C[NH+](C)CCC(C)(C)[NH2+][C@@H]1COC(C)(C)C1 ZINC001172276676 974492827 /nfs/dbraw/zinc/49/28/27/974492827.db2.gz MGDCXIFANMVIOX-NSHDSACASA-N 2 0 228.380 1.874 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+](C3C[C@@H]4C=C[C@H](C3)O4)C2)C1 ZINC001172244506 974511325 /nfs/dbraw/zinc/51/13/25/974511325.db2.gz OJZPQQXABZHLQM-DKUMPPAJSA-N 2 0 248.370 1.500 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+]([C@@H]3COC(C)(C)C3)C[C@@H]2C1 ZINC001172284181 974546143 /nfs/dbraw/zinc/54/61/43/974546143.db2.gz PNSUXFSKWJGEJU-AGIUHOORSA-N 2 0 238.375 1.437 20 0 BDADRP CC[N@H+]1C[C@@H]2C[NH+]([C@@H]3COC(C)(C)C3)C[C@@H]2C1 ZINC001172294564 974565249 /nfs/dbraw/zinc/56/52/49/974565249.db2.gz MXQQOZUIEVDWNN-XQQFMLRXSA-N 2 0 238.375 1.437 20 0 BDADRP C[C@@H]1CC[C@H](NC(=[NH2+])NCCCC[NH3+])C[C@H]1C ZINC001172360774 974633606 /nfs/dbraw/zinc/63/36/06/974633606.db2.gz XBCBNVZIVLTXMR-UTUOFQBUSA-N 2 0 240.395 1.664 20 0 BDADRP CC(C)([NH3+])CCNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC001331392946 974706810 /nfs/dbraw/zinc/70/68/10/974706810.db2.gz NHGWRGLGNGEGJL-ZWNOBZJWSA-N 2 0 241.379 1.138 20 0 BDADRP C[NH2+][C@@H](C)CC[NH2+]C[C@H]1CCSC1 ZINC001331419970 974712512 /nfs/dbraw/zinc/71/25/12/974712512.db2.gz SUSNKQMPEKDSMN-VHSXEESVSA-N 2 0 202.367 1.327 20 0 BDADRP CCCC(N)=NOCCN1C[C@H]2CC[C@@H](C1)O2 ZINC001331476079 974737086 /nfs/dbraw/zinc/73/70/86/974737086.db2.gz OHJWWTGGCUEZJQ-PHIMTYICSA-N 2 0 241.335 1.148 20 0 BDADRP [NH3+]C[C@@H](O)C[NH2+][C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172538191 974876697 /nfs/dbraw/zinc/87/66/97/974876697.db2.gz MNWPFKDTKVVVTD-QLFBSQMISA-N 2 0 248.370 1.622 20 0 BDADRP [NH3+]CCCCCCC[N@@H+]1C2CCC1(CO)CC2 ZINC001331966453 974895712 /nfs/dbraw/zinc/89/57/12/974895712.db2.gz SREBTEHIVAHRIO-UHFFFAOYSA-N 2 0 240.391 1.885 20 0 BDADRP C[NH2+]CCNc1ccc2[nH]c(C)[nH+]c2c1 ZINC000258741709 974958403 /nfs/dbraw/zinc/95/84/03/974958403.db2.gz LAAWTBRXWQYPKA-UHFFFAOYSA-N 2 0 204.277 1.503 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC001172924655 974971861 /nfs/dbraw/zinc/97/18/61/974971861.db2.gz XBFLSVBUTRCPKP-RVMXOQNASA-N 2 0 226.364 1.804 20 0 BDADRP CO[C@@H]1CCC[C@H]([N@H+](C)CCC[NH+](C)C)C1 ZINC001172929562 974980430 /nfs/dbraw/zinc/98/04/30/974980430.db2.gz FYCBPKSZHFBJAL-QWHCGFSZSA-N 2 0 228.380 1.828 20 0 BDADRP CC(C)[N@@H+]1CCC[C@H](Oc2cc[nH+]c(N)c2)C1 ZINC001226654000 974999728 /nfs/dbraw/zinc/99/97/28/974999728.db2.gz VXYFLZGQFHWKPP-LBPRGKRZSA-N 2 0 235.331 1.915 20 0 BDADRP CC[NH+](CC)C1CCC([NH2+]CC(C)=O)CC1 ZINC001173101307 975021666 /nfs/dbraw/zinc/02/16/66/975021666.db2.gz FYUKMIKFZOHJDB-UHFFFAOYSA-N 2 0 226.364 1.818 20 0 BDADRP CC[NH+](CC)C1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001173108830 975026391 /nfs/dbraw/zinc/02/63/91/975026391.db2.gz RNRUMPWCWCFSEQ-JXQTWKCFSA-N 2 0 240.391 1.706 20 0 BDADRP C[NH+](C)CCC[NH2+][C@H]1CCc2ncsc2C1 ZINC001173120814 975029650 /nfs/dbraw/zinc/02/96/50/975029650.db2.gz IAVWLOLCVBBEDY-JTQLQIEISA-N 2 0 239.388 1.542 20 0 BDADRP C[C@H]([NH3+])CC[NH2+]C1CCN(CC(F)F)CC1 ZINC001332258980 975031987 /nfs/dbraw/zinc/03/19/87/975031987.db2.gz SXHGDMHNFZSFDN-VIFPVBQESA-N 2 0 235.322 1.043 20 0 BDADRP C[C@H](C[NH3+])C[N@H+](C)[C@H]1CCc2ncsc2C1 ZINC001173131947 975040705 /nfs/dbraw/zinc/04/07/05/975040705.db2.gz NRUATEIRGRDQBF-ZJUUUORDSA-N 2 0 239.388 1.527 20 0 BDADRP CCSC[C@@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC001173298531 975187114 /nfs/dbraw/zinc/18/71/14/975187114.db2.gz MHLGPPPBYBIJKL-VWYCJHECSA-N 2 0 216.394 1.988 20 0 BDADRP CC[N@@H+]1CC[C@H](n2ccc3cc(C[NH3+])cnc32)C1 ZINC001173352497 975299279 /nfs/dbraw/zinc/29/92/79/975299279.db2.gz NSIAXSUJFABWQZ-ZDUSSCGKSA-N 2 0 244.342 1.762 20 0 BDADRP CCN1CC[C@H]([NH2+]CCCCC[NH+](C)C)C1 ZINC001173351716 975300086 /nfs/dbraw/zinc/30/00/86/975300086.db2.gz YICPNSKUAUKFKU-ZDUSSCGKSA-N 2 0 227.396 1.402 20 0 BDADRP CC[N@@H+]1CC[C@@H](N2CCC([NH+](C)C)CC2)C1 ZINC001173357597 975319050 /nfs/dbraw/zinc/31/90/50/975319050.db2.gz PLVOJAAFTNLIIV-CYBMUJFWSA-N 2 0 225.380 1.107 20 0 BDADRP CCCc1cc(C[NH3+])nn1[C@@H]1CC[N@H+](CC)C1 ZINC001173361693 975334095 /nfs/dbraw/zinc/33/40/95/975334095.db2.gz VQWBYDZVSQYJFB-CYBMUJFWSA-N 2 0 236.363 1.561 20 0 BDADRP CC[N@@H+]1CC[C@@H](N2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001173362968 975339454 /nfs/dbraw/zinc/33/94/54/975339454.db2.gz KLSBEZLUVPXINK-CHWSQXEVSA-N 2 0 225.380 1.107 20 0 BDADRP CC[N@@H+]1CC[C@H](N2CCC[C@@H]3C[NH+](C)C[C@@H]32)C1 ZINC001173366101 975344097 /nfs/dbraw/zinc/34/40/97/975344097.db2.gz WKHNJRAMNNHFQD-RDBSUJKOSA-N 2 0 237.391 1.107 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CC[C@H]3[C@@H](C2)C3(F)F)CC1 ZINC001206205448 975425220 /nfs/dbraw/zinc/42/52/20/975425220.db2.gz QBUWDVSMFSGZBM-NWDGAFQWSA-N 2 0 244.329 1.915 20 0 BDADRP CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]C[C@@H](C)C[NH3+])C1 ZINC001173649679 975513893 /nfs/dbraw/zinc/51/38/93/975513893.db2.gz HOVAHLVRTNLCFM-QJPTWQEYSA-N 2 0 242.363 1.293 20 0 BDADRP CN1CCC[C@@H]2[C@H]1CC[N@@H+]2CC[C@@H]1CCOC1 ZINC001333487481 975810872 /nfs/dbraw/zinc/81/08/72/975810872.db2.gz HZQHGFXPQLZLHZ-MGPQQGTHSA-N 2 0 238.375 1.582 20 0 BDADRP C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C[C@H]1CCC[NH2+]C1 ZINC001333529111 975831395 /nfs/dbraw/zinc/83/13/95/975831395.db2.gz LHCRFTUIMAQRIK-RVMXOQNASA-N 2 0 225.380 1.057 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CC[C@@H](CF)C2)CC1 ZINC001333855753 976121464 /nfs/dbraw/zinc/12/14/64/976121464.db2.gz YAHXBTZRGAMPLM-LBPRGKRZSA-N 2 0 214.328 1.620 20 0 BDADRP CCc1onc(C)c1CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001335507545 977106367 /nfs/dbraw/zinc/10/63/67/977106367.db2.gz WLWRZMVKJYBJLH-TXEJJXNPSA-N 2 0 249.358 1.539 20 0 BDADRP C[N@@H+]1CC[C@@H](Oc2ccc3[nH]c(N)[nH+]c3c2)C1 ZINC001230508480 977225473 /nfs/dbraw/zinc/22/54/73/977225473.db2.gz WKYRUMKEDKOKRF-SECBINFHSA-N 2 0 232.287 1.228 20 0 BDADRP C[N@@H+]1CC[C@H](Oc2ccc3[nH]c(N)[nH+]c3c2)C1 ZINC001230508481 977228965 /nfs/dbraw/zinc/22/89/65/977228965.db2.gz WKYRUMKEDKOKRF-VIFPVBQESA-N 2 0 232.287 1.228 20 0 BDADRP [NH3+]CC1CCC([NH2+]Cc2ncccn2)CC1 ZINC001335857068 977330982 /nfs/dbraw/zinc/33/09/82/977330982.db2.gz AQSJEZPMIRCELE-UHFFFAOYSA-N 2 0 220.320 1.084 20 0 BDADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C[C@H](O)C1CC1 ZINC001335930575 977371161 /nfs/dbraw/zinc/37/11/61/977371161.db2.gz VEDGFGRYZUBFKH-JSGCOSHPSA-N 2 0 240.391 1.611 20 0 BDADRP CC[NH+](CC)CCCC[NH2+][C@@H](C)[C@@H](C)O ZINC001335943994 977376840 /nfs/dbraw/zinc/37/68/40/977376840.db2.gz ZYRRALGZKFJOFF-NWDGAFQWSA-N 2 0 216.369 1.467 20 0 BDADRP OC[C@@H]1CCC[N@@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232011495 977839149 /nfs/dbraw/zinc/83/91/49/977839149.db2.gz DNVOJJSFYSMRFB-LBPRGKRZSA-N 2 0 231.299 1.520 20 0 BDADRP CC(=O)[C@@H]1CC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232015137 977843156 /nfs/dbraw/zinc/84/31/56/977843156.db2.gz BKURNAODVHYAOP-LLVKDONJSA-N 2 0 243.310 1.974 20 0 BDADRP CC[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC001206273248 978087521 /nfs/dbraw/zinc/08/75/21/978087521.db2.gz QLDBNSRKAWLXMQ-UHFFFAOYSA-N 2 0 200.326 1.049 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@H+](C[C@H]2CCOC2)CC1 ZINC001206292431 978282199 /nfs/dbraw/zinc/28/21/99/978282199.db2.gz ALULPKQHVUDIQN-OLZOCXBDSA-N 2 0 226.364 1.474 20 0 BDADRP Cc1cc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)[nH]n1 ZINC001206292448 978282465 /nfs/dbraw/zinc/28/24/65/978282465.db2.gz AXKZNCGRFYNHFI-ZDUSSCGKSA-N 2 0 236.363 1.669 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@H+](C[C@H]2CCOC2)CC1 ZINC001206292430 978283660 /nfs/dbraw/zinc/28/36/60/978283660.db2.gz ALULPKQHVUDIQN-CHWSQXEVSA-N 2 0 226.364 1.474 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cc[nH]n2)CC1 ZINC001206292844 978288993 /nfs/dbraw/zinc/28/89/93/978288993.db2.gz DRSQNZXNHHGXKF-GFCCVEGCSA-N 2 0 222.336 1.361 20 0 BDADRP COC(=O)[C@H](C)C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206292613 978290023 /nfs/dbraw/zinc/29/00/23/978290023.db2.gz CXBYQTQTKJOCRW-YPMHNXCESA-N 2 0 242.363 1.246 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2ccc[nH]2)CC1 ZINC001206295852 978298205 /nfs/dbraw/zinc/29/82/05/978298205.db2.gz ODEUUJZNWMNENA-ZDUSSCGKSA-N 2 0 221.348 1.966 20 0 BDADRP C(CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C[NH+]1CCCC1 ZINC000328469061 978372040 /nfs/dbraw/zinc/37/20/40/978372040.db2.gz YSRGOYHMATWARP-LXFSFDBISA-N 2 0 249.402 1.058 20 0 BDADRP CC(C)[N@@H+]1CCC[C@H](OCC[NH+]2CCCC2)C1 ZINC001206308659 978411624 /nfs/dbraw/zinc/41/16/24/978411624.db2.gz FWSSOSBKDXGXEN-AWEZNQCLSA-N 2 0 240.391 1.972 20 0 BDADRP C[NH+](C)C1(CNc2cc[nH+]cc2)CCOCC1 ZINC001337638141 978439577 /nfs/dbraw/zinc/43/95/77/978439577.db2.gz VIVYOBMMFZKPGF-UHFFFAOYSA-N 2 0 235.331 1.026 20 0 BDADRP CC[C@H](CNc1cc[nH+]cc1)[NH+]1CCCC1 ZINC001337726389 978473707 /nfs/dbraw/zinc/47/37/07/978473707.db2.gz HRDLMGZBEVPVSX-CYBMUJFWSA-N 2 0 219.332 1.790 20 0 BDADRP NC[C@]1(F)CCCC[N@H+](CCC2CC2)C1 ZINC001206337322 978602012 /nfs/dbraw/zinc/60/20/12/978602012.db2.gz TTXKQTBUQUVJBW-GFCCVEGCSA-N 2 0 214.328 1.939 20 0 BDADRP CC(C)(C)[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)C2CC2)C1 ZINC001338491143 978694665 /nfs/dbraw/zinc/69/46/65/978694665.db2.gz FHTXRBVIIAXTDS-YPMHNXCESA-N 2 0 240.391 1.467 20 0 BDADRP CC(C)CC[C@H](O)C[NH2+]CC1=CC[N@H+](C)CC1 ZINC001338488707 978695964 /nfs/dbraw/zinc/69/59/64/978695964.db2.gz OEFXLRWHOBNWLT-AWEZNQCLSA-N 2 0 240.391 1.635 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](C)C2)CCO1 ZINC000069863045 978765756 /nfs/dbraw/zinc/76/57/56/978765756.db2.gz FTXWAEUYJYVBPD-RWMBFGLXSA-N 2 0 226.364 1.485 20 0 BDADRP [NH3+][C@H](CN1C[C@H](F)C[C@H]([NH3+])C1)c1ccccc1 ZINC001206403837 978778469 /nfs/dbraw/zinc/77/84/69/978778469.db2.gz JWTQTKPBULJNQD-FRRDWIJNSA-N 2 0 237.322 1.058 20 0 BDADRP CC(C)C[C@@H](C[NH3+])NC(=O)c1ccccc1C[NH3+] ZINC001339716994 978898355 /nfs/dbraw/zinc/89/83/55/978898355.db2.gz WXBXCQFXNRPUHD-LBPRGKRZSA-N 2 0 249.358 1.249 20 0 BDADRP [NH3+]Cc1ccc(CN2C[C@@H]([NH3+])C[C@H](F)C2)cc1 ZINC001206425555 978928269 /nfs/dbraw/zinc/92/82/69/978928269.db2.gz WNGMYHWIROSQOR-STQMWFEESA-N 2 0 237.322 1.016 20 0 BDADRP c1cc(CN2CC[C@H]3C[NH2+]C[C@H]32)cc2c1C[NH2+]C2 ZINC001235004816 978948909 /nfs/dbraw/zinc/94/89/09/978948909.db2.gz CWUFYRLWOOAKER-DZGCQCFKSA-N 2 0 243.354 1.084 20 0 BDADRP C[C@@H]([NH3+])CN1C[C@@H]2C(=O)Nc3ccccc3[C@H]2C1 ZINC001235008299 978950896 /nfs/dbraw/zinc/95/08/96/978950896.db2.gz RDPOXBAZLGNBPO-JLLWLGSASA-N 2 0 245.326 1.001 20 0 BDADRP C[NH+]1CCC(C)(CN2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001235037498 978958869 /nfs/dbraw/zinc/95/88/69/978958869.db2.gz HEYWTRSCHQUYOZ-QWHCGFSZSA-N 2 0 237.391 1.155 20 0 BDADRP c1[nH+]cn2c1cccc2CN1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235049136 978962642 /nfs/dbraw/zinc/96/26/42/978962642.db2.gz SUAGDJHJCREFCI-UONOGXRCSA-N 2 0 242.326 1.271 20 0 BDADRP C(C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1)C1CCCC1 ZINC001235052501 978963958 /nfs/dbraw/zinc/96/39/58/978963958.db2.gz GLKAOAWGPMZCDR-CQSZACIVSA-N 2 0 237.391 1.204 20 0 BDADRP [NH3+][C@H](CN1CCC[C@]12CC[NH2+]C2)c1ccccc1 ZINC001235111787 978977190 /nfs/dbraw/zinc/97/71/90/978977190.db2.gz VQNZWKDQHMTYDL-HUUCEWRRSA-N 2 0 245.370 1.514 20 0 BDADRP [NH3+]C12CC(CN3CCCC[C@@]34CC[NH2+]C4)(C1)C2 ZINC001235122733 978979617 /nfs/dbraw/zinc/97/96/17/978979617.db2.gz ILAWJVOAXXIASP-RUXDESIVSA-N 2 0 235.375 1.086 20 0 BDADRP C[NH2+]CCN1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235150941 978982268 /nfs/dbraw/zinc/98/22/68/978982268.db2.gz BKUIWIBMFHZVDJ-CYBMUJFWSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@@H](N)C[N@@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235151321 978982524 /nfs/dbraw/zinc/98/25/24/978982524.db2.gz GEIBBWIYYJAJNH-DGCLKSJQSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@H]([NH3+])CN1CCC2(CC(F)C2)CC1 ZINC001235135869 978982796 /nfs/dbraw/zinc/98/27/96/978982796.db2.gz QWDBFQHTFSQAII-SECBINFHSA-N 2 0 200.301 1.548 20 0 BDADRP [NH3+]Cc1ccc(CN2CC[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001235155558 978983505 /nfs/dbraw/zinc/98/35/05/978983505.db2.gz IKBKIJIDSAGJEC-UONOGXRCSA-N 2 0 231.343 1.068 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC001235187028 978992291 /nfs/dbraw/zinc/99/22/91/978992291.db2.gz QTIHBMLFCXLJKS-GFCCVEGCSA-N 2 0 212.337 1.228 20 0 BDADRP C(CN1C[C@H]2CCC[NH2+][C@H]2C1)[C@H]1CCC[NH2+]C1 ZINC001235209205 978996245 /nfs/dbraw/zinc/99/62/45/978996245.db2.gz JEMSROVXDSJPIQ-MCIONIFRSA-N 2 0 237.391 1.060 20 0 BDADRP [NH3+][C@@H]1[C@H]2CN(CCC[NH2+]C3CCCCC3)C[C@H]21 ZINC001235211068 979000927 /nfs/dbraw/zinc/00/09/27/979000927.db2.gz UCJZBSJYZJPLTM-WDNDVIMCSA-N 2 0 237.391 1.188 20 0 BDADRP C(C[NH2+]C1CCCCC1)CN1CC[NH2+][C@@H]2C[C@@H]21 ZINC001235284366 979017664 /nfs/dbraw/zinc/01/76/64/979017664.db2.gz LKYPIBDABOLHSB-KGLIPLIRSA-N 2 0 237.391 1.345 20 0 BDADRP CC[NH2+]CCN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235429518 979042055 /nfs/dbraw/zinc/04/20/55/979042055.db2.gz YVUUKJZTYFOUQF-ZIAGYGMSSA-N 2 0 239.407 1.308 20 0 BDADRP CC(C)[C@@H]1C[NH2+]CCN1CC1(F)CC[NH2+]CC1 ZINC001235453093 979050374 /nfs/dbraw/zinc/05/03/74/979050374.db2.gz RQEXTTJUWDUEMZ-LBPRGKRZSA-N 2 0 243.370 1.008 20 0 BDADRP CC(C)[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)CCN1 ZINC001235472832 979053338 /nfs/dbraw/zinc/05/33/38/979053338.db2.gz MFMVSMGECQVDAH-AWEZNQCLSA-N 2 0 239.407 1.306 20 0 BDADRP CC(C)[C@@H]1CN(CC[C@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001235471003 979053369 /nfs/dbraw/zinc/05/33/69/979053369.db2.gz MGUOJFKWUKENDO-KGLIPLIRSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H]([NH3+])CN1CC[C@@H](O)[C@@H]1Cc1ccccc1 ZINC001235554630 979097102 /nfs/dbraw/zinc/09/71/02/979097102.db2.gz KSBCFACBQBDMIP-FPMFFAJLSA-N 2 0 234.343 1.012 20 0 BDADRP CCCCCC[NH+]1CCN(C[C@H](C)[NH3+])CC1 ZINC001235692795 979122530 /nfs/dbraw/zinc/12/25/30/979122530.db2.gz SVWULBUPCVGNHD-ZDUSSCGKSA-N 2 0 227.396 1.532 20 0 BDADRP C[NH2+]C[C@H](C)C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001340883363 979139285 /nfs/dbraw/zinc/13/92/85/979139285.db2.gz ZUEVEHGHZZPZTN-VIFPVBQESA-N 2 0 233.315 1.084 20 0 BDADRP CN(CC1CC2(C1)CC[NH2+]CC2)[C@H]1CC[NH2+]C1 ZINC001235734355 979141173 /nfs/dbraw/zinc/14/11/73/979141173.db2.gz BDUFTLXXZVZLLZ-ZDUSSCGKSA-N 2 0 237.391 1.060 20 0 BDADRP CC[C@H]1C[NH2+]CCN1C[C@@H]([NH3+])c1ccccc1 ZINC001235768808 979143165 /nfs/dbraw/zinc/14/31/65/979143165.db2.gz MKLYBSRWPPDAJS-UONOGXRCSA-N 2 0 233.359 1.370 20 0 BDADRP CC[C@H]1C[NH2+]CCN1C[C@H]([NH3+])Cc1ccccc1 ZINC001235769714 979143453 /nfs/dbraw/zinc/14/34/53/979143453.db2.gz WNZXFWYSVZJAMJ-CABCVRRESA-N 2 0 247.386 1.240 20 0 BDADRP CC1(C)CN(CC[C@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001235833837 979164160 /nfs/dbraw/zinc/16/41/60/979164160.db2.gz SFIMNQFECBPPHA-GFCCVEGCSA-N 2 0 225.380 1.202 20 0 BDADRP C[C@@H]([NH3+])CN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC001235839954 979168089 /nfs/dbraw/zinc/16/80/89/979168089.db2.gz IQCWUUIWQWMYDG-SNPRPXQTSA-N 2 0 245.370 1.292 20 0 BDADRP CC[NH2+]CCN1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001235859275 979172767 /nfs/dbraw/zinc/17/27/67/979172767.db2.gz MJOOTBQTIGLTTI-CQSZACIVSA-N 2 0 233.359 1.242 20 0 BDADRP CC[C@@H]([NH3+])CN1CC[NH2+][C@H](c2ccccc2)C1 ZINC001235857972 979175384 /nfs/dbraw/zinc/17/53/84/979175384.db2.gz BZGSMUOYLFFKNJ-KGLIPLIRSA-N 2 0 233.359 1.370 20 0 BDADRP Cc1ccc2[nH]c(CN(CC[NH3+])CC[NH3+])cc2c1 ZINC001235877834 979176974 /nfs/dbraw/zinc/17/69/74/979176974.db2.gz VZUPPUZXJYAXOG-UHFFFAOYSA-N 2 0 246.358 1.196 20 0 BDADRP CC(C)C[C@H]1CN(C[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001235878619 979178706 /nfs/dbraw/zinc/17/87/06/979178706.db2.gz OGDIUPJDNYNWFA-KGLIPLIRSA-N 2 0 239.407 1.306 20 0 BDADRP [NH3+]CC[C@@H]1CCCN1CC[C@H]1CCCC[NH2+]1 ZINC001235925291 979208364 /nfs/dbraw/zinc/20/83/64/979208364.db2.gz PYTRIMMAJDJMPM-OLZOCXBDSA-N 2 0 225.380 1.332 20 0 BDADRP CC(C)[C@@H]1COCC[N@@H+]1CCCC[NH3+] ZINC001235940591 979213028 /nfs/dbraw/zinc/21/30/28/979213028.db2.gz VGAHOBJMZDFZBZ-NSHDSACASA-N 2 0 200.326 1.082 20 0 BDADRP CN(C[C@@H]([NH3+])c1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC001235951805 979220676 /nfs/dbraw/zinc/22/06/76/979220676.db2.gz TYMZHSBRMWYLFH-UKRRQHHQSA-N 2 0 247.386 1.618 20 0 BDADRP CC(C)N(CC[NH3+])Cc1ccc2c(c1)CC[NH2+]C2 ZINC001235947438 979222769 /nfs/dbraw/zinc/22/27/69/979222769.db2.gz BWJRHAGNBNBYHQ-UHFFFAOYSA-N 2 0 247.386 1.501 20 0 BDADRP [NH3+][C@]12CC[C@@H]1C[N@H+](C[C@H]1C[C@H]3C=C[C@@H]1C3)C2 ZINC001235978309 979248027 /nfs/dbraw/zinc/24/80/27/979248027.db2.gz KGHMBXGVGPZUQB-MRTXSQPYSA-N 2 0 218.344 1.622 20 0 BDADRP [NH3+][C@]12CC[C@@H]1C[N@H+](CC1CCCCC1)C2 ZINC001235981822 979263008 /nfs/dbraw/zinc/26/30/08/979263008.db2.gz XSJIHKYGKLXMJI-OLZOCXBDSA-N 2 0 208.349 1.990 20 0 BDADRP [NH3+]Cc1ccccc1C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC001341340723 979343761 /nfs/dbraw/zinc/34/37/61/979343761.db2.gz FRXWSTBLUUHIQO-PWSUYJOCSA-N 2 0 247.342 1.003 20 0 BDADRP CCC(CC)(C[NH3+])C(=O)N[C@@H](C[NH3+])CC(C)C ZINC001341361883 979357077 /nfs/dbraw/zinc/35/70/77/979357077.db2.gz CZCCXUNMPPOCOX-LLVKDONJSA-N 2 0 243.395 1.241 20 0 BDADRP C[C@H]1CN(CC[C@H]2CCCC[NH2+]2)[C@@H](C)C[NH2+]1 ZINC001236079448 979358397 /nfs/dbraw/zinc/35/83/97/979358397.db2.gz SNDYERFYWRVMGI-RWMBFGLXSA-N 2 0 225.380 1.201 20 0 BDADRP C[NH2+][C@H]1CCN1CCC[NH2+]C1CCCCC1 ZINC001236166200 979420138 /nfs/dbraw/zinc/42/01/38/979420138.db2.gz IEYKNJIBZLEKKM-CYBMUJFWSA-N 2 0 225.380 1.550 20 0 BDADRP C[NH2+][C@@H]1CCN1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001236167316 979420614 /nfs/dbraw/zinc/42/06/14/979420614.db2.gz QJBZVGUIAXJZGW-AWEZNQCLSA-N 2 0 231.343 1.084 20 0 BDADRP CCC[C@H]1CN(CC[C@@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001236177028 979435138 /nfs/dbraw/zinc/43/51/38/979435138.db2.gz QEFLZGHIGYNVQB-KBPBESRZSA-N 2 0 239.407 1.593 20 0 BDADRP CN(CC[C@H]1CCCC[NH2+]1)[C@]1(C)CCC[NH2+]C1 ZINC001236202265 979450414 /nfs/dbraw/zinc/45/04/14/979450414.db2.gz PLNHYWGCNATYNO-ZIAGYGMSSA-N 2 0 239.407 1.593 20 0 BDADRP CN(C[C@@H]1CCCC[NH2+]1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236212475 979452274 /nfs/dbraw/zinc/45/22/74/979452274.db2.gz LXUKCERODHMOHN-AVGNSLFASA-N 2 0 225.380 1.330 20 0 BDADRP CN(C[C@H]1CCCC[NH2+]1)C1(C)CC[NH2+]CC1 ZINC001236222954 979453600 /nfs/dbraw/zinc/45/36/00/979453600.db2.gz KOLZKRLWYLXWEQ-GFCCVEGCSA-N 2 0 225.380 1.202 20 0 BDADRP Nc1ccc2c(c1)C[N@@H+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC001236233155 979458348 /nfs/dbraw/zinc/45/83/48/979458348.db2.gz PJQVIKQSDRFPQQ-GFCCVEGCSA-N 2 0 245.370 1.627 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)N(C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001236236996 979460004 /nfs/dbraw/zinc/46/00/04/979460004.db2.gz NXJNWPPRCHIGJZ-TZMCWYRMSA-N 2 0 237.391 1.202 20 0 BDADRP CN(CC(C)(C)C[NH+](C)C)C(=O)CC(C)(C)[NH3+] ZINC001341609187 979487267 /nfs/dbraw/zinc/48/72/67/979487267.db2.gz WWAKPYGANAFOEW-UHFFFAOYSA-N 2 0 243.395 1.160 20 0 BDADRP C[C@@H](C(=O)Nc1ccccc1C[NH3+])[C@H](C)[NH3+] ZINC001341671983 979517207 /nfs/dbraw/zinc/51/72/07/979517207.db2.gz WGRZSPYWILRYAT-BDAKNGLRSA-N 2 0 221.304 1.067 20 0 BDADRP Cc1nc[nH]c1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236315524 979528820 /nfs/dbraw/zinc/52/88/20/979528820.db2.gz KFNWJUHESNXBJP-TXEJJXNPSA-N 2 0 234.347 1.150 20 0 BDADRP C[C@@H]1C[C@H](C(=O)Nc2ccc(C[NH3+])cc2)CC[NH2+]1 ZINC001341749445 979541391 /nfs/dbraw/zinc/54/13/91/979541391.db2.gz CQAIZBIAEHAHPS-ZYHUDNBSSA-N 2 0 247.342 1.472 20 0 BDADRP CC[N@H+](CCCCCO)C[C@H]1CC[NH2+]C1 ZINC001236409205 979582776 /nfs/dbraw/zinc/58/27/76/979582776.db2.gz YWACHSNUJXFASZ-LBPRGKRZSA-N 2 0 214.353 1.080 20 0 BDADRP C[C@@H]1[C@@H]([NH3+])CCCN1CC[C@@H]1CCCC[NH2+]1 ZINC001236415642 979585712 /nfs/dbraw/zinc/58/57/12/979585712.db2.gz PFSXMXQDORBGNM-AGIUHOORSA-N 2 0 225.380 1.330 20 0 BDADRP CC[NH+](CC)CC[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C ZINC001341948549 979593518 /nfs/dbraw/zinc/59/35/18/979593518.db2.gz AXPBCZHOKWPMMN-RYUDHWBXSA-N 2 0 243.395 1.206 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)NC(=O)C1([NH3+])CCC1 ZINC001341952793 979602156 /nfs/dbraw/zinc/60/21/56/979602156.db2.gz VZNUVKJUSDINEW-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP CC(C)N(CC[C@H]1CCC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC001236526630 979613000 /nfs/dbraw/zinc/61/30/00/979613000.db2.gz KWXYRAJCGMEAFQ-KGLIPLIRSA-N 2 0 239.407 1.448 20 0 BDADRP CC(C)N(CC1(F)CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC001236529403 979622656 /nfs/dbraw/zinc/62/26/56/979622656.db2.gz YFHXESWWWJKVFR-LBPRGKRZSA-N 2 0 243.370 1.150 20 0 BDADRP CC(C)(C)C[N@H+](CCN)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236767933 979725085 /nfs/dbraw/zinc/72/50/85/979725085.db2.gz KVVAETGRLTYAFH-HAQNSBGRSA-N 2 0 227.396 1.563 20 0 BDADRP CCCN(C[C@@H]1CC[NH2+]C1)C[C@H]1CCCC[NH2+]1 ZINC001236833126 979747380 /nfs/dbraw/zinc/74/73/80/979747380.db2.gz YUMDOALEMCZPAY-ZIAGYGMSSA-N 2 0 239.407 1.450 20 0 BDADRP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(CO)cc2)CC1 ZINC001205257181 979755054 /nfs/dbraw/zinc/75/50/54/979755054.db2.gz TUARQAQOMOPJQM-OAHLLOKOSA-N 2 0 248.370 1.882 20 0 BDADRP C[C@@]1([NH3+])CCC[N@H+](Cc2ccco2)CC1 ZINC001205257124 979755819 /nfs/dbraw/zinc/75/58/19/979755819.db2.gz SIXSSCDDBWSOKO-GFCCVEGCSA-N 2 0 208.305 1.983 20 0 BDADRP CC[C@H]([NH3+])CN(C)Cc1cc2c[nH+]ccc2[nH]1 ZINC001236871155 979778106 /nfs/dbraw/zinc/77/81/06/979778106.db2.gz YFGKLBGPZBXWKO-NSHDSACASA-N 2 0 232.331 1.732 20 0 BDADRP C[C@H]([NH3+])CN(C)Cc1ccc2c(c1)NCC2 ZINC001236907713 979794014 /nfs/dbraw/zinc/79/40/14/979794014.db2.gz DXBDWGFHDMSGFQ-JTQLQIEISA-N 2 0 219.332 1.434 20 0 BDADRP CC[C@H]([NH3+])CN1Cc2ccccc2C[C@H]1C[NH3+] ZINC001237020049 979803975 /nfs/dbraw/zinc/80/39/75/979803975.db2.gz MRWSIWNHMZRYKM-KBPBESRZSA-N 2 0 233.359 1.109 20 0 BDADRP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCCCO ZINC001237083175 979813841 /nfs/dbraw/zinc/81/38/41/979813841.db2.gz WTNOYIZKDSDRLQ-YHWZYXNKSA-N 2 0 226.364 1.351 20 0 BDADRP [NH3+]CCCCC[N@@H+]1CCNC2=CCCC[C@@H]21 ZINC001237221357 979853248 /nfs/dbraw/zinc/85/32/48/979853248.db2.gz VLEYRHJUWKQXEN-ZDUSSCGKSA-N 2 0 223.364 1.457 20 0 BDADRP CC(C)(C[NH3+])CC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC001343504197 980133678 /nfs/dbraw/zinc/13/36/78/980133678.db2.gz FQSIOWVAERCKIU-UHFFFAOYSA-N 2 0 247.342 1.603 20 0 BDADRP C[C@@]1(CO)CC[N@H+](Cc2cccc3cncn32)C1 ZINC001238104683 980157470 /nfs/dbraw/zinc/15/74/70/980157470.db2.gz YRBSNPKFRCSMTA-CQSZACIVSA-N 2 0 245.326 1.539 20 0 BDADRP CN(Cc1cccc2c[nH+]cn21)[C@@H]1CC[N@H+](C)C1 ZINC001238114746 980159823 /nfs/dbraw/zinc/15/98/23/980159823.db2.gz VTLNQNBBOXXFFA-CYBMUJFWSA-N 2 0 244.342 1.470 20 0 BDADRP C[N@H+](Cc1cccc2c[nH+]cn21)[C@H]1CCCOC1 ZINC001238112138 980162295 /nfs/dbraw/zinc/16/22/95/980162295.db2.gz BLAXYRKXHJOORK-AWEZNQCLSA-N 2 0 245.326 1.945 20 0 BDADRP C[C@@H]1CC[NH2+]CCN1C[C@@H]([NH3+])c1ccccc1 ZINC001205326080 980192387 /nfs/dbraw/zinc/19/23/87/980192387.db2.gz URMKIPZYUYPSOG-TZMCWYRMSA-N 2 0 233.359 1.370 20 0 BDADRP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC001343714230 980215875 /nfs/dbraw/zinc/21/58/75/980215875.db2.gz LXXPKCSXDQMBNA-QJPTWQEYSA-N 2 0 241.379 1.101 20 0 BDADRP C[NH2+]C1(C(=O)Nc2cc(C)cc(C[NH3+])c2)CCC1 ZINC001343722091 980219096 /nfs/dbraw/zinc/21/90/96/980219096.db2.gz NZPBYOQJZDSPAD-UHFFFAOYSA-N 2 0 247.342 1.534 20 0 BDADRP CC(C)C[C@@H]([NH3+])CC(=O)NCC[C@H](C)[NH+](C)C ZINC001343986560 980305019 /nfs/dbraw/zinc/30/50/19/980305019.db2.gz LASHNCNDHHWIJE-NWDGAFQWSA-N 2 0 243.395 1.206 20 0 BDADRP CC[C@@H](C)COC(=O)NCCC[NH2+]CCC[NH3+] ZINC001239325325 980533477 /nfs/dbraw/zinc/53/34/77/980533477.db2.gz IMQSNIBQSHXRGC-LLVKDONJSA-N 2 0 245.367 1.087 20 0 BDADRP CC(C)(C)[C@H]([NH3+])C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001345535729 980627079 /nfs/dbraw/zinc/62/70/79/980627079.db2.gz IKGRBRWHPOLPGR-WDEREUQCSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@@H]1CC[C@H]([NH+]2CCN(CC[NH3+])CC2)C[C@@H]1C ZINC000085025373 980871892 /nfs/dbraw/zinc/87/18/92/980871892.db2.gz SEFHJQYTVJNUNC-RDBSUJKOSA-N 2 0 239.407 1.387 20 0 BDADRP [NH3+]Cc1cncc(-c2cnc3c(c2)C[NH2+]CC3)c1 ZINC001239798702 980938612 /nfs/dbraw/zinc/93/86/12/980938612.db2.gz HWEODQQZZHDACL-UHFFFAOYSA-N 2 0 240.310 1.248 20 0 BDADRP [NH3+]C[C@@]1(F)CCC[N@H+](C[C@H]2CCCCO2)CC1 ZINC001205546822 980951888 /nfs/dbraw/zinc/95/18/88/980951888.db2.gz YWZKRZAZJVTXIJ-CHWSQXEVSA-N 2 0 244.354 1.708 20 0 BDADRP C[C@H]1CC[N@H+](Cc2nccs2)CC[C@H]1C[NH3+] ZINC001205602218 981165165 /nfs/dbraw/zinc/16/51/65/981165165.db2.gz HSWPEODUTOBCAE-QWRGUYRKSA-N 2 0 239.388 1.950 20 0 BDADRP CCN(CCC[NH+](C)C)c1cc[nH+]cc1 ZINC001347798667 981180459 /nfs/dbraw/zinc/18/04/59/981180459.db2.gz WQZLUWXFGSRGBA-UHFFFAOYSA-N 2 0 207.321 1.860 20 0 BDADRP CC(C)C[NH2+]CC(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC001325855281 981217395 /nfs/dbraw/zinc/21/73/95/981217395.db2.gz FPVNEGSSIATBFG-LLVKDONJSA-N 2 0 249.358 1.890 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2ccc[nH]c2=O)CC[C@@H]1C[NH3+] ZINC001205617741 981221531 /nfs/dbraw/zinc/22/15/31/981221531.db2.gz NAXGHAMGKYDXPY-VXGBXAGGSA-N 2 0 249.358 1.594 20 0 BDADRP CCc1cc(N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)cc[nH+]1 ZINC001348564741 981396190 /nfs/dbraw/zinc/39/61/90/981396190.db2.gz CLLZIFJJHKLPIX-NILFDRSVSA-N 2 0 245.370 1.818 20 0 BDADRP CCc1cc(N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)cc[nH+]1 ZINC001348564739 981396779 /nfs/dbraw/zinc/39/67/79/981396779.db2.gz CLLZIFJJHKLPIX-BYCMXARLSA-N 2 0 245.370 1.818 20 0 BDADRP [NH3+]CCc1ccc(C2=CCC[NH2+]C2)cc1 ZINC001240670045 981580050 /nfs/dbraw/zinc/58/00/50/981580050.db2.gz CVWSPDJSMCSBIA-UHFFFAOYSA-N 2 0 202.301 1.565 20 0 BDADRP CCC[N@@H+]1CC[C@@H](C[NH2+]CC2(OC)CCC2)C1 ZINC001349608279 981595486 /nfs/dbraw/zinc/59/54/86/981595486.db2.gz KAOATICKNNXSHH-ZDUSSCGKSA-N 2 0 240.391 1.877 20 0 BDADRP O[C@H]1CCCC[C@@H]1C[NH+]1CCC2(C[NH2+]C2)CC1 ZINC001580879720 981675696 /nfs/dbraw/zinc/67/56/96/981675696.db2.gz DFWVAEBLDOIJQU-OLZOCXBDSA-N 2 0 238.375 1.223 20 0 BDADRP c1cc2n(n1)CC[N@@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC001580891979 981724720 /nfs/dbraw/zinc/72/47/20/981724720.db2.gz LEXMMECCQYDQKT-GFCCVEGCSA-N 2 0 234.347 1.088 20 0 BDADRP c1csc(C[NH2+]C[C@H]2CCC[NH2+]CC2)n1 ZINC001580897212 981733865 /nfs/dbraw/zinc/73/38/65/981733865.db2.gz JZMRJJTUTRGQBL-JTQLQIEISA-N 2 0 225.361 1.622 20 0 BDADRP c1cnc([C@@H]2CC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)cn1 ZINC001580896699 981735459 /nfs/dbraw/zinc/73/54/59/981735459.db2.gz NNAFIUSFCMFTGY-QWHCGFSZSA-N 2 0 246.358 1.266 20 0 BDADRP [NH3+]Cc1ccc(C=C2CC[NH2+]CC2)cn1 ZINC001240878782 981933493 /nfs/dbraw/zinc/93/34/93/981933493.db2.gz YLMDMTSFTOQHKE-UHFFFAOYSA-N 2 0 203.289 1.307 20 0 BDADRP CC1(C)[C@H]([NH2+]C[C@H]2CCOC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC001350954662 982135062 /nfs/dbraw/zinc/13/50/62/982135062.db2.gz DUOOWTDSXHDDNR-FVCCEPFGSA-N 2 0 238.375 1.389 20 0 BDADRP CCC[C@@](C)(CO)[NH2+]CC1CC[NH+](C)CC1 ZINC001351996875 982429193 /nfs/dbraw/zinc/42/91/93/982429193.db2.gz FJNQWNSLCNLJNI-ZDUSSCGKSA-N 2 0 228.380 1.469 20 0 BDADRP CC[C@@H]1CC[C@H]([NH2+]CCN2CC[NH+](C)CC2)C1 ZINC000080457077 982429815 /nfs/dbraw/zinc/42/98/15/982429815.db2.gz QCLQWXWKHNSLKM-KGLIPLIRSA-N 2 0 239.407 1.402 20 0 BDADRP Cc1cc(C2=CC[N@H+](C)CC2)nc2c1C[NH2+]CC2 ZINC001241308553 982450567 /nfs/dbraw/zinc/45/05/67/982450567.db2.gz UHADIOOIKXWZRH-UHFFFAOYSA-N 2 0 243.354 1.755 20 0 BDADRP [NH3+]Cc1ccccc1-c1cnn(C2C[NH2+]C2)c1 ZINC001241612517 982850121 /nfs/dbraw/zinc/85/01/21/982850121.db2.gz YQIJEDARGJVZJT-UHFFFAOYSA-N 2 0 228.299 1.153 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC001353634890 982941339 /nfs/dbraw/zinc/94/13/39/982941339.db2.gz ULBUSLOHWNYCIO-GRYCIOLGSA-N 2 0 241.379 1.007 20 0 BDADRP [NH3+]Cc1ccc(-c2ccc3c(n2)C[NH2+]CC3)cc1 ZINC001241910741 983126217 /nfs/dbraw/zinc/12/62/17/983126217.db2.gz FIZCTEOUQTUTBC-UHFFFAOYSA-N 2 0 239.322 1.853 20 0 BDADRP Nc1ccnc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001242020159 983228537 /nfs/dbraw/zinc/22/85/37/983228537.db2.gz RNOVZDBIWANCHM-MNOVXSKESA-N 2 0 201.273 1.572 20 0 BDADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001354424492 983306754 /nfs/dbraw/zinc/30/67/54/983306754.db2.gz QKHZUYRNMQNLTK-BJDJZHNGSA-N 2 0 241.379 1.007 20 0 BDADRP CC[C@H](C)C[NH+]1C[C@H]2C[NH+](CC)C[C@@H]2C1 ZINC001201521614 983319521 /nfs/dbraw/zinc/31/95/21/983319521.db2.gz WBKUUKSZGFZTCD-YNEHKIRRSA-N 2 0 210.365 1.916 20 0 BDADRP CC[N@@H+]1CCn2cc(CN3CCCCC3)nc2C1 ZINC001201581362 983343668 /nfs/dbraw/zinc/34/36/68/983343668.db2.gz SSXPXPFWDHSELP-UHFFFAOYSA-N 2 0 248.374 1.705 20 0 BDADRP CCCC[C@@H](O)C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001252093622 983534272 /nfs/dbraw/zinc/53/42/72/983534272.db2.gz IVHSPAUFAKNGMB-CYBMUJFWSA-N 2 0 240.391 1.565 20 0 BDADRP [NH3+]Cc1ccccc1NC(=O)CC1(C[NH3+])CC1 ZINC001355718858 983534938 /nfs/dbraw/zinc/53/49/38/983534938.db2.gz LVXAFSCVNAOYNH-UHFFFAOYSA-N 2 0 233.315 1.213 20 0 BDADRP [NH3+]Cc1ccccc1NC(=O)CC[NH2+]C1CC1 ZINC001355718065 983535840 /nfs/dbraw/zinc/53/58/40/983535840.db2.gz CJHKWRKUGVCYHH-UHFFFAOYSA-N 2 0 233.315 1.226 20 0 BDADRP CCCC[C@H](O)C[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001252106616 983645254 /nfs/dbraw/zinc/64/52/54/983645254.db2.gz AAPSBAXKTYTODH-OLZOCXBDSA-N 2 0 228.380 1.611 20 0 BDADRP CC1(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CCCCC1 ZINC001205946721 983651257 /nfs/dbraw/zinc/65/12/57/983651257.db2.gz PRUZJCWFHXAXGH-VXGBXAGGSA-N 2 0 226.364 1.351 20 0 BDADRP CCCC[C@@H](O)C[NH2+]C1CC[NH+](CC)CC1 ZINC001252106935 983666012 /nfs/dbraw/zinc/66/60/12/983666012.db2.gz CRQHHSKDMZRCAS-CYBMUJFWSA-N 2 0 228.380 1.611 20 0 BDADRP CCCC[C@H](O)C[NH2+]C[C@@H]1CC[N@H+](C)C1 ZINC001252107108 983667030 /nfs/dbraw/zinc/66/70/30/983667030.db2.gz DXTYARPXYQBCBQ-RYUDHWBXSA-N 2 0 214.353 1.079 20 0 BDADRP CC[C@@H]([NH3+])CNC(=O)[C@@H]([NH3+])C1CCCCCC1 ZINC001357473942 983726321 /nfs/dbraw/zinc/72/63/21/983726321.db2.gz JNWJOZQUQGEOTL-NEPJUHHUSA-N 2 0 241.379 1.138 20 0 BDADRP CC[NH+](CC)[C@H]1CC[C@H]([NH2+]CC(C)(C)O)CC1 ZINC001252371478 983751514 /nfs/dbraw/zinc/75/15/14/983751514.db2.gz RAKCLCLOMIKPKB-JOCQHMNTSA-N 2 0 242.407 2.000 20 0 BDADRP C[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)C[C@H](C)N1 ZINC000202092071 984005304 /nfs/dbraw/zinc/00/53/04/984005304.db2.gz ZXXWWCIYRRMDKA-TXEJJXNPSA-N 2 0 225.380 1.010 20 0 BDADRP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](CC1CCOCC1)C2 ZINC001202598633 984103769 /nfs/dbraw/zinc/10/37/69/984103769.db2.gz PUXONEIYJKMZCJ-ZIAGYGMSSA-N 2 0 238.375 1.297 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])C[NH2+][C@H]1C[C@@](C)(O)C1 ZINC001575129930 984121953 /nfs/dbraw/zinc/12/19/53/984121953.db2.gz ABCAGTZVYOSSEE-GMXVVIOVSA-N 2 0 228.380 1.643 20 0 BDADRP CC(C)COC(=O)C[N@H+](C)CC1CC[NH2+]CC1 ZINC001575606437 984130282 /nfs/dbraw/zinc/13/02/82/984130282.db2.gz VYPIZQPLLIJOFQ-UHFFFAOYSA-N 2 0 242.363 1.117 20 0 BDADRP C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ccc2c[nH+]cn2c1 ZINC001576097086 984152244 /nfs/dbraw/zinc/15/22/44/984152244.db2.gz SITLBBXEVZTOFM-RKDXNWHRSA-N 2 0 232.287 1.256 20 0 BDADRP C[C@H](O)[C@H](C)[N@@H+]1C[C@@H]2CCCC[C@]2(C[NH3+])C1 ZINC001576261772 984157761 /nfs/dbraw/zinc/15/77/61/984157761.db2.gz AXDLPMVBRMZZNJ-CYDGBPFRSA-N 2 0 226.364 1.207 20 0 BDADRP C[C@H](O)C[C@@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC001576271077 984166432 /nfs/dbraw/zinc/16/64/32/984166432.db2.gz BWHSOZKDHUMHIP-VOAKCMCISA-N 2 0 226.364 1.077 20 0 BDADRP C[C@H]1CC[C@@H]([NH2+][C@H]2C[C@H]([NH3+])C2)CS1 ZINC001576671139 984179718 /nfs/dbraw/zinc/17/97/18/984179718.db2.gz RUKYQHDISYENCR-QEYWKRMJSA-N 2 0 200.351 1.350 20 0 BDADRP C[NH2+]C[C@](C)(O)C[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC001578622061 984215656 /nfs/dbraw/zinc/21/56/56/984215656.db2.gz NBJUNBXQTZCYEI-OBJOEFQTSA-N 2 0 242.407 1.761 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H](N[C@@H]3CC[NH2+]C34CCC4)[C@@H]2C1 ZINC001578521179 984215778 /nfs/dbraw/zinc/21/57/78/984215778.db2.gz MMFKELDYNLNYHE-RFQIPJPRSA-N 2 0 249.402 1.201 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H](N[C@@H]3C[C@H]([NH3+])C34CCC4)[C@@H]2C1 ZINC001578521161 984217154 /nfs/dbraw/zinc/21/71/54/984217154.db2.gz MGPMOLUOWRSYEY-ZUWCUPBKSA-N 2 0 249.402 1.186 20 0 BDADRP CO[C@@H]([C@@H](C)[NH2+]C1CC2(C[C@@H]2[NH3+])C1)C1CC1 ZINC001578902298 984229088 /nfs/dbraw/zinc/22/90/88/984229088.db2.gz ZATKMNWJPZTFPI-YASOTAJQSA-N 2 0 224.348 1.269 20 0 BDADRP Cn1cncc1C[N@@H+]1C[C@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001579986085 984358967 /nfs/dbraw/zinc/35/89/67/984358967.db2.gz QTHZAXVMSXOQDX-TZMCWYRMSA-N 2 0 248.374 1.371 20 0 BDADRP C[NH2+]Cc1cccc(-c2ncc3c(n2)C[NH2+]C3)c1 ZINC001242995785 984362343 /nfs/dbraw/zinc/36/23/43/984362343.db2.gz YKGZCRXVBIVRLF-UHFFFAOYSA-N 2 0 240.310 1.466 20 0 BDADRP C[NH2+][C@@]12CC[C@@]([NH2+]CCOC)(C1)CCC2 ZINC001274980210 984432463 /nfs/dbraw/zinc/43/24/63/984432463.db2.gz HEFJRLVWUKHRBO-NWDGAFQWSA-N 2 0 212.337 1.287 20 0 BDADRP [NH3+]CC1(C[NH2+][C@@H]2C[C@@H]3CC[C@H]2O3)CCC1 ZINC001580243604 984473804 /nfs/dbraw/zinc/47/38/04/984473804.db2.gz LHXPCFRIIKUCMQ-HBNTYKKESA-N 2 0 210.321 1.025 20 0 BDADRP [NH3+]CC[C@@H](O)C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC001580284649 984498238 /nfs/dbraw/zinc/49/82/38/984498238.db2.gz NEAMLVBOCSXTAW-HUUCEWRRSA-N 2 0 248.370 1.307 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@H+](CCO)Cc2cccnc2)C1 ZINC001580387512 984514864 /nfs/dbraw/zinc/51/48/64/984514864.db2.gz JZXZHKBUDKLMJB-GXTWGEPZSA-N 2 0 249.358 1.003 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2cc3ccncc3s2)C1 ZINC001580430280 984531813 /nfs/dbraw/zinc/53/18/13/984531813.db2.gz KLZNCLRBRYRJFA-MGCOHNPYSA-N 2 0 233.340 1.876 20 0 BDADRP C[NH+](C)Cc1c[nH]c2nccc(C3=CC[NH2+]C3)c12 ZINC001243110132 984566722 /nfs/dbraw/zinc/56/67/22/984566722.db2.gz AYXFGQWGPMLPDX-UHFFFAOYSA-N 2 0 242.326 1.611 20 0 BDADRP CC[N@H+](CCCCCCC[NH3+])[C@@H]1CCNC1=O ZINC001577713161 984648115 /nfs/dbraw/zinc/64/81/15/984648115.db2.gz PFBQJKLEXRIJJC-GFCCVEGCSA-N 2 0 241.379 1.106 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H]2C[NH2+]CC23CC3)CC1 ZINC001577764368 984731077 /nfs/dbraw/zinc/73/10/77/984731077.db2.gz YVFNBIVWNMWJJW-ZDUSSCGKSA-N 3 0 237.391 1.060 20 0 BDADRP C[N@H+]1CC[C@H]2C[NH+](Cc3ccon3)C[C@H]2CC1 ZINC001276066634 984808986 /nfs/dbraw/zinc/80/89/86/984808986.db2.gz NEDIJKYZFDGJTD-TXEJJXNPSA-N 2 0 235.331 1.448 20 0 BDADRP CCOC(=O)[C@H](C)[C@@H](C)[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001577908784 984816165 /nfs/dbraw/zinc/81/61/65/984816165.db2.gz SUSBRVFAAXJNLL-ICCVDXIISA-N 2 0 240.347 1.044 20 0 BDADRP CCOC(=O)[C@@H]1CC[N@H+](C[C@@H](C[NH3+])C(C)C)C1 ZINC001577936063 984821879 /nfs/dbraw/zinc/82/18/79/984821879.db2.gz NAPBDPUWCGFPQO-VXGBXAGGSA-N 2 0 242.363 1.102 20 0 BDADRP CCOC(=O)C1(C)CC([NH2+][C@H](C)[C@@H](C)[NH3+])C1 ZINC001577925396 984822523 /nfs/dbraw/zinc/82/25/23/984822523.db2.gz INBBRUQHPQJUSI-XTQFYOIMSA-N 2 0 228.336 1.044 20 0 BDADRP CCOC(=O)CCC[NH+]1CCC(CC[NH3+])CC1 ZINC001577945936 984830344 /nfs/dbraw/zinc/83/03/44/984830344.db2.gz QBYVBOHPXGTCFX-UHFFFAOYSA-N 2 0 242.363 1.391 20 0 BDADRP CCOC(=O)[C@H](C)[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC001578025399 984831157 /nfs/dbraw/zinc/83/11/57/984831157.db2.gz IDNGLWFVDYWZLR-RYUDHWBXSA-N 2 0 242.363 1.260 20 0 BDADRP CCOC1CC(CC[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)C1 ZINC001578084577 984841088 /nfs/dbraw/zinc/84/10/88/984841088.db2.gz NWWBDOUCPUJFJV-IFWUJCSASA-N 2 0 240.391 1.907 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]C(C)(C)C[NH3+])[C@@H]1SC ZINC001578093776 984844268 /nfs/dbraw/zinc/84/42/68/984844268.db2.gz JWPBSLFXRLPYHL-BBBLOLIVSA-N 2 0 232.393 1.222 20 0 BDADRP CCOC1CC(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)C1 ZINC001578087139 984846199 /nfs/dbraw/zinc/84/61/99/984846199.db2.gz DVGZZPBJWVIMDW-DKNRTOFZSA-N 2 0 238.375 1.343 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@H]2C[C@H]([NH3+])C2)C12CCCC2 ZINC001578093078 984846566 /nfs/dbraw/zinc/84/65/66/984846566.db2.gz FIHDSEVWTGLEAT-LPWJVIDDSA-N 2 0 238.375 1.804 20 0 BDADRP CCOC1CC([NH2+]C2CC3(CC([NH3+])C3)C2)C1 ZINC001578095695 984847860 /nfs/dbraw/zinc/84/78/60/984847860.db2.gz ZXLILFWHJIOWNV-UHFFFAOYSA-N 2 0 224.348 1.413 20 0 BDADRP C[C@H]1CC([N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C[C@H](C)O1 ZINC001257100973 984852874 /nfs/dbraw/zinc/85/28/74/984852874.db2.gz YTWXBOQDPOSQSZ-ZDEQEGDKSA-N 2 0 238.375 1.436 20 0 BDADRP CCO[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC001578148544 984855076 /nfs/dbraw/zinc/85/50/76/984855076.db2.gz BOBBOCZFSBAKGL-MGPQQGTHSA-N 2 0 240.391 1.923 20 0 BDADRP CCO[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[NH2+]C1 ZINC001578151407 984858719 /nfs/dbraw/zinc/85/87/19/984858719.db2.gz IIBKHWBLYNWZPQ-IJLUTSLNSA-N 2 0 212.337 1.143 20 0 BDADRP CC[C@@H]1OCC[C@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC001578228993 984868049 /nfs/dbraw/zinc/86/80/49/984868049.db2.gz PULSXYVZLUCRQA-TUAOUCFPSA-N 2 0 212.337 1.143 20 0 BDADRP CC[C@H]1[NH2+]CC[C@@H]1[NH2+][C@@H]1CCO[C@H](C)C1 ZINC001578241571 984895036 /nfs/dbraw/zinc/89/50/36/984895036.db2.gz BVDLSOAUGIDSEZ-KKOKHZNYSA-N 2 0 212.337 1.284 20 0 BDADRP CCn1cnc2c1CC[N@H+](C[C@H]1CC[C@@H]([NH3+])C1)C2 ZINC001578357281 984997010 /nfs/dbraw/zinc/99/70/10/984997010.db2.gz QRWIUIVUKDLSSC-NWDGAFQWSA-N 2 0 248.374 1.389 20 0 BDADRP CC[C@H](C)[N@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257431511 985001884 /nfs/dbraw/zinc/00/18/84/985001884.db2.gz HVKXFIZQSTZXLF-SRVKXCTJSA-N 2 0 226.364 1.756 20 0 BDADRP C[NH+](C)C1(CNC[C@@H]([NH3+])CCC(C)(C)C)CC1 ZINC001578408839 985045490 /nfs/dbraw/zinc/04/54/90/985045490.db2.gz DDWVKVWCSNLCBS-LBPRGKRZSA-N 2 0 241.423 1.824 20 0 BDADRP CN(C)c1cccc(CN(C2CC2)C2C[NH2+]C2)n1 ZINC001578427047 985060555 /nfs/dbraw/zinc/06/05/55/985060555.db2.gz MLJAEWYIHDZVNL-UHFFFAOYSA-N 2 0 246.358 1.084 20 0 BDADRP C[N@H+](C[C@@]1(C)CCCCO1)C1CC([NH3+])C1 ZINC001578445760 985079369 /nfs/dbraw/zinc/07/93/69/985079369.db2.gz VNXCBHJFIFMTIJ-HTAVTVPLSA-N 2 0 212.337 1.367 20 0 BDADRP C[N@H+](C[C@H]1CC[C@@H]([NH3+])C1)C[C@H]1CCCC[C@@H]1O ZINC001578451112 985082953 /nfs/dbraw/zinc/08/29/53/985082953.db2.gz DWTXJLHRIRZVDB-DGAVXFQQSA-N 2 0 240.391 1.597 20 0 BDADRP C[N@H+](C[C@H]1CC[C@@H]([NH3+])C1)C[C@H]1CCCC[C@H]1O ZINC001578451115 985083051 /nfs/dbraw/zinc/08/30/51/985083051.db2.gz DWTXJLHRIRZVDB-REWJHTLYSA-N 2 0 240.391 1.597 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[C@H]1O ZINC001578463321 985097583 /nfs/dbraw/zinc/09/75/83/985097583.db2.gz CEYYHWLDKGJPIK-YNEHKIRRSA-N 2 0 226.364 1.221 20 0 BDADRP C[N@H+](CCCCCC[NH3+])CCC1OCCCO1 ZINC001578465631 985102231 /nfs/dbraw/zinc/10/22/31/985102231.db2.gz FTGZPIAYOKZPBH-UHFFFAOYSA-N 2 0 244.379 1.590 20 0 BDADRP CO[C@H]1CCC[N@H+](C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000691985182 985109773 /nfs/dbraw/zinc/10/97/73/985109773.db2.gz JYAIXOYTKROGDR-UONOGXRCSA-N 2 0 240.391 1.877 20 0 BDADRP C[N@H+](Cc1cccnc1N)C1CCC([NH3+])CC1 ZINC001578497265 985120885 /nfs/dbraw/zinc/12/08/85/985120885.db2.gz PSDDVFXQNHWUHE-UHFFFAOYSA-N 2 0 234.347 1.366 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+]CC2CC[NH+](C)CC2)[C@@H](C)O1 ZINC000686509736 985127910 /nfs/dbraw/zinc/12/79/10/985127910.db2.gz LESGAGFHZWTLGH-BZPMIXESSA-N 2 0 240.391 1.731 20 0 BDADRP C[NH+]1CCC(C[NH2+]C[C@@H]2CCC[NH2+]CC2)CC1 ZINC001578525035 985149087 /nfs/dbraw/zinc/14/90/87/985149087.db2.gz MOSWBYCCLYTGLK-CYBMUJFWSA-N 3 0 239.407 1.308 20 0 BDADRP COC(CC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1)OC ZINC000686608242 985151952 /nfs/dbraw/zinc/15/19/52/985151952.db2.gz CJJMFAXVELREPS-CYBMUJFWSA-N 2 0 242.363 1.023 20 0 BDADRP CN1CC[C@@H]1C[NH2+]Cc1ccc2c(c1)C[NH2+]CC2 ZINC001578525410 985152800 /nfs/dbraw/zinc/15/28/00/985152800.db2.gz DTPXHKKLPXPEQR-OAHLLOKOSA-N 2 0 245.370 1.126 20 0 BDADRP CN1CCCC[C@H]1C[NH2+]C1CC(CC[NH3+])C1 ZINC001578528331 985154397 /nfs/dbraw/zinc/15/43/97/985154397.db2.gz GMDPIUOMFSULLP-BPCQOVAHSA-N 2 0 225.380 1.188 20 0 BDADRP C[N@@H+]1CCCC[C@H](C[NH2+]C2CC3(C[C@H]3[NH3+])C2)C1 ZINC001578529048 985155327 /nfs/dbraw/zinc/15/53/27/985155327.db2.gz PGBAEYKBQYTTGT-NELGMTEASA-N 3 0 237.391 1.188 20 0 BDADRP C[N@@H+]1CCC[C@H]1CCN[C@@H]1CC[NH2+]C12CCC2 ZINC001578528721 985158712 /nfs/dbraw/zinc/15/87/12/985158712.db2.gz KOKLTRBQLWACQW-QWHCGFSZSA-N 2 0 237.391 1.345 20 0 BDADRP CN1CC[C@@H]2C[N@H+](CCC3CC[NH2+]CC3)C[C@@H]21 ZINC001578541074 985178687 /nfs/dbraw/zinc/17/86/87/985178687.db2.gz ODXNRLZJKDOSQX-KGLIPLIRSA-N 2 0 237.391 1.012 20 0 BDADRP C[NH2+]CC(=O)Nc1cccc2c1C[N@@H+](C1CC1)C2 ZINC001578622130 985234405 /nfs/dbraw/zinc/23/44/05/985234405.db2.gz ODBNLPAWVLZPLZ-UHFFFAOYSA-N 2 0 245.326 1.323 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC001578627251 985244274 /nfs/dbraw/zinc/24/42/74/985244274.db2.gz MVHNKTNFGVMOJC-SNIKSBKOSA-N 2 0 238.375 1.245 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+]([C@@H]3CCCSC3)C[C@@H]2C1 ZINC001257673996 985247244 /nfs/dbraw/zinc/24/72/44/985247244.db2.gz PYWXCLASQPTWMP-FRRDWIJNSA-N 2 0 240.416 1.766 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](CC2CCC(OC)CC2)C1 ZINC001578664190 985282047 /nfs/dbraw/zinc/28/20/47/985282047.db2.gz PTSIFAGCVKHXPW-ROKHWSDSSA-N 2 0 240.391 1.733 20 0 BDADRP COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC001578832917 985406848 /nfs/dbraw/zinc/40/68/48/985406848.db2.gz OKGXKLJNAXJGMU-UTUOFQBUSA-N 2 0 240.347 1.060 20 0 BDADRP CO[C@@](C)(C[NH2+]C[C@H]1CC[C@@H]([NH3+])C1)C1CC1 ZINC001578895832 985455946 /nfs/dbraw/zinc/45/59/46/985455946.db2.gz ATQUQPMCALAONG-UHTWSYAYSA-N 2 0 226.364 1.519 20 0 BDADRP CO[C@@H](CC(C)C)C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(C)C1 ZINC001578900700 985492305 /nfs/dbraw/zinc/49/23/05/985492305.db2.gz KTPHNMKYTQTFIW-RDBSUJKOSA-N 2 0 240.391 1.589 20 0 BDADRP C[C@@H]1COC[C@H]1[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000688022755 985494720 /nfs/dbraw/zinc/49/47/20/985494720.db2.gz GFACLUDVTMQHOG-ZIAGYGMSSA-N 2 0 240.391 1.733 20 0 BDADRP CO[C@H](C[NH2+]C1CC2(CC([NH3+])C2)C1)C1CC1 ZINC001578912553 985518793 /nfs/dbraw/zinc/51/87/93/985518793.db2.gz HTSUCBLXTUISNM-AYNROABZSA-N 2 0 224.348 1.271 20 0 BDADRP COC1(C[C@H](C)[NH2+][C@H]2C[C@H]([NH3+])C2)CCC1 ZINC001578926399 985521735 /nfs/dbraw/zinc/52/17/35/985521735.db2.gz GFRIHAAPJWMIPB-DCAQKATOSA-N 2 0 212.337 1.413 20 0 BDADRP C[C@H](C[NH2+][C@@H]1COC[C@@H]1C)C[NH+]1CCCC1 ZINC000688048774 985531391 /nfs/dbraw/zinc/53/13/91/985531391.db2.gz OSCARCIJPOCHAH-FRRDWIJNSA-N 2 0 226.364 1.343 20 0 BDADRP COC1CC(C[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)C1 ZINC001578936131 985543160 /nfs/dbraw/zinc/54/31/60/985543160.db2.gz OQBWLPDRYGKYJV-IFWUJCSASA-N 2 0 224.348 1.286 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001578936458 985546928 /nfs/dbraw/zinc/54/69/28/985546928.db2.gz DIMCNVRSPQIPFT-WISYIIOYSA-N 2 0 212.337 1.413 20 0 BDADRP COCC(C)(C)[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578953961 985566390 /nfs/dbraw/zinc/56/63/90/985566390.db2.gz CDLUBNJUFQGVLO-VHSXEESVSA-N 2 0 200.326 1.128 20 0 BDADRP [NH3+]Cc1ccc(/C=C/C2CC[NH2+]CC2)cn1 ZINC001243895623 985578363 /nfs/dbraw/zinc/57/83/63/985578363.db2.gz FJCABIJAPUTELN-OWOJBTEDSA-N 2 0 217.316 1.553 20 0 BDADRP COC[C@H]([NH2+]C[C@H]1CCCC[NH2+]C1)C(C)C ZINC001578970379 985581496 /nfs/dbraw/zinc/58/14/96/985581496.db2.gz TXFYBUFSPPLSTP-STQMWFEESA-N 2 0 228.380 1.637 20 0 BDADRP COC[C@@H](CC(C)C)[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC001578961171 985585516 /nfs/dbraw/zinc/58/55/16/985585516.db2.gz VFSXQLSQZRGJAL-GMTAPVOTSA-N 2 0 200.326 1.127 20 0 BDADRP COC[C@@H](CC1CCOCC1)[NH2+]CC[C@H](C)[NH3+] ZINC001578960791 985586664 /nfs/dbraw/zinc/58/66/64/985586664.db2.gz OTXDZXNQRHFPNB-WCQYABFASA-N 2 0 244.379 1.145 20 0 BDADRP C[C@@H](O)[C@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC001459765073 985605275 /nfs/dbraw/zinc/60/52/75/985605275.db2.gz VERVFFKWZHCSDA-QWHCGFSZSA-N 2 0 242.407 1.810 20 0 BDADRP COCCC(C)(C)[NH2+]CCC1([NH3+])CCOCC1 ZINC001578994560 985621928 /nfs/dbraw/zinc/62/19/28/985621928.db2.gz JUXYBXVSCYGRFW-UHFFFAOYSA-N 2 0 244.379 1.289 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]CC[C@H](C)[NH+](C)C)CO1 ZINC000688429288 985634417 /nfs/dbraw/zinc/63/44/17/985634417.db2.gz RDQNPPXNRBNRAJ-SDDRHHMPSA-N 2 0 214.353 1.484 20 0 BDADRP COCC[C@@H]([NH3+])C[NH2+][C@H](C1CC1)C1CCC1 ZINC001579002697 985654711 /nfs/dbraw/zinc/65/47/11/985654711.db2.gz SOEAOSRBXNFOPK-OLZOCXBDSA-N 2 0 226.364 1.519 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC001579002948 985661467 /nfs/dbraw/zinc/66/14/67/985661467.db2.gz VVCZCEVWDHEQBU-RHYQMDGZSA-N 2 0 212.337 1.128 20 0 BDADRP COCC[C@@H]([NH3+])C[NH2+]CC1CCC(OC)CC1 ZINC001579004154 985662250 /nfs/dbraw/zinc/66/22/50/985662250.db2.gz QOHXJCPDKNGIBI-OTTFEQOBSA-N 2 0 244.379 1.145 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC001579004198 985664436 /nfs/dbraw/zinc/66/44/36/985664436.db2.gz RPCAUNFFBTWQCA-SDDRHHMPSA-N 2 0 212.337 1.128 20 0 BDADRP CO[C@@H]1CCCC[C@H]1[NH2+]CCC1C[NH2+]C1 ZINC001579114051 985747467 /nfs/dbraw/zinc/74/74/67/985747467.db2.gz GOOCIZYGARDXRX-VXGBXAGGSA-N 2 0 212.337 1.143 20 0 BDADRP CO[C@H]1C[C@@H]([N@H+](C)CCC[NH2+]C2CC2)C1 ZINC001579133383 985809127 /nfs/dbraw/zinc/80/91/27/985809127.db2.gz PFEITHMSTJXRQT-TXEJJXNPSA-N 2 0 212.337 1.238 20 0 BDADRP COc1cc(CCN[C@H]2C[NH2+]C[C@@H](C)C2)ccn1 ZINC001579150169 985815754 /nfs/dbraw/zinc/81/57/54/985815754.db2.gz GITUKQVYZUCDQM-WCQYABFASA-N 2 0 249.358 1.220 20 0 BDADRP C[S@](=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC001579354440 985855375 /nfs/dbraw/zinc/85/53/75/985855375.db2.gz CYMZYGPCAKSDDK-WZIZPHDVSA-N 2 0 244.404 1.146 20 0 BDADRP CSC1(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC001579365886 985862356 /nfs/dbraw/zinc/86/23/56/985862356.db2.gz WGFJIERNBYCTEJ-CMPLNLGQSA-N 2 0 226.389 1.695 20 0 BDADRP C[C@H]([C@H](C)O)[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC001460691357 985879846 /nfs/dbraw/zinc/87/98/46/985879846.db2.gz KAFXSHXPLAADIA-NEPJUHHUSA-N 2 0 226.364 1.316 20 0 BDADRP C[C@@H]1C[NH+](CC[C@H]2CC[NH2+]C2)C[C@@H](C)C1=O ZINC001579440086 985924239 /nfs/dbraw/zinc/92/42/39/985924239.db2.gz OBQCHXDQRLDQRW-IJLUTSLNSA-N 2 0 224.348 1.143 20 0 BDADRP C[C@@H](CC1CC1)[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001258468136 985927152 /nfs/dbraw/zinc/92/71/52/985927152.db2.gz SVXUUBDDUWPJSR-ZDUSSCGKSA-N 2 0 239.407 1.354 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccnc(N(C)C)c2)C[C@H]1C[NH3+] ZINC001579441762 985932218 /nfs/dbraw/zinc/93/22/18/985932218.db2.gz QWDNSTSRBROHHM-DGCLKSJQSA-N 2 0 248.374 1.174 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@](C)(O)CC1 ZINC001579454516 985938996 /nfs/dbraw/zinc/93/89/96/985938996.db2.gz ILHRYYWRBLYBGI-AGIUHOORSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@H](c2cnccn2)C1 ZINC001579454436 985942064 /nfs/dbraw/zinc/94/20/64/985942064.db2.gz CFFKJCJWCRWDRR-AGIUHOORSA-N 2 0 246.358 1.121 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC001579454722 985948310 /nfs/dbraw/zinc/94/83/10/985948310.db2.gz XXSNCHCGNXSUJC-RQJABVFESA-N 2 0 238.375 1.200 20 0 BDADRP [NH3+]CCOc1cccc(-c2ccnc(C[NH3+])c2)c1 ZINC001244324276 985953688 /nfs/dbraw/zinc/95/36/88/985953688.db2.gz GPZNAUBRAUVNLZ-UHFFFAOYSA-N 2 0 243.310 1.545 20 0 BDADRP C[C@@]12C[NH2+]C[C@@H]1C[N@H+](CCC[C@@H]1CCOC1)C2 ZINC001579474003 985978778 /nfs/dbraw/zinc/97/87/78/985978778.db2.gz UGFYGHBBAKGXDN-MCIONIFRSA-N 2 0 238.375 1.344 20 0 BDADRP CCC[NH+]1CCC(C[NH2+]C2CCOCC2)CC1 ZINC001461170543 986016086 /nfs/dbraw/zinc/01/60/86/986016086.db2.gz QAHJENQPLZFVDC-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@H]1[NH2+]CCC[C@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001579499605 986029060 /nfs/dbraw/zinc/02/90/60/986029060.db2.gz XKGPKQXVEHNOSD-AAVRWANBSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@H]1[NH2+]CCC[C@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001579499607 986029256 /nfs/dbraw/zinc/02/92/56/986029256.db2.gz XKGPKQXVEHNOSD-YIYPIFLZSA-N 2 0 237.391 1.343 20 0 BDADRP Cc1cc(C[NH2+]C2CC3(CC([NH3+])C3)C2)nn1C ZINC001579601745 986121046 /nfs/dbraw/zinc/12/10/46/986121046.db2.gz ZAJMTWKBTBPMBS-UHFFFAOYSA-N 2 0 234.347 1.088 20 0 BDADRP Cc1ccc(C[C@@H](CO)[NH2+]C2CC([NH3+])C2)cc1C ZINC001579684422 986180112 /nfs/dbraw/zinc/18/01/12/986180112.db2.gz DWGWBASIMONKCB-NRXISQOPSA-N 2 0 248.370 1.286 20 0 BDADRP Cc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]CC2)cn1 ZINC001579697055 986187833 /nfs/dbraw/zinc/18/78/33/986187833.db2.gz UYSKPIIPTSWCEX-CYBMUJFWSA-N 2 0 233.359 1.869 20 0 BDADRP Cc1ccc(C[NH2+]C2CC3(CC([NH3+])C3)C2)nn1 ZINC001579696954 986190746 /nfs/dbraw/zinc/19/07/46/986190746.db2.gz OXMVDSAMBPSBOY-UHFFFAOYSA-N 2 0 232.331 1.145 20 0 BDADRP Cc1ccc([C@H](O)C[NH2+]C2CC3(C[C@@H]3[NH3+])C2)cc1 ZINC001579734359 986203884 /nfs/dbraw/zinc/20/38/84/986203884.db2.gz GELFNMGPMKLVGJ-FUUBYGMNSA-N 2 0 246.354 1.498 20 0 BDADRP Cc1cccc(C[C@H](C)[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c1 ZINC001579759530 986206797 /nfs/dbraw/zinc/20/67/97/986206797.db2.gz LXVWQNUVDKTYDH-NWANDNLSSA-N 2 0 248.370 1.096 20 0 BDADRP Cc1ccnc(C[NH2+]C2CC3(C[C@@H]3[NH3+])C2)c1 ZINC001579811646 986232430 /nfs/dbraw/zinc/23/24/30/986232430.db2.gz PYIDLCIIDLYYQF-CPCZMJQVSA-N 2 0 217.316 1.359 20 0 BDADRP Cc1cnc(CC[NH2+]CC2(C[NH3+])CCC2)c(C)c1 ZINC001579823640 986248053 /nfs/dbraw/zinc/24/80/53/986248053.db2.gz URCSJMIEECVHMN-UHFFFAOYSA-N 2 0 247.386 1.960 20 0 BDADRP Cc1conc1CN1C[C@@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001579830006 986257451 /nfs/dbraw/zinc/25/74/51/986257451.db2.gz MCIHNXRACKAPLB-GXTWGEPZSA-N 2 0 249.358 1.934 20 0 BDADRP CC[NH+]1CCC(C[NH2+]C[C@@H](O)C2CCC2)CC1 ZINC001462350895 986359000 /nfs/dbraw/zinc/35/90/00/986359000.db2.gz ZLVRAZSPEINZCR-CQSZACIVSA-N 2 0 240.391 1.469 20 0 BDADRP Cn1cc([C@@H]2C[C@H]2C[NH+]2CCC(C)([NH3+])CC2)cn1 ZINC001579970623 986373230 /nfs/dbraw/zinc/37/32/30/986373230.db2.gz ZLZREIIJYOCAIW-WCQYABFASA-N 2 0 248.374 1.337 20 0 BDADRP Cn1ccnc1[C@H]1CC[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001579980243 986378440 /nfs/dbraw/zinc/37/84/40/986378440.db2.gz LIZJGFVNKHDHGJ-RWMBFGLXSA-N 2 0 248.374 1.337 20 0 BDADRP CCN1CCC[C@@H]([NH2+]CCC2CC(OC)C2)C1 ZINC001462430546 986387010 /nfs/dbraw/zinc/38/70/10/986387010.db2.gz YZCLDRCQAXHGTI-ROKHWSDSSA-N 2 0 240.391 1.875 20 0 BDADRP Cn1ncc(C[NH2+]C[C@H]2CC[C@@H]([NH3+])C2)c1Cl ZINC001580004370 986404213 /nfs/dbraw/zinc/40/42/13/986404213.db2.gz JGGLDUDJUKITBD-WCBMZHEXSA-N 2 0 242.754 1.291 20 0 BDADRP CO[C@@H](C[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1)C1CC1 ZINC001462619230 986457571 /nfs/dbraw/zinc/45/75/71/986457571.db2.gz QLHOVWFSTOCEMX-RDBSUJKOSA-N 2 0 238.375 1.295 20 0 BDADRP [NH3+][C@H](C[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C1CC1 ZINC001580133464 986599436 /nfs/dbraw/zinc/59/94/36/986599436.db2.gz ZKIVKSFUFKJIQD-BSCCGWMCSA-N 2 0 236.359 1.127 20 0 BDADRP [NH3+][C@H]1CC12CC([NH2+]Cc1ccc(CO)cc1)C2 ZINC001580166055 986640664 /nfs/dbraw/zinc/64/06/64/986640664.db2.gz OSIKTSNVZSKXBR-MOKVOYLWSA-N 2 0 232.327 1.148 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+][C@H]1CCO[C@H](C3CC3)C1)C2 ZINC001580167035 986641328 /nfs/dbraw/zinc/64/13/28/986641328.db2.gz SPWIXZGGLAWODE-AQPKCQGTSA-N 2 0 236.359 1.413 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+][C@@H]1CCO[C@H](C3CC3)C1)C2 ZINC001580167038 986642567 /nfs/dbraw/zinc/64/25/67/986642567.db2.gz SPWIXZGGLAWODE-IAFLXDRLSA-N 2 0 236.359 1.413 20 0 BDADRP [NH3+][C@H]1CC12CC([NH2+]CC1CCC(O)CC1)C2 ZINC001580165892 986643062 /nfs/dbraw/zinc/64/30/62/986643062.db2.gz NONAKBCWAPWSAN-RFMXUXEOSA-N 2 0 224.348 1.007 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+][C@@H]1CCO[C@@H](C3CC3)C1)C2 ZINC001580167040 986643753 /nfs/dbraw/zinc/64/37/53/986643753.db2.gz SPWIXZGGLAWODE-LYPMUSHJSA-N 2 0 236.359 1.413 20 0 BDADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H]1CCCC[C@H]1O)C2 ZINC001580170794 986649036 /nfs/dbraw/zinc/64/90/36/986649036.db2.gz ZKSWUZAOFJKIDH-PDWCTOEPSA-N 2 0 238.375 1.349 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH+]2CCC[C@@H](CO)CC2)CC1 ZINC001254516349 986651641 /nfs/dbraw/zinc/65/16/41/986651641.db2.gz LYTDQJPMNMCMPG-ZIAGYGMSSA-N 2 0 240.391 1.565 20 0 BDADRP COCC[NH+](CCOC)[C@@H]1CCC[N@H+](C)CC1 ZINC001254515728 986651820 /nfs/dbraw/zinc/65/18/20/986651820.db2.gz BPEMUWVOODDPLT-CYBMUJFWSA-N 2 0 244.379 1.066 20 0 BDADRP [NH3+]C1CCN(CC[NH2+][C@H]2C[C@@H]3CCC[C@@H]32)CC1 ZINC001580189858 986652201 /nfs/dbraw/zinc/65/22/01/986652201.db2.gz RZBHGAJFIQPWHI-UBHSHLNASA-N 2 0 237.391 1.188 20 0 BDADRP C[C@@H]1CC[N@@H+]([C@@H]2CCC[NH+](C)CC2)CC[C@H]1O ZINC001254515912 986652268 /nfs/dbraw/zinc/65/22/68/986652268.db2.gz GKLQYANRTFLHIT-MGPQQGTHSA-N 2 0 240.391 1.564 20 0 BDADRP [NH3+]C[C@]12C[N@H+](Cc3cn[nH]c3)C[C@@H]1CCCC2 ZINC001580254497 986707659 /nfs/dbraw/zinc/70/76/59/986707659.db2.gz CZCCNACGBKZQAM-QWHCGFSZSA-N 2 0 234.347 1.361 20 0 BDADRP [NH3+]C[C@@H]1CN(CC23CCC(CC2)C3)CCO1 ZINC001580274043 986724431 /nfs/dbraw/zinc/72/44/31/986724431.db2.gz CPEATLIWGCKVCJ-OTTFEQOBSA-N 2 0 224.348 1.226 20 0 BDADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cc[nH]c(=O)c2)C1 ZINC001580287426 986731054 /nfs/dbraw/zinc/73/10/54/986731054.db2.gz UNWAWZIGJJFBQR-LLVKDONJSA-N 2 0 235.331 1.348 20 0 BDADRP [NH3+]CCCCCC[NH2+]Cc1cnn2c1CCC2 ZINC001580293411 986737592 /nfs/dbraw/zinc/73/75/92/986737592.db2.gz ZTCNQYLPNRGAOV-UHFFFAOYSA-N 2 0 236.363 1.438 20 0 BDADRP [NH3+]CCCCCC[NH2+]Cc1ccc(CO)o1 ZINC001580293345 986738340 /nfs/dbraw/zinc/73/83/40/986738340.db2.gz SVKLFRQTHNREEQ-UHFFFAOYSA-N 2 0 226.320 1.381 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)cc1 ZINC001580339935 986782858 /nfs/dbraw/zinc/78/28/58/986782858.db2.gz XEDCLXDFSDXFCJ-CABCVRRESA-N 2 0 246.354 1.802 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(=O)[nH]c1 ZINC001580372126 986796910 /nfs/dbraw/zinc/79/69/10/986796910.db2.gz XXUUVJRMFKHIST-GHMZBOCLSA-N 2 0 221.304 1.147 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@](O)(C3CC3)C2)C1 ZINC001580387259 986813620 /nfs/dbraw/zinc/81/36/20/986813620.db2.gz VBGGQDUIDSOQHP-IACUBPJLSA-N 2 0 238.375 1.351 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2C[C@H](O)C23CCC3)C1 ZINC001580389528 986815799 /nfs/dbraw/zinc/81/57/99/986815799.db2.gz MXOHKJPSAFFGQU-QCNOEVLYSA-N 2 0 224.348 1.007 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+]C2([C@@H]3CCCCO3)CC2)C1 ZINC001580389248 986816625 /nfs/dbraw/zinc/81/66/25/986816625.db2.gz FQNRKNSVDTWMMX-XQQFMLRXSA-N 2 0 238.375 1.805 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@H]3[C@@H](C2)C3(F)F)C1 ZINC001580419230 986829116 /nfs/dbraw/zinc/82/91/16/986829116.db2.gz ZBDWPHVDDRAZDS-QCLAVDOMSA-N 2 0 216.275 1.311 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]C[C@H]2CC2(Cl)Cl)C1 ZINC001580429908 986848444 /nfs/dbraw/zinc/84/84/44/986848444.db2.gz APDIPYGRXNVKOW-FSDSQADBSA-N 2 0 209.120 1.260 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC001580430423 986848641 /nfs/dbraw/zinc/84/86/41/986848641.db2.gz LSMDBZCQNRSTQO-IJLUTSLNSA-N 2 0 224.348 1.415 20 0 BDADRP Nc1ncccc1C[NH2+]C[C@H]1CCC[NH2+]CC1 ZINC001580472556 986868970 /nfs/dbraw/zinc/86/89/70/986868970.db2.gz NEDOIVFORLLMFU-NSHDSACASA-N 2 0 234.347 1.143 20 0 BDADRP CC(C)N(C[C@@H](C)[NH3+])[C@H]1CCC[NH2+]CC1 ZINC001206583016 986900135 /nfs/dbraw/zinc/90/01/35/986900135.db2.gz RVUMKSRSOSQZII-NEPJUHHUSA-N 2 0 213.369 1.186 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]C1CC2(COC2)C1 ZINC001255945470 987077423 /nfs/dbraw/zinc/07/74/23/987077423.db2.gz LBIMLPJSZJZHJU-LBPRGKRZSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1cnc(C[NH3+])n1C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256615472 987245991 /nfs/dbraw/zinc/24/59/91/987245991.db2.gz JXJNFTWDVWMYBR-FOSCPWQOSA-N 2 0 234.347 1.448 20 0 BDADRP CCCCOC[C@H](O)C[NH2+]CC1([NH3+])CCCC1 ZINC001245972846 987246173 /nfs/dbraw/zinc/24/61/73/987246173.db2.gz FPYPBUWBLLBHGV-GFCCVEGCSA-N 2 0 244.379 1.025 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](C[NH2+]C[C@@H](O)C(C)(C)C)C1 ZINC001245989844 987261553 /nfs/dbraw/zinc/26/15/53/987261553.db2.gz HDSHKLKIOUSHMY-QJPTWQEYSA-N 2 0 228.380 1.229 20 0 BDADRP CC(C)(C)OC[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC001245983943 987264660 /nfs/dbraw/zinc/26/46/60/987264660.db2.gz KPEBDLNAKXIVQQ-UTUOFQBUSA-N 2 0 244.379 1.022 20 0 BDADRP CCCCC[C@H](O)C[NH2+]C[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001245988709 987270266 /nfs/dbraw/zinc/27/02/66/987270266.db2.gz FEZJZPHGIVMINI-MJBXVCDLSA-N 2 0 242.407 1.763 20 0 BDADRP CCCC[C@H](O)C[NH2+]C[C@@H]1C[NH2+]C[C@H](C)C1 ZINC001245995085 987279095 /nfs/dbraw/zinc/27/90/95/987279095.db2.gz SOZSAEOJKVBVDF-AGIUHOORSA-N 2 0 228.380 1.373 20 0 BDADRP C[NH+]1CCC(C[N@H+](CCO)CC2CC2)CC1 ZINC000691587144 987284274 /nfs/dbraw/zinc/28/42/74/987284274.db2.gz TVOXFOREXSVTID-UHFFFAOYSA-N 2 0 226.364 1.033 20 0 BDADRP C[C@@H](O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000692950607 987299620 /nfs/dbraw/zinc/29/96/20/987299620.db2.gz SGVWJRNMKBWVSV-YPMHNXCESA-N 2 0 226.364 1.079 20 0 BDADRP CCC[N@@H+]1CC[C@H](CN[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000693030515 987302683 /nfs/dbraw/zinc/30/26/83/987302683.db2.gz HUBRFBSTBNSSFC-MJBXVCDLSA-N 2 0 239.407 1.448 20 0 BDADRP CCC[C@H](O)C[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246022844 987311582 /nfs/dbraw/zinc/31/15/82/987311582.db2.gz PHPSBSYAJRLMKG-RYUDHWBXSA-N 2 0 232.343 1.300 20 0 BDADRP CCC[C@H](O)C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246022123 987311612 /nfs/dbraw/zinc/31/16/12/987311612.db2.gz OWPOJPBODHRCSU-STQMWFEESA-N 2 0 228.380 1.598 20 0 BDADRP CCC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001246021623 987313813 /nfs/dbraw/zinc/31/38/13/987313813.db2.gz KYMGBVOZWBEJCS-UPJWGTAASA-N 2 0 228.380 1.454 20 0 BDADRP C[C@H]1C[N@H+](CC(C)(C)O)CCC[C@@H]1C[NH3+] ZINC001246027433 987322981 /nfs/dbraw/zinc/32/29/81/987322981.db2.gz HNTMTITULVOXRS-WDEREUQCSA-N 2 0 214.353 1.064 20 0 BDADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCC[C@@H]1C[NH3+] ZINC001246027429 987324885 /nfs/dbraw/zinc/32/48/85/987324885.db2.gz HNTMTITULVOXRS-GHMZBOCLSA-N 2 0 214.353 1.064 20 0 BDADRP C[C@H]1COCC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000697034795 987346326 /nfs/dbraw/zinc/34/63/26/987346326.db2.gz AHVASPRGOGAOJX-OLZOCXBDSA-N 2 0 226.364 1.344 20 0 BDADRP CC[N@H+](C[C@@H]1CCCC[NH2+]C1)[C@H]1CCCOC1 ZINC000697033786 987347016 /nfs/dbraw/zinc/34/70/16/987347016.db2.gz JEGUNDBFYKUQCH-KGLIPLIRSA-N 2 0 240.391 1.877 20 0 BDADRP CCCC[C@H](O)C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001246060952 987351224 /nfs/dbraw/zinc/35/12/24/987351224.db2.gz RZBFMBGLYYDTEQ-HZSPNIEDSA-N 2 0 240.391 1.611 20 0 BDADRP O[C@H](C[NH2+]C1(C2CCC2)CC1)C[NH+]1CCCC1 ZINC000697353009 987352769 /nfs/dbraw/zinc/35/27/69/987352769.db2.gz WTXBRYLBAYRLPS-CYBMUJFWSA-N 2 0 238.375 1.365 20 0 BDADRP C[NH2+]CCN[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246072556 987361479 /nfs/dbraw/zinc/36/14/79/987361479.db2.gz JAWAOKITJVNPSM-LBPRGKRZSA-N 2 0 225.380 1.250 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H](C[NH3+])c2ccccc2)CC[NH2+]1 ZINC001246075887 987363310 /nfs/dbraw/zinc/36/33/10/987363310.db2.gz LYVKZVNRXZWOJK-BNOWGMLFSA-N 2 0 233.359 1.417 20 0 BDADRP [NH3+]C1(C[NH2+]C2CCC3(COC3)CC2)CCCC1 ZINC001246075102 987364913 /nfs/dbraw/zinc/36/49/13/987364913.db2.gz HSDDBFWMCTZAGF-UHFFFAOYSA-N 2 0 238.375 1.807 20 0 BDADRP C[NH2+]C1CCC([NH2+]CC2([NH3+])CCCC2)CC1 ZINC001246077712 987368574 /nfs/dbraw/zinc/36/85/74/987368574.db2.gz XVKHREJAXGVEJB-UHFFFAOYSA-N 3 0 225.380 1.378 20 0 BDADRP C1C[C@@H](N[C@H]2CCCC[NH2+]C2)CS1 ZINC001246089499 987368836 /nfs/dbraw/zinc/36/88/36/987368836.db2.gz FNADHJGNVBEBKE-VHSXEESVSA-N 2 0 200.351 1.224 20 0 BDADRP C[C@@H]1CC[C@@H](N[C@@H](C[NH3+])c2ccccc2)C[NH2+]1 ZINC001246077273 987368906 /nfs/dbraw/zinc/36/89/06/987368906.db2.gz RYMTZLXVVARENW-BNOWGMLFSA-N 2 0 233.359 1.417 20 0 BDADRP C[C@@H]1C[C@@H](NCCCCCCCC[NH3+])C[NH2+]1 ZINC001246082208 987375116 /nfs/dbraw/zinc/37/51/16/987375116.db2.gz VYLCVSSXPLJTRG-CHWSQXEVSA-N 2 0 227.396 1.626 20 0 BDADRP CC[C@H]1C[C@H]([NH2+]C2CC[NH2+]CC2)CCO1 ZINC001246080557 987378234 /nfs/dbraw/zinc/37/82/34/987378234.db2.gz RKCFQYWMGGUFPH-NEPJUHHUSA-N 2 0 212.337 1.286 20 0 BDADRP Cc1oncc1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246084097 987379463 /nfs/dbraw/zinc/37/94/63/987379463.db2.gz VZUOSEGQBLLRMC-FOSCPWQOSA-N 2 0 221.304 1.356 20 0 BDADRP CC1([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CCCCC1 ZINC001246083649 987379991 /nfs/dbraw/zinc/37/99/91/987379991.db2.gz VMJGEZACIBNORM-GFCCVEGCSA-N 2 0 237.391 1.393 20 0 BDADRP CCSC[C@H](C)N[C@H]1CCCC[NH2+]C1 ZINC001246093933 987381529 /nfs/dbraw/zinc/38/15/29/987381529.db2.gz YSNNAQAXTWWFTA-QWRGUYRKSA-N 2 0 216.394 1.860 20 0 BDADRP C[C@H]1CC[C@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[NH2+]1 ZINC001246083732 987381584 /nfs/dbraw/zinc/38/15/84/987381584.db2.gz JANLFPPSTIXRTD-PDWCTOEPSA-N 2 0 237.391 1.390 20 0 BDADRP CC(C)[C@@H]1C[C@H](N[C@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC001246089552 987393435 /nfs/dbraw/zinc/39/34/35/987393435.db2.gz GHFZKZPOHATRKE-RDBSUJKOSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H]1CC[C@H](NC[C@]2(C)CCCC[NH2+]C2)C[NH2+]1 ZINC001246089893 987394254 /nfs/dbraw/zinc/39/42/54/987394254.db2.gz HOADMGCJHFHSQR-HZSPNIEDSA-N 2 0 239.407 1.496 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+]C2CCOCC2)C[NH2+]1 ZINC001246092126 987399859 /nfs/dbraw/zinc/39/98/59/987399859.db2.gz HZUNJVGXYSKBIR-MNOVXSKESA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C[NH2+]1 ZINC001246095050 987404253 /nfs/dbraw/zinc/40/42/53/987404253.db2.gz JFUYOVXHTGCNLJ-RKQHYHRCSA-N 2 0 240.391 1.920 20 0 BDADRP C[C@@H]1CC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[NH2+]1 ZINC001246096925 987407864 /nfs/dbraw/zinc/40/78/64/987407864.db2.gz NQTLJYBKYBTLJR-LSGALXMHSA-N 2 0 237.391 1.247 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246098954 987414839 /nfs/dbraw/zinc/41/48/39/987414839.db2.gz UITAIAHHXPXBFE-BEUHCMRWSA-N 2 0 237.391 1.247 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](CN[C@H]2CC[NH2+]C(C)(C)C2)C1 ZINC001246099411 987418904 /nfs/dbraw/zinc/41/89/04/987418904.db2.gz LTOBFBVWHUMCAP-XQQFMLRXSA-N 2 0 239.407 1.352 20 0 BDADRP C[C@@]1(N[C@@H]2CCCC[NH2+]C2)CCC[NH2+]CC1 ZINC001246103512 987426805 /nfs/dbraw/zinc/42/68/05/987426805.db2.gz VQKMXCMPDXHHDY-CHWSQXEVSA-N 2 0 225.380 1.250 20 0 BDADRP COC(=O)CC[C@H](C)[NH2+]C[C@H]1CCC[NH2+][C@@H]1C ZINC001246105440 987431832 /nfs/dbraw/zinc/43/18/32/987431832.db2.gz AZKUYEVEEQCBLT-QJPTWQEYSA-N 2 0 242.363 1.306 20 0 BDADRP C[C@@H]1CC[C@@H](NC[C@@]2(F)CCCC[NH2+]C2)C[NH2+]1 ZINC001246105285 987433663 /nfs/dbraw/zinc/43/36/63/987433663.db2.gz BCJZKCLQWXUJAX-JHJVBQTASA-N 2 0 243.370 1.198 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1CN[C@H]1CCC[NH2+]CC1 ZINC001246104954 987433669 /nfs/dbraw/zinc/43/36/69/987433669.db2.gz AGYOFFQQOXFSPJ-AVGNSLFASA-N 2 0 225.380 1.106 20 0 BDADRP CC[NH+]1CCC(NC[C@@H]2CC[C@@H](C)C[NH2+]2)CC1 ZINC001246105153 987434627 /nfs/dbraw/zinc/43/46/27/987434627.db2.gz MGJSYOOUULHGAY-OCCSQVGLSA-N 2 0 239.407 1.448 20 0 BDADRP C(C[NH2+][C@H]1CCCNC1)CC1CC[NH2+]CC1 ZINC001246107694 987436299 /nfs/dbraw/zinc/43/62/99/987436299.db2.gz UIEDIHAZQDBPFL-ZDUSSCGKSA-N 2 0 225.380 1.108 20 0 BDADRP F[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246107350 987437545 /nfs/dbraw/zinc/43/75/45/987437545.db2.gz AOGRVZYHAZGAQD-OGZKGVCFSA-N 2 0 212.312 1.750 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCCSC1 ZINC001246109791 987441089 /nfs/dbraw/zinc/44/10/89/987441089.db2.gz HACDRABCEUFTDW-IJLUTSLNSA-N 2 0 228.405 1.717 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH2+][C@H]2C)C[C@H](C)O1 ZINC001246109110 987441366 /nfs/dbraw/zinc/44/13/66/987441366.db2.gz JKJREZHFMFBGDI-NDKCEZKHSA-N 2 0 240.391 1.920 20 0 BDADRP C[NH2+]CC[C@@H](C)[NH2+]Cc1ccc2c(c1)CC[NH2+]C2 ZINC001246109327 987442921 /nfs/dbraw/zinc/44/29/21/987442921.db2.gz NWGJXTQFTOIPJJ-GFCCVEGCSA-N 3 0 247.386 1.420 20 0 BDADRP C(N[C@H]1CCCC[NH2+]C1)[C@H]1CCCC[NH2+]C1 ZINC001246109215 987443339 /nfs/dbraw/zinc/44/33/39/987443339.db2.gz ACKMGJBUISYDKC-STQMWFEESA-N 2 0 225.380 1.108 20 0 BDADRP CC[C@@H]1C[C@H](NC[C@@H]2CC[C@H](C)C[NH2+]2)CC[NH2+]1 ZINC001246110235 987443344 /nfs/dbraw/zinc/44/33/44/987443344.db2.gz HSXXDBXMQMMUEH-DGAVXFQQSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@H]1[NH2+]CCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001246110833 987444346 /nfs/dbraw/zinc/44/43/46/987444346.db2.gz MKIQEKKLGWNAJK-YJBUHQLJSA-N 2 0 238.375 1.674 20 0 BDADRP C[C@@H]1CC(NC[C@@H]2C[NH2+]CC[C@@H]2C)C[C@@H](C)[NH2+]1 ZINC001246112116 987444467 /nfs/dbraw/zinc/44/44/67/987444467.db2.gz NBBYLIVMZKRPGO-LOWDOPEQSA-N 3 0 239.407 1.351 20 0 BDADRP C[C@@H]1CC(NC[C@@H]2C[NH2+]CC[C@H]2C)C[C@@H](C)[NH2+]1 ZINC001246112117 987446913 /nfs/dbraw/zinc/44/69/13/987446913.db2.gz NBBYLIVMZKRPGO-LPWJVIDDSA-N 3 0 239.407 1.351 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1C[NH2+][C@H]1CCCOCC1 ZINC001246110958 987447467 /nfs/dbraw/zinc/44/74/67/987447467.db2.gz NEGMMTPFORROJG-AVGNSLFASA-N 2 0 226.364 1.533 20 0 BDADRP [NH3+][C@H]1Cc2ccccc2N([C@H]2CCC[NH2+]C2)C1 ZINC001246113083 987448932 /nfs/dbraw/zinc/44/89/32/987448932.db2.gz IMIYOGFNRWISNF-STQMWFEESA-N 2 0 231.343 1.128 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1CN[C@H]1CCCC[NH2+]C1 ZINC001246112594 987450797 /nfs/dbraw/zinc/45/07/97/987450797.db2.gz RSBLLRQSLSESMV-XQQFMLRXSA-N 2 0 225.380 1.106 20 0 BDADRP CCCC[C@@H]1C[C@@H](N[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC001246115817 987454315 /nfs/dbraw/zinc/45/43/15/987454315.db2.gz JJAXGCRBWJQIOM-AGIUHOORSA-N 2 0 225.380 1.249 20 0 BDADRP C[C@@H]1C[C@H](NC[C@@H]2CCC[NH2+][C@H]2C)CC[NH2+]1 ZINC001246114466 987454333 /nfs/dbraw/zinc/45/43/33/987454333.db2.gz WQOOWWMCIZZXSF-MROQNXINSA-N 2 0 225.380 1.105 20 0 BDADRP CCCC[C@H]1C[C@@H](NCCC[NH2+]C)CC[NH2+]1 ZINC001246114937 987456168 /nfs/dbraw/zinc/45/61/68/987456168.db2.gz QKNXDBKLCWKAQC-STQMWFEESA-N 2 0 227.396 1.496 20 0 BDADRP C[C@H]1CC[NH2+]C[C@H]1C[NH2+]C1CCSCC1 ZINC001246117290 987459868 /nfs/dbraw/zinc/45/98/68/987459868.db2.gz YZGIDMKJPYHTLZ-QWRGUYRKSA-N 2 0 228.405 1.717 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2CCC[NH2+]C[C@H]2C)CC[NH2+]1 ZINC001246119625 987463619 /nfs/dbraw/zinc/46/36/19/987463619.db2.gz WRTCEFPMHBYMRI-LPWJVIDDSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1CC[C@H](NC[C@H]2CCCC[NH2+]C2)C[NH2+]1 ZINC001246117895 987465282 /nfs/dbraw/zinc/46/52/82/987465282.db2.gz MVXFCOIYMFJOBR-AGIUHOORSA-N 2 0 225.380 1.106 20 0 BDADRP C1CC12C[NH2+]C[C@H]2N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246127838 987479554 /nfs/dbraw/zinc/47/95/54/987479554.db2.gz CHYYIHBFRQEVNJ-NWDGAFQWSA-N 2 0 235.375 1.003 20 0 BDADRP C[C@@H]1CC([NH2+][C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)C[C@@H](C)C1 ZINC001246135782 987492251 /nfs/dbraw/zinc/49/22/51/987492251.db2.gz CLEYYNCKUVHZMG-SAUGFPQOSA-N 2 0 238.375 1.388 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)C[C@H]1C ZINC001246140150 987497372 /nfs/dbraw/zinc/49/73/72/987497372.db2.gz ZFZFCYXPTUHIIO-FAYOZSNISA-N 2 0 238.375 1.388 20 0 BDADRP C1[C@H]2C[NH2+]C[C@@]12NC1CCC2(CC[NH2+]CC2)CC1 ZINC001246137724 987499520 /nfs/dbraw/zinc/49/95/20/987499520.db2.gz ZXOGMHDZERDRLK-WFASDCNBSA-N 2 0 249.402 1.250 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCn2cccc2)CC[NH2+]1 ZINC001246174461 987544061 /nfs/dbraw/zinc/54/40/61/987544061.db2.gz QKTGAOMMLBVJDJ-NEPJUHHUSA-N 2 0 207.321 1.218 20 0 BDADRP CCCC[N@H+](C)CCCN[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246183101 987556013 /nfs/dbraw/zinc/55/60/13/987556013.db2.gz DGCUZLBZRFDHPK-KBPBESRZSA-N 2 0 241.423 1.839 20 0 BDADRP CC1(C)C[C@@H](N[C@]2(C)CCC[NH2+]C2)CC[NH2+]1 ZINC001246186561 987565221 /nfs/dbraw/zinc/56/52/21/987565221.db2.gz DDQGRCACVPMFKA-WCQYABFASA-N 2 0 225.380 1.249 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@H]1CCC[NH2+]1)C2 ZINC001246186693 987567509 /nfs/dbraw/zinc/56/75/09/987567509.db2.gz GUGJUJWLFKNSCG-SYQHCUMBSA-N 2 0 237.391 1.343 20 0 BDADRP CO[C@H]1CCC[C@H]([NH2+]C[C@H]2CCC[NH2+]2)C1 ZINC001246186243 987568276 /nfs/dbraw/zinc/56/82/76/987568276.db2.gz GRYPLJCHAMZOKP-TUAOUCFPSA-N 2 0 212.337 1.286 20 0 BDADRP CC(C)(C)[C@H]1C[C@@H](NC[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC001246188428 987571679 /nfs/dbraw/zinc/57/16/79/987571679.db2.gz XBJQETFGDJIMSF-YNEHKIRRSA-N 2 0 239.407 1.495 20 0 BDADRP C[N@@H+]1CCC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246188562 987573504 /nfs/dbraw/zinc/57/35/04/987573504.db2.gz IQNQHLDRIVKCCG-ICIURTGMSA-N 2 0 237.391 1.343 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N[C@]2(C)CCC[NH2+]C2)CC[NH2+]1 ZINC001246191171 987578463 /nfs/dbraw/zinc/57/84/63/987578463.db2.gz UZBGYFHMQKEDSL-MELADBBJSA-N 2 0 239.407 1.495 20 0 BDADRP CC[C@@H]1C[C@@H](N[C@@]2(C)CCC[NH2+]C2)CC[NH2+]1 ZINC001246191135 987581069 /nfs/dbraw/zinc/58/10/69/987581069.db2.gz UVYIWTXLSUTGCK-AGIUHOORSA-N 2 0 225.380 1.249 20 0 BDADRP CC(C)(CCO)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246194325 987585382 /nfs/dbraw/zinc/58/53/82/987585382.db2.gz RJAAQFDBLODNLF-ZACCUICWSA-N 2 0 212.337 1.020 20 0 BDADRP CCOCC[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC001246199643 987596552 /nfs/dbraw/zinc/59/65/52/987596552.db2.gz YEJZHMVPZCQQBP-NEPJUHHUSA-N 2 0 214.353 1.391 20 0 BDADRP C[NH2+]C1CCC([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001246203982 987599773 /nfs/dbraw/zinc/59/97/73/987599773.db2.gz FSDHDMVNOOTMNQ-IKWCTNDRSA-N 3 0 225.380 1.377 20 0 BDADRP C[NH2+]C1CCC([NH2+]C[C@@H]2CCC[NH2+]C2)CC1 ZINC001246201707 987599891 /nfs/dbraw/zinc/59/98/91/987599891.db2.gz WWZFGKOQGMTKNR-PNESKVBLSA-N 3 0 225.380 1.106 20 0 BDADRP COC(=O)CCCCC[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246203002 987600692 /nfs/dbraw/zinc/60/06/92/987600692.db2.gz UXAPPCVZCYRNEK-NWDGAFQWSA-N 2 0 242.363 1.450 20 0 BDADRP COC(=O)CC[C@@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC001246204253 987600723 /nfs/dbraw/zinc/60/07/23/987600723.db2.gz HLJFMKDOERWAOC-GMTAPVOTSA-N 2 0 228.336 1.188 20 0 BDADRP C[C@H]1CC[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)CN1 ZINC001246210676 987606405 /nfs/dbraw/zinc/60/64/05/987606405.db2.gz JMCDRYJEJJIFMD-NWDGAFQWSA-N 2 0 225.380 1.106 20 0 BDADRP CCC1(N[C@H]2CC[NH2+][C@H](C(C)(C)C)C2)C[NH2+]C1 ZINC001246226241 987622424 /nfs/dbraw/zinc/62/24/24/987622424.db2.gz BYHMXFFWCVTROL-RYUDHWBXSA-N 2 0 239.407 1.495 20 0 BDADRP C([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCC[NH2+]CC1 ZINC001246227054 987622598 /nfs/dbraw/zinc/62/25/98/987622598.db2.gz STIODFZLPVAAPP-ICIURTGMSA-N 3 0 237.391 1.249 20 0 BDADRP OCc1ccccc1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246229124 987624895 /nfs/dbraw/zinc/62/48/95/987624895.db2.gz IFMICKGXDNEGCP-YIONKMFJSA-N 2 0 246.354 1.552 20 0 BDADRP C[C@@H]1CC[C@@H](n2cnc3ccc(C[NH3+])cc32)C[NH2+]1 ZINC001246228072 987625096 /nfs/dbraw/zinc/62/50/96/987625096.db2.gz DDDFKSBWHVPSCH-ZYHUDNBSSA-N 2 0 244.342 1.808 20 0 BDADRP CC(C)[C@H]1C[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246232129 987628657 /nfs/dbraw/zinc/62/86/57/987628657.db2.gz WHSSQZNXHROGPA-XJFOESAGSA-N 2 0 239.407 1.623 20 0 BDADRP C[C@@H]1CC[C@@H](N(C)C2CCC([NH3+])CC2)C[NH2+]1 ZINC001246231818 987629115 /nfs/dbraw/zinc/62/91/15/987629115.db2.gz HJZCSSDMJKUFFH-IKWCTNDRSA-N 2 0 225.380 1.329 20 0 BDADRP C[C@H]1C[C@H](n2cnc3ccc(C[NH3+])cc32)CC[NH2+]1 ZINC001246231936 987629588 /nfs/dbraw/zinc/62/95/88/987629588.db2.gz VIUDJHJPVZRUFT-CMPLNLGQSA-N 2 0 244.342 1.808 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2CCCC[C@@H]2[NH+](C)C)CC[NH2+]1 ZINC001246235138 987632050 /nfs/dbraw/zinc/63/20/50/987632050.db2.gz IYKRAHFEQCHQRH-MQYQWHSLSA-N 2 0 239.407 1.589 20 0 BDADRP CCC1(N[C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[NH2+]C1 ZINC001246233852 987633135 /nfs/dbraw/zinc/63/31/35/987633135.db2.gz FQBHXNPHNGNCDZ-ZSBIGDGJSA-N 2 0 223.364 1.001 20 0 BDADRP CC[C@@H]1C[C@@H](N[C@@H]2CC[C@H]([NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246233798 987633156 /nfs/dbraw/zinc/63/31/56/987633156.db2.gz AWTSERPHDZGDCV-QNSTZXKLSA-N 2 0 239.407 1.765 20 0 BDADRP CO[C@H]1C[NH2+]C[C@@H]1NC1CCCCCCC1 ZINC001246241125 987642278 /nfs/dbraw/zinc/64/22/78/987642278.db2.gz UOHXUHGHEFPKMV-STQMWFEESA-N 2 0 226.364 1.676 20 0 BDADRP C[Si](C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246267161 987661841 /nfs/dbraw/zinc/66/18/41/987661841.db2.gz MMGLGECSOLLRFT-ZACCUICWSA-N 2 0 212.413 1.736 20 0 BDADRP [NH3+]Cc1ccc2c(n1)N([C@@H]1CCC[NH2+]C1)CCC2 ZINC001246266133 987662315 /nfs/dbraw/zinc/66/23/15/987662315.db2.gz WEAMTJSJOODWOM-CYBMUJFWSA-N 2 0 246.358 1.045 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCc2ccccc2O)CC[NH2+]1 ZINC001246267643 987663439 /nfs/dbraw/zinc/66/34/39/987663439.db2.gz VDMIYQUPNUGVPE-DGCLKSJQSA-N 2 0 234.343 1.665 20 0 BDADRP [NH3+]C[C@@H](Cc1ccccc1)N[C@H]1CCCC[NH2+]C1 ZINC001246270427 987666693 /nfs/dbraw/zinc/66/66/93/987666693.db2.gz UVSGKCOWSJCZDB-LSDHHAIUSA-N 2 0 247.386 1.288 20 0 BDADRP CCC[NH2+]CCN[C@@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246270524 987667186 /nfs/dbraw/zinc/66/71/86/987667186.db2.gz ORIXIBRWXJPMNY-CHWSQXEVSA-N 2 0 227.396 1.352 20 0 BDADRP CC[C@@H]1C[C@@H](N[C@H]2CC[C@H]([NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246275611 987669867 /nfs/dbraw/zinc/66/98/67/987669867.db2.gz AWTSERPHDZGDCV-HPCHECBXSA-N 2 0 239.407 1.765 20 0 BDADRP COc1ccc(CC[NH2+][C@H]2CC[NH2+][C@H](C)C2)nc1 ZINC001246274672 987670201 /nfs/dbraw/zinc/67/02/01/987670201.db2.gz ZPYOSCSOJXVKAZ-YPMHNXCESA-N 2 0 249.358 1.363 20 0 BDADRP CC[NH2+]CCNC1C[C@@H](CC)[NH2+][C@H](CC)C1 ZINC001246274313 987670485 /nfs/dbraw/zinc/67/04/85/987670485.db2.gz VVRKESGCBSRJTP-VXGBXAGGSA-N 2 0 227.396 1.495 20 0 BDADRP Cc1cccc(C(=[NH2+])N[C@H]2CCC[NH2+]C2)c1 ZINC001246282274 987675164 /nfs/dbraw/zinc/67/51/64/987675164.db2.gz CAZOLMHXYPHZJI-LBPRGKRZSA-N 2 0 217.316 1.662 20 0 BDADRP CC1(C)C[C@H](N[C@@H]2CCC[NH2+]C2)C(C)(C)N1O ZINC001246285188 987678092 /nfs/dbraw/zinc/67/80/92/987678092.db2.gz GOAFJTCBSIXZOX-MNOVXSKESA-N 2 0 241.379 1.349 20 0 BDADRP C[C@H]([NH2+]C1CC[NH2+]CC1)c1ccccc1N ZINC001246286802 987681415 /nfs/dbraw/zinc/68/14/15/987681415.db2.gz DSGFCCRJUCMYES-JTQLQIEISA-N 2 0 219.332 1.671 20 0 BDADRP CC[NH+]1CCC(C[N@H+]2CC=CCC2)CC1 ZINC001474393230 987708616 /nfs/dbraw/zinc/70/86/16/987708616.db2.gz LZCANKJNNHJLGC-UHFFFAOYSA-N 2 0 208.349 1.980 20 0 BDADRP CC[C@H](C)OCC[C@@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC001246307606 987709598 /nfs/dbraw/zinc/70/95/98/987709598.db2.gz ZEGOTGQZXCFGGU-TUAOUCFPSA-N 2 0 216.369 1.907 20 0 BDADRP CCOC(=O)CCC[C@H](C)[NH2+]C[C@@H]([NH3+])CC ZINC001246310967 987710774 /nfs/dbraw/zinc/71/07/74/987710774.db2.gz BCDMFTSMRZRGHG-QWRGUYRKSA-N 2 0 230.352 1.435 20 0 BDADRP Oc1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH2+]CC1)CC2 ZINC001246312989 987715485 /nfs/dbraw/zinc/71/54/85/987715485.db2.gz XLBSYEIXBOFFNE-AWEZNQCLSA-N 2 0 246.354 1.591 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@H](C(=O)OC)C1 ZINC001246312091 987716702 /nfs/dbraw/zinc/71/67/02/987716702.db2.gz FPOGXOITVCTBDU-GARJFASQSA-N 2 0 228.336 1.045 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@H]1CCc2ncsc2C1 ZINC001246315751 987719249 /nfs/dbraw/zinc/71/92/49/987719249.db2.gz WALGUKLKOHREHR-IUCAKERBSA-N 2 0 225.361 1.327 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CCc2ncsc2C1 ZINC001246315750 987720634 /nfs/dbraw/zinc/72/06/34/987720634.db2.gz WALGUKLKOHREHR-DTWKUNHWSA-N 2 0 225.361 1.327 20 0 BDADRP [NH3+]CCc1cccn1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246314856 987721486 /nfs/dbraw/zinc/72/14/86/987721486.db2.gz ZQORDGHLBUJGCD-QYJAPNMZSA-N 2 0 219.332 1.445 20 0 BDADRP CO[C@@H](C)C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001474443043 987724753 /nfs/dbraw/zinc/72/47/53/987724753.db2.gz PHZZSILHCOUQBT-STQMWFEESA-N 2 0 244.379 1.112 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[NH3+])CC[NH2+]1 ZINC001246322250 987727516 /nfs/dbraw/zinc/72/75/16/987727516.db2.gz GQJYTXSGCDDBPS-BXUZGUMPSA-N 3 0 233.359 1.375 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246320607 987727778 /nfs/dbraw/zinc/72/77/78/987727778.db2.gz YZLCIGJFKLXKAN-NWDGAFQWSA-N 3 0 225.380 1.236 20 0 BDADRP C[C@H]1[NH2+]CCC[C@H]1N[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246324650 987730580 /nfs/dbraw/zinc/73/05/80/987730580.db2.gz IRMDQGFUYDGLOQ-GRYCIOLGSA-N 2 0 225.380 1.247 20 0 BDADRP CC[C@@H]1C[C@@H](N[C@H]2CCC[NH2+][C@@H]2C)CC[NH2+]1 ZINC001246326479 987731546 /nfs/dbraw/zinc/73/15/46/987731546.db2.gz PIPHHBQFWNDUEK-NDBYEHHHSA-N 2 0 225.380 1.247 20 0 BDADRP C[C@@H]1C[C@H](N2C[C@H](C[NH3+])c3ccccc32)CC[NH2+]1 ZINC001246329831 987733695 /nfs/dbraw/zinc/73/36/95/987733695.db2.gz XUOFNAMTINVNKR-FRRDWIJNSA-N 2 0 245.370 1.689 20 0 BDADRP C[C@H](C[NH2+]C1CC[NH2+]CC1)CC(C)(C)CC[NH3+] ZINC001246331717 987737708 /nfs/dbraw/zinc/73/77/08/987737708.db2.gz CCYGVWMGULEENN-LBPRGKRZSA-N 3 0 241.423 1.729 20 0 BDADRP [NH3+][C@@]12CC[C@@](N[C@@H]3CCC[NH2+]C3)(C1)CCC2 ZINC001246332251 987738745 /nfs/dbraw/zinc/73/87/45/987738745.db2.gz GRBJEQMBOKMWED-FRRDWIJNSA-N 2 0 223.364 1.132 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C2CCC(CCO)CC2)CC[NH2+]1 ZINC001246331397 987739477 /nfs/dbraw/zinc/73/94/77/987739477.db2.gz BGIZMALTCRKZCU-ABXWRUBCSA-N 2 0 240.391 1.658 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCN2CCC[C@H](F)C2)CC[NH2+]1 ZINC001246344435 987752599 /nfs/dbraw/zinc/75/25/99/987752599.db2.gz ZEIUNICLYBOTRZ-AGIUHOORSA-N 2 0 243.370 1.150 20 0 BDADRP C[C@H]1C[C@H](N[C@@H](C[NH3+])C(C)(C)C)CC[NH2+]1 ZINC001246343724 987753090 /nfs/dbraw/zinc/75/30/90/987753090.db2.gz HMJHSPVVIXUUNQ-AXFHLTTASA-N 2 0 213.369 1.090 20 0 BDADRP C[C@@H]1CC[C@@H](N[C@@H](C[NH3+])C(C)(C)C)C[NH2+]1 ZINC001246344970 987753604 /nfs/dbraw/zinc/75/36/04/987753604.db2.gz LRCUMTBLINHGEZ-MXWKQRLJSA-N 2 0 213.369 1.090 20 0 BDADRP C[C@H](Cc1cccc(O)c1)[NH2+][C@H]1CCCNC1 ZINC001246355683 987763749 /nfs/dbraw/zinc/76/37/49/987763749.db2.gz ZJVYEJVPRSTPCN-YPMHNXCESA-N 2 0 234.343 1.665 20 0 BDADRP C[C@@H]1C[C@@H](Nc2cccc(CC[NH3+])c2)CC[NH2+]1 ZINC001246362991 987767213 /nfs/dbraw/zinc/76/72/13/987767213.db2.gz JSFJPFYUWZJYNT-RISCZKNCSA-N 2 0 233.359 1.740 20 0 BDADRP C[C@H]1CC[C@H](N[C@H]2CC[N@@H+](C3CCC3)C2)C[NH2+]1 ZINC001246359449 987768600 /nfs/dbraw/zinc/76/86/00/987768600.db2.gz BPNIRWHXPYTQOT-AVGNSLFASA-N 2 0 237.391 1.343 20 0 BDADRP CC[NH+]1CCC(C[N@H+](C)CC2CN(C)C2)CC1 ZINC001474617849 987780711 /nfs/dbraw/zinc/78/07/11/987780711.db2.gz PQGUPQDWKWQNRE-UHFFFAOYSA-N 2 0 239.407 1.212 20 0 BDADRP CCC1([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CCC1 ZINC001246388092 987780901 /nfs/dbraw/zinc/78/09/01/987780901.db2.gz SERJLDVVWRESDL-LLVKDONJSA-N 2 0 223.364 1.003 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H](C)C2)CC[NH2+]1 ZINC001246395416 987783113 /nfs/dbraw/zinc/78/31/13/987783113.db2.gz MGJWVRZSRZLTNS-WISYIIOYSA-N 2 0 212.337 1.284 20 0 BDADRP [NH3+]CCNCC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001246407218 987788709 /nfs/dbraw/zinc/78/87/09/987788709.db2.gz XISWJBPVQCHULP-HUUCEWRRSA-N 2 0 247.386 1.461 20 0 BDADRP CCC1([NH2+][C@@H]2CC[NH2+][C@H](C)C2)CCOCC1 ZINC001246441249 987791689 /nfs/dbraw/zinc/79/16/89/987791689.db2.gz LOQYJJRYHNJYOR-VXGBXAGGSA-N 2 0 226.364 1.676 20 0 BDADRP CCC1(C[NH2+][C@H](C)CC[NH2+]C)CC[NH2+]CC1 ZINC001246423138 987793521 /nfs/dbraw/zinc/79/35/21/987793521.db2.gz OGCYKPLGNMEBND-GFCCVEGCSA-N 3 0 227.396 1.354 20 0 BDADRP CC[C@@H]1C[C@@H](NCC[NH2+]C(C)C)C[C@H](CC)[NH2+]1 ZINC001246451890 987793925 /nfs/dbraw/zinc/79/39/25/987793925.db2.gz IDBHAKAWIBTBNK-BTTYYORXSA-N 2 0 241.423 1.883 20 0 BDADRP Cc1cccnc1C1(C[NH2+]C2CC[NH2+]CC2)CC1 ZINC001246438885 987797713 /nfs/dbraw/zinc/79/77/13/987797713.db2.gz KERTXGWBNPIJQL-UHFFFAOYSA-N 2 0 245.370 1.763 20 0 BDADRP C[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CC12C[NH2+]C2 ZINC001246445103 987798848 /nfs/dbraw/zinc/79/88/48/987798848.db2.gz MKKWOSAMNLYNLJ-MFKMUULPSA-N 2 0 234.318 1.708 20 0 BDADRP Clc1cccc2c1C[C@H]([NH2+][C@H]1CC13C[NH2+]C3)C2 ZINC001246442578 987799423 /nfs/dbraw/zinc/79/94/23/987799423.db2.gz DEPINBXTPXQFQA-MFKMUULPSA-N 2 0 248.757 1.759 20 0 BDADRP C[C@@H](Cc1ccccc1F)[NH2+][C@@H]1CC12C[NH2+]C2 ZINC001246441806 987800046 /nfs/dbraw/zinc/80/00/46/987800046.db2.gz ACTZPFIEBGEQFX-GXFFZTMASA-N 2 0 234.318 1.708 20 0 BDADRP CSCC[C@H](C)[NH2+][C@H]1CC12C[NH2+]C2 ZINC001246445165 987800134 /nfs/dbraw/zinc/80/01/34/987800134.db2.gz NBODHTBSAYVCAY-IUCAKERBSA-N 2 0 200.351 1.080 20 0 BDADRP Cc1ccnc(C2(CN[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC001246440120 987800566 /nfs/dbraw/zinc/80/05/66/987800566.db2.gz RXWQDMOMROMWFO-CYBMUJFWSA-N 2 0 245.370 1.763 20 0 BDADRP CCN1CC[C@H]1C[NH2+]CC1CC[NH+](CC)CC1 ZINC001474683491 987801149 /nfs/dbraw/zinc/80/11/49/987801149.db2.gz ZTVFEQYILXHONG-AWEZNQCLSA-N 2 0 239.407 1.402 20 0 BDADRP CC[C@@H]1C[C@H](N[C@H]2CC23C[NH2+]C3)C[C@H](CC)[NH2+]1 ZINC001246444250 987803060 /nfs/dbraw/zinc/80/30/60/987803060.db2.gz JDLJVLVQOWGSMX-LOWDOPEQSA-N 2 0 237.391 1.247 20 0 BDADRP C[C@H]1CC([NH2+][C@H]2CC23C[NH2+]C3)C[C@H](C)C1 ZINC001246445556 987803430 /nfs/dbraw/zinc/80/34/30/987803430.db2.gz PAJNUHBTPZNBEY-FOGDFJRCSA-N 2 0 208.349 1.763 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C2(Cc3cccnc3)CC2)CC[NH2+]1 ZINC001246447726 987804665 /nfs/dbraw/zinc/80/46/65/987804665.db2.gz QVBFWWDGNCLBRL-OCCSQVGLSA-N 2 0 245.370 1.887 20 0 BDADRP CC(C)OC(=O)CC[C@@H](C)[NH2+][C@@H]1CC12C[NH2+]C2 ZINC001246448498 987806042 /nfs/dbraw/zinc/80/60/42/987806042.db2.gz ZAOXAQCRSXODML-GHMZBOCLSA-N 2 0 240.347 1.058 20 0 BDADRP C[C@H]1CC[C@@H]([NH2+]CCC[NH2+]CCCC[NH3+])C1 ZINC001246458751 987809113 /nfs/dbraw/zinc/80/91/13/987809113.db2.gz VCQGNTFWNOCWSY-QWHCGFSZSA-N 3 0 227.396 1.483 20 0 BDADRP C[C@@H]1CC[C@@H](n2c(C[NH3+])nc3cnccc32)C[NH2+]1 ZINC001246450682 987809251 /nfs/dbraw/zinc/80/92/51/987809251.db2.gz YNPVBAQLABSQTO-NXEZZACHSA-N 2 0 245.330 1.203 20 0 BDADRP CC(C)OCC[C@@H](C)[NH2+]CCCNCCC[NH3+] ZINC001246454941 987809322 /nfs/dbraw/zinc/80/93/22/987809322.db2.gz VJUBEEPRYXWMCT-CYBMUJFWSA-N 2 0 245.411 1.108 20 0 BDADRP CCC[C@@]1(C[NH2+]C2CCC([NH2+]C)CC2)CC[NH2+]1 ZINC001246454249 987810137 /nfs/dbraw/zinc/81/01/37/987810137.db2.gz BOMUSZUSXBTOIU-RUXDESIVSA-N 3 0 239.407 1.639 20 0 BDADRP CC[C@@]1(CN[C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)CCC[NH2+]1 ZINC001246456825 987813369 /nfs/dbraw/zinc/81/33/69/987813369.db2.gz OUPMNXYTBCOMFW-CRWXNKLISA-N 2 0 239.407 1.637 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[NH+]3CCC2CC3)[C@H](C)O1 ZINC001474736044 987813433 /nfs/dbraw/zinc/81/34/33/987813433.db2.gz YQMKWEJSKAODTP-XWUBHJNHSA-N 2 0 238.375 1.484 20 0 BDADRP CCC(CC)[NH2+]CCC[NH2+]CCCC[NH3+] ZINC001246457122 987814364 /nfs/dbraw/zinc/81/43/64/987814364.db2.gz NIXTWJVZLWADFV-UHFFFAOYSA-N 3 0 215.385 1.483 20 0 BDADRP CC[C@@]1(CN[C@@H]2CCC[NH2+]CC2)CCC[NH2+]1 ZINC001246457256 987815122 /nfs/dbraw/zinc/81/51/22/987815122.db2.gz RFRGURMJEAMSAJ-OLZOCXBDSA-N 2 0 225.380 1.250 20 0 BDADRP C[NH2+][C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246459350 987815285 /nfs/dbraw/zinc/81/52/85/987815285.db2.gz FXTBPYYMBAUWPP-AAVRWANBSA-N 3 0 237.391 1.249 20 0 BDADRP CC[NH+]1CCC(C[NH2+]CC[C@@H](O)C2CC2)CC1 ZINC001474746388 987815575 /nfs/dbraw/zinc/81/55/75/987815575.db2.gz TZEHIALQEOIWTE-CQSZACIVSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CNc3ccccc32)CC[NH2+]1 ZINC001246473964 987832697 /nfs/dbraw/zinc/83/26/97/987832697.db2.gz LVNSLLKIEGINQL-UPJWGTAASA-N 2 0 245.370 1.926 20 0 BDADRP [NH3+][C@@H]1CCCC[C@@H]1N[C@@H]1CC2CC[NH+](CC2)C1 ZINC001246477760 987833545 /nfs/dbraw/zinc/83/35/45/987833545.db2.gz KPSYZNZPXAMYEL-MCIONIFRSA-N 2 0 237.391 1.330 20 0 BDADRP [NH3+][C@@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001246477349 987833798 /nfs/dbraw/zinc/83/37/98/987833798.db2.gz HWWRSIXVLIEMCR-ZNIXKSQXSA-N 2 0 236.359 1.604 20 0 BDADRP [NH3+][C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCOCC1 ZINC001246479388 987837310 /nfs/dbraw/zinc/83/73/10/987837310.db2.gz UWPWUGFNTOEAJE-TUAOUCFPSA-N 2 0 212.337 1.415 20 0 BDADRP C[NH2+][C@H]1C[C@@H]([NH2+][C@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001246493772 987846608 /nfs/dbraw/zinc/84/66/08/987846608.db2.gz FXTBPYYMBAUWPP-FQUUOJAGSA-N 3 0 237.391 1.249 20 0 BDADRP C[NH2+][C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001246493776 987846798 /nfs/dbraw/zinc/84/67/98/987846798.db2.gz FXTBPYYMBAUWPP-MQYQWHSLSA-N 3 0 237.391 1.249 20 0 BDADRP CCCC(C[NH3+])(CCC)N[C@@H]1C[NH2+][C@@H](C)C1 ZINC001246497242 987850086 /nfs/dbraw/zinc/85/00/86/987850086.db2.gz QEANXSGPAXNQRM-RYUDHWBXSA-N 2 0 227.396 1.624 20 0 BDADRP CCCC[C@H]1C[C@H](N[C@H]2C[C@@H]([NH2+]C)C2)CC[NH2+]1 ZINC001246498817 987852215 /nfs/dbraw/zinc/85/22/15/987852215.db2.gz YXKLNAGWAAYGQZ-RFQIPJPRSA-N 2 0 239.407 1.637 20 0 BDADRP CC(C)C[C@@H](C[NH3+])N[C@H]1CCCC[NH2+]C1 ZINC001246501725 987855405 /nfs/dbraw/zinc/85/54/05/987855405.db2.gz CHXFLDKGHFBVCU-RYUDHWBXSA-N 2 0 213.369 1.092 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]C2(C3CC[NH2+]CC3)CC2)CN1 ZINC001246501707 987856072 /nfs/dbraw/zinc/85/60/72/987856072.db2.gz CCYAZBQQDHXSKY-DGCLKSJQSA-N 2 0 237.391 1.249 20 0 BDADRP CNc1cccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC001246505532 987858658 /nfs/dbraw/zinc/85/86/58/987858658.db2.gz LLSKGSXJPZIEHS-SMDDNHRTSA-N 2 0 233.359 1.958 20 0 BDADRP CC(C)N([C@H]1CC[NH2+][C@@H](C)C1)C(C)(C)C[NH3+] ZINC001246506294 987859411 /nfs/dbraw/zinc/85/94/11/987859411.db2.gz ZODASEZHOGCGHX-RYUDHWBXSA-N 2 0 227.396 1.575 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C2(c3ccc(N)cc3)CC2)CC[NH2+]1 ZINC001246504831 987860135 /nfs/dbraw/zinc/86/01/35/987860135.db2.gz SYYOHELLLZXCJQ-BXUZGUMPSA-N 2 0 245.370 1.988 20 0 BDADRP [NH3+]C[C@@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC001246508728 987861094 /nfs/dbraw/zinc/86/10/94/987861094.db2.gz YASBLETZDUOIKA-LXTVHRRPSA-N 2 0 245.370 1.559 20 0 BDADRP C[N@@H+]1CCC[C@@H](N[C@H](C[NH3+])c2ccccc2)CC1 ZINC001246508730 987862878 /nfs/dbraw/zinc/86/28/78/987862878.db2.gz YLVKQEVWCVXEAN-HUUCEWRRSA-N 2 0 247.386 1.760 20 0 BDADRP NC[C@@H]([NH2+][C@H]1CCC2(C[NH2+]C2)C1)c1ccccc1 ZINC001246507455 987863637 /nfs/dbraw/zinc/86/36/37/987863637.db2.gz PMXWEEZFPXYGLU-UONOGXRCSA-N 2 0 245.370 1.418 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](NC2CC[NH2+]CC2)[C@@H](C)C1 ZINC001246516456 987866043 /nfs/dbraw/zinc/86/60/43/987866043.db2.gz UCQHFWWUUMKUKF-JSGCOSHPSA-N 2 0 239.407 1.447 20 0 BDADRP C[C@@H]1CCC[C@@H](C)[NH+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246520717 987869267 /nfs/dbraw/zinc/86/92/67/987869267.db2.gz VMECDXCLVXAEFX-JHJVBQTASA-N 2 0 237.391 1.343 20 0 BDADRP CC[NH+](CC)CCN(C)[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246519569 987869756 /nfs/dbraw/zinc/86/97/56/987869756.db2.gz CFXGITMYMIWLER-STQMWFEESA-N 2 0 227.396 1.401 20 0 BDADRP C[NH2+]CCN(C)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246521636 987870127 /nfs/dbraw/zinc/87/01/27/987870127.db2.gz DBDDNKAEMFFWOH-NWDGAFQWSA-N 2 0 227.396 1.304 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)[C@@H]1CCCO1 ZINC001246522578 987871481 /nfs/dbraw/zinc/87/14/81/987871481.db2.gz DEOYSYIDAHYXJM-YFKTTZPYSA-N 2 0 212.337 1.284 20 0 BDADRP C[NH2+]C1CN([C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC001246526872 987878033 /nfs/dbraw/zinc/87/80/33/987878033.db2.gz KAFFSYRFPRBCCZ-HUUCEWRRSA-N 2 0 245.370 1.383 20 0 BDADRP N[C@@H]1C[N@@H+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)CC12CC2 ZINC001246535040 987894632 /nfs/dbraw/zinc/89/46/32/987894632.db2.gz UZGZGYUIIVYCBU-MGPQQGTHSA-N 2 0 249.402 1.332 20 0 BDADRP N[C@@H]1C[N@@H+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)CC12CC2 ZINC001246535039 987895646 /nfs/dbraw/zinc/89/56/46/987895646.db2.gz UZGZGYUIIVYCBU-MCIONIFRSA-N 2 0 249.402 1.332 20 0 BDADRP [NH3+]CC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC001246538679 987898916 /nfs/dbraw/zinc/89/89/16/987898916.db2.gz PCVHEOCRTYJIIE-BTTYYORXSA-N 3 0 237.391 1.330 20 0 BDADRP [NH3+][C@H]1CCCN([C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC001246539964 987906074 /nfs/dbraw/zinc/90/60/74/987906074.db2.gz JEJPJSNORWVFOW-FQUUOJAGSA-N 2 0 237.391 1.473 20 0 BDADRP CC1(C)C[C@@H](N2CCC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246540115 987906272 /nfs/dbraw/zinc/90/62/72/987906272.db2.gz FOFMFTPCMRAPPR-RYUDHWBXSA-N 2 0 225.380 1.330 20 0 BDADRP CCCC[C@@H]1C[C@@H](N2CC[C@@H]([NH3+])[C@H]2C)CC[NH2+]1 ZINC001246541399 987911585 /nfs/dbraw/zinc/91/15/85/987911585.db2.gz HJIRELMTUONQFK-YIYPIFLZSA-N 2 0 239.407 1.719 20 0 BDADRP C[NH2+]C1CCC([N@@H+]2[C@@H](C)CC[C@H]2CN)CC1 ZINC001246541601 987914048 /nfs/dbraw/zinc/91/40/48/987914048.db2.gz ZCXUDXIXZWVWGE-WTIISPKJSA-N 2 0 225.380 1.329 20 0 BDADRP CCCC[C@@H](C)[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246544206 987920952 /nfs/dbraw/zinc/92/09/52/987920952.db2.gz PMPFLUVEYDFWBS-CHWSQXEVSA-N 2 0 228.380 1.741 20 0 BDADRP C[N@@H+]1CCC[C@H](N2CCC[C@](C)([NH3+])CC2)CC1 ZINC001246546835 987924698 /nfs/dbraw/zinc/92/46/98/987924698.db2.gz ATXGFRVJFFJRQU-KBPBESRZSA-N 2 0 239.407 1.674 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H]([NH3+])CC2)CCO1 ZINC001246548389 987934617 /nfs/dbraw/zinc/93/46/17/987934617.db2.gz TVLOEZJUKZTTEZ-IJLUTSLNSA-N 2 0 212.337 1.367 20 0 BDADRP C[C@]1([NH3+])CCCN([C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246547939 987936800 /nfs/dbraw/zinc/93/68/00/987936800.db2.gz DKHKXOGJPVOBOT-CRWXNKLISA-N 2 0 237.391 1.473 20 0 BDADRP CC[NH+]1CCC(N2CCC[C@H]([NH3+])CC2)CC1 ZINC001246550723 987945914 /nfs/dbraw/zinc/94/59/14/987945914.db2.gz YGASVRDKWYVRRR-LBPRGKRZSA-N 3 0 225.380 1.284 20 0 BDADRP [NH3+]CC1CC[NH+]([C@H]2CC3CCN(CC3)C2)CC1 ZINC001246552621 987953415 /nfs/dbraw/zinc/95/34/15/987953415.db2.gz VIRPEHPFLKHQFE-AWEZNQCLSA-N 2 0 237.391 1.141 20 0 BDADRP C[C@@H]1CC[C@H](N2CC[C@H](C)[C@H](C[NH3+])C2)C[NH2+]1 ZINC001246552469 987954976 /nfs/dbraw/zinc/95/49/76/987954976.db2.gz PGEUTPKJSCVWIW-LOWDOPEQSA-N 2 0 225.380 1.044 20 0 BDADRP [NH3+]C[C@]1(F)CCC[N@@H+]([C@@H]2CCCOC2)CC1 ZINC001246553554 987960771 /nfs/dbraw/zinc/96/07/71/987960771.db2.gz ZEXXAMVPMMSAAX-NEPJUHHUSA-N 2 0 230.327 1.318 20 0 BDADRP CCC[C@H](CC)[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246556737 987965500 /nfs/dbraw/zinc/96/55/00/987965500.db2.gz FYRPZBBGMFTWRX-QWHCGFSZSA-N 2 0 228.380 1.741 20 0 BDADRP C[C@]1([NH3+])CCC[N@@H+]([C@@H]2CCC3(C[NH2+]C3)C2)CC1 ZINC001246556000 987966959 /nfs/dbraw/zinc/96/69/59/987966959.db2.gz YDRMPDZHZMXFQI-OLZOCXBDSA-N 3 0 237.391 1.332 20 0 BDADRP C[C@H]1C[C@H]([N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)CCO1 ZINC001246555361 987970749 /nfs/dbraw/zinc/97/07/49/987970749.db2.gz DUEHSHMGSRWCKP-XJFOESAGSA-N 2 0 240.391 1.861 20 0 BDADRP C[C@H]1C[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)C[C@@H](C)C1 ZINC001246559180 987984005 /nfs/dbraw/zinc/98/40/05/987984005.db2.gz NVHXUQKIIYOEFB-KSSYENDESA-N 2 0 226.364 1.205 20 0 BDADRP CCN1CC[C@H]([N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)C1 ZINC001246560102 987984413 /nfs/dbraw/zinc/98/44/13/987984413.db2.gz PONYWERFHWPMQD-MCIONIFRSA-N 2 0 239.407 1.387 20 0 BDADRP CC[C@H](Cc1ccccc1)[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246559318 987985185 /nfs/dbraw/zinc/98/51/85/987985185.db2.gz OLOFHTLTNFNSPE-RBSFLKMASA-N 2 0 248.370 1.402 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N2CCCC[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246560804 987993293 /nfs/dbraw/zinc/99/32/93/987993293.db2.gz UAWDZVGJYHNNQG-IHRRRGAJSA-N 2 0 239.407 1.576 20 0 BDADRP Cc1csc(CCC[NH2+][C@H]2CCC[C@@H]2[NH3+])n1 ZINC001118058575 987997551 /nfs/dbraw/zinc/99/75/51/987997551.db2.gz LBHOLPKSIKQIRM-QWRGUYRKSA-N 2 0 239.388 1.854 20 0 BDADRP C[NH2+]CC[C@H](C)[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246562092 987999361 /nfs/dbraw/zinc/99/93/61/987999361.db2.gz VSTJBYJDNWPFCD-RYUDHWBXSA-N 3 0 231.359 1.137 20 0 BDADRP Cc1csc(CCC[NH2+][C@H]2CCC[C@H]2[NH3+])n1 ZINC001118058574 987999942 /nfs/dbraw/zinc/99/99/42/987999942.db2.gz LBHOLPKSIKQIRM-MNOVXSKESA-N 2 0 239.388 1.854 20 0 BDADRP C[C@@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@]1(C)O ZINC001246563507 988001593 /nfs/dbraw/zinc/00/15/93/988001593.db2.gz KDZALIZDBDKMON-YIPFDTCYSA-N 2 0 238.375 1.362 20 0 BDADRP C[C@@H]1C[N@@H+]([C@H]2CCCOC2)CCC[C@@H]1C[NH3+] ZINC001246563057 988004800 /nfs/dbraw/zinc/00/48/00/988004800.db2.gz CAPJDRAFAIYQAM-UPJWGTAASA-N 2 0 226.364 1.472 20 0 BDADRP C[C@@H]1C[N@@H+](C2C[C@@H]3C=C[C@H](C2)[NH2+]3)CCC[C@@H]1C[NH3+] ZINC001246562444 988005350 /nfs/dbraw/zinc/00/53/50/988005350.db2.gz MWQYSBXKPAQZQO-ARJVPZMDSA-N 3 0 249.402 1.352 20 0 BDADRP CC[C@H]1C[C@@H](N2CC[C@@H](C)[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246563495 988007445 /nfs/dbraw/zinc/00/74/45/988007445.db2.gz RHPJCLIALZZSHY-MROQNXINSA-N 2 0 225.380 1.186 20 0 BDADRP C[C@@H]1C[C@@H](N2CCC(F)(F)[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC001246562209 988010256 /nfs/dbraw/zinc/01/02/56/988010256.db2.gz YJFIFTNROVUDTA-VWYCJHECSA-N 2 0 247.333 1.043 20 0 BDADRP C[C@@H]1C[C@H]([N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)CC[NH2+]1 ZINC001246563932 988014935 /nfs/dbraw/zinc/01/49/35/988014935.db2.gz YHIVVAFXSXOVBQ-RFQIPJPRSA-N 3 0 239.407 1.434 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)CC[NH2+]1 ZINC001246563921 988015762 /nfs/dbraw/zinc/01/57/62/988015762.db2.gz YHIVVAFXSXOVBQ-MQYQWHSLSA-N 3 0 239.407 1.434 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCC[C@H](OC)C1 ZINC001118121684 988018907 /nfs/dbraw/zinc/01/89/07/988018907.db2.gz HFQMSFZTGZKPPH-SRVKXCTJSA-N 2 0 214.353 1.389 20 0 BDADRP CC[N@@H+]1CCC[C@H](CN[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC001118118009 988020725 /nfs/dbraw/zinc/02/07/25/988020725.db2.gz CEFBWRLHYBZDGH-HZSPNIEDSA-N 3 0 239.407 1.435 20 0 BDADRP C[C@@H]1CC[C@H](N2CCC[C@@H](C[NH3+])[C@@H]2C)C[NH2+]1 ZINC001246568093 988023457 /nfs/dbraw/zinc/02/34/57/988023457.db2.gz YLCVAJGRTMEGPT-VOAKCMCISA-N 2 0 225.380 1.186 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001246566763 988024249 /nfs/dbraw/zinc/02/42/49/988024249.db2.gz IXGSPMRRVMWVDP-MCIONIFRSA-N 2 0 241.423 1.776 20 0 BDADRP CC[N@@H+]1CC[C@H](N2C[C@H](C)CC[C@@H]2C[NH3+])C1 ZINC001246566750 988029365 /nfs/dbraw/zinc/02/93/65/988029365.db2.gz IMMKSQYGPWZRGX-UPJWGTAASA-N 2 0 225.380 1.140 20 0 BDADRP C[C@@H]1C[N@@H+](C2CCN(C)CC2)CCC[C@@H]1C[NH3+] ZINC001246569682 988054453 /nfs/dbraw/zinc/05/44/53/988054453.db2.gz RVCLFHKNEKGQDS-CHWSQXEVSA-N 2 0 239.407 1.387 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](O)[C@H](C)C2)CC[NH2+]1 ZINC001246571267 988061331 /nfs/dbraw/zinc/06/13/31/988061331.db2.gz ASHPNBXEESDEFI-FDYHWXHSSA-N 2 0 226.364 1.220 20 0 BDADRP C[C@]1(C[NH3+])CCCN([C@@H]2CCC[NH2+]C2)CC1 ZINC001246574049 988073386 /nfs/dbraw/zinc/07/33/86/988073386.db2.gz IBHNRBOYZOBWCD-OLZOCXBDSA-N 2 0 225.380 1.189 20 0 BDADRP CN1CCC[C@H]([N@@H+]2CCC[C@](C)(C[NH3+])CC2)C1 ZINC001246576640 988077768 /nfs/dbraw/zinc/07/77/68/988077768.db2.gz MDNKOGGKLONKPD-KBPBESRZSA-N 2 0 239.407 1.532 20 0 BDADRP O[C@H]1CCCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246574832 988077907 /nfs/dbraw/zinc/07/79/07/988077907.db2.gz LCOFCLGNVKERDW-HNGCFSAESA-N 2 0 224.348 1.116 20 0 BDADRP C[C@H]1C[C@@H]([N@@H+]2CCC[C@](C)(C[NH3+])CC2)CC[NH2+]1 ZINC001246579272 988098408 /nfs/dbraw/zinc/09/84/08/988098408.db2.gz UAQNBBQHRXTQQA-IHRRRGAJSA-N 3 0 239.407 1.578 20 0 BDADRP COC(=O)CC[C@@H](C)[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246581978 988107663 /nfs/dbraw/zinc/10/76/63/988107663.db2.gz LTLJAXORMFMKDI-VXGBXAGGSA-N 2 0 242.363 1.389 20 0 BDADRP CC(C)CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246581224 988109468 /nfs/dbraw/zinc/10/94/68/988109468.db2.gz ROHJQCLRVVRJRT-RWMBFGLXSA-N 2 0 228.380 1.453 20 0 BDADRP C[NH2+]CC[C@@H](C)N1CCCC[C@@](C)(C[NH3+])C1 ZINC001246581810 988113916 /nfs/dbraw/zinc/11/39/16/988113916.db2.gz AWYDUGSFPZHHNA-OLZOCXBDSA-N 2 0 227.396 1.435 20 0 BDADRP C[C@@H]1CC[C@@H]([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)C[C@H]1C ZINC001246583837 988127089 /nfs/dbraw/zinc/12/70/89/988127089.db2.gz LBKOUFCQXWAAIJ-LBELIVKGSA-N 2 0 226.364 1.063 20 0 BDADRP CCC1CCC([N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246587606 988141585 /nfs/dbraw/zinc/14/15/85/988141585.db2.gz VDURRWJFGYBKBL-PYNQCMFNSA-N 2 0 226.364 1.207 20 0 BDADRP C[C@H]1C[C@@H]([N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CC(C)(C)C1 ZINC001246586561 988142047 /nfs/dbraw/zinc/14/20/47/988142047.db2.gz RGSBJDUSWQZTGG-WUHRBBMRSA-N 2 0 240.391 1.453 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@](F)(CO)CC2)CC[NH2+]1 ZINC001246587712 988142467 /nfs/dbraw/zinc/14/24/67/988142467.db2.gz IMNLFICENMEXTP-UPJWGTAASA-N 2 0 244.354 1.313 20 0 BDADRP C[C@@H]1C[C@H](N2CCCC[C@@](C)(C[NH3+])C2)C[NH2+]1 ZINC001246586287 988144287 /nfs/dbraw/zinc/14/42/87/988144287.db2.gz SSLMKKIRPXRVQY-AGIUHOORSA-N 2 0 225.380 1.188 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC(C)(C[NH3+])C1)C2 ZINC001246589926 988168269 /nfs/dbraw/zinc/16/82/69/988168269.db2.gz PTJKOPUOKQIXLI-ITGUQSILSA-N 2 0 237.391 1.282 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](C)[C@](C)(O)C2)CC[NH2+]1 ZINC001246593022 988178460 /nfs/dbraw/zinc/17/84/60/988178460.db2.gz RJPDQIQJFHSFCG-FVCCEPFGSA-N 2 0 226.364 1.220 20 0 BDADRP [NH3+]C[C@@H]1CCCCN([C@@H]2CCCC[NH2+]C2)C1 ZINC001246595197 988190402 /nfs/dbraw/zinc/19/04/02/988190402.db2.gz SCFGWJYYUHBULC-QWHCGFSZSA-N 2 0 225.380 1.189 20 0 BDADRP C[C@@H]1CC[C@H]([N@@H+]2CCNC3(CC[NH2+]CC3)C2)C1 ZINC001246598338 988199497 /nfs/dbraw/zinc/19/94/97/988199497.db2.gz AIVHUCKXLITPKH-OLZOCXBDSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@]23CCC[NH2+]C3)CCO1 ZINC001246609690 988230592 /nfs/dbraw/zinc/23/05/92/988230592.db2.gz MSMAHNJHACJBHL-HZSPNIEDSA-N 2 0 238.375 1.772 20 0 BDADRP C1CN([C@@H]2CCC[NH2+]CC2)[C@]2(C1)CCC[NH2+]C2 ZINC001246611995 988240568 /nfs/dbraw/zinc/24/05/68/988240568.db2.gz VZOKPAVPCYNXPP-KGLIPLIRSA-N 2 0 237.391 1.347 20 0 BDADRP C[NH2+]CC[C@H](C)N1CCC[C@]2(CCC[NH2+]2)C1 ZINC001246622558 988272355 /nfs/dbraw/zinc/27/23/55/988272355.db2.gz RGLWKYWFGZYETD-QWHCGFSZSA-N 2 0 225.380 1.202 20 0 BDADRP C[C@@H]1CC[C@@H](N2CCC[C@@]3(CC[NH2+]C3)C2)C[NH2+]1 ZINC001246628503 988300020 /nfs/dbraw/zinc/30/00/20/988300020.db2.gz LYCMIIKHPVWHBB-MCIONIFRSA-N 2 0 237.391 1.202 20 0 BDADRP [NH3+]CC1(F)CC[NH+]([C@H]2CCCSC2)CC1 ZINC001246630734 988302353 /nfs/dbraw/zinc/30/23/53/988302353.db2.gz VAKSUCMMYBJROH-JTQLQIEISA-N 2 0 232.368 1.645 20 0 BDADRP C[C@@H]1CC[C@H]([NH+]2CCC(F)(C[NH3+])CC2)C1 ZINC001246631299 988306244 /nfs/dbraw/zinc/30/62/44/988306244.db2.gz WBDWVOUXRYBMHG-MNOVXSKESA-N 2 0 214.328 1.938 20 0 BDADRP C[C@H]1CC[C@@H]([NH+]2CCC(F)(C[NH3+])CC2)C1 ZINC001246631301 988311277 /nfs/dbraw/zinc/31/12/77/988311277.db2.gz WBDWVOUXRYBMHG-WDEREUQCSA-N 2 0 214.328 1.938 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246634560 988317863 /nfs/dbraw/zinc/31/78/63/988317863.db2.gz OMOCPIJYFNHPQB-HZSPNIEDSA-N 2 0 239.407 1.543 20 0 BDADRP OCC[C@H]1CC12CCN([C@H]1CCC[NH2+]C1)CC2 ZINC001246632153 988318320 /nfs/dbraw/zinc/31/83/20/988318320.db2.gz ZJXYWUJELIKJSQ-STQMWFEESA-N 2 0 238.375 1.223 20 0 BDADRP O=C1C[C@@H]2CC(N3CC[C@@H]4[NH2+]CC[C@H]43)C[C@H]2C1 ZINC001246633192 988322105 /nfs/dbraw/zinc/32/21/05/988322105.db2.gz JZEZHNABPFZTOE-TXFQPVFDSA-N 2 0 234.343 1.180 20 0 BDADRP C[C@@H]1C[C@@H](N2CCCCC23C[NH2+]C3)C[C@H](C)[NH2+]1 ZINC001246640059 988339708 /nfs/dbraw/zinc/33/97/08/988339708.db2.gz AWTQQRUITFBEHQ-CLLJXQQHSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@H]1CC(N2CCCCC23C[NH2+]C3)C[C@H](C)[NH2+]1 ZINC001246640062 988341656 /nfs/dbraw/zinc/34/16/56/988341656.db2.gz AWTQQRUITFBEHQ-RYUDHWBXSA-N 2 0 237.391 1.343 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[C@H]3[NH2+]CC[C@H]31)C2 ZINC001246640372 988342736 /nfs/dbraw/zinc/34/27/36/988342736.db2.gz TXSNCEUPALNLGU-XVIXHAIJSA-N 2 0 235.375 1.048 20 0 BDADRP C1C[C@@H]2[C@@H](CC[N@@H+]2C2C[C@H]3CC[C@@H](C2)O3)[NH2+]1 ZINC001246641858 988352159 /nfs/dbraw/zinc/35/21/59/988352159.db2.gz YOVCHTREFHMLEA-ZLOUSURVSA-N 2 0 222.332 1.133 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@]3(CCOC3)C2)CC[NH2+]1 ZINC001246645506 988366243 /nfs/dbraw/zinc/36/62/43/988366243.db2.gz BSJWYXHYNVWVKC-MCIONIFRSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@@H]1C[C@H](N2CCCC[C@@]23CCC[NH2+]C3)C[NH2+]1 ZINC001246649808 988370328 /nfs/dbraw/zinc/37/03/28/988370328.db2.gz FGRJKYZWODAPBZ-RDBSUJKOSA-N 2 0 237.391 1.345 20 0 BDADRP C[C@H]1C[C@H]([N@@H+]2CC[C@@H]3CCO[C@H]3C2)CC[NH2+]1 ZINC001246667837 988409978 /nfs/dbraw/zinc/40/99/78/988409978.db2.gz VXSNNRSPFFIRAA-LOWDOPEQSA-N 2 0 224.348 1.238 20 0 BDADRP CC[C@@H]1C[C@@H]([N@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246667174 988411657 /nfs/dbraw/zinc/41/16/57/988411657.db2.gz YBSKBUWEFQOCLM-COEJNUGVSA-N 3 0 237.391 1.185 20 0 BDADRP C[C@H]1CC[C@H](N(C)CC2CC[NH2+]CC2)C[NH2+]1 ZINC001246679780 988428569 /nfs/dbraw/zinc/42/85/69/988428569.db2.gz XTCWBWNPDYXGQW-AAEUAGOBSA-N 2 0 225.380 1.058 20 0 BDADRP CC(C)[C@@H]1C[NH2+]CCN1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246695093 988440452 /nfs/dbraw/zinc/44/04/52/988440452.db2.gz LSENCNAWXZCWIL-UPJWGTAASA-N 2 0 225.380 1.057 20 0 BDADRP CCCC[N@H+](CCC)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246776703 988452593 /nfs/dbraw/zinc/45/25/93/988452593.db2.gz LPJBHGXATZNCAL-ZDUSSCGKSA-N 2 0 239.407 1.593 20 0 BDADRP CC[NH2+]C[C@H](C)NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001498108683 988458154 /nfs/dbraw/zinc/45/81/54/988458154.db2.gz JHSDMVYAFMGJFY-NWDGAFQWSA-N 2 0 243.395 1.221 20 0 BDADRP C[NH2+]CC1CCN([C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246781040 988461693 /nfs/dbraw/zinc/46/16/93/988461693.db2.gz MVRXRXMXPVZYHK-AAEUAGOBSA-N 2 0 225.380 1.058 20 0 BDADRP CCN(CC[NH+](CC)CC)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246792380 988469306 /nfs/dbraw/zinc/46/93/06/988469306.db2.gz VIQGIWCGZFHAPE-KBPBESRZSA-N 2 0 241.423 1.791 20 0 BDADRP C[C@@H]1C[C@H](N(C)CCC2CC[NH2+]CC2)C[NH2+]1 ZINC001246794523 988472045 /nfs/dbraw/zinc/47/20/45/988472045.db2.gz FQFNEQRZXZYNIL-YPMHNXCESA-N 2 0 225.380 1.058 20 0 BDADRP Fc1ccccc1[C@H]1C[NH2+]CCN1[C@@H]1CC[NH2+]C1 ZINC001246793893 988472288 /nfs/dbraw/zinc/47/22/88/988472288.db2.gz CJNUJKQVSKRXGY-BXUZGUMPSA-N 2 0 249.333 1.134 20 0 BDADRP CCN(C1CC[NH2+]CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246796401 988473551 /nfs/dbraw/zinc/47/35/51/988473551.db2.gz LGLYMLAERRHSHE-ONXXMXGDSA-N 2 0 237.391 1.343 20 0 BDADRP c1ccc(C[C@H]2CCC[N@@H+]2C2CC[NH2+]CC2)nc1 ZINC001246802099 988483518 /nfs/dbraw/zinc/48/35/18/988483518.db2.gz JFVTVZAIHPCIFO-OAHLLOKOSA-N 2 0 245.370 1.841 20 0 BDADRP CC[C@H]1C[NH2+]CCN1[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246802608 988484280 /nfs/dbraw/zinc/48/42/80/988484280.db2.gz KJKQQRYOMXTVCS-RFQIPJPRSA-N 2 0 237.391 1.343 20 0 BDADRP C1[NH2+]CC12C[C@@H]([N@@H+]1CCC3(CCCC3)C1)CCN2 ZINC001246809002 988488852 /nfs/dbraw/zinc/48/88/52/988488852.db2.gz WDYWTULAWXZWSK-ZDUSSCGKSA-N 2 0 249.402 1.347 20 0 BDADRP C[C@H]1CC[C@@H]([NH3+])CN1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246822910 988511952 /nfs/dbraw/zinc/51/19/52/988511952.db2.gz MLAUSEAJYUECAQ-KZKMVBDOSA-N 2 0 223.364 1.081 20 0 BDADRP CC(C)C[C@H]1CN([C@H]2CC[C@H](C)[NH2+]C2)CC[NH2+]1 ZINC001246821303 988512380 /nfs/dbraw/zinc/51/23/80/988512380.db2.gz JKKDFUXBYDDAJT-IHRRRGAJSA-N 2 0 239.407 1.447 20 0 BDADRP c1ccc([C@@H]2CN(C3CC[NH2+]CC3)CC[NH2+]2)cc1 ZINC001246825944 988517829 /nfs/dbraw/zinc/51/78/29/988517829.db2.gz JSPBKIYGFKTRMA-HNNXBMFYSA-N 2 0 245.370 1.385 20 0 BDADRP C[C@@H]1CC[C@H](N2CCC[C@H]3C[N@H+](C)C[C@@H]32)C[NH2+]1 ZINC001246830985 988523481 /nfs/dbraw/zinc/52/34/81/988523481.db2.gz JMZQMECMLZZUIJ-RFGFWPKPSA-N 2 0 237.391 1.153 20 0 BDADRP CCCC[C@H](CC(C)C)N(CC[NH3+])CC[NH3+] ZINC001246832086 988526968 /nfs/dbraw/zinc/52/69/68/988526968.db2.gz PYMSFODQMDEZMN-CYBMUJFWSA-N 2 0 229.412 1.811 20 0 BDADRP Cc1ccc(CC[C@H](C)N(CC[NH3+])CC[NH3+])cc1 ZINC001246833076 988527364 /nfs/dbraw/zinc/52/73/64/988527364.db2.gz RJQOQZAQWUSKGI-AWEZNQCLSA-N 2 0 249.402 1.536 20 0 BDADRP CC(C)[C@H]1C[C@@H](N2CCC[C@H]2CC[NH3+])CC[NH2+]1 ZINC001246835047 988532078 /nfs/dbraw/zinc/53/20/78/988532078.db2.gz YGJYQMFQOZOORG-MELADBBJSA-N 2 0 239.407 1.576 20 0 BDADRP CC1(C)C[C@@H](N2CC3(C2)CCCC[NH2+]3)CC[NH2+]1 ZINC001246835008 988532163 /nfs/dbraw/zinc/53/21/63/988532163.db2.gz XEGNHRKOZLAGPQ-LBPRGKRZSA-N 2 0 237.391 1.345 20 0 BDADRP [NH3+]CCN(CC[NH3+])[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001246836010 988534542 /nfs/dbraw/zinc/53/45/42/988534542.db2.gz YEDZVLFKJCZEPO-CABCVRRESA-N 2 0 247.386 1.542 20 0 BDADRP CCC(CC)[N@H+](CC)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246841109 988550262 /nfs/dbraw/zinc/55/02/62/988550262.db2.gz SXPOFKFBPIDVPW-CYBMUJFWSA-N 2 0 239.407 1.591 20 0 BDADRP c1cn(C2CC[NH2+]CC2)c([C@H]2CCC[NH2+]C2)n1 ZINC001246845253 988556626 /nfs/dbraw/zinc/55/66/26/988556626.db2.gz DVLVJBPXZBMMLG-NSHDSACASA-N 2 0 234.347 1.275 20 0 BDADRP CCN([C@H]1CCC[NH2+]C1)[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246854652 988577501 /nfs/dbraw/zinc/57/75/01/988577501.db2.gz QFBOJGFMMCXENY-STQMWFEESA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H]1CC[C@@H](N2CC3(C2)CCC[NH2+]CC3)C[NH2+]1 ZINC001246854672 988582919 /nfs/dbraw/zinc/58/29/19/988582919.db2.gz QOJJWPFURYWBCB-CHWSQXEVSA-N 2 0 237.391 1.202 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N2C[C@H](C)C[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246861446 988597714 /nfs/dbraw/zinc/59/77/14/988597714.db2.gz JQPGXKYUZHJABB-RFGFWPKPSA-N 2 0 239.407 1.432 20 0 BDADRP C[C@H]1CC(N2C[C@H]3CC[C@@H](C2)[NH2+]C3)C[C@H](C)[NH2+]1 ZINC001246868147 988624979 /nfs/dbraw/zinc/62/49/79/988624979.db2.gz QYQOQWNCLHMTCS-CYDGBPFRSA-N 2 0 237.391 1.199 20 0 BDADRP CC[C@@H]1C[C@@H](N2[C@H](C)C[NH2+]C[C@H]2C)CC[NH2+]1 ZINC001246883815 988648665 /nfs/dbraw/zinc/64/86/65/988648665.db2.gz PARMDZAPTKWEIU-LPWJVIDDSA-N 2 0 225.380 1.199 20 0 BDADRP CC[C@@H]1C[C@H](N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC001246883063 988651633 /nfs/dbraw/zinc/65/16/33/988651633.db2.gz UHIYSJURCYKYSJ-YIYPIFLZSA-N 2 0 237.391 1.343 20 0 BDADRP CCCC[C@H]1C[C@@H]([N@H+](C)CCCC[NH3+])CC[NH2+]1 ZINC001246890654 988658397 /nfs/dbraw/zinc/65/83/97/988658397.db2.gz KOJBIFPXMJDURB-KBPBESRZSA-N 3 0 241.423 1.968 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N(C)C[C@@H]1CCC[NH2+]1 ZINC001246890164 988659514 /nfs/dbraw/zinc/65/95/14/988659514.db2.gz UTKAAHZMBHZKKX-KBPBESRZSA-N 2 0 241.423 1.791 20 0 BDADRP CN(C[C@@H]1CCC[NH2+]1)[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246890156 988659582 /nfs/dbraw/zinc/65/95/82/988659582.db2.gz UNMZRIPGXFEITL-NWDGAFQWSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H]1C[C@@H](N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)CC[NH2+]1 ZINC001246890888 988660768 /nfs/dbraw/zinc/66/07/68/988660768.db2.gz AOGPSEAJOWDDJY-YIYPIFLZSA-N 2 0 237.391 1.010 20 0 BDADRP CC[C@H]1C[C@@H](N(CC)CC[NH2+]C)CC[NH2+]1 ZINC001246889559 988661623 /nfs/dbraw/zinc/66/16/23/988661623.db2.gz FJJBNPKNRUCOEJ-RYUDHWBXSA-N 2 0 213.369 1.058 20 0 BDADRP C[C@@H]1CC[C@@H](N2CC[C@H]([N@H+](C)C3CC3)C2)C[NH2+]1 ZINC001246905861 988678393 /nfs/dbraw/zinc/67/83/93/988678393.db2.gz AKWUPPDFJQJKKN-BNOWGMLFSA-N 2 0 237.391 1.295 20 0 BDADRP C[NH2+]CC[C@@H](C)N1CCC[C@H]([NH2+]C2CC2)C1 ZINC001246905670 988678868 /nfs/dbraw/zinc/67/88/68/988678868.db2.gz FBULHFSGDCYIMV-YPMHNXCESA-N 2 0 225.380 1.201 20 0 BDADRP C[NH2+]CC[C@H](C)[N@@H+]1CCc2ccc(N)cc2C1 ZINC001246904412 988684696 /nfs/dbraw/zinc/68/46/96/988684696.db2.gz FZSNNFPEBIKFRA-NSHDSACASA-N 2 0 233.359 1.625 20 0 BDADRP C[N@H+](CCO)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246910707 988689499 /nfs/dbraw/zinc/68/94/99/988689499.db2.gz CPIFDXHOOUWNAW-MNOVXSKESA-N 2 0 214.353 1.077 20 0 BDADRP CN([C@@H]1CCCC[NH2+]C1)C1(C)CC[NH2+]CC1 ZINC001246909739 988690021 /nfs/dbraw/zinc/69/00/21/988690021.db2.gz KFBJWEZRPMMUAE-GFCCVEGCSA-N 2 0 225.380 1.202 20 0 BDADRP C[C@@H]1C[C@@H](N2CC[C@H]([N@H+](C)C3CC3)C2)CC[NH2+]1 ZINC001246910127 988690040 /nfs/dbraw/zinc/69/00/40/988690040.db2.gz KNDPNGYDPIATKX-XBFCOCLRSA-N 2 0 237.391 1.295 20 0 BDADRP C[N@H+](CCO)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246912371 988693333 /nfs/dbraw/zinc/69/33/33/988693333.db2.gz KZGZPXVFESOCKI-UHFFFAOYSA-N 2 0 226.364 1.223 20 0 BDADRP CN([C@@H]1CC[NH2+]C(C)(C)C1)[C@@]1(C)CCC[NH2+]C1 ZINC001246915147 988709769 /nfs/dbraw/zinc/70/97/69/988709769.db2.gz VLVKGGWOYDXTJZ-OCCSQVGLSA-N 2 0 239.407 1.591 20 0 BDADRP CC[N@H+](CCn1ccnc1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246917493 988714546 /nfs/dbraw/zinc/71/45/46/988714546.db2.gz DFHBZHXNUOZRIU-OLZOCXBDSA-N 2 0 236.363 1.346 20 0 BDADRP C1CC1[NH2+][C@H]1CCCN([C@@H]2CCC3(C[NH2+]C3)C2)C1 ZINC001246916299 988720761 /nfs/dbraw/zinc/72/07/61/988720761.db2.gz HFPYECRCBXSLCN-UONOGXRCSA-N 2 0 249.402 1.345 20 0 BDADRP C[C@H]1C[C@H]([N@@H+]2C[C@@H]3C[NH2+]C[C@@H]32)C[C@@H](C)C1 ZINC001246923701 988735477 /nfs/dbraw/zinc/73/54/77/988735477.db2.gz YWJLTHPTNRDZIU-OFTGVCEQSA-N 2 0 208.349 1.715 20 0 BDADRP C[C@@H]1CC(N(C)[C@@H]2CCCC[C@@H]2[NH3+])C[C@@H](C)[NH2+]1 ZINC001246922621 988739839 /nfs/dbraw/zinc/73/98/39/988739839.db2.gz VKGXZHAFRWVUTK-MHDGFBEUSA-N 2 0 239.407 1.717 20 0 BDADRP CCCN([C@H](C)CC[NH2+]C)[C@H]1CC[NH2+]C1 ZINC001246929444 988755046 /nfs/dbraw/zinc/75/50/46/988755046.db2.gz OTVNQJXXJFXOER-NEPJUHHUSA-N 2 0 213.369 1.058 20 0 BDADRP C1[NH2+][C@@H]2C[N@@H+](C3CCC4(CC[NH2+]CC4)CC3)C[C@@H]12 ZINC001246924876 988755185 /nfs/dbraw/zinc/75/51/85/988755185.db2.gz NGQAZGBOQDMQQZ-TZMCWYRMSA-N 3 0 249.402 1.202 20 0 BDADRP CO[C@H](C)C1C[NH+]([C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246924281 988755486 /nfs/dbraw/zinc/75/54/86/988755486.db2.gz QZQXNHKXJQVIBX-HOSYDEDBSA-N 2 0 212.337 1.094 20 0 BDADRP C[C@H]1C[C@H]([N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CCO1 ZINC001246929319 988755777 /nfs/dbraw/zinc/75/57/77/988755777.db2.gz DVBKNXOADZPWHR-IGQOVBAYSA-N 2 0 238.375 1.485 20 0 BDADRP CN1CCC[C@@H]([N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)C1 ZINC001246933084 988762144 /nfs/dbraw/zinc/76/21/44/988762144.db2.gz PQBCXNBZCDPNKI-HZSPNIEDSA-N 2 0 237.391 1.012 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCc3c(N)cccc3C2)CC[NH2+]1 ZINC001246936673 988771125 /nfs/dbraw/zinc/77/11/25/988771125.db2.gz XJRZNCUQVJORQF-DGCLKSJQSA-N 2 0 245.370 1.767 20 0 BDADRP CCCN([C@@H]1CC[NH2+]C1)[C@H]1CC[NH2+][C@@H](CC)C1 ZINC001246942045 988775637 /nfs/dbraw/zinc/77/56/37/988775637.db2.gz OAMIIAUZWHNHQL-MELADBBJSA-N 2 0 239.407 1.591 20 0 BDADRP CCCN([C@@H]1CC[NH2+]C1)[C@@H]1CC[NH2+][C@H](CC)C1 ZINC001246942046 988776782 /nfs/dbraw/zinc/77/67/82/988776782.db2.gz OAMIIAUZWHNHQL-MGPQQGTHSA-N 2 0 239.407 1.591 20 0 BDADRP CC(C)N([C@@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC001246954955 988789174 /nfs/dbraw/zinc/78/91/74/988789174.db2.gz OIQNZFXPEWVNAB-BETUJISGSA-N 2 0 225.380 1.201 20 0 BDADRP CC(C)CN([C@H]1C[NH2+][C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC001246954297 988789274 /nfs/dbraw/zinc/78/92/74/988789274.db2.gz YCEOGMMRTAGVJE-BFHYXJOUSA-N 2 0 239.407 1.447 20 0 BDADRP CC[C@H]([NH3+])CN(C)[C@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246972218 988801639 /nfs/dbraw/zinc/80/16/39/988801639.db2.gz BIPSOJZJCDQUMS-AVGNSLFASA-N 2 0 227.396 1.432 20 0 BDADRP CCCN(C[C@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC001246977014 988806057 /nfs/dbraw/zinc/80/60/57/988806057.db2.gz RFTOFTMPCDOYHU-QWHCGFSZSA-N 2 0 225.380 1.060 20 0 BDADRP CC[C@H]([NH3+])CN(C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001246981902 988810548 /nfs/dbraw/zinc/81/05/48/988810548.db2.gz UFZAGCUPZDLLSM-IGQOVBAYSA-N 2 0 239.407 1.671 20 0 BDADRP CC[N@H+]1C[C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]2C1 ZINC001246981482 988812040 /nfs/dbraw/zinc/81/20/40/988812040.db2.gz WYJYSUABUMRQQP-RRIFHVCJSA-N 3 0 249.402 1.153 20 0 BDADRP C[C@@H]1CC(N2CC[NH2+]C3=CCCC[C@@H]32)C[C@@H](C)[NH2+]1 ZINC001246991362 988825818 /nfs/dbraw/zinc/82/58/18/988825818.db2.gz ANGIPIQPWGXBFU-JMSVASOKSA-N 2 0 249.402 1.857 20 0 BDADRP C[C@@H]1CC[C@@H](N2CCC[C@@](C)(C[NH3+])C2)C[NH2+]1 ZINC001247001865 988830825 /nfs/dbraw/zinc/83/08/25/988830825.db2.gz MHMWCKZDADRMFS-UPJWGTAASA-N 2 0 225.380 1.188 20 0 BDADRP [NH3+][C@H]1CCC12CCN(C1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC001247002912 988835762 /nfs/dbraw/zinc/83/57/62/988835762.db2.gz QWQFUNRBMBDTKQ-PIGZVRMJSA-N 2 0 249.402 1.473 20 0 BDADRP COC1(C[NH2+][C@@H]2CCn3ccnc3C2)CCC1 ZINC001119245512 988861524 /nfs/dbraw/zinc/86/15/24/988861524.db2.gz RCSUTFDPTJGJLJ-LLVKDONJSA-N 2 0 235.331 1.357 20 0 BDADRP C[C@H]([NH3+])CC(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC001514533170 988892629 /nfs/dbraw/zinc/89/26/29/988892629.db2.gz WUZFOQQNLYSBMG-VIFPVBQESA-N 2 0 235.331 1.556 20 0 BDADRP C[C@H]1CCCN1CC[NH2+]C1CCC(C[NH3+])CC1 ZINC001325744289 989249165 /nfs/dbraw/zinc/24/91/65/989249165.db2.gz TUZDFIPDIBQZIN-HSBZDZAISA-N 2 0 239.407 1.578 20 0 BDADRP CO[C@@H]1CC[C@@H]([NH2+][C@H]2CC[NH2+]C23CCCC3)C1 ZINC001119629826 989261647 /nfs/dbraw/zinc/26/16/47/989261647.db2.gz BBGSTUHYHOOGGH-UPJWGTAASA-N 2 0 238.375 1.818 20 0 BDADRP C[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC001326038770 989337242 /nfs/dbraw/zinc/33/72/42/989337242.db2.gz MIJHEMCZASFMLZ-WZRBSPASSA-N 2 0 241.379 1.008 20 0 BDADRP C[NH2+][C@@H](C)CCNC(=O)CCCCCC[NH3+] ZINC001326074733 989364460 /nfs/dbraw/zinc/36/44/60/989364460.db2.gz KKBWCMJSQSIVER-NSHDSACASA-N 2 0 229.368 1.010 20 0 BDADRP FCC[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326311252 989480108 /nfs/dbraw/zinc/48/01/08/989480108.db2.gz SRLONWMDLCUXQW-UHFFFAOYSA-N 2 0 200.301 1.422 20 0 BDADRP CC[N@@H+]1CCC[C@@H](CNc2cc[nH+]c(C)c2)C1 ZINC001120007010 989560490 /nfs/dbraw/zinc/56/04/90/989560490.db2.gz FAZMUTIFCHSJFC-ZDUSSCGKSA-N 2 0 233.359 1.956 20 0 BDADRP O[C@@H](C[NH2+]CCCC(F)F)C[NH+]1CCCC1 ZINC001120278360 989627536 /nfs/dbraw/zinc/62/75/36/989627536.db2.gz ZJTCNXGQUFFODH-JTQLQIEISA-N 2 0 236.306 1.078 20 0 BDADRP CC[C@H](O)C[NH2+]CCC[N@H+](C)CC(C)C ZINC001120503596 989685482 /nfs/dbraw/zinc/68/54/82/989685482.db2.gz URCZBYGNCJEFPK-LBPRGKRZSA-N 2 0 216.369 1.325 20 0 BDADRP C[NH2+][C@H](C)CCNC(=O)[C@@H]([NH3+])c1ccccc1C ZINC001326781215 989700144 /nfs/dbraw/zinc/70/01/44/989700144.db2.gz QIXUNSUPBIOAGE-YPMHNXCESA-N 2 0 249.358 1.109 20 0 BDADRP CC(C)C[C@](C)(C[NH3+])C(=O)NCCC[NH+](C)C ZINC001521408102 989699977 /nfs/dbraw/zinc/69/99/77/989699977.db2.gz HDVUCTZNRGTXGF-CYBMUJFWSA-N 2 0 243.395 1.065 20 0 BDADRP C[C@@H](C[NH3+])NC(=O)CCCCC1CC[NH2+]CC1 ZINC001521526726 989728726 /nfs/dbraw/zinc/72/87/26/989728726.db2.gz HCTZGYYXKBLCAU-NSHDSACASA-N 2 0 241.379 1.010 20 0 BDADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N[C@@H](C)CCCC[NH3+] ZINC001521540643 989738341 /nfs/dbraw/zinc/73/83/41/989738341.db2.gz JJGIIIYLTKWJLQ-SRVKXCTJSA-N 2 0 243.395 1.384 20 0 BDADRP CN(CC[C@H]1CCCC[N@@H+]1C)c1cc(N)ncn1 ZINC001120818823 989899560 /nfs/dbraw/zinc/89/95/60/989899560.db2.gz ZYOPUVZWZKFQCV-LLVKDONJSA-N 2 0 249.362 1.369 20 0 BDADRP C[C@H](Nc1cc[nH+]c(N)n1)C(C)(C)C[NH+](C)C ZINC001120818492 989901894 /nfs/dbraw/zinc/90/18/94/989901894.db2.gz VAYQRJZYHYXCFK-VIFPVBQESA-N 2 0 237.351 1.447 20 0 BDADRP CC1CC[NH+](CCNc2nccnc2C[NH3+])CC1 ZINC001120883904 989948248 /nfs/dbraw/zinc/94/82/48/989948248.db2.gz OFAQFJOMJABAQR-UHFFFAOYSA-N 2 0 249.362 1.079 20 0 BDADRP CC[N@H+](CCNC(=O)CC(C)(C)C[NH3+])C(C)C ZINC001121916667 990125901 /nfs/dbraw/zinc/12/59/01/990125901.db2.gz GQOJIRZPTFYZSS-UHFFFAOYSA-N 2 0 243.395 1.208 20 0 BDADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC001121985971 990168676 /nfs/dbraw/zinc/16/86/76/990168676.db2.gz FEFOFXYIDJMSSF-HBNTYKKESA-N 2 0 243.395 1.240 20 0 BDADRP CC[C@H]([NH2+]C)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC001122407816 990377372 /nfs/dbraw/zinc/37/73/72/990377372.db2.gz PADOLCTUFMMBLC-LBPRGKRZSA-N 2 0 249.358 1.817 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)NC(=O)[C@H](C)C[NH2+]C ZINC001122512732 990404093 /nfs/dbraw/zinc/40/40/93/990404093.db2.gz LFGNADGYWDXFTA-VXGBXAGGSA-N 2 0 243.395 1.079 20 0 BDADRP C[C@H](CCNC(=O)[C@@H](C)CC[NH+](C)C)[NH+](C)C ZINC001557441275 990891609 /nfs/dbraw/zinc/89/16/09/990891609.db2.gz JUXLYRTTXVRNPE-NWDGAFQWSA-N 2 0 243.395 1.031 20 0 BDADRP CC(C)=CCC[C@H](C)[NH2+]C[C@H](O)C[NH3+] ZINC001258079931 990977037 /nfs/dbraw/zinc/97/70/37/990977037.db2.gz VXFZTPGNDFOOOW-WDEREUQCSA-N 2 0 200.326 1.031 20 0 BDADRP CSCC[C@@H](C)[NH+]1CCN(CCC[NH3+])CC1 ZINC001258205548 991123329 /nfs/dbraw/zinc/12/33/29/991123329.db2.gz JQBWENMXMWYTLI-GFCCVEGCSA-N 2 0 245.436 1.094 20 0 BDADRP COC1CC(C[NH2+]Cc2ccc3c[nH+]cn3c2)C1 ZINC001308811396 991148405 /nfs/dbraw/zinc/14/84/05/991148405.db2.gz WNZYWNMTYFHLQC-UHFFFAOYSA-N 2 0 245.326 1.849 20 0 BDADRP COC(=O)[C@@H](C[NH3+])C[NH2+][C@H]1CCCC(C)(C)C1 ZINC001258276343 991206208 /nfs/dbraw/zinc/20/62/08/991206208.db2.gz GZJXGBNFRXFILW-QWRGUYRKSA-N 2 0 242.363 1.293 20 0 BDADRP Cc1cccnc1C[NH2+]C[C@H]1C[NH+]2CCC1CC2 ZINC001308965305 991240487 /nfs/dbraw/zinc/24/04/87/991240487.db2.gz DSFXFFHVEDZJBB-AWEZNQCLSA-N 2 0 245.370 1.821 20 0 BDADRP CC[C@H](COC)[NH2+]C[C@H]1C[NH+]2CCC1CC2 ZINC001308966626 991240723 /nfs/dbraw/zinc/24/07/23/991240723.db2.gz WGONLOSLQILBBK-QWHCGFSZSA-N 2 0 226.364 1.343 20 0 BDADRP COC(=O)CC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC001258350892 991283587 /nfs/dbraw/zinc/28/35/87/991283587.db2.gz DYPADLDDYYGYOV-VXGBXAGGSA-N 2 0 242.363 1.260 20 0 BDADRP CCC1(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)COC1 ZINC001202965244 991345113 /nfs/dbraw/zinc/34/51/13/991345113.db2.gz XHYZWMPMERZPPU-TZMCWYRMSA-N 2 0 238.375 1.297 20 0 BDADRP CCCCC[C@H](CC)[NH2+]CCOCC[NH3+] ZINC001258429599 991360897 /nfs/dbraw/zinc/36/08/97/991360897.db2.gz ZQHSZYVMCIRLFU-LBPRGKRZSA-N 2 0 216.369 1.910 20 0 BDADRP C[C@H]1CC[C@@H](C[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)O1 ZINC001560186509 991403589 /nfs/dbraw/zinc/40/35/89/991403589.db2.gz ILOLHMPFQCTRCF-CRWXNKLISA-N 2 0 238.375 1.437 20 0 BDADRP Cc1ccc(C[NH+]2CC3(C2)CC[NH+](C)CC3)cn1 ZINC001139933002 991422756 /nfs/dbraw/zinc/42/27/56/991422756.db2.gz AGWUTESVPINWAH-UHFFFAOYSA-N 2 0 245.370 1.918 20 0 BDADRP Cc1ccc(C[NH+]2CCC3(C[NH+](C)C3)CC2)cn1 ZINC001139933209 991423600 /nfs/dbraw/zinc/42/36/00/991423600.db2.gz OUFUHSDOBHOPLK-UHFFFAOYSA-N 2 0 245.370 1.918 20 0 BDADRP CCOC(=O)CC[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C)C1 ZINC001258477026 991449623 /nfs/dbraw/zinc/44/96/23/991449623.db2.gz YUSJAOQQWVGRAX-VXGBXAGGSA-N 2 0 242.363 1.260 20 0 BDADRP CCOC(=O)CC[C@H](C)[N@H+](CCC[NH3+])C(C)C ZINC001258475556 991451276 /nfs/dbraw/zinc/45/12/76/991451276.db2.gz IRMNQNHWBWSCSS-LBPRGKRZSA-N 2 0 244.379 1.777 20 0 BDADRP Cc1ccc(C[NH2+]CCCC[N@@H+](C)C2CC2)nn1 ZINC001560495682 991488203 /nfs/dbraw/zinc/48/82/03/991488203.db2.gz IIQSMOVBHRJTFK-UHFFFAOYSA-N 2 0 248.374 1.749 20 0 BDADRP C[C@@H](Cc1cccnc1)[N@H+](C)CCC[NH+](C)C ZINC001258622254 991550280 /nfs/dbraw/zinc/55/02/80/991550280.db2.gz JVOZBHRMMSKANN-ZDUSSCGKSA-N 2 0 235.375 1.896 20 0 BDADRP CO[C@H](C)C[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC001560750956 991587443 /nfs/dbraw/zinc/58/74/43/991587443.db2.gz MJGXLYIAFAYWEZ-CHWSQXEVSA-N 2 0 228.380 1.875 20 0 BDADRP CCC[C@H](CO)[NH2+]C1CC[NH+](CCC)CC1 ZINC001258767057 991729150 /nfs/dbraw/zinc/72/91/50/991729150.db2.gz MUNZEZXVRPCHBK-CYBMUJFWSA-N 2 0 228.380 1.611 20 0 BDADRP CCC[NH+]1CCC([N@H+](C)CC2COC2)CC1 ZINC001258775371 991741268 /nfs/dbraw/zinc/74/12/68/991741268.db2.gz MNCKBQIUKCRSRL-UHFFFAOYSA-N 2 0 226.364 1.439 20 0 BDADRP CC[C@H](C)C[C@H](CC)[NH2+]CCN(C)CC[NH3+] ZINC001258783561 991759574 /nfs/dbraw/zinc/75/95/74/991759574.db2.gz FYPBKDSVHOMGCR-STQMWFEESA-N 2 0 229.412 1.681 20 0 BDADRP C[C@H]1CCC[C@H](NC(=[NH2+])SCC[NH3+])C1 ZINC001258808448 991813575 /nfs/dbraw/zinc/81/35/75/991813575.db2.gz QODPZDSQGHHWGW-IUCAKERBSA-N 2 0 215.366 1.781 20 0 BDADRP C[C@@H]1CCC[C@H](NC(=[NH2+])NCCCC[NH3+])C1 ZINC001258809214 991814926 /nfs/dbraw/zinc/81/49/26/991814926.db2.gz WOWYOYPIKIILGF-MNOVXSKESA-N 2 0 226.368 1.418 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]CC1(O)CC1 ZINC001258897001 991889989 /nfs/dbraw/zinc/88/99/89/991889989.db2.gz BSIGMINVZPJRFL-GFCCVEGCSA-N 2 0 228.380 1.611 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC001258907158 991893727 /nfs/dbraw/zinc/89/37/27/991893727.db2.gz OHQREXBALNZZMY-HZSPNIEDSA-N 3 0 241.423 1.966 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]CC(C)=O ZINC001258899192 991894000 /nfs/dbraw/zinc/89/40/00/991894000.db2.gz HONMIFPCQKUIPB-LLVKDONJSA-N 2 0 214.353 1.676 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C[C@H](O)C1CC1 ZINC001258903338 991895094 /nfs/dbraw/zinc/89/50/94/991895094.db2.gz QFURFEZPXZACEN-OCCSQVGLSA-N 2 0 242.407 1.857 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@H](O)C[C@H]1C ZINC001258908640 991899195 /nfs/dbraw/zinc/89/91/95/991899195.db2.gz ZJDZUNCLSQKLAG-BFHYXJOUSA-N 2 0 242.407 1.952 20 0 BDADRP CCC[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001567512039 992053761 /nfs/dbraw/zinc/05/37/61/992053761.db2.gz RXURGROCHZUYQY-LBPRGKRZSA-N 2 0 243.395 1.031 20 0 BDADRP CC[N@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+]C(C)C ZINC001568308923 992159368 /nfs/dbraw/zinc/15/93/68/992159368.db2.gz HYACVEHSWOUJDW-GFCCVEGCSA-N 2 0 243.395 1.173 20 0 BDADRP CC[NH2+][C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C(C)C ZINC001568466760 992170852 /nfs/dbraw/zinc/17/08/52/992170852.db2.gz GMIBYPWKYSHQFU-RYUDHWBXSA-N 2 0 243.395 1.077 20 0 BDADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001261515285 992363477 /nfs/dbraw/zinc/36/34/77/992363477.db2.gz BORFXDWHWWVHNN-MCIONIFRSA-N 2 0 240.391 1.469 20 0 BDADRP CCOC1CC([NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)C1 ZINC001474756857 992519222 /nfs/dbraw/zinc/51/92/22/992519222.db2.gz MYCSBRKICAPAEC-UUFIZFKYSA-N 2 0 238.375 1.484 20 0 BDADRP CC[C@](C)(O)C[NH+]1CCC([C@@H]2C[C@@H]2[NH3+])CC1 ZINC001573673955 992670211 /nfs/dbraw/zinc/67/02/11/992670211.db2.gz QNAFFOHHSWVHGN-AVGNSLFASA-N 2 0 226.364 1.207 20 0 BDADRP CC[C@]1(C)CCC[N@H+](C[C@]2(O)CCC[NH2+]C2)C1 ZINC001573709391 992680301 /nfs/dbraw/zinc/68/03/01/992680301.db2.gz KLTCMYJHPHUISX-KGLIPLIRSA-N 2 0 240.391 1.613 20 0 BDADRP COC1CC(C[NH+]2CCC([C@@H]3C[C@@H]3[NH3+])CC2)C1 ZINC001573954297 992775734 /nfs/dbraw/zinc/77/57/34/992775734.db2.gz MVBDKYQCPCMZLS-FFKWVLBGSA-N 2 0 238.375 1.471 20 0 BDADRP C(C[N@H+](CC1CC1)C1CCC1)N1CC[NH2+]CC1 ZINC001574774401 992898957 /nfs/dbraw/zinc/89/89/57/992898957.db2.gz MPFYNZZJLMGPEZ-UHFFFAOYSA-N 2 0 237.391 1.156 20 0 BDADRP C([NH2+][C@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@H]1CCSC1 ZINC001574774945 992900939 /nfs/dbraw/zinc/90/09/39/992900939.db2.gz QOMZIOQRLFLSRN-ZNSHCXBVSA-N 2 0 212.362 1.222 20 0 BDADRP C1C[C@H]([NH2+][C@H]2CC[C@H]3[NH2+]CCC[C@H]3C2)CO1 ZINC001574799001 992909144 /nfs/dbraw/zinc/90/91/44/992909144.db2.gz BVXKMCGCIZTWOP-ZDEQEGDKSA-N 2 0 224.348 1.286 20 0 BDADRP C1CC2(C1)C[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H]1[NH2+]3)CCO2 ZINC001574795952 992909512 /nfs/dbraw/zinc/90/95/12/992909512.db2.gz QXQFGDJLUMWRFN-FVCCEPFGSA-N 2 0 236.359 1.571 20 0 BDADRP O[C@@H](C[NH2+]CCC[NH+]1CCCCCC1)C1CC1 ZINC001262558150 992910581 /nfs/dbraw/zinc/91/05/81/992910581.db2.gz WQHOIIJUKZUKBI-AWEZNQCLSA-N 2 0 240.391 1.613 20 0 BDADRP C1CC1[NH+]1CCC(N[C@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC001574801863 992915253 /nfs/dbraw/zinc/91/52/53/992915253.db2.gz ZOZVEQGBIAJTIW-XBFCOCLRSA-N 2 0 235.375 1.096 20 0 BDADRP C([NH2+][C@H]1C[C@@H]2CCC[C@@H]21)[C@H]1C[NH2+]CCCO1 ZINC001574801073 992915803 /nfs/dbraw/zinc/91/58/03/992915803.db2.gz NBVIHPHLCCYPEG-RNJOBUHISA-N 2 0 224.348 1.143 20 0 BDADRP CC(C)(C)[C@H](CO)[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC001575108283 992991062 /nfs/dbraw/zinc/99/10/62/992991062.db2.gz OIFRWYLDOMLBNK-AXFHLTTASA-N 2 0 214.353 1.110 20 0 BDADRP CC(C)(C)[NH2+]CCC(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC001575141127 992997555 /nfs/dbraw/zinc/99/75/55/992997555.db2.gz LVDBWWKNVZMRTB-VHSXEESVSA-N 2 0 241.379 1.007 20 0 BDADRP CC(C)[C@@H](C[NH3+])C[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001575428846 993041324 /nfs/dbraw/zinc/04/13/24/993041324.db2.gz NTDOTOLCQMYBBG-QCNOEVLYSA-N 2 0 212.337 1.127 20 0 BDADRP CC(C)[C@H](C[NH3+])C[NH2+][C@@H]1CC[C@H]([S@](C)=O)C1 ZINC001575423078 993041825 /nfs/dbraw/zinc/04/18/25/993041825.db2.gz OROZVAWEIIBOFU-YMEQNVIZSA-N 2 0 246.420 1.107 20 0 BDADRP CC(C)[C@H](O)CC[NH2+][C@@](C)(CN)C(C)C ZINC001575473633 993052682 /nfs/dbraw/zinc/05/26/82/993052682.db2.gz VXZVVSBKMRWQTP-NEPJUHHUSA-N 2 0 216.369 1.356 20 0 BDADRP CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC001575497669 993056823 /nfs/dbraw/zinc/05/68/23/993056823.db2.gz GCGPTAKFVQPYGX-YFKTTZPYSA-N 2 0 212.337 1.269 20 0 BDADRP CC(C)C1(O)CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC001575497324 993056972 /nfs/dbraw/zinc/05/69/72/993056972.db2.gz WSPTZOXDXARBNI-ZDUSSCGKSA-N 2 0 240.391 1.469 20 0 BDADRP CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@]1(O)CC[NH2+]C1 ZINC001575499835 993060771 /nfs/dbraw/zinc/06/07/71/993060771.db2.gz YCUNDKUPIOCRLD-AVGNSLFASA-N 2 0 226.364 1.125 20 0 BDADRP CC(C)C[C@@H](CO)[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001575545114 993068503 /nfs/dbraw/zinc/06/85/03/993068503.db2.gz LANVGGMNEJDYTI-OLZOCXBDSA-N 2 0 228.380 1.325 20 0 BDADRP CC(C)C[C@@H](CO)[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC001575618256 993084767 /nfs/dbraw/zinc/08/47/67/993084767.db2.gz BVECIAUFGMRPDE-AXFHLTTASA-N 2 0 214.353 1.109 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C2CC3(C[C@@H]3[NH3+])C2)C1 ZINC001575696439 993094678 /nfs/dbraw/zinc/09/46/78/993094678.db2.gz ASFMZYXRZJZUDG-AHPWVWPOSA-N 3 0 237.391 1.186 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C2CC3(C[C@H]3[NH3+])C2)C1 ZINC001575696441 993095659 /nfs/dbraw/zinc/09/56/59/993095659.db2.gz ASFMZYXRZJZUDG-RJZJGCCBSA-N 3 0 237.391 1.186 20 0 BDADRP C[NH2+]CCCCC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC001263109540 993121402 /nfs/dbraw/zinc/12/14/02/993121402.db2.gz AHTHYDYKFCQTEB-UHFFFAOYSA-N 2 0 247.342 1.618 20 0 BDADRP CC(C)C[C@@H]([NH3+])CC(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC001263110907 993124014 /nfs/dbraw/zinc/12/40/14/993124014.db2.gz LCPUMMALTQGPFW-GHMZBOCLSA-N 2 0 241.379 1.007 20 0 BDADRP C[C@H](CCO)[NH2+]CC[C@@H]1CCC[NH2+]CC1 ZINC001575968240 993146361 /nfs/dbraw/zinc/14/63/61/993146361.db2.gz VAXFNEASMFHGEW-VXGBXAGGSA-N 2 0 214.353 1.127 20 0 BDADRP C[C@H](COCC1CC1)[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001576041159 993164680 /nfs/dbraw/zinc/16/46/80/993164680.db2.gz NPVTVFNHNSOEEE-ZPTNAJIISA-N 2 0 224.348 1.271 20 0 BDADRP CC[C@@H]([NH3+])C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC001263257195 993192749 /nfs/dbraw/zinc/19/27/49/993192749.db2.gz OIVYEAGJOWYVDR-LLVKDONJSA-N 2 0 235.331 1.556 20 0 BDADRP C[C@@H]([NH3+])C[N@H+](C)CCCCC1(C)OCCO1 ZINC001576149949 993193047 /nfs/dbraw/zinc/19/30/47/993193047.db2.gz PSIKWHMEPXPZGR-LLVKDONJSA-N 2 0 230.352 1.199 20 0 BDADRP C[C@H]([NH2+][C@@H]1[C@@H]2CCC[C@@H]21)[C@H]1CCCC[NH2+]1 ZINC001576239044 993224608 /nfs/dbraw/zinc/22/46/08/993224608.db2.gz KTOYCYIUGQSUKR-YYHQMBLXSA-N 2 0 208.349 1.905 20 0 BDADRP C[C@H]([NH2+][C@@H]1COC2(C[NH2+]C2)C1)[C@@H]1C[C@H]1C1CC1 ZINC001576238765 993226603 /nfs/dbraw/zinc/22/66/03/993226603.db2.gz JALIXFHRKDWICI-BQUFFADESA-N 2 0 236.359 1.142 20 0 BDADRP CC(C)N1CC(N[C@@H]2CCC[N@H+](C)CC2)C1 ZINC000379228581 993232064 /nfs/dbraw/zinc/23/20/64/993232064.db2.gz YCEZQBIENSGRNM-GFCCVEGCSA-N 2 0 225.380 1.153 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CC[C@@H]([NH3+])C1)c1ccnn1C ZINC001576246440 993232413 /nfs/dbraw/zinc/23/24/13/993232413.db2.gz WIWFGKCGNLYWGL-OUAUKWLOSA-N 2 0 222.336 1.198 20 0 BDADRP C[C@@H]([NH2+]CCC(C)(C)[NH3+])[C@H]1COC(C)(C)O1 ZINC001576246211 993233867 /nfs/dbraw/zinc/23/38/67/993233867.db2.gz UUFUUQBPGBJSHD-NXEZZACHSA-N 2 0 230.352 1.243 20 0 BDADRP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@H]1CCCOC1 ZINC001576251105 993235312 /nfs/dbraw/zinc/23/53/12/993235312.db2.gz JXWYRRHPYOPFKK-WJTVCTBASA-N 2 0 224.348 1.284 20 0 BDADRP C[C@](O)(C[NH3+])C[N@@H+]1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1 ZINC001576260358 993237999 /nfs/dbraw/zinc/23/79/99/993237999.db2.gz UUILHKGNCJJZCU-ZUWCUPBKSA-N 2 0 238.375 1.064 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@H]([NH3+])CC1)[C@H]1COC(C)(C)O1 ZINC001576253552 993239048 /nfs/dbraw/zinc/23/90/48/993239048.db2.gz ZVPZRQWUWSMUIG-FIQHERPVSA-N 2 0 242.363 1.386 20 0 BDADRP C[C@H](O)C(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001576263227 993241716 /nfs/dbraw/zinc/24/17/16/993241716.db2.gz GTTNGOBZXUWWMM-WSMDXJOWSA-N 2 0 226.364 1.266 20 0 BDADRP C[C@@H](O)C[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC001576273412 993251863 /nfs/dbraw/zinc/25/18/63/993251863.db2.gz VCQZCABLUQSLFG-UPJWGTAASA-N 2 0 226.364 1.221 20 0 BDADRP Cc1cc(-n2cc(C[NH3+])cn2)cc(C)[nH+]1 ZINC000379797101 993278509 /nfs/dbraw/zinc/27/85/09/993278509.db2.gz KSXJHRIDJKQHMX-UHFFFAOYSA-N 2 0 202.261 1.343 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCOCC1CCC1 ZINC001576380733 993287024 /nfs/dbraw/zinc/28/70/24/993287024.db2.gz XQSKDHXKFODOOA-NEPJUHHUSA-N 2 0 226.364 1.519 20 0 BDADRP CC1(C)CCC[C@H](C[NH2+]C[C@@H]2CCC[NH2+]C2)O1 ZINC001576426509 993299161 /nfs/dbraw/zinc/29/91/61/993299161.db2.gz JQMIMJQQVRPNTR-CHWSQXEVSA-N 2 0 240.391 1.923 20 0 BDADRP CC1(C)OC[C@H](C[NH2+]C[C@H]2CCC[NH2+]CC2)O1 ZINC001576494820 993321404 /nfs/dbraw/zinc/32/14/04/993321404.db2.gz GRQKNLBYOBULER-RYUDHWBXSA-N 2 0 242.363 1.117 20 0 BDADRP CC12CC(C[N@@H+]3CC[C@](C)(C[NH3+])C3)(C1)CO2 ZINC001576503110 993324190 /nfs/dbraw/zinc/32/41/90/993324190.db2.gz LXQHWDJMHRJACN-PNESKVBLSA-N 2 0 224.348 1.226 20 0 BDADRP C[C@@]1(C[NH+]2CCC3(CC[NH2+]3)CC2)CCCCO1 ZINC001576502634 993324789 /nfs/dbraw/zinc/32/47/89/993324789.db2.gz DFYHSGGAWQJCTC-ZDUSSCGKSA-N 2 0 238.375 1.774 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)CC[NH2+]C1 ZINC001576525902 993330381 /nfs/dbraw/zinc/33/03/81/993330381.db2.gz KUBLRPJMDZZVJT-VWYCJHECSA-N 2 0 248.317 1.124 20 0 BDADRP CC[NH+](CC)C[C@H](O)C[NH+]1CCCCCC1 ZINC000380674339 993341238 /nfs/dbraw/zinc/34/12/38/993341238.db2.gz COHSZRWJAWISFV-ZDUSSCGKSA-N 2 0 228.380 1.565 20 0 BDADRP CC1CC(C[N@@H+]2CCC23CC[NH2+]CC3)C1 ZINC001576599511 993362788 /nfs/dbraw/zinc/36/27/88/993362788.db2.gz SFSZVNSYNQZBND-UHFFFAOYSA-N 2 0 208.349 1.860 20 0 BDADRP COC1(C)CC[NH+]([C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000381089650 993368189 /nfs/dbraw/zinc/36/81/89/993368189.db2.gz USXPBUOLJIPYSE-NEPJUHHUSA-N 2 0 226.364 1.628 20 0 BDADRP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC[C@@H](C)C1 ZINC000381243528 993382077 /nfs/dbraw/zinc/38/20/77/993382077.db2.gz MPQBUQRLVBTQPD-CHWSQXEVSA-N 2 0 228.380 1.421 20 0 BDADRP C[C@@H]1CCC[C@@H]([NH2+]C[C@@]2(O)CC[NH2+]C2)CC1 ZINC001576679654 993382180 /nfs/dbraw/zinc/38/21/80/993382180.db2.gz FGCGYBLFBPJJDT-JHJVBQTASA-N 2 0 226.364 1.269 20 0 BDADRP COc1cccc(CN2CCCC[C@H](C[NH3+])C2)n1 ZINC000381345021 993387431 /nfs/dbraw/zinc/38/74/31/993387431.db2.gz LJMVNBHYFPQTJQ-GFCCVEGCSA-N 2 0 249.358 1.651 20 0 BDADRP C(C1CC1)[NH+]1CCC([NH2+][C@@H]2CCSC2)CC1 ZINC000381371879 993388962 /nfs/dbraw/zinc/38/89/62/993388962.db2.gz HSOPDLHVTDVCCV-CYBMUJFWSA-N 2 0 240.416 1.956 20 0 BDADRP C[C@@H]1CCC[C@H](C[NH2+]C[C@@]2(O)CC[NH2+]C2)C1 ZINC001576677927 993390347 /nfs/dbraw/zinc/39/03/47/993390347.db2.gz KBNAUZRZLGVTTI-FRRDWIJNSA-N 2 0 226.364 1.127 20 0 BDADRP C[C@@H](C[NH+]1CCC(C)CC1)NC1CC([NH3+])C1 ZINC001576729786 993408696 /nfs/dbraw/zinc/40/86/96/993408696.db2.gz YRILINVLKGFUIN-HIFPTAJRSA-N 2 0 225.380 1.186 20 0 BDADRP C[C@H]1CC[N@H+](Cc2cc[nH]c(=O)c2)C[C@H]1C[NH3+] ZINC001576734690 993411526 /nfs/dbraw/zinc/41/15/26/993411526.db2.gz IMWREGDFBSVYRY-CMPLNLGQSA-N 2 0 235.331 1.204 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+]CCOC(F)(F)F)CC1 ZINC000381742479 993421122 /nfs/dbraw/zinc/42/11/22/993421122.db2.gz PFGYZBOTQXBJRV-SECBINFHSA-N 2 0 240.269 1.597 20 0 BDADRP C[C@@H]1C[N@H+](CC(=O)OC(C)(C)C)CC[C@@H]1C[NH3+] ZINC001576800830 993426405 /nfs/dbraw/zinc/42/64/05/993426405.db2.gz MXLBUXVZYMAFCQ-GHMZBOCLSA-N 2 0 242.363 1.245 20 0 BDADRP C[C@H]1C[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)[C@@H](C)CN1C ZINC001576806117 993428753 /nfs/dbraw/zinc/42/87/53/993428753.db2.gz BOOMMDSWPMSUFG-ZDEQEGDKSA-N 2 0 225.380 1.138 20 0 BDADRP C[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)CC(C)(C)C1 ZINC001576808006 993432039 /nfs/dbraw/zinc/43/20/39/993432039.db2.gz YFGFRRJINWJLGW-ZDUSSCGKSA-N 2 0 239.407 1.260 20 0 BDADRP C[C@H]1Cc2n[nH]cc2C[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC001576861799 993438991 /nfs/dbraw/zinc/43/89/91/993438991.db2.gz HYAZJZCTQNDBIM-NWDGAFQWSA-N 2 0 248.374 1.404 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@H+](C)CC1CC[NH2+]CC1 ZINC001576903406 993450203 /nfs/dbraw/zinc/45/02/03/993450203.db2.gz JJHNBINOGXHGGE-AAEUAGOBSA-N 2 0 226.364 1.343 20 0 BDADRP [NH3+][C@H]1CCC[C@H](Nc2ccc3c([nH+]2)CCC3)C1 ZINC000382455511 993462842 /nfs/dbraw/zinc/46/28/42/993462842.db2.gz IWIAQTPNMKBZKO-RYUDHWBXSA-N 2 0 231.343 1.674 20 0 BDADRP CC[C@H](C)[C@@](C)(O)C[NH2+]C[C@H]([NH3+])CC(F)F ZINC001576962643 993466596 /nfs/dbraw/zinc/46/65/96/993466596.db2.gz UIRKZQRYMYPEEP-NGZCFLSTSA-N 2 0 238.322 1.356 20 0 BDADRP CC[C@H](C)[C@@H](C)[NH+]1CCC([NH3+])(CO)CC1 ZINC001576960045 993467282 /nfs/dbraw/zinc/46/72/82/993467282.db2.gz ARADCZCKTHZKTN-WDEREUQCSA-N 2 0 214.353 1.207 20 0 BDADRP CC[C@H](C)[C@](C)(O)C[NH2+]C[C@H]([NH3+])CC(F)F ZINC001576962642 993468325 /nfs/dbraw/zinc/46/83/25/993468325.db2.gz UIRKZQRYMYPEEP-IQJOONFLSA-N 2 0 238.322 1.356 20 0 BDADRP CC[C@](C)(O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001576961399 993471274 /nfs/dbraw/zinc/47/12/74/993471274.db2.gz UQGNWKDOWVKMJU-LBPRGKRZSA-N 2 0 226.364 1.223 20 0 BDADRP CC[C@H](C)C[C@H](CO)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC001576969361 993472711 /nfs/dbraw/zinc/47/27/11/993472711.db2.gz BJFUVWAGQMVUBF-RNJOBUHISA-N 2 0 240.391 1.643 20 0 BDADRP CC[C@H](C)[C@H](C[NH2+]C1CC2(C[C@H]2[NH3+])C1)OC ZINC001576970960 993474691 /nfs/dbraw/zinc/47/46/91/993474691.db2.gz MCCVEWXGCZWYFD-PHKUEXBLSA-N 2 0 226.364 1.517 20 0 BDADRP CC[C@@H](CC(F)F)CN1CC[C@H]2C[NH2+]C[C@H]21 ZINC001577044019 993486415 /nfs/dbraw/zinc/48/64/15/993486415.db2.gz NTSIEACKRUJAIA-GARJFASQSA-N 2 0 232.318 1.962 20 0 BDADRP CCC(CC)(C[NH3+])CN[C@H]1CC[N@H+](C)[C@@H]1C ZINC001577052136 993489681 /nfs/dbraw/zinc/48/96/81/993489681.db2.gz JSIVBUDEDLZHRD-NEPJUHHUSA-N 2 0 227.396 1.434 20 0 BDADRP CCC(CC)(C[NH3+])C[NH+]1CC2(C1)CCOC2 ZINC001577051531 993490417 /nfs/dbraw/zinc/49/04/17/993490417.db2.gz TYRYGVZTMDFTIS-UHFFFAOYSA-N 2 0 226.364 1.474 20 0 BDADRP CCC(CC)(C[NH3+])C[NH2+]C[C@H](O)C(F)(F)F ZINC001577051868 993490904 /nfs/dbraw/zinc/49/09/04/993490904.db2.gz CTSGEOHWFHKIED-QMMMGPOBSA-N 2 0 242.285 1.264 20 0 BDADRP CC[C@H]([NH2+]C1CC2(C[C@H]2[NH3+])C1)[C@@H](O)C(C)C ZINC001577175568 993530860 /nfs/dbraw/zinc/53/08/60/993530860.db2.gz BOWMYPKPPDGNKY-HBZWBMEYSA-N 2 0 226.364 1.251 20 0 BDADRP CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)[C@H](O)C(C)C ZINC001577176100 993532246 /nfs/dbraw/zinc/53/22/46/993532246.db2.gz SGZHTQHTBVFABL-JHJVBQTASA-N 2 0 228.380 1.371 20 0 BDADRP CCC(O)(CC)CC[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001577179553 993539172 /nfs/dbraw/zinc/53/91/72/993539172.db2.gz QXUWHHDFMINERK-CXQJBGSLSA-N 2 0 226.364 1.397 20 0 BDADRP CC[C@@]1(C)CCC[C@@H]1[NH2+]CCOCCC[NH3+] ZINC001577205351 993545567 /nfs/dbraw/zinc/54/55/67/993545567.db2.gz NQSPGACPBVFPOA-STQMWFEESA-N 2 0 228.380 1.910 20 0 BDADRP CC[C@]1(O)CCC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC001577233082 993550287 /nfs/dbraw/zinc/55/02/87/993550287.db2.gz DEVDPYKMKUDAJK-AGIUHOORSA-N 2 0 226.364 1.079 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC001577241139 993556296 /nfs/dbraw/zinc/55/62/96/993556296.db2.gz QHKWTWJUQUWEFN-DDHJBXDOSA-N 2 0 212.337 1.142 20 0 BDADRP CC[C@@H]1CCC[C@@H]([NH2+]C[C@@]2(O)CC[NH2+]C2)C1 ZINC001577246887 993559316 /nfs/dbraw/zinc/55/93/16/993559316.db2.gz VKVXHCNFAYLUBW-JHJVBQTASA-N 2 0 226.364 1.269 20 0 BDADRP CC[C@@H]1CC[N@H+](C[C@@]2(O)CCC[NH2+]C2)[C@H]1C ZINC001577262274 993565821 /nfs/dbraw/zinc/56/58/21/993565821.db2.gz FNAVJCSMITZNKL-YNEHKIRRSA-N 2 0 226.364 1.221 20 0 BDADRP CCC[C@@H](C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1)OC ZINC001577357668 993615048 /nfs/dbraw/zinc/61/50/48/993615048.db2.gz DWXPALQVYORITG-AGIUHOORSA-N 2 0 226.364 1.343 20 0 BDADRP CCC[C@@H](O)C[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC001577368921 993622850 /nfs/dbraw/zinc/62/28/50/993622850.db2.gz LTHJJMCRQMQVBL-VXGBXAGGSA-N 2 0 214.353 1.351 20 0 BDADRP CCC[C@@H]1C[NH2+]CCN1C[C@H]1CCC[N@@H+]1C ZINC001577385257 993635137 /nfs/dbraw/zinc/63/51/37/993635137.db2.gz IAEVZKLQOWCBDZ-CHWSQXEVSA-N 2 0 225.380 1.155 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H](C)CC[NH+](C)C ZINC001577390370 993636904 /nfs/dbraw/zinc/63/69/04/993636904.db2.gz LFICJRNYMHZZFS-NWDGAFQWSA-N 2 0 243.395 1.208 20 0 BDADRP CCCC[C@@H]([NH3+])C(=O)N1CC[C@H]([N@H+](C)CC)C1 ZINC001577401009 993644156 /nfs/dbraw/zinc/64/41/56/993644156.db2.gz UCGXZDSPRSZEHD-NWDGAFQWSA-N 2 0 241.379 1.057 20 0 BDADRP CCCC[N@H+](C)CCNC(=O)[C@@](C)(CC)C[NH3+] ZINC001577445567 993661861 /nfs/dbraw/zinc/66/18/61/993661861.db2.gz YSXZGUOAQFPWLA-ZDUSSCGKSA-N 2 0 243.395 1.210 20 0 BDADRP C[NH2+]C1CCC([NH2+][C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000385555989 993662391 /nfs/dbraw/zinc/66/23/91/993662391.db2.gz NZFPOQVUOJUKAN-TUUUFIMRSA-N 3 0 225.380 1.377 20 0 BDADRP CCCN(CC[NH+](CC)CC)C(=O)[C@@H]([NH3+])CC ZINC001577519731 993674557 /nfs/dbraw/zinc/67/45/57/993674557.db2.gz UIKATUBWRHYCGU-LBPRGKRZSA-N 2 0 243.395 1.304 20 0 BDADRP CC[N@H+](C)[C@H]1CCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC001577655153 993703268 /nfs/dbraw/zinc/70/32/68/993703268.db2.gz SXMYMLBZYKJMJG-STQMWFEESA-N 2 0 225.380 1.012 20 0 BDADRP CSCC[C@H](C)[N@@H+]1CCC[C@H]1CN ZINC000388452897 993731960 /nfs/dbraw/zinc/73/19/60/993731960.db2.gz RCOQGGBONMFGDU-UWVGGRQHSA-N 2 0 202.367 1.551 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)[C@H]1CCCOC1 ZINC000389045296 993736591 /nfs/dbraw/zinc/73/65/91/993736591.db2.gz IBBBNCFDRLICSR-XQQFMLRXSA-N 2 0 226.364 1.391 20 0 BDADRP CC1(C)CC[C@@H]([NH2+]CCSCC[NH3+])C1 ZINC000389763020 993763406 /nfs/dbraw/zinc/76/34/06/993763406.db2.gz ZSVXQRXSKHUKOU-SNVBAGLBSA-N 2 0 216.394 1.847 20 0 BDADRP CCC[NH+](CCC)C[C@H](O)C[NH+](CC)CC ZINC000390582342 993794267 /nfs/dbraw/zinc/79/42/67/993794267.db2.gz PSVVBTCGMCBYJY-CYBMUJFWSA-N 2 0 230.396 1.811 20 0 BDADRP C[NH+](C)C1CCC([NH2+]CC2(O)CCC2)CC1 ZINC000390548374 993794522 /nfs/dbraw/zinc/79/45/22/993794522.db2.gz NROMZZVVOSLBRR-UHFFFAOYSA-N 2 0 226.364 1.364 20 0 BDADRP CC[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](CC)CC ZINC000390599913 993799050 /nfs/dbraw/zinc/79/90/50/993799050.db2.gz VQKCXHLYTQBIQH-OLZOCXBDSA-N 2 0 228.380 1.564 20 0 BDADRP C[C@H]1C[C@H](N2CCC([NH+]3CCC3)CC2)CC[NH2+]1 ZINC000700401572 993835460 /nfs/dbraw/zinc/83/54/60/993835460.db2.gz VTLYEPMLFMQSLP-GXTWGEPZSA-N 2 0 237.391 1.297 20 0 BDADRP CC[NH+](CC)CCN[C@H]1CC[N@H+](CC)C1 ZINC000393374575 993941307 /nfs/dbraw/zinc/94/13/07/993941307.db2.gz KNAMVHNDOVGEIV-LBPRGKRZSA-N 2 0 213.369 1.012 20 0 BDADRP Cc1nc(CN2CC[NH+](C(C)(C)C)CC2)c[nH]1 ZINC000724778336 994076493 /nfs/dbraw/zinc/07/64/93/994076493.db2.gz UFLWPFATZFKJAE-UHFFFAOYSA-N 2 0 236.363 1.634 20 0 BDADRP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC001336854546 995110714 /nfs/dbraw/zinc/11/07/14/995110714.db2.gz OCHQTIUDXFXPLB-XHJNMGKDSA-N 2 0 238.375 1.077 20 0 BDADRP Cc1cc(C)n(CCC[NH2+][C@@H](C)CCC[NH3+])n1 ZINC000336685349 177926667 /nfs/dbraw/zinc/92/66/67/177926667.db2.gz FXNNCVMKYRBBOT-NSHDSACASA-N 2 0 238.379 1.607 20 0 BDADRP CC[NH+]1CCC([NH2+]CC(CC)(CC)CO)CC1 ZINC000161537218 349462488 /nfs/dbraw/zinc/46/24/88/349462488.db2.gz QERXTIUQYNEMBI-UHFFFAOYSA-N 2 0 242.407 1.859 20 0 BDADRP C[C@H](O)[C@H](C)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000518519348 398146723 /nfs/dbraw/zinc/14/67/23/398146723.db2.gz RHGYTMJCKQGJMK-UWVGGRQHSA-N 2 0 219.288 1.193 20 0 BDADRP Cc1cc(C[NH+]2CCC(C[NH+](C)C)CC2)on1 ZINC000336717942 177985579 /nfs/dbraw/zinc/98/55/79/177985579.db2.gz WPJMVQCKESLIDA-UHFFFAOYSA-N 2 0 237.347 1.757 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000415012807 398154373 /nfs/dbraw/zinc/15/43/73/398154373.db2.gz XMWLKSSOHSSUQV-RFGFWPKPSA-N 3 0 239.407 1.624 20 0 BDADRP CC[NH2+][C@H](C)CNC1CC[NH+](CC2CC2)CC1 ZINC000560954977 322993581 /nfs/dbraw/zinc/99/35/81/322993581.db2.gz MYHVNORQWLWPHU-GFCCVEGCSA-N 2 0 239.407 1.448 20 0 BDADRP CC[C@H](O)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000379925058 398177169 /nfs/dbraw/zinc/17/71/69/398177169.db2.gz KQKMHIFOHNRPFM-MCIGGMRASA-N 2 0 214.353 1.220 20 0 BDADRP COCC1CCC([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000423174716 398164636 /nfs/dbraw/zinc/16/46/36/398164636.db2.gz COGSEAOSONJHTO-ABXWRUBCSA-N 2 0 240.391 1.922 20 0 BDADRP [NH3+]CCCC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423327029 398166392 /nfs/dbraw/zinc/16/63/92/398166392.db2.gz MRQLZPFVRWXWHU-FRRDWIJNSA-N 2 0 238.375 1.663 20 0 BDADRP Cn1cc(CC[N@H+](C2CC2)C2CC[NH2+]CC2)cn1 ZINC000649409005 398208358 /nfs/dbraw/zinc/20/83/58/398208358.db2.gz VNHBLXUBHVMVFI-UHFFFAOYSA-N 2 0 248.374 1.179 20 0 BDADRP CN1CC[N@H+](C[C@H]2CC[NH2+]C2)Cc2ccccc21 ZINC000649412500 398213837 /nfs/dbraw/zinc/21/38/37/398213837.db2.gz PUEKYSFGXOAUQO-ZDUSSCGKSA-N 2 0 245.370 1.548 20 0 BDADRP CCc1cnc(C[NH2+][C@@H](C)CCC[NH3+])s1 ZINC000336717571 398214126 /nfs/dbraw/zinc/21/41/26/398214126.db2.gz XZVGKDVVXOTCPL-VIFPVBQESA-N 2 0 227.377 1.923 20 0 BDADRP C([C@@H]1CCN(C[C@H]2CC[NH2+]C2)C1)[NH+]1CCCC1 ZINC000649413957 398211837 /nfs/dbraw/zinc/21/18/37/398211837.db2.gz YLXAYLHBAGNGII-KBPBESRZSA-N 2 0 237.391 1.014 20 0 BDADRP Cc1cc(NCC[N@@H+]2CCCOCC2)cc[nH+]1 ZINC000276727844 178161760 /nfs/dbraw/zinc/16/17/60/178161760.db2.gz LADXFZUNEYINAB-UHFFFAOYSA-N 2 0 235.331 1.524 20 0 BDADRP CC[NH+](CC)C[C@@H]1CCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000649413950 398212130 /nfs/dbraw/zinc/21/21/30/398212130.db2.gz XCVFDQJYYYUSME-KGLIPLIRSA-N 2 0 239.407 1.260 20 0 BDADRP Cc1cc(C)n(CC[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)n1 ZINC000386834580 398221018 /nfs/dbraw/zinc/22/10/18/398221018.db2.gz WOUCKRLHLWSFTN-AAEUAGOBSA-N 2 0 236.363 1.169 20 0 BDADRP CCC(CC)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000336712882 168352683 /nfs/dbraw/zinc/35/26/83/168352683.db2.gz RAHMDCOBESIWKX-CQSZACIVSA-N 2 0 239.407 1.402 20 0 BDADRP CC(C)[C@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000020200405 538930796 /nfs/dbraw/zinc/93/07/96/538930796.db2.gz CCSMKLOVXULLGX-ZDUSSCGKSA-N 2 0 241.423 1.647 20 0 BDADRP C[C@@H](NC(=O)CC1(C[NH3+])CCCCC1)[C@H](C)[NH3+] ZINC000449605251 323000589 /nfs/dbraw/zinc/00/05/89/323000589.db2.gz VQGSAOCBWAMDEX-WDEREUQCSA-N 2 0 241.379 1.138 20 0 BDADRP C[C@H](CNC(=O)C[C@H](C)[NH3+])[N@@H+]1CCCC[C@@H]1C ZINC000430762606 398231034 /nfs/dbraw/zinc/23/10/34/398231034.db2.gz OPKPKMPFNRUYFU-SDDRHHMPSA-N 2 0 241.379 1.103 20 0 BDADRP CC[C@@H](COC)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000165619301 538936203 /nfs/dbraw/zinc/93/62/03/538936203.db2.gz KEMPFTCBNPYIFX-ZDUSSCGKSA-N 2 0 240.391 1.875 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN(C)C[C@@H]1CCC[NH2+]C1 ZINC000092629279 398235905 /nfs/dbraw/zinc/23/59/05/398235905.db2.gz BZFXQSKQESIMKI-ZIAGYGMSSA-N 2 0 239.407 1.402 20 0 BDADRP CCN1CCC[C@@H]1C[N@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000092633672 398235938 /nfs/dbraw/zinc/23/59/38/398235938.db2.gz CHRHIBKRUGNAOR-UONOGXRCSA-N 2 0 239.407 1.402 20 0 BDADRP COCC[C@@H](C)[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000576475714 365605735 /nfs/dbraw/zinc/60/57/35/365605735.db2.gz LBPNVGYGOVTSFM-NEPJUHHUSA-N 2 0 237.347 1.634 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCc1ccc2c(c1)OCO2 ZINC000258932398 349536051 /nfs/dbraw/zinc/53/60/51/349536051.db2.gz JMTVLQXHCVUPTQ-RYUDHWBXSA-N 2 0 248.326 1.427 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+][C@H](CO)Cc1ccccc1 ZINC000089150659 259308255 /nfs/dbraw/zinc/30/82/55/259308255.db2.gz AFJDUXITULVNIY-QLFBSQMISA-N 2 0 248.370 1.307 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)C1 ZINC000381168022 398252510 /nfs/dbraw/zinc/25/25/10/398252510.db2.gz SUMHOQSWQVGLOW-FRRDWIJNSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000576701956 365663349 /nfs/dbraw/zinc/66/33/49/365663349.db2.gz QBMVRXWMDZHMNN-MNOVXSKESA-N 2 0 249.358 1.214 20 0 BDADRP [NH3+]CCCCC(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000576705974 365665440 /nfs/dbraw/zinc/66/54/40/365665440.db2.gz XKKGMCGMHAQPGU-GFCCVEGCSA-N 2 0 247.342 1.032 20 0 BDADRP CC[C@@H](C)[C@@H](C[NH2+]CC1CC[NH+](C)CC1)OC ZINC000381387209 398255257 /nfs/dbraw/zinc/25/52/57/398255257.db2.gz MTZIMSMOBCDGCO-TZMCWYRMSA-N 2 0 242.407 1.979 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](CCn2nc(C)cc2C)C1 ZINC000386764899 398266323 /nfs/dbraw/zinc/26/63/23/398266323.db2.gz JEUCATLMYPWVIC-CYBMUJFWSA-N 2 0 236.363 1.041 20 0 BDADRP C[C@H]([NH2+]C1CCC(CO)CC1)[C@@H]1CCC[NH2+]1 ZINC000400696179 398267305 /nfs/dbraw/zinc/26/73/05/398267305.db2.gz JCMPIHOPPVFZLQ-WTIISPKJSA-N 2 0 226.364 1.268 20 0 BDADRP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000180095024 538957671 /nfs/dbraw/zinc/95/76/71/538957671.db2.gz VJEMVTGJPKFKFR-CMPLNLGQSA-N 2 0 248.374 1.853 20 0 BDADRP C[C@@H]1C[C@@H](NCC[NH+]2CCCC2)CC[N@@H+]1C ZINC000129732054 323009249 /nfs/dbraw/zinc/00/92/49/323009249.db2.gz NWNMNMZTWHLIBD-OLZOCXBDSA-N 2 0 225.380 1.155 20 0 BDADRP COC[C@H](C)C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000580289579 346857692 /nfs/dbraw/zinc/85/76/92/346857692.db2.gz KZKOPZXZEJFRBG-GHMZBOCLSA-N 2 0 200.326 1.001 20 0 BDADRP C[C@@H](CO)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000678044665 488179506 /nfs/dbraw/zinc/17/95/06/488179506.db2.gz RKGFBIOCJDOXAH-OLZOCXBDSA-N 2 0 226.364 1.033 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCCOC1)C1CC[NH+](C)CC1 ZINC000038044624 538964853 /nfs/dbraw/zinc/96/48/53/538964853.db2.gz OUVONYKKENEZOV-QWHCGFSZSA-N 2 0 240.391 1.733 20 0 BDADRP C[NH+](C)C1CCN(C[C@H]2CCC[N@@H+]2C)CC1 ZINC000649486248 398283012 /nfs/dbraw/zinc/28/30/12/398283012.db2.gz CYNZXEFAFXKUTO-CYBMUJFWSA-N 2 0 225.380 1.107 20 0 BDADRP C[C@@H]([NH2+]CCn1cccn1)C1CC[NH+](C)CC1 ZINC000042539352 538978258 /nfs/dbraw/zinc/97/82/58/538978258.db2.gz HUSIVFUDWQWDQR-GFCCVEGCSA-N 2 0 236.363 1.203 20 0 BDADRP C[C@@H]([NH2+]Cc1cnn(C)c1)C1CC[NH+](C)CC1 ZINC000041159073 538974778 /nfs/dbraw/zinc/97/47/78/538974778.db2.gz GFYGSFVVPZDDQZ-LLVKDONJSA-N 2 0 236.363 1.240 20 0 BDADRP C[C@@H](CC[NH2+]C1CSC1)[NH+]1CCCCC1 ZINC000380237539 538987456 /nfs/dbraw/zinc/98/74/56/538987456.db2.gz MSCYDUAXZWJVCS-NSHDSACASA-N 2 0 228.405 1.956 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1NCC1([NH3+])CCCCC1 ZINC000335623800 136240501 /nfs/dbraw/zinc/24/05/01/136240501.db2.gz GBRLQLKFCGWAOV-MNOVXSKESA-N 2 0 211.353 1.117 20 0 BDADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)CCC[NH3+] ZINC000417823829 398294437 /nfs/dbraw/zinc/29/44/37/398294437.db2.gz AOKKBULVYAVRLZ-ZDUSSCGKSA-N 2 0 249.358 1.104 20 0 BDADRP C[N@@H+]1CC[C@H](NC2C[NH2+]C2)C[C@H]1c1ccccc1 ZINC000335626076 136240814 /nfs/dbraw/zinc/24/08/14/136240814.db2.gz XDYWCVFTUKMIKG-ZFWWWQNUSA-N 2 0 245.370 1.383 20 0 BDADRP CC(C)[C@@H]([NH2+]CCOCC[NH+](C)C)C1CC1 ZINC000390292016 539021231 /nfs/dbraw/zinc/02/12/31/539021231.db2.gz ZBPVLEFVXVJFIG-CYBMUJFWSA-N 2 0 228.380 1.589 20 0 BDADRP Cn1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cn1 ZINC000335634079 136241504 /nfs/dbraw/zinc/24/15/04/136241504.db2.gz MBAJEZLMRACDHQ-KGLIPLIRSA-N 2 0 248.374 1.242 20 0 BDADRP CC1(C)CC(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000625100554 342856340 /nfs/dbraw/zinc/85/63/40/342856340.db2.gz UEVCGKKOEAYMLD-RYUDHWBXSA-N 2 0 208.349 1.574 20 0 BDADRP CC(C)([NH3+])C(=O)NCCC[NH+]1CCCCCC1 ZINC000236790190 398316800 /nfs/dbraw/zinc/31/68/00/398316800.db2.gz KLFYPLXXXDYLRF-UHFFFAOYSA-N 2 0 241.379 1.106 20 0 BDADRP CC[NH+]1CCC(NC2CC[NH+](C)CC2)CC1 ZINC000037248541 398312742 /nfs/dbraw/zinc/31/27/42/398312742.db2.gz WGSOVEGQZOONLF-UHFFFAOYSA-N 2 0 225.380 1.155 20 0 BDADRP CCOC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)C(C)C ZINC000233788313 342912354 /nfs/dbraw/zinc/91/23/54/342912354.db2.gz OEBKYAATNJHKDU-UPJWGTAASA-N 2 0 228.380 1.907 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C1 ZINC000584004474 342900387 /nfs/dbraw/zinc/90/03/87/342900387.db2.gz LYVPREKAMZYCSC-IRCOFANPSA-N 2 0 220.316 1.995 20 0 BDADRP CC[C@](C)(O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000336258003 398325577 /nfs/dbraw/zinc/32/55/77/398325577.db2.gz QBGSMDOCVARVQH-UONOGXRCSA-N 2 0 240.391 1.565 20 0 BDADRP C[C@@H]([NH2+]CCCOC(F)F)[C@H]1CCC[NH2+]1 ZINC000400430412 398327055 /nfs/dbraw/zinc/32/70/55/398327055.db2.gz KXGCASCLVCCFLX-RKDXNWHRSA-N 2 0 222.279 1.346 20 0 BDADRP COC(=O)C1(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000602624671 349641985 /nfs/dbraw/zinc/64/19/85/349641985.db2.gz PTXMJVCZYCSZCO-MNOVXSKESA-N 2 0 240.347 1.012 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H]2CCn3ccnc32)CC1 ZINC000379011162 346884188 /nfs/dbraw/zinc/88/41/88/346884188.db2.gz MIKGMORTMRLRHN-ZDUSSCGKSA-N 2 0 248.374 1.649 20 0 BDADRP COCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918021 398335260 /nfs/dbraw/zinc/33/52/60/398335260.db2.gz IINWDMPZYBKYRN-NEPJUHHUSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@H](CCc1ccccc1)[NH2+]CCC[NH3+] ZINC000037713159 342943417 /nfs/dbraw/zinc/94/34/17/342943417.db2.gz KWULJAAJHBSKHZ-GFCCVEGCSA-N 2 0 206.333 1.946 20 0 BDADRP C[C@H]1CCCC[C@H]1C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000335625634 398341991 /nfs/dbraw/zinc/34/19/91/398341991.db2.gz KMXAVQSIGMXCBB-STQMWFEESA-N 2 0 240.391 1.598 20 0 BDADRP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000576814740 365691167 /nfs/dbraw/zinc/69/11/67/365691167.db2.gz UQDJQPVNNFRQLM-FZMZJTMJSA-N 2 0 237.391 1.058 20 0 BDADRP CC(C)CC[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313360714 259333977 /nfs/dbraw/zinc/33/39/77/259333977.db2.gz WPXOSKSIPAIBBH-LLVKDONJSA-N 2 0 200.326 1.082 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](CCO)C1 ZINC000678075732 488191056 /nfs/dbraw/zinc/19/10/56/488191056.db2.gz NYRUHSRJLSKCRM-KBPBESRZSA-N 2 0 240.391 1.565 20 0 BDADRP CC[NH+]1CCC([NH2+]CCCOC(C)C)CC1 ZINC000020197883 342976150 /nfs/dbraw/zinc/97/61/50/342976150.db2.gz QQMVGFHUQZZEFB-UHFFFAOYSA-N 2 0 228.380 1.875 20 0 BDADRP Cc1ccsc1C[NH+]1CCC([NH3+])CC1 ZINC000020521626 342989455 /nfs/dbraw/zinc/98/94/55/342989455.db2.gz QPAFCHITAPDUDC-UHFFFAOYSA-N 2 0 210.346 1.980 20 0 BDADRP COCC1(C[NH2+][C@@H]2C[C@@H](C)[C@H]2C)CC[NH2+]CC1 ZINC000386283102 342995047 /nfs/dbraw/zinc/99/50/47/342995047.db2.gz RKIPRHYLKBZKHC-JHJVBQTASA-N 2 0 240.391 1.637 20 0 BDADRP c1cc2c(cc1C[N@@H+]1CCCOCC1)C[NH2+]CC2 ZINC000211940774 343017441 /nfs/dbraw/zinc/01/74/41/343017441.db2.gz WFBUPZJKUFALGB-UHFFFAOYSA-N 2 0 246.354 1.555 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)C1CCOCC1 ZINC000235534783 343048211 /nfs/dbraw/zinc/04/82/11/343048211.db2.gz GMEWRQMIGWQJDX-UHTWSYAYSA-N 2 0 226.364 1.661 20 0 BDADRP CC[NH+](CC)CCCN1CCCC[C@H]1CC[NH3+] ZINC000075924727 343052086 /nfs/dbraw/zinc/05/20/86/343052086.db2.gz YHYXBJZHOMQRSD-AWEZNQCLSA-N 2 0 241.423 1.922 20 0 BDADRP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)C(C)(C)O ZINC000400716865 529666421 /nfs/dbraw/zinc/66/64/21/529666421.db2.gz NLBIWWXCFJQCPK-MXWKQRLJSA-N 2 0 214.353 1.266 20 0 BDADRP COC[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000398144591 343071692 /nfs/dbraw/zinc/07/16/92/343071692.db2.gz XEUJNFWUOHZVNX-DRZSPHRISA-N 2 0 226.364 1.519 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000236310599 343091592 /nfs/dbraw/zinc/09/15/92/343091592.db2.gz ROZWIIOHVIXSBP-UTUOFQBUSA-N 2 0 212.337 1.273 20 0 BDADRP CC(C)[NH2+]CCC[NH2+][C@H](C)CCCC[NH3+] ZINC000569684666 323036896 /nfs/dbraw/zinc/03/68/96/323036896.db2.gz VXDJTAADKVBRFQ-GFCCVEGCSA-N 3 0 215.385 1.482 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400337855 529690740 /nfs/dbraw/zinc/69/07/40/529690740.db2.gz GNCBGPRXOGLXKM-XQQFMLRXSA-N 2 0 227.396 1.447 20 0 BDADRP Cc1ncsc1CC[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000133618132 343185451 /nfs/dbraw/zinc/18/54/51/343185451.db2.gz IDNHWHDNKHABDE-ONGXEEELSA-N 2 0 239.388 1.806 20 0 BDADRP COC[C@H](C)C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000163552889 343206733 /nfs/dbraw/zinc/20/67/33/343206733.db2.gz AKTLJMIKFZKEHB-VXGBXAGGSA-N 2 0 216.369 1.574 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000336767293 136276085 /nfs/dbraw/zinc/27/60/85/136276085.db2.gz SWGQFYGEIMFQSQ-VXGBXAGGSA-N 2 0 210.365 1.964 20 0 BDADRP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cnn1C ZINC000132173419 343187234 /nfs/dbraw/zinc/18/72/34/343187234.db2.gz JVXPBCXEVFZXBZ-ZYHUDNBSSA-N 2 0 236.363 1.379 20 0 BDADRP CC(C)[NH2+]CCC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000131932874 343237347 /nfs/dbraw/zinc/23/73/47/343237347.db2.gz LPGKUYMOZKUZEQ-NEPJUHHUSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@@H]1CC[C@H](CN2C[C@@H]3CCC[C@]3([NH3+])C2)O1 ZINC000634688069 343246915 /nfs/dbraw/zinc/24/69/15/343246915.db2.gz HEBOOCKBNCQPES-XQHKEYJVSA-N 2 0 224.348 1.367 20 0 BDADRP C[C@@H]1CC[C@@H](C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)O1 ZINC000634688539 343249130 /nfs/dbraw/zinc/24/91/30/343249130.db2.gz VVAOQCYLSOQWDY-RQJABVFESA-N 2 0 238.375 1.485 20 0 BDADRP CC[NH+](CC)CCNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000019802780 343257877 /nfs/dbraw/zinc/25/78/77/343257877.db2.gz BJQXKEOKXLBRFZ-ZDUSSCGKSA-N 2 0 249.358 1.144 20 0 BDADRP C[NH2+]CCCN1CC[C@H](C[NH3+])c2ccccc21 ZINC000634690789 343278755 /nfs/dbraw/zinc/27/87/55/343278755.db2.gz STYVYYOAOVGOIS-GFCCVEGCSA-N 2 0 233.359 1.549 20 0 BDADRP C[C@H]([NH3+])CN1CC[C@H](C[NH3+])c2ccccc21 ZINC000634690839 343279508 /nfs/dbraw/zinc/27/95/08/343279508.db2.gz URFDHWBHNIRTHW-WDEREUQCSA-N 2 0 219.332 1.286 20 0 BDADRP Cc1c[nH]nc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000335635197 136300815 /nfs/dbraw/zinc/30/08/15/136300815.db2.gz QXEHSDVTOTWGAU-STQMWFEESA-N 2 0 248.374 1.540 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc3c[nH]nc32)CC[NH2+]1 ZINC000335637733 136302922 /nfs/dbraw/zinc/30/29/22/136302922.db2.gz HIYLHYJLQBMERZ-MFKMUULPSA-N 2 0 244.342 1.793 20 0 BDADRP C[C@H]1C[C@H]([NH2+]Cc2ccc3c[nH]nc3c2)CC[NH2+]1 ZINC000335641645 136308413 /nfs/dbraw/zinc/30/84/13/136308413.db2.gz VFVZUTVLYLTKAD-GXFFZTMASA-N 2 0 244.342 1.793 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)CC[NH2+]C(C)C ZINC000132021495 343398059 /nfs/dbraw/zinc/39/80/59/343398059.db2.gz QYEBXEXCGVGWBD-LLVKDONJSA-N 2 0 229.368 1.008 20 0 BDADRP Cn1ccnc1[C@@H]1CC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000349153445 136326840 /nfs/dbraw/zinc/32/68/40/136326840.db2.gz SGRKJOWXVSUKMH-CHWSQXEVSA-N 2 0 249.358 1.636 20 0 BDADRP CC(C)[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000151774180 343414617 /nfs/dbraw/zinc/41/46/17/343414617.db2.gz PERHFLFBUNDPMC-LBPRGKRZSA-N 2 0 243.395 1.077 20 0 BDADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCCF)CC[C@H]21 ZINC000247969771 136373378 /nfs/dbraw/zinc/37/33/78/136373378.db2.gz HEOIZCGOJGKGKD-VXGBXAGGSA-N 2 0 214.328 1.762 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@H]1CCCOCC1 ZINC000083425628 343484654 /nfs/dbraw/zinc/48/46/54/343484654.db2.gz UIRDULSMYJAJGV-LBPRGKRZSA-N 2 0 214.353 1.487 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]CCC[NH3+])C12CCC2 ZINC000083684777 343496259 /nfs/dbraw/zinc/49/62/59/343496259.db2.gz PCTQLCSVPWRHAL-WDEREUQCSA-N 2 0 212.337 1.273 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]CCC[NH3+])C1(C)C ZINC000082922847 343470803 /nfs/dbraw/zinc/47/08/03/343470803.db2.gz SSAFJJMYJKYNKU-NXEZZACHSA-N 2 0 200.326 1.128 20 0 BDADRP CSCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000086494477 343621845 /nfs/dbraw/zinc/62/18/45/343621845.db2.gz SIMPFOVIOYIVMQ-UTUOFQBUSA-N 2 0 228.405 1.860 20 0 BDADRP Cc1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)ccn1 ZINC000391278299 343667163 /nfs/dbraw/zinc/66/71/63/343667163.db2.gz DMWVXUKAAIEDHR-LBPRGKRZSA-N 2 0 205.305 1.171 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]CC2=CCCOC2)C1 ZINC000127732917 343745926 /nfs/dbraw/zinc/74/59/26/343745926.db2.gz IPFJNZMBHLSTHB-UONOGXRCSA-N 2 0 238.375 1.796 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1(C)C ZINC000300625156 537813306 /nfs/dbraw/zinc/81/33/06/537813306.db2.gz FGUCJAKYVZFUQI-FRRDWIJNSA-N 2 0 240.391 1.922 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+]CC2)C1(C)C ZINC000300625158 537812680 /nfs/dbraw/zinc/81/26/80/537812680.db2.gz FGUCJAKYVZFUQI-RWMBFGLXSA-N 2 0 240.391 1.922 20 0 BDADRP CC(C)[C@H]1CC[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000336662355 537820410 /nfs/dbraw/zinc/82/04/10/537820410.db2.gz KFYYPKHPFZBGOF-CHWSQXEVSA-N 2 0 228.380 1.589 20 0 BDADRP C[C@H]1C[C@@H](N(C)Cc2cn[nH]c2)CC[N@@H+]1C ZINC000678278116 488235473 /nfs/dbraw/zinc/23/54/73/488235473.db2.gz MNVBDUNZXWAUAA-JQWIXIFHSA-N 2 0 222.336 1.324 20 0 BDADRP C[C@H]1OCC[C@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000577178953 343907328 /nfs/dbraw/zinc/90/73/28/343907328.db2.gz VVKAUNOLADHQBR-ZWNOBZJWSA-N 2 0 220.316 1.412 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2([NH3+])CCOCC2)[C@H]1C ZINC000395141434 362275541 /nfs/dbraw/zinc/27/55/41/362275541.db2.gz FWISPIMQMYMTAU-VWYCJHECSA-N 2 0 212.337 1.128 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732434 344106870 /nfs/dbraw/zinc/10/68/70/344106870.db2.gz GOYMGQFSADZTDE-TUAOUCFPSA-N 2 0 226.364 1.532 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000634733512 344113159 /nfs/dbraw/zinc/11/31/59/344113159.db2.gz HEIWQUCYOLASRA-UPJWGTAASA-N 3 0 239.407 1.624 20 0 BDADRP CN(C[C@H](O)C[NH+](C1CC1)C1CC1)C1CC1 ZINC000625841816 344093287 /nfs/dbraw/zinc/09/32/87/344093287.db2.gz RBTBOZHVRAVEOV-ZDUSSCGKSA-N 2 0 224.348 1.068 20 0 BDADRP CCC[NH+](CCC)CCCNC(=O)[C@H]([NH3+])CC ZINC000130382313 344134526 /nfs/dbraw/zinc/13/45/26/344134526.db2.gz XOHZDXCUMKFMOX-GFCCVEGCSA-N 2 0 243.395 1.352 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc[nH]c2)C1 ZINC000085579483 344207170 /nfs/dbraw/zinc/20/71/70/344207170.db2.gz KDJRWEPWSXUEDT-CYBMUJFWSA-N 2 0 221.348 1.835 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC[C@H]1CC1(F)F ZINC000622043991 344227998 /nfs/dbraw/zinc/22/79/98/344227998.db2.gz RBJSWACWBAWGCF-XWLWVQCSSA-N 2 0 248.317 1.374 20 0 BDADRP COC[C@H](C)[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000131864691 344237398 /nfs/dbraw/zinc/23/73/98/344237398.db2.gz SVFJZINEDADOHW-AXFHLTTASA-N 2 0 212.337 1.236 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000133010631 344310478 /nfs/dbraw/zinc/31/04/78/344310478.db2.gz QUIFCHSLQQNYSH-GMTAPVOTSA-N 2 0 202.342 1.340 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCc2ccc(O)cc2)C1 ZINC000093215381 344312731 /nfs/dbraw/zinc/31/27/31/344312731.db2.gz ZRWOGAVGFSURHG-STQMWFEESA-N 2 0 234.343 1.794 20 0 BDADRP C[C@]1(C[N@@H+]2CCSC(C)(C)C2)CC[NH2+]C1 ZINC000133335917 344315466 /nfs/dbraw/zinc/31/54/66/344315466.db2.gz UEXBUPMMGDBGIA-LBPRGKRZSA-N 2 0 228.405 1.813 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@@H](O)C(C)C)CC1 ZINC000133758146 344321552 /nfs/dbraw/zinc/32/15/52/344321552.db2.gz VDNPHOGHCUWZGJ-GFCCVEGCSA-N 2 0 214.353 1.077 20 0 BDADRP COC(=O)CCCC[N@H+](C)CC(C)(C)C[NH3+] ZINC000600699671 344359798 /nfs/dbraw/zinc/35/97/98/344359798.db2.gz BXVRAOZUKLLULK-UHFFFAOYSA-N 2 0 230.352 1.246 20 0 BDADRP COc1ccc(CN2CCCC[C@H]2[C@@H](C)[NH3+])cn1 ZINC000158318901 344592429 /nfs/dbraw/zinc/59/24/29/344592429.db2.gz FTUUQMTYSYCGMV-YPMHNXCESA-N 2 0 249.358 1.792 20 0 BDADRP C[NH+](C)CCOCC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000336782946 537851755 /nfs/dbraw/zinc/85/17/55/537851755.db2.gz ZBWYRSQDVNZBIL-CHWSQXEVSA-N 2 0 226.364 1.343 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]CCCC[NH3+])C12CCC2 ZINC000083684781 133529667 /nfs/dbraw/zinc/52/96/67/133529667.db2.gz UINHGMPYZZBURZ-NWDGAFQWSA-N 2 0 226.364 1.663 20 0 BDADRP CCO[C@@H]1C[C@H]1[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000578497197 344888215 /nfs/dbraw/zinc/88/82/15/344888215.db2.gz BDIWJIAFXYDEGC-LERXQTSPSA-N 2 0 249.358 1.677 20 0 BDADRP CC[NH2+]CCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000583434692 344954297 /nfs/dbraw/zinc/95/42/97/344954297.db2.gz GMWXWRHFZFRKQI-UHFFFAOYSA-N 3 0 213.369 1.093 20 0 BDADRP COCCCC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386604857 344941420 /nfs/dbraw/zinc/94/14/20/344941420.db2.gz VOYMHULCXJDBPU-VXGBXAGGSA-N 2 0 214.353 1.533 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CCN1CCOC2(CCC2)C1 ZINC000154404551 345033957 /nfs/dbraw/zinc/03/39/57/345033957.db2.gz MMGJJRXXXACLKR-CYBMUJFWSA-N 2 0 238.375 1.726 20 0 BDADRP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[NH+]1CCCCC1 ZINC000667585425 537884261 /nfs/dbraw/zinc/88/42/61/537884261.db2.gz AOLZXLBYBSULFL-STQMWFEESA-N 2 0 224.348 1.241 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@H]1CC[NH+](C)C[C@H]1C ZINC000359594409 345090752 /nfs/dbraw/zinc/09/07/52/345090752.db2.gz UAIXQRHKPYCGPB-MCIONIFRSA-N 2 0 239.407 1.401 20 0 BDADRP C(C[NH+]1CCCC1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000155812157 345106819 /nfs/dbraw/zinc/10/68/19/345106819.db2.gz KJPGZQRINNWLQT-UONOGXRCSA-N 2 0 237.391 1.299 20 0 BDADRP c1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)no1 ZINC000634986641 345172660 /nfs/dbraw/zinc/17/26/60/345172660.db2.gz ABRUGOJYPLUZNO-UHFFFAOYSA-N 2 0 249.358 1.886 20 0 BDADRP C(N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)C12CC(C1)C[NH2+]2 ZINC000634990755 345173690 /nfs/dbraw/zinc/17/36/90/345173690.db2.gz AWVBHABZGBPVNR-RAFNIBEQSA-N 2 0 249.402 1.345 20 0 BDADRP CC(C)[C@@H](C[NH3+])CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000634991643 345178233 /nfs/dbraw/zinc/17/82/33/345178233.db2.gz MPFOUNRNYLTTHM-XQQFMLRXSA-N 2 0 225.380 1.044 20 0 BDADRP CC(C)[C@H](C[NH3+])CN(C)CC(C)(C)C[NH3+] ZINC000634991885 345179242 /nfs/dbraw/zinc/17/92/42/345179242.db2.gz VJWQTRHNLKNZCE-LLVKDONJSA-N 2 0 215.385 1.134 20 0 BDADRP C[N@@H+]1CCC[C@@H]2CN(CC34CC(C3)C[NH2+]4)CC[C@@H]21 ZINC000634993479 345190507 /nfs/dbraw/zinc/19/05/07/345190507.db2.gz WBBRXVGBVHKRLH-FUUBYGMNSA-N 2 0 249.402 1.155 20 0 BDADRP C(N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)C12CC(C1)C[NH2+]2 ZINC000634994490 345181981 /nfs/dbraw/zinc/18/19/81/345181981.db2.gz FIJOFXZYFPUDMN-PIOWNMBXSA-N 2 0 249.402 1.060 20 0 BDADRP C([N@@H+]1CCC2(C1)CCOCC2)C12CC(C1)C[NH2+]2 ZINC000634994894 345182772 /nfs/dbraw/zinc/18/27/72/345182772.db2.gz PJUIEZLTQSTWLW-UHFFFAOYSA-N 2 0 236.359 1.241 20 0 BDADRP CC(C)[C@H](C[NH3+])CNC[C@@H]([NH3+])c1ccccc1 ZINC000634995248 345184559 /nfs/dbraw/zinc/18/45/59/345184559.db2.gz YXAOTBQCUDPQLQ-ZIAGYGMSSA-N 2 0 235.375 1.507 20 0 BDADRP CC(C)[C@H](C[NH3+])CN1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000634995448 345184982 /nfs/dbraw/zinc/18/49/82/345184982.db2.gz FFJWHVUYBSKJTQ-JHJVBQTASA-N 2 0 227.396 1.134 20 0 BDADRP CC(C)[C@H](C[NH3+])C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000634993793 345192223 /nfs/dbraw/zinc/19/22/23/345192223.db2.gz GTYWKOVMWCMMAP-CHWSQXEVSA-N 2 0 227.396 1.278 20 0 BDADRP C[NH+]1CCC2(CCCN2CC23CC(C2)C[NH2+]3)CC1 ZINC000634993999 345192453 /nfs/dbraw/zinc/19/24/53/345192453.db2.gz NCHGBNDZNSLNAI-UHFFFAOYSA-N 2 0 249.402 1.299 20 0 BDADRP CC(C)[C@@H](C[NH3+])CN1CCCCC[C@H]([NH3+])C1 ZINC000634997159 345194484 /nfs/dbraw/zinc/19/44/84/345194484.db2.gz FDAOHKQFDGLEOI-STQMWFEESA-N 2 0 227.396 1.421 20 0 BDADRP N[C@@H]1CCCCC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000634997238 345194759 /nfs/dbraw/zinc/19/47/59/345194759.db2.gz HCSCIENYFDUTFC-CHWSQXEVSA-N 2 0 226.364 1.616 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccsc2)C[C@H]1C[NH3+] ZINC000634998240 345198406 /nfs/dbraw/zinc/19/84/06/345198406.db2.gz CJPCEGHBWORHMF-MWLCHTKSSA-N 2 0 210.346 1.775 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccc3c(c2)CCO3)C[C@H]1C[NH3+] ZINC000634999229 345199223 /nfs/dbraw/zinc/19/92/23/345199223.db2.gz RJQPPFQZMXHFBB-BXUZGUMPSA-N 2 0 246.354 1.648 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1cnccn1 ZINC000635007271 345202614 /nfs/dbraw/zinc/20/26/14/345202614.db2.gz OVQVJQQDSCFNRZ-IJLUTSLNSA-N 2 0 234.347 1.645 20 0 BDADRP CCC[C@@H](CCO)[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000635002890 345205520 /nfs/dbraw/zinc/20/55/20/345205520.db2.gz AWJGELCOKZGMDA-XQQFMLRXSA-N 2 0 228.380 1.658 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635003426 345206185 /nfs/dbraw/zinc/20/61/85/345206185.db2.gz DBBNJHJGGJACNY-USZNOCQGSA-N 3 0 213.369 1.219 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC[C@H]2[NH3+])[C@@H](C)O1 ZINC000635003431 345206189 /nfs/dbraw/zinc/20/61/89/345206189.db2.gz DBQZFBJSMYEFNR-VEGXAWMVSA-N 2 0 226.364 1.802 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635003326 345206274 /nfs/dbraw/zinc/20/62/74/345206274.db2.gz CBNMNGQPVRGRQL-XDQVBPFNSA-N 3 0 239.407 1.482 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)c2nccn21 ZINC000635004336 345207702 /nfs/dbraw/zinc/20/77/02/345207702.db2.gz HZZJJZWDVMGKDU-FDYHWXHSSA-N 2 0 248.374 1.996 20 0 BDADRP C[C@H]1OCC[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635004739 345208759 /nfs/dbraw/zinc/20/87/59/345208759.db2.gz KFMRCFFLZILFBP-KKOKHZNYSA-N 2 0 212.337 1.271 20 0 BDADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000635006565 345210645 /nfs/dbraw/zinc/21/06/45/345210645.db2.gz SFOYYGKWOBLZQC-FDYHWXHSSA-N 3 0 225.380 1.363 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)[C@H]1CCCO1 ZINC000635011252 345212689 /nfs/dbraw/zinc/21/26/89/345212689.db2.gz MXFICXDIPYOPJU-YNEHKIRRSA-N 2 0 240.391 1.922 20 0 BDADRP FC(F)(F)[C@@H]1C[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000635011823 345213934 /nfs/dbraw/zinc/21/39/34/345213934.db2.gz HZESNLNILTWMFC-RCZSTQMZSA-N 2 0 248.292 1.915 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000635012391 345214739 /nfs/dbraw/zinc/21/47/39/345214739.db2.gz MFNDZSVKSLWZRV-QCLAVDOMSA-N 2 0 236.281 1.915 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)[C@H](C)O1 ZINC000635007775 345215105 /nfs/dbraw/zinc/21/51/05/345215105.db2.gz XUQYJLJDFZSVTG-NZEXEKPDSA-N 2 0 226.364 1.659 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCCn2nccc21 ZINC000635012794 345215330 /nfs/dbraw/zinc/21/53/30/345215330.db2.gz PBAKEESSYSVRGL-NEPJUHHUSA-N 2 0 236.363 1.825 20 0 BDADRP CC[C@H](C)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635008872 345216690 /nfs/dbraw/zinc/21/66/90/345216690.db2.gz LAIUPPUKSFTFGW-NSHDSACASA-N 2 0 234.347 1.702 20 0 BDADRP C[C@H]([NH2+]Cc1ccc2cccnc2c1)C1C[NH2+]C1 ZINC000635018729 345222320 /nfs/dbraw/zinc/22/23/20/345222320.db2.gz GVDPWSIYIMOXAY-NSHDSACASA-N 2 0 241.338 1.932 20 0 BDADRP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166673093 537893196 /nfs/dbraw/zinc/89/31/96/537893196.db2.gz UJZVDLDKDHHOBS-IGQOVBAYSA-N 2 0 240.391 1.610 20 0 BDADRP COCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000158493466 345340334 /nfs/dbraw/zinc/34/03/34/345340334.db2.gz VVVOQGMOJMVPQU-RYUDHWBXSA-N 2 0 212.337 1.049 20 0 BDADRP C[C@H]([NH2+]CC1([NH3+])CCCCC1)[C@@H]1CCOC1 ZINC000158627262 345357547 /nfs/dbraw/zinc/35/75/47/345357547.db2.gz AZGQLMGDBVJVFD-NWDGAFQWSA-N 2 0 226.364 1.663 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)[C@H]1CCOC1 ZINC000133404103 345373793 /nfs/dbraw/zinc/37/37/93/345373793.db2.gz USUKVTKOCDWPBC-AVGNSLFASA-N 2 0 226.364 1.343 20 0 BDADRP [NH3+]CCC1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000400637810 345331861 /nfs/dbraw/zinc/33/18/61/345331861.db2.gz RDGMEZSWWMJDFH-CYBMUJFWSA-N 2 0 226.364 1.474 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)NCC[N@H+](CC)C(C)C ZINC000449118436 201811951 /nfs/dbraw/zinc/81/19/51/201811951.db2.gz XTACZZHLGFQYCX-GFCCVEGCSA-N 2 0 243.395 1.221 20 0 BDADRP C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000134103504 345399121 /nfs/dbraw/zinc/39/91/21/345399121.db2.gz YATOEEPIQUNSSZ-GHMZBOCLSA-N 2 0 249.358 1.670 20 0 BDADRP CCC[NH+]1CCC([N@H+](C)CCC(C)(C)O)CC1 ZINC000081671627 345484351 /nfs/dbraw/zinc/48/43/51/345484351.db2.gz LPYBAAKQXOOVJC-UHFFFAOYSA-N 2 0 242.407 1.954 20 0 BDADRP CC(C)=CC[NH+]1CCN(c2nccn2C)CC1 ZINC000089926465 345566076 /nfs/dbraw/zinc/56/60/76/345566076.db2.gz BYNJHHNPFYBWHQ-UHFFFAOYSA-N 2 0 234.347 1.508 20 0 BDADRP CCOCCC[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000221676161 323090960 /nfs/dbraw/zinc/09/09/60/323090960.db2.gz FUCIQGHWWGRXRT-QWHCGFSZSA-N 2 0 228.380 1.733 20 0 BDADRP CC(C)C[C@H](C[NH3+])CC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000662819876 537908573 /nfs/dbraw/zinc/90/85/73/537908573.db2.gz HQQJEYHJPJZLJJ-TUAOUCFPSA-N 2 0 243.395 1.240 20 0 BDADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1ncc[nH]1 ZINC000285499976 537923350 /nfs/dbraw/zinc/92/33/50/537923350.db2.gz ADYMOOWDKTWUIE-JTQLQIEISA-N 2 0 210.325 1.402 20 0 BDADRP Cc1ccc(CC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000605575894 346024301 /nfs/dbraw/zinc/02/43/01/346024301.db2.gz ORTUTIKJBUVWCJ-HUUCEWRRSA-N 2 0 230.355 1.689 20 0 BDADRP OCCC1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000401039016 346037800 /nfs/dbraw/zinc/03/78/00/346037800.db2.gz SOLAGZDIIKJPIS-UHFFFAOYSA-N 2 0 240.391 1.471 20 0 BDADRP COCC[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000447376922 537954773 /nfs/dbraw/zinc/95/47/73/537954773.db2.gz VKZCXTBLOJKKDM-GFCCVEGCSA-N 2 0 228.380 1.685 20 0 BDADRP CCN1CCC([NH2+][C@@H](CO)CCC(C)C)CC1 ZINC000624108990 346237944 /nfs/dbraw/zinc/23/79/44/346237944.db2.gz KAHVPZUVHOXKBE-CQSZACIVSA-N 2 0 242.407 1.857 20 0 BDADRP CSCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000309084464 349947061 /nfs/dbraw/zinc/94/70/61/349947061.db2.gz VKPDNIXMMFDQBW-QJPTWQEYSA-N 2 0 228.405 1.812 20 0 BDADRP Cc1cccc(C)c1CN1CC[C@@H]([NH3+])C1 ZINC000122153625 179034695 /nfs/dbraw/zinc/03/46/95/179034695.db2.gz XEDKZRGSVYYFOR-GFCCVEGCSA-N 2 0 204.317 1.836 20 0 BDADRP Cc1cccc(C)c1C[NH2+]CCN1CC[NH2+]CC1 ZINC000083377660 179037544 /nfs/dbraw/zinc/03/75/44/179037544.db2.gz FLMRWJGHZWYDMZ-UHFFFAOYSA-N 2 0 247.386 1.298 20 0 BDADRP CO[C@@H](C)[C@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000390431454 259388759 /nfs/dbraw/zinc/38/87/59/259388759.db2.gz AFCQOKFFSYZBSG-ZSVAQUKISA-N 2 0 228.380 1.872 20 0 BDADRP CSCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401144031 346312477 /nfs/dbraw/zinc/31/24/77/346312477.db2.gz NMICTUALLMBEPD-GRYCIOLGSA-N 2 0 228.405 1.717 20 0 BDADRP CC(C)OC(=O)CC[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000603432996 349953740 /nfs/dbraw/zinc/95/37/40/349953740.db2.gz LTUMDQMXBCAICY-VHSXEESVSA-N 2 0 228.336 1.044 20 0 BDADRP Cc1cccc(C[N@H+](C)CCN2CC[NH2+]CC2)c1 ZINC000042307308 179065904 /nfs/dbraw/zinc/06/59/04/179065904.db2.gz RXQPOIYIKJXVQD-UHFFFAOYSA-N 2 0 247.386 1.332 20 0 BDADRP COc1cc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)on1 ZINC000641800018 362748890 /nfs/dbraw/zinc/74/88/90/362748890.db2.gz VWPYIVAKWHKQCD-JTQLQIEISA-N 2 0 239.319 1.244 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@H](F)C1)C1C[NH2+]C1 ZINC000580075687 346513441 /nfs/dbraw/zinc/51/34/41/346513441.db2.gz QCQHKFJBBANRHZ-INTQDDNPSA-N 2 0 200.301 1.465 20 0 BDADRP CCn1cc(CC[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)cn1 ZINC000641801317 362755213 /nfs/dbraw/zinc/75/52/13/362755213.db2.gz PQZVGLVRMRXJMZ-RYUDHWBXSA-N 2 0 236.363 1.161 20 0 BDADRP Cc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)c(C)n1 ZINC000641801846 362757449 /nfs/dbraw/zinc/75/74/49/362757449.db2.gz FSQQJXZBUGJZRV-OLZOCXBDSA-N 2 0 233.359 1.914 20 0 BDADRP Cc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)c(C)n1 ZINC000641801847 362758085 /nfs/dbraw/zinc/75/80/85/362758085.db2.gz FSQQJXZBUGJZRV-QWHCGFSZSA-N 2 0 233.359 1.914 20 0 BDADRP C[C@H]1CCC(C)(C)[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000641802122 362758535 /nfs/dbraw/zinc/75/85/35/362758535.db2.gz XVRWGXVGLIGLOX-NWDGAFQWSA-N 2 0 238.375 1.770 20 0 BDADRP C[NH2+]C[C@@H]1CCN([C@H](C)c2ncc(C)o2)C1 ZINC000300400621 346612267 /nfs/dbraw/zinc/61/22/67/346612267.db2.gz KNSOPBUUVDJCMO-MNOVXSKESA-N 2 0 223.320 1.585 20 0 BDADRP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)CC ZINC000310541206 323133021 /nfs/dbraw/zinc/13/30/21/323133021.db2.gz QYHQBOUQQSGBAS-MGPQQGTHSA-N 2 0 242.407 1.857 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCCc2ccccn2)C1 ZINC000577191574 365870297 /nfs/dbraw/zinc/87/02/97/365870297.db2.gz PHRLLIJWKXSROF-OCCSQVGLSA-N 2 0 233.359 1.874 20 0 BDADRP Cc1cc(N2CC[C@H]([NH3+])[C@@H](C)C2)nc(C2CC2)n1 ZINC000582052824 347142132 /nfs/dbraw/zinc/14/21/32/347142132.db2.gz AEFNWVKOJPKBTI-CABZTGNLSA-N 2 0 246.358 1.836 20 0 BDADRP Cc1cc(N2CC[C@@H]([NH3+])[C@H](C)C2)nc(C2CC2)n1 ZINC000582052823 347142272 /nfs/dbraw/zinc/14/22/72/347142272.db2.gz AEFNWVKOJPKBTI-BXKDBHETSA-N 2 0 246.358 1.836 20 0 BDADRP Cc1n[nH]cc1CN1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622004805 370655974 /nfs/dbraw/zinc/65/59/74/370655974.db2.gz VFKKNYCAEYKEBW-VXGBXAGGSA-N 2 0 220.320 1.031 20 0 BDADRP CCCN(C(=O)CC[C@H](C)[NH3+])C1CC[NH2+]CC1 ZINC000193290245 259394204 /nfs/dbraw/zinc/39/42/04/259394204.db2.gz BHPSTEZZTBJGSI-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@H]2CCCCO2)C1 ZINC000250764219 362819843 /nfs/dbraw/zinc/81/98/43/362819843.db2.gz RZYKXPUNUNYHDL-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP CN(C[C@H]1CCC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000582122686 347396857 /nfs/dbraw/zinc/39/68/57/347396857.db2.gz VTQSQJJITKHCRZ-ICIURTGMSA-N 2 0 237.391 1.201 20 0 BDADRP C[NH+](C)CCC[N@H+](C)CC[C@H]1CCOC1 ZINC000577248146 365897918 /nfs/dbraw/zinc/89/79/18/365897918.db2.gz UAEQUGSCSHZCRI-LBPRGKRZSA-N 2 0 214.353 1.297 20 0 BDADRP CCCCOCC[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000082475172 347619566 /nfs/dbraw/zinc/61/95/66/347619566.db2.gz RLBVXYYMHWMCDF-GFCCVEGCSA-N 2 0 228.380 1.862 20 0 BDADRP CCCCOCC[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000082475173 347619734 /nfs/dbraw/zinc/61/97/34/347619734.db2.gz RLBVXYYMHWMCDF-LBPRGKRZSA-N 2 0 228.380 1.862 20 0 BDADRP Cc1ccccc1C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000042307402 179269432 /nfs/dbraw/zinc/26/94/32/179269432.db2.gz XGGAQJRHGGAORY-UHFFFAOYSA-N 2 0 247.386 1.332 20 0 BDADRP COC(=O)c1ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])[nH]1 ZINC000592438465 347778933 /nfs/dbraw/zinc/77/89/33/347778933.db2.gz MQSXTZJTLOBOJR-DTWKUNHWSA-N 2 0 239.319 1.017 20 0 BDADRP CC(C)C[C@H]([NH3+])C[N@H+](C)C[C@@H]1CCCOC1 ZINC000082545723 347800623 /nfs/dbraw/zinc/80/06/23/347800623.db2.gz OZTUSJLDRGSXEU-STQMWFEESA-N 2 0 228.380 1.718 20 0 BDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)CCCC[NH3+])C1 ZINC000070203786 349977169 /nfs/dbraw/zinc/97/71/69/349977169.db2.gz NVABTRGEBKNUGQ-GFCCVEGCSA-N 2 0 241.379 1.058 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)[C@H]1CCOC1 ZINC000253114230 348020349 /nfs/dbraw/zinc/02/03/49/348020349.db2.gz FCWILICEEIRSOR-SYQHCUMBSA-N 2 0 240.391 1.766 20 0 BDADRP CC[C@@H](C[NH+]1CCC2(CCC[N@@H+]2C)CC1)OC ZINC000419231524 192112067 /nfs/dbraw/zinc/11/20/67/192112067.db2.gz SAIQUBDZRNOFHG-ZDUSSCGKSA-N 2 0 240.391 1.972 20 0 BDADRP C[C@H]1CC[C@@H](CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)O1 ZINC000251569702 362887113 /nfs/dbraw/zinc/88/71/13/362887113.db2.gz BQLFTVGIXYPYOE-RNJOBUHISA-N 2 0 224.348 1.380 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](C[C@H]2CCCCO2)C[C@H]1C[NH3+] ZINC000397485094 362888252 /nfs/dbraw/zinc/88/82/52/362888252.db2.gz UAKKSWCDRUVUSO-XJFOESAGSA-N 2 0 240.391 1.861 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](C[C@H]2CCCCO2)C[C@@H]1C[NH3+] ZINC000397485096 362888257 /nfs/dbraw/zinc/88/82/57/362888257.db2.gz UAKKSWCDRUVUSO-ZOBORPQBSA-N 2 0 240.391 1.861 20 0 BDADRP CN1CC[NH+](CCCC[NH2+]CC(C)(C)C)CC1 ZINC000596638311 348598608 /nfs/dbraw/zinc/59/86/08/348598608.db2.gz PZRINXZUNBCONQ-UHFFFAOYSA-N 2 0 241.423 1.650 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+]CCC2CC(O)C2)CC1(C)C ZINC000623508063 362932569 /nfs/dbraw/zinc/93/25/69/362932569.db2.gz HSXNPWJEDTZNST-OTTFEQOBSA-N 2 0 240.391 1.610 20 0 BDADRP CCSCC[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000252688222 349209976 /nfs/dbraw/zinc/20/99/76/349209976.db2.gz NOXGUHBDLRKRQG-NXEZZACHSA-N 2 0 202.367 1.551 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCOC1 ZINC000253080073 349226418 /nfs/dbraw/zinc/22/64/18/349226418.db2.gz VEAWRATWVCGNFD-NNYUYHANSA-N 2 0 212.337 1.271 20 0 BDADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCCOC1 ZINC000349686374 538037811 /nfs/dbraw/zinc/03/78/11/538037811.db2.gz VTZZQVYVGOMLCU-ZDUSSCGKSA-N 2 0 244.379 1.113 20 0 BDADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCCOC1 ZINC000349686373 538037196 /nfs/dbraw/zinc/03/71/96/538037196.db2.gz VTZZQVYVGOMLCU-CYBMUJFWSA-N 2 0 244.379 1.113 20 0 BDADRP [NH3+][C@@H]1CCN(Cc2ccnc3ccccc23)C1 ZINC000060310750 349283974 /nfs/dbraw/zinc/28/39/74/349283974.db2.gz SJLVDMAYJKFQJG-GFCCVEGCSA-N 2 0 227.311 1.768 20 0 BDADRP Cc1ncc(C[NH2+]CCCC[N@@H+](C)C2CC2)o1 ZINC000628304665 349325508 /nfs/dbraw/zinc/32/55/08/349325508.db2.gz KUYZFMIMQTWFOY-UHFFFAOYSA-N 2 0 237.347 1.947 20 0 BDADRP CO[C@@H](C)[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623528395 362947325 /nfs/dbraw/zinc/94/73/25/362947325.db2.gz KLBUXXFZUJCILP-GRYCIOLGSA-N 2 0 228.380 1.872 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+]CCc2cn[nH]c2)CC1(C)C ZINC000623527927 362948265 /nfs/dbraw/zinc/94/82/65/362948265.db2.gz OJCICGLPSVUNQX-GFCCVEGCSA-N 2 0 236.363 1.415 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCC[C@@H]2O)CC1(C)C ZINC000628305871 350102818 /nfs/dbraw/zinc/10/28/18/350102818.db2.gz ZYCCRYWONJHBPA-UPJWGTAASA-N 2 0 240.391 1.610 20 0 BDADRP CC(C)[C@@H](CO)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000132170670 191026721 /nfs/dbraw/zinc/02/67/21/191026721.db2.gz DOTDWQFRHDVYEW-HZSPNIEDSA-N 2 0 234.343 1.738 20 0 BDADRP CCC[C@@H](O)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000133616053 191041864 /nfs/dbraw/zinc/04/18/64/191041864.db2.gz OQHCYYRJSUQXNM-CYBMUJFWSA-N 2 0 228.380 1.610 20 0 BDADRP Cc1ncc(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)[nH]1 ZINC000356750425 180132597 /nfs/dbraw/zinc/13/25/97/180132597.db2.gz CVBJAPWFTLGFIG-VIFPVBQESA-N 2 0 238.335 1.177 20 0 BDADRP C1CC(C([NH2+][C@H]2CC[NH2+]C2)C2CCC2)C1 ZINC000324791009 323282461 /nfs/dbraw/zinc/28/24/61/323282461.db2.gz JYBFJOVYLUUNQA-LBPRGKRZSA-N 2 0 208.349 1.907 20 0 BDADRP C1CC(C([NH2+][C@@H]2CC[NH2+]C2)C2CCC2)C1 ZINC000324791007 323282667 /nfs/dbraw/zinc/28/26/67/323282667.db2.gz JYBFJOVYLUUNQA-GFCCVEGCSA-N 2 0 208.349 1.907 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@H]2CCCOCC2)CC1 ZINC000083425580 350205764 /nfs/dbraw/zinc/20/57/64/350205764.db2.gz QWWHIDGPJQWQIQ-ZDUSSCGKSA-N 2 0 226.364 1.487 20 0 BDADRP Cc1nccc(NC[C@H]2CCCC[N@H+]2C)n1 ZINC000054936351 180201079 /nfs/dbraw/zinc/20/10/79/180201079.db2.gz VONUJENOHAGEHC-LLVKDONJSA-N 2 0 220.320 1.681 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000083525766 350236375 /nfs/dbraw/zinc/23/63/75/350236375.db2.gz DMQJQCHNVTZWIZ-AVGNSLFASA-N 2 0 226.364 1.615 20 0 BDADRP Cc1nccnc1CC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000340495205 180273720 /nfs/dbraw/zinc/27/37/20/180273720.db2.gz UYFWGPWUIQKMDD-DGCLKSJQSA-N 2 0 248.374 1.257 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1NCCC[NH+]1CCCCC1 ZINC000422777297 192462521 /nfs/dbraw/zinc/46/25/21/192462521.db2.gz CAVPGTJLZSTKGL-OLZOCXBDSA-N 2 0 225.380 1.332 20 0 BDADRP Cc1ncsc1CC[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000050285434 180309044 /nfs/dbraw/zinc/30/90/44/180309044.db2.gz CMBIKXSLVOGLDY-LLVKDONJSA-N 2 0 239.388 1.665 20 0 BDADRP Cc1ncsc1C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000335037197 180322970 /nfs/dbraw/zinc/32/29/70/180322970.db2.gz BAALJJWNPQJGRP-GXSJLCMTSA-N 2 0 239.388 1.929 20 0 BDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000328533472 350402497 /nfs/dbraw/zinc/40/24/97/350402497.db2.gz YZVWXVLQSKAWSK-MJBXVCDLSA-N 2 0 242.407 1.843 20 0 BDADRP CCC[NH+]1CCC(N[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000422786343 192467441 /nfs/dbraw/zinc/46/74/41/192467441.db2.gz QFFJGPCXXXMPTR-QWHCGFSZSA-N 2 0 225.380 1.330 20 0 BDADRP CC(C)[C@H]1C[C@H]([NH2+]CCC[NH+](C)C)CCO1 ZINC000069858517 350416873 /nfs/dbraw/zinc/41/68/73/350416873.db2.gz WFWBDAMDYAQSIK-CHWSQXEVSA-N 2 0 228.380 1.731 20 0 BDADRP CO[C@@H]([C@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000388280014 362962421 /nfs/dbraw/zinc/96/24/21/362962421.db2.gz LQZGPQZSFZXNBV-BQUFFADESA-N 2 0 226.364 1.659 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])[C@@H](C)O1 ZINC000384735294 350496945 /nfs/dbraw/zinc/49/69/45/350496945.db2.gz KMSLESSIRDNJGZ-VEGXAWMVSA-N 2 0 226.364 1.659 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CSC1(C)C ZINC000393857337 259415183 /nfs/dbraw/zinc/41/51/83/259415183.db2.gz VVPQYIHFFUIACN-IUCAKERBSA-N 2 0 202.367 1.597 20 0 BDADRP C[C@H](C[NH2+][C@H]1CCO[C@H](C)C1)C[NH+]1CCCC1 ZINC000070361848 350531146 /nfs/dbraw/zinc/53/11/46/350531146.db2.gz IDQAXAAGGKVOFZ-MCIONIFRSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@H](O)C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000062071268 350538801 /nfs/dbraw/zinc/53/88/01/350538801.db2.gz ZYHLZEHWFLKYGJ-NEPJUHHUSA-N 2 0 214.353 1.079 20 0 BDADRP [NH3+]CCOCC[N@H+](C1CC1)C1CCCC1 ZINC000309538880 350710020 /nfs/dbraw/zinc/71/00/20/350710020.db2.gz GCJCRRMNQYKFAY-UHFFFAOYSA-N 2 0 212.337 1.369 20 0 BDADRP CC[C@@H]([NH2+]CC[C@H](O)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000422792054 192469885 /nfs/dbraw/zinc/46/98/85/192469885.db2.gz ZAIGAGSJOCIQBV-AGIUHOORSA-N 2 0 228.380 1.514 20 0 BDADRP COC[C@H](C)C[NH2+]C1(C)CC[NH2+]CC1 ZINC000577589496 366008451 /nfs/dbraw/zinc/00/84/51/366008451.db2.gz CILRVSAMEAFFDL-SNVBAGLBSA-N 2 0 200.326 1.001 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+]CC[C@@H]1CCOC1 ZINC000336676470 191125154 /nfs/dbraw/zinc/12/51/54/191125154.db2.gz PTXAJINLTMEDGW-CYBMUJFWSA-N 2 0 228.380 1.733 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000223644615 535160148 /nfs/dbraw/zinc/16/01/48/535160148.db2.gz PXYPDKUOEUJQEL-QJPTWQEYSA-N 2 0 214.353 1.076 20 0 BDADRP [NH3+]Cc1cccc(NC(=O)C2=CC[C@@H]([NH3+])C2)c1 ZINC000637800689 351636511 /nfs/dbraw/zinc/63/65/11/351636511.db2.gz HISICTRKAOQBME-LLVKDONJSA-N 2 0 231.299 1.131 20 0 BDADRP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000637817359 351661635 /nfs/dbraw/zinc/66/16/35/351661635.db2.gz UQKXFLCSLOAYNQ-VXGBXAGGSA-N 2 0 241.379 1.008 20 0 BDADRP CC[NH2+]Cc1ccccc1NC(=O)[C@@H](C)[NH2+]CC ZINC000637809095 351645154 /nfs/dbraw/zinc/64/51/54/351645154.db2.gz PNIHLOAIHCQPOE-LLVKDONJSA-N 2 0 249.358 1.733 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)C2=CC[C@@H]([NH3+])C2)c1 ZINC000637810003 351650281 /nfs/dbraw/zinc/65/02/81/351650281.db2.gz ZNTRFBQFBFLCNV-GFCCVEGCSA-N 2 0 245.326 1.392 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)NCCC[NH2+]C(C)C ZINC000637827740 351670428 /nfs/dbraw/zinc/67/04/28/351670428.db2.gz BLUYKZIUXUIITB-LBPRGKRZSA-N 2 0 243.395 1.254 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)CCC2C[NH2+]C2)cc1 ZINC000637856899 351716979 /nfs/dbraw/zinc/71/69/79/351716979.db2.gz JDQKFZBZSYWYFA-SNVBAGLBSA-N 2 0 247.342 1.644 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1cnc2cccc(C)n12 ZINC000414843533 351830541 /nfs/dbraw/zinc/83/05/41/351830541.db2.gz QDERMUMTHQFHSV-LLVKDONJSA-N 2 0 246.358 1.588 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)NCCCC[NH+](C)C ZINC000638068786 351940370 /nfs/dbraw/zinc/94/03/70/351940370.db2.gz ZJIAYOCDWSFTCJ-LBPRGKRZSA-N 2 0 243.395 1.208 20 0 BDADRP [NH3+]C[C@H](N[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000414854747 351905715 /nfs/dbraw/zinc/90/57/15/351905715.db2.gz VJBHTNWMGASQNG-STQMWFEESA-N 2 0 225.380 1.236 20 0 BDADRP CC[C@H](C)[C@H](C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)OC ZINC000638186072 352050710 /nfs/dbraw/zinc/05/07/10/352050710.db2.gz KLHTZZWSPFYAET-CYDGBPFRSA-N 2 0 226.364 1.199 20 0 BDADRP CC[C@H](C)[C@H](C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)OC ZINC000638186073 352051100 /nfs/dbraw/zinc/05/11/00/352051100.db2.gz KLHTZZWSPFYAET-LOWDOPEQSA-N 2 0 226.364 1.199 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000638270615 352108718 /nfs/dbraw/zinc/10/87/18/352108718.db2.gz JMGNMFFQVFZPME-WDEREUQCSA-N 2 0 241.379 1.007 20 0 BDADRP CC(C)CC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000638350479 352166367 /nfs/dbraw/zinc/16/63/67/352166367.db2.gz JGLUNGOBMRCBDV-IJLUTSLNSA-N 2 0 241.379 1.007 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@@](C)(OC)C2CC2)C1 ZINC000638381346 352193338 /nfs/dbraw/zinc/19/33/38/352193338.db2.gz KIWYSVDBZDIRDN-GXTWGEPZSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H](C[NH2+]CCC[C@@H]1CCO1)C[NH+]1CCCC1 ZINC000638385335 352196026 /nfs/dbraw/zinc/19/60/26/352196026.db2.gz HWQWVWIJOGZFOP-ZIAGYGMSSA-N 2 0 240.391 1.877 20 0 BDADRP CC[C@H](C)[C@@H](C[NH2+]CCCC[NH+](C)C)OC ZINC000638451065 352258046 /nfs/dbraw/zinc/25/80/46/352258046.db2.gz JZORWJWDXNILES-QWHCGFSZSA-N 2 0 230.396 1.979 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+]CCC[C@@H]2CCO2)C1 ZINC000638452237 352261935 /nfs/dbraw/zinc/26/19/35/352261935.db2.gz VVVOSTJXQLJWAY-ZIAGYGMSSA-N 2 0 240.391 1.877 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](OC)C2CC2)C1 ZINC000638452421 352262655 /nfs/dbraw/zinc/26/26/55/352262655.db2.gz YXXQLEDBIUYAGS-TZMCWYRMSA-N 2 0 240.391 1.733 20 0 BDADRP CC[C@@H]1CN(C[C@@]2(C)CC[NH2+]C2)CCO1 ZINC000219856173 363142422 /nfs/dbraw/zinc/14/24/22/363142422.db2.gz ZSPAEPDHKSMAEU-NEPJUHHUSA-N 2 0 212.337 1.097 20 0 BDADRP CC(C)(C)[NH2+]CCNC[C@]1(C)CCC[NH2+]C1 ZINC000414919530 352281540 /nfs/dbraw/zinc/28/15/40/352281540.db2.gz XGYQXJNMLQHOKW-CYBMUJFWSA-N 2 0 227.396 1.354 20 0 BDADRP CCC[NH+]1CCC(N[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414944608 352367237 /nfs/dbraw/zinc/36/72/37/352367237.db2.gz HCQDHNKFPDAJIG-OCCSQVGLSA-N 2 0 239.407 1.591 20 0 BDADRP C[NH+](C)[C@@H]1CCC[N@H+](CCC2(O)CCC2)CC1 ZINC000411642010 191203074 /nfs/dbraw/zinc/20/30/74/191203074.db2.gz YCVPRXYBJHHINR-CYBMUJFWSA-N 2 0 240.391 1.708 20 0 BDADRP CCOC1CC(C[NH2+]C[C@H](C)N(C)C2CC2)C1 ZINC000638574277 352404521 /nfs/dbraw/zinc/40/45/21/352404521.db2.gz BQUFLKNVOIEYPP-DCBWTQNWSA-N 2 0 240.391 1.874 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccccn2)C1 ZINC000086402096 538104179 /nfs/dbraw/zinc/10/41/79/538104179.db2.gz DNUOGMBJNUKMBB-GHMZBOCLSA-N 2 0 205.305 1.441 20 0 BDADRP C(CN1CC[NH2+]CC1)[NH2+]C1CCCCCC1 ZINC000040397534 352597161 /nfs/dbraw/zinc/59/71/61/352597161.db2.gz OFOHSYYCVMVTHW-UHFFFAOYSA-N 2 0 225.380 1.204 20 0 BDADRP CC(C)(O)C[NH+]1CCC([NH2+]CC2(C)CC2)CC1 ZINC000638721891 352573335 /nfs/dbraw/zinc/57/33/35/352573335.db2.gz PACPHFNCZXCFQP-UHFFFAOYSA-N 2 0 240.391 1.611 20 0 BDADRP CC1CC([NH2+]C2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000638727003 352585230 /nfs/dbraw/zinc/58/52/30/352585230.db2.gz YEYIXXWSJLSZJK-UHFFFAOYSA-N 2 0 240.391 1.610 20 0 BDADRP C[N@H+](CCC1CC[NH2+]CC1)C[C@@H]1CCCO1 ZINC000042464362 352621760 /nfs/dbraw/zinc/62/17/60/352621760.db2.gz UFTITITXLXGRFY-ZDUSSCGKSA-N 2 0 226.364 1.487 20 0 BDADRP CC(C)C[C@H](CNC(=O)[C@H](C)[C@H](C)[NH3+])[NH+](C)C ZINC000248491229 187810396 /nfs/dbraw/zinc/81/03/96/187810396.db2.gz NUDRSZRLAFNYFK-GRYCIOLGSA-N 2 0 243.395 1.062 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@@H]2CCC[C@@H]2OC)CC1 ZINC000341882863 352730237 /nfs/dbraw/zinc/73/02/37/352730237.db2.gz HIHYUEPQBKYUOR-JSGCOSHPSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000334177195 352762594 /nfs/dbraw/zinc/76/25/94/352762594.db2.gz DHYVRMNFVLEIOD-OLZOCXBDSA-N 2 0 239.407 1.258 20 0 BDADRP C[C@H]1CN(C)C[C@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000334177196 352762937 /nfs/dbraw/zinc/76/29/37/352762937.db2.gz DHYVRMNFVLEIOD-QWHCGFSZSA-N 2 0 239.407 1.258 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](O)C(C)(C)C1 ZINC000334215252 352814369 /nfs/dbraw/zinc/81/43/69/352814369.db2.gz UGUUNNWUDGBBCZ-CHWSQXEVSA-N 2 0 240.391 1.564 20 0 BDADRP CCOCC[N@H+](CC)CCCn1ccnc1C ZINC000342864937 352881656 /nfs/dbraw/zinc/88/16/56/352881656.db2.gz RIJPQGKBHJWOMF-UHFFFAOYSA-N 2 0 239.363 1.940 20 0 BDADRP C[C@H]1CN(CC[C@@H]2CCCC[N@@H+]2C)CCO1 ZINC000334268021 352904192 /nfs/dbraw/zinc/90/41/92/352904192.db2.gz OGBCHINWZSQALU-STQMWFEESA-N 2 0 226.364 1.582 20 0 BDADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@@H]1CC1(F)F ZINC000638839223 353016695 /nfs/dbraw/zinc/01/66/95/353016695.db2.gz ZVCRKKGQKHGXQB-ONGXEEELSA-N 2 0 230.302 1.882 20 0 BDADRP C[N@H+]1CC=C(C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000638838027 353022618 /nfs/dbraw/zinc/02/26/18/353022618.db2.gz BXHSFEDDVRCETK-BTTYYORXSA-N 2 0 220.360 1.884 20 0 BDADRP CSC1(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000307054942 353052094 /nfs/dbraw/zinc/05/20/94/353052094.db2.gz YIEHJLMKKVJUCJ-AOOOYVTPSA-N 2 0 212.362 1.033 20 0 BDADRP CC[C@H](C(=O)N1C[C@@H]([NH3+])C[C@H]1C)[NH+](CC)CC ZINC000638934395 353097673 /nfs/dbraw/zinc/09/76/73/353097673.db2.gz HUBSQHRGPKADFK-GRYCIOLGSA-N 2 0 241.379 1.055 20 0 BDADRP C[N@H+](CCOCC(F)(F)F)C1CC[NH2+]CC1 ZINC000049311719 353161436 /nfs/dbraw/zinc/16/14/36/353161436.db2.gz YZSOQUTZJCPICY-UHFFFAOYSA-N 2 0 240.269 1.249 20 0 BDADRP C[N@H+](CCn1cccn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000049326201 353162294 /nfs/dbraw/zinc/16/22/94/353162294.db2.gz OLIIJZULUBPLEG-FUNVUKJBSA-N 2 0 234.347 1.098 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)CCC[NH3+])C1CCOCC1 ZINC000422813462 192479217 /nfs/dbraw/zinc/47/92/17/192479217.db2.gz RZZIPAAAYUIQNC-AAEUAGOBSA-N 2 0 228.380 1.909 20 0 BDADRP [NH3+]Cc1ccc(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC000639021170 353279076 /nfs/dbraw/zinc/27/90/76/353279076.db2.gz DAYBVYRUKQUOOU-JOCQHMNTSA-N 2 0 247.342 1.145 20 0 BDADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)C(C)C ZINC000122790727 324058681 /nfs/dbraw/zinc/05/86/81/324058681.db2.gz YFMGKBDCDZWMOL-STQMWFEESA-N 2 0 230.396 1.977 20 0 BDADRP Cc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000085282165 538115919 /nfs/dbraw/zinc/11/59/19/538115919.db2.gz URKBYDKATQDOLM-GHMZBOCLSA-N 2 0 222.357 1.708 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+](CC3CCOCC3)C2)C1 ZINC000334509295 353408955 /nfs/dbraw/zinc/40/89/55/353408955.db2.gz GKPHZQDDPGFSMB-CQSZACIVSA-N 2 0 238.375 1.441 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)[C@H]1CCCOC1 ZINC000388813251 353413658 /nfs/dbraw/zinc/41/36/58/353413658.db2.gz DFGWEFXZRNMJPT-AAEUAGOBSA-N 2 0 226.364 1.391 20 0 BDADRP CO[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)CC[C@@H]1C ZINC000230310972 353486063 /nfs/dbraw/zinc/48/60/63/353486063.db2.gz ALRGZEZXOAFTLY-GXTWGEPZSA-N 2 0 240.391 1.733 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)C(C)(C)C ZINC000572497341 324134121 /nfs/dbraw/zinc/13/41/21/324134121.db2.gz LPQVIYNSHPYTGX-QJPTWQEYSA-N 2 0 228.380 1.907 20 0 BDADRP CCN(CCC[NH+](C)C)C(=O)C1([NH3+])CCCC1 ZINC000230711125 353519327 /nfs/dbraw/zinc/51/93/27/353519327.db2.gz QSGYPSFKRSMBLB-UHFFFAOYSA-N 2 0 241.379 1.058 20 0 BDADRP CC1(C)[C@H]([NH2+]Cc2ccccc2)C[C@@H]1[NH3+] ZINC000405461624 353497263 /nfs/dbraw/zinc/49/72/63/353497263.db2.gz IUROQWWGKUNSIR-NWDGAFQWSA-N 2 0 204.317 1.902 20 0 BDADRP Cc1ccoc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000308871639 353586968 /nfs/dbraw/zinc/58/69/68/353586968.db2.gz ZEBLFROSMLINFR-MNOVXSKESA-N 2 0 208.305 1.948 20 0 BDADRP C[C@H](CN[C@@H]1C[N@H+](C)C[C@H]1C)C[NH+]1CCCC1 ZINC000343331331 353739106 /nfs/dbraw/zinc/73/91/06/353739106.db2.gz JALPIAKCJHIZNN-MGPQQGTHSA-N 2 0 239.407 1.258 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000343413392 353879686 /nfs/dbraw/zinc/87/96/86/353879686.db2.gz IGILVHCTMPJNKS-QJPTWQEYSA-N 2 0 241.379 1.008 20 0 BDADRP CCCC[N@H+](C)C[C@H](C)N[C@@H]1C[NH+](C)C[C@@H]1C ZINC000343987615 354061513 /nfs/dbraw/zinc/06/15/13/354061513.db2.gz OCQQGRMSXLJXLU-MELADBBJSA-N 2 0 241.423 1.647 20 0 BDADRP CCOC1CC(C[N@H+](C)CCC[NH+](C)C)C1 ZINC000639168856 354056994 /nfs/dbraw/zinc/05/69/94/354056994.db2.gz ZIJSPBTWSWMZMY-UHFFFAOYSA-N 2 0 228.380 1.685 20 0 BDADRP CC(C)C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344028316 354090511 /nfs/dbraw/zinc/09/05/11/354090511.db2.gz MYDKMWAGIHPBFC-UHFFFAOYSA-N 2 0 229.412 1.458 20 0 BDADRP CCCC[C@@H]([NH3+])C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000449686768 202001935 /nfs/dbraw/zinc/00/19/35/202001935.db2.gz YBLCGQASRBGSHC-NWDGAFQWSA-N 2 0 241.379 1.152 20 0 BDADRP CCN1C[C@H](C)[C@H]([NH2+]C[C@H](C)N(C)C2CC2)C1 ZINC000344221564 354181521 /nfs/dbraw/zinc/18/15/21/354181521.db2.gz MTMCXZPOIDNAAN-SGMGOOAPSA-N 2 0 239.407 1.399 20 0 BDADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000344331021 354227421 /nfs/dbraw/zinc/22/74/21/354227421.db2.gz ONQSEEWSNXMLDQ-IUODEOHRSA-N 2 0 249.402 1.321 20 0 BDADRP C[C@@H](C(=O)Nc1ccc([C@H](C)[NH3+])cc1)[C@H](C)[NH3+] ZINC000578005662 366174154 /nfs/dbraw/zinc/17/41/54/366174154.db2.gz FGZKQYBEBMBHBP-UTLUCORTSA-N 2 0 235.331 1.628 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)CC(C)C ZINC000234748024 363429033 /nfs/dbraw/zinc/42/90/33/363429033.db2.gz OIOOCRYUYAEZPI-VXGBXAGGSA-N 2 0 216.369 1.765 20 0 BDADRP C[C@H]([NH3+])c1ccc(N[C@@H]2CCC[NH2+]C2)cc1 ZINC000335177380 354946733 /nfs/dbraw/zinc/94/67/33/354946733.db2.gz JSDUYSJXMSDJOL-GXFFZTMASA-N 2 0 219.332 1.870 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@H]2CCCO2)C1 ZINC000346460651 354964956 /nfs/dbraw/zinc/96/49/56/354964956.db2.gz MXUZTBUEHZZEAW-MGPQQGTHSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)[C@@H]([NH3+])CCN(C)C[C@H]1CCC[NH2+]C1 ZINC000346685903 355011849 /nfs/dbraw/zinc/01/18/49/355011849.db2.gz QTHPLSZDBOYCKW-STQMWFEESA-N 2 0 227.396 1.291 20 0 BDADRP CC[C@@H]1C[C@H](C[NH+]2CCC(C[NH3+])CC2)CCO1 ZINC000346636714 355014848 /nfs/dbraw/zinc/01/48/48/355014848.db2.gz HKFDDXRUUTUUTJ-ZIAGYGMSSA-N 2 0 240.391 1.862 20 0 BDADRP CCOc1cccc(CN2CC[C@@H](C[NH3+])C2)n1 ZINC000347015476 355205552 /nfs/dbraw/zinc/20/55/52/355205552.db2.gz JMPOXWKIGBSTLE-NSHDSACASA-N 2 0 235.331 1.261 20 0 BDADRP C[C@H]1CC2(C[N@@H+]1CCCF)CC[NH2+]CC2 ZINC000335280575 355244139 /nfs/dbraw/zinc/24/41/39/355244139.db2.gz WFUCYINSTQZFDT-NSHDSACASA-N 2 0 214.328 1.810 20 0 BDADRP CC[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)OC ZINC000412979009 191349422 /nfs/dbraw/zinc/34/94/22/191349422.db2.gz RQWOEEVTSFSGCO-UONOGXRCSA-N 2 0 240.391 1.829 20 0 BDADRP Cc1cnc(C[NH2+]CCCC[N@@H+](C)C2CC2)o1 ZINC000639247050 355275509 /nfs/dbraw/zinc/27/55/09/355275509.db2.gz PATKOIOTKHENQY-UHFFFAOYSA-N 2 0 237.347 1.947 20 0 BDADRP CO[C@H](C[NH2+]Cc1ccc2c[nH+]cn2c1)C1CC1 ZINC000639257429 355302760 /nfs/dbraw/zinc/30/27/60/355302760.db2.gz UCFWOMDKEMBXPC-CQSZACIVSA-N 2 0 245.326 1.849 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCO[C@@H](C)C1 ZINC000388942665 355372113 /nfs/dbraw/zinc/37/21/13/355372113.db2.gz SGXHKQYYXNGISQ-FRRDWIJNSA-N 2 0 228.380 1.909 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(O)cc(F)c1 ZINC000414809447 191575678 /nfs/dbraw/zinc/57/56/78/191575678.db2.gz UEMMRPVKGSSMFA-GWCFXTLKSA-N 2 0 238.306 1.748 20 0 BDADRP CC[C@@H]1C[C@@H](C[NH2+]CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000414826608 191587992 /nfs/dbraw/zinc/58/79/92/191587992.db2.gz FUGPCZSGIRZGBZ-MELADBBJSA-N 2 0 240.391 1.781 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(F)cc1 ZINC000414850186 191599740 /nfs/dbraw/zinc/59/97/40/191599740.db2.gz YZLBYNJZHXLZCW-JTQLQIEISA-N 2 0 210.296 1.771 20 0 BDADRP C[C@@H]1CC([NH2+]CCN2CC[NH2+]CC2)C[C@@H](C)C1 ZINC000414859990 191603878 /nfs/dbraw/zinc/60/38/78/191603878.db2.gz BWKJCDSPMPAMFR-STQMWFEESA-N 2 0 239.407 1.306 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CCN2CC[NH2+]CC2)[C@H](C)C1 ZINC000414865114 191606132 /nfs/dbraw/zinc/60/61/32/191606132.db2.gz CTLIXANZFLLQOB-MCIONIFRSA-N 2 0 239.407 1.306 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CCN2CC[NH2+]CC2)[C@H](C)C1 ZINC000414865116 191606538 /nfs/dbraw/zinc/60/65/38/191606538.db2.gz CTLIXANZFLLQOB-MGPQQGTHSA-N 2 0 239.407 1.306 20 0 BDADRP CC[C@@H]1C[C@@H](C[NH2+][C@@H](C)CCC[NH3+])CCO1 ZINC000415019722 191653806 /nfs/dbraw/zinc/65/38/06/191653806.db2.gz ILVYBDNWIRXNTO-RWMBFGLXSA-N 2 0 228.380 1.909 20 0 BDADRP Cc1ccn2c(C[NH2+][C@@H](C)CCC[NH3+])cnc2c1 ZINC000415027103 191656297 /nfs/dbraw/zinc/65/62/97/191656297.db2.gz WBFCSOYMCGNCMX-LBPRGKRZSA-N 2 0 246.358 1.860 20 0 BDADRP CC(C)n1nccc1C[NH2+]C[C@@H](C)C[NH3+] ZINC000414884032 191614503 /nfs/dbraw/zinc/61/45/03/191614503.db2.gz VKLDSDUCGDMVTR-JTQLQIEISA-N 2 0 210.325 1.148 20 0 BDADRP [NH3+]CC1CCC([NH2+]CCc2ccccn2)CC1 ZINC000415120978 191682769 /nfs/dbraw/zinc/68/27/69/191682769.db2.gz YLNVMKAGGYXKOK-UHFFFAOYSA-N 2 0 233.359 1.731 20 0 BDADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cccs2)C1 ZINC000415038361 191659912 /nfs/dbraw/zinc/65/99/12/191659912.db2.gz NGWYSHLWUIHZDR-VHSXEESVSA-N 2 0 210.346 1.965 20 0 BDADRP NC[C@H]([NH2+]C1CCC(C[NH3+])CC1)C1CCCC1 ZINC000415043621 191660533 /nfs/dbraw/zinc/66/05/33/191660533.db2.gz ASINIUGOTVTLMM-UBHUBRDASA-N 2 0 239.407 1.611 20 0 BDADRP CO[C@H](C[NH2+]C[C@H]1CCN1C(C)(C)C)C1CC1 ZINC000639301715 355642438 /nfs/dbraw/zinc/64/24/38/355642438.db2.gz ANHHRJJKPZYQRA-CHWSQXEVSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])[C@@H]1CCCOC1 ZINC000389098021 355658944 /nfs/dbraw/zinc/65/89/44/355658944.db2.gz RCEUSYZELPDDGD-IGQOVBAYSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])[C@H]1CCCOC1 ZINC000389098023 355659311 /nfs/dbraw/zinc/65/93/11/355659311.db2.gz RCEUSYZELPDDGD-RFQIPJPRSA-N 2 0 240.391 1.909 20 0 BDADRP C[NH+](C)CC1CC[NH+](Cc2ccncc2)CC1 ZINC000350183198 355622119 /nfs/dbraw/zinc/62/21/19/355622119.db2.gz DQUHTEPUQWZJND-UHFFFAOYSA-N 2 0 233.359 1.855 20 0 BDADRP C[NH2+]CCC1CC[NH+](Cc2cncs2)CC1 ZINC000166661931 355740387 /nfs/dbraw/zinc/74/03/87/355740387.db2.gz JFEVTCPVZMMYKZ-UHFFFAOYSA-N 2 0 239.388 1.965 20 0 BDADRP Cc1nn(C)c(C)c1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000216002318 355791275 /nfs/dbraw/zinc/79/12/75/355791275.db2.gz QQZHHTURQJYNBZ-CABZTGNLSA-N 2 0 236.363 1.206 20 0 BDADRP CN(C)c1cccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000608492894 355818269 /nfs/dbraw/zinc/81/82/69/355818269.db2.gz IPSHINKFRIVQSG-ZIAGYGMSSA-N 2 0 245.370 1.404 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccccc2N(C)C)CC[C@@H]1[NH3+] ZINC000336054898 134066000 /nfs/dbraw/zinc/06/60/00/134066000.db2.gz RMCHNZWIAPFSJJ-OCCSQVGLSA-N 2 0 247.386 1.922 20 0 BDADRP CC[C@@]1(O)CCC[N@H+](Cc2cnc3n2CCC3)C1 ZINC000639382771 355931620 /nfs/dbraw/zinc/93/16/20/355931620.db2.gz WTQCDOYXFJLJBK-CQSZACIVSA-N 2 0 249.358 1.566 20 0 BDADRP [NH3+]CCN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000034248903 355886315 /nfs/dbraw/zinc/88/63/15/355886315.db2.gz ANKADJMMYCKCMP-AWEZNQCLSA-N 2 0 239.407 1.533 20 0 BDADRP CCc1noc(C)c1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351472309 355997519 /nfs/dbraw/zinc/99/75/19/355997519.db2.gz AOZKFPBMGLWEEA-UHTWSYAYSA-N 2 0 249.358 1.715 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000422863047 192490922 /nfs/dbraw/zinc/49/09/22/192490922.db2.gz QZJBIBJWEPGNMW-ZIAGYGMSSA-N 2 0 247.386 1.982 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000666444463 491088524 /nfs/dbraw/zinc/08/85/24/491088524.db2.gz GIOJZEOZHRVNET-OPRDCNLKSA-N 2 0 220.307 1.960 20 0 BDADRP C[C@@H]1OCC[C@H]1C[NH+]1CCC([NH+](C)C)CC1 ZINC000639450513 356234726 /nfs/dbraw/zinc/23/47/26/356234726.db2.gz QJRRRRNIPILGEG-RYUDHWBXSA-N 2 0 226.364 1.437 20 0 BDADRP CC[NH+](CC)CCCN1CCC[C@@H](C[NH2+]C)C1 ZINC000420265057 192192971 /nfs/dbraw/zinc/19/29/71/192192971.db2.gz BAEPAZIHLIECDQ-AWEZNQCLSA-N 2 0 241.423 1.650 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+](CC[C@H]3CCOC3)C2)C1 ZINC000336113248 134087355 /nfs/dbraw/zinc/08/73/55/134087355.db2.gz RQPLJCMOAGIEQV-UONOGXRCSA-N 2 0 238.375 1.441 20 0 BDADRP C[C@@H]([NH2+]C[C@H](C)N(C)c1ccccc1)C1C[NH2+]C1 ZINC000422866944 192493191 /nfs/dbraw/zinc/49/31/91/192493191.db2.gz RFNPLUYCEHWJNC-QWHCGFSZSA-N 2 0 247.386 1.709 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCS[C@@H](C)CC1 ZINC000379473565 358501308 /nfs/dbraw/zinc/50/13/08/358501308.db2.gz VJEBJPZEQIFPQF-NWDGAFQWSA-N 2 0 246.420 1.126 20 0 BDADRP [NH3+]C1(C[NH2+]CC[C@@H]2CCCCO2)CCC1 ZINC000420302420 192207386 /nfs/dbraw/zinc/20/73/86/192207386.db2.gz GAPYJKCDDKYDDJ-NSHDSACASA-N 2 0 212.337 1.417 20 0 BDADRP Cc1noc(CCC[N@@H+](C)CC(C)(C)C[NH3+])n1 ZINC000420297950 192204281 /nfs/dbraw/zinc/20/42/81/192204281.db2.gz ZEEHKUOKOXZRLC-UHFFFAOYSA-N 2 0 240.351 1.227 20 0 BDADRP FCCC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000420320997 192195487 /nfs/dbraw/zinc/19/54/87/192195487.db2.gz UZHDBOXPYMWWKL-GFCCVEGCSA-N 2 0 214.328 1.668 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420318931 192195940 /nfs/dbraw/zinc/19/59/40/192195940.db2.gz WWVHEESFCGKALG-KBPBESRZSA-N 3 0 239.407 1.437 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000420319758 192196068 /nfs/dbraw/zinc/19/60/68/192196068.db2.gz SCEAKQMLDHWBSN-UONOGXRCSA-N 2 0 239.407 1.402 20 0 BDADRP CN(CCC[NH+]1CCCCC1)C1CC[NH2+]CC1 ZINC000420273330 192197661 /nfs/dbraw/zinc/19/76/61/192197661.db2.gz NCMZNVPRJAXHCR-UHFFFAOYSA-N 2 0 239.407 1.546 20 0 BDADRP CC[N@H+](CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000422879793 192495235 /nfs/dbraw/zinc/49/52/35/192495235.db2.gz MQSDNPRRCZCQBO-PBWFPOADSA-N 2 0 239.407 1.589 20 0 BDADRP CC(C)OC(=O)CC[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000420286392 192201133 /nfs/dbraw/zinc/20/11/33/192201133.db2.gz GGHJIFLRGNKGQY-GFCCVEGCSA-N 2 0 244.379 1.633 20 0 BDADRP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)C[C@H](C)N1 ZINC000420291404 192202985 /nfs/dbraw/zinc/20/29/85/192202985.db2.gz KKZZKZYJTKNWOP-FRRDWIJNSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@](C[NH3+])(NCCC[NH+]1CCCCC1)C1CC1 ZINC000420295568 192203022 /nfs/dbraw/zinc/20/30/22/192203022.db2.gz VOKVNAMUAVOCNF-AWEZNQCLSA-N 2 0 239.407 1.579 20 0 BDADRP CC(C)CO[C@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420313297 192213365 /nfs/dbraw/zinc/21/33/65/192213365.db2.gz XXCCETYGHHZHRA-KBPBESRZSA-N 2 0 240.391 1.733 20 0 BDADRP CC(C)CO[C@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420313299 192213425 /nfs/dbraw/zinc/21/34/25/192213425.db2.gz XXCCETYGHHZHRA-KGLIPLIRSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H]1CN(CCC[NH+]2CCCCC2)[C@@H](C)C[NH2+]1 ZINC000420338742 192216631 /nfs/dbraw/zinc/21/66/31/192216631.db2.gz OTGQVRNIQHPZJM-KBPBESRZSA-N 2 0 239.407 1.545 20 0 BDADRP CC(C)OCC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420340606 192216822 /nfs/dbraw/zinc/21/68/22/192216822.db2.gz MVURAPPUBVWRMQ-KGLIPLIRSA-N 2 0 240.391 1.733 20 0 BDADRP C[N@H+](CCCC1CCCC1)C[C@@H](O)C[NH3+] ZINC000420349889 192217967 /nfs/dbraw/zinc/21/79/67/192217967.db2.gz FASDOHMFSVCHHX-LBPRGKRZSA-N 2 0 214.353 1.208 20 0 BDADRP COc1cccc([C@H](C)[N@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000420350064 192218433 /nfs/dbraw/zinc/21/84/33/192218433.db2.gz FQWUQBBVLURMRK-JQWIXIFHSA-N 2 0 238.331 1.008 20 0 BDADRP CC[C@]1(C)CCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000420304417 192208961 /nfs/dbraw/zinc/20/89/61/192208961.db2.gz OLKXPNORCJEGGY-CQSZACIVSA-N 2 0 239.407 1.404 20 0 BDADRP c1c[nH]c([C@H]2CCC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)n1 ZINC000420311980 192209922 /nfs/dbraw/zinc/20/99/22/192209922.db2.gz HKENCBHXMRQWRC-OLZOCXBDSA-N 2 0 248.374 1.589 20 0 BDADRP CCOC(=O)CC[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000420309425 192211171 /nfs/dbraw/zinc/21/11/71/192211171.db2.gz LKJXFYDFEIJAPC-NSHDSACASA-N 2 0 228.336 1.014 20 0 BDADRP CC(C)[C@@](C)(C[NH3+])NCCC[NH+]1CCCCC1 ZINC000420317081 192212417 /nfs/dbraw/zinc/21/24/17/192212417.db2.gz MZJRBHCBFJSTSE-CQSZACIVSA-N 2 0 241.423 1.825 20 0 BDADRP COC[C@H]1CCCC[N@H+](C[C@@H](C)N)C1 ZINC000420368302 192225895 /nfs/dbraw/zinc/22/58/95/192225895.db2.gz HZRANFRFSVIBJV-MNOVXSKESA-N 2 0 200.326 1.082 20 0 BDADRP [NH3+]CCC[NH+]1CCC(Oc2ccccn2)CC1 ZINC000420321422 192227043 /nfs/dbraw/zinc/22/70/43/192227043.db2.gz RGIGKMDDAYTSHW-UHFFFAOYSA-N 2 0 235.331 1.274 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](CCCc2ccncc2)C1 ZINC000420321444 192227338 /nfs/dbraw/zinc/22/73/38/192227338.db2.gz VEBUIDVIILBPFB-CQSZACIVSA-N 2 0 233.359 1.685 20 0 BDADRP COC(=O)[C@@H](C)C[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420371107 192227852 /nfs/dbraw/zinc/22/78/52/192227852.db2.gz ZMJZBMRIZOIJJV-RYUDHWBXSA-N 2 0 242.363 1.117 20 0 BDADRP CCOC(=O)[C@@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000420329141 192229925 /nfs/dbraw/zinc/22/99/25/192229925.db2.gz GJWOBMKSXVTNRU-LLVKDONJSA-N 2 0 240.347 1.014 20 0 BDADRP CC[C@H](c1ccccc1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420357690 192219086 /nfs/dbraw/zinc/21/90/86/192219086.db2.gz SLLCRVMFVPKMCD-QWHCGFSZSA-N 2 0 222.332 1.389 20 0 BDADRP CCC[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000420355724 192220029 /nfs/dbraw/zinc/22/00/29/192220029.db2.gz FQQUDZPKYAMPKE-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP CC(C)OC(=O)CC[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000420360318 192221906 /nfs/dbraw/zinc/22/19/06/192221906.db2.gz LBBCJEUPSMFCRM-NSHDSACASA-N 2 0 242.363 1.306 20 0 BDADRP CC[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420359378 192222693 /nfs/dbraw/zinc/22/26/93/192222693.db2.gz VUNPQNIZZWRGDX-OLZOCXBDSA-N 2 0 240.322 1.528 20 0 BDADRP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C[C@@H](C)[NH3+])CC2 ZINC000420361633 192222766 /nfs/dbraw/zinc/22/27/66/192222766.db2.gz NNLPOXNBEMWPNA-UPJWGTAASA-N 2 0 225.380 1.281 20 0 BDADRP Cc1ccc([C@@H](C)[NH2+]CCOCC[NH3+])cc1C ZINC000420365431 192223250 /nfs/dbraw/zinc/22/32/50/192223250.db2.gz DVTKEECRZJVIPX-CYBMUJFWSA-N 2 0 236.359 1.929 20 0 BDADRP Cc1cccc([C@H]2CCC[N@@H+]2CCC[NH3+])n1 ZINC000580408877 358502461 /nfs/dbraw/zinc/50/24/61/358502461.db2.gz DNPVEUSEDOQGRC-CYBMUJFWSA-N 2 0 219.332 1.876 20 0 BDADRP CCCC[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420386929 192235130 /nfs/dbraw/zinc/23/51/30/192235130.db2.gz VICRWEVPYJQCKY-GFCCVEGCSA-N 2 0 237.351 1.174 20 0 BDADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCCF)CC1 ZINC000420388576 192235317 /nfs/dbraw/zinc/23/53/17/192235317.db2.gz XCVLYZXWGUNUAO-OLZOCXBDSA-N 2 0 244.354 1.564 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000420413211 192240246 /nfs/dbraw/zinc/24/02/46/192240246.db2.gz SUWUCASPQRCLGQ-MCIONIFRSA-N 2 0 239.407 1.293 20 0 BDADRP c1c[nH]c([C@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)n1 ZINC000420376707 192231312 /nfs/dbraw/zinc/23/13/12/192231312.db2.gz QZEZZNFWDSGFKE-NWDGAFQWSA-N 2 0 234.347 1.546 20 0 BDADRP COC[C@@H]1CCCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420377561 192233481 /nfs/dbraw/zinc/23/34/81/192233481.db2.gz SNHMBRHWTRQRQO-UONOGXRCSA-N 2 0 240.391 1.735 20 0 BDADRP c1c[nH]c([C@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)n1 ZINC000420378402 192233962 /nfs/dbraw/zinc/23/39/62/192233962.db2.gz UBWANCZCPXKLTB-CHWSQXEVSA-N 2 0 248.374 1.936 20 0 BDADRP CC(C)[C@](C)(O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192857480 356465001 /nfs/dbraw/zinc/46/50/01/356465001.db2.gz AXQYLDDBVQWUAS-WTUNAVPPSA-N 2 0 240.391 1.608 20 0 BDADRP CC[N@H+](CCC[NH+]1CCCCC1)C[C@H](C)O ZINC000352220011 134108834 /nfs/dbraw/zinc/10/88/34/134108834.db2.gz GGZSCDVHKHFAHF-ZDUSSCGKSA-N 2 0 228.380 1.565 20 0 BDADRP C[N@H+](CC[C@H]1CCC[NH+]1C)[C@H]1CCCOC1 ZINC000352219649 134109079 /nfs/dbraw/zinc/10/90/79/134109079.db2.gz DYPNYUYURQFXKW-OLZOCXBDSA-N 2 0 226.364 1.582 20 0 BDADRP CC[NH+](CC)CCNC(=O)C1([NH3+])CCCCC1 ZINC000019504354 356483872 /nfs/dbraw/zinc/48/38/72/356483872.db2.gz VAAQVENVSQKBPS-UHFFFAOYSA-N 2 0 241.379 1.106 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000639614038 356532262 /nfs/dbraw/zinc/53/22/62/356532262.db2.gz WVECLRMKZJGYMM-MJBXVCDLSA-N 2 0 240.391 1.828 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2C[C@@H](O)C2)[C@H](C)C1 ZINC000420927997 192286975 /nfs/dbraw/zinc/28/69/75/192286975.db2.gz AZEKRIYJDHKEJT-MQYQWHSLSA-N 2 0 240.391 1.419 20 0 BDADRP CO[C@H]1CC[N@H+](CCc2cncn2C)C[C@@H]1C ZINC000639663565 356577418 /nfs/dbraw/zinc/57/74/18/356577418.db2.gz PRAIOJIRXZRCNN-AAEUAGOBSA-N 2 0 237.347 1.319 20 0 BDADRP CC[C@@H](C[NH2+][C@H](C)CCCC[NH3+])N1CCCC1 ZINC000422962878 192527143 /nfs/dbraw/zinc/52/71/43/192527143.db2.gz GXVGATFUECMVFM-KGLIPLIRSA-N 2 0 241.423 1.968 20 0 BDADRP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1cn[nH]c1 ZINC000423014835 192540583 /nfs/dbraw/zinc/54/05/83/192540583.db2.gz PSRONODAOBITDH-BMQDGWLCSA-N 2 0 222.336 1.578 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C)c1cncc(F)c1 ZINC000423037973 192547295 /nfs/dbraw/zinc/54/72/95/192547295.db2.gz XGKMCGIFOZRQHL-AEJSXWLSSA-N 2 0 225.311 1.997 20 0 BDADRP COC[C@H](C)C[NH+]1CCC([NH+](C)C)CC1 ZINC000189696631 538464670 /nfs/dbraw/zinc/46/46/70/538464670.db2.gz PRWHAZLYXQFEJV-LLVKDONJSA-N 2 0 214.353 1.295 20 0 BDADRP CC(C)[C@H]([NH2+]C1CCC(C[NH3+])CC1)C(C)(C)O ZINC000423078909 192560492 /nfs/dbraw/zinc/56/04/92/192560492.db2.gz PPNSFNOOCWMWBY-BPCQOVAHSA-N 2 0 242.407 1.889 20 0 BDADRP C[NH+]1CCC2(CC[N@H+](Cc3ncccn3)C2)CC1 ZINC000639756621 356662139 /nfs/dbraw/zinc/66/21/39/356662139.db2.gz ZFURGHBTFGRJRK-UHFFFAOYSA-N 2 0 246.358 1.394 20 0 BDADRP C[NH+]1CCC2(CC[N@H+](CCCCO)C2)CC1 ZINC000639756979 356663838 /nfs/dbraw/zinc/66/38/38/356663838.db2.gz BMHPRXIHLMKBNK-UHFFFAOYSA-N 2 0 226.364 1.177 20 0 BDADRP C[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)C1CC[NH+](C)CC1 ZINC000228855354 491099919 /nfs/dbraw/zinc/09/99/19/491099919.db2.gz AMUXGMLPQMVXDL-WCFLWFBJSA-N 2 0 240.391 1.466 20 0 BDADRP C(C1CCCCC1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000088287859 356655594 /nfs/dbraw/zinc/65/55/94/356655594.db2.gz CKKJXRJZHJWMFU-CHWSQXEVSA-N 2 0 208.349 1.718 20 0 BDADRP CC[C@H](O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639754664 356657049 /nfs/dbraw/zinc/65/70/49/356657049.db2.gz DGWJVXOTIJFQEY-LBPRGKRZSA-N 2 0 226.364 1.175 20 0 BDADRP Clc1cccc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000088287559 356657182 /nfs/dbraw/zinc/65/71/82/356657182.db2.gz BWXWOTWPTUWXIY-RYUDHWBXSA-N 2 0 236.746 1.991 20 0 BDADRP CC[C@H](C[NH2+]C1CCC(C[NH3+])CC1)OC ZINC000423137975 192583484 /nfs/dbraw/zinc/58/34/84/192583484.db2.gz IMPZIEKREVQLQF-HTAVTVPLSA-N 2 0 214.353 1.519 20 0 BDADRP CC[C@H](CCO)[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000168121626 134156121 /nfs/dbraw/zinc/15/61/21/134156121.db2.gz ASUCNIZRSZTFMQ-YNEHKIRRSA-N 2 0 228.380 1.467 20 0 BDADRP CC(C)=CCC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761531 356677407 /nfs/dbraw/zinc/67/74/07/356677407.db2.gz GELUBXGINJVSRD-AWEZNQCLSA-N 2 0 240.391 1.731 20 0 BDADRP CC[C@@H]([NH2+]C1CCC(C[NH3+])CC1)C(C)(C)O ZINC000423138965 192583318 /nfs/dbraw/zinc/58/33/18/192583318.db2.gz UQNLSEXCCJIOCB-HTAVTVPLSA-N 2 0 228.380 1.643 20 0 BDADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)[C@@H]1C[C@H]1C ZINC000321140186 259469401 /nfs/dbraw/zinc/46/94/01/259469401.db2.gz VCZYUSSGCRETCA-MGPQQGTHSA-N 2 0 239.407 1.258 20 0 BDADRP C[NH+](C)C[C@]1(O)CCC[N@H+](CCCCCF)C1 ZINC000639769381 356708607 /nfs/dbraw/zinc/70/86/07/356708607.db2.gz YEZJJRWSHVZPKB-CYBMUJFWSA-N 2 0 246.370 1.515 20 0 BDADRP CCOCCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623335650 356722259 /nfs/dbraw/zinc/72/22/59/356722259.db2.gz WYAHGMJBAQCEHT-GFCCVEGCSA-N 2 0 228.380 1.875 20 0 BDADRP CCC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000450462519 202173509 /nfs/dbraw/zinc/17/35/09/202173509.db2.gz HAVIEJWDPDRLDE-ZIAGYGMSSA-N 2 0 242.407 1.811 20 0 BDADRP CCc1cc(N2CC[NH+](C[C@@H](C)O)CC2)cc[nH+]1 ZINC000450471933 202177600 /nfs/dbraw/zinc/17/76/00/202177600.db2.gz WTWWEEIWKSBIRV-GFCCVEGCSA-N 2 0 249.358 1.147 20 0 BDADRP CC(C)NC(=O)[C@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423175511 192609627 /nfs/dbraw/zinc/60/96/27/192609627.db2.gz DSXVLXIPZWMHOD-UNXYVOJBSA-N 2 0 241.379 1.007 20 0 BDADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]([NH3+])CC(C)C ZINC000041680146 358513177 /nfs/dbraw/zinc/51/31/77/358513177.db2.gz VGWQSBKWXQLPJD-RYUDHWBXSA-N 2 0 243.395 1.206 20 0 BDADRP CCC1CC([NH2+]CCCN2CC[NH2+]CC2)C1 ZINC000423192003 192618217 /nfs/dbraw/zinc/61/82/17/192618217.db2.gz UZEFJDZSODCDLC-UHFFFAOYSA-N 2 0 225.380 1.060 20 0 BDADRP C[NH+]1CCC(NCCC[NH+]2CCCCC2)CC1 ZINC000020128712 356998743 /nfs/dbraw/zinc/99/87/43/356998743.db2.gz NSJLMALXWWCSGT-UHFFFAOYSA-N 2 0 239.407 1.546 20 0 BDADRP Cc1cccc([C@@H](C)[NH2+]CCN2CC[NH2+]CC2)c1 ZINC000423203756 192625798 /nfs/dbraw/zinc/62/57/98/192625798.db2.gz NHBKIWRYBPNTPK-CQSZACIVSA-N 2 0 247.386 1.551 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000168568121 357028228 /nfs/dbraw/zinc/02/82/28/357028228.db2.gz HFNDQTUVSPPCSD-TUAOUCFPSA-N 2 0 212.337 1.225 20 0 BDADRP CO[C@H](C)CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623396478 357020879 /nfs/dbraw/zinc/02/08/79/357020879.db2.gz TWVNGFFVWZHKAS-VXGBXAGGSA-N 2 0 228.380 1.874 20 0 BDADRP CCCC[N@H+](C[C@@H](O)CN(C)CC)C1CC1 ZINC000390652651 357109233 /nfs/dbraw/zinc/10/92/33/357109233.db2.gz NWPYUKUCHHHWRZ-ZDUSSCGKSA-N 2 0 228.380 1.564 20 0 BDADRP C[C@H](O)[C@H](C)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000582415379 357140432 /nfs/dbraw/zinc/14/04/32/357140432.db2.gz QYLQADXWPTUIMS-RYUDHWBXSA-N 2 0 236.359 1.607 20 0 BDADRP COCCC[C@H](C)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423258882 192656664 /nfs/dbraw/zinc/65/66/64/192656664.db2.gz MYPVTQGCBGARSL-STQMWFEESA-N 2 0 228.380 1.781 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@H](C)C[C@H](C)[NH3+] ZINC000665283034 491107849 /nfs/dbraw/zinc/10/78/49/491107849.db2.gz GLDNGFHPKLHVFB-HBNTYKKESA-N 2 0 201.358 1.075 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCCc2nccs2)C1 ZINC000391185256 357125747 /nfs/dbraw/zinc/12/57/47/357125747.db2.gz VWDWVHPODIWASR-WDEREUQCSA-N 2 0 239.388 1.935 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H]2CCCC[C@@H]2O)C1 ZINC000393337400 357281304 /nfs/dbraw/zinc/28/13/04/357281304.db2.gz UIRILFSMGCTAND-IHRRRGAJSA-N 2 0 240.391 1.469 20 0 BDADRP COCCCCC[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000393774298 357298635 /nfs/dbraw/zinc/29/86/35/357298635.db2.gz WJQOGFCUNCMYQY-GFCCVEGCSA-N 2 0 214.353 1.474 20 0 BDADRP C[C@@H]1C[C@H]1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000628425449 357252899 /nfs/dbraw/zinc/25/28/99/357252899.db2.gz LIKXJDGTMGZRIH-UPJWGTAASA-N 2 0 210.365 1.964 20 0 BDADRP CC(C)(CO)CCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000393434835 357309067 /nfs/dbraw/zinc/30/90/67/357309067.db2.gz WLXZWDSRDQKEQU-VXGBXAGGSA-N 2 0 228.380 1.645 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCC1(CO)CC1 ZINC000582719678 357370989 /nfs/dbraw/zinc/37/09/89/357370989.db2.gz BXMZKBAOAWZOJX-NWDGAFQWSA-N 2 0 226.364 1.399 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](CO)CC2CCC2)C1 ZINC000583153856 357496980 /nfs/dbraw/zinc/49/69/80/357496980.db2.gz SQSAKUXICIQVAE-FRRDWIJNSA-N 2 0 226.364 1.397 20 0 BDADRP Cc1nccnc1CC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000583078293 357473747 /nfs/dbraw/zinc/47/37/47/357473747.db2.gz LGZJFPHNNBXXMF-OCCSQVGLSA-N 2 0 248.374 1.435 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H]2COC(C)(C)C2)CC1 ZINC000396844377 357485451 /nfs/dbraw/zinc/48/54/51/357485451.db2.gz HPPAKKSRHADVMV-ZDUSSCGKSA-N 2 0 240.391 1.875 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H]2COC(C)(C)C2)CC1 ZINC000396844376 357485871 /nfs/dbraw/zinc/48/58/71/357485871.db2.gz HPPAKKSRHADVMV-CYBMUJFWSA-N 2 0 240.391 1.875 20 0 BDADRP CCN(CCC[NH+](C)C)C(=O)[C@H]([NH3+])CC(C)C ZINC000230710421 357572707 /nfs/dbraw/zinc/57/27/07/357572707.db2.gz GIGQPZYAJALQDT-GFCCVEGCSA-N 2 0 243.395 1.160 20 0 BDADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N(CC)CCC[NH+](C)C ZINC000230710437 357572843 /nfs/dbraw/zinc/57/28/43/357572843.db2.gz XYVVRGHMYHXDJC-NEPJUHHUSA-N 2 0 243.395 1.160 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCOC2)CC[N@@H+]1C ZINC000230410480 357539930 /nfs/dbraw/zinc/53/99/30/357539930.db2.gz CQDAVWVYTDAKPF-JHJVBQTASA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccoc1 ZINC000397624199 357616803 /nfs/dbraw/zinc/61/68/03/357616803.db2.gz XGOVGAZHYYMBHM-NSHDSACASA-N 2 0 238.331 1.387 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH+]2C)C[C@H]1CO ZINC000190864250 357728125 /nfs/dbraw/zinc/72/81/25/357728125.db2.gz MKNWXNBSLNWIGJ-FRRDWIJNSA-N 2 0 226.364 1.031 20 0 BDADRP CC[NH+](CC)CCC[N@H+](CC)CC(C)(C)O ZINC000190568492 357715393 /nfs/dbraw/zinc/71/53/93/357715393.db2.gz YFVUCIAQNDHDML-UHFFFAOYSA-N 2 0 230.396 1.811 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCC2(O)CCC2)C1 ZINC000397765914 357681960 /nfs/dbraw/zinc/68/19/60/357681960.db2.gz YWTCXTCBDUEEAI-MNOVXSKESA-N 2 0 212.337 1.151 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)C1(C)C ZINC000233766844 357745276 /nfs/dbraw/zinc/74/52/76/357745276.db2.gz MIILQXHYHDTKML-GRYCIOLGSA-N 2 0 228.380 1.763 20 0 BDADRP CN(CC[NH2+]C1CCC(O)CC1)C1CCCC1 ZINC000234290306 357780051 /nfs/dbraw/zinc/78/00/51/357780051.db2.gz SOJOLUZBVVQDRR-UHFFFAOYSA-N 2 0 240.391 1.754 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(F)cc1 ZINC000234730495 357833483 /nfs/dbraw/zinc/83/34/83/357833483.db2.gz PLWUPPMRAYXNSZ-CYBMUJFWSA-N 2 0 240.322 1.669 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCC1(C)C ZINC000234744026 357834883 /nfs/dbraw/zinc/83/48/83/357834883.db2.gz QJAHIPPJKHTVBW-VXGBXAGGSA-N 2 0 228.380 1.909 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CC1(CO)CCCC1 ZINC000168573222 134226998 /nfs/dbraw/zinc/22/69/98/134226998.db2.gz KUHWQPBHAIGDHY-NEPJUHHUSA-N 2 0 226.364 1.256 20 0 BDADRP CN1CCC[C@H]1C[N@H+](C)CC1CC[NH2+]CC1 ZINC000086188779 357872615 /nfs/dbraw/zinc/87/26/15/357872615.db2.gz QAXLCMWWHXZUGT-ZDUSSCGKSA-N 2 0 225.380 1.012 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCCOC(F)F)C1 ZINC000398272080 357882139 /nfs/dbraw/zinc/88/21/39/357882139.db2.gz VJRVCRWPRTYCBB-IUCAKERBSA-N 2 0 222.279 1.475 20 0 BDADRP C[C@H](C[NH3+])CNC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000584468901 357988198 /nfs/dbraw/zinc/98/81/98/357988198.db2.gz YDDXLKOCKSVFKC-ZJUUUORDSA-N 2 0 235.331 1.031 20 0 BDADRP Cc1nn(C)cc1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000168681522 134241689 /nfs/dbraw/zinc/24/16/89/134241689.db2.gz YFFBARRGKHVFLG-AAEUAGOBSA-N 2 0 236.363 1.336 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)C2CC2)CC1(C)C ZINC000623418116 358062140 /nfs/dbraw/zinc/06/21/40/358062140.db2.gz CGWKSIWNBXSCLN-NEPJUHHUSA-N 2 0 226.364 1.220 20 0 BDADRP Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])nc1 ZINC000583871871 358080369 /nfs/dbraw/zinc/08/03/69/358080369.db2.gz GJXUEOKUECWIPR-MNOVXSKESA-N 2 0 207.321 1.605 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](CO)C2)[C@@H](C)C1 ZINC000631669178 358183246 /nfs/dbraw/zinc/18/32/46/358183246.db2.gz HIPINKUMHUPDSN-RVMXOQNASA-N 2 0 226.364 1.077 20 0 BDADRP CC[NH2+]CCCN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000584714658 358159812 /nfs/dbraw/zinc/15/98/12/358159812.db2.gz XCEHXZVMIWRQDO-NWDGAFQWSA-N 2 0 213.369 1.058 20 0 BDADRP C[C@H](O)CCC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000450646199 202221760 /nfs/dbraw/zinc/22/17/60/202221760.db2.gz QUHLDWSUFMFSGE-ZDUSSCGKSA-N 2 0 240.391 1.708 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[C@@H](O)C2)C1 ZINC000227597086 358360197 /nfs/dbraw/zinc/36/01/97/358360197.db2.gz QZTKOVMFJQZVJE-FVCCEPFGSA-N 2 0 226.364 1.397 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H]2CCSC2)CC1 ZINC000044517360 358388478 /nfs/dbraw/zinc/38/84/78/358388478.db2.gz SRBZVUBMPOOLPU-LBPRGKRZSA-N 2 0 228.405 1.813 20 0 BDADRP CC(C)CCOCC[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000045107843 358401598 /nfs/dbraw/zinc/40/15/98/358401598.db2.gz KXKMGNGGPUYMPE-QWHCGFSZSA-N 2 0 228.380 1.861 20 0 BDADRP Cc1ccc(CC[N@@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000211429658 358447387 /nfs/dbraw/zinc/44/73/87/358447387.db2.gz OTQBYCYGCXSYOG-AWEZNQCLSA-N 2 0 218.344 1.818 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCOC[C@H]1C)C1CC[NH+](C)CC1 ZINC000302023729 491133152 /nfs/dbraw/zinc/13/31/52/491133152.db2.gz GKXQALLKJDKHSC-YRGRVCCFSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@H](CO)[C@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623427467 358436199 /nfs/dbraw/zinc/43/61/99/358436199.db2.gz AQOSHCUVERMWRB-WOPDTQHZSA-N 2 0 228.380 1.466 20 0 BDADRP COCC[N@H+](C)CCC[NH2+]C1CCCCC1 ZINC000047892486 358604949 /nfs/dbraw/zinc/60/49/49/358604949.db2.gz JTLRTISXQUBRFZ-UHFFFAOYSA-N 2 0 228.380 1.877 20 0 BDADRP C1C[C@@H]2C[C@@H]([NH2+][C@@H]3CCCOC3)CC[N@@H+]2C1 ZINC000130215004 358615018 /nfs/dbraw/zinc/61/50/18/358615018.db2.gz VPEYVKXRBBRSTR-YNEHKIRRSA-N 2 0 224.348 1.382 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@](C)(O)C(C)C)CC1 ZINC000130949008 358654569 /nfs/dbraw/zinc/65/45/69/358654569.db2.gz NJEGIMUSCDXYBD-AWEZNQCLSA-N 2 0 242.407 1.857 20 0 BDADRP C[NH+](C)CCCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000131909754 358700427 /nfs/dbraw/zinc/70/04/27/358700427.db2.gz FOSGYWVIFHAFOA-UONOGXRCSA-N 2 0 233.359 1.673 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H](C)[C@H](C)OC)CC1 ZINC000132243340 358714171 /nfs/dbraw/zinc/71/41/71/358714171.db2.gz KIRKVSSGXONOHF-RYUDHWBXSA-N 2 0 228.380 1.874 20 0 BDADRP CCCC[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000050888399 358738274 /nfs/dbraw/zinc/73/82/74/358738274.db2.gz UEGQJLQBEKHZJM-CHWSQXEVSA-N 2 0 228.380 1.611 20 0 BDADRP C[N@H+](C[C@H]1CCCCO1)C[C@@]1(C)CC[NH2+]C1 ZINC000219860207 134292211 /nfs/dbraw/zinc/29/22/11/134292211.db2.gz MFEHWYIUWSNTSR-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134884687 358810372 /nfs/dbraw/zinc/81/03/72/358810372.db2.gz MBTYGOTXDJKUMA-YPMHNXCESA-N 2 0 208.349 1.955 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000133960160 358774447 /nfs/dbraw/zinc/77/44/47/358774447.db2.gz PTUHJZRPYXOAMY-STQMWFEESA-N 2 0 226.364 1.629 20 0 BDADRP CCC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000134360114 358787934 /nfs/dbraw/zinc/78/79/34/358787934.db2.gz JSWWDOPBEFBJRN-RFQIPJPRSA-N 2 0 240.391 1.658 20 0 BDADRP COc1cc(C[NH2+][C@H](C)CC[NH3+])cc(OC)c1 ZINC000136136597 358865059 /nfs/dbraw/zinc/86/50/59/358865059.db2.gz IZYWQAXJLJUPEF-SNVBAGLBSA-N 2 0 238.331 1.531 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000223527649 491136998 /nfs/dbraw/zinc/13/69/98/491136998.db2.gz UAAWHMNMUSWJBC-OCCSQVGLSA-N 2 0 242.407 1.857 20 0 BDADRP CC(C)[N@H+](C)CCN[C@H]1C[C@H](C)[NH+](C)C[C@H]1C ZINC000054111219 358853452 /nfs/dbraw/zinc/85/34/52/358853452.db2.gz IXZLIABVPNXCAQ-RDBSUJKOSA-N 2 0 241.423 1.645 20 0 BDADRP CC(C)OCCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000086402470 358966879 /nfs/dbraw/zinc/96/68/79/358966879.db2.gz NIWHVBPBRHKTPM-NWDGAFQWSA-N 2 0 214.353 1.661 20 0 BDADRP CC[NH+]1CCC(N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000086403438 358967540 /nfs/dbraw/zinc/96/75/40/358967540.db2.gz KFHRKPBVUXIHDM-DGCLKSJQSA-N 2 0 225.380 1.330 20 0 BDADRP C[C@H](C[NH2+]CC(C)(C)C)CN1CC[NH+](C)CC1 ZINC000105439044 358942566 /nfs/dbraw/zinc/94/25/66/358942566.db2.gz ABYHXEYYAOUGAG-CYBMUJFWSA-N 2 0 241.423 1.506 20 0 BDADRP CCC[NH2+]CCN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423310228 192697385 /nfs/dbraw/zinc/69/73/85/192697385.db2.gz NEBNVNHBPWXENN-RYUDHWBXSA-N 2 0 213.369 1.106 20 0 BDADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1nccn1C ZINC000070008188 359038012 /nfs/dbraw/zinc/03/80/12/359038012.db2.gz FVIZGLXXNGCODU-LLVKDONJSA-N 2 0 224.352 1.413 20 0 BDADRP C[NH+](C)CCC[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000247007209 359182428 /nfs/dbraw/zinc/18/24/28/359182428.db2.gz TTYRODJTALHHOS-JHJVBQTASA-N 2 0 240.391 1.731 20 0 BDADRP CSCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000248002166 359251332 /nfs/dbraw/zinc/25/13/32/359251332.db2.gz KNHOPYAVEAHOOQ-VXGBXAGGSA-N 2 0 228.405 1.766 20 0 BDADRP COCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000248177356 359257939 /nfs/dbraw/zinc/25/79/39/359257939.db2.gz VVVOQGMOJMVPQU-VXGBXAGGSA-N 2 0 212.337 1.049 20 0 BDADRP CC[C@H]([NH2+]CC1(COC)CC[NH2+]CC1)C1CC1 ZINC000423411657 192748041 /nfs/dbraw/zinc/74/80/41/192748041.db2.gz VADVFWPRQWXQSE-ZDUSSCGKSA-N 2 0 240.391 1.781 20 0 BDADRP FCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423422394 192751013 /nfs/dbraw/zinc/75/10/13/192751013.db2.gz CQFXFGTVBDAXGZ-PREPNJAASA-N 2 0 212.312 1.322 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@H]1C)C1CC[NH+](C)CC1 ZINC000132824651 491139770 /nfs/dbraw/zinc/13/97/70/491139770.db2.gz GIHUYNOZHIRVOZ-NTZNESFSSA-N 2 0 210.365 1.962 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C12CCC2 ZINC000423434040 192768143 /nfs/dbraw/zinc/76/81/43/192768143.db2.gz NRQXUAOXEBDKDJ-OBPIAQAESA-N 2 0 236.359 1.142 20 0 BDADRP COC[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)C(C)C ZINC000423485763 192791348 /nfs/dbraw/zinc/79/13/48/192791348.db2.gz RVUQILADDGYHOC-QWHCGFSZSA-N 2 0 228.380 1.779 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC2=CC[NH2+]CC2)[C@H](C)O1 ZINC000423534768 192806269 /nfs/dbraw/zinc/80/62/69/192806269.db2.gz AVXGDXLGSCDDBF-MDZLAQPJSA-N 2 0 224.348 1.452 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)[C@@H]1CCCO1 ZINC000423499647 192795199 /nfs/dbraw/zinc/79/51/99/192795199.db2.gz HWAUGPCUJLLTIW-QCNOEVLYSA-N 2 0 212.337 1.271 20 0 BDADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000423500186 192797285 /nfs/dbraw/zinc/79/72/85/192797285.db2.gz IHPFNIDBQWPBIQ-IXOXFDKPSA-N 2 0 208.349 1.892 20 0 BDADRP C[C@@H]1C[C@@H](C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)CC[NH2+]1 ZINC000379544419 359540350 /nfs/dbraw/zinc/54/03/50/359540350.db2.gz WMTDPAACGZENPX-XQHKEYJVSA-N 2 0 222.376 1.962 20 0 BDADRP Cc1cc(N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)cc[nH+]1 ZINC000450788922 202265585 /nfs/dbraw/zinc/26/55/85/202265585.db2.gz DYUURIIISSXBIU-BETUJISGSA-N 2 0 249.358 1.281 20 0 BDADRP Cc1cnccc1C[NH2+][C@H](C)CCCC[NH3+] ZINC000380791334 359654506 /nfs/dbraw/zinc/65/45/06/359654506.db2.gz FFDQCKCIDXXDFW-GFCCVEGCSA-N 2 0 221.348 1.997 20 0 BDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H](C[NH3+])C1CC1 ZINC000578422700 366563487 /nfs/dbraw/zinc/56/34/87/366563487.db2.gz SWCMNPMOBCAASY-MRVWCRGKSA-N 2 0 239.407 1.624 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)[C@@H]1CCOC1 ZINC000163288734 202351794 /nfs/dbraw/zinc/35/17/94/202351794.db2.gz HLBSECYRTHQGMQ-MJBXVCDLSA-N 2 0 240.391 1.733 20 0 BDADRP CCOC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401078626 259505194 /nfs/dbraw/zinc/50/51/94/259505194.db2.gz PVZVRUXLIBLJGU-ZDEQEGDKSA-N 2 0 226.364 1.389 20 0 BDADRP CC1(C[NH2+]CCN2CCCC2(C)C)COC1 ZINC000451289168 202397102 /nfs/dbraw/zinc/39/71/02/202397102.db2.gz WTLNPAMOTVVLNE-UHFFFAOYSA-N 2 0 226.364 1.487 20 0 BDADRP C[N@H+](CC[C@H]1CCC[NH+]1C)CC(C)(C)CO ZINC000451258923 202390516 /nfs/dbraw/zinc/39/05/16/202390516.db2.gz XCCRHEWLUQDAPM-GFCCVEGCSA-N 2 0 228.380 1.421 20 0 BDADRP COC[C@H](C)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000578726407 366632320 /nfs/dbraw/zinc/63/23/20/366632320.db2.gz KJHLZXXHRMRELD-IJLUTSLNSA-N 2 0 214.353 1.247 20 0 BDADRP COCCOCCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000089140598 359992967 /nfs/dbraw/zinc/99/29/67/359992967.db2.gz UDIOZNVQLZJIDW-OLZOCXBDSA-N 2 0 244.379 1.147 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000089150288 359994366 /nfs/dbraw/zinc/99/43/66/359994366.db2.gz ODBRJVSZRVNVBY-JQWIXIFHSA-N 2 0 248.326 1.632 20 0 BDADRP CC[C@H](C)C[NH2+]C[C@H](C)N1CC[NH+](CC)CC1 ZINC000093061756 360213646 /nfs/dbraw/zinc/21/36/46/360213646.db2.gz NGEAPSLNEFSHCA-KBPBESRZSA-N 2 0 241.423 1.648 20 0 BDADRP C[N@H+](CCC[NH+]1CCCC1)CC1CC[NH2+]CC1 ZINC000094024703 360294793 /nfs/dbraw/zinc/29/47/93/360294793.db2.gz LWYMMDPKWJPJQS-UHFFFAOYSA-N 3 0 239.407 1.404 20 0 BDADRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000430778174 192888938 /nfs/dbraw/zinc/88/89/38/192888938.db2.gz PCJVPRNVXWPGBN-WDEREUQCSA-N 2 0 243.395 1.062 20 0 BDADRP CSC1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000300829054 360524404 /nfs/dbraw/zinc/52/44/04/360524404.db2.gz JYJXQPKTNWDFCN-SNVBAGLBSA-N 2 0 214.378 1.423 20 0 BDADRP C[NH2+]CCC[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC000414862111 200772510 /nfs/dbraw/zinc/77/25/10/200772510.db2.gz USMYEEKDOXEWAM-AWEZNQCLSA-N 2 0 248.370 1.752 20 0 BDADRP Cc1cc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)nn1C ZINC000414850968 200769983 /nfs/dbraw/zinc/76/99/83/200769983.db2.gz ZWMADUDWZTVISM-LBPRGKRZSA-N 2 0 236.363 1.208 20 0 BDADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2cccc(O)c2)C1 ZINC000414994158 200788153 /nfs/dbraw/zinc/78/81/53/200788153.db2.gz LUJCRMKANSPYME-YPMHNXCESA-N 2 0 234.343 1.999 20 0 BDADRP CCCC[C@H](COC)[NH2+]C[C@@H](C)C[NH3+] ZINC000414882817 200774349 /nfs/dbraw/zinc/77/43/49/200774349.db2.gz UORRVYCWGRXHIY-WDEREUQCSA-N 2 0 202.342 1.376 20 0 BDADRP C[C@@H](O)CC[N@H+](C)CCC1CC[NH2+]CC1 ZINC000156409902 360980358 /nfs/dbraw/zinc/98/03/58/360980358.db2.gz BBQUGFNZTFFXDB-LLVKDONJSA-N 2 0 214.353 1.079 20 0 BDADRP CC(C)CC[C@@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629388876 361035868 /nfs/dbraw/zinc/03/58/68/361035868.db2.gz XIKRIXHLLPMCKA-GFCCVEGCSA-N 2 0 228.380 1.909 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000629387529 361038929 /nfs/dbraw/zinc/03/89/29/361038929.db2.gz FADUVFGJIRCESI-UVLXDEKHSA-N 2 0 237.391 1.342 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000629391980 361041421 /nfs/dbraw/zinc/04/14/21/361041421.db2.gz GVYYXXGXGYLJSQ-VXGBXAGGSA-N 2 0 214.353 1.391 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H]1CC[C@@H](C)C1 ZINC000629393230 361042433 /nfs/dbraw/zinc/04/24/33/361042433.db2.gz ZMLKUXFMAHINND-MNOVXSKESA-N 2 0 200.326 1.001 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1NC1CC[NH+](CC)CC1 ZINC000629391141 361045643 /nfs/dbraw/zinc/04/56/43/361045643.db2.gz WMEPDCZSXZTWJO-QWHCGFSZSA-N 2 0 225.380 1.201 20 0 BDADRP Cc1ccc(C[NH2+]CCOCCC[NH3+])cc1C ZINC000629398068 361047640 /nfs/dbraw/zinc/04/76/40/361047640.db2.gz LHBJUDPJNDSZRN-UHFFFAOYSA-N 2 0 236.359 1.758 20 0 BDADRP [NH3+]CCCOCC[NH2+]Cc1ccc(F)c(F)c1 ZINC000629398644 361048859 /nfs/dbraw/zinc/04/88/59/361048859.db2.gz WAUBSKWSQRPHTR-UHFFFAOYSA-N 2 0 244.285 1.420 20 0 BDADRP CCCC[C@H](C)[NH2+]CCOCCC[NH3+] ZINC000629398774 361049181 /nfs/dbraw/zinc/04/91/81/361049181.db2.gz YSZLOLBGQQMJPW-NSHDSACASA-N 2 0 202.342 1.520 20 0 BDADRP [NH3+]CCCOCC[NH2+]Cc1ccsc1 ZINC000629398158 361049383 /nfs/dbraw/zinc/04/93/83/361049383.db2.gz NSHVVVDWFBUDHK-UHFFFAOYSA-N 2 0 214.334 1.203 20 0 BDADRP C[C@@H](CC1CCC1)[NH2+]CCOCCC[NH3+] ZINC000629400397 361051785 /nfs/dbraw/zinc/05/17/85/361051785.db2.gz WDJFZXWQBDZHHE-NSHDSACASA-N 2 0 214.353 1.520 20 0 BDADRP CCCn1cc(CN[C@@H]2CC[C@H](C)[NH2+]C2)cn1 ZINC000629418406 361062989 /nfs/dbraw/zinc/06/29/89/361062989.db2.gz XWNLPZYEXOCKQT-WCQYABFASA-N 2 0 236.363 1.523 20 0 BDADRP [NH3+]C1(C[NH2+][C@H]2CC[C@@H]2C2CCC2)CCOCC1 ZINC000629521233 361117868 /nfs/dbraw/zinc/11/78/68/361117868.db2.gz OGSWEJJJOYIOFI-OLZOCXBDSA-N 2 0 238.375 1.663 20 0 BDADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+]CC2([NH3+])CCOCC2)C1 ZINC000629521442 361117956 /nfs/dbraw/zinc/11/79/56/361117956.db2.gz QKGOPJZHWVXFLS-FRRDWIJNSA-N 2 0 240.391 1.909 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)C[C@@H](C)[NH3+])c1 ZINC000424229649 200893441 /nfs/dbraw/zinc/89/34/41/200893441.db2.gz ZOWZCQICYLRHQJ-SECBINFHSA-N 2 0 221.304 1.130 20 0 BDADRP CCC[C@@H](C)CCCN1CCO[C@@H](C[NH3+])C1 ZINC000629519553 361119883 /nfs/dbraw/zinc/11/98/83/361119883.db2.gz UNUDWYMXXACBSN-OLZOCXBDSA-N 2 0 228.380 1.862 20 0 BDADRP FCC[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000629502182 361102254 /nfs/dbraw/zinc/10/22/54/361102254.db2.gz UXIZGNYLTKUXRX-GFCCVEGCSA-N 2 0 230.327 1.046 20 0 BDADRP C[NH2+]C[C@H]1CCCN(Cc2cccnc2N)C1 ZINC000629507956 361102428 /nfs/dbraw/zinc/10/24/28/361102428.db2.gz MAFVTHDSHUXFSB-LLVKDONJSA-N 2 0 234.347 1.095 20 0 BDADRP CCO[C@H](C[N@@H+]1CC[C@@H](C[NH2+]C)C1)C1CC1 ZINC000629509980 361104713 /nfs/dbraw/zinc/10/47/13/361104713.db2.gz DKTQBPIFSMCRTN-WCQYABFASA-N 2 0 226.364 1.343 20 0 BDADRP CCO[C@@H](C[N@@H+]1CC[C@@H](C[NH2+]C)C1)C1CC1 ZINC000629509976 361104937 /nfs/dbraw/zinc/10/49/37/361104937.db2.gz DKTQBPIFSMCRTN-AAEUAGOBSA-N 2 0 226.364 1.343 20 0 BDADRP CCO[C@H](C[NH+]1CCC(C[NH2+]C)CC1)C1CC1 ZINC000629510522 361109014 /nfs/dbraw/zinc/10/90/14/361109014.db2.gz GVFYICSNCBQDKY-CQSZACIVSA-N 2 0 240.391 1.733 20 0 BDADRP CCC[C@@H](C[NH2+][C@@H](C)C1C[NH2+]C1)OCC ZINC000629515372 361112265 /nfs/dbraw/zinc/11/22/65/361112265.db2.gz QMQARVYDDHMVED-JQWIXIFHSA-N 2 0 214.353 1.389 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)C1C[NH2+]C1 ZINC000629515092 361112393 /nfs/dbraw/zinc/11/23/93/361112393.db2.gz XKTJVWVUOJRDBV-NHYWBVRUSA-N 2 0 246.354 1.325 20 0 BDADRP C[C@H]1CCC[C@H](C)C1[NH2+]CC1([NH3+])CCOCC1 ZINC000629520527 361116487 /nfs/dbraw/zinc/11/64/87/361116487.db2.gz GYKLFZKXRBDCHN-RYUDHWBXSA-N 2 0 240.391 1.909 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCC[C@H]1CCOC ZINC000629528458 361137075 /nfs/dbraw/zinc/13/70/75/361137075.db2.gz ZPIQQDHNXRCKAF-XDQVBPFNSA-N 2 0 240.391 1.922 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H]1CCc2ccccc21 ZINC000629528514 361137127 /nfs/dbraw/zinc/13/71/27/361137127.db2.gz BCJFVIUPGYADJQ-AWEZNQCLSA-N 2 0 234.343 1.500 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[NH2+]CC[C@@H]1C ZINC000629528521 361137161 /nfs/dbraw/zinc/13/71/61/361137161.db2.gz BCTGALVLIKVMCP-ZDEQEGDKSA-N 2 0 225.380 1.105 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H](C)c1ccccc1C ZINC000629529304 361138318 /nfs/dbraw/zinc/13/83/18/361138318.db2.gz YRACVWBDEVFEEF-CYBMUJFWSA-N 2 0 236.359 1.882 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H](C)c1sccc1C ZINC000629529213 361138372 /nfs/dbraw/zinc/13/83/72/361138372.db2.gz VITHGYDJROKGLW-LLVKDONJSA-N 2 0 242.388 1.943 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H]1CCC12CCC2 ZINC000629530591 361144557 /nfs/dbraw/zinc/14/45/57/361144557.db2.gz KUPIMOHZUASNSB-NSHDSACASA-N 2 0 212.337 1.145 20 0 BDADRP CCO[C@H](C[N@@H+]1CC[C@](C)(C[NH3+])C1)C1CC1 ZINC000629530677 361145692 /nfs/dbraw/zinc/14/56/92/361145692.db2.gz NHXYJVDIIDJGRA-CHWSQXEVSA-N 2 0 226.364 1.472 20 0 BDADRP COc1cncc(CNCCC[NH+]2CCC2)c1C ZINC000631105617 361158307 /nfs/dbraw/zinc/15/83/07/361158307.db2.gz VRZXCRUHAHQKOC-UHFFFAOYSA-N 2 0 249.358 1.584 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000629525880 361126636 /nfs/dbraw/zinc/12/66/36/361126636.db2.gz FECOYQIYVAHWOS-ZDEQEGDKSA-N 2 0 225.380 1.199 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000629525879 361127047 /nfs/dbraw/zinc/12/70/47/361127047.db2.gz FECOYQIYVAHWOS-QNWHQSFQSA-N 2 0 225.380 1.199 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)C[C@H]2CCC[NH2+]2)c1 ZINC000428296035 201005780 /nfs/dbraw/zinc/00/57/80/201005780.db2.gz VETDUEMSKUTNES-GFCCVEGCSA-N 2 0 247.342 1.487 20 0 BDADRP CC[NH2+]CCCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000579225184 366728692 /nfs/dbraw/zinc/72/86/92/366728692.db2.gz TZSSQWRYOQYNPE-RYUDHWBXSA-N 2 0 213.369 1.236 20 0 BDADRP COCC1([NH2+]C2CCC(C[NH3+])CC2)CC1 ZINC000579225344 366738465 /nfs/dbraw/zinc/73/84/65/366738465.db2.gz AEINIXRNTHZAQS-UHFFFAOYSA-N 2 0 212.337 1.273 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CC1(F)F)C1C[NH2+]C1 ZINC000622043944 370675557 /nfs/dbraw/zinc/67/55/57/370675557.db2.gz PZKQEVWOYJKVJA-APPZFPTMSA-N 2 0 204.264 1.229 20 0 BDADRP CC[C@H]([NH2+]CC[C@H](C)[NH3+])[C@@H]1CCOC1 ZINC000622045338 370679768 /nfs/dbraw/zinc/67/97/68/370679768.db2.gz OAPWUWNMDFTJSG-AXFHLTTASA-N 2 0 200.326 1.128 20 0 BDADRP C[C@@H]([NH2+]CC[C@H](C)[NH3+])C1CCOCC1 ZINC000622045679 370679942 /nfs/dbraw/zinc/67/99/42/370679942.db2.gz NQAQZRPLRNQSPN-VHSXEESVSA-N 2 0 200.326 1.128 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@H](C)SC)CC1 ZINC000162341578 361346867 /nfs/dbraw/zinc/34/68/67/361346867.db2.gz VXIFBTGCAGPXQT-JTQLQIEISA-N 2 0 216.394 1.812 20 0 BDADRP CC[C@H](C(=O)N1CCC([NH3+])CC1)[NH+](CC)CC ZINC000428753104 201042050 /nfs/dbraw/zinc/04/20/50/201042050.db2.gz PIBCHGLJYKXCRX-GFCCVEGCSA-N 2 0 241.379 1.057 20 0 BDADRP [NH3+]C1(CN[C@@H]2CCC[NH2+]CC2)CCCCC1 ZINC000333160235 181331631 /nfs/dbraw/zinc/33/16/31/181331631.db2.gz NTWLWEAPJJXCKU-GFCCVEGCSA-N 2 0 225.380 1.380 20 0 BDADRP [NH3+]C1(CN[C@@H]2CC[NH2+]C2)C2CC3CC(C2)CC1C3 ZINC000333828271 181331662 /nfs/dbraw/zinc/33/16/62/181331662.db2.gz MBQUZZSIVKLSQF-DUTNFGBUSA-N 2 0 249.402 1.092 20 0 BDADRP Cc1noc(C)c1CC[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC000579353619 366767907 /nfs/dbraw/zinc/76/79/07/366767907.db2.gz GCMGXFRWCMGCEP-ZDUSSCGKSA-N 2 0 237.347 1.423 20 0 BDADRP C[C@H]([NH2+]CCOCCC[NH3+])c1ccoc1 ZINC000629535815 361410463 /nfs/dbraw/zinc/41/04/63/361410463.db2.gz FJVCUTVWOAIKBF-JTQLQIEISA-N 2 0 212.293 1.296 20 0 BDADRP C[C@@H]([NH3+])CC(=O)NCC[NH2+]C1CCCCCC1 ZINC000429552813 201114841 /nfs/dbraw/zinc/11/48/41/201114841.db2.gz BVJMIWGRXHHLIG-LLVKDONJSA-N 2 0 241.379 1.152 20 0 BDADRP CC[C@H]([NH2+]CCOCCC[NH3+])C1CCC1 ZINC000629540614 361415617 /nfs/dbraw/zinc/41/56/17/361415617.db2.gz VSJIKHNZMAQMDX-LBPRGKRZSA-N 2 0 214.353 1.520 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc[nH]c1=O ZINC000629544151 361413398 /nfs/dbraw/zinc/41/33/98/361413398.db2.gz HLHDULKZOKZTMP-DTWKUNHWSA-N 2 0 209.293 1.003 20 0 BDADRP CCC[N@H+](C)CC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000429629961 201123906 /nfs/dbraw/zinc/12/39/06/201123906.db2.gz WQJZZORTBMQVJI-GFCCVEGCSA-N 2 0 243.395 1.160 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CCC[C@H]2[NH3+])C[C@H]2C[C@H]2C1 ZINC000629540431 361414047 /nfs/dbraw/zinc/41/40/47/361414047.db2.gz UNWRZNLDGHYYFQ-MLGHIDQZSA-N 2 0 208.349 1.892 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])C[C@H]2C[C@H]2C1 ZINC000629540432 361414684 /nfs/dbraw/zinc/41/46/84/361414684.db2.gz UNWRZNLDGHYYFQ-OBPIAQAESA-N 2 0 208.349 1.892 20 0 BDADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccccc1F ZINC000629535216 361408559 /nfs/dbraw/zinc/40/85/59/361408559.db2.gz BYUDLJAFFAOHCK-LLVKDONJSA-N 2 0 240.322 1.842 20 0 BDADRP CCC[C@@H](C)CCC[NH+]1CCC(O)(C[NH3+])CC1 ZINC000629542894 361420546 /nfs/dbraw/zinc/42/05/46/361420546.db2.gz OIJCCWSTWMDOKT-CYBMUJFWSA-N 2 0 242.407 1.988 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000629545166 361425648 /nfs/dbraw/zinc/42/56/48/361425648.db2.gz CIFVHOQQARBKSH-WHOHXGKFSA-N 2 0 210.321 1.023 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000629547435 361430448 /nfs/dbraw/zinc/43/04/48/361430448.db2.gz JTXZTLGODVXXIV-CRWXNKLISA-N 2 0 238.375 1.661 20 0 BDADRP C1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)C[NH2+]1 ZINC000629553037 361438124 /nfs/dbraw/zinc/43/81/24/361438124.db2.gz HKCRTAXGVWBOMN-REWJHTLYSA-N 2 0 238.375 1.533 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCCC12CC2)C1C[NH2+]C1 ZINC000629554412 361440455 /nfs/dbraw/zinc/44/04/55/361440455.db2.gz IENGDTLYYZPPGT-CMPLNLGQSA-N 2 0 208.349 1.764 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000629549706 361442788 /nfs/dbraw/zinc/44/27/88/361442788.db2.gz UMQFGPBYKQPZPA-MQYQWHSLSA-N 2 0 238.375 1.804 20 0 BDADRP C[N@@H+]1CCC[C@H]1CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000629551809 361444080 /nfs/dbraw/zinc/44/40/80/361444080.db2.gz XSHMJWSYGFSMPP-GLQYFDAESA-N 2 0 245.370 1.815 20 0 BDADRP CCc1ccc([C@H](C)[NH2+]CCOCCC[NH3+])o1 ZINC000629542189 361417892 /nfs/dbraw/zinc/41/78/92/361417892.db2.gz WMHJOFMJHSGIOK-NSHDSACASA-N 2 0 240.347 1.858 20 0 BDADRP C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000430111935 201144989 /nfs/dbraw/zinc/14/49/89/201144989.db2.gz APMCJQUPOYXZTR-JHJVBQTASA-N 2 0 208.349 1.670 20 0 BDADRP Cc1ccc(F)cc1C[N@H+](C)CCOCC[NH3+] ZINC000629578605 361464766 /nfs/dbraw/zinc/46/47/66/361464766.db2.gz UBOARJOTIXYEKS-UHFFFAOYSA-N 2 0 240.322 1.541 20 0 BDADRP CC[C@@H](CC(F)F)C[N@H+](C)CCOCC[NH3+] ZINC000629581234 361471577 /nfs/dbraw/zinc/47/15/77/361471577.db2.gz SIQYRNDDBDBOQZ-JTQLQIEISA-N 2 0 238.322 1.575 20 0 BDADRP COCC[C@H](C)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585218 361474454 /nfs/dbraw/zinc/47/44/54/361474454.db2.gz NODJVGCPFNRYPL-RWMBFGLXSA-N 2 0 226.364 1.343 20 0 BDADRP CC[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629561332 361456244 /nfs/dbraw/zinc/45/62/44/361456244.db2.gz ILSWGWYMEDFHDR-HTQZYQBOSA-N 2 0 210.243 1.465 20 0 BDADRP CC[C@@H](C(=O)Nc1cc(C)cc(C[NH3+])c1)[NH+](C)C ZINC000629613508 361507575 /nfs/dbraw/zinc/50/75/75/361507575.db2.gz BOWSISUJJNRBQY-ZDUSSCGKSA-N 2 0 249.358 1.732 20 0 BDADRP CC(C)[C@H](C)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000151811009 201184606 /nfs/dbraw/zinc/18/46/06/201184606.db2.gz ZJGSYHQRXRQEHX-LBPRGKRZSA-N 2 0 228.380 1.325 20 0 BDADRP CC[C@@H]([NH2+]CCC[NH+](C)C)[C@@H]1CCOC1 ZINC000151948385 201187121 /nfs/dbraw/zinc/18/71/21/201187121.db2.gz AJPIRVXVIHYVEJ-VXGBXAGGSA-N 2 0 214.353 1.343 20 0 BDADRP CC(C)OCC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152397253 201198207 /nfs/dbraw/zinc/19/82/07/201198207.db2.gz USTGTXPBCKNWGD-ZDUSSCGKSA-N 2 0 228.380 1.685 20 0 BDADRP [NH3+][C@@H](CNCC1=Cc2ccccc2OC1)C1CC1 ZINC000629647727 361537779 /nfs/dbraw/zinc/53/77/79/361537779.db2.gz GPDGVGRJRJXZFH-AWEZNQCLSA-N 2 0 244.338 1.789 20 0 BDADRP Cn1ccc(CNC[C@@H]2CCCC[NH2+]2)c1 ZINC000629647731 361537928 /nfs/dbraw/zinc/53/79/28/361537928.db2.gz GRWIXSQDPTWGSC-LBPRGKRZSA-N 2 0 207.321 1.257 20 0 BDADRP CCC([NH3+])(CC)C[NH2+]CC1=CCCOC1 ZINC000629648122 361539847 /nfs/dbraw/zinc/53/98/47/361539847.db2.gz OXNJLNTZEXGGMQ-UHFFFAOYSA-N 2 0 212.337 1.440 20 0 BDADRP [NH3+]C1(C[NH2+]CC2=CCCOC2)CCCCCC1 ZINC000629648178 361541026 /nfs/dbraw/zinc/54/10/26/361541026.db2.gz QPHPWDOXVREFOR-UHFFFAOYSA-N 2 0 238.375 1.974 20 0 BDADRP Cn1ccc(C[NH2+]Cc2ccc(C[NH3+])cc2F)c1 ZINC000629649980 361545963 /nfs/dbraw/zinc/54/59/63/361545963.db2.gz MWEGRGCJRDTTJO-UHFFFAOYSA-N 2 0 247.317 1.913 20 0 BDADRP Cn1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000629652171 361549594 /nfs/dbraw/zinc/54/95/94/361549594.db2.gz XIPYMGUOWLAXEZ-LSDHHAIUSA-N 2 0 247.386 1.989 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1[NH2+]C[C@H]1CCSC1 ZINC000629671560 361591164 /nfs/dbraw/zinc/59/11/64/361591164.db2.gz AEBWOSGWSPOTNQ-IVZWLZJFSA-N 2 0 200.351 1.080 20 0 BDADRP C[C@H](C[NH2+]CCOCCC[NH3+])c1ccccc1 ZINC000629677681 361599640 /nfs/dbraw/zinc/59/96/40/361599640.db2.gz DFCHMHCKDMHIIW-CYBMUJFWSA-N 2 0 236.359 1.745 20 0 BDADRP C[C@H]([NH2+]CCOCCC[NH3+])C1CCC1 ZINC000629677697 361600913 /nfs/dbraw/zinc/60/09/13/361600913.db2.gz DMBFDIRRUZYIKC-JTQLQIEISA-N 2 0 200.326 1.130 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCOC2)CC[N@@H+]1C ZINC000153100428 201219643 /nfs/dbraw/zinc/21/96/43/201219643.db2.gz WRECUQSEKWUBPY-WOPDTQHZSA-N 2 0 212.337 1.095 20 0 BDADRP CCOCC[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000161908258 201241793 /nfs/dbraw/zinc/24/17/93/201241793.db2.gz NKUDENWXOTXFOW-VXGBXAGGSA-N 2 0 214.353 1.343 20 0 BDADRP CC[C@@H]([NH2+]CCC[N@H+](C)CCOC)C1CC1 ZINC000153790171 201250923 /nfs/dbraw/zinc/25/09/23/201250923.db2.gz CLRDALRXHOINON-CYBMUJFWSA-N 2 0 228.380 1.733 20 0 BDADRP CCN(C[C@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]CC1 ZINC000435395514 201268900 /nfs/dbraw/zinc/26/89/00/201268900.db2.gz TUTIHUOZBYKCQA-UONOGXRCSA-N 2 0 239.407 1.450 20 0 BDADRP C[NH2+]Cc1cccc(C2=CC[NH2+]CC2)c1 ZINC000629723272 361664749 /nfs/dbraw/zinc/66/47/49/361664749.db2.gz LVMKMTZZZYGKJZ-UHFFFAOYSA-N 2 0 202.301 1.783 20 0 BDADRP c1cc([C@H]2COCC[NH2+]2)ccc1C1=CC[NH2+]CC1 ZINC000629724068 361665666 /nfs/dbraw/zinc/66/56/66/361665666.db2.gz VKZNBEMNBRUMCA-OAHLLOKOSA-N 2 0 244.338 1.724 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@](C)(O)CC)[C@@H](C)C1 ZINC000154510849 201281052 /nfs/dbraw/zinc/28/10/52/201281052.db2.gz TUAWICSCQYWHFH-AVGNSLFASA-N 2 0 228.380 1.467 20 0 BDADRP C[NH2+]CCCN1CCC[C@@H](n2cc(C)cn2)C1 ZINC000435875137 201292074 /nfs/dbraw/zinc/29/20/74/201292074.db2.gz QLWBNDJQRTUTGV-CYBMUJFWSA-N 2 0 236.363 1.438 20 0 BDADRP C[NH2+]CCC[N@H+](C)[C@H](CCO)c1ccccc1 ZINC000435868941 201289633 /nfs/dbraw/zinc/28/96/33/201289633.db2.gz HOSQNVLZYGYDJR-CQSZACIVSA-N 2 0 236.359 1.651 20 0 BDADRP [NH3+]CCc1cccc(C2=CC[NH2+]CC2)c1 ZINC000629722574 361662592 /nfs/dbraw/zinc/66/25/92/361662592.db2.gz CHXUJMGYYMRJCR-UHFFFAOYSA-N 2 0 202.301 1.565 20 0 BDADRP C[NH2+]CCCN(CC[NH3+])Cc1ccccc1 ZINC000435886609 201296627 /nfs/dbraw/zinc/29/66/27/201296627.db2.gz ZNKREQXVEZMMRM-UHFFFAOYSA-N 2 0 221.348 1.057 20 0 BDADRP CC[N@@H+]1CC[C@@H](N(C)CCC[NH2+]C)[C@@H](C)C1 ZINC000435881906 201295568 /nfs/dbraw/zinc/29/55/68/201295568.db2.gz WNMPXXJPTYCTDH-QWHCGFSZSA-N 2 0 227.396 1.258 20 0 BDADRP C[C@H]([NH2+][C@H]1CCCOCC1)C1CC[NH+](C)CC1 ZINC000310493560 491161733 /nfs/dbraw/zinc/16/17/33/491161733.db2.gz PCZRRGQMMPUGES-JSGCOSHPSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)[C@@H]([NH3+])c1cn(-c2cccc(C[NH3+])c2)nn1 ZINC000630607074 364330910 /nfs/dbraw/zinc/33/09/10/364330910.db2.gz BZUCNPKEKXYAAE-CYBMUJFWSA-N 2 0 245.330 1.382 20 0 BDADRP [NH3+]CCCCc1cn(-c2cccc(C[NH3+])c2)nn1 ZINC000630607697 364332604 /nfs/dbraw/zinc/33/26/04/364332604.db2.gz MOLLXBUIENZFSP-UHFFFAOYSA-N 2 0 245.330 1.007 20 0 BDADRP [NH3+]CC1(c2ccc(F)cc2)CC[NH2+]CC1 ZINC000071511190 181362890 /nfs/dbraw/zinc/36/28/90/181362890.db2.gz JESCZFUFZZWMCL-UHFFFAOYSA-N 2 0 208.280 1.406 20 0 BDADRP [NH3+]CC1CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000224609733 181365480 /nfs/dbraw/zinc/36/54/80/181365480.db2.gz VWYMEWBDLVUWMV-NSHDSACASA-N 2 0 214.378 1.410 20 0 BDADRP C[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000573338667 364803757 /nfs/dbraw/zinc/80/37/57/364803757.db2.gz VDMVNQCAMIWVRZ-NDBYEHHHSA-N 2 0 226.364 1.519 20 0 BDADRP COC[C@H](C)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000580514357 364776702 /nfs/dbraw/zinc/77/67/02/364776702.db2.gz NPXYLMYZZFUHDW-OLZOCXBDSA-N 2 0 228.380 1.685 20 0 BDADRP C[N@H+](C[C@@H]1CCCC[C@H]1O)CC(C)(C)C[NH3+] ZINC000328191095 364817079 /nfs/dbraw/zinc/81/70/79/364817079.db2.gz PKWHZRJNKJCTCF-NWDGAFQWSA-N 2 0 228.380 1.454 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCCC[C@H]2O)C1 ZINC000573641230 364882227 /nfs/dbraw/zinc/88/22/27/364882227.db2.gz HPAJNSDRJLUCST-BFHYXJOUSA-N 2 0 240.391 1.421 20 0 BDADRP [NH3+]CCCC(=O)NCC[NH2+]C1CCCCCC1 ZINC000237916615 181372617 /nfs/dbraw/zinc/37/26/17/181372617.db2.gz RSIQEEDYALOGOQ-UHFFFAOYSA-N 2 0 241.379 1.154 20 0 BDADRP C[NH2+]CC1CC[NH+]([C@@H](C)c2ncc(C)o2)CC1 ZINC000573803326 364919299 /nfs/dbraw/zinc/91/92/99/364919299.db2.gz WSUKQRUUQXJBIE-NSHDSACASA-N 2 0 237.347 1.975 20 0 BDADRP C[NH2+]CC1CC[NH+]([C@H](C)c2ncc(C)o2)CC1 ZINC000573803325 364919371 /nfs/dbraw/zinc/91/93/71/364919371.db2.gz WSUKQRUUQXJBIE-LLVKDONJSA-N 2 0 237.347 1.975 20 0 BDADRP C(C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)[C@@H]1CC[NH2+]C1 ZINC000335007724 541419336 /nfs/dbraw/zinc/41/93/36/541419336.db2.gz IQOXLROMUQNURM-KBPBESRZSA-N 3 0 237.391 1.062 20 0 BDADRP [NH3+]CCCC[NH+]1CCN(Cc2ccco2)CC1 ZINC000019852858 181376268 /nfs/dbraw/zinc/37/62/68/181376268.db2.gz YQNLLZUPIUNWGX-UHFFFAOYSA-N 2 0 237.347 1.136 20 0 BDADRP CN(C)c1cccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000573934194 364951024 /nfs/dbraw/zinc/95/10/24/364951024.db2.gz RGZOBSJBVMAYKY-NWDGAFQWSA-N 2 0 248.374 1.507 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1NCc1ccc(C[NH3+])cc1 ZINC000574040574 364974396 /nfs/dbraw/zinc/97/43/96/364974396.db2.gz OORIXURZDLHDKY-RISCZKNCSA-N 2 0 233.359 1.233 20 0 BDADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCCC[C@@H](C)C1 ZINC000574164483 364999577 /nfs/dbraw/zinc/99/95/77/364999577.db2.gz LHTVZHUHPLGZFW-VXGBXAGGSA-N 2 0 214.353 1.079 20 0 BDADRP CC(C)[NH2+]CCCNC(=O)c1ccc(C[NH3+])cc1 ZINC000574426284 365060198 /nfs/dbraw/zinc/06/01/98/365060198.db2.gz IHFHMDHZCLKDAH-UHFFFAOYSA-N 2 0 249.358 1.263 20 0 BDADRP C[C@@H]1CN(Cc2ccc3c(c2)C[NH2+]CC3)C[C@@H]1[NH3+] ZINC000574331642 365038613 /nfs/dbraw/zinc/03/86/13/365038613.db2.gz IQTFWZORYPHFMJ-ABAIWWIYSA-N 2 0 245.370 1.111 20 0 BDADRP Cc1ccc(CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)nc1 ZINC000574822634 365153879 /nfs/dbraw/zinc/15/38/79/365153879.db2.gz MOKKYJXCCJBTQT-TZMCWYRMSA-N 2 0 233.359 1.792 20 0 BDADRP CC[C@H]1C[N@H+](C)CCN1CC[C@H]1CCC[NH+]1C ZINC000574807134 365147301 /nfs/dbraw/zinc/14/73/01/365147301.db2.gz PMAJDCLDVZDZIC-UONOGXRCSA-N 2 0 239.407 1.497 20 0 BDADRP Nc1cccc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000443070176 193012248 /nfs/dbraw/zinc/01/22/48/193012248.db2.gz KUSGPTVZBVOCLG-LBPRGKRZSA-N 2 0 233.359 1.830 20 0 BDADRP C[C@H](C[NH2+]C(C1CC1)C1CC1)C[NH+](C)C ZINC000379778689 365249429 /nfs/dbraw/zinc/24/94/29/365249429.db2.gz FBWPSICEQGXCFS-SNVBAGLBSA-N 2 0 210.365 1.962 20 0 BDADRP CC(C)[NH2+]CCCNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000575235945 365263275 /nfs/dbraw/zinc/26/32/75/365263275.db2.gz UUJVKIMQXXKXEW-LBPRGKRZSA-N 2 0 241.379 1.023 20 0 BDADRP COCC[C@H](C)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000575195354 365237078 /nfs/dbraw/zinc/23/70/78/365237078.db2.gz HNPMFDNHLAOCEE-SDDRHHMPSA-N 2 0 214.353 1.519 20 0 BDADRP COCC[C@H](C)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000575195353 365237523 /nfs/dbraw/zinc/23/75/23/365237523.db2.gz HNPMFDNHLAOCEE-QJPTWQEYSA-N 2 0 214.353 1.519 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H](C)Cc1ccsc1 ZINC000575774520 365360491 /nfs/dbraw/zinc/36/04/91/365360491.db2.gz RJAJQEIEAAGYHO-JTQLQIEISA-N 2 0 212.362 1.878 20 0 BDADRP CC(C)[N@H+](C)CC1CCN(CC(C)(C)[NH3+])CC1 ZINC000575802495 365367742 /nfs/dbraw/zinc/36/77/42/365367742.db2.gz KYKDMZQLEIROPR-UHFFFAOYSA-N 2 0 241.423 1.776 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000576002986 365445447 /nfs/dbraw/zinc/44/54/47/365445447.db2.gz IHTONSIYTFQQKK-GWOFURMSSA-N 2 0 200.326 1.269 20 0 BDADRP C[N@H+](CCC[NH3+])Cc1ccc(-n2cncn2)cc1 ZINC000579592225 366897231 /nfs/dbraw/zinc/89/72/31/366897231.db2.gz JMDZTHIPWFTKII-UHFFFAOYSA-N 2 0 245.330 1.048 20 0 BDADRP CCc1cnc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)o1 ZINC000576164187 365506151 /nfs/dbraw/zinc/50/61/51/365506151.db2.gz OEMRQVJNFFTZTN-TXEJJXNPSA-N 2 0 249.358 1.668 20 0 BDADRP CC[N@H+](CCN[C@H]1CCC[C@@H]([NH3+])C1)C(C)C ZINC000580963192 367220855 /nfs/dbraw/zinc/22/08/55/367220855.db2.gz OXYGDDSFEHQXJP-OLZOCXBDSA-N 2 0 227.396 1.576 20 0 BDADRP c1[nH]nc2cc(C[NH2+]CC[C@H]3CC[NH2+]C3)ccc12 ZINC000580999496 367228126 /nfs/dbraw/zinc/22/81/26/367228126.db2.gz PYOJBWXLQYMGFJ-LLVKDONJSA-N 2 0 244.342 1.652 20 0 BDADRP c1[nH]nc2cc(C[NH2+]CC[C@@H]3CC[NH2+]C3)ccc12 ZINC000580999498 367230284 /nfs/dbraw/zinc/23/02/84/367230284.db2.gz PYOJBWXLQYMGFJ-NSHDSACASA-N 2 0 244.342 1.652 20 0 BDADRP C[C@@H]1[C@H](C)OCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000380534396 367231056 /nfs/dbraw/zinc/23/10/56/367231056.db2.gz MXDOHBTWURBMOE-FRRDWIJNSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cc(O)cc(F)c1 ZINC000581011678 367234192 /nfs/dbraw/zinc/23/41/92/367234192.db2.gz NUQRMEDKSQTDDI-RKDXNWHRSA-N 2 0 226.295 1.747 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@H](C)[C@@H]2C)CC[NH2+]1 ZINC000380565364 367243775 /nfs/dbraw/zinc/24/37/75/367243775.db2.gz OJDMCLRZBCSMGE-YVECIDJPSA-N 2 0 226.364 1.484 20 0 BDADRP CC[C@H]1CCCC[N@@H+]1C[C@@H](O)CN(C)CC ZINC000381090980 367349857 /nfs/dbraw/zinc/34/98/57/367349857.db2.gz VCWPMAWRHJOMDV-STQMWFEESA-N 2 0 228.380 1.564 20 0 BDADRP CN(Cc1nc(C(C)(C)[NH3+])no1)C(C)(C)C ZINC000382111941 367486768 /nfs/dbraw/zinc/48/67/68/367486768.db2.gz LBHYRZLXEWXEKQ-UHFFFAOYSA-N 2 0 226.324 1.494 20 0 BDADRP C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000581418796 367460606 /nfs/dbraw/zinc/46/06/06/367460606.db2.gz ZTLRDAWRPHTSSN-NXEZZACHSA-N 2 0 247.342 1.254 20 0 BDADRP COC[C@@H](C)C[NH2+]CCC[NH2+]C1CC1 ZINC000382550772 367537110 /nfs/dbraw/zinc/53/71/10/367537110.db2.gz UIQRMKMZLGXMMT-JTQLQIEISA-N 2 0 200.326 1.001 20 0 BDADRP CC(C)[NH+]1CCC(NCCC[NH2+]C2CC2)CC1 ZINC000382559599 367539713 /nfs/dbraw/zinc/53/97/13/367539713.db2.gz QVRUYKSRCBPMPW-UHFFFAOYSA-N 2 0 239.407 1.591 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000383248435 367609705 /nfs/dbraw/zinc/60/97/05/367609705.db2.gz WBMOZCKPTUJRBD-NXEZZACHSA-N 2 0 218.291 1.749 20 0 BDADRP C[C@H]([NH3+])c1ccc(CNC(=O)C2([NH3+])CCC2)cc1 ZINC000581606410 367630084 /nfs/dbraw/zinc/63/00/84/367630084.db2.gz JECNJLZQHRUKJC-JTQLQIEISA-N 2 0 247.342 1.204 20 0 BDADRP CC[C@@H]1[C@@H](C)CC[N@@H+]1C[C@@H](O)CN(C)CC ZINC000384040959 367669863 /nfs/dbraw/zinc/66/98/63/367669863.db2.gz UPKZBWHLPOTIBU-RWMBFGLXSA-N 2 0 228.380 1.419 20 0 BDADRP CCCCOCC[N@H+](C)C1CC([NH3+])C1 ZINC000384710043 367719659 /nfs/dbraw/zinc/71/96/59/367719659.db2.gz DEWLYVXFVZEPKG-UHFFFAOYSA-N 2 0 200.326 1.225 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2C[NH3+])[C@@H](C)O1 ZINC000384735286 367723540 /nfs/dbraw/zinc/72/35/40/367723540.db2.gz KMSLESSIRDNJGZ-LBELIVKGSA-N 2 0 226.364 1.659 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000384776879 367729976 /nfs/dbraw/zinc/72/99/76/367729976.db2.gz VRGJBJFVBKPAMN-UTUOFQBUSA-N 2 0 214.353 1.255 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000384827117 367737383 /nfs/dbraw/zinc/73/73/83/367737383.db2.gz XHEGOQHYESFKBN-WISYIIOYSA-N 2 0 214.353 1.659 20 0 BDADRP CC(C)[NH2+]CCC[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000566088194 325992178 /nfs/dbraw/zinc/99/21/78/325992178.db2.gz BXSGZLRJYNETCZ-IJLUTSLNSA-N 2 0 214.353 1.530 20 0 BDADRP Cc1cnccc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000384910890 367756174 /nfs/dbraw/zinc/75/61/74/367756174.db2.gz BVIJSEVGJPSDRB-SMDDNHRTSA-N 2 0 233.359 1.807 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H]2C[C@@H](C)O[C@H]2C)C1 ZINC000384962693 367766616 /nfs/dbraw/zinc/76/66/16/367766616.db2.gz SIFVIQTYQHNOGB-RFGFWPKPSA-N 2 0 240.391 1.872 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)[C@H](C)O1 ZINC000385224283 367810980 /nfs/dbraw/zinc/81/09/80/367810980.db2.gz SXHNDPGLPRQNQY-BJJPWKGXSA-N 2 0 238.375 1.769 20 0 BDADRP COc1ccc(CC[N@H+](C)C2CC([NH3+])C2)cc1 ZINC000385051677 367780873 /nfs/dbraw/zinc/78/08/73/367780873.db2.gz SSVDIGAHMBAIBW-UHFFFAOYSA-N 2 0 234.343 1.659 20 0 BDADRP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)[C@H](C)O ZINC000581721326 367784235 /nfs/dbraw/zinc/78/42/35/367784235.db2.gz PSZZNRQYTDLXAW-GRYCIOLGSA-N 2 0 230.396 1.712 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000386136540 367917510 /nfs/dbraw/zinc/91/75/10/367917510.db2.gz PSJWPCNQLTZBIR-YVECIDJPSA-N 2 0 226.364 1.674 20 0 BDADRP C[C@@H](NCCC[NH+]1CCCC1)[C@@H]1CCCC[NH2+]1 ZINC000386032795 367900182 /nfs/dbraw/zinc/90/01/82/367900182.db2.gz RBVPGQZAQCBAGJ-KGLIPLIRSA-N 2 0 239.407 1.593 20 0 BDADRP C[C@H](O)CCC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386554834 367989898 /nfs/dbraw/zinc/98/98/98/367989898.db2.gz HSCUBWNSOWLDLL-SDDRHHMPSA-N 2 0 214.353 1.268 20 0 BDADRP C[C@@H]([NH2+]CCC[C@H](C)CO)[C@H]1CCCC[NH2+]1 ZINC000386592538 367998293 /nfs/dbraw/zinc/99/82/93/367998293.db2.gz RTIQGVUEINFNPF-YNEHKIRRSA-N 2 0 228.380 1.515 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12)[C@H]1CCC[NH2+]C1 ZINC000581997174 368098282 /nfs/dbraw/zinc/09/82/82/368098282.db2.gz FNXQXMHGRHYGOA-YHQUGGNUSA-N 2 0 238.375 1.532 20 0 BDADRP Cn1cc(C[NH2+]C(C)(C)CCC[NH+](C)C)cn1 ZINC000387301311 368145577 /nfs/dbraw/zinc/14/55/77/368145577.db2.gz JVHGQTJLLDQCMF-UHFFFAOYSA-N 2 0 238.379 1.630 20 0 BDADRP CC[NH+]1CCC(C[NH2+]C[C@H]2CCCOC2)CC1 ZINC000104317300 368293789 /nfs/dbraw/zinc/29/37/89/368293789.db2.gz VSSSTIHNYUMNDP-CQSZACIVSA-N 2 0 240.391 1.735 20 0 BDADRP CC(C)[C@H](C)[NH2+]CCCC[NH+]1CCOCC1 ZINC000158757598 201648976 /nfs/dbraw/zinc/64/89/76/201648976.db2.gz YFEKTDXLGNUQRS-ZDUSSCGKSA-N 2 0 228.380 1.733 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)[C@H](C)O ZINC000567161373 326126274 /nfs/dbraw/zinc/12/62/74/326126274.db2.gz XFCZOGKSEBVODO-MNOVXSKESA-N 2 0 226.364 1.220 20 0 BDADRP CSCCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000086404304 368881457 /nfs/dbraw/zinc/88/14/57/368881457.db2.gz FFCQHCKSBDOJED-UWVGGRQHSA-N 2 0 202.367 1.599 20 0 BDADRP CSCCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000086404308 368881513 /nfs/dbraw/zinc/88/15/13/368881513.db2.gz FFCQHCKSBDOJED-ZJUUUORDSA-N 2 0 202.367 1.599 20 0 BDADRP C[NH+](C)CCSCC1CC[NH2+]CC1 ZINC000087417179 368893116 /nfs/dbraw/zinc/89/31/16/368893116.db2.gz ZLYHSSBBGVUCER-UHFFFAOYSA-N 2 0 202.367 1.281 20 0 BDADRP CO[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623809065 368956907 /nfs/dbraw/zinc/95/69/07/368956907.db2.gz OVAPKNITDVITSQ-SRVKXCTJSA-N 2 0 226.364 1.626 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623657181 368997949 /nfs/dbraw/zinc/99/79/49/368997949.db2.gz KYKMQIYUBKZVCE-AVGNSLFASA-N 2 0 226.364 1.485 20 0 BDADRP [NH3+][C@@H]1CCCCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000631831778 369015679 /nfs/dbraw/zinc/01/56/79/369015679.db2.gz ONLKGKSNIGLPMT-QWHCGFSZSA-N 2 0 225.380 1.189 20 0 BDADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CCOC2)C1 ZINC000623655776 368991319 /nfs/dbraw/zinc/99/13/19/368991319.db2.gz FCVCHOGWKOABFT-VXGBXAGGSA-N 2 0 212.337 1.097 20 0 BDADRP CO[C@H](C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1)c1ccccc1 ZINC000631836831 369083816 /nfs/dbraw/zinc/08/38/16/369083816.db2.gz HQWKNAMIYXMLGD-BPLDGKMQSA-N 2 0 248.370 1.901 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000567641281 326236654 /nfs/dbraw/zinc/23/66/54/326236654.db2.gz RIRZAORJYDUQFB-NEPJUHHUSA-N 3 0 227.396 1.434 20 0 BDADRP CC(C)[NH2+]CCCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000567639270 326236860 /nfs/dbraw/zinc/23/68/60/326236860.db2.gz CWJPRHIZPSVEQA-OLZOCXBDSA-N 2 0 227.396 1.352 20 0 BDADRP c1[nH+]cn2cc(C[NH2+]CC[C@H]3CCOC3)ccc12 ZINC000459662218 203333688 /nfs/dbraw/zinc/33/36/88/203333688.db2.gz SUAYQZWNNKAARE-LBPRGKRZSA-N 2 0 245.326 1.851 20 0 BDADRP Cn1cncc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459727718 203341337 /nfs/dbraw/zinc/34/13/37/203341337.db2.gz HGIOEYAKCFXRSF-GFCCVEGCSA-N 2 0 236.363 1.242 20 0 BDADRP Cn1ccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c1 ZINC000459733571 203344688 /nfs/dbraw/zinc/34/46/88/203344688.db2.gz NWOFNMATPGDHIE-CYBMUJFWSA-N 2 0 235.375 1.847 20 0 BDADRP C[C@@H]1OCC[C@H]1[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459734141 203347403 /nfs/dbraw/zinc/34/74/03/203347403.db2.gz OEQKSSDJLCEKOY-YNEHKIRRSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)CCO1 ZINC000459736637 203347809 /nfs/dbraw/zinc/34/78/09/203347809.db2.gz QCSREBZNIGJZRA-MGPQQGTHSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1OCC[C@H]1[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459734134 203348073 /nfs/dbraw/zinc/34/80/73/203348073.db2.gz OEQKSSDJLCEKOY-RWMBFGLXSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H](C[NH2+][C@@H](C)C1CC1)N1CC[NH+](C)CC1 ZINC000165293986 203382296 /nfs/dbraw/zinc/38/22/96/203382296.db2.gz LOWUVMIPYYIYKH-RYUDHWBXSA-N 2 0 225.380 1.010 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)C1CC1 ZINC000165301746 203382436 /nfs/dbraw/zinc/38/24/36/203382436.db2.gz WOUCNFQMRLUAHA-NSHDSACASA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000631862351 369521029 /nfs/dbraw/zinc/52/10/29/369521029.db2.gz OFUKAGVAAZEESD-IAQYHMDHSA-N 2 0 245.370 1.254 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)[C@H]2C[C@]23CC[NH2+]C3)cc1 ZINC000336601229 181484810 /nfs/dbraw/zinc/48/48/10/181484810.db2.gz QFFONWYDGYUKEH-OCCSQVGLSA-N 2 0 245.326 1.083 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000166317371 203388399 /nfs/dbraw/zinc/38/83/99/203388399.db2.gz WMABSQNIQCQQLA-MGPQQGTHSA-N 2 0 237.391 1.297 20 0 BDADRP CC[NH2+]CC1CC[NH+](CC2(F)CC2)CC1 ZINC000309635166 370237563 /nfs/dbraw/zinc/23/75/63/370237563.db2.gz MENFLUCADHLIGN-UHFFFAOYSA-N 2 0 214.328 1.810 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C)(CC)CC1 ZINC000310462305 370346917 /nfs/dbraw/zinc/34/69/17/370346917.db2.gz BBFHWBQOFNYIJN-CYBMUJFWSA-N 2 0 242.407 1.811 20 0 BDADRP CCn1cc(CC[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cn1 ZINC000621774417 370519740 /nfs/dbraw/zinc/51/97/40/370519740.db2.gz SVERGSYBRVRYMZ-DGCLKSJQSA-N 2 0 236.363 1.115 20 0 BDADRP CCn1cc(CCN2CC[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000621773838 370518963 /nfs/dbraw/zinc/51/89/63/370518963.db2.gz CZGBTQXCRBICMK-KGLIPLIRSA-N 2 0 248.374 1.272 20 0 BDADRP CN1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C(C)(C)C1 ZINC000621776577 370526485 /nfs/dbraw/zinc/52/64/85/370526485.db2.gz PEGFCPZDYMHCSE-LBPRGKRZSA-N 2 0 225.380 1.012 20 0 BDADRP C(CN1CCC[C@@H]2C[NH2+]CC[C@H]21)[C@H]1CC[NH2+]C1 ZINC000631890339 371005732 /nfs/dbraw/zinc/00/57/32/371005732.db2.gz OVQZZJZXNOCPCV-MGPQQGTHSA-N 2 0 237.391 1.060 20 0 BDADRP CCc1ccc(C[NH2+]CCN2CC[C@H](O)C2)cc1 ZINC000623836112 371119403 /nfs/dbraw/zinc/11/94/03/371119403.db2.gz LTRXDJPMBSTGHM-HNNXBMFYSA-N 2 0 248.370 1.405 20 0 BDADRP Cc1ccc(C)c(C[NH2+]CCN2CC[C@H](O)C2)c1 ZINC000623836301 371120182 /nfs/dbraw/zinc/12/01/82/371120182.db2.gz URHIKEBGESBPHP-HNNXBMFYSA-N 2 0 248.370 1.460 20 0 BDADRP C[C@H](C[NH2+][C@H](C)[C@H]1CCCCO1)C[NH+](C)C ZINC000623988047 371220895 /nfs/dbraw/zinc/22/08/95/371220895.db2.gz XQSUCWFQJIASAI-JHJVBQTASA-N 2 0 228.380 1.731 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1NCC[NH2+]C1CCCCCC1 ZINC000331534395 181581567 /nfs/dbraw/zinc/58/15/67/181581567.db2.gz PVMCACHSJVIAPP-KGLIPLIRSA-N 2 0 239.407 1.768 20 0 BDADRP C[C@@H](CCCCO)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624122164 371322875 /nfs/dbraw/zinc/32/28/75/371322875.db2.gz LIXDBDKMRTXLPI-UONOGXRCSA-N 2 0 242.407 1.859 20 0 BDADRP C[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624122900 371325146 /nfs/dbraw/zinc/32/51/46/371325146.db2.gz AVLLPKVRGDJPOX-HZSPNIEDSA-N 2 0 240.391 1.733 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H]2C[C@@H](OC)C2)[C@H](C)C1 ZINC000624309602 371471918 /nfs/dbraw/zinc/47/19/18/371471918.db2.gz RSMXPCCUVOPGBK-YIYPIFLZSA-N 2 0 240.391 1.731 20 0 BDADRP CCSCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000228674885 372067277 /nfs/dbraw/zinc/06/72/77/372067277.db2.gz SLELGMBKDDXUQA-WDEREUQCSA-N 2 0 216.394 1.799 20 0 BDADRP OC[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000631670930 372497256 /nfs/dbraw/zinc/49/72/56/372497256.db2.gz YVALBRGOZZKYKF-XBXGTLAGSA-N 2 0 238.375 1.221 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC[C@@H](O)C(F)F)CC[N@@H+]1C ZINC000631697699 372510450 /nfs/dbraw/zinc/51/04/50/372510450.db2.gz OOMGPTHPWFIGNX-KXUCPTDWSA-N 2 0 236.306 1.075 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000631825662 372603371 /nfs/dbraw/zinc/60/33/71/372603371.db2.gz PRYDAARSQUYYAD-AVGNSLFASA-N 2 0 226.364 1.472 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@H]1CCO[C@H]1C ZINC000631822219 372584492 /nfs/dbraw/zinc/58/44/92/372584492.db2.gz WVOQBYIPPWCDDK-TUAOUCFPSA-N 2 0 212.337 1.095 20 0 BDADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C[C@H]1CCO[C@@H]1C ZINC000631825196 372592119 /nfs/dbraw/zinc/59/21/19/372592119.db2.gz BVYZAKCEXWMPNA-WYUUTHIRSA-N 2 0 230.327 1.043 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@H]2CCO[C@H]2C)C1 ZINC000631821375 372595381 /nfs/dbraw/zinc/59/53/81/372595381.db2.gz WJROGGZVZZHCAB-RWMBFGLXSA-N 2 0 226.364 1.343 20 0 BDADRP N[C@H]1CCCCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000631835087 372620865 /nfs/dbraw/zinc/62/08/65/372620865.db2.gz MBGFYLNQYAKIIX-STQMWFEESA-N 2 0 225.380 1.189 20 0 BDADRP CO[C@H](C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1)C1CCC1 ZINC000631836521 372622762 /nfs/dbraw/zinc/62/27/62/372622762.db2.gz ARAIZMLESXEYJE-RAIGVLPGSA-N 2 0 226.364 1.328 20 0 BDADRP C[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@H]1C[NH3+] ZINC000631836603 372625354 /nfs/dbraw/zinc/62/53/54/372625354.db2.gz CJXHFGCPMNXMFA-ZYHUDNBSSA-N 2 0 210.365 1.949 20 0 BDADRP Cc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c(C)n1 ZINC000631837432 372627863 /nfs/dbraw/zinc/62/78/63/372627863.db2.gz BKCDLQUJDNBIOQ-QMTHXVAHSA-N 2 0 233.359 1.725 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccccc2F)C[C@H]1C[NH3+] ZINC000631842730 372640439 /nfs/dbraw/zinc/64/04/39/372640439.db2.gz DZZNPDQTGNRQCP-CMPLNLGQSA-N 2 0 222.307 1.852 20 0 BDADRP CCC1([NH+](C)C)CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000631865788 372666750 /nfs/dbraw/zinc/66/67/50/372666750.db2.gz OHLFOSOQPFUXBE-CYBMUJFWSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@H]1OCC[C@H]1C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631867434 372669435 /nfs/dbraw/zinc/66/94/35/372669435.db2.gz UPYRRWQBHOCOOB-XQHKEYJVSA-N 2 0 224.348 1.143 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631867431 372669848 /nfs/dbraw/zinc/66/98/48/372669848.db2.gz UPYRRWQBHOCOOB-LOWDOPEQSA-N 2 0 224.348 1.143 20 0 BDADRP [NH3+]C[C@@H]1Cc2ccccc2N(C[C@@H]2CC[NH2+]C2)C1 ZINC000631892506 372689034 /nfs/dbraw/zinc/68/90/34/372689034.db2.gz KZYRDNREKBZXNH-OLZOCXBDSA-N 2 0 245.370 1.234 20 0 BDADRP CC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173945206 205549353 /nfs/dbraw/zinc/54/93/53/205549353.db2.gz UCHSSDCDTGOWEX-UHFFFAOYSA-N 2 0 226.364 1.583 20 0 BDADRP CC(C)C[C@H]([NH3+])CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414650025 205767899 /nfs/dbraw/zinc/76/78/99/205767899.db2.gz CRGBTDUZQDBWAE-ICIURTGMSA-N 2 0 239.407 1.575 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCCO)[C@H](C)C1 ZINC000194220157 206005104 /nfs/dbraw/zinc/00/51/04/206005104.db2.gz BOWWEKUGLHGLBL-VXGBXAGGSA-N 2 0 214.353 1.079 20 0 BDADRP CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000459734496 206013431 /nfs/dbraw/zinc/01/34/31/206013431.db2.gz CMJJGXCPQQZYMX-RQJABVFESA-N 2 0 238.375 1.770 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)C(CC)(CC)C[NH3+] ZINC000337532940 168962752 /nfs/dbraw/zinc/96/27/52/168962752.db2.gz DWCVTMLVVIBLBI-NSHDSACASA-N 2 0 243.395 1.385 20 0 BDADRP CCCC[C@@H]([NH3+])C(=O)NCCC[NH+](CC)CC ZINC000037619243 168967128 /nfs/dbraw/zinc/96/71/28/168967128.db2.gz NUSZFQFIQNNCER-GFCCVEGCSA-N 2 0 243.395 1.352 20 0 BDADRP OCC[N@H+](C[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000132298532 183067981 /nfs/dbraw/zinc/06/79/81/183067981.db2.gz REWYRPBOHJOMDU-CYBMUJFWSA-N 2 0 240.391 1.613 20 0 BDADRP OC[C@@H]1CCCC[N@H+](CCC[NH+]2CCCC2)C1 ZINC000372885866 183115778 /nfs/dbraw/zinc/11/57/78/183115778.db2.gz WSXFNLNVDHHMIO-CQSZACIVSA-N 2 0 240.391 1.567 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1CC[NH2+][C@@H]1CC ZINC000353170248 169002090 /nfs/dbraw/zinc/00/20/90/169002090.db2.gz ARGSKCJEFQHGSO-IJLUTSLNSA-N 2 0 241.379 1.008 20 0 BDADRP OC[C@H]1[C@@H]2C[N@H+](CCC[NH+]3CCCCC3)C[C@H]12 ZINC000366439814 183132760 /nfs/dbraw/zinc/13/27/60/183132760.db2.gz OAHYETUKPKNJIX-WDNDVIMCSA-N 2 0 238.375 1.033 20 0 BDADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H]2CCOC2)C1 ZINC000336707418 169077284 /nfs/dbraw/zinc/07/72/84/169077284.db2.gz ORXNESXIJPMFSR-ZIAGYGMSSA-N 2 0 240.391 1.687 20 0 BDADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCC[C@@H](C)O)C1 ZINC000336701869 169078652 /nfs/dbraw/zinc/07/86/52/169078652.db2.gz JYTVYSSVAOGTKD-ZIAGYGMSSA-N 2 0 242.407 1.811 20 0 BDADRP CCC[N@H+](CC)CCN[C@H]1C[NH+](C)C[C@@H]1C ZINC000336739000 169122614 /nfs/dbraw/zinc/12/26/14/169122614.db2.gz OQZSKHNNYMERLD-STQMWFEESA-N 2 0 227.396 1.258 20 0 BDADRP CCC[N@H+](CC1CCOCC1)C1CC[NH2+]CC1 ZINC000052174653 169138436 /nfs/dbraw/zinc/13/84/36/169138436.db2.gz ZTEVERBPVMJTLC-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP CCC[NH+](CCC)CCCNC(=O)C[C@H](C)[NH3+] ZINC000340186358 169148064 /nfs/dbraw/zinc/14/80/64/169148064.db2.gz SQVZZEPYCDTLEJ-LBPRGKRZSA-N 2 0 243.395 1.352 20 0 BDADRP CCC[NH+]1CCC([NH2+]CCn2ccnc2)CC1 ZINC000041063689 169188510 /nfs/dbraw/zinc/18/85/10/169188510.db2.gz NNYNXTVXOSFAKQ-UHFFFAOYSA-N 2 0 236.363 1.347 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H](C)CCO)CC1 ZINC000122775228 169189525 /nfs/dbraw/zinc/18/95/25/169189525.db2.gz AGDXJSINQWNBRV-LLVKDONJSA-N 2 0 214.353 1.221 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H]2C[C@@H](O)C2(C)C)CC1 ZINC000129223703 169189716 /nfs/dbraw/zinc/18/97/16/169189716.db2.gz UUMWCLIHJGMBGR-CHWSQXEVSA-N 2 0 240.391 1.610 20 0 BDADRP CCC[N@@H+]1CCC[C@@H]1CNC1CC[NH+](C)CC1 ZINC000353138990 169196391 /nfs/dbraw/zinc/19/63/91/169196391.db2.gz NJMPMRPSESQCKJ-CQSZACIVSA-N 2 0 239.407 1.545 20 0 BDADRP c1cc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc2c1OCO2 ZINC000128886736 183367554 /nfs/dbraw/zinc/36/75/54/183367554.db2.gz VUVZXJZOBOUQPY-GFCCVEGCSA-N 2 0 248.326 1.647 20 0 BDADRP c1cc(C[NH2+][C@H]2CCC[NH2+]CC2)cc2c1OCO2 ZINC000128886955 183367845 /nfs/dbraw/zinc/36/78/45/183367845.db2.gz VUVZXJZOBOUQPY-LBPRGKRZSA-N 2 0 248.326 1.647 20 0 BDADRP c1ccc(CC[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000031994560 183392716 /nfs/dbraw/zinc/39/27/16/183392716.db2.gz CCUYKVBNXWUEKF-OAHLLOKOSA-N 2 0 230.355 1.915 20 0 BDADRP CCC[C@@H]([NH3+])C(=O)NCC[N@H+](C)C1CCCC1 ZINC000071378756 169389448 /nfs/dbraw/zinc/38/94/48/169389448.db2.gz IVWHCQIKCFKMCA-GFCCVEGCSA-N 2 0 241.379 1.104 20 0 BDADRP CCC[C@@H]([NH3+])C(=O)NCCCC[NH+](CC)CC ZINC000083372046 169389919 /nfs/dbraw/zinc/38/99/19/169389919.db2.gz MIZDZSHYVQOXRX-GFCCVEGCSA-N 2 0 243.395 1.352 20 0 BDADRP CCC[C@@H]([NH3+])C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000236992537 169391219 /nfs/dbraw/zinc/39/12/19/169391219.db2.gz UYZPWHXFGLZTFT-GHMZBOCLSA-N 2 0 243.395 1.206 20 0 BDADRP CCC[NH+]1CCC([NH2+]CCOCC2CC2)CC1 ZINC000223377509 134338451 /nfs/dbraw/zinc/33/84/51/134338451.db2.gz KSMPHKBXMXVTII-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP CCC[C@H](C)C[NH2+]CCCN1CC[NH+](C)CC1 ZINC000020128526 169481444 /nfs/dbraw/zinc/48/14/44/169481444.db2.gz QQNXECMZLBFQJL-AWEZNQCLSA-N 2 0 241.423 1.650 20 0 BDADRP CCC[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000037859740 169493560 /nfs/dbraw/zinc/49/35/60/169493560.db2.gz RCTOVUQUSIHELN-RYUDHWBXSA-N 2 0 214.353 1.221 20 0 BDADRP CCC[C@H](C[NH2+][C@H](C)CCCC[NH3+])OC ZINC000356341293 169499659 /nfs/dbraw/zinc/49/96/59/169499659.db2.gz UJMUNXMSNFLMBK-VXGBXAGGSA-N 2 0 216.369 1.909 20 0 BDADRP C[C@H]1CCC[C@H]([NH2+]CCOCC[NH+](C)C)C1 ZINC000226745146 134371028 /nfs/dbraw/zinc/37/10/28/134371028.db2.gz DHBJZWXZOPLNFW-STQMWFEESA-N 2 0 228.380 1.733 20 0 BDADRP COC[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)C(C)C ZINC000227496227 134381167 /nfs/dbraw/zinc/38/11/67/134381167.db2.gz YKNHEXNDVXSEHS-CYBMUJFWSA-N 2 0 242.407 1.979 20 0 BDADRP Cc1c[nH+]ccc1NC1CC[NH+](C)CC1 ZINC000070046987 383859899 /nfs/dbraw/zinc/85/98/99/383859899.db2.gz IHHGDJXHFDBOOA-UHFFFAOYSA-N 2 0 205.305 1.896 20 0 BDADRP COC[C@@H](C)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169768 383868300 /nfs/dbraw/zinc/86/83/00/383868300.db2.gz NTCGGVFHTUSYOR-GHMZBOCLSA-N 2 0 200.326 1.082 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@@H](O)c2ccccc2)CC1 ZINC000035112689 383831877 /nfs/dbraw/zinc/83/18/77/383831877.db2.gz IOEHAYAYHUCYJN-OAHLLOKOSA-N 2 0 248.370 1.794 20 0 BDADRP CC[C@H]1CN(C(=O)CCC(C)(C)[NH3+])CC[C@@H]1[NH3+] ZINC000648124985 383883923 /nfs/dbraw/zinc/88/39/23/383883923.db2.gz HISLQXSQLUNWOE-QWRGUYRKSA-N 2 0 241.379 1.090 20 0 BDADRP COC[C@H](C)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000309661156 383889866 /nfs/dbraw/zinc/88/98/66/383889866.db2.gz RGWNAYZPRYMGMD-PNESKVBLSA-N 2 0 228.380 1.731 20 0 BDADRP CC[NH+](CC)[C@H]1CCN(CC(C)(C)[NH3+])C1 ZINC000071137278 383971152 /nfs/dbraw/zinc/97/11/52/383971152.db2.gz QTNRYVNFCYBDOJ-NSHDSACASA-N 2 0 213.369 1.140 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC[NH2+]1 ZINC000300055658 383973543 /nfs/dbraw/zinc/97/35/43/383973543.db2.gz JMGJTQBPYGUTDS-LPWJVIDDSA-N 2 0 224.348 1.238 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000401787177 384004981 /nfs/dbraw/zinc/00/49/81/384004981.db2.gz LMTMTZNFLNGVDF-RYUDHWBXSA-N 2 0 214.353 1.484 20 0 BDADRP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000643545308 384012013 /nfs/dbraw/zinc/01/20/13/384012013.db2.gz YBJMMTYPBHGQTH-JSGCOSHPSA-N 3 0 239.407 1.448 20 0 BDADRP Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000643549178 384040117 /nfs/dbraw/zinc/04/01/17/384040117.db2.gz OXUOKQWMJIGKHA-ZBAXXZLZSA-N 2 0 248.374 1.757 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@H](C)C[C@H](C)[NH3+] ZINC000564973821 384056325 /nfs/dbraw/zinc/05/63/25/384056325.db2.gz UUTJUTVTMPRPDL-AXFHLTTASA-N 2 0 201.358 1.075 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000569458642 384065861 /nfs/dbraw/zinc/06/58/61/384065861.db2.gz GQYARGMVSQQATI-AVGNSLFASA-N 3 0 225.380 1.045 20 0 BDADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CCc1cncn1C ZINC000530460167 384077631 /nfs/dbraw/zinc/07/76/31/384077631.db2.gz PFGLNGXLROXQRL-BXUZGUMPSA-N 3 0 248.374 1.035 20 0 BDADRP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCN1CCCO ZINC000449384461 384126229 /nfs/dbraw/zinc/12/62/29/384126229.db2.gz BAZWQUWRWIDTHC-RDBSUJKOSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CO[C@@H](C)C1)C[NH+]1CCCC1 ZINC000401873369 384185249 /nfs/dbraw/zinc/18/52/49/384185249.db2.gz DAPKGXSNIDGVKA-AGIUHOORSA-N 2 0 226.364 1.485 20 0 BDADRP Cc1csc(C[NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)n1 ZINC000235385220 384181184 /nfs/dbraw/zinc/18/11/84/384181184.db2.gz HIWQTFBVBBFWAG-MWLCHTKSSA-N 2 0 239.388 1.929 20 0 BDADRP C[C@H](C[NH2+][C@H]1CO[C@H](C)C1)C[NH+]1CCCC1 ZINC000401873376 384185903 /nfs/dbraw/zinc/18/59/03/384185903.db2.gz DAPKGXSNIDGVKA-JHJVBQTASA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H](C[NH3+])N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000237444609 384202460 /nfs/dbraw/zinc/20/24/60/384202460.db2.gz RUBNPIMIOAYDKZ-RYUDHWBXSA-N 2 0 241.379 1.057 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CO[C@@H](C)C2)C1 ZINC000401899548 384241130 /nfs/dbraw/zinc/24/11/30/384241130.db2.gz PPAHQHUBRRYUSZ-QJPTWQEYSA-N 2 0 212.337 1.095 20 0 BDADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCCC2(C)C)CC1 ZINC000336615660 384236606 /nfs/dbraw/zinc/23/66/06/384236606.db2.gz MYARYYCRAIKTLE-LBPRGKRZSA-N 2 0 240.391 1.611 20 0 BDADRP COC1(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)CCCC1 ZINC000319230004 384216564 /nfs/dbraw/zinc/21/65/64/384216564.db2.gz VBNXAYLFBAIROM-VXGBXAGGSA-N 2 0 226.364 1.615 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]21 ZINC000228474913 384258152 /nfs/dbraw/zinc/25/81/52/384258152.db2.gz YCCNZERKOYRNLI-MGPQQGTHSA-N 2 0 238.375 1.472 20 0 BDADRP CSCCC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000173745181 384263758 /nfs/dbraw/zinc/26/37/58/384263758.db2.gz JWGZJXYNHUEUBT-NSHDSACASA-N 2 0 216.394 1.623 20 0 BDADRP Cc1nccn1CC[NH2+][C@H](C)[C@H]1CCOC1 ZINC000133062449 384269491 /nfs/dbraw/zinc/26/94/91/384269491.db2.gz WSMYOCSSXLVNCM-PWSUYJOCSA-N 2 0 223.320 1.206 20 0 BDADRP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H](C)COC)C1 ZINC000174218540 384307575 /nfs/dbraw/zinc/30/75/75/384307575.db2.gz BMYLVIBLLSEFOK-QWHCGFSZSA-N 2 0 228.380 1.685 20 0 BDADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H](C)C[NH+](C)C ZINC000168746905 384308277 /nfs/dbraw/zinc/30/82/77/384308277.db2.gz UVAHBPOQZYWAKE-IHRRRGAJSA-N 2 0 241.423 1.837 20 0 BDADRP CCOCCC[NH+]1CCC(C[NH3+])CC1 ZINC000083550342 384311601 /nfs/dbraw/zinc/31/16/01/384311601.db2.gz XOGPCANGRWCRSO-UHFFFAOYSA-N 2 0 200.326 1.084 20 0 BDADRP Cc1cnn(C)c1C[NH2+]CC1CC[NH+](C)CC1 ZINC000352765601 384318646 /nfs/dbraw/zinc/31/86/46/384318646.db2.gz PRPKEGOXBSPKRE-UHFFFAOYSA-N 2 0 236.363 1.160 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCCCO2)C1 ZINC000173887805 384278952 /nfs/dbraw/zinc/27/89/52/384278952.db2.gz QONSYUWEQSGOGJ-KGLIPLIRSA-N 2 0 240.391 1.829 20 0 BDADRP COCC[C@H](C)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000300351794 384355647 /nfs/dbraw/zinc/35/56/47/384355647.db2.gz DOIOEUIEBAHAKO-WDEREUQCSA-N 2 0 200.326 1.082 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000300376711 384359300 /nfs/dbraw/zinc/35/93/00/384359300.db2.gz JXEBAUYMGZKLKM-KXNHARMFSA-N 2 0 212.337 1.223 20 0 BDADRP C[C@H](O)CCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000300372917 384359515 /nfs/dbraw/zinc/35/95/15/384359515.db2.gz XNKMSFVYEFTWKH-GRYCIOLGSA-N 2 0 214.353 1.220 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H]1CCSC1 ZINC000300230569 384332272 /nfs/dbraw/zinc/33/22/72/384332272.db2.gz BHQMOEHPLKPLMC-IJLUTSLNSA-N 2 0 228.405 1.669 20 0 BDADRP Cc1ccncc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000229057174 384415239 /nfs/dbraw/zinc/41/52/39/384415239.db2.gz LAXLFGMSEYMUOV-STQMWFEESA-N 2 0 233.359 1.807 20 0 BDADRP CSCCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000084222147 384377990 /nfs/dbraw/zinc/37/79/90/384377990.db2.gz LCQVAGOWDGZYGU-NXEZZACHSA-N 2 0 202.367 1.457 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cn[nH]c1 ZINC000305973238 384451115 /nfs/dbraw/zinc/45/11/15/384451115.db2.gz QCROLWFFRFJQQL-WDEREUQCSA-N 2 0 234.347 1.545 20 0 BDADRP CC[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@H](C)O ZINC000449542733 384466319 /nfs/dbraw/zinc/46/63/19/384466319.db2.gz MZHPZWMZTIECKB-WCQYABFASA-N 2 0 242.407 1.998 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CO[C@@H](C)C2)C1 ZINC000647175055 384470096 /nfs/dbraw/zinc/47/00/96/384470096.db2.gz VULXZARSXZTNAU-YNEHKIRRSA-N 2 0 226.364 1.485 20 0 BDADRP C[N@H+](CC1CCOCC1)C[C@H]1CCC[NH+](C)C1 ZINC000172583389 384501292 /nfs/dbraw/zinc/50/12/92/384501292.db2.gz VQWIDRPXQCKAAO-AWEZNQCLSA-N 2 0 240.391 1.687 20 0 BDADRP C[C@H](CCO)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000085128541 384491721 /nfs/dbraw/zinc/49/17/21/384491721.db2.gz PIRXISANJDUUPT-UTUOFQBUSA-N 2 0 214.353 1.112 20 0 BDADRP CC[N@H+](C)C[C@H]1CCN(Cc2ccc(N)nc2)C1 ZINC000647517985 384494724 /nfs/dbraw/zinc/49/47/24/384494724.db2.gz ZWGVIVTYKXPHLP-CYBMUJFWSA-N 2 0 248.374 1.268 20 0 BDADRP C([C@@H]1CC[N@H+](C[C@@H]2CCCO2)C1)[NH+]1CCCC1 ZINC000150852934 384515116 /nfs/dbraw/zinc/51/51/16/384515116.db2.gz GUHUDIHUGSTLQL-KBPBESRZSA-N 2 0 238.375 1.583 20 0 BDADRP COCCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150815966 384515474 /nfs/dbraw/zinc/51/54/74/384515474.db2.gz NMMFYUSTYJQVJU-CYBMUJFWSA-N 2 0 226.364 1.441 20 0 BDADRP C[C@H]1CCN(c2ccnc(C3CC3)n2)C[C@@H]1C[NH3+] ZINC000643052227 384554528 /nfs/dbraw/zinc/55/45/28/384554528.db2.gz GQAZJRZIVYBCQX-JQWIXIFHSA-N 2 0 246.358 1.775 20 0 BDADRP Cc1ccncc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000162429159 384558056 /nfs/dbraw/zinc/55/80/56/384558056.db2.gz OEFNOPWAKCZUHM-NSHDSACASA-N 2 0 205.305 1.171 20 0 BDADRP CC1(C)C[N@H+](CC[C@@H]2CC[NH2+]C2)C(C)(C)CO1 ZINC000643057822 384562635 /nfs/dbraw/zinc/56/26/35/384562635.db2.gz BFOQJPFGMLEAHE-LBPRGKRZSA-N 2 0 240.391 1.875 20 0 BDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000236748931 384569804 /nfs/dbraw/zinc/56/98/04/384569804.db2.gz CQBODRZSWHXWTB-GFCCVEGCSA-N 2 0 241.379 1.106 20 0 BDADRP C[C@@H]1[C@@H]([NH2+]C2CCC(O)CC2)CCCN1C ZINC000309734489 384572931 /nfs/dbraw/zinc/57/29/31/384572931.db2.gz BZYJBTXFPZFWQR-XVSSEFHLSA-N 2 0 226.364 1.362 20 0 BDADRP COC[C@H]1CCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000643058176 384566501 /nfs/dbraw/zinc/56/65/01/384566501.db2.gz KIKJZCAZLHLRQB-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP C([NH2+][C@@H]1CC[NH2+]C1)[C@H]1CC2CCC1CC2 ZINC000335074134 384614770 /nfs/dbraw/zinc/61/47/70/384614770.db2.gz BOAYVGMIQAGAAB-FIYWTHMPSA-N 2 0 208.349 1.764 20 0 BDADRP C[C@@H]1C[C@@H](C[NH+]2CCC(C)([NH3+])CC2)CC[NH2+]1 ZINC000647531012 384623601 /nfs/dbraw/zinc/62/36/01/384623601.db2.gz WDAHRSOYJDOWSC-NEPJUHHUSA-N 3 0 225.380 1.188 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000309781192 384598280 /nfs/dbraw/zinc/59/82/80/384598280.db2.gz RFNCPBLWJUUSSS-UPJWGTAASA-N 2 0 228.380 1.731 20 0 BDADRP C[C@H](O)CC[NH2+]Cc1ncc(CN(C)C)s1 ZINC000309850498 384667074 /nfs/dbraw/zinc/66/70/74/384667074.db2.gz IURZXMAFBOMDNN-VIFPVBQESA-N 2 0 243.376 1.065 20 0 BDADRP CC(C)(C)[NH2+]CCN1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000647534623 384646296 /nfs/dbraw/zinc/64/62/96/384646296.db2.gz SATGSQAQFUWTEY-NEPJUHHUSA-N 2 0 225.380 1.058 20 0 BDADRP CCC1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)COC1 ZINC000309835250 384653670 /nfs/dbraw/zinc/65/36/70/384653670.db2.gz AYCXUZQNRRQXDM-NWDGAFQWSA-N 2 0 226.364 1.485 20 0 BDADRP CC1(F)CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000258787536 384659348 /nfs/dbraw/zinc/65/93/48/384659348.db2.gz GLTYYRDNMQWTHC-LLVKDONJSA-N 2 0 214.328 1.810 20 0 BDADRP C[C@H](O)CCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000300364877 384698302 /nfs/dbraw/zinc/69/83/02/384698302.db2.gz HWPDECDKAHVVJU-FVCCEPFGSA-N 2 0 228.380 1.466 20 0 BDADRP CC(C)(N)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543197 384712522 /nfs/dbraw/zinc/71/25/22/384712522.db2.gz JFLKSSPHNLVXEF-CHWSQXEVSA-N 2 0 239.407 1.435 20 0 BDADRP COC[C@@H](C)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000647554238 384773516 /nfs/dbraw/zinc/77/35/16/384773516.db2.gz UYJOZESSVCDFDY-NWDGAFQWSA-N 2 0 226.364 1.533 20 0 BDADRP CC(C)C[C@H](CN)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647546163 384730343 /nfs/dbraw/zinc/73/03/43/384730343.db2.gz BVJQFDNQDXTROZ-XJFOESAGSA-N 2 0 239.407 1.338 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](NCC2([NH3+])CCCCC2)C1 ZINC000647546544 384730573 /nfs/dbraw/zinc/73/05/73/384730573.db2.gz ORIZXKOBGIOGMC-RYUDHWBXSA-N 2 0 225.380 1.236 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](N[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000647546193 384730780 /nfs/dbraw/zinc/73/07/80/384730780.db2.gz DISIBYGPEAARIW-RVMXOQNASA-N 2 0 225.380 1.092 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@H]1C[NH2+]C[C@H](C)C1 ZINC000647546435 384731245 /nfs/dbraw/zinc/73/12/45/384731245.db2.gz KEONGSRUONHBML-IJLUTSLNSA-N 2 0 213.369 1.092 20 0 BDADRP c1cc2c(c(C[NH2+][C@H]3CCC[NH2+]CC3)c1)NCC2 ZINC000647546918 384732432 /nfs/dbraw/zinc/73/24/32/384732432.db2.gz HEBMBMWCCANIPR-AWEZNQCLSA-N 2 0 245.370 1.886 20 0 BDADRP c1cc2c(c(C[NH2+][C@@H]3CCC[NH2+]CC3)c1)NCC2 ZINC000647546919 384734274 /nfs/dbraw/zinc/73/42/74/384734274.db2.gz HEBMBMWCCANIPR-CQSZACIVSA-N 2 0 245.370 1.886 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(N)nc1 ZINC000647546894 384734717 /nfs/dbraw/zinc/73/47/17/384734717.db2.gz GFCHCUDAXGBDKO-JTQLQIEISA-N 2 0 222.336 1.101 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@H]2CCn3ccnc32)CC1 ZINC000335953904 384737491 /nfs/dbraw/zinc/73/74/91/384737491.db2.gz GXVIGQLBZFOWRO-LBPRGKRZSA-N 2 0 234.347 1.259 20 0 BDADRP C1CC2(C1)C[C@H](N[C@H]1CCC[NH2+]C1)CC[NH2+]2 ZINC000647547820 384749501 /nfs/dbraw/zinc/74/95/01/384749501.db2.gz GMNMFDBCGOAMJI-NEPJUHHUSA-N 2 0 223.364 1.003 20 0 BDADRP C(N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000647547984 384749860 /nfs/dbraw/zinc/74/98/60/384749860.db2.gz QFSJTMDDAPFTEU-CHWSQXEVSA-N 2 0 237.391 1.250 20 0 BDADRP CS[C@H](CO)[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000300396569 384749967 /nfs/dbraw/zinc/74/99/67/384749967.db2.gz FJHAHZZJRYMPKO-WHOHXGKFSA-N 2 0 246.420 1.206 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000300396139 384750342 /nfs/dbraw/zinc/75/03/42/384750342.db2.gz ZOFMIKFPLXVOGC-YNEHKIRRSA-N 2 0 228.380 1.467 20 0 BDADRP CCC[N@H+](C)CC(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000449626043 384754332 /nfs/dbraw/zinc/75/43/32/384754332.db2.gz USNKMBNJDXPLJX-UHFFFAOYSA-N 2 0 249.358 1.686 20 0 BDADRP Cc1cc(N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc[nH+]1 ZINC000334998022 384761914 /nfs/dbraw/zinc/76/19/14/384761914.db2.gz MXYXCDCRMRMPSN-BETUJISGSA-N 2 0 231.343 1.826 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC000309986453 384767949 /nfs/dbraw/zinc/76/79/49/384767949.db2.gz YMQWNUGIIBWUOT-YNEHKIRRSA-N 2 0 228.380 1.730 20 0 BDADRP CC(C)[C@@H](O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000335571629 384770908 /nfs/dbraw/zinc/77/09/08/384770908.db2.gz QHHDVLIENWCSOO-QWHCGFSZSA-N 2 0 226.364 1.031 20 0 BDADRP Cc1cccc2nc(CC[NH2+]CC(C)(C)[NH3+])cn21 ZINC000647554158 384770980 /nfs/dbraw/zinc/77/09/80/384770980.db2.gz SDUDJJVQEQZEOL-UHFFFAOYSA-N 2 0 246.358 1.512 20 0 BDADRP COC[C@H](C)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000647554237 384772437 /nfs/dbraw/zinc/77/24/37/384772437.db2.gz UYJOZESSVCDFDY-NEPJUHHUSA-N 2 0 226.364 1.533 20 0 BDADRP [NH3+]Cc1ccc(CNC(=O)CC2([NH3+])CCC2)cc1 ZINC000648201707 384824250 /nfs/dbraw/zinc/82/42/50/384824250.db2.gz CXTCSKYVFAOTKT-UHFFFAOYSA-N 2 0 247.342 1.033 20 0 BDADRP C[C@@H]([NH3+])CN(C)Cc1ccc(F)c(F)c1 ZINC000128553218 384951669 /nfs/dbraw/zinc/95/16/69/384951669.db2.gz DZVJHHSASQEPHL-MRVPVSSYSA-N 2 0 214.259 1.744 20 0 BDADRP CC(C)C[C@H](CNC(=O)[C@H](C)[C@@H](C)[NH3+])[NH+](C)C ZINC000156772460 384954162 /nfs/dbraw/zinc/95/41/62/384954162.db2.gz NUDRSZRLAFNYFK-IJLUTSLNSA-N 2 0 243.395 1.062 20 0 BDADRP C[C@H](CF)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000306366820 384898222 /nfs/dbraw/zinc/89/82/22/384898222.db2.gz JWHTUYWVFHYVCL-GMTAPVOTSA-N 2 0 200.301 1.561 20 0 BDADRP C[N@H+](CCC[NH2+][C@@H]1CCOC1)Cc1ccccc1 ZINC000104063429 384924143 /nfs/dbraw/zinc/92/41/43/384924143.db2.gz HWCPJWLFPNIDIX-OAHLLOKOSA-N 2 0 248.370 1.887 20 0 BDADRP C[C@@H](O)C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000644521927 384926871 /nfs/dbraw/zinc/92/68/71/384926871.db2.gz DDWMCUVGZXENSK-CHWSQXEVSA-N 2 0 228.380 1.469 20 0 BDADRP C[C@@H](O)CC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000257771799 384928032 /nfs/dbraw/zinc/92/80/32/384928032.db2.gz NUDXLNCMMHYRMG-VXGBXAGGSA-N 2 0 214.353 1.173 20 0 BDADRP CN1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400989541 384959751 /nfs/dbraw/zinc/95/97/51/384959751.db2.gz XSTVEHIHMGUNOC-REWJHTLYSA-N 2 0 237.391 1.058 20 0 BDADRP C[C@@H](O)C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000644519249 384932888 /nfs/dbraw/zinc/93/28/88/384932888.db2.gz BUYCKKKPDJPFGO-CYBMUJFWSA-N 2 0 248.370 1.753 20 0 BDADRP COc1cc([C@H](C)[NH2+]C[C@@H]2CCCN2C)ccn1 ZINC000564660549 384941121 /nfs/dbraw/zinc/94/11/21/384941121.db2.gz KGGRTHTUEQHPEM-AAEUAGOBSA-N 2 0 249.358 1.835 20 0 BDADRP CC(C)(C[NH2+][C@H]1CCC[C@H]1[NH3+])c1cccnc1 ZINC000259221232 384960453 /nfs/dbraw/zinc/96/04/53/384960453.db2.gz XOLHKZZQMZULET-OLZOCXBDSA-N 2 0 233.359 1.829 20 0 BDADRP C[NH+]1CCC(CC[NH2+]CC2(O)CCC2)CC1 ZINC000644539763 384947409 /nfs/dbraw/zinc/94/74/09/384947409.db2.gz RCOSIHOCXDHISO-UHFFFAOYSA-N 2 0 226.364 1.223 20 0 BDADRP Cc1c(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cnn1C ZINC000226305837 384967251 /nfs/dbraw/zinc/96/72/51/384967251.db2.gz JWERTSAQBZOYCD-AAEUAGOBSA-N 2 0 236.363 1.336 20 0 BDADRP [NH3+]CC[C@H]1CCCCN1Cc1ccns1 ZINC000404486506 385021343 /nfs/dbraw/zinc/02/13/43/385021343.db2.gz CFYZSPSKMRJYEK-SNVBAGLBSA-N 2 0 225.361 1.846 20 0 BDADRP Cc1nc(CC[NH2+]C[C@H]2CCC[NH2+]C2)cs1 ZINC000226316266 384972899 /nfs/dbraw/zinc/97/28/99/384972899.db2.gz UENRLMXKDJVKFY-NSHDSACASA-N 2 0 239.388 1.583 20 0 BDADRP CC[C@@H](O)C[NH2+]CCC1CC[NH+](CC)CC1 ZINC000644576596 384977991 /nfs/dbraw/zinc/97/79/91/384977991.db2.gz FEZSMRCWCNOYOJ-CYBMUJFWSA-N 2 0 228.380 1.469 20 0 BDADRP CC[NH+](CC)CCOCC[NH2+]C1CCCC1 ZINC000309982188 384991915 /nfs/dbraw/zinc/99/19/15/384991915.db2.gz WQELJAFVTBIBQU-UHFFFAOYSA-N 2 0 228.380 1.877 20 0 BDADRP CC[C@@H](C)N(C)CC[NH2+][C@H](C)CCCC[NH3+] ZINC000336681278 385001145 /nfs/dbraw/zinc/00/11/45/385001145.db2.gz YBFXXNCMRKOWLV-CHWSQXEVSA-N 2 0 229.412 1.824 20 0 BDADRP CC[C@@H](C)[N@H+](C)CCNc1cc(C)ncn1 ZINC000226388699 385007211 /nfs/dbraw/zinc/00/72/11/385007211.db2.gz LUIAMQJGQKCACG-LLVKDONJSA-N 2 0 222.336 1.927 20 0 BDADRP C[N@@H+]1CCC[C@@H](CNCc2ccns2)C1 ZINC000404466612 385013251 /nfs/dbraw/zinc/01/32/51/385013251.db2.gz XVXHYTUMCLKFKM-JTQLQIEISA-N 2 0 225.361 1.575 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CCCN(Cc2ccns2)C1 ZINC000404489644 385019473 /nfs/dbraw/zinc/01/94/73/385019473.db2.gz GQQYDGSOJAYVNA-NXEZZACHSA-N 2 0 225.361 1.702 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CCCN(Cc2ccns2)C1 ZINC000404489650 385019732 /nfs/dbraw/zinc/01/97/32/385019732.db2.gz GQQYDGSOJAYVNA-ZJUUUORDSA-N 2 0 225.361 1.702 20 0 BDADRP COC[C@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000226438074 385020331 /nfs/dbraw/zinc/02/03/31/385020331.db2.gz DJWXGWALWMAJOS-OLZOCXBDSA-N 2 0 226.364 1.344 20 0 BDADRP [NH3+]Cc1ccc(-c2nc(C3([NH3+])CCCC3)no2)o1 ZINC000647135620 385084103 /nfs/dbraw/zinc/08/41/03/385084103.db2.gz ZHZVHJWVZXMRQQ-UHFFFAOYSA-N 2 0 248.286 1.516 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cccc2c1OCO2 ZINC000310441262 385063194 /nfs/dbraw/zinc/06/31/94/385063194.db2.gz VTWVGIYHTKRYRQ-JTQLQIEISA-N 2 0 236.315 1.632 20 0 BDADRP CC[C@H]([NH2+][C@H]1C[C@H](C)N(C2CC2)C1)C(C)(C)O ZINC000340498657 385075927 /nfs/dbraw/zinc/07/59/27/385075927.db2.gz ABXWIBKFCCRSHT-GVXVVHGQSA-N 2 0 240.391 1.751 20 0 BDADRP CC[C@@H](O)C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000644632142 385042775 /nfs/dbraw/zinc/04/27/75/385042775.db2.gz WIHWRRCPZWGQED-GFCCVEGCSA-N 2 0 228.380 1.469 20 0 BDADRP C[C@](O)(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000310403647 385043461 /nfs/dbraw/zinc/04/34/61/385043461.db2.gz LFZDCBIZEWOIRL-RDBSUJKOSA-N 2 0 238.375 1.364 20 0 BDADRP CC[C@H](O)C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000644632143 385044409 /nfs/dbraw/zinc/04/44/09/385044409.db2.gz WIHWRRCPZWGQED-LBPRGKRZSA-N 2 0 228.380 1.469 20 0 BDADRP C[C@@H](C[NH2+][C@@H](C)CCC[NH3+])C[NH+]1CCCCC1 ZINC000310403436 385044614 /nfs/dbraw/zinc/04/46/14/385044614.db2.gz NQTKBZDUKILNGI-KBPBESRZSA-N 3 0 241.423 1.825 20 0 BDADRP C1C[N@@H+]2CCCC[C@@H]2[C@@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000227255409 385111030 /nfs/dbraw/zinc/11/10/30/385111030.db2.gz LQWIXPSFASFBFS-MGPQQGTHSA-N 2 0 237.391 1.345 20 0 BDADRP C([C@H]1CCC[NH2+]C1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000227374658 385124203 /nfs/dbraw/zinc/12/42/03/385124203.db2.gz DQBYNFUWAIGCSJ-UONOGXRCSA-N 2 0 237.391 1.156 20 0 BDADRP C[C@H](O)[C@H](C)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000644669254 385086700 /nfs/dbraw/zinc/08/67/00/385086700.db2.gz OJPWQOCIMXHOCR-SRVKXCTJSA-N 2 0 214.353 1.077 20 0 BDADRP CO[C@](C)(C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC000310486013 385087814 /nfs/dbraw/zinc/08/78/14/385087814.db2.gz DXRZHMLBGLGBSG-FPMFFAJLSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCCN2CC[NH+](C)CC2)[C@H]1C ZINC000310516909 385102617 /nfs/dbraw/zinc/10/26/17/385102617.db2.gz MOZSUCVUMXMFJB-HZSPNIEDSA-N 2 0 239.407 1.258 20 0 BDADRP Cn1ncc2c1CCC[C@@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000129055570 385104166 /nfs/dbraw/zinc/10/41/66/385104166.db2.gz HZRJNHJWUYWZDB-AAEUAGOBSA-N 2 0 248.374 1.529 20 0 BDADRP CC[NH+](CC)C[C@@H](C)N[C@H](C)[C@H]1CCC[NH2+]1 ZINC000422712558 385196953 /nfs/dbraw/zinc/19/69/53/385196953.db2.gz INWDJZKYMWWXOZ-JHJVBQTASA-N 2 0 227.396 1.447 20 0 BDADRP CC[NH+](CC)CC(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000157364191 385151565 /nfs/dbraw/zinc/15/15/65/385151565.db2.gz IOXZGMUXWPMJKN-ZDUSSCGKSA-N 2 0 243.395 1.208 20 0 BDADRP c1cc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)n[nH]1 ZINC000647480686 385169167 /nfs/dbraw/zinc/16/91/67/385169167.db2.gz XHNAPRILTWCXKV-YPMHNXCESA-N 2 0 234.347 1.374 20 0 BDADRP CCCCOCC[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000404916712 385174211 /nfs/dbraw/zinc/17/42/11/385174211.db2.gz WOTPBDGGABEBAW-WDEREUQCSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@H]([NH2+]C1CCSCC1)[C@H]1CCC[NH2+]1 ZINC000306712917 385174212 /nfs/dbraw/zinc/17/42/12/385174212.db2.gz AEKTYWMBTLLEHD-GXSJLCMTSA-N 2 0 214.378 1.612 20 0 BDADRP Cn1cncc1CN(CCO)Cc1ccccc1 ZINC000090233478 385218235 /nfs/dbraw/zinc/21/82/35/385218235.db2.gz ZEZFPVCVGJUHAU-UHFFFAOYSA-N 2 0 245.326 1.415 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)CC[NH+](C)C ZINC000308860086 385223103 /nfs/dbraw/zinc/22/31/03/385223103.db2.gz PBPJJBWTVOEANP-VXGBXAGGSA-N 3 0 215.385 1.434 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](CC2CCOCC2)C1 ZINC000052173126 385227335 /nfs/dbraw/zinc/22/73/35/385227335.db2.gz RLCCUHPOBSJENK-LBPRGKRZSA-N 2 0 212.337 1.084 20 0 BDADRP CCCCOCC[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000045107894 385244834 /nfs/dbraw/zinc/24/48/34/385244834.db2.gz MJCCCHNWIOXSDQ-LLVKDONJSA-N 2 0 200.326 1.084 20 0 BDADRP [NH3+]CCCC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000647085141 385248525 /nfs/dbraw/zinc/24/85/25/385248525.db2.gz QTMODPOFEQOUTA-CYBMUJFWSA-N 2 0 249.358 1.322 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)CCC(C)(C)[NH3+] ZINC000647648803 385251116 /nfs/dbraw/zinc/25/11/16/385251116.db2.gz HUTPWDJFODCUFA-GHMZBOCLSA-N 2 0 241.379 1.232 20 0 BDADRP OCCCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000157903236 385305645 /nfs/dbraw/zinc/30/56/45/385305645.db2.gz QXHPLKBNBOBDOP-STQMWFEESA-N 2 0 226.364 1.365 20 0 BDADRP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@H]1CCCN1C ZINC000178650579 385311664 /nfs/dbraw/zinc/31/16/64/385311664.db2.gz PSRNUIWOKANYRK-ZYHUDNBSSA-N 2 0 236.363 1.473 20 0 BDADRP CC(C)([NH3+])CCc1nc(C2([NH3+])CCC2)no1 ZINC000647140478 385261816 /nfs/dbraw/zinc/26/18/16/385261816.db2.gz UXUNJLHXHLKHHN-UHFFFAOYSA-N 2 0 224.308 1.077 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)CC2([NH3+])CCC2)c1 ZINC000647096272 385289304 /nfs/dbraw/zinc/28/93/04/385289304.db2.gz UXTGSMILLXOKNF-UHFFFAOYSA-N 2 0 247.342 1.664 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000157839985 385295805 /nfs/dbraw/zinc/29/58/05/385295805.db2.gz WAFJYAZLLNGTOU-UTUOFQBUSA-N 2 0 241.379 1.103 20 0 BDADRP C[C@H](C[NH2+][C@H](C)[C@H]1CCOC1)C[NH+](C)C ZINC000308925291 385296337 /nfs/dbraw/zinc/29/63/37/385296337.db2.gz PYIILOZQSVLNAV-UTUOFQBUSA-N 2 0 214.353 1.199 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)C[C@@H]2CC[NH2+]C2)cc1 ZINC000189906914 385323771 /nfs/dbraw/zinc/32/37/71/385323771.db2.gz IYXBEAHMUNNSSR-QWRGUYRKSA-N 2 0 247.342 1.644 20 0 BDADRP CCOC(=O)CC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000158081568 385334802 /nfs/dbraw/zinc/33/48/02/385334802.db2.gz HTNYYIGEUYCTQX-LBPRGKRZSA-N 2 0 242.363 1.213 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@H]2CCN(C)C[C@@H]21)C1CC1 ZINC000425455241 385337984 /nfs/dbraw/zinc/33/79/84/385337984.db2.gz HPZBJNROEZEAKL-KWCYVHTRSA-N 2 0 238.375 1.437 20 0 BDADRP CC[C@]1(C(=O)Nc2ccc(C[NH3+])cc2)CCC[NH2+]1 ZINC000131741319 385357561 /nfs/dbraw/zinc/35/75/61/385357561.db2.gz MEMOALJCRXEJMA-CQSZACIVSA-N 2 0 247.342 1.616 20 0 BDADRP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1cccc(O)c1 ZINC000309004607 385365104 /nfs/dbraw/zinc/36/51/04/385365104.db2.gz TVBVJBRYFYLFDJ-VHSXEESVSA-N 2 0 208.305 1.638 20 0 BDADRP Cc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)nc1 ZINC000228061579 385325124 /nfs/dbraw/zinc/32/51/24/385325124.db2.gz DBSWSTIUFVOFMN-NEPJUHHUSA-N 2 0 219.332 1.559 20 0 BDADRP C[C@@H]1[C@@H]([NH2+]C[C@H]2CCSC2)CCCN1C ZINC000309096048 385407337 /nfs/dbraw/zinc/40/73/37/385407337.db2.gz CUZXHMNRCUQJML-UTUOFQBUSA-N 2 0 228.405 1.812 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CC[C@@H]1[NH3+] ZINC000647497726 385407555 /nfs/dbraw/zinc/40/75/55/385407555.db2.gz SNSADKUQHBWWJJ-SYQHCUMBSA-N 3 0 239.407 1.434 20 0 BDADRP CC[C@@H]1CN(CC[NH2+]C(C)(C)C)CC[C@H]1[NH3+] ZINC000647497837 385408653 /nfs/dbraw/zinc/40/86/53/385408653.db2.gz WYYNXAKOLKMDLY-VXGBXAGGSA-N 2 0 227.396 1.434 20 0 BDADRP CC[C@H]1CN(Cc2ccc(N)nc2)CC[C@H]1[NH3+] ZINC000647498957 385423518 /nfs/dbraw/zinc/42/35/18/385423518.db2.gz UXDGBYKHROMTRH-NWDGAFQWSA-N 2 0 234.347 1.053 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@H]1CN(C)C[C@H]1C ZINC000309174200 385449696 /nfs/dbraw/zinc/44/96/96/385449696.db2.gz MCSKUUHSZTXCMF-WOPDTQHZSA-N 2 0 214.353 1.077 20 0 BDADRP C[C@@H](CNC1CC[NH+](C2CC2)CC1)[NH+](C)C ZINC000309205046 385480231 /nfs/dbraw/zinc/48/02/31/385480231.db2.gz CELCAXUDYGUFFM-NSHDSACASA-N 2 0 225.380 1.153 20 0 BDADRP C[C@@H](C[NH2+]C[C@H]1CCCOC1)C[NH+]1CCCC1 ZINC000111320514 385501049 /nfs/dbraw/zinc/50/10/49/385501049.db2.gz UIINNTMWFSNSFA-UONOGXRCSA-N 2 0 240.391 1.735 20 0 BDADRP COC[C@@]1(C[NH2+][C@@H](C)CC(C)C)CCC[NH2+]1 ZINC000309267481 385504959 /nfs/dbraw/zinc/50/49/59/385504959.db2.gz CZLFIEUQIUWXRG-STQMWFEESA-N 2 0 228.380 1.779 20 0 BDADRP c1cn2c(n1)C[C@H]([NH2+]C[C@H]1CCSC1)CC2 ZINC000309337578 385538526 /nfs/dbraw/zinc/53/85/26/385538526.db2.gz AXQGLEXKCOQEGC-GHMZBOCLSA-N 2 0 237.372 1.541 20 0 BDADRP CC(C)[NH2+]C1CC[NH+](CCCCCO)CC1 ZINC000173309786 385553513 /nfs/dbraw/zinc/55/35/13/385553513.db2.gz VGKCLWCPGLNZPU-UHFFFAOYSA-N 2 0 228.380 1.611 20 0 BDADRP c1ccc(OCCC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107579268 385569885 /nfs/dbraw/zinc/56/98/85/385569885.db2.gz VDYTZMJYOIMZFY-KBPBESRZSA-N 2 0 246.354 1.607 20 0 BDADRP Cc1nocc1C[NH2+]CCCC[NH+](C)C ZINC000293445015 385603724 /nfs/dbraw/zinc/60/37/24/385603724.db2.gz CEQLGKFXFHCNRT-UHFFFAOYSA-N 2 0 211.309 1.414 20 0 BDADRP COC1CCC([NH2+]CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000414847943 385603761 /nfs/dbraw/zinc/60/37/61/385603761.db2.gz WLZXYWBATMNAOV-HSBZDZAISA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H](CO)c1ccccc1 ZINC000309440221 385582874 /nfs/dbraw/zinc/58/28/74/385582874.db2.gz NWJKXPRWMWNWPL-DGCLKSJQSA-N 2 0 222.332 1.437 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CC(=O)NC(C)(C)C ZINC000336648703 385587324 /nfs/dbraw/zinc/58/73/24/385587324.db2.gz GIJBYXBCRUATAK-JTQLQIEISA-N 2 0 229.368 1.008 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCN2CCCC[C@@H]12 ZINC000309459425 385590982 /nfs/dbraw/zinc/59/09/82/385590982.db2.gz RLVHBXXXSOYWAR-AGIUHOORSA-N 3 0 225.380 1.330 20 0 BDADRP C[C@H]([NH2+][C@H]1CCCSC1)[C@H]1CCC[NH2+]C1 ZINC000414849107 385616799 /nfs/dbraw/zinc/61/67/99/385616799.db2.gz HDDLHIHCJWVYKQ-SRVKXCTJSA-N 2 0 228.405 1.860 20 0 BDADRP CCOC[C@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000309489063 385619689 /nfs/dbraw/zinc/61/96/89/385619689.db2.gz WLNWPPXSYMOCBT-HIFPTAJRSA-N 2 0 228.380 1.874 20 0 BDADRP Cc1n[nH]cc1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000108283664 385631169 /nfs/dbraw/zinc/63/11/69/385631169.db2.gz IXHHFCDZORYJGS-QWHCGFSZSA-N 2 0 234.347 1.435 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CCCOCC1CC1 ZINC000336681205 385636032 /nfs/dbraw/zinc/63/60/32/385636032.db2.gz IZSJBPMLFCDVDI-NSHDSACASA-N 2 0 214.353 1.520 20 0 BDADRP [NH3+]CC1CCC([NH2+]CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000414850990 385646767 /nfs/dbraw/zinc/64/67/67/385646767.db2.gz ZZJYSXROZFCDGH-MOKVOYLWSA-N 3 0 239.407 1.483 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000336734590 385662818 /nfs/dbraw/zinc/66/28/18/385662818.db2.gz KWFXWXMJGSRBQV-XQQFMLRXSA-N 2 0 228.380 1.610 20 0 BDADRP CCn1nccc1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414852613 385681829 /nfs/dbraw/zinc/68/18/29/385681829.db2.gz QIQSJZMSCLBIMQ-GFCCVEGCSA-N 2 0 236.363 1.382 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+]C1CCC(C(=O)OC)CC1 ZINC000414853530 385688992 /nfs/dbraw/zinc/68/89/92/385688992.db2.gz STLFNVKEWKIVOD-UNXYVOJBSA-N 2 0 242.363 1.163 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000336685413 385691249 /nfs/dbraw/zinc/69/12/49/385691249.db2.gz UDIFBPHYQAVZLN-RWMBFGLXSA-N 2 0 228.380 1.181 20 0 BDADRP CC[NH+](CC)CCN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000221722495 385693738 /nfs/dbraw/zinc/69/37/38/385693738.db2.gz VEIMBFKICSQDQR-STQMWFEESA-N 2 0 227.396 1.401 20 0 BDADRP C[NH2+]C[C@H](C)CN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000414855124 385699002 /nfs/dbraw/zinc/69/90/02/385699002.db2.gz WHEALRPBFKISBH-IHRRRGAJSA-N 2 0 241.423 1.742 20 0 BDADRP CCN1CC[C@@H]([NH2+]Cc2ccccc2N(C)C)C1 ZINC000414540934 385703792 /nfs/dbraw/zinc/70/37/92/385703792.db2.gz HUFPFAQMZDTWDG-CQSZACIVSA-N 2 0 247.386 1.936 20 0 BDADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000337461129 385671209 /nfs/dbraw/zinc/67/12/09/385671209.db2.gz KLYZKCBMBNHDQQ-BFHYXJOUSA-N 2 0 240.391 1.733 20 0 BDADRP Cc1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ncn1 ZINC000647793773 385728069 /nfs/dbraw/zinc/72/80/69/385728069.db2.gz HXRKPLKLJQOFMJ-FRRDWIJNSA-N 2 0 246.358 1.263 20 0 BDADRP CCC[NH+]1CCC(NCCC[NH2+]C)CC1 ZINC000414858406 385734625 /nfs/dbraw/zinc/73/46/25/385734625.db2.gz IYSGNKNVFIGIHA-UHFFFAOYSA-N 2 0 213.369 1.060 20 0 BDADRP COC[C@@H](CC(C)C)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414859841 385738533 /nfs/dbraw/zinc/73/85/33/385738533.db2.gz UTJPCQFQCPCAQN-QWHCGFSZSA-N 2 0 228.380 1.637 20 0 BDADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[NH+](CC)CC ZINC000341691963 385746132 /nfs/dbraw/zinc/74/61/32/385746132.db2.gz CYSIYUXKVLCUKT-LBPRGKRZSA-N 2 0 243.395 1.175 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCCN1C ZINC000336699828 385758120 /nfs/dbraw/zinc/75/81/20/385758120.db2.gz OYBDHCWRMSAYON-NEPJUHHUSA-N 2 0 213.369 1.188 20 0 BDADRP CC[C@@H](COC)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000336699651 385759497 /nfs/dbraw/zinc/75/94/97/385759497.db2.gz WUAALTMPLMDUKC-MNOVXSKESA-N 2 0 202.342 1.199 20 0 BDADRP CC(C)[C@@H]1CCC[C@@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000414866042 385778544 /nfs/dbraw/zinc/77/85/44/385778544.db2.gz DSKIDXDCOGSXOB-KBPBESRZSA-N 2 0 239.407 1.306 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000647797738 385788167 /nfs/dbraw/zinc/78/81/67/385788167.db2.gz AGKBKJGHTWTPFO-FOUMNBMASA-N 2 0 208.349 1.763 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCCSC2)CC[NH2+]1 ZINC000414945145 385800650 /nfs/dbraw/zinc/80/06/50/385800650.db2.gz HXTWCVGDDXTAQZ-MXWKQRLJSA-N 2 0 214.378 1.612 20 0 BDADRP O[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647799713 385803230 /nfs/dbraw/zinc/80/32/30/385803230.db2.gz OSLLZSVYYPYVPX-MBJXGIAVSA-N 2 0 238.375 1.125 20 0 BDADRP CCC[NH2+]CC[NH2+]C1CCC(OC)CC1 ZINC000414867833 385812933 /nfs/dbraw/zinc/81/29/33/385812933.db2.gz JKZMZPJQEPDHKH-UHFFFAOYSA-N 2 0 214.353 1.533 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414951275 385820342 /nfs/dbraw/zinc/82/03/42/385820342.db2.gz PMXBMYWCOZKXDG-FDYHWXHSSA-N 2 0 225.380 1.247 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)CO1 ZINC000647804808 385838925 /nfs/dbraw/zinc/83/89/25/385838925.db2.gz ZYHHOMSGCGHXDN-WHOHXGKFSA-N 2 0 212.337 1.142 20 0 BDADRP CC[NH2+][C@H](C)CN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000414956097 385839695 /nfs/dbraw/zinc/83/96/95/385839695.db2.gz NCBAEMNDRROYTI-MCIONIFRSA-N 2 0 241.423 1.885 20 0 BDADRP C[C@H]([NH2+]C[C@]1(O)CCN(C)C1)c1cccs1 ZINC000336740861 385839698 /nfs/dbraw/zinc/83/96/98/385839698.db2.gz MPQQVQWOCRMDTA-CMPLNLGQSA-N 2 0 240.372 1.465 20 0 BDADRP C[C@H]1SCC[C@H]1[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000647804187 385840359 /nfs/dbraw/zinc/84/03/59/385840359.db2.gz KYEOWSKAYOUSOY-WISYIIOYSA-N 2 0 228.405 1.858 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[C@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000647804547 385840632 /nfs/dbraw/zinc/84/06/32/385840632.db2.gz UANPTJLPGMHWBC-NWBUJAPZSA-N 2 0 208.349 1.905 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000414955142 385840855 /nfs/dbraw/zinc/84/08/55/385840855.db2.gz LJXUULZEUZOODI-UPJWGTAASA-N 2 0 228.380 1.778 20 0 BDADRP C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000647804186 385840854 /nfs/dbraw/zinc/84/08/54/385840854.db2.gz KYEOWSKAYOUSOY-RHYQMDGZSA-N 2 0 228.405 1.858 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCS[C@@H]1C)C1C[NH2+]C1 ZINC000647804174 385840863 /nfs/dbraw/zinc/84/08/63/385840863.db2.gz KQJFBEXCNDLTOJ-QXFUBDJGSA-N 2 0 200.351 1.078 20 0 BDADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)CC[NH3+])cc1 ZINC000262458174 385849741 /nfs/dbraw/zinc/84/97/41/385849741.db2.gz URNDAWUTMPWICN-ZDUSSCGKSA-N 2 0 249.358 1.275 20 0 BDADRP C[C@H](C(=O)NC(C)(C)C[NH3+])[C@@H]([NH3+])c1ccccc1 ZINC000262499620 385852298 /nfs/dbraw/zinc/85/22/98/385852298.db2.gz GECCTSBMHBXJJA-CMPLNLGQSA-N 2 0 249.358 1.176 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647797840 385789026 /nfs/dbraw/zinc/78/90/26/385789026.db2.gz DQSBXICYQMQXIL-RYMFRWLXSA-N 2 0 238.375 1.532 20 0 BDADRP C1[NH2+]C[C@H]2CC[C@@H]([NH2+][C@H]3CCCOC3)C[C@@H]12 ZINC000647798155 385792825 /nfs/dbraw/zinc/79/28/25/385792825.db2.gz MOVFYQAHRIOBOL-XQHKEYJVSA-N 2 0 224.348 1.143 20 0 BDADRP CC[C@@H](C)NC(=O)CC[NH2+][C@@H](C)CCCC[NH3+] ZINC000336707451 385794520 /nfs/dbraw/zinc/79/45/20/385794520.db2.gz LTVKCSGGOMSIBU-NEPJUHHUSA-N 2 0 243.395 1.398 20 0 BDADRP CO[C@@](C)(C[N@@H+]1CC[C@@H](C[NH+](C)C)C1)C1CC1 ZINC000638076899 385795274 /nfs/dbraw/zinc/79/52/74/385795274.db2.gz OSNZQNAMEQRXJP-JSGCOSHPSA-N 2 0 240.391 1.685 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+]C[C@H]1CCO[C@@H](CC)C1 ZINC000414962913 385889129 /nfs/dbraw/zinc/88/91/29/385889129.db2.gz SXXKKZDUAZQFNG-AGIUHOORSA-N 2 0 228.380 1.779 20 0 BDADRP Fc1cncc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c1 ZINC000414962363 385891885 /nfs/dbraw/zinc/89/18/85/385891885.db2.gz JPRHOSZCLRJGSE-CYBMUJFWSA-N 2 0 237.322 1.843 20 0 BDADRP C[C@H]1C[N@H+](CCCC2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000647844875 385894488 /nfs/dbraw/zinc/89/44/88/385894488.db2.gz YOWRHUNDKFGXFH-GXTWGEPZSA-N 3 0 239.407 1.435 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)Cc1ccccc1F ZINC000414876598 385908521 /nfs/dbraw/zinc/90/85/21/385908521.db2.gz LTUDCHJYNZLMRB-MNOVXSKESA-N 2 0 224.323 1.941 20 0 BDADRP FC(F)[C@H]1C[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000393413509 385917332 /nfs/dbraw/zinc/91/73/32/385917332.db2.gz BUTLZFDGGLYDDM-ZNSHCXBVSA-N 2 0 230.302 1.856 20 0 BDADRP C([NH2+][C@@H]1CCCC12CCOCC2)[C@@H]1CCC[NH2+]1 ZINC000335033082 385920763 /nfs/dbraw/zinc/92/07/63/385920763.db2.gz OMBRXTSFGUODGO-QWHCGFSZSA-N 2 0 238.375 1.677 20 0 BDADRP C[C@@H]([NH2+][C@H]1COc2ccccc2C1)C1C[NH2+]C1 ZINC000335032724 385921641 /nfs/dbraw/zinc/92/16/41/385921641.db2.gz YUVDBKQMKVPQCI-ZWNOBZJWSA-N 2 0 232.327 1.188 20 0 BDADRP Cc1ccc(O)c(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)n1 ZINC000414966876 385925756 /nfs/dbraw/zinc/92/57/56/385925756.db2.gz WQXBXNQLGAIMEH-GXSJLCMTSA-N 2 0 235.331 1.183 20 0 BDADRP Cc1cccn2c(C[NH2+]C[C@H](C)C[NH3+])cnc12 ZINC000414872081 385862721 /nfs/dbraw/zinc/86/27/21/385862721.db2.gz FDPPPHGKISUDOI-SNVBAGLBSA-N 2 0 232.331 1.327 20 0 BDADRP CCCN(C(=O)CCC(C)(C)[NH3+])[C@H]1CC[NH2+]C1 ZINC000647767623 385880941 /nfs/dbraw/zinc/88/09/41/385880941.db2.gz WMCFCBUTVQKTOT-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP CCCN(C(=O)CCC(C)(C)[NH3+])[C@@H]1CC[NH2+]C1 ZINC000647767622 385881792 /nfs/dbraw/zinc/88/17/92/385881792.db2.gz WMCFCBUTVQKTOT-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CC[C@H](CO)[C@H]1C ZINC000338355404 385978193 /nfs/dbraw/zinc/97/81/93/385978193.db2.gz JJHKGQBUTSPWPV-CHWSQXEVSA-N 2 0 228.380 1.421 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C(=O)N[C@H]2CCC[NH2+]C2)cc1 ZINC000335018786 385978701 /nfs/dbraw/zinc/97/87/01/385978701.db2.gz KVDPOYIQJCREIK-MFKMUULPSA-N 2 0 247.342 1.188 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)CC[N@@H+]1C ZINC000335021090 385981145 /nfs/dbraw/zinc/98/11/45/385981145.db2.gz BCCGSEAGSIWXJC-OLZOCXBDSA-N 3 0 239.407 1.448 20 0 BDADRP C1C[C@@H]([NH2+][C@@H]2CC[NH2+]C2)C2(C1)CCOCC2 ZINC000335023214 385982778 /nfs/dbraw/zinc/98/27/78/385982778.db2.gz PKWSCETUJGNNBY-VXGBXAGGSA-N 2 0 224.348 1.287 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000295193799 385988710 /nfs/dbraw/zinc/98/87/10/385988710.db2.gz JJUTZBVANJRHFH-CQSZACIVSA-N 2 0 249.358 1.862 20 0 BDADRP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000295222903 385992520 /nfs/dbraw/zinc/99/25/20/385992520.db2.gz MWYVHRZQQXHLLS-MFKMUULPSA-N 2 0 249.358 1.718 20 0 BDADRP C[C@H]([NH2+]CCCC[NH+](C)C)[C@@]1(C)CCCO1 ZINC000336746582 385938818 /nfs/dbraw/zinc/93/88/18/385938818.db2.gz RMMPWLNXWBMJKR-QWHCGFSZSA-N 2 0 228.380 1.875 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1C[C@@H](O)C[C@H]1C ZINC000338280929 385944810 /nfs/dbraw/zinc/94/48/10/385944810.db2.gz VTSTWVJYMJJQLI-NEPJUHHUSA-N 2 0 214.353 1.173 20 0 BDADRP CC[NH+](CC)CCC[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC000338280145 385944903 /nfs/dbraw/zinc/94/49/03/385944903.db2.gz KFQFHISQMBZVAL-RYUDHWBXSA-N 2 0 214.353 1.031 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000338280141 385945344 /nfs/dbraw/zinc/94/53/44/385945344.db2.gz KFQFHISQMBZVAL-NEPJUHHUSA-N 2 0 214.353 1.031 20 0 BDADRP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)[C@@H]1C[C@@H]1C ZINC000414080231 385950750 /nfs/dbraw/zinc/95/07/50/385950750.db2.gz UKFJPBBVKKJJGD-FQUUOJAGSA-N 2 0 240.391 1.467 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CC[C@H](COC)C1 ZINC000338302114 385952074 /nfs/dbraw/zinc/95/20/74/385952074.db2.gz ALKBZYRERHPUBU-ZDUSSCGKSA-N 2 0 228.380 1.687 20 0 BDADRP CC[NH+](CC)CCC[N@H+](C)[C@@H]1CCCC[C@@H]1O ZINC000338305386 385953865 /nfs/dbraw/zinc/95/38/65/385953865.db2.gz JWWZXQOLDMPPLV-KGLIPLIRSA-N 2 0 242.407 1.954 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)Nc1ccc(C[NH3+])cc1 ZINC000295082714 385959022 /nfs/dbraw/zinc/95/90/22/385959022.db2.gz ILMBBZDRUNUBOL-ZDUSSCGKSA-N 2 0 235.331 1.601 20 0 BDADRP CC(C)CCOCC[NH+]1CCC(C)([NH3+])CC1 ZINC000647924670 385961770 /nfs/dbraw/zinc/96/17/70/385961770.db2.gz BHCUHSCKTXOOTJ-UHFFFAOYSA-N 2 0 228.380 1.862 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1NCC1([NH3+])CCCCC1 ZINC000335012371 385969443 /nfs/dbraw/zinc/96/94/43/385969443.db2.gz YYEDQMGYMHXRBV-CHWSQXEVSA-N 3 0 239.407 1.578 20 0 BDADRP C(CN1CCC2(CC[NH2+]2)CC1)[C@H]1CCC[NH2+]C1 ZINC000335015802 385973521 /nfs/dbraw/zinc/97/35/21/385973521.db2.gz CBMJHYJPFADUTI-CYBMUJFWSA-N 2 0 237.391 1.204 20 0 BDADRP CC(C)CCC[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000338430371 386000599 /nfs/dbraw/zinc/00/05/99/386000599.db2.gz KILDIWRVIBKLBE-AWEZNQCLSA-N 2 0 241.423 1.648 20 0 BDADRP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H](C)C[NH3+])o1 ZINC000414882352 386010573 /nfs/dbraw/zinc/01/05/73/386010573.db2.gz UCNUHUOEUFDOTD-SECBINFHSA-N 2 0 248.330 1.663 20 0 BDADRP Cc1ccc([C@@H]([NH3+])C(=O)N[C@@H](C)CCC[NH3+])cc1 ZINC000295320351 386011238 /nfs/dbraw/zinc/01/12/38/386011238.db2.gz WUIPTOZBFQRTOY-WCQYABFASA-N 2 0 249.358 1.238 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](CC2(OC)CCCC2)C1 ZINC000309485449 386012134 /nfs/dbraw/zinc/01/21/34/386012134.db2.gz GGRYRGITLKAINW-GFCCVEGCSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cn[nH]c1 ZINC000414169567 386016209 /nfs/dbraw/zinc/01/62/09/386016209.db2.gz BHCZEOUWFFXTTN-NWDGAFQWSA-N 2 0 236.363 1.792 20 0 BDADRP CC(C)n1cc(C[NH2+]C[C@@H](C)C[NH3+])cn1 ZINC000414882830 386019414 /nfs/dbraw/zinc/01/94/14/386019414.db2.gz UQAWMLNTXBYUHR-JTQLQIEISA-N 2 0 210.325 1.148 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000393903058 386024570 /nfs/dbraw/zinc/02/45/70/386024570.db2.gz ITHHUOWOUMUFOI-NMUGVGKYSA-N 2 0 232.318 1.958 20 0 BDADRP CCOC(=O)C1CCC([NH2+]C[C@@H]([NH3+])CC)CC1 ZINC000414977357 386032055 /nfs/dbraw/zinc/03/20/55/386032055.db2.gz JSHVSXRPJCSUFI-CXQJBGSLSA-N 2 0 242.363 1.435 20 0 BDADRP CC(C)[C@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCN1 ZINC000647929243 386036062 /nfs/dbraw/zinc/03/60/62/386036062.db2.gz VDNCNRXDYYOXFO-UONOGXRCSA-N 2 0 239.407 1.306 20 0 BDADRP C[NH2+]Cc1ccc(N[C@@H]2CCC[NH2+]C2)cc1 ZINC000414979230 386043697 /nfs/dbraw/zinc/04/36/97/386043697.db2.gz UHLAXSRSRRAUIX-CYBMUJFWSA-N 2 0 219.332 1.570 20 0 BDADRP Cc1n[nH]cc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414980966 386057568 /nfs/dbraw/zinc/05/75/68/386057568.db2.gz XMVVQDYVNWRGBL-LBPRGKRZSA-N 2 0 222.336 1.340 20 0 BDADRP C[C@H](C[NH+]1CCCCC1)N[C@@H]1CCC[NH2+]CC1 ZINC000129105827 386049921 /nfs/dbraw/zinc/04/99/21/386049921.db2.gz ZYRFIKIQNONVFH-ZIAGYGMSSA-N 2 0 239.407 1.593 20 0 BDADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H](C)[NH+](C)C ZINC000345316696 386102820 /nfs/dbraw/zinc/10/28/20/386102820.db2.gz ARMXJIPBZMTSTQ-WDEREUQCSA-N 2 0 243.395 1.219 20 0 BDADRP CC(C)(C)C[N@H+](CCO)CC1CC[NH2+]CC1 ZINC000648406141 386105839 /nfs/dbraw/zinc/10/58/39/386105839.db2.gz MEGCPRJLNGWFSE-UHFFFAOYSA-N 2 0 228.380 1.326 20 0 BDADRP COc1ccccc1/C=C/C[NH2+]C[C@H](C)C[NH3+] ZINC000414885495 386060174 /nfs/dbraw/zinc/06/01/74/386060174.db2.gz XAKSFIKUFWLKTI-HOSRBBHYSA-N 2 0 234.343 1.893 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@H](COC)CC(C)C ZINC000414981377 386066591 /nfs/dbraw/zinc/06/65/91/386066591.db2.gz BLNHQCNIMNQSPX-MNOVXSKESA-N 2 0 202.342 1.374 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H](COC)CC(C)C ZINC000414981379 386066744 /nfs/dbraw/zinc/06/67/44/386066744.db2.gz BLNHQCNIMNQSPX-WDEREUQCSA-N 2 0 202.342 1.374 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCCC[C@H]2CN)CC[NH2+]1 ZINC000414652790 386075360 /nfs/dbraw/zinc/07/53/60/386075360.db2.gz HJAXMIIVHYEHSB-AGIUHOORSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCCC[C@@H]2CN)CC[NH2+]1 ZINC000414652791 386076199 /nfs/dbraw/zinc/07/61/99/386076199.db2.gz HJAXMIIVHYEHSB-FRRDWIJNSA-N 2 0 225.380 1.188 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[NH2+][C@@H](C)[C@@H]1C ZINC000414654987 386078727 /nfs/dbraw/zinc/07/87/27/386078727.db2.gz CRDXJQGPQADOOE-SRVKXCTJSA-N 2 0 213.369 1.042 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](C)[C@@H]2CN)CC[NH2+]1 ZINC000414657086 386085581 /nfs/dbraw/zinc/08/55/81/386085581.db2.gz JMDPILCFOYNLAX-DGAVXFQQSA-N 2 0 239.407 1.434 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCN(CC[NH2+]C(C)(C)C)C1 ZINC000414660017 386091139 /nfs/dbraw/zinc/09/11/39/386091139.db2.gz LZOCDYIGZVPKFJ-WDEREUQCSA-N 2 0 213.369 1.044 20 0 BDADRP C[C@H]1CN(CC[NH2+]C(C)(C)C)CC[C@H]1[NH3+] ZINC000414659928 386091457 /nfs/dbraw/zinc/09/14/57/386091457.db2.gz NQVGFGDBIDFVHC-WDEREUQCSA-N 2 0 213.369 1.044 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414660313 386091653 /nfs/dbraw/zinc/09/16/53/386091653.db2.gz MPJQHDPHTXRTCH-AGIUHOORSA-N 2 0 225.380 1.058 20 0 BDADRP c1ccc([C@H]2CN(C[C@H]3CC[NH2+]C3)CCO2)cc1 ZINC000647874789 386144295 /nfs/dbraw/zinc/14/42/95/386144295.db2.gz YRPJBQFGPBGACM-DZGCQCFKSA-N 2 0 246.354 1.669 20 0 BDADRP C[C@@H](CC[NH3+])[NH2+]Cc1ccc2c(c1)ncn2C ZINC000414892831 386150118 /nfs/dbraw/zinc/15/01/18/386150118.db2.gz JPAFPCYHANSMIE-JTQLQIEISA-N 2 0 232.331 1.400 20 0 BDADRP Cc1cccc2ncc(C[NH2+][C@@H](C)CC[NH3+])n21 ZINC000414893161 386156366 /nfs/dbraw/zinc/15/63/66/386156366.db2.gz XZJXRHVLECTFDQ-JTQLQIEISA-N 2 0 232.331 1.470 20 0 BDADRP CCCCC[N@H+](CCO)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414681581 386165283 /nfs/dbraw/zinc/16/52/83/386165283.db2.gz PMNUNKUQHNOXFW-KGLIPLIRSA-N 2 0 242.407 1.859 20 0 BDADRP Cc1ccc(CCC[NH2+]C[C@H]([NH3+])C2CC2)cn1 ZINC000414895016 386185863 /nfs/dbraw/zinc/18/58/63/386185863.db2.gz VCBFVMYQUGBIKU-AWEZNQCLSA-N 2 0 233.359 1.650 20 0 BDADRP C[C@@H]([NH3+])C1CCN(CC[NH2+]C(C)(C)C)CC1 ZINC000414671057 386140451 /nfs/dbraw/zinc/14/04/51/386140451.db2.gz LRKHYDUBOJOQQP-LLVKDONJSA-N 2 0 227.396 1.434 20 0 BDADRP [NH3+]CCC[N@H+](CCC(F)(F)F)CC1CC1 ZINC000414697579 386201583 /nfs/dbraw/zinc/20/15/83/386201583.db2.gz CFBKXPBIVZGTIN-UHFFFAOYSA-N 2 0 224.270 2.000 20 0 BDADRP C[C@@H]1CC[C@@H](C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)O1 ZINC000310570178 386203254 /nfs/dbraw/zinc/20/32/54/386203254.db2.gz NSJZFQUIVPHELU-MQYQWHSLSA-N 2 0 238.375 1.485 20 0 BDADRP Cc1nn(C(C)C)cc1C[NH2+][C@H](C)CC[NH3+] ZINC000414896598 386203404 /nfs/dbraw/zinc/20/34/04/386203404.db2.gz POEWPNGUWNFBMK-SNVBAGLBSA-N 2 0 224.352 1.599 20 0 BDADRP [NH3+]CCC[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000414704582 386213586 /nfs/dbraw/zinc/21/35/86/386213586.db2.gz WFHJOHYVJGDMQY-GFCCVEGCSA-N 2 0 248.326 1.901 20 0 BDADRP Cc1cccc2ncc(CN(C)[C@H](C)C[NH3+])n21 ZINC000347040331 386226311 /nfs/dbraw/zinc/22/63/11/386226311.db2.gz HWHYRTIEEHYELJ-LLVKDONJSA-N 2 0 232.331 1.422 20 0 BDADRP C[N@H+](CCc1nccs1)CC1CC[NH2+]CC1 ZINC000297141972 386226790 /nfs/dbraw/zinc/22/67/90/386226790.db2.gz ZKLPKHRQDWNIBF-UHFFFAOYSA-N 2 0 239.388 1.617 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[N@H+](C)C[C@@H]1C(C)C ZINC000414712232 386229615 /nfs/dbraw/zinc/22/96/15/386229615.db2.gz NLWURXDSBDBKEV-UONOGXRCSA-N 2 0 241.423 1.632 20 0 BDADRP C[N@H+](CCNC[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000132259990 386229798 /nfs/dbraw/zinc/22/97/98/386229798.db2.gz IHNSAKQCDLTBGY-ZDUSSCGKSA-N 2 0 239.407 1.450 20 0 BDADRP C[C@H](O)[C@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414712776 386230320 /nfs/dbraw/zinc/23/03/20/386230320.db2.gz OLUJMGAYDYQPAY-XQHKEYJVSA-N 2 0 226.364 1.077 20 0 BDADRP CCC[C@@H]1C[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000414712356 386230962 /nfs/dbraw/zinc/23/09/62/386230962.db2.gz UAPCHJANKZFCBX-HZSPNIEDSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1cnc(C[NH+]2CCC([C@H](C)[NH3+])CC2)cn1 ZINC000347111879 386231504 /nfs/dbraw/zinc/23/15/04/386231504.db2.gz QFWKKISBKZDDQB-NSHDSACASA-N 2 0 234.347 1.344 20 0 BDADRP CC[N@H+](CCOC)CC[C@H]1CCC[NH+]1C ZINC000336643894 386242326 /nfs/dbraw/zinc/24/23/26/386242326.db2.gz FASCGJODYGCFBN-GFCCVEGCSA-N 2 0 214.353 1.439 20 0 BDADRP COCC[N@H+](C[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000647883386 386246589 /nfs/dbraw/zinc/24/65/89/386246589.db2.gz MXRXNAUIUZFUEM-LBPRGKRZSA-N 2 0 226.364 1.487 20 0 BDADRP COc1ccsc1CN(C)C1CC[NH2+]CC1 ZINC000347106878 386252876 /nfs/dbraw/zinc/25/28/76/386252876.db2.gz NWOVDCJRUQUUPD-UHFFFAOYSA-N 2 0 240.372 1.941 20 0 BDADRP C[C@H]1C[C@H](C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)CC[NH2+]1 ZINC000414698156 386199690 /nfs/dbraw/zinc/19/96/90/386199690.db2.gz IQIKNZIIQVGANB-RFQIPJPRSA-N 3 0 237.391 1.058 20 0 BDADRP C[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000336662286 386282825 /nfs/dbraw/zinc/28/28/25/386282825.db2.gz JBBYBZVPGOBKGE-YPMHNXCESA-N 2 0 226.364 1.031 20 0 BDADRP C[C@H](O)CCC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000336663624 386284220 /nfs/dbraw/zinc/28/42/20/386284220.db2.gz CPZMNYRPNJOMGG-NWDGAFQWSA-N 2 0 214.353 1.031 20 0 BDADRP CCOC[C@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647885774 386286098 /nfs/dbraw/zinc/28/60/98/386286098.db2.gz OMXNPAQXFVMKGP-STQMWFEESA-N 2 0 226.364 1.344 20 0 BDADRP CC[N@H+](C[C@H](O)CN(C)C1CC1)C1CCC1 ZINC000336667751 386295425 /nfs/dbraw/zinc/29/54/25/386295425.db2.gz QJKZSZDDRWMCAF-CYBMUJFWSA-N 2 0 226.364 1.316 20 0 BDADRP C[N@H+](CCCn1ccnc1)[C@@H]1CCCOC1 ZINC000336667849 386297084 /nfs/dbraw/zinc/29/70/84/386297084.db2.gz HAKLNEPQYPLJFS-GFCCVEGCSA-N 2 0 223.320 1.384 20 0 BDADRP COC1(C)CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000336680012 386321894 /nfs/dbraw/zinc/32/18/94/386321894.db2.gz DKJZKMZLBZTIID-ZDUSSCGKSA-N 2 0 240.391 1.972 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+](C)CC2(CO)CC2)CC[NH2+]1 ZINC000414739590 386322479 /nfs/dbraw/zinc/32/24/79/386322479.db2.gz KDBUXVZEQOJIQB-VXGBXAGGSA-N 2 0 226.364 1.079 20 0 BDADRP c1cc2c(s1)C[N@H+](C[C@@H]1CC[NH2+]C1)CC2 ZINC000647988796 386323041 /nfs/dbraw/zinc/32/30/41/386323041.db2.gz OLMUQSPSYFNWMV-SNVBAGLBSA-N 2 0 222.357 1.716 20 0 BDADRP CC(C)(CO)CC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000331926480 386262117 /nfs/dbraw/zinc/26/21/17/386262117.db2.gz VPCRBJUDZBKWHD-VXGBXAGGSA-N 2 0 228.380 1.645 20 0 BDADRP CC(C)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000125519186 386262186 /nfs/dbraw/zinc/26/21/86/386262186.db2.gz RLYMSKCXTZVQIA-LBPRGKRZSA-N 2 0 214.353 1.221 20 0 BDADRP CC[C@H]1C[C@@H](C[N@H+](C)C2CC[NH2+]CC2)CCO1 ZINC000347163270 386267710 /nfs/dbraw/zinc/26/77/10/386267710.db2.gz IPJTXCJWFNQGOG-JSGCOSHPSA-N 2 0 240.391 1.875 20 0 BDADRP C([C@H]1CC[NH2+]C1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000647987592 386274550 /nfs/dbraw/zinc/27/45/50/386274550.db2.gz HBEXEKYPAURHGV-IHRRRGAJSA-N 2 0 237.391 1.202 20 0 BDADRP C([C@H]1CC[NH2+]C1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000647987698 386277470 /nfs/dbraw/zinc/27/74/70/386277470.db2.gz RVMXJXQHFGEHHU-JSGCOSHPSA-N 3 0 237.391 1.060 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCC[C@H](C)O)C1 ZINC000336682735 386339953 /nfs/dbraw/zinc/33/99/53/386339953.db2.gz YPOJKIBVHYNFLB-STQMWFEESA-N 2 0 228.380 1.421 20 0 BDADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC000336682202 386341814 /nfs/dbraw/zinc/34/18/14/386341814.db2.gz CZXNOYAFBGSPQK-KBPBESRZSA-N 2 0 240.391 1.687 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000414746737 386347670 /nfs/dbraw/zinc/34/76/70/386347670.db2.gz SSJHIXSXTIUNTE-UPJWGTAASA-N 2 0 227.396 1.384 20 0 BDADRP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)CCO1 ZINC000414907939 386386594 /nfs/dbraw/zinc/38/65/94/386386594.db2.gz CBSTZZAREYVBND-MCIONIFRSA-N 2 0 240.391 1.922 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000414747869 386357733 /nfs/dbraw/zinc/35/77/33/386357733.db2.gz VDLCWQIEYRXJGO-UONOGXRCSA-N 2 0 241.423 1.776 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cnn2ccccc12 ZINC000415007352 386358567 /nfs/dbraw/zinc/35/85/67/386358567.db2.gz BJIGDAGQPDOOCH-GFCCVEGCSA-N 2 0 246.358 1.941 20 0 BDADRP C[C@H]1C[C@@H](O)C[N@@H+]1Cc1cccc2nccn21 ZINC000334495048 386373797 /nfs/dbraw/zinc/37/37/97/386373797.db2.gz CRZQANCYCBXESO-CMPLNLGQSA-N 2 0 231.299 1.289 20 0 BDADRP CO[C@@H]1CC[N@H+](CC[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC000336698623 386384990 /nfs/dbraw/zinc/38/49/90/386384990.db2.gz WVSBZASHWCNEOI-MGPQQGTHSA-N 2 0 240.391 1.970 20 0 BDADRP COC[C@H]1CC[N@H+](CCCn2ccnc2C)C1 ZINC000336677324 386327537 /nfs/dbraw/zinc/32/75/37/386327537.db2.gz AZTJGXLQGMBMJL-ZDUSSCGKSA-N 2 0 237.347 1.550 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)NCC[C@H]1CCC[NH2+]1 ZINC000414911136 386452835 /nfs/dbraw/zinc/45/28/35/386452835.db2.gz WHWOBVHZPGISBL-UPJWGTAASA-N 2 0 225.380 1.249 20 0 BDADRP c1ccc([C@H]2C[NH2+]CCN2C[C@H]2CC[NH2+]C2)cc1 ZINC000647992613 386447291 /nfs/dbraw/zinc/44/72/91/386447291.db2.gz RZWDVTNVNKMEIY-DZGCQCFKSA-N 2 0 245.370 1.242 20 0 BDADRP c1cc2c(c(C[NH2+]CC[C@H]3CCC[NH2+]3)c1)NCC2 ZINC000414910963 386450498 /nfs/dbraw/zinc/45/04/98/386450498.db2.gz VZQPJACRIHRWBR-CQSZACIVSA-N 2 0 245.370 1.886 20 0 BDADRP Cc1ccc2nc(CN[C@@H](C)C[NH+](C)C)cn2c1 ZINC000290060531 386389825 /nfs/dbraw/zinc/38/98/25/386389825.db2.gz HGQCIEZTTLCFEP-LBPRGKRZSA-N 2 0 246.358 1.682 20 0 BDADRP C[C@@H]1CC2(C[N@@H+]1C[C@H]1CCOC1)CC[NH2+]CC2 ZINC000335280004 386395374 /nfs/dbraw/zinc/39/53/74/386395374.db2.gz QHMNPXVQUSLDQS-CHWSQXEVSA-N 2 0 238.375 1.487 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000414754626 386397759 /nfs/dbraw/zinc/39/77/59/386397759.db2.gz GILNVYLFAJETRO-XQQFMLRXSA-N 2 0 227.396 1.384 20 0 BDADRP COCC[C@H]1CCCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647991128 386407845 /nfs/dbraw/zinc/40/78/45/386407845.db2.gz AWJYLKWSHQQHQG-ZIAGYGMSSA-N 2 0 240.391 1.735 20 0 BDADRP C([C@@H]1CC[NH2+]C1)[N@@H+]1CCOCC2(CCC2)C1 ZINC000647991173 386409396 /nfs/dbraw/zinc/40/93/96/386409396.db2.gz GEXDSRQYMGCDBV-GFCCVEGCSA-N 2 0 224.348 1.098 20 0 BDADRP CCCC[C@H](COC)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414909623 386410168 /nfs/dbraw/zinc/41/01/68/386410168.db2.gz TWNVBXLYFNFGJO-CHWSQXEVSA-N 2 0 228.380 1.923 20 0 BDADRP Cc1ccc(CCC[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cn1 ZINC000339407087 386410335 /nfs/dbraw/zinc/41/03/35/386410335.db2.gz KWWDFFBUYCNOTN-ZFWWWQNUSA-N 2 0 247.386 1.992 20 0 BDADRP C[NH+](C)CC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000336707696 386414135 /nfs/dbraw/zinc/41/41/35/386414135.db2.gz UBYOAEIZVPUUEO-CYBMUJFWSA-N 2 0 226.364 1.439 20 0 BDADRP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414909367 386416238 /nfs/dbraw/zinc/41/62/38/386416238.db2.gz RPVYISCJKQVYBP-STQMWFEESA-N 3 0 239.407 1.496 20 0 BDADRP C[N@H+](CC[C@H]1CCCC[NH+]1C)CC(C)(C)CO ZINC000336708748 386418324 /nfs/dbraw/zinc/41/83/24/386418324.db2.gz JBPKFACFVIDARL-CYBMUJFWSA-N 2 0 242.407 1.811 20 0 BDADRP C[N@@H+]1CC[C@H]2CCN(CC[NH2+]C(C)(C)C)[C@@H]2C1 ZINC000414761329 386418870 /nfs/dbraw/zinc/41/88/70/386418870.db2.gz SQDYTPKJKJSUBW-QWHCGFSZSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@@H](O)CC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000336708696 386419473 /nfs/dbraw/zinc/41/94/73/386419473.db2.gz IUWFHKDTUODOPY-OCCSQVGLSA-N 2 0 240.391 1.421 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2C[C@H](O)C(C)(C)C2)CC[NH2+]1 ZINC000414762005 386421295 /nfs/dbraw/zinc/42/12/95/386421295.db2.gz VEZXIJJCVRCSAZ-WOPDTQHZSA-N 2 0 226.364 1.077 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000414763892 386431093 /nfs/dbraw/zinc/43/10/93/386431093.db2.gz YFDMNYPEOYENBS-IHRRRGAJSA-N 2 0 239.407 1.386 20 0 BDADRP Clc1ccc2c(c1)C[C@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)C2 ZINC000415042354 386528828 /nfs/dbraw/zinc/52/88/28/386528828.db2.gz SICHVLDWHBZBDD-MQYQWHSLSA-N 2 0 248.757 1.615 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+]Cc2cccnc2)CC1 ZINC000227329022 386477223 /nfs/dbraw/zinc/47/72/23/386477223.db2.gz KNKOJOKDSNTFPQ-UHFFFAOYSA-N 2 0 233.359 1.903 20 0 BDADRP CCc1ccccc1[C@H]([NH3+])CN[C@H]1CCC[NH2+]C1 ZINC000415044215 386528964 /nfs/dbraw/zinc/52/89/64/386528964.db2.gz BLLZTOIJQRQPJO-DZGCQCFKSA-N 2 0 247.386 1.590 20 0 BDADRP Cc1ccc(CC[NH+]2CCC([NH3+])CC2)cc1 ZINC000059600386 386482532 /nfs/dbraw/zinc/48/25/32/386482532.db2.gz DEUWCCOVOBLJCM-UHFFFAOYSA-N 2 0 218.344 1.961 20 0 BDADRP CC(C)[C@H](CO)[NH2+]CCC[NH+]1CCCCC1 ZINC000336742791 386485012 /nfs/dbraw/zinc/48/50/12/386485012.db2.gz OMSCBMWDHOSPQP-ZDUSSCGKSA-N 2 0 228.380 1.469 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000417350655 386487797 /nfs/dbraw/zinc/48/77/97/386487797.db2.gz AULVDFGOAFLERG-FHUSYTEZSA-N 2 0 226.364 1.218 20 0 BDADRP C(C[C@H]1CCOC1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415013681 386495485 /nfs/dbraw/zinc/49/54/85/386495485.db2.gz VGIFZRNTWQNVBB-FPMFFAJLSA-N 2 0 238.375 1.391 20 0 BDADRP C[C@H](CC1CCCC1)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415044356 386529502 /nfs/dbraw/zinc/52/95/02/386529502.db2.gz UYUCIPWLWUSIOB-XEZLXBQYSA-N 2 0 208.349 1.763 20 0 BDADRP C[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415015328 386501284 /nfs/dbraw/zinc/50/12/84/386501284.db2.gz YHXKCXSASLIEGI-FTYKPCCVSA-N 2 0 224.348 1.142 20 0 BDADRP C[C@@H]([NH3+])[C@H](C)NCc1ccn(-c2ccccc2)n1 ZINC000415017343 386502286 /nfs/dbraw/zinc/50/22/86/386502286.db2.gz PTPDETHFYODDON-NEPJUHHUSA-N 2 0 244.342 1.698 20 0 BDADRP CC[N@H+](CC[C@@H]1CCC[NH+]1C)[C@H](C)CO ZINC000339634797 386503251 /nfs/dbraw/zinc/50/32/51/386503251.db2.gz GSSSLGQOLUIGIW-NEPJUHHUSA-N 2 0 214.353 1.173 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[NH2+]C2(C)C)CC[NH2+]1 ZINC000415050437 386505096 /nfs/dbraw/zinc/50/50/96/386505096.db2.gz YRZWLMQEFDQTIA-IJLUTSLNSA-N 3 0 225.380 1.105 20 0 BDADRP Cc1ncc(CNCC(C)(C)C[NH+](C)C)cn1 ZINC000340367866 386509979 /nfs/dbraw/zinc/50/99/79/386509979.db2.gz XGMQRGBJPQDPJV-UHFFFAOYSA-N 2 0 236.363 1.462 20 0 BDADRP C[C@H](CCc1cccc(F)c1)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415021571 386511878 /nfs/dbraw/zinc/51/18/78/386511878.db2.gz BXQLEHGGUBEJGR-RABLLNBGSA-N 2 0 248.345 1.954 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000415028976 386516112 /nfs/dbraw/zinc/51/61/12/386516112.db2.gz ZPDQCTPPTRLNRS-GRYCIOLGSA-N 3 0 213.369 1.234 20 0 BDADRP Cc1nc(C)c(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)s1 ZINC000415028723 386516550 /nfs/dbraw/zinc/51/65/50/386516550.db2.gz DEDZKEJVPCZNQH-WDEREUQCSA-N 2 0 239.388 1.977 20 0 BDADRP C[NH2+]C1CC[NH+](C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000335449159 386516755 /nfs/dbraw/zinc/51/67/55/386516755.db2.gz WGSGRRVMQVVJJB-RYUDHWBXSA-N 2 0 225.380 1.058 20 0 BDADRP COC[C@H](CC(C)C)[NH2+][C@H](C)CCC[NH3+] ZINC000415028005 386517468 /nfs/dbraw/zinc/51/74/68/386517468.db2.gz XRVVXXNRSNCAFR-NEPJUHHUSA-N 2 0 216.369 1.765 20 0 BDADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000415031104 386518529 /nfs/dbraw/zinc/51/85/29/386518529.db2.gz GJAIEEUCJBRSJJ-STQMWFEESA-N 2 0 204.317 1.904 20 0 BDADRP C[C@@H](C[NH2+]C[C@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000415032680 386518666 /nfs/dbraw/zinc/51/86/66/386518666.db2.gz GIPGUTFZZXELNJ-DZGCQCFKSA-N 2 0 248.370 1.758 20 0 BDADRP COc1ccc([C@H](C)C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415034972 386521416 /nfs/dbraw/zinc/52/14/16/386521416.db2.gz KGRYDJNOTDSJDN-RABLLNBGSA-N 2 0 246.354 1.606 20 0 BDADRP CCOC[C@@H](C)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414916244 386521855 /nfs/dbraw/zinc/52/18/55/386521855.db2.gz PGVGAMQKXASLIW-NEPJUHHUSA-N 2 0 214.353 1.391 20 0 BDADRP CC(C)(C)CC[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415039960 386527173 /nfs/dbraw/zinc/52/71/73/386527173.db2.gz NSAWJRKLPQCNFI-LLVKDONJSA-N 2 0 214.353 1.391 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCC(C)(C)O2)C1 ZINC000336725934 386460915 /nfs/dbraw/zinc/46/09/15/386460915.db2.gz RRRNVPLGXLRUAC-QWHCGFSZSA-N 2 0 240.391 1.828 20 0 BDADRP C[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CCC(C)(C)O2)C1 ZINC000336725928 386461121 /nfs/dbraw/zinc/46/11/21/386461121.db2.gz RRRNVPLGXLRUAC-OLZOCXBDSA-N 2 0 240.391 1.828 20 0 BDADRP CCC(CC)[C@@H](O)C[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC000415082385 386598211 /nfs/dbraw/zinc/59/82/11/386598211.db2.gz LQUIJKVEAKRJTD-QWHCGFSZSA-N 2 0 228.380 1.373 20 0 BDADRP COCC[N@H+](C)CCC[NH2+]CCC(C)(C)C ZINC000187662075 386576268 /nfs/dbraw/zinc/57/62/68/386576268.db2.gz XSUKXXWTIMMEAN-UHFFFAOYSA-N 2 0 230.396 1.981 20 0 BDADRP COC[C@H](C)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977535 386576464 /nfs/dbraw/zinc/57/64/64/386576464.db2.gz DBRVSPFNYLFKKP-MELADBBJSA-N 2 0 240.391 1.733 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977609 386576864 /nfs/dbraw/zinc/57/68/64/386576864.db2.gz FEVXJIIRLGZDJT-KBPBESRZSA-N 3 0 239.407 1.308 20 0 BDADRP C[C@@H](C[NH2+]Cc1ccc2c[nH]nc2c1)C[NH+](C)C ZINC000291742317 386577063 /nfs/dbraw/zinc/57/70/63/386577063.db2.gz OZCYCYFPLACQLY-NSHDSACASA-N 2 0 246.358 1.850 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)CC(C)C ZINC000417363044 386577603 /nfs/dbraw/zinc/57/76/03/386577603.db2.gz LDUYGKWIVYQHFW-RDBSUJKOSA-N 2 0 242.407 1.977 20 0 BDADRP COC[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977534 386577631 /nfs/dbraw/zinc/57/76/31/386577631.db2.gz DBRVSPFNYLFKKP-IHRRRGAJSA-N 2 0 240.391 1.733 20 0 BDADRP CC[C@H]([NH2+]C[C@H]([NH3+])CC(C)C)[C@H]1CCCO1 ZINC000415076906 386578334 /nfs/dbraw/zinc/57/83/34/386578334.db2.gz GYFIPGPTJLYYMJ-FRRDWIJNSA-N 2 0 228.380 1.907 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@@H]1NC1CC[NH+](C2CC2)CC1 ZINC000335412844 386578369 /nfs/dbraw/zinc/57/83/69/386578369.db2.gz NFRWELBJHANRSA-RISCZKNCSA-N 2 0 237.391 1.153 20 0 BDADRP C[C@H]([NH3+])c1ccc(NCC2(C[NH3+])CC2)cc1 ZINC000414797416 386579256 /nfs/dbraw/zinc/57/92/56/386579256.db2.gz DADBAPXZDZLLDR-JTQLQIEISA-N 2 0 219.332 1.857 20 0 BDADRP C(C[C@@H]1CCOC1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415076242 386579576 /nfs/dbraw/zinc/57/95/76/386579576.db2.gz RWHFNQODAPUKNF-VXGBXAGGSA-N 2 0 212.337 1.145 20 0 BDADRP CO[C@H](C[NH2+]C1CCN(C)CC1)CC(C)C ZINC000417364494 386580676 /nfs/dbraw/zinc/58/06/76/386580676.db2.gz MCYFSDFQJOODEE-ZDUSSCGKSA-N 2 0 228.380 1.731 20 0 BDADRP COC1CCC([NH2+][C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000414803262 386598544 /nfs/dbraw/zinc/59/85/44/386598544.db2.gz NLCXHUVRXKGLRB-XVSSEFHLSA-N 2 0 226.364 1.661 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cnn2ccccc12 ZINC000414801557 386589450 /nfs/dbraw/zinc/58/94/50/386589450.db2.gz UKWCSAXJRVUVBE-WCQYABFASA-N 2 0 244.342 1.551 20 0 BDADRP C[C@@H](CC1CCCC1)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415046261 386531474 /nfs/dbraw/zinc/53/14/74/386531474.db2.gz UWKTUCRJZIVJOZ-JSGCOSHPSA-N 2 0 240.391 1.923 20 0 BDADRP Cc1ncccc1C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415045942 386531951 /nfs/dbraw/zinc/53/19/51/386531951.db2.gz URKBXKVVLJYIBD-AAEUAGOBSA-N 2 0 219.332 1.607 20 0 BDADRP C([NH2+]C[C@@H]1C[NH2+]CCCO1)C1CCCCC1 ZINC000415045199 386532227 /nfs/dbraw/zinc/53/22/27/386532227.db2.gz SXPIFAPIEWVWRK-ZDUSSCGKSA-N 2 0 226.364 1.535 20 0 BDADRP CC[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C1 ZINC000415044563 386532316 /nfs/dbraw/zinc/53/23/16/386532316.db2.gz SCWCJECUFCABIB-HZSPNIEDSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H](CCC(F)(F)F)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415045138 386532668 /nfs/dbraw/zinc/53/26/68/386532668.db2.gz VZJCTFHWGBSNDB-HXFLIBJXSA-N 2 0 222.254 1.525 20 0 BDADRP COC1CCC([NH2+]C[C@@H]([NH3+])C(C)C)CC1 ZINC000414788305 386533074 /nfs/dbraw/zinc/53/30/74/386533074.db2.gz DHFWRRZAFFBVMY-HTAVTVPLSA-N 2 0 214.353 1.517 20 0 BDADRP Cc1cc(Cl)ccc1CN(CC[NH3+])CCO ZINC000414917261 386533236 /nfs/dbraw/zinc/53/32/36/386533236.db2.gz VQQIJAUJCFXZRZ-UHFFFAOYSA-N 2 0 242.750 1.401 20 0 BDADRP C[C@H](CC1CC1)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415047732 386535604 /nfs/dbraw/zinc/53/56/04/386535604.db2.gz WHIPYOKYZRARMB-PWSUYJOCSA-N 2 0 212.337 1.143 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000442711730 386535656 /nfs/dbraw/zinc/53/56/56/386535656.db2.gz FLIDJNQCEJQNAH-PWSUYJOCSA-N 2 0 241.379 1.090 20 0 BDADRP CCCC[C@@H]([NH3+])C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000442711728 386536523 /nfs/dbraw/zinc/53/65/23/386536523.db2.gz FLIDJNQCEJQNAH-CMPLNLGQSA-N 2 0 241.379 1.090 20 0 BDADRP CC(C)(C)[NH2+]CCN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000414790067 386541563 /nfs/dbraw/zinc/54/15/63/386541563.db2.gz ORQZZRXXIFKAJA-NWDGAFQWSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@H](CCO)[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000332045854 386546338 /nfs/dbraw/zinc/54/63/38/386546338.db2.gz VDVCKBRDRMILMN-OUAUKWLOSA-N 2 0 200.326 1.007 20 0 BDADRP CC[C@@H](C[N@H+](C)C[C@H](O)C[NH3+])c1ccccc1 ZINC000415067769 386548348 /nfs/dbraw/zinc/54/83/48/386548348.db2.gz LMKOASYGEAHEMI-GXTWGEPZSA-N 2 0 236.359 1.432 20 0 BDADRP CCc1ccccc1[C@H]([NH3+])CN[C@H]1CC[NH2+]C1 ZINC000415067841 386552621 /nfs/dbraw/zinc/55/26/21/386552621.db2.gz QBQIXZHONYMHQL-GXTWGEPZSA-N 2 0 233.359 1.200 20 0 BDADRP C[C@@H](CC1CCOCC1)C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000415052562 386553856 /nfs/dbraw/zinc/55/38/56/386553856.db2.gz IPCQQBHSMYRYRP-OBJOEFQTSA-N 2 0 240.391 1.861 20 0 BDADRP CCOc1ccccc1CC[NH2+]CC(C)(C)[NH3+] ZINC000415073399 386559220 /nfs/dbraw/zinc/55/92/20/386559220.db2.gz BDXLJJPTFPDMHO-UHFFFAOYSA-N 2 0 236.359 1.955 20 0 BDADRP C[NH2+]CCCN1CCc2ccccc2[C@@H]1C[NH3+] ZINC000647995881 386559411 /nfs/dbraw/zinc/55/94/11/386559411.db2.gz WBWRPFWZXIRETI-AWEZNQCLSA-N 2 0 233.359 1.154 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ncccc1F ZINC000519822057 386562192 /nfs/dbraw/zinc/56/21/92/386562192.db2.gz IBMCFLIXWYYQFN-SNVBAGLBSA-N 2 0 225.311 1.828 20 0 BDADRP C[C@H](CC[N@H+](C)C[C@@H](O)C[NH3+])c1ccccc1 ZINC000415072570 386562425 /nfs/dbraw/zinc/56/24/25/386562425.db2.gz WUSWUYDDFLREDZ-OCCSQVGLSA-N 2 0 236.359 1.432 20 0 BDADRP OCC[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000415125117 386627242 /nfs/dbraw/zinc/62/72/42/386627242.db2.gz RVIMNNCBVMPTKF-DZGCQCFKSA-N 2 0 248.370 1.699 20 0 BDADRP C[C@@H]1CCN(CC[NH2+]C(C)(C)C)C[C@@H]1C[NH3+] ZINC000415123690 386628052 /nfs/dbraw/zinc/62/80/52/386628052.db2.gz JNICLFZBRFNGNZ-NEPJUHHUSA-N 2 0 227.396 1.291 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@H]2CCCC[C@H]2C[NH3+])CC[NH2+]1 ZINC000414811859 386628759 /nfs/dbraw/zinc/62/87/59/386628759.db2.gz WTYJSZJKDJRABW-MQYQWHSLSA-N 3 0 239.407 1.482 20 0 BDADRP Cn1ccnc1CN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000335502761 386631835 /nfs/dbraw/zinc/63/18/35/386631835.db2.gz YZPGFCDDQYGVLY-QWRGUYRKSA-N 2 0 222.336 1.170 20 0 BDADRP COC[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)C1CCCC1 ZINC000425919138 386632853 /nfs/dbraw/zinc/63/28/53/386632853.db2.gz IOYZJTVYOVSZIH-TZMCWYRMSA-N 2 0 242.407 1.979 20 0 BDADRP OCC[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000415129880 386635179 /nfs/dbraw/zinc/63/51/79/386635179.db2.gz ZPCJTZQSPNQCMC-LSDHHAIUSA-N 2 0 248.370 1.842 20 0 BDADRP CCCC[C@H](COC)[NH2+][C@@H](CN)C1CC1 ZINC000414814034 386636288 /nfs/dbraw/zinc/63/62/88/386636288.db2.gz RHQLWOUVDOTDIG-NEPJUHHUSA-N 2 0 214.353 1.519 20 0 BDADRP CC[C@H]1C[C@H](C[NH2+][C@@H]2CCCN[C@@H]2C)CCO1 ZINC000415132961 386640341 /nfs/dbraw/zinc/64/03/41/386640341.db2.gz DEFFGIIIPBKEIV-YIYPIFLZSA-N 2 0 240.391 1.922 20 0 BDADRP CC(C)(C)[NH2+]CCN1C[C@H]([NH3+])Cc2ccccc21 ZINC000415142862 386640400 /nfs/dbraw/zinc/64/04/00/386640400.db2.gz ZWLBDEOAGGXSCW-CYBMUJFWSA-N 2 0 247.386 1.765 20 0 BDADRP CCC([NH3+])(CC)C[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414812843 386642088 /nfs/dbraw/zinc/64/20/88/386642088.db2.gz SBQHZULQSALDKB-NEPJUHHUSA-N 3 0 227.396 1.482 20 0 BDADRP C[C@H]1NCCC[C@H]1[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415146386 386642953 /nfs/dbraw/zinc/64/29/53/386642953.db2.gz YOUIUCGUOCUPDK-UMSGYPCISA-N 2 0 225.380 1.105 20 0 BDADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CCO[C@@H]2C)cc1 ZINC000414815579 386650181 /nfs/dbraw/zinc/65/01/81/386650181.db2.gz XQKJDJWAFYMYGN-WDMOLILDSA-N 2 0 234.343 1.973 20 0 BDADRP CCC([NH3+])(CC)CNC[C@@]1(C)CC[NH2+]C1 ZINC000414815833 386652930 /nfs/dbraw/zinc/65/29/30/386652930.db2.gz YINANFDFQYHZTC-NSHDSACASA-N 2 0 213.369 1.093 20 0 BDADRP CCC([NH3+])(CC)C[NH2+]CC1CC[NH2+]CC1 ZINC000414816040 386654012 /nfs/dbraw/zinc/65/40/12/386654012.db2.gz YZLCJCPOAKFFAQ-UHFFFAOYSA-N 3 0 213.369 1.093 20 0 BDADRP C1C[C@H]2[C@H](CCC[C@H]2[NH2+][C@@H]2CCC[NH2+]CC2)O1 ZINC000415082213 386599682 /nfs/dbraw/zinc/59/96/82/386599682.db2.gz CSLMNUWKIFOOAW-SYQHCUMBSA-N 2 0 238.375 1.676 20 0 BDADRP C[NH+](C)C[C@](C)(O)CNCc1ccc(F)cc1 ZINC000228723065 386604495 /nfs/dbraw/zinc/60/44/95/386604495.db2.gz HYUJDWOSXMCRJR-CYBMUJFWSA-N 2 0 240.322 1.228 20 0 BDADRP CC[N@@H+]1CC[C@H](NC[C@H]([NH3+])C(C)C)[C@@H](C)C1 ZINC000414804904 386608028 /nfs/dbraw/zinc/60/80/28/386608028.db2.gz YGAZWSSIANGMNQ-AVGNSLFASA-N 3 0 227.396 1.290 20 0 BDADRP CC[N@@H+]1CC[C@H](NC[C@@H]([NH3+])C(C)C)[C@@H](C)C1 ZINC000414804906 386610246 /nfs/dbraw/zinc/61/02/46/386610246.db2.gz YGAZWSSIANGMNQ-XQQFMLRXSA-N 3 0 227.396 1.290 20 0 BDADRP COc1cccc2c1CC[C@@H]2[NH2+]CCC[NH3+] ZINC000415093826 386612695 /nfs/dbraw/zinc/61/26/95/386612695.db2.gz WDYWZIJNBNKTIU-LBPRGKRZSA-N 2 0 220.316 1.621 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+]CCCn2ccnc2)CC[NH2+]1 ZINC000415107193 386617415 /nfs/dbraw/zinc/61/74/15/386617415.db2.gz NMBKVQGTYCOIFX-OLZOCXBDSA-N 2 0 236.363 1.251 20 0 BDADRP CN(C[C@@H]1CCC[NH2+]C1)CC1([NH+](C)C)CCC1 ZINC000097928138 386667335 /nfs/dbraw/zinc/66/73/35/386667335.db2.gz IQLNTGTUGVJTFM-CYBMUJFWSA-N 2 0 239.407 1.402 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000520416710 386669650 /nfs/dbraw/zinc/66/96/50/386669650.db2.gz PWGJREYYDMZMSX-UMSGYPCISA-N 2 0 226.364 1.397 20 0 BDADRP C[C@H]([NH3+])CCN[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000414820867 386675262 /nfs/dbraw/zinc/67/52/62/386675262.db2.gz KBSUFSJYZIVWKI-CFVMTHIKSA-N 2 0 247.386 1.807 20 0 BDADRP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)C[NH+](C)C ZINC000425935360 386680609 /nfs/dbraw/zinc/68/06/09/386680609.db2.gz HVRHJSKCSXIXDQ-MELADBBJSA-N 2 0 242.407 1.979 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647954658 386682874 /nfs/dbraw/zinc/68/28/74/386682874.db2.gz GAYJUUBGIMPCJU-CQSZACIVSA-N 3 0 239.407 1.437 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]CC[C@H]2CC[NH2+]C2)CC1 ZINC000414830684 386709163 /nfs/dbraw/zinc/70/91/63/386709163.db2.gz MGGAVUVOBSYAEA-CYBMUJFWSA-N 3 0 239.407 1.448 20 0 BDADRP C[N@H+](CCOCC[NH3+])[C@H]1CCc2ccccc2C1 ZINC000357073470 386711029 /nfs/dbraw/zinc/71/10/29/386711029.db2.gz LRVKLONGHNEYKB-HNNXBMFYSA-N 2 0 248.370 1.451 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000357022656 386691706 /nfs/dbraw/zinc/69/17/06/386691706.db2.gz BHXUQRATFVKYQR-AWEZNQCLSA-N 2 0 234.343 1.799 20 0 BDADRP CC1(C)[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)[C@@H]2CCO[C@H]21 ZINC000414927332 386695806 /nfs/dbraw/zinc/69/58/06/386695806.db2.gz PAGSUEFCBCFNNR-OBPIAQAESA-N 2 0 238.375 1.659 20 0 BDADRP [NH3+]CCOCC[NH+]1CCC(c2ccccc2)CC1 ZINC000357038667 386699936 /nfs/dbraw/zinc/69/99/36/386699936.db2.gz ZPFIBQOUGHVMTH-UHFFFAOYSA-N 2 0 248.370 1.841 20 0 BDADRP CCOC(=O)CCCC[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000520604817 386703392 /nfs/dbraw/zinc/70/33/92/386703392.db2.gz YVXCUWWQPXFQCO-RYUDHWBXSA-N 2 0 242.363 1.531 20 0 BDADRP N[C@@H](C[NH2+]CC[C@@H]1CCOC1)c1ccccc1 ZINC000414830248 386707081 /nfs/dbraw/zinc/70/70/81/386707081.db2.gz LUZBYYWXIMMFEG-OCCSQVGLSA-N 2 0 234.343 1.703 20 0 BDADRP Cc1c[nH]nc1C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335545175 386730324 /nfs/dbraw/zinc/73/03/24/386730324.db2.gz XOYPQSXKYRLNNR-LBPRGKRZSA-N 2 0 248.374 1.682 20 0 BDADRP Cc1ncccc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414838759 386737839 /nfs/dbraw/zinc/73/78/39/386737839.db2.gz VQQAMCBDFPTWGU-LBPRGKRZSA-N 2 0 219.332 1.479 20 0 BDADRP C[C@@]1(CNCC2([NH3+])CCCCC2)CC[NH2+]C1 ZINC000414838535 386740177 /nfs/dbraw/zinc/74/01/77/386740177.db2.gz IHXWTQUCTDAWND-GFCCVEGCSA-N 2 0 225.380 1.237 20 0 BDADRP CCOC[C@H](C)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414834707 386723723 /nfs/dbraw/zinc/72/37/23/386723723.db2.gz QSMCMMUTPAQJQK-QWRGUYRKSA-N 2 0 200.326 1.001 20 0 BDADRP C[C@H]1CCC[C@H]1[NH2+]CCCN(C)CC[NH+](C)C ZINC000623087814 386723846 /nfs/dbraw/zinc/72/38/46/386723846.db2.gz JOQWKUWIDPCZEK-UONOGXRCSA-N 2 0 241.423 1.648 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+]C1CCC(OC)CC1 ZINC000414835364 386726696 /nfs/dbraw/zinc/72/66/96/386726696.db2.gz IKVFPVKIOUZMFF-UNXYVOJBSA-N 2 0 214.353 1.389 20 0 BDADRP CC[NH+](CC)CC(=O)Nc1cccc(C[NH2+]C)c1 ZINC000269131666 386755058 /nfs/dbraw/zinc/75/50/58/386755058.db2.gz LDCIKEIRAFFRCR-UHFFFAOYSA-N 2 0 249.358 1.686 20 0 BDADRP Cc1noc(C)c1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000122319610 386741161 /nfs/dbraw/zinc/74/11/61/386741161.db2.gz WWQCWEMEGJKIDX-KWQFWETISA-N 2 0 223.320 1.461 20 0 BDADRP Cc1nc(C)c(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)s1 ZINC000122326763 386741867 /nfs/dbraw/zinc/74/18/67/386741867.db2.gz KUDNUPGNGMTRLZ-KWQFWETISA-N 2 0 239.388 1.929 20 0 BDADRP CC[N@@H+]1CC[C@H](NC[C@@H](C)C[NH2+]C)[C@@H](C)C1 ZINC000414838841 386743073 /nfs/dbraw/zinc/74/30/73/386743073.db2.gz LRNKLZXCOZAADD-AVGNSLFASA-N 2 0 227.396 1.162 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000192128820 386744055 /nfs/dbraw/zinc/74/40/55/386744055.db2.gz YPCWGWGAJIWROK-KGLIPLIRSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@@H]1C[C@@H]1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648071951 386786132 /nfs/dbraw/zinc/78/61/32/386786132.db2.gz CJGSOVHGEHHHSS-CHWSQXEVSA-N 2 0 238.375 1.439 20 0 BDADRP CCc1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)on1 ZINC000647785614 386788958 /nfs/dbraw/zinc/78/89/58/386788958.db2.gz CFSVOVRYCWPIJI-NQBHXWOUSA-N 2 0 249.358 1.715 20 0 BDADRP COC(=O)C(C)(C)CCN[C@@H]1CCC[NH2+][C@@H]1C ZINC000414935741 386821045 /nfs/dbraw/zinc/82/10/45/386821045.db2.gz CGGJMOLYGVCYDK-GHMZBOCLSA-N 2 0 242.363 1.306 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCCS1 ZINC000336672665 386821262 /nfs/dbraw/zinc/82/12/62/386821262.db2.gz AQQLWPUMOSFTPM-MNOVXSKESA-N 2 0 216.394 1.989 20 0 BDADRP C([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)[C@@H]1CCC[NH2+]1 ZINC000414846095 386812311 /nfs/dbraw/zinc/81/23/11/386812311.db2.gz NADDWAFESZCCTR-RVMXOQNASA-N 2 0 236.359 1.286 20 0 BDADRP c1nc(CN2CC[NH+](C3CCC3)CC2)c[nH]1 ZINC000280391614 386812413 /nfs/dbraw/zinc/81/24/13/386812413.db2.gz GLEQNZATEQXMGK-UHFFFAOYSA-N 2 0 220.320 1.080 20 0 BDADRP CO[C@@H](C[NH2+]C1CCC([NH+](C)C)CC1)C1CC1 ZINC000645498120 386813077 /nfs/dbraw/zinc/81/30/77/386813077.db2.gz XEBKBZDBWXNSGB-RUXDESIVSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+]CCC1CC[NH+](C)CC1 ZINC000192551400 386831576 /nfs/dbraw/zinc/83/15/76/386831576.db2.gz JBAFFTDCISOOQX-OCCSQVGLSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H](NC[C@H]1[NH2+]CCCC1(C)C)[C@@H]1CC[NH2+]C1 ZINC000414938431 386851576 /nfs/dbraw/zinc/85/15/76/386851576.db2.gz YMUOOWKILIKGEF-YNEHKIRRSA-N 2 0 239.407 1.352 20 0 BDADRP CCCC[N@H+](C)CCN[C@H]1C[NH+](C)C[C@H]1C ZINC000336744400 386855426 /nfs/dbraw/zinc/85/54/26/386855426.db2.gz UVTNYRJTSIJHGL-OLZOCXBDSA-N 2 0 227.396 1.258 20 0 BDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)[NH3+] ZINC000166371704 386863069 /nfs/dbraw/zinc/86/30/69/386863069.db2.gz MEUXJKOCCJVNPM-NWDGAFQWSA-N 2 0 241.379 1.104 20 0 BDADRP Cc1cnc(CN[C@@H]2C[N@H+](C3CC3)C[C@H]2C)n1C ZINC000341256361 386868014 /nfs/dbraw/zinc/86/80/14/386868014.db2.gz HKRSSATUZAIADV-ZWNOBZJWSA-N 2 0 248.374 1.301 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1cccnc1 ZINC000051919446 386872682 /nfs/dbraw/zinc/87/26/82/386872682.db2.gz DSXLOAXSQLBCCE-ZDUSSCGKSA-N 2 0 233.359 1.903 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000331605705 386874223 /nfs/dbraw/zinc/87/42/23/386874223.db2.gz IEOWMALRJWDCJG-XQHKEYJVSA-N 2 0 226.364 1.397 20 0 BDADRP COC[C@]1(C[NH2+][C@@H]2CCC[C@H](C)C2)CCC[NH2+]1 ZINC000414940098 386876016 /nfs/dbraw/zinc/87/60/16/386876016.db2.gz HBCCTIZHRZNGMO-BFHYXJOUSA-N 2 0 240.391 1.923 20 0 BDADRP CC1(C)CCC[NH2+][C@@H]1CN[C@H]1CCC[NH2+]C1 ZINC000334861352 386915696 /nfs/dbraw/zinc/91/56/96/386915696.db2.gz BFGPSHWTCOMRJI-NWDGAFQWSA-N 2 0 225.380 1.106 20 0 BDADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]C2CCSCC2)C1 ZINC000334848096 386896465 /nfs/dbraw/zinc/89/64/65/386896465.db2.gz HXCJPJGQKLWXBY-MNOVXSKESA-N 2 0 228.405 1.989 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000358168294 386905276 /nfs/dbraw/zinc/90/52/76/386905276.db2.gz NETXQKLBQMYKKG-IHRRRGAJSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@H](O)CC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000331935961 386928571 /nfs/dbraw/zinc/92/85/71/386928571.db2.gz HXRIJSDAIOFMOD-HBNTYKKESA-N 2 0 200.326 1.007 20 0 BDADRP Cc1c[nH]nc1CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000334870980 386930495 /nfs/dbraw/zinc/93/04/95/386930495.db2.gz VXBIMFAHJURHJN-TZMCWYRMSA-N 2 0 248.374 1.682 20 0 BDADRP CC[C@H](O)C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000331956048 386930548 /nfs/dbraw/zinc/93/05/48/386930548.db2.gz JTRKXFCBQDCIAT-DCAQKATOSA-N 2 0 200.326 1.007 20 0 BDADRP C[C@@]1(C[NH2+][C@@H]2CCCOCC2)CCC[NH2+]C1 ZINC000334873907 386935339 /nfs/dbraw/zinc/93/53/39/386935339.db2.gz KNKIBBFNNDXBRR-CHWSQXEVSA-N 2 0 226.364 1.535 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000331985784 386936721 /nfs/dbraw/zinc/93/67/21/386936721.db2.gz NAZUEPXCLLUQCB-WOPDTQHZSA-N 3 0 213.369 1.363 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2C[C@H]([NH3+])c3ccccc32)CC[NH2+]1 ZINC000332031302 386943997 /nfs/dbraw/zinc/94/39/97/386943997.db2.gz SVRHPMVBNZIHHW-HKCMKHECSA-N 2 0 245.370 1.861 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1NC[C@@H]1CCC[NH2+]C1 ZINC000332265252 386968000 /nfs/dbraw/zinc/96/80/00/386968000.db2.gz CSMJFZMZXYFRQC-UPJWGTAASA-N 2 0 225.380 1.236 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](N[C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000332311264 386972322 /nfs/dbraw/zinc/97/23/22/386972322.db2.gz XMSGIUDCQXFOBD-XQHKEYJVSA-N 2 0 225.380 1.506 20 0 BDADRP COCCC1(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000395197387 386983271 /nfs/dbraw/zinc/98/32/71/386983271.db2.gz KUHFPUKEEMPXSZ-STQMWFEESA-N 2 0 240.391 1.923 20 0 BDADRP COCCC1(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000395197385 386983451 /nfs/dbraw/zinc/98/34/51/386983451.db2.gz KUHFPUKEEMPXSZ-QWHCGFSZSA-N 2 0 240.391 1.923 20 0 BDADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000341886240 386983444 /nfs/dbraw/zinc/98/34/44/386983444.db2.gz XRXZDGBWARSHHC-RFQIPJPRSA-N 2 0 240.391 1.731 20 0 BDADRP CCCC[NH+]1CCC([NH2+][C@H](C)CC(N)=O)CC1 ZINC000341906162 386986658 /nfs/dbraw/zinc/98/66/58/386986658.db2.gz XENNHEFAMNDPNM-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000332583632 386992951 /nfs/dbraw/zinc/99/29/51/386992951.db2.gz KCWBFXZBLHOQJB-WCFLWFBJSA-N 2 0 248.374 1.374 20 0 BDADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCCCO)C1 ZINC000304328259 387031330 /nfs/dbraw/zinc/03/13/30/387031330.db2.gz UCTLGRFNSIFTNH-CYBMUJFWSA-N 2 0 228.380 1.423 20 0 BDADRP C[C@@H]1CC[NH2+][C@H](C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000334955597 387033922 /nfs/dbraw/zinc/03/39/22/387033922.db2.gz MCRFHUXTSVSVLQ-MFKMUULPSA-N 2 0 247.342 1.472 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000107980470 387038724 /nfs/dbraw/zinc/03/87/24/387038724.db2.gz BRSCWPUTIRHHJA-CMPLNLGQSA-N 2 0 222.307 1.995 20 0 BDADRP Cc1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)no1 ZINC000334978887 387066617 /nfs/dbraw/zinc/06/66/17/387066617.db2.gz CTWLPCFIZHRRMG-STQMWFEESA-N 2 0 249.358 1.805 20 0 BDADRP CC(C)[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000334969148 387052453 /nfs/dbraw/zinc/05/24/53/387052453.db2.gz OUXALMQDADGQPY-OLZOCXBDSA-N 2 0 226.364 1.613 20 0 BDADRP CC(C)[NH+](CCNC(=O)CC[C@@H](C)[NH3+])C(C)C ZINC000070314626 387063379 /nfs/dbraw/zinc/06/33/79/387063379.db2.gz HGRLXQYSCOKNQV-GFCCVEGCSA-N 2 0 243.395 1.349 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000228073567 387065522 /nfs/dbraw/zinc/06/55/22/387065522.db2.gz WJRYQBYSDKZSAA-IEECTRCBSA-N 2 0 228.380 1.464 20 0 BDADRP CCC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000334935345 387012744 /nfs/dbraw/zinc/01/27/44/387012744.db2.gz DGURPMPFQDOJPP-UONOGXRCSA-N 2 0 239.407 1.354 20 0 BDADRP CCC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000334935342 387013244 /nfs/dbraw/zinc/01/32/44/387013244.db2.gz DGURPMPFQDOJPP-KBPBESRZSA-N 2 0 239.407 1.354 20 0 BDADRP CC[NH2+]CCCNC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000519118938 387015670 /nfs/dbraw/zinc/01/56/70/387015670.db2.gz RCLMHLPARHSOGC-NEPJUHHUSA-N 2 0 241.379 1.010 20 0 BDADRP c1cc(CN2CCC[C@]3(CC[NH2+]C3)C2)on1 ZINC000334981572 387068809 /nfs/dbraw/zinc/06/88/09/387068809.db2.gz SQVFHKHCKQBQER-GFCCVEGCSA-N 2 0 221.304 1.250 20 0 BDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCC1CC[NH2+]CC1 ZINC000359220241 387069667 /nfs/dbraw/zinc/06/96/67/387069667.db2.gz OHIIQHRBZVGTCD-CQSZACIVSA-N 3 0 241.423 1.681 20 0 BDADRP CC(C)[C@](C)(CN)[NH2+]CCC1CC[NH2+]CC1 ZINC000359229579 387070098 /nfs/dbraw/zinc/07/00/98/387070098.db2.gz YDJRCLUGFCIZGS-ZDUSSCGKSA-N 2 0 227.396 1.339 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000359230542 387072441 /nfs/dbraw/zinc/07/24/41/387072441.db2.gz ZSHLRPVAMHPYHK-GXTWGEPZSA-N 3 0 239.407 1.435 20 0 BDADRP Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)c(C)n1 ZINC000334998259 387090909 /nfs/dbraw/zinc/09/09/09/387090909.db2.gz NFAXSVSJKBBMGS-ZDUSSCGKSA-N 2 0 233.359 1.869 20 0 BDADRP C[N@@H+]1CC[C@H](N[C@H]2CCC[NH2+]C2)[C@H]2CCC[C@H]21 ZINC000423300475 387132012 /nfs/dbraw/zinc/13/20/12/387132012.db2.gz DYJPYWUVRHCKHM-RFQIPJPRSA-N 2 0 237.391 1.201 20 0 BDADRP CC(C)CC[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000070186259 387119707 /nfs/dbraw/zinc/11/97/07/387119707.db2.gz CDUNZTOFGIPBNV-KBPBESRZSA-N 2 0 242.407 1.857 20 0 BDADRP Cn1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cn1 ZINC000250614979 387120497 /nfs/dbraw/zinc/12/04/97/387120497.db2.gz BOUIWNRFHBSXAA-MGPQQGTHSA-N 2 0 248.374 1.430 20 0 BDADRP Cc1cc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)n(C)n1 ZINC000335028366 387122833 /nfs/dbraw/zinc/12/28/33/387122833.db2.gz ISBIHUIKVDMNSW-ZWNOBZJWSA-N 2 0 236.363 1.206 20 0 BDADRP Cc1ccc(CN2C[C@@H](C)[C@H]([NH3+])C2)c(C)n1 ZINC000334981587 387068602 /nfs/dbraw/zinc/06/86/02/387068602.db2.gz SXVXOUMIERBDTQ-NOZJJQNGSA-N 2 0 219.332 1.477 20 0 BDADRP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CC1C[NH2+]C1 ZINC000423306453 387142195 /nfs/dbraw/zinc/14/21/95/387142195.db2.gz TWQYFSXZQKRYHQ-NWDGAFQWSA-N 2 0 226.364 1.389 20 0 BDADRP CC[C@@H](Cc1ccccc1)[NH2+]CC1C[NH2+]C1 ZINC000423308052 387143496 /nfs/dbraw/zinc/14/34/96/387143496.db2.gz XGBSEFBVMDSZAT-AWEZNQCLSA-N 2 0 218.344 1.817 20 0 BDADRP [NH3+][C@@H](C[NH2+][C@H]1CCc2ccccc2OC1)C1CC1 ZINC000423315149 387153557 /nfs/dbraw/zinc/15/35/57/387153557.db2.gz INKNGIVTSFPVMY-KBPBESRZSA-N 2 0 246.354 1.707 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CCCC[NH3+])[C@@H]2CCC[C@H]21 ZINC000423316629 387156075 /nfs/dbraw/zinc/15/60/75/387156075.db2.gz BXSRDDYIGZNZHL-RWMBFGLXSA-N 3 0 225.380 1.188 20 0 BDADRP CCN1C[C@@H](C)[C@H]([NH2+]CC2(C)CC[NH2+]CC2)C1 ZINC000423318656 387159882 /nfs/dbraw/zinc/15/98/82/387159882.db2.gz CTZFCLCFXNKQRY-CHWSQXEVSA-N 3 0 239.407 1.306 20 0 BDADRP C[C@@H]1C[C@H](NCC2([NH3+])CCC2)C[N@@H+]1C1CC1 ZINC000423321343 387164528 /nfs/dbraw/zinc/16/45/28/387164528.db2.gz HISYTJULTXJXFS-MNOVXSKESA-N 2 0 223.364 1.083 20 0 BDADRP COc1cc([C@H](C)[NH2+]CCCC[NH3+])c(F)cn1 ZINC000423321372 387165893 /nfs/dbraw/zinc/16/58/93/387165893.db2.gz HLBVPQXXVWUEGR-VIFPVBQESA-N 2 0 241.310 1.619 20 0 BDADRP [NH3+][C@H](CN[C@H]1C[C@@H]([NH3+])c2ccccc21)C1CC1 ZINC000423330102 387172736 /nfs/dbraw/zinc/17/27/36/387172736.db2.gz TXGFOIKJHPDMFB-MCIONIFRSA-N 2 0 231.343 1.458 20 0 BDADRP CCOC[C@@H]1CCC[C@H]1[NH2+]CC1([NH3+])CCC1 ZINC000423328725 387174193 /nfs/dbraw/zinc/17/41/93/387174193.db2.gz OFMASFUUWGAYHQ-NWDGAFQWSA-N 2 0 226.364 1.663 20 0 BDADRP Cc1ccncc1[C@@H](C)[NH2+]CC1=CC[NH2+]CC1 ZINC000423333341 387178704 /nfs/dbraw/zinc/17/87/04/387178704.db2.gz FEDRKUCKXGCABO-GFCCVEGCSA-N 2 0 231.343 1.960 20 0 BDADRP COC[C@@H]([NH2+]CCCC[NH3+])C1CCCC1 ZINC000423336572 387183195 /nfs/dbraw/zinc/18/31/95/387183195.db2.gz USLQDIVEYXELDP-GFCCVEGCSA-N 2 0 214.353 1.520 20 0 BDADRP CC1(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC[NH2+]CC1 ZINC000423337826 387185964 /nfs/dbraw/zinc/18/59/64/387185964.db2.gz UEAXUOPGEDXRJP-OLZOCXBDSA-N 3 0 239.407 1.483 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000229622082 387187593 /nfs/dbraw/zinc/18/75/93/387187593.db2.gz SXASEJPJSIIXQQ-MCIONIFRSA-N 2 0 240.391 1.754 20 0 BDADRP C(COCC1CC1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000229621930 387187973 /nfs/dbraw/zinc/18/79/73/387187973.db2.gz KNYASIFKNTYDDT-ZIAGYGMSSA-N 2 0 238.375 1.629 20 0 BDADRP COc1cccc([C@H](C)[NH2+]CC2C[NH2+]C2)c1 ZINC000423304489 387139264 /nfs/dbraw/zinc/13/92/64/387139264.db2.gz OCCYNAOJYVJDDT-JTQLQIEISA-N 2 0 220.316 1.565 20 0 BDADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000162021278 387140909 /nfs/dbraw/zinc/14/09/09/387140909.db2.gz IRQJLDCNCCIXDV-WDEREUQCSA-N 2 0 243.395 1.192 20 0 BDADRP C[C@H](NC[C@]1(C)CCC[NH2+]C1)[C@H]1CCC[NH2+]1 ZINC000423351575 387203255 /nfs/dbraw/zinc/20/32/55/387203255.db2.gz ZFHGPMUUJIKVSF-YNEHKIRRSA-N 2 0 225.380 1.106 20 0 BDADRP C[C@@H](NC[C@H]1[NH2+]CCc2ccccc21)C1C[NH2+]C1 ZINC000423424943 387252501 /nfs/dbraw/zinc/25/25/01/387252501.db2.gz LYLTYJCRDSIHRM-IAQYHMDHSA-N 2 0 245.370 1.071 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)[C@@H](C)O1 ZINC000423356214 387207576 /nfs/dbraw/zinc/20/75/76/387207576.db2.gz JPAJQDISIGUYAO-DDHJBXDOSA-N 2 0 212.337 1.284 20 0 BDADRP CC[C@H]([NH2+]CC1=CC[NH2+]CC1)[C@H]1C[C@H]1C ZINC000423357668 387208598 /nfs/dbraw/zinc/20/85/98/387208598.db2.gz SMPPFJLPBKKOOF-WXHSDQCUSA-N 2 0 208.349 1.930 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)C1CCOCC1 ZINC000423358306 387209852 /nfs/dbraw/zinc/20/98/52/387209852.db2.gz JIBGCYKFHSHVDP-WCQYABFASA-N 2 0 226.364 1.533 20 0 BDADRP C1CC([N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)C1 ZINC000371464173 387219509 /nfs/dbraw/zinc/21/95/09/387219509.db2.gz PHLILYKYWVXWME-FPMFFAJLSA-N 2 0 220.360 1.955 20 0 BDADRP CC[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)OC ZINC000353554853 387228870 /nfs/dbraw/zinc/22/88/70/387228870.db2.gz APYQYAXNBGEDPW-AAVRWANBSA-N 2 0 240.391 1.874 20 0 BDADRP c1ccc([C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C2CC2)cc1 ZINC000423428991 387254012 /nfs/dbraw/zinc/25/40/12/387254012.db2.gz JTRPRYVGRJULON-BARDWOONSA-N 2 0 228.339 1.945 20 0 BDADRP C[NH2+][C@H](C)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000423397617 387232071 /nfs/dbraw/zinc/23/20/71/387232071.db2.gz SRLZUOFRNJPFRM-XQHKEYJVSA-N 2 0 238.375 1.532 20 0 BDADRP C[NH+](C)CCSCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000371620834 387233792 /nfs/dbraw/zinc/23/37/92/387233792.db2.gz YNWKCMQMXNLRDK-TXEJJXNPSA-N 2 0 244.404 1.144 20 0 BDADRP CC(C)(CNCc1ncc[nH]1)C[NH+]1CCCC1 ZINC000360165649 387235382 /nfs/dbraw/zinc/23/53/82/387235382.db2.gz MWYWLHWOJNZYTP-UHFFFAOYSA-N 2 0 236.363 1.621 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+][C@H](C)CCCC[NH3+] ZINC000423398982 387235529 /nfs/dbraw/zinc/23/55/29/387235529.db2.gz VTEASOFCLVYOEX-GHMZBOCLSA-N 3 0 201.358 1.092 20 0 BDADRP Cc1cnccc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000228661839 387237781 /nfs/dbraw/zinc/23/77/81/387237781.db2.gz AANHTYJQRILYBA-UHFFFAOYSA-N 2 0 233.359 1.821 20 0 BDADRP C[C@H](O)CCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353610548 387239905 /nfs/dbraw/zinc/23/99/05/387239905.db2.gz WRTGAISBWUGYTQ-FQUUOJAGSA-N 2 0 240.391 1.610 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@@H](C)C2)C1(C)C ZINC000423404706 387241571 /nfs/dbraw/zinc/24/15/71/387241571.db2.gz ZDVIENGSRPJOJZ-QNWHQSFQSA-N 2 0 240.391 1.920 20 0 BDADRP CC[C@@H]1CC[C@@H]1[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000423407865 387243018 /nfs/dbraw/zinc/24/30/18/387243018.db2.gz NMNSQMWXOIJHCK-OLZOCXBDSA-N 2 0 240.391 1.781 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000423406240 387243991 /nfs/dbraw/zinc/24/39/91/387243991.db2.gz UMNAMUAZQCBSED-RQJABVFESA-N 2 0 240.391 1.779 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1C[NH2+]C[C@@H]1O)C1CCCCC1 ZINC000423412102 387246372 /nfs/dbraw/zinc/24/63/72/387246372.db2.gz WCVHXMVNVNZEME-RDBSUJKOSA-N 2 0 240.391 1.515 20 0 BDADRP CC1(C)CCC[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000423422701 387250572 /nfs/dbraw/zinc/25/05/72/387250572.db2.gz DGGFUCCNVDXYEC-WYUUTHIRSA-N 2 0 208.349 1.763 20 0 BDADRP CN(Cc1nccn1C)CC1([NH+](C)C)CCC1 ZINC000187975237 387250785 /nfs/dbraw/zinc/25/07/85/387250785.db2.gz MFGPYOCGUXTXIN-UHFFFAOYSA-N 2 0 236.363 1.336 20 0 BDADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)[C@H]1CCCC[NH2+]1 ZINC000423344811 387195280 /nfs/dbraw/zinc/19/52/80/387195280.db2.gz YEXPDZUUJSNTHL-QWHCGFSZSA-N 3 0 239.407 1.496 20 0 BDADRP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)[C@H]1CCCO1 ZINC000423348301 387198030 /nfs/dbraw/zinc/19/80/30/387198030.db2.gz SXGDSCZWSVEFRL-YNEHKIRRSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@H]1C[C@H]1C ZINC000321875580 387309606 /nfs/dbraw/zinc/30/96/06/387309606.db2.gz IEUJENQGICRGPI-MDZLAQPJSA-N 2 0 210.365 1.962 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423463318 387311415 /nfs/dbraw/zinc/31/14/15/387311415.db2.gz FOMJYNDSWSSLNB-VOAKCMCISA-N 3 0 225.380 1.221 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)CCC[NH3+] ZINC000423466692 387315459 /nfs/dbraw/zinc/31/54/59/387315459.db2.gz XIZNPKKVQBTZKW-AGIUHOORSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353687439 387259403 /nfs/dbraw/zinc/25/94/03/387259403.db2.gz ZYHZSWBNAJXMPT-ODXJTPSBSA-N 2 0 240.391 1.608 20 0 BDADRP COC[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)C1CC1 ZINC000423379251 387260409 /nfs/dbraw/zinc/26/04/09/387260409.db2.gz MUMFYMRAJUCTGJ-USWWRNFRSA-N 2 0 212.337 1.142 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000423468923 387317160 /nfs/dbraw/zinc/31/71/60/387317160.db2.gz JYMYRUJHCYLQBA-ZOBORPQBSA-N 2 0 239.407 1.576 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC000423468920 387317242 /nfs/dbraw/zinc/31/72/42/387317242.db2.gz JYMYRUJHCYLQBA-XJFOESAGSA-N 2 0 239.407 1.576 20 0 BDADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCC[N@H+](C)CC ZINC000353758971 387269475 /nfs/dbraw/zinc/26/94/75/387269475.db2.gz LNQKYJILVJXPLS-LBPRGKRZSA-N 2 0 243.395 1.221 20 0 BDADRP CC[NH2+][C@H](C)CN[C@H]1CCCC[C@H]1C[NH3+] ZINC000423386528 387271148 /nfs/dbraw/zinc/27/11/48/387271148.db2.gz LJIYLQHIWWZYCJ-WOPDTQHZSA-N 2 0 213.369 1.092 20 0 BDADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423470435 387317702 /nfs/dbraw/zinc/31/77/02/387317702.db2.gz PJEAZODMLHPDBM-IEECTRCBSA-N 2 0 238.375 1.659 20 0 BDADRP CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423391666 387277303 /nfs/dbraw/zinc/27/73/03/387277303.db2.gz PNLWZWWIJXGCGS-MNOVXSKESA-N 2 0 234.343 1.803 20 0 BDADRP C[C@@H](CCCC[NH3+])N[C@@H]1C[NH2+]CCC1(F)F ZINC000423469561 387317938 /nfs/dbraw/zinc/31/79/38/387317938.db2.gz COMHRGBVGLERHU-VHSXEESVSA-N 2 0 235.322 1.091 20 0 BDADRP CC(C)[C@@H](Cn1cccn1)[NH2+]CCC[NH+](C)C ZINC000302379441 387281323 /nfs/dbraw/zinc/28/13/23/387281323.db2.gz DMJZTJYNCJSSSG-CYBMUJFWSA-N 2 0 238.379 1.449 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)[C@@H](C)O1 ZINC000423431881 387283197 /nfs/dbraw/zinc/28/31/97/387283197.db2.gz MBIDWPAYECSFFK-IGJDLRFWSA-N 2 0 238.375 1.530 20 0 BDADRP c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)CO2 ZINC000423431961 387284159 /nfs/dbraw/zinc/28/41/59/387284159.db2.gz MDEXXVIKNNMZMJ-RMRHIDDWSA-N 2 0 244.338 1.188 20 0 BDADRP COC[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)C(C)C ZINC000423434269 387285597 /nfs/dbraw/zinc/28/55/97/387285597.db2.gz KJNCHUIDBMIGPL-BFHYXJOUSA-N 2 0 240.391 1.635 20 0 BDADRP CCN1C[C@H](C)[C@H]([NH2+][C@H](C)CCCC[NH3+])C1 ZINC000423435073 387286079 /nfs/dbraw/zinc/28/60/79/387286079.db2.gz OPLAXNJOFVIESF-YNEHKIRRSA-N 2 0 227.396 1.434 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)C1CC1 ZINC000423438783 387288378 /nfs/dbraw/zinc/28/83/78/387288378.db2.gz NFTZFHRKTPMOCC-TVYUQYBPSA-N 2 0 208.349 1.763 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000423444980 387295223 /nfs/dbraw/zinc/29/52/23/387295223.db2.gz BIRNTEASDMLWKP-RYUDHWBXSA-N 2 0 236.359 1.957 20 0 BDADRP CC(C)(C)[C@H]1CC[C@@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423444631 387295256 /nfs/dbraw/zinc/29/52/56/387295256.db2.gz BHYFQLPRHWOXGL-KZZRWZIVSA-N 2 0 208.349 1.619 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000423447548 387296928 /nfs/dbraw/zinc/29/69/28/387296928.db2.gz ZVCULGLTHOOHBB-ZOWXZIJZSA-N 2 0 247.386 1.589 20 0 BDADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000423447944 387297085 /nfs/dbraw/zinc/29/70/85/387297085.db2.gz PJEAZODMLHPDBM-NWBUJAPZSA-N 2 0 238.375 1.659 20 0 BDADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000423447945 387298423 /nfs/dbraw/zinc/29/84/23/387298423.db2.gz PJEAZODMLHPDBM-YYHQMBLXSA-N 2 0 238.375 1.659 20 0 BDADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000423449812 387299377 /nfs/dbraw/zinc/29/93/77/387299377.db2.gz SEKJDAHDRBSGCU-NGDQXYMTSA-N 2 0 226.364 1.515 20 0 BDADRP Cc1cc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)on1 ZINC000353947741 387301718 /nfs/dbraw/zinc/30/17/18/387301718.db2.gz OUHOQMQFHUHATO-OLZOCXBDSA-N 2 0 249.358 1.742 20 0 BDADRP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)CCC[NH3+] ZINC000423453994 387302560 /nfs/dbraw/zinc/30/25/60/387302560.db2.gz LEDOZZDPHZACSO-AVGNSLFASA-N 2 0 228.380 1.909 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCC[NH2+]C1CC1 ZINC000423520105 387354139 /nfs/dbraw/zinc/35/41/39/387354139.db2.gz DQCTZCJCGXSENO-BZPMIXESSA-N 2 0 239.407 1.447 20 0 BDADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)[C@H]1CCC[NH2+]1 ZINC000423536060 387360493 /nfs/dbraw/zinc/36/04/93/387360493.db2.gz GISGBXCANGHSGD-WCQYABFASA-N 3 0 223.364 1.026 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1cn[nH]c1 ZINC000423481010 387360788 /nfs/dbraw/zinc/36/07/88/387360788.db2.gz WMQFVBKOEJZCHH-NHCYSSNCSA-N 2 0 222.336 1.578 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1cn[nH]c1 ZINC000423481008 387361026 /nfs/dbraw/zinc/36/10/26/387361026.db2.gz WMQFVBKOEJZCHH-HOSYDEDBSA-N 2 0 222.336 1.578 20 0 BDADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423538183 387363634 /nfs/dbraw/zinc/36/36/34/387363634.db2.gz MERJPZRIUSPJRD-IUODEOHRSA-N 2 0 249.402 1.369 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc3c2NCC3)C1 ZINC000336541438 387363869 /nfs/dbraw/zinc/36/38/69/387363869.db2.gz HCMLPOLJESQZFG-AAEUAGOBSA-N 2 0 245.370 1.824 20 0 BDADRP COc1ccc(C[C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])cn1 ZINC000423481129 387363996 /nfs/dbraw/zinc/36/39/96/387363996.db2.gz WQVYIZFFXFRLFU-HBNTYKKESA-N 2 0 237.347 1.347 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc3c2NCC3)C1 ZINC000336541439 387364443 /nfs/dbraw/zinc/36/44/43/387364443.db2.gz HCMLPOLJESQZFG-DGCLKSJQSA-N 2 0 245.370 1.824 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2C[NH3+])CCO1 ZINC000423541644 387365604 /nfs/dbraw/zinc/36/56/04/387365604.db2.gz FSORKFKMSJTUTM-UMSGYPCISA-N 2 0 226.364 1.661 20 0 BDADRP CC[C@H](C)C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000423539799 387365843 /nfs/dbraw/zinc/36/58/43/387365843.db2.gz CAZGEHULCRETRO-NNYUYHANSA-N 2 0 214.353 1.374 20 0 BDADRP CC[C@@H](NC[C@H]1CCCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000643502481 387367054 /nfs/dbraw/zinc/36/70/54/387367054.db2.gz HREGYNRFXBPKKF-UPJWGTAASA-N 2 0 225.380 1.249 20 0 BDADRP COCCC[C@H](C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423543497 387367935 /nfs/dbraw/zinc/36/79/35/387367935.db2.gz BZBLBJZOQJBDMK-RYUDHWBXSA-N 2 0 214.353 1.533 20 0 BDADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)[C@@H]1CCCC[NH2+]1 ZINC000423545673 387369855 /nfs/dbraw/zinc/36/98/55/387369855.db2.gz YHEVFNWONYCMSS-JSGCOSHPSA-N 3 0 237.391 1.416 20 0 BDADRP C[C@@H]1C[C@@H](N[C@H]2CCCC[NH2+]C2)CC[N@@H+]1C ZINC000423555071 387376314 /nfs/dbraw/zinc/37/63/14/387376314.db2.gz LQDFVBFFCJUWKH-AGIUHOORSA-N 2 0 225.380 1.201 20 0 BDADRP C(CNC1CC[NH+](C2CC2)CC1)C[NH2+]C1CC1 ZINC000423572068 387379400 /nfs/dbraw/zinc/37/94/00/387379400.db2.gz YFONPLABAGBJMY-UHFFFAOYSA-N 2 0 237.391 1.345 20 0 BDADRP COCC[C@@H]1CCC[C@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000423570048 387379597 /nfs/dbraw/zinc/37/95/97/387379597.db2.gz WSNAXNLHEDEXMT-GXTWGEPZSA-N 2 0 240.391 1.923 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC000423476299 387321873 /nfs/dbraw/zinc/32/18/73/387321873.db2.gz RCLJORYUTZVLTG-MQYQWHSLSA-N 3 0 239.407 1.624 20 0 BDADRP C[C@H]([NH3+])[C@H](C)N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423475109 387322141 /nfs/dbraw/zinc/32/21/41/387322141.db2.gz RMWSNEJBZMQHQX-QSLWVIQJSA-N 2 0 239.407 1.623 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000643462774 387322242 /nfs/dbraw/zinc/32/22/42/387322242.db2.gz LBHJWBZPUBIVIB-LOWVWBTDSA-N 2 0 225.380 1.186 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423475177 387322336 /nfs/dbraw/zinc/32/23/36/387322336.db2.gz RSMAMGGZIVFPCY-FDYHWXHSSA-N 2 0 238.375 1.661 20 0 BDADRP CCC[NH2+]CCNC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423474243 387322949 /nfs/dbraw/zinc/32/29/49/387322949.db2.gz YZMNSZSNGBBNDJ-NSHDSACASA-N 2 0 249.358 1.436 20 0 BDADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccn(C)n1 ZINC000423477562 387324062 /nfs/dbraw/zinc/32/40/62/387324062.db2.gz KAZCUCGWWUVCHS-NWDGAFQWSA-N 2 0 236.363 1.603 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1ccnn1C ZINC000423476771 387324413 /nfs/dbraw/zinc/32/44/13/387324413.db2.gz RJFAJQSZADVUOB-TUAOUCFPSA-N 2 0 236.363 1.588 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000423476602 387324772 /nfs/dbraw/zinc/32/47/72/387324772.db2.gz JBSGCONMFAHRQJ-HZSPNIEDSA-N 3 0 239.407 1.591 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423479296 387326605 /nfs/dbraw/zinc/32/66/05/387326605.db2.gz MBZVQRLMNWPVCH-RDBSUJKOSA-N 3 0 239.407 1.496 20 0 BDADRP Cc1cc(N)cc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000423482736 387329843 /nfs/dbraw/zinc/32/98/43/387329843.db2.gz RZZHDQOXVCYQRT-GXTWGEPZSA-N 2 0 233.359 1.794 20 0 BDADRP COCC1CCC([NH2+][C@@H](C)[C@H](C)[NH3+])CC1 ZINC000423482984 387330092 /nfs/dbraw/zinc/33/00/92/387330092.db2.gz XQLQYRIMWAQTMV-JYBOHDQNSA-N 2 0 214.353 1.517 20 0 BDADRP CCC[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)C1CCC1 ZINC000423492197 387335233 /nfs/dbraw/zinc/33/52/33/387335233.db2.gz MBCYADYBKQODTP-KBPBESRZSA-N 2 0 240.391 1.923 20 0 BDADRP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423493902 387338633 /nfs/dbraw/zinc/33/86/33/387338633.db2.gz RHGHQBRVWURMGL-MGPQQGTHSA-N 2 0 240.391 1.923 20 0 BDADRP CC[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC000423498277 387340068 /nfs/dbraw/zinc/34/00/68/387340068.db2.gz GRSITSBLPVBBSN-CYDGBPFRSA-N 3 0 225.380 1.234 20 0 BDADRP CC[N@H+]1C[C@H](N2C[C@@H](C)[C@](C)(C[NH3+])C2)[C@@H](C)C1 ZINC000423501190 387341163 /nfs/dbraw/zinc/34/11/63/387341163.db2.gz AYZMSWIPAUKMOR-RFQIPJPRSA-N 2 0 239.407 1.243 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(F)cn1 ZINC000423513359 387347918 /nfs/dbraw/zinc/34/79/18/387347918.db2.gz RHPWVOZPFVXPCS-HOSYDEDBSA-N 2 0 237.322 1.999 20 0 BDADRP Cn1ccnc1[C@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000373228630 387348666 /nfs/dbraw/zinc/34/86/66/387348666.db2.gz MQDDSZJXRAOPRS-NSHDSACASA-N 2 0 245.330 1.523 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)[C@@H](C)O1 ZINC000423515638 387351307 /nfs/dbraw/zinc/35/13/07/387351307.db2.gz SRLMULUHGCCMFQ-ZIQFBCGOSA-N 2 0 212.337 1.269 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)C1(C)CC1 ZINC000423521509 387352573 /nfs/dbraw/zinc/35/25/73/387352573.db2.gz QXEBFBVRBPCGOG-GHMZBOCLSA-N 2 0 212.337 1.143 20 0 BDADRP CC[C@@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423519422 387353425 /nfs/dbraw/zinc/35/34/25/387353425.db2.gz PSSLPRLZSYGBOG-IYXRBSQSSA-N 2 0 239.407 1.591 20 0 BDADRP CO[C@@H](C)[C@H](C)[NH2+]CCC[NH2+]C1CC1 ZINC000423519236 387353729 /nfs/dbraw/zinc/35/37/29/387353729.db2.gz DBSPKLNHGHWUIS-UWVGGRQHSA-N 2 0 200.326 1.142 20 0 BDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)CC[C@H](C)[NH3+] ZINC000423779899 387424948 /nfs/dbraw/zinc/42/49/48/387424948.db2.gz VZOMHUSAENNMKC-RYUDHWBXSA-N 2 0 243.395 1.350 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000643469345 387427712 /nfs/dbraw/zinc/42/77/12/387427712.db2.gz LZCDFBPHJZYVAS-WDEREUQCSA-N 2 0 245.330 1.805 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)N(CC)CCC[NH+](C)C ZINC000423797342 387429292 /nfs/dbraw/zinc/42/92/92/387429292.db2.gz NXVXBEQNBDRBKB-GFCCVEGCSA-N 2 0 243.395 1.175 20 0 BDADRP CCCC[C@@H]([NH3+])C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000423839160 387435600 /nfs/dbraw/zinc/43/56/00/387435600.db2.gz CMAKNXRAXWBNFV-GFCCVEGCSA-N 2 0 241.379 1.057 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)cc1 ZINC000336601230 387445216 /nfs/dbraw/zinc/44/52/16/387445216.db2.gz QFFONWYDGYUKEH-TZMCWYRMSA-N 2 0 245.326 1.083 20 0 BDADRP CSC1(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000304235123 387450503 /nfs/dbraw/zinc/45/05/03/387450503.db2.gz BTQLIFYCVGLHKD-LLVKDONJSA-N 2 0 240.416 1.956 20 0 BDADRP CC[C@@H]([NH3+])CNC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000423675832 387395532 /nfs/dbraw/zinc/39/55/32/387395532.db2.gz ICXBICJTJYKKHD-VXGBXAGGSA-N 2 0 241.379 1.138 20 0 BDADRP CC[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000515637872 387404264 /nfs/dbraw/zinc/40/42/64/387404264.db2.gz ZTFHFYGVPNQRPI-OLZOCXBDSA-N 2 0 228.380 1.467 20 0 BDADRP CC[C@@H](Cc1cccs1)NCC[NH2+]C ZINC000643504473 387418363 /nfs/dbraw/zinc/41/83/63/387418363.db2.gz WJORPSRUNRBNQL-JTQLQIEISA-N 2 0 212.362 1.878 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC000643475332 387508985 /nfs/dbraw/zinc/50/89/85/387508985.db2.gz GYDFGGUQEKTDFE-VXGBXAGGSA-N 2 0 212.337 1.286 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000643475459 387509396 /nfs/dbraw/zinc/50/93/96/387509396.db2.gz UZMNUYFYVLDVTQ-BEUHCMRWSA-N 2 0 238.375 1.817 20 0 BDADRP C[C@]1(CNC(N)=[NH2+])CC[N@H+](Cc2ccccc2)C1 ZINC000307642154 387529171 /nfs/dbraw/zinc/52/91/71/387529171.db2.gz LBQHDHFSZWFOQZ-CQSZACIVSA-N 2 0 246.358 1.382 20 0 BDADRP C[N@H+](CCCO)C1CCN(CC2(F)CC2)CC1 ZINC000527219702 387535806 /nfs/dbraw/zinc/53/58/06/387535806.db2.gz XMIHHXKAUWXFGM-UHFFFAOYSA-N 2 0 244.354 1.267 20 0 BDADRP CC[N@H+](C)C[C@H]1CCN(CC2(F)CC2)C1 ZINC000527219252 387537974 /nfs/dbraw/zinc/53/79/74/387537974.db2.gz AAAVESHKBOSXQJ-LLVKDONJSA-N 2 0 214.328 1.762 20 0 BDADRP CC[NH+](CC)CCC[N@H+](C)C[C@@H](C)O ZINC000361505492 387473476 /nfs/dbraw/zinc/47/34/76/387473476.db2.gz PIRJINVZUZCUHR-LLVKDONJSA-N 2 0 202.342 1.031 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000643470998 387477331 /nfs/dbraw/zinc/47/73/31/387477331.db2.gz GXMKXSXESSLCGA-FVCCEPFGSA-N 2 0 226.364 1.255 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@@H](CO)CC1)[C@@H]1CCCC[NH2+]1 ZINC000643471021 387477496 /nfs/dbraw/zinc/47/74/96/387477496.db2.gz LXYUMJQNINQUKO-FQUUOJAGSA-N 2 0 240.391 1.658 20 0 BDADRP Cc1ccc(CCC[N@@H+]2C[C@H](CO)[C@H](C)C2)cn1 ZINC000355147703 387486646 /nfs/dbraw/zinc/48/66/46/387486646.db2.gz DHBMRVQPHSMWJI-IUODEOHRSA-N 2 0 248.370 1.883 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+]CCC[NH2+]C(C)C)C1 ZINC000643508405 387490021 /nfs/dbraw/zinc/49/00/21/387490021.db2.gz DPZSSGDZILCUJY-OLZOCXBDSA-N 2 0 228.380 1.922 20 0 BDADRP Cc1n[nH]cc1[C@H](C)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000643510608 387583321 /nfs/dbraw/zinc/58/33/21/387583321.db2.gz WUTSQBKFBZKDKN-JQWIXIFHSA-N 2 0 236.363 1.758 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)C1 ZINC000643511804 387594172 /nfs/dbraw/zinc/59/41/72/387594172.db2.gz PCGCAWMGWFRQBO-UTUOFQBUSA-N 2 0 214.353 1.517 20 0 BDADRP C[C@H]([NH2+]CC1(CO)CCCC1)[C@@H]1CCC[NH2+]1 ZINC000400742966 387595799 /nfs/dbraw/zinc/59/57/99/387595799.db2.gz UANMWXHNQWZZGA-RYUDHWBXSA-N 2 0 226.364 1.269 20 0 BDADRP C([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@@H]1CCCOC1 ZINC000527532325 387597683 /nfs/dbraw/zinc/59/76/83/387597683.db2.gz MZTJGXATYXJTDM-NWDGAFQWSA-N 2 0 224.348 1.287 20 0 BDADRP C[NH+](C)C1CCC([NH2+]CC[NH2+]C(C)(C)C)CC1 ZINC000422555437 387598818 /nfs/dbraw/zinc/59/88/18/387598818.db2.gz PTILFXDLQUFFRD-UHFFFAOYSA-N 3 0 241.423 1.837 20 0 BDADRP C1CC2(C1)[NH2+]CC[C@H]2[NH2+]C1CCOCC1 ZINC000527532277 387599083 /nfs/dbraw/zinc/59/90/83/387599083.db2.gz LKJCETZISIPUJS-LLVKDONJSA-N 2 0 210.321 1.040 20 0 BDADRP CC[NH+](CC)CCCN1CCO[C@@H](C2CC2)C1 ZINC000375980024 387599641 /nfs/dbraw/zinc/59/96/41/387599641.db2.gz IMVCRLMYACXKRF-CQSZACIVSA-N 2 0 240.391 1.829 20 0 BDADRP [NH3+]C1CCC([NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000527532659 387600159 /nfs/dbraw/zinc/60/01/59/387600159.db2.gz NKSITTBIIRSRKB-MCIGGMRASA-N 3 0 223.364 1.131 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](CCOCC2CC2)C[C@@H]1C[NH3+] ZINC000422635892 387611229 /nfs/dbraw/zinc/61/12/29/387611229.db2.gz LZXJLNXFNIIXIB-DYEKYZERSA-N 2 0 240.391 1.718 20 0 BDADRP CC[N@@H+]1CC[C@@H](CN[C@@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000422694303 387613072 /nfs/dbraw/zinc/61/30/72/387613072.db2.gz NSQCTRMRPMOITA-RWMBFGLXSA-N 2 0 225.380 1.058 20 0 BDADRP COC[C@H](C)C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422698703 387615177 /nfs/dbraw/zinc/61/51/77/387615177.db2.gz APEIROXVHHAFAO-GRYCIOLGSA-N 2 0 214.353 1.247 20 0 BDADRP C[N@H+](CCN[C@H]1CCC[C@@H]1[NH3+])C1CCCCC1 ZINC000422703596 387619275 /nfs/dbraw/zinc/61/92/75/387619275.db2.gz NMTQEOQSFSHOFE-KBPBESRZSA-N 2 0 239.407 1.720 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000422705408 387620113 /nfs/dbraw/zinc/62/01/13/387620113.db2.gz BTYYQISQONXUKD-NNYUYHANSA-N 2 0 214.353 1.110 20 0 BDADRP CCCC[N@H+](C)CCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000422708542 387623732 /nfs/dbraw/zinc/62/37/32/387623732.db2.gz JBRPMMDMTHMPFX-KGLIPLIRSA-N 2 0 241.423 1.968 20 0 BDADRP CCCC[N@H+](C)CCN[C@@H](C)C[C@@H](C)[NH3+] ZINC000422712483 387625550 /nfs/dbraw/zinc/62/55/50/387625550.db2.gz OHIRKFQXEDKTNB-NEPJUHHUSA-N 2 0 215.385 1.434 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+]CC1=CCCOC1 ZINC000124642593 387625623 /nfs/dbraw/zinc/62/56/23/387625623.db2.gz BSMCRKSHPORXCW-UHFFFAOYSA-N 2 0 226.364 1.653 20 0 BDADRP COc1cccc([C@H](C)[NH2+][C@H](C)C2C[NH2+]C2)c1 ZINC000422711448 387626160 /nfs/dbraw/zinc/62/61/60/387626160.db2.gz NCMBXWPBXPIJHU-WDEREUQCSA-N 2 0 234.343 1.954 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)COC)[C@@H](C)C1 ZINC000426339923 387556250 /nfs/dbraw/zinc/55/62/50/387556250.db2.gz YDQNNIBFKMXJFO-STQMWFEESA-N 2 0 242.407 1.979 20 0 BDADRP C[C@H]([NH2+]CCCC[NH3+])c1nc2ccccc2n1C ZINC000037715008 387565208 /nfs/dbraw/zinc/56/52/08/387565208.db2.gz GQNYFYUUZNULON-NSHDSACASA-N 2 0 246.358 1.963 20 0 BDADRP COC(=O)c1cc(C[NH2+]CCCC[NH3+])oc1C ZINC000037715517 387565516 /nfs/dbraw/zinc/56/55/16/387565516.db2.gz TUIOMGLFVOBGGT-UHFFFAOYSA-N 2 0 240.303 1.203 20 0 BDADRP C[C@@H]([NH2+]CCC[NH3+])c1ccc(-n2ccnc2)cc1 ZINC000037713527 387565610 /nfs/dbraw/zinc/56/56/10/387565610.db2.gz NPCTYWOKASUTJS-GFCCVEGCSA-N 2 0 244.342 1.872 20 0 BDADRP Cc1nccn1CCC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000422724548 387633850 /nfs/dbraw/zinc/63/38/50/387633850.db2.gz VYQDRJDHWBNTRY-STQMWFEESA-N 2 0 236.363 1.299 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](CCCCCOC)C1 ZINC000430605999 387634068 /nfs/dbraw/zinc/63/40/68/387634068.db2.gz VBUIXCXDSVQAEC-ZDUSSCGKSA-N 2 0 228.380 1.735 20 0 BDADRP Cc1ccn2cc(C[NH2+][C@H](C)CCC[NH3+])nc2c1 ZINC000422720551 387634317 /nfs/dbraw/zinc/63/43/17/387634317.db2.gz SRMJWELTJFFRCI-GFCCVEGCSA-N 2 0 246.358 1.860 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CCc1ccc2c(c1)CCO2 ZINC000422727612 387634897 /nfs/dbraw/zinc/63/48/97/387634897.db2.gz HOAJJHVYNVBPIX-LBPRGKRZSA-N 2 0 248.370 1.881 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC1CCSCC1 ZINC000422730873 387638861 /nfs/dbraw/zinc/63/88/61/387638861.db2.gz MPGCTIHLRBDEEA-ZJUUUORDSA-N 2 0 216.394 1.845 20 0 BDADRP COc1ccc(CC[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000422736687 387642450 /nfs/dbraw/zinc/64/24/50/387642450.db2.gz WGCAVGGKABTUFM-NSHDSACASA-N 2 0 234.343 1.435 20 0 BDADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H](C)[NH+](C)C ZINC000422736578 387643300 /nfs/dbraw/zinc/64/33/00/387643300.db2.gz GQQQNFDNMVKPHP-KCQAQPDRSA-N 2 0 249.402 1.485 20 0 BDADRP C[C@H](CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+])[NH+](C)C ZINC000422736577 387643433 /nfs/dbraw/zinc/64/34/33/387643433.db2.gz GQQQNFDNMVKPHP-IPYPFGDCSA-N 2 0 249.402 1.485 20 0 BDADRP CCC[C@@H]([NH3+])C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000430729108 387644817 /nfs/dbraw/zinc/64/48/17/387644817.db2.gz FGASFDFLWFKKRH-GHMZBOCLSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@H](CN[C@H](C)[C@@H]1CCC[NH2+]1)[N@H+](C)C1CC1 ZINC000422737407 387645127 /nfs/dbraw/zinc/64/51/27/387645127.db2.gz IAOIYJJKTMDZLR-WZRBSPASSA-N 2 0 225.380 1.199 20 0 BDADRP CCC[NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000422737669 387645743 /nfs/dbraw/zinc/64/57/43/387645743.db2.gz XQKPVKDRAPEETP-NSHDSACASA-N 2 0 242.363 1.307 20 0 BDADRP C[NH+](C)[C@@H]1CCC[N@H+](CCOC2CCC2)CC1 ZINC000376519629 387647089 /nfs/dbraw/zinc/64/70/89/387647089.db2.gz RCSHYNQGUAQPOM-CYBMUJFWSA-N 2 0 240.391 1.972 20 0 BDADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCC[NH+](C)C ZINC000422747161 387650384 /nfs/dbraw/zinc/65/03/84/387650384.db2.gz PGZLOTPQWOZKIP-ZFWWWQNUSA-N 2 0 249.402 1.486 20 0 BDADRP C[C@H](CN[C@@H]1C[NH2+]CC[C@H]1C)[N@H+](C)C1CC1 ZINC000422747236 387650422 /nfs/dbraw/zinc/65/04/22/387650422.db2.gz YDXHFJXXLXOMHQ-NQBHXWOUSA-N 2 0 225.380 1.057 20 0 BDADRP CC[C@H](NC[C@@H](C)[N@H+](C)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000422746222 387650967 /nfs/dbraw/zinc/65/09/67/387650967.db2.gz WEWVQQOOCRDDPK-XBFCOCLRSA-N 2 0 239.407 1.589 20 0 BDADRP CC[NH+](CC)CCN[C@@H](C)c1c[nH+]ccc1N ZINC000422747143 387651262 /nfs/dbraw/zinc/65/12/62/387651262.db2.gz PFWVLGMFWUXJAO-NSHDSACASA-N 2 0 236.363 1.487 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@H]1CCN(C2CC2)C1 ZINC000422747457 387651305 /nfs/dbraw/zinc/65/13/05/387651305.db2.gz YSMISYMCUHVGNP-IACUBPJLSA-N 2 0 237.391 1.473 20 0 BDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)CCC[NH3+])C[C@H]1C ZINC000430799140 387652077 /nfs/dbraw/zinc/65/20/77/387652077.db2.gz APCDWZGBANJMME-NEPJUHHUSA-N 2 0 241.379 1.057 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc2c(c1)OCO2 ZINC000422748562 387653642 /nfs/dbraw/zinc/65/36/42/387653642.db2.gz VBDLRRXWTUJBOS-NXEZZACHSA-N 2 0 236.315 1.631 20 0 BDADRP CC(C)(C)C[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422751972 387655621 /nfs/dbraw/zinc/65/56/21/387655621.db2.gz CBQDEZIFCUJDRR-ZGVCCVRISA-N 2 0 240.391 1.656 20 0 BDADRP CCCC[C@H](COC)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422749838 387656062 /nfs/dbraw/zinc/65/60/62/387656062.db2.gz BCTOMCQACMIFHK-CMPLNLGQSA-N 2 0 214.353 1.389 20 0 BDADRP CC[C@@H]([NH2+]CCCOC(C)C)[C@@H]1CCC[NH2+]1 ZINC000422759708 387660266 /nfs/dbraw/zinc/66/02/66/387660266.db2.gz LDUBJUSOJUEBAO-OLZOCXBDSA-N 2 0 228.380 1.922 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCN(C)Cc1ccccc1 ZINC000422756562 387660640 /nfs/dbraw/zinc/66/06/40/387660640.db2.gz JASJJMUORMQZBC-UONOGXRCSA-N 2 0 249.402 1.834 20 0 BDADRP CC(C)[NH+](CCN[C@@H]1CCC[C@@H]1[NH3+])C(C)C ZINC000422765990 387664804 /nfs/dbraw/zinc/66/48/04/387664804.db2.gz WUAGWZLRVJGJIQ-QWHCGFSZSA-N 2 0 227.396 1.575 20 0 BDADRP COc1cccc(CCC[N@@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000430964314 387665369 /nfs/dbraw/zinc/66/53/69/387665369.db2.gz YSCRIXLMDQEEDE-AWEZNQCLSA-N 2 0 248.370 1.908 20 0 BDADRP CSC[C@H](C)[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422764155 387665899 /nfs/dbraw/zinc/66/58/99/387665899.db2.gz URLJKORSICJFGJ-OUAUKWLOSA-N 2 0 216.394 1.716 20 0 BDADRP CC[C@H](COC)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422766798 387668942 /nfs/dbraw/zinc/66/89/42/387668942.db2.gz QGQSAUZIUPSYGS-MOENNCHZSA-N 2 0 214.353 1.519 20 0 BDADRP [NH3+]CC1CCC([NH2+]C[C@@H]2CCCC[C@H]2O)CC1 ZINC000422775331 387672533 /nfs/dbraw/zinc/67/25/33/387672533.db2.gz BCXOMNAMLRLOBL-GNRIBBGQSA-N 2 0 240.391 1.645 20 0 BDADRP CCCCOCC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000422776539 387672569 /nfs/dbraw/zinc/67/25/69/387672569.db2.gz CVTHXIIOKTYXJF-RWMBFGLXSA-N 2 0 244.379 1.145 20 0 BDADRP C[C@@H]([NH2+]CCCOC1CCCCC1)C1C[NH2+]C1 ZINC000422779297 387678155 /nfs/dbraw/zinc/67/81/55/387678155.db2.gz FTMUTBKIDGDCAY-GFCCVEGCSA-N 2 0 240.391 1.923 20 0 BDADRP CO[C@@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422793532 387696292 /nfs/dbraw/zinc/69/62/92/387696292.db2.gz SHZZSMKNWQBLIN-PJIALRRASA-N 2 0 238.375 1.817 20 0 BDADRP C[C@@H]([NH2+]Cc1cccc2cccnc21)C1C[NH2+]C1 ZINC000422779052 387678520 /nfs/dbraw/zinc/67/85/20/387678520.db2.gz IHECBXNBCYLIGF-LLVKDONJSA-N 2 0 241.338 1.932 20 0 BDADRP COC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)C(C)C ZINC000422781696 387680523 /nfs/dbraw/zinc/68/05/23/387680523.db2.gz MILHXGWNGFLXJQ-XQQFMLRXSA-N 2 0 228.380 1.635 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCOCC1CC1 ZINC000422782233 387681573 /nfs/dbraw/zinc/68/15/73/387681573.db2.gz JPLHJQIFPTWLDH-OCCSQVGLSA-N 2 0 240.391 1.781 20 0 BDADRP COCCOCCC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422784342 387683637 /nfs/dbraw/zinc/68/36/37/387683637.db2.gz LVSBYRFHSCOLOL-STQMWFEESA-N 2 0 244.379 1.017 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)[C@@H]1CCCC[NH2+]1 ZINC000422786351 387685581 /nfs/dbraw/zinc/68/55/81/387685581.db2.gz QFXLAEPQVDCHGK-CRWXNKLISA-N 2 0 240.391 1.658 20 0 BDADRP CC(C)COCCC[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422786962 387686942 /nfs/dbraw/zinc/68/69/42/387686942.db2.gz PKFGDJSRFXKGFO-NWDGAFQWSA-N 2 0 214.353 1.519 20 0 BDADRP O[C@H]1CCCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422786763 387687590 /nfs/dbraw/zinc/68/75/90/387687590.db2.gz QQZJEJWYXIJEDV-YIPFDTCYSA-N 2 0 238.375 1.410 20 0 BDADRP CCOC[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000044688327 387689295 /nfs/dbraw/zinc/68/92/95/387689295.db2.gz FENNUXIFLWGNER-LBPRGKRZSA-N 2 0 228.380 1.874 20 0 BDADRP C[C@@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)C[C@H](C)O ZINC000422791198 387692895 /nfs/dbraw/zinc/69/28/95/387692895.db2.gz VQFJWXLPVWJUJJ-KXNHARMFSA-N 2 0 214.353 1.124 20 0 BDADRP CC(C)[C@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128290173 387743126 /nfs/dbraw/zinc/74/31/26/387743126.db2.gz LKNBBQOHTSMJFG-AWEZNQCLSA-N 2 0 241.423 1.648 20 0 BDADRP COCC[C@@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422860999 387743722 /nfs/dbraw/zinc/74/37/22/387743722.db2.gz NMUPEBJRPDIANY-MXWKQRLJSA-N 2 0 200.326 1.142 20 0 BDADRP C[C@@H](NCC[N@@H+]1CCCC[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422862096 387744436 /nfs/dbraw/zinc/74/44/36/387744436.db2.gz NJVMRFHSXYPWOY-MJBXVCDLSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@H](NCC[N@@H+]1CCCC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000422862089 387745147 /nfs/dbraw/zinc/74/51/47/387745147.db2.gz NJVMRFHSXYPWOY-HZSPNIEDSA-N 2 0 239.407 1.591 20 0 BDADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422863384 387746233 /nfs/dbraw/zinc/74/62/33/387746233.db2.gz LJPRHXXUGZATLS-YNEHKIRRSA-N 3 0 245.411 1.059 20 0 BDADRP C[C@@H]([NH3+])C[NH2+][C@H]1CCc2ccccc2C1 ZINC000643526186 387750702 /nfs/dbraw/zinc/75/07/02/387750702.db2.gz SERSRVNBLGIYGY-MFKMUULPSA-N 2 0 204.317 1.481 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCCS1)[C@@H]1CCC[NH2+]1 ZINC000422874966 387751756 /nfs/dbraw/zinc/75/17/56/387751756.db2.gz OIEKDRBIQFEPNX-VWYCJHECSA-N 2 0 214.378 1.612 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000422873136 387752812 /nfs/dbraw/zinc/75/28/12/387752812.db2.gz KCYDVBABRFKXHY-NQBHXWOUSA-N 2 0 225.380 1.186 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C2CC([NH+](C)C)C2)CCO1 ZINC000521460739 387753471 /nfs/dbraw/zinc/75/34/71/387753471.db2.gz LELZDPJWMQDENI-DMOGRIERSA-N 2 0 212.337 1.236 20 0 BDADRP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)[C@@H]1CC12CC2 ZINC000527845850 387753820 /nfs/dbraw/zinc/75/38/20/387753820.db2.gz AKHWNXNAPDCSMO-XQQFMLRXSA-N 2 0 238.375 1.221 20 0 BDADRP C([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCS1 ZINC000422877109 387754568 /nfs/dbraw/zinc/75/45/68/387754568.db2.gz QZYJIQAUKRPSCD-MBYGNEARSA-N 2 0 226.389 1.755 20 0 BDADRP CN(CC[NH2+]C1CC[NH2+]CC1)c1ccccc1 ZINC000422806066 387705051 /nfs/dbraw/zinc/70/50/51/387705051.db2.gz HSGBBEQTMZFBFP-UHFFFAOYSA-N 2 0 233.359 1.464 20 0 BDADRP CCC(CC)(CCO)C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422806290 387705360 /nfs/dbraw/zinc/70/53/60/387705360.db2.gz HVVAQFIYYPYSON-NEPJUHHUSA-N 2 0 228.380 1.645 20 0 BDADRP CO[C@H](C[NH2+][C@@H](C)C[C@@H](C)[NH3+])C(C)(C)C ZINC000422806900 387706338 /nfs/dbraw/zinc/70/63/38/387706338.db2.gz IWWDIMFAIYLITC-OUAUKWLOSA-N 2 0 216.369 1.763 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](OC)C(C)(C)C ZINC000422811274 387707998 /nfs/dbraw/zinc/70/79/98/387707998.db2.gz OWVLHTJHKSVOFL-NWDGAFQWSA-N 2 0 246.395 1.391 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)C1CC[NH+](C)CC1 ZINC000643521301 387710829 /nfs/dbraw/zinc/71/08/29/387710829.db2.gz NNWPZPKJRDWWHB-TZMCWYRMSA-N 3 0 239.407 1.448 20 0 BDADRP CC[N@H+](CCN[C@H]1CC[NH2+]CC[C@@H]1C)C1CC1 ZINC000422876968 387755313 /nfs/dbraw/zinc/75/53/13/387755313.db2.gz GZWOECFOXCBDKJ-JSGCOSHPSA-N 2 0 239.407 1.448 20 0 BDADRP CC(C)C[C@H](CCO)C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422813623 387712446 /nfs/dbraw/zinc/71/24/46/387712446.db2.gz YHCPUBMYVBPSNS-AGIUHOORSA-N 2 0 230.396 1.747 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@]1(C)CCCC[C@H]1O ZINC000422817007 387713695 /nfs/dbraw/zinc/71/36/95/387713695.db2.gz BYOWSWOYKPKSST-WUHRBBMRSA-N 2 0 228.380 1.643 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCN(C)c1ccccc1 ZINC000422814774 387714341 /nfs/dbraw/zinc/71/43/41/387714341.db2.gz WBBIPPGBKFVHAV-OLZOCXBDSA-N 2 0 235.375 1.838 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643521784 387716072 /nfs/dbraw/zinc/71/60/72/387716072.db2.gz BNGGJORYQXSYBG-MJBXVCDLSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H]([NH2+]C[C@]1(C)CCCC[C@@H]1O)C1C[NH2+]C1 ZINC000422818696 387717019 /nfs/dbraw/zinc/71/70/19/387717019.db2.gz GXFFTKIMJFPOLM-DRZSPHRISA-N 2 0 226.364 1.125 20 0 BDADRP C[C@H]([NH2+]C[C@]1(C)CCCC[C@H]1O)C1C[NH2+]C1 ZINC000422818697 387717261 /nfs/dbraw/zinc/71/72/61/387717261.db2.gz GXFFTKIMJFPOLM-UHTWSYAYSA-N 2 0 226.364 1.125 20 0 BDADRP CC(C)C[C@H](CN[C@@H]1C[NH2+]CC[C@@H]1C)[NH+](C)C ZINC000422821686 387718224 /nfs/dbraw/zinc/71/82/24/387718224.db2.gz XVVCJVKNXTZNKS-BFHYXJOUSA-N 2 0 241.423 1.550 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCc1cccnc1 ZINC000422824016 387719839 /nfs/dbraw/zinc/71/98/39/387719839.db2.gz FXTSLLYVHCYBKK-ZIAGYGMSSA-N 2 0 233.359 1.874 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CCCNc1ccccn1 ZINC000422828853 387723438 /nfs/dbraw/zinc/72/34/38/387723438.db2.gz BMTYBKDAZHJTJW-LBPRGKRZSA-N 2 0 236.363 1.601 20 0 BDADRP Cc1nccn1CC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422830283 387724402 /nfs/dbraw/zinc/72/44/02/387724402.db2.gz CKFKHSUWXSZXDK-CHWSQXEVSA-N 2 0 236.363 1.441 20 0 BDADRP COC[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)C1CCCC1 ZINC000643523200 387724760 /nfs/dbraw/zinc/72/47/60/387724760.db2.gz XLTYNTNXPSOLHH-KGLIPLIRSA-N 2 0 240.391 1.923 20 0 BDADRP CCC[N@H+](CC)CCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422832550 387725645 /nfs/dbraw/zinc/72/56/45/387725645.db2.gz XYAMMMLXJOCLHO-KGLIPLIRSA-N 2 0 241.423 1.696 20 0 BDADRP CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)C1CC1 ZINC000127774106 387725824 /nfs/dbraw/zinc/72/58/24/387725824.db2.gz IGVAXLXZMSWORQ-TZMCWYRMSA-N 2 0 239.407 1.401 20 0 BDADRP COC1CCC(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000422837320 387728021 /nfs/dbraw/zinc/72/80/21/387728021.db2.gz LXKXYXHTOLACMG-IFWUJCSASA-N 2 0 226.364 1.661 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])N[C@@H](C)C[NH+]1CCCCC1 ZINC000422838089 387729116 /nfs/dbraw/zinc/72/91/16/387729116.db2.gz VZTUCJMTGTXXLE-XQQFMLRXSA-N 2 0 227.396 1.576 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000422835712 387729582 /nfs/dbraw/zinc/72/95/82/387729582.db2.gz IYKBCSLNJTUEBV-UPJWGTAASA-N 3 0 227.396 1.576 20 0 BDADRP C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)[C@H]1CCC[NH2+]1 ZINC000422841184 387730582 /nfs/dbraw/zinc/73/05/82/387730582.db2.gz VKHMEIBIUJSVBG-RFQIPJPRSA-N 2 0 239.407 1.589 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128055112 387734175 /nfs/dbraw/zinc/73/41/75/387734175.db2.gz SSCZUFZLJGZCTH-XQQFMLRXSA-N 2 0 226.364 1.364 20 0 BDADRP CO[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1(C)C ZINC000422852702 387737567 /nfs/dbraw/zinc/73/75/67/387737567.db2.gz RDBQETJDAOUJQK-NRUFJFEESA-N 2 0 238.375 1.673 20 0 BDADRP CC(C)[C@@H]([NH3+])CNC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000422855482 387737904 /nfs/dbraw/zinc/73/79/04/387737904.db2.gz VPHRMCXGXHDLKC-GWCFXTLKSA-N 2 0 249.358 1.419 20 0 BDADRP CC(C)[C@@H]([NH3+])CNC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000422855486 387738990 /nfs/dbraw/zinc/73/89/90/387738990.db2.gz VPHRMCXGXHDLKC-MFKMUULPSA-N 2 0 249.358 1.419 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000422891044 387762310 /nfs/dbraw/zinc/76/23/10/387762310.db2.gz ULVRHFXNTYXEDE-YVECIDJPSA-N 2 0 226.364 1.661 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCOCC1CC1 ZINC000422892692 387762882 /nfs/dbraw/zinc/76/28/82/387762882.db2.gz ZHBINUHDIVJLOG-QWHCGFSZSA-N 2 0 226.364 1.663 20 0 BDADRP CC[C@H](O)CC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422894352 387765219 /nfs/dbraw/zinc/76/52/19/387765219.db2.gz SYFBSPITXQUFSA-SRVKXCTJSA-N 2 0 214.353 1.125 20 0 BDADRP COC[C@@H]([NH2+]C[C@H](C)[NH3+])C1CCCC1 ZINC000643527547 387766102 /nfs/dbraw/zinc/76/61/02/387766102.db2.gz OJCCCXTZFYGACB-GXSJLCMTSA-N 2 0 200.326 1.128 20 0 BDADRP Cc1ccc(C[NH2+][C@@H](C)C2C[NH2+]C2)s1 ZINC000422895399 387766557 /nfs/dbraw/zinc/76/65/57/387766557.db2.gz VWFLJILONASLLQ-VIFPVBQESA-N 2 0 210.346 1.754 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CN[C@H]1C[NH2+]CC[C@@H]1C ZINC000422909696 387768388 /nfs/dbraw/zinc/76/83/88/387768388.db2.gz OSZGGGJHECWEGY-MJBXVCDLSA-N 2 0 239.407 1.448 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CN[C@H]1CCC[C@@H]1C[NH3+] ZINC000422910918 387769203 /nfs/dbraw/zinc/76/92/03/387769203.db2.gz RVYFGBZRHFSMMT-MCIONIFRSA-N 2 0 239.407 1.578 20 0 BDADRP FCCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000378168221 387770394 /nfs/dbraw/zinc/77/03/94/387770394.db2.gz JWEBLTMYTTVWSF-FRRDWIJNSA-N 2 0 226.339 1.762 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422915040 387771229 /nfs/dbraw/zinc/77/12/29/387771229.db2.gz AMJMKPUFFJMUPM-AVGNSLFASA-N 2 0 228.380 1.515 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422915502 387773159 /nfs/dbraw/zinc/77/31/59/387773159.db2.gz BCLOYMSLWBPCJC-AVGNSLFASA-N 2 0 228.380 1.658 20 0 BDADRP CCC1(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])CC1 ZINC000422920063 387774872 /nfs/dbraw/zinc/77/48/72/387774872.db2.gz LNMPKJZHPNSNIZ-GRYCIOLGSA-N 2 0 226.364 1.519 20 0 BDADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422920059 387776418 /nfs/dbraw/zinc/77/64/18/387776418.db2.gz LMUJJRWUCLGWKC-RFGFWPKPSA-N 2 0 240.391 1.907 20 0 BDADRP Cc1cccc(NCC[NH2+][C@@H]2CCC[C@H]2[NH3+])n1 ZINC000422922806 387777497 /nfs/dbraw/zinc/77/74/97/387777497.db2.gz UPADZDJWWZBJSB-VXGBXAGGSA-N 2 0 234.347 1.271 20 0 BDADRP [NH3+]CC1CCC([NH2+]C[C@H](O)C(F)(F)F)CC1 ZINC000422935561 387783312 /nfs/dbraw/zinc/78/33/12/387783312.db2.gz KXQRMDKTVCQTHO-HACHORDNSA-N 2 0 240.269 1.017 20 0 BDADRP C[C@H](C[C@H]1CCCO1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422902766 387787104 /nfs/dbraw/zinc/78/71/04/387787104.db2.gz NMBNHLHZJBMVRC-SYCZCVCYSA-N 2 0 238.375 1.817 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000422902695 387787349 /nfs/dbraw/zinc/78/73/49/387787349.db2.gz VANOIOMUWMSSIM-RFGFWPKPSA-N 2 0 237.391 1.201 20 0 BDADRP CCOCC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422902166 387787775 /nfs/dbraw/zinc/78/77/75/387787775.db2.gz TXNAAWZBKFVTDT-GHMZBOCLSA-N 2 0 200.326 1.001 20 0 BDADRP CCC[N@@H+]1CC[C@H](CN[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000422978595 387789358 /nfs/dbraw/zinc/78/93/58/387789358.db2.gz ZSQZQKNYOKHCSR-MGPQQGTHSA-N 2 0 239.407 1.306 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCC1CC(O)C1 ZINC000432419010 387789631 /nfs/dbraw/zinc/78/96/31/387789631.db2.gz YGTPFZMCWGALMH-CJQNXBEJSA-N 2 0 240.391 1.466 20 0 BDADRP CC[C@H](CCO)[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422980247 387790792 /nfs/dbraw/zinc/79/07/92/387790792.db2.gz OYXAYXFVAPZBMY-UTUOFQBUSA-N 2 0 214.353 1.397 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+][C@H](CO)c1ccccc1 ZINC000422983431 387793334 /nfs/dbraw/zinc/79/33/34/387793334.db2.gz ZLKFXINIWXWMQP-NTZNESFSSA-N 2 0 222.332 1.435 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC[C@H]1CCCOC1 ZINC000527931575 387794944 /nfs/dbraw/zinc/79/49/44/387794944.db2.gz SZBITTKMMQBHFW-MCIONIFRSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCCC(C)(C)CO ZINC000422989719 387797826 /nfs/dbraw/zinc/79/78/26/387797826.db2.gz BGEWDJPQRQCFMH-QWHCGFSZSA-N 2 0 242.407 1.763 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC(C)(C)CCCO ZINC000422989461 387797933 /nfs/dbraw/zinc/79/79/33/387797933.db2.gz LWGSGAPOYPQTGE-STQMWFEESA-N 2 0 242.407 1.763 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCn1cccn1 ZINC000422993566 387801786 /nfs/dbraw/zinc/80/17/86/387801786.db2.gz RMRQQYFSLCWWFH-RYUDHWBXSA-N 2 0 222.336 1.133 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCOC1CCCCC1 ZINC000422949160 387807927 /nfs/dbraw/zinc/80/79/27/387807927.db2.gz UFTWFYSCHANXEM-OLZOCXBDSA-N 2 0 226.364 1.805 20 0 BDADRP CC(C)[N@H+](C)CCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000422882529 387758062 /nfs/dbraw/zinc/75/80/62/387758062.db2.gz SMNSRPVSWGNUNQ-STQMWFEESA-N 2 0 227.396 1.304 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422882301 387758261 /nfs/dbraw/zinc/75/82/61/387758261.db2.gz ZWPKZVNPPSAFJH-RKOXZLIFSA-N 2 0 249.402 1.342 20 0 BDADRP CC[N@H+](CCN[C@@H]1C[NH2+]CC[C@H]1C)C(C)C ZINC000422881970 387758527 /nfs/dbraw/zinc/75/85/27/387758527.db2.gz RLKKSGAYLGCPLS-CHWSQXEVSA-N 2 0 227.396 1.304 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)[NH3+])C1(CC)CC ZINC000643526634 387758570 /nfs/dbraw/zinc/75/85/70/387758570.db2.gz CQVIHYBTMKDOHI-GRYCIOLGSA-N 2 0 228.380 1.907 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000422883164 387758668 /nfs/dbraw/zinc/75/86/68/387758668.db2.gz BSQBQSWXOTWFGM-JZRPKSSGSA-N 2 0 226.364 1.659 20 0 BDADRP C[C@H]1CC[NH2+]C[C@H]1NCCOCC1CC1 ZINC000422889016 387760079 /nfs/dbraw/zinc/76/00/79/387760079.db2.gz ONZNCENIBCQCQF-CMPLNLGQSA-N 2 0 212.337 1.001 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)[NH3+])C12CCC2 ZINC000643526970 387760963 /nfs/dbraw/zinc/76/09/63/387760963.db2.gz IAUOIHKNGCPNDX-OUAUKWLOSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@@H]([NH3+])CN(C)[C@@H](CCO)c1ccccc1 ZINC000442667427 387819993 /nfs/dbraw/zinc/81/99/93/387819993.db2.gz ZQOYZQACKYZDSV-YPMHNXCESA-N 2 0 222.332 1.389 20 0 BDADRP C[C@@H]([NH3+])CN(CCO)[C@H]1CCCc2ccccc21 ZINC000442666878 387820073 /nfs/dbraw/zinc/82/00/73/387820073.db2.gz XDXAKVBDOTVARV-DOMZBBRYSA-N 2 0 248.370 1.706 20 0 BDADRP C[NH+](C)[C@H]1CCC[N@H+](CC[C@H]2CCOC2)CC1 ZINC000432795364 387822605 /nfs/dbraw/zinc/82/26/05/387822605.db2.gz WLPRXZIGDZLZMW-KBPBESRZSA-N 2 0 240.391 1.829 20 0 BDADRP CS[C@H](CO)[C@H](C)[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422975464 387822752 /nfs/dbraw/zinc/82/27/52/387822752.db2.gz GUPLPVVXPSDNHT-NOOOWODRSA-N 2 0 246.420 1.077 20 0 BDADRP CCCC(O)(CCC)C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422975003 387822807 /nfs/dbraw/zinc/82/28/07/387822807.db2.gz GCCUQIVGAIJADV-NEPJUHHUSA-N 2 0 228.380 1.787 20 0 BDADRP CC[C@@H](CCO)[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422973570 387824232 /nfs/dbraw/zinc/82/42/32/387824232.db2.gz CCKSKDULOSXXIC-WOPDTQHZSA-N 2 0 214.353 1.268 20 0 BDADRP CCC[C@H](CCO)C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000423004146 387827198 /nfs/dbraw/zinc/82/71/98/387827198.db2.gz JIFHZHQLVICQEJ-MJBXVCDLSA-N 2 0 242.407 1.763 20 0 BDADRP C[C@H]([NH2+][C@@H](C)[C@H]1COc2ccccc21)C1C[NH2+]C1 ZINC000423006154 387828719 /nfs/dbraw/zinc/82/87/19/387828719.db2.gz UIAIZFHUOFYVSQ-COPLHBTASA-N 2 0 246.354 1.749 20 0 BDADRP C[C@H]([NH2+]CCC1Cc2ccccc2C1)C1C[NH2+]C1 ZINC000423009160 387831596 /nfs/dbraw/zinc/83/15/96/387831596.db2.gz CIVABWRKWXEWLI-LBPRGKRZSA-N 2 0 244.382 1.989 20 0 BDADRP CC(C)[C@H](O)C1(C[NH2+][C@@H](C)CCC[NH3+])CC1 ZINC000423011850 387833124 /nfs/dbraw/zinc/83/31/24/387833124.db2.gz BQMJMGGNZOIKIG-RYUDHWBXSA-N 2 0 228.380 1.501 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCNc1ccccn1 ZINC000423010830 387833393 /nfs/dbraw/zinc/83/33/93/387833393.db2.gz YNXBKQPGMXJUKM-WDEREUQCSA-N 2 0 222.336 1.209 20 0 BDADRP CC(C)[C@H](O)C1(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000423011198 387833550 /nfs/dbraw/zinc/83/35/50/387833550.db2.gz APROJLBOGHVRNY-XQQFMLRXSA-N 2 0 240.391 1.501 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](CO)c1ccccc1 ZINC000423011402 387833556 /nfs/dbraw/zinc/83/35/56/387833556.db2.gz ZLKFXINIWXWMQP-LOWVWBTDSA-N 2 0 222.332 1.435 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000423013481 387835476 /nfs/dbraw/zinc/83/54/76/387835476.db2.gz MWTRHVRVVHTYCE-RKDXNWHRSA-N 2 0 242.285 1.407 20 0 BDADRP Cc1cnccc1CC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000423012552 387836563 /nfs/dbraw/zinc/83/65/63/387836563.db2.gz KWNLIQCRHOQURD-IUODEOHRSA-N 2 0 247.386 1.910 20 0 BDADRP C[C@H]([NH2+][C@H]1CCO[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000423015341 387838252 /nfs/dbraw/zinc/83/82/52/387838252.db2.gz KKJDASUSAHUVBU-RHYQMDGZSA-N 2 0 212.337 1.284 20 0 BDADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000423014818 387838340 /nfs/dbraw/zinc/83/83/40/387838340.db2.gz JLODLCFVHFWWBW-NOOOWODRSA-N 2 0 212.337 1.271 20 0 BDADRP Cc1cncc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000423018375 387840605 /nfs/dbraw/zinc/84/06/05/387840605.db2.gz YSPUZUUZZDGTPW-ZIAGYGMSSA-N 2 0 233.359 1.997 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CC12CCC(CC1)C2 ZINC000423017202 387841745 /nfs/dbraw/zinc/84/17/45/387841745.db2.gz VWUOBUFXAHJBHJ-MOKVOYLWSA-N 2 0 240.391 1.910 20 0 BDADRP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)C1(C)C ZINC000423019088 387842190 /nfs/dbraw/zinc/84/21/90/387842190.db2.gz TYFCTHFSRNWPCR-NJMOYASZSA-N 2 0 240.391 1.776 20 0 BDADRP [NH3+]C1CCC([NH2+][C@H](CO)CC2CCCC2)CC1 ZINC000423030269 387845757 /nfs/dbraw/zinc/84/57/57/387845757.db2.gz VWOZXVZHTRUYDN-RUXDESIVSA-N 2 0 240.391 1.787 20 0 BDADRP CC[C@H](Cc1cccs1)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000643533405 387846327 /nfs/dbraw/zinc/84/63/27/387846327.db2.gz RCRQBCHSOYWCMQ-XEZLXBQYSA-N 2 0 236.384 1.877 20 0 BDADRP C[C@H](C[C@H](C)O)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423034683 387847963 /nfs/dbraw/zinc/84/79/63/387847963.db2.gz QHJUUAMGWZLKKD-QKEWWQLBSA-N 2 0 214.353 1.253 20 0 BDADRP C[C@H](N[C@@H]1CCC[N@H+](C)[C@@H]1C)[C@H]1CCC[NH2+]1 ZINC000423032736 387849809 /nfs/dbraw/zinc/84/98/09/387849809.db2.gz NBGCKNMQVKTMKI-UMSGYPCISA-N 2 0 225.380 1.199 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000423037436 387850849 /nfs/dbraw/zinc/85/08/49/387850849.db2.gz BQWGHCUFXTXQEW-RYUDHWBXSA-N 3 0 227.396 1.434 20 0 BDADRP CC(C)(C)[C@@H](CCO)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423037878 387851646 /nfs/dbraw/zinc/85/16/46/387851646.db2.gz NJFPDISBHDVSND-WXRRBKDZSA-N 2 0 242.407 1.891 20 0 BDADRP Cc1cccc(C[C@H](CO)[NH2+][C@@H](C)C2C[NH2+]C2)c1 ZINC000423075331 387874065 /nfs/dbraw/zinc/87/40/65/387874065.db2.gz WQJATDZDBOIHRC-SWLSCSKDSA-N 2 0 248.370 1.096 20 0 BDADRP C/C=C/C[C@H](CO)[NH2+][C@@H](C)CCCC[NH3+] ZINC000423044469 387854779 /nfs/dbraw/zinc/85/47/79/387854779.db2.gz APEVUXHYDPIBGK-HEKLCECKSA-N 2 0 214.353 1.421 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC000423043319 387854915 /nfs/dbraw/zinc/85/49/15/387854915.db2.gz OIQFHGDNZXPCNK-RDBSUJKOSA-N 2 0 240.391 1.923 20 0 BDADRP CC1=CC[N@H+](CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000423042026 387856253 /nfs/dbraw/zinc/85/62/53/387856253.db2.gz YGTVDUFVNWYYHI-YIONKMFJSA-N 2 0 249.402 1.511 20 0 BDADRP Cc1ccccc1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193611470 387857752 /nfs/dbraw/zinc/85/77/52/387857752.db2.gz DBZNNPFMHMCITQ-GASCZTMLSA-N 2 0 230.355 1.988 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000423051948 387861075 /nfs/dbraw/zinc/86/10/75/387861075.db2.gz PKBARQAKYJEDQQ-IGHBBLSQSA-N 2 0 238.375 1.674 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)CC1 ZINC000423053328 387861742 /nfs/dbraw/zinc/86/17/42/387861742.db2.gz AKUFDJZXSSVBPG-YAWVXEGQSA-N 2 0 238.375 1.661 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCCC[C@H]1O ZINC000423057573 387862079 /nfs/dbraw/zinc/86/20/79/387862079.db2.gz ZPMVCNVVMSGOSS-QJPTWQEYSA-N 2 0 214.353 1.397 20 0 BDADRP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643535303 387862434 /nfs/dbraw/zinc/86/24/34/387862434.db2.gz AVKKSDZZGWKPFP-WOPDTQHZSA-N 2 0 208.349 1.907 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC23CC[NH2+]CC3)[C@H](C)O1 ZINC000643535368 387862629 /nfs/dbraw/zinc/86/26/29/387862629.db2.gz CSDJAZHAECUFMW-RHYQMDGZSA-N 2 0 224.348 1.284 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H]1COc2ccc(F)cc21 ZINC000423054367 387862782 /nfs/dbraw/zinc/86/27/82/387862782.db2.gz UQBXIEIXGUZZOX-SKDRFNHKSA-N 2 0 238.306 1.976 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000423060696 387864918 /nfs/dbraw/zinc/86/49/18/387864918.db2.gz PASANMSELWYRJS-MBJXGIAVSA-N 2 0 238.375 1.532 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@@H]12)[C@@H]1CCC[NH2+]1 ZINC000423061657 387865000 /nfs/dbraw/zinc/86/50/00/387865000.db2.gz RDNVZIQOMOXLEX-JZRPKSSGSA-N 2 0 224.348 1.284 20 0 BDADRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)[C@H]1C[C@H]1C ZINC000643535879 387865923 /nfs/dbraw/zinc/86/59/23/387865923.db2.gz KIZZGGLWDONMKN-RHYQMDGZSA-N 2 0 208.349 1.763 20 0 BDADRP CO[C@H](C)C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000423061531 387866041 /nfs/dbraw/zinc/86/60/41/387866041.db2.gz RCACSCYVTULACC-VWYCJHECSA-N 2 0 200.326 1.271 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1cnccc1C ZINC000629529402 387874658 /nfs/dbraw/zinc/87/46/58/387874658.db2.gz BITDWHJQRCQIHO-LBPRGKRZSA-N 2 0 237.347 1.277 20 0 BDADRP CC[C@@H](C)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433131366 387869018 /nfs/dbraw/zinc/86/90/18/387869018.db2.gz KEBPBVXSEVINFX-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP CO[C@@H]1CC[C@H]([NH2+][C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000423067471 387869289 /nfs/dbraw/zinc/86/92/89/387869289.db2.gz HEPQVTBSUJDMAZ-RNJOBUHISA-N 2 0 226.364 1.804 20 0 BDADRP CC[C@@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000422964886 387813693 /nfs/dbraw/zinc/81/36/93/387813693.db2.gz MYWUHQHYJYPNBQ-IHRRRGAJSA-N 2 0 239.407 1.591 20 0 BDADRP CC[C@H](C[NH2+][C@@H](C)CCC[NH3+])N1CCCC1 ZINC000422963412 387813789 /nfs/dbraw/zinc/81/37/89/387813789.db2.gz IMUQONFCXVOKCM-QWHCGFSZSA-N 2 0 227.396 1.578 20 0 BDADRP CC[C@H](CN[C@H]1CCC[C@@H]1[NH3+])[NH+]1CCCC1 ZINC000422965261 387815032 /nfs/dbraw/zinc/81/50/32/387815032.db2.gz OFIZJJDCORFBGH-AGIUHOORSA-N 2 0 225.380 1.330 20 0 BDADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H](C)CO ZINC000422966454 387815991 /nfs/dbraw/zinc/81/59/91/387815991.db2.gz ACBVTKIODDVOTQ-SGMGOOAPSA-N 2 0 236.359 1.163 20 0 BDADRP COc1ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cn1 ZINC000422967576 387816003 /nfs/dbraw/zinc/81/60/03/387816003.db2.gz UCBOYZXNGYYAMP-NXEZZACHSA-N 2 0 223.320 1.306 20 0 BDADRP C[C@@H](C[NH2+]C1CCCC1)N1CC[NH+](C)CC1 ZINC000053486237 387816738 /nfs/dbraw/zinc/81/67/38/387816738.db2.gz ZFMYSSXJFVLRHX-LBPRGKRZSA-N 2 0 225.380 1.155 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CCc1ccccc1O ZINC000422970523 387819464 /nfs/dbraw/zinc/81/94/64/387819464.db2.gz GNJMOBWRXMWQGW-NSHDSACASA-N 2 0 222.332 1.652 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC(C)(C)O)CC[N@@H+]1C ZINC000158086880 387891268 /nfs/dbraw/zinc/89/12/68/387891268.db2.gz IFUVAVRBBOCCNA-GHMZBOCLSA-N 2 0 214.353 1.220 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCN1CC=CCC1 ZINC000423106246 387891426 /nfs/dbraw/zinc/89/14/26/387891426.db2.gz ZLHXKHAPJRRQPY-UONOGXRCSA-N 2 0 237.391 1.226 20 0 BDADRP C[C@H]1CSC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423107590 387891571 /nfs/dbraw/zinc/89/15/71/387891571.db2.gz KZOGGVKIZJWVAA-GDGRRUBZSA-N 2 0 226.389 1.611 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000423110099 387892563 /nfs/dbraw/zinc/89/25/63/387892563.db2.gz ULVNKMCNVAGXRL-GHMZBOCLSA-N 2 0 246.358 1.821 20 0 BDADRP Cc1cccc(CCC[NH2+][C@H]2CCC[C@H]2[NH3+])n1 ZINC000423112828 387895357 /nfs/dbraw/zinc/89/53/57/387895357.db2.gz YBPCIVIGPDDNGU-KGLIPLIRSA-N 2 0 233.359 1.792 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000423114245 387896929 /nfs/dbraw/zinc/89/69/29/387896929.db2.gz ZBIPJDMFHUMPPG-RVMXOQNASA-N 2 0 228.380 1.907 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CSC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423114495 387897087 /nfs/dbraw/zinc/89/70/87/387897087.db2.gz VYXGLHMQLKNAIT-CHWFTXMASA-N 2 0 214.378 1.468 20 0 BDADRP CC[C@@H]([NH2+]CCC[C@@H](C)O)[C@@H]1CCC[NH2+]1 ZINC000423080972 387876709 /nfs/dbraw/zinc/87/67/09/387876709.db2.gz CBPWLQLEPZPFHP-UTUOFQBUSA-N 2 0 214.353 1.268 20 0 BDADRP CO[C@H](CC[NH2+][C@@H](C)C[C@H](C)[NH3+])C(F)(F)F ZINC000423076597 387876765 /nfs/dbraw/zinc/87/67/65/387876765.db2.gz ZJBXFETUMAQFDP-XHNCKOQMSA-N 2 0 242.285 1.669 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@@H]1CCC[C@H]1[NH3+] ZINC000423084028 387878455 /nfs/dbraw/zinc/87/84/55/387878455.db2.gz HABBINULQZYILW-IJLUTSLNSA-N 2 0 213.369 1.186 20 0 BDADRP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](C)CCC[NH3+])C1 ZINC000423082916 387879418 /nfs/dbraw/zinc/87/94/18/387879418.db2.gz FFJXUJKBZDAAOM-GARJFASQSA-N 2 0 228.336 1.045 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCSC1)[C@H]1CCCC[NH2+]1 ZINC000423088988 387880565 /nfs/dbraw/zinc/88/05/65/387880565.db2.gz UCTBKQQUKXKCMU-GRYCIOLGSA-N 2 0 228.405 1.860 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])C1 ZINC000643540058 387882252 /nfs/dbraw/zinc/88/22/52/387882252.db2.gz CJUSEVFQGYIGKQ-CHWFTXMASA-N 2 0 200.326 1.269 20 0 BDADRP CCSCCC[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000423117263 387898645 /nfs/dbraw/zinc/89/86/45/387898645.db2.gz UOSGMPLPPYTQEE-VIFPVBQESA-N 2 0 202.367 1.327 20 0 BDADRP CCSCCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000423117903 387898793 /nfs/dbraw/zinc/89/87/93/387898793.db2.gz XTIWEDPJXXDWRD-IJLUTSLNSA-N 2 0 246.420 1.472 20 0 BDADRP C[C@@H]([NH2+]CCc1ccc2[nH]ccc2c1)C1C[NH2+]C1 ZINC000423101580 387888343 /nfs/dbraw/zinc/88/83/43/387888343.db2.gz NQIMBOORDKAVKC-LLVKDONJSA-N 2 0 243.354 1.908 20 0 BDADRP CC(C)[N@@H+](C)C[C@H](C)N[C@H](C)[C@H]1CCC[NH2+]1 ZINC000423120415 387900116 /nfs/dbraw/zinc/90/01/16/387900116.db2.gz GLBKPGAOWRIHRY-YNEHKIRRSA-N 2 0 227.396 1.445 20 0 BDADRP C[C@H]([NH2+]C[C@H]1COc2ccccc21)[C@H]1CC[NH2+]C1 ZINC000423125959 387905991 /nfs/dbraw/zinc/90/59/91/387905991.db2.gz RAXTUHUCWIZRQS-AVGNSLFASA-N 2 0 246.354 1.750 20 0 BDADRP CCCCN(C)C[C@H](C)[NH2+][C@H](C)CCC[NH3+] ZINC000423125478 387906012 /nfs/dbraw/zinc/90/60/12/387906012.db2.gz QQCSRWJZINVWKG-OLZOCXBDSA-N 2 0 229.412 1.824 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](CO)CC1CCC1 ZINC000423130151 387907385 /nfs/dbraw/zinc/90/73/85/387907385.db2.gz MOXQEZIWFNJWIA-JBLDHEPKSA-N 2 0 214.353 1.253 20 0 BDADRP CC[N@@H+]1CCC[C@@H](CNCc2cncn2C)C1 ZINC000236863645 387908176 /nfs/dbraw/zinc/90/81/76/387908176.db2.gz NGGXGFSDFQCAJL-LBPRGKRZSA-N 2 0 236.363 1.242 20 0 BDADRP CCCC[N@H+](C)C[C@@H](C)N[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423129422 387908407 /nfs/dbraw/zinc/90/84/07/387908407.db2.gz XAHBDMJPFGQXQI-HZSPNIEDSA-N 2 0 241.423 1.837 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)N[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423133165 387908718 /nfs/dbraw/zinc/90/87/18/387908718.db2.gz CHAZPGBTAQKELW-MJBXVCDLSA-N 2 0 241.423 1.837 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCCCF ZINC000423132119 387909597 /nfs/dbraw/zinc/90/95/97/387909597.db2.gz BORCZYCRWRYQGM-GHMZBOCLSA-N 2 0 202.317 1.714 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000423135205 387912436 /nfs/dbraw/zinc/91/24/36/387912436.db2.gz FNNZXLABHVHHKD-HZSPNIEDSA-N 2 0 241.423 1.694 20 0 BDADRP CC[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)OC ZINC000423133827 387912566 /nfs/dbraw/zinc/91/25/66/387912566.db2.gz DDAXNKAQAWMBJM-UTUOFQBUSA-N 2 0 214.353 1.389 20 0 BDADRP COCC1(CC[NH2+][C@H](C)CCC[NH3+])CCC1 ZINC000423138488 387916732 /nfs/dbraw/zinc/91/67/32/387916732.db2.gz SYPCEAHHTRUENA-GFCCVEGCSA-N 2 0 228.380 1.910 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCCC[C@H]1O)[C@@H]1CCC[NH2+]1 ZINC000423151013 387930618 /nfs/dbraw/zinc/93/06/18/387930618.db2.gz CJPFSDRMOHPKLP-MROQNXINSA-N 2 0 226.364 1.268 20 0 BDADRP CO[C@H](C[NH2+][C@@H](C)C1C[NH2+]C1)Cc1ccccc1 ZINC000423153708 387932335 /nfs/dbraw/zinc/93/23/35/387932335.db2.gz GTKBBTDKDIYULW-WFASDCNBSA-N 2 0 248.370 1.442 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000423154842 387934336 /nfs/dbraw/zinc/93/43/36/387934336.db2.gz KDEIHARKUHFWGZ-QCNOEVLYSA-N 2 0 214.353 1.253 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000423155993 387935567 /nfs/dbraw/zinc/93/55/67/387935567.db2.gz KJTCLAPGLDPNNC-UPJWGTAASA-N 2 0 228.380 1.373 20 0 BDADRP C[C@@H]([NH2+]C[C@H](CO)C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000423142771 387921086 /nfs/dbraw/zinc/92/10/86/387921086.db2.gz VWJLEPXZGXRVHP-RTXFEEFZSA-N 2 0 226.364 1.125 20 0 BDADRP CC[C@H]([NH2+]C[C@H](CO)C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000423143581 387921291 /nfs/dbraw/zinc/92/12/91/387921291.db2.gz XKQHVDNSNPEDLE-RDBSUJKOSA-N 2 0 240.391 1.515 20 0 BDADRP CO[C@@H](C)[C@@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423142724 387921607 /nfs/dbraw/zinc/92/16/07/387921607.db2.gz VPNYAGBXHQBDRA-QKEWWQLBSA-N 2 0 214.353 1.517 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@@H]1F ZINC000423149172 387927211 /nfs/dbraw/zinc/92/72/11/387927211.db2.gz XHOQXBIRCFNMEK-OUAUKWLOSA-N 2 0 218.316 1.221 20 0 BDADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[NH3+])C1(O)CCCC1 ZINC000423157867 387937156 /nfs/dbraw/zinc/93/71/56/387937156.db2.gz BTICYTLJJLWTHB-NWDGAFQWSA-N 2 0 240.391 1.787 20 0 BDADRP C[C@@H](CCO)CC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423148595 387927496 /nfs/dbraw/zinc/92/74/96/387927496.db2.gz WBZVPNXYIDESPT-AGIUHOORSA-N 2 0 228.380 1.515 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000423167342 387951847 /nfs/dbraw/zinc/95/18/47/387951847.db2.gz SDWYMJABGNGWHA-YVECIDJPSA-N 2 0 226.364 1.804 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCOc1ccccc1 ZINC000424289154 387951882 /nfs/dbraw/zinc/95/18/82/387951882.db2.gz BKYMWHVCEYOCDY-ZIAGYGMSSA-N 2 0 234.343 1.925 20 0 BDADRP C[C@H]([C@@H]1CC[NH2+]C1)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000423167113 387952686 /nfs/dbraw/zinc/95/26/86/387952686.db2.gz WMKSVEHKIYIEAZ-MCIONIFRSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000423167470 387952851 /nfs/dbraw/zinc/95/28/51/387952851.db2.gz WSKKRJKITNHRSL-XQQFMLRXSA-N 2 0 226.364 1.615 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH2+]C2CCOCC2)C1 ZINC000044533441 387937945 /nfs/dbraw/zinc/93/79/45/387937945.db2.gz SYVKJBXYMPBTCB-NSHDSACASA-N 2 0 212.337 1.097 20 0 BDADRP Cc1cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])ccn1 ZINC000423159350 387939689 /nfs/dbraw/zinc/93/96/89/387939689.db2.gz OXBRPSFDTWONTL-UWVGGRQHSA-N 2 0 207.321 1.605 20 0 BDADRP C[C@H]1CCNC[C@@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000423160455 387941029 /nfs/dbraw/zinc/94/10/29/387941029.db2.gz HITONEYTTRXRIY-JSGCOSHPSA-N 2 0 239.407 1.448 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@@H](CC)[C@@H]2CCC[NH2+]2)C1 ZINC000423160766 387941658 /nfs/dbraw/zinc/94/16/58/387941658.db2.gz HUNKZJWXJQBVPJ-RNJOBUHISA-N 2 0 226.364 1.674 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)[C@@H](C)[NH2+]C2CC2)c1 ZINC000424237393 387942059 /nfs/dbraw/zinc/94/20/59/387942059.db2.gz KDQBSPKHCNNESY-SNVBAGLBSA-N 2 0 247.342 1.533 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2=CC[N@H+](C)CC2)[C@H](C)O1 ZINC000392234620 387942912 /nfs/dbraw/zinc/94/29/12/387942912.db2.gz DDEUKDUHCDJRCV-MDZLAQPJSA-N 2 0 224.348 1.404 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NCC[N@@H+]1CCCC1(C)C ZINC000423162654 387943125 /nfs/dbraw/zinc/94/31/25/387943125.db2.gz LKITXLDMQYUPOZ-RYUDHWBXSA-N 2 0 227.396 1.576 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC(C)(C)C(C)(C)O ZINC000423162301 387944099 /nfs/dbraw/zinc/94/40/99/387944099.db2.gz PAFCCNYHAZZDGV-NXEZZACHSA-N 2 0 216.369 1.499 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCCC[C@H]1O)[C@H]1CCCC[NH2+]1 ZINC000423162806 387944240 /nfs/dbraw/zinc/94/42/40/387944240.db2.gz QFXLAEPQVDCHGK-XJFOESAGSA-N 2 0 240.391 1.658 20 0 BDADRP C[C@@H](CC(C)(C)O)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423163483 387944899 /nfs/dbraw/zinc/94/48/99/387944899.db2.gz VOLOUUZAISCANE-GARJFASQSA-N 2 0 214.353 1.266 20 0 BDADRP C[NH+](C)C[C@H]1CC[N@H+](CCC[C@H]2CCOC2)C1 ZINC000645802429 387945471 /nfs/dbraw/zinc/94/54/71/387945471.db2.gz MVTPCVHTVDMUBU-UONOGXRCSA-N 2 0 240.391 1.687 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCOCC1CCCC1 ZINC000423163025 387945751 /nfs/dbraw/zinc/94/57/51/387945751.db2.gz MEBCXHXGCCKHET-STQMWFEESA-N 2 0 226.364 1.663 20 0 BDADRP COCC[C@@H](C)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423165600 387947518 /nfs/dbraw/zinc/94/75/18/387947518.db2.gz BGUSJERKBAFARG-IJLUTSLNSA-N 2 0 214.353 1.389 20 0 BDADRP CC1(C)COC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423165801 387947870 /nfs/dbraw/zinc/94/78/70/387947870.db2.gz UXSKDKOUNXTFAE-MBYGNEARSA-N 2 0 224.348 1.284 20 0 BDADRP CC[C@@H](O)[C@@H](CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423165742 387947998 /nfs/dbraw/zinc/94/79/98/387947998.db2.gz UUQLUMKFWSHTRC-NRUFJFEESA-N 2 0 226.364 1.409 20 0 BDADRP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000423165444 387948757 /nfs/dbraw/zinc/94/87/57/387948757.db2.gz XXTJBVLGEKRCCY-IJLUTSLNSA-N 2 0 228.380 1.514 20 0 BDADRP CC[N@H+](C)CCN[C@H]1CC[NH+](CC)C[C@H]1C ZINC000158772981 387961232 /nfs/dbraw/zinc/96/12/32/387961232.db2.gz OJCBEEGCSPXYIX-OLZOCXBDSA-N 2 0 227.396 1.258 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H]1C)[C@H]1CCCC[NH2+]1 ZINC000423176490 387961821 /nfs/dbraw/zinc/96/18/21/387961821.db2.gz GCQWOMJNJXVTCQ-DHGKCCLASA-N 2 0 240.391 1.920 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1NCC1([NH3+])CCCCC1 ZINC000423176577 387962767 /nfs/dbraw/zinc/96/27/67/387962767.db2.gz HACKYRJCXKXSHJ-RYUDHWBXSA-N 2 0 225.380 1.365 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCC[NH2+]C1 ZINC000423178653 387963832 /nfs/dbraw/zinc/96/38/32/387963832.db2.gz CIPPMMLKEVAPBU-NDBYEHHHSA-N 2 0 225.380 1.057 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1NCC1([NH3+])CCCCC1 ZINC000423179320 387965191 /nfs/dbraw/zinc/96/51/91/387965191.db2.gz LXYPMZSGUWUOJF-STQMWFEESA-N 2 0 239.407 1.755 20 0 BDADRP CC[N@@H+]1C[C@H](C)[C@H](NCC2([NH3+])CCCCC2)C1 ZINC000423179880 387966885 /nfs/dbraw/zinc/96/68/85/387966885.db2.gz MRUGVSCJBKOMFX-QWHCGFSZSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccncc1 ZINC000423183391 387968375 /nfs/dbraw/zinc/96/83/75/387968375.db2.gz ROTNNHXAYPDXKV-ZDUSSCGKSA-N 2 0 248.374 1.028 20 0 BDADRP C[C@H]([NH2+]CCC[NH3+])c1ccc(-n2cncn2)cc1 ZINC000423186140 387971681 /nfs/dbraw/zinc/97/16/81/387971681.db2.gz WMHCJTKMAUVVIE-NSHDSACASA-N 2 0 245.330 1.267 20 0 BDADRP COc1cccc2c1C[C@H]([NH2+][C@@H]1CCC[C@@H]1[NH3+])C2 ZINC000423170910 387957636 /nfs/dbraw/zinc/95/76/36/387957636.db2.gz NDEKUZZXBKJJLT-KWCYVHTRSA-N 2 0 246.354 1.632 20 0 BDADRP COCC[C@@H](C)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423171404 387957822 /nfs/dbraw/zinc/95/78/22/387957822.db2.gz OITYWNWIDJJVBT-AGIUHOORSA-N 2 0 228.380 1.779 20 0 BDADRP C[C@H](Cc1cnccn1)[NH2+]CCC[NH+]1CCCC1 ZINC000453072585 387979097 /nfs/dbraw/zinc/97/90/97/387979097.db2.gz DOHCTPQEVVNMKR-CYBMUJFWSA-N 2 0 248.374 1.483 20 0 BDADRP CC(C)[C@H]([NH2+]CCC[NH3+])c1cccnc1 ZINC000423195463 387980194 /nfs/dbraw/zinc/98/01/94/387980194.db2.gz SPDVGLGCVJXYQR-LBPRGKRZSA-N 2 0 207.321 1.717 20 0 BDADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)[C@H]1CC1(C)C ZINC000423188764 387974245 /nfs/dbraw/zinc/97/42/45/387974245.db2.gz QHCSZUKKFJHGGQ-QWHCGFSZSA-N 2 0 239.407 1.306 20 0 BDADRP C[N@@H+]1CC[C@H](NC2CC[NH2+]CC2)[C@H]2CCC[C@@H]21 ZINC000423191490 387975303 /nfs/dbraw/zinc/97/53/03/387975303.db2.gz UFVYZTFIAOBQKD-RDBSUJKOSA-N 2 0 237.391 1.201 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000423201233 387987809 /nfs/dbraw/zinc/98/78/09/387987809.db2.gz ODLXTOIJGBDTLD-CYBMUJFWSA-N 2 0 234.343 1.969 20 0 BDADRP C(CN1CC[NH2+]CC1)[NH2+][C@@H]1CCC12CCCC2 ZINC000423203459 387989805 /nfs/dbraw/zinc/98/98/05/387989805.db2.gz MSSIPHWPPMZOHG-CYBMUJFWSA-N 2 0 237.391 1.204 20 0 BDADRP CCC[C@@H](C)[C@H](CC)[NH2+]CCN1CC[NH2+]CC1 ZINC000423204810 387992207 /nfs/dbraw/zinc/99/22/07/387992207.db2.gz OPYQFESKSUCNFL-KGLIPLIRSA-N 2 0 241.423 1.696 20 0 BDADRP C[C@@H](C[C@H]1CCC[NH2+]1)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424369572 387994778 /nfs/dbraw/zinc/99/47/78/387994778.db2.gz RHNANCJPJZGICT-UMSGYPCISA-N 2 0 225.380 1.377 20 0 BDADRP Cc1ncc([C@@H](C)NC[C@@H]2CCC[NH2+]C2)c(C)n1 ZINC000423213256 387995392 /nfs/dbraw/zinc/99/53/92/387995392.db2.gz NEDRTFWPBCOYMZ-ZWNOBZJWSA-N 2 0 248.374 1.744 20 0 BDADRP C[C@@H]([NH3+])CCc1nc(C2([NH3+])CCCCC2)no1 ZINC000424344505 387983561 /nfs/dbraw/zinc/98/35/61/387983561.db2.gz LFRUTTHBDIQEAN-SECBINFHSA-N 2 0 238.335 1.468 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H](C)[C@@H](OC)c1ccccc1 ZINC000423197842 387984527 /nfs/dbraw/zinc/98/45/27/387984527.db2.gz BLXBPUNAOHKQGM-GXTWGEPZSA-N 2 0 236.359 1.962 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000423199341 387985366 /nfs/dbraw/zinc/98/53/66/387985366.db2.gz JTXZHFVLBPLSJY-MGPQQGTHSA-N 2 0 240.391 1.781 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000423198950 387986109 /nfs/dbraw/zinc/98/61/09/387986109.db2.gz ITFWDZQJPNRVAI-CYBMUJFWSA-N 2 0 234.343 1.579 20 0 BDADRP C1C[C@@H]([NH2+][C@H]2CCC[C@@H]([C@H]3CCOC3)C2)C[NH2+]1 ZINC000423214186 387997510 /nfs/dbraw/zinc/99/75/10/387997510.db2.gz MGHJNHAPLLYXMD-ZOBORPQBSA-N 2 0 238.375 1.533 20 0 BDADRP CC(C)[C@H](Cn1cccn1)[NH2+]CC[C@H](C)[NH3+] ZINC000423227661 388011037 /nfs/dbraw/zinc/01/10/37/388011037.db2.gz WNNHNTAUDIRZLO-RYUDHWBXSA-N 2 0 224.352 1.235 20 0 BDADRP C[C@@H]([NH2+]CC[C@H](C)[NH3+])C1CCSCC1 ZINC000423222745 388003740 /nfs/dbraw/zinc/00/37/40/388003740.db2.gz CHYMSGVPUHPIPA-VHSXEESVSA-N 2 0 216.394 1.845 20 0 BDADRP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000246061470 388005601 /nfs/dbraw/zinc/00/56/01/388005601.db2.gz ZEQLVQKLKQDWLQ-ZDEQEGDKSA-N 2 0 238.375 1.362 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCOC1 ZINC000424372279 387996389 /nfs/dbraw/zinc/99/63/89/387996389.db2.gz WHYXEEIWDDQMRM-IJLUTSLNSA-N 2 0 212.337 1.273 20 0 BDADRP COCC[C@@H]1CCC[C@H]1[NH2+]CC[C@H](C)[NH3+] ZINC000423228186 388013402 /nfs/dbraw/zinc/01/34/02/388013402.db2.gz YPTCAPBOIHTISO-SDDRHHMPSA-N 2 0 214.353 1.519 20 0 BDADRP C([NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)[C@H]1CCC[NH2+]1 ZINC000423235236 388019536 /nfs/dbraw/zinc/01/95/36/388019536.db2.gz NADDWAFESZCCTR-FVCCEPFGSA-N 2 0 236.359 1.286 20 0 BDADRP C[NH2+]CCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423238099 388022893 /nfs/dbraw/zinc/02/28/93/388022893.db2.gz FBNVKVHWMDJZJO-FRRDWIJNSA-N 2 0 225.380 1.106 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](N)c1ccccc1 ZINC000423254163 388035723 /nfs/dbraw/zinc/03/57/23/388035723.db2.gz XIUMDQIRFFUDMU-JSGCOSHPSA-N 2 0 235.375 1.794 20 0 BDADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423254652 388037445 /nfs/dbraw/zinc/03/74/45/388037445.db2.gz ZAFWRWBCXRQASJ-IHRRRGAJSA-N 2 0 240.391 1.781 20 0 BDADRP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C ZINC000423263832 388042601 /nfs/dbraw/zinc/04/26/01/388042601.db2.gz PCTVZQUWWZOUCB-NWDGAFQWSA-N 2 0 243.395 1.206 20 0 BDADRP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)Cc1ccoc1 ZINC000423264218 388042841 /nfs/dbraw/zinc/04/28/41/388042841.db2.gz BTJYTUBRIIUMAR-PWSUYJOCSA-N 2 0 210.321 1.784 20 0 BDADRP Cn1cncc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446887449 388043083 /nfs/dbraw/zinc/04/30/83/388043083.db2.gz TWGNJOVHARZLBX-UHFFFAOYSA-N 2 0 248.374 1.384 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)N[C@@H](C[NH3+])C1CCCCC1 ZINC000423265304 388044008 /nfs/dbraw/zinc/04/40/08/388044008.db2.gz QTXPYYBBRJCOCC-GVXVVHGQSA-N 2 0 227.396 1.609 20 0 BDADRP CC[NH2+]CCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423242803 388026632 /nfs/dbraw/zinc/02/66/32/388026632.db2.gz VWBDNMGWTUWFRH-MGPQQGTHSA-N 2 0 239.407 1.496 20 0 BDADRP C[C@H](N[C@H]1CCCC[C@H]1C[NH3+])[C@H]1CCC[NH2+]1 ZINC000423274087 388053691 /nfs/dbraw/zinc/05/36/91/388053691.db2.gz JUGYDUFAUOPDCR-RVMXOQNASA-N 2 0 225.380 1.234 20 0 BDADRP COC[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)C(C)C ZINC000423274185 388054728 /nfs/dbraw/zinc/05/47/28/388054728.db2.gz LNURKHDFWUUESR-GHMZBOCLSA-N 2 0 202.342 1.230 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)[C@@H]1CCCC[NH2+]1 ZINC000423275219 388056313 /nfs/dbraw/zinc/05/63/13/388056313.db2.gz MXMAMTUOJHTFFA-MJBXVCDLSA-N 3 0 239.407 1.496 20 0 BDADRP CC(C)[C@@H]([NH3+])CN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423282261 388063969 /nfs/dbraw/zinc/06/39/69/388063969.db2.gz VRNQCYXQEQWGOZ-GRYCIOLGSA-N 2 0 213.369 1.090 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1cnccc1N ZINC000423283970 388067605 /nfs/dbraw/zinc/06/76/05/388067605.db2.gz XVBQHBPIWLMFBR-VXGBXAGGSA-N 2 0 248.374 1.534 20 0 BDADRP CC[C@H]([NH2+]C[C@H]([NH3+])C(C)C)[C@H]1CCOC1 ZINC000423284789 388068915 /nfs/dbraw/zinc/06/89/15/388068915.db2.gz YLFOZKPPSDNNPE-SRVKXCTJSA-N 2 0 214.353 1.374 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCC[C@H]1CCF ZINC000423285311 388069180 /nfs/dbraw/zinc/06/91/80/388069180.db2.gz ZINLJTWXOLGYCA-SDDRHHMPSA-N 2 0 216.344 1.960 20 0 BDADRP CCC([NH3+])(CC)CN[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000423287489 388070423 /nfs/dbraw/zinc/07/04/23/388070423.db2.gz MPSZHEIWGAYNHG-DGCLKSJQSA-N 2 0 239.407 1.576 20 0 BDADRP CC(C)([NH3+])C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000423287351 388071205 /nfs/dbraw/zinc/07/12/05/388071205.db2.gz LROFVWNMKASFCE-HBNTYKKESA-N 2 0 226.364 1.517 20 0 BDADRP CCC([NH3+])(CC)C[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000423288719 388072846 /nfs/dbraw/zinc/07/28/46/388072846.db2.gz UQTJQGSUMJYFGG-GHMZBOCLSA-N 2 0 214.353 1.661 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CN(C)C[C@H]2C)O1 ZINC000453403017 388073379 /nfs/dbraw/zinc/07/33/79/388073379.db2.gz GQFSMWWCZKIFJD-DDHJBXDOSA-N 2 0 212.337 1.094 20 0 BDADRP C[N@@H+]1CC[C@H](NCC(C)(C)[NH3+])[C@H]2CCC[C@@H]21 ZINC000423288327 388073501 /nfs/dbraw/zinc/07/35/01/388073501.db2.gz RSACQJYUWHLNON-WOPDTQHZSA-N 2 0 225.380 1.186 20 0 BDADRP CCC([NH3+])(CC)CN[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000423289947 388074347 /nfs/dbraw/zinc/07/43/47/388074347.db2.gz YOVSDXGOZKBTIF-NWDGAFQWSA-N 2 0 227.396 1.434 20 0 BDADRP CCC([NH3+])(CC)CN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423290567 388074784 /nfs/dbraw/zinc/07/47/84/388074784.db2.gz DNUMWODLARAGHB-RYUDHWBXSA-N 2 0 227.396 1.624 20 0 BDADRP CCCC[C@@H](C[NH3+])N[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423297759 388079667 /nfs/dbraw/zinc/07/96/67/388079667.db2.gz LTQRGNRWVHPCQS-SDDRHHMPSA-N 2 0 213.369 1.234 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000447584669 388080516 /nfs/dbraw/zinc/08/05/16/388080516.db2.gz GPPPMNJJMCTWBZ-JWURUJNWSA-N 2 0 237.391 1.151 20 0 BDADRP C[C@H](CCO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000085126360 388084562 /nfs/dbraw/zinc/08/45/62/388084562.db2.gz ZLGZLXJEYZNPHV-ODWCKFRGSA-N 2 0 226.364 1.220 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@H](O)C1CCC1 ZINC000643493533 388109575 /nfs/dbraw/zinc/10/95/75/388109575.db2.gz VFAPUHXEJKPVCE-UPJWGTAASA-N 2 0 226.364 1.397 20 0 BDADRP C([NH2+][C@@H]1CCCOCC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000086873346 388109610 /nfs/dbraw/zinc/10/96/10/388109610.db2.gz DUPIZUHAGIVNAG-CHWSQXEVSA-N 2 0 238.375 1.629 20 0 BDADRP CC[C@H](NC[C@H]([NH3+])C(C)C)[C@@H]1CCC[NH2+]1 ZINC000423268102 388047865 /nfs/dbraw/zinc/04/78/65/388047865.db2.gz FZBJFIUGTFWQED-SRVKXCTJSA-N 2 0 213.369 1.090 20 0 BDADRP CC(C)C[C@H](C[NH3+])N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000423269606 388050152 /nfs/dbraw/zinc/05/01/52/388050152.db2.gz VXIJHSVNEMPMBT-JHJVBQTASA-N 2 0 227.396 1.432 20 0 BDADRP CC(C)CCC[NH2+]C[C@H]1CCCN1CCCO ZINC000449386929 388190561 /nfs/dbraw/zinc/19/05/61/388190561.db2.gz JXFRFHQXLPQYJK-CQSZACIVSA-N 2 0 242.407 1.859 20 0 BDADRP C[C@@H]1[C@H](CO)CC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000488742031 388192662 /nfs/dbraw/zinc/19/26/62/388192662.db2.gz DIDIAPWMNBDSDF-FRRDWIJNSA-N 2 0 226.364 1.173 20 0 BDADRP CC[C@H](C(=O)N[C@H](C)CCC[NH3+])[NH+](CC)CC ZINC000449572518 388235840 /nfs/dbraw/zinc/23/58/40/388235840.db2.gz NGXYGVADBFAUEK-VXGBXAGGSA-N 2 0 243.395 1.350 20 0 BDADRP CC(C)[C@H]1C[C@@H]([NH2+]C2CC([NH+](C)C)C2)CCO1 ZINC000521369959 256519380 /nfs/dbraw/zinc/51/93/80/256519380.db2.gz JEVKKWYLERXGEI-GFJIZPEISA-N 2 0 240.391 1.872 20 0 BDADRP CO[C@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000234879534 388362168 /nfs/dbraw/zinc/36/21/68/388362168.db2.gz WMSUZVHOTOKHIO-TUAOUCFPSA-N 2 0 212.337 1.095 20 0 BDADRP COC[C@H](C)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000163541581 388364686 /nfs/dbraw/zinc/36/46/86/388364686.db2.gz XBBCLTDJDKWVKL-VXGBXAGGSA-N 2 0 214.353 1.330 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](O)C1CCC1 ZINC000316055812 388405494 /nfs/dbraw/zinc/40/54/94/388405494.db2.gz XUQXSFVZNQZEDY-MHDGFBEUSA-N 2 0 240.391 1.466 20 0 BDADRP CC(C)(CO)CCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000393374025 388380165 /nfs/dbraw/zinc/38/01/65/388380165.db2.gz IZVMSUUCAJLOKS-CHWSQXEVSA-N 2 0 242.407 1.892 20 0 BDADRP CCCC[N@H+](C)C[C@@H](C)N[C@H]1C[NH+](C)C[C@H]1C ZINC000516605643 388385885 /nfs/dbraw/zinc/38/58/85/388385885.db2.gz OCQQGRMSXLJXLU-MCIONIFRSA-N 2 0 241.423 1.647 20 0 BDADRP CCCCCNC(=O)CN1CC[C@H]([NH3+])C[C@H]1C ZINC000573016070 388406370 /nfs/dbraw/zinc/40/63/70/388406370.db2.gz GZRLRKWFRNWNIZ-NEPJUHHUSA-N 2 0 241.379 1.104 20 0 BDADRP C[N@@H+]1CCC[C@H]2CN(Cc3cc[nH]n3)CC[C@H]21 ZINC000246194219 388440058 /nfs/dbraw/zinc/44/00/58/388440058.db2.gz LKCPXTLWLOUTBJ-WCQYABFASA-N 2 0 234.347 1.326 20 0 BDADRP C[C@@H]1C[C@@H](N(C)CC2(F)CC2)CC[N@@H+]1C ZINC000525978355 388441906 /nfs/dbraw/zinc/44/19/06/388441906.db2.gz PRLQZNWFEQGXPQ-MNOVXSKESA-N 2 0 214.328 1.903 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)CCC[NH3+])C(C)(C)O ZINC000394018295 388449382 /nfs/dbraw/zinc/44/93/82/388449382.db2.gz VHAKFEAZXMRLQZ-UWVGGRQHSA-N 2 0 202.342 1.253 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000394061920 388450176 /nfs/dbraw/zinc/45/01/76/388450176.db2.gz AJIRLVSQAIOGMS-RWMBFGLXSA-N 2 0 228.380 1.371 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000394061916 388450251 /nfs/dbraw/zinc/45/02/51/388450251.db2.gz AJIRLVSQAIOGMS-AVGNSLFASA-N 2 0 228.380 1.371 20 0 BDADRP Cc1ccc(C[NH2+][C@@H](C)CCCC[NH3+])cn1 ZINC000336666671 388461141 /nfs/dbraw/zinc/46/11/41/388461141.db2.gz PXXNLDDRDJNUBM-NSHDSACASA-N 2 0 221.348 1.997 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CCCCO1 ZINC000336687921 388462160 /nfs/dbraw/zinc/46/21/60/388462160.db2.gz NBGZBEPWCLTOPP-QWRGUYRKSA-N 2 0 200.326 1.273 20 0 BDADRP C[C@@H]1C[C@@H](C)[N@H+](CCn2cccn2)C[C@H]1C[NH3+] ZINC000397352823 388462979 /nfs/dbraw/zinc/46/29/79/388462979.db2.gz DCRHRIXNHKQUBQ-JHJVBQTASA-N 2 0 236.363 1.188 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@H]1C ZINC000336692152 388463345 /nfs/dbraw/zinc/46/33/45/388463345.db2.gz PXXMDSZYFQJHAO-OUAUKWLOSA-N 2 0 200.326 1.128 20 0 BDADRP CN(C[C@H](O)C[N@H+](C)C1CCCCC1)C1CC1 ZINC000336713245 388466262 /nfs/dbraw/zinc/46/62/62/388466262.db2.gz OJJRJQAVIJKLJA-CQSZACIVSA-N 2 0 240.391 1.706 20 0 BDADRP Cc1cc(CN2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)no1 ZINC000397434725 388469357 /nfs/dbraw/zinc/46/93/57/388469357.db2.gz BONJWLJRQUYFHD-UMNHJUIQSA-N 2 0 237.347 1.788 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCN2CCCC[C@H]12 ZINC000336722187 388469362 /nfs/dbraw/zinc/46/93/62/388469362.db2.gz STUSRHCUKPBNMU-HZSPNIEDSA-N 3 0 239.407 1.720 20 0 BDADRP CC[NH2+]CCC[NH2+][C@H]1CCC12CCOCC2 ZINC000573108285 388420882 /nfs/dbraw/zinc/42/08/82/388420882.db2.gz FXMVRHVZUZYPIS-LBPRGKRZSA-N 2 0 226.364 1.535 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC(C)(C)C(C)(C)O ZINC000393578947 388434060 /nfs/dbraw/zinc/43/40/60/388434060.db2.gz DJADZCGQBBLDGM-NWDGAFQWSA-N 2 0 242.407 1.713 20 0 BDADRP CCC[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)OC ZINC000356337517 388548000 /nfs/dbraw/zinc/54/80/00/388548000.db2.gz QBDDSUPYKHZUFE-FRRDWIJNSA-N 2 0 228.380 1.874 20 0 BDADRP C[C@H](F)CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000340467022 388490956 /nfs/dbraw/zinc/49/09/56/388490956.db2.gz NWNVTRXLRWMESY-QJPTWQEYSA-N 2 0 214.328 1.951 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)C1CC1 ZINC000340489111 388491032 /nfs/dbraw/zinc/49/10/32/388491032.db2.gz QSWZKFMVCFSLNF-ZMJPVWNMSA-N 2 0 240.391 1.730 20 0 BDADRP CCC[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])OC ZINC000356335488 388548844 /nfs/dbraw/zinc/54/88/44/388548844.db2.gz NGVXLPHPZQUMFS-IJLUTSLNSA-N 2 0 214.353 1.519 20 0 BDADRP CCSCCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400666597 256795407 /nfs/dbraw/zinc/79/54/07/256795407.db2.gz SVYQWKSQOIVONK-WDEREUQCSA-N 2 0 216.394 1.860 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2C[NH3+])CS1 ZINC000397773855 388498205 /nfs/dbraw/zinc/49/82/05/388498205.db2.gz AGLUDGGQXYNYPL-WYUUTHIRSA-N 2 0 228.405 1.988 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CSC[C@@H]1C ZINC000397805622 388501326 /nfs/dbraw/zinc/50/13/26/388501326.db2.gz NAJVBDMVTFMLSV-DCAQKATOSA-N 2 0 232.393 1.081 20 0 BDADRP CCc1cc(NCC2([NH+](C)C)CC2)cc[nH+]1 ZINC000397885402 388509182 /nfs/dbraw/zinc/50/91/82/388509182.db2.gz MMWWZUCATGXDMI-UHFFFAOYSA-N 2 0 219.332 1.572 20 0 BDADRP C[NH+](C)C1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000397903891 388510637 /nfs/dbraw/zinc/51/06/37/388510637.db2.gz WEKMFCLXONTNLH-OLZOCXBDSA-N 2 0 237.391 1.297 20 0 BDADRP C[C@H]([NH2+]CC1(O)CCC1)C(C)(C)C[NH+](C)C ZINC000516645724 388512571 /nfs/dbraw/zinc/51/25/71/388512571.db2.gz NUNLEJUACZPYBV-NSHDSACASA-N 2 0 228.380 1.467 20 0 BDADRP CCC[C@H](C[NH2+]CC1CC[NH+](C)CC1)OC ZINC000378820372 388515811 /nfs/dbraw/zinc/51/58/11/388515811.db2.gz DXHSIXXQMQPHBR-CYBMUJFWSA-N 2 0 228.380 1.733 20 0 BDADRP CSC[C@H](O)C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000516921787 388524386 /nfs/dbraw/zinc/52/43/86/388524386.db2.gz MMERRXQJUOJTIP-NWDGAFQWSA-N 2 0 246.420 1.032 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000352558861 388536565 /nfs/dbraw/zinc/53/65/65/388536565.db2.gz ZWVAIWNRMSQHGB-MCIONIFRSA-N 2 0 240.391 1.754 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]C[C@H](O)Cc2ccccc2)C1 ZINC000521271339 256838904 /nfs/dbraw/zinc/83/89/04/256838904.db2.gz GQYMPYXRLDRSHO-SOUVJXGZSA-N 2 0 248.370 1.450 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H](OC)c2ccccc2)C1 ZINC000379217962 388599654 /nfs/dbraw/zinc/59/96/54/388599654.db2.gz OZFREJGGQSBXTC-DZGCQCFKSA-N 2 0 248.370 1.915 20 0 BDADRP Cc1nocc1CNC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000550114361 388599742 /nfs/dbraw/zinc/59/97/42/388599742.db2.gz CQCSIPOPILXJHW-LBPRGKRZSA-N 2 0 237.347 1.803 20 0 BDADRP CC[C@@H](C)C[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000185866565 256859097 /nfs/dbraw/zinc/85/90/97/256859097.db2.gz OINWVSQZASCBRK-KGLIPLIRSA-N 2 0 241.423 1.648 20 0 BDADRP CC(C)COCCC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000359636341 388556723 /nfs/dbraw/zinc/55/67/23/388556723.db2.gz PWUVZFLIQLMXJC-ZIAGYGMSSA-N 2 0 242.407 1.979 20 0 BDADRP CC(C)COCCC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000359636340 388557108 /nfs/dbraw/zinc/55/71/08/388557108.db2.gz PWUVZFLIQLMXJC-UONOGXRCSA-N 2 0 242.407 1.979 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H](OC)C(C)C ZINC000362974775 388561477 /nfs/dbraw/zinc/56/14/77/388561477.db2.gz BVHWOMWBFCEFLP-RYUDHWBXSA-N 2 0 232.368 1.001 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)COC)C1 ZINC000245452859 388581489 /nfs/dbraw/zinc/58/14/89/388581489.db2.gz QSLVCISOSCMGOI-VXGBXAGGSA-N 2 0 214.353 1.295 20 0 BDADRP CC[NH+](CC)CCN[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000247975820 388671935 /nfs/dbraw/zinc/67/19/35/388671935.db2.gz KUMZSUXRKHXCQF-UONOGXRCSA-N 2 0 241.423 1.648 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC000521624403 388620146 /nfs/dbraw/zinc/62/01/46/388620146.db2.gz BDJHWMDDBHDITI-GMTAPVOTSA-N 2 0 202.317 1.984 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cnc(N(C)C)s1 ZINC000521626692 388620490 /nfs/dbraw/zinc/62/04/90/388620490.db2.gz WBTODXFCPJCBOJ-IUCAKERBSA-N 2 0 242.392 1.425 20 0 BDADRP Cc1ncc(CN[C@H]2CC[NH2+]C23CCC3)s1 ZINC000530178413 388621501 /nfs/dbraw/zinc/62/15/01/388621501.db2.gz LAKRBEFDBGMGHB-NSHDSACASA-N 2 0 237.372 1.826 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)[C@@H]1C ZINC000530216042 388629401 /nfs/dbraw/zinc/62/94/01/388629401.db2.gz MCUPNQKACGFBTD-WYUUTHIRSA-N 2 0 208.349 1.905 20 0 BDADRP C[C@H](N[C@@H]1CC[NH2+]C12CCC2)[C@H]1CCCC[NH2+]1 ZINC000530215803 388629478 /nfs/dbraw/zinc/62/94/78/388629478.db2.gz JDJGARITWZBXJK-YNEHKIRRSA-N 2 0 237.391 1.391 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000530217262 388630094 /nfs/dbraw/zinc/63/00/94/388630094.db2.gz SKNQDARMDPSFMA-AVGNSLFASA-N 2 0 237.391 1.378 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CC23CC(C2)CO3)c2ccccc21 ZINC000530220226 388632020 /nfs/dbraw/zinc/63/20/20/388632020.db2.gz MLYBDGMGTVQADG-MULWJCLTSA-N 2 0 244.338 1.900 20 0 BDADRP COc1ccc(CC[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)cn1 ZINC000530221871 388632606 /nfs/dbraw/zinc/63/26/06/388632606.db2.gz PIFLHQBXFJIOSO-AAEUAGOBSA-N 2 0 249.358 1.220 20 0 BDADRP COC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000125993139 388684986 /nfs/dbraw/zinc/68/49/86/388684986.db2.gz AJCQAEFGJDTUQY-QWHCGFSZSA-N 2 0 228.380 1.731 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCOC1 ZINC000251462820 388644631 /nfs/dbraw/zinc/64/46/31/388644631.db2.gz UYEUDUSAUCFYEM-SRVKXCTJSA-N 2 0 212.337 1.273 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@H]2CCOC2)C1 ZINC000246831566 388652995 /nfs/dbraw/zinc/65/29/95/388652995.db2.gz BREAZFHGKSCXPY-UPJWGTAASA-N 2 0 226.364 1.343 20 0 BDADRP CC[N@@H+]1CC[C@H](NC[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC000246978677 388655130 /nfs/dbraw/zinc/65/51/30/388655130.db2.gz JOZOLLDQHBAEDZ-MCIONIFRSA-N 2 0 239.407 1.401 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)CCOC)C1 ZINC000247097045 388658953 /nfs/dbraw/zinc/65/89/53/388658953.db2.gz PUFMRCOLNBXLQX-CHWSQXEVSA-N 2 0 228.380 1.733 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1ccccn1 ZINC000128135470 388738645 /nfs/dbraw/zinc/73/86/45/388738645.db2.gz FKDGXTVVPQPDFF-JSGCOSHPSA-N 2 0 233.359 1.554 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCS1 ZINC000250670749 388739191 /nfs/dbraw/zinc/73/91/91/388739191.db2.gz UOKXTECDFQDTFZ-HBNTYKKESA-N 2 0 214.378 1.599 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cccc(CO)c2)C1 ZINC000227454460 388751089 /nfs/dbraw/zinc/75/10/89/388751089.db2.gz IDCHZVLGQNBJRM-KGLIPLIRSA-N 2 0 234.343 1.538 20 0 BDADRP CO[C@@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)CC[C@H]1C ZINC000251795816 388754685 /nfs/dbraw/zinc/75/46/85/388754685.db2.gz MBPUVDPJNCNBIO-HZSPNIEDSA-N 2 0 240.391 1.828 20 0 BDADRP CC[C@@H](C)[NH+](C)CC(O)C[N@@H+](C)[C@H](C)CC ZINC000248733484 388692246 /nfs/dbraw/zinc/69/22/46/388692246.db2.gz LYSTYURGFWEYID-VXGBXAGGSA-N 2 0 230.396 1.808 20 0 BDADRP Cc1noc(C)c1C[NH2+]C[C@H](C)Cn1ccnc1 ZINC000195251117 388702781 /nfs/dbraw/zinc/70/27/81/388702781.db2.gz CEVXXEVRKVJJQN-JTQLQIEISA-N 2 0 248.330 1.914 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]1C[C@H](C)O ZINC000249121421 388709831 /nfs/dbraw/zinc/70/98/31/388709831.db2.gz WXRMCCXGSCPLEA-UONOGXRCSA-N 2 0 242.407 1.954 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCCn2cccn2)CC[N@@H+]1C ZINC000126982972 388710859 /nfs/dbraw/zinc/71/08/59/388710859.db2.gz ILUGDTKKZDJTBE-STQMWFEESA-N 2 0 236.363 1.346 20 0 BDADRP CC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)C(C)C ZINC000127648904 388728444 /nfs/dbraw/zinc/72/84/44/388728444.db2.gz UVZJSJFARWBBSV-UONOGXRCSA-N 2 0 241.423 1.647 20 0 BDADRP CC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000253034671 388798906 /nfs/dbraw/zinc/79/89/06/388798906.db2.gz VTIFRUBFSBJSOY-UMSGYPCISA-N 2 0 226.364 1.268 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCO2)CC[N@@H+]1C ZINC000252127314 388760916 /nfs/dbraw/zinc/76/09/16/388760916.db2.gz LOOBJBFPGJOIDU-FRRDWIJNSA-N 2 0 226.364 1.628 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]C[C@@](C)(O)C[NH+](C)C)C1 ZINC000228138163 388770395 /nfs/dbraw/zinc/77/03/95/388770395.db2.gz KGNQRJLOOZDEMS-IJLUTSLNSA-N 2 0 214.353 1.077 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@H]1CCC[NH+](C)C1 ZINC000252709490 388774034 /nfs/dbraw/zinc/77/40/34/388774034.db2.gz CZRYIQJPTUKPFP-MCIONIFRSA-N 3 0 239.407 1.258 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+]1CCCc1cncn1C ZINC000564667247 388883222 /nfs/dbraw/zinc/88/32/22/388883222.db2.gz SULTUTMDNXZFJA-PHIMTYICSA-N 2 0 207.321 1.835 20 0 BDADRP CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000566088974 388986631 /nfs/dbraw/zinc/98/66/31/388986631.db2.gz XDVYXDMCWSAXJR-MQLXINIDSA-N 2 0 238.375 1.674 20 0 BDADRP C[C@@H]([NH2+]CCCc1cccs1)C1C[NH2+]C1 ZINC000566090837 388987467 /nfs/dbraw/zinc/98/74/67/388987467.db2.gz NUVUNVOSSNHDCH-SNVBAGLBSA-N 2 0 224.373 1.878 20 0 BDADRP Cc1ccoc1C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000266133780 388993745 /nfs/dbraw/zinc/99/37/45/388993745.db2.gz DQYAVCXEAOPXKW-UHFFFAOYSA-N 2 0 238.331 1.134 20 0 BDADRP C[C@@H]([NH2+]CC1(C2CC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000400367203 533356932 /nfs/dbraw/zinc/35/69/32/533356932.db2.gz FQAOPQUISXPSBD-PWSUYJOCSA-N 2 0 208.349 1.907 20 0 BDADRP C[C@@H](NCC1([NH+](C)C)CCC1)[C@H]1CCC[NH2+]1 ZINC000400502479 533360674 /nfs/dbraw/zinc/36/06/74/533360674.db2.gz CLFOGIFZAPOPJR-VXGBXAGGSA-N 2 0 225.380 1.201 20 0 BDADRP C([C@H]1CCSC1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257641401 533376959 /nfs/dbraw/zinc/37/69/59/533376959.db2.gz AZZBCXLCSLVXBO-VXGBXAGGSA-N 2 0 226.389 1.425 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)[C@@H]1CCCCO1 ZINC000400377113 533500150 /nfs/dbraw/zinc/50/01/50/533500150.db2.gz IYKRVJPYXIVNFM-LOWDOPEQSA-N 2 0 226.364 1.532 20 0 BDADRP CC[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000361519280 132280365 /nfs/dbraw/zinc/28/03/65/132280365.db2.gz NOEICVQGYBHTBF-UHFFFAOYSA-N 2 0 221.304 1.232 20 0 BDADRP C[C@@H](O)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000035601414 132338555 /nfs/dbraw/zinc/33/85/55/132338555.db2.gz OFIHETBXZRLPIF-LLVKDONJSA-N 2 0 235.331 1.021 20 0 BDADRP Cc1ccnc(N2CC[NH+](CCCC[NH3+])CC2)c1 ZINC000043561289 132353451 /nfs/dbraw/zinc/35/34/51/132353451.db2.gz QEJSGYWFGJCRKU-UHFFFAOYSA-N 2 0 248.374 1.251 20 0 BDADRP Cc1n[nH]cc1CN1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000335970971 134029630 /nfs/dbraw/zinc/02/96/30/134029630.db2.gz JORNIBVPOPWOOP-DGCLKSJQSA-N 2 0 234.347 1.244 20 0 BDADRP Cc1n[nH]cc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000336021860 134056220 /nfs/dbraw/zinc/05/62/20/134056220.db2.gz OWBFKQPRYOUQAX-ZDUSSCGKSA-N 2 0 248.374 1.540 20 0 BDADRP CCN(CC[NH2+]C1CCC([NH3+])CC1)C1CC1 ZINC000217517411 134248187 /nfs/dbraw/zinc/24/81/87/134248187.db2.gz MTZWDBVGQNHKNZ-UHFFFAOYSA-N 2 0 225.380 1.330 20 0 BDADRP Cc1nccn1C[C@@H](C)C[NH2+]C1CCOCC1 ZINC000174350337 134280957 /nfs/dbraw/zinc/28/09/57/134280957.db2.gz KWWBTRSEDQNIDA-NSHDSACASA-N 2 0 237.347 1.596 20 0 BDADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccncc1 ZINC000219304729 134281179 /nfs/dbraw/zinc/28/11/79/134281179.db2.gz ISNJPAODTDEDNJ-GFCCVEGCSA-N 2 0 237.347 1.310 20 0 BDADRP C[C@@H]1CCC[C@@H](C)C1[NH2+]CCOCC[NH+](C)C ZINC000219322065 134281551 /nfs/dbraw/zinc/28/15/51/134281551.db2.gz YHWIVBMEJJKZJO-CHWSQXEVSA-N 2 0 242.407 1.979 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](CC2CC[NH2+]CC2)C1 ZINC000178982240 134314113 /nfs/dbraw/zinc/31/41/13/134314113.db2.gz ZSQJRAWLMDALAN-CQSZACIVSA-N 3 0 239.407 1.260 20 0 BDADRP COC1CC([NH2+]C[C@H](C)C[NH+]2CCCC2)C1 ZINC000220848282 134316302 /nfs/dbraw/zinc/31/63/02/134316302.db2.gz FARXIMWWTHIMRS-HIFPTAJRSA-N 2 0 226.364 1.485 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]C2CCOCC2)[C@@H](C)C1 ZINC000222066835 134329239 /nfs/dbraw/zinc/32/92/39/134329239.db2.gz KCKGXXFGOCIMOI-WCQYABFASA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1CCC[C@@H](CO)[N@@H+]1CCCn1ccnc1 ZINC000181402843 134336368 /nfs/dbraw/zinc/33/63/68/134336368.db2.gz GGSOPCSISLJDLL-OLZOCXBDSA-N 2 0 237.347 1.509 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@H](CO)CC(C)(C)C)CCN1C ZINC000181522293 134337588 /nfs/dbraw/zinc/33/75/88/134337588.db2.gz XFAPHODHPWZOMX-AGIUHOORSA-N 2 0 242.407 1.856 20 0 BDADRP CC[NH+]1CCC([NH2+]CCC[C@H](C)CO)CC1 ZINC000223819688 134343186 /nfs/dbraw/zinc/34/31/86/134343186.db2.gz PJZIRHQBQOYNBF-LBPRGKRZSA-N 2 0 228.380 1.469 20 0 BDADRP CCCCC[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182959057 134349993 /nfs/dbraw/zinc/34/99/93/134349993.db2.gz QGMLGHGVDODFLX-UHFFFAOYSA-N 2 0 241.423 1.746 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+]C1CCC(O)CC1 ZINC000225817175 134355684 /nfs/dbraw/zinc/35/56/84/134355684.db2.gz ULGBXGLOUFZLEI-VOMCLLRMSA-N 2 0 214.353 1.220 20 0 BDADRP COC(=O)CCCN1CCCC[C@H]1[C@H](C)[NH3+] ZINC000063194773 134396761 /nfs/dbraw/zinc/39/67/61/134396761.db2.gz WPXLBNFIRPNAKF-QWRGUYRKSA-N 2 0 228.336 1.141 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1ccncc1 ZINC000132755553 134665711 /nfs/dbraw/zinc/66/57/11/134665711.db2.gz UYMHCBOVIRGFFN-JSGCOSHPSA-N 2 0 233.359 1.554 20 0 BDADRP Cc1ccc(F)cc1C[NH2+]CCCC[NH3+] ZINC000235787784 134811758 /nfs/dbraw/zinc/81/17/58/134811758.db2.gz JTJQBAATWKYHLT-UHFFFAOYSA-N 2 0 210.296 1.963 20 0 BDADRP COCC[C@H](C)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000082474754 134970217 /nfs/dbraw/zinc/97/02/17/134970217.db2.gz WGVFBILVOZMJPF-QWRGUYRKSA-N 2 0 214.353 1.471 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H](CC)COC)CC1 ZINC000070656306 135004482 /nfs/dbraw/zinc/00/44/82/135004482.db2.gz MTIFOIUSLVKRAK-LBPRGKRZSA-N 2 0 228.380 1.875 20 0 BDADRP C(C[NH2+]C[C@H]1CCSC1)C[NH+]1CCCC1 ZINC000163626586 135022261 /nfs/dbraw/zinc/02/22/61/135022261.db2.gz ZZZKHAKCVPKORY-GFCCVEGCSA-N 2 0 228.405 1.815 20 0 BDADRP Cc1cc(CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)on1 ZINC000249813885 135046062 /nfs/dbraw/zinc/04/60/62/135046062.db2.gz JPAPUAUKVZTNSQ-IRUJWGPZSA-N 2 0 237.347 1.801 20 0 BDADRP COC[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251001559 135061369 /nfs/dbraw/zinc/06/13/69/135061369.db2.gz PRJKEOUJVZLPTB-TUAOUCFPSA-N 2 0 212.337 1.238 20 0 BDADRP CCC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000251098961 135063995 /nfs/dbraw/zinc/06/39/95/135063995.db2.gz DBIZBRJBORRAFW-RDBSUJKOSA-N 2 0 240.391 1.564 20 0 BDADRP COC[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])C(C)C ZINC000251370056 135069203 /nfs/dbraw/zinc/06/92/03/135069203.db2.gz XBXZVYRGFHLZEB-AVGNSLFASA-N 2 0 228.380 1.765 20 0 BDADRP C[C@@H]1CSCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000251858567 135078730 /nfs/dbraw/zinc/07/87/30/135078730.db2.gz SFHYONGJBDWGIJ-VXGBXAGGSA-N 2 0 228.405 1.813 20 0 BDADRP C[C@H]1CCC[C@@H]([N@H+](C)CCOCC[NH3+])C1 ZINC000086435505 135084560 /nfs/dbraw/zinc/08/45/60/135084560.db2.gz PBPHZUXDUMNFRF-NWDGAFQWSA-N 2 0 214.353 1.472 20 0 BDADRP C([NH2+][C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C1CC1 ZINC000086494198 135086241 /nfs/dbraw/zinc/08/62/41/135086241.db2.gz FUDNZJUIIJAXLA-AVGNSLFASA-N 2 0 208.349 1.907 20 0 BDADRP CCOCC[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000086500993 135087284 /nfs/dbraw/zinc/08/72/84/135087284.db2.gz KKRXMIXOWUASTG-STQMWFEESA-N 2 0 228.380 1.923 20 0 BDADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCC[NH3+] ZINC000086501007 135087326 /nfs/dbraw/zinc/08/73/26/135087326.db2.gz LNOBKBSHJOAXAE-RYUDHWBXSA-N 2 0 213.369 1.236 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C[C@@H]1CCCCO1 ZINC000086495941 135087348 /nfs/dbraw/zinc/08/73/48/135087348.db2.gz VUCBFOFLXBMSIT-AGIUHOORSA-N 2 0 226.364 1.676 20 0 BDADRP CC[C@H](C)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000086723507 135095318 /nfs/dbraw/zinc/09/53/18/135095318.db2.gz QHOJAWDEDKDVTG-NSHDSACASA-N 2 0 214.353 1.615 20 0 BDADRP C[C@H](CO)[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252703275 135097919 /nfs/dbraw/zinc/09/79/19/135097919.db2.gz PNDZPQWNBJDJML-VOAKCMCISA-N 2 0 226.364 1.220 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC(C)(C)CCO ZINC000252714031 135100204 /nfs/dbraw/zinc/10/02/04/135100204.db2.gz QVUQVTGUCCZOPM-VXGBXAGGSA-N 2 0 228.380 1.325 20 0 BDADRP CC[N@@H+]1CC[C@H](NC[C@H](C)[NH+](C)C)[C@@H](C)C1 ZINC000252713131 135100247 /nfs/dbraw/zinc/10/02/47/135100247.db2.gz OKJUPXFJWPLMJC-AVGNSLFASA-N 2 0 227.396 1.256 20 0 BDADRP Cc1ncsc1CC[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086886225 135100341 /nfs/dbraw/zinc/10/03/41/135100341.db2.gz BLRJUSNEZJTSAU-KOLCDFICSA-N 2 0 239.388 1.663 20 0 BDADRP CC(C)[C@@](C)(O)C[NH2+]C1CCC([NH3+])CC1 ZINC000261533246 135109221 /nfs/dbraw/zinc/10/92/21/135109221.db2.gz KNCDNJIHUJZUSC-MCIGGMRASA-N 2 0 214.353 1.253 20 0 BDADRP C[C@H](O)[C@H]1CC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000252787438 135109984 /nfs/dbraw/zinc/10/99/84/135109984.db2.gz WLLQAXFACSVMHP-MELADBBJSA-N 2 0 240.391 1.564 20 0 BDADRP CSC[C@H](C)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000252913670 135116264 /nfs/dbraw/zinc/11/62/64/135116264.db2.gz OOLGGHSYIAHXEP-DCAQKATOSA-N 2 0 216.394 1.845 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)[C@H]1CCOC1 ZINC000253077278 135120317 /nfs/dbraw/zinc/12/03/17/135120317.db2.gz RZJHVOKIWDMQHS-MELADBBJSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000253245386 135124668 /nfs/dbraw/zinc/12/46/68/135124668.db2.gz GDZHSXZMRVPHJU-UPJWGTAASA-N 2 0 240.391 1.874 20 0 BDADRP C[N@H+](CCOCC1CC1)C[C@@]1(C)CC[NH2+]C1 ZINC000087399819 135128417 /nfs/dbraw/zinc/12/84/17/135128417.db2.gz AQGZXKOLZPIKNN-ZDUSSCGKSA-N 2 0 226.364 1.344 20 0 BDADRP COc1ccc(C[NH2+]C[C@H](C)C[NH3+])c(OC)c1 ZINC000258791166 135134308 /nfs/dbraw/zinc/13/43/08/135134308.db2.gz QBFKTZNJGKTQKP-SNVBAGLBSA-N 2 0 238.331 1.388 20 0 BDADRP Cc1nc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)oc1C ZINC000257646812 135137897 /nfs/dbraw/zinc/13/78/97/135137897.db2.gz CIHRXGFHDSDQTF-UHFFFAOYSA-N 2 0 249.358 1.867 20 0 BDADRP C([C@@H]1CCSC1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257739688 135140434 /nfs/dbraw/zinc/14/04/34/135140434.db2.gz YQQCCEWKYYBERD-STQMWFEESA-N 2 0 240.416 1.815 20 0 BDADRP C(C1CCCC1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000257708564 135140458 /nfs/dbraw/zinc/14/04/58/135140458.db2.gz NEWFSCUXENHWJX-AWEZNQCLSA-N 2 0 237.391 1.156 20 0 BDADRP C(C1CCCC1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000257708566 135140568 /nfs/dbraw/zinc/14/05/68/135140568.db2.gz NEWFSCUXENHWJX-CQSZACIVSA-N 2 0 237.391 1.156 20 0 BDADRP c1ncc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)s1 ZINC000257714994 135141132 /nfs/dbraw/zinc/14/11/32/135141132.db2.gz UPNXUXAXFFCFDC-UHFFFAOYSA-N 2 0 237.372 1.719 20 0 BDADRP CC(C)SCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000261527404 135151875 /nfs/dbraw/zinc/15/18/75/135151875.db2.gz AUCNTZVSKBYIFJ-GHMZBOCLSA-N 2 0 216.394 1.845 20 0 BDADRP FCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000261529596 135155807 /nfs/dbraw/zinc/15/58/07/135155807.db2.gz UAMAXWQQEGXYOQ-MXWKQRLJSA-N 2 0 200.301 1.466 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCSC1 ZINC000261529995 135157050 /nfs/dbraw/zinc/15/70/50/135157050.db2.gz WSAWIJNFIBIFSG-VWYCJHECSA-N 2 0 214.378 1.457 20 0 BDADRP c1cc(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)cs1 ZINC000261530518 135158453 /nfs/dbraw/zinc/15/84/53/135158453.db2.gz CPRNBDXBYPYFSM-VXGBXAGGSA-N 2 0 222.357 1.932 20 0 BDADRP CC[C@H]1CN(CC(C)(C)[NH3+])C[C@@H](C)O1 ZINC000261531233 135159785 /nfs/dbraw/zinc/15/97/85/135159785.db2.gz FTYZITBETQOEEP-ZJUUUORDSA-N 2 0 200.326 1.223 20 0 BDADRP CC(C)(C)CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261531448 135160318 /nfs/dbraw/zinc/16/03/18/135160318.db2.gz GODWNTBNSCIRMF-VXGBXAGGSA-N 2 0 210.365 1.964 20 0 BDADRP CC(C)OCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261531678 135161049 /nfs/dbraw/zinc/16/10/49/135161049.db2.gz HLQRBYTZUPEIBU-VXGBXAGGSA-N 2 0 212.337 1.095 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)[C@@H]1CCCO1 ZINC000087646251 135161335 /nfs/dbraw/zinc/16/13/35/135161335.db2.gz TZMGSMIXXJDWHF-TUAOUCFPSA-N 2 0 212.337 1.143 20 0 BDADRP C[N@H+](CCc1ccccc1)C1CC([NH3+])C1 ZINC000087653603 135161409 /nfs/dbraw/zinc/16/14/09/135161409.db2.gz VBJQMCHMIZTXCB-UHFFFAOYSA-N 2 0 204.317 1.651 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCOC1 ZINC000261533030 135164430 /nfs/dbraw/zinc/16/44/30/135164430.db2.gz GBFSVJMTFUFPRU-RWMBFGLXSA-N 2 0 226.364 1.520 20 0 BDADRP CC(C)[N@H+](CCOCC[NH3+])CC1CCC1 ZINC000261534435 135166807 /nfs/dbraw/zinc/16/68/07/135166807.db2.gz MKEJQLYJUGPYKI-UHFFFAOYSA-N 2 0 214.353 1.472 20 0 BDADRP CC(C)COCCN1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000261534354 135167082 /nfs/dbraw/zinc/16/70/82/135167082.db2.gz QBMADDWLZPWIDQ-OLZOCXBDSA-N 2 0 228.380 1.718 20 0 BDADRP CO[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CC[C@H]1C ZINC000261534663 135168063 /nfs/dbraw/zinc/16/80/63/135168063.db2.gz SLPQZGWINJSYIL-DGCLKSJQSA-N 2 0 226.364 1.343 20 0 BDADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCC(F)(F)F)C[C@H]12 ZINC000261534869 135168507 /nfs/dbraw/zinc/16/85/07/135168507.db2.gz NGOWVAFESPMHPF-XHNCKOQMSA-N 2 0 222.254 1.608 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@H]1C[NH3+])c1cn[nH]c1 ZINC000261535149 135169191 /nfs/dbraw/zinc/16/91/91/135169191.db2.gz NWBHHQBEVWIGSB-QXEWZRGKSA-N 2 0 208.309 1.188 20 0 BDADRP C[C@@H]1CC[C@H](C)N(Cc2noc(CN)n2)C1 ZINC000261535437 135169749 /nfs/dbraw/zinc/16/97/49/135169749.db2.gz YWFMFUWJAXYETP-BDAKNGLRSA-N 2 0 224.308 1.149 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCS[C@H](C)C2)CC[NH2+]1 ZINC000261535375 135169788 /nfs/dbraw/zinc/16/97/88/135169788.db2.gz OIQXNOOHCWVUKV-UTUOFQBUSA-N 2 0 228.405 1.812 20 0 BDADRP Cc1[nH+]ccc(N2CCC([NH3+])CC2)c1Cl ZINC000261537044 135173021 /nfs/dbraw/zinc/17/30/21/135173021.db2.gz UQZUJZDMBDTSLM-UHFFFAOYSA-N 2 0 225.723 1.971 20 0 BDADRP Cc1noc(C)c1C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000261538306 135175284 /nfs/dbraw/zinc/17/52/84/135175284.db2.gz ZELCKBZFYYUCOG-NEPJUHHUSA-N 2 0 237.347 1.899 20 0 BDADRP COCC(C)(C)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000261538043 135175808 /nfs/dbraw/zinc/17/58/08/135175808.db2.gz XGSBIOFQTSSAKU-GHMZBOCLSA-N 2 0 214.353 1.328 20 0 BDADRP FCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000261538485 135176046 /nfs/dbraw/zinc/17/60/46/135176046.db2.gz YGNIDJGMBYRTAV-GRYCIOLGSA-N 2 0 214.328 1.856 20 0 BDADRP FCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000261538486 135176175 /nfs/dbraw/zinc/17/61/75/135176175.db2.gz YGNIDJGMBYRTAV-IJLUTSLNSA-N 2 0 214.328 1.856 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+](C)C[C@H]2CCCN2C)CC[NH2+]1 ZINC000261540983 135180190 /nfs/dbraw/zinc/18/01/90/135180190.db2.gz IAVZSUDDKMXQJI-MGPQQGTHSA-N 2 0 239.407 1.401 20 0 BDADRP CCSCC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000261543489 135184981 /nfs/dbraw/zinc/18/49/81/135184981.db2.gz HWMQVKMTTUYHMH-UHFFFAOYSA-N 2 0 228.405 1.815 20 0 BDADRP Cc1noc(C)c1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261544375 135185057 /nfs/dbraw/zinc/18/50/57/135185057.db2.gz DVLCVNPOGCKNSJ-WCFLWFBJSA-N 2 0 235.331 1.461 20 0 BDADRP CC(C)C[C@H]1CC[N@H+](CCOCC[NH3+])C1 ZINC000261548684 135187175 /nfs/dbraw/zinc/18/71/75/135187175.db2.gz NVSWNBMXXKJSDX-GFCCVEGCSA-N 2 0 214.353 1.330 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCOCC2CC2)C1 ZINC000261551043 135189966 /nfs/dbraw/zinc/18/99/66/135189966.db2.gz PZWIUMPATRHCCO-PWSUYJOCSA-N 2 0 212.337 1.082 20 0 BDADRP Cc1cnn(CC[NH+]2CCC([C@H](C)[NH3+])CC2)c1 ZINC000261551532 135190630 /nfs/dbraw/zinc/19/06/30/135190630.db2.gz MDMRKDODYCXBKT-LBPRGKRZSA-N 2 0 236.363 1.251 20 0 BDADRP C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)[C@@H]1CCCO1 ZINC000261552546 135191177 /nfs/dbraw/zinc/19/11/77/135191177.db2.gz NABBRUZADHGUPV-ZDUSSCGKSA-N 2 0 238.375 1.631 20 0 BDADRP CSCCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000084216908 135192749 /nfs/dbraw/zinc/19/27/49/135192749.db2.gz HASYXFIFLGRINO-QWRGUYRKSA-N 2 0 216.394 1.847 20 0 BDADRP C[C@@H]1CSCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261553207 135192946 /nfs/dbraw/zinc/19/29/46/135192946.db2.gz SIUKBTOPRKZUDD-NWDGAFQWSA-N 2 0 228.405 1.671 20 0 BDADRP Cc1cnn(CC[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000261556200 135196053 /nfs/dbraw/zinc/19/60/53/135196053.db2.gz QNZYYPSDVMVFGV-CHWSQXEVSA-N 2 0 236.363 1.108 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@H]1C[NH3+])c1cnn(C)c1 ZINC000261562849 135204806 /nfs/dbraw/zinc/20/48/06/135204806.db2.gz BRAJMQZPUUOJON-JBLDHEPKSA-N 2 0 222.336 1.198 20 0 BDADRP CC(C)n1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000261563072 135205255 /nfs/dbraw/zinc/20/52/55/135205255.db2.gz GVCUFMKSVMLKON-IACUBPJLSA-N 2 0 248.374 1.633 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCc1cccnc1 ZINC000261564151 135205795 /nfs/dbraw/zinc/20/57/95/135205795.db2.gz XNEWWOAIUIWYGG-CYBMUJFWSA-N 2 0 233.359 1.602 20 0 BDADRP Cc1ncccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000261567839 135209596 /nfs/dbraw/zinc/20/95/96/135209596.db2.gz ITFFOCLJFVNHRC-RRFJBIMHSA-N 2 0 245.370 1.949 20 0 BDADRP C[C@@H]1CCC[C@H](C)C[N@H+]1CCOCC[NH3+] ZINC000261568390 135210730 /nfs/dbraw/zinc/21/07/30/135210730.db2.gz FNDRXXVXESOJGU-NWDGAFQWSA-N 2 0 214.353 1.472 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@@H]12 ZINC000261570963 135213154 /nfs/dbraw/zinc/21/31/54/135213154.db2.gz HFGJOFGGQVYRRN-UMSGYPCISA-N 2 0 224.348 1.082 20 0 BDADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cccnc3)C[C@H]12 ZINC000261572818 135214953 /nfs/dbraw/zinc/21/49/53/135214953.db2.gz IIMMPEVUXFGDGF-RWMBFGLXSA-N 2 0 217.316 1.251 20 0 BDADRP c1csc(C[NH2+]CC[C@@H]2CC[NH2+]C2)c1 ZINC000084384924 135217956 /nfs/dbraw/zinc/21/79/56/135217956.db2.gz XLEPVTSCKFLLNB-JTQLQIEISA-N 2 0 210.346 1.837 20 0 BDADRP c1cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cs1 ZINC000084385869 135218222 /nfs/dbraw/zinc/21/82/22/135218222.db2.gz BXCKAODHFWVIFE-JTQLQIEISA-N 2 0 210.346 1.837 20 0 BDADRP COC(=O)C(C)(C)C[NH2+]C1CCC([NH3+])CC1 ZINC000261577368 135218634 /nfs/dbraw/zinc/21/86/34/135218634.db2.gz LCOWXZDFCJQYLZ-UHFFFAOYSA-N 2 0 228.336 1.045 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H]1CCCOCC1 ZINC000261583370 135224519 /nfs/dbraw/zinc/22/45/19/135224519.db2.gz OYOYDRFHFACLLV-AGIUHOORSA-N 2 0 226.364 1.676 20 0 BDADRP C[C@](O)(C[NH2+][C@H]1CCCC[C@H]1C[NH3+])C1CC1 ZINC000261583823 135224742 /nfs/dbraw/zinc/22/47/42/135224742.db2.gz PGLWWNBZONPZTA-DRZSPHRISA-N 2 0 226.364 1.255 20 0 BDADRP CC1(C[NH2+]C2CC[NH+](CC3CC3)CC2)COC1 ZINC000164374208 135225610 /nfs/dbraw/zinc/22/56/10/135225610.db2.gz FTKUDKGXRHBAJG-UHFFFAOYSA-N 2 0 238.375 1.487 20 0 BDADRP Nc1cccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000261586522 135227674 /nfs/dbraw/zinc/22/76/74/135227674.db2.gz RDJOZSDHYRJWRQ-NSHDSACASA-N 2 0 205.305 1.049 20 0 BDADRP CC1(C)C[N@H+](C[C@H]2CCC[NH2+]C2)CC[C@H]1O ZINC000261589399 135230117 /nfs/dbraw/zinc/23/01/17/135230117.db2.gz TXSJBVKHDCIDHU-NWDGAFQWSA-N 2 0 226.364 1.079 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000261591578 135231775 /nfs/dbraw/zinc/23/17/75/135231775.db2.gz XSHMJWSYGFSMPP-BYCMXARLSA-N 2 0 245.370 1.815 20 0 BDADRP Cc1cc(N2CC[C@@]3(CC[NH2+]C3)C2)cc[nH+]1 ZINC000261595468 135235957 /nfs/dbraw/zinc/23/59/57/135235957.db2.gz YEIZKIPCMVNSDO-CYBMUJFWSA-N 2 0 217.316 1.580 20 0 BDADRP [NH3+]CC1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000261596875 135236520 /nfs/dbraw/zinc/23/65/20/135236520.db2.gz ZAJLTGRRTVMDRA-LBPRGKRZSA-N 2 0 212.337 1.084 20 0 BDADRP C[C@H]1[N@H+](CC(C)(C)[NH3+])CCC12CCOCC2 ZINC000261652205 135242751 /nfs/dbraw/zinc/24/27/51/135242751.db2.gz BCEADHIQDUXBDC-LLVKDONJSA-N 2 0 226.364 1.615 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](Cc2cccc(N)c2)CC1 ZINC000261655841 135243725 /nfs/dbraw/zinc/24/37/25/135243725.db2.gz IGHNWCKNQYYKFX-NSHDSACASA-N 2 0 233.359 1.828 20 0 BDADRP CCn1nc(C)c(CN2C[C@H]([NH3+])[C@@H](C)C2)c1C ZINC000261679659 135245114 /nfs/dbraw/zinc/24/51/14/135245114.db2.gz AGTNCMJOVKRDFV-ZANVPECISA-N 2 0 236.363 1.299 20 0 BDADRP C[C@@H](O)C1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261714694 135247503 /nfs/dbraw/zinc/24/75/03/135247503.db2.gz FCEDGLLOFZBEOX-YPMHNXCESA-N 2 0 226.364 1.079 20 0 BDADRP CC(C)[C@@H]1CN(C[C@@]2(C)CC[NH2+]C2)CC[N@@H+]1C ZINC000261716668 135247849 /nfs/dbraw/zinc/24/78/49/135247849.db2.gz FFDPNGIOEKEVCC-KBPBESRZSA-N 2 0 239.407 1.258 20 0 BDADRP C[C@@]1(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)CC[NH2+]C1 ZINC000261866395 135257844 /nfs/dbraw/zinc/25/78/44/135257844.db2.gz NZXYAMVBEWTCDS-QWHCGFSZSA-N 3 0 225.380 1.047 20 0 BDADRP C[NH2+]CCC1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261869290 135258287 /nfs/dbraw/zinc/25/82/87/135258287.db2.gz OJSMXPWYRKIITK-CQSZACIVSA-N 3 0 239.407 1.308 20 0 BDADRP CC[C@@H]1C[C@@H](C)CN1Cc1noc(CN)n1 ZINC000261861257 135258362 /nfs/dbraw/zinc/25/83/62/135258362.db2.gz WLKSKRMGVZFWBB-RKDXNWHRSA-N 2 0 224.308 1.149 20 0 BDADRP C[C@@H]1C[C@@H](N(C)C[C@@]2(C)CC[NH2+]C2)CC[N@@H+]1C ZINC000261947291 135265081 /nfs/dbraw/zinc/26/50/81/135265081.db2.gz FMQXIYLBHSKBJD-RDBSUJKOSA-N 2 0 239.407 1.401 20 0 BDADRP C[N@H+](CC[C@@H]1CCOC1)[C@@H]1CCC[NH2+]CC1 ZINC000261970197 135268352 /nfs/dbraw/zinc/26/83/52/135268352.db2.gz QGHKHBFPSHSYNK-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H]([NH2+]C1CC[NH2+]CC1)[C@@H]1CCCCO1 ZINC000261986186 135269374 /nfs/dbraw/zinc/26/93/74/135269374.db2.gz JZELNBBXCIQSQE-PWSUYJOCSA-N 2 0 212.337 1.286 20 0 BDADRP C[NH+](C)[C@@H]1CCCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262000768 135271357 /nfs/dbraw/zinc/27/13/57/135271357.db2.gz LFUXUFSIMCAMKL-ZIAGYGMSSA-N 2 0 239.407 1.402 20 0 BDADRP CC(C)([NH3+])C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000262014883 135272716 /nfs/dbraw/zinc/27/27/16/135272716.db2.gz VNMNMJWKTQKJLI-GFCCVEGCSA-N 2 0 226.364 1.472 20 0 BDADRP CC[C@@]1(CO)CCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000262023507 135274054 /nfs/dbraw/zinc/27/40/54/135274054.db2.gz WLHBXXPUDYEHFO-STQMWFEESA-N 2 0 226.364 1.223 20 0 BDADRP FC(F)COCC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262071897 135276743 /nfs/dbraw/zinc/27/67/43/135276743.db2.gz CLEZJMVNKNGKSR-UHFFFAOYSA-N 2 0 248.317 1.344 20 0 BDADRP C(C1CC[NH2+]CC1)[NH+]1CCN(C2CCC2)CC1 ZINC000262135705 135281282 /nfs/dbraw/zinc/28/12/82/135281282.db2.gz DLFUTFPWGGRZBL-UHFFFAOYSA-N 2 0 237.391 1.156 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)c1ccc(C[NH3+])cc1 ZINC000262429136 135296701 /nfs/dbraw/zinc/29/67/01/135296701.db2.gz IRIYAQIJTNAGIL-UHFFFAOYSA-N 2 0 249.358 1.393 20 0 BDADRP CC[C@H]1CCC[N@H+](CCN2CC[NH2+]CC2)CC1 ZINC000079342600 135307193 /nfs/dbraw/zinc/30/71/93/135307193.db2.gz VCDZMYNMZPVNAI-AWEZNQCLSA-N 2 0 239.407 1.404 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000262632093 135310537 /nfs/dbraw/zinc/31/05/37/135310537.db2.gz MXCPZDFVHKQOJQ-MNOVXSKESA-N 2 0 241.379 1.138 20 0 BDADRP CCN1C[C@@H](C)[C@@H]([NH2+]CCc2ccccn2)C1 ZINC000342960448 135342211 /nfs/dbraw/zinc/34/22/11/135342211.db2.gz NVSMWDBTZPDKQR-OCCSQVGLSA-N 2 0 233.359 1.554 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334412717 135396510 /nfs/dbraw/zinc/39/65/10/135396510.db2.gz LKNRXLAUDXYINP-KGLIPLIRSA-N 2 0 237.391 1.062 20 0 BDADRP CO[C@H]1C[N@H+](CC2CC[NH2+]CC2)CC[C@@H]1C ZINC000230309523 135529664 /nfs/dbraw/zinc/52/96/64/135529664.db2.gz SLPQZGWINJSYIL-AAEUAGOBSA-N 2 0 226.364 1.343 20 0 BDADRP C[C@@H](NC(=O)CC[C@H](C)[NH3+])C(C)(C)C[NH+](C)C ZINC000193319505 135590097 /nfs/dbraw/zinc/59/00/97/135590097.db2.gz YUWMLXNZUKUUMY-WDEREUQCSA-N 2 0 243.395 1.206 20 0 BDADRP CC[NH+](CC)CCCCNC(=O)CC[C@@H](C)[NH3+] ZINC000193299506 135591803 /nfs/dbraw/zinc/59/18/03/135591803.db2.gz VJCMXWUWEPFKLA-GFCCVEGCSA-N 2 0 243.395 1.352 20 0 BDADRP C[C@@H]1CCCN(C[C@@H]2CCC[NH2+]C2)[C@@H]1C[NH3+] ZINC000346994086 135988162 /nfs/dbraw/zinc/98/81/62/135988162.db2.gz BDKGYACNJONEKD-JHJVBQTASA-N 2 0 225.380 1.045 20 0 BDADRP Cc1ccncc1CCC[NH2+]C[C@@H](O)C(F)F ZINC000348070317 136026268 /nfs/dbraw/zinc/02/62/68/136026268.db2.gz GSOBEPSHNGLGQT-LLVKDONJSA-N 2 0 244.285 1.538 20 0 BDADRP c1cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)on1 ZINC000335340297 136063796 /nfs/dbraw/zinc/06/37/96/136063796.db2.gz GOBCWDAVXPSMIL-LBPRGKRZSA-N 2 0 235.331 1.496 20 0 BDADRP C[C@H]([NH3+])C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000335397728 136093185 /nfs/dbraw/zinc/09/31/85/136093185.db2.gz WHRBRKDDZTVLJU-WDEREUQCSA-N 2 0 212.337 1.273 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000335562279 136106483 /nfs/dbraw/zinc/10/64/83/136106483.db2.gz BKQHDQJJTXBGKT-VXGBXAGGSA-N 3 0 225.380 1.188 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@@H]3CCCCO3)C2)C1 ZINC000335569723 136108879 /nfs/dbraw/zinc/10/88/79/136108879.db2.gz CENMHZXNWDTHGA-UONOGXRCSA-N 2 0 238.375 1.583 20 0 BDADRP CC(C)([NH3+])CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000335598725 136113951 /nfs/dbraw/zinc/11/39/51/136113951.db2.gz LYWKHQHNJRTSMT-RYUDHWBXSA-N 2 0 219.332 1.458 20 0 BDADRP CCC[C@@H](C[NH2+]C[C@H]1CCC[N@H+](C)C1)OC ZINC000382393276 397945386 /nfs/dbraw/zinc/94/53/86/397945386.db2.gz MZPBAADHKMRPHE-OLZOCXBDSA-N 2 0 228.380 1.733 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000082581738 397955563 /nfs/dbraw/zinc/95/55/63/397955563.db2.gz IVDJTRCDBDBIBA-NEPJUHHUSA-N 2 0 226.364 1.472 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1CCCN1C)[C@@H]1CCCO1 ZINC000649583559 397968413 /nfs/dbraw/zinc/96/84/13/397968413.db2.gz RHRMXRMBQWCESQ-AGIUHOORSA-N 2 0 226.364 1.628 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](CCCc2ccccc2)C1 ZINC000011891412 397901760 /nfs/dbraw/zinc/90/17/60/397901760.db2.gz HGPKPSAMLUWWOR-CQSZACIVSA-N 2 0 218.344 1.900 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1C[C@H](F)CN1)C1CC[NH+](C)CC1 ZINC000643538082 397919714 /nfs/dbraw/zinc/91/97/14/397919714.db2.gz XWLZNCNMWXZOKP-WXHSDQCUSA-N 2 0 243.370 1.006 20 0 BDADRP CCCCNC(=O)CC[NH+]1CCC(C)([NH3+])CC1 ZINC000647924786 397989745 /nfs/dbraw/zinc/98/97/45/397989745.db2.gz JZZPYVZENICFMO-UHFFFAOYSA-N 2 0 241.379 1.106 20 0 BDADRP CCc1nc(C)c(CN2CC[C@@H]([NH3+])C[C@H]2C)o1 ZINC000383054097 397996127 /nfs/dbraw/zinc/99/61/27/397996127.db2.gz LSIIBBCNLVQMDH-MWLCHTKSSA-N 2 0 237.347 1.857 20 0 BDADRP C[C@H]1OCC[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000121008106 398002283 /nfs/dbraw/zinc/00/22/83/398002283.db2.gz VPEPSUIYJHPMTF-PWSUYJOCSA-N 2 0 212.337 1.095 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000372506334 398004554 /nfs/dbraw/zinc/00/45/54/398004554.db2.gz VBVLOEOWYADIGY-NSHDSACASA-N 2 0 241.379 1.152 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CCCC[C@H]1C[NH3+] ZINC000414659085 398007864 /nfs/dbraw/zinc/00/78/64/398007864.db2.gz RRVQEEVLPRFMPB-RYUDHWBXSA-N 2 0 213.369 1.173 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](C)O[C@@H]2C)[C@@H](C)C1 ZINC000649700277 398047795 /nfs/dbraw/zinc/04/77/95/398047795.db2.gz DZEUWCRBPCAUSY-PDWCTOEPSA-N 2 0 240.391 1.872 20 0 BDADRP C[NH2+][C@@H](C)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000054073439 398024990 /nfs/dbraw/zinc/02/49/90/398024990.db2.gz PIDQTPAVLAAWDY-JTQLQIEISA-N 2 0 235.331 1.295 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCC(F)(F)F)C[C@@H]21 ZINC000163665553 398030364 /nfs/dbraw/zinc/03/03/64/398030364.db2.gz MSRUTIOSCBMISJ-KXUCPTDWSA-N 2 0 236.281 1.998 20 0 BDADRP CCC[NH+]1CCC([NH2+]CC[C@H]2CC[NH2+]C2)CC1 ZINC000414829581 398050512 /nfs/dbraw/zinc/05/05/12/398050512.db2.gz LBVVHNGQGNSVAV-CYBMUJFWSA-N 3 0 239.407 1.450 20 0 BDADRP C[N@H+](Cc1cccc2nccn21)[C@@H]1CCOC1 ZINC000271756792 397973214 /nfs/dbraw/zinc/97/32/14/397973214.db2.gz XMPMNCQTTBMLHT-GFCCVEGCSA-N 2 0 231.299 1.555 20 0 BDADRP C[NH2+]C[C@H](C)CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000414851175 398059484 /nfs/dbraw/zinc/05/94/84/398059484.db2.gz OURGNAWYFNNXMW-REWJHTLYSA-N 2 0 239.407 1.352 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414917610 398092525 /nfs/dbraw/zinc/09/25/25/398092525.db2.gz RVOLZZIGNUHBQD-SRVKXCTJSA-N 2 0 212.337 1.143 20 0 BDADRP CCCC[NH+]1CCC([NH2+][C@H](C)[C@H](C)O)CC1 ZINC000564857891 398077347 /nfs/dbraw/zinc/07/73/47/398077347.db2.gz ZTNNJUFWJTYKMX-NEPJUHHUSA-N 2 0 228.380 1.610 20 0 BDADRP C(CN1CCC[NH2+]CC1)[C@@H]1CCCCO1 ZINC000224164458 398102678 /nfs/dbraw/zinc/10/26/78/398102678.db2.gz GRXDFTCXTXLLMJ-LBPRGKRZSA-N 2 0 212.337 1.241 20 0 BDADRP CC(C)(C)[NH2+]CC[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414969843 398131511 /nfs/dbraw/zinc/13/15/11/398131511.db2.gz UGQOUZIEWBIRPI-LBPRGKRZSA-N 3 0 227.396 1.496 20 0 BDADRP C[N@H+](C[C@H]1CCC2(CCCC2)O1)C1CC([NH3+])C1 ZINC000385110901 398134311 /nfs/dbraw/zinc/13/43/11/398134311.db2.gz CYNCLTZTMVQMSW-WXRRBKDZSA-N 2 0 238.375 1.900 20 0 BDADRP CC(C)[NH2+]C1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000336700603 167094967 /nfs/dbraw/zinc/09/49/67/167094967.db2.gz LHMFYRXHWZULGK-ZDUSSCGKSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccccc1 ZINC000258653990 322875652 /nfs/dbraw/zinc/87/56/52/322875652.db2.gz MXNCAXOHCGTNIC-AWEZNQCLSA-N 2 0 247.386 1.633 20 0 BDADRP COc1ccc(C[NH2+]C[C@H](C)C[NH3+])cc1 ZINC000258840984 322878289 /nfs/dbraw/zinc/87/82/89/322878289.db2.gz WFIZRMBGARVVAI-SNVBAGLBSA-N 2 0 208.305 1.380 20 0 BDADRP Cc1cccc2c1C[NH2+]CCN2CCC[NH3+] ZINC000334881829 487579762 /nfs/dbraw/zinc/57/97/62/487579762.db2.gz MTGFGZLXGOSOKF-UHFFFAOYSA-N 2 0 219.332 1.253 20 0 BDADRP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)CN1C1CC1 ZINC000178318431 487608974 /nfs/dbraw/zinc/60/89/74/487608974.db2.gz VLYBVJXZPNEGAF-HNTFPEDGSA-N 2 0 236.359 1.521 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@@H](C[NH3+])C1)C1CCCCC1 ZINC000662245199 409537512 /nfs/dbraw/zinc/53/75/12/409537512.db2.gz IUFBYQCEIWSFQB-GXTWGEPZSA-N 2 0 240.391 1.862 20 0 BDADRP C[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CCCCC1 ZINC000662248773 409548892 /nfs/dbraw/zinc/54/88/92/409548892.db2.gz DAMKBXKYTCKKRI-ZDUSSCGKSA-N 2 0 238.375 1.772 20 0 BDADRP CC[C@H]([NH2+]C)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000662422110 409704260 /nfs/dbraw/zinc/70/42/60/409704260.db2.gz NCJUIUGYCWSAER-SKDRFNHKSA-N 2 0 235.331 1.643 20 0 BDADRP CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422969168 409758603 /nfs/dbraw/zinc/75/86/03/409758603.db2.gz UARBJPZRCIHBDT-NNYUYHANSA-N 2 0 214.353 1.659 20 0 BDADRP CC(C)C[NH2+]C1(CO)CC[NH+](CC(C)C)CC1 ZINC000232572645 487612150 /nfs/dbraw/zinc/61/21/50/487612150.db2.gz DDXHCZXBQXWDDV-UHFFFAOYSA-N 2 0 242.407 1.715 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000566087933 410065782 /nfs/dbraw/zinc/06/57/82/410065782.db2.gz FRSLKCFUAIEYGQ-GLQYFDAESA-N 3 0 245.370 1.720 20 0 BDADRP C[C@H]([NH2+]C[C@H](O)C1CCC1)C1CC[NH+](C)CC1 ZINC000316009307 410095825 /nfs/dbraw/zinc/09/58/25/410095825.db2.gz RQORNEVDDLSWOZ-FZMZJTMJSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@H]1C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000663495985 410274642 /nfs/dbraw/zinc/27/46/42/410274642.db2.gz BSVLWXWSSQGXBS-DOMZBBRYSA-N 3 0 247.386 1.481 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)C[C@H]2CCC[NH2+]C2)cc1 ZINC000655454064 410324009 /nfs/dbraw/zinc/32/40/09/410324009.db2.gz VUXFAAVBRSEFSE-GFCCVEGCSA-N 2 0 247.342 1.474 20 0 BDADRP CCOC[C@@H](C)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650718004 410355891 /nfs/dbraw/zinc/35/58/91/410355891.db2.gz UMNSNPLTBRFHRF-SNVBAGLBSA-N 2 0 240.322 1.799 20 0 BDADRP C[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)[C@@H]1CC[NH3+] ZINC000650712146 410343152 /nfs/dbraw/zinc/34/31/52/410343152.db2.gz SJDCVVJKDZBZGI-TZMCWYRMSA-N 3 0 239.407 1.435 20 0 BDADRP C[C@H]1C[C@@H](C[NH2+]CCC2(C[NH3+])CC2)CC[NH2+]1 ZINC000650713799 410345640 /nfs/dbraw/zinc/34/56/40/410345640.db2.gz CETMBCQEZAXIGZ-RYUDHWBXSA-N 3 0 225.380 1.093 20 0 BDADRP COC[C@@H](C)C[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650716816 410349456 /nfs/dbraw/zinc/34/94/56/410349456.db2.gz KIGPFIQUVLOKKF-JTQLQIEISA-N 2 0 240.322 1.657 20 0 BDADRP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)C2(CCC2)CO1 ZINC000650720275 410358695 /nfs/dbraw/zinc/35/86/95/410358695.db2.gz KJRNJVHXKWDIOL-GFCCVEGCSA-N 2 0 238.375 1.629 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC000650720686 410360575 /nfs/dbraw/zinc/36/05/75/410360575.db2.gz YODWQCGNJYTDBR-OAHLLOKOSA-N 2 0 247.386 1.495 20 0 BDADRP Cn1c(=O)ccc2c1CCC[C@H]2[NH2+]CC(C)(C)[NH3+] ZINC000650725184 410363048 /nfs/dbraw/zinc/36/30/48/410363048.db2.gz VCWDZJZSURRNHS-LLVKDONJSA-N 2 0 249.358 1.090 20 0 BDADRP FC1(F)C[C@@]12CC[N@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000650725327 410363252 /nfs/dbraw/zinc/36/32/52/410363252.db2.gz YJTIKALRTMHOKO-WDEREUQCSA-N 2 0 230.302 1.717 20 0 BDADRP C1C[C@@H]2O[C@H]1C[C@H]2[NH2+][C@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000650742803 410376825 /nfs/dbraw/zinc/37/68/25/410376825.db2.gz DUZDEMNLRHYTDP-JJEKRJTGSA-N 2 0 236.359 1.284 20 0 BDADRP CC[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1cnn(C)c1 ZINC000650744520 410381525 /nfs/dbraw/zinc/38/15/25/410381525.db2.gz PCEYNUYGUMTUDH-GFCCVEGCSA-N 2 0 236.363 1.590 20 0 BDADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)[C@@H]1CCCOC1 ZINC000650745597 410382659 /nfs/dbraw/zinc/38/26/59/410382659.db2.gz KHBVEQXKPNNWEF-NWDGAFQWSA-N 2 0 226.364 1.520 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+]CCC2(C[NH3+])CC2)C1(C)C ZINC000650745917 410384340 /nfs/dbraw/zinc/38/43/40/410384340.db2.gz QVJYHLNFFYGYAQ-NEPJUHHUSA-N 2 0 240.391 1.909 20 0 BDADRP COCC[C@H]1CCC[C@@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650746935 410384596 /nfs/dbraw/zinc/38/45/96/410384596.db2.gz NQNLZDWHHJWJCZ-OLZOCXBDSA-N 2 0 240.391 1.910 20 0 BDADRP [NH3+]CC1(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000650746024 410385463 /nfs/dbraw/zinc/38/54/63/410385463.db2.gz ULMWNQKYFFRZBM-CHWSQXEVSA-N 2 0 237.391 1.332 20 0 BDADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1cn[nH]c1 ZINC000650747211 410385508 /nfs/dbraw/zinc/38/55/08/410385508.db2.gz USAQSZPVEBBXLD-SECBINFHSA-N 2 0 208.309 1.189 20 0 BDADRP [NH3+]CC1(CC[NH2+][C@H]2CCn3ccnc32)CC1 ZINC000650746516 410386031 /nfs/dbraw/zinc/38/60/31/410386031.db2.gz DUPVJNQWZIZGED-JTQLQIEISA-N 2 0 220.320 1.047 20 0 BDADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1cnccc1N ZINC000650747695 410388138 /nfs/dbraw/zinc/38/81/38/410388138.db2.gz FTDHBNIEEKLAHH-JTQLQIEISA-N 2 0 234.347 1.274 20 0 BDADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1cnccc1N ZINC000650747696 410388652 /nfs/dbraw/zinc/38/86/52/410388652.db2.gz FTDHBNIEEKLAHH-SNVBAGLBSA-N 2 0 234.347 1.274 20 0 BDADRP C[C@H]([NH2+][C@H]1CNc2ccccc2C1)C1C[NH2+]C1 ZINC000650748268 410388696 /nfs/dbraw/zinc/38/86/96/410388696.db2.gz QYSLJCZXAKIEHS-GXFFZTMASA-N 2 0 231.343 1.221 20 0 BDADRP C[NH2+]Cc1ccccc1CN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000650755872 410399332 /nfs/dbraw/zinc/39/93/32/410399332.db2.gz OPHWQLUTBFXTMT-WFASDCNBSA-N 2 0 247.386 1.636 20 0 BDADRP [NH3+]Cc1ccc(CN[C@H]2CCC[C@@H]2[NH3+])c(F)c1 ZINC000650756183 410402955 /nfs/dbraw/zinc/40/29/55/410402955.db2.gz WBHKXTAADOWUQQ-STQMWFEESA-N 2 0 237.322 1.254 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000650758472 410404384 /nfs/dbraw/zinc/40/43/84/410404384.db2.gz QKNPXZOMERFFPL-IUODEOHRSA-N 2 0 247.386 1.446 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC2CC[NH2+]CC2)[C@@H](C)O1 ZINC000650761635 410409701 /nfs/dbraw/zinc/40/97/01/410409701.db2.gz FWVPLNZJLQXCSN-WZRBSPASSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@@H](Cc1cnccn1)[NH2+]CCC1CC[NH2+]CC1 ZINC000650761614 410409772 /nfs/dbraw/zinc/40/97/72/410409772.db2.gz FHNFGVUVIGQBLS-LBPRGKRZSA-N 2 0 248.374 1.387 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650762214 410411973 /nfs/dbraw/zinc/41/19/73/410411973.db2.gz XGCKHGBEUXVNLC-JSGCOSHPSA-N 3 0 239.407 1.354 20 0 BDADRP COC[C@@H]([NH2+]CCC1CC[NH2+]CC1)C(C)C ZINC000650763796 410412851 /nfs/dbraw/zinc/41/28/51/410412851.db2.gz JOYRWTAHFURGBA-CYBMUJFWSA-N 2 0 228.380 1.637 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@](C)(CC)C1 ZINC000309276216 410700851 /nfs/dbraw/zinc/70/08/51/410700851.db2.gz SCNOLNNIWDFORI-QWHCGFSZSA-N 2 0 228.380 1.421 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H](CO)C2CCC2)C1 ZINC000665234843 410727451 /nfs/dbraw/zinc/72/74/51/410727451.db2.gz KRNFKVWAOFZXNM-UTUOFQBUSA-N 2 0 212.337 1.007 20 0 BDADRP CC[NH+](CC)CC1CC[NH+](CCCCO)CC1 ZINC000336705005 169769799 /nfs/dbraw/zinc/76/97/99/169769799.db2.gz DGUZYXSPVLYETR-UHFFFAOYSA-N 2 0 242.407 1.813 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)C1C[NH2+]C1 ZINC000665265036 410737347 /nfs/dbraw/zinc/73/73/47/410737347.db2.gz OCRIBDGTMVFGCU-JFGNBEQYSA-N 2 0 212.337 1.142 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCC[C@@H](C)O1 ZINC000665264967 410737594 /nfs/dbraw/zinc/73/75/94/410737594.db2.gz NDIKOCLGBRAKPY-AGIUHOORSA-N 2 0 244.379 1.288 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1c(C2CC2)cnn1C ZINC000665264486 410739585 /nfs/dbraw/zinc/73/95/85/410739585.db2.gz ABJFEADGRCDRDM-UWVGGRQHSA-N 2 0 236.363 1.513 20 0 BDADRP C[C@@H]([NH2+]CCCc1ccco1)C1C[NH2+]C1 ZINC000665282709 410761285 /nfs/dbraw/zinc/76/12/85/410761285.db2.gz AFHWKBLLGJXQOT-SNVBAGLBSA-N 2 0 208.305 1.410 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H]1CCCC[C@H]1C ZINC000393837410 410763999 /nfs/dbraw/zinc/76/39/99/410763999.db2.gz RGNLSSSEBVJGID-RDBSUJKOSA-N 2 0 242.407 1.856 20 0 BDADRP CO[C@@H](C[NH2+][C@@H](C)C1C[NH2+]C1)C1CCCCC1 ZINC000665283015 410764147 /nfs/dbraw/zinc/76/41/47/410764147.db2.gz GFDWIDWXCTZMMD-FZMZJTMJSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@H]([NH3+])[C@@H]1C[N@H+](C[C@H]2CCCC[C@H]2C)CCO1 ZINC000394864327 410829030 /nfs/dbraw/zinc/82/90/30/410829030.db2.gz SHWJVGZJJSMFOZ-RQJABVFESA-N 2 0 240.391 1.861 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H](C)C[NH3+] ZINC000044798945 169775872 /nfs/dbraw/zinc/77/58/72/169775872.db2.gz IEUYQRWLEYNNQC-VXGBXAGGSA-N 2 0 243.395 1.208 20 0 BDADRP CN1CCC[C@@H]1C[NH2+]C(C)(C)C(C)(C)O ZINC000395322482 410846355 /nfs/dbraw/zinc/84/63/55/410846355.db2.gz NDBLIOPAJGFNAA-SNVBAGLBSA-N 2 0 214.353 1.220 20 0 BDADRP CC(C)C[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000040435559 167005030 /nfs/dbraw/zinc/00/50/30/167005030.db2.gz BWWFSJYVZOBUHM-AWEZNQCLSA-N 2 0 241.423 1.504 20 0 BDADRP CC(C)[NH2+]C1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000336700602 167094932 /nfs/dbraw/zinc/09/49/32/167094932.db2.gz LHMFYRXHWZULGK-CYBMUJFWSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)[NH2+]C1CC[NH+](C[C@@H](O)C(C)C)CC1 ZINC000336664708 167095020 /nfs/dbraw/zinc/09/50/20/167095020.db2.gz GFCAOXPNJUHOKO-CYBMUJFWSA-N 2 0 228.380 1.466 20 0 BDADRP CC(C)OCCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357087774 167216582 /nfs/dbraw/zinc/21/65/82/167216582.db2.gz WZKDLTYEHXYFCV-OLZOCXBDSA-N 2 0 226.364 1.343 20 0 BDADRP CC(C)OCC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000336657367 167234687 /nfs/dbraw/zinc/23/46/87/167234687.db2.gz IHMOZBQXFCZGEV-CYBMUJFWSA-N 2 0 226.364 1.439 20 0 BDADRP C[C@H](CCCCO)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000651402601 410984805 /nfs/dbraw/zinc/98/48/05/410984805.db2.gz LCLBLUYJNYQQBT-IYXRBSQSSA-N 2 0 242.407 2.000 20 0 BDADRP CCO[C@@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000042422730 411000629 /nfs/dbraw/zinc/00/06/29/411000629.db2.gz XAUBYVIUSRCBHZ-CQSZACIVSA-N 2 0 240.391 1.877 20 0 BDADRP C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCCC[NH2+]1 ZINC000300136685 411079223 /nfs/dbraw/zinc/07/92/23/411079223.db2.gz RLGWJVDBYMKCFX-BFHYXJOUSA-N 2 0 237.391 1.345 20 0 BDADRP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CCC1 ZINC000400928563 411163831 /nfs/dbraw/zinc/16/38/31/411163831.db2.gz NFHONUCLEOBBCJ-RWMBFGLXSA-N 2 0 208.349 1.764 20 0 BDADRP CC1(C)COC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400919100 411163849 /nfs/dbraw/zinc/16/38/49/411163849.db2.gz IQLAGXSMMDQPIP-XQHKEYJVSA-N 2 0 238.375 1.389 20 0 BDADRP [NH3+]C1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000400927086 411163891 /nfs/dbraw/zinc/16/38/91/411163891.db2.gz HQWGPNZRDNRTQQ-XPXVYLNCSA-N 3 0 237.391 1.234 20 0 BDADRP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)[C@H]1CCOC1 ZINC000651864883 411147934 /nfs/dbraw/zinc/14/79/34/411147934.db2.gz HXGVCHPODZXCEK-KGLIPLIRSA-N 2 0 242.407 1.979 20 0 BDADRP C[C@H]([NH3+])CN1CCC[C@H](OC2CCC2)C1 ZINC000655946031 411161080 /nfs/dbraw/zinc/16/10/80/411161080.db2.gz JRYZNXPCKWYDPB-JQWIXIFHSA-N 2 0 212.337 1.367 20 0 BDADRP Cc1ncc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000400995676 411168473 /nfs/dbraw/zinc/16/84/73/411168473.db2.gz IQHHZJHJIRFEEI-SDDRHHMPSA-N 2 0 235.331 1.461 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000401006130 411169571 /nfs/dbraw/zinc/16/95/71/411169571.db2.gz DLWSWZWNLAHZDW-XJFOESAGSA-N 2 0 238.375 1.389 20 0 BDADRP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401013681 411172199 /nfs/dbraw/zinc/17/21/99/411172199.db2.gz HZOYQCGSRNMSFX-YVECIDJPSA-N 2 0 240.391 1.514 20 0 BDADRP C[N@H+]1CC=C(C[NH2+][C@@H]2COC3(CCC3)C2)CC1 ZINC000657937654 411173183 /nfs/dbraw/zinc/17/31/83/411173183.db2.gz KBMKAFTUCXYMJP-ZDUSSCGKSA-N 2 0 236.359 1.550 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cnn(C)c1 ZINC000401038176 411173484 /nfs/dbraw/zinc/17/34/84/411173484.db2.gz SEZUEAWCQNAJPN-ZJQBRPOHSA-N 2 0 248.374 1.459 20 0 BDADRP CO[C@H](C)CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401041415 411174248 /nfs/dbraw/zinc/17/42/48/411174248.db2.gz DWSLVOXYTGWPMU-FDYHWXHSSA-N 2 0 226.364 1.389 20 0 BDADRP Cc1noc(C)c1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401045940 411174578 /nfs/dbraw/zinc/17/45/78/411174578.db2.gz VUEMTXUTDOZVOU-YNEHKIRRSA-N 2 0 249.358 1.769 20 0 BDADRP CCOCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401055413 411174631 /nfs/dbraw/zinc/17/46/31/411174631.db2.gz HPAPRRQABDKKDQ-YNEHKIRRSA-N 2 0 226.364 1.391 20 0 BDADRP CCC[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)OC ZINC000401051236 411174805 /nfs/dbraw/zinc/17/48/05/411174805.db2.gz YFHOEMPZSCHYJE-XJFOESAGSA-N 2 0 240.391 1.779 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401063813 411175678 /nfs/dbraw/zinc/17/56/78/411175678.db2.gz KLNJRYIJJAUEDR-LOWDOPEQSA-N 2 0 226.364 1.125 20 0 BDADRP CC[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)OC ZINC000401083097 411176427 /nfs/dbraw/zinc/17/64/27/411176427.db2.gz SUBWVYPEWZKRLL-FDYHWXHSSA-N 2 0 226.364 1.389 20 0 BDADRP c1coc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000401118642 411176600 /nfs/dbraw/zinc/17/66/00/411176600.db2.gz IXCQPTKGICWJMY-RWMBFGLXSA-N 2 0 234.343 1.800 20 0 BDADRP CCOCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401104277 411177039 /nfs/dbraw/zinc/17/70/39/411177039.db2.gz DJPCWOUJDMIXSS-IJLUTSLNSA-N 2 0 212.337 1.001 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1C1CC1 ZINC000659879978 411177906 /nfs/dbraw/zinc/17/79/06/411177906.db2.gz YYGSTXKBUTXNJP-UONOGXRCSA-N 2 0 240.391 1.562 20 0 BDADRP C[C@H](CCO)CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401149331 411178494 /nfs/dbraw/zinc/17/84/94/411178494.db2.gz PAJNJGRZFDFGPH-XDQVBPFNSA-N 2 0 240.391 1.373 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CCOCC[NH+](C)C)CS1 ZINC000655757575 411188873 /nfs/dbraw/zinc/18/88/73/411188873.db2.gz JDYQIVASUCLTBL-VXGBXAGGSA-N 2 0 246.420 1.438 20 0 BDADRP COC1([C@@H](C)[NH2+]CCOCC[NH+](C)C)CCC1 ZINC000657986919 411190077 /nfs/dbraw/zinc/19/00/77/411190077.db2.gz JQYSHEDAGPFFNB-GFCCVEGCSA-N 2 0 244.379 1.112 20 0 BDADRP C[NH+](C)CCCC[NH2+]Cc1cncs1 ZINC000054788424 411193654 /nfs/dbraw/zinc/19/36/54/411193654.db2.gz HFECSXGAECXGTG-UHFFFAOYSA-N 2 0 213.350 1.575 20 0 BDADRP C[C@H]([NH2+][C@H](CO)CCF)C1CC[NH+](C)CC1 ZINC000652305781 411195512 /nfs/dbraw/zinc/19/55/12/411195512.db2.gz IXFMZOKDHUEUQY-JQWIXIFHSA-N 2 0 232.343 1.027 20 0 BDADRP C[N@H+](C[C@@H]1CC[NH2+]C1)C(C1CC1)C1CC1 ZINC000309663430 411197063 /nfs/dbraw/zinc/19/70/63/411197063.db2.gz ZDEXEJXEPKLETR-SNVBAGLBSA-N 2 0 208.349 1.716 20 0 BDADRP [NH3+][C@H]1CCC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000656192620 411198367 /nfs/dbraw/zinc/19/83/67/411198367.db2.gz MCCCPNQIFGCSFY-MSXOGSJSSA-N 2 0 223.364 1.129 20 0 BDADRP [NH3+][C@H]1CCC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000656192619 411198533 /nfs/dbraw/zinc/19/85/33/411198533.db2.gz MCCCPNQIFGCSFY-KZKMVBDOSA-N 2 0 223.364 1.129 20 0 BDADRP CC1(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]CC1 ZINC000656193038 411198552 /nfs/dbraw/zinc/19/85/52/411198552.db2.gz JHZIRULJWCYBQN-VXGBXAGGSA-N 3 0 225.380 1.236 20 0 BDADRP COc1cccc2c1OCC[C@H]2[NH2+]CCC[NH3+] ZINC000656194182 411199939 /nfs/dbraw/zinc/19/99/39/411199939.db2.gz BZDKHHZVBBJWAV-LLVKDONJSA-N 2 0 236.315 1.457 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCc2ccc(CO)cc2)C1 ZINC000656198072 411203127 /nfs/dbraw/zinc/20/31/27/411203127.db2.gz HHMMVJJYTWILRE-CABCVRRESA-N 2 0 248.370 1.581 20 0 BDADRP Cc1cnc(CC[NH2+][C@@H]2CCC[C@H]2[NH3+])c(C)c1 ZINC000656200262 411204295 /nfs/dbraw/zinc/20/42/95/411204295.db2.gz KOPKESFDXNYTBC-TZMCWYRMSA-N 2 0 233.359 1.710 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC000656200148 411204376 /nfs/dbraw/zinc/20/43/76/411204376.db2.gz GAWRGURWAYTUCQ-GJZGRUSLSA-N 3 0 245.370 1.649 20 0 BDADRP COCC1(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000656200300 411204655 /nfs/dbraw/zinc/20/46/55/411204655.db2.gz LCZWVSOWULDRMM-RYUDHWBXSA-N 2 0 226.364 1.520 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656200968 411204692 /nfs/dbraw/zinc/20/46/92/411204692.db2.gz GSXUHWCEVMZHFF-XUXIUFHCSA-N 2 0 239.407 1.719 20 0 BDADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC000652340983 411206018 /nfs/dbraw/zinc/20/60/18/411206018.db2.gz RPZXHNFUOOJXEH-GFCCVEGCSA-N 2 0 248.374 1.390 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCCC1CC1 ZINC000656200943 411206599 /nfs/dbraw/zinc/20/65/99/411206599.db2.gz ZOIYPIPPXWEQDX-DRZSPHRISA-N 2 0 226.364 1.519 20 0 BDADRP COc1c(C)cccc1CN[C@@H]1CCC[C@@H]1[NH3+] ZINC000656201323 411206685 /nfs/dbraw/zinc/20/66/85/411206685.db2.gz VNHJBMNURRLFIC-QWHCGFSZSA-N 2 0 234.343 1.973 20 0 BDADRP C[NH2+]C[C@@](C)(O)C[N@H+](C)CCC(C)(C)C ZINC000652341670 411206988 /nfs/dbraw/zinc/20/69/88/411206988.db2.gz FYOBFTKKOKWMBX-GFCCVEGCSA-N 2 0 216.369 1.325 20 0 BDADRP O[C@@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000652353375 411212002 /nfs/dbraw/zinc/21/20/02/411212002.db2.gz CCIBNAOLZMNWIO-OAHLLOKOSA-N 2 0 246.354 1.289 20 0 BDADRP C[NH2+]CCCN1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000652356140 411214816 /nfs/dbraw/zinc/21/48/16/411214816.db2.gz TZPZQYKFJQJFMF-RYUDHWBXSA-N 2 0 213.369 1.045 20 0 BDADRP COC[C@H](C)C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656268311 411222813 /nfs/dbraw/zinc/22/28/13/411222813.db2.gz BNHWZLUFYRRFSZ-UTUOFQBUSA-N 2 0 214.353 1.199 20 0 BDADRP C[N@H+](CCC[NH3+])CCCOCC(F)(F)F ZINC000049312069 411231522 /nfs/dbraw/zinc/23/15/22/411231522.db2.gz YKQOUBQBWBMUKD-UHFFFAOYSA-N 2 0 228.258 1.236 20 0 BDADRP COCCC1(C[NH2+][C@@H]2CCC[C@H]2[NH3+])CCC1 ZINC000422883626 411234060 /nfs/dbraw/zinc/23/40/60/411234060.db2.gz CNQXGPVJFDIBAV-VXGBXAGGSA-N 2 0 226.364 1.663 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@H]1C[NH2+]CC[C@H]1C ZINC000422905650 411234813 /nfs/dbraw/zinc/23/48/13/411234813.db2.gz IMXCFWQGLMOQCP-AGIUHOORSA-N 2 0 227.396 1.304 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000423173550 411236311 /nfs/dbraw/zinc/23/63/11/411236311.db2.gz ZDKHFHQPVKFAJX-CHWSQXEVSA-N 3 0 227.396 1.435 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000423173367 411236546 /nfs/dbraw/zinc/23/65/46/411236546.db2.gz YEEMYKQECSWNLP-KGLIPLIRSA-N 3 0 241.423 1.825 20 0 BDADRP C[C@H]([NH2+][C@@H](CO)C1CCC1)C1CC[NH+](C)CC1 ZINC000658087047 411237101 /nfs/dbraw/zinc/23/71/01/411237101.db2.gz HBDFUHXJTUBWLY-FZMZJTMJSA-N 2 0 240.391 1.467 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@@H](CO)C2CCC2)CC1 ZINC000658086997 411237452 /nfs/dbraw/zinc/23/74/52/411237452.db2.gz FXDBNAQCLUXCPZ-AWEZNQCLSA-N 2 0 240.391 1.610 20 0 BDADRP O[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CCC1 ZINC000400909982 411165611 /nfs/dbraw/zinc/16/56/11/411165611.db2.gz DZMSHMCSFJJKOI-REWJHTLYSA-N 2 0 238.375 1.125 20 0 BDADRP c1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)co1 ZINC000400947315 411165791 /nfs/dbraw/zinc/16/57/91/411165791.db2.gz DEIHEMLXYLGPTF-FRRDWIJNSA-N 2 0 220.316 1.757 20 0 BDADRP C1=CCN(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000400976504 411167257 /nfs/dbraw/zinc/16/72/57/411167257.db2.gz SAAGLUMVDZBHGE-QLFBSQMISA-N 2 0 249.402 1.226 20 0 BDADRP CC1(C)C[N@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000050952744 411269732 /nfs/dbraw/zinc/26/97/32/411269732.db2.gz OKYYWQDUGFJTGZ-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP CC(C)C[N@H+](C)CCCNC(=O)[C@@H]([NH3+])C(C)C ZINC000652558993 411271095 /nfs/dbraw/zinc/27/10/95/411271095.db2.gz IPXTXLOUUJXGHL-LBPRGKRZSA-N 2 0 243.395 1.064 20 0 BDADRP CC[N@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CCCOC1 ZINC000402606138 411272817 /nfs/dbraw/zinc/27/28/17/411272817.db2.gz ULYMXMXAHZFFPI-NEPJUHHUSA-N 2 0 212.337 1.097 20 0 BDADRP CO[C@@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000658170237 411280276 /nfs/dbraw/zinc/28/02/76/411280276.db2.gz SXJQCWPLRJPNCF-UMSGYPCISA-N 2 0 226.364 1.484 20 0 BDADRP C[NH2+]CCC1CC[NH+](C[C@@H]2CC[C@H](C)O2)CC1 ZINC000129385129 411280879 /nfs/dbraw/zinc/28/08/79/411280879.db2.gz CKXOZHFZKCAUAS-JSGCOSHPSA-N 2 0 240.391 1.875 20 0 BDADRP CC[NH2+]CC1CC[NH+](C[C@H]2CC[C@@H](C)O2)CC1 ZINC000129402684 411281773 /nfs/dbraw/zinc/28/17/73/411281773.db2.gz RESCQZBHBWTISC-TZMCWYRMSA-N 2 0 240.391 1.875 20 0 BDADRP C[N@H+](C[C@@H]1CC[NH2+]C1)C[C@@H]1CCCCO1 ZINC000051889630 411285113 /nfs/dbraw/zinc/28/51/13/411285113.db2.gz VDXNTTATJSUJCG-NEPJUHHUSA-N 2 0 212.337 1.097 20 0 BDADRP CC[C@@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000658189990 411285695 /nfs/dbraw/zinc/28/56/95/411285695.db2.gz BAIVNXGAASJQIW-LPWJVIDDSA-N 2 0 226.364 1.220 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]1[C@H](C)O ZINC000661764168 411308238 /nfs/dbraw/zinc/30/82/38/411308238.db2.gz AOMLAJRYSOJBCN-QWHCGFSZSA-N 2 0 228.380 1.564 20 0 BDADRP CC[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CCCOC1 ZINC000402782027 411316426 /nfs/dbraw/zinc/31/64/26/411316426.db2.gz OAQHUHWXUPYEMW-MCIONIFRSA-N 2 0 240.391 1.875 20 0 BDADRP COCC[C@@H](C)[NH2+]C[C@H]1CCN1C(C)(C)C ZINC000656677007 411323102 /nfs/dbraw/zinc/32/31/02/411323102.db2.gz RUTXOVWXMLROSN-VXGBXAGGSA-N 2 0 228.380 1.874 20 0 BDADRP CC[C@@H](O)C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000062071273 411325994 /nfs/dbraw/zinc/32/59/94/411325994.db2.gz ZYHLZEHWFLKYGJ-NWDGAFQWSA-N 2 0 214.353 1.079 20 0 BDADRP CCn1cc(C[N@H+](CCC[NH3+])C(C)C)cn1 ZINC000050539169 411258803 /nfs/dbraw/zinc/25/88/03/411258803.db2.gz AUKNQUYYZNJQIV-UHFFFAOYSA-N 2 0 224.352 1.462 20 0 BDADRP CC[C@@H]1CO[C@@H](CC)C[N@@H+]1CCC[NH3+] ZINC000403734697 411357175 /nfs/dbraw/zinc/35/71/75/411357175.db2.gz IIKMAPYMEVWNMT-MNOVXSKESA-N 2 0 200.326 1.225 20 0 BDADRP CC[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)[C@H](CC)CO1 ZINC000403877485 411363016 /nfs/dbraw/zinc/36/30/16/411363016.db2.gz SXXCHGRHIGQUGH-BFHYXJOUSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)([NH3+])CNCc1ccc2c(c1)C[NH2+]CC2 ZINC000656785448 411364876 /nfs/dbraw/zinc/36/48/76/411364876.db2.gz HRJGNCRHZDYPMB-UHFFFAOYSA-N 2 0 233.359 1.159 20 0 BDADRP Nc1cccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000656786016 411364948 /nfs/dbraw/zinc/36/49/48/411364948.db2.gz SWSZYEHRYWABKJ-STQMWFEESA-N 2 0 219.332 1.628 20 0 BDADRP CC(C)([NH3+])CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656787052 411366070 /nfs/dbraw/zinc/36/60/70/411366070.db2.gz SFMQTNRGCZTGJP-CYBMUJFWSA-N 2 0 239.407 1.435 20 0 BDADRP [NH3+]C1(C[NH2+]CC[C@H]2CCOC2)CCCC1 ZINC000656789579 411369625 /nfs/dbraw/zinc/36/96/25/411369625.db2.gz RLPZZHHALDFXEQ-NSHDSACASA-N 2 0 212.337 1.274 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C1CCC(CO)CC1 ZINC000304562270 411372118 /nfs/dbraw/zinc/37/21/18/411372118.db2.gz GXMKXSXESSLCGA-PYNQCMFNSA-N 2 0 226.364 1.255 20 0 BDADRP Cc1cnccc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000129718728 411377406 /nfs/dbraw/zinc/37/74/06/411377406.db2.gz FNHGDTLTOXDEJC-LBPRGKRZSA-N 2 0 219.332 1.479 20 0 BDADRP [NH3+]C1(c2noc([C@@H]3C[C@]34CCC[NH2+]C4)n2)CCC1 ZINC000653490616 411381122 /nfs/dbraw/zinc/38/11/22/411381122.db2.gz PWBJLIIHHRVNGD-CABZTGNLSA-N 2 0 248.330 1.265 20 0 BDADRP CC1CC[NH+](CCC[NH2+]C2CCOCC2)CC1 ZINC000036304412 168179020 /nfs/dbraw/zinc/17/90/20/168179020.db2.gz APJVVRLZVZVNKZ-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP Cc1ncc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)n1C ZINC000657313376 411460601 /nfs/dbraw/zinc/46/06/01/411460601.db2.gz KVBSTYIUNZQZFJ-OLZOCXBDSA-N 2 0 248.374 1.445 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000070360485 411408535 /nfs/dbraw/zinc/40/85/35/411408535.db2.gz SRPGDTSUASHCSU-OLZOCXBDSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1C[N@H+](CCC[NH3+])CCc2ccccc21 ZINC000404831737 411408875 /nfs/dbraw/zinc/40/88/75/411408875.db2.gz YISMUUCLSIOICD-GFCCVEGCSA-N 2 0 218.344 1.997 20 0 BDADRP Cc1cnccc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000129863951 411409041 /nfs/dbraw/zinc/40/90/41/411409041.db2.gz NFZJKORRLHCAFE-LLVKDONJSA-N 2 0 205.305 1.171 20 0 BDADRP FC1(F)CC12CC[NH+](C[C@@H]1CC[NH2+]C1)CC2 ZINC000405058241 411415571 /nfs/dbraw/zinc/41/55/71/411415571.db2.gz MFZXKZOMLNALMP-SNVBAGLBSA-N 2 0 230.302 1.717 20 0 BDADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cn[nH]c2)C1 ZINC000657182815 411416574 /nfs/dbraw/zinc/41/65/74/411416574.db2.gz ATPHHTVWJXXHRX-NSHDSACASA-N 2 0 222.336 1.231 20 0 BDADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C2CSC2)C1 ZINC000657182663 411416857 /nfs/dbraw/zinc/41/68/57/411416857.db2.gz JHQKYSYMGCLYDW-JTQLQIEISA-N 2 0 214.378 1.423 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH2+]C(C(C)C)C(C)C ZINC000653608942 411433262 /nfs/dbraw/zinc/43/32/62/411433262.db2.gz OZRLSHGUMPYNAJ-LBPRGKRZSA-N 2 0 230.396 1.569 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@](C)(F)C2)CC[NH2+]1 ZINC000414755976 411443011 /nfs/dbraw/zinc/44/30/11/411443011.db2.gz IOJNFKVTLXEEGS-WOPDTQHZSA-N 2 0 214.328 1.808 20 0 BDADRP c1nc2n(c1C[NH2+]C1CCCC1)CCC2 ZINC000657286403 411445695 /nfs/dbraw/zinc/44/56/95/411445695.db2.gz NBPCPJVDTCIPRD-UHFFFAOYSA-N 2 0 205.305 1.862 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]CCC[NH+](C)C)CO1 ZINC000657287741 411446539 /nfs/dbraw/zinc/44/65/39/411446539.db2.gz ULFCVOJICMKKPX-WDEREUQCSA-N 2 0 200.326 1.095 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000414819046 411447161 /nfs/dbraw/zinc/44/71/61/411447161.db2.gz GLVXJWZLIAJNJY-SYQHCUMBSA-N 3 0 239.407 1.352 20 0 BDADRP C[C@H](CC[NH+](C)C)NCc1cnc2n1CCC2 ZINC000657335006 411472208 /nfs/dbraw/zinc/47/22/08/411472208.db2.gz JTKIYPLTSJNBDI-LLVKDONJSA-N 2 0 236.363 1.259 20 0 BDADRP CC[C@H]1C[C@H]([NH2+]CCC2CC[NH+](C)CC2)CO1 ZINC000657348345 411474949 /nfs/dbraw/zinc/47/49/49/411474949.db2.gz SGHKFCTUVFNCQN-KBPBESRZSA-N 2 0 240.391 1.875 20 0 BDADRP CC[NH+]1CCC(N(C)C[C@H]2CCC[NH2+]2)CC1 ZINC000042689535 169952476 /nfs/dbraw/zinc/95/24/76/169952476.db2.gz IUNAGNPRIORBFU-GFCCVEGCSA-N 2 0 225.380 1.155 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)CO1 ZINC000657427391 411503622 /nfs/dbraw/zinc/50/36/22/411503622.db2.gz MXPKQVXYEYEVGF-CHWSQXEVSA-N 2 0 224.348 1.405 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]CCCC[NH+](C)C)CCO1 ZINC000069890699 411505928 /nfs/dbraw/zinc/50/59/28/411505928.db2.gz JSRPAFZXEUBPCT-CHWSQXEVSA-N 2 0 228.380 1.875 20 0 BDADRP CN(C)C1(C[NH2+]Cc2cnc3n2CCC3)CCC1 ZINC000657442393 411511347 /nfs/dbraw/zinc/51/13/47/411511347.db2.gz CEXWVFSZIKDWBH-UHFFFAOYSA-N 2 0 248.374 1.403 20 0 BDADRP COCC(C)(C)C[NH2+]C1CC([NH+](C)C)C1 ZINC000655792373 411514686 /nfs/dbraw/zinc/51/46/86/411514686.db2.gz HJRXTGVANWVION-UHFFFAOYSA-N 2 0 214.353 1.341 20 0 BDADRP Cc1cc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)no1 ZINC000655804008 411519069 /nfs/dbraw/zinc/51/90/69/411519069.db2.gz LUQWTQGHVMCTJZ-UTUOFQBUSA-N 2 0 237.347 1.974 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]1CCOC1 ZINC000655805880 411520263 /nfs/dbraw/zinc/52/02/63/411520263.db2.gz MRRQPKFHFJPWSO-ZDEQEGDKSA-N 2 0 226.364 1.341 20 0 BDADRP C[C@@H](Cn1cccn1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805706 411520270 /nfs/dbraw/zinc/52/02/70/411520270.db2.gz RIYWSEQKYMYNSK-RWMBFGLXSA-N 2 0 236.363 1.201 20 0 BDADRP COCC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000655817699 411527933 /nfs/dbraw/zinc/52/79/33/411527933.db2.gz ODAFBAYGPCGBAQ-OLZOCXBDSA-N 2 0 238.375 1.629 20 0 BDADRP COC1(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CCCC1 ZINC000655826527 411529678 /nfs/dbraw/zinc/52/96/78/411529678.db2.gz HHQDKESTSDANQT-BETUJISGSA-N 2 0 240.391 1.875 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+]CC2(SC)CC2)C1 ZINC000336707060 170007706 /nfs/dbraw/zinc/00/77/06/170007706.db2.gz RPRVFHYHXXNLFY-NSHDSACASA-N 2 0 228.405 1.813 20 0 BDADRP C1CCN2CCC[C@H]([NH2+][C@@H]3CCCOC3)[C@H]2C1 ZINC000655849470 411538364 /nfs/dbraw/zinc/53/83/64/411538364.db2.gz VNGCUWGCLYONND-HZSPNIEDSA-N 2 0 238.375 1.772 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccncc2C)C1 ZINC000296226892 170017343 /nfs/dbraw/zinc/01/73/43/170017343.db2.gz CCKRUXKDIKBHTO-CYBMUJFWSA-N 2 0 233.359 1.821 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](C)O)[C@H](C)C1 ZINC000336693996 170018939 /nfs/dbraw/zinc/01/89/39/170018939.db2.gz SYKDGORQPBJIEC-UTUOFQBUSA-N 2 0 214.353 1.029 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](C)OC)C[C@H]1C ZINC000336673351 170019048 /nfs/dbraw/zinc/01/90/48/170019048.db2.gz KQHVNGLAHBKBSI-AGIUHOORSA-N 2 0 228.380 1.826 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(C)(C)O)C[C@@H]1C ZINC000360453864 170019896 /nfs/dbraw/zinc/01/98/96/170019896.db2.gz GWXFADIKJIWVRU-STQMWFEESA-N 2 0 242.407 1.952 20 0 BDADRP CC[N@@H+]1CC[C@H](N[C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000336885760 170021857 /nfs/dbraw/zinc/02/18/57/170021857.db2.gz AWSZURGFQSPAHL-AGIUHOORSA-N 2 0 225.380 1.010 20 0 BDADRP C[NH+]1CCC(NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000657523960 411540477 /nfs/dbraw/zinc/54/04/77/411540477.db2.gz MMCJZPOTIHPLQN-ZDUSSCGKSA-N 2 0 239.407 1.543 20 0 BDADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@H](C)CC[NH+](C)C)C1 ZINC000309958788 170039262 /nfs/dbraw/zinc/03/92/62/170039262.db2.gz JYJUHKZTQMTMRO-YNEHKIRRSA-N 2 0 227.396 1.256 20 0 BDADRP CCOC(C)(C)C[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000309050028 170313865 /nfs/dbraw/zinc/31/38/65/170313865.db2.gz QLXJAQSVAPVPLA-WDEREUQCSA-N 2 0 214.353 1.341 20 0 BDADRP CCOC1CC([NH2+]C[C@H](C)C[NH+]2CCCC2)C1 ZINC000124463881 170329458 /nfs/dbraw/zinc/32/94/58/170329458.db2.gz SNZNQMVEUDMVON-HSBZDZAISA-N 2 0 240.391 1.875 20 0 BDADRP CCOCCC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000121037108 170370505 /nfs/dbraw/zinc/37/05/05/170370505.db2.gz WYMZCKPLFQKSRX-ZDUSSCGKSA-N 2 0 228.380 1.687 20 0 BDADRP CCOCCC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357083403 170371647 /nfs/dbraw/zinc/37/16/47/170371647.db2.gz PEFAIZMPKNIXOC-AWEZNQCLSA-N 2 0 240.391 1.735 20 0 BDADRP COC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663345874 411634080 /nfs/dbraw/zinc/63/40/80/411634080.db2.gz NDQPFBGKYNVRGH-OCCSQVGLSA-N 2 0 240.391 1.733 20 0 BDADRP COCC[C@@H](C)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660657167 411614497 /nfs/dbraw/zinc/61/44/97/411614497.db2.gz OCFFLGQCTSENAS-ZIAGYGMSSA-N 2 0 240.391 1.829 20 0 BDADRP CC[C@@H](O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660660019 411614510 /nfs/dbraw/zinc/61/45/10/411614510.db2.gz SLEBMCJAUFAYRZ-CHWSQXEVSA-N 2 0 226.364 1.175 20 0 BDADRP CC[NH2+]Cc1cccc(NC[C@@]23C[C@@H]2C[NH2+]C3)c1 ZINC000663494068 411672614 /nfs/dbraw/zinc/67/26/14/411672614.db2.gz LUYRGPSIXCDIAT-HIFRSBDPSA-N 2 0 245.370 1.818 20 0 BDADRP COCC(C)(C)C[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000663502208 411685931 /nfs/dbraw/zinc/68/59/31/411685931.db2.gz FKJOMCZTSBHQPO-LLVKDONJSA-N 2 0 216.369 1.622 20 0 BDADRP c1cc2c(cc[nH+]c2N2CC[N@@H+]3CCC[C@@H]3C2)[nH]1 ZINC000663567340 411701380 /nfs/dbraw/zinc/70/13/80/411701380.db2.gz XXZGPTVQZKIVDJ-LLVKDONJSA-N 2 0 242.326 1.847 20 0 BDADRP CN(CC[C@@H]1CCC[N@@H+]1C)CC1=CCCOC1 ZINC000661653513 411830542 /nfs/dbraw/zinc/83/05/42/411830542.db2.gz LBPXSGJIBJUTLQ-AWEZNQCLSA-N 2 0 238.375 1.749 20 0 BDADRP CCC[C@@H](C)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662151736 412008530 /nfs/dbraw/zinc/00/85/30/412008530.db2.gz JWZXLWYWXYJAMT-TZMCWYRMSA-N 2 0 240.391 1.706 20 0 BDADRP CCC[N@H+](C)CC(C)(C)NC(=O)[C@H](C)C[NH2+]C ZINC000664719417 412014312 /nfs/dbraw/zinc/01/43/12/412014312.db2.gz RAYMJQDAHMAPMN-LLVKDONJSA-N 2 0 243.395 1.079 20 0 BDADRP C[C@@H]1C[NH2+]CCN1Cc1cccc2c1CC[NH2+]C2 ZINC000662242734 412037217 /nfs/dbraw/zinc/03/72/17/412037217.db2.gz HUBINRRRNBVJBJ-GFCCVEGCSA-N 2 0 245.370 1.126 20 0 BDADRP C[NH2+]CC1CC[NH+](C[C@@H](OC)C2CCC2)CC1 ZINC000662244023 412038577 /nfs/dbraw/zinc/03/85/77/412038577.db2.gz AFPDESUZZXRJJT-CQSZACIVSA-N 2 0 240.391 1.733 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@H](OC)C2CCC2)CC[C@@H]1[NH3+] ZINC000662270441 412059520 /nfs/dbraw/zinc/05/95/20/412059520.db2.gz KTWIITSETNQHAL-XBFCOCLRSA-N 2 0 240.391 1.861 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000662243931 412039682 /nfs/dbraw/zinc/03/96/82/412039682.db2.gz DINHJWUPBZSFKB-HBNTYKKESA-N 2 0 248.317 1.470 20 0 BDADRP C[N@H+](CCC[NH3+])Cc1cccc2c1CC[NH2+]C2 ZINC000662247413 412045004 /nfs/dbraw/zinc/04/50/04/412045004.db2.gz XUMSJBABCGRYQL-UHFFFAOYSA-N 3 0 233.359 1.113 20 0 BDADRP CC(C)N(Cc1ccccn1)C[C@@H]1C[NH2+]CCO1 ZINC000662261149 412052922 /nfs/dbraw/zinc/05/29/22/412052922.db2.gz WDQUGURATGMKIM-AWEZNQCLSA-N 2 0 249.358 1.280 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)[C@H]1C ZINC000662259152 412052955 /nfs/dbraw/zinc/05/29/55/412052955.db2.gz RBOKMRDZMSYQNP-GRYCIOLGSA-N 2 0 224.348 1.238 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCO[C@H]1CC1(F)F ZINC000662264322 412056243 /nfs/dbraw/zinc/05/62/43/412056243.db2.gz ILDVDOVSIWGQNW-BBBLOLIVSA-N 2 0 234.290 1.080 20 0 BDADRP CC[C@@H]1CO[C@H](C)CN1CCC[NH2+]C ZINC000042451690 171111999 /nfs/dbraw/zinc/11/19/99/171111999.db2.gz TUNJMUOUHQACHA-GHMZBOCLSA-N 2 0 200.326 1.095 20 0 BDADRP CC(C)=CCC[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000662272893 412064893 /nfs/dbraw/zinc/06/48/93/412064893.db2.gz KFYMGSMIUMRETI-CQSZACIVSA-N 2 0 237.391 1.322 20 0 BDADRP CC[C@@H]1C[C@@H](C)C[N@@H+]1C[C@H](O)CN(C)C1CC1 ZINC000310523223 171117330 /nfs/dbraw/zinc/11/73/30/171117330.db2.gz VEMJETIDHNIXOD-YRGRVCCFSA-N 2 0 240.391 1.562 20 0 BDADRP C[NH2+]CCCN(C)Cc1cccc2c1CC[NH2+]C2 ZINC000662280643 412071591 /nfs/dbraw/zinc/07/15/91/412071591.db2.gz GICATWRMXKUEMM-UHFFFAOYSA-N 2 0 247.386 1.374 20 0 BDADRP [NH3+]CCC1CC[NH+](CCO[C@H]2CC2(F)F)CC1 ZINC000662285171 412077859 /nfs/dbraw/zinc/07/78/59/412077859.db2.gz YNFCHBNDSQVHCK-NSHDSACASA-N 2 0 248.317 1.471 20 0 BDADRP CC(C)=CCC[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662285068 412077367 /nfs/dbraw/zinc/07/73/67/412077367.db2.gz VZDBPXDXNXFITR-UHFFFAOYSA-N 2 0 212.337 1.047 20 0 BDADRP CC[C@@]1(C)COCCN1CC[C@@H]1CCC[N@@H+]1C ZINC000336717593 171204050 /nfs/dbraw/zinc/20/40/50/171204050.db2.gz WLUQYNYTNDAWJK-KBPBESRZSA-N 2 0 240.391 1.972 20 0 BDADRP CC[C@@H]1[C@@H](C)CC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662282241 412072300 /nfs/dbraw/zinc/07/23/00/412072300.db2.gz OAWPCGJAIZOSFB-RWMBFGLXSA-N 2 0 238.375 1.628 20 0 BDADRP CCC(C)(C)CC[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662283742 412074234 /nfs/dbraw/zinc/07/42/34/412074234.db2.gz KBVUKDOQOLXDJF-UHFFFAOYSA-N 2 0 228.380 1.517 20 0 BDADRP C[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)[C@H]1CCO ZINC000662302862 412084213 /nfs/dbraw/zinc/08/42/13/412084213.db2.gz OOXGVBJLEGGRDF-UPJWGTAASA-N 2 0 226.364 1.079 20 0 BDADRP Cc1nocc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000662284987 412078614 /nfs/dbraw/zinc/07/86/14/412078614.db2.gz SYJGNQJTPAXPBO-UHFFFAOYSA-N 2 0 223.320 1.544 20 0 BDADRP CC[C@H](C)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000124479303 171340148 /nfs/dbraw/zinc/34/01/48/171340148.db2.gz RYRPLDXNMFBOHJ-ZDUSSCGKSA-N 2 0 241.423 1.648 20 0 BDADRP CC[C@H](C)[NH2+]CCCN1CCCO[C@H](C)C1 ZINC000310011122 171340203 /nfs/dbraw/zinc/34/02/03/171340203.db2.gz IPBZYIDMVZDTHL-QWHCGFSZSA-N 2 0 228.380 1.875 20 0 BDADRP CC[C@H](C)[NH2+]C[C@@H]1CCC[C@@H]1N1CCOCC1 ZINC000363786604 171340971 /nfs/dbraw/zinc/34/09/71/171340971.db2.gz VDYWZVOZVSEDBW-IHRRRGAJSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H](N)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294690 412080917 /nfs/dbraw/zinc/08/09/17/412080917.db2.gz RVWOFMLASURNBT-DGCLKSJQSA-N 2 0 225.380 1.045 20 0 BDADRP [NH3+][C@H]1CCc2ccccc2N(C[C@H]2CC[NH2+]C2)C1 ZINC000662301544 412085736 /nfs/dbraw/zinc/08/57/36/412085736.db2.gz HFXBUGGJVCCZOR-JSGCOSHPSA-N 2 0 245.370 1.376 20 0 BDADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000262585035 171395637 /nfs/dbraw/zinc/39/56/37/171395637.db2.gz NYFRDJZARYBBCB-UHTWSYAYSA-N 2 0 249.358 1.176 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCC[C@H](C)[C@@H]1CCO ZINC000662303109 412086765 /nfs/dbraw/zinc/08/67/65/412086765.db2.gz SPXMLBWJDPVAKO-RYUDHWBXSA-N 2 0 214.353 1.079 20 0 BDADRP Cc1ccc2c(c1)C[N@@H+](C[C@H]1CC[NH2+]C1)CC2 ZINC000662299070 412087429 /nfs/dbraw/zinc/08/74/29/412087429.db2.gz JSPCUELDINTLIL-ZDUSSCGKSA-N 2 0 230.355 1.963 20 0 BDADRP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(C2CCC2)CC1 ZINC000662299463 412087655 /nfs/dbraw/zinc/08/76/55/412087655.db2.gz QGHOKMAAUMZPOQ-CQSZACIVSA-N 2 0 240.391 1.469 20 0 BDADRP [NH3+]CCCN1c2ccccc2CC[C@H]1C[NH3+] ZINC000662305177 412091049 /nfs/dbraw/zinc/09/10/49/412091049.db2.gz PPHHPBJAIADGCT-LBPRGKRZSA-N 2 0 219.332 1.115 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000662312533 412094549 /nfs/dbraw/zinc/09/45/49/412094549.db2.gz HQUNDULDBXLKRD-KGLIPLIRSA-N 2 0 240.391 1.877 20 0 BDADRP CCOCC[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662317113 412094579 /nfs/dbraw/zinc/09/45/79/412094579.db2.gz ZQIDPSZHPROIAC-CHWSQXEVSA-N 2 0 228.380 1.862 20 0 BDADRP C(C[N@@H+]1CC[C@H]2COC[C@H]2C1)C1CC[NH2+]CC1 ZINC000662317420 412097799 /nfs/dbraw/zinc/09/77/99/412097799.db2.gz OVJQMGNGAFCAOC-UONOGXRCSA-N 2 0 238.375 1.344 20 0 BDADRP C(C[N@@H+]1CC[C@H]2COC[C@@H]2C1)C1CC[NH2+]CC1 ZINC000662317418 412098158 /nfs/dbraw/zinc/09/81/58/412098158.db2.gz OVJQMGNGAFCAOC-KBPBESRZSA-N 2 0 238.375 1.344 20 0 BDADRP CC(C)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319927 412101251 /nfs/dbraw/zinc/10/12/51/412101251.db2.gz QSWXCPJDBLBMOX-GFCCVEGCSA-N 2 0 214.353 1.437 20 0 BDADRP C[N@H+](C[C@H]1CC1(C)C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662331615 412104275 /nfs/dbraw/zinc/10/42/75/412104275.db2.gz OIWXLXVEWLWTNK-NEPJUHHUSA-N 2 0 238.375 1.485 20 0 BDADRP C[N@@H+](CC1=CCSC1)C[C@H]1CC[NH2+]C1 ZINC000662327718 412105095 /nfs/dbraw/zinc/10/50/95/412105095.db2.gz UHIYGSYIWLOEPN-JTQLQIEISA-N 2 0 212.362 1.201 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCCO1 ZINC000665236944 412175710 /nfs/dbraw/zinc/17/57/10/412175710.db2.gz WXQAPKIGNZUZBM-SRVKXCTJSA-N 2 0 212.337 1.143 20 0 BDADRP CC[C@H](COCC1CC1)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000665236060 412177134 /nfs/dbraw/zinc/17/71/34/412177134.db2.gz GKGRIOWAXINQQC-ZWNOBZJWSA-N 2 0 226.364 1.389 20 0 BDADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C/C=C/CO ZINC000665239143 412180440 /nfs/dbraw/zinc/18/04/40/412180440.db2.gz MWKWKMWSWOPRKU-HMDXOVGESA-N 2 0 235.331 1.048 20 0 BDADRP Cc1ccncc1CC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000665239617 412180739 /nfs/dbraw/zinc/18/07/39/412180739.db2.gz WAABFBOXAZDVAD-JSGCOSHPSA-N 2 0 233.359 1.650 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCO[C@@H]1CC1(F)F ZINC000665244657 412189675 /nfs/dbraw/zinc/18/96/75/412189675.db2.gz SORPDPSRNZCUCT-OUAUKWLOSA-N 2 0 248.317 1.388 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1NCC1([NH3+])CCCC1 ZINC000665247073 412190833 /nfs/dbraw/zinc/19/08/33/412190833.db2.gz VHFIOSZSSBYSFE-NEPJUHHUSA-N 2 0 225.380 1.365 20 0 BDADRP CO[C@H](C)C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000665246012 412191746 /nfs/dbraw/zinc/19/17/46/412191746.db2.gz WUDHIAGOWDTOOS-ZJUUUORDSA-N 2 0 237.347 1.534 20 0 BDADRP C[C@@H]([NH2+]CC1([NH3+])CCCC1)[C@H]1CCCOC1 ZINC000665247714 412193399 /nfs/dbraw/zinc/19/33/99/412193399.db2.gz IRSODMCOVWUMKT-NEPJUHHUSA-N 2 0 226.364 1.663 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCc2ccoc2)C1 ZINC000665263034 412205376 /nfs/dbraw/zinc/20/53/76/412205376.db2.gz DYSCCHFNNDZACW-NEPJUHHUSA-N 2 0 208.305 1.682 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CCC[C@H]2[NH3+])CC1(F)F ZINC000665265544 412208419 /nfs/dbraw/zinc/20/84/19/412208419.db2.gz XYJFVEZHJRMXKH-IWSPIJDZSA-N 2 0 204.264 1.501 20 0 BDADRP COC1CC(CC[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000665230104 412168614 /nfs/dbraw/zinc/16/86/14/412168614.db2.gz JOMURBHTJVTBIL-XVSSEFHLSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H](C)c1ccccn1 ZINC000665231904 412170612 /nfs/dbraw/zinc/17/06/12/412170612.db2.gz APUVOTJWJCCMNE-SDDRHHMPSA-N 2 0 221.348 1.901 20 0 BDADRP Nc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000665233327 412171645 /nfs/dbraw/zinc/17/16/45/412171645.db2.gz DYIXRFMQGHXLDD-CABCVRRESA-N 2 0 245.370 1.985 20 0 BDADRP CO[C@H](C[NH2+][C@@H](C)CCCC[NH3+])[C@@H]1CCOC1 ZINC000665234428 412174517 /nfs/dbraw/zinc/17/45/17/412174517.db2.gz CPZLUMLRNMLUOI-YNEHKIRRSA-N 2 0 244.379 1.145 20 0 BDADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1=CCCC1 ZINC000665274876 412216855 /nfs/dbraw/zinc/21/68/55/412216855.db2.gz ZVRJHZYWNRTXNV-UHTWSYAYSA-N 2 0 224.348 1.439 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])C1CCCC1 ZINC000665275273 412218606 /nfs/dbraw/zinc/21/86/06/412218606.db2.gz GLCOPAVVXMGGQT-MELADBBJSA-N 2 0 240.391 1.909 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)C[NH2+]C(C)C)c1 ZINC000662579275 412227703 /nfs/dbraw/zinc/22/77/03/412227703.db2.gz PGZXPNVAYPQCDL-UHFFFAOYSA-N 2 0 235.331 1.390 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000665282238 412227920 /nfs/dbraw/zinc/22/79/20/412227920.db2.gz UFMGDXNWVMNSDO-JHJVBQTASA-N 2 0 227.396 1.480 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCOCCF ZINC000665298998 412248638 /nfs/dbraw/zinc/24/86/38/412248638.db2.gz DQCGHZDQONEKSB-WDEREUQCSA-N 2 0 218.316 1.080 20 0 BDADRP C[C@H](CCNC(=O)C1([NH3+])CCCCC1)[NH+](C)C ZINC000662857373 412326276 /nfs/dbraw/zinc/32/62/76/412326276.db2.gz ANVBNNNLORKOEZ-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP C[NH2+]C[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000662966127 412358069 /nfs/dbraw/zinc/35/80/69/412358069.db2.gz PVMSDAOHOPOFCI-NSHDSACASA-N 2 0 249.358 1.086 20 0 BDADRP Nc1ncnc(NC[C@@H]2CCC[NH2+]C2)c1Cl ZINC000519635947 412303740 /nfs/dbraw/zinc/30/37/40/412303740.db2.gz ZVIBFGJEZHWSFU-SSDOTTSWSA-N 2 0 241.726 1.124 20 0 BDADRP CCn1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cn1 ZINC000126963916 172167498 /nfs/dbraw/zinc/16/74/98/172167498.db2.gz GDPNKRQUGJPDFD-WDEREUQCSA-N 2 0 222.336 1.072 20 0 BDADRP CCn1cccc(C[NH2+]C2CCN(C)CC2)c1=O ZINC000341375055 172201504 /nfs/dbraw/zinc/20/15/04/172201504.db2.gz PSICEOOZPSHFHD-UHFFFAOYSA-N 2 0 249.358 1.052 20 0 BDADRP CCn1nccc1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000125211318 172272914 /nfs/dbraw/zinc/27/29/14/172272914.db2.gz ZORAMAVTCSFMMC-QWHCGFSZSA-N 2 0 248.374 1.619 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@H](CO)c2ccccc2)CC1 ZINC000063000511 172986390 /nfs/dbraw/zinc/98/63/90/172986390.db2.gz HIBFBANYTUNNOV-HNNXBMFYSA-N 2 0 248.370 1.651 20 0 BDADRP C[N@@H+]1CCCC[C@H]1CC[NH+](CCO)CC1CC1 ZINC000352492603 173006884 /nfs/dbraw/zinc/00/68/84/173006884.db2.gz ZZVPDMQRQXCCNK-AWEZNQCLSA-N 2 0 240.391 1.565 20 0 BDADRP CN1CCC[C@@H]([NH2+]CC2CCOCC2)C1 ZINC000052178621 173020189 /nfs/dbraw/zinc/02/01/89/173020189.db2.gz ZHGLJQJJOFNMAD-GFCCVEGCSA-N 2 0 212.337 1.097 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH2+]C1(CO)CCCC1 ZINC000309599330 173029138 /nfs/dbraw/zinc/02/91/38/173029138.db2.gz XFCSXOLUHVDJKP-GFCCVEGCSA-N 2 0 226.364 1.365 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCSC2)C1 ZINC000044535188 173041099 /nfs/dbraw/zinc/04/10/99/173041099.db2.gz FBGWNLBEMNYRJO-GHMZBOCLSA-N 2 0 214.378 1.423 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH2+]C2CCSCC2)C1 ZINC000044533415 173042261 /nfs/dbraw/zinc/04/22/61/173042261.db2.gz PWYHPMKGXGSZBP-LLVKDONJSA-N 2 0 228.405 1.813 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCC[C@@H]1CO ZINC000119138135 173050513 /nfs/dbraw/zinc/05/05/13/173050513.db2.gz JIMIIOMNKFYVJP-QWHCGFSZSA-N 2 0 226.364 1.318 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCC[C@H]1CO ZINC000336698534 173051106 /nfs/dbraw/zinc/05/11/06/173051106.db2.gz JIMIIOMNKFYVJP-STQMWFEESA-N 2 0 226.364 1.318 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CC2(C)COC2)[C@H]2CCC[C@H]21 ZINC000368617011 173152035 /nfs/dbraw/zinc/15/20/35/173152035.db2.gz VUAVEKQNAIITDW-FRRDWIJNSA-N 2 0 238.375 1.485 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)O)[C@H]2CCC[C@@H]21 ZINC000309485091 173153394 /nfs/dbraw/zinc/15/33/94/173153394.db2.gz VDIYMHOJTQHRFZ-WOPDTQHZSA-N 2 0 226.364 1.220 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCOC2)[C@H]2CCC[C@H]21 ZINC000353393274 173153564 /nfs/dbraw/zinc/15/35/64/173153564.db2.gz IMXIESDUTQLIEH-RFQIPJPRSA-N 2 0 238.375 1.485 20 0 BDADRP Cn1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cn1 ZINC000353401923 173155000 /nfs/dbraw/zinc/15/50/00/173155000.db2.gz IYQCVPNVWZMWSP-MELADBBJSA-N 2 0 248.374 1.383 20 0 BDADRP C[NH2+]C1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000234345798 173322656 /nfs/dbraw/zinc/32/26/56/173322656.db2.gz VZCFDYIBRYTTNI-LLVKDONJSA-N 2 0 212.337 1.097 20 0 BDADRP C[NH2+]CC(=O)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000281420920 173332438 /nfs/dbraw/zinc/33/24/38/173332438.db2.gz IBMFTWBDEUUDPP-UHFFFAOYSA-N 2 0 235.331 1.215 20 0 BDADRP C[NH2+]CCC[N@H+](C)CCC(=O)Nc1ccccc1 ZINC000124929468 173345734 /nfs/dbraw/zinc/34/57/34/173345734.db2.gz CLBAJXCBPHDGIG-UHFFFAOYSA-N 2 0 249.358 1.557 20 0 BDADRP C[NH2+]CCC[N@H+](C[C@@H](C)OC)C(C)C ZINC000336741687 173347129 /nfs/dbraw/zinc/34/71/29/173347129.db2.gz WABYANFHMUJVSA-LLVKDONJSA-N 2 0 202.342 1.341 20 0 BDADRP C[NH2+]CCC[NH2+]Cc1ccc(NC(C)=O)cc1 ZINC000083362618 173349276 /nfs/dbraw/zinc/34/92/76/173349276.db2.gz FEYDANTXEHGBTJ-UHFFFAOYSA-N 2 0 235.331 1.344 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](CC2CCOCC2)C1 ZINC000052174674 173368304 /nfs/dbraw/zinc/36/83/04/173368304.db2.gz XVDKDJBJRTZAHH-ZDUSSCGKSA-N 2 0 226.364 1.344 20 0 BDADRP C[NH2+]C[C@@H]1CCCN(C/C=C/Cl)C1 ZINC000040600062 173368329 /nfs/dbraw/zinc/36/83/29/173368329.db2.gz RTNJFTHSZKGNRS-GFAPAMAISA-N 2 0 202.729 1.670 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](CCCOC(C)C)C1 ZINC000011892066 173380882 /nfs/dbraw/zinc/38/08/82/173380882.db2.gz NAOQYRJSZIUHPC-GFCCVEGCSA-N 2 0 214.353 1.343 20 0 BDADRP CCCN1CC[C@@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000328187226 487627932 /nfs/dbraw/zinc/62/79/32/487627932.db2.gz OJFDQIZCGWTIQU-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP COC1CC[NH+](C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000234591778 174027786 /nfs/dbraw/zinc/02/77/86/174027786.db2.gz JDTLXNICTUXAOR-NEPJUHHUSA-N 2 0 226.364 1.485 20 0 BDADRP COCC(C)(C)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352541121 174069833 /nfs/dbraw/zinc/06/98/33/174069833.db2.gz UGVMOQMAEICCIK-CQSZACIVSA-N 2 0 240.391 1.735 20 0 BDADRP COCC(C)(C)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000309476963 174070069 /nfs/dbraw/zinc/07/00/69/174070069.db2.gz SCMGBWQLDAEDSY-UHFFFAOYSA-N 2 0 216.369 1.576 20 0 BDADRP COCC1(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)CCC1 ZINC000336724589 174105350 /nfs/dbraw/zinc/10/53/50/174105350.db2.gz UQMYYHYCEIGENW-CHWSQXEVSA-N 2 0 240.391 1.733 20 0 BDADRP COCCCCC[NH2+]CC1([NH3+])CCC1 ZINC000309101082 174182944 /nfs/dbraw/zinc/18/29/44/174182944.db2.gz FSPZMFSEWMTSIO-UHFFFAOYSA-N 2 0 200.326 1.274 20 0 BDADRP COCCCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000308803250 174194404 /nfs/dbraw/zinc/19/44/04/174194404.db2.gz ACJQSOBMDHXOIT-NEPJUHHUSA-N 2 0 212.337 1.097 20 0 BDADRP COCCC[C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C ZINC000336770048 174260473 /nfs/dbraw/zinc/26/04/73/174260473.db2.gz VIBMUYSHJNHOSK-NWDGAFQWSA-N 2 0 216.369 1.589 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000336778276 174275437 /nfs/dbraw/zinc/27/54/37/174275437.db2.gz KXPJTFWTUYGRGX-FRRDWIJNSA-N 2 0 228.380 1.589 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@H](C)C(C)(C)OC ZINC000340469769 174276212 /nfs/dbraw/zinc/27/62/12/174276212.db2.gz LJLFIIDRJQQZDQ-GFCCVEGCSA-N 2 0 246.395 1.358 20 0 BDADRP COC[C@@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000309456229 174457147 /nfs/dbraw/zinc/45/71/47/174457147.db2.gz MNEONOGUJMAVGF-LLVKDONJSA-N 2 0 226.364 1.485 20 0 BDADRP COC[C@H](C)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000336687082 174533238 /nfs/dbraw/zinc/53/32/38/174533238.db2.gz MGUYWRPVPIIJIT-MNOVXSKESA-N 2 0 202.342 1.376 20 0 BDADRP CO[C@@H]1CC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000336672911 174763748 /nfs/dbraw/zinc/76/37/48/174763748.db2.gz GRAAHXJAGRGING-QJPTWQEYSA-N 2 0 214.353 1.661 20 0 BDADRP COc1ccc(CC[N@H+](C)CCC[NH3+])cc1 ZINC000049819003 175089627 /nfs/dbraw/zinc/08/96/27/175089627.db2.gz OMVNYIICFWOSCD-UHFFFAOYSA-N 2 0 222.332 1.518 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CCCCO1 ZINC000308869925 175663544 /nfs/dbraw/zinc/66/35/44/175663544.db2.gz RYNRIPLAKGFPST-NWDGAFQWSA-N 2 0 214.353 1.663 20 0 BDADRP C[C@H](C[NH3+])N[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000332002853 175766380 /nfs/dbraw/zinc/76/63/80/175766380.db2.gz OUNVJDGSQYMXES-TUAOUCFPSA-N 2 0 213.369 1.234 20 0 BDADRP C[C@@H]1CCCC[C@@H]1[N@H+](C)CCN1CC[NH2+]CC1 ZINC000042610965 176078701 /nfs/dbraw/zinc/07/87/01/176078701.db2.gz POBIOXPYGQSZDP-KGLIPLIRSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)[C@@H]1CO ZINC000305705669 176098319 /nfs/dbraw/zinc/09/83/19/176098319.db2.gz YEKXBHLNCLOALY-HZSPNIEDSA-N 2 0 240.391 1.564 20 0 BDADRP C[C@@H]1CCC[C@@H](CN2CCO[C@@H](C[NH3+])C2)C1 ZINC000228998836 176117850 /nfs/dbraw/zinc/11/78/50/176117850.db2.gz DLNOHWQLVPKSQA-UPJWGTAASA-N 2 0 226.364 1.472 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000121974996 176213557 /nfs/dbraw/zinc/21/35/57/176213557.db2.gz VFSPIWKNFLVYHI-UPJWGTAASA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H](O)CC(C)(C)C ZINC000361526003 176268380 /nfs/dbraw/zinc/26/83/80/176268380.db2.gz OTHKSSYUBNBKJQ-UPJWGTAASA-N 2 0 242.407 1.713 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@]1(C)CCOC1 ZINC000336777255 176270351 /nfs/dbraw/zinc/27/03/51/176270351.db2.gz HUUICFRUQUERKZ-JHJVBQTASA-N 2 0 226.364 1.343 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@@H](C1CC1)[NH+](C)C ZINC000360417904 176270519 /nfs/dbraw/zinc/27/05/19/176270519.db2.gz VWHCZMKWABGXSK-BNOWGMLFSA-N 2 0 239.407 1.256 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCCF ZINC000336685822 176270711 /nfs/dbraw/zinc/27/07/11/176270711.db2.gz LDERBPSCLZKDIB-GHMZBOCLSA-N 2 0 202.317 1.666 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@](C)(O)C1CC1 ZINC000309829444 176271000 /nfs/dbraw/zinc/27/10/00/176271000.db2.gz YDRFRUJSRMMOSU-RTXFEEFZSA-N 2 0 226.364 1.077 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCOC(F)F ZINC000309806506 176271064 /nfs/dbraw/zinc/27/10/64/176271064.db2.gz SGPUECNGKOBGKM-NXEZZACHSA-N 2 0 236.306 1.546 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccn(C)c1 ZINC000158511500 176277978 /nfs/dbraw/zinc/27/79/78/176277978.db2.gz ZFCBOZLCYLJTHN-BZPMIXESSA-N 2 0 235.375 1.843 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](O)C(C)(C)C ZINC000305159225 176278110 /nfs/dbraw/zinc/27/81/10/176278110.db2.gz WOIXXHIVVGLFBR-NDBYEHHHSA-N 2 0 242.407 1.712 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CCC(O)CC1 ZINC000036907809 176278627 /nfs/dbraw/zinc/27/86/27/176278627.db2.gz UWRPUIFLBSUQPP-AYZDXNEBSA-N 2 0 240.391 1.608 20 0 BDADRP C[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)C(C)(C)C1 ZINC000335664914 176290444 /nfs/dbraw/zinc/29/04/44/176290444.db2.gz YJQSGKLKLQAZFY-LBPRGKRZSA-N 2 0 225.380 1.012 20 0 BDADRP C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000304370210 176354215 /nfs/dbraw/zinc/35/42/15/176354215.db2.gz FVGHEBHJPFAQHY-LPWJVIDDSA-N 2 0 240.416 1.954 20 0 BDADRP C[C@@H]1C[C@@H](C)C[NH+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000062910921 176362214 /nfs/dbraw/zinc/36/22/14/176362214.db2.gz VBRYHUGSDUOQLK-JHJVBQTASA-N 2 0 210.365 1.964 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc2c(c1)CCO2 ZINC000216070151 176367896 /nfs/dbraw/zinc/36/78/96/176367896.db2.gz LBUWMSSAESGWPW-YPMHNXCESA-N 2 0 246.354 1.791 20 0 BDADRP C[C@@H]1C[C@@H](C[N@H+](C)C[C@@H]2CCCCO2)CC[NH2+]1 ZINC000235379293 176368332 /nfs/dbraw/zinc/36/83/32/176368332.db2.gz OMLAMBOTMLBEOH-RDBSUJKOSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCCCF)CC[N@@H+]1C ZINC000308475505 176375418 /nfs/dbraw/zinc/37/54/18/176375418.db2.gz DLVXOFQHSJFKII-MNOVXSKESA-N 2 0 202.317 1.808 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCc1cccnc1 ZINC000309262578 176618314 /nfs/dbraw/zinc/61/83/14/176618314.db2.gz QNALLQNKXJGPKR-GFCCVEGCSA-N 2 0 221.348 1.731 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCSC1 ZINC000308643333 176618793 /nfs/dbraw/zinc/61/87/93/176618793.db2.gz FHKNBTYLAFCHPO-MNOVXSKESA-N 2 0 216.394 1.847 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H](CO)Cc1ccccc1 ZINC000310166608 176620938 /nfs/dbraw/zinc/62/09/38/176620938.db2.gz RYHOURTXXYBSPX-OCCSQVGLSA-N 2 0 236.359 1.307 20 0 BDADRP C[C@H](C[NH3+])N[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000332002848 176662195 /nfs/dbraw/zinc/66/21/95/176662195.db2.gz OUNVJDGSQYMXES-IJLUTSLNSA-N 2 0 213.369 1.234 20 0 BDADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccco1 ZINC000268953785 176836987 /nfs/dbraw/zinc/83/69/87/176836987.db2.gz CVKLPJJDELJCHQ-NSHDSACASA-N 2 0 238.331 1.387 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)C1CCOCC1 ZINC000309434070 176909960 /nfs/dbraw/zinc/90/99/60/176909960.db2.gz YBLMOGMSLGKHNR-NEPJUHHUSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@H](O)[C@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000305823735 177014674 /nfs/dbraw/zinc/01/46/74/177014674.db2.gz RRZVZBUWHLZVDN-AVGNSLFASA-N 2 0 226.364 1.173 20 0 BDADRP C[C@H]1CC([NH2+]CCC[NH+](C)C)C[C@H](C)O1 ZINC000096033719 177065580 /nfs/dbraw/zinc/06/55/80/177065580.db2.gz WKXLCKVBXOXOFZ-QWRGUYRKSA-N 2 0 214.353 1.484 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1=CCCOC1 ZINC000335606860 177233757 /nfs/dbraw/zinc/23/37/57/177233757.db2.gz YWAQYMGCMNPTKH-WCQYABFASA-N 2 0 224.348 1.263 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000309775165 177233788 /nfs/dbraw/zinc/23/37/88/177233788.db2.gz LNBQMGYWEPZYHX-GXSJLCMTSA-N 2 0 232.318 1.962 20 0 BDADRP C[C@H]1C[N@H+](CCC2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000223217528 177246964 /nfs/dbraw/zinc/24/69/64/177246964.db2.gz NQPUKESXVSIXMQ-RYUDHWBXSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H]1C[N@H+](CCC[NH+]2CCCCC2)C[C@H]1CO ZINC000362073476 177249437 /nfs/dbraw/zinc/24/94/37/177249437.db2.gz WYAHLRMOTRRBFA-KBPBESRZSA-N 2 0 240.391 1.423 20 0 BDADRP C[C@H]1C[N@H+](CCC[NH+]2CCCCC2)C[C@@H]1CO ZINC000362073477 177249880 /nfs/dbraw/zinc/24/98/80/177249880.db2.gz WYAHLRMOTRRBFA-UONOGXRCSA-N 2 0 240.391 1.423 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@@H](C)C2)CC[NH2+]1 ZINC000235368895 177257366 /nfs/dbraw/zinc/25/73/66/177257366.db2.gz MCHVJSQFGCFSFL-GRYCIOLGSA-N 2 0 212.337 1.095 20 0 BDADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCOc1ccccc1 ZINC000132407303 177324933 /nfs/dbraw/zinc/32/49/33/177324933.db2.gz QSOBLXHFWHDKKA-STQMWFEESA-N 2 0 234.343 1.735 20 0 BDADRP C[C@H]1C[C@@H](N(C)Cc2cccn2C)CC[N@@H+]1C ZINC000093644984 177326539 /nfs/dbraw/zinc/32/65/39/177326539.db2.gz OXZREWARIPNRNU-STQMWFEESA-N 2 0 235.375 1.940 20 0 BDADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCc1ccccc1 ZINC000122371795 177361353 /nfs/dbraw/zinc/36/13/53/177361353.db2.gz RVXGLJDHMBPUSE-GXTWGEPZSA-N 2 0 218.344 1.898 20 0 BDADRP C[C@H]1C[C@H](C[N@H+](C)CCOCC2CC2)CC[NH2+]1 ZINC000235723657 177361918 /nfs/dbraw/zinc/36/19/18/177361918.db2.gz BFNXLOKAPBPOMT-GXTWGEPZSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC2=CCCOC2)CC[N@@H+]1C ZINC000309660047 177368734 /nfs/dbraw/zinc/36/87/34/177368734.db2.gz ASCXPOCDAAOIFU-WCQYABFASA-N 2 0 224.348 1.405 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CCO1 ZINC000356677983 177370044 /nfs/dbraw/zinc/37/00/44/177370044.db2.gz DXJUJPGQRSFIOE-REWJHTLYSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@H]1C[C@H]([NH2+]Cc2cccc(CO)c2)CC[N@@H+]1C ZINC000177838723 177370705 /nfs/dbraw/zinc/37/07/05/177370705.db2.gz XBLBJAKMWWHMAG-SWLSCSKDSA-N 2 0 248.370 1.751 20 0 BDADRP C[C@H]1C[C@H]1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000309816882 177381596 /nfs/dbraw/zinc/38/15/96/177381596.db2.gz VKSMGEJZEVZHOV-STQMWFEESA-N 2 0 226.364 1.344 20 0 BDADRP Cc1c(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cnn1C ZINC000226305831 177593229 /nfs/dbraw/zinc/59/32/29/177593229.db2.gz JWERTSAQBZOYCD-WCQYABFASA-N 2 0 236.363 1.336 20 0 BDADRP COCC[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400391892 225149938 /nfs/dbraw/zinc/14/99/38/225149938.db2.gz NMUPEBJRPDIANY-HBNTYKKESA-N 2 0 200.326 1.142 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000486932686 225273999 /nfs/dbraw/zinc/27/39/99/225273999.db2.gz HHKXHKQTALDFGJ-OLZOCXBDSA-N 2 0 242.407 1.979 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCSC2)C1 ZINC000494934025 226271679 /nfs/dbraw/zinc/27/16/79/226271679.db2.gz UPDWJQDWFZOCKJ-RYUDHWBXSA-N 2 0 228.405 1.623 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCCSC1)[C@H]1CCC[NH2+]1 ZINC000400345730 226341260 /nfs/dbraw/zinc/34/12/60/226341260.db2.gz IVLLSZTVJVCXQI-QJPTWQEYSA-N 2 0 228.405 1.860 20 0 BDADRP C[C@@H](N[C@@H](C)c1cn[nH]c1)[C@@H]1CCC[NH2+]1 ZINC000400381308 226342532 /nfs/dbraw/zinc/34/25/32/226342532.db2.gz KIUFVYQYKOHKHX-NGZCFLSTSA-N 2 0 208.309 1.201 20 0 BDADRP C[C@@H]([NH2+]CC[C@H](C)CCO)[C@H]1CCC[NH2+]1 ZINC000400448324 226343630 /nfs/dbraw/zinc/34/36/30/226343630.db2.gz QDZDQDRXDVKLHR-QJPTWQEYSA-N 2 0 214.353 1.125 20 0 BDADRP C[C@H](N[C@@H]1CCO[C@@H]1C1CC1)[C@@H]1CCC[NH2+]1 ZINC000400748290 226351051 /nfs/dbraw/zinc/35/10/51/226351051.db2.gz UYTZWNWYQXJXSB-FTYKPCCVSA-N 2 0 224.348 1.284 20 0 BDADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCCc1cncn1C ZINC000314899756 487669861 /nfs/dbraw/zinc/66/98/61/487669861.db2.gz NFIBPAIYIDAVCX-RYUDHWBXSA-N 2 0 236.363 1.164 20 0 BDADRP Cn1cncc1CCC[NH+]1CCC(C[NH3+])CC1 ZINC000314925359 487670351 /nfs/dbraw/zinc/67/03/51/487670351.db2.gz PZFXIWJHWMYWKQ-UHFFFAOYSA-N 2 0 236.363 1.023 20 0 BDADRP CC[NH+](CC)CCCN[C@@H]1C[NH2+]C[C@H](C)C1 ZINC000401706984 487682481 /nfs/dbraw/zinc/68/24/81/487682481.db2.gz FJSPHDCGSTWPIY-OLZOCXBDSA-N 2 0 227.396 1.306 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCOC1)C1CC[NH+](C)CC1 ZINC000087783987 487684578 /nfs/dbraw/zinc/68/45/78/487684578.db2.gz PGXMRHMAFUXDLL-ZYHUDNBSSA-N 2 0 212.337 1.095 20 0 BDADRP Cc1cncc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000228620327 487693407 /nfs/dbraw/zinc/69/34/07/487693407.db2.gz AJRHQIUZUHXYNZ-ZDUSSCGKSA-N 2 0 233.359 1.951 20 0 BDADRP Cc1cncc(C[NH+]2CCC(CC[NH3+])CC2)c1 ZINC000228620434 487695263 /nfs/dbraw/zinc/69/52/63/487695263.db2.gz OHNJFJIKVGLBNU-UHFFFAOYSA-N 2 0 233.359 1.951 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCCOC2)CC[N@@H+]1C ZINC000527929299 262895581 /nfs/dbraw/zinc/89/55/81/262895581.db2.gz PKMASZMFVRPQQS-MCIONIFRSA-N 2 0 240.391 1.875 20 0 BDADRP CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1CCC[NH3+] ZINC000336713092 487719781 /nfs/dbraw/zinc/71/97/81/487719781.db2.gz VJBBGDVQFOVGDP-QMMMGPOBSA-N 2 0 224.270 1.998 20 0 BDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C1([NH3+])CCCC1 ZINC000226396660 487731228 /nfs/dbraw/zinc/73/12/28/487731228.db2.gz OYQRCCYSGFBSEF-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP C[N@H+](C[C@H]1CC[NH2+]C1)C[C@H]1CCCCO1 ZINC000250448886 487733290 /nfs/dbraw/zinc/73/32/90/487733290.db2.gz VDXNTTATJSUJCG-NWDGAFQWSA-N 2 0 212.337 1.097 20 0 BDADRP CC(C)(O)CC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000675500554 487742837 /nfs/dbraw/zinc/74/28/37/487742837.db2.gz XYFVMPTZGGTKAD-UHFFFAOYSA-N 2 0 249.358 1.365 20 0 BDADRP CN(CCC[NH+](C)C)Cc1cccn1C ZINC000675510181 487743919 /nfs/dbraw/zinc/74/39/19/487743919.db2.gz PHBXUSKAIHJONC-UHFFFAOYSA-N 2 0 209.337 1.409 20 0 BDADRP COC[C@H](C)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000251023864 487746632 /nfs/dbraw/zinc/74/66/32/487746632.db2.gz ZXOFPQQLHQYSMJ-YNEHKIRRSA-N 2 0 226.364 1.485 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]CCOCC[NH+](C)C)CCO1 ZINC000233928552 487752535 /nfs/dbraw/zinc/75/25/35/487752535.db2.gz QUUVMAAYDLIMHN-QWHCGFSZSA-N 2 0 244.379 1.112 20 0 BDADRP C[C@@H]1C[N@H+](CCOCc2ccccc2)CC[C@@H]1[NH3+] ZINC000309863602 487775714 /nfs/dbraw/zinc/77/57/14/487775714.db2.gz DVSONRLBXFMHHN-HIFRSBDPSA-N 2 0 248.370 1.872 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]C1CC(C)(C)OC(C)(C)C1 ZINC001172651499 974895334 /nfs/dbraw/zinc/89/53/34/974895334.db2.gz CSQWJNFVZMZHJY-SNVBAGLBSA-N 2 0 228.380 1.907 20 0 BDADRP C[NH+](C)CCOCC[NH2+][C@H]1CCOC(C)(C)C1 ZINC000234265286 487789061 /nfs/dbraw/zinc/78/90/61/487789061.db2.gz CYSFVLAYDCXEPQ-LBPRGKRZSA-N 2 0 244.379 1.112 20 0 BDADRP C[N@H+](CCC[NH3+])CCCCC1CCOCC1 ZINC000300721016 487791467 /nfs/dbraw/zinc/79/14/67/487791467.db2.gz BOBWFPWWPCCZDQ-UHFFFAOYSA-N 2 0 228.380 1.864 20 0 BDADRP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3CCCOC3)CC[C@H]21 ZINC000675983296 487798130 /nfs/dbraw/zinc/79/81/30/487798130.db2.gz PBERLFULPMERJY-HZSPNIEDSA-N 2 0 238.375 1.582 20 0 BDADRP Cc1ccnc(OC2CC[NH+](CCC[NH3+])CC2)c1 ZINC000414718949 487818516 /nfs/dbraw/zinc/81/85/16/487818516.db2.gz WXPRZDHANYIGFM-UHFFFAOYSA-N 2 0 249.358 1.582 20 0 BDADRP [NH3+]CCC[N@H+](CCO)CC1CCCCC1 ZINC000414747800 487820961 /nfs/dbraw/zinc/82/09/61/487820961.db2.gz SUUAYFMJPDTTJY-UHFFFAOYSA-N 2 0 214.353 1.210 20 0 BDADRP C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@@H+]2CCC[NH3+])C1 ZINC000414757891 487820987 /nfs/dbraw/zinc/82/09/87/487820987.db2.gz UEVGWICEVMTCLN-MQYQWHSLSA-N 2 0 240.391 1.597 20 0 BDADRP CC[NH2+]Cc1cccc(NCCC[NH3+])c1 ZINC000414861540 487826184 /nfs/dbraw/zinc/82/61/84/487826184.db2.gz FQSLZYQNQUJHEX-UHFFFAOYSA-N 2 0 207.321 1.557 20 0 BDADRP CC(C)n1nccc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000414910555 487828451 /nfs/dbraw/zinc/82/84/51/487828451.db2.gz DDAUKRAPCFYQBP-NWDGAFQWSA-N 2 0 236.363 1.824 20 0 BDADRP COC[C@H](CC(C)C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000414925784 487829366 /nfs/dbraw/zinc/82/93/66/487829366.db2.gz MDAORNQLVBOIFF-XQQFMLRXSA-N 2 0 228.380 1.907 20 0 BDADRP CC(C)C1CC([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000488431714 527627439 /nfs/dbraw/zinc/62/74/39/527627439.db2.gz OIIWROQEXLGECV-RUXDESIVSA-N 2 0 240.391 1.467 20 0 BDADRP [NH3+]CCCN[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414951504 487831376 /nfs/dbraw/zinc/83/13/76/487831376.db2.gz JCJMFDDQDFURBZ-OAHLLOKOSA-N 2 0 243.354 1.778 20 0 BDADRP CCCC[C@H](CC)CC[N@H+](C)C[C@H](O)C[NH3+] ZINC000415073877 487836417 /nfs/dbraw/zinc/83/64/17/487836417.db2.gz ZAWXBHTUOKYVFL-QWHCGFSZSA-N 2 0 230.396 1.844 20 0 BDADRP [NH3+]CCC[NH2+]CCc1ccc(F)cc1Cl ZINC000415092090 487837064 /nfs/dbraw/zinc/83/70/64/487837064.db2.gz SBAKGGDEAMYXED-UHFFFAOYSA-N 2 0 230.714 1.960 20 0 BDADRP CC(C)[C@H]([NH2+]CCC[NH3+])C1(CO)CCCC1 ZINC000415104734 487837878 /nfs/dbraw/zinc/83/78/78/487837878.db2.gz LKIFBXFHFKRBTE-LBPRGKRZSA-N 2 0 228.380 1.502 20 0 BDADRP Cc1ccc(NCCC[NH3+])c(C[NH+](C)C)c1 ZINC000415120600 487838619 /nfs/dbraw/zinc/83/86/19/487838619.db2.gz LMTPAKQIFZLBIR-UHFFFAOYSA-N 2 0 221.348 1.817 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCCCCC[NH3+])C1 ZINC000846220897 588259905 /nfs/dbraw/zinc/25/99/05/588259905.db2.gz XPTUDANFQFTLSA-RYUDHWBXSA-N 3 0 213.369 1.175 20 0 BDADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(CCC[NH3+])C1 ZINC000666645410 487848789 /nfs/dbraw/zinc/84/87/89/487848789.db2.gz RVUBPUDIWXEWRS-OAHLLOKOSA-N 2 0 247.386 1.542 20 0 BDADRP CO[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000666699879 487862750 /nfs/dbraw/zinc/86/27/50/487862750.db2.gz BWEBPEGPQDSMNZ-HZSPNIEDSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@H]([NH2+]Cc1cnc(N(C)C)n1C)C1CC1 ZINC000323715443 487871758 /nfs/dbraw/zinc/87/17/58/487871758.db2.gz LINKDUAXBGNCSR-LBPRGKRZSA-N 2 0 236.363 1.764 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CCC1CC1 ZINC000234781641 487877958 /nfs/dbraw/zinc/87/79/58/487877958.db2.gz GARPVDFDDDUVJV-NSHDSACASA-N 2 0 200.326 1.130 20 0 BDADRP [NH3+]C1CC[NH+](C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000229247452 487898411 /nfs/dbraw/zinc/89/84/11/487898411.db2.gz FOGGZQPZRZHPMI-ZDUSSCGKSA-N 2 0 238.375 1.901 20 0 BDADRP C[C@H]([NH3+])[C@H](C)[NH2+]C[C@H]1CCOc2ccccc21 ZINC000666930222 487907743 /nfs/dbraw/zinc/90/77/43/487907743.db2.gz ANKQAKYHGFSFDO-SDDRHHMPSA-N 2 0 234.343 1.878 20 0 BDADRP C[NH2+]C[C@@H]1CCCCN1C[C@H]1CCC[NH2+]C1 ZINC001331998268 974914614 /nfs/dbraw/zinc/91/46/14/974914614.db2.gz VLRVQOKMMHSKEU-STQMWFEESA-N 2 0 225.380 1.060 20 0 BDADRP CCCC[C@@H](COC)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666953572 487915340 /nfs/dbraw/zinc/91/53/40/487915340.db2.gz BHNDKZIOOHDADC-STQMWFEESA-N 2 0 240.391 1.923 20 0 BDADRP CC[C@H](COC)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666954602 487915928 /nfs/dbraw/zinc/91/59/28/487915928.db2.gz YSEBIFZUDGRVHV-GHMZBOCLSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666954545 487916205 /nfs/dbraw/zinc/91/62/05/487916205.db2.gz XSNBUBKGBWCBPA-WOPDTQHZSA-N 2 0 208.349 1.907 20 0 BDADRP Cn1cncc1CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000090168700 487919656 /nfs/dbraw/zinc/91/96/56/487919656.db2.gz BSAYRMOTCFVAHZ-OCCSQVGLSA-N 2 0 248.374 1.384 20 0 BDADRP C[NH2+]CCC[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000652364305 487934327 /nfs/dbraw/zinc/93/43/27/487934327.db2.gz GAXCDXHMWLALPS-SECBINFHSA-N 2 0 204.264 1.327 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc2c1NCC2 ZINC000566230027 322976602 /nfs/dbraw/zinc/97/66/02/322976602.db2.gz AAYVNGZHROHGDM-MNOVXSKESA-N 2 0 233.359 1.870 20 0 BDADRP Cc1cccc2ncc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])n21 ZINC000564973705 322985328 /nfs/dbraw/zinc/98/53/28/322985328.db2.gz ONYVUQUHERTBJJ-QWRGUYRKSA-N 2 0 246.358 1.858 20 0 BDADRP CO[C@H](C)CC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000561721384 323005943 /nfs/dbraw/zinc/00/59/43/323005943.db2.gz CEXJVZFYOPRUFR-GFCCVEGCSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H](CC[NH3+])NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000562809245 323031093 /nfs/dbraw/zinc/03/10/93/323031093.db2.gz IMEYSVMOAKCAHN-AAEUAGOBSA-N 2 0 249.358 1.320 20 0 BDADRP CC[N@@H+]1CCC[C@@H](C[NH2+]CC[C@H]2CCOC2)C1 ZINC000569658366 323035708 /nfs/dbraw/zinc/03/57/08/323035708.db2.gz CEKJLMPJZFVHQD-KBPBESRZSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@H](CCCC[NH3+])NC(=O)c1ccc(C[NH3+])cc1 ZINC000569926840 323044691 /nfs/dbraw/zinc/04/46/91/323044691.db2.gz WOVRRQOUQVYZHK-LLVKDONJSA-N 2 0 249.358 1.393 20 0 BDADRP [NH3+]Cc1ccc(CN[C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000570802245 323070728 /nfs/dbraw/zinc/07/07/28/323070728.db2.gz BKVQMOAXQBZUOM-GJZGRUSLSA-N 2 0 247.386 1.895 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[C@H](O)C(F)F ZINC000570942075 323076164 /nfs/dbraw/zinc/07/61/64/323076164.db2.gz NZWVCUSIAPWRCW-IMSYWVGJSA-N 2 0 236.306 1.251 20 0 BDADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)CSC)C1 ZINC000562984714 323078098 /nfs/dbraw/zinc/07/80/98/323078098.db2.gz FMFLQCHANWEYTF-NWDGAFQWSA-N 2 0 246.420 1.032 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccnc(N)c2)C1 ZINC000563154087 323095807 /nfs/dbraw/zinc/09/58/07/323095807.db2.gz FVBLLNLFYITXJJ-JQWIXIFHSA-N 2 0 234.347 1.053 20 0 BDADRP CC(=O)NCCC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000394764601 323108176 /nfs/dbraw/zinc/10/81/76/323108176.db2.gz PFWGAZVJQPKTNL-ZIAGYGMSSA-N 2 0 247.342 1.247 20 0 BDADRP COC[C@@H](C)[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000563421930 323124102 /nfs/dbraw/zinc/12/41/02/323124102.db2.gz YCXZNAIPTNADNV-VOMCLLRMSA-N 2 0 212.337 1.225 20 0 BDADRP CC[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)[NH+]1CCCC1 ZINC000563423108 323124254 /nfs/dbraw/zinc/12/42/54/323124254.db2.gz DCLKLLXTQCHUDQ-HZSPNIEDSA-N 2 0 239.407 1.720 20 0 BDADRP CC[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)[NH+]1CCCC1 ZINC000563423110 323124303 /nfs/dbraw/zinc/12/43/03/323124303.db2.gz DCLKLLXTQCHUDQ-MGPQQGTHSA-N 2 0 239.407 1.720 20 0 BDADRP C[C@@H]1CC([NH2+][C@@H]2CCC[C@H]2C[NH3+])C[C@@H](C)O1 ZINC000563435564 323125422 /nfs/dbraw/zinc/12/54/22/323125422.db2.gz NAKROTHDUJEHAJ-HNCHTBHHSA-N 2 0 226.364 1.659 20 0 BDADRP CC[C@@H]([NH2+]CCC[NH+](C)C)C1CCOCC1 ZINC000310038524 323127571 /nfs/dbraw/zinc/12/75/71/323127571.db2.gz WESALENNCLJPNI-CYBMUJFWSA-N 2 0 228.380 1.733 20 0 BDADRP C[C@H]1CCN(CC[NH2+][C@@H]2COC(C)(C)C2)C1 ZINC000564552037 323128035 /nfs/dbraw/zinc/12/80/35/323128035.db2.gz JKSMCNQSLHSMRT-RYUDHWBXSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)CCCC[NH3+])cc1 ZINC000563533882 323129484 /nfs/dbraw/zinc/12/94/84/323129484.db2.gz CKZGVTHBPUAEND-JTQLQIEISA-N 2 0 235.331 1.774 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([N@@H+]2CCC[C@]3(CCOC3)C2)C1 ZINC000563550488 323129912 /nfs/dbraw/zinc/12/99/12/323129912.db2.gz ZZLVZLJMRMCSGH-MCIONIFRSA-N 2 0 238.375 1.759 20 0 BDADRP CCN(C)C[C@@H](O)C[N@@H+]1C[C@H](C)CC(C)(C)C1 ZINC000571103602 323135607 /nfs/dbraw/zinc/13/56/07/323135607.db2.gz FBJPZWLWNHAPQF-CHWSQXEVSA-N 2 0 242.407 1.667 20 0 BDADRP CC(C)n1cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cn1 ZINC000571404510 323143679 /nfs/dbraw/zinc/14/36/79/323143679.db2.gz XFORCRNCFMRDFN-GHMZBOCLSA-N 2 0 224.352 1.679 20 0 BDADRP COC[C@H]([NH2+][C@@H](C)CCCC[NH3+])C1CC1 ZINC000397261551 323151615 /nfs/dbraw/zinc/15/16/15/323151615.db2.gz SUMLGYOBIQFRRK-JQWIXIFHSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CCCOC1)[C@H]1CCCC[NH2+]1 ZINC000530211537 323211601 /nfs/dbraw/zinc/21/16/01/323211601.db2.gz METULNBIFRYAIH-MGPQQGTHSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000530215244 323216902 /nfs/dbraw/zinc/21/69/02/323216902.db2.gz FTHOHYSTPQSLNT-FRRDWIJNSA-N 2 0 237.391 1.249 20 0 BDADRP CCC[NH+]1CCC([NH2+]CCC2(CO)CC2)CC1 ZINC000395919710 323264340 /nfs/dbraw/zinc/26/43/40/323264340.db2.gz WVTFTCLHNCWBKC-UHFFFAOYSA-N 2 0 240.391 1.613 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N[C@@H]1CCC[NH2+][C@@H]1C ZINC000396623814 323394379 /nfs/dbraw/zinc/39/43/79/323394379.db2.gz VTPQKXJLKTUOBF-FVCCEPFGSA-N 2 0 225.380 1.057 20 0 BDADRP COCC[C@H](C)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000122600336 324050746 /nfs/dbraw/zinc/05/07/46/324050746.db2.gz JHYCFXPLYKIYBW-AVGNSLFASA-N 2 0 228.380 1.874 20 0 BDADRP CC[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)C1CCOCC1 ZINC000521736681 324192068 /nfs/dbraw/zinc/19/20/68/324192068.db2.gz UVWXTPMYMILRFU-OCCSQVGLSA-N 2 0 242.407 1.979 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCCOC2)CC[NH2+]1 ZINC000530213017 324529433 /nfs/dbraw/zinc/52/94/33/324529433.db2.gz SUBAAPHHJYUASD-FRRDWIJNSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CCCOC1)[C@@H]1CCC[NH2+]1 ZINC000530214243 324530443 /nfs/dbraw/zinc/53/04/43/324530443.db2.gz VZTFQYPCAKDARV-AGIUHOORSA-N 2 0 226.364 1.533 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CC12CC(C1)CO2 ZINC000530222583 324541596 /nfs/dbraw/zinc/54/15/96/324541596.db2.gz RQPFRAJBCMKQCO-QBHFIFKDSA-N 2 0 224.348 1.273 20 0 BDADRP C[C@@H](O)[C@@H](C)[NH2+]CCCCC[NH+]1CCCC1 ZINC000564205496 324697045 /nfs/dbraw/zinc/69/70/45/324697045.db2.gz ZGJWNIYTXZQUJO-CHWSQXEVSA-N 2 0 228.380 1.611 20 0 BDADRP CC[NH2+]Cc1cccc(NC(=O)[C@@H](C)[NH3+])c1 ZINC000131642663 325172632 /nfs/dbraw/zinc/17/26/32/325172632.db2.gz QHDYJEVAWZSMGE-SECBINFHSA-N 2 0 221.304 1.082 20 0 BDADRP COC[C@H](C)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000132170731 325202815 /nfs/dbraw/zinc/20/28/15/325202815.db2.gz IZHGSCWERFBUIC-GFCCVEGCSA-N 2 0 244.379 1.099 20 0 BDADRP COC[C@H](C)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000134896478 325381769 /nfs/dbraw/zinc/38/17/69/325381769.db2.gz IMRDIFXEXDGJDU-STQMWFEESA-N 2 0 228.380 1.875 20 0 BDADRP C([NH2+][C@H]1CCC12CCOCC2)[C@@H]1CCC[NH2+]C1 ZINC000564791794 325809327 /nfs/dbraw/zinc/80/93/27/325809327.db2.gz HORZWISPGZLWIK-OLZOCXBDSA-N 2 0 238.375 1.535 20 0 BDADRP F[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000565480335 325917352 /nfs/dbraw/zinc/91/73/52/325917352.db2.gz CMVYSTMYFXBJRF-IJLUTSLNSA-N 2 0 214.328 1.999 20 0 BDADRP CC[C@H](COC)[NH2+]CCC[NH2+]C(C)C ZINC000565827673 325961263 /nfs/dbraw/zinc/96/12/63/325961263.db2.gz XRTRIRUUHZYJQV-LLVKDONJSA-N 2 0 202.342 1.389 20 0 BDADRP COC[C@H](C)C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000565880048 325968920 /nfs/dbraw/zinc/96/89/20/325968920.db2.gz FQIAHGBCIOXXJV-NEPJUHHUSA-N 2 0 214.353 1.248 20 0 BDADRP C[NH2+]CCCN(C)C(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000566209685 326013689 /nfs/dbraw/zinc/01/36/89/326013689.db2.gz ZDDSVAYCIXVDMZ-NSHDSACASA-N 2 0 249.358 1.388 20 0 BDADRP COc1ccccc1/C=C/C[N@H+](C)CCC[NH3+] ZINC000566225784 326018647 /nfs/dbraw/zinc/01/86/47/326018647.db2.gz LXOXCANXYOVPGW-VMPITWQZSA-N 2 0 234.343 1.989 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000566229883 326018996 /nfs/dbraw/zinc/01/89/96/326018996.db2.gz RFWCVJPKNKYZSB-NXEZZACHSA-N 2 0 232.331 1.778 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)CCC1CC[NH2+]CC1 ZINC000566256597 326025149 /nfs/dbraw/zinc/02/51/49/326025149.db2.gz FNVMYCFDZVVYKW-GHMZBOCLSA-N 2 0 241.379 1.008 20 0 BDADRP C/C=C\C[C@H](CO)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000566481543 326055686 /nfs/dbraw/zinc/05/56/86/326055686.db2.gz IJQGSRAJXPQXNK-QIOFFNHISA-N 2 0 212.337 1.173 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)C1 ZINC000566482007 326055795 /nfs/dbraw/zinc/05/57/95/326055795.db2.gz LPVQAELYOBLCAK-CYDGBPFRSA-N 2 0 208.349 1.892 20 0 BDADRP CC[NH2+]CCC[NH2+][C@H]1CCC[C@H]1COCC ZINC000566614425 326067875 /nfs/dbraw/zinc/06/78/75/326067875.db2.gz RIVPDDYRNJXMHD-STQMWFEESA-N 2 0 228.380 1.781 20 0 BDADRP C[NH2+]C[C@](C)(O)C[NH+]1CCC(C)(C)CC1 ZINC000567054689 326107481 /nfs/dbraw/zinc/10/74/81/326107481.db2.gz XUPODRJZCWUEQJ-LBPRGKRZSA-N 2 0 214.353 1.079 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+]CC1(O)CCC(C)CC1 ZINC000567161432 326126644 /nfs/dbraw/zinc/12/66/44/326126644.db2.gz ZKZCNVBSUVWESY-ROKHWSDSSA-N 2 0 242.407 1.857 20 0 BDADRP [NH3+]Cc1ccc(OCC[C@@H]2CC[NH2+]C2)cc1 ZINC000567492476 326203651 /nfs/dbraw/zinc/20/36/51/326203651.db2.gz AHZVIMLQVGTJJZ-LBPRGKRZSA-N 2 0 220.316 1.524 20 0 BDADRP C[NH2+]C[C@H](C)c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000567501513 326205135 /nfs/dbraw/zinc/20/51/35/326205135.db2.gz YMMFGVLJEFDFMV-VIFPVBQESA-N 2 0 246.314 1.518 20 0 BDADRP C[C@@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[NH+](C)C ZINC000156052453 326217755 /nfs/dbraw/zinc/21/77/55/326217755.db2.gz WCDHLTYOIBGRKE-YNEHKIRRSA-N 2 0 225.380 1.153 20 0 BDADRP CC(C)[NH2+]CCCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000567639272 326236983 /nfs/dbraw/zinc/23/69/83/326236983.db2.gz CWJPRHIZPSVEQA-STQMWFEESA-N 2 0 227.396 1.352 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)C1 ZINC000567682911 326243879 /nfs/dbraw/zinc/24/38/79/326243879.db2.gz BQSCRYZPEBQRGV-JHJVBQTASA-N 2 0 242.407 1.856 20 0 BDADRP C[C@@H]1CN([C@@H]2CCC[C@@H]([NH3+])C2)C[C@@]1(C)C[NH3+] ZINC000567752458 326255476 /nfs/dbraw/zinc/25/54/76/326255476.db2.gz LHSAVWLWUDBZIY-FDYHWXHSSA-N 2 0 225.380 1.173 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)[C@H]1CCOC1 ZINC000158222429 326312090 /nfs/dbraw/zinc/31/20/90/326312090.db2.gz BKWXRCHQOMCTIU-IHRRRGAJSA-N 2 0 240.391 1.733 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000568180935 326321539 /nfs/dbraw/zinc/32/15/39/326321539.db2.gz GRFRIMGAOIQHOG-FVCCEPFGSA-N 2 0 226.364 1.077 20 0 BDADRP C[C@@H]1CCCC[N@@H+]1CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000568248511 326334399 /nfs/dbraw/zinc/33/43/99/326334399.db2.gz SXMHPSRBMRXWRT-RDBSUJKOSA-N 2 0 239.407 1.720 20 0 BDADRP CC[C@@H]1CCC[C@@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000568617225 326367708 /nfs/dbraw/zinc/36/77/08/326367708.db2.gz XCHPPNIZHOWXNA-KGLIPLIRSA-N 2 0 239.407 1.450 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000568714430 326373141 /nfs/dbraw/zinc/37/31/41/326373141.db2.gz PPIFIUKUWLVFTM-NDBYEHHHSA-N 2 0 228.380 1.872 20 0 BDADRP CCn1ccnc1C[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000568845351 326379075 /nfs/dbraw/zinc/37/90/75/326379075.db2.gz ZLACFFWDXWLDDV-NWDGAFQWSA-N 2 0 236.363 1.510 20 0 BDADRP COCCC[NH+]1CCC([NH2+][C@H](C)COC)CC1 ZINC000159229175 326390935 /nfs/dbraw/zinc/39/09/35/326390935.db2.gz IKTGZHVVKLETHH-GFCCVEGCSA-N 2 0 244.379 1.112 20 0 BDADRP COC[C@H](C)C[NH2+]CCCC[NH+](C)C ZINC000163330121 326400310 /nfs/dbraw/zinc/40/03/10/326400310.db2.gz CKHXSVAPQYVYSW-LLVKDONJSA-N 2 0 202.342 1.200 20 0 BDADRP Cc1ccc(CN(C)C[C@H](O)C[NH3+])c(Cl)c1 ZINC000309603538 487995496 /nfs/dbraw/zinc/99/54/96/487995496.db2.gz YDUQPJYIRFSIDK-LLVKDONJSA-N 2 0 242.750 1.400 20 0 BDADRP CC[N@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667495327 488027644 /nfs/dbraw/zinc/02/76/44/488027644.db2.gz DRXBKENEEREZPD-UHFFFAOYSA-N 2 0 216.288 1.719 20 0 BDADRP CC[NH+](CC)[C@H]1CCN(C(=O)CC(C)(C)[NH3+])C1 ZINC000084186717 488035803 /nfs/dbraw/zinc/03/58/03/488035803.db2.gz WCFSNMBOYGWEAH-NSHDSACASA-N 2 0 241.379 1.057 20 0 BDADRP CC(C)N1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000084384848 488049672 /nfs/dbraw/zinc/04/96/72/488049672.db2.gz DAGRVXBIJUOLRJ-ZDUSSCGKSA-N 2 0 225.380 1.012 20 0 BDADRP O=c1ccc(C[NH2+]CCC[NH+]2CCCCC2)c[nH]1 ZINC000236412583 488059898 /nfs/dbraw/zinc/05/98/98/488059898.db2.gz PUNPBAOIAJTBBS-UHFFFAOYSA-N 2 0 249.358 1.341 20 0 BDADRP Cc1ncc(CN2CCO[C@H](C)[C@@H]2C)n1C ZINC000667640648 488065276 /nfs/dbraw/zinc/06/52/76/488065276.db2.gz ZOOBOPIFBCQHAL-VHSXEESVSA-N 2 0 223.320 1.338 20 0 BDADRP CC[C@H]([NH2+][C@H](C)C1C[NH2+]C1)[C@@H]1CCCCO1 ZINC000656200610 488066688 /nfs/dbraw/zinc/06/66/88/488066688.db2.gz BBTUVTADGSHAGN-WXHSDQCUSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@@H](Cc1ccccn1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000656200604 488066961 /nfs/dbraw/zinc/06/69/61/488066961.db2.gz AVZZTVMOFAAMJQ-YXQSOJMXSA-N 2 0 245.370 1.885 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000656200814 488067068 /nfs/dbraw/zinc/06/70/68/488067068.db2.gz QZYUDBPYTMPMCE-IGQOVBAYSA-N 3 0 239.407 1.434 20 0 BDADRP C[C@@H]1CC[NH2+][C@H](C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000669508370 488108896 /nfs/dbraw/zinc/10/88/96/488108896.db2.gz OVRVEYPHFBOUOE-MFKMUULPSA-N 2 0 247.342 1.472 20 0 BDADRP C[NH+](C)CCC[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000667763021 488111705 /nfs/dbraw/zinc/11/17/05/488111705.db2.gz NONSFHHGHDUNGE-VXGBXAGGSA-N 2 0 212.337 1.095 20 0 BDADRP [NH3+]C1(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CCC1 ZINC000403146252 488115896 /nfs/dbraw/zinc/11/58/96/488115896.db2.gz XPWDMRFHULZHIE-GRYCIOLGSA-N 2 0 208.349 1.894 20 0 BDADRP CC[NH+](CC)CCCN1CC[N@H+](CC)[C@@H](C)C1 ZINC000683141629 488117685 /nfs/dbraw/zinc/11/76/85/488117685.db2.gz IWUBNICVLYIRKM-AWEZNQCLSA-N 2 0 241.423 1.744 20 0 BDADRP C[C@H](CCCCO)[NH2+]CCC1(C[NH3+])CC1 ZINC000650745889 488119730 /nfs/dbraw/zinc/11/97/30/488119730.db2.gz QEJYUXDXOBOTGO-LLVKDONJSA-N 2 0 214.353 1.256 20 0 BDADRP Cc1nccn1CC[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000667822675 488129261 /nfs/dbraw/zinc/12/92/61/488129261.db2.gz QHHMDALPHQQFHJ-OLZOCXBDSA-N 2 0 235.331 1.349 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C[C@H]1[NH3+] ZINC000403626998 488129410 /nfs/dbraw/zinc/12/94/10/488129410.db2.gz MDUQZTCGGCOSDG-NJMOYASZSA-N 2 0 208.349 1.702 20 0 BDADRP C[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCCOC2)C1 ZINC000674301985 487554843 /nfs/dbraw/zinc/55/48/43/487554843.db2.gz IJIWRWVVPXPNIV-NEPJUHHUSA-N 2 0 212.337 1.049 20 0 BDADRP C[C@@H](CO)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000680073715 487533272 /nfs/dbraw/zinc/53/32/72/487533272.db2.gz JBVTVGYCHSPEHU-GFCCVEGCSA-N 2 0 226.364 1.175 20 0 BDADRP CCCN1CC[C@H]([NH2+][C@H]2CO[C@H](C)C2)C1 ZINC000401871728 487472773 /nfs/dbraw/zinc/47/27/73/487472773.db2.gz CGWCZXKDLYMXLO-GRYCIOLGSA-N 2 0 212.337 1.238 20 0 BDADRP C[NH+](C)C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000037503430 487476860 /nfs/dbraw/zinc/47/68/60/487476860.db2.gz RZXMBUMBGDZAIF-CHWSQXEVSA-N 2 0 226.364 1.316 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)[C@H](C)[C@H]1C ZINC000399627302 487491000 /nfs/dbraw/zinc/49/10/00/487491000.db2.gz VRNWQHNGVQQPJF-XJFOESAGSA-N 2 0 242.407 1.664 20 0 BDADRP CC[C@@H](C)[N@H+](CC)C[C@H](O)C[NH+](C)C(C)C ZINC000380976005 487491879 /nfs/dbraw/zinc/49/18/79/487491879.db2.gz BLDUSYGWDFCFBR-CHWSQXEVSA-N 2 0 230.396 1.808 20 0 BDADRP CCN(C)C[C@H](O)C[N@@H+]1C[C@H](C)[C@H](C)[C@@H]1C ZINC000399710068 487496592 /nfs/dbraw/zinc/49/65/92/487496592.db2.gz YIHFSEHRVWDOMB-CYDGBPFRSA-N 2 0 228.380 1.275 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@@H]1C ZINC000381100997 487496600 /nfs/dbraw/zinc/49/66/00/487496600.db2.gz XVRYJCMNNHOKJT-AGIUHOORSA-N 2 0 228.380 1.418 20 0 BDADRP Cc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)o1 ZINC000086403996 487500857 /nfs/dbraw/zinc/50/08/57/487500857.db2.gz INFZPWIZCNPYRE-MNOVXSKESA-N 2 0 208.305 1.948 20 0 BDADRP Cc1csc(CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000086404111 487500873 /nfs/dbraw/zinc/50/08/73/487500873.db2.gz NIQUAPMBFMVWSY-WDEREUQCSA-N 2 0 239.388 1.854 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000662266757 487503279 /nfs/dbraw/zinc/50/32/79/487503279.db2.gz OSVLQJAAJTWGKL-IVZWLZJFSA-N 2 0 234.290 1.080 20 0 BDADRP COC[C@H](C)[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000086500527 487514755 /nfs/dbraw/zinc/51/47/55/487514755.db2.gz HHTNNGLKCPWQDP-FRRDWIJNSA-N 2 0 228.380 1.922 20 0 BDADRP C[NH2+]C[C@H](C)NC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000662968020 487776209 /nfs/dbraw/zinc/77/62/09/487776209.db2.gz QBOVGDDXUPOJKI-JQWIXIFHSA-N 2 0 241.379 1.008 20 0 BDADRP c1ccc2c(c1)OCC[C@@H]2C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000666939747 487908901 /nfs/dbraw/zinc/90/89/01/487908901.db2.gz JYFPIEJVWAREAU-PBOSXPJTSA-N 2 0 244.338 1.360 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000414919614 488083951 /nfs/dbraw/zinc/08/39/51/488083951.db2.gz VHCAIDWSDURPOJ-SRVKXCTJSA-N 2 0 213.369 1.219 20 0 BDADRP CCCN1CC[C@H]([NH2+]Cc2cc[nH]c2)C1 ZINC000389308939 488088581 /nfs/dbraw/zinc/08/85/81/488088581.db2.gz DTXPXJOQEWLNKH-LBPRGKRZSA-N 2 0 207.321 1.589 20 0 BDADRP CCN(CCC[NH+](C)C)C(=O)CC1([NH3+])CCC1 ZINC000230710339 488141021 /nfs/dbraw/zinc/14/10/21/488141021.db2.gz NAUSMRLOBPBVPH-UHFFFAOYSA-N 2 0 241.379 1.058 20 0 BDADRP CCC[N@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000379536637 488141594 /nfs/dbraw/zinc/14/15/94/488141594.db2.gz LVKKRXGOLSZLDN-NSHDSACASA-N 2 0 202.342 1.029 20 0 BDADRP CCOC[C@@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000160674252 488150967 /nfs/dbraw/zinc/15/09/67/488150967.db2.gz WSBVNXVEAYQISR-GHMZBOCLSA-N 2 0 200.326 1.143 20 0 BDADRP Cc1nnsc1CN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000379772557 488152265 /nfs/dbraw/zinc/15/22/65/488152265.db2.gz BBADSADSTGUWAJ-IONNQARKSA-N 2 0 226.349 1.016 20 0 BDADRP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)C1CC1 ZINC000323765222 488220686 /nfs/dbraw/zinc/22/06/86/488220686.db2.gz WAVLDHZYJOZCNK-CHWSQXEVSA-N 2 0 228.380 1.466 20 0 BDADRP C[C@H]1CC[N@H+](Cc2cn[nH]c2)C[C@H]1n1ccnc1 ZINC000678336760 488241922 /nfs/dbraw/zinc/24/19/22/488241922.db2.gz LKYTVCXUMXSIII-WCQYABFASA-N 2 0 245.330 1.689 20 0 BDADRP c1ccc([C@@H]2C[C@@H]2C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000678343384 488243239 /nfs/dbraw/zinc/24/32/39/488243239.db2.gz SNWZRFUMKOMUEL-UGUYLWEFSA-N 2 0 242.366 1.941 20 0 BDADRP Cc1cc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)ncn1 ZINC000678605622 488271535 /nfs/dbraw/zinc/27/15/35/488271535.db2.gz RZFJYFAZSZKWNG-GFCCVEGCSA-N 2 0 248.374 1.605 20 0 BDADRP CN(CCC[NH+](C)C)C(=O)CCCC[NH+](C)C ZINC000678866406 488291817 /nfs/dbraw/zinc/29/18/17/488291817.db2.gz SKQZTZOYKYQBME-UHFFFAOYSA-N 2 0 243.395 1.128 20 0 BDADRP c1cc2c(cc1C[NH+]1CCSCC1)C[NH2+]CC2 ZINC000211958399 488354691 /nfs/dbraw/zinc/35/46/91/488354691.db2.gz JCYXCHOCHHGBFU-UHFFFAOYSA-N 2 0 248.395 1.881 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CO1 ZINC000402371354 490156278 /nfs/dbraw/zinc/15/62/78/490156278.db2.gz HBJAAYPXMWMIAW-LBELIVKGSA-N 2 0 224.348 1.142 20 0 BDADRP COc1ccc(C[N@H+](C)C2CC([NH3+])C2)cc1C ZINC000385031347 490235360 /nfs/dbraw/zinc/23/53/60/490235360.db2.gz PUNUTSYRVHWOQE-UHFFFAOYSA-N 2 0 234.343 1.925 20 0 BDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)CC(C)(C)[NH3+] ZINC000084165041 490377412 /nfs/dbraw/zinc/37/74/12/490377412.db2.gz VFIMOOTWGOKNKD-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@@H]([NH2+]CC(C)(C)CO)C1CC[NH+](C)CC1 ZINC000122030476 490481967 /nfs/dbraw/zinc/48/19/67/490481967.db2.gz DUHJEOVODWCPGP-LLVKDONJSA-N 2 0 228.380 1.325 20 0 BDADRP C[C@@H](CO)CCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000222586646 490648009 /nfs/dbraw/zinc/64/80/09/490648009.db2.gz AFWOLWRVEZNWDC-OLZOCXBDSA-N 2 0 242.407 1.715 20 0 BDADRP C[C@@H]([NH2+]CC1(C)COC1)C1CC[NH+](C)CC1 ZINC000087197257 491066734 /nfs/dbraw/zinc/06/67/34/491066734.db2.gz CQEOCIYFTKJORI-LLVKDONJSA-N 2 0 226.364 1.343 20 0 BDADRP C[N@H+](CCCC1CC[NH2+]CC1)CC(C)(C)[NH3+] ZINC000662293308 491087525 /nfs/dbraw/zinc/08/75/25/491087525.db2.gz GKOLRDJPYMGYCV-UHFFFAOYSA-N 3 0 227.396 1.435 20 0 BDADRP C[C@@H](O)CCC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000228041112 491088483 /nfs/dbraw/zinc/08/84/83/491088483.db2.gz AREVZHGXYBRIDU-VXGBXAGGSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)C(C)(C)O ZINC000087818577 491092785 /nfs/dbraw/zinc/09/27/85/491092785.db2.gz GKYKWECOSWGIPX-NSHDSACASA-N 2 0 242.407 1.998 20 0 BDADRP CC[NH2+]Cc1ccccc1NC(=O)[C@@H](CC)[NH2+]C ZINC000662399157 491099468 /nfs/dbraw/zinc/09/94/68/491099468.db2.gz NSKNVLHYZAERPN-GFCCVEGCSA-N 2 0 249.358 1.733 20 0 BDADRP CC(C)(C)OCCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000309366217 491147533 /nfs/dbraw/zinc/14/75/33/491147533.db2.gz POBKRDLJVIOTRS-TXEJJXNPSA-N 2 0 226.364 1.343 20 0 BDADRP C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H]1CCC[NH2+]1 ZINC000400424166 533814168 /nfs/dbraw/zinc/81/41/68/533814168.db2.gz XVIDECCDWRZQPC-WYTNZGFTSA-N 2 0 237.391 1.342 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCCSC1)[C@H]1CCC[NH2+]1 ZINC000400345732 533883564 /nfs/dbraw/zinc/88/35/64/533883564.db2.gz IVLLSZTVJVCXQI-SDDRHHMPSA-N 2 0 228.405 1.860 20 0 BDADRP C[C@@H]1C[C@H](NCC[NH2+]C(C)(C)C)CC[NH2+]1 ZINC000414956263 533947676 /nfs/dbraw/zinc/94/76/76/533947676.db2.gz VCRHZTYZZZYRDO-GHMZBOCLSA-N 2 0 213.369 1.105 20 0 BDADRP C[C@H]([NH2+][C@@H](C)C1CCOCC1)[C@H]1CCC[NH2+]1 ZINC000400709339 533973395 /nfs/dbraw/zinc/97/33/95/533973395.db2.gz LWASCNCEWQBUGW-GMXVVIOVSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@H]([NH2+][C@H]1CCOC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000400692571 534008953 /nfs/dbraw/zinc/00/89/53/534008953.db2.gz ZLTNCOBGSBGQLD-RHYQMDGZSA-N 2 0 212.337 1.142 20 0 BDADRP CS[C@H](C)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400498870 534060661 /nfs/dbraw/zinc/06/06/61/534060661.db2.gz IAPNBUVTRIKJGZ-OPRDCNLKSA-N 2 0 202.367 1.468 20 0 BDADRP CCn1nccc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262071192 535868299 /nfs/dbraw/zinc/86/82/99/535868299.db2.gz SBAWXPOULMYPRK-UHFFFAOYSA-N 2 0 248.374 1.479 20 0 BDADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C1CSC1 ZINC000393615759 582824569 /nfs/dbraw/zinc/82/45/69/582824569.db2.gz ZUJRVBHJCSNJHQ-NSHDSACASA-N 2 0 232.393 1.048 20 0 BDADRP CN(C)C(=[NH2+])NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000849024396 582829981 /nfs/dbraw/zinc/82/99/81/582829981.db2.gz WDYZCNMGKGZMBV-SNVBAGLBSA-N 2 0 226.368 1.193 20 0 BDADRP CCc1cc(C[NH2+]CC2CC[NH+](C)CC2)on1 ZINC000892397890 582875887 /nfs/dbraw/zinc/87/58/87/582875887.db2.gz RVSYYQRYPIZAAS-UHFFFAOYSA-N 2 0 237.347 1.668 20 0 BDADRP C1[NH2+]C[C@H]2C[C@H]([NH2+][C@@H]3CCCSC3)CC[C@@H]12 ZINC000401038965 526424544 /nfs/dbraw/zinc/42/45/44/526424544.db2.gz SNKYZAZZVBGQJF-UMSGYPCISA-N 2 0 240.416 1.860 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2C[C@H]2C)C1 ZINC000488355533 527817390 /nfs/dbraw/zinc/81/73/90/527817390.db2.gz RONBSJMKVOGAAF-FRRDWIJNSA-N 2 0 210.365 1.916 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H]2O)[C@@H](C)C1 ZINC000305129664 527879736 /nfs/dbraw/zinc/87/97/36/527879736.db2.gz JLVMKBUFDMVSNY-XDQVBPFNSA-N 2 0 240.391 1.467 20 0 BDADRP CC(C)OCCCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400493034 527930360 /nfs/dbraw/zinc/93/03/60/527930360.db2.gz ZVUUFKVZHBLDBM-OLZOCXBDSA-N 2 0 228.380 1.922 20 0 BDADRP CCC[N@H+](CC)CCN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400322313 527980266 /nfs/dbraw/zinc/98/02/66/527980266.db2.gz BKTKHZZLAOWFQZ-OLZOCXBDSA-N 2 0 227.396 1.448 20 0 BDADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000495043872 528037910 /nfs/dbraw/zinc/03/79/10/528037910.db2.gz BSGDYESRCHNXQV-AAVRWANBSA-N 2 0 242.407 1.977 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400393456 528818108 /nfs/dbraw/zinc/81/81/08/528818108.db2.gz JIQDITIBCFBEGR-STQMWFEESA-N 2 0 227.396 1.447 20 0 BDADRP CC(C)[N@H+](C)CCN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000400551018 528824287 /nfs/dbraw/zinc/82/42/87/528824287.db2.gz XNPGPEOOHWBGTA-VXGBXAGGSA-N 2 0 213.369 1.057 20 0 BDADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(N)=[NH2+])C1 ZINC000304052645 529296381 /nfs/dbraw/zinc/29/63/81/529296381.db2.gz LHLQBZMMIJVXJN-SNVBAGLBSA-N 2 0 226.368 1.370 20 0 BDADRP CC(C)[C@H](CO)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227542088 535038317 /nfs/dbraw/zinc/03/83/17/535038317.db2.gz DOTDWQFRHDVYEW-RDBSUJKOSA-N 2 0 234.343 1.738 20 0 BDADRP CC(C)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000335320867 535196928 /nfs/dbraw/zinc/19/69/28/535196928.db2.gz IRNNGAYAQPBMQE-CYBMUJFWSA-N 2 0 239.407 1.495 20 0 BDADRP CCCC[N@H+](C)CC1CCN(CC[NH3+])CC1 ZINC000258603297 535216316 /nfs/dbraw/zinc/21/63/16/535216316.db2.gz HTIIGJXNCICQKH-UHFFFAOYSA-N 2 0 227.396 1.389 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@H]2CCC[C@H](O)C2)CC1 ZINC000224074559 535474341 /nfs/dbraw/zinc/47/43/41/535474341.db2.gz RWFSUQFGAOUNBN-JSGCOSHPSA-N 2 0 240.391 1.611 20 0 BDADRP CCOCCC[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000250586509 535515650 /nfs/dbraw/zinc/51/56/50/535515650.db2.gz ZPRMNOBJINKQNY-NWDGAFQWSA-N 2 0 214.353 1.615 20 0 BDADRP CCOCCC[NH+]1CCC(C[NH2+]C)CC1 ZINC000083551647 535515671 /nfs/dbraw/zinc/51/56/71/535515671.db2.gz DLMPVPYULGZCNR-UHFFFAOYSA-N 2 0 214.353 1.344 20 0 BDADRP CC[NH+](CC)CCN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000084215525 535540555 /nfs/dbraw/zinc/54/05/55/535540555.db2.gz QFGCKNUITIHDHQ-QWHCGFSZSA-N 2 0 227.396 1.435 20 0 BDADRP CC[NH+](CC)CCN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000249328020 535541016 /nfs/dbraw/zinc/54/10/16/535541016.db2.gz VBIBSXCZFKRXFQ-HZSPNIEDSA-N 2 0 241.423 1.647 20 0 BDADRP CCOCC[N@H+](CC)CC[C@H]1CC[NH2+]C1 ZINC000084385928 535585178 /nfs/dbraw/zinc/58/51/78/535585178.db2.gz WMFURZVOHJEIMC-GFCCVEGCSA-N 2 0 214.353 1.344 20 0 BDADRP CC[C@@H](O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000173781177 535812792 /nfs/dbraw/zinc/81/27/92/535812792.db2.gz BQQRLVDZLLNOBY-ZIAGYGMSSA-N 2 0 240.391 1.708 20 0 BDADRP CC[C@@H]1COCC[N@@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000261533657 535834571 /nfs/dbraw/zinc/83/45/71/535834571.db2.gz JJWPHLROIHTELN-RWMBFGLXSA-N 2 0 226.364 1.485 20 0 BDADRP CC[C@@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)C[C@@H]1O ZINC000348128879 535860575 /nfs/dbraw/zinc/86/05/75/535860575.db2.gz QNFHEFHYSIFJGI-AGIUHOORSA-N 2 0 226.364 1.173 20 0 BDADRP CC[C@@H]1C[C@H](C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)CCO1 ZINC000262061736 535899708 /nfs/dbraw/zinc/89/97/08/535899708.db2.gz RESPPVNJCSEIKK-LPWJVIDDSA-N 2 0 226.364 1.471 20 0 BDADRP CC[C@H](COC)[NH2+]CCC[NH+]1CCCCC1 ZINC000070656277 536121500 /nfs/dbraw/zinc/12/15/00/536121500.db2.gz ZUKGFBNGFBXDOF-CYBMUJFWSA-N 2 0 228.380 1.877 20 0 BDADRP C[NH+](C)[C@H]1CCC[N@H+](C[C@H]2CCCOC2)CC1 ZINC000336120970 536138523 /nfs/dbraw/zinc/13/85/23/536138523.db2.gz GRXLJLRHXGXXKA-KGLIPLIRSA-N 2 0 240.391 1.829 20 0 BDADRP C[N@H+](CCC[NH3+])[C@H]1CCc2ccccc21 ZINC000227743091 536343133 /nfs/dbraw/zinc/34/31/33/536343133.db2.gz FMCFCZVZORQVAU-ZDUSSCGKSA-N 2 0 204.317 1.955 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CCN1CC[NH+]2CCC[C@@H]2C1 ZINC000179245104 536371041 /nfs/dbraw/zinc/37/10/41/536371041.db2.gz KGJAJHMWYSPBCE-ZIAGYGMSSA-N 2 0 237.391 1.251 20 0 BDADRP CO[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000261534123 536705899 /nfs/dbraw/zinc/70/58/99/536705899.db2.gz NKDGOGYIFYUITE-RVMXOQNASA-N 2 0 226.364 1.661 20 0 BDADRP COCC[N@H+](CC(C)C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000261543471 536828353 /nfs/dbraw/zinc/82/83/53/536828353.db2.gz SUTCLAISVNXZNU-KGLIPLIRSA-N 2 0 242.407 1.979 20 0 BDADRP CO[C@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])C1 ZINC001172930846 974984446 /nfs/dbraw/zinc/98/44/46/974984446.db2.gz JHDTXWZLGUOCJD-FIQHERPVSA-N 2 0 212.337 1.413 20 0 BDADRP [NH3+]CCCCCCC(=O)NCC1([NH3+])CCCC1 ZINC000852851233 583020694 /nfs/dbraw/zinc/02/06/94/583020694.db2.gz AANCRORVHVSCQE-UHFFFAOYSA-N 2 0 241.379 1.283 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCC=C(F)C2)CC1 ZINC000893436118 583142743 /nfs/dbraw/zinc/14/27/43/583142743.db2.gz GUXWWLJCYGXABE-UHFFFAOYSA-N 2 0 212.312 1.887 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](CCC2SCCS2)C1 ZINC000853022943 588716600 /nfs/dbraw/zinc/71/66/00/588716600.db2.gz INTWYXZVIHADOR-JTQLQIEISA-N 2 0 246.445 1.853 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCC2SCCS2)C1 ZINC000853023511 588716621 /nfs/dbraw/zinc/71/66/21/588716621.db2.gz ZLVOGPLFGFRQJP-ZJUUUORDSA-N 2 0 246.445 1.852 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@H]1C=CCC1 ZINC000854221730 588780402 /nfs/dbraw/zinc/78/04/02/588780402.db2.gz UBQHAPBOAFURHH-BJDJZHNGSA-N 2 0 210.321 1.047 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000854230225 588780908 /nfs/dbraw/zinc/78/09/08/588780908.db2.gz KEBBVKIRQQGTAA-VXGBXAGGSA-N 2 0 236.363 1.750 20 0 BDADRP OCc1c[nH+]ccc1NCCC[NH+]1CCCCC1 ZINC000891592976 582700484 /nfs/dbraw/zinc/70/04/84/582700484.db2.gz PCFWLZHOVLVMBS-UHFFFAOYSA-N 2 0 249.358 1.284 20 0 BDADRP CC[NH+](CC)[C@H](C)CNc1cc[nH+]cc1CO ZINC000891789862 582721085 /nfs/dbraw/zinc/72/10/85/582721085.db2.gz RMOZEAIXWFLQTI-LLVKDONJSA-N 2 0 237.347 1.138 20 0 BDADRP Cc1cc(N)nc(N[C@@H](C)CC[NH+](C)C)[nH+]1 ZINC000892086773 582788359 /nfs/dbraw/zinc/78/83/59/582788359.db2.gz YTCYAENUWKSUCP-QMMMGPOBSA-N 2 0 223.324 1.119 20 0 BDADRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])NC2CCC2)C1 ZINC000848997551 582821021 /nfs/dbraw/zinc/82/10/21/582821021.db2.gz PEMWBJOJKJWXRT-NSHDSACASA-N 2 0 238.379 1.385 20 0 BDADRP CCCNC(=[NH2+])NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000849023693 582829758 /nfs/dbraw/zinc/82/97/58/582829758.db2.gz ADMYCLURRWQDTH-NSHDSACASA-N 2 0 240.395 1.631 20 0 BDADRP CCC[N@H+](C)C[C@H]1CCN(Cc2cncnc2)C1 ZINC000180003017 582901709 /nfs/dbraw/zinc/90/17/09/582901709.db2.gz LOWHQIYPHBAVDM-CYBMUJFWSA-N 2 0 248.374 1.640 20 0 BDADRP C[NH+]1CCC(C[NH2+]Cc2ccccc2CO)CC1 ZINC000892672510 582947779 /nfs/dbraw/zinc/94/77/79/582947779.db2.gz OWCWYHGUOVETKG-UHFFFAOYSA-N 2 0 248.370 1.610 20 0 BDADRP Cc1cc(N)nc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)[nH+]1 ZINC000892674212 582948280 /nfs/dbraw/zinc/94/82/80/582948280.db2.gz UJDVWNLLAOXFSE-UWVGGRQHSA-N 2 0 235.335 1.262 20 0 BDADRP Cc1cc(N)nc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)[nH+]1 ZINC000892674211 582948813 /nfs/dbraw/zinc/94/88/13/582948813.db2.gz UJDVWNLLAOXFSE-NXEZZACHSA-N 2 0 235.335 1.262 20 0 BDADRP CC(C)[C@@H](CO)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000394110109 582955381 /nfs/dbraw/zinc/95/53/81/582955381.db2.gz MBPUZXDFOGXMBX-GXTWGEPZSA-N 2 0 242.407 1.571 20 0 BDADRP CO[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H]([NH+](C)C)CC2)C1 ZINC000851985999 582990469 /nfs/dbraw/zinc/99/04/69/582990469.db2.gz YHEGXZMGQVULRG-MGPQQGTHSA-N 2 0 240.391 1.970 20 0 BDADRP C([C@@H]1C[C@H]2C[C@H]2C1)[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000852750610 583016755 /nfs/dbraw/zinc/01/67/55/583016755.db2.gz ABGHAUJVJJIDEQ-CRWXNKLISA-N 2 0 220.360 1.860 20 0 BDADRP COc1ccc(C[NH2+]CC2=CC[N@H+](C)CC2)nc1 ZINC000893305882 583095918 /nfs/dbraw/zinc/09/59/18/583095918.db2.gz YUOFXAQHEBISKH-UHFFFAOYSA-N 2 0 247.342 1.442 20 0 BDADRP C/C=C\C[C@H](CO)[NH2+]CC1CC[NH+](C)CC1 ZINC000893662464 583190661 /nfs/dbraw/zinc/19/06/61/583190661.db2.gz XZMZYCVMCJTKSI-DHCBQETCSA-N 2 0 226.364 1.245 20 0 BDADRP C[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)[C@@H](C)CN1C ZINC000893668433 583192095 /nfs/dbraw/zinc/19/20/95/583192095.db2.gz FJVUPDOEYQSXKL-OLZOCXBDSA-N 2 0 239.407 1.353 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000857085133 588886395 /nfs/dbraw/zinc/88/63/95/588886395.db2.gz ISSPPPGFTYXYQS-OLZOCXBDSA-N 2 0 225.380 1.319 20 0 BDADRP CC[C@H]1C[N@H+](CC2CC[NH+](C)CC2)CCCO1 ZINC000894246360 583389705 /nfs/dbraw/zinc/38/97/05/583389705.db2.gz RUGYYXQALSSZJY-AWEZNQCLSA-N 2 0 240.391 1.829 20 0 BDADRP C[NH+]1CCC(C[NH+]2CC3(C2)CCOC3)CC1 ZINC000894649588 583500008 /nfs/dbraw/zinc/50/00/08/583500008.db2.gz PUCLEWRJAHUWLU-UHFFFAOYSA-N 2 0 224.348 1.051 20 0 BDADRP COCC[C@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000894894735 583549174 /nfs/dbraw/zinc/54/91/74/583549174.db2.gz NHWYQIIIVBLBMO-FUDCBSFHSA-N 2 0 240.391 1.874 20 0 BDADRP COCC[C@H](C)C[NH2+]CC1CC[NH+](C)CC1 ZINC000894893110 583549402 /nfs/dbraw/zinc/54/94/02/583549402.db2.gz DOQJIJPLPVOKEV-LBPRGKRZSA-N 2 0 228.380 1.590 20 0 BDADRP Cc1ncoc1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000894968940 583560504 /nfs/dbraw/zinc/56/05/04/583560504.db2.gz ZQAZEKYPQKAWJR-UHFFFAOYSA-N 2 0 237.347 1.947 20 0 BDADRP c1cc2c(ncnc2N[C@@H]2Cc3cncn3C2)[nH]1 ZINC000894995285 583566024 /nfs/dbraw/zinc/56/60/24/583566024.db2.gz AMDFOQDHMGVUPC-MRVPVSSYSA-N 2 0 240.270 1.191 20 0 BDADRP C[C@H]1OCC[C@@H]1[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000335064902 583605322 /nfs/dbraw/zinc/60/53/22/583605322.db2.gz XLWNWGJQAXRZPG-YGRLFVJLSA-N 2 0 232.327 1.557 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@H]2COC(C)(C)O2)C1 ZINC000895207698 583626127 /nfs/dbraw/zinc/62/61/27/583626127.db2.gz DJCZHFNTUUBFFJ-TUAOUCFPSA-N 2 0 242.363 1.068 20 0 BDADRP Cc1ncoc1CNCC[C@@H](C)[NH+](C)C ZINC000895290820 583637432 /nfs/dbraw/zinc/63/74/32/583637432.db2.gz UNLLDUQIEDUEEH-SECBINFHSA-N 2 0 211.309 1.413 20 0 BDADRP C[C@@H](CCNCc1cn(C)nc1Cl)[NH+](C)C ZINC000895290842 583637833 /nfs/dbraw/zinc/63/78/33/583637833.db2.gz UUKJTFOHYWRXSI-VIFPVBQESA-N 2 0 244.770 1.503 20 0 BDADRP c1cc(C[NH2+]CCCC[NH+]2CCOCC2)co1 ZINC000727467114 583655754 /nfs/dbraw/zinc/65/57/54/583655754.db2.gz NEMCPNXMXYYJCH-UHFFFAOYSA-N 2 0 238.331 1.482 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2C[C@H]3COC[C@]3(C)C2)CC1 ZINC000895386800 583663322 /nfs/dbraw/zinc/66/33/22/583663322.db2.gz YCCILGUTEXEEBY-KBPBESRZSA-N 2 0 238.375 1.297 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CC[C@H]3C[C@H]3C2)CC1 ZINC000895435104 583673050 /nfs/dbraw/zinc/67/30/50/583673050.db2.gz XPZXTTKRPUAXHY-STQMWFEESA-N 2 0 208.349 1.670 20 0 BDADRP Cc1cc(NCc2cc(N(C)C)cc[nH+]2)cc[nH+]1 ZINC000895471257 583680043 /nfs/dbraw/zinc/68/00/43/583680043.db2.gz MPOMBKBCVHLSLZ-UHFFFAOYSA-N 2 0 242.326 1.885 20 0 BDADRP C[C@H]1[C@@H](Nc2nccc(N(C)C)n2)CC[N@@H+]1C ZINC000895740215 583714414 /nfs/dbraw/zinc/71/44/14/583714414.db2.gz MKVVPFJSCMBDLQ-UWVGGRQHSA-N 2 0 235.335 1.047 20 0 BDADRP C[N@@H+]1CC[C@@H]1CNc1nc(N)[nH+]c2c1CCCC2 ZINC000895768252 583724151 /nfs/dbraw/zinc/72/41/51/583724151.db2.gz AOLMQMHBYJHIQM-SECBINFHSA-N 2 0 247.346 1.054 20 0 BDADRP CCO[C@H](CNc1cc[nH+]c(C)c1)C[NH+](C)C ZINC000896117475 583772386 /nfs/dbraw/zinc/77/23/86/583772386.db2.gz VFRVWMOCHKUUKC-CYBMUJFWSA-N 2 0 237.347 1.191 20 0 BDADRP C[C@@H]1[C@@H]([NH2+]CCC[C@@H]2CCO2)CCN1C ZINC000896555112 583811831 /nfs/dbraw/zinc/81/18/31/583811831.db2.gz MLEHJOCZJKFYAX-UTUOFQBUSA-N 2 0 212.337 1.238 20 0 BDADRP CC[C@H](C)[C@H](C[NH2+][C@H]1CCN(C)[C@@H]1C)OC ZINC000896555178 583812267 /nfs/dbraw/zinc/81/22/67/583812267.db2.gz NYOVFGXKYANQCK-RNJOBUHISA-N 2 0 228.380 1.730 20 0 BDADRP C[C@@H]1CC[N@H+](CC2CC[NH+](C)CC2)CCO1 ZINC000896577909 583814771 /nfs/dbraw/zinc/81/47/71/583814771.db2.gz DKBQPSPSBZBSKL-GFCCVEGCSA-N 2 0 226.364 1.439 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@H](CO)C2CC2)CC1(C)C ZINC000858138069 588934871 /nfs/dbraw/zinc/93/48/71/588934871.db2.gz NJIVFFUGAJVKIN-NWDGAFQWSA-N 2 0 226.364 1.220 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+][C@@H](CO)C2CC2)CC1(C)C ZINC000858138068 588935141 /nfs/dbraw/zinc/93/51/41/588935141.db2.gz NJIVFFUGAJVKIN-NEPJUHHUSA-N 2 0 226.364 1.220 20 0 BDADRP Cc1cc(N2C[C@H]3C[NH+](C)C[C@@]3(C)C2)cc[nH+]1 ZINC000896912664 583853565 /nfs/dbraw/zinc/85/35/65/583853565.db2.gz CDSHCYBTVUOMNY-OCCSQVGLSA-N 2 0 231.343 1.778 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C1 ZINC000250661911 583963871 /nfs/dbraw/zinc/96/38/71/583963871.db2.gz YXXJCERVRPLCDC-MGPQQGTHSA-N 2 0 240.391 1.875 20 0 BDADRP CC1CC[NH+](CCNc2cc[nH+]c(CO)c2)CC1 ZINC000858348698 588947575 /nfs/dbraw/zinc/94/75/75/588947575.db2.gz DNFKFMKNUGSUFE-UHFFFAOYSA-N 2 0 249.358 1.718 20 0 BDADRP C[C@@H]1C[C@@H]1NC(=[NH2+])NCCCC[N@H+](C)C1CC1 ZINC000864465569 584008303 /nfs/dbraw/zinc/00/83/03/584008303.db2.gz AADGIMUGXMECMU-PWSUYJOCSA-N 2 0 238.379 1.383 20 0 BDADRP C[C@H]1C[C@@H]1NC(=[NH2+])NCCCC[N@H+](C)C1CC1 ZINC000864465568 584008370 /nfs/dbraw/zinc/00/83/70/584008370.db2.gz AADGIMUGXMECMU-JQWIXIFHSA-N 2 0 238.379 1.383 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@H](Nc2cc[nH+]c(CO)c2)C1 ZINC000858436737 588954677 /nfs/dbraw/zinc/95/46/77/588954677.db2.gz OPTIHRWNVYPXNI-SMDDNHRTSA-N 2 0 249.358 1.859 20 0 BDADRP C[C@@H]1C[C@@H](Nc2cc[nH+]c(CO)c2)C[N@@H+]1C1CC1 ZINC000858441382 588954836 /nfs/dbraw/zinc/95/48/36/588954836.db2.gz PWRQIYLPZMTPQC-ZYHUDNBSSA-N 2 0 247.342 1.611 20 0 BDADRP Cc1cc(NC[C@@H](C2CC2)[NH+](C)C)nc(N)[nH+]1 ZINC000730107125 584123891 /nfs/dbraw/zinc/12/38/91/584123891.db2.gz XOVRTPXODSJANC-JTQLQIEISA-N 2 0 235.335 1.119 20 0 BDADRP C[C@H](CNC(=[NH2+])N[C@@H](C)C1CC1)[NH+]1CCCC1 ZINC000899266751 584190213 /nfs/dbraw/zinc/19/02/13/584190213.db2.gz XDVYWGKVPNWTIT-MNOVXSKESA-N 2 0 238.379 1.383 20 0 BDADRP C[C@@H](NC(=[NH2+])NCCN1CC=CCC1)C1CC1 ZINC000899271893 584191426 /nfs/dbraw/zinc/19/14/26/584191426.db2.gz RXCKJPUBOGOISN-LLVKDONJSA-N 2 0 236.363 1.161 20 0 BDADRP C[C@@H]([NH3+])c1ccc(-c2cnn(C)c2C[NH3+])cc1F ZINC000899324425 584196575 /nfs/dbraw/zinc/19/65/75/584196575.db2.gz ZKUDBHFKLCMMBP-MRVPVSSYSA-N 2 0 248.305 1.705 20 0 BDADRP CC(C)(C)[C@H]([NH3+])Cc1nc([C@@H]2CCC[NH2+]2)no1 ZINC000900009415 584264983 /nfs/dbraw/zinc/26/49/83/584264983.db2.gz GILUUIPDDCGLEP-DTWKUNHWSA-N 2 0 238.335 1.410 20 0 BDADRP [NH3+][C@@H]1CCCC[C@@H]1c1nc([C@H]2CCC[NH2+]2)no1 ZINC000900010376 584265187 /nfs/dbraw/zinc/26/51/87/584265187.db2.gz QPTMOHZGEXTWRA-IVZWLZJFSA-N 2 0 236.319 1.479 20 0 BDADRP C1C[NH2+][C@H](c2noc(C34CCC(CC3)[NH2+]4)n2)C1 ZINC000900010380 584265499 /nfs/dbraw/zinc/26/54/99/584265499.db2.gz QQQZZSZSZDQECN-XEVUQIKYSA-N 2 0 234.303 1.235 20 0 BDADRP C[C@H](CN[C@@H]1CC[NH2+]CC(C)(C)C1)[NH+](C)C ZINC000902316177 584556023 /nfs/dbraw/zinc/55/60/23/584556023.db2.gz FGLZAIZUCLTQHC-VXGBXAGGSA-N 2 0 227.396 1.304 20 0 BDADRP CO[C@@H](C)CC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902349273 584559883 /nfs/dbraw/zinc/55/98/83/584559883.db2.gz YNLPJJJEKHHCQP-NWDGAFQWSA-N 2 0 228.380 1.779 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2C=C[C@H](CO)C2)C1 ZINC000902360682 584571462 /nfs/dbraw/zinc/57/14/62/584571462.db2.gz LYCCNSPKQCMNMT-XQQFMLRXSA-N 2 0 238.375 1.291 20 0 BDADRP CC(C)[C@](C)(O)C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902362116 584571955 /nfs/dbraw/zinc/57/19/55/584571955.db2.gz WBFVEXVHASJQIE-TZMCWYRMSA-N 2 0 242.407 1.761 20 0 BDADRP CC(C)[C@](C)(O)C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902362113 584572475 /nfs/dbraw/zinc/57/24/75/584572475.db2.gz WBFVEXVHASJQIE-GXTWGEPZSA-N 2 0 242.407 1.761 20 0 BDADRP C[C@@H]([NH2+]CC1([NH3+])CC1)C1CCSCC1 ZINC000902406516 584573874 /nfs/dbraw/zinc/57/38/74/584573874.db2.gz NHEDHFNKLYBETD-SECBINFHSA-N 2 0 214.378 1.599 20 0 BDADRP [NH3+]C1(CN[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000902409193 584575845 /nfs/dbraw/zinc/57/58/45/584575845.db2.gz IZBFFYGNYLIPNG-OLZOCXBDSA-N 2 0 237.391 1.236 20 0 BDADRP [NH3+]CCC[C@H]([NH2+]CC1([NH3+])CC1)c1ccccc1 ZINC000902410657 584576249 /nfs/dbraw/zinc/57/62/49/584576249.db2.gz RTPNPNBDRSRZAE-ZDUSSCGKSA-N 3 0 233.359 1.548 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902384510 584577627 /nfs/dbraw/zinc/57/76/27/584577627.db2.gz LQCSRMWVXSXQSN-STQMWFEESA-N 2 0 242.407 1.619 20 0 BDADRP C[C@@H](CCO)CC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902387270 584579495 /nfs/dbraw/zinc/57/94/95/584579495.db2.gz IXRBISYNBOBVDU-CHWSQXEVSA-N 2 0 242.407 1.763 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)O1 ZINC000902390033 584581367 /nfs/dbraw/zinc/58/13/67/584581367.db2.gz FSCPPWAOCNERAK-JHJVBQTASA-N 2 0 240.391 1.922 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H](NCC[NH2+]C2CC2)C1 ZINC000902392149 584582461 /nfs/dbraw/zinc/58/24/61/584582461.db2.gz FNANKCIOZSLMIO-GFCCVEGCSA-N 2 0 225.380 1.106 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902392541 584583296 /nfs/dbraw/zinc/58/32/96/584583296.db2.gz JHYYFNHMBHDIEU-VXGBXAGGSA-N 2 0 227.396 1.338 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H](NC[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000902394337 584584554 /nfs/dbraw/zinc/58/45/54/584584554.db2.gz VDTRDNQLEWORBE-TUAOUCFPSA-N 2 0 243.370 1.054 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902401000 584587411 /nfs/dbraw/zinc/58/74/11/584587411.db2.gz ZCVVUCGVUOGTQZ-CHWSQXEVSA-N 2 0 241.423 1.728 20 0 BDADRP NOCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000902415712 584589814 /nfs/dbraw/zinc/58/98/14/584589814.db2.gz POVDKSJEYARRCI-FRRDWIJNSA-N 2 0 241.379 1.167 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)[C@H]1CCC[NH2+]1 ZINC000902434317 584595929 /nfs/dbraw/zinc/59/59/29/584595929.db2.gz NIIUIRRMJCXAPN-FQUUOJAGSA-N 2 0 240.391 1.658 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000902433292 584596200 /nfs/dbraw/zinc/59/62/00/584596200.db2.gz ZWSKIHFKESQAFV-RVMXOQNASA-N 2 0 226.364 1.397 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)C1C[NH2+]C1 ZINC000902434886 584596719 /nfs/dbraw/zinc/59/67/19/584596719.db2.gz POMVYXZCNMFYKC-GVXVVHGQSA-N 2 0 226.364 1.125 20 0 BDADRP CC1(C)C[NH2+]C[C@H]1N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000902442531 584597650 /nfs/dbraw/zinc/59/76/50/584597650.db2.gz JDLAWKKMODTZDV-IJLUTSLNSA-N 2 0 239.407 1.480 20 0 BDADRP CC1(C)C[NH2+]C[C@@H]1N[C@@H]1CC[NH2+]C12CCCC2 ZINC000902443561 584598570 /nfs/dbraw/zinc/59/85/70/584598570.db2.gz LCGDOPLZGJVNGV-NEPJUHHUSA-N 2 0 237.391 1.249 20 0 BDADRP CC1(C)C[NH2+]C[C@@H]1NC1CC[NH+](C2CC2)CC1 ZINC000902445551 584598820 /nfs/dbraw/zinc/59/88/20/584598820.db2.gz QAANAQGWQCXZMF-ZDUSSCGKSA-N 2 0 237.391 1.201 20 0 BDADRP CC1(C)C[NH2+]C[C@@H]1N[C@@H]1CCCCC[C@H]1[NH3+] ZINC000902444787 584599058 /nfs/dbraw/zinc/59/90/58/584599058.db2.gz OTBHRVZPVSFIMR-UTUOFQBUSA-N 2 0 225.380 1.234 20 0 BDADRP [NH3+]C1(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)CC1 ZINC000902413294 584599433 /nfs/dbraw/zinc/59/94/33/584599433.db2.gz JQEKYOFGLWMHGR-UTLUCORTSA-N 2 0 244.429 1.447 20 0 BDADRP [NH3+]C1(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)CC1 ZINC000902413292 584599450 /nfs/dbraw/zinc/59/94/50/584599450.db2.gz JQEKYOFGLWMHGR-OPRDCNLKSA-N 2 0 244.429 1.447 20 0 BDADRP C(N[C@H]1CC[NH2+]C12CCC2)[C@@H]1CCCCC[NH2+]1 ZINC000902474855 584602872 /nfs/dbraw/zinc/60/28/72/584602872.db2.gz FZJPHIRRMSOTQI-STQMWFEESA-N 2 0 237.391 1.393 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@@H]1CCCOC1 ZINC000902475379 584603040 /nfs/dbraw/zinc/60/30/40/584603040.db2.gz JXWYRRHPYOPFKK-CKIKVBCHSA-N 2 0 224.348 1.284 20 0 BDADRP C[C@@H](N[C@@H]1C[NH2+]CC1(C)C)c1c[nH+]ccc1N ZINC000902447230 584604475 /nfs/dbraw/zinc/60/44/75/584604475.db2.gz XLYLXDNHIJAUDV-BXKDBHETSA-N 2 0 234.347 1.143 20 0 BDADRP CC[N@@H+]1CC[C@H](N[C@@H]2C[NH2+]CC2(C)C)[C@H](C)C1 ZINC000902447806 584604507 /nfs/dbraw/zinc/60/45/07/584604507.db2.gz VVJSTBOJIUJOHJ-FRRDWIJNSA-N 2 0 239.407 1.304 20 0 BDADRP C[C@@H](CCCCO)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902449467 584606079 /nfs/dbraw/zinc/60/60/79/584606079.db2.gz OUSBHBJGWHEQBT-QWRGUYRKSA-N 2 0 214.353 1.125 20 0 BDADRP CC1(C)C[NH2+]C[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000902450400 584606294 /nfs/dbraw/zinc/60/62/94/584606294.db2.gz RWTPPJJKMYPJLA-XQQFMLRXSA-N 2 0 237.391 1.201 20 0 BDADRP C[C@@H]1C[C@@H](N[C@@H]2C[NH2+]CC2(C)C)CC[N@@H+]1C ZINC000902449776 584606470 /nfs/dbraw/zinc/60/64/70/584606470.db2.gz QDURAGXNBVTIKL-GRYCIOLGSA-N 2 0 225.380 1.057 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902452884 584608298 /nfs/dbraw/zinc/60/82/98/584608298.db2.gz MZTXEPRHXLVACS-QKFSQAGISA-N 2 0 224.348 1.269 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000902455835 584609324 /nfs/dbraw/zinc/60/93/24/584609324.db2.gz NEGHSZJJIWHJFS-QCNOEVLYSA-N 2 0 208.349 1.905 20 0 BDADRP C[C@H]1CC[NH2+]C[C@H]1NCC[N@@H+]1CCC(C)(C)C1 ZINC000902456385 584610308 /nfs/dbraw/zinc/61/03/08/584610308.db2.gz OMMUHHKQWYTZDT-QWHCGFSZSA-N 2 0 239.407 1.306 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@@H]2CCC[C@@H]12)[C@@H]1CCC[NH2+]1 ZINC000902456434 584610418 /nfs/dbraw/zinc/61/04/18/584610418.db2.gz OZEDXLKNYFJKSH-IEECTRCBSA-N 2 0 208.349 1.905 20 0 BDADRP CC1(C)CC[N@H+](CCN[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000902458469 584610753 /nfs/dbraw/zinc/61/07/53/584610753.db2.gz XZWKVUXLJFABJL-GFCCVEGCSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCCC(C)(C)O1)C1C[NH2+]C1 ZINC000902461541 584611424 /nfs/dbraw/zinc/61/14/24/584611424.db2.gz ONERMZIBKQHWCE-JQWIXIFHSA-N 2 0 226.364 1.532 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC000902466917 584614662 /nfs/dbraw/zinc/61/46/62/584614662.db2.gz ORHZDBKDPSJOPQ-NJMOYASZSA-N 2 0 224.348 1.427 20 0 BDADRP CC(C)[NH+]1CCC(N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC000902469639 584615459 /nfs/dbraw/zinc/61/54/59/584615459.db2.gz ZKBZNVGHORJTHC-BFHYXJOUSA-N 2 0 237.391 1.342 20 0 BDADRP CC[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)[C@H]1CCOC1 ZINC000902489991 584617265 /nfs/dbraw/zinc/61/72/65/584617265.db2.gz QOQXMYWDQDJPIL-BJDJZHNGSA-N 2 0 212.337 1.128 20 0 BDADRP O[C@H](CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000902505850 584621205 /nfs/dbraw/zinc/62/12/05/584621205.db2.gz VMGRNIVAOALBCV-XJFOESAGSA-N 2 0 238.375 1.125 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@H](O)C1CC1 ZINC000902505428 584621262 /nfs/dbraw/zinc/62/12/62/584621262.db2.gz SHGOSSYFIUVSFH-VZANTVGXSA-N 2 0 238.375 1.253 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CC[C@@H](O)C1CC1 ZINC000902505846 584621411 /nfs/dbraw/zinc/62/14/11/584621411.db2.gz VFMKTVWXUVRPNH-ZYHUDNBSSA-N 2 0 214.353 1.255 20 0 BDADRP C[C@H](NC[C@H]1CCCCC[NH2+]1)[C@H]1CCC[NH2+]1 ZINC000902481362 584623182 /nfs/dbraw/zinc/62/31/82/584623182.db2.gz CBPRKERMWJBNHT-YNEHKIRRSA-N 2 0 225.380 1.249 20 0 BDADRP COCCC[C@H](C)[NH2+]C[C@@H]1CCCCC[NH2+]1 ZINC000902481953 584624111 /nfs/dbraw/zinc/62/41/11/584624111.db2.gz IPYXPEKUAFNEQI-STQMWFEESA-N 2 0 228.380 1.923 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCC[NH2+]2)CCO1 ZINC000902481546 584624294 /nfs/dbraw/zinc/62/42/94/584624294.db2.gz DKYJQWQVHZRUEV-FRRDWIJNSA-N 2 0 226.364 1.676 20 0 BDADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H]2CC[C@H]2C2CCC2)C1 ZINC000902484188 584624592 /nfs/dbraw/zinc/62/45/92/584624592.db2.gz FJVAJHHVEMSSOJ-BQUFFADESA-N 2 0 208.349 1.892 20 0 BDADRP COc1cccc(C[C@@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)n1 ZINC000902483798 584624932 /nfs/dbraw/zinc/62/49/32/584624932.db2.gz CEHSCVCBCOMBCP-NQBHXWOUSA-N 2 0 249.358 1.348 20 0 BDADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902485922 584625545 /nfs/dbraw/zinc/62/55/45/584625545.db2.gz BJSMQMLPNIEVFP-NQBHXWOUSA-N 2 0 248.374 1.237 20 0 BDADRP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)[C@@H]1CCCOC1 ZINC000902486562 584626044 /nfs/dbraw/zinc/62/60/44/584626044.db2.gz QUGZNGDTQYNUKP-DDHJBXDOSA-N 2 0 212.337 1.128 20 0 BDADRP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cccc(CO)c1 ZINC000902488692 584627435 /nfs/dbraw/zinc/62/74/35/584627435.db2.gz MJJFDLUBIDBHTP-MPKXVKKWSA-N 2 0 234.343 1.567 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C1 ZINC000902488506 584627441 /nfs/dbraw/zinc/62/74/41/584627441.db2.gz YTEBXGVVSKSJJQ-FIQHERPVSA-N 2 0 212.337 1.271 20 0 BDADRP c1cc([C@@H]([NH2+]C2CC[NH2+]CC2)C2CC2)ccn1 ZINC000902514792 584629664 /nfs/dbraw/zinc/62/96/64/584629664.db2.gz QDBOYHYZHJZGRU-AWEZNQCLSA-N 2 0 231.343 1.874 20 0 BDADRP [NH3+]C1CCC([NH2+][C@@H]2COC[C@@H]2C2CC2)CC1 ZINC000902516002 584630323 /nfs/dbraw/zinc/63/03/23/584630323.db2.gz BNIXDUQNDLDMJR-FIYWTHMPSA-N 2 0 224.348 1.271 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1COC[C@@H]1C1CC1 ZINC000902517536 584630402 /nfs/dbraw/zinc/63/04/02/584630402.db2.gz JBVCWMMCCFPNHV-ZZVYKPCYSA-N 2 0 238.375 1.389 20 0 BDADRP C[C@@H]([NH2+]CCOC1CCSCC1)C1C[NH2+]C1 ZINC000902519459 584630621 /nfs/dbraw/zinc/63/06/21/584630621.db2.gz ZNLGMCXSGJHGEP-SNVBAGLBSA-N 2 0 244.404 1.096 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1COC[C@H]1C1CC1 ZINC000902518428 584630826 /nfs/dbraw/zinc/63/08/26/584630826.db2.gz LCOZYAZPXHWGBE-XDQVBPFNSA-N 2 0 238.375 1.519 20 0 BDADRP Cl/C=C\C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000902522826 584632087 /nfs/dbraw/zinc/63/20/87/584632087.db2.gz YMTKZGAPOPLUJC-CYQDYDNASA-N 2 0 244.766 1.486 20 0 BDADRP C[NH+](C)CCC[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902720017 584659239 /nfs/dbraw/zinc/65/92/39/584659239.db2.gz BUDYYRPYWKBJQO-ODXJTPSBSA-N 2 0 238.375 1.341 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@H]1CCC[C@H]1OC ZINC000903067370 584723420 /nfs/dbraw/zinc/72/34/20/584723420.db2.gz SEORFMNHNWIYRG-QWHCGFSZSA-N 2 0 244.379 1.112 20 0 BDADRP CC[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C)[C@H]2C)[C@H](C)C1 ZINC000903302884 584745409 /nfs/dbraw/zinc/74/54/09/584745409.db2.gz HJKBOWIGJPBIIA-ZOBORPQBSA-N 2 0 239.407 1.399 20 0 BDADRP CN1CC[C@H]1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000903316718 584750082 /nfs/dbraw/zinc/75/00/82/584750082.db2.gz QNMNUVMJQCSPDP-NEPJUHHUSA-N 2 0 225.380 1.153 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)C1 ZINC000903431067 584761819 /nfs/dbraw/zinc/76/18/19/584761819.db2.gz LBFLFIUNXYLITL-YNEHKIRRSA-N 2 0 248.374 1.717 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)C1Cc2ccccc2C1 ZINC000903433090 584762189 /nfs/dbraw/zinc/76/21/89/584762189.db2.gz UCVHWDSTHRGHOS-DOMZBBRYSA-N 2 0 244.382 1.941 20 0 BDADRP CCCN(C[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CC[NH2+]C1 ZINC000903422366 584764056 /nfs/dbraw/zinc/76/40/56/584764056.db2.gz ADVJHHOVUFPWJA-AGIUHOORSA-N 2 0 225.380 1.188 20 0 BDADRP [NH3+]C[C@H]1CCCN1C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000903424868 584765191 /nfs/dbraw/zinc/76/51/91/584765191.db2.gz JTQWTQIPKHGDIS-CHWFTXMASA-N 2 0 230.302 1.701 20 0 BDADRP CC[C@@](C)(CC(=O)OC)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903459514 584766115 /nfs/dbraw/zinc/76/61/15/584766115.db2.gz UWSRAEREUJYRLN-MDZLAQPJSA-N 2 0 242.363 1.163 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@H](c3cccnc3)C2)C1 ZINC000903460781 584766712 /nfs/dbraw/zinc/76/67/12/584766712.db2.gz HZWLLGBIGHNDPJ-AEGPPILISA-N 2 0 245.370 1.998 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCCC[C@H]1CCO ZINC000903463980 584767632 /nfs/dbraw/zinc/76/76/32/584767632.db2.gz VLKPZRLMCKXJOG-AGIUHOORSA-N 2 0 226.364 1.079 20 0 BDADRP COC[C@H](C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1)C(C)C ZINC000903464589 584771793 /nfs/dbraw/zinc/77/17/93/584771793.db2.gz SRAPFVQBMYUROL-BFHYXJOUSA-N 2 0 240.391 1.718 20 0 BDADRP C[C@@H](c1ncccn1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000903452443 584771889 /nfs/dbraw/zinc/77/18/89/584771889.db2.gz MHDYSGOMMLJRJQ-LBPRGKRZSA-N 2 0 246.358 1.613 20 0 BDADRP C[C@H](c1ncccn1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000903450340 584771933 /nfs/dbraw/zinc/77/19/33/584771933.db2.gz UGEJTQJGZOJRBF-NEPJUHHUSA-N 2 0 234.347 1.598 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H](C)CN1C ZINC000903454415 584773099 /nfs/dbraw/zinc/77/30/99/584773099.db2.gz BOOMMDSWPMSUFG-LPWJVIDDSA-N 2 0 225.380 1.138 20 0 BDADRP CC[N@@H+]1C[C@@H](C)N(C[C@@H]2C[NH2+]C[C@H]2C)C[C@H]1C ZINC000903454592 584773233 /nfs/dbraw/zinc/77/32/33/584773233.db2.gz DLXACHGKPMZAHA-SYQHCUMBSA-N 2 0 239.407 1.256 20 0 BDADRP C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)OC1CC1 ZINC000903454453 584773732 /nfs/dbraw/zinc/77/37/32/584773732.db2.gz ZWSXQYQELAFJEZ-TZMCWYRMSA-N 2 0 238.375 1.629 20 0 BDADRP COC[C@@H](C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C)C(C)C ZINC000903455369 584774207 /nfs/dbraw/zinc/77/42/07/584774207.db2.gz VXMGPVUWCBEYEA-TUAOUCFPSA-N 2 0 214.353 1.327 20 0 BDADRP OCCCCCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903468850 584774975 /nfs/dbraw/zinc/77/49/75/584774975.db2.gz OUPXQMRXCQQJHA-GFCCVEGCSA-N 2 0 226.364 1.413 20 0 BDADRP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903470824 584775225 /nfs/dbraw/zinc/77/52/25/584775225.db2.gz DQASAXPLQCYSKG-GRYCIOLGSA-N 2 0 208.349 1.907 20 0 BDADRP [NH3+][C@@H]1CC[C@H](CN2CCC[C@@H]3C[NH2+]CC[C@@H]32)C1 ZINC000903475713 584776645 /nfs/dbraw/zinc/77/66/45/584776645.db2.gz BBJSBWMCBYBGMH-DGAVXFQQSA-N 2 0 237.391 1.188 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000903476309 584777175 /nfs/dbraw/zinc/77/71/75/584777175.db2.gz UGXJDEFBVZWLFG-FVCCEPFGSA-N 2 0 240.416 1.527 20 0 BDADRP C[C@@H](F)CC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903481828 584778362 /nfs/dbraw/zinc/77/83/62/584778362.db2.gz NWLCDMJDRBXVJS-MNOVXSKESA-N 2 0 214.328 1.999 20 0 BDADRP C[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1CC[NH3+] ZINC000903499734 584779965 /nfs/dbraw/zinc/77/99/65/584779965.db2.gz MUOREZJBFAIVKY-NXEZZACHSA-N 2 0 236.306 1.185 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H]1CC[NH3+] ZINC000903498665 584780331 /nfs/dbraw/zinc/78/03/31/584780331.db2.gz AHYNYSQLXJJHBA-HZSPNIEDSA-N 3 0 239.407 1.293 20 0 BDADRP C[NH2+]C[C@@H]1CCCCN1CC1CC[NH2+]CC1 ZINC000903528245 584781716 /nfs/dbraw/zinc/78/17/16/584781716.db2.gz FYFUBCXUAPJJQO-ZDUSSCGKSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@@H]1CN(C[C@H]2CCCC[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC000903716405 584791799 /nfs/dbraw/zinc/79/17/99/584791799.db2.gz MFAPBUVZYMANDY-UPJWGTAASA-N 2 0 225.380 1.058 20 0 BDADRP CC[N@H+](CC1CC1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903729914 584793166 /nfs/dbraw/zinc/79/31/66/584793166.db2.gz SNEOCYLGMWXTJK-KGLIPLIRSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@@H](O)CC[N@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000903730443 584793173 /nfs/dbraw/zinc/79/31/73/584793173.db2.gz WHFFVTWEJIZAGE-VXGBXAGGSA-N 2 0 214.353 1.079 20 0 BDADRP [NH3+]C[C@H]1CCCN(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903712852 584793760 /nfs/dbraw/zinc/79/37/60/584793760.db2.gz AHWURRCVQUOMIB-CHWSQXEVSA-N 2 0 225.380 1.047 20 0 BDADRP CC(C)[C@H]1CN(C[C@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC000903745817 584794213 /nfs/dbraw/zinc/79/42/13/584794213.db2.gz RTNNEMFVXSIJPF-UONOGXRCSA-N 2 0 239.407 1.306 20 0 BDADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C[C@@H]1CCCC[NH2+]C1 ZINC000903745860 584794309 /nfs/dbraw/zinc/79/43/09/584794309.db2.gz APDVACPDJBTZFB-AGIUHOORSA-N 2 0 243.370 1.008 20 0 BDADRP C([C@@H]1CCCC[NH2+]C1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000903761004 584797307 /nfs/dbraw/zinc/79/73/07/584797307.db2.gz MQSQTKVSRBBXSE-ZIAGYGMSSA-N 2 0 237.391 1.204 20 0 BDADRP COCC[NH2+]C1CC[NH+](CC2CC(C)C2)CC1 ZINC000903764534 584797340 /nfs/dbraw/zinc/79/73/40/584797340.db2.gz UJXOWQMRCCJNKF-UHFFFAOYSA-N 2 0 240.391 1.733 20 0 BDADRP CC(C)[C@@H]1C[NH2+]CCN1C[C@H]1CCCC[NH2+]C1 ZINC000903769786 584798296 /nfs/dbraw/zinc/79/82/96/584798296.db2.gz ODDYCSFAWVEVQY-KBPBESRZSA-N 2 0 239.407 1.306 20 0 BDADRP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[NH+](C1CC1)C1CC1 ZINC000903770853 584798814 /nfs/dbraw/zinc/79/88/14/584798814.db2.gz ZLZSJFBOWTXBMB-UONOGXRCSA-N 2 0 236.359 1.382 20 0 BDADRP CC1(C)CC[NH2+]CCN1C[C@@H]1CCCC[NH2+]C1 ZINC000903778468 584799941 /nfs/dbraw/zinc/79/99/41/584799941.db2.gz NIAFRPXNFYSINU-CYBMUJFWSA-N 2 0 239.407 1.450 20 0 BDADRP CC1(C)CN(C[C@H]2CCCC[NH2+]C2)C[C@H]1[NH3+] ZINC000903786168 584800287 /nfs/dbraw/zinc/80/02/87/584800287.db2.gz FUXULMYEZXZCAV-NWDGAFQWSA-N 2 0 225.380 1.045 20 0 BDADRP CCN(C[C@H]1CCCC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000903783845 584800407 /nfs/dbraw/zinc/80/04/07/584800407.db2.gz FJDRYIOUFVJTKN-QWHCGFSZSA-N 2 0 225.380 1.060 20 0 BDADRP [NH3+]CCCCCCN1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903802079 584802217 /nfs/dbraw/zinc/80/22/17/584802217.db2.gz QXRHKQMLCQDAIF-ZIAGYGMSSA-N 2 0 239.407 1.709 20 0 BDADRP CC[C@H](O)C[N@@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903812622 584803568 /nfs/dbraw/zinc/80/35/68/584803568.db2.gz UUXIPDKBMFQJLJ-QWHCGFSZSA-N 2 0 240.391 1.741 20 0 BDADRP C[C@@H]1CSCCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000903829351 584805813 /nfs/dbraw/zinc/80/58/13/584805813.db2.gz DOHXCEPKLSUFAC-NEPJUHHUSA-N 2 0 228.405 1.813 20 0 BDADRP C[C@@H]1CC=CC[C@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000903850270 584808063 /nfs/dbraw/zinc/80/80/63/584808063.db2.gz NOKQXRCOYHZNSI-FRRDWIJNSA-N 2 0 208.349 1.930 20 0 BDADRP C[C@@H]1CC=CC[C@H]1[NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000903850173 584808237 /nfs/dbraw/zinc/80/82/37/584808237.db2.gz LNHXSKAFDOEEDD-FRRDWIJNSA-N 2 0 236.359 1.452 20 0 BDADRP NC[C@]12CC[C@@H]1CC[N@@H+]2CC[C@@H]1CCCO1 ZINC000903856542 584809363 /nfs/dbraw/zinc/80/93/63/584809363.db2.gz ABOKYPBBFDCKFI-FRRDWIJNSA-N 2 0 224.348 1.369 20 0 BDADRP NC[C@@]12CC[C@H]1CC[N@@H+]2CCCCCC[NH3+] ZINC000903861431 584812530 /nfs/dbraw/zinc/81/25/30/584812530.db2.gz WWOTYSPEAKZDJG-STQMWFEESA-N 2 0 225.380 1.319 20 0 BDADRP [NH3+]C[C@@]12CC[C@@H]1CCN2C[C@@H](O)c1ccccc1 ZINC000903863420 584813116 /nfs/dbraw/zinc/81/31/16/584813116.db2.gz LVBOHLAJUKZXOP-KFWWJZLASA-N 2 0 246.354 1.533 20 0 BDADRP CCCCN(CCOC)C[C@H]([NH3+])CC(F)F ZINC000903891809 584813754 /nfs/dbraw/zinc/81/37/54/584813754.db2.gz DJOWIPCTZVMJQN-SNVBAGLBSA-N 2 0 238.322 1.717 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000903870441 584814326 /nfs/dbraw/zinc/81/43/26/584814326.db2.gz HIWOVUOCLXVNEK-XQHKEYJVSA-N 2 0 240.416 1.527 20 0 BDADRP COC(=O)CCCCN1CCC[C@]12CC[NH2+]C2 ZINC000903871395 584815555 /nfs/dbraw/zinc/81/55/55/584815555.db2.gz UAEXBVIRJCMWQW-CYBMUJFWSA-N 2 0 240.347 1.158 20 0 BDADRP C[C@@H]1[C@H](C)NCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903873945 584816017 /nfs/dbraw/zinc/81/60/17/584816017.db2.gz OOMCYSUWHZMISF-PJIALRRASA-N 2 0 237.391 1.199 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903874248 584816225 /nfs/dbraw/zinc/81/62/25/584816225.db2.gz VYYOJEZEJOOPPW-RLAWYHOSSA-N 2 0 237.391 1.058 20 0 BDADRP C[C@@H](O)CC[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903895844 584819614 /nfs/dbraw/zinc/81/96/14/584819614.db2.gz QQOYONIGPMOBQR-ODWCKFRGSA-N 2 0 226.364 1.220 20 0 BDADRP CN(C[C@H]([NH3+])CC(F)F)[C@@H](CO)C(C)(C)C ZINC000903898177 584820017 /nfs/dbraw/zinc/82/00/17/584820017.db2.gz LNFMTFQBLFCSDQ-BDAKNGLRSA-N 2 0 238.322 1.308 20 0 BDADRP [NH3+]CC[C@H]1CCCN(C[C@H]([NH3+])CC(F)F)C1 ZINC000903905373 584821017 /nfs/dbraw/zinc/82/10/17/584821017.db2.gz DDSLUXZEOVSUTI-NXEZZACHSA-N 2 0 235.322 1.030 20 0 BDADRP C[C@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@@H]1O ZINC000903909298 584821488 /nfs/dbraw/zinc/82/14/88/584821488.db2.gz SVNLAMKSCBTAMS-WYTNZGFTSA-N 2 0 238.375 1.220 20 0 BDADRP CC(C)[C@@H]([NH3+])CNCc1cccc2c1CC[NH2+]C2 ZINC000903915303 584821786 /nfs/dbraw/zinc/82/17/86/584821786.db2.gz AEZPUEMBNUESOE-HNNXBMFYSA-N 2 0 247.386 1.405 20 0 BDADRP CCC([NH3+])(CC)CNC[C@@H]([NH3+])CC(F)F ZINC000903918338 584822445 /nfs/dbraw/zinc/82/24/45/584822445.db2.gz XASZOQHGLBUBBZ-QMMMGPOBSA-N 2 0 223.311 1.076 20 0 BDADRP CC[C@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1O ZINC000903912206 584822524 /nfs/dbraw/zinc/82/25/24/584822524.db2.gz BNMFNYKFELLIAB-HVUVFQHFSA-N 2 0 238.375 1.220 20 0 BDADRP C(C[C@H]1CC[NH2+]C1)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918449 584822656 /nfs/dbraw/zinc/82/26/56/584822656.db2.gz ZPQUYZDQPROSMX-RLAWYHOSSA-N 3 0 237.391 1.106 20 0 BDADRP [NH3+][C@@H](CC(F)F)CN1CCC2(CC[NH2+]C2)CC1 ZINC000903918357 584822743 /nfs/dbraw/zinc/82/27/43/584822743.db2.gz XPTHLKZJSSBPAJ-JTQLQIEISA-N 2 0 247.333 1.044 20 0 BDADRP COC(=O)c1cc(C[NH2+]CCC(C)(C)[NH3+])c[nH]1 ZINC000903939196 584823818 /nfs/dbraw/zinc/82/38/18/584823818.db2.gz UYDXXQGGBHDMPU-UHFFFAOYSA-N 2 0 239.319 1.018 20 0 BDADRP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000903930070 584824400 /nfs/dbraw/zinc/82/44/00/584824400.db2.gz RFEHMBKFGDDNJM-DKUMPPAJSA-N 3 0 249.402 1.345 20 0 BDADRP COC[C@H](CC(C)C)[NH2+]CCC(C)(C)[NH3+] ZINC000903939420 584825157 /nfs/dbraw/zinc/82/51/57/584825157.db2.gz GUYHQMLBJSUUHW-NSHDSACASA-N 2 0 216.369 1.765 20 0 BDADRP CC1(C)C[NH2+]CC[C@H](NC[C@@H]([NH3+])CC(F)F)C1 ZINC000903934882 584825800 /nfs/dbraw/zinc/82/58/00/584825800.db2.gz KCTCKJSBMRJCRT-UWVGGRQHSA-N 2 0 249.349 1.337 20 0 BDADRP C([NH2+][C@H]1CC[NH2+]C12CCC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903935113 584825876 /nfs/dbraw/zinc/82/58/76/584825876.db2.gz NGNKMPSYTBNNOF-GSPSYOTPSA-N 2 0 249.402 1.391 20 0 BDADRP C[C@@H]1CN[C@@H](C)C[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903917953 584826913 /nfs/dbraw/zinc/82/69/13/584826913.db2.gz PFODJWTZDCXGRX-PJIALRRASA-N 2 0 237.391 1.199 20 0 BDADRP CCCC[C@H](C[NH3+])NC[C@H]([NH3+])CC(F)F ZINC000903918206 584827236 /nfs/dbraw/zinc/82/72/36/584827236.db2.gz UZVCSEYFHYSDNH-RKDXNWHRSA-N 2 0 223.311 1.076 20 0 BDADRP C1=CCCC([NH2+]CC23CC(C2)C[NH2+]3)CC1 ZINC000903960012 584827707 /nfs/dbraw/zinc/82/77/07/584827707.db2.gz VATIGBDFWOIZAE-UHFFFAOYSA-N 2 0 206.333 1.827 20 0 BDADRP CC(C)C[C@H]([NH3+])CNCCC(C)(C)[NH3+] ZINC000903940102 584828683 /nfs/dbraw/zinc/82/86/83/584828683.db2.gz XAWKQBLELCYPRL-JTQLQIEISA-N 2 0 201.358 1.077 20 0 BDADRP C[C@@H](CC1CCOCC1)[NH2+]CCC(C)(C)[NH3+] ZINC000903939800 584828919 /nfs/dbraw/zinc/82/89/19/584828919.db2.gz MTTKWSPNQCRGSG-NSHDSACASA-N 2 0 228.380 1.909 20 0 BDADRP CC(C)([NH3+])CC[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000903941239 584829211 /nfs/dbraw/zinc/82/92/11/584829211.db2.gz SRIPHLBSIPDUMH-UHFFFAOYSA-N 2 0 235.331 1.003 20 0 BDADRP CCC1([NH3+])CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000903946335 584829578 /nfs/dbraw/zinc/82/95/78/584829578.db2.gz OLZOQJZOXDEJOL-UHFFFAOYSA-N 3 0 225.380 1.189 20 0 BDADRP CCC1([NH3+])CC[NH+](Cc2ccn(C)c2)CC1 ZINC000903948610 584830116 /nfs/dbraw/zinc/83/01/16/584830116.db2.gz SGBWXQAJQYXTAC-UHFFFAOYSA-N 2 0 221.348 1.728 20 0 BDADRP [NH3+]C1CCC([NH2+]Cc2cc(C3CC3)no2)CC1 ZINC000903955031 584832385 /nfs/dbraw/zinc/83/23/85/584832385.db2.gz YPODVKUUSRUIED-UHFFFAOYSA-N 2 0 235.331 1.912 20 0 BDADRP CC(C)[C@H]1C[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000903963663 584833365 /nfs/dbraw/zinc/83/33/65/584833365.db2.gz FAIQLWHBLKYYND-FDYHWXHSSA-N 2 0 226.364 1.388 20 0 BDADRP CC[C@H]1C[C@@H](C[NH2+][C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000903963715 584833641 /nfs/dbraw/zinc/83/36/41/584833641.db2.gz GQBSOCMSMBEXFO-MROQNXINSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+]C1CCSCC1 ZINC000903964720 584834286 /nfs/dbraw/zinc/83/42/86/584834286.db2.gz UORRZXMZRBLOLT-PSASIEDQSA-N 2 0 200.351 1.080 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1CCSCC1 ZINC000903967675 584835172 /nfs/dbraw/zinc/83/51/72/584835172.db2.gz KJUIRCJOBRDPTC-ZJUUUORDSA-N 2 0 214.378 1.327 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CN1CC[C@@H]([NH3+])C1 ZINC000904298708 584859998 /nfs/dbraw/zinc/85/99/98/584859998.db2.gz YEUAKWSKWUOQIP-GHMZBOCLSA-N 2 0 213.369 1.173 20 0 BDADRP C[C@@H]1CN(Cc2ccc(C[NH3+])cc2)C[C@@H](C)[NH2+]1 ZINC000904299387 584860059 /nfs/dbraw/zinc/86/00/59/584860059.db2.gz CDHIFPKIMQQXAO-VXGBXAGGSA-N 2 0 233.359 1.328 20 0 BDADRP C[C@@H]1C[NH2+]CCN1C[C@H]([NH3+])CCC(C)(C)C ZINC000904299860 584860590 /nfs/dbraw/zinc/86/05/90/584860590.db2.gz PSJBNUQMROVRDJ-VXGBXAGGSA-N 2 0 227.396 1.434 20 0 BDADRP CN(C[C@@H]([NH3+])CCC(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000904299675 584860709 /nfs/dbraw/zinc/86/07/09/584860709.db2.gz LLDCJPHEHBTSQI-NWDGAFQWSA-N 2 0 227.396 1.434 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904299764 584860739 /nfs/dbraw/zinc/86/07/39/584860739.db2.gz NSZHCTZACSXAQW-TZMCWYRMSA-N 3 0 239.407 1.435 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC000904299536 584860783 /nfs/dbraw/zinc/86/07/83/584860783.db2.gz GYKAFDJMQGTYBW-ZDUSSCGKSA-N 2 0 246.354 1.792 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(C[NH3+])cc2)CC1 ZINC000904299632 584860822 /nfs/dbraw/zinc/86/08/22/584860822.db2.gz KBBMLHPPNNGXOD-LBPRGKRZSA-N 3 0 247.386 1.705 20 0 BDADRP C[C@@H]1CN(C[C@@H]([NH3+])CCC(C)(C)C)CC[C@H]1[NH3+] ZINC000904299580 584860914 /nfs/dbraw/zinc/86/09/14/584860914.db2.gz IRHMIBFIUJJWDD-FRRDWIJNSA-N 2 0 241.423 1.809 20 0 BDADRP C[C@@H]1[NH2+]CCN(C[C@H]([NH3+])CCC(C)(C)C)[C@H]1C ZINC000904301162 584861182 /nfs/dbraw/zinc/86/11/82/584861182.db2.gz HYLUHZWCJWHZBB-RWMBFGLXSA-N 2 0 241.423 1.822 20 0 BDADRP C[NH2+]C[C@H]1CCCN1C[C@@H]([NH3+])CCC(C)(C)C ZINC000904300958 584861275 /nfs/dbraw/zinc/86/12/75/584861275.db2.gz CIBAVAWEXIZGOB-QWHCGFSZSA-N 2 0 241.423 1.824 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CN1CCC[C@@H](CO)C1 ZINC000904301317 584861454 /nfs/dbraw/zinc/86/14/54/584861454.db2.gz KKNKHZYJAODIIU-CHWSQXEVSA-N 2 0 242.407 1.844 20 0 BDADRP CC(C)[NH+]1CCC([N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904306899 584861967 /nfs/dbraw/zinc/86/19/67/584861967.db2.gz GUKUSYKKERYSQG-BETUJISGSA-N 3 0 239.407 1.528 20 0 BDADRP C[N@@H+](Cc1ccc(Cl)nc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904306698 584862114 /nfs/dbraw/zinc/86/21/14/584862114.db2.gz CZUKCSHXIXOQOS-PHIMTYICSA-N 2 0 239.750 1.904 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCO[C@H](c3ccccc3)C2)C1 ZINC000904307772 584862587 /nfs/dbraw/zinc/86/25/87/584862587.db2.gz WBIXKWLSSVFDQY-CFVMTHIKSA-N 2 0 246.354 1.797 20 0 BDADRP CCOC(=O)C[N@H+](CC(C)C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904309686 584863080 /nfs/dbraw/zinc/86/30/80/584863080.db2.gz PEHICBISWQSTKH-TXEJJXNPSA-N 2 0 242.363 1.245 20 0 BDADRP C[C@H](O)C[C@@H]1CCC[N@@H+]1C[C@@]1(C)CCC[NH2+]C1 ZINC000904321941 584864940 /nfs/dbraw/zinc/86/49/40/584864940.db2.gz KXNCWNHRFDHVNY-IHRRRGAJSA-N 2 0 240.391 1.611 20 0 BDADRP Cc1nnc([C@@H]2CCC[N@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)[nH]1 ZINC000904327573 584865219 /nfs/dbraw/zinc/86/52/19/584865219.db2.gz FPWCUXKJCBXQNM-UTUOFQBUSA-N 2 0 249.362 1.030 20 0 BDADRP C[C@H](O)[C@@H]1CC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904332577 584865855 /nfs/dbraw/zinc/86/58/55/584865855.db2.gz RXDDVOLJUBRIDT-XQQFMLRXSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@H](O)[C@@H]1CC[N@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904332865 584866220 /nfs/dbraw/zinc/86/62/20/584866220.db2.gz RXDDVOLJUBRIDT-YNEHKIRRSA-N 2 0 226.364 1.079 20 0 BDADRP Cc1ccc(C[N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)nc1 ZINC000904341028 584867182 /nfs/dbraw/zinc/86/71/82/584867182.db2.gz IIKCBSDCLKIVPZ-TXEJJXNPSA-N 2 0 219.332 1.559 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCOC[C@@H]2c2ccccc2)C1 ZINC000904341557 584867213 /nfs/dbraw/zinc/86/72/13/584867213.db2.gz PFUOVXLJVCZSGN-VHDGCEQUSA-N 2 0 246.354 1.797 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1C ZINC000904340915 584867258 /nfs/dbraw/zinc/86/72/58/584867258.db2.gz NVXSRQIGLXFUIF-FQUUOJAGSA-N 3 0 239.407 1.528 20 0 BDADRP C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904343291 584867756 /nfs/dbraw/zinc/86/77/56/584867756.db2.gz SGMGBUMQYNNNIC-FHUSYTEZSA-N 2 0 226.364 1.205 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@H]3COCC[C@@H]32)C1 ZINC000904344973 584867796 /nfs/dbraw/zinc/86/77/96/584867796.db2.gz BZNZBLZPDRXRRG-RVMXOQNASA-N 2 0 224.348 1.225 20 0 BDADRP COCC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CC[C@H](C)C1 ZINC000904346100 584868531 /nfs/dbraw/zinc/86/85/31/584868531.db2.gz QSCCUDUDNOFRKK-FQUUOJAGSA-N 2 0 240.391 1.861 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CN[C@@H](C[NH3+])C1CC1 ZINC000904350435 584868769 /nfs/dbraw/zinc/86/87/69/584868769.db2.gz LIBBOPCIMTVQHF-RYUDHWBXSA-N 2 0 227.396 1.467 20 0 BDADRP CN(C[C@@H]([NH3+])CCC(C)(C)C)C1CC([NH3+])C1 ZINC000904350486 584868895 /nfs/dbraw/zinc/86/88/95/584868895.db2.gz NARJQCJMEAMABA-UNXYVOJBSA-N 2 0 227.396 1.562 20 0 BDADRP COC(=O)[C@H](C)[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CCC1 ZINC000904348774 584868962 /nfs/dbraw/zinc/86/89/62/584868962.db2.gz VEHYLPKVUMIIGO-GARJFASQSA-N 2 0 240.347 1.140 20 0 BDADRP NC[C@@H]([NH2+]C1CC(C[NH3+])C1)C1CCCCC1 ZINC000904352856 584869711 /nfs/dbraw/zinc/86/97/11/584869711.db2.gz DOYXRLPZOFXZLC-KGPNIALWSA-N 3 0 225.380 1.221 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CN[C@@H]1CC[NH2+]C1 ZINC000904353057 584869957 /nfs/dbraw/zinc/86/99/57/584869957.db2.gz HDUVWYNEVSOKMQ-GHMZBOCLSA-N 2 0 213.369 1.092 20 0 BDADRP NC[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)C1CCCCC1 ZINC000904353216 584869961 /nfs/dbraw/zinc/86/99/61/584869961.db2.gz IRSXKTNFSWIKSL-UHTWSYAYSA-N 3 0 225.380 1.221 20 0 BDADRP CC[NH2+][C@H](C)CNC[C@H]([NH3+])CCC(C)(C)C ZINC000904355298 584870740 /nfs/dbraw/zinc/87/07/40/584870740.db2.gz MJWOJYQZLNKLSW-VXGBXAGGSA-N 2 0 229.412 1.728 20 0 BDADRP C[C@]1(C[NH2+][C@H]2CC23CC[NH2+]CC3)CCC[NH2+]C1 ZINC000904355417 584870744 /nfs/dbraw/zinc/87/07/44/584870744.db2.gz RGUDYMUMFXCAMB-STQMWFEESA-N 3 0 237.391 1.108 20 0 BDADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2nccn2C2CC2)C1 ZINC000904355364 584870867 /nfs/dbraw/zinc/87/08/67/584870867.db2.gz QTISNDZILUFHNX-QWRGUYRKSA-N 2 0 234.347 1.435 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000904355873 584871100 /nfs/dbraw/zinc/87/11/00/584871100.db2.gz XENPCGVEINLRQC-ZIAGYGMSSA-N 3 0 233.359 1.362 20 0 BDADRP Cc1noc(C)c1C[NH2+]C1CC(C[NH3+])C1 ZINC000904359850 584871645 /nfs/dbraw/zinc/87/16/45/584871645.db2.gz FTBDXTVDKKJYDQ-UHFFFAOYSA-N 2 0 209.293 1.118 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CN[C@H]1CCCC[NH2+]C1 ZINC000904357862 584871848 /nfs/dbraw/zinc/87/18/48/584871848.db2.gz BZGXAHNODUMOKH-STQMWFEESA-N 2 0 241.423 1.872 20 0 BDADRP CC[C@H]([NH2+]C1CC(C[NH3+])C1)[C@@H]1CCCO1 ZINC000904362057 584872111 /nfs/dbraw/zinc/87/21/11/584872111.db2.gz GWUCMKKJPFJMFT-QQFIATSDSA-N 2 0 212.337 1.271 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)C1 ZINC000904358714 584872334 /nfs/dbraw/zinc/87/23/34/584872334.db2.gz ROBZAOMWFHWDME-YIYPIFLZSA-N 3 0 237.391 1.188 20 0 BDADRP [NH3+]CC1CC([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)C1 ZINC000904369093 584872703 /nfs/dbraw/zinc/87/27/03/584872703.db2.gz XQHMTIJFQGEDBR-ABLIHOLZSA-N 2 0 236.359 1.271 20 0 BDADRP C[C@]1(C[NH2+]CCc2ccccn2)CCC[NH2+]C1 ZINC000904369141 584873134 /nfs/dbraw/zinc/87/31/34/584873134.db2.gz ZFPOFHUFLMHPPH-AWEZNQCLSA-N 2 0 233.359 1.603 20 0 BDADRP C[C@@]1(CN2CC[C@@]3(CCC[NH2+]3)C2)CCC[NH2+]C1 ZINC000904373985 584873996 /nfs/dbraw/zinc/87/39/96/584873996.db2.gz XALXBOQQPNNFKV-KGLIPLIRSA-N 2 0 237.391 1.204 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@@H](C3CCC3)C2)C1 ZINC000904374066 584874133 /nfs/dbraw/zinc/87/41/33/584874133.db2.gz ZJLHTKQFLGMTNN-RTXFEEFZSA-N 2 0 208.349 1.846 20 0 BDADRP [NH3+]CC1CC([NH2+]Cc2cc(F)ccc2F)C1 ZINC000904363179 584874371 /nfs/dbraw/zinc/87/43/71/584874371.db2.gz XGFHQZQEGLZYLG-UHFFFAOYSA-N 2 0 226.270 1.792 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CNCC12CC(C1)C[NH2+]2 ZINC000904378797 584875918 /nfs/dbraw/zinc/87/59/18/584875918.db2.gz LDZNZKCCZGIUSN-LXVYMNJGSA-N 2 0 239.407 1.482 20 0 BDADRP C[C@@]1(C[NH2+]CCC2(C[NH3+])CC2)CCC[NH2+]C1 ZINC000904376356 584876042 /nfs/dbraw/zinc/87/60/42/584876042.db2.gz PMMYIASUQHQAPI-GFCCVEGCSA-N 3 0 225.380 1.095 20 0 BDADRP C[C@@H](O)C[N@H+](C[C@]1(C)CCC[NH2+]C1)C1CC1 ZINC000904377059 584876138 /nfs/dbraw/zinc/87/61/38/584876138.db2.gz IRLUNJCKGGVWOV-DGCLKSJQSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H](C)C1(F)F ZINC000904380492 584876793 /nfs/dbraw/zinc/87/67/93/584876793.db2.gz MPSFRHREQKFZLJ-DTIDVZRVSA-N 2 0 232.318 1.947 20 0 BDADRP [NH3+]Cc1ccc(CN2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC000904380156 584876871 /nfs/dbraw/zinc/87/68/71/584876871.db2.gz JIZUDONORIAXLR-LSDHHAIUSA-N 2 0 245.370 1.459 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1NCc1ccc(C[NH3+])cc1 ZINC000904379686 584876956 /nfs/dbraw/zinc/87/69/56/584876956.db2.gz BTPDSLCZOCKNFS-UONOGXRCSA-N 2 0 233.359 1.375 20 0 BDADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)C1CC[NH2+]CC1 ZINC000904385455 584877670 /nfs/dbraw/zinc/87/76/70/584877670.db2.gz YTZMNKUXBFBFPC-LBPRGKRZSA-N 3 0 247.386 1.623 20 0 BDADRP CC(C)C[C@H](N)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000904409704 584879116 /nfs/dbraw/zinc/87/91/16/584879116.db2.gz GQOCQHCGJLMQHP-XQQFMLRXSA-N 2 0 227.396 1.277 20 0 BDADRP Cc1ncsc1C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000904412404 584879767 /nfs/dbraw/zinc/87/97/67/584879767.db2.gz VHSVDSQSNCJDTO-MWLCHTKSSA-N 2 0 239.388 1.868 20 0 BDADRP CC[NH+](CC)CCC[N@H+](C)CC1CC(O)C1 ZINC000191895149 584883016 /nfs/dbraw/zinc/88/30/16/584883016.db2.gz NUNRXBYWRCVPKZ-UHFFFAOYSA-N 2 0 228.380 1.421 20 0 BDADRP CC(=O)CC[N@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000815146203 584973094 /nfs/dbraw/zinc/97/30/94/584973094.db2.gz NTTZNHZEOYWFBC-CYBMUJFWSA-N 2 0 224.348 1.383 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@@H]1C[C@]12CCOC2 ZINC000886841717 585184346 /nfs/dbraw/zinc/18/43/46/585184346.db2.gz TVQMDUWZBKQYKD-XQHKEYJVSA-N 2 0 224.348 1.225 20 0 BDADRP C[C@H](CC[NH2+][C@@H](C)CCO)[NH+]1CCCCC1 ZINC000753767913 585268537 /nfs/dbraw/zinc/26/85/37/585268537.db2.gz GGYIOUJCQMVNIP-QWHCGFSZSA-N 2 0 228.380 1.611 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc3c(c2)COC3)C1 ZINC000843057896 585336928 /nfs/dbraw/zinc/33/69/28/585336928.db2.gz NLRHBZVDAGCVGU-YPMHNXCESA-N 2 0 246.354 1.886 20 0 BDADRP CC[N@@H+]1CC[C@H](N(C)CCF)C[C@H]1C ZINC000759342292 585369275 /nfs/dbraw/zinc/36/92/75/585369275.db2.gz GUVJSPAATOGQIX-MNOVXSKESA-N 2 0 202.317 1.761 20 0 BDADRP CCCCCC[C@H](O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000759342135 585369377 /nfs/dbraw/zinc/36/93/77/585369377.db2.gz LTHQCPPZAPFUHO-MCIONIFRSA-N 2 0 240.391 1.469 20 0 BDADRP C(C[NH+]1CCCC1)N1CC[NH+](C2CCC2)CC1 ZINC000760839571 585398583 /nfs/dbraw/zinc/39/85/83/585398583.db2.gz DTXNNMJRGGSNGN-UHFFFAOYSA-N 2 0 237.391 1.252 20 0 BDADRP C[C@H]1CN(CC[C@H]2CCCC[N@@H+]2C)CC[NH+]1C ZINC000761079508 585406572 /nfs/dbraw/zinc/40/65/72/585406572.db2.gz ZXMDERBLMWPIFG-UONOGXRCSA-N 2 0 239.407 1.497 20 0 BDADRP C[C@H]1CCC[N@@H+]1CCN[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000766271871 585500279 /nfs/dbraw/zinc/50/02/79/585500279.db2.gz GTDXRIDGWBNNEH-BFHYXJOUSA-N 2 0 239.407 1.543 20 0 BDADRP C[NH+](C)CCCOC(=O)C(C)(C)[NH+]1CCCC1 ZINC000805610878 585737442 /nfs/dbraw/zinc/73/74/42/585737442.db2.gz PQXOGEALWFPYNK-UHFFFAOYSA-N 2 0 242.363 1.356 20 0 BDADRP C[C@H](CCO)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000779384792 585752691 /nfs/dbraw/zinc/75/26/91/585752691.db2.gz OBIVGNZGDQXWNW-OLZOCXBDSA-N 2 0 228.380 1.611 20 0 BDADRP C[C@H]1CC[C@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000783221779 585831197 /nfs/dbraw/zinc/83/11/97/585831197.db2.gz HXJDAUXMYGLOHJ-UONOGXRCSA-N 2 0 239.407 1.402 20 0 BDADRP C[NH+]1CCC2(CCC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC000798956747 586154072 /nfs/dbraw/zinc/15/40/72/586154072.db2.gz MJBBVOUCRDJULS-UHFFFAOYSA-N 2 0 248.374 1.718 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc[nH]c(=O)c1 ZINC000813325731 586600230 /nfs/dbraw/zinc/60/02/30/586600230.db2.gz JSQOUWZVMVPRBV-RYUDHWBXSA-N 2 0 249.358 1.780 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCOc1cccnc1 ZINC000817892246 586833184 /nfs/dbraw/zinc/83/31/84/586833184.db2.gz LRECDKHXWIZDHY-DGCLKSJQSA-N 2 0 235.331 1.177 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCOc1cccnc1 ZINC000817893305 586833562 /nfs/dbraw/zinc/83/35/62/586833562.db2.gz QZUFORTWCCKWSJ-OCCSQVGLSA-N 2 0 249.358 1.438 20 0 BDADRP CC(C)C[C@H](O)C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000817906033 586837360 /nfs/dbraw/zinc/83/73/60/586837360.db2.gz SFEIRYYYQINATM-DCAQKATOSA-N 2 0 202.342 1.109 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@]1(O)CCc2ccccc21 ZINC000817916308 586839240 /nfs/dbraw/zinc/83/92/40/586839240.db2.gz DFVFBEHRBJVXFB-ILXRZTDVSA-N 2 0 246.354 1.290 20 0 BDADRP Cc1ccc([C@@H](O)C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000817926494 586840876 /nfs/dbraw/zinc/84/08/76/586840876.db2.gz KHCJXEGVNGCJLB-KFWWJZLASA-N 2 0 248.370 1.745 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(C)OCCCO1 ZINC000817926458 586841407 /nfs/dbraw/zinc/84/14/07/586841407.db2.gz JHMFYCQAJYPMDO-RYUDHWBXSA-N 2 0 242.363 1.117 20 0 BDADRP C1CC1[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000817928618 586842649 /nfs/dbraw/zinc/84/26/49/586842649.db2.gz ZEROTPHYRUURRK-AGIUHOORSA-N 2 0 208.349 1.907 20 0 BDADRP C[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817949134 586847210 /nfs/dbraw/zinc/84/72/10/586847210.db2.gz OFGXHIZOEWENAQ-WFASDCNBSA-N 2 0 248.370 1.702 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000817962484 586853050 /nfs/dbraw/zinc/85/30/50/586853050.db2.gz MZNCAFZJRURVSV-GHMZBOCLSA-N 2 0 234.343 1.867 20 0 BDADRP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc(Cl)nc1 ZINC000817962191 586853173 /nfs/dbraw/zinc/85/31/73/586853173.db2.gz IJCWXLFVRIMWDF-DTWKUNHWSA-N 2 0 227.739 1.980 20 0 BDADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)C2CC2)C1 ZINC000818984901 586920178 /nfs/dbraw/zinc/92/01/78/586920178.db2.gz MUABTTZSSVDASO-GXTWGEPZSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@H](CC[NH2+]C[C@H](O)C1CC1)[NH+]1CCCCC1 ZINC000819231513 586941039 /nfs/dbraw/zinc/94/10/39/586941039.db2.gz XNUZXQUTSVUHQD-OCCSQVGLSA-N 2 0 240.391 1.611 20 0 BDADRP CO[C@@H]1CC[C@H]([NH+]2CCC(C[NH+](C)C)CC2)C1 ZINC000821355148 587111106 /nfs/dbraw/zinc/11/11/06/587111106.db2.gz PHQRRHXOJJUPQO-UONOGXRCSA-N 2 0 240.391 1.828 20 0 BDADRP Cc1cc(CNC(=O)C[NH+]2CCCC2)cc(C)n1 ZINC000823735460 587238770 /nfs/dbraw/zinc/23/87/70/587238770.db2.gz XIFHZAMKROJELH-UHFFFAOYSA-N 2 0 247.342 1.410 20 0 BDADRP C[C@@H]1CC[C@H]1[NH2+][C@H]1CCCN(CCCO)C1 ZINC000824583833 587278130 /nfs/dbraw/zinc/27/81/30/587278130.db2.gz RVJWSWWTMMTVIV-FRRDWIJNSA-N 2 0 226.364 1.221 20 0 BDADRP CC(C)[NH+]1CCC(N(C)CC[S@](C)=O)CC1 ZINC000827850527 587405670 /nfs/dbraw/zinc/40/56/70/587405670.db2.gz OBTYOJQVFRCAHY-INIZCTEOSA-N 2 0 246.420 1.170 20 0 BDADRP CC(C)[C@@H](CO)[C@H]([NH2+]Cc1cnc[nH]1)C(C)C ZINC000831663192 587626657 /nfs/dbraw/zinc/62/66/57/587626657.db2.gz DYJWYOKCIAEMNA-CHWSQXEVSA-N 2 0 239.363 1.788 20 0 BDADRP [NH3+]Cc1cccc(C(=O)N[C@@H]2CCC[NH2+]CC2)c1 ZINC000834582608 587760024 /nfs/dbraw/zinc/76/00/24/587760024.db2.gz WFVXRTZNEKSKJN-CYBMUJFWSA-N 2 0 247.342 1.017 20 0 BDADRP C[C@H]1C[C@H](NC(=O)c2cccc(C[NH3+])c2)CC[NH2+]1 ZINC000834673654 587763655 /nfs/dbraw/zinc/76/36/55/587763655.db2.gz TVBNOFYXGIFXCA-GXFFZTMASA-N 2 0 247.342 1.016 20 0 BDADRP COC(=O)CC(C)(C)[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000841009846 587934994 /nfs/dbraw/zinc/93/49/94/587934994.db2.gz IBIQWKLNBAQGJU-QWRGUYRKSA-N 2 0 242.363 1.306 20 0 BDADRP C[C@H](CC[NH3+])[NH2+]Cc1ccc(Cl)nc1 ZINC000841049601 587939844 /nfs/dbraw/zinc/93/98/44/587939844.db2.gz FVHAIWZYOMHKCU-MRVPVSSYSA-N 2 0 213.712 1.562 20 0 BDADRP C([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)[C@H]1CCCOC1 ZINC000841089272 587945481 /nfs/dbraw/zinc/94/54/81/587945481.db2.gz KPKRPTQIWAVILI-CHWSQXEVSA-N 2 0 238.375 1.677 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)C[C@H]([NH3+])C2CC2)c1 ZINC000841845782 587977114 /nfs/dbraw/zinc/97/71/14/587977114.db2.gz KHALUYLTPOKTHV-ZDUSSCGKSA-N 2 0 247.342 1.472 20 0 BDADRP C[C@H]([NH3+])CC(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000841848946 587977618 /nfs/dbraw/zinc/97/76/18/587977618.db2.gz WKBFKRHKTLNVKL-JTQLQIEISA-N 2 0 247.342 1.162 20 0 BDADRP C[C@@H]1CN(C(=O)CCCCCC[NH3+])[C@@H](C)C[NH2+]1 ZINC000841849196 587977879 /nfs/dbraw/zinc/97/78/79/587977879.db2.gz BDYJILINOPUBTP-NEPJUHHUSA-N 2 0 241.379 1.104 20 0 BDADRP CC(C)C[C@H](N)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000843054894 588077691 /nfs/dbraw/zinc/07/76/91/588077691.db2.gz MMXNQIPPJSDYNB-CPCZMJQVSA-N 2 0 227.396 1.562 20 0 BDADRP C[C@@H]1C[C@H](NC[C@]2(C)CCC[NH2+]C2)CC[NH2+]1 ZINC000843126180 588082485 /nfs/dbraw/zinc/08/24/85/588082485.db2.gz NVKPLBNDMRXQGQ-JHJVBQTASA-N 2 0 225.380 1.106 20 0 BDADRP COC[C@H](C)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843119692 588083731 /nfs/dbraw/zinc/08/37/31/588083731.db2.gz CILOPWLQLCKRLQ-GFCCVEGCSA-N 2 0 226.364 1.344 20 0 BDADRP C[C@H]1C[NH2+]C[C@@H](Nc2ccc(OCC[NH3+])cc2)C1 ZINC000843125853 588084179 /nfs/dbraw/zinc/08/41/79/588084179.db2.gz JKQZMBMMSMDISA-YPMHNXCESA-N 2 0 249.358 1.434 20 0 BDADRP Cn1cc(C[NH2+]CCCCCC[NH3+])cn1 ZINC000843127702 588084923 /nfs/dbraw/zinc/08/49/23/588084923.db2.gz GVCWAYWGWVDLRX-UHFFFAOYSA-N 2 0 210.325 1.029 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]CCCCCC[NH3+] ZINC000843341941 588100924 /nfs/dbraw/zinc/10/09/24/588100924.db2.gz LXXSQRMRHNXQRD-WDEREUQCSA-N 2 0 202.342 1.519 20 0 BDADRP CCc1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)[nH]n1 ZINC000843342218 588101135 /nfs/dbraw/zinc/10/11/35/588101135.db2.gz KSGRMPYULRPMII-NQBHXWOUSA-N 2 0 248.374 1.450 20 0 BDADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CCCCCC[NH3+] ZINC000843342740 588101597 /nfs/dbraw/zinc/10/15/97/588101597.db2.gz SXJHKCDSLTULLC-OCCSQVGLSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCCCCC[NH3+])CC[N@@H+]1C ZINC000843342417 588101610 /nfs/dbraw/zinc/10/16/10/588101610.db2.gz QLAILXKWLCADKH-QWHCGFSZSA-N 3 0 227.396 1.578 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCCCC[NH3+] ZINC000843344102 588101617 /nfs/dbraw/zinc/10/16/17/588101617.db2.gz QMBGDENJAXPNFD-STQMWFEESA-N 3 0 227.396 1.483 20 0 BDADRP C[NH2+][C@@H]1CCN(CCCCCCC[NH3+])C1 ZINC000843344655 588101856 /nfs/dbraw/zinc/10/18/56/588101856.db2.gz PHQHPDKPICFVAP-GFCCVEGCSA-N 2 0 213.369 1.189 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](CCCCCCC[NH3+])CC1 ZINC000843348811 588102642 /nfs/dbraw/zinc/10/26/42/588102642.db2.gz QFERTLFLTNEFNY-ZDUSSCGKSA-N 3 0 241.423 1.955 20 0 BDADRP C[N@H+](CCCCCCC[NH3+])CC(C)(C)C[NH3+] ZINC000843355276 588102993 /nfs/dbraw/zinc/10/29/93/588102993.db2.gz PGSNAUPMBWUOHP-UHFFFAOYSA-N 3 0 229.412 1.812 20 0 BDADRP CCCOC(=O)[C@H](C)[N@H+](C)C1CCC([NH3+])CC1 ZINC000843354931 588103243 /nfs/dbraw/zinc/10/32/43/588103243.db2.gz MFOVXFQHUJGJJP-UNXYVOJBSA-N 2 0 242.363 1.530 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](CCCCCCC[NH3+])C1 ZINC000843383451 588105352 /nfs/dbraw/zinc/10/53/52/588105352.db2.gz WLSJCQIHNTYXIE-CYBMUJFWSA-N 2 0 227.396 1.566 20 0 BDADRP CC(C)[C@@H](C(=O)NCCCCCC[NH3+])[C@@H](C)[NH3+] ZINC000843511994 588117847 /nfs/dbraw/zinc/11/78/47/588117847.db2.gz UDTRYXLXSUWNPT-VXGBXAGGSA-N 2 0 243.395 1.241 20 0 BDADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NCCCCCC[NH3+])C1 ZINC000843512347 588117885 /nfs/dbraw/zinc/11/78/85/588117885.db2.gz ZFSYNXIZHRMKGS-VXGBXAGGSA-N 2 0 241.379 1.010 20 0 BDADRP C[C@H]1C[C@@H](C(=O)NCCCCCC[NH3+])CC[NH2+]1 ZINC000843513086 588118183 /nfs/dbraw/zinc/11/81/83/588118183.db2.gz YIQGCWWHHCBBCY-RYUDHWBXSA-N 2 0 241.379 1.010 20 0 BDADRP Cn1nccc1[C@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000844222122 588174128 /nfs/dbraw/zinc/17/41/28/588174128.db2.gz VNDGFKVDMQAZJS-STQMWFEESA-N 2 0 248.374 1.209 20 0 BDADRP CCc1cnc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)o1 ZINC000844222971 588174416 /nfs/dbraw/zinc/17/44/16/588174416.db2.gz OXVBZCGMDXOEOA-UHFFFAOYSA-N 2 0 249.358 1.813 20 0 BDADRP CN1CCC[C@H]1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000844297960 588181933 /nfs/dbraw/zinc/18/19/33/588181933.db2.gz VSXOCBDCQOMUDO-AWEZNQCLSA-N 2 0 239.407 1.354 20 0 BDADRP NC(=O)C[C@H]1CCCC[N@@H+]1CCCCCC[NH3+] ZINC000846218011 588259730 /nfs/dbraw/zinc/25/97/30/588259730.db2.gz GJKGQXFZWOZFEZ-GFCCVEGCSA-N 2 0 241.379 1.235 20 0 BDADRP CC1(C)CNCC[N@@H+]1CCCCCC[NH3+] ZINC000846217195 588260547 /nfs/dbraw/zinc/26/05/47/588260547.db2.gz CIRBRNMFCSLOFJ-UHFFFAOYSA-N 2 0 213.369 1.189 20 0 BDADRP [NH3+]CCCCCC[NH+]1CCN(CC(F)F)CC1 ZINC000846221455 588261068 /nfs/dbraw/zinc/26/10/68/588261068.db2.gz KHFWCBIHJZLZEO-UHFFFAOYSA-N 2 0 249.349 1.388 20 0 BDADRP [NH3+]CCCCCC[N@H+]1C[C@H]2CCC[C@@H](C1)N2 ZINC000846220712 588261128 /nfs/dbraw/zinc/26/11/28/588261128.db2.gz NGDCDBMEXBDEJE-BETUJISGSA-N 2 0 225.380 1.332 20 0 BDADRP C[C@H]1NCC[N@H+](CCCCCC[NH3+])[C@H]1C ZINC000846220451 588261158 /nfs/dbraw/zinc/26/11/58/588261158.db2.gz PYIVQZVEUCTEKP-NEPJUHHUSA-N 2 0 213.369 1.188 20 0 BDADRP C[C@@H](C[C@@H]1CCOC1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848558185 588397163 /nfs/dbraw/zinc/39/71/63/588397163.db2.gz NRQBEKIBVIRBQC-XDQVBPFNSA-N 2 0 240.391 1.731 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@@H]2CCCOC2)C1 ZINC000848562359 588397552 /nfs/dbraw/zinc/39/75/52/588397552.db2.gz IEKMPQPATBDCIS-RWMBFGLXSA-N 2 0 226.364 1.343 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@@H](O)c2ccccc2)C1 ZINC000848676780 588405132 /nfs/dbraw/zinc/40/51/32/588405132.db2.gz RSJRYEZFKFLSBT-VHDGCEQUSA-N 2 0 248.370 1.650 20 0 BDADRP C[C@](O)(C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000848719481 588408521 /nfs/dbraw/zinc/40/85/21/588408521.db2.gz GRLYRACWLDKKOF-ILXRZTDVSA-N 2 0 248.370 1.754 20 0 BDADRP CC(C)NC(=[NH2+])NCCC[NH+]1CCCCC1 ZINC000848982694 588424346 /nfs/dbraw/zinc/42/43/46/588424346.db2.gz ZPVKUXQUYXCSSI-UHFFFAOYSA-N 2 0 226.368 1.385 20 0 BDADRP CC[C@@H](C)NC(=[NH2+])NCCC[NH+]1CCCC1 ZINC000848982622 588424594 /nfs/dbraw/zinc/42/45/94/588424594.db2.gz LOOOJABDWUHLDU-LLVKDONJSA-N 2 0 226.368 1.385 20 0 BDADRP [NH2+]=C(NCCC[NH+]1CCCC1)NC1CCC1 ZINC000848982595 588424629 /nfs/dbraw/zinc/42/46/29/588424629.db2.gz HGUGZYIOSXYGDW-UHFFFAOYSA-N 2 0 224.352 1.139 20 0 BDADRP CCNC(=[NH2+])NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000848987177 588426165 /nfs/dbraw/zinc/42/61/65/588426165.db2.gz LIVFUOJJZPJNQD-WDEREUQCSA-N 2 0 226.368 1.241 20 0 BDADRP CNC(=[NH2+])NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000848989806 588426671 /nfs/dbraw/zinc/42/66/71/588426671.db2.gz BXIYNBOWXNUIBF-NSHDSACASA-N 2 0 226.368 1.242 20 0 BDADRP CC(C)(C)[NH2+]CCCNC(=[NH2+])NC1CCCC1 ZINC000848994015 588428308 /nfs/dbraw/zinc/42/83/08/588428308.db2.gz GUSYOEILGSXKQA-UHFFFAOYSA-N 2 0 240.395 1.821 20 0 BDADRP CC[C@@H](C)NC(=[NH2+])NCC[N@H+](CC)C(C)C ZINC000848998963 588430104 /nfs/dbraw/zinc/43/01/04/588430104.db2.gz NDMFBJMTSVMVNP-LLVKDONJSA-N 2 0 228.384 1.629 20 0 BDADRP C[C@@H]1CC[N@H+](CCNC(=[NH2+])NC2CCCC2)C1 ZINC000849004390 588431799 /nfs/dbraw/zinc/43/17/99/588431799.db2.gz OPBBWVSETMWOOO-LLVKDONJSA-N 2 0 238.379 1.385 20 0 BDADRP CCN(CC)C(=[NH2+])NCC[N@@H+]1CC[C@H](C)C1 ZINC000849004639 588432128 /nfs/dbraw/zinc/43/21/28/588432128.db2.gz SADCNPCWCIOAMK-NSHDSACASA-N 2 0 226.368 1.194 20 0 BDADRP Cc1ccc(NC(=[NH2+])NCCN2CCC2)cc1C ZINC000849014723 588436108 /nfs/dbraw/zinc/43/61/08/588436108.db2.gz WZOOLPQUGNRKKZ-UHFFFAOYSA-N 2 0 246.358 1.945 20 0 BDADRP CCCNC(=[NH2+])NCC(C)(C)C[NH+]1CCCC1 ZINC000849022066 588439339 /nfs/dbraw/zinc/43/93/39/588439339.db2.gz WDNVVBAYPXXGIR-UHFFFAOYSA-N 2 0 240.395 1.632 20 0 BDADRP CC(C)NC(=[NH2+])NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000849024277 588440004 /nfs/dbraw/zinc/44/00/04/588440004.db2.gz TUMXVSFVTZAIHJ-NSHDSACASA-N 2 0 240.395 1.629 20 0 BDADRP C[C@@H](CNC(=[NH2+])N1CCC(C)CC1)C[NH+](C)C ZINC000849030294 588442182 /nfs/dbraw/zinc/44/21/82/588442182.db2.gz JBZKTEARZCNZAX-LBPRGKRZSA-N 2 0 240.395 1.440 20 0 BDADRP [NH2+]=C(NCCCCC[NH+]1CCCC1)N1CCC1 ZINC000849033356 588443729 /nfs/dbraw/zinc/44/37/29/588443729.db2.gz HSQVKUYVWZIMJF-UHFFFAOYSA-N 2 0 238.379 1.483 20 0 BDADRP C[N@H+](CCCCNC(=[NH2+])N1CCC1)C1CC1 ZINC000849039709 588447073 /nfs/dbraw/zinc/44/70/73/588447073.db2.gz OMXOILRCRYVMQK-UHFFFAOYSA-N 2 0 224.352 1.091 20 0 BDADRP CC[C@H](C)NC(=[NH2+])NCC[C@@H]1CCC[N@H+](C)C1 ZINC000849041073 588447786 /nfs/dbraw/zinc/44/77/86/588447786.db2.gz JLIWJDWEVOYIQO-RYUDHWBXSA-N 2 0 240.395 1.631 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](CNC(=[NH2+])Nc2ccccn2)C1 ZINC000849049010 588451394 /nfs/dbraw/zinc/45/13/94/588451394.db2.gz LJUFLXFVICKMHH-PHIMTYICSA-N 2 0 247.346 1.358 20 0 BDADRP CC[C@H](CNC1=[NH+]CCCCN1)[NH+]1CCCC1 ZINC000849215549 588462270 /nfs/dbraw/zinc/46/22/70/588462270.db2.gz PYSVXUJJMMMKJZ-GFCCVEGCSA-N 2 0 238.379 1.190 20 0 BDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CC[C@H]1C ZINC000850499926 588552246 /nfs/dbraw/zinc/55/22/46/588552246.db2.gz ANVCUIIIDUAYCY-HZSPNIEDSA-N 2 0 241.423 1.647 20 0 BDADRP C[C@H](CN1CCC(C)CC1)[NH2+][C@@H](C)CCO ZINC000850544259 588559241 /nfs/dbraw/zinc/55/92/41/588559241.db2.gz VCEKWMLMWUZPEW-QWHCGFSZSA-N 2 0 228.380 1.467 20 0 BDADRP CO[C@@H]1CC[C@@H]([N@H+](C)CCC[NH+]2CCCC2)C1 ZINC000852009088 588654549 /nfs/dbraw/zinc/65/45/49/588654549.db2.gz YCVPPNRWMYRLAV-ZIAGYGMSSA-N 2 0 240.391 1.972 20 0 BDADRP CCc1nocc1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000852741264 588698343 /nfs/dbraw/zinc/69/83/43/588698343.db2.gz PIEJHPWJFWLBED-UHFFFAOYSA-N 2 0 237.347 1.939 20 0 BDADRP CN(CCCCCC[NH3+])[C@@H](C[NH3+])C(F)(F)F ZINC000852761201 588701094 /nfs/dbraw/zinc/70/10/94/588701094.db2.gz IHDUPXZYLYHHAE-VIFPVBQESA-N 2 0 241.301 1.327 20 0 BDADRP C[C@H](C[C@@H]1CCOC1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000863483216 589292648 /nfs/dbraw/zinc/29/26/48/589292648.db2.gz RRACLEQDUGDOLB-AGIUHOORSA-N 2 0 238.375 1.676 20 0 BDADRP CCc1cccc(OCCN(C)C[C@H](C)[NH3+])c1 ZINC000863567620 589300068 /nfs/dbraw/zinc/30/00/68/589300068.db2.gz WTWTYKIKMMKMTI-LBPRGKRZSA-N 2 0 236.359 1.907 20 0 BDADRP CC(=O)Nc1cccc(CN(C)C[C@H](C)[NH3+])c1 ZINC000863567979 589300177 /nfs/dbraw/zinc/30/01/77/589300177.db2.gz HRSULDZUHSRCSU-JTQLQIEISA-N 2 0 235.331 1.424 20 0 BDADRP C[C@@H]([NH3+])C[N@H+](C)CCCC1CC[NH2+]CC1 ZINC000863569534 589300512 /nfs/dbraw/zinc/30/05/12/589300512.db2.gz YESJIRMYAULOMH-LLVKDONJSA-N 3 0 213.369 1.045 20 0 BDADRP C[C@@H]([NH3+])CN(C)Cc1cccc2c1CC[NH2+]C2 ZINC000863569485 589300598 /nfs/dbraw/zinc/30/05/98/589300598.db2.gz WYTAOYRPBZYKIA-LLVKDONJSA-N 2 0 233.359 1.111 20 0 BDADRP Cc1cnccc1C[NH2+]CCCCCC[NH3+] ZINC000863642705 589306975 /nfs/dbraw/zinc/30/69/75/589306975.db2.gz VUNWMLQURVMAFV-UHFFFAOYSA-N 2 0 221.348 1.999 20 0 BDADRP C[C@@H](CNC(=[NH2+])N[C@@H]1C[C@H]1C)[NH+]1CCCCC1 ZINC000864455460 589366292 /nfs/dbraw/zinc/36/62/92/589366292.db2.gz QHKDQZYPKHDTOD-GRYCIOLGSA-N 2 0 238.379 1.383 20 0 BDADRP CC(C)[N@H+](C)CCNC(=[NH2+])NCCC1CC1 ZINC000864456051 589366817 /nfs/dbraw/zinc/36/68/17/589366817.db2.gz BRRPDXCQGAYFTM-UHFFFAOYSA-N 2 0 226.368 1.241 20 0 BDADRP CC[C@@H]1CCN(C(=[NH2+])NCC[NH2+]C(C)(C)C)C1 ZINC000864457708 589367715 /nfs/dbraw/zinc/36/77/15/589367715.db2.gz GQFMXCCLRJMYGW-LLVKDONJSA-N 2 0 240.395 1.631 20 0 BDADRP CCC(CC)NC(=[NH2+])NC[C@H]1CCC[N@H+](C)C1 ZINC000864459069 589368312 /nfs/dbraw/zinc/36/83/12/589368312.db2.gz ZSOSUDIXFBNXKM-LLVKDONJSA-N 2 0 240.395 1.631 20 0 BDADRP C[C@@H](CNC(=[NH2+])NCCC1CC1)C[NH+](C)C ZINC000864465730 589371026 /nfs/dbraw/zinc/37/10/26/589371026.db2.gz BNKQHNWPEBPWND-JTQLQIEISA-N 2 0 226.368 1.098 20 0 BDADRP CCC(CC)NC(=[NH2+])NC[C@@H](C)C[NH+](C)C ZINC000864466341 589371477 /nfs/dbraw/zinc/37/14/77/589371477.db2.gz HZZMUNNJWKYLGZ-SNVBAGLBSA-N 2 0 228.384 1.487 20 0 BDADRP CC(C)C[N@H+](C)CCCNC(=[NH2+])N[C@H]1C[C@H]1C ZINC000864468836 589372521 /nfs/dbraw/zinc/37/25/21/589372521.db2.gz JHHORLZXMIAELS-NEPJUHHUSA-N 2 0 240.395 1.487 20 0 BDADRP C[C@H]1CC[C@H]([NH2+][C@H]2CCN(CC(C)(C)O)C2)C1 ZINC000865658861 589454792 /nfs/dbraw/zinc/45/47/92/589454792.db2.gz BQEMGBDMRXSYOB-AVGNSLFASA-N 2 0 240.391 1.610 20 0 BDADRP COCC[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705033 589514385 /nfs/dbraw/zinc/51/43/85/589514385.db2.gz RWYLRAZPMIOOJU-LBPRGKRZSA-N 2 0 214.353 1.330 20 0 BDADRP C[C@H]1C[C@@H](C[NH3+])CN1Cc1ccc(Cl)nc1 ZINC000122333873 589581948 /nfs/dbraw/zinc/58/19/48/589581948.db2.gz ZQHXBWSCVCDKFW-ONGXEEELSA-N 2 0 239.750 1.904 20 0 BDADRP CC(C)[NH2+]CCCNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870934773 589698335 /nfs/dbraw/zinc/69/83/35/589698335.db2.gz FXLJFGIPYNPXOT-TXEJJXNPSA-N 2 0 241.379 1.008 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)CC[NH2+]CC1CC1 ZINC000870938916 589699194 /nfs/dbraw/zinc/69/91/94/589699194.db2.gz WIHJREWMPBJURL-GFCCVEGCSA-N 2 0 241.379 1.010 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000870988211 589706641 /nfs/dbraw/zinc/70/66/41/589706641.db2.gz JAIWMJXNUQNTSW-GXFFZTMASA-N 2 0 241.379 1.008 20 0 BDADRP C[NH2+][C@H](C)Cc1noc([C@H]2CC[C@@H]([NH3+])CC2)n1 ZINC000871789166 589818856 /nfs/dbraw/zinc/81/88/56/589818856.db2.gz RAZRZIMKPBAQOL-BBBLOLIVSA-N 2 0 238.335 1.205 20 0 BDADRP [NH3+]C1(c2noc(/C=C/[C@@H]3CCC[NH2+]C3)n2)CCC1 ZINC000871787606 589818946 /nfs/dbraw/zinc/81/89/46/589818946.db2.gz YIHQADZNNCSEIM-YEZKRMTDSA-N 2 0 248.330 1.420 20 0 BDADRP C(=C/[C@@H]1CCC[NH2+]C1)\c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000871789473 589819006 /nfs/dbraw/zinc/81/90/06/589819006.db2.gz UWQWFQLBQWOKSP-PZIAFJOJSA-N 2 0 248.330 1.507 20 0 BDADRP C[C@@](C[NH3+])([NH2+]C[C@@H]1CC2(CCC2)CO1)C1CC1 ZINC000872141251 589881734 /nfs/dbraw/zinc/88/17/34/589881734.db2.gz AKPJMXDPQQHBHX-STQMWFEESA-N 2 0 238.375 1.663 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000872141797 589882417 /nfs/dbraw/zinc/88/24/17/589882417.db2.gz TYXHQJXPBWBLBX-NEPJUHHUSA-N 2 0 224.348 1.226 20 0 BDADRP [NH3+]CCN1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872157553 589886117 /nfs/dbraw/zinc/88/61/17/589886117.db2.gz PPCXTHRXTKRYHE-JSGCOSHPSA-N 2 0 239.407 1.565 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H]2CCCOC2)C1 ZINC000872250917 589900341 /nfs/dbraw/zinc/90/03/41/589900341.db2.gz DTBMGGZYWORNNG-VXGBXAGGSA-N 2 0 226.364 1.533 20 0 BDADRP C[N@H+](CCNc1cc[nH+]cc1C1CC1)C1CC1 ZINC000872421608 589938557 /nfs/dbraw/zinc/93/85/57/589938557.db2.gz QEQODHWWSCPZIU-UHFFFAOYSA-N 2 0 231.343 1.887 20 0 BDADRP [NH3+]CCOc1ccc(NCC23CC(C2)C[NH2+]3)cc1 ZINC000873212477 589996153 /nfs/dbraw/zinc/99/61/53/589996153.db2.gz LNBCWYMGSLCQGH-UHFFFAOYSA-N 2 0 247.342 1.188 20 0 BDADRP CC(C)[C@@H](C[NH3+])C[NH2+]CCCCCC[NH3+] ZINC000873214093 589997250 /nfs/dbraw/zinc/99/72/50/589997250.db2.gz XOOWDRPTNHAREN-LBPRGKRZSA-N 2 0 215.385 1.326 20 0 BDADRP [NH3+][C@@H]1C[C@H]1c1ccc(N[C@H]2CC[NH2+]C2)cc1 ZINC000873214785 589997327 /nfs/dbraw/zinc/99/73/27/589997327.db2.gz IUHWADFVMFELLB-RWMBFGLXSA-N 2 0 217.316 1.275 20 0 BDADRP CC[C@@H]1C[C@H](C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)CCO1 ZINC000873215246 589997981 /nfs/dbraw/zinc/99/79/81/589997981.db2.gz BOSXQUGZEJGJKO-AAVRWANBSA-N 2 0 240.391 1.718 20 0 BDADRP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873220733 589998658 /nfs/dbraw/zinc/99/86/58/589998658.db2.gz SFUUPFBQBZVTCV-SGMGOOAPSA-N 3 0 239.407 1.495 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000873218967 589998902 /nfs/dbraw/zinc/99/89/02/589998902.db2.gz BHRRUNHBZLMNET-HZSPNIEDSA-N 2 0 239.407 1.386 20 0 BDADRP CC(C)(C)[NH2+]CCN1C[C@H](O)CC(C)(C)C1 ZINC000873221469 590000114 /nfs/dbraw/zinc/00/01/14/590000114.db2.gz KZNFPVPFELJJGX-LLVKDONJSA-N 2 0 228.380 1.467 20 0 BDADRP COCCC1([NH2+]CC(C)C)CC[NH2+]CC1 ZINC000873224763 590000518 /nfs/dbraw/zinc/00/05/18/590000518.db2.gz KPECMKZBQFZHKE-UHFFFAOYSA-N 2 0 214.353 1.391 20 0 BDADRP Cn1ccc(C[N@H+](C)CCCCCC[NH3+])c1 ZINC000873231358 590003514 /nfs/dbraw/zinc/00/35/14/590003514.db2.gz HBEWACJOMKEXHO-UHFFFAOYSA-N 2 0 223.364 1.976 20 0 BDADRP CC1(C)CC[C@H](CN[C@H]2CCC[C@@H]([NH3+])C2)[NH2+]C1 ZINC000873236450 590003921 /nfs/dbraw/zinc/00/39/21/590003921.db2.gz HJASJIDCLJWQBT-FRRDWIJNSA-N 2 0 239.407 1.624 20 0 BDADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@H]2CCCc3n[nH]cc32)CC1 ZINC000873239594 590005344 /nfs/dbraw/zinc/00/53/44/590005344.db2.gz YRQDRCXQFSYVPV-GVXVVHGQSA-N 2 0 248.374 1.894 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCCC[C@@H]1F ZINC000873239062 590006040 /nfs/dbraw/zinc/00/60/40/590006040.db2.gz MZQOGNPKKOLENL-ZRUFSTJUSA-N 2 0 202.317 1.983 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1F ZINC000873239060 590006089 /nfs/dbraw/zinc/00/60/89/590006089.db2.gz MZQOGNPKKOLENL-VPOLOUISSA-N 2 0 202.317 1.983 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC[C@@H]1CCCS1 ZINC000873244631 590006807 /nfs/dbraw/zinc/00/68/07/590006807.db2.gz TZTFPWDRNCXYJU-DCAQKATOSA-N 2 0 216.394 1.988 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC12CCOCC2)C1C[NH2+]C1 ZINC000873249830 590007620 /nfs/dbraw/zinc/00/76/20/590007620.db2.gz CPWCZRMYMDOIPX-WCQYABFASA-N 2 0 238.375 1.391 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)C1C[NH2+]C1 ZINC000873251131 590008057 /nfs/dbraw/zinc/00/80/57/590008057.db2.gz JIBCQHTYSVTALF-OSMZGAPFSA-N 2 0 238.375 1.247 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCOC1 ZINC000873254297 590009656 /nfs/dbraw/zinc/00/96/56/590009656.db2.gz PWELUCBHHHCSFJ-YFKTTZPYSA-N 2 0 212.337 1.128 20 0 BDADRP CC(C)n1cc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cn1 ZINC000873254609 590010099 /nfs/dbraw/zinc/01/00/99/590010099.db2.gz YGRYHUZDECVWET-GMXVVIOVSA-N 2 0 236.363 1.852 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873256211 590011214 /nfs/dbraw/zinc/01/12/14/590011214.db2.gz MUIPFVIDHVNCOQ-SYQHCUMBSA-N 3 0 239.407 1.624 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C1 ZINC000873255841 590011231 /nfs/dbraw/zinc/01/12/31/590011231.db2.gz IUJHXAGNMZQQHD-DDHJBXDOSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)[C@@H]1CCCOC1 ZINC000873256413 590011728 /nfs/dbraw/zinc/01/17/28/590011728.db2.gz MKCUBRKIHJUDEE-DDHJBXDOSA-N 2 0 212.337 1.128 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000873258190 590012130 /nfs/dbraw/zinc/01/21/30/590012130.db2.gz NUTDJRLHINSUDI-CYDGBPFRSA-N 3 0 225.380 1.044 20 0 BDADRP COc1ccccc1C[C@H](C)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873258509 590013007 /nfs/dbraw/zinc/01/30/07/590013007.db2.gz QRLYIFUUYLDNOX-OBJOEFQTSA-N 2 0 248.370 1.953 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873261930 590014042 /nfs/dbraw/zinc/01/40/42/590014042.db2.gz UACZDNQMDVTARR-RGDJUOJXSA-N 2 0 238.375 1.532 20 0 BDADRP C[C@H]1COCC[C@@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873261928 590014449 /nfs/dbraw/zinc/01/44/49/590014449.db2.gz UACZDNQMDVTARR-HPCHECBXSA-N 2 0 238.375 1.532 20 0 BDADRP C[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@H]1C)C1CC[NH2+]CC1 ZINC000873268928 590015267 /nfs/dbraw/zinc/01/52/67/590015267.db2.gz AZKOAMVTIMPBQM-HNCHTBHHSA-N 2 0 226.364 1.530 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCO1)C1CC[NH2+]CC1 ZINC000873269088 590015322 /nfs/dbraw/zinc/01/53/22/590015322.db2.gz LWKMFYRSOSEMJU-MDZLAQPJSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CC(C)(C)CO1 ZINC000873282957 590019796 /nfs/dbraw/zinc/01/97/96/590019796.db2.gz XQPHJPDBIRYQMD-GARJFASQSA-N 2 0 214.353 1.517 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000873290189 590023376 /nfs/dbraw/zinc/02/33/76/590023376.db2.gz OSBASHMXPZMWIQ-WCQYABFASA-N 2 0 238.375 1.533 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]C[C@H]1C[C@H](O)C1 ZINC000873297271 590024633 /nfs/dbraw/zinc/02/46/33/590024633.db2.gz VJULRCDBVWYOSG-FIQHERPVSA-N 2 0 212.337 1.007 20 0 BDADRP C[C@@H]([NH3+])CC(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000876723171 590233519 /nfs/dbraw/zinc/23/35/19/590233519.db2.gz OPKPKMPFNRUYFU-WOPDTQHZSA-N 2 0 241.379 1.103 20 0 BDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H](C)[NH3+])C[C@H]1C ZINC000876771391 590239659 /nfs/dbraw/zinc/23/96/59/590239659.db2.gz RAKLQKVZCPBHIB-IJLUTSLNSA-N 2 0 241.379 1.055 20 0 BDADRP C[C@H]([NH3+])CN(C)C(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000877095717 590281917 /nfs/dbraw/zinc/28/19/17/590281917.db2.gz PKCBOPOKLKISIC-GVXVVHGQSA-N 2 0 249.358 1.128 20 0 BDADRP COCC(C)(C)C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877740197 590406541 /nfs/dbraw/zinc/40/65/41/590406541.db2.gz IZNRYHIWUBCHTL-QWHCGFSZSA-N 2 0 240.391 1.685 20 0 BDADRP CC[C@](C)(C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1)OC ZINC000877743481 590410739 /nfs/dbraw/zinc/41/07/39/590410739.db2.gz WGQPEGDZYBIFOT-HZSPNIEDSA-N 2 0 240.391 1.828 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000878645073 590600346 /nfs/dbraw/zinc/60/03/46/590600346.db2.gz HIJXSLJPRWSZOR-HZSPNIEDSA-N 2 0 238.375 1.439 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](CCC3CC3)CC[C@H]21 ZINC000879573755 590811716 /nfs/dbraw/zinc/81/17/16/590811716.db2.gz QWJXWJANJWPUAJ-CHWSQXEVSA-N 2 0 208.349 1.813 20 0 BDADRP CCC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879578616 590819018 /nfs/dbraw/zinc/81/90/18/590819018.db2.gz FZHFTUVJLJFSLP-AGIUHOORSA-N 2 0 226.364 1.173 20 0 BDADRP CC[C@@H](O)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880258564 590979182 /nfs/dbraw/zinc/97/91/82/590979182.db2.gz IPYXCKLOTCUJME-GXTWGEPZSA-N 2 0 249.358 1.363 20 0 BDADRP COC[C@@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880259711 590980582 /nfs/dbraw/zinc/98/05/82/590980582.db2.gz ZNZWPALFQOLHSA-QWHCGFSZSA-N 2 0 249.358 1.627 20 0 BDADRP Cn1cncc1CCC[N@@H+]1CC[C@H](CF)C1 ZINC000880299753 590995642 /nfs/dbraw/zinc/99/56/42/590995642.db2.gz LBPDOGBHQSJSRZ-LLVKDONJSA-N 2 0 225.311 1.644 20 0 BDADRP CC1([NH+]2CCC2)CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000880475545 591053020 /nfs/dbraw/zinc/05/30/20/591053020.db2.gz VZAOTVIPXGROPB-CYBMUJFWSA-N 2 0 238.375 1.318 20 0 BDADRP CC(C)[NH+](CCN[C@@H]1CCC[NH2+]CC1)C(C)C ZINC000128836481 591165411 /nfs/dbraw/zinc/16/54/11/591165411.db2.gz QBERLQDCSICDDC-CQSZACIVSA-N 2 0 241.423 1.837 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](COC)C2)[C@@H](C)C1 ZINC000883321106 591615707 /nfs/dbraw/zinc/61/57/07/591615707.db2.gz LNTMBCDWYOQIQA-IGQOVBAYSA-N 2 0 240.391 1.731 20 0 BDADRP C[NH2+]CCC1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000883424220 591658845 /nfs/dbraw/zinc/65/88/45/591658845.db2.gz KTOXRXKOAKPACY-STQMWFEESA-N 2 0 243.370 1.008 20 0 BDADRP Cn1cncc1CC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000883428186 591660338 /nfs/dbraw/zinc/66/03/38/591660338.db2.gz NOZFABQDYABUOP-CQSZACIVSA-N 2 0 248.374 1.038 20 0 BDADRP C[NH2+]CCCN1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000883447820 591670731 /nfs/dbraw/zinc/67/07/31/591670731.db2.gz MRSMENSNZJNAEN-CYBMUJFWSA-N 2 0 248.374 1.202 20 0 BDADRP C[NH2+]C[C@H]1CCCCN1CC1CC[NH2+]CC1 ZINC000883448469 591671618 /nfs/dbraw/zinc/67/16/18/591671618.db2.gz FYFUBCXUAPJJQO-CYBMUJFWSA-N 2 0 225.380 1.060 20 0 BDADRP CC(C)[NH2+]CCC(=O)N(C)C1CCC([NH3+])CC1 ZINC000131990469 591682639 /nfs/dbraw/zinc/68/26/39/591682639.db2.gz VRYIUXQMWPRHAY-UHFFFAOYSA-N 2 0 241.379 1.103 20 0 BDADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000884036251 591817715 /nfs/dbraw/zinc/81/77/15/591817715.db2.gz RCODOFMZBDKLHZ-AAEUAGOBSA-N 2 0 243.395 1.110 20 0 BDADRP [NH3+][C@H](CC1CC1)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000884298723 591897908 /nfs/dbraw/zinc/89/79/08/591897908.db2.gz BPFPMLOZRIIGGV-CYBMUJFWSA-N 2 0 245.326 1.356 20 0 BDADRP CC1(C)[C@H](NC(=O)c2cccc(C[NH3+])c2)C[C@@H]1[NH3+] ZINC000884358634 591912584 /nfs/dbraw/zinc/91/25/84/591912584.db2.gz USLIKIQOBWPGIU-NWDGAFQWSA-N 2 0 247.342 1.001 20 0 BDADRP C[NH2+][C@@H](CC(C)C)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000884401667 591925458 /nfs/dbraw/zinc/92/54/58/591925458.db2.gz XEEMVZWJJOBQMR-NEPJUHHUSA-N 2 0 243.395 1.077 20 0 BDADRP C[C@@H](c1ccncc1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217504934 592116932 /nfs/dbraw/zinc/11/69/32/592116932.db2.gz WYORQDPAPJCERW-RYUDHWBXSA-N 2 0 219.332 1.813 20 0 BDADRP CCC[N@H+](C)C[C@H]1CCN(CC(OC)OC)C1 ZINC000136777926 592149864 /nfs/dbraw/zinc/14/98/64/592149864.db2.gz VOIZLZOKUHBUHA-GFCCVEGCSA-N 2 0 244.379 1.269 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]Cc1ccc(Cl)nc1 ZINC000138239756 592248057 /nfs/dbraw/zinc/24/80/57/592248057.db2.gz VIGFVFBMFYSGJA-MRVPVSSYSA-N 2 0 213.712 1.419 20 0 BDADRP CCC1([NH+]2CCC2)CC[NH+](CCCCO)CC1 ZINC000886711027 592309267 /nfs/dbraw/zinc/30/92/67/592309267.db2.gz LQYVYPYAZQMGEV-UHFFFAOYSA-N 2 0 240.391 1.709 20 0 BDADRP CCC1([NH+]2CCC2)CC[NH+](CC[C@@H](C)O)CC1 ZINC000886717581 592310831 /nfs/dbraw/zinc/31/08/31/592310831.db2.gz CTDJVXRFUSZGAB-CYBMUJFWSA-N 2 0 240.391 1.708 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](C[C@@H]2C[C@]23CCOC3)CC1 ZINC000886827684 592351760 /nfs/dbraw/zinc/35/17/60/592351760.db2.gz PUTIUGVVBXJZHU-UBHSHLNASA-N 2 0 238.375 1.472 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@H]1C[C@@]12CCOC2 ZINC000886839842 592360500 /nfs/dbraw/zinc/36/05/00/592360500.db2.gz NGVKUTUNNVNHHS-MBNYWOFBSA-N 2 0 238.375 1.391 20 0 BDADRP COCCC[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886873956 592377147 /nfs/dbraw/zinc/37/71/47/592377147.db2.gz CIWXNGBSQKRUSP-ZDUSSCGKSA-N 2 0 226.364 1.489 20 0 BDADRP C[C@H]1CCC[N@H+](CCNC(=[NH2+])NCC2CC2)C1 ZINC000887348758 592484747 /nfs/dbraw/zinc/48/47/47/592484747.db2.gz WCIKRULCSVKTOA-NSHDSACASA-N 2 0 238.379 1.242 20 0 BDADRP C[C@@H]1CCCC[N@@H+]1CCNC(=[NH2+])NCC(F)F ZINC000887348826 592485390 /nfs/dbraw/zinc/48/53/90/592485390.db2.gz YTEDEZGSAHUGIG-SECBINFHSA-N 2 0 248.321 1.240 20 0 BDADRP Cn1nccc1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300064745 592502619 /nfs/dbraw/zinc/50/26/19/592502619.db2.gz MMPSGKNJRDOAKP-JSGCOSHPSA-N 2 0 248.374 1.179 20 0 BDADRP C[C@H](COCC1CC1)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925703350 634379075 /nfs/dbraw/zinc/37/90/75/634379075.db2.gz TWKQQWLZSNJJOB-WXHSDQCUSA-N 2 0 238.375 1.661 20 0 BDADRP CO[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@@H]1C ZINC000299911463 634398580 /nfs/dbraw/zinc/39/85/80/634398580.db2.gz MSPWSZALLZWYSW-QNWHQSFQSA-N 2 0 226.364 1.471 20 0 BDADRP CCC[N@@H+]1CC[C@@H](N[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925708246 634399241 /nfs/dbraw/zinc/39/92/41/634399241.db2.gz REBWWOABXNGTOX-VXGBXAGGSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)O1 ZINC000299996642 634405853 /nfs/dbraw/zinc/40/58/53/634405853.db2.gz RVXLTDWZUZCOTI-UMSGYPCISA-N 2 0 226.364 1.471 20 0 BDADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]Cc1ncccn1 ZINC000925711663 634412589 /nfs/dbraw/zinc/41/25/89/634412589.db2.gz ZLVAGDJDQCREAE-KCXRBIIJSA-N 2 0 246.358 1.472 20 0 BDADRP C[N@H+](CCCC[NH2+]C1CSC1)C1CC1 ZINC000651599748 634445840 /nfs/dbraw/zinc/44/58/40/634445840.db2.gz FLOOUASAFYCPQG-UHFFFAOYSA-N 2 0 214.378 1.566 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CC[C@@H]1CCCOC1 ZINC000925720777 634459693 /nfs/dbraw/zinc/45/96/93/634459693.db2.gz IYPJYGLVURNGJU-RYUDHWBXSA-N 2 0 226.364 1.533 20 0 BDADRP Cc1cn(C)nc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257700074 634473743 /nfs/dbraw/zinc/47/37/43/634473743.db2.gz PVUISJLYDHXNDF-UHFFFAOYSA-N 2 0 248.374 1.304 20 0 BDADRP [NH3+]C1CC2CCCC(C1)C2[NH2+]CC1CC(O)C1 ZINC000925729459 634544895 /nfs/dbraw/zinc/54/48/95/634544895.db2.gz JSVUYDAPPAREDE-WBZFGESHSA-N 2 0 238.375 1.253 20 0 BDADRP CC1(C)[C@@H]([NH2+]C[C@H]2C[C@H](O)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925730172 634554639 /nfs/dbraw/zinc/55/46/39/634554639.db2.gz OHDCFJGXWJJSQU-KVSVUVNWSA-N 2 0 238.375 1.124 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000925735650 634587146 /nfs/dbraw/zinc/58/71/46/634587146.db2.gz HVPVZQYEZCNOAX-ZDEQEGDKSA-N 2 0 226.364 1.389 20 0 BDADRP OCCCCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000224780593 635395831 /nfs/dbraw/zinc/39/58/31/635395831.db2.gz LWHDFAATPMXIRW-UONOGXRCSA-N 2 0 240.391 1.756 20 0 BDADRP Cc1ccc(OCC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107572802 635400130 /nfs/dbraw/zinc/40/01/30/635400130.db2.gz GPMWGFFLDBRDJY-KBPBESRZSA-N 2 0 246.354 1.525 20 0 BDADRP COCC(C)(C)C[NH2+]C[C@H]1CCC[NH2+]1 ZINC000261530035 635495218 /nfs/dbraw/zinc/49/52/18/635495218.db2.gz XHDPAVZLMGODKV-SNVBAGLBSA-N 2 0 200.326 1.001 20 0 BDADRP C[C@@H]([NH2+]C[C@]12CCC[C@H]1OCC2)[C@H]1CCC[NH2+]1 ZINC000925835333 635486188 /nfs/dbraw/zinc/48/61/88/635486188.db2.gz RWQJFISAULYWJO-AAVRWANBSA-N 2 0 238.375 1.676 20 0 BDADRP COC(C)(C)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000231026202 635494613 /nfs/dbraw/zinc/49/46/13/635494613.db2.gz SGEALWIVQDCTEL-NWDGAFQWSA-N 2 0 228.380 1.874 20 0 BDADRP Cc1cc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)nc(N)[nH+]1 ZINC000107830175 635486743 /nfs/dbraw/zinc/48/67/43/635486743.db2.gz CZBHGXOQQSNSSI-WDEREUQCSA-N 2 0 247.346 1.406 20 0 BDADRP C[C@@H]1C[N@H+](C[C@]2(C)CCC[NH2+]C2)CCS1 ZINC000123455963 635514625 /nfs/dbraw/zinc/51/46/25/635514625.db2.gz GANIYAZILFWTOJ-VXGBXAGGSA-N 2 0 228.405 1.813 20 0 BDADRP CC[C@@H]1C[N@H+](CCCCCCO)CC[C@@H]1[NH3+] ZINC000233909397 635545284 /nfs/dbraw/zinc/54/52/84/635545284.db2.gz VCHLNCUGOOMGCH-OLZOCXBDSA-N 2 0 228.380 1.598 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCS[C@H](C)C1)C1C[NH2+]C1 ZINC000925857583 635548647 /nfs/dbraw/zinc/54/86/47/635548647.db2.gz HNTAKWVAQSDMKE-FXPVBKGRSA-N 2 0 214.378 1.468 20 0 BDADRP C[C@H]([NH2+][C@H]1CCS[C@H](C)C1)C1C[NH2+]C1 ZINC000925857607 635548802 /nfs/dbraw/zinc/54/88/02/635548802.db2.gz HNTAKWVAQSDMKE-YWVKMMECSA-N 2 0 214.378 1.468 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCCCCCO ZINC000236200944 635597136 /nfs/dbraw/zinc/59/71/36/635597136.db2.gz HJZAQTYHJLTYEH-OLZOCXBDSA-N 2 0 228.380 1.646 20 0 BDADRP Cc1ccc(NCC[NH2+][C@@H]2CCC[C@H]2[NH3+])nc1 ZINC000925878218 635606348 /nfs/dbraw/zinc/60/63/48/635606348.db2.gz RRZUJOJEOFKCNG-VXGBXAGGSA-N 2 0 234.347 1.271 20 0 BDADRP c1ccc2c(c1)CC[C@H]2[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090319962 631245398 /nfs/dbraw/zinc/24/53/98/631245398.db2.gz PDMSULQHSGZRPK-VNHYZAJKSA-N 2 0 228.339 1.825 20 0 BDADRP C(CN1CC[C@@]2(CCC[NH2+]2)C1)C1CC[NH2+]CC1 ZINC000334979406 631338740 /nfs/dbraw/zinc/33/87/40/631338740.db2.gz GSODKGQSRNZBAV-AWEZNQCLSA-N 2 0 237.391 1.204 20 0 BDADRP CC(C)([NH3+])CC[NH2+]C[C@H]1CCCOC1 ZINC000308561472 631432311 /nfs/dbraw/zinc/43/23/11/631432311.db2.gz XOKBLFPRDBMFSQ-SNVBAGLBSA-N 2 0 200.326 1.130 20 0 BDADRP Cc1cc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)nc(N)[nH+]1 ZINC000091807115 631542579 /nfs/dbraw/zinc/54/25/79/631542579.db2.gz PQMUKNHEDCHNLN-MNOVXSKESA-N 2 0 247.346 1.040 20 0 BDADRP [NH3+]CCC[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000051356165 631567623 /nfs/dbraw/zinc/56/76/23/631567623.db2.gz AXEZEKUEJFOZMO-HNNXBMFYSA-N 2 0 244.338 1.812 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H]2CCO)CC1 ZINC000893724122 635626643 /nfs/dbraw/zinc/62/66/43/635626643.db2.gz SNYJEWAYSJNQPI-KGLIPLIRSA-N 2 0 240.391 1.469 20 0 BDADRP COC[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000234703642 631666331 /nfs/dbraw/zinc/66/63/31/631666331.db2.gz WRKLOPRUANJEPS-UONOGXRCSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000251784757 631681530 /nfs/dbraw/zinc/68/15/30/631681530.db2.gz UHOFJGCSUPNFGM-AGIUHOORSA-N 2 0 236.363 1.379 20 0 BDADRP C[C@H](CCO)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000309015665 631800704 /nfs/dbraw/zinc/80/07/04/631800704.db2.gz UHZCDKSKCDVDCW-VOMCLLRMSA-N 2 0 214.353 1.220 20 0 BDADRP C[C@@H](CCO)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000309015664 631801224 /nfs/dbraw/zinc/80/12/24/631801224.db2.gz UHZCDKSKCDVDCW-UNXYVOJBSA-N 2 0 214.353 1.220 20 0 BDADRP CSCC[C@@H](C)[N@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000235041477 631864324 /nfs/dbraw/zinc/86/43/24/631864324.db2.gz OHKDYJMHJDDJHS-UTUOFQBUSA-N 2 0 230.421 1.915 20 0 BDADRP CC[C@H](CO)[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000049752932 631913499 /nfs/dbraw/zinc/91/34/99/631913499.db2.gz XEKCHCHNOYPXCX-NEPJUHHUSA-N 2 0 214.353 1.221 20 0 BDADRP CC[C@@H](CO)[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000049752934 631914491 /nfs/dbraw/zinc/91/44/91/631914491.db2.gz XEKCHCHNOYPXCX-NWDGAFQWSA-N 2 0 214.353 1.221 20 0 BDADRP C[NH+](C)[C@H]1CCCN(C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000091395361 631956641 /nfs/dbraw/zinc/95/66/41/631956641.db2.gz WRCBAMMXBPIVEL-KBPBESRZSA-N 2 0 239.407 1.402 20 0 BDADRP [NH2+]=C(NCC[NH+]1CCCCCC1)NC1CC1 ZINC000052043201 632053739 /nfs/dbraw/zinc/05/37/39/632053739.db2.gz NEORLSGWYWGTQT-UHFFFAOYSA-N 2 0 224.352 1.139 20 0 BDADRP CCCNC(=[NH2+])NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000052043284 632054047 /nfs/dbraw/zinc/05/40/47/632054047.db2.gz RMSGYSUDPRNDJT-LLVKDONJSA-N 2 0 226.368 1.241 20 0 BDADRP CC[N@@H+]1CC[C@H](CNC(=[NH2+])NC(C)(C)C)C1 ZINC000052042187 632054136 /nfs/dbraw/zinc/05/41/36/632054136.db2.gz OBCCQYUFYGISDS-SNVBAGLBSA-N 2 0 226.368 1.241 20 0 BDADRP CCCNC(=[NH2+])NC[C@@H](C)[NH+]1CCCCC1 ZINC000052042786 632054305 /nfs/dbraw/zinc/05/43/05/632054305.db2.gz SYWJISGGIZZVOT-LLVKDONJSA-N 2 0 226.368 1.385 20 0 BDADRP C[N@@H+]1CC[C@H](CNC(=[NH2+])NC2CCCCC2)C1 ZINC000052047350 632055354 /nfs/dbraw/zinc/05/53/54/632055354.db2.gz DZWWNMUEYHXIOM-LLVKDONJSA-N 2 0 238.379 1.385 20 0 BDADRP CC(C)CCOCC[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000251778621 635707060 /nfs/dbraw/zinc/70/70/60/635707060.db2.gz MUKPWTNRVOGLLA-KGLIPLIRSA-N 2 0 242.407 1.966 20 0 BDADRP C[N@H+](C[C@@H](N)CC(F)F)CC1CC[NH+](C)CC1 ZINC000310374054 635760669 /nfs/dbraw/zinc/76/06/69/635760669.db2.gz OSSHEYRISKCUHA-NSHDSACASA-N 2 0 249.349 1.243 20 0 BDADRP CC(C)C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000052424167 632402800 /nfs/dbraw/zinc/40/28/00/632402800.db2.gz SWHNSDCCUZDOSX-UHFFFAOYSA-N 2 0 227.396 1.260 20 0 BDADRP CN(CC[NH2+]C(C)(C)C)CC1CC[NH+](C)CC1 ZINC000063120663 632536712 /nfs/dbraw/zinc/53/67/12/632536712.db2.gz QBWVVFUQMMYOAM-UHFFFAOYSA-N 2 0 241.423 1.648 20 0 BDADRP C1C[NH2+][C@@H]([C@@H]2CCC[C@H]2[NH2+][C@@H]2CCCOC2)C1 ZINC000250672286 632544678 /nfs/dbraw/zinc/54/46/78/632544678.db2.gz VLLHPIXBQIXUPB-XJFOESAGSA-N 2 0 238.375 1.676 20 0 BDADRP C[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000251147063 632545425 /nfs/dbraw/zinc/54/54/25/632545425.db2.gz XRJGGBGMEBIIGQ-XJFOESAGSA-N 2 0 239.407 1.447 20 0 BDADRP CCCC[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000309847735 632675477 /nfs/dbraw/zinc/67/54/77/632675477.db2.gz HLHZFKQNJXFCRJ-UHFFFAOYSA-N 2 0 227.396 1.402 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCOCC2(C)C)CC[NH2+]1 ZINC000235368752 632680710 /nfs/dbraw/zinc/68/07/10/632680710.db2.gz ANNDEBCMAWPCFP-VXGBXAGGSA-N 2 0 226.364 1.485 20 0 BDADRP CO[C@@H](C[NH2+]CC1CC[NH+](C)CC1)C(C)C ZINC000310374989 632734387 /nfs/dbraw/zinc/73/43/87/632734387.db2.gz ZGSQXZVVTANNDI-ZDUSSCGKSA-N 2 0 228.380 1.589 20 0 BDADRP C[C@@H]1CC[C@@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000310423508 632737625 /nfs/dbraw/zinc/73/76/25/632737625.db2.gz ZOAIAOIDMNZQOJ-OLZOCXBDSA-N 2 0 239.407 1.401 20 0 BDADRP CC[C@H](C[C@](C)(O)CC)[NH2+]CCC[NH+](C)C ZINC000924542082 632792799 /nfs/dbraw/zinc/79/27/99/632792799.db2.gz YWKZNKWQSURHKO-CHWSQXEVSA-N 2 0 230.396 1.857 20 0 BDADRP C[C@@H]1COC[C@@H](C)C1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000926667002 632794574 /nfs/dbraw/zinc/79/45/74/632794574.db2.gz XKPIETHZLVTOTR-LPWJVIDDSA-N 2 0 240.391 1.587 20 0 BDADRP C[C@H]1C[C@@H](C[N@@H+]2CCN(C)C(C)(C)C2)CC[NH2+]1 ZINC000235699149 632816080 /nfs/dbraw/zinc/81/60/80/632816080.db2.gz ROGVIVRVGUANSR-STQMWFEESA-N 2 0 239.407 1.401 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000235722330 632821632 /nfs/dbraw/zinc/82/16/32/632821632.db2.gz DIMIYPVGASQBTK-RVMXOQNASA-N 2 0 210.365 1.820 20 0 BDADRP C[C@H]([NH2+]C/C=C/CO)c1cccc(C[NH+](C)C)c1 ZINC000926687786 632822229 /nfs/dbraw/zinc/82/22/29/632822229.db2.gz AZRILAXYLCVXEY-IHVVCDCBSA-N 2 0 248.370 1.947 20 0 BDADRP CC(C)[C@](C)(CN)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000309302416 632911505 /nfs/dbraw/zinc/91/15/05/632911505.db2.gz UNAWTYMNCGFLLD-WOPDTQHZSA-N 2 0 213.369 1.077 20 0 BDADRP C[N@H+](CCC[NH+]1CCCC1)C[C@H](O)C1CC1 ZINC000162562274 633031002 /nfs/dbraw/zinc/03/10/02/633031002.db2.gz DKFFJNFBVDZLFS-ZDUSSCGKSA-N 2 0 226.364 1.175 20 0 BDADRP CC[N@H+](C)C[C@@H]1CCN(c2cc[nH+]cc2CO)C1 ZINC000892730803 633204960 /nfs/dbraw/zinc/20/49/60/633204960.db2.gz KKIYIHBAAXWVFZ-LBPRGKRZSA-N 2 0 249.358 1.352 20 0 BDADRP CC(C)SCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328525482 633770628 /nfs/dbraw/zinc/77/06/28/633770628.db2.gz IZXHVFOEMQPSDC-JZRPKSSGSA-N 2 0 240.416 1.714 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000925506086 633837667 /nfs/dbraw/zinc/83/76/67/633837667.db2.gz VZHUEYUVBVVXGG-KYKFVJMVSA-N 2 0 238.375 1.395 20 0 BDADRP CC[N@@H+]1CCC[C@H]1CN[C@@H]1CC[NH2+]C1(C)C ZINC000925509918 633848975 /nfs/dbraw/zinc/84/89/75/633848975.db2.gz PVMWKUDOETYUTQ-NWDGAFQWSA-N 2 0 225.380 1.201 20 0 BDADRP CC[N@@H+]1CCC[C@H]1CN[C@H]1CC[NH2+]C1(C)C ZINC000925509919 633849266 /nfs/dbraw/zinc/84/92/66/633849266.db2.gz PVMWKUDOETYUTQ-RYUDHWBXSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)C[C@H](C)O ZINC000925511005 633851042 /nfs/dbraw/zinc/85/10/42/633851042.db2.gz DKVNANZJTSIHGE-AGIUHOORSA-N 2 0 240.391 1.658 20 0 BDADRP C[C@@H](CNC(=[NH2+])NC1CCCC1)C[NH+](C)C ZINC000309724780 633997049 /nfs/dbraw/zinc/99/70/49/633997049.db2.gz CUNCQMNHVSIVCJ-JTQLQIEISA-N 2 0 226.368 1.241 20 0 BDADRP COC[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000053196307 634069801 /nfs/dbraw/zinc/06/98/01/634069801.db2.gz VFEJOARJEMMJPT-QWHCGFSZSA-N 2 0 228.380 1.733 20 0 BDADRP CC[C@@H](C)[N@H+](C)CCN[C@@H]1CC[NH2+]C12CCC2 ZINC000925578542 634078243 /nfs/dbraw/zinc/07/82/43/634078243.db2.gz WVKJGADXRGFXHN-CHWSQXEVSA-N 2 0 239.407 1.591 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@@H]1CC[NH2+]C12CCC2 ZINC000925578544 634079057 /nfs/dbraw/zinc/07/90/57/634079057.db2.gz WVKJGADXRGFXHN-QWHCGFSZSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@](O)(C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)C1CC1 ZINC000925608692 634143848 /nfs/dbraw/zinc/14/38/48/634143848.db2.gz HPIFGUVZUMINFY-YRGRVCCFSA-N 2 0 240.391 1.643 20 0 BDADRP C[C@@H](CCO)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925614374 634156465 /nfs/dbraw/zinc/15/64/65/634156465.db2.gz XZGHVCJBXAVIFY-JSGCOSHPSA-N 2 0 236.359 1.827 20 0 BDADRP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C2(C)C)CCO1 ZINC000925616382 634161655 /nfs/dbraw/zinc/16/16/55/634161655.db2.gz RXHHAIZNSAADEX-RWMBFGLXSA-N 2 0 240.391 1.920 20 0 BDADRP COCCC(C)(C)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925640659 634188311 /nfs/dbraw/zinc/18/83/11/634188311.db2.gz UCZPHWGTLJOMOW-NSHDSACASA-N 2 0 228.380 1.779 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2CCO)C12CCC2 ZINC000925641800 634189704 /nfs/dbraw/zinc/18/97/04/634189704.db2.gz CEIQKEFYRPJAMR-XQHKEYJVSA-N 2 0 238.375 1.397 20 0 BDADRP C/C=C\C[C@H](CO)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925642177 634190257 /nfs/dbraw/zinc/19/02/57/634190257.db2.gz ROGXIURUVWFVEK-YYAQPZEXSA-N 2 0 224.348 1.173 20 0 BDADRP CO[C@H](C)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925645210 634197818 /nfs/dbraw/zinc/19/78/18/634197818.db2.gz OSFXFJSYYKNPEP-MRVWCRGKSA-N 2 0 240.391 1.779 20 0 BDADRP CCC[N@@H+]1CCC[C@H]1CN[C@@H]1CCC[NH2+][C@H]1C ZINC000925670391 634251998 /nfs/dbraw/zinc/25/19/98/634251998.db2.gz JMPUAHGTPHFHAB-MELADBBJSA-N 2 0 239.407 1.591 20 0 BDADRP Cc1nccnc1CC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925677724 634272621 /nfs/dbraw/zinc/27/26/21/634272621.db2.gz ZLPJSRAKIFABRM-STQMWFEESA-N 2 0 246.358 1.187 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925678678 634274186 /nfs/dbraw/zinc/27/41/86/634274186.db2.gz FTYOOEYEJQVQSB-UPJWGTAASA-N 2 0 242.407 1.891 20 0 BDADRP CC[C@H](C)[C@@H](CN[C@@H]1CC[NH2+]C12CCC2)OC ZINC000925678979 634276222 /nfs/dbraw/zinc/27/62/22/634276222.db2.gz GUDSOHPALVBXGD-YNEHKIRRSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]1NCCC[C@@H]1[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000925686979 634302521 /nfs/dbraw/zinc/30/25/21/634302521.db2.gz YAGYTWSUVNGZRK-MJBXVCDLSA-N 3 0 239.407 1.448 20 0 BDADRP CC[NH2+]CCCN[C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925689831 634308318 /nfs/dbraw/zinc/30/83/18/634308318.db2.gz ISTSMJQIBITGIH-GXTWGEPZSA-N 2 0 235.375 1.664 20 0 BDADRP COCC[N@H+](C)CCC[NH2+]C[C@H]1CCC=CO1 ZINC000194206278 634310293 /nfs/dbraw/zinc/31/02/93/634310293.db2.gz RMGFSIUIMBXCGR-CYBMUJFWSA-N 2 0 242.363 1.237 20 0 BDADRP CC(C)[C@@H]([NH3+])CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925690090 634312831 /nfs/dbraw/zinc/31/28/31/634312831.db2.gz DWJZETZZDMHFDG-NWDGAFQWSA-N 2 0 225.380 1.234 20 0 BDADRP CC(C)[NH2+]CCCN[C@H]1CCC[NH2+][C@@H]1C ZINC000925690828 634314136 /nfs/dbraw/zinc/31/41/36/634314136.db2.gz HUAIVUDAPSTLPC-NEPJUHHUSA-N 2 0 213.369 1.105 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@H]1CCC[C@@H](CO)C1 ZINC000925691149 634316138 /nfs/dbraw/zinc/31/61/38/634316138.db2.gz LWIRFUBRPBOIBO-WOPDTQHZSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@H]([NH3+])CCN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925691790 634320124 /nfs/dbraw/zinc/32/01/24/634320124.db2.gz JUSYVQYMORMTOC-YUTCNCBUSA-N 2 0 239.407 1.482 20 0 BDADRP CC[NH2+]CCN[C@@H](CCC[NH3+])c1ccccc1 ZINC000925692597 634324535 /nfs/dbraw/zinc/32/45/35/634324535.db2.gz NDXFFPICOXFLJC-AWEZNQCLSA-N 2 0 235.375 1.666 20 0 BDADRP CC[NH2+]CCN[C@H](CCC[NH3+])c1ccccc1 ZINC000925692598 634326086 /nfs/dbraw/zinc/32/60/86/634326086.db2.gz NDXFFPICOXFLJC-CQSZACIVSA-N 2 0 235.375 1.666 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1NCc1ccc(CC[NH3+])cc1 ZINC000925694289 634337627 /nfs/dbraw/zinc/33/76/27/634337627.db2.gz RTSKZUVEYGIXJH-WFASDCNBSA-N 2 0 247.386 1.418 20 0 BDADRP CC1(C)C[C@@H]([NH2+][C@H]2C[C@@H](O)C2)C[C@@H]([NH3+])C1 ZINC000925695461 634348318 /nfs/dbraw/zinc/34/83/18/634348318.db2.gz XASBXICYWZDQEM-ZNSHCXBVSA-N 2 0 212.337 1.005 20 0 BDADRP C[C@H]([NH3+])[C@@H](N[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000925695949 634352505 /nfs/dbraw/zinc/35/25/05/634352505.db2.gz YWYRFVNKMFOMKA-CYZMBNFOSA-N 2 0 219.332 1.026 20 0 BDADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ncc[nH]1 ZINC000925697320 634359803 /nfs/dbraw/zinc/35/98/03/634359803.db2.gz DLOQYPZZOAMUJJ-JTQLQIEISA-N 2 0 222.336 1.450 20 0 BDADRP CC1(C)C[C@@H](NC[C@H]2CC[NH2+]C2)C[C@@H]([NH3+])C1 ZINC000925698192 634363465 /nfs/dbraw/zinc/36/34/65/634363465.db2.gz JJUFPDBWUHLAKX-TUAOUCFPSA-N 2 0 225.380 1.092 20 0 BDADRP CCC([NH3+])(CC)CN[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925699057 634366558 /nfs/dbraw/zinc/36/65/58/634366558.db2.gz MPYIDDNAHIJDJG-RYUDHWBXSA-N 2 0 241.423 2.000 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000925699269 634366668 /nfs/dbraw/zinc/36/66/68/634366668.db2.gz JUHMGQQUQIYGHW-SRVKXCTJSA-N 2 0 223.364 1.001 20 0 BDADRP C[C@H]([NH3+])[C@@H](NC[C@H]([NH3+])C1CC1)c1ccccc1 ZINC000925700012 634368424 /nfs/dbraw/zinc/36/84/24/634368424.db2.gz QXCCXROWOCXKLL-LEWSCRJBSA-N 2 0 233.359 1.402 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925699934 634368748 /nfs/dbraw/zinc/36/87/48/634368748.db2.gz QNQJBPKHBVEXIJ-GRYCIOLGSA-N 2 0 225.380 1.363 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CC[NH2+]C12CCCC2 ZINC000925699992 634368823 /nfs/dbraw/zinc/36/88/23/634368823.db2.gz MOAYREHYBMMXDF-RWMBFGLXSA-N 2 0 237.391 1.391 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H](N[C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925700518 634371009 /nfs/dbraw/zinc/37/10/09/634371009.db2.gz QTPURTUBPRVSDF-UPJWGTAASA-N 2 0 237.391 1.521 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925700840 634372462 /nfs/dbraw/zinc/37/24/62/634372462.db2.gz WVJBCOJBZHMKCF-GXTWGEPZSA-N 3 0 235.375 1.651 20 0 BDADRP COC[C@H]([NH2+]Cc1cc(N)ccn1)C1CCCC1 ZINC000925768430 635189342 /nfs/dbraw/zinc/18/93/42/635189342.db2.gz UKTPTBFKBBXOCR-AWEZNQCLSA-N 2 0 249.358 1.959 20 0 BDADRP C[N@H+](CCc1ccccc1F)C[C@H]1CC[NH2+]C1 ZINC000258891860 635220976 /nfs/dbraw/zinc/22/09/76/635220976.db2.gz LKMITLIQSDTLND-LBPRGKRZSA-N 2 0 236.334 1.910 20 0 BDADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[NH3+])C1CCOCC1 ZINC000259083862 635241677 /nfs/dbraw/zinc/24/16/77/635241677.db2.gz RHZJZTDIBOJHRM-QWHCGFSZSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCC[C@]12CCCO2)C1C[NH2+]C1 ZINC000925775044 635241883 /nfs/dbraw/zinc/24/18/83/635241883.db2.gz ZCYBTZPGMCSSKW-RTXFEEFZSA-N 2 0 224.348 1.286 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925778100 635260848 /nfs/dbraw/zinc/26/08/48/635260848.db2.gz RJGQAIFXAHEMDP-MXWKQRLJSA-N 2 0 248.317 1.246 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c2nccn21 ZINC000925801581 635349035 /nfs/dbraw/zinc/34/90/35/635349035.db2.gz BLPXMPBCCBVOKP-FDYHWXHSSA-N 2 0 248.374 1.724 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCn2ccnc21 ZINC000925802031 635350077 /nfs/dbraw/zinc/35/00/77/635350077.db2.gz CRAVEWZPMGRFKW-UTUOFQBUSA-N 2 0 234.347 1.163 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925803757 635354316 /nfs/dbraw/zinc/35/43/16/635354316.db2.gz UQHXJIYLXRDMQP-JHJVBQTASA-N 3 0 227.396 1.339 20 0 BDADRP CC(C)[C@@H]([NH2+]CCN1CCC([NH3+])CC1)C1CC1 ZINC000925816121 635385235 /nfs/dbraw/zinc/38/52/35/635385235.db2.gz VQFTWRVELOECKN-CQSZACIVSA-N 2 0 239.407 1.434 20 0 BDADRP C[C@H](NC[C@]12CCC[C@H]1[NH2+]CC2)[C@H]1CCC[NH2+]1 ZINC000925837850 635496249 /nfs/dbraw/zinc/49/62/49/635496249.db2.gz IKFGIDHBEODRQL-REWJHTLYSA-N 2 0 237.391 1.249 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCS[C@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000925860752 635553282 /nfs/dbraw/zinc/55/32/82/635553282.db2.gz KWGRFESMCQHOKJ-WISYIIOYSA-N 2 0 228.405 1.858 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cc(C2CC2)nn1C ZINC000925873047 635591934 /nfs/dbraw/zinc/59/19/34/635591934.db2.gz DXKXXDXYWJYZKK-VHSXEESVSA-N 2 0 236.363 1.513 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1c2ccccc2CC[C@H]1O ZINC000925891410 635618347 /nfs/dbraw/zinc/61/83/47/635618347.db2.gz VKPORXISTUYFCC-AZHAFVHUSA-N 2 0 248.370 1.750 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000126297006 635757638 /nfs/dbraw/zinc/75/76/38/635757638.db2.gz JPSZMFZUMSQWFB-NDBYEHHHSA-N 2 0 208.349 1.574 20 0 BDADRP CC(C)(C)NC(=[NH2+])NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000052042173 636670313 /nfs/dbraw/zinc/67/03/13/636670313.db2.gz NUFRUHZQHADTSQ-SNVBAGLBSA-N 2 0 238.379 1.383 20 0 BDADRP COC[C@@H](C)C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000897621486 636825721 /nfs/dbraw/zinc/82/57/21/636825721.db2.gz CZNVCFBVHKBOKL-RWMBFGLXSA-N 2 0 226.364 1.152 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)O1 ZINC000322401581 636863245 /nfs/dbraw/zinc/86/32/45/636863245.db2.gz VCMXVCHFPCDXIT-RKFYDKJMSA-N 2 0 238.375 1.769 20 0 BDADRP C[C@H]([NH2+][C@H]1C[C@H](CO)C1)C1CC[NH+](C)CC1 ZINC000927150199 637058533 /nfs/dbraw/zinc/05/85/33/637058533.db2.gz KHZVAVWKQDPAGU-GVXVVHGQSA-N 2 0 226.364 1.077 20 0 BDADRP CCON1CCC([NH2+][C@@H](C)CC[NH+](C)C)CC1 ZINC000323530098 637084603 /nfs/dbraw/zinc/08/46/03/637084603.db2.gz WPVVSAUIUJHVRB-LBPRGKRZSA-N 2 0 243.395 1.332 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H](CCO)C2CC2)C1 ZINC000902363078 637300476 /nfs/dbraw/zinc/30/04/76/637300476.db2.gz UCGSFOMKGFYKHV-CHWSQXEVSA-N 2 0 240.391 1.515 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@@H](O)C1CC1 ZINC000903412041 637359590 /nfs/dbraw/zinc/35/95/90/637359590.db2.gz RXGGECQKXSFZCD-RBKKPWLPSA-N 2 0 238.375 1.077 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCCC[C@H]2CCO)C1 ZINC000903463962 637364868 /nfs/dbraw/zinc/36/48/68/637364868.db2.gz UMTQPRWHOJNKRB-XQQFMLRXSA-N 2 0 226.364 1.351 20 0 BDADRP C[NH2+]C[C@@H]1CCCCN1CC[C@@H]1CC[NH2+]C1 ZINC000903528998 637367277 /nfs/dbraw/zinc/36/72/77/637367277.db2.gz BBLDTENHCWACIH-STQMWFEESA-N 2 0 225.380 1.060 20 0 BDADRP C[N@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)CC(C)(C)C ZINC000903721435 637377308 /nfs/dbraw/zinc/37/73/08/637377308.db2.gz AHPATWDKRAZGMH-GXTWGEPZSA-N 2 0 240.391 1.733 20 0 BDADRP CC(C)(C)[NH2+]CCN1CC[C@]2(C1)CCCC[NH2+]2 ZINC000904429380 637398836 /nfs/dbraw/zinc/39/88/36/637398836.db2.gz GEFMIBUJWZFJEZ-AWEZNQCLSA-N 2 0 239.407 1.593 20 0 BDADRP [NH3+]C1CCC([NH2+]Cc2cncc(O)c2)CC1 ZINC000904432837 637400320 /nfs/dbraw/zinc/40/03/20/637400320.db2.gz HNFSDXBNAJBJCT-UHFFFAOYSA-N 2 0 221.304 1.147 20 0 BDADRP CC[C@@H]1C[C@@H](C[NH2+][C@H]2C[NH2+]CC2(C)C)CCO1 ZINC000904461276 637404740 /nfs/dbraw/zinc/40/47/40/637404740.db2.gz GXTNVEQTAQBBFQ-XQQFMLRXSA-N 2 0 240.391 1.779 20 0 BDADRP CC[C@@H]1C[C@@H](C[NH2+][C@@H]2C[NH2+]CC2(C)C)CCO1 ZINC000904461277 637405162 /nfs/dbraw/zinc/40/51/62/637405162.db2.gz GXTNVEQTAQBBFQ-YNEHKIRRSA-N 2 0 240.391 1.779 20 0 BDADRP CC1(C)C[NH2+]C[C@@H]1[NH2+]C[C@H]1CCSC1 ZINC000904462202 637406354 /nfs/dbraw/zinc/40/63/54/637406354.db2.gz OJCIZCCZPRHESH-ZJUUUORDSA-N 2 0 214.378 1.327 20 0 BDADRP Cn1ccc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2N)c1 ZINC000904459876 637421360 /nfs/dbraw/zinc/42/13/60/637421360.db2.gz ZRKAMGROHGAWNX-HUUCEWRRSA-N 2 0 241.338 1.739 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000904916557 637522058 /nfs/dbraw/zinc/52/20/58/637522058.db2.gz ISTONIKCYAGVON-CHWSQXEVSA-N 2 0 243.395 1.384 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000904931585 637532904 /nfs/dbraw/zinc/53/29/04/637532904.db2.gz LSFLBVWDPPMBCY-GWCFXTLKSA-N 2 0 241.379 1.008 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000904931156 637533068 /nfs/dbraw/zinc/53/30/68/637533068.db2.gz JLUTXYMIQVAHOY-UZWSLXQKSA-N 2 0 241.379 1.007 20 0 BDADRP c1cc(OCC[C@H]2CC[NH2+]C2)cc2c1C[NH2+]C2 ZINC000905613918 637868287 /nfs/dbraw/zinc/86/82/87/637868287.db2.gz IMVGCMHVUBFOED-LLVKDONJSA-N 2 0 232.327 1.668 20 0 BDADRP COc1cc(C[NH2+][C@H]2C[C@H]([NH3+])C2)cc(OC)c1 ZINC000906507652 638178618 /nfs/dbraw/zinc/17/86/18/638178618.db2.gz BHLVEAQXAMHVSR-XYPYZODXSA-N 2 0 236.315 1.283 20 0 BDADRP Cc1ccc(C)c(C[NH2+]C2CC([NH3+])C2)c1 ZINC000906508072 638179360 /nfs/dbraw/zinc/17/93/60/638179360.db2.gz JXORVKLXHRJVGQ-UHFFFAOYSA-N 2 0 204.317 1.883 20 0 BDADRP COc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)cc1OC ZINC000906508024 638179476 /nfs/dbraw/zinc/17/94/76/638179476.db2.gz HNUZTOBQNZYQOK-XYPYZODXSA-N 2 0 236.315 1.283 20 0 BDADRP [NH3+]C1CC([NH2+]Cc2cccc(OC(F)F)c2)C1 ZINC000906510060 638183617 /nfs/dbraw/zinc/18/36/17/638183617.db2.gz MEFOGUVHAFIORN-UHFFFAOYSA-N 2 0 242.269 1.867 20 0 BDADRP CC[C@@H]1C[C@@H](C[NH2+]C2CC([NH3+])C2)CCO1 ZINC000906510128 638183708 /nfs/dbraw/zinc/18/37/08/638183708.db2.gz NDEVMAFQERYNKY-WNYYMSAVSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1C[C@H]([NH3+])C1 ZINC000906517536 638187522 /nfs/dbraw/zinc/18/75/22/638187522.db2.gz GHRPOHNJCQIUEL-CYDGBPFRSA-N 2 0 225.380 1.377 20 0 BDADRP CCCC[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000906529715 638194180 /nfs/dbraw/zinc/19/41/80/638194180.db2.gz TYXQDIXXXCFPSE-ZDUSSCGKSA-N 2 0 239.407 1.545 20 0 BDADRP Cc1ccsc1C[NH2+]CCN1CC[NH2+]CC1 ZINC000035529280 639654887 /nfs/dbraw/zinc/65/48/87/639654887.db2.gz KBFBYZNKPUDIPZ-UHFFFAOYSA-N 2 0 239.388 1.051 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)CC(C)(C)C[NH3+] ZINC000911684605 639723253 /nfs/dbraw/zinc/72/32/53/639723253.db2.gz PEEFXXQMEHVTRP-GHMZBOCLSA-N 2 0 241.379 1.090 20 0 BDADRP CC[C@H](C)C[C@H]([NH3+])C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000911712743 639739619 /nfs/dbraw/zinc/73/96/19/639739619.db2.gz DCAWRLADWIGDDR-TUAOUCFPSA-N 2 0 241.379 1.008 20 0 BDADRP CC[C@H](C)C[C@H]([NH3+])C(=O)NCCC[NH2+]C(C)C ZINC000911764470 639791763 /nfs/dbraw/zinc/79/17/63/639791763.db2.gz TWNRTKMVXWHCPA-RYUDHWBXSA-N 2 0 243.395 1.254 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)N(C)CC(C)(C)C[NH3+] ZINC000911868715 639853541 /nfs/dbraw/zinc/85/35/41/639853541.db2.gz SFYGNQXITLKHOO-NSHDSACASA-N 2 0 243.395 1.193 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)CCCC[NH2+]C ZINC000911857740 639862195 /nfs/dbraw/zinc/86/21/95/639862195.db2.gz KVQQVXOWJDZNQJ-UHFFFAOYSA-N 2 0 229.368 1.010 20 0 BDADRP CC[NH+](CC)CCCN1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931279093 640133382 /nfs/dbraw/zinc/13/33/82/640133382.db2.gz XYUMBWYPQKXDFR-WDNDVIMCSA-N 2 0 239.407 1.210 20 0 BDADRP C[C@H]1OCC[C@H]1C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931355988 640169462 /nfs/dbraw/zinc/16/94/62/640169462.db2.gz XMAWTLURBTUZGW-OLZOCXBDSA-N 2 0 240.391 1.828 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](CC3CCC3)C[C@@H]2C1 ZINC000931434915 640203814 /nfs/dbraw/zinc/20/38/14/640203814.db2.gz AXEAYWGKQQHVGX-OLZOCXBDSA-N 2 0 208.349 1.670 20 0 BDADRP CC1CC(C[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)C1 ZINC000931442334 640205057 /nfs/dbraw/zinc/20/50/57/640205057.db2.gz CRBFBWKQDLLYAN-CLRIEMFWSA-N 2 0 222.376 1.916 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](CC3CC(F)(F)C3)C[C@@H]2C1 ZINC000931439775 640206111 /nfs/dbraw/zinc/20/61/11/640206111.db2.gz ZTXDUMLHQFSLMB-NEPJUHHUSA-N 2 0 244.329 1.915 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+]([C@H]3C=CCCC3)C[C@@H]2C1 ZINC000931440354 640206408 /nfs/dbraw/zinc/20/64/08/640206408.db2.gz WPVPKGKOUCYNEW-RDBSUJKOSA-N 2 0 220.360 1.979 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931442125 640207134 /nfs/dbraw/zinc/20/71/34/640207134.db2.gz VLCFXRWZLTUUQN-XDQVBPFNSA-N 2 0 238.375 1.295 20 0 BDADRP C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2CCc1ccncc1 ZINC000931721506 640341534 /nfs/dbraw/zinc/34/15/34/640341534.db2.gz QGJDRESZEAPTBS-LSDHHAIUSA-N 2 0 245.370 1.793 20 0 BDADRP C[N@H+](Cc1ccncc1)C1CCC([NH3+])CC1 ZINC000055144368 640438413 /nfs/dbraw/zinc/43/84/13/640438413.db2.gz IWYIWKJSNYZYOU-UHFFFAOYSA-N 2 0 219.332 1.783 20 0 BDADRP CC[NH2+]CC(=O)N[C@@H](C)CCC[NH+](CC)CC ZINC000044646697 640445266 /nfs/dbraw/zinc/44/52/66/640445266.db2.gz KTLZJOKHKOQIOU-LBPRGKRZSA-N 2 0 243.395 1.223 20 0 BDADRP C[C@@H](O)C[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000164607777 640493743 /nfs/dbraw/zinc/49/37/43/640493743.db2.gz FGHMJZAXEOCMJU-GHMZBOCLSA-N 2 0 214.353 1.077 20 0 BDADRP CCO[C@H]1CC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000932976075 640660303 /nfs/dbraw/zinc/66/03/03/640660303.db2.gz DGLLIRVCUVKZIG-KGLIPLIRSA-N 2 0 240.391 1.972 20 0 BDADRP CC(C)C[C@](C)(C[NH3+])NC(=O)C[C@H]1CCC[NH2+]1 ZINC000157516096 640690525 /nfs/dbraw/zinc/69/05/25/640690525.db2.gz BNSJNLZTBZEVFY-DGCLKSJQSA-N 2 0 241.379 1.008 20 0 BDADRP COC/C(C)=C/CN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933732833 640752461 /nfs/dbraw/zinc/75/24/61/640752461.db2.gz NRQINGKMKYCCPA-ODYZYYDOSA-N 2 0 238.375 1.463 20 0 BDADRP Cc1noc(C)c1CN1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000933732350 640752546 /nfs/dbraw/zinc/75/25/46/640752546.db2.gz OKXJAWYQVWLFNG-OCCSQVGLSA-N 2 0 249.358 1.675 20 0 BDADRP COC/C(C)=C\CN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933732836 640754682 /nfs/dbraw/zinc/75/46/82/640754682.db2.gz NRQINGKMKYCCPA-WWRZCIAWSA-N 2 0 238.375 1.463 20 0 BDADRP CCC[C@H](CCO)C[NH2+]CC1CC[NH+](C)CC1 ZINC000227429968 640833890 /nfs/dbraw/zinc/83/38/90/640833890.db2.gz WJIKKVKCODNOFP-CYBMUJFWSA-N 2 0 242.407 1.717 20 0 BDADRP C[C@H](CN[C@@H]1C[C@@H]([NH3+])c2ccccc21)[NH+](C)C ZINC000227539158 640839068 /nfs/dbraw/zinc/83/90/68/640839068.db2.gz MSRNGOLBJHWBGG-LERXQTSPSA-N 2 0 233.359 1.671 20 0 BDADRP CCOCCC[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000227767181 640848385 /nfs/dbraw/zinc/84/83/85/640848385.db2.gz WCFZFUMNLKKCJT-NWDGAFQWSA-N 2 0 214.353 1.330 20 0 BDADRP C[C@@H](CO)CCC[NH2+]CC1CC[NH+](C)CC1 ZINC000228298942 640869134 /nfs/dbraw/zinc/86/91/34/640869134.db2.gz PUMLZGHFOZYSTN-GFCCVEGCSA-N 2 0 228.380 1.326 20 0 BDADRP [NH3+]CCCCCC(=O)Nc1ccc(C[NH3+])cc1 ZINC000169816776 640878728 /nfs/dbraw/zinc/87/87/28/640878728.db2.gz QCWLOSUIJJBUOY-UHFFFAOYSA-N 2 0 235.331 1.603 20 0 BDADRP C([NH2+]C[C@H]1CCC[NH2+]1)[C@H]1CCSC1 ZINC000228554462 640880954 /nfs/dbraw/zinc/88/09/54/640880954.db2.gz HAMZJYNUKJIWNP-NXEZZACHSA-N 2 0 200.351 1.081 20 0 BDADRP C[C@@H]1C[N@H+](CCCCCC[NH3+])CCCO1 ZINC000061934511 641008323 /nfs/dbraw/zinc/00/83/23/641008323.db2.gz NOYXKENRIFNVCB-GFCCVEGCSA-N 2 0 214.353 1.616 20 0 BDADRP CO[C@@H]1C[N@H+](CCCCCC[NH3+])CC[C@@H]1C ZINC000230310891 641046469 /nfs/dbraw/zinc/04/64/69/641046469.db2.gz MWWSVRWSTXDBEC-QWHCGFSZSA-N 2 0 228.380 1.862 20 0 BDADRP CCN(CCC[NH+](C)C)c1cc(C)[nH+]c(N)n1 ZINC000230743978 641091627 /nfs/dbraw/zinc/09/16/27/641091627.db2.gz MGTVGJADFQEXDW-UHFFFAOYSA-N 2 0 237.351 1.145 20 0 BDADRP Cn1cc(CC[N@@H+]2CCCC[C@H]2CC[NH3+])cn1 ZINC000230774790 641093965 /nfs/dbraw/zinc/09/39/65/641093965.db2.gz JGUCMUSYDYETLN-ZDUSSCGKSA-N 2 0 236.363 1.166 20 0 BDADRP C[NH+](C)C1CCN(C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000062862101 641099529 /nfs/dbraw/zinc/09/95/29/641099529.db2.gz RMBXIAPVVDNSQM-AWEZNQCLSA-N 2 0 239.407 1.402 20 0 BDADRP C[N@H+](CCc1ccncc1)C[C@@]1(C)CC[NH2+]C1 ZINC000062911323 641107864 /nfs/dbraw/zinc/10/78/64/641107864.db2.gz ZEEUBSAPNSAYOA-AWEZNQCLSA-N 2 0 233.359 1.556 20 0 BDADRP COC(C)(C)CC[NH2+]CC1CC[NH+](C)CC1 ZINC000231024995 641126381 /nfs/dbraw/zinc/12/63/81/641126381.db2.gz AKCJHGASKKEZLR-UHFFFAOYSA-N 2 0 228.380 1.733 20 0 BDADRP C[N@H+](C[C@@H]1CCC[C@@H]1O)CC1CC[NH+](C)CC1 ZINC000063122162 641134210 /nfs/dbraw/zinc/13/42/10/641134210.db2.gz FRDWKSYMCRMFLQ-KBPBESRZSA-N 2 0 240.391 1.421 20 0 BDADRP COc1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)cc1C ZINC000050597699 641191998 /nfs/dbraw/zinc/19/19/98/641191998.db2.gz DUVGOYJOFVSSPC-CYBMUJFWSA-N 2 0 234.343 1.784 20 0 BDADRP COCc1cccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000088555218 641367784 /nfs/dbraw/zinc/36/77/84/641367784.db2.gz DOJXMDPPSNWEFG-AWEZNQCLSA-N 2 0 234.343 1.614 20 0 BDADRP C[N@H+](CC1CC[NH2+]CC1)C[C@@H]1CCCCO1 ZINC000042466606 641551575 /nfs/dbraw/zinc/55/15/75/641551575.db2.gz LHMMVDOTRAMLRO-ZDUSSCGKSA-N 2 0 226.364 1.487 20 0 BDADRP CC[C@H](C)[N@H+](C)CCNC(=O)CCCCC[NH3+] ZINC000155641289 641575731 /nfs/dbraw/zinc/57/57/31/641575731.db2.gz GDONFELUKKAKGZ-LBPRGKRZSA-N 2 0 243.395 1.352 20 0 BDADRP C[NH+](C)C[C@H]1CC[N@H+](CC2(O)CCCCC2)C1 ZINC000156072506 641593491 /nfs/dbraw/zinc/59/34/91/641593491.db2.gz NDOBZSKSSZZGDP-CYBMUJFWSA-N 2 0 240.391 1.565 20 0 BDADRP C[C@H]1C[C@H](NC(=O)CCCCC[NH3+])CC[N@@H+]1C ZINC000157841910 641624447 /nfs/dbraw/zinc/62/44/47/641624447.db2.gz CIZFOCNLRYRHLA-NWDGAFQWSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@H]1C[C@@H](NC(=O)CCCCC[NH3+])CC[N@@H+]1C ZINC000157842224 641625325 /nfs/dbraw/zinc/62/53/25/641625325.db2.gz CIZFOCNLRYRHLA-RYUDHWBXSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@H]([NH2+]CCc1ccncc1)C1CC[NH+](C)CC1 ZINC000048261711 641682322 /nfs/dbraw/zinc/68/23/22/641682322.db2.gz QVVZNEWGQJNGQZ-ZDUSSCGKSA-N 2 0 247.386 1.944 20 0 BDADRP [NH3+]CC[C@H]1CCCC[N@@H+]1C/C=C\Cl ZINC000227166726 641728565 /nfs/dbraw/zinc/72/85/65/641728565.db2.gz WYAWJLBECPBWPE-XICOKMJESA-N 2 0 202.729 1.942 20 0 BDADRP O=c1cc(C[NH2+]CCCn2ccnc2)cc[nH]1 ZINC000921472897 642631469 /nfs/dbraw/zinc/63/14/69/642631469.db2.gz WLWBEFZHNOVUSX-UHFFFAOYSA-N 2 0 232.287 1.164 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+]C2CC[NH2+]CC2)C1(C)C ZINC000233762433 642691360 /nfs/dbraw/zinc/69/13/60/642691360.db2.gz DCYAHDZGSJRFIQ-RYUDHWBXSA-N 2 0 226.364 1.532 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H](CCO)C2CC2)CC1 ZINC000305769083 642692326 /nfs/dbraw/zinc/69/23/26/642692326.db2.gz JBPCPVUXJOTKPF-AWEZNQCLSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000069910130 642932663 /nfs/dbraw/zinc/93/26/63/642932663.db2.gz HZLSABUIZNZRBW-WYUUTHIRSA-N 2 0 228.405 1.668 20 0 BDADRP [NH3+]CCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000070188311 642990791 /nfs/dbraw/zinc/99/07/91/642990791.db2.gz ZHRYVSLATGWTSX-OAHLLOKOSA-N 2 0 248.370 1.781 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](CCCCCCO)C1 ZINC000175778448 643295610 /nfs/dbraw/zinc/29/56/10/643295610.db2.gz XJFACZQKOALODH-CQSZACIVSA-N 2 0 242.407 1.813 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)c1cccc(C[NH3+])c1 ZINC000843507989 643367513 /nfs/dbraw/zinc/36/75/13/643367513.db2.gz OKKWNCXKTHWAOG-ZJUUUORDSA-N 2 0 235.331 1.001 20 0 BDADRP C[C@]1(C[NH3+])CCN(CCSC(F)(F)F)C1 ZINC000235746307 643473933 /nfs/dbraw/zinc/47/39/33/643473933.db2.gz GAOGILIOZLUUHW-MRVPVSSYSA-N 2 0 242.310 1.910 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C(C1CC1)C1CC1 ZINC000082560682 643512089 /nfs/dbraw/zinc/51/20/89/643512089.db2.gz ZOLISUWOCRKREH-SKDRFNHKSA-N 2 0 208.349 1.620 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](Cc2ccncc2)C1 ZINC000082931359 643527680 /nfs/dbraw/zinc/52/76/80/643527680.db2.gz DBTWWQYJMWOJAV-NSHDSACASA-N 2 0 205.305 1.252 20 0 BDADRP C[C@@H](C[NH2+]Cc1cc[nH]c(=O)c1)C[NH+]1CCCC1 ZINC000921551283 643603354 /nfs/dbraw/zinc/60/33/54/643603354.db2.gz BYXVBVKTQJRXDS-LBPRGKRZSA-N 2 0 249.358 1.609 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@@H](O)c1ccccc1 ZINC000049557442 643622409 /nfs/dbraw/zinc/62/24/09/643622409.db2.gz DMFALEVWXPPXKD-TZMCWYRMSA-N 2 0 236.359 1.650 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](C[C@@H]2COc3ccccc3O2)C1 ZINC000050247656 643628505 /nfs/dbraw/zinc/62/85/05/643628505.db2.gz OMQCBWFGSZSZIK-VXGBXAGGSA-N 2 0 248.326 1.107 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@@H]1C[NH3+])c1cccnc1 ZINC000084218082 643651852 /nfs/dbraw/zinc/65/18/52/643651852.db2.gz YQIUCTPMCLRTPT-LOWVWBTDSA-N 2 0 219.332 1.860 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCC=CO2)C1 ZINC000050269651 643673507 /nfs/dbraw/zinc/67/35/07/643673507.db2.gz JWASPWOYHYZZEO-OLZOCXBDSA-N 2 0 224.348 1.611 20 0 BDADRP CCO[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000085015344 643678464 /nfs/dbraw/zinc/67/84/64/643678464.db2.gz RMBWUWHQAANPMB-FRRDWIJNSA-N 2 0 226.364 1.615 20 0 BDADRP C[N@H+](C[C@H]1CCOC1)C1CCC([NH3+])CC1 ZINC000085869315 643823957 /nfs/dbraw/zinc/82/39/57/643823957.db2.gz UQYZRDHNFCILIQ-VOMCLLRMSA-N 2 0 212.337 1.225 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](CO)C2)CC1(C)C ZINC000923004320 644227813 /nfs/dbraw/zinc/22/78/13/644227813.db2.gz BEIXTJKOEUUDLF-IJLUTSLNSA-N 2 0 226.364 1.220 20 0 BDADRP CC(C)CC[C@@H](O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000923284523 644308448 /nfs/dbraw/zinc/30/84/48/644308448.db2.gz OPLUAXUKWZYBJC-TZMCWYRMSA-N 2 0 242.407 1.843 20 0 BDADRP CCc1ncc(C[NH+]2CCC(C[NH3+])CC2)o1 ZINC000923276790 644309705 /nfs/dbraw/zinc/30/97/05/644309705.db2.gz DJXQKEPQAGBJHA-UHFFFAOYSA-N 2 0 223.320 1.408 20 0 BDADRP CCc1onc(C)c1C[NH+]1CCC(C[NH3+])CC1 ZINC000923277101 644309870 /nfs/dbraw/zinc/30/98/70/644309870.db2.gz JCQRQPJCSOJVEF-UHFFFAOYSA-N 2 0 237.347 1.716 20 0 BDADRP CC(C)CC[C@H](O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000923280906 644313453 /nfs/dbraw/zinc/31/34/53/644313453.db2.gz JTCQATBAZRIOBN-RYUDHWBXSA-N 2 0 214.353 1.064 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000923291431 644317147 /nfs/dbraw/zinc/31/71/47/644317147.db2.gz SGYSPEZMXQWBAF-SNPRPXQTSA-N 2 0 248.370 1.259 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923282961 644317668 /nfs/dbraw/zinc/31/76/68/644317668.db2.gz ZFUAMTPPLGZIGJ-CPIKKWJDSA-N 3 0 237.391 1.188 20 0 BDADRP CCCCCC[C@H](O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000923282874 644318510 /nfs/dbraw/zinc/31/85/10/644318510.db2.gz YAIOFVFTRRBRGI-STQMWFEESA-N 2 0 228.380 1.598 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](C[C@H](O)CCc2ccccc2)C1 ZINC000923282634 644318963 /nfs/dbraw/zinc/31/89/63/644318963.db2.gz XNEKVDSUQRXCCW-LSDHHAIUSA-N 2 0 248.370 1.261 20 0 BDADRP CC(C)CC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000923287395 644320511 /nfs/dbraw/zinc/32/05/11/644320511.db2.gz DROOUVPBZRZJJV-RWMBFGLXSA-N 2 0 228.380 1.453 20 0 BDADRP Cc1ccc([C@H](O)C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000923286843 644320825 /nfs/dbraw/zinc/32/08/25/644320825.db2.gz ARGXGGDRKJTYEO-BPLDGKMQSA-N 2 0 248.370 1.698 20 0 BDADRP C[N@H+](CCC[NH3+])C[C@H](O)c1ccc(F)c(F)c1 ZINC000923290844 644326003 /nfs/dbraw/zinc/32/60/03/644326003.db2.gz LSNUEHQTTRWKQA-LBPRGKRZSA-N 2 0 244.285 1.279 20 0 BDADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([NH+]2CCCCCCC2)C1 ZINC000923299937 644327363 /nfs/dbraw/zinc/32/73/63/644327363.db2.gz JQVNKNYHCNRSGT-SRVKXCTJSA-N 2 0 212.337 1.103 20 0 BDADRP [NH3+]C[C@H]1CCCN1C[C@H](O)Cc1ccccc1 ZINC000923293616 644328248 /nfs/dbraw/zinc/32/82/48/644328248.db2.gz ZGWCDUXOAKFCQX-ZIAGYGMSSA-N 2 0 234.343 1.013 20 0 BDADRP C[C@@](C[NH3+])([NH2+]C[C@H](O)CC1CCCC1)C1CC1 ZINC000923295783 644331163 /nfs/dbraw/zinc/33/11/63/644331163.db2.gz HFTDHESYCYIGCQ-KGLIPLIRSA-N 2 0 240.391 1.645 20 0 BDADRP CC(C)OCC[C@H](O)C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000923297068 644334656 /nfs/dbraw/zinc/33/46/56/644334656.db2.gz XJZVKTRPDDXQBE-STQMWFEESA-N 2 0 246.395 1.125 20 0 BDADRP CC(C)[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CCC1 ZINC000923314655 644341746 /nfs/dbraw/zinc/34/17/46/644341746.db2.gz XFVKBPGBTPSQQK-CYBMUJFWSA-N 2 0 238.375 1.628 20 0 BDADRP CCC1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923308675 644342138 /nfs/dbraw/zinc/34/21/38/644342138.db2.gz DUHKNYXSQYXGSA-ZDUSSCGKSA-N 2 0 238.375 1.487 20 0 BDADRP C[N@H+](CCC1CCCCC1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923313102 644342335 /nfs/dbraw/zinc/34/23/35/644342335.db2.gz TYYGJVJZICBIOE-IHRRRGAJSA-N 2 0 240.391 1.739 20 0 BDADRP CC1(C)CC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923312622 644342376 /nfs/dbraw/zinc/34/23/76/644342376.db2.gz KXQNHNZMHQGTAP-LLVKDONJSA-N 2 0 224.348 1.097 20 0 BDADRP CC(C)[C@H]1CC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923317574 644343219 /nfs/dbraw/zinc/34/32/19/644343219.db2.gz FJIZZLZORHRRQN-QWHCGFSZSA-N 2 0 238.375 1.343 20 0 BDADRP CCC[C@]1(C)CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923315493 644343745 /nfs/dbraw/zinc/34/37/45/644343745.db2.gz HXICIJRDSRWTIV-XDQVBPFNSA-N 2 0 240.391 1.739 20 0 BDADRP CC[C@H]1CCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923309057 644346042 /nfs/dbraw/zinc/34/60/42/644346042.db2.gz IXLYECFVRJYRIK-NWDGAFQWSA-N 2 0 224.348 1.239 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000923331078 644348596 /nfs/dbraw/zinc/34/85/96/644348596.db2.gz KFTREHQGCCXEHR-AEGPPILISA-N 2 0 248.370 1.259 20 0 BDADRP C[C@@H]1C[C@H](N(C)CCC[NH2+]C2CC2)CC[N@@H+]1C ZINC000923324342 644352388 /nfs/dbraw/zinc/35/23/88/644352388.db2.gz FKXSEZODCNLUIZ-TZMCWYRMSA-N 2 0 239.407 1.543 20 0 BDADRP CC(C)CC[C@H](O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000923333869 644355130 /nfs/dbraw/zinc/35/51/30/644355130.db2.gz YQHMKLAKCGUHDY-AVGNSLFASA-N 2 0 228.380 1.453 20 0 BDADRP CCc1ncc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)o1 ZINC000923333405 644355272 /nfs/dbraw/zinc/35/52/72/644355272.db2.gz QOVMZNYVLZJOMD-WCFLWFBJSA-N 2 0 249.358 1.796 20 0 BDADRP CC[N@H+](C[C@H](O)CSC)[C@H]1CCC[NH2+]CC1 ZINC000923336141 644357040 /nfs/dbraw/zinc/35/70/40/644357040.db2.gz QMCKFQBAJLFPQI-RYUDHWBXSA-N 2 0 246.420 1.174 20 0 BDADRP CCc1onc(C)c1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000923331931 644360924 /nfs/dbraw/zinc/36/09/24/644360924.db2.gz JKADCPABCDQIHT-WCFLWFBJSA-N 2 0 249.358 1.715 20 0 BDADRP C[C@H](NC(C[NH3+])C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000923351874 644370421 /nfs/dbraw/zinc/37/04/21/644370421.db2.gz PGVOPEOLBUZGKA-NSHDSACASA-N 2 0 249.402 1.921 20 0 BDADRP CC(C)CC[C@@H](O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000923354793 644372684 /nfs/dbraw/zinc/37/26/84/644372684.db2.gz WQRHWOAAKREDIU-UONOGXRCSA-N 2 0 242.407 1.987 20 0 BDADRP CC(C)CC[C@H](O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000923354791 644372861 /nfs/dbraw/zinc/37/28/61/644372861.db2.gz WQRHWOAAKREDIU-KBPBESRZSA-N 2 0 242.407 1.987 20 0 BDADRP C(C[NH2+]C1CC1)CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000923355279 644373648 /nfs/dbraw/zinc/37/36/48/644373648.db2.gz IOKHCXRXGQVSHR-AWEZNQCLSA-N 2 0 237.391 1.204 20 0 BDADRP CC(C)CC[C@H](O)C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000923368346 644382035 /nfs/dbraw/zinc/38/20/35/644382035.db2.gz AWJKUZHNOYPQIG-STQMWFEESA-N 2 0 242.407 1.761 20 0 BDADRP [NH3+]C[C@@H](NCCC[NH2+]C1CC1)C1CCCCC1 ZINC000923372916 644388952 /nfs/dbraw/zinc/38/89/52/644388952.db2.gz KJQUADCOOVHNHJ-CQSZACIVSA-N 2 0 239.407 1.626 20 0 BDADRP C[NH2+]CCC[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000923377614 644391317 /nfs/dbraw/zinc/39/13/17/644391317.db2.gz OGSDTXNUWCFQKY-AWEZNQCLSA-N 2 0 236.359 1.131 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)CC1CCCC1 ZINC000923380651 644393894 /nfs/dbraw/zinc/39/38/94/644393894.db2.gz APJHNWDQPSKKSM-MGPQQGTHSA-N 2 0 240.391 1.787 20 0 BDADRP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@H]([NH3+])C[C@@H]2O)c1C ZINC000923380399 644394185 /nfs/dbraw/zinc/39/41/85/644394185.db2.gz WLBDRECEVRPCBJ-JURCDPSOSA-N 2 0 248.370 1.805 20 0 BDADRP C[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H]([NH3+])C[C@@H]2O)[C@@H]1C ZINC000923380390 644394715 /nfs/dbraw/zinc/39/47/15/644394715.db2.gz WCQLBVUPEXOCIA-NLMKBYRWSA-N 2 0 226.364 1.251 20 0 BDADRP C[N@@H+]1CCN(CCC[NH2+]C2CC2)C(C)(C)C1 ZINC000923399979 644406726 /nfs/dbraw/zinc/40/67/26/644406726.db2.gz VLPAEIGVKPTASO-UHFFFAOYSA-N 2 0 225.380 1.155 20 0 BDADRP CCCCCC[C@H](O)C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000923409631 644410760 /nfs/dbraw/zinc/41/07/60/644410760.db2.gz CMDRKZOVJRQHRE-IHRRRGAJSA-N 2 0 242.407 1.844 20 0 BDADRP C(C[NH2+]C1CC1)C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000923412793 644415114 /nfs/dbraw/zinc/41/51/14/644415114.db2.gz BLABINRVKKVNNM-NEPJUHHUSA-N 2 0 240.416 1.813 20 0 BDADRP C/C=C/C[C@H]1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923413310 644416316 /nfs/dbraw/zinc/41/63/16/644416316.db2.gz WGRMDSWATWPQKN-KYAPEHDSSA-N 2 0 238.375 1.515 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@@H](O)CC1CCCC1 ZINC000923422884 644418525 /nfs/dbraw/zinc/41/85/25/644418525.db2.gz URXRBSIDSBZJCY-XQQFMLRXSA-N 2 0 240.391 1.643 20 0 BDADRP C[C@@H]1CCC(C)(C)[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923423212 644420375 /nfs/dbraw/zinc/42/03/75/644420375.db2.gz WBHRPDSBGLVKRQ-VXGBXAGGSA-N 2 0 238.375 1.628 20 0 BDADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CCCF)CC2 ZINC000923452259 644442080 /nfs/dbraw/zinc/44/20/80/644442080.db2.gz SNIBPNFEDGQWNU-NSHDSACASA-N 2 0 230.327 1.176 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923480513 644460306 /nfs/dbraw/zinc/46/03/06/644460306.db2.gz IHRDCZSZQSWVLT-LBPRGKRZSA-N 3 0 213.369 1.176 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](Cc2noc3c2CCCC3)C1 ZINC000923481201 644460320 /nfs/dbraw/zinc/46/03/20/644460320.db2.gz GWGINHIBTTZABI-NSHDSACASA-N 2 0 249.358 1.724 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923495768 644462663 /nfs/dbraw/zinc/46/26/63/644462663.db2.gz XQCAEYHWVOUPAA-ZIAGYGMSSA-N 2 0 241.423 1.635 20 0 BDADRP CCCCOC(=O)[C@@H](C)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923484814 644463040 /nfs/dbraw/zinc/46/30/40/644463040.db2.gz NRASMPWUICGSJV-NEPJUHHUSA-N 2 0 242.363 1.389 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923490966 644464368 /nfs/dbraw/zinc/46/43/68/644464368.db2.gz PJTLIJUBLWJQHB-VOAKCMCISA-N 2 0 226.364 1.328 20 0 BDADRP C[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@@H]1C[NH3+] ZINC000923491870 644467007 /nfs/dbraw/zinc/46/70/07/644467007.db2.gz KBVFYUQEKFPXMP-LOWDOPEQSA-N 3 0 225.380 1.031 20 0 BDADRP CC(C)CC[C@H](O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923491475 644467353 /nfs/dbraw/zinc/46/73/53/644467353.db2.gz IDGVBIWFGGRMNQ-IHRRRGAJSA-N 2 0 242.407 1.700 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)C1 ZINC000923491947 644468656 /nfs/dbraw/zinc/46/86/56/644468656.db2.gz VIAKSFPDYTWUKP-ZDEQEGDKSA-N 2 0 226.364 1.328 20 0 BDADRP CCc1ncc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)o1 ZINC000923493775 644469916 /nfs/dbraw/zinc/46/99/16/644469916.db2.gz VEKRNWSREHVWKS-WDEREUQCSA-N 2 0 237.347 1.654 20 0 BDADRP C[C@@H]1C[N@H+](CCc2ccns2)CC[C@@H]1C[NH3+] ZINC000923494064 644469995 /nfs/dbraw/zinc/46/99/95/644469995.db2.gz VNXDWOFOAZOSRN-GHMZBOCLSA-N 2 0 239.388 1.602 20 0 BDADRP Cc1nnc([C@H](C)[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)[nH]1 ZINC000923493486 644470209 /nfs/dbraw/zinc/47/02/09/644470209.db2.gz HEXPXLGRNDXCPR-WCABBAIRSA-N 2 0 237.351 1.091 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cscn2)CC[C@H]1C[NH3+] ZINC000923496929 644470869 /nfs/dbraw/zinc/47/08/69/644470869.db2.gz CRCDCKUOODEQQP-ZJUUUORDSA-N 2 0 225.361 1.560 20 0 BDADRP C[C@H]1C[N@H+](CCCCCCC[NH3+])CC[C@H]1C[NH3+] ZINC000923497411 644473410 /nfs/dbraw/zinc/47/34/10/644473410.db2.gz DYXPKGODUVSPJD-KBPBESRZSA-N 3 0 241.423 1.812 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccon2)CC[C@@H]1C[NH3+] ZINC000923500775 644474192 /nfs/dbraw/zinc/47/41/92/644474192.db2.gz PBPZDPRCDLLGEX-NXEZZACHSA-N 2 0 209.293 1.091 20 0 BDADRP Cc1cnc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cn1 ZINC000923500859 644476429 /nfs/dbraw/zinc/47/64/29/644476429.db2.gz PPXJUXGMZIOESH-ZYHUDNBSSA-N 2 0 234.347 1.202 20 0 BDADRP [NH3+]CCN1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923508992 644478067 /nfs/dbraw/zinc/47/80/67/644478067.db2.gz YCFHYZGLHJGKFQ-LBPRGKRZSA-N 3 0 225.380 1.047 20 0 BDADRP CC(C)=CCC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515975 644481279 /nfs/dbraw/zinc/48/12/79/644481279.db2.gz PIDUNGAKCNSSOV-QWHCGFSZSA-N 2 0 208.349 1.884 20 0 BDADRP [NH3+]CCC[N@@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000923550479 644497823 /nfs/dbraw/zinc/49/78/23/644497823.db2.gz YCVGOXWEWWWFMA-ZDUSSCGKSA-N 2 0 226.364 1.474 20 0 BDADRP C[NH+](C)[C@@H]1CCCN(C(=O)CCCCC[NH3+])C1 ZINC000091392343 644624158 /nfs/dbraw/zinc/62/41/58/644624158.db2.gz STWQESLLRLWECC-GFCCVEGCSA-N 2 0 241.379 1.058 20 0 BDADRP COCCC[N@H+](CCOC)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000091545246 644630260 /nfs/dbraw/zinc/63/02/60/644630260.db2.gz RDFCGLVGFXWLQK-OLZOCXBDSA-N 2 0 244.379 1.099 20 0 BDADRP CO[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250457341 644760104 /nfs/dbraw/zinc/76/01/04/644760104.db2.gz IZLQCRPEUYXUOL-XDQVBPFNSA-N 2 0 238.375 1.770 20 0 BDADRP CO[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000250457338 644760355 /nfs/dbraw/zinc/76/03/55/644760355.db2.gz IZLQCRPEUYXUOL-RFQIPJPRSA-N 2 0 238.375 1.770 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](C[C@H]2COc3ccccc3O2)C1 ZINC000250534718 644760949 /nfs/dbraw/zinc/76/09/49/644760949.db2.gz OMQCBWFGSZSZIK-RYUDHWBXSA-N 2 0 248.326 1.107 20 0 BDADRP C[C@H]1C[N@H+](CCOc2ccccc2)CC[C@H]1C[NH3+] ZINC000251553404 644809257 /nfs/dbraw/zinc/80/92/57/644809257.db2.gz BIPSYPDTMOIWKU-KBPBESRZSA-N 2 0 248.370 1.982 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CC1CCOCC1 ZINC000415047690 644880085 /nfs/dbraw/zinc/88/00/85/644880085.db2.gz WDCNUIYZFIPRDL-NSHDSACASA-N 2 0 212.337 1.143 20 0 BDADRP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000253112773 644936721 /nfs/dbraw/zinc/93/67/21/644936721.db2.gz YLOIYLKVEODUIB-NOOOWODRSA-N 2 0 226.364 1.253 20 0 BDADRP C[C@H](O)C[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000819137842 645006729 /nfs/dbraw/zinc/00/67/29/645006729.db2.gz IRJDWAAXWKKTEE-HSBZDZAISA-N 2 0 240.391 1.754 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)CCCCCC[NH3+] ZINC000834362087 645138999 /nfs/dbraw/zinc/13/89/99/645138999.db2.gz ZXDMPAKQOQZDNS-VXGBXAGGSA-N 2 0 241.379 1.091 20 0 BDADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)CCCCCC[NH3+] ZINC000841856475 645230838 /nfs/dbraw/zinc/23/08/38/645230838.db2.gz OCUULJWRIDEPLP-LLVKDONJSA-N 2 0 243.395 1.385 20 0 BDADRP [NH3+]CCCCCC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000841856260 645231091 /nfs/dbraw/zinc/23/10/91/645231091.db2.gz MEHNJSHEZOQDMU-GFCCVEGCSA-N 2 0 241.379 1.139 20 0 BDADRP CC[N@H+](CCc1ccccn1)C[C@@]1(C)CC[NH2+]C1 ZINC000843060109 645256688 /nfs/dbraw/zinc/25/66/88/645256688.db2.gz DBTIJXGJIKBMCU-HNNXBMFYSA-N 2 0 247.386 1.946 20 0 BDADRP FCC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843388569 645289503 /nfs/dbraw/zinc/28/95/03/645289503.db2.gz RZJYODKVCHNQSH-GHMZBOCLSA-N 2 0 200.301 1.277 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccnnc1 ZINC000926574069 645291278 /nfs/dbraw/zinc/29/12/78/645291278.db2.gz UHIQSABBAHNSPA-QWHCGFSZSA-N 2 0 248.374 1.859 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)NCCCCCC[NH3+] ZINC000843506352 645292860 /nfs/dbraw/zinc/29/28/60/645292860.db2.gz SWRCUMQWBCLFTM-GFCCVEGCSA-N 2 0 229.368 1.139 20 0 BDADRP [NH3+]Cc1cccc(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000843507037 645294168 /nfs/dbraw/zinc/29/41/68/645294168.db2.gz OQZMDVFJVJGLHW-CHWSQXEVSA-N 2 0 247.342 1.145 20 0 BDADRP CC[C@@H]1COC[C@H]1[NH2+]CCC[N@H+](C)CC(C)C ZINC000926645772 645331370 /nfs/dbraw/zinc/33/13/70/645331370.db2.gz RMZRVSMNGYIGKT-ZIAGYGMSSA-N 2 0 242.407 1.979 20 0 BDADRP CSC1CC([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000926665554 645345609 /nfs/dbraw/zinc/34/56/09/645345609.db2.gz HAPMUTVJMFZTAC-CIWCUSHGSA-N 2 0 228.405 1.810 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1C=CCC1 ZINC000926690151 645360302 /nfs/dbraw/zinc/36/03/02/645360302.db2.gz NDFDFMFDYIDFAT-FXJUQPSGSA-N 2 0 206.333 1.635 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc[nH]c1=O ZINC000926773214 645420555 /nfs/dbraw/zinc/42/05/55/645420555.db2.gz VDVGEGAXDKRIEV-FUNVUKJBSA-N 2 0 247.342 1.217 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CCOc2cccnc2)C12CCC2 ZINC000925487880 645496313 /nfs/dbraw/zinc/49/63/13/645496313.db2.gz HAUXGWRAOVIOAP-OLZOCXBDSA-N 2 0 247.342 1.320 20 0 BDADRP COC[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925492228 645668533 /nfs/dbraw/zinc/66/85/33/645668533.db2.gz XHAJYCUTWYLVBS-DCAQKATOSA-N 2 0 214.353 1.517 20 0 BDADRP C[NH+](C)CC1CC[NH+](CCOC2CC2)CC1 ZINC000929283393 646059305 /nfs/dbraw/zinc/05/93/05/646059305.db2.gz RGCNXGGMSAOBJW-UHFFFAOYSA-N 2 0 226.364 1.439 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+]C1[C@@H](C)COC[C@@H]1C ZINC000924616682 646079898 /nfs/dbraw/zinc/07/98/98/646079898.db2.gz FMJDBTJEFXCBFB-STQMWFEESA-N 2 0 242.407 1.977 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(C)(C)CO ZINC000924697322 646091019 /nfs/dbraw/zinc/09/10/19/646091019.db2.gz KTERKOAZRBAXJX-YNEHKIRRSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(C)(C)CO ZINC000924697320 646091145 /nfs/dbraw/zinc/09/11/45/646091145.db2.gz KTERKOAZRBAXJX-RWMBFGLXSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000924852728 646116964 /nfs/dbraw/zinc/11/69/64/646116964.db2.gz KTBASHSJUOKYIB-MRFVTOPCSA-N 2 0 240.391 1.874 20 0 BDADRP CC(C)[C@H]1COCC[C@H]1[NH2+]CCCC[NH+](C)C ZINC000924854933 646118910 /nfs/dbraw/zinc/11/89/10/646118910.db2.gz OGICFSRLOXHNFT-ZIAGYGMSSA-N 2 0 242.407 1.979 20 0 BDADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H]2COC[C@H]2C)C1 ZINC000924959679 646144691 /nfs/dbraw/zinc/14/46/91/646144691.db2.gz LEFPRQIJNGFDGM-RDBSUJKOSA-N 2 0 240.391 1.731 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCCOC1 ZINC000924990077 646151875 /nfs/dbraw/zinc/15/18/75/646151875.db2.gz VXYZACKYDIBEQH-DAAZQVBGSA-N 2 0 224.348 1.095 20 0 BDADRP C[C@@H]1COC[C@@H]1[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000925085181 646179791 /nfs/dbraw/zinc/17/97/91/646179791.db2.gz FRVIMDIDKSUBTF-FRRDWIJNSA-N 2 0 242.407 1.977 20 0 BDADRP C[C@H]1CC[C@H](C)C1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000925110736 646187016 /nfs/dbraw/zinc/18/70/16/646187016.db2.gz AHFAOYXOMUCFAE-RYUDHWBXSA-N 2 0 240.391 1.467 20 0 BDADRP C1CC1[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925492831 646292576 /nfs/dbraw/zinc/29/25/76/646292576.db2.gz IIYQQHLOCHWNMW-STQMWFEESA-N 2 0 208.349 1.907 20 0 BDADRP CN1CC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925486250 646297036 /nfs/dbraw/zinc/29/70/36/646297036.db2.gz GKSBYOUORKPXKW-GRYCIOLGSA-N 2 0 225.380 1.186 20 0 BDADRP C[C@H](CN[C@H]1CC[NH2+]C1(C)C)[N@H+](C)C1CC1 ZINC000925496301 646302119 /nfs/dbraw/zinc/30/21/19/646302119.db2.gz PZSQRZBCHMYRDY-PWSUYJOCSA-N 2 0 225.380 1.199 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCCCn1ccnc1 ZINC000925496972 646302285 /nfs/dbraw/zinc/30/22/85/646302285.db2.gz YOQQOUZASIDXEX-LBPRGKRZSA-N 2 0 236.363 1.393 20 0 BDADRP C[C@H](O)CC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925499031 646304505 /nfs/dbraw/zinc/30/45/05/646304505.db2.gz LRSMJBRUWMAUNR-USZNOCQGSA-N 2 0 226.364 1.124 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccccc2CO)C12CCC2 ZINC000925507831 646307276 /nfs/dbraw/zinc/30/72/76/646307276.db2.gz NPFVQPPRXVGZAG-ZIAGYGMSSA-N 2 0 246.354 1.538 20 0 BDADRP C[C@H]([NH3+])[C@@H](NCC[NH+]1CCCC1)c1ccccc1 ZINC000925509861 646307798 /nfs/dbraw/zinc/30/77/98/646307798.db2.gz RJELIEFRWMHDAZ-DZGCQCFKSA-N 2 0 247.386 1.760 20 0 BDADRP C[C@@H]1C[C@@H](N[C@H]2CC[NH2+]C2(C)C)CC[N@@H+]1C ZINC000925519599 646309890 /nfs/dbraw/zinc/30/98/90/646309890.db2.gz UVGZGFQSKJZRTO-WOPDTQHZSA-N 2 0 225.380 1.199 20 0 BDADRP CC(=O)NCCC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925521723 646314720 /nfs/dbraw/zinc/31/47/20/646314720.db2.gz ZXXOWAKIZPISMF-RYUDHWBXSA-N 2 0 241.379 1.008 20 0 BDADRP CCC[N@H+](CC)CCN[C@H]1CC[NH2+]C12CCC2 ZINC000925528991 646314724 /nfs/dbraw/zinc/31/47/24/646314724.db2.gz HUDLLXKQNBEFMC-ZDUSSCGKSA-N 2 0 239.407 1.593 20 0 BDADRP CC(=O)NCCC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925521721 646315378 /nfs/dbraw/zinc/31/53/78/646315378.db2.gz ZXXOWAKIZPISMF-NWDGAFQWSA-N 2 0 241.379 1.008 20 0 BDADRP Cn1nccc1C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925538921 646321873 /nfs/dbraw/zinc/32/18/73/646321873.db2.gz WRSZOTSXKDUNLX-GHMZBOCLSA-N 2 0 236.363 1.416 20 0 BDADRP Cn1nccc1C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925538924 646322266 /nfs/dbraw/zinc/32/22/66/646322266.db2.gz WRSZOTSXKDUNLX-QWRGUYRKSA-N 2 0 236.363 1.416 20 0 BDADRP C[C@@H]1C[C@@H](N[C@H]2CC[NH2+]C2(C)C)C[N@@H+]1C1CC1 ZINC000925542194 646323436 /nfs/dbraw/zinc/32/34/36/646323436.db2.gz NZMZVCXGVNYZIW-WZRBSPASSA-N 2 0 237.391 1.342 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CC2CCOCC2)C1 ZINC000925546620 646327306 /nfs/dbraw/zinc/32/73/06/646327306.db2.gz LNZPWYUZAXMHJM-STQMWFEESA-N 2 0 240.391 1.909 20 0 BDADRP C(C1CC1)[N@@H+]1CC[C@@H](N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925557814 646333181 /nfs/dbraw/zinc/33/31/81/646333181.db2.gz QPUDUVZXPWFQTE-ZIAGYGMSSA-N 2 0 249.402 1.345 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCF ZINC000925557916 646333846 /nfs/dbraw/zinc/33/38/46/646333846.db2.gz RLJJLXWRRXWERC-ZACCUICWSA-N 2 0 200.301 1.276 20 0 BDADRP CC[C@H](O)CC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925560883 646335171 /nfs/dbraw/zinc/33/51/71/646335171.db2.gz OJUBEGGZPOCAND-UTUOFQBUSA-N 2 0 228.380 1.643 20 0 BDADRP Cc1ccc(CC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)cn1 ZINC000925573240 646342532 /nfs/dbraw/zinc/34/25/32/646342532.db2.gz NIWJXHUTAHPWLL-KBPBESRZSA-N 2 0 245.370 1.792 20 0 BDADRP CC1(C)C[C@H]1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925597676 646350455 /nfs/dbraw/zinc/35/04/55/646350455.db2.gz RAUOFEMLOFRTDX-WDEREUQCSA-N 2 0 208.349 1.907 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925618706 646350740 /nfs/dbraw/zinc/35/07/40/646350740.db2.gz JJSQHEHZEZCRHH-SDDRHHMPSA-N 2 0 228.380 1.499 20 0 BDADRP CC[C@H](CO)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000929847191 646357690 /nfs/dbraw/zinc/35/76/90/646357690.db2.gz LUYRGRCWVXRWIU-XQQFMLRXSA-N 2 0 226.364 1.173 20 0 BDADRP CC[C@H](CN[C@H]1CCC[NH2+][C@@H]1C)[NH+]1CCCC1 ZINC000925606333 646358282 /nfs/dbraw/zinc/35/82/82/646358282.db2.gz NHHPYKTYOHSYFR-MCIONIFRSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925631082 646376295 /nfs/dbraw/zinc/37/62/95/646376295.db2.gz UMGMKVDLHOUBJD-YNEHKIRRSA-N 2 0 242.407 1.891 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925630314 646377109 /nfs/dbraw/zinc/37/71/09/646377109.db2.gz QZFDMJKINSDADZ-QWRGUYRKSA-N 2 0 214.353 1.125 20 0 BDADRP COC[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)OC ZINC000925631539 646377155 /nfs/dbraw/zinc/37/71/55/646377155.db2.gz HYYOWOBVTBCHIT-TUAOUCFPSA-N 2 0 244.379 1.143 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925633694 646378510 /nfs/dbraw/zinc/37/85/10/646378510.db2.gz GKFGSSHJHRXNMT-FIQHERPVSA-N 2 0 228.380 1.641 20 0 BDADRP C[C@@H]1C[C@H](CC[NH2+][C@H]2CC[NH2+]C2(C)C)CCO1 ZINC000925638278 646381486 /nfs/dbraw/zinc/38/14/86/646381486.db2.gz ZNNXYKSKXISDPI-UPJWGTAASA-N 2 0 240.391 1.922 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925646967 646386772 /nfs/dbraw/zinc/38/67/72/646386772.db2.gz YNMACCAQSUVXRF-VLEAKVRGSA-N 2 0 212.337 1.269 20 0 BDADRP C[C@@H]1CC(C[NH2+][C@@H]2CC[NH2+]C2(C)C)C[C@@H](C)O1 ZINC000925654439 646394579 /nfs/dbraw/zinc/39/45/79/646394579.db2.gz MLQKMMLZZVZWNN-NQBHXWOUSA-N 2 0 240.391 1.920 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CCCOC(F)F ZINC000925665874 646397972 /nfs/dbraw/zinc/39/79/72/646397972.db2.gz NBOPOPBMMNYQPO-MRVPVSSYSA-N 2 0 222.279 1.346 20 0 BDADRP FC(F)OCCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925664854 646398473 /nfs/dbraw/zinc/39/84/73/646398473.db2.gz HKYLACJZSIPWJU-SECBINFHSA-N 2 0 234.290 1.490 20 0 BDADRP Cn1cncc1C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925668942 646400711 /nfs/dbraw/zinc/40/07/11/646400711.db2.gz MJUIPXPAHKDEJT-MNOVXSKESA-N 2 0 236.363 1.416 20 0 BDADRP CC(C)[N@@H+](C)C[C@H](C)N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925669109 646400758 /nfs/dbraw/zinc/40/07/58/646400758.db2.gz OZRSJGHLGWTCGT-RWMBFGLXSA-N 2 0 239.407 1.575 20 0 BDADRP Cn1cncc1C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925668941 646401165 /nfs/dbraw/zinc/40/11/65/646401165.db2.gz MJUIPXPAHKDEJT-GHMZBOCLSA-N 2 0 236.363 1.416 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H](CO)CC2CCC2)C12CCC2 ZINC000925675309 646404824 /nfs/dbraw/zinc/40/48/24/646404824.db2.gz VJXAOQVEBQFMRK-XQQFMLRXSA-N 2 0 238.375 1.397 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H](CO)CC2CCC2)C12CCC2 ZINC000925675308 646405749 /nfs/dbraw/zinc/40/57/49/646405749.db2.gz VJXAOQVEBQFMRK-UPJWGTAASA-N 2 0 238.375 1.397 20 0 BDADRP C1[C@@H]2[C@H]1CCC[C@@H]2[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925686999 646413214 /nfs/dbraw/zinc/41/32/14/646413214.db2.gz YJPYBZRQASGGJS-DYSYMWPPSA-N 2 0 232.371 1.761 20 0 BDADRP COCC[C@H](C)C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925686931 646413644 /nfs/dbraw/zinc/41/36/44/646413644.db2.gz XQEAVQGJTCPWBC-QJPTWQEYSA-N 2 0 226.364 1.519 20 0 BDADRP C[NH2+]CCCN[C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925689211 646415034 /nfs/dbraw/zinc/41/50/34/646415034.db2.gz HLBYFIXGMJZPCV-YPMHNXCESA-N 2 0 221.348 1.274 20 0 BDADRP CNC(=O)C[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925690409 646415821 /nfs/dbraw/zinc/41/58/21/646415821.db2.gz VEQIMPZIWSHKGB-DCAQKATOSA-N 2 0 241.379 1.007 20 0 BDADRP CC1(C)[C@H](NC[C@H]2CCC[NH2+]2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925689482 646415968 /nfs/dbraw/zinc/41/59/68/646415968.db2.gz AMWHSKUYRQZVTO-FVCCEPFGSA-N 2 0 237.391 1.105 20 0 BDADRP CC(C)[NH2+]CCCN[C@@H]1CC[NH2+]C12CCC2 ZINC000925689999 646416423 /nfs/dbraw/zinc/41/64/23/646416423.db2.gz CPCWPJIALKFFBM-GFCCVEGCSA-N 2 0 225.380 1.249 20 0 BDADRP CC[NH2+]CCN[C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925689489 646416922 /nfs/dbraw/zinc/41/69/22/646416922.db2.gz ANJREJPSXROJNT-YPMHNXCESA-N 2 0 221.348 1.274 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1CCC[C@H]([NH3+])C1)[NH2+]2 ZINC000925699937 646423449 /nfs/dbraw/zinc/42/34/49/646423449.db2.gz MFYJUDCLQNKWHL-WFQJECDVSA-N 2 0 237.391 1.375 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925697883 646423562 /nfs/dbraw/zinc/42/35/62/646423562.db2.gz BGNFAKGVNMIDSZ-JHJVBQTASA-N 3 0 241.423 2.000 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925699451 646423844 /nfs/dbraw/zinc/42/38/44/646423844.db2.gz OWKUWBOUSHGKFU-BSCCGWMCSA-N 2 0 237.391 1.090 20 0 BDADRP C[C@H]1NCCC[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000925701756 646425778 /nfs/dbraw/zinc/42/57/78/646425778.db2.gz DXPXAYJBEKVMKQ-DGCLKSJQSA-N 2 0 225.380 1.106 20 0 BDADRP COCC1(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925704701 646429281 /nfs/dbraw/zinc/42/92/81/646429281.db2.gz JHSGHXRUDBRINS-GFCCVEGCSA-N 2 0 238.375 1.677 20 0 BDADRP Cc1cncc(CC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)n1 ZINC000925705937 646430331 /nfs/dbraw/zinc/43/03/31/646430331.db2.gz JCELPVSRLWFSRU-OLZOCXBDSA-N 2 0 246.358 1.187 20 0 BDADRP Cc1cncc(CC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)n1 ZINC000925705934 646430629 /nfs/dbraw/zinc/43/06/29/646430629.db2.gz JCELPVSRLWFSRU-CHWSQXEVSA-N 2 0 246.358 1.187 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H](N[C@@H]2CCCC[NH2+]C2)C1 ZINC000925710095 646434672 /nfs/dbraw/zinc/43/46/72/646434672.db2.gz WEUDWODCWABLBN-JHJVBQTASA-N 2 0 239.407 1.624 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925712922 646438280 /nfs/dbraw/zinc/43/82/80/646438280.db2.gz VZZNEVGAUXXHEK-NWDGAFQWSA-N 3 0 225.380 1.378 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925717658 646442717 /nfs/dbraw/zinc/44/27/17/646442717.db2.gz VSPDPDSQUAPISA-CHWSQXEVSA-N 2 0 239.407 1.624 20 0 BDADRP C[C@H]([NH3+])[C@@H](N[C@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1 ZINC000925720095 646443656 /nfs/dbraw/zinc/44/36/56/646443656.db2.gz WFHPNSQIDYVLRB-PAPYEOQZSA-N 2 0 247.386 1.805 20 0 BDADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925724934 646449935 /nfs/dbraw/zinc/44/99/35/646449935.db2.gz FUVCYXKFYAEVIC-ZDEQEGDKSA-N 3 0 237.391 1.363 20 0 BDADRP COCC(C)(C)CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925728167 646451065 /nfs/dbraw/zinc/45/10/65/646451065.db2.gz BLYVCSOUDMEAGX-LBPRGKRZSA-N 2 0 240.391 1.923 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C1 ZINC000925727443 646452294 /nfs/dbraw/zinc/45/22/94/646452294.db2.gz PSXAHKMXWLBDQJ-BJDJZHNGSA-N 3 0 225.380 1.219 20 0 BDADRP CCC[C@@H](CCO)[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925725734 646452526 /nfs/dbraw/zinc/45/25/26/646452526.db2.gz VNDAVGZNNMXCJO-QWHCGFSZSA-N 2 0 240.391 1.802 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1C=CCC1 ZINC000925729887 646453126 /nfs/dbraw/zinc/45/31/26/646453126.db2.gz AFNPWFAVROFPTD-RNJOBUHISA-N 2 0 224.348 1.295 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1ccns1 ZINC000925731425 646453896 /nfs/dbraw/zinc/45/38/96/646453896.db2.gz KKTMGNNETYFEEM-CMPLNLGQSA-N 2 0 239.388 1.663 20 0 BDADRP [NH3+]CCC[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccccc1 ZINC000925728448 646454135 /nfs/dbraw/zinc/45/41/35/646454135.db2.gz VGSNLNUEOHAWSE-QEJZJMRPSA-N 3 0 247.386 1.794 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000925735625 646459158 /nfs/dbraw/zinc/45/91/58/646459158.db2.gz HPQQLFVLCBYWTC-LPWJVIDDSA-N 2 0 226.364 1.661 20 0 BDADRP Cc1ncc([C@@H](C)[NH2+]CCC(C)(C)[NH3+])c(C)n1 ZINC000925743046 646465313 /nfs/dbraw/zinc/46/53/13/646465313.db2.gz ZLYIVOJTHLXLOV-SECBINFHSA-N 2 0 236.363 1.871 20 0 BDADRP C[C@H]([NH2+]CCC(C)(C)[NH3+])c1cncs1 ZINC000925742672 646465394 /nfs/dbraw/zinc/46/53/94/646465394.db2.gz WOFLJMOPIBWXHN-QMMMGPOBSA-N 2 0 213.350 1.921 20 0 BDADRP CCC1([NH3+])CC[NH+]([C@@H](C)CCCC[NH3+])CC1 ZINC000925761495 646466004 /nfs/dbraw/zinc/46/60/04/646466004.db2.gz WASQZKHMTFETEG-LBPRGKRZSA-N 3 0 227.396 1.707 20 0 BDADRP CCC1([NH3+])CCN([C@@H](C)c2c[nH+]ccc2N)CC1 ZINC000925761813 646466040 /nfs/dbraw/zinc/46/60/40/646466040.db2.gz ZMMBZANPQKHLJQ-NSHDSACASA-N 2 0 248.374 1.758 20 0 BDADRP CCC1([NH3+])CC[NH+]([C@H](C)CCCC[NH3+])CC1 ZINC000925761493 646466697 /nfs/dbraw/zinc/46/66/97/646466697.db2.gz WASQZKHMTFETEG-GFCCVEGCSA-N 3 0 227.396 1.707 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H](CO)C[C@H]1CCCO1 ZINC000925768785 646470237 /nfs/dbraw/zinc/47/02/37/646470237.db2.gz XDZWSNFNQWFJSD-FRRDWIJNSA-N 2 0 244.379 1.024 20 0 BDADRP CC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])[C@@H]1CCCOC1 ZINC000925770503 646470571 /nfs/dbraw/zinc/47/05/71/646470571.db2.gz VELGXGJWEXPZIG-LOWDOPEQSA-N 2 0 228.380 1.907 20 0 BDADRP Nc1cc[nH+]c(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000925769929 646471542 /nfs/dbraw/zinc/47/15/42/646471542.db2.gz CYNCBHULOLCHAV-JSGCOSHPSA-N 2 0 246.358 1.380 20 0 BDADRP COC[C@@H]([NH2+]Cc1cc(N)ccn1)C(C)C ZINC000925772482 646473729 /nfs/dbraw/zinc/47/37/29/646473729.db2.gz SIDNGCVEYWDBFS-GFCCVEGCSA-N 2 0 223.320 1.424 20 0 BDADRP C[C@H]([NH3+])[C@@H](N[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1 ZINC000925781243 646477430 /nfs/dbraw/zinc/47/74/30/646477430.db2.gz WBDVGLGPQSZRNC-ZMJPVWNMSA-N 2 0 233.359 1.272 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)[C@H]1CCCO1 ZINC000925781588 646477607 /nfs/dbraw/zinc/47/76/07/646477607.db2.gz IPJUMMLGFYJGSW-HBNTYKKESA-N 2 0 248.317 1.388 20 0 BDADRP CC[C@@H](N[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000925786725 646482497 /nfs/dbraw/zinc/48/24/97/646482497.db2.gz VLYIECLOUURAAX-FDYHWXHSSA-N 2 0 225.380 1.105 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000925786202 646482740 /nfs/dbraw/zinc/48/27/40/646482740.db2.gz RUCBAVHXTUNRLD-WISYIIOYSA-N 2 0 212.337 1.142 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)C1CC[NH+](C)CC1 ZINC000925790356 646484619 /nfs/dbraw/zinc/48/46/19/646484619.db2.gz HLGLXZKXHDPWTL-DYEKYZERSA-N 3 0 239.407 1.162 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cccnc1 ZINC000925791708 646484627 /nfs/dbraw/zinc/48/46/27/646484627.db2.gz RGQGPHUSDLQSDY-WZRBSPASSA-N 2 0 219.332 1.588 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1NCc1cc(N(C)C)cc[nH+]1 ZINC000925814204 646491788 /nfs/dbraw/zinc/49/17/88/646491788.db2.gz YMVGACJSMWNEEN-RISCZKNCSA-N 2 0 248.374 1.235 20 0 BDADRP C[NH+](C)CC[C@H](N[C@@H]1CC[NH2+]C1)c1cccnc1 ZINC000925826544 646498497 /nfs/dbraw/zinc/49/84/97/646498497.db2.gz HRRUGTMATWNWTG-KGLIPLIRSA-N 2 0 248.374 1.026 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000925829072 646499751 /nfs/dbraw/zinc/49/97/51/646499751.db2.gz AUOCEYZAJOOUKP-XHJNMGKDSA-N 2 0 236.359 1.295 20 0 BDADRP Cc1cc(CC[NH2+][C@@H]2CCC[NH2+]CC2)nn1C ZINC000925831202 646501706 /nfs/dbraw/zinc/50/17/06/646501706.db2.gz CVRJVBFILFRISM-GFCCVEGCSA-N 2 0 236.363 1.003 20 0 BDADRP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)C1CC1 ZINC000925840545 646506557 /nfs/dbraw/zinc/50/65/57/646506557.db2.gz IPBLYSWZQVPEKS-RAIGVLPGSA-N 2 0 208.349 1.907 20 0 BDADRP CO[C@@H](C)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925840519 646506600 /nfs/dbraw/zinc/50/66/00/646506600.db2.gz AZAQKGVWKFSTMO-YVECIDJPSA-N 2 0 226.364 1.532 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000925859788 646512434 /nfs/dbraw/zinc/51/24/34/646512434.db2.gz SBUXKTXAFIJBND-RWMBFGLXSA-N 2 0 228.380 1.645 20 0 BDADRP Cn1nc(C2CC2)cc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000925873619 646523733 /nfs/dbraw/zinc/52/37/33/646523733.db2.gz KKRALQMEBASLAY-YPMHNXCESA-N 2 0 248.374 1.515 20 0 BDADRP Cc1ccc(NCC[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)nc1 ZINC000925878004 646527208 /nfs/dbraw/zinc/52/72/08/646527208.db2.gz OQIILEGTYDBHQX-CHWSQXEVSA-N 2 0 248.374 1.390 20 0 BDADRP CO[C@@H](C)[C@@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925876484 646527456 /nfs/dbraw/zinc/52/74/56/646527456.db2.gz ZJGGLTHFISDTGE-YTWAJWBKSA-N 2 0 200.326 1.127 20 0 BDADRP COCC[C@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925880419 646528770 /nfs/dbraw/zinc/52/87/70/646528770.db2.gz RFANBEQBXARBQU-YIYPIFLZSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000925883920 646532483 /nfs/dbraw/zinc/53/24/83/646532483.db2.gz YXSOQYNTUHPGEQ-WISYIIOYSA-N 2 0 212.337 1.271 20 0 BDADRP CCN1C[C@@H](C)[C@H]([NH2+]C2CC(SC)C2)C1 ZINC000925929690 646543430 /nfs/dbraw/zinc/54/34/30/646543430.db2.gz PJFKDCKJYSPYLM-HBIQZDMRSA-N 2 0 228.405 1.810 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)C(C)(C)CO ZINC000926450544 646642532 /nfs/dbraw/zinc/64/25/32/646642532.db2.gz OHUBIESOULAAFN-NXEZZACHSA-N 2 0 237.347 1.264 20 0 BDADRP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](C)C[NH+](C)C ZINC000926469215 646652626 /nfs/dbraw/zinc/65/26/26/646652626.db2.gz GODNUZQXVXDHJR-RDBSUJKOSA-N 2 0 242.407 1.835 20 0 BDADRP CO[C@H]1CC[C@H]1[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000724155053 711565264 /nfs/dbraw/zinc/56/52/64/711565264.db2.gz JXISMOGLYNRYKA-KXNHARMFSA-N 2 0 212.337 1.223 20 0 BDADRP C[C@@H](CNC1=[NH+]CCCN1C)[NH+]1CCCCC1 ZINC000386571042 711586095 /nfs/dbraw/zinc/58/60/95/711586095.db2.gz LQDLGIOVESJSLL-LBPRGKRZSA-N 2 0 238.379 1.142 20 0 BDADRP C([NH2+][C@@H]1CCO[C@H]1C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000232459139 711760487 /nfs/dbraw/zinc/76/04/87/711760487.db2.gz KMDSGCAGALXXPS-RTXFEEFZSA-N 2 0 224.348 1.143 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCO[C@H]1CCOC1 ZINC000925875391 711761577 /nfs/dbraw/zinc/76/15/77/711761577.db2.gz SKFRBPRZLZLKJS-XQQFMLRXSA-N 2 0 242.363 1.042 20 0 BDADRP Cc1cc(F)ccc1CN(C)C[C@@H](C)[NH3+] ZINC000389567582 711765817 /nfs/dbraw/zinc/76/58/17/711765817.db2.gz APLLRUCIVCXSLG-SNVBAGLBSA-N 2 0 210.296 1.913 20 0 BDADRP COC[C@H](C[N@@H+]1CCC[C@@H](CC[NH3+])C1)C(C)C ZINC000721965235 711845240 /nfs/dbraw/zinc/84/52/40/711845240.db2.gz YSLBHDNDSHAISQ-KBPBESRZSA-N 2 0 242.407 1.966 20 0 BDADRP C[C@H]1SCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H]1C ZINC000132493327 711960050 /nfs/dbraw/zinc/96/00/50/711960050.db2.gz VDWSSWFMUQSKJH-KKOKHZNYSA-N 2 0 228.405 1.940 20 0 BDADRP COc1cncc(C[NH2+]CCCC[NH+](C)C)c1 ZINC000700013706 711982627 /nfs/dbraw/zinc/98/26/27/711982627.db2.gz VKXYYGVHTRLXLC-UHFFFAOYSA-N 2 0 237.347 1.522 20 0 BDADRP C[C@H](CC[NH2+]C1CCC(C)(O)CC1)[NH+](C)C ZINC000703004229 712064124 /nfs/dbraw/zinc/06/41/24/712064124.db2.gz XDUHQEFWOBAKCU-PNESKVBLSA-N 2 0 228.380 1.610 20 0 BDADRP C[NH+]1CCC(C[NH2+]C2CCC(C)(O)CC2)CC1 ZINC000703010911 712064805 /nfs/dbraw/zinc/06/48/05/712064805.db2.gz STTZKIYPHLEKAV-UHFFFAOYSA-N 2 0 240.391 1.611 20 0 BDADRP COC1CC(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)C1 ZINC000703121657 712066691 /nfs/dbraw/zinc/06/66/91/712066691.db2.gz VKOIIMGBMYHJSZ-HTAVTVPLSA-N 2 0 226.364 1.389 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CCSC2)C1 ZINC000704811989 712118368 /nfs/dbraw/zinc/11/83/68/712118368.db2.gz KCYSIPQZZXJOAP-IJLUTSLNSA-N 2 0 228.405 1.989 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CCSC1 ZINC000704813539 712118541 /nfs/dbraw/zinc/11/85/41/712118541.db2.gz IIEMOSUYGYBFKN-WOPDTQHZSA-N 2 0 228.405 1.847 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000705164028 712124621 /nfs/dbraw/zinc/12/46/21/712124621.db2.gz DMGLUGNGBLJOLF-RDBSUJKOSA-N 3 0 239.407 1.116 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@]3(CCOC3)C2)C1 ZINC000707638409 712176490 /nfs/dbraw/zinc/17/64/90/712176490.db2.gz XPZZIBJJFCWVST-XQQFMLRXSA-N 2 0 224.348 1.226 20 0 BDADRP C[C@@H]1CC[C@@H](C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)O1 ZINC000708187117 712184259 /nfs/dbraw/zinc/18/42/59/712184259.db2.gz RAUAFXILIJPDJH-KKOKHZNYSA-N 2 0 212.337 1.081 20 0 BDADRP CCC[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000709073481 712207672 /nfs/dbraw/zinc/20/76/72/712207672.db2.gz MVNIEXDZEWHWSN-FRRDWIJNSA-N 2 0 226.364 1.615 20 0 BDADRP C[NH+](C)C1(C)CC[NH+](C[C@@H](O)C(C)(C)C)CC1 ZINC000709776354 712225272 /nfs/dbraw/zinc/22/52/72/712225272.db2.gz SJPRPNGWSIBXEI-GFCCVEGCSA-N 2 0 242.407 1.810 20 0 BDADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CCCC1)C2 ZINC000709821030 712228822 /nfs/dbraw/zinc/22/88/22/712228822.db2.gz DLIKXLZCTIXVJO-AVGNSLFASA-N 2 0 208.349 1.988 20 0 BDADRP C[C@@H]1C[C@H]([N@H+](C)CCCCCC[NH3+])CCN1C ZINC000710725080 712255492 /nfs/dbraw/zinc/25/54/92/712255492.db2.gz SGBRWKDEGVPIJI-ZIAGYGMSSA-N 2 0 241.423 1.920 20 0 BDADRP C[C@H]1COC[C@@H]1[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000710878215 712260743 /nfs/dbraw/zinc/26/07/43/712260743.db2.gz YZDFCQHKTVCPAE-JQWIXIFHSA-N 2 0 240.391 1.920 20 0 BDADRP FC[C@@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000711451359 712302022 /nfs/dbraw/zinc/30/20/22/712302022.db2.gz CNQGBRWEIYJIPB-WDEREUQCSA-N 2 0 200.301 1.277 20 0 BDADRP C[N@H+](CCOC1CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000711753579 712324732 /nfs/dbraw/zinc/32/47/32/712324732.db2.gz RHNPCGRYGADKRG-FOSCPWQOSA-N 2 0 224.348 1.380 20 0 BDADRP C[C@H](CCO)[NH2+]CCCCC[NH+]1CCCC1 ZINC000378864605 712364870 /nfs/dbraw/zinc/36/48/70/712364870.db2.gz XSSGWMBMKCDWBG-CYBMUJFWSA-N 2 0 228.380 1.613 20 0 BDADRP CC(C)([NH3+])CC[NH2+]C[C@H]1CCSC1 ZINC000379341928 712375258 /nfs/dbraw/zinc/37/52/58/712375258.db2.gz ASIKQQLRHFCKOL-SECBINFHSA-N 2 0 202.367 1.457 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CN1C[C@@H]1CCCC(C)(C)O1 ZINC000714330299 712482391 /nfs/dbraw/zinc/48/23/91/712482391.db2.gz MBZLYBGISDQASX-WOPDTQHZSA-N 2 0 226.364 1.756 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000714612404 712488314 /nfs/dbraw/zinc/48/83/14/712488314.db2.gz GFTYIFYIAVYXDS-FIQHERPVSA-N 2 0 212.337 1.142 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)C1CC1 ZINC000715509652 712524695 /nfs/dbraw/zinc/52/46/95/712524695.db2.gz NWCWXGUUHZIJIW-HZSPNIEDSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]1[C@H]([NH2+]C2CCC([NH+](C)C)CC2)CO[C@H]1C ZINC000715558566 712528093 /nfs/dbraw/zinc/52/80/93/712528093.db2.gz PPPCNNJLRWQTTJ-HRDMENRUSA-N 2 0 240.391 1.872 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H](CC)C[C@@H](C)O)CC1 ZINC000716855812 712578822 /nfs/dbraw/zinc/57/88/22/712578822.db2.gz XJELBXZPZULHER-CHWSQXEVSA-N 2 0 242.407 2.000 20 0 BDADRP C[C@@](C[NH3+])([NH2+]C[C@H]1CC(C)(C)CO1)C1CC1 ZINC000717650953 712663369 /nfs/dbraw/zinc/66/33/69/712663369.db2.gz MFYXHVDDVARRRN-YPMHNXCESA-N 2 0 226.364 1.519 20 0 BDADRP CC(F)(F)CCC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000718612406 712773026 /nfs/dbraw/zinc/77/30/26/712773026.db2.gz PEXDWTSSGXFKQH-WDEREUQCSA-N 2 0 232.318 1.963 20 0 BDADRP C[C@H]1[C@@H]([NH2+]CC2CC[NH+](C)CC2)CCN1C ZINC000719610326 712816692 /nfs/dbraw/zinc/81/66/92/712816692.db2.gz FYCYZOLXXIVXJH-AAEUAGOBSA-N 2 0 225.380 1.010 20 0 BDADRP C[C@@H]1CC[N@H+](CCc2ccns2)C[C@@H]1C[NH3+] ZINC000719843969 712825459 /nfs/dbraw/zinc/82/54/59/712825459.db2.gz FUPOMYLHYUEYBW-MNOVXSKESA-N 2 0 239.388 1.602 20 0 BDADRP CC[C@H](C)[N@H+](CC)C[C@H](O)CN1CCCC1 ZINC000381270072 710615146 /nfs/dbraw/zinc/61/51/46/710615146.db2.gz VGTHEOFTZROOPF-QWHCGFSZSA-N 2 0 228.380 1.564 20 0 BDADRP COC[C@@H](C[N@@H+]1CC[C@H](CC[NH3+])C1)C(C)C ZINC000721922821 710692960 /nfs/dbraw/zinc/69/29/60/710692960.db2.gz WUUJRIBXPYSOCC-QWHCGFSZSA-N 2 0 228.380 1.576 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@H+](C[C@@H](COC)C(C)C)C1 ZINC000721963004 710694733 /nfs/dbraw/zinc/69/47/33/710694733.db2.gz QROWBGUKUISCNM-KGLIPLIRSA-N 2 0 242.407 1.836 20 0 BDADRP COC[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)C1CC1 ZINC000722503918 710713753 /nfs/dbraw/zinc/71/37/53/710713753.db2.gz CYBYGURNBVUOJS-RTXFEEFZSA-N 2 0 226.364 1.247 20 0 BDADRP CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000723080919 710726937 /nfs/dbraw/zinc/72/69/37/710726937.db2.gz SGCJCITYQZJFQD-AGIUHOORSA-N 2 0 208.349 1.718 20 0 BDADRP Cc1nc(C)c(C[NH+]2CCC(C[NH3+])CC2)o1 ZINC000723623010 710729289 /nfs/dbraw/zinc/72/92/89/710729289.db2.gz XSJDFDAGTGNOLW-UHFFFAOYSA-N 2 0 223.320 1.462 20 0 BDADRP CC[C@H]1C[C@H](C)C[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000399117511 710913405 /nfs/dbraw/zinc/91/34/05/710913405.db2.gz NFMCSEHGNDHODF-RNJOBUHISA-N 2 0 210.365 1.962 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C[C@@H]1C ZINC000382945703 710975542 /nfs/dbraw/zinc/97/55/42/710975542.db2.gz SCJCZKIDQQJNFZ-HZSPNIEDSA-N 2 0 240.391 1.421 20 0 BDADRP C[C@H](CC(C)(C)O)[NH2+]CC1CC[NH+](C)CC1 ZINC000384756677 710995501 /nfs/dbraw/zinc/99/55/01/710995501.db2.gz PHWAEEMMUYMVTM-LLVKDONJSA-N 2 0 228.380 1.467 20 0 BDADRP O[C@@H](CC1CCCC1)CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000385408897 711012965 /nfs/dbraw/zinc/01/29/65/711012965.db2.gz YOFRBKGMWOYTJY-RDBSUJKOSA-N 2 0 238.375 1.221 20 0 BDADRP CCCCOCCN1C[C@H]([NH3+])C(C)(C)C1 ZINC000388040023 711049657 /nfs/dbraw/zinc/04/96/57/711049657.db2.gz ISDNVBUTCOMVEA-NSHDSACASA-N 2 0 214.353 1.472 20 0 BDADRP C[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000389318036 711076346 /nfs/dbraw/zinc/07/63/46/711076346.db2.gz FYUIADDGOZUIBG-MDZLAQPJSA-N 2 0 208.349 1.859 20 0 BDADRP CC1(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CCCC1 ZINC000389606503 711083218 /nfs/dbraw/zinc/08/32/18/711083218.db2.gz YPRLNPWVBDGURX-RYUDHWBXSA-N 2 0 208.349 1.718 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCCCCCC1 ZINC000390660741 711131165 /nfs/dbraw/zinc/13/11/65/711131165.db2.gz QAQINBOZBUOCFU-ZDUSSCGKSA-N 2 0 228.380 1.565 20 0 BDADRP C[NH+]1CCC(C[NH2+]CC2=CC[N@H+](C)CC2)CC1 ZINC000392184501 711143081 /nfs/dbraw/zinc/14/30/81/711143081.db2.gz CAUYHKUDGRRYIC-UHFFFAOYSA-N 3 0 237.391 1.180 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000392948799 711155023 /nfs/dbraw/zinc/15/50/23/711155023.db2.gz VHZKVGDBFIWYMG-CHWSQXEVSA-N 2 0 224.348 1.405 20 0 BDADRP CC(C)[C@H]([NH3+])CCNCc1ncc(Cl)n1C ZINC000393599434 711164983 /nfs/dbraw/zinc/16/49/83/711164983.db2.gz OFNHWUSRSFHFAP-SECBINFHSA-N 2 0 244.770 1.537 20 0 BDADRP Cc1nc(C)c(C[NH2+]CCC(C)(C)[NH3+])s1 ZINC000393658301 711167819 /nfs/dbraw/zinc/16/78/19/711167819.db2.gz WAIZIAHAHMODRM-UHFFFAOYSA-N 2 0 227.377 1.977 20 0 BDADRP CC1(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000393930922 711179476 /nfs/dbraw/zinc/17/94/76/711179476.db2.gz KDHKEQDMXINHFU-KKJSVHSVSA-N 2 0 206.333 1.373 20 0 BDADRP CC[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C(C)(C)O ZINC000394011757 711181087 /nfs/dbraw/zinc/18/10/87/711181087.db2.gz DKTWHTBDLFAUCB-LIBFEPKXSA-N 2 0 238.375 1.122 20 0 BDADRP CC[C@@H]([NH2+]CC1CC[NH+](C)CC1)C(C)(C)O ZINC000394020548 711181691 /nfs/dbraw/zinc/18/16/91/711181691.db2.gz LRYWHKRFQIXOAZ-GFCCVEGCSA-N 2 0 228.380 1.467 20 0 BDADRP C(CC1CC1)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000394459646 711192624 /nfs/dbraw/zinc/19/26/24/711192624.db2.gz UBQXLEHDGTYTEZ-CQSZACIVSA-N 2 0 237.391 1.156 20 0 BDADRP Cc1cc(C)n(CC[N@@H+]2CC[C@@H](CC[NH3+])C2)n1 ZINC000395334877 711207374 /nfs/dbraw/zinc/20/73/74/711207374.db2.gz UJDREZLZULZGMT-CYBMUJFWSA-N 2 0 236.363 1.171 20 0 BDADRP C[C@H]([NH2+]Cc1cn(C)cn1)C1CC[NH+](C)CC1 ZINC000396455786 711221234 /nfs/dbraw/zinc/22/12/34/711221234.db2.gz MOSZUTDVZSKQAP-NSHDSACASA-N 2 0 236.363 1.240 20 0 BDADRP C[C@@H]1NCCC[C@H]1[NH2+]CCCC[NH+](C)C ZINC000396602695 711358937 /nfs/dbraw/zinc/35/89/37/711358937.db2.gz BJGRAVNUFKNLLE-NWDGAFQWSA-N 2 0 213.369 1.058 20 0 BDADRP C[C@H]1C[C@H]([NH3+])CCN1CCOC(F)F ZINC000398185535 711404091 /nfs/dbraw/zinc/40/40/91/711404091.db2.gz OMPLBVDEVJZRDC-JGVFFNPUSA-N 2 0 208.252 1.037 20 0 BDADRP C[C@H]1COCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000399249392 711425850 /nfs/dbraw/zinc/42/58/50/711425850.db2.gz FDRLPQMYROVELQ-OLZOCXBDSA-N 2 0 226.364 1.344 20 0 BDADRP COC[C@@H](C[N@H+](C)CC(C)(C)C[NH3+])C(C)C ZINC000721913127 710692201 /nfs/dbraw/zinc/69/22/01/710692201.db2.gz OEGHSSVLLGBHSH-GFCCVEGCSA-N 2 0 230.396 1.822 20 0 BDADRP Cc1nc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cs1 ZINC000722522949 710715111 /nfs/dbraw/zinc/71/51/11/710715111.db2.gz AKIXWCNNXZUCNZ-MWLCHTKSSA-N 2 0 239.388 1.787 20 0 BDADRP FC1(F)CC(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000383195290 710978860 /nfs/dbraw/zinc/97/88/60/710978860.db2.gz XQVHLCQQYVYDJT-RNWYCLNJSA-N 2 0 242.313 1.618 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]Cc2cc[nH]c(=O)c2)CC[N@@H+]1C ZINC000392645025 711150316 /nfs/dbraw/zinc/15/03/16/711150316.db2.gz RADFWXWGXKPCIK-JQWIXIFHSA-N 2 0 235.331 1.360 20 0 BDADRP C[N@H+](C[C@@H](O)C1CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394330027 711189517 /nfs/dbraw/zinc/18/95/17/711189517.db2.gz OHRQYFYZINBXBU-QNMSZWNNSA-N 2 0 238.375 1.314 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC3(C2)CCOCC3)C1 ZINC000383224619 711477129 /nfs/dbraw/zinc/47/71/29/711477129.db2.gz AIQTYWDGTRNZTM-QWHCGFSZSA-N 2 0 238.375 1.616 20 0 BDADRP C[NH+](C)CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000045662925 711488091 /nfs/dbraw/zinc/48/80/91/711488091.db2.gz FRLKTTRHXSRMBF-AGUYFDCRSA-N 3 0 239.407 1.543 20 0 BDADRP C=C/C=C\CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000713501149 711491506 /nfs/dbraw/zinc/49/15/06/711491506.db2.gz DXYDEGLSKKEMHH-SCOBNMCVSA-N 2 0 224.348 1.165 20 0 BDADRP Cc1nc(C)c(CN2CC[C@H]3[NH2+]CC[C@H]3C2)o1 ZINC000723633464 711527821 /nfs/dbraw/zinc/52/78/21/711527821.db2.gz KUIOYWWSGYSBAY-NWDGAFQWSA-N 2 0 235.331 1.475 20 0 BDADRP Cc1ccc(O)c(C[N@@H+]2CC[C@H](CC[NH3+])C2)n1 ZINC000723670498 711533491 /nfs/dbraw/zinc/53/34/91/711533491.db2.gz SZTGZICRLJBKRY-NSHDSACASA-N 2 0 235.331 1.266 20 0 BDADRP C[C@@H]1C[C@H](C)CC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000723787943 711537302 /nfs/dbraw/zinc/53/73/02/711537302.db2.gz QMZUSRMDAAWFRL-ZIAGYGMSSA-N 2 0 239.407 1.260 20 0 BDADRP Cc1cc(C)nc(C[N@H+](C)CCOCC[NH3+])c1 ZINC000723878991 711542073 /nfs/dbraw/zinc/54/20/73/711542073.db2.gz IXGFIEYHDCJFET-UHFFFAOYSA-N 2 0 237.347 1.106 20 0 BDADRP Cc1nocc1C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723882505 711543175 /nfs/dbraw/zinc/54/31/75/711543175.db2.gz ISEWDNBFRJMISG-MWLCHTKSSA-N 2 0 223.320 1.400 20 0 BDADRP CC(C)COCC[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723907521 711545140 /nfs/dbraw/zinc/54/51/40/711545140.db2.gz MPNCDQQPQVKYOP-CHWSQXEVSA-N 2 0 228.380 1.576 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@H]1CC[NH3+] ZINC000723899366 711545145 /nfs/dbraw/zinc/54/51/45/711545145.db2.gz BLJSRONBRCILPJ-BPLDGKMQSA-N 2 0 248.370 1.637 20 0 BDADRP C[C@@H]1C[C@H](C)C[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000382658733 711546650 /nfs/dbraw/zinc/54/66/50/711546650.db2.gz WQEJAAKDRWHTEH-HZSPNIEDSA-N 2 0 240.391 1.421 20 0 BDADRP C[C@H](C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C1CC1 ZINC000382219630 711613977 /nfs/dbraw/zinc/61/39/77/711613977.db2.gz MRIVEJOQHHJSEQ-IGEOAAGFSA-N 2 0 220.360 1.619 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C/C=C/Cl)C[C@H]21 ZINC000228544120 711636292 /nfs/dbraw/zinc/63/62/92/711636292.db2.gz YBIGQAITPGRAMU-BTIZVGEESA-N 2 0 214.740 1.798 20 0 BDADRP Cc1coc(C[NH2+]CC2=CC[N@H+](C)CC2)c1 ZINC000718038771 711640533 /nfs/dbraw/zinc/64/05/33/711640533.db2.gz WWANCDDTDOIXLH-UHFFFAOYSA-N 2 0 220.316 1.940 20 0 BDADRP CSC1(C[NH2+]C2CCC([NH3+])CC2)CC1 ZINC000235219380 711648505 /nfs/dbraw/zinc/64/85/05/711648505.db2.gz NRGPTJGHNDNKEK-UHFFFAOYSA-N 2 0 214.378 1.742 20 0 BDADRP Cn1cnnc1[C@@H]1CCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000311230794 711682965 /nfs/dbraw/zinc/68/29/65/711682965.db2.gz SWSUMXJTEWNXOV-WOPDTQHZSA-N 2 0 249.362 1.079 20 0 BDADRP CC1(C)[C@H]([NH2+]C[C@@H]2CCCO2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925502999 711692800 /nfs/dbraw/zinc/69/28/00/711692800.db2.gz MJKVLGJZSSXZSG-QNWHQSFQSA-N 2 0 238.375 1.532 20 0 BDADRP COC/C(C)=C/C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000930555336 711696798 /nfs/dbraw/zinc/69/67/98/711696798.db2.gz MFTOZBUEUAYOLV-QJIMOZNHSA-N 2 0 238.375 1.607 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CC2CC[NH2+]CC2)C1 ZINC000925689164 711709359 /nfs/dbraw/zinc/70/93/59/711709359.db2.gz HDRRUVAPZNUYFX-QWHCGFSZSA-N 3 0 239.407 1.482 20 0 BDADRP CCC1([NH3+])CCN([C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000925759817 711735849 /nfs/dbraw/zinc/73/58/49/711735849.db2.gz HUWLRUDPOAWWRZ-STQMWFEESA-N 2 0 239.407 1.707 20 0 BDADRP CCC1([NH3+])CCN([C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000925759813 711735856 /nfs/dbraw/zinc/73/58/56/711735856.db2.gz HUWLRUDPOAWWRZ-OLZOCXBDSA-N 2 0 239.407 1.707 20 0 BDADRP CC(C)([NH3+])C(=O)NCC[NH2+]C1CCCCCC1 ZINC000236792416 711741136 /nfs/dbraw/zinc/74/11/36/711741136.db2.gz RMLSJOAGTISLAJ-UHFFFAOYSA-N 2 0 241.379 1.152 20 0 BDADRP CC[C@]1(C)CC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000399443476 711747346 /nfs/dbraw/zinc/74/73/46/711747346.db2.gz VANROENZGQMXKJ-FRRDWIJNSA-N 2 0 210.365 1.964 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1N[C@H](CCC[NH3+])c1ccccc1 ZINC000925780602 711748326 /nfs/dbraw/zinc/74/83/26/711748326.db2.gz SGBALHHBSUEQOI-BPLDGKMQSA-N 2 0 247.386 1.664 20 0 BDADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)N[C@@H]1C[NH2+]C[C@H]1C ZINC000925786739 711751149 /nfs/dbraw/zinc/75/11/49/711751149.db2.gz VRKHEVJUYKGMAQ-QHSBEEBCSA-N 2 0 247.386 1.142 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]C[C@]12C[C@H]1CCC2 ZINC000925880310 711762130 /nfs/dbraw/zinc/76/21/30/711762130.db2.gz IZYUFFCFEDEJCP-NDBYEHHHSA-N 2 0 208.349 1.894 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](C(C)(C)O)C1 ZINC000721797585 711770014 /nfs/dbraw/zinc/77/00/14/711770014.db2.gz GVVCQBNBCMUTTN-OLZOCXBDSA-N 2 0 240.391 1.564 20 0 BDADRP C[C@@H]([NH3+])C[N@H+](C)CC[C@@H]1CC1(Cl)Cl ZINC000399265436 711781987 /nfs/dbraw/zinc/78/19/87/711781987.db2.gz RHNRSYUGMLUVJM-HTQZYQBOSA-N 2 0 225.163 1.849 20 0 BDADRP CN(C)C(C)(C)C[NH2+]CC1CC[NH+](C)CC1 ZINC000054240144 711782631 /nfs/dbraw/zinc/78/26/31/711782631.db2.gz CLSAMNQYWCIACL-UHFFFAOYSA-N 2 0 227.396 1.258 20 0 BDADRP COC[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC000721870058 711792981 /nfs/dbraw/zinc/79/29/81/711792981.db2.gz AYGPUEDLHIENEZ-MELADBBJSA-N 2 0 242.407 1.977 20 0 BDADRP CC(C)(O)CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401060942 711793360 /nfs/dbraw/zinc/79/33/60/711793360.db2.gz JKSONVGBCJSMJM-QJPTWQEYSA-N 2 0 226.364 1.125 20 0 BDADRP Cc1ccncc1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000162656975 711797259 /nfs/dbraw/zinc/79/72/59/711797259.db2.gz YGJNSJNUMYWQSO-TZMCWYRMSA-N 2 0 233.359 1.997 20 0 BDADRP O[C@@H](CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000721345210 711802734 /nfs/dbraw/zinc/80/27/34/711802734.db2.gz XPJFARNNPIGSNZ-ZNMIVQPWSA-N 2 0 246.354 1.261 20 0 BDADRP CSC(C)(C)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000229083640 711837500 /nfs/dbraw/zinc/83/75/00/711837500.db2.gz JRXIILWDKHKWQQ-UWVGGRQHSA-N 2 0 216.394 1.988 20 0 BDADRP COC[C@@H](C[N@H+](C)C1CC[NH2+]CC1)C(C)C ZINC000721914056 711918081 /nfs/dbraw/zinc/91/80/81/711918081.db2.gz QXQFGTAGKTXPPT-GFCCVEGCSA-N 2 0 228.380 1.589 20 0 BDADRP COC(=O)N(C)CC[N@H+](C)CCCCCC[NH3+] ZINC000700788018 712005088 /nfs/dbraw/zinc/00/50/88/712005088.db2.gz ITPBDKALUMUKOT-UHFFFAOYSA-N 2 0 245.367 1.136 20 0 BDADRP CC(C)OCCC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702072039 712038132 /nfs/dbraw/zinc/03/81/32/712038132.db2.gz XNOFRNYNCJBUDM-QWHCGFSZSA-N 2 0 226.364 1.343 20 0 BDADRP COC1CC(C[NH2+][C@H]2CC[NH2+]CC2(C)C)C1 ZINC000703121658 712066616 /nfs/dbraw/zinc/06/66/16/712066616.db2.gz VKOIIMGBMYHJSZ-MCIGGMRASA-N 2 0 226.364 1.389 20 0 BDADRP COC1CC(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)C1 ZINC000703162656 712067011 /nfs/dbraw/zinc/06/70/11/712067011.db2.gz JLYQLRHLENLJKP-HBIQZDMRSA-N 2 0 212.337 1.081 20 0 BDADRP COC[C@H]1CCCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000703580508 712079836 /nfs/dbraw/zinc/07/98/36/712079836.db2.gz AIZJPAMEZQZLMA-RWMBFGLXSA-N 2 0 226.364 1.472 20 0 BDADRP CC1(O)CCC([NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000703605268 712082135 /nfs/dbraw/zinc/08/21/35/712082135.db2.gz NFTDXPMKCYDJSX-ZFQMDJOTSA-N 2 0 238.375 1.540 20 0 BDADRP CC1([NH3+])CC[NH+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000704524739 712109520 /nfs/dbraw/zinc/10/95/20/712109520.db2.gz PDNBOUDQNRBNEB-UHFFFAOYSA-N 2 0 244.342 1.876 20 0 BDADRP C(C[C@@H]1CCSC1)[NH2+]C1CC[NH2+]CC1 ZINC000704870454 712119710 /nfs/dbraw/zinc/11/97/10/712119710.db2.gz JWKLANGYNGMIRX-SNVBAGLBSA-N 2 0 214.378 1.471 20 0 BDADRP CN(CCC[NH2+]C1CC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000705135902 712122428 /nfs/dbraw/zinc/12/24/28/712122428.db2.gz ZWYUCKBWNHHGAQ-CYBMUJFWSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@@H]1CCCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000705913659 712138951 /nfs/dbraw/zinc/13/89/51/712138951.db2.gz SDEAHTUVVFLEDP-KGLIPLIRSA-N 2 0 240.391 1.565 20 0 BDADRP CCO[C@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000706544522 712149463 /nfs/dbraw/zinc/14/94/63/712149463.db2.gz RTRQJIUTTAMPNA-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP COC(=O)CCCC[N@H+](C)C1CCC([NH3+])CC1 ZINC000707493068 712172589 /nfs/dbraw/zinc/17/25/89/712172589.db2.gz BUVJOFYWBVCAHH-UHFFFAOYSA-N 2 0 242.363 1.531 20 0 BDADRP C(C[NH2+]C1CC1)C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000707649612 712176461 /nfs/dbraw/zinc/17/64/61/712176461.db2.gz GDWMUDLHILPISF-CYBMUJFWSA-N 2 0 224.348 1.241 20 0 BDADRP CCOC[C@H]1CC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000708270783 712184514 /nfs/dbraw/zinc/18/45/14/712184514.db2.gz NDBWLJQVFLVGMV-AGIUHOORSA-N 2 0 226.364 1.200 20 0 BDADRP CCOC[C@H]1CC[N@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000708285125 712185594 /nfs/dbraw/zinc/18/55/94/712185594.db2.gz DZCZMTXJUXQPFY-UONOGXRCSA-N 2 0 240.391 1.735 20 0 BDADRP CC1(C)CO[C@H](C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000708323136 712187458 /nfs/dbraw/zinc/18/74/58/712187458.db2.gz LJLDCHGMAZQACT-SGMGOOAPSA-N 2 0 238.375 1.343 20 0 BDADRP C[NH+]1CCC(C[NH2+]C[C@@H]2CC(C)(C)CO2)CC1 ZINC000708332919 712188024 /nfs/dbraw/zinc/18/80/24/712188024.db2.gz MLBNODQQHXVDTM-ZDUSSCGKSA-N 2 0 240.391 1.733 20 0 BDADRP CN(C[C@H]1CC(C)(C)CO1)CC(C)(C)[NH3+] ZINC000708354644 712190162 /nfs/dbraw/zinc/19/01/62/712190162.db2.gz KYLZKJUNDMJBBK-SNVBAGLBSA-N 2 0 214.353 1.471 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)C1 ZINC000708678807 712196394 /nfs/dbraw/zinc/19/63/94/712196394.db2.gz BCGNAHINEUNTIT-ZRUFSTJUSA-N 2 0 212.337 1.127 20 0 BDADRP Cc1nc(CN2CC[C@H]([NH+](C)C)[C@H]2C)[nH]c1C ZINC000709065264 712206590 /nfs/dbraw/zinc/20/65/90/712206590.db2.gz NVAZZCIZLSOPHA-NEPJUHHUSA-N 2 0 236.363 1.551 20 0 BDADRP C[C@@H](O)[C@H]1CCC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000709414405 712221368 /nfs/dbraw/zinc/22/13/68/712221368.db2.gz JHVCLUMBCUTJLR-OCCSQVGLSA-N 2 0 240.391 1.421 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1CCCOC1)[NH2+]2 ZINC000709447040 712222105 /nfs/dbraw/zinc/22/21/05/712222105.db2.gz DYCPQVFOXOROTN-KSSYENDESA-N 2 0 224.348 1.284 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+]C1CC(F)(F)C1)[NH2+]2 ZINC000709476775 712222791 /nfs/dbraw/zinc/22/27/91/712222791.db2.gz NFDBZDOMIHCAFF-MKHNBGRSSA-N 2 0 230.302 1.903 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000710548999 712226632 /nfs/dbraw/zinc/22/66/32/712226632.db2.gz DBJAZPOBSOBCHO-RCZSTQMZSA-N 2 0 244.329 1.993 20 0 BDADRP CCCC[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709795617 712227368 /nfs/dbraw/zinc/22/73/68/712227368.db2.gz SBKBVDUDPAYPFN-RKDXNWHRSA-N 2 0 224.270 1.856 20 0 BDADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccnc1)C2 ZINC000709820126 712228259 /nfs/dbraw/zinc/22/82/59/712228259.db2.gz ARNBQOAPABJMRA-XQQFMLRXSA-N 2 0 217.316 1.393 20 0 BDADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCCCF)C2 ZINC000709823618 712228655 /nfs/dbraw/zinc/22/86/55/712228655.db2.gz QVBBWJAUFINITJ-TUAOUCFPSA-N 2 0 214.328 1.938 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCc2ccns2)CC[N@@H+]1C ZINC000709826013 712228676 /nfs/dbraw/zinc/22/86/76/712228676.db2.gz OSWSUXXEHZAVER-MNOVXSKESA-N 2 0 239.388 1.758 20 0 BDADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccncc1)C2 ZINC000709822280 712228828 /nfs/dbraw/zinc/22/88/28/712228828.db2.gz GHHZGPKPWHMDSF-AVGNSLFASA-N 2 0 217.316 1.393 20 0 BDADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC[C@@H]1CCCCO1)C2 ZINC000709864921 712229853 /nfs/dbraw/zinc/22/98/53/712229853.db2.gz VOHMIJPUXUENHU-CRWXNKLISA-N 2 0 238.375 1.757 20 0 BDADRP C[N@H+](CCCCCC[NH3+])CCN1CCCCC1 ZINC000710750599 712256316 /nfs/dbraw/zinc/25/63/16/712256316.db2.gz NHTRCUKZSXTNQN-UHFFFAOYSA-N 2 0 241.423 1.923 20 0 BDADRP C[N@H+](CCCCCC[NH3+])CC[C@@H]1CCOC1 ZINC000710781945 712256611 /nfs/dbraw/zinc/25/66/11/712256611.db2.gz QEBFSSNVOIFLLO-CYBMUJFWSA-N 2 0 228.380 1.864 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1COC[C@H]1C ZINC000710852599 712259205 /nfs/dbraw/zinc/25/92/05/712259205.db2.gz MCSOUBSSCNXZGD-YIYPIFLZSA-N 2 0 240.391 1.922 20 0 BDADRP CCCC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710641811 712264427 /nfs/dbraw/zinc/26/44/27/712264427.db2.gz MDXCJRSHJBUIAJ-UHFFFAOYSA-N 2 0 214.353 1.175 20 0 BDADRP CCC[C@H](C)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710642698 712264471 /nfs/dbraw/zinc/26/44/71/712264471.db2.gz RHCDDDQTJJYDAV-LBPRGKRZSA-N 2 0 228.380 1.564 20 0 BDADRP CCCCC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710640840 712264725 /nfs/dbraw/zinc/26/47/25/712264725.db2.gz FPTRTAYAMBAXMG-UHFFFAOYSA-N 2 0 228.380 1.565 20 0 BDADRP C[NH+](C)CC1(O)CC[NH+](CC2CCCC2)CC1 ZINC000710664538 712265188 /nfs/dbraw/zinc/26/51/88/712265188.db2.gz KOFQPHYEMWOOAQ-UHFFFAOYSA-N 2 0 240.391 1.565 20 0 BDADRP C[NH+](C)CC1(O)CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000710663379 712265473 /nfs/dbraw/zinc/26/54/73/712265473.db2.gz DPQKIEHLQFNORL-ZDUSSCGKSA-N 2 0 238.375 1.484 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@H](CF)C1 ZINC000711417189 712299219 /nfs/dbraw/zinc/29/92/19/712299219.db2.gz UEPZRSVMAVQTJV-VWYCJHECSA-N 2 0 200.301 1.133 20 0 BDADRP FC[C@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000711443566 712300519 /nfs/dbraw/zinc/30/05/19/712300519.db2.gz MWGHIYCOWGNNQZ-MNOVXSKESA-N 2 0 200.301 1.277 20 0 BDADRP C[C@]1(C[N@@H+]2CC[C@@H](CF)C2)CC[NH2+]C1 ZINC000711519707 712308651 /nfs/dbraw/zinc/30/86/51/712308651.db2.gz NAEZQEBNVKTJPY-QWRGUYRKSA-N 2 0 200.301 1.277 20 0 BDADRP C[C@@H]1[C@H](C)NC[C@H](C)[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000923435143 712322053 /nfs/dbraw/zinc/32/20/53/712322053.db2.gz DRELJIDAVBFNOJ-WUHRBBMRSA-N 2 0 225.380 1.057 20 0 BDADRP C[C@H]1CC[N@H+](CCOC2CC2)C[C@H]1C[NH3+] ZINC000711754307 712324930 /nfs/dbraw/zinc/32/49/30/712324930.db2.gz UDRAYRKKLQBKEE-WDEREUQCSA-N 2 0 212.337 1.082 20 0 BDADRP [NH3+]CCC1CC[NH+](CCOC2CC2)CC1 ZINC000711752615 712325259 /nfs/dbraw/zinc/32/52/59/712325259.db2.gz MORCOPZCENDDBL-UHFFFAOYSA-N 2 0 212.337 1.226 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000923479855 712334211 /nfs/dbraw/zinc/33/42/11/712334211.db2.gz DPDKCTKNWHPBDK-AWEZNQCLSA-N 3 0 239.407 1.437 20 0 BDADRP CCc1nocc1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923480101 712334384 /nfs/dbraw/zinc/33/43/84/712334384.db2.gz FJLZXMWIJQSMPA-SNVBAGLBSA-N 2 0 223.320 1.408 20 0 BDADRP C=C/C=C\CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000713501146 712463545 /nfs/dbraw/zinc/46/35/45/712463545.db2.gz DXYDEGLSKKEMHH-DHCBQETCSA-N 2 0 224.348 1.165 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](C[C@@H]2CCC(C)(C)CO2)C1 ZINC000713588923 712466064 /nfs/dbraw/zinc/46/60/64/712466064.db2.gz YGWQFHOKMFDBJT-GXTWGEPZSA-N 2 0 240.391 1.862 20 0 BDADRP C=C/C=C\CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000713735589 712470477 /nfs/dbraw/zinc/47/04/77/712470477.db2.gz PRGDNEPXVZCERM-LDIIPZEWSA-N 2 0 206.333 1.803 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](C[C@@H]2CCCC(C)(C)O2)C1 ZINC000714376439 712485039 /nfs/dbraw/zinc/48/50/39/712485039.db2.gz ZQGWNKULACRXAQ-OLZOCXBDSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H](O)C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714409464 712485676 /nfs/dbraw/zinc/48/56/76/712485676.db2.gz HDLUDAYPPIMIIR-SNVBAGLBSA-N 2 0 214.353 1.064 20 0 BDADRP COC[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000714444214 712489201 /nfs/dbraw/zinc/48/92/01/712489201.db2.gz RWACTOFEIOCEDQ-MQYQWHSLSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@@H]2C[C@H]2C2CC2)C[C@H]1C[NH3+] ZINC000714778598 712498373 /nfs/dbraw/zinc/49/83/73/712498373.db2.gz JVZNOJXVMRMKLX-ZRJCITRHSA-N 2 0 222.376 1.949 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@H]2COC(C)(C)O2)C1 ZINC000715115877 712510599 /nfs/dbraw/zinc/51/05/99/712510599.db2.gz QYAMETMYWMYPKB-NEPJUHHUSA-N 2 0 242.363 1.069 20 0 BDADRP CC[NH+](CC)CCC[NH2+]C[C@H]1COC(C)(C)O1 ZINC000715127077 712511554 /nfs/dbraw/zinc/51/15/54/712511554.db2.gz RHQBBVKZBBVTLM-LBPRGKRZSA-N 2 0 244.379 1.459 20 0 BDADRP CCC1([NH+](C)C)CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000715262428 712514732 /nfs/dbraw/zinc/51/47/32/712514732.db2.gz GMXPMDRVWGXSPA-CYBMUJFWSA-N 2 0 239.407 1.545 20 0 BDADRP CC1([NH3+])CC[NH+](C[C@@H]2CC[C@H](C3CC3)O2)CC1 ZINC000715401206 712517142 /nfs/dbraw/zinc/51/71/42/712517142.db2.gz HRUDDNGPERWPLC-QWHCGFSZSA-N 2 0 238.375 1.757 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CC[C@H]1CCCS1 ZINC000715600546 712527565 /nfs/dbraw/zinc/52/75/65/712527565.db2.gz JFYGYNSYXSAXBI-NWDGAFQWSA-N 2 0 246.420 1.616 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CCCS1 ZINC000715750844 712531290 /nfs/dbraw/zinc/53/12/90/712531290.db2.gz BWQYMJDCZJWGKX-TUAOUCFPSA-N 2 0 228.405 1.989 20 0 BDADRP C[C@H](Cn1ccnc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000037157661 712549581 /nfs/dbraw/zinc/54/95/81/712549581.db2.gz QUXODCYOBTUOHD-RLAWYHOSSA-N 3 0 248.374 1.486 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC=CO1 ZINC000380003246 712651906 /nfs/dbraw/zinc/65/19/06/712651906.db2.gz ABOHMCHBSADLJO-SDDRHHMPSA-N 2 0 210.321 1.396 20 0 BDADRP C1CC1[N@@H+]1CC[C@H](N[C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925495681 712698633 /nfs/dbraw/zinc/69/86/33/712698633.db2.gz NGHNQCLHGOSVHA-JSGCOSHPSA-N 2 0 249.402 1.487 20 0 BDADRP C[NH+]1CCC(NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000037649341 712734028 /nfs/dbraw/zinc/73/40/28/712734028.db2.gz NLZDIUPJHJJLMS-LBPRGKRZSA-N 2 0 237.391 1.155 20 0 BDADRP c1cc(C[NH2+][C@]23C[C@H]2COC3)c2c(c1)C[NH2+]CC2 ZINC000718062821 712739804 /nfs/dbraw/zinc/73/98/04/712739804.db2.gz IWVXZEZLHASWDT-ZFWWWQNUSA-N 2 0 244.338 1.211 20 0 BDADRP C[NH+](C)C1(CNC2CC[NH2+]CC2)CCCCC1 ZINC000038040620 712801462 /nfs/dbraw/zinc/80/14/62/712801462.db2.gz KTKHGJOQZRSFTK-UHFFFAOYSA-N 2 0 239.407 1.593 20 0 BDADRP [NH3+]C1CC(NCc2nc3c(s2)CCCC3)C1 ZINC000719596262 712813628 /nfs/dbraw/zinc/81/36/28/712813628.db2.gz RWUFAMZLUZIHJY-UHFFFAOYSA-N 2 0 237.372 1.601 20 0 BDADRP CCC[NH+]1CCC(N[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000719649015 712820463 /nfs/dbraw/zinc/82/04/63/712820463.db2.gz SDOPBEGBXYCUBE-TZMCWYRMSA-N 2 0 239.407 1.543 20 0 BDADRP C[C@@H]1CC[N@H+](CCCCCC[NH3+])CCO1 ZINC000719782574 712824830 /nfs/dbraw/zinc/82/48/30/712824830.db2.gz PAGOMVZCANLGHD-GFCCVEGCSA-N 2 0 214.353 1.616 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](CCc2ccns2)C1 ZINC000719889837 712826533 /nfs/dbraw/zinc/82/65/33/712826533.db2.gz OFRKRWODLJLIEH-SNVBAGLBSA-N 2 0 225.361 1.356 20 0 BDADRP Cc1conc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000720380729 712837068 /nfs/dbraw/zinc/83/70/68/712837068.db2.gz SXXZVCHUPMHKOS-LLVKDONJSA-N 2 0 223.320 1.544 20 0 BDADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2c1cc[nH+]c(CO)c1 ZINC000720483280 712846715 /nfs/dbraw/zinc/84/67/15/712846715.db2.gz JHLRRHIIHXVWPG-UONOGXRCSA-N 2 0 247.342 1.247 20 0 BDADRP Cc1cc(C[N@@H+]2CC[C@H](CC[NH3+])C2)c(C)nn1 ZINC000720534637 712849559 /nfs/dbraw/zinc/84/95/59/712849559.db2.gz XWFSSWXYRFVUTF-LBPRGKRZSA-N 2 0 234.347 1.264 20 0 BDADRP Cc1cc(C[NH+]2CCC(C[NH3+])CC2)c(C)nn1 ZINC000720584847 712854746 /nfs/dbraw/zinc/85/47/46/712854746.db2.gz VQDISHLLLRIBBM-UHFFFAOYSA-N 2 0 234.347 1.264 20 0 BDADRP CN(C[C@@H]1C[C@@H]2CCC[C@H]2O1)CC(C)(C)[NH3+] ZINC000720792039 712865955 /nfs/dbraw/zinc/86/59/55/712865955.db2.gz BUYUPFOTPTUETQ-SDDRHHMPSA-N 2 0 226.364 1.613 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](C[C@@H]2C[C@H]3CCC[C@H]3O2)C1 ZINC000720870796 712871677 /nfs/dbraw/zinc/87/16/77/712871677.db2.gz LPTZYMWRLUTZQS-XJFOESAGSA-N 2 0 238.375 1.615 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C1 ZINC000720870795 712871914 /nfs/dbraw/zinc/87/19/14/712871914.db2.gz LPTZYMWRLUTZQS-XDQVBPFNSA-N 2 0 238.375 1.615 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C1 ZINC000720873537 712873504 /nfs/dbraw/zinc/87/35/04/712873504.db2.gz QNLUBGZUGDVYCV-XUXIUFHCSA-N 2 0 238.375 1.615 20 0 BDADRP CN1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC[C@@H]1CC[NH2+]C1 ZINC000720890497 712875210 /nfs/dbraw/zinc/87/52/10/712875210.db2.gz MBRLOUQWEOILJQ-MELADBBJSA-N 2 0 237.391 1.155 20 0 BDADRP CN1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCCCC[NH3+] ZINC000720890431 712875231 /nfs/dbraw/zinc/87/52/31/712875231.db2.gz BKLZIJQXQSUMHU-ZIAGYGMSSA-N 2 0 239.407 1.674 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000720893510 712875724 /nfs/dbraw/zinc/87/57/24/712875724.db2.gz KWTKOEYHYGOFJZ-RQJABVFESA-N 2 0 237.391 1.010 20 0 BDADRP C[C@@H]1CC[C@H](N[C@@H]2COC(C)(C)C2)C[NH2+]1 ZINC000399112546 958517579 /nfs/dbraw/zinc/51/75/79/958517579.db2.gz ZMPWAWILOIIOJC-VWYCJHECSA-N 2 0 212.337 1.284 20 0 BDADRP [NH3+]C[C@H]1CCCC[N@H+](CCCCCO)C1 ZINC000308850325 959526893 /nfs/dbraw/zinc/52/68/93/959526893.db2.gz MOIMCJLHCSKMAM-GFCCVEGCSA-N 2 0 214.353 1.210 20 0 BDADRP C(C[N@@H+]1CCC[NH2+]CC1)C1CCOCC1 ZINC000308971093 959553650 /nfs/dbraw/zinc/55/36/50/959553650.db2.gz PLQDBCQYVCVICQ-UHFFFAOYSA-N 2 0 212.337 1.098 20 0 BDADRP C(O[C@H]1CCC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC001217775899 959586186 /nfs/dbraw/zinc/58/61/86/959586186.db2.gz CGYYQBYHIBCWDZ-NEPJUHHUSA-N 2 0 212.337 1.145 20 0 BDADRP CC[C@@]1([NH2+]CC[C@@H]2CCC[N@@H+]2C)CCOC1 ZINC000393753667 959898620 /nfs/dbraw/zinc/89/86/20/959898620.db2.gz UVKDXRGBLSUQHL-QWHCGFSZSA-N 2 0 226.364 1.629 20 0 BDADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)C1(Cl)CC1 ZINC000695639629 960312616 /nfs/dbraw/zinc/31/26/16/960312616.db2.gz RWRAMWDLCQPBCC-SNVBAGLBSA-N 2 0 234.771 1.314 20 0 BDADRP C[C@H](C[C@@H]1CCOC1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000689794496 960368626 /nfs/dbraw/zinc/36/86/26/960368626.db2.gz OICNBKSSDJRGNQ-OCCSQVGLSA-N 2 0 238.375 1.653 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCCOCC1 ZINC000710454340 962383712 /nfs/dbraw/zinc/38/37/12/962383712.db2.gz LTUJFPWQXNYCQW-OLZOCXBDSA-N 2 0 226.364 1.629 20 0 BDADRP C[C@H]1C[C@@H]([NH+]2CCC([NH+](C)C)CC2)CCO1 ZINC001168102549 963714379 /nfs/dbraw/zinc/71/43/79/963714379.db2.gz GMCVBKXNTGSBQL-AAEUAGOBSA-N 2 0 226.364 1.580 20 0 BDADRP C[C@@H]1C[C@@H]([N@H+](C)CC2CC[NH+](C)CC2)CCO1 ZINC001168128262 963804759 /nfs/dbraw/zinc/80/47/59/963804759.db2.gz PIKKKCQBUKWEOF-OCCSQVGLSA-N 2 0 240.391 1.828 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1cccc(C2CC2)n1 ZINC001159787877 964201293 /nfs/dbraw/zinc/20/12/93/964201293.db2.gz CUHHEUSGROCZHK-NSHDSACASA-N 2 0 220.320 1.395 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2CCC[C@H]2CN)CC1 ZINC000715196647 965821209 /nfs/dbraw/zinc/82/12/09/965821209.db2.gz XNOZXMAWIGWOFB-BPCQOVAHSA-N 2 0 225.380 1.282 20 0 BDADRP CC(C)C[C@H](CO)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715198114 965821773 /nfs/dbraw/zinc/82/17/73/965821773.db2.gz FTPIFYSHKNBSIF-ROKHWSDSSA-N 2 0 242.407 1.856 20 0 BDADRP CC[C@@H]1COC[C@@H]1[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000699529047 965943837 /nfs/dbraw/zinc/94/38/37/965943837.db2.gz ABGFJNWIVJOOBN-RNJOBUHISA-N 2 0 226.364 1.484 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCC[C@@](C)(O)CC2)CC1 ZINC000691348070 967254334 /nfs/dbraw/zinc/25/43/34/967254334.db2.gz BPBPMUXSKIXZIL-CQSZACIVSA-N 2 0 240.391 1.565 20 0 BDADRP [NH3+]C[C@@]1(F)CCC[N@H+](C[C@@H]2CCOC2)CC1 ZINC001205539386 967655657 /nfs/dbraw/zinc/65/56/57/967655657.db2.gz YDSGHVIJZFFGDR-NWDGAFQWSA-N 2 0 230.327 1.176 20 0 BDADRP Cc1cc(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)[nH]n1 ZINC001205545521 967692968 /nfs/dbraw/zinc/69/29/68/967692968.db2.gz IWIWQVDGPAPBNY-GFCCVEGCSA-N 2 0 240.326 1.371 20 0 BDADRP C[C@@H]1CC[C@H](C[NH3+])N(CC(C)(C)C[NH+](C)C)C1 ZINC001205805679 967831092 /nfs/dbraw/zinc/83/10/92/967831092.db2.gz RJHDDPLTFCCMOD-CHWSQXEVSA-N 2 0 241.423 1.633 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cn[nH]c2)CC1 ZINC001206296411 968207034 /nfs/dbraw/zinc/20/70/34/968207034.db2.gz SPBWZDQVZNCZIJ-GFCCVEGCSA-N 2 0 222.336 1.361 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@H+](CCCCO)CC1 ZINC001206296821 968207571 /nfs/dbraw/zinc/20/75/71/968207571.db2.gz VBMMGUNFNGNXMU-LBPRGKRZSA-N 2 0 214.353 1.210 20 0 BDADRP C[NH+](C)CCCCC[NH2+]C[C@@H](O)C(F)(F)F ZINC001250987766 968236068 /nfs/dbraw/zinc/23/60/68/968236068.db2.gz ZDTVMAXWKGLRQZ-SECBINFHSA-N 2 0 242.285 1.231 20 0 BDADRP CC[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](C(C)C)C[C@H]1C ZINC001251819643 968355218 /nfs/dbraw/zinc/35/52/18/968355218.db2.gz XHJYJZCJRPMSTO-JHJVBQTASA-N 2 0 228.380 1.466 20 0 BDADRP CC(C)(C)C[NH+]1CCC([NH2+]CC(C)(C)O)CC1 ZINC001252370383 968652456 /nfs/dbraw/zinc/65/24/56/968652456.db2.gz PRZCRJXWDHMNRR-UHFFFAOYSA-N 2 0 242.407 1.857 20 0 BDADRP C[NH+](C)CC(C)(C)CN1CCC([NH+](C)C)CC1 ZINC001207275792 968714557 /nfs/dbraw/zinc/71/45/57/968714557.db2.gz PMIUQAOVNLYUDT-UHFFFAOYSA-N 2 0 241.423 1.600 20 0 BDADRP C[NH+]1CCC(C[NH+]2CC3(C2)CCCCO3)CC1 ZINC001207393549 968750199 /nfs/dbraw/zinc/75/01/99/968750199.db2.gz CFUBPMIXEIBRJR-UHFFFAOYSA-N 2 0 238.375 1.583 20 0 BDADRP C[NH+]1CCC2(C[NH+](C[C@@H]3CCCOC3)C2)CC1 ZINC001207471485 968789250 /nfs/dbraw/zinc/78/92/50/968789250.db2.gz NCEFSQPGNQXKQO-ZDUSSCGKSA-N 2 0 238.375 1.441 20 0 BDADRP C[C@@H]1C[N@H+](CCC2CC[NH+](C)CC2)CCO1 ZINC001207479962 968792138 /nfs/dbraw/zinc/79/21/38/968792138.db2.gz QUQPDRLUTGETFZ-GFCCVEGCSA-N 2 0 226.364 1.439 20 0 BDADRP C[NH+]1CCC(CC[N@@H+]2CC[C@H](F)C2)CC1 ZINC001207480184 968799024 /nfs/dbraw/zinc/79/90/24/968799024.db2.gz WIGKOYGFIDOJRI-LBPRGKRZSA-N 2 0 214.328 1.762 20 0 BDADRP CCC[N@H+]1C[C@@H]2C[NH+](CC3(C)COC3)C[C@@H]2C1 ZINC001207800392 968888426 /nfs/dbraw/zinc/88/84/26/968888426.db2.gz QDLHEMPTTCKWOU-BETUJISGSA-N 2 0 238.375 1.297 20 0 BDADRP CC(=O)[C@@H]1CCC[N@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208115773 969006952 /nfs/dbraw/zinc/00/69/52/969006952.db2.gz NPDKDBNYAJXGAG-ZDUSSCGKSA-N 2 0 238.375 1.772 20 0 BDADRP CCCC[NH+]1CCC(N(C)CC[NH+](C)C)CC1 ZINC001208130833 969031947 /nfs/dbraw/zinc/03/19/47/969031947.db2.gz HRLICAOVCOEPKU-UHFFFAOYSA-N 2 0 241.423 1.744 20 0 BDADRP CC[NH+](CC)C[C@@H](O)C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC001253188153 969106155 /nfs/dbraw/zinc/10/61/55/969106155.db2.gz QXWKTUNCVSGTGH-YNEHKIRRSA-N 2 0 226.364 1.173 20 0 BDADRP CC[NH+](CC)C[C@H](O)C[NH2+][C@H]1CC[C@@H](F)CC1 ZINC001253202275 969107254 /nfs/dbraw/zinc/10/72/54/969107254.db2.gz GAQVAJGVNXYLKX-FRRDWIJNSA-N 2 0 246.370 1.559 20 0 BDADRP CC[NH+](CC)C[C@H](O)C[NH2+]C[C@H]1C[C@H](F)C1 ZINC001253206064 969112009 /nfs/dbraw/zinc/11/20/09/969112009.db2.gz KHMZBWJHJJETFL-IJLUTSLNSA-N 2 0 232.343 1.027 20 0 BDADRP CO[C@H]1CC[N@H+](CC2(C[NH+](C)C)CCCC2)C1 ZINC001208185044 969117294 /nfs/dbraw/zinc/11/72/94/969117294.db2.gz URXRYFQATQIZPT-ZDUSSCGKSA-N 2 0 240.391 1.829 20 0 BDADRP COCC(C)(C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169090690 969407040 /nfs/dbraw/zinc/40/70/40/969407040.db2.gz KVAFAIUCTCUUTB-CNDDSTCGSA-N 2 0 226.364 1.626 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCCOC1)C2 ZINC001169092266 969414357 /nfs/dbraw/zinc/41/43/57/969414357.db2.gz AXVDXSJFWAVAJL-RVMXOQNASA-N 2 0 224.348 1.380 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CC[C@@](C)(O)CC2)CC1 ZINC001254498417 969662572 /nfs/dbraw/zinc/66/25/72/969662572.db2.gz ZRWJFYATCSZFOX-MCIONIFRSA-N 2 0 240.391 1.754 20 0 BDADRP COC(=O)[C@H]1C[C@H]([NH2+][C@H]2CCC[N@H+](C)CC2)C1 ZINC001254504072 969672855 /nfs/dbraw/zinc/67/28/55/969672855.db2.gz SFTAFHWASRVAHI-SRVKXCTJSA-N 2 0 240.347 1.012 20 0 BDADRP C[C@H]1C[C@@H](CO)[N@@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254515760 969685507 /nfs/dbraw/zinc/68/55/07/969685507.db2.gz CHXAKVCOOZCNDG-AVGNSLFASA-N 2 0 226.364 1.173 20 0 BDADRP C[N@H+](CC1CCOCC1)[C@@H]1CCC[NH+](C)CC1 ZINC001254516183 969689784 /nfs/dbraw/zinc/68/97/84/969689784.db2.gz KCYLRTGNYQUCHG-CQSZACIVSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@@H]1C[N@@H+]([C@H]2CCC[NH+](C)CC2)CC[C@@H]1O ZINC001254517718 969695095 /nfs/dbraw/zinc/69/50/95/969695095.db2.gz YJYQCPFQMQVTHB-AGIUHOORSA-N 2 0 226.364 1.173 20 0 BDADRP C[N@H+]([C@H]1CC[C@H](O)CC1)[C@H]1CCC[NH+](C)CC1 ZINC001254518558 969695235 /nfs/dbraw/zinc/69/52/35/969695235.db2.gz BZUOPDJAGVRUIT-IHRRRGAJSA-N 2 0 240.391 1.706 20 0 BDADRP CC[N@@H+]1CCCN([C@@H]2CCC[NH+](C)CC2)CC1 ZINC001254517869 969698394 /nfs/dbraw/zinc/69/83/94/969698394.db2.gz ZHQOIXGWRFVYEZ-CQSZACIVSA-N 2 0 239.407 1.498 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH+]2CCCOC(C)(C)C2)CC1 ZINC001254522150 969713756 /nfs/dbraw/zinc/71/37/56/969713756.db2.gz CYJMXVCKKICLHH-CYBMUJFWSA-N 2 0 240.391 1.972 20 0 BDADRP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[NH+](C)CC2)[C@H](C)C1 ZINC001254533029 969730970 /nfs/dbraw/zinc/73/09/70/969730970.db2.gz ISCWCRPFFYEJNL-MGPQQGTHSA-N 2 0 240.391 1.970 20 0 BDADRP C[N@H+]([C@@H]1CCCOC1)[C@H]1CCC[NH+](C)CC1 ZINC001254533636 969731841 /nfs/dbraw/zinc/73/18/41/969731841.db2.gz NZTGRQCNSBOHIJ-QWHCGFSZSA-N 2 0 226.364 1.582 20 0 BDADRP C[C@H]([NH3+])c1ccc(N(C)C(C)(C)C[NH3+])cn1 ZINC001170060057 970112607 /nfs/dbraw/zinc/11/26/07/970112607.db2.gz DTAAODVZKLTEIN-VIFPVBQESA-N 2 0 222.336 1.275 20 0 BDADRP CC[NH+](CC)CCN(CC[NH3+])[C@H]1CC[C@@H](C)C1 ZINC001170102094 970293934 /nfs/dbraw/zinc/29/39/34/970293934.db2.gz RHURFUAJQHZYFE-KGLIPLIRSA-N 2 0 241.423 1.778 20 0 BDADRP CC[C@H]1C[C@H](NC(=[NH2+])SCC[NH3+])CCO1 ZINC001170169661 970544154 /nfs/dbraw/zinc/54/41/54/970544154.db2.gz OVXFHVOXHYMKHT-BDAKNGLRSA-N 2 0 231.365 1.160 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]CC[C@H](C)O ZINC001255950741 970563600 /nfs/dbraw/zinc/56/36/00/970563600.db2.gz KOSJEKZFTWJVBI-NEPJUHHUSA-N 2 0 216.369 1.467 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]CCCOC ZINC001255939586 970572413 /nfs/dbraw/zinc/57/24/13/970572413.db2.gz HVEBDGHFFHMQRO-GFCCVEGCSA-N 2 0 216.369 1.733 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]C1CSC1 ZINC001255942600 970574219 /nfs/dbraw/zinc/57/42/19/970574219.db2.gz GCOYUWWHJPBMEE-JTQLQIEISA-N 2 0 216.394 1.812 20 0 BDADRP Cc1nc(C[NH2+][C@@H](C)C2CC[NH2+]CC2)cs1 ZINC000400323928 970577858 /nfs/dbraw/zinc/57/78/58/970577858.db2.gz BWZJEBRFBIUXRX-VIFPVBQESA-N 2 0 239.388 1.929 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]C[C@H](C)CO ZINC001255942267 970577970 /nfs/dbraw/zinc/57/79/70/970577970.db2.gz DXKUVHUAXIYTJV-RYUDHWBXSA-N 2 0 216.369 1.325 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)NC[C@@H]1CC[N@H+](C)C1 ZINC001255944682 970577988 /nfs/dbraw/zinc/57/79/88/970577988.db2.gz XSQKDFYJYBDXBZ-KGLIPLIRSA-N 2 0 241.423 1.648 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)n1ccnc1C(N)=[NH2+] ZINC001255945952 970579149 /nfs/dbraw/zinc/57/91/49/970579149.db2.gz QGEXMUSINDJYPD-SNVBAGLBSA-N 2 0 237.351 1.460 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]C[C@H](O)C1CC1 ZINC001255949995 970582225 /nfs/dbraw/zinc/58/22/25/970582225.db2.gz DOQAPAAOPPONEM-YPMHNXCESA-N 2 0 228.380 1.467 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]CC1CN(C)C1 ZINC001255949604 970581701 /nfs/dbraw/zinc/58/17/01/970581701.db2.gz ZFKFDOLJODAVKP-GFCCVEGCSA-N 2 0 227.396 1.258 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]CCCOCCO ZINC001255950751 970582882 /nfs/dbraw/zinc/58/28/82/970582882.db2.gz KUPHGNKYAIUJPA-CYBMUJFWSA-N 2 0 246.395 1.095 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]CC1CC(O)C1 ZINC001255946334 970584188 /nfs/dbraw/zinc/58/41/88/970584188.db2.gz SLLGWNDVBIVSOK-HIFPTAJRSA-N 2 0 228.380 1.467 20 0 BDADRP Cc1noc(C)c1C[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000400404984 970586399 /nfs/dbraw/zinc/58/63/99/970586399.db2.gz RLIQKDDDZZPDOD-SECBINFHSA-N 2 0 237.347 1.769 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N1CC[NH+](C)CC1 ZINC001255954829 970591321 /nfs/dbraw/zinc/59/13/21/970591321.db2.gz ISBCGJOQLZLFCP-ZDUSSCGKSA-N 2 0 227.396 1.354 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[N@H+](CC)CCC(N)=O ZINC001255961110 970602368 /nfs/dbraw/zinc/60/23/68/970602368.db2.gz KQBZINLEVMFDDS-GFCCVEGCSA-N 2 0 243.395 1.304 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@](C)(O)C1 ZINC001255962901 970604169 /nfs/dbraw/zinc/60/41/69/970604169.db2.gz BWAYYGFXNKKVIK-KBPBESRZSA-N 2 0 242.407 1.954 20 0 BDADRP C[C@H](C[NH3+])CN(C)C1CC[NH+](C2CC2)CC1 ZINC001256071478 970635306 /nfs/dbraw/zinc/63/53/06/970635306.db2.gz ZNQFPYXUYLCBJP-LLVKDONJSA-N 3 0 225.380 1.140 20 0 BDADRP C[NH2+]CCN(C1CC[NH+](C)CC1)C(C)(C)C ZINC001256209083 970708678 /nfs/dbraw/zinc/70/86/78/970708678.db2.gz KYOGKOQRRCYRAE-UHFFFAOYSA-N 2 0 227.396 1.401 20 0 BDADRP C[NH+]1CCC(N2CC([NH+]3CCCCC3)C2)CC1 ZINC001256208636 970712858 /nfs/dbraw/zinc/71/28/58/970712858.db2.gz KOMDGHNPTSMVKQ-UHFFFAOYSA-N 2 0 237.391 1.251 20 0 BDADRP CCCO[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001256207974 970715184 /nfs/dbraw/zinc/71/51/84/970715184.db2.gz STNQPHQURVUHDV-ZDUSSCGKSA-N 2 0 226.364 1.582 20 0 BDADRP CC[NH+](CC)C1CCC([NH2+]C[C@H](C)C[NH3+])CC1 ZINC001173107493 975024292 /nfs/dbraw/zinc/02/42/92/975024292.db2.gz UMKIUTUYHLESDL-IYXRBSQSSA-N 3 0 241.423 1.824 20 0 BDADRP CC(C)[N@@H+]1CCC[C@@H](OCC[NH+](C)C)C1 ZINC001206277553 978128589 /nfs/dbraw/zinc/12/85/89/978128589.db2.gz BCROTPDZVSKGPY-GFCCVEGCSA-N 2 0 214.353 1.437 20 0 BDADRP CC[NH2+]CCN1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235038168 978959323 /nfs/dbraw/zinc/95/93/23/978959323.db2.gz DIRAQIXKXVDDHC-ZDUSSCGKSA-N 2 0 225.380 1.204 20 0 BDADRP CN(CCCCCC[NH3+])[C@H]1CCC[NH2+]C1 ZINC001235342415 979030080 /nfs/dbraw/zinc/03/00/80/979030080.db2.gz NACNVOJAPMVWTI-LBPRGKRZSA-N 2 0 213.369 1.189 20 0 BDADRP CCCNC(=O)[C@H]1CCCC[N@@H+]1CCCC[NH3+] ZINC001235713009 979131185 /nfs/dbraw/zinc/13/11/85/979131185.db2.gz VNCDPZVBDKUEDT-GFCCVEGCSA-N 2 0 241.379 1.106 20 0 BDADRP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001235891226 979183840 /nfs/dbraw/zinc/18/38/40/979183840.db2.gz DJUYLAJKQIFKCX-JHJVBQTASA-N 3 0 225.380 1.188 20 0 BDADRP CCN(CCCCCC[NH3+])CC[NH2+]C ZINC001236144842 979411620 /nfs/dbraw/zinc/41/16/20/979411620.db2.gz UPPMNOARVIDBNB-UHFFFAOYSA-N 2 0 201.358 1.047 20 0 BDADRP CN(CC[C@@H]1CCC[NH2+]C1)[C@@]1(C)CCC[NH2+]C1 ZINC001236200735 979445426 /nfs/dbraw/zinc/44/54/26/979445426.db2.gz JHQFVJPMEXZPDO-KBPBESRZSA-N 2 0 239.407 1.450 20 0 BDADRP CC[N@H+](C1CCOCC1)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000716444050 979659235 /nfs/dbraw/zinc/65/92/35/979659235.db2.gz TULYSDCXXGUVLI-WCQYABFASA-N 2 0 226.364 1.628 20 0 BDADRP C[C@@H]([NH3+])CN([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236647225 979689365 /nfs/dbraw/zinc/68/93/65/979689365.db2.gz LDJSFBOECMFBDH-YPMHNXCESA-N 2 0 225.380 1.330 20 0 BDADRP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC001343714233 980216654 /nfs/dbraw/zinc/21/66/54/980216654.db2.gz LXXPKCSXDQMBNA-TUAOUCFPSA-N 2 0 241.379 1.101 20 0 BDADRP c1nc(C[NH2+]C2CCC2)c2n1CCC[NH2+]C2 ZINC001239332980 980538840 /nfs/dbraw/zinc/53/88/40/980538840.db2.gz KXJVVECVDFUBCH-UHFFFAOYSA-N 2 0 220.320 1.019 20 0 BDADRP CC/C=C\CC[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205662803 981745072 /nfs/dbraw/zinc/74/50/72/981745072.db2.gz DTMJYEUDXPJFNK-DHCBQETCSA-N 2 0 226.364 1.518 20 0 BDADRP C[C@H](CC[NH3+])NC(=O)[C@H]([NH3+])C1CCCCCC1 ZINC001353602225 982912876 /nfs/dbraw/zinc/91/28/76/982912876.db2.gz JOQHRBGKJOXZQU-ZYHUDNBSSA-N 2 0 241.379 1.138 20 0 BDADRP [NH3+][C@@H]1CCCCN(CC[C@H]2CCCC[NH2+]2)C1 ZINC001205923373 983341524 /nfs/dbraw/zinc/34/15/24/983341524.db2.gz NLHOUZFXFOJFMO-CHWSQXEVSA-N 2 0 225.380 1.332 20 0 BDADRP C[NH+](C)CCN1CC[NH+](CCC(C)(C)C)CC1 ZINC001202055189 983541232 /nfs/dbraw/zinc/54/12/32/983541232.db2.gz CBOUTTFTAWPLBB-UHFFFAOYSA-N 2 0 241.423 1.602 20 0 BDADRP CCNC(=[NH2+])NCC1([NH+](C)C)CCCCC1 ZINC000848981052 983597285 /nfs/dbraw/zinc/59/72/85/983597285.db2.gz BHWDGMWNEALEMH-UHFFFAOYSA-N 2 0 226.368 1.385 20 0 BDADRP CCC[C@@H](O)C[NH2+]CC(C)(C)C[NH+](C)C ZINC001252801030 983895370 /nfs/dbraw/zinc/89/53/70/983895370.db2.gz SLFMTOJMOPCPSH-LLVKDONJSA-N 2 0 216.369 1.325 20 0 BDADRP CNC(=O)[C@@H]1CCCC[N@@H+]1CCCCCC[NH3+] ZINC000379965984 984064893 /nfs/dbraw/zinc/06/48/93/984064893.db2.gz LSCYYYLZABMHNR-LBPRGKRZSA-N 2 0 241.379 1.106 20 0 BDADRP C[NH2+][C@H](C)CCN[C@@H](C)C[C@H]1CCC[NH2+]1 ZINC001331418826 974712060 /nfs/dbraw/zinc/71/20/60/974712060.db2.gz LELBFFIEWSYEIA-GRYCIOLGSA-N 2 0 213.369 1.105 20 0 BDADRP CC(C)COCC[C@H](C)[NH2+]CCCC[NH3+] ZINC001172462201 974825557 /nfs/dbraw/zinc/82/55/57/974825557.db2.gz NEHHNTJVHGQRJK-LBPRGKRZSA-N 2 0 216.369 1.766 20 0 BDADRP C[NH2+][C@H](C)CCN[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC001331835595 974830819 /nfs/dbraw/zinc/83/08/19/974830819.db2.gz RKVOUMWKYRZVJJ-GRYCIOLGSA-N 2 0 225.380 1.199 20 0 BDADRP C[C@H]1C[N@@H+]([C@H]2COC(C)(C)C2)C[C@H]1C[NH3+] ZINC001246544319 972615137 /nfs/dbraw/zinc/61/51/37/972615137.db2.gz XRYRBHMYYFJMRS-HBNTYKKESA-N 2 0 212.337 1.081 20 0 BDADRP C[NH2+]C1CCC([N@@H+]2C[C@H](C)CC[C@@H]2CN)CC1 ZINC001246561384 972793383 /nfs/dbraw/zinc/79/33/83/972793383.db2.gz WWYHEWPTJCMDFQ-BLYZHGLHSA-N 2 0 239.407 1.576 20 0 BDADRP CCCCC[C@H](CCC)[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246587827 972977948 /nfs/dbraw/zinc/97/79/48/972977948.db2.gz VOZCRQFYGMHNEC-MELADBBJSA-N 2 0 242.407 1.987 20 0 BDADRP CC(C)N([C@@H]1C[NH2+][C@H](C)C1)[C@@H]1CCC[NH2+]CC1 ZINC001246598045 973011989 /nfs/dbraw/zinc/01/19/89/973011989.db2.gz ZLFBOEDMFGJAEX-MCIONIFRSA-N 2 0 239.407 1.589 20 0 BDADRP CC(C)(C)[NH2+]CCN1C[C@H]2CCC[C@@H](C1)C2O ZINC001328677094 973260384 /nfs/dbraw/zinc/26/03/84/973260384.db2.gz JSTSVRHXKDXZBU-FUNVUKJBSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@@H]1CN([C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)C[C@@H]1[NH3+] ZINC001246883540 973325664 /nfs/dbraw/zinc/32/56/64/973325664.db2.gz VXJWDGXXFKZOFJ-FVCCEPFGSA-N 2 0 239.407 1.432 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@@H](C)[C@H]1CCCO1 ZINC001329022578 973433447 /nfs/dbraw/zinc/43/34/47/973433447.db2.gz FUIGSHKGYDFYLE-OUAUKWLOSA-N 2 0 200.326 1.142 20 0 BDADRP CC(C)(C)[NH+]1CCC(N2CCC[C@H]([NH3+])C2)CC1 ZINC001256562197 970863567 /nfs/dbraw/zinc/86/35/67/970863567.db2.gz ZPJWFEWGLIOGPG-LBPRGKRZSA-N 2 0 239.407 1.672 20 0 BDADRP CC(C)[C@@H](CO)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC001256557296 970864090 /nfs/dbraw/zinc/86/40/90/970864090.db2.gz LRAPHWVDXJUVMR-CYBMUJFWSA-N 2 0 242.407 1.856 20 0 BDADRP C[N@H+]([C@H]1CCOC1)C1CC[NH+](C(C)(C)C)CC1 ZINC001256574159 970865467 /nfs/dbraw/zinc/86/54/67/970865467.db2.gz UZORNGPDDZTNMF-ZDUSSCGKSA-N 2 0 240.391 1.970 20 0 BDADRP C[C@@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@@H]1O ZINC001256624509 970890612 /nfs/dbraw/zinc/89/06/12/970890612.db2.gz YNYABJPYUYOPNU-YIPFDTCYSA-N 2 0 238.375 1.314 20 0 BDADRP FCC[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256678932 970918896 /nfs/dbraw/zinc/91/88/96/970918896.db2.gz VZBNPTQPGOTIDC-UHFFFAOYSA-N 2 0 230.327 1.189 20 0 BDADRP C[C@@H]1CC[N@@H+]1C1CCC([NH+]2CCOCC2)CC1 ZINC001256692296 970924114 /nfs/dbraw/zinc/92/41/14/970924114.db2.gz XJBRQFFNNVCZDO-IYXRBSQSSA-N 2 0 238.375 1.724 20 0 BDADRP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)CC(C)(C)[NH3+] ZINC001329569928 973832533 /nfs/dbraw/zinc/83/25/33/973832533.db2.gz PTYWYXBJWCHKNO-MNOVXSKESA-N 2 0 241.379 1.103 20 0 BDADRP C[NH+]1CCC(C[N@H+](CCO)CC(C)(C)C)CC1 ZINC000691536904 970992838 /nfs/dbraw/zinc/99/28/38/970992838.db2.gz SUIMEIHITCOFGT-UHFFFAOYSA-N 2 0 242.407 1.669 20 0 BDADRP CCC1CCC(NC(=[NH2+])NCCCC[NH3+])CC1 ZINC001256866346 971001286 /nfs/dbraw/zinc/00/12/86/971001286.db2.gz QQGUCUACAPTSHT-UHFFFAOYSA-N 2 0 240.395 1.808 20 0 BDADRP CCC[N@H+](CCC[NH3+])[C@H]1CC[C@@H](C(=O)OC)C1 ZINC001170503116 971001948 /nfs/dbraw/zinc/00/19/48/971001948.db2.gz COHBSQHVMRFINS-NEPJUHHUSA-N 2 0 242.363 1.389 20 0 BDADRP [NH3+][C@@H]1C[C@H]1N[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256900972 971011594 /nfs/dbraw/zinc/01/15/94/971011594.db2.gz DGSLOYKVYJRTOM-CYZMBNFOSA-N 2 0 223.364 1.083 20 0 BDADRP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](C3CCCC3)C2)cn1 ZINC001256894454 971015608 /nfs/dbraw/zinc/01/56/08/971015608.db2.gz KHTXMNVXOIABSJ-CQSZACIVSA-N 2 0 248.374 1.921 20 0 BDADRP [NH3+]Cc1cn([C@H]2CCC[N@@H+](C3CCCC3)C2)cn1 ZINC001256894453 971016238 /nfs/dbraw/zinc/01/62/38/971016238.db2.gz KHTXMNVXOIABSJ-AWEZNQCLSA-N 2 0 248.374 1.921 20 0 BDADRP CNc1cc(Nc2cc[nH+]cc2C)cc[nH+]1 ZINC001216331018 971039105 /nfs/dbraw/zinc/03/91/05/971039105.db2.gz IOPIPCDYJKYCEJ-UHFFFAOYSA-N 2 0 214.272 1.992 20 0 BDADRP C[N@@H+]1CCCC[C@H]1CO[C@H]1CCC[NH+](C)CC1 ZINC001224703170 973871932 /nfs/dbraw/zinc/87/19/32/973871932.db2.gz QUKZZFPQOUQZTK-KBPBESRZSA-N 2 0 240.391 1.972 20 0 BDADRP C[C@@H]1CC([NH2+][C@@H]2CCC[C@@H]2[NH3+])C[C@@H](C)O1 ZINC001257086114 971097641 /nfs/dbraw/zinc/09/76/41/971097641.db2.gz FGBUEJXNNDKFTP-PKZYVASSSA-N 2 0 212.337 1.412 20 0 BDADRP C[C@@H]1CC([NH2+]CCSCC[NH3+])C[C@@H](C)O1 ZINC001257083335 971097669 /nfs/dbraw/zinc/09/76/69/971097669.db2.gz GYAHSTLJJIDXFZ-NXEZZACHSA-N 2 0 232.393 1.224 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]CCSCC[NH3+])CC1 ZINC001257209913 971122736 /nfs/dbraw/zinc/12/27/36/971122736.db2.gz CLMAZIQKORJGMG-UHFFFAOYSA-N 3 0 245.436 1.141 20 0 BDADRP CC(C)[NH+]1CCC(n2ccnc2CC[NH3+])CC1 ZINC001257204548 971122861 /nfs/dbraw/zinc/12/28/61/971122861.db2.gz LKGHARCCBBHBAP-UHFFFAOYSA-N 2 0 236.363 1.430 20 0 BDADRP COCC(C)(C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC001257204460 971123253 /nfs/dbraw/zinc/12/32/53/971123253.db2.gz HLEKICZPDARXNN-UHFFFAOYSA-N 2 0 228.380 1.874 20 0 BDADRP CC(C)[NH+]1CCC(N2CCCC23COC3)CC1 ZINC001257215943 971132109 /nfs/dbraw/zinc/13/21/09/971132109.db2.gz AWGFHOJGTHTIRR-UHFFFAOYSA-N 2 0 238.375 1.724 20 0 BDADRP CCC[C@H](CC)[NH+]1CCN(CCC[NH3+])CC1 ZINC001257246944 971141328 /nfs/dbraw/zinc/14/13/28/971141328.db2.gz GVVNDJCBVDXPIA-ZDUSSCGKSA-N 2 0 227.396 1.532 20 0 BDADRP CCC[C@@H](CC)NC(=[NH2+])NCCCC[NH3+] ZINC001257246061 971141422 /nfs/dbraw/zinc/14/14/22/971141422.db2.gz AEHAKOWHWSPKRC-SNVBAGLBSA-N 2 0 214.357 1.418 20 0 BDADRP CCC[C@@H](CC)NC(=[NH2+])SCC[NH3+] ZINC001257247542 971143552 /nfs/dbraw/zinc/14/35/52/971143552.db2.gz XJCWYVYRTCGECA-MRVPVSSYSA-N 2 0 203.355 1.781 20 0 BDADRP Cc1ccc(C)c(N[C@H](C)[C@@H]2C[NH2+]CCO2)[nH+]1 ZINC001170563093 971190054 /nfs/dbraw/zinc/19/00/54/971190054.db2.gz KMABNKGZVPKKRB-NEPJUHHUSA-N 2 0 235.331 1.487 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(F)(F)CC1 ZINC000405050839 971190084 /nfs/dbraw/zinc/19/00/84/971190084.db2.gz HMDPCNWEWNZNSS-ZJUUUORDSA-N 2 0 218.291 1.573 20 0 BDADRP CCC(CC)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001257302550 971193526 /nfs/dbraw/zinc/19/35/26/971193526.db2.gz YFSXHWWRRWETLY-CQSZACIVSA-N 2 0 240.391 1.972 20 0 BDADRP C[C@H](Nc1cccn2c[nH+]cc12)[C@H]1C[NH2+]CCO1 ZINC001170569582 971203145 /nfs/dbraw/zinc/20/31/45/971203145.db2.gz JVMIPCWHCWNLOC-GXFFZTMASA-N 2 0 246.314 1.123 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405213352 971205572 /nfs/dbraw/zinc/20/55/72/971205572.db2.gz IXCQRJAPZNUZLH-GRYCIOLGSA-N 2 0 226.364 1.397 20 0 BDADRP CO[C@H](C)CC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405206941 971206251 /nfs/dbraw/zinc/20/62/51/971206251.db2.gz AUIXMMFPWVEJJQ-MXWKQRLJSA-N 2 0 212.337 1.271 20 0 BDADRP CC[NH+]1CCC(N[C@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000405236185 971215457 /nfs/dbraw/zinc/21/54/57/971215457.db2.gz SRQWWJCVZQWQBJ-STQMWFEESA-N 2 0 237.391 1.330 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405241211 971222822 /nfs/dbraw/zinc/22/28/22/971222822.db2.gz BDOKMRMSCOUXNY-GRYCIOLGSA-N 2 0 234.347 1.131 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CC2CCSCC2)C12CCC2 ZINC000405274689 971226193 /nfs/dbraw/zinc/22/61/93/971226193.db2.gz WLFZKPZXDKQQCI-NEPJUHHUSA-N 2 0 240.416 1.989 20 0 BDADRP CSCCCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405313911 971230632 /nfs/dbraw/zinc/23/06/32/971230632.db2.gz QGABHXONEULTPD-MNOVXSKESA-N 2 0 228.405 1.989 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CC2(CO)CCCC2)C12CCC2 ZINC000405339736 971235337 /nfs/dbraw/zinc/23/53/37/971235337.db2.gz HHQYPXIIKPWMKA-NEPJUHHUSA-N 2 0 238.375 1.399 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]CCCCF)C12CCC2 ZINC000405330196 971238892 /nfs/dbraw/zinc/23/88/92/971238892.db2.gz WLCNXEDVDRSOEX-VHSXEESVSA-N 2 0 200.301 1.596 20 0 BDADRP COCC1(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CCC1 ZINC000405359517 971242190 /nfs/dbraw/zinc/24/21/90/971242190.db2.gz SVGIBDMSEGFXJX-RYUDHWBXSA-N 2 0 238.375 1.663 20 0 BDADRP CC(C)CCOCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405343703 971243635 /nfs/dbraw/zinc/24/36/35/971243635.db2.gz JPQVVFLNGSOHEP-STQMWFEESA-N 2 0 240.391 1.909 20 0 BDADRP C[C@](O)(C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)C1CC1 ZINC000405376584 971246543 /nfs/dbraw/zinc/24/65/43/971246543.db2.gz BNXRSQTVNUZZGN-WOPDTQHZSA-N 2 0 224.348 1.007 20 0 BDADRP CCCCCC[C@H](CC)[NH2+]C[C@@H](O)C[NH3+] ZINC001170581608 971253143 /nfs/dbraw/zinc/25/31/43/971253143.db2.gz OONOUBVACZHFDL-RYUDHWBXSA-N 2 0 216.369 1.645 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CC2=CCOCC2)C12CCC2 ZINC000405411355 971255649 /nfs/dbraw/zinc/25/56/49/971255649.db2.gz ULAGDIOAHFKMQN-NEPJUHHUSA-N 2 0 222.332 1.193 20 0 BDADRP CC(C)[N@H+](C)CCN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405424663 971256680 /nfs/dbraw/zinc/25/66/80/971256680.db2.gz QOIUYZLAFRGPRN-NWDGAFQWSA-N 2 0 225.380 1.186 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)[C@@H](C)O1 ZINC000405445787 971261779 /nfs/dbraw/zinc/26/17/79/971261779.db2.gz WPJBZFWODPRMEK-LDMBFOFVSA-N 2 0 224.348 1.412 20 0 BDADRP CC(C)(C)C[C@H](CO)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405501186 971262859 /nfs/dbraw/zinc/26/28/59/971262859.db2.gz QXPGBZKFJSJMSU-WOPDTQHZSA-N 2 0 240.391 1.643 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H]2CO[C@H](C)[C@H]2C)CC1 ZINC000405539926 971271286 /nfs/dbraw/zinc/27/12/86/971271286.db2.gz JCERQXUREZWSTQ-YRGRVCCFSA-N 2 0 240.391 1.731 20 0 BDADRP CCCCOC(=O)CC[C@H](C)[NH2+]CCCC[NH3+] ZINC001257377699 971294837 /nfs/dbraw/zinc/29/48/37/971294837.db2.gz DLTMPDQPEDWXHN-LBPRGKRZSA-N 2 0 244.379 1.827 20 0 BDADRP COC(C)(C)CC[N@@H+]1CC[C@](C)([NH3+])C1 ZINC000405870982 971315268 /nfs/dbraw/zinc/31/52/68/971315268.db2.gz HVLIWFGCQSKVLA-NSHDSACASA-N 2 0 200.326 1.225 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC001329756241 971325461 /nfs/dbraw/zinc/32/54/61/971325461.db2.gz ZDIRJBKHEKPOLE-MCIONIFRSA-N 2 0 237.391 1.060 20 0 BDADRP c1cc2c(nc1NCC[C@H]1CCC[NH2+]1)CC[NH2+]C2 ZINC001158628786 971358107 /nfs/dbraw/zinc/35/81/07/971358107.db2.gz NRNWLVPKEFOPFI-GFCCVEGCSA-N 2 0 246.358 1.281 20 0 BDADRP Nc1[nH]c2ccc(N[C@@H]3CCC[C@H]([NH3+])C3)cc2[nH+]1 ZINC001170623197 971379064 /nfs/dbraw/zinc/37/90/64/971379064.db2.gz NMFSGXLCAPHURJ-DTWKUNHWSA-N 2 0 245.330 1.827 20 0 BDADRP C(CO[C@H]1CCCC[NH2+]C1)CC1CC[NH2+]CC1 ZINC001217773879 971398332 /nfs/dbraw/zinc/39/83/32/971398332.db2.gz RZNGVXJWYYRARC-AWEZNQCLSA-N 2 0 240.391 1.925 20 0 BDADRP C[C@H](OC[C@@H]1CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC001217779028 971400196 /nfs/dbraw/zinc/40/01/96/971400196.db2.gz QLCISSAAWBBFHF-NWDGAFQWSA-N 2 0 226.364 1.391 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1OCCC[C@@H]1CCC[NH2+]C1 ZINC001217788687 971407683 /nfs/dbraw/zinc/40/76/83/971407683.db2.gz KDHNOUFWCVQKLM-HZSPNIEDSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1OC[C@H]1CC[C@H]([NH3+])CC1 ZINC001217789864 971408249 /nfs/dbraw/zinc/40/82/49/971408249.db2.gz UEAXLTXMIMKLBI-FDYHWXHSSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@@H]1C[C@@H](OCCC[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001217790451 971408339 /nfs/dbraw/zinc/40/83/39/971408339.db2.gz KJDCZXSOGZKAFS-RDBSUJKOSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1OC[C@@H]1COC(C)(C)[NH2+]1 ZINC001217789682 971408430 /nfs/dbraw/zinc/40/84/30/971408430.db2.gz QCMCNUJRWMTNQR-UTUOFQBUSA-N 2 0 242.363 1.116 20 0 BDADRP C(O[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21)[C@@H]1CCC[NH2+]C1 ZINC001217813539 971416692 /nfs/dbraw/zinc/41/66/92/971416692.db2.gz CVCSHUVMZUVACZ-YIYPIFLZSA-N 2 0 238.375 1.391 20 0 BDADRP C[NH+](C)CCCCO[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001224992678 974124049 /nfs/dbraw/zinc/12/40/49/974124049.db2.gz RWGOLXDHUHWJER-BTTYYORXSA-N 2 0 240.391 1.970 20 0 BDADRP C(O[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCC[NH2+]C1 ZINC001217825229 971420063 /nfs/dbraw/zinc/42/00/63/971420063.db2.gz OZBSURWKHDSVOK-NDBYEHHHSA-N 2 0 224.348 1.286 20 0 BDADRP CCCCC[C@H](C)[NH+]1CCN(CCC[NH3+])CC1 ZINC001257502936 971423685 /nfs/dbraw/zinc/42/36/85/971423685.db2.gz ZFOXOVNHUMOHKX-AWEZNQCLSA-N 2 0 241.423 1.922 20 0 BDADRP C(CO[C@H]1CCC[NH2+]C1)C[C@@H]1CCC[NH2+]C1 ZINC001217860485 971451747 /nfs/dbraw/zinc/45/17/47/971451747.db2.gz NBNOEMUAMFAWAC-STQMWFEESA-N 2 0 226.364 1.535 20 0 BDADRP F[C@@H]1CC[NH2+]C[C@@H]1OCCCC1CC[NH2+]CC1 ZINC001217876839 971472483 /nfs/dbraw/zinc/47/24/83/971472483.db2.gz UACQUXOVILJRLR-OLZOCXBDSA-N 2 0 244.354 1.483 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]1OC[C@@H]1CCC[NH2+]C1 ZINC001217877694 971472938 /nfs/dbraw/zinc/47/29/38/971472938.db2.gz BKUWWGAMLODDNV-NEPJUHHUSA-N 2 0 226.364 1.391 20 0 BDADRP C[NH+]1CCC2(C[NH+]([C@@H]3CCCSC3)C2)CC1 ZINC001257680093 971487623 /nfs/dbraw/zinc/48/76/23/971487623.db2.gz IADXLXYXLAFQOH-GFCCVEGCSA-N 2 0 240.416 1.910 20 0 BDADRP C[C@H]1CC[C@@H](OCc2ccc(C[NH3+])cc2)C[NH2+]1 ZINC001217912542 971511601 /nfs/dbraw/zinc/51/16/01/971511601.db2.gz UYQXECWHOIFSIG-SMDDNHRTSA-N 2 0 234.343 1.802 20 0 BDADRP C(C[C@H]1CCC[NH2+]C1)O[C@@H]1C[NH2+]CCC12CC2 ZINC001217913497 971515509 /nfs/dbraw/zinc/51/55/09/971515509.db2.gz MRDDJFDBTXXSDT-CHWSQXEVSA-N 2 0 238.375 1.535 20 0 BDADRP C(CO[C@H]1[C@@H]2CC[C@H]1[NH2+]C2)C[C@H]1CCC[NH2+]C1 ZINC001217925237 971528704 /nfs/dbraw/zinc/52/87/04/971528704.db2.gz QJIGVQASKFCWDK-SYQHCUMBSA-N 2 0 238.375 1.533 20 0 BDADRP [NH3+]CCCCCCCO[C@@H]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001217934923 971537057 /nfs/dbraw/zinc/53/70/57/971537057.db2.gz AQOIEWHOXPAGRC-BFHYXJOUSA-N 2 0 240.391 1.910 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1OCC[C@@H]1CCC[NH2+]C1 ZINC001217939090 971538130 /nfs/dbraw/zinc/53/81/30/971538130.db2.gz KQINJMUXWQXEQG-AGIUHOORSA-N 2 0 226.364 1.391 20 0 BDADRP [NH3+]Cc1ccc(O[C@H]2CCC[NH2+]C[C@@H]2F)cc1 ZINC001217949758 971542319 /nfs/dbraw/zinc/54/23/19/971542319.db2.gz LZGXWOCXUZRKJF-STQMWFEESA-N 2 0 238.306 1.614 20 0 BDADRP C[NH2+][C@H]1C[C@H](Oc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C1 ZINC001217956475 971544054 /nfs/dbraw/zinc/54/40/54/971544054.db2.gz RIWZDMNGNKTDSP-DOERSZECSA-N 2 0 232.327 1.630 20 0 BDADRP C[NH2+][C@H]1C[C@@H](Oc2cccc3c2C[NH2+]C3)C1 ZINC001217957906 971545843 /nfs/dbraw/zinc/54/58/43/971545843.db2.gz WMJOEVCHRZSBAX-PHIMTYICSA-N 2 0 218.300 1.419 20 0 BDADRP [NH3+]Cc1ccc(O[C@H]2C[NH2+]CC[C@@H]2F)cc1 ZINC001217960319 971548955 /nfs/dbraw/zinc/54/89/55/971548955.db2.gz YKKPQBGKJZHHQL-RYUDHWBXSA-N 2 0 224.279 1.224 20 0 BDADRP CC(C)C[NH+]1CCC([NH2+][C@@H](CO)C2CC2)CC1 ZINC001258005947 971551585 /nfs/dbraw/zinc/55/15/85/971551585.db2.gz YGTKLZXAUQPHAP-AWEZNQCLSA-N 2 0 240.391 1.467 20 0 BDADRP CC(C)C[NH+]1CCC(N2CC(C)([NH3+])C2)CC1 ZINC001258007822 971554544 /nfs/dbraw/zinc/55/45/44/971554544.db2.gz VAAGKTBECRVNPG-UHFFFAOYSA-N 2 0 225.380 1.140 20 0 BDADRP CC(C)C[NH+]1CCC(n2cc(C[NH3+])cn2)CC1 ZINC001258002988 971552607 /nfs/dbraw/zinc/55/26/07/971552607.db2.gz SEPGOAKJYDNMIB-UHFFFAOYSA-N 2 0 236.363 1.635 20 0 BDADRP CC(C)C[NH+]1CCC([NH2+]C2(CO)CCC2)CC1 ZINC001258004877 971554662 /nfs/dbraw/zinc/55/46/62/971554662.db2.gz KMBMUXGKRRYPBK-UHFFFAOYSA-N 2 0 240.391 1.611 20 0 BDADRP CC(C)C[NH+]1CCC(n2cncc2C[NH3+])CC1 ZINC001258001092 971553083 /nfs/dbraw/zinc/55/30/83/971553083.db2.gz ASWMQGBAIZKJAF-UHFFFAOYSA-N 2 0 236.363 1.635 20 0 BDADRP CC(C)C[NH+]1CCC([N@@H+]2CC[C@@](C)(O)C2)CC1 ZINC001258013444 971555167 /nfs/dbraw/zinc/55/51/67/971555167.db2.gz RBYBDFQHJIUQPU-CQSZACIVSA-N 2 0 240.391 1.564 20 0 BDADRP c1cc2c(cc1O[C@H]1CCC[NH2+]CC1)CC[NH2+]C2 ZINC001217997232 971563843 /nfs/dbraw/zinc/56/38/43/971563843.db2.gz ZBTMQIMJAKSZEV-AWEZNQCLSA-N 2 0 246.354 1.853 20 0 BDADRP C[C@@H](Oc1ccc(C[NH3+])cc1)C1CC[NH2+]CC1 ZINC001218008728 971568098 /nfs/dbraw/zinc/56/80/98/971568098.db2.gz HXSRKZFCHHXHHP-LLVKDONJSA-N 2 0 234.343 1.912 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1Oc1ccc2c(c1)CC[NH2+]C2 ZINC001218035080 971579337 /nfs/dbraw/zinc/57/93/37/971579337.db2.gz UPYIGMBMCSTITO-QMTHXVAHSA-N 2 0 232.327 1.319 20 0 BDADRP C[C@@H]1C[C@@H](Oc2ccc3c(c2)C[NH2+]C3)C[NH2+]1 ZINC001218039401 971584793 /nfs/dbraw/zinc/58/47/93/971584793.db2.gz KGUMJFNAWQRCNW-NOZJJQNGSA-N 2 0 218.300 1.419 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1Oc1ccc2c(c1)CC[NH2+]C2 ZINC001218047614 971589312 /nfs/dbraw/zinc/58/93/12/971589312.db2.gz WJLQHFBOMWLOGB-IAQYHMDHSA-N 2 0 246.354 1.709 20 0 BDADRP C[C@@H]1C[C@H](Oc2ccc(CC[NH3+])cc2)CC[NH2+]1 ZINC001218051145 971590772 /nfs/dbraw/zinc/59/07/72/971590772.db2.gz UWXIEOBAVLAHMB-BXUZGUMPSA-N 2 0 234.343 1.707 20 0 BDADRP [NH3+]Cc1cccc(O[C@@H]2CCO[C@]23CC[NH2+]C3)c1 ZINC001218139496 971604215 /nfs/dbraw/zinc/60/42/15/971604215.db2.gz VYXNZQQKVZUQRT-KGLIPLIRSA-N 2 0 248.326 1.045 20 0 BDADRP [NH3+]Cc1cccc(O[C@H]2CC[C@@]23CC[NH2+]C3)c1 ZINC001218120030 971604526 /nfs/dbraw/zinc/60/45/26/971604526.db2.gz SALBOIZSHVAOTO-KBPBESRZSA-N 2 0 232.327 1.666 20 0 BDADRP [NH3+]Cc1cccc(O[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC001218145247 971606251 /nfs/dbraw/zinc/60/62/51/971606251.db2.gz NTHKCDRPQFFQMA-VHDGCEQUSA-N 2 0 246.354 1.912 20 0 BDADRP C[C@H](Oc1cccc(C[NH3+])c1)C1C[NH2+]C1 ZINC001218198647 971621984 /nfs/dbraw/zinc/62/19/84/971621984.db2.gz OLBCKDVDBDLONN-VIFPVBQESA-N 2 0 206.289 1.132 20 0 BDADRP c1cc2c(c(O[C@@H]3CCC34C[NH2+]C4)c1)C[NH2+]C2 ZINC001218243010 971650648 /nfs/dbraw/zinc/65/06/48/971650648.db2.gz VQSNKLQZLYBPPN-CYBMUJFWSA-N 2 0 230.311 1.421 20 0 BDADRP Cc1c(O[C@@H]2C[NH2+][C@@H]2C)ccc2c1CC[NH2+]C2 ZINC001218382328 971760848 /nfs/dbraw/zinc/76/08/48/971760848.db2.gz AUQVIGZALOLWJI-QMTHXVAHSA-N 2 0 232.327 1.380 20 0 BDADRP C[C@@H]1CC[C@@H](Oc2ccc(CC[NH3+])cc2)C[NH2+]1 ZINC001218394372 971773231 /nfs/dbraw/zinc/77/32/31/971773231.db2.gz QWLSPQOYYLDMOD-BXUZGUMPSA-N 2 0 234.343 1.707 20 0 BDADRP C[C@H]1C[NH2+]CC[C@@H]1Oc1cccc2c1C[NH2+]C2 ZINC001218411753 971783225 /nfs/dbraw/zinc/78/32/25/971783225.db2.gz AOTMHAZXUDSFJM-GWCFXTLKSA-N 2 0 232.327 1.667 20 0 BDADRP C[C@H](C[NH+]1CCC(F)(C[NH3+])CC1)C(F)(F)F ZINC001222527147 972541942 /nfs/dbraw/zinc/54/19/42/972541942.db2.gz JIDDGUIUVZQDFU-MRVPVSSYSA-N 2 0 242.260 1.948 20 0 BDADRP CC[C@@]([NH3+])(CO)Nc1cccc2c1CC[C@@H]2[NH3+] ZINC001170866785 972001436 /nfs/dbraw/zinc/00/14/36/972001436.db2.gz YXGWHYKHJXRIPF-AAEUAGOBSA-N 2 0 235.331 1.102 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1C(=O)Nc1ccc(C[NH3+])cc1 ZINC001219345499 972004162 /nfs/dbraw/zinc/00/41/62/972004162.db2.gz QOKOZCFQXZTQTI-ZWNOBZJWSA-N 2 0 247.342 1.329 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)N=NC2 ZINC001219414446 972009073 /nfs/dbraw/zinc/00/90/73/972009073.db2.gz AIHYBTRPNAVRJK-SNVBAGLBSA-N 2 0 247.302 1.289 20 0 BDADRP CC[C@@H](C)OCC[C@H](C)[NH2+]CCN(C)CC[NH3+] ZINC001172344719 974614747 /nfs/dbraw/zinc/61/47/47/974614747.db2.gz UTJMUNCIJACYQY-QWHCGFSZSA-N 2 0 245.411 1.060 20 0 BDADRP C[C@H]1CC[C@H](NC(=O)c2ccccc2C[NH3+])C[NH2+]1 ZINC001219592183 972044221 /nfs/dbraw/zinc/04/42/21/972044221.db2.gz QALXNOMKAQSCCJ-JQWIXIFHSA-N 2 0 247.342 1.016 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1nccc2ccncc21 ZINC001170893724 972047928 /nfs/dbraw/zinc/04/79/28/972047928.db2.gz DKUZCEAQXFAMBP-NSHDSACASA-N 2 0 231.303 1.065 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1cnc2cc(F)ccc2n1 ZINC001170893938 972048251 /nfs/dbraw/zinc/04/82/51/972048251.db2.gz DSZCKKURDUUDDS-LLVKDONJSA-N 2 0 249.293 1.205 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ncccc1-n1cccc1 ZINC001170897814 972056339 /nfs/dbraw/zinc/05/63/39/972056339.db2.gz KLNVHOVLQFJQJL-LBPRGKRZSA-N 2 0 245.330 1.308 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1cc(-c2ccco2)ncn1 ZINC001170898783 972058001 /nfs/dbraw/zinc/05/80/01/972058001.db2.gz WDCFRJYHBOCIBE-LLVKDONJSA-N 2 0 247.302 1.172 20 0 BDADRP CC(C)Oc1ccc(N[C@H]([NH3+])CCC[NH3+])nc1 ZINC001170899597 972059190 /nfs/dbraw/zinc/05/91/90/972059190.db2.gz XIXQBKCSXYBOPH-NSHDSACASA-N 2 0 238.335 1.304 20 0 BDADRP CCc1ccc(N[C@@H]([NH3+])CCC[NH3+])nc1 ZINC001170901112 972068701 /nfs/dbraw/zinc/06/87/01/972068701.db2.gz WPKHRSFAVNRYLA-SNVBAGLBSA-N 2 0 208.309 1.080 20 0 BDADRP C[C@H]([NH3+])c1ccc(N[C@H]([NH3+])CCC[NH3+])cc1 ZINC001170900448 972063940 /nfs/dbraw/zinc/06/39/40/972063940.db2.gz LJENWUIYJSNAOR-CABZTGNLSA-N 3 0 222.336 1.142 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccccc1-c1ncc[nH]1 ZINC001170900064 972065006 /nfs/dbraw/zinc/06/50/06/972065006.db2.gz HVOKFVLYVUUOFX-LBPRGKRZSA-N 2 0 245.330 1.512 20 0 BDADRP COCc1ccc(N[C@@H]([NH3+])CCC[NH3+])cc1 ZINC001170900995 972068185 /nfs/dbraw/zinc/06/81/85/972068185.db2.gz SRWFGMSNJYMIMX-GFCCVEGCSA-N 2 0 223.320 1.269 20 0 BDADRP CC(C)(C)c1ncc(N[C@@H]([NH3+])CCC[NH3+])cn1 ZINC001170900716 972069114 /nfs/dbraw/zinc/06/91/14/972069114.db2.gz OYFKANSNRQCYCF-SNVBAGLBSA-N 2 0 237.351 1.210 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1cnc2[nH]cc(F)c2c1 ZINC001170900705 972069550 /nfs/dbraw/zinc/06/95/50/972069550.db2.gz OVFUXXGKQKSOHA-JTQLQIEISA-N 2 0 237.282 1.138 20 0 BDADRP Cc1cc(N[C@@H]([NH3+])CCC[NH3+])cc2cccnc12 ZINC001170901055 972069749 /nfs/dbraw/zinc/06/97/49/972069749.db2.gz VDIFGRXLCJURDT-CYBMUJFWSA-N 2 0 244.342 1.979 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1cccc2c1OCC2 ZINC001170900718 972071184 /nfs/dbraw/zinc/07/11/84/972071184.db2.gz OZEAAIUZZXAIOS-NSHDSACASA-N 2 0 221.304 1.057 20 0 BDADRP Cc1cc(N[C@H]([NH3+])CCC[NH3+])cc2cc[nH]c21 ZINC001170902529 972078344 /nfs/dbraw/zinc/07/83/44/972078344.db2.gz FLHRLXMIKGKHDQ-LBPRGKRZSA-N 2 0 232.331 1.912 20 0 BDADRP C=CC(=O)Oc1ccc(N[C@H]([NH3+])CCC[NH3+])cc1 ZINC001170904777 972080267 /nfs/dbraw/zinc/08/02/67/972080267.db2.gz PAIXWRCDOLSCSW-LBPRGKRZSA-N 2 0 249.314 1.214 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1nccc2ncccc21 ZINC001159779767 972107779 /nfs/dbraw/zinc/10/77/79/972107779.db2.gz KBYJNIHVITXFFA-LLVKDONJSA-N 2 0 231.303 1.065 20 0 BDADRP C[C@H]([NH3+])CC[NH2+]C[C@@H](O)c1ccccc1 ZINC001245990737 972111703 /nfs/dbraw/zinc/11/17/03/972111703.db2.gz AOMIJOVFCUQXMW-CMPLNLGQSA-N 2 0 208.305 1.047 20 0 BDADRP [NH3+]C1(CN[C@@H]2CC3CC[NH+](CC3)C2)CCCC1 ZINC001246086020 972139162 /nfs/dbraw/zinc/13/91/62/972139162.db2.gz VCHACHLXJPFANF-CYBMUJFWSA-N 2 0 237.391 1.332 20 0 BDADRP C1C[C@]2(C[NH2+]1)CCC[C@@H]([NH2+]C1CC[NH2+]CC1)C2 ZINC001246082084 972136879 /nfs/dbraw/zinc/13/68/79/972136879.db2.gz VWUPPSXLDGSTKL-ZIAGYGMSSA-N 3 0 237.391 1.250 20 0 BDADRP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@](C)(O)CC2)CC[NH2+]1 ZINC001246090449 972144429 /nfs/dbraw/zinc/14/44/29/972144429.db2.gz XPKSUJGPKJSMNU-RVMXOQNASA-N 2 0 226.364 1.410 20 0 BDADRP C[C@@H]1C[NH2+]CCC[C@@H]1C[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246095438 972149500 /nfs/dbraw/zinc/14/95/00/972149500.db2.gz IQDCYFTTZIHGPY-MCIONIFRSA-N 3 0 239.407 1.354 20 0 BDADRP CSCC[C@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H](C)C1 ZINC001246097895 972152997 /nfs/dbraw/zinc/15/29/97/972152997.db2.gz INQSVYXRALCKPL-WOPDTQHZSA-N 2 0 230.421 1.963 20 0 BDADRP CCCCC[C@H]([NH2+]C)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001220151756 972165487 /nfs/dbraw/zinc/16/54/87/972165487.db2.gz GIOVDXSZFKMQPH-TUAOUCFPSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@H](Cc1ccccn1)[NH2+]C[C@@H]1C[NH2+]CC[C@H]1C ZINC001246108601 972172326 /nfs/dbraw/zinc/17/23/26/972172326.db2.gz CNXWMXYSVDHHTH-MCIONIFRSA-N 2 0 247.386 1.848 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+][C@H]2C)CCO1 ZINC001246108993 972172069 /nfs/dbraw/zinc/17/20/69/972172069.db2.gz IYKJCQZMVROWDN-ZDEQEGDKSA-N 2 0 226.364 1.532 20 0 BDADRP [NH3+]C1CC([NH2+][C@H]2CCc3cccc(F)c3C2)C1 ZINC001170961208 972168562 /nfs/dbraw/zinc/16/85/62/972168562.db2.gz OFXGOQWLHMZZNM-CXQJBGSLSA-N 2 0 234.318 1.762 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+][C@H]2C)CCO1 ZINC001246108975 972173297 /nfs/dbraw/zinc/17/32/97/972173297.db2.gz IYKJCQZMVROWDN-MROQNXINSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+]C2CCSCC2)[NH2+]C1 ZINC001246110169 972174612 /nfs/dbraw/zinc/17/46/12/972174612.db2.gz HLLOJDCNLCWBAW-PWSUYJOCSA-N 2 0 228.405 1.860 20 0 BDADRP C[NH2+]CCCN[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246111428 972175331 /nfs/dbraw/zinc/17/53/31/972175331.db2.gz JCLDKFLCKCCMSA-ZDUSSCGKSA-N 2 0 239.407 1.640 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCc2cccc(F)c2C1 ZINC001170968341 972182981 /nfs/dbraw/zinc/18/29/81/972182981.db2.gz DLHFOHMKCFZULX-ZYHUDNBSSA-N 2 0 236.334 1.867 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C23CCC([NH3+])(CC2)CC3)CN1 ZINC001246164185 972200857 /nfs/dbraw/zinc/20/08/57/972200857.db2.gz UBHLVQDFVPUIOQ-KBHBFKLGSA-N 2 0 237.391 1.521 20 0 BDADRP C[C@H]1C[C@@H](NCC[NH2+]Cc2ccccc2)C[NH2+]1 ZINC001246167618 972203863 /nfs/dbraw/zinc/20/38/63/972203863.db2.gz CRIHHABKZDYYAL-GXTWGEPZSA-N 2 0 233.359 1.116 20 0 BDADRP CCCC[C@H]1C[C@H](NC[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC001246190778 972211931 /nfs/dbraw/zinc/21/19/31/972211931.db2.gz MQMKGKSHLDHIQY-MJBXVCDLSA-N 2 0 239.407 1.639 20 0 BDADRP CC[C@H]1C[C@@H](N[C@@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246206174 972216845 /nfs/dbraw/zinc/21/68/45/972216845.db2.gz XXFJKOCBXUDCGJ-XQHKEYJVSA-N 2 0 225.380 1.377 20 0 BDADRP C[NH2+]CC[C@H](C)[NH2+]C[C@@]1(C)CCNCC1(F)F ZINC001246218732 972220163 /nfs/dbraw/zinc/22/01/63/972220163.db2.gz CMFQOIQFACYHFI-WDEREUQCSA-N 2 0 249.349 1.209 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2COC(C)(C)C2)CC1 ZINC000396497718 956889367 /nfs/dbraw/zinc/88/93/67/956889367.db2.gz OZROOOKYRNNQMJ-VXGBXAGGSA-N 2 0 226.364 1.628 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC001246223691 972232565 /nfs/dbraw/zinc/23/25/65/972232565.db2.gz UPWIWZKKMSGTJM-PDWCTOEPSA-N 3 0 237.391 1.247 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC001246223693 972234167 /nfs/dbraw/zinc/23/41/67/972234167.db2.gz UPWIWZKKMSGTJM-RGDJUOJXSA-N 3 0 237.391 1.247 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cccc3c2OCC3)C1 ZINC000692963581 957105928 /nfs/dbraw/zinc/10/59/28/957105928.db2.gz DXZCGIIPCNHJJG-ZIAGYGMSSA-N 2 0 246.354 1.981 20 0 BDADRP CC(C)C([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C(C)C ZINC001246235551 972242279 /nfs/dbraw/zinc/24/22/79/972242279.db2.gz IBVGSOPIAHEDTO-GFCCVEGCSA-N 2 0 239.407 1.351 20 0 BDADRP C[NH2+]CC[C@H](C)NCC[C@@H]1CCCC[NH2+]1 ZINC001246243363 972249919 /nfs/dbraw/zinc/24/99/19/972249919.db2.gz IAHBIIZGOFBDTO-RYUDHWBXSA-N 2 0 213.369 1.106 20 0 BDADRP C[NH+]1CC2(CN(CCC[NH+]3CCCCC3)C2)C1 ZINC001209453483 957478647 /nfs/dbraw/zinc/47/86/47/957478647.db2.gz JJTVDVKJRLZYPR-UHFFFAOYSA-N 2 0 237.391 1.110 20 0 BDADRP COC(=O)[C@H]1CCC[C@@H]([NH2+]CC[C@H](C)[NH3+])C1 ZINC001246307613 972269480 /nfs/dbraw/zinc/26/94/80/972269480.db2.gz ZJOFHXHOAPFIBB-GARJFASQSA-N 2 0 228.336 1.045 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2COCC2(C)C)C1 ZINC000693025893 957512493 /nfs/dbraw/zinc/51/24/93/957512493.db2.gz GEOMFLJSCXFHQK-OLZOCXBDSA-N 2 0 240.391 1.733 20 0 BDADRP CSC1(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000382186770 957577567 /nfs/dbraw/zinc/57/75/67/957577567.db2.gz HCMUZKZWKFRDNL-NGDQXYMTSA-N 2 0 238.400 1.468 20 0 BDADRP C[NH2+]CC[C@H](C)[NH2+][C@@H]1CNc2ccccc2C1 ZINC001246316999 972277682 /nfs/dbraw/zinc/27/76/82/972277682.db2.gz PYMDMUGMNPJLNZ-AAEUAGOBSA-N 2 0 233.359 1.611 20 0 BDADRP Cc1ccc(C)c(N[C@H]2CC[N@@H+](C)C2)n1 ZINC001167270193 957612281 /nfs/dbraw/zinc/61/22/81/957612281.db2.gz NAKHSBKLBQKWTO-NSHDSACASA-N 2 0 205.305 1.814 20 0 BDADRP C[C@@H]1C[C@@H](N[C@@H]2C[NH2+]CCC2(C)C)C[C@H](C)[NH2+]1 ZINC001246324416 972286390 /nfs/dbraw/zinc/28/63/90/972286390.db2.gz DZJMOBGSOIBBEY-YVECIDJPSA-N 2 0 239.407 1.493 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246332448 972294924 /nfs/dbraw/zinc/29/49/24/972294924.db2.gz MEURBARZADFRCS-JHJVBQTASA-N 2 0 241.423 1.726 20 0 BDADRP CCCC[C@H]1C[C@@H](N[C@H]2C[NH2+][C@H](C)C2)CC[NH2+]1 ZINC001246367117 972303596 /nfs/dbraw/zinc/30/35/96/972303596.db2.gz YUEVETRSPXGPIY-ZOBORPQBSA-N 2 0 239.407 1.637 20 0 BDADRP CCc1cc(N[C@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC000307775670 958203982 /nfs/dbraw/zinc/20/39/82/958203982.db2.gz SOMVMVNEAWUSHF-LBPRGKRZSA-N 2 0 205.305 1.760 20 0 BDADRP CCCC(C[NH3+])(CCC)NC(=O)C[NH2+]C(C)C ZINC001221371667 972330147 /nfs/dbraw/zinc/33/01/47/972330147.db2.gz HIQFFDSSBBUPHG-UHFFFAOYSA-N 2 0 243.395 1.398 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@H]([NH+](C)C)CC2)CN1 ZINC001246461471 972336007 /nfs/dbraw/zinc/33/60/07/972336007.db2.gz JMBXTSXPNYXUMW-MQYQWHSLSA-N 2 0 239.407 1.589 20 0 BDADRP C[C@@H]1C[C@@H](N[C@@]2(C)CCC[N@H+](C)C2)CC[NH2+]1 ZINC001246461945 972336313 /nfs/dbraw/zinc/33/63/13/972336313.db2.gz QNHICDIDRGYEMA-AGIUHOORSA-N 2 0 225.380 1.201 20 0 BDADRP CCCCCC[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222079616 972360159 /nfs/dbraw/zinc/36/01/59/972360159.db2.gz CNJBHWPCXMZDIB-UHFFFAOYSA-N 2 0 239.407 1.594 20 0 BDADRP CC(C)(C)C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222079912 972361812 /nfs/dbraw/zinc/36/18/12/972361812.db2.gz GMQMQQMLNDXSDP-UHFFFAOYSA-N 2 0 225.380 1.060 20 0 BDADRP C[NH+]1CCC(N[C@H](C[NH3+])c2ccccc2)CC1 ZINC001246508785 972370716 /nfs/dbraw/zinc/37/07/16/972370716.db2.gz ZPDJBAJYTFRESK-CQSZACIVSA-N 2 0 233.359 1.370 20 0 BDADRP CC(C)(C)[C@H]1C[C@H](N2CCC[NH2+]CC2)CC[NH2+]1 ZINC001246522868 972377035 /nfs/dbraw/zinc/37/70/35/972377035.db2.gz HFXVKUKHMIEFIP-CHWSQXEVSA-N 2 0 239.407 1.448 20 0 BDADRP C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C[C@H]1CCCOC1 ZINC000693578400 958868422 /nfs/dbraw/zinc/86/84/22/958868422.db2.gz LIGLQLLNRNDLOL-UTUOFQBUSA-N 2 0 212.337 1.082 20 0 BDADRP [NH3+]CCCCC[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222237721 972418998 /nfs/dbraw/zinc/41/89/98/972418998.db2.gz QWAAYVBNHVNDQM-ZDUSSCGKSA-N 3 0 225.380 1.333 20 0 BDADRP Oc1cnccc1CN1CCC[C@@]12CCC[NH2+]C2 ZINC001222244150 972419847 /nfs/dbraw/zinc/41/98/47/972419847.db2.gz UKVFCOQLRMFCNM-CQSZACIVSA-N 2 0 247.342 1.505 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2cccnc2)C12CCC2 ZINC000405250065 959424614 /nfs/dbraw/zinc/42/46/14/959424614.db2.gz JFTDRQJUXIFGKN-CHWSQXEVSA-N 2 0 231.343 1.484 20 0 BDADRP CC[NH2+]CCN1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222259114 972428710 /nfs/dbraw/zinc/42/87/10/972428710.db2.gz KNQCKECFLBECCE-CYBMUJFWSA-N 2 0 225.380 1.062 20 0 BDADRP CSC[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405327636 959438165 /nfs/dbraw/zinc/43/81/65/959438165.db2.gz VBSHWMXPAUYSSD-AEJSXWLSSA-N 2 0 214.378 1.597 20 0 BDADRP Cc1ncc(C[N@H+](C)CC2CC[NH+](C)CC2)[nH]1 ZINC000724777811 959443178 /nfs/dbraw/zinc/44/31/78/959443178.db2.gz IBAVOVVSNQBGHP-UHFFFAOYSA-N 2 0 236.363 1.492 20 0 BDADRP C[NH2+][C@H]1C[C@@H](OCCC[C@H]2CCC[NH2+]C2)C1 ZINC001217767051 959579887 /nfs/dbraw/zinc/57/98/87/959579887.db2.gz IXLMZOJHJLPXCG-UPJWGTAASA-N 2 0 226.364 1.533 20 0 BDADRP C([C@H]1CCCC[NH2+]1)N1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222344784 972440782 /nfs/dbraw/zinc/44/07/82/972440782.db2.gz CDJAKKDLALRDKH-ZIAGYGMSSA-N 2 0 237.391 1.347 20 0 BDADRP C(OC1[C@@H]2CCC[C@H]1C[NH2+]C2)[C@H]1CCC[NH2+]C1 ZINC001217811085 959618760 /nfs/dbraw/zinc/61/87/60/959618760.db2.gz ZYBUVUWSJRYHES-ICIURTGMSA-N 2 0 238.375 1.391 20 0 BDADRP CC[C@@H]([NH3+])CN1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385528 972450674 /nfs/dbraw/zinc/45/06/74/972450674.db2.gz PMJSKOLNYSRAOJ-OLZOCXBDSA-N 2 0 225.380 1.332 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1Oc1cccc(C[NH3+])c1 ZINC001218031857 959838281 /nfs/dbraw/zinc/83/82/81/959838281.db2.gz UEMMBXSUUYTEQK-RISCZKNCSA-N 2 0 234.343 1.912 20 0 BDADRP c1cc2c(cn1)C[N@H+](CC1CC[NH2+]CC1)CC2 ZINC001207438040 960095409 /nfs/dbraw/zinc/09/54/09/960095409.db2.gz RZJUIVCAXCPYIZ-UHFFFAOYSA-N 2 0 231.343 1.439 20 0 BDADRP C[C@@H]1c2cccn2CC[N@H+]1CC1CC[NH2+]CC1 ZINC001207439052 960099288 /nfs/dbraw/zinc/09/92/88/960099288.db2.gz JJBMCHZZEGMHRF-GFCCVEGCSA-N 2 0 233.359 1.864 20 0 BDADRP O=C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CC[NH2+]CC1 ZINC001207439674 960103630 /nfs/dbraw/zinc/10/36/30/960103630.db2.gz ZABFEAVYPKXHAJ-BETUJISGSA-N 2 0 236.359 1.572 20 0 BDADRP Cc1ccc(CNC(C[NH3+])C[NH3+])c(Cl)c1 ZINC000695309224 960196010 /nfs/dbraw/zinc/19/60/10/960196010.db2.gz BEDLDPFXFDNIMA-UHFFFAOYSA-N 2 0 227.739 1.024 20 0 BDADRP C[NH2+]CCNc1cc[nH+]c(N2CCCCC2)c1 ZINC001167724111 960236391 /nfs/dbraw/zinc/23/63/91/960236391.db2.gz HVDJEUIZYUSRFV-UHFFFAOYSA-N 2 0 234.347 1.703 20 0 BDADRP C[NH2+]CCNc1ccc(C)cc1C[NH+](C)C ZINC001167725757 960246597 /nfs/dbraw/zinc/24/65/97/960246597.db2.gz JIFOYKFHALJLTI-UHFFFAOYSA-N 2 0 221.348 1.688 20 0 BDADRP CC=C(NC=[NH2+])c1cnn(CC[NH+]2CCCC2)c1 ZINC001222455709 972495123 /nfs/dbraw/zinc/49/51/23/972495123.db2.gz FNHNKBLBYKYFDY-SILLCRNTSA-N 2 0 247.346 1.536 20 0 BDADRP C[C@@H]1CCCC[N@@H+]1CCN[C@@H]1CCC[NH2+][C@H]1C ZINC000925549970 960324802 /nfs/dbraw/zinc/32/48/02/960324802.db2.gz JYNBHWZWBURKAV-HZSPNIEDSA-N 2 0 239.407 1.591 20 0 BDADRP C[NH+]1CCC(CC[NH+]2CC(C)(CO)C2)CC1 ZINC001207479427 960353933 /nfs/dbraw/zinc/35/39/33/960353933.db2.gz IQGVSMGRXLLACU-UHFFFAOYSA-N 2 0 226.364 1.033 20 0 BDADRP COCC1([NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925603498 960436918 /nfs/dbraw/zinc/43/69/18/960436918.db2.gz NQWPUYHMGKSGHV-MNOVXSKESA-N 2 0 226.364 1.661 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@H](C)C2)CC[NH2+]1 ZINC000709265344 960463576 /nfs/dbraw/zinc/46/35/76/960463576.db2.gz MGJWVRZSRZLTNS-KKOKHZNYSA-N 2 0 212.337 1.284 20 0 BDADRP [NH3+]CC1CC[NH+](C2CCC3(C[NH2+]C3)CC2)CC1 ZINC001246537737 972511675 /nfs/dbraw/zinc/51/16/75/972511675.db2.gz KOUBFMLYCKTWOC-UHFFFAOYSA-N 3 0 237.391 1.189 20 0 BDADRP C[C@@H]1CC[C@@H](O)C[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709280096 960468137 /nfs/dbraw/zinc/46/81/37/960468137.db2.gz FAQVOHFPDQFLJW-OCIKQUFWSA-N 2 0 224.348 1.115 20 0 BDADRP C[C@H]1OCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709388525 960555283 /nfs/dbraw/zinc/55/52/83/960555283.db2.gz FLOLBVMTRKLTFV-UCEQBCCISA-N 2 0 224.348 1.284 20 0 BDADRP CC[C@H](C)C[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222491432 972514734 /nfs/dbraw/zinc/51/47/34/972514734.db2.gz AUHZYXGEFJAERY-AVGNSLFASA-N 2 0 225.380 1.058 20 0 BDADRP CC(C)CC[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222492188 972515049 /nfs/dbraw/zinc/51/50/49/972515049.db2.gz QCIKLNCQIWNFTR-STQMWFEESA-N 2 0 225.380 1.058 20 0 BDADRP CCCOCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709403342 960581259 /nfs/dbraw/zinc/58/12/59/960581259.db2.gz GLAJANPVLWEFJF-FUNVUKJBSA-N 2 0 226.364 1.676 20 0 BDADRP OCc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000709415244 960586375 /nfs/dbraw/zinc/58/63/75/960586375.db2.gz KBJRMRVZZZVYOF-YIONKMFJSA-N 2 0 246.354 1.552 20 0 BDADRP C[C@@H]1C[C@H]([N@H+]2C[C@@H]3[C@H](C2)C3(C)C)CC[NH2+]1 ZINC000709448246 960613199 /nfs/dbraw/zinc/61/31/99/960613199.db2.gz LCVDBZASSXOCLA-KKOKHZNYSA-N 2 0 208.349 1.715 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@H](CO)CC2)CC[NH2+]1 ZINC000709467563 960615572 /nfs/dbraw/zinc/61/55/72/960615572.db2.gz UOZFVKAPBBTGBR-FRRDWIJNSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@]1(O)CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000709473738 960618651 /nfs/dbraw/zinc/61/86/51/960618651.db2.gz GCPIQJQQTLAZIQ-PIGZVRMJSA-N 2 0 238.375 1.506 20 0 BDADRP CCSC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C)C1 ZINC000709481642 960620814 /nfs/dbraw/zinc/62/08/14/960620814.db2.gz HRGFIPQUGJZTIU-MNOVXSKESA-N 2 0 216.394 1.669 20 0 BDADRP CSCC[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C)C1 ZINC000709482737 960621668 /nfs/dbraw/zinc/62/16/68/960621668.db2.gz MIEGQKFOQJBKHW-GHMZBOCLSA-N 2 0 216.394 1.669 20 0 BDADRP C[N@@H+]1CCCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709486737 960623159 /nfs/dbraw/zinc/62/31/59/960623159.db2.gz GNDGUXYPGXAQHD-PIGZVRMJSA-N 2 0 237.391 1.343 20 0 BDADRP C[N@@H+]1CCC[C@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000709496059 960625278 /nfs/dbraw/zinc/62/52/78/960625278.db2.gz WZGARKBSEVNMSJ-HABKJSAYSA-N 2 0 237.391 1.201 20 0 BDADRP Cn1cccc1C[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222531229 960680996 /nfs/dbraw/zinc/68/09/96/960680996.db2.gz AAPHDWHRGOEZFS-UHFFFAOYSA-N 2 0 225.311 1.288 20 0 BDADRP CC[N@H+](C)Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140968030 960775365 /nfs/dbraw/zinc/77/53/65/960775365.db2.gz FKPCUZXGBXCLRD-UHFFFAOYSA-N 2 0 247.386 1.890 20 0 BDADRP COC(C)(C)CC[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000300054063 960894231 /nfs/dbraw/zinc/89/42/31/960894231.db2.gz WCJRKNIZIUQCQU-NXEZZACHSA-N 2 0 200.326 1.081 20 0 BDADRP CC(C)[C@](C)(O)C[NH2+]CC1CC[NH+](C)CC1 ZINC000229315714 961414428 /nfs/dbraw/zinc/41/44/28/961414428.db2.gz CBKYHOUPUOICFM-CYBMUJFWSA-N 2 0 228.380 1.325 20 0 BDADRP [NH2+]=C(NCCCC[NH3+])Nc1ccc2cnoc2c1 ZINC001167878762 961441749 /nfs/dbraw/zinc/44/17/49/961441749.db2.gz PBXHLSVRTATMFB-UHFFFAOYSA-N 2 0 247.302 1.503 20 0 BDADRP C[C@]1(C[N@@H+]2CC[C@H](c3ccccn3)C2)CC[NH2+]C1 ZINC000843115649 961874471 /nfs/dbraw/zinc/87/44/71/961874471.db2.gz MZJNLTBFMPNAGE-ZFWWWQNUSA-N 2 0 245.370 1.871 20 0 BDADRP Cc1nc(N)ccc1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206632180 962122014 /nfs/dbraw/zinc/12/20/14/962122014.db2.gz GVKATBJWARVRKX-GFCCVEGCSA-N 2 0 248.374 1.533 20 0 BDADRP [NH3+]Cc1cccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1 ZINC001206640380 962271965 /nfs/dbraw/zinc/27/19/65/962271965.db2.gz JIMCIUQTDQTMNM-OAHLLOKOSA-N 3 0 247.386 1.706 20 0 BDADRP C[N@H+]1C[C@@H]2C[NH+]([C@H]3C[C@H]4C[C@H]4C3)C[C@@H]2C1 ZINC001167953673 962741617 /nfs/dbraw/zinc/74/16/17/962741617.db2.gz VILVWHMMAOZMKT-CXYFJQCHSA-N 2 0 206.333 1.278 20 0 BDADRP C[NH+](C)Cc1ccnc(N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC001154990941 962934357 /nfs/dbraw/zinc/93/43/57/962934357.db2.gz ZEYQMWSEGNYUGM-OLZOCXBDSA-N 2 0 248.374 1.825 20 0 BDADRP Cc1cc(C)[nH+]c(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)c1 ZINC001155479826 963084264 /nfs/dbraw/zinc/08/42/64/963084264.db2.gz HBTLEIRCNLECOZ-JHJVBQTASA-N 2 0 247.342 1.345 20 0 BDADRP CN(C)c1cccc(N[C@H]2C[NH+]3CCC2CC3)n1 ZINC001155662823 963150077 /nfs/dbraw/zinc/15/00/77/963150077.db2.gz OJEWXVCBGIFHEL-LBPRGKRZSA-N 2 0 246.358 1.654 20 0 BDADRP C[NH+](C)C[C@@]12C[C@@H]1CN(c1cc(N)cc[nH+]1)C2 ZINC001156376736 963324274 /nfs/dbraw/zinc/32/42/74/963324274.db2.gz SQKHCCAKFJBNPF-ZWNOBZJWSA-N 2 0 232.331 1.052 20 0 BDADRP C[C@H]1[C@@H]([NH3+])CCCN1c1cc(N(C)C)cc[nH+]1 ZINC001157740968 963713718 /nfs/dbraw/zinc/71/37/18/963713718.db2.gz JAVCCNFHCNZFPP-JQWIXIFHSA-N 2 0 234.347 1.464 20 0 BDADRP C[C@@H]1C[C@@H]([NH+]2CCC([NH+](C)C)CC2)CCO1 ZINC001168102551 963713705 /nfs/dbraw/zinc/71/37/05/963713705.db2.gz GMCVBKXNTGSBQL-YPMHNXCESA-N 2 0 226.364 1.580 20 0 BDADRP C[C@H]1C[C@H]([NH+]2CCC(C[NH+](C)C)CC2)CCO1 ZINC001168129301 963807640 /nfs/dbraw/zinc/80/76/40/963807640.db2.gz XAQOXVTZZULCFV-GXTWGEPZSA-N 2 0 240.391 1.828 20 0 BDADRP Cc1nc(N2C[C@@H](C)[NH2+][C@H](C)C2)cc(N(C)C)[nH+]1 ZINC001158173028 963818720 /nfs/dbraw/zinc/81/87/20/963818720.db2.gz NKWANEVRKWNGBJ-NXEZZACHSA-N 2 0 249.362 1.038 20 0 BDADRP Cc1c[nH+]c(N2CCC[C@@](C)(C[NH3+])C2)cc1N ZINC001158684248 963903300 /nfs/dbraw/zinc/90/33/00/963903300.db2.gz MUMPOKFEHQNDSM-ZDUSSCGKSA-N 2 0 234.347 1.537 20 0 BDADRP C[NH+](C)CCC(C)(C)Nc1ncc2c(n1)C[NH2+]C2 ZINC001158757330 963917508 /nfs/dbraw/zinc/91/75/08/963917508.db2.gz LDZIHQXBPRCJJF-UHFFFAOYSA-N 2 0 249.362 1.222 20 0 BDADRP c1cc2c(cc[nH+]c2N2CC3(C2)CCC[NH2+]C3)[nH]1 ZINC001159017358 963974323 /nfs/dbraw/zinc/97/43/23/963974323.db2.gz BFXAFOOPWSFRHS-UHFFFAOYSA-N 2 0 242.326 1.753 20 0 BDADRP CCOc1cc[nH+]c(N2CC3(C2)CCC[NH2+]C3)c1 ZINC001159019459 963976352 /nfs/dbraw/zinc/97/63/52/963976352.db2.gz KCESHARGHAUFAE-UHFFFAOYSA-N 2 0 247.342 1.670 20 0 BDADRP Cc1cc(C)[nH+]c(N2CCC3(C[NH2+]C3)CC2)c1 ZINC001159039735 963979470 /nfs/dbraw/zinc/97/94/70/963979470.db2.gz LHQDBCYXUCOODN-UHFFFAOYSA-N 2 0 231.343 1.888 20 0 BDADRP [NH3+]C1(c2ccc(N[C@H]3C[NH2+]CC[C@H]3F)cc2)CC1 ZINC001168226443 964007367 /nfs/dbraw/zinc/00/73/67/964007367.db2.gz KFWDQLPWJUACAX-OLZOCXBDSA-N 2 0 249.333 1.746 20 0 BDADRP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H](C)C[NH3+])C2 ZINC001168245443 964059376 /nfs/dbraw/zinc/05/93/76/964059376.db2.gz YXCUKFQFWTYAMT-MFKMUULPSA-N 2 0 234.343 1.347 20 0 BDADRP Cc1c[nH+]c(N[C@H](C)[C@@H]2C[NH2+]CCO2)c(C)c1 ZINC001159494905 964111291 /nfs/dbraw/zinc/11/12/91/964111291.db2.gz BBSDWQRTUJGVSL-NEPJUHHUSA-N 2 0 235.331 1.487 20 0 BDADRP Cc1c[nH+]c(N[C@H](C)[C@H]2C[NH2+]CCO2)cc1C ZINC001159503204 964116255 /nfs/dbraw/zinc/11/62/55/964116255.db2.gz UWPZAVPVXHMPBN-VXGBXAGGSA-N 2 0 235.331 1.487 20 0 BDADRP CCCc1cc(NCC[C@@H](C)[NH3+])nc(C)n1 ZINC001159773013 964187793 /nfs/dbraw/zinc/18/77/93/964187793.db2.gz QSOMMAIPVBLFAF-SECBINFHSA-N 2 0 222.336 1.887 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1cc(C2CC2)ccn1 ZINC001159783989 964193756 /nfs/dbraw/zinc/19/37/56/964193756.db2.gz GGICONIINAUBQJ-NSHDSACASA-N 2 0 220.320 1.395 20 0 BDADRP Cc1cccc2ncc(N[C@H]([NH3+])CCC[NH3+])nc12 ZINC001159783113 964194586 /nfs/dbraw/zinc/19/45/86/964194586.db2.gz BLJUBYOPCFMPRM-NSHDSACASA-N 2 0 245.330 1.374 20 0 BDADRP CC(C)(C)c1ccc(N[C@@H]([NH3+])CCC[NH3+])nc1 ZINC001159788107 964199585 /nfs/dbraw/zinc/19/95/85/964199585.db2.gz HFTPSTCZAQVKOR-LLVKDONJSA-N 2 0 236.363 1.815 20 0 BDADRP Cc1cc(C(C)C)nc(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001159789272 964203029 /nfs/dbraw/zinc/20/30/29/964203029.db2.gz RCEKUKLLNZJGSQ-NSHDSACASA-N 2 0 237.351 1.344 20 0 BDADRP C1=C(Nc2ccccc2C2=CC[NH2+]CC2)C[NH2+]C1 ZINC001160023934 964238334 /nfs/dbraw/zinc/23/83/34/964238334.db2.gz XODQQTVZWDUFHW-UHFFFAOYSA-N 2 0 241.338 1.962 20 0 BDADRP CC1(C)C[NH2+]Cc2cc(NC3=CC[NH2+]C3)ccc21 ZINC001160285679 964275437 /nfs/dbraw/zinc/27/54/37/964275437.db2.gz YTUCBUSIVRIABE-UHFFFAOYSA-N 2 0 243.354 1.966 20 0 BDADRP C[NH+](C)C1CCC(n2nccc2C[NH3+])CC1 ZINC001168290597 964390050 /nfs/dbraw/zinc/39/00/50/964390050.db2.gz QCWOOYGWLMYSFS-UHFFFAOYSA-N 2 0 222.336 1.387 20 0 BDADRP CCOC1C[NH+](C2CCC([NH+](C)C)CC2)C1 ZINC001168313646 964413524 /nfs/dbraw/zinc/41/35/24/964413524.db2.gz FQJJWWRHYOIMEO-UHFFFAOYSA-N 2 0 226.364 1.580 20 0 BDADRP CN1CCC[N@@H+](C2CCC([NH+](C)C)CC2)CC1 ZINC001168314328 964420355 /nfs/dbraw/zinc/42/03/55/964420355.db2.gz DUOMPGMMJHKYDK-UHFFFAOYSA-N 2 0 239.407 1.497 20 0 BDADRP C[C@@H]1C[NH+](C2CCC([NH+](C)C)CC2)C[C@@H](C)O1 ZINC001168315722 964420954 /nfs/dbraw/zinc/42/09/54/964420954.db2.gz LXAHWJXVQKMEAT-IWMBGFJWSA-N 2 0 240.391 1.968 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2CCOCC23CC3)CC1 ZINC001168328265 964461625 /nfs/dbraw/zinc/46/16/25/964461625.db2.gz BZRQYOPEUDSAMY-UHFFFAOYSA-N 2 0 238.375 1.724 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2CC[C@]23CCOC3)CC1 ZINC001168331126 964465306 /nfs/dbraw/zinc/46/53/06/964465306.db2.gz ZOPRGMXLARKZNN-JXQTWKCFSA-N 2 0 238.375 1.724 20 0 BDADRP CCN(C)c1cc(C)[nH+]c(NC/C=C/C[NH3+])n1 ZINC001160977854 964466204 /nfs/dbraw/zinc/46/62/04/964466204.db2.gz QFXTVVKOHSTDDD-AATRIKPKSA-N 2 0 235.335 1.168 20 0 BDADRP CN(C(=O)[C@H]([NH3+])C(C)(C)C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161062915 964509651 /nfs/dbraw/zinc/50/96/51/964509651.db2.gz LARZZJHWSFFBIC-MXWKQRLJSA-N 2 0 241.379 1.088 20 0 BDADRP Nc1cccc(Nc2cccc(CC[NH3+])c2)[nH+]1 ZINC001161078333 964513673 /nfs/dbraw/zinc/51/36/73/964513673.db2.gz BOESEOGZIOZYGW-UHFFFAOYSA-N 2 0 228.299 1.909 20 0 BDADRP Nc1cc[nH+]c(Nc2cccc(CC[NH3+])c2)c1 ZINC001161078977 964515301 /nfs/dbraw/zinc/51/53/01/964515301.db2.gz UKZSORHLHQTYQB-UHFFFAOYSA-N 2 0 228.299 1.909 20 0 BDADRP C[C@@]1([NH2+]C2CC[NH+](CC3CC3)CC2)C[C@@H](O)C1 ZINC001168358336 964529158 /nfs/dbraw/zinc/52/91/58/964529158.db2.gz SGXCJLGGZOBJCW-HDJSIYSDSA-N 2 0 238.375 1.364 20 0 BDADRP C[C@H](CC[NH2+][C@H]1CS[C@H](C)C1)[NH+](C)C ZINC000697872905 964599098 /nfs/dbraw/zinc/59/90/98/964599098.db2.gz SETARAPDQSRLIY-GMTAPVOTSA-N 2 0 216.394 1.810 20 0 BDADRP C[C@H](CC[NH2+][C@@H](C)[C@@H]1CCCO1)[NH+](C)C ZINC000697892052 964650185 /nfs/dbraw/zinc/65/01/85/964650185.db2.gz ZJQZVDWINFLJPI-WOPDTQHZSA-N 2 0 214.353 1.484 20 0 BDADRP OCC1([NH2+]C2CC[NH+](CC3CC3)CC2)CCC1 ZINC001168363383 964678444 /nfs/dbraw/zinc/67/84/44/964678444.db2.gz ZIVDONBUYBYIHW-UHFFFAOYSA-N 2 0 238.375 1.365 20 0 BDADRP C([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CSC1 ZINC000697998427 964860004 /nfs/dbraw/zinc/86/00/04/964860004.db2.gz BDDYAPBGSSRDCU-NWDGAFQWSA-N 2 0 226.389 1.566 20 0 BDADRP [NH3+][C@H]1CCC[C@@H](Nc2ccc3c(n2)C[NH2+]CC3)C1 ZINC001162393958 964953463 /nfs/dbraw/zinc/95/34/63/964953463.db2.gz NXGYIJGNENSYEG-NWDGAFQWSA-N 2 0 246.358 1.409 20 0 BDADRP Cc1c(N)cc[nH+]c1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001162393019 964953790 /nfs/dbraw/zinc/95/37/90/964953790.db2.gz SMOXWKJEZHMUTP-ZJUUUORDSA-N 2 0 220.320 1.654 20 0 BDADRP Nc1ccc(N[C@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC001162402235 964960657 /nfs/dbraw/zinc/96/06/57/964960657.db2.gz PLPNOJYLDSSTDA-BDAKNGLRSA-N 2 0 206.293 1.346 20 0 BDADRP OC[C@@H]1CCC[N@@H+]1C1CC[NH+](CC2CC2)CC1 ZINC001168373768 964981712 /nfs/dbraw/zinc/98/17/12/964981712.db2.gz UHJDQTNNZWWNOZ-AWEZNQCLSA-N 2 0 238.375 1.318 20 0 BDADRP C[NH+](C)[C@H]1CC[C@H](OC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001224817366 964986214 /nfs/dbraw/zinc/98/62/14/964986214.db2.gz NVYMLWIZTHQRLX-IHRRRGAJSA-N 2 0 240.391 1.970 20 0 BDADRP C[C@@H]1C[C@@H](CNc2cc[nH+]c3c2ccn3C)C[NH2+]1 ZINC001162558617 965048486 /nfs/dbraw/zinc/04/84/86/965048486.db2.gz BJAOXCSPPSTYST-GHMZBOCLSA-N 2 0 244.342 1.983 20 0 BDADRP C[C@H]([NH3+])c1ccc(-n2nccc2C[NH3+])cc1 ZINC001162593664 965070206 /nfs/dbraw/zinc/07/02/06/965070206.db2.gz ONOPKSYGASIRLY-VIFPVBQESA-N 2 0 216.288 1.351 20 0 BDADRP CC[NH+](CC)CCO[C@H]1CCC[N@H+](CC)C1 ZINC001224928867 965103421 /nfs/dbraw/zinc/10/34/21/965103421.db2.gz XGWSOWJKLZQNED-ZDUSSCGKSA-N 2 0 228.380 1.829 20 0 BDADRP C[N@@H+]1C[C@@H]2C[C@H]1CN2C1CC[NH+](CC2CC2)CC1 ZINC001168388013 965115931 /nfs/dbraw/zinc/11/59/31/965115931.db2.gz ZQQJWCWUXZOWPM-GJZGRUSLSA-N 2 0 249.402 1.249 20 0 BDADRP c1cc2c[nH+]c(N[C@H]3C=C[C@@H]4C[NH2+]C[C@H]43)cc2[nH]1 ZINC001162789844 965179688 /nfs/dbraw/zinc/17/96/88/965179688.db2.gz MSVMNGNISVCNNU-JLLWLGSASA-N 2 0 240.310 1.749 20 0 BDADRP CN(C)c1cc[nH+]c(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)c1 ZINC001162791556 965183045 /nfs/dbraw/zinc/18/30/45/965183045.db2.gz CMPIVMKRQMZPLP-RAIGVLPGSA-N 2 0 244.342 1.334 20 0 BDADRP C[n+]1cccc(N2C[C@@H]([NH3+])Cc3ccccc32)c1 ZINC001162853452 965195930 /nfs/dbraw/zinc/19/59/30/965195930.db2.gz KUJNGCPUZZCHFL-ZDUSSCGKSA-N 2 0 240.330 1.533 20 0 BDADRP C[NH+]1CCC(C[NH2+]CCO[C@H]2CC2(F)F)CC1 ZINC000690710773 965325503 /nfs/dbraw/zinc/32/55/03/965325503.db2.gz PZSUUQPFTDJYPI-NSHDSACASA-N 2 0 248.317 1.342 20 0 BDADRP C[C@H]([NH3+])c1ccc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)cn1 ZINC001163269319 965326249 /nfs/dbraw/zinc/32/62/49/965326249.db2.gz ZQYBSGMJBNQQFM-QPPBUOOMSA-N 2 0 246.358 1.511 20 0 BDADRP [NH3+]C1(CNc2cc3[nH]ccc3c[nH+]2)CCC1 ZINC001163322567 965329694 /nfs/dbraw/zinc/32/96/94/965329694.db2.gz XEXDLDVKWARKDO-UHFFFAOYSA-N 2 0 216.288 1.856 20 0 BDADRP [NH3+]C1CCN(c2cccc(N3CCC3)[nH+]2)CC1 ZINC001163537971 965433377 /nfs/dbraw/zinc/43/33/77/965433377.db2.gz WPPJNQZFYUZNMC-UHFFFAOYSA-N 2 0 232.331 1.219 20 0 BDADRP CCN1CC[C@H]([NH2+]CCCC[NH+](C)C)C1 ZINC000328518097 965454256 /nfs/dbraw/zinc/45/42/56/965454256.db2.gz QLHDVXRNMQEGES-LBPRGKRZSA-N 2 0 213.369 1.012 20 0 BDADRP Cc1cc2[nH]ccc2c(N(C)CC[NH+](C)C)[nH+]1 ZINC001163589694 965469010 /nfs/dbraw/zinc/46/90/10/965469010.db2.gz CQDAZUUCILPRJG-UHFFFAOYSA-N 2 0 232.331 1.869 20 0 BDADRP CN(CC[NH+](C)C)c1cc(C[NH+](C)C)ccn1 ZINC001163591113 965472936 /nfs/dbraw/zinc/47/29/36/965472936.db2.gz PNDKVXCGFORFIU-UHFFFAOYSA-N 2 0 236.363 1.141 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc[nH]c2=O)CC1 ZINC000714983983 965580796 /nfs/dbraw/zinc/58/07/96/965580796.db2.gz SKZZEBHWHFWMPC-GFCCVEGCSA-N 2 0 235.331 1.361 20 0 BDADRP C[C@H]1CC[C@H](C[NH3+])N(c2cc(N(C)C)cc[nH+]2)C1 ZINC001164070934 965727770 /nfs/dbraw/zinc/72/77/70/965727770.db2.gz QKWBFEHLDNSRQZ-WCQYABFASA-N 2 0 248.374 1.711 20 0 BDADRP [NH3+][C@H](Cc1ccccc1)CN1CCC[C@@H]([NH3+])CC1 ZINC001205094595 965729482 /nfs/dbraw/zinc/72/94/82/965729482.db2.gz NEPYURKWBFMFDT-HUUCEWRRSA-N 2 0 247.386 1.370 20 0 BDADRP Cc1c[nH+]c(N2C[C@@H](C)CC[C@H]2C[NH3+])cc1N ZINC001164073548 965732368 /nfs/dbraw/zinc/73/23/68/965732368.db2.gz MCNAJOZALGBSPL-ONGXEEELSA-N 2 0 234.347 1.536 20 0 BDADRP [NH3+][C@@H]1CCC[N@H+](CCCc2cccnc2)CC1 ZINC001205095507 965748210 /nfs/dbraw/zinc/74/82/10/965748210.db2.gz YIQFBVQIRADSJH-CQSZACIVSA-N 2 0 233.359 1.827 20 0 BDADRP CC1([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCOCC1 ZINC000699213035 965816562 /nfs/dbraw/zinc/81/65/62/965816562.db2.gz XVIVSRRSSOMQFR-YHWZYXNKSA-N 2 0 238.375 1.676 20 0 BDADRP C[C@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCO1 ZINC000699211095 965817549 /nfs/dbraw/zinc/81/75/49/965817549.db2.gz POBBDEFGVAFFFF-FUDCBSFHSA-N 2 0 238.375 1.628 20 0 BDADRP CC1(C)C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000699209601 965817636 /nfs/dbraw/zinc/81/76/36/965817636.db2.gz IVJIZPQLRLGNOA-YHWZYXNKSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@H]1CC[C@H](C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)O1 ZINC000699263489 965824501 /nfs/dbraw/zinc/82/45/01/965824501.db2.gz KNEXBNFRVOAIPD-APYLGABCSA-N 2 0 238.375 1.674 20 0 BDADRP [NH3+]Cc1ccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)cc1 ZINC001205109606 965829169 /nfs/dbraw/zinc/82/91/69/965829169.db2.gz ITHVDRXWSHEOJP-AWEZNQCLSA-N 3 0 233.359 1.459 20 0 BDADRP [NH3+][C@@H]1CCC[N@H+](Cc2cccc3[nH]cnc32)CC1 ZINC001205109745 965833409 /nfs/dbraw/zinc/83/34/09/965833409.db2.gz KYYVHRUZHPUGTB-GFCCVEGCSA-N 2 0 244.342 1.876 20 0 BDADRP CC[NH+](CC)Cc1cncc(NOCC[NH3+])c1 ZINC001164435298 965880405 /nfs/dbraw/zinc/88/04/05/965880405.db2.gz COHPTDNONBIWCK-UHFFFAOYSA-N 2 0 238.335 1.226 20 0 BDADRP COc1cc[nH+]c(N2C[C@H](C[NH3+])CC[C@@H]2C)c1 ZINC001164455173 965888501 /nfs/dbraw/zinc/88/85/01/965888501.db2.gz BPCQRMQUWFWRGH-QWRGUYRKSA-N 2 0 235.331 1.654 20 0 BDADRP CC[C@@H]1COC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000699497608 965922305 /nfs/dbraw/zinc/92/23/05/965922305.db2.gz WQSFCZRYPLKNAX-BZPMIXESSA-N 2 0 238.375 1.485 20 0 BDADRP CC[C@@H]1COC[C@H]1[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000699532173 965944970 /nfs/dbraw/zinc/94/49/70/965944970.db2.gz KYJRUOVWQXZHEH-JHJVBQTASA-N 2 0 226.364 1.343 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@H]2C[C@@H](CO)C2)CC1 ZINC000715205605 965947395 /nfs/dbraw/zinc/94/73/95/965947395.db2.gz QGYXACYDSMCVPD-UODQLWRSSA-N 2 0 226.364 1.220 20 0 BDADRP CC[C@@H]1COC[C@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000699533723 965949727 /nfs/dbraw/zinc/94/97/27/965949727.db2.gz PNZPTNMKYYECHX-CHWSQXEVSA-N 2 0 224.348 1.263 20 0 BDADRP CC[C@H]1COC[C@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000699533727 965949878 /nfs/dbraw/zinc/94/98/78/965949878.db2.gz PNZPTNMKYYECHX-QWHCGFSZSA-N 2 0 224.348 1.263 20 0 BDADRP COc1cc[nH+]c(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1 ZINC001165145777 965971810 /nfs/dbraw/zinc/97/18/10/965971810.db2.gz WQCSBZAWTBICAR-PHIMTYICSA-N 2 0 233.315 1.088 20 0 BDADRP C(C1CCCCC1)[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235056278 965998839 /nfs/dbraw/zinc/99/88/39/965998839.db2.gz XKGOQCCUNUTHAG-AWEZNQCLSA-N 2 0 237.391 1.204 20 0 BDADRP C[n+]1cccc(NCC[C@H]2CCC[N@@H+](C)C2)c1 ZINC001165300907 966039647 /nfs/dbraw/zinc/03/96/47/966039647.db2.gz UMBLBGJQVPTFFZ-CYBMUJFWSA-N 2 0 234.367 1.655 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCC[C@@H]1CN1CCCC1 ZINC001235787896 966110996 /nfs/dbraw/zinc/11/09/96/966110996.db2.gz AAJDNDBHAOIRCQ-CYBMUJFWSA-N 2 0 225.380 1.286 20 0 BDADRP [NH3+][C@]12CC[C@@H]1C[N@H+](C[C@@H]1C[C@H]3C=C[C@@H]1C3)C2 ZINC001235978337 966191768 /nfs/dbraw/zinc/19/17/68/966191768.db2.gz KGHMBXGVGPZUQB-VJTDZRGJSA-N 2 0 218.344 1.622 20 0 BDADRP CC[NH2+]CCN(C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236584885 966470172 /nfs/dbraw/zinc/47/01/72/966470172.db2.gz YSTXKSBYWDHBAE-LBPRGKRZSA-N 2 0 225.380 1.060 20 0 BDADRP CO[C@@H]1C[N@H+](C[C@]2(C)CCC[NH2+]C2)CC[C@@H]1C ZINC000300005155 966490977 /nfs/dbraw/zinc/49/09/77/966490977.db2.gz KZCFNPJKNPMZGZ-BFHYXJOUSA-N 2 0 240.391 1.733 20 0 BDADRP Cc1cncc(C[NH+]2CCC3(C[NH+](C)C3)CC2)n1 ZINC001203175275 966546281 /nfs/dbraw/zinc/54/62/81/966546281.db2.gz MOAABGBQCXMEOY-UHFFFAOYSA-N 2 0 246.358 1.313 20 0 BDADRP Cc1ccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)o1 ZINC001203292349 966604794 /nfs/dbraw/zinc/60/47/94/966604794.db2.gz ORFMYNMSVJUCTP-OLZOCXBDSA-N 2 0 234.343 1.972 20 0 BDADRP CC(C)[NH2+]CCC[C@H](C)NC(=O)CC[NH+](C)C ZINC001485735400 966632204 /nfs/dbraw/zinc/63/22/04/966632204.db2.gz IUCSOSSJYRMEAI-LBPRGKRZSA-N 2 0 243.395 1.221 20 0 BDADRP [NH3+]CCCCC[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237380766 966653367 /nfs/dbraw/zinc/65/33/67/966653367.db2.gz HKRUKVNEITXBOX-QWHCGFSZSA-N 3 0 225.380 1.189 20 0 BDADRP Cc1ncccc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001204089073 966890695 /nfs/dbraw/zinc/89/06/95/966890695.db2.gz KCFIULGDQYITSN-RBSFLKMASA-N 2 0 245.370 1.820 20 0 BDADRP C[N@@H+]1CCC2(CN(CC3(C)CCOCC3)C2)C1 ZINC001276448773 966931282 /nfs/dbraw/zinc/93/12/82/966931282.db2.gz QFUOGHIWMUBUDE-UHFFFAOYSA-N 2 0 238.375 1.441 20 0 BDADRP C[C@@]1(C[N@@H+]2CC[C@H](c3ccccn3)C2)CC[NH2+]C1 ZINC000843115635 967103026 /nfs/dbraw/zinc/10/30/26/967103026.db2.gz MZJNLTBFMPNAGE-DZGCQCFKSA-N 2 0 245.370 1.871 20 0 BDADRP c1[nH]nc2cccc(CN3CCC[NH2+]CC3)c12 ZINC001204667974 967126307 /nfs/dbraw/zinc/12/63/07/967126307.db2.gz QRWVFZCCOFDYJU-UHFFFAOYSA-N 2 0 230.315 1.358 20 0 BDADRP CC[NH+]1CCC(C[N@H+](C)C[C@H]2CCOC2)CC1 ZINC001204797468 967175609 /nfs/dbraw/zinc/17/56/09/967175609.db2.gz ZJZGOLQUUBDHMP-CQSZACIVSA-N 2 0 240.391 1.687 20 0 BDADRP CC[C@@H](O)C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000715560864 967184689 /nfs/dbraw/zinc/18/46/89/967184689.db2.gz GDTCHPVFXRTYLB-GRYCIOLGSA-N 2 0 214.353 1.220 20 0 BDADRP C[NH+](C)[C@H]1CCC[C@H](NC2CC[NH+](C)CC2)C1 ZINC000715579043 967189746 /nfs/dbraw/zinc/18/97/46/967189746.db2.gz GVSYUNXWBSAQKG-KBPBESRZSA-N 3 0 239.407 1.543 20 0 BDADRP Nc1[nH]c2cc(-c3cncc(C[NH3+])c3)ccc2[nH+]1 ZINC001239799024 967193342 /nfs/dbraw/zinc/19/33/42/967193342.db2.gz WHYRUXFIAPYKBV-UHFFFAOYSA-N 2 0 239.282 1.666 20 0 BDADRP C[C@H](O)[C@H]1CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000691351643 967261649 /nfs/dbraw/zinc/26/16/49/967261649.db2.gz UFUALMYCABXRBB-AAEUAGOBSA-N 2 0 226.364 1.031 20 0 BDADRP C[C@@H](O)C1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC000691352455 967263209 /nfs/dbraw/zinc/26/32/09/967263209.db2.gz YZTGUHVFFZDESU-GFCCVEGCSA-N 2 0 240.391 1.421 20 0 BDADRP CC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCCOC1 ZINC000693616760 967277308 /nfs/dbraw/zinc/27/73/08/967277308.db2.gz QRIVNVQTHHOPFJ-TUAOUCFPSA-N 2 0 212.337 1.225 20 0 BDADRP COc1ccc(C[NH+]2CCC(C[NH3+])CC2)nc1 ZINC001205046314 967301744 /nfs/dbraw/zinc/30/17/44/967301744.db2.gz CRVRNZSCNPQNKZ-UHFFFAOYSA-N 2 0 235.331 1.261 20 0 BDADRP CS[C@@H](C)CC[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205094818 967341791 /nfs/dbraw/zinc/34/17/91/967341791.db2.gz QKZQCTUTWIIATB-QWRGUYRKSA-N 2 0 216.394 1.941 20 0 BDADRP COc1cccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c1N ZINC001205116643 967364660 /nfs/dbraw/zinc/36/46/60/967364660.db2.gz FJZRJEHZZHJQOB-GFCCVEGCSA-N 2 0 249.358 1.591 20 0 BDADRP Cc1ccnc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205136133 967383652 /nfs/dbraw/zinc/38/36/52/967383652.db2.gz QGHIRCGSCSXDBX-NWDGAFQWSA-N 2 0 219.332 1.417 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCC[C@H](O)CC2)CC1 ZINC000691359793 967401378 /nfs/dbraw/zinc/40/13/78/967401378.db2.gz NYPRPNPDDCGAMP-ZDUSSCGKSA-N 2 0 226.364 1.175 20 0 BDADRP [NH3+]C[C@@]1(O)CCC[N@H+](CC2CCCC2)CC1 ZINC001205210134 967427725 /nfs/dbraw/zinc/42/77/25/967427725.db2.gz NCSCBTDUJFIHPQ-CYBMUJFWSA-N 2 0 226.364 1.352 20 0 BDADRP CCCCCC[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205210110 967430885 /nfs/dbraw/zinc/43/08/85/967430885.db2.gz MSJITOKQTVPOSA-CYBMUJFWSA-N 2 0 228.380 1.742 20 0 BDADRP C[C@]1([NH3+])CCC[N@H+](CC23CC([NH3+])(C2)C3)CC1 ZINC001205257914 967452475 /nfs/dbraw/zinc/45/24/75/967452475.db2.gz YOHVIFHFRAYDQZ-HIFPTAJRSA-N 3 0 223.364 1.071 20 0 BDADRP C[C@]1([NH3+])CCCN(Cc2c[nH+]ccc2N)CC1 ZINC001205266801 967456947 /nfs/dbraw/zinc/45/69/47/967456947.db2.gz XZTZTHCAHPHFFU-ZDUSSCGKSA-N 2 0 234.347 1.197 20 0 BDADRP Cc1ccc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c(N)n1 ZINC001205281161 967470470 /nfs/dbraw/zinc/47/04/70/967470470.db2.gz QNSBKAMAFJMXKX-CQSZACIVSA-N 2 0 248.374 1.676 20 0 BDADRP C[NH+](C)CCCC[NH2+]c1ccc2[nH]c(=O)cc-2[nH]1 ZINC001161731144 967617788 /nfs/dbraw/zinc/61/77/88/967617788.db2.gz REUYYSJGCSRSNK-UHFFFAOYSA-N 2 0 248.330 1.330 20 0 BDADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2cnsc2)CC1 ZINC001205578611 967706074 /nfs/dbraw/zinc/70/60/74/967706074.db2.gz GWXSZJXFOFJXLM-NSHDSACASA-N 2 0 243.351 1.796 20 0 BDADRP C[C@H]1CC[N@H+](Cc2cncnc2)CC[C@@H]1C[NH3+] ZINC001205618972 967729583 /nfs/dbraw/zinc/72/95/83/967729583.db2.gz ZSHQUAWXYNETGC-WCQYABFASA-N 2 0 234.347 1.283 20 0 BDADRP C[C@H]1CC[N@H+](Cc2cscn2)CC[C@H]1C[NH3+] ZINC001205615800 967730230 /nfs/dbraw/zinc/73/02/30/967730230.db2.gz BDHRUHSTZOYYSS-QWRGUYRKSA-N 2 0 239.388 1.950 20 0 BDADRP C[C@H]1CC[N@H+](Cc2cccnc2N)CC[C@H]1C[NH3+] ZINC001205637032 967733031 /nfs/dbraw/zinc/73/30/31/967733031.db2.gz GFJTVIJUNROTQI-RYUDHWBXSA-N 2 0 248.374 1.471 20 0 BDADRP [NH3+]C[C@@]1(O)CCCC[N@H+](CC2CCCC2)C1 ZINC001205664140 967756663 /nfs/dbraw/zinc/75/66/63/967756663.db2.gz MMNQNRDPVAXYGH-ZDUSSCGKSA-N 2 0 226.364 1.352 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2cc3ccccn3n2)CC1 ZINC001205053572 967774261 /nfs/dbraw/zinc/77/42/61/967774261.db2.gz PKTDJWAAUCTLBN-UHFFFAOYSA-N 2 0 244.342 1.505 20 0 BDADRP C[C@@H]1CCN(CCC2CC[NH+](C)CC2)C[C@@H]1[NH3+] ZINC001205863391 967859323 /nfs/dbraw/zinc/85/93/23/967859323.db2.gz QEWVCQDZSCXLEB-OCCSQVGLSA-N 2 0 239.407 1.387 20 0 BDADRP Cc1cnccc1C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001205868028 967866307 /nfs/dbraw/zinc/86/63/07/967866307.db2.gz PZBCQWYGBVFNAF-UHFFFAOYSA-N 2 0 245.370 1.918 20 0 BDADRP CC[N@H+]1C[C@H]2CN(Cc3ccncc3C)C[C@H]2C1 ZINC001205873998 967868022 /nfs/dbraw/zinc/86/80/22/967868022.db2.gz XZXGDJOVZRKDIJ-GASCZTMLSA-N 2 0 245.370 1.774 20 0 BDADRP C[C@@H]1CCN(Cc2ccc3c(c2)C[NH2+]C3)C[C@@H]1[NH3+] ZINC001205880280 967871681 /nfs/dbraw/zinc/87/16/81/967871681.db2.gz AZHHJQINSZJULZ-ABAIWWIYSA-N 2 0 245.370 1.459 20 0 BDADRP C[C@@H]1[C@@H](C[NH3+])CCCN1C[C@H]1CCCC[NH2+]1 ZINC001205902580 967881174 /nfs/dbraw/zinc/88/11/74/967881174.db2.gz KRBJXOLSTQDZMU-JHJVBQTASA-N 2 0 225.380 1.188 20 0 BDADRP N[C@@H]1CCCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC001205925855 967888560 /nfs/dbraw/zinc/88/85/60/967888560.db2.gz ZQGCTZGYDMICEL-CHWSQXEVSA-N 2 0 225.380 1.189 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CC[C@H](O)C2(C)C)CC1 ZINC001205974110 967926060 /nfs/dbraw/zinc/92/60/60/967926060.db2.gz LWSOVRJPBOHJKH-ZDUSSCGKSA-N 2 0 240.391 1.564 20 0 BDADRP C[C@@H]1C[N@H+](CCCCO)CCC[C@H]1C[NH3+] ZINC001205984677 967936650 /nfs/dbraw/zinc/93/66/50/967936650.db2.gz UCWISLVJOUMVPP-NEPJUHHUSA-N 2 0 214.353 1.066 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cccc(=O)[nH]2)CCC[C@H]1C[NH3+] ZINC001205991340 967940007 /nfs/dbraw/zinc/94/00/07/967940007.db2.gz ADSBEFSSLKJBFZ-NEPJUHHUSA-N 2 0 249.358 1.594 20 0 BDADRP C[C@H]1C[N@H+](Cc2nccn2C)CCC[C@@H]1C[NH3+] ZINC001205996736 967946305 /nfs/dbraw/zinc/94/63/05/967946305.db2.gz XZVSMFPHAPTWGE-NWDGAFQWSA-N 2 0 236.363 1.227 20 0 BDADRP Cc1nc[nH]c1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205993425 967946949 /nfs/dbraw/zinc/94/69/49/967946949.db2.gz HPSJVKNTHLUXTL-JQWIXIFHSA-N 2 0 236.363 1.525 20 0 BDADRP C[C@H]1C[N@H+](Cc2cncn2C)CCC[C@H]1C[NH3+] ZINC001205994682 967949937 /nfs/dbraw/zinc/94/99/37/967949937.db2.gz LVGKXVKFPFFAFJ-RYUDHWBXSA-N 2 0 236.363 1.227 20 0 BDADRP C[C@H]1C[N@H+](Cc2cccnc2)CCC[C@@H]1C[NH3+] ZINC001205994135 967953534 /nfs/dbraw/zinc/95/35/34/967953534.db2.gz JRPPOTYOJCCHRQ-GXTWGEPZSA-N 2 0 233.359 1.888 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccnnc2)CCC[C@H]1C[NH3+] ZINC001206005587 967959630 /nfs/dbraw/zinc/95/96/30/967959630.db2.gz YUBGCHDPUOPDAB-YPMHNXCESA-N 2 0 234.347 1.283 20 0 BDADRP C[C@@H]1CCN(Cc2ccc3c(c2)C[NH2+]C3)C[C@H]1[NH3+] ZINC001206043380 968010474 /nfs/dbraw/zinc/01/04/74/968010474.db2.gz AZHHJQINSZJULZ-IAQYHMDHSA-N 2 0 245.370 1.459 20 0 BDADRP CCOC1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000693576776 968085991 /nfs/dbraw/zinc/08/59/91/968085991.db2.gz AGGKFOWYBVMTBT-PHIMTYICSA-N 2 0 212.337 1.225 20 0 BDADRP CCOC(=O)CC[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206295791 968203144 /nfs/dbraw/zinc/20/31/44/968203144.db2.gz NTNYFGZRHKXYTD-ZDUSSCGKSA-N 2 0 242.363 1.391 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2ncccn2)CC1 ZINC001206305256 968215192 /nfs/dbraw/zinc/21/51/92/968215192.db2.gz XKQXINMTWKXOBG-ZDUSSCGKSA-N 2 0 234.347 1.428 20 0 BDADRP Cc1nccnc1C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206311579 968218029 /nfs/dbraw/zinc/21/80/29/968218029.db2.gz QWJRNTYNJKQKOH-CQSZACIVSA-N 2 0 248.374 1.736 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2ccc(N)nc2)CC1 ZINC001206317232 968223553 /nfs/dbraw/zinc/22/35/53/968223553.db2.gz DENUWUUSESRASC-AWEZNQCLSA-N 2 0 248.374 1.615 20 0 BDADRP Cc1ncncc1C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206326828 968236342 /nfs/dbraw/zinc/23/63/42/968236342.db2.gz PNNOMOFAVXUNAU-AWEZNQCLSA-N 2 0 248.374 1.736 20 0 BDADRP [NH3+]CCCC[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC001331820938 968245949 /nfs/dbraw/zinc/24/59/49/968245949.db2.gz KNVICRRPQUYRMK-OUAUKWLOSA-N 2 0 246.445 1.695 20 0 BDADRP CN(C)c1cc[nH+]c(N2CCC[C@H]3[NH2+]C[C@@H]32)c1 ZINC001165390927 968283434 /nfs/dbraw/zinc/28/34/34/968283434.db2.gz MFGQMPXLQUPAIH-NEPJUHHUSA-N 2 0 232.331 1.088 20 0 BDADRP Cc1cccc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1C ZINC001206464849 968325894 /nfs/dbraw/zinc/32/58/94/968325894.db2.gz UMPDQDZEADUKIW-UONOGXRCSA-N 2 0 234.343 1.055 20 0 BDADRP CC1(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)COC1 ZINC001206542291 968367109 /nfs/dbraw/zinc/36/71/09/968367109.db2.gz XGRPPUGVLNTXIL-GFCCVEGCSA-N 2 0 226.364 1.474 20 0 BDADRP Cn1cccc1C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206542003 968368744 /nfs/dbraw/zinc/36/87/44/968368744.db2.gz OZZJLYVGUHPVJI-CQSZACIVSA-N 2 0 235.375 1.976 20 0 BDADRP COCC[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206541045 968369119 /nfs/dbraw/zinc/36/91/19/968369119.db2.gz FPOIBFUJQLNGRG-LLVKDONJSA-N 2 0 200.326 1.084 20 0 BDADRP C[C@H](O)C[NH2+]C1CC[NH+](CC(C)(C)C)CC1 ZINC001251973981 968414950 /nfs/dbraw/zinc/41/49/50/968414950.db2.gz QHTVLNSHKYKTLV-NSHDSACASA-N 2 0 228.380 1.467 20 0 BDADRP N[C@H]1C[N@H+](CCC2CC[NH2+]CC2)CCC1(F)F ZINC001206649260 968426973 /nfs/dbraw/zinc/42/69/73/968426973.db2.gz RZSQLQHALNISMT-NSHDSACASA-N 2 0 247.333 1.044 20 0 BDADRP C[C@H]([NH3+])CN1C[C@H](C[NH3+])Cc2cc(F)ccc21 ZINC001119606745 968431263 /nfs/dbraw/zinc/43/12/63/968431263.db2.gz SBWSWAYOFPHRLL-UWVGGRQHSA-N 2 0 237.322 1.110 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC001206709061 968436959 /nfs/dbraw/zinc/43/69/59/968436959.db2.gz BGQOTHNZBDJKFC-AWEZNQCLSA-N 2 0 240.391 1.972 20 0 BDADRP Cc1ncc(C[NH+]2CCC3(C[NH+](C)C3)CC2)n1C ZINC001206796170 968480811 /nfs/dbraw/zinc/48/08/11/968480811.db2.gz VYTGSVOWAGGLHM-UHFFFAOYSA-N 2 0 248.374 1.256 20 0 BDADRP C[NH+]1CCC2(C[NH+](Cc3ccc[nH]c3=O)C2)CC1 ZINC001207009739 968547829 /nfs/dbraw/zinc/54/78/29/968547829.db2.gz YEVIKNVFPDVBPH-UHFFFAOYSA-N 2 0 247.342 1.315 20 0 BDADRP CCCC[C@H](O)C[N@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001252096458 968578189 /nfs/dbraw/zinc/57/81/89/968578189.db2.gz CCGDDXIOIIEQIY-MJBXVCDLSA-N 2 0 240.391 1.421 20 0 BDADRP CCCC[C@@H](O)C[NH2+]CC(C)(C)C[NH+](C)C ZINC001252113204 968598047 /nfs/dbraw/zinc/59/80/47/968598047.db2.gz WMBJJDZXGVQJFO-GFCCVEGCSA-N 2 0 230.396 1.715 20 0 BDADRP CCCC[C@H](O)C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001252118733 968603520 /nfs/dbraw/zinc/60/35/20/968603520.db2.gz JZJJMEJXDCZPQB-IHRRRGAJSA-N 2 0 242.407 2.000 20 0 BDADRP CN1CCC([N@H+](C)Cc2cc[nH]c(=O)c2)CC1 ZINC001207115910 968639582 /nfs/dbraw/zinc/63/95/82/968639582.db2.gz CSOLYENVTHUSFU-UHFFFAOYSA-N 2 0 235.331 1.313 20 0 BDADRP CN(CC[NH+]1CCCC1)CC(C)(C)C[NH+](C)C ZINC001207282343 968710399 /nfs/dbraw/zinc/71/03/99/968710399.db2.gz JGVRGHXZEFXXJT-UHFFFAOYSA-N 2 0 241.423 1.602 20 0 BDADRP C[NH+](C)CC(C)(C)C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC001207282819 968719910 /nfs/dbraw/zinc/71/99/10/968719910.db2.gz PWOOGLCZPPYPPR-QWHCGFSZSA-N 2 0 240.391 1.685 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)CC1 ZINC001207395267 968749552 /nfs/dbraw/zinc/74/95/52/968749552.db2.gz ROLFPZNOWFSEJT-RWMBFGLXSA-N 2 0 226.339 1.618 20 0 BDADRP C[NH+]1CCC(C[N@H+]2C[C@H]3CC[C@@H](C2)C3=O)CC1 ZINC001207398673 968750623 /nfs/dbraw/zinc/75/06/23/968750623.db2.gz HNVSXMNQHJULSD-BETUJISGSA-N 2 0 236.359 1.239 20 0 BDADRP CC(=O)[C@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC001207399405 968751862 /nfs/dbraw/zinc/75/18/62/968751862.db2.gz MPNHFXOPMRCBML-ZDUSSCGKSA-N 2 0 224.348 1.239 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CC[C@@]3(CCCO3)C2)CC1 ZINC001207394868 968752991 /nfs/dbraw/zinc/75/29/91/968752991.db2.gz NZFCIXJMNFRFDC-AWEZNQCLSA-N 2 0 238.375 1.583 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCCCC23COC3)CC1 ZINC001207398393 968753316 /nfs/dbraw/zinc/75/33/16/968753316.db2.gz MEDXEVNVTASTJG-UHFFFAOYSA-N 2 0 238.375 1.583 20 0 BDADRP C[C@H]1C[N@H+](CC2CC[NH2+]CC2)CC[C@@]1(C)O ZINC001207436507 968767815 /nfs/dbraw/zinc/76/78/15/968767815.db2.gz KULRJBCZPLIRCD-WCQYABFASA-N 2 0 226.364 1.079 20 0 BDADRP FC1(F)C[C@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@H]2C1 ZINC001207436259 968768650 /nfs/dbraw/zinc/76/86/50/968768650.db2.gz YWGLSGPZWQMDDE-TXEJJXNPSA-N 2 0 244.329 1.963 20 0 BDADRP COCC[C@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC001207437613 968769254 /nfs/dbraw/zinc/76/92/54/968769254.db2.gz MDSQJBUBPULQTF-CQSZACIVSA-N 2 0 240.391 1.877 20 0 BDADRP C[N@@H+]1C[C@@H]2CCCN(CC3CC[NH2+]CC3)[C@@H]2C1 ZINC001207439101 968772222 /nfs/dbraw/zinc/77/22/22/968772222.db2.gz MPOTZLMRDGXPLB-UONOGXRCSA-N 2 0 237.391 1.012 20 0 BDADRP c1cnc([C@H]2CCC[N@H+]2CC2CC[NH2+]CC2)nc1 ZINC001207443176 968775429 /nfs/dbraw/zinc/77/54/29/968775429.db2.gz OQGIBBNYCIPLJH-CYBMUJFWSA-N 2 0 246.358 1.613 20 0 BDADRP CC[N@H+](CCC1CC[NH+](C)CC1)CCN(C)C ZINC001207480217 968800081 /nfs/dbraw/zinc/80/00/81/968800081.db2.gz XHXPZYUXOQXFDW-UHFFFAOYSA-N 2 0 241.423 1.602 20 0 BDADRP COC[C@@H]1CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000829276035 968827179 /nfs/dbraw/zinc/82/71/79/968827179.db2.gz RUPCYTZOKCPZEY-CHWSQXEVSA-N 2 0 226.364 1.344 20 0 BDADRP CC[NH+]1C[C@@H]2C[NH+](C[C@@H]3CCCO3)C[C@H]2C1 ZINC001207896185 968907923 /nfs/dbraw/zinc/90/79/23/968907923.db2.gz KYSONYZUGVKSNK-UPJWGTAASA-N 2 0 224.348 1.049 20 0 BDADRP CCC[C@H](O)C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001252789253 968965137 /nfs/dbraw/zinc/96/51/37/968965137.db2.gz OZFCNSDLDQFMOT-LBPRGKRZSA-N 2 0 226.364 1.175 20 0 BDADRP C[NH+]1CCC(C)(C[N@@H+]2CCC3(COC3)C2)CC1 ZINC001208107852 969000055 /nfs/dbraw/zinc/00/00/55/969000055.db2.gz LDDPLWAIBVHNEI-UHFFFAOYSA-N 2 0 238.375 1.441 20 0 BDADRP C[NH+]1CCC(C)(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)CC1 ZINC001208107751 969003110 /nfs/dbraw/zinc/00/31/10/969003110.db2.gz KBCHBHWSNLUSFW-RYUDHWBXSA-N 2 0 244.354 1.123 20 0 BDADRP C[C@H]1C[C@@H](O)CC[N@@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208113271 969005643 /nfs/dbraw/zinc/00/56/43/969005643.db2.gz FZDITONHESXWLT-STQMWFEESA-N 2 0 240.391 1.564 20 0 BDADRP CC(C)(C)C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253384487 969149413 /nfs/dbraw/zinc/14/94/13/969149413.db2.gz VNOXMAOFDVAQLH-JTQLQIEISA-N 2 0 216.369 1.371 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)CC1 ZINC001208596424 969152545 /nfs/dbraw/zinc/15/25/45/969152545.db2.gz NUXBPERJOBXEKR-OKILXGFUSA-N 2 0 238.375 1.297 20 0 BDADRP C[N@@H+]1CCC[C@H](CN2CC[NH+](C3CC3)CC2)C1 ZINC001208604071 969156878 /nfs/dbraw/zinc/15/68/78/969156878.db2.gz KTCVANGHFJTIFL-ZDUSSCGKSA-N 2 0 237.391 1.108 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH+]2CCC3(COC3)CC2)C1 ZINC001208605102 969158143 /nfs/dbraw/zinc/15/81/43/969158143.db2.gz YTWVIPKNJYZIDS-CYBMUJFWSA-N 2 0 238.375 1.441 20 0 BDADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]CCC1CCC1 ZINC001253406233 969164113 /nfs/dbraw/zinc/16/41/13/969164113.db2.gz DKAYBLRAEODGEJ-LBPRGKRZSA-N 2 0 228.380 1.515 20 0 BDADRP CCOC1CC[NH+](C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001208606710 969165640 /nfs/dbraw/zinc/16/56/40/969165640.db2.gz HXLGGRCEJSERAH-CYBMUJFWSA-N 2 0 240.391 1.829 20 0 BDADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@@H]1C[C@@H]2CC[C@H]1C2 ZINC001253411174 969166794 /nfs/dbraw/zinc/16/67/94/969166794.db2.gz DWDIJFQELLDVSE-MROQNXINSA-N 2 0 240.391 1.514 20 0 BDADRP CCO[C@@H]1CC[N@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208616655 969172824 /nfs/dbraw/zinc/17/28/24/969172824.db2.gz KZBSADRHIHQHCA-CHWSQXEVSA-N 2 0 226.364 1.439 20 0 BDADRP C[N@H+](CCN[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000386807937 969195802 /nfs/dbraw/zinc/19/58/02/969195802.db2.gz CZFNBKZEUSYSNW-HNNXBMFYSA-N 2 0 247.386 1.460 20 0 BDADRP [NH3+][C@@H]1CCN(c2cc(N3CCCC3)cc[nH+]2)C1 ZINC001156227298 969227938 /nfs/dbraw/zinc/22/79/38/969227938.db2.gz RHCZUBHITXMCCH-LLVKDONJSA-N 2 0 232.331 1.219 20 0 BDADRP CCCCC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC001253562500 969232701 /nfs/dbraw/zinc/23/27/01/969232701.db2.gz DMPHZZITQXSBRS-MELADBBJSA-N 2 0 242.407 1.857 20 0 BDADRP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](C[C@@H](O)C(C)(C)C)C2 ZINC001253731116 969354021 /nfs/dbraw/zinc/35/40/21/969354021.db2.gz LYUSOEWKBVPNFX-YRGRVCCFSA-N 2 0 240.391 1.277 20 0 BDADRP C[NH+](C)[C@H]1CC[C@H]([NH2+]C[C@@H](O)C(C)(C)C)CC1 ZINC001253747819 969364429 /nfs/dbraw/zinc/36/44/29/969364429.db2.gz VJVAHHNQZYOPQG-JHJVBQTASA-N 2 0 242.407 1.856 20 0 BDADRP CC[C@H](C)[C@@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169094516 969382815 /nfs/dbraw/zinc/38/28/15/969382815.db2.gz MASQDIRDIOPWBJ-QSLWVIQJSA-N 2 0 240.391 1.608 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H]1CCCOC1)C2 ZINC001169094548 969387800 /nfs/dbraw/zinc/38/78/00/969387800.db2.gz MKJBPCYVSRPMMB-SYQHCUMBSA-N 2 0 238.375 1.628 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc[nH]c(=O)c1)C2 ZINC001169099157 969389952 /nfs/dbraw/zinc/38/99/52/969389952.db2.gz OHXFURQORISAIS-CLLJXQQHSA-N 2 0 247.342 1.502 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CSC1)C2 ZINC001169098203 969391890 /nfs/dbraw/zinc/39/18/90/969391890.db2.gz GSRFCMIQAZNOCQ-GUDFOSOFSA-N 2 0 212.362 1.317 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1cc(CC[NH3+])cn1)C2 ZINC001169097840 969392487 /nfs/dbraw/zinc/39/24/87/969392487.db2.gz CLDCPDOHDXUURE-ITGUQSILSA-N 2 0 234.347 1.182 20 0 BDADRP CCC[C@@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169098390 969392787 /nfs/dbraw/zinc/39/27/87/969392787.db2.gz HAVQRWIRMGXXNH-ZDEQEGDKSA-N 2 0 226.364 1.362 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1ccccn1)C2 ZINC001169077912 969396848 /nfs/dbraw/zinc/39/68/48/969396848.db2.gz BLSHPKCYCQOKPC-QKDCVEJESA-N 2 0 245.370 1.839 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(O)CCCC1)C2 ZINC001169079186 969399692 /nfs/dbraw/zinc/39/96/92/969399692.db2.gz JNTNTCNNMLPQEQ-CLLJXQQHSA-N 2 0 238.375 1.506 20 0 BDADRP C[NH+](C)CCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169080399 969403576 /nfs/dbraw/zinc/40/35/76/969403576.db2.gz NDXVBZKVEVGYFH-CLLJXQQHSA-N 2 0 225.380 1.153 20 0 BDADRP COCCCC[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001209219134 969404709 /nfs/dbraw/zinc/40/47/09/969404709.db2.gz GYRYGNNKDZGPCL-UHFFFAOYSA-N 2 0 226.364 1.441 20 0 BDADRP COC(=O)CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169079802 969405250 /nfs/dbraw/zinc/40/52/50/969405250.db2.gz LQNRJDGBZPPRDV-ZSBIGDGJSA-N 2 0 240.347 1.154 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)C2 ZINC001169090889 969410158 /nfs/dbraw/zinc/41/01/58/969410158.db2.gz NGGJODPQQHRGRN-RGDJUOJXSA-N 2 0 238.375 1.505 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H](CO)C1)C2 ZINC001169122760 969421640 /nfs/dbraw/zinc/42/16/40/969421640.db2.gz CYCMYMKBEYHOIX-MQYQWHSLSA-N 2 0 238.375 1.316 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@]1(C)CCCOC1)C2 ZINC001169125348 969427592 /nfs/dbraw/zinc/42/75/92/969427592.db2.gz ZPFUFTYUWFWXHA-FQUUOJAGSA-N 2 0 238.375 1.770 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H](O)C1)C2 ZINC001169125352 969428804 /nfs/dbraw/zinc/42/88/04/969428804.db2.gz ZQTKBZZXHCFVJQ-MROQNXINSA-N 2 0 224.348 1.068 20 0 BDADRP COC[C@@H]1CCC[N@@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169126418 969431175 /nfs/dbraw/zinc/43/11/75/969431175.db2.gz SVOXVWLFCBSXJE-CRWXNKLISA-N 2 0 238.375 1.722 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCC[C@H](O)C1)C2 ZINC001169126163 969432226 /nfs/dbraw/zinc/43/22/26/969432226.db2.gz QMCFDZHYPODNJJ-CRWXNKLISA-N 2 0 238.375 1.458 20 0 BDADRP CC(C)[C@H](CCO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169107425 969448003 /nfs/dbraw/zinc/44/80/03/969448003.db2.gz GMWZRWSJVLPFRM-FQUUOJAGSA-N 2 0 240.391 1.608 20 0 BDADRP CC[C@H]1COCCN1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169142609 969455668 /nfs/dbraw/zinc/45/56/68/969455668.db2.gz DLISBCALWCVGQV-IGQOVBAYSA-N 2 0 238.375 1.722 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1COC(C)(C)C1)C2 ZINC001169112678 969457192 /nfs/dbraw/zinc/45/71/92/969457192.db2.gz RQXKNYCOWZQRBD-LPWJVIDDSA-N 2 0 238.375 1.769 20 0 BDADRP COC[C@H]1CC[N@@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169160102 969478953 /nfs/dbraw/zinc/47/89/53/969478953.db2.gz AUWLOQOHCSDFAB-YVECIDJPSA-N 2 0 224.348 1.332 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cc[nH]c2)CCC[C@@H]1C[NH3+] ZINC001206004175 969479556 /nfs/dbraw/zinc/47/95/56/969479556.db2.gz QWXQRZLYTKXSGD-DGCLKSJQSA-N 2 0 221.348 1.822 20 0 BDADRP CC[NH+]1CCC([NH2+]CCn2cccc2)CC1 ZINC001169221471 969494994 /nfs/dbraw/zinc/49/49/94/969494994.db2.gz HLUFISQJYHRAOI-UHFFFAOYSA-N 2 0 221.348 1.562 20 0 BDADRP CCC[N@H+]1C[C@@H]2C[NH+](C[C@@H]3C[C@@H]3C)C[C@@H]2C1 ZINC001209430014 969502946 /nfs/dbraw/zinc/50/29/46/969502946.db2.gz IYICIFHLGUBVEF-XDQVBPFNSA-N 2 0 222.376 1.916 20 0 BDADRP CC[NH+]1CCC(N2CCC[C@H]2C[NH+](C)C)CC1 ZINC001169258118 969541822 /nfs/dbraw/zinc/54/18/22/969541822.db2.gz CPFCDXOTPIVKCY-AWEZNQCLSA-N 2 0 239.407 1.497 20 0 BDADRP C[NH+](C)CCCCC[NH2+][C@@H]1CCCOC1 ZINC001254362484 969574911 /nfs/dbraw/zinc/57/49/11/969574911.db2.gz NOQXCSSLFMCCMB-GFCCVEGCSA-N 2 0 214.353 1.487 20 0 BDADRP CCCC[N@H+](C)CCC[NH2+][C@H]1CCCOC1 ZINC001254367788 969580531 /nfs/dbraw/zinc/58/05/31/969580531.db2.gz MAMFILHUMZSKPC-ZDUSSCGKSA-N 2 0 228.380 1.877 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCOC2)[C@H](C)C1 ZINC001254374823 969588078 /nfs/dbraw/zinc/58/80/78/969588078.db2.gz LVDOZFIXYJYSNN-HZSPNIEDSA-N 2 0 240.391 1.874 20 0 BDADRP CC(C)[N@H+](C)[C@@H]1CCN(Cc2c[nH+]ccc2N)C1 ZINC001209733436 969595270 /nfs/dbraw/zinc/59/52/70/969595270.db2.gz XFFFLWPDSIOYNS-CYBMUJFWSA-N 2 0 248.374 1.409 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+]([C@@H]3CCCOC3)C[C@@H]2C1 ZINC001254381913 969597177 /nfs/dbraw/zinc/59/71/77/969597177.db2.gz ZIIUQBHBTJLOBJ-FRRDWIJNSA-N 2 0 224.348 1.049 20 0 BDADRP COCC(C)(C)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001254500120 969659278 /nfs/dbraw/zinc/65/92/78/969659278.db2.gz FMMPVMUKYRWCQD-LLVKDONJSA-N 2 0 214.353 1.485 20 0 BDADRP Cc1ncn([C@@H]2CCC[N@@H+](C)CC2)c1CC[NH3+] ZINC001254500132 969663719 /nfs/dbraw/zinc/66/37/19/969663719.db2.gz FUIHQUFJMDZNQT-GFCCVEGCSA-N 2 0 236.363 1.350 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+]C[C@@H](O)c2cccnc2)CC1 ZINC001254505511 969674844 /nfs/dbraw/zinc/67/48/44/969674844.db2.gz HRQLKRJMIVAKFE-UONOGXRCSA-N 2 0 249.358 1.189 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccccc2C[NH3+])CC1 ZINC001254506826 969676033 /nfs/dbraw/zinc/67/60/33/969676033.db2.gz AYNHMAFNYIKLOT-HNNXBMFYSA-N 3 0 247.386 1.719 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+]CCc2ccncn2)CC1 ZINC001254513526 969677871 /nfs/dbraw/zinc/67/78/71/969677871.db2.gz CWODGUMMJHRRML-LBPRGKRZSA-N 2 0 234.347 1.093 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH+]2CCC[C@H](CO)CC2)CC1 ZINC001254516343 969685745 /nfs/dbraw/zinc/68/57/45/969685745.db2.gz LYTDQJPMNMCMPG-KBPBESRZSA-N 2 0 240.391 1.565 20 0 BDADRP CO[C@H]1CCC[N@@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254515765 969692252 /nfs/dbraw/zinc/69/22/52/969692252.db2.gz CMVSBJUPGULHHZ-OLZOCXBDSA-N 2 0 226.364 1.582 20 0 BDADRP C[N@@H+]1CCC[C@@H](n2ncc3c2CC[NH2+]C3)CC1 ZINC001254518974 969699310 /nfs/dbraw/zinc/69/93/10/969699310.db2.gz FVRYOKFKZYSHKV-GFCCVEGCSA-N 2 0 234.347 1.186 20 0 BDADRP C[N@H+](C[C@@H]1CCCCO1)[C@H]1CCC[NH+](C)CC1 ZINC001254522580 969710072 /nfs/dbraw/zinc/71/00/72/969710072.db2.gz HKIXQACJLYXNDO-KBPBESRZSA-N 2 0 240.391 1.972 20 0 BDADRP CC[N@@H+]1C[C@@H]2C[C@H]1CN2[C@H]1CCC[NH+](C)CC1 ZINC001254531084 969725274 /nfs/dbraw/zinc/72/52/74/969725274.db2.gz CXCNWUCTCLYSRX-IHRRRGAJSA-N 2 0 237.391 1.249 20 0 BDADRP CCN(CCC[NH+](C)C)[C@H]1CCC[N@H+](C)CC1 ZINC001254531386 969731288 /nfs/dbraw/zinc/73/12/88/969731288.db2.gz KHSKWSYTXPUKJE-AWEZNQCLSA-N 2 0 241.423 1.744 20 0 BDADRP [NH3+]Cc1cccc(NCC[C@H]2CCC[NH2+]2)n1 ZINC001169568646 969765875 /nfs/dbraw/zinc/76/58/75/969765875.db2.gz FNLREHLKUZLIOO-SNVBAGLBSA-N 2 0 220.320 1.094 20 0 BDADRP Cc1cc(-n2c[nH+]cc2N)ccc1N(C)C ZINC001210042837 969772963 /nfs/dbraw/zinc/77/29/63/969772963.db2.gz MYIOVMCGDLMQFC-UHFFFAOYSA-N 2 0 216.288 1.829 20 0 BDADRP C[NH+](C)CCCN[C@H]1CC2CC[NH+](CC2)C1 ZINC001254829312 969793052 /nfs/dbraw/zinc/79/30/52/969793052.db2.gz CINOBAIGOYTWFB-ZDUSSCGKSA-N 2 0 225.380 1.012 20 0 BDADRP [NH3+]Cc1cccn1[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254835224 969799477 /nfs/dbraw/zinc/79/94/77/969799477.db2.gz FMJDHCOTANBHEO-CYBMUJFWSA-N 2 0 219.332 1.604 20 0 BDADRP Cn1c[nH+]cc1NCC12CC[NH+](CC1)CC2 ZINC001169795113 969861305 /nfs/dbraw/zinc/86/13/05/969861305.db2.gz HFRSJQSJPQITDB-UHFFFAOYSA-N 2 0 220.320 1.318 20 0 BDADRP C[C@H]1CCN(C[C@@H]([NH3+])c2ccccc2)CC[NH2+]1 ZINC001210475806 969900401 /nfs/dbraw/zinc/90/04/01/969900401.db2.gz PERBZRHIJBSECP-GXTWGEPZSA-N 2 0 233.359 1.370 20 0 BDADRP C[C@@H]1CCN(Cc2ccc(C[NH3+])cc2)CC[NH2+]1 ZINC001210499679 969909307 /nfs/dbraw/zinc/90/93/07/969909307.db2.gz VMVQASBCWZACRA-GFCCVEGCSA-N 2 0 233.359 1.329 20 0 BDADRP CN(C)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCSC1 ZINC001255270886 970023822 /nfs/dbraw/zinc/02/38/22/970023822.db2.gz MVRREUITUCFBMO-WOPDTQHZSA-N 2 0 228.405 1.954 20 0 BDADRP [NH3+]CCC1CCC([NH2+][C@H]2CCSC2)CC1 ZINC001255274570 970025917 /nfs/dbraw/zinc/02/59/17/970025917.db2.gz NBGBXMPGZMWPAR-MCIGGMRASA-N 2 0 228.405 1.989 20 0 BDADRP [NH3+]Cc1ccccc1C[NH2+][C@H]1CCSC1 ZINC001255275768 970026563 /nfs/dbraw/zinc/02/65/63/970026563.db2.gz BAWAVBMESZJSFP-LBPRGKRZSA-N 2 0 222.357 1.740 20 0 BDADRP [NH3+]CCCCCCC[NH2+][C@@H]1CCSC1 ZINC001255277827 970029068 /nfs/dbraw/zinc/02/90/68/970029068.db2.gz XIKBGGZQTZEBMC-LLVKDONJSA-N 2 0 216.394 1.991 20 0 BDADRP CCN1CCC([N@H+](C)[C@@H]2CCSC2)CC1 ZINC001255289984 970046396 /nfs/dbraw/zinc/04/63/96/970046396.db2.gz UUEJMEVUSVAZEB-GFCCVEGCSA-N 2 0 228.405 1.908 20 0 BDADRP [NH3+][C@H]1CCc2c1cccc2NC[C@@H]1COCC[NH2+]1 ZINC001170048144 970084280 /nfs/dbraw/zinc/08/42/80/970084280.db2.gz VZSPLVRXBUJPKG-MFKMUULPSA-N 2 0 247.342 1.033 20 0 BDADRP [NH3+][C@@H]1CCc2c1cccc2NC[C@@H]1COCC[NH2+]1 ZINC001170048145 970085818 /nfs/dbraw/zinc/08/58/18/970085818.db2.gz VZSPLVRXBUJPKG-ZWNOBZJWSA-N 2 0 247.342 1.033 20 0 BDADRP OCC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255377862 970125951 /nfs/dbraw/zinc/12/59/51/970125951.db2.gz LUVPQQYEFXGLEH-OAHLLOKOSA-N 2 0 248.370 1.623 20 0 BDADRP C[N@@H+]1CC[C@H](n2nc(C[NH3+])c3ccccc32)C1 ZINC001255413088 970136331 /nfs/dbraw/zinc/13/63/31/970136331.db2.gz XBEOCEXANNDYEA-JTQLQIEISA-N 2 0 230.315 1.372 20 0 BDADRP C[N@@H+]1CC[C@@H](NC2CC[NH+](C3CCC3)CC2)C1 ZINC001255417726 970140038 /nfs/dbraw/zinc/14/00/38/970140038.db2.gz OOLREYJBMVFDBZ-CYBMUJFWSA-N 2 0 237.391 1.297 20 0 BDADRP C[N@@H+]1CC[C@H](N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC001255436115 970163850 /nfs/dbraw/zinc/16/38/50/970163850.db2.gz PCNFBMSLGUCKSK-UONOGXRCSA-N 2 0 237.391 1.251 20 0 BDADRP CCN(CC[NH+]1CCCCC1)[C@@H]1CC[N@H+](C)C1 ZINC001255439544 970170953 /nfs/dbraw/zinc/17/09/53/970170953.db2.gz VEEIGFPSCPZAQZ-CQSZACIVSA-N 2 0 239.407 1.498 20 0 BDADRP C[C@@H]([NH3+])c1ccn([C@@H]2CCC[N@H+](C)C2)n1 ZINC001255471833 970192226 /nfs/dbraw/zinc/19/22/26/970192226.db2.gz HUYBLKQSSORFEY-NXEZZACHSA-N 2 0 208.309 1.170 20 0 BDADRP C[N@@H+]1CCC[C@H](n2cc3cc(C[NH3+])ccc3n2)C1 ZINC001255470709 970198187 /nfs/dbraw/zinc/19/81/87/970198187.db2.gz OLQAHMYTMWVBHR-ZDUSSCGKSA-N 2 0 244.342 1.762 20 0 BDADRP C[N@@H+]1CCC[C@H](n2c(C[NH3+])nc3cnccc32)C1 ZINC001255476999 970212845 /nfs/dbraw/zinc/21/28/45/970212845.db2.gz JEDJOJJEMGXKOR-JTQLQIEISA-N 2 0 245.330 1.157 20 0 BDADRP CN1CCC[C@H]([NH2+][C@H]2CC[C@H]([NH+](C)C)CC2)C1 ZINC001255478234 970213110 /nfs/dbraw/zinc/21/31/10/970213110.db2.gz UUKXWMUXFBLKLU-IHRRRGAJSA-N 2 0 239.407 1.543 20 0 BDADRP CN(CC[NH+]1CCCC1)[C@H]1CCC[N@H+](C)C1 ZINC001255490958 970244592 /nfs/dbraw/zinc/24/45/92/970244592.db2.gz YQTBPMYGGSNGEZ-ZDUSSCGKSA-N 2 0 225.380 1.108 20 0 BDADRP C[C@H]1CC[C@@H](NC(=[NH2+])SCC[NH3+])C1 ZINC001170102836 970304628 /nfs/dbraw/zinc/30/46/28/970304628.db2.gz CXXZAPRRMOAKFX-JGVFFNPUSA-N 2 0 201.339 1.391 20 0 BDADRP C1=C(c2ccc([C@H]3CCC[NH2+]3)cn2)C[NH2+]C1 ZINC001243106944 970335229 /nfs/dbraw/zinc/33/52/29/970335229.db2.gz DEZBGQZKRXRYPH-GFCCVEGCSA-N 2 0 215.300 1.493 20 0 BDADRP c1nc(C2C[NH2+]C2)c2ccc(C3=CC[NH2+]C3)cn12 ZINC001243108093 970342915 /nfs/dbraw/zinc/34/29/15/970342915.db2.gz BWPYWOCCXYPAJW-UHFFFAOYSA-N 2 0 240.310 1.008 20 0 BDADRP C[C@@H]1CC[C@H](N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC001170145693 970434608 /nfs/dbraw/zinc/43/46/08/970434608.db2.gz VVWKHJVEAQDVSL-KGLIPLIRSA-N 2 0 241.423 1.600 20 0 BDADRP Cn1ncc2c1CCC[C@H]2[NH2+]CCC(C)(C)[NH3+] ZINC000302575772 970450002 /nfs/dbraw/zinc/45/00/02/970450002.db2.gz CNHDKKQDQKITCB-LLVKDONJSA-N 2 0 236.363 1.515 20 0 BDADRP Cc1ccc(C[C@H](C)[NH2+]CCOCC[NH3+])cc1 ZINC001255774590 970479280 /nfs/dbraw/zinc/47/92/80/970479280.db2.gz IVYPKJTVARUHAW-ZDUSSCGKSA-N 2 0 236.359 1.491 20 0 BDADRP C[C@@H]1CC[C@H]([NH+]2CC(N3CC[NH+](C)CC3)C2)C1 ZINC001170160461 970498686 /nfs/dbraw/zinc/49/86/86/970498686.db2.gz ZOKXJLKWQTXBNK-OLZOCXBDSA-N 2 0 237.391 1.107 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]CCCO ZINC001255939532 970570002 /nfs/dbraw/zinc/57/00/02/970570002.db2.gz GJCLOKFPYCQUQK-NSHDSACASA-N 2 0 202.342 1.079 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)n1nccc1C[NH3+] ZINC001255941928 970578106 /nfs/dbraw/zinc/57/81/06/970578106.db2.gz ZSUSPJCOKFQISC-LLVKDONJSA-N 2 0 224.352 1.635 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+][C@H]1C[C@H](O)C1(C)C ZINC001255949848 970584872 /nfs/dbraw/zinc/58/48/72/970584872.db2.gz BUDOJMOQWUPZDG-AVGNSLFASA-N 2 0 242.407 1.856 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]CC[C@@H](C)CO ZINC001255953360 970585726 /nfs/dbraw/zinc/58/57/26/970585726.db2.gz ZYPHVZROPPSHGP-CHWSQXEVSA-N 2 0 230.396 1.715 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCCOC1)C1CC[NH2+]CC1 ZINC000400475813 970591319 /nfs/dbraw/zinc/59/13/19/970591319.db2.gz ZQRSTEFXMBXLKN-VXGBXAGGSA-N 2 0 226.364 1.391 20 0 BDADRP [NH3+]Cc1cncn1C1CC[NH+](C2CC2)CC1 ZINC001256066419 970630942 /nfs/dbraw/zinc/63/09/42/970630942.db2.gz BKKFDHQHBPDNOZ-UHFFFAOYSA-N 2 0 220.320 1.141 20 0 BDADRP [NH3+]CCCc1nccn1C1CC[NH+](C2CC2)CC1 ZINC001256073507 970643836 /nfs/dbraw/zinc/64/38/36/970643836.db2.gz VMTBJZWFVDZGFS-UHFFFAOYSA-N 2 0 248.374 1.574 20 0 BDADRP CC[N@@H+]1C[C@@H]2C[C@H]1CN2C1CC[NH+](C2CC2)CC1 ZINC001256081947 970646899 /nfs/dbraw/zinc/64/68/99/970646899.db2.gz GOFLUMXOJLIESZ-GJZGRUSLSA-N 2 0 249.402 1.392 20 0 BDADRP Cc1c2[nH+]c[nH]c2ccc1NCC1C[NH+](C)C1 ZINC001170254503 970669494 /nfs/dbraw/zinc/66/94/94/970669494.db2.gz OFBXABWJPIQFDQ-UHFFFAOYSA-N 2 0 230.315 1.845 20 0 BDADRP C[NH+]1CCC(N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC001256198746 970692939 /nfs/dbraw/zinc/69/29/39/970692939.db2.gz SWTRGEUPTVYDLD-AWEZNQCLSA-N 2 0 237.391 1.155 20 0 BDADRP Cc1nc2c(n1C1CC[NH+](C)CC1)CC[NH2+]CC2 ZINC001256203822 970703332 /nfs/dbraw/zinc/70/33/32/970703332.db2.gz NJCGFVPBDCLWNP-UHFFFAOYSA-N 2 0 248.374 1.146 20 0 BDADRP CC[NH+](CC)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001256208375 970714925 /nfs/dbraw/zinc/71/49/25/970714925.db2.gz HNTFPXQGKHUZSJ-CQSZACIVSA-N 2 0 239.407 1.497 20 0 BDADRP C[C@H]1CN([C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[C@H]1C[NH3+] ZINC001246539841 972548317 /nfs/dbraw/zinc/54/83/17/972548317.db2.gz ITGLCBLLQXTJBN-VJTDZRGJSA-N 2 0 237.391 1.186 20 0 BDADRP [NH3+]CC1(F)CC[NH+](Cc2ccns2)CC1 ZINC001222543560 972558366 /nfs/dbraw/zinc/55/83/66/972558366.db2.gz YKKBMENEVYBLAC-UHFFFAOYSA-N 2 0 229.324 1.406 20 0 BDADRP Cc1ncoc1C[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222542511 972560524 /nfs/dbraw/zinc/56/05/24/972560524.db2.gz GKBCABBNVHATSY-UHFFFAOYSA-N 2 0 227.283 1.246 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@](F)(C[NH3+])CC2)CCO1 ZINC001246545318 972627823 /nfs/dbraw/zinc/62/78/23/972627823.db2.gz BFXKEIXTBAJZEP-JHJVBQTASA-N 2 0 244.354 1.707 20 0 BDADRP C[C@@H]1CC[C@@H](N2CCCC[C@@](C)(O)C2)C[NH2+]1 ZINC001246545688 972655050 /nfs/dbraw/zinc/65/50/50/972655050.db2.gz CILHGTSPYLHCDM-JHJVBQTASA-N 2 0 226.364 1.364 20 0 BDADRP C[C@@H]1CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1C[NH3+] ZINC001246547373 972671893 /nfs/dbraw/zinc/67/18/93/972671893.db2.gz CSWRJCXTBNEPDD-ZBBUEOHVSA-N 2 0 237.391 1.186 20 0 BDADRP CCC[NH+]1CCC(N2CCC[C@@H]([NH3+])CC2)CC1 ZINC001246549253 972697752 /nfs/dbraw/zinc/69/77/52/972697752.db2.gz WHQVLHJHXVJOFP-CYBMUJFWSA-N 2 0 239.407 1.674 20 0 BDADRP [NH3+][C@H]1CCCN(C2CC[NH+](C3CC3)CC2)CC1 ZINC001246550342 972699511 /nfs/dbraw/zinc/69/95/11/972699511.db2.gz XTHUZBBLVLTZOS-LBPRGKRZSA-N 2 0 237.391 1.426 20 0 BDADRP [NH3+][C@@H]1CCC[N@@H+](C2C[C@@H]3CC(=O)C[C@H]3C2)CC1 ZINC001246550967 972721994 /nfs/dbraw/zinc/72/19/94/972721994.db2.gz ZNIUGIKXECLFAR-IJLUTSLNSA-N 2 0 236.359 1.557 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CC[C@H](C)[C@@](C)(O)CC2)CC[NH2+]1 ZINC001246552780 972737794 /nfs/dbraw/zinc/73/77/94/972737794.db2.gz VEVBGGIMLQNCJZ-DGAVXFQQSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@]1([NH3+])CCC[N@@H+]([C@H]2CCCOCC2)CC1 ZINC001246553433 972751236 /nfs/dbraw/zinc/75/12/36/972751236.db2.gz RVWKXLZPNYQYLF-STQMWFEESA-N 2 0 226.364 1.759 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH3+])N([C@H]2CCC[NH2+]CC2)C1 ZINC001246556500 972765576 /nfs/dbraw/zinc/76/55/76/972765576.db2.gz JLJHHKMPVILWSX-AGIUHOORSA-N 2 0 225.380 1.188 20 0 BDADRP C[NH2+]C1CCC([N@@H+]2C[C@@H](C)CC[C@@H]2CN)CC1 ZINC001246561387 972794743 /nfs/dbraw/zinc/79/47/43/972794743.db2.gz WWYHEWPTJCMDFQ-GFJIZPEISA-N 2 0 239.407 1.576 20 0 BDADRP C[C@@H]1CC[C@@H](N2CCC(F)(F)[C@@H](C[NH3+])C2)C[NH2+]1 ZINC001246561672 972795682 /nfs/dbraw/zinc/79/56/82/972795682.db2.gz SABBTADPWPUBRW-OUAUKWLOSA-N 2 0 247.333 1.043 20 0 BDADRP COC[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001246564119 972803837 /nfs/dbraw/zinc/80/38/37/972803837.db2.gz YWOJZCOCPKYQSS-SDDRHHMPSA-N 2 0 214.353 1.328 20 0 BDADRP CSCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246566091 972813982 /nfs/dbraw/zinc/81/39/82/972813982.db2.gz FGAQZWYDBBXHFT-OPRDCNLKSA-N 2 0 202.367 1.407 20 0 BDADRP C[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2)CCC[C@@H]1C[NH3+] ZINC001246569695 972822855 /nfs/dbraw/zinc/82/28/55/972822855.db2.gz RXMVFMXUZAWVDG-MGPQQGTHSA-N 2 0 239.407 1.387 20 0 BDADRP COC(=O)CCCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246568891 972826603 /nfs/dbraw/zinc/82/66/03/972826603.db2.gz SUFKVGFAVDXRJW-GRYCIOLGSA-N 2 0 242.363 1.387 20 0 BDADRP C[C@@H]1CN(C2CC[NH+](CC3CC3)CC2)C[C@H]1[NH3+] ZINC001246570172 972837901 /nfs/dbraw/zinc/83/79/01/972837901.db2.gz ZXNHEGZFDDHHSC-BXUZGUMPSA-N 2 0 237.391 1.140 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N1C[C@H]([NH3+])C[C@@H](F)C1 ZINC001246572396 972853733 /nfs/dbraw/zinc/85/37/33/972853733.db2.gz GVILUZJIQVBRBO-YNEHKIRRSA-N 2 0 245.386 1.478 20 0 BDADRP CC[C@@H]1C[C@H](N2CC[NH2+][C@@H](C)C2)C[C@H](CC)[NH2+]1 ZINC001246573241 972862282 /nfs/dbraw/zinc/86/22/82/972862282.db2.gz IIVSRQIDSBOQER-IGQOVBAYSA-N 2 0 239.407 1.589 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N2CC[NH2+]C[C@@H](C)C2)CC[NH2+]1 ZINC001246573539 972869077 /nfs/dbraw/zinc/86/90/77/972869077.db2.gz RULHGLOBRSRYTB-RDBSUJKOSA-N 2 0 239.407 1.304 20 0 BDADRP C[C@H]1C[N@@H+](C2CCC3(CC[NH2+]C3)CC2)CCN1 ZINC001246577900 972896179 /nfs/dbraw/zinc/89/61/79/972896179.db2.gz UMPXIAQDZSFRSS-HSBZDZAISA-N 2 0 237.391 1.202 20 0 BDADRP CC[C@@H](C)C[C@H](CC)[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246579873 972914298 /nfs/dbraw/zinc/91/42/98/972914298.db2.gz HMMUSGYRGBYLFM-MROQNXINSA-N 2 0 228.380 1.453 20 0 BDADRP C[NH2+]C1CCC([N@@H+]2CCC(F)(F)[C@H](N)C2)CC1 ZINC001246582905 972939961 /nfs/dbraw/zinc/93/99/61/972939961.db2.gz OSVDGHIDCDXHQX-VQXHTEKXSA-N 2 0 247.333 1.185 20 0 BDADRP CC1(C)CCC[C@H]([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)C1 ZINC001246586955 972981799 /nfs/dbraw/zinc/98/17/99/972981799.db2.gz UWFWWDCRMNCIBR-SRVKXCTJSA-N 2 0 226.364 1.207 20 0 BDADRP CC(C)N([C@@H]1C[NH2+][C@H](C)C1)[C@H]1CCC[NH2+]CC1 ZINC001246598048 973012669 /nfs/dbraw/zinc/01/26/69/973012669.db2.gz ZLFBOEDMFGJAEX-RDBSUJKOSA-N 2 0 239.407 1.589 20 0 BDADRP CC(C)N([C@H]1C[NH2+][C@H](C)C1)[C@H]1CCC[NH2+]CC1 ZINC001246598035 973012690 /nfs/dbraw/zinc/01/26/90/973012690.db2.gz ZLFBOEDMFGJAEX-HZSPNIEDSA-N 2 0 239.407 1.589 20 0 BDADRP CC[C@H]1CC(N2CCC23C[NH2+]C3)C[C@H](CC)[NH2+]1 ZINC001246602896 973023451 /nfs/dbraw/zinc/02/34/51/973023451.db2.gz DMBAOUNRRMWEMG-RYUDHWBXSA-N 2 0 237.391 1.343 20 0 BDADRP C1C[NH2+][C@]2(C1)CCCN([C@H]1CCC[NH2+]C1)CC2 ZINC001246629673 973045749 /nfs/dbraw/zinc/04/57/49/973045749.db2.gz FVPPOIWHHAUHGT-UONOGXRCSA-N 2 0 237.391 1.347 20 0 BDADRP CC[C@H]1CN([C@H]2CC[NH2+][C@@H](C(C)C)C2)CC[NH2+]1 ZINC001246801595 973100026 /nfs/dbraw/zinc/10/00/26/973100026.db2.gz HWKROZAGEPNZDL-MELADBBJSA-N 2 0 239.407 1.447 20 0 BDADRP CC[C@H]1CN([C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC001246805317 973100642 /nfs/dbraw/zinc/10/06/42/973100642.db2.gz SVXLNUMCFGJKPF-RNJOBUHISA-N 2 0 225.380 1.199 20 0 BDADRP CC[C@@H]1C[C@@H](N2CC[NH2+][C@@H](CC)C2)CC[NH2+]1 ZINC001246803104 973101395 /nfs/dbraw/zinc/10/13/95/973101395.db2.gz MJBSPCFNASPDSY-AGIUHOORSA-N 2 0 225.380 1.201 20 0 BDADRP CCN(CC[NH+]1CCCC1)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246797692 973105205 /nfs/dbraw/zinc/10/52/05/973105205.db2.gz PQSOLJRVEUEIRS-ZIAGYGMSSA-N 2 0 239.407 1.545 20 0 BDADRP COC(=O)[C@H]1CCC[N@H+](C2CC[NH2+]CC2)[C@H]1C ZINC001246825095 973118347 /nfs/dbraw/zinc/11/83/47/973118347.db2.gz UCJVQJKUDVHCJW-JQWIXIFHSA-N 2 0 240.347 1.012 20 0 BDADRP CC[C@@H](Cc1ccccc1)N(CC[NH3+])CC[NH3+] ZINC001246835266 973130338 /nfs/dbraw/zinc/13/03/38/973130338.db2.gz WIHXBYJWXVGLSO-AWEZNQCLSA-N 2 0 235.375 1.227 20 0 BDADRP [NH3+][C@]12CC[C@H]1CN([C@@H]1CC[NH2+]C3(CCC3)C1)C2 ZINC001246856514 973170545 /nfs/dbraw/zinc/17/05/45/973170545.db2.gz XMRJGNRZFYUJAY-SCRDCRAPSA-N 2 0 235.375 1.084 20 0 BDADRP [NH3+][C@]12CC[C@@H]1C[N@@H+]([C@H]1CCC3(C1)CC[NH2+]CC3)C2 ZINC001246860591 973179921 /nfs/dbraw/zinc/17/99/21/973179921.db2.gz NLBFDZWZWUHPHA-IPYPFGDCSA-N 3 0 249.402 1.332 20 0 BDADRP [NH3+][C@]12CC[C@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC001246864165 973182897 /nfs/dbraw/zinc/18/28/97/973182897.db2.gz UOZZDIHPYSOAHC-ZFWWWQNUSA-N 2 0 228.339 1.577 20 0 BDADRP C[NH2+][C@@H](C)CC[NH2+]Cc1c(C)nc2ccccn21 ZINC001328677491 973259310 /nfs/dbraw/zinc/25/93/10/973259310.db2.gz PWIJSNHZDOAMBG-NSHDSACASA-N 2 0 246.358 1.730 20 0 BDADRP CC(C)[C@H]1C[C@@H](N2CCC[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC001246876682 973266034 /nfs/dbraw/zinc/26/60/34/973266034.db2.gz LTQRNJZQBFUBII-MELADBBJSA-N 2 0 239.407 1.447 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2CCC[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC001246876684 973269468 /nfs/dbraw/zinc/26/94/68/973269468.db2.gz LTQRNJZQBFUBII-MJBXVCDLSA-N 2 0 239.407 1.447 20 0 BDADRP COC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246875725 973307745 /nfs/dbraw/zinc/30/77/45/973307745.db2.gz LIWMOJBHNZBWTM-RQICVUQASA-N 2 0 238.375 1.769 20 0 BDADRP C1[NH2+]CC12C[C@@H]([N@@H+]1[C@H]3CC[C@@H]1CCC3)CCN2 ZINC001246883069 973326555 /nfs/dbraw/zinc/32/65/55/973326555.db2.gz ULSCAOZQWFNSQV-XQQFMLRXSA-N 2 0 235.375 1.097 20 0 BDADRP C[N@H+](CCO)C1CC[NH+](C(C)(C)C)CC1 ZINC001246914014 973444185 /nfs/dbraw/zinc/44/41/85/973444185.db2.gz RUYMDNSXIJAOMJ-UHFFFAOYSA-N 2 0 214.353 1.173 20 0 BDADRP C[C@@H]1CC(N2CCC[C@@H]([NH3+])[C@@H]2C)C[C@@H](C)[NH2+]1 ZINC001246937506 973636276 /nfs/dbraw/zinc/63/62/76/973636276.db2.gz IGVBREDMLXAXFM-HNCHTBHHSA-N 2 0 225.380 1.327 20 0 BDADRP C[C@H]([NH3+])CN(C)[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246981779 973751543 /nfs/dbraw/zinc/75/15/43/973751543.db2.gz RFRFWCSHQODFOX-AEGPPILISA-N 2 0 247.386 1.759 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C1(C)C ZINC000234858806 973777868 /nfs/dbraw/zinc/77/78/68/973777868.db2.gz JOUPHPIVWJOOLU-FVCCEPFGSA-N 2 0 240.391 1.907 20 0 BDADRP CC[C@H](C(=O)NCC[C@H](C)[NH2+]C)[NH+](CC)CC ZINC001329564182 973829420 /nfs/dbraw/zinc/82/94/20/973829420.db2.gz ILXFDFMDUKSQFD-NWDGAFQWSA-N 2 0 243.395 1.221 20 0 BDADRP C[C@H](CCCC[NH3+])NC(=O)[C@H](C)n1ccnc1 ZINC001329569690 973833150 /nfs/dbraw/zinc/83/31/50/973833150.db2.gz OOEMFPGILWCKDF-MNOVXSKESA-N 2 0 238.335 1.078 20 0 BDADRP C(CO[C@@H]1C[NH+]2CCC1CC2)C[NH+]1CCCC1 ZINC001224745088 973906015 /nfs/dbraw/zinc/90/60/15/973906015.db2.gz WNNMOBSJZCIYEL-CQSZACIVSA-N 2 0 238.375 1.583 20 0 BDADRP C[NH+]1C(C)(C)CC(N[C@@H]2C[C@H]2[NH3+])CC1(C)C ZINC001171623090 974116431 /nfs/dbraw/zinc/11/64/31/974116431.db2.gz KEUQBEKUYHBUGS-GHMZBOCLSA-N 2 0 225.380 1.327 20 0 BDADRP C[NH+](C)CCCCO[C@H]1CCC[N@H+](C)CC1 ZINC001224991780 974121581 /nfs/dbraw/zinc/12/15/81/974121581.db2.gz AWDTYOMJALNUCQ-ZDUSSCGKSA-N 2 0 228.380 1.829 20 0 BDADRP C[NH+](C)CCCCO[C@H]1CC[N@H+](C)C1 ZINC001224991982 974121885 /nfs/dbraw/zinc/12/18/85/974121885.db2.gz GVAZBJTZXALGDQ-NSHDSACASA-N 2 0 200.326 1.049 20 0 BDADRP C[NH+](C)CC(C)(C)CN1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206154047 974316832 /nfs/dbraw/zinc/31/68/32/974316832.db2.gz GOGNMNIOJPFYQG-VXGBXAGGSA-N 2 0 245.386 1.335 20 0 BDADRP C[NH+](C)CC(C)(C)CN1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206154046 974319581 /nfs/dbraw/zinc/31/95/81/974319581.db2.gz GOGNMNIOJPFYQG-RYUDHWBXSA-N 2 0 245.386 1.335 20 0 BDADRP N[C@@H]1CC[N@H+](C[C@@H]2CCCOC2)CC[C@H]1F ZINC001206154251 974325911 /nfs/dbraw/zinc/32/59/11/974325911.db2.gz HYYNFLXSIPWMKW-QJPTWQEYSA-N 2 0 230.327 1.174 20 0 BDADRP C[NH+](C)CCCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172099167 974338843 /nfs/dbraw/zinc/33/88/43/974338843.db2.gz GHGCLWDKUJIKTK-BTTYYORXSA-N 2 0 239.407 1.543 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC(C)(C)CO)C2 ZINC001172100607 974343750 /nfs/dbraw/zinc/34/37/50/974343750.db2.gz QKARKVZAELDKHO-XYYAHUGASA-N 2 0 240.391 1.610 20 0 BDADRP COC[C@H]1CC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172130080 974352389 /nfs/dbraw/zinc/35/23/89/974352389.db2.gz HAGCLHZMQYZXSS-RQJABVFESA-N 2 0 238.375 1.722 20 0 BDADRP C[N@@H+]1C[C@@H]2C[C@H]1CN2[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172126880 974352727 /nfs/dbraw/zinc/35/27/27/974352727.db2.gz ZCYCRIOTUDWTNY-AICCOOGYSA-N 2 0 249.402 1.390 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCC1COC1)C2 ZINC001172106015 974366882 /nfs/dbraw/zinc/36/68/82/974366882.db2.gz MHLYJLVTJFMCBD-BTTYYORXSA-N 2 0 238.375 1.628 20 0 BDADRP CCc1cc(CN2CC[C@H]([NH3+])[C@@H](F)CC2)on1 ZINC001206157187 974371901 /nfs/dbraw/zinc/37/19/01/974371901.db2.gz XEAPEHJLEURPHO-RYUDHWBXSA-N 2 0 241.310 1.498 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC(C)([NH3+])C1)C2 ZINC001172108429 974375764 /nfs/dbraw/zinc/37/57/64/974375764.db2.gz ADWTVGDICCNATJ-GDNZZTSVSA-N 2 0 223.364 1.035 20 0 BDADRP CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1[C@@H]3COC[C@@H]31)C2 ZINC001172111153 974377201 /nfs/dbraw/zinc/37/72/01/974377201.db2.gz SQTVJDHMGJWESQ-DBTFEGCXSA-N 2 0 236.359 1.236 20 0 BDADRP C[NH+](C)CCC[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172228665 974467341 /nfs/dbraw/zinc/46/73/41/974467341.db2.gz ASMJNZJMZCOYTO-YOGCLGLASA-N 2 0 210.321 1.014 20 0 BDADRP C[NH+](C)C1CC[NH+](C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172239981 974502826 /nfs/dbraw/zinc/50/28/26/974502826.db2.gz IWMDSGOWIPVOCR-AGUYFDCRSA-N 2 0 236.359 1.498 20 0 BDADRP COCCC[NH+]1CCC([NH2+][C@H]2C[C@@H]2C)CC1 ZINC001172243771 974510725 /nfs/dbraw/zinc/51/07/25/974510725.db2.gz SCTHAYHXRJZVBM-AAEUAGOBSA-N 2 0 226.364 1.485 20 0 BDADRP CC[C@H](C)OCC[C@H](C)N1CC[C@@H]([NH3+])C1 ZINC001172314800 974520906 /nfs/dbraw/zinc/52/09/06/974520906.db2.gz DUQPYLNNCMNPOA-SDDRHHMPSA-N 2 0 214.353 1.613 20 0 BDADRP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3COC(C)(C)C3)C[C@@H]2C1 ZINC001172287801 974551666 /nfs/dbraw/zinc/55/16/66/974551666.db2.gz CBBLXWJXTNMISP-TUAOUCFPSA-N 2 0 224.348 1.047 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CCC[N@H+](C)CCO)C[C@@H]1C ZINC001172365441 974641604 /nfs/dbraw/zinc/64/16/04/974641604.db2.gz BPQZXKJSYXUTJI-RDBSUJKOSA-N 2 0 242.407 1.715 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+]Cc1ccc2c(c1)ncn2C ZINC001331417451 974712377 /nfs/dbraw/zinc/71/23/77/974712377.db2.gz AZEDXLDSCJSHQD-LLVKDONJSA-N 2 0 246.358 1.661 20 0 BDADRP CCOCC[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001172434422 974723746 /nfs/dbraw/zinc/72/37/46/974723746.db2.gz WGTRSKQNEWMXMP-ZIAGYGMSSA-N 2 0 240.391 1.829 20 0 BDADRP CC(C)OCC[C@@H](C)[NH2+]C[C@@H](C)C[NH3+] ZINC001172439529 974794985 /nfs/dbraw/zinc/79/49/85/974794985.db2.gz FEYGSTPYWSIBRY-WDEREUQCSA-N 2 0 202.342 1.374 20 0 BDADRP [NH3+]CCOCC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172550891 974867307 /nfs/dbraw/zinc/86/73/07/974867307.db2.gz JAFFLVBBHSLPQI-CABCVRRESA-N 2 0 248.370 1.888 20 0 BDADRP CC[N@H+](C)C[C@@H](O)Cn1c(C)[nH+]c(C)c1C ZINC001332063496 974940319 /nfs/dbraw/zinc/94/03/19/974940319.db2.gz FYGPRYLBZKGWRD-GFCCVEGCSA-N 2 0 225.336 1.121 20 0 BDADRP CO[C@@H]1CCC[C@H]([N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC001172941972 975000320 /nfs/dbraw/zinc/00/03/20/975000320.db2.gz HJHSIPCQFSTRST-RFQIPJPRSA-N 2 0 238.375 1.437 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](C)C2)CCO1 ZINC001173168621 975060837 /nfs/dbraw/zinc/06/08/37/975060837.db2.gz RGZUYSPEHSGQBW-QJPTWQEYSA-N 2 0 212.337 1.095 20 0 BDADRP CC[C@H]1CC[C@@H]([NH+]2CCN(CC[NH3+])CC2)C1 ZINC001173268620 975136978 /nfs/dbraw/zinc/13/69/78/975136978.db2.gz ZEXTUONBPFMEDD-QWHCGFSZSA-N 2 0 225.380 1.141 20 0 BDADRP CCSC[C@H](C)NC(=[NH2+])SCC[NH3+] ZINC001173289362 975255530 /nfs/dbraw/zinc/25/55/30/975255530.db2.gz VAKMRQNAGRKOQE-ZETCQYMHSA-N 2 0 221.395 1.344 20 0 BDADRP CCN1CC[C@H]([NH2+][C@H]2CC[C@H]([NH+](C)C)CC2)C1 ZINC001173353226 975285067 /nfs/dbraw/zinc/28/50/67/975285067.db2.gz JXMQVYBZWVZUSE-IHRRRGAJSA-N 2 0 239.407 1.543 20 0 BDADRP CCCN(CCC[NH3+])[C@@H]1CC[N@H+](CC)C1 ZINC001173349549 975292952 /nfs/dbraw/zinc/29/29/52/975292952.db2.gz IEKDRJJGCHQDNA-GFCCVEGCSA-N 2 0 213.369 1.141 20 0 BDADRP CC[N@@H+]1CC[C@@H](n2nnc3ccc(C[NH3+])cc32)C1 ZINC001173354999 975309383 /nfs/dbraw/zinc/30/93/83/975309383.db2.gz LYNWCKWCRGRHFL-LLVKDONJSA-N 2 0 245.330 1.157 20 0 BDADRP CC[N@@H+]1CC[C@@H](NC(C)(C)CC[NH+](C)C)C1 ZINC001173355716 975309679 /nfs/dbraw/zinc/30/96/79/975309679.db2.gz UTKGWRGXSPEARF-GFCCVEGCSA-N 2 0 227.396 1.401 20 0 BDADRP CC[N@@H+]1CC[C@@H](N2CC[NH+]3CCCC[C@@H]3C2)C1 ZINC001173362430 975337533 /nfs/dbraw/zinc/33/75/33/975337533.db2.gz HBQUPSOPLBNRDG-ZIAGYGMSSA-N 2 0 237.391 1.251 20 0 BDADRP CCN1CC[C@@H]([NH+]2CCC(C[NH+](C)C)CC2)C1 ZINC001173363535 975338550 /nfs/dbraw/zinc/33/85/50/975338550.db2.gz OSQZXKVUHRZIQM-CQSZACIVSA-N 2 0 239.407 1.354 20 0 BDADRP COC(=O)CCCC[C@H](C)[NH2+]C[C@H](C)C[NH3+] ZINC001173446500 975389274 /nfs/dbraw/zinc/38/92/74/975389274.db2.gz WDIZMMFUBVTFDQ-MNOVXSKESA-N 2 0 230.352 1.293 20 0 BDADRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)C(C)(C)CO ZINC001333555827 975846997 /nfs/dbraw/zinc/84/69/97/975846997.db2.gz ROZXEHXOYLVPTB-GFCCVEGCSA-N 2 0 228.380 1.469 20 0 BDADRP CC[N@@H+]1CCC[C@H](CNc2cc[nH+]cc2CO)C1 ZINC001333645280 975926823 /nfs/dbraw/zinc/92/68/23/975926823.db2.gz DSHWCLPJLMPSPF-GFCCVEGCSA-N 2 0 249.358 1.140 20 0 BDADRP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3ccon3)C[C@@H]2C1 ZINC001333891624 976146250 /nfs/dbraw/zinc/14/62/50/976146250.db2.gz MIIIYJYMBBJDKT-SGMGOOAPSA-N 2 0 249.358 1.837 20 0 BDADRP CO[C@@H]1CC[C@@H]([NH2+][C@H]2CC[NH2+]C2(C)C)C1 ZINC001335252986 976900272 /nfs/dbraw/zinc/90/02/72/976900272.db2.gz QZURPIVDIHFGDF-MXWKQRLJSA-N 2 0 212.337 1.284 20 0 BDADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C[C@@H](O)C1CC1 ZINC001335930574 977369196 /nfs/dbraw/zinc/36/91/96/977369196.db2.gz VEDGFGRYZUBFKH-GXTWGEPZSA-N 2 0 240.391 1.611 20 0 BDADRP [NH3+]C[C@H]1C[C@H]([NH2+]C2CCN(CC(F)F)CC2)C1 ZINC001336262847 977605032 /nfs/dbraw/zinc/60/50/32/977605032.db2.gz RMEMSBMZXIJVLU-HOMQSWHASA-N 2 0 247.333 1.043 20 0 BDADRP COC(C)(C)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC001277584450 977794648 /nfs/dbraw/zinc/79/46/48/977794648.db2.gz JMEMUVPCECYVGP-CQSZACIVSA-N 2 0 240.391 1.829 20 0 BDADRP C[NH+](C)C1(C)CN(Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232016195 977845215 /nfs/dbraw/zinc/84/52/15/977845215.db2.gz UJZYUCZHQPIJEE-UHFFFAOYSA-N 2 0 244.342 1.699 20 0 BDADRP C[C@@H]([NH3+])CN1Cc2ccccc2N2CCC[C@@H]2C1 ZINC001336944549 978074780 /nfs/dbraw/zinc/07/47/80/978074780.db2.gz DJYVIQCHBWMRAF-TZMCWYRMSA-N 2 0 245.370 1.818 20 0 BDADRP OCc1c[nH+]ccc1N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC001336982526 978107276 /nfs/dbraw/zinc/10/72/76/978107276.db2.gz GUEYGFUBQJOAJU-KBPBESRZSA-N 2 0 247.342 1.035 20 0 BDADRP Cc1nc(C[NH+]2CCC3(C[NH+](C)C3)CC2)c[nH]1 ZINC001232465179 978113717 /nfs/dbraw/zinc/11/37/17/978113717.db2.gz XKNZXWIWPVEBSY-UHFFFAOYSA-N 2 0 234.347 1.246 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](CNc2nccnc2C[NH3+])C1 ZINC001337009085 978125902 /nfs/dbraw/zinc/12/59/02/978125902.db2.gz LTCJRNAIXWRFJT-LLVKDONJSA-N 2 0 249.362 1.078 20 0 BDADRP CC[NH+](CC)C[C@@H](C)OCCC[NH+](C)C ZINC001206285232 978196980 /nfs/dbraw/zinc/19/69/80/978196980.db2.gz DBVDDZWFOOBNGQ-GFCCVEGCSA-N 2 0 216.369 1.685 20 0 BDADRP C[NH+](C)CCCO[C@H]1CCC[N@H+](C)CC1 ZINC001206288238 978268127 /nfs/dbraw/zinc/26/81/27/978268127.db2.gz WZFCOZWETKFDGS-LBPRGKRZSA-N 2 0 214.353 1.439 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@H+](C[C@H]2CCCOC2)CC1 ZINC001206297526 978315281 /nfs/dbraw/zinc/31/52/81/978315281.db2.gz YTJRDHZEMUPKGW-ZIAGYGMSSA-N 2 0 240.391 1.864 20 0 BDADRP Cn1cccc1C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206296842 978317011 /nfs/dbraw/zinc/31/70/11/978317011.db2.gz VDLWSZFLWOYSDM-CQSZACIVSA-N 2 0 235.375 1.976 20 0 BDADRP CC(C)[N@@H+]1CCC[C@@H](OCC[NH+]2CCCC2)C1 ZINC001206308660 978409670 /nfs/dbraw/zinc/40/96/70/978409670.db2.gz FWSSOSBKDXGXEN-CQSZACIVSA-N 2 0 240.391 1.972 20 0 BDADRP O[C@H]1CC[N@@H+](C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001337665614 978449045 /nfs/dbraw/zinc/44/90/45/978449045.db2.gz TXHFQRTZBWBKND-AWEZNQCLSA-N 2 0 247.342 1.117 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cccc(N)n2)CC1 ZINC001206317875 978516780 /nfs/dbraw/zinc/51/67/80/978516780.db2.gz KENHCPKYHBLFKM-CQSZACIVSA-N 2 0 248.374 1.615 20 0 BDADRP CC[C@H]1C[C@H]([NH2+]CCCC[NH3+])CCO1 ZINC000069863236 978765707 /nfs/dbraw/zinc/76/57/07/978765707.db2.gz BUKZSAQFYVCFJN-MNOVXSKESA-N 2 0 200.326 1.273 20 0 BDADRP CCOCC[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001277856190 978834098 /nfs/dbraw/zinc/83/40/98/978834098.db2.gz HYQSTBKZETYFDM-UHFFFAOYSA-N 2 0 212.337 1.051 20 0 BDADRP C[C@H](C[NH+]1CCCCC1)Nc1nccnc1C[NH3+] ZINC001339531570 978866278 /nfs/dbraw/zinc/86/62/78/978866278.db2.gz DNMXBRWJFFWRMD-LLVKDONJSA-N 2 0 249.362 1.222 20 0 BDADRP Cc1csc(C[C@H]2CCN(C[C@@H](C)[NH3+])C2)n1 ZINC001339934736 978944136 /nfs/dbraw/zinc/94/41/36/978944136.db2.gz XBWQBEOQANPCCE-MWLCHTKSSA-N 2 0 239.388 1.663 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@@H](Nc3ccccn3)[C@@H]2C1 ZINC001339999995 978955338 /nfs/dbraw/zinc/95/53/38/978955338.db2.gz QZQDOGVFCHIOST-QJPTWQEYSA-N 2 0 217.316 1.834 20 0 BDADRP OCCCC[N@@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235041447 978958935 /nfs/dbraw/zinc/95/89/35/978958935.db2.gz QIKUSFZRZWPUCS-ZDUSSCGKSA-N 2 0 226.364 1.367 20 0 BDADRP [NH3+][C@@H]1C[C@H](F)CN(Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001206437478 978970192 /nfs/dbraw/zinc/97/01/92/978970192.db2.gz WCUARTLVPUKJIW-WDEREUQCSA-N 2 0 248.305 1.434 20 0 BDADRP C[C@H](N)C[N@@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235151322 978982006 /nfs/dbraw/zinc/98/20/06/978982006.db2.gz GEIBBWIYYJAJNH-WCQYABFASA-N 2 0 225.380 1.188 20 0 BDADRP CC1(C[N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)CCOCC1 ZINC001235166796 978987118 /nfs/dbraw/zinc/98/71/18/978987118.db2.gz VXPCILFDEXMSHF-WCQYABFASA-N 2 0 224.348 1.226 20 0 BDADRP OCCCC[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235230350 978998852 /nfs/dbraw/zinc/99/88/52/978998852.db2.gz BCVLCKQZDOSOBD-AWEZNQCLSA-N 2 0 240.391 1.613 20 0 BDADRP [NH3+]Cc1ccc(CN2C[C@H]3CCC[NH2+][C@H]3C2)cc1 ZINC001235219084 979000701 /nfs/dbraw/zinc/00/07/01/979000701.db2.gz QPXBYHWADYDBAB-CABCVRRESA-N 2 0 245.370 1.329 20 0 BDADRP C(C1CC2(C1)CC[NH2+]CC2)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001235292734 979019400 /nfs/dbraw/zinc/01/94/00/979019400.db2.gz IRWFGSPLTPBYOH-KGLIPLIRSA-N 2 0 249.402 1.202 20 0 BDADRP CC(C)[C@@H]1CNCC[N@@H+]1CCCCC[NH3+] ZINC001235452578 979050173 /nfs/dbraw/zinc/05/01/73/979050173.db2.gz HOYSXSIXNGPIHX-LBPRGKRZSA-N 2 0 213.369 1.045 20 0 BDADRP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3CC[NH3+])o1 ZINC001235491899 979055205 /nfs/dbraw/zinc/05/52/05/979055205.db2.gz SDHPHXFRLFOMGD-KGLIPLIRSA-N 2 0 249.358 1.195 20 0 BDADRP CC(C)[NH+]1CCC(C[N@H+](C)CCCCO)CC1 ZINC001235673520 979112038 /nfs/dbraw/zinc/11/20/38/979112038.db2.gz BOZRVQJWFMUUEF-UHFFFAOYSA-N 2 0 242.407 1.811 20 0 BDADRP C[C@H]([NH3+])CN1CCC(C2CC[NH+](C)CC2)CC1 ZINC001235728093 979134634 /nfs/dbraw/zinc/13/46/34/979134634.db2.gz YYJOQMUEWMREFQ-LBPRGKRZSA-N 2 0 239.407 1.387 20 0 BDADRP C[NH2+]CCCC(=O)Nc1cccc2c1C[NH2+]C2 ZINC001340881931 979138504 /nfs/dbraw/zinc/13/85/04/979138504.db2.gz QNALFLHMGYFASM-UHFFFAOYSA-N 2 0 233.315 1.228 20 0 BDADRP CN(Cc1ccc2c(c1)CC[NH2+]C2)[C@H]1CC[NH2+]C1 ZINC001235734497 979139666 /nfs/dbraw/zinc/13/96/66/979139666.db2.gz FGKRHKKHCFAMMF-HNNXBMFYSA-N 2 0 245.370 1.126 20 0 BDADRP CC[C@@H]1CNCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC001235769248 979144433 /nfs/dbraw/zinc/14/44/33/979144433.db2.gz PGBFYUFBTWPGEZ-CYBMUJFWSA-N 2 0 225.380 1.060 20 0 BDADRP COC(C)(C)[C@H]1CCC[N@@H+]1C[C@H](C)[NH3+] ZINC001235827842 979152813 /nfs/dbraw/zinc/15/28/13/979152813.db2.gz RCPBRFOTBHPJSM-VHSXEESVSA-N 2 0 200.326 1.223 20 0 BDADRP CC(C)(C[NH3+])CC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC001340946172 979171359 /nfs/dbraw/zinc/17/13/59/979171359.db2.gz VYRXGGRIJBLVCZ-NSHDSACASA-N 2 0 241.379 1.010 20 0 BDADRP CC1=CC[C@H](CCN(CC[NH3+])CC[NH3+])C1(C)C ZINC001235874436 979173540 /nfs/dbraw/zinc/17/35/40/979173540.db2.gz JKFCBUODFVVIGA-CYBMUJFWSA-N 2 0 239.407 1.588 20 0 BDADRP CC[C@@H]([NH2+]C)C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001340994592 979188543 /nfs/dbraw/zinc/18/85/43/979188543.db2.gz MNZABLNRAQEOGY-LLVKDONJSA-N 2 0 233.315 1.226 20 0 BDADRP CN(C[C@H]1CCC[NH2+]C1)C[C@@H]1CCCC[NH2+]1 ZINC001235950832 979218699 /nfs/dbraw/zinc/21/86/99/979218699.db2.gz NQHHHXVHQCPECG-STQMWFEESA-N 2 0 225.380 1.060 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)c1ccccc1C[NH3+] ZINC001341165007 979259523 /nfs/dbraw/zinc/25/95/23/979259523.db2.gz OSIMGUJSNABTHZ-ZJUUUORDSA-N 2 0 235.331 1.001 20 0 BDADRP C[C@H]([NH3+])CN1CCCC2(CC(F)C2)CC1 ZINC001235990810 979280632 /nfs/dbraw/zinc/28/06/32/979280632.db2.gz CZUFXHMXIIIHSS-UNXYVOJBSA-N 2 0 214.328 1.938 20 0 BDADRP CCN(CC1(C)CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC001236005344 979289431 /nfs/dbraw/zinc/28/94/31/979289431.db2.gz LDPVONVUFUZZPY-ZDUSSCGKSA-N 2 0 239.407 1.450 20 0 BDADRP CCN(CCCCC[NH3+])[C@@H]1CCC[NH2+]C1 ZINC001236007341 979296747 /nfs/dbraw/zinc/29/67/47/979296747.db2.gz YECUCXGSLNPHPY-GFCCVEGCSA-N 2 0 213.369 1.189 20 0 BDADRP CCN(Cc1cccc(C[NH3+])c1)[C@H]1CCC[NH2+]C1 ZINC001236008899 979299801 /nfs/dbraw/zinc/29/98/01/979299801.db2.gz JRCHYZQNENPDBA-HNNXBMFYSA-N 2 0 247.386 1.719 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CN(Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC001236053327 979342333 /nfs/dbraw/zinc/34/23/33/979342333.db2.gz YOXCDLSKYPRRLF-IAQYHMDHSA-N 2 0 245.370 1.459 20 0 BDADRP CC/C=C\CCC[N@H+](C)CCN1CC[NH2+]CC1 ZINC001236082738 979367311 /nfs/dbraw/zinc/36/73/11/979367311.db2.gz NABBEJDTPXAMOL-PLNGDYQASA-N 2 0 239.407 1.570 20 0 BDADRP [NH3+]Cc1cccc(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC001236092154 979380070 /nfs/dbraw/zinc/38/00/70/979380070.db2.gz AEMFNQIPSKSEQT-GASCZTMLSA-N 2 0 245.370 1.472 20 0 BDADRP C[C@H]([NH3+])CN1CCC[C@@H]1CC(=O)OC(C)(C)C ZINC001236093405 979382095 /nfs/dbraw/zinc/38/20/95/979382095.db2.gz GVOVGHNLYNQIDB-WDEREUQCSA-N 2 0 242.363 1.530 20 0 BDADRP C[C@H]1CN(Cc2ccc3c(c2)C[NH2+]C3)CCC[NH2+]1 ZINC001236101595 979387512 /nfs/dbraw/zinc/38/75/12/979387512.db2.gz XAWDEDMVEKWIMU-LBPRGKRZSA-N 2 0 245.370 1.474 20 0 BDADRP C[C@H]([NH3+])CN1CC[NH2+]C[C@@H]1c1cccs1 ZINC001236116197 979392077 /nfs/dbraw/zinc/39/20/77/979392077.db2.gz WMBWBBGDNUMQAI-VHSXEESVSA-N 2 0 225.361 1.042 20 0 BDADRP c1csc([C@H]2C[NH2+]CCN2C[C@@H]2CC[NH2+]2)c1 ZINC001236114990 979392528 /nfs/dbraw/zinc/39/25/28/979392528.db2.gz PTCYFASRDWBWQH-WDEREUQCSA-N 2 0 237.372 1.056 20 0 BDADRP CCC[C@@H]1C[NH2+]CCN1C[C@H]1CCCC[NH2+]1 ZINC001236132457 979402931 /nfs/dbraw/zinc/40/29/31/979402931.db2.gz LHFNEKMNZOVCLD-CHWSQXEVSA-N 2 0 225.380 1.202 20 0 BDADRP CCCC[C@@H]1CN(CCCCCC[NH3+])CC[NH2+]1 ZINC001236134535 979403256 /nfs/dbraw/zinc/40/32/56/979403256.db2.gz FNMAERXELGYGMU-CQSZACIVSA-N 2 0 241.423 1.970 20 0 BDADRP C[N@H+](CCCC[NH3+])C[C@@H]1Cc2ccccc2CN1 ZINC001236142032 979408243 /nfs/dbraw/zinc/40/82/43/979408243.db2.gz NUEGHVZOOGZGFL-HNNXBMFYSA-N 2 0 247.386 1.372 20 0 BDADRP [NH3+]CCCC[NH+]1CCC2(CCC(=O)CC2)CC1 ZINC001236143739 979408465 /nfs/dbraw/zinc/40/84/65/979408465.db2.gz KEAYPIAZVFJCFN-UHFFFAOYSA-N 2 0 238.375 1.951 20 0 BDADRP CC=C(NC=[NH2+])c1cnn(CCC[NH+](C)C)c1 ZINC001236148446 979414065 /nfs/dbraw/zinc/41/40/65/979414065.db2.gz FBFUVXGUIOQIKJ-QCDXTXTGSA-N 2 0 235.335 1.392 20 0 BDADRP Cn1ccc(C2CC[NH+](CCCC[NH3+])CC2)n1 ZINC001236153625 979414946 /nfs/dbraw/zinc/41/49/46/979414946.db2.gz JPYSNKUNCOPIKG-UHFFFAOYSA-N 2 0 236.363 1.338 20 0 BDADRP [NH3+]CCCC[NH+]1CCC2(CCCOC2)CC1 ZINC001236183244 979439461 /nfs/dbraw/zinc/43/94/61/979439461.db2.gz ULEKCAQCPZCNIR-UHFFFAOYSA-N 2 0 226.364 1.618 20 0 BDADRP CN(CCCCC[NH3+])[C@]1(C)CCC[NH2+]C1 ZINC001236201249 979450432 /nfs/dbraw/zinc/45/04/32/979450432.db2.gz LIEDPZIGCYUDOG-GFCCVEGCSA-N 2 0 213.369 1.189 20 0 BDADRP C([C@H]1CCC[NH2+]C1)N(C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001236236992 979459890 /nfs/dbraw/zinc/45/98/90/979459890.db2.gz NXJNWPPRCHIGJZ-GXTWGEPZSA-N 2 0 237.391 1.202 20 0 BDADRP [NH3+]Cc1ccccc1C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC001341547143 979461961 /nfs/dbraw/zinc/46/19/61/979461961.db2.gz LBRQJXPPTFLQNE-HAQNSBGRSA-N 2 0 247.342 1.145 20 0 BDADRP CC[C@@H](C(=O)Nc1cccc2c1C[NH2+]C2)[NH+](C)C ZINC001341622450 979493773 /nfs/dbraw/zinc/49/37/73/979493773.db2.gz JCRONKIWWGIXER-ZDUSSCGKSA-N 2 0 247.342 1.569 20 0 BDADRP C[NH2+]CCN(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236288197 979494105 /nfs/dbraw/zinc/49/41/05/979494105.db2.gz XMBWDPGAUBWCLV-UHFFFAOYSA-N 2 0 247.386 1.460 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)N[C@H]1CC[NH2+]C1(C)C ZINC001341688769 979528269 /nfs/dbraw/zinc/52/82/69/979528269.db2.gz LCPUMMALTQGPFW-QWRGUYRKSA-N 2 0 241.379 1.007 20 0 BDADRP CCCN(CC[C@@H]1CCCC[NH2+]1)[C@H]1CC[NH2+]C1 ZINC001236322261 979535324 /nfs/dbraw/zinc/53/53/24/979535324.db2.gz LZPVBIVMPYUMKF-KBPBESRZSA-N 2 0 239.407 1.593 20 0 BDADRP CCCN(CC[C@H]1CCCC[NH2+]1)[C@H]1CC[NH2+]C1 ZINC001236322262 979536760 /nfs/dbraw/zinc/53/67/60/979536760.db2.gz LZPVBIVMPYUMKF-KGLIPLIRSA-N 2 0 239.407 1.593 20 0 BDADRP COc1ccnc(Nc2cc[nH+]c(N)c2)c1 ZINC001206522068 979553694 /nfs/dbraw/zinc/55/36/94/979553694.db2.gz IHHULLZMEKXTKZ-UHFFFAOYSA-N 2 0 216.244 1.811 20 0 BDADRP C[C@@H]([NH3+])CN(C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236374140 979571943 /nfs/dbraw/zinc/57/19/43/979571943.db2.gz PFZRQQHIMQINSQ-OLZOCXBDSA-N 2 0 239.407 1.578 20 0 BDADRP COc1cccc([C@@H]2CCN(C[C@H](C)[NH3+])C2)c1 ZINC001236410903 979582884 /nfs/dbraw/zinc/58/28/84/979582884.db2.gz KMJGMSBBXFWCSV-WCQYABFASA-N 2 0 234.343 1.832 20 0 BDADRP C[C@H]1C[NH+](CC[C@H]2CCC[NH2+]C2)C[C@H](C)N1 ZINC001236422962 979592835 /nfs/dbraw/zinc/59/28/35/979592835.db2.gz KKZZKZYJTKNWOP-RWMBFGLXSA-N 2 0 225.380 1.058 20 0 BDADRP CC[NH2+]CCN(CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236457339 979600986 /nfs/dbraw/zinc/60/09/86/979600986.db2.gz JVPSSFMFDIKMFF-UHFFFAOYSA-N 2 0 241.423 1.696 20 0 BDADRP CC(C)C[N@H+](CCCCC[NH3+])[C@@H]1CCCNC1 ZINC001236475228 979603610 /nfs/dbraw/zinc/60/36/10/979603610.db2.gz XIJFFPCEQUHSNV-CQSZACIVSA-N 2 0 241.423 1.825 20 0 BDADRP CC[C@@H]([NH3+])CN(CC[NH3+])Cc1ccccc1 ZINC001236520966 979616031 /nfs/dbraw/zinc/61/60/31/979616031.db2.gz HCNDZIBYFROEIH-CYBMUJFWSA-N 2 0 221.348 1.185 20 0 BDADRP CCC1(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)COC1 ZINC001206540454 979621847 /nfs/dbraw/zinc/62/18/47/979621847.db2.gz BROFCVAJZALSJR-CYBMUJFWSA-N 2 0 240.391 1.864 20 0 BDADRP C(CN(C1CC1)[C@@H]1CC[NH2+]C1)[C@H]1CCCC[NH2+]1 ZINC001236530379 979622312 /nfs/dbraw/zinc/62/23/12/979622312.db2.gz QXFSVJVHNMOGAD-TZMCWYRMSA-N 2 0 237.391 1.345 20 0 BDADRP C[C@H]1CN(CC2(C)CC[NH+](C)CC2)C[C@H](C)[NH2+]1 ZINC001236576137 979648539 /nfs/dbraw/zinc/64/85/39/979648539.db2.gz BVNGAZKYZGJDGE-STQMWFEESA-N 2 0 239.407 1.401 20 0 BDADRP C[C@]1(C[NH3+])CCCC[N@H+](CCCCO)C1 ZINC001206542167 979653341 /nfs/dbraw/zinc/65/33/41/979653341.db2.gz TXNMPMXNGNYSMH-GFCCVEGCSA-N 2 0 214.353 1.210 20 0 BDADRP C([C@@H]1CCC[NH2+]1)N(C1CCC1)C1CC[NH2+]CC1 ZINC001236634060 979683423 /nfs/dbraw/zinc/68/34/23/979683423.db2.gz PMMYGHOIUJXOTI-LBPRGKRZSA-N 2 0 237.391 1.345 20 0 BDADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC001342161765 979684175 /nfs/dbraw/zinc/68/41/75/979684175.db2.gz YRGQPECMSUKHGD-YFKTTZPYSA-N 2 0 241.379 1.088 20 0 BDADRP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ccc[nH]c2=O)C1 ZINC001206549652 979700667 /nfs/dbraw/zinc/70/06/67/979700667.db2.gz POFZAENXFPLJFV-AWEZNQCLSA-N 2 0 249.358 1.738 20 0 BDADRP C[C@@H]1CC[C@@H](NC(=O)C[C@@H]([NH3+])C(C)(C)C)C[NH2+]1 ZINC001342230211 979721030 /nfs/dbraw/zinc/72/10/30/979721030.db2.gz YTPYRRINYZCHAS-GMTAPVOTSA-N 2 0 241.379 1.007 20 0 BDADRP CCCN(C[C@H]1CC[NH2+]C1)C[C@H]1CCCC[NH2+]1 ZINC001236833125 979748626 /nfs/dbraw/zinc/74/86/26/979748626.db2.gz YUMDOALEMCZPAY-UONOGXRCSA-N 2 0 239.407 1.450 20 0 BDADRP CC[C@H](N)C[N@H+](C)CC1CC2(C1)CC[NH2+]CC2 ZINC001236859342 979765957 /nfs/dbraw/zinc/76/59/57/979765957.db2.gz JUCCOYOEOJOXKL-ZDUSSCGKSA-N 2 0 239.407 1.435 20 0 BDADRP C[C@H]([NH3+])CN(C)Cc1ccc(-n2ccnn2)cc1 ZINC001236894883 979781901 /nfs/dbraw/zinc/78/19/01/979781901.db2.gz GFCHNUDFHZMAQC-NSHDSACASA-N 2 0 245.330 1.046 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCc2cnc(C3CC3)nc2C1 ZINC001236912179 979789866 /nfs/dbraw/zinc/78/98/66/979789866.db2.gz LNUGKQHTLMNWAG-UHFFFAOYSA-N 2 0 246.358 1.451 20 0 BDADRP CC[NH+]1C[C@@H]2C[NH+](CCCCCO)C[C@H]2C1 ZINC001236950270 979798084 /nfs/dbraw/zinc/79/80/84/979798084.db2.gz KXQVLVSFHHIKDX-CHWSQXEVSA-N 2 0 226.364 1.033 20 0 BDADRP [NH3+]CCCCN1Cc2ccccc2C[C@H]1C[NH3+] ZINC001237020097 979804248 /nfs/dbraw/zinc/80/42/48/979804248.db2.gz MYYXJUFVXUWRLU-AWEZNQCLSA-N 3 0 233.359 1.111 20 0 BDADRP C[C@]1([NH3+])CCC[N@H+](Cc2cc[nH]c(=O)c2)CC1 ZINC001205264278 979810633 /nfs/dbraw/zinc/81/06/33/979810633.db2.gz IUIKZSFGSJUBCZ-ZDUSSCGKSA-N 2 0 235.331 1.491 20 0 BDADRP C[NH2+]CCN(C(=O)[C@H](CC(C)C)[NH2+]C)C(C)C ZINC001342534487 979824373 /nfs/dbraw/zinc/82/43/73/979824373.db2.gz FEEUFQMLLOZLMH-LBPRGKRZSA-N 2 0 243.395 1.077 20 0 BDADRP [NH3+]CCCCC[N@@H+]1CCNC2=CCCC[C@H]21 ZINC001237221356 979852176 /nfs/dbraw/zinc/85/21/76/979852176.db2.gz VLEYRHJUWKQXEN-CYBMUJFWSA-N 2 0 223.364 1.457 20 0 BDADRP C[C@]1([NH3+])CCCN(Cc2cc(F)ccn2)CC1 ZINC001205281034 979882098 /nfs/dbraw/zinc/88/20/98/979882098.db2.gz OJJSSVHKYFMKBC-ZDUSSCGKSA-N 2 0 237.322 1.924 20 0 BDADRP COc1ccc(CN2CCC[C@@](C)([NH3+])CC2)nc1 ZINC001205281044 979882393 /nfs/dbraw/zinc/88/23/93/979882393.db2.gz OOGWVEYWGORALL-CQSZACIVSA-N 2 0 249.358 1.794 20 0 BDADRP C[C@H]([NH3+])CN1CC[C@H]([NH+]2CCCCC2)[C@@H](F)C1 ZINC001237457621 979901645 /nfs/dbraw/zinc/90/16/45/979901645.db2.gz YEDSVAZYOZFXPL-AVGNSLFASA-N 2 0 243.370 1.232 20 0 BDADRP CS[C@@H]1CC[C@H]1[NH2+]C[C@H]1C[NH+]2CCC1CC2 ZINC001184134906 979947683 /nfs/dbraw/zinc/94/76/83/979947683.db2.gz JUJRUXGFBWUXQO-YNEHKIRRSA-N 2 0 240.416 1.812 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C(=O)N[C@H]2C[C@H](C[NH3+])C2)cc1 ZINC001343087795 980006844 /nfs/dbraw/zinc/00/68/44/980006844.db2.gz UURWPICVBGXUSK-GIPNMCIBSA-N 2 0 247.342 1.173 20 0 BDADRP CC[C@@H]([NH2+]C)C(=O)N[C@H](C)CC[NH+](CC)CC ZINC001343500446 980131572 /nfs/dbraw/zinc/13/15/72/980131572.db2.gz IYDWYWMSQNYKRE-VXGBXAGGSA-N 2 0 243.395 1.221 20 0 BDADRP C[C@@]1(CO)CCC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC001345159169 980570835 /nfs/dbraw/zinc/57/08/35/980570835.db2.gz CRRPWARGEOOJAP-UONOGXRCSA-N 2 0 240.391 1.471 20 0 BDADRP C[NH2+][C@H](C)CCN[C@H]1CCCCC[C@H]1[NH3+] ZINC001345482571 980618145 /nfs/dbraw/zinc/61/81/45/980618145.db2.gz NOZAVDPZCKSZHK-UTUOFQBUSA-N 2 0 213.369 1.234 20 0 BDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NCC[C@H](C)[NH2+]C ZINC001345993464 980725122 /nfs/dbraw/zinc/72/51/22/980725122.db2.gz QRSRPUDSUDJCNB-WDEREUQCSA-N 2 0 243.395 1.125 20 0 BDADRP Cn1ccc(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)n1 ZINC001205546056 980955114 /nfs/dbraw/zinc/95/51/14/980955114.db2.gz PTSABSFZDVQVDL-LBPRGKRZSA-N 2 0 240.326 1.073 20 0 BDADRP C[NH+](C)[C@H]1CCC[C@@H](Nc2nccnc2C[NH3+])C1 ZINC001348019622 981248809 /nfs/dbraw/zinc/24/88/09/981248809.db2.gz GJAYECXWZVYLGE-MNOVXSKESA-N 2 0 249.362 1.220 20 0 BDADRP c1[nH]nc2c1cccc2C[NH2+][C@H]1CCC[NH2+]CC1 ZINC001348515751 981381573 /nfs/dbraw/zinc/38/15/73/981381573.db2.gz OXLBNEBKRIQUFF-ZDUSSCGKSA-N 2 0 244.342 1.795 20 0 BDADRP OCC1([NH2+]CC[C@@H]2C[C@H]2C2CC2)CC[NH2+]CC1 ZINC001580881415 981686815 /nfs/dbraw/zinc/68/68/15/981686815.db2.gz GHRBIBKDILKGGL-OLZOCXBDSA-N 2 0 238.375 1.127 20 0 BDADRP O[C@]1(C[NH2+][C@@H]2CCC23CCCC3)CC[NH2+]C1 ZINC001580880739 981690538 /nfs/dbraw/zinc/69/05/38/981690538.db2.gz XDTGQRKXWSHPDS-DGCLKSJQSA-N 2 0 224.348 1.023 20 0 BDADRP O[C@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001580885871 981703598 /nfs/dbraw/zinc/70/35/98/981703598.db2.gz PVGNDGWLAUUYEG-UGFHNGPFSA-N 2 0 246.354 1.234 20 0 BDADRP Cc1cnc(C=C2CC[NH2+]CC2)c(C[NH3+])c1 ZINC001240873691 981917680 /nfs/dbraw/zinc/91/76/80/981917680.db2.gz GWBRQNHYTVSNMZ-UHFFFAOYSA-N 2 0 217.316 1.616 20 0 BDADRP [NH3+]Cc1cccc(C=C2CC[NH2+]CC2)c1 ZINC001240876113 981922956 /nfs/dbraw/zinc/92/29/56/981922956.db2.gz RLVBRSBWFIPYIO-UHFFFAOYSA-N 2 0 202.301 1.912 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+]CC1(OC)CCCC1 ZINC001351680685 982360244 /nfs/dbraw/zinc/36/02/44/982360244.db2.gz YBZHMAYBYWVEBR-NSHDSACASA-N 2 0 214.353 1.391 20 0 BDADRP C[C@@H]1CC[C@@H](CN)[N@H+](CC2(C)CC[NH2+]CC2)C1 ZINC001205804281 982561896 /nfs/dbraw/zinc/56/18/96/982561896.db2.gz MLZBHJANFDWGIA-OLZOCXBDSA-N 2 0 239.407 1.435 20 0 BDADRP COC1(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)CCC1 ZINC001352874602 982613840 /nfs/dbraw/zinc/61/38/40/982613840.db2.gz ANBLYCBXZHVBBS-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH3+])N(Cc2ccc(C[NH3+])cc2)C1 ZINC001205832103 982683627 /nfs/dbraw/zinc/68/36/27/982683627.db2.gz ZMRLZEYZEIPNSF-DOMZBBRYSA-N 2 0 247.386 1.705 20 0 BDADRP CC[C@@H](O)C[NH2+][C@H]1CC[C@@H]([NH+](CC)CC)CC1 ZINC001251817657 982748707 /nfs/dbraw/zinc/74/87/07/982748707.db2.gz QZVSZBFQIWBLHK-HZSPNIEDSA-N 2 0 242.407 2.000 20 0 BDADRP C[N@@H+]1CCC=C(c2ccc3[nH]c(N)[nH+]c3c2)C1 ZINC001241571125 982824656 /nfs/dbraw/zinc/82/46/56/982824656.db2.gz TXPHXIQJEWFHJO-UHFFFAOYSA-N 2 0 228.299 1.864 20 0 BDADRP [NH3+]Cc1ccc(-c2cnn(C3C[NH2+]C3)c2)cc1 ZINC001241602949 982844257 /nfs/dbraw/zinc/84/42/57/982844257.db2.gz HVGYFTPISXYUDC-UHFFFAOYSA-N 2 0 228.299 1.153 20 0 BDADRP C[C@@H]([NH3+])c1ccccc1-c1cnn(C2C[NH2+]C2)c1 ZINC001241621014 982854313 /nfs/dbraw/zinc/85/43/13/982854313.db2.gz VQOJKGKWYUHMJG-SNVBAGLBSA-N 2 0 242.326 1.714 20 0 BDADRP CCn1cncc1CN1C[C@H](C)CC[C@H]1C[NH3+] ZINC001205854598 982873059 /nfs/dbraw/zinc/87/30/59/982873059.db2.gz KQRZXEUHSRLJKS-NEPJUHHUSA-N 2 0 236.363 1.462 20 0 BDADRP [NH3+]Cc1ccc(-c2ncnc3c2C[NH2+]CC3)cc1 ZINC001241910995 983126262 /nfs/dbraw/zinc/12/62/62/983126262.db2.gz FAJFBQBNJPUZQO-UHFFFAOYSA-N 2 0 240.310 1.248 20 0 BDADRP C[C@H]1[C@H](C[NH3+])CCCN1C[C@@H]([NH3+])c1ccccc1 ZINC001205905176 983133064 /nfs/dbraw/zinc/13/30/64/983133064.db2.gz ZHTWQBXMBMOEFL-AEGPPILISA-N 2 0 247.386 1.746 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC001354232814 983213536 /nfs/dbraw/zinc/21/35/36/983213536.db2.gz BZLPDUDJJCPXHK-RVMXOQNASA-N 2 0 237.391 1.363 20 0 BDADRP Nc1cc[nH+]cc1C1=C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001242023838 983234196 /nfs/dbraw/zinc/23/41/96/983234196.db2.gz JONZXOAKTQPVPA-ZJUUUORDSA-N 2 0 201.273 1.402 20 0 BDADRP CC[C@H](C)C[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001201513922 983276264 /nfs/dbraw/zinc/27/62/64/983276264.db2.gz CXPFXBTXNDXJRA-ZDUSSCGKSA-N 2 0 227.396 1.212 20 0 BDADRP CCC(CC)C[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001201535219 983291508 /nfs/dbraw/zinc/29/15/08/983291508.db2.gz ZOVMWQFBUPVAHD-UHFFFAOYSA-N 2 0 239.407 1.354 20 0 BDADRP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3cc[nH]n3)C[C@@H]2C1 ZINC001355374931 983481694 /nfs/dbraw/zinc/48/16/94/983481694.db2.gz WCNKMRYJLALQRJ-SGMGOOAPSA-N 2 0 248.374 1.572 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1NCc1nccn1C1CC1 ZINC001356082647 983568234 /nfs/dbraw/zinc/56/82/34/983568234.db2.gz ARNHENCUMXXDBM-DGCLKSJQSA-N 2 0 248.374 1.825 20 0 BDADRP CCC[C@@H](O)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001252802737 983898229 /nfs/dbraw/zinc/89/82/29/983898229.db2.gz KUXNDSLVNTYUDD-YIYPIFLZSA-N 2 0 240.391 1.752 20 0 BDADRP CC(C)[C@H](CO)[NH2+][C@@H](C)C[C@H]1CCC[NH2+]1 ZINC001575940680 984137809 /nfs/dbraw/zinc/13/78/09/984137809.db2.gz AAYXFANMWPUDEK-TUAOUCFPSA-N 2 0 214.353 1.124 20 0 BDADRP C1[NH2+]CC12C[C@H]([NH2+][C@H]1C[C@@H]3CCCC[C@@H]31)CO2 ZINC001574801184 984118512 /nfs/dbraw/zinc/11/85/12/984118512.db2.gz OEPAEYRPJKQSLK-CYDGBPFRSA-N 2 0 236.359 1.286 20 0 BDADRP C[C@@H](O)[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC001576269230 984165775 /nfs/dbraw/zinc/16/57/75/984165775.db2.gz NROIECFBRJLLSK-JHJVBQTASA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@H]([NH3+])C2)CS1 ZINC001576671141 984178673 /nfs/dbraw/zinc/17/86/73/984178673.db2.gz RUKYQHDISYENCR-ZYUZMQFOSA-N 2 0 200.351 1.350 20 0 BDADRP CC[C@@](C)(C[NH2+]C1CC2(C[C@@H]2[NH3+])C1)OC ZINC001576948954 984184801 /nfs/dbraw/zinc/18/48/01/984184801.db2.gz BBPYMXBKZCIBFZ-YECOWLKZSA-N 2 0 212.337 1.271 20 0 BDADRP CCC[C@@H](C[NH2+]CCC1(C[NH3+])CC1)OC ZINC001577357689 984192141 /nfs/dbraw/zinc/19/21/41/984192141.db2.gz FPHQZVFTLCYWSV-NSHDSACASA-N 2 0 214.353 1.520 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H](C)CC[NH3+])CC1 ZINC001577763381 984202891 /nfs/dbraw/zinc/20/28/91/984202891.db2.gz ABJYOYSFBXSAOO-LLVKDONJSA-N 3 0 213.369 1.045 20 0 BDADRP CC[C@H](C)[C@H]([NH3+])C(=O)N(C)CCCC[NH+](C)C ZINC001578229669 984209326 /nfs/dbraw/zinc/20/93/26/984209326.db2.gz ZLNMKGDEFYBNFE-RYUDHWBXSA-N 2 0 243.395 1.160 20 0 BDADRP CN(C)c1ncccc1C[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578432731 984212361 /nfs/dbraw/zinc/21/23/61/984212361.db2.gz XAHZIQGKLQHMEN-WCQYABFASA-N 2 0 248.374 1.365 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+][C@H]1C[C@@](C)(OC)C1(C)C ZINC001579001569 984246483 /nfs/dbraw/zinc/24/64/83/984246483.db2.gz JIPLAFKQQHZILB-GMXVVIOVSA-N 2 0 244.379 1.143 20 0 BDADRP c1cc(C2=CC[NH2+]CC2)ccc1O[C@H]1CC[NH2+]C1 ZINC001240469538 984303395 /nfs/dbraw/zinc/30/33/95/984303395.db2.gz BCZMCZALXNILQX-HNNXBMFYSA-N 2 0 244.338 1.804 20 0 BDADRP CC[N@H+](C1CCOCC1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC000716444049 984367529 /nfs/dbraw/zinc/36/75/29/984367529.db2.gz TULYSDCXXGUVLI-DGCLKSJQSA-N 2 0 226.364 1.628 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+][C@H](CO)Cc1ccccc1)C2 ZINC001580163457 984401628 /nfs/dbraw/zinc/40/16/28/984401628.db2.gz BGQDGWNDAJSXIL-FGZQJIAISA-N 2 0 246.354 1.059 20 0 BDADRP CCC[N@@H+]1CCCC2(CN(CC[NH+](C)C)C2)C1 ZINC001275108241 984489159 /nfs/dbraw/zinc/48/91/59/984489159.db2.gz NTVPUTBHRZCBPX-UHFFFAOYSA-N 2 0 239.407 1.356 20 0 BDADRP CC[NH2+]C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001275309514 984534196 /nfs/dbraw/zinc/53/41/96/984534196.db2.gz APXUGHPEMYQBQY-NSHDSACASA-N 2 0 243.395 1.079 20 0 BDADRP C[NH+](C)Cc1cccc(C2=CC[NH2+]C2)c1 ZINC001243109586 984560883 /nfs/dbraw/zinc/56/08/83/984560883.db2.gz OOPFNWGWZLTFJP-UHFFFAOYSA-N 2 0 202.301 1.735 20 0 BDADRP [NH3+][C@@H]1CCc2ccc(C3=CC[NH2+]C3)cc21 ZINC001243116639 984585350 /nfs/dbraw/zinc/58/53/50/984585350.db2.gz VSOLIQLWYIIDIW-CYBMUJFWSA-N 2 0 200.285 1.619 20 0 BDADRP C[C@H]1CC(N(CC[NH3+])CC[NH3+])C[C@H](C)C1 ZINC000719350920 984634470 /nfs/dbraw/zinc/63/44/70/984634470.db2.gz XTPOARWFWSUSSN-GHMZBOCLSA-N 2 0 213.369 1.031 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]C1CC(CC[NH3+])C1 ZINC001577687732 984638919 /nfs/dbraw/zinc/63/89/19/984638919.db2.gz QXGKEXQAKJMUSC-IYXRBSQSSA-N 3 0 241.423 1.824 20 0 BDADRP CC[N@H+](CCc1ccccc1)C[C@@]1(O)CC[NH2+]C1 ZINC001577728753 984684305 /nfs/dbraw/zinc/68/43/05/984684305.db2.gz OFTCHWMFXHVUNT-OAHLLOKOSA-N 2 0 248.370 1.275 20 0 BDADRP CC[N@H+](CCSC)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001577728759 984684779 /nfs/dbraw/zinc/68/47/79/984684779.db2.gz OQTIQQKEYQJRKN-WDEREUQCSA-N 2 0 216.394 1.799 20 0 BDADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C[C@@H](C)[NH3+] ZINC001577734073 984691053 /nfs/dbraw/zinc/69/10/53/984691053.db2.gz DEIBSIJMALSBGR-CYBMUJFWSA-N 3 0 249.402 1.917 20 0 BDADRP CC[N@H+](CCc1ccccc1)C[C@H](O)CC[NH3+] ZINC001577728590 984691549 /nfs/dbraw/zinc/69/15/49/984691549.db2.gz HQQIWRIYWKENGG-CQSZACIVSA-N 2 0 236.359 1.261 20 0 BDADRP CC[N@@H+]1CCC[C@@H](N[C@H](CC[NH3+])C(F)F)C1 ZINC001577771064 984786402 /nfs/dbraw/zinc/78/64/02/984786402.db2.gz RLAKUXPHCNVXPS-NXEZZACHSA-N 2 0 235.322 1.043 20 0 BDADRP C[N@H+]1C[C@H]2C[C@@H](C1)N2CCC[NH+]1CCCCC1 ZINC001276047741 984808235 /nfs/dbraw/zinc/80/82/35/984808235.db2.gz VPWPONSIKJOWHA-OKILXGFUSA-N 2 0 237.391 1.251 20 0 BDADRP CCOC(=O)[C@H](C)[C@H](C)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001577908612 984818488 /nfs/dbraw/zinc/81/84/88/984818488.db2.gz NEYZWUNABKUBLC-USZNOCQGSA-N 2 0 242.363 1.304 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H]([NH3+])C2)C12CCC2 ZINC001578093276 984846548 /nfs/dbraw/zinc/84/65/48/984846548.db2.gz GORUZEDORXTPCM-KXNHARMFSA-N 2 0 224.348 1.413 20 0 BDADRP CCO[C@@H]1COCC[C@@H]1[NH2+]CCCCCC[NH3+] ZINC001578100330 984853005 /nfs/dbraw/zinc/85/30/05/984853005.db2.gz REDHUERWPAVZLG-QWHCGFSZSA-N 2 0 244.379 1.289 20 0 BDADRP CCC[C@H](CC)N(CC[NH+](C)C)CC[NH+](C)C ZINC001257262585 984861501 /nfs/dbraw/zinc/86/15/01/984861501.db2.gz CRUVPQATRVGFHD-AWEZNQCLSA-N 2 0 243.439 1.990 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C1 ZINC001578161669 984863986 /nfs/dbraw/zinc/86/39/86/984863986.db2.gz UUKSMTMEVDKYBB-UTUOFQBUSA-N 2 0 212.337 1.143 20 0 BDADRP CCO[C@@]1(C)C[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC001578161638 984864378 /nfs/dbraw/zinc/86/43/78/984864378.db2.gz SWYZQQKQCIGEFO-HCWSGVFWSA-N 2 0 212.337 1.413 20 0 BDADRP CC[C@H]1[NH2+]CC[C@@H]1NC(=O)CC[NH2+]C(C)(C)C ZINC001578235530 984888768 /nfs/dbraw/zinc/88/87/68/984888768.db2.gz MZNYALVBOACOQH-MNOVXSKESA-N 2 0 241.379 1.021 20 0 BDADRP CC[C@H]1[NH2+]CC[C@@H]1[NH2+]CC1(CC)CCOCC1 ZINC001578241797 984893512 /nfs/dbraw/zinc/89/35/12/984893512.db2.gz MHUKOUZLXMGENN-OLZOCXBDSA-N 2 0 240.391 1.923 20 0 BDADRP CCc1ccc2c(c1)C[N@@H+](C[C@H](O)CC[NH3+])CC2 ZINC001578263641 984918051 /nfs/dbraw/zinc/91/80/51/984918051.db2.gz RFIOVTNQSJPCDO-OAHLLOKOSA-N 2 0 248.370 1.317 20 0 BDADRP CCc1cn(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)cn1 ZINC001578283097 984921458 /nfs/dbraw/zinc/92/14/58/984921458.db2.gz YTWFNEHROATBQW-STQMWFEESA-N 2 0 235.331 1.214 20 0 BDADRP C[NH+]1CCC2(CCN(CC(C)(C)[NH3+])CC2)CC1 ZINC000691922342 984946293 /nfs/dbraw/zinc/94/62/93/984946293.db2.gz AUXLWLUUPKTJEK-UHFFFAOYSA-N 2 0 239.407 1.532 20 0 BDADRP CCc1ncc(C[NH2+]C[C@@H]2CCC[NH2+]CC2)cn1 ZINC001578296874 984956355 /nfs/dbraw/zinc/95/63/55/984956355.db2.gz IOEVBVIMCJNWPR-GFCCVEGCSA-N 2 0 248.374 1.518 20 0 BDADRP CCn1cc(C[NH2+]C[C@H]2CC[C@@H]([NH3+])C2)c(C)n1 ZINC001578348544 984981409 /nfs/dbraw/zinc/98/14/09/984981409.db2.gz WOAAATAPFGXELO-WCQYABFASA-N 2 0 236.363 1.428 20 0 BDADRP CCn1ccc(C[N@H+](C)CC2CC[NH2+]CC2)n1 ZINC001578350283 984986218 /nfs/dbraw/zinc/98/62/18/984986218.db2.gz KJGCRGXAXGLJDJ-UHFFFAOYSA-N 2 0 236.363 1.334 20 0 BDADRP CC[C@H](C)NC(=[NH2+])SCCSC(N)=[NH2+] ZINC001257430758 985003904 /nfs/dbraw/zinc/00/39/04/985003904.db2.gz HLTMNSWAJBGBNG-LURJTMIESA-N 2 0 234.394 1.669 20 0 BDADRP C[NH+](C)C1(C(=O)NCCC(C)(C)[NH3+])CCCC1 ZINC001578409374 985044442 /nfs/dbraw/zinc/04/44/42/985044442.db2.gz XQODZITVNOUMPE-UHFFFAOYSA-N 2 0 241.379 1.104 20 0 BDADRP C[NH+](C)[C@@H]1CCCC[C@H]1NCC12CC(C1)C[NH2+]2 ZINC001578410258 985047286 /nfs/dbraw/zinc/04/72/86/985047286.db2.gz FMOSQFSKLXQQCU-CEUNDQEZSA-N 2 0 237.391 1.201 20 0 BDADRP C[NH+](C)Cc1ccc(NC(=O)[C@H]2C[C@H]2[NH3+])cc1 ZINC001578420863 985053807 /nfs/dbraw/zinc/05/38/07/985053807.db2.gz FLVZJXDYJQMOHR-NWDGAFQWSA-N 2 0 233.315 1.034 20 0 BDADRP C[N@H+](CC[C@H]1CC[NH2+]C1)[C@@H]1CCCC[C@H]1O ZINC001578463933 985099968 /nfs/dbraw/zinc/09/99/68/985099968.db2.gz ULNPIBKNJDZXMU-JHJVBQTASA-N 2 0 226.364 1.221 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC001578525125 985146590 /nfs/dbraw/zinc/14/65/90/985146590.db2.gz RCRZWJRPYQDDSM-KGLIPLIRSA-N 3 0 237.391 1.202 20 0 BDADRP O[C@@H](C[NH+]1CCCC1)C[NH+]1CCC2(CC2)CC1 ZINC000686607208 985154108 /nfs/dbraw/zinc/15/41/08/985154108.db2.gz QPPBAKCVTAOQAF-ZDUSSCGKSA-N 2 0 238.375 1.319 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CNC[C@@H]([NH3+])CCC(C)(C)C ZINC001578530215 985155552 /nfs/dbraw/zinc/15/55/52/985155552.db2.gz BYYRSXQVFYJPDR-QWHCGFSZSA-N 2 0 241.423 1.824 20 0 BDADRP CN1CCC[C@@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC001578529425 985157651 /nfs/dbraw/zinc/15/76/51/985157651.db2.gz UUPUDWXIZNSHAS-CHWSQXEVSA-N 2 0 237.391 1.345 20 0 BDADRP C[N@@H+]1CCCC[C@H](C[NH2+]C2CC3(C[C@@H]3[NH3+])C2)C1 ZINC001578529050 985157798 /nfs/dbraw/zinc/15/77/98/985157798.db2.gz PGBAEYKBQYTTGT-ZIHBUVQPSA-N 3 0 237.391 1.188 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CN[C@@H](C[NH3+])C1CCCCC1 ZINC001578530820 985168408 /nfs/dbraw/zinc/16/84/08/985168408.db2.gz SGOCKUDCRAZNRO-KGLIPLIRSA-N 2 0 239.407 1.578 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@@H]1CCO[C@H](C)C1 ZINC001578571351 985213304 /nfs/dbraw/zinc/21/33/04/985213304.db2.gz MUORNHVDFCSAOS-GMTAPVOTSA-N 2 0 200.326 1.142 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@H]1CCO[C@@H](C)C1 ZINC001578571355 985214116 /nfs/dbraw/zinc/21/41/16/985214116.db2.gz MUORNHVDFCSAOS-VWYCJHECSA-N 2 0 200.326 1.142 20 0 BDADRP C[NH2+]C[C@H](C)[NH2+][C@@H](C)CC(C)(C)CC(=O)OC ZINC001578638546 985245952 /nfs/dbraw/zinc/24/59/52/985245952.db2.gz PGTFEWIHKQQGLX-QWRGUYRKSA-N 2 0 244.379 1.552 20 0 BDADRP C[NH2+]C[C@@H](C)[NH2+][C@H](C)CC(C)(C)CC(=O)OC ZINC001578638544 985248954 /nfs/dbraw/zinc/24/89/54/985248954.db2.gz PGTFEWIHKQQGLX-GHMZBOCLSA-N 2 0 244.379 1.552 20 0 BDADRP C[NH2+]C[C@H](O)C[N@H+](C)C[C@@H]1CCCC[C@H]1C ZINC001578652174 985256242 /nfs/dbraw/zinc/25/62/42/985256242.db2.gz FWYVCEYMVVEWSW-AGIUHOORSA-N 2 0 228.380 1.325 20 0 BDADRP C[NH2+]C[C@@H](O)C[N@H+](C)CC1CCCCCC1 ZINC001578651982 985264390 /nfs/dbraw/zinc/26/43/90/985264390.db2.gz CGNRRPLPXVMPGE-CYBMUJFWSA-N 2 0 228.380 1.469 20 0 BDADRP C[NH2+]CC[C@@H]1CCCC[N@@H+]1C[C@@H](O)CSC ZINC001578677184 985291787 /nfs/dbraw/zinc/29/17/87/985291787.db2.gz YNGPPRDAFJNLIQ-NWDGAFQWSA-N 2 0 246.420 1.174 20 0 BDADRP CNc1ccc(C)cc1C[N@H+](C)C1CC([NH3+])C1 ZINC001578756986 985328526 /nfs/dbraw/zinc/32/85/26/985328526.db2.gz FXSHNVYXFCALMW-UHFFFAOYSA-N 2 0 233.359 1.958 20 0 BDADRP COC(=O)CC1CCC([NH2+][C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001578803742 985375120 /nfs/dbraw/zinc/37/51/20/985375120.db2.gz YIEGWPSJVJUDEH-NGMURSQQSA-N 2 0 240.347 1.188 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@H+](CCCCCCO)C1 ZINC000687796682 985385484 /nfs/dbraw/zinc/38/54/84/985385484.db2.gz KCWFDBRLWWFXMX-ZDUSSCGKSA-N 2 0 228.380 1.423 20 0 BDADRP O[C@H](CN1CCCC1)C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000687820166 985398731 /nfs/dbraw/zinc/39/87/31/985398731.db2.gz YWXJGZNDCVABDB-ZIAGYGMSSA-N 2 0 238.375 1.318 20 0 BDADRP O[C@@H](CN1CCCC1)C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000687820165 985400464 /nfs/dbraw/zinc/40/04/64/985400464.db2.gz YWXJGZNDCVABDB-UONOGXRCSA-N 2 0 238.375 1.318 20 0 BDADRP COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC001578832634 985406552 /nfs/dbraw/zinc/40/65/52/985406552.db2.gz IKPGYRAPJJYTAN-KKOKHZNYSA-N 2 0 240.347 1.045 20 0 BDADRP CCOC(=O)CCC[C@@H](C)[NH2+]C[C@@H](C)C[NH3+] ZINC001258113603 985422257 /nfs/dbraw/zinc/42/22/57/985422257.db2.gz WTFYIANTQHUOGH-WDEREUQCSA-N 2 0 230.352 1.293 20 0 BDADRP CO[C@](C)(C[NH2+]C1CC2(C[C@@H]2[NH3+])C1)C1CC1 ZINC001578897859 985477092 /nfs/dbraw/zinc/47/70/92/985477092.db2.gz ZJCNFQWJABRSLW-CMOBGSAGSA-N 2 0 224.348 1.271 20 0 BDADRP CO[C@@H](C)C[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC001578900965 985489791 /nfs/dbraw/zinc/48/97/91/985489791.db2.gz ITMGQJPHUNPZSJ-QJPTWQEYSA-N 2 0 212.337 1.143 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H]2COC[C@H]2C)CC1 ZINC000688041936 985511834 /nfs/dbraw/zinc/51/18/34/985511834.db2.gz DYZYQMWJIIGYFY-YPMHNXCESA-N 2 0 226.364 1.343 20 0 BDADRP COC1(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)CCC1 ZINC001578926601 985523907 /nfs/dbraw/zinc/52/39/07/985523907.db2.gz IMOMRRQKYUKHBH-GFCCVEGCSA-N 2 0 238.375 1.820 20 0 BDADRP COC1CC(C[NH2+][C@H](C)C[C@@H](C)[NH3+])C1 ZINC001578935725 985535996 /nfs/dbraw/zinc/53/59/96/985535996.db2.gz KVQOJACLCLJAAU-NKVNRFPTSA-N 2 0 200.326 1.127 20 0 BDADRP COC1CC(C[NH2+][C@H]2CC23CC[NH2+]CC3)C1 ZINC001578936637 985543833 /nfs/dbraw/zinc/54/38/33/985543833.db2.gz XGDWSYUYMKEKAW-MCIGGMRASA-N 2 0 224.348 1.143 20 0 BDADRP C(=C/C1CC[NH2+]CC1)\c1ccc2c(n1)C[NH2+]CC2 ZINC001243895224 985579887 /nfs/dbraw/zinc/57/98/87/985579887.db2.gz WBXHRHHGBUEDGB-HNQUOIGGSA-N 2 0 243.354 1.740 20 0 BDADRP C[C@H](O)[C@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC001459765075 985609034 /nfs/dbraw/zinc/60/90/34/985609034.db2.gz VERVFFKWZHCSDA-STQMWFEESA-N 2 0 242.407 1.810 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+]C[C@H](C)c1ccccn1 ZINC001579003061 985664394 /nfs/dbraw/zinc/66/43/94/985664394.db2.gz XISIKYNTZVQJFC-RYUDHWBXSA-N 2 0 237.347 1.139 20 0 BDADRP COCC[C@@H]([NH3+])C[NH2+]CCC1CC=CC1 ZINC001579003641 985665809 /nfs/dbraw/zinc/66/58/09/985665809.db2.gz KJHFNMCFIIEBLB-GFCCVEGCSA-N 2 0 212.337 1.296 20 0 BDADRP C[C@H]1CCC[C@@H](C[NH2+]CC2CC[NH+](C)CC2)O1 ZINC000688854522 985743308 /nfs/dbraw/zinc/74/33/08/985743308.db2.gz UJNQJBDJZXVDEM-JSGCOSHPSA-N 2 0 240.391 1.875 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+]C1CC(CC[NH3+])C1 ZINC001579114705 985745907 /nfs/dbraw/zinc/74/59/07/985745907.db2.gz XBNVFGIJVKMTQI-KIDURHIOSA-N 2 0 212.337 1.271 20 0 BDADRP CO[C@@H]1CCCC[C@H]1[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001579114665 985747203 /nfs/dbraw/zinc/74/72/03/985747203.db2.gz UIXXEHMELXAKQO-UVXZLIQYSA-N 2 0 224.348 1.413 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC001579114620 985747063 /nfs/dbraw/zinc/74/70/63/985747063.db2.gz RNFDYJNTNQXEMI-DDHJBXDOSA-N 2 0 212.337 1.271 20 0 BDADRP CO[C@@H]1CCCC[C@H]1[NH2+]C1CC(C[NH3+])C1 ZINC001579114679 985750253 /nfs/dbraw/zinc/75/02/53/985750253.db2.gz VHZFZUZJEINFIZ-KIDURHIOSA-N 2 0 212.337 1.271 20 0 BDADRP CCN1CCC[C@H]1C[NH2+][C@@H](C)CCC(=O)OC ZINC001258346987 985823402 /nfs/dbraw/zinc/82/34/02/985823402.db2.gz QQUMSXRPABXHPU-RYUDHWBXSA-N 2 0 242.363 1.402 20 0 BDADRP C[S@](=O)[C@H]1CC[C@H]([NH2+]CC2(C[NH3+])CCC2)C1 ZINC001579354429 985855727 /nfs/dbraw/zinc/85/57/27/985855727.db2.gz CUTIPKHRAKSCFM-MMPTUQATSA-N 2 0 244.404 1.005 20 0 BDADRP CSCC[N@@H+]1C[C@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001579374955 985864692 /nfs/dbraw/zinc/86/46/92/985864692.db2.gz ZVIXDOYDHIEZOT-VXGBXAGGSA-N 2 0 228.405 1.800 20 0 BDADRP [NH3+]C[C@H]1CCCC[N@H+](CCCn2cccn2)C1 ZINC001206606365 985899617 /nfs/dbraw/zinc/89/96/17/985899617.db2.gz LWISGAYNSLNYOL-CYBMUJFWSA-N 2 0 236.363 1.334 20 0 BDADRP C[C@@H]1C[N@H+](CCC2OCCCO2)C[C@H]1CC[NH3+] ZINC001579439915 985928169 /nfs/dbraw/zinc/92/81/69/985928169.db2.gz BQUSYTNKXGAQDW-VXGBXAGGSA-N 2 0 242.363 1.056 20 0 BDADRP C[C@@H]1C[N@H+](CC2(O)CCCCCC2)C[C@H]1C[NH3+] ZINC001579439972 985930616 /nfs/dbraw/zinc/93/06/16/985930616.db2.gz GQATYIFJYKGBGW-CHWSQXEVSA-N 2 0 240.391 1.598 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC001579454589 985942341 /nfs/dbraw/zinc/94/23/41/985942341.db2.gz MUMLOPYLEMEISW-FRRDWIJNSA-N 2 0 238.375 1.221 20 0 BDADRP Nc1cc[nH+]cc1-c1cccc(OCC[NH3+])c1 ZINC001244325288 985954833 /nfs/dbraw/zinc/95/48/33/985954833.db2.gz SEWOQOLZYSRCKL-UHFFFAOYSA-N 2 0 229.283 1.499 20 0 BDADRP [NH3+]C[C@@H]1CCCC[N@H+](C[C@H]2CCC=CO2)C1 ZINC001206607260 985960217 /nfs/dbraw/zinc/96/02/17/985960217.db2.gz YRUCPCFPFTYVLN-QWHCGFSZSA-N 2 0 224.348 1.740 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CCOC(C)(C)C1 ZINC001579467386 985968389 /nfs/dbraw/zinc/96/83/89/985968389.db2.gz AQHSMTLQKAMLCW-GMTAPVOTSA-N 2 0 212.337 1.142 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)CCO1 ZINC001579470868 985976455 /nfs/dbraw/zinc/97/64/55/985976455.db2.gz KVAVJNHNBUCSTA-LPWJVIDDSA-N 2 0 224.348 1.367 20 0 BDADRP Cc1c[nH]c(=O)c(C[NH2+]C[C@H]2CC[NH2+][C@H](C)C2)c1 ZINC001579544068 986073525 /nfs/dbraw/zinc/07/35/25/986073525.db2.gz QDXNRSDWPDPGPJ-NEPJUHHUSA-N 2 0 249.358 1.573 20 0 BDADRP Cc1cc(C)c2c(c1)CC[N@@H+](C[C@@](C)(O)C[NH3+])C2 ZINC001579576802 986092698 /nfs/dbraw/zinc/09/26/98/986092698.db2.gz OFAKOHZZGSUGRC-HNNXBMFYSA-N 2 0 248.370 1.371 20 0 BDADRP Cc1cc(C[N@H+](C)CC2CC[NH2+]CC2)ncn1 ZINC001579593064 986105237 /nfs/dbraw/zinc/10/52/37/986105237.db2.gz UCFNOOGCJCWQRJ-UHFFFAOYSA-N 2 0 234.347 1.216 20 0 BDADRP Cc1cc(CNC[C@H]2C[NH2+]CCCO2)cc(C)n1 ZINC001579601071 986122579 /nfs/dbraw/zinc/12/25/79/986122579.db2.gz IVRCDQUTOYIYID-CQSZACIVSA-N 2 0 249.358 1.167 20 0 BDADRP COCC(C)(C)C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001461829135 986197108 /nfs/dbraw/zinc/19/71/08/986197108.db2.gz KTWUGHDCQMHURJ-YNEHKIRRSA-N 2 0 240.391 1.589 20 0 BDADRP Cc1cccc(C[C@@H](C)[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c1 ZINC001579759529 986207615 /nfs/dbraw/zinc/20/76/15/986207615.db2.gz LXVWQNUVDKTYDH-BPLDGKMQSA-N 2 0 248.370 1.096 20 0 BDADRP COCCC1CC[NH+](CCCC[NH3+])CC1 ZINC000707431820 986293575 /nfs/dbraw/zinc/29/35/75/986293575.db2.gz DKWHBRFZUHBEDM-UHFFFAOYSA-N 2 0 214.353 1.474 20 0 BDADRP Cc1nnc(C[NH2+]C2CC3(CC([NH3+])C3)C2)s1 ZINC001579901161 986319411 /nfs/dbraw/zinc/31/94/11/986319411.db2.gz RZSQIESZORJZJO-UHFFFAOYSA-N 2 0 238.360 1.206 20 0 BDADRP Clc1ccc(CC[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC001579937897 986356652 /nfs/dbraw/zinc/35/66/52/986356652.db2.gz CZCZMHLDVNCGOP-ITGUQSILSA-N 2 0 236.746 1.690 20 0 BDADRP Cn1cc([C@@H]2C[C@H]2C[NH2+][C@H]2CC[C@H](C[NH3+])C2)cn1 ZINC001579969097 986369158 /nfs/dbraw/zinc/36/91/58/986369158.db2.gz CZXCYEXGCYVFOZ-AUZPSNTRSA-N 2 0 248.374 1.241 20 0 BDADRP Cn1cc(Cl)c(C[NH2+]C2CC3(C[C@@H]3[NH3+])C2)n1 ZINC001579965790 986369473 /nfs/dbraw/zinc/36/94/73/986369473.db2.gz YKVHLTGCEGSJJN-QUVIFTBZSA-N 2 0 240.738 1.043 20 0 BDADRP Cn1ncc(C[NH3+])c1C[NH2+][C@@H]1C[C@H]2CCC[C@H]21 ZINC001580002557 986403226 /nfs/dbraw/zinc/40/32/26/986403226.db2.gz ZGQWLKHXIBJMQO-YUSALJHKSA-N 2 0 234.347 1.157 20 0 BDADRP Cn1ncc2c1CCC[N@H+](C[C@H]1CC[C@@H]([NH3+])C1)C2 ZINC001580009518 986409030 /nfs/dbraw/zinc/40/90/30/986409030.db2.gz SSOPFXACNLWQRZ-WCQYABFASA-N 2 0 248.374 1.296 20 0 BDADRP CC(C)[C@H](O)C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC001253781928 986417162 /nfs/dbraw/zinc/41/71/62/986417162.db2.gz DPUQTRJUUDTJAQ-CQSZACIVSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@]1(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1(F)F ZINC000689260495 986469442 /nfs/dbraw/zinc/46/94/42/986469442.db2.gz IAFIYMOJWWYJOR-NCKSRDSBSA-N 2 0 242.313 1.618 20 0 BDADRP CC[C@H](C)C[NH2+]C[C@H]1C[NH+]2CCC1CC2 ZINC001462638350 986480974 /nfs/dbraw/zinc/48/09/74/986480974.db2.gz YGGFNQSMYIDLGP-AAEUAGOBSA-N 2 0 210.365 1.964 20 0 BDADRP C[C@H](O)[C@H](C)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC001262491798 986562516 /nfs/dbraw/zinc/56/25/16/986562516.db2.gz PHPOVEZRVPYIJA-FEPKRQSRSA-N 2 0 240.391 1.752 20 0 BDADRP [NH3+][C@H](C[NH2+]CC(O)(C1CC1)C1CC1)CC(F)F ZINC001580132069 986603461 /nfs/dbraw/zinc/60/34/61/986603461.db2.gz KRIGTOACJDRZHH-JTQLQIEISA-N 2 0 248.317 1.110 20 0 BDADRP [NH3+]C1(CC[N@@H+]2CC[C@@H]2C2CC2)CCOCC1 ZINC001580143951 986615237 /nfs/dbraw/zinc/61/52/37/986615237.db2.gz HQLFMCHIXCWJEE-GFCCVEGCSA-N 2 0 224.348 1.369 20 0 BDADRP [NH3+][C@H]1CC12CC([NH2+]CC[C@@H](O)C1CCCC1)C2 ZINC001580164816 986636605 /nfs/dbraw/zinc/63/66/05/986636605.db2.gz JWIUTWNQWPIQCH-DKNRTOFZSA-N 2 0 238.375 1.397 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+]CC[C@@H]1CCCC[C@@H]1O)C2 ZINC001580164337 986637829 /nfs/dbraw/zinc/63/78/29/986637829.db2.gz HJYOTLPXSNKGQR-AQPKCQGTSA-N 2 0 238.375 1.397 20 0 BDADRP [NH3+]C1CC2(C1)CC([NH2+][C@@H]1CCn3ccnc31)C2 ZINC001580167009 986640897 /nfs/dbraw/zinc/64/08/97/986640897.db2.gz ZJWSMSKTIBCJHA-XPOXDWOYSA-N 2 0 232.331 1.187 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+][C@H]1CCCn3nccc31)C2 ZINC001580167208 986645375 /nfs/dbraw/zinc/64/53/75/986645375.db2.gz VSBYSULJJDKWQK-CXFXUWLJSA-N 2 0 232.331 1.187 20 0 BDADRP COC1CC[NH+]([C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254516159 986653378 /nfs/dbraw/zinc/65/33/78/986653378.db2.gz JHGZEIWDSAEXGE-LBPRGKRZSA-N 2 0 226.364 1.582 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH+]2CCC[C@@](C)(O)CC2)CC1 ZINC001254515983 986655657 /nfs/dbraw/zinc/65/56/57/986655657.db2.gz IBCLIWQAMCFIQA-ZIAGYGMSSA-N 2 0 240.391 1.708 20 0 BDADRP C[NH+](C)[C@H]1CCCN([C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254523630 986671984 /nfs/dbraw/zinc/67/19/84/986671984.db2.gz QJURLFBWLOQYLB-KGLIPLIRSA-N 2 0 239.407 1.497 20 0 BDADRP C[N@@H+]1CCC[C@H](N2CC3(CSC3)C2)CC1 ZINC001254529029 986674037 /nfs/dbraw/zinc/67/40/37/986674037.db2.gz BYKBTYCKCIFRQM-NSHDSACASA-N 2 0 226.389 1.520 20 0 BDADRP [NH3+]CC1(C[NH2+]C[C@H](O)Cc2ccccc2)CCC1 ZINC001580243979 986693549 /nfs/dbraw/zinc/69/35/49/986693549.db2.gz NHMSXRFUCNVMTC-CQSZACIVSA-N 2 0 248.370 1.309 20 0 BDADRP [NH3+]CC1(C[NH2+][C@@H](CCO)C2CCCC2)CCC1 ZINC001580244120 986697617 /nfs/dbraw/zinc/69/76/17/986697617.db2.gz PQZYQLPSOASDTA-ZDUSSCGKSA-N 2 0 240.391 1.646 20 0 BDADRP [NH3+]CC12CCC(CC1)[N@@H+]2CCC1(O)CCC1 ZINC001580248172 986703349 /nfs/dbraw/zinc/70/33/49/986703349.db2.gz NZPFLAZSDJNOIX-UHFFFAOYSA-N 2 0 224.348 1.247 20 0 BDADRP C[NH+](C)[C@H]1CCN([C@@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254853873 986730894 /nfs/dbraw/zinc/73/08/94/986730894.db2.gz SYHDMBAOPLKMGU-UONOGXRCSA-N 2 0 237.391 1.107 20 0 BDADRP C[NH+](C)[C@H]1CCN([C@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254853872 986733425 /nfs/dbraw/zinc/73/34/25/986733425.db2.gz SYHDMBAOPLKMGU-KBPBESRZSA-N 2 0 237.391 1.107 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC001580293101 986735112 /nfs/dbraw/zinc/73/51/12/986735112.db2.gz QOQZPYBJIYCYNT-UONOGXRCSA-N 2 0 240.391 1.600 20 0 BDADRP [NH3+]CCCOCC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC001580301095 986736395 /nfs/dbraw/zinc/73/63/95/986736395.db2.gz RWWWNRLYPHIPQP-WOPDTQHZSA-N 2 0 212.337 1.130 20 0 BDADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC001580333827 986777036 /nfs/dbraw/zinc/77/70/36/986777036.db2.gz QBIIZXRGCWKCBR-CLSQCYNNSA-N 2 0 236.359 1.127 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+][C@H]2CCOC2)cc1 ZINC001580339432 986780709 /nfs/dbraw/zinc/78/07/09/986780709.db2.gz LXUQYHQGKLXMKE-LBPRGKRZSA-N 2 0 206.289 1.024 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+]Cc2ccncc2)C1 ZINC001580389905 986815769 /nfs/dbraw/zinc/81/57/69/986815769.db2.gz WNVGUFGUDMPLRR-NWDGAFQWSA-N 2 0 205.305 1.299 20 0 BDADRP CC[NH+]1CCC(N2CCCC[C@@H](C[NH3+])C2)CC1 ZINC000383652602 986819311 /nfs/dbraw/zinc/81/93/11/986819311.db2.gz DVJBSQSKHZMXNI-ZDUSSCGKSA-N 2 0 239.407 1.532 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2C[C@H]2C(F)(F)F)C1 ZINC001580421435 986838860 /nfs/dbraw/zinc/83/88/60/986838860.db2.gz KLAZKIXEFJLHBI-ULAWRXDQSA-N 2 0 208.227 1.264 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC001580430787 986847490 /nfs/dbraw/zinc/84/74/90/986847490.db2.gz ZPOXHQZKSCVOSD-VLJOUNFMSA-N 2 0 236.359 1.413 20 0 BDADRP CC(C)N(C[C@H](C)[NH3+])[C@H]1CCC[NH2+]CC1 ZINC001206583026 986902384 /nfs/dbraw/zinc/90/23/84/986902384.db2.gz RVUMKSRSOSQZII-RYUDHWBXSA-N 2 0 213.369 1.186 20 0 BDADRP CN1CC[C@@H]([NH2+]CCCC2CC[NH+](C)CC2)C1 ZINC001255422194 986945526 /nfs/dbraw/zinc/94/55/26/986945526.db2.gz WARHTOIETKHTEV-CQSZACIVSA-N 2 0 239.407 1.402 20 0 BDADRP [NH3+]Cc1cccc(-c2ccncc2C[NH3+])c1F ZINC001245560439 986955297 /nfs/dbraw/zinc/95/52/97/986955297.db2.gz LVZDGUPPHXRCGW-UHFFFAOYSA-N 2 0 231.274 1.805 20 0 BDADRP C[N@@H+]1CC[C@H](N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC001255438853 986962888 /nfs/dbraw/zinc/96/28/88/986962888.db2.gz PFLRXOVDVQBITI-KGLIPLIRSA-N 2 0 237.391 1.251 20 0 BDADRP CN1CCC[C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)C1 ZINC001255469893 986971738 /nfs/dbraw/zinc/97/17/38/986971738.db2.gz GITYFWLHGHXPEM-ZIAGYGMSSA-N 2 0 239.407 1.402 20 0 BDADRP CCC[C@H](O)C[NH2+]C[C@H]1CCC[NH2+][C@@H]1C ZINC001245981548 987256300 /nfs/dbraw/zinc/25/63/00/987256300.db2.gz HZPXYOZOVRYYHB-UTUOFQBUSA-N 2 0 214.353 1.125 20 0 BDADRP CCCC[C@H](O)C[NH2+]C[C@@H]1C[NH2+]CC[C@H]1C ZINC001245985568 987266013 /nfs/dbraw/zinc/26/60/13/987266013.db2.gz UQEXBTBFMLGAQV-AGIUHOORSA-N 2 0 228.380 1.373 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1C[NH2+]C[C@H](O)C(C)(C)C ZINC001245985466 987267123 /nfs/dbraw/zinc/26/71/23/987267123.db2.gz UBJJWKNQMRGMQU-UTUOFQBUSA-N 2 0 228.380 1.229 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](C[NH2+]C[C@H](O)c2ccccc2)C1 ZINC001245993070 987269286 /nfs/dbraw/zinc/26/92/86/987269286.db2.gz MPERWKFIBUEQEO-YDHLFZDLSA-N 2 0 248.370 1.555 20 0 BDADRP CCCCC[C@H](O)C[NH2+]C[C@H]([NH3+])CC ZINC001246005101 987285671 /nfs/dbraw/zinc/28/56/71/987285671.db2.gz QRQPGGHRGXLPGQ-MNOVXSKESA-N 2 0 202.342 1.255 20 0 BDADRP CC(C)(C)[C@@H](O)C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001246016567 987302905 /nfs/dbraw/zinc/30/29/05/987302905.db2.gz LZVRSJDHEDJVEH-QWRGUYRKSA-N 2 0 214.353 1.207 20 0 BDADRP CCCC[C@@H](O)C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246020609 987305597 /nfs/dbraw/zinc/30/55/97/987305597.db2.gz IWHJAHBYATZLGE-ZIAGYGMSSA-N 2 0 242.407 1.988 20 0 BDADRP CCCC[C@@H](O)C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246028356 987325399 /nfs/dbraw/zinc/32/53/99/987325399.db2.gz BFWUWWBTXDDOIV-CHWSQXEVSA-N 2 0 228.380 1.598 20 0 BDADRP CC(C)[C@H](O)C[N@@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001246031482 987331068 /nfs/dbraw/zinc/33/10/68/987331068.db2.gz QBHWLCCBOCGZGW-YNEHKIRRSA-N 2 0 228.380 1.310 20 0 BDADRP C[C@@H](CO)[C@@H]1CCCC[N@@H+]1CCCCCC[NH3+] ZINC000696789853 987343438 /nfs/dbraw/zinc/34/34/38/987343438.db2.gz RKQQAYCYMIBWAK-KBPBESRZSA-N 2 0 242.407 1.988 20 0 BDADRP C[C@H]1C[C@@H]([NH2+][C@H]2CCCC[C@@H]2O)CC[NH2+]1 ZINC001246073236 987359474 /nfs/dbraw/zinc/35/94/74/987359474.db2.gz RSDLDCLGUIFKNF-BJDJZHNGSA-N 2 0 212.337 1.020 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@](C)(O)c2ccccc2)CC[NH2+]1 ZINC001246073414 987361158 /nfs/dbraw/zinc/36/11/58/987361158.db2.gz VJCBJTSVLLBBTJ-VHDGCEQUSA-N 2 0 248.370 1.624 20 0 BDADRP C[C@@H]1C[C@H](N[C@H](C[NH3+])c2ccccc2)CC[NH2+]1 ZINC001246075895 987365461 /nfs/dbraw/zinc/36/54/61/987365461.db2.gz LYVKZVNRXZWOJK-MRVWCRGKSA-N 2 0 233.359 1.417 20 0 BDADRP [NH3+]C1(CN[C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CCCC1 ZINC001246076254 987367117 /nfs/dbraw/zinc/36/71/17/987367117.db2.gz NZUWROBYUFSBJH-ITGUQSILSA-N 2 0 237.391 1.521 20 0 BDADRP CCOC(=O)CC[C@H](C)[NH2+]C1CC[NH2+]CC1 ZINC001246077736 987368037 /nfs/dbraw/zinc/36/80/37/987368037.db2.gz KAVWODJHYBFHOY-JTQLQIEISA-N 2 0 228.336 1.060 20 0 BDADRP C[C@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000699314181 987372892 /nfs/dbraw/zinc/37/28/92/987372892.db2.gz IUIALRAWVUTQQA-WODVXLOZSA-N 2 0 224.348 1.238 20 0 BDADRP C[C@]1(CNC2CC[NH2+]CC2)CCCC[NH2+]C1 ZINC001246089055 987390977 /nfs/dbraw/zinc/39/09/77/987390977.db2.gz BDJAKRZKJDGLSA-ZDUSSCGKSA-N 2 0 225.380 1.108 20 0 BDADRP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H](F)C2)CC[NH2+]1 ZINC001246090741 987396552 /nfs/dbraw/zinc/39/65/52/987396552.db2.gz YQISGFPRSHYVQF-QCNOEVLYSA-N 2 0 214.328 1.997 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+][C@H]2CCCC[NH2+]C2)CCO1 ZINC001246090951 987398537 /nfs/dbraw/zinc/39/85/37/987398537.db2.gz NRBVWISANANETJ-FRRDWIJNSA-N 2 0 226.364 1.676 20 0 BDADRP CCCC[C@@H]1C[C@H](N[C@]2(C)CC[NH2+]C2)CC[NH2+]1 ZINC001246095450 987406436 /nfs/dbraw/zinc/40/64/36/987406436.db2.gz GGPJEQBCFYZPAC-MGPQQGTHSA-N 2 0 239.407 1.639 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1CCCC[NH2+]C1 ZINC001246097325 987407762 /nfs/dbraw/zinc/40/77/62/987407762.db2.gz OCZQSWRTCITVME-JHJVBQTASA-N 2 0 225.380 1.106 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCC[NH2+]CC2)C[NH2+]1 ZINC001246096462 987408427 /nfs/dbraw/zinc/40/84/27/987408427.db2.gz UYUOYSUTTDQCHU-AGIUHOORSA-N 3 0 225.380 1.106 20 0 BDADRP C[C@H]1CC[C@@H](CNC2C[C@@H]3C=C[C@H](C2)[NH2+]3)C[NH2+]1 ZINC001246097528 987408676 /nfs/dbraw/zinc/40/86/76/987408676.db2.gz ORNCNGANRGCPNX-IZXDZPFWSA-N 2 0 235.375 1.023 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCC[NH2+]CC2)C[NH2+]1 ZINC001246096464 987410390 /nfs/dbraw/zinc/41/03/90/987410390.db2.gz UYUOYSUTTDQCHU-JHJVBQTASA-N 3 0 225.380 1.106 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](C[NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC001246099090 987412351 /nfs/dbraw/zinc/41/23/51/987412351.db2.gz LMIWZIGWZSCNRM-AVGNSLFASA-N 2 0 240.391 1.779 20 0 BDADRP CC(C)([NH3+])C[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246098734 987412955 /nfs/dbraw/zinc/41/29/55/987412955.db2.gz DGUZWSPWPBYYMZ-UHFFFAOYSA-N 3 0 239.407 1.626 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@@H](C)C2)C1 ZINC001246098554 987413519 /nfs/dbraw/zinc/41/35/19/987413519.db2.gz JVELDMQJLMFHTL-XDQVBPFNSA-N 2 0 240.391 1.779 20 0 BDADRP C[NH2+]C1CCC([NH2+]C[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246098923 987414824 /nfs/dbraw/zinc/41/48/24/987414824.db2.gz QKWOHQLURWQQFA-MRFVTOPCSA-N 3 0 239.407 1.495 20 0 BDADRP C[C@@H](Cc1ccccn1)[NH2+]C[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001246099671 987419533 /nfs/dbraw/zinc/41/95/33/987419533.db2.gz MHGKPVFXXNFLMN-IHRRRGAJSA-N 2 0 247.386 1.848 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@H]2CCCOCC2)C[NH2+]1 ZINC001246099424 987420030 /nfs/dbraw/zinc/42/00/30/987420030.db2.gz QZFHMWAAMXFTMW-AGIUHOORSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H]1CC[C@H](CNC2C[C@@H]3C=C[C@H](C2)[NH2+]3)[NH2+]C1 ZINC001246102333 987424060 /nfs/dbraw/zinc/42/40/60/987424060.db2.gz DBTDOVTYNJOJFK-UKIXVXPJSA-N 2 0 235.375 1.023 20 0 BDADRP C[NH2+]CC[C@@H](C)NC[C@@]1(C)CCCC[NH2+]C1 ZINC001246104103 987428011 /nfs/dbraw/zinc/42/80/11/987428011.db2.gz UJPWITDYDHEMLT-OLZOCXBDSA-N 2 0 227.396 1.354 20 0 BDADRP CC[C@H]1C[C@H](N[C@@H]2C[NH2+]CC[C@H]2C)CC[NH2+]1 ZINC001246103522 987429846 /nfs/dbraw/zinc/42/98/46/987429846.db2.gz WCMZDTFIHVIQDO-YVECIDJPSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@H](Cc1ccncc1)[NH2+]C[C@H]1CCC[NH2+][C@@H]1C ZINC001246106135 987431675 /nfs/dbraw/zinc/43/16/75/987431675.db2.gz DEQDDNVDGQDWQX-UMVBOHGHSA-N 2 0 247.386 1.990 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+][C@@H]2C)CCO1 ZINC001246105714 987433546 /nfs/dbraw/zinc/43/35/46/987433546.db2.gz CFZPLKIIQONHBH-XJFOESAGSA-N 2 0 240.391 1.922 20 0 BDADRP C[NH2+]CC[C@H](C)[NH2+]C[C@H]1CC[NH2+]CC[C@@H]1C ZINC001246107006 987433817 /nfs/dbraw/zinc/43/38/17/987433817.db2.gz GMLMXZJAITWKCZ-RWMBFGLXSA-N 3 0 227.396 1.210 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCCC2CC[NH2+]CC2)CC[NH2+]1 ZINC001246106302 987436177 /nfs/dbraw/zinc/43/61/77/987436177.db2.gz PKEOJITZFBLBBC-GXTWGEPZSA-N 3 0 239.407 1.496 20 0 BDADRP C[C@H]1CC[NH2+]C[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246108043 987438186 /nfs/dbraw/zinc/43/81/86/987438186.db2.gz BVLBOLLZIJCMSK-IZXDZPFWSA-N 2 0 237.391 1.105 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+][C@H]2CCC3(C[NH2+]C3)C2)[NH2+]C1 ZINC001246107326 987438743 /nfs/dbraw/zinc/43/87/43/987438743.db2.gz FWLDQVQUIJPMEV-AGIUHOORSA-N 3 0 237.391 1.106 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2C)CCO1 ZINC001246110359 987440932 /nfs/dbraw/zinc/44/09/32/987440932.db2.gz HVCNSPWYBJPERW-QNWHQSFQSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@@H]1CC[C@H](CN[C@@H]2CCC[N@H+](C)C2)[NH2+]C1 ZINC001246111286 987444806 /nfs/dbraw/zinc/44/48/06/987444806.db2.gz JATSZAKHKONSFN-JHJVBQTASA-N 2 0 225.380 1.058 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCC2CC[NH2+]CC2)CC[NH2+]1 ZINC001246112401 987446578 /nfs/dbraw/zinc/44/65/78/987446578.db2.gz SFLFPXDBOMHRCL-WCQYABFASA-N 2 0 225.380 1.106 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1C[NH2+][C@@H]1CCSC1 ZINC001246113867 987449945 /nfs/dbraw/zinc/44/99/45/987449945.db2.gz ULUDGPMYJUDADM-GARJFASQSA-N 2 0 214.378 1.470 20 0 BDADRP C[C@H]1CC[C@@H](CNC2CC[NH+](C)CC2)[NH2+]C1 ZINC001246115939 987455541 /nfs/dbraw/zinc/45/55/41/987455541.db2.gz UBFXFGWJPUCYRL-AAEUAGOBSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1CN[C@@H]1CCC[N@H+](C)CC1 ZINC001246117235 987460902 /nfs/dbraw/zinc/46/09/02/987460902.db2.gz YIMOREFDAULWJE-MGPQQGTHSA-N 2 0 239.407 1.306 20 0 BDADRP C[C@@H]([NH3+])c1nc2ccccc2n1[C@@H]1CCC[NH2+]C1 ZINC001246121887 987467353 /nfs/dbraw/zinc/46/73/53/987467353.db2.gz UYTBTCKRFYUYIB-GHMZBOCLSA-N 2 0 244.342 1.981 20 0 BDADRP CCCC[C@H]1C[C@@H](NC2(C)C[NH2+]C2)CC[NH2+]1 ZINC001246123216 987469780 /nfs/dbraw/zinc/46/97/80/987469780.db2.gz UJPMAKSHHFNDFF-RYUDHWBXSA-N 2 0 225.380 1.249 20 0 BDADRP CC(C)(C)[C@@H]1C[C@H](NC2(C)C[NH2+]C2)CC[NH2+]1 ZINC001246125153 987473237 /nfs/dbraw/zinc/47/32/37/987473237.db2.gz YGCJTLOLVNMKRK-MNOVXSKESA-N 2 0 225.380 1.105 20 0 BDADRP C1CC12C[NH2+]C[C@@H]2N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246127835 987478481 /nfs/dbraw/zinc/47/84/81/987478481.db2.gz CHYYIHBFRQEVNJ-NEPJUHHUSA-N 2 0 235.375 1.003 20 0 BDADRP C[C@@H]1C[C@@H](N[C@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)CC[NH2+]1 ZINC001246132757 987484683 /nfs/dbraw/zinc/48/46/83/987484683.db2.gz NPWGDBBOQXXEQB-DGTMBMJNSA-N 2 0 237.391 1.105 20 0 BDADRP CC1CCC([NH2+][C@H]2C[NH2+]CC23CC3)CC1 ZINC001246135806 987486632 /nfs/dbraw/zinc/48/66/32/987486632.db2.gz VOBZQYOATFOSOG-MCIGGMRASA-N 2 0 208.349 1.907 20 0 BDADRP CC[C@@H]1C[C@@H](N[C@]23C[C@H]2C[NH2+]C3)C[C@H](CC)[NH2+]1 ZINC001246133496 987488341 /nfs/dbraw/zinc/48/83/41/987488341.db2.gz JRNIQOPLAHACOY-HPCHECBXSA-N 2 0 237.391 1.247 20 0 BDADRP c1cc2c(s1)[C@H](N[C@H]1CCC[NH2+]C1)C[NH2+]C2 ZINC001246144778 987504662 /nfs/dbraw/zinc/50/46/62/987504662.db2.gz VABVSGRSYGRBAL-WDEREUQCSA-N 2 0 237.372 1.234 20 0 BDADRP CCCC[C@@H](CCC)[NH2+][C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001246146264 987505088 /nfs/dbraw/zinc/50/50/88/987505088.db2.gz GHWJTYFSZIJNKK-YIYPIFLZSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)CC[NH2+]1 ZINC001246147995 987507531 /nfs/dbraw/zinc/50/75/31/987507531.db2.gz NPWGDBBOQXXEQB-XGFWRYKXSA-N 2 0 237.391 1.105 20 0 BDADRP C[C@H]1CC[C@H]([NH2+]C[C@H]2CC[C@H]([NH3+])CC2)CN1 ZINC001246165342 987526382 /nfs/dbraw/zinc/52/63/82/987526382.db2.gz QKXGGVHFZVLPLI-CYDGBPFRSA-N 2 0 225.380 1.234 20 0 BDADRP c1ccc(C[NH2+]CCN[C@@H]2CCC[NH2+]CC2)cc1 ZINC001246164879 987526841 /nfs/dbraw/zinc/52/68/41/987526841.db2.gz COLLUVMMMINYTI-OAHLLOKOSA-N 2 0 247.386 1.508 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CCCCCC[NH3+])CN1 ZINC001246165237 987529344 /nfs/dbraw/zinc/52/93/44/987529344.db2.gz QDHGUJCAMSOEOB-NEPJUHHUSA-N 2 0 213.369 1.236 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C(C)(C)C ZINC001246169281 987531757 /nfs/dbraw/zinc/53/17/57/987531757.db2.gz CMXVUMWJIVMEMX-GHMZBOCLSA-N 2 0 225.380 1.105 20 0 BDADRP [NH3+]Cc1c(F)cccc1NC1CC[NH2+]CC1 ZINC001246169750 987533952 /nfs/dbraw/zinc/53/39/52/987533952.db2.gz JRDJGCOJZVXSKX-UHFFFAOYSA-N 2 0 223.295 1.448 20 0 BDADRP C[C@H]1C[C@@H](Nc2cccc(F)c2C[NH3+])CC[NH2+]1 ZINC001246173818 987538117 /nfs/dbraw/zinc/53/81/17/987538117.db2.gz VTUTWHIRYGSFSZ-UWVGGRQHSA-N 2 0 237.322 1.837 20 0 BDADRP C[C@@H]1CC[C@@H](Nc2cccc(F)c2C[NH3+])C[NH2+]1 ZINC001246175436 987541850 /nfs/dbraw/zinc/54/18/50/987541850.db2.gz ZFWQODIUROUHGA-NXEZZACHSA-N 2 0 237.322 1.837 20 0 BDADRP Cc1cnc(CC[NH3+])n1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246176038 987543690 /nfs/dbraw/zinc/54/36/90/987543690.db2.gz JXTRRCMHSPHOHO-MWLCHTKSSA-N 2 0 222.336 1.006 20 0 BDADRP [NH2+]=C(N[C@@H]1CCC[NH2+]C1)c1ccc(F)c(F)c1 ZINC001246175214 987545784 /nfs/dbraw/zinc/54/57/84/987545784.db2.gz IJOLXNZTSXREHK-SECBINFHSA-N 2 0 239.269 1.632 20 0 BDADRP CCCN(CCC[NH3+])[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246180935 987552275 /nfs/dbraw/zinc/55/22/75/987552275.db2.gz UWGILIVCJMSGBL-NWDGAFQWSA-N 2 0 213.369 1.188 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC23CC[NH2+]CC3)CC[NH2+]1 ZINC001246180768 987553525 /nfs/dbraw/zinc/55/35/25/987553525.db2.gz PITSUCPBQHOKGI-UPJWGTAASA-N 3 0 237.391 1.106 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC23CC[NH2+]CC3)CC[NH2+]1 ZINC001246180765 987554678 /nfs/dbraw/zinc/55/46/78/987554678.db2.gz PITSUCPBQHOKGI-AGIUHOORSA-N 3 0 237.391 1.106 20 0 BDADRP CCOC(=O)CCC[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC001246186930 987566891 /nfs/dbraw/zinc/56/68/91/987566891.db2.gz JHGMOVAXPANMKJ-VXGBXAGGSA-N 2 0 242.363 1.450 20 0 BDADRP CCOC(=O)C[C@@H](C)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC001246194028 987583091 /nfs/dbraw/zinc/58/30/91/987583091.db2.gz QBTJGLFBYJZIPI-GMTAPVOTSA-N 2 0 228.336 1.058 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CC(C)(C)c2cnccn2)CC[NH2+]1 ZINC001246197206 987589978 /nfs/dbraw/zinc/58/99/78/987589978.db2.gz ZJCIKRYAXOSANI-RYUDHWBXSA-N 2 0 248.374 1.484 20 0 BDADRP C[C@@H]1C[C@@H](NC[C@H]2CCC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC001246199301 987594146 /nfs/dbraw/zinc/59/41/46/987594146.db2.gz UNADWJIHOKRRKP-RNJOBUHISA-N 2 0 225.380 1.105 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])CC2)CC[NH2+]1 ZINC001246199952 987596884 /nfs/dbraw/zinc/59/68/84/987596884.db2.gz BYVKCKAZCFOIEX-WUHRBBMRSA-N 3 0 225.380 1.234 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CC[C@H]2CC[C@@H]([NH3+])CC2)CC[NH2+]1 ZINC001246202084 987598747 /nfs/dbraw/zinc/59/87/47/987598747.db2.gz MNPKQCOQGUBJDS-FQUUOJAGSA-N 3 0 239.407 1.624 20 0 BDADRP COC(=O)CCCCC[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC001246203004 987598802 /nfs/dbraw/zinc/59/88/02/987598802.db2.gz UXAPPCVZCYRNEK-VXGBXAGGSA-N 2 0 242.363 1.450 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@H](F)C2)CC[NH2+]1 ZINC001246216826 987614715 /nfs/dbraw/zinc/61/47/15/987614715.db2.gz IYRNZLDJNGYRBY-XWLWVQCSSA-N 2 0 200.301 1.465 20 0 BDADRP OCC1([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCC1 ZINC001246202586 987599533 /nfs/dbraw/zinc/59/95/33/987599533.db2.gz JYYIVXIYNNXLKQ-FOSCPWQOSA-N 2 0 224.348 1.164 20 0 BDADRP CCCC[C@H]1C[C@@H]([NH2+]CCCC[NH2+]C)CC[NH2+]1 ZINC001246206098 987602537 /nfs/dbraw/zinc/60/25/37/987602537.db2.gz XMJGENXVFCTZSI-KBPBESRZSA-N 3 0 241.423 1.886 20 0 BDADRP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CC[NH2+]1 ZINC001246210336 987606432 /nfs/dbraw/zinc/60/64/32/987606432.db2.gz MTDILRVQCFDAGN-CYDGBPFRSA-N 3 0 225.380 1.234 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CC[C@H]2CCC[NH2+]C2)CN1 ZINC001246226740 987621417 /nfs/dbraw/zinc/62/14/17/987621417.db2.gz BODOQMNJNKIHMC-JHJVBQTASA-N 2 0 225.380 1.106 20 0 BDADRP c1cnc2c(c1)[C@H](NC1CC[NH2+]CC1)CCC2 ZINC001246228843 987624526 /nfs/dbraw/zinc/62/45/26/987624526.db2.gz GTECSYCYIYQUFC-CQSZACIVSA-N 2 0 231.343 1.801 20 0 BDADRP C(C[C@H]1CCC[NH2+]C1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246229484 987625834 /nfs/dbraw/zinc/62/58/34/987625834.db2.gz JVVNRDNNHSNANO-CHWSQXEVSA-N 2 0 225.380 1.108 20 0 BDADRP CCCCC[C@H](C)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246236360 987635736 /nfs/dbraw/zinc/63/57/36/987635736.db2.gz WNAIGBRYKVUKIV-QWHCGFSZSA-N 2 0 239.407 1.639 20 0 BDADRP C[C@H]1CC[C@@H](n2ncc3cccc(C[NH3+])c32)C[NH2+]1 ZINC001246238499 987639162 /nfs/dbraw/zinc/63/91/62/987639162.db2.gz FZNNCCCQJMMUII-GXFFZTMASA-N 2 0 244.342 1.808 20 0 BDADRP C[C@@H]1C[C@H](n2ncc3c2cccc3C[NH3+])CC[NH2+]1 ZINC001246238703 987639177 /nfs/dbraw/zinc/63/91/77/987639177.db2.gz GDQNJLNJQDEMPM-ZYHUDNBSSA-N 2 0 244.342 1.808 20 0 BDADRP CC[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccncc1 ZINC001246241341 987642880 /nfs/dbraw/zinc/64/28/80/987642880.db2.gz ZNZAEZRSONAKAI-CYBMUJFWSA-N 2 0 219.332 1.874 20 0 BDADRP CC(C)(C[NH3+])CN[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246250766 987649234 /nfs/dbraw/zinc/64/92/34/987649234.db2.gz RNWHBZAYPMYZJX-VXGBXAGGSA-N 3 0 241.423 1.728 20 0 BDADRP C[C@H]1CC[C@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246261995 987654673 /nfs/dbraw/zinc/65/46/73/987654673.db2.gz GOIOPBIQEVZLAB-AVGNSLFASA-N 2 0 237.391 1.249 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[Si](C)(C)C)CC[NH2+]1 ZINC001246265524 987659846 /nfs/dbraw/zinc/65/98/46/987659846.db2.gz HULQKPPLNXKXTO-NXEZZACHSA-N 2 0 200.402 1.594 20 0 BDADRP [NH3+]CCc1cn([C@H]2CCC[NH2+]C2)c2cccnc12 ZINC001246263402 987660693 /nfs/dbraw/zinc/66/06/93/987660693.db2.gz GLBINRLUOVGIME-LBPRGKRZSA-N 2 0 244.342 1.462 20 0 BDADRP CC(C)[C@@H]1C[C@@H](NC2(C[NH3+])CCCC2)CC[NH2+]1 ZINC001246280675 987675216 /nfs/dbraw/zinc/67/52/16/987675216.db2.gz VEDLCPAMDIDCIG-STQMWFEESA-N 2 0 239.407 1.624 20 0 BDADRP C[NH2+]CC[C@@H](C)NCC1([NH3+])CCCCC1 ZINC001246280684 987676460 /nfs/dbraw/zinc/67/64/60/987676460.db2.gz VHTKUINIXZMOND-LLVKDONJSA-N 2 0 213.369 1.236 20 0 BDADRP COC(=O)CCCC[C@@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC001246298851 987694077 /nfs/dbraw/zinc/69/40/77/987694077.db2.gz CORRTDADBRNTFZ-WDEREUQCSA-N 2 0 230.352 1.435 20 0 BDADRP CC(C)(C)[C@@H]1C[C@@H](N[C@H]2CCC[C@H]2[NH3+])CC[NH2+]1 ZINC001246304628 987700998 /nfs/dbraw/zinc/70/09/98/987700998.db2.gz KRVKLIAYYRVWOC-RNJOBUHISA-N 2 0 239.407 1.623 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC(=O)C2)CC[NH2+]1 ZINC001246308351 987707540 /nfs/dbraw/zinc/70/75/40/987707540.db2.gz PYWYGCUXPFRMAO-GMTAPVOTSA-N 2 0 210.321 1.228 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC001246314760 987707724 /nfs/dbraw/zinc/70/77/24/987707724.db2.gz PUZRNIZBBGYGDG-HBNTYKKESA-N 2 0 200.326 1.271 20 0 BDADRP CC[C@@H]1C[C@H](NC[C@H]([NH3+])CC(C)C)CC[NH2+]1 ZINC001246311661 987711729 /nfs/dbraw/zinc/71/17/29/987711729.db2.gz QQXQMZGZTRISNG-JHJVBQTASA-N 2 0 227.396 1.480 20 0 BDADRP COC(=O)[C@@H]1CCC[C@@H]1N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246311626 987712606 /nfs/dbraw/zinc/71/26/06/987712606.db2.gz QJSXTCRJWFAAJX-YFKTTZPYSA-N 2 0 240.347 1.058 20 0 BDADRP CC[C@H]([NH3+])CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001246310975 987713014 /nfs/dbraw/zinc/71/30/14/987713014.db2.gz BJDBRTZAECGEGB-RVMXOQNASA-N 2 0 225.380 1.329 20 0 BDADRP CC[C@H]([NH3+])CNC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001246311494 987713225 /nfs/dbraw/zinc/71/32/25/987713225.db2.gz DTUGSCGWOMAUTP-NSHDSACASA-N 2 0 241.423 1.965 20 0 BDADRP C[C@@H]1CC[C@H](n2cccc2CC[NH3+])C[NH2+]1 ZINC001246310901 987713825 /nfs/dbraw/zinc/71/38/25/987713825.db2.gz OMRBPIVLSYYWQV-PWSUYJOCSA-N 2 0 207.321 1.302 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN[C@H]1CC[NH2+][C@H](C)C1 ZINC001246312566 987715985 /nfs/dbraw/zinc/71/59/85/987715985.db2.gz SQMYNBHJRWLREK-UTUOFQBUSA-N 2 0 213.369 1.090 20 0 BDADRP CC[C@H]([NH3+])CN[C@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246314081 987717254 /nfs/dbraw/zinc/71/72/54/987717254.db2.gz OJRCGEBXDJJDDX-SRVKXCTJSA-N 2 0 213.369 1.090 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@@H](C)Cc1ccncc1 ZINC001246312133 987717577 /nfs/dbraw/zinc/71/75/77/987717577.db2.gz GCQYYGVXCWHUAM-CMPLNLGQSA-N 2 0 207.321 1.340 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@@H](C(=O)OC)C1 ZINC001246312092 987717663 /nfs/dbraw/zinc/71/76/63/987717663.db2.gz FPOGXOITVCTBDU-OUAUKWLOSA-N 2 0 228.336 1.045 20 0 BDADRP CC[C@H]([NH3+])CN[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246315829 987719060 /nfs/dbraw/zinc/71/90/60/987719060.db2.gz WBRWKJQECHNHPR-TUAOUCFPSA-N 2 0 227.396 1.480 20 0 BDADRP [NH3+]C[C@H]1CN([C@H]2CCC[NH2+]C2)c2ccccc21 ZINC001246322357 987727506 /nfs/dbraw/zinc/72/75/06/987727506.db2.gz HGZQPOBBENKDCY-RYUDHWBXSA-N 2 0 231.343 1.301 20 0 BDADRP C[NH2+]CC[C@H](C)[NH2+]Cc1cccc(C[NH2+]C)c1 ZINC001246321046 987728759 /nfs/dbraw/zinc/72/87/59/987728759.db2.gz AQJKEDYQFXKOEK-LBPRGKRZSA-N 3 0 235.375 1.494 20 0 BDADRP c1ccc([C@H]2[NH2+]CCC[C@@H]2N[C@@H]2CC[NH2+]C2)cc1 ZINC001246323718 987728966 /nfs/dbraw/zinc/72/89/66/987728966.db2.gz DWIOJPKTIDJRQB-QLFBSQMISA-N 2 0 245.370 1.431 20 0 BDADRP C[C@@H]1C[C@@H](N[C@H]2CCC[NH2+][C@@H]2C)C[C@H](C)[NH2+]1 ZINC001246326405 987730694 /nfs/dbraw/zinc/73/06/94/987730694.db2.gz OKDISISQJBTOHP-MLGHIDQZSA-N 2 0 225.380 1.246 20 0 BDADRP CCCc1cc(C[NH3+])nn1[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246324684 987732468 /nfs/dbraw/zinc/73/24/68/987732468.db2.gz ZFSYOJJBWHHEHW-GXFFZTMASA-N 2 0 236.363 1.607 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246324421 987732522 /nfs/dbraw/zinc/73/25/22/987732522.db2.gz KTTNTBAKPNIORY-IYXRBSQSSA-N 3 0 239.407 1.483 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1CCC[NH2+]C1)C2 ZINC001246328529 987733584 /nfs/dbraw/zinc/73/35/84/987733584.db2.gz YRFSQOOUWGNXCT-SYQHCUMBSA-N 2 0 237.391 1.343 20 0 BDADRP CC1(C)CC[NH2+]C[C@H]1N[C@@H]1CCC[NH2+]CC1 ZINC001246329177 987733636 /nfs/dbraw/zinc/73/36/36/987733636.db2.gz LZXZKEVRURXBMR-VXGBXAGGSA-N 2 0 225.380 1.106 20 0 BDADRP CC[C@@H]1CC(NC[C@@H]([NH3+])C(C)C)C[C@@H](CC)[NH2+]1 ZINC001246332538 987737372 /nfs/dbraw/zinc/73/73/72/987737372.db2.gz NBFDPXSOOFQBIB-YRGRVCCFSA-N 2 0 241.423 1.869 20 0 BDADRP CC(=O)NCCCCC[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC001246335831 987744629 /nfs/dbraw/zinc/74/46/29/987744629.db2.gz MNDPDRYFLUHCCB-DGCLKSJQSA-N 2 0 241.379 1.023 20 0 BDADRP C[C@H]1C[C@@H](N[C@@H](C[NH3+])C(C)(C)C)CC[NH2+]1 ZINC001246343725 987751730 /nfs/dbraw/zinc/75/17/30/987751730.db2.gz HMJHSPVVIXUUNQ-DCAQKATOSA-N 2 0 213.369 1.090 20 0 BDADRP C[C@H]1CC[C@@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246358723 987768123 /nfs/dbraw/zinc/76/81/23/987768123.db2.gz GOIOPBIQEVZLAB-XQQFMLRXSA-N 2 0 237.391 1.249 20 0 BDADRP CC(C)C[N@@H+]1CC[C@H](N[C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246362152 987768628 /nfs/dbraw/zinc/76/86/28/987768628.db2.gz NLZFYKMUXHLQQK-MJBXVCDLSA-N 2 0 239.407 1.447 20 0 BDADRP C[C@@H]1CC[C@H](N[C@H]2CC[N@@H+](C3CCC3)C2)C[NH2+]1 ZINC001246359447 987768888 /nfs/dbraw/zinc/76/88/88/987768888.db2.gz BPNIRWHXPYTQOT-AGIUHOORSA-N 2 0 237.391 1.343 20 0 BDADRP CC[C@@H]1CC(N[C@H]2C[NH2+][C@H](C)C2)C[C@@H](CC)[NH2+]1 ZINC001246363181 987770167 /nfs/dbraw/zinc/77/01/67/987770167.db2.gz QFFNSAXYEYQIOF-HKUMRIAESA-N 2 0 239.407 1.636 20 0 BDADRP CCCCC[C@H](C)[NH2+]CCNCC[NH3+] ZINC001246402597 987782505 /nfs/dbraw/zinc/78/25/05/987782505.db2.gz AYDMIHSSUVKERX-NSHDSACASA-N 2 0 201.358 1.093 20 0 BDADRP CC(C)[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCCNC1 ZINC001246396124 987784500 /nfs/dbraw/zinc/78/45/00/987784500.db2.gz BRRSZFNORJDKDI-MGPQQGTHSA-N 2 0 239.407 1.719 20 0 BDADRP CCC[C@H](CC)[NH2+]CCCC[C@H]([NH3+])C(N)=O ZINC001246419375 987787380 /nfs/dbraw/zinc/78/73/80/987787380.db2.gz UOAYJRAMVNCIFE-QWRGUYRKSA-N 2 0 229.368 1.138 20 0 BDADRP CCc1ccc(C[C@H](C)[NH2+]CCNCC[NH3+])cc1 ZINC001246405371 987788813 /nfs/dbraw/zinc/78/88/13/987788813.db2.gz NYKITWUSSMCLJY-ZDUSSCGKSA-N 2 0 249.402 1.318 20 0 BDADRP CCCCC[C@@H](C)[NH2+]CCCC[C@H]([NH3+])C(N)=O ZINC001246415714 987790027 /nfs/dbraw/zinc/79/00/27/987790027.db2.gz JYLALINWXWTSLU-NEPJUHHUSA-N 2 0 243.395 1.528 20 0 BDADRP C[C@H]1CCC[C@@H]([NH2+]CCCC[C@H]([NH3+])C(N)=O)C1 ZINC001246412368 987790130 /nfs/dbraw/zinc/79/01/30/987790130.db2.gz CCLYATWGFWPCKV-TUAOUCFPSA-N 2 0 241.379 1.138 20 0 BDADRP CCC1(N[C@H]2CCCC[NH2+]C2)CC[NH2+]CC1 ZINC001246422886 987796166 /nfs/dbraw/zinc/79/61/66/987796166.db2.gz GDOMWKWJHZHVND-LBPRGKRZSA-N 2 0 225.380 1.250 20 0 BDADRP CCC1CCC([NH2+][C@@H]2CC23C[NH2+]C3)CC1 ZINC001246447240 987804986 /nfs/dbraw/zinc/80/49/86/987804986.db2.gz UVAJBOHGALNCBX-HTAVTVPLSA-N 2 0 208.349 1.907 20 0 BDADRP COC(=O)CCCC[C@H](C)[NH2+][C@H]1CC12C[NH2+]C2 ZINC001246446790 987806213 /nfs/dbraw/zinc/80/62/13/987806213.db2.gz UCFOXRBAJSGMLY-QWRGUYRKSA-N 2 0 240.347 1.060 20 0 BDADRP Clc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC13C[NH2+]C3)C2 ZINC001246447903 987806466 /nfs/dbraw/zinc/80/64/66/987806466.db2.gz XNMMGARKVMXWKA-OLZOCXBDSA-N 2 0 248.757 1.759 20 0 BDADRP Cc1ccc(C[C@H](C)[NH2+][C@H]2CC23C[NH2+]C3)cc1 ZINC001246448391 987806556 /nfs/dbraw/zinc/80/65/56/987806556.db2.gz YHLVGCZMIFPSOK-JSGCOSHPSA-N 2 0 230.355 1.878 20 0 BDADRP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2C3)CC[NH2+]1 ZINC001246454028 987808440 /nfs/dbraw/zinc/80/84/40/987808440.db2.gz BXLPBDGIAYMQSM-FPYNETTCSA-N 2 0 208.349 1.905 20 0 BDADRP CC[C@@]1(CN[C@@H]2CCCC[NH2+]C2)CCC[NH2+]1 ZINC001246455874 987813383 /nfs/dbraw/zinc/81/33/83/987813383.db2.gz KSWDJTSLYYXVKW-OLZOCXBDSA-N 2 0 225.380 1.250 20 0 BDADRP CCCC[C@@H](C)[NH2+]CCCNCCC[NH3+] ZINC001246455394 987813890 /nfs/dbraw/zinc/81/38/90/987813890.db2.gz WVMVOVJPGZIJOW-GFCCVEGCSA-N 2 0 215.385 1.483 20 0 BDADRP C[NH2+][C@H]1C[C@H]([NH2+]C2CCC3(CC[NH2+]C3)CC2)C1 ZINC001246458777 987816337 /nfs/dbraw/zinc/81/63/37/987816337.db2.gz BWHICGSHPFRRFT-AEBJDNRDSA-N 3 0 237.391 1.249 20 0 BDADRP C[C@@]1([NH3+])C[C@H]([NH2+][C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001246458498 987816827 /nfs/dbraw/zinc/81/68/27/987816827.db2.gz GTBJLIZATKUMDA-MQYQWHSLSA-N 3 0 237.391 1.378 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CCC[NH2+]CCCC[NH3+])C1 ZINC001246458750 987817685 /nfs/dbraw/zinc/81/76/85/987817685.db2.gz VCQGNTFWNOCWSY-OLZOCXBDSA-N 3 0 227.396 1.483 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H]1C[C@@H]2COC[C@H]12 ZINC001474759641 987818391 /nfs/dbraw/zinc/81/83/91/987818391.db2.gz RYCIKIKYRNLBCB-YIYPIFLZSA-N 2 0 240.391 1.731 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H]1C[C@@H]2COC[C@@H]21 ZINC001474759639 987819066 /nfs/dbraw/zinc/81/90/66/987819066.db2.gz RYCIKIKYRNLBCB-MQYQWHSLSA-N 2 0 240.391 1.731 20 0 BDADRP C[NH2+][C@H]1C[C@H](N[C@H]2CC[NH2+][C@@H](C(C)C)C2)C1 ZINC001246460463 987820878 /nfs/dbraw/zinc/82/08/78/987820878.db2.gz IHRBZBGNZDFQJU-ZDEQEGDKSA-N 2 0 225.380 1.103 20 0 BDADRP CC[C@@H]1C[C@H](N[C@H]2C[C@H]([NH2+]C)C2)C[C@H](CC)[NH2+]1 ZINC001246462986 987822020 /nfs/dbraw/zinc/82/20/20/987822020.db2.gz UEYJACIKKFGOKB-RVOPOGNISA-N 3 0 239.407 1.636 20 0 BDADRP CCCC[C@@H]1C[C@@H](N[C@H]2C[C@@](C)([NH3+])C2)CC[NH2+]1 ZINC001246467726 987826375 /nfs/dbraw/zinc/82/63/75/987826375.db2.gz ZSEXUBKUPPNYJB-RQJABVFESA-N 2 0 239.407 1.767 20 0 BDADRP COc1cnccc1CC[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC001246474884 987832617 /nfs/dbraw/zinc/83/26/17/987832617.db2.gz CDMBPBJRJYRPSU-AAEUAGOBSA-N 2 0 249.358 1.363 20 0 BDADRP [NH3+][C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCSC1 ZINC001246475346 987832772 /nfs/dbraw/zinc/83/27/72/987832772.db2.gz FZMBMJOCUMIKPQ-BBBLOLIVSA-N 2 0 200.351 1.351 20 0 BDADRP CC[C@@H]1C[C@H](N[C@H]2CCCC[C@H]2[NH3+])CC[NH2+]1 ZINC001246478337 987837982 /nfs/dbraw/zinc/83/79/82/987837982.db2.gz NZKOJHARIOAQOQ-LPWJVIDDSA-N 2 0 225.380 1.377 20 0 BDADRP [NH3+]C[C@H]1Cc2ccccc2CN1[C@H]1CCC[NH2+]C1 ZINC001246481071 987838739 /nfs/dbraw/zinc/83/87/39/987838739.db2.gz BOUAEVWDELXKEA-LSDHHAIUSA-N 2 0 245.370 1.124 20 0 BDADRP C[C@H]1CC[C@@H]([NH2+]C2CC3(C2)CCC[NH2+]C3)CN1 ZINC001246490524 987843297 /nfs/dbraw/zinc/84/32/97/987843297.db2.gz DCHPTFMRKFPNJC-MRFVTOPCSA-N 2 0 237.391 1.249 20 0 BDADRP CCCC(C[NH3+])(CCC)N[C@@H]1CCC[NH2+]C1 ZINC001246498297 987852283 /nfs/dbraw/zinc/85/22/83/987852283.db2.gz VTDMOUSQLDWXCO-GFCCVEGCSA-N 2 0 227.396 1.626 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246500058 987854555 /nfs/dbraw/zinc/85/45/55/987854555.db2.gz NYDDPDBFCYJZRD-LPWJVIDDSA-N 2 0 226.364 1.674 20 0 BDADRP CC(C)N([C@H]1CCC[NH2+]C1)C(C)(C)C[NH3+] ZINC001246503746 987855238 /nfs/dbraw/zinc/85/52/38/987855238.db2.gz MSMSQJZPBSAFEV-NSHDSACASA-N 2 0 213.369 1.186 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC[C@H](C)NC1)C1CC[NH2+]CC1 ZINC001246500212 987855354 /nfs/dbraw/zinc/85/53/54/987855354.db2.gz PWIYDUBDPYDVJC-LOWVWBTDSA-N 2 0 225.380 1.105 20 0 BDADRP CC(C)N([C@@H]1CC[C@@H](C)[NH2+]C1)C(C)(C)C[NH3+] ZINC001246501742 987855962 /nfs/dbraw/zinc/85/59/62/987855962.db2.gz CQJIZIOKLWSHPI-VXGBXAGGSA-N 2 0 227.396 1.575 20 0 BDADRP CC[C@@H]1C[C@H](N[C@H](C[NH3+])CC(C)C)CC[NH2+]1 ZINC001246503935 987856768 /nfs/dbraw/zinc/85/67/68/987856768.db2.gz NXROMTZRKAKLNQ-UPJWGTAASA-N 2 0 227.396 1.480 20 0 BDADRP C[C@H]1CC[C@H]([NH2+]C2(C3CC[NH2+]CC3)CC2)CN1 ZINC001246501705 987856978 /nfs/dbraw/zinc/85/69/78/987856978.db2.gz CCYAZBQQDHXSKY-AAEUAGOBSA-N 2 0 237.391 1.249 20 0 BDADRP CC(C)C[C@@H](C[NH3+])N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246501686 987857162 /nfs/dbraw/zinc/85/71/62/987857162.db2.gz BQMYMMXNOAOHES-SRVKXCTJSA-N 2 0 213.369 1.090 20 0 BDADRP CC(C)C[C@@H](C[NH3+])N[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246502475 987857414 /nfs/dbraw/zinc/85/74/14/987857414.db2.gz FGBZHICZEHYFNP-RNJOBUHISA-N 2 0 227.396 1.478 20 0 BDADRP C[C@H]1C[C@@H](N[C@H](C[NH3+])c2ccccc2)CC[NH2+]1 ZINC001246507233 987858441 /nfs/dbraw/zinc/85/84/41/987858441.db2.gz LYVKZVNRXZWOJK-FPMFFAJLSA-N 2 0 233.359 1.417 20 0 BDADRP CCCC[C@H]1C[C@H](NC23CC([NH3+])(C2)C3)CC[NH2+]1 ZINC001246505280 987859309 /nfs/dbraw/zinc/85/93/09/987859309.db2.gz SGQBAQDLKLUGTN-MRFVTOPCSA-N 2 0 237.391 1.521 20 0 BDADRP CCCC(C[NH3+])(CCC)N[C@H](C)CC[NH2+]C ZINC001246507601 987862081 /nfs/dbraw/zinc/86/20/81/987862081.db2.gz YYLNEUFMRXDXKW-GFCCVEGCSA-N 2 0 229.412 1.872 20 0 BDADRP CO[C@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246512258 987862221 /nfs/dbraw/zinc/86/22/21/987862221.db2.gz DTXYIQQELQZLPQ-VEFJFZMTSA-N 2 0 238.375 1.817 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)[C@@H]1CCCO1 ZINC001246522574 987873055 /nfs/dbraw/zinc/87/30/55/987873055.db2.gz DEOYSYIDAHYXJM-RHYQMDGZSA-N 2 0 212.337 1.284 20 0 BDADRP CCCC[C@H]1C[C@H](N(C)CC[NH2+]C)CC[NH2+]1 ZINC001246524823 987876158 /nfs/dbraw/zinc/87/61/58/987876158.db2.gz SJEKMMYGWBKGTM-QWHCGFSZSA-N 2 0 227.396 1.448 20 0 BDADRP C[NH2+]C1CN([C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)C1 ZINC001246524386 987876658 /nfs/dbraw/zinc/87/66/58/987876658.db2.gz OYOYCDSBVWDJIH-NWDGAFQWSA-N 2 0 225.380 1.057 20 0 BDADRP CCOCC[C@H](C)[N@@H+]1CCC[NH2+]CC1 ZINC001246528988 987883773 /nfs/dbraw/zinc/88/37/73/987883773.db2.gz PUKNAHVGNQWTDT-NSHDSACASA-N 2 0 200.326 1.097 20 0 BDADRP CC[C@@H]1C[C@H](N2CC[NH2+]CC2)C[C@H](CC)[NH2+]1 ZINC001246531537 987885730 /nfs/dbraw/zinc/88/57/30/987885730.db2.gz UYJKRORNBUACND-ITGUQSILSA-N 2 0 225.380 1.201 20 0 BDADRP CC[C@H]1CC(N2CC[NH2+]CC2)C[C@H](CC)[NH2+]1 ZINC001246531538 987888125 /nfs/dbraw/zinc/88/81/25/987888125.db2.gz UYJKRORNBUACND-RYUDHWBXSA-N 2 0 225.380 1.201 20 0 BDADRP CCC[N@H+]([C@@H](C)CC)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246532410 987889811 /nfs/dbraw/zinc/88/98/11/987889811.db2.gz ZTQREOMDHCNION-QWHCGFSZSA-N 2 0 239.407 1.591 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(C[NH3+])CC1)C2 ZINC001246538990 987897242 /nfs/dbraw/zinc/89/72/42/987897242.db2.gz RGIMNJHITLQFCE-BTTYYORXSA-N 3 0 237.391 1.282 20 0 BDADRP C[C@H]1C[N@@H+]([C@H]2CCSC2)C[C@H]1C[NH3+] ZINC001246538069 987898217 /nfs/dbraw/zinc/89/82/17/987898217.db2.gz ALOYROOFEURBRE-AEJSXWLSSA-N 2 0 200.351 1.019 20 0 BDADRP C[C@H]1CN(C2C[C@@H](C)[NH2+][C@H](C)C2)C[C@H]1C[NH3+] ZINC001246539225 987904912 /nfs/dbraw/zinc/90/49/12/987904912.db2.gz FQNSNKLPQWAZKQ-IRCOFANPSA-N 2 0 225.380 1.042 20 0 BDADRP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H]([NH3+])CC2)C1 ZINC001246543072 987908362 /nfs/dbraw/zinc/90/83/62/987908362.db2.gz SHACYYPRQUSZIO-IJLUTSLNSA-N 2 0 240.347 1.141 20 0 BDADRP CO[C@H]1CCC[C@@H]([N@@H+]2CC[C@@H]([NH3+])[C@H]2C)C1 ZINC001246541333 987908760 /nfs/dbraw/zinc/90/87/60/987908760.db2.gz GPSUYIVVVBSXFX-WISYIIOYSA-N 2 0 212.337 1.366 20 0 BDADRP CCC[C@@H](CC)[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246541923 987910303 /nfs/dbraw/zinc/91/03/03/987910303.db2.gz HRABNCKTGFPSKG-CHWSQXEVSA-N 2 0 228.380 1.741 20 0 BDADRP [NH3+][C@H]1CCCN([C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246544973 987919381 /nfs/dbraw/zinc/91/93/81/987919381.db2.gz IOQGGHWYFDEPNE-WUHRBBMRSA-N 2 0 223.364 1.083 20 0 BDADRP CC1(C)C[C@H](N2CCC[C@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246549851 987936910 /nfs/dbraw/zinc/93/69/10/987936910.db2.gz IMNQMUKIKQEJOT-OCCSQVGLSA-N 2 0 239.407 1.720 20 0 BDADRP C[C@@H]1CCN([C@H]2CC[NH2+]C(C)(C)C2)C[C@H]1C[NH3+] ZINC001246550923 987942726 /nfs/dbraw/zinc/94/27/26/987942726.db2.gz KYAMTXCVUVNEKK-UPJWGTAASA-N 3 0 239.407 1.434 20 0 BDADRP [NH3+]C[C@H]1CN([C@@H]2CCC[NH2+]CC2)CCC1(F)F ZINC001246556869 987965362 /nfs/dbraw/zinc/96/53/62/987965362.db2.gz GRDPHCIAOMEYAQ-WDEREUQCSA-N 2 0 247.333 1.044 20 0 BDADRP C[C@@H]1C[C@H](N2CC[C@H](C)[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC001246555322 987967319 /nfs/dbraw/zinc/96/73/19/987967319.db2.gz XHFZIFVNYFAUKL-QNWHQSFQSA-N 2 0 225.380 1.044 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](C)[C@H](O)CC2)CC[NH2+]1 ZINC001246557671 987974836 /nfs/dbraw/zinc/97/48/36/987974836.db2.gz NVVWNFMKJMAQBY-FVCCEPFGSA-N 2 0 226.364 1.220 20 0 BDADRP C[C@@H]1CC([N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)C[C@@H](C)C1 ZINC001246559181 987986162 /nfs/dbraw/zinc/98/61/62/987986162.db2.gz NVHXUQKIIYOEFB-YRRQLQLVSA-N 2 0 226.364 1.205 20 0 BDADRP C[C@@H]1C[N@@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)C[C@H]1[NH3+] ZINC001246563134 988004045 /nfs/dbraw/zinc/00/40/45/988004045.db2.gz OTQMTZXCGWHQBH-JHJVBQTASA-N 3 0 237.391 1.188 20 0 BDADRP C[C@@H]1[C@@H](C[NH3+])CCCN1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246563659 988005730 /nfs/dbraw/zinc/00/57/30/988005730.db2.gz LGOUDTCPOPQCIO-LSGALXMHSA-N 2 0 237.391 1.329 20 0 BDADRP C[C@@H]1C[N@@H+](C2C[C@@H]3C=C[C@H](C2)[NH2+]3)CCC[C@H]1C[NH3+] ZINC001246562447 988008192 /nfs/dbraw/zinc/00/81/92/988008192.db2.gz MWQYSBXKPAQZQO-NLXYCFSDSA-N 3 0 249.402 1.352 20 0 BDADRP C[C@H]1CC[N@@H+](C2CCN(C)CC2)CC[C@@H]1C[NH3+] ZINC001246562715 988009332 /nfs/dbraw/zinc/00/93/32/988009332.db2.gz WESDKQWPPKKEHV-QWHCGFSZSA-N 2 0 239.407 1.387 20 0 BDADRP C[NH2+]C1CCC([N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)CC1 ZINC001246564408 988014854 /nfs/dbraw/zinc/01/48/54/988014854.db2.gz NQFMRBMTKZWOAR-FEPKRQSRSA-N 3 0 239.407 1.576 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)CC[NH2+]1 ZINC001246563940 988018089 /nfs/dbraw/zinc/01/80/89/988018089.db2.gz YHIVVAFXSXOVBQ-SYQHCUMBSA-N 3 0 239.407 1.434 20 0 BDADRP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC001118121857 988018267 /nfs/dbraw/zinc/01/82/67/988018267.db2.gz KATXZRQBSKYZEP-RYUDHWBXSA-N 3 0 227.396 1.304 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)CC[NH2+]1 ZINC001246564975 988019637 /nfs/dbraw/zinc/01/96/37/988019637.db2.gz ZDMFORNRHUWJSW-MQYQWHSLSA-N 3 0 239.407 1.434 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC001118118929 988020602 /nfs/dbraw/zinc/02/06/02/988020602.db2.gz KREFREBCMUMDHC-AGIUHOORSA-N 2 0 228.380 1.778 20 0 BDADRP C[C@@H]1C[N@@H+]([C@@H]2CCCOCC2)CCC[C@@H]1C[NH3+] ZINC001246564888 988020734 /nfs/dbraw/zinc/02/07/34/988020734.db2.gz GQQAROKMJXOFHR-MGPQQGTHSA-N 2 0 240.391 1.862 20 0 BDADRP C[NH2+][C@@H](C)CC[NH2+]C1CCC2(CC1)OCCO2 ZINC001118121894 988028256 /nfs/dbraw/zinc/02/82/56/988028256.db2.gz KOMIXGISTROWMP-NSHDSACASA-N 2 0 242.363 1.260 20 0 BDADRP C[C@@H]1CC[C@H](N2CCC[C@@H](C[NH3+])[C@H]2C)C[NH2+]1 ZINC001246568092 988030023 /nfs/dbraw/zinc/03/00/23/988030023.db2.gz YLCVAJGRTMEGPT-NDBYEHHHSA-N 2 0 225.380 1.186 20 0 BDADRP C1[NH2+]CC12C[C@H]([NH+]1C[C@H]3CCCC[C@@H]3C1)CCN2 ZINC001246571018 988052421 /nfs/dbraw/zinc/05/24/21/988052421.db2.gz JRXIIDJVGGWVAL-MGPQQGTHSA-N 2 0 249.402 1.202 20 0 BDADRP [NH3+]C[C@@]1(F)CCCCN([C@@H]2CCCOC2)C1 ZINC001246575775 988078574 /nfs/dbraw/zinc/07/85/74/988078574.db2.gz IYUXOHDWOVFCJT-NEPJUHHUSA-N 2 0 230.327 1.318 20 0 BDADRP CCN1CC[C@@H]([N@@H+]2CCC[C@](C)(C[NH3+])CC2)C1 ZINC001246576495 988079324 /nfs/dbraw/zinc/07/93/24/988079324.db2.gz KLJWXMRZYGHWPW-KGLIPLIRSA-N 2 0 239.407 1.532 20 0 BDADRP C[C@@H]1CC[C@@H](N2CCC[C@@](C)(C[NH3+])CC2)C[NH2+]1 ZINC001246574844 988082562 /nfs/dbraw/zinc/08/25/62/988082562.db2.gz JGCOLMDAIYQUQJ-MGPQQGTHSA-N 2 0 239.407 1.578 20 0 BDADRP CC(C)CC[C@@H](C)[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246578059 988088433 /nfs/dbraw/zinc/08/84/33/988088433.db2.gz FKQJAIQZGRHFLS-WOPDTQHZSA-N 2 0 214.353 1.063 20 0 BDADRP COC(=O)CC[C@H](C)[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246581972 988107797 /nfs/dbraw/zinc/10/77/97/988107797.db2.gz LTLJAXORMFMKDI-NWDGAFQWSA-N 2 0 242.363 1.389 20 0 BDADRP CC1(C)C[C@H](N2CC[C@H]([NH3+])[C@@H](F)CC2)CC[NH2+]1 ZINC001246580717 988110808 /nfs/dbraw/zinc/11/08/08/988110808.db2.gz DTNIGCNYKJXUIW-WOPDTQHZSA-N 2 0 243.370 1.278 20 0 BDADRP CC[C@@H](C)C[C@H](CC)[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246582771 988121531 /nfs/dbraw/zinc/12/15/31/988121531.db2.gz HMMUSGYRGBYLFM-VOAKCMCISA-N 2 0 228.380 1.453 20 0 BDADRP CC(C)[C@H]1C[C@@H](N2[C@H](C)C[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC001246585617 988134564 /nfs/dbraw/zinc/13/45/64/988134564.db2.gz HGMDBBVNCINAQT-RFQIPJPRSA-N 2 0 239.407 1.445 20 0 BDADRP [NH3+]C[C@H]1CCCCN(C2C[C@@H]3C=C[C@H](C2)[NH2+]3)C1 ZINC001246584831 988137370 /nfs/dbraw/zinc/13/73/70/988137370.db2.gz VCUODXSLCNZMKR-HABKJSAYSA-N 2 0 235.375 1.106 20 0 BDADRP CC(C)(C)[C@@H]1C[C@H](N2CC(C)(C[NH3+])C2)CC[NH2+]1 ZINC001246588081 988142443 /nfs/dbraw/zinc/14/24/43/988142443.db2.gz IYFJLRDKCAENFE-NEPJUHHUSA-N 2 0 239.407 1.434 20 0 BDADRP CC(C)CCC[C@H](C)[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246586209 988143334 /nfs/dbraw/zinc/14/33/34/988143334.db2.gz ROHJQCLRVVRJRT-AVGNSLFASA-N 2 0 228.380 1.453 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CC(C)(C)C[C@@]2(C)CO)CC[NH2+]1 ZINC001246588098 988154093 /nfs/dbraw/zinc/15/40/93/988154093.db2.gz JHEFWSRSBLQCKY-DYEKYZERSA-N 2 0 240.391 1.610 20 0 BDADRP CC(C)N([C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]CC1 ZINC001246590761 988163298 /nfs/dbraw/zinc/16/32/98/988163298.db2.gz HZWWUXTXMFWLPI-ZIAGYGMSSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@](C)(O)[C@H](C)C2)CC[NH2+]1 ZINC001246590331 988166557 /nfs/dbraw/zinc/16/65/57/988166557.db2.gz SKCKKNFFUBYMSJ-FVCCEPFGSA-N 2 0 226.364 1.220 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CC(C)(C[NH3+])C1 ZINC001246592506 988178510 /nfs/dbraw/zinc/17/85/10/988178510.db2.gz CKAZQHKFSMQJCL-ZDUSSCGKSA-N 3 0 241.423 1.778 20 0 BDADRP [NH3+]C[C@H]1CCCC[N@@H+]([C@H]2CCC[NH2+]CC2)C1 ZINC001246594383 988188007 /nfs/dbraw/zinc/18/80/07/988188007.db2.gz QIULNFJFAMKGCA-OLZOCXBDSA-N 3 0 225.380 1.189 20 0 BDADRP CCC(CC)[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246599862 988202898 /nfs/dbraw/zinc/20/28/98/988202898.db2.gz FAJAJCPZRKLTDK-UHFFFAOYSA-N 2 0 225.380 1.202 20 0 BDADRP C1CCC([N@@H+]2CCNC3(CC[NH2+]CC3)C2)CC1 ZINC001246600189 988210669 /nfs/dbraw/zinc/21/06/69/988210669.db2.gz FRYPNEOJYSSASZ-UHFFFAOYSA-N 2 0 237.391 1.347 20 0 BDADRP C[C@@H]1C[C@@H](N2CC[C@@]3(C2)CCC[NH2+]C3)CC[NH2+]1 ZINC001246599126 988211375 /nfs/dbraw/zinc/21/13/75/988211375.db2.gz ARHCVOFCHZEXPS-RDBSUJKOSA-N 2 0 237.391 1.202 20 0 BDADRP C[NH2+]CC[C@@H](C)N1CCC[C@@]12CCC[NH2+]C2 ZINC001246605771 988214389 /nfs/dbraw/zinc/21/43/89/988214389.db2.gz CXPXUCLHLLSLGM-CHWSQXEVSA-N 2 0 225.380 1.202 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N2CC(C)(C[NH3+])C2)CC[NH2+]1 ZINC001246603575 988215691 /nfs/dbraw/zinc/21/56/91/988215691.db2.gz ZZHHUJOAYNZZJI-RYUDHWBXSA-N 2 0 225.380 1.044 20 0 BDADRP C1C[N@H+]([C@H]2CCCOCC2)[C@]2(C1)CCC[NH2+]C2 ZINC001246606319 988228302 /nfs/dbraw/zinc/22/83/02/988228302.db2.gz DSKHWVQDVGCRCY-KBPBESRZSA-N 2 0 238.375 1.774 20 0 BDADRP C1C[N@H+]([C@@H]2CCCOCC2)[C@]2(C1)CCC[NH2+]C2 ZINC001246606321 988229000 /nfs/dbraw/zinc/22/90/00/988229000.db2.gz DSKHWVQDVGCRCY-KGLIPLIRSA-N 2 0 238.375 1.774 20 0 BDADRP CCCC[C@@H]1C[C@@H](N2CC3(C[NH2+]C3)C2)CC[NH2+]1 ZINC001246611915 988240991 /nfs/dbraw/zinc/24/09/91/988240991.db2.gz FELLROQAKMIPBT-OLZOCXBDSA-N 2 0 237.391 1.202 20 0 BDADRP C[NH2+]CC[C@H](C)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001246624751 988248894 /nfs/dbraw/zinc/24/88/94/988248894.db2.gz RUTIGDQFFCJWGX-QWHCGFSZSA-N 2 0 225.380 1.202 20 0 BDADRP CCC[C@@H](CC)[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246616854 988259323 /nfs/dbraw/zinc/25/93/23/988259323.db2.gz FSJCPSNNOHTYEJ-RDBSUJKOSA-N 2 0 239.407 1.591 20 0 BDADRP CCC(CC)[NH+]1CCC(F)(C[NH3+])CC1 ZINC001246622901 988275533 /nfs/dbraw/zinc/27/55/33/988275533.db2.gz ACBRQHSBJZTUGU-UHFFFAOYSA-N 2 0 202.317 1.938 20 0 BDADRP C1CC2(CCCC2)[N@@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246623974 988286332 /nfs/dbraw/zinc/28/63/32/988286332.db2.gz NFAIJZLOBLRIJZ-GFCCVEGCSA-N 2 0 235.375 1.099 20 0 BDADRP C1C[C@@H]2[C@H](CC[N@@H+]2[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)[NH2+]1 ZINC001246627902 988294714 /nfs/dbraw/zinc/29/47/14/988294714.db2.gz AWRPRQATZMDUOJ-BARDWOONSA-N 3 0 249.402 1.345 20 0 BDADRP CC1(C)C[C@@H]([NH+]2CCC(F)(C[NH3+])CC2)CCO1 ZINC001246631374 988301184 /nfs/dbraw/zinc/30/11/84/988301184.db2.gz WZGIUNGYGXRSML-NSHDSACASA-N 2 0 244.354 1.707 20 0 BDADRP C[C@H]1CC[C@H]([NH+]2CCC(F)(C[NH3+])CC2)C1 ZINC001246631300 988303656 /nfs/dbraw/zinc/30/36/56/988303656.db2.gz WBDWVOUXRYBMHG-QWRGUYRKSA-N 2 0 214.328 1.938 20 0 BDADRP c1ccc2c(c1)CC([N@H+]1CC[C@@H]3[NH2+]CC[C@H]31)C2 ZINC001246633132 988314982 /nfs/dbraw/zinc/31/49/82/988314982.db2.gz JVKPSNLKFJTPKS-LSDHHAIUSA-N 2 0 228.339 1.590 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N2CC[C@@H]3[NH2+]CC[C@H]32)CC[NH2+]1 ZINC001246634777 988318527 /nfs/dbraw/zinc/31/85/27/988318527.db2.gz PHMJBBOBIRHQNS-XDQVBPFNSA-N 2 0 237.391 1.199 20 0 BDADRP C[NH2+]CC[C@H](C)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246633489 988321207 /nfs/dbraw/zinc/32/12/07/988321207.db2.gz YKNCAIOKINEVKG-STQMWFEESA-N 3 0 225.380 1.060 20 0 BDADRP FC1(F)C[C@H]2C[N@H+]([C@H]3CCC[NH2+]C3)C[C@H]2C1 ZINC001246640452 988341766 /nfs/dbraw/zinc/34/17/66/988341766.db2.gz UIEUUAJWSQIPAZ-AXFHLTTASA-N 2 0 230.302 1.716 20 0 BDADRP CO[C@H]1CCC[C@H]([N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC001246641528 988347359 /nfs/dbraw/zinc/34/73/59/988347359.db2.gz JAMYRKQKNUTUBY-ZDEQEGDKSA-N 2 0 224.348 1.380 20 0 BDADRP CCCC[C@@H](C)[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246645075 988353449 /nfs/dbraw/zinc/35/34/49/988353449.db2.gz SUDBVWPDLYQOBX-OLZOCXBDSA-N 2 0 225.380 1.202 20 0 BDADRP C[C@@H]1C[C@@H](N2CCCC[C@]23CC[NH2+]C3)CC[NH2+]1 ZINC001246644035 988357926 /nfs/dbraw/zinc/35/79/26/988357926.db2.gz PCFUZZUZESBNBB-HZSPNIEDSA-N 2 0 237.391 1.345 20 0 BDADRP C[C@@H]1CCC[C@H]([N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246644241 988359495 /nfs/dbraw/zinc/35/94/95/988359495.db2.gz RHLWSDRQMQGRMN-HZSPNIEDSA-N 2 0 237.391 1.202 20 0 BDADRP C1C[C@@]2(C[NH2+]1)CCCC[N@@H+]2[C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246645658 988363477 /nfs/dbraw/zinc/36/34/77/988363477.db2.gz CWZURFDCLXYQHN-CBBWQLFWSA-N 3 0 249.402 1.202 20 0 BDADRP C1C[C@]2(C[NH2+]1)CCC[C@@H]([N@@H+]1CC[C@H]3C[NH2+]C[C@H]31)C2 ZINC001246647387 988365829 /nfs/dbraw/zinc/36/58/29/988365829.db2.gz SQIVFLPLKSHTEL-GBJTYRQASA-N 3 0 249.402 1.202 20 0 BDADRP C1C[C@@H](N2CCC([C@H]3CCCC[NH2+]3)CC2)C[NH2+]1 ZINC001246655048 988376305 /nfs/dbraw/zinc/37/63/05/988376305.db2.gz JCLAWVJTUGHLGW-ZIAGYGMSSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3CCCO[C@@H]3C2)CC[NH2+]1 ZINC001246661751 988399662 /nfs/dbraw/zinc/39/96/62/988399662.db2.gz HWWDQJPFDIZDQZ-YIYPIFLZSA-N 2 0 238.375 1.628 20 0 BDADRP CC[C@@H]1CC(N2CC[NH2+][C@@H]3C[C@@H]32)C[C@@H](CC)[NH2+]1 ZINC001246666597 988410165 /nfs/dbraw/zinc/41/01/65/988410165.db2.gz WKXBQFZZCGOEKY-OXHZDVMGSA-N 2 0 237.391 1.342 20 0 BDADRP CC[C@H]1CC([N@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246667179 988410843 /nfs/dbraw/zinc/41/08/43/988410843.db2.gz YBSKBUWEFQOCLM-KYYPQDQFSA-N 3 0 237.391 1.185 20 0 BDADRP CN([C@@H]1CCC[NH2+]C1)[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246677358 988421597 /nfs/dbraw/zinc/42/15/97/988421597.db2.gz HUZXQBNVSXAFIP-VXGBXAGGSA-N 2 0 225.380 1.201 20 0 BDADRP CC[C@@H]1C[C@H](N2CC[NH2+][C@H](C(C)C)C2)CC[NH2+]1 ZINC001246684571 988428698 /nfs/dbraw/zinc/42/86/98/988428698.db2.gz HLTPCHMYYYGNBI-MCIONIFRSA-N 2 0 239.407 1.447 20 0 BDADRP CC(C)[C@@H]1CN([C@H]2CC[C@@H](C)[NH2+]C2)CC[NH2+]1 ZINC001246686406 988428779 /nfs/dbraw/zinc/42/87/79/988428779.db2.gz MRNPJPALRPHUCB-AGIUHOORSA-N 2 0 225.380 1.057 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N1C[C@H](C)[NH2+]C[C@H]1C ZINC001246688818 988437973 /nfs/dbraw/zinc/43/79/73/988437973.db2.gz HRGQVEVEXZXMGP-MELADBBJSA-N 2 0 241.423 1.789 20 0 BDADRP CC(C)[C@@H]1C[NH2+]CCN1C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246696890 988440636 /nfs/dbraw/zinc/44/06/36/988440636.db2.gz RAOMZORNNYESOW-BZPMIXESSA-N 2 0 239.407 1.445 20 0 BDADRP CC(C)[C@@H]1C[NH2+]CCN1[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246695007 988441618 /nfs/dbraw/zinc/44/16/18/988441618.db2.gz KDLLJWZESYLJSV-OLZOCXBDSA-N 2 0 239.407 1.447 20 0 BDADRP CC[C@@H]1C[C@H](N2CC[NH2+]C[C@H]2C(C)C)CC[NH2+]1 ZINC001246695017 988442761 /nfs/dbraw/zinc/44/27/61/988442761.db2.gz KHBIBRUUQHAFCB-MCIONIFRSA-N 2 0 239.407 1.447 20 0 BDADRP C[NH2+]Cc1ccc(N[C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC001246775555 988454070 /nfs/dbraw/zinc/45/40/70/988454070.db2.gz GMQSJSSEGOIZHK-FZMZJTMJSA-N 2 0 233.359 1.958 20 0 BDADRP F[C@@H]1C[C@@H]2C[C@H]1C[N@@H+]2C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246771204 988456021 /nfs/dbraw/zinc/45/60/21/988456021.db2.gz WKJHOBFUIGINRQ-YCPHOFJISA-N 2 0 224.323 1.702 20 0 BDADRP CCCC[NH+]1CCN([C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246787479 988467308 /nfs/dbraw/zinc/46/73/08/988467308.db2.gz DSHVDRREUZQUDE-KGLIPLIRSA-N 2 0 239.407 1.545 20 0 BDADRP CCCOC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001246792300 988469533 /nfs/dbraw/zinc/46/95/33/988469533.db2.gz UNHJTLXQJBADFH-UHFFFAOYSA-N 2 0 226.364 1.629 20 0 BDADRP C[C@@H]1C[C@@H]([N@H+](C)CCC2CC[NH2+]CC2)CC[NH2+]1 ZINC001246793777 988475263 /nfs/dbraw/zinc/47/52/63/988475263.db2.gz DMPHEEIGHIPEKT-OCCSQVGLSA-N 3 0 239.407 1.448 20 0 BDADRP c1ccc([C@H]2CC[N@@H+](C3CC[NH2+]CC3)C2)nc1 ZINC001246799333 988481717 /nfs/dbraw/zinc/48/17/17/988481717.db2.gz YLHLHSCCAMQIMB-LBPRGKRZSA-N 2 0 231.343 1.623 20 0 BDADRP C[C@H]1CC(N2CC[NH2+]C(C)(C)C2)C[C@H](C)[NH2+]1 ZINC001246815445 988500959 /nfs/dbraw/zinc/50/09/59/988500959.db2.gz CORUGOBEYCZPNJ-QWRGUYRKSA-N 2 0 225.380 1.199 20 0 BDADRP C[C@@H]1C[C@@H](N2CC[NH2+]C(C)(C)C2)C[C@H](C)[NH2+]1 ZINC001246815446 988502286 /nfs/dbraw/zinc/50/22/86/988502286.db2.gz CORUGOBEYCZPNJ-ZSBIGDGJSA-N 2 0 225.380 1.199 20 0 BDADRP CC[C@@H]1C[C@H](N(C)C2C[NH2+]C2)C[C@H](CC)[NH2+]1 ZINC001246831918 988525974 /nfs/dbraw/zinc/52/59/74/988525974.db2.gz GQABFCKOUFVVJR-GDNZZTSVSA-N 2 0 225.380 1.199 20 0 BDADRP C[C@@H]1C[C@H](N2CCC[C@H]3C[N@H+](C)C[C@@H]32)CC[NH2+]1 ZINC001246832610 988526010 /nfs/dbraw/zinc/52/60/10/988526010.db2.gz MUHWBAZTHHPLPH-RQJABVFESA-N 2 0 237.391 1.153 20 0 BDADRP C[C@@H]1C[C@H](N2CCC[C@@H]3C[N@H+](C)C[C@@H]32)CC[NH2+]1 ZINC001246832614 988527266 /nfs/dbraw/zinc/52/72/66/988527266.db2.gz MUHWBAZTHHPLPH-SYQHCUMBSA-N 2 0 237.391 1.153 20 0 BDADRP CC[C@H](CC(C)C)N(CC[NH3+])CC[NH3+] ZINC001246835343 988531144 /nfs/dbraw/zinc/53/11/44/988531144.db2.gz WWUHHPDYDGYBTD-LLVKDONJSA-N 2 0 201.358 1.031 20 0 BDADRP [NH3+]CCN(CC[NH3+])C1CCC2(CCCC2)CC1 ZINC001246835987 988534399 /nfs/dbraw/zinc/53/43/99/988534399.db2.gz XTOZGGHIVDAAKF-UHFFFAOYSA-N 2 0 239.407 1.709 20 0 BDADRP C[NH2+]Cc1cccc(N[C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC001246854439 988569708 /nfs/dbraw/zinc/56/97/08/988569708.db2.gz UDCVEQJFQHIIHE-FZMZJTMJSA-N 2 0 233.359 1.958 20 0 BDADRP CCN([C@H]1CCC[NH2+]C1)[C@H]1CCCC[NH2+]C1 ZINC001246853147 988572172 /nfs/dbraw/zinc/57/21/72/988572172.db2.gz HCOQQRWVKGYBMW-STQMWFEESA-N 2 0 225.380 1.202 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CC[C@@]3(C2)CCCOC3)CC[NH2+]1 ZINC001246855070 988580076 /nfs/dbraw/zinc/58/00/76/988580076.db2.gz SGLCLDWCIZICLW-MGPQQGTHSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)CC[NH2+]1 ZINC001246858367 988593245 /nfs/dbraw/zinc/59/32/45/988593245.db2.gz GASNYFMBGSQHJV-LVEVGFFFSA-N 2 0 212.312 1.559 20 0 BDADRP CSCC[C@H](C)[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246859553 988594413 /nfs/dbraw/zinc/59/44/13/988594413.db2.gz LGNIHJSBJVXEDK-WSMDXJOWSA-N 2 0 244.404 1.034 20 0 BDADRP CC[C@@H](CC(C)C)[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246860891 988598108 /nfs/dbraw/zinc/59/81/08/988598108.db2.gz ONUVRYSAPVTFEL-WJLOJVBCSA-N 2 0 240.391 1.717 20 0 BDADRP CC[C@H]1CC[C@H]([N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])C1 ZINC001246861094 988601810 /nfs/dbraw/zinc/60/18/10/988601810.db2.gz QKNUFLZNAUPLJE-VJBQPNPTSA-N 2 0 238.375 1.471 20 0 BDADRP [NH3+][C@]12CC[C@H]1C[N@@H+]([C@H]1CCCSC1)C2 ZINC001246864909 988609074 /nfs/dbraw/zinc/60/90/74/988609074.db2.gz WOIYKLRALPKYQK-DCAQKATOSA-N 2 0 212.362 1.305 20 0 BDADRP [NH3+][C@]12CC[C@@H]1C[N@@H+]([C@@H]1CCCSC1)C2 ZINC001246864910 988609830 /nfs/dbraw/zinc/60/98/30/988609830.db2.gz WOIYKLRALPKYQK-MXWKQRLJSA-N 2 0 212.362 1.305 20 0 BDADRP [NH3+][C@@]12CC[C@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC001246864162 988615758 /nfs/dbraw/zinc/61/57/58/988615758.db2.gz UOZZDIHPYSOAHC-DZGCQCFKSA-N 2 0 228.339 1.577 20 0 BDADRP CC[C@@H]1C[C@@H](N2C[C@@H](C)[C@@H]([NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246879537 988645790 /nfs/dbraw/zinc/64/57/90/988645790.db2.gz FJCUGNWCTZHELD-RGDJUOJXSA-N 2 0 239.407 1.575 20 0 BDADRP CN(C[C@@H]1CCC[NH2+]1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001246888931 988652754 /nfs/dbraw/zinc/65/27/54/988652754.db2.gz MXJPETGMQRJCSE-FQUUOJAGSA-N 2 0 237.391 1.295 20 0 BDADRP CC(C)[C@H]1C[C@H](N(C)C[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC001246888190 988654638 /nfs/dbraw/zinc/65/46/38/988654638.db2.gz GZZKFTNXFKBVJQ-BFHYXJOUSA-N 2 0 239.407 1.447 20 0 BDADRP C[C@H]1CC(N(C)C[C@@H]2CCC[NH2+]2)C[C@H](C)[NH2+]1 ZINC001246888886 988656872 /nfs/dbraw/zinc/65/68/72/988656872.db2.gz LIOMDYHYNCFSNY-SRVKXCTJSA-N 2 0 225.380 1.199 20 0 BDADRP CC[C@H]1CC(N(CC)CC[NH2+]C)C[C@H](CC)[NH2+]1 ZINC001246889545 988658551 /nfs/dbraw/zinc/65/85/51/988658551.db2.gz FFKKLSSQLVQVNM-STQMWFEESA-N 2 0 241.423 1.837 20 0 BDADRP CCCC[C@H]1C[C@H]([N@H+](C)CCCC[NH3+])CC[NH2+]1 ZINC001246890656 988661172 /nfs/dbraw/zinc/66/11/72/988661172.db2.gz KOJBIFPXMJDURB-UONOGXRCSA-N 3 0 241.423 1.968 20 0 BDADRP C[NH2+][C@@H]1CCN1[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246895854 988671260 /nfs/dbraw/zinc/67/12/60/988671260.db2.gz FXIBHASZYQUISD-KKUMJFAQSA-N 2 0 245.370 1.731 20 0 BDADRP CCC1([NH3+])CN([C@@H]2CC[NH2+][C@H](C(C)C)C2)C1 ZINC001246895490 988671752 /nfs/dbraw/zinc/67/17/52/988671752.db2.gz UEVSLRJSCUVFOJ-NEPJUHHUSA-N 2 0 225.380 1.186 20 0 BDADRP CCC1([NH3+])CN([C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)C1 ZINC001246902594 988675841 /nfs/dbraw/zinc/67/58/41/988675841.db2.gz UCPIMDDWXKVAHK-NEPJUHHUSA-N 2 0 239.407 1.576 20 0 BDADRP [NH3+]C[C@H]1CCCN1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246906916 988679054 /nfs/dbraw/zinc/67/90/54/988679054.db2.gz CFNYYULJNOTQJU-YVECIDJPSA-N 2 0 223.364 1.083 20 0 BDADRP CCCC[C@@H]1CN([C@@H]2C[NH2+][C@H](C)C2)CC[NH2+]1 ZINC001246912112 988695943 /nfs/dbraw/zinc/69/59/43/988695943.db2.gz BYDXZZFHYABUFO-UPJWGTAASA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H]1C[C@H](N(C)C2(C)CC[NH2+]CC2)CC[NH2+]1 ZINC001246914031 988698957 /nfs/dbraw/zinc/69/89/57/988698957.db2.gz YDHWIIBBZNUJMB-VXGBXAGGSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@H]1C[C@H]([N@H+](C)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246914133 988708366 /nfs/dbraw/zinc/70/83/66/988708366.db2.gz ZGIIDMFQWOQJOS-ZDEQEGDKSA-N 3 0 225.380 1.329 20 0 BDADRP CCC[C@@H]1C[NH2+]CCN1[C@@H]1CCCC[NH2+]C1 ZINC001246916911 988712654 /nfs/dbraw/zinc/71/26/54/988712654.db2.gz FACUWKGOPDDKTK-CHWSQXEVSA-N 2 0 225.380 1.202 20 0 BDADRP CC[N@H+](CCC(=O)OC)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246918546 988717368 /nfs/dbraw/zinc/71/73/68/988717368.db2.gz FGPQZOLLUVRGHH-GHMZBOCLSA-N 2 0 228.336 1.012 20 0 BDADRP CC(C)(C)[NH+]1CCC(N2C[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001246918513 988720806 /nfs/dbraw/zinc/72/08/06/988720806.db2.gz KPXFEJBGFLMDFT-DGCLKSJQSA-N 2 0 237.391 1.153 20 0 BDADRP C[C@@H]1CC(N(C)[C@H]2CCCC[C@H]2[NH3+])C[C@@H](C)[NH2+]1 ZINC001246922623 988738093 /nfs/dbraw/zinc/73/80/93/988738093.db2.gz VKGXZHAFRWVUTK-OXHZDVMGSA-N 2 0 239.407 1.717 20 0 BDADRP CCCN([C@@H](C)CC[NH2+]C)[C@H]1CC[NH2+]C1 ZINC001246929446 988745694 /nfs/dbraw/zinc/74/56/94/988745694.db2.gz OTVNQJXXJFXOER-RYUDHWBXSA-N 2 0 213.369 1.058 20 0 BDADRP CC(C)[N@H+](CCCCCO)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246925068 988752251 /nfs/dbraw/zinc/75/22/51/988752251.db2.gz KULQREPLQKLFCQ-ZIAGYGMSSA-N 2 0 242.407 2.000 20 0 BDADRP CCCC[C@@H]1CN([C@H]2CCC[NH2+]CC2)CC[NH2+]1 ZINC001246926954 988752360 /nfs/dbraw/zinc/75/23/60/988752360.db2.gz MSBJRNONAVPIQP-KGLIPLIRSA-N 2 0 239.407 1.593 20 0 BDADRP CCCN([C@H]1CC[NH2+]C1)[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246943547 988774865 /nfs/dbraw/zinc/77/48/65/988774865.db2.gz UQJLWJCHWGGOCS-CRWXNKLISA-N 2 0 239.407 1.589 20 0 BDADRP CCCN([C@H]1CC[NH2+]C1)[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246943025 988776576 /nfs/dbraw/zinc/77/65/76/988776576.db2.gz SSPRMCPAFBGWMN-STQMWFEESA-N 2 0 239.407 1.591 20 0 BDADRP C[C@H]1CN([C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[C@H](C)[NH2+]1 ZINC001246943128 988776587 /nfs/dbraw/zinc/77/65/87/988776587.db2.gz KEWKSLCYQLQHMU-YHQUGGNUSA-N 2 0 237.391 1.342 20 0 BDADRP CCN1CC[C@H]([N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)C1 ZINC001246944277 988778295 /nfs/dbraw/zinc/77/82/95/988778295.db2.gz WNOHMGCSHRDNSK-MJBXVCDLSA-N 2 0 237.391 1.012 20 0 BDADRP C[C@@H]1C[C@@H](N2C[C@H](C)[NH2+][C@@H](C)C2)C[C@H](C)[NH2+]1 ZINC001246944174 988778347 /nfs/dbraw/zinc/77/83/47/988778347.db2.gz QWIGGUPVRBECKC-PPCPHDFISA-N 2 0 225.380 1.198 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@H](n3ccnn3)C2)CC[NH2+]1 ZINC001246944562 988779080 /nfs/dbraw/zinc/77/90/80/988779080.db2.gz HVQWBOREVSHHAH-UPJWGTAASA-N 2 0 249.362 1.056 20 0 BDADRP CC(C)CN([C@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC001246951911 988784440 /nfs/dbraw/zinc/78/44/40/988784440.db2.gz HJNUITCLXYAMAV-OLZOCXBDSA-N 2 0 225.380 1.058 20 0 BDADRP CC[C@H](N)C[N@H+](C)C1CCC([NH2+]C)CC1 ZINC001246973996 988788209 /nfs/dbraw/zinc/78/82/09/988788209.db2.gz NABNTYXQJNADLN-UNXYVOJBSA-N 2 0 213.369 1.186 20 0 BDADRP CC[C@H]([NH3+])CN(C)[C@@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246972220 988801409 /nfs/dbraw/zinc/80/14/09/988801409.db2.gz BIPSOJZJCDQUMS-XQQFMLRXSA-N 2 0 227.396 1.432 20 0 BDADRP CC[C@H]([NH3+])CN(C)C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246973479 988804801 /nfs/dbraw/zinc/80/48/01/988804801.db2.gz JOYYHDRQHFSPJT-MXWKQRLJSA-N 2 0 213.369 1.185 20 0 BDADRP CC[C@H]([NH3+])CN(C)C1CC[NH+](C2CC2)CC1 ZINC001246973948 988805224 /nfs/dbraw/zinc/80/52/24/988805224.db2.gz LRERLLADWPTRHH-NSHDSACASA-N 2 0 225.380 1.282 20 0 BDADRP C[C@H]([NH3+])CN(C)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001246982618 988815571 /nfs/dbraw/zinc/81/55/71/988815571.db2.gz YOWOQFUZOYFGHT-NSHDSACASA-N 2 0 241.423 1.917 20 0 BDADRP CC(C)[C@H]1C[C@H](N2C[C@H](C)C[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246982725 988815773 /nfs/dbraw/zinc/81/57/73/988815773.db2.gz JQPGXKYUZHJABB-AAVRWANBSA-N 2 0 239.407 1.432 20 0 BDADRP [NH3+]C[C@H]1CCC(F)(F)CN1[C@H]1CCCC[NH2+]C1 ZINC001246992088 988825982 /nfs/dbraw/zinc/82/59/82/988825982.db2.gz MKWAIRPIRVKYSV-MNOVXSKESA-N 2 0 247.333 1.187 20 0 BDADRP CO[C@@H]1CC[N@@H+]([C@H]2CC[NH2+][C@H](C)C2)[C@@H](C)C1 ZINC001246997258 988828659 /nfs/dbraw/zinc/82/86/59/988828659.db2.gz TVMHHUMKYQECOM-MROQNXINSA-N 2 0 226.364 1.626 20 0 BDADRP c1ccc([C@H]2C[C@H](N3CC[NH2+]C3)CC[NH2+]2)cc1 ZINC001246994388 988830000 /nfs/dbraw/zinc/83/00/00/988830000.db2.gz PRBQBNPQOYJRKC-ZIAGYGMSSA-N 2 0 231.343 1.342 20 0 BDADRP C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)C[NH2+]1 ZINC001247000603 988831043 /nfs/dbraw/zinc/83/10/43/988831043.db2.gz FISMBYUVWVUDRV-MROQNXINSA-N 2 0 236.359 1.428 20 0 BDADRP C[C@@H]1CC[C@H](N2CCC[C@@](C)(C[NH3+])C2)C[NH2+]1 ZINC001247001862 988831521 /nfs/dbraw/zinc/83/15/21/988831521.db2.gz MHMWCKZDADRMFS-AGIUHOORSA-N 2 0 225.380 1.188 20 0 BDADRP O=C1CCC[C@@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]12 ZINC001247006164 988838121 /nfs/dbraw/zinc/83/81/21/988838121.db2.gz TWAVRUQGQFBBSE-YIPFDTCYSA-N 2 0 248.370 1.570 20 0 BDADRP C1C[NH2+][C@@H]2CCN([C@H]3CCC[NH2+]CC3)C[C@H]2C1 ZINC001247015891 988843719 /nfs/dbraw/zinc/84/37/19/988843719.db2.gz QZICMZHWNMWIHI-HZSPNIEDSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@@H]1C[C@H](N2CC[C@@H]3[NH2+]CCC[C@@H]3C2)CCO1 ZINC001247017138 988845492 /nfs/dbraw/zinc/84/54/92/988845492.db2.gz ZVSNLINUDRTWSX-SYQHCUMBSA-N 2 0 238.375 1.628 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+]CC(C)(C)COC ZINC001325318311 989155154 /nfs/dbraw/zinc/15/51/54/989155154.db2.gz DMHVTRMLSOACFJ-SNVBAGLBSA-N 2 0 202.342 1.247 20 0 BDADRP C[NH2+][C@H](C)CCN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC001325756311 989252332 /nfs/dbraw/zinc/25/23/32/989252332.db2.gz UGWGWXRKWLPENZ-NFAWXSAZSA-N 2 0 249.402 1.533 20 0 BDADRP CO[C@@H]1CC[C@H]([NH2+][C@H]2CC[NH2+]C23CCCC3)C1 ZINC001119629828 989261709 /nfs/dbraw/zinc/26/17/09/989261709.db2.gz BBGSTUHYHOOGGH-XQQFMLRXSA-N 2 0 238.375 1.818 20 0 BDADRP Nc1c[nH+]cn1C1=CC[C@H]([NH+]2CCOCC2)CC1 ZINC001249555847 989308227 /nfs/dbraw/zinc/30/82/27/989308227.db2.gz AZEMBNWLPRHBLB-NSHDSACASA-N 2 0 248.330 1.191 20 0 BDADRP CC1(C)C[C@@H]([NH2+]CCc2cn[nH]c2)C[C@@H]([NH3+])C1 ZINC001119699792 989350164 /nfs/dbraw/zinc/35/01/64/989350164.db2.gz ZFQRXJOSEJWBOZ-NEPJUHHUSA-N 2 0 236.363 1.448 20 0 BDADRP Cn1ccc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)n1 ZINC001120243877 989614399 /nfs/dbraw/zinc/61/43/99/989614399.db2.gz GMPWNEZZRORKSN-UHFFFAOYSA-N 2 0 248.374 1.386 20 0 BDADRP C[NH2+][C@H](C)CCNC(=O)[C@H]([NH3+])c1ccccc1C ZINC001326781213 989702467 /nfs/dbraw/zinc/70/24/67/989702467.db2.gz QIXUNSUPBIOAGE-DGCLKSJQSA-N 2 0 249.358 1.109 20 0 BDADRP CC[NH+](CC)CCCC[NH2+]C[C@H](O)C1CC1 ZINC001120573223 989744552 /nfs/dbraw/zinc/74/45/52/989744552.db2.gz BETGAEUYDMHBKW-ZDUSSCGKSA-N 2 0 228.380 1.469 20 0 BDADRP CC[NH2+]CC(=O)N1C[C@@H](CC[NH3+])c2ccccc21 ZINC001522313167 989844900 /nfs/dbraw/zinc/84/49/00/989844900.db2.gz WMMBZAKAQMIMIZ-LLVKDONJSA-N 2 0 247.342 1.075 20 0 BDADRP CC1(C)CC[N@H+](CCNc2nccnc2C[NH3+])C1 ZINC001120966583 989991833 /nfs/dbraw/zinc/99/18/33/989991833.db2.gz YPXDGXMHGRHHRN-UHFFFAOYSA-N 2 0 249.362 1.079 20 0 BDADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC001121985968 990168389 /nfs/dbraw/zinc/16/83/89/990168389.db2.gz FEFOFXYIDJMSSF-AXFHLTTASA-N 2 0 243.395 1.240 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)NCC[N@H+](C)C(C)C ZINC001121996863 990172362 /nfs/dbraw/zinc/17/23/62/990172362.db2.gz MQBXPGHICYMRAR-LBPRGKRZSA-N 2 0 243.395 1.206 20 0 BDADRP CC(C)(C)[C@@H]([NH3+])CC(=O)NC(C)(C)CCC[NH3+] ZINC001122021819 990189823 /nfs/dbraw/zinc/18/98/23/990189823.db2.gz OJCZYZSJCVFUFC-JTQLQIEISA-N 2 0 243.395 1.384 20 0 BDADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N(CC[NH2+]C)C(C)C ZINC001122174271 990276888 /nfs/dbraw/zinc/27/68/88/990276888.db2.gz TZBNKHXTFIGBNF-RYUDHWBXSA-N 2 0 243.395 1.206 20 0 BDADRP C[C@@H](C[NH3+])C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC001122321282 990340406 /nfs/dbraw/zinc/34/04/06/990340406.db2.gz QLXRRTYKWXVXHD-VIFPVBQESA-N 2 0 235.331 1.414 20 0 BDADRP C[C@@H](Cc1ccco1)NC(=[NH2+])SCC[NH3+] ZINC001258180367 991080752 /nfs/dbraw/zinc/08/07/52/991080752.db2.gz MRLISNDFDUYNGI-QMMMGPOBSA-N 2 0 227.333 1.427 20 0 BDADRP COC(=O)CC[C@H](C)[NH2+][C@H]1CCN(C(C)C)C1 ZINC001258351864 991287493 /nfs/dbraw/zinc/28/74/93/991287493.db2.gz YMPQXYIFNCASJD-RYUDHWBXSA-N 2 0 242.363 1.400 20 0 BDADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCOCC1CC1 ZINC000226441168 991310028 /nfs/dbraw/zinc/31/00/28/991310028.db2.gz PBPKOWIYSBYKDG-AGUYFDCRSA-N 2 0 238.375 1.757 20 0 BDADRP C[C@@H](CCCC[NH3+])NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001340935040 991336481 /nfs/dbraw/zinc/33/64/81/991336481.db2.gz ACISSXWAQYNKQR-TUAOUCFPSA-N 2 0 241.379 1.138 20 0 BDADRP CCOC(=O)C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001328492703 991389424 /nfs/dbraw/zinc/38/94/24/991389424.db2.gz OJVHOUUCAZFYDO-UHFFFAOYSA-N 2 0 240.347 1.015 20 0 BDADRP [NH3+][C@H]1C[C@@H](c2nc([C@@H]3C[NH+]4CCC3CC4)no2)C1 ZINC001328413436 991389762 /nfs/dbraw/zinc/38/97/62/991389762.db2.gz REOIODJRTNVPFM-OUAUKWLOSA-N 2 0 248.330 1.084 20 0 BDADRP C[C@@H](CC1CC1)[NH2+]CCSCC[NH3+] ZINC001258454340 991406255 /nfs/dbraw/zinc/40/62/55/991406255.db2.gz JYQATDOYBUAFMN-VIFPVBQESA-N 2 0 202.367 1.457 20 0 BDADRP C[C@@H](CC1CC1)N(CC[NH+](C)C)CC[NH+](C)C ZINC001258463056 991418407 /nfs/dbraw/zinc/41/84/07/991418407.db2.gz LJZDXSIRXNXGLE-ZDUSSCGKSA-N 2 0 241.423 1.600 20 0 BDADRP CCC[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001560218307 991422086 /nfs/dbraw/zinc/42/20/86/991422086.db2.gz YOPGCMAUMKCALP-UHFFFAOYSA-N 2 0 240.391 1.709 20 0 BDADRP C[N@@H+](Cc1cccnn1)CC1CC[NH+](C)CC1 ZINC001139972772 991444550 /nfs/dbraw/zinc/44/45/50/991444550.db2.gz FSGWFFJNBVLPKC-UHFFFAOYSA-N 2 0 234.347 1.250 20 0 BDADRP CCC[N@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001317468288 991534786 /nfs/dbraw/zinc/53/47/86/991534786.db2.gz VGZUEQPNXUESJQ-GFCCVEGCSA-N 2 0 243.395 1.031 20 0 BDADRP C[C@H](Cc1cccnc1)[NH2+]CCCC[NH3+] ZINC001258613371 991537954 /nfs/dbraw/zinc/53/79/54/991537954.db2.gz OUAGCTFBQHNLQM-LLVKDONJSA-N 2 0 207.321 1.341 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H](CO)CCF)CC1 ZINC001560913903 991648945 /nfs/dbraw/zinc/64/89/45/991648945.db2.gz TYNLYPWRABTXQK-GFCCVEGCSA-N 2 0 232.343 1.028 20 0 BDADRP C[C@@H](Cc1cccc(Cl)c1)[NH2+]C[C@H](O)C[NH3+] ZINC001258739359 991690294 /nfs/dbraw/zinc/69/02/94/991690294.db2.gz XLJLRNSEXHGIAZ-JOYOIKCWSA-N 2 0 242.750 1.180 20 0 BDADRP CCCC[C@H](CCC)[NH2+]C[C@H](C[NH3+])C(=O)OC ZINC001258755060 991692209 /nfs/dbraw/zinc/69/22/09/991692209.db2.gz CMSVUVBSDIBFED-RYUDHWBXSA-N 2 0 244.379 1.683 20 0 BDADRP CC1CC([NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)C1 ZINC001561052893 991705789 /nfs/dbraw/zinc/70/57/89/991705789.db2.gz OCHPPFKFGFCHAP-NPBHJFFNSA-N 2 0 208.349 1.715 20 0 BDADRP CCC[NH+]1CCC(n2ccc([C@H](C)[NH3+])n2)CC1 ZINC001258766865 991727215 /nfs/dbraw/zinc/72/72/15/991727215.db2.gz GXVXLLKCOMHWFT-NSHDSACASA-N 2 0 236.363 1.950 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H]2C[C@@H](F)C2)CC1 ZINC001258766030 991728523 /nfs/dbraw/zinc/72/85/23/991728523.db2.gz JMCUCNHVXVCUOG-KLPPZKSPSA-N 2 0 214.328 1.951 20 0 BDADRP CCC[NH+]1CCC([N@@H+]2C[C@@H]3C[C@@H]3C2)CC1 ZINC001258772707 991740846 /nfs/dbraw/zinc/74/08/46/991740846.db2.gz XLOXJQLCWQTJGF-TXEJJXNPSA-N 2 0 208.349 1.813 20 0 BDADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](COC)C(C)C)C1 ZINC001319382455 991852841 /nfs/dbraw/zinc/85/28/41/991852841.db2.gz DSCOYOPBLROOKP-UONOGXRCSA-N 2 0 242.407 1.979 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1C[C@H](CO)C1 ZINC001258899157 991893691 /nfs/dbraw/zinc/89/36/91/991893691.db2.gz GPVYJYCLFFTODV-MGPQQGTHSA-N 2 0 242.407 1.857 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)N1CC([NH3+])C1 ZINC001258898886 991895508 /nfs/dbraw/zinc/89/55/08/991895508.db2.gz XAFMCKBHDCIXKQ-LLVKDONJSA-N 2 0 213.369 1.140 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1COC[C@@H]1F ZINC001258907215 991896337 /nfs/dbraw/zinc/89/63/37/991896337.db2.gz OQZHGXVFUHNROP-RWMBFGLXSA-N 2 0 246.370 1.823 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC001261424593 992292700 /nfs/dbraw/zinc/29/27/00/992292700.db2.gz YOYPVKCFINRBME-CHWFTXMASA-N 2 0 200.326 1.140 20 0 BDADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C[NH+](C)CC ZINC001569147135 992336498 /nfs/dbraw/zinc/33/64/98/992336498.db2.gz RHVQQYZONPSAKH-LBPRGKRZSA-N 2 0 243.395 1.175 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+]C2(CO)CCC2)CC1(C)C ZINC001261787337 992510072 /nfs/dbraw/zinc/51/00/72/992510072.db2.gz LNRSKOGOLPIFOD-LLVKDONJSA-N 2 0 226.364 1.364 20 0 BDADRP CC(C)C[NH2+][C@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001571403577 992551003 /nfs/dbraw/zinc/55/10/03/992551003.db2.gz UZSIDFVSDDCWKC-GFCCVEGCSA-N 2 0 243.395 1.031 20 0 BDADRP CC(C)([NH3+])CCNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC001262043072 992629415 /nfs/dbraw/zinc/62/94/15/992629415.db2.gz GVCMIHDCXBFEEL-LBPRGKRZSA-N 2 0 249.358 1.320 20 0 BDADRP CO[C@@](C)(C[NH2+]C1CC[NH2+]CC1)c1ccccc1 ZINC001573947701 992774001 /nfs/dbraw/zinc/77/40/01/992774001.db2.gz AZSOHGRTGYXSSD-HNNXBMFYSA-N 2 0 248.370 1.890 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1NCCC[NH+]1CCCC1 ZINC001262202550 992799187 /nfs/dbraw/zinc/79/91/87/992799187.db2.gz WXBNHTOBVNULGH-GFCCVEGCSA-N 2 0 225.380 1.202 20 0 BDADRP Cc1cc(NC(=O)[C@H](C)[NH3+])ccc1-n1ccnc1 ZINC001574141369 992810835 /nfs/dbraw/zinc/81/08/35/992810835.db2.gz LIQBJEJJLUDEMD-JTQLQIEISA-N 2 0 244.298 1.466 20 0 BDADRP Cc1cccc([C@H](O)C[NH+]2CCC(C[NH3+])CC2)c1 ZINC001574164814 992813970 /nfs/dbraw/zinc/81/39/70/992813970.db2.gz WFWNHSZKASVMQM-OAHLLOKOSA-N 2 0 248.370 1.699 20 0 BDADRP O[C@]1(C[N@@H+]2CCC[C@H](C3CC3)C2)CCC[NH2+]C1 ZINC001574440438 992856156 /nfs/dbraw/zinc/85/61/56/992856156.db2.gz DOXVIHBJNDIUCA-UONOGXRCSA-N 2 0 238.375 1.223 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H]2OC)C1 ZINC001262483774 992890907 /nfs/dbraw/zinc/89/09/07/992890907.db2.gz NDZFEMTXZNKJRJ-RDBSUJKOSA-N 2 0 240.391 1.875 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H]2OC)C1 ZINC001262483771 992891376 /nfs/dbraw/zinc/89/13/76/992891376.db2.gz NDZFEMTXZNKJRJ-HZSPNIEDSA-N 2 0 240.391 1.875 20 0 BDADRP C(CC1CC1)C[NH+]1CCC2(C[NH2+]C2)CC1 ZINC001574766084 992899290 /nfs/dbraw/zinc/89/92/90/992899290.db2.gz NDJDQKJRLIKONV-UHFFFAOYSA-N 2 0 208.349 1.862 20 0 BDADRP C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH2+][C@@H]1CCOC1 ZINC001574766767 992900213 /nfs/dbraw/zinc/90/02/13/992900213.db2.gz VTZUJTRYXZGTLH-PSEXLTFBSA-N 2 0 224.348 1.286 20 0 BDADRP C(C1CCCC1)[NH+]1CCC2(CC1)C[NH2+]CCO2 ZINC001574794134 992905717 /nfs/dbraw/zinc/90/57/17/992905717.db2.gz AOWHAGALKUNJBT-UHFFFAOYSA-N 2 0 238.375 1.631 20 0 BDADRP C([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CCC2(C[NH2+]C2)O1 ZINC001574794701 992909024 /nfs/dbraw/zinc/90/90/24/992909024.db2.gz IHDVCIVBFFNNMC-FVCCEPFGSA-N 2 0 236.359 1.286 20 0 BDADRP C([NH2+]CC1C[NH2+]C1)[C@H]1C[C@H]1C1CCCC1 ZINC001574796598 992909882 /nfs/dbraw/zinc/90/98/82/992909882.db2.gz YIZCOLQTZBNJDQ-OLZOCXBDSA-N 2 0 208.349 1.622 20 0 BDADRP C1C[C@]2(C[NH2+]1)CCCC[N@@H+]([C@@H]1CCOC1)C2 ZINC001574801088 992913958 /nfs/dbraw/zinc/91/39/58/992913958.db2.gz NCRIOGFGOSLOBZ-OLZOCXBDSA-N 2 0 224.348 1.241 20 0 BDADRP C([NH2+][C@H]1C[C@@H]2CCC[C@@H]21)[C@H]1CCC2(C[NH2+]C2)O1 ZINC001574816247 992916314 /nfs/dbraw/zinc/91/63/14/992916314.db2.gz BMKAXBBRSAELAH-RNJOBUHISA-N 2 0 236.359 1.286 20 0 BDADRP C1C[C@@H]2[NH2+][C@H]1C[C@H]2[NH2+][C@@H]1CCCSCC1 ZINC001574816852 992918072 /nfs/dbraw/zinc/91/80/72/992918072.db2.gz OAVCHIWOOUNPEM-WISYIIOYSA-N 2 0 226.389 1.755 20 0 BDADRP C([NH2+][C@@H]1C[C@@H]2CCC[C@H]12)[C@H]1CCC2(C[NH2+]C2)O1 ZINC001574816245 992919273 /nfs/dbraw/zinc/91/92/73/992919273.db2.gz BMKAXBBRSAELAH-QNWHQSFQSA-N 2 0 236.359 1.286 20 0 BDADRP C[C@@H](C(=O)Nc1ccc2c[nH+]cn2c1)C1C[NH2+]C1 ZINC001575082399 992986985 /nfs/dbraw/zinc/98/69/85/992986985.db2.gz NVAKMMQCQGEQFS-SECBINFHSA-N 2 0 244.298 1.128 20 0 BDADRP CC(C)(C[NH3+])C(=O)Nc1ccc2c[nH+]cn2c1 ZINC001575308020 993008371 /nfs/dbraw/zinc/00/83/71/993008371.db2.gz ZRNIOZNNFDRASZ-UHFFFAOYSA-N 2 0 232.287 1.258 20 0 BDADRP CC(C)(C[NH3+])C[NH2+][C@H]([C@H](CO)C1CC1)C1CC1 ZINC001575314926 993009374 /nfs/dbraw/zinc/00/93/74/993009374.db2.gz DJBJYFJXMSFWDP-OLZOCXBDSA-N 2 0 240.391 1.358 20 0 BDADRP CC(C)(C[NH3+])C[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC001575314927 993011614 /nfs/dbraw/zinc/01/16/14/993011614.db2.gz DJBJYFJXMSFWDP-QWHCGFSZSA-N 2 0 240.391 1.358 20 0 BDADRP CC(C)([NH3+])CC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC001575354194 993021113 /nfs/dbraw/zinc/02/11/13/993021113.db2.gz HSMAJRIVZFWPKY-SRVKXCTJSA-N 2 0 238.375 1.661 20 0 BDADRP CC(C)C[N@@H+]1CC[C@@H](CNc2ccnc(N)n2)C1 ZINC001262686613 993028220 /nfs/dbraw/zinc/02/82/20/993028220.db2.gz PBAAGOIVINYUIS-NSHDSACASA-N 2 0 249.362 1.449 20 0 BDADRP CC(C)(O)C(C)(C)C[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001575378559 993028900 /nfs/dbraw/zinc/02/89/00/993028900.db2.gz NZNWMPZGYDDFQJ-QUNCOHTASA-N 2 0 226.364 1.253 20 0 BDADRP CC(C)[C@@H](C[NH3+])C[NH2+]CC[C@H](O)C1CCCC1 ZINC001575423058 993039674 /nfs/dbraw/zinc/03/96/74/993039674.db2.gz OPJSWQYAZQYPHR-KBPBESRZSA-N 2 0 242.407 1.748 20 0 BDADRP CC(C)[C@H](C[NH3+])C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC001575422889 993040638 /nfs/dbraw/zinc/04/06/38/993040638.db2.gz NYCCTZYBZVSNHR-HZSPNIEDSA-N 2 0 240.391 1.312 20 0 BDADRP CC(C)[C@H](CCO)[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC001575422005 993041693 /nfs/dbraw/zinc/04/16/93/993041693.db2.gz FHPVTIHJILMLSN-TUAOUCFPSA-N 2 0 214.353 1.110 20 0 BDADRP CC(C)[C@H](C[NH3+])C[NH2+][C@@H]1CC[C@@H]([S@](C)=O)C1 ZINC001575423076 993042259 /nfs/dbraw/zinc/04/22/59/993042259.db2.gz OROZVAWEIIBOFU-QHSOUUPTSA-N 2 0 246.420 1.107 20 0 BDADRP CC(C)[C@H](C[NH3+])C[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001575428845 993042318 /nfs/dbraw/zinc/04/23/18/993042318.db2.gz NTDOTOLCQMYBBG-KKOKHZNYSA-N 2 0 212.337 1.127 20 0 BDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CC12CC(C)(C1)OC2 ZINC001575453480 993048747 /nfs/dbraw/zinc/04/87/47/993048747.db2.gz PJSVHFSKZWIMCC-IYXRBSQSSA-N 2 0 240.391 1.861 20 0 BDADRP CC(C)[C@@H](O)CC[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC001575473728 993054826 /nfs/dbraw/zinc/05/48/26/993054826.db2.gz WUDIEBYEYRBLPF-MELADBBJSA-N 2 0 240.391 1.325 20 0 BDADRP CC(C)C[C@@H](CO)[N@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC001575546132 993068518 /nfs/dbraw/zinc/06/85/18/993068518.db2.gz SXNXCXWMHICNKB-AGIUHOORSA-N 2 0 228.380 1.181 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)NC[C@H](C)C[NH+](C)C ZINC001575643982 993088257 /nfs/dbraw/zinc/08/82/57/993088257.db2.gz CDDUGAMSYNYVNC-RYUDHWBXSA-N 2 0 243.395 1.064 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](C)NC[C@@H]([NH3+])CC(F)F ZINC001575689700 993094558 /nfs/dbraw/zinc/09/45/58/993094558.db2.gz VQCDOMVYBKCLML-ZJUUUORDSA-N 2 0 237.338 1.287 20 0 BDADRP CC(C)[N@@H+]1CCCC[C@@H]1CN[C@@H](C[NH3+])C1CC1 ZINC001575700275 993099555 /nfs/dbraw/zinc/09/95/55/993099555.db2.gz OVUAWZVIDCPJJN-KGLIPLIRSA-N 2 0 239.407 1.576 20 0 BDADRP CC(C)[C@H](CO)[NH2+]Cc1cccc(C[NH3+])c1 ZINC001575831327 993110505 /nfs/dbraw/zinc/11/05/05/993110505.db2.gz KVKNLZZPUZVMNP-ZDUSSCGKSA-N 2 0 222.332 1.252 20 0 BDADRP CC(C)n1ncnc1C[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC001575909466 993123067 /nfs/dbraw/zinc/12/30/67/993123067.db2.gz KKUZSOMXLHNKEN-WDEREUQCSA-N 2 0 237.351 1.076 20 0 BDADRP C[C@@H](C[C@H]1CCOC1)[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC001575940781 993133976 /nfs/dbraw/zinc/13/39/76/993133976.db2.gz BQKOOHGHJZWNEI-DGAVXFQQSA-N 2 0 238.375 1.676 20 0 BDADRP C[C@@H](CCCO)C[NH2+]C1CC(CC[NH3+])C1 ZINC001575953843 993138393 /nfs/dbraw/zinc/13/83/93/993138393.db2.gz NYBVGUQYCNYZCB-UNXYVOJBSA-N 2 0 214.353 1.112 20 0 BDADRP C[C@@H](CC[NH3+])[NH2+]Cc1cc(F)ccc1N(C)C ZINC001575962059 993140981 /nfs/dbraw/zinc/14/09/81/993140981.db2.gz KGOQMZVUHRCOJT-JTQLQIEISA-N 2 0 239.338 1.719 20 0 BDADRP C[C@H](CC[NH3+])[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC001575962351 993141685 /nfs/dbraw/zinc/14/16/85/993141685.db2.gz PUVHYXULYNBYRX-JIMTYQMOSA-N 2 0 224.348 1.127 20 0 BDADRP C[C@H](CCO)[NH2+]CC[C@H]([NH3+])Cc1ccccc1 ZINC001575967389 993143245 /nfs/dbraw/zinc/14/32/45/993143245.db2.gz MXGFJQFHBRDZKE-OCCSQVGLSA-N 2 0 236.359 1.307 20 0 BDADRP O=C(C[C@@H]1CC[NH2+]C1)Nc1cccc2c1C[NH2+]C2 ZINC001263185302 993155332 /nfs/dbraw/zinc/15/53/32/993155332.db2.gz WHAPAPLHIBZREX-JTQLQIEISA-N 2 0 245.326 1.228 20 0 BDADRP C[C@H](COCC1CC1)[NH2+]C[C@@H]([NH3+])CC(F)F ZINC001576038959 993162095 /nfs/dbraw/zinc/16/20/95/993162095.db2.gz APJJETIVRCMSPB-SCZZXKLOSA-N 2 0 236.306 1.374 20 0 BDADRP C[C@H]([NH3+])CN1CC[N@H+](C2CCCC2)[C@@H](C)C1 ZINC001576157157 993194473 /nfs/dbraw/zinc/19/44/73/993194473.db2.gz OFJAZHXMSIDRAY-RYUDHWBXSA-N 2 0 225.380 1.282 20 0 BDADRP C[C@@H]([NH3+])CN1CCC[C@@]1(CO)c1ccccc1 ZINC001576157662 993199169 /nfs/dbraw/zinc/19/91/69/993199169.db2.gz UEOGTCFNEUEONF-TZMCWYRMSA-N 2 0 234.343 1.317 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CC[C@@H]([NH3+])C1)c1ccn(C)n1 ZINC001576245105 993227945 /nfs/dbraw/zinc/22/79/45/993227945.db2.gz NOJRKGQPNAAZAE-GARJFASQSA-N 2 0 222.336 1.198 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CC[C@@H]([NH3+])C1)[C@H]1COC(C)(C)O1 ZINC001576244307 993230164 /nfs/dbraw/zinc/23/01/64/993230164.db2.gz KBUUOVCBPVOOFR-WRWGMCAJSA-N 2 0 242.363 1.243 20 0 BDADRP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@H]1CCCOC1 ZINC001576251102 993234411 /nfs/dbraw/zinc/23/44/11/993234411.db2.gz JXWYRRHPYOPFKK-FHUSYTEZSA-N 2 0 224.348 1.284 20 0 BDADRP C[C@H](O)[C@H](C)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001576262571 993239168 /nfs/dbraw/zinc/23/91/68/993239168.db2.gz FHKLCEUDHZJYPL-RYUDHWBXSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H](O)[C@@H]1CCCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC001576268738 993240450 /nfs/dbraw/zinc/24/04/50/993240450.db2.gz FPHHUUZGAJFFCB-NDBYEHHHSA-N 2 0 226.364 1.077 20 0 BDADRP C[C@@H](O)C(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001576263229 993241619 /nfs/dbraw/zinc/24/16/19/993241619.db2.gz GTTNGOBZXUWWMM-YIBTVLSRSA-N 2 0 226.364 1.266 20 0 BDADRP CC(C)(C)[NH+]1CCN(C[C@H]([NH3+])CC(F)F)CC1 ZINC000379747991 993275934 /nfs/dbraw/zinc/27/59/34/993275934.db2.gz AXIUVLNFDGMYNT-SNVBAGLBSA-N 2 0 249.349 1.385 20 0 BDADRP COC(=O)C(C)(C)C[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC000379807280 993279671 /nfs/dbraw/zinc/27/96/71/993279671.db2.gz OFIWJIBDSRGRNU-LLVKDONJSA-N 2 0 242.363 1.260 20 0 BDADRP Cc1cc(N[C@H]2CC[N@@H+](C)C2)cc(C)[nH+]1 ZINC000379810375 993280513 /nfs/dbraw/zinc/28/05/13/993280513.db2.gz ZUFLKSQGOIJMDY-NSHDSACASA-N 2 0 205.305 1.236 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001576380558 993284268 /nfs/dbraw/zinc/28/42/68/993284268.db2.gz UNHBTLRZPDXCMR-LXUNUROVSA-N 2 0 210.321 1.022 20 0 BDADRP CC1(C)C[C@H]([NH2+]C2CC3(C[C@@H]3[NH3+])C2)CCO1 ZINC001576393868 993294027 /nfs/dbraw/zinc/29/40/27/993294027.db2.gz MVFMEDMYAHEVMU-JJOYANBFSA-N 2 0 224.348 1.413 20 0 BDADRP CC1(C)C[C@@H]([NH2+]C2CC3(C[C@@H]3[NH3+])C2)CCO1 ZINC001576393870 993296505 /nfs/dbraw/zinc/29/65/05/993296505.db2.gz MVFMEDMYAHEVMU-URAGZPLESA-N 2 0 224.348 1.413 20 0 BDADRP CC1(C)C[C@@H](O)C[N@H+](CC2(C[NH3+])CCC2)C1 ZINC001576395183 993297178 /nfs/dbraw/zinc/29/71/78/993297178.db2.gz YXBFPZKRAPZROB-LLVKDONJSA-N 2 0 226.364 1.208 20 0 BDADRP CC1(C)CC[C@H](C[NH2+]C2CC3(C[C@H]3[NH3+])C2)O1 ZINC001576421106 993299718 /nfs/dbraw/zinc/29/97/18/993299718.db2.gz GCQFCSXQAATMCZ-QRVCZOOMSA-N 2 0 224.348 1.413 20 0 BDADRP CC1(C)CN([C@H]2CCC[NH2+]C2)CCCO1 ZINC000380127982 993315970 /nfs/dbraw/zinc/31/59/70/993315970.db2.gz SFDFMDPXZWIVAV-NSHDSACASA-N 2 0 212.337 1.239 20 0 BDADRP CC1(C)OC[C@H](CC[NH2+][C@@H]2CCCC[C@H]2[NH3+])O1 ZINC001576495545 993321254 /nfs/dbraw/zinc/32/12/54/993321254.db2.gz QTRRCKKASVHSEB-QJPTWQEYSA-N 2 0 242.363 1.388 20 0 BDADRP CC1(C)[C@H]2[C@H](CCC[N@@H+]2C[C@@H]2CC[NH2+]C2)[C@@H]1O ZINC001576495418 993322578 /nfs/dbraw/zinc/32/25/78/993322578.db2.gz TWCAUYLVVLXFPE-XQHKEYJVSA-N 2 0 238.375 1.077 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC[C@H]1COC(C)(C)O1 ZINC001576494345 993322608 /nfs/dbraw/zinc/32/26/08/993322608.db2.gz ACLAZTMGFJGSMS-HBNTYKKESA-N 2 0 242.363 1.243 20 0 BDADRP CC1(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)COC1 ZINC001576503351 993324061 /nfs/dbraw/zinc/32/40/61/993324061.db2.gz PDMOLBFNFJTZSD-AAEUAGOBSA-N 2 0 224.348 1.084 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H]1CCOC1 ZINC000380318390 993325128 /nfs/dbraw/zinc/32/51/28/993325128.db2.gz JRGIYLHBPHMVII-NEPJUHHUSA-N 2 0 214.353 1.485 20 0 BDADRP C[C@]1(CN2CC3(C2)CC[NH2+]C3)CCCCO1 ZINC001576503359 993326283 /nfs/dbraw/zinc/32/62/83/993326283.db2.gz QFLZAWYNAIGYQV-GFCCVEGCSA-N 2 0 224.348 1.241 20 0 BDADRP C[C@@]1(CN2CCC[C@@H]([NH3+])C2)CCCCO1 ZINC001576503648 993326576 /nfs/dbraw/zinc/32/65/76/993326576.db2.gz UNDLASACFVSSAU-NEPJUHHUSA-N 2 0 212.337 1.369 20 0 BDADRP CC(C)(C)[C@@H](O)C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000380684775 993342645 /nfs/dbraw/zinc/34/26/45/993342645.db2.gz HFWVMXWZQLDURQ-RYUDHWBXSA-N 2 0 228.380 1.454 20 0 BDADRP C[C@@H]1[C@H](CO)CC[N@@H+]1C[C@@]1(C)CCC[NH2+]C1 ZINC001576572301 993351348 /nfs/dbraw/zinc/35/13/48/993351348.db2.gz KOCRCHYSYNXENY-AGIUHOORSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@H]1C[C@H](C[NH2+]CCC2CSC2)CC[NH2+]1 ZINC001576596871 993361645 /nfs/dbraw/zinc/36/16/45/993361645.db2.gz BFRGPNVDTPMRGB-WDEREUQCSA-N 2 0 228.405 1.717 20 0 BDADRP C[C@H]1CC[C@@H](C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)O1 ZINC001576648962 993384316 /nfs/dbraw/zinc/38/43/16/993384316.db2.gz CNTRSWCCAVRNNT-RNJOBUHISA-N 2 0 224.348 1.095 20 0 BDADRP C[C@@H]1CCC[C@@H]1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC001576681774 993393907 /nfs/dbraw/zinc/39/39/07/993393907.db2.gz NGEVARSRVMXKIU-CQLXCSJHSA-N 2 0 208.349 1.764 20 0 BDADRP C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC001576680991 993394324 /nfs/dbraw/zinc/39/43/24/993394324.db2.gz YBTHGZZLNFLMRG-IUODEOHRSA-N 2 0 248.370 1.786 20 0 BDADRP C[C@H]1CC[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)CCO1 ZINC001576732752 993407168 /nfs/dbraw/zinc/40/71/68/993407168.db2.gz XFTUPHSVMUXHLE-SDDRHHMPSA-N 2 0 212.337 1.225 20 0 BDADRP C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC001576731935 993409538 /nfs/dbraw/zinc/40/95/38/993409538.db2.gz PQKBGCBNAZNZOI-DGTMBMJNSA-N 2 0 240.391 1.323 20 0 BDADRP C[C@@H]1CCN[C@@H](C)[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC001576748669 993413208 /nfs/dbraw/zinc/41/32/08/993413208.db2.gz KTDPFPDNEMRXFX-MBNYWOFBSA-N 2 0 239.407 1.304 20 0 BDADRP C[C@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CCC1(F)F ZINC001576806913 993428563 /nfs/dbraw/zinc/42/85/63/993428563.db2.gz KVLMOLPKFZIGKT-WDEREUQCSA-N 2 0 232.318 1.963 20 0 BDADRP C[C@H]1C[N@H+](C[C@@H]2C[C@H]2c2cnn(C)c2)CC[C@H]1[NH3+] ZINC001576806038 993429072 /nfs/dbraw/zinc/42/90/72/993429072.db2.gz ALWITKBWAFVTNM-CDGCEXEKSA-N 2 0 248.374 1.193 20 0 BDADRP CC(C)[N@@H+](C)C[C@@H](C)N[C@@H]1C[NH2+]C[C@H](C)C1 ZINC001576849071 993431100 /nfs/dbraw/zinc/43/11/00/993431100.db2.gz BCXWWMUHIIJHLE-UPJWGTAASA-N 2 0 227.396 1.303 20 0 BDADRP C1[C@@H]2CCCC[C@@H]2C[N@H+]1[C@@H]1CCC[NH2+]C1 ZINC000381910622 993431923 /nfs/dbraw/zinc/43/19/23/993431923.db2.gz ZSGQHCGQDSDDEH-FRRDWIJNSA-N 2 0 208.349 1.860 20 0 BDADRP C[C@@H]1CSC[C@H]1[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001576861657 993431992 /nfs/dbraw/zinc/43/19/92/993431992.db2.gz RDYNZLLMXSWEJQ-QWPZBJEXSA-N 2 0 212.362 1.207 20 0 BDADRP C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC001576852110 993435200 /nfs/dbraw/zinc/43/52/00/993435200.db2.gz AZEVZNMRVDXKHM-DDHJBXDOSA-N 2 0 226.364 1.374 20 0 BDADRP C[C@@H]1SCC[C@@H]1[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001576913933 993453626 /nfs/dbraw/zinc/45/36/26/993453626.db2.gz MHARIURTGSLIID-ZTTFNVLMSA-N 2 0 212.362 1.350 20 0 BDADRP CC[C@H](C)[C@H](CN[C@@H](C)C[NH2+]C)OC ZINC001576972562 993471034 /nfs/dbraw/zinc/47/10/34/993471034.db2.gz SYFYRTLLDRALAQ-DCAQKATOSA-N 2 0 202.342 1.245 20 0 BDADRP CCC(CC)(C[NH3+])C[NH2+]C[C@@H](O)C1CC1 ZINC001577051923 993490192 /nfs/dbraw/zinc/49/01/92/993490192.db2.gz GOZQBZBCHXMUMA-LLVKDONJSA-N 2 0 214.353 1.112 20 0 BDADRP CCC(CC)(C[NH3+])C[NH2+]CC1(C(=O)OC)CC1 ZINC001577052400 993491438 /nfs/dbraw/zinc/49/14/38/993491438.db2.gz RTZXKEDWUIMEGW-UHFFFAOYSA-N 2 0 242.363 1.294 20 0 BDADRP CCC(CC)(C[NH3+])[NH2+]C[C@@H](OC)[C@H]1CCOC1 ZINC001577059560 993493511 /nfs/dbraw/zinc/49/35/11/993493511.db2.gz QBNVRHFBQWVTKC-NWDGAFQWSA-N 2 0 244.379 1.145 20 0 BDADRP CC[C@H](CO)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001577088424 993497345 /nfs/dbraw/zinc/49/73/45/993497345.db2.gz CHJLKTBRCRWQMS-MELADBBJSA-N 2 0 240.391 1.469 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH+]2CCCC[C@H](C[NH3+])C2)CC1 ZINC000383743774 993514845 /nfs/dbraw/zinc/51/48/45/993514845.db2.gz ISJIXHPBOTYFPK-ZIAGYGMSSA-N 3 0 239.407 1.532 20 0 BDADRP CC[C@]1(C)C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC001577208867 993547237 /nfs/dbraw/zinc/54/72/37/993547237.db2.gz NOBOUIAPQOVIKP-MGPQQGTHSA-N 2 0 240.391 1.875 20 0 BDADRP CC[NH+](CC)C1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000384223518 993557577 /nfs/dbraw/zinc/55/75/77/993557577.db2.gz DTWQKDHIHHKEBJ-CYBMUJFWSA-N 2 0 239.407 1.402 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+][C@@H]2C)CCO1 ZINC001577242965 993558070 /nfs/dbraw/zinc/55/80/70/993558070.db2.gz YDVFORMEZZHWED-KXNHARMFSA-N 2 0 212.337 1.284 20 0 BDADRP CCCC[N@H+](CCCO)CCC1C[NH2+]C1 ZINC001577454734 993664915 /nfs/dbraw/zinc/66/49/15/993664915.db2.gz MVHRLLYSASZTMM-UHFFFAOYSA-N 2 0 214.353 1.080 20 0 BDADRP CCCN(CC)C[C@H](C)[NH2+]C1CC(C[NH3+])C1 ZINC001577510634 993674609 /nfs/dbraw/zinc/67/46/09/993674609.db2.gz WKDMMWUNBGLKII-HIFPTAJRSA-N 2 0 227.396 1.434 20 0 BDADRP CCCN(CC)C[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC001577510236 993674789 /nfs/dbraw/zinc/67/47/89/993674789.db2.gz GJNUGZMVMLJSJH-RWMBFGLXSA-N 2 0 227.396 1.434 20 0 BDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@H](C)[C@H](C)[NH3+] ZINC001577510253 993677409 /nfs/dbraw/zinc/67/74/09/993677409.db2.gz HKULHHNMDDQFAJ-UTUOFQBUSA-N 2 0 243.395 1.206 20 0 BDADRP CC[N@H+](CC(=O)NC(CC)(CC)C[NH3+])C1CC1 ZINC001577663243 993715473 /nfs/dbraw/zinc/71/54/73/993715473.db2.gz NRXHFVMUZUNREX-UHFFFAOYSA-N 2 0 241.379 1.104 20 0 BDADRP CC[NH+](CC)C[C@@H](C)NCC12CC(C1)C[NH2+]2 ZINC001577684496 993717790 /nfs/dbraw/zinc/71/77/90/993717790.db2.gz BRUZLGQIHOGSJN-PNESKVBLSA-N 2 0 225.380 1.058 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCCC[C@@H]2CO)CC1 ZINC000390537932 993797563 /nfs/dbraw/zinc/79/75/63/993797563.db2.gz PSJKNINNKGVRRP-CYBMUJFWSA-N 2 0 226.364 1.175 20 0 BDADRP C[N@@H+]1CCC[C@@H](N2CCCC[C@@H](C[NH3+])C2)C1 ZINC000390620861 993799391 /nfs/dbraw/zinc/79/93/91/993799391.db2.gz FPHNWTTUARZAMJ-QWHCGFSZSA-N 2 0 225.380 1.141 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@@]2(C)CCOC2)CC1 ZINC000390674250 993800875 /nfs/dbraw/zinc/80/08/75/993800875.db2.gz WRZHEQHZGWWXHS-BPCQOVAHSA-N 2 0 226.364 1.628 20 0 BDADRP COc1cncc(C[NH+]2CCC(C[NH3+])CC2)c1 ZINC000700018935 993819477 /nfs/dbraw/zinc/81/94/77/993819477.db2.gz SXBZJAHZATWSNS-UHFFFAOYSA-N 2 0 235.331 1.261 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)[C@H](C)O ZINC000700785186 993851362 /nfs/dbraw/zinc/85/13/62/993851362.db2.gz CNPYVRJUUMGGJZ-GRYCIOLGSA-N 2 0 214.353 1.077 20 0 BDADRP CC[C@@H](C)C[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C ZINC001265818988 993952992 /nfs/dbraw/zinc/95/29/92/993952992.db2.gz WVCIDJWIYQVBFT-NEPJUHHUSA-N 2 0 243.395 1.079 20 0 BDADRP OCCCCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000393753734 994001779 /nfs/dbraw/zinc/00/17/79/994001779.db2.gz VBADOYNESDNONI-BETUJISGSA-N 2 0 226.364 1.080 20 0 BDADRP CC[NH2+]CCC[C@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001283238378 994268122 /nfs/dbraw/zinc/26/81/22/994268122.db2.gz HNQZVZTZHPYKAY-RYUDHWBXSA-N 2 0 243.395 1.221 20 0 BDADRP C[NH2+][C@H](C)CCN[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC001333599548 994483179 /nfs/dbraw/zinc/48/31/79/994483179.db2.gz XBWLCKWGDMKZDC-WOPDTQHZSA-N 2 0 227.396 1.480 20 0 BDADRP C[C@H]([NH3+])CN1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC001334337458 994583420 /nfs/dbraw/zinc/58/34/20/994583420.db2.gz JVZDTKYTFWCROP-STQMWFEESA-N 2 0 239.407 1.435 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+]Cc1ccc(C[NH3+])cc1 ZINC001334775107 994632692 /nfs/dbraw/zinc/63/26/92/994632692.db2.gz RLYHAMCRIZYMJQ-LLVKDONJSA-N 2 0 221.348 1.233 20 0 BDADRP CC[NH+](CC)CCNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000399466756 262784209 /nfs/dbraw/zinc/78/42/09/262784209.db2.gz UADMHQNWTMYIHJ-RYUDHWBXSA-N 2 0 243.395 1.064 20 0 BDADRP CC[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000563201401 398146436 /nfs/dbraw/zinc/14/64/36/398146436.db2.gz UDIVDUDBZVDEGY-IJLUTSLNSA-N 2 0 241.379 1.103 20 0 BDADRP Cc1cc(CN2C[C@H]3C[NH2+]C[C@H]3C2)ccc1F ZINC000090320177 178006034 /nfs/dbraw/zinc/00/60/34/178006034.db2.gz JWDMZEPQKBGVOJ-BETUJISGSA-N 2 0 234.318 1.785 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)Cc1cccs1 ZINC000379574830 398152817 /nfs/dbraw/zinc/15/28/17/398152817.db2.gz LAHAQUUTDFAWQL-ZJUUUORDSA-N 2 0 212.362 1.864 20 0 BDADRP COC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000422939739 398158509 /nfs/dbraw/zinc/15/85/09/398158509.db2.gz RNRJZSUDMKAEQG-DRZSPHRISA-N 2 0 226.364 1.389 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CCCSCC1 ZINC000042444854 398171739 /nfs/dbraw/zinc/17/17/39/398171739.db2.gz HQDBBMASHLGAQK-LLVKDONJSA-N 2 0 214.378 1.425 20 0 BDADRP CC[C@](C)(C[NH2+]CCCC[NH+](C)C)OC ZINC000390336905 398172202 /nfs/dbraw/zinc/17/22/02/398172202.db2.gz LORDBKOYBGXGSI-GFCCVEGCSA-N 2 0 216.369 1.733 20 0 BDADRP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)ccn1 ZINC000336233895 178032716 /nfs/dbraw/zinc/03/27/16/178032716.db2.gz YGWXYWNGTLCZFV-SMDDNHRTSA-N 2 0 233.359 1.820 20 0 BDADRP Cc1ncsc1CN1CCC(C)([NH3+])CC1 ZINC000390381572 398172375 /nfs/dbraw/zinc/17/23/75/398172375.db2.gz ZSIXLKQGAKKUBX-UHFFFAOYSA-N 2 0 225.361 1.765 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCOCC1CCCC1 ZINC000313278283 398182250 /nfs/dbraw/zinc/18/22/50/398182250.db2.gz FQGTXZIBHKHEQI-KBPBESRZSA-N 2 0 240.391 1.910 20 0 BDADRP COCC[C@](C)(O)C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422976804 398161316 /nfs/dbraw/zinc/16/13/16/398161316.db2.gz JBBXVBLYPUBIMM-AVGNSLFASA-N 2 0 244.379 1.024 20 0 BDADRP C[C@@H]([NH2+][C@@H](CO)CC1CCCC1)C1C[NH2+]C1 ZINC000423023513 398163022 /nfs/dbraw/zinc/16/30/22/398163022.db2.gz JUFWMLGWHQZWCL-ZWNOBZJWSA-N 2 0 226.364 1.125 20 0 BDADRP C[C@H]([NH2+][C@H](CO)CC1CCCC1)[C@H]1CC[NH2+]C1 ZINC000423023699 398163270 /nfs/dbraw/zinc/16/32/70/398163270.db2.gz KELJSRRPHJMFFE-UBHSHLNASA-N 2 0 240.391 1.515 20 0 BDADRP CO[C@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000385933149 398192550 /nfs/dbraw/zinc/19/25/50/398192550.db2.gz DPCUZQVFEXMHOP-QLFBSQMISA-N 2 0 246.354 1.525 20 0 BDADRP CC[C@H](COC)[NH2+][C@@H](C)CCCC[NH3+] ZINC000336692950 398193041 /nfs/dbraw/zinc/19/30/41/398193041.db2.gz QPCMIZCCUANCBI-WDEREUQCSA-N 2 0 202.342 1.519 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1ccccc1CC[NH3+] ZINC000576236575 365532876 /nfs/dbraw/zinc/53/28/76/365532876.db2.gz UDFWNEOLTAHPJY-GHMZBOCLSA-N 2 0 249.358 1.043 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@@H]1CCCc2occc21 ZINC000336706169 398204370 /nfs/dbraw/zinc/20/43/70/398204370.db2.gz RJUAAILWMCQACC-GXSJLCMTSA-N 2 0 208.305 1.841 20 0 BDADRP COCC1(CC[NH2+][C@@H](C)CCC[NH3+])CC1 ZINC000647801156 398207701 /nfs/dbraw/zinc/20/77/01/398207701.db2.gz PYKRYHGMROILEJ-NSHDSACASA-N 2 0 214.353 1.520 20 0 BDADRP CC(C)N(Cc1ccccn1)C[C@@H]1CC[NH2+]C1 ZINC000649411919 398214157 /nfs/dbraw/zinc/21/41/57/398214157.db2.gz UVGNNFBTDPVFNP-CYBMUJFWSA-N 2 0 233.359 1.902 20 0 BDADRP C[C@@H]([NH2+]CC1CCC(F)CC1)C1C[NH2+]C1 ZINC000647803996 398214567 /nfs/dbraw/zinc/21/45/67/398214567.db2.gz HFPCJWGHMLZJFI-GRZMOONWSA-N 2 0 214.328 1.712 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](CCc2cn[nH]c2)CC1 ZINC000381007450 398217547 /nfs/dbraw/zinc/21/75/47/398217547.db2.gz QZIRVEGEECGCMD-SNVBAGLBSA-N 2 0 222.336 1.011 20 0 BDADRP Cc1nn(C)cc1[C@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000649414344 398212973 /nfs/dbraw/zinc/21/29/73/398212973.db2.gz UIUCTOAAUVBHHG-TZMCWYRMSA-N 2 0 248.374 1.475 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000070169316 398221648 /nfs/dbraw/zinc/22/16/48/398221648.db2.gz KABUMQJRLSROOT-LBPRGKRZSA-N 2 0 234.343 1.953 20 0 BDADRP COC[C@H](C)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000163548956 538929259 /nfs/dbraw/zinc/92/92/59/538929259.db2.gz PTSRMFSCLXFFMS-SNVBAGLBSA-N 2 0 202.342 1.186 20 0 BDADRP C[C@H](CNC(=O)CCC[NH3+])[N@@H+]1CCCC[C@H]1C ZINC000430766224 398232048 /nfs/dbraw/zinc/23/20/48/398232048.db2.gz WMPMCXXZNBIQAR-VXGBXAGGSA-N 2 0 241.379 1.104 20 0 BDADRP C=Cn1cc(C[NH2+]C2CCC([NH+](C)C)CC2)cn1 ZINC000421365806 192333225 /nfs/dbraw/zinc/33/32/25/192333225.db2.gz BFFWBSCQCMGUCY-UHFFFAOYSA-N 2 0 248.374 1.946 20 0 BDADRP C1C[N@@H+]2CCCC[C@@H]2[C@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000252779426 136226743 /nfs/dbraw/zinc/22/67/43/136226743.db2.gz LQWIXPSFASFBFS-HZSPNIEDSA-N 2 0 237.391 1.345 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@H]1CCC[NH2+]CC1 ZINC000252786297 136227073 /nfs/dbraw/zinc/22/70/73/136227073.db2.gz POGIJXCSSGIMQV-QWHCGFSZSA-N 2 0 225.380 1.202 20 0 BDADRP COCC[C@H](C)[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000576475715 365606025 /nfs/dbraw/zinc/60/60/25/365606025.db2.gz LBPNVGYGOVTSFM-NWDGAFQWSA-N 2 0 237.347 1.634 20 0 BDADRP COCC1(NCC[NH2+]C(C)(C)C)CCCC1 ZINC000576598724 365636824 /nfs/dbraw/zinc/63/68/24/365636824.db2.gz WGTRXJAKUJANCH-UHFFFAOYSA-N 2 0 228.380 1.923 20 0 BDADRP CO[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)C1CC1 ZINC000383229356 398257561 /nfs/dbraw/zinc/25/75/61/398257561.db2.gz MUCPTGXUGCPGOC-FZMZJTMJSA-N 2 0 240.391 1.731 20 0 BDADRP CC(C)[N@@H+](C)C[C@@H](C)N[C@H](C)c1ncc[nH]1 ZINC000290034384 538946438 /nfs/dbraw/zinc/94/64/38/538946438.db2.gz DAYOYTWSKQKTRY-GHMZBOCLSA-N 2 0 224.352 1.789 20 0 BDADRP C[NH2+]C[C@](C)(O)C[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000576708102 365665542 /nfs/dbraw/zinc/66/55/42/365665542.db2.gz DKQLMQUQAIADNT-RVMXOQNASA-N 2 0 228.380 1.371 20 0 BDADRP CC[C@@H](C)C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000180233803 538957107 /nfs/dbraw/zinc/95/71/07/538957107.db2.gz XZLVDYMLNCJZCK-CQSZACIVSA-N 2 0 241.423 1.650 20 0 BDADRP Cc1n[nH]cc1[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000180459771 538958559 /nfs/dbraw/zinc/95/85/59/538958559.db2.gz MQZDCXRYSXHIDS-SNVBAGLBSA-N 2 0 236.363 1.711 20 0 BDADRP CCOCC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000036228518 538958992 /nfs/dbraw/zinc/95/89/92/538958992.db2.gz WNCDDVGOGYZGAB-LLVKDONJSA-N 2 0 214.353 1.343 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000166566243 361853427 /nfs/dbraw/zinc/85/34/27/361853427.db2.gz JOYACOLPGACSIP-NWDGAFQWSA-N 2 0 216.369 1.730 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](O)C2)CC1 ZINC000037164741 538961583 /nfs/dbraw/zinc/96/15/83/538961583.db2.gz MERUNVUHYNOTME-UONOGXRCSA-N 2 0 240.391 1.754 20 0 BDADRP CN1CCC[C@@H]1C[NH2+]CCC1CCOCC1 ZINC000381865112 398280279 /nfs/dbraw/zinc/28/02/79/398280279.db2.gz XDWLOZNKWBMMTE-CYBMUJFWSA-N 2 0 226.364 1.487 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(CO)CCC2)[C@H](C)C1 ZINC000184529741 538969087 /nfs/dbraw/zinc/96/90/87/538969087.db2.gz QXZJSBAKRHSORI-CHWSQXEVSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C2CCC(C[NH3+])CC2)CS1 ZINC000335611716 136236913 /nfs/dbraw/zinc/23/69/13/136236913.db2.gz IHUASAGZTHHTPX-YYJSSNLHSA-N 2 0 228.405 1.988 20 0 BDADRP CC[C@H]1COCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000036326758 342809287 /nfs/dbraw/zinc/80/92/87/342809287.db2.gz UFSOZDICZMQRGN-ZDUSSCGKSA-N 2 0 226.364 1.487 20 0 BDADRP CC(C)[C@](C)(O)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000380190412 538987133 /nfs/dbraw/zinc/98/71/33/538987133.db2.gz PTDYMCQMFRWPHE-TZMCWYRMSA-N 2 0 242.407 1.713 20 0 BDADRP COC[C@@H](C)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000045657226 538992881 /nfs/dbraw/zinc/99/28/81/538992881.db2.gz TXMKDGJGJMUNIJ-NWDGAFQWSA-N 2 0 228.380 1.589 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCOCC1CCC1 ZINC000562280590 323014831 /nfs/dbraw/zinc/01/48/31/323014831.db2.gz DGPWQESEFRBNEA-JSGCOSHPSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)C(C)(C)O ZINC000381290750 538997762 /nfs/dbraw/zinc/99/77/62/538997762.db2.gz DAMIJJOMYZAVTN-WDEREUQCSA-N 2 0 228.380 1.466 20 0 BDADRP [NH3+]CCC[NH2+][C@@H]1CCc2c1cccc2F ZINC000214684019 342839730 /nfs/dbraw/zinc/83/97/30/342839730.db2.gz QQUDTZRIKSEJPY-GFCCVEGCSA-N 2 0 208.280 1.751 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@H](C)CC[NH+](C)C ZINC000389905327 539018395 /nfs/dbraw/zinc/01/83/95/539018395.db2.gz GSMIVQYQNJXZDS-VXGBXAGGSA-N 2 0 216.369 1.467 20 0 BDADRP CC(C)[N@@H+]1CCCN(C[C@H]2CCC[NH+]2C)CC1 ZINC000649507456 398303234 /nfs/dbraw/zinc/30/32/34/398303234.db2.gz UCEKOXZWQMHHIO-CQSZACIVSA-N 2 0 239.407 1.497 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCF ZINC000127015037 342864901 /nfs/dbraw/zinc/86/49/01/342864901.db2.gz DIQLJVSNTUDVEO-MXWKQRLJSA-N 2 0 202.317 1.664 20 0 BDADRP Nc1cccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000351482149 136245947 /nfs/dbraw/zinc/24/59/47/136245947.db2.gz ZEYLLXFXAUNSGR-IACUBPJLSA-N 2 0 231.343 1.438 20 0 BDADRP CC[NH2+]CCC[NH2+][C@@H]1C[C@H](OCC)C1(C)C ZINC000233510772 342910128 /nfs/dbraw/zinc/91/01/28/342910128.db2.gz GOCJIGTUJLKIGF-NEPJUHHUSA-N 2 0 228.380 1.779 20 0 BDADRP CC[C@H](CSC)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400493557 529415676 /nfs/dbraw/zinc/41/56/76/529415676.db2.gz DAZBXTIJMIMIDN-GMTAPVOTSA-N 2 0 216.394 1.858 20 0 BDADRP COC(=O)C1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000602624674 349642316 /nfs/dbraw/zinc/64/23/16/349642316.db2.gz PTXMJVCZYCSZCO-WDEREUQCSA-N 2 0 240.347 1.012 20 0 BDADRP CC[C@]1(O)CC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000495260839 529442500 /nfs/dbraw/zinc/44/25/00/529442500.db2.gz HZFZFUUGRZVZRN-STQMWFEESA-N 2 0 226.364 1.318 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCO1 ZINC000300425474 398344655 /nfs/dbraw/zinc/34/46/55/398344655.db2.gz ZBTCGFHPWPIASL-YJBUHQLJSA-N 2 0 238.375 1.769 20 0 BDADRP CC(C)(C)CCC[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313355435 259333633 /nfs/dbraw/zinc/33/36/33/259333633.db2.gz PNMWHGDZXFCBQM-LBPRGKRZSA-N 2 0 228.380 1.862 20 0 BDADRP CC[C@@H](C)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000053486162 346902326 /nfs/dbraw/zinc/90/23/26/346902326.db2.gz VMPLHXDXQGLLJJ-VXGBXAGGSA-N 2 0 213.369 1.010 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)CCc1ccco1 ZINC000308806307 259340892 /nfs/dbraw/zinc/34/08/92/259340892.db2.gz AGHFJGGGMFXACZ-QWRGUYRKSA-N 2 0 210.321 1.785 20 0 BDADRP Nc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000335906773 136260882 /nfs/dbraw/zinc/26/08/82/136260882.db2.gz XSIXBNJVPBKGDY-TZMCWYRMSA-N 2 0 231.343 1.453 20 0 BDADRP CC(C)C[C@@H]([NH3+])c1noc([C@H]2CC23C[NH2+]C3)n1 ZINC000576822905 365694476 /nfs/dbraw/zinc/69/44/76/365694476.db2.gz QBPODBVVIDTYTH-RKDXNWHRSA-N 2 0 236.319 1.192 20 0 BDADRP CC(C)[NH2+]CCCN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000562956201 323034980 /nfs/dbraw/zinc/03/49/80/323034980.db2.gz JVBIMJHBJHMBDO-NEPJUHHUSA-N 2 0 213.369 1.105 20 0 BDADRP CC[C@@H]([NH3+])C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000236865604 343113649 /nfs/dbraw/zinc/11/36/49/343113649.db2.gz DEMGRSBIPSXISF-LLVKDONJSA-N 2 0 221.304 1.082 20 0 BDADRP COC[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])C(C)C ZINC000569684671 323036900 /nfs/dbraw/zinc/03/69/00/323036900.db2.gz WGIXEBPAWBPNBL-DCAQKATOSA-N 2 0 202.342 1.373 20 0 BDADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000576881309 365712704 /nfs/dbraw/zinc/71/27/04/365712704.db2.gz YULQIDGKPCZJJC-LSDHHAIUSA-N 2 0 248.370 1.446 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(C(N)=O)cc1 ZINC000124525815 343162772 /nfs/dbraw/zinc/16/27/72/343162772.db2.gz WXYQMFJHQZTXEE-ZWNOBZJWSA-N 2 0 247.342 1.097 20 0 BDADRP COCCCC[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000158503895 343200879 /nfs/dbraw/zinc/20/08/79/343200879.db2.gz HNQNGJQBXOVTHK-LLVKDONJSA-N 2 0 200.326 1.084 20 0 BDADRP C[NH+]1CCC(CC[NH2+]CC2=CCCOC2)CC1 ZINC000127057195 343235655 /nfs/dbraw/zinc/23/56/55/343235655.db2.gz GYRFDBUCFXRMML-UHFFFAOYSA-N 2 0 238.375 1.655 20 0 BDADRP CC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000088091296 136284509 /nfs/dbraw/zinc/28/45/09/136284509.db2.gz NETAXUXTSYKSQU-FRRDWIJNSA-N 2 0 226.364 1.173 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCCN(Cc2ccno2)C1 ZINC000069626875 343286566 /nfs/dbraw/zinc/28/65/66/343286566.db2.gz WXMGAQFTROTTRJ-VHSXEESVSA-N 2 0 209.293 1.234 20 0 BDADRP COC[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000308572450 488209124 /nfs/dbraw/zinc/20/91/24/488209124.db2.gz CKBPUJUSXPSNHZ-GHMZBOCLSA-N 2 0 200.326 1.095 20 0 BDADRP C[NH2+]CCCN1CC[C@@H](C[NH3+])c2ccccc21 ZINC000634690790 343278682 /nfs/dbraw/zinc/27/86/82/343278682.db2.gz STYVYYOAOVGOIS-LBPRGKRZSA-N 2 0 233.359 1.549 20 0 BDADRP Cc1ccc(CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)o1 ZINC000572986028 323040062 /nfs/dbraw/zinc/04/00/62/323040062.db2.gz ZEEXCXJFRVHSSL-NWDGAFQWSA-N 2 0 222.332 1.990 20 0 BDADRP Cc1nccn1CCC[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000348757896 136297137 /nfs/dbraw/zinc/29/71/37/136297137.db2.gz YZSWXPLHWHAWAU-ZDUSSCGKSA-N 2 0 236.363 1.252 20 0 BDADRP C[C@@H]1CCNC[C@@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000335636507 136301070 /nfs/dbraw/zinc/30/10/70/136301070.db2.gz MBSJGRGYVAYKSC-XVSSEFHLSA-N 2 0 225.380 1.092 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000310203326 343381579 /nfs/dbraw/zinc/38/15/79/343381579.db2.gz CGWUOBNBIILCLB-REWJHTLYSA-N 2 0 242.407 1.713 20 0 BDADRP CCN1C[C@H]([NH2+][C@@H](C)[C@H](C)OC)[C@@H](C)C1 ZINC000380159798 343386355 /nfs/dbraw/zinc/38/63/55/343386355.db2.gz AKKDPEWBBROSTJ-BJDJZHNGSA-N 2 0 214.353 1.340 20 0 BDADRP CCSCC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602876611 349807172 /nfs/dbraw/zinc/80/71/72/349807172.db2.gz HGXHNQROEHNCLE-LBPRGKRZSA-N 2 0 246.420 1.128 20 0 BDADRP COC[C@H]([NH2+][C@@H](C)CC[NH+](C)C)C(C)C ZINC000087479631 536878006 /nfs/dbraw/zinc/87/80/06/536878006.db2.gz JJAJMWXEWGJUEK-RYUDHWBXSA-N 2 0 216.369 1.587 20 0 BDADRP C[NH+](C)[C@H](CNC(=O)C(C)(C)[NH3+])c1ccccc1 ZINC000040925000 343411299 /nfs/dbraw/zinc/41/12/99/343411299.db2.gz UADXULZKWPJLDV-GFCCVEGCSA-N 2 0 249.358 1.143 20 0 BDADRP CC[N@H+](CCC[NH+](C)C)CC(C)(C)COC ZINC000349364099 136343296 /nfs/dbraw/zinc/34/32/96/136343296.db2.gz FQXJFUJRVPTRKC-UHFFFAOYSA-N 2 0 230.396 1.933 20 0 BDADRP C[C@@H]1C[C@@H]1C[N@H+](C)CCCn1ccnc1 ZINC000349423419 136345862 /nfs/dbraw/zinc/34/58/62/136345862.db2.gz XGCBTJUGGUPFEY-VXGBXAGGSA-N 2 0 207.321 1.861 20 0 BDADRP CCC[N@H+](C[C@H](O)CN(C)CC)C(C)C ZINC000379930486 365742426 /nfs/dbraw/zinc/74/24/26/365742426.db2.gz VXIMJFZKMHSULQ-GFCCVEGCSA-N 2 0 216.369 1.419 20 0 BDADRP CC(C)[C@H](O)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000335718504 136340462 /nfs/dbraw/zinc/34/04/62/136340462.db2.gz PUHRSNUIIOJHQP-CYBMUJFWSA-N 2 0 240.391 1.564 20 0 BDADRP C[N@H+](C[C@H]1CCCOC1)C1CC[NH2+]CC1 ZINC000082544751 343446875 /nfs/dbraw/zinc/44/68/75/343446875.db2.gz WXPMJPRKELCERN-LLVKDONJSA-N 2 0 212.337 1.097 20 0 BDADRP CCOCC[N@H+](CC)C[C@]1(C)CC[NH2+]C1 ZINC000082538568 343449417 /nfs/dbraw/zinc/44/94/17/343449417.db2.gz KAFQYHNJVIKBLP-GFCCVEGCSA-N 2 0 214.353 1.344 20 0 BDADRP CO[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000167126160 136368289 /nfs/dbraw/zinc/36/82/89/136368289.db2.gz ZBHIFHPBGWIZFP-GMTAPVOTSA-N 2 0 200.326 1.094 20 0 BDADRP CC(C)([NH3+])CNC[C@@H]([NH3+])c1ccccc1 ZINC000576992572 365745423 /nfs/dbraw/zinc/74/54/23/365745423.db2.gz ULTHBOMLENPXKP-LLVKDONJSA-N 2 0 207.321 1.013 20 0 BDADRP CSC[C@H]1CCC[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261542345 136374425 /nfs/dbraw/zinc/37/44/25/136374425.db2.gz GSWVJVZDUFGBSN-NEPJUHHUSA-N 2 0 228.405 1.813 20 0 BDADRP Cc1ccc([C@H](C)[NH2+]CCN2CC[C@@H](O)C2)cc1 ZINC000624226231 343515265 /nfs/dbraw/zinc/51/52/65/343515265.db2.gz NVOAKOKVDMCFAP-DZGCQCFKSA-N 2 0 248.370 1.712 20 0 BDADRP C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000580580368 365790528 /nfs/dbraw/zinc/79/05/28/365790528.db2.gz AQHIBLMTDOKWFL-YVECIDJPSA-N 2 0 242.363 1.040 20 0 BDADRP COCC[C@H](C)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429538485 537807107 /nfs/dbraw/zinc/80/71/07/537807107.db2.gz SVVJTLMQVXFJPC-STQMWFEESA-N 2 0 228.380 1.828 20 0 BDADRP C[C@H]([NH3+])CCC(=O)Nc1ccc(C[NH3+])cc1 ZINC000577061599 365798910 /nfs/dbraw/zinc/79/89/10/365798910.db2.gz YSILYVZRQCUIIT-VIFPVBQESA-N 2 0 221.304 1.211 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH+]1C)[C@@H]1CCC[C@H]1O ZINC000511606980 529930540 /nfs/dbraw/zinc/93/05/40/529930540.db2.gz QRINWZYJSIESRI-YNEHKIRRSA-N 2 0 226.364 1.316 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C1 ZINC000634732761 344107423 /nfs/dbraw/zinc/10/74/23/344107423.db2.gz OHMRNOFZLNSXAX-OLZOCXBDSA-N 3 0 239.407 1.354 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000634733162 344108474 /nfs/dbraw/zinc/10/84/74/344108474.db2.gz YPEJXUYWBAJJLF-GFCCVEGCSA-N 2 0 226.364 1.533 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733777 344113996 /nfs/dbraw/zinc/11/39/96/344113996.db2.gz NOEDNZLXFLKUMX-QWHCGFSZSA-N 2 0 241.423 1.728 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H](NCCC[NH+]2CCCC2)C1 ZINC000086402317 344216796 /nfs/dbraw/zinc/21/67/96/344216796.db2.gz GEUWIUCEQLKVGE-CHWSQXEVSA-N 3 0 225.380 1.332 20 0 BDADRP COC[C@H](C)[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000131865317 344237311 /nfs/dbraw/zinc/23/73/11/344237311.db2.gz SVFJZINEDADOHW-GARJFASQSA-N 2 0 212.337 1.236 20 0 BDADRP C[C@H]([NH3+])CCC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634761595 344252351 /nfs/dbraw/zinc/25/23/51/344252351.db2.gz FJUZHSUZSYLYRM-WDEREUQCSA-N 2 0 241.379 1.008 20 0 BDADRP CSCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000084216898 344255117 /nfs/dbraw/zinc/25/51/17/344255117.db2.gz OVBLCCPUNLJXQZ-ZJUUUORDSA-N 2 0 202.367 1.457 20 0 BDADRP CC[C@H](C)[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000518778665 259374921 /nfs/dbraw/zinc/37/49/21/259374921.db2.gz OTOARMHAAZKSRH-LBPRGKRZSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H]2CCCC[C@H]2O)C1 ZINC000328453349 344298521 /nfs/dbraw/zinc/29/85/21/344298521.db2.gz DQZDSIFVFSQFJH-QNWHQSFQSA-N 2 0 226.364 1.207 20 0 BDADRP Cc1n[nH]cc1CCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000093215723 344312516 /nfs/dbraw/zinc/31/25/16/344312516.db2.gz PMHQSYSVHCCGRZ-QWHCGFSZSA-N 2 0 236.363 1.510 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCOc2ccccc2)C1 ZINC000093215583 344312655 /nfs/dbraw/zinc/31/26/55/344312655.db2.gz NGUVXYXLLWIWLO-OLZOCXBDSA-N 2 0 234.343 1.925 20 0 BDADRP CC[NH+]1CCC([NH2+]CC(C)(C)OC)CC1 ZINC000133392636 344317617 /nfs/dbraw/zinc/31/76/17/344317617.db2.gz YCEWJNWUCCIAQC-UHFFFAOYSA-N 2 0 214.353 1.485 20 0 BDADRP c1c[nH]c(N2CC[NH+](C3CCCC3)CC2)n1 ZINC000386387106 537845060 /nfs/dbraw/zinc/84/50/60/537845060.db2.gz FBHRXKBWXKDMNC-UHFFFAOYSA-N 2 0 220.320 1.474 20 0 BDADRP C[C@H]1OCC[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000584268101 344372723 /nfs/dbraw/zinc/37/27/23/344372723.db2.gz JVECTAQGGBZQHM-BXUZGUMPSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)C1CC[NH+](C)CC1 ZINC000385292496 344388802 /nfs/dbraw/zinc/38/88/02/344388802.db2.gz ZXAUDAMKNHFWES-BYNQJWBRSA-N 2 0 240.391 1.872 20 0 BDADRP CC[NH+]1CCC(N(C)CCC[NH2+]C)CC1 ZINC000042681351 344461871 /nfs/dbraw/zinc/46/18/71/344461871.db2.gz PESNLBPTSFZPKF-UHFFFAOYSA-N 2 0 213.369 1.012 20 0 BDADRP C[NH2+]C[C@@H]1CCCN(CC[NH2+]C(C)(C)C)C1 ZINC000414660612 529988393 /nfs/dbraw/zinc/98/83/93/529988393.db2.gz VNWDHNFKEWAOLU-LBPRGKRZSA-N 2 0 227.396 1.306 20 0 BDADRP COC(=O)CCC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152449875 344568608 /nfs/dbraw/zinc/56/86/08/344568608.db2.gz SAEBZPZWYBKAIS-GFCCVEGCSA-N 2 0 242.363 1.213 20 0 BDADRP C[C@@H]([NH2+]CCCCn1ccnc1)[C@@H]1CCC[NH2+]1 ZINC000400419462 344655644 /nfs/dbraw/zinc/65/56/44/344655644.db2.gz WIFXBCOWYNGJHI-OLZOCXBDSA-N 2 0 236.363 1.393 20 0 BDADRP COCC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000081708745 344667413 /nfs/dbraw/zinc/66/74/13/344667413.db2.gz PMDNEIJJCFNLPH-ODWCKFRGSA-N 2 0 226.364 1.626 20 0 BDADRP C[C@](O)(C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)C(F)(F)F ZINC000570942296 323076234 /nfs/dbraw/zinc/07/62/34/323076234.db2.gz PQIIRSKLPHGSGP-HLTSFMKQSA-N 2 0 240.269 1.159 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CN[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000300408972 530057983 /nfs/dbraw/zinc/05/79/83/530057983.db2.gz WMABSQNIQCQQLA-BFHYXJOUSA-N 2 0 237.391 1.297 20 0 BDADRP C[NH2+]CC1CC[NH+](Cc2cnccc2OC)CC1 ZINC000385535323 344987788 /nfs/dbraw/zinc/98/77/88/344987788.db2.gz SFSADBXDMMWROG-UHFFFAOYSA-N 2 0 249.358 1.522 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@H]1CCCOC1 ZINC000335646057 534986040 /nfs/dbraw/zinc/98/60/40/534986040.db2.gz KEBGTYOMYZSIKO-GHMZBOCLSA-N 2 0 212.337 1.143 20 0 BDADRP C([NH2+]C1CCN(CC23CC(C2)C[NH2+]3)CC1)C1CC1 ZINC000634990774 345173260 /nfs/dbraw/zinc/17/32/60/345173260.db2.gz BSBIFBYZZBIQJE-UHFFFAOYSA-N 2 0 249.402 1.202 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC[NH+]1C ZINC000156554820 345175753 /nfs/dbraw/zinc/17/57/53/345175753.db2.gz JDNMREHDHUXTKN-AAVRWANBSA-N 3 0 239.407 1.541 20 0 BDADRP C(N1CCC[C@@H]([NH+]2CCCC2)C1)C12CC(C1)C[NH2+]2 ZINC000634992268 345180286 /nfs/dbraw/zinc/18/02/86/345180286.db2.gz JOZLXRIWVDBUBM-SHARSMKWSA-N 2 0 249.402 1.299 20 0 BDADRP CC(C)[C@@H](C[NH3+])C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000634995077 345183297 /nfs/dbraw/zinc/18/32/97/345183297.db2.gz UNCQMEKSTMJIAW-KBPBESRZSA-N 3 0 239.407 1.293 20 0 BDADRP CC(C)[C@@H](C[NH3+])CNCC1([NH3+])CCCCCC1 ZINC000634995208 345183694 /nfs/dbraw/zinc/18/36/94/345183694.db2.gz YEFLXCUVWYJORQ-ZDUSSCGKSA-N 2 0 241.423 1.859 20 0 BDADRP CC(C)[C@H](C[NH3+])C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000634996751 345193364 /nfs/dbraw/zinc/19/33/64/345193364.db2.gz TYRGWOOAYRXPHQ-CQSZACIVSA-N 3 0 235.375 1.466 20 0 BDADRP Cc1n[nH]c(C)c1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000634998190 345197512 /nfs/dbraw/zinc/19/75/12/345197512.db2.gz CBHBPTDMESUQOY-GZMMTYOYSA-N 2 0 222.336 1.053 20 0 BDADRP Cc1nn(C)c(C)c1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634999131 345199051 /nfs/dbraw/zinc/19/90/51/345199051.db2.gz QLGUGBDWRMXHNN-BXKDBHETSA-N 2 0 236.363 1.064 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C2CCC(C[NH3+])CC2)[C@H](C)O1 ZINC000635001667 345201192 /nfs/dbraw/zinc/20/11/92/345201192.db2.gz XUQYJLJDFZSVTG-QUANKSPYSA-N 2 0 226.364 1.659 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CC[NH2+]C2)[C@@H](C)O1 ZINC000635001722 345202075 /nfs/dbraw/zinc/20/20/75/345202075.db2.gz ZBLWCPGKDKVUOH-WISYIIOYSA-N 2 0 212.337 1.142 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1cnccn1 ZINC000635007277 345202605 /nfs/dbraw/zinc/20/26/05/345202605.db2.gz OVQVJQQDSCFNRZ-SRVKXCTJSA-N 2 0 234.347 1.645 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000635001248 345203003 /nfs/dbraw/zinc/20/30/03/345203003.db2.gz LPKMFEICUAIOIH-WISYIIOYSA-N 2 0 214.353 1.515 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635004848 345208762 /nfs/dbraw/zinc/20/87/62/345208762.db2.gz QKBAMRNUPUHFTL-RYUDHWBXSA-N 3 0 247.386 1.548 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC(C)(C)F ZINC000635005565 345210108 /nfs/dbraw/zinc/21/01/08/345210108.db2.gz VDHXWKFOCROORL-GUBZILKMSA-N 2 0 218.316 1.076 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CCOC1 ZINC000635006147 345210499 /nfs/dbraw/zinc/21/04/99/345210499.db2.gz LHIUXRMAALAZBD-RVMXOQNASA-N 2 0 226.364 1.519 20 0 BDADRP COC[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)C1CC1 ZINC000635006482 345210531 /nfs/dbraw/zinc/21/05/31/345210531.db2.gz MSIFFSPCNJETDC-DRZSPHRISA-N 2 0 226.364 1.519 20 0 BDADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@H]2CCCSC2)CC1 ZINC000635006862 345211411 /nfs/dbraw/zinc/21/14/11/345211411.db2.gz UBOBBPUVYGCTKV-SRVKXCTJSA-N 2 0 228.405 1.989 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635009656 345211948 /nfs/dbraw/zinc/21/19/48/345211948.db2.gz YTIJOHNHSBYCLX-JHJVBQTASA-N 2 0 239.407 1.352 20 0 BDADRP C([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCOC1 ZINC000158634823 345358036 /nfs/dbraw/zinc/35/80/36/345358036.db2.gz OQBXLCQPYUAFCY-YNEHKIRRSA-N 2 0 224.348 1.239 20 0 BDADRP CC(C)OCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158748904 345373879 /nfs/dbraw/zinc/37/38/79/345373879.db2.gz WRYCUMFPGAYTPL-ZIAGYGMSSA-N 2 0 240.391 1.828 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(O)CCC1 ZINC000133421874 345374381 /nfs/dbraw/zinc/37/43/81/345374381.db2.gz VNLVVVXPBOSUAR-WOPDTQHZSA-N 2 0 226.364 1.220 20 0 BDADRP COc1ccccc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000563135445 323094555 /nfs/dbraw/zinc/09/45/55/323094555.db2.gz MFKTTXBXPCKERG-WDEREUQCSA-N 2 0 222.332 1.911 20 0 BDADRP COc1ccccc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000563135442 323094628 /nfs/dbraw/zinc/09/46/28/323094628.db2.gz MFKTTXBXPCKERG-GHMZBOCLSA-N 2 0 222.332 1.911 20 0 BDADRP CC(C)C[C@@H](CNC(=O)[C@@H](C)[NH+](C)C)[NH+](C)C ZINC000635557237 345714139 /nfs/dbraw/zinc/71/41/39/345714139.db2.gz XHVMKKZSRRPSKF-NEPJUHHUSA-N 2 0 243.395 1.029 20 0 BDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)CC[C@H](C)[NH3+] ZINC000248836732 345717524 /nfs/dbraw/zinc/71/75/24/345717524.db2.gz DFIAOTSRUDMDDJ-RYUDHWBXSA-N 2 0 241.379 1.104 20 0 BDADRP CSCCN1CCC[C@H]([NH2+]C(C)C)C1 ZINC000070585493 345788708 /nfs/dbraw/zinc/78/87/08/345788708.db2.gz QCDQPRRQOWFPBV-NSHDSACASA-N 2 0 216.394 1.812 20 0 BDADRP CSC1(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000307605387 345845777 /nfs/dbraw/zinc/84/57/77/345845777.db2.gz YIEHJLMKKVJUCJ-UWVGGRQHSA-N 2 0 212.362 1.033 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+][C@@H](CO)c2ccccc2)C1 ZINC000093216062 345857880 /nfs/dbraw/zinc/85/78/80/345857880.db2.gz RNWAUZMOAOMUHV-IHRRRGAJSA-N 2 0 234.343 1.580 20 0 BDADRP CC(C)OCC[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397392269 323108165 /nfs/dbraw/zinc/10/81/65/323108165.db2.gz NZGPOMKLSBCKGI-XQQFMLRXSA-N 2 0 228.380 1.717 20 0 BDADRP C[C@@H]([NH3+])C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000037901338 346254735 /nfs/dbraw/zinc/25/47/35/346254735.db2.gz QVDOGJPTCIERHN-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP C[N@H+](CCCNC(=O)CC[NH3+])C1CCCCC1 ZINC000037901330 346255831 /nfs/dbraw/zinc/25/58/31/346255831.db2.gz ZCFDBOSKEKTRDA-UHFFFAOYSA-N 2 0 241.379 1.106 20 0 BDADRP Cc1cccc(C)c1CN1CC[C@H]([NH3+])C1 ZINC000122156506 179035390 /nfs/dbraw/zinc/03/53/90/179035390.db2.gz XEDKZRGSVYYFOR-LBPRGKRZSA-N 2 0 204.317 1.836 20 0 BDADRP C[N@H+](CCCC[NH2+]Cc1ccncc1N)C1CC1 ZINC000641760018 362691510 /nfs/dbraw/zinc/69/15/10/362691510.db2.gz LNGSUFJVLRYRAN-UHFFFAOYSA-N 2 0 248.374 1.628 20 0 BDADRP Cc1cn2ccc(NC(=O)[C@@H](C)N(C)C)cc2n1 ZINC000636243989 346367418 /nfs/dbraw/zinc/36/74/18/346367418.db2.gz LLEMFKBSPTVSCH-SNVBAGLBSA-N 2 0 246.314 1.531 20 0 BDADRP CC[C@H](C)C[NH2+][C@@H](CO)CC[NH+](CC)CC ZINC000641773665 362712780 /nfs/dbraw/zinc/71/27/80/362712780.db2.gz ZAXWPYRJICBPDS-QWHCGFSZSA-N 2 0 230.396 1.715 20 0 BDADRP COC1(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)CCCC1 ZINC000381604582 346416489 /nfs/dbraw/zinc/41/64/89/346416489.db2.gz PMZFXKROUKRXCD-NWDGAFQWSA-N 2 0 226.364 1.533 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000300362961 346431995 /nfs/dbraw/zinc/43/19/95/346431995.db2.gz ROZWIIOHVIXSBP-QJPTWQEYSA-N 2 0 212.337 1.273 20 0 BDADRP Cn1cncc1CC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000641798567 362744359 /nfs/dbraw/zinc/74/43/59/362744359.db2.gz JQPJKDDJCPRHMM-UHFFFAOYSA-N 2 0 248.374 1.038 20 0 BDADRP c1n[nH]cc1CC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000641799718 362747926 /nfs/dbraw/zinc/74/79/26/362747926.db2.gz PVYJJLDEDBEYJP-ZDUSSCGKSA-N 2 0 234.347 1.028 20 0 BDADRP c1n[nH]cc1CC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000641800203 362749836 /nfs/dbraw/zinc/74/98/36/362749836.db2.gz YUEAFGIEGVGDTP-AWEZNQCLSA-N 2 0 248.374 1.274 20 0 BDADRP Cc1nccn1CCC[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641803938 362761862 /nfs/dbraw/zinc/76/18/62/362761862.db2.gz WEZJPDOKIJIBME-NEPJUHHUSA-N 2 0 236.363 1.297 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H](F)C1)C1C[NH2+]C1 ZINC000580075688 346513391 /nfs/dbraw/zinc/51/33/91/346513391.db2.gz QCQHKFJBBANRHZ-JMJZKYOTSA-N 2 0 200.301 1.465 20 0 BDADRP Cc1ncccc1C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641801478 362754978 /nfs/dbraw/zinc/75/49/78/362754978.db2.gz RBOXPXFDNMGOEH-NWDGAFQWSA-N 2 0 219.332 1.605 20 0 BDADRP CN(CC[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)c1ccccc1 ZINC000641801843 362758272 /nfs/dbraw/zinc/75/82/72/362758272.db2.gz FRFFKYJQMZHHTD-UONOGXRCSA-N 2 0 247.386 1.838 20 0 BDADRP CSC1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000300897336 346526483 /nfs/dbraw/zinc/52/64/83/346526483.db2.gz VJYCRJZKXBSDRH-GFCCVEGCSA-N 2 0 228.405 1.813 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[C@@H](O)C2)C1 ZINC000300377538 346530891 /nfs/dbraw/zinc/53/08/91/346530891.db2.gz QZTKOVMFJQZVJE-QNWHQSFQSA-N 2 0 226.364 1.397 20 0 BDADRP Cc1noc([C@@H](C)[N@H+](C)CC2CC[NH2+]CC2)n1 ZINC000563550112 323129927 /nfs/dbraw/zinc/12/99/27/323129927.db2.gz XTIUNZGHMFLIOK-SECBINFHSA-N 2 0 238.335 1.370 20 0 BDADRP Cc1noc([C@H](C)[N@H+](C)CC2CC[NH2+]CC2)n1 ZINC000563550113 323129986 /nfs/dbraw/zinc/12/99/86/323129986.db2.gz XTIUNZGHMFLIOK-VIFPVBQESA-N 2 0 238.335 1.370 20 0 BDADRP CC(C)(C)[NH2+]CCN1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622004198 370653703 /nfs/dbraw/zinc/65/37/03/370653703.db2.gz LTJHXPJBJMGORF-YPMHNXCESA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc2c[nH]nc21 ZINC000580326336 347131574 /nfs/dbraw/zinc/13/15/74/347131574.db2.gz OJPBKWLOLSPTJG-ZJUUUORDSA-N 2 0 232.331 1.778 20 0 BDADRP [NH3+]CCC[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000038954466 347171249 /nfs/dbraw/zinc/17/12/49/347171249.db2.gz WUSQJYSFBRWJIE-UHFFFAOYSA-N 2 0 246.354 1.857 20 0 BDADRP CO[C@@H]([C@H](C)[NH2+][C@@H](C)CCCC[NH3+])C1CC1 ZINC000388230107 347251297 /nfs/dbraw/zinc/25/12/97/347251297.db2.gz MAGZZGRSRLITPY-GVXVVHGQSA-N 2 0 228.380 1.907 20 0 BDADRP C[N@H+](C[C@@H]1CCCCO1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250491463 362806401 /nfs/dbraw/zinc/80/64/01/362806401.db2.gz YDOBYDVGFJQPKW-PIGZVRMJSA-N 2 0 238.375 1.770 20 0 BDADRP CCCCOCC[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000300820810 347261364 /nfs/dbraw/zinc/26/13/64/347261364.db2.gz IRMNLSSPKBJQRI-GFCCVEGCSA-N 2 0 228.380 1.781 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCCO[C@@H]2CCOC2)C1 ZINC000581499794 347338987 /nfs/dbraw/zinc/33/89/87/347338987.db2.gz SGWDEAUVURLXSN-JHJVBQTASA-N 2 0 242.363 1.042 20 0 BDADRP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC000082366158 347361487 /nfs/dbraw/zinc/36/14/87/347361487.db2.gz MZGSSKDKZXXLQK-CYBMUJFWSA-N 2 0 219.332 1.785 20 0 BDADRP C[C@H]1CC[C@@H](C[NH+]2CCC(CC[NH3+])CC2)O1 ZINC000149768467 347514112 /nfs/dbraw/zinc/51/41/12/347514112.db2.gz GVVHWVVORQGELP-AAEUAGOBSA-N 2 0 226.364 1.615 20 0 BDADRP COC(=O)C(C)(C)CC[NH+]1CCC(C)([NH3+])CC1 ZINC000592431675 347778581 /nfs/dbraw/zinc/77/85/81/347778581.db2.gz XQRHHPPFTTYTGX-UHFFFAOYSA-N 2 0 242.363 1.389 20 0 BDADRP Cc1ccccc1NC(=O)CN1CC[C@@H](C[NH3+])C1 ZINC000050247096 179299513 /nfs/dbraw/zinc/29/95/13/179299513.db2.gz YAXJPWVMCMPEEN-LBPRGKRZSA-N 2 0 247.342 1.214 20 0 BDADRP COCC1CCC([NH2+]CC2CC[NH2+]CC2)CC1 ZINC000577363068 365930703 /nfs/dbraw/zinc/93/07/03/365930703.db2.gz LMEXBYOUUJDHLG-UHFFFAOYSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000577395159 365943950 /nfs/dbraw/zinc/94/39/50/365943950.db2.gz KIGGNTJHYSSIAM-RWMBFGLXSA-N 2 0 225.380 1.045 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)O1 ZINC000251694543 362899618 /nfs/dbraw/zinc/89/96/18/362899618.db2.gz HJFQXFQBAMJLED-WISYIIOYSA-N 2 0 212.337 1.223 20 0 BDADRP C/C=C\C[C@H](CO)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623494908 362918333 /nfs/dbraw/zinc/91/83/33/362918333.db2.gz IUXLYTKBJLYMKI-AGFGORMFSA-N 2 0 240.391 1.776 20 0 BDADRP CCOC(=O)CCCCC[N@H+](C)CC(C)(C)[NH3+] ZINC000595899314 348394706 /nfs/dbraw/zinc/39/47/06/348394706.db2.gz RRXBRHARZZBGIJ-UHFFFAOYSA-N 2 0 244.379 1.779 20 0 BDADRP C[C@H]([NH3+])CCC(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000070315878 349993510 /nfs/dbraw/zinc/99/35/10/349993510.db2.gz BNLVHOVLSMLQDV-NSHDSACASA-N 2 0 249.358 1.814 20 0 BDADRP CSCC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000596653050 348607344 /nfs/dbraw/zinc/60/73/44/348607344.db2.gz YZXRTFQVUOTSBZ-SDDRHHMPSA-N 2 0 244.404 1.096 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H]2CO[C@H](C)C2)CC1 ZINC000401891841 348607739 /nfs/dbraw/zinc/60/77/39/348607739.db2.gz ONNOFHFXSGYRPT-YPMHNXCESA-N 2 0 226.364 1.628 20 0 BDADRP C[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000494645815 348624896 /nfs/dbraw/zinc/62/48/96/348624896.db2.gz DLCYIJBACVHSGX-YPMHNXCESA-N 2 0 249.358 1.320 20 0 BDADRP C[C@@H]1CSC[C@H]1[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000308799831 348642609 /nfs/dbraw/zinc/64/26/09/348642609.db2.gz ADKTYLHLXNUKQC-IJLUTSLNSA-N 2 0 228.405 1.669 20 0 BDADRP CC[NH+]1CCC(C[NH2+]Cc2cncs2)CC1 ZINC000054788388 349079272 /nfs/dbraw/zinc/07/92/72/349079272.db2.gz XEEVTHTTXNCZBS-UHFFFAOYSA-N 2 0 239.388 1.965 20 0 BDADRP COCCC1CC[NH+]([C@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000530209405 323209783 /nfs/dbraw/zinc/20/97/83/323209783.db2.gz HENUZDRJAUKZOO-TZMCWYRMSA-N 2 0 240.391 1.733 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000250627785 349177240 /nfs/dbraw/zinc/17/72/40/349177240.db2.gz QNHGDAWSKDRIJP-MCIONIFRSA-N 3 0 239.407 1.435 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](C)[C@H]1CO ZINC000249103386 349155340 /nfs/dbraw/zinc/15/53/40/349155340.db2.gz VADRAAFRJVPMJX-CHWSQXEVSA-N 2 0 228.380 1.421 20 0 BDADRP [NH3+]CCC1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000015781976 349169332 /nfs/dbraw/zinc/16/93/32/349169332.db2.gz ZITRMKTYSSIAMA-UHFFFAOYSA-N 3 0 239.407 1.437 20 0 BDADRP CC[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)CC)CC1 ZINC000383641612 349228867 /nfs/dbraw/zinc/22/88/67/349228867.db2.gz ZXUITKBGTRERJP-KBPBESRZSA-N 2 0 242.407 1.811 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C[C@H](C)O1 ZINC000252107202 349195975 /nfs/dbraw/zinc/19/59/75/349195975.db2.gz JBNHFINFLAHDBS-CRWXNKLISA-N 2 0 240.391 1.874 20 0 BDADRP COCCN(C)CC[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000252143261 349196852 /nfs/dbraw/zinc/19/68/52/349196852.db2.gz NNKQVJMPMSMVQQ-CLLJXQQHSA-N 2 0 244.379 1.110 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+][C@H](C)CC[NH+](C)C)C1 ZINC000251148726 538037225 /nfs/dbraw/zinc/03/72/25/538037225.db2.gz AAYGXWIXAMYANO-FRRDWIJNSA-N 2 0 228.380 1.874 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+]CCC[NH3+])C12CCCC2 ZINC000082945705 349350661 /nfs/dbraw/zinc/35/06/61/349350661.db2.gz RIJRECGOLWECED-NEPJUHHUSA-N 2 0 226.364 1.663 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2cnccn2)CC1 ZINC000070479539 350014115 /nfs/dbraw/zinc/01/41/15/350014115.db2.gz OSISIYXGDHSWOV-GFCCVEGCSA-N 2 0 248.374 1.859 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CCc2cn[nH]c2)CC1(C)C ZINC000623527928 362948160 /nfs/dbraw/zinc/94/81/60/362948160.db2.gz OJCICGLPSVUNQX-LBPRGKRZSA-N 2 0 236.363 1.415 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000302378304 350083439 /nfs/dbraw/zinc/08/34/39/350083439.db2.gz SOHGIIYXDXBFGE-AGIUHOORSA-N 2 0 240.391 1.515 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000131403356 191011653 /nfs/dbraw/zinc/01/16/53/191011653.db2.gz FOSBCYOIAIXDRD-QWHCGFSZSA-N 2 0 228.380 1.733 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H]2CCOC2)CC1 ZINC000070968761 350077074 /nfs/dbraw/zinc/07/70/74/350077074.db2.gz XMOAJZQHUACPDY-LBPRGKRZSA-N 2 0 212.337 1.097 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCCC[C@H]1O ZINC000302378306 350083813 /nfs/dbraw/zinc/08/38/13/350083813.db2.gz SOHGIIYXDXBFGE-UPJWGTAASA-N 2 0 240.391 1.515 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCCOC1)[C@@H]1CCC[NH2+]1 ZINC000422710449 192437224 /nfs/dbraw/zinc/43/72/24/192437224.db2.gz FTCKCYZVRBQGLB-UTUOFQBUSA-N 2 0 212.337 1.143 20 0 BDADRP COC[C@H]([NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1)C(C)C ZINC000132018602 191023141 /nfs/dbraw/zinc/02/31/41/191023141.db2.gz RNRDQQOJGQGWJS-BZPMIXESSA-N 2 0 240.391 1.872 20 0 BDADRP CC(C)[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)C(C)(C)O ZINC000357799202 191023741 /nfs/dbraw/zinc/02/37/41/191023741.db2.gz IWUMLCXWDMCLMB-UPJWGTAASA-N 2 0 242.407 1.854 20 0 BDADRP CC[NH+](CC)CCCN[C@@H](C)C[C@@H](C)[NH3+] ZINC000422730173 192446059 /nfs/dbraw/zinc/44/60/59/192446059.db2.gz LSJXDBMHAIJMDH-NEPJUHHUSA-N 2 0 215.385 1.434 20 0 BDADRP CCOCCCC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422723766 192442632 /nfs/dbraw/zinc/44/26/32/192442632.db2.gz SIYTTXGMMMEFGS-QWHCGFSZSA-N 2 0 228.380 1.781 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CC(C)(C)CO)CC[N@@H+]1C ZINC000128103672 490346803 /nfs/dbraw/zinc/34/68/03/490346803.db2.gz DDLJTLGMHUWVTI-QWRGUYRKSA-N 2 0 214.353 1.077 20 0 BDADRP CC(C)[C@@](C)(O)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000133524483 191040958 /nfs/dbraw/zinc/04/09/58/191040958.db2.gz PTJYATGIGQCPLR-AGIUHOORSA-N 2 0 228.380 1.466 20 0 BDADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C[C@H](C)CC ZINC000133581780 191041030 /nfs/dbraw/zinc/04/10/30/191041030.db2.gz KOZJCTDEXBAADN-CHWSQXEVSA-N 2 0 230.396 1.979 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]Cc2ccc(=O)[nH]c2)CC1 ZINC000392891689 350168334 /nfs/dbraw/zinc/16/83/34/350168334.db2.gz JUUOCDOFZDUQRM-UHFFFAOYSA-N 2 0 249.358 1.750 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCCSC1 ZINC000384131485 350218344 /nfs/dbraw/zinc/21/83/44/350218344.db2.gz LIRLUJLYJUQWCN-VXGBXAGGSA-N 2 0 246.420 1.473 20 0 BDADRP C(C[NH2+][C@H]1CCCOCC1)C[NH+]1CCCC1 ZINC000083424638 350204275 /nfs/dbraw/zinc/20/42/75/350204275.db2.gz UNVFMJOVBIHKLI-ZDUSSCGKSA-N 2 0 226.364 1.631 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000221909644 350225859 /nfs/dbraw/zinc/22/58/59/350225859.db2.gz CQUOTEQPPQICLN-UONOGXRCSA-N 2 0 241.423 1.789 20 0 BDADRP CCCCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000422746796 192450791 /nfs/dbraw/zinc/45/07/91/192450791.db2.gz OHEBRSFNKYRBIC-IJLUTSLNSA-N 2 0 214.353 1.519 20 0 BDADRP CC[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C(C)(C)O ZINC000623534056 362951844 /nfs/dbraw/zinc/95/18/44/362951844.db2.gz VRMCXOWWFYSXEE-NWDGAFQWSA-N 2 0 242.407 1.998 20 0 BDADRP CC[NH+]1CCC(NC2CC[NH+](CC)CC2)CC1 ZINC000037977185 350297783 /nfs/dbraw/zinc/29/77/83/350297783.db2.gz QUGDNJXSHDCYJD-UHFFFAOYSA-N 2 0 239.407 1.545 20 0 BDADRP C[C@H](CCc1ccco1)[NH2+]C1CC[NH2+]CC1 ZINC000038040723 350303036 /nfs/dbraw/zinc/30/30/36/350303036.db2.gz PJIQOZFBDDZXKN-LLVKDONJSA-N 2 0 222.332 1.942 20 0 BDADRP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1cnn(C)c1 ZINC000422783603 192465241 /nfs/dbraw/zinc/46/52/41/192465241.db2.gz NCTULFGZYOFNJK-ZBOXLXRLSA-N 2 0 236.363 1.588 20 0 BDADRP CCOc1cccc(CN2CC[C@H]([NH3+])C2)c1 ZINC000050228036 350315506 /nfs/dbraw/zinc/31/55/06/350315506.db2.gz BLCXRAZEXPLGML-LBPRGKRZSA-N 2 0 220.316 1.618 20 0 BDADRP C[NH+](C)CCCC[NH2+]C[C@H]1CCSC1 ZINC000224409620 350321105 /nfs/dbraw/zinc/32/11/05/350321105.db2.gz IIBVPQIHHRESQR-LLVKDONJSA-N 2 0 216.394 1.671 20 0 BDADRP c1c([C@@H]2CCCC[NH2+]2)nnn1[C@H]1CCC[NH2+]C1 ZINC000725263150 538088920 /nfs/dbraw/zinc/08/89/20/538088920.db2.gz RBCCAPUWGXREER-QWRGUYRKSA-N 2 0 235.335 1.017 20 0 BDADRP Cc1nccnc1[C@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000275818107 180282785 /nfs/dbraw/zinc/28/27/85/180282785.db2.gz GCSMTMCUBPDSBK-LBPRGKRZSA-N 2 0 246.358 1.698 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2COc3ccccc3C2)C1 ZINC000328144063 350376285 /nfs/dbraw/zinc/37/62/85/350376285.db2.gz RCVBJMBTLVVSTK-HZSPNIEDSA-N 2 0 246.354 1.850 20 0 BDADRP C[NH2+]CCC[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000328166087 350376975 /nfs/dbraw/zinc/37/69/75/350376975.db2.gz IXJMVKMMLOXKKG-RYUDHWBXSA-N 2 0 214.353 1.079 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](C)c2ccccn2)C1 ZINC000226537170 490521701 /nfs/dbraw/zinc/52/17/01/490521701.db2.gz JEGXPSBYVOLSBK-SDDRHHMPSA-N 2 0 219.332 1.812 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2COCC2(C)C)CC1(C)C ZINC000623541684 362960032 /nfs/dbraw/zinc/96/00/32/362960032.db2.gz TWFZMRDYPGWJTN-VXGBXAGGSA-N 2 0 240.391 1.874 20 0 BDADRP CCc1cc(C[NH2+]C2CCC(C[NH3+])CC2)on1 ZINC000577482225 365963613 /nfs/dbraw/zinc/96/36/13/365963613.db2.gz LFNRAVGHUZYWNL-UHFFFAOYSA-N 2 0 237.347 1.844 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCCSC1 ZINC000061589229 350518610 /nfs/dbraw/zinc/51/86/10/350518610.db2.gz KDIZTDVAHBYBPK-GHMZBOCLSA-N 2 0 216.394 1.812 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2O)CC1(C)C ZINC000623545235 362964883 /nfs/dbraw/zinc/96/48/83/362964883.db2.gz CBZGSMRXIRICSH-QJPTWQEYSA-N 2 0 226.364 1.362 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CSC1(C)C ZINC000393857336 259415031 /nfs/dbraw/zinc/41/50/31/259415031.db2.gz VVPQYIHFFUIACN-DTWKUNHWSA-N 2 0 202.367 1.597 20 0 BDADRP CC[C@@H](COC)[NH2+][C@@H](C)CC[NH+](C)C ZINC000070624281 350554536 /nfs/dbraw/zinc/55/45/36/350554536.db2.gz MYWSWTSIDNRDTR-QWRGUYRKSA-N 2 0 202.342 1.341 20 0 BDADRP C(C1CC1)[N@H+]1C[C@@H]2[C@H]3CCCC[NH+]3C[C@@H]2C1 ZINC000361303307 191117745 /nfs/dbraw/zinc/11/77/45/191117745.db2.gz HSSLLSURFGAWNQ-MELADBBJSA-N 2 0 220.360 1.813 20 0 BDADRP C[C@@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)C[C@H](C)O ZINC000422791200 192470639 /nfs/dbraw/zinc/47/06/39/192470639.db2.gz VQFJWXLPVWJUJJ-NOOOWODRSA-N 2 0 214.353 1.124 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CCCCO2)CC[C@@H]1[NH3+] ZINC000251929355 362987639 /nfs/dbraw/zinc/98/76/39/362987639.db2.gz YPLLHDHUWPWLPF-UTUOFQBUSA-N 2 0 212.337 1.225 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H]2CC[C@H](C)O2)CC[C@H]1[NH3+] ZINC000251865289 350905816 /nfs/dbraw/zinc/90/58/16/350905816.db2.gz TZBXVQJDUAHLEG-QNWHQSFQSA-N 2 0 226.364 1.613 20 0 BDADRP C(C[NH2+]C1CCOCC1)C[NH+]1CCCCC1 ZINC000036304286 358461439 /nfs/dbraw/zinc/46/14/39/358461439.db2.gz AWLLIYPRWTWOHW-UHFFFAOYSA-N 2 0 226.364 1.631 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]CC2(C)COC2)CC1 ZINC000087197314 535162545 /nfs/dbraw/zinc/16/25/45/535162545.db2.gz ZMWZQRQHGJKWGY-UHFFFAOYSA-N 2 0 226.364 1.485 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000637817358 351661754 /nfs/dbraw/zinc/66/17/54/351661754.db2.gz UQKXFLCSLOAYNQ-RYUDHWBXSA-N 2 0 241.379 1.008 20 0 BDADRP CC(C)CC[C@@H]([NH3+])C(=O)NC1CCC([NH3+])CC1 ZINC000637818781 351658919 /nfs/dbraw/zinc/65/89/19/351658919.db2.gz FPAOWIUGJVJHPZ-HTAVTVPLSA-N 2 0 241.379 1.136 20 0 BDADRP C[C@H](C(=O)Nc1cccc2c1CC[NH2+]C2)[NH+](C)C ZINC000637842203 351699122 /nfs/dbraw/zinc/69/91/22/351699122.db2.gz YJRWAMMBNCMICB-SNVBAGLBSA-N 2 0 247.342 1.221 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000637844415 351700075 /nfs/dbraw/zinc/70/00/75/351700075.db2.gz NNNBNVWUSGLLMT-NEPJUHHUSA-N 2 0 243.395 1.240 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)[C@H]([NH3+])CCC(C)C ZINC000637858486 351720239 /nfs/dbraw/zinc/72/02/39/351720239.db2.gz FKYBLXWFCJMJBA-LLVKDONJSA-N 2 0 243.395 1.384 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])CCC(C)C ZINC000637867599 351731328 /nfs/dbraw/zinc/73/13/28/351731328.db2.gz VUMAHSJMVMMIGU-NEPJUHHUSA-N 2 0 243.395 1.384 20 0 BDADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000414792934 351773159 /nfs/dbraw/zinc/77/31/59/351773159.db2.gz JJOJUVKACOCFGW-JHJVBQTASA-N 2 0 228.380 1.763 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000577839675 366078766 /nfs/dbraw/zinc/07/87/66/366078766.db2.gz GPZASPUGJLPZPT-CHWSQXEVSA-N 3 0 225.380 1.236 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)N1CCC(C)([NH3+])CC1 ZINC000638196213 352060483 /nfs/dbraw/zinc/06/04/83/352060483.db2.gz QRUVSXWNUIOXMR-NSHDSACASA-N 2 0 241.379 1.090 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)Nc1ccc(C[NH3+])cc1 ZINC000638175102 352040898 /nfs/dbraw/zinc/04/08/98/352040898.db2.gz WMHHZPZHJNWWHM-ZDUSSCGKSA-N 2 0 249.358 1.847 20 0 BDADRP CCN1CCC[C@@H]1C[NH2+]C[C@](C)(OC)C1CC1 ZINC000638280837 352116751 /nfs/dbraw/zinc/11/67/51/352116751.db2.gz KVGZGGYFIRFUCI-KGLIPLIRSA-N 2 0 240.391 1.875 20 0 BDADRP CO[C@@]1(C[NH2+]CCC[N@H+](C)C(C)C)CCOC1 ZINC000638337195 352156193 /nfs/dbraw/zinc/15/61/93/352156193.db2.gz CQTIDRWAEVRHHP-CYBMUJFWSA-N 2 0 244.379 1.112 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@](C)(OC)C2CC2)C1 ZINC000638381347 352193465 /nfs/dbraw/zinc/19/34/65/352193465.db2.gz KIWYSVDBZDIRDN-JSGCOSHPSA-N 2 0 240.391 1.733 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000638396223 352203154 /nfs/dbraw/zinc/20/31/54/352203154.db2.gz JEJDSWWIDASWKN-SRVKXCTJSA-N 2 0 241.379 1.088 20 0 BDADRP C[NH2+][C@@H](C)C(=O)N1CCCc2cccc(C[NH3+])c21 ZINC000638543338 352373955 /nfs/dbraw/zinc/37/39/55/352373955.db2.gz WIKYXKMURBTQLN-JTQLQIEISA-N 2 0 247.342 1.032 20 0 BDADRP CC(C)COCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261589649 535177642 /nfs/dbraw/zinc/17/76/42/535177642.db2.gz UAFWAMOFMXWPNY-AVGNSLFASA-N 2 0 226.364 1.328 20 0 BDADRP CCSCC[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000405468467 352381800 /nfs/dbraw/zinc/38/18/00/352381800.db2.gz KJGBJRLTEOWGKZ-RKDXNWHRSA-N 2 0 202.367 1.455 20 0 BDADRP CC[NH+]1CCC(C[NH2+]CCC[C@H]2CCO2)CC1 ZINC000638564845 352390153 /nfs/dbraw/zinc/39/01/53/352390153.db2.gz IOBQVXZUQWOUDV-AWEZNQCLSA-N 2 0 240.391 1.877 20 0 BDADRP CO[C@H](C[NH2+]CC1CC[NH+](C)CC1)CC(C)C ZINC000638567146 352393716 /nfs/dbraw/zinc/39/37/16/352393716.db2.gz XXTHIEVABVEZQD-AWEZNQCLSA-N 2 0 242.407 1.979 20 0 BDADRP C(C[NH2+][C@@H]1CCN(CC2CC2)C1)C[C@H]1CCO1 ZINC000638581598 352412728 /nfs/dbraw/zinc/41/27/28/352412728.db2.gz CJKFNWPQHBHOEE-KGLIPLIRSA-N 2 0 238.375 1.629 20 0 BDADRP C(CC[NH2+][C@@H]1CCOC1)CC[NH+]1CCCC1 ZINC000339499345 187824461 /nfs/dbraw/zinc/82/44/61/187824461.db2.gz FMSRMHDTQYLVBW-CYBMUJFWSA-N 2 0 226.364 1.631 20 0 BDADRP CC(C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000336678260 187833231 /nfs/dbraw/zinc/83/32/31/187833231.db2.gz BKTXRFLFMCNSQA-UHFFFAOYSA-N 2 0 240.391 1.972 20 0 BDADRP C[C@@H]1[C@@H](CO)CCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000412079249 191253836 /nfs/dbraw/zinc/25/38/36/191253836.db2.gz LCEIAKSSWIXSJR-MGPQQGTHSA-N 2 0 240.391 1.564 20 0 BDADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCn3cccn3)C2)C1 ZINC000334216918 352817128 /nfs/dbraw/zinc/81/71/28/352817128.db2.gz GPRKWYUIOUKXCZ-CQSZACIVSA-N 2 0 248.374 1.301 20 0 BDADRP C[N@H+]1C[C@H]2CN(Cc3cncc(F)c3)C[C@H]2C1 ZINC000334281466 352921663 /nfs/dbraw/zinc/92/16/63/352921663.db2.gz SLNURAJOUGKXEU-TXEJJXNPSA-N 2 0 235.306 1.214 20 0 BDADRP CC(C)([NH3+])CCC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638823912 353004988 /nfs/dbraw/zinc/00/49/88/353004988.db2.gz ZFVVMRQHIZVQIU-NSHDSACASA-N 2 0 241.379 1.234 20 0 BDADRP CC[C@](C)(C[N@@H+]1CC[C@H]2CCN(C)C[C@@H]21)OC ZINC000638918767 353082943 /nfs/dbraw/zinc/08/29/43/353082943.db2.gz TWFGPDYOHGTXES-HZSPNIEDSA-N 2 0 240.391 1.828 20 0 BDADRP COC1CCC([NH2+][C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000414846928 259434119 /nfs/dbraw/zinc/43/41/19/259434119.db2.gz FMBDTUCZTMSXQB-KBHBFKLGSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@]1(C)CCCC[C@@H]1O ZINC000422824853 192480916 /nfs/dbraw/zinc/48/09/16/192480916.db2.gz OSNUEOOCFVQDTC-AGIUHOORSA-N 2 0 228.380 1.645 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC[C@H]3CCCO3)C[C@H]21 ZINC000252862672 353312317 /nfs/dbraw/zinc/31/23/17/353312317.db2.gz ODVDMYXIPXTOQR-AAVRWANBSA-N 2 0 238.375 1.615 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[C@@H](C)[NH3+] ZINC000193309782 353589598 /nfs/dbraw/zinc/58/95/98/353589598.db2.gz DFIAOTSRUDMDDJ-VXGBXAGGSA-N 2 0 241.379 1.104 20 0 BDADRP Fc1ccccc1CC[NH2+]CC1CC[NH2+]CC1 ZINC000094009502 181011908 /nfs/dbraw/zinc/01/19/08/181011908.db2.gz KMBFVFDVOXIUCJ-UHFFFAOYSA-N 2 0 236.334 1.957 20 0 BDADRP CC(C)COCC[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000232663759 353752855 /nfs/dbraw/zinc/75/28/55/353752855.db2.gz KYZHLJMLJQLVOZ-OLZOCXBDSA-N 2 0 228.380 1.718 20 0 BDADRP CCC[NH+](CCC)CCCNC(=O)C(C)(C)[NH3+] ZINC000165833239 353741989 /nfs/dbraw/zinc/74/19/89/353741989.db2.gz PVOQHLCSWKDAFJ-UHFFFAOYSA-N 2 0 243.395 1.352 20 0 BDADRP C[C@@H](C[NH2+]CCN1CC[NH2+]CC1)c1ccccc1 ZINC000022937326 353809248 /nfs/dbraw/zinc/80/92/48/353809248.db2.gz GYLNXZDYQIEMFG-AWEZNQCLSA-N 2 0 247.386 1.285 20 0 BDADRP COCc1cccc(C[NH2+][C@H]2CN(C)C[C@@H]2C)c1 ZINC000343585024 353940435 /nfs/dbraw/zinc/94/04/35/353940435.db2.gz CUAUNMQRAUSSKZ-WFASDCNBSA-N 2 0 248.370 1.873 20 0 BDADRP CO[C@@](C)(C[NH2+]C[C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000393861535 353969300 /nfs/dbraw/zinc/96/93/00/353969300.db2.gz IPMZUTZLBWHWPK-JSGCOSHPSA-N 2 0 240.391 1.733 20 0 BDADRP C[N@@H+]1CCCC12CC[NH+](CC1(C)COC1)CC2 ZINC000343751142 353972588 /nfs/dbraw/zinc/97/25/88/353972588.db2.gz ONGYHJREXZNDFS-UHFFFAOYSA-N 2 0 238.375 1.583 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000449646338 201994820 /nfs/dbraw/zinc/99/48/20/201994820.db2.gz NDPMFSIHAQCFLD-GRYCIOLGSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@@H](C[NH2+]C1CCOCC1)C[NH+]1CCCCC1 ZINC000038041968 358481729 /nfs/dbraw/zinc/48/17/29/358481729.db2.gz LWTNIMAQRBBMFN-ZDUSSCGKSA-N 2 0 240.391 1.877 20 0 BDADRP CCCC[N@H+](C)C[C@H](C)N[C@H]1C[NH+](C)C[C@H]1C ZINC000343987616 354061615 /nfs/dbraw/zinc/06/16/15/354061615.db2.gz OCQQGRMSXLJXLU-RDBSUJKOSA-N 2 0 241.423 1.647 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@@H]1C[NH+](CC)C[C@@H]1C ZINC000344068297 354131295 /nfs/dbraw/zinc/13/12/95/354131295.db2.gz VGXPXKODCKVSGM-MELADBBJSA-N 2 0 241.423 1.647 20 0 BDADRP CC[C@H](C)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344029799 354092232 /nfs/dbraw/zinc/09/22/32/354092232.db2.gz AVPNDGJKVNVBHE-ZDUSSCGKSA-N 2 0 229.412 1.600 20 0 BDADRP C[C@H]1CN(C)C[C@H]1[NH2+]Cc1cccc(N(C)C)c1 ZINC000344275166 354197361 /nfs/dbraw/zinc/19/73/61/354197361.db2.gz CONGEBJRZPXQQL-SWLSCSKDSA-N 2 0 247.386 1.792 20 0 BDADRP C[C@@H]1C[C@H](C[NH+]2CCC(C[NH3+])CC2)CC[NH2+]1 ZINC000334586601 354211601 /nfs/dbraw/zinc/21/16/01/354211601.db2.gz OAOWIFAODBEJEW-DGCLKSJQSA-N 3 0 225.380 1.045 20 0 BDADRP CCN1C[C@H]([NH2+]CC2=CC[N@H+](C)CC2)[C@@H](C)C1 ZINC000344304467 354215209 /nfs/dbraw/zinc/21/52/09/354215209.db2.gz UKIMGRNKFYCXTD-JSGCOSHPSA-N 2 0 237.391 1.178 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC2=CCCOC2)[C@H](C)C1 ZINC000344511177 354291378 /nfs/dbraw/zinc/29/13/78/354291378.db2.gz IINBRCMIBPJHGX-OCCSQVGLSA-N 2 0 238.375 1.653 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000334616500 354303607 /nfs/dbraw/zinc/30/36/07/354303607.db2.gz QDCAIYHVIIFWKU-FIYWTHMPSA-N 3 0 225.380 1.363 20 0 BDADRP CC(C)CC[C@](C)(O)C[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000344435288 354272784 /nfs/dbraw/zinc/27/27/84/354272784.db2.gz CSKYMYVMPOQEPU-IHRRRGAJSA-N 2 0 242.407 1.713 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]C2CC(F)(F)C2)C1 ZINC000577963763 366148882 /nfs/dbraw/zinc/14/88/82/366148882.db2.gz MZEQJUZZKBTGNR-YUMQZZPRSA-N 2 0 204.264 1.644 20 0 BDADRP C[C@H](O)CC[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000334624979 354365148 /nfs/dbraw/zinc/36/51/48/354365148.db2.gz SEEGXRPWHTWIFS-QWHCGFSZSA-N 2 0 226.364 1.175 20 0 BDADRP CC(C)C[C@H]([NH3+])c1noc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000578069432 366217462 /nfs/dbraw/zinc/21/74/62/366217462.db2.gz CTXFHSKIFJKEHL-YIZRAAEISA-N 2 0 224.308 1.320 20 0 BDADRP CC(C)C[C@@H]([NH3+])c1noc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000578069431 366217962 /nfs/dbraw/zinc/21/79/62/366217962.db2.gz CTXFHSKIFJKEHL-HRDYMLBCSA-N 2 0 224.308 1.320 20 0 BDADRP CCc1cnc(CN2CC[C@H]([C@@H](C)[NH3+])C2)o1 ZINC000578073608 366219407 /nfs/dbraw/zinc/21/94/07/366219407.db2.gz RZVWMKAFYBRBAE-ZJUUUORDSA-N 2 0 223.320 1.406 20 0 BDADRP CC(C)([NH3+])CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000334689322 354477603 /nfs/dbraw/zinc/47/76/03/354477603.db2.gz YKWUTKWBPGAHDQ-GFCCVEGCSA-N 2 0 225.380 1.188 20 0 BDADRP C[N@@H+]1CC[C@@]2(CCN(Cc3ccns3)C2)C1 ZINC000639203802 354640164 /nfs/dbraw/zinc/64/01/64/354640164.db2.gz MEPZFVBXOJJNPA-GFCCVEGCSA-N 2 0 237.372 1.671 20 0 BDADRP CCc1cnc(C[NH2+]CCCC[NH3+])s1 ZINC000234145869 363415931 /nfs/dbraw/zinc/41/59/31/363415931.db2.gz QWSUSDRTQCFGHO-UHFFFAOYSA-N 2 0 213.350 1.534 20 0 BDADRP CC[C@H](C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O)c1ccccc1 ZINC000346000987 354837307 /nfs/dbraw/zinc/83/73/07/354837307.db2.gz BVRCKROUPYLCER-YUELXQCFSA-N 2 0 248.370 1.350 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CC1(C)CCC1 ZINC000234712711 363427366 /nfs/dbraw/zinc/42/73/66/363427366.db2.gz KXPKENYFACKDJP-LLVKDONJSA-N 2 0 214.353 1.520 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CC1(C)CC1 ZINC000234712673 363428099 /nfs/dbraw/zinc/42/80/99/363428099.db2.gz JNJRDHGSVSBXMW-SNVBAGLBSA-N 2 0 200.326 1.130 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CC1(SC)CC1 ZINC000234780253 363430475 /nfs/dbraw/zinc/43/04/75/363430475.db2.gz WDZZBENZCVSGSE-JTQLQIEISA-N 2 0 232.393 1.226 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H](C)C(C)C ZINC000234790518 363431578 /nfs/dbraw/zinc/43/15/78/363431578.db2.gz WXJMMSAGUDUOED-RYUDHWBXSA-N 2 0 216.369 1.622 20 0 BDADRP Cc1ccncc1C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000335178881 354964494 /nfs/dbraw/zinc/96/44/94/354964494.db2.gz NHCFJMATUDMTLF-JSGCOSHPSA-N 2 0 233.359 1.868 20 0 BDADRP Cc1ccncc1C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000335178882 354964858 /nfs/dbraw/zinc/96/48/58/354964858.db2.gz NHCFJMATUDMTLF-OCCSQVGLSA-N 2 0 233.359 1.868 20 0 BDADRP CCN(CCO)CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000346537636 354980340 /nfs/dbraw/zinc/98/03/40/354980340.db2.gz RXCBWOHCTLPNQA-MELADBBJSA-N 2 0 242.407 1.715 20 0 BDADRP C[C@@H](CCC1CC1)[NH2+]C[C@H]1CN(C)CCN1C ZINC000346593057 354986910 /nfs/dbraw/zinc/98/69/10/354986910.db2.gz KTVSHSOUXOFKNA-JSGCOSHPSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccc2c1OCO2 ZINC000346688549 355013916 /nfs/dbraw/zinc/01/39/16/355013916.db2.gz XUQGCDBGGRGBNL-WDEREUQCSA-N 2 0 248.326 1.584 20 0 BDADRP CCc1ncc(C[NH+]2CCC(C[NH3+])CC2)s1 ZINC000346690650 355075433 /nfs/dbraw/zinc/07/54/33/355075433.db2.gz UMSNMZKXUDYKTI-UHFFFAOYSA-N 2 0 239.388 1.876 20 0 BDADRP CN(C)c1ccccc1C[NH+]1CCC(C[NH3+])CC1 ZINC000346691918 355076065 /nfs/dbraw/zinc/07/60/65/355076065.db2.gz YCGQWJYBKXIKKE-UHFFFAOYSA-N 2 0 247.386 1.923 20 0 BDADRP C[NH2+]CCC1CC[NH+](Cc2c[nH]nc2C)CC1 ZINC000346695265 355077280 /nfs/dbraw/zinc/07/72/80/355077280.db2.gz ZKPRFMYSKRQXQJ-UHFFFAOYSA-N 2 0 236.363 1.540 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C2CCC(C[NH3+])CC2)CCN1C ZINC000335218945 355058215 /nfs/dbraw/zinc/05/82/15/355058215.db2.gz RLWNHFLSUAENOE-GFJIZPEISA-N 3 0 239.407 1.576 20 0 BDADRP CC/C=C/C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639227342 355068552 /nfs/dbraw/zinc/06/85/52/355068552.db2.gz LKDCYULFKKNSQS-AATRIKPKSA-N 2 0 240.391 1.778 20 0 BDADRP COC(=O)CCC(C)(C)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000346974052 355209171 /nfs/dbraw/zinc/20/91/71/355209171.db2.gz JBYUDZKSOHYZHB-NSHDSACASA-N 2 0 242.363 1.307 20 0 BDADRP CCC[N@H+](C)C[C@H]1CCN(CC(C)(C)[NH3+])C1 ZINC000346969084 355174107 /nfs/dbraw/zinc/17/41/07/355174107.db2.gz FAAVFCOGYDJYCG-GFCCVEGCSA-N 2 0 227.396 1.387 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)C2CC[NH2+]CC2)c1 ZINC000335241874 355176476 /nfs/dbraw/zinc/17/64/76/355176476.db2.gz QCCNHKSXKYIFPJ-UHFFFAOYSA-N 2 0 247.342 1.392 20 0 BDADRP Cc1cc(N)cc(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000335241884 355176631 /nfs/dbraw/zinc/17/66/31/355176631.db2.gz QDKFQUPDSKIUJS-CQSZACIVSA-N 2 0 233.359 1.809 20 0 BDADRP CC(C)([NH3+])CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000347004506 355201999 /nfs/dbraw/zinc/20/19/99/355201999.db2.gz OKONEQWQQDHXGG-ZDUSSCGKSA-N 2 0 239.407 1.532 20 0 BDADRP C[C@@H](CC[NH+](C)C)Nc1cc(NC2CC2)ncn1 ZINC000413092919 191355606 /nfs/dbraw/zinc/35/56/06/191355606.db2.gz HNNVDXDHEDOHBF-JTQLQIEISA-N 2 0 249.362 1.803 20 0 BDADRP COCCCC[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000412970946 191345459 /nfs/dbraw/zinc/34/54/59/191345459.db2.gz IXNZVBNDSNTULI-CYBMUJFWSA-N 2 0 228.380 1.829 20 0 BDADRP CCCCOCC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113516117 355252731 /nfs/dbraw/zinc/25/27/31/355252731.db2.gz ICJAZTPLRUNNPB-CYBMUJFWSA-N 2 0 228.380 1.687 20 0 BDADRP CC(C)[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)C(C)(C)O ZINC000583510575 355347675 /nfs/dbraw/zinc/34/76/75/355347675.db2.gz VXEUPJAWFLEDCN-WOPDTQHZSA-N 2 0 228.380 1.641 20 0 BDADRP CC(C)(C)[NH2+]CCN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414669659 191544035 /nfs/dbraw/zinc/54/40/35/191544035.db2.gz ZZHCKTCSGZDSLG-NEPJUHHUSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@H](C[NH2+]CC(C)(C)[NH3+])CC1CCOCC1 ZINC000414804219 191574125 /nfs/dbraw/zinc/57/41/25/191574125.db2.gz NPMWIKUDKYAPEX-NSHDSACASA-N 2 0 228.380 1.766 20 0 BDADRP CC[NH+](CC)CC1CC[NH+](CCC[NH3+])CC1 ZINC000414743216 191558620 /nfs/dbraw/zinc/55/86/20/191558620.db2.gz UOMKDVLFAKKPEQ-UHFFFAOYSA-N 3 0 227.396 1.389 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000415020311 191653878 /nfs/dbraw/zinc/65/38/78/191653878.db2.gz XAAMCLZFXWVOAU-AGIUHOORSA-N 3 0 227.396 1.482 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+](CC3CCC3)C2)C1 ZINC000335859131 355604564 /nfs/dbraw/zinc/60/45/64/355604564.db2.gz CJLSMZOZUSWASC-ZDUSSCGKSA-N 2 0 208.349 1.814 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)N[C@H](C[NH3+])C1CCCC1 ZINC000415062251 191665543 /nfs/dbraw/zinc/66/55/43/191665543.db2.gz FBFKXEIBQVTICB-MRVWCRGKSA-N 2 0 239.407 1.624 20 0 BDADRP CCOC1CC(C[N@H+](C)CC2CN(C)C2)C1 ZINC000639309304 355665743 /nfs/dbraw/zinc/66/57/43/355665743.db2.gz JTPAVRJWJFUNRE-UHFFFAOYSA-N 2 0 226.364 1.295 20 0 BDADRP C[C@@H]1C[C@H](N2CCc3n[nH]cc3C2)CC[N@@H+]1C ZINC000639343186 355785892 /nfs/dbraw/zinc/78/58/92/355785892.db2.gz GUQODPHTULXIEY-ZYHUDNBSSA-N 2 0 234.347 1.251 20 0 BDADRP C/C=C\C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639352231 355801300 /nfs/dbraw/zinc/80/13/00/355801300.db2.gz FPGDKXNPRHDRHQ-PLNGDYQASA-N 2 0 226.364 1.387 20 0 BDADRP CC[C@]1(O)CCC[N@H+](Cc2cnc3n2CCC3)C1 ZINC000639382770 355932373 /nfs/dbraw/zinc/93/23/73/355932373.db2.gz WTQCDOYXFJLJBK-AWEZNQCLSA-N 2 0 249.358 1.566 20 0 BDADRP CC(C)OCCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351480150 355994414 /nfs/dbraw/zinc/99/44/14/355994414.db2.gz TYYMNTOQNCTYDE-YNEHKIRRSA-N 2 0 226.364 1.471 20 0 BDADRP CC[C@H](C)[C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)CC ZINC000393725606 355949459 /nfs/dbraw/zinc/94/94/59/355949459.db2.gz YVOXMKFGCUPKTA-TUAOUCFPSA-N 2 0 216.369 1.323 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000639452413 356232739 /nfs/dbraw/zinc/23/27/39/356232739.db2.gz BOVKPRKYELJPEY-GXTWGEPZSA-N 2 0 240.391 1.685 20 0 BDADRP COC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000087479767 491088889 /nfs/dbraw/zinc/08/88/89/491088889.db2.gz GGXWZWYCFUVHNC-AAEUAGOBSA-N 2 0 226.364 1.343 20 0 BDADRP CN(CCc1cnccn1)C[C@H]1CCC[N@H+](C)C1 ZINC000639496084 356322543 /nfs/dbraw/zinc/32/25/43/356322543.db2.gz UOXXKWFWFQWXLX-ZDUSSCGKSA-N 2 0 248.374 1.293 20 0 BDADRP CC[NH+](CC)CCCN1CCC[C@H]1C[NH2+]C ZINC000420291489 192203848 /nfs/dbraw/zinc/20/38/48/192203848.db2.gz NUOFSLVTSBRBLM-ZDUSSCGKSA-N 2 0 227.396 1.402 20 0 BDADRP C[C@H]1CN(CCC[NH+]2CCCCC2)CC[NH2+]1 ZINC000420295085 192203958 /nfs/dbraw/zinc/20/39/58/192203958.db2.gz USGVGVGNJLBXJI-ZDUSSCGKSA-N 2 0 225.380 1.156 20 0 BDADRP C[NH2+]CC1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420301424 192207465 /nfs/dbraw/zinc/20/74/65/192207465.db2.gz VYAVFHHZXXWDJC-CYBMUJFWSA-N 3 0 239.407 1.308 20 0 BDADRP C[C@H]1C[N@H+](CCCc2ccncc2)CC[C@@H]1[NH3+] ZINC000420297283 192205654 /nfs/dbraw/zinc/20/56/54/192205654.db2.gz YLIKLFWDRXQHQC-JSGCOSHPSA-N 2 0 233.359 1.683 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420269530 192195721 /nfs/dbraw/zinc/19/57/21/192195721.db2.gz IEYUSOPZVGQAKX-ZIAGYGMSSA-N 3 0 239.407 1.308 20 0 BDADRP CCC[N@H+](CC[C@@H]1CC[NH2+]C1)C1CC[NH2+]CC1 ZINC000420318800 192195734 /nfs/dbraw/zinc/19/57/34/192195734.db2.gz OQDNBXOBOQWVEQ-ZDUSSCGKSA-N 3 0 239.407 1.450 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420269524 192195920 /nfs/dbraw/zinc/19/59/20/192195920.db2.gz IEYUSOPZVGQAKX-KBPBESRZSA-N 3 0 239.407 1.308 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CCN1[C@H](C)CCC[C@H]1C ZINC000422888324 192499432 /nfs/dbraw/zinc/49/94/32/192499432.db2.gz MRAHAVHSCPRMSY-MGPQQGTHSA-N 2 0 241.423 1.966 20 0 BDADRP C[NH2+][C@@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000420276381 192198545 /nfs/dbraw/zinc/19/85/45/192198545.db2.gz RPLCANSPOVEZSD-CYBMUJFWSA-N 2 0 225.380 1.156 20 0 BDADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H]2CCOC2)CC1 ZINC000336119422 134089651 /nfs/dbraw/zinc/08/96/51/134089651.db2.gz NPVWLSQENNORMR-QWHCGFSZSA-N 2 0 226.364 1.439 20 0 BDADRP CC(C)OC(=O)CC[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000420286393 192200925 /nfs/dbraw/zinc/20/09/25/192200925.db2.gz GGHJIFLRGNKGQY-LBPRGKRZSA-N 2 0 244.379 1.633 20 0 BDADRP CC[N@H+](Cc1ccnc(N)c1)[C@H]1CCC[NH2+]CC1 ZINC000420317488 192213225 /nfs/dbraw/zinc/21/32/25/192213225.db2.gz UOJQJDQVOYJKMU-ZDUSSCGKSA-N 2 0 248.374 1.458 20 0 BDADRP COc1cccc([C@H](C)[N@H+](C)C[C@H](O)C[NH3+])c1 ZINC000420350063 192217260 /nfs/dbraw/zinc/21/72/60/192217260.db2.gz FQWUQBBVLURMRK-CMPLNLGQSA-N 2 0 238.331 1.008 20 0 BDADRP CO[C@]1(C)C[C@H]([N@H+](C)CCC[NH3+])C1(C)C ZINC000420308441 192210633 /nfs/dbraw/zinc/21/06/33/192210633.db2.gz SGDZPQCRRXVZJW-CMPLNLGQSA-N 2 0 214.353 1.471 20 0 BDADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)[C@H](CN)C1CC1 ZINC000420312869 192211005 /nfs/dbraw/zinc/21/10/05/192211005.db2.gz IUWDNXLDHXPAAH-DGCLKSJQSA-N 2 0 225.380 1.045 20 0 BDADRP CCOC(=O)CCCC[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000420311132 192211670 /nfs/dbraw/zinc/21/16/70/192211670.db2.gz GVJLWCMFDISWLQ-RYUDHWBXSA-N 2 0 242.363 1.389 20 0 BDADRP c1nc(C2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)c[nH]1 ZINC000420317738 192212425 /nfs/dbraw/zinc/21/24/25/192212425.db2.gz NEDYGQLPCMODES-GFCCVEGCSA-N 2 0 248.374 1.589 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])CN1CCC[NH+]1CCCCC1 ZINC000420322749 192227580 /nfs/dbraw/zinc/22/75/80/192227580.db2.gz SVRSHRCFBUQAJL-ZIAGYGMSSA-N 2 0 239.407 1.532 20 0 BDADRP CC[N@H+](CCC(=O)OC)[C@H]1CCC[NH2+]CC1 ZINC000420321385 192227681 /nfs/dbraw/zinc/22/76/81/192227681.db2.gz ZYXBILNHAVVMQR-NSHDSACASA-N 2 0 228.336 1.014 20 0 BDADRP C[C@H]1C[C@@H](C[NH3+])CN1CCC[NH+]1CCCCC1 ZINC000420322739 192228355 /nfs/dbraw/zinc/22/83/55/192228355.db2.gz SVRSHRCFBUQAJL-KBPBESRZSA-N 2 0 239.407 1.532 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420322058 192228451 /nfs/dbraw/zinc/22/84/51/192228451.db2.gz RXXLKYPLOZHKJC-FRRDWIJNSA-N 3 0 225.380 1.045 20 0 BDADRP C[N@H+](C[C@H](O)C[NH3+])[C@H]1CCCc2ccccc21 ZINC000420356621 192220164 /nfs/dbraw/zinc/22/01/64/192220164.db2.gz RCCOURJRCBQFBS-OCCSQVGLSA-N 2 0 234.343 1.315 20 0 BDADRP CCOC(=O)[C@H]1CCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420360305 192221167 /nfs/dbraw/zinc/22/11/67/192221167.db2.gz LWCFOSDSDGRJTF-NWDGAFQWSA-N 2 0 240.347 1.014 20 0 BDADRP C[NH2+]CCC[N@H+](C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000420381529 192234784 /nfs/dbraw/zinc/23/47/84/192234784.db2.gz XOFOWPBQRCQZKE-SWLSCSKDSA-N 2 0 248.370 1.920 20 0 BDADRP C[NH2+]CCCN[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000420393476 192236726 /nfs/dbraw/zinc/23/67/26/192236726.db2.gz CDPGFOXIUJUZOZ-LSDHHAIUSA-N 2 0 247.386 1.631 20 0 BDADRP C[NH2+]CCC[N@H+](C)CCCc1ccncc1 ZINC000420389903 192237388 /nfs/dbraw/zinc/23/73/88/192237388.db2.gz MKOJDFIAMMHOJQ-UHFFFAOYSA-N 2 0 221.348 1.556 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H]1CCCO[C@@H]1CC(C)C ZINC000420409375 192239641 /nfs/dbraw/zinc/23/96/41/192239641.db2.gz QNRLWGWNWFWWCV-CHWSQXEVSA-N 2 0 228.380 1.779 20 0 BDADRP C[N@H+](C[C@H]1C[C@@H](O)C1)C[C@@H]1CCC[NH+](C)C1 ZINC000420918227 192272776 /nfs/dbraw/zinc/27/27/76/192272776.db2.gz VNAISRZIKMEKPA-UPJWGTAASA-N 2 0 226.364 1.031 20 0 BDADRP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H]1C[C@@H](O)C1 ZINC000420917131 192273065 /nfs/dbraw/zinc/27/30/65/192273065.db2.gz QPJJZVAFIALZDT-MELADBBJSA-N 2 0 240.391 1.564 20 0 BDADRP CC[NH+](CC)CCC[N@H+]1C[C@H](CO)C[C@H](C)C1 ZINC000420930882 192286848 /nfs/dbraw/zinc/28/68/48/192286848.db2.gz CTYRZQZBXVDJLP-UONOGXRCSA-N 2 0 242.407 1.669 20 0 BDADRP C[C@H]1OCC[C@@H]1C[N@H+](C)CCC[NH+]1CCCC1 ZINC000639621961 356540684 /nfs/dbraw/zinc/54/06/84/356540684.db2.gz CCKAZQXSOXCXNA-ZIAGYGMSSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+]CCN1CCCC1(C)C ZINC000449781692 202036086 /nfs/dbraw/zinc/03/60/86/202036086.db2.gz JGBXZQXEHJQLKK-RYUDHWBXSA-N 2 0 226.364 1.628 20 0 BDADRP CC(C)[C@H](C(=O)N(C)CC(C)(C)C[NH3+])[C@@H](C)[NH3+] ZINC000422905479 192501557 /nfs/dbraw/zinc/50/15/57/192501557.db2.gz ZDSTWYGTWTWSRB-MNOVXSKESA-N 2 0 243.395 1.049 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000422923072 192507209 /nfs/dbraw/zinc/50/72/09/192507209.db2.gz VCNQMDIZQKPBJR-GHMZBOCLSA-N 2 0 241.379 1.103 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCN(c2ccccn2)C1 ZINC000422967268 192527894 /nfs/dbraw/zinc/52/78/94/192527894.db2.gz OUJNNGONTXDZBO-OLZOCXBDSA-N 2 0 248.374 1.377 20 0 BDADRP [NH3+]CC1CCC([NH2+]C[C@@H]2CCC[C@H](O)C2)CC1 ZINC000423006985 192535695 /nfs/dbraw/zinc/53/56/95/192535695.db2.gz PROIJRVEDWLYSJ-HHTDUIENSA-N 2 0 240.391 1.645 20 0 BDADRP CC(C)[NH+](CCCN[C@@H]1CCC[C@H]1[NH3+])C(C)C ZINC000423008747 192537075 /nfs/dbraw/zinc/53/70/75/192537075.db2.gz ULGHJPPLISGANV-ZIAGYGMSSA-N 2 0 241.423 1.965 20 0 BDADRP CO[C@@H]1CCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423013727 192540849 /nfs/dbraw/zinc/54/08/49/192540849.db2.gz GLSSKKNAPJYIFG-BEUHCMRWSA-N 2 0 238.375 1.674 20 0 BDADRP CO[C@@H](CC[NH2+][C@@H](C)CCC[NH3+])C(F)(F)F ZINC000423072104 192559818 /nfs/dbraw/zinc/55/98/18/192559818.db2.gz PDMUZLWRLOCGGI-IUCAKERBSA-N 2 0 242.285 1.671 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC1(CO)CCCC1 ZINC000423047619 192551677 /nfs/dbraw/zinc/55/16/77/192551677.db2.gz GWTGJMKBLJDLLE-CHWSQXEVSA-N 2 0 240.391 1.789 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](CO)Cc1ccccc1 ZINC000423056784 192553899 /nfs/dbraw/zinc/55/38/99/192553899.db2.gz GGZRUESVYYMBOJ-OBJOEFQTSA-N 2 0 236.359 1.305 20 0 BDADRP C[C@H](O)CC[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756455 356660784 /nfs/dbraw/zinc/66/07/84/356660784.db2.gz VLDFWQOLIVXZIJ-LBPRGKRZSA-N 2 0 226.364 1.175 20 0 BDADRP CCC[C@H](O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639755875 356659039 /nfs/dbraw/zinc/65/90/39/356659039.db2.gz PVQDYTXHXRSDHW-ZDUSSCGKSA-N 2 0 240.391 1.565 20 0 BDADRP C[C@H](CO)[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000167640947 134153324 /nfs/dbraw/zinc/15/33/24/134153324.db2.gz LLWSBTZKBUWYNG-TUAOUCFPSA-N 2 0 214.353 1.268 20 0 BDADRP CN(C)C[C@@]1(O)CCC[N@H+](CCC2CC2)C1 ZINC000639761478 356678655 /nfs/dbraw/zinc/67/86/55/356678655.db2.gz BLKYPLLZRFZPJX-ZDUSSCGKSA-N 2 0 226.364 1.175 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1)C1C[NH2+]C1 ZINC000423116285 192574550 /nfs/dbraw/zinc/57/45/50/192574550.db2.gz PEYVNBKLFNGXAH-RNJOBUHISA-N 2 0 240.391 1.778 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCCSC1)[C@@H]1CCC[NH2+]1 ZINC000423121761 192576080 /nfs/dbraw/zinc/57/60/80/192576080.db2.gz IVLLSZTVJVCXQI-UTUOFQBUSA-N 2 0 228.405 1.860 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[C@H](F)C1 ZINC000423125647 192576674 /nfs/dbraw/zinc/57/66/74/192576674.db2.gz NQHOQUMEMJZFQU-OUAUKWLOSA-N 2 0 202.317 1.984 20 0 BDADRP CCC[C@@H](C)[N@@H+]1CCC[C@@](O)(CN(C)C)C1 ZINC000639767858 356698620 /nfs/dbraw/zinc/69/86/20/356698620.db2.gz UGQMDPASUVERKW-CHWSQXEVSA-N 2 0 228.380 1.564 20 0 BDADRP C[NH+](C)CCC[NH2+]Cc1cccc2n[nH]cc21 ZINC000623336206 356723237 /nfs/dbraw/zinc/72/32/37/356723237.db2.gz BWFQHXWFKIIVFG-UHFFFAOYSA-N 2 0 232.331 1.604 20 0 BDADRP CCC[C@H](O)C[N@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000450466511 202175481 /nfs/dbraw/zinc/17/54/81/202175481.db2.gz JACQOPFKICKVFS-AGIUHOORSA-N 2 0 228.380 1.562 20 0 BDADRP CC[C@H]([NH2+]C1CCC(C[NH3+])CC1)[C@H](C)O ZINC000423153935 192592234 /nfs/dbraw/zinc/59/22/34/192592234.db2.gz OELXQPQTYQUMQW-XKGSQUFQSA-N 2 0 214.353 1.253 20 0 BDADRP CC[C@H](C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)OC ZINC000423160937 192598687 /nfs/dbraw/zinc/59/86/87/192598687.db2.gz RIYWSVOWDJHTJZ-MWWBDVBNSA-N 2 0 240.391 1.920 20 0 BDADRP COCCCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623358735 356799569 /nfs/dbraw/zinc/79/95/69/356799569.db2.gz PTMVPUBVQQJPCN-GFCCVEGCSA-N 2 0 228.380 1.875 20 0 BDADRP C[C@H](CO)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623373572 356884682 /nfs/dbraw/zinc/88/46/82/356884682.db2.gz DIGIYVSWZIKKHW-QWRGUYRKSA-N 2 0 214.353 1.077 20 0 BDADRP C[C@@H]1CC[C@@H](N2CCC[C@@H]([NH+](C)C)C2)C[NH2+]1 ZINC000227656486 538710506 /nfs/dbraw/zinc/71/05/06/538710506.db2.gz WRRJVHOBOIKPLR-JHJVBQTASA-N 2 0 225.380 1.153 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CCC[C@H](CO)C1 ZINC000423174002 192608890 /nfs/dbraw/zinc/60/88/90/192608890.db2.gz AWVRVFMPFCVCBU-RFGFWPKPSA-N 2 0 240.391 1.515 20 0 BDADRP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000353494750 538747455 /nfs/dbraw/zinc/74/74/55/538747455.db2.gz DZQBCSWLDWEYIO-RDBSUJKOSA-N 2 0 240.391 1.467 20 0 BDADRP COCCCN(C)CC[NH2+][C@H]1CC[C@H]1C(C)C ZINC000353534615 538748540 /nfs/dbraw/zinc/74/85/40/538748540.db2.gz UGBVPRKSRWPCPN-KBPBESRZSA-N 2 0 242.407 1.979 20 0 BDADRP CC[C@H]1CCCC[C@@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000423207151 192627638 /nfs/dbraw/zinc/62/76/38/192627638.db2.gz RGXIJYMTHPUVGR-KBPBESRZSA-N 2 0 239.407 1.450 20 0 BDADRP C[NH2+]CCCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423197802 192622408 /nfs/dbraw/zinc/62/24/08/192622408.db2.gz BFYRDFRMMKOLFY-STQMWFEESA-N 2 0 219.332 1.330 20 0 BDADRP CCCCOCC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000119598702 357028960 /nfs/dbraw/zinc/02/89/60/357028960.db2.gz DETZAPRDIPHGPT-STQMWFEESA-N 2 0 228.380 1.733 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](CNCC2(F)CC2)C1 ZINC000389984337 357078966 /nfs/dbraw/zinc/07/89/66/357078966.db2.gz LFAKQOVZTXQAGQ-NSHDSACASA-N 2 0 214.328 1.808 20 0 BDADRP CSC1(C[NH2+]CC2(F)CC2)CC[NH+](C)CC1 ZINC000390435718 357093116 /nfs/dbraw/zinc/09/31/16/357093116.db2.gz RZVIHHHNOUJASC-UHFFFAOYSA-N 2 0 246.395 1.906 20 0 BDADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000392236360 357143880 /nfs/dbraw/zinc/14/38/80/357143880.db2.gz WLMNAMHXKIILNU-STQMWFEESA-N 3 0 223.364 1.108 20 0 BDADRP CC[NH+]1CCN(Cc2cnc3ccccn23)CC1 ZINC000121839380 357155898 /nfs/dbraw/zinc/15/58/98/357155898.db2.gz KRVXSKMMFPMRTA-UHFFFAOYSA-N 2 0 244.342 1.472 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C(C)C)C1 ZINC000393791337 357299620 /nfs/dbraw/zinc/29/96/20/357299620.db2.gz ZDHXDVGDXZWTNG-OLZOCXBDSA-N 2 0 228.380 1.277 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2CCCC[C@H]2O)C[C@@H]1C[NH3+] ZINC000393358739 357307919 /nfs/dbraw/zinc/30/79/19/357307919.db2.gz RNTPFJANOVWFOQ-ZOBORPQBSA-N 2 0 240.391 1.454 20 0 BDADRP CC(C)(CO)CCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000393434831 357309019 /nfs/dbraw/zinc/30/90/19/357309019.db2.gz WLXZWDSRDQKEQU-RYUDHWBXSA-N 2 0 228.380 1.645 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccoc1 ZINC000582481574 357317042 /nfs/dbraw/zinc/31/70/42/357317042.db2.gz VXMUECHRLOLGLA-GHMZBOCLSA-N 2 0 208.305 1.930 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCC[C@H]1CCF ZINC000423285312 192678384 /nfs/dbraw/zinc/67/83/84/192678384.db2.gz ZINLJTWXOLGYCA-SRVKXCTJSA-N 2 0 216.344 1.960 20 0 BDADRP OCC1([NH2+]CC[C@H]2CCC[NH2+]C2)CCCC1 ZINC000582851814 357418814 /nfs/dbraw/zinc/41/88/14/357418814.db2.gz RIXYGLLKHDENIT-GFCCVEGCSA-N 2 0 226.364 1.271 20 0 BDADRP Cc1cnccc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000395398065 357437343 /nfs/dbraw/zinc/43/73/43/357437343.db2.gz ZKZLJYQUNZYPKW-GFCCVEGCSA-N 2 0 219.332 1.561 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1CC(C)C ZINC000396822196 357484425 /nfs/dbraw/zinc/48/44/25/357484425.db2.gz CMROZPUUGLZAST-UONOGXRCSA-N 2 0 242.407 1.810 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000230489531 357526716 /nfs/dbraw/zinc/52/67/16/357526716.db2.gz GWWFJJGUSHFLBX-HZSPNIEDSA-N 2 0 242.407 1.891 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CC[C@H](C)O2)C1 ZINC000188558242 357562001 /nfs/dbraw/zinc/56/20/01/357562001.db2.gz XBAZIKGNRDDGIH-IHRRRGAJSA-N 2 0 240.391 1.828 20 0 BDADRP CC(C)CCOCC[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000232566885 357671065 /nfs/dbraw/zinc/67/10/65/357671065.db2.gz ITJMLIDMHSMKBN-CYBMUJFWSA-N 2 0 228.380 1.720 20 0 BDADRP CC[C@H](C)C[NH2+][C@H](CCC[NH3+])COC ZINC000234008357 357768430 /nfs/dbraw/zinc/76/84/30/357768430.db2.gz NWUKJVBVILAWSS-WDEREUQCSA-N 2 0 202.342 1.376 20 0 BDADRP CC[NH+](CC)CCCN1CCC[C@@H]([NH+](C)C)C1 ZINC000191473663 357772530 /nfs/dbraw/zinc/77/25/30/357772530.db2.gz ZRLOOPMWAJRBKL-CQSZACIVSA-N 2 0 241.423 1.744 20 0 BDADRP CC[NH+](CC)CCC[N@H+](C)CC[C@@H](C)O ZINC000191512356 357783310 /nfs/dbraw/zinc/78/33/10/357783310.db2.gz HFDJYWHSOCTWPR-GFCCVEGCSA-N 2 0 216.369 1.421 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623416252 357831843 /nfs/dbraw/zinc/83/18/43/357831843.db2.gz OKIUPOOPGULBGU-OCCSQVGLSA-N 2 0 242.407 2.000 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000398494303 357886186 /nfs/dbraw/zinc/88/61/86/357886186.db2.gz UOYYBTMZHQPLRL-WOPDTQHZSA-N 2 0 214.353 1.397 20 0 BDADRP CC[C@H](O)C[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000583318111 357901071 /nfs/dbraw/zinc/90/10/71/357901071.db2.gz QXKCHCXGGLVLGB-STQMWFEESA-N 2 0 228.380 1.611 20 0 BDADRP C[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)[N@H+](C)C1CC1 ZINC000217537893 357909226 /nfs/dbraw/zinc/90/92/26/357909226.db2.gz ZRUHHLMXGSBVML-IJLUTSLNSA-N 2 0 225.380 1.329 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)[C@H](CO)C1 ZINC000639936196 357932276 /nfs/dbraw/zinc/93/22/76/357932276.db2.gz AJLMBTWJROFWTO-RDBSUJKOSA-N 2 0 240.391 1.564 20 0 BDADRP CSC1(C[NH2+][C@@H](C)[C@@H](C)O)CC[NH+](C)CC1 ZINC000584465628 357992527 /nfs/dbraw/zinc/99/25/27/357992527.db2.gz SJSLSBBZPCEXOY-WDEREUQCSA-N 2 0 246.420 1.173 20 0 BDADRP CS[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000169077233 134248692 /nfs/dbraw/zinc/24/86/92/134248692.db2.gz HEDDJLBPEWILIN-OPRDCNLKSA-N 2 0 202.367 1.455 20 0 BDADRP CC[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000037019534 358063983 /nfs/dbraw/zinc/06/39/83/358063983.db2.gz QSWUTFSCUWSIDE-GFCCVEGCSA-N 2 0 235.331 1.424 20 0 BDADRP CCC1([NH+](C)C)CC[NH+](CCCCCO)CC1 ZINC000640018347 358080530 /nfs/dbraw/zinc/08/05/30/358080530.db2.gz UMPOWRRKRMSFQW-UHFFFAOYSA-N 2 0 242.407 1.955 20 0 BDADRP CC(C)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000038124813 358117318 /nfs/dbraw/zinc/11/73/18/358117318.db2.gz RREJEWCUHKFBEG-UHFFFAOYSA-N 2 0 226.364 1.221 20 0 BDADRP CC(C)[N@H+](C)CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000223002574 358214091 /nfs/dbraw/zinc/21/40/91/358214091.db2.gz FVRSWMCZNYKKQA-NEPJUHHUSA-N 3 0 213.369 1.186 20 0 BDADRP CCC[C@H](O)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000450640507 202223293 /nfs/dbraw/zinc/22/32/93/202223293.db2.gz CZOQZWVJOYEDNM-ZDUSSCGKSA-N 2 0 240.391 1.708 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)[C@H](C)CO ZINC000450736278 202246341 /nfs/dbraw/zinc/24/63/41/202246341.db2.gz FCWLHOYLGMWJQY-UTUOFQBUSA-N 2 0 214.353 1.077 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)[C@H](C)CO ZINC000450736277 202251542 /nfs/dbraw/zinc/25/15/42/202251542.db2.gz FCWLHOYLGMWJQY-IJLUTSLNSA-N 2 0 214.353 1.077 20 0 BDADRP CC[C@@H]([NH2+]CC1C[NH2+]C1)c1cccc(OC)c1 ZINC000423306447 192693971 /nfs/dbraw/zinc/69/39/71/192693971.db2.gz TWDLPBICYRKSDG-CQSZACIVSA-N 2 0 234.343 1.955 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCCCCO)C1 ZINC000229106715 358344894 /nfs/dbraw/zinc/34/48/94/358344894.db2.gz ROCOLGQTIBMMFJ-MNOVXSKESA-N 2 0 200.326 1.009 20 0 BDADRP COCCCCC[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000227257083 358352270 /nfs/dbraw/zinc/35/22/70/358352270.db2.gz BNMZFLFIBLBRDU-RYUDHWBXSA-N 2 0 214.353 1.615 20 0 BDADRP CC(C)(CCO)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000227905689 358365915 /nfs/dbraw/zinc/36/59/15/358365915.db2.gz KUBVSPNWFAVNAL-WDEREUQCSA-N 2 0 214.353 1.255 20 0 BDADRP CCC(CC)(CO)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000230209557 358396369 /nfs/dbraw/zinc/39/63/69/358396369.db2.gz DLYYIGLMBAYDTF-RYUDHWBXSA-N 2 0 228.380 1.645 20 0 BDADRP CSC[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000229350008 358402631 /nfs/dbraw/zinc/40/26/31/358402631.db2.gz ASGIFFBKSUQOAI-AEJSXWLSSA-N 2 0 202.367 1.597 20 0 BDADRP CCCC[C@H](C)[NH2+]CCOCC[NH+](C)C ZINC000219316362 134281605 /nfs/dbraw/zinc/28/16/05/134281605.db2.gz GZWSKVDLDZTIGZ-LBPRGKRZSA-N 2 0 216.369 1.733 20 0 BDADRP CC[NH+]1CCC(N(C)C[C@@H]([NH3+])CC(C)C)CC1 ZINC000042689557 358528108 /nfs/dbraw/zinc/52/81/08/358528108.db2.gz IODMZQNTVHBPLN-ZDUSSCGKSA-N 2 0 241.423 1.776 20 0 BDADRP CCC(O)(CC)C[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000130070267 358606614 /nfs/dbraw/zinc/60/66/14/358606614.db2.gz PBGWVKYSSSCWHF-NEPJUHHUSA-N 2 0 240.391 1.752 20 0 BDADRP Cc1nccn1CC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000130154590 358610415 /nfs/dbraw/zinc/61/04/15/358610415.db2.gz QBKNZEFZMHJDCV-AAEUAGOBSA-N 2 0 236.363 1.121 20 0 BDADRP CCCC[C@@H]([NH3+])C(=O)N(C)C1CC[NH+](C)CC1 ZINC000048221063 358624304 /nfs/dbraw/zinc/62/43/04/358624304.db2.gz KUFXUXAUIZEMST-GFCCVEGCSA-N 2 0 241.379 1.057 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)NCC[NH+]1CCCCC1 ZINC000049575514 358695272 /nfs/dbraw/zinc/69/52/72/358695272.db2.gz BJCQDSUXOBGTDY-LBPRGKRZSA-N 2 0 241.379 1.106 20 0 BDADRP CC(C)[C@H]([NH3+])CCN(C)Cc1cncn1C ZINC000133293326 358749987 /nfs/dbraw/zinc/74/99/87/358749987.db2.gz BEJAYALNYZOFBV-GFCCVEGCSA-N 2 0 224.352 1.225 20 0 BDADRP C[C@H](CC1CC1)[NH2+]C[C@@H]1CN(C)CCN1C ZINC000133450801 358755690 /nfs/dbraw/zinc/75/56/90/358755690.db2.gz YWBIBZOOPRFTMB-DGCLKSJQSA-N 2 0 225.380 1.010 20 0 BDADRP CC[C@@H](C)C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000133578951 358759441 /nfs/dbraw/zinc/75/94/41/358759441.db2.gz ATMXTRMCMWBSKV-CYBMUJFWSA-N 2 0 241.423 1.648 20 0 BDADRP CCCN(CC[NH+](CC)CC)C(=O)C[NH+](C)C ZINC000132222402 358713820 /nfs/dbraw/zinc/71/38/20/358713820.db2.gz RSVKZYQGOSJNTM-UHFFFAOYSA-N 2 0 243.395 1.128 20 0 BDADRP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C1CCC1 ZINC000132629508 358731083 /nfs/dbraw/zinc/73/10/83/358731083.db2.gz SXHQFQJEIYZYPC-WCQYABFASA-N 2 0 226.364 1.221 20 0 BDADRP CCC(O)(CC)C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000133022061 358743423 /nfs/dbraw/zinc/74/34/23/358743423.db2.gz CBDZBYNSJHVBKC-RYUDHWBXSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@@H]1OCC[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000133959723 358774626 /nfs/dbraw/zinc/77/46/26/358774626.db2.gz PTUHJZRPYXOAMY-QWHCGFSZSA-N 2 0 226.364 1.629 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C2CSC2)C1 ZINC000308549923 491136949 /nfs/dbraw/zinc/13/69/49/491136949.db2.gz XCIDBDGNPHZILU-JTQLQIEISA-N 2 0 214.378 1.422 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](CCCOc2ccccc2)C1 ZINC000053035174 358805812 /nfs/dbraw/zinc/80/58/12/358805812.db2.gz SXWPHJOXMKAILV-AWEZNQCLSA-N 2 0 248.370 1.997 20 0 BDADRP O[C@@H](C[NH2+][C@@H]1CCCC12CC2)C[NH+]1CCCC1 ZINC000578248323 366471570 /nfs/dbraw/zinc/47/15/70/366471570.db2.gz CIDLRHLNAMYEER-QWHCGFSZSA-N 2 0 238.375 1.365 20 0 BDADRP COCCCC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000578323819 366512358 /nfs/dbraw/zinc/51/23/58/366512358.db2.gz XUOCDGMRCDMDIK-ZDUSSCGKSA-N 2 0 226.364 1.489 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000578324050 366512519 /nfs/dbraw/zinc/51/25/19/366512519.db2.gz HKNCSHDTFIEIPA-QWRGUYRKSA-N 2 0 200.326 1.001 20 0 BDADRP COC(CN1CC[C@@H](C[NH+]2CCCC2)C1)OC ZINC000136771698 358886279 /nfs/dbraw/zinc/88/62/79/358886279.db2.gz UXCKLQMCRAMCIF-LBPRGKRZSA-N 2 0 242.363 1.023 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)[C@H]1CCOC1 ZINC000623430868 358890681 /nfs/dbraw/zinc/89/06/81/358890681.db2.gz JNXAVBGLWHZQGV-RWMBFGLXSA-N 2 0 240.391 1.874 20 0 BDADRP COC(C)(C)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623432976 358946733 /nfs/dbraw/zinc/94/67/33/358946733.db2.gz VCTXKTKEYOSNOV-NSHDSACASA-N 2 0 228.380 1.874 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCC[NH+]2CCCC2)CCO1 ZINC000069859066 359034708 /nfs/dbraw/zinc/03/47/08/359034708.db2.gz KIZBMCGXARNUJA-QWHCGFSZSA-N 2 0 226.364 1.629 20 0 BDADRP C[N@@H+]1CCC[C@H]2CN(Cc3cncnc3)CC[C@H]21 ZINC000247269867 359208048 /nfs/dbraw/zinc/20/80/48/359208048.db2.gz YBDSKYPXADLIPD-UONOGXRCSA-N 2 0 246.358 1.393 20 0 BDADRP COC[C@]1(C[NH2+][C@@H]2C[C@H](C)[C@@H]2C)CCC[NH2+]1 ZINC000423411307 192748871 /nfs/dbraw/zinc/74/88/71/192748871.db2.gz FJCFKJZLMOESON-WUHRBBMRSA-N 2 0 226.364 1.389 20 0 BDADRP C1CC2(C1)CCC[C@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423422884 192751076 /nfs/dbraw/zinc/75/10/76/192751076.db2.gz CYJIHERABMLUSX-KXNHARMFSA-N 2 0 206.333 1.517 20 0 BDADRP CC[C@H]([NH3+])CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423470223 192783446 /nfs/dbraw/zinc/78/34/46/192783446.db2.gz PBHVIVKKUUIJLY-ZWKOPEQDSA-N 2 0 219.332 1.458 20 0 BDADRP COC[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)C(C)C ZINC000423488056 192792499 /nfs/dbraw/zinc/79/24/99/192792499.db2.gz DIDHUAVMNOMIFU-WOPDTQHZSA-N 2 0 214.353 1.374 20 0 BDADRP C[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423495739 192794470 /nfs/dbraw/zinc/79/44/70/192794470.db2.gz VEGBYMBAEREAIX-RYUDHWBXSA-N 2 0 228.380 1.779 20 0 BDADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)[C@@H]1CCCOC1 ZINC000423537524 192807923 /nfs/dbraw/zinc/80/79/23/192807923.db2.gz KHINTAKVNZNTCH-TZMCWYRMSA-N 2 0 238.375 1.701 20 0 BDADRP CC[NH+](CC)CCC[NH+]1[C@@H](C)CC(O)C[C@@H]1C ZINC000191154101 359533453 /nfs/dbraw/zinc/53/34/53/359533453.db2.gz DECTWJYGMJTJDV-STQMWFEESA-N 2 0 242.407 1.952 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCO[C@@H](C3CC3)C2)C1 ZINC000580465334 359570234 /nfs/dbraw/zinc/57/02/34/359570234.db2.gz FANCYJCFSJRYQW-ZOBORPQBSA-N 2 0 238.375 1.804 20 0 BDADRP CCC[NH+](CCC)CCCC(=O)N(C)CC[NH3+] ZINC000424011559 192854059 /nfs/dbraw/zinc/85/40/59/192854059.db2.gz RCJVCMQPOHWPOJ-UHFFFAOYSA-N 2 0 243.395 1.306 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)CN1CCC(C)CC1 ZINC000309056626 491143523 /nfs/dbraw/zinc/14/35/23/491143523.db2.gz RPMVRMDWHLHDDC-CYBMUJFWSA-N 2 0 228.380 1.419 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+]CCN2CCC2)CC1(C)C ZINC000623470210 359769180 /nfs/dbraw/zinc/76/91/80/359769180.db2.gz FEINWZMIYPQKAW-GFCCVEGCSA-N 2 0 225.380 1.155 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCSC2)C1 ZINC000231346716 359859637 /nfs/dbraw/zinc/85/96/37/359859637.db2.gz RNEYXZANGSFHNR-OPRDCNLKSA-N 2 0 200.351 1.351 20 0 BDADRP F[C@@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000451200752 202378747 /nfs/dbraw/zinc/37/87/47/202378747.db2.gz TVMYFZDCXAMQKC-GFCCVEGCSA-N 2 0 214.328 1.906 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@@H](F)C1 ZINC000451198778 202379776 /nfs/dbraw/zinc/37/97/76/202379776.db2.gz PXBDPYRUPGLEHX-LLVKDONJSA-N 2 0 202.317 1.762 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH2+][C@H]1CCOC1(C)C ZINC000451241295 202384896 /nfs/dbraw/zinc/38/48/96/202384896.db2.gz JBJGNFQEGNVXBU-RYUDHWBXSA-N 2 0 226.364 1.628 20 0 BDADRP COC[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)C1CC1 ZINC000087477021 359914525 /nfs/dbraw/zinc/91/45/25/359914525.db2.gz ZWHCJNYIPHNBRW-GFCCVEGCSA-N 2 0 228.380 1.589 20 0 BDADRP CC[C@@H]1[C@@H](CO)CC[N@@H+]1CCC[NH+](CC)CC ZINC000451260887 202390379 /nfs/dbraw/zinc/39/03/79/202390379.db2.gz VDMSMDZFOJZUIJ-ZIAGYGMSSA-N 2 0 242.407 1.811 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000578626323 366611227 /nfs/dbraw/zinc/61/12/27/366611227.db2.gz JPBWYGBZEUMTNG-FIQHERPVSA-N 3 0 213.369 1.090 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000578626322 366611739 /nfs/dbraw/zinc/61/17/39/366611739.db2.gz JPBWYGBZEUMTNG-BJDJZHNGSA-N 3 0 213.369 1.090 20 0 BDADRP C[C@H]([NH3+])c1ccc(C(=O)N2CCC([NH3+])CC2)cc1 ZINC000578887517 366668942 /nfs/dbraw/zinc/66/89/42/366668942.db2.gz DGTCQHRCULPJRT-JTQLQIEISA-N 2 0 247.342 1.270 20 0 BDADRP COCCOCCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089140596 359992644 /nfs/dbraw/zinc/99/26/44/359992644.db2.gz UDIOZNVQLZJIDW-CHWSQXEVSA-N 2 0 244.379 1.147 20 0 BDADRP COc1cc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])ccn1 ZINC000089146310 359992695 /nfs/dbraw/zinc/99/26/95/359992695.db2.gz WQNJWAPADNKPNZ-STQMWFEESA-N 2 0 249.358 1.697 20 0 BDADRP C[N@H+](CCC[NH3+])Cc1cccc2c1NCC2 ZINC000578867364 366661694 /nfs/dbraw/zinc/66/16/94/366661694.db2.gz OSLFIEXJZLJKIU-UHFFFAOYSA-N 2 0 219.332 1.435 20 0 BDADRP CCN(CC)[C@@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000089749462 360036738 /nfs/dbraw/zinc/03/67/38/360036738.db2.gz SMKJWTLDQVYBBM-UONOGXRCSA-N 2 0 239.407 1.402 20 0 BDADRP CCC[NH+]1CCC(N[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089147963 359994403 /nfs/dbraw/zinc/99/44/03/359994403.db2.gz GJSFYLZRJJHUBJ-JSGCOSHPSA-N 2 0 239.407 1.578 20 0 BDADRP C1C[C@@H]2C[C@@H]([NH2+]C3CCOCC3)CC[N@@H+]2C1 ZINC000090714581 360084708 /nfs/dbraw/zinc/08/47/08/360084708.db2.gz BVZBHRHPPHGKLX-QWHCGFSZSA-N 2 0 224.348 1.382 20 0 BDADRP Cc1n[nH]cc1CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000092043679 360147032 /nfs/dbraw/zinc/14/70/32/360147032.db2.gz ICNPOURVXWHZOJ-TZMCWYRMSA-N 2 0 248.374 1.634 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCC[NH+](C)C ZINC000093496204 360251686 /nfs/dbraw/zinc/25/16/86/360251686.db2.gz SBRVSTGQLOILII-KGLIPLIRSA-N 2 0 241.423 1.839 20 0 BDADRP CC[C@H](CO)[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000093488556 360251133 /nfs/dbraw/zinc/25/11/33/360251133.db2.gz PUXUXUZWSPHCIN-YIYPIFLZSA-N 2 0 240.391 1.658 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623474671 360410191 /nfs/dbraw/zinc/41/01/91/360410191.db2.gz LDMZHZKNJYCHBL-STQMWFEESA-N 2 0 242.407 1.857 20 0 BDADRP C[C@H](NCC1([NH+](C)C)CCC1)c1ncc[nH]1 ZINC000309535238 491150334 /nfs/dbraw/zinc/15/03/34/491150334.db2.gz DWZAUOHWBHUVCU-JTQLQIEISA-N 2 0 222.336 1.545 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000629390160 361037856 /nfs/dbraw/zinc/03/78/56/361037856.db2.gz LNTVBCYRECXNPB-IGQOVBAYSA-N 2 0 240.391 1.920 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H](C)CC(C)C ZINC000629392417 361041334 /nfs/dbraw/zinc/04/13/34/361041334.db2.gz NGAAONBQUURSSC-LLVKDONJSA-N 2 0 202.342 1.247 20 0 BDADRP C[NH2+]CCOCC[NH2+]C1CCCCC1 ZINC000629391999 361041441 /nfs/dbraw/zinc/04/14/41/361041441.db2.gz HIJFAIFHKYLXGC-UHFFFAOYSA-N 2 0 200.326 1.145 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H](C)CCC(C)C ZINC000629392803 361041997 /nfs/dbraw/zinc/04/19/97/361041997.db2.gz UGSBKHSPLDLJAL-GFCCVEGCSA-N 2 0 216.369 1.637 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C1CCC(OC)CC1 ZINC000629390941 361046006 /nfs/dbraw/zinc/04/60/06/361046006.db2.gz ZTYKKNMQZUBPLR-IFWUJCSASA-N 2 0 226.364 1.674 20 0 BDADRP C[C@@H]1CCC[C@@H]([NH2+]CCOCCC[NH3+])C1 ZINC000629398875 361046863 /nfs/dbraw/zinc/04/68/63/361046863.db2.gz ZWAWMNRPBPHBBH-VXGBXAGGSA-N 2 0 214.353 1.520 20 0 BDADRP [NH3+]CCCOCC[NH2+]CC1CCCCC1 ZINC000629398367 361049400 /nfs/dbraw/zinc/04/94/00/361049400.db2.gz RZHFZSUGVNYUPT-UHFFFAOYSA-N 2 0 214.353 1.522 20 0 BDADRP C[C@H]1CC[C@H]([NH2+]CCOCCC[NH3+])C1 ZINC000629398165 361049455 /nfs/dbraw/zinc/04/94/55/361049455.db2.gz NUFNVZODTHUBGR-QWRGUYRKSA-N 2 0 200.326 1.130 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CCOCCC[NH3+])[C@@H](C)C1 ZINC000629399574 361050720 /nfs/dbraw/zinc/05/07/20/361050720.db2.gz VDQBOFCLLMRNAX-AGIUHOORSA-N 2 0 228.380 1.766 20 0 BDADRP C[C@H]1CCC[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629399506 361050726 /nfs/dbraw/zinc/05/07/26/361050726.db2.gz SKNWREXRWUXZEC-QWRGUYRKSA-N 2 0 200.326 1.130 20 0 BDADRP CC1(C)CC[C@@H]([NH2+]CCOCCC[NH3+])C1 ZINC000629399976 361051074 /nfs/dbraw/zinc/05/10/74/361051074.db2.gz NRQNSSGGPNAROH-LLVKDONJSA-N 2 0 214.353 1.520 20 0 BDADRP CCC[NH+]1CCC(N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000629405338 361054507 /nfs/dbraw/zinc/05/45/07/361054507.db2.gz IYEBXDUPBDFRDX-WCQYABFASA-N 2 0 225.380 1.201 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H](C)CC1CCOCC1 ZINC000629404856 361054549 /nfs/dbraw/zinc/05/45/49/361054549.db2.gz ROMPADDQLYRVCL-LBPRGKRZSA-N 2 0 244.379 1.017 20 0 BDADRP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CC2([NH3+])CCOCC2)C1 ZINC000629521444 361118040 /nfs/dbraw/zinc/11/80/40/361118040.db2.gz QKGOPJZHWVXFLS-UPJWGTAASA-N 2 0 240.391 1.909 20 0 BDADRP CCO[C@H](C[N@@H+]1CCC[C@@H](C[NH2+]C)C1)C1CC1 ZINC000629507240 361105925 /nfs/dbraw/zinc/10/59/25/361105925.db2.gz AVAOPDNTQNQSGO-GXTWGEPZSA-N 2 0 240.391 1.733 20 0 BDADRP CCO[C@@H](C[N@@H+]1CCC[C@H](C[NH2+]C)C1)C1CC1 ZINC000629507242 361106053 /nfs/dbraw/zinc/10/60/53/361106053.db2.gz AVAOPDNTQNQSGO-OCCSQVGLSA-N 2 0 240.391 1.733 20 0 BDADRP Nc1ncccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000629520029 361120275 /nfs/dbraw/zinc/12/02/75/361120275.db2.gz SITUCHVSGSTIJY-WCFLWFBJSA-N 2 0 246.358 1.223 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000629528206 361132953 /nfs/dbraw/zinc/13/29/53/361132953.db2.gz SKTPEZBYDVJPEQ-XGFWRYKXSA-N 3 0 237.391 1.105 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H](C)c1cccc(C)c1 ZINC000629528932 361138007 /nfs/dbraw/zinc/13/80/07/361138007.db2.gz NHNTWBZEOGPQRH-CYBMUJFWSA-N 2 0 236.359 1.882 20 0 BDADRP CC[C@H](C)[C@H](C)[NH2+]CCOCC[NH2+]C ZINC000629529286 361138648 /nfs/dbraw/zinc/13/86/48/361138648.db2.gz XTCZQOPBWSJRBQ-QWRGUYRKSA-N 2 0 202.342 1.247 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H](C)C1CCSCC1 ZINC000629530482 361144453 /nfs/dbraw/zinc/14/44/53/361144453.db2.gz HWPCAULCCZCUCI-NSHDSACASA-N 2 0 246.420 1.344 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H](C)Cc1ccoc1 ZINC000629531068 361145628 /nfs/dbraw/zinc/14/56/28/361145628.db2.gz ZFYAZUHRZYHFRZ-LLVKDONJSA-N 2 0 226.320 1.036 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CCC1(C)C ZINC000629531056 361145889 /nfs/dbraw/zinc/14/58/89/361145889.db2.gz YSQAWZJQSUDPEX-SNVBAGLBSA-N 2 0 200.326 1.001 20 0 BDADRP CC(C)CC[C@@H](CO)[NH2+][C@@H](C)CCCC[NH3+] ZINC000629525354 361125936 /nfs/dbraw/zinc/12/59/36/361125936.db2.gz XWWOSZNCVKWUNP-STQMWFEESA-N 2 0 230.396 1.891 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000629526146 361126521 /nfs/dbraw/zinc/12/65/21/361126521.db2.gz LQBOZUYVGBGXHT-IGQOVBAYSA-N 2 0 239.407 1.447 20 0 BDADRP CC(C)[C@H]([NH2+]CC1([NH3+])CCOCC1)C1CC1 ZINC000629525714 361126800 /nfs/dbraw/zinc/12/68/00/361126800.db2.gz ZTTHBTAQLXXDLA-LBPRGKRZSA-N 2 0 226.364 1.519 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000629526036 361127195 /nfs/dbraw/zinc/12/71/95/361127195.db2.gz JHVGZAISZYSROL-WHOHXGKFSA-N 2 0 212.337 1.142 20 0 BDADRP [NH3+]C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)C1CCCC1 ZINC000579024113 366697860 /nfs/dbraw/zinc/69/78/60/366697860.db2.gz BAPBFRBKUFSKDO-AGIUHOORSA-N 2 0 225.380 1.363 20 0 BDADRP C[C@H](CCCCO)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000309810836 491156408 /nfs/dbraw/zinc/15/64/08/491156408.db2.gz YXSHRFSJYPRXRN-CHWSQXEVSA-N 2 0 228.380 1.469 20 0 BDADRP CC(C)[NH2+]CCCN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000579225127 366737307 /nfs/dbraw/zinc/73/73/07/366737307.db2.gz FYPQRTIGVRTUIQ-CHWSQXEVSA-N 2 0 227.396 1.447 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CC1(F)F ZINC000622044079 370675374 /nfs/dbraw/zinc/67/53/74/370675374.db2.gz UIFJDDFKJMTOGK-IVZWLZJFSA-N 2 0 218.291 1.749 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CC1(F)F)C1C[NH2+]C1 ZINC000622043945 370675817 /nfs/dbraw/zinc/67/58/17/370675817.db2.gz PZKQEVWOYJKVJA-CBAPKCEASA-N 2 0 204.264 1.229 20 0 BDADRP CC[N@@H+]1CC[C@@H](NCC[C@H](C)[NH3+])[C@H](C)C1 ZINC000622045683 370679841 /nfs/dbraw/zinc/67/98/41/370679841.db2.gz OFNKNZHENGEGKZ-GRYCIOLGSA-N 2 0 213.369 1.044 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2cn[nH]c2)CC1 ZINC000379722695 361358484 /nfs/dbraw/zinc/35/84/84/361358484.db2.gz JTENMIRZDPYZEZ-NSHDSACASA-N 2 0 236.363 1.792 20 0 BDADRP CC[C@@H](C(=O)NC[C@@H]([NH3+])C(C)C)[NH+](CC)CC ZINC000429166719 201076957 /nfs/dbraw/zinc/07/69/57/201076957.db2.gz WZYSQKRIGFEYNR-NEPJUHHUSA-N 2 0 243.395 1.206 20 0 BDADRP CC[C@H](C(=O)NC[C@H](C)C[NH2+]C)[NH+](CC)CC ZINC000429220711 201081052 /nfs/dbraw/zinc/08/10/52/201081052.db2.gz HLMXVKYWFXYIDV-VXGBXAGGSA-N 2 0 243.395 1.079 20 0 BDADRP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CCOCCC[NH3+])C1 ZINC000629539243 361404770 /nfs/dbraw/zinc/40/47/70/361404770.db2.gz PBKKUSOCXDAAPY-JHJVBQTASA-N 2 0 228.380 1.766 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000429387059 201105985 /nfs/dbraw/zinc/10/59/85/201105985.db2.gz YJPTWDSFHYTXFI-WCQYABFASA-N 2 0 241.379 1.010 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000429387058 201106238 /nfs/dbraw/zinc/10/62/38/201106238.db2.gz YJPTWDSFHYTXFI-DGCLKSJQSA-N 2 0 241.379 1.010 20 0 BDADRP [NH3+]C1(C[NH2+]CCC(=O)Nc2ccccc2)CCC1 ZINC000342131897 181332293 /nfs/dbraw/zinc/33/22/93/181332293.db2.gz MNOZFLUQDAJXOY-UHFFFAOYSA-N 2 0 247.342 1.486 20 0 BDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)C(C)(C)C[NH3+])cc1 ZINC000429504304 201111636 /nfs/dbraw/zinc/11/16/36/201111636.db2.gz LTSKDVDUKTYLNU-SNVBAGLBSA-N 2 0 249.358 1.307 20 0 BDADRP [NH3+]C1(CN[C@H]2CC[NH2+]C2)C2CC3CC(C2)CC1C3 ZINC000333828260 181333176 /nfs/dbraw/zinc/33/31/76/181333176.db2.gz MBQUZZSIVKLSQF-BPHCLYMKSA-N 2 0 249.402 1.092 20 0 BDADRP C[C@@H](Cc1ccoc1)[NH2+]CCOCCC[NH3+] ZINC000629537506 361401093 /nfs/dbraw/zinc/40/10/93/361401093.db2.gz JPVDJIFNMGCROO-NSHDSACASA-N 2 0 226.320 1.166 20 0 BDADRP CCO[C@H](C[NH2+][C@H]1CC[NH2+]CC1(C)C)C1CC1 ZINC000629537700 361401247 /nfs/dbraw/zinc/40/12/47/361401247.db2.gz PVAUUQYKQKGCME-OLZOCXBDSA-N 2 0 240.391 1.779 20 0 BDADRP Cc1cncc([C@@H](C)[NH2+]CCOCCC[NH3+])c1 ZINC000629537686 361401306 /nfs/dbraw/zinc/40/13/06/361401306.db2.gz KOXOOSFRVJYUSP-GFCCVEGCSA-N 2 0 237.347 1.406 20 0 BDADRP [NH3+]CCCOCC[NH2+]C1CCC2(CC2)CC1 ZINC000629538147 361402249 /nfs/dbraw/zinc/40/22/49/361402249.db2.gz MPNOZDDAYJKXRK-UHFFFAOYSA-N 2 0 226.364 1.664 20 0 BDADRP Cc1cc([C@@H](C)[NH2+]CCOCCC[NH3+])oc1C ZINC000629539994 361412858 /nfs/dbraw/zinc/41/28/58/361412858.db2.gz RLZMQIGRWJYDPA-LLVKDONJSA-N 2 0 240.347 1.912 20 0 BDADRP CCC[N@H+](C)CC(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000429588692 201121330 /nfs/dbraw/zinc/12/13/30/201121330.db2.gz LTVBHNRGVHVWCZ-LLVKDONJSA-N 2 0 249.358 1.987 20 0 BDADRP [NH3+]CCCOCC[NH2+][C@@H]1CCCc2occc21 ZINC000629539614 361407143 /nfs/dbraw/zinc/40/71/43/361407143.db2.gz QQNBJZUYKPJZTF-GFCCVEGCSA-N 2 0 238.331 1.612 20 0 BDADRP C[C@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)[C@@H]1CCCC[NH2+]1 ZINC000629540183 361407617 /nfs/dbraw/zinc/40/76/17/361407617.db2.gz NUSKBDNUIIQICJ-XQHKEYJVSA-N 2 0 225.380 1.247 20 0 BDADRP CCC[C@@H](C)CCC[NH2+]C1(CO)CC[NH2+]CC1 ZINC000629547492 361430301 /nfs/dbraw/zinc/43/03/01/361430301.db2.gz TXYHGSYNZDKEKL-CYBMUJFWSA-N 2 0 242.407 1.907 20 0 BDADRP COCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629547124 361430480 /nfs/dbraw/zinc/43/04/80/361430480.db2.gz RPPKCBOJNDQKED-WUHRBBMRSA-N 2 0 226.364 1.532 20 0 BDADRP CCO[C@@H](C[NH+]1CCC(CC[NH3+])CC1)C1CC1 ZINC000629547631 361431315 /nfs/dbraw/zinc/43/13/15/361431315.db2.gz LDQDURWESHYLRX-AWEZNQCLSA-N 2 0 240.391 1.862 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000629547798 361432007 /nfs/dbraw/zinc/43/20/07/361432007.db2.gz UTXCRTYFJALCDB-ODXJTPSBSA-N 2 0 237.391 1.199 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000629548156 361432596 /nfs/dbraw/zinc/43/25/96/361432596.db2.gz XBRHRYWQPDJYRA-PDWCTOEPSA-N 2 0 237.391 1.247 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCN(C)CC(F)F ZINC000629554697 361435288 /nfs/dbraw/zinc/43/52/88/361435288.db2.gz NQBRBZNQWWWJBE-WDEREUQCSA-N 2 0 249.349 1.161 20 0 BDADRP C[C@H]1C[NH+](CCOCC[NH3+])C[C@H](C)C1(F)F ZINC000629552275 361435607 /nfs/dbraw/zinc/43/56/07/361435607.db2.gz GRASXKNWWBAGPK-UWVGGRQHSA-N 2 0 236.306 1.185 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000629555009 361436487 /nfs/dbraw/zinc/43/64/87/361436487.db2.gz PXRYQQCFCFMZGX-FVCCEPFGSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@@H]1C[C@H]1CN1CC2CCC1(C[NH3+])CC2 ZINC000629549634 361441559 /nfs/dbraw/zinc/44/15/59/361441559.db2.gz SWSYMWHNIMHOTR-IGJPJIBNSA-N 2 0 208.349 1.846 20 0 BDADRP CN1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000629551813 361444015 /nfs/dbraw/zinc/44/40/15/361444015.db2.gz XSTVEHIHMGUNOC-RQJABVFESA-N 2 0 237.391 1.058 20 0 BDADRP CN(CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)CC(F)F ZINC000629555358 361447786 /nfs/dbraw/zinc/44/77/86/361447786.db2.gz VIXRZCPURKZACI-NXEZZACHSA-N 2 0 235.322 1.043 20 0 BDADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1cccnc1 ZINC000629541868 361418137 /nfs/dbraw/zinc/41/81/37/361418137.db2.gz SOQGEJCDVWSZNK-LLVKDONJSA-N 2 0 223.320 1.098 20 0 BDADRP C[C@H]1CC[C@@H]([NH2+]C2CCC(C[NH3+])CC2)CN1 ZINC000629542392 361419718 /nfs/dbraw/zinc/41/97/18/361419718.db2.gz YNEXSQLLVGUJCN-YWPUVAFDSA-N 2 0 225.380 1.234 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)C[C@@H](C)CC(C)C ZINC000629572476 361463688 /nfs/dbraw/zinc/46/36/88/361463688.db2.gz ULKYGXYFPTWWCH-ZDUSSCGKSA-N 2 0 230.396 1.836 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)Cc1ccc(C)nc1 ZINC000629572447 361463894 /nfs/dbraw/zinc/46/38/94/361463894.db2.gz SWLGJWOTQZXNPQ-UHFFFAOYSA-N 2 0 237.347 1.058 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)CC1CC(C)(C)C1 ZINC000629572014 361463952 /nfs/dbraw/zinc/46/39/52/361463952.db2.gz MACSQOPDDPCIRS-UHFFFAOYSA-N 2 0 228.380 1.590 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)C[C@H]1CCCC[C@H]1C ZINC000629572331 361463969 /nfs/dbraw/zinc/46/39/69/361463969.db2.gz QLRWXVJIQGVWIL-ZIAGYGMSSA-N 2 0 242.407 1.981 20 0 BDADRP CC(=O)Nc1cccc(C[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000430943540 201160101 /nfs/dbraw/zinc/16/01/01/201160101.db2.gz PKVBSHQVWQSPIX-CYBMUJFWSA-N 2 0 247.342 1.426 20 0 BDADRP COCCCCC[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585009 361473364 /nfs/dbraw/zinc/47/33/64/361473364.db2.gz JOFNAVNMQJBVMH-OKILXGFUSA-N 2 0 240.391 1.735 20 0 BDADRP CCN(CC[NH3+])CCOCC(F)(F)C(F)F ZINC000629557659 361451250 /nfs/dbraw/zinc/45/12/50/361451250.db2.gz AWIRGLOZOKPGKD-UHFFFAOYSA-N 2 0 246.248 1.184 20 0 BDADRP CCN(CC[NH3+])CCOc1c(C)cccc1C ZINC000629557666 361451323 /nfs/dbraw/zinc/45/13/23/361451323.db2.gz BGARIRCOWFRDKZ-UHFFFAOYSA-N 2 0 236.359 1.963 20 0 BDADRP CC[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629561337 361455749 /nfs/dbraw/zinc/45/57/49/361455749.db2.gz ILSWGWYMEDFHDR-SFYZADRCSA-N 2 0 210.243 1.465 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)[C@@H](C)c1ccccc1 ZINC000629565818 361457051 /nfs/dbraw/zinc/45/70/51/361457051.db2.gz HMTMNNPQNMYBKF-ZDUSSCGKSA-N 2 0 236.359 1.915 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)CCc1ccccc1 ZINC000629566235 361457845 /nfs/dbraw/zinc/45/78/45/361457845.db2.gz IMYUJRXJYTWRTQ-UHFFFAOYSA-N 2 0 236.359 1.397 20 0 BDADRP CC[C@@H](C(=O)N(C)CC[C@@H]([NH3+])C(C)C)[NH+](C)C ZINC000629611886 361502650 /nfs/dbraw/zinc/50/26/50/361502650.db2.gz JHJQMBCUOLTVKZ-NEPJUHHUSA-N 2 0 243.395 1.158 20 0 BDADRP Cn1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000629647232 361536633 /nfs/dbraw/zinc/53/66/33/361536633.db2.gz NONKBFWHJWHQJY-MELADBBJSA-N 2 0 233.359 1.584 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]CC[C@H]1CCOC1 ZINC000629655462 361560267 /nfs/dbraw/zinc/56/02/67/361560267.db2.gz XDVSATOSYPPHKP-SDDRHHMPSA-N 2 0 212.337 1.143 20 0 BDADRP COCc1ccc(CNC[C@@H]2CCC[NH2+]C2)o1 ZINC000629647649 361538189 /nfs/dbraw/zinc/53/81/89/361538189.db2.gz DAJFKZOYQNTGGY-LLVKDONJSA-N 2 0 238.331 1.515 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccn(C)c2)C1 ZINC000629647550 361538248 /nfs/dbraw/zinc/53/82/48/361538248.db2.gz ZEPWVRTZKWQOJP-CMPLNLGQSA-N 2 0 207.321 1.194 20 0 BDADRP Cn1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000629655222 361560473 /nfs/dbraw/zinc/56/04/73/361560473.db2.gz UFNHXWLXMNVURE-LSDHHAIUSA-N 2 0 247.386 1.847 20 0 BDADRP CC(C)C[C@@H](C[NH3+])NCc1ccn(C)c1 ZINC000629648342 361541006 /nfs/dbraw/zinc/54/10/06/361541006.db2.gz SUDTWMAVTJBJQK-LBPRGKRZSA-N 2 0 209.337 1.488 20 0 BDADRP COCC(C)(C)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000629650816 361547407 /nfs/dbraw/zinc/54/74/07/361547407.db2.gz FUSMNUZGOHOUMS-LLVKDONJSA-N 2 0 226.364 1.533 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)Cc1cccc(O)c1 ZINC000629652250 361549791 /nfs/dbraw/zinc/54/97/91/361549791.db2.gz DSGCZFUAVQRCNW-UHFFFAOYSA-N 2 0 238.331 1.060 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC3=CCCOC3)C[C@H]21 ZINC000629646700 361532491 /nfs/dbraw/zinc/53/24/91/361532491.db2.gz CHBGIHXVFWPJEL-BFHYXJOUSA-N 2 0 236.359 1.392 20 0 BDADRP OC[C@]12CCC[C@H]1C[N@H+](CC1CC[NH2+]CC1)C2 ZINC000629663756 361595721 /nfs/dbraw/zinc/59/57/21/361595721.db2.gz IXPHFOXSCUODTK-UONOGXRCSA-N 2 0 238.375 1.080 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC1=CCCOC1 ZINC000379739543 361574550 /nfs/dbraw/zinc/57/45/50/361574550.db2.gz ZREMEQCTKKJMGV-QWHCGFSZSA-N 2 0 224.348 1.440 20 0 BDADRP CCOCC[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000161908136 201240383 /nfs/dbraw/zinc/24/03/83/201240383.db2.gz NKUDENWXOTXFOW-NEPJUHHUSA-N 2 0 214.353 1.343 20 0 BDADRP [NH3+]C1CCC([NH2+]Cc2cncs2)CC1 ZINC000054788456 181341095 /nfs/dbraw/zinc/34/10/95/181341095.db2.gz YSTXFIPCYHRKNP-UHFFFAOYSA-N 2 0 211.334 1.503 20 0 BDADRP [NH3+]C1CCC([NH2+]CCN2CCCCCC2)CC1 ZINC000094088156 181341238 /nfs/dbraw/zinc/34/12/38/181341238.db2.gz UWQZPUHUPZPBAW-UHFFFAOYSA-N 2 0 239.407 1.722 20 0 BDADRP [NH3+][C@@H]1C[C@H]1c1ccc(C2=CC[NH2+]CC2)cc1 ZINC000629723488 361664931 /nfs/dbraw/zinc/66/49/31/361664931.db2.gz MPYMKTZEJSFTKC-UONOGXRCSA-N 2 0 214.312 1.878 20 0 BDADRP [NH3+]C[C@H](CO)Cc1cccc(C2=CC[NH2+]CC2)c1 ZINC000629723833 361665706 /nfs/dbraw/zinc/66/57/06/361665706.db2.gz RSWYKISIALLIKE-CYBMUJFWSA-N 2 0 246.354 1.173 20 0 BDADRP C[NH2+][C@@H](CO)c1cccc(C2=CC[NH2+]CC2)c1 ZINC000629723591 361665785 /nfs/dbraw/zinc/66/57/85/361665785.db2.gz PXMHBJFFFPEXDC-AWEZNQCLSA-N 2 0 232.327 1.316 20 0 BDADRP CC[N@H+](CCOCC1CC1)[C@@H]1CCC[NH2+]CC1 ZINC000435627465 201278986 /nfs/dbraw/zinc/27/89/86/201278986.db2.gz NOCXXTQTJYQDBR-CQSZACIVSA-N 2 0 240.391 1.877 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000154472166 201279162 /nfs/dbraw/zinc/27/91/62/201279162.db2.gz MRINAFGAROUDOV-UTUOFQBUSA-N 2 0 214.353 1.220 20 0 BDADRP CC[N@H+](CCCCOC)[C@H]1CCC[NH2+]CC1 ZINC000435614261 201280426 /nfs/dbraw/zinc/28/04/26/201280426.db2.gz LYGXYGZUVGTSLS-ZDUSSCGKSA-N 2 0 228.380 1.877 20 0 BDADRP CCCC[C@@H]([NH3+])C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000154558668 201282680 /nfs/dbraw/zinc/28/26/80/201282680.db2.gz ANAPOPCTAAQWFF-CMPLNLGQSA-N 2 0 241.379 1.103 20 0 BDADRP C[NH2+]CCC[NH2+][C@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000435873144 201290662 /nfs/dbraw/zinc/29/06/62/201290662.db2.gz TYHNYAPAZZVXPW-TZMCWYRMSA-N 2 0 242.407 1.763 20 0 BDADRP C[NH2+]CCC[N@H+](C)[C@H]1C[C@](C)(OC)C1(C)C ZINC000435885750 201295898 /nfs/dbraw/zinc/29/58/98/201295898.db2.gz NTMPZBJGCCQLKC-AAEUAGOBSA-N 2 0 228.380 1.731 20 0 BDADRP C[NH2+]CCC[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000435882042 201296946 /nfs/dbraw/zinc/29/69/46/201296946.db2.gz DCYQYELPPABLKZ-CYBMUJFWSA-N 2 0 248.374 1.425 20 0 BDADRP CS[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000161932849 201304309 /nfs/dbraw/zinc/30/43/09/201304309.db2.gz JPOITCUOWQMBAR-HBNTYKKESA-N 2 0 216.394 1.810 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1ccco1 ZINC000155964846 201376292 /nfs/dbraw/zinc/37/62/92/201376292.db2.gz QLHHBHRJUQJNRZ-YPMHNXCESA-N 2 0 222.332 1.752 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@@]2(O)CCC[C@H]2C)CC1 ZINC000328135323 363848220 /nfs/dbraw/zinc/84/82/20/363848220.db2.gz XXPGVJIYXGZWHU-OCCSQVGLSA-N 2 0 240.391 1.611 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@H]2C[C@@H](CO)C2)CC1 ZINC000631671347 364268709 /nfs/dbraw/zinc/26/87/09/364268709.db2.gz ZXRVZONFZXQODG-BJHJDKERSA-N 2 0 226.364 1.220 20 0 BDADRP C[C@H]1OCC[C@@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000133960781 364380169 /nfs/dbraw/zinc/38/01/69/364380169.db2.gz WOHQUHBXFDHEBR-NEPJUHHUSA-N 2 0 212.337 1.239 20 0 BDADRP [NH3+]CC1CCC([NH2+]C2CCSCC2)CC1 ZINC000335159850 181363950 /nfs/dbraw/zinc/36/39/50/181363950.db2.gz XNIIFCYEIFVAMJ-UHFFFAOYSA-N 2 0 228.405 1.989 20 0 BDADRP CC1(C)C[N@H+](CC2CC[NH2+]CC2)CCS1 ZINC000135077326 364424869 /nfs/dbraw/zinc/42/48/69/364424869.db2.gz YJIXTAQQVIQJKV-UHFFFAOYSA-N 2 0 228.405 1.813 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CC[C@@H](C)O)[C@H](C)C1 ZINC000167742929 364807401 /nfs/dbraw/zinc/80/74/01/364807401.db2.gz QZPAFLRMJJOENJ-IJLUTSLNSA-N 2 0 214.353 1.077 20 0 BDADRP C[C@H](O)CC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000167740769 364807545 /nfs/dbraw/zinc/80/75/45/364807545.db2.gz AJCZZXZBAJNCMJ-NSHDSACASA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H]1CC[C@H](N[C@@H]2CC[N@H+](C)[C@@H](C)C2)C[NH2+]1 ZINC000399080711 364781614 /nfs/dbraw/zinc/78/16/14/364781614.db2.gz RRZGPSISTSJJBD-XQHKEYJVSA-N 2 0 225.380 1.199 20 0 BDADRP COCCNCC[NH2+][C@H]1CCCCC1(C)C ZINC000573460639 364840677 /nfs/dbraw/zinc/84/06/77/364840677.db2.gz KEGGLYZCBBJVJT-LBPRGKRZSA-N 2 0 228.380 1.781 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H](C)CC[NH3+])cc1 ZINC000573682678 364892419 /nfs/dbraw/zinc/89/24/19/364892419.db2.gz QLDXDEKKXOGSEZ-VHSXEESVSA-N 2 0 235.331 1.173 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)C1 ZINC000573696604 364896948 /nfs/dbraw/zinc/89/69/48/364896948.db2.gz KNZDFSMCYAABPQ-MLGHIDQZSA-N 2 0 224.348 1.413 20 0 BDADRP [NH3+][C@H]1CCCc2cn(CCC3CC[NH2+]CC3)nc21 ZINC000573833874 364926994 /nfs/dbraw/zinc/92/69/94/364926994.db2.gz HMMLAAUEBJBQAM-ZDUSSCGKSA-N 2 0 248.374 1.609 20 0 BDADRP CN(C)c1cccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000573934193 364950458 /nfs/dbraw/zinc/95/04/58/364950458.db2.gz RGZOBSJBVMAYKY-NEPJUHHUSA-N 2 0 248.374 1.507 20 0 BDADRP C[C@@H](C[NH3+])N(C)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000574037947 364972027 /nfs/dbraw/zinc/97/20/27/364972027.db2.gz OCKWOSWEDPTUHX-RYUDHWBXSA-N 2 0 241.379 1.057 20 0 BDADRP CC[NH2+]CCCN[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000574440887 365059103 /nfs/dbraw/zinc/05/91/03/365059103.db2.gz PLLZPFDOANPWRD-RYUDHWBXSA-N 2 0 225.380 1.201 20 0 BDADRP COC[C@H](C)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000574749558 365132252 /nfs/dbraw/zinc/13/22/52/365132252.db2.gz KDBCVCJXZUUCLC-CHWSQXEVSA-N 2 0 240.391 1.733 20 0 BDADRP CC(C)[C@@](C)(C[NH3+])[NH2+]CCOC[C@@H]1CCCO1 ZINC000575060265 365182699 /nfs/dbraw/zinc/18/26/99/365182699.db2.gz ARJWHJYZKZGABV-QWHCGFSZSA-N 2 0 244.379 1.145 20 0 BDADRP Cc1cnc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)o1 ZINC000443070710 193012257 /nfs/dbraw/zinc/01/22/57/193012257.db2.gz LHNMHRGIXRTEKS-NSHDSACASA-N 2 0 223.320 1.544 20 0 BDADRP CC[C@@H]([NH3+])C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000575402116 365311249 /nfs/dbraw/zinc/31/12/49/365311249.db2.gz DPWKGPKETONNEN-LLVKDONJSA-N 2 0 221.304 1.082 20 0 BDADRP CCn1ccnc1C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000580536533 365338490 /nfs/dbraw/zinc/33/84/90/365338490.db2.gz PJOPJTBMRLITBM-UHFFFAOYSA-N 2 0 236.363 1.382 20 0 BDADRP CCc1nn(C)c(CC)c1CN(C)CCC[NH3+] ZINC000575988439 365437410 /nfs/dbraw/zinc/43/74/10/365437410.db2.gz LBHHXYHSDDMBSW-UHFFFAOYSA-N 2 0 238.379 1.326 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCOC[C@@H]2CCCO2)C1 ZINC000576002860 365444910 /nfs/dbraw/zinc/44/49/10/365444910.db2.gz FOYNVVVQKXQVLW-AGIUHOORSA-N 2 0 242.363 1.042 20 0 BDADRP [NH3+]CCC[NH2+]C1(c2ccccc2)CCOCC1 ZINC000576209482 365522129 /nfs/dbraw/zinc/52/21/29/365522129.db2.gz YHBZMWJCRVPJCX-UHFFFAOYSA-N 2 0 234.343 1.631 20 0 BDADRP COCC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185702410 367140723 /nfs/dbraw/zinc/14/07/23/367140723.db2.gz ZRNOQLKCFAGNSP-CHWSQXEVSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000580963529 367221262 /nfs/dbraw/zinc/22/12/62/367221262.db2.gz SHLDGJQHHFFLNE-UTUOFQBUSA-N 3 0 213.369 1.363 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)CC[NH2+]C(C)C)c1 ZINC000580893225 367200359 /nfs/dbraw/zinc/20/03/59/367200359.db2.gz YXFWVZVYGJRLOQ-UHFFFAOYSA-N 2 0 249.358 1.780 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000580903462 367203973 /nfs/dbraw/zinc/20/39/73/367203973.db2.gz TWKHWTWNZSTCOA-QNWHQSFQSA-N 3 0 225.380 1.363 20 0 BDADRP C[C@@H]1CCN(Cc2nc(C(C)(C)[NH3+])no2)[C@H]1C ZINC000380662471 367269665 /nfs/dbraw/zinc/26/96/65/367269665.db2.gz AYEBBCHGTBDBJV-BDAKNGLRSA-N 2 0 238.335 1.494 20 0 BDADRP CC[NH2+]CCC[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000581125272 367270275 /nfs/dbraw/zinc/27/02/75/367270275.db2.gz FHVHUXHKTLHIKD-JHJVBQTASA-N 2 0 240.391 1.779 20 0 BDADRP C[NH2+]Cc1ccccc1NC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000581370379 367402202 /nfs/dbraw/zinc/40/22/02/367402202.db2.gz SNBDEPJCUFBJAT-SNVBAGLBSA-N 2 0 247.342 1.485 20 0 BDADRP C[C@@H]([NH2+]CCC[NH2+]C1CC1)C1CCOCC1 ZINC000382581145 367545534 /nfs/dbraw/zinc/54/55/34/367545534.db2.gz MDSVFZVQDPJSHN-LLVKDONJSA-N 2 0 226.364 1.533 20 0 BDADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCC[C@@H]1O ZINC000382384084 367513442 /nfs/dbraw/zinc/51/34/42/367513442.db2.gz KWUKGRHOVGOBNB-IHRRRGAJSA-N 2 0 240.391 1.741 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H](NCC2([NH3+])CCCCCC2)C1 ZINC000581559252 367590722 /nfs/dbraw/zinc/59/07/22/367590722.db2.gz RTORIDBBTUPHMC-CHWSQXEVSA-N 2 0 239.407 1.898 20 0 BDADRP C[C@H]([NH3+])c1ccc(C(=O)N(C)[C@@H](C)C[NH3+])cc1 ZINC000581606627 367630252 /nfs/dbraw/zinc/63/02/52/367630252.db2.gz WPMOKASKPWKRIO-UWVGGRQHSA-N 2 0 235.331 1.126 20 0 BDADRP [NH3+]CCC[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000383939413 367661228 /nfs/dbraw/zinc/66/12/28/367661228.db2.gz KZXGOLXDKKPFTI-HNNXBMFYSA-N 2 0 248.370 1.874 20 0 BDADRP CC(C)COCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000383955133 367662710 /nfs/dbraw/zinc/66/27/10/367662710.db2.gz HBBDOYDDCMVXQT-OKILXGFUSA-N 2 0 240.391 1.590 20 0 BDADRP CC(C)[NH2+]CCCN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000566088419 325992350 /nfs/dbraw/zinc/99/23/50/325992350.db2.gz NALTZXQVVBVBNA-VXGBXAGGSA-N 2 0 213.369 1.092 20 0 BDADRP C[C@H](CC(C)(C)O)[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000385248987 367813723 /nfs/dbraw/zinc/81/37/23/367813723.db2.gz WRVUTMPYGWPXAN-QNWHQSFQSA-N 2 0 242.407 1.854 20 0 BDADRP CCO[C@@H]1C[C@@H]1[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000581720383 367783101 /nfs/dbraw/zinc/78/31/01/367783101.db2.gz PYGDJBGEBGJAPM-FIQHERPVSA-N 2 0 212.337 1.271 20 0 BDADRP C[N@H+](CCOc1ccccc1F)C1CC([NH3+])C1 ZINC000385135079 367798901 /nfs/dbraw/zinc/79/89/01/367798901.db2.gz HPFBZGXMVBKOOY-UHFFFAOYSA-N 2 0 238.306 1.626 20 0 BDADRP C[C@@H](CC(C)(C)C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000385157372 367801957 /nfs/dbraw/zinc/80/19/57/367801957.db2.gz NPOMKKBLYSBKAK-STQMWFEESA-N 2 0 242.407 1.857 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCOC1)[C@H]1CCCC[NH2+]1 ZINC000386091897 367911165 /nfs/dbraw/zinc/91/11/65/367911165.db2.gz IGVNRCQBDQLONM-SDDRHHMPSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H](CO)C1)[C@@H]1CCCC[NH2+]1 ZINC000385956251 367889295 /nfs/dbraw/zinc/88/92/95/367889295.db2.gz DMIXETXWUMXWIN-DGAVXFQQSA-N 2 0 240.391 1.658 20 0 BDADRP C[C@H]([NH2+]CC1(CO)CCCC1)[C@H]1CCCC[NH2+]1 ZINC000386020743 367898746 /nfs/dbraw/zinc/89/87/46/367898746.db2.gz OOYPNPBALUSPCC-QWHCGFSZSA-N 2 0 240.391 1.659 20 0 BDADRP C[C@@H]([NH2+]CCC(C)(C)CO)[C@@H]1CCCC[NH2+]1 ZINC000386025809 367898837 /nfs/dbraw/zinc/89/88/37/367898837.db2.gz PQXKGOKQOMLSHG-NEPJUHHUSA-N 2 0 228.380 1.515 20 0 BDADRP COCC(C)(C)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386547554 367990854 /nfs/dbraw/zinc/99/08/54/367990854.db2.gz GDFMNZYNIAMNQU-VXGBXAGGSA-N 2 0 228.380 1.779 20 0 BDADRP C[C@H]([NH2+]CCCC[NH+](C)C)[C@@H]1CCCC[NH2+]1 ZINC000386576026 367994789 /nfs/dbraw/zinc/99/47/89/367994789.db2.gz NFGZCINXFITQNT-STQMWFEESA-N 3 0 227.396 1.448 20 0 BDADRP CCC[N@H+](CC)CCN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386483526 367979754 /nfs/dbraw/zinc/97/97/54/367979754.db2.gz SNGPCMRPTCYFTE-KBPBESRZSA-N 2 0 241.423 1.839 20 0 BDADRP C[NH2+]Cc1ccccc1NC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000581997741 368100162 /nfs/dbraw/zinc/10/01/62/368100162.db2.gz WRNFNWFDTXGYGX-UWVGGRQHSA-N 2 0 235.331 1.328 20 0 BDADRP CCC(CC)(C[NH3+])C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000446396471 201682872 /nfs/dbraw/zinc/68/28/72/201682872.db2.gz JPCGHGGQIBFOPB-WDEREUQCSA-N 2 0 241.379 1.138 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccncc1 ZINC000086700275 368883668 /nfs/dbraw/zinc/88/36/68/368883668.db2.gz QLPRKLGOIDXUAY-LLVKDONJSA-N 2 0 219.332 1.732 20 0 BDADRP Cc1cc(CNC[C@@H]2CCC[N@H+](C)C2)n(C)n1 ZINC000089183518 368938315 /nfs/dbraw/zinc/93/83/15/368938315.db2.gz HYCOHVFTEFDLTH-LBPRGKRZSA-N 2 0 236.363 1.160 20 0 BDADRP C[N@@H+]1CCCC[C@H](C[NH2+]C2CCOCC2)C1 ZINC000623656372 368993274 /nfs/dbraw/zinc/99/32/74/368993274.db2.gz SSVPHBIYFNJAGY-GFCCVEGCSA-N 2 0 226.364 1.487 20 0 BDADRP [NH3+]CCN1CCC2(CCSCC2)CC1 ZINC000631836524 369079733 /nfs/dbraw/zinc/07/97/33/369079733.db2.gz ASSXLJOKNZNDRH-UHFFFAOYSA-N 2 0 214.378 1.554 20 0 BDADRP Cc1ncccc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631836861 369084506 /nfs/dbraw/zinc/08/45/06/369084506.db2.gz IEIRHZDMSFJHSE-GXFFZTMASA-N 2 0 219.332 1.417 20 0 BDADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]C[C@@H](C)O ZINC000459407341 203277804 /nfs/dbraw/zinc/27/78/04/203277804.db2.gz LXPSYKMCRJPCMG-MCIONIFRSA-N 2 0 242.407 1.857 20 0 BDADRP Cc1cc(C[NH2+]CCCC[N@@H+](C)C2CC2)no1 ZINC000459581979 203306033 /nfs/dbraw/zinc/30/60/33/203306033.db2.gz FCLPIACSDVWKPV-UHFFFAOYSA-N 2 0 237.347 1.947 20 0 BDADRP CCOC[C@H](C)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000459659146 203330578 /nfs/dbraw/zinc/33/05/78/203330578.db2.gz LXOMRUHVAFFJHU-NSHDSACASA-N 2 0 233.315 1.849 20 0 BDADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2CCCOCC2)C1 ZINC000459725010 203342455 /nfs/dbraw/zinc/34/24/55/203342455.db2.gz AWJXLIWBAVECNP-KBPBESRZSA-N 2 0 240.391 1.877 20 0 BDADRP CC[C@@H]1OCC[C@H]1[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000459746820 203354078 /nfs/dbraw/zinc/35/40/78/203354078.db2.gz VJAKRBPJQGIHTK-VTPLQMEGSA-N 2 0 238.375 1.769 20 0 BDADRP C[C@@H]1C[C@H]1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459791005 203371021 /nfs/dbraw/zinc/37/10/21/203371021.db2.gz RLCMJZKPQSGMOW-UPJWGTAASA-N 2 0 210.365 1.964 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@H](F)C1 ZINC000567894632 326278370 /nfs/dbraw/zinc/27/83/70/326278370.db2.gz KMWLZFZSFXMMIU-TUAOUCFPSA-N 2 0 232.343 1.611 20 0 BDADRP Cc1ccncc1CN1C[C@H]([NH3+])C[C@@H]1C ZINC000631862644 369572487 /nfs/dbraw/zinc/57/24/87/369572487.db2.gz RWKVIGNYRAYPGM-CMPLNLGQSA-N 2 0 205.305 1.312 20 0 BDADRP C[C@H](c1cccnc1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252699923 370117150 /nfs/dbraw/zinc/11/71/50/370117150.db2.gz WYJDESBQTYMWOO-UTUOFQBUSA-N 2 0 219.332 1.812 20 0 BDADRP C[C@H]1CC[N@H+](Cc2cccc(O)c2)C[C@H]1C[NH3+] ZINC000253183882 370157969 /nfs/dbraw/zinc/15/79/69/370157969.db2.gz GUKHCDKCVBEHKE-WCQYABFASA-N 2 0 234.343 1.809 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+][C@H]2CC[C@@H](CO)C2)C1 ZINC000568295337 326342987 /nfs/dbraw/zinc/34/29/87/326342987.db2.gz YMBVTIMQPGHXTD-KXNHARMFSA-N 2 0 212.337 1.007 20 0 BDADRP Cc1ncc(CNC[C@@H]2CCC[N@H+](C)C2)n1C ZINC000568414582 326356381 /nfs/dbraw/zinc/35/63/81/326356381.db2.gz OXLDFBFDCDGAMP-LBPRGKRZSA-N 2 0 236.363 1.160 20 0 BDADRP CCn1cc(CC[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cn1 ZINC000621775220 370521775 /nfs/dbraw/zinc/52/17/75/370521775.db2.gz IVMVTYVVQCDKJE-AAEUAGOBSA-N 2 0 236.363 1.115 20 0 BDADRP [NH3+][C@]12CCC[C@H]1CN(CCOCC1CC1)C2 ZINC000621781583 370530305 /nfs/dbraw/zinc/53/03/05/370530305.db2.gz GPRYDWGVROXOEP-STQMWFEESA-N 2 0 224.348 1.226 20 0 BDADRP COCCCCC[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621783171 370532268 /nfs/dbraw/zinc/53/22/68/370532268.db2.gz YBOIERITGPXYNS-STQMWFEESA-N 2 0 226.364 1.616 20 0 BDADRP C[C@H](C[NH2+]Cc1ccc(=O)[nH]c1)C[NH+]1CCCC1 ZINC000631044983 371031666 /nfs/dbraw/zinc/03/16/66/371031666.db2.gz ZZUAWIRWPQKUSY-GFCCVEGCSA-N 2 0 249.358 1.609 20 0 BDADRP C[C@@H]1OCC[C@@H]1CN1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631890874 371095853 /nfs/dbraw/zinc/09/58/53/371095853.db2.gz UFEXHDAMKQVRMW-REWJHTLYSA-N 2 0 238.375 1.485 20 0 BDADRP CO[C@H]1C[C@H]([NH2+][C@H]2C[C@H](C)N(C3CC3)C2)C1 ZINC000623808276 371099570 /nfs/dbraw/zinc/09/95/70/371099570.db2.gz KMTJSXRSVVWGRR-ZPFDUUQYSA-N 2 0 224.348 1.379 20 0 BDADRP Cc1ccc(C[NH2+]CCN2CC[C@H](O)C2)c(C)c1 ZINC000623835926 371119695 /nfs/dbraw/zinc/11/96/95/371119695.db2.gz CVYMCQIKNAWPDS-HNNXBMFYSA-N 2 0 248.370 1.460 20 0 BDADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@@H]1CCCCO1 ZINC000623928211 371155898 /nfs/dbraw/zinc/15/58/98/371155898.db2.gz HYZDGAVUUMICPG-OCCSQVGLSA-N 2 0 238.375 1.796 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000331605700 181640106 /nfs/dbraw/zinc/64/01/06/181640106.db2.gz IEOWMALRJWDCJG-MROQNXINSA-N 2 0 226.364 1.397 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC[C@H](O)C(F)F)CN1C1CC1 ZINC000631216560 372238296 /nfs/dbraw/zinc/23/82/96/372238296.db2.gz LKGUGJHMTMBBOL-KKZNHRDASA-N 2 0 248.317 1.217 20 0 BDADRP C[C@@](C[NH3+])([NH2+]C[C@H]1CCCCO1)C1CC1 ZINC000631823152 372600849 /nfs/dbraw/zinc/60/08/49/372600849.db2.gz XKTFYJCXFZYACF-NEPJUHHUSA-N 2 0 212.337 1.273 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000631823864 372601623 /nfs/dbraw/zinc/60/16/23/372601623.db2.gz PMOQNGJMNMKDAO-AVGNSLFASA-N 2 0 224.348 1.097 20 0 BDADRP C[C@H]1OCC[C@@H]1C[NH+]1CCC(C[NH3+])CC1 ZINC000631821207 372595532 /nfs/dbraw/zinc/59/55/32/372595532.db2.gz RIYRUUKLEAHHIF-ZYHUDNBSSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631822583 372598307 /nfs/dbraw/zinc/59/83/07/372598307.db2.gz IOBZWEQGVQWDTH-IZXDZPFWSA-N 2 0 238.375 1.626 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000631829658 372612701 /nfs/dbraw/zinc/61/27/01/372612701.db2.gz WZYAIWYTKQNGMI-ZOBORPQBSA-N 2 0 240.391 1.861 20 0 BDADRP COC[C@H](C)[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631833816 372616661 /nfs/dbraw/zinc/61/66/61/372616661.db2.gz JIDYAIAIDRTDNK-WDEREUQCSA-N 2 0 200.326 1.225 20 0 BDADRP N[C@@H]1CCCCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000631835086 372619909 /nfs/dbraw/zinc/61/99/09/372619909.db2.gz MBGFYLNQYAKIIX-QWHCGFSZSA-N 2 0 225.380 1.189 20 0 BDADRP N[C@H]1CCCCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000631834875 372620671 /nfs/dbraw/zinc/62/06/71/372620671.db2.gz HOHUINMVUGPJPS-KGLIPLIRSA-N 2 0 239.407 1.579 20 0 BDADRP C[NH2+]CCC[NH+]1CCC(CCF)CC1 ZINC000631837213 372628010 /nfs/dbraw/zinc/62/80/10/372628010.db2.gz PAXYAOGTLZXNAF-UHFFFAOYSA-N 2 0 202.317 1.668 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@H]1C[NH3+] ZINC000631838634 372633353 /nfs/dbraw/zinc/63/33/53/372633353.db2.gz RXFUTSRGOYQZLY-IJLUTSLNSA-N 2 0 212.337 1.082 20 0 BDADRP COc1ccc(CC[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000631842786 372641230 /nfs/dbraw/zinc/64/12/30/372641230.db2.gz FSDDHOORHKTCAZ-TZMCWYRMSA-N 2 0 248.370 1.764 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000631825479 372604127 /nfs/dbraw/zinc/60/41/27/372604127.db2.gz JZEIIXHJZPQYJK-SRVKXCTJSA-N 2 0 212.337 1.082 20 0 BDADRP FC(F)[C@H]1CC[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000631865238 372666524 /nfs/dbraw/zinc/66/65/24/372666524.db2.gz DJRUGGQQJUUDNN-LLVKDONJSA-N 2 0 248.317 1.342 20 0 BDADRP CCC1([NH+](C)C)CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000631865790 372666883 /nfs/dbraw/zinc/66/68/83/372666883.db2.gz OHLFOSOQPFUXBE-ZDUSSCGKSA-N 2 0 239.407 1.402 20 0 BDADRP C(C1CC[NH2+]CC1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631884356 372680169 /nfs/dbraw/zinc/68/01/69/372680169.db2.gz ISLDVCVWIRHDII-KGLIPLIRSA-N 2 0 237.391 1.060 20 0 BDADRP CC1(C)CN(Cc2ccccc2)C[C@H]1[NH3+] ZINC000038531489 372695090 /nfs/dbraw/zinc/69/50/90/372695090.db2.gz CHADVKSJJSWYMX-GFCCVEGCSA-N 2 0 204.317 1.856 20 0 BDADRP C(C[NH+]1CCSCC1)[C@@H]1CC[NH2+]C1 ZINC000084384604 205475234 /nfs/dbraw/zinc/47/52/34/205475234.db2.gz ITUITXIXEVNWJX-JTQLQIEISA-N 2 0 200.351 1.035 20 0 BDADRP CC[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000459734495 206014135 /nfs/dbraw/zinc/01/41/35/206014135.db2.gz CMJJGXCPQQZYMX-FQUUOJAGSA-N 2 0 238.375 1.770 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])CCO1 ZINC000424379562 206038607 /nfs/dbraw/zinc/03/86/07/206038607.db2.gz VQJFCBHBIZSYDV-DDHJBXDOSA-N 2 0 212.337 1.413 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)[C@H]1CCCCC[NH2+]1 ZINC000363688104 168963263 /nfs/dbraw/zinc/96/32/63/168963263.db2.gz QJXUXJGFLHRDEK-NWDGAFQWSA-N 2 0 241.379 1.152 20 0 BDADRP OCCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000371205586 183053831 /nfs/dbraw/zinc/05/38/31/183053831.db2.gz AQHDQRXXVRQBGJ-AWEZNQCLSA-N 2 0 240.391 1.567 20 0 BDADRP O[C@@H](C[NH2+]C[C@@H]1CC=CCC1)C[NH+]1CCCC1 ZINC000045629949 183179282 /nfs/dbraw/zinc/17/92/82/183179282.db2.gz ADAHVVPFFYNZNA-KGLIPLIRSA-N 2 0 238.375 1.389 20 0 BDADRP O[C@@H](C[NH2+][C@@H]1CCC12CCC2)C[NH+]1CCCC1 ZINC000337533450 183179812 /nfs/dbraw/zinc/17/98/12/183179812.db2.gz WJJCQCQQUROCLI-QWHCGFSZSA-N 2 0 238.375 1.365 20 0 BDADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH+](CC)CC ZINC000359248227 169075763 /nfs/dbraw/zinc/07/57/63/169075763.db2.gz HAKRKFSDSFKWBV-GFCCVEGCSA-N 2 0 243.395 1.175 20 0 BDADRP O[C@H](C[NH2+]C[C@@H]1CC=CCC1)C[NH+]1CCCC1 ZINC000045629947 183223750 /nfs/dbraw/zinc/22/37/50/183223750.db2.gz ADAHVVPFFYNZNA-ZIAGYGMSSA-N 2 0 238.375 1.389 20 0 BDADRP CCCN(CC)Cc1nc(C(C)(C)[NH3+])no1 ZINC000043402028 169129088 /nfs/dbraw/zinc/12/90/88/169129088.db2.gz PASFJMNZTWDNLI-UHFFFAOYSA-N 2 0 226.324 1.495 20 0 BDADRP CCC[NH+](CCC)CCCNC(=O)C[C@@H](C)[NH3+] ZINC000340186347 169147885 /nfs/dbraw/zinc/14/78/85/169147885.db2.gz SQVZZEPYCDTLEJ-GFCCVEGCSA-N 2 0 243.395 1.352 20 0 BDADRP CCCN(CCC1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC000359211045 169154156 /nfs/dbraw/zinc/15/41/56/169154156.db2.gz FJSBFVGRYOMAMO-AWEZNQCLSA-N 2 0 239.407 1.450 20 0 BDADRP CCC[NH+]1CCC(N(C)C(=O)C[C@H](C)[NH3+])CC1 ZINC000038100786 169186114 /nfs/dbraw/zinc/18/61/14/169186114.db2.gz NARUPWXCIYHMSC-NSHDSACASA-N 2 0 241.379 1.057 20 0 BDADRP CCC[NH+]1CCC([NH2+]CCn2cccn2)CC1 ZINC000042538632 169187791 /nfs/dbraw/zinc/18/77/91/169187791.db2.gz PKHJMUPRZNAUBG-UHFFFAOYSA-N 2 0 236.363 1.347 20 0 BDADRP CCC[NH+]1CCC(NCC[NH+](CC)CC)CC1 ZINC000019919200 169188934 /nfs/dbraw/zinc/18/89/34/169188934.db2.gz OBWIYVGVRPATMD-UHFFFAOYSA-N 2 0 241.423 1.792 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@@H]2CCOC2)CC1 ZINC000020189909 169188974 /nfs/dbraw/zinc/18/89/74/169188974.db2.gz BKAVFAICXLGJFG-LBPRGKRZSA-N 2 0 226.364 1.487 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H](COC)C2CC2)CC1 ZINC000126065798 169189102 /nfs/dbraw/zinc/18/91/02/169189102.db2.gz SRGLHZSJQBNEJD-AWEZNQCLSA-N 2 0 240.391 1.875 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCOC2(C)C)C1 ZINC000340205430 169208265 /nfs/dbraw/zinc/20/82/65/169208265.db2.gz XLRPLHCBTBMFGD-CHWSQXEVSA-N 2 0 240.391 1.875 20 0 BDADRP CCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000363256495 169210376 /nfs/dbraw/zinc/21/03/76/169210376.db2.gz LGGQIRCURAUPAC-AGIUHOORSA-N 2 0 208.349 1.813 20 0 BDADRP CCCNC(=[NH2+])NC1CC([NH+]2CCCCC2)C1 ZINC000376019306 169210971 /nfs/dbraw/zinc/21/09/71/169210971.db2.gz OVEJQCSZOXCJFR-UHFFFAOYSA-N 2 0 238.379 1.527 20 0 BDADRP CCC[C@@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000309235283 169370120 /nfs/dbraw/zinc/37/01/20/169370120.db2.gz XKCDFLOIWFNLRF-LLVKDONJSA-N 2 0 214.353 1.221 20 0 BDADRP CCC[C@@H]([NH3+])C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000040831330 169389865 /nfs/dbraw/zinc/38/98/65/169389865.db2.gz MHNMVVKCUUSUKV-VXGBXAGGSA-N 2 0 243.395 1.206 20 0 BDADRP CCC[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000037042514 169391618 /nfs/dbraw/zinc/39/16/18/169391618.db2.gz KISDDWZTWDSEIN-CYBMUJFWSA-N 2 0 249.358 1.814 20 0 BDADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@H](C)C[NH+](C)C ZINC000360185003 169398983 /nfs/dbraw/zinc/39/89/83/169398983.db2.gz OMBWHNRIHDACHZ-VXGBXAGGSA-N 2 0 243.395 1.219 20 0 BDADRP CCC[C@@](C)(O)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000309015374 169458053 /nfs/dbraw/zinc/45/80/53/169458053.db2.gz QUEHMJZUNPMINX-NWDGAFQWSA-N 2 0 216.369 1.645 20 0 BDADRP C[NH2+]C1CC[NH+](CCCCCOC)CC1 ZINC000226421004 134365446 /nfs/dbraw/zinc/36/54/46/134365446.db2.gz JUFYAKHRELDVGQ-UHFFFAOYSA-N 2 0 214.353 1.487 20 0 BDADRP CC(C)C[C@@H](C)C[N@H+](C)CCOCC[NH3+] ZINC000301047626 383877594 /nfs/dbraw/zinc/87/75/94/383877594.db2.gz PREGJHUKTDYAOU-GFCCVEGCSA-N 2 0 216.369 1.576 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000643541205 383883584 /nfs/dbraw/zinc/88/35/84/383883584.db2.gz RZVSZPDIODDBAU-RFGFWPKPSA-N 3 0 239.407 1.482 20 0 BDADRP CC[C@@H](O)[C@H](CC)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000313113649 383902798 /nfs/dbraw/zinc/90/27/98/383902798.db2.gz NXFAGOXNDCOFOF-UONOGXRCSA-N 2 0 242.407 1.998 20 0 BDADRP CC[C@@]1(C)CC[N@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000518547196 383997000 /nfs/dbraw/zinc/99/70/00/383997000.db2.gz YDTZXNKERHOTQT-NWDGAFQWSA-N 2 0 214.353 1.079 20 0 BDADRP Cc1n[nH]cc1[C@@H](C)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000643541903 383940339 /nfs/dbraw/zinc/94/03/39/383940339.db2.gz PCDNVGVRGBBJGV-PWSUYJOCSA-N 2 0 236.363 1.901 20 0 BDADRP C[NH+]1CCC(O)(C[NH2+]C2CC3(CCC3)C2)CC1 ZINC000336466448 383958359 /nfs/dbraw/zinc/95/83/59/383958359.db2.gz XTTIAMNPFUIJIR-UHFFFAOYSA-N 2 0 238.375 1.365 20 0 BDADRP Cc1cccc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)n1 ZINC000335849183 384005778 /nfs/dbraw/zinc/00/57/78/384005778.db2.gz GHXKEXOAUCIHDK-CQSZACIVSA-N 2 0 231.343 1.922 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000643545309 384012719 /nfs/dbraw/zinc/01/27/19/384012719.db2.gz YBJMMTYPBHGQTH-OCCSQVGLSA-N 3 0 239.407 1.448 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)CO1 ZINC000401800783 384043446 /nfs/dbraw/zinc/04/34/46/384043446.db2.gz TTXPQCBIOMDRNU-MNOVXSKESA-N 2 0 214.353 1.341 20 0 BDADRP CO[C@@H](CC(C)C)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000642680559 384043490 /nfs/dbraw/zinc/04/34/90/384043490.db2.gz ZCHRIMQSPJKDJY-XQQFMLRXSA-N 2 0 226.364 1.199 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](c2nc([C@@H]3CCC[NH2+]3)no2)C1 ZINC000647156679 384042129 /nfs/dbraw/zinc/04/21/29/384042129.db2.gz LIOWJQQQHPRQAK-AEJSXWLSSA-N 2 0 236.319 1.479 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)CO1 ZINC000647217615 384042363 /nfs/dbraw/zinc/04/23/63/384042363.db2.gz YEQMQQXOJMFATE-PWSUYJOCSA-N 2 0 231.299 1.601 20 0 BDADRP CCOC[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000313250738 384154478 /nfs/dbraw/zinc/15/44/78/384154478.db2.gz SWKHRQJCLCCVFD-ZIAGYGMSSA-N 2 0 240.391 1.877 20 0 BDADRP CC1CC([NH2+][C@H]2CCCN(CCCO)C2)C1 ZINC000449392892 384160786 /nfs/dbraw/zinc/16/07/86/384160786.db2.gz ABFNVHHWXYZENR-CPCZMJQVSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCc2cn(C)cn2)CN1C1CC1 ZINC000313253434 384164067 /nfs/dbraw/zinc/16/40/67/384164067.db2.gz QKNBSZGKQNJTAH-YPMHNXCESA-N 2 0 248.374 1.177 20 0 BDADRP C[NH+](C)C1(CNC(=O)CCC[NH3+])CCCCC1 ZINC000040803216 384164667 /nfs/dbraw/zinc/16/46/67/384164667.db2.gz USICOUFBTQXYRY-UHFFFAOYSA-N 2 0 241.379 1.106 20 0 BDADRP CC[C@H]([NH3+])C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000040809186 384165656 /nfs/dbraw/zinc/16/56/56/384165656.db2.gz UFVIRDAWUUETSN-STQMWFEESA-N 2 0 249.358 1.143 20 0 BDADRP C[C@@H]1OCC[C@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000357851196 384213874 /nfs/dbraw/zinc/21/38/74/384213874.db2.gz NNSXPMXQPHVHAV-QWHCGFSZSA-N 2 0 240.391 1.875 20 0 BDADRP Cn1cc(CCC[NH2+]CCN2CC=CCC2)cn1 ZINC000314697494 384223010 /nfs/dbraw/zinc/22/30/10/384223010.db2.gz CXWRWNVHDYMYDR-UHFFFAOYSA-N 2 0 248.374 1.204 20 0 BDADRP CC(C)C[C@@H]([NH3+])c1noc([C@]2(F)CC[NH2+]C2)n1 ZINC000566216441 384255185 /nfs/dbraw/zinc/25/51/85/384255185.db2.gz WMCGFLWZWQDUOL-KCJUWKMLSA-N 2 0 242.298 1.274 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cccc(O)c3)C[C@H]21 ZINC000228535601 384273700 /nfs/dbraw/zinc/27/37/00/384273700.db2.gz NYESHHZTXMSUHL-NWANDNLSSA-N 2 0 246.354 1.951 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCCOCC1 ZINC000083425558 384304292 /nfs/dbraw/zinc/30/42/92/384304292.db2.gz KDSGSYRXOVCKML-NEPJUHHUSA-N 2 0 214.353 1.485 20 0 BDADRP CC[NH+](CC)CCC[NH2+]C[C@]1(OC)CCOC1 ZINC000401935774 384313841 /nfs/dbraw/zinc/31/38/41/384313841.db2.gz PAAPLLYLMOQQQH-CYBMUJFWSA-N 2 0 244.379 1.113 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCC[C@H]1C ZINC000300023633 384279529 /nfs/dbraw/zinc/27/95/29/384279529.db2.gz HMSGUIDVKUAQSV-WOPDTQHZSA-N 2 0 214.353 1.519 20 0 BDADRP CCN(CC[NH3+])[C@H](C)c1cccc(O)c1 ZINC000221184215 384286976 /nfs/dbraw/zinc/28/69/76/384286976.db2.gz SWYYCZSQFWTQLS-SNVBAGLBSA-N 2 0 208.305 1.734 20 0 BDADRP CCC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173956892 384292433 /nfs/dbraw/zinc/29/24/33/384292433.db2.gz TUOBTOBJJZWJDT-UHFFFAOYSA-N 2 0 240.391 1.973 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+][C@@H](C)CCC[NH3+] ZINC000308801632 384300699 /nfs/dbraw/zinc/30/06/99/384300699.db2.gz DVYNUJLIRNIBFM-CMPLNLGQSA-N 2 0 216.369 1.501 20 0 BDADRP Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cn1 ZINC000228858837 384346039 /nfs/dbraw/zinc/34/60/39/384346039.db2.gz ZHLRSKLQCTZZLG-TZMCWYRMSA-N 2 0 233.359 1.949 20 0 BDADRP C[C@@H]1OCC[C@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000335605270 384374911 /nfs/dbraw/zinc/37/49/11/384374911.db2.gz NRVFOPQULWCCLW-YWPUVAFDSA-N 2 0 226.364 1.626 20 0 BDADRP Cc1nnsc1CN[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000405517061 384399346 /nfs/dbraw/zinc/39/93/46/384399346.db2.gz URKBAHNRXLLSDM-RKDXNWHRSA-N 2 0 226.349 1.062 20 0 BDADRP C(C[N@@H+]1CCC2(CCC2)C1)[C@H]1CC[NH2+]C1 ZINC000335630713 384408891 /nfs/dbraw/zinc/40/88/91/384408891.db2.gz FQUMINJXCWSUKI-GFCCVEGCSA-N 2 0 208.349 1.862 20 0 BDADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCOC)C1 ZINC000174970712 384380727 /nfs/dbraw/zinc/38/07/27/384380727.db2.gz SXXFUOQQODVOKK-LBPRGKRZSA-N 2 0 214.353 1.297 20 0 BDADRP c1cc2cc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)ccc2[nH]1 ZINC000628191171 384450196 /nfs/dbraw/zinc/45/01/96/384450196.db2.gz BMCCACMREPQQGB-KBPBESRZSA-N 2 0 241.338 1.819 20 0 BDADRP CC[N@H+](CCC[NH3+])CCc1ccccc1 ZINC000036731802 384456150 /nfs/dbraw/zinc/45/61/50/384456150.db2.gz YCZRSOZRMZWOID-UHFFFAOYSA-N 2 0 206.333 1.900 20 0 BDADRP CC[N@H+](C[C@H]1CCOC1)C[C@]1(C)CC[NH2+]C1 ZINC000647513883 384428471 /nfs/dbraw/zinc/42/84/71/384428471.db2.gz NFWMBXGGVCMTOG-CHWSQXEVSA-N 2 0 226.364 1.344 20 0 BDADRP CN(Cc1cccnc1)[C@H](C[NH3+])C1CC1 ZINC000036884033 384461770 /nfs/dbraw/zinc/46/17/70/384461770.db2.gz TUYDQWKCIBVXDE-GFCCVEGCSA-N 2 0 205.305 1.251 20 0 BDADRP CC[N@H+](C)C[C@@H]1CCN(Cc2ccc(N)nc2)C1 ZINC000647517986 384495018 /nfs/dbraw/zinc/49/50/18/384495018.db2.gz ZWGVIVTYKXPHLP-ZDUSSCGKSA-N 2 0 248.374 1.268 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@@H]1C)[C@@H](C)O ZINC000449547083 384499562 /nfs/dbraw/zinc/49/95/62/384499562.db2.gz XEAKCDOTOZVJQT-JULQROHOSA-N 2 0 226.364 1.218 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)[C@@H]2[NH2+]CC2(C)C)cc1 ZINC000648146620 384490073 /nfs/dbraw/zinc/49/00/73/384490073.db2.gz WVASGROHFLWLJC-LBPRGKRZSA-N 2 0 247.342 1.343 20 0 BDADRP C[C@H](CCO)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000085128538 384491706 /nfs/dbraw/zinc/49/17/06/384491706.db2.gz PIRXISANJDUUPT-IJLUTSLNSA-N 2 0 214.353 1.112 20 0 BDADRP COC1(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)CCCC1 ZINC000319853986 384515187 /nfs/dbraw/zinc/51/51/87/384515187.db2.gz LGMOUGNTDUVWLS-QWHCGFSZSA-N 2 0 240.391 1.862 20 0 BDADRP C[N@H+](CC[C@H]1CCC[NH+]1C)C[C@@H]1CCCOC1 ZINC000161723015 384518586 /nfs/dbraw/zinc/51/85/86/384518586.db2.gz OQRWKVHAZRFHTH-UONOGXRCSA-N 2 0 240.391 1.829 20 0 BDADRP CCC[NH+]1CCC(C[NH2+][C@H]2CO[C@@H](C)C2)CC1 ZINC000647179768 384530371 /nfs/dbraw/zinc/53/03/71/384530371.db2.gz ODHZMAZPQWSBRY-GXTWGEPZSA-N 2 0 240.391 1.875 20 0 BDADRP CCC[NH+]1CCC(C[NH2+][C@H]2CO[C@H](C)C2)CC1 ZINC000647179771 384532078 /nfs/dbraw/zinc/53/20/78/384532078.db2.gz ODHZMAZPQWSBRY-TZMCWYRMSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1ccncc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000162429023 384557767 /nfs/dbraw/zinc/55/77/67/384557767.db2.gz OEFNOPWAKCZUHM-LLVKDONJSA-N 2 0 205.305 1.171 20 0 BDADRP COC[C@H](C)C[NH2+][C@@H]1CCN2CCCC[C@H]12 ZINC000123827998 384585212 /nfs/dbraw/zinc/58/52/12/384585212.db2.gz RSYLJAPZWCWBLK-JHJVBQTASA-N 2 0 226.364 1.485 20 0 BDADRP Cc1cccc(CC[NH2+][C@H](C)C[C@H](C)[NH3+])n1 ZINC000423090695 384564417 /nfs/dbraw/zinc/56/44/17/384564417.db2.gz YGIXQSNCALWCDJ-CMPLNLGQSA-N 2 0 221.348 1.648 20 0 BDADRP CC(C)CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000037859699 384619638 /nfs/dbraw/zinc/61/96/38/384619638.db2.gz BETFOLDBEPHDFA-LBPRGKRZSA-N 2 0 214.353 1.079 20 0 BDADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CO[C@H](C)C2)CC1 ZINC000647187032 384632261 /nfs/dbraw/zinc/63/22/61/384632261.db2.gz BIYNUPIYLFYSEI-OCCSQVGLSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1CC[C@@H](C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)O1 ZINC000304615864 384600695 /nfs/dbraw/zinc/60/06/95/384600695.db2.gz SIDDUPKRVZDWBZ-AGIUHOORSA-N 2 0 224.348 1.239 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000309610784 384643748 /nfs/dbraw/zinc/64/37/48/384643748.db2.gz MQHKJXGXACTOGV-RWMBFGLXSA-N 2 0 228.380 1.323 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000086729667 384679666 /nfs/dbraw/zinc/67/96/66/384679666.db2.gz CZGHPEDDUAAORV-KIDURHIOSA-N 2 0 212.337 1.413 20 0 BDADRP CO[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)CC1 ZINC000363679151 384685710 /nfs/dbraw/zinc/68/57/10/384685710.db2.gz VMUZAHXTYDLOLF-UONOGXRCSA-N 2 0 240.391 1.972 20 0 BDADRP CO[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)CC1 ZINC000363679153 384685772 /nfs/dbraw/zinc/68/57/72/384685772.db2.gz VMUZAHXTYDLOLF-ZIAGYGMSSA-N 2 0 240.391 1.972 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCN1CC=CCC1 ZINC000359075418 384719797 /nfs/dbraw/zinc/71/97/97/384719797.db2.gz ZIBLBICMTMDSFS-KBPBESRZSA-N 2 0 237.391 1.178 20 0 BDADRP C[C@@H]1C[N@@H+](CCSCC[NH+](C)C)C[C@H](C)O1 ZINC000568270679 384732462 /nfs/dbraw/zinc/73/24/62/384732462.db2.gz NLXXCIBKYXZNTA-TXEJJXNPSA-N 2 0 246.420 1.390 20 0 BDADRP C[C@@H](O)CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000082993028 384733695 /nfs/dbraw/zinc/73/36/95/384733695.db2.gz DUQNWNUTORGVJR-DDHJBXDOSA-N 2 0 214.353 1.076 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC[NH2+]1 ZINC000647547392 384735928 /nfs/dbraw/zinc/73/59/28/384735928.db2.gz UYJVFNKWXRAVIW-RKQHYHRCSA-N 3 0 237.391 1.105 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)c2nccn21 ZINC000335953527 384736034 /nfs/dbraw/zinc/73/60/34/384736034.db2.gz BMIYTZQFCJAVIT-YPMHNXCESA-N 2 0 248.374 1.820 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC[NH2+]1 ZINC000647547390 384736687 /nfs/dbraw/zinc/73/66/87/384736687.db2.gz UYJVFNKWXRAVIW-DHGKCCLASA-N 3 0 237.391 1.105 20 0 BDADRP CC[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000309958571 384744789 /nfs/dbraw/zinc/74/47/89/384744789.db2.gz JXQJRZLVWVEMIZ-XQHKEYJVSA-N 2 0 226.364 1.220 20 0 BDADRP C1[NH2+]C[C@H]2C[C@H]([NH2+][C@H]3CCCC[NH2+]C3)CC[C@H]12 ZINC000647548187 384749506 /nfs/dbraw/zinc/74/95/06/384749506.db2.gz XZFBANQLQCKPNT-SYQHCUMBSA-N 3 0 237.391 1.106 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc2c(c1)ncn2C ZINC000647552261 384758581 /nfs/dbraw/zinc/75/85/81/384758581.db2.gz NUDLTIWKZDTFDM-QWRGUYRKSA-N 2 0 246.358 1.789 20 0 BDADRP CCC[C@H](C)C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000309998705 384770768 /nfs/dbraw/zinc/77/07/68/384770768.db2.gz DAALAVUGFGAKOI-LBPRGKRZSA-N 2 0 228.380 1.469 20 0 BDADRP C[C@H](NC1CC[NH+](C)CC1)[C@H]1CCCC[NH2+]1 ZINC000335026802 384772845 /nfs/dbraw/zinc/77/28/45/384772845.db2.gz ALJPZWWIQNAQTD-WCQYABFASA-N 2 0 225.380 1.201 20 0 BDADRP CC[N@H+](CCC[NH2+]C)C[C@@H]1CCCO1 ZINC000042470415 384815961 /nfs/dbraw/zinc/81/59/61/384815961.db2.gz MVUZXZLMKNTIJN-NSHDSACASA-N 2 0 200.326 1.097 20 0 BDADRP CCO[C@H]1C[C@@H]([N@H+](C)CCOCC[NH3+])C1(C)C ZINC000357103673 384819311 /nfs/dbraw/zinc/81/93/11/384819311.db2.gz KOEDLGSUYIDHJE-NEPJUHHUSA-N 2 0 244.379 1.097 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@H]2CCC[C@@H]2C[NH3+])O1 ZINC000398163897 384823080 /nfs/dbraw/zinc/82/30/80/384823080.db2.gz LTAYRMMKXPPLGP-KKOKHZNYSA-N 2 0 212.337 1.271 20 0 BDADRP [NH3+]Cc1ccc(CNC(=O)C2([NH3+])CCCC2)cc1 ZINC000648201718 384824745 /nfs/dbraw/zinc/82/47/45/384824745.db2.gz GDNBFLFHCZWRQV-UHFFFAOYSA-N 2 0 247.342 1.033 20 0 BDADRP C[C@H](C[NH2+]C[C@@H]1CCSC1)C[NH+](C)C ZINC000308592421 384835346 /nfs/dbraw/zinc/83/53/46/384835346.db2.gz WGWJWZMIPPTZGD-MNOVXSKESA-N 2 0 216.394 1.527 20 0 BDADRP CC[C@@H](CCO)[NH2+][C@H](C)CCCC[NH3+] ZINC000308540724 384794870 /nfs/dbraw/zinc/79/48/70/384794870.db2.gz NWBDLFWQPUCKOJ-MNOVXSKESA-N 2 0 202.342 1.255 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+]C[C@H]1CC[C@@H](C)O1 ZINC000398102151 384804723 /nfs/dbraw/zinc/80/47/23/384804723.db2.gz XUVKQNNEPAYJPZ-GRYCIOLGSA-N 2 0 214.353 1.517 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCSC1 ZINC000220677382 384874414 /nfs/dbraw/zinc/87/44/14/384874414.db2.gz SDAYOXYNBIWXAI-HBNTYKKESA-N 2 0 214.378 1.599 20 0 BDADRP C[C@H](C[NH3+])CNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000557191594 384874606 /nfs/dbraw/zinc/87/46/06/384874606.db2.gz MMGLZROJMVTNDD-YPMHNXCESA-N 2 0 249.358 1.178 20 0 BDADRP c1cn(CC[NH2+]Cc2ccc3[nH]cnc3c2)cn1 ZINC000518272787 384879119 /nfs/dbraw/zinc/87/91/19/384879119.db2.gz PPXUAFBVDGCVDE-UHFFFAOYSA-N 2 0 241.298 1.549 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCOC(F)(F)F ZINC000398207580 384841686 /nfs/dbraw/zinc/84/16/86/384841686.db2.gz CDTAZJGFMMXDAR-DTWKUNHWSA-N 2 0 240.269 1.630 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCOC(F)(F)F ZINC000398207585 384841919 /nfs/dbraw/zinc/84/19/19/384841919.db2.gz CDTAZJGFMMXDAR-RKDXNWHRSA-N 2 0 240.269 1.630 20 0 BDADRP C([C@@H]1CCCOC1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310546218 384864554 /nfs/dbraw/zinc/86/45/54/384864554.db2.gz DSNHWUQGURBLCN-MELADBBJSA-N 2 0 238.375 1.344 20 0 BDADRP CC[C@@H](CO)[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000163987479 384890998 /nfs/dbraw/zinc/89/09/98/384890998.db2.gz HNZZFHSYVRSVSB-ZDEQEGDKSA-N 2 0 226.364 1.268 20 0 BDADRP Cc1cccn2c(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cnc12 ZINC000566230079 384958523 /nfs/dbraw/zinc/95/85/23/384958523.db2.gz FUSWIGNPMODQTM-RYUDHWBXSA-N 3 0 246.358 1.858 20 0 BDADRP [NH3+][C@@H]1CCN(CCCCC2CCOCC2)C1 ZINC000300783188 384920774 /nfs/dbraw/zinc/92/07/74/384920774.db2.gz RVTIPYPCWUQGFL-CYBMUJFWSA-N 2 0 226.364 1.616 20 0 BDADRP c1cc(CCC[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)ccn1 ZINC000257650799 384922030 /nfs/dbraw/zinc/92/20/30/384922030.db2.gz DIIOZTDPGYVLFC-HNNXBMFYSA-N 2 0 245.370 1.700 20 0 BDADRP [NH3+]CCCN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000257759929 384924729 /nfs/dbraw/zinc/92/47/29/384924729.db2.gz VACKPNGXRIXWPA-ZDUSSCGKSA-N 2 0 225.380 1.143 20 0 BDADRP C[C@@H](O)C[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000644522502 384926265 /nfs/dbraw/zinc/92/62/65/384926265.db2.gz JGLUUDJZKLCORA-CYBMUJFWSA-N 2 0 228.380 1.469 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCc1ccc(F)c(F)c1 ZINC000258751819 384939421 /nfs/dbraw/zinc/93/94/21/384939421.db2.gz ADFNZPNAWBIPRR-OLZOCXBDSA-N 2 0 240.297 1.977 20 0 BDADRP Cc1ccc(C[NH2+]C[C@@H](C)C[NH3+])cc1C ZINC000258741680 384940539 /nfs/dbraw/zinc/94/05/39/384940539.db2.gz KZFLYEMKAGWVJI-JTQLQIEISA-N 2 0 206.333 1.988 20 0 BDADRP c1cncc(C[NH2+]CC[C@H]2CCC[NH2+]C2)c1 ZINC000258810594 384940648 /nfs/dbraw/zinc/94/06/48/384940648.db2.gz UHTRRHUYAGDOCS-GFCCVEGCSA-N 2 0 219.332 1.561 20 0 BDADRP Cc1ccc(C)c(C[NH2+]C[C@H](C)C[NH3+])c1 ZINC000258760866 384941251 /nfs/dbraw/zinc/94/12/51/384941251.db2.gz NCEGJIDBQHWNDS-LLVKDONJSA-N 2 0 206.333 1.988 20 0 BDADRP COCCC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000259377641 384960273 /nfs/dbraw/zinc/96/02/73/384960273.db2.gz VWDWOECSOYXCBK-ZDUSSCGKSA-N 2 0 226.364 1.344 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCc1cccc(F)c1 ZINC000259026910 384960321 /nfs/dbraw/zinc/96/03/21/384960321.db2.gz OOSWRNXEAWWVHD-OLZOCXBDSA-N 2 0 222.307 1.838 20 0 BDADRP Fc1ccc(CNC[C@@H]2C[NH2+]CCO2)c(F)c1 ZINC000258900268 384942879 /nfs/dbraw/zinc/94/28/79/384942879.db2.gz LAEAXXCITNPDET-NSHDSACASA-N 2 0 242.269 1.043 20 0 BDADRP c1cncc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000127952028 384968202 /nfs/dbraw/zinc/96/82/02/384968202.db2.gz NNGFNXBMGMWBOO-LSDHHAIUSA-N 2 0 245.370 1.841 20 0 BDADRP COC[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000226438068 385021946 /nfs/dbraw/zinc/02/19/46/385021946.db2.gz DJWXGWALWMAJOS-CHWSQXEVSA-N 2 0 226.364 1.344 20 0 BDADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@](C)(O)CC)C1 ZINC000249428414 384985303 /nfs/dbraw/zinc/98/53/03/384985303.db2.gz YOLRWPQHFYBJCG-UONOGXRCSA-N 2 0 242.407 1.811 20 0 BDADRP CC[C@H]1CCCC[N@@H+]1C[C@H](O)CN(C)C1CC1 ZINC000310331595 384988456 /nfs/dbraw/zinc/98/84/56/384988456.db2.gz KEBUNFJGQSXZFA-GXTWGEPZSA-N 2 0 240.391 1.706 20 0 BDADRP CC[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000644588781 384990587 /nfs/dbraw/zinc/99/05/87/384990587.db2.gz UFEXGGTVMBMSQI-QWHCGFSZSA-N 2 0 228.380 1.325 20 0 BDADRP COC[C@@H](C)C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000249894083 385007126 /nfs/dbraw/zinc/00/71/26/385007126.db2.gz RDRKDGINXGQPTI-KBPBESRZSA-N 2 0 242.407 1.979 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C(C)C ZINC000310367241 385008062 /nfs/dbraw/zinc/00/80/62/385008062.db2.gz WNBJQRLDPRZVHT-MELADBBJSA-N 2 0 240.391 1.874 20 0 BDADRP CC(C)COCC[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000226468286 385016494 /nfs/dbraw/zinc/01/64/94/385016494.db2.gz QLQQNTHCTRWGKR-ZDUSSCGKSA-N 2 0 228.380 1.733 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCN(Cc2ccns2)C1 ZINC000404488412 385019664 /nfs/dbraw/zinc/01/96/64/385019664.db2.gz FFZFMBSSJAPNEM-DTWKUNHWSA-N 2 0 211.334 1.312 20 0 BDADRP C[C@@H]1C[C@H](N(C)C[C@@H]2CCC[NH2+]C2)CC[N@@H+]1C ZINC000226439714 385020546 /nfs/dbraw/zinc/02/05/46/385020546.db2.gz GFRGGDJNIFQADD-MGPQQGTHSA-N 2 0 239.407 1.401 20 0 BDADRP C[N@H+](CC[C@H]1CC[NH2+]C1)C[C@H]1CCC[NH+](C)C1 ZINC000259128598 384961283 /nfs/dbraw/zinc/96/12/83/384961283.db2.gz WMUPMUNUZQPUTQ-KGLIPLIRSA-N 3 0 239.407 1.260 20 0 BDADRP Cc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)cn1 ZINC000404757442 385051383 /nfs/dbraw/zinc/05/13/83/385051383.db2.gz AIVHMHXHSBFHAY-RYUDHWBXSA-N 2 0 219.332 1.605 20 0 BDADRP COc1ccc(C[NH2+]C[C@H](C)C[NH+](C)C)cc1 ZINC000291663480 385084234 /nfs/dbraw/zinc/08/42/34/385084234.db2.gz FILRZXZYMKGOKD-LBPRGKRZSA-N 2 0 236.359 1.983 20 0 BDADRP CCn1nccc1C[NH+]1CCC(C[NH2+]C)CC1 ZINC000157076378 385063600 /nfs/dbraw/zinc/06/36/00/385063600.db2.gz IVZCOOMSCTVHBV-UHFFFAOYSA-N 2 0 236.363 1.334 20 0 BDADRP CCn1nccc1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000157066583 385066574 /nfs/dbraw/zinc/06/65/74/385066574.db2.gz RXAUPBHIKBLDIR-NSHDSACASA-N 2 0 236.363 1.462 20 0 BDADRP Cc1cnccc1C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000404795525 385071802 /nfs/dbraw/zinc/07/18/02/385071802.db2.gz SRQOTAVRTJZVKN-NEPJUHHUSA-N 2 0 219.332 1.605 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](CO)c1ccccc1 ZINC000310456913 385073553 /nfs/dbraw/zinc/07/35/53/385073553.db2.gz ZKYGCFIABWVKFY-OCCSQVGLSA-N 2 0 236.359 1.827 20 0 BDADRP C1CC1[C@H]1CC[C@H]1[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423543436 385024987 /nfs/dbraw/zinc/02/49/87/385024987.db2.gz BVMKTESVILOPQP-YNEHKIRRSA-N 2 0 208.349 1.907 20 0 BDADRP CC[C@@H](O)C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000644633635 385032578 /nfs/dbraw/zinc/03/25/78/385032578.db2.gz OMBQEACXVSHCHE-CYBMUJFWSA-N 2 0 226.364 1.221 20 0 BDADRP CC[C@@H](O)C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000644636773 385035965 /nfs/dbraw/zinc/03/59/65/385035965.db2.gz NTPYBISDQWYNPJ-WXRRBKDZSA-N 2 0 226.364 1.364 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1cccnc1 ZINC000086700304 385039095 /nfs/dbraw/zinc/03/90/95/385039095.db2.gz GUHJZTRIRUXXLH-LLVKDONJSA-N 2 0 219.332 1.732 20 0 BDADRP CC(C)C[C@@H]([NH3+])c1noc(C[C@H]2CC[NH2+]C2)n1 ZINC000647133008 385046873 /nfs/dbraw/zinc/04/68/73/385046873.db2.gz JMHOGMFEXYUTJP-NXEZZACHSA-N 2 0 238.335 1.268 20 0 BDADRP C[C@H]1C[C@H]([NH2+][C@H]2CCCOC2)CCN1C ZINC000309148166 385108038 /nfs/dbraw/zinc/10/80/38/385108038.db2.gz VRXIGMVXZWRJLO-TUAOUCFPSA-N 2 0 212.337 1.238 20 0 BDADRP C(C[N@@H+]1CCC[C@@H]2CCC[C@@H]21)N1CC[NH2+]CC1 ZINC000227167822 385101293 /nfs/dbraw/zinc/10/12/93/385101293.db2.gz XYLYITNETPZYED-KBPBESRZSA-N 2 0 237.391 1.156 20 0 BDADRP CCCC[NH+]1CCC([NH2+][C@H](C)CCC[NH3+])CC1 ZINC000310534513 385101744 /nfs/dbraw/zinc/10/17/44/385101744.db2.gz OWVKCJJAEFYEDL-CYBMUJFWSA-N 2 0 241.423 1.968 20 0 BDADRP CN(C[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]2C1)C1CC1 ZINC000310527199 385105278 /nfs/dbraw/zinc/10/52/78/385105278.db2.gz XHWUOUHPZZIDLL-OBJOEFQTSA-N 2 0 238.375 1.173 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]C[C@@](C)(O)C(C)C)CC1 ZINC000178122866 385186098 /nfs/dbraw/zinc/18/60/98/385186098.db2.gz QBOMQTSMFUXJHT-CQSZACIVSA-N 2 0 242.407 1.856 20 0 BDADRP C[C@H](CCCC[NH3+])NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000647051716 385193035 /nfs/dbraw/zinc/19/30/35/385193035.db2.gz VSHBAZAXIMUYGT-NEPJUHHUSA-N 2 0 241.379 1.152 20 0 BDADRP CC[C@H](N[C@H](C)C[NH+](CC)CC)[C@@H]1CCC[NH2+]1 ZINC000422720518 385194688 /nfs/dbraw/zinc/19/46/88/385194688.db2.gz SPEXUQWKTCDXER-RDBSUJKOSA-N 2 0 241.423 1.837 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422715475 385195073 /nfs/dbraw/zinc/19/50/73/385195073.db2.gz MHVAQNMIELSCDK-MELADBBJSA-N 2 0 241.423 1.966 20 0 BDADRP CC[NH+](CC)C[C@@H](C)N[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422712557 385198581 /nfs/dbraw/zinc/19/85/81/385198581.db2.gz INWDJZKYMWWXOZ-FRRDWIJNSA-N 2 0 227.396 1.447 20 0 BDADRP Cc1ccncc1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000227423954 385145028 /nfs/dbraw/zinc/14/50/28/385145028.db2.gz LEDYLPMGEMEOQK-STQMWFEESA-N 2 0 233.359 1.949 20 0 BDADRP CC1(C)COC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000313014948 385147750 /nfs/dbraw/zinc/14/77/50/385147750.db2.gz WZUUOYDAZPPBIS-UPJWGTAASA-N 2 0 238.375 1.628 20 0 BDADRP C1CC12C[C@@H]2[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000424370096 385151151 /nfs/dbraw/zinc/15/11/51/385151151.db2.gz CQWAEUVCAKKULF-RVMXOQNASA-N 2 0 236.359 1.286 20 0 BDADRP C1CC12C[C@H]2[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000424370097 385152107 /nfs/dbraw/zinc/15/21/07/385152107.db2.gz CQWAEUVCAKKULF-WUHRBBMRSA-N 2 0 236.359 1.286 20 0 BDADRP [NH3+]CCC[N@@H+](Cc1ccccc1)C[C@H]1CCOC1 ZINC000230001137 385157289 /nfs/dbraw/zinc/15/72/89/385157289.db2.gz CTNYPMQFSNATPF-OAHLLOKOSA-N 2 0 248.370 1.874 20 0 BDADRP C[N@H+](CCc1ccccn1)C[C@@H]1CCC[NH+](C)C1 ZINC000152427072 385180953 /nfs/dbraw/zinc/18/09/53/385180953.db2.gz LWTIZKUZKRJYCP-CQSZACIVSA-N 2 0 247.386 1.898 20 0 BDADRP CC[N@H+](C)Cc1cccc(CNC(=O)[C@H](C)[NH3+])c1 ZINC000165953870 385210906 /nfs/dbraw/zinc/21/09/06/385210906.db2.gz QHCXMEOCGUUYGZ-NSHDSACASA-N 2 0 249.358 1.102 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@H]1CCC[NH+]1C ZINC000252712656 385214248 /nfs/dbraw/zinc/21/42/48/385214248.db2.gz MZQCBTLRXTZREW-UPJWGTAASA-N 2 0 225.380 1.010 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)C[C@H]2CCC[NH2+]2)cc1 ZINC000178249731 385215519 /nfs/dbraw/zinc/21/55/19/385215519.db2.gz CENFDGNPZIUPOH-GXFFZTMASA-N 2 0 247.342 1.787 20 0 BDADRP COC(C)(C)[C@H](C)[NH2+]CCN1CCCC1 ZINC000301031655 385235044 /nfs/dbraw/zinc/23/50/44/385235044.db2.gz VDPZIYIYKSVXHO-NSHDSACASA-N 2 0 214.353 1.485 20 0 BDADRP Cc1cnn(CC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000336691754 385249350 /nfs/dbraw/zinc/24/93/50/385249350.db2.gz HEGRMUVDNYNBSV-OLZOCXBDSA-N 2 0 236.363 1.121 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C)CC[N@@H+]1C ZINC000178429283 385258632 /nfs/dbraw/zinc/25/86/32/385258632.db2.gz IPCUVCUCRHZGBG-FRRDWIJNSA-N 2 0 242.407 1.856 20 0 BDADRP CCN(C)CC[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000130542750 385260655 /nfs/dbraw/zinc/26/06/55/385260655.db2.gz ZRZZNSVOLSOVJC-LBPRGKRZSA-N 2 0 236.359 1.865 20 0 BDADRP C[NH+](C)CCCC[NH2+]Cc1ccncc1 ZINC000045598337 385269852 /nfs/dbraw/zinc/26/98/52/385269852.db2.gz JAMPETNFZRRUFB-UHFFFAOYSA-N 2 0 207.321 1.513 20 0 BDADRP COC[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)C1CC1 ZINC000308902999 385274576 /nfs/dbraw/zinc/27/45/76/385274576.db2.gz KQPVYRUOAKCURK-PWSUYJOCSA-N 2 0 214.353 1.199 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc(N)nc2)CC1 ZINC000647491932 385290398 /nfs/dbraw/zinc/29/03/98/385290398.db2.gz ZWTKNJQLCKTUBN-SNVBAGLBSA-N 2 0 234.347 1.053 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000157840286 385296372 /nfs/dbraw/zinc/29/63/72/385296372.db2.gz WAFJYAZLLNGTOU-WOPDTQHZSA-N 2 0 241.379 1.103 20 0 BDADRP COC[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000019904391 385297893 /nfs/dbraw/zinc/29/78/93/385297893.db2.gz RCSVQWFNWFIBJH-LLVKDONJSA-N 2 0 214.353 1.484 20 0 BDADRP COCCC[C@H](C)[NH2+]C[C@H](C)N(C)C1CC1 ZINC000178784285 385332479 /nfs/dbraw/zinc/33/24/79/385332479.db2.gz HNEKEXWJPGCOGK-RYUDHWBXSA-N 2 0 228.380 1.874 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000644735036 385351366 /nfs/dbraw/zinc/35/13/66/385351366.db2.gz QLSJSCSRPQSZQF-ZIAGYGMSSA-N 2 0 239.407 1.354 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000644735019 385352019 /nfs/dbraw/zinc/35/20/19/385352019.db2.gz QLSJSCSRPQSZQF-KBPBESRZSA-N 2 0 239.407 1.354 20 0 BDADRP C[NH+](C)C1(CN[C@@H]2CCC[C@@H]2C[NH3+])CCC1 ZINC000165169375 385358180 /nfs/dbraw/zinc/35/81/80/385358180.db2.gz ICZJRZDZSFWYFR-VXGBXAGGSA-N 3 0 225.380 1.188 20 0 BDADRP CO[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000400168273 385326717 /nfs/dbraw/zinc/32/67/17/385326717.db2.gz MCXUCKVLLWXSAE-FZMZJTMJSA-N 2 0 238.375 1.485 20 0 BDADRP Cc1ccc(NC(=O)[C@@H](C)[NH3+])c(C[NH+](C)C)c1 ZINC000168924606 385392543 /nfs/dbraw/zinc/39/25/43/385392543.db2.gz NZHKBKLBDUMDHW-SNVBAGLBSA-N 2 0 235.331 1.342 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000405249345 385399108 /nfs/dbraw/zinc/39/91/08/385399108.db2.gz IZBUJABJPKLUGP-IJLUTSLNSA-N 2 0 226.364 1.661 20 0 BDADRP CC[C@@H]1CN(CC[NH2+]C(C)(C)C)CC[C@@H]1[NH3+] ZINC000647497834 385408373 /nfs/dbraw/zinc/40/83/73/385408373.db2.gz WYYNXAKOLKMDLY-NEPJUHHUSA-N 2 0 227.396 1.434 20 0 BDADRP CC[C@@H]1CN(Cc2n[nH]cc2C)CC[C@H]1[NH3+] ZINC000647497501 385409859 /nfs/dbraw/zinc/40/98/59/385409859.db2.gz JOXNAOWBYQXPLZ-GHMZBOCLSA-N 2 0 222.336 1.277 20 0 BDADRP C[C@H]([NH2+]CCC[NH+](C)C)[C@@H]1CCCOC1 ZINC000309088228 385412072 /nfs/dbraw/zinc/41/20/72/385412072.db2.gz AFPNEIYTBQNUKE-NWDGAFQWSA-N 2 0 214.353 1.343 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)[C@H]1C ZINC000309093029 385413961 /nfs/dbraw/zinc/41/39/61/385413961.db2.gz BWFGOBDUUKZOTJ-NTZNESFSSA-N 2 0 208.349 1.882 20 0 BDADRP CC[C@H]1CN(Cc2c[nH]nc2C)CC[C@H]1[NH3+] ZINC000647498435 385420280 /nfs/dbraw/zinc/42/02/80/385420280.db2.gz HBYCHEXNADCWDL-CMPLNLGQSA-N 2 0 222.336 1.277 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)O1 ZINC000405287713 385448780 /nfs/dbraw/zinc/44/87/80/385448780.db2.gz HIORGWXNWOFIDT-CHWFTXMASA-N 2 0 212.337 1.269 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCOc1ccccc1 ZINC000405285596 385452144 /nfs/dbraw/zinc/45/21/44/385452144.db2.gz FXDBFMNTBHJGAP-CHWSQXEVSA-N 2 0 234.343 1.781 20 0 BDADRP C([C@@H]1CCCCO1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257745226 385496208 /nfs/dbraw/zinc/49/62/08/385496208.db2.gz ZOBYPZWTSWLLOR-KBPBESRZSA-N 2 0 238.375 1.631 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000309294111 385512986 /nfs/dbraw/zinc/51/29/86/385512986.db2.gz WTSHUQGCTKNJSU-QWHCGFSZSA-N 2 0 227.396 1.435 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)CCC[NH3+])C[NH+]1CCCC1 ZINC000309294108 385514478 /nfs/dbraw/zinc/51/44/78/385514478.db2.gz WTSHUQGCTKNJSU-OLZOCXBDSA-N 2 0 227.396 1.435 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+]C2CSC2)CC1 ZINC000258052390 385529545 /nfs/dbraw/zinc/52/95/45/385529545.db2.gz KBOMJYDHHGLQET-VIFPVBQESA-N 2 0 200.351 1.176 20 0 BDADRP CS[C@@H]1CC[C@H]1[NH2+][C@@H](C)CC[NH+](C)C ZINC000336644460 385542883 /nfs/dbraw/zinc/54/28/83/385542883.db2.gz ALOSZZNCZVNSNL-HBNTYKKESA-N 2 0 216.394 1.810 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CC1(N(C)C)CCCC1 ZINC000309389316 385560449 /nfs/dbraw/zinc/56/04/49/385560449.db2.gz HITFEWIKQONWDJ-GFCCVEGCSA-N 2 0 227.396 1.578 20 0 BDADRP CC[NH+](CC)CCN1CC[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000365008280 385563022 /nfs/dbraw/zinc/56/30/22/385563022.db2.gz KJZDYQLGXNEBFB-KGLIPLIRSA-N 2 0 239.407 1.354 20 0 BDADRP Cn1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000250614388 385603988 /nfs/dbraw/zinc/60/39/88/385603988.db2.gz AWBOTEDFUAKKNQ-KGLIPLIRSA-N 2 0 233.359 1.742 20 0 BDADRP CC[NH+](CC)CCC[NH2+]CC[C@@H]1CCOC1 ZINC000309479661 385605751 /nfs/dbraw/zinc/60/57/51/385605751.db2.gz SRQBONUUMYHTTB-CYBMUJFWSA-N 2 0 228.380 1.735 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC2CCOCC2)C1 ZINC000082645560 385627116 /nfs/dbraw/zinc/62/71/16/385627116.db2.gz HZUHCUBNNLRXTF-WCQYABFASA-N 2 0 226.364 1.472 20 0 BDADRP C[C@@H]([NH2+]Cc1cccnc1)[C@@H]1CCC[NH2+]C1 ZINC000414850115 385630763 /nfs/dbraw/zinc/63/07/63/385630763.db2.gz HQLREJIQJDKYRL-DGCLKSJQSA-N 2 0 219.332 1.559 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCC[C@H](CO)C1 ZINC000336676848 385607183 /nfs/dbraw/zinc/60/71/83/385607183.db2.gz VQOCUUIBWFFESE-FRRDWIJNSA-N 2 0 228.380 1.645 20 0 BDADRP CCC1(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)COC1 ZINC000393984395 385608923 /nfs/dbraw/zinc/60/89/23/385608923.db2.gz JBUHAJUAUVEQOK-NEPJUHHUSA-N 2 0 226.364 1.533 20 0 BDADRP CC(C)[NH+]1CCN(CCC[N@H+](C)C2CC2)CC1 ZINC000337340516 385610007 /nfs/dbraw/zinc/61/00/07/385610007.db2.gz STOXNJAGODQLTQ-UHFFFAOYSA-N 2 0 239.407 1.497 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](C)N1CCCC1CC[NH2+]CC1 ZINC000647910671 385649077 /nfs/dbraw/zinc/64/90/77/385649077.db2.gz UTQWTQUUEPNJPL-BETUJISGSA-N 2 0 239.407 1.448 20 0 BDADRP CC1(C)CC([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000309517033 385649356 /nfs/dbraw/zinc/64/93/56/385649356.db2.gz YYRHCJVNMARZHG-GFCCVEGCSA-N 2 0 226.364 1.221 20 0 BDADRP CN(CCC[NH+]1CCCC1)Cc1ccno1 ZINC000281507549 385676608 /nfs/dbraw/zinc/67/66/08/385676608.db2.gz YMWMNDBRTKJLHW-UHFFFAOYSA-N 2 0 223.320 1.592 20 0 BDADRP CC[N@H+](CCCO)CCC1CC[NH2+]CC1 ZINC000309546194 385679577 /nfs/dbraw/zinc/67/95/77/385679577.db2.gz BQPMDDZSZHWOIA-UHFFFAOYSA-N 2 0 214.353 1.080 20 0 BDADRP Cc1ncccc1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414855484 385701415 /nfs/dbraw/zinc/70/14/15/385701415.db2.gz WRASOWXJIYVQHI-CYBMUJFWSA-N 2 0 233.359 1.869 20 0 BDADRP C[C@H]([NH2+]CCC[NH+](C)C)c1cccc(CO)c1 ZINC000270476843 385709595 /nfs/dbraw/zinc/70/95/95/385709595.db2.gz JYLVLJMTIGEKNO-LBPRGKRZSA-N 2 0 236.359 1.781 20 0 BDADRP C[C@H](CN1CCCCC1)[NH2+][C@@H](C)CCC[NH3+] ZINC000336684509 385670908 /nfs/dbraw/zinc/67/09/08/385670908.db2.gz ZOECSSVFIQOQKJ-QWHCGFSZSA-N 2 0 227.396 1.578 20 0 BDADRP Cc1cncc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647793799 385731624 /nfs/dbraw/zinc/73/16/24/385731624.db2.gz IROBEXOSXCEWHP-RBSFLKMASA-N 2 0 245.370 1.868 20 0 BDADRP Fc1cccnc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647794157 385733162 /nfs/dbraw/zinc/73/31/62/385733162.db2.gz SEDCIVXFVBRMFH-SDDRHHMPSA-N 2 0 249.333 1.698 20 0 BDADRP C[NH2+]CCCN[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000414858213 385734124 /nfs/dbraw/zinc/73/41/24/385734124.db2.gz IDOQGPVIYPIDLP-HUUCEWRRSA-N 2 0 247.386 1.679 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000414860711 385743054 /nfs/dbraw/zinc/74/30/54/385743054.db2.gz QIYZDKXSDGUWNR-IJLUTSLNSA-N 2 0 224.348 1.143 20 0 BDADRP C[NH2+]Cc1cccc(NC[C@@H]2CCC[NH2+]C2)c1 ZINC000414864288 385766888 /nfs/dbraw/zinc/76/68/88/385766888.db2.gz KCBQCTYBYFLHLP-CYBMUJFWSA-N 2 0 233.359 1.818 20 0 BDADRP CCC[NH2+]CC[NH2+]C[C@H]1CCO[C@@H](CC)C1 ZINC000414865482 385769394 /nfs/dbraw/zinc/76/93/94/385769394.db2.gz FPLIRUOBICVXJD-STQMWFEESA-N 2 0 228.380 1.781 20 0 BDADRP c1n[nH]cc1CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000310972361 385778820 /nfs/dbraw/zinc/77/88/20/385778820.db2.gz RLYOGDNZKLGVFY-KGLIPLIRSA-N 2 0 248.374 1.416 20 0 BDADRP C[NH2+]CCC[NH2+]C1CCC2(CCOCC2)CC1 ZINC000414856910 385722360 /nfs/dbraw/zinc/72/23/60/385722360.db2.gz BLOOQNDNHUTUJG-UHFFFAOYSA-N 2 0 240.391 1.925 20 0 BDADRP COCC[C@H](C)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647799990 385801649 /nfs/dbraw/zinc/80/16/49/385801649.db2.gz WBSKPPGNLGRXHC-RFQIPJPRSA-N 2 0 240.391 1.637 20 0 BDADRP COCC[C@H](C)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647799991 385802527 /nfs/dbraw/zinc/80/25/27/385802527.db2.gz WBSKPPGNLGRXHC-XDQVBPFNSA-N 2 0 240.391 1.637 20 0 BDADRP COc1ccccc1C[C@@H](C)[NH2+]C[C@@H](C)C[NH3+] ZINC000336713167 385807359 /nfs/dbraw/zinc/80/73/59/385807359.db2.gz OFLDRIRUZXMPLC-NWDGAFQWSA-N 2 0 236.359 1.811 20 0 BDADRP CC(C)CC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000521426620 385814093 /nfs/dbraw/zinc/81/40/93/385814093.db2.gz JOMMKFXASQDQEJ-MJBXVCDLSA-N 2 0 242.407 1.856 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)CCO1 ZINC000414950195 385816753 /nfs/dbraw/zinc/81/67/53/385816753.db2.gz FZXMFPLQYGYRMW-AAVRWANBSA-N 2 0 240.391 1.779 20 0 BDADRP C[NH2+][C@H](C)CNC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000261681372 385827456 /nfs/dbraw/zinc/82/74/56/385827456.db2.gz HOGBHBHQTYRSJS-WZRBSPASSA-N 2 0 249.358 1.047 20 0 BDADRP CC(C)([NH3+])CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335632527 385828173 /nfs/dbraw/zinc/82/81/73/385828173.db2.gz GSYKQDFDMZPLSK-NEPJUHHUSA-N 2 0 225.380 1.045 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000414954325 385835907 /nfs/dbraw/zinc/83/59/07/385835907.db2.gz SOCSITFHXMAWHB-AAVRWANBSA-N 2 0 240.391 1.922 20 0 BDADRP COc1cc(C)c(CNCC2([NH3+])CCC2)c(C)n1 ZINC000414870273 385849102 /nfs/dbraw/zinc/84/91/02/385849102.db2.gz BXWYYWSUXJJNDV-UHFFFAOYSA-N 2 0 249.358 1.678 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)CN1CCCCC1 ZINC000336707551 385793979 /nfs/dbraw/zinc/79/39/79/385793979.db2.gz LVORLQUNATYFTJ-KBPBESRZSA-N 2 0 241.423 1.968 20 0 BDADRP CO[C@H](C)CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000336656786 385794514 /nfs/dbraw/zinc/79/45/14/385794514.db2.gz MCIMHNARHSTRLR-AAVRWANBSA-N 2 0 240.391 1.922 20 0 BDADRP C([NH2+][C@@H]1CCOC1)[C@@H]1CCCCN1C1CC1 ZINC000309697844 385796584 /nfs/dbraw/zinc/79/65/84/385796584.db2.gz RVWRYUKMTVTYFY-YPMHNXCESA-N 2 0 224.348 1.382 20 0 BDADRP [NH3+]C1(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CCC1 ZINC000414874649 385886917 /nfs/dbraw/zinc/88/69/17/385886917.db2.gz IRGAAONMTRSFRC-QJPTWQEYSA-N 2 0 236.359 1.415 20 0 BDADRP COC(C)(C)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000122184622 385892425 /nfs/dbraw/zinc/89/24/25/385892425.db2.gz RWAIRJHDUJCTKK-QWRGUYRKSA-N 2 0 214.353 1.484 20 0 BDADRP COc1ccccc1CCC[N@H+](C)CCC[NH3+] ZINC000647847240 385896679 /nfs/dbraw/zinc/89/66/79/385896679.db2.gz IPVNMYSOSMDLDV-UHFFFAOYSA-N 2 0 236.359 1.908 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccccn1 ZINC000122296756 385896786 /nfs/dbraw/zinc/89/67/86/385896786.db2.gz BWUZLEDGYPBGCW-GHMZBOCLSA-N 2 0 205.305 1.251 20 0 BDADRP C[N@H+](CCC[NH3+])CCOCC(F)(F)C(F)F ZINC000647847664 385898588 /nfs/dbraw/zinc/89/85/88/385898588.db2.gz ZCPCRNTYTVZVJI-UHFFFAOYSA-N 2 0 246.248 1.184 20 0 BDADRP CN(CCC[NH3+])CCC[NH+]1CCCCC1 ZINC000647847698 385899025 /nfs/dbraw/zinc/89/90/25/385899025.db2.gz ZWVPYSWRNNAHGS-UHFFFAOYSA-N 3 0 213.369 1.143 20 0 BDADRP CN(CCC[NH3+])Cc1nc(-c2ccoc2)no1 ZINC000647848195 385899556 /nfs/dbraw/zinc/89/95/56/385899556.db2.gz KJFTUFFWHUYWGA-UHFFFAOYSA-N 2 0 236.275 1.110 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccnc1 ZINC000122328737 385910799 /nfs/dbraw/zinc/91/07/99/385910799.db2.gz SDQQBWIEYVEAPQ-ZYHUDNBSSA-N 2 0 205.305 1.251 20 0 BDADRP Cc1ccc(C[NH2+]CC2=CC[N@H+](C)CC2)o1 ZINC000336767577 385921434 /nfs/dbraw/zinc/92/14/34/385921434.db2.gz PRNWHXXJSHMHIL-UHFFFAOYSA-N 2 0 220.316 1.940 20 0 BDADRP CC(C)N1C[C@@H](C)[C@@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000335034169 385923140 /nfs/dbraw/zinc/92/31/40/385923140.db2.gz JOCNRAJIWUVUCN-RYSNWHEDSA-N 3 0 239.407 1.575 20 0 BDADRP C1=C(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)COCC1 ZINC000334502718 385923898 /nfs/dbraw/zinc/92/38/98/385923898.db2.gz JVKFQZDGRZKMCO-KBPBESRZSA-N 2 0 236.359 1.550 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000262575473 385862287 /nfs/dbraw/zinc/86/22/87/385862287.db2.gz JDYUJGKJNTURTQ-JSGCOSHPSA-N 2 0 249.358 1.320 20 0 BDADRP C[C@H]([NH2+]C1Cc2ccccc2C1)C1C[NH2+]C1 ZINC000335038278 385927701 /nfs/dbraw/zinc/92/77/01/385927701.db2.gz IUVUCTVKQIJRBY-JTQLQIEISA-N 2 0 216.328 1.351 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000250860467 385928245 /nfs/dbraw/zinc/92/82/45/385928245.db2.gz SKEVRIHLDJNTOL-BFHYXJOUSA-N 2 0 246.354 1.707 20 0 BDADRP CC(C)([NH3+])CCC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000647829275 385878379 /nfs/dbraw/zinc/87/83/79/385878379.db2.gz ZHQXILNPCIZTKC-WDEREUQCSA-N 2 0 241.379 1.138 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCSC1 ZINC000228557910 385878498 /nfs/dbraw/zinc/87/84/98/385878498.db2.gz WSAWIJNFIBIFSG-GARJFASQSA-N 2 0 214.378 1.457 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2O)[C@H]2CCC[C@@H]21 ZINC000414128213 385977051 /nfs/dbraw/zinc/97/70/51/385977051.db2.gz RUFCAFJZHJSFOI-XHJNMGKDSA-N 2 0 238.375 1.362 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](CO)[C@H]1C ZINC000338355405 385977505 /nfs/dbraw/zinc/97/75/05/385977505.db2.gz JJHKGQBUTSPWPV-OLZOCXBDSA-N 2 0 228.380 1.421 20 0 BDADRP CC[C@H]([NH3+])CNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000295151804 385978705 /nfs/dbraw/zinc/97/87/05/385978705.db2.gz CSLHTGACHDYOFC-DRZSPHRISA-N 2 0 249.358 1.176 20 0 BDADRP Cc1cnn(CC[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000304326604 385951631 /nfs/dbraw/zinc/95/16/31/385951631.db2.gz CXXKEOUASYVYRY-NWDGAFQWSA-N 2 0 222.336 1.003 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000338304875 385951402 /nfs/dbraw/zinc/95/14/02/385951402.db2.gz PWNPPOMHRFFMGI-MELADBBJSA-N 2 0 240.391 1.421 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000338304872 385951504 /nfs/dbraw/zinc/95/15/04/385951504.db2.gz PWNPPOMHRFFMGI-IHRRRGAJSA-N 2 0 240.391 1.421 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]Cc1cccc2c[nH]nc21 ZINC000414879479 385952283 /nfs/dbraw/zinc/95/22/83/385952283.db2.gz PMKRZZWJCQRUJG-SECBINFHSA-N 2 0 218.304 1.247 20 0 BDADRP C([NH2+][C@H]1CCCC12CCC2)[C@H]1CNCCO1 ZINC000335053909 385953158 /nfs/dbraw/zinc/95/31/58/385953158.db2.gz YLWYPRLYRPDKMF-NEPJUHHUSA-N 2 0 224.348 1.287 20 0 BDADRP C(C[NH2+]CC[C@H]1CCOC1)C[C@@H]1CCC[NH2+]1 ZINC000414973402 385993706 /nfs/dbraw/zinc/99/37/06/385993706.db2.gz ZLMXZDJOJKYVOE-QWHCGFSZSA-N 2 0 226.364 1.535 20 0 BDADRP CC[NH+](CC)CCC[N@H+](C[C@H](C)O)C(C)C ZINC000338308832 385957204 /nfs/dbraw/zinc/95/72/04/385957204.db2.gz SREQKTCPVIMDFN-ZDUSSCGKSA-N 2 0 230.396 1.810 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C[C@H]1CCCCO1 ZINC000251258768 385961126 /nfs/dbraw/zinc/96/11/26/385961126.db2.gz VUCBFOFLXBMSIT-FRRDWIJNSA-N 2 0 226.364 1.676 20 0 BDADRP CO[C@@H](C)C[N@H+](CC(C)(C)[NH3+])C(C)C ZINC000336747252 385969740 /nfs/dbraw/zinc/96/97/40/385969740.db2.gz CFUFDNRDSQXPIU-JTQLQIEISA-N 2 0 202.342 1.469 20 0 BDADRP Cc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)cn1 ZINC000335014102 385970885 /nfs/dbraw/zinc/97/08/85/385970885.db2.gz WZYIQRICVIQDBD-FZMZJTMJSA-N 2 0 233.359 1.868 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@@H](O)C(C)(C)C1 ZINC000338344569 385972886 /nfs/dbraw/zinc/97/28/86/385972886.db2.gz DBDYERXABYYZQA-CYBMUJFWSA-N 2 0 242.407 1.811 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C1CCSCC1 ZINC000220690618 385975258 /nfs/dbraw/zinc/97/52/58/385975258.db2.gz DHNAFYYILJJUMF-GXSJLCMTSA-N 2 0 214.378 1.599 20 0 BDADRP COC[C@@H](C)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000336770496 386009211 /nfs/dbraw/zinc/00/92/11/386009211.db2.gz SZDDXKVHMBAKSK-GFCCVEGCSA-N 2 0 228.380 1.733 20 0 BDADRP C[C@H]([NH2+][C@@H]1CN(C)C[C@H]1C)c1cn[nH]c1 ZINC000336770368 386013681 /nfs/dbraw/zinc/01/36/81/386013681.db2.gz WPGQMBHASSQSOA-WCABBAIRSA-N 2 0 208.309 1.010 20 0 BDADRP C[C@H]([NH2+][C@H]1CN(C)C[C@H]1C)c1cn[nH]c1 ZINC000336770369 386015364 /nfs/dbraw/zinc/01/53/64/386015364.db2.gz WPGQMBHASSQSOA-YWVKMMECSA-N 2 0 208.309 1.010 20 0 BDADRP C[C@H]([NH2+]Cc1ccc2c[nH+]cn2c1)[C@H]1CCCO1 ZINC000414176251 386019456 /nfs/dbraw/zinc/01/94/56/386019456.db2.gz HHIHATZDFNXTRJ-SMDDNHRTSA-N 2 0 245.326 1.991 20 0 BDADRP CC(=O)Nc1ccc(C[NH2+]C[C@@H](C)C[NH3+])cc1 ZINC000414882780 386020904 /nfs/dbraw/zinc/02/09/04/386020904.db2.gz UJRSGNKEDVZBNW-JTQLQIEISA-N 2 0 235.331 1.329 20 0 BDADRP C[N@H+](C[C@H](O)C[NH3+])C[C@@H]1CCCC(F)(F)C1 ZINC000336753422 386023334 /nfs/dbraw/zinc/02/33/34/386023334.db2.gz WHUOGMQLKARIIQ-NXEZZACHSA-N 2 0 236.306 1.063 20 0 BDADRP CO[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CN(C)C[C@H]1C ZINC000336771257 386033636 /nfs/dbraw/zinc/03/36/36/386033636.db2.gz UIJJVTLSECFQRQ-MROQNXINSA-N 2 0 226.364 1.484 20 0 BDADRP [NH3+][C@H](C[NH2+][C@H]1CCC[C@@H]1C1CC1)C1CC1 ZINC000414883853 386034232 /nfs/dbraw/zinc/03/42/32/386034232.db2.gz DSGGRXBMJXDNNL-UPJWGTAASA-N 2 0 208.349 1.892 20 0 BDADRP c1ccc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)nc1 ZINC000414979466 386045417 /nfs/dbraw/zinc/04/54/17/386045417.db2.gz VEMRTOSOZJCPHT-GFCCVEGCSA-N 2 0 219.332 1.703 20 0 BDADRP C[NH2+]CCC1CC[NH+](Cc2n[nH]cc2C)CC1 ZINC000414664945 386109228 /nfs/dbraw/zinc/10/92/28/386109228.db2.gz UTZBJPIUUPMMOQ-UHFFFAOYSA-N 2 0 236.363 1.540 20 0 BDADRP CC[C@H]([NH3+])CNCc1ccc(F)cc1C ZINC000414986643 386113935 /nfs/dbraw/zinc/11/39/35/386113935.db2.gz XYTLROPMJNSUAL-LBPRGKRZSA-N 2 0 210.296 1.961 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC000414986858 386114558 /nfs/dbraw/zinc/11/45/58/386114558.db2.gz JQXDLIKDHKELNA-UONOGXRCSA-N 2 0 248.370 1.879 20 0 BDADRP COC[C@H](CC(C)C)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414889966 386119411 /nfs/dbraw/zinc/11/94/11/386119411.db2.gz MANGWRMWVYVWDR-NWDGAFQWSA-N 2 0 214.353 1.374 20 0 BDADRP C[C@@H]1C[C@H](Nc2ncnc3[nH]ccc32)CC[N@@H+]1C ZINC000608088723 386068918 /nfs/dbraw/zinc/06/89/18/386068918.db2.gz ONEVBXCOTUMVEA-NXEZZACHSA-N 2 0 245.330 1.853 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CCN(CC[NH2+]C(C)(C)C)C1 ZINC000414660010 386091534 /nfs/dbraw/zinc/09/15/34/386091534.db2.gz LZOCDYIGZVPKFJ-GHMZBOCLSA-N 2 0 213.369 1.044 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@@H](C)CC1CCOCC1 ZINC000414985805 386098801 /nfs/dbraw/zinc/09/88/01/386098801.db2.gz IBPUHYRXXFLVJL-CMPLNLGQSA-N 2 0 214.353 1.519 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN(CC[NH3+])Cc1ccccc1 ZINC000414673601 386146891 /nfs/dbraw/zinc/14/68/91/386146891.db2.gz RBZJLZJCSCFWRE-OAHLLOKOSA-N 2 0 249.402 1.821 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@H]1CCc2c(cccc2OC)C1 ZINC000414992460 386155605 /nfs/dbraw/zinc/15/56/05/386155605.db2.gz RPEFJYAGZDGQEC-STQMWFEESA-N 2 0 248.370 1.879 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC2CC[NH+](C)CC2)CCO1 ZINC000163690091 386159955 /nfs/dbraw/zinc/15/99/55/386159955.db2.gz SWBQYSQITGFGQY-TZMCWYRMSA-N 2 0 240.391 1.875 20 0 BDADRP [NH3+]CCC[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000414687269 386170188 /nfs/dbraw/zinc/17/01/88/386170188.db2.gz CAATZXVOGLXXSU-GFCCVEGCSA-N 2 0 222.307 1.964 20 0 BDADRP Cc1ccc2ncc(C[NH2+][C@@H](C)CC[NH3+])n2c1 ZINC000414894201 386171226 /nfs/dbraw/zinc/17/12/26/386171226.db2.gz ZCWHMKPVUFRQNC-NSHDSACASA-N 2 0 232.331 1.470 20 0 BDADRP C[C@H](CC[NH3+])[NH2+]Cc1ccccc1N(C)C ZINC000414894469 386172726 /nfs/dbraw/zinc/17/27/26/386172726.db2.gz ZLHVSMLGQJSRRX-LLVKDONJSA-N 2 0 221.348 1.580 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[C@H](C[NH+](C)C)C1 ZINC000414685980 386173988 /nfs/dbraw/zinc/17/39/88/386173988.db2.gz ADBHMABZVSNMJO-OLZOCXBDSA-N 2 0 227.396 1.243 20 0 BDADRP Cc1ccc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)nc1 ZINC000414995851 386180159 /nfs/dbraw/zinc/18/01/59/386180159.db2.gz NYZZKPAOJVLBRH-STQMWFEESA-N 2 0 233.359 1.997 20 0 BDADRP CC[C@H]([NH3+])CN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000414995811 386180167 /nfs/dbraw/zinc/18/01/67/386180167.db2.gz WTEYPPFHMINKQA-FRRDWIJNSA-N 2 0 227.396 1.624 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+](C)CCn2cccn2)CC[NH2+]1 ZINC000414692175 386182608 /nfs/dbraw/zinc/18/26/08/386182608.db2.gz KFEIQNRJJRTTAH-CHWSQXEVSA-N 2 0 236.363 1.203 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCCOCC1 ZINC000414988397 386133108 /nfs/dbraw/zinc/13/31/08/386133108.db2.gz FUKADOYKULMPAE-NFMDPKQHSA-N 2 0 238.375 1.661 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[N@H+](C)CC1(C)C ZINC000414691373 386189222 /nfs/dbraw/zinc/18/92/22/386189222.db2.gz BKBGKRSMMYZLFV-LBPRGKRZSA-N 2 0 227.396 1.386 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)CC[NH2+]1 ZINC000414998167 386202055 /nfs/dbraw/zinc/20/20/55/386202055.db2.gz HZVDDDQBATYLPF-SYQHCUMBSA-N 3 0 239.407 1.482 20 0 BDADRP CC[C@H](COC)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414896618 386204759 /nfs/dbraw/zinc/20/47/59/386204759.db2.gz CIRVHHWSKLVZAF-LLVKDONJSA-N 2 0 214.353 1.391 20 0 BDADRP COC(=O)C[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)C1CC1 ZINC000414706271 386220687 /nfs/dbraw/zinc/22/06/87/386220687.db2.gz LKAQPSNMAZRHPK-GHMZBOCLSA-N 2 0 240.347 1.012 20 0 BDADRP CC[C@](C)(CCO)[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414708927 386222315 /nfs/dbraw/zinc/22/23/15/386222315.db2.gz OFWJWGTUJJWOBZ-RWMBFGLXSA-N 2 0 228.380 1.515 20 0 BDADRP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H]1C[C@@H](C)O ZINC000414709261 386222906 /nfs/dbraw/zinc/22/29/06/386222906.db2.gz QRBMEXNPCCYKED-AGIUHOORSA-N 2 0 228.380 1.595 20 0 BDADRP CCC(CC)(CO)[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414709777 386224187 /nfs/dbraw/zinc/22/41/87/386224187.db2.gz PJXZTYYFFAACQE-NWDGAFQWSA-N 2 0 228.380 1.515 20 0 BDADRP COC(=O)CCC(C)(C)[NH2+]C[C@@H]([NH3+])CC(C)C ZINC000414710523 386224230 /nfs/dbraw/zinc/22/42/30/386224230.db2.gz LDTCCQZMFOJVQS-NSHDSACASA-N 2 0 244.379 1.681 20 0 BDADRP CC(C)[C@H]1C[N@H+](CCC[NH3+])CCS1 ZINC000414713412 386233468 /nfs/dbraw/zinc/23/34/68/386233468.db2.gz VSRLLLFFSAUXKS-SNVBAGLBSA-N 2 0 202.367 1.409 20 0 BDADRP CC[C@](C)(CCO)[NH2+]C[C@H]([NH3+])CC(C)C ZINC000414713859 386235991 /nfs/dbraw/zinc/23/59/91/386235991.db2.gz URYJMQRIXBKVSB-VXGBXAGGSA-N 2 0 216.369 1.501 20 0 BDADRP CC(C)(C)[NH2+]CC[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415002363 386244197 /nfs/dbraw/zinc/24/41/97/386244197.db2.gz MDJXCVSCSXJZLK-NEPJUHHUSA-N 3 0 227.396 1.482 20 0 BDADRP Cc1n[nH]c(C)c1C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414899488 386244654 /nfs/dbraw/zinc/24/46/54/386244654.db2.gz HEBPVKKYFCYNED-UHFFFAOYSA-N 2 0 236.363 1.506 20 0 BDADRP C[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)[NH+](C)C ZINC000353512494 386251823 /nfs/dbraw/zinc/25/18/23/386251823.db2.gz CXBKVGMKIJWWJR-SYQHCUMBSA-N 2 0 239.407 1.399 20 0 BDADRP Cn1ccc(C[NH2+]C2CCC([NH+](C)C)CC2)c1 ZINC000353512468 386251906 /nfs/dbraw/zinc/25/19/06/386251906.db2.gz CUBHABHUVKOYII-UHFFFAOYSA-N 2 0 235.375 1.988 20 0 BDADRP C[C@@H]1C[C@@H](C[N@H+]2[C@H](C)CNC[C@@H]2C)CC[NH2+]1 ZINC000414719360 386252993 /nfs/dbraw/zinc/25/29/93/386252993.db2.gz XZMUIILOPTULSV-NDBYEHHHSA-N 2 0 225.380 1.057 20 0 BDADRP [NH3+]CCC[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000414694572 386194327 /nfs/dbraw/zinc/19/43/27/386194327.db2.gz ODYCQOWJHHEJOP-SNVBAGLBSA-N 2 0 225.361 1.671 20 0 BDADRP CCOC[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647885773 386285782 /nfs/dbraw/zinc/28/57/82/386285782.db2.gz OMXNPAQXFVMKGP-QWHCGFSZSA-N 2 0 226.364 1.344 20 0 BDADRP CC(C)C[C@@H]([NH3+])CNC[C@]1(C)CCC[NH2+]C1 ZINC000414900860 386291189 /nfs/dbraw/zinc/29/11/89/386291189.db2.gz FIUPLEHMORATGV-CHWSQXEVSA-N 2 0 227.396 1.339 20 0 BDADRP CCn1cncc1CNc1nccc(N(C)C)n1 ZINC000416424146 386300428 /nfs/dbraw/zinc/30/04/28/386300428.db2.gz AVQJMKOOFZFTGZ-UHFFFAOYSA-N 2 0 246.318 1.371 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)NC[C@]1(C)CCC[NH2+]C1 ZINC000414901562 386307444 /nfs/dbraw/zinc/30/74/44/386307444.db2.gz GEMXWHOYWSOVIQ-HZSPNIEDSA-N 2 0 239.407 1.496 20 0 BDADRP COC(C)(C)CC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000336668724 386310188 /nfs/dbraw/zinc/31/01/88/386310188.db2.gz RCLVOXKAJDFLAD-GFCCVEGCSA-N 2 0 228.380 1.685 20 0 BDADRP CC[N@H+](CCCO)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414737717 386314341 /nfs/dbraw/zinc/31/43/41/386314341.db2.gz HPPKHCAIYBPMJJ-NEPJUHHUSA-N 2 0 214.353 1.079 20 0 BDADRP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@@H](CO)[C@H]1C ZINC000414738415 386319517 /nfs/dbraw/zinc/31/95/17/386319517.db2.gz JGWWZKPYOMLYQV-WOPDTQHZSA-N 2 0 214.353 1.063 20 0 BDADRP Cc1ccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)nc1 ZINC000415006533 386321819 /nfs/dbraw/zinc/32/18/19/386321819.db2.gz KMHMJEZDEKKSGS-LSDHHAIUSA-N 2 0 245.370 1.868 20 0 BDADRP C[C@H](O)CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000336679529 386322862 /nfs/dbraw/zinc/32/28/62/386322862.db2.gz PMUHZQUHPHPPQP-QWHCGFSZSA-N 2 0 226.364 1.175 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CCCc2sccc2C1 ZINC000647884665 386263122 /nfs/dbraw/zinc/26/31/22/386263122.db2.gz VLCBZBCUGCIJQD-UHFFFAOYSA-N 2 0 240.372 1.472 20 0 BDADRP CCCN(Cc1c[nH]nc1C)C1CC[NH2+]CC1 ZINC000347160382 386264348 /nfs/dbraw/zinc/26/43/48/386264348.db2.gz GZGBLSUECLSGEI-UHFFFAOYSA-N 2 0 236.363 1.682 20 0 BDADRP OCCC[N@H+](CCC1CC[NH2+]CC1)C1CC1 ZINC000647884998 386271910 /nfs/dbraw/zinc/27/19/10/386271910.db2.gz VMJJFZJHGYVTMR-UHFFFAOYSA-N 2 0 226.364 1.223 20 0 BDADRP C([C@@H]1CC[NH2+]C1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000647987602 386276572 /nfs/dbraw/zinc/27/65/72/386276572.db2.gz HWYSKDODFWVIEH-MGPQQGTHSA-N 2 0 237.391 1.060 20 0 BDADRP CCN(C)c1ccc(C[NH2+]CCCC[NH3+])cn1 ZINC000414903877 386343044 /nfs/dbraw/zinc/34/30/44/386343044.db2.gz LYJOHBRZYZBPOX-UHFFFAOYSA-N 2 0 236.363 1.366 20 0 BDADRP C[C@@H]1CC2(C[N@@H+]1CC1CC1)CC[NH2+]CC2 ZINC000335278698 386346842 /nfs/dbraw/zinc/34/68/42/386346842.db2.gz NMXIFRSZLHTJGL-LLVKDONJSA-N 2 0 208.349 1.860 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@](C)(O)C2CC2)[C@H](C)C1 ZINC000347308494 386351111 /nfs/dbraw/zinc/35/11/11/386351111.db2.gz BSBCAHQIWSUVSJ-KWCYVHTRSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@H]1C[C@H](C[N@H+](C)CCCCCO)CC[NH2+]1 ZINC000414745581 386352112 /nfs/dbraw/zinc/35/21/12/386352112.db2.gz PMGALBBFCDOWLC-QWHCGFSZSA-N 2 0 228.380 1.469 20 0 BDADRP C[C@H]1C[C@H](C[N@@H+]2CCNC(C)(C)C2)CC[NH2+]1 ZINC000335270736 386355241 /nfs/dbraw/zinc/35/52/41/386355241.db2.gz RSSOVJCAQMEFSO-NWDGAFQWSA-N 2 0 225.380 1.058 20 0 BDADRP CCC[NH+]1CCC(C[NH2+]C2CC(OC)C2)CC1 ZINC000347316646 386355263 /nfs/dbraw/zinc/35/52/63/386355263.db2.gz QUKFEESBKPFHHC-UHFFFAOYSA-N 2 0 240.391 1.875 20 0 BDADRP COC1CCC([NH2+]CC[C@H]2CCC[NH2+]2)CC1 ZINC000414905626 386366076 /nfs/dbraw/zinc/36/60/76/386366076.db2.gz ONDREINGWACHQR-PNESKVBLSA-N 2 0 226.364 1.676 20 0 BDADRP [NH3+]CCC[NH+]1CCC(OCC2CC2)CC1 ZINC000414749826 386367681 /nfs/dbraw/zinc/36/76/81/386367681.db2.gz WRZILMXMSWKLOW-UHFFFAOYSA-N 2 0 212.337 1.226 20 0 BDADRP Cc1cccn2c(C[NH2+]CCCC[NH3+])cnc12 ZINC000414905894 386368727 /nfs/dbraw/zinc/36/87/27/386368727.db2.gz OREHAYADEALSGY-UHFFFAOYSA-N 2 0 232.331 1.471 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc2c(c1)OCO2 ZINC000336732019 386369969 /nfs/dbraw/zinc/36/99/69/386369969.db2.gz ZDMIMAJVZXQBSU-SNVBAGLBSA-N 2 0 236.315 1.632 20 0 BDADRP CC(C)[NH+]1CCC([N@@H+](C)CCC[C@@H](C)O)CC1 ZINC000336683911 386329685 /nfs/dbraw/zinc/32/96/85/386329685.db2.gz FKWLGBVINWEKDP-CYBMUJFWSA-N 2 0 242.407 1.952 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H](O)C(C)(C)C2)CC[NH2+]1 ZINC000414740428 386332060 /nfs/dbraw/zinc/33/20/60/386332060.db2.gz LHYIQOWMIBCEKY-FRRDWIJNSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@H](CC[NH3+])N[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000414903431 386333636 /nfs/dbraw/zinc/33/36/36/386333636.db2.gz ZQGIIGPZZGQBLB-UPJWGTAASA-N 2 0 227.396 1.624 20 0 BDADRP C[C@@H]1CC2(C[N@@H+]1Cc1cncn1C)CC[NH2+]CC2 ZINC000335276483 386337977 /nfs/dbraw/zinc/33/79/77/386337977.db2.gz DWFLPMSEEDQMAC-GFCCVEGCSA-N 2 0 248.374 1.384 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CC[NH2+]C1)[C@H]1CCCOC1 ZINC000647992189 386441310 /nfs/dbraw/zinc/44/13/10/386441310.db2.gz PANSEICPCUHBEN-SRVKXCTJSA-N 2 0 212.337 1.001 20 0 BDADRP CO[C@@H](C)C[N@H+](CCn1ccnc1C)C(C)C ZINC000336715795 386442685 /nfs/dbraw/zinc/44/26/85/386442685.db2.gz VDNPDQXEMLPUJR-LBPRGKRZSA-N 2 0 239.363 1.937 20 0 BDADRP CN(Cc1cncn1C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000336700031 386388105 /nfs/dbraw/zinc/38/81/05/386388105.db2.gz KYIFKDNYHBUSDS-GFCCVEGCSA-N 2 0 234.347 1.089 20 0 BDADRP C[C@H](CN(C)C)[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000336700041 386388246 /nfs/dbraw/zinc/38/82/46/386388246.db2.gz NFVYCKYHUCOVHA-NQBHXWOUSA-N 2 0 225.380 1.009 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCCCS1 ZINC000308477121 386390086 /nfs/dbraw/zinc/39/00/86/386390086.db2.gz FDDKNSYEHRPVFJ-MNOVXSKESA-N 2 0 216.394 1.989 20 0 BDADRP C[C@@H](O)CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000336703719 386390384 /nfs/dbraw/zinc/39/03/84/386390384.db2.gz BQJAMSMSJSVKOC-KGLIPLIRSA-N 2 0 240.391 1.565 20 0 BDADRP C[C@@H]1CC2(C[N@@H+]1C[C@@H]1CCOC1)CC[NH2+]CC2 ZINC000335280005 386395276 /nfs/dbraw/zinc/39/52/76/386395276.db2.gz QHMNPXVQUSLDQS-OLZOCXBDSA-N 2 0 238.375 1.487 20 0 BDADRP CC(C)[N@H+](CCc1cncn1C)C1CC1 ZINC000290112925 386395548 /nfs/dbraw/zinc/39/55/48/386395548.db2.gz SWRGTCKSJGSZLV-UHFFFAOYSA-N 2 0 207.321 1.835 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCN(C)[C@@H](C)[C@H]2C)CC[NH2+]1 ZINC000414757453 386402991 /nfs/dbraw/zinc/40/29/91/386402991.db2.gz LDUXQYWMKZZYJT-XJFOESAGSA-N 2 0 239.407 1.399 20 0 BDADRP COC[C@@H](CC(C)C)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414908969 386403257 /nfs/dbraw/zinc/40/32/57/386403257.db2.gz SGFYXRKITBFGDF-CHWSQXEVSA-N 2 0 228.380 1.779 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCCc1nccs1 ZINC000391121258 386409566 /nfs/dbraw/zinc/40/95/66/386409566.db2.gz BJCOWZQQWNUUOV-QWRGUYRKSA-N 2 0 239.388 1.793 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]CCc1ccccn1 ZINC000093462306 386417285 /nfs/dbraw/zinc/41/72/85/386417285.db2.gz QKVNAHRSROSOSH-OCCSQVGLSA-N 2 0 233.359 1.744 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2C[C@@H](O)C(C)(C)C2)CC[NH2+]1 ZINC000414761997 386422329 /nfs/dbraw/zinc/42/23/29/386422329.db2.gz VEZXIJJCVRCSAZ-GRYCIOLGSA-N 2 0 226.364 1.077 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)CC[NH2+]1 ZINC000414761942 386422609 /nfs/dbraw/zinc/42/26/09/386422609.db2.gz VCJJASVTVYFENC-MBJXGIAVSA-N 2 0 240.391 1.872 20 0 BDADRP COC[C@H](C)C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000527361612 386422898 /nfs/dbraw/zinc/42/28/98/386422898.db2.gz SZQAMLFDKDRNOY-GFCCVEGCSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414762692 386426112 /nfs/dbraw/zinc/42/61/12/386426112.db2.gz AVURYEFEPRQIDM-FVCCEPFGSA-N 2 0 208.349 1.574 20 0 BDADRP CCOC(=O)[C@@]1(C(C)C)CC[N@H+](CCC[NH3+])C1 ZINC000414763277 386427264 /nfs/dbraw/zinc/42/72/64/386427264.db2.gz XGYBDTOOOCGDBI-ZDUSSCGKSA-N 2 0 242.363 1.246 20 0 BDADRP CCC1(CC)CC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000094803565 386469278 /nfs/dbraw/zinc/46/92/78/386469278.db2.gz WCKVQFPRNYEHQI-UHFFFAOYSA-N 2 0 239.407 1.404 20 0 BDADRP C[C@@H]1CCN(C[C@@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000414774604 386471358 /nfs/dbraw/zinc/47/13/58/386471358.db2.gz YOQSTCXCVRSECF-UPJWGTAASA-N 2 0 225.380 1.045 20 0 BDADRP COc1cccc(C[C@@H](C)[NH2+]C2CC[NH2+]CC2)n1 ZINC000414776497 386478530 /nfs/dbraw/zinc/47/85/30/386478530.db2.gz FIPRCTWGTIZCCH-LLVKDONJSA-N 2 0 249.358 1.363 20 0 BDADRP CCc1cnc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)s1 ZINC000415042403 386528908 /nfs/dbraw/zinc/52/89/08/386528908.db2.gz QSJZTLATNSEPBO-NXEZZACHSA-N 2 0 239.388 1.923 20 0 BDADRP CCCC[C@H](COC)[NH2+]C1CC[NH2+]CC1 ZINC000414787945 386529293 /nfs/dbraw/zinc/52/92/93/386529293.db2.gz ZUVFLHSILIHYMK-GFCCVEGCSA-N 2 0 214.353 1.533 20 0 BDADRP CCCC[C@@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000414780216 386491933 /nfs/dbraw/zinc/49/19/33/386491933.db2.gz LHEVFTOCGVOFTG-CYBMUJFWSA-N 2 0 227.396 1.450 20 0 BDADRP COC[C@H](CC(C)C)[NH2+][C@H](C)[C@@H](C)[NH3+] ZINC000415013147 386494909 /nfs/dbraw/zinc/49/49/09/386494909.db2.gz KIXUXOWJIALDGE-MXWKQRLJSA-N 2 0 202.342 1.373 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccccc1N(C)C ZINC000415015218 386500551 /nfs/dbraw/zinc/50/05/51/386500551.db2.gz AOBVNRNAIKIIRP-GFCCVEGCSA-N 2 0 235.375 1.970 20 0 BDADRP C[C@H]1CC[C@@H]([NH2+]CCCN2CC[NH2+]CC2)C1 ZINC000414784131 386507179 /nfs/dbraw/zinc/50/71/79/386507179.db2.gz RNXIGXWMAGAFDM-QWHCGFSZSA-N 2 0 225.380 1.060 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+][C@H](C)[C@@H](C)[NH3+])CCO1 ZINC000415020223 386509585 /nfs/dbraw/zinc/50/95/85/386509585.db2.gz SPUJMNNYMXTCJM-DDHJBXDOSA-N 2 0 214.353 1.517 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@@H](C[NH3+])C(C)(C)C ZINC000415052095 386509635 /nfs/dbraw/zinc/50/96/35/386509635.db2.gz HIUPZISPXWXUTH-QWRGUYRKSA-N 2 0 215.385 1.323 20 0 BDADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]C[C@@H]2CCC[NH2+]C2)CC1 ZINC000415022311 386511313 /nfs/dbraw/zinc/51/13/13/386511313.db2.gz IZMUHNDYTXVJOF-MGPQQGTHSA-N 3 0 239.407 1.341 20 0 BDADRP CC(C)Cn1cc(C[NH2+][C@H](C)CCC[NH3+])cn1 ZINC000415024357 386513212 /nfs/dbraw/zinc/51/32/12/386513212.db2.gz OUFQSYKBCLXSLY-GFCCVEGCSA-N 2 0 238.379 1.756 20 0 BDADRP CCC1(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)COC1 ZINC000393975178 386513830 /nfs/dbraw/zinc/51/38/30/386513830.db2.gz UUFSJPGMLCTNLH-RWMBFGLXSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@@H]1CCC[C@@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000414785760 386514606 /nfs/dbraw/zinc/51/46/06/386514606.db2.gz WCHAVAXTHAEKKV-OLZOCXBDSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@@H](Cn1cccn1)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000340371807 386515810 /nfs/dbraw/zinc/51/58/10/386515810.db2.gz QDYOJEIWTKMTRF-QWHCGFSZSA-N 2 0 236.363 1.346 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000415027107 386517092 /nfs/dbraw/zinc/51/70/92/386517092.db2.gz WBSHMJKTEXKXRJ-DDHJBXDOSA-N 2 0 226.364 1.517 20 0 BDADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@H](C(C)C)[C@H](C)[NH3+] ZINC000519643292 386517300 /nfs/dbraw/zinc/51/73/00/386517300.db2.gz VXGMNKOABXHCSA-QJPTWQEYSA-N 2 0 243.395 1.095 20 0 BDADRP CC1(C[NH2+]CC[C@H]2CCOC2)CC[NH2+]CC1 ZINC000414915230 386517501 /nfs/dbraw/zinc/51/75/01/386517501.db2.gz ZFNDLOFGOIDMPH-LBPRGKRZSA-N 2 0 226.364 1.392 20 0 BDADRP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415031630 386518935 /nfs/dbraw/zinc/51/89/35/386518935.db2.gz GMABIGHLVBOBGF-QQUHWDOBSA-N 2 0 234.318 1.564 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)C(C)C ZINC000336754621 386522348 /nfs/dbraw/zinc/52/23/48/386522348.db2.gz FTHGAZVMTZZLOV-YNEHKIRRSA-N 2 0 228.380 1.587 20 0 BDADRP C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415033309 386522412 /nfs/dbraw/zinc/52/24/12/386522412.db2.gz GXEXPLQETFPFKD-MGPQQGTHSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@@H]1CCC[C@@H](C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000415033998 386522480 /nfs/dbraw/zinc/52/24/80/386522480.db2.gz JITPPCPISYQULP-KVSVUVNWSA-N 2 0 208.349 1.620 20 0 BDADRP C(CC1CCCCC1)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415037363 386524249 /nfs/dbraw/zinc/52/42/49/386524249.db2.gz KZOCHMXVFUTGCT-AWEZNQCLSA-N 2 0 240.391 1.925 20 0 BDADRP CC[C@H]1C[N@H+](CCCOC(C)C)CC[C@@H]1[NH3+] ZINC000647936459 386525702 /nfs/dbraw/zinc/52/57/02/386525702.db2.gz FJBMZKJLKOXXFW-STQMWFEESA-N 2 0 228.380 1.861 20 0 BDADRP CC(C)(C)[NH2+]CC[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415041676 386527611 /nfs/dbraw/zinc/52/76/11/386527611.db2.gz QBQKSLSFVQTYAE-GHMZBOCLSA-N 3 0 213.369 1.092 20 0 BDADRP C[C@H](CC1CCOCC1)[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415038891 386527698 /nfs/dbraw/zinc/52/76/98/386527698.db2.gz NULYHXJAQCODPO-BNOWGMLFSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H]1CCN(Cc2cnc(N)s2)[C@@H](C[NH3+])C1 ZINC000414770663 386453416 /nfs/dbraw/zinc/45/34/16/386453416.db2.gz PIRMJAWHZLLPMA-RKDXNWHRSA-N 2 0 240.376 1.115 20 0 BDADRP CC(C)(C)[NH2+]CCN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000414774236 386464914 /nfs/dbraw/zinc/46/49/14/386464914.db2.gz BAUMFWRSQOVZAM-CQSZACIVSA-N 2 0 239.407 1.450 20 0 BDADRP CCn1cc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cn1 ZINC000414800568 386588421 /nfs/dbraw/zinc/58/84/21/386588421.db2.gz LCLLRKRUOXKITN-STQMWFEESA-N 2 0 236.363 1.510 20 0 BDADRP CC(C)([NH3+])CNCc1cc(F)c(F)c(F)c1 ZINC000414799721 386592717 /nfs/dbraw/zinc/59/27/17/386592717.db2.gz GVBMRPLCSDLTQZ-UHFFFAOYSA-N 2 0 232.249 1.931 20 0 BDADRP Cc1ccc(F)c(CN[C@H](C[NH3+])C2CC2)c1 ZINC000414799676 386594465 /nfs/dbraw/zinc/59/44/65/386594465.db2.gz KHQRGQYODBMHMW-CYBMUJFWSA-N 2 0 222.307 1.961 20 0 BDADRP C[C@@H](CCC(F)(F)F)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415045140 386531390 /nfs/dbraw/zinc/53/13/90/386531390.db2.gz VZJCTFHWGBSNDB-RBXMUDONSA-N 2 0 222.254 1.525 20 0 BDADRP CC(C)C[C@@H](C)C[NH2+]CCCN1CC[NH2+]CC1 ZINC000414788558 386531595 /nfs/dbraw/zinc/53/15/95/386531595.db2.gz DLOFWSUBQYIHHF-CQSZACIVSA-N 2 0 241.423 1.554 20 0 BDADRP CC[N@H+](C[C@H]1CCCO1)C[C@]1(C)CC[NH2+]C1 ZINC000062911682 386532639 /nfs/dbraw/zinc/53/26/39/386532639.db2.gz PJWPFKQNUXFPQN-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H](CC1CC1)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415047731 386534900 /nfs/dbraw/zinc/53/49/00/386534900.db2.gz WHIPYOKYZRARMB-JQWIXIFHSA-N 2 0 212.337 1.143 20 0 BDADRP CCn1nccc1CN[C@@H](C[NH3+])C(C)(C)C ZINC000415055581 386538089 /nfs/dbraw/zinc/53/80/89/386538089.db2.gz OKFFXWZWFKTTBQ-NSHDSACASA-N 2 0 224.352 1.366 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CCC=C(C)C ZINC000397886664 386539008 /nfs/dbraw/zinc/53/90/08/386539008.db2.gz QDLPFNJAOZIBIK-LBPRGKRZSA-N 2 0 214.353 1.686 20 0 BDADRP CCN(CC)[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000062980222 386541384 /nfs/dbraw/zinc/54/13/84/386541384.db2.gz QGRHWNJMMLEXEE-CQSZACIVSA-N 2 0 239.407 1.402 20 0 BDADRP CC[N@H+](C)CCNC(=O)[C@@H]([NH3+])c1ccc(C)cc1 ZINC000228093418 386542384 /nfs/dbraw/zinc/54/23/84/386542384.db2.gz WWQBLIKGCXAVND-ZDUSSCGKSA-N 2 0 249.358 1.063 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)N[C@@H](C[NH3+])C1CCCC1 ZINC000415062249 386543413 /nfs/dbraw/zinc/54/34/13/386543413.db2.gz FBFKXEIBQVTICB-BNOWGMLFSA-N 2 0 239.407 1.624 20 0 BDADRP CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2CCCC[NH2+]C2)CCO1 ZINC000415063606 386544203 /nfs/dbraw/zinc/54/42/03/386544203.db2.gz APTAPZLXWAAQRJ-IHRRRGAJSA-N 2 0 240.391 1.922 20 0 BDADRP C(C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000647995231 386547838 /nfs/dbraw/zinc/54/78/38/386547838.db2.gz HPODHWIDNHKFQE-XQQFMLRXSA-N 2 0 224.348 1.097 20 0 BDADRP CCc1ccccc1[C@@H]([NH3+])CNCC1(C[NH3+])CC1 ZINC000415069416 386550254 /nfs/dbraw/zinc/55/02/54/386550254.db2.gz SNOIPXIXTMGJOV-AWEZNQCLSA-N 2 0 247.386 1.577 20 0 BDADRP CCc1ccccc1[C@@H]([NH3+])CN[C@H]1CC[NH2+]C1 ZINC000415067842 386550989 /nfs/dbraw/zinc/55/09/89/386550989.db2.gz QBQIXZHONYMHQL-JSGCOSHPSA-N 2 0 233.359 1.200 20 0 BDADRP CN(CCN(C)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000519768415 386551621 /nfs/dbraw/zinc/55/16/21/386551621.db2.gz YNXVJQMOXBFQRL-CQSZACIVSA-N 2 0 233.359 1.417 20 0 BDADRP C([NH2+][C@H]1CCC[C@@H]2OCC[C@H]21)C1CC[NH2+]CC1 ZINC000415083859 386597494 /nfs/dbraw/zinc/59/74/94/386597494.db2.gz FXHAYRKWYQXMQJ-IHRRRGAJSA-N 2 0 238.375 1.533 20 0 BDADRP C[C@H](CC1CCOCC1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415074404 386565500 /nfs/dbraw/zinc/56/55/00/386565500.db2.gz PIWRXWLEOMGGAO-OCCSQVGLSA-N 2 0 240.391 1.923 20 0 BDADRP CC[C@@H]1CCC[C@H](C[N@H+](C)C[C@H](O)C[NH3+])C1 ZINC000415073866 386570655 /nfs/dbraw/zinc/57/06/55/386570655.db2.gz YZGYODJPVZMNFR-FRRDWIJNSA-N 2 0 228.380 1.454 20 0 BDADRP COCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976216 386571112 /nfs/dbraw/zinc/57/11/12/386571112.db2.gz LMRYDXZFTHANDG-STQMWFEESA-N 2 0 226.364 1.344 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CCOCC(F)(F)F ZINC000336646114 386623670 /nfs/dbraw/zinc/62/36/70/386623670.db2.gz DQXNRLABUIKHFH-VIFPVBQESA-N 2 0 242.285 1.672 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[NH2+]CC1CCOCC1 ZINC000415102842 386623549 /nfs/dbraw/zinc/62/35/49/386623549.db2.gz JZXKVAJNDGPJQT-GFCCVEGCSA-N 2 0 214.353 1.376 20 0 BDADRP COCCC[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415102831 386624316 /nfs/dbraw/zinc/62/43/16/386624316.db2.gz JZCMLZCZSJCCQX-GHMZBOCLSA-N 2 0 200.326 1.001 20 0 BDADRP CC[N@@H+]1CC[C@H](NCC([NH3+])(CC)CC)[C@@H](C)C1 ZINC000414808910 386625490 /nfs/dbraw/zinc/62/54/90/386625490.db2.gz LJRWINHYWPHTCZ-STQMWFEESA-N 2 0 241.423 1.824 20 0 BDADRP C[C@H]1CCN(CC[NH2+]C(C)(C)C)C[C@@H]1C[NH3+] ZINC000415123693 386626591 /nfs/dbraw/zinc/62/65/91/386626591.db2.gz JNICLFZBRFNGNZ-RYUDHWBXSA-N 2 0 227.396 1.291 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC[NH2+]1 ZINC000414811860 386627352 /nfs/dbraw/zinc/62/73/52/386627352.db2.gz WTYJSZJKDJRABW-SYQHCUMBSA-N 3 0 239.407 1.482 20 0 BDADRP CCCC[C@@H](C[NH3+])NC1CC[NH+](CCC)CC1 ZINC000414810296 386631307 /nfs/dbraw/zinc/63/13/07/386631307.db2.gz HTUXMFJQZRMIKI-AWEZNQCLSA-N 2 0 241.423 1.968 20 0 BDADRP CCCC[C@H](COC)[NH2+][C@H](CN)C1CC1 ZINC000414814037 386636745 /nfs/dbraw/zinc/63/67/45/386636745.db2.gz RHQLWOUVDOTDIG-VXGBXAGGSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@@H]1[C@H](CO)CCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000415139986 386638800 /nfs/dbraw/zinc/63/88/00/386638800.db2.gz MLGRUQRRYVFGLM-AGIUHOORSA-N 2 0 226.364 1.079 20 0 BDADRP C[NH2+]CCCN(C)Cc1cnn(CC(C)C)c1 ZINC000415133602 386638943 /nfs/dbraw/zinc/63/89/43/386638943.db2.gz NHUUIWXWBSBPEJ-UHFFFAOYSA-N 2 0 238.379 1.580 20 0 BDADRP CCCC[C@H](CN)[NH2+]C1CCC([NH3+])CC1 ZINC000414814145 386640082 /nfs/dbraw/zinc/64/00/82/386640082.db2.gz NHLPMKCEAIYYIR-HTAVTVPLSA-N 2 0 213.369 1.363 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H]1CC12CC2 ZINC000417372456 386643033 /nfs/dbraw/zinc/64/30/33/386643033.db2.gz XDUBZMPUDUQVRB-GRYCIOLGSA-N 2 0 208.349 1.716 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CN(C)C[C@@H]1C)CC(C)C ZINC000417369572 386643800 /nfs/dbraw/zinc/64/38/00/386643800.db2.gz PLTQERSOMOECAO-AVGNSLFASA-N 2 0 228.380 1.587 20 0 BDADRP CCSCC[NH2+]CC1CC[NH+](CCO)CC1 ZINC000336782601 386647085 /nfs/dbraw/zinc/64/70/85/386647085.db2.gz YEQNCOPNISJRAF-UHFFFAOYSA-N 2 0 246.420 1.033 20 0 BDADRP C1C[C@@H]2[C@H](CCC[C@H]2[NH2+][C@@H]2CCC[NH2+]CC2)O1 ZINC000415082212 386599168 /nfs/dbraw/zinc/59/91/68/386599168.db2.gz CSLMNUWKIFOOAW-RQJABVFESA-N 2 0 238.375 1.676 20 0 BDADRP CCCn1nc(C)c(CNCC(C)(C)[NH3+])c1C ZINC000414803713 386600629 /nfs/dbraw/zinc/60/06/29/386600629.db2.gz MVBDIWNGFVHSIV-UHFFFAOYSA-N 2 0 238.379 1.737 20 0 BDADRP CCC([NH3+])(CC)CN[C@H](C)C[C@H]1CCC[NH2+]1 ZINC000414804026 386606242 /nfs/dbraw/zinc/60/62/42/386606242.db2.gz DQCWMSRZYSYRKH-VXGBXAGGSA-N 2 0 227.396 1.624 20 0 BDADRP C[C@]1(C[NH2+]C[C@H]2CCCCO2)CC[NH2+]C1 ZINC000062912053 386655031 /nfs/dbraw/zinc/65/50/31/386655031.db2.gz FOJFSDNPZGRIHB-NEPJUHHUSA-N 2 0 212.337 1.145 20 0 BDADRP COC(=O)C(C)(C)C[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000415098928 386617953 /nfs/dbraw/zinc/61/79/53/386617953.db2.gz GDJNEPJZPBFXDQ-MNOVXSKESA-N 2 0 242.363 1.163 20 0 BDADRP C[NH2+]CCN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000414819474 386662710 /nfs/dbraw/zinc/66/27/10/386662710.db2.gz AFJIIQVZOIUHQZ-NWDGAFQWSA-N 2 0 213.369 1.106 20 0 BDADRP C[C@@H](CC1CCOCC1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414820082 386663589 /nfs/dbraw/zinc/66/35/89/386663589.db2.gz AFHVMFKJZVFHSZ-WCQYABFASA-N 2 0 226.364 1.533 20 0 BDADRP CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1cnccn1 ZINC000268580695 386665986 /nfs/dbraw/zinc/66/59/86/386665986.db2.gz SZGCTFMGJLDEBT-AWEZNQCLSA-N 2 0 248.374 1.783 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000414818648 386666639 /nfs/dbraw/zinc/66/66/39/386666639.db2.gz WIMSXGGYWHYUPE-IUODEOHRSA-N 3 0 247.386 1.938 20 0 BDADRP C[C@@H](NCC[NH2+]C(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC000414818731 386668551 /nfs/dbraw/zinc/66/85/51/386668551.db2.gz FUSXXEKHUOVLRC-VXGBXAGGSA-N 2 0 227.396 1.352 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1NCc1ccc2c[nH+]cn2c1 ZINC000335530630 386679124 /nfs/dbraw/zinc/67/91/24/386679124.db2.gz AWNZLUPDCQLRET-OLZOCXBDSA-N 2 0 230.315 1.304 20 0 BDADRP C[C@H]([NH3+])CCN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000414818568 386657094 /nfs/dbraw/zinc/65/70/94/386657094.db2.gz FLQRDZUJVLWKKT-RWMBFGLXSA-N 2 0 227.396 1.624 20 0 BDADRP C[C@@H]1c2ccccc2CC[N@H+]1CCOCC[NH3+] ZINC000357073507 386711566 /nfs/dbraw/zinc/71/15/66/386711566.db2.gz LWDHNKLEYVMJQP-GFCCVEGCSA-N 2 0 234.343 1.581 20 0 BDADRP CC(C)C[C@@H]([NH3+])CNC[C@H]([NH3+])c1ccccc1 ZINC000414828070 386698740 /nfs/dbraw/zinc/69/87/40/386698740.db2.gz IINHLBDWSCSIHN-KGLIPLIRSA-N 2 0 235.375 1.649 20 0 BDADRP CC(C)C[C@H]([NH3+])c1noc([C@@H]2CC[N@H+](C)C2)n1 ZINC000520580633 386700052 /nfs/dbraw/zinc/70/00/52/386700052.db2.gz DETYIIVKKQJZDB-ZJUUUORDSA-N 2 0 238.335 1.535 20 0 BDADRP CCCn1cc(CNC[C@H]2CCC[NH2+]C2)cn1 ZINC000414830532 386704846 /nfs/dbraw/zinc/70/48/46/386704846.db2.gz OPISTGYMGPDZLZ-LBPRGKRZSA-N 2 0 236.363 1.382 20 0 BDADRP N[C@H](C[NH2+]CC[C@@H]1CCOC1)c1ccccc1 ZINC000414830252 386705677 /nfs/dbraw/zinc/70/56/77/386705677.db2.gz LUZBYYWXIMMFEG-TZMCWYRMSA-N 2 0 234.343 1.703 20 0 BDADRP CCn1nccc1CN[C@H](C[NH3+])CC(C)C ZINC000414830488 386707816 /nfs/dbraw/zinc/70/78/16/386707816.db2.gz BBYRAWCVSQNXOO-NSHDSACASA-N 2 0 224.352 1.366 20 0 BDADRP [NH3+]C1(C[NH2+]CC[C@@H]2CCOC2)CCCCC1 ZINC000414837347 386735017 /nfs/dbraw/zinc/73/50/17/386735017.db2.gz GWDFOSZVBZNTOJ-GFCCVEGCSA-N 2 0 226.364 1.664 20 0 BDADRP C[NH2+]C[C@H](C)CNC1CC[NH+](C(C)(C)C)CC1 ZINC000414840337 386738041 /nfs/dbraw/zinc/73/80/41/386738041.db2.gz NBRLQQCGKGJXRV-LBPRGKRZSA-N 2 0 241.423 1.694 20 0 BDADRP CC(C)OCC(C)(C)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000396411903 386737992 /nfs/dbraw/zinc/73/79/92/386737992.db2.gz GWKHXMTZXMJICN-GFCCVEGCSA-N 2 0 228.380 1.779 20 0 BDADRP CCC[NH2+][C@H](C)c1nc(C2([NH3+])CCCC2)no1 ZINC000414497039 386738565 /nfs/dbraw/zinc/73/85/65/386738565.db2.gz ZYXRYNIYDYDSCI-SECBINFHSA-N 2 0 238.335 1.858 20 0 BDADRP C[C@H]1CC[NH2+]C[C@@H]1NCc1ccc2c[nH+]cn2c1 ZINC000335536324 386739243 /nfs/dbraw/zinc/73/92/43/386739243.db2.gz PUNJJDNJWYFCFS-FZMZJTMJSA-N 2 0 244.342 1.422 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000357070918 386712712 /nfs/dbraw/zinc/71/27/12/386712712.db2.gz IZXXVLPPEZKWMW-HNNXBMFYSA-N 2 0 248.370 1.526 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414834231 386722709 /nfs/dbraw/zinc/72/27/09/386722709.db2.gz HDFGLKNIZARGRH-MCIONIFRSA-N 3 0 239.407 1.496 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1cccc(COC)c1 ZINC000414836405 386725354 /nfs/dbraw/zinc/72/53/54/386725354.db2.gz JEAFDXPYWWTSOD-GFCCVEGCSA-N 2 0 236.359 1.778 20 0 BDADRP CCOCC[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC000191980644 386727213 /nfs/dbraw/zinc/72/72/13/386727213.db2.gz HZIFKYRBYWMSDO-UHFFFAOYSA-N 2 0 249.358 1.549 20 0 BDADRP COCC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414836235 386728619 /nfs/dbraw/zinc/72/86/19/386728619.db2.gz UPZDYLTUCZFQRW-FOSCPWQOSA-N 2 0 226.364 1.532 20 0 BDADRP c1[nH]nc2c1cccc2C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414835467 386729092 /nfs/dbraw/zinc/72/90/92/386729092.db2.gz UEVJLQLOPDVOAR-NSHDSACASA-N 2 0 244.342 1.652 20 0 BDADRP CC(C)[C@@H]([NH3+])CCN(C)C[C@@]1(C)CC[NH2+]C1 ZINC000340707573 386747708 /nfs/dbraw/zinc/74/77/08/386747708.db2.gz INPRDMOHVGVVRP-STQMWFEESA-N 2 0 227.396 1.291 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+]C1Cc2ccccc2C1 ZINC000414841388 386754905 /nfs/dbraw/zinc/75/49/05/386754905.db2.gz NVDLEEYWPRJWBF-LLVKDONJSA-N 2 0 218.344 1.599 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+]CC2([NH3+])CCCCC2)CC[NH2+]1 ZINC000414842833 386755028 /nfs/dbraw/zinc/75/50/28/386755028.db2.gz NAHIAURLQRZSLU-CHWSQXEVSA-N 3 0 239.407 1.626 20 0 BDADRP N[C@@H](C[NH2+]C1CCC([NH3+])CC1)c1ccccc1 ZINC000414842964 386757033 /nfs/dbraw/zinc/75/70/33/386757033.db2.gz ZWAKAJNHMBVQAB-RUXDESIVSA-N 2 0 233.359 1.546 20 0 BDADRP C[C@]1(C[NH+]2CCC(CCCO)CC2)CC[NH2+]C1 ZINC000340712744 386761599 /nfs/dbraw/zinc/76/15/99/386761599.db2.gz QEAMVSCJGJOZQB-AWEZNQCLSA-N 2 0 240.391 1.471 20 0 BDADRP c1ncc(C[NH2+]CCCCC[NH+]2CCCC2)cn1 ZINC000292995294 386761797 /nfs/dbraw/zinc/76/17/97/386761797.db2.gz MPXDKARUEDHLSW-UHFFFAOYSA-N 2 0 248.374 1.832 20 0 BDADRP CC[NH2+]CCN[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000414842660 386763454 /nfs/dbraw/zinc/76/34/54/386763454.db2.gz IXFYOTCNTVAZRV-CABCVRRESA-N 2 0 247.386 1.679 20 0 BDADRP C[NH+](C)CC1CCC([NH2+]Cc2cocn2)CC1 ZINC000192335443 386764340 /nfs/dbraw/zinc/76/43/40/386764340.db2.gz LJQLHRFYJUVHLZ-UHFFFAOYSA-N 2 0 237.347 1.885 20 0 BDADRP CC1(C)CCC[NH2+][C@@H]1CNCC1(C[NH3+])CC1 ZINC000414931604 386765655 /nfs/dbraw/zinc/76/56/55/386765655.db2.gz ROJWDQSBDMHQMZ-LLVKDONJSA-N 2 0 225.380 1.093 20 0 BDADRP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1CC[NH3+] ZINC000357358884 386768184 /nfs/dbraw/zinc/76/81/84/386768184.db2.gz XNDPCNJYRUXMMF-LBPRGKRZSA-N 2 0 241.379 1.057 20 0 BDADRP [NH3+][C@@H](CNC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000414838915 386742676 /nfs/dbraw/zinc/74/26/76/386742676.db2.gz VXJGBLQAOSRJBV-OCCSQVGLSA-N 2 0 233.359 1.276 20 0 BDADRP [NH3+]C[C@H](NC[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000414839619 386744406 /nfs/dbraw/zinc/74/44/06/386744406.db2.gz LQEWAICKOQSVLX-JSGCOSHPSA-N 2 0 239.407 1.483 20 0 BDADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)C[C@H](C)[NH3+] ZINC000417832316 386793002 /nfs/dbraw/zinc/79/30/02/386793002.db2.gz LFHDPVSXMCGGFO-GWCFXTLKSA-N 2 0 249.358 1.102 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000020439800 386793379 /nfs/dbraw/zinc/79/33/79/386793379.db2.gz KVSXYXMZLSWKBW-LBPRGKRZSA-N 2 0 219.332 1.642 20 0 BDADRP CCc1cc(N2CCC[N@H+](C)CC2)cc[nH+]1 ZINC000334773582 386824587 /nfs/dbraw/zinc/82/45/87/386824587.db2.gz SEXIRSVHCQVDND-UHFFFAOYSA-N 2 0 219.332 1.786 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000398595285 386850252 /nfs/dbraw/zinc/85/02/52/386850252.db2.gz WWGVOLFNSZWCTP-AVGNSLFASA-N 2 0 228.380 1.645 20 0 BDADRP COC1CCC([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000334845286 386892117 /nfs/dbraw/zinc/89/21/17/386892117.db2.gz FDHXNJDUHJFVQS-CQLXCSJHSA-N 2 0 226.364 1.804 20 0 BDADRP CC[NH+]1CCC(N[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000334833035 386870775 /nfs/dbraw/zinc/87/07/75/386870775.db2.gz LYLNHECFXKSMGJ-NSHDSACASA-N 2 0 247.333 1.058 20 0 BDADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1cccnc1 ZINC000051919447 386872418 /nfs/dbraw/zinc/87/24/18/386872418.db2.gz DSXLOAXSQLBCCE-CYBMUJFWSA-N 2 0 233.359 1.903 20 0 BDADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)C[C@@H]1CCCCO1 ZINC000051919145 386872728 /nfs/dbraw/zinc/87/27/28/386872728.db2.gz RCCOLFKNZUXYTP-KGLIPLIRSA-N 2 0 240.391 1.877 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000331645886 386878792 /nfs/dbraw/zinc/87/87/92/386878792.db2.gz UQAYDIWPYCUSDR-HJPIBITLSA-N 2 0 245.370 1.848 20 0 BDADRP CC1([NH2+]Cc2ccc3c[nH]nc3c2)CC[NH2+]CC1 ZINC000334840229 386884736 /nfs/dbraw/zinc/88/47/36/386884736.db2.gz BQMURXCGIDNYPE-UHFFFAOYSA-N 2 0 244.342 1.795 20 0 BDADRP CO[C@H]1C[C@H]([NH2+]C2CCN(C)CC2)C12CCC2 ZINC000308389207 386895069 /nfs/dbraw/zinc/89/50/69/386895069.db2.gz ICLYVSWTGUJJRB-STQMWFEESA-N 2 0 238.375 1.628 20 0 BDADRP COc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414940988 386889071 /nfs/dbraw/zinc/88/90/71/386889071.db2.gz CFTXKPQBRMGGDN-WCQYABFASA-N 2 0 234.343 1.925 20 0 BDADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]C2Cc3ccccc3C2)C1 ZINC000334865488 386921731 /nfs/dbraw/zinc/92/17/31/386921731.db2.gz USGDMLYXOCWNER-BXUZGUMPSA-N 2 0 230.355 1.871 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000331899813 386923258 /nfs/dbraw/zinc/92/32/58/386923258.db2.gz RCRZAZRTDWCGJZ-XQQFMLRXSA-N 2 0 228.380 1.501 20 0 BDADRP CC1(C)CCCN[C@@H]1C[NH2+]C1CCC([NH3+])CC1 ZINC000334867037 386923389 /nfs/dbraw/zinc/92/33/89/386923389.db2.gz ZESWZQAYAPSGEL-WXRRBKDZSA-N 2 0 239.407 1.624 20 0 BDADRP Cc1c[nH]nc1CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000334870979 386931064 /nfs/dbraw/zinc/93/10/64/386931064.db2.gz VXBIMFAHJURHJN-OCCSQVGLSA-N 2 0 248.374 1.682 20 0 BDADRP CO[C@]1(C)C[C@H]([NH2+][C@@H]2CN(C)C[C@@H]2C)C1(C)C ZINC000358396807 386947820 /nfs/dbraw/zinc/94/78/20/386947820.db2.gz JSXVSGDFKHZAAA-KZVDOYCCSA-N 2 0 240.391 1.730 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1NC[C@H]1CCC[NH2+]C1 ZINC000332265257 386969105 /nfs/dbraw/zinc/96/91/05/386969105.db2.gz CSMJFZMZXYFRQC-YNEHKIRRSA-N 2 0 225.380 1.236 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000332345062 386970192 /nfs/dbraw/zinc/97/01/92/386970192.db2.gz OGLQDHUGMKQGRF-MJBXVCDLSA-N 3 0 239.407 1.626 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN[C@@H]1CCCC[NH2+]C1 ZINC000332042162 386948205 /nfs/dbraw/zinc/94/82/05/386948205.db2.gz ULTUWSHPIUBHIU-VXGBXAGGSA-N 2 0 213.369 1.092 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@@H]1CCCC[NH2+]C1 ZINC000332042158 386948711 /nfs/dbraw/zinc/94/87/11/386948711.db2.gz ULTUWSHPIUBHIU-NWDGAFQWSA-N 2 0 213.369 1.092 20 0 BDADRP CC(C)(C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])C(N)=O ZINC000332058568 386951709 /nfs/dbraw/zinc/95/17/09/386951709.db2.gz XYWBJVYADPOVPA-UWVGGRQHSA-N 2 0 227.352 1.797 20 0 BDADRP C[C@@H]1CC[NH2+][C@@H](C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000334955598 387034306 /nfs/dbraw/zinc/03/43/06/387034306.db2.gz MCRFHUXTSVSVLQ-ZWNOBZJWSA-N 2 0 247.342 1.472 20 0 BDADRP CC(C)(CO)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000168597292 387036890 /nfs/dbraw/zinc/03/68/90/387036890.db2.gz SCDDMVXOQUBKGQ-QWRGUYRKSA-N 2 0 214.353 1.112 20 0 BDADRP CCOC[C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000359201305 387067559 /nfs/dbraw/zinc/06/75/59/387067559.db2.gz ZTDKIGHBVQLKQS-CQSZACIVSA-N 2 0 240.391 1.735 20 0 BDADRP CCn1cncc1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000334964740 387045439 /nfs/dbraw/zinc/04/54/39/387045439.db2.gz CPPZVFZHQRNOCD-GXTWGEPZSA-N 2 0 249.358 1.904 20 0 BDADRP [NH3+][C@@H]1C[C@@H](N[C@@H]2CCCC[NH2+]C2)c2ccccc21 ZINC000333829224 387058008 /nfs/dbraw/zinc/05/80/08/387058008.db2.gz MFOLTDJBZAVHOA-KCPJHIHWSA-N 2 0 245.370 1.863 20 0 BDADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)CC[C@H](C)[NH3+] ZINC000070315057 387064005 /nfs/dbraw/zinc/06/40/05/387064005.db2.gz FSRZWLNFPASERK-NWDGAFQWSA-N 2 0 243.395 1.206 20 0 BDADRP CC(C)C[C@@H](CNC(=O)CC[C@@H](C)[NH3+])[NH+](C)C ZINC000070317488 387065229 /nfs/dbraw/zinc/06/52/29/387065229.db2.gz QYDMITRCMGFPHJ-NEPJUHHUSA-N 2 0 243.395 1.206 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000228084168 387065588 /nfs/dbraw/zinc/06/55/88/387065588.db2.gz BNBMLJVEASXZRL-PDWCTOEPSA-N 2 0 240.391 1.656 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000333281897 387025034 /nfs/dbraw/zinc/02/50/34/387025034.db2.gz MQHGKIRLNAYKIN-UHTWSYAYSA-N 2 0 248.374 1.374 20 0 BDADRP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH3+])[NH+](CC)CC ZINC000359431069 387100579 /nfs/dbraw/zinc/10/05/79/387100579.db2.gz TYKLYHCNUSWQNN-NEPJUHHUSA-N 2 0 241.379 1.057 20 0 BDADRP CC[C@@](C)(CCO)NCC[NH2+]C(C)(C)C ZINC000228637442 387115120 /nfs/dbraw/zinc/11/51/20/387115120.db2.gz FGIFEZHFFDOQCK-LBPRGKRZSA-N 2 0 216.369 1.515 20 0 BDADRP C[C@@H]1CSC[C@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000335025337 387116462 /nfs/dbraw/zinc/11/64/62/387116462.db2.gz IXVDUTKZQYAUST-HBIQZDMRSA-N 2 0 228.405 1.845 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000423299959 387132004 /nfs/dbraw/zinc/13/20/04/387132004.db2.gz QOXGNBHIVFQXMO-BFHYXJOUSA-N 2 0 239.407 1.720 20 0 BDADRP CC(C)[C@H]([NH2+]C[C@H](C)C[NH3+])c1cccnc1 ZINC000423299411 387128936 /nfs/dbraw/zinc/12/89/36/387128936.db2.gz QCUVLMGNILGPPV-YPMHNXCESA-N 2 0 221.348 1.963 20 0 BDADRP CCn1cc([C@@H](C)[NH2+]C[C@@H](C)C[NH3+])cn1 ZINC000423299398 387129289 /nfs/dbraw/zinc/12/92/89/387129289.db2.gz QBCSTFPPKTVBLS-VHSXEESVSA-N 2 0 210.325 1.148 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000423299558 387129416 /nfs/dbraw/zinc/12/94/16/387129416.db2.gz BWLUQMDQUOIPMN-BDAKNGLRSA-N 2 0 211.284 1.466 20 0 BDADRP Cc1ccnc([C@@H](C)[NH2+]C[C@@H](C)C[NH3+])c1 ZINC000423299290 387129548 /nfs/dbraw/zinc/12/95/48/387129548.db2.gz BPXDKBRMLGHZQV-WDEREUQCSA-N 2 0 207.321 1.635 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000423298877 387129762 /nfs/dbraw/zinc/12/97/62/387129762.db2.gz PBLZOVWFHYUUPX-MGPQQGTHSA-N 2 0 241.423 1.824 20 0 BDADRP CC[C@H]([NH2+]C[C@@H](C)C[NH3+])C1(C(=O)OC)CCC1 ZINC000423299564 387130010 /nfs/dbraw/zinc/13/00/10/387130010.db2.gz BWRRIARKUKGBNB-QWRGUYRKSA-N 2 0 242.363 1.293 20 0 BDADRP C[C@@H]([NH2+]CC1C[NH2+]C1)[C@H](C)c1ccccc1 ZINC000423306203 387141342 /nfs/dbraw/zinc/14/13/42/387141342.db2.gz SMIHNUIZAUIUHN-NWDGAFQWSA-N 2 0 218.344 1.988 20 0 BDADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H](C)C[NH3+])[C@H]1C ZINC000423306528 387141495 /nfs/dbraw/zinc/14/14/95/387141495.db2.gz LPUFMOJXCDJZNZ-RHYQMDGZSA-N 2 0 242.363 1.149 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@H](C)CCCc1cccnc1 ZINC000423312446 387148408 /nfs/dbraw/zinc/14/84/08/387148408.db2.gz VEZLMUKHUZKUKA-CHWSQXEVSA-N 2 0 235.375 1.977 20 0 BDADRP CCC[NH2+]CC[NH2+][C@@H](C)CCCOC ZINC000423310793 387148482 /nfs/dbraw/zinc/14/84/82/387148482.db2.gz OLHYWCOBIKKHMT-NSHDSACASA-N 2 0 202.342 1.391 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423310948 387149404 /nfs/dbraw/zinc/14/94/04/387149404.db2.gz AZQMAPKJODONCM-XQQFMLRXSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)C1CCSCC1 ZINC000423310922 387149640 /nfs/dbraw/zinc/14/96/40/387149640.db2.gz SPLZNCOGZIKXDQ-ZJUUUORDSA-N 2 0 216.394 1.703 20 0 BDADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)C[NH3+] ZINC000423312477 387151141 /nfs/dbraw/zinc/15/11/41/387151141.db2.gz VFTQUVKBDAKCFH-WOPDTQHZSA-N 2 0 214.353 1.376 20 0 BDADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@@H](C)C[NH3+] ZINC000423314641 387153172 /nfs/dbraw/zinc/15/31/72/387153172.db2.gz YQKBDLKUXDFSJY-SCRDCRAPSA-N 2 0 236.359 1.947 20 0 BDADRP C([NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)C1C[NH2+]C1 ZINC000423314100 387153911 /nfs/dbraw/zinc/15/39/11/387153911.db2.gz GNHLAMLTRSZOFU-FRRDWIJNSA-N 2 0 236.359 1.143 20 0 BDADRP COC[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)C1CCCC1 ZINC000423314206 387154552 /nfs/dbraw/zinc/15/45/52/387154552.db2.gz GUJXGEHLDCFRTB-OLZOCXBDSA-N 2 0 226.364 1.519 20 0 BDADRP CCC[NH2+]CC[NH2+][C@@H]1CCC[C@H]1CCOC ZINC000423316872 387156041 /nfs/dbraw/zinc/15/60/41/387156041.db2.gz YIRHWXBWBJQNQS-QWHCGFSZSA-N 2 0 228.380 1.781 20 0 BDADRP CCC[NH2+]CC[NH2+][C@@H]1CCC[C@@H]1CCOC ZINC000423316870 387156205 /nfs/dbraw/zinc/15/62/05/387156205.db2.gz YIRHWXBWBJQNQS-CHWSQXEVSA-N 2 0 228.380 1.781 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CCCC[NH3+])[C@H]2CCC[C@@H]21 ZINC000423316624 387157150 /nfs/dbraw/zinc/15/71/50/387157150.db2.gz BXSRDDYIGZNZHL-AGIUHOORSA-N 3 0 225.380 1.188 20 0 BDADRP CC1(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])CC[NH2+]CC1 ZINC000423319547 387161047 /nfs/dbraw/zinc/16/10/47/387161047.db2.gz DLLDXHNVMVURSO-NWDGAFQWSA-N 3 0 225.380 1.093 20 0 BDADRP C([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)[C@H]1CC[NH2+]C1 ZINC000423329908 387172239 /nfs/dbraw/zinc/17/22/39/387172239.db2.gz FOUJEODIFJIARY-UMSGYPCISA-N 2 0 236.359 1.143 20 0 BDADRP CCCCOCCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000229341062 387173947 /nfs/dbraw/zinc/17/39/47/387173947.db2.gz JUDBVFMRIZMLKY-CHWSQXEVSA-N 2 0 228.380 1.910 20 0 BDADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCC[NH3+])[C@H]1C ZINC000423335029 387181004 /nfs/dbraw/zinc/18/10/04/387181004.db2.gz TVELBITVGPFMFQ-SRVKXCTJSA-N 2 0 242.363 1.293 20 0 BDADRP C1=C(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC[NH2+]C1 ZINC000423335824 387183347 /nfs/dbraw/zinc/18/33/47/387183347.db2.gz GPJUBIFURXOCSV-MCIONIFRSA-N 2 0 248.370 1.453 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000120117015 387186474 /nfs/dbraw/zinc/18/64/74/387186474.db2.gz CZVKNPDUXLJVBD-GVXVVHGQSA-N 2 0 224.348 1.238 20 0 BDADRP C[C@@H](NC[C@@]1(C)CCC[NH2+]C1)[C@H]1CCCC[NH2+]1 ZINC000423337573 387186698 /nfs/dbraw/zinc/18/66/98/387186698.db2.gz KHVPWBOROJCQDE-MCIONIFRSA-N 2 0 239.407 1.496 20 0 BDADRP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423338331 387188696 /nfs/dbraw/zinc/18/86/96/387188696.db2.gz YUUFLJSGGQIOAO-OLZOCXBDSA-N 2 0 236.363 1.235 20 0 BDADRP CCOc1ccc([C@@H](C)[NH2+]CC2C[NH2+]C2)cc1 ZINC000423301870 387134851 /nfs/dbraw/zinc/13/48/51/387134851.db2.gz IIKZRXOUDXKPLS-LLVKDONJSA-N 2 0 234.343 1.955 20 0 BDADRP CN(CC[C@@H]1CCC[N@@H+]1C)CC[NH+](C)C1CC1 ZINC000186792275 387135129 /nfs/dbraw/zinc/13/51/29/387135129.db2.gz VZJMDYHMUYXWHB-ZDUSSCGKSA-N 2 0 239.407 1.497 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)CC(=O)Nc1ccccc1 ZINC000423301478 387135412 /nfs/dbraw/zinc/13/54/12/387135412.db2.gz TWGNDMZAFSYMDK-NEPJUHHUSA-N 2 0 249.358 1.588 20 0 BDADRP CC(C)n1cc([C@H](C)[NH2+]C[C@@H](C)C[NH3+])cn1 ZINC000423303366 387136913 /nfs/dbraw/zinc/13/69/13/387136913.db2.gz WYFCKDRUAPBXLE-QWRGUYRKSA-N 2 0 224.352 1.709 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000423305034 387139336 /nfs/dbraw/zinc/13/93/36/387139336.db2.gz ZZNQAERXMFOKPV-RWMBFGLXSA-N 2 0 227.396 1.576 20 0 BDADRP C[C@@H](CCc1cccc(F)c1)[NH2+]CC1C[NH2+]C1 ZINC000423305289 387140122 /nfs/dbraw/zinc/14/01/22/387140122.db2.gz QKNCBVWIQCMIDE-NSHDSACASA-N 2 0 236.334 1.956 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CCCCCO)c2ccccc21 ZINC000229108680 387141123 /nfs/dbraw/zinc/14/11/23/387141123.db2.gz FHKVJWKMLLKFKT-KGLIPLIRSA-N 2 0 234.343 1.883 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)[C@H]1CCCOC1 ZINC000423356847 387206638 /nfs/dbraw/zinc/20/66/38/387206638.db2.gz HHAHSCUENOMZDC-RWMBFGLXSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]1C[C@H](NCC[C@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000423356706 387208116 /nfs/dbraw/zinc/20/81/16/387208116.db2.gz HFPOMIPCJQPLBP-JHJVBQTASA-N 2 0 225.380 1.201 20 0 BDADRP Cc1ccnc([C@@H](C)[NH2+]CC2=CC[NH2+]CC2)c1 ZINC000423355799 387208413 /nfs/dbraw/zinc/20/84/13/387208413.db2.gz PMQKPGRCBRNZRM-GFCCVEGCSA-N 2 0 231.343 1.960 20 0 BDADRP C[C@@H]1CCC[C@H]([NH2+]CCOCC[NH+](C)C)[C@H]1C ZINC000300425003 387211824 /nfs/dbraw/zinc/21/18/24/387211824.db2.gz OXEHLQLLBOYZAB-RDBSUJKOSA-N 2 0 242.407 1.979 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)[C@H]1CCCO1 ZINC000423362087 387212825 /nfs/dbraw/zinc/21/28/25/387212825.db2.gz MSRUHQHVSUMVMI-QJPTWQEYSA-N 2 0 212.337 1.286 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CNCC[C@@H]1C ZINC000423360420 387213570 /nfs/dbraw/zinc/21/35/70/387213570.db2.gz LJTLKKLACYHJSP-QJPTWQEYSA-N 2 0 213.369 1.092 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000423363319 387214748 /nfs/dbraw/zinc/21/47/48/387214748.db2.gz BUMXJIPAKBLGHC-MROQNXINSA-N 2 0 225.380 1.092 20 0 BDADRP CO[C@@H]1[C@@H](C)[C@H]([NH2+]CC[C@H]2CCC[NH2+]2)C1(C)C ZINC000423364471 387215174 /nfs/dbraw/zinc/21/51/74/387215174.db2.gz OOTBVGFHSJWPNB-QNWHQSFQSA-N 2 0 240.391 1.778 20 0 BDADRP CO[C@@H]1CC[N@H+](Cc2cccc3nccn32)C1 ZINC000336386423 387215644 /nfs/dbraw/zinc/21/56/44/387215644.db2.gz OQQZWTVOAPNJND-GFCCVEGCSA-N 2 0 231.299 1.555 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000423366943 387217736 /nfs/dbraw/zinc/21/77/36/387217736.db2.gz LXTVPSSKSBTJJR-RVMXOQNASA-N 3 0 225.380 1.363 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423366716 387219103 /nfs/dbraw/zinc/21/91/03/387219103.db2.gz QIBWBPVFYUMHEF-BZPMIXESSA-N 2 0 237.391 1.201 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000423365929 387219305 /nfs/dbraw/zinc/21/93/05/387219305.db2.gz CFFKMOJDJLFMHK-HKUMRIAESA-N 2 0 237.391 1.199 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCC[C@@H]1COCC ZINC000423367737 387220891 /nfs/dbraw/zinc/22/08/91/387220891.db2.gz ALXFQKJLEMABRS-JHJVBQTASA-N 2 0 228.380 1.779 20 0 BDADRP C[C@H](NC[C@@H]1[NH2+]CCc2ccccc21)C1C[NH2+]C1 ZINC000423424945 387252978 /nfs/dbraw/zinc/25/29/78/387252978.db2.gz LYLTYJCRDSIHRM-NHYWBVRUSA-N 2 0 245.370 1.071 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423372522 387226327 /nfs/dbraw/zinc/22/63/27/387226327.db2.gz VXHSQNACFROTJP-XQQFMLRXSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@H](NC[C@]1(C)CCC[NH2+]C1)c1c[nH+]ccc1N ZINC000423325360 387228505 /nfs/dbraw/zinc/22/85/05/387228505.db2.gz BTMKQXACYAWZCQ-SMDDNHRTSA-N 2 0 248.374 1.534 20 0 BDADRP C[NH2+][C@@H](C)C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423397615 387232954 /nfs/dbraw/zinc/23/29/54/387232954.db2.gz SRLZUOFRNJPFRM-QNWHQSFQSA-N 2 0 238.375 1.532 20 0 BDADRP CC[C@@H]1CC[C@H]1[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000423413610 387245911 /nfs/dbraw/zinc/24/59/11/387245911.db2.gz LAQSPKCJXJOSFS-UPJWGTAASA-N 2 0 226.364 1.533 20 0 BDADRP Cc1cnc(CN2CCCC[C@@H]2CC[NH3+])o1 ZINC000352488142 387247177 /nfs/dbraw/zinc/24/71/77/387247177.db2.gz MSUARXGIZBEKCL-LLVKDONJSA-N 2 0 223.320 1.686 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CCC[NH2+]1 ZINC000423420666 387250500 /nfs/dbraw/zinc/25/05/00/387250500.db2.gz JMRBZCUKFVNRRT-XUXIUFHCSA-N 3 0 239.407 1.482 20 0 BDADRP FCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423422375 387250698 /nfs/dbraw/zinc/25/06/98/387250698.db2.gz CQFXFGTVBDAXGZ-HHHUOAJASA-N 2 0 212.312 1.322 20 0 BDADRP CCC1(CC)[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@@H]1OC ZINC000423426721 387252350 /nfs/dbraw/zinc/25/23/50/387252350.db2.gz HWBMDKZBTAUWHT-FHUSYTEZSA-N 2 0 238.375 1.388 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCC[NH2+]1 ZINC000423461968 387310677 /nfs/dbraw/zinc/31/06/77/387310677.db2.gz DAXXMXQLFQRZJO-WUHRBBMRSA-N 3 0 225.380 1.234 20 0 BDADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]([NH3+])CC ZINC000423462167 387310842 /nfs/dbraw/zinc/31/08/42/387310842.db2.gz KNDYISUNLRDYCG-TUAOUCFPSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@H](C[NH3+])CNC(=O)c1ccccc1C[NH+](C)C ZINC000423461667 387311015 /nfs/dbraw/zinc/31/10/15/387311015.db2.gz SYNDONZPKUJVLY-LLVKDONJSA-N 2 0 249.358 1.073 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)[C@H]1CCCO1 ZINC000423429299 387255233 /nfs/dbraw/zinc/25/52/33/387255233.db2.gz SIHADAMQLYVWKR-XDQVBPFNSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353687442 387259056 /nfs/dbraw/zinc/25/90/56/387259056.db2.gz ZYHZSWBNAJXMPT-YHQUGGNUSA-N 2 0 240.391 1.608 20 0 BDADRP CC1(C)CCC[NH2+][C@@H]1CN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000423387539 387271725 /nfs/dbraw/zinc/27/17/25/387271725.db2.gz MCMCRJATVQDCRP-JHJVBQTASA-N 2 0 239.407 1.482 20 0 BDADRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccn2C)C1 ZINC000161851667 387273907 /nfs/dbraw/zinc/27/39/07/387273907.db2.gz DMAMVTJHHTVAJB-ZDUSSCGKSA-N 2 0 235.375 1.847 20 0 BDADRP CC[NH2+]CCC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000643498829 387277957 /nfs/dbraw/zinc/27/79/57/387277957.db2.gz HFFJLQHPEIZRPN-GFCCVEGCSA-N 2 0 227.396 1.306 20 0 BDADRP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1C[C@H]1c1ccccc1 ZINC000423433597 387283278 /nfs/dbraw/zinc/28/32/78/387283278.db2.gz PIIIFVIHZFXJQK-UUQGLZGGSA-N 2 0 242.366 1.986 20 0 BDADRP Cn1cc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000459746136 387284425 /nfs/dbraw/zinc/28/44/25/387284425.db2.gz YZRJKOQLMIZNQE-LBPRGKRZSA-N 2 0 236.363 1.242 20 0 BDADRP CC[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1CC1(C)C ZINC000423434081 387285636 /nfs/dbraw/zinc/28/56/36/387285636.db2.gz PSMXKHRBJKDFEJ-KZZRWZIVSA-N 2 0 208.349 1.619 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C12CCC2 ZINC000423434038 387286339 /nfs/dbraw/zinc/28/63/39/387286339.db2.gz NRQXUAOXEBDKDJ-MLGHIDQZSA-N 2 0 236.359 1.142 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H]1NCCc2ccccc21 ZINC000423437308 387287690 /nfs/dbraw/zinc/28/76/90/387287690.db2.gz UHQBDLVSOXNYMW-SWLSCSKDSA-N 2 0 247.386 1.590 20 0 BDADRP COC[C@]1(C[NH2+][C@@H](C)C2CCCC2)CCC[NH2+]1 ZINC000423439090 387288608 /nfs/dbraw/zinc/28/86/08/387288608.db2.gz VEXFYDRLDBOVJD-GXTWGEPZSA-N 2 0 240.391 1.923 20 0 BDADRP CC(C)(O)C[NH2+][C@@H]1CCN(C2CCCC2)C1 ZINC000514825483 387290006 /nfs/dbraw/zinc/29/00/06/387290006.db2.gz XEZSUSLQXSPSMS-LLVKDONJSA-N 2 0 226.364 1.364 20 0 BDADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000423439423 387290328 /nfs/dbraw/zinc/29/03/28/387290328.db2.gz AARRLJPBLJCDRI-PDWCTOEPSA-N 2 0 240.391 1.907 20 0 BDADRP C[C@H](C[C@@H]1CCOC1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000643462031 387297330 /nfs/dbraw/zinc/29/73/30/387297330.db2.gz YQKLKAQGCCFFSS-ZIHBUVQPSA-N 2 0 240.391 1.909 20 0 BDADRP CCOC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)CCC[NH3+] ZINC000423453996 387302626 /nfs/dbraw/zinc/30/26/26/387302626.db2.gz LEDOZZDPHZACSO-RWMBFGLXSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CCCC[NH2+]1 ZINC000423459914 387309309 /nfs/dbraw/zinc/30/93/09/387309309.db2.gz AHSYPFYPJULYFM-RFQIPJPRSA-N 3 0 239.407 1.624 20 0 BDADRP C[C@@H](CCC[NH3+])N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423527286 387355180 /nfs/dbraw/zinc/35/51/80/387355180.db2.gz MFPIXZDIFGAOHB-AEGPPILISA-N 2 0 247.386 1.459 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)C1CCCC1 ZINC000423525651 387355442 /nfs/dbraw/zinc/35/54/42/387355442.db2.gz UNOLECPXQGFREP-YPMHNXCESA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H](CC[NH3+])NC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000423527239 387356218 /nfs/dbraw/zinc/35/62/18/387356218.db2.gz MCUNTUVGWFCISZ-PWSUYJOCSA-N 2 0 241.379 1.138 20 0 BDADRP C[C@@H](NC[C@H]1CCCC[NH2+]1)[C@H]1CCCC[NH2+]1 ZINC000643502220 387362844 /nfs/dbraw/zinc/36/28/44/387362844.db2.gz ADMBMBLVUIMNFJ-JHJVBQTASA-N 2 0 225.380 1.249 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000423481548 387364513 /nfs/dbraw/zinc/36/45/13/387364513.db2.gz WVPXGTNHHCKIJT-YFKTTZPYSA-N 2 0 226.364 1.517 20 0 BDADRP CC[C@H](NC[C@H]1CCCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000643502479 387366633 /nfs/dbraw/zinc/36/66/33/387366633.db2.gz HREGYNRFXBPKKF-AGIUHOORSA-N 2 0 225.380 1.249 20 0 BDADRP CC[C@@H]([NH2+]CCC1=CC[NH2+]CC1)[C@H]1CCOC1 ZINC000423542828 387368233 /nfs/dbraw/zinc/36/82/33/387368233.db2.gz UIPIBBWHCYAMNE-UONOGXRCSA-N 2 0 238.375 1.701 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1NCCC[NH2+]C1CC1 ZINC000423543801 387369095 /nfs/dbraw/zinc/36/90/95/387369095.db2.gz CDWPHZSWWZUTFU-STQMWFEESA-N 2 0 225.380 1.378 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1NCCC[NH2+]C1CC1 ZINC000423549745 387372945 /nfs/dbraw/zinc/37/29/45/387372945.db2.gz IEBLLKAUOPJJLP-YPMHNXCESA-N 2 0 225.380 1.106 20 0 BDADRP C[C@@H]1C[C@@H](N[C@@H]2CCCC[NH2+]C2)CC[N@@H+]1C ZINC000423555074 387375718 /nfs/dbraw/zinc/37/57/18/387375718.db2.gz LQDFVBFFCJUWKH-FRRDWIJNSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H]1COCC[C@H]1[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423568583 387377070 /nfs/dbraw/zinc/37/70/70/387377070.db2.gz VPTRFWIYWYLVLH-GRYCIOLGSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@@H]1CCCC[NH2+]C1 ZINC000423566316 387377740 /nfs/dbraw/zinc/37/77/40/387377740.db2.gz UBUYHDUNTBABQD-YRGRVCCFSA-N 2 0 237.391 1.201 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423475565 387321197 /nfs/dbraw/zinc/32/11/97/387321197.db2.gz QAYBHAZCRCHLJR-QCNOEVLYSA-N 2 0 214.353 1.517 20 0 BDADRP c1cn(C2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)cn1 ZINC000336495830 387321184 /nfs/dbraw/zinc/32/11/84/387321184.db2.gz DDRCJMGVYWGWBO-CYBMUJFWSA-N 3 0 248.374 1.520 20 0 BDADRP C[C@H]([NH3+])[C@H](C)N[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423475107 387321265 /nfs/dbraw/zinc/32/12/65/387321265.db2.gz RMWSNEJBZMQHQX-ODXJTPSBSA-N 2 0 239.407 1.623 20 0 BDADRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccn(C)n1 ZINC000423477559 387324851 /nfs/dbraw/zinc/32/48/51/387324851.db2.gz KAZCUCGWWUVCHS-NEPJUHHUSA-N 2 0 236.363 1.603 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCN(CC2CC2)C1 ZINC000643462729 387326510 /nfs/dbraw/zinc/32/65/10/387326510.db2.gz IEWVVWOEQUQMKD-TZMCWYRMSA-N 3 0 239.407 1.578 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCN(CC2CC2)C1 ZINC000643462728 387327556 /nfs/dbraw/zinc/32/75/56/387327556.db2.gz IEWVVWOEQUQMKD-OCCSQVGLSA-N 3 0 239.407 1.578 20 0 BDADRP Cc1cc(N)cc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000423483112 387330144 /nfs/dbraw/zinc/33/01/44/387330144.db2.gz RZZHDQOXVCYQRT-OCCSQVGLSA-N 2 0 233.359 1.794 20 0 BDADRP CCN1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000423485657 387331485 /nfs/dbraw/zinc/33/14/85/387331485.db2.gz BBXRHCYWUSOAOR-QNWHQSFQSA-N 2 0 225.380 1.044 20 0 BDADRP CC[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1cnn(C)c1 ZINC000423491819 387335204 /nfs/dbraw/zinc/33/52/04/387335204.db2.gz KLHXIISJAQPDCN-DRZSPHRISA-N 2 0 236.363 1.588 20 0 BDADRP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C1 ZINC000423492543 387335373 /nfs/dbraw/zinc/33/53/73/387335373.db2.gz NODGROTYBCBVJY-RFGFWPKPSA-N 2 0 240.391 1.779 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)[C@H]1C[C@@H]1C ZINC000423492298 387337081 /nfs/dbraw/zinc/33/70/81/387337081.db2.gz MLYFXYBPHQRXFB-CYDGBPFRSA-N 2 0 226.364 1.389 20 0 BDADRP C[NH+](C)[C@H]1CCC[N@H+](CCn2cccn2)CC1 ZINC000372989089 387338055 /nfs/dbraw/zinc/33/80/55/387338055.db2.gz GCMXSGKOZKOSOJ-ZDUSSCGKSA-N 2 0 236.363 1.299 20 0 BDADRP CCc1ccccc1[C@@H]([NH3+])CN[C@H](C)C1C[NH2+]C1 ZINC000423494893 387338720 /nfs/dbraw/zinc/33/87/20/387338720.db2.gz BFKSTDDLDMPEMD-ABAIWWIYSA-N 2 0 247.386 1.446 20 0 BDADRP C[C@H](N[C@@H](C[NH3+])C1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000423517406 387349890 /nfs/dbraw/zinc/34/98/90/387349890.db2.gz YQFVVHOYYZGFHA-DRZSPHRISA-N 2 0 225.380 1.234 20 0 BDADRP CC[NH+]1CCC(CC[NH2+]Cc2cnccn2)CC1 ZINC000516006261 387447398 /nfs/dbraw/zinc/44/73/98/387447398.db2.gz XBEZVVBAYYNAGW-UHFFFAOYSA-N 2 0 248.374 1.688 20 0 BDADRP c1cn(CCC[N@@H+]2CCC[C@H]3COC[C@H]32)cn1 ZINC000374374413 387448447 /nfs/dbraw/zinc/44/84/47/387448447.db2.gz MLOPIAHBISFRHO-QWHCGFSZSA-N 2 0 235.331 1.384 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CC1(CO)CCCCC1 ZINC000643466261 387386421 /nfs/dbraw/zinc/38/64/21/387386421.db2.gz NNSJSLLVFCYVKY-RYUDHWBXSA-N 2 0 226.364 1.399 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC1(CO)CCCCC1 ZINC000643466295 387387643 /nfs/dbraw/zinc/38/76/43/387387643.db2.gz XBCYPFRVOFWJAS-NWDGAFQWSA-N 2 0 228.380 1.645 20 0 BDADRP CC[C@H](C(=O)N1CC[C@H]([NH3+])[C@@H]1C)[NH+](CC)CC ZINC000423655032 387391604 /nfs/dbraw/zinc/39/16/04/387391604.db2.gz UPXBHZLMYCQKFE-SDDRHHMPSA-N 2 0 241.379 1.055 20 0 BDADRP CC(C)[C@@H](C(=O)N[C@H](C)CCCC[NH3+])[C@H](C)[NH3+] ZINC000423701280 387400643 /nfs/dbraw/zinc/40/06/43/387400643.db2.gz WFYIYBUOPBKDPC-GRYCIOLGSA-N 2 0 243.395 1.240 20 0 BDADRP COC(C)(C)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000122230220 387500836 /nfs/dbraw/zinc/50/08/36/387500836.db2.gz LWKQILSUPXENCC-GRYCIOLGSA-N 2 0 228.380 1.730 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000367385569 387527770 /nfs/dbraw/zinc/52/77/70/387527770.db2.gz JWZQYMDCTRFXEU-GHMZBOCLSA-N 2 0 241.379 1.008 20 0 BDADRP FCCCCC[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000310093708 387533584 /nfs/dbraw/zinc/53/35/84/387533584.db2.gz GQRIKGXNPOVJJJ-CYBMUJFWSA-N 2 0 243.370 1.106 20 0 BDADRP C[C@@H](O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000192795674 387535088 /nfs/dbraw/zinc/53/50/88/387535088.db2.gz BIOQTTJBFYCJEW-FRRDWIJNSA-N 2 0 240.391 1.610 20 0 BDADRP CC[N@H+](C)C[C@@H]1CCN(CC2(F)CC2)C1 ZINC000527219254 387540033 /nfs/dbraw/zinc/54/00/33/387540033.db2.gz AAAVESHKBOSXQJ-NSHDSACASA-N 2 0 214.328 1.762 20 0 BDADRP [NH3+]CCNC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424061254 387474509 /nfs/dbraw/zinc/47/45/09/387474509.db2.gz RSPDHGSXQKUEHR-GFCCVEGCSA-N 2 0 241.379 1.139 20 0 BDADRP C[N@@H+]1CC[C@H](NCC[NH2+]C2CC2)[C@@H]2CCC[C@H]21 ZINC000643507931 387481718 /nfs/dbraw/zinc/48/17/18/387481718.db2.gz WMGWQIIVMFTSTH-MELADBBJSA-N 2 0 237.391 1.201 20 0 BDADRP [NH3+][C@@H]1C[C@@H](NCC[NH2+]C2CC2)c2ccccc21 ZINC000643508109 387483437 /nfs/dbraw/zinc/48/34/37/387483437.db2.gz KXVWIELMWBJBFD-ZIAGYGMSSA-N 2 0 231.343 1.473 20 0 BDADRP CCC1(O)CCC([NH2+][C@H](C)C[C@H](C)[NH3+])CC1 ZINC000643474164 387488905 /nfs/dbraw/zinc/48/89/05/387488905.db2.gz LGMZRBFJWQJLLW-ZFDZMSFRSA-N 2 0 228.380 1.786 20 0 BDADRP C[C@H]([NH2+][C@@H](CO)[C@@H](C)c1ccccc1)C1C[NH2+]C1 ZINC000643474453 387490301 /nfs/dbraw/zinc/49/03/01/387490301.db2.gz PLFDAOFLLPBVCR-HUBLWGQQSA-N 2 0 248.370 1.349 20 0 BDADRP CCCCC[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000304585936 387493553 /nfs/dbraw/zinc/49/35/53/387493553.db2.gz OVXHUNQVBDBGNR-CYBMUJFWSA-N 2 0 225.380 1.156 20 0 BDADRP C[NH+](C)CCCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000375851002 387586934 /nfs/dbraw/zinc/58/69/34/387586934.db2.gz KJUVZUYVYPQCMD-MCIONIFRSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@@]1(C)CCCO1 ZINC000428221562 387592672 /nfs/dbraw/zinc/59/26/72/387592672.db2.gz KWHKMRCUKQXRKB-TZMCWYRMSA-N 2 0 240.391 1.875 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+]CC(C)(C)[NH3+])C1 ZINC000643513316 387596201 /nfs/dbraw/zinc/59/62/01/387596201.db2.gz QYRQQMQPSUPVJA-ZJUUUORDSA-N 2 0 200.326 1.271 20 0 BDADRP Cc1cnn(CC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000123847094 387596274 /nfs/dbraw/zinc/59/62/74/387596274.db2.gz HEGRMUVDNYNBSV-STQMWFEESA-N 2 0 236.363 1.121 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@H]([NH3+])C2CCC2)cc1 ZINC000422541998 387596453 /nfs/dbraw/zinc/59/64/53/387596453.db2.gz PFTARSCFOBSEEZ-TVQRCGJNSA-N 2 0 247.342 1.772 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@H]([NH3+])C2CCC2)cc1 ZINC000422541996 387596735 /nfs/dbraw/zinc/59/67/35/387596735.db2.gz PFTARSCFOBSEEZ-NOZJJQNGSA-N 2 0 247.342 1.772 20 0 BDADRP C[C@H](CN[C@@H]1CCC[C@@H]1[NH3+])C[NH+]1CCCCC1 ZINC000422714093 387629199 /nfs/dbraw/zinc/62/91/99/387629199.db2.gz QRUPTGIRLFHQCR-HZSPNIEDSA-N 2 0 239.407 1.578 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000122840579 387607881 /nfs/dbraw/zinc/60/78/81/387607881.db2.gz WVMXBZHBRBYCNX-YNEHKIRRSA-N 2 0 228.380 1.325 20 0 BDADRP C[C@H](Cc1cccs1)[NH2+]CC1C[NH2+]C1 ZINC000643515977 387616752 /nfs/dbraw/zinc/61/67/52/387616752.db2.gz FDBUSAMLUXOYTB-SECBINFHSA-N 2 0 210.346 1.488 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422706622 387620656 /nfs/dbraw/zinc/62/06/56/387620656.db2.gz FNPZVIMJYIDTGH-LNFKQOIKSA-N 2 0 202.342 1.109 20 0 BDADRP CCCC[N@H+](C)CCN[C@@H]1CCC[C@@H]1[NH3+] ZINC000422708262 387622752 /nfs/dbraw/zinc/62/27/52/387622752.db2.gz ISTVTSITBPASTD-NWDGAFQWSA-N 2 0 213.369 1.188 20 0 BDADRP Cc1ccsc1C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422709703 387623810 /nfs/dbraw/zinc/62/38/10/387623810.db2.gz ZRUSTTAEWANMCE-SECBINFHSA-N 2 0 210.346 1.754 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)COC)[C@H](C)C1 ZINC000426339921 387556118 /nfs/dbraw/zinc/55/61/18/387556118.db2.gz YDQNNIBFKMXJFO-OLZOCXBDSA-N 2 0 242.407 1.979 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000305111206 387556302 /nfs/dbraw/zinc/55/63/02/387556302.db2.gz CZMNGSKMQOQLFI-MGPQQGTHSA-N 2 0 242.407 1.715 20 0 BDADRP C[NH+](C)CCN(C(=O)CCC[NH3+])C1CCCC1 ZINC000037825048 387567165 /nfs/dbraw/zinc/56/71/65/387567165.db2.gz HTPMDYLVRFLVTF-UHFFFAOYSA-N 2 0 241.379 1.058 20 0 BDADRP C[C@@H](NC[C@H](C)C[NH+]1CCCCC1)C1C[NH2+]C1 ZINC000422716672 387627828 /nfs/dbraw/zinc/62/78/28/387627828.db2.gz UYNQRBPDFCYSIN-QWHCGFSZSA-N 2 0 239.407 1.306 20 0 BDADRP Cc1ncsc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422742189 387632570 /nfs/dbraw/zinc/63/25/70/387632570.db2.gz PPGMZJSKCKXGOQ-YUMQZZPRSA-N 2 0 213.350 1.667 20 0 BDADRP CN(CC[N@@H+]1CCC[C@H](C[NH3+])C1)c1ccccc1 ZINC000430614288 387632914 /nfs/dbraw/zinc/63/29/14/387632914.db2.gz XWFVYIRGBNKRSW-CQSZACIVSA-N 2 0 247.386 1.794 20 0 BDADRP COCCC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422728058 387635415 /nfs/dbraw/zinc/63/54/15/387635415.db2.gz DWWZNNKVSAEFDO-QWRGUYRKSA-N 2 0 200.326 1.001 20 0 BDADRP CO[C@H](CN[C@@H]1C[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000422730406 387637972 /nfs/dbraw/zinc/63/79/72/387637972.db2.gz DUZGTTJDRTXNQN-NWANDNLSSA-N 2 0 248.370 1.962 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCC1CC[NH+](C)CC1 ZINC000422733653 387639827 /nfs/dbraw/zinc/63/98/27/387639827.db2.gz BQOPTWVTRPUSTL-RYUDHWBXSA-N 3 0 227.396 1.434 20 0 BDADRP CC[NH+](CC)CCCCNC(=O)[C@H]([NH3+])C(C)C ZINC000430716948 387643242 /nfs/dbraw/zinc/64/32/42/387643242.db2.gz ULFHXJBJFHPMPW-GFCCVEGCSA-N 2 0 243.395 1.208 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(CO)c1 ZINC000422736564 387643879 /nfs/dbraw/zinc/64/38/79/387643879.db2.gz GOFWVVQGWZIDGH-MNOVXSKESA-N 2 0 222.332 1.394 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000422736237 387644149 /nfs/dbraw/zinc/64/41/49/387644149.db2.gz FZZJUDFXOWLTGS-KKUMJFAQSA-N 2 0 248.370 1.307 20 0 BDADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)CCC[NH3+])C1 ZINC000422737099 387644897 /nfs/dbraw/zinc/64/48/97/387644897.db2.gz HLRDPLWHMAPJMI-UONOGXRCSA-N 3 0 241.423 1.824 20 0 BDADRP C[C@@]1(C[NH2+]C2CCC(C[NH3+])CC2)CCOC1 ZINC000422738440 387645094 /nfs/dbraw/zinc/64/50/94/387645094.db2.gz YSLYYRBVLKIOGQ-BPCQOVAHSA-N 2 0 226.364 1.520 20 0 BDADRP Cc1ncc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])s1 ZINC000422740506 387647276 /nfs/dbraw/zinc/64/72/76/387647276.db2.gz MWJXXPJDCALYRD-HTQZYQBOSA-N 2 0 213.350 1.667 20 0 BDADRP C[C@H](CN[C@H](C)[C@@H]1CCCC[NH2+]1)[NH+](C)C ZINC000422740382 387648400 /nfs/dbraw/zinc/64/84/00/387648400.db2.gz MPWSUOVKIHZFRU-UTUOFQBUSA-N 2 0 213.369 1.057 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)C1 ZINC000643518211 387649781 /nfs/dbraw/zinc/64/97/81/387649781.db2.gz DCLYHIUPUGWBGC-CHWSQXEVSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000422746142 387650451 /nfs/dbraw/zinc/65/04/51/387650451.db2.gz VZYODZUUPXZBKQ-BZPMIXESSA-N 2 0 237.391 1.201 20 0 BDADRP [NH3+]CC1CCC([NH2+]Cc2cccc(CO)c2)CC1 ZINC000422746498 387650719 /nfs/dbraw/zinc/65/07/19/387650719.db2.gz WQYKROBLIVVTSP-UHFFFAOYSA-N 2 0 248.370 1.786 20 0 BDADRP CC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000430795688 387650899 /nfs/dbraw/zinc/65/08/99/387650899.db2.gz HKONPHPLPALHIG-TUAOUCFPSA-N 2 0 241.379 1.055 20 0 BDADRP C[C@@H](CCCCO)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000643518696 387652379 /nfs/dbraw/zinc/65/23/79/387652379.db2.gz LZNPGWZXVDIFCG-STQMWFEESA-N 2 0 228.380 1.517 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](C)c1ccccn1 ZINC000422748902 387653726 /nfs/dbraw/zinc/65/37/26/387653726.db2.gz WRKVDOKFYIYJKZ-HBNTYKKESA-N 2 0 207.321 1.858 20 0 BDADRP CSCCC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422749784 387655580 /nfs/dbraw/zinc/65/55/80/387655580.db2.gz AXHGXFSAOVTZDJ-MNOVXSKESA-N 2 0 216.394 1.717 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCCC[C@@H]1OC ZINC000422795696 387695545 /nfs/dbraw/zinc/69/55/45/387695545.db2.gz WERYAEGNGOPRDQ-AVGNSLFASA-N 2 0 244.379 1.288 20 0 BDADRP Cc1cc(C)n(CCC[NH2+][C@@H]2CCC[C@@H]2[NH3+])n1 ZINC000422752911 387659587 /nfs/dbraw/zinc/65/95/87/387659587.db2.gz HUWPAOVYAJCXDW-QWHCGFSZSA-N 2 0 236.363 1.359 20 0 BDADRP C[C@@H]([NH2+]CCOC1CCCC1)C1C[NH2+]C1 ZINC000422759373 387660551 /nfs/dbraw/zinc/66/05/51/387660551.db2.gz JWAHZGVXGSOIRA-SNVBAGLBSA-N 2 0 212.337 1.143 20 0 BDADRP CSCCC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422757838 387660694 /nfs/dbraw/zinc/66/06/94/387660694.db2.gz NAEGPGOQEGBXJS-WDEREUQCSA-N 2 0 216.394 1.989 20 0 BDADRP C[NH+](C)[C@H](CN[C@@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000422757862 387661929 /nfs/dbraw/zinc/66/19/29/387661929.db2.gz NDSKSBRZGBLAMX-RBSFLKMASA-N 2 0 247.386 1.759 20 0 BDADRP CSC[C@H](C)[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422764154 387665322 /nfs/dbraw/zinc/66/53/22/387665322.db2.gz URLJKORSICJFGJ-GARJFASQSA-N 2 0 216.394 1.716 20 0 BDADRP C[C@@H]([NH2+]CCCNc1ccccc1)C1C[NH2+]C1 ZINC000422763675 387665924 /nfs/dbraw/zinc/66/59/24/387665924.db2.gz UITWXELRXPFETL-GFCCVEGCSA-N 2 0 233.359 1.686 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCOC1CCCC1 ZINC000422766511 387667915 /nfs/dbraw/zinc/66/79/15/387667915.db2.gz QEMYJKZVBHXPLE-GXTWGEPZSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1cn[nH]c1 ZINC000305952320 387668298 /nfs/dbraw/zinc/66/82/98/387668298.db2.gz NFKXYUFEGZVZPR-LLVKDONJSA-N 2 0 236.363 1.792 20 0 BDADRP FC(F)COCC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431038630 387673708 /nfs/dbraw/zinc/67/37/08/387673708.db2.gz TZYMLVMPEMFDIU-UHFFFAOYSA-N 2 0 248.317 1.344 20 0 BDADRP CC(C)[C@H](O)CC[NH2+]C1CCC([NH3+])CC1 ZINC000422776597 387674830 /nfs/dbraw/zinc/67/48/30/387674830.db2.gz DCXOGORQHYHAJH-HTAVTVPLSA-N 2 0 214.353 1.253 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1NCCC[NH+]1CCCCC1 ZINC000422777300 387675572 /nfs/dbraw/zinc/67/55/72/387675572.db2.gz CAVPGTJLZSTKGL-STQMWFEESA-N 2 0 225.380 1.332 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000422778063 387676076 /nfs/dbraw/zinc/67/60/76/387676076.db2.gz HBJUXSHLKPYTOV-OLZOCXBDSA-N 3 0 227.396 1.306 20 0 BDADRP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]C1)[C@@H]1CCOC1 ZINC000422779134 387677429 /nfs/dbraw/zinc/67/74/29/387677429.db2.gz BNARPHNPRRZJLX-RQJABVFESA-N 2 0 240.391 1.779 20 0 BDADRP CC[C@@H](NCCC[NH+]1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422781397 387680573 /nfs/dbraw/zinc/68/05/73/387680573.db2.gz IUPNVWVZFBSMDH-KGLIPLIRSA-N 2 0 239.407 1.593 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000422781061 387681736 /nfs/dbraw/zinc/68/17/36/387681736.db2.gz KDEIHARKUHFWGZ-FIQHERPVSA-N 2 0 214.353 1.253 20 0 BDADRP C[C@@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)C[C@H](C)O ZINC000422783810 387684121 /nfs/dbraw/zinc/68/41/21/387684121.db2.gz NGNURYYVFSOICH-XQHKEYJVSA-N 2 0 228.380 1.514 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2CCCCC[C@@H]2[NH3+])CC[N@@H+]1C ZINC000422784074 387684383 /nfs/dbraw/zinc/68/43/83/387684383.db2.gz PFYHGSQHOQRGNX-MQYQWHSLSA-N 2 0 239.407 1.719 20 0 BDADRP CC(C)[C@H](O)CC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000422785004 387684746 /nfs/dbraw/zinc/68/47/46/387684746.db2.gz QLOWDFNWVOZHLU-IJLUTSLNSA-N 2 0 214.353 1.110 20 0 BDADRP C[NH+](C)C1(CN[C@H]2CCC[C@@H]2[NH3+])CCCC1 ZINC000422786438 387685901 /nfs/dbraw/zinc/68/59/01/387685901.db2.gz ORQDCXIKGGNQAZ-RYUDHWBXSA-N 2 0 225.380 1.330 20 0 BDADRP Cc1n[nH]c(C)c1C[NH2+]CC1CC[NH+](C)CC1 ZINC000044516379 387686527 /nfs/dbraw/zinc/68/65/27/387686527.db2.gz ZUCXHARROBMYSY-UHFFFAOYSA-N 2 0 236.363 1.458 20 0 BDADRP CC[C@H]([NH2+]CC[C@@H](O)C(C)C)[C@H]1CCCC[NH2+]1 ZINC000422788091 387686541 /nfs/dbraw/zinc/68/65/41/387686541.db2.gz VEGRLVWINKUBJK-BFHYXJOUSA-N 2 0 242.407 1.904 20 0 BDADRP CC(C)[C@H](O)CC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422786540 387688026 /nfs/dbraw/zinc/68/80/26/387688026.db2.gz SLPYIKXSBUPSMH-WXRRBKDZSA-N 2 0 228.380 1.501 20 0 BDADRP CC(C)[N@@H+]1CCC[C@@H](CN[C@H](C)C[C@H](C)[NH3+])C1 ZINC000422743799 387689085 /nfs/dbraw/zinc/68/90/85/387689085.db2.gz RWTOWDRIBUDBGW-MJBXVCDLSA-N 2 0 241.423 1.822 20 0 BDADRP CC1(C)[C@H]([NH2+]C2CC[NH2+]CC2)[C@H]2CCCO[C@@H]21 ZINC000422788466 387689661 /nfs/dbraw/zinc/68/96/61/387689661.db2.gz VLKTTZFLJNLFTO-UPJWGTAASA-N 2 0 238.375 1.532 20 0 BDADRP C[C@@H](N[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCCC[NH2+]1 ZINC000422743781 387691075 /nfs/dbraw/zinc/69/10/75/387691075.db2.gz RVJYPWFCLFLZBD-MBNYWOFBSA-N 2 0 237.391 1.343 20 0 BDADRP CC[C@@H]([NH2+]CC[C@@H](O)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000422792058 387691868 /nfs/dbraw/zinc/69/18/68/387691868.db2.gz ZAIGAGSJOCIQBV-FRRDWIJNSA-N 2 0 228.380 1.514 20 0 BDADRP CCOC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000044690635 387692393 /nfs/dbraw/zinc/69/23/93/387692393.db2.gz INOFYHHNEKSBIL-WODVXLOZSA-N 2 0 226.364 1.626 20 0 BDADRP C[NH+](C)C[C@H]1CN(CC2CCC2)CCO1 ZINC000441307982 387742914 /nfs/dbraw/zinc/74/29/14/387742914.db2.gz WXILOSCSZFTQJY-LBPRGKRZSA-N 2 0 212.337 1.049 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422871630 387748371 /nfs/dbraw/zinc/74/83/71/387748371.db2.gz ZGFFYNXRPKUBTP-UPJWGTAASA-N 2 0 228.380 1.515 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000422868276 387749421 /nfs/dbraw/zinc/74/94/21/387749421.db2.gz UTCMOWBVFJMMON-FRRDWIJNSA-N 2 0 227.396 1.434 20 0 BDADRP CC(C)N(C)CC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422875108 387753245 /nfs/dbraw/zinc/75/32/45/387753245.db2.gz BWSHCGORDCWIHL-UHFFFAOYSA-N 2 0 227.396 1.434 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCCS1)[C@@H]1CCC[NH2+]1 ZINC000422874964 387753385 /nfs/dbraw/zinc/75/33/85/387753385.db2.gz OIEKDRBIQFEPNX-MXWKQRLJSA-N 2 0 214.378 1.612 20 0 BDADRP CC(C)[N@H+](C)CCN[C@H](C)c1c[nH+]ccc1N ZINC000422875069 387753579 /nfs/dbraw/zinc/75/35/79/387753579.db2.gz BNOULMWJULAZBG-LLVKDONJSA-N 2 0 236.363 1.485 20 0 BDADRP CCC[C@@H](NC[C@@H](C)[NH3+])c1ccccn1 ZINC000643527792 387754267 /nfs/dbraw/zinc/75/42/67/387754267.db2.gz STWFVVNTSMIZGH-GHMZBOCLSA-N 2 0 207.321 1.860 20 0 BDADRP CO[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422796276 387700090 /nfs/dbraw/zinc/70/00/90/387700090.db2.gz YBEIFGLXSUAMHU-ADEWGFFLSA-N 2 0 212.337 1.142 20 0 BDADRP CC(C)C[C@H](CCO)C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422801275 387702587 /nfs/dbraw/zinc/70/25/87/387702587.db2.gz BQXGENIKQNMMDL-YNEHKIRRSA-N 2 0 228.380 1.501 20 0 BDADRP CCC(CC)(CCO)C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000422806578 387705598 /nfs/dbraw/zinc/70/55/98/387705598.db2.gz IHKJZFYWSPESPV-CHWSQXEVSA-N 2 0 242.407 1.892 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCCn1cccn1 ZINC000422811538 387708114 /nfs/dbraw/zinc/70/81/14/387708114.db2.gz PCWYHJRGOJUBKW-CHWSQXEVSA-N 2 0 236.363 1.523 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCn1cccn1 ZINC000422811569 387710451 /nfs/dbraw/zinc/71/04/51/387710451.db2.gz PEUKPKYPUDRXNQ-STQMWFEESA-N 2 0 236.363 1.251 20 0 BDADRP CC[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)C1CCOCC1 ZINC000422816314 387714323 /nfs/dbraw/zinc/71/43/23/387714323.db2.gz ZLQZQZPMFRMQSN-YUTCNCBUSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]([NH2+]CCN(C)c1ccccc1)C1C[NH2+]C1 ZINC000422814834 387714929 /nfs/dbraw/zinc/71/49/29/387714929.db2.gz WFHHCINLARTJLI-GFCCVEGCSA-N 2 0 233.359 1.320 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1NCC[NH+]1CCCCC1 ZINC000422814783 387715479 /nfs/dbraw/zinc/71/54/79/387715479.db2.gz WBMPQYICCJVQIP-UONOGXRCSA-N 2 0 239.407 1.722 20 0 BDADRP C([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C12CC(C1)CO2 ZINC000527790426 387715544 /nfs/dbraw/zinc/71/55/44/387715544.db2.gz OGEZLYQZONGGLN-CEUNDQEZSA-N 2 0 236.359 1.382 20 0 BDADRP Cc1nc(CC[NH2+][C@H](C)C[C@@H](C)[NH3+])cs1 ZINC000422821907 387716771 /nfs/dbraw/zinc/71/67/71/387716771.db2.gz ZEQWAXABDCBPON-RKDXNWHRSA-N 2 0 227.377 1.709 20 0 BDADRP CC(C)C[NH+]1CCC(N[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000422821457 387717440 /nfs/dbraw/zinc/71/74/40/387717440.db2.gz WHJOTWRHLTZULO-ZIAGYGMSSA-N 2 0 239.407 1.576 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCc1cn2ccccc2n1 ZINC000422820448 387717488 /nfs/dbraw/zinc/71/74/88/387717488.db2.gz QPZBZAAGISSCET-VXGBXAGGSA-N 2 0 246.358 1.592 20 0 BDADRP CC(C)C[NH+]1CCC(NC2CC[NH2+]CC2)CC1 ZINC000422820694 387718757 /nfs/dbraw/zinc/71/87/57/387718757.db2.gz RWXVQLLVMBDHEP-UHFFFAOYSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H]([NH2+]C[C@@]1(C)CCCC[C@@H]1O)[C@H]1CCC[NH2+]1 ZINC000422826356 387720664 /nfs/dbraw/zinc/72/06/64/387720664.db2.gz QVOCRZRFVRNYCS-RFQIPJPRSA-N 2 0 240.391 1.658 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCOCc1ccccc1 ZINC000422825001 387720822 /nfs/dbraw/zinc/72/08/22/387720822.db2.gz OVRAXVUOGNXEFO-STQMWFEESA-N 2 0 236.359 1.919 20 0 BDADRP CCC[N@H+](CC)CCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422828116 387723761 /nfs/dbraw/zinc/72/37/61/387723761.db2.gz SVVDCGCXIUNUDV-UONOGXRCSA-N 2 0 241.423 1.968 20 0 BDADRP COCCCCC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422830681 387724055 /nfs/dbraw/zinc/72/40/55/387724055.db2.gz WCHOXZZGJQUXGD-STQMWFEESA-N 2 0 228.380 1.781 20 0 BDADRP C[C@@H](C[NH2+][C@@H](C)C1(C)CC1)N1CC[NH+](C)CC1 ZINC000127704623 387726053 /nfs/dbraw/zinc/72/60/53/387726053.db2.gz VKUQZGYREDZXKX-STQMWFEESA-N 2 0 239.407 1.401 20 0 BDADRP C[C@H](Cc1ccncc1)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422832819 387726149 /nfs/dbraw/zinc/72/61/49/387726149.db2.gz GDSSAGYDJFEBHU-SDDRHHMPSA-N 2 0 221.348 1.728 20 0 BDADRP Cc1c([C@H](C)[NH2+][C@@H](C)C[C@H](C)[NH3+])cnn1C ZINC000422837906 387729398 /nfs/dbraw/zinc/72/93/98/387729398.db2.gz VRYPIAROHYQKHR-GUBZILKMSA-N 2 0 224.352 1.505 20 0 BDADRP C[C@H](N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@H]1CCC[NH2+]1 ZINC000422841182 387732558 /nfs/dbraw/zinc/73/25/58/387732558.db2.gz VKHMEIBIUJSVBG-REWJHTLYSA-N 2 0 239.407 1.589 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])C1(C)C ZINC000422850835 387735495 /nfs/dbraw/zinc/73/54/95/387735495.db2.gz OFDPRBHWTTVWKQ-VPOLOUISSA-N 2 0 214.353 1.515 20 0 BDADRP CC(C)[N@H+](C)CCN[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000128029621 387735650 /nfs/dbraw/zinc/73/56/50/387735650.db2.gz HHZSKLWNHDFVEZ-UONOGXRCSA-N 2 0 239.407 1.543 20 0 BDADRP Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000643524158 387737251 /nfs/dbraw/zinc/73/72/51/387737251.db2.gz RKBISGDMKYNEKU-JMJZKYOTSA-N 2 0 222.336 1.639 20 0 BDADRP Cc1cccc(CC[NH2+][C@@H](C)C2C[NH2+]C2)c1 ZINC000422852985 387738126 /nfs/dbraw/zinc/73/81/26/387738126.db2.gz YMYYUAZDRAKLPV-LBPRGKRZSA-N 2 0 218.344 1.735 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2CCC[NH2+]CC2)C[N@@H+]1C1CC1 ZINC000422851725 387738412 /nfs/dbraw/zinc/73/84/12/387738412.db2.gz FVBVFBWYTGCGIB-UPJWGTAASA-N 2 0 237.391 1.343 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000643524232 387738997 /nfs/dbraw/zinc/73/89/97/387738997.db2.gz XBFLSVBUTRCPKP-QNWHQSFQSA-N 2 0 226.364 1.804 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCN1CCCC[C@@H]1C ZINC000422857086 387739721 /nfs/dbraw/zinc/73/97/21/387739721.db2.gz GVFCEFSHFAXTIB-KGLIPLIRSA-N 2 0 241.423 1.968 20 0 BDADRP COCC[C@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422858857 387741052 /nfs/dbraw/zinc/74/10/52/387741052.db2.gz JAMSITYJXIKXCO-UNXYVOJBSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccnc1N(C)C ZINC000422859069 387741700 /nfs/dbraw/zinc/74/17/00/387741700.db2.gz JPAKVDVUSRFTBN-QWRGUYRKSA-N 2 0 236.363 1.363 20 0 BDADRP C[C@H](C[C@H]1CCCO1)[NH2+]C1CCC([NH3+])CC1 ZINC000422899228 387762960 /nfs/dbraw/zinc/76/29/60/387762960.db2.gz HDAASZXDNIZTIH-IKWCTNDRSA-N 2 0 226.364 1.804 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)C1CCOCC1 ZINC000422892043 387763592 /nfs/dbraw/zinc/76/35/92/387763592.db2.gz LWASCNCEWQBUGW-NTZNESFSSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422898011 387765703 /nfs/dbraw/zinc/76/57/03/387765703.db2.gz DGWCMBYSWKVCGX-YIYPIFLZSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000643527639 387768170 /nfs/dbraw/zinc/76/81/70/387768170.db2.gz PWOLDJNUGDKCFX-UMSGYPCISA-N 2 0 226.364 1.519 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CN[C@H](C)C[C@H](C)[NH3+] ZINC000422910282 387768843 /nfs/dbraw/zinc/76/88/43/387768843.db2.gz QDIWCILGBBICFQ-YNEHKIRRSA-N 2 0 227.396 1.576 20 0 BDADRP C[C@@H]([NH2+]CCCc1cnn(C)c1)[C@H]1CCC[NH2+]1 ZINC000422911490 387772123 /nfs/dbraw/zinc/77/21/23/387772123.db2.gz TVTJZVAIOXEQAW-DGCLKSJQSA-N 2 0 236.363 1.083 20 0 BDADRP C[C@@H]([NH3+])C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000643528757 387772430 /nfs/dbraw/zinc/77/24/30/387772430.db2.gz OEPAFBNNLBYINE-GFCCVEGCSA-N 2 0 233.359 1.592 20 0 BDADRP C[C@H]([NH3+])CN[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000643528922 387773422 /nfs/dbraw/zinc/77/34/22/387773422.db2.gz QVJVRDCYEFOLPG-KCQAQPDRSA-N 2 0 247.386 1.444 20 0 BDADRP C[C@H]([NH3+])C[NH2+][C@@H](C)CCCc1cccnc1 ZINC000643529718 387777514 /nfs/dbraw/zinc/77/75/14/387777514.db2.gz QIBALCDLDYVPFS-RYUDHWBXSA-N 2 0 221.348 1.730 20 0 BDADRP CC[C@@H](O)CCC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422923814 387778001 /nfs/dbraw/zinc/77/80/01/387778001.db2.gz SPHQPHVFBSXHKP-XQQFMLRXSA-N 2 0 228.380 1.658 20 0 BDADRP Cc1cccc(NCC[NH2+][C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000422923077 387778383 /nfs/dbraw/zinc/77/83/83/387778383.db2.gz VCTQIACFEKLIQI-OLZOCXBDSA-N 2 0 248.374 1.519 20 0 BDADRP Cc1cccc(NCC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000422923076 387778478 /nfs/dbraw/zinc/77/84/78/387778478.db2.gz VCTQIACFEKLIQI-CHWSQXEVSA-N 2 0 248.374 1.519 20 0 BDADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCC(C)(C)C ZINC000422925925 387779250 /nfs/dbraw/zinc/77/92/50/387779250.db2.gz BWUJKIULOOOYEQ-TUAOUCFPSA-N 2 0 228.380 1.765 20 0 BDADRP CN(C)C(=O)CCC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422931434 387781294 /nfs/dbraw/zinc/78/12/94/387781294.db2.gz BRTKOBKKBWFLCF-NWDGAFQWSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@@H]([NH2+]CCOc1ccc(F)cc1)C1C[NH2+]C1 ZINC000422934135 387783013 /nfs/dbraw/zinc/78/30/13/387783013.db2.gz FKCQNAGIYWJPCK-SNVBAGLBSA-N 2 0 238.306 1.402 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)C[C@@H]1CCCO1 ZINC000422899983 387784730 /nfs/dbraw/zinc/78/47/30/387784730.db2.gz IPPXQPKUJRDLEG-WOPDTQHZSA-N 2 0 214.353 1.661 20 0 BDADRP OC1CC(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000432408933 387787035 /nfs/dbraw/zinc/78/70/35/387787035.db2.gz DJDBOEGSUPEKGV-DKNRTOFZSA-N 2 0 238.375 1.364 20 0 BDADRP CCc1nc(CC[NH2+][C@H]2CCC[C@@H]2[NH3+])cs1 ZINC000422903375 387787708 /nfs/dbraw/zinc/78/77/08/387787708.db2.gz OLFMJCTYXSERLQ-QWRGUYRKSA-N 2 0 239.388 1.717 20 0 BDADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CCC[NH3+])C1 ZINC000422977313 387789094 /nfs/dbraw/zinc/78/90/94/387789094.db2.gz WQFYUERHUQCIQZ-STQMWFEESA-N 3 0 227.396 1.435 20 0 BDADRP CC[C@H](CCO)[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422981456 387790843 /nfs/dbraw/zinc/79/08/43/387790843.db2.gz SWQAMIMXFKHZBL-UTUOFQBUSA-N 2 0 214.353 1.268 20 0 BDADRP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000422982241 387794156 /nfs/dbraw/zinc/79/41/56/387794156.db2.gz WHXOGHJOLULUJC-MCIONIFRSA-N 2 0 242.407 1.891 20 0 BDADRP Oc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422985272 387795046 /nfs/dbraw/zinc/79/50/46/387795046.db2.gz CXEZQJUYLUORFT-PBWFPOADSA-N 2 0 246.354 1.807 20 0 BDADRP CC(C)[C@H]1C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])CCO1 ZINC000422985364 387796337 /nfs/dbraw/zinc/79/63/37/387796337.db2.gz DKEQRJVCSDOLES-ZDEQEGDKSA-N 2 0 228.380 1.905 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000422985953 387796749 /nfs/dbraw/zinc/79/67/49/387796749.db2.gz GCFSCJNFPGYABX-ZWNOBZJWSA-N 2 0 240.322 1.576 20 0 BDADRP CC(C)(C)C[C@@H](CO)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422996504 387803270 /nfs/dbraw/zinc/80/32/70/387803270.db2.gz MJELAHOBGBDUFD-BPCQOVAHSA-N 2 0 242.407 1.891 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CC1(CCO)CCC1 ZINC000422995508 387803347 /nfs/dbraw/zinc/80/33/47/387803347.db2.gz YETPUTUIHFLPRO-QWHCGFSZSA-N 2 0 240.391 1.789 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCCc1ccccn1 ZINC000423000040 387804317 /nfs/dbraw/zinc/80/43/17/387804317.db2.gz ULKDPPQFERMXHI-VXGBXAGGSA-N 2 0 221.348 1.730 20 0 BDADRP CCC[C@H](CCO)C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000423001210 387804651 /nfs/dbraw/zinc/80/46/51/387804651.db2.gz DFBIMXZPCZHSHJ-WOPDTQHZSA-N 2 0 214.353 1.255 20 0 BDADRP CCOCCC1(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000422999020 387805127 /nfs/dbraw/zinc/80/51/27/387805127.db2.gz DLTGEXYOBNWBJB-QWHCGFSZSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]([NH2+]C[C@@H](C)CCO)[C@@H]1CCCC[NH2+]1 ZINC000423001187 387805610 /nfs/dbraw/zinc/80/56/10/387805610.db2.gz DDWRETFWZNALNQ-TUAOUCFPSA-N 2 0 214.353 1.125 20 0 BDADRP COc1cccc(C[C@H](C)[NH2+][C@H](C)C2C[NH2+]C2)c1 ZINC000422952228 387806771 /nfs/dbraw/zinc/80/67/71/387806771.db2.gz AMKXEKHINKBETA-NWDGAFQWSA-N 2 0 248.370 1.824 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCNc1ccccn1 ZINC000423001946 387806993 /nfs/dbraw/zinc/80/69/93/387806993.db2.gz FJARAAIDSJSRCF-QWHCGFSZSA-N 2 0 248.374 1.601 20 0 BDADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1(C)CCCC1 ZINC000422951890 387807220 /nfs/dbraw/zinc/80/72/20/387807220.db2.gz AQOQOUBPVPMZGV-XQQFMLRXSA-N 2 0 240.391 1.909 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000442603005 387807409 /nfs/dbraw/zinc/80/74/09/387807409.db2.gz JOYDQIZOSOJPLL-RYUDHWBXSA-N 2 0 241.379 1.091 20 0 BDADRP Cc1ccccc1OCC[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422949131 387807359 /nfs/dbraw/zinc/80/73/59/387807359.db2.gz SXEAOARCCSPUHE-CHWSQXEVSA-N 2 0 234.343 1.843 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000442604250 387807512 /nfs/dbraw/zinc/80/75/12/387807512.db2.gz XKYPZUMCSWWSBS-YPMHNXCESA-N 2 0 241.379 1.091 20 0 BDADRP CSC1(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000193815637 387809216 /nfs/dbraw/zinc/80/92/16/387809216.db2.gz LYYBHGTXPHINNL-MNOVXSKESA-N 2 0 228.405 1.954 20 0 BDADRP CN(Cc1cccc(O)c1)CC(C)(C)[NH3+] ZINC000309499058 387809462 /nfs/dbraw/zinc/80/94/62/387809462.db2.gz UMRZVQQKRZGRAF-UHFFFAOYSA-N 2 0 208.305 1.561 20 0 BDADRP CC[C@H](CN[C@@H]1CCC[C@H]1[NH3+])[NH+]1CCCC1 ZINC000422965263 387813525 /nfs/dbraw/zinc/81/35/25/387813525.db2.gz OFIZJJDCORFBGH-JHJVBQTASA-N 2 0 225.380 1.330 20 0 BDADRP CCN(CC[NH2+][C@@H](C)CCC[NH3+])C(C)C ZINC000422885911 387759327 /nfs/dbraw/zinc/75/93/27/387759327.db2.gz ZLBPVJFTLLJMNT-LBPRGKRZSA-N 2 0 215.385 1.434 20 0 BDADRP CC[C@@](C)(O)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422972687 387821443 /nfs/dbraw/zinc/82/14/43/387821443.db2.gz AHJRHHLFFIRHQA-HTAVTVPLSA-N 2 0 214.353 1.255 20 0 BDADRP CC(C)[C@@](C)(O)C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422974567 387822876 /nfs/dbraw/zinc/82/28/76/387822876.db2.gz FJPQQSRCVKVCGJ-AGIUHOORSA-N 2 0 228.380 1.371 20 0 BDADRP CCC(O)(CC)C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422973657 387823473 /nfs/dbraw/zinc/82/34/73/387823473.db2.gz PFAWALWHMUAVDR-UWVGGRQHSA-N 2 0 200.326 1.007 20 0 BDADRP CCOC1CC(CC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000423071781 387872925 /nfs/dbraw/zinc/87/29/25/387872925.db2.gz OVHWMRNRFDCEOV-ABXWRUBCSA-N 2 0 240.391 1.922 20 0 BDADRP CS[C@H](CO)[C@H](C)[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422975462 387824677 /nfs/dbraw/zinc/82/46/77/387824677.db2.gz GUPLPVVXPSDNHT-FIQHERPVSA-N 2 0 246.420 1.077 20 0 BDADRP CCOCCC1(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000423004022 387827300 /nfs/dbraw/zinc/82/73/00/387827300.db2.gz OCCVVRQQHRAEDR-OLZOCXBDSA-N 2 0 240.391 1.910 20 0 BDADRP COC[C@H]([NH2+][C@H](C)CCC[NH3+])c1ccc(C)o1 ZINC000423005888 387828115 /nfs/dbraw/zinc/82/81/15/387828115.db2.gz NLXKHBJQFBZIOP-PWSUYJOCSA-N 2 0 240.347 1.993 20 0 BDADRP COc1cccc(CC[NH2+][C@H]2CCC[NH2+]CC2)n1 ZINC000423007364 387828187 /nfs/dbraw/zinc/82/81/87/387828187.db2.gz QMABSSKSQGJHPR-LBPRGKRZSA-N 2 0 249.358 1.364 20 0 BDADRP COC[C@@H]([NH2+][C@H](C)CCC[NH3+])c1ccc(C)o1 ZINC000423005889 387829059 /nfs/dbraw/zinc/82/90/59/387829059.db2.gz NLXKHBJQFBZIOP-ZYHUDNBSSA-N 2 0 240.347 1.993 20 0 BDADRP CC(C)CSCC[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000423009105 387831431 /nfs/dbraw/zinc/83/14/31/387831431.db2.gz CEUZBCLYSTXSCN-MNOVXSKESA-N 2 0 216.394 1.845 20 0 BDADRP Cc1cnccc1CC[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423009338 387831808 /nfs/dbraw/zinc/83/18/08/387831808.db2.gz CSOYRVVJFJFOFA-VXGBXAGGSA-N 2 0 221.348 1.648 20 0 BDADRP CC[NH2+]CCNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000151381340 387833095 /nfs/dbraw/zinc/83/30/95/387833095.db2.gz HFAJQVSQUWEGLT-NEPJUHHUSA-N 2 0 241.379 1.010 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCNc1ccccn1 ZINC000423009636 387833331 /nfs/dbraw/zinc/83/33/31/387833331.db2.gz WBYIAJVCMMKAHR-VXGBXAGGSA-N 2 0 234.347 1.211 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1ccncc1 ZINC000423010790 387833409 /nfs/dbraw/zinc/83/34/09/387833409.db2.gz YIQCIHYQFBEVQM-JSGCOSHPSA-N 2 0 233.359 1.602 20 0 BDADRP CC(C)CSCC[NH2+][C@H](C)C1C[NH2+]C1 ZINC000423010054 387833493 /nfs/dbraw/zinc/83/34/93/387833493.db2.gz FRQZYVHOYCZTGK-SNVBAGLBSA-N 2 0 216.394 1.573 20 0 BDADRP CC[C@H](CSC)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000423013986 387835403 /nfs/dbraw/zinc/83/54/03/387835403.db2.gz HFQOCWSJQQWTSF-PSASIEDQSA-N 2 0 202.367 1.326 20 0 BDADRP Cc1cnccc1CC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423012553 387836155 /nfs/dbraw/zinc/83/61/55/387836155.db2.gz KWNLIQCRHOQURD-SWLSCSKDSA-N 2 0 247.386 1.910 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC1(CO)CC1 ZINC000643459330 387836428 /nfs/dbraw/zinc/83/64/28/387836428.db2.gz NZNXRPVDMCFLQH-GHMZBOCLSA-N 2 0 212.337 1.009 20 0 BDADRP CC[C@@H]([NH2+]CCC[C@H](C)CO)[C@@H]1CCC[NH2+]1 ZINC000423012796 387836929 /nfs/dbraw/zinc/83/69/29/387836929.db2.gz LKZZENXQXZXWFH-XQQFMLRXSA-N 2 0 228.380 1.515 20 0 BDADRP CC[C@@H](NCC1=CC[N@H+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000423019113 387841193 /nfs/dbraw/zinc/84/11/93/387841193.db2.gz UAKWZUZJHYCFJJ-KGLIPLIRSA-N 2 0 237.391 1.369 20 0 BDADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)C1(C)C ZINC000423019086 387841248 /nfs/dbraw/zinc/84/12/48/387841248.db2.gz TYFCTHFSRNWPCR-KSSYENDESA-N 2 0 240.391 1.776 20 0 BDADRP COC[C@@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423016589 387841843 /nfs/dbraw/zinc/84/18/43/387841843.db2.gz NABJHIUYIRFRDX-KPPDAEKUSA-N 2 0 200.326 1.128 20 0 BDADRP CCC(CC)(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])C(=O)OC ZINC000423030317 387845727 /nfs/dbraw/zinc/84/57/27/387845727.db2.gz BETLKNBVXCPYOP-MNOVXSKESA-N 2 0 244.379 1.681 20 0 BDADRP CC[C@@H](Cc1cccs1)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000643533403 387846677 /nfs/dbraw/zinc/84/66/77/387846677.db2.gz RCRQBCHSOYWCMQ-FTYKPCCVSA-N 2 0 236.384 1.877 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCN(C)[C@@H]1C)[C@@H]1CC[NH2+]C1 ZINC000423032427 387848694 /nfs/dbraw/zinc/84/86/94/387848694.db2.gz MSKFOGCTURNMKS-UMSGYPCISA-N 2 0 225.380 1.057 20 0 BDADRP CCC(O)(CC)CC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000423073361 387873907 /nfs/dbraw/zinc/87/39/07/387873907.db2.gz RDWSTJCJWQXVMQ-STQMWFEESA-N 2 0 242.407 1.905 20 0 BDADRP CC1=CCN(CC[NH2+][C@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000423032179 387849500 /nfs/dbraw/zinc/84/95/00/387849500.db2.gz DZXWABZCQJUVST-KGLIPLIRSA-N 2 0 237.391 1.226 20 0 BDADRP C[NH+](C)CC1(CN[C@@H]2CCC[C@@H]2[NH3+])CCCC1 ZINC000423035459 387850611 /nfs/dbraw/zinc/85/06/11/387850611.db2.gz JNJDQIJOKYENEL-QWHCGFSZSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CCOC1)[C@@H]1CCC[NH2+]1 ZINC000423036297 387850630 /nfs/dbraw/zinc/85/06/30/387850630.db2.gz TUDWYYXZFVCVKT-WOPDTQHZSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000423037437 387851082 /nfs/dbraw/zinc/85/10/82/387851082.db2.gz BQWGHCUFXTXQEW-VXGBXAGGSA-N 3 0 227.396 1.434 20 0 BDADRP C[C@H](C[NH2+][C@H]1CCC[NH2+]CC1)c1ccncc1 ZINC000643460221 387874171 /nfs/dbraw/zinc/87/41/71/387874171.db2.gz CLRAPLOSYCZCHK-OCCSQVGLSA-N 2 0 233.359 1.917 20 0 BDADRP CC1=CCN(CC[NH2+][C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000423039273 387853654 /nfs/dbraw/zinc/85/36/54/387853654.db2.gz QAKLMLZJFXKBAP-CHWSQXEVSA-N 2 0 225.380 1.354 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCC[C@H]1CCCCO1 ZINC000423042066 387855216 /nfs/dbraw/zinc/85/52/16/387855216.db2.gz YLDFHCXURYIWRD-UPJWGTAASA-N 2 0 226.364 1.805 20 0 BDADRP CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)CCCC[NH3+] ZINC000423042097 387855477 /nfs/dbraw/zinc/85/54/77/387855477.db2.gz YOWHRVOECNXPGF-YNEHKIRRSA-N 2 0 244.379 1.288 20 0 BDADRP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)[C@H]1CCCOC1 ZINC000423042936 387855581 /nfs/dbraw/zinc/85/55/81/387855581.db2.gz MRHVPRYWTLEVHJ-AHPWVWPOSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCCO1 ZINC000423043942 387855763 /nfs/dbraw/zinc/85/57/63/387855763.db2.gz QEGSGEZCKZNPCH-YIPFDTCYSA-N 2 0 238.375 1.817 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](CCO)C(C)(C)C ZINC000423041156 387856149 /nfs/dbraw/zinc/85/61/49/387856149.db2.gz WGFMUNZZNLDVIH-AXFHLTTASA-N 2 0 216.369 1.499 20 0 BDADRP C[C@H](C[NH+]1CCCCCC1)NC1CC[NH2+]CC1 ZINC000423052489 387859555 /nfs/dbraw/zinc/85/95/55/387859555.db2.gz QBTSJLBCUPYFSX-CYBMUJFWSA-N 2 0 239.407 1.593 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])[C@H]1CCCCO1 ZINC000423051014 387860513 /nfs/dbraw/zinc/86/05/13/387860513.db2.gz ZLNKGRILUBWWAU-NNYUYHANSA-N 2 0 214.353 1.659 20 0 BDADRP CC(C)C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000423051461 387860842 /nfs/dbraw/zinc/86/08/42/387860842.db2.gz NJWHGJCFGRTCMQ-YUTCNCBUSA-N 2 0 240.391 1.778 20 0 BDADRP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)C(F)(F)F ZINC000423056109 387861795 /nfs/dbraw/zinc/86/17/95/387861795.db2.gz XCQUYNODEVGDER-XHNCKOQMSA-N 2 0 224.270 1.772 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)[C@H](C)O1 ZINC000643535367 387863148 /nfs/dbraw/zinc/86/31/48/387863148.db2.gz CSDJAZHAECUFMW-NOOOWODRSA-N 2 0 224.348 1.284 20 0 BDADRP Cc1ccccc1C[C@H](CO)[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000423059722 387864691 /nfs/dbraw/zinc/86/46/91/387864691.db2.gz MUVLMFNENZJKOA-ILXRZTDVSA-N 2 0 248.370 1.368 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCCC[C@@H]1O ZINC000423061419 387865393 /nfs/dbraw/zinc/86/53/93/387865393.db2.gz KTBFDPOZLOTSKL-NAKRPEOUSA-N 2 0 200.326 1.005 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643535903 387865477 /nfs/dbraw/zinc/86/54/77/387865477.db2.gz KVUGDAPPDVMNDP-YNEHKIRRSA-N 3 0 237.391 1.236 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@H]1CCO)[C@H]1CCCC[NH2+]1 ZINC000423060344 387865527 /nfs/dbraw/zinc/86/55/27/387865527.db2.gz HVOLBTJFLHMPTI-IGQOVBAYSA-N 2 0 240.391 1.658 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000423059218 387865625 /nfs/dbraw/zinc/86/56/25/387865625.db2.gz FIHJZLVYPXSGDJ-RQJABVFESA-N 2 0 240.391 1.645 20 0 BDADRP C[C@@H](N[C@H]1CC12CC[NH2+]CC2)[C@H]1CCCC[NH2+]1 ZINC000643535853 387865795 /nfs/dbraw/zinc/86/57/95/387865795.db2.gz JWDGDHCQNIULNB-UPJWGTAASA-N 2 0 237.391 1.249 20 0 BDADRP CC[C@@H](CO)[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423058259 387865901 /nfs/dbraw/zinc/86/59/01/387865901.db2.gz JBXBRAWXSMFJCA-XBFCOCLRSA-N 2 0 236.359 1.305 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643536421 387867719 /nfs/dbraw/zinc/86/77/19/387867719.db2.gz QSBOSGMPWDYXEK-AGIUHOORSA-N 3 0 237.391 1.378 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)C1 ZINC000643536433 387867840 /nfs/dbraw/zinc/86/78/40/387867840.db2.gz QUMFGXVTODFCPO-JHJVBQTASA-N 2 0 238.375 1.676 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CCC[C@H]1CCO ZINC000423066547 387869260 /nfs/dbraw/zinc/86/92/60/387869260.db2.gz XAJHJONNXFLHIG-RFGFWPKPSA-N 2 0 240.391 1.515 20 0 BDADRP CCC(O)(CC)CC[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000423065208 387869547 /nfs/dbraw/zinc/86/95/47/387869547.db2.gz BBPXBPYSDRJTRM-GHMZBOCLSA-N 2 0 214.353 1.397 20 0 BDADRP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000423067472 387870090 /nfs/dbraw/zinc/87/00/90/387870090.db2.gz HEPQVTBSUJDMAZ-UMSGYPCISA-N 2 0 226.364 1.804 20 0 BDADRP CO[C@@H]1CC[C@@H]([NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000423066006 387870701 /nfs/dbraw/zinc/87/07/01/387870701.db2.gz COVBNHSHWQUBHU-LPWJVIDDSA-N 2 0 226.364 1.674 20 0 BDADRP CO[C@@H]1CC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])C1 ZINC000423069037 387871983 /nfs/dbraw/zinc/87/19/83/387871983.db2.gz LIABQFNUOBZGQH-CHWFTXMASA-N 2 0 200.326 1.269 20 0 BDADRP C[C@@H](NC[C@@H]1CCCC[N@@H+]1C1CC1)C1C[NH2+]C1 ZINC000423069742 387872225 /nfs/dbraw/zinc/87/22/25/387872225.db2.gz BSKUBOJFAWAYJV-RISCZKNCSA-N 2 0 237.391 1.201 20 0 BDADRP CC[C@H](CN[C@H](C)C[C@H](C)[NH3+])[NH+]1CCCC1 ZINC000422964135 387814710 /nfs/dbraw/zinc/81/47/10/387814710.db2.gz KJNVMSAJIUWBHM-YNEHKIRRSA-N 2 0 227.396 1.576 20 0 BDADRP COc1ccc([C@@H](CO)N(C)C[C@H](C)[NH3+])cc1 ZINC000442665825 387814968 /nfs/dbraw/zinc/81/49/68/387814968.db2.gz QWDRQGIGEFHECZ-GXFFZTMASA-N 2 0 238.331 1.008 20 0 BDADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H](C)CO ZINC000422966453 387817307 /nfs/dbraw/zinc/81/73/07/387817307.db2.gz ACBVTKIODDVOTQ-SCRDCRAPSA-N 2 0 236.359 1.163 20 0 BDADRP COCCN(CCc1ccccc1)C[C@@H](C)[NH3+] ZINC000442667297 387818699 /nfs/dbraw/zinc/81/86/99/387818699.db2.gz ZBCUMTXULAXNFQ-CYBMUJFWSA-N 2 0 236.359 1.525 20 0 BDADRP FC(F)O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000423103471 387889800 /nfs/dbraw/zinc/88/98/00/387889800.db2.gz ARIKBGSYANTICY-GMTAPVOTSA-N 2 0 248.317 1.878 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCN1CC=CCC1 ZINC000423106247 387890970 /nfs/dbraw/zinc/89/09/70/387890970.db2.gz ZLHXKHAPJRRQPY-ZIAGYGMSSA-N 2 0 237.391 1.226 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCC(C)(C)O)CC[N@@H+]1C ZINC000158087036 387891247 /nfs/dbraw/zinc/89/12/47/387891247.db2.gz IFUVAVRBBOCCNA-WDEREUQCSA-N 2 0 214.353 1.220 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCOC[C@H]1C ZINC000423111878 387896706 /nfs/dbraw/zinc/89/67/06/387896706.db2.gz RCILQPKMXCFACO-JHJVBQTASA-N 2 0 228.380 1.766 20 0 BDADRP C[C@@H]([NH2+]C[C@@](C)(CO)c1ccccc1)C1C[NH2+]C1 ZINC000423114455 387897128 /nfs/dbraw/zinc/89/71/28/387897128.db2.gz VTSJDNPPNCIANO-DOMZBBRYSA-N 2 0 248.370 1.134 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1nccs1 ZINC000629529785 387875046 /nfs/dbraw/zinc/87/50/46/387875046.db2.gz MYSNANDFXXBBLQ-VIFPVBQESA-N 2 0 229.349 1.030 20 0 BDADRP CCOC1CC(CC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000423075552 387875262 /nfs/dbraw/zinc/87/52/62/387875262.db2.gz XINXIGMGFRDVIR-FKZOYECMSA-N 2 0 240.391 1.909 20 0 BDADRP COCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000423117868 387899025 /nfs/dbraw/zinc/89/90/25/387899025.db2.gz XQAGOKOXQQUJLP-FUNVUKJBSA-N 2 0 238.375 1.676 20 0 BDADRP C[C@@H]([NH2+]CCC1CC(O)C1)[C@@H]1CCCC[NH2+]1 ZINC000423075872 387876052 /nfs/dbraw/zinc/87/60/52/387876052.db2.gz POOVNXKZWNCKFK-XVSSEFHLSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCSC1)[C@@H]1CCC[NH2+]1 ZINC000423080748 387877352 /nfs/dbraw/zinc/87/73/52/387877352.db2.gz AIIOVTMWDGJVSH-MXWKQRLJSA-N 2 0 214.378 1.470 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000423088198 387881583 /nfs/dbraw/zinc/88/15/83/387881583.db2.gz RGFBSJLPYZZBCX-JHJVBQTASA-N 2 0 227.396 1.434 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000643540521 387882205 /nfs/dbraw/zinc/88/22/05/387882205.db2.gz NUSIBVMAEPOKFW-AXFHLTTASA-N 2 0 200.326 1.271 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]C[C@@H](CO)CC1CCCC1 ZINC000423093715 387885311 /nfs/dbraw/zinc/88/53/11/387885311.db2.gz AEJFMFGHJBAZPX-JSGCOSHPSA-N 2 0 242.407 1.892 20 0 BDADRP Cc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])n(C)n1 ZINC000423101155 387886529 /nfs/dbraw/zinc/88/65/29/387886529.db2.gz IEXFHFSOCOFFBC-DGCLKSJQSA-N 2 0 236.363 1.336 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423099028 387886858 /nfs/dbraw/zinc/88/68/58/387886858.db2.gz ABHOXLUJXYFAHI-RWMBFGLXSA-N 2 0 228.380 1.229 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423116070 387898765 /nfs/dbraw/zinc/89/87/65/387898765.db2.gz ZKBFSTWKUFASRD-RFGFWPKPSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@H]([NH2+]CC1C(C)(C)C1(C)C)C1C[NH2+]C1 ZINC000423098553 387887669 /nfs/dbraw/zinc/88/76/69/387887669.db2.gz SEUKIXDDQVBSHS-VIFPVBQESA-N 2 0 210.365 1.866 20 0 BDADRP CCC[N@@H+]1CCC[C@H]1CN[C@H]1CCC[C@H]1C[NH3+] ZINC000423104218 387889173 /nfs/dbraw/zinc/88/91/73/387889173.db2.gz GWGVPDXYXLOEDS-IHRRRGAJSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CSC[C@H]1C ZINC000423115969 387899317 /nfs/dbraw/zinc/89/93/17/387899317.db2.gz ZHBDJRLKFDUFQD-KATARQTJSA-N 2 0 202.367 1.453 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+][C@H]1CCCOC1 ZINC000423118902 387900212 /nfs/dbraw/zinc/90/02/12/387900212.db2.gz CODPDARBERRPKO-SRVKXCTJSA-N 2 0 212.337 1.415 20 0 BDADRP COCC(C)(C)C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000423123875 387902835 /nfs/dbraw/zinc/90/28/35/387902835.db2.gz FJMVBDSFKNJEFZ-RYUDHWBXSA-N 2 0 228.380 1.909 20 0 BDADRP COCC(C)(C)C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000423123832 387903215 /nfs/dbraw/zinc/90/32/15/387903215.db2.gz FIGBBCICXFGZPD-RYUDHWBXSA-N 2 0 228.380 1.637 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCC1(F)CCC1 ZINC000423127303 387904658 /nfs/dbraw/zinc/90/46/58/387904658.db2.gz PFPGKQRXDLECKQ-VHSXEESVSA-N 2 0 202.317 1.984 20 0 BDADRP CCOCC(C)(C)C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000423126696 387905081 /nfs/dbraw/zinc/90/50/81/387905081.db2.gz SKSFLEQHWBLDDX-MNOVXSKESA-N 2 0 214.353 1.519 20 0 BDADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)C1C[NH2+]C1 ZINC000423126975 387905435 /nfs/dbraw/zinc/90/54/35/387905435.db2.gz BKVRVKNWWMQAMH-CYBMUJFWSA-N 3 0 239.407 1.450 20 0 BDADRP COc1ccncc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000423127127 387905679 /nfs/dbraw/zinc/90/56/79/387905679.db2.gz JIJPPLHBUACAPM-JQWIXIFHSA-N 2 0 235.331 1.307 20 0 BDADRP CCCC[N@H+](C)C[C@H](C)N[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423129431 387906631 /nfs/dbraw/zinc/90/66/31/387906631.db2.gz XAHBDMJPFGQXQI-MJBXVCDLSA-N 2 0 241.423 1.837 20 0 BDADRP CC(C)N(C)C[C@@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423129456 387908088 /nfs/dbraw/zinc/90/80/88/387908088.db2.gz XBPIFNKCBDWSEY-IYXRBSQSSA-N 2 0 241.423 1.822 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H]1COc2ccccc21 ZINC000423131197 387909302 /nfs/dbraw/zinc/90/93/02/387909302.db2.gz ZOXDNDYQPOSJMR-VXGBXAGGSA-N 2 0 234.343 1.880 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423133160 387909703 /nfs/dbraw/zinc/90/97/03/387909703.db2.gz CHAZPGBTAQKELW-IHRRRGAJSA-N 2 0 241.423 1.837 20 0 BDADRP CC[C@H]([NH2+]CC[C@@H](C)F)[C@@H]1CCC[NH2+]1 ZINC000423131280 387910047 /nfs/dbraw/zinc/91/00/47/387910047.db2.gz HWLVAMREJSCQKJ-VWYCJHECSA-N 2 0 202.317 1.855 20 0 BDADRP CC[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)OC ZINC000423133824 387912339 /nfs/dbraw/zinc/91/23/39/387912339.db2.gz DDAXNKAQAWMBJM-IJLUTSLNSA-N 2 0 214.353 1.389 20 0 BDADRP CCC[N@H+](CC)C[C@@H](C)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000423135210 387912412 /nfs/dbraw/zinc/91/24/12/387912412.db2.gz FNNZXLABHVHHKD-MJBXVCDLSA-N 2 0 241.423 1.694 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)C1CC1 ZINC000423133448 387912458 /nfs/dbraw/zinc/91/24/58/387912458.db2.gz KMNCWPMVABKWOE-WCFLWFBJSA-N 2 0 226.364 1.389 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](CO)C2CC2)c2ccccc21 ZINC000423135232 387913724 /nfs/dbraw/zinc/91/37/24/387913724.db2.gz FRLTXBSWDPRAIZ-KCPJHIHWSA-N 2 0 246.354 1.739 20 0 BDADRP C[C@H](F)CC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000423138928 387916581 /nfs/dbraw/zinc/91/65/81/387916581.db2.gz UKLJPHNWMRVWBD-OUAUKWLOSA-N 2 0 202.317 1.712 20 0 BDADRP COc1ncccc1CC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000423141701 387917661 /nfs/dbraw/zinc/91/76/61/387917661.db2.gz RJWGSVZTFQWCLO-CHWSQXEVSA-N 2 0 249.358 1.350 20 0 BDADRP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424224627 387937270 /nfs/dbraw/zinc/93/72/70/387937270.db2.gz OECOGFRKFQEZKO-GXFFZTMASA-N 2 0 249.358 1.766 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCC[C@@H]1CCOC1 ZINC000423153261 387932643 /nfs/dbraw/zinc/93/26/43/387932643.db2.gz HENHQHSDZSADFK-MCIONIFRSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000423155990 387933693 /nfs/dbraw/zinc/93/36/93/387933693.db2.gz KJTCLAPGLDPNNC-AGIUHOORSA-N 2 0 228.380 1.373 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)CCC[NH3+])c1 ZINC000424219639 387936171 /nfs/dbraw/zinc/93/61/71/387936171.db2.gz BCMJHQKHTYDKEZ-UHFFFAOYSA-N 2 0 221.304 1.131 20 0 BDADRP CCN(C)C(=O)[C@@H]([NH2+][C@H](C)CCC[NH3+])C(C)C ZINC000423157000 387936373 /nfs/dbraw/zinc/93/63/73/387936373.db2.gz LYKZIYFKPYFSBQ-NEPJUHHUSA-N 2 0 243.395 1.206 20 0 BDADRP CCC[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])OC ZINC000423144171 387921142 /nfs/dbraw/zinc/92/11/42/387921142.db2.gz GFGWTFPZTBVXAY-UMSGYPCISA-N 2 0 244.379 1.143 20 0 BDADRP CCC[C@H](C[NH2+][C@@H]1CCC[C@H]1[NH3+])OC ZINC000423146406 387923464 /nfs/dbraw/zinc/92/34/64/387923464.db2.gz PDUTVKKRORFNNN-GMTAPVOTSA-N 2 0 200.326 1.271 20 0 BDADRP Cc1ncsc1CC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000423148412 387925782 /nfs/dbraw/zinc/92/57/82/387925782.db2.gz FVQCVTYTCKXLNR-BDAKNGLRSA-N 2 0 227.377 1.709 20 0 BDADRP Cc1cc(C)c(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cn1 ZINC000423150348 387928316 /nfs/dbraw/zinc/92/83/16/387928316.db2.gz BQHYFIUPDXRTKO-ZYHUDNBSSA-N 2 0 221.348 1.914 20 0 BDADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCC[C@H]1O ZINC000423167036 387951820 /nfs/dbraw/zinc/95/18/20/387951820.db2.gz RUHMOQDRRYRKSS-REWJHTLYSA-N 2 0 240.391 1.800 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000423167897 387952701 /nfs/dbraw/zinc/95/27/01/387952701.db2.gz FZOKAXLTRYAAGE-QWRGUYRKSA-N 3 0 232.331 1.550 20 0 BDADRP CC(C)OCC[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424286690 387953091 /nfs/dbraw/zinc/95/30/91/387953091.db2.gz HUAYBHWFKUMKRS-ZDUSSCGKSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H](NCC[N@H+]1CC=CCC1)[C@@H]1CCCC[NH2+]1 ZINC000392322589 387954927 /nfs/dbraw/zinc/95/49/27/387954927.db2.gz VYAZSJHQDCRTKM-KGLIPLIRSA-N 2 0 237.391 1.369 20 0 BDADRP CCC[C@H]([NH3+])C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424222490 387937674 /nfs/dbraw/zinc/93/76/74/387937674.db2.gz JCWDUQKSKKHVDR-LBPRGKRZSA-N 2 0 235.331 1.520 20 0 BDADRP COc1cccc2c1C[C@H]([NH2+][C@H]1CCC[C@@H]1[NH3+])C2 ZINC000423170912 387956066 /nfs/dbraw/zinc/95/60/66/387956066.db2.gz NDEKUZZXBKJJLT-XBFCOCLRSA-N 2 0 246.354 1.632 20 0 BDADRP CC[C@@H](C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)OC ZINC000423160939 387940569 /nfs/dbraw/zinc/94/05/69/387940569.db2.gz RIYWSVOWDJHTJZ-YIPFDTCYSA-N 2 0 240.391 1.920 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000423159758 387941647 /nfs/dbraw/zinc/94/16/47/387941647.db2.gz GGBSONZHUJGTER-ZDEQEGDKSA-N 2 0 208.349 1.750 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)[C@@H](C)[C@@H](C)[NH3+])c1 ZINC000424236543 387942002 /nfs/dbraw/zinc/94/20/02/387942002.db2.gz JBTHIRJQVULNLO-VHSXEESVSA-N 2 0 235.331 1.376 20 0 BDADRP CC[NH+](CC)CC(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424245418 387943795 /nfs/dbraw/zinc/94/37/95/387943795.db2.gz RWOAFTNURFRBIF-UHFFFAOYSA-N 2 0 249.358 1.734 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000423163115 387945261 /nfs/dbraw/zinc/94/52/61/387945261.db2.gz QTEPXAWQKDQFSW-IRCOFANPSA-N 2 0 212.337 1.007 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCC[C@@H]1CCOC1 ZINC000423163654 387946191 /nfs/dbraw/zinc/94/61/91/387946191.db2.gz RFOATUAFLMFXKC-QJPTWQEYSA-N 2 0 214.353 1.519 20 0 BDADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000423164678 387947961 /nfs/dbraw/zinc/94/79/61/387947961.db2.gz OSOIMYLURCYHLX-MQYQWHSLSA-N 2 0 240.391 1.920 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1CCCO1 ZINC000423164565 387948905 /nfs/dbraw/zinc/94/89/05/387948905.db2.gz WXQAPKIGNZUZBM-QJPTWQEYSA-N 2 0 212.337 1.143 20 0 BDADRP COCC1(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])CCCC1 ZINC000423166183 387949687 /nfs/dbraw/zinc/94/96/87/387949687.db2.gz QUVRZTLDGUOGBF-OLZOCXBDSA-N 2 0 240.391 1.910 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CC[C@H](C)O1 ZINC000423166165 387950075 /nfs/dbraw/zinc/95/00/75/387950075.db2.gz QTLQKQVXHIDEJV-NAKRPEOUSA-N 2 0 200.326 1.269 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000423166366 387950105 /nfs/dbraw/zinc/95/01/05/387950105.db2.gz CLNAHPQYCFETSQ-MROQNXINSA-N 2 0 226.364 1.519 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1NCCC[NH+]1CCCCC1 ZINC000424282801 387950442 /nfs/dbraw/zinc/95/04/42/387950442.db2.gz AORHHMVAYZDYLO-ZIAGYGMSSA-N 2 0 239.407 1.722 20 0 BDADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@H](C)C[C@H](C)[NH3+])C1 ZINC000423166232 387950900 /nfs/dbraw/zinc/95/09/00/387950900.db2.gz QZIISFOYKGVMDD-WHOHXGKFSA-N 2 0 214.353 1.658 20 0 BDADRP Cc1ccc(CC[NH2+][C@@H]2CCC[C@H]2C[NH3+])nc1 ZINC000423165822 387950952 /nfs/dbraw/zinc/95/09/52/387950952.db2.gz QJWHLHVADGFVIW-GXTWGEPZSA-N 2 0 233.359 1.650 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]Cc1nnc(C(C)(C)C)[nH]1 ZINC000423172749 387959681 /nfs/dbraw/zinc/95/96/81/387959681.db2.gz UZBWAODQTBXXEJ-VIFPVBQESA-N 2 0 239.367 1.319 20 0 BDADRP COCC[C@H](C)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000423172371 387960026 /nfs/dbraw/zinc/96/00/26/387960026.db2.gz SMOBSKQHIRILRP-XQQFMLRXSA-N 2 0 228.380 1.766 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1NCC1([NH3+])CCCCC1 ZINC000423176576 387961410 /nfs/dbraw/zinc/96/14/10/387961410.db2.gz HACKYRJCXKXSHJ-NWDGAFQWSA-N 2 0 225.380 1.365 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCC[C@H]1F ZINC000423177337 387963471 /nfs/dbraw/zinc/96/34/71/387963471.db2.gz HFIVGUDYKRIHKB-HBNTYKKESA-N 2 0 202.317 1.984 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CS[C@H](C)C1 ZINC000423179718 387965323 /nfs/dbraw/zinc/96/53/23/387965323.db2.gz JVCLDKRTELVFPO-QEYWKRMJSA-N 2 0 202.367 1.596 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CCC[C@H](CO)C1)[C@@H]1CCC[NH2+]1 ZINC000423179763 387966021 /nfs/dbraw/zinc/96/60/21/387966021.db2.gz KCSGHMIURRYGHI-CRWXNKLISA-N 2 0 240.391 1.658 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CS[C@@H](C)C1 ZINC000423179716 387966344 /nfs/dbraw/zinc/96/63/44/387966344.db2.gz JVCLDKRTELVFPO-AATLWQCWSA-N 2 0 202.367 1.596 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1NCC1([NH3+])CCCCC1 ZINC000423179319 387966369 /nfs/dbraw/zinc/96/63/69/387966369.db2.gz LXYPMZSGUWUOJF-QWHCGFSZSA-N 2 0 239.407 1.755 20 0 BDADRP Cc1ccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)nc1 ZINC000227353487 387957515 /nfs/dbraw/zinc/95/75/15/387957515.db2.gz GQIIEKVDFWHMDD-QWHCGFSZSA-N 2 0 233.359 1.949 20 0 BDADRP COc1ccsc1[C@H](C)[NH2+]CCC[NH3+] ZINC000423193897 387979224 /nfs/dbraw/zinc/97/92/24/387979224.db2.gz QZDYUVSNXFWQJS-QMMMGPOBSA-N 2 0 214.334 1.756 20 0 BDADRP C[C@@H](C[NH3+])c1nc(C2([NH3+])CCCCC2)no1 ZINC000424338962 387980028 /nfs/dbraw/zinc/98/00/28/387980028.db2.gz BNOCZQOAXCPORB-QMMMGPOBSA-N 2 0 224.308 1.250 20 0 BDADRP [NH3+]CCC[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000423197447 387981168 /nfs/dbraw/zinc/98/11/68/387981168.db2.gz ZMAJTZPXRKGWPD-YNEHKIRRSA-N 2 0 226.364 1.520 20 0 BDADRP Cc1c([C@H](C)[NH2+]CCC[NH3+])cnn1C(C)(C)C ZINC000423196411 387981868 /nfs/dbraw/zinc/98/18/68/387981868.db2.gz VGAPUOJFDSZYMU-JTQLQIEISA-N 2 0 238.379 1.946 20 0 BDADRP C[N@H+](CC[C@H]1CCC[NH+]1C)C[C@H]1CCOC1 ZINC000245697964 387973390 /nfs/dbraw/zinc/97/33/90/387973390.db2.gz XDQHLDHDYZSLRV-CHWSQXEVSA-N 2 0 226.364 1.439 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423188860 387974685 /nfs/dbraw/zinc/97/46/85/387974685.db2.gz QRIQWRFYRWXHDV-DGTMBMJNSA-N 2 0 240.391 1.920 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1C[C@@H](C)O[C@H]1C ZINC000423192314 387977516 /nfs/dbraw/zinc/97/75/16/387977516.db2.gz ULXTXPUJQBAINX-SVNGYHJRSA-N 2 0 214.353 1.515 20 0 BDADRP C[C@H]1CC(C)(C)C[C@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000423201090 387988293 /nfs/dbraw/zinc/98/82/93/387988293.db2.gz HIYGFEQOYIFCQX-QWHCGFSZSA-N 2 0 239.407 1.306 20 0 BDADRP C[NH2+]CCC[NH2+][C@H](Cn1cccn1)C(C)C ZINC000423202271 387988418 /nfs/dbraw/zinc/98/84/18/387988418.db2.gz QNVBAJVLNLVNNN-GFCCVEGCSA-N 2 0 224.352 1.107 20 0 BDADRP CC(C)(C)[C@H]1CC[C@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000423207831 387993991 /nfs/dbraw/zinc/99/39/91/387993991.db2.gz SHHAPROLAAXBHO-QWHCGFSZSA-N 2 0 239.407 1.306 20 0 BDADRP C[C@@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423213595 387995014 /nfs/dbraw/zinc/99/50/14/387995014.db2.gz KAVDDINJOACRDF-RNJOBUHISA-N 3 0 225.380 1.105 20 0 BDADRP CCCC[C@H](C)[C@H](C)[NH2+]CCN1CC[NH2+]CC1 ZINC000423199211 387986392 /nfs/dbraw/zinc/98/63/92/387986392.db2.gz AULOAGZZBTVUTR-KBPBESRZSA-N 2 0 241.423 1.696 20 0 BDADRP C[C@H]1C[C@@H](N[C@@H]2CCCC[C@H]2[NH3+])CC[N@@H+]1C ZINC000424376493 387998384 /nfs/dbraw/zinc/99/83/84/387998384.db2.gz PKGURUYHTJNCMX-WUHRBBMRSA-N 2 0 225.380 1.329 20 0 BDADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423216599 388000011 /nfs/dbraw/zinc/00/00/11/388000011.db2.gz RWTGPVVEYPTMTG-RDBSUJKOSA-N 2 0 240.391 1.781 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424382733 388001212 /nfs/dbraw/zinc/00/12/12/388001212.db2.gz SLBXNWFGQHLRBV-RVMXOQNASA-N 2 0 208.349 1.892 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000423223175 388004488 /nfs/dbraw/zinc/00/44/88/388004488.db2.gz FDXITHQVQZZEPR-XDQVBPFNSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000423226414 388008788 /nfs/dbraw/zinc/00/87/88/388008788.db2.gz QPZRDRRWOQUKMS-IRCOFANPSA-N 2 0 226.364 1.517 20 0 BDADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCC[C@H](C)[NH3+] ZINC000423225881 388009213 /nfs/dbraw/zinc/00/92/13/388009213.db2.gz OPMMCSZEBOBWSW-SCRDCRAPSA-N 2 0 235.375 1.272 20 0 BDADRP C[C@H](NC[C@H]([NH3+])c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423241589 388023842 /nfs/dbraw/zinc/02/38/42/388023842.db2.gz DHXWAKYHQVPOKZ-UBHSHLNASA-N 2 0 233.359 1.417 20 0 BDADRP C([NH2+][C@@H]1CC[C@@H]1C1CCC1)[C@@H]1CCC[NH2+]1 ZINC000423229048 388015601 /nfs/dbraw/zinc/01/56/01/388015601.db2.gz ABYAYFUIPFACOS-YNEHKIRRSA-N 2 0 208.349 1.907 20 0 BDADRP C([NH2+][C@H]1CC[C@@H]1C1CCC1)[C@@H]1CCC[NH2+]1 ZINC000423229047 388015669 /nfs/dbraw/zinc/01/56/69/388015669.db2.gz ABYAYFUIPFACOS-XQQFMLRXSA-N 2 0 208.349 1.907 20 0 BDADRP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423230713 388015840 /nfs/dbraw/zinc/01/58/40/388015840.db2.gz FEBVUYCDKLDPPN-YNEHKIRRSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@@H]([NH3+])c1ccccc1 ZINC000423232315 388017298 /nfs/dbraw/zinc/01/72/98/388017298.db2.gz BWNKOHWGOWEWIM-BPLDGKMQSA-N 2 0 247.386 1.616 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)[C@@H]1CCCC[NH2+]1 ZINC000423238444 388022665 /nfs/dbraw/zinc/02/26/65/388022665.db2.gz AKEWJBHMQKWAEU-AGIUHOORSA-N 3 0 225.380 1.106 20 0 BDADRP CC[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cnn(C)c1 ZINC000423250881 388032892 /nfs/dbraw/zinc/03/28/92/388032892.db2.gz RDMLMKPVAGDFIQ-DGCLKSJQSA-N 2 0 236.363 1.460 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccco1 ZINC000423252010 388032953 /nfs/dbraw/zinc/03/29/53/388032953.db2.gz SUKJAYYKTUDFQU-WDEREUQCSA-N 2 0 208.305 1.930 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cccc(CO)c1 ZINC000423250691 388034219 /nfs/dbraw/zinc/03/42/19/388034219.db2.gz QVAUHHARIFHIJK-OLZOCXBDSA-N 2 0 248.370 1.829 20 0 BDADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ccnn1C ZINC000423270091 388034967 /nfs/dbraw/zinc/03/49/67/388034967.db2.gz GAKUWKOZJJUVHM-SRVKXCTJSA-N 2 0 236.363 1.588 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1NC[C@H]([NH3+])c1ccccc1 ZINC000423254582 388035522 /nfs/dbraw/zinc/03/55/22/388035522.db2.gz YOWGDDSIFNXSKR-IHRRRGAJSA-N 2 0 233.359 1.403 20 0 BDADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)C[NH2+]C ZINC000423255526 388037387 /nfs/dbraw/zinc/03/73/87/388037387.db2.gz AHNYZVDOVKNEPG-AVGNSLFASA-N 2 0 228.380 1.637 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)CC[N@@H+]1C ZINC000423255114 388037670 /nfs/dbraw/zinc/03/76/70/388037670.db2.gz AUOQVPMLUWKPOI-MGPQQGTHSA-N 3 0 239.407 1.448 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000082645467 388038023 /nfs/dbraw/zinc/03/80/23/388038023.db2.gz ZKEQNRKDKINRNH-NWDGAFQWSA-N 2 0 219.332 1.641 20 0 BDADRP COCCC[C@@H](C)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423258880 388038454 /nfs/dbraw/zinc/03/84/54/388038454.db2.gz MYPVTQGCBGARSL-OLZOCXBDSA-N 2 0 228.380 1.781 20 0 BDADRP CC(C)C[C@H](CN)[NH2+][C@@H](C)CCCC[NH3+] ZINC000423262370 388040441 /nfs/dbraw/zinc/04/04/41/388040441.db2.gz MFYALEBPEUFAFM-NWDGAFQWSA-N 2 0 215.385 1.467 20 0 BDADRP CCN1C[C@H](C)[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)C1 ZINC000423262516 388040748 /nfs/dbraw/zinc/04/07/48/388040748.db2.gz VORMXFRQHWBEQH-BFHYXJOUSA-N 2 0 239.407 1.306 20 0 BDADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C ZINC000423263831 388041461 /nfs/dbraw/zinc/04/14/61/388041461.db2.gz PCTVZQUWWZOUCB-NEPJUHHUSA-N 2 0 243.395 1.206 20 0 BDADRP Cc1ncc([C@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)c(C)n1 ZINC000423245087 388027529 /nfs/dbraw/zinc/02/75/29/388027529.db2.gz INHVLQZVPBKJDY-GXFFZTMASA-N 2 0 248.374 1.744 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)[C@H]1CCOC1 ZINC000423245033 388028717 /nfs/dbraw/zinc/02/87/17/388028717.db2.gz YAROSUBSCYKAJP-SRVKXCTJSA-N 2 0 212.337 1.143 20 0 BDADRP COC[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000423248383 388029737 /nfs/dbraw/zinc/02/97/37/388029737.db2.gz NGBBUYXXYRWDPZ-GXTWGEPZSA-N 2 0 240.391 1.781 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCO2)[C@@H]2CCC[C@@H]21 ZINC000453278685 388031159 /nfs/dbraw/zinc/03/11/59/388031159.db2.gz HZNYEXNYTPONCJ-RFGFWPKPSA-N 2 0 238.375 1.628 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@@](C)(O)CC)CC1 ZINC000083461945 388053366 /nfs/dbraw/zinc/05/33/66/388053366.db2.gz JZAWLHWCWVYUEV-ZDUSSCGKSA-N 2 0 228.380 1.611 20 0 BDADRP C[C@@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000083683314 388058857 /nfs/dbraw/zinc/05/88/57/388058857.db2.gz MMJPWRUCOVCUFQ-AEGPPILISA-N 2 0 230.355 1.941 20 0 BDADRP CCC([NH3+])(CC)C[NH2+][C@H](C)[C@@H](C)OC ZINC000423282215 388063578 /nfs/dbraw/zinc/06/35/78/388063578.db2.gz CLFXMKJIZFPLCG-NXEZZACHSA-N 2 0 202.342 1.517 20 0 BDADRP C[NH2+]C[C@H](C)CN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423284722 388067776 /nfs/dbraw/zinc/06/77/76/388067776.db2.gz YXEBIYSAICNFCG-SDDRHHMPSA-N 2 0 213.369 1.092 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)C[NH2+]C)C12CCC2 ZINC000423285041 388069813 /nfs/dbraw/zinc/06/98/13/388069813.db2.gz ZFADSKDUEDFEEO-YNEHKIRRSA-N 2 0 240.391 1.779 20 0 BDADRP CCC([NH3+])(CC)CN[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000423287490 388071010 /nfs/dbraw/zinc/07/10/10/388071010.db2.gz MPSZHEIWGAYNHG-WCQYABFASA-N 2 0 239.407 1.576 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@H](C)O2)[C@@H](C)C1 ZINC000453400770 388071896 /nfs/dbraw/zinc/07/18/96/388071896.db2.gz CZCJAVCMILGXAC-XUXIUFHCSA-N 2 0 240.391 1.874 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@H](C)O2)[C@H](C)C1 ZINC000453400768 388072027 /nfs/dbraw/zinc/07/20/27/388072027.db2.gz CZCJAVCMILGXAC-RFGFWPKPSA-N 2 0 240.391 1.874 20 0 BDADRP CCC([NH3+])(CC)CN[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000423287488 388072101 /nfs/dbraw/zinc/07/21/01/388072101.db2.gz MPSZHEIWGAYNHG-AAEUAGOBSA-N 2 0 239.407 1.576 20 0 BDADRP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]CC(C)(C)[NH3+] ZINC000423288640 388072717 /nfs/dbraw/zinc/07/27/17/388072717.db2.gz UBJPOOQXOOUBSJ-NSHDSACASA-N 2 0 249.358 1.731 20 0 BDADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCC(C)(C)[NH3+] ZINC000423288388 388073100 /nfs/dbraw/zinc/07/31/00/388073100.db2.gz RXUARIXMAQIVQZ-WCQYABFASA-N 2 0 235.375 1.272 20 0 BDADRP CC(C)([NH3+])C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423289321 388074652 /nfs/dbraw/zinc/07/46/52/388074652.db2.gz WTQBLWRGYPYSTG-GRYCIOLGSA-N 2 0 238.375 1.661 20 0 BDADRP CCC([NH3+])(CC)CN[C@H]1CC[N@H+](C)C[C@H]1C ZINC000423289946 388074719 /nfs/dbraw/zinc/07/47/19/388074719.db2.gz YOVSDXGOZKBTIF-NEPJUHHUSA-N 2 0 227.396 1.434 20 0 BDADRP CCC([NH3+])(CC)C[NH2+][C@H](COC)C(C)C ZINC000423289726 388074843 /nfs/dbraw/zinc/07/48/43/388074843.db2.gz XWXPUMYOBUNEGR-LLVKDONJSA-N 2 0 216.369 1.765 20 0 BDADRP CC(C)([NH3+])C[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000423290364 388075056 /nfs/dbraw/zinc/07/50/56/388075056.db2.gz ZUTBVIXYLPGECG-JHJVBQTASA-N 2 0 240.391 1.909 20 0 BDADRP C[C@H]([NH3+])c1ccc(CN[C@@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000423293144 388075412 /nfs/dbraw/zinc/07/54/12/388075412.db2.gz PZHKECAGRXWNQK-HUBLWGQQSA-N 2 0 247.386 1.936 20 0 BDADRP CCC([NH3+])(CC)C[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000423291390 388075817 /nfs/dbraw/zinc/07/58/17/388075817.db2.gz ICRMPNPMWLPBRR-HBNTYKKESA-N 2 0 214.353 1.659 20 0 BDADRP CCCC[C@@H](C[NH3+])N[C@H](C)c1c[nH+]ccc1N ZINC000423293732 388076088 /nfs/dbraw/zinc/07/60/88/388076088.db2.gz AQMRIRDJLGIHBJ-MNOVXSKESA-N 2 0 236.363 1.662 20 0 BDADRP CCC([NH3+])(CC)CN[C@H]1CCC[C@@H]1C[NH3+] ZINC000423296609 388078161 /nfs/dbraw/zinc/07/81/61/388078161.db2.gz ZNQLSPGDJSXACP-MNOVXSKESA-N 2 0 213.369 1.221 20 0 BDADRP CCC([NH3+])(CC)CN[C@H]1CCC[C@H]1C[NH3+] ZINC000423296610 388078500 /nfs/dbraw/zinc/07/85/00/388078500.db2.gz ZNQLSPGDJSXACP-QWRGUYRKSA-N 2 0 213.369 1.221 20 0 BDADRP COc1cccc2c1CC[C@H]2[NH2+]C[C@H](C)C[NH3+] ZINC000423297299 388078973 /nfs/dbraw/zinc/07/89/73/388078973.db2.gz JRKCQDAVKVCULF-ZWNOBZJWSA-N 2 0 234.343 1.867 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423297762 388080022 /nfs/dbraw/zinc/08/00/22/388080022.db2.gz LTQRGNRWVHPCQS-UTUOFQBUSA-N 2 0 213.369 1.234 20 0 BDADRP Cn1nccc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453602558 388090959 /nfs/dbraw/zinc/09/09/59/388090959.db2.gz WVBMRJGVQKTMDA-UHFFFAOYSA-N 2 0 236.363 1.384 20 0 BDADRP CC1(C)[C@H]([NH2+]C2CCC([NH3+])CC2)[C@@H]2CCO[C@@H]21 ZINC000085637721 388093366 /nfs/dbraw/zinc/09/33/66/388093366.db2.gz OUNVKCQBZZBNLM-WJFHSMSDSA-N 2 0 238.375 1.659 20 0 BDADRP CCCC[NH+]1CCC(N[C@H]2CC[NH2+]C2)CC1 ZINC000086727906 388107786 /nfs/dbraw/zinc/10/77/86/388107786.db2.gz JZTSGMRADKMVLJ-ZDUSSCGKSA-N 2 0 225.380 1.202 20 0 BDADRP CCCC[NH+]1CCC(N[C@@H]2CC[NH2+]C2)CC1 ZINC000086727903 388107867 /nfs/dbraw/zinc/10/78/67/388107867.db2.gz JZTSGMRADKMVLJ-CYBMUJFWSA-N 2 0 225.380 1.202 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1ccncc1 ZINC000423266535 388045169 /nfs/dbraw/zinc/04/51/69/388045169.db2.gz DEDUXEXQDYOXBU-MNOVXSKESA-N 2 0 207.321 1.588 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000423267477 388046085 /nfs/dbraw/zinc/04/60/85/388046085.db2.gz FEMNKDLDPNNREA-QNWHQSFQSA-N 2 0 238.375 1.389 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423272309 388050806 /nfs/dbraw/zinc/05/08/06/388050806.db2.gz JUOMCJIJPVSXPK-UPJWGTAASA-N 3 0 225.380 1.106 20 0 BDADRP CCSCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261528440 135153537 /nfs/dbraw/zinc/15/35/37/135153537.db2.gz LRYWBNLZRJVLCS-QWRGUYRKSA-N 2 0 214.378 1.281 20 0 BDADRP C[N@H+](C[C@H]1CCC[NH2+]C1)[C@H]1CCSC1 ZINC000250354309 388174686 /nfs/dbraw/zinc/17/46/86/388174686.db2.gz BHQASQCQSITTFV-QWRGUYRKSA-N 2 0 214.378 1.423 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H](C)CCO)[C@H](C)C1 ZINC000449359902 388181409 /nfs/dbraw/zinc/18/14/09/388181409.db2.gz RUSDXVGJACMTOD-MCIONIFRSA-N 2 0 242.407 1.715 20 0 BDADRP CCC[NH2+]CCNC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000449369963 388184270 /nfs/dbraw/zinc/18/42/70/388184270.db2.gz GROKYKKLSCNONH-NEPJUHHUSA-N 2 0 241.379 1.010 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000162174174 388121098 /nfs/dbraw/zinc/12/10/98/388121098.db2.gz RPXNLRUFPYNCMS-KWCYVHTRSA-N 2 0 242.407 1.856 20 0 BDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)CCCC[NH3+] ZINC000646012636 388124567 /nfs/dbraw/zinc/12/45/67/388124567.db2.gz UNAKMBKXFTZGOU-LBPRGKRZSA-N 2 0 241.379 1.106 20 0 BDADRP COCC1CCC([NH2+]C[C@@H]2CCCN2C)CC1 ZINC000449099856 388142241 /nfs/dbraw/zinc/14/22/41/388142241.db2.gz ABKWGZGHELWPIG-RUXDESIVSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1C[N@H+](CCn2ccnc2)CC2(CCCC2)O1 ZINC000646134926 388152179 /nfs/dbraw/zinc/15/21/79/388152179.db2.gz ZHUISNULDZUAKW-CYBMUJFWSA-N 2 0 249.358 1.917 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CC1=CCCOC1 ZINC000379737411 388255579 /nfs/dbraw/zinc/25/55/79/388255579.db2.gz RLTUHULNWLSGSE-NSHDSACASA-N 2 0 212.337 1.440 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCCN1CCCO)C1CCC1 ZINC000449386666 388191074 /nfs/dbraw/zinc/19/10/74/388191074.db2.gz JBFVPOUKENPWJN-OCCSQVGLSA-N 2 0 240.391 1.611 20 0 BDADRP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCCN1CCCO ZINC000449387906 388191133 /nfs/dbraw/zinc/19/11/33/388191133.db2.gz NLBRAXLLWWKPME-MJBXVCDLSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1COCC1(C)C ZINC000313015198 256533393 /nfs/dbraw/zinc/53/33/93/256533393.db2.gz FISJDJUBDBTWGF-GHMZBOCLSA-N 2 0 214.353 1.519 20 0 BDADRP CC[C@H](O)[C@H](CC)[NH2+][C@@H](C)CCCC[NH3+] ZINC000313103685 256537869 /nfs/dbraw/zinc/53/78/69/256537869.db2.gz WFXPUBKQMVESJN-SRVKXCTJSA-N 2 0 216.369 1.643 20 0 BDADRP CC[NH2+][C@H](C)CNC(=O)[C@H](CC(C)(C)C)[NH2+]C ZINC000449500852 388220197 /nfs/dbraw/zinc/22/01/97/388220197.db2.gz OJFPOTBYOZPSQG-MNOVXSKESA-N 2 0 243.395 1.125 20 0 BDADRP CC[C@@H]([NH2+]Cc1cccc2nccn21)[C@H](C)O ZINC000449547002 388228934 /nfs/dbraw/zinc/22/89/34/388228934.db2.gz WTQKPSVEWKFFBO-CMPLNLGQSA-N 2 0 233.315 1.583 20 0 BDADRP CCC[NH2+][C@@H](C)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000449549427 388230097 /nfs/dbraw/zinc/23/00/97/388230097.db2.gz XWGHSAXDMTZTRR-QWRGUYRKSA-N 2 0 229.368 1.008 20 0 BDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CCC[NH3+] ZINC000449569337 388235338 /nfs/dbraw/zinc/23/53/38/388235338.db2.gz BEBNIGLPCXUSRY-VXGBXAGGSA-N 2 0 241.379 1.104 20 0 BDADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@H](C)CCC[NH3+] ZINC000449574543 388237140 /nfs/dbraw/zinc/23/71/40/388237140.db2.gz XMZQBMHADMYVND-MNOVXSKESA-N 2 0 243.395 1.254 20 0 BDADRP CNC(=O)C[C@@H](C)[NH2+]CCCc1cnccc1C ZINC000449605735 388240681 /nfs/dbraw/zinc/24/06/81/388240681.db2.gz XBCKCHCENIMEDP-GFCCVEGCSA-N 2 0 249.358 1.437 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000449622165 388244461 /nfs/dbraw/zinc/24/44/61/388244461.db2.gz CSLVEJPFPQNQSU-ZDUSSCGKSA-N 2 0 249.358 1.862 20 0 BDADRP CCSCC[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000164792054 388248441 /nfs/dbraw/zinc/24/84/41/388248441.db2.gz BKSDDXDPNYLEPJ-LLVKDONJSA-N 2 0 228.405 1.813 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCOC(C)(C)C)CC[N@@H+]1C ZINC000163719577 388366690 /nfs/dbraw/zinc/36/66/90/388366690.db2.gz HIAMMBXPBMBMSD-NEPJUHHUSA-N 2 0 228.380 1.874 20 0 BDADRP C[C@@H](CO)[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000086500949 388367983 /nfs/dbraw/zinc/36/79/83/388367983.db2.gz LLWSBTZKBUWYNG-SRVKXCTJSA-N 2 0 214.353 1.268 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000236763456 388382392 /nfs/dbraw/zinc/38/23/92/388382392.db2.gz RPXOWALFSQICFL-WOPDTQHZSA-N 2 0 241.379 1.090 20 0 BDADRP CC(C)(CO)CCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000393374030 388383840 /nfs/dbraw/zinc/38/38/40/388383840.db2.gz IZVMSUUCAJLOKS-QWHCGFSZSA-N 2 0 242.407 1.892 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](O)C1CCC1 ZINC000316055809 388406127 /nfs/dbraw/zinc/40/61/27/388406127.db2.gz XUQXSFVZNQZEDY-HBJVGIJOSA-N 2 0 240.391 1.466 20 0 BDADRP FC1(F)CC[C@H](C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000300854766 388398641 /nfs/dbraw/zinc/39/86/41/388398641.db2.gz KBDMWJWNVKUEOE-GARJFASQSA-N 2 0 230.302 1.573 20 0 BDADRP CC[C@](C)(C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)OC ZINC000322653577 388442849 /nfs/dbraw/zinc/44/28/49/388442849.db2.gz YGNCBULPZXMSTR-FRRDWIJNSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000393903055 388445773 /nfs/dbraw/zinc/44/57/73/388445773.db2.gz ITHHUOWOUMUFOI-KJPMQGKISA-N 2 0 232.318 1.958 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CCc1ccccc1 ZINC000336697825 388464552 /nfs/dbraw/zinc/46/45/52/388464552.db2.gz OKAOFSXMTQXYFI-GFCCVEGCSA-N 2 0 206.333 1.946 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@H]1CCCc2occc21 ZINC000336706173 388465426 /nfs/dbraw/zinc/46/54/26/388465426.db2.gz RJUAAILWMCQACC-KOLCDFICSA-N 2 0 208.305 1.841 20 0 BDADRP CC(C)(C)[NH2+]CCN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000516062599 388470250 /nfs/dbraw/zinc/47/02/50/388470250.db2.gz FDQOVUPLFIAGNE-CQSZACIVSA-N 2 0 239.407 1.450 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)C1 ZINC000573020542 388407343 /nfs/dbraw/zinc/40/73/43/388407343.db2.gz OFFZUXIVALZQDV-XQQFMLRXSA-N 2 0 225.380 1.236 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCCN1C)c1cn[nH]c1 ZINC000296045484 388416747 /nfs/dbraw/zinc/41/67/47/388416747.db2.gz QWNHLWWXYMNBRD-KOLCDFICSA-N 2 0 208.309 1.155 20 0 BDADRP CC(C)[C@@](C)(O)C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000261538934 135176894 /nfs/dbraw/zinc/17/68/94/135176894.db2.gz ZVZODYJYCKYJOZ-RYUDHWBXSA-N 2 0 214.353 1.125 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCOC1 ZINC000339075575 388479699 /nfs/dbraw/zinc/47/96/99/388479699.db2.gz PKHIRWCOAYHIIC-HZSPNIEDSA-N 2 0 238.375 1.629 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H]2C(F)F)[C@H](C)C1 ZINC000393522305 388432520 /nfs/dbraw/zinc/43/25/20/388432520.db2.gz QGSOOUUZVCNUDB-RCWTZXSCSA-N 2 0 232.318 1.960 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CC(C)(C)C(C)(C)O ZINC000393644624 388436579 /nfs/dbraw/zinc/43/65/79/388436579.db2.gz FFEDAEOUDSGEIW-JTQLQIEISA-N 2 0 216.369 1.501 20 0 BDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CC[C@@H]1CCOC1 ZINC000339409390 388482835 /nfs/dbraw/zinc/48/28/35/388482835.db2.gz LZIWAJMCJBPEEM-CHWSQXEVSA-N 2 0 228.380 1.718 20 0 BDADRP CC[NH+](CCOCC[N@@H+](CC)C1CC1)C1CC1 ZINC000178593612 388503125 /nfs/dbraw/zinc/50/31/25/388503125.db2.gz LZFOIEXXAQEHDJ-UHFFFAOYSA-N 2 0 240.391 1.972 20 0 BDADRP C[NH+](CCOCC[N@@H+](C)CC1CC1)CC1CC1 ZINC000178595862 388503233 /nfs/dbraw/zinc/50/32/33/388503233.db2.gz QQJLGXGCWLWVJO-UHFFFAOYSA-N 2 0 240.391 1.687 20 0 BDADRP CCC[NH+]1CCC([NH2+]CC2=CCOCC2)CC1 ZINC000397837598 388504633 /nfs/dbraw/zinc/50/46/33/388504633.db2.gz NGPYJELQHHDEIE-UHFFFAOYSA-N 2 0 238.375 1.797 20 0 BDADRP CC[C@]1(C)C[N@H+](CCCn2ccnc2)CCO1 ZINC000135699493 388505712 /nfs/dbraw/zinc/50/57/12/388505712.db2.gz GHKKLOCZLKCESA-CYBMUJFWSA-N 2 0 237.347 1.774 20 0 BDADRP CSC[C@H](O)C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000517127826 256815754 /nfs/dbraw/zinc/81/57/54/256815754.db2.gz PIEGYJCWUBBEPD-SDDRHHMPSA-N 2 0 246.420 1.173 20 0 BDADRP CC[N@H+](C)C[C@@H](O)CN1CCC[C@@](C)(F)C1 ZINC000516935971 388526557 /nfs/dbraw/zinc/52/65/57/388526557.db2.gz OOSQOQIKLGAEJJ-VXGBXAGGSA-N 2 0 232.343 1.123 20 0 BDADRP CCCC[N@H+](C)CCNC(=O)CCC(C)(C)[NH3+] ZINC000649312806 388600337 /nfs/dbraw/zinc/60/03/37/388600337.db2.gz XWVKSGYSJKGPDZ-UHFFFAOYSA-N 2 0 243.395 1.352 20 0 BDADRP C[C@@H](CN[C@@H]1CC[N@H+](C)C[C@H]1C)[NH+](C)C1CC1 ZINC000361183621 388559796 /nfs/dbraw/zinc/55/97/96/388559796.db2.gz ZGMDOTDAWXQROL-MBNYWOFBSA-N 2 0 239.407 1.399 20 0 BDADRP CO[C@](C)(C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)C1CC1 ZINC000361011331 388560084 /nfs/dbraw/zinc/56/00/84/388560084.db2.gz SGRQKKLHZZYGFD-FPMFFAJLSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCCCC[C@H]2[NH3+])CO1 ZINC000517567250 256828637 /nfs/dbraw/zinc/82/86/37/256828637.db2.gz GJDDXMNJEHRUPS-KXNHARMFSA-N 2 0 212.337 1.413 20 0 BDADRP COC[C@@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247690087 388668312 /nfs/dbraw/zinc/66/83/12/388668312.db2.gz VTMUJJHESIKAFA-NEPJUHHUSA-N 2 0 214.353 1.295 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@@](C)(O)C1 ZINC000191818579 388670092 /nfs/dbraw/zinc/67/00/92/388670092.db2.gz GGYAGSWQCKNPMR-CYBMUJFWSA-N 2 0 228.380 1.565 20 0 BDADRP Cn1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)n1 ZINC000522020460 388675375 /nfs/dbraw/zinc/67/53/75/388675375.db2.gz BGBAGRHKVBMEHD-UHFFFAOYSA-N 2 0 236.363 1.194 20 0 BDADRP CO[C@H](C)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000248421416 388679166 /nfs/dbraw/zinc/67/91/66/388679166.db2.gz MGQNXKAREBZZKD-CHWSQXEVSA-N 2 0 228.380 1.828 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000530178815 388621331 /nfs/dbraw/zinc/62/13/31/388621331.db2.gz OBCCBQVVVNSLAT-MRVWCRGKSA-N 2 0 249.402 1.343 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000530217048 388629904 /nfs/dbraw/zinc/62/99/04/388629904.db2.gz RVTXAMBJAZUAPJ-JHJVBQTASA-N 2 0 237.391 1.521 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2CCOCC2)[C@@H](C)C1 ZINC000246321265 388630343 /nfs/dbraw/zinc/63/03/43/388630343.db2.gz MYMLIVURMNINHL-GXTWGEPZSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H](C[NH2+]C1CC[NH2+]CC1)c1ccncc1 ZINC000530222581 388633168 /nfs/dbraw/zinc/63/31/68/388633168.db2.gz RPXKZNATGZRKEG-NSHDSACASA-N 2 0 219.332 1.527 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000530226635 388635072 /nfs/dbraw/zinc/63/50/72/388635072.db2.gz SXNMLDXKVVEJHN-DGORSVRFSA-N 2 0 214.353 1.515 20 0 BDADRP CC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530237027 388638350 /nfs/dbraw/zinc/63/83/50/388638350.db2.gz BDOOXLAOWRIYKD-LBPRGKRZSA-N 2 0 212.337 1.097 20 0 BDADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](CC)COC)C1 ZINC000247017792 388657574 /nfs/dbraw/zinc/65/75/74/388657574.db2.gz LPHFMGBGUXOLAQ-QWHCGFSZSA-N 2 0 228.380 1.733 20 0 BDADRP C[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000247213710 388660488 /nfs/dbraw/zinc/66/04/88/388660488.db2.gz MAVGQAZEPRSWMW-CHWSQXEVSA-N 2 0 208.349 1.979 20 0 BDADRP CO[C@@H]1C[N@H+](CC[C@H]2CCC[NH+]2C)CC[C@@H]1C ZINC000251795812 388753574 /nfs/dbraw/zinc/75/35/74/388753574.db2.gz MBPUVDPJNCNBIO-BFHYXJOUSA-N 2 0 240.391 1.828 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000126177437 388690040 /nfs/dbraw/zinc/69/00/40/388690040.db2.gz QMVCRHJAVNNVQL-OCCSQVGLSA-N 2 0 239.407 1.401 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H]2CCCOCC2)CC1 ZINC000086874280 388691812 /nfs/dbraw/zinc/69/18/12/388691812.db2.gz VTORQAKAZWVINO-AWEZNQCLSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000126209752 388692452 /nfs/dbraw/zinc/69/24/52/388692452.db2.gz VHYRCDYYMDUVDO-WCQYABFASA-N 2 0 226.364 1.343 20 0 BDADRP COCC1([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000538551945 388701426 /nfs/dbraw/zinc/70/14/26/388701426.db2.gz LDYBKMDWORJUIK-UHFFFAOYSA-N 2 0 238.375 1.629 20 0 BDADRP CC[NH+](CC)CCC[N@H+](C)C[C@H]1CCC[C@H]1O ZINC000249072748 388706796 /nfs/dbraw/zinc/70/67/96/388706796.db2.gz QPPZVSCGZFRGRE-ZIAGYGMSSA-N 2 0 242.407 1.811 20 0 BDADRP CC[C@@H](CO)[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000249082499 388707738 /nfs/dbraw/zinc/70/77/38/388707738.db2.gz DIQREXVGAWIWBR-WISYIIOYSA-N 2 0 214.353 1.076 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@H+](CC[C@H]2CCCO2)C1 ZINC000249289082 388715392 /nfs/dbraw/zinc/71/53/92/388715392.db2.gz MCBKVEJMAGFNAQ-QWHCGFSZSA-N 2 0 226.364 1.439 20 0 BDADRP CCCC[N@H+](C)CCNC(=O)[C@@H](CC)[NH+](C)C ZINC000127480787 388724500 /nfs/dbraw/zinc/72/45/00/388724500.db2.gz NUXPMRKTGBOCEM-GFCCVEGCSA-N 2 0 243.395 1.175 20 0 BDADRP COC[C@@H](C)C[NH2+]CCN1CCC[C@H](C)C1 ZINC000253294071 388813884 /nfs/dbraw/zinc/81/38/84/388813884.db2.gz CGRJANYANOUJCL-STQMWFEESA-N 2 0 228.380 1.590 20 0 BDADRP CC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000229966951 388806071 /nfs/dbraw/zinc/80/60/71/388806071.db2.gz VTIFRUBFSBJSOY-QNWHQSFQSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@@H]1C[C@H](NCCC[NH+](C)C)CC[N@@H+]1C ZINC000129553269 388851877 /nfs/dbraw/zinc/85/18/77/388851877.db2.gz XSCJRQGGNYXKLC-VXGBXAGGSA-N 2 0 213.369 1.010 20 0 BDADRP CC[NH+]1CCC(C[NH2+]Cc2cc(C)on2)CC1 ZINC000564782193 388889109 /nfs/dbraw/zinc/88/91/09/388889109.db2.gz RECBFQUOAZMRHT-UHFFFAOYSA-N 2 0 237.347 1.805 20 0 BDADRP C[C@H](O)C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000564854425 388893643 /nfs/dbraw/zinc/89/36/43/388893643.db2.gz MMOFVAWRDBXQFR-WDEREUQCSA-N 2 0 216.369 1.323 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)C2([NH3+])CCC2)c1 ZINC000564946989 388900319 /nfs/dbraw/zinc/90/03/19/388900319.db2.gz FBXIRUOCLCKMGS-UHFFFAOYSA-N 2 0 233.315 1.226 20 0 BDADRP Cn1ccc(C[NH2+]CCCN2CCC2)c1 ZINC000565218072 388927242 /nfs/dbraw/zinc/92/72/42/388927242.db2.gz WDISOCHQHNOMEE-UHFFFAOYSA-N 2 0 207.321 1.211 20 0 BDADRP CCN(C)C[C@@H](O)C[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000565724111 388963723 /nfs/dbraw/zinc/96/37/23/388963723.db2.gz LTPLOJDIQJYYJL-UONOGXRCSA-N 2 0 240.391 1.421 20 0 BDADRP CCN(C)C[C@H](O)C[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000565724110 388966536 /nfs/dbraw/zinc/96/65/36/388966536.db2.gz LTPLOJDIQJYYJL-KGLIPLIRSA-N 2 0 240.391 1.421 20 0 BDADRP CCC[C@H](C)CN(CC[NH+](C)C)CC[NH+](C)C ZINC000565508301 388950236 /nfs/dbraw/zinc/95/02/36/388950236.db2.gz POXHOTFPOUCBAI-AWEZNQCLSA-N 2 0 243.439 1.848 20 0 BDADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccncn1 ZINC000565834492 388972622 /nfs/dbraw/zinc/97/26/22/388972622.db2.gz SEEWFHVJYPFEAY-LLVKDONJSA-N 2 0 242.326 1.786 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCNc2ccccn2)C1 ZINC000565843429 388973574 /nfs/dbraw/zinc/97/35/74/388973574.db2.gz NTNYDCSNKZMIEW-NEPJUHHUSA-N 2 0 234.347 1.353 20 0 BDADRP CC[NH2+]CCC[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000566004138 388982647 /nfs/dbraw/zinc/98/26/47/388982647.db2.gz WNYQZSYZZCUVIS-STQMWFEESA-N 2 0 228.380 1.779 20 0 BDADRP C(C[N@@H+]1CC[C@@]2(CCOC2)C1)C1CC[NH2+]CC1 ZINC000336081012 533364255 /nfs/dbraw/zinc/36/42/55/533364255.db2.gz YTVSKWWIGBELFO-CQSZACIVSA-N 2 0 238.375 1.489 20 0 BDADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000400744812 533376245 /nfs/dbraw/zinc/37/62/45/533376245.db2.gz UHDOIBFJXULVMU-OCCSQVGLSA-N 3 0 239.407 1.448 20 0 BDADRP C([C@H]1CCSC1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261531698 533377106 /nfs/dbraw/zinc/37/71/06/533377106.db2.gz HNCOLRYTGPZFEX-UTUOFQBUSA-N 2 0 226.389 1.423 20 0 BDADRP C[C@@H](NCC[NH+]1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000400720067 533394625 /nfs/dbraw/zinc/39/46/25/533394625.db2.gz OGDBREQXZZXCSF-OLZOCXBDSA-N 2 0 225.380 1.202 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCO[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000400507457 533525025 /nfs/dbraw/zinc/52/50/25/533525025.db2.gz KKJDASUSAHUVBU-DDHJBXDOSA-N 2 0 212.337 1.284 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCOC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000400692573 533546873 /nfs/dbraw/zinc/54/68/73/533546873.db2.gz ZLTNCOBGSBGQLD-WISYIIOYSA-N 2 0 212.337 1.142 20 0 BDADRP Cc1cc(N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cc[nH+]1 ZINC000292909366 132219267 /nfs/dbraw/zinc/21/92/67/132219267.db2.gz XICWKKGEBTXAEF-TXEJJXNPSA-N 2 0 219.332 1.919 20 0 BDADRP COc1c[nH+]ccc1N1CC[NH+](CC(C)C)CC1 ZINC000355649572 132270863 /nfs/dbraw/zinc/27/08/63/132270863.db2.gz LBROFHNWMQEONJ-UHFFFAOYSA-N 2 0 249.358 1.868 20 0 BDADRP CC[C@H](CO)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000036960344 132343125 /nfs/dbraw/zinc/34/31/25/132343125.db2.gz WLXKMTXACMMUOK-GFCCVEGCSA-N 2 0 249.358 1.411 20 0 BDADRP CN1CC[C@@](O)(C[NH2+][C@H]2CCCC(C)(C)C2)C1 ZINC000336022143 134055770 /nfs/dbraw/zinc/05/57/70/134055770.db2.gz BPAXJBTVSAYDRD-GXTWGEPZSA-N 2 0 240.391 1.611 20 0 BDADRP CC(C)[N@@H+]1CCCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000336054937 134066121 /nfs/dbraw/zinc/06/61/21/134066121.db2.gz PPHOVGFBAKYFMH-AWEZNQCLSA-N 2 0 239.407 1.402 20 0 BDADRP CC[C@H](F)CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000336125081 134092620 /nfs/dbraw/zinc/09/26/20/134092620.db2.gz ZPOLEWSTYKDLMH-RYUDHWBXSA-N 2 0 214.328 1.762 20 0 BDADRP C(C1CC[NH2+]CC1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000336127013 134093524 /nfs/dbraw/zinc/09/35/24/134093524.db2.gz AFSUFJSFNPMQAV-UHFFFAOYSA-N 3 0 237.391 1.062 20 0 BDADRP Cc1nccn1CC[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000336130788 134094011 /nfs/dbraw/zinc/09/40/11/134094011.db2.gz GBIIFIDLIGBHMK-CYBMUJFWSA-N 2 0 249.358 1.571 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2ccncc2)C[C@@H]1C[NH3+] ZINC000167606723 134152900 /nfs/dbraw/zinc/15/29/00/134152900.db2.gz WENUFAAYZKWSAW-YPMHNXCESA-N 2 0 219.332 1.498 20 0 BDADRP CCN1C[C@H](C)[C@H]([NH2+]C[C@@H]2CCOC[C@H]2C)C1 ZINC000353042005 134159602 /nfs/dbraw/zinc/15/96/02/134159602.db2.gz ZHHVFDKSYXMYSU-RFQIPJPRSA-N 2 0 240.391 1.589 20 0 BDADRP OC1CCC([NH2+][C@@H]2CCN3CCCC[C@@H]23)CC1 ZINC000168915408 134248666 /nfs/dbraw/zinc/24/86/66/134248666.db2.gz XVVFDLHLVNCLAU-PQAZSJQKSA-N 2 0 238.375 1.506 20 0 BDADRP C[C@H](CC[NH3+])[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000220489852 134305294 /nfs/dbraw/zinc/30/52/94/134305294.db2.gz SCHVCAIEDIEYTA-SSDOTTSWSA-N 2 0 232.249 1.931 20 0 BDADRP COc1ccsc1C[NH2+][C@H](C)CC[NH3+] ZINC000220502336 134309237 /nfs/dbraw/zinc/30/92/37/134309237.db2.gz ZSGAYJCEAXDIKI-MRVPVSSYSA-N 2 0 214.334 1.584 20 0 BDADRP Cc1ccc(C[NH2+][C@@H](C)CC[NH3+])cc1F ZINC000220523386 134309610 /nfs/dbraw/zinc/30/96/10/134309610.db2.gz QMRBKRKWKZXHGP-JTQLQIEISA-N 2 0 210.296 1.961 20 0 BDADRP C[C@@H]1CCC[NH+]1CCOCC[N@H+]1CCC[C@@H]1C ZINC000178724361 134310360 /nfs/dbraw/zinc/31/03/60/134310360.db2.gz WCOXGXSWBAPZRY-OKILXGFUSA-N 2 0 240.391 1.972 20 0 BDADRP C[C@H]1COC[C@H](C)[NH+]1CC1CC[NH2+]CC1 ZINC000178974770 134313866 /nfs/dbraw/zinc/31/38/66/134313866.db2.gz IEBGETRPCQVODL-QWRGUYRKSA-N 2 0 212.337 1.095 20 0 BDADRP CCCC[N@H+](CCOC)CC1CC[NH2+]CC1 ZINC000178972736 134313891 /nfs/dbraw/zinc/31/38/91/134313891.db2.gz IKSYKCZVIGBUPK-UHFFFAOYSA-N 2 0 228.380 1.735 20 0 BDADRP COC1CC([NH2+]CCC[NH+]2CCC(C)CC2)C1 ZINC000220829055 134316037 /nfs/dbraw/zinc/31/60/37/134316037.db2.gz FBFDJRBGXYPUNO-UHFFFAOYSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)CCOCC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000222908397 134336040 /nfs/dbraw/zinc/33/60/40/134336040.db2.gz ZLPXPYNSUMJCRN-UONOGXRCSA-N 2 0 242.407 1.979 20 0 BDADRP CO[C@@H](C)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000182192177 134342313 /nfs/dbraw/zinc/34/23/13/134342313.db2.gz UCXHGHSCVIZLOD-UONOGXRCSA-N 2 0 240.391 1.829 20 0 BDADRP COC[C@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000227496221 134381229 /nfs/dbraw/zinc/38/12/29/134381229.db2.gz QLZHTNUYPRJVDH-NSHDSACASA-N 2 0 214.353 1.343 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000227497189 134381376 /nfs/dbraw/zinc/38/13/76/134381376.db2.gz PNOIJVHEIIPATD-VXGBXAGGSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@H](CCO)C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227541880 134382862 /nfs/dbraw/zinc/38/28/62/134382862.db2.gz DCFPZTTZLQIPGU-LERXQTSPSA-N 2 0 234.343 1.739 20 0 BDADRP COCC[C@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063197257 134396811 /nfs/dbraw/zinc/39/68/11/134396811.db2.gz CBLSLPZMYBFYII-JSGCOSHPSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1CCSC1 ZINC000049551860 134633951 /nfs/dbraw/zinc/63/39/51/134633951.db2.gz GSXFHLSOXLIOQA-VHSXEESVSA-N 2 0 202.367 1.422 20 0 BDADRP C[C@H](O)CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062034416 134806302 /nfs/dbraw/zinc/80/63/02/134806302.db2.gz NFQGOAGKOYYOTJ-ZDUSSCGKSA-N 2 0 240.391 1.565 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CC[C@@H](C)O2)C1 ZINC000248987378 135029541 /nfs/dbraw/zinc/02/95/41/135029541.db2.gz XBAZIKGNRDDGIH-RDBSUJKOSA-N 2 0 240.391 1.828 20 0 BDADRP CO[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000249055883 135031107 /nfs/dbraw/zinc/03/11/07/135031107.db2.gz YQAAZWZEBVJQNX-WYTNZGFTSA-N 2 0 238.375 1.769 20 0 BDADRP COC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000250456038 135055178 /nfs/dbraw/zinc/05/51/78/135055178.db2.gz IKABRSCPQHLURP-RDBSUJKOSA-N 2 0 238.375 1.628 20 0 BDADRP Cc1ncsc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000086404149 135083413 /nfs/dbraw/zinc/08/34/13/135083413.db2.gz JSGQWKDHEXOSAA-VHSXEESVSA-N 2 0 225.361 1.811 20 0 BDADRP C[C@@H]1c2ccsc2CC[N@H+]1CCOCC[NH3+] ZINC000086435566 135084131 /nfs/dbraw/zinc/08/41/31/135084131.db2.gz MEDRGRRPUUAQLI-SNVBAGLBSA-N 2 0 240.372 1.643 20 0 BDADRP Cc1ccc(C[N@H+](C)CCOCC[NH3+])cc1 ZINC000086435364 135084736 /nfs/dbraw/zinc/08/47/36/135084736.db2.gz XSUXVZXIONLUKH-UHFFFAOYSA-N 2 0 222.332 1.402 20 0 BDADRP CC(C)[C@H]1CCC[N@H+](CCOCC[NH3+])CC1 ZINC000086435846 135084840 /nfs/dbraw/zinc/08/48/40/135084840.db2.gz UUDMCUOXMUCBKN-ZDUSSCGKSA-N 2 0 228.380 1.720 20 0 BDADRP CC[C@H](CO)[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000086500772 135087503 /nfs/dbraw/zinc/08/75/03/135087503.db2.gz QTRHBJHFRCLFQJ-UPJWGTAASA-N 2 0 228.380 1.658 20 0 BDADRP CCOCC[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000086500997 135087627 /nfs/dbraw/zinc/08/76/27/135087627.db2.gz KKRXMIXOWUASTG-QWHCGFSZSA-N 2 0 228.380 1.923 20 0 BDADRP COCCCC[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251888205 135094244 /nfs/dbraw/zinc/09/42/44/135094244.db2.gz VICKWRAWTYSDCB-GHMZBOCLSA-N 2 0 200.326 1.082 20 0 BDADRP CC[C@H](O)CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000252708496 135098296 /nfs/dbraw/zinc/09/82/96/135098296.db2.gz AFWZLSSTASYXDS-FVCCEPFGSA-N 2 0 228.380 1.466 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCSCCCO ZINC000252711360 135099633 /nfs/dbraw/zinc/09/96/33/135099633.db2.gz JINLJPYSDZXLFT-VXGBXAGGSA-N 2 0 246.420 1.032 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C)[C@@H](C)C1 ZINC000252712319 135100950 /nfs/dbraw/zinc/10/09/50/135100950.db2.gz MBVIMNSXNKLOCU-VOAKCMCISA-N 2 0 210.365 1.962 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H](C)[C@H](C)O)CC1 ZINC000087128991 135107141 /nfs/dbraw/zinc/10/71/41/135107141.db2.gz HIXTZXJSBQGDNL-MNOVXSKESA-N 2 0 214.353 1.220 20 0 BDADRP CN1CC[C@@H]([NH2+]C[C@H]2CCOc3ccccc32)C1 ZINC000252748565 135107204 /nfs/dbraw/zinc/10/72/04/135107204.db2.gz UDFBHFBJQJHJEK-CHWSQXEVSA-N 2 0 246.354 1.846 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000252768518 135108101 /nfs/dbraw/zinc/10/81/01/135108101.db2.gz RWLBRHLFSADBKK-YFKTTZPYSA-N 2 0 214.353 1.253 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)CC[C@H]1O ZINC000253176298 135123231 /nfs/dbraw/zinc/12/32/31/135123231.db2.gz FZFDCGUSCCKSTC-HZSPNIEDSA-N 2 0 240.391 1.564 20 0 BDADRP CN(C[C@@H]1CCC[NH2+]C1)C[C@@H]1CCC[N@H+](C)C1 ZINC000258945238 135136091 /nfs/dbraw/zinc/13/60/91/135136091.db2.gz IEVYYTKYJDFZBR-ZIAGYGMSSA-N 2 0 239.407 1.260 20 0 BDADRP Cc1[nH+]ccc(N[C@@H]2CC[NH2+]C2)c1Cl ZINC000261527359 135150719 /nfs/dbraw/zinc/15/07/19/135150719.db2.gz AASLHYPTYOZWGN-MRVPVSSYSA-N 2 0 211.696 1.817 20 0 BDADRP CC(C)SCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000261527405 135151890 /nfs/dbraw/zinc/15/18/90/135151890.db2.gz AUCNTZVSKBYIFJ-MNOVXSKESA-N 2 0 216.394 1.845 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccsc1 ZINC000261529146 135154835 /nfs/dbraw/zinc/15/48/35/135154835.db2.gz PJKIYYLGGUBRHH-KOLCDFICSA-N 2 0 210.346 1.836 20 0 BDADRP C(C1CCC1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261529040 135155349 /nfs/dbraw/zinc/15/53/49/135155349.db2.gz ADTMSKWEAIJHBJ-UHFFFAOYSA-N 2 0 208.349 1.862 20 0 BDADRP COCC(C)(C)C[NH+]1CCC([NH3+])CC1 ZINC000261529748 135156307 /nfs/dbraw/zinc/15/63/07/135156307.db2.gz UZJGODHIFMEMSU-UHFFFAOYSA-N 2 0 200.326 1.082 20 0 BDADRP Cc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cn1 ZINC000087647173 135160834 /nfs/dbraw/zinc/16/08/34/135160834.db2.gz UHYQBLUSRNFOOW-GFCCVEGCSA-N 2 0 219.332 1.479 20 0 BDADRP CC(C)OCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261531675 135160917 /nfs/dbraw/zinc/16/09/17/135160917.db2.gz HLQRBYTZUPEIBU-NEPJUHHUSA-N 2 0 212.337 1.095 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@@H]3CCSC3)C[C@@H]12 ZINC000261532769 135163073 /nfs/dbraw/zinc/16/30/73/135163073.db2.gz KDBJUIBLSMESAE-IRCOFANPSA-N 2 0 226.389 1.409 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@H]1CCC[NH2+]CC1 ZINC000261533035 135164300 /nfs/dbraw/zinc/16/43/00/135164300.db2.gz GCQKIHNQGSZSPC-STQMWFEESA-N 2 0 227.396 1.448 20 0 BDADRP CCc1cc(N2C[C@@H](C)[C@H]([NH3+])C2)nc(C)n1 ZINC000261534304 135166727 /nfs/dbraw/zinc/16/67/27/135166727.db2.gz PQSIJCPODBCSFB-LDYMZIIASA-N 2 0 220.320 1.131 20 0 BDADRP CC1(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)CCC1 ZINC000261534694 135167525 /nfs/dbraw/zinc/16/75/25/135167525.db2.gz MXSSEKWTNDCVIZ-VXGBXAGGSA-N 2 0 208.349 1.860 20 0 BDADRP COC[C@@H]1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261535248 135169687 /nfs/dbraw/zinc/16/96/87/135169687.db2.gz XGIVGZHYCHZQTP-CHWSQXEVSA-N 2 0 226.364 1.344 20 0 BDADRP CC[N@H+](CCN[C@H]1CCC[C@H]1C[NH3+])C1CC1 ZINC000261535250 135169894 /nfs/dbraw/zinc/16/98/94/135169894.db2.gz XGKPLESKBAKPOU-AAEUAGOBSA-N 2 0 225.380 1.188 20 0 BDADRP COCC(C)(C)C[NH2+]C1CCC([NH3+])CC1 ZINC000261537015 135172672 /nfs/dbraw/zinc/17/26/72/135172672.db2.gz UOYJZTYSBXAPQO-UHFFFAOYSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@H]1C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C[C@H]1C ZINC000261537172 135173784 /nfs/dbraw/zinc/17/37/84/135173784.db2.gz VBXVUKZKLBGDIC-YVECIDJPSA-N 2 0 210.365 1.962 20 0 BDADRP CO[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CC[C@@H]1C ZINC000261539752 135178441 /nfs/dbraw/zinc/17/84/41/135178441.db2.gz BLCNNEUYHAWRPF-REWJHTLYSA-N 2 0 240.391 1.731 20 0 BDADRP CC[N@H+](CCN[C@H]1CCCC[C@H]1C[NH3+])C1CC1 ZINC000261540307 135179194 /nfs/dbraw/zinc/17/91/94/135179194.db2.gz FVYIOZKBMGZLHN-JSGCOSHPSA-N 2 0 239.407 1.578 20 0 BDADRP CO[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CC[C@H]1C ZINC000261541020 135181223 /nfs/dbraw/zinc/18/12/23/135181223.db2.gz IPJYECXBWVABDI-MGPQQGTHSA-N 2 0 240.391 1.733 20 0 BDADRP COC[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000261543238 135183826 /nfs/dbraw/zinc/18/38/26/135183826.db2.gz RYLBSQSQVIDPHS-HZSPNIEDSA-N 2 0 240.391 1.733 20 0 BDADRP CCOC(=O)C1CCC([NH2+][C@@H](C)[C@H](C)[NH3+])CC1 ZINC000261544613 135186042 /nfs/dbraw/zinc/18/60/42/135186042.db2.gz DZFBDTDUJYZUDV-JYBOHDQNSA-N 2 0 242.363 1.434 20 0 BDADRP C[C@@H]1CCSCC[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261544522 135186239 /nfs/dbraw/zinc/18/62/39/135186239.db2.gz IYRKAOYZBPUQBP-NEPJUHHUSA-N 2 0 228.405 1.813 20 0 BDADRP CCC1(C[N@@H+]2CC[C@@H](C[NH2+]C)C2)CCOCC1 ZINC000261552281 135190991 /nfs/dbraw/zinc/19/09/91/135190991.db2.gz MVTZNLHRQVTHEL-ZDUSSCGKSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@H](CN[C@@H]1CCCC[C@@H]1C[NH3+])[NH+](C)C ZINC000084216332 135192134 /nfs/dbraw/zinc/19/21/34/135192134.db2.gz QOVAJCCYEFRQNU-IJLUTSLNSA-N 2 0 213.369 1.044 20 0 BDADRP CC(C)CCOCC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000084221196 135193331 /nfs/dbraw/zinc/19/33/31/135193331.db2.gz DNFFLKNMIQHJKZ-STQMWFEESA-N 2 0 228.380 1.766 20 0 BDADRP C[C@@H]1C[C@@H]1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261554205 135193807 /nfs/dbraw/zinc/19/38/07/135193807.db2.gz UAYHTNAICXZIKO-VXGBXAGGSA-N 2 0 208.349 1.718 20 0 BDADRP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cn1 ZINC000261560166 135200760 /nfs/dbraw/zinc/20/07/60/135200760.db2.gz UGYPXYMGCCGBDF-IHRRRGAJSA-N 2 0 231.343 1.559 20 0 BDADRP C[C@@H]1C[C@@H]1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000261561238 135202673 /nfs/dbraw/zinc/20/26/73/135202673.db2.gz ANEJQRARWDNMBO-NZEXEKPDSA-N 2 0 208.349 1.702 20 0 BDADRP Oc1cccc(CN2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261562182 135203952 /nfs/dbraw/zinc/20/39/52/135203952.db2.gz WATMDOKBIRQXSW-GXTWGEPZSA-N 2 0 232.327 1.576 20 0 BDADRP [NH3+]C[C@@H]1CCCCN1CCOCC1CC1 ZINC000261562557 135204683 /nfs/dbraw/zinc/20/46/83/135204683.db2.gz BJQRAUUUIRXMKA-LBPRGKRZSA-N 2 0 212.337 1.226 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](CO)C1 ZINC000261564139 135205880 /nfs/dbraw/zinc/20/58/80/135205880.db2.gz XNCGGGYEBSGQIF-RQJABVFESA-N 2 0 240.391 1.645 20 0 BDADRP Cc1nc(C)c(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)s1 ZINC000261564797 135206812 /nfs/dbraw/zinc/20/68/12/135206812.db2.gz CSAKKLIETVKQLK-LBPRGKRZSA-N 2 0 239.388 1.931 20 0 BDADRP CC(C)[C@](C)(C[NH3+])[NH2+]CCOCC1CC1 ZINC000261567548 135209836 /nfs/dbraw/zinc/20/98/36/135209836.db2.gz DZEVXZATWWZFSN-LBPRGKRZSA-N 2 0 214.353 1.376 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCOCC1 ZINC000261568429 135210742 /nfs/dbraw/zinc/21/07/42/135210742.db2.gz FPHHKUPJVOQIHW-RWMBFGLXSA-N 2 0 226.364 1.663 20 0 BDADRP Cc1ncsc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261571315 135212796 /nfs/dbraw/zinc/21/27/96/135212796.db2.gz HKSHJJNZBBGMAH-DCAQKATOSA-N 2 0 237.372 1.621 20 0 BDADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1cn[nH]c1 ZINC000261573840 135216045 /nfs/dbraw/zinc/21/60/45/135216045.db2.gz IZYMRRLVZRNZIU-NHCYSSNCSA-N 2 0 222.336 1.578 20 0 BDADRP Cc1ccc(O)c(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)n1 ZINC000261576534 135217533 /nfs/dbraw/zinc/21/75/33/135217533.db2.gz NSFGAICTQJHRCZ-RYUDHWBXSA-N 2 0 247.342 1.279 20 0 BDADRP C[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000084384445 135218186 /nfs/dbraw/zinc/21/81/86/135218186.db2.gz WJPBEEFZFZURDJ-TUAOUCFPSA-N 2 0 212.337 1.095 20 0 BDADRP Cc1cc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc[nH+]1 ZINC000261578852 135220074 /nfs/dbraw/zinc/22/00/74/135220074.db2.gz LWUNCMNMAZKSKD-AAEUAGOBSA-N 2 0 217.316 1.578 20 0 BDADRP Cc1ncccc1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000261580660 135221381 /nfs/dbraw/zinc/22/13/81/135221381.db2.gz NBIQFEDYPOCWMC-PWSUYJOCSA-N 2 0 219.332 1.559 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1cnn(C)c1 ZINC000261586727 135227804 /nfs/dbraw/zinc/22/78/04/135227804.db2.gz RJZYVCGZEQMFLK-DLOVCJGASA-N 2 0 222.336 1.341 20 0 BDADRP Cc1ncccc1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000261587928 135228175 /nfs/dbraw/zinc/22/81/75/135228175.db2.gz RYUNGSWYDMZDAM-JQWIXIFHSA-N 2 0 219.332 1.559 20 0 BDADRP c1ccc(OCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261587391 135228604 /nfs/dbraw/zinc/22/86/04/135228604.db2.gz UZVBSVJFEJNJJT-KBPBESRZSA-N 2 0 246.354 1.607 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCC1CCOCC1 ZINC000261592023 135232764 /nfs/dbraw/zinc/23/27/64/135232764.db2.gz VRJOJFSEFVCFKC-CHWSQXEVSA-N 2 0 226.364 1.520 20 0 BDADRP Cc1c[nH+]ccc1N1CC[C@]2(CC[NH2+]C2)C1 ZINC000261592042 135232874 /nfs/dbraw/zinc/23/28/74/135232874.db2.gz VRUPRVYQHHVPEI-ZDUSSCGKSA-N 2 0 217.316 1.580 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000261593582 135234529 /nfs/dbraw/zinc/23/45/29/135234529.db2.gz WYHCBKHEUUYBEP-NWDGAFQWSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@]1(C[NH3+])CC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000261596169 135235626 /nfs/dbraw/zinc/23/56/26/135235626.db2.gz YOVHKFXWZPGIFH-NEPJUHHUSA-N 2 0 212.337 1.084 20 0 BDADRP Cc1nc(C)c(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)s1 ZINC000261596309 135236228 /nfs/dbraw/zinc/23/62/28/135236228.db2.gz YRYHIHWCWMLJAQ-KCJUWKMLSA-N 2 0 239.388 1.848 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC[C@H]1CCOC1 ZINC000261598026 135236647 /nfs/dbraw/zinc/23/66/47/135236647.db2.gz ZIQAQOVCWOCWCQ-WOPDTQHZSA-N 2 0 212.337 1.082 20 0 BDADRP Cc1nc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cs1 ZINC000261598408 135236939 /nfs/dbraw/zinc/23/69/39/135236939.db2.gz ZMXLVMFALZEULS-DLOVCJGASA-N 2 0 237.372 1.621 20 0 BDADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000261546567 135238861 /nfs/dbraw/zinc/23/88/61/135238861.db2.gz HAGOYBDCLXCZLJ-IACUBPJLSA-N 2 0 234.318 1.995 20 0 BDADRP C[C@@H](C[N@H+](C)Cc1ccccc1)N[C@H]1CC[NH2+]C1 ZINC000261547177 135239998 /nfs/dbraw/zinc/23/99/98/135239998.db2.gz LZCJRMHMIYKEGF-ZFWWWQNUSA-N 2 0 247.386 1.458 20 0 BDADRP C[C@@H]1CN(C[C@]2(C)CC[NH2+]C2)C[C@H](C2CC2)O1 ZINC000261734706 135248958 /nfs/dbraw/zinc/24/89/58/135248958.db2.gz HPNGHVSAAIGICJ-MRVWCRGKSA-N 2 0 238.375 1.485 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+]C1CCOCC1 ZINC000164422635 135252016 /nfs/dbraw/zinc/25/20/16/135252016.db2.gz SCXIUNAOSGRTSS-UHFFFAOYSA-N 2 0 214.353 1.485 20 0 BDADRP COC(=O)C[C@H]1CCC[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261879623 135259226 /nfs/dbraw/zinc/25/92/26/135259226.db2.gz QREZMKGUZROSEW-YPMHNXCESA-N 2 0 240.347 1.014 20 0 BDADRP CC(C)([NH3+])CN(CCO)Cc1cccc(F)c1 ZINC000261880849 135259600 /nfs/dbraw/zinc/25/96/00/135259600.db2.gz WJSMVVMATPODRN-UHFFFAOYSA-N 2 0 240.322 1.357 20 0 BDADRP CCc1nc(C[NH2+]CC[C@H]2CC[NH2+]C2)cs1 ZINC000261893418 135260817 /nfs/dbraw/zinc/26/08/17/135260817.db2.gz AKWQNWPAFSUNIQ-SNVBAGLBSA-N 2 0 239.388 1.795 20 0 BDADRP COCC(C)(C)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000261924070 135263396 /nfs/dbraw/zinc/26/33/96/135263396.db2.gz KUTPJNPWLQDBKU-RWMBFGLXSA-N 2 0 240.391 1.718 20 0 BDADRP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)[C@@H](C)[C@H](C)O1 ZINC000261921902 135263466 /nfs/dbraw/zinc/26/34/66/135263466.db2.gz KPMAJPRVFJVTON-WOPDTQHZSA-N 2 0 226.364 1.484 20 0 BDADRP C[NH2+]CC1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000261943987 135265400 /nfs/dbraw/zinc/26/54/00/135265400.db2.gz NDPZSMCDCSUSTG-ZDUSSCGKSA-N 2 0 226.364 1.344 20 0 BDADRP COCC(C)(C)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261956364 135266468 /nfs/dbraw/zinc/26/64/68/135266468.db2.gz OSVPZATYNBMPKC-QJPTWQEYSA-N 2 0 226.364 1.328 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000262408694 135295643 /nfs/dbraw/zinc/29/56/43/135295643.db2.gz CJRUYJVGTDAJQU-QWHCGFSZSA-N 2 0 249.358 1.320 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000342752432 135311430 /nfs/dbraw/zinc/31/14/30/135311430.db2.gz OVDAUHUMQALNDG-OLZOCXBDSA-N 2 0 241.379 1.010 20 0 BDADRP C[C@@H]1[NH2+]CCN(C(=O)CCCCCC[NH3+])[C@H]1C ZINC000262698007 135314400 /nfs/dbraw/zinc/31/44/00/135314400.db2.gz AEFLDIMOWPKAAC-RYUDHWBXSA-N 2 0 241.379 1.104 20 0 BDADRP Cc1cnc(CN2CC[C@@H]3CC[N@H+](C)C[C@@H]32)n1C ZINC000342779099 135317677 /nfs/dbraw/zinc/31/76/77/135317677.db2.gz OLPGLMBUTMRGEA-STQMWFEESA-N 2 0 248.374 1.255 20 0 BDADRP [NH3+]CCN1CCC([C@H](O)c2ccccc2)CC1 ZINC000262964339 135324690 /nfs/dbraw/zinc/32/46/90/135324690.db2.gz LBMPPNLUDVATON-CQSZACIVSA-N 2 0 234.343 1.391 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000334277254 135333640 /nfs/dbraw/zinc/33/36/40/135333640.db2.gz SQSCNCVZYFUSFP-WCQYABFASA-N 2 0 225.380 1.045 20 0 BDADRP C[C@H]1CN(C)CCN1c1ccncc1Cl ZINC000334338576 135356939 /nfs/dbraw/zinc/35/69/39/135356939.db2.gz YSNSQDQEBXDWBP-VIFPVBQESA-N 2 0 225.723 1.875 20 0 BDADRP CCC[N@H+](CCOCC[NH3+])Cc1ccccc1 ZINC000306776492 135378636 /nfs/dbraw/zinc/37/86/36/135378636.db2.gz YXSXCCBOZLTZOG-UHFFFAOYSA-N 2 0 236.359 1.874 20 0 BDADRP c1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c[nH]1 ZINC000080773801 135384856 /nfs/dbraw/zinc/38/48/56/135384856.db2.gz KZXYKJJOJGOHSW-LBPRGKRZSA-N 2 0 219.332 1.589 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000334853578 135824174 /nfs/dbraw/zinc/82/41/74/135824174.db2.gz DTBQVMNIYBOVLG-MFKMUULPSA-N 2 0 244.342 1.651 20 0 BDADRP CC1(C)CCC[NH2+][C@H]1CNC1CC[NH2+]CC1 ZINC000334862218 135826325 /nfs/dbraw/zinc/82/63/25/135826325.db2.gz JCEVUZOKSKNVFQ-LBPRGKRZSA-N 2 0 225.380 1.106 20 0 BDADRP CC(C)(C)[NH+]1CCC(N[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000335056185 135874697 /nfs/dbraw/zinc/87/46/97/135874697.db2.gz CWZASFKOHPUKPO-CHWSQXEVSA-N 2 0 239.407 1.719 20 0 BDADRP CCCC[N@H+](CCO)CC[C@H]1CCC[NH+]1C ZINC000348080874 136034303 /nfs/dbraw/zinc/03/43/03/136034303.db2.gz NGWXKVHZGYPDON-CYBMUJFWSA-N 2 0 228.380 1.565 20 0 BDADRP CC[C@H]1CC[C@@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000348107146 136037063 /nfs/dbraw/zinc/03/70/63/136037063.db2.gz VBFZRMPRCFBXGR-KBPBESRZSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@H]([NH3+])C[NH2+][C@H]1CCCC12CCOCC2 ZINC000335397727 136093212 /nfs/dbraw/zinc/09/32/12/136093212.db2.gz WHRBRKDDZTVLJU-QWRGUYRKSA-N 2 0 212.337 1.273 20 0 BDADRP CSCC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000335571589 136109992 /nfs/dbraw/zinc/10/99/92/136109992.db2.gz MKXMYUDVHFZZHI-LLVKDONJSA-N 2 0 214.378 1.377 20 0 BDADRP C[NH+](C)CCCC[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000390400118 397888879 /nfs/dbraw/zinc/88/88/79/397888879.db2.gz SZAHTHPOAMUPNQ-CLLJXQQHSA-N 2 0 210.365 1.964 20 0 BDADRP COCC[C@@H](C)[NH2+]CCC[N@H+](C)CC(C)C ZINC000650130471 397938182 /nfs/dbraw/zinc/93/81/82/397938182.db2.gz WWJZTXJOLZVYER-CYBMUJFWSA-N 2 0 230.396 1.979 20 0 BDADRP CN(C[C@H]1CCC[N@@H+]1C)C[C@@H]1CCC[NH+]1C ZINC000649631693 398013650 /nfs/dbraw/zinc/01/36/50/398013650.db2.gz JQICBAPNVRHUMC-BETUJISGSA-N 2 0 225.380 1.107 20 0 BDADRP [NH3+]CCC[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000414689080 398018917 /nfs/dbraw/zinc/01/89/17/398018917.db2.gz FOCJDYAKEQMXSO-CYBMUJFWSA-N 2 0 219.332 1.522 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CC[N@H+](C)CC[C@@H]1C ZINC000414690017 398019929 /nfs/dbraw/zinc/01/99/29/398019929.db2.gz HFLVHVMSLWPQMG-QWHCGFSZSA-N 2 0 227.396 1.386 20 0 BDADRP CC(C)(C)[NH2+]CCN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000414765014 398028450 /nfs/dbraw/zinc/02/84/50/398028450.db2.gz FNOGAFQYEDNAMU-NWDGAFQWSA-N 2 0 225.380 1.058 20 0 BDADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C[C@H]1CC[NH2+]C1 ZINC000382753124 397972328 /nfs/dbraw/zinc/97/23/28/397972328.db2.gz IYBGZFSBZMPRGT-KBPBESRZSA-N 2 0 239.407 1.402 20 0 BDADRP CCc1ccc(C[NH+]2CCC(O)(C[NH3+])CC2)cc1 ZINC000071563557 397975545 /nfs/dbraw/zinc/97/55/45/397975545.db2.gz OIMKSCMBSIKWJK-UHFFFAOYSA-N 2 0 248.370 1.535 20 0 BDADRP CC[C@H](C)C[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000185866580 398092517 /nfs/dbraw/zinc/09/25/17/398092517.db2.gz OINWVSQZASCBRK-KBPBESRZSA-N 2 0 241.423 1.648 20 0 BDADRP C[C@H](C[N@@H+]1CCO[C@H](C[NH3+])C1)C(C)(C)C ZINC000389323122 398074037 /nfs/dbraw/zinc/07/40/37/398074037.db2.gz CYCNEVRSLBAATJ-GHMZBOCLSA-N 2 0 214.353 1.328 20 0 BDADRP CC[N@H+](CCn1ccnc1C)[C@H]1CCCOC1 ZINC000649755694 398086516 /nfs/dbraw/zinc/08/65/16/398086516.db2.gz VCGBPXRKAZDNHI-ZDUSSCGKSA-N 2 0 237.347 1.692 20 0 BDADRP CC[N@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1CCCOC1 ZINC000649755867 398087171 /nfs/dbraw/zinc/08/71/71/398087171.db2.gz ZTPSSDOQJDDDEZ-ZIAGYGMSSA-N 2 0 240.391 1.972 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000054240514 398101270 /nfs/dbraw/zinc/10/12/70/398101270.db2.gz VJVBERHVIUGXPA-YPMHNXCESA-N 2 0 226.364 1.485 20 0 BDADRP C[NH+]1CCC(C[NH2+]C[C@H]2CCCOC2)CC1 ZINC000054243343 398101314 /nfs/dbraw/zinc/10/13/14/398101314.db2.gz VBFUQTDEHUZLCC-CYBMUJFWSA-N 2 0 226.364 1.344 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000384711457 398103236 /nfs/dbraw/zinc/10/32/36/398103236.db2.gz GKZAHRRNLAQORW-NAWOPXAZSA-N 2 0 226.364 1.673 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)[C@@H](C)O1 ZINC000384735919 398103771 /nfs/dbraw/zinc/10/37/71/398103771.db2.gz KPXOWCSAPUFSEB-OOCWMUITSA-N 2 0 212.337 1.412 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCCO1 ZINC000245906138 398118792 /nfs/dbraw/zinc/11/87/92/398118792.db2.gz BAVRBHCOWLQPJT-HZSPNIEDSA-N 2 0 238.375 1.772 20 0 BDADRP C[C@H](CC[NH+](C)C)N[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400515814 398119166 /nfs/dbraw/zinc/11/91/66/398119166.db2.gz MYVDPHLNIOTCHM-UTUOFQBUSA-N 2 0 213.369 1.057 20 0 BDADRP CCC(O)(CC)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000245907603 398119491 /nfs/dbraw/zinc/11/94/91/398119491.db2.gz BKWOOHWOWJEPAX-OLZOCXBDSA-N 2 0 240.391 1.754 20 0 BDADRP COCC(C)(C)C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414948260 398121858 /nfs/dbraw/zinc/12/18/58/398121858.db2.gz LYHVJAXHLXMOIQ-WDEREUQCSA-N 2 0 214.353 1.389 20 0 BDADRP CC(C)NC(=O)CC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000228332340 167043931 /nfs/dbraw/zinc/04/39/31/167043931.db2.gz IEDZLQPEHCUIGZ-NEPJUHHUSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CCOC(F)(F)F ZINC000398257329 322867773 /nfs/dbraw/zinc/86/77/73/322867773.db2.gz QZSUQDOZWDAKPU-QMMMGPOBSA-N 2 0 228.258 1.630 20 0 BDADRP C[NH+]1CCC(CC[NH2+][C@H]2CCC[C@H]2[NH3+])CC1 ZINC000258801008 322876166 /nfs/dbraw/zinc/87/61/66/322876166.db2.gz CECKVSZIMPOKOY-OLZOCXBDSA-N 3 0 225.380 1.188 20 0 BDADRP CCOc1ccc(C[NH2+]C[C@H](C)C[NH3+])cc1 ZINC000258799960 322876170 /nfs/dbraw/zinc/87/61/70/322876170.db2.gz REHJBYMXMSRQDM-LLVKDONJSA-N 2 0 222.332 1.770 20 0 BDADRP CC(C)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000040770148 167113344 /nfs/dbraw/zinc/11/33/44/167113344.db2.gz NZMVZQNYMVIUJH-CYBMUJFWSA-N 2 0 227.396 1.256 20 0 BDADRP Cc1n[nH]c(C)c1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000334845205 487572576 /nfs/dbraw/zinc/57/25/76/487572576.db2.gz JQYUGJDQUSISPH-MNOVXSKESA-N 2 0 222.336 1.386 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H]2CCCC[C@@H]2O)C1 ZINC000383099282 487586439 /nfs/dbraw/zinc/58/64/39/487586439.db2.gz ZOELDUUMQACSGO-CRWXNKLISA-N 2 0 240.391 1.597 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCC[NH+](C)C)CS1 ZINC000086934337 487589589 /nfs/dbraw/zinc/58/95/89/487589589.db2.gz LGSGIEANCIUBLH-UWVGGRQHSA-N 2 0 202.367 1.422 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)CS1 ZINC000086935660 487593522 /nfs/dbraw/zinc/59/35/22/487593522.db2.gz ZVFBKKYLJKXTAH-ZYHUDNBSSA-N 2 0 228.405 1.812 20 0 BDADRP OC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnc2n1CCC2 ZINC000667495396 487594068 /nfs/dbraw/zinc/59/40/68/487594068.db2.gz HOOGBCCKAZFNFJ-QYJAPNMZSA-N 2 0 247.342 1.317 20 0 BDADRP CCc1nocc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000662265863 409565603 /nfs/dbraw/zinc/56/56/03/409565603.db2.gz JGGAWVQUMNDPHF-WCFLWFBJSA-N 2 0 249.358 1.796 20 0 BDADRP C[C@@](C[NH3+])([NH2+]CCOCc1ccccc1)C1CC1 ZINC000662247906 409543808 /nfs/dbraw/zinc/54/38/08/409543808.db2.gz OLIZSVIPSLPTMC-HNNXBMFYSA-N 2 0 248.370 1.920 20 0 BDADRP C[C@@H]1CC[C@@H](C)[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662253735 409552410 /nfs/dbraw/zinc/55/24/10/409552410.db2.gz CAMVOEVSNSBECC-JHJVBQTASA-N 2 0 238.375 1.628 20 0 BDADRP C[NH+](C)CCC[C@@H]1C[N@H+](CCCCF)CCO1 ZINC000662324850 409639146 /nfs/dbraw/zinc/63/91/46/409639146.db2.gz ZDGJBWIJYCOJMF-CYBMUJFWSA-N 2 0 246.370 1.779 20 0 BDADRP C1=CCC(C[N@@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)C1 ZINC000662276424 409588937 /nfs/dbraw/zinc/58/89/37/409588937.db2.gz MMAWBWSWTWUAAM-STQMWFEESA-N 2 0 206.333 1.636 20 0 BDADRP C1=CCC(C[N@@H+]2CC[C@H]3CC[NH2+][C@H]3C2)C1 ZINC000662276420 409590064 /nfs/dbraw/zinc/59/00/64/409590064.db2.gz MMAWBWSWTWUAAM-OLZOCXBDSA-N 2 0 206.333 1.636 20 0 BDADRP CC(C)=CCC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000662277479 409593581 /nfs/dbraw/zinc/59/35/81/409593581.db2.gz VFJDVQNBMKEIJG-AWEZNQCLSA-N 2 0 237.391 1.322 20 0 BDADRP CC[C@@H]([NH2+]C)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000662342981 409656044 /nfs/dbraw/zinc/65/60/44/409656044.db2.gz HIVRNSHKTFZWML-GFCCVEGCSA-N 2 0 243.395 1.219 20 0 BDADRP CC(C)C[N@H+](C)CCCNC(=O)CC[C@H](C)[NH3+] ZINC000653176623 410152262 /nfs/dbraw/zinc/15/22/62/410152262.db2.gz ZTXWYNKWNMTOGZ-LBPRGKRZSA-N 2 0 243.395 1.208 20 0 BDADRP [NH3+]Cc1cccc(NC(=O)CC[NH2+]C2CC2)c1 ZINC000655411822 410216173 /nfs/dbraw/zinc/21/61/73/410216173.db2.gz XRTWTHJSSMZMGP-UHFFFAOYSA-N 2 0 233.315 1.226 20 0 BDADRP C[NH2+]CCCC(=O)NCc1ccccc1C[NH2+]C ZINC000653211374 410165903 /nfs/dbraw/zinc/16/59/03/410165903.db2.gz WFFNVPMTSOKAMV-UHFFFAOYSA-N 2 0 249.358 1.022 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000663501599 410277503 /nfs/dbraw/zinc/27/75/03/410277503.db2.gz ABGLBLSBAJOEGJ-FRRDWIJNSA-N 2 0 227.396 1.480 20 0 BDADRP CC[NH+]1CCC(NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000663503409 410277977 /nfs/dbraw/zinc/27/79/77/410277977.db2.gz RJHGWAVLXHQBET-CYBMUJFWSA-N 2 0 227.396 1.434 20 0 BDADRP NC(=O)c1cccc(C[NH2+]CCC2(C[NH3+])CC2)c1 ZINC000650712512 410341435 /nfs/dbraw/zinc/34/14/35/410341435.db2.gz HIEVRZUTZCAWJH-UHFFFAOYSA-N 2 0 247.342 1.004 20 0 BDADRP [NH3+]CC1(CC[NH2+]CC[C@@H]2CCOC2)CC1 ZINC000650714214 410348766 /nfs/dbraw/zinc/34/87/66/410348766.db2.gz WEWGMVAQPDHXIJ-LLVKDONJSA-N 2 0 212.337 1.132 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+]CC1(F)CC1 ZINC000650719978 410357620 /nfs/dbraw/zinc/35/76/20/410357620.db2.gz BFGMCNVJPOPBNF-UHFFFAOYSA-N 2 0 222.307 1.998 20 0 BDADRP FC1(F)C[C@]12CC[N@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000650725325 410363911 /nfs/dbraw/zinc/36/39/11/410363911.db2.gz YJTIKALRTMHOKO-MNOVXSKESA-N 2 0 230.302 1.717 20 0 BDADRP CC(C)C[N@H+](C)CCCN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000650739963 410371679 /nfs/dbraw/zinc/37/16/79/410371679.db2.gz CQNXRJFCWNLSTL-ZIAGYGMSSA-N 2 0 241.423 1.694 20 0 BDADRP CC(C)C[N@H+](C)CCCN[C@@H](C)C[C@H](C)[NH3+] ZINC000650740729 410375532 /nfs/dbraw/zinc/37/55/32/410375532.db2.gz PIVPCNOKKQGYGI-STQMWFEESA-N 2 0 229.412 1.680 20 0 BDADRP C1C[C@@H]2O[C@H]1C[C@H]2[NH2+][C@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000650742806 410378654 /nfs/dbraw/zinc/37/86/54/410378654.db2.gz DUZDEMNLRHYTDP-WNWFYDSVSA-N 2 0 236.359 1.284 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CNc2ccccc2C1 ZINC000650747464 410387156 /nfs/dbraw/zinc/38/71/56/410387156.db2.gz AKGHBJDWZDZHAG-LOWVWBTDSA-N 2 0 233.359 1.739 20 0 BDADRP [NH3+]CC1(CC[NH2+]C2CCN(C3CC3)CC2)CC1 ZINC000650747713 410387285 /nfs/dbraw/zinc/38/72/85/410387285.db2.gz GFWRFWMGVIBOIO-UHFFFAOYSA-N 2 0 237.391 1.332 20 0 BDADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccn(C)n1 ZINC000650761509 410408905 /nfs/dbraw/zinc/40/89/05/410408905.db2.gz AQWYKTQTBIKDPZ-NSHDSACASA-N 2 0 236.363 1.460 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CCC1CC[NH2+]CC1 ZINC000650761489 410409146 /nfs/dbraw/zinc/40/91/46/410409146.db2.gz AHJSEQNVVPCSDS-LBPRGKRZSA-N 3 0 227.396 1.483 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCC2CC[NH2+]CC2)CCO1 ZINC000650762684 410409713 /nfs/dbraw/zinc/40/97/13/410409713.db2.gz HUBCAIBPEXXWRB-AAEUAGOBSA-N 2 0 226.364 1.533 20 0 BDADRP C(CC1CC[NH2+]CC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000650761598 410409852 /nfs/dbraw/zinc/40/98/52/410409852.db2.gz DSROEOFWLBWOKP-PBWFPOADSA-N 3 0 237.391 1.249 20 0 BDADRP CO[C@H]1CCC[C@H]([NH2+]CCC2CC[NH2+]CC2)C1 ZINC000650762314 410412634 /nfs/dbraw/zinc/41/26/34/410412634.db2.gz ZWEDHPGSCZJHCJ-KBPBESRZSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]([NH3+])CCC(=O)N(C)CC[NH+]1CCCCC1 ZINC000653274850 410555104 /nfs/dbraw/zinc/55/51/04/410555104.db2.gz QFQYCTQHBHJZQO-GFCCVEGCSA-N 2 0 241.379 1.058 20 0 BDADRP CN(CC[NH+]1CCCCC1)C(=O)CC(C)(C)[NH3+] ZINC000653274926 410557563 /nfs/dbraw/zinc/55/75/63/410557563.db2.gz RZHUYQBKWWRCPY-UHFFFAOYSA-N 2 0 241.379 1.058 20 0 BDADRP C([C@@H]1CC[NH2+]C1)[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000133882238 410610575 /nfs/dbraw/zinc/61/05/75/410610575.db2.gz QIUDWHZECUGZQK-AGIUHOORSA-N 2 0 208.349 1.860 20 0 BDADRP COC1CC(CC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000665230708 410724355 /nfs/dbraw/zinc/72/43/55/410724355.db2.gz UIAVCGMRKBAYDT-POOIEITISA-N 2 0 226.364 1.519 20 0 BDADRP C[C@H](NCC1([NH3+])CCCC1)c1c[nH+]ccc1N ZINC000665247258 410728524 /nfs/dbraw/zinc/72/85/24/410728524.db2.gz YQXRZWOQNPPOPL-JTQLQIEISA-N 2 0 234.347 1.416 20 0 BDADRP C[C@H]1COCC[C@H]1[NH2+]CC1([NH3+])CCCC1 ZINC000665246289 410728596 /nfs/dbraw/zinc/72/85/96/410728596.db2.gz AUOLVNRNJKZNCH-WDEREUQCSA-N 2 0 212.337 1.273 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2([NH3+])CCCC2)[C@H](C)O1 ZINC000665246268 410729784 /nfs/dbraw/zinc/72/97/84/410729784.db2.gz AKKRYKHEFRCVEL-OUAUKWLOSA-N 2 0 212.337 1.413 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@H](C)C[C@H](C)[NH3+])C1 ZINC000665273839 410744260 /nfs/dbraw/zinc/74/42/60/410744260.db2.gz FLIVTRNSRDDYQT-TUAOUCFPSA-N 2 0 213.369 1.186 20 0 BDADRP CC(C)[C@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000309291097 410745304 /nfs/dbraw/zinc/74/53/04/410745304.db2.gz VTIQGBDPMSYOGY-STQMWFEESA-N 2 0 230.396 1.664 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CC(C)(C)CO ZINC000393692375 410756510 /nfs/dbraw/zinc/75/65/10/410756510.db2.gz XJSBYVXVJUYMIE-JTQLQIEISA-N 2 0 202.342 1.112 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)CCCCO ZINC000665282379 410760922 /nfs/dbraw/zinc/76/09/22/410760922.db2.gz WSHXSCNBCQCRDT-NWDGAFQWSA-N 2 0 216.369 1.501 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)CCCCO ZINC000665282380 410761525 /nfs/dbraw/zinc/76/15/25/410761525.db2.gz WSHXSCNBCQCRDT-VXGBXAGGSA-N 2 0 216.369 1.501 20 0 BDADRP CC[NH+](CC)CCCN1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000338284549 169772278 /nfs/dbraw/zinc/77/22/78/169772278.db2.gz QYLHTCMTYPCQLH-KBPBESRZSA-N 2 0 241.423 1.743 20 0 BDADRP C[C@H]([NH2+][C@H]1CCCNC1)C1CC[NH+](C)CC1 ZINC000396470018 410886290 /nfs/dbraw/zinc/88/62/90/410886290.db2.gz WPGDDYQJBCCBNW-AAEUAGOBSA-N 2 0 225.380 1.058 20 0 BDADRP CC(C)C[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000109121395 167004408 /nfs/dbraw/zinc/00/44/08/167004408.db2.gz NNKPNQXGXNLYCX-CYBMUJFWSA-N 2 0 228.380 1.325 20 0 BDADRP CC(C)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000053659756 167099573 /nfs/dbraw/zinc/09/95/73/167099573.db2.gz QPKKZCHUYDMPCV-UHFFFAOYSA-N 2 0 227.396 1.258 20 0 BDADRP CC(C)[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000037482878 167102060 /nfs/dbraw/zinc/10/20/60/167102060.db2.gz MANSBMMQUFKIJX-CHWSQXEVSA-N 2 0 228.380 1.874 20 0 BDADRP CC(C)[NH2+]CC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000370305010 167107200 /nfs/dbraw/zinc/10/72/00/167107200.db2.gz FDSCSMXWPKVECB-CYBMUJFWSA-N 2 0 240.391 1.923 20 0 BDADRP CC(C)[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000051548743 167120723 /nfs/dbraw/zinc/12/07/23/167120723.db2.gz VPWMTDCMAPKVTO-UHFFFAOYSA-N 2 0 237.347 1.520 20 0 BDADRP CC(C)OCC[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000122347389 167236653 /nfs/dbraw/zinc/23/66/53/167236653.db2.gz LHPYLYUZHBXRHI-MNOVXSKESA-N 2 0 200.326 1.081 20 0 BDADRP COCc1ccccc1C[NH2+]CCC[NH3+] ZINC000083968975 487619632 /nfs/dbraw/zinc/61/96/32/487619632.db2.gz DQIBWDUNTSGNEM-UHFFFAOYSA-N 2 0 208.305 1.271 20 0 BDADRP CCO[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000042425531 411002740 /nfs/dbraw/zinc/00/27/40/411002740.db2.gz SYSLCEUOTBKLJA-ZDUSSCGKSA-N 2 0 226.364 1.487 20 0 BDADRP COC[C@H]([NH2+]CCC1CC[NH2+]CC1)C1CC1 ZINC000398125589 410944989 /nfs/dbraw/zinc/94/49/89/410944989.db2.gz RKASIEKAGIYXRH-ZDUSSCGKSA-N 2 0 226.364 1.391 20 0 BDADRP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400939112 411163531 /nfs/dbraw/zinc/16/35/31/411163531.db2.gz ALHNJRYWDOWORG-NJMOYASZSA-N 2 0 238.375 1.124 20 0 BDADRP C1=C(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)COCC1 ZINC000400922755 411163782 /nfs/dbraw/zinc/16/37/82/411163782.db2.gz GIAIZZKDPPFVQJ-HZSPNIEDSA-N 2 0 236.359 1.311 20 0 BDADRP CC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000400925878 411163789 /nfs/dbraw/zinc/16/37/89/411163789.db2.gz MECXNMYHYMIXFF-QJPTWQEYSA-N 2 0 208.349 1.764 20 0 BDADRP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400916034 411163810 /nfs/dbraw/zinc/16/38/10/411163810.db2.gz HNEZXYQQWLYVTO-SJHCENCUSA-N 2 0 208.349 1.763 20 0 BDADRP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CCO[C@H]1C ZINC000651865712 411147875 /nfs/dbraw/zinc/14/78/75/411147875.db2.gz FMLKVAFEARLMQW-STQMWFEESA-N 2 0 228.380 1.731 20 0 BDADRP C[C@H]1CN(CCc2noc3ccccc32)C[C@H]1[NH3+] ZINC000655941337 411160484 /nfs/dbraw/zinc/16/04/84/411160484.db2.gz QOUZDCKMEGGLMK-CMPLNLGQSA-N 2 0 245.326 1.649 20 0 BDADRP CC[NH+](CC)CCC[N@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661626312 411092434 /nfs/dbraw/zinc/09/24/34/411092434.db2.gz NWZIVPBIDVSJFB-WDNDVIMCSA-N 2 0 242.407 1.667 20 0 BDADRP CCC(C)(C)[NH+]1CCN(C[C@@H](C)[NH3+])CC1 ZINC000655948084 411161370 /nfs/dbraw/zinc/16/13/70/411161370.db2.gz XRIOCKGAXNCMKH-LLVKDONJSA-N 2 0 213.369 1.140 20 0 BDADRP FC1(F)CC[C@H](C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000300854765 411126925 /nfs/dbraw/zinc/12/69/25/411126925.db2.gz KBDMWJWNVKUEOE-DCAQKATOSA-N 2 0 230.302 1.573 20 0 BDADRP Cc1ccncc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401014108 411172296 /nfs/dbraw/zinc/17/22/96/411172296.db2.gz NSVMFHYEIAHBOZ-VNHYZAJKSA-N 2 0 245.370 1.868 20 0 BDADRP C[N@H+]1CC=C(C[NH2+][C@H]2COC3(CCC3)C2)CC1 ZINC000657937652 411173481 /nfs/dbraw/zinc/17/34/81/411173481.db2.gz KBMKAFTUCXYMJP-CYBMUJFWSA-N 2 0 236.359 1.550 20 0 BDADRP C1CC1N1CC[C@@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000401048374 411174867 /nfs/dbraw/zinc/17/48/67/411174867.db2.gz XBUAXGWCIGISCP-XJFOESAGSA-N 2 0 249.402 1.201 20 0 BDADRP CC[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)OC ZINC000401083101 411176466 /nfs/dbraw/zinc/17/64/66/411176466.db2.gz SUBWVYPEWZKRLL-YVECIDJPSA-N 2 0 226.364 1.389 20 0 BDADRP C(COCC1CC1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401113188 411177147 /nfs/dbraw/zinc/17/71/47/411177147.db2.gz HEIFZVPGRFOWQQ-MELADBBJSA-N 2 0 238.375 1.391 20 0 BDADRP Cc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)on1 ZINC000401136200 411177675 /nfs/dbraw/zinc/17/76/75/411177675.db2.gz QRUOHPOQWSRJBX-SDDRHHMPSA-N 2 0 235.331 1.461 20 0 BDADRP C(CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)C[NH+]1CCC1 ZINC000655754068 411184212 /nfs/dbraw/zinc/18/42/12/411184212.db2.gz LAPHFZGUIYGJOL-KBPBESRZSA-N 2 0 237.391 1.299 20 0 BDADRP C[C@H](O)C[N@H+](C[C@H]1CC[NH2+][C@H](C)C1)C1CC1 ZINC000656194211 411199740 /nfs/dbraw/zinc/19/97/40/411199740.db2.gz DTIKEXNADARRQC-WOPDTQHZSA-N 2 0 226.364 1.220 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@H]2COC[C@]2(C)C1 ZINC000661701985 411201235 /nfs/dbraw/zinc/20/12/35/411201235.db2.gz UFLMNFJFECZFSC-MJBXVCDLSA-N 2 0 238.375 1.439 20 0 BDADRP Cc1nccnc1CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000656199080 411201493 /nfs/dbraw/zinc/20/14/93/411201493.db2.gz KFTLZHUVKYQGHY-VXGBXAGGSA-N 2 0 234.347 1.187 20 0 BDADRP C[C@H]1C[N@H+](CCCC2CC[NH2+]CC2)CCCO1 ZINC000061934602 411202008 /nfs/dbraw/zinc/20/20/08/411202008.db2.gz OXHREIFVEHGETK-ZDUSSCGKSA-N 2 0 240.391 1.877 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000656197373 411203287 /nfs/dbraw/zinc/20/32/87/411203287.db2.gz DCVJUIJKSHSDFB-MGPQQGTHSA-N 3 0 237.391 1.330 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cnccc1N ZINC000656199741 411204032 /nfs/dbraw/zinc/20/40/32/411204032.db2.gz BTWCENSWYDFZFS-UTUOFQBUSA-N 2 0 248.374 1.485 20 0 BDADRP Cc1cnc(CC[NH2+][C@H]2CCC[C@H]2C[NH3+])c(C)c1 ZINC000656199753 411204368 /nfs/dbraw/zinc/20/43/68/411204368.db2.gz BXSVYDYFZNUCHT-ZFWWWQNUSA-N 2 0 247.386 1.958 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC000656200149 411204522 /nfs/dbraw/zinc/20/45/22/411204522.db2.gz GAWRGURWAYTUCQ-HUUCEWRRSA-N 3 0 245.370 1.649 20 0 BDADRP C[C@H]1CCC[N@H+](Cc2ccnc(N)c2)[C@H]1CC[NH3+] ZINC000652355988 411214417 /nfs/dbraw/zinc/21/44/17/411214417.db2.gz ORGBXZSNNQZVMK-AAEUAGOBSA-N 2 0 248.374 1.443 20 0 BDADRP CC[C@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000658106854 411247053 /nfs/dbraw/zinc/24/70/53/411247053.db2.gz FWOSOLQBUZVGCO-STQMWFEESA-N 2 0 229.412 1.647 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)C1(C)CC1 ZINC000310226849 411226937 /nfs/dbraw/zinc/22/69/37/411226937.db2.gz GXBCTAHBSTYIQL-QWHCGFSZSA-N 2 0 242.407 1.808 20 0 BDADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCN[C@H]1CCC[C@H]1[NH3+] ZINC000422884898 411233148 /nfs/dbraw/zinc/23/31/48/411233148.db2.gz FVDZGMWWIFECDP-RQJABVFESA-N 2 0 239.407 1.719 20 0 BDADRP CC[N@H+](CCN[C@@H]1CCCCC[C@H]1[NH3+])C(C)C ZINC000422883832 411233261 /nfs/dbraw/zinc/23/32/61/411233261.db2.gz VRFNWXHDOFNGTP-ZIAGYGMSSA-N 2 0 241.423 1.966 20 0 BDADRP COCCCC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422884323 411233996 /nfs/dbraw/zinc/23/39/96/411233996.db2.gz RVACRXMVHHGCMR-RYUDHWBXSA-N 2 0 214.353 1.663 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H](CO)C2CCC2)CC1 ZINC000658086656 411234592 /nfs/dbraw/zinc/23/45/92/411234592.db2.gz DLVVXIHOVGUOQZ-AWEZNQCLSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@H](C[NH2+][C@H]1CCC[C@H]1[NH3+])Oc1ccccc1 ZINC000422976459 411236071 /nfs/dbraw/zinc/23/60/71/411236071.db2.gz DHHZKIBLTMFQEI-BNOWGMLFSA-N 2 0 234.343 1.923 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CCC[NH2+]1 ZINC000423173579 411236171 /nfs/dbraw/zinc/23/61/71/411236171.db2.gz ZGYOWLUECJAZIS-BNDIWNMDSA-N 2 0 208.349 1.905 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@H](CO)C2CCC2)CC1 ZINC000658086998 411237236 /nfs/dbraw/zinc/23/72/36/411237236.db2.gz FXDBNAQCLUXCPZ-CQSZACIVSA-N 2 0 240.391 1.610 20 0 BDADRP CC[C@H]1C[N@H+](Cc2cccnc2C)CC[C@H]1[NH3+] ZINC000310516695 411239624 /nfs/dbraw/zinc/23/96/24/411239624.db2.gz RVPUPYLGXVEBJG-GXTWGEPZSA-N 2 0 233.359 1.949 20 0 BDADRP c1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)co1 ZINC000400947323 411165781 /nfs/dbraw/zinc/16/57/81/411165781.db2.gz DEIHEMLXYLGPTF-YNEHKIRRSA-N 2 0 220.316 1.757 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCCO1 ZINC000400971883 411167218 /nfs/dbraw/zinc/16/72/18/411167218.db2.gz MZBIGVLHPMIMAY-IGQOVBAYSA-N 2 0 238.375 1.533 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400974093 411167374 /nfs/dbraw/zinc/16/73/74/411167374.db2.gz QYOFLCMVUSGZIA-XJFOESAGSA-N 2 0 240.391 1.373 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CC2([NH3+])CCOCC2)C1 ZINC000129376018 411267800 /nfs/dbraw/zinc/26/78/00/411267800.db2.gz PNFYHIZFHIALJS-MNOVXSKESA-N 2 0 212.337 1.273 20 0 BDADRP CCCCC[N@H+](CCO)C[C@@H]1CC[NH2+]C1 ZINC000309838531 411267909 /nfs/dbraw/zinc/26/79/09/411267909.db2.gz NAQRBEWVMMXZCZ-GFCCVEGCSA-N 2 0 214.353 1.080 20 0 BDADRP CC[N@H+](CCC1CC[NH2+]CC1)[C@@H]1CCCOC1 ZINC000402581430 411267996 /nfs/dbraw/zinc/26/79/96/411267996.db2.gz DINFFFOYERPJSL-CQSZACIVSA-N 2 0 240.391 1.877 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)C2(CO)CC2)CC1 ZINC000658159520 411272759 /nfs/dbraw/zinc/27/27/59/411272759.db2.gz KHLKCAZUAJQODX-LBPRGKRZSA-N 2 0 240.391 1.610 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)C2(CO)CC2)[C@@H](C)C1 ZINC000658162422 411276233 /nfs/dbraw/zinc/27/62/33/411276233.db2.gz XJOFKCQGLSRNEP-XQQFMLRXSA-N 2 0 240.391 1.467 20 0 BDADRP CC(C)(C)[C@@H]([NH3+])c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000656466717 411279547 /nfs/dbraw/zinc/27/95/47/411279547.db2.gz HHYCOTMEKSVXTH-KOLCDFICSA-N 2 0 237.351 1.249 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H](C)OC)[C@@H](C)C1 ZINC000658170725 411279835 /nfs/dbraw/zinc/27/98/35/411279835.db2.gz MVYMPXPVNGPWEO-SDDRHHMPSA-N 2 0 214.353 1.341 20 0 BDADRP Cn1cc(CC[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cn1 ZINC000310782116 411285162 /nfs/dbraw/zinc/28/51/62/411285162.db2.gz RWEIVPYMIDFOCC-KBPBESRZSA-N 2 0 248.374 1.023 20 0 BDADRP C[NH+](C)C[C@H]1CCN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000161853934 411294970 /nfs/dbraw/zinc/29/49/70/411294970.db2.gz BJZWGFXSYLGRSE-KGLIPLIRSA-N 2 0 239.407 1.354 20 0 BDADRP CC1(C)CC[C@H]([NH2+]CC2([NH3+])CCOCC2)C1 ZINC000129520539 411304013 /nfs/dbraw/zinc/30/40/13/411304013.db2.gz BZBSPVATDBEBRX-NSHDSACASA-N 2 0 226.364 1.663 20 0 BDADRP COC[C@H](C)[NH2+]C[C@@H]1CCN1C(C)(C)C ZINC000656676666 411322656 /nfs/dbraw/zinc/32/26/56/411322656.db2.gz PKFXQWQBEZYFGN-QWRGUYRKSA-N 2 0 214.353 1.484 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)CCO1 ZINC000309801967 411252718 /nfs/dbraw/zinc/25/27/18/411252718.db2.gz WRATVHIIMPGLIZ-FRRDWIJNSA-N 2 0 228.380 1.731 20 0 BDADRP CC(C)[NH2+]C1(CO)CC[NH+](C2CCCC2)CC1 ZINC000653727568 411258030 /nfs/dbraw/zinc/25/80/30/411258030.db2.gz GDLIYRQXQPFDJE-UHFFFAOYSA-N 2 0 240.391 1.754 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC2(CC2)CC1 ZINC000660145529 411260913 /nfs/dbraw/zinc/26/09/13/411260913.db2.gz XFOIVUOPMHSMKQ-CYBMUJFWSA-N 2 0 240.391 1.564 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]C2CC(CO)C2)CC1 ZINC000658352915 411356191 /nfs/dbraw/zinc/35/61/91/411356191.db2.gz ZXRVZONFZXQODG-UHFFFAOYSA-N 2 0 226.364 1.220 20 0 BDADRP C[C@@H](C[NH2+]CC1CC[NH2+]CC1)c1ccccn1 ZINC000656781961 411357677 /nfs/dbraw/zinc/35/76/77/411357677.db2.gz AWMSEEFFXDMHSB-LBPRGKRZSA-N 2 0 233.359 1.774 20 0 BDADRP C[C@@H](C[NH2+]C[C@]1(C)CC[NH2+]C1)c1ccccn1 ZINC000656783966 411361731 /nfs/dbraw/zinc/36/17/31/411361731.db2.gz WXRSRTMXUOKTBK-GXTWGEPZSA-N 2 0 233.359 1.774 20 0 BDADRP C[C@]1(C[NH2+]Cc2cccc(N)c2)CC[NH2+]C1 ZINC000656784271 411361793 /nfs/dbraw/zinc/36/17/93/411361793.db2.gz DBTNCQSOSHJKKA-ZDUSSCGKSA-N 2 0 219.332 1.358 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CCC[NH2+]CC1)c1ccccn1 ZINC000656784143 411361842 /nfs/dbraw/zinc/36/18/42/411361842.db2.gz YZSQHANTOIHJDR-CHWSQXEVSA-N 2 0 233.359 1.917 20 0 BDADRP CC(C)(N)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656784163 411361849 /nfs/dbraw/zinc/36/18/49/411361849.db2.gz ZEGGCLIMTIXWHR-ZDUSSCGKSA-N 2 0 239.407 1.435 20 0 BDADRP C[C@@]1(C[N@H+]2C[C@]3(C)COC[C@]3(C)C2)CC[NH2+]C1 ZINC000656787231 411365704 /nfs/dbraw/zinc/36/57/04/411365704.db2.gz HPVJNCCCVBEUMJ-MCIONIFRSA-N 2 0 238.375 1.344 20 0 BDADRP CC[NH2+]CCNCc1ccc2c(c1)C[NH2+]CC2 ZINC000656787485 411365919 /nfs/dbraw/zinc/36/59/19/411365919.db2.gz ZHWSRINBOVHSBD-UHFFFAOYSA-N 2 0 233.359 1.031 20 0 BDADRP CC(C)([NH3+])CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656787053 411365992 /nfs/dbraw/zinc/36/59/92/411365992.db2.gz SFMQTNRGCZTGJP-ZDUSSCGKSA-N 2 0 239.407 1.435 20 0 BDADRP CC(C)([NH3+])C[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000656788002 411367709 /nfs/dbraw/zinc/36/77/09/411367709.db2.gz FXDAPONAJADTMU-TXEJJXNPSA-N 2 0 212.337 1.082 20 0 BDADRP CC[C@H](COC)[NH2+]CC1([NH3+])CCCC1 ZINC000656789099 411368815 /nfs/dbraw/zinc/36/88/15/411368815.db2.gz JAWRXJVTNWZFCZ-SNVBAGLBSA-N 2 0 200.326 1.273 20 0 BDADRP C[N@H+](CC1=CCCOC1)C[C@]1(C)CC[NH2+]C1 ZINC000656791055 411369995 /nfs/dbraw/zinc/36/99/95/411369995.db2.gz RLTWXRUTDXLAEH-CYBMUJFWSA-N 2 0 224.348 1.265 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)C[C@H](C)O1 ZINC000656791611 411370485 /nfs/dbraw/zinc/37/04/85/411370485.db2.gz IINJFQVVANAQJC-FRRDWIJNSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1C[C@@H](C[N@H+](C)CC2=CCCOC2)CC[NH2+]1 ZINC000656791229 411371157 /nfs/dbraw/zinc/37/11/57/411371157.db2.gz XBCCRABWGINIBG-OLZOCXBDSA-N 2 0 238.375 1.653 20 0 BDADRP C[N@@H+](CC1=CCCOC1)CC1CC[NH2+]CC1 ZINC000656790653 411371282 /nfs/dbraw/zinc/37/12/82/411371282.db2.gz HGHWJNKXTGOOTK-UHFFFAOYSA-N 2 0 224.348 1.265 20 0 BDADRP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000656791752 411371714 /nfs/dbraw/zinc/37/17/14/411371714.db2.gz JLLXGYOPYRHAKJ-AVGNSLFASA-N 2 0 226.364 1.328 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCOC2(C)C)CC[N@@H+]1C ZINC000658330415 411338576 /nfs/dbraw/zinc/33/85/76/411338576.db2.gz JGPXGNFKBMKDHN-FRRDWIJNSA-N 2 0 240.391 1.874 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CC[C@@H](C)O[C@@H](C)C1 ZINC000656792559 411372170 /nfs/dbraw/zinc/37/21/70/411372170.db2.gz SLSVAKBJOWJDEM-FRRDWIJNSA-N 2 0 228.380 1.859 20 0 BDADRP C[C@H](O)CCC[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660665078 411376868 /nfs/dbraw/zinc/37/68/68/411376868.db2.gz TZMVRWAJJYYAOP-UONOGXRCSA-N 2 0 240.391 1.565 20 0 BDADRP CC(C)[C@@H](O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660662434 411376022 /nfs/dbraw/zinc/37/60/22/411376022.db2.gz KDQUBGKKSSUHEG-UONOGXRCSA-N 2 0 240.391 1.421 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000336704504 168179124 /nfs/dbraw/zinc/17/91/24/168179124.db2.gz KRDQYGUUNDAUGL-AWEZNQCLSA-N 3 0 241.423 1.825 20 0 BDADRP CC(C)OCC[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404360394 411391706 /nfs/dbraw/zinc/39/17/06/411391706.db2.gz DYDWUVATLQFHTA-OLZOCXBDSA-N 2 0 228.380 1.861 20 0 BDADRP COC(=O)C(C)(C)CC[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414865759 411455429 /nfs/dbraw/zinc/45/54/29/411455429.db2.gz ZSOGRGOCXQOMFO-NSHDSACASA-N 2 0 242.363 1.165 20 0 BDADRP C[NH+](C)C1CC([NH2+]C2CCSCC2)C1 ZINC000655790054 411456239 /nfs/dbraw/zinc/45/62/39/411456239.db2.gz DKQQMPQRDWJVHF-UHFFFAOYSA-N 2 0 214.378 1.564 20 0 BDADRP C[C@@H]1CCC[N@H+](Cc2cncn2C)[C@H]1CC[NH3+] ZINC000404374589 411392373 /nfs/dbraw/zinc/39/23/73/411392373.db2.gz KGNJQJPGCHRSSP-YPMHNXCESA-N 2 0 236.363 1.369 20 0 BDADRP COCCOCC[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404384918 411392735 /nfs/dbraw/zinc/39/27/35/411392735.db2.gz NWOVVTMSFZSPSD-CHWSQXEVSA-N 2 0 244.379 1.099 20 0 BDADRP Cc1cc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])on1 ZINC000404376648 411392904 /nfs/dbraw/zinc/39/29/04/411392904.db2.gz KYNONUQTLKMFSZ-GXFFZTMASA-N 2 0 237.347 1.932 20 0 BDADRP COCCCC[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404427703 411396758 /nfs/dbraw/zinc/39/67/58/411396758.db2.gz MRNCJLMHBREFJU-OLZOCXBDSA-N 2 0 228.380 1.862 20 0 BDADRP CCO[C@@H]1C[N@H+](CCC(C)C)C[C@H]1C[NH3+] ZINC000405399031 411427064 /nfs/dbraw/zinc/42/70/64/411427064.db2.gz VHFNKWFIBYOPGC-VXGBXAGGSA-N 2 0 214.353 1.328 20 0 BDADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC1(CO)CC1 ZINC000122356740 411430658 /nfs/dbraw/zinc/43/06/58/411430658.db2.gz HPUCVGGNSLVZEG-STQMWFEESA-N 2 0 240.391 1.659 20 0 BDADRP CCO[C@@H]1C[N@H+](Cc2cccs2)C[C@H]1C[NH3+] ZINC000405644309 411437368 /nfs/dbraw/zinc/43/73/68/411437368.db2.gz DNQRWIICVWWEGQ-ZYHUDNBSSA-N 2 0 240.372 1.544 20 0 BDADRP C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)CCC[NH3+] ZINC000414707655 411440694 /nfs/dbraw/zinc/44/06/94/411440694.db2.gz MZECKIKSLLHUOZ-BXUZGUMPSA-N 2 0 234.343 1.659 20 0 BDADRP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000414707576 411440742 /nfs/dbraw/zinc/44/07/42/411440742.db2.gz IAVBJZRVQBKPPF-WOPDTQHZSA-N 2 0 214.353 1.063 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)CO1 ZINC000657334427 411463584 /nfs/dbraw/zinc/46/35/84/411463584.db2.gz ABURESFQPAFJEK-QJPTWQEYSA-N 2 0 214.353 1.484 20 0 BDADRP CC(C)(CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000405972854 411448433 /nfs/dbraw/zinc/44/84/33/411448433.db2.gz VVFHRZRCNCRECG-VXGBXAGGSA-N 2 0 222.376 1.964 20 0 BDADRP CCN1CCC[C@H]1C[NH2+]Cc1cnc2n1CCC2 ZINC000657291269 411451969 /nfs/dbraw/zinc/45/19/69/411451969.db2.gz WWNFMIVNZWDOEB-LBPRGKRZSA-N 2 0 248.374 1.403 20 0 BDADRP C[NH+]1CCC(C[NH2+]Cc2cnc3n2CCC3)CC1 ZINC000657350009 411475467 /nfs/dbraw/zinc/47/54/67/411475467.db2.gz XKCDYWXUWTVWLY-UHFFFAOYSA-N 2 0 248.374 1.261 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)CO1 ZINC000657359451 411477126 /nfs/dbraw/zinc/47/71/26/411477126.db2.gz UUELGMMXDFEWIF-RWMBFGLXSA-N 2 0 226.364 1.485 20 0 BDADRP CC[C@H](O)CC[NH2+]Cc1cnc2n1CCC2 ZINC000657397923 411495040 /nfs/dbraw/zinc/49/50/40/411495040.db2.gz GVDDEIMLTWBVEO-NSHDSACASA-N 2 0 223.320 1.080 20 0 BDADRP C[C@H]1COCC[C@@H]1[NH2+]Cc1cnc2n1CCC2 ZINC000657450570 411511216 /nfs/dbraw/zinc/51/12/16/411511216.db2.gz RTNFERSCRVHDKX-JQWIXIFHSA-N 2 0 235.331 1.344 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@]1(C)CCCO1 ZINC000655803792 411518261 /nfs/dbraw/zinc/51/82/61/411518261.db2.gz DOMGNGAYMYUEBM-FQUUOJAGSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC000655804258 411519147 /nfs/dbraw/zinc/51/91/47/411519147.db2.gz REEOSGUHTMXXMH-KYGRNUTJSA-N 2 0 240.391 1.872 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CCO1 ZINC000655804131 411519250 /nfs/dbraw/zinc/51/92/50/411519250.db2.gz QWZIEPHGVOMDNN-IGQOVBAYSA-N 2 0 240.391 1.874 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]C[C@H](C)C[NH+](C)C)CO1 ZINC000657472178 411523331 /nfs/dbraw/zinc/52/33/31/411523331.db2.gz OHMVYJCHFVXXLW-SDDRHHMPSA-N 2 0 214.353 1.341 20 0 BDADRP CC[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CO1 ZINC000657483149 411528719 /nfs/dbraw/zinc/52/87/19/411528719.db2.gz KUFJLTWDULRXNI-ZGHZMMAESA-N 2 0 238.375 1.769 20 0 BDADRP Cc1nc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cs1 ZINC000655826739 411529751 /nfs/dbraw/zinc/52/97/51/411529751.db2.gz XYSXGKIJHWCACF-KLPPZKSPSA-N 2 0 239.388 1.881 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CO[C@@H](CC)C2)C1 ZINC000657327169 411466034 /nfs/dbraw/zinc/46/60/34/411466034.db2.gz ZCOLYUNJPWJDSC-RDBSUJKOSA-N 2 0 240.391 1.875 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCOC)C[C@H]1C ZINC000336684805 170009445 /nfs/dbraw/zinc/00/94/45/170009445.db2.gz UXGVMTUQIPDPDF-CHWSQXEVSA-N 2 0 228.380 1.828 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](COC)CC(C)C)C1 ZINC000360412253 170010146 /nfs/dbraw/zinc/01/01/46/170010146.db2.gz GAANYNLLNBBEQI-UONOGXRCSA-N 2 0 242.407 1.979 20 0 BDADRP CC[N@@H+]1CC[C@@H](CN[C@H](C)c2cnccn2)C1 ZINC000246672772 170010652 /nfs/dbraw/zinc/01/06/52/170010652.db2.gz GBRNZKNRVNSAQW-NEPJUHHUSA-N 2 0 234.347 1.469 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CCCO2)C1 ZINC000309469009 170016842 /nfs/dbraw/zinc/01/68/42/170016842.db2.gz UARYFVHIBRTFGB-XQQFMLRXSA-N 2 0 226.364 1.485 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000250336070 170017170 /nfs/dbraw/zinc/01/71/70/170017170.db2.gz PCDXNGMZHSFLMM-RDBSUJKOSA-N 3 0 239.407 1.435 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)CC[C@@H](C)O)[C@@H](C)C1 ZINC000336660721 170017894 /nfs/dbraw/zinc/01/78/94/170017894.db2.gz BCFLPVYLMXLEKT-XQQFMLRXSA-N 2 0 228.380 1.419 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCO2)[C@@H](C)C1 ZINC000336712194 170018820 /nfs/dbraw/zinc/01/88/20/170018820.db2.gz RPLOZQBBNNFJSL-IHRRRGAJSA-N 2 0 240.391 1.828 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CCC[C@@H](C)O)[C@H](C)C1 ZINC000309461597 170020919 /nfs/dbraw/zinc/02/09/19/170020919.db2.gz OBGCCFWPMVCBEQ-UPJWGTAASA-N 2 0 228.380 1.467 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)C[C@H](C)O)[C@@H](C)C1 ZINC000305116938 170021109 /nfs/dbraw/zinc/02/11/09/170021109.db2.gz IFGHALHEVMYNLQ-RFGFWPKPSA-N 2 0 242.407 1.713 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H](O)C(C)C)[C@@H](C)C1 ZINC000305121221 170021114 /nfs/dbraw/zinc/02/11/14/170021114.db2.gz HEBDKSWVSAQXIV-MELADBBJSA-N 2 0 242.407 1.713 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@](C)(O)C(C)C)[C@@H](C)C1 ZINC000305099269 170021549 /nfs/dbraw/zinc/02/15/49/170021549.db2.gz AJKVUIMFBRTDHP-MELADBBJSA-N 2 0 242.407 1.713 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCSC2)[C@@H](C)C1 ZINC000309046048 170022392 /nfs/dbraw/zinc/02/23/92/170022392.db2.gz OQFIGDHGNIYTMK-TUAOUCFPSA-N 2 0 228.405 1.812 20 0 BDADRP C[NH+]1CCC(N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000657563689 411552464 /nfs/dbraw/zinc/55/24/64/411552464.db2.gz UDDYPJQOELPLTJ-CYBMUJFWSA-N 2 0 239.407 1.543 20 0 BDADRP CC[NH2+]Cc1cccc(NC(=O)[C@@H]([NH3+])C(C)C)c1 ZINC000131647237 170128658 /nfs/dbraw/zinc/12/86/58/170128658.db2.gz MKHXFXGSVWFZTE-ZDUSSCGKSA-N 2 0 249.358 1.718 20 0 BDADRP CC[NH2+]Cc1cccc(NC(=O)[C@@H](C)C[NH3+])c1 ZINC000262262631 170128688 /nfs/dbraw/zinc/12/86/88/170128688.db2.gz URBBWZZEABMYRI-JTQLQIEISA-N 2 0 235.331 1.329 20 0 BDADRP CO[C@@H](C)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657620907 411566186 /nfs/dbraw/zinc/56/61/86/411566186.db2.gz SIUSUDKEISOSDJ-SRVKXCTJSA-N 2 0 212.337 1.238 20 0 BDADRP CCOC1CC([NH2+][C@H]2CCCN(C)[C@@H]2C)C1 ZINC000309648908 170330381 /nfs/dbraw/zinc/33/03/81/170330381.db2.gz NHMMBLKNJRYOKT-XVSSEFHLSA-N 2 0 226.364 1.626 20 0 BDADRP CCOCCC[NH2+]C1CC[NH+](CC)CC1 ZINC000019962805 170380132 /nfs/dbraw/zinc/38/01/32/170380132.db2.gz PLYKHSFAEQSRHM-UHFFFAOYSA-N 2 0 214.353 1.487 20 0 BDADRP CCOCC[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000336673525 170388077 /nfs/dbraw/zinc/38/80/77/170388077.db2.gz KTVSRHBKQXMNHE-UHFFFAOYSA-N 2 0 228.380 1.828 20 0 BDADRP CCOCC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000369736042 170398653 /nfs/dbraw/zinc/39/86/53/170398653.db2.gz LVDZANIPQRBFNA-GFCCVEGCSA-N 2 0 214.353 1.439 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000660781010 411629307 /nfs/dbraw/zinc/62/93/07/411629307.db2.gz QQRBBCCPPSYAPZ-MQYQWHSLSA-N 2 0 240.391 1.466 20 0 BDADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC1(C)COC1)C2 ZINC000660660453 411614875 /nfs/dbraw/zinc/61/48/75/411614875.db2.gz VSHOCMIKNYZZKR-AWEZNQCLSA-N 2 0 238.375 1.441 20 0 BDADRP CO[C@H](C)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660665120 411615593 /nfs/dbraw/zinc/61/55/93/411615593.db2.gz UMBIYJKXVPAACV-CHWSQXEVSA-N 2 0 226.364 1.439 20 0 BDADRP CO[C@@H](C)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660665123 411616054 /nfs/dbraw/zinc/61/60/54/411616054.db2.gz UMBIYJKXVPAACV-STQMWFEESA-N 2 0 226.364 1.439 20 0 BDADRP CCCCCN1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000133311016 411706699 /nfs/dbraw/zinc/70/66/99/411706699.db2.gz WGAJKLGEYGMJEX-MNOVXSKESA-N 2 0 200.326 1.225 20 0 BDADRP Cc1cc(CO)cc(NCC[N@@H+](C)C2CC2)n1 ZINC000663423757 411655898 /nfs/dbraw/zinc/65/58/98/411655898.db2.gz FXMONYKKTHNYHV-UHFFFAOYSA-N 2 0 235.331 1.388 20 0 BDADRP C[C@H]([NH2+]CCOCCF)C1CC[NH+](C)CC1 ZINC000663462544 411665981 /nfs/dbraw/zinc/66/59/81/411665981.db2.gz DLIABVFYAONBCJ-NSHDSACASA-N 2 0 232.343 1.292 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+]C1(C2CCC2)CC1 ZINC000660921207 411672097 /nfs/dbraw/zinc/67/20/97/411672097.db2.gz VBUSDWKNSHOXPO-CYBMUJFWSA-N 2 0 240.391 1.610 20 0 BDADRP [NH3+]C1(CNC[C@]23C[C@H]2C[NH2+]C3)CCCCCC1 ZINC000663494593 411674943 /nfs/dbraw/zinc/67/49/43/411674943.db2.gz PRBAOVGCACKOOC-QWHCGFSZSA-N 2 0 237.391 1.237 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+]C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663496204 411676550 /nfs/dbraw/zinc/67/65/50/411676550.db2.gz DGOPKVNMVRHUNB-HUUCEWRRSA-N 3 0 245.370 1.105 20 0 BDADRP C[C@@H]1CC2(C[N@@H+]1C[C@]13C[C@H]1C[NH2+]C3)CC[NH2+]CC2 ZINC000663497190 411679447 /nfs/dbraw/zinc/67/94/47/411679447.db2.gz LGDJNSWINZORPG-VNHYZAJKSA-N 3 0 249.402 1.060 20 0 BDADRP Nc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663496954 411679960 /nfs/dbraw/zinc/67/99/60/411679960.db2.gz JMMMAYBJRAGUIO-UGFHNGPFSA-N 2 0 243.354 1.455 20 0 BDADRP C[C@H](CCC1CC1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663498339 411681191 /nfs/dbraw/zinc/68/11/91/411681191.db2.gz OYFWZXNYMWETPZ-QFWMXSHPSA-N 2 0 208.349 1.907 20 0 BDADRP CC[N@@H+]1CC[C@@H](NCC23CC(C2)C[NH2+]3)[C@@H](C)C1 ZINC000663498251 411681548 /nfs/dbraw/zinc/68/15/48/411681548.db2.gz NXDMDXKDDZTBPX-RJZJGCCBSA-N 2 0 237.391 1.058 20 0 BDADRP CC[N@@H+]1CC[C@H](NCC23CC(C2)C[NH2+]3)[C@@H](C)C1 ZINC000663498248 411681708 /nfs/dbraw/zinc/68/17/08/411681708.db2.gz NXDMDXKDDZTBPX-AHPWVWPOSA-N 2 0 237.391 1.058 20 0 BDADRP CCOC[C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000663498697 411682351 /nfs/dbraw/zinc/68/23/51/411682351.db2.gz DKLCJRIHRJLHMX-WDEREUQCSA-N 2 0 202.342 1.374 20 0 BDADRP CCn1nccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000663512039 411691303 /nfs/dbraw/zinc/69/13/03/411691303.db2.gz DWAWJQVMGDHZSJ-RWMBFGLXSA-N 2 0 248.374 1.381 20 0 BDADRP CC[N@@H+]1C[C@H](C)[C@H](Nc2cc(CO)cc(C)n2)C1 ZINC000663709759 411728774 /nfs/dbraw/zinc/72/87/74/411728774.db2.gz ZCKAXRWJMPQZCO-GXFFZTMASA-N 2 0 249.358 1.634 20 0 BDADRP CC[C@@H](C(=O)NC[C@H](C)[NH+](CC)CC)[NH+](C)C ZINC000126395833 170664249 /nfs/dbraw/zinc/66/42/49/170664249.db2.gz PPPCXGGHYXPDPF-RYUDHWBXSA-N 2 0 243.395 1.173 20 0 BDADRP CCCC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662153456 412008953 /nfs/dbraw/zinc/00/89/53/412008953.db2.gz BRSHFLIPFQKSNP-CYBMUJFWSA-N 2 0 226.364 1.318 20 0 BDADRP O[C@@H]1CC[N@@H+](C2CC[NH+](C3CCCC3)CC2)C1 ZINC000662153748 412009175 /nfs/dbraw/zinc/00/91/75/412009175.db2.gz ULDBRDRRTVYQGS-CQSZACIVSA-N 2 0 238.375 1.460 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CCC[C@@H]2OCC[C@@H]21 ZINC000662215141 412027162 /nfs/dbraw/zinc/02/71/62/412027162.db2.gz GGADPBPRJKOIDX-STQMWFEESA-N 2 0 224.348 1.239 20 0 BDADRP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ncn1 ZINC000662265704 412058973 /nfs/dbraw/zinc/05/89/73/412058973.db2.gz HZJWAGGTXXVQFN-UBHSHLNASA-N 2 0 246.358 1.344 20 0 BDADRP Cc1nocc1CN(C1CC1)C1CC[NH2+]CC1 ZINC000662235759 412035546 /nfs/dbraw/zinc/03/55/46/412035546.db2.gz SJYHMLASDPKNSJ-UHFFFAOYSA-N 2 0 235.331 1.699 20 0 BDADRP C[NH2+]C[C@@H]1CCCN1C[C@@H](OC)C1CCCC1 ZINC000662247403 412044172 /nfs/dbraw/zinc/04/41/72/412044172.db2.gz ZWBLCPQIODNCFR-UONOGXRCSA-N 2 0 240.391 1.875 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000662247552 412045246 /nfs/dbraw/zinc/04/52/46/412045246.db2.gz XICWIYNTAGLARJ-RVMXOQNASA-N 2 0 208.349 1.574 20 0 BDADRP C[N@H+](CCO[C@H]1CC1(F)F)CC(C)(C)C[NH3+] ZINC000662248266 412047762 /nfs/dbraw/zinc/04/77/62/412047762.db2.gz XNRPPQINDKVMJA-VIFPVBQESA-N 2 0 236.306 1.327 20 0 BDADRP CC(C)[C@@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662250770 412049016 /nfs/dbraw/zinc/04/90/16/412049016.db2.gz NOXIQUQKTABHQS-STQMWFEESA-N 2 0 238.375 1.628 20 0 BDADRP CCCC[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662252232 412049225 /nfs/dbraw/zinc/04/92/25/412049225.db2.gz MXNKWVQXAIOFQN-CYBMUJFWSA-N 2 0 238.375 1.772 20 0 BDADRP C([C@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000662255349 412051418 /nfs/dbraw/zinc/05/14/18/412051418.db2.gz OSMFCFXVUMGXMX-FRRDWIJNSA-N 2 0 236.359 1.239 20 0 BDADRP c1ccc([C@@H]2CCCN2C[C@@H]2C[NH2+]CCO2)nc1 ZINC000662259735 412052885 /nfs/dbraw/zinc/05/28/85/412052885.db2.gz AVJNSAPCDJOMFK-JSGCOSHPSA-N 2 0 247.342 1.207 20 0 BDADRP CC[C@]1(C)CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662258695 412053335 /nfs/dbraw/zinc/05/33/35/412053335.db2.gz ZCDBKUDNOPYZGB-CHWSQXEVSA-N 2 0 238.375 1.629 20 0 BDADRP CC1(C)[C@@H]2C[N@@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C[C@@H]21 ZINC000662258291 412053409 /nfs/dbraw/zinc/05/34/09/412053409.db2.gz VGOKSBNDRLQILG-SDDRHHMPSA-N 2 0 236.359 1.095 20 0 BDADRP CO[C@H](C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C)C1CCCC1 ZINC000662266429 412057373 /nfs/dbraw/zinc/05/73/73/412057373.db2.gz YZCZLOVVKCDGMO-OUCADQQQSA-N 2 0 240.391 1.861 20 0 BDADRP C[N@@H+](Cc1cccnc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662278175 412071608 /nfs/dbraw/zinc/07/16/08/412071608.db2.gz XHODWEMRBVKLLT-CYBMUJFWSA-N 2 0 247.342 1.034 20 0 BDADRP CC[C@@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000246289068 171079130 /nfs/dbraw/zinc/07/91/30/171079130.db2.gz NDCNSUWVEIGFDW-DGCLKSJQSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H]1CCCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662279007 412070749 /nfs/dbraw/zinc/07/07/49/412070749.db2.gz DYEJXHZEOFTFDQ-QWHCGFSZSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@H]1CCCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662279008 412071443 /nfs/dbraw/zinc/07/14/43/412071443.db2.gz DYEJXHZEOFTFDQ-STQMWFEESA-N 2 0 238.375 1.629 20 0 BDADRP [NH3+]C[C@@H]1C[N@H+](CCCC2CCC2)CCCO1 ZINC000662281601 412072069 /nfs/dbraw/zinc/07/20/69/412072069.db2.gz OXMCVFOSGWLUNH-CYBMUJFWSA-N 2 0 226.364 1.616 20 0 BDADRP CC[C@H](C(=O)N(CC)CCC[NH+](C)C)[NH+](C)C ZINC000338893699 171222817 /nfs/dbraw/zinc/22/28/17/171222817.db2.gz YBEOFIOCALYKEU-GFCCVEGCSA-N 2 0 243.395 1.127 20 0 BDADRP CC[C@H](C(=O)N1CCC[C@@H]1C[NH3+])[NH+](CC)CC ZINC000359431087 171224921 /nfs/dbraw/zinc/22/49/21/171224921.db2.gz TYKLYHCNUSWQNN-VXGBXAGGSA-N 2 0 241.379 1.057 20 0 BDADRP C[N@H+](CCC(C)(C)C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662283547 412074866 /nfs/dbraw/zinc/07/48/66/412074866.db2.gz AERHNJYWZYWMJE-GFCCVEGCSA-N 2 0 240.391 1.875 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCO[C@@H]1CC1(F)F ZINC000662283932 412075243 /nfs/dbraw/zinc/07/52/43/412075243.db2.gz RMMCMTRUDRGATF-OPRDCNLKSA-N 2 0 234.290 1.270 20 0 BDADRP CC[C@H](C)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000120485918 171272199 /nfs/dbraw/zinc/27/21/99/171272199.db2.gz WKCBODQILZNXLW-AWEZNQCLSA-N 2 0 241.423 1.602 20 0 BDADRP C[N@H+](CCC(C)(C)C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662283548 412075730 /nfs/dbraw/zinc/07/57/30/412075730.db2.gz AERHNJYWZYWMJE-LBPRGKRZSA-N 2 0 240.391 1.875 20 0 BDADRP COCC1([N@H+](C)CC[C@H]2CC[NH2+]C2)CC1 ZINC000662298502 412083237 /nfs/dbraw/zinc/08/32/37/412083237.db2.gz DNXYRBPTKAEEGX-LLVKDONJSA-N 2 0 212.337 1.097 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCC[C@H](C)[C@H]1CCO ZINC000662303108 412083333 /nfs/dbraw/zinc/08/33/33/412083333.db2.gz SPXMLBWJDPVAKO-NWDGAFQWSA-N 2 0 214.353 1.079 20 0 BDADRP COCC1([N@H+](C)CCC2CC[NH2+]CC2)CC1 ZINC000662297090 412083995 /nfs/dbraw/zinc/08/39/95/412083995.db2.gz ACMDPYZOSVVNFC-UHFFFAOYSA-N 2 0 226.364 1.487 20 0 BDADRP CC[C@H](C)N(C)CC[NH2+][C@H](C)CCC[NH3+] ZINC000336707094 171308245 /nfs/dbraw/zinc/30/82/45/171308245.db2.gz RQNLHBWNTRNUCV-NEPJUHHUSA-N 2 0 215.385 1.434 20 0 BDADRP C[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)[C@@H]1CCO ZINC000662302860 412084930 /nfs/dbraw/zinc/08/49/30/412084930.db2.gz OOXGVBJLEGGRDF-FRRDWIJNSA-N 2 0 226.364 1.079 20 0 BDADRP CC[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000303105474 171342050 /nfs/dbraw/zinc/34/20/50/171342050.db2.gz CRRCSNSVJWRJAO-STQMWFEESA-N 2 0 228.380 1.467 20 0 BDADRP CC(C)(O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294077 412080969 /nfs/dbraw/zinc/08/09/69/412080969.db2.gz OVAYWNRZQMWTRG-CYBMUJFWSA-N 2 0 240.391 1.469 20 0 BDADRP C(C[N@@H+]1CCC[C@@H]2OCC[C@@H]21)[C@H]1CC[NH2+]C1 ZINC000662298564 412086261 /nfs/dbraw/zinc/08/62/61/412086261.db2.gz NRTDZEHXDVLNCH-AGIUHOORSA-N 2 0 224.348 1.239 20 0 BDADRP C[NH2+]CCCN1C[C@H]([NH3+])CCc2ccccc21 ZINC000662301883 412088471 /nfs/dbraw/zinc/08/84/71/412088471.db2.gz JAMNPJYMATZNGZ-CYBMUJFWSA-N 2 0 233.359 1.376 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCC[C@@H](CCF)C1 ZINC000662311634 412094499 /nfs/dbraw/zinc/09/44/99/412094499.db2.gz VCLMSDPYQHMQCE-NSHDSACASA-N 2 0 202.317 1.668 20 0 BDADRP C[N@H+](CC[C@H]1CC[NH2+]C1)CC1=CCSC1 ZINC000662327077 412105227 /nfs/dbraw/zinc/10/52/27/412105227.db2.gz IGFYSUOQRBDRPX-LLVKDONJSA-N 2 0 226.389 1.591 20 0 BDADRP [NH3+]CCC[N@@H+]1CC2CC1(c1ccccc1)C2 ZINC000662328510 412105328 /nfs/dbraw/zinc/10/53/28/412105328.db2.gz RIYJTWWYLSZCEG-UHFFFAOYSA-N 2 0 216.328 1.956 20 0 BDADRP C[N@H+](C[C@H]1CC1(C)C)C[C@@H]1CCC[NH2+]C1 ZINC000662332786 412105895 /nfs/dbraw/zinc/10/58/95/412105895.db2.gz XJBNUDGDBHHUOR-VXGBXAGGSA-N 2 0 210.365 1.964 20 0 BDADRP C[N@H+](C[C@@H]1CC1(C)C)C[C@@H]1CCC[NH2+]C1 ZINC000662332783 412106290 /nfs/dbraw/zinc/10/62/90/412106290.db2.gz XJBNUDGDBHHUOR-NEPJUHHUSA-N 2 0 210.365 1.964 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCCO1 ZINC000665236943 412175692 /nfs/dbraw/zinc/17/56/92/412175692.db2.gz WXQAPKIGNZUZBM-SDDRHHMPSA-N 2 0 212.337 1.143 20 0 BDADRP CC[C@H](COCC1CC1)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000665236169 412176975 /nfs/dbraw/zinc/17/69/75/412176975.db2.gz ISFBPQQGPRLXOK-GMXVVIOVSA-N 2 0 228.380 1.907 20 0 BDADRP CC[C@H](C)CC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000665237512 412178458 /nfs/dbraw/zinc/17/84/58/412178458.db2.gz CDDKAPGRRLPIGE-ZDEQEGDKSA-N 2 0 228.380 1.765 20 0 BDADRP C[C@H](C[NH+]1CCC(C)CC1)N[C@@H](C)C1C[NH2+]C1 ZINC000665272444 412214480 /nfs/dbraw/zinc/21/44/80/412214480.db2.gz FOKNHGMUDPUNGJ-OLZOCXBDSA-N 2 0 239.407 1.304 20 0 BDADRP Cc1ccncc1CC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000665238933 412179864 /nfs/dbraw/zinc/17/98/64/412179864.db2.gz HVXJERDIVZNXPF-UKRRQHHQSA-N 2 0 247.386 1.910 20 0 BDADRP Cc1ccncc1CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000665238998 412179919 /nfs/dbraw/zinc/17/99/19/412179919.db2.gz JWVOIECIKRKHQL-ZIAGYGMSSA-N 2 0 233.359 1.792 20 0 BDADRP C[C@@H]([NH2+]CC1([NH3+])CCCC1)[C@@H]1CCCO1 ZINC000665247976 412193499 /nfs/dbraw/zinc/19/34/99/412193499.db2.gz MXPNGGBNYFCZFZ-MNOVXSKESA-N 2 0 212.337 1.415 20 0 BDADRP [NH3+]C1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCCC1 ZINC000665248556 412194396 /nfs/dbraw/zinc/19/43/96/412194396.db2.gz ZDKHAGIQYFHNSX-STQMWFEESA-N 2 0 237.391 1.474 20 0 BDADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCC(C)(C)F ZINC000665261971 412203674 /nfs/dbraw/zinc/20/36/74/412203674.db2.gz PZULSBYTFYMFPR-HBNTYKKESA-N 2 0 232.343 1.467 20 0 BDADRP C[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)O1 ZINC000665264732 412207403 /nfs/dbraw/zinc/20/74/03/412207403.db2.gz HBWFECMEDNJKLS-DGAVXFQQSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)O1 ZINC000665264733 412207797 /nfs/dbraw/zinc/20/77/97/412207797.db2.gz HBWFECMEDNJKLS-REWJHTLYSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)O1 ZINC000665265063 412208611 /nfs/dbraw/zinc/20/86/11/412208611.db2.gz OMRKNQAYRKSCJI-YIPFDTCYSA-N 2 0 238.375 1.817 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CCC[C@H](C)O1 ZINC000665265116 412209201 /nfs/dbraw/zinc/20/92/01/412209201.db2.gz PRCQIFYBYSHCPM-BJDJZHNGSA-N 2 0 214.353 1.659 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CCC[C@@H](C)O1 ZINC000665265119 412209211 /nfs/dbraw/zinc/20/92/11/412209211.db2.gz PRCQIFYBYSHCPM-YFKTTZPYSA-N 2 0 214.353 1.659 20 0 BDADRP CC[NH2+]CCCNC(=O)c1cccc2c1C[NH2+]C2 ZINC000662399765 412148934 /nfs/dbraw/zinc/14/89/34/412148934.db2.gz SYYFNSOEXNZKJN-UHFFFAOYSA-N 2 0 247.342 1.019 20 0 BDADRP CCC[N@@H+]1CC[C@@H](N[C@@H](CC)[C@@H]2CCC[NH2+]2)C1 ZINC000665273865 412215807 /nfs/dbraw/zinc/21/58/07/412215807.db2.gz FVMIYVUEDBIGAR-RDBSUJKOSA-N 2 0 239.407 1.591 20 0 BDADRP [NH3+]C1(CC(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000662417240 412158602 /nfs/dbraw/zinc/15/86/02/412158602.db2.gz FOCWIIRIZGLFPE-UHFFFAOYSA-N 2 0 245.326 1.152 20 0 BDADRP CC[C@@H]([NH2+]C)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000662419110 412159388 /nfs/dbraw/zinc/15/93/88/412159388.db2.gz WJDCVUYLWKGMFR-CYBMUJFWSA-N 2 0 247.342 1.269 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000422748083 412173362 /nfs/dbraw/zinc/17/33/62/412173362.db2.gz RVTYXAUTYQXZPN-VEGXAWMVSA-N 2 0 224.348 1.413 20 0 BDADRP COC[C@H](CC[NH2+][C@H]1CCCCC[C@H]1[NH3+])OC ZINC000665235126 412173640 /nfs/dbraw/zinc/17/36/40/412173640.db2.gz QDKWXIAHQIBKOE-XQQFMLRXSA-N 2 0 244.379 1.288 20 0 BDADRP CC[C@@H]([NH2+]C)C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000662672850 412266466 /nfs/dbraw/zinc/26/64/66/412266466.db2.gz GEFYQPTVKRFFBM-NWDGAFQWSA-N 2 0 243.395 1.077 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CC1=CCCC1 ZINC000665274477 412216661 /nfs/dbraw/zinc/21/66/61/412216661.db2.gz QUMNNNRDSFMOFV-LBPRGKRZSA-N 2 0 212.337 1.440 20 0 BDADRP CC[C@H]1CCC[C@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665277940 412220748 /nfs/dbraw/zinc/22/07/48/412220748.db2.gz PYOYDBFKJIWMDY-CMOBGSAGSA-N 2 0 208.349 1.907 20 0 BDADRP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)C1CC[NH+](C)CC1 ZINC000665277099 412221680 /nfs/dbraw/zinc/22/16/80/412221680.db2.gz TVBMWVCOKJYZAH-DCBWTQNWSA-N 3 0 237.391 1.058 20 0 BDADRP [NH3+][C@@H]1C[C@@H](NCC23CC(C2)C[NH2+]3)c2ccccc21 ZINC000665280209 412224864 /nfs/dbraw/zinc/22/48/64/412224864.db2.gz VUJOBJPOBIXYRH-SORUDPMGSA-N 2 0 243.354 1.473 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000665280881 412226392 /nfs/dbraw/zinc/22/63/92/412226392.db2.gz OAGJLXHBQIGJQP-BFHYXJOUSA-N 2 0 239.407 1.576 20 0 BDADRP C[NH2+]C[C@H](C)N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000665298051 412246343 /nfs/dbraw/zinc/24/63/43/412246343.db2.gz QXEGUCIYWAZBEU-BIMULSAOSA-N 2 0 219.332 1.329 20 0 BDADRP CCn1nccc1C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000665299209 412247654 /nfs/dbraw/zinc/24/76/54/412247654.db2.gz IMUVAFHFHNBDIK-AAEUAGOBSA-N 2 0 236.363 1.381 20 0 BDADRP C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000662953285 412353699 /nfs/dbraw/zinc/35/36/99/412353699.db2.gz LWIOEDXDYCHGEC-SDDRHHMPSA-N 2 0 241.379 1.008 20 0 BDADRP C[NH2+]C[C@H](C)NC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000662966831 412358491 /nfs/dbraw/zinc/35/84/91/412358491.db2.gz CMQCTWVRVYPOOQ-UWVGGRQHSA-N 2 0 235.331 1.044 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)C[NH2+]C(C)C)cc1 ZINC000662783839 412301752 /nfs/dbraw/zinc/30/17/52/412301752.db2.gz RSAGMWKEKVGBIC-UHFFFAOYSA-N 2 0 235.331 1.343 20 0 BDADRP CCc1ncc(C[NH2+]CCCC[NH3+])s1 ZINC000037924672 172019515 /nfs/dbraw/zinc/01/95/15/172019515.db2.gz OWIBUVIPJPVIDY-UHFFFAOYSA-N 2 0 213.350 1.534 20 0 BDADRP CCc1nn(C)cc1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000310347576 172041729 /nfs/dbraw/zinc/04/17/29/172041729.db2.gz GJNPQBSFWTWREG-NSHDSACASA-N 2 0 238.379 1.590 20 0 BDADRP CCn1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cn1 ZINC000336521448 172162741 /nfs/dbraw/zinc/16/27/41/172162741.db2.gz XAYLWYUEQZYTEH-UHFFFAOYSA-N 2 0 248.374 1.479 20 0 BDADRP CCn1cc(C[NH2+]CC2=CC[N@H+](C)CC2)cn1 ZINC000271849923 172170557 /nfs/dbraw/zinc/17/05/57/172170557.db2.gz SPUXEHGGGIWAQW-UHFFFAOYSA-N 2 0 234.347 1.255 20 0 BDADRP CCn1cc([C@H](C)[NH2+]C2CCC([NH3+])CC2)cn1 ZINC000051694624 172195853 /nfs/dbraw/zinc/19/58/53/172195853.db2.gz UPLXAQFUYJLKOZ-PKSQDBQZSA-N 2 0 236.363 1.824 20 0 BDADRP C[N@H+](CCCC[NH3+])CCc1ccccc1 ZINC000033978718 172696778 /nfs/dbraw/zinc/69/67/78/172696778.db2.gz VRZUDEZCBNNHSG-UHFFFAOYSA-N 2 0 206.333 1.900 20 0 BDADRP C[N@H+](CCCC[NH3+])CCc1ccncc1 ZINC000004226760 172697622 /nfs/dbraw/zinc/69/76/22/172697622.db2.gz MPTCHBHGNMUYME-UHFFFAOYSA-N 2 0 207.321 1.295 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+]C2CCC([NH3+])CC2)CC1 ZINC000226344322 172981818 /nfs/dbraw/zinc/98/18/18/172981818.db2.gz CGJIXNFJPLPVAK-UHFFFAOYSA-N 3 0 239.407 1.578 20 0 BDADRP C[NH+]1CCC2(CCC[N@H+](Cc3ccno3)C2)CC1 ZINC000367199188 173002945 /nfs/dbraw/zinc/00/29/45/173002945.db2.gz INZDUWVFGWWVFS-UHFFFAOYSA-N 2 0 249.358 1.982 20 0 BDADRP C[N@H+](CCc1ccncc1)C[C@H]1CCC[NH+](C)C1 ZINC000118842511 173042333 /nfs/dbraw/zinc/04/23/33/173042333.db2.gz SFVXJDLONWYDER-HNNXBMFYSA-N 2 0 247.386 1.898 20 0 BDADRP C[N@@H+]1CCC[C@H]2CN(CC(C)(C)[NH3+])CC[C@H]21 ZINC000227339437 173059270 /nfs/dbraw/zinc/05/92/70/173059270.db2.gz QANFDHHARPRJOT-NWDGAFQWSA-N 2 0 225.380 1.140 20 0 BDADRP C[N@@H+]1CC[C@@H](C[NH2+]C2CCSCC2)C1 ZINC000037484801 173115222 /nfs/dbraw/zinc/11/52/22/173115222.db2.gz SVQAENKFECCMCW-JTQLQIEISA-N 2 0 214.378 1.423 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@H]3CCC=CO3)C2)C1 ZINC000366478543 173142197 /nfs/dbraw/zinc/14/21/97/173142197.db2.gz FILJRSMAPIIFIJ-ZIAGYGMSSA-N 2 0 236.359 1.707 20 0 BDADRP C[NH2+]CCCC(=O)N(CC[NH+](C)C)CC(C)C ZINC000037825197 173342741 /nfs/dbraw/zinc/34/27/41/173342741.db2.gz PBEUNULMNNXZHA-UHFFFAOYSA-N 2 0 243.395 1.032 20 0 BDADRP C[NH2+]CCCC(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000295358030 173345134 /nfs/dbraw/zinc/34/51/34/173345134.db2.gz ZFLVTUBQYKVSGW-UHFFFAOYSA-N 2 0 235.331 1.344 20 0 BDADRP C[NH2+]CCCN(C)C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000124617979 173346264 /nfs/dbraw/zinc/34/62/64/173346264.db2.gz NXHRQTQYCZHTLU-ZDUSSCGKSA-N 2 0 249.358 1.144 20 0 BDADRP C[NH2+]CCN(C)[C@@H](C)c1cccc(OC)c1 ZINC000069800672 173353685 /nfs/dbraw/zinc/35/36/85/173353685.db2.gz BMRXPAMHFSOQFM-NSHDSACASA-N 2 0 222.332 1.907 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](CCOCC(C)C)C1 ZINC000234384667 173368228 /nfs/dbraw/zinc/36/82/28/173368228.db2.gz HVCIXODSYXWQGV-ZDUSSCGKSA-N 2 0 228.380 1.590 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@H]1CCCOC1 ZINC000252682035 173369211 /nfs/dbraw/zinc/36/92/11/173369211.db2.gz BMBHQQQCSRGEHT-NEPJUHHUSA-N 2 0 212.337 1.097 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)[C@@H](C)C[NH2+]C)cc1 ZINC000295331762 173388986 /nfs/dbraw/zinc/38/89/86/173388986.db2.gz XQOIVXZYBFSHQG-JTQLQIEISA-N 2 0 235.331 1.200 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)[C@@H](C)[NH2+]C2CC2)c1 ZINC000296241882 173389673 /nfs/dbraw/zinc/38/96/73/173389673.db2.gz CQVHVZOQOMHAGE-SNVBAGLBSA-N 2 0 247.342 1.485 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)[C@@H]2CCC[NH2+]C2)c1 ZINC000296578330 173389753 /nfs/dbraw/zinc/38/97/53/173389753.db2.gz WRQSXELRMQWITP-GFCCVEGCSA-N 2 0 247.342 1.344 20 0 BDADRP COCCCCC[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000309461457 174177523 /nfs/dbraw/zinc/17/75/23/174177523.db2.gz OXXHKGYWYHDTIC-NEPJUHHUSA-N 2 0 214.353 1.472 20 0 BDADRP COCCCCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357072318 174179860 /nfs/dbraw/zinc/17/98/60/174179860.db2.gz HDKRAXKPXKFDTA-STQMWFEESA-N 2 0 226.364 1.344 20 0 BDADRP COCCCC[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339435486 174193830 /nfs/dbraw/zinc/19/38/30/174193830.db2.gz CAKHANBUEAQPCW-CQSZACIVSA-N 2 0 240.391 1.831 20 0 BDADRP COCCC[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000082645400 174230397 /nfs/dbraw/zinc/23/03/97/174230397.db2.gz PDWIDPNMDMEYEO-QWRGUYRKSA-N 2 0 200.326 1.082 20 0 BDADRP COCC[N@H+](C)CCC[NH2+]CC1(SC)CC1 ZINC000336778872 174274668 /nfs/dbraw/zinc/27/46/68/174274668.db2.gz MOCMFJHAYVZUOQ-UHFFFAOYSA-N 2 0 246.420 1.440 20 0 BDADRP CCCN1CC[C@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000328187227 487628269 /nfs/dbraw/zinc/62/82/69/487628269.db2.gz OJFDQIZCGWTIQU-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP COc1ccc(C)cc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050247957 175075630 /nfs/dbraw/zinc/07/56/30/175075630.db2.gz HOVLOORNIWJZGY-GFCCVEGCSA-N 2 0 234.343 1.784 20 0 BDADRP COc1ccc(C[NH2+]C2CCC([NH3+])CC2)cn1 ZINC000094075281 175105850 /nfs/dbraw/zinc/10/58/50/175105850.db2.gz HTTFEHFHXALKCL-UHFFFAOYSA-N 2 0 235.331 1.450 20 0 BDADRP COc1ccc(C[NH2+][C@H](C)CCCC[NH3+])cn1 ZINC000336726953 175111151 /nfs/dbraw/zinc/11/11/51/175111151.db2.gz VQYKPIWYYPBEGN-LLVKDONJSA-N 2 0 237.347 1.697 20 0 BDADRP COc1ccccc1C[NH2+][C@@H](C)CCC[NH3+] ZINC000336647242 175330745 /nfs/dbraw/zinc/33/07/45/175330745.db2.gz FKRXIWIOBXSTCM-NSHDSACASA-N 2 0 222.332 1.912 20 0 BDADRP COc1ccccc1[C@H](C)[NH2+]CCC[NH3+] ZINC000037713177 175350572 /nfs/dbraw/zinc/35/05/72/175350572.db2.gz ZBFKOSPIFIQGMO-JTQLQIEISA-N 2 0 208.305 1.695 20 0 BDADRP COc1ccccc1[C@H](C)[NH2+]C[C@@H](C)C[NH3+] ZINC000336683485 175351118 /nfs/dbraw/zinc/35/11/18/175351118.db2.gz SGTRNJONQCYWNA-QWRGUYRKSA-N 2 0 222.332 1.941 20 0 BDADRP C[C@@H](c1ccccc1F)[N@H+](C)CCOCC[NH3+] ZINC000093232475 176025114 /nfs/dbraw/zinc/02/51/14/176025114.db2.gz MAGXZXFQBJYVEC-NSHDSACASA-N 2 0 240.322 1.794 20 0 BDADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCC[NH3+] ZINC000019424909 176071005 /nfs/dbraw/zinc/07/10/05/176071005.db2.gz LEZWHKPLPSRKCY-GFCCVEGCSA-N 2 0 241.379 1.106 20 0 BDADRP C[C@@H]1CCCC[C@@H]1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000309460971 176076515 /nfs/dbraw/zinc/07/65/15/176076515.db2.gz OWMHBMYXQLSWLO-MQYQWHSLSA-N 2 0 222.376 1.964 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000331948039 176185284 /nfs/dbraw/zinc/18/52/84/176185284.db2.gz GYYNWEHXFUIDFA-KJEVXHAQSA-N 2 0 245.370 1.719 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CCOCC[NH+](C)C)C[C@H]1C ZINC000300421018 176233042 /nfs/dbraw/zinc/23/30/42/176233042.db2.gz COVYQVZPPVGPAQ-MCIONIFRSA-N 2 0 242.407 1.979 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000305118723 176269518 /nfs/dbraw/zinc/26/95/18/176269518.db2.gz GIQLZURUDCBUDA-RFGFWPKPSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000356911282 176269863 /nfs/dbraw/zinc/26/98/63/176269863.db2.gz IRILDYYTWSEIKM-MCIONIFRSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCOCC(F)F ZINC000309816604 176271020 /nfs/dbraw/zinc/27/10/20/176271020.db2.gz VJORELOFYKOHML-NXEZZACHSA-N 2 0 236.306 1.198 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1=CCCOC1 ZINC000335606859 176271176 /nfs/dbraw/zinc/27/11/76/176271176.db2.gz YWAQYMGCMNPTKH-DGCLKSJQSA-N 2 0 224.348 1.263 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCc1ccccn1 ZINC000358310763 176271354 /nfs/dbraw/zinc/27/13/54/176271354.db2.gz WXRHNZLLGZYCOD-UKRRQHHQSA-N 2 0 247.386 1.944 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC(C)(C)O ZINC000083461207 176278105 /nfs/dbraw/zinc/27/81/05/176278105.db2.gz BJXZTTMCGWJRHH-GMTAPVOTSA-N 2 0 214.353 1.076 20 0 BDADRP C[C@H](CN[C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)[NH+](C)C ZINC000038087811 176278317 /nfs/dbraw/zinc/27/83/17/176278317.db2.gz XMVYJXFRDBCHPA-LPWJVIDDSA-N 2 0 227.396 1.255 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCn1cccn1 ZINC000042539464 176278738 /nfs/dbraw/zinc/27/87/38/176278738.db2.gz VCHCBWVGOFMDHZ-UPJWGTAASA-N 2 0 236.363 1.201 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCOC1 ZINC000037738674 176278930 /nfs/dbraw/zinc/27/89/30/176278930.db2.gz DLVHGFPLVJLPRA-NDBYEHHHSA-N 2 0 226.364 1.341 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1=CCCOC1 ZINC000348222938 176279024 /nfs/dbraw/zinc/27/90/24/176279024.db2.gz WSLQDOZHSFCYCA-BZPMIXESSA-N 2 0 238.375 1.651 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C1CCOCC1 ZINC000036908724 176279402 /nfs/dbraw/zinc/27/94/02/176279402.db2.gz XELTYXTXWBUVBC-NQBHXWOUSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000305856986 176340290 /nfs/dbraw/zinc/34/02/90/176340290.db2.gz MUNBLICMPSBPOV-RDBSUJKOSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCN2CCCC[C@H]12 ZINC000310059689 176341913 /nfs/dbraw/zinc/34/19/13/176341913.db2.gz JZDGJALIDLUTGY-ZOBORPQBSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CSC[C@H]1C ZINC000308446376 176354062 /nfs/dbraw/zinc/35/40/62/176354062.db2.gz ASDIPOUEEWVXHH-MXWKQRLJSA-N 2 0 216.394 1.668 20 0 BDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(N)=[NH2+])C1 ZINC000303264339 176360639 /nfs/dbraw/zinc/36/06/39/176360639.db2.gz SEUMNNWRBAVHOA-GHMZBOCLSA-N 2 0 226.368 1.228 20 0 BDADRP C[C@@H]1C[C@@H](C[N@H+](C)C[C@@H]2CCCOC2)CC[NH2+]1 ZINC000235379374 176367893 /nfs/dbraw/zinc/36/78/93/176367893.db2.gz FSOIHWPROGGADR-RDBSUJKOSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2C[C@@H](C)OC(C)(C)C2)CC[NH2+]1 ZINC000235382237 176368409 /nfs/dbraw/zinc/36/84/09/176368409.db2.gz QZMPJHMGKKFISC-UPJWGTAASA-N 2 0 240.391 1.874 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000336704206 176618239 /nfs/dbraw/zinc/61/82/39/176618239.db2.gz QMYRHPLZCISTIK-GMTAPVOTSA-N 2 0 214.353 1.253 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CCOc1ccccc1 ZINC000336671551 176620494 /nfs/dbraw/zinc/62/04/94/176620494.db2.gz SJIAJPOUSULCOW-GFCCVEGCSA-N 2 0 222.332 1.782 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1COc2ccccc2C1 ZINC000328493558 176620943 /nfs/dbraw/zinc/62/09/43/176620943.db2.gz TUGKRJLTAGSMEU-YPMHNXCESA-N 2 0 234.343 1.707 20 0 BDADRP C[C@H]([NH3+])CN(CCC[NH3+])Cc1ccccc1 ZINC000359271272 176761066 /nfs/dbraw/zinc/76/10/66/176761066.db2.gz GNSGUGJSDYOLHS-LBPRGKRZSA-N 2 0 221.348 1.185 20 0 BDADRP C[C@H](O)C[C@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000336682274 177002284 /nfs/dbraw/zinc/00/22/84/177002284.db2.gz DCSVBYNZANCCEL-MELADBBJSA-N 2 0 240.391 1.706 20 0 BDADRP C[C@H](O)[C@@H]1CCCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000336679957 177008307 /nfs/dbraw/zinc/00/83/07/177008307.db2.gz CHYPEJYCABLDJB-IHRRRGAJSA-N 2 0 240.391 1.706 20 0 BDADRP C[C@H](c1cccnc1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000222997500 177046163 /nfs/dbraw/zinc/04/61/63/177046163.db2.gz WRWVQBTZIYZCHS-MNOVXSKESA-N 2 0 205.305 1.423 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCNc1ccccn1 ZINC000361881823 177234151 /nfs/dbraw/zinc/23/41/51/177234151.db2.gz WXZISAPZROZEBG-QWHCGFSZSA-N 2 0 248.374 1.423 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(CCO)CC1 ZINC000309826640 177234298 /nfs/dbraw/zinc/23/42/98/177234298.db2.gz XKRVXRIKZLJJHS-NWDGAFQWSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cccc(CO)c1 ZINC000361184539 177234520 /nfs/dbraw/zinc/23/45/20/177234520.db2.gz SIWYSGKGQUFRHK-SWLSCSKDSA-N 2 0 248.370 1.609 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCC1CCOCC1 ZINC000310581811 177234989 /nfs/dbraw/zinc/23/49/89/177234989.db2.gz RJFSBSJZYGWUBI-GXTWGEPZSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H]1C[NH+](CCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000026515244 177246417 /nfs/dbraw/zinc/24/64/17/177246417.db2.gz VAXHDQLLHKKJFR-RYUDHWBXSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CC(C)(C)O1 ZINC000051919614 177254197 /nfs/dbraw/zinc/25/41/97/177254197.db2.gz OEKOXZOGQCYOCW-STQMWFEESA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000051918896 177254608 /nfs/dbraw/zinc/25/46/08/177254608.db2.gz PRXNNBAHHAVDAE-XQQFMLRXSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCSC[C@@H]2C)CC[NH2+]1 ZINC000235382011 177305554 /nfs/dbraw/zinc/30/55/54/177305554.db2.gz TWUNLLMMFUVFAB-WOPDTQHZSA-N 2 0 228.405 1.812 20 0 BDADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccccn1 ZINC000122297380 177324611 /nfs/dbraw/zinc/32/46/11/177324611.db2.gz BWUZLEDGYPBGCW-QWRGUYRKSA-N 2 0 205.305 1.251 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)c2nccn21 ZINC000345364583 177331494 /nfs/dbraw/zinc/33/14/94/177331494.db2.gz XTBTYIRRKSQQEO-NWDGAFQWSA-N 2 0 236.363 1.820 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)CCO1 ZINC000300415039 177334134 /nfs/dbraw/zinc/33/41/34/177334134.db2.gz RLKXJAFINOQZOV-XVIXHAIJSA-N 2 0 240.391 1.872 20 0 BDADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccc2c[nH]nc21 ZINC000334143249 177361195 /nfs/dbraw/zinc/36/11/95/177361195.db2.gz RAPFSMSVVRMCSR-WDEREUQCSA-N 2 0 244.342 1.732 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1ccncc1 ZINC000048261847 177371098 /nfs/dbraw/zinc/37/10/98/177371098.db2.gz VNXMALUFBDMGFM-IPYPFGDCSA-N 2 0 247.386 1.942 20 0 BDADRP C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1CCOCC[NH3+] ZINC000357077014 177375774 /nfs/dbraw/zinc/37/57/74/177375774.db2.gz IZONBHGLFBAUFS-ZFWWWQNUSA-N 2 0 248.370 1.840 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000082474956 487638811 /nfs/dbraw/zinc/63/88/11/487638811.db2.gz MEPYTLAKOFRHQH-AAEUAGOBSA-N 2 0 226.364 1.615 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H](CO)CC2CC2)CC1 ZINC000678775002 487641478 /nfs/dbraw/zinc/64/14/78/487641478.db2.gz WQHPCARFWGUQRL-AWEZNQCLSA-N 2 0 240.391 1.611 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C)CC1 ZINC000393873844 487644950 /nfs/dbraw/zinc/64/49/50/487644950.db2.gz CAJYJAFICOUKEV-KBPBESRZSA-N 2 0 242.407 1.810 20 0 BDADRP COCC(C)(C)C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000494352625 226264190 /nfs/dbraw/zinc/26/41/90/226264190.db2.gz VLRYLMVIPQAHKR-ZDUSSCGKSA-N 2 0 242.407 1.981 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400525576 226345581 /nfs/dbraw/zinc/34/55/81/226345581.db2.gz PZQXYSRMPNJULF-SRVKXCTJSA-N 2 0 214.353 1.125 20 0 BDADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000400720699 226350536 /nfs/dbraw/zinc/35/05/36/226350536.db2.gz OKAMMBNDENJFQS-STQMWFEESA-N 3 0 239.407 1.448 20 0 BDADRP C[C@H]([NH2+]CCC[C@@H]1CCOC1)[C@@H]1CCC[NH2+]1 ZINC000402174321 226366384 /nfs/dbraw/zinc/36/63/84/226366384.db2.gz XPRADVCYWJSPAB-XQQFMLRXSA-N 2 0 226.364 1.533 20 0 BDADRP CCC[C@@H]1C[NH2+]CCN1C[C@H]([NH3+])CC(C)C ZINC000414657979 487661239 /nfs/dbraw/zinc/66/12/39/487661239.db2.gz IRJUTTRTLYDONX-CHWSQXEVSA-N 2 0 227.396 1.434 20 0 BDADRP Cn1cncc1CCC[N@H+](C)CC(C)(C)C[NH3+] ZINC000314899688 487670184 /nfs/dbraw/zinc/67/01/84/487670184.db2.gz NDSXAOFDOILPHR-UHFFFAOYSA-N 2 0 238.379 1.269 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1CC[NH3+] ZINC000307648752 229217261 /nfs/dbraw/zinc/21/72/61/229217261.db2.gz FEBKFHNQFWGVDW-AWEZNQCLSA-N 2 0 247.386 1.542 20 0 BDADRP OCC[C@@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000087647739 487673705 /nfs/dbraw/zinc/67/37/05/487673705.db2.gz SPUSMGGZQOSHGB-ZDUSSCGKSA-N 2 0 226.364 1.223 20 0 BDADRP C[C@H](C[NH2+]CCN1CC[NH2+]CC1)C(C)(C)C ZINC000163005728 487677987 /nfs/dbraw/zinc/67/79/87/487677987.db2.gz BIQRRPVTOSCFCE-GFCCVEGCSA-N 2 0 227.396 1.163 20 0 BDADRP Cc1cncc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000228623021 487696278 /nfs/dbraw/zinc/69/62/78/487696278.db2.gz CDBBWFNSSBSNCQ-JSGCOSHPSA-N 2 0 233.359 1.807 20 0 BDADRP FCCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000088026318 487699671 /nfs/dbraw/zinc/69/96/71/487699671.db2.gz SOPUWIHJXOQWAU-NEPJUHHUSA-N 2 0 214.328 1.810 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000082645538 487704670 /nfs/dbraw/zinc/70/46/70/487704670.db2.gz PURVJFXYJLCJNY-AVGNSLFASA-N 2 0 226.364 1.615 20 0 BDADRP CO[C@H](C)C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902376060 584567850 /nfs/dbraw/zinc/56/78/50/584567850.db2.gz HXASIFBYSYSEIW-GHMZBOCLSA-N 2 0 214.353 1.389 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000384394275 487713063 /nfs/dbraw/zinc/71/30/63/487713063.db2.gz SCNHRSYMXOWVAQ-OLZOCXBDSA-N 2 0 242.407 1.715 20 0 BDADRP CC(C)C[C@H](C[NH3+])CC(=O)NCCC[NH+](C)C ZINC000088275875 487716857 /nfs/dbraw/zinc/71/68/57/487716857.db2.gz JHAYVEBMOLLQEV-LBPRGKRZSA-N 2 0 243.395 1.065 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](CCOCc2ccccc2)C1 ZINC000309807854 487724440 /nfs/dbraw/zinc/72/44/40/487724440.db2.gz LUJKCQVXUFTMHW-HNNXBMFYSA-N 2 0 248.370 1.745 20 0 BDADRP COC[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000251023862 487746643 /nfs/dbraw/zinc/74/66/43/487746643.db2.gz ZXOFPQQLHQYSMJ-RWMBFGLXSA-N 2 0 226.364 1.485 20 0 BDADRP COCC[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000251269228 487752281 /nfs/dbraw/zinc/75/22/81/487752281.db2.gz XFOAUPHLXATCJG-MELADBBJSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@](C)(C[NH2+]CCC[NH+](C)C)OC ZINC000234097583 487760575 /nfs/dbraw/zinc/76/05/75/487760575.db2.gz IWIPQLFCDJPILH-LLVKDONJSA-N 2 0 202.342 1.343 20 0 BDADRP [NH3+]CCC1CC[NH+](CCc2cccnc2)CC1 ZINC000070188604 487791627 /nfs/dbraw/zinc/79/16/27/487791627.db2.gz RUFNQBAXUAULMK-UHFFFAOYSA-N 2 0 233.359 1.685 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCOC2)C1 ZINC000459742395 487793462 /nfs/dbraw/zinc/79/34/62/487793462.db2.gz WDJVTHZIOPJMHZ-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCCOC3)CC[C@H]21 ZINC000675983300 487798301 /nfs/dbraw/zinc/79/83/01/487798301.db2.gz PBERLFULPMERJY-MGPQQGTHSA-N 2 0 238.375 1.582 20 0 BDADRP CO[C@@H](C)C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000224011104 487815063 /nfs/dbraw/zinc/81/50/63/487815063.db2.gz IAHRMIUQCXLUEJ-AGIUHOORSA-N 2 0 228.380 1.922 20 0 BDADRP CCO[C@H]1C[C@@H]([N@H+](C)CCC[NH3+])C12CCC2 ZINC000414697662 487818022 /nfs/dbraw/zinc/81/80/22/487818022.db2.gz CPYGIKOGVPLZCR-NEPJUHHUSA-N 2 0 226.364 1.615 20 0 BDADRP Cc1cnccc1OC1CC[NH+](CCC[NH3+])CC1 ZINC000414735113 487820176 /nfs/dbraw/zinc/82/01/76/487820176.db2.gz GKQWSCXKFKETNY-UHFFFAOYSA-N 2 0 249.358 1.582 20 0 BDADRP CCC1CCC([N@H+](CCO)CCC[NH3+])CC1 ZINC000414755273 487821381 /nfs/dbraw/zinc/82/13/81/487821381.db2.gz OTFAOJCDJNCNAF-UHFFFAOYSA-N 2 0 228.380 1.598 20 0 BDADRP Cc1ccc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)cn1 ZINC000414899645 487827874 /nfs/dbraw/zinc/82/78/74/487827874.db2.gz CQBWTRMKBCUTKI-CQSZACIVSA-N 2 0 233.359 1.869 20 0 BDADRP COC[C@H](CC(C)C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414925783 487829341 /nfs/dbraw/zinc/82/93/41/487829341.db2.gz MDAORNQLVBOIFF-UPJWGTAASA-N 2 0 228.380 1.907 20 0 BDADRP CCCn1cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000414929581 487830166 /nfs/dbraw/zinc/83/01/66/487830166.db2.gz RUEGJSWWKXRKQL-OLZOCXBDSA-N 2 0 236.363 1.653 20 0 BDADRP CC(C)(CO)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000252722464 487831002 /nfs/dbraw/zinc/83/10/02/487831002.db2.gz QPEUSBGGYGHMHJ-JHJVBQTASA-N 2 0 240.391 1.515 20 0 BDADRP COCCCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252724369 487831209 /nfs/dbraw/zinc/83/12/09/487831209.db2.gz XCGTXMZQEZCTMS-UONOGXRCSA-N 2 0 240.391 1.877 20 0 BDADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@](C)([NH3+])CCC)C1 ZINC000389737943 487832516 /nfs/dbraw/zinc/83/25/16/487832516.db2.gz LFSZXPAVXYCAOZ-AAEUAGOBSA-N 2 0 241.379 1.104 20 0 BDADRP CCc1nn(C)cc1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252792464 487834297 /nfs/dbraw/zinc/83/42/97/487834297.db2.gz VNXORVDSBRUFLW-QWRGUYRKSA-N 2 0 236.363 1.152 20 0 BDADRP [NH3+]CCC[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000415059232 487835213 /nfs/dbraw/zinc/83/52/13/487835213.db2.gz UUXRGULQBHSRMC-ZDUSSCGKSA-N 3 0 221.348 1.405 20 0 BDADRP CC(C)c1nc(CC[NH2+]CCC[NH3+])cs1 ZINC000415122083 487838436 /nfs/dbraw/zinc/83/84/36/487838436.db2.gz ZPKUUAMGFLYEBZ-UHFFFAOYSA-N 2 0 227.377 1.747 20 0 BDADRP CC(C)[C@@](C)(C[NH3+])[NH2+]CCOC(F)F ZINC000852741663 588698322 /nfs/dbraw/zinc/69/83/22/588698322.db2.gz YVUQTAMYJOOFEC-SECBINFHSA-N 2 0 210.268 1.189 20 0 BDADRP [NH3+]CC[C@H]1CCC[N@H+](CCOC(F)F)C1 ZINC000852748441 588699550 /nfs/dbraw/zinc/69/95/50/588699550.db2.gz VVKHQWKKOYFRDJ-SECBINFHSA-N 2 0 222.279 1.286 20 0 BDADRP COC[C@H](C)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000253126518 487855475 /nfs/dbraw/zinc/85/54/75/487855475.db2.gz RLWNKAQYLLBYLB-HZSPNIEDSA-N 2 0 240.391 1.733 20 0 BDADRP COCCC(C)(C)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000234691288 487856585 /nfs/dbraw/zinc/85/65/85/487856585.db2.gz DQKWXTDPTDQLAK-NEPJUHHUSA-N 2 0 228.380 1.909 20 0 BDADRP [NH3+]CCC[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000666689054 487860513 /nfs/dbraw/zinc/86/05/13/487860513.db2.gz XDXQFFLIUFEFNZ-CYBMUJFWSA-N 2 0 220.316 1.878 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000564456830 322957028 /nfs/dbraw/zinc/95/70/28/322957028.db2.gz ZSGTVUCMWVWNBK-VHSXEESVSA-N 2 0 247.342 1.145 20 0 BDADRP CO[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000666699880 487863272 /nfs/dbraw/zinc/86/32/72/487863272.db2.gz BWEBPEGPQDSMNZ-MELADBBJSA-N 2 0 240.391 1.875 20 0 BDADRP C[NH+](C)CCCCNC(=O)CCCC[NH+](C)C ZINC000518018845 322959355 /nfs/dbraw/zinc/95/93/55/322959355.db2.gz CAWZQKMHAHHIFL-UHFFFAOYSA-N 2 0 243.395 1.176 20 0 BDADRP CC(C)([NH3+])C[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000666751860 487871781 /nfs/dbraw/zinc/87/17/81/487871781.db2.gz IYOIYHJCARVHFH-NSHDSACASA-N 2 0 234.343 1.880 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@@H](C)O ZINC000386771028 487894059 /nfs/dbraw/zinc/89/40/59/487894059.db2.gz KJMPQZXULMVDHG-LOWVWBTDSA-N 2 0 228.380 1.466 20 0 BDADRP Cc1cc(C)n(CC[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)n1 ZINC000386827699 487897163 /nfs/dbraw/zinc/89/71/63/487897163.db2.gz VGXYXZXAODSCKA-WCQYABFASA-N 2 0 236.363 1.312 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666993843 487902020 /nfs/dbraw/zinc/90/20/20/487902020.db2.gz NXTKYPWVADBOKJ-IJLUTSLNSA-N 2 0 208.349 1.907 20 0 BDADRP COC[C@H](C)C[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000666921639 487905948 /nfs/dbraw/zinc/90/59/48/487905948.db2.gz KNQKCVLWVXIHKE-WOPDTQHZSA-N 2 0 214.353 1.376 20 0 BDADRP Oc1cccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c1 ZINC000666950960 487913008 /nfs/dbraw/zinc/91/30/08/487913008.db2.gz UBZKMXMPVICAAP-CYBMUJFWSA-N 2 0 232.327 1.624 20 0 BDADRP C1[C@H]([NH2+][C@@H]2CCCSC2)C12CC[NH2+]CC2 ZINC000666953508 487914977 /nfs/dbraw/zinc/91/49/77/487914977.db2.gz ADWQRRFONQKXND-MNOVXSKESA-N 2 0 226.389 1.614 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+][C@H]2CC23CC[NH2+]CC3)C1 ZINC000666954067 487915902 /nfs/dbraw/zinc/91/59/02/487915902.db2.gz PAXKPPWMUZROHG-WOPDTQHZSA-N 2 0 208.349 1.907 20 0 BDADRP COCC[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404296308 487917443 /nfs/dbraw/zinc/91/74/43/487917443.db2.gz NZYGJVJYSQZYJF-MNOVXSKESA-N 2 0 200.326 1.082 20 0 BDADRP C[N@H+](CCC[NH3+])Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652335744 487924335 /nfs/dbraw/zinc/92/43/35/487924335.db2.gz DNOPPDOQMAKKHJ-UHFFFAOYSA-N 3 0 233.359 1.113 20 0 BDADRP C[C@@H](Cn1cccn1)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995024 487924840 /nfs/dbraw/zinc/92/48/40/487924840.db2.gz AJPUQLYFYVDWIY-STQMWFEESA-N 2 0 248.374 1.536 20 0 BDADRP C[NH+](C)C1CN(c2cc[nH+]c3c(O)cccc23)C1 ZINC000682241055 487933547 /nfs/dbraw/zinc/93/35/47/487933547.db2.gz GXMWWJHHLILVJK-UHFFFAOYSA-N 2 0 243.310 1.691 20 0 BDADRP CC[C@@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000083847079 487944020 /nfs/dbraw/zinc/94/40/20/487944020.db2.gz UGYUDKIMBYTRDC-PSEXLTFBSA-N 2 0 226.364 1.362 20 0 BDADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)C(C)C ZINC000122790909 322995706 /nfs/dbraw/zinc/99/57/06/322995706.db2.gz YFMGKBDCDZWMOL-QWHCGFSZSA-N 2 0 230.396 1.977 20 0 BDADRP CC[NH2+]CCCNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000561182825 322996612 /nfs/dbraw/zinc/99/66/12/322996612.db2.gz UGMRQQMCDHUPTE-ZDUSSCGKSA-N 2 0 249.358 1.192 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000566481113 323001163 /nfs/dbraw/zinc/00/11/63/323001163.db2.gz ADPCIRKDIGVAQC-XDQVBPFNSA-N 2 0 237.391 1.234 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000566481115 323001250 /nfs/dbraw/zinc/00/12/50/323001250.db2.gz ADPCIRKDIGVAQC-ZOBORPQBSA-N 2 0 237.391 1.234 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248169665 323016294 /nfs/dbraw/zinc/01/62/94/323016294.db2.gz UNGKBHREGIHFAV-WUHRBBMRSA-N 2 0 228.380 1.466 20 0 BDADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000567638842 323034235 /nfs/dbraw/zinc/03/42/35/323034235.db2.gz LHJBETRPRYNYQT-ZDUSSCGKSA-N 2 0 248.374 1.387 20 0 BDADRP CC[NH2+]CCCN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000562956239 323034919 /nfs/dbraw/zinc/03/49/19/323034919.db2.gz KRWXDGVYENDZEO-RWMBFGLXSA-N 2 0 227.396 1.304 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CC1(O)Cc2ccccc2C1 ZINC000562959544 323035292 /nfs/dbraw/zinc/03/52/92/323035292.db2.gz XHUWGVOFGAJPQV-GFCCVEGCSA-N 2 0 248.370 1.233 20 0 BDADRP CC1=CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000569833050 323042056 /nfs/dbraw/zinc/04/20/56/323042056.db2.gz ODYLUMLUTGRODZ-KBPBESRZSA-N 2 0 238.375 1.532 20 0 BDADRP C[NH2+]C[C@H](C)c1nc([C@H]([NH3+])CC(C)C)no1 ZINC000569971234 323046121 /nfs/dbraw/zinc/04/61/21/323046121.db2.gz MXRIHOGKBMEVIG-DTWKUNHWSA-N 2 0 226.324 1.438 20 0 BDADRP COC[C@H](C)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000570092895 323050008 /nfs/dbraw/zinc/05/00/08/323050008.db2.gz AVNRUJDLJLZNEM-CHWSQXEVSA-N 2 0 226.364 1.344 20 0 BDADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccoc1 ZINC000570153688 323051088 /nfs/dbraw/zinc/05/10/88/323051088.db2.gz YCRPOLCYFFUPCA-GFCCVEGCSA-N 2 0 237.347 1.226 20 0 BDADRP COC[C@@H](C)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000570264931 323054211 /nfs/dbraw/zinc/05/42/11/323054211.db2.gz JCFQWOGVBBALHG-QWHCGFSZSA-N 2 0 226.364 1.297 20 0 BDADRP COC[C@@H](C)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000570264932 323054309 /nfs/dbraw/zinc/05/43/09/323054309.db2.gz JCFQWOGVBBALHG-STQMWFEESA-N 2 0 226.364 1.297 20 0 BDADRP COC[C@H](C)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000570264929 323054341 /nfs/dbraw/zinc/05/43/41/323054341.db2.gz JCFQWOGVBBALHG-CHWSQXEVSA-N 2 0 226.364 1.297 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCOCC1CCC1 ZINC000570389079 323058136 /nfs/dbraw/zinc/05/81/36/323058136.db2.gz OWHCBUHZWOMDQV-OLZOCXBDSA-N 2 0 226.364 1.520 20 0 BDADRP Cn1ncc2ccc(C[NH2+]C3CC[NH2+]CC3)cc21 ZINC000570440515 323059461 /nfs/dbraw/zinc/05/94/61/323059461.db2.gz WUSUYTCPVMGBRQ-UHFFFAOYSA-N 2 0 244.342 1.415 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]CC2(O)CCC2)C1 ZINC000567683544 323059743 /nfs/dbraw/zinc/05/97/43/323059743.db2.gz QRVXOGAZPKTSTG-NWDGAFQWSA-N 2 0 226.364 1.364 20 0 BDADRP CC[C@H]([NH2+]CCC[NH2+]C(C)C)[C@@H]1CCOC1 ZINC000570562025 323063170 /nfs/dbraw/zinc/06/31/70/323063170.db2.gz HDLXEQIRPWFMDR-OLZOCXBDSA-N 2 0 228.380 1.779 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2)CCO1 ZINC000570570952 323063540 /nfs/dbraw/zinc/06/35/40/323063540.db2.gz VIUFWIWALWIVMA-FZMZJTMJSA-N 2 0 234.343 1.802 20 0 BDADRP Cc1cc(C[C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)[nH]n1 ZINC000570739976 323069108 /nfs/dbraw/zinc/06/91/08/323069108.db2.gz XIIGTSLJJOXZOQ-DLOVCJGASA-N 2 0 236.363 1.509 20 0 BDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000570928972 323074552 /nfs/dbraw/zinc/07/45/52/323074552.db2.gz WZANZPXKLNVIJS-WQAKAFBOSA-N 2 0 247.342 1.060 20 0 BDADRP CC[NH2+]CC1CC[NH+](C[C@H](C)COC)CC1 ZINC000163550851 323077004 /nfs/dbraw/zinc/07/70/04/323077004.db2.gz DYRGPQHKUKXQGA-LBPRGKRZSA-N 2 0 228.380 1.590 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)CSC)C1 ZINC000562984713 323078119 /nfs/dbraw/zinc/07/81/19/323078119.db2.gz FMFLQCHANWEYTF-NEPJUHHUSA-N 2 0 246.420 1.032 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]CCCC(C)(F)F ZINC000390066180 323083296 /nfs/dbraw/zinc/08/32/96/323083296.db2.gz BEPWVJBLROCHFY-SNVBAGLBSA-N 2 0 238.322 1.765 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000563135788 323095013 /nfs/dbraw/zinc/09/50/13/323095013.db2.gz SPFUUKWWJHXGPH-UHFFFAOYSA-N 3 0 247.386 1.752 20 0 BDADRP Cc1nn(C)cc1[C@H](C)[NH2+]CC1CC[NH2+]CC1 ZINC000571047303 323105358 /nfs/dbraw/zinc/10/53/58/323105358.db2.gz RAOJBZRLKJKIPO-JTQLQIEISA-N 2 0 236.363 1.379 20 0 BDADRP CC(=O)NCCC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000394764600 323108158 /nfs/dbraw/zinc/10/81/58/323108158.db2.gz PFWGAZVJQPKTNL-UONOGXRCSA-N 2 0 247.342 1.247 20 0 BDADRP OC1(C[NH2+]C2CC[NH+](CC3CC3)CC2)CCC1 ZINC000531715639 323112143 /nfs/dbraw/zinc/11/21/43/323112143.db2.gz WXPOEQPSMHWFGH-UHFFFAOYSA-N 2 0 238.375 1.365 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)[C@H](C)O1 ZINC000563423633 323124334 /nfs/dbraw/zinc/12/43/34/323124334.db2.gz HRXLUPGPCDOHRH-NZEXEKPDSA-N 2 0 226.364 1.659 20 0 BDADRP CN(C)c1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000563429680 323125071 /nfs/dbraw/zinc/12/50/71/323125071.db2.gz KYRBGVAFJAIGHO-OLZOCXBDSA-N 2 0 248.374 1.507 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCCO1 ZINC000563425467 323126093 /nfs/dbraw/zinc/12/60/93/323126093.db2.gz QXBVFTYWLSFXEQ-NDBYEHHHSA-N 2 0 226.364 1.804 20 0 BDADRP O[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)C[NH+]1CCCC1 ZINC000571346393 323142273 /nfs/dbraw/zinc/14/22/73/323142273.db2.gz JKYXLPVKSKUELS-REWJHTLYSA-N 2 0 238.375 1.221 20 0 BDADRP CN(Cc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CC[NH2+]C1 ZINC000571573253 323148138 /nfs/dbraw/zinc/14/81/38/323148138.db2.gz XTXKUACSRMURDP-OAHLLOKOSA-N 2 0 245.370 1.126 20 0 BDADRP COC(C)(C)C[N@H+](C)CCn1ccnc1C ZINC000535034802 323164100 /nfs/dbraw/zinc/16/41/00/323164100.db2.gz JXDXKUWECHTDRX-UHFFFAOYSA-N 2 0 225.336 1.548 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC[NH+](C)C)[C@H](C)O1 ZINC000395014600 323185100 /nfs/dbraw/zinc/18/51/00/323185100.db2.gz NBFXKBCXZGOVLG-VWYCJHECSA-N 2 0 200.326 1.094 20 0 BDADRP C[C@H](CCCO)[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000395138431 323188763 /nfs/dbraw/zinc/18/87/63/323188763.db2.gz SZFQEZXVJQQKNT-WOPDTQHZSA-N 2 0 214.353 1.268 20 0 BDADRP COCCC1CC[NH+]([C@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000530209404 323209377 /nfs/dbraw/zinc/20/93/77/323209377.db2.gz HENUZDRJAUKZOO-OCCSQVGLSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H]([NH2+]CC12CC(C1)CO2)[C@@H]1CCC[NH2+]C1 ZINC000530218331 323217609 /nfs/dbraw/zinc/21/76/09/323217609.db2.gz FMSDWQNSUOJTBO-GMKTYKIGSA-N 2 0 224.348 1.143 20 0 BDADRP Cc1ncccc1C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000530219382 323218045 /nfs/dbraw/zinc/21/80/45/323218045.db2.gz JCJQXBKSBMQQOV-FZMZJTMJSA-N 2 0 233.359 1.868 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)C(C)(C)C ZINC000572497339 324134062 /nfs/dbraw/zinc/13/40/62/324134062.db2.gz LPQVIYNSHPYTGX-GRYCIOLGSA-N 2 0 228.380 1.907 20 0 BDADRP CC[C@@H](C)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000192779969 324199912 /nfs/dbraw/zinc/19/99/12/324199912.db2.gz DXMVTNVTNDFICB-CYBMUJFWSA-N 2 0 241.423 1.743 20 0 BDADRP C[C@@H](N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1CCC[NH2+]1 ZINC000530215867 324531080 /nfs/dbraw/zinc/53/10/80/324531080.db2.gz JVIIZJCKGIEKLG-GRYCIOLGSA-N 2 0 223.364 1.001 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000530220018 324538110 /nfs/dbraw/zinc/53/81/10/324538110.db2.gz AYDQNHJYUZHNFU-UQPICLANSA-N 2 0 214.353 1.514 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H]1Cc2ccccc2NC1=O ZINC000530224861 324544739 /nfs/dbraw/zinc/54/47/39/324544739.db2.gz MWNTVBCSLSBIEW-MFKMUULPSA-N 2 0 247.342 1.267 20 0 BDADRP C[C@@H](C[NH+](C)C)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000130157729 325018952 /nfs/dbraw/zinc/01/89/52/325018952.db2.gz MTROGMRTUGCPBV-TUAOUCFPSA-N 2 0 213.369 1.009 20 0 BDADRP C[NH+](C)CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000130493204 325058112 /nfs/dbraw/zinc/05/81/12/325058112.db2.gz IELPFAOPXOTICH-UHFFFAOYSA-N 2 0 249.358 1.040 20 0 BDADRP OC1(C[NH2+][C@H]2CCN3CCCC[C@@H]23)CCC1 ZINC000131116987 325118348 /nfs/dbraw/zinc/11/83/48/325118348.db2.gz HCFYXYCCDMJBNF-RYUDHWBXSA-N 2 0 224.348 1.118 20 0 BDADRP C[C@@H]([NH2+]CC1([NH3+])CCCC1)[C@@H]1CCOC1 ZINC000158625185 487969255 /nfs/dbraw/zinc/96/92/55/487969255.db2.gz PZPGLRAVRJWYJV-GHMZBOCLSA-N 2 0 212.337 1.273 20 0 BDADRP C([NH2+][C@H]1CCC12CCOCC2)[C@H]1CCC[NH2+]C1 ZINC000564791796 325809573 /nfs/dbraw/zinc/80/95/73/325809573.db2.gz HORZWISPGZLWIK-STQMWFEESA-N 2 0 238.375 1.535 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N1CCC(CC[NH3+])CC1 ZINC000565150551 325862379 /nfs/dbraw/zinc/86/23/79/325862379.db2.gz LSGPZEGNIUHOBA-ZDUSSCGKSA-N 2 0 241.379 1.091 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+][C@H]2C[C@@H]2C(F)F)C1 ZINC000565430173 325910412 /nfs/dbraw/zinc/91/04/12/325910412.db2.gz CQTFCUVBAVTZIH-JBDRJPRFSA-N 2 0 204.264 1.500 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[C@H]2F)C1 ZINC000565549777 325927132 /nfs/dbraw/zinc/92/71/32/325927132.db2.gz RYMGLNWJUBUONJ-DBIOUOCHSA-N 2 0 200.301 1.737 20 0 BDADRP CC[NH2+]CCCN[C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000565827610 325960694 /nfs/dbraw/zinc/96/06/94/325960694.db2.gz MAQQHXBJARFZOF-NEPJUHHUSA-N 2 0 213.369 1.106 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CO[C@@H](C)C2)[C@@H](C)C1 ZINC000566216245 326016440 /nfs/dbraw/zinc/01/64/40/326016440.db2.gz XDIOLUBRNQEHKK-CYDGBPFRSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cnc(N)s2)CC1 ZINC000566226142 326018284 /nfs/dbraw/zinc/01/82/84/326018284.db2.gz YQXKMDZOWYNVNE-MRVPVSSYSA-N 2 0 240.376 1.115 20 0 BDADRP FC1(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000566229862 326018318 /nfs/dbraw/zinc/01/83/18/326018318.db2.gz PSTFNOIJHVZVNW-NWDGAFQWSA-N 2 0 226.339 1.810 20 0 BDADRP FC1(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000566229864 326019005 /nfs/dbraw/zinc/01/90/05/326019005.db2.gz PSTFNOIJHVZVNW-VXGBXAGGSA-N 2 0 226.339 1.810 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NCC[NH2+]C(C)(C)C ZINC000566230268 326019396 /nfs/dbraw/zinc/01/93/96/326019396.db2.gz WZCMFSQWDZCLMO-VHSXEESVSA-N 2 0 201.358 1.090 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCC2=CC[NH2+]CC2)C1 ZINC000566483794 326051812 /nfs/dbraw/zinc/05/18/12/326051812.db2.gz WWGGBJBOPQGUOL-QWHCGFSZSA-N 3 0 223.364 1.156 20 0 BDADRP CC[NH+](CC)CCCN1CC[NH2+]C[C@H]1C(F)F ZINC000567235511 326146481 /nfs/dbraw/zinc/14/64/81/326146481.db2.gz NARFBKPMBSPFIM-NSHDSACASA-N 2 0 249.349 1.257 20 0 BDADRP CCN(C)C[C@@H](O)C[N@H+](C[C@H](C)OC)C(C)C ZINC000567246704 326149653 /nfs/dbraw/zinc/14/96/53/326149653.db2.gz SDTKSAMDVXLIGV-QWHCGFSZSA-N 2 0 246.395 1.044 20 0 BDADRP C[C@H](CCCC[NH3+])NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000567268651 326154084 /nfs/dbraw/zinc/15/40/84/326154084.db2.gz NQGPKOVUGUMTAC-WOPDTQHZSA-N 2 0 241.379 1.008 20 0 BDADRP COCCC[C@@H](C)[NH2+]CCC[NH2+]C(C)C ZINC000567639073 326236136 /nfs/dbraw/zinc/23/61/36/326236136.db2.gz QIJRIZFQKCAVAC-GFCCVEGCSA-N 2 0 216.369 1.779 20 0 BDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH3+] ZINC000567837949 326267142 /nfs/dbraw/zinc/26/71/42/326267142.db2.gz DOSGOMTYFMKLFW-RYUDHWBXSA-N 2 0 241.379 1.103 20 0 BDADRP [NH3+][C@H]1CCC[C@H](C[NH2+]CC2(F)CC2)C1 ZINC000568053501 326301307 /nfs/dbraw/zinc/30/13/07/326301307.db2.gz JRAZJZMFSMCUEW-UWVGGRQHSA-N 2 0 200.301 1.596 20 0 BDADRP COCC[C@@H](C)[NH2+]CCCC[NH+]1CCOCC1 ZINC000158837258 326344459 /nfs/dbraw/zinc/34/44/59/326344459.db2.gz PMISBFVJYDLZFE-CYBMUJFWSA-N 2 0 244.379 1.113 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)[C@H]2CC[NH2+][C@@H]2C)c1 ZINC000568864492 326379862 /nfs/dbraw/zinc/37/98/62/326379862.db2.gz BGOBVPDEHHFTDY-MFKMUULPSA-N 2 0 247.342 1.390 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@]2(C)CO)CC[NH2+]1 ZINC000569199961 326394641 /nfs/dbraw/zinc/39/46/41/326394641.db2.gz DDLQPYRTCAYQHD-FRRDWIJNSA-N 2 0 226.364 1.221 20 0 BDADRP Cc1ccc(CC[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cn1 ZINC000569228142 326396325 /nfs/dbraw/zinc/39/63/25/326396325.db2.gz IGGLIGICCVQAIJ-IUODEOHRSA-N 2 0 247.386 1.910 20 0 BDADRP COC[C@H](C)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000163539307 326403147 /nfs/dbraw/zinc/40/31/47/326403147.db2.gz AFODEZAYXPQUHN-MNOVXSKESA-N 2 0 214.353 1.328 20 0 BDADRP COC[C@H](C)C[NH+]1CCC(CC[NH3+])CC1 ZINC000163542726 326403408 /nfs/dbraw/zinc/40/34/08/326403408.db2.gz QDKPOHMKQGAYSY-LLVKDONJSA-N 2 0 214.353 1.330 20 0 BDADRP COCC1(C[NH2+][C@H](C)CC[NH+](C)C)CCC1 ZINC000309523824 487984951 /nfs/dbraw/zinc/98/49/51/487984951.db2.gz AVTOCBKPNXVNTL-GFCCVEGCSA-N 2 0 228.380 1.733 20 0 BDADRP C[N@H+](CCC[NH3+])C[C@@H]1CCOc2ccccc21 ZINC000158990899 487985438 /nfs/dbraw/zinc/98/54/38/487985438.db2.gz OHOMVCNIBPZQRT-LBPRGKRZSA-N 2 0 234.343 1.833 20 0 BDADRP CC[C@@H](C)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000682074986 487989693 /nfs/dbraw/zinc/98/96/93/487989693.db2.gz ZLDAVZOBNKKBPF-KGLIPLIRSA-N 2 0 239.407 1.497 20 0 BDADRP Cc1ccc(CN(C)C[C@@H](O)C[NH3+])c(Cl)c1 ZINC000309603540 487995344 /nfs/dbraw/zinc/99/53/44/487995344.db2.gz YDUQPJYIRFSIDK-NSHDSACASA-N 2 0 242.750 1.400 20 0 BDADRP C[C@@H]1C[C@@H]1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000488318916 533714401 /nfs/dbraw/zinc/71/44/01/533714401.db2.gz BRQJTNINRNGEBP-FRRDWIJNSA-N 2 0 210.365 1.916 20 0 BDADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC(C)(C)CO ZINC000135082298 488013749 /nfs/dbraw/zinc/01/37/49/488013749.db2.gz GLLLMQMEFQCJKF-STQMWFEESA-N 2 0 242.407 1.905 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000401005698 488015829 /nfs/dbraw/zinc/01/58/29/488015829.db2.gz DLWSWZWNLAHZDW-IGQOVBAYSA-N 2 0 238.375 1.389 20 0 BDADRP CC[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000229966947 488015939 /nfs/dbraw/zinc/01/59/39/488015939.db2.gz VTIFRUBFSBJSOY-FVCCEPFGSA-N 2 0 226.364 1.268 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C(C)C ZINC000401061366 488024942 /nfs/dbraw/zinc/02/49/42/488024942.db2.gz GJMUTNAZVLBELD-REWJHTLYSA-N 2 0 240.391 1.635 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401067999 488025451 /nfs/dbraw/zinc/02/54/51/488025451.db2.gz MDYQOSWEGOJVCF-IEECTRCBSA-N 2 0 226.364 1.124 20 0 BDADRP CC(C)CN(CC[NH+](C)C)C(=O)CC(C)(C)[NH3+] ZINC000084182640 488034041 /nfs/dbraw/zinc/03/40/41/488034041.db2.gz VVOVIHPQEUJPBT-UHFFFAOYSA-N 2 0 243.395 1.160 20 0 BDADRP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)C[N@H+](C)C(C)C ZINC000388608807 488049508 /nfs/dbraw/zinc/04/95/08/488049508.db2.gz XBHSNMJBVILWJH-RDBSUJKOSA-N 2 0 242.407 1.856 20 0 BDADRP C[C@H](O)C1CC[NH+](Cc2cnc3n2CCC3)CC1 ZINC000667585932 488053376 /nfs/dbraw/zinc/05/33/76/488053376.db2.gz GJJOQDVGORBKOP-NSHDSACASA-N 2 0 249.358 1.422 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656200960 488066846 /nfs/dbraw/zinc/06/68/46/488066846.db2.gz GSXUHWCEVMZHFF-FQUUOJAGSA-N 2 0 239.407 1.719 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2CSC2)C1 ZINC000656269237 488073522 /nfs/dbraw/zinc/07/35/22/488073522.db2.gz MXVGFVYNDBJHJV-WAAGHKOSSA-N 2 0 200.351 1.032 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000389123564 488077268 /nfs/dbraw/zinc/07/72/68/488077268.db2.gz CPPJTPVTXKOURK-AVGNSLFASA-N 2 0 225.380 1.330 20 0 BDADRP Cc1ccc(CN2CC[C@]3(C2)CCC[NH2+]C3)cn1 ZINC000257703303 488085155 /nfs/dbraw/zinc/08/51/55/488085155.db2.gz QPTCCCWZMYXFTH-OAHLLOKOSA-N 2 0 245.370 1.966 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000389467090 488097739 /nfs/dbraw/zinc/09/77/39/488097739.db2.gz UBSRJWWTUICBRL-RDBSUJKOSA-N 2 0 239.407 1.578 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)[C@H]2CC[NH2+][C@@H]2C)c1 ZINC000669509260 488108823 /nfs/dbraw/zinc/10/88/23/488108823.db2.gz VWNSTDKCOCIONG-MFKMUULPSA-N 2 0 247.342 1.343 20 0 BDADRP [NH3+]Cc1cccc(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000669508355 488109364 /nfs/dbraw/zinc/10/93/64/488109364.db2.gz NSOANRKHPKFAJX-VXGBXAGGSA-N 2 0 247.342 1.601 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CO[C@H](C3CC3)C2)C1 ZINC000667792812 488122430 /nfs/dbraw/zinc/12/24/30/488122430.db2.gz JYHIIETUSBQHAU-BNOWGMLFSA-N 2 0 238.375 1.485 20 0 BDADRP CN(C(=O)CCC(C)(C)[NH3+])C1CC[NH+](C)CC1 ZINC000070086511 487537946 /nfs/dbraw/zinc/53/79/46/487537946.db2.gz HMIHSDVZSZZJGD-UHFFFAOYSA-N 2 0 241.379 1.057 20 0 BDADRP CCC[NH+]1CCC([N@H+](C)C[C@H](C)CO)CC1 ZINC000121133933 490077006 /nfs/dbraw/zinc/07/70/06/490077006.db2.gz DEHKDNPKYWTONO-LBPRGKRZSA-N 2 0 228.380 1.421 20 0 BDADRP Fc1ccc(CN[C@@H]2CC[NH2+]C2)cc1Cl ZINC000086729814 487540212 /nfs/dbraw/zinc/54/02/12/487540212.db2.gz RMPRUTZQGZLVBE-SECBINFHSA-N 2 0 228.698 1.931 20 0 BDADRP CC(C)n1ncnc1CN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000216131291 487542432 /nfs/dbraw/zinc/54/24/32/487542432.db2.gz PDGMRZNSKWXQKP-WDEREUQCSA-N 2 0 237.351 1.028 20 0 BDADRP C[N@H+](CCC[NH3+])CC1(c2ccccc2)CC1 ZINC000382076874 487530469 /nfs/dbraw/zinc/53/04/69/487530469.db2.gz KDUKAIPBWSVOFC-UHFFFAOYSA-N 2 0 218.344 1.999 20 0 BDADRP C[NH+](C)C[C@@H]1CCCN1C(=O)CCC(C)(C)[NH3+] ZINC000070088424 487547828 /nfs/dbraw/zinc/54/78/28/487547828.db2.gz FXYZEPUREQDQKK-NSHDSACASA-N 2 0 241.379 1.057 20 0 BDADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC000685462819 487530527 /nfs/dbraw/zinc/53/05/27/487530527.db2.gz MQPQZGULLOQQOZ-AWEZNQCLSA-N 2 0 248.374 1.573 20 0 BDADRP c1cc(C2CC[NH+](CC3CC[NH2+]CC3)CC2)no1 ZINC000662230373 487475553 /nfs/dbraw/zinc/47/55/53/487475553.db2.gz XJDHFPYOVCJLKS-UHFFFAOYSA-N 2 0 249.358 1.854 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)O1 ZINC000227061060 487491489 /nfs/dbraw/zinc/49/14/89/487491489.db2.gz LVMUFSPIZVWESH-IRCOFANPSA-N 2 0 212.337 1.366 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@H](C)C1CC1 ZINC000381031937 487493711 /nfs/dbraw/zinc/49/37/11/487493711.db2.gz DMAPIFOYUSIELJ-YPMHNXCESA-N 2 0 228.380 1.418 20 0 BDADRP C[C@@H]1CC[C@H](C)[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662257607 487493737 /nfs/dbraw/zinc/49/37/37/487493737.db2.gz DYNTWWBBJDSQHD-TUAOUCFPSA-N 2 0 224.348 1.380 20 0 BDADRP COCCCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000086403751 487500960 /nfs/dbraw/zinc/50/09/60/487500960.db2.gz NGGREKFTHFPBCG-GHMZBOCLSA-N 2 0 200.326 1.273 20 0 BDADRP CO[C@H](C[NH2+]CC1([NH3+])CCC1)C1CCC1 ZINC000662266708 487503410 /nfs/dbraw/zinc/50/34/10/487503410.db2.gz OCUWTSXPUWRSRJ-LLVKDONJSA-N 2 0 212.337 1.273 20 0 BDADRP C[NH2+]C[C@@H]1CCCN(Cc2snnc2C)C1 ZINC000381458445 487507712 /nfs/dbraw/zinc/50/77/12/487507712.db2.gz JAYXOHVNEXUYER-JTQLQIEISA-N 2 0 240.376 1.278 20 0 BDADRP [NH3+]Cc1cccc(NC(=O)[C@@H]2CCCC[NH2+]2)c1 ZINC000169815785 487508425 /nfs/dbraw/zinc/50/84/25/487508425.db2.gz WLYBAARZFQXJOG-LBPRGKRZSA-N 2 0 233.315 1.226 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCCCC[C@@H]1C ZINC000379889107 488154980 /nfs/dbraw/zinc/15/49/80/488154980.db2.gz ADRDSKJYWXIRQL-UONOGXRCSA-N 2 0 242.407 1.952 20 0 BDADRP Cc1n[nH]c(C)c1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000334845204 487572679 /nfs/dbraw/zinc/57/26/79/487572679.db2.gz JQYUGJDQUSISPH-GHMZBOCLSA-N 2 0 222.336 1.386 20 0 BDADRP CCCn1cc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000414929578 487830679 /nfs/dbraw/zinc/83/06/79/487830679.db2.gz RUEGJSWWKXRKQL-CHWSQXEVSA-N 2 0 236.363 1.653 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)[C@H](C)CO1 ZINC000403799449 487889193 /nfs/dbraw/zinc/88/91/93/487889193.db2.gz DYKNGEOJCKJKGV-REWJHTLYSA-N 2 0 240.391 1.874 20 0 BDADRP CC[C@@H]1C[C@@H](C)C[N@@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000310489544 488032758 /nfs/dbraw/zinc/03/27/58/488032758.db2.gz FPGXFQRPQBHHPO-MGPQQGTHSA-N 2 0 242.407 1.808 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)C1CC1 ZINC000657573659 488136906 /nfs/dbraw/zinc/13/69/06/488136906.db2.gz NYTPBWOYDIZDOJ-QWHCGFSZSA-N 2 0 241.423 1.647 20 0 BDADRP C[C@H]1C[C@H](NCC2([NH+](C)C)CC2)CC[N@@H+]1C ZINC000397780384 488149307 /nfs/dbraw/zinc/14/93/07/488149307.db2.gz ORKLILSFYLHUBB-NWDGAFQWSA-N 2 0 225.380 1.153 20 0 BDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000667899055 488150283 /nfs/dbraw/zinc/15/02/83/488150283.db2.gz HXZOVDDSJUOKKE-LPTSXCQYSA-N 2 0 224.348 1.094 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCc2ccnn2C)C1 ZINC000230745399 488150332 /nfs/dbraw/zinc/15/03/32/488150332.db2.gz YUFSOXGFYOSGNG-VXGBXAGGSA-N 2 0 236.363 1.022 20 0 BDADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccncc1)C2 ZINC000380035130 488168514 /nfs/dbraw/zinc/16/85/14/488168514.db2.gz HPTIHCGZRYYNET-KBPBESRZSA-N 2 0 231.343 1.642 20 0 BDADRP CCOCCC[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000390590269 488168792 /nfs/dbraw/zinc/16/87/92/488168792.db2.gz SEAMYCZTOPDPJH-STQMWFEESA-N 2 0 226.364 1.474 20 0 BDADRP COCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401070047 488181231 /nfs/dbraw/zinc/18/12/31/488181231.db2.gz MUSLUYLWBZVUJM-QNWHQSFQSA-N 2 0 226.364 1.389 20 0 BDADRP C[N@@H+](Cc1cn[nH]c1)CC1CC[NH+](C)CC1 ZINC000678238675 488222850 /nfs/dbraw/zinc/22/28/50/488222850.db2.gz CDDCZALORCYCQE-UHFFFAOYSA-N 2 0 222.336 1.183 20 0 BDADRP C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)C1CCC1 ZINC000398746084 488223327 /nfs/dbraw/zinc/22/33/27/488223327.db2.gz YSLQEQQKIVJKRA-QWHCGFSZSA-N 2 0 208.349 1.860 20 0 BDADRP c1cc2cccc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)c2[nH]1 ZINC000678342922 488243276 /nfs/dbraw/zinc/24/32/76/488243276.db2.gz HQCHLYCVBBIYAQ-KBPBESRZSA-N 2 0 241.338 1.819 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)CC2CC2)CN1C1CC1 ZINC000678608375 488272103 /nfs/dbraw/zinc/27/21/03/488272103.db2.gz WHZBEZTVYXNHEU-RAIGVLPGSA-N 2 0 238.375 1.362 20 0 BDADRP C[NH+](C)C1(CN[C@@H]2CCC[C@H]([NH3+])C2)CCC1 ZINC000165164738 490232602 /nfs/dbraw/zinc/23/26/02/490232602.db2.gz YRVYUGGXOUBWOH-NWDGAFQWSA-N 2 0 225.380 1.330 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@H](O)C2CC2)CC1 ZINC000070879999 490243027 /nfs/dbraw/zinc/24/30/27/490243027.db2.gz LDIOFZHDHWSFSE-ZDUSSCGKSA-N 2 0 226.364 1.221 20 0 BDADRP CCc1nn(C)cc1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252772143 490267828 /nfs/dbraw/zinc/26/78/28/490267828.db2.gz LZTDHYPPNCAICU-MNOVXSKESA-N 2 0 236.363 1.152 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCCn2ccnc2)C1 ZINC000086402618 490414500 /nfs/dbraw/zinc/41/45/00/490414500.db2.gz YMYTZHFKQOGAMO-NEPJUHHUSA-N 2 0 222.336 1.133 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC2(CO)CCCCC2)C1 ZINC000125477371 490436291 /nfs/dbraw/zinc/43/62/91/490436291.db2.gz APCWHHAHDHABCF-OLZOCXBDSA-N 2 0 240.391 1.789 20 0 BDADRP CC(C)(CO)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128085923 490571890 /nfs/dbraw/zinc/57/18/90/490571890.db2.gz FHJANRABLLOVGM-VXGBXAGGSA-N 2 0 226.364 1.221 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)CO)[C@@H](C)C1 ZINC000222333063 490631678 /nfs/dbraw/zinc/63/16/78/490631678.db2.gz IWTSZTYEOWJOQJ-NWDGAFQWSA-N 2 0 228.380 1.325 20 0 BDADRP C[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1cn[nH]c1 ZINC000222508991 490644094 /nfs/dbraw/zinc/64/40/94/490644094.db2.gz IQNLRSJURKWJSH-GHMZBOCLSA-N 2 0 236.363 1.791 20 0 BDADRP C[C@H]([NH2+][C@H]1CCCN(C)C1)[C@@H]1CCOC1 ZINC000222586708 490647916 /nfs/dbraw/zinc/64/79/16/490647916.db2.gz CWVIRZWVRNUBAV-TUAOUCFPSA-N 2 0 212.337 1.095 20 0 BDADRP Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000400944632 491069159 /nfs/dbraw/zinc/06/91/59/491069159.db2.gz AHYLEDSVWYMEHC-RRFJBIMHSA-N 2 0 245.370 1.868 20 0 BDADRP CC[C@@H]1C[N@@H+]([C@H](C)CCOC)CC[C@H]1[NH3+] ZINC000251793298 491080503 /nfs/dbraw/zinc/08/05/03/491080503.db2.gz NRTYXJHIPUHBGY-IJLUTSLNSA-N 2 0 214.353 1.471 20 0 BDADRP COC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)C1CC1 ZINC000228164510 491091200 /nfs/dbraw/zinc/09/12/00/491091200.db2.gz GGXWZWYCFUVHNC-DGCLKSJQSA-N 2 0 226.364 1.343 20 0 BDADRP Cc1cccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1C ZINC000090320632 491124434 /nfs/dbraw/zinc/12/44/34/491124434.db2.gz VLTOXGJKLZXXNQ-HUUCEWRRSA-N 2 0 230.355 1.955 20 0 BDADRP CCOCCC[NH+]1CCC(C)([NH3+])CC1 ZINC000309126939 491129063 /nfs/dbraw/zinc/12/90/63/491129063.db2.gz QBEQTXFEGSNAAP-UHFFFAOYSA-N 2 0 200.326 1.226 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000309662925 491154113 /nfs/dbraw/zinc/15/41/13/491154113.db2.gz RZLPJVYCFNNJJS-SDDRHHMPSA-N 2 0 228.380 1.730 20 0 BDADRP C[C@@H]1C[C@H](CN(C2CC2)[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000414659970 533839304 /nfs/dbraw/zinc/83/93/04/533839304.db2.gz NTGRTBWMIPLMKE-BZPMIXESSA-N 2 0 237.391 1.201 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCC[NH2+]1 ZINC000400437127 533885924 /nfs/dbraw/zinc/88/59/24/533885924.db2.gz LOEZCUDIMHPADK-RNJOBUHISA-N 2 0 226.364 1.268 20 0 BDADRP C[C@H](O)C[C@H](C)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400464438 534099837 /nfs/dbraw/zinc/09/98/37/534099837.db2.gz VQFJWXLPVWJUJJ-FIQHERPVSA-N 2 0 214.353 1.124 20 0 BDADRP CC[C@@H]1COCC[N@@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261533656 535834217 /nfs/dbraw/zinc/83/42/17/535834217.db2.gz JJWPHLROIHTELN-JHJVBQTASA-N 2 0 226.364 1.485 20 0 BDADRP CO[C@@H](C[NH2+]C1CCC([NH3+])CC1)C1CC1 ZINC000262009552 536507209 /nfs/dbraw/zinc/50/72/09/536507209.db2.gz SVPWOCKJZCQNNT-MCIGGMRASA-N 2 0 212.337 1.271 20 0 BDADRP CC[N@@H+]1CC[C@H](CN[C@@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000400718404 527815514 /nfs/dbraw/zinc/81/55/14/527815514.db2.gz NSQCTRMRPMOITA-XQQFMLRXSA-N 2 0 225.380 1.058 20 0 BDADRP CC(C)OCCCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400493037 527930670 /nfs/dbraw/zinc/93/06/70/527930670.db2.gz ZVUUFKVZHBLDBM-STQMWFEESA-N 2 0 228.380 1.922 20 0 BDADRP COC[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000173786814 536525033 /nfs/dbraw/zinc/52/50/33/536525033.db2.gz BBHBRXFIWVQHJE-CHWSQXEVSA-N 2 0 226.364 1.439 20 0 BDADRP CC[NH+](CC)CCCN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400478462 528113151 /nfs/dbraw/zinc/11/31/51/528113151.db2.gz VQEZNDQLPCBQDM-OLZOCXBDSA-N 2 0 227.396 1.448 20 0 BDADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000494999100 528143833 /nfs/dbraw/zinc/14/38/33/528143833.db2.gz RAEKWHFVXKVKTB-MGPQQGTHSA-N 2 0 242.407 1.979 20 0 BDADRP CC(C)[C@@H](C(=O)N[C@@H](C)CCCC[NH3+])[NH+](C)C ZINC000495108819 528367553 /nfs/dbraw/zinc/36/75/53/528367553.db2.gz DBUQEAMRLSJIIC-RYUDHWBXSA-N 2 0 243.395 1.206 20 0 BDADRP CCC(CC)(C[NH3+])C(=O)N[C@@H](C)CCCC[NH3+] ZINC000495147003 528650928 /nfs/dbraw/zinc/65/09/28/528650928.db2.gz NAZDEHSLGLXQFD-NSHDSACASA-N 2 0 243.395 1.385 20 0 BDADRP CC[NH+]1CCC(N[C@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000400712244 528988320 /nfs/dbraw/zinc/98/83/20/528988320.db2.gz MNGNDOCVMJVYEO-YPMHNXCESA-N 2 0 225.380 1.201 20 0 BDADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(N)=[NH2+])C1 ZINC000304052644 529216567 /nfs/dbraw/zinc/21/65/67/529216567.db2.gz LHLQBZMMIJVXJN-JTQLQIEISA-N 2 0 226.368 1.370 20 0 BDADRP CC(C)[N@H+](C)CCN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000084216728 535010365 /nfs/dbraw/zinc/01/03/65/535010365.db2.gz HEMRIYBLRMTAMZ-OLZOCXBDSA-N 2 0 227.396 1.434 20 0 BDADRP CC(C)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000335631302 535078863 /nfs/dbraw/zinc/07/88/63/535078863.db2.gz ABHMXALCWMQVBN-QWHCGFSZSA-N 2 0 210.365 1.964 20 0 BDADRP CC(C)C[C@H](CN[C@@H]1CCC[C@H]1C[NH3+])[NH+](C)C ZINC000251413591 535312950 /nfs/dbraw/zinc/31/29/50/535312950.db2.gz OJQAHQHCXQZMPK-BFHYXJOUSA-N 2 0 241.423 1.680 20 0 BDADRP CC[NH2+]CC1CC[NH+](C[C@@H]2C[C@@H]2C)CC1 ZINC000261554754 535458409 /nfs/dbraw/zinc/45/84/09/535458409.db2.gz UMLVXZJWNJPQGS-AAEUAGOBSA-N 2 0 210.365 1.964 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C1(C)C ZINC000261539687 535498202 /nfs/dbraw/zinc/49/82/02/535498202.db2.gz AYZMRVANWWFAPP-RWMBFGLXSA-N 2 0 240.391 1.779 20 0 BDADRP CCOCC[N@H+](CC)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000261534162 535585814 /nfs/dbraw/zinc/58/58/14/535585814.db2.gz NSWIHJXJOAPJLB-OLZOCXBDSA-N 2 0 228.380 1.733 20 0 BDADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC[N@H+](CC)C(C)C ZINC000167203039 535653866 /nfs/dbraw/zinc/65/38/66/535653866.db2.gz YGLKODRVZILGKG-VXGBXAGGSA-N 2 0 243.395 1.206 20 0 BDADRP CC[NH+](CC)[C@@H](CNC(=O)C[NH2+]C)CC(C)C ZINC000164407853 535654460 /nfs/dbraw/zinc/65/44/60/535654460.db2.gz VZLCURDEHRZDIZ-GFCCVEGCSA-N 2 0 243.395 1.079 20 0 BDADRP CCSCC[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252696685 535684967 /nfs/dbraw/zinc/68/49/67/535684967.db2.gz BUYKMHWTIYKDDE-ZJUUUORDSA-N 2 0 202.367 1.409 20 0 BDADRP CC[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000088091297 535813627 /nfs/dbraw/zinc/81/36/27/535813627.db2.gz NETAXUXTSYKSQU-JHJVBQTASA-N 2 0 226.364 1.173 20 0 BDADRP CC[C@@](C)(O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000249309649 536002885 /nfs/dbraw/zinc/00/28/85/536002885.db2.gz DNJLPYQXCCNXQR-UONOGXRCSA-N 2 0 240.391 1.565 20 0 BDADRP CC[C@H](CCO)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252703315 536098731 /nfs/dbraw/zinc/09/87/31/536098731.db2.gz UJDVILIIVPKLJE-AGIUHOORSA-N 2 0 226.364 1.364 20 0 BDADRP C[N@H+](CCC1CCCCC1)C[C@@H](O)C[NH3+] ZINC000258773049 536322894 /nfs/dbraw/zinc/32/28/94/536322894.db2.gz BCVNVAAXGHYJBC-LBPRGKRZSA-N 2 0 214.353 1.208 20 0 BDADRP C[N@H+](CCC[NH3+])[C@@H]1CCc2ccccc2C1 ZINC000227745532 536342374 /nfs/dbraw/zinc/34/23/74/536342374.db2.gz WPXPKEXSJKMIPW-CQSZACIVSA-N 2 0 218.344 1.825 20 0 BDADRP C[NH+]1CCC(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000250634378 536345518 /nfs/dbraw/zinc/34/55/18/536345518.db2.gz RUJRPWLDIOLMRT-KGLIPLIRSA-N 2 0 237.391 1.297 20 0 BDADRP C[N@H+](CCN1CC[NH2+]CC1)C(C1CC1)C1CC1 ZINC000261553325 536373102 /nfs/dbraw/zinc/37/31/02/536373102.db2.gz NWZVNURUQNMVLC-UHFFFAOYSA-N 2 0 237.391 1.012 20 0 BDADRP CO[C@@H](C[NH2+][C@@H]1CCC[NH2+]CC1)C1CC1 ZINC000261975429 536514242 /nfs/dbraw/zinc/51/42/42/536514242.db2.gz FTUCYSMDRGAKGI-NEPJUHHUSA-N 2 0 212.337 1.143 20 0 BDADRP COCCC[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000086500634 536589867 /nfs/dbraw/zinc/58/98/67/536589867.db2.gz FCPMHAXNEHBALT-STQMWFEESA-N 2 0 228.380 1.923 20 0 BDADRP COC1CC([NH2+][C@@H](C)CC[NH+](C)C)C1 ZINC000220904280 536721253 /nfs/dbraw/zinc/72/12/53/536721253.db2.gz RMFLWEJWWFMQDV-WHXUTIOJSA-N 2 0 200.326 1.094 20 0 BDADRP COC[C@H]([NH2+]CC1CC[NH+](C)CC1)C(C)C ZINC000083397825 536876169 /nfs/dbraw/zinc/87/61/69/536876169.db2.gz DZCLHUYYJIBKCJ-ZDUSSCGKSA-N 2 0 228.380 1.589 20 0 BDADRP COCC[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000336038717 536878570 /nfs/dbraw/zinc/87/85/70/536878570.db2.gz KIVPSUOQGGIVOK-GFCCVEGCSA-N 2 0 212.337 1.051 20 0 BDADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CC[C@H]2C2CC2)CC1 ZINC000348105154 566264943 /nfs/dbraw/zinc/26/49/43/566264943.db2.gz FSOXVFMBKOTXLC-STQMWFEESA-N 2 0 238.375 1.221 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@@H](O)c2ccccn2)C1 ZINC000853065301 588718547 /nfs/dbraw/zinc/71/85/47/588718547.db2.gz XOMZWZLZJVQCNA-MBNYWOFBSA-N 2 0 249.358 1.045 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+]C[C@H]1CCCOC1 ZINC000853247435 588729023 /nfs/dbraw/zinc/72/90/23/588729023.db2.gz PJCUUANPKRTIJW-VXGBXAGGSA-N 2 0 214.353 1.376 20 0 BDADRP C1=C[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000854221804 588780404 /nfs/dbraw/zinc/78/04/04/588780404.db2.gz VRUNRWJBEAEJNI-REWJHTLYSA-N 2 0 236.359 1.452 20 0 BDADRP C[C@@H](CNc1cc(N)[nH+]cc1Cl)[NH+](C)C ZINC000892027772 582765149 /nfs/dbraw/zinc/76/51/49/582765149.db2.gz JDVXTFMYINWGDP-ZETCQYMHSA-N 2 0 228.727 1.679 20 0 BDADRP C[C@@H]1CSCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000892046102 582771296 /nfs/dbraw/zinc/77/12/96/582771296.db2.gz NLMGGZFYDFLLBC-LLVKDONJSA-N 2 0 228.405 1.766 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCOC[C@H]2C2CC2)CC1 ZINC000892106097 582792748 /nfs/dbraw/zinc/79/27/48/582792748.db2.gz UERFTPMHVMVODW-AWEZNQCLSA-N 2 0 238.375 1.439 20 0 BDADRP C[C@H](CNC(=[NH2+])N1CCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000848986960 582817822 /nfs/dbraw/zinc/81/78/22/582817822.db2.gz BREVXVCFWDEHMO-VXGBXAGGSA-N 2 0 238.379 1.337 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@H](CCO)C2CC2)CC1 ZINC000893037360 583035089 /nfs/dbraw/zinc/03/50/89/583035089.db2.gz POPOAWIQJWHPER-CYBMUJFWSA-N 2 0 226.364 1.079 20 0 BDADRP CC[C@@H](C[C@H](C)CO)[NH2+]CC1CC[NH+](C)CC1 ZINC000893075320 583041691 /nfs/dbraw/zinc/04/16/91/583041691.db2.gz ZYMGSTOVOVNVRQ-JSGCOSHPSA-N 2 0 242.407 1.715 20 0 BDADRP C[NH+]1CCC(C[NH2+]Cc2ncccc2F)CC1 ZINC000893181026 583065301 /nfs/dbraw/zinc/06/53/01/583065301.db2.gz AJIFTVWDPLYIQZ-UHFFFAOYSA-N 2 0 237.322 1.652 20 0 BDADRP CO[C@@H]1CCC[C@@H]1C[NH2+]CC1CC[NH+](C)CC1 ZINC000893287246 583087404 /nfs/dbraw/zinc/08/74/04/583087404.db2.gz YIJHPFZMTGSGEY-ZIAGYGMSSA-N 2 0 240.391 1.733 20 0 BDADRP [NH3+][C@]12CCC[C@H]1CN(CCOC(F)F)C2 ZINC000857084802 588886403 /nfs/dbraw/zinc/88/64/03/588886403.db2.gz BMLFSQXTKCONNW-WPRPVWTQSA-N 2 0 220.263 1.039 20 0 BDADRP [NH3+]CCCCCCC[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000857087559 588887140 /nfs/dbraw/zinc/88/71/40/588887140.db2.gz UKRQEVATEPUGQP-KBPBESRZSA-N 3 0 239.407 1.709 20 0 BDADRP CC[C@]1(CO)CCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000893908205 583248837 /nfs/dbraw/zinc/24/88/37/583248837.db2.gz OXGSGIRDXYJAQT-CQSZACIVSA-N 2 0 240.391 1.565 20 0 BDADRP C[C@H]1COC(C)(C)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000894010019 583271456 /nfs/dbraw/zinc/27/14/56/583271456.db2.gz RGXOYKOJAZPFFJ-LBPRGKRZSA-N 2 0 240.391 1.828 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000894377756 583442115 /nfs/dbraw/zinc/44/21/15/583442115.db2.gz FWZZOIKECRLHAT-ZIAGYGMSSA-N 2 0 239.407 1.260 20 0 BDADRP COC[C@@]1(C)CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000894671742 583504118 /nfs/dbraw/zinc/50/41/18/583504118.db2.gz QOOCYUYKELQHHD-AWEZNQCLSA-N 2 0 240.391 1.687 20 0 BDADRP CCOC1C[NH+](CC2CC[NH+](C)CC2)C1 ZINC000894818893 583525165 /nfs/dbraw/zinc/52/51/65/583525165.db2.gz GGPHPQJCHNHUGJ-UHFFFAOYSA-N 2 0 212.337 1.049 20 0 BDADRP C[N@H+](CCCC[NH2+]Cc1cnc[nH]1)C1CC1 ZINC000894968000 583560643 /nfs/dbraw/zinc/56/06/43/583560643.db2.gz RYEOOIVKXXHBJW-UHFFFAOYSA-N 2 0 222.336 1.374 20 0 BDADRP C[N@H+](CCCC[NH2+][C@@H]1COCC1(C)C)C1CC1 ZINC000894968666 583560701 /nfs/dbraw/zinc/56/07/01/583560701.db2.gz WYYFUWLSSRFNCG-CYBMUJFWSA-N 2 0 240.391 1.875 20 0 BDADRP C[N@@H+]1CC[C@H]2CN(c3cc[nH+]cc3CO)CC[C@@H]21 ZINC000895022065 583569519 /nfs/dbraw/zinc/56/95/19/583569519.db2.gz JYDGGGJQCVRBSZ-AAEUAGOBSA-N 2 0 247.342 1.104 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857851942 588912732 /nfs/dbraw/zinc/91/27/32/588912732.db2.gz SSLHKWCLQIUOKW-LBPRGKRZSA-N 2 0 236.363 1.719 20 0 BDADRP CC[C@H](C)C[C@@H](CO)[NH2+]CC1CC[NH+](C)CC1 ZINC000895111305 583590530 /nfs/dbraw/zinc/59/05/30/583590530.db2.gz BXTORDQBDWTDGQ-JSGCOSHPSA-N 2 0 242.407 1.715 20 0 BDADRP CC(C)C[N@H+](C)CCC[NH2+][C@H]1COCC1(C)C ZINC000895128688 583600374 /nfs/dbraw/zinc/60/03/74/583600374.db2.gz ALNVTHYRZPHSTJ-ZDUSSCGKSA-N 2 0 242.407 1.979 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCC3(COC3)C2)CC1 ZINC000895451045 583676547 /nfs/dbraw/zinc/67/65/47/583676547.db2.gz SCOAUXALXKJPAO-UHFFFAOYSA-N 2 0 224.348 1.051 20 0 BDADRP C[NH+]1CCC(C[NH+]2CCC(F)CC2)CC1 ZINC000896000638 583760209 /nfs/dbraw/zinc/76/02/09/583760209.db2.gz VFUYWLQXOVQRFS-UHFFFAOYSA-N 2 0 214.328 1.762 20 0 BDADRP CC(C)[C@@H](C(=O)NCC(C)(C)[NH+](C)C)[C@@H](C)[NH3+] ZINC000399456475 583794807 /nfs/dbraw/zinc/79/48/07/583794807.db2.gz PVAVOQMRRXITOX-GHMZBOCLSA-N 2 0 243.395 1.062 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CCN(C)[C@H]1C)CC(C)C ZINC000896554625 583811496 /nfs/dbraw/zinc/81/14/96/583811496.db2.gz KHVMYYHBYGPEJH-AVGNSLFASA-N 2 0 228.380 1.730 20 0 BDADRP CC(C)[NH+]1CCC(NC2CC[NH+](C)CC2)CC1 ZINC000020188973 583908441 /nfs/dbraw/zinc/90/84/41/583908441.db2.gz RRCHDIHFKWFWJB-UHFFFAOYSA-N 2 0 239.407 1.543 20 0 BDADRP C[C@@H](CCCCO)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000393737187 583920254 /nfs/dbraw/zinc/92/02/54/583920254.db2.gz AQGKRUYKHZHLNT-LBPRGKRZSA-N 2 0 226.364 1.389 20 0 BDADRP C[NH2+][C@H](C)Cc1noc([C@@H]2C[C@H]([NH3+])C2(C)C)n1 ZINC000871788859 583943722 /nfs/dbraw/zinc/94/37/22/583943722.db2.gz OPQRRYLDBFQTNU-VGMNWLOBSA-N 2 0 238.335 1.061 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1=CCCOC1 ZINC000863641695 583995337 /nfs/dbraw/zinc/99/53/37/583995337.db2.gz IQLBADAFYIZTRB-VTXSZYRJSA-N 2 0 236.359 1.439 20 0 BDADRP C[C@H]1CCC[N@H+](CCNc2cc[nH+]c(CO)c2)C1 ZINC000858349620 588948453 /nfs/dbraw/zinc/94/84/53/588948453.db2.gz MKDFBWCTLIDLFV-LBPRGKRZSA-N 2 0 249.358 1.718 20 0 BDADRP C[N@@H+]1C[C@@H]2C[NH+](C[C@H]3CCSC3)C[C@]2(C)C1 ZINC000897620735 584032866 /nfs/dbraw/zinc/03/28/66/584032866.db2.gz XXSGSXAWEIAONH-UPJWGTAASA-N 2 0 240.416 1.623 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC23CC(O)C3)CC1(C)C ZINC000897840928 584053329 /nfs/dbraw/zinc/05/33/29/584053329.db2.gz JORIJCPRGBQJCO-ATWGWHJKSA-N 2 0 238.375 1.362 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC23CC(O)C3)CC1(C)C ZINC000897840934 584053656 /nfs/dbraw/zinc/05/36/56/584053656.db2.gz JORIJCPRGBQJCO-WDBLDGLGSA-N 2 0 238.375 1.362 20 0 BDADRP C[C@@H]1C[C@@H](Nc2cc[nH+]c(CO)c2)CC[N@@H+]1C ZINC000858423317 588953147 /nfs/dbraw/zinc/95/31/47/588953147.db2.gz CRWQHHQKAJDRRW-PWSUYJOCSA-N 2 0 235.331 1.469 20 0 BDADRP CC1(C)[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)[C@H]2CCCO[C@@H]21 ZINC000873250064 584128063 /nfs/dbraw/zinc/12/80/63/584128063.db2.gz DDNZGMSXNNXQKH-MLGHIDQZSA-N 2 0 238.375 1.517 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C12CCC2 ZINC000873252864 584128162 /nfs/dbraw/zinc/12/81/62/584128162.db2.gz WRFUGSVMDDKZNJ-XQHKEYJVSA-N 2 0 238.375 1.661 20 0 BDADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CCCc3occc32)C1 ZINC000873259130 584128348 /nfs/dbraw/zinc/12/83/48/584128348.db2.gz ZTCZKQZLRLMUCC-NHCYSSNCSA-N 2 0 220.316 1.984 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[NH2+]CC[C@@H]1C)C1CC[NH2+]CC1 ZINC000873272983 584128868 /nfs/dbraw/zinc/12/88/68/584128868.db2.gz XWPAWUDGTVLWQB-OBJOEFQTSA-N 3 0 239.407 1.352 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000873282259 584129129 /nfs/dbraw/zinc/12/91/29/584129129.db2.gz SIZNVAMONOLIMY-IEECTRCBSA-N 2 0 226.364 1.659 20 0 BDADRP C[C@H](CCO)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000858490083 588960254 /nfs/dbraw/zinc/96/02/54/588960254.db2.gz AXOUBGPBPJTZEJ-VXGBXAGGSA-N 2 0 214.353 1.079 20 0 BDADRP C[C@@H](CNC(=[NH2+])N[C@@H](C)C1CC1)[NH+]1CCCC1 ZINC000899266752 584190113 /nfs/dbraw/zinc/19/01/13/584190113.db2.gz XDVYWGKVPNWTIT-QWRGUYRKSA-N 2 0 238.379 1.383 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H](C)C1CC1 ZINC000899263756 584191056 /nfs/dbraw/zinc/19/10/56/584191056.db2.gz MWUDEOBIUMCXKL-CMPLNLGQSA-N 2 0 238.379 1.383 20 0 BDADRP C[C@@H](NC(=[NH2+])NCC[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC000899267645 584193071 /nfs/dbraw/zinc/19/30/71/584193071.db2.gz RAKJFNDXXCNUQQ-WDEREUQCSA-N 2 0 238.379 1.241 20 0 BDADRP [NH3+][C@@H]1Cc2ccc(C3=CCC[NH2+]C3)cc2C1 ZINC000899322873 584196422 /nfs/dbraw/zinc/19/64/22/584196422.db2.gz ARTWXXZWBPGHGD-CQSZACIVSA-N 2 0 214.312 1.489 20 0 BDADRP [NH3+][C@@H]1Cc2ccc(C3=CC[NH2+]CC3)cc2C1 ZINC000899324388 584196547 /nfs/dbraw/zinc/19/65/47/584196547.db2.gz WOTOZYGJSKHCAS-CQSZACIVSA-N 2 0 214.312 1.489 20 0 BDADRP CC(C)[NH+](Cc1cn([C@H](C)C[NH3+])nn1)C(C)C ZINC000899719772 584227325 /nfs/dbraw/zinc/22/73/25/584227325.db2.gz SPXQXOSIZMOTON-LLVKDONJSA-N 2 0 239.367 1.417 20 0 BDADRP CC(C)(C)[C@@H]([NH3+])Cc1nc([C@H]2CCC[NH2+]2)no1 ZINC000900009413 584264560 /nfs/dbraw/zinc/26/45/60/584264560.db2.gz GILUUIPDDCGLEP-BDAKNGLRSA-N 2 0 238.335 1.410 20 0 BDADRP C[NH2+][C@H](C)Cc1noc(C[C@@H]([NH3+])CC(C)C)n1 ZINC000900008309 584264862 /nfs/dbraw/zinc/26/48/62/584264862.db2.gz DMKWXEGKAFSREV-ZJUUUORDSA-N 2 0 240.351 1.136 20 0 BDADRP C1=C(c2nc([C@H]3CCC[NH2+]3)no2)CC[NH2+]CC1 ZINC000900010150 584265251 /nfs/dbraw/zinc/26/52/51/584265251.db2.gz OKOXDKPJPHANJR-SNVBAGLBSA-N 2 0 234.303 1.261 20 0 BDADRP C[C@]1(c2nc([C@H]3CCC[NH2+]3)no2)CCC[NH2+]1 ZINC000900010891 584266324 /nfs/dbraw/zinc/26/63/24/584266324.db2.gz YSEXHGZHEHGLFB-LDYMZIIASA-N 2 0 222.292 1.093 20 0 BDADRP CCC[C@@H](O)C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902320221 584552265 /nfs/dbraw/zinc/55/22/65/584552265.db2.gz OYVSEJJGJLLEPH-NWDGAFQWSA-N 2 0 228.380 1.515 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CC[C@H]2CCCO2)C1 ZINC000902338834 584556856 /nfs/dbraw/zinc/55/68/56/584556856.db2.gz XZFHEEYESODGKM-CHWSQXEVSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H](C[C@H](C)O)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902371747 584566501 /nfs/dbraw/zinc/56/65/01/584566501.db2.gz UOYCUDGQOMJBRR-WOPDTQHZSA-N 2 0 228.380 1.514 20 0 BDADRP C[C@@H](CO)CCC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902372665 584566697 /nfs/dbraw/zinc/56/66/97/584566697.db2.gz UHMPENNAXMWOIJ-OLZOCXBDSA-N 2 0 242.407 1.763 20 0 BDADRP CC1(C)[C@@H](O)C[C@@H]1[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902376325 584567947 /nfs/dbraw/zinc/56/79/47/584567947.db2.gz JGZWSFGMNLBASF-SRVKXCTJSA-N 2 0 240.391 1.514 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)C(C)(C)O ZINC000902388400 584579608 /nfs/dbraw/zinc/57/96/08/584579608.db2.gz PKQYKKSJPLAGOM-NEPJUHHUSA-N 2 0 242.407 1.904 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)O1 ZINC000902390032 584581116 /nfs/dbraw/zinc/58/11/16/584581116.db2.gz FSCPPWAOCNERAK-FRRDWIJNSA-N 2 0 240.391 1.922 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CC2=CCOCC2)C1 ZINC000902389781 584581184 /nfs/dbraw/zinc/58/11/84/584581184.db2.gz YINTUEBRGVLTLY-CYBMUJFWSA-N 2 0 238.375 1.701 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902391481 584582213 /nfs/dbraw/zinc/58/22/13/584582213.db2.gz XOYPZQRBSKUMQX-RWMBFGLXSA-N 2 0 240.391 1.922 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H](N[C@@H](C[NH3+])C2CC2)C1 ZINC000902391808 584582581 /nfs/dbraw/zinc/58/25/81/584582581.db2.gz AULMNVIOXBFNJR-NEPJUHHUSA-N 2 0 225.380 1.092 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2CC23CC3)C1 ZINC000902395140 584584277 /nfs/dbraw/zinc/58/42/77/584584277.db2.gz ZRUCSDWAILKVLT-QWRGUYRKSA-N 2 0 208.349 1.907 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902394806 584584424 /nfs/dbraw/zinc/58/44/24/584584424.db2.gz DKVFFRWUYWOXOX-RWMBFGLXSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902394997 584584707 /nfs/dbraw/zinc/58/47/07/584584707.db2.gz ZNYMLIHQZSLLMS-AGIUHOORSA-N 2 0 239.407 1.352 20 0 BDADRP [NH3+]C1(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000902404714 584588536 /nfs/dbraw/zinc/58/85/36/584588536.db2.gz BULVDHZLZLYIAM-RWMBFGLXSA-N 2 0 237.391 1.378 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CC[C@@H](C2CC2)O1 ZINC000902432719 584595361 /nfs/dbraw/zinc/59/53/61/584595361.db2.gz WVEJIXPCZSFCJX-DJIHRAIXSA-N 2 0 226.364 1.659 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1Cc2ccccc2[C@H]1N ZINC000902431512 584595618 /nfs/dbraw/zinc/59/56/18/584595618.db2.gz FQDJQKDIGJSPKF-KCPJHIHWSA-N 2 0 247.386 1.718 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000902444509 584598963 /nfs/dbraw/zinc/59/89/63/584598963.db2.gz IEWDUYVNOMENOQ-YAXHFPQCSA-N 2 0 226.389 1.882 20 0 BDADRP CCC1(CC)[C@H]([NH2+]CC2([NH3+])CC2)C[C@@H]1OC ZINC000902414042 584599858 /nfs/dbraw/zinc/59/98/58/584599858.db2.gz RATFZZAFCJJPPS-MNOVXSKESA-N 2 0 226.364 1.661 20 0 BDADRP NC1(C[NH2+][C@@H]2CCc3ccccc3C2)CC1 ZINC000902414515 584600471 /nfs/dbraw/zinc/60/04/71/584600471.db2.gz CEFGVUKRVXARAB-CYBMUJFWSA-N 2 0 216.328 1.625 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](NC[C@@H]2CCCCC[NH2+]2)C1 ZINC000902474085 584602297 /nfs/dbraw/zinc/60/22/97/584602297.db2.gz AEIPFRBHONDXPA-AGIUHOORSA-N 2 0 225.380 1.378 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NC[C@@H]1CCCCC[NH2+]1 ZINC000902479420 584604347 /nfs/dbraw/zinc/60/43/47/584604347.db2.gz XMTSUURDGFUTIA-TUAOUCFPSA-N 2 0 213.369 1.234 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC[C@H]1CCCCC[NH2+]1 ZINC000902479417 584604373 /nfs/dbraw/zinc/60/43/73/584604373.db2.gz XMTSUURDGFUTIA-SDDRHHMPSA-N 2 0 213.369 1.234 20 0 BDADRP CC[N@@H+]1CC[C@H](N[C@H]2C[NH2+]CC2(C)C)[C@H](C)C1 ZINC000902447802 584604758 /nfs/dbraw/zinc/60/47/58/584604758.db2.gz VVJSTBOJIUJOHJ-AGIUHOORSA-N 2 0 239.407 1.304 20 0 BDADRP CC[C@H](N[C@@H]1C[NH2+]CC1(C)C)[C@@H]1CCC[NH2+]1 ZINC000902447531 584604874 /nfs/dbraw/zinc/60/48/74/584604874.db2.gz YZSZWVZORUVUIG-SDDRHHMPSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902449466 584605958 /nfs/dbraw/zinc/60/59/58/584605958.db2.gz OUSBHBJGWHEQBT-MNOVXSKESA-N 2 0 214.353 1.125 20 0 BDADRP C1[C@@H]2[C@H]1[C@@H]1O[C@H]2C[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000902452145 584607233 /nfs/dbraw/zinc/60/72/33/584607233.db2.gz JGPPGJKQNTXEOB-UTYQJJHVSA-N 2 0 248.370 1.140 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1cncs1 ZINC000902454479 584608939 /nfs/dbraw/zinc/60/89/39/584608939.db2.gz HWIOAYFIDOOZPK-ZJUUUORDSA-N 2 0 243.376 1.548 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000902459089 584610792 /nfs/dbraw/zinc/61/07/92/584610792.db2.gz BAPVFOIQWVFAOJ-KIJLLGNVSA-N 2 0 237.391 1.375 20 0 BDADRP CC1(C)C[NH2+]CC[C@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000902462322 584612703 /nfs/dbraw/zinc/61/27/03/584612703.db2.gz UNSAWAOVEYCICG-WUHRBBMRSA-N 2 0 237.391 1.247 20 0 BDADRP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902469226 584615303 /nfs/dbraw/zinc/61/53/03/584615303.db2.gz ZHLKRBOALATZSU-QNWJLWSRSA-N 2 0 208.349 1.904 20 0 BDADRP C1CC1[C@@H]1CC[C@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902470257 584616310 /nfs/dbraw/zinc/61/63/10/584616310.db2.gz VNFWWUHNTLXKQT-KIJLLGNVSA-N 2 0 206.333 1.658 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H](O)C1CC1 ZINC000902502885 584620549 /nfs/dbraw/zinc/62/05/49/584620549.db2.gz HEIVZNXYAKKGEN-AVGNSLFASA-N 2 0 226.364 1.255 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CC[C@@H](O)C2CC2)C1 ZINC000902501457 584620624 /nfs/dbraw/zinc/62/06/24/584620624.db2.gz BJZNXFRBKSHWCK-QWHCGFSZSA-N 2 0 240.391 1.515 20 0 BDADRP OC1CCC([NH2+]C[C@H]2CCCCC[NH2+]2)CC1 ZINC000902481187 584623018 /nfs/dbraw/zinc/62/30/18/584623018.db2.gz AWCWTOJMFMNUIO-OTTFEQOBSA-N 2 0 226.364 1.412 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H]1CCCCC[NH2+]1 ZINC000902481393 584623995 /nfs/dbraw/zinc/62/39/95/584623995.db2.gz CHURUNYUEPNJTD-UPJWGTAASA-N 2 0 225.380 1.106 20 0 BDADRP Cc1ccncc1[C@@H](C)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902486022 584625263 /nfs/dbraw/zinc/62/52/63/584625263.db2.gz FHALQPAICWLFHZ-IJLUTSLNSA-N 2 0 219.332 1.778 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C1(C)C ZINC000902486676 584626067 /nfs/dbraw/zinc/62/60/67/584626067.db2.gz HUSOLVMNMQNFDA-BJDJZHNGSA-N 2 0 226.364 1.517 20 0 BDADRP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccccn1 ZINC000902487117 584626282 /nfs/dbraw/zinc/62/62/82/584626282.db2.gz JTLPISRWHWXPNA-GMTAPVOTSA-N 2 0 205.305 1.470 20 0 BDADRP CCn1ccnc1[C@H](C)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902487343 584626801 /nfs/dbraw/zinc/62/68/01/584626801.db2.gz TXASXLUEQCZZEV-DCAQKATOSA-N 2 0 222.336 1.291 20 0 BDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902489004 584627517 /nfs/dbraw/zinc/62/75/17/584627517.db2.gz PRVOJFXHVSQKIF-AAVRWANBSA-N 3 0 239.407 1.624 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C1 ZINC000902488510 584627541 /nfs/dbraw/zinc/62/75/41/584627541.db2.gz YTEBXGVVSKSJJQ-KKOKHZNYSA-N 2 0 212.337 1.271 20 0 BDADRP COC[C@@H](CC(C)C)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902488745 584627596 /nfs/dbraw/zinc/62/75/96/584627596.db2.gz NIVQORJPTFMMFT-IJLUTSLNSA-N 2 0 214.353 1.374 20 0 BDADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H]2CCc3ccccc3C2)C1 ZINC000902489904 584628245 /nfs/dbraw/zinc/62/82/45/584628245.db2.gz SHVYDSCCWXEHJL-CQDKDKBSSA-N 2 0 230.355 1.871 20 0 BDADRP CC(C)C[C@@H](C[NH+](C)C)N[C@H](C)C[C@H](C)[NH3+] ZINC000902514002 584629508 /nfs/dbraw/zinc/62/95/08/584629508.db2.gz KDHPJLXWYLMSIG-XQQFMLRXSA-N 2 0 229.412 1.678 20 0 BDADRP Cc1ncccc1CC[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000902514165 584629598 /nfs/dbraw/zinc/62/95/98/584629598.db2.gz RJQRHBJGVACJNK-QWHCGFSZSA-N 2 0 219.332 1.402 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000902517014 584630208 /nfs/dbraw/zinc/63/02/08/584630208.db2.gz GCGMTLMIKICLBZ-FAAHXZRKSA-N 2 0 246.354 1.362 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2COC[C@@H]2C2CC2)C1 ZINC000902522023 584631641 /nfs/dbraw/zinc/63/16/41/584631641.db2.gz VEWZLXYNGAESFD-YVECIDJPSA-N 2 0 224.348 1.271 20 0 BDADRP Cl/C=C/C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000902522828 584632003 /nfs/dbraw/zinc/63/20/03/584632003.db2.gz YMTKZGAPOPLUJC-QQAFORCVSA-N 2 0 244.766 1.486 20 0 BDADRP Cl/C=C\C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000902523059 584632062 /nfs/dbraw/zinc/63/20/62/584632062.db2.gz ZTHYTBKPLLNAJJ-RFXCAHQWSA-N 2 0 214.740 1.717 20 0 BDADRP CCCN(C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CC[NH2+]C1 ZINC000903422367 584763863 /nfs/dbraw/zinc/76/38/63/584763863.db2.gz ADVJHHOVUFPWJA-FRRDWIJNSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)c2ncccn2)CC1 ZINC000903422433 584764794 /nfs/dbraw/zinc/76/47/94/584764794.db2.gz CPSWBZMWDZLJSN-GHMZBOCLSA-N 2 0 234.347 1.597 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCCOC1 ZINC000903458689 584765017 /nfs/dbraw/zinc/76/50/17/584765017.db2.gz GZPSWXSJZBELQE-RNJOBUHISA-N 2 0 226.364 1.519 20 0 BDADRP C[C@@H]1C[C@H](C)N(C[C@H]2CCC[NH2+]2)C[C@@H]1C[NH3+] ZINC000903459587 584765754 /nfs/dbraw/zinc/76/57/54/584765754.db2.gz LREFBHYGGPBBCC-MROQNXINSA-N 2 0 225.380 1.044 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CCCOC1 ZINC000903459458 584766131 /nfs/dbraw/zinc/76/61/31/584766131.db2.gz TZLSQODAVIQDBO-NDBYEHHHSA-N 2 0 226.364 1.247 20 0 BDADRP CC[N@@H+]1CC[C@H](N(C)C[C@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000903444279 584769159 /nfs/dbraw/zinc/76/91/59/584769159.db2.gz RMRDDTQAAUVAHF-MCIONIFRSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000903444728 584769480 /nfs/dbraw/zinc/76/94/80/584769480.db2.gz VMXGHARJWKZLER-MQYQWHSLSA-N 2 0 239.407 1.256 20 0 BDADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C[C@H]1CCC[NH2+]1 ZINC000903444520 584769642 /nfs/dbraw/zinc/76/96/42/584769642.db2.gz AZFRVBYJUUDVFN-HYWTVENDSA-N 2 0 223.364 1.083 20 0 BDADRP CC(C)[NH2+]C1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000903445716 584770283 /nfs/dbraw/zinc/77/02/83/584770283.db2.gz NTRAPAQNOCATOG-CYBMUJFWSA-N 2 0 225.380 1.201 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@H+]2[C@@H]3CCC[C@H]2CC([NH3+])C3)C1 ZINC000903446062 584770335 /nfs/dbraw/zinc/77/03/35/584770335.db2.gz RZQNTDXSOONIND-PJIALRRASA-N 3 0 237.391 1.458 20 0 BDADRP [NH3+]CCOc1ccc(NC[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000903447127 584770456 /nfs/dbraw/zinc/77/04/56/584770456.db2.gz GEPJSOJYCMPUHQ-NEPJUHHUSA-N 2 0 249.358 1.563 20 0 BDADRP [NH3+][C@@H]1CN(C[C@H]2CCC[NH2+]2)C[C@H]1c1ccccc1 ZINC000903451953 584771878 /nfs/dbraw/zinc/77/18/78/584771878.db2.gz FXOZZNOUOYVKOE-QLFBSQMISA-N 2 0 245.370 1.165 20 0 BDADRP C[C@@H]1CCN[C@H](C)[C@@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903454829 584773421 /nfs/dbraw/zinc/77/34/21/584773421.db2.gz KETUXBGZZKQRQW-NJMOYASZSA-N 2 0 225.380 1.090 20 0 BDADRP C(C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)OC1CC1 ZINC000903454450 584773463 /nfs/dbraw/zinc/77/34/63/584773463.db2.gz ZWSXQYQELAFJEZ-JSGCOSHPSA-N 2 0 238.375 1.629 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903454887 584773501 /nfs/dbraw/zinc/77/35/01/584773501.db2.gz MJYIYUPWAHAABD-WOPDTQHZSA-N 3 0 225.380 1.092 20 0 BDADRP COC[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)C(C)C ZINC000903470426 584774735 /nfs/dbraw/zinc/77/47/35/584774735.db2.gz BLWUGEBKONUVCG-QWHCGFSZSA-N 2 0 240.391 1.779 20 0 BDADRP C(C[C@@H]1CCC[NH2+]C1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903471865 584775310 /nfs/dbraw/zinc/77/53/10/584775310.db2.gz VDYKPXCIRLTZDK-STQMWFEESA-N 3 0 237.391 1.250 20 0 BDADRP [NH3+]C[C@@H]1CCN(C[C@H]2CCC[NH2+]2)c2ccccc21 ZINC000903479717 584777928 /nfs/dbraw/zinc/77/79/28/584777928.db2.gz WZOFSHJWDOFBSH-QWHCGFSZSA-N 2 0 245.370 1.691 20 0 BDADRP COCC1([N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)CCC1 ZINC000903482451 584778548 /nfs/dbraw/zinc/77/85/48/584778548.db2.gz IIFKRRYHNJOLKJ-NEPJUHHUSA-N 2 0 226.364 1.615 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1CC[NH2+]C12CCCC2 ZINC000903482206 584778644 /nfs/dbraw/zinc/77/86/44/584778644.db2.gz ZHAWFSPEPWEDNK-AGIUHOORSA-N 2 0 237.391 1.106 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccnc(N)c2)C[C@H]1CC[NH3+] ZINC000903500343 584780149 /nfs/dbraw/zinc/78/01/49/584780149.db2.gz XSTRUEKGXUNXEZ-ZYHUDNBSSA-N 2 0 234.347 1.081 20 0 BDADRP [NH3+]CCC[N@@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000903491074 584780861 /nfs/dbraw/zinc/78/08/61/584780861.db2.gz UIWLVYIZRVZYCC-MRVPVSSYSA-N 2 0 240.244 1.702 20 0 BDADRP Cn1ccc([C@H]2CCC[N@H+](C[C@@H]3CC[NH2+]C3)C2)n1 ZINC000903564447 584782315 /nfs/dbraw/zinc/78/23/15/584782315.db2.gz VESXEJAJHDNAAO-OLZOCXBDSA-N 2 0 248.374 1.209 20 0 BDADRP CC1(C)C[N@H+](CCC2CC[NH2+]CC2)C[C@@H]1N ZINC000903557934 584782812 /nfs/dbraw/zinc/78/28/12/584782812.db2.gz IEUNUDNOFFPUMZ-LBPRGKRZSA-N 2 0 225.380 1.045 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903716536 584791783 /nfs/dbraw/zinc/79/17/83/584791783.db2.gz OKWDHEQLSKXZFQ-QWHCGFSZSA-N 3 0 239.407 1.435 20 0 BDADRP C[N@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)C1CCCC1 ZINC000903717951 584792222 /nfs/dbraw/zinc/79/22/22/584792222.db2.gz GKDUGBOBMJOXBM-KGLIPLIRSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@@H]1CCC[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903717551 584792266 /nfs/dbraw/zinc/79/22/66/584792266.db2.gz ROUROUUMKJIFMA-MGPQQGTHSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903727359 584792934 /nfs/dbraw/zinc/79/29/34/584792934.db2.gz SWBSTAGQSPXHFG-AGIUHOORSA-N 2 0 224.348 1.097 20 0 BDADRP C[N@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CCC1 ZINC000903728882 584793217 /nfs/dbraw/zinc/79/32/17/584793217.db2.gz GRVWHFGIPWIJFP-ZDUSSCGKSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCCN(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903715871 584794342 /nfs/dbraw/zinc/79/43/42/584794342.db2.gz BBDQNLABSKWBAP-BFHYXJOUSA-N 2 0 239.407 1.435 20 0 BDADRP CN(C[C@@H]1CCCC[NH2+]C1)[C@@H](C[NH3+])C1CC1 ZINC000903750018 584794520 /nfs/dbraw/zinc/79/45/20/584794520.db2.gz UAGOEEYTJOASNN-YPMHNXCESA-N 2 0 225.380 1.045 20 0 BDADRP CC[C@@H]1CN(C[C@@H]2CCCC[NH2+]C2)CC[C@H]1[NH3+] ZINC000903747071 584794769 /nfs/dbraw/zinc/79/47/69/584794769.db2.gz OWWVEZPIHQXNGJ-MGPQQGTHSA-N 2 0 239.407 1.435 20 0 BDADRP [NH3+]CC[C@@H]1CCCCN1C[C@@H]1CCCC[NH2+]C1 ZINC000903749902 584795036 /nfs/dbraw/zinc/79/50/36/584795036.db2.gz RWIYYNXHZFERBV-KGLIPLIRSA-N 2 0 239.407 1.579 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]1NC[C@H]1CCCC[NH2+]C1 ZINC000903752956 584796265 /nfs/dbraw/zinc/79/62/65/584796265.db2.gz QOHGOCJTIZQGFG-QWHCGFSZSA-N 2 0 239.407 1.354 20 0 BDADRP CC1CC(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000903744385 584796486 /nfs/dbraw/zinc/79/64/86/584796486.db2.gz RMSZICUPDYYZBQ-WXRRBKDZSA-N 2 0 208.349 1.718 20 0 BDADRP C([C@@H]1CCCC[NH2+]C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000903741740 584796906 /nfs/dbraw/zinc/79/69/06/584796906.db2.gz SHSTVZJIDNGUDN-TZMCWYRMSA-N 2 0 237.391 1.202 20 0 BDADRP C(N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1CCCC[NH2+]C1 ZINC000903769846 584797889 /nfs/dbraw/zinc/79/78/89/584797889.db2.gz PMHUJNLLPXFATC-CHWSQXEVSA-N 2 0 237.391 1.250 20 0 BDADRP CC(C)(C[NH3+])C1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000903791306 584798577 /nfs/dbraw/zinc/79/85/77/584798577.db2.gz RSGSUVQDXVUGBE-CYBMUJFWSA-N 2 0 239.407 1.435 20 0 BDADRP CCN(C[C@@H]1CCCC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000903783843 584800403 /nfs/dbraw/zinc/80/04/03/584800403.db2.gz FJDRYIOUFVJTKN-CHWSQXEVSA-N 2 0 225.380 1.060 20 0 BDADRP [NH3+]CCC[N@@H+]1CCCSC[C@H]1C1CC1 ZINC000903825704 584804709 /nfs/dbraw/zinc/80/47/09/584804709.db2.gz CPSLQPLZJGPEMU-NSHDSACASA-N 2 0 214.378 1.553 20 0 BDADRP C[C@H]1CCOCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000903831646 584806107 /nfs/dbraw/zinc/80/61/07/584806107.db2.gz LTDIPFAPBOJFLN-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCOC(F)F)C2 ZINC000903838845 584807265 /nfs/dbraw/zinc/80/72/65/584807265.db2.gz FYXAIKAZENUFBQ-CIUDSAMLSA-N 2 0 220.263 1.037 20 0 BDADRP [NH3+]C[C@]12CC[C@@H]1CCN2C[C@@H]1CCCC[NH2+]C1 ZINC000903862647 584813391 /nfs/dbraw/zinc/81/33/91/584813391.db2.gz AZINHDVXAYENHZ-MGPQQGTHSA-N 3 0 237.391 1.189 20 0 BDADRP C([C@H]1CCCC[NH2+]C1)N1CCC[C@]12CC[NH2+]C2 ZINC000903869640 584814531 /nfs/dbraw/zinc/81/45/31/584814531.db2.gz JGJNJXNYQWTAND-UONOGXRCSA-N 2 0 237.391 1.204 20 0 BDADRP C[C@]12CSC[C@H]1C[N@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000903871960 584815211 /nfs/dbraw/zinc/81/52/11/584815211.db2.gz UIPBLFCZWNWINV-UPJWGTAASA-N 2 0 240.416 1.671 20 0 BDADRP CC(C)CC[C@H](O)CN1CCC[C@]12CC[NH2+]C2 ZINC000903871411 584815426 /nfs/dbraw/zinc/81/54/26/584815426.db2.gz UEZVTYBOIKBLDM-UONOGXRCSA-N 2 0 240.391 1.611 20 0 BDADRP CCC(CC)(CO)[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903899253 584820336 /nfs/dbraw/zinc/82/03/36/584820336.db2.gz RLVWNSFHKVTRMN-MRVPVSSYSA-N 2 0 224.295 1.110 20 0 BDADRP CN(CCC[NH+]1CCCC1)C[C@@H]([NH3+])CC(F)F ZINC000903904429 584820984 /nfs/dbraw/zinc/82/09/84/584820984.db2.gz VGDTXCXMBABLIK-NSHDSACASA-N 2 0 249.349 1.387 20 0 BDADRP [NH3+][C@@H](CC(F)F)CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000903905419 584821225 /nfs/dbraw/zinc/82/12/25/584821225.db2.gz FHJUBHMFPYMYQU-CMPLNLGQSA-N 2 0 247.333 1.044 20 0 BDADRP CC(C)[C@H]([NH3+])CNCc1cccc2c1CC[NH2+]C2 ZINC000903915304 584821485 /nfs/dbraw/zinc/82/14/85/584821485.db2.gz AEZPUEMBNUESOE-OAHLLOKOSA-N 2 0 247.386 1.405 20 0 BDADRP C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903913643 584822391 /nfs/dbraw/zinc/82/23/91/584822391.db2.gz QNMURLLAADYNHU-RISCZKNCSA-N 2 0 246.354 1.287 20 0 BDADRP CC(C)n1nccc1C[NH2+]CCC(C)(C)[NH3+] ZINC000903939524 584822633 /nfs/dbraw/zinc/82/26/33/584822633.db2.gz IIGUSKNAGQYLPU-UHFFFAOYSA-N 2 0 224.352 1.681 20 0 BDADRP C([NH2+][C@@H]1CC12CC[NH2+]CC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903919049 584823120 /nfs/dbraw/zinc/82/31/20/584823120.db2.gz KVRFMKZPTGCLCB-WTUNAVPPSA-N 3 0 249.402 1.249 20 0 BDADRP CC[C@H]([NH3+])CNCc1cccc2c1CC[NH2+]C2 ZINC000903918796 584823244 /nfs/dbraw/zinc/82/32/44/584823244.db2.gz IHFUZGCWSSJSJI-ZDUSSCGKSA-N 2 0 233.359 1.159 20 0 BDADRP CC[C@H]1C[C@@H](C[NH2+]CCC(C)(C)[NH3+])CCO1 ZINC000903939182 584823426 /nfs/dbraw/zinc/82/34/26/584823426.db2.gz SXZKUJBQOHUALU-RYUDHWBXSA-N 2 0 228.380 1.909 20 0 BDADRP c1cncc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000903925160 584823681 /nfs/dbraw/zinc/82/36/81/584823681.db2.gz LDEJOINOFSDTAG-AGUYFDCRSA-N 2 0 231.343 1.702 20 0 BDADRP [NH3+][C@@H](C[NH2+]CCc1ccccn1)CC(F)F ZINC000903925227 584823815 /nfs/dbraw/zinc/82/38/15/584823815.db2.gz MPPHWWPNOJRJGR-SECBINFHSA-N 2 0 229.274 1.196 20 0 BDADRP C1=C[C@H]([NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000903934073 584824783 /nfs/dbraw/zinc/82/47/83/584824783.db2.gz ZPJVQEPYRNJEKY-NWDGAFQWSA-N 2 0 247.346 1.011 20 0 BDADRP [NH3+]CCCCCC[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903932110 584825228 /nfs/dbraw/zinc/82/52/28/584825228.db2.gz MNZIOFAQYGZRQR-AGUYFDCRSA-N 3 0 239.407 1.626 20 0 BDADRP CC1(C)C[NH2+]CC[C@H](NC[C@H]([NH3+])CC(F)F)C1 ZINC000903934888 584825689 /nfs/dbraw/zinc/82/56/89/584825689.db2.gz KCTCKJSBMRJCRT-ZJUUUORDSA-N 2 0 249.349 1.337 20 0 BDADRP COc1ccsc1C[NH2+]CCC(C)(C)[NH3+] ZINC000903938554 584826190 /nfs/dbraw/zinc/82/61/90/584826190.db2.gz GHLPSHWHIASHNB-UHFFFAOYSA-N 2 0 228.361 1.974 20 0 BDADRP C([NH2+][C@]12CCC[C@H]1[NH2+]CC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903937136 584826286 /nfs/dbraw/zinc/82/62/86/584826286.db2.gz BYAHIAWSJNVMRW-ZKXZWOTCSA-N 3 0 249.402 1.391 20 0 BDADRP [NH3+][C@@H](CC(F)F)CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000903916274 584827304 /nfs/dbraw/zinc/82/73/04/584827304.db2.gz GNIUNJRWSVKPQB-JQWIXIFHSA-N 2 0 247.333 1.044 20 0 BDADRP COC[C@@H](C)C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903959909 584827408 /nfs/dbraw/zinc/82/74/08/584827408.db2.gz RPMCFGJTLHBBJR-UONOGXRCSA-N 2 0 240.391 1.735 20 0 BDADRP Cc1nn(C(C)C)cc1C[NH2+]CCC(C)(C)[NH3+] ZINC000903939943 584828867 /nfs/dbraw/zinc/82/88/67/584828867.db2.gz RAXDYJOLFXDFEV-UHFFFAOYSA-N 2 0 238.379 1.989 20 0 BDADRP CCC1([NH3+])CCN([C@H]2C[NH2+]C[C@@H](C)C2)CC1 ZINC000903947989 584829444 /nfs/dbraw/zinc/82/94/44/584829444.db2.gz KFWAXCZHRACIAY-NWDGAFQWSA-N 2 0 225.380 1.188 20 0 BDADRP CC[N@@H+]1CC[C@@H](NCc2cc(N)cc[nH+]2)[C@H](C)C1 ZINC000903950162 584830867 /nfs/dbraw/zinc/83/08/67/584830867.db2.gz JBYQWMVQHAAIFU-BXUZGUMPSA-N 2 0 248.374 1.484 20 0 BDADRP Nc1cc[nH+]c(CN[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000903954778 584832035 /nfs/dbraw/zinc/83/20/35/584832035.db2.gz VJLBNYJVTFYQDH-ONGXEEELSA-N 2 0 220.320 1.023 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903979016 584832986 /nfs/dbraw/zinc/83/29/86/584832986.db2.gz RZIAADFTDCUTET-AAVRWANBSA-N 3 0 239.407 1.352 20 0 BDADRP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903979017 584833072 /nfs/dbraw/zinc/83/30/72/584833072.db2.gz RZIAADFTDCUTET-RQJABVFESA-N 3 0 239.407 1.352 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1NC1CC[NH+](CC2CC2)CC1 ZINC000903964613 584834142 /nfs/dbraw/zinc/83/41/42/584834142.db2.gz RSFPRXDITTVJNK-BXUZGUMPSA-N 2 0 237.391 1.058 20 0 BDADRP C[C@@H](CCC(F)(F)F)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000903964791 584834405 /nfs/dbraw/zinc/83/44/05/584834405.db2.gz VYZQKMPZTJKNQH-HRDYMLBCSA-N 2 0 224.270 1.915 20 0 BDADRP CCCN(Cc1ccc(C[NH3+])cc1)[C@@H]1CC[NH2+]C1 ZINC000904299850 584860449 /nfs/dbraw/zinc/86/04/49/584860449.db2.gz PRYODJNIBVKJKB-OAHLLOKOSA-N 2 0 247.386 1.719 20 0 BDADRP C[NH2+][C@H]1CCCN(C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904299771 584860878 /nfs/dbraw/zinc/86/08/78/584860878.db2.gz OBVPUSYRNKSQTB-STQMWFEESA-N 2 0 225.380 1.060 20 0 BDADRP C[C@@H]1CN(C[C@H]([NH3+])CCC(C)(C)C)C[C@H](C)[NH2+]1 ZINC000904299845 584860921 /nfs/dbraw/zinc/86/09/21/584860921.db2.gz PRVQSHAJGWNCTA-FRRDWIJNSA-N 2 0 241.423 1.822 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC000904302070 584861986 /nfs/dbraw/zinc/86/19/86/584861986.db2.gz UTIWNODWIWFPLO-SMDDNHRTSA-N 2 0 233.359 1.314 20 0 BDADRP CNC(=O)CCN(C)C[C@@H]([NH3+])CCC(C)(C)C ZINC000904316362 584862381 /nfs/dbraw/zinc/86/23/81/584862381.db2.gz MZLRXZXXTUCGKR-NSHDSACASA-N 2 0 243.395 1.208 20 0 BDADRP C[C@@]1(C[NH+]2CCC(CCO)CC2)CCC[NH2+]C1 ZINC000904307275 584862533 /nfs/dbraw/zinc/86/25/33/584862533.db2.gz OBEINANEGUELLI-CQSZACIVSA-N 2 0 240.391 1.471 20 0 BDADRP C[C@@H](O)C(C)(C)[NH2+]C[C@H]([NH3+])CCC(C)(C)C ZINC000904330077 584865749 /nfs/dbraw/zinc/86/57/49/584865749.db2.gz YLRWVBZAYZTLOC-GHMZBOCLSA-N 2 0 230.396 1.889 20 0 BDADRP C[C@H](c1cccnc1)[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904330750 584865767 /nfs/dbraw/zinc/86/57/67/584865767.db2.gz BHQCWPGBTOXVQQ-WZRBSPASSA-N 2 0 219.332 1.812 20 0 BDADRP CC(C)CO[C@@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904329334 584866069 /nfs/dbraw/zinc/86/60/69/584866069.db2.gz WLHYNVGNDSUPJU-FRRDWIJNSA-N 2 0 226.364 1.471 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CN1CC[C@](C)(C[NH3+])C1 ZINC000904334555 584866412 /nfs/dbraw/zinc/86/64/12/584866412.db2.gz ZBBQSWMXPOUMSF-GXTWGEPZSA-N 2 0 241.423 1.811 20 0 BDADRP C[C@H](O)CN(C)C[C@@H]([NH3+])CCC(C)(C)C ZINC000904335600 584866775 /nfs/dbraw/zinc/86/67/75/584866775.db2.gz GUVVMJINBJSBOC-QWRGUYRKSA-N 2 0 216.369 1.453 20 0 BDADRP C[C@@H](O)C[C@H]1CCCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904340923 584867369 /nfs/dbraw/zinc/86/73/69/584867369.db2.gz NZWRNMBHRPGALK-FVCCEPFGSA-N 2 0 226.364 1.349 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)[C@H](C)O1 ZINC000904345700 584868441 /nfs/dbraw/zinc/86/84/41/584868441.db2.gz IZMPNKNBJDHSEG-IIRVCBMXSA-N 2 0 212.337 1.221 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@]2(C)CCC[NH2+]C2)C[C@H]1O ZINC000904346569 584868655 /nfs/dbraw/zinc/86/86/55/584868655.db2.gz UFGAJKAFTLMTJX-JHJVBQTASA-N 2 0 226.364 1.079 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CNC[C@@H]1CCC[NH2+]1 ZINC000904353773 584870119 /nfs/dbraw/zinc/87/01/19/584870119.db2.gz QXNWDOGTOGZAER-NEPJUHHUSA-N 2 0 227.396 1.482 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000904354455 584870374 /nfs/dbraw/zinc/87/03/74/584870374.db2.gz YUKDSQMQUYSPMI-NSHDSACASA-N 2 0 249.358 1.073 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000904354507 584870415 /nfs/dbraw/zinc/87/04/15/584870415.db2.gz AJSVNNBXKNNBAY-FRRDWIJNSA-N 2 0 241.423 2.000 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CNC[C@H]([NH3+])C1CC1 ZINC000904354548 584870423 /nfs/dbraw/zinc/87/04/23/584870423.db2.gz CCXVELUJWLDGOG-RYUDHWBXSA-N 2 0 227.396 1.467 20 0 BDADRP CC[C@@H]([NH3+])CNC[C@H]([NH3+])CCC(C)(C)C ZINC000904355055 584870921 /nfs/dbraw/zinc/87/09/21/584870921.db2.gz MIDQFPVDYXHOSQ-GHMZBOCLSA-N 2 0 215.385 1.467 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000904354848 584870924 /nfs/dbraw/zinc/87/09/24/584870924.db2.gz JTCDUNRFUXVCLP-AGIUHOORSA-N 3 0 241.423 1.857 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904354781 584870967 /nfs/dbraw/zinc/87/09/67/584870967.db2.gz GBUPOCJZDQZWKX-AWEZNQCLSA-N 3 0 247.386 1.623 20 0 BDADRP CC[C@H]([NH3+])CNC[C@@H]([NH3+])CCC(C)(C)C ZINC000904355057 584871001 /nfs/dbraw/zinc/87/10/01/584871001.db2.gz MIDQFPVDYXHOSQ-QWRGUYRKSA-N 2 0 215.385 1.467 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H]([NH3+])CCC(C)(C)C ZINC000904355644 584871482 /nfs/dbraw/zinc/87/14/82/584871482.db2.gz VMQWGJAUVVYOFF-NEPJUHHUSA-N 3 0 229.412 1.857 20 0 BDADRP Cc1noc(C)c1C[C@@H](C)[NH2+]C1CC(C[NH3+])C1 ZINC000904359511 584871610 /nfs/dbraw/zinc/87/16/10/584871610.db2.gz PQVRFAZJMNOEET-HUUUCTMMSA-N 2 0 237.347 1.549 20 0 BDADRP [NH3+]CCN1CCC([NH2+]Cc2cccs2)CC1 ZINC000904359836 584871629 /nfs/dbraw/zinc/87/16/29/584871629.db2.gz FAYOYWZWRPDOPM-UHFFFAOYSA-N 2 0 239.388 1.261 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+]CCc2ccccc2F)C1 ZINC000904359885 584871750 /nfs/dbraw/zinc/87/17/50/584871750.db2.gz GJSVWFZZKYLYGJ-KLPPZKSPSA-N 2 0 222.307 1.695 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)C1 ZINC000904361266 584871883 /nfs/dbraw/zinc/87/18/83/584871883.db2.gz ZKYGUFKSAZTWMN-OBPIAQAESA-N 2 0 224.348 1.271 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CN[C@@H]1CC[NH2+]C1(C)C ZINC000904358810 584872426 /nfs/dbraw/zinc/87/24/26/584872426.db2.gz SNPNKARAAFDCSL-VXGBXAGGSA-N 2 0 241.423 1.870 20 0 BDADRP Cc1cccc(OCC[NH2+]C2CC(C[NH3+])C2)c1 ZINC000904367515 584872747 /nfs/dbraw/zinc/87/27/47/584872747.db2.gz DJDOCGRQEWFTAI-UHFFFAOYSA-N 2 0 234.343 1.701 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2ccc(C[NH3+])cc2)C[C@H]1C[NH3+] ZINC000904372218 584873279 /nfs/dbraw/zinc/87/32/79/584873279.db2.gz ZSSIOLDTMIPQMQ-IUODEOHRSA-N 3 0 247.386 1.562 20 0 BDADRP C[C@@H]1CCN(C[C@]2(C)CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000904371070 584873387 /nfs/dbraw/zinc/87/33/87/584873387.db2.gz IMTOJDCYYAUWQC-MGPQQGTHSA-N 2 0 239.407 1.293 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NC[C@]1(C)CCC[NH2+]C1 ZINC000904374930 584874477 /nfs/dbraw/zinc/87/44/77/584874477.db2.gz YLVKETCQDJEUMD-QJPTWQEYSA-N 2 0 213.369 1.092 20 0 BDADRP Cc1nc(C[NH2+]C2CC(C[NH3+])C2)sc1C ZINC000904362976 584874496 /nfs/dbraw/zinc/87/44/96/584874496.db2.gz VPABNNIYZWZDSU-UHFFFAOYSA-N 2 0 225.361 1.587 20 0 BDADRP C[C@@H](C[NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccncc1 ZINC000904381502 584876657 /nfs/dbraw/zinc/87/66/57/584876657.db2.gz WSSGKJVYPIWYQA-GMXVVIOVSA-N 2 0 219.332 1.512 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@]2(C)CCC[NH2+]C2)C[C@@H]1CO ZINC000904381588 584877484 /nfs/dbraw/zinc/87/74/84/584877484.db2.gz ZERDAMOKVKWUSE-MGPQQGTHSA-N 2 0 240.391 1.326 20 0 BDADRP CCC1([NH3+])CCN(C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904386140 584877738 /nfs/dbraw/zinc/87/77/38/584877738.db2.gz QFUXDLGMCDUEEX-CYBMUJFWSA-N 2 0 239.407 1.579 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]C2CCN(CC[NH3+])CC2)C1 ZINC000904386428 584877944 /nfs/dbraw/zinc/87/79/44/584877944.db2.gz ZUWPQQAWSMGLDH-DGCLKSJQSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@]1(CNCc2cc(N)cc[nH+]2)CCC[NH2+]C1 ZINC000904386301 584878003 /nfs/dbraw/zinc/87/80/03/584878003.db2.gz VVBBCMOHHMMBBP-CYBMUJFWSA-N 2 0 234.347 1.143 20 0 BDADRP CCOc1cccc(C[N@@H+]2CC[C@H](CC[NH3+])C2)n1 ZINC000904405667 584878748 /nfs/dbraw/zinc/87/87/48/584878748.db2.gz MHQLGHYYWCWWTA-LBPRGKRZSA-N 2 0 249.358 1.651 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccc(C[NH3+])cc2)CC[C@@H]1C[NH3+] ZINC000904410919 584878877 /nfs/dbraw/zinc/87/88/77/584878877.db2.gz RSEHBIOTRIALNU-IUODEOHRSA-N 3 0 247.386 1.562 20 0 BDADRP CC(C)NC(=O)C[N@H+](C)CCCCCCC[NH3+] ZINC000842471719 584897411 /nfs/dbraw/zinc/89/74/11/584897411.db2.gz VCNSULUNZWVWRM-UHFFFAOYSA-N 2 0 243.395 1.352 20 0 BDADRP C/C=C/C[C@@H](CO)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000186521699 584912155 /nfs/dbraw/zinc/91/21/55/584912155.db2.gz GSUYBGPBSXGVHX-NNTXTVRGSA-N 2 0 240.391 1.776 20 0 BDADRP Cc1ccc([C@@H](O)C[NH2+][C@H](C)CCCC[NH3+])o1 ZINC000817911980 584990846 /nfs/dbraw/zinc/99/08/46/584990846.db2.gz CZGXSEZCINOYGQ-PWSUYJOCSA-N 2 0 240.347 1.729 20 0 BDADRP C[C@@H]1CCC[N@@H+]1CCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000817913698 584991329 /nfs/dbraw/zinc/99/13/29/584991329.db2.gz QUCNESMWVSAIAF-MGPQQGTHSA-N 2 0 239.407 1.720 20 0 BDADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)C2CC2)C1 ZINC000838864224 585075969 /nfs/dbraw/zinc/07/59/69/585075969.db2.gz GXFOKTDAYLNRTP-TZMCWYRMSA-N 2 0 240.391 1.421 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)C2CC2)C[C@@H]1C ZINC000838863813 585076175 /nfs/dbraw/zinc/07/61/75/585076175.db2.gz QCQZZJACCVALTD-UBHSHLNASA-N 2 0 240.391 1.562 20 0 BDADRP C(C1CC1)[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC000742367608 585125111 /nfs/dbraw/zinc/12/51/11/585125111.db2.gz ZUEMUMZXRGVTHR-UHFFFAOYSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@@H](CCO)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000753767915 585268643 /nfs/dbraw/zinc/26/86/43/585268643.db2.gz GGYIOUJCQMVNIP-STQMWFEESA-N 2 0 228.380 1.611 20 0 BDADRP C[NH+](C)[C@@H]1CCC[N@H+](CCCCCCO)CC1 ZINC000759976924 585383594 /nfs/dbraw/zinc/38/35/94/585383594.db2.gz NANVBWDDFJPMRD-CQSZACIVSA-N 2 0 242.407 1.955 20 0 BDADRP CC[N@@H+]1CCN(CC[NH+]2CCCC2)C[C@@H]1C ZINC000760886190 585401143 /nfs/dbraw/zinc/40/11/43/585401143.db2.gz MIAKPXKFASBOQW-ZDUSSCGKSA-N 2 0 225.380 1.108 20 0 BDADRP CC[N@@H+]1C[C@@H](C)N(c2cc(C)[nH+]c(N)n2)C[C@@H]1C ZINC000765640112 585491802 /nfs/dbraw/zinc/49/18/02/585491802.db2.gz GSMNZDIBPFDAMG-WDEREUQCSA-N 2 0 249.362 1.286 20 0 BDADRP CC[N@@H+]1C[C@H](C)N(c2cc(C)[nH+]c(N)n2)C[C@@H]1C ZINC000765640107 585491930 /nfs/dbraw/zinc/49/19/30/585491930.db2.gz GSMNZDIBPFDAMG-QWRGUYRKSA-N 2 0 249.362 1.286 20 0 BDADRP FCCC[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000766012681 585495847 /nfs/dbraw/zinc/49/58/47/585495847.db2.gz IVQBHSDOUYRCGW-UHFFFAOYSA-N 2 0 243.370 1.059 20 0 BDADRP O=C(CC[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1)C1CC1 ZINC000767429205 585520143 /nfs/dbraw/zinc/52/01/43/585520143.db2.gz MDXOCBZKKWPXAT-GFCCVEGCSA-N 2 0 247.342 1.958 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CCOC2CCC2)[C@H](C)C1 ZINC000777119737 585708859 /nfs/dbraw/zinc/70/88/59/585708859.db2.gz CQQROETWMFFOTO-OCCSQVGLSA-N 2 0 240.391 1.875 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@H](C)CCO ZINC000779337764 585751624 /nfs/dbraw/zinc/75/16/24/585751624.db2.gz DHQOKAMUNBJTRZ-LLVKDONJSA-N 2 0 202.342 1.079 20 0 BDADRP C[C@H](C[NH2+][C@H](C)CCO)C[NH+]1CCCC1 ZINC000779340699 585751709 /nfs/dbraw/zinc/75/17/09/585751709.db2.gz IZTPHCWBQQQRSB-VXGBXAGGSA-N 2 0 214.353 1.079 20 0 BDADRP CCCC[NH+]1CCC([NH2+][C@@H](C)CCO)CC1 ZINC000779343233 585752031 /nfs/dbraw/zinc/75/20/31/585752031.db2.gz XJYOWVVZAIXJAC-LBPRGKRZSA-N 2 0 228.380 1.611 20 0 BDADRP C[C@H](C[NH2+][C@H](C)CCO)C[NH+]1CCCCC1 ZINC000779393285 585753011 /nfs/dbraw/zinc/75/30/11/585753011.db2.gz RDPZRCHTMZVALF-CHWSQXEVSA-N 2 0 228.380 1.469 20 0 BDADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)CCO)C1 ZINC000779411702 585753993 /nfs/dbraw/zinc/75/39/93/585753993.db2.gz GPKLMHJNPRJDIE-UONOGXRCSA-N 2 0 242.407 1.715 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CC[C@@H]1C)CN1CC[NH+](C)CC1 ZINC000783234872 585831566 /nfs/dbraw/zinc/83/15/66/585831566.db2.gz AATXCLXBZQGWFJ-HZSPNIEDSA-N 2 0 239.407 1.258 20 0 BDADRP COCCC[NH+]1CCC([NH2+][C@H]2CC[C@@H]2C)CC1 ZINC000783235744 585831615 /nfs/dbraw/zinc/83/16/15/585831615.db2.gz BRFOEFNNUSUALA-JSGCOSHPSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[C@@H]1C ZINC000783295409 585833237 /nfs/dbraw/zinc/83/32/37/585833237.db2.gz VAXIMHHWCLHVMM-BFHYXJOUSA-N 2 0 239.407 1.401 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000788468977 585925113 /nfs/dbraw/zinc/92/51/13/585925113.db2.gz CPGAJJAQUIVFBD-UHFFFAOYSA-N 2 0 226.364 1.439 20 0 BDADRP CN(C)[C@@H]1CCC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000788475121 585925167 /nfs/dbraw/zinc/92/51/67/585925167.db2.gz BEHPUTNODOLQDE-CQSZACIVSA-N 2 0 239.407 1.354 20 0 BDADRP CC[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000788489877 585925516 /nfs/dbraw/zinc/92/55/16/585925516.db2.gz SRVXXAQIEGOFKL-UONOGXRCSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CC(C)(C)O ZINC000795156061 586069871 /nfs/dbraw/zinc/06/98/71/586069871.db2.gz BGIBPNAZHJNSIU-GFCCVEGCSA-N 2 0 249.358 1.363 20 0 BDADRP CC[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000799308965 586169346 /nfs/dbraw/zinc/16/93/46/586169346.db2.gz HMNYCHOQBYGULE-RWMBFGLXSA-N 2 0 228.380 1.419 20 0 BDADRP CC[C@@H](C(=O)N[C@@H](C[NH+](C)C)C(C)C)[NH+](C)C ZINC000840344939 586815022 /nfs/dbraw/zinc/81/50/22/586815022.db2.gz MWPATCXORKBGRV-RYUDHWBXSA-N 2 0 243.395 1.029 20 0 BDADRP c1ccc2c(c1)C[C@H](C[NH2+]C1CC[NH2+]CC1)CO2 ZINC000817892635 586833003 /nfs/dbraw/zinc/83/30/03/586833003.db2.gz VTDCKOGZGZXMEU-GFCCVEGCSA-N 2 0 246.354 1.579 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1CSCCS1 ZINC000817897799 586835162 /nfs/dbraw/zinc/83/51/62/586835162.db2.gz BCKRLOSKGYZCIX-AEJSXWLSSA-N 2 0 234.434 1.550 20 0 BDADRP CSC(C)(C)C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000817901466 586836367 /nfs/dbraw/zinc/83/63/67/586836367.db2.gz VUVOMOJGESVGBB-HBNTYKKESA-N 2 0 246.420 1.470 20 0 BDADRP CC(C)C[C@H](O)C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000817905128 586836957 /nfs/dbraw/zinc/83/69/57/586836957.db2.gz BLBQBPHBYIMWIB-YNEHKIRRSA-N 2 0 228.380 1.643 20 0 BDADRP CC[C@@H]([NH2+]C1CCC(C)(O)CC1)[C@@H]1CCC[NH2+]1 ZINC000817912070 586837983 /nfs/dbraw/zinc/83/79/83/586837983.db2.gz DGFKZBPWXSUXRO-DKNRTOFZSA-N 2 0 240.391 1.800 20 0 BDADRP C[C@@H](NC[C@H](C)[NH+]1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000817913187 586838135 /nfs/dbraw/zinc/83/81/35/586838135.db2.gz HHVFZHVXUMJGRW-MJBXVCDLSA-N 2 0 239.407 1.591 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)c1ccco1 ZINC000817912329 586838529 /nfs/dbraw/zinc/83/85/29/586838529.db2.gz ABKRUQWMRKIQBX-SRVKXCTJSA-N 2 0 238.331 1.420 20 0 BDADRP Cc1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])o1 ZINC000817913693 586839756 /nfs/dbraw/zinc/83/97/56/586839756.db2.gz QSNMHUUATSVCAZ-IJLUTSLNSA-N 2 0 238.331 1.338 20 0 BDADRP C[C@@H](CSC(C)(C)C)[NH2+]CCC[NH3+] ZINC000817938100 586844575 /nfs/dbraw/zinc/84/45/75/586844575.db2.gz DLNCZDNMKRNBKM-VIFPVBQESA-N 2 0 204.383 1.845 20 0 BDADRP C[C@H]1CC[NH2+]C[C@H]1NCc1ccc(CC[NH3+])cc1 ZINC000817948176 586847216 /nfs/dbraw/zinc/84/72/16/586847216.db2.gz FWGLAOFPBODLAZ-SWLSCSKDSA-N 2 0 247.386 1.275 20 0 BDADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)C2CC2)C1 ZINC000818984904 586919103 /nfs/dbraw/zinc/91/91/03/586919103.db2.gz MUABTTZSSVDASO-OCCSQVGLSA-N 2 0 240.391 1.467 20 0 BDADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)C2CC2)C1 ZINC000818981218 586919865 /nfs/dbraw/zinc/91/98/65/586919865.db2.gz STIIILNIMOIQIB-WCQYABFASA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H]([NH2+]C[C@H](O)C1CC1)C(C)(C)C[NH+](C)C ZINC000819101545 586930850 /nfs/dbraw/zinc/93/08/50/586930850.db2.gz AOZISKVYDCKXEX-PWSUYJOCSA-N 2 0 228.380 1.323 20 0 BDADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)C2CC2)C1 ZINC000819151910 586933609 /nfs/dbraw/zinc/93/36/09/586933609.db2.gz HSICJGYVBPFAKW-GXTWGEPZSA-N 2 0 240.391 1.325 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2CC[C@@H](OC)C2)C1 ZINC000821386127 587115191 /nfs/dbraw/zinc/11/51/91/587115191.db2.gz IWWLWPDNHFTZCL-BFHYXJOUSA-N 2 0 240.391 1.828 20 0 BDADRP OC[C@H]1CCC[N@H+](Cc2cnc3n2CCC3)CC1 ZINC000826017553 587348484 /nfs/dbraw/zinc/34/84/84/587348484.db2.gz SXVHKEBEZHMUGS-LBPRGKRZSA-N 2 0 249.358 1.424 20 0 BDADRP CC[N@H+](CCNC(=O)CCCCC[NH3+])C(C)C ZINC000828319000 587434665 /nfs/dbraw/zinc/43/46/65/587434665.db2.gz ZJECDTFSHSMBNW-UHFFFAOYSA-N 2 0 243.395 1.352 20 0 BDADRP CC(C)(C)[NH2+]CCNC(=O)CCCCCC[NH3+] ZINC000830169952 587538504 /nfs/dbraw/zinc/53/85/04/587538504.db2.gz GKVDVFUMPUBWFY-UHFFFAOYSA-N 2 0 243.395 1.400 20 0 BDADRP CC(C)(C)[NH2+]CCNC(=O)c1cccc(C[NH3+])c1 ZINC000830170971 587540001 /nfs/dbraw/zinc/54/00/01/587540001.db2.gz PXCXMDMOWKMVHP-UHFFFAOYSA-N 2 0 249.358 1.263 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000831971247 587640337 /nfs/dbraw/zinc/64/03/37/587640337.db2.gz UHTVMTQBSFPQAG-DGCLKSJQSA-N 2 0 241.379 1.104 20 0 BDADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@@H]([NH3+])C1 ZINC000832243984 587652333 /nfs/dbraw/zinc/65/23/33/587652333.db2.gz CPTWVHHUJOWIJJ-GFCCVEGCSA-N 2 0 241.379 1.058 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)C[C@@H]([NH3+])C2CC2)cc1 ZINC000834536707 587758913 /nfs/dbraw/zinc/75/89/13/587758913.db2.gz OOTWFXHJOOPLOR-GFCCVEGCSA-N 2 0 233.315 1.211 20 0 BDADRP c1ccc([C@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)nc1 ZINC000836694239 587836003 /nfs/dbraw/zinc/83/60/03/587836003.db2.gz FLOIGXXENAJJTG-AWEZNQCLSA-N 2 0 245.370 1.871 20 0 BDADRP CC[NH+](CC)CCC[NH2+]C[C@@H](O)C1CC1 ZINC000840733293 587918598 /nfs/dbraw/zinc/91/85/98/587918598.db2.gz PUIJQXKPKTXISG-GFCCVEGCSA-N 2 0 214.353 1.079 20 0 BDADRP C[C@@H](CCO)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000840777909 587921668 /nfs/dbraw/zinc/92/16/68/587921668.db2.gz BLQVCEZMCUELQM-JTQLQIEISA-N 2 0 219.288 1.195 20 0 BDADRP CC(C)(C)[C@H]([NH2+]CCCCCCC[NH3+])C(N)=O ZINC000842472577 588029319 /nfs/dbraw/zinc/02/93/19/588029319.db2.gz FKBUNSYOKWPZHB-LLVKDONJSA-N 2 0 243.395 1.385 20 0 BDADRP c1ccc([C@H]2CC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)nc1 ZINC000842476114 588030069 /nfs/dbraw/zinc/03/00/69/588030069.db2.gz HCLJUPBDGYIJEF-KBPBESRZSA-N 2 0 245.370 1.871 20 0 BDADRP c1ccc([C@@H]2CC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)nc1 ZINC000842476117 588030152 /nfs/dbraw/zinc/03/01/52/588030152.db2.gz HCLJUPBDGYIJEF-ZIAGYGMSSA-N 2 0 245.370 1.871 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccc3c(c2)COC3)CC[C@@H]1[NH3+] ZINC000843051690 588076512 /nfs/dbraw/zinc/07/65/12/588076512.db2.gz KKFYQMSOJUEKIO-NHYWBVRUSA-N 2 0 246.354 1.886 20 0 BDADRP C[N@H+](C[C@@]1(C)CC[NH2+]C1)C1CCC([NH3+])CC1 ZINC000843054949 588077845 /nfs/dbraw/zinc/07/78/45/588077845.db2.gz ORDNEIUEAHOCRR-BPCQOVAHSA-N 3 0 225.380 1.188 20 0 BDADRP [NH3+]CCC[C@@H](NC1C[NH2+]C1)c1ccccc1 ZINC000843126721 588084052 /nfs/dbraw/zinc/08/40/52/588084052.db2.gz VRYMOZLLNZRNGO-CYBMUJFWSA-N 2 0 219.332 1.028 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]CCCCCC[NH3+])CC1 ZINC000843126214 588084503 /nfs/dbraw/zinc/08/45/03/588084503.db2.gz CZDIRNPIFYPDFC-UHFFFAOYSA-N 3 0 241.423 1.968 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCCCCC[NH3+])CCO1 ZINC000843342213 588101166 /nfs/dbraw/zinc/10/11/66/588101166.db2.gz ONFDIIAVHMSOOW-VXGBXAGGSA-N 2 0 214.353 1.663 20 0 BDADRP c1cn2c(n1)[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)CC2 ZINC000843341089 588101213 /nfs/dbraw/zinc/10/12/13/588101213.db2.gz ZEIZKACYKIUGIK-UMSGYPCISA-N 2 0 246.358 1.306 20 0 BDADRP [NH3+]CCCCCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000843344052 588101408 /nfs/dbraw/zinc/10/14/08/588101408.db2.gz OHKSZWIFCFWDCJ-NEPJUHHUSA-N 3 0 213.369 1.223 20 0 BDADRP C[C@@H]([NH2+]CCCCCC[NH3+])c1cnn(C)c1 ZINC000843343468 588101549 /nfs/dbraw/zinc/10/15/49/588101549.db2.gz UWXRBACSDCDXBU-LLVKDONJSA-N 2 0 224.352 1.590 20 0 BDADRP [NH3+]CCCCCCC[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000843348773 588102542 /nfs/dbraw/zinc/10/25/42/588102542.db2.gz XJRRBNROUADFLQ-GFCCVEGCSA-N 3 0 213.369 1.176 20 0 BDADRP CCCCOC(=O)CC[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000843349348 588102564 /nfs/dbraw/zinc/10/25/64/588102564.db2.gz VSSWHEXEGZOZRL-LBPRGKRZSA-N 2 0 242.363 1.261 20 0 BDADRP CCCCOC(=O)CC[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000843353969 588103275 /nfs/dbraw/zinc/10/32/75/588103275.db2.gz SXMAKQMLIWACCH-NWDGAFQWSA-N 2 0 242.363 1.389 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCCCCCC[NH3+] ZINC000843362305 588104679 /nfs/dbraw/zinc/10/46/79/588104679.db2.gz CMDHCJPXVIAIHC-CHWSQXEVSA-N 3 0 227.396 1.565 20 0 BDADRP [NH3+]CCCCCC(=O)N1CCCC[C@H]1CC[NH3+] ZINC000843477197 588114011 /nfs/dbraw/zinc/11/40/11/588114011.db2.gz PIFDULJVEVZCNU-LBPRGKRZSA-N 2 0 241.379 1.235 20 0 BDADRP C[C@H](C[NH3+])N(C)C(=O)CCCC[NH+]1CCCC1 ZINC000844164215 588171599 /nfs/dbraw/zinc/17/15/99/588171599.db2.gz NFZYOHKUMFZPGJ-GFCCVEGCSA-N 2 0 241.379 1.058 20 0 BDADRP Cn1nccc1[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000844222119 588174137 /nfs/dbraw/zinc/17/41/37/588174137.db2.gz VNDGFKVDMQAZJS-CHWSQXEVSA-N 2 0 248.374 1.209 20 0 BDADRP CC[N@H+](CCC[NH2+]C)CCc1ccccn1 ZINC000844221255 588174190 /nfs/dbraw/zinc/17/41/90/588174190.db2.gz BGVNHDHIZKMYFW-UHFFFAOYSA-N 2 0 221.348 1.556 20 0 BDADRP CC[C@H]1C[C@@H](C[NH2+]CCC2(C[NH3+])CC2)CCO1 ZINC000844904133 588218868 /nfs/dbraw/zinc/21/88/68/588218868.db2.gz ZTUXKCUWMHUPET-STQMWFEESA-N 2 0 240.391 1.910 20 0 BDADRP NC[C@H]1CCCC[N@@H+]1CCCCCC[NH3+] ZINC000846216926 588259464 /nfs/dbraw/zinc/25/94/64/588259464.db2.gz YCKBNAFEHJVTJD-GFCCVEGCSA-N 2 0 213.369 1.319 20 0 BDADRP [NH3+]CCCCCCN(CC[NH3+])Cc1ccccc1 ZINC000846220687 588261507 /nfs/dbraw/zinc/26/15/07/588261507.db2.gz UQZRMNGSLVZWFS-UHFFFAOYSA-N 2 0 249.402 1.966 20 0 BDADRP [NH3+]CCCCCCNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000846680621 588281986 /nfs/dbraw/zinc/28/19/86/588281986.db2.gz SYZZZVWQVGTZCW-GFCCVEGCSA-N 2 0 241.379 1.011 20 0 BDADRP CCCCOC(=O)CC[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000846708868 588283626 /nfs/dbraw/zinc/28/36/26/588283626.db2.gz WZPFNJWLLMWWBE-NEPJUHHUSA-N 2 0 242.363 1.531 20 0 BDADRP CCCCOC(=O)CC[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000846708871 588283894 /nfs/dbraw/zinc/28/38/94/588283894.db2.gz WZPFNJWLLMWWBE-VXGBXAGGSA-N 2 0 242.363 1.531 20 0 BDADRP C[C@@H]1CCC[N@@H+]1CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000848720185 588408237 /nfs/dbraw/zinc/40/82/37/588408237.db2.gz SUDPSCWKAFRLML-FRRDWIJNSA-N 2 0 225.380 1.330 20 0 BDADRP Cc1ncc(CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)s1 ZINC000848719447 588408630 /nfs/dbraw/zinc/40/86/30/588408630.db2.gz FKWKNGFBFNIQQV-QWRGUYRKSA-N 2 0 239.388 1.854 20 0 BDADRP CN1CCC([NH2+]CCCCCC[NH3+])CC1 ZINC000107801862 588409644 /nfs/dbraw/zinc/40/96/44/588409644.db2.gz HIFQRBCKBDYQCB-UHFFFAOYSA-N 2 0 213.369 1.189 20 0 BDADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=[NH2+])N1CCC1 ZINC000848982317 588424190 /nfs/dbraw/zinc/42/41/90/588424190.db2.gz FRBDNUKQIBPVDU-GFCCVEGCSA-N 2 0 238.379 1.481 20 0 BDADRP [NH2+]=C(NCC[NH+]1CCCCC1)NC1CCC1 ZINC000848983200 588424465 /nfs/dbraw/zinc/42/44/65/588424465.db2.gz ZDTSJILLCBEBBH-UHFFFAOYSA-N 2 0 224.352 1.139 20 0 BDADRP CC(C)C[C@@H](CNC(=[NH2+])N1CCC1)[NH+](C)C ZINC000848983947 588424811 /nfs/dbraw/zinc/42/48/11/588424811.db2.gz XWAVJCNCBCPYFL-NSHDSACASA-N 2 0 226.368 1.193 20 0 BDADRP CCNC(=[NH2+])NC[C@@H](CC(C)C)[NH+]1CCCC1 ZINC000848984163 588424850 /nfs/dbraw/zinc/42/48/50/588424850.db2.gz VCFAADJTTDIRGX-GFCCVEGCSA-N 2 0 240.395 1.631 20 0 BDADRP CCNC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000848984207 588425007 /nfs/dbraw/zinc/42/50/07/588425007.db2.gz YYZIHOBWQFUMRA-NSHDSACASA-N 2 0 226.368 1.241 20 0 BDADRP C[C@@H](CNC(=[NH2+])Nc1ccccn1)[NH+]1CCCC1 ZINC000848986700 588425939 /nfs/dbraw/zinc/42/59/39/588425939.db2.gz VQHBOJQBLZWNHM-NSHDSACASA-N 2 0 247.346 1.502 20 0 BDADRP C[C@H]1CCCC[N@@H+]1CCNC(=[NH2+])N1CCC1 ZINC000848987517 588426100 /nfs/dbraw/zinc/42/61/00/588426100.db2.gz CNBBGFJYUPRNGV-NSHDSACASA-N 2 0 224.352 1.091 20 0 BDADRP C[C@@H](CNC(=[NH2+])N(C)C)[N@@H+]1CCCC[C@H]1C ZINC000848987407 588426399 /nfs/dbraw/zinc/42/63/99/588426399.db2.gz ULAKZQIIFHUNMV-MNOVXSKESA-N 2 0 226.368 1.335 20 0 BDADRP CCNC(=[NH2+])NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000848988167 588426451 /nfs/dbraw/zinc/42/64/51/588426451.db2.gz JRYSUNOIYSLUCU-VXGBXAGGSA-N 2 0 240.395 1.488 20 0 BDADRP CC(C)CCNC(=[NH2+])NCCCC[NH+](C)C ZINC000848989856 588426749 /nfs/dbraw/zinc/42/67/49/588426749.db2.gz GYBZIDPSVGJOMP-UHFFFAOYSA-N 2 0 228.384 1.488 20 0 BDADRP CCN(CC)C(=[NH2+])NCCC[NH2+]C(C)(C)C ZINC000848993992 588428146 /nfs/dbraw/zinc/42/81/46/588428146.db2.gz CZQHOZQNMQAIPA-UHFFFAOYSA-N 2 0 228.384 1.631 20 0 BDADRP C[C@@H](CNC(=[NH2+])NC1CCC1)C[NH+]1CCCC1 ZINC000848994363 588428184 /nfs/dbraw/zinc/42/81/84/588428184.db2.gz FEKLZSXHCRHXHN-NSHDSACASA-N 2 0 238.379 1.385 20 0 BDADRP CCN(CC)C(=[NH2+])NC[C@@H](C)[NH+]1CCCCC1 ZINC000848995326 588428698 /nfs/dbraw/zinc/42/86/98/588428698.db2.gz FRVGRDYZFSTIAO-GFCCVEGCSA-N 2 0 240.395 1.727 20 0 BDADRP CC[C@H](C)NC(=[NH2+])NCC1CC[NH+](CC)CC1 ZINC000848996046 588429094 /nfs/dbraw/zinc/42/90/94/588429094.db2.gz DKOONHVYZXFSMP-NSHDSACASA-N 2 0 240.395 1.631 20 0 BDADRP CCNC(=[NH2+])NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000848997226 588429652 /nfs/dbraw/zinc/42/96/52/588429652.db2.gz LVHJSCYINYHMGR-NSHDSACASA-N 2 0 240.395 1.631 20 0 BDADRP C[C@@H](CNC(=[NH2+])N1CCC1)[NH+]1CCC(C)CC1 ZINC000848998699 588429881 /nfs/dbraw/zinc/42/98/81/588429881.db2.gz LDWVVNPSDVWCPI-LBPRGKRZSA-N 2 0 238.379 1.337 20 0 BDADRP C[C@H](CNC(=[NH2+])NC1CCC1)[N@H+](C)C1CC1 ZINC000849001580 588430728 /nfs/dbraw/zinc/43/07/28/588430728.db2.gz DUNZVSRZWPSQMP-SECBINFHSA-N 2 0 224.352 1.136 20 0 BDADRP C[C@@H](CNC(=[NH2+])NCC1CCC1)C[NH+](C)C ZINC000849030791 588442898 /nfs/dbraw/zinc/44/28/98/588442898.db2.gz XEUWANPAFJGDRG-JTQLQIEISA-N 2 0 226.368 1.098 20 0 BDADRP CCNC(=[NH2+])NCCC[N@H+](C)CC(C)C ZINC000849046384 588450133 /nfs/dbraw/zinc/45/01/33/588450133.db2.gz DMMDWNHJGKIWEY-UHFFFAOYSA-N 2 0 214.357 1.098 20 0 BDADRP CC1(C)CCC[N@@H+]1CCNC1=[NH+]CCCCN1 ZINC000849216632 588462745 /nfs/dbraw/zinc/46/27/45/588462745.db2.gz NWZPAJJOXMXXDJ-UHFFFAOYSA-N 2 0 238.379 1.190 20 0 BDADRP C[C@@H]1CCCN1CC[NH2+][C@H]1COC2(CCC2)C1 ZINC000850439272 588546535 /nfs/dbraw/zinc/54/65/35/588546535.db2.gz MNLJKPPSVPXTQQ-CHWSQXEVSA-N 2 0 238.375 1.772 20 0 BDADRP CO[C@@H]1CC[C@H]([N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000852078130 588660236 /nfs/dbraw/zinc/66/02/36/588660236.db2.gz LQKQNECAQWRPLV-BFHYXJOUSA-N 2 0 238.375 1.582 20 0 BDADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)C1CC1)C2 ZINC000852107451 588664131 /nfs/dbraw/zinc/66/41/31/588664131.db2.gz LLNVHQWJLKBRTB-UONOGXRCSA-N 2 0 238.375 1.175 20 0 BDADRP C[C@H]1CC[N@H+](CCOC(F)F)C[C@H]1C[NH3+] ZINC000852750914 588700271 /nfs/dbraw/zinc/70/02/71/588700271.db2.gz JAZPRVRTOJIODW-DTWKUNHWSA-N 2 0 222.279 1.142 20 0 BDADRP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)C[C@@H]1CC1(C)C ZINC000852774788 588701880 /nfs/dbraw/zinc/70/18/80/588701880.db2.gz ZFWFTWXKBNSFQE-QWHCGFSZSA-N 2 0 240.391 1.421 20 0 BDADRP C[C@@H](CC(C)(C)C)[NH2+]CC1([NH3+])CCOCC1 ZINC000863541496 589296919 /nfs/dbraw/zinc/29/69/19/589296919.db2.gz MJKPOSQJTSXJKZ-NSHDSACASA-N 2 0 228.380 1.909 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000863543855 589297216 /nfs/dbraw/zinc/29/72/16/589297216.db2.gz DSRRXIXMZWBSNO-NWDGAFQWSA-N 2 0 212.337 1.001 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC12CCOCC2 ZINC000863546110 589297885 /nfs/dbraw/zinc/29/78/85/589297885.db2.gz DLAWILLJFGPOQZ-QJPTWQEYSA-N 2 0 224.348 1.286 20 0 BDADRP CC[C@@H]1C[C@@H](C[N@H+](C)CCOCC[NH3+])CCO1 ZINC000863652175 589307646 /nfs/dbraw/zinc/30/76/46/589307646.db2.gz PGKHRXOXIOEBCX-QWHCGFSZSA-N 2 0 244.379 1.099 20 0 BDADRP C[C@@H]([NH3+])c1ccc(-c2cnn3c2C[NH2+]CC3)cc1 ZINC000863713620 589312590 /nfs/dbraw/zinc/31/25/90/589312590.db2.gz PDQUWKPDIOUTJN-SNVBAGLBSA-N 2 0 242.326 1.673 20 0 BDADRP C[NH+](C)CC(C)(C)CNC(=[NH2+])NCCC1CC1 ZINC000864451439 589364876 /nfs/dbraw/zinc/36/48/76/589364876.db2.gz GQCQIUXFCSNQSX-UHFFFAOYSA-N 2 0 240.395 1.488 20 0 BDADRP CCC(CC)NC(=[NH2+])NC[C@H]1CC[N@H+](C)C1 ZINC000864450986 589364885 /nfs/dbraw/zinc/36/48/85/589364885.db2.gz FPTJNNQKDFKXSB-SNVBAGLBSA-N 2 0 226.368 1.241 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](CNC(=[NH2+])N[C@@H]2C[C@H]2C)C1 ZINC000864455268 589366550 /nfs/dbraw/zinc/36/65/50/589366550.db2.gz LIXWZUDFJMJRGE-IJLUTSLNSA-N 2 0 238.379 1.239 20 0 BDADRP C[C@H](CNC(=[NH2+])NCCC1CC1)C[NH+](C)C ZINC000864465735 589370905 /nfs/dbraw/zinc/37/09/05/589370905.db2.gz BNKQHNWPEBPWND-SNVBAGLBSA-N 2 0 226.368 1.098 20 0 BDADRP FC(F)(F)c1c[nH+]ccc1NCC[NH+]1CCC1 ZINC000865635608 589453145 /nfs/dbraw/zinc/45/31/45/589453145.db2.gz NULFNTKMKWGVGM-UHFFFAOYSA-N 2 0 245.248 1.640 20 0 BDADRP C[N@@H+]1CC[C@H]2CN(c3cc[nH+]c(CO)c3)CC[C@H]21 ZINC000866208967 589480549 /nfs/dbraw/zinc/48/05/49/589480549.db2.gz MCFQAXQLYLPDSV-SMDDNHRTSA-N 2 0 247.342 1.104 20 0 BDADRP C[NH+](C)CCC[NH2+][C@@H](C1CCC1)[C@H]1CCCO1 ZINC000866214539 589480878 /nfs/dbraw/zinc/48/08/78/589480878.db2.gz PMZYARQPUHOXRT-KGLIPLIRSA-N 2 0 240.391 1.875 20 0 BDADRP [NH3+]CCC[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000866704198 589513858 /nfs/dbraw/zinc/51/38/58/589513858.db2.gz RJSDDRIZNCHHFZ-VHSXEESVSA-N 2 0 200.351 1.020 20 0 BDADRP COCC[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705029 589514196 /nfs/dbraw/zinc/51/41/96/589514196.db2.gz RWYLRAZPMIOOJU-GFCCVEGCSA-N 2 0 214.353 1.330 20 0 BDADRP Cc1cncc([C@H]2CCC[N@@H+]2CCC[NH3+])c1 ZINC000866721131 589515192 /nfs/dbraw/zinc/51/51/92/589515192.db2.gz RTOAUQQOZYDVGW-CYBMUJFWSA-N 2 0 219.332 1.876 20 0 BDADRP C(CN1CCC[C@@H]2[NH2+]CC[C@@H]21)C1CC[NH2+]CC1 ZINC000866724127 589515926 /nfs/dbraw/zinc/51/59/26/589515926.db2.gz INEYSXRDZHVCIA-KBPBESRZSA-N 2 0 237.391 1.202 20 0 BDADRP CC[NH+](CC)CCCN1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866725296 589516154 /nfs/dbraw/zinc/51/61/54/589516154.db2.gz RVNGSKXVIAKZMQ-KGLIPLIRSA-N 2 0 239.407 1.545 20 0 BDADRP CC1(C)[C@@H]([NH3+])c2ccccc2N1C(=O)CC[NH3+] ZINC000867988372 589542765 /nfs/dbraw/zinc/54/27/65/589542765.db2.gz KXLSMJFPWBNKMW-LBPRGKRZSA-N 2 0 233.315 1.160 20 0 BDADRP C[C@H]1C[C@@H](C[NH3+])CN1Cc1cccc(Cl)n1 ZINC000122309414 589577725 /nfs/dbraw/zinc/57/77/25/589577725.db2.gz KTCNVNOULDEYSV-UWVGGRQHSA-N 2 0 239.750 1.904 20 0 BDADRP C(=C\[C@@H]1CCC[NH2+]C1)\c1nc([C@H]2CCC[NH2+]2)no1 ZINC000871789474 589819458 /nfs/dbraw/zinc/81/94/58/589819458.db2.gz UWQWFQLBQWOKSP-TUISVCKWSA-N 2 0 248.330 1.507 20 0 BDADRP CC[C@H]([NH2+]C[C@H](C)C[NH+](C)C)[C@@H]1CCCOC1 ZINC000872073527 589864983 /nfs/dbraw/zinc/86/49/83/589864983.db2.gz QINMHNYYHZHVOY-MJBXVCDLSA-N 2 0 242.407 1.979 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H]2C[C@H](O)C2)[C@H](C)C1 ZINC000872125736 589875456 /nfs/dbraw/zinc/87/54/56/589875456.db2.gz CKMKAZWPJCMZFG-FDYHWXHSSA-N 2 0 226.364 1.077 20 0 BDADRP C[C@](C[NH3+])([NH2+]C[C@@H]1CC2(CCC2)CO1)C1CC1 ZINC000872141250 589881581 /nfs/dbraw/zinc/88/15/81/589881581.db2.gz AKPJMXDPQQHBHX-QWHCGFSZSA-N 2 0 238.375 1.663 20 0 BDADRP C[C@@](C[NH3+])([NH2+]C[C@H]1CC2(CCC2)CO1)C1CC1 ZINC000872141249 589881887 /nfs/dbraw/zinc/88/18/87/589881887.db2.gz AKPJMXDPQQHBHX-OLZOCXBDSA-N 2 0 238.375 1.663 20 0 BDADRP C[N@H+](C[C@H]1CC2(CCC2)CO1)C1CC([NH3+])C1 ZINC000872143379 589883214 /nfs/dbraw/zinc/88/32/14/589883214.db2.gz QKICDDNIKVOEAR-HTAVTVPLSA-N 2 0 224.348 1.367 20 0 BDADRP COCC1([N@H+](C)CCC2CC[NH2+]CC2)CCC1 ZINC000872157081 589884770 /nfs/dbraw/zinc/88/47/70/589884770.db2.gz IQIZVYMUJPYUQM-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2CC[NH2+]CC(C)(C)C2)CC[NH2+]1 ZINC000872253848 589901091 /nfs/dbraw/zinc/90/10/91/589901091.db2.gz KVJDYYAVXXMNLL-JHJVBQTASA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H](CC[NH+](C)C)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000872254229 589901171 /nfs/dbraw/zinc/90/11/71/589901171.db2.gz WXRYPDFWUCRLOA-STQMWFEESA-N 2 0 241.423 1.694 20 0 BDADRP C[C@H](CC[NH3+])[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000873210877 589995129 /nfs/dbraw/zinc/99/51/29/589995129.db2.gz RFQWWEKRQSIJSN-SECBINFHSA-N 3 0 239.388 1.221 20 0 BDADRP CC(C)([NH3+])CNCc1cc2c(s1)CC[NH2+]C2 ZINC000873210696 589995348 /nfs/dbraw/zinc/99/53/48/589995348.db2.gz ORPCLVYYEYQCOM-UHFFFAOYSA-N 2 0 239.388 1.221 20 0 BDADRP C1O[C@@H]2[C@H]([NH2+][C@@H]3CCC[NH2+]CC3)[C@H]3C[C@@H]1[C@@H]2C3 ZINC000873217714 589998195 /nfs/dbraw/zinc/99/81/95/589998195.db2.gz QDLZMMFYZYBTFZ-VPCRRHSYSA-N 2 0 236.359 1.142 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873220713 589998970 /nfs/dbraw/zinc/99/89/70/589998970.db2.gz SFUUPFBQBZVTCV-MBNYWOFBSA-N 3 0 239.407 1.495 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000873218048 589999025 /nfs/dbraw/zinc/99/90/25/589999025.db2.gz XVPFTYOBFVHPPM-SNIKSBKOSA-N 2 0 238.375 1.373 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCO[C@H]1C)C1CC[NH2+]CC1 ZINC000873221583 589999658 /nfs/dbraw/zinc/99/96/58/589999658.db2.gz XXWCFBGTLKHSPY-JFGNBEQYSA-N 2 0 212.337 1.142 20 0 BDADRP C[C@H]([NH2+]Cc1ccn(C)c1)C1CC[NH2+]CC1 ZINC000873220859 589999893 /nfs/dbraw/zinc/99/98/93/589999893.db2.gz VETUOECELVIGQW-NSHDSACASA-N 2 0 221.348 1.503 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCO[C@@H]1C)C1CC[NH2+]CC1 ZINC000873221580 590000028 /nfs/dbraw/zinc/00/00/28/590000028.db2.gz XXWCFBGTLKHSPY-FOGDFJRCSA-N 2 0 212.337 1.142 20 0 BDADRP COCCC1([NH2+]C[C@H](C)COC)CC[NH2+]CC1 ZINC000873225727 590001071 /nfs/dbraw/zinc/00/10/71/590001071.db2.gz YNJIDZMARWQSKE-LBPRGKRZSA-N 2 0 244.379 1.017 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccnn1C ZINC000873223833 590001130 /nfs/dbraw/zinc/00/11/30/590001130.db2.gz UAVXRYDTMMFNFD-WUHRBBMRSA-N 2 0 248.374 1.459 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000873232437 590003487 /nfs/dbraw/zinc/00/34/87/590003487.db2.gz ZZKQIFRUQRSFQO-YNEHKIRRSA-N 2 0 225.380 1.234 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CCSC1)[C@H]1CCC[NH2+]1 ZINC000873235541 590003981 /nfs/dbraw/zinc/00/39/81/590003981.db2.gz OEPWEZRZIDGXDS-IJLUTSLNSA-N 2 0 228.405 1.860 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000873236877 590004635 /nfs/dbraw/zinc/00/46/35/590004635.db2.gz JWZHAMUNRQWUFV-TUAOUCFPSA-N 2 0 227.396 1.480 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1F ZINC000873239602 590005887 /nfs/dbraw/zinc/00/58/87/590005887.db2.gz YWGYBIBCELVLTF-JZRPKSSGSA-N 2 0 244.354 1.609 20 0 BDADRP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873248703 590007248 /nfs/dbraw/zinc/00/72/48/590007248.db2.gz DYZUYSSKYFGIJY-JFGNBEQYSA-N 2 0 234.347 1.124 20 0 BDADRP C[NH+](C)C1(C)CCC([NH2+][C@H]2CCC[C@H]2[NH3+])CC1 ZINC000873250578 590008044 /nfs/dbraw/zinc/00/80/44/590008044.db2.gz RSKUJABWEGXMSN-DKNRTOFZSA-N 3 0 239.407 1.719 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CC[C@@H]2C2CCC2)C1 ZINC000873250595 590008504 /nfs/dbraw/zinc/00/85/04/590008504.db2.gz QBSDGRAPSUMKCZ-MGAJPHDKSA-N 2 0 208.349 1.892 20 0 BDADRP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000873250581 590008530 /nfs/dbraw/zinc/00/85/30/590008530.db2.gz RSKUJABWEGXMSN-YIFLHPOLSA-N 3 0 239.407 1.719 20 0 BDADRP Cc1cc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)n(C)n1 ZINC000873251893 590008980 /nfs/dbraw/zinc/00/89/80/590008980.db2.gz YAUMSEGTKXODIB-MXWKQRLJSA-N 2 0 222.336 1.116 20 0 BDADRP CCCC[C@H](COC)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873253768 590009425 /nfs/dbraw/zinc/00/94/25/590009425.db2.gz DTTBHMDDIVIUMR-GRYCIOLGSA-N 2 0 214.353 1.519 20 0 BDADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873255219 590010461 /nfs/dbraw/zinc/01/04/61/590010461.db2.gz DYZUYSSKYFGIJY-NHCYSSNCSA-N 2 0 234.347 1.124 20 0 BDADRP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)o1 ZINC000873254990 590010504 /nfs/dbraw/zinc/01/05/04/590010504.db2.gz CLCJCWJQWAMKMI-GARJFASQSA-N 2 0 208.305 1.976 20 0 BDADRP CCn1cc([C@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)cn1 ZINC000873256388 590011536 /nfs/dbraw/zinc/01/15/36/590011536.db2.gz OHPDARFZQFBDPD-NHCYSSNCSA-N 2 0 222.336 1.291 20 0 BDADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CCCSC2)C1 ZINC000873256756 590011662 /nfs/dbraw/zinc/01/16/62/590011662.db2.gz QDDRLFAIYAUWBN-OPRDCNLKSA-N 2 0 200.351 1.209 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1nccn1C ZINC000873263524 590014080 /nfs/dbraw/zinc/01/40/80/590014080.db2.gz IXUSEAPYCGNFNV-FVCCEPFGSA-N 2 0 248.374 1.601 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1c2ccccc2CN1C)C1C[NH2+]C1 ZINC000873265035 590014721 /nfs/dbraw/zinc/01/47/21/590014721.db2.gz GHLRKSKIAYPDIV-IAQYHMDHSA-N 2 0 245.370 1.371 20 0 BDADRP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)[C@H]1CCCO1 ZINC000873269100 590015331 /nfs/dbraw/zinc/01/53/31/590015331.db2.gz LWKMFYRSOSEMJU-NQBHXWOUSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000873268558 590015518 /nfs/dbraw/zinc/01/55/18/590015518.db2.gz XAIICRCUICEIGE-SCRDCRAPSA-N 2 0 239.407 1.447 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])C1CC[NH2+]CC1 ZINC000873269487 590015688 /nfs/dbraw/zinc/01/56/88/590015688.db2.gz IBKPKSOZOPUROZ-BNOWGMLFSA-N 3 0 239.407 1.482 20 0 BDADRP CO[C@H]1CCC[C@H]([NH2+][C@H](C)C2CC[NH2+]CC2)C1 ZINC000873269243 590015777 /nfs/dbraw/zinc/01/57/77/590015777.db2.gz OBJNQRZXTTYCFX-XBFCOCLRSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@H]1C)C1CC[NH2+]CC1 ZINC000873270728 590015925 /nfs/dbraw/zinc/01/59/25/590015925.db2.gz AZKOAMVTIMPBQM-MPPDQPJWSA-N 2 0 226.364 1.530 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC[NH2+]CC[C@@H]1C)C1CC[NH2+]CC1 ZINC000873270585 590016043 /nfs/dbraw/zinc/01/60/43/590016043.db2.gz XWPAWUDGTVLWQB-SCRDCRAPSA-N 3 0 239.407 1.352 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)C1CC[NH2+]CC1 ZINC000873270546 590016237 /nfs/dbraw/zinc/01/62/37/590016237.db2.gz WSBIRQRPRJLIOZ-DYEKYZERSA-N 3 0 239.407 1.495 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[NH2+]CC[C@H]1C)C1CC[NH2+]CC1 ZINC000873272981 590016917 /nfs/dbraw/zinc/01/69/17/590016917.db2.gz XWPAWUDGTVLWQB-DYEKYZERSA-N 3 0 239.407 1.352 20 0 BDADRP COCC(C)(C)CC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000873281285 590019040 /nfs/dbraw/zinc/01/90/40/590019040.db2.gz HLCHYKHPSGHEMJ-MNOVXSKESA-N 2 0 216.369 1.765 20 0 BDADRP CC[C@@H](C)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290819 590023120 /nfs/dbraw/zinc/02/31/20/590023120.db2.gz SMQPTSTZSYOSEF-NEPJUHHUSA-N 2 0 226.364 1.533 20 0 BDADRP CC[C@H](C)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290821 590023262 /nfs/dbraw/zinc/02/32/62/590023262.db2.gz SMQPTSTZSYOSEF-RYUDHWBXSA-N 2 0 226.364 1.533 20 0 BDADRP CC[C@@H](C)C[NH2+]CCCN1CC[NH+](C)CC1 ZINC000020128527 590077192 /nfs/dbraw/zinc/07/71/92/590077192.db2.gz UHGZAUHIUUSNFK-CYBMUJFWSA-N 2 0 227.396 1.260 20 0 BDADRP [NH3+][C@@H]1CC=C(C(=O)N2CCC[C@@H]2c2ncc[nH]2)C1 ZINC000876903125 590255551 /nfs/dbraw/zinc/25/55/51/590255551.db2.gz LDNKIRFABHKWIH-GHMZBOCLSA-N 2 0 246.314 1.121 20 0 BDADRP C[C@H]([NH3+])CN(C)C(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000877106906 590285184 /nfs/dbraw/zinc/28/51/84/590285184.db2.gz XVPCRJZSPYHYSE-GWCFXTLKSA-N 2 0 247.342 1.027 20 0 BDADRP CC[C@@H]([NH3+])C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877136496 590290854 /nfs/dbraw/zinc/29/08/54/590290854.db2.gz GZIBILVTVCKOOV-QJPTWQEYSA-N 2 0 233.315 1.177 20 0 BDADRP C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877136880 590290885 /nfs/dbraw/zinc/29/08/85/590290885.db2.gz MVVBJGLOKGTHQC-MNUQUWEESA-N 2 0 247.342 1.423 20 0 BDADRP CC(C)[C@H](O)CC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000878125201 590501623 /nfs/dbraw/zinc/50/16/23/590501623.db2.gz NVLUDHBEVPCPRL-UONOGXRCSA-N 2 0 242.407 1.667 20 0 BDADRP CC[N@@H+]1CC[C@H]1CNC(=O)Nc1ccnc(C)c1 ZINC000879071496 590692171 /nfs/dbraw/zinc/69/21/71/590692171.db2.gz UMHNMBMMZATTEP-LBPRGKRZSA-N 2 0 248.330 1.028 20 0 BDADRP CC[N@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000879125319 590699367 /nfs/dbraw/zinc/69/93/67/590699367.db2.gz YRFXLQKUPXLQAO-UHFFFAOYSA-N 2 0 214.353 1.297 20 0 BDADRP C[N@@H+]1CC[C@H]2C[NH+](CC3(C)COC3)CC[C@H]21 ZINC000879574272 590815088 /nfs/dbraw/zinc/81/50/88/590815088.db2.gz YWKIONMQJYZVGP-NWDGAFQWSA-N 2 0 224.348 1.049 20 0 BDADRP C[N@@H+]1CC[C@H]2C[NH+](CCCn3ccnc3)CC[C@H]21 ZINC000879577843 590815188 /nfs/dbraw/zinc/81/51/88/590815188.db2.gz MXWCKGPUVHOSOI-UONOGXRCSA-N 2 0 248.374 1.299 20 0 BDADRP CC[C@H](O)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880258565 590978860 /nfs/dbraw/zinc/97/88/60/590978860.db2.gz IPYXCKLOTCUJME-JSGCOSHPSA-N 2 0 249.358 1.363 20 0 BDADRP C[C@H]1C[N@H+](CCCF)CCN1c1cc[nH+]cc1 ZINC000880260910 590980371 /nfs/dbraw/zinc/98/03/71/590980371.db2.gz GPGHQLMJFVQXIZ-LBPRGKRZSA-N 2 0 237.322 1.952 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](CF)C1 ZINC000880297218 590990509 /nfs/dbraw/zinc/99/05/09/590990509.db2.gz KXMIQQDFWBVRRX-NWDGAFQWSA-N 2 0 214.328 1.762 20 0 BDADRP CC[C@@H](C)NC(=O)CC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000129159102 591260691 /nfs/dbraw/zinc/26/06/91/591260691.db2.gz FHPSHTVIXQJRPV-VXGBXAGGSA-N 2 0 241.379 1.023 20 0 BDADRP C[N@H+](CCN[C@@H]1CCC[NH2+]CC1)C1CCCC1 ZINC000129250811 591273147 /nfs/dbraw/zinc/27/31/47/591273147.db2.gz JYMUPEZZQLCDEA-CYBMUJFWSA-N 2 0 239.407 1.593 20 0 BDADRP CC[N@@H+]1CC[C@@H]1CNc1cc[nH+]c(CO)c1 ZINC000882959167 591486223 /nfs/dbraw/zinc/48/62/23/591486223.db2.gz XDVDRYQXYFGPJT-GFCCVEGCSA-N 2 0 221.304 1.080 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC1(O)CCC1 ZINC000131112172 591554222 /nfs/dbraw/zinc/55/42/22/591554222.db2.gz ROSPFJYZWWZHMW-QWRGUYRKSA-N 2 0 212.337 1.009 20 0 BDADRP C=C/C=C/CC[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000883436778 591665866 /nfs/dbraw/zinc/66/58/66/591665866.db2.gz AMXFECQMTDXBAL-GFSGRHGLSA-N 2 0 206.333 1.932 20 0 BDADRP CN(CCCCCC[NH3+])C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883441375 591668432 /nfs/dbraw/zinc/66/84/32/591668432.db2.gz MVEPIPLDZJWMAG-RYUDHWBXSA-N 2 0 231.359 1.137 20 0 BDADRP CCCCOC(=O)CC[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000883442855 591670050 /nfs/dbraw/zinc/67/00/50/591670050.db2.gz UOMCBEDNSDWBKQ-GHMZBOCLSA-N 2 0 242.363 1.435 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCCCCC[NH3+] ZINC000883442568 591670068 /nfs/dbraw/zinc/67/00/68/591670068.db2.gz OLBJMQSJUJFJEV-GHMZBOCLSA-N 3 0 213.369 1.221 20 0 BDADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)C1(CN)CCCCC1 ZINC000883454526 591673014 /nfs/dbraw/zinc/67/30/14/591673014.db2.gz DSKWMEACHYIXJO-ZDUSSCGKSA-N 2 0 239.407 1.579 20 0 BDADRP C[C@H]1OCC[C@H]1C[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000883459928 591674240 /nfs/dbraw/zinc/67/42/40/591674240.db2.gz KZOHZVDCTFJUKY-OLZOCXBDSA-N 2 0 238.375 1.629 20 0 BDADRP [NH3+][C@@H](CC1CC1)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000884298724 591898561 /nfs/dbraw/zinc/89/85/61/591898561.db2.gz BPFPMLOZRIIGGV-ZDUSSCGKSA-N 2 0 245.326 1.356 20 0 BDADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000884338357 591905620 /nfs/dbraw/zinc/90/56/20/591905620.db2.gz FXMDWJHBWOPJPN-QWRGUYRKSA-N 2 0 243.395 1.110 20 0 BDADRP C(C[NH+]1C[C@@H]2C[C@@H]2C1)C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886346975 592213477 /nfs/dbraw/zinc/21/34/77/592213477.db2.gz VSHAQELRUIYRQD-MPZDIEGVSA-N 2 0 206.333 1.280 20 0 BDADRP C[N@H+](C[C@@H]1C[C@]12CCOC2)C1CC[NH2+]CC1 ZINC000886827150 592350277 /nfs/dbraw/zinc/35/02/77/592350277.db2.gz FTWAHXRFYXPYRR-AAEUAGOBSA-N 2 0 224.348 1.097 20 0 BDADRP C[NH2+]CC1CC[NH+](C[C@@H]2C[C@]23CCOC3)CC1 ZINC000886828014 592350747 /nfs/dbraw/zinc/35/07/47/592350747.db2.gz VSLPOVGGUMXFTP-KBPBESRZSA-N 2 0 238.375 1.344 20 0 BDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@@H]1C[C@@]12CCOC2 ZINC000886829751 592351488 /nfs/dbraw/zinc/35/14/88/592351488.db2.gz GPDFOAYGMYOVIF-BFHYXJOUSA-N 2 0 240.391 1.718 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H]2C[C@]23CCOC3)C1 ZINC000886832390 592354243 /nfs/dbraw/zinc/35/42/43/592354243.db2.gz HRHFIUUQCLNBDP-RNJOBUHISA-N 2 0 224.348 1.082 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2C[C@]23CCOC3)C[C@@H]1C[NH3+] ZINC000886840344 592361728 /nfs/dbraw/zinc/36/17/28/592361728.db2.gz ZMGWDPQWFMAMKV-RFGFWPKPSA-N 2 0 238.375 1.330 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C[C@@H](O)c2ccccc2)CC[N@@H+]1C ZINC000221734968 592445302 /nfs/dbraw/zinc/44/53/02/592445302.db2.gz MMILFXRAWYPNRF-NWANDNLSSA-N 2 0 248.370 1.792 20 0 BDADRP CC[C@H](O)C[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887133075 592449067 /nfs/dbraw/zinc/44/90/67/592449067.db2.gz SSEAZDWVQVJRAU-JSGCOSHPSA-N 2 0 249.358 1.363 20 0 BDADRP C[N@@H+]1CCC[C@@H](CCNC(=[NH2+])NCC2CC2)C1 ZINC000887361602 592490521 /nfs/dbraw/zinc/49/05/21/592490521.db2.gz BVNCFKFAFFHBAE-LBPRGKRZSA-N 2 0 238.379 1.242 20 0 BDADRP CS[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000300386900 592509806 /nfs/dbraw/zinc/50/98/06/592509806.db2.gz MALQGEAISUPWEJ-KXNHARMFSA-N 2 0 228.405 1.988 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000925702349 634378148 /nfs/dbraw/zinc/37/81/48/634378148.db2.gz OBQGQEWHOYKDAX-GFCCVEGCSA-N 3 0 225.380 1.106 20 0 BDADRP CCC[C@H]([NH2+]C[C@@H](O)CC[NH3+])C1CCC1 ZINC001577365181 993613044 /nfs/dbraw/zinc/61/30/44/993613044.db2.gz AKCBVAABOMFWEH-RYUDHWBXSA-N 2 0 214.353 1.255 20 0 BDADRP C[C@H]([NH3+])[C@H](C)N[C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925705021 634386898 /nfs/dbraw/zinc/38/68/98/634386898.db2.gz HJKABALGKQZTGM-MRBYEJRBSA-N 2 0 221.348 1.400 20 0 BDADRP COC1CC(CC[NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000925714915 634435727 /nfs/dbraw/zinc/43/57/27/634435727.db2.gz ZBUBQEPCKYPPOM-BPCQOVAHSA-N 2 0 238.375 1.676 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@H](NCC23CC(C2)C[NH2+]3)C1 ZINC000925715582 634440854 /nfs/dbraw/zinc/44/08/54/634440854.db2.gz JZAVBNOSEDQTDD-ATJQQHLPSA-N 2 0 237.391 1.234 20 0 BDADRP C([C@@H]1CCCOC1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000257697475 634471123 /nfs/dbraw/zinc/47/11/23/634471123.db2.gz PDWQJIFTQFDFOB-KBPBESRZSA-N 2 0 238.375 1.631 20 0 BDADRP Cc1conc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257725639 634481349 /nfs/dbraw/zinc/48/13/49/634481349.db2.gz WHZLFPHICIVCOI-UHFFFAOYSA-N 2 0 235.331 1.559 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000104447326 634492301 /nfs/dbraw/zinc/49/23/01/634492301.db2.gz QEFNQFWCJOHIOA-SWLSCSKDSA-N 2 0 248.370 1.779 20 0 BDADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)C1 ZINC000925726761 634523401 /nfs/dbraw/zinc/52/34/01/634523401.db2.gz LNGATNBCLPEERS-PDWCTOEPSA-N 2 0 238.375 1.519 20 0 BDADRP COc1ccccc1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000125563210 634553720 /nfs/dbraw/zinc/55/37/20/634553720.db2.gz BEXZDLBHQFFXNM-LBPRGKRZSA-N 2 0 234.343 1.866 20 0 BDADRP COCC[C@H](C)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000336651781 635201279 /nfs/dbraw/zinc/20/12/79/635201279.db2.gz ICMUPJQBVRYTEJ-LBPRGKRZSA-N 2 0 226.364 1.487 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000925735649 634587252 /nfs/dbraw/zinc/58/72/52/634587252.db2.gz HVPVZQYEZCNOAX-LPWJVIDDSA-N 2 0 226.364 1.389 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)C12CCC2 ZINC000925736204 634588977 /nfs/dbraw/zinc/58/89/77/634588977.db2.gz ZUBUKTWLFCAING-BGZDPUMWSA-N 2 0 234.265 1.797 20 0 BDADRP CO[C@@H](C)[C@H](C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925799583 635341264 /nfs/dbraw/zinc/34/12/64/635341264.db2.gz VPWPABBXVRWIJN-NOOOWODRSA-N 2 0 214.353 1.245 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@H]1[C@@H]1C[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000925822177 635400363 /nfs/dbraw/zinc/40/03/63/635400363.db2.gz JGBWCKKAWRAAFJ-HDLKOFKZSA-N 2 0 208.349 1.761 20 0 BDADRP C[N@H+](CCOCC1CC1)CC[C@@H]1CCC[NH2+]C1 ZINC000094989549 635402811 /nfs/dbraw/zinc/40/28/11/635402811.db2.gz BEJCLCLRAVUKKT-ZDUSSCGKSA-N 2 0 240.391 1.735 20 0 BDADRP Cc1cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nc(N)[nH+]1 ZINC000107830171 635485173 /nfs/dbraw/zinc/48/51/73/635485173.db2.gz CZBHGXOQQSNSSI-GHMZBOCLSA-N 2 0 247.346 1.406 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](O)c1ccccc1 ZINC000310280926 635486497 /nfs/dbraw/zinc/48/64/97/635486497.db2.gz PMSBXGIPROLPKO-JSGCOSHPSA-N 2 0 236.359 1.827 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925840782 635504962 /nfs/dbraw/zinc/50/49/62/635504962.db2.gz XAJRUHVLZQCPRP-YRGRVCCFSA-N 2 0 237.391 1.249 20 0 BDADRP C[C@H](CN[C@@H]1CCCC[C@H]1C[NH3+])[NH+](C)C ZINC000251119219 635526591 /nfs/dbraw/zinc/52/65/91/635526591.db2.gz QOVAJCCYEFRQNU-GRYCIOLGSA-N 2 0 213.369 1.044 20 0 BDADRP C[C@@H]([NH2+]C1([C@H]2CCCCO2)CC1)C1C[NH2+]C1 ZINC000925894081 635618920 /nfs/dbraw/zinc/61/89/20/635618920.db2.gz UDDGXDMGIXCULP-ZYHUDNBSSA-N 2 0 224.348 1.286 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cnccc1N ZINC000925880381 635607470 /nfs/dbraw/zinc/60/74/70/635607470.db2.gz QMECPFJTIZDKEL-MXWKQRLJSA-N 2 0 234.347 1.272 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000925880361 635608252 /nfs/dbraw/zinc/60/82/52/635608252.db2.gz PZFREUDOWGUGJM-WKSBVSIWSA-N 2 0 208.349 1.892 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925880883 635611060 /nfs/dbraw/zinc/61/10/60/635611060.db2.gz WEZHTPVBRGNCBX-RNJOBUHISA-N 3 0 225.380 1.092 20 0 BDADRP Cc1cc(N)nc(NCC(C)(C)C[NH+](C)C)[nH+]1 ZINC000891440144 631285614 /nfs/dbraw/zinc/28/56/14/631285614.db2.gz IFYLJWBRAZTWST-UHFFFAOYSA-N 2 0 237.351 1.367 20 0 BDADRP CO[C@@H]1CCC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000891692611 631446154 /nfs/dbraw/zinc/44/61/54/631446154.db2.gz PPOHZEAKBWDCSD-CYBMUJFWSA-N 2 0 226.364 1.439 20 0 BDADRP CO[C@H]1CCC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000891692612 631446714 /nfs/dbraw/zinc/44/67/14/631446714.db2.gz PPOHZEAKBWDCSD-ZDUSSCGKSA-N 2 0 226.364 1.439 20 0 BDADRP CO[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)CC[C@H]1C ZINC000893899534 635635019 /nfs/dbraw/zinc/63/50/19/635635019.db2.gz CUMCUJJSPBGXBU-TZMCWYRMSA-N 2 0 240.391 1.685 20 0 BDADRP C[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CCC=CO2)C1 ZINC000248886215 635684551 /nfs/dbraw/zinc/68/45/51/635684551.db2.gz MEXJAPOOADEFHW-CHWSQXEVSA-N 2 0 224.348 1.563 20 0 BDADRP CC(C)CC[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000309056615 631833298 /nfs/dbraw/zinc/83/32/98/631833298.db2.gz QPWAYDLRONBAOO-ZDUSSCGKSA-N 2 0 228.380 1.421 20 0 BDADRP CCC[NH2+]CC[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000158652894 631922606 /nfs/dbraw/zinc/92/26/06/631922606.db2.gz XXYLDFXVIVXDLV-QWRGUYRKSA-N 2 0 200.326 1.001 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000091394772 631959495 /nfs/dbraw/zinc/95/94/95/631959495.db2.gz NQBFPSHBGYLLKE-YPMHNXCESA-N 2 0 241.379 1.057 20 0 BDADRP Cc1cc(NCC2([NH+](C)C)CCCC2)nc(N)[nH+]1 ZINC000051964673 632029279 /nfs/dbraw/zinc/02/92/79/632029279.db2.gz VEMJCVITYHJQDA-UHFFFAOYSA-N 2 0 249.362 1.654 20 0 BDADRP C[C@H](CNC(=[NH2+])NC1CC1)[NH+]1CCCCC1 ZINC000052042795 632054398 /nfs/dbraw/zinc/05/43/98/632054398.db2.gz FZYZUHYPLKJDRB-SNVBAGLBSA-N 2 0 224.352 1.137 20 0 BDADRP Cc1cc(NCC[N@H+]2CCC[C@H](C)C2)nc(N)[nH+]1 ZINC000052207221 632103196 /nfs/dbraw/zinc/10/31/96/632103196.db2.gz VHMRGZDFRFTKRX-JTQLQIEISA-N 2 0 249.362 1.511 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CC1(CCO)CC1 ZINC000156741808 632401063 /nfs/dbraw/zinc/40/10/63/632401063.db2.gz CVKCXMJDZZCYSN-VXGBXAGGSA-N 2 0 226.364 1.256 20 0 BDADRP CC[NH+]1CCN([C@H](C)C[NH2+]C(C)C)CC1 ZINC000052422212 632404842 /nfs/dbraw/zinc/40/48/42/632404842.db2.gz RRYQDDQBBNHUTK-GFCCVEGCSA-N 2 0 213.369 1.010 20 0 BDADRP C[C@H](CNC(=[NH2+])NC(C)(C)C)C[NH+](C)C ZINC000308930793 632490930 /nfs/dbraw/zinc/49/09/30/632490930.db2.gz RFNOVMSKUGUWFM-SECBINFHSA-N 2 0 214.357 1.097 20 0 BDADRP C[C@]1(C[NH2+][C@H]2CCC[C@H]2C[NH3+])CCCS1 ZINC000250791487 632543829 /nfs/dbraw/zinc/54/38/29/632543829.db2.gz JIXMTYUDMHKPPU-SDDRHHMPSA-N 2 0 228.405 1.989 20 0 BDADRP C1C[NH2+][C@@H]([C@H]2CCC[C@H]2[NH2+][C@@H]2CCCOC2)C1 ZINC000250672284 632545151 /nfs/dbraw/zinc/54/51/51/632545151.db2.gz VLLHPIXBQIXUPB-AAVRWANBSA-N 2 0 238.375 1.676 20 0 BDADRP C[C@]1(C[NH2+]C[C@@H]([NH3+])CC(F)F)CCCO1 ZINC000309044878 632624010 /nfs/dbraw/zinc/62/40/10/632624010.db2.gz MKLPPAHONNQFJN-WCBMZHEXSA-N 2 0 222.279 1.128 20 0 BDADRP CCCCCC[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000310253829 632711494 /nfs/dbraw/zinc/71/14/94/632711494.db2.gz OTFWIFNAVQSWGR-CQSZACIVSA-N 2 0 239.407 1.546 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@@H]1C[NH3+])C1CCOCC1 ZINC000235536594 632779178 /nfs/dbraw/zinc/77/91/78/632779178.db2.gz YVGZDIXEOAOPIS-UHTWSYAYSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@H]1CC[N@H+](CCCCCCO)C[C@@H]1C[NH3+] ZINC000235552479 632781783 /nfs/dbraw/zinc/78/17/83/632781783.db2.gz HZCTXNOLPAMVSO-STQMWFEESA-N 2 0 228.380 1.456 20 0 BDADRP CC(C)C[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000229621663 632982602 /nfs/dbraw/zinc/98/26/02/632982602.db2.gz RSUHEZZYLHZUQD-MCIONIFRSA-N 2 0 240.391 1.610 20 0 BDADRP CC(C)CC[NH+]1CCC([NH2+]CC[C@@H](C)O)CC1 ZINC000925069121 635889710 /nfs/dbraw/zinc/88/97/10/635889710.db2.gz FSYWUMXSSIRQRU-CYBMUJFWSA-N 2 0 242.407 1.857 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)CC1 ZINC000895101965 636057750 /nfs/dbraw/zinc/05/77/50/636057750.db2.gz QBYKQUQGJVEHNO-KGLIPLIRSA-N 2 0 238.375 1.439 20 0 BDADRP CCCC[C@](C)(CO)[NH2+]CC1CC[NH+](C)CC1 ZINC000895110101 636060819 /nfs/dbraw/zinc/06/08/19/636060819.db2.gz ZOTMTKREQQNARG-CQSZACIVSA-N 2 0 242.407 1.859 20 0 BDADRP COC[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C(C)C ZINC000328296991 633752771 /nfs/dbraw/zinc/75/27/71/633752771.db2.gz ANLRXIPHALKPPM-VZKILSJISA-N 2 0 238.375 1.243 20 0 BDADRP COC[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C(C)C ZINC000328296990 633753795 /nfs/dbraw/zinc/75/37/95/633753795.db2.gz ANLRXIPHALKPPM-SNIKSBKOSA-N 2 0 238.375 1.243 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328411289 633762220 /nfs/dbraw/zinc/76/22/20/633762220.db2.gz HEHJAURSEPYXBF-GAURVVSWSA-N 2 0 238.375 1.124 20 0 BDADRP c1ccc(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)cc1 ZINC000328491660 633773759 /nfs/dbraw/zinc/77/37/59/633773759.db2.gz OAVOQLGKAKWNMY-ZVDSWSACSA-N 2 0 242.366 1.815 20 0 BDADRP CC[C@H](CSC)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328565065 633775456 /nfs/dbraw/zinc/77/54/56/633775456.db2.gz LEAOYLYDZFSUEB-ASHHDVGLSA-N 2 0 240.416 1.714 20 0 BDADRP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328565775 633777240 /nfs/dbraw/zinc/77/72/40/633777240.db2.gz LYVWNHHRWBVENH-VTAXGKEESA-N 2 0 220.360 1.761 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000925506089 633838390 /nfs/dbraw/zinc/83/83/90/633838390.db2.gz VZHUEYUVBVVXGG-SIGQOLJVSA-N 2 0 238.375 1.395 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCN2CCCC2)C1 ZINC000925509287 633846923 /nfs/dbraw/zinc/84/69/23/633846923.db2.gz NCWUMTLUNYWNKR-CHWSQXEVSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)[C@H]1CCOC1 ZINC000925516321 633866833 /nfs/dbraw/zinc/86/68/33/633866833.db2.gz KRXFPFZYACZJJV-WUHRBBMRSA-N 2 0 240.391 1.907 20 0 BDADRP COC[C@H](C)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000053172611 633877516 /nfs/dbraw/zinc/87/75/16/633877516.db2.gz UMNFEARMHZPTFA-ZDUSSCGKSA-N 2 0 228.380 1.733 20 0 BDADRP C[NH+](C)CCC1CC[NH+](CC2OCCO2)CC1 ZINC000182073546 633933594 /nfs/dbraw/zinc/93/35/94/633933594.db2.gz FLDYQEUKEYKKGF-UHFFFAOYSA-N 2 0 242.363 1.023 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCc2ccnn2C)CC[N@@H+]1C ZINC000184017880 633995151 /nfs/dbraw/zinc/99/51/51/633995151.db2.gz OAVGJRYAHSQZOF-RYUDHWBXSA-N 2 0 236.363 1.035 20 0 BDADRP COC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000053195394 634033294 /nfs/dbraw/zinc/03/32/94/634033294.db2.gz KNYAGUOKWBGKBJ-WDEREUQCSA-N 2 0 212.337 1.095 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925565755 634060077 /nfs/dbraw/zinc/06/00/77/634060077.db2.gz XSXYQKCQQUIVHM-CHWSQXEVSA-N 2 0 237.391 1.345 20 0 BDADRP C[C@@H]1CC[C@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000310423507 634146377 /nfs/dbraw/zinc/14/63/77/634146377.db2.gz ZOAIAOIDMNZQOJ-CHWSQXEVSA-N 2 0 239.407 1.401 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2ccccc2O)C12CCC2 ZINC000925616230 634161531 /nfs/dbraw/zinc/16/15/31/634161531.db2.gz LLCUSLYVGIRMFA-KBPBESRZSA-N 2 0 246.354 1.794 20 0 BDADRP CC1(C)C[C@@H]([NH2+][C@@H](CCO)C2CC2)C[C@@H]([NH3+])C1 ZINC000925618007 634169544 /nfs/dbraw/zinc/16/95/44/634169544.db2.gz FFPDVYYPFHCWNC-AGIUHOORSA-N 2 0 240.391 1.643 20 0 BDADRP CC(C)(CO)C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925618643 634172990 /nfs/dbraw/zinc/17/29/90/634172990.db2.gz VXWLVKKOXIEOKL-WOPDTQHZSA-N 2 0 240.391 1.371 20 0 BDADRP Cc1cc(C[C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)[nH]n1 ZINC000925619546 634174713 /nfs/dbraw/zinc/17/47/13/634174713.db2.gz OVRDUQVKTNYJCG-BIMULSAOSA-N 2 0 248.374 1.509 20 0 BDADRP CCOC[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925645395 634198717 /nfs/dbraw/zinc/19/87/17/634198717.db2.gz PZBBYGOJUHWTRO-SRVKXCTJSA-N 2 0 228.380 1.907 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2O)C12CCC2 ZINC000925645018 634199037 /nfs/dbraw/zinc/19/90/37/634199037.db2.gz OYFNWXMBSCAGOF-BJDJZHNGSA-N 2 0 224.348 1.149 20 0 BDADRP CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925661953 634225557 /nfs/dbraw/zinc/22/55/57/634225557.db2.gz FTSVTDKEGDEKLF-ZDEQEGDKSA-N 2 0 238.375 1.804 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ncc[nH]1 ZINC000925689464 634308819 /nfs/dbraw/zinc/30/88/19/634308819.db2.gz AAIDLAQBPJFQGN-NXEZZACHSA-N 2 0 208.309 1.060 20 0 BDADRP [NH3+]CCC[C@@H]([NH2+][C@H]1C[C@@H](O)C1)c1ccccc1 ZINC000925690849 634314570 /nfs/dbraw/zinc/31/45/70/634314570.db2.gz JYOQJTYHECNWNF-HZSPNIEDSA-N 2 0 234.343 1.580 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](CO)C1 ZINC000925691146 634315829 /nfs/dbraw/zinc/31/58/29/634315829.db2.gz LWIRFUBRPBOIBO-UTUOFQBUSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@H]([NH3+])[C@@H](NC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000925691976 634322545 /nfs/dbraw/zinc/32/25/45/634322545.db2.gz LCRRBGOJGVWMDV-IACUBPJLSA-N 2 0 233.359 1.417 20 0 BDADRP C[C@H](N)[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccccc1 ZINC000925692615 634325379 /nfs/dbraw/zinc/32/53/79/634325379.db2.gz OJFQLMRZNRDAKI-WFASDCNBSA-N 2 0 247.386 1.664 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000925694174 634336242 /nfs/dbraw/zinc/33/62/42/634336242.db2.gz RANWZCZGEDXSRX-PYNQCMFNSA-N 3 0 239.407 1.752 20 0 BDADRP [NH3+]CCCN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925694368 634337752 /nfs/dbraw/zinc/33/77/52/634337752.db2.gz TXIGAAUBAKJCND-STQMWFEESA-N 2 0 225.380 1.093 20 0 BDADRP C1CCC2(C1)[NH2+]CC[C@@H]2NC1CC[NH2+]CC1 ZINC000925694371 634337958 /nfs/dbraw/zinc/33/79/58/634337958.db2.gz TXVVFESUAHXJIU-LBPRGKRZSA-N 2 0 223.364 1.003 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+][C@H]2C[C@@H](O)C2)C1 ZINC000925695459 634348397 /nfs/dbraw/zinc/34/83/97/634348397.db2.gz XASBXICYWZDQEM-XWLWVQCSSA-N 2 0 212.337 1.005 20 0 BDADRP CC[NH2+]CCN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925695812 634352476 /nfs/dbraw/zinc/35/24/76/634352476.db2.gz XYCZPHIUTLGSQN-MNOVXSKESA-N 2 0 213.369 1.092 20 0 BDADRP [NH3+][C@H](C[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)C1CC1 ZINC000925697556 634360208 /nfs/dbraw/zinc/36/02/08/634360208.db2.gz GHMOVKVXZMYRKC-IGQOVBAYSA-N 2 0 238.375 1.519 20 0 BDADRP C[C@H]([NH3+])c1ccc(CN[C@H]2CCC[NH2+][C@H]2C)cc1 ZINC000925699477 634366066 /nfs/dbraw/zinc/36/60/66/634366066.db2.gz PCHRRLTVCPBGKR-HUBLWGQQSA-N 2 0 247.386 1.936 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@H]1CCC[NH2+]CC1)[NH2+]2 ZINC000925699259 634366591 /nfs/dbraw/zinc/36/65/91/634366591.db2.gz JRICZIUBGQLBKF-MBJXGIAVSA-N 2 0 237.391 1.247 20 0 BDADRP CCC([NH3+])(CC)CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925699341 634367154 /nfs/dbraw/zinc/36/71/54/634367154.db2.gz OFQYXYFBLXZAKA-GFCCVEGCSA-N 2 0 239.407 1.768 20 0 BDADRP C[C@@H]([NH3+])[C@@H](NCC1=CC[NH2+]CC1)c1ccccc1 ZINC000925700102 634367817 /nfs/dbraw/zinc/36/78/17/634367817.db2.gz RKVDCXYMUSOXJW-IUODEOHRSA-N 2 0 245.370 1.584 20 0 BDADRP C[C@H]1[NH2+]CCC[C@H]1NCc1ccc2c(c1)C[NH2+]C2 ZINC000925700034 634368144 /nfs/dbraw/zinc/36/81/44/634368144.db2.gz MXHQXYSIPSWHGM-IAQYHMDHSA-N 2 0 245.370 1.520 20 0 BDADRP C[C@@H]([NH3+])[C@@H](N[C@H](C)C[NH3+])c1ccccc1 ZINC000925699731 634368990 /nfs/dbraw/zinc/36/89/90/634368990.db2.gz QFEDVKODMITMGH-CKYFFXLPSA-N 2 0 207.321 1.012 20 0 BDADRP [NH3+]CCC[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccccc1 ZINC000925700625 634370192 /nfs/dbraw/zinc/37/01/92/634370192.db2.gz WAGJXYOMLAVZEK-CQSZACIVSA-N 3 0 247.386 1.938 20 0 BDADRP CCCC[C@@H](C[NH3+])N[C@H]1CC[NH2+]C12CCCC2 ZINC000925700619 634370577 /nfs/dbraw/zinc/37/05/77/634370577.db2.gz VYHMLLFTOFHDBD-STQMWFEESA-N 2 0 239.407 1.768 20 0 BDADRP C[C@@H]([NH3+])[C@H](N[C@@H](C)C[NH3+])c1ccccc1 ZINC000925700474 634370676 /nfs/dbraw/zinc/37/06/76/634370676.db2.gz QFEDVKODMITMGH-UMNHJUIQSA-N 2 0 207.321 1.012 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H](N[C@@H](C[NH3+])C2CC2)C1 ZINC000925700543 634370758 /nfs/dbraw/zinc/37/07/58/634370758.db2.gz UEFHQAPFBRPSDL-UTUOFQBUSA-N 2 0 225.380 1.219 20 0 BDADRP CO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925701790 634376259 /nfs/dbraw/zinc/37/62/59/634376259.db2.gz FTSVTDKEGDEKLF-FVCCEPFGSA-N 2 0 238.375 1.804 20 0 BDADRP CO[C@H]1CCC[C@@H]1[NH2+]CCC[NH+](C)C ZINC000125734408 635150221 /nfs/dbraw/zinc/15/02/21/635150221.db2.gz MEBUYZDEDAOCKI-QWRGUYRKSA-N 2 0 200.326 1.095 20 0 BDADRP CC[C@H](C[NH2+]CC1CC[NH+](C)CC1)C(=O)OC ZINC000258886147 635217264 /nfs/dbraw/zinc/21/72/64/635217264.db2.gz CRHWBTBDORWOMC-GFCCVEGCSA-N 2 0 242.363 1.117 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC3(CCC3)CO2)C1 ZINC000925774378 635233455 /nfs/dbraw/zinc/23/34/55/635233455.db2.gz UVGZYHYYDLMQKP-UPJWGTAASA-N 2 0 238.375 1.805 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000094949047 635252149 /nfs/dbraw/zinc/25/21/49/635252149.db2.gz CTVIHBYXSPGVHO-QWHCGFSZSA-N 2 0 242.407 1.715 20 0 BDADRP CC[C@@H](CCO)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000094949048 635253710 /nfs/dbraw/zinc/25/37/10/635253710.db2.gz CTVIHBYXSPGVHO-OLZOCXBDSA-N 2 0 242.407 1.715 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccn(C)n1 ZINC000925791593 635319236 /nfs/dbraw/zinc/31/92/36/635319236.db2.gz BOIPLNIBTSAJBR-GRYCIOLGSA-N 2 0 236.363 1.316 20 0 BDADRP CC[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000925796601 635334343 /nfs/dbraw/zinc/33/43/43/635334343.db2.gz SEEUVXBMQUNGNV-MQYQWHSLSA-N 3 0 239.407 1.352 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(C)C2)[C@@H](C)C1 ZINC000223194625 635364256 /nfs/dbraw/zinc/36/42/56/635364256.db2.gz CTSPHQPWKALSII-XQQFMLRXSA-N 2 0 225.380 1.010 20 0 BDADRP [NH2+]=C(NCC[NH+]1CCCC1)NC1CCCCC1 ZINC000054134794 635623627 /nfs/dbraw/zinc/62/36/27/635623627.db2.gz PXZSOXIICCAUIF-UHFFFAOYSA-N 2 0 238.379 1.529 20 0 BDADRP C[C@@H](Cn1ccnc1)[NH2+]CC1CC[NH+](C)CC1 ZINC000054242695 636240604 /nfs/dbraw/zinc/24/06/04/636240604.db2.gz MIDWSGLXTDZMMV-LBPRGKRZSA-N 2 0 236.363 1.203 20 0 BDADRP CC(=O)N1CCC[N@H+](CCCCCC[NH3+])CC1 ZINC000310530359 636265907 /nfs/dbraw/zinc/26/59/07/636265907.db2.gz PUFWUHKTIDPTNU-UHFFFAOYSA-N 2 0 241.379 1.060 20 0 BDADRP COc1cccc(C[N@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000111273313 637097739 /nfs/dbraw/zinc/09/77/39/637097739.db2.gz NSASMVJOQLEBEO-OCCSQVGLSA-N 2 0 248.370 1.983 20 0 BDADRP C[NH2+]CCC[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000435884910 637273600 /nfs/dbraw/zinc/27/36/00/637273600.db2.gz YLJXLAINCKZLLT-UHFFFAOYSA-N 2 0 222.336 1.199 20 0 BDADRP C[C@@H](N[C@@H]1C[NH2+]CC1(C)C)[C@H]1CCCC[NH2+]1 ZINC000902446445 637305378 /nfs/dbraw/zinc/30/53/78/637305378.db2.gz SYZQCKSPSHCGOX-IJLUTSLNSA-N 2 0 225.380 1.105 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+]C2(CO)CCCC2)C1 ZINC000903461395 637362721 /nfs/dbraw/zinc/36/27/21/637362721.db2.gz SEDSLTGWIVAJEO-WDEREUQCSA-N 2 0 212.337 1.009 20 0 BDADRP C[C@@H]1CCCN(C[C@H]2CCC[NH2+]2)[C@@H]1CC[NH3+] ZINC000903461642 637363376 /nfs/dbraw/zinc/36/33/76/637363376.db2.gz XEADWHYYJCAKTM-JHJVBQTASA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903718507 637377400 /nfs/dbraw/zinc/37/74/00/637377400.db2.gz NZKKHWVNUBKFPV-MGPQQGTHSA-N 2 0 238.375 1.629 20 0 BDADRP CC[N@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903724849 637378471 /nfs/dbraw/zinc/37/84/71/637378471.db2.gz RDCWNYPZWBOXGB-STQMWFEESA-N 2 0 224.348 1.239 20 0 BDADRP OC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCCC[NH2+]C1 ZINC000903722475 637379815 /nfs/dbraw/zinc/37/98/15/637379815.db2.gz BFJJXKXKFUWALB-HABKJSAYSA-N 2 0 238.375 1.364 20 0 BDADRP C1=C(CN2CC[C@@]3(C2)CCCC[NH2+]3)COCC1 ZINC000904430965 637400061 /nfs/dbraw/zinc/40/00/61/637400061.db2.gz VCTCAYXNNJOQPE-CQSZACIVSA-N 2 0 236.359 1.551 20 0 BDADRP C[C@]12C[N@H+](C[C@H]3C[C@@H]([NH3+])C3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000904461768 637407068 /nfs/dbraw/zinc/40/70/68/637407068.db2.gz DJOFXXGLZOFLSD-JRULLXGZSA-N 2 0 232.371 1.868 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1C[NH2+]CC1(C)C ZINC000904462568 637407384 /nfs/dbraw/zinc/40/73/84/637407384.db2.gz WKZVKRDAQGOHCZ-GRYCIOLGSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@H]1C[C@@H](C[N@H+](C)Cc2cccc(=O)[nH]2)CC[NH2+]1 ZINC000904442735 637411766 /nfs/dbraw/zinc/41/17/66/637411766.db2.gz GFNVALRZLYSOLM-RYUDHWBXSA-N 2 0 249.358 1.607 20 0 BDADRP CC(C)(C[NH3+])C1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904446286 637413994 /nfs/dbraw/zinc/41/39/94/637413994.db2.gz XYMDZGBMUCGEEN-BJHJDKERSA-N 3 0 239.407 1.421 20 0 BDADRP C[C@@]1(CN[C@@H]2Cc3ccccc3[C@H]2[NH3+])CC[NH2+]C1 ZINC000904458054 637421438 /nfs/dbraw/zinc/42/14/38/637421438.db2.gz AKYOIWLEIBULDE-RBSFLKMASA-N 2 0 245.370 1.200 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000904925803 637529766 /nfs/dbraw/zinc/52/97/66/637529766.db2.gz MDBNHFUBUUAJSI-MDZLAQPJSA-N 2 0 241.379 1.232 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000904931611 637533517 /nfs/dbraw/zinc/53/35/17/637533517.db2.gz LSFLBVWDPPMBCY-ZWNOBZJWSA-N 2 0 241.379 1.008 20 0 BDADRP C[NH+](C)CCn1cc(C[N@H+](C)C(C)(C)C)nn1 ZINC000905056548 637587423 /nfs/dbraw/zinc/58/74/23/637587423.db2.gz CPBBVTJMUXRWJV-UHFFFAOYSA-N 2 0 239.367 1.070 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1CCC1 ZINC000924803229 637816485 /nfs/dbraw/zinc/81/64/85/637816485.db2.gz QJVXBWBECLBMCO-FUNVUKJBSA-N 2 0 208.349 1.716 20 0 BDADRP COc1ccccc1/C=C\C[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC000906508293 638178852 /nfs/dbraw/zinc/17/88/52/638178852.db2.gz LLCUVBBDPVOZPQ-INJBESJKSA-N 2 0 232.327 1.788 20 0 BDADRP CN(C)c1ccccc1C[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC000906507579 638178917 /nfs/dbraw/zinc/17/89/17/638178917.db2.gz AMENXDDXARDWDL-HAQNSBGRSA-N 2 0 219.332 1.332 20 0 BDADRP [NH3+]C1CC(NCc2cscc2Cl)C1 ZINC000906509523 638182267 /nfs/dbraw/zinc/18/22/67/638182267.db2.gz HQPIVAHMRXFIGG-UHFFFAOYSA-N 2 0 216.737 1.981 20 0 BDADRP [NH3+]C1CC([NH2+]Cc2cncc3ccccc32)C1 ZINC000906511214 638183815 /nfs/dbraw/zinc/18/38/15/638183815.db2.gz YXGGIEOXHPZUII-UHFFFAOYSA-N 2 0 227.311 1.814 20 0 BDADRP [NH3+]C1CC(N[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000906511458 638184246 /nfs/dbraw/zinc/18/42/46/638184246.db2.gz UODZOTLCPKVPKT-HXSCFSKGSA-N 2 0 245.370 1.559 20 0 BDADRP C[C@H](Cc1ccccc1F)[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC000906518862 638187748 /nfs/dbraw/zinc/18/77/48/638187748.db2.gz SLOWPCHLHJLUDH-YUSALJHKSA-N 2 0 222.307 1.836 20 0 BDADRP CCCC[NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000906529114 638194301 /nfs/dbraw/zinc/19/43/01/638194301.db2.gz FQWOMCILGBOGFK-CQSZACIVSA-N 2 0 241.423 1.650 20 0 BDADRP CC(C)C[N@H+](CCC[NH3+])Cc1ccccn1 ZINC000043417509 638309995 /nfs/dbraw/zinc/30/99/95/638309995.db2.gz RQFGPBKBSQTMGS-UHFFFAOYSA-N 2 0 221.348 1.888 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000043428075 638322746 /nfs/dbraw/zinc/32/27/46/638322746.db2.gz RXNPTMKGQXEAGH-KGLIPLIRSA-N 2 0 238.375 1.629 20 0 BDADRP CC[C@@H](CO)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000930575795 639813062 /nfs/dbraw/zinc/81/30/62/639813062.db2.gz FGSXGXHSHWPSAO-QWHCGFSZSA-N 2 0 226.364 1.175 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000911880560 639866918 /nfs/dbraw/zinc/86/69/18/639866918.db2.gz NHHWBZLKCONLEI-TUAOUCFPSA-N 2 0 241.379 1.138 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)C[C@H]([NH3+])C(C)(C)C ZINC000911880229 639867180 /nfs/dbraw/zinc/86/71/80/639867180.db2.gz KSCGLBBPECNUAR-QWRGUYRKSA-N 2 0 243.395 1.384 20 0 BDADRP CC[C@H](CO)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000930806706 639912610 /nfs/dbraw/zinc/91/26/10/639912610.db2.gz VMUCQXLYKZKJEW-CYBMUJFWSA-N 2 0 249.358 1.365 20 0 BDADRP CCOCCN1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931310286 640147390 /nfs/dbraw/zinc/14/73/90/640147390.db2.gz XVBZLAYXVRBZTJ-STQMWFEESA-N 2 0 226.364 1.297 20 0 BDADRP C[C@@H]1C[C@H]([NH+]2CCC(C)([NH+](C)C)CC2)CCO1 ZINC000931354986 640167681 /nfs/dbraw/zinc/16/76/81/640167681.db2.gz NEJBAIHDZZMLMN-CHWSQXEVSA-N 2 0 240.391 1.970 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](CC[C@H]3CCCO3)C[C@@H]2C1 ZINC000931437526 640203757 /nfs/dbraw/zinc/20/37/57/640203757.db2.gz RZAJPYUBJAUSSB-HZSPNIEDSA-N 2 0 238.375 1.439 20 0 BDADRP COC/C(C)=C\C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931443447 640208015 /nfs/dbraw/zinc/20/80/15/640208015.db2.gz YEDRCFBMRBPHKC-IZWIXQHKSA-N 2 0 238.375 1.463 20 0 BDADRP CCSCCN1CCc2[nH+]ccc(N)c2C1 ZINC000931512530 640242091 /nfs/dbraw/zinc/24/20/91/640242091.db2.gz IXIPGSRLXXVEKV-UHFFFAOYSA-N 2 0 237.372 1.775 20 0 BDADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C1CCCC1 ZINC000150981439 640245551 /nfs/dbraw/zinc/24/55/51/640245551.db2.gz OLLWPEIQELUACK-CYBMUJFWSA-N 2 0 228.380 1.875 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@@H]1CN2C[C@@H]1CCC2 ZINC000924852091 640252870 /nfs/dbraw/zinc/25/28/70/640252870.db2.gz DDVMEDVQNMOLLC-QWHCGFSZSA-N 2 0 225.380 1.012 20 0 BDADRP C[C@H]1CC2(CC([NH2+]CCCC[NH+](C)C)C2)CO1 ZINC000924855792 640347559 /nfs/dbraw/zinc/34/75/59/640347559.db2.gz SGYWZRHTXZQWKA-HSBZDZAISA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@H](CO)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000931763350 640356132 /nfs/dbraw/zinc/35/61/32/640356132.db2.gz GLSXFWDHJLNGMF-QWHCGFSZSA-N 2 0 249.358 1.363 20 0 BDADRP CCCCOCC[NH2+]CC1CC[NH+](C)CC1 ZINC000044517992 640398720 /nfs/dbraw/zinc/39/87/20/640398720.db2.gz CGZZCNQPWOPYGR-UHFFFAOYSA-N 2 0 228.380 1.735 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+]Cc2cnccn2)CC1 ZINC000226345664 640749787 /nfs/dbraw/zinc/74/97/87/640749787.db2.gz AHUBXZWJSJPARW-UHFFFAOYSA-N 2 0 234.347 1.298 20 0 BDADRP CC(C)=CC[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000933732986 640757744 /nfs/dbraw/zinc/75/77/44/640757744.db2.gz XOSWMQJLLRVLHN-OLZOCXBDSA-N 2 0 208.349 1.836 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](CCCCCCO)C1 ZINC000226420634 640762822 /nfs/dbraw/zinc/76/28/22/640762822.db2.gz OBRUIAHAAXPVET-GFCCVEGCSA-N 2 0 214.353 1.080 20 0 BDADRP C[N@@H+]1C[C@@H]2C[NH+](C[C@H]3CCCO3)C[C@]2(C)C1 ZINC000933746049 640763022 /nfs/dbraw/zinc/76/30/22/640763022.db2.gz SVZBELWDZYCJOB-UPJWGTAASA-N 2 0 224.348 1.049 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC000227131000 640816791 /nfs/dbraw/zinc/81/67/91/640816791.db2.gz UEURGYLKTMELGZ-MELADBBJSA-N 2 0 234.343 1.437 20 0 BDADRP C[NH+]1CCC(C[NH2+]Cc2cccc(CO)c2)CC1 ZINC000227457070 640834140 /nfs/dbraw/zinc/83/41/40/640834140.db2.gz HDEZYGJDWFLEKI-UHFFFAOYSA-N 2 0 248.370 1.610 20 0 BDADRP C[C@H](O)C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227536218 640838858 /nfs/dbraw/zinc/83/88/58/640838858.db2.gz USSFRRDPOWPLCP-AXTRIDKLSA-N 2 0 206.289 1.102 20 0 BDADRP CC[NH+](CC)[C@@H]1CCN(C[C@H]2CCC[NH2+]2)C1 ZINC000227649477 640844284 /nfs/dbraw/zinc/84/42/84/640844284.db2.gz NLWBTGLBVAVVPB-CHWSQXEVSA-N 2 0 225.380 1.155 20 0 BDADRP C[N@H+](CC1CC[NH+](C)CC1)CC1(O)CCCC1 ZINC000087463958 640896175 /nfs/dbraw/zinc/89/61/75/640896175.db2.gz AQTFISFFVFCRTG-UHFFFAOYSA-N 2 0 240.391 1.565 20 0 BDADRP C=CCNC(=[NH2+])NCCC[NH+](C(C)C)C(C)C ZINC000074797714 640970021 /nfs/dbraw/zinc/97/00/21/640970021.db2.gz MRAQYVLVNGRGLF-UHFFFAOYSA-N 2 0 240.395 1.586 20 0 BDADRP CCC[C@@](C)(O)C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000230680174 641083233 /nfs/dbraw/zinc/08/32/33/641083233.db2.gz UYNXALUOEXKCEN-NWDGAFQWSA-N 2 0 214.353 1.269 20 0 BDADRP CC(C)[NH+]1CCN(C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000062862096 641100418 /nfs/dbraw/zinc/10/04/18/641100418.db2.gz RFLISIZKYWPOKY-AWEZNQCLSA-N 2 0 239.407 1.402 20 0 BDADRP COCC[N@H+](CC(C)C)C[C@@]1(C)CCC[NH2+]C1 ZINC000062862696 641101651 /nfs/dbraw/zinc/10/16/51/641101651.db2.gz VYYCEMWLQXVGPX-AWEZNQCLSA-N 2 0 242.407 1.981 20 0 BDADRP Cc1noc(C)c1CN(C)[C@H]1CCC[NH2+]CC1 ZINC000231671009 641191444 /nfs/dbraw/zinc/19/14/44/641191444.db2.gz FCLPNGNOPQTBQA-LBPRGKRZSA-N 2 0 237.347 1.865 20 0 BDADRP C[N@@H+]1CC[C@@H](NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000061989274 641194285 /nfs/dbraw/zinc/19/42/85/641194285.db2.gz BPUDPUYDYGKENH-CYBMUJFWSA-N 2 0 239.407 1.543 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCSC(F)(F)F ZINC000231940092 641218281 /nfs/dbraw/zinc/21/82/81/641218281.db2.gz VUXLGQRQFKHDCF-HTQZYQBOSA-N 2 0 242.310 1.956 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@@H](CC[NH3+])C2)O1 ZINC000232047993 641232066 /nfs/dbraw/zinc/23/20/66/641232066.db2.gz DFADWCSFRGRWNB-IJLUTSLNSA-N 2 0 212.337 1.225 20 0 BDADRP CC(C)C[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000040775177 641537520 /nfs/dbraw/zinc/53/75/20/641537520.db2.gz KPPHOGSYMMAOMD-CPIKKWJDSA-N 2 0 240.391 1.608 20 0 BDADRP C[C@H]1CCCN(C(=O)CCCCC[NH3+])[C@H]1C[NH3+] ZINC000154150207 641970083 /nfs/dbraw/zinc/97/00/83/641970083.db2.gz OFTNENVZZJLAIM-RYUDHWBXSA-N 2 0 241.379 1.091 20 0 BDADRP C[C@@H](c1ccncc1)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000257695554 642508572 /nfs/dbraw/zinc/50/85/72/642508572.db2.gz KCQAURRHXLWITB-RYUDHWBXSA-N 2 0 219.332 1.813 20 0 BDADRP CCCCCN(CCO)C[C@H]1CCC[NH2+]1 ZINC000232979671 642643583 /nfs/dbraw/zinc/64/35/83/642643583.db2.gz ACNNJPFOWURAGB-GFCCVEGCSA-N 2 0 214.353 1.223 20 0 BDADRP CCCCCN(CCO)C[C@@H]1CCC[NH2+]1 ZINC000232979628 642641325 /nfs/dbraw/zinc/64/13/25/642641325.db2.gz ACNNJPFOWURAGB-LBPRGKRZSA-N 2 0 214.353 1.223 20 0 BDADRP CC[NH+]1CCC([NH2+]CCC(C)(C)OC)CC1 ZINC000233471626 642672207 /nfs/dbraw/zinc/67/22/07/642672207.db2.gz GGBWQURUXUGQEG-UHFFFAOYSA-N 2 0 228.380 1.875 20 0 BDADRP CCN1CC[NH+](C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000233483083 642676067 /nfs/dbraw/zinc/67/60/67/642676067.db2.gz GNJAIKJDWSQILP-OLZOCXBDSA-N 2 0 225.380 1.012 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCCCCCO)CC[N@@H+]1C ZINC000182147204 642959325 /nfs/dbraw/zinc/95/93/25/642959325.db2.gz IWRQNYMTHIZSSQ-QWHCGFSZSA-N 2 0 228.380 1.611 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH+](CC1CC1)CC1CC1 ZINC000070064396 642962023 /nfs/dbraw/zinc/96/20/23/642962023.db2.gz OYCUKJMCXDXOQB-RISCZKNCSA-N 2 0 222.376 1.964 20 0 BDADRP C[N@H+](CCNC(=[NH2+])NC1CC1)C1CCCC1 ZINC000070946494 643085479 /nfs/dbraw/zinc/08/54/79/643085479.db2.gz PXWLGEXRRAVTDP-UHFFFAOYSA-N 2 0 224.352 1.137 20 0 BDADRP CC(C)CNC(=[NH2+])NCC[N@H+](C)C1CCCC1 ZINC000071379493 643138544 /nfs/dbraw/zinc/13/85/44/643138544.db2.gz XZPPLXXVNCIFJQ-UHFFFAOYSA-N 2 0 240.395 1.631 20 0 BDADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H]1CCOC1 ZINC000253058118 643156376 /nfs/dbraw/zinc/15/63/76/643156376.db2.gz BMQZTPMXZXJSEN-WSOGJNRSSA-N 2 0 238.375 1.626 20 0 BDADRP CCC(CC)[C@@H](CNC(NC)=[NH+]C)[NH+](C)C ZINC000066245183 643165180 /nfs/dbraw/zinc/16/51/80/643165180.db2.gz RBNCQARZJULJQS-LLVKDONJSA-N 2 0 228.384 1.148 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCOC1 ZINC000070963767 643399525 /nfs/dbraw/zinc/39/95/25/643399525.db2.gz JFSYFSWPXJHLGK-QWHCGFSZSA-N 2 0 228.380 1.875 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)CC1CCCC1 ZINC000082560951 643512163 /nfs/dbraw/zinc/51/21/63/643512163.db2.gz CUUTUEXSRFELMB-YPMHNXCESA-N 2 0 210.365 1.964 20 0 BDADRP CC[C@@H]1COCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000085014739 643522695 /nfs/dbraw/zinc/52/26/95/643522695.db2.gz URHBYDTXHDXIHN-GRYCIOLGSA-N 2 0 212.337 1.225 20 0 BDADRP CN(C)[C@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000085016304 643522758 /nfs/dbraw/zinc/52/27/58/643522758.db2.gz UYSJEDZYCBRQAB-AGIUHOORSA-N 2 0 225.380 1.140 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC1(O)CCCCC1 ZINC000084222878 643651011 /nfs/dbraw/zinc/65/10/11/643651011.db2.gz ORGNWCNXYKRQEF-NWDGAFQWSA-N 2 0 226.364 1.399 20 0 BDADRP C[C@@H]1C[C@@H](C)[N@H+](CCCCCC[NH3+])C[C@H]1C[NH3+] ZINC000846222446 643651025 /nfs/dbraw/zinc/65/10/25/643651025.db2.gz CTTNEWAQPHSHPG-MGPQQGTHSA-N 3 0 241.423 1.811 20 0 BDADRP C[C@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CCCO1 ZINC000084385789 643659124 /nfs/dbraw/zinc/65/91/24/643659124.db2.gz ZSCGDHLMPDFEAZ-RYUDHWBXSA-N 2 0 212.337 1.097 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000050245461 643661925 /nfs/dbraw/zinc/66/19/25/643661925.db2.gz FTGAXWFITNHKGJ-LBPRGKRZSA-N 2 0 232.327 1.402 20 0 BDADRP C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C[C@@H]1CCCCO1 ZINC000085015117 643679130 /nfs/dbraw/zinc/67/91/30/643679130.db2.gz RTNQAFUVTPQUBR-AGIUHOORSA-N 2 0 226.364 1.615 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CC(C)(C)[NH3+])C1 ZINC000237182345 643697461 /nfs/dbraw/zinc/69/74/61/643697461.db2.gz PVEWVBZZJCSQSU-GHMZBOCLSA-N 2 0 241.379 1.103 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cc[nH]c(=O)c2)C1 ZINC000922180637 643895413 /nfs/dbraw/zinc/89/54/13/643895413.db2.gz DLTRTOIOTWDKPX-GFCCVEGCSA-N 2 0 249.358 1.609 20 0 BDADRP CN(CC[NH2+]C(C)(C)C)C[C@@H]1CCC[N@@H+]1C ZINC000086188256 643950118 /nfs/dbraw/zinc/95/01/18/643950118.db2.gz CSWBTWKQAQVVQK-LBPRGKRZSA-N 2 0 227.396 1.401 20 0 BDADRP C[C@@H](O)C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000086500939 644144231 /nfs/dbraw/zinc/14/42/31/644144231.db2.gz XOSLWBJEDOSSKX-TUAOUCFPSA-N 2 0 214.353 1.268 20 0 BDADRP CC(C)CC[C@@H](O)C[NH+]1CCC(C[NH3+])CC1 ZINC000923277755 644309655 /nfs/dbraw/zinc/30/96/55/644309655.db2.gz SGABQPVIQUVCKI-CYBMUJFWSA-N 2 0 228.380 1.454 20 0 BDADRP C[N@H+](CCC[NH3+])C[C@H](O)CCc1ccccc1 ZINC000923291526 644317863 /nfs/dbraw/zinc/31/78/63/644317863.db2.gz PHNDNMZWCQJIFL-CQSZACIVSA-N 2 0 236.359 1.261 20 0 BDADRP CC(C)OCC[C@@H](O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000923294521 644331699 /nfs/dbraw/zinc/33/16/99/644331699.db2.gz MWYYCRJPWFTPOW-GFCCVEGCSA-N 2 0 246.395 1.079 20 0 BDADRP CC[NH2+]CC1CC[NH+](C[C@@H](O)CSC)CC1 ZINC000923295067 644333184 /nfs/dbraw/zinc/33/31/84/644333184.db2.gz RLOJDMFACKJJDO-GFCCVEGCSA-N 2 0 246.420 1.032 20 0 BDADRP C[C@](C[NH3+])([NH2+]C[C@H](O)CC(F)(F)F)C1CC1 ZINC000923296410 644334334 /nfs/dbraw/zinc/33/43/34/644334334.db2.gz RKUQQEGQYDMICD-RKDXNWHRSA-N 2 0 240.269 1.017 20 0 BDADRP C[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CCCCC1 ZINC000923300608 644337231 /nfs/dbraw/zinc/33/72/31/644337231.db2.gz XPGMQCRRDFKTQO-ZDUSSCGKSA-N 2 0 238.375 1.629 20 0 BDADRP C[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CCCCC1 ZINC000923300607 644339027 /nfs/dbraw/zinc/33/90/27/644339027.db2.gz XPGMQCRRDFKTQO-CYBMUJFWSA-N 2 0 238.375 1.629 20 0 BDADRP CC(C)[C@H](C)[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923306124 644342212 /nfs/dbraw/zinc/34/22/12/644342212.db2.gz QOZOTKLCPXFPMJ-NWDGAFQWSA-N 2 0 226.364 1.341 20 0 BDADRP CC[C@H](C)C[N@H+](CC)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923315726 644342673 /nfs/dbraw/zinc/34/26/73/644342673.db2.gz YXTWXOYDBYFTNP-BJDJZHNGSA-N 2 0 214.353 1.205 20 0 BDADRP C[C@@H]1CC[C@@H](C)[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923316593 644343779 /nfs/dbraw/zinc/34/37/79/644343779.db2.gz PJCHNKKIEMQXAJ-JHJVBQTASA-N 2 0 238.375 1.485 20 0 BDADRP CC[N@H+](CC1CC1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923316070 644343919 /nfs/dbraw/zinc/34/39/19/644343919.db2.gz PVCKMSFNMRWJJV-LBPRGKRZSA-N 2 0 224.348 1.097 20 0 BDADRP C[C@@H]([N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1)C1(C)CC1 ZINC000923317213 644344617 /nfs/dbraw/zinc/34/46/17/644344617.db2.gz BZWXJHOWKANBPZ-NEPJUHHUSA-N 2 0 238.375 1.485 20 0 BDADRP CC[C@@H]1CCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923309061 644346227 /nfs/dbraw/zinc/34/62/27/644346227.db2.gz IXLYECFVRJYRIK-VXGBXAGGSA-N 2 0 224.348 1.239 20 0 BDADRP CC[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)[C@H](C)C(C)C ZINC000923308933 644346530 /nfs/dbraw/zinc/34/65/30/644346530.db2.gz KCRDINUAJKDRQY-CHWSQXEVSA-N 2 0 240.391 1.731 20 0 BDADRP CCc1ncc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)o1 ZINC000923333404 644354599 /nfs/dbraw/zinc/35/45/99/644354599.db2.gz QOVMZNYVLZJOMD-UHTWSYAYSA-N 2 0 249.358 1.796 20 0 BDADRP CC[C@@H]1CN(CCC[NH2+]C2CC2)CC[C@H]1[NH3+] ZINC000923343357 644362260 /nfs/dbraw/zinc/36/22/60/644362260.db2.gz AIFGAAPVCXVJTH-DGCLKSJQSA-N 2 0 225.380 1.188 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H](O)CCC(C)C)CC[C@H]1[NH3+] ZINC000923346012 644364525 /nfs/dbraw/zinc/36/45/25/644364525.db2.gz SWQQHKQQXKEVMD-HZSPNIEDSA-N 2 0 242.407 1.843 20 0 BDADRP CC(C)[C@H]1CN(CCC[NH2+]C2CC2)CC[NH2+]1 ZINC000923346403 644364552 /nfs/dbraw/zinc/36/45/52/644364552.db2.gz XKVUPQIUSGXJPY-CYBMUJFWSA-N 2 0 225.380 1.058 20 0 BDADRP [NH3+]CC[C@@H]1CCCCN1CCC[NH2+]C1CC1 ZINC000923354709 644371666 /nfs/dbraw/zinc/37/16/66/644371666.db2.gz UZRDZTNKKHZOBE-ZDUSSCGKSA-N 2 0 225.380 1.332 20 0 BDADRP Cc1ccc([C@H](O)CN2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000923367845 644379000 /nfs/dbraw/zinc/37/90/00/644379000.db2.gz JNIJJNNBFNWHLV-FPMFFAJLSA-N 2 0 234.343 1.450 20 0 BDADRP C[C@@H]1C[C@H](C)N(CCC[NH2+]C2CC2)C[C@H]1C[NH3+] ZINC000923382696 644394641 /nfs/dbraw/zinc/39/46/41/644394641.db2.gz MOTLHPZHHFPYSX-FRRDWIJNSA-N 2 0 239.407 1.434 20 0 BDADRP CC(C)OCC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000923381585 644394706 /nfs/dbraw/zinc/39/47/06/644394706.db2.gz JNWPBUHXGFSQMA-YNEHKIRRSA-N 2 0 244.379 1.022 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@@H](O)Cc1ccccc1 ZINC000923393292 644403245 /nfs/dbraw/zinc/40/32/45/644403245.db2.gz OBIGSSRMDYBPJQ-SNPRPXQTSA-N 2 0 248.370 1.402 20 0 BDADRP CCCCCC[C@H](O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923409632 644411150 /nfs/dbraw/zinc/41/11/50/644411150.db2.gz CMDRKZOVJRQHRE-MCIONIFRSA-N 2 0 242.407 1.844 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000923410563 644411933 /nfs/dbraw/zinc/41/19/33/644411933.db2.gz IIMHALVLXLUJNJ-SNPRPXQTSA-N 2 0 248.370 1.117 20 0 BDADRP CC(C)[C@H]1CN(CCC[NH2+]C2CC2)CC[N@@H+]1C ZINC000923412807 644413597 /nfs/dbraw/zinc/41/35/97/644413597.db2.gz BPUQVWDPUOOMBP-CQSZACIVSA-N 2 0 239.407 1.401 20 0 BDADRP C[N@@H+]1CC[C@@H]2CN(CCC[NH2+]C3CC3)CC[C@H]21 ZINC000923414089 644416160 /nfs/dbraw/zinc/41/61/60/644416160.db2.gz JNKRNKPIFSHILV-TZMCWYRMSA-N 2 0 237.391 1.155 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@H](O)CC1CCCC1 ZINC000923422883 644418646 /nfs/dbraw/zinc/41/86/46/644418646.db2.gz URXRBSIDSBZJCY-UPJWGTAASA-N 2 0 240.391 1.643 20 0 BDADRP C(C[NH2+]C1CC1)CN1CC[NH2+]CCC12CCC2 ZINC000923423964 644418817 /nfs/dbraw/zinc/41/88/17/644418817.db2.gz UBWGYRWOUYKFOX-UHFFFAOYSA-N 2 0 237.391 1.347 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccncc1 ZINC000084215721 644420687 /nfs/dbraw/zinc/42/06/87/644420687.db2.gz MYQOIQDYXODKDU-QWHCGFSZSA-N 2 0 219.332 1.689 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1ccco1 ZINC000084215983 644421331 /nfs/dbraw/zinc/42/13/31/644421331.db2.gz UDCAOJYQQWQFPN-YPMHNXCESA-N 2 0 222.332 1.929 20 0 BDADRP CCc1onc(C)c1CN1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000923428717 644421810 /nfs/dbraw/zinc/42/18/10/644421810.db2.gz YVUPAJPDEBSBDP-SMDDNHRTSA-N 2 0 249.358 1.587 20 0 BDADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([NH+]2CCC(F)(C3CC3)CC2)C1 ZINC000923442035 644433769 /nfs/dbraw/zinc/43/37/69/644433769.db2.gz QWAPJEUQZJVBLU-SRVKXCTJSA-N 2 0 242.338 1.051 20 0 BDADRP C[NH2+]C[C@](C)(O)C[NH+]1CCC(F)(C2CC2)CC1 ZINC000923443034 644434679 /nfs/dbraw/zinc/43/46/79/644434679.db2.gz RRVDLJUOHNYZJH-LBPRGKRZSA-N 2 0 244.354 1.171 20 0 BDADRP CCc1noc([C@H](C)[N@@H+]2CC[C@@H](CC[NH3+])C2)n1 ZINC000923486326 644455658 /nfs/dbraw/zinc/45/56/58/644455658.db2.gz PSHOLVJSAVYHAB-VHSXEESVSA-N 2 0 238.335 1.364 20 0 BDADRP CN1CCC[C@@H]1C[N@H+](C)CCCCCC[NH3+] ZINC000086189420 644458197 /nfs/dbraw/zinc/45/81/97/644458197.db2.gz AEJVRHKJTCPYMA-CYBMUJFWSA-N 2 0 227.396 1.532 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@@H](CC[NH3+])C1)C1CCCC1 ZINC000923481346 644458452 /nfs/dbraw/zinc/45/84/52/644458452.db2.gz QKJULEDYNNTYRY-TZMCWYRMSA-N 2 0 240.391 1.862 20 0 BDADRP CCCCCC[C@@H](O)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923480429 644458472 /nfs/dbraw/zinc/45/84/72/644458472.db2.gz YHJHPWFGYPHTIT-ZIAGYGMSSA-N 2 0 242.407 1.988 20 0 BDADRP Cc1ccc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)c(C)n1 ZINC000923480915 644460271 /nfs/dbraw/zinc/46/02/71/644460271.db2.gz MUOLZDOPGDFNOI-CYBMUJFWSA-N 2 0 233.359 1.869 20 0 BDADRP CCCCOC(=O)[C@H](C)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923484815 644461046 /nfs/dbraw/zinc/46/10/46/644461046.db2.gz NRASMPWUICGSJV-NWDGAFQWSA-N 2 0 242.363 1.389 20 0 BDADRP Cc1nnsc1C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923488384 644464794 /nfs/dbraw/zinc/46/47/94/644464794.db2.gz DYOABZJFPNGBPJ-SCZZXKLOSA-N 2 0 240.376 1.263 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cc(C3CC3)no2)CC[C@@H]1C[NH3+] ZINC000923489404 644465760 /nfs/dbraw/zinc/46/57/60/644465760.db2.gz JNROOINFZBCKNR-ZYHUDNBSSA-N 2 0 249.358 1.969 20 0 BDADRP C[C@@H]1C[N@H+](CCCc2ccncc2)CC[C@@H]1C[NH3+] ZINC000923492729 644467321 /nfs/dbraw/zinc/46/73/21/644467321.db2.gz CIMJNLROHRKUMR-UKRRQHHQSA-N 2 0 247.386 1.931 20 0 BDADRP Cc1cc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)nc(C)n1 ZINC000923492697 644468113 /nfs/dbraw/zinc/46/81/13/644468113.db2.gz CAHMSHVSMKXWBA-ZWNOBZJWSA-N 2 0 248.374 1.510 20 0 BDADRP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cn1 ZINC000923494121 644470128 /nfs/dbraw/zinc/47/01/28/644470128.db2.gz KNMUQTVMMRAPSV-RISCZKNCSA-N 2 0 233.359 1.807 20 0 BDADRP Cc1nnc([C@H](C)[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)[nH]1 ZINC000923493484 644470418 /nfs/dbraw/zinc/47/04/18/644470418.db2.gz HEXPXLGRNDXCPR-ATZCPNFKSA-N 2 0 237.351 1.091 20 0 BDADRP Cc1ncccc1C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923493930 644470579 /nfs/dbraw/zinc/47/05/79/644470579.db2.gz JKESLHVMBBOWDW-DGCLKSJQSA-N 2 0 233.359 1.807 20 0 BDADRP CCc1ncc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)o1 ZINC000923493773 644471117 /nfs/dbraw/zinc/47/11/17/644471117.db2.gz VEKRNWSREHVWKS-QWRGUYRKSA-N 2 0 237.347 1.654 20 0 BDADRP Cc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)ncn1 ZINC000923493493 644471158 /nfs/dbraw/zinc/47/11/58/644471158.db2.gz HFJMTEISVLECLT-JQWIXIFHSA-N 2 0 234.347 1.202 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccnc(N)c2)CC[C@@H]1C[NH3+] ZINC000923497537 644473200 /nfs/dbraw/zinc/47/32/00/644473200.db2.gz LZZKQOHSOLOXTD-CMPLNLGQSA-N 2 0 234.347 1.081 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccon2)CC[C@@H]1C[NH3+] ZINC000923500778 644473840 /nfs/dbraw/zinc/47/38/40/644473840.db2.gz PBPZDPRCDLLGEX-VHSXEESVSA-N 2 0 209.293 1.091 20 0 BDADRP c1cc(CCC[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)ccn1 ZINC000923521273 644484039 /nfs/dbraw/zinc/48/40/39/644484039.db2.gz LRNDPGOTEPMJFM-LSDHHAIUSA-N 2 0 245.370 1.556 20 0 BDADRP COc1cc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])ccn1 ZINC000089150631 644535710 /nfs/dbraw/zinc/53/57/10/644535710.db2.gz CGSZUPUBRVVRKX-VXGBXAGGSA-N 2 0 235.331 1.307 20 0 BDADRP Cn1ncc2c1CCC[C@@H]2[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000089149229 644536866 /nfs/dbraw/zinc/53/68/66/644536866.db2.gz NXNMEUCUOLVXPH-WXHSDQCUSA-N 2 0 248.374 1.515 20 0 BDADRP C[NH+](C)[C@H]1CCCN(C(=O)CCCCC[NH3+])C1 ZINC000091392344 644624051 /nfs/dbraw/zinc/62/40/51/644624051.db2.gz STWQESLLRLWECC-LBPRGKRZSA-N 2 0 241.379 1.058 20 0 BDADRP CCn1cc(C[N@H+](C)C2CCC([NH3+])CC2)cn1 ZINC000091847634 644641724 /nfs/dbraw/zinc/64/17/24/644641724.db2.gz RSJJKBXPTJCBKP-UHFFFAOYSA-N 2 0 236.363 1.605 20 0 BDADRP C[N@H+](C[C@@H](O)c1ccccc1)C1CCC([NH3+])CC1 ZINC000091846536 644642573 /nfs/dbraw/zinc/64/25/73/644642573.db2.gz RRWULWGSXFCMJG-YMAMQOFZSA-N 2 0 248.370 1.922 20 0 BDADRP CC(C)[C@@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000251377444 644803071 /nfs/dbraw/zinc/80/30/71/644803071.db2.gz GZYFNWQUVTYFCN-CHWSQXEVSA-N 2 0 210.365 1.964 20 0 BDADRP C[C@H](C[C@H](C)O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000252746065 644896725 /nfs/dbraw/zinc/89/67/25/644896725.db2.gz BDUTZANBONMRHU-KTCIRNNBSA-N 2 0 226.364 1.361 20 0 BDADRP CC[C@@H]1COC[C@H]1[NH2+][C@@H](C)CC[NH+](C)C ZINC000827320807 645078422 /nfs/dbraw/zinc/07/84/22/645078422.db2.gz LSVJHCNOCBABQX-QJPTWQEYSA-N 2 0 214.353 1.341 20 0 BDADRP CC[N@H+](CCc1ccccn1)C[C@]1(C)CC[NH2+]C1 ZINC000843060110 645256482 /nfs/dbraw/zinc/25/64/82/645256482.db2.gz DBTIJXGJIKBMCU-OAHLLOKOSA-N 2 0 247.386 1.946 20 0 BDADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)CC[NH2+]1 ZINC000843129432 645266856 /nfs/dbraw/zinc/26/68/56/645266856.db2.gz UADQNHGSKWTZIM-SMDDNHRTSA-N 3 0 233.359 1.375 20 0 BDADRP Cc1nn(C)c(C)c1C[NH2+]CCCCCC[NH3+] ZINC000843129360 645267162 /nfs/dbraw/zinc/26/71/62/645267162.db2.gz SPZSBFBCDBQCBQ-UHFFFAOYSA-N 2 0 238.379 1.646 20 0 BDADRP C([NH2+][C@H]1CC[NH2+]C12CCCC2)C1CCOCC1 ZINC000843129602 645267958 /nfs/dbraw/zinc/26/79/58/645267958.db2.gz XNZVZMOCBMHFFY-ZDUSSCGKSA-N 2 0 238.375 1.677 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000926548862 645271071 /nfs/dbraw/zinc/27/10/71/645271071.db2.gz CUQSLDPRLQPICK-UZSCSNNJSA-N 2 0 234.387 1.962 20 0 BDADRP [NH3+]CCCCCCC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000843367434 645284824 /nfs/dbraw/zinc/28/48/24/645284824.db2.gz HIKXYTXAJCOGPZ-AWEZNQCLSA-N 3 0 239.407 1.581 20 0 BDADRP C[C@@H]1COC[C@H]1[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000926572097 645289198 /nfs/dbraw/zinc/28/91/98/645289198.db2.gz FXQNMAJGHSUQNE-FRRDWIJNSA-N 2 0 226.364 1.343 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@H]2CCCOC2)C1 ZINC000925485427 645318627 /nfs/dbraw/zinc/31/86/27/645318627.db2.gz MXRZTCOJAXSDDS-JHJVBQTASA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)C(C)(C)CO ZINC000926751988 645403779 /nfs/dbraw/zinc/40/37/79/645403779.db2.gz BWDAUVRIPRBPCH-CHWSQXEVSA-N 2 0 242.407 1.715 20 0 BDADRP C[N@@H+]1CC[C@H](N[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925487228 645463794 /nfs/dbraw/zinc/46/37/94/645463794.db2.gz LYJLVFDMTFCKSB-RNJOBUHISA-N 2 0 237.391 1.057 20 0 BDADRP C[C@H](CNC(=[NH2+])NC(C)(C)C)[N@H+](C)C1CC1 ZINC000221887745 645894103 /nfs/dbraw/zinc/89/41/03/645894103.db2.gz WYWGMKXUDREOBH-SECBINFHSA-N 2 0 226.368 1.382 20 0 BDADRP COCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925500793 645943241 /nfs/dbraw/zinc/94/32/41/645943241.db2.gz FJBJJGWWXKGGRD-QWHCGFSZSA-N 2 0 226.364 1.391 20 0 BDADRP COC[C@@H](C[NH+]1CCC([NH+](C)C)CC1)C(C)C ZINC000929260009 646043985 /nfs/dbraw/zinc/04/39/85/646043985.db2.gz SWEHTRBJLBVQLT-CYBMUJFWSA-N 2 0 242.407 1.931 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@H]1[C@@H](C)COC[C@H]1C ZINC000924529605 646050574 /nfs/dbraw/zinc/05/05/74/646050574.db2.gz VYQUIHFZKGTUAR-WDNDVIMCSA-N 2 0 242.407 1.979 20 0 BDADRP C[NH+](C)CCC[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000924539959 646058812 /nfs/dbraw/zinc/05/88/12/646058812.db2.gz NUOUTMPGZAWVNW-AWEZNQCLSA-N 2 0 240.391 1.733 20 0 BDADRP COC/C(C)=C/C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000929281813 646059316 /nfs/dbraw/zinc/05/93/16/646059316.db2.gz DLRZCSPHKYAGDR-WLRTZDKTSA-N 2 0 240.391 1.853 20 0 BDADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccnnc1 ZINC000924855814 646119322 /nfs/dbraw/zinc/11/93/22/646119322.db2.gz SYKQGRHNQJDTSO-NSHDSACASA-N 2 0 222.336 1.469 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H](C)C(C)(C)CO)CC1 ZINC000924950909 646140144 /nfs/dbraw/zinc/14/01/44/646140144.db2.gz AHUUWERRHXHYGU-LBPRGKRZSA-N 2 0 242.407 1.715 20 0 BDADRP CC1CC(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000929637264 646209639 /nfs/dbraw/zinc/20/96/39/646209639.db2.gz GCGHKOUDIQTZSG-CPCZMJQVSA-N 2 0 210.365 1.916 20 0 BDADRP C[NH+](C)C[C@@H]1CC[N@H+](CCCc2cccnc2)C1 ZINC000929637479 646215095 /nfs/dbraw/zinc/21/50/95/646215095.db2.gz JFCFWPVKZNFQHS-HNNXBMFYSA-N 2 0 247.386 1.898 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@]1(C)CCCO1 ZINC000925247896 646221049 /nfs/dbraw/zinc/22/10/49/646221049.db2.gz CSIFGDIHWILSAO-PIGZVRMJSA-N 2 0 238.375 1.485 20 0 BDADRP CC[C@H](CO)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000929689127 646247089 /nfs/dbraw/zinc/24/70/89/646247089.db2.gz BWJPJHIFSDRIBD-ZIAGYGMSSA-N 2 0 240.391 1.708 20 0 BDADRP CCOCCCC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925479747 646291756 /nfs/dbraw/zinc/29/17/56/646291756.db2.gz JTMDXJPDFBDXJT-NSHDSACASA-N 2 0 214.353 1.533 20 0 BDADRP CC[NH+](CC)CCN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925501490 646304222 /nfs/dbraw/zinc/30/42/22/646304222.db2.gz ICBRBRMEQIWSNA-OLZOCXBDSA-N 2 0 241.423 1.824 20 0 BDADRP CSCCCC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925506338 646305402 /nfs/dbraw/zinc/30/54/02/646305402.db2.gz VZICYGHHSDQWPS-SNVBAGLBSA-N 2 0 216.394 1.860 20 0 BDADRP CC[N@@H+]1CCC[C@H]1CN[C@@H]1CC[NH2+]C12CCC2 ZINC000925510339 646309076 /nfs/dbraw/zinc/30/90/76/646309076.db2.gz UZNVRUWGBQKIGY-QWHCGFSZSA-N 2 0 237.391 1.345 20 0 BDADRP C[NH+]1CCC(N[C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925511154 646309293 /nfs/dbraw/zinc/30/92/93/646309293.db2.gz HLHMJHIVEVZCRG-ZDUSSCGKSA-N 2 0 237.391 1.345 20 0 BDADRP CC[NH+]1CCC(N[C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925512214 646310509 /nfs/dbraw/zinc/31/05/09/646310509.db2.gz AYIIBQZJSSTRIN-GFCCVEGCSA-N 2 0 225.380 1.201 20 0 BDADRP CCNC(=O)[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925512861 646310935 /nfs/dbraw/zinc/31/09/35/646310935.db2.gz GIFPVEOHYSQPJJ-GARJFASQSA-N 2 0 241.379 1.007 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925538398 646322865 /nfs/dbraw/zinc/32/28/65/646322865.db2.gz AUWHOCLKENWTLY-AGIUHOORSA-N 2 0 242.407 1.891 20 0 BDADRP COC1CCC(C[NH2+][C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925543477 646325304 /nfs/dbraw/zinc/32/53/04/646325304.db2.gz UEAPYUIYHSMCOM-WXRRBKDZSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1CC[NH2+]C1(C)C ZINC000925553421 646329099 /nfs/dbraw/zinc/32/90/99/646329099.db2.gz RHYXSSPCLPPLBQ-KGYLQXTDSA-N 2 0 237.391 1.199 20 0 BDADRP C1CC2(C1)[NH2+]CC[C@H]2N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000925554101 646331161 /nfs/dbraw/zinc/33/11/61/646331161.db2.gz WBFOTDZDUHUNQJ-BFHYXJOUSA-N 2 0 249.402 1.487 20 0 BDADRP CC(C)[N@H+](C)CCN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925557289 646333060 /nfs/dbraw/zinc/33/30/60/646333060.db2.gz NNRGJZMCIRLZDF-CHWSQXEVSA-N 2 0 241.423 1.822 20 0 BDADRP CC(C)(CO)C[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000925570402 646339751 /nfs/dbraw/zinc/33/97/51/646339751.db2.gz DZXGKUJIEVAVRV-CHWSQXEVSA-N 2 0 240.391 1.611 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CN[C@@H]1CCC[NH2+][C@@H]1C ZINC000925573490 646342457 /nfs/dbraw/zinc/34/24/57/646342457.db2.gz OAQOMDMSKPFQCX-MGPQQGTHSA-N 2 0 239.407 1.591 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CC1(C2CC2)CC1 ZINC000925589109 646349070 /nfs/dbraw/zinc/34/90/70/646349070.db2.gz DRUKKLBGSCMUOV-NSHDSACASA-N 2 0 208.349 1.907 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@H]1CC[NH2+]C1(C)C ZINC000925605118 646354633 /nfs/dbraw/zinc/35/46/33/646354633.db2.gz BXBHCDXITDJKMZ-LBPRGKRZSA-N 2 0 227.396 1.447 20 0 BDADRP C[C@](O)(C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)C1CC1 ZINC000925608689 646357212 /nfs/dbraw/zinc/35/72/12/646357212.db2.gz HPIFGUVZUMINFY-BZPMIXESSA-N 2 0 240.391 1.643 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccoc1 ZINC000925611203 646359307 /nfs/dbraw/zinc/35/93/07/646359307.db2.gz BSQSUGKMWJATAJ-MPEURRAXSA-N 2 0 220.316 1.885 20 0 BDADRP C[C@H](CCO)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925611397 646359320 /nfs/dbraw/zinc/35/93/20/646359320.db2.gz MJOAWWOOTRNXER-VWYCJHECSA-N 2 0 214.353 1.253 20 0 BDADRP CCC[C@](C)(O)CN[C@H]1CC[NH2+]C1(C)C ZINC000925610071 646360559 /nfs/dbraw/zinc/36/05/59/646360559.db2.gz CJBLATVGLUUURI-JQWIXIFHSA-N 2 0 214.353 1.268 20 0 BDADRP CC(C)C[C@H](CO)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925612982 646362348 /nfs/dbraw/zinc/36/23/48/646362348.db2.gz PEVJJLJKSHKVHN-FRRDWIJNSA-N 2 0 242.407 1.889 20 0 BDADRP COCCC1(C[NH2+][C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925614123 646362578 /nfs/dbraw/zinc/36/25/78/646362578.db2.gz AOKUGBIAOHSGQA-NSHDSACASA-N 2 0 226.364 1.533 20 0 BDADRP CC(C)(CCCO)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925614454 646362984 /nfs/dbraw/zinc/36/29/84/646362984.db2.gz IWDTXZHWKSNXSF-LBPRGKRZSA-N 2 0 240.391 1.659 20 0 BDADRP Cc1cnccc1CC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925627460 646373443 /nfs/dbraw/zinc/37/34/43/646373443.db2.gz YZKIMQLKIMCTPV-KGLIPLIRSA-N 2 0 245.370 1.792 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000925637871 646383375 /nfs/dbraw/zinc/38/33/75/646383375.db2.gz UHVYBIJJKRVPGU-JHJVBQTASA-N 2 0 240.391 1.909 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(CCO)CC1 ZINC000925642881 646385344 /nfs/dbraw/zinc/38/53/44/646385344.db2.gz HPPGSYGQLMTODT-MPEURRAXSA-N 2 0 238.375 1.255 20 0 BDADRP CO[C@@H](C)C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925645339 646387005 /nfs/dbraw/zinc/38/70/05/646387005.db2.gz PLJSLOUCZBIQGI-WHOHXGKFSA-N 2 0 226.364 1.388 20 0 BDADRP CCC(O)(CC)CC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925650195 646389631 /nfs/dbraw/zinc/38/96/31/646389631.db2.gz RXNTVFVFORAOCM-VXGBXAGGSA-N 2 0 240.391 1.787 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925651345 646391909 /nfs/dbraw/zinc/39/19/09/646391909.db2.gz AZSVGCDHDSUAMX-NDBYEHHHSA-N 2 0 240.391 1.907 20 0 BDADRP CC[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)C(C)(C)O ZINC000925673255 646402158 /nfs/dbraw/zinc/40/21/58/646402158.db2.gz BZVNEPQDVIDTGC-QWRGUYRKSA-N 2 0 226.364 1.410 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+][C@H]2CCCOC2)C1 ZINC000925674147 646403067 /nfs/dbraw/zinc/40/30/67/646403067.db2.gz RARCWEWMCZTOLB-SRVKXCTJSA-N 2 0 226.364 1.661 20 0 BDADRP CC(C)[C@@H](CO)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925674604 646403092 /nfs/dbraw/zinc/40/30/92/646403092.db2.gz SJOZFVHCSMPANR-CHWSQXEVSA-N 2 0 240.391 1.515 20 0 BDADRP COCC(C)(C)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925671959 646403174 /nfs/dbraw/zinc/40/31/74/646403174.db2.gz GKGQAJVDELEKDX-SNVBAGLBSA-N 2 0 214.353 1.389 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H](CO)CC2CCC2)C12CCC2 ZINC000925675307 646404499 /nfs/dbraw/zinc/40/44/99/646404499.db2.gz VJXAOQVEBQFMRK-JHJVBQTASA-N 2 0 238.375 1.397 20 0 BDADRP C[NH2+]CCCN[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925690364 646410976 /nfs/dbraw/zinc/41/09/76/646410976.db2.gz JEOVMVQTQLFPCR-QWRGUYRKSA-N 2 0 213.369 1.092 20 0 BDADRP CC1(C)C[C@@H](NCC[NH2+]C2CC2)C[C@@H]([NH3+])C1 ZINC000925690746 646411938 /nfs/dbraw/zinc/41/19/38/646411938.db2.gz GYMQSGYUNRGNEB-PWSUYJOCSA-N 2 0 225.380 1.234 20 0 BDADRP [NH3+]CCC[C@H](NCC[NH2+]C1CC1)c1ccccc1 ZINC000925691810 646418092 /nfs/dbraw/zinc/41/80/92/646418092.db2.gz KAFOGFHCFXHXBV-HNNXBMFYSA-N 2 0 247.386 1.808 20 0 BDADRP CO[C@@H]([C@@H](C)N[C@@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000925692043 646418372 /nfs/dbraw/zinc/41/83/72/646418372.db2.gz YRSUAYZKIGGSLK-RTXFEEFZSA-N 2 0 238.375 1.674 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@H]2CC[NH2+]C2(C)C)[C@H](C)O1 ZINC000925694844 646419606 /nfs/dbraw/zinc/41/96/06/646419606.db2.gz GFHYQVKRPYLURQ-KXNHARMFSA-N 2 0 226.364 1.530 20 0 BDADRP COC1CCC([NH2+][C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925696848 646422023 /nfs/dbraw/zinc/42/20/23/646422023.db2.gz UUIWHRUTQUVSHQ-MCIGGMRASA-N 2 0 226.364 1.674 20 0 BDADRP CC1(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CC[NH2+]CC1 ZINC000925697402 646422253 /nfs/dbraw/zinc/42/22/53/646422253.db2.gz FTJCDVVXMSZQKB-NWDGAFQWSA-N 3 0 237.391 1.236 20 0 BDADRP C[NH2+][C@H](C)CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925697830 646423059 /nfs/dbraw/zinc/42/30/59/646423059.db2.gz AWLQNVJRLMNGOL-MRVWCRGKSA-N 2 0 239.407 1.352 20 0 BDADRP C[C@H]1[NH2+]CCC[C@@H]1NCc1ccc2c(c1)C[NH2+]C2 ZINC000925700032 646423419 /nfs/dbraw/zinc/42/34/19/646423419.db2.gz MXHQXYSIPSWHGM-ABAIWWIYSA-N 2 0 245.370 1.520 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925699223 646423429 /nfs/dbraw/zinc/42/34/29/646423429.db2.gz JEFKOGNQIYWSGD-RVMXOQNASA-N 2 0 239.407 1.623 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCCCCO ZINC000925701416 646425134 /nfs/dbraw/zinc/42/51/34/646425134.db2.gz ZFAMCMGRBQYTPB-PBWFPOADSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@H]1NCCC[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000925701758 646425387 /nfs/dbraw/zinc/42/53/87/646425387.db2.gz DXPXAYJBEKVMKQ-YPMHNXCESA-N 2 0 225.380 1.106 20 0 BDADRP C[C@@H]1NCCC[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000925701755 646425419 /nfs/dbraw/zinc/42/54/19/646425419.db2.gz DXPXAYJBEKVMKQ-AAEUAGOBSA-N 2 0 225.380 1.106 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]CCC2CC[NH2+]CC2)C12CCC2 ZINC000925702049 646427580 /nfs/dbraw/zinc/42/75/80/646427580.db2.gz JWBJHEUTRFIGHD-QWHCGFSZSA-N 3 0 237.391 1.236 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@H](N[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000925704112 646428778 /nfs/dbraw/zinc/42/87/78/646428778.db2.gz HWZQGBKKRQSHCG-WUHRBBMRSA-N 2 0 239.407 1.752 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925708244 646432791 /nfs/dbraw/zinc/43/27/91/646432791.db2.gz REBWWOABXNGTOX-NWDGAFQWSA-N 2 0 225.380 1.201 20 0 BDADRP CCC[N@@H+]1CC[C@@H](N[C@H]2CC[NH2+]C2(C)C)C1 ZINC000925708243 646432810 /nfs/dbraw/zinc/43/28/10/646432810.db2.gz REBWWOABXNGTOX-NEPJUHHUSA-N 2 0 225.380 1.201 20 0 BDADRP CC[C@@H](O)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925709841 646434710 /nfs/dbraw/zinc/43/47/10/646434710.db2.gz OSVKUIGAZXRPPU-MGPQQGTHSA-N 2 0 240.391 1.515 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925712920 646439493 /nfs/dbraw/zinc/43/94/93/646439493.db2.gz VZZNEVGAUXXHEK-NEPJUHHUSA-N 3 0 225.380 1.378 20 0 BDADRP C[NH2+]C[C@H](C)N[C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925715210 646440556 /nfs/dbraw/zinc/44/05/56/646440556.db2.gz ASLIRJVIUFCAIH-LOWVWBTDSA-N 2 0 221.348 1.272 20 0 BDADRP C[NH2+]C[C@H](C)N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925717390 646440662 /nfs/dbraw/zinc/44/06/62/646440662.db2.gz TYQVZHKQMOULDM-HBNTYKKESA-N 2 0 213.369 1.090 20 0 BDADRP C[NH2+]C[C@H](C)N[C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925715207 646440734 /nfs/dbraw/zinc/44/07/34/646440734.db2.gz ASLIRJVIUFCAIH-DMDPSCGWSA-N 2 0 221.348 1.272 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925720224 646443831 /nfs/dbraw/zinc/44/38/31/646443831.db2.gz WVESZDSLOLZRCD-WUHRBBMRSA-N 2 0 240.391 1.907 20 0 BDADRP FC1(F)C[C@H]1CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925720065 646443894 /nfs/dbraw/zinc/44/38/94/646443894.db2.gz FDOLMKSWGRXABI-NXEZZACHSA-N 2 0 230.302 1.906 20 0 BDADRP C[C@H]([NH3+])[C@H](N[C@@H]1CC[NH2+][C@H]1C)c1ccccc1 ZINC000925719836 646444488 /nfs/dbraw/zinc/44/44/88/646444488.db2.gz UWWAEULSSNSIEX-VTPLQMEGSA-N 2 0 233.359 1.415 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C12CCC2 ZINC000925726182 646451130 /nfs/dbraw/zinc/45/11/30/646451130.db2.gz FVCHYRRDXDVTNL-XVIXHAIJSA-N 3 0 249.402 1.377 20 0 BDADRP CC(C)(F)C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925726059 646451252 /nfs/dbraw/zinc/45/12/52/646451252.db2.gz XWOABRNDBGVJIN-IUCAKERBSA-N 2 0 200.301 1.594 20 0 BDADRP COCC1CC([NH2+][C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925727041 646452256 /nfs/dbraw/zinc/45/22/56/646452256.db2.gz BUWUHPIAULCWGO-WXRRBKDZSA-N 2 0 238.375 1.676 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C12CCC2 ZINC000925726180 646452640 /nfs/dbraw/zinc/45/26/40/646452640.db2.gz FVCHYRRDXDVTNL-ITGHMWBKSA-N 3 0 249.402 1.377 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CCC[C@@H]1CCOC1=O ZINC000925728684 646454359 /nfs/dbraw/zinc/45/43/59/646454359.db2.gz GMHXZKJQCLMDOI-GHMZBOCLSA-N 2 0 240.347 1.060 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCc1ccns1 ZINC000925733459 646455889 /nfs/dbraw/zinc/45/58/89/646455889.db2.gz VCKYXDDLFDMLQX-NWDGAFQWSA-N 2 0 239.388 1.935 20 0 BDADRP C[C@H](NCCC(C)(C)[NH3+])c1c[nH+]ccc1N ZINC000925737369 646459942 /nfs/dbraw/zinc/45/99/42/646459942.db2.gz NKLBITFVIHEWQO-VIFPVBQESA-N 2 0 222.336 1.272 20 0 BDADRP Cc1cc([C@@H](C)NCCC(C)(C)[NH3+])no1 ZINC000925737734 646460247 /nfs/dbraw/zinc/46/02/47/646460247.db2.gz KJMQWXQDCBAGJJ-SECBINFHSA-N 2 0 211.309 1.761 20 0 BDADRP COCC[C@H]1CCC[C@@H]1[NH2+]CCC(C)(C)[NH3+] ZINC000925739177 646462979 /nfs/dbraw/zinc/46/29/79/646462979.db2.gz UQBKAZZHBZFGER-NEPJUHHUSA-N 2 0 228.380 1.909 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000925785414 646464557 /nfs/dbraw/zinc/46/45/57/646464557.db2.gz NIARJEYSVDRYIJ-XQHKEYJVSA-N 2 0 226.364 1.389 20 0 BDADRP CCC1([NH3+])CCN([C@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000925760400 646466621 /nfs/dbraw/zinc/46/66/21/646466621.db2.gz MJWDEHFEZYHINM-OLZOCXBDSA-N 2 0 239.407 1.578 20 0 BDADRP CCC1([NH3+])CC[NH+]([C@@H](C)Cc2cnccn2)CC1 ZINC000925761261 646466961 /nfs/dbraw/zinc/46/69/61/646466961.db2.gz XTTKUNSQIXHYOO-LBPRGKRZSA-N 2 0 248.374 1.611 20 0 BDADRP CCC1([NH3+])CCN([C@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000925758509 646467256 /nfs/dbraw/zinc/46/72/56/646467256.db2.gz CCYQBLQBTXIXOP-VXGBXAGGSA-N 2 0 225.380 1.330 20 0 BDADRP CCC1([NH3+])CCN([C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000925761802 646467272 /nfs/dbraw/zinc/46/72/72/646467272.db2.gz ZITBFEKQLRUANH-MNOVXSKESA-N 2 0 213.369 1.316 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](CO)C[C@@H]1CCCO1 ZINC000925768787 646468176 /nfs/dbraw/zinc/46/81/76/646468176.db2.gz XDZWSNFNQWFJSD-UPJWGTAASA-N 2 0 244.379 1.024 20 0 BDADRP Nc1cc[nH+]c(CN[C@@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925768083 646469487 /nfs/dbraw/zinc/46/94/87/646469487.db2.gz SFUGGVMWHYEDCY-NWDGAFQWSA-N 2 0 232.331 1.023 20 0 BDADRP COC[C@H](C)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000925771653 646473440 /nfs/dbraw/zinc/47/34/40/646473440.db2.gz ZLKMLBNGOOHDOG-UWVGGRQHSA-N 2 0 237.347 1.534 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC[C@H]1CCCO1 ZINC000925773941 646474007 /nfs/dbraw/zinc/47/40/07/646474007.db2.gz IGBKLNJMAGABRW-OUAUKWLOSA-N 2 0 200.326 1.271 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000925779210 646476862 /nfs/dbraw/zinc/47/68/62/646476862.db2.gz ICESJGGNPANLAT-XVIXHAIJSA-N 2 0 238.375 1.389 20 0 BDADRP CC[C@@H](NC[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000925786046 646480841 /nfs/dbraw/zinc/48/08/41/646480841.db2.gz NIRXGBOLJDZSDF-XJFOESAGSA-N 2 0 239.407 1.352 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)C1CCOCC1 ZINC000925799949 646487043 /nfs/dbraw/zinc/48/70/43/646487043.db2.gz QDLGTWLNRZBNGU-MBNYWOFBSA-N 2 0 240.391 1.637 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000925800282 646487250 /nfs/dbraw/zinc/48/72/50/646487250.db2.gz YHIATTDEMVERIU-AAVRWANBSA-N 3 0 239.407 1.304 20 0 BDADRP CCCC(CCC)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925810119 646490357 /nfs/dbraw/zinc/49/03/57/646490357.db2.gz WBCFBDPIQNZQQG-UHFFFAOYSA-N 2 0 241.423 1.968 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NCc1cc(N(C)C)cc[nH+]1 ZINC000925813486 646491595 /nfs/dbraw/zinc/49/15/95/646491595.db2.gz TZNNRAVCJGHRKF-QWRGUYRKSA-N 2 0 236.363 1.363 20 0 BDADRP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000925824477 646496666 /nfs/dbraw/zinc/49/66/66/646496666.db2.gz UDSVGOCJUPCZEO-NMIFLECGSA-N 2 0 208.349 1.748 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000925832423 646501301 /nfs/dbraw/zinc/50/13/01/646501301.db2.gz PPPYDECMORAQQY-AXTSPUMRSA-N 2 0 236.281 1.902 20 0 BDADRP Cc1cnc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c(C)c1 ZINC000925836195 646504365 /nfs/dbraw/zinc/50/43/65/646504365.db2.gz IUPLPTQRTVYACF-RYUDHWBXSA-N 2 0 221.348 1.914 20 0 BDADRP C(N[C@H]1CC[NH2+]C12CCC2)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925838143 646504896 /nfs/dbraw/zinc/50/48/96/646504896.db2.gz KVDYZPOXDRLCSN-HZSPNIEDSA-N 2 0 249.402 1.393 20 0 BDADRP C[C@@H]1COCC[C@H]1[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925840158 646505833 /nfs/dbraw/zinc/50/58/33/646505833.db2.gz LNNJSSHHCZGDIA-AAVRWANBSA-N 2 0 238.375 1.533 20 0 BDADRP COCCC[C@H](C)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925844493 646508437 /nfs/dbraw/zinc/50/84/37/646508437.db2.gz SXABYPOTYDXZPG-BFHYXJOUSA-N 2 0 240.391 1.923 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000925853802 646511542 /nfs/dbraw/zinc/51/15/42/646511542.db2.gz BREBCEJNXPGXNR-MXWKQRLJSA-N 2 0 202.342 1.253 20 0 BDADRP COC[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)C(C)C ZINC000925872934 646524005 /nfs/dbraw/zinc/52/40/05/646524005.db2.gz BNWCDTRIAGESQK-IHRRRGAJSA-N 2 0 242.407 1.883 20 0 BDADRP Cc1ccc(NCC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])nc1 ZINC000925877044 646527352 /nfs/dbraw/zinc/52/73/52/646527352.db2.gz DNKGVHCNNKYVMA-CHWSQXEVSA-N 2 0 248.374 1.519 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925876482 646528158 /nfs/dbraw/zinc/52/81/58/646528158.db2.gz ZJGGLTHFISDTGE-DBIOUOCHSA-N 2 0 200.326 1.127 20 0 BDADRP C[C@@H](N)[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000925879418 646528624 /nfs/dbraw/zinc/52/86/24/646528624.db2.gz DLDRNCCOOGWOBU-UXOAXIEHSA-N 2 0 247.386 1.792 20 0 BDADRP CO[C@H]1CCC[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000925879557 646528922 /nfs/dbraw/zinc/52/89/22/646528922.db2.gz HXRKASGEUBVQJM-VOAKCMCISA-N 2 0 226.364 1.661 20 0 BDADRP C1CC1([NH2+]C1CC[NH2+]CC1)[C@H]1CCCCO1 ZINC000925892486 646534544 /nfs/dbraw/zinc/53/45/44/646534544.db2.gz BWHKBDVLJBWUBI-GFCCVEGCSA-N 2 0 224.348 1.430 20 0 BDADRP C1CC1([NH2+][C@H]1CCC[NH2+]CC1)[C@@H]1CCCCO1 ZINC000925893125 646534748 /nfs/dbraw/zinc/53/47/48/646534748.db2.gz LKRVIQIKQHOBGS-STQMWFEESA-N 2 0 238.375 1.820 20 0 BDADRP COCC1([NH2+][C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000925924385 646542585 /nfs/dbraw/zinc/54/25/85/646542585.db2.gz SYGTZKUIKWLMEP-OLZOCXBDSA-N 2 0 238.375 1.772 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(CCO)CC1 ZINC000926229018 646600011 /nfs/dbraw/zinc/60/00/11/646600011.db2.gz RKLBVBXYEFLCPI-FUNVUKJBSA-N 2 0 238.375 1.079 20 0 BDADRP CC(C)[C@H]1COCC[C@H]1[NH2+]C[C@@H](C)C[NH+](C)C ZINC000926469213 646652141 /nfs/dbraw/zinc/65/21/41/646652141.db2.gz GODNUZQXVXDHJR-MGPQQGTHSA-N 2 0 242.407 1.835 20 0 BDADRP C[C@@H](C[NH2+][C@@H](C)c1cc[nH]c(=O)c1)C[NH+](C)C ZINC000926475790 646653428 /nfs/dbraw/zinc/65/34/28/646653428.db2.gz WYARVTMCCIPXPJ-QWRGUYRKSA-N 2 0 237.347 1.636 20 0 BDADRP CCC(CC)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000382202530 711553313 /nfs/dbraw/zinc/55/33/13/711553313.db2.gz JOZPEPFKWIJJNK-WXDOIIRRSA-N 2 0 208.349 1.761 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCCCCCO ZINC000925633595 711706475 /nfs/dbraw/zinc/70/64/75/711706475.db2.gz FGYDXZVUFSPHBQ-NSHDSACASA-N 2 0 214.353 1.269 20 0 BDADRP [NH3+]C[C@@H]1C[N@H+](CCCC2CC2)CCCO1 ZINC000313348410 711718718 /nfs/dbraw/zinc/71/87/18/711718718.db2.gz UEZPRZDCBFBULJ-GFCCVEGCSA-N 2 0 212.337 1.226 20 0 BDADRP C[C@@H](CC[NH2+][C@H]1CCCSC1)[NH+](C)C ZINC000700490164 711994665 /nfs/dbraw/zinc/99/46/65/711994665.db2.gz YHTSFEPBMUQARA-QWRGUYRKSA-N 2 0 216.394 1.812 20 0 BDADRP C(C[C@@H]1CCSC1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000704812828 712118550 /nfs/dbraw/zinc/11/85/50/712118550.db2.gz CRQQJCASRUCMKS-NEPJUHHUSA-N 2 0 228.405 1.861 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCSC2)C12CCC2 ZINC000704891575 712120905 /nfs/dbraw/zinc/12/09/05/712120905.db2.gz RLGWPPCEZCZREB-IJLUTSLNSA-N 2 0 240.416 1.989 20 0 BDADRP COc1cc(C[N@H+](C)C2CCC([NH3+])CC2)on1 ZINC000705594053 712131860 /nfs/dbraw/zinc/13/18/60/712131860.db2.gz UXEJDLZKFPGXQF-UHFFFAOYSA-N 2 0 239.319 1.385 20 0 BDADRP Cn1nc(CN2CC[C@@H](CC[NH3+])C2)cc1Cl ZINC000706125030 712140079 /nfs/dbraw/zinc/14/00/79/712140079.db2.gz RTBXKGDNNDSYOC-SECBINFHSA-N 2 0 242.754 1.244 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)CCc1cccs1 ZINC000706655005 712151421 /nfs/dbraw/zinc/15/14/21/712151421.db2.gz HCBZVQBVMXGOGB-UHFFFAOYSA-N 2 0 242.388 1.458 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC000708322816 712187352 /nfs/dbraw/zinc/18/73/52/712187352.db2.gz HTLNNJBODGNBGS-QWHCGFSZSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC000708338121 712189170 /nfs/dbraw/zinc/18/91/70/712189170.db2.gz REWYFXMKEPDTOI-TUAOUCFPSA-N 2 0 226.364 1.471 20 0 BDADRP C[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1C[NH3+] ZINC000708862634 712201165 /nfs/dbraw/zinc/20/11/65/712201165.db2.gz PNXQNHKANZFPMT-GHMZBOCLSA-N 2 0 224.373 1.817 20 0 BDADRP CC(C)([NH3+])CC[NH2+]CC[C@@H]1CCOC1 ZINC000379522992 712387165 /nfs/dbraw/zinc/38/71/65/712387165.db2.gz DQMLOMMTEQPHDG-SNVBAGLBSA-N 2 0 200.326 1.130 20 0 BDADRP C[N@H+](CCC[NH3+])C[C@@H]1CCC2(CCC2)O1 ZINC000712436676 712429859 /nfs/dbraw/zinc/42/98/59/712429859.db2.gz GLYXRWZMWXQNDD-NSHDSACASA-N 2 0 212.337 1.369 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@@H]2CCN2C)CC1 ZINC000712554356 712444946 /nfs/dbraw/zinc/44/49/46/712444946.db2.gz BKKJLJZWMSKLDC-ZDUSSCGKSA-N 2 0 225.380 1.155 20 0 BDADRP CSCC1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000719297466 712804078 /nfs/dbraw/zinc/80/40/78/712804078.db2.gz CGEPICPHKLDFIL-LBPRGKRZSA-N 2 0 228.405 1.671 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1C)C1CC[NH+](C)CC1 ZINC000719643792 712819298 /nfs/dbraw/zinc/81/92/98/712819298.db2.gz FJDJDIVRVZASRP-SGMGOOAPSA-N 2 0 239.407 1.399 20 0 BDADRP C[C@H]1CC[N@H+](CCc2ccns2)C[C@@H]1C[NH3+] ZINC000719843972 712825529 /nfs/dbraw/zinc/82/55/29/712825529.db2.gz FUPOMYLHYUEYBW-QWRGUYRKSA-N 2 0 239.388 1.602 20 0 BDADRP CCO[C@H]1CCC[C@H]([NH2+]CCC[NH+](C)C)C1 ZINC000721200602 712898171 /nfs/dbraw/zinc/89/81/71/712898171.db2.gz JAEKTHBPHWLDJU-STQMWFEESA-N 2 0 228.380 1.875 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000721909214 710689007 /nfs/dbraw/zinc/68/90/07/710689007.db2.gz RBSSESJGOITJGP-WUHRBBMRSA-N 2 0 226.364 1.471 20 0 BDADRP C[C@H]1CC[C@@H]1[NH2+]CCCC[NH+]1CCOCC1 ZINC000381524192 710649822 /nfs/dbraw/zinc/64/98/22/710649822.db2.gz VXDSOXFMIWLRAQ-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2CC[C@H](CC[NH3+])C2)C1 ZINC000721909307 710688865 /nfs/dbraw/zinc/68/88/65/710688865.db2.gz RDSLMQGQDJRYDA-SDDRHHMPSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)C[C@H]1CC[NH3+] ZINC000723886565 710732876 /nfs/dbraw/zinc/73/28/76/710732876.db2.gz LCWMPMUNRLHXSQ-MCIONIFRSA-N 2 0 240.391 1.862 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@H]2CC23CC(O)C3)CC1 ZINC000724991146 710752953 /nfs/dbraw/zinc/75/29/53/710752953.db2.gz AZJHVPZGFVRDRD-MOKVOYLWSA-N 2 0 238.375 1.362 20 0 BDADRP C[C@@H]1C[N@H+](CC2CCOCC2)CC[C@@H]1C[NH3+] ZINC000133088815 710968333 /nfs/dbraw/zinc/96/83/33/710968333.db2.gz ILFNAAFORSEAOE-DGCLKSJQSA-N 2 0 226.364 1.330 20 0 BDADRP C[C@H](C[NH3+])N(C)C[C@H](O)CC1CCCC1 ZINC000382977585 710976228 /nfs/dbraw/zinc/97/62/28/710976228.db2.gz NWIOMBVKRPMKDC-ZYHUDNBSSA-N 2 0 214.353 1.207 20 0 BDADRP C[C@@H](C[NH3+])N(C)C[C@H](O)CC1CCCC1 ZINC000382977581 710976454 /nfs/dbraw/zinc/97/64/54/710976454.db2.gz NWIOMBVKRPMKDC-CMPLNLGQSA-N 2 0 214.353 1.207 20 0 BDADRP CC[NH+](CC)[C@H]1CCN(C[C@@H]([NH3+])CC(F)F)C1 ZINC000383320915 710980002 /nfs/dbraw/zinc/98/00/02/710980002.db2.gz CIQQIXCKJDHORX-QWRGUYRKSA-N 2 0 249.349 1.385 20 0 BDADRP Cc1nccn1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000380641781 712902136 /nfs/dbraw/zinc/90/21/36/712902136.db2.gz UFCMEQGVYUJDKI-AGUYFDCRSA-N 2 0 248.374 1.406 20 0 BDADRP c1cc(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)ccn1 ZINC000385614320 711016904 /nfs/dbraw/zinc/01/69/04/711016904.db2.gz OLFJHBJUYKJIPH-BTFPBAQTSA-N 2 0 243.354 1.210 20 0 BDADRP CC[NH+]1CCC(N[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000385854939 711019932 /nfs/dbraw/zinc/01/99/32/711019932.db2.gz VVUIKLSNKAOHDK-RCZQDCHWSA-N 2 0 249.402 1.057 20 0 BDADRP CCOCCCC[NH2+]CC1CC[NH+](C)CC1 ZINC000388380281 711059709 /nfs/dbraw/zinc/05/97/09/711059709.db2.gz MMJRHTNAQLIZGN-UHFFFAOYSA-N 2 0 228.380 1.735 20 0 BDADRP C(C1CCCC1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000389612308 711082976 /nfs/dbraw/zinc/08/29/76/711082976.db2.gz DWAHMMBHFIIIBJ-QWHCGFSZSA-N 2 0 208.349 1.718 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)C[NH+](C)C ZINC000389730470 711087687 /nfs/dbraw/zinc/08/76/87/711087687.db2.gz SEWKETZUJIFMSK-QJPTWQEYSA-N 2 0 214.353 1.341 20 0 BDADRP C[C@@H](CCO)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000390567828 711125539 /nfs/dbraw/zinc/12/55/39/711125539.db2.gz UGWQIQHBLKZINQ-NSHDSACASA-N 2 0 226.364 1.221 20 0 BDADRP COCC(C)(C)C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000392962289 711154941 /nfs/dbraw/zinc/15/49/41/711154941.db2.gz POKNWAVXAAYGID-NWBUJAPZSA-N 2 0 238.375 1.245 20 0 BDADRP Cc1ncccc1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000393795191 711175142 /nfs/dbraw/zinc/17/51/42/711175142.db2.gz IJYIKOWGHMHXCZ-GFCCVEGCSA-N 2 0 219.332 1.561 20 0 BDADRP Cc1nonc1C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000396449008 711221567 /nfs/dbraw/zinc/22/15/67/711221567.db2.gz FIZMXDKIHZWTGD-SECBINFHSA-N 2 0 238.335 1.198 20 0 BDADRP CCCCOCCC[NH2+][C@H]1CCCN[C@H]1C ZINC000396638322 711361521 /nfs/dbraw/zinc/36/15/21/711361521.db2.gz LZUUOTHJXCEISR-STQMWFEESA-N 2 0 228.380 1.923 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1NCC1([NH+](C)C)CCCC1 ZINC000396585978 711357088 /nfs/dbraw/zinc/35/70/88/711357088.db2.gz HQQQTOMYYBEOLN-QWHCGFSZSA-N 2 0 239.407 1.591 20 0 BDADRP CC[C@H](O)CCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000398547116 711411907 /nfs/dbraw/zinc/41/19/07/711411907.db2.gz FMNLMBBLGDWKLJ-XNBXPENISA-N 2 0 238.375 1.124 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000399283266 711425459 /nfs/dbraw/zinc/42/54/59/711425459.db2.gz ZEFAHIMPQFLIQW-BDAKNGLRSA-N 2 0 237.174 1.851 20 0 BDADRP C[C@@H]([NH3+])C[N@H+](C)CC[C@H]1CC1(Cl)Cl ZINC000399265438 711425895 /nfs/dbraw/zinc/42/58/95/711425895.db2.gz RHNRSYUGMLUVJM-SFYZADRCSA-N 2 0 225.163 1.849 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000399283274 711426379 /nfs/dbraw/zinc/42/63/79/711426379.db2.gz ZEFAHIMPQFLIQW-RKDXNWHRSA-N 2 0 237.174 1.851 20 0 BDADRP CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000723117397 710726037 /nfs/dbraw/zinc/72/60/37/710726037.db2.gz IAYCMOYTEVUDIU-FVCCEPFGSA-N 2 0 208.349 1.716 20 0 BDADRP Cc1nnc([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)[nH]1 ZINC000392468488 711149126 /nfs/dbraw/zinc/14/91/26/711149126.db2.gz PKWRXCIRSYFTFS-SECBINFHSA-N 2 0 237.351 1.106 20 0 BDADRP Cc1nnc([C@H](C)[NH2+]CC2CC[NH+](C)CC2)[nH]1 ZINC000392468490 711149367 /nfs/dbraw/zinc/14/93/67/711149367.db2.gz PKWRXCIRSYFTFS-VIFPVBQESA-N 2 0 237.351 1.106 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CS1 ZINC000397891463 711394771 /nfs/dbraw/zinc/39/47/71/711394771.db2.gz PUSTYHOXXAHCQG-PPPRAXEDSA-N 2 0 238.400 1.466 20 0 BDADRP C[NH+]1CCC(C[NH2+]CCCOC(F)F)CC1 ZINC000398235177 711405174 /nfs/dbraw/zinc/40/51/74/711405174.db2.gz RCNOUXVADUOYLH-UHFFFAOYSA-N 2 0 236.306 1.547 20 0 BDADRP CO[C@H]1CC[C@@H](C)[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000717957825 711492695 /nfs/dbraw/zinc/49/26/95/711492695.db2.gz TXFRYXNGIIACEP-NDBYEHHHSA-N 2 0 226.364 1.613 20 0 BDADRP CC[C@@H]1C[C@H]1C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000723061516 711498575 /nfs/dbraw/zinc/49/85/75/711498575.db2.gz VDNAPDOFUHABGN-OLZOCXBDSA-N 2 0 240.391 1.421 20 0 BDADRP Cc1nc(C)c(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)o1 ZINC000723627740 711527245 /nfs/dbraw/zinc/52/72/45/711527245.db2.gz UASRZZQJTUYGSJ-KWQFWETISA-N 2 0 223.320 1.461 20 0 BDADRP Cc1nc(C)c(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)o1 ZINC000723642512 711529282 /nfs/dbraw/zinc/52/92/82/711529282.db2.gz XDBDWIBDSCLPEH-JSGCOSHPSA-N 2 0 249.358 1.852 20 0 BDADRP Cc1ccc(O)c(C[N@@H+]2CC[C@@H](CC[NH3+])C2)n1 ZINC000723670496 711533357 /nfs/dbraw/zinc/53/33/57/711533357.db2.gz SZTGZICRLJBKRY-LLVKDONJSA-N 2 0 235.331 1.266 20 0 BDADRP CC(C)n1cc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)cn1 ZINC000723668806 711533455 /nfs/dbraw/zinc/53/34/55/711533455.db2.gz DGCQKUUPLDSYRZ-GFCCVEGCSA-N 2 0 236.363 1.635 20 0 BDADRP CCc1cnc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)s1 ZINC000723678552 711533901 /nfs/dbraw/zinc/53/39/01/711533901.db2.gz VPUJURYFRIUZTK-SNVBAGLBSA-N 2 0 239.388 1.876 20 0 BDADRP C[C@H](c1cnccn1)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723713678 711535586 /nfs/dbraw/zinc/53/55/86/711535586.db2.gz XITKVNZDOJCZLD-GHMZBOCLSA-N 2 0 220.320 1.208 20 0 BDADRP Cc1cnc(C[N@@H+]2CC[C@H](CC[NH3+])C2)o1 ZINC000723708793 711535687 /nfs/dbraw/zinc/53/56/87/711535687.db2.gz INROJQYPYPSHIG-JTQLQIEISA-N 2 0 209.293 1.154 20 0 BDADRP Cc1ccncc1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723713220 711535812 /nfs/dbraw/zinc/53/58/12/711535812.db2.gz UYJIFKQLNFJNCL-LBPRGKRZSA-N 2 0 219.332 1.561 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC000723712205 711535942 /nfs/dbraw/zinc/53/59/42/711535942.db2.gz OASZNFGKRUCLLH-JTQLQIEISA-N 2 0 239.750 1.906 20 0 BDADRP Cc1ccc(C[N@@H+]2CC[C@H](CC[NH3+])C2)nc1 ZINC000723713109 711535982 /nfs/dbraw/zinc/53/59/82/711535982.db2.gz SLLCVJHPLVRCGN-LBPRGKRZSA-N 2 0 219.332 1.561 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1CC[NH3+] ZINC000723895372 711544240 /nfs/dbraw/zinc/54/42/40/711544240.db2.gz VTTKKBTULCLIKL-UPJWGTAASA-N 2 0 240.391 1.718 20 0 BDADRP Cc1csc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)n1 ZINC000723908329 711544897 /nfs/dbraw/zinc/54/48/97/711544897.db2.gz HMFNQZQJUOFSQW-MWLCHTKSSA-N 2 0 239.388 1.868 20 0 BDADRP CCc1noc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)n1 ZINC000723910103 711545011 /nfs/dbraw/zinc/54/50/11/711545011.db2.gz WQNYAPUZGMLFGW-NXEZZACHSA-N 2 0 238.335 1.049 20 0 BDADRP CCC[N@@H+]1CC[C@@H](CNc2cc[nH+]cc2CO)C1 ZINC000891967021 711562805 /nfs/dbraw/zinc/56/28/05/711562805.db2.gz CNQDIYXDBBOIHK-LBPRGKRZSA-N 2 0 249.358 1.140 20 0 BDADRP FC1(F)CC[NH2+]C[C@H]1C[NH2+]CC1CC1 ZINC000717284388 711594838 /nfs/dbraw/zinc/59/48/38/711594838.db2.gz HUMZLKYANWHJFR-VIFPVBQESA-N 2 0 204.264 1.231 20 0 BDADRP Cc1nc(C)c(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)[nH]1 ZINC000724786282 711615057 /nfs/dbraw/zinc/61/50/57/711615057.db2.gz BJEWKPXUVDKUQR-OLZOCXBDSA-N 2 0 248.374 1.410 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)C(C)(C)CO ZINC000926573990 711653768 /nfs/dbraw/zinc/65/37/68/711653768.db2.gz RDXIELZMQUBJDN-OLZOCXBDSA-N 2 0 242.407 1.715 20 0 BDADRP C[C@H]([NH3+])CCC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000248880292 711676373 /nfs/dbraw/zinc/67/63/73/711676373.db2.gz SEKVQVWPQIWMOD-QJPTWQEYSA-N 2 0 241.379 1.055 20 0 BDADRP CSC(C)(C)CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000385283631 711687253 /nfs/dbraw/zinc/68/72/53/711687253.db2.gz HBKNSITXQBKCBV-GHMZBOCLSA-N 2 0 228.405 1.669 20 0 BDADRP COC[C@H](C[N@@H+]1CC2CC1(C[NH3+])C2)C(C)C ZINC000721709126 711707080 /nfs/dbraw/zinc/70/70/80/711707080.db2.gz UXGUXUUENZEUFY-CPCZMJQVSA-N 2 0 226.364 1.328 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925711455 711711182 /nfs/dbraw/zinc/71/11/82/711711182.db2.gz ZFUYROWIYSCVSX-BPCQOVAHSA-N 3 0 239.407 1.589 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[C@@H](C3CC3)O2)C1 ZINC000722316500 711734807 /nfs/dbraw/zinc/73/48/07/711734807.db2.gz RYIRCYTWMIZRFU-RQJABVFESA-N 2 0 238.375 1.804 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC[C@@H](C2CC2)O1)C1C[NH2+]C1 ZINC000722325350 711737472 /nfs/dbraw/zinc/73/74/72/711737472.db2.gz PPAAEPCRZLBFCZ-XDTLVQLUSA-N 2 0 224.348 1.142 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000925787458 711751384 /nfs/dbraw/zinc/75/13/84/711751384.db2.gz SVWJLVMGCAHNJS-VOAKCMCISA-N 2 0 225.380 1.092 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCO[C@@H]1CCOC1 ZINC000925875390 711761634 /nfs/dbraw/zinc/76/16/34/711761634.db2.gz SKFRBPRZLZLKJS-UPJWGTAASA-N 2 0 242.363 1.042 20 0 BDADRP COCC(C)(C)[NH2+]CC1CC[NH+](C)CC1 ZINC000125333734 711761643 /nfs/dbraw/zinc/76/16/43/711761643.db2.gz CPFOCXLUGHIYQH-UHFFFAOYSA-N 2 0 214.353 1.343 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000925880152 711761915 /nfs/dbraw/zinc/76/19/15/711761915.db2.gz PAGHUPZVRRDCHL-MEBFFEOJSA-N 3 0 237.391 1.092 20 0 BDADRP C[N@@H+]1CC[C@H]2CN(CCC(=O)C3CC3)CC[C@H]21 ZINC000879581620 711770714 /nfs/dbraw/zinc/77/07/14/711770714.db2.gz MYWICYRADYTQNW-QWHCGFSZSA-N 2 0 236.359 1.382 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@@H](O)CC(C)(C)C1 ZINC000879622187 711771092 /nfs/dbraw/zinc/77/10/92/711771092.db2.gz IVJRZULEFHURKF-OLZOCXBDSA-N 2 0 240.391 1.564 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@H]2CCCSC2)CC1 ZINC000061589307 711839028 /nfs/dbraw/zinc/83/90/28/711839028.db2.gz FFUQAZMABNWCAI-LBPRGKRZSA-N 2 0 228.405 1.813 20 0 BDADRP COC[C@@H](C[NH+]1CCC([NH3+])CC1)C(C)C ZINC000721916483 711918804 /nfs/dbraw/zinc/91/88/04/711918804.db2.gz XPCZCUBYAUXDOL-LLVKDONJSA-N 2 0 214.353 1.328 20 0 BDADRP COC[C@H](C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)C(C)C ZINC000721916610 711918873 /nfs/dbraw/zinc/91/88/73/711918873.db2.gz YZBWPSLYBJWGAH-UPJWGTAASA-N 2 0 226.364 1.056 20 0 BDADRP CO[C@H]1C[C@@H](C[NH+]2CCC(C[NH3+])CC2)C1 ZINC000721917928 711919694 /nfs/dbraw/zinc/91/96/94/711919694.db2.gz CKWBXMLBMGKWHY-TXEJJXNPSA-N 2 0 212.337 1.082 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)C1 ZINC000721928810 711938024 /nfs/dbraw/zinc/93/80/24/711938024.db2.gz VQDLSSMZUJPJGR-NDBYEHHHSA-N 2 0 226.364 1.328 20 0 BDADRP Cc1noc(C)c1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000086109933 711960971 /nfs/dbraw/zinc/96/09/71/711960971.db2.gz LKYKTRQQQOGKHJ-CMPLNLGQSA-N 2 0 223.320 1.508 20 0 BDADRP C[C@@H]1CSCC[N@@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000700239929 711988139 /nfs/dbraw/zinc/98/81/39/711988139.db2.gz XRSNJUALIQWMLD-NEPJUHHUSA-N 2 0 228.405 1.813 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]CC[C@H](C)[NH+](C)C ZINC000700488162 711994247 /nfs/dbraw/zinc/99/42/47/711994247.db2.gz CZHAYYLNLSLOCO-HBNTYKKESA-N 2 0 202.342 1.340 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]CC[C@H](C)[NH+](C)C ZINC000700488159 711994846 /nfs/dbraw/zinc/99/48/46/711994846.db2.gz CZHAYYLNLSLOCO-GARJFASQSA-N 2 0 202.342 1.340 20 0 BDADRP Cc1nc(C[N@@H+]2CC[C@H](CC[NH3+])C2)cs1 ZINC000700631844 712003764 /nfs/dbraw/zinc/00/37/64/712003764.db2.gz UXNVBYVDCUJYAR-JTQLQIEISA-N 2 0 225.361 1.622 20 0 BDADRP COC1CCC([NH2+][C@H](C)C2CC[NH2+]CC2)CC1 ZINC000703803107 712088665 /nfs/dbraw/zinc/08/86/65/712088665.db2.gz HXOLDZGNZTVMBZ-LMWSTFAQSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)CO1 ZINC000703816748 712088960 /nfs/dbraw/zinc/08/89/60/712088960.db2.gz NDNJRTUNWIJRLE-DUJLVANISA-N 2 0 238.375 1.626 20 0 BDADRP CN(C[C@H]([NH3+])CC(F)F)C[C@@H]1CCC[N@H+](C)C1 ZINC000705138795 712123171 /nfs/dbraw/zinc/12/31/71/712123171.db2.gz RQCGTQLMUAVMTH-GHMZBOCLSA-N 2 0 249.349 1.243 20 0 BDADRP CSC1CC([NH2+]C[C@H](C)C[NH+](C)C)C1 ZINC000706775010 712155357 /nfs/dbraw/zinc/15/53/57/712155357.db2.gz JCPUTZYOXKDGCS-WHXUTIOJSA-N 2 0 216.394 1.668 20 0 BDADRP CSC1CC([NH2+]CC2=CC[N@H+](C)CC2)C1 ZINC000706875497 712157871 /nfs/dbraw/zinc/15/78/71/712157871.db2.gz CKHHPLDWTWCFMN-UHFFFAOYSA-N 2 0 226.389 1.732 20 0 BDADRP C[C@@]1(C[N@@H+]2CC[C@]3(CCOC3)C2)CCC[NH2+]C1 ZINC000707211443 712167208 /nfs/dbraw/zinc/16/72/08/712167208.db2.gz BFNTYUCBULXXIG-KGLIPLIRSA-N 2 0 238.375 1.489 20 0 BDADRP C[N@H+](C[C@H]1CC(C)(C)CO1)CC(C)(C)C[NH3+] ZINC000708338523 712188947 /nfs/dbraw/zinc/18/89/47/712188947.db2.gz DLQLYUGQQBEQRL-LLVKDONJSA-N 2 0 228.380 1.718 20 0 BDADRP CC(C)(C)[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000709018199 712206105 /nfs/dbraw/zinc/20/61/05/712206105.db2.gz HBHNFOLFEHZMNM-TUAOUCFPSA-N 2 0 226.364 1.471 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CCSC1)[NH2+]2 ZINC000709430949 712221711 /nfs/dbraw/zinc/22/17/11/712221711.db2.gz QFIZJMKIQNFVGG-IIRVCBMXSA-N 2 0 226.389 1.611 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1ccns1 ZINC000709824814 712228585 /nfs/dbraw/zinc/22/85/85/712228585.db2.gz JBPGDLPIQFNBCI-CMPLNLGQSA-N 2 0 239.388 1.793 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCc1ccns1 ZINC000709825444 712228632 /nfs/dbraw/zinc/22/86/32/712228632.db2.gz MQUXAZDMRRMGPH-NSHDSACASA-N 2 0 239.388 1.663 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCc1ccns1 ZINC000709968001 712235800 /nfs/dbraw/zinc/23/58/00/712235800.db2.gz UNWIWBBUVBVDCO-NXEZZACHSA-N 2 0 225.361 1.401 20 0 BDADRP CC(C)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710640910 712264461 /nfs/dbraw/zinc/26/44/61/712264461.db2.gz GKKCLEIRIVPNQA-UHFFFAOYSA-N 2 0 214.353 1.031 20 0 BDADRP CC[C@@H]1COC[C@@H]1[NH2+]C[C@@H](C)C[NH+](C)C ZINC000711075137 712279141 /nfs/dbraw/zinc/27/91/41/712279141.db2.gz OZTHGTJNVVOIPF-UTUOFQBUSA-N 2 0 214.353 1.199 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000711428556 712299041 /nfs/dbraw/zinc/29/90/41/712299041.db2.gz ZLWMXYMFTRZHHW-IJLUTSLNSA-N 2 0 238.375 1.804 20 0 BDADRP FC[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000711443298 712300823 /nfs/dbraw/zinc/30/08/23/712300823.db2.gz MHZLWTOKOSMYRS-LBPRGKRZSA-N 2 0 214.328 1.668 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@H](CF)C2)CC[NH2+]1 ZINC000711467061 712302422 /nfs/dbraw/zinc/30/24/22/712302422.db2.gz SIGXCGTWOFYKRH-GRYCIOLGSA-N 2 0 214.328 1.666 20 0 BDADRP FC[C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000711458900 712304821 /nfs/dbraw/zinc/30/48/21/712304821.db2.gz ZCXNYRURRNJNFQ-LBPRGKRZSA-N 2 0 214.328 1.668 20 0 BDADRP C(C[NH2+]C1CC1)C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711550504 712309042 /nfs/dbraw/zinc/30/90/42/712309042.db2.gz FFDVVHDCOZWIET-PHIMTYICSA-N 2 0 226.389 1.423 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1C=CCC1 ZINC000711671733 712315835 /nfs/dbraw/zinc/31/58/35/712315835.db2.gz ZOAHLAIEUMWLAN-RYUDHWBXSA-N 2 0 212.337 1.296 20 0 BDADRP [NH3+]C1CCC([NH2+]Cc2nccn2C2CC2)CC1 ZINC000711748692 712324225 /nfs/dbraw/zinc/32/42/25/712324225.db2.gz IAVFHUQRTHKOCU-UHFFFAOYSA-N 2 0 234.347 1.578 20 0 BDADRP CCC[N@H+](CCOC1CC1)C1CC[NH2+]CC1 ZINC000711760304 712326394 /nfs/dbraw/zinc/32/63/94/712326394.db2.gz SOELSNOOYXSEBT-UHFFFAOYSA-N 2 0 226.364 1.629 20 0 BDADRP C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)OC1CC1 ZINC000711776123 712327850 /nfs/dbraw/zinc/32/78/50/712327850.db2.gz GKVNPEGDHVLYQL-AAEUAGOBSA-N 2 0 224.348 1.239 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000712438279 712429811 /nfs/dbraw/zinc/42/98/11/712429811.db2.gz OASJFDLRVUFNBC-RWMBFGLXSA-N 2 0 238.375 1.757 20 0 BDADRP C[N@H+](C[C@H]1CCC2(CCC2)O1)C1CC[NH2+]CC1 ZINC000712437555 712429963 /nfs/dbraw/zinc/42/99/63/712429963.db2.gz IQYSSIXVFFQBLS-CYBMUJFWSA-N 2 0 238.375 1.772 20 0 BDADRP CCN1CC[C@@H]1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000712581739 712433314 /nfs/dbraw/zinc/43/33/14/712433314.db2.gz NSJVOPDBIAWRDN-MELADBBJSA-N 2 0 237.391 1.297 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCN1C)C1CC[NH+](C)CC1 ZINC000712559389 712445960 /nfs/dbraw/zinc/44/59/60/712445960.db2.gz TUEVKASNICVZJO-YPMHNXCESA-N 2 0 225.380 1.010 20 0 BDADRP C=C/C=C/CC[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000713751701 712471007 /nfs/dbraw/zinc/47/10/07/712471007.db2.gz ZXMXYLCVSNPBKW-RDFMZFSFSA-N 2 0 235.375 1.098 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@@H]2CC[C@H](C3CC3)O2)C1 ZINC000715434019 712518654 /nfs/dbraw/zinc/51/86/54/712518654.db2.gz FGBUQCDKJKGHSQ-KWCYVHTRSA-N 2 0 238.375 1.615 20 0 BDADRP [NH3+]C1CC[NH+](C[C@@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000715483023 712520875 /nfs/dbraw/zinc/52/08/75/712520875.db2.gz QEGRLCDXMNURCZ-STQMWFEESA-N 2 0 224.348 1.367 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000715511728 712524375 /nfs/dbraw/zinc/52/43/75/712524375.db2.gz TWYPRSQKBUNVIJ-ZZVYKPCYSA-N 2 0 238.375 1.756 20 0 BDADRP C[C@@H]1COC[C@@H]1[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000715562832 712528938 /nfs/dbraw/zinc/52/89/38/712528938.db2.gz RKBPVHXUYSWXLK-VOAKCMCISA-N 2 0 226.364 1.484 20 0 BDADRP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000716549092 712567553 /nfs/dbraw/zinc/56/75/53/712567553.db2.gz ZFMGNBZYNKXRPO-HUXGKSLCSA-N 2 0 222.376 1.996 20 0 BDADRP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000716549096 712567566 /nfs/dbraw/zinc/56/75/66/712567566.db2.gz ZFMGNBZYNKXRPO-WZBKEBKWSA-N 2 0 222.376 1.996 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000716841448 712577937 /nfs/dbraw/zinc/57/79/37/712577937.db2.gz DZQKAWIXSJKMGC-IJLUTSLNSA-N 2 0 226.364 1.397 20 0 BDADRP C[C@H](C[C@@H]1COCCN1)[NH2+]C[C@@H]1CCC=CO1 ZINC000379974992 712643178 /nfs/dbraw/zinc/64/31/78/712643178.db2.gz FPKUORDFNMGWQP-UPJWGTAASA-N 2 0 240.347 1.036 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CC(C)(C)CO1 ZINC000717283719 712644703 /nfs/dbraw/zinc/64/47/03/712644703.db2.gz FGRLXKCXPAIDBZ-VXGBXAGGSA-N 2 0 228.380 1.909 20 0 BDADRP CC1(C)CO[C@H](CC[NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC000717282047 712644704 /nfs/dbraw/zinc/64/47/04/712644704.db2.gz FWZOXMFFAWVCDN-XQQFMLRXSA-N 2 0 240.391 1.909 20 0 BDADRP CC1(C)CO[C@H](C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000717612275 712662514 /nfs/dbraw/zinc/66/25/14/712662514.db2.gz DSGYBBQMGLIHCJ-SRVKXCTJSA-N 2 0 238.375 1.661 20 0 BDADRP CCC[N@H+](C[C@@H](O)CC)C1CC[NH2+]CC1 ZINC000037689211 712738925 /nfs/dbraw/zinc/73/89/25/712738925.db2.gz RZJUQESPWWKARS-LBPRGKRZSA-N 2 0 214.353 1.221 20 0 BDADRP C[C@H]1[C@H]([NH2+]CC2CC[NH+](C)CC2)CCN1C ZINC000719610330 712816625 /nfs/dbraw/zinc/81/66/25/712816625.db2.gz FYCYZOLXXIVXJH-WCQYABFASA-N 2 0 225.380 1.010 20 0 BDADRP Cc1conc1C[NH+]1CCC(C[NH3+])CC1 ZINC000720370323 712836197 /nfs/dbraw/zinc/83/61/97/712836197.db2.gz XHNNSHNQUNUHER-UHFFFAOYSA-N 2 0 209.293 1.154 20 0 BDADRP Cc1cc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c(C)nn1 ZINC000720585160 712854868 /nfs/dbraw/zinc/85/48/68/712854868.db2.gz WIZDPRDGLYTAMN-ZYHUDNBSSA-N 2 0 234.347 1.263 20 0 BDADRP CC1(C[N@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000720793915 712865945 /nfs/dbraw/zinc/86/59/45/712865945.db2.gz KWPBKDHTCNBNHD-IUCAKERBSA-N 2 0 236.281 1.856 20 0 BDADRP CC1(C)CN(C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C[C@@H]1[NH3+] ZINC000720790204 712865951 /nfs/dbraw/zinc/86/59/51/712865951.db2.gz WAYBOLNGYRODME-CYDGBPFRSA-N 2 0 238.375 1.613 20 0 BDADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@@H]1CC[C@H]3C[C@H]3C1)C2 ZINC000720829820 712868707 /nfs/dbraw/zinc/86/87/07/712868707.db2.gz FESKHSFPAHOVOT-QKGCVVFFSA-N 2 0 234.387 1.964 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)C1 ZINC000720820801 712868913 /nfs/dbraw/zinc/86/89/13/712868913.db2.gz NJRIGZFFLYHBJZ-ZOBORPQBSA-N 2 0 238.375 1.615 20 0 BDADRP CC(C)C[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720874202 712873118 /nfs/dbraw/zinc/87/31/18/712873118.db2.gz WSGJTCHDZYFEGV-DTWKUNHWSA-N 2 0 224.270 1.711 20 0 BDADRP CCC[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720873973 712873400 /nfs/dbraw/zinc/87/34/00/712873400.db2.gz YZYCHPCUVOFZLZ-JGVFFNPUSA-N 2 0 210.243 1.465 20 0 BDADRP CN1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CC[NH2+]CC1 ZINC000720886674 712874162 /nfs/dbraw/zinc/87/41/62/712874162.db2.gz CNBMIMCWXWIJTN-ZIAGYGMSSA-N 2 0 237.391 1.155 20 0 BDADRP CN1CCC[C@@H]2[C@H]1CC[N@@H+]2CC[C@H]1CC[NH2+]C1 ZINC000720890503 712875119 /nfs/dbraw/zinc/87/51/19/712875119.db2.gz MBRLOUQWEOILJQ-MGPQQGTHSA-N 2 0 237.391 1.155 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@](C)(O)C2)C1 ZINC001208606008 957094941 /nfs/dbraw/zinc/09/49/41/957094941.db2.gz DBPBNBUIAOEGTK-KBPBESRZSA-N 2 0 240.391 1.565 20 0 BDADRP COC1CC(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000705481732 957268068 /nfs/dbraw/zinc/26/80/68/957268068.db2.gz KRQZONJTCUDQFD-QTAHKJALSA-N 2 0 212.337 1.142 20 0 BDADRP Cc1c[nH+]c(N2CC[NH+](CC(C)C)CC2)cc1N ZINC000133179559 719336628 /nfs/dbraw/zinc/33/66/28/719336628.db2.gz DBNCUJPAIMMCBG-UHFFFAOYSA-N 2 0 248.374 1.750 20 0 BDADRP Cc1cnc(N2CCC[C@H]([NH+](C)C)C2)c(C[NH3+])c1 ZINC001165036646 721894303 /nfs/dbraw/zinc/89/43/03/721894303.db2.gz URTSKSGTEGWHLN-ZDUSSCGKSA-N 2 0 248.374 1.379 20 0 BDADRP CC1(C)CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000382670365 958713219 /nfs/dbraw/zinc/71/32/19/958713219.db2.gz QNVAZDFJQUXMCQ-ZDUSSCGKSA-N 2 0 240.391 1.565 20 0 BDADRP CC[C@H]1CO[C@H](C)C[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000693581591 958870708 /nfs/dbraw/zinc/87/07/08/958870708.db2.gz XWLHVZNHNXEUIX-WYUUTHIRSA-N 2 0 212.337 1.223 20 0 BDADRP C[C@@H]1CC[C@H](OCC[C@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001217913548 959747072 /nfs/dbraw/zinc/74/70/72/959747072.db2.gz SSUTXCHNPGQPHW-UPJWGTAASA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]1NCCC[C@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000925725661 960820986 /nfs/dbraw/zinc/82/09/86/960820986.db2.gz MIAWHRAPTPDJAD-ZDEQEGDKSA-N 2 0 225.380 1.234 20 0 BDADRP CC[C@H](C)C[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC001152427231 962428119 /nfs/dbraw/zinc/42/81/19/962428119.db2.gz USVKXLRHUSAREV-LBPRGKRZSA-N 2 0 243.395 1.079 20 0 BDADRP Cc1cc2[nH+]ccn2cc1NCC[NH+](C)C ZINC001161669084 963099114 /nfs/dbraw/zinc/09/91/14/963099114.db2.gz YKONJYXGMZWORH-UHFFFAOYSA-N 2 0 218.304 1.616 20 0 BDADRP Cc1cc(C)nc(NC(=[NH2+])NCCCC[NH3+])c1 ZINC001157094186 963531763 /nfs/dbraw/zinc/53/17/63/963531763.db2.gz MNBVDPRSKROESG-UHFFFAOYSA-N 2 0 235.335 1.374 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCCCC[NH+](C)C)CCO1 ZINC001168072607 963600679 /nfs/dbraw/zinc/60/06/79/963600679.db2.gz UXETXYGTYMTFKD-STQMWFEESA-N 2 0 228.380 1.875 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C(C)(C)C(C)(C)[NH3+])CCO1 ZINC001168092198 963686869 /nfs/dbraw/zinc/68/68/69/963686869.db2.gz QJAIWZDBTOXSAP-NXEZZACHSA-N 2 0 214.353 1.659 20 0 BDADRP Cc1cc(N[C@H]([NH3+])CCC[NH3+])ncc1Cl ZINC001159785300 964194046 /nfs/dbraw/zinc/19/40/46/964194046.db2.gz OJBIDIGZKNBEQG-VIFPVBQESA-N 2 0 228.727 1.479 20 0 BDADRP C[N@H+](CCNC1=[NH+]CCCCN1)C1CCCC1 ZINC000697668795 964491729 /nfs/dbraw/zinc/49/17/29/964491729.db2.gz CHJOHJXAIWFSFH-UHFFFAOYSA-N 2 0 238.379 1.190 20 0 BDADRP C[C@H](CC[NH2+]C[C@H]1CCC=CO1)[NH+](C)C ZINC000697877622 964603117 /nfs/dbraw/zinc/60/31/17/964603117.db2.gz CCZZVLPGPCBZLG-VXGBXAGGSA-N 2 0 212.337 1.609 20 0 BDADRP CC[NH2+]CCCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001483505069 965027273 /nfs/dbraw/zinc/02/72/73/965027273.db2.gz PUHWDPKZNMYKTP-LBPRGKRZSA-N 2 0 243.395 1.031 20 0 BDADRP CC[C@H]1COC[C@@H]1[NH2+]CC1CC[NH+](CC)CC1 ZINC000699547117 965968943 /nfs/dbraw/zinc/96/89/43/965968943.db2.gz ZAFGXPUTULYSPQ-KBPBESRZSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1c2cccn2CC[N@H+]1CCCC[NH3+] ZINC001235962663 966185952 /nfs/dbraw/zinc/18/59/52/966185952.db2.gz OVXQOPAJQZPWPH-LLVKDONJSA-N 2 0 207.321 1.604 20 0 BDADRP C[C@@]1([NH3+])CCN(C[C@@H]([NH3+])c2ccccc2)C1 ZINC001204763904 967152142 /nfs/dbraw/zinc/15/21/42/967152142.db2.gz RYHBPCOLIGVEKD-CHWSQXEVSA-N 2 0 219.332 1.110 20 0 BDADRP Cc1n[nH]cc1C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205545336 967685732 /nfs/dbraw/zinc/68/57/32/967685732.db2.gz DLGGWZMXDDQCLG-LBPRGKRZSA-N 2 0 240.326 1.371 20 0 BDADRP [NH3+]CCCCC[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205545428 967690842 /nfs/dbraw/zinc/69/08/42/967690842.db2.gz GZTTXNSFGDPTKR-LBPRGKRZSA-N 3 0 231.359 1.268 20 0 BDADRP [NH3+]C[C@]1(O)CCCC[N@H+](CC2CCCCC2)C1 ZINC001205662448 967739843 /nfs/dbraw/zinc/73/98/43/967739843.db2.gz AXYUPZVVWMOIDU-CQSZACIVSA-N 2 0 240.391 1.742 20 0 BDADRP C[C@@H]1CN(C[C@H]2CCC[NH2+]2)CCC[C@H]1C[NH3+] ZINC001205985120 967936391 /nfs/dbraw/zinc/93/63/91/967936391.db2.gz WADDJBJJQUFWAR-FRRDWIJNSA-N 2 0 225.380 1.045 20 0 BDADRP C[C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)C[C@H]1[NH3+] ZINC001206037816 968003711 /nfs/dbraw/zinc/00/37/11/968003711.db2.gz XOIPXXFEXDPVQZ-DGCLKSJQSA-N 3 0 225.380 1.045 20 0 BDADRP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCCSCC1 ZINC000699197290 968069931 /nfs/dbraw/zinc/06/99/31/968069931.db2.gz XQNHXUCJVFZKJR-YHWZYXNKSA-N 2 0 240.416 1.956 20 0 BDADRP CCOC(=O)C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206294039 968200389 /nfs/dbraw/zinc/20/03/89/968200389.db2.gz ITNCWMXZNCFAQE-GFCCVEGCSA-N 2 0 228.336 1.000 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@H+](CCCCO)CC1 ZINC001206296819 968207620 /nfs/dbraw/zinc/20/76/20/968207620.db2.gz VBMMGUNFNGNXMU-GFCCVEGCSA-N 2 0 214.353 1.210 20 0 BDADRP C[C@@H]1CC[N@H+](CC(C)(C)C[NH+](C)C)C[C@H]1O ZINC001207274763 968706831 /nfs/dbraw/zinc/70/68/31/968706831.db2.gz GLKAWVZEUJLKLC-VXGBXAGGSA-N 2 0 228.380 1.277 20 0 BDADRP C[NH+](C)CC(C)(C)C[N@@H+]1CCCC[C@@](C)(O)C1 ZINC001207275408 968714239 /nfs/dbraw/zinc/71/42/39/968714239.db2.gz NDZHDCJRTDEBBE-CQSZACIVSA-N 2 0 242.407 1.811 20 0 BDADRP CN1CC[N@H+](CC2CC[NH+](C)CC2)CC1(C)C ZINC001207398889 968746578 /nfs/dbraw/zinc/74/65/78/968746578.db2.gz UBFIPPYDWCLPBA-UHFFFAOYSA-N 2 0 239.407 1.354 20 0 BDADRP CCC[C@H](O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC001252783677 968956008 /nfs/dbraw/zinc/95/60/08/968956008.db2.gz IQVQZERLLXFCLC-ZDUSSCGKSA-N 2 0 228.380 1.565 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)CC1 ZINC001208592224 969145903 /nfs/dbraw/zinc/14/59/03/969145903.db2.gz FFSUEQFGTFSUGV-OLZOCXBDSA-N 2 0 244.354 1.123 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2[C@@H](C)CC[C@H]2CO)CC1 ZINC001208592040 969147862 /nfs/dbraw/zinc/14/78/62/969147862.db2.gz BKAFCIMEQNIMRF-JSGCOSHPSA-N 2 0 240.391 1.564 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCC[NH+](C)C2)CC[C@]1(C)O ZINC001208606501 969155505 /nfs/dbraw/zinc/15/55/05/969155505.db2.gz HDAPWXVGCMFYGD-MCIONIFRSA-N 2 0 240.391 1.421 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C[C@@H]1CCC[NH+](C)C1 ZINC001208606735 969164967 /nfs/dbraw/zinc/16/49/67/969164967.db2.gz GTYYZVCLFZZMCL-BFHYXJOUSA-N 2 0 239.407 1.353 20 0 BDADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@@H]1CC12CCC2 ZINC001253410961 969165715 /nfs/dbraw/zinc/16/57/15/969165715.db2.gz YOIIOBSSPWINES-WDEREUQCSA-N 2 0 226.364 1.268 20 0 BDADRP CCCCC[C@@H](O)C[NH2+]CC1CC[NH+](C)CC1 ZINC001253546896 969216063 /nfs/dbraw/zinc/21/60/63/969216063.db2.gz DDRGCDULTDJOES-CQSZACIVSA-N 2 0 242.407 1.859 20 0 BDADRP COCOCCC[N@@H+]1C[C@H]2CCCN(C)[C@H]2C1 ZINC001209032714 969326630 /nfs/dbraw/zinc/32/66/30/969326630.db2.gz UDVCPPHVHWYSGT-OLZOCXBDSA-N 2 0 242.363 1.023 20 0 BDADRP CCOC(C)(C)C[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001209077102 969348459 /nfs/dbraw/zinc/34/84/59/969348459.db2.gz YGIAVBZUYLYSFW-TZMCWYRMSA-N 2 0 240.391 1.685 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCSCC1)C2 ZINC001169129130 969438106 /nfs/dbraw/zinc/43/81/06/969438106.db2.gz GYVFDRNNNNLVKZ-GDNZZTSVSA-N 2 0 226.389 1.660 20 0 BDADRP CC[NH+]1CCC(N(C)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001169258733 969544482 /nfs/dbraw/zinc/54/44/82/969544482.db2.gz PJVJMLGVCRBDKA-CYBMUJFWSA-N 2 0 225.380 1.107 20 0 BDADRP C[C@H]1OCC[C@H]1C[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001254497271 969656703 /nfs/dbraw/zinc/65/67/03/969656703.db2.gz IZSKQIQCGJEBLF-AGIUHOORSA-N 2 0 226.364 1.485 20 0 BDADRP C[N@@H+]1CCC[C@H](NC(C)(C)C(C)(C)[NH3+])CC1 ZINC001254508127 969683565 /nfs/dbraw/zinc/68/35/65/969683565.db2.gz GXBPZBPAYOJBOF-NSHDSACASA-N 2 0 227.396 1.576 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH+]2C[C@@H]3C[C@H]2C[C@@H]3F)CC1 ZINC001254529619 969727781 /nfs/dbraw/zinc/72/77/81/969727781.db2.gz OTSBJTOMEHHNQU-CYDGBPFRSA-N 2 0 226.339 1.903 20 0 BDADRP CC[N@H+](CCC[NH+](C)C)[C@@H]1CCSC1 ZINC001255295184 970057994 /nfs/dbraw/zinc/05/79/94/970057994.db2.gz VQGZAEWFBOTICZ-LLVKDONJSA-N 2 0 216.394 1.766 20 0 BDADRP CN1CC[C@@H]([NH2+]CCCCC[NH+]2CCCC2)C1 ZINC001255417316 970140027 /nfs/dbraw/zinc/14/00/27/970140027.db2.gz KFZXSTXNOWTBJB-CQSZACIVSA-N 2 0 239.407 1.546 20 0 BDADRP COC[C@H](C)[NH2+]CCCCCCC[NH3+] ZINC001255560390 970337797 /nfs/dbraw/zinc/33/77/97/970337797.db2.gz DQOIFKGQXQAXRS-NSHDSACASA-N 2 0 202.342 1.520 20 0 BDADRP COC[C@H](C)[NH2+]CC1CC[NH+](CC(C)C)CC1 ZINC001255561785 970344672 /nfs/dbraw/zinc/34/46/72/970344672.db2.gz JASJMDNVMYYCSD-ZDUSSCGKSA-N 2 0 242.407 1.979 20 0 BDADRP COC[C@@H](C)[NH+]1CCC([NH3+])(CC2CC2)CC1 ZINC001255561831 970345846 /nfs/dbraw/zinc/34/58/46/970345846.db2.gz KIONNCSXZORLIR-LLVKDONJSA-N 2 0 226.364 1.615 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000690417070 970516215 /nfs/dbraw/zinc/51/62/15/970516215.db2.gz VVBGFWPGUSSILF-CHWSQXEVSA-N 2 0 226.364 1.474 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+][C@H]1[C@@H]2COC[C@@H]21 ZINC001255945443 970566068 /nfs/dbraw/zinc/56/60/68/970566068.db2.gz FYOYADVXGCYKAL-WUHRBBMRSA-N 2 0 226.364 1.341 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)n1ccnc1C[NH3+] ZINC001255940585 970570663 /nfs/dbraw/zinc/57/06/63/970570663.db2.gz DTNHRXFGBDZMFV-LLVKDONJSA-N 2 0 224.352 1.635 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)NC[C@H]1CC[N@H+](C)C1 ZINC001255944684 970574978 /nfs/dbraw/zinc/57/49/78/970574978.db2.gz XSQKDFYJYBDXBZ-ZIAGYGMSSA-N 2 0 241.423 1.648 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N[C@H]1CCC[C@H]([NH3+])C1 ZINC001255949695 970583313 /nfs/dbraw/zinc/58/33/13/970583313.db2.gz ALCZLKYYTFLZCM-IHRRRGAJSA-N 2 0 241.423 1.966 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]CC1(O)CCC1 ZINC001255947171 970583374 /nfs/dbraw/zinc/58/33/74/970583374.db2.gz OZKIIIIZJSOVRF-GFCCVEGCSA-N 2 0 228.380 1.611 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CC[C@H](OC)C1 ZINC001255957014 970594621 /nfs/dbraw/zinc/59/46/21/970594621.db2.gz OAIDQBJTRNQGQP-OLZOCXBDSA-N 2 0 228.380 1.828 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@H](O)CC1 ZINC001255956030 970596822 /nfs/dbraw/zinc/59/68/22/970596822.db2.gz GBFKHZTWRLHYJE-KBPBESRZSA-N 2 0 242.407 1.954 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@H](OC)C1 ZINC001255957020 970598263 /nfs/dbraw/zinc/59/82/63/970598263.db2.gz OAIDQBJTRNQGQP-STQMWFEESA-N 2 0 228.380 1.828 20 0 BDADRP CN1CCC([N@@H+]2CCCOC(C)(C)C2)CC1 ZINC001256207413 970707939 /nfs/dbraw/zinc/70/79/39/970707939.db2.gz IQELXEOETFNPGB-UHFFFAOYSA-N 2 0 226.364 1.582 20 0 BDADRP CC[NH+](CC)C1CCC([NH+]2CC(O)C2)CC1 ZINC001173108210 975025624 /nfs/dbraw/zinc/02/56/24/975025624.db2.gz GERVYCWGDRUXBF-UHFFFAOYSA-N 2 0 226.364 1.316 20 0 BDADRP CC[C@@H]1CC[C@H]([NH2+]CCSCC[NH3+])C1 ZINC001173274940 975155052 /nfs/dbraw/zinc/15/50/52/975155052.db2.gz RKKWZYNXPNZCJM-MNOVXSKESA-N 2 0 216.394 1.847 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]C1Cc2cc(F)c(F)cc2C1 ZINC001173476727 975380515 /nfs/dbraw/zinc/38/05/15/975380515.db2.gz TUEWSEDIGFHGPR-QMMMGPOBSA-N 2 0 240.297 1.616 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@H]1CCC[C@@H](F)C1 ZINC001333595499 975880104 /nfs/dbraw/zinc/88/01/04/975880104.db2.gz GGXJZNBQBXIPEN-VWYCJHECSA-N 2 0 214.328 1.997 20 0 BDADRP CC[C@H](C)[C@@](C)(O)C[NH2+]CC1CC[NH+](C)CC1 ZINC001333680869 975982205 /nfs/dbraw/zinc/98/22/05/975982205.db2.gz XKQPSAPPUYJLOX-JSGCOSHPSA-N 2 0 242.407 1.715 20 0 BDADRP CC1(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)OCCO1 ZINC001334391650 976487222 /nfs/dbraw/zinc/48/72/22/976487222.db2.gz WZKLARCMLBETRZ-GHMZBOCLSA-N 2 0 242.363 1.245 20 0 BDADRP C(CN[C@@H]1CC[NH2+]C12CCC2)C[NH+]1CCCC1 ZINC001335250836 976897870 /nfs/dbraw/zinc/89/78/70/976897870.db2.gz HIWJNTADEAOXMB-CYBMUJFWSA-N 2 0 237.391 1.347 20 0 BDADRP CO[C@@H]1CC[C@H]([NH2+][C@H]2CC[NH2+]C2(C)C)C1 ZINC001335252967 976898195 /nfs/dbraw/zinc/89/81/95/976898195.db2.gz QZURPIVDIHFGDF-AXFHLTTASA-N 2 0 212.337 1.284 20 0 BDADRP CC[C@H]([NH3+])CN1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235040520 978959500 /nfs/dbraw/zinc/95/95/00/978959500.db2.gz LIDBPUUJYGMWKC-QWHCGFSZSA-N 2 0 225.380 1.332 20 0 BDADRP CN(CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC001235342033 979031843 /nfs/dbraw/zinc/03/18/43/979031843.db2.gz GQSZECAQXKMQHM-QWHCGFSZSA-N 2 0 225.380 1.060 20 0 BDADRP CCN(CC[C@H]1CCCC[NH2+]1)C1CC[NH2+]CC1 ZINC001235762188 979145822 /nfs/dbraw/zinc/14/58/22/979145822.db2.gz WKZQLGOTHJYCIR-CYBMUJFWSA-N 2 0 239.407 1.593 20 0 BDADRP C[C@@H]1CC[C@H]([NH3+])CN1Cc1cccc(N)c1 ZINC001235900899 979193318 /nfs/dbraw/zinc/19/33/18/979193318.db2.gz CPADVIWCKOYQJK-MFKMUULPSA-N 2 0 219.332 1.580 20 0 BDADRP CC1(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)CCOCC1 ZINC001235980868 979257072 /nfs/dbraw/zinc/25/70/72/979257072.db2.gz RYIFFDCKNHANHJ-WCQYABFASA-N 2 0 224.348 1.226 20 0 BDADRP CC1(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)CCOCC1 ZINC001235980865 979255671 /nfs/dbraw/zinc/25/56/71/979255671.db2.gz RYIFFDCKNHANHJ-AAEUAGOBSA-N 2 0 224.348 1.226 20 0 BDADRP CCN(CCC1CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC001236007349 979299611 /nfs/dbraw/zinc/29/96/11/979299611.db2.gz YJCRJEVGBCRMHV-CQSZACIVSA-N 2 0 239.407 1.450 20 0 BDADRP [NH3+]CCCCN(CC[NH3+])Cc1ccccc1 ZINC001236521304 979615213 /nfs/dbraw/zinc/61/52/13/979615213.db2.gz KFRSOOMCIGOCJC-UHFFFAOYSA-N 2 0 221.348 1.186 20 0 BDADRP CC[C@@H]([NH3+])CN1CCCC[C@@](C)(C[NH3+])C1 ZINC001206541716 979642724 /nfs/dbraw/zinc/64/27/24/979642724.db2.gz IFNACGKQOJMWLV-NEPJUHHUSA-N 2 0 213.369 1.175 20 0 BDADRP C[N@@H+]1CCC[C@@H](CN2CCC[C@@](C)([NH3+])CC2)C1 ZINC001205254869 979727257 /nfs/dbraw/zinc/72/72/57/979727257.db2.gz CYEKORMZQNZYEX-ZIAGYGMSSA-N 2 0 239.407 1.532 20 0 BDADRP [NH3+]C[C@@]1(F)CCC[N@H+](C[C@@H]2CCC=CO2)CC1 ZINC001205546011 980946569 /nfs/dbraw/zinc/94/65/69/980946569.db2.gz OQIWTUNJQJHERJ-QWHCGFSZSA-N 2 0 242.338 1.832 20 0 BDADRP c1nc(CC[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cs1 ZINC001580897227 981735405 /nfs/dbraw/zinc/73/54/05/981735405.db2.gz KUIQPOBHMQIQQA-MNOVXSKESA-N 2 0 237.372 1.227 20 0 BDADRP C[C@H]([NH2+][C@H]1C[C@@H]2CC[C@@H]([NH2+]2)[C@H]1C)C1CC1 ZINC001350955214 982134541 /nfs/dbraw/zinc/13/45/41/982134541.db2.gz HTXJJOBSCDUJHF-RLWROLQLSA-N 2 0 208.349 1.904 20 0 BDADRP CC[C@@H]1CC[C@@H]([NH2+]CCN2CC[NH+](C)CC2)C1 ZINC000080457089 982431283 /nfs/dbraw/zinc/43/12/83/982431283.db2.gz QCLQWXWKHNSLKM-ZIAGYGMSSA-N 2 0 239.407 1.402 20 0 BDADRP CC[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H]2CCCOC2)C1 ZINC001199842933 983024903 /nfs/dbraw/zinc/02/49/03/983024903.db2.gz JNRWPRJZKMAPQZ-KBPBESRZSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1CCCCCC[NH3+] ZINC001205902550 983113956 /nfs/dbraw/zinc/11/39/56/983113956.db2.gz KGVUQDOJUFESRE-OLZOCXBDSA-N 3 0 227.396 1.565 20 0 BDADRP CC(C)COCC[C@H](C)[NH2+]C[C@@H](C)C[NH3+] ZINC001172463389 974828117 /nfs/dbraw/zinc/82/81/17/974828117.db2.gz NQGZHEINWXIKAG-RYUDHWBXSA-N 2 0 216.369 1.622 20 0 BDADRP CC[C@@H]1C[C@H](N2CCCC[C@@H]2C[NH3+])CC[NH2+]1 ZINC001246542457 972581273 /nfs/dbraw/zinc/58/12/73/972581273.db2.gz QNAJKCNNLARMHO-JHJVBQTASA-N 2 0 225.380 1.330 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246652866 973068869 /nfs/dbraw/zinc/06/88/69/973068869.db2.gz HTKVWPBUZRNCOL-MELADBBJSA-N 2 0 239.407 1.530 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+]Cc1ccc(F)cc1 ZINC001328677099 973259074 /nfs/dbraw/zinc/25/90/74/973259074.db2.gz JUOIYHKIUHJMOW-SNVBAGLBSA-N 2 0 210.296 1.913 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC001329023703 973434814 /nfs/dbraw/zinc/43/48/14/973434814.db2.gz NEMMMTFLWXFVHA-XQHKEYJVSA-N 2 0 240.391 1.778 20 0 BDADRP C[C@H](Cc1ccccn1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001256420152 970826166 /nfs/dbraw/zinc/82/61/66/970826166.db2.gz BFZRQBDBXXFPAK-MCIONIFRSA-N 2 0 245.370 1.506 20 0 BDADRP CN1CC2(C1)CC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001256629345 970893297 /nfs/dbraw/zinc/89/32/97/970893297.db2.gz AWSRTPFYVUGKQH-PBWFPOADSA-N 2 0 249.402 1.249 20 0 BDADRP CC[N@H+](CC(C)(C)O)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256628992 970895246 /nfs/dbraw/zinc/89/52/46/970895246.db2.gz UGGAVJMQVQOCBG-FUNVUKJBSA-N 2 0 240.391 1.704 20 0 BDADRP CC[C@H](C(=O)NCC[NH2+]C[C@@H](C)CC)[NH+](C)C ZINC001130203303 970947666 /nfs/dbraw/zinc/94/76/66/970947666.db2.gz IYEYQJWSIWRJFZ-NWDGAFQWSA-N 2 0 243.395 1.079 20 0 BDADRP CC1([NH3+])CN(C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001256854611 970998989 /nfs/dbraw/zinc/99/89/89/970998989.db2.gz VPIPOSXLFIABAP-UHFFFAOYSA-N 2 0 246.358 1.083 20 0 BDADRP [NH3+]CCCC[NH2+][C@H]1CCCN(C2CCCC2)C1 ZINC001256900294 971013867 /nfs/dbraw/zinc/01/38/67/971013867.db2.gz LNUHDODGOMCMOS-ZDUSSCGKSA-N 2 0 239.407 1.722 20 0 BDADRP [NH3+]C1CN([C@@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256898597 971016151 /nfs/dbraw/zinc/01/61/51/971016151.db2.gz NNRTXQLRKAAVKH-CYBMUJFWSA-N 2 0 223.364 1.036 20 0 BDADRP CC(C)[NH+]1CCC([N@@H+]2CC[C@@](C)(CO)C2)CC1 ZINC001257214299 971125960 /nfs/dbraw/zinc/12/59/60/971125960.db2.gz AAWHBXWWVKZINM-CQSZACIVSA-N 2 0 240.391 1.564 20 0 BDADRP CC(C)[NH+]1CCC(n2ccc([C@@H](C)[NH3+])n2)CC1 ZINC001257207706 971127355 /nfs/dbraw/zinc/12/73/55/971127355.db2.gz DGFAQJHSCYVYSF-LLVKDONJSA-N 2 0 236.363 1.948 20 0 BDADRP CCC[C@H](C)N(CC[NH3+])CC[NH+](CC)CC ZINC001257308069 971199310 /nfs/dbraw/zinc/19/93/10/971199310.db2.gz FIEJOYMJDFFGHL-ZDUSSCGKSA-N 2 0 229.412 1.778 20 0 BDADRP CO[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)C(C)C ZINC000405214803 971206993 /nfs/dbraw/zinc/20/69/93/971206993.db2.gz JPKWJFKNCINXJB-UTUOFQBUSA-N 2 0 226.364 1.517 20 0 BDADRP CC[C@H](C)[C@H](C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)OC ZINC000405215554 971207328 /nfs/dbraw/zinc/20/73/28/971207328.db2.gz JUQZVMAZRNYVGD-CYDGBPFRSA-N 2 0 240.391 1.907 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405203601 971207356 /nfs/dbraw/zinc/20/73/56/971207356.db2.gz CCJQYMPDPYDYBT-XWLWVQCSSA-N 2 0 212.337 1.005 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2C[C@H]([NH3+])C23CCC3)CC[N@@H+]1C ZINC000405200769 971210101 /nfs/dbraw/zinc/21/01/01/971210101.db2.gz CPXSMZQDIUPCQD-NDBYEHHHSA-N 2 0 237.391 1.329 20 0 BDADRP [NH3+][C@@H]1C[C@H](N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C12CCC2 ZINC000405222616 971212236 /nfs/dbraw/zinc/21/22/36/971212236.db2.gz NFOLSOXBKAOUMV-FQUUOJAGSA-N 2 0 249.402 1.473 20 0 BDADRP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)[C@H](C)O ZINC000405237106 971216750 /nfs/dbraw/zinc/21/67/50/971216750.db2.gz FGDYUZJBMLLUDK-XWLWVQCSSA-N 2 0 212.337 1.005 20 0 BDADRP Cc1ccncc1C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405265645 971226705 /nfs/dbraw/zinc/22/67/05/971226705.db2.gz RDRRYBNNDDGENA-STQMWFEESA-N 2 0 231.343 1.750 20 0 BDADRP COc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)cc1 ZINC000405287361 971226045 /nfs/dbraw/zinc/22/60/45/971226045.db2.gz HBTHUIZQTJFWRA-OLZOCXBDSA-N 2 0 234.343 1.911 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]C2CCSCC2)C12CCC2 ZINC000405297233 971229984 /nfs/dbraw/zinc/22/99/84/971229984.db2.gz HOJUFHXEJWNMSF-WDEREUQCSA-N 2 0 226.389 1.742 20 0 BDADRP CC1(C)[C@H]([NH2+]CCCOC(F)(F)F)C[C@@H]1[NH3+] ZINC000405306840 971230031 /nfs/dbraw/zinc/23/00/31/971230031.db2.gz XYZPYNHUBVSEKY-JGVFFNPUSA-N 2 0 240.269 1.628 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]CCCCCO)C12CCC2 ZINC000405304386 971231339 /nfs/dbraw/zinc/23/13/39/971231339.db2.gz LISGSUIQRZWMIZ-WDEREUQCSA-N 2 0 212.337 1.009 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CCC(F)(F)F)C12CCC2 ZINC000405303347 971231670 /nfs/dbraw/zinc/23/16/70/971231670.db2.gz KUFQFNUCHCMRCJ-SFYZADRCSA-N 2 0 222.254 1.798 20 0 BDADRP CC[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)OC ZINC000405316510 971231910 /nfs/dbraw/zinc/23/19/10/971231910.db2.gz RRYGEXINEUJMOP-GMTAPVOTSA-N 2 0 212.337 1.271 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2CCSC2)C12CCC2 ZINC000405315342 971233037 /nfs/dbraw/zinc/23/30/37/971233037.db2.gz RCMKMGOAUHAPBM-HBNTYKKESA-N 2 0 226.389 1.599 20 0 BDADRP CSC(C)(C)C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405312618 971233170 /nfs/dbraw/zinc/23/31/70/971233170.db2.gz PNXGGTZRSVCBND-ZJUUUORDSA-N 2 0 228.405 1.988 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)C12CCC2 ZINC000405343292 971239069 /nfs/dbraw/zinc/23/90/69/971239069.db2.gz FAECMXYINUOMID-IYKVGLELSA-N 2 0 206.333 1.644 20 0 BDADRP CC(C)(CCCO)C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405345402 971240131 /nfs/dbraw/zinc/24/01/31/971240131.db2.gz KOKBURAXADQCJV-VXGBXAGGSA-N 2 0 240.391 1.645 20 0 BDADRP CC[C@H](CCO)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405370607 971240889 /nfs/dbraw/zinc/24/08/89/971240889.db2.gz YVVJYIYRCBDJRZ-VWYCJHECSA-N 2 0 212.337 1.007 20 0 BDADRP CC(C)(CCO)C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405385062 971247736 /nfs/dbraw/zinc/24/77/36/971247736.db2.gz DWSUXMSBXFQULV-GHMZBOCLSA-N 2 0 226.364 1.255 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2CCCCO2)C12CCC2 ZINC000405367920 971242479 /nfs/dbraw/zinc/24/24/79/971242479.db2.gz XKURVDCOKOXVPE-UTUOFQBUSA-N 2 0 224.348 1.415 20 0 BDADRP CCC[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)OC ZINC000405392337 971247311 /nfs/dbraw/zinc/24/73/11/971247311.db2.gz HBSKLVSDDGMTKC-IJLUTSLNSA-N 2 0 226.364 1.661 20 0 BDADRP CC(C)OCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405351473 971243384 /nfs/dbraw/zinc/24/33/84/971243384.db2.gz OKTGMWMTTPZUKO-QWRGUYRKSA-N 2 0 212.337 1.271 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCO2)C12CCC2 ZINC000405367913 971244056 /nfs/dbraw/zinc/24/40/56/971244056.db2.gz XKURVDCOKOXVPE-IJLUTSLNSA-N 2 0 224.348 1.415 20 0 BDADRP CC[C@H](CCO)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405370605 971244164 /nfs/dbraw/zinc/24/41/64/971244164.db2.gz YVVJYIYRCBDJRZ-OUAUKWLOSA-N 2 0 212.337 1.007 20 0 BDADRP CCCCOCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405394002 971248258 /nfs/dbraw/zinc/24/82/58/971248258.db2.gz HRJBIIZPVRJZOA-NWDGAFQWSA-N 2 0 226.364 1.663 20 0 BDADRP CSCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405395430 971249067 /nfs/dbraw/zinc/24/90/67/971249067.db2.gz IFUGMXRZGVKPSN-DTWKUNHWSA-N 2 0 200.351 1.209 20 0 BDADRP COC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)C(C)C ZINC000405444215 971256495 /nfs/dbraw/zinc/25/64/95/971256495.db2.gz WDSVYIBCCRMXOU-TUAOUCFPSA-N 2 0 226.364 1.517 20 0 BDADRP CCC1(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)COC1 ZINC000405515175 971264010 /nfs/dbraw/zinc/26/40/10/971264010.db2.gz ULGCELNJFNEOKY-QWRGUYRKSA-N 2 0 224.348 1.273 20 0 BDADRP CCCCCC[C@H](C)[NH+]1CCN(CC[NH3+])CC1 ZINC001257363294 971278987 /nfs/dbraw/zinc/27/89/87/971278987.db2.gz QTYIGMHLEHZCAE-AWEZNQCLSA-N 2 0 241.423 1.922 20 0 BDADRP C[C@@H]1[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CO[C@H]1C ZINC000405594835 971279869 /nfs/dbraw/zinc/27/98/69/971279869.db2.gz CCTZAGKAWUBIQK-BHKIZMMLSA-N 2 0 238.375 1.625 20 0 BDADRP COC(C)(C)CC[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC000405870980 971316474 /nfs/dbraw/zinc/31/64/74/971316474.db2.gz HVLIWFGCQSKVLA-LLVKDONJSA-N 2 0 200.326 1.225 20 0 BDADRP CC[C@@H](C)[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC001257427792 971333201 /nfs/dbraw/zinc/33/32/01/971333201.db2.gz UILODQDSIQIRCY-GFCCVEGCSA-N 2 0 227.396 1.401 20 0 BDADRP C[NH2+][C@H]1C[C@@H](OCC[C@@H]2CCC[NH2+]C2)C1 ZINC001217767623 971394492 /nfs/dbraw/zinc/39/44/92/971394492.db2.gz ZLHABFSCGFTGMC-SDDRHHMPSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H]1OCCC[C@H]1CCC[NH2+]C1 ZINC001217769793 971397999 /nfs/dbraw/zinc/39/79/99/971397999.db2.gz ZAZHFFKQTADBOD-UPJWGTAASA-N 2 0 226.364 1.391 20 0 BDADRP C[C@@H]1C[NH2+]CCC[C@H]1OC[C@H]1COC(C)(C)[NH2+]1 ZINC001217782513 971402777 /nfs/dbraw/zinc/40/27/77/971402777.db2.gz VXBQVYGPEJSLGZ-GRYCIOLGSA-N 2 0 242.363 1.116 20 0 BDADRP C[C@@H]1C[NH2+]CCC[C@@H]1OC[C@@H]1COC(C)(C)[NH2+]1 ZINC001217782517 971403393 /nfs/dbraw/zinc/40/33/93/971403393.db2.gz VXBQVYGPEJSLGZ-UTUOFQBUSA-N 2 0 242.363 1.116 20 0 BDADRP C[C@@H]1C[C@@H](OCCCC2CC[NH2+]CC2)CC[NH2+]1 ZINC001217788448 971406753 /nfs/dbraw/zinc/40/67/53/971406753.db2.gz DCIWAYQCXFDPCZ-OCCSQVGLSA-N 2 0 240.391 1.923 20 0 BDADRP C(OC1CC2(C1)CC[NH2+]CC2)[C@@H]1CCC[NH2+]C1 ZINC001217797631 971410542 /nfs/dbraw/zinc/41/05/42/971410542.db2.gz IZSDSCLOIAQZGI-GFCCVEGCSA-N 2 0 238.375 1.535 20 0 BDADRP C(O[C@@H]1CC[C@@H]2CCC[C@H]1[NH2+]2)[C@@H]1CC[NH2+]1 ZINC001217822339 971418646 /nfs/dbraw/zinc/41/86/46/971418646.db2.gz DLUVSLLAIFGGKH-NNYUYHANSA-N 2 0 210.321 1.038 20 0 BDADRP C(OC1CCC2(C[NH2+]C2)CC1)[C@@H]1CCC[NH2+]C1 ZINC001217852484 971444476 /nfs/dbraw/zinc/44/44/76/971444476.db2.gz DMRVWSLYJLCKLH-GFCCVEGCSA-N 2 0 238.375 1.535 20 0 BDADRP C[C@@H]1CC[C@@H](OCc2ccc(C[NH3+])cc2)C[NH2+]1 ZINC001217912535 971511585 /nfs/dbraw/zinc/51/15/85/971511585.db2.gz UYQXECWHOIFSIG-BXUZGUMPSA-N 2 0 234.343 1.802 20 0 BDADRP C(C[C@@H]1CCC[NH2+]C1)O[C@H]1[C@@H]2CC[C@H]1[NH2+]C2 ZINC001217925725 971529143 /nfs/dbraw/zinc/52/91/43/971529143.db2.gz VGVUADLVBATFKZ-LOWDOPEQSA-N 2 0 224.348 1.143 20 0 BDADRP C[NH2+][C@H]1C[C@@H](Oc2ccc([C@@H](C)[NH3+])cc2)C1 ZINC001217959385 971547175 /nfs/dbraw/zinc/54/71/75/971547175.db2.gz VFYASNQOFIVWCO-XWIASGKRSA-N 2 0 220.316 1.836 20 0 BDADRP C[C@@H]([NH3+])c1ccc(O[C@@H]2CCC[NH2+]C2)cc1 ZINC001217965082 971547193 /nfs/dbraw/zinc/54/71/93/971547193.db2.gz KLQYENBSYZDJAT-ZWNOBZJWSA-N 2 0 220.316 1.837 20 0 BDADRP CC(C)C[NH+]1CCC([NH2+][C@H]2CC[C@H](O)C2)CC1 ZINC001258001455 971552822 /nfs/dbraw/zinc/55/28/22/971552822.db2.gz RMDZGLPTTHWRRM-KBPBESRZSA-N 2 0 240.391 1.610 20 0 BDADRP [NH3+]Cc1ccc(O[C@H]2C[NH2+]CCC[C@H]2F)cc1 ZINC001217985747 971560911 /nfs/dbraw/zinc/56/09/11/971560911.db2.gz RHASASKCCUPDPX-OLZOCXBDSA-N 2 0 238.306 1.614 20 0 BDADRP C[C@@H]1C[C@@H](Oc2ccc(CC[NH3+])cc2)C[NH2+]1 ZINC001218037534 971580641 /nfs/dbraw/zinc/58/06/41/971580641.db2.gz OSBAMGXQRSPABW-ZWNOBZJWSA-N 2 0 220.316 1.317 20 0 BDADRP Cc1c(O[C@H]2C[NH2+][C@H](C)C2)ccc2c1CC[NH2+]C2 ZINC001218039257 971583314 /nfs/dbraw/zinc/58/33/14/971583314.db2.gz FGRNXUSXKOENQJ-ZWNOBZJWSA-N 2 0 246.354 1.770 20 0 BDADRP C[C@H]1C[C@@H](Oc2ccc(CC[NH3+])cc2)CC[NH2+]1 ZINC001218051150 971589207 /nfs/dbraw/zinc/58/92/07/971589207.db2.gz UWXIEOBAVLAHMB-FZMZJTMJSA-N 2 0 234.343 1.707 20 0 BDADRP C[C@@H]1C[C@@H](Oc2cccc3c2CC[NH2+]C3)CC[NH2+]1 ZINC001218051144 971589520 /nfs/dbraw/zinc/58/95/20/971589520.db2.gz UWQIAAMODUZKGJ-YPMHNXCESA-N 2 0 246.354 1.852 20 0 BDADRP [NH3+]Cc1cccc(OC2CC3(C[NH2+]C3)C2)c1 ZINC001218057442 971592781 /nfs/dbraw/zinc/59/27/81/971592781.db2.gz GRPOWHMYJZLQCP-UHFFFAOYSA-N 2 0 218.300 1.276 20 0 BDADRP CC1(C)[C@@H]2C[C@H](NC(=[NH2+])SCC[NH3+])C[C@@H]21 ZINC001170720041 971647308 /nfs/dbraw/zinc/64/73/08/971647308.db2.gz HZPHJKBSWJSGGG-AYMMMOKOSA-N 2 0 227.377 1.637 20 0 BDADRP N[C@@H]1CC[N@H+](C[C@@H]2CCCCO2)CC[C@H]1F ZINC001206156939 974332048 /nfs/dbraw/zinc/33/20/48/974332048.db2.gz UOEICFQMQFIJQR-QJPTWQEYSA-N 2 0 230.327 1.317 20 0 BDADRP C[C@@H]1[NH2+]C[C@H]1Oc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC001218388174 971767592 /nfs/dbraw/zinc/76/75/92/971767592.db2.gz SALCZKHLIHJEDT-HWNAMQAFSA-N 2 0 218.300 1.240 20 0 BDADRP C[C@H]1[NH2+]C[C@H]1Oc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC001218388173 971767708 /nfs/dbraw/zinc/76/77/08/971767708.db2.gz SALCZKHLIHJEDT-GHORINQJSA-N 2 0 218.300 1.240 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1Oc1ccc2c(c1)CC[NH2+]C2 ZINC001218412258 971783754 /nfs/dbraw/zinc/78/37/54/971783754.db2.gz BQQOHXCJUPXQSZ-ABAIWWIYSA-N 2 0 246.354 1.709 20 0 BDADRP C[C@H]1C[NH2+]CC[C@@H]1Oc1ccc2c(c1)C[NH2+]C2 ZINC001218416602 971788562 /nfs/dbraw/zinc/78/85/62/971788562.db2.gz UFEZTBGRNUFPTL-HZMBPMFUSA-N 2 0 232.327 1.667 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1Oc1ccc2c(c1)C[NH2+]C2 ZINC001218416605 971788804 /nfs/dbraw/zinc/78/88/04/971788804.db2.gz UFEZTBGRNUFPTL-YGRLFVJLSA-N 2 0 232.327 1.667 20 0 BDADRP C[C@H]1C[NH2+]CC[C@@H]1Oc1cccc2c1CC[NH2+]C2 ZINC001218418664 971795334 /nfs/dbraw/zinc/79/53/34/971795334.db2.gz HGMCEPUILITWPP-FZMZJTMJSA-N 2 0 246.354 1.709 20 0 BDADRP [NH3+]Cc1cccc(O[C@@H]2[C@@H]3CC[C@H]2[NH2+]C3)c1 ZINC001218444509 971822641 /nfs/dbraw/zinc/82/26/41/971822641.db2.gz JLNJEIIQCUCDTM-RAIGVLPGSA-N 2 0 218.300 1.275 20 0 BDADRP c1cc(O[C@@H]2CC[C@H]3C[NH2+]C[C@H]32)cc2c1C[NH2+]C2 ZINC001218463279 971824046 /nfs/dbraw/zinc/82/40/46/971824046.db2.gz ZUZWBTXGNAFUGO-NILFDRSVSA-N 2 0 244.338 1.667 20 0 BDADRP [NH3+]Cc1ccccc1O[C@@H]1CC[C@H]2C[NH2+]C[C@@H]21 ZINC001218462827 971824179 /nfs/dbraw/zinc/82/41/79/971824179.db2.gz XYXUBSMYPPWVFM-SGMGOOAPSA-N 2 0 232.327 1.522 20 0 BDADRP [NH3+]Cc1cccc(O[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]23)c1 ZINC001218467997 971825737 /nfs/dbraw/zinc/82/57/37/971825737.db2.gz QPPYMKKUKGZSAU-MRVWCRGKSA-N 2 0 232.327 1.522 20 0 BDADRP c1cc2c(c(O[C@@H]3C[C@H]4C[NH2+][C@@H]3C4)c1)CC[NH2+]C2 ZINC001218490725 971832689 /nfs/dbraw/zinc/83/26/89/971832689.db2.gz XTTYOVJKTQRAFN-PSOPSSQASA-N 2 0 244.338 1.462 20 0 BDADRP Cc1ccc(F)cc1NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001218809776 971942021 /nfs/dbraw/zinc/94/20/21/971942021.db2.gz QCVHKUYKNFAQOY-JTQLQIEISA-N 2 0 239.294 1.139 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+]([C@H]3CCCOCC3)C2)C1 ZINC001170831588 971949057 /nfs/dbraw/zinc/94/90/57/971949057.db2.gz QLFMUMHWUTXLKM-UONOGXRCSA-N 2 0 238.375 1.583 20 0 BDADRP CC[N@H+](CCC[NH+](C)C)[C@H]1CCCOCC1 ZINC001170833657 971950243 /nfs/dbraw/zinc/95/02/43/971950243.db2.gz JVGJXUZFTHNWPB-ZDUSSCGKSA-N 2 0 228.380 1.829 20 0 BDADRP C=Cc1ccc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])cc1 ZINC001218841729 971953769 /nfs/dbraw/zinc/95/37/69/971953769.db2.gz SKXFTYDNMCRWED-ZDUSSCGKSA-N 2 0 247.342 1.724 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])C(=O)Nc1cccc2cc[nH]c21 ZINC001219110133 971984395 /nfs/dbraw/zinc/98/43/95/971984395.db2.gz MHMKBJLDUZPARB-JTQLQIEISA-N 2 0 246.314 1.173 20 0 BDADRP CC[C@@]([NH3+])(CO)Nc1cc(C)cn2ccnc12 ZINC001170866506 972002177 /nfs/dbraw/zinc/00/21/77/972002177.db2.gz XNSPPXSVRVVQGC-LBPRGKRZSA-N 2 0 234.303 1.112 20 0 BDADRP CC(C)[C@@H](C)NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001219551722 972021611 /nfs/dbraw/zinc/02/16/11/972021611.db2.gz HJSDXMXCLFKSNE-NEPJUHHUSA-N 2 0 243.395 1.206 20 0 BDADRP CCC(CC)CNC(=O)[C@H](CCCC[NH3+])[NH2+]C ZINC001219599697 972042892 /nfs/dbraw/zinc/04/28/92/972042892.db2.gz CTPPQYVTFVSSLO-LBPRGKRZSA-N 2 0 243.395 1.256 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1cnc2cc(F)ccc2n1 ZINC001170893941 972049296 /nfs/dbraw/zinc/04/92/96/972049296.db2.gz DSZCKKURDUUDDS-NSHDSACASA-N 2 0 249.293 1.205 20 0 BDADRP Cc1cc2ncccc2nc1N[C@H]([NH3+])CCC[NH3+] ZINC001170896348 972049362 /nfs/dbraw/zinc/04/93/62/972049362.db2.gz FJIRADDHHVLCGB-LBPRGKRZSA-N 2 0 245.330 1.374 20 0 BDADRP CC(C)c1cnc(N[C@H]([NH3+])CCC[NH3+])nc1 ZINC001170895801 972051820 /nfs/dbraw/zinc/05/18/20/972051820.db2.gz XOMUWGYBFPUQGB-JTQLQIEISA-N 2 0 223.324 1.036 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc(C2([NH3+])CCC2)cc1 ZINC001170901322 972060026 /nfs/dbraw/zinc/06/00/26/972060026.db2.gz ZGBYUPFNTYOBGY-ZDUSSCGKSA-N 3 0 248.374 1.460 20 0 BDADRP Cc1ccc(N[C@H]([NH3+])CCC[NH3+])c2[nH]ccc21 ZINC001170899434 972060682 /nfs/dbraw/zinc/06/06/82/972060682.db2.gz BZDIOWCRJPVKEC-LBPRGKRZSA-N 2 0 232.331 1.912 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1nccc2cc(F)ccc21 ZINC001170899846 972063221 /nfs/dbraw/zinc/06/32/21/972063221.db2.gz YIUCRWYYEYAWRJ-LBPRGKRZSA-N 2 0 248.305 1.810 20 0 BDADRP Cc1ncc2ccc(N[C@@H]([NH3+])CCC[NH3+])cc2n1 ZINC001170900216 972063537 /nfs/dbraw/zinc/06/35/37/972063537.db2.gz JPIHFGDBFWFHKR-CYBMUJFWSA-N 2 0 245.330 1.374 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc(OC2CC2)cc1 ZINC001170899945 972064053 /nfs/dbraw/zinc/06/40/53/972064053.db2.gz GVJWRHGJLLLHNJ-ZDUSSCGKSA-N 2 0 235.331 1.663 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc(-c2nnco2)cc1 ZINC001170900800 972069368 /nfs/dbraw/zinc/06/93/68/972069368.db2.gz YJDKDQKVKLLVFN-NSHDSACASA-N 2 0 247.302 1.172 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ncccc1Cl ZINC001170894571 972070045 /nfs/dbraw/zinc/07/00/45/972070045.db2.gz KYUOVLXAYHQQDU-MRVPVSSYSA-N 2 0 214.700 1.171 20 0 BDADRP Cc1ccnc(C)c1N[C@@H]([NH3+])CCC[NH3+] ZINC001170900720 972071076 /nfs/dbraw/zinc/07/10/76/972071076.db2.gz PDUZRVUPADCGRV-SNVBAGLBSA-N 2 0 208.309 1.134 20 0 BDADRP CC(C)([NH3+])c1ccccc1N[C@H]([NH3+])CCC[NH3+] ZINC001170902901 972071804 /nfs/dbraw/zinc/07/18/04/972071804.db2.gz HEDQCOWDFTWSQI-LBPRGKRZSA-N 3 0 236.363 1.316 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc2cnccc2n1 ZINC001170904343 972076881 /nfs/dbraw/zinc/07/68/81/972076881.db2.gz OKNQKECNWLJVST-LLVKDONJSA-N 2 0 231.303 1.065 20 0 BDADRP COc1cccc(C)c1N[C@H]([NH3+])CCC[NH3+] ZINC001170905717 972077068 /nfs/dbraw/zinc/07/70/68/972077068.db2.gz VFWUEJMEUKJFET-NSHDSACASA-N 2 0 223.320 1.439 20 0 BDADRP CC(C)c1ncc(N[C@H]([NH3+])CCC[NH3+])cn1 ZINC001170904751 972080729 /nfs/dbraw/zinc/08/07/29/972080729.db2.gz OTZOAWJBDHEEHA-JTQLQIEISA-N 2 0 223.324 1.036 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ncnc2cc(F)ccc21 ZINC001159779895 972107693 /nfs/dbraw/zinc/10/76/93/972107693.db2.gz KLORJRLRBNZNDJ-NSHDSACASA-N 2 0 249.293 1.205 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])N[C@H](F)c1ccnc(Cl)c1 ZINC001159784468 972110619 /nfs/dbraw/zinc/11/06/19/972110619.db2.gz JBRDUKWUOSLBHW-ZJUUUORDSA-N 2 0 246.717 1.316 20 0 BDADRP Cc1cc2ccccc2nc1N[C@H]([NH3+])CCC[NH3+] ZINC001159785824 972112130 /nfs/dbraw/zinc/11/21/30/972112130.db2.gz TXTQNOHYLJLXGN-ZDUSSCGKSA-N 2 0 244.342 1.979 20 0 BDADRP CSc1cccnc1N[C@@H]([NH3+])CCC[NH3+] ZINC001159785643 972112425 /nfs/dbraw/zinc/11/24/25/972112425.db2.gz RMIGGMVHCZLHTK-SECBINFHSA-N 2 0 226.349 1.239 20 0 BDADRP CC(C)(C)[C@H](O)C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246019134 972119926 /nfs/dbraw/zinc/11/99/26/972119926.db2.gz CTUUMVTZRJTPFJ-TZMCWYRMSA-N 2 0 242.407 1.844 20 0 BDADRP CC[N@@H+]1CCC[C@H]1CN[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246074403 972128973 /nfs/dbraw/zinc/12/89/73/972128973.db2.gz PFBCWMBQZXFKRQ-AVGNSLFASA-N 2 0 225.380 1.201 20 0 BDADRP C[C@H]([NH3+])c1nccn1[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246079660 972131010 /nfs/dbraw/zinc/13/10/10/972131010.db2.gz DWWCZYGKBPSNRQ-UTLUCORTSA-N 2 0 208.309 1.216 20 0 BDADRP [NH3+][C@H]1Cc2ccc(NC3=CCC[NH2+]C3)cc2C1 ZINC001159831843 972140228 /nfs/dbraw/zinc/14/02/28/972140228.db2.gz ANDZVPBFWPDUPW-LBPRGKRZSA-N 2 0 229.327 1.402 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@H]2C[C@H]3C[C@H]3C2)C[NH2+]1 ZINC001246096453 972152160 /nfs/dbraw/zinc/15/21/60/972152160.db2.gz MQCVRWBFGQHXQQ-FHUSYTEZSA-N 2 0 208.349 1.763 20 0 BDADRP C[C@H]1C[NH2+]C[C@@H](C[NH2+]C2Cc3ccccc3C2)C1 ZINC001246098619 972154377 /nfs/dbraw/zinc/15/43/77/972154377.db2.gz KFZPSMVJMYMXMP-OLZOCXBDSA-N 2 0 244.382 1.989 20 0 BDADRP C[NH2+]CC[C@H](C)[NH2+]C[C@H]1CCC[NH2+]C[C@@H]1C ZINC001246100344 972155744 /nfs/dbraw/zinc/15/57/44/972155744.db2.gz XHRAPKGJKAAHIG-RWMBFGLXSA-N 3 0 227.396 1.210 20 0 BDADRP C[C@@H]1CCNC[C@H]1[NH2+]C1CCC2(C[NH2+]C2)CC1 ZINC001246099899 972157017 /nfs/dbraw/zinc/15/70/17/972157017.db2.gz AMGCHXAMUKPTEF-DGCLKSJQSA-N 2 0 237.391 1.106 20 0 BDADRP C[C@@H]1C[C@H](NC[C@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC001246108914 972171603 /nfs/dbraw/zinc/17/16/03/972171603.db2.gz IWWDLYCBEYDVQU-FRRDWIJNSA-N 2 0 225.380 1.106 20 0 BDADRP COC1CCC([NH2+]C[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC001246116066 972178799 /nfs/dbraw/zinc/17/87/99/972178799.db2.gz UMCWLMFYVXIENT-KBHBFKLGSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@H]1C[C@H]([NH2+]Cc2cccn2C)CC[NH2+]1 ZINC001246107845 972173097 /nfs/dbraw/zinc/17/30/97/972173097.db2.gz AQQRXVDPAWUTJP-WDEREUQCSA-N 2 0 207.321 1.255 20 0 BDADRP COC1CCC([NH2+]C[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC001246109012 972173476 /nfs/dbraw/zinc/17/34/76/972173476.db2.gz IYMWEWCCQFKMTC-KBHBFKLGSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+][C@H]2C)CCO1 ZINC001246108985 972173709 /nfs/dbraw/zinc/17/37/09/972173709.db2.gz IYKJCQZMVROWDN-YVECIDJPSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@@H]1CCc2cccc(F)c2C1 ZINC001170968337 972182301 /nfs/dbraw/zinc/18/23/01/972182301.db2.gz DLHFOHMKCFZULX-CMPLNLGQSA-N 2 0 236.334 1.867 20 0 BDADRP CC(C)[C@@H]1C[C@H](N[C@@H]2C[NH2+]CC23CC3)CC[NH2+]1 ZINC001246134050 972191517 /nfs/dbraw/zinc/19/15/17/972191517.db2.gz OUYSINPDVKRNIL-FRRDWIJNSA-N 2 0 237.391 1.105 20 0 BDADRP CC[C@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+]2)CCO1 ZINC001246186122 972209429 /nfs/dbraw/zinc/20/94/29/972209429.db2.gz FDAYLNHVRKYWND-UTUOFQBUSA-N 2 0 212.337 1.286 20 0 BDADRP CC(C)[C@H]1C[C@H](NC[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC001246194506 972211385 /nfs/dbraw/zinc/21/13/85/972211385.db2.gz MZJHRPDVJAFKDA-FRRDWIJNSA-N 2 0 225.380 1.105 20 0 BDADRP CCOC(=O)CCCC[NH2+]C1CC[NH2+]CC1 ZINC001246188279 972212541 /nfs/dbraw/zinc/21/25/41/972212541.db2.gz RTIAESPLOOZDEK-UHFFFAOYSA-N 2 0 228.336 1.061 20 0 BDADRP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2C(=O)[C@@H](C)[NH3+] ZINC001220384487 972218797 /nfs/dbraw/zinc/21/87/97/972218797.db2.gz VVQHPMDFYGSWMH-PWSUYJOCSA-N 2 0 247.342 1.469 20 0 BDADRP CCOCC[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC001172406006 974660020 /nfs/dbraw/zinc/66/00/20/974660020.db2.gz FJEUOHHXVKWKTB-SDDRHHMPSA-N 2 0 214.353 1.661 20 0 BDADRP C[C@@H]1CC[C@H](N(C)C2CCC([NH3+])CC2)C[NH2+]1 ZINC001246231821 972238252 /nfs/dbraw/zinc/23/82/52/972238252.db2.gz HJZCSSDMJKUFFH-XVSSEFHLSA-N 2 0 225.380 1.329 20 0 BDADRP CCCO[C@@H]1CC[N@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208606174 957090302 /nfs/dbraw/zinc/09/03/02/957090302.db2.gz DHWJTZYDZJJNHZ-ZIAGYGMSSA-N 2 0 240.391 1.829 20 0 BDADRP C[NH+]1CCN(C[C@H]2CCC[N@@H+](C)C2)CC1(C)C ZINC001208614981 957108641 /nfs/dbraw/zinc/10/86/41/957108641.db2.gz GJMSPUQLBIYRGY-ZDUSSCGKSA-N 2 0 239.407 1.354 20 0 BDADRP C(C[C@@H]1CCCC[NH2+]1)N[C@@H]1CCCC[NH2+]C1 ZINC001246242859 972246553 /nfs/dbraw/zinc/24/65/53/972246553.db2.gz HKXLJFXSKDOGKT-QWHCGFSZSA-N 2 0 225.380 1.250 20 0 BDADRP CC[NH2+]CCN[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246274034 972252865 /nfs/dbraw/zinc/25/28/65/972252865.db2.gz UQMDRDPWPJNKDL-NWDGAFQWSA-N 2 0 227.396 1.352 20 0 BDADRP CC1(C)CCC[C@H]1[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246283407 972255249 /nfs/dbraw/zinc/25/52/49/972255249.db2.gz BPKLBBXMULEHCN-NWDGAFQWSA-N 2 0 237.391 1.249 20 0 BDADRP C[C@H]1C[C@@H]1C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001209426966 957450513 /nfs/dbraw/zinc/45/05/13/957450513.db2.gz HAIBRSPHLRUTQB-NWDGAFQWSA-N 2 0 208.349 1.670 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC001220857659 972267799 /nfs/dbraw/zinc/26/77/99/972267799.db2.gz MELNFYKRLHHZNV-QWRGUYRKSA-N 2 0 243.395 1.240 20 0 BDADRP C[C@@H]1C[C@@H](n2cc3ccc(C[NH3+])cc3n2)CC[NH2+]1 ZINC001246321221 972279847 /nfs/dbraw/zinc/27/98/47/972279847.db2.gz AWJSNFAPENGSTP-MFKMUULPSA-N 2 0 244.342 1.808 20 0 BDADRP C[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246330627 972292902 /nfs/dbraw/zinc/29/29/02/972292902.db2.gz DIJOUAQZBCIRTM-YNEHKIRRSA-N 2 0 237.391 1.249 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CCCNC1)CC(C)(C)CC[NH3+] ZINC001246339198 972298800 /nfs/dbraw/zinc/29/88/00/972298800.db2.gz OWIYIPMNNSUCGQ-QWHCGFSZSA-N 2 0 241.423 1.729 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246332451 972294792 /nfs/dbraw/zinc/29/47/92/972294792.db2.gz MEURBARZADFRCS-XQQFMLRXSA-N 2 0 241.423 1.726 20 0 BDADRP C[C@H]1CC[C@@H]([NH2+]C2CCC(CC[NH3+])CC2)CN1 ZINC001246332160 972295881 /nfs/dbraw/zinc/29/58/81/972295881.db2.gz DZRVUPKGFJMNHB-GFJIZPEISA-N 2 0 239.407 1.624 20 0 BDADRP CC(C)[PH+](CCNC(=O)[C@@H]1CC[NH2+]1)C(C)C ZINC001221254629 972305302 /nfs/dbraw/zinc/30/53/02/972305302.db2.gz RPMRWVCGSBGRCP-NSHDSACASA-N 2 0 244.319 1.763 20 0 BDADRP Cc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC13C[NH2+]C3)CC2 ZINC001246445462 972313782 /nfs/dbraw/zinc/31/37/82/972313782.db2.gz OHLLIHQZAFXKRY-HUUCEWRRSA-N 2 0 242.366 1.804 20 0 BDADRP Cc1cccc2c1CC[C@H]([NH2+][C@@H]1CC13C[NH2+]C3)C2 ZINC001246443094 972315161 /nfs/dbraw/zinc/31/51/61/972315161.db2.gz FTAWLQSUEJKCQT-DZGCQCFKSA-N 2 0 242.366 1.804 20 0 BDADRP CCCC(C[NH3+])(CCC)NC(=O)C(C)(C)[NH2+]C ZINC001221373810 972332087 /nfs/dbraw/zinc/33/20/87/972332087.db2.gz OLKWQVPHCVGGRO-UHFFFAOYSA-N 2 0 243.395 1.398 20 0 BDADRP C[C@H]1C[C@H](NC[C@]2(CC3CC3)CCC[NH2+]2)C[NH2+]1 ZINC001246463447 972335285 /nfs/dbraw/zinc/33/52/85/972335285.db2.gz VTQHNRGNEXDCAB-FPMFFAJLSA-N 2 0 237.391 1.249 20 0 BDADRP CC(C)N(C(=O)[C@@H]1CCCC[NH2+]1)C(C)(C)C[NH3+] ZINC001221395065 972337222 /nfs/dbraw/zinc/33/72/22/972337222.db2.gz ZMNBJGJCFZESOE-NSHDSACASA-N 2 0 241.379 1.103 20 0 BDADRP C[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H]([NH+](C)C)CC2)CN1 ZINC001246461470 972338130 /nfs/dbraw/zinc/33/81/30/972338130.db2.gz JMBXTSXPNYXUMW-IGQOVBAYSA-N 2 0 239.407 1.589 20 0 BDADRP CC1CC[NH+](CCN[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000399004417 958482018 /nfs/dbraw/zinc/48/20/18/958482018.db2.gz WCPNRRKYOVUOTC-ZIAGYGMSSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CCC2CC[NH+](C)CC2)CN1 ZINC000399005461 958486822 /nfs/dbraw/zinc/48/68/22/958486822.db2.gz XMDMTBXMPKCQHN-TZMCWYRMSA-N 2 0 239.407 1.448 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](N[C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000399037716 958492022 /nfs/dbraw/zinc/49/20/22/958492022.db2.gz OXZCZHLZYHMZTH-UPJWGTAASA-N 2 0 225.380 1.199 20 0 BDADRP C[C@@H]1CC[C@@H](N[C@@H]2COC(C)(C)C2)C[NH2+]1 ZINC000399112540 958518533 /nfs/dbraw/zinc/51/85/33/958518533.db2.gz ZMPWAWILOIIOJC-MXWKQRLJSA-N 2 0 212.337 1.284 20 0 BDADRP CC(C)(C)CC[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222080013 972363204 /nfs/dbraw/zinc/36/32/04/972363204.db2.gz IHQBLCQRQGAACP-UHFFFAOYSA-N 2 0 239.407 1.450 20 0 BDADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH+]1C2CCC1CC2 ZINC000399317976 958635708 /nfs/dbraw/zinc/63/57/08/958635708.db2.gz XGWIKVGPGYEKCD-HTAVTVPLSA-N 2 0 226.364 1.362 20 0 BDADRP CC(C)C[C@@H](C[NH3+])N[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246504739 972365693 /nfs/dbraw/zinc/36/56/93/972365693.db2.gz SFPFZBIENINREH-UTUOFQBUSA-N 2 0 213.369 1.090 20 0 BDADRP CC(C)[NH2+]CCN(C)C(=O)CCCC[NH+](C)C ZINC001266992247 958711044 /nfs/dbraw/zinc/71/10/44/958711044.db2.gz CYJYPPDRSMBDPH-UHFFFAOYSA-N 2 0 243.395 1.175 20 0 BDADRP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@H](O)C1 ZINC001207274992 958843558 /nfs/dbraw/zinc/84/35/58/958843558.db2.gz ICQJOTDMWYUHAT-NSHDSACASA-N 2 0 214.353 1.031 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC001327059685 972384460 /nfs/dbraw/zinc/38/44/60/972384460.db2.gz NHHWBZLKCONLEI-IJLUTSLNSA-N 2 0 241.379 1.138 20 0 BDADRP CCO[C@@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000693586061 958889890 /nfs/dbraw/zinc/88/98/90/958889890.db2.gz QMALMIVMBUVJEX-GRYCIOLGSA-N 2 0 212.337 1.225 20 0 BDADRP [NH3+]Cc1cccn1-c1c[nH+]cc2cc[nH]c21 ZINC001167593612 958994903 /nfs/dbraw/zinc/99/49/03/958994903.db2.gz VTMWXQRDBLBIOQ-UHFFFAOYSA-N 2 0 212.256 1.812 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)CO1 ZINC000693617859 959009973 /nfs/dbraw/zinc/00/99/73/959009973.db2.gz UMSPVSTWVOZOLF-NNYUYHANSA-N 2 0 212.337 1.223 20 0 BDADRP CC[NH2+]CCN1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222259115 972427135 /nfs/dbraw/zinc/42/71/35/972427135.db2.gz KNQCKECFLBECCE-ZDUSSCGKSA-N 2 0 225.380 1.062 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405211204 959418266 /nfs/dbraw/zinc/41/82/66/959418266.db2.gz IDSMPQDMWRXEOQ-FRRDWIJNSA-N 2 0 237.391 1.330 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2CCCSC2)C12CCC2 ZINC000405259220 959422412 /nfs/dbraw/zinc/42/24/12/959422412.db2.gz NSSACFTUSHPIIU-UTUOFQBUSA-N 2 0 240.416 1.989 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222265312 972431441 /nfs/dbraw/zinc/43/14/41/972431441.db2.gz RAZJWCALNOALGM-CYBMUJFWSA-N 3 0 225.380 1.191 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CO[C@@H](C)[C@H]1C ZINC000405575471 959465218 /nfs/dbraw/zinc/46/52/18/959465218.db2.gz HSBBEYZGYDJXGP-WISYIIOYSA-N 2 0 214.353 1.340 20 0 BDADRP CC[C@H]([NH3+])CN1CCC[C@@]12CCC[NH2+]CC2 ZINC001222309176 972437993 /nfs/dbraw/zinc/43/79/93/972437993.db2.gz MSWJNEPKUMLLJV-QWHCGFSZSA-N 2 0 225.380 1.332 20 0 BDADRP C([C@H]1CCCC[NH2+]1)N1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222344682 972440288 /nfs/dbraw/zinc/44/02/88/972440288.db2.gz CDJAKKDLALRDKH-KGLIPLIRSA-N 2 0 237.391 1.347 20 0 BDADRP F[C@@H]1CCC[NH2+]C[C@@H]1OCCC1CC[NH2+]CC1 ZINC001217776057 959586373 /nfs/dbraw/zinc/58/63/73/959586373.db2.gz XUYGECJKALDMLU-OLZOCXBDSA-N 2 0 244.354 1.483 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2CC(F)(F)C2)CC[NH2+]1 ZINC000709329909 959601788 /nfs/dbraw/zinc/60/17/88/959601788.db2.gz JJHJJQYAOOMECO-PSASIEDQSA-N 2 0 218.291 1.762 20 0 BDADRP CC[NH2+]CCN1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385793 972450850 /nfs/dbraw/zinc/45/08/50/972450850.db2.gz XARTYDBKOZLYND-ZDUSSCGKSA-N 2 0 225.380 1.204 20 0 BDADRP COC1(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)CCCC1 ZINC000692478731 959749208 /nfs/dbraw/zinc/74/92/08/959749208.db2.gz LLIBOXXPLVYVFP-STQMWFEESA-N 2 0 240.391 1.862 20 0 BDADRP c1cc2c(c(O[C@@H]3CCCC[NH2+]C3)c1)CC[NH2+]C2 ZINC001217971687 959806232 /nfs/dbraw/zinc/80/62/32/959806232.db2.gz OAEODWNEFSGJCC-CYBMUJFWSA-N 2 0 246.354 1.853 20 0 BDADRP C[C@@H]1C[C@H](Oc2ccc3c(c2)C[NH2+]C3)CC[NH2+]1 ZINC001218058752 959852294 /nfs/dbraw/zinc/85/22/94/959852294.db2.gz YXZXJTQZFQTUCQ-QMTHXVAHSA-N 2 0 232.327 1.809 20 0 BDADRP C[C@H]1C[N@H+](CCC(F)(F)F)C[C@H]1C[NH3+] ZINC000708827448 959856789 /nfs/dbraw/zinc/85/67/89/959856789.db2.gz WSUXJBTURAZISO-JGVFFNPUSA-N 2 0 210.243 1.465 20 0 BDADRP C[C@]1([NH3+])CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC001246532657 972468674 /nfs/dbraw/zinc/46/86/74/972468674.db2.gz XRONGCLOHDPSBZ-RNJOBUHISA-N 2 0 223.364 1.083 20 0 BDADRP Cc1cnc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)nc1 ZINC000692495223 960030644 /nfs/dbraw/zinc/03/06/44/960030644.db2.gz WWDYLDBNQOCSHZ-LBPRGKRZSA-N 2 0 234.347 1.346 20 0 BDADRP C[C@H]1CC[C@@H](Oc2cccc3c2C[NH2+]C3)C[NH2+]1 ZINC001218402820 960064286 /nfs/dbraw/zinc/06/42/86/960064286.db2.gz WJYAWNIBEDHEHH-CMPLNLGQSA-N 2 0 232.327 1.809 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001207436828 960089549 /nfs/dbraw/zinc/08/95/49/960089549.db2.gz RRJMSXAQPGNZFT-KBPBESRZSA-N 2 0 238.375 1.487 20 0 BDADRP OC[C@@]1(F)CCC[N@H+](CC2CC[NH2+]CC2)CC1 ZINC001207436824 960091487 /nfs/dbraw/zinc/09/14/87/960091487.db2.gz RGAPVPFXUBXIGA-CYBMUJFWSA-N 2 0 244.354 1.173 20 0 BDADRP c1cc([C@@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)ccn1 ZINC001207437694 960092419 /nfs/dbraw/zinc/09/24/19/960092419.db2.gz OWULKUBEORTWAO-OAHLLOKOSA-N 2 0 245.370 1.871 20 0 BDADRP COCC1([NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925603501 960437321 /nfs/dbraw/zinc/43/73/21/960437321.db2.gz NQWPUYHMGKSGHV-QWRGUYRKSA-N 2 0 226.364 1.661 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222237993 960498138 /nfs/dbraw/zinc/49/81/38/960498138.db2.gz XZYZCDOVRRVCBZ-AWEZNQCLSA-N 3 0 239.407 1.724 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@H]1COC(C)(C)O1 ZINC000695837495 960498293 /nfs/dbraw/zinc/49/82/93/960498293.db2.gz YCGGAXRBIBHUFB-MNOVXSKESA-N 2 0 230.352 1.068 20 0 BDADRP C[C@@]1(O)CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000709473741 960620521 /nfs/dbraw/zinc/62/05/21/960620521.db2.gz GCPIQJQQTLAZIQ-QNMSZWNNSA-N 2 0 238.375 1.506 20 0 BDADRP C[C@@H]([NH3+])[C@@H](NCC1([NH3+])CCC1)c1ccccc1 ZINC000925701053 960691031 /nfs/dbraw/zinc/69/10/31/960691031.db2.gz ZELXTGQBHSPGLF-DGCLKSJQSA-N 2 0 233.359 1.546 20 0 BDADRP CC[N@@H+]1CC[C@@H](OC2CC[NH+](C)CC2)C1 ZINC001222504347 972529192 /nfs/dbraw/zinc/52/91/92/972529192.db2.gz RIFOEHWBQGPHKH-GFCCVEGCSA-N 2 0 212.337 1.191 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC2SCCS2)CC[N@@H+]1C ZINC000692903991 961210750 /nfs/dbraw/zinc/21/07/50/961210750.db2.gz HKTWVIVLDSJLIG-VHSXEESVSA-N 2 0 246.445 1.865 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCO[C@H]2C[C@H]21 ZINC001167842004 961236828 /nfs/dbraw/zinc/23/68/28/961236828.db2.gz VOZAQIDBUKJKCB-MJBXVCDLSA-N 2 0 240.391 1.970 20 0 BDADRP [NH3+][C@@H]1CCC[N@@H+]([C@H]2CCCSC2)CC1 ZINC000725661331 961385212 /nfs/dbraw/zinc/38/52/12/961385212.db2.gz MJYXLKQMIYFGTB-MNOVXSKESA-N 2 0 214.378 1.695 20 0 BDADRP [NH2+]=CNc1ccccc1C(=O)NC1CC[NH2+]CC1 ZINC001167868070 961353233 /nfs/dbraw/zinc/35/32/33/961353233.db2.gz QBOUTQHWQFBFPA-UHFFFAOYSA-N 2 0 246.314 1.187 20 0 BDADRP CC[C@@]1(O)CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000893719222 961726124 /nfs/dbraw/zinc/72/61/24/961726124.db2.gz JQTGVOSLFYXLAD-CYBMUJFWSA-N 2 0 226.364 1.175 20 0 BDADRP Nc1cccc(NC(=[NH2+])SCC[NH3+])c1 ZINC001167912117 961819653 /nfs/dbraw/zinc/81/96/53/961819653.db2.gz KXUWTBXAMGZGAE-UHFFFAOYSA-N 2 0 210.306 1.307 20 0 BDADRP CCc1cc(NC(=N)SCC[NH3+])cc[nH+]1 ZINC001167915026 961839690 /nfs/dbraw/zinc/83/96/90/961839690.db2.gz DKKNSBGXYOTEBP-UHFFFAOYSA-N 2 0 224.333 1.104 20 0 BDADRP Cc1cc(C)[nH+]c(N2CC3(C2)CCC[NH2+]C3)c1 ZINC000709954716 961945115 /nfs/dbraw/zinc/94/51/15/961945115.db2.gz SUYRELNYJZBTRA-UHFFFAOYSA-N 2 0 231.343 1.888 20 0 BDADRP CN1CCC([N@H+](C)[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167923741 961990626 /nfs/dbraw/zinc/99/06/26/961990626.db2.gz IOGAZRZTUHSMFX-PTEHBNRSSA-N 2 0 208.349 1.811 20 0 BDADRP Nc1ncccc1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206632907 962149581 /nfs/dbraw/zinc/14/95/81/962149581.db2.gz QQWLENKAAFLSKR-NSHDSACASA-N 2 0 234.347 1.225 20 0 BDADRP CCCC[NH2+]C[C@@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001268661949 962258686 /nfs/dbraw/zinc/25/86/86/962258686.db2.gz QEIQAEOBUTUDLV-NEPJUHHUSA-N 2 0 243.395 1.221 20 0 BDADRP C[C@@H]1C[C@H](NCC[C@H]2CCC[N@@H+]2C)CC[NH2+]1 ZINC000710408531 962382690 /nfs/dbraw/zinc/38/26/90/962382690.db2.gz FEKHPZJSEBVIAY-JHJVBQTASA-N 2 0 225.380 1.201 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](CNc2cc(N)ncn2)C1 ZINC000132274588 962398013 /nfs/dbraw/zinc/39/80/13/962398013.db2.gz QDCYATLUZJYPPC-JTQLQIEISA-N 2 0 235.335 1.201 20 0 BDADRP Cc1n[nH]c(C)c1C[N@H+](C)CCCCCC[NH3+] ZINC000710782050 962474467 /nfs/dbraw/zinc/47/44/67/962474467.db2.gz ROKNLVKMWXICKC-UHFFFAOYSA-N 2 0 238.379 1.977 20 0 BDADRP C[N@@H+](Cc1ccc(O)cn1)CC1CC[NH+](C)CC1 ZINC000134001036 962715735 /nfs/dbraw/zinc/71/57/35/962715735.db2.gz MRFDVNRZKJSGHV-UHFFFAOYSA-N 2 0 249.358 1.561 20 0 BDADRP c1cc(N[C@@]23CCC[C@@H]2[NH2+]CC3)cc[nH+]1 ZINC000711631910 962739480 /nfs/dbraw/zinc/73/94/80/962739480.db2.gz VAVOTLALILKKHQ-NWDGAFQWSA-N 2 0 203.289 1.200 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+]([C@@H]3C[C@H]4C[C@H]4C3)C2)C1 ZINC001167958066 962823940 /nfs/dbraw/zinc/82/39/40/962823940.db2.gz YBGMZLTWVMRVRJ-XJFOESAGSA-N 2 0 220.360 1.813 20 0 BDADRP COCC[N@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000688048908 962842374 /nfs/dbraw/zinc/84/23/74/962842374.db2.gz NMTBLCIVVGMYGP-UHFFFAOYSA-N 2 0 240.372 1.472 20 0 BDADRP C[C@@H]1C[NH2+]CCC[C@H]1CNc1cc[nH+]c(N)n1 ZINC001155033052 962946952 /nfs/dbraw/zinc/94/69/52/962946952.db2.gz RHYNFHNXGMZPLN-ZJUUUORDSA-N 2 0 235.335 1.106 20 0 BDADRP C[C@@H]1C[C@@H](CNc2ccc3c([nH+]2)CCC3)C[NH2+]1 ZINC001155101097 962975332 /nfs/dbraw/zinc/97/53/32/962975332.db2.gz JJQVHRWKPIKGJY-GHMZBOCLSA-N 2 0 231.343 1.980 20 0 BDADRP [NH2+]=CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167965789 963009547 /nfs/dbraw/zinc/00/95/47/963009547.db2.gz MYXHMTVNOQNUIZ-YOGCLGLASA-N 2 0 207.321 1.588 20 0 BDADRP Cc1cnc(N[C@@H]2CC[NH2+][C@@H]2C)c(C[NH3+])c1 ZINC001155187797 963011160 /nfs/dbraw/zinc/01/11/60/963011160.db2.gz HJSPQWVJPUMFQO-MWLCHTKSSA-N 2 0 220.320 1.011 20 0 BDADRP CN(C)c1cc[nH+]c(N[C@H]2C[NH+]3CCC2CC3)c1 ZINC001155668391 963153950 /nfs/dbraw/zinc/15/39/50/963153950.db2.gz VSUPOWVRWYLUGR-ZDUSSCGKSA-N 2 0 246.358 1.654 20 0 BDADRP C[C@H](C[NH+](C)C)Nc1cc2[nH]ccc2c[nH+]1 ZINC001155913746 963202079 /nfs/dbraw/zinc/20/20/79/963202079.db2.gz CRGUKERRLPDEHE-SECBINFHSA-N 2 0 218.304 1.925 20 0 BDADRP Cc1cnc(N(C)C2CC[NH2+]CC2)c(C[NH3+])c1 ZINC001156175509 963272636 /nfs/dbraw/zinc/27/26/36/963272636.db2.gz GXXXCWFSZNSOFX-UHFFFAOYSA-N 2 0 234.347 1.037 20 0 BDADRP CN(C)c1cc[nH+]c(N(C)[C@]2(C)CCC[NH2+]C2)c1 ZINC001156968443 963502342 /nfs/dbraw/zinc/50/23/42/963502342.db2.gz SKFMGVXRSIDSJR-CQSZACIVSA-N 2 0 248.374 1.726 20 0 BDADRP CC(C)[N@H+](C)[C@H]1CCN(c2cc(N)cc[nH+]2)C1 ZINC001157001193 963510925 /nfs/dbraw/zinc/51/09/25/963510925.db2.gz KHTPQXGDJDIJGT-LBPRGKRZSA-N 2 0 234.347 1.583 20 0 BDADRP Cc1cc(F)cnc1NC(=[NH2+])NCCCC[NH3+] ZINC001157094449 963532448 /nfs/dbraw/zinc/53/24/48/963532448.db2.gz PTTVZKITIISBQT-UHFFFAOYSA-N 2 0 239.298 1.204 20 0 BDADRP C[N@@H+]1CCC[C@H]2CN(c3cc(N)cc[nH+]3)C[C@H]21 ZINC001157262350 963565479 /nfs/dbraw/zinc/56/54/79/963565479.db2.gz VHFZGEKNQSZMLU-CMPLNLGQSA-N 2 0 232.331 1.194 20 0 BDADRP Cc1c[nH+]c(N2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)cc1N ZINC001157272123 963566387 /nfs/dbraw/zinc/56/63/87/963566387.db2.gz LAMFQBBSMDDHFZ-WCQYABFASA-N 2 0 246.358 1.503 20 0 BDADRP [NH3+][C@H]1CCC[N@@H+]([C@@H]2CCSC2)CC1 ZINC000725613766 963588727 /nfs/dbraw/zinc/58/87/27/963588727.db2.gz KCMZRXPOSZPQFR-VHSXEESVSA-N 2 0 200.351 1.305 20 0 BDADRP Cc1nc(N(C)C)cc(NC2(C)CC[NH2+]CC2)[nH+]1 ZINC001157397972 963598824 /nfs/dbraw/zinc/59/88/24/963598824.db2.gz ZZYYJEFYJAENBK-UHFFFAOYSA-N 2 0 249.362 1.405 20 0 BDADRP CC[C@H]([NH3+])CNC(=O)[C@@H]([NH3+])C1CCCCCC1 ZINC001357473946 963670305 /nfs/dbraw/zinc/67/03/05/963670305.db2.gz JNWJOZQUQGEOTL-RYUDHWBXSA-N 2 0 241.379 1.138 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH3+])CCO1 ZINC001168090166 963679678 /nfs/dbraw/zinc/67/96/78/963679678.db2.gz BFWMPMUNXKSAAL-FZMZJTMJSA-N 2 0 234.343 1.802 20 0 BDADRP Cc1[nH+]c(N2CC[C@@](F)(C[NH3+])C2)cc2[nH]ccc21 ZINC001157818616 963736864 /nfs/dbraw/zinc/73/68/64/963736864.db2.gz UGVFTUQEWCRRIR-CYBMUJFWSA-N 2 0 248.305 1.748 20 0 BDADRP C[C@H]1C[C@@H]([N@H+](C)CCC[NH+]2CCCC2)CCO1 ZINC001168127511 963802217 /nfs/dbraw/zinc/80/22/17/963802217.db2.gz FWBSCAWGECHEJH-KBPBESRZSA-N 2 0 240.391 1.972 20 0 BDADRP C[C@@H]1C[C@H]([NH+]2CCC3(C[NH+](C)C3)CC2)CCO1 ZINC001168135920 963831665 /nfs/dbraw/zinc/83/16/65/963831665.db2.gz HYKLVLUXKRKXJD-CHWSQXEVSA-N 2 0 238.375 1.582 20 0 BDADRP CN(C)c1cccc(N2CCC[C@](C)(C[NH3+])C2)[nH+]1 ZINC001158675325 963900177 /nfs/dbraw/zinc/90/01/77/963900177.db2.gz LJVBMYCIMVSYRX-CQSZACIVSA-N 2 0 248.374 1.713 20 0 BDADRP C[NH+](C)CCC(C)(C)Nc1cccc(N)[nH+]1 ZINC001158756861 963917396 /nfs/dbraw/zinc/91/73/96/963917396.db2.gz FLFNQVGNLXCZRV-UHFFFAOYSA-N 2 0 222.336 1.806 20 0 BDADRP CN(C)c1cc[nH+]c(N2CC[NH2+]C3(CC3)C2)c1 ZINC001158936507 963962666 /nfs/dbraw/zinc/96/26/66/963962666.db2.gz GXUABGANMOFASF-UHFFFAOYSA-N 2 0 232.331 1.090 20 0 BDADRP c1c(NC2=C[NH2+]CCC2)onc1[C@H]1CCC[NH2+]1 ZINC001159308727 964055793 /nfs/dbraw/zinc/05/57/93/964055793.db2.gz MGDZEVRHCYXLIR-SNVBAGLBSA-N 2 0 234.303 1.736 20 0 BDADRP [NH3+]Cc1ccc(NC2=C[NH2+]CCC2)cc1 ZINC001159483775 964094799 /nfs/dbraw/zinc/09/47/99/964094799.db2.gz DOFSFBPSMJHUBM-UHFFFAOYSA-N 2 0 203.289 1.782 20 0 BDADRP c1cc2c(cc1NC1=C[NH2+]CCC1)CC[NH2+]C2 ZINC001159604255 964130095 /nfs/dbraw/zinc/13/00/95/964130095.db2.gz VOGHGSDCFBIWNQ-UHFFFAOYSA-N 2 0 229.327 1.969 20 0 BDADRP Cc1ccc2nc(N[C@@H]([NH3+])CCC[NH3+])ccc2c1 ZINC001159778887 964190316 /nfs/dbraw/zinc/19/03/16/964190316.db2.gz BLAMUESEAVEIDB-CYBMUJFWSA-N 2 0 244.342 1.979 20 0 BDADRP Cc1cccc2c1ccnc2N[C@H]([NH3+])CCC[NH3+] ZINC001159785356 964193608 /nfs/dbraw/zinc/19/36/08/964193608.db2.gz PMCYLODUUFMZLO-ZDUSSCGKSA-N 2 0 244.342 1.979 20 0 BDADRP Cc1cc(N[C@@H]([NH3+])CCC[NH3+])ncc1Cl ZINC001159785299 964194171 /nfs/dbraw/zinc/19/41/71/964194171.db2.gz OJBIDIGZKNBEQG-SECBINFHSA-N 2 0 228.727 1.479 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ncc(F)cc1Cl ZINC001159785757 964194798 /nfs/dbraw/zinc/19/47/98/964194798.db2.gz SLKBRYQPJAHMLY-QMMMGPOBSA-N 2 0 232.690 1.310 20 0 BDADRP Cc1cc(Cl)c(C)c(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001159783525 964196597 /nfs/dbraw/zinc/19/65/97/964196597.db2.gz DIRVBZMAMNDCHC-JTQLQIEISA-N 2 0 242.754 1.787 20 0 BDADRP CCc1cc2c(ccnc2N[C@@H]([NH3+])CCC[NH3+])o1 ZINC001159788513 964201415 /nfs/dbraw/zinc/20/14/15/964201415.db2.gz JSEWKPPVRPOJHC-GFCCVEGCSA-N 2 0 248.330 1.826 20 0 BDADRP Cc1nc(N[C@H]([NH3+])CCC[NH3+])nc(C)c1Cl ZINC001159786737 964201436 /nfs/dbraw/zinc/20/14/36/964201436.db2.gz IUJLMHFKZIRNMS-QMMMGPOBSA-N 2 0 243.742 1.182 20 0 BDADRP CCSc1cncc(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001159787860 964203520 /nfs/dbraw/zinc/20/35/20/964203520.db2.gz CCKQEODGXNLMFZ-QMMMGPOBSA-N 2 0 241.364 1.024 20 0 BDADRP [NH3+][C@@H]1Cc2ccc(NC3=CCC[NH2+]C3)cc2C1 ZINC001159831841 964210478 /nfs/dbraw/zinc/21/04/78/964210478.db2.gz ANDZVPBFWPDUPW-GFCCVEGCSA-N 2 0 229.327 1.402 20 0 BDADRP CCC[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001160434604 964304240 /nfs/dbraw/zinc/30/42/40/964304240.db2.gz SPUXMRDERBACBG-LBPRGKRZSA-N 2 0 243.395 1.079 20 0 BDADRP C[C@@H]([NH3+])c1nccn1C1CCC([NH+](C)C)CC1 ZINC001168290369 964384372 /nfs/dbraw/zinc/38/43/72/964384372.db2.gz IIUKRIYRKRMSJK-VOMCLLRMSA-N 2 0 236.363 1.948 20 0 BDADRP C[NH+](C)C1CCC(n2ccnc2CC[NH3+])CC1 ZINC001168297763 964391429 /nfs/dbraw/zinc/39/14/29/964391429.db2.gz JZEWILGOMJGZIA-UHFFFAOYSA-N 2 0 236.363 1.430 20 0 BDADRP C[NH+](C)C1CCC([NH2+]C[C@H]2C[C@@](C)(O)C2)CC1 ZINC001168298158 964391843 /nfs/dbraw/zinc/39/18/43/964391843.db2.gz BJNACUAOGQEQKG-AJNFDDFZSA-N 2 0 240.391 1.610 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@@H]2COC[C@@H]2F)CC1 ZINC001168311863 964412011 /nfs/dbraw/zinc/41/20/11/964412011.db2.gz CSAPSODWHMFMEB-MMVSWEMESA-N 2 0 230.327 1.186 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2CCC[C@H](O)C2)CC1 ZINC001168314640 964419674 /nfs/dbraw/zinc/41/96/74/964419674.db2.gz NZCPYPXQXNGVMM-BPCQOVAHSA-N 2 0 226.364 1.316 20 0 BDADRP C[C@H]1C[C@@H](CO)[N@@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168315274 964424612 /nfs/dbraw/zinc/42/46/12/964424612.db2.gz TXXBZXKGJLLIPO-ABXWRUBCSA-N 2 0 240.391 1.562 20 0 BDADRP CO[C@@H]1CCC[N@@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168315961 964435990 /nfs/dbraw/zinc/43/59/90/964435990.db2.gz SOEIAFQPPMZHGW-JXQTWKCFSA-N 2 0 240.391 1.970 20 0 BDADRP C[NH+](C)C1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001168315914 964436915 /nfs/dbraw/zinc/43/69/15/964436915.db2.gz QTNBCDFGVIMRJL-UHFFFAOYSA-N 2 0 240.391 1.970 20 0 BDADRP Nc1cccc(NCc2ccccc2C[NH3+])[nH+]1 ZINC001160906374 964439820 /nfs/dbraw/zinc/43/98/20/964439820.db2.gz WABJBNOJXLZRJL-UHFFFAOYSA-N 2 0 228.299 1.735 20 0 BDADRP C[NH+](C)C1CCC([NH+]2CCC(CO)CC2)CC1 ZINC001168319731 964440298 /nfs/dbraw/zinc/44/02/98/964440298.db2.gz WZGYPYUWZPOTGK-UHFFFAOYSA-N 2 0 240.391 1.564 20 0 BDADRP CC[C@@H]1COCC[N@@H+]1C1CCC([NH+](C)C)CC1 ZINC001168326698 964456908 /nfs/dbraw/zinc/45/69/08/964456908.db2.gz DMQHLBAWRLNGFG-IYXRBSQSSA-N 2 0 240.391 1.970 20 0 BDADRP CN1C[C@@H]2C[C@H]1C[N@@H+]2C1CCC([NH+](C)C)CC1 ZINC001168329163 964458710 /nfs/dbraw/zinc/45/87/10/964458710.db2.gz NYLVOPYGYMBDCJ-HOAMVYINSA-N 2 0 237.391 1.248 20 0 BDADRP COC[C@H]1CC[N@@H+]1C1CCC([NH+](C)C)CC1 ZINC001168329959 964465648 /nfs/dbraw/zinc/46/56/48/964465648.db2.gz LMVYIXNKRPEOOT-WXRRBKDZSA-N 2 0 226.364 1.580 20 0 BDADRP O[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168356346 964511817 /nfs/dbraw/zinc/51/18/17/964511817.db2.gz PYVATDLELQHSRF-KGLIPLIRSA-N 2 0 238.375 1.364 20 0 BDADRP C[C@H]([NH3+])c1ccn(C2CC[NH+](CC3CC3)CC2)n1 ZINC001168360645 964574734 /nfs/dbraw/zinc/57/47/34/964574734.db2.gz UVQJHVNRTAGXPP-NSHDSACASA-N 2 0 248.374 1.950 20 0 BDADRP [NH3+][C@@H]1CN(CC2CC3(C2)CC[NH2+]CC3)CC12CC2 ZINC001204903649 964614223 /nfs/dbraw/zinc/61/42/23/964614223.db2.gz ACHRWUMHUIHFHM-CYBMUJFWSA-N 2 0 249.402 1.189 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]CC[C@H](C)[NH+](C)C)CCO1 ZINC000697911258 964677441 /nfs/dbraw/zinc/67/74/41/964677441.db2.gz YQEDWPQXWZFPOU-YNEHKIRRSA-N 2 0 228.380 1.874 20 0 BDADRP Cc1cc[nH+]c(NC[C@H]2C[NH2+]CC(C)(C)O2)c1 ZINC001161950728 964832318 /nfs/dbraw/zinc/83/23/18/964832318.db2.gz KIDUVAXMJNBVJF-LLVKDONJSA-N 2 0 235.331 1.569 20 0 BDADRP CCN(C)c1cc(C)[nH+]c(N[C@H]2C[C@@](C)([NH3+])C2)n1 ZINC001162324619 964927665 /nfs/dbraw/zinc/92/76/65/964927665.db2.gz BUDQGFGZHJBDCN-GSJFWJNXSA-N 2 0 249.362 1.533 20 0 BDADRP C[C@@]1([NH3+])C[C@H](Nc2cc(-n3ccnc3)cc[nH+]2)C1 ZINC001162331834 964934917 /nfs/dbraw/zinc/93/49/17/964934917.db2.gz SJWRZLNJSZYTPX-GSJFWJNXSA-N 2 0 243.314 1.559 20 0 BDADRP [NH3+][C@H]1CCC[C@@H](Nc2[nH+]ccc3c2CCN3)C1 ZINC001162392054 964951460 /nfs/dbraw/zinc/95/14/60/964951460.db2.gz PGVXLIILRIXTEJ-VHSXEESVSA-N 2 0 232.331 1.731 20 0 BDADRP [NH3+]Cc1cc(N[C@H]2CCC[C@@H]([NH3+])C2)ccn1 ZINC001162400289 964960166 /nfs/dbraw/zinc/96/01/66/964960166.db2.gz GUCRULBWQKKLEV-ZJUUUORDSA-N 2 0 220.320 1.222 20 0 BDADRP C[C@H]1C[NH2+]CCC[C@@H]1CNc1cc(C[NH3+])ccn1 ZINC001162452944 964984287 /nfs/dbraw/zinc/98/42/87/964984287.db2.gz HKJJMBCSMDCCLS-WCQYABFASA-N 2 0 248.374 1.588 20 0 BDADRP CC[N@@H+]1CCC[C@H](OC[C@@H]2CCC[NH+]2C)C1 ZINC001224817123 964986716 /nfs/dbraw/zinc/98/67/16/964986716.db2.gz HNSUJXUCKWUAQC-STQMWFEESA-N 2 0 226.364 1.582 20 0 BDADRP CC[N@@H+]1CCC[C@@H](OC[C@@H]2CCC[NH+]2C)C1 ZINC001224817121 964988148 /nfs/dbraw/zinc/98/81/48/964988148.db2.gz HNSUJXUCKWUAQC-QWHCGFSZSA-N 2 0 226.364 1.582 20 0 BDADRP C[C@@H]1C[C@@H](O)C[N@@H+]1C1CC[NH+](CC2CC2)CC1 ZINC001168374227 964996000 /nfs/dbraw/zinc/99/60/00/964996000.db2.gz XWBXYWBRGUATOG-BXUZGUMPSA-N 2 0 238.375 1.316 20 0 BDADRP C[C@@H]1C[C@@H](CNc2cccn3c[nH+]cc23)C[NH2+]1 ZINC001162559397 965052912 /nfs/dbraw/zinc/05/29/12/965052912.db2.gz OCBYACXXDSCSCM-GHMZBOCLSA-N 2 0 230.315 1.744 20 0 BDADRP CC(C)(C)C(=[NH2+])Nc1cnc(C[NH3+])nc1 ZINC001162664817 965097847 /nfs/dbraw/zinc/09/78/47/965097847.db2.gz QCYNGUWHVDXCLX-UHFFFAOYSA-N 2 0 207.281 1.371 20 0 BDADRP CN(C)c1cc[nH+]c(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)c1 ZINC001162791558 965180578 /nfs/dbraw/zinc/18/05/78/965180578.db2.gz CMPIVMKRQMZPLP-WCFLWFBJSA-N 2 0 244.342 1.334 20 0 BDADRP Cc1ccc2c(N[C@@H]3COC[C@@H]3[NH3+])cc[nH+]c2c1 ZINC001162926634 965212496 /nfs/dbraw/zinc/21/24/96/965212496.db2.gz XTWRSOQWPJFALO-SMDDNHRTSA-N 2 0 243.310 1.681 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)C1(CO)CC1 ZINC000696046280 965229867 /nfs/dbraw/zinc/22/98/67/965229867.db2.gz XYGIHTXFSCHYPE-NSHDSACASA-N 2 0 226.364 1.079 20 0 BDADRP c1[nH+]cn2cccc(N[C@H]3CC[C@@H]4C[NH2+]C[C@@H]43)c12 ZINC001163268485 965327410 /nfs/dbraw/zinc/32/74/10/965327410.db2.gz INBUMBHAYNMGKP-WOPDTQHZSA-N 2 0 242.326 1.744 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)C1CCOCC1 ZINC000400344184 965434069 /nfs/dbraw/zinc/43/40/69/965434069.db2.gz HQTVRPSDNVVIBG-NWDGAFQWSA-N 2 0 240.391 1.779 20 0 BDADRP CN(CCC[NH+](C)C)c1[nH+]ccc2c1ccn2C ZINC001163596101 965471125 /nfs/dbraw/zinc/47/11/25/965471125.db2.gz VCDZKDVQTDTKHE-UHFFFAOYSA-N 2 0 246.358 1.961 20 0 BDADRP COc1cc[nH+]c(N(C)CCC[NH+](C)C)c1 ZINC001163595604 965471850 /nfs/dbraw/zinc/47/18/50/965471850.db2.gz PEZHCLWSXZDCMH-UHFFFAOYSA-N 2 0 223.320 1.478 20 0 BDADRP C[C@@H](C[NH+](C)C)Nc1cnccc1/C=C/[NH+](C)C ZINC001163786164 965589716 /nfs/dbraw/zinc/58/97/16/965589716.db2.gz LNJZEBPWSPXOOL-CRALRDPISA-N 2 0 248.374 1.976 20 0 BDADRP C[C@H](C[NH+](C)C)Nc1cnccc1/C=C/[NH+](C)C ZINC001163786165 965590627 /nfs/dbraw/zinc/59/06/27/965590627.db2.gz LNJZEBPWSPXOOL-YPUOHESYSA-N 2 0 248.374 1.976 20 0 BDADRP CCc1cc(-n2nc(C[NH3+])cc2C)cc[nH+]1 ZINC001163988973 965684400 /nfs/dbraw/zinc/68/44/00/965684400.db2.gz YGDKFNXWTQMQIX-UHFFFAOYSA-N 2 0 216.288 1.597 20 0 BDADRP C[C@@H]1CC[C@H](C[NH3+])N(c2cc(N)cc[nH+]2)C1 ZINC001164063300 965725302 /nfs/dbraw/zinc/72/53/02/965725302.db2.gz RJXPLFMVDJJYSF-MWLCHTKSSA-N 2 0 220.320 1.227 20 0 BDADRP CC(C)N(CCC[NH3+])c1cc(C[NH3+])ccn1 ZINC001164116253 965732226 /nfs/dbraw/zinc/73/22/26/965732226.db2.gz KEQUXFZEBCPOCU-UHFFFAOYSA-N 2 0 222.336 1.104 20 0 BDADRP Cc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)[nH]1 ZINC001205095386 965742089 /nfs/dbraw/zinc/74/20/89/965742089.db2.gz XLTVLVNHFMQAIH-LLVKDONJSA-N 2 0 207.321 1.636 20 0 BDADRP CCC[C@H](O)C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000715176508 965769928 /nfs/dbraw/zinc/76/99/28/965769928.db2.gz DZMJOJRMFKERAZ-XQQFMLRXSA-N 2 0 228.380 1.610 20 0 BDADRP C[C@H](Cc1cccc(F)c1)[NH2+]C[C@@H](C)C[NH3+] ZINC001168465169 965805235 /nfs/dbraw/zinc/80/52/35/965805235.db2.gz PKSWMNCVIMNELF-WDEREUQCSA-N 2 0 224.323 1.941 20 0 BDADRP COC[C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000699213052 965815737 /nfs/dbraw/zinc/81/57/37/965815737.db2.gz YEWVWWWQHYAZGD-RLAWYHOSSA-N 2 0 238.375 1.485 20 0 BDADRP [NH3+][C@@H]1CCC[N@H+](Cc2c[nH]c3cnccc23)CC1 ZINC001205109062 965824422 /nfs/dbraw/zinc/82/44/22/965824422.db2.gz ACWMFSHPEJIQNT-GFCCVEGCSA-N 2 0 244.342 1.876 20 0 BDADRP [NH3+][C@@H]1CCC[N@H+](Cc2ccn3ccnc3c2)CC1 ZINC001205110129 965836729 /nfs/dbraw/zinc/83/67/29/965836729.db2.gz PGTMZQRSACGAFH-CYBMUJFWSA-N 2 0 244.342 1.648 20 0 BDADRP [NH3+][C@H]1CCCN(Cc2cccc3c[nH+]cn32)CC1 ZINC001205124011 965888402 /nfs/dbraw/zinc/88/84/02/965888402.db2.gz IMPCGQUXNRRXJH-LBPRGKRZSA-N 2 0 244.342 1.648 20 0 BDADRP CN(C)c1cc[nH+]c(N2CC(C)([NH+](C)C)C2)c1 ZINC001165117984 965965028 /nfs/dbraw/zinc/96/50/28/965965028.db2.gz MBEMFZSQKTWYAY-UHFFFAOYSA-N 2 0 234.347 1.288 20 0 BDADRP CN(c1ccc(C[NH+]2CCCC2)cn1)C1C[NH2+]C1 ZINC001165127753 965969606 /nfs/dbraw/zinc/96/96/06/965969606.db2.gz VLWFFQMSOWCAKW-UHFFFAOYSA-N 2 0 246.358 1.085 20 0 BDADRP CC[C@@H]1COC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000699555691 965972490 /nfs/dbraw/zinc/97/24/90/965972490.db2.gz CRMJUSWVZDMYTN-JWURUJNWSA-N 2 0 238.375 1.626 20 0 BDADRP C[N@H+]1C[C@H]2CN(c3cc4[nH]ccc4c[nH+]3)C[C@H]2C1 ZINC001165152508 965977254 /nfs/dbraw/zinc/97/72/54/965977254.db2.gz YBCKWRPLBIXGTJ-TXEJJXNPSA-N 2 0 242.326 1.561 20 0 BDADRP Cc1c[nH+]c(N2CCC3(CC([NH3+])C3)CC2)cc1N ZINC001165242837 966004189 /nfs/dbraw/zinc/00/41/89/966004189.db2.gz AENOROGQTYCCES-UHFFFAOYSA-N 2 0 246.358 1.680 20 0 BDADRP Cn1c[nH+]cc1NCC[C@H]1CCC[N@H+](C)C1 ZINC001165272408 966016886 /nfs/dbraw/zinc/01/68/86/966016886.db2.gz HVHRDPIWNQLQPW-LLVKDONJSA-N 2 0 222.336 1.564 20 0 BDADRP COc1cc(C)c(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cn1 ZINC001205146078 966047445 /nfs/dbraw/zinc/04/74/45/966047445.db2.gz MOJQQKBMEREQSO-NWDGAFQWSA-N 2 0 249.358 1.425 20 0 BDADRP C[C@@H]1COC[C@@H]1[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000699773185 966081428 /nfs/dbraw/zinc/08/14/28/966081428.db2.gz GBCAESTZWRYOFE-QQUHWDOBSA-N 2 0 232.327 1.756 20 0 BDADRP Cc1[nH+]c(N2CCC[C@H]3[NH2+]C[C@H]32)cc2[nH]ccc21 ZINC001165389576 966086183 /nfs/dbraw/zinc/08/61/83/966086183.db2.gz AYIKPSUTYDSBKS-DGCLKSJQSA-N 2 0 242.326 1.812 20 0 BDADRP Cc1[nH+]c(N2CCC[C@@H]3[NH2+]C[C@@H]32)cc2[nH]ccc21 ZINC001165389575 966087173 /nfs/dbraw/zinc/08/71/73/966087173.db2.gz AYIKPSUTYDSBKS-AAEUAGOBSA-N 2 0 242.326 1.812 20 0 BDADRP Cn1ccc2c1cc[nH+]c2N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001165393443 966089552 /nfs/dbraw/zinc/08/95/52/966089552.db2.gz SWIYERUBDGLEFC-DGCLKSJQSA-N 2 0 242.326 1.514 20 0 BDADRP C[C@H]1CN(Cc2cccc(C[NH3+])c2)[C@@H](C)C[NH2+]1 ZINC001236079725 966264120 /nfs/dbraw/zinc/26/41/20/966264120.db2.gz SPNUACBLVBNGSA-RYUDHWBXSA-N 2 0 233.359 1.328 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](C)N1Cc1ccc2c(c1)C[NH2+]C2 ZINC001236103416 966268532 /nfs/dbraw/zinc/26/85/32/966268532.db2.gz RFRPXIBYIRIHMT-VXGBXAGGSA-N 2 0 245.370 1.472 20 0 BDADRP C[N@H+](CCCC[NH3+])C[C@H](N)Cc1ccccc1 ZINC001236139987 966274730 /nfs/dbraw/zinc/27/47/30/966274730.db2.gz BTFHLIFKMSWQAA-CQSZACIVSA-N 2 0 235.375 1.227 20 0 BDADRP C[NH2+][C@@H]1CCN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC001236167010 966279681 /nfs/dbraw/zinc/27/96/81/966279681.db2.gz LEHJTQWEKDEFIN-AWEZNQCLSA-N 2 0 231.343 1.084 20 0 BDADRP C/C=C(\NC=[NH2+])NCC1CC[NH+](C(C)C)CC1 ZINC001166594157 966317912 /nfs/dbraw/zinc/31/79/12/966317912.db2.gz KGTIMFHOKJMZPK-PQMHYQBVSA-N 2 0 238.379 1.754 20 0 BDADRP CC(C)Oc1cc[nH+]c(N2CCC([NH3+])CC2)c1 ZINC001166661945 966353298 /nfs/dbraw/zinc/35/32/98/966353298.db2.gz CDHYFBUKXMXOKJ-UHFFFAOYSA-N 2 0 235.331 1.796 20 0 BDADRP CN(C)c1cccc(N(C)C[C@@H]2CC[NH2+]C2)[nH+]1 ZINC001166955267 966480288 /nfs/dbraw/zinc/48/02/88/966480288.db2.gz UJUUDAYMAQZQTM-LLVKDONJSA-N 2 0 234.347 1.193 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237384729 966653942 /nfs/dbraw/zinc/65/39/42/966653942.db2.gz XSBIGMBTGCZHEW-UONOGXRCSA-N 3 0 239.407 1.579 20 0 BDADRP CC(C)CC[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205210814 966847467 /nfs/dbraw/zinc/84/74/67/966847467.db2.gz RLXMKBFVHICSRU-GFCCVEGCSA-N 2 0 214.353 1.208 20 0 BDADRP CCCCC[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205210513 966848825 /nfs/dbraw/zinc/84/88/25/966848825.db2.gz PGCPGQZXSYGKMM-LBPRGKRZSA-N 2 0 214.353 1.352 20 0 BDADRP Cc1ncccc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001204089075 966888691 /nfs/dbraw/zinc/88/86/91/966888691.db2.gz KCFIULGDQYITSN-SOUVJXGZSA-N 2 0 245.370 1.820 20 0 BDADRP C[NH+](C)C1CCC([NH2+]CCn2cccn2)CC1 ZINC000715572651 967187963 /nfs/dbraw/zinc/18/79/63/967187963.db2.gz LTDYNSCTXGGXOB-UHFFFAOYSA-N 2 0 236.363 1.346 20 0 BDADRP C[NH+](C)C1CCC([NH2+]C2CC[NH2+]CC2)CC1 ZINC000715583535 967192805 /nfs/dbraw/zinc/19/28/05/967192805.db2.gz LMVFOVNDQXIZIF-UHFFFAOYSA-N 3 0 225.380 1.201 20 0 BDADRP [NH3+]CCCC[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001204848712 967202169 /nfs/dbraw/zinc/20/21/69/967202169.db2.gz RHTSCUBFZSWSIG-NWDGAFQWSA-N 2 0 212.337 1.226 20 0 BDADRP C[C@@H](Nc1ccc2c(c1)C[NH2+]C2)[C@@H]1C[NH2+]CCO1 ZINC000169193333 967217694 /nfs/dbraw/zinc/21/76/94/967217694.db2.gz HBWSLHAERGLKOX-YGRLFVJLSA-N 2 0 247.342 1.079 20 0 BDADRP Cc1ccc(C[NH+]2CCC(C[NH3+])CC2)[nH]1 ZINC001205033419 967219137 /nfs/dbraw/zinc/21/91/37/967219137.db2.gz HIFWCRKIGKTYAN-UHFFFAOYSA-N 2 0 207.321 1.494 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2ncc3ccccn32)CC1 ZINC001205033411 967221927 /nfs/dbraw/zinc/22/19/27/967221927.db2.gz HAFGYFDCKVQYLJ-UHFFFAOYSA-N 2 0 244.342 1.505 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+]Cc2cccnc2N)CC1 ZINC001204939554 967247691 /nfs/dbraw/zinc/24/76/91/967247691.db2.gz YXMQOAUHUNIRAQ-UHFFFAOYSA-N 2 0 248.374 1.485 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC1 ZINC000691351010 967260587 /nfs/dbraw/zinc/26/05/87/967260587.db2.gz OWPWNQCTXWQGCF-MJBXVCDLSA-N 2 0 238.375 1.031 20 0 BDADRP C[C@@H](O)[C@@H]1CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000691351644 967260881 /nfs/dbraw/zinc/26/08/81/967260881.db2.gz UFUALMYCABXRBB-DGCLKSJQSA-N 2 0 226.364 1.031 20 0 BDADRP C[C@@H]1[C@H](C)SCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000693561854 967264312 /nfs/dbraw/zinc/26/43/12/967264312.db2.gz KXLZPVWPSHJLMS-YTWAJWBKSA-N 2 0 214.378 1.550 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2cc(O)cc(O)c2)CC1 ZINC001205033855 967296567 /nfs/dbraw/zinc/29/65/67/967296567.db2.gz XAJGVSLYIHUVNI-UHFFFAOYSA-N 2 0 236.315 1.269 20 0 BDADRP Cc1cc(C)c(C[NH+]2CCC(C[NH3+])CC2)[nH]1 ZINC001205033357 967297659 /nfs/dbraw/zinc/29/76/59/967297659.db2.gz CAUPCNJPBKXISZ-UHFFFAOYSA-N 2 0 221.348 1.802 20 0 BDADRP COc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1N ZINC001205041534 967300867 /nfs/dbraw/zinc/30/08/67/967300867.db2.gz WNMGXXLNHKMDIZ-UHFFFAOYSA-N 2 0 249.358 1.448 20 0 BDADRP Cc1cnc(F)c(C[NH+]2CCC(C[NH3+])CC2)c1 ZINC001205053947 967305873 /nfs/dbraw/zinc/30/58/73/967305873.db2.gz WQQPYPAJZQYEIP-UHFFFAOYSA-N 2 0 237.322 1.700 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2cccc(O)c2F)CC1 ZINC001205053876 967308059 /nfs/dbraw/zinc/30/80/59/967308059.db2.gz RWGJJEBXXAABLJ-UHFFFAOYSA-N 2 0 238.306 1.702 20 0 BDADRP CCC[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)CCC ZINC001485947038 967314936 /nfs/dbraw/zinc/31/49/36/967314936.db2.gz GHDVSAKTGUWMIY-LBPRGKRZSA-N 2 0 243.395 1.175 20 0 BDADRP C[C@H]1CC[C@@H](C[NH3+])N1Cc1cccc2[nH]cnc21 ZINC001205074990 967325770 /nfs/dbraw/zinc/32/57/70/967325770.db2.gz DJWCZJCLCANFGG-JQWIXIFHSA-N 2 0 244.342 1.875 20 0 BDADRP Cc1cc(C)c(C[N@@H+]2CCC[C@H]([NH3+])CC2)[nH]1 ZINC001205102612 967347150 /nfs/dbraw/zinc/34/71/50/967347150.db2.gz UMTVWDPURXTFAD-LBPRGKRZSA-N 2 0 221.348 1.945 20 0 BDADRP [NH3+][C@H]1CCC[N@H+](Cc2cnc3[nH]ccc3c2)CC1 ZINC001205101678 967349144 /nfs/dbraw/zinc/34/91/44/967349144.db2.gz IWKVOAAPKIHFGB-ZDUSSCGKSA-N 2 0 244.342 1.876 20 0 BDADRP [NH3+][C@@H]1CCC[N@H+](Cc2cnn3ccccc23)CC1 ZINC001205117761 967363215 /nfs/dbraw/zinc/36/32/15/967363215.db2.gz UMCPSBKYMYRSQE-CYBMUJFWSA-N 2 0 244.342 1.648 20 0 BDADRP CCc1n[nH]cc1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205124238 967372169 /nfs/dbraw/zinc/37/21/69/967372169.db2.gz MDCJGLBLPCZXIS-LLVKDONJSA-N 2 0 222.336 1.285 20 0 BDADRP C[C@H]1C[N@H+](Cc2cccc3nonc32)C[C@H]1C[NH3+] ZINC001205131169 967378270 /nfs/dbraw/zinc/37/82/70/967378270.db2.gz SDJZCQJBNZWUAX-GXSJLCMTSA-N 2 0 246.314 1.249 20 0 BDADRP C[C@H]1C[N@H+](Cc2c(N)cccc2F)C[C@H]1C[NH3+] ZINC001205140186 967390985 /nfs/dbraw/zinc/39/09/85/967390985.db2.gz BPXAJAQPSJVPIQ-VHSXEESVSA-N 2 0 237.322 1.435 20 0 BDADRP C[C@H]1CN(Cc2ccc(Cl)o2)C[C@H]1C[NH3+] ZINC001205151337 967395988 /nfs/dbraw/zinc/39/59/88/967395988.db2.gz SJFNVISHFFBIPT-DTWKUNHWSA-N 2 0 228.723 1.960 20 0 BDADRP C[C@@]1([NH3+])CCCN(Cc2c[nH+]ccc2N)CC1 ZINC001205266798 967456063 /nfs/dbraw/zinc/45/60/63/967456063.db2.gz XZTZTHCAHPHFFU-CYBMUJFWSA-N 2 0 234.347 1.197 20 0 BDADRP C[NH+](C)CCCc1ccc2c[nH+]cn2c1 ZINC001250164223 967460200 /nfs/dbraw/zinc/46/02/00/967460200.db2.gz OBZHBNOOSPPACL-UHFFFAOYSA-N 2 0 203.289 1.829 20 0 BDADRP C[C@@]1([NH3+])CCC[N@H+](Cc2c[nH]ccc2=O)CC1 ZINC001205288846 967484682 /nfs/dbraw/zinc/48/46/82/967484682.db2.gz PBAFSEQDEPVBGR-CYBMUJFWSA-N 2 0 235.331 1.078 20 0 BDADRP CN1CC[NH+](CCCc2ccc(C[NH3+])cc2)CC1 ZINC001250228531 967544669 /nfs/dbraw/zinc/54/46/69/967544669.db2.gz CFPBRCOSAVMCOO-UHFFFAOYSA-N 2 0 247.386 1.325 20 0 BDADRP C[C@@H]1CC[NH2+]CCN1Cc1ccc2c(c1)C[NH2+]C2 ZINC001205332034 967549159 /nfs/dbraw/zinc/54/91/59/967549159.db2.gz MOLNGOAWUXEZJN-GFCCVEGCSA-N 2 0 245.370 1.474 20 0 BDADRP [NH3+]C[C@]1(F)CCC[N@H+](CCC2CC2)CC1 ZINC001205545540 967687578 /nfs/dbraw/zinc/68/75/78/967687578.db2.gz JBLQBMIMZCGBFD-LBPRGKRZSA-N 2 0 214.328 1.939 20 0 BDADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2ccncc2)CC1 ZINC001205545445 967692442 /nfs/dbraw/zinc/69/24/42/967692442.db2.gz HIRJZUGTNVNDFE-CYBMUJFWSA-N 2 0 237.322 1.735 20 0 BDADRP C[C@@H]1CCN(C[C@H]2CCC[NH2+]2)CC[C@H]1C[NH3+] ZINC001205600533 967717169 /nfs/dbraw/zinc/71/71/69/967717169.db2.gz CEYHUCJSYWHSCM-FRRDWIJNSA-N 2 0 225.380 1.045 20 0 BDADRP C[C@@H]1CC[N@H+](CCCCCC[NH3+])CC[C@@H]1C[NH3+] ZINC001205604310 967722663 /nfs/dbraw/zinc/72/26/63/967722663.db2.gz UTIOZMYZCDRXCV-ZIAGYGMSSA-N 3 0 241.423 1.812 20 0 BDADRP Cc1cnc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cn1 ZINC001205617764 967725268 /nfs/dbraw/zinc/72/52/68/967725268.db2.gz NHJNAIQCYOVYRD-WCQYABFASA-N 2 0 248.374 1.592 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2cc[nH]c(=O)c2)CC[C@@H]1C[NH3+] ZINC001205618055 967727453 /nfs/dbraw/zinc/72/74/53/967727453.db2.gz RACLSVKFQUHQRL-DGCLKSJQSA-N 2 0 249.358 1.594 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2cscn2)CC[C@@H]1C[NH3+] ZINC001205615798 967728792 /nfs/dbraw/zinc/72/87/92/967728792.db2.gz BDHRUHSTZOYYSS-GHMZBOCLSA-N 2 0 239.388 1.950 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2ccc(=O)[nH]c2)CC[C@H]1C[NH3+] ZINC001205618709 967730866 /nfs/dbraw/zinc/73/08/66/967730866.db2.gz YHRLUDDCNXQTKF-YPMHNXCESA-N 2 0 249.358 1.594 20 0 BDADRP Cc1nccnc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205629480 967732442 /nfs/dbraw/zinc/73/24/42/967732442.db2.gz ZEJLMBXHHIIAGH-DGCLKSJQSA-N 2 0 248.374 1.592 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2ccncc2N)CC[C@@H]1C[NH3+] ZINC001205626956 967733099 /nfs/dbraw/zinc/73/30/99/967733099.db2.gz KXSIZYGVGYLMHU-VXGBXAGGSA-N 2 0 248.374 1.471 20 0 BDADRP Cc1ncoc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205627695 967734209 /nfs/dbraw/zinc/73/42/09/967734209.db2.gz RRUSOCFMQZJISV-PWSUYJOCSA-N 2 0 237.347 1.790 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2cccnc2N)CC[C@@H]1C[NH3+] ZINC001205637033 967736442 /nfs/dbraw/zinc/73/64/42/967736442.db2.gz GFJTVIJUNROTQI-VXGBXAGGSA-N 2 0 248.374 1.471 20 0 BDADRP Cc1ncoc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205627694 967738439 /nfs/dbraw/zinc/73/84/39/967738439.db2.gz RRUSOCFMQZJISV-JQWIXIFHSA-N 2 0 237.347 1.790 20 0 BDADRP Cc1ccc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)o1 ZINC001205662579 967742086 /nfs/dbraw/zinc/74/20/86/967742086.db2.gz CJLVLAUZYVARCW-ZDUSSCGKSA-N 2 0 238.331 1.264 20 0 BDADRP Cc1cccnc1C[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205671852 967763348 /nfs/dbraw/zinc/76/33/48/967763348.db2.gz FIQZYOMOURRCHJ-AWEZNQCLSA-N 2 0 249.358 1.066 20 0 BDADRP C[C@H]1CC[C@H](CN)[N@H+](CCCCCC[NH3+])C1 ZINC001205807042 967828558 /nfs/dbraw/zinc/82/85/58/967828558.db2.gz XLTLPOXJUAYAIX-QWHCGFSZSA-N 2 0 227.396 1.565 20 0 BDADRP CCc1[nH]c2ccc(N3CC[NH+](C)CC3)cc2[nH+]1 ZINC001250425913 967839274 /nfs/dbraw/zinc/83/92/74/967839274.db2.gz VATJNIRTTWENEL-UHFFFAOYSA-N 2 0 244.342 1.877 20 0 BDADRP C[N@H+](C[C@@H]1CNC(C)(C)O1)CC1CCOCC1 ZINC001205923299 967876652 /nfs/dbraw/zinc/87/66/52/967876652.db2.gz MLXXTCGUFFCSDC-LBPRGKRZSA-N 2 0 242.363 1.069 20 0 BDADRP C[C@@H]1[C@H](C[NH3+])CCCN1CC[C@@H]1CCCC[NH2+]1 ZINC001205903482 967879195 /nfs/dbraw/zinc/87/91/95/967879195.db2.gz PNNYGUAHGSBADK-RDBSUJKOSA-N 2 0 239.407 1.578 20 0 BDADRP Cc1c[nH+]c(N(C)CCC[NH+](C)C)c(N)c1 ZINC000085425942 967881162 /nfs/dbraw/zinc/88/11/62/967881162.db2.gz NBZQXBZDOOTMGC-UHFFFAOYSA-N 2 0 222.336 1.360 20 0 BDADRP C[C@@H]1CC[C@H](O)CN1C[C@H]([NH3+])Cc1ccccc1 ZINC001205922864 967886608 /nfs/dbraw/zinc/88/66/08/967886608.db2.gz CLTOVSJMTJJMCZ-YUELXQCFSA-N 2 0 248.370 1.402 20 0 BDADRP N[C@H]1CCCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC001205925857 967888761 /nfs/dbraw/zinc/88/87/61/967888761.db2.gz ZQGCTZGYDMICEL-OLZOCXBDSA-N 2 0 225.380 1.189 20 0 BDADRP N[C@@H]1CCCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC001205925859 967889806 /nfs/dbraw/zinc/88/98/06/967889806.db2.gz ZQGCTZGYDMICEL-QWHCGFSZSA-N 2 0 225.380 1.189 20 0 BDADRP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c(C)c1 ZINC001205946914 967895924 /nfs/dbraw/zinc/89/59/24/967895924.db2.gz TXKSDFBWMUOGGG-ZIAGYGMSSA-N 2 0 234.343 1.197 20 0 BDADRP CCc1cccc(C)c1C[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205972969 967913889 /nfs/dbraw/zinc/91/38/89/967913889.db2.gz DTFXWUKUWCWMDW-HUUCEWRRSA-N 2 0 248.370 1.451 20 0 BDADRP CCOC(=O)CC[N@@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205981125 967926080 /nfs/dbraw/zinc/92/60/80/967926080.db2.gz BSWDEGZICNXRCN-RYUDHWBXSA-N 2 0 242.363 1.246 20 0 BDADRP C[C@@H]1C[N@H+](CCCCCO)CCC[C@@H]1C[NH3+] ZINC001205984698 967931441 /nfs/dbraw/zinc/93/14/41/967931441.db2.gz UJXRSJPKYLTDIK-CHWSQXEVSA-N 2 0 228.380 1.456 20 0 BDADRP C[C@H]1C[N@H+](CCCCC[NH3+])CCC[C@H]1C[NH3+] ZINC001205984234 967933221 /nfs/dbraw/zinc/93/32/21/967933221.db2.gz RLPFTEMBHJWBHR-STQMWFEESA-N 3 0 227.396 1.422 20 0 BDADRP C[C@@H]1C[N@H+](CC23CC([NH3+])(C2)C3)CCC[C@H]1C[NH3+] ZINC001205982196 967935742 /nfs/dbraw/zinc/93/57/42/967935742.db2.gz LKYJUXACRRVGQE-KBHBFKLGSA-N 3 0 237.391 1.175 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccn(C)n2)CCC[C@H]1C[NH3+] ZINC001205996161 967947542 /nfs/dbraw/zinc/94/75/42/967947542.db2.gz VOHAPINWGRKFRN-RYUDHWBXSA-N 2 0 236.363 1.227 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cnn(C)c2)CCC[C@@H]1C[NH3+] ZINC001205995239 967947694 /nfs/dbraw/zinc/94/76/94/967947694.db2.gz NJIKVOZRMBTUEX-DGCLKSJQSA-N 2 0 236.363 1.227 20 0 BDADRP C[C@H]1C[N@H+](Cc2cncs2)CCC[C@H]1C[NH3+] ZINC001205996769 967948314 /nfs/dbraw/zinc/94/83/14/967948314.db2.gz YGEZUZZGWPNEKO-QWRGUYRKSA-N 2 0 239.388 1.950 20 0 BDADRP Cc1c[nH]c(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)n1 ZINC001206004182 967960806 /nfs/dbraw/zinc/96/08/06/967960806.db2.gz RALPPUSIXISPAO-CMPLNLGQSA-N 2 0 236.363 1.525 20 0 BDADRP Cc1nonc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206036754 967991544 /nfs/dbraw/zinc/99/15/44/967991544.db2.gz PJWDXRFZGSWRIX-ONGXEEELSA-N 2 0 238.335 1.185 20 0 BDADRP [NH3+][C@@H]1CN(CC[C@H]2CCCC[NH2+]2)CC(F)(F)C1 ZINC001206117121 968068332 /nfs/dbraw/zinc/06/83/32/968068332.db2.gz JKLCJCCCZRSIBN-WDEREUQCSA-N 2 0 247.333 1.187 20 0 BDADRP CC1(C)CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCS1 ZINC000693590547 968094670 /nfs/dbraw/zinc/09/46/70/968094670.db2.gz CJDLLKHCXWAABZ-PHIMTYICSA-N 2 0 228.405 1.941 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CC2CSC2)CC[N@@H+]1C ZINC000697967397 968163382 /nfs/dbraw/zinc/16/33/82/968163382.db2.gz HQNHGOYFLRKGKX-ONGXEEELSA-N 2 0 214.378 1.422 20 0 BDADRP C[C@H]1C[NH2+]CCCN1CC[C@H]1CCCC[NH2+]1 ZINC001206258055 968174068 /nfs/dbraw/zinc/17/40/68/968174068.db2.gz PBHADAVFNSVDKJ-QWHCGFSZSA-N 2 0 225.380 1.202 20 0 BDADRP C[C@]1(C[NH3+])CCCN(C[C@@H]2CCC[NH2+]2)CC1 ZINC001206295822 968194870 /nfs/dbraw/zinc/19/48/70/968194870.db2.gz NYCMRIBNYBJDSM-STQMWFEESA-N 2 0 225.380 1.189 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@H+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC001206296137 968201230 /nfs/dbraw/zinc/20/12/30/968201230.db2.gz PPRYKLNQMDWJFV-ZIAGYGMSSA-N 3 0 239.407 1.437 20 0 BDADRP Cc1c[nH]c(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)n1 ZINC001206303592 968211961 /nfs/dbraw/zinc/21/19/61/968211961.db2.gz DKMORIHFUJRWPG-ZDUSSCGKSA-N 2 0 236.363 1.669 20 0 BDADRP C[NH+](C)/C=C/c1ccncc1N1CC[C@H]([NH3+])C1 ZINC001164286998 968212456 /nfs/dbraw/zinc/21/24/56/968212456.db2.gz AEAUZIGFRACBNB-NTYUQYKDSA-N 2 0 232.331 1.151 20 0 BDADRP [NH3+][C@@H]1CCN(c2cccc(C3=[NH+]CCC3)c2)C1 ZINC001164286474 968216932 /nfs/dbraw/zinc/21/69/32/968216932.db2.gz PNAAHLJEUUMJLQ-GFCCVEGCSA-N 2 0 229.327 1.807 20 0 BDADRP Cc1coc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)n1 ZINC001206324744 968230373 /nfs/dbraw/zinc/23/03/73/968230373.db2.gz CZUJDXRTCLWTEL-CYBMUJFWSA-N 2 0 237.347 1.934 20 0 BDADRP Cc1ncncc1C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206326830 968233835 /nfs/dbraw/zinc/23/38/35/968233835.db2.gz PNNOMOFAVXUNAU-CQSZACIVSA-N 2 0 248.374 1.736 20 0 BDADRP CCCC[N@H+](C)CCC[NH2+]C[C@H](O)CC ZINC001251799877 968338051 /nfs/dbraw/zinc/33/80/51/968338051.db2.gz YXWSQNVXKUSWIN-GFCCVEGCSA-N 2 0 216.369 1.469 20 0 BDADRP Cc1cc(C)c(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(C)c1 ZINC001206512648 968346252 /nfs/dbraw/zinc/34/62/52/968346252.db2.gz SJHHEYAYJYAXBF-ZFWWWQNUSA-N 2 0 248.370 1.363 20 0 BDADRP CC[C@@H](O)C[NH2+][C@H]1CC[N@@H+](C(C)C)C[C@@H]1C ZINC001251819645 968353822 /nfs/dbraw/zinc/35/38/22/968353822.db2.gz XHJYJZCJRPMSTO-XQQFMLRXSA-N 2 0 228.380 1.466 20 0 BDADRP CC[C@@H](O)C[NH2+][C@H]1CC[N@@H+](C(C)C)C[C@H]1C ZINC001251819644 968354692 /nfs/dbraw/zinc/35/46/92/968354692.db2.gz XHJYJZCJRPMSTO-UPJWGTAASA-N 2 0 228.380 1.466 20 0 BDADRP COC(=O)[C@@H](C)C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206541957 968354949 /nfs/dbraw/zinc/35/49/49/968354949.db2.gz OGPFPCFPXOGRAC-WCQYABFASA-N 2 0 242.363 1.246 20 0 BDADRP Nc1cc(Nc2cc[nH+]c3c2CCC3)cc[nH+]1 ZINC001206528308 968355530 /nfs/dbraw/zinc/35/55/30/968355530.db2.gz KBYOQMQRXWGECL-UHFFFAOYSA-N 2 0 226.283 1.713 20 0 BDADRP [NH3+]C[C@H]1C[N@H+](Cc2cccc3ccoc32)C[C@@H]1O ZINC001206535612 968364127 /nfs/dbraw/zinc/36/41/27/968364127.db2.gz NQTSVRQTYGWTRU-STQMWFEESA-N 2 0 246.310 1.184 20 0 BDADRP C[C@]1(C[NH3+])CCCC[N@H+](CCC2C[NH2+]C2)C1 ZINC001206541268 968366212 /nfs/dbraw/zinc/36/62/12/968366212.db2.gz GCKDGAGDSYCEGC-CYBMUJFWSA-N 3 0 225.380 1.047 20 0 BDADRP C[C@@]1(C[NH3+])CCCC[N@H+](CCC2C[NH2+]C2)C1 ZINC001206541271 968366804 /nfs/dbraw/zinc/36/68/04/968366804.db2.gz GCKDGAGDSYCEGC-ZDUSSCGKSA-N 3 0 225.380 1.047 20 0 BDADRP C[C@H](O)C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001251961337 968395750 /nfs/dbraw/zinc/39/57/50/968395750.db2.gz ISOBQTYXJPJRJA-UONOGXRCSA-N 2 0 240.391 1.708 20 0 BDADRP CC(C)[N@H+](CCCC[NH3+])[C@H]1CCC[NH2+]CC1 ZINC001206582138 968399313 /nfs/dbraw/zinc/39/93/13/968399313.db2.gz MDIOANVLAZYSAD-ZDUSSCGKSA-N 3 0 227.396 1.578 20 0 BDADRP Cc1ncc(CN2CCCC[C@@H](C[NH3+])C2)cn1 ZINC001206606865 968415805 /nfs/dbraw/zinc/41/58/05/968415805.db2.gz VHESQDQTBPNMLO-LBPRGKRZSA-N 2 0 234.347 1.346 20 0 BDADRP C[NH+](C)CC(C)(C)CN1CCCC[C@@H](C[NH3+])C1 ZINC001206606536 968416619 /nfs/dbraw/zinc/41/66/19/968416619.db2.gz OKWOYONATJDZRG-ZDUSSCGKSA-N 3 0 241.423 1.635 20 0 BDADRP [NH3+]C[C@H]1CCCC[N@H+](Cc2ccc(CO)o2)C1 ZINC001206624255 968422088 /nfs/dbraw/zinc/42/20/88/968422088.db2.gz SAFMIPWIWDMUTR-LLVKDONJSA-N 2 0 238.331 1.333 20 0 BDADRP CC1(C[NH3+])CN(Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC001206737215 968447164 /nfs/dbraw/zinc/44/71/64/968447164.db2.gz NJRRZXZOMCXNSX-UHFFFAOYSA-N 2 0 231.343 1.070 20 0 BDADRP CCOc1cccnc1NC/C=C/C[NH3+] ZINC000164534596 968522982 /nfs/dbraw/zinc/52/29/82/968522982.db2.gz USLCBWGRKPTABI-ONEGZZNKSA-N 2 0 207.277 1.407 20 0 BDADRP CC(C)[NH+]1CCC(C[N@H+](C)CC(C)(C)O)CC1 ZINC001252354570 968632514 /nfs/dbraw/zinc/63/25/14/968632514.db2.gz SIJYOYFQMNIQSQ-UHFFFAOYSA-N 2 0 242.407 1.810 20 0 BDADRP Cc1noc(C)c1C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001207139518 968651604 /nfs/dbraw/zinc/65/16/04/968651604.db2.gz IBCXXXYGPXQXOQ-UHFFFAOYSA-N 2 0 249.358 1.819 20 0 BDADRP CCCC[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC000403240561 968672329 /nfs/dbraw/zinc/67/23/29/968672329.db2.gz PNISNUYPLKAHMM-SECBINFHSA-N 2 0 206.280 1.702 20 0 BDADRP CC(C)[NH+]1CCN(CC(C)(C)C[NH+](C)C)CC1 ZINC001207274736 968708183 /nfs/dbraw/zinc/70/81/83/968708183.db2.gz FWOUGDSBKUFMKV-UHFFFAOYSA-N 2 0 241.423 1.600 20 0 BDADRP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@H](CO)CC1 ZINC001207276365 968710372 /nfs/dbraw/zinc/71/03/72/968710372.db2.gz WERAWQGTFOYOOF-ZDUSSCGKSA-N 2 0 242.407 1.669 20 0 BDADRP C[NH+](C)CC(C)(C)C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC001207280341 968714342 /nfs/dbraw/zinc/71/43/42/968714342.db2.gz VQKWEABJJRCHNQ-TXEJJXNPSA-N 2 0 226.364 1.152 20 0 BDADRP COCC1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001207392227 968751571 /nfs/dbraw/zinc/75/15/71/968751571.db2.gz XBHXQVIZYOWFQL-UHFFFAOYSA-N 2 0 240.391 1.687 20 0 BDADRP COCC[C@@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC001207437611 968770271 /nfs/dbraw/zinc/77/02/71/968770271.db2.gz MDSQJBUBPULQTF-AWEZNQCLSA-N 2 0 240.391 1.877 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@@]2(CCCO2)C1 ZINC001207435427 968770400 /nfs/dbraw/zinc/77/04/00/968770400.db2.gz DYAILHNIKXSUGA-ZDUSSCGKSA-N 2 0 224.348 1.241 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@]2(C1)CCCCO2 ZINC001207435429 968770903 /nfs/dbraw/zinc/77/09/03/968770903.db2.gz FCMNHDZXRDHTHJ-AWEZNQCLSA-N 2 0 238.375 1.631 20 0 BDADRP c1cc2c(cn1)CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001207436591 968770920 /nfs/dbraw/zinc/77/09/20/968770920.db2.gz OWDJETZNKZKFCJ-UHFFFAOYSA-N 2 0 231.343 1.439 20 0 BDADRP CC[N@H+](C)C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC001207442307 968772860 /nfs/dbraw/zinc/77/28/60/968772860.db2.gz YAJSMZHBHUUDKI-UHFFFAOYSA-N 3 0 239.407 1.402 20 0 BDADRP FC[C@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC001207443096 968774427 /nfs/dbraw/zinc/77/44/27/968774427.db2.gz NOLKAHAJHFFPEL-LLVKDONJSA-N 2 0 200.301 1.420 20 0 BDADRP C(C1CC[NH2+]CC1)[NH+]1CCC2(CCO2)CC1 ZINC001207439665 968775236 /nfs/dbraw/zinc/77/52/36/968775236.db2.gz YOCSMDHSQSRTFI-UHFFFAOYSA-N 2 0 224.348 1.241 20 0 BDADRP F[C@H]1C[C@@H]2C[C@H]1C[N@@H+]2CC1CC[NH2+]CC1 ZINC001207439433 968775943 /nfs/dbraw/zinc/77/59/43/968775943.db2.gz TUXBSJXNRFZWSO-SRVKXCTJSA-N 2 0 212.312 1.418 20 0 BDADRP C[NH+]1CCC(CC[N@@H+]2CC[C@@]23CCOC3)CC1 ZINC001207488950 968803726 /nfs/dbraw/zinc/80/37/26/968803726.db2.gz TZJOWWTZQAUVOX-AWEZNQCLSA-N 2 0 238.375 1.583 20 0 BDADRP Nc1cc[nH+]c(N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC001154978891 968837868 /nfs/dbraw/zinc/83/78/68/968837868.db2.gz VLQJFNFZBZFAKW-PSASIEDQSA-N 2 0 206.293 1.346 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+][C@H]3CCSC3)[C@H]2C1 ZINC001207838133 968897485 /nfs/dbraw/zinc/89/74/85/968897485.db2.gz WGTUKRFCNHMBNZ-BJDJZHNGSA-N 2 0 226.389 1.422 20 0 BDADRP C[C@H]1[NH2+]CC[C@H]1Nc1[nH+]ccc2c1ccn2C ZINC001155187472 968923956 /nfs/dbraw/zinc/92/39/56/968923956.db2.gz GDMRKWOMJDFXBQ-MWLCHTKSSA-N 2 0 230.315 1.736 20 0 BDADRP CCC[C@@H](O)C[N@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001252785158 968959451 /nfs/dbraw/zinc/95/94/51/968959451.db2.gz AOPUMMPKOLAQEX-FRRDWIJNSA-N 2 0 226.364 1.031 20 0 BDADRP CC(=O)[C@@H]1CC[N@@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208112253 969007106 /nfs/dbraw/zinc/00/71/06/969007106.db2.gz UKJPFUZVWSAJOD-CYBMUJFWSA-N 2 0 238.375 1.629 20 0 BDADRP C[NH+]1CCC(C)(C[N@@H+]2CCCC(=O)CC2)CC1 ZINC001208109968 969008214 /nfs/dbraw/zinc/00/82/14/969008214.db2.gz QMOHXHPHGRAQOX-UHFFFAOYSA-N 2 0 238.375 1.773 20 0 BDADRP C[C@@H]1C[N@H+](CC2(C)CC[NH+](C)CC2)[C@@H](C)CO1 ZINC001208110825 969010464 /nfs/dbraw/zinc/01/04/64/969010464.db2.gz HALLVBAMHAOGEN-QWHCGFSZSA-N 2 0 240.391 1.828 20 0 BDADRP C[NH+](C)CCN1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC001208126515 969021286 /nfs/dbraw/zinc/02/12/86/969021286.db2.gz JGPUOFXRQAMVEE-HNNXBMFYSA-N 2 0 247.386 1.537 20 0 BDADRP CC1CCC([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)CC1 ZINC001253383677 969146928 /nfs/dbraw/zinc/14/69/28/969146928.db2.gz HZBGLDAJAINYHJ-BPCQOVAHSA-N 2 0 242.407 1.904 20 0 BDADRP CC(C)[C@@H](C)[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253384472 969148348 /nfs/dbraw/zinc/14/83/48/969148348.db2.gz VCDBRNLJFLTTHD-MNOVXSKESA-N 2 0 216.369 1.370 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@H](OC)C2)CC1 ZINC001208595487 969150014 /nfs/dbraw/zinc/15/00/14/969150014.db2.gz USIBKNKAJQIALC-AWEZNQCLSA-N 2 0 240.391 1.829 20 0 BDADRP CC[NH+]1CCC(C[NH+]2CC3(COC3)C2)CC1 ZINC001208594886 969150503 /nfs/dbraw/zinc/15/05/03/969150503.db2.gz PGBNWRVRPMKHEE-UHFFFAOYSA-N 2 0 224.348 1.051 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CC[C@@H](F)C2)CC1 ZINC001208593131 969152797 /nfs/dbraw/zinc/15/27/97/969152797.db2.gz OBPIDKWRJHOLJF-GFCCVEGCSA-N 2 0 214.328 1.762 20 0 BDADRP CC(C)(C)[NH2+]C[C@@H](O)CN1CCC[C@@H]2C[C@@H]21 ZINC001253396208 969154521 /nfs/dbraw/zinc/15/45/21/969154521.db2.gz VVWLRMJCUSUETP-UTUOFQBUSA-N 2 0 226.364 1.220 20 0 BDADRP CCC[C@H](C)[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253406397 969162084 /nfs/dbraw/zinc/16/20/84/969162084.db2.gz JMNQDNMBTKWVLY-QWRGUYRKSA-N 2 0 216.369 1.514 20 0 BDADRP COC[C@H]1CC[N@@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208616154 969173229 /nfs/dbraw/zinc/17/32/29/969173229.db2.gz ZIYVHUSSLWWNIP-VXGBXAGGSA-N 2 0 212.337 1.049 20 0 BDADRP CCCCC[C@@H](O)C[NH2+]C[C@H]1CC[N@H+](C)C1 ZINC001253547208 969216175 /nfs/dbraw/zinc/21/61/75/969216175.db2.gz FQVUGPZURWGSAY-CHWSQXEVSA-N 2 0 228.380 1.469 20 0 BDADRP Cc1n[nH]cc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205996357 969344261 /nfs/dbraw/zinc/34/42/61/969344261.db2.gz WKENIJWCJTXTKC-PWSUYJOCSA-N 2 0 236.363 1.525 20 0 BDADRP CC[NH+]1C[C@@H]2C[NH+](C[C@@H](O)C(C)(C)C)C[C@H]2C1 ZINC001253732191 969353966 /nfs/dbraw/zinc/35/39/66/969353966.db2.gz FZODLLNEFVVUHR-JHJVBQTASA-N 2 0 240.391 1.277 20 0 BDADRP C[NH+](C)CCC(C)(C)[NH2+]C[C@@H](O)C(C)(C)C ZINC001253744771 969360923 /nfs/dbraw/zinc/36/09/23/969360923.db2.gz DULYQCRHBVQEEB-LLVKDONJSA-N 2 0 230.396 1.713 20 0 BDADRP C[NH+](C)CCC[N@H+](C)CC1COC(C)(C)OC1 ZINC001209191075 969382945 /nfs/dbraw/zinc/38/29/45/969382945.db2.gz FQZZIKIHUALLNP-UHFFFAOYSA-N 2 0 244.379 1.269 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCCCCO)C2 ZINC001169096006 969386660 /nfs/dbraw/zinc/38/66/60/969386660.db2.gz UDXAXWDPUDQJFH-ZSOGYDGISA-N 2 0 240.391 1.754 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1CSC1)C2 ZINC001169098924 969389780 /nfs/dbraw/zinc/38/97/80/969389780.db2.gz MLNRHAPGWJMGHG-ZSBIGDGJSA-N 2 0 226.389 1.564 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H]1C[C@H](F)C1)C2 ZINC001169097823 969391869 /nfs/dbraw/zinc/39/18/69/969391869.db2.gz CDHBPDUAAGGHOY-UMBVQODESA-N 2 0 226.339 1.949 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NCC[NH+]1CCCC1)C2 ZINC001169077947 969395373 /nfs/dbraw/zinc/39/53/73/969395373.db2.gz CJDKNXCKYZWWOK-ZSOGYDGISA-N 2 0 237.391 1.297 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CC(F)C1)C2 ZINC001169079232 969397703 /nfs/dbraw/zinc/39/77/03/969397703.db2.gz KEAUYRUCIFTINA-VQZRLGFTSA-N 2 0 212.312 1.702 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1nccc1C[NH3+])C2 ZINC001169077865 969398011 /nfs/dbraw/zinc/39/80/11/969398011.db2.gz AVFRMBNICLJBQO-IAZYJMLFSA-N 2 0 220.320 1.140 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1CCOCC1)C2 ZINC001169079767 969403734 /nfs/dbraw/zinc/40/37/34/969403734.db2.gz LJWDAXDZUZGMTM-BTTYYORXSA-N 2 0 238.375 1.628 20 0 BDADRP CC(C)[C@@H](O)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001253783053 969404619 /nfs/dbraw/zinc/40/46/19/969404619.db2.gz UQGVZXMFVIYDAB-CRWXNKLISA-N 2 0 240.391 1.608 20 0 BDADRP CC(C)N(CC[NH3+])[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169091432 969406158 /nfs/dbraw/zinc/40/61/58/969406158.db2.gz QXTLWJCNHHMLPZ-CLLJXQQHSA-N 2 0 225.380 1.281 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](n1cccc1C[NH3+])C2 ZINC001169089326 969406972 /nfs/dbraw/zinc/40/69/72/969406972.db2.gz BIDRMVCNBWFINE-PTEHBNRSSA-N 2 0 219.332 1.745 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCC(C)(C)O)C2 ZINC001169092125 969409016 /nfs/dbraw/zinc/40/90/16/969409016.db2.gz YAQBMSGADBIADL-ZSBIGDGJSA-N 2 0 226.364 1.362 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](n1ccc(C[NH3+])n1)C2 ZINC001169092087 969410709 /nfs/dbraw/zinc/41/07/09/969410709.db2.gz XCSIALHXOFQGCM-ZSBIGDGJSA-N 2 0 220.320 1.140 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCC[C@H]1CO)C2 ZINC001169120203 969413670 /nfs/dbraw/zinc/41/36/70/969413670.db2.gz ZLXBJBRJAXXBOD-HPCHECBXSA-N 2 0 238.375 1.362 20 0 BDADRP CC[NH+]1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169124270 969417824 /nfs/dbraw/zinc/41/78/24/969417824.db2.gz BICGSBCORKNRAH-BTTYYORXSA-N 2 0 237.391 1.249 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@]1(C)CCCOC1)C2 ZINC001169125350 969423673 /nfs/dbraw/zinc/42/36/73/969423673.db2.gz ZPFUFTYUWFWXHA-YIYPIFLZSA-N 2 0 238.375 1.770 20 0 BDADRP CO[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169125966 969426267 /nfs/dbraw/zinc/42/62/67/969426267.db2.gz OHWXEICBXIAGAY-YVECIDJPSA-N 2 0 224.348 1.332 20 0 BDADRP C[C@H]1C[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CCCO1 ZINC001169125379 969429113 /nfs/dbraw/zinc/42/91/13/969429113.db2.gz HMHNDUAAMNJCKF-FQUUOJAGSA-N 2 0 238.375 1.722 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1cnc3c1C[NH2+]CC3)C2 ZINC001169126512 969429911 /nfs/dbraw/zinc/42/99/11/969429911.db2.gz VOXYWARMTFOMKH-GDNZZTSVSA-N 2 0 246.358 1.327 20 0 BDADRP CC[C@@H]1COCCN1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169142610 969456055 /nfs/dbraw/zinc/45/60/55/969456055.db2.gz DLISBCALWCVGQV-MQYQWHSLSA-N 2 0 238.375 1.722 20 0 BDADRP C[C@@H]1C[C@@H](O)CC[N@@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169142176 969457540 /nfs/dbraw/zinc/45/75/40/969457540.db2.gz AJBVOQUIMZROFI-RGDJUOJXSA-N 2 0 238.375 1.457 20 0 BDADRP CC[N@H+]1C[C@@H]2C[NH+](CCC(C)(C)OC)C[C@@H]2C1 ZINC001209409677 969475868 /nfs/dbraw/zinc/47/58/68/969475868.db2.gz SJKQKMKLNPLHIH-BETUJISGSA-N 2 0 240.391 1.685 20 0 BDADRP CCc1cc(-n2ccc([C@H](C)[NH3+])n2)cc[nH+]1 ZINC001169234335 969513052 /nfs/dbraw/zinc/51/30/52/969513052.db2.gz HBIFZUKLDLDNDM-VIFPVBQESA-N 2 0 216.288 1.849 20 0 BDADRP CN(CCC[NH+]1CCCCC1)[C@@H]1CC[N@H+](C)C1 ZINC001209449089 969519441 /nfs/dbraw/zinc/51/94/41/969519441.db2.gz RMLWLVOURFQVII-CQSZACIVSA-N 2 0 239.407 1.498 20 0 BDADRP CC[NH+]1CCC(NC(C)(C)C(C)(C)[NH3+])CC1 ZINC001169237900 969525502 /nfs/dbraw/zinc/52/55/02/969525502.db2.gz BWUHGIZRLOKJDX-UHFFFAOYSA-N 2 0 227.396 1.576 20 0 BDADRP CC[NH+]1CCC(n2ccnc2CCC[NH3+])CC1 ZINC001169244446 969531371 /nfs/dbraw/zinc/53/13/71/969531371.db2.gz OTJYNMVPIYHDPN-UHFFFAOYSA-N 2 0 236.363 1.431 20 0 BDADRP [NH3+]CCN1CC[NH+](C2CCC(F)(F)CC2)CC1 ZINC001254208516 969535951 /nfs/dbraw/zinc/53/59/51/969535951.db2.gz QABCRIIJMSRPRI-UHFFFAOYSA-N 2 0 247.333 1.141 20 0 BDADRP Nc1ccncc1C[N@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001209729404 969585408 /nfs/dbraw/zinc/58/54/08/969585408.db2.gz KDZFXFOECGCYDR-SCZZXKLOSA-N 2 0 239.269 1.581 20 0 BDADRP CCCC[NH+]1CCN(Cc2c[nH+]ccc2N)CC1 ZINC001209734832 969598841 /nfs/dbraw/zinc/59/88/41/969598841.db2.gz UMSLZXYAUBFLOY-UHFFFAOYSA-N 2 0 248.374 1.412 20 0 BDADRP Nc1ccncc1C[N@@H+]1CCC[C@]12CCOC2 ZINC001209736561 969599895 /nfs/dbraw/zinc/59/98/95/969599895.db2.gz FKWIKJZBGUDVMN-CYBMUJFWSA-N 2 0 233.315 1.249 20 0 BDADRP [NH2+]=C(NCCCC[NH3+])NC1CCC2(CC2)CC1 ZINC001254434822 969626294 /nfs/dbraw/zinc/62/62/94/969626294.db2.gz VXLIDIMQMAWBND-UHFFFAOYSA-N 2 0 238.379 1.562 20 0 BDADRP CN([C@H]1CCC[N@H+](C)CC1)C(C)(C)C[NH3+] ZINC001254506622 969650578 /nfs/dbraw/zinc/65/05/78/969650578.db2.gz VQLXUMMQALXRRP-NSHDSACASA-N 2 0 213.369 1.140 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CC[C@](C)(O)CC2)CC1 ZINC001254498416 969659523 /nfs/dbraw/zinc/65/95/23/969659523.db2.gz ZRWJFYATCSZFOX-IHRRRGAJSA-N 2 0 240.391 1.754 20 0 BDADRP COCC(C)(C)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001254500121 969663312 /nfs/dbraw/zinc/66/33/12/969663312.db2.gz FMMPVMUKYRWCQD-NSHDSACASA-N 2 0 214.353 1.485 20 0 BDADRP CCCC[C@@H](CO)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001254505065 969671301 /nfs/dbraw/zinc/67/13/01/969671301.db2.gz YRLGNSHBFQEMPL-STQMWFEESA-N 2 0 228.380 1.611 20 0 BDADRP CCCC[C@H](CO)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001254505064 969674192 /nfs/dbraw/zinc/67/41/92/969674192.db2.gz YRLGNSHBFQEMPL-QWHCGFSZSA-N 2 0 228.380 1.611 20 0 BDADRP C[C@@H](CO)CC[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001254510513 969677295 /nfs/dbraw/zinc/67/72/95/969677295.db2.gz XFPCNMNVRFNACB-NEPJUHHUSA-N 2 0 214.353 1.079 20 0 BDADRP C[C@@H]1COCC[N@@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254515676 969681601 /nfs/dbraw/zinc/68/16/01/969681601.db2.gz AQCCMOCDRRFTBB-QWHCGFSZSA-N 2 0 226.364 1.439 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+]C[C@H]2CCCC[C@H]2O)CC1 ZINC001254511716 969682556 /nfs/dbraw/zinc/68/25/56/969682556.db2.gz DEXSFEQJWKHGPF-MGPQQGTHSA-N 2 0 240.391 1.611 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH+]2CCC[C@H](O)CC2)CC1 ZINC001254516463 969686821 /nfs/dbraw/zinc/68/68/21/969686821.db2.gz MPMTZMSEJRHHLA-STQMWFEESA-N 2 0 226.364 1.318 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH+]2CCC[C@@](C)(O)C2)CC1 ZINC001254524387 969709271 /nfs/dbraw/zinc/70/92/71/969709271.db2.gz WHTCCIYXRHYILA-QWHCGFSZSA-N 2 0 226.364 1.318 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH+]2CCC[C@H](CCO)C2)CC1 ZINC001254524278 969710708 /nfs/dbraw/zinc/71/07/08/969710708.db2.gz AGABBFWKWYZNQF-ZIAGYGMSSA-N 2 0 240.391 1.565 20 0 BDADRP C[N@@H+]1CCC[C@@H](N2CC[NH+]3CCC2CC3)CC1 ZINC001254525429 969720667 /nfs/dbraw/zinc/72/06/67/969720667.db2.gz IGTHRXMTFCJQEX-CYBMUJFWSA-N 2 0 237.391 1.251 20 0 BDADRP Nc1cc(NCC[C@H]2CCC[NH2+]2)[nH+]cc1F ZINC001169562429 969758916 /nfs/dbraw/zinc/75/89/16/969758916.db2.gz DRXKKDRMLRTNLE-MRVPVSSYSA-N 2 0 224.283 1.357 20 0 BDADRP CC[NH+](CC)CCN[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254833404 969796126 /nfs/dbraw/zinc/79/61/26/969796126.db2.gz XXESQXUAIYXZKY-CQSZACIVSA-N 2 0 239.407 1.402 20 0 BDADRP [NH3+]CCc1nccn1[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254835122 969798906 /nfs/dbraw/zinc/79/89/06/969798906.db2.gz FAUUELZGDCCLFX-GFCCVEGCSA-N 2 0 234.347 1.041 20 0 BDADRP Cc1cc(C[NH3+])nn1[C@H]1CC2CC[NH+](CC2)C1 ZINC001254835353 969799366 /nfs/dbraw/zinc/79/93/66/969799366.db2.gz GICLJARHJINAGI-ZDUSSCGKSA-N 2 0 234.347 1.307 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]C2C[C@@H]3CC(=O)C[C@H]3C2)C1 ZINC001254937189 969827645 /nfs/dbraw/zinc/82/76/45/969827645.db2.gz ZNZJKGBEMFYDMU-WYUUTHIRSA-N 2 0 236.359 1.604 20 0 BDADRP [NH3+]Cc1ccn(-c2ccc([C@H]3CCC[NH2+]3)cn2)c1 ZINC001169716842 969832613 /nfs/dbraw/zinc/83/26/13/969832613.db2.gz RBXWCTCXHYYTNU-CYBMUJFWSA-N 2 0 242.326 1.756 20 0 BDADRP C/C=C(\NC=[NH2+])NCC12CC[NH+](CC1)CC2 ZINC001169792742 969860682 /nfs/dbraw/zinc/86/06/82/969860682.db2.gz AXNDPIVESFGFKH-FUQNDXKWSA-N 2 0 222.336 1.120 20 0 BDADRP CC[C@@H]([NH3+])CN1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001210311689 969861598 /nfs/dbraw/zinc/86/15/98/969861598.db2.gz MVNRGOUEVVWQGN-CABCVRRESA-N 2 0 247.386 1.240 20 0 BDADRP CCC[N@H+](CCC[NH+](C)C)C1CCOCC1 ZINC001255047293 969867026 /nfs/dbraw/zinc/86/70/26/969867026.db2.gz MJOJYTFMKZXSHV-UHFFFAOYSA-N 2 0 228.380 1.829 20 0 BDADRP CO[C@H](C)C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000167053962 969975416 /nfs/dbraw/zinc/97/54/16/969975416.db2.gz FTHPECVVFVDSKA-NEPJUHHUSA-N 2 0 214.353 1.341 20 0 BDADRP Cc1cnc(CC[NH3+])n1[C@@H]1CCSC1 ZINC001255268872 970019368 /nfs/dbraw/zinc/01/93/68/970019368.db2.gz RGUZTWMMGXNSBY-SECBINFHSA-N 2 0 211.334 1.371 20 0 BDADRP CC[N@H+](CCC[NH+](C)C)[C@H]1CCSC1 ZINC001255295185 970061082 /nfs/dbraw/zinc/06/10/82/970061082.db2.gz VQGZAEWFBOTICZ-NSHDSACASA-N 2 0 216.394 1.766 20 0 BDADRP [NH3+]C1(c2ccc(NC[C@@H]3COCC[NH2+]3)cc2)CC1 ZINC001170043357 970064664 /nfs/dbraw/zinc/06/46/64/970064664.db2.gz GSGSPHJVRYFQFS-CYBMUJFWSA-N 2 0 247.342 1.035 20 0 BDADRP CN1CC[C@@H]([N@@H+]2CCC3(C2)CC[NH+](C)CC3)C1 ZINC001255438847 970169734 /nfs/dbraw/zinc/16/97/34/970169734.db2.gz PCUJHYSUAUJQDG-CYBMUJFWSA-N 2 0 237.391 1.108 20 0 BDADRP C[C@H]([NH3+])c1ccn([C@H]2CCC[N@H+](C)C2)n1 ZINC001255471834 970195300 /nfs/dbraw/zinc/19/53/00/970195300.db2.gz HUYBLKQSSORFEY-UWVGGRQHSA-N 2 0 208.309 1.170 20 0 BDADRP C[N@@H+]1CCC[C@H](Nc2cccc(C[NH3+])c2)C1 ZINC001255470689 970197677 /nfs/dbraw/zinc/19/76/77/970197677.db2.gz NSCKHWFVHCRKKK-ZDUSSCGKSA-N 2 0 219.332 1.651 20 0 BDADRP CN1CCC[C@@H]([NH2+]C(C)(C)CC[NH+](C)C)C1 ZINC001255472043 970200258 /nfs/dbraw/zinc/20/02/58/970200258.db2.gz MFTDMLFFTWETSX-GFCCVEGCSA-N 2 0 227.396 1.401 20 0 BDADRP COc1c[nH+]ccc1Nc1cccc2nccn21 ZINC001211257666 970205599 /nfs/dbraw/zinc/20/55/99/970205599.db2.gz LHWCPELTEXBRHJ-UHFFFAOYSA-N 2 0 240.266 1.903 20 0 BDADRP CC(C)N([C@H]1CCC[N@H+](C)C1)C(C)(C)C[NH3+] ZINC001255479482 970209399 /nfs/dbraw/zinc/20/93/99/970209399.db2.gz IWNYAPWUKICSFV-LBPRGKRZSA-N 2 0 227.396 1.528 20 0 BDADRP CC[N@@H+]1CCCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC001255480964 970216205 /nfs/dbraw/zinc/21/62/05/970216205.db2.gz NAEKXVXTWYHIKX-CYBMUJFWSA-N 2 0 225.380 1.108 20 0 BDADRP CC[N@@H+]1CCN([C@@H]2CCC[NH+](C)C2)C(C)(C)C1 ZINC001255494016 970248696 /nfs/dbraw/zinc/24/86/96/970248696.db2.gz JEBGKIPAOICABP-CYBMUJFWSA-N 2 0 239.407 1.497 20 0 BDADRP C[C@@H]1CC[C@H](NC(=[NH2+])NCCCC[NH3+])C1 ZINC001170104917 970301534 /nfs/dbraw/zinc/30/15/34/970301534.db2.gz OEMBRMFWUDLRMF-ZJUUUORDSA-N 2 0 212.341 1.028 20 0 BDADRP C[C@@H]1CC[C@H](NC(=[NH2+])SCC[NH3+])C1 ZINC001170102837 970307853 /nfs/dbraw/zinc/30/78/53/970307853.db2.gz CXXZAPRRMOAKFX-SFYZADRCSA-N 2 0 201.339 1.391 20 0 BDADRP COCC[N@H+](C)Cc1ccnc(C2=CC[NH2+]C2)c1 ZINC001243108117 970341949 /nfs/dbraw/zinc/34/19/49/970341949.db2.gz MJRYVEHKYIOCOO-UHFFFAOYSA-N 2 0 247.342 1.146 20 0 BDADRP [NH3+]C1(c2ccc(C3=CC[NH2+]C3)cc2)CC1 ZINC001243111866 970356324 /nfs/dbraw/zinc/35/63/24/970356324.db2.gz ZHYVVTGQKRRZLK-UHFFFAOYSA-N 2 0 200.285 1.621 20 0 BDADRP C1=C(c2cncc(C[NH+]3CCCC3)c2)C[NH2+]C1 ZINC001243111890 970358652 /nfs/dbraw/zinc/35/86/52/970358652.db2.gz VDGPWCOZBWEBQH-UHFFFAOYSA-N 2 0 229.327 1.664 20 0 BDADRP COC[C@H](C)[N@@H+]1C[C@H]2CCCN(C)[C@@H]2C1 ZINC001255582990 970387001 /nfs/dbraw/zinc/38/70/01/970387001.db2.gz GMXSDQIUXLMDHH-QJPTWQEYSA-N 2 0 212.337 1.047 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)NC(C)(C)C[NH3+] ZINC001255942377 970566937 /nfs/dbraw/zinc/56/69/37/970566937.db2.gz FJUHHEHMHMIGGW-LLVKDONJSA-N 2 0 215.385 1.434 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]CCC(=O)N(C)C ZINC001255940390 970570438 /nfs/dbraw/zinc/57/04/38/970570438.db2.gz BEUKATKAXBNECO-LBPRGKRZSA-N 2 0 243.395 1.175 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+][C@H](CO)C(C)C ZINC001255941652 970571530 /nfs/dbraw/zinc/57/15/30/970571530.db2.gz WCKKKGWNIHGOLP-QWHCGFSZSA-N 2 0 230.396 1.713 20 0 BDADRP CCOC[C@@H](C)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000400332462 970578218 /nfs/dbraw/zinc/57/82/18/970578218.db2.gz GHUUUPMIXPAWAP-MNOVXSKESA-N 2 0 214.353 1.389 20 0 BDADRP C[C@H](NC[C@@H](O)c1ccsc1)[C@H]1CCC[NH2+]1 ZINC000400345980 970581667 /nfs/dbraw/zinc/58/16/67/970581667.db2.gz KJKHGNONMUZDJT-MVWJERBFSA-N 2 0 240.372 1.512 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H]1CCC[C@H]1CO ZINC001255951373 970586521 /nfs/dbraw/zinc/58/65/21/970586521.db2.gz JNMCPZALVMHOHB-RDBSUJKOSA-N 2 0 242.407 1.857 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC001255955568 970586986 /nfs/dbraw/zinc/58/69/86/970586986.db2.gz BTLCRPHLEGCEBO-MGPQQGTHSA-N 2 0 242.407 1.810 20 0 BDADRP Cc1ncc(C[NH2+][C@@H](C)C2CC[NH2+]CC2)s1 ZINC000400464791 970592335 /nfs/dbraw/zinc/59/23/35/970592335.db2.gz SOUXGOSKBXPCHP-VIFPVBQESA-N 2 0 239.388 1.929 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC2(COC2)C1 ZINC001255956072 970596131 /nfs/dbraw/zinc/59/61/31/970596131.db2.gz GQNBHQXRNADJIH-CYBMUJFWSA-N 2 0 240.391 1.829 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CC[C@H](CO)C1 ZINC001255960549 970601153 /nfs/dbraw/zinc/60/11/53/970601153.db2.gz IKIXHNNCCCODGK-OLZOCXBDSA-N 2 0 228.380 1.421 20 0 BDADRP [NH3+]Cc1ncccc1NC1CC[NH+](C2CC2)CC1 ZINC001256070737 970633935 /nfs/dbraw/zinc/63/39/35/970633935.db2.gz DPDDDRPLQHUAFO-UHFFFAOYSA-N 2 0 246.358 1.579 20 0 BDADRP F[C@@H]1COCC[C@H]1[NH2+]C1CCN(C2CC2)CC1 ZINC001256068716 970636538 /nfs/dbraw/zinc/63/65/38/970636538.db2.gz GMTILYVVPTYMID-CHWSQXEVSA-N 2 0 242.338 1.330 20 0 BDADRP C[C@@H](Cc1ccccc1Cl)[NH2+][C@@H]1C[C@H]1N ZINC001170255705 970665666 /nfs/dbraw/zinc/66/56/66/970665666.db2.gz WVJCAUBVIWLWKX-XXILOJSOSA-N 2 0 224.735 1.960 20 0 BDADRP C[NH+]1CCC(n2ccnc2[C@@H]2CCC[NH2+]C2)CC1 ZINC001256209442 970711906 /nfs/dbraw/zinc/71/19/06/970711906.db2.gz VZHPOBCKPWOEDD-GFCCVEGCSA-N 2 0 248.374 1.617 20 0 BDADRP CN1CCC([N@@H+]2CC[C@@H](c3ccccn3)C2)CC1 ZINC001256207917 970714743 /nfs/dbraw/zinc/71/47/43/970714743.db2.gz YUWJWNKPXLKNGL-CYBMUJFWSA-N 2 0 245.370 1.965 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CO[C@H](C)C1 ZINC000401903148 970744562 /nfs/dbraw/zinc/74/45/62/970744562.db2.gz GGAYTNXSAWBLQV-GMTAPVOTSA-N 2 0 200.326 1.094 20 0 BDADRP C[C@H]1[C@@H]([NH3+])CCCN1c1cc2[nH]ccc2c[nH+]1 ZINC001157734372 970754618 /nfs/dbraw/zinc/75/46/18/970754618.db2.gz WBEGSNIMWDREAX-ONGXEEELSA-N 2 0 230.315 1.879 20 0 BDADRP CCc1cc(C[NH+]2CCC(F)(C[NH3+])CC2)on1 ZINC001222531610 972547309 /nfs/dbraw/zinc/54/73/09/972547309.db2.gz DWTGWHBKUVRDJW-UHFFFAOYSA-N 2 0 241.310 1.500 20 0 BDADRP Cc1cc(C[NH+]2CCC(F)(C[NH3+])CC2)sn1 ZINC001222548527 972558098 /nfs/dbraw/zinc/55/80/98/972558098.db2.gz PTYADIWYZVQEMG-UHFFFAOYSA-N 2 0 243.351 1.714 20 0 BDADRP CC[C@@H]1C[C@@H](N2CCCC[C@@H]2C[NH3+])CC[NH2+]1 ZINC001246542454 972580123 /nfs/dbraw/zinc/58/01/23/972580123.db2.gz QNAJKCNNLARMHO-FRRDWIJNSA-N 2 0 225.380 1.330 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCN1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001246545170 972624099 /nfs/dbraw/zinc/62/40/99/972624099.db2.gz UJEFCPIINPUPMV-RKQHYHRCSA-N 2 0 237.391 1.423 20 0 BDADRP CC1(C)C[C@@H]([N@@H+]2CCC[C@@H]([NH3+])CC2)CCO1 ZINC001246547434 972672382 /nfs/dbraw/zinc/67/23/82/972672382.db2.gz PQABBCIVICXZBW-NEPJUHHUSA-N 2 0 226.364 1.757 20 0 BDADRP C[C@@]1([NH3+])CCCN([C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246547945 972689435 /nfs/dbraw/zinc/68/94/35/972689435.db2.gz DKHKXOGJPVOBOT-ZOBORPQBSA-N 2 0 237.391 1.473 20 0 BDADRP C[NH2+]C[C@@H]1CCCN([C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246549902 972701594 /nfs/dbraw/zinc/70/15/94/972701594.db2.gz KXSPNYLKJLWUGK-RWMBFGLXSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@H]1C[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CC(C)(C)C1 ZINC001246558382 972781142 /nfs/dbraw/zinc/78/11/42/972781142.db2.gz LFDVAULTUBDDND-WUHRBBMRSA-N 2 0 240.391 1.595 20 0 BDADRP C[C@@H]1CCN([C@H]2CCCC[NH2+]C2)CC[C@H]1C[NH3+] ZINC001246561428 972790926 /nfs/dbraw/zinc/79/09/26/972790926.db2.gz SNOZIVBUGSSZPK-RDBSUJKOSA-N 2 0 239.407 1.435 20 0 BDADRP Cc1ccc(C[C@@H](C)[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001246560748 972791165 /nfs/dbraw/zinc/79/11/65/972791165.db2.gz SWQVAIVRGVJQGO-BPLDGKMQSA-N 2 0 248.370 1.320 20 0 BDADRP C[NH+](C)Cc1ccc(NCC(C)(C)[NH3+])nc1 ZINC001171190796 972838299 /nfs/dbraw/zinc/83/82/99/972838299.db2.gz BLRCVRKQIHKLAE-UHFFFAOYSA-N 2 0 222.336 1.292 20 0 BDADRP C[C@H]1C[N@@H+](C2CC[NH2+]CC2)CCC[C@H]1C[NH3+] ZINC001246570763 972845253 /nfs/dbraw/zinc/84/52/53/972845253.db2.gz VJOFQHFFTRSHNG-RYUDHWBXSA-N 3 0 225.380 1.045 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@@H+]([C@H]2CCSC2)CC1 ZINC001246577895 972893909 /nfs/dbraw/zinc/89/39/09/972893909.db2.gz QQTDZFMIVKABQH-RYUDHWBXSA-N 2 0 228.405 1.943 20 0 BDADRP CCCCCC[C@@H](CC)[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246579729 972915904 /nfs/dbraw/zinc/91/59/04/972915904.db2.gz GTCPLXZXBROAEL-MJBXVCDLSA-N 2 0 242.407 1.987 20 0 BDADRP CC[C@@H](C)C[C@@H](CC)[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246579875 972917109 /nfs/dbraw/zinc/91/71/09/972917109.db2.gz HMMUSGYRGBYLFM-YVECIDJPSA-N 2 0 228.380 1.453 20 0 BDADRP CC1(C)C[C@@H](N2CCCC[C@H](C[NH3+])C2)CC[NH2+]1 ZINC001246581954 972939828 /nfs/dbraw/zinc/93/98/28/972939828.db2.gz LRZIFFKFDJWGQI-OLZOCXBDSA-N 2 0 239.407 1.578 20 0 BDADRP CCCCCC[C@@H](C)[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246582472 972945407 /nfs/dbraw/zinc/94/54/07/972945407.db2.gz ZJIWXNJURGZAOU-AGIUHOORSA-N 2 0 228.380 1.597 20 0 BDADRP C[C@@H]1CC[C@@H](N2CCCC[C@](C)(C[NH3+])C2)C[NH2+]1 ZINC001246584483 972963852 /nfs/dbraw/zinc/96/38/52/972963852.db2.gz NECICLHYCQEJQO-MGPQQGTHSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@@H]1CC[C@H](N2C[C@H](C[NH3+])CC[C@H]2C)C[NH2+]1 ZINC001246587613 972977317 /nfs/dbraw/zinc/97/73/17/972977317.db2.gz HUCIJIYJAWAYTG-NDBYEHHHSA-N 2 0 225.380 1.186 20 0 BDADRP c1ccc([C@H]2C[NH2+]CCN2C2CC[NH2+]CC2)cc1 ZINC001246590950 972985179 /nfs/dbraw/zinc/98/51/79/972985179.db2.gz FAUBQRTUTBRUOF-OAHLLOKOSA-N 2 0 245.370 1.385 20 0 BDADRP CC[C@@H]1C[C@@H](N2CC(C[NH2+]C)C2)C[C@H](CC)[NH2+]1 ZINC001246594870 973003911 /nfs/dbraw/zinc/00/39/11/973003911.db2.gz FMBBIEIERLNMNG-BTTYYORXSA-N 2 0 239.407 1.447 20 0 BDADRP C1CN([C@@H]2CCCC[NH2+]C2)[C@@]2(C1)CCC[NH2+]C2 ZINC001246609262 973032601 /nfs/dbraw/zinc/03/26/01/973032601.db2.gz KYXBNZJXSFFQPK-ZIAGYGMSSA-N 2 0 237.391 1.347 20 0 BDADRP CC[C@H]1CC(N2CC3(C[NH2+]C3)C2)C[C@H](CC)[NH2+]1 ZINC001246615294 973038003 /nfs/dbraw/zinc/03/80/03/973038003.db2.gz SACDYEMLLCHWOS-RYUDHWBXSA-N 2 0 237.391 1.201 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@@H]3[NH2+]CC[C@H]31)C2 ZINC001246636125 973047866 /nfs/dbraw/zinc/04/78/66/973047866.db2.gz TXSNCEUPALNLGU-MQLXINIDSA-N 2 0 235.375 1.048 20 0 BDADRP C[C@@H]1C[C@@H](N2C[C@H]3CCC[C@@]3([NH3+])C2)C[C@H](C)[NH2+]1 ZINC001246660276 973065673 /nfs/dbraw/zinc/06/56/73/973065673.db2.gz CTJYFWWDPXBBEW-XVIXHAIJSA-N 2 0 237.391 1.329 20 0 BDADRP C1[NH2+][C@H]2C[C@@H]1N([C@@H]1CC[NH2+]C3(CCCCC3)C1)C2 ZINC001246678235 973080436 /nfs/dbraw/zinc/08/04/36/973080436.db2.gz QFVARWCPBXEPGT-MJBXVCDLSA-N 2 0 249.402 1.487 20 0 BDADRP CC[C@H]1C[N@@H+](C2CCC([NH2+]C)CC2)CCN1 ZINC001246801711 973100661 /nfs/dbraw/zinc/10/06/61/973100661.db2.gz INHDOPYPPLXFKA-HIFPTAJRSA-N 2 0 225.380 1.201 20 0 BDADRP CC1(C)C[C@@H](N2CC[NH2+]C(C)(C)C2)CC[NH2+]1 ZINC001246817319 973113875 /nfs/dbraw/zinc/11/38/75/973113875.db2.gz RGHJVJGZOFXSAO-NSHDSACASA-N 2 0 225.380 1.201 20 0 BDADRP COC(=O)[C@H]1CCC[N@H+](C2CC[NH2+]CC2)[C@@H]1C ZINC001246825096 973120722 /nfs/dbraw/zinc/12/07/22/973120722.db2.gz UCJVQJKUDVHCJW-PWSUYJOCSA-N 2 0 240.347 1.012 20 0 BDADRP CN(C1C[NH2+]C1)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246834269 973132919 /nfs/dbraw/zinc/13/29/19/973132919.db2.gz TURWHLJCQQOEEK-CMPLNLGQSA-N 2 0 225.380 1.057 20 0 BDADRP CC[C@H]1C[C@H](N2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])CC[NH2+]1 ZINC001246841074 973142832 /nfs/dbraw/zinc/14/28/32/973142832.db2.gz LXDFVNURPTYMIM-VJTDZRGJSA-N 2 0 237.391 1.186 20 0 BDADRP [NH3+][C@]12CC[C@H]1CN([C@@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)C2 ZINC001246852777 973158367 /nfs/dbraw/zinc/15/83/67/973158367.db2.gz KPBQDLGEFMCYDL-HPCHECBXSA-N 2 0 235.375 1.083 20 0 BDADRP CCOC1CCC([N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)CC1 ZINC001246860589 973183035 /nfs/dbraw/zinc/18/30/35/973183035.db2.gz NHAGWQIEPHKEEN-RYSNWHEDSA-N 2 0 238.375 1.757 20 0 BDADRP C[C@H]1C[C@@H]([N@@H+]2CCc3ccc(N)cc3C2)CC[NH2+]1 ZINC001246905449 973386282 /nfs/dbraw/zinc/38/62/82/973386282.db2.gz MJJXOBFVMVQHFO-NHYWBVRUSA-N 2 0 245.370 1.767 20 0 BDADRP C[C@H]1C[C@@H](N(C)[C@]2(C)CCC[NH2+]C2)CC[NH2+]1 ZINC001246913574 973438033 /nfs/dbraw/zinc/43/80/33/973438033.db2.gz RCCIQNUFONUSKN-RWMBFGLXSA-N 2 0 225.380 1.201 20 0 BDADRP CC[C@@H]1C[C@@H](N2C[C@H]3C[NH2+]C[C@H]32)C[C@H](CC)[NH2+]1 ZINC001246921965 973497729 /nfs/dbraw/zinc/49/77/29/973497729.db2.gz TWRBDKIIVXEAEG-RKQHYHRCSA-N 2 0 237.391 1.199 20 0 BDADRP C[NH+]1CCC(C[NH2+]C[C@@H]2CC2(C)C)CC1 ZINC000234312157 973517048 /nfs/dbraw/zinc/51/70/48/973517048.db2.gz CDALMIOZYXSUJF-LBPRGKRZSA-N 2 0 210.365 1.964 20 0 BDADRP C[C@@H]1CC(N2CCC[C@H]([NH3+])[C@H]2C)C[C@@H](C)[NH2+]1 ZINC001246937515 973636021 /nfs/dbraw/zinc/63/60/21/973636021.db2.gz IGVBREDMLXAXFM-UZWSLXQKSA-N 2 0 225.380 1.327 20 0 BDADRP CC[NH+]1C[C@@H]2C[NH+]([C@@H]3CC[NH2+][C@@H](C)C3)C[C@H]2C1 ZINC001246980688 973727191 /nfs/dbraw/zinc/72/71/91/973727191.db2.gz RQUDCGUBTPFJRG-REWJHTLYSA-N 3 0 237.391 1.010 20 0 BDADRP COCCC1(C[NH2+]CC2CC[NH+](C)CC2)CC1 ZINC000234842264 973777866 /nfs/dbraw/zinc/77/78/66/973777866.db2.gz HKMSIXVNOXKVCY-UHFFFAOYSA-N 2 0 240.391 1.735 20 0 BDADRP C1[NH2+]C[C@H]2C[C@H](N3CC[C@H]4[NH2+]CCC[C@H]4C3)C[C@@H]12 ZINC001247011803 973797209 /nfs/dbraw/zinc/79/72/09/973797209.db2.gz BTEMSCLBTGCBAM-VQJWOFKYSA-N 2 0 249.402 1.058 20 0 BDADRP COc1nccc(NC[C@H]2CCCC[NH2+]2)c1N ZINC001171329573 973829262 /nfs/dbraw/zinc/82/92/62/973829262.db2.gz KXLKQELIIFODDU-SECBINFHSA-N 2 0 236.319 1.226 20 0 BDADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CCC(C)C ZINC001148654987 973874458 /nfs/dbraw/zinc/87/44/58/973874458.db2.gz DKCFGSXPGYGDCX-UHFFFAOYSA-N 2 0 243.395 1.080 20 0 BDADRP C[n+]1cccc(NC[C@@H]2CCCC[NH2+]2)c1 ZINC001171340004 973891813 /nfs/dbraw/zinc/89/18/13/973891813.db2.gz OUSAXFHYNGWHQW-NSHDSACASA-N 2 0 206.313 1.065 20 0 BDADRP CC[N@@H+]1CC[C@H](OCCC[NH+]2CCCC2)C1 ZINC001224743605 973903667 /nfs/dbraw/zinc/90/36/67/973903667.db2.gz CQJBSXCGXDQVQO-ZDUSSCGKSA-N 2 0 226.364 1.583 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001329742966 973907592 /nfs/dbraw/zinc/90/75/92/973907592.db2.gz MUPQIRQRNPUSBI-YIYPIFLZSA-N 2 0 248.374 1.392 20 0 BDADRP CC[NH+](CC)CCO[C@@H]1C[NH+]2CCC1CC2 ZINC001224927257 974077653 /nfs/dbraw/zinc/07/76/53/974077653.db2.gz GOCQQGHJQOUGAM-CYBMUJFWSA-N 2 0 226.364 1.439 20 0 BDADRP Cc1cccc2c1CC[C@H]([NH2+][C@@H]1C[C@H]1N)C2 ZINC001171555981 974098903 /nfs/dbraw/zinc/09/89/03/974098903.db2.gz GEFSCZGSOQGIRN-IACUBPJLSA-N 2 0 216.328 1.542 20 0 BDADRP C[C@@H](O)[C@H](C)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001171554453 974099802 /nfs/dbraw/zinc/09/98/02/974099802.db2.gz HQABXWHPJAEYAI-QWHCGFSZSA-N 2 0 249.358 1.363 20 0 BDADRP C[NH+](C)CCNC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171617483 974114545 /nfs/dbraw/zinc/11/45/45/974114545.db2.gz MAVHPXTWDFHEBC-UHFFFAOYSA-N 2 0 241.423 1.789 20 0 BDADRP Cc1ccc(CC[C@H](C)[NH2+]C[C@H](O)C[NH3+])cc1 ZINC001171654969 974119227 /nfs/dbraw/zinc/11/92/27/974119227.db2.gz DBEQXIIUIUVXKH-GXTWGEPZSA-N 2 0 236.359 1.225 20 0 BDADRP CC[N@@H+]1CC[C@H](OCCCC[NH+](C)C)C1 ZINC001224992695 974123221 /nfs/dbraw/zinc/12/32/21/974123221.db2.gz SBNQBCUUFOEEDS-LBPRGKRZSA-N 2 0 214.353 1.439 20 0 BDADRP C[C@H]1C[C@H](NOCC[NH3+])C[N@@H+]1Cc1ccccc1 ZINC001171726599 974139631 /nfs/dbraw/zinc/13/96/31/974139631.db2.gz YOELVLBONYBIDD-JSGCOSHPSA-N 2 0 249.358 1.129 20 0 BDADRP N[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)CC[C@@H]1F ZINC001206153249 974254914 /nfs/dbraw/zinc/25/49/14/974254914.db2.gz CJMQIIZDJKJLEQ-RWMBFGLXSA-N 2 0 243.370 1.137 20 0 BDADRP C[N@@H+]1C[C@@H]2C[C@H]1CN2[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172126882 974349642 /nfs/dbraw/zinc/34/96/42/974349642.db2.gz ZCYCRIOTUDWTNY-QRTUWBSPSA-N 2 0 249.402 1.390 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@H]1C[C@@H](O)C1)C2 ZINC001172106198 974366471 /nfs/dbraw/zinc/36/64/71/974366471.db2.gz NKLGYSNDRFPFJO-KLLCGCCRSA-N 2 0 238.375 1.362 20 0 BDADRP C[C@@H](O)CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172113025 974373249 /nfs/dbraw/zinc/37/32/49/974373249.db2.gz DYTNPJGCWHQILX-FVCCEPFGSA-N 2 0 226.364 1.362 20 0 BDADRP CO[C@@H](C)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172112281 974377652 /nfs/dbraw/zinc/37/76/52/974377652.db2.gz VMNIDFGFNDVIIS-ZDEQEGDKSA-N 2 0 226.364 1.626 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1C[C@@H](O)[C@@H](F)C1)C2 ZINC001172116866 974385893 /nfs/dbraw/zinc/38/58/93/974385893.db2.gz DMSXHZHQTIHLJY-CKIKVBCHSA-N 2 0 242.338 1.016 20 0 BDADRP C[NH+](C)CCCCC[NH2+][C@H]1COC(C)(C)C1 ZINC001172271103 974485964 /nfs/dbraw/zinc/48/59/64/974485964.db2.gz QOWOTEUWFKVXTM-GFCCVEGCSA-N 2 0 228.380 1.875 20 0 BDADRP CC[C@H](C)OCC[C@H](C)[NH2+]C[C@H](C)C[NH3+] ZINC001172327199 974540255 /nfs/dbraw/zinc/54/02/55/974540255.db2.gz DFUYXYNSQVSYRS-WOPDTQHZSA-N 2 0 216.369 1.765 20 0 BDADRP COC(=O)[C@H](C[NH3+])C[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC001172357839 974627813 /nfs/dbraw/zinc/62/78/13/974627813.db2.gz DOPNOYRPESRANX-WRWGMCAJSA-N 2 0 242.363 1.149 20 0 BDADRP CCOCC[C@@H](C)[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001172422314 974697305 /nfs/dbraw/zinc/69/73/05/974697305.db2.gz ZDSZDSCNJKUCLO-MCIONIFRSA-N 2 0 240.391 1.685 20 0 BDADRP CC(C)([NH3+])CCNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC001331392939 974705559 /nfs/dbraw/zinc/70/55/59/974705559.db2.gz NHGWRGLGNGEGJL-GWCFXTLKSA-N 2 0 241.379 1.138 20 0 BDADRP C[C@@H]([NH2+]CCc1ccc(F)cc1F)[C@H](C)[NH3+] ZINC001331417856 974713571 /nfs/dbraw/zinc/71/35/71/974713571.db2.gz DJMLSIFJAFACCQ-DTWKUNHWSA-N 2 0 228.286 1.833 20 0 BDADRP CCOCC[C@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001172433278 974718487 /nfs/dbraw/zinc/71/84/87/974718487.db2.gz OJNWUAHFAQQYSP-RWMBFGLXSA-N 2 0 226.364 1.295 20 0 BDADRP CC[C@@H](CC(C)C)[NH+]1CCN(CC[NH3+])CC1 ZINC001172388903 974737428 /nfs/dbraw/zinc/73/74/28/974737428.db2.gz IZKABCUCWFSZTR-ZDUSSCGKSA-N 2 0 227.396 1.387 20 0 BDADRP C[N@H+](C[C@@H](O)C[NH3+])[C@@H]1CCc2c1cccc2F ZINC001331513335 974745887 /nfs/dbraw/zinc/74/58/87/974745887.db2.gz CALXSQGCZSHMCV-TVQRCGJNSA-N 2 0 238.306 1.064 20 0 BDADRP CC(C)COCC[C@@H](C)[NH2+]CCOCC[NH3+] ZINC001172458826 974823749 /nfs/dbraw/zinc/82/37/49/974823749.db2.gz BXRDBPYCWUFYMC-GFCCVEGCSA-N 2 0 232.368 1.003 20 0 BDADRP C[NH2+][C@@H](C)CC[NH2+]CC1(OC)CCCC1 ZINC001331847600 974837473 /nfs/dbraw/zinc/83/74/73/974837473.db2.gz OGXJHBKIMULNDP-NSHDSACASA-N 2 0 214.353 1.533 20 0 BDADRP [NH3+]C[C@H](O)C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172546861 974879287 /nfs/dbraw/zinc/87/92/87/974879287.db2.gz RAGGJARXKVZSDR-MCIONIFRSA-N 2 0 234.343 1.232 20 0 BDADRP C[C@H]1C[C@H]([N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)CCO1 ZINC001173174368 975054950 /nfs/dbraw/zinc/05/49/50/975054950.db2.gz SDWMYLZXZGZXJN-MJBXVCDLSA-N 2 0 238.375 1.582 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001173170095 975062404 /nfs/dbraw/zinc/06/24/04/975062404.db2.gz XSROZSUXWIDVPT-AVGNSLFASA-N 2 0 226.364 1.628 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCOC1 ZINC001332402194 975093996 /nfs/dbraw/zinc/09/39/96/975093996.db2.gz PWUNUHXFEVIAJW-JGGZEWDASA-N 2 0 224.348 1.128 20 0 BDADRP CC[C@H]1CC[C@@H]([NH2+]CCOCC[NH3+])C1 ZINC001173266911 975133177 /nfs/dbraw/zinc/13/31/77/975133177.db2.gz OOILVMPQXXJOTD-WDEREUQCSA-N 2 0 200.326 1.130 20 0 BDADRP CC[C@H]1CC[C@H]([NH+]2CCN(CC[NH3+])CC2)C1 ZINC001173268621 975134927 /nfs/dbraw/zinc/13/49/27/975134927.db2.gz ZEXTUONBPFMEDD-STQMWFEESA-N 2 0 225.380 1.141 20 0 BDADRP CC[C@H]1CC[C@H](NC(=[NH2+])SCC[NH3+])C1 ZINC001173267585 975135482 /nfs/dbraw/zinc/13/54/82/975135482.db2.gz SUKSOYWQWYVBJO-IUCAKERBSA-N 2 0 215.366 1.781 20 0 BDADRP CC[N@@H+]1CC[C@H](n2cnc3ccc(C[NH3+])cc32)C1 ZINC001173349614 975290695 /nfs/dbraw/zinc/29/06/95/975290695.db2.gz BXJYWXUQPKQHFR-LBPRGKRZSA-N 2 0 244.342 1.762 20 0 BDADRP CC[N@@H+]1CC[C@H](n2ncc3cccc(C[NH3+])c32)C1 ZINC001173349618 975292453 /nfs/dbraw/zinc/29/24/53/975292453.db2.gz BYGRCRITFYARLG-ZDUSSCGKSA-N 2 0 244.342 1.762 20 0 BDADRP CCN1CC[C@@H]([NH2+][C@H]2CCN(CC(C)C)C2)C1 ZINC001173353642 975306751 /nfs/dbraw/zinc/30/67/51/975306751.db2.gz QAEZCBPUICXOON-KGLIPLIRSA-N 2 0 239.407 1.401 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC001332880240 975308193 /nfs/dbraw/zinc/30/81/93/975308193.db2.gz VVGZLBXHWXIEOD-YQFOFLOKSA-N 2 0 249.402 1.090 20 0 BDADRP CC[N@@H+]1CC[C@H](Nc2ccc(C[NH2+]C)cc2)C1 ZINC001173359779 975327481 /nfs/dbraw/zinc/32/74/81/975327481.db2.gz ACNIMIKFFORYMY-AWEZNQCLSA-N 2 0 233.359 1.912 20 0 BDADRP CC[N@@H+]1CC[C@H](N2CCC[C@H]3C[NH+](C)C[C@@H]32)C1 ZINC001173366099 975347025 /nfs/dbraw/zinc/34/70/25/975347025.db2.gz WKHNJRAMNNHFQD-IHRRRGAJSA-N 2 0 237.391 1.107 20 0 BDADRP CC[N@@H+]1CC[C@@H](n2ccc3c2CC[NH2+]C3)C1 ZINC001173366980 975352881 /nfs/dbraw/zinc/35/28/81/975352881.db2.gz CUTIXAZJYQNVOE-GFCCVEGCSA-N 2 0 219.332 1.401 20 0 BDADRP CC[N@@H+]1CC[C@H](N2CCC([NH+]3CCC3)CC2)C1 ZINC001173374707 975364433 /nfs/dbraw/zinc/36/44/33/975364433.db2.gz MKAPHSCIZHHPHA-AWEZNQCLSA-N 2 0 237.391 1.251 20 0 BDADRP C([C@H]1CCC[NH2+]C1)[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC001333623271 975897907 /nfs/dbraw/zinc/89/79/07/975897907.db2.gz YCOZTDIFYGCANM-KBPBESRZSA-N 2 0 238.375 1.489 20 0 BDADRP CCC[NH2+]CCNCc1cccc2c1CC[NH2+]C2 ZINC001334053761 976254842 /nfs/dbraw/zinc/25/48/42/976254842.db2.gz AOPHNTRBKDUSGU-UHFFFAOYSA-N 2 0 247.386 1.422 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@H]2CCc3c[nH]nc3C2)CC1 ZINC001334982393 976813222 /nfs/dbraw/zinc/81/32/22/976813222.db2.gz ODCLHLSLFFHXFU-CYBMUJFWSA-N 2 0 248.374 1.198 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)C2CC2)C1 ZINC001335350878 976989629 /nfs/dbraw/zinc/98/96/29/976989629.db2.gz LHPYEWRMZGMFLX-AAEUAGOBSA-N 2 0 226.364 1.077 20 0 BDADRP C[N@@H+]1CCC[C@@H](Oc2ccc3[nH]c(N)[nH+]c3c2)C1 ZINC001230508848 977228999 /nfs/dbraw/zinc/22/89/99/977228999.db2.gz XVHOBXBSVDUBQX-SNVBAGLBSA-N 2 0 246.314 1.618 20 0 BDADRP C[C@@H](CCNc1ccnc(N)n1)[NH+]1CCCCC1 ZINC001336577832 977790104 /nfs/dbraw/zinc/79/01/04/977790104.db2.gz QXBOLJCBFLOIKI-NSHDSACASA-N 2 0 249.362 1.735 20 0 BDADRP CC1(O)CC[NH+](Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001232011762 977837488 /nfs/dbraw/zinc/83/74/88/977837488.db2.gz OTAURHIUQZTYBG-UHFFFAOYSA-N 2 0 245.326 1.910 20 0 BDADRP C[C@H]1C[C@@H](CO)[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232012219 977839520 /nfs/dbraw/zinc/83/95/20/977839520.db2.gz WHZWCKJULLIFPQ-GWCFXTLKSA-N 2 0 245.326 1.766 20 0 BDADRP OC[C@@H]1CCC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232011139 977840282 /nfs/dbraw/zinc/84/02/82/977840282.db2.gz HKSYBEVSKSQGRG-LLVKDONJSA-N 2 0 245.326 1.767 20 0 BDADRP CO[C@H]1CC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232011770 977840389 /nfs/dbraw/zinc/84/03/89/977840389.db2.gz OYNGTYHIKURUCF-LBPRGKRZSA-N 2 0 231.299 1.784 20 0 BDADRP CN(Cc1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@H+](C)C1 ZINC001232014576 977845309 /nfs/dbraw/zinc/84/53/09/977845309.db2.gz RBVYNRSGKGRUEU-CYBMUJFWSA-N 2 0 244.342 1.699 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](CNc2nccnc2C[NH3+])C1 ZINC001337009086 978125256 /nfs/dbraw/zinc/12/52/56/978125256.db2.gz LTCJRNAIXWRFJT-NSHDSACASA-N 2 0 249.362 1.078 20 0 BDADRP CC[NH+](CC)C[C@H](C)OCCC[NH+](C)C ZINC001206285233 978198516 /nfs/dbraw/zinc/19/85/16/978198516.db2.gz DBVDDZWFOOBNGQ-LBPRGKRZSA-N 2 0 216.369 1.685 20 0 BDADRP CC[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH+](C)C2)C1 ZINC000328202061 978207974 /nfs/dbraw/zinc/20/79/74/978207974.db2.gz SEEPTPOQGYXJDX-STQMWFEESA-N 2 0 225.380 1.012 20 0 BDADRP C[NH+]1CC2(C1)CCCN(c1cc[nH+]cc1)C2 ZINC001277695422 978209119 /nfs/dbraw/zinc/20/91/19/978209119.db2.gz YXWLCDBIDGZDHO-UHFFFAOYSA-N 2 0 217.316 1.614 20 0 BDADRP CC[N@@H+]1CC[C@H](OCCC[NH+](C)C)C1 ZINC001206286699 978222282 /nfs/dbraw/zinc/22/22/82/978222282.db2.gz NFMYRMBCZJMEEZ-NSHDSACASA-N 2 0 200.326 1.049 20 0 BDADRP C[NH+](C)CCCO[C@@H]1CCC[N@H+](C)C1 ZINC001206287641 978254340 /nfs/dbraw/zinc/25/43/40/978254340.db2.gz SLDWSUSWZKHXCV-LLVKDONJSA-N 2 0 200.326 1.049 20 0 BDADRP COCCCC[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206293088 978296547 /nfs/dbraw/zinc/29/65/47/978296547.db2.gz GBTUENZPRZXLMA-CYBMUJFWSA-N 2 0 228.380 1.864 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@H+](C[C@@H]2CCCOC2)CC1 ZINC001206297507 978315188 /nfs/dbraw/zinc/31/51/88/978315188.db2.gz YTJRDHZEMUPKGW-KBPBESRZSA-N 2 0 240.391 1.864 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cnc(N)nc2)CC1 ZINC001206303129 978347756 /nfs/dbraw/zinc/34/77/56/978347756.db2.gz BMDIEVBZWMPHDM-CYBMUJFWSA-N 2 0 249.362 1.010 20 0 BDADRP Cn1nccc1C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206305102 978383526 /nfs/dbraw/zinc/38/35/26/978383526.db2.gz SYVJKWADUXTICH-ZDUSSCGKSA-N 2 0 236.363 1.371 20 0 BDADRP CC[N@@H+]1CCC[C@@H](OCC[NH+]2CCCC2)C1 ZINC001206309166 978419831 /nfs/dbraw/zinc/41/98/31/978419831.db2.gz LSGONFIOLPKLBC-CYBMUJFWSA-N 2 0 226.364 1.583 20 0 BDADRP Cn1c[nH+]cc1N1CC2(CC[N@@H+]2C2CCCC2)C1 ZINC001277769412 978472789 /nfs/dbraw/zinc/47/27/89/978472789.db2.gz BQEXRTPUHGPLFO-UHFFFAOYSA-N 2 0 246.358 1.627 20 0 BDADRP Cc1ncc(C[NH+]2CCC3(C[NH+](C)C3)CC2)o1 ZINC001233367825 978580309 /nfs/dbraw/zinc/58/03/09/978580309.db2.gz HILRTRWFDDDAKK-UHFFFAOYSA-N 2 0 235.331 1.511 20 0 BDADRP CC(C)CC[C@H](O)C[NH2+]C[C@H](C)C[NH+](C)C ZINC001338476054 978688167 /nfs/dbraw/zinc/68/81/67/978688167.db2.gz VFGNTQUNFNOQBF-STQMWFEESA-N 2 0 230.396 1.571 20 0 BDADRP C[C@@H]1C[N@H+](CCCNc2cc[nH+]cc2)CCCO1 ZINC001339458347 978855952 /nfs/dbraw/zinc/85/59/52/978855952.db2.gz IBDHJYIEEBIOQW-CYBMUJFWSA-N 2 0 249.358 1.416 20 0 BDADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C1CCOCC1 ZINC000151002417 978883266 /nfs/dbraw/zinc/88/32/66/978883266.db2.gz NUTMFSDZYMKIAR-CYBMUJFWSA-N 2 0 244.379 1.112 20 0 BDADRP CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC000722160168 978905127 /nfs/dbraw/zinc/90/51/27/978905127.db2.gz TUDHYWXUULSLLH-RYUDHWBXSA-N 2 0 243.395 1.221 20 0 BDADRP [NH3+]Cc1ccc(CN2C[C@H]([NH3+])C[C@H](F)C2)cc1 ZINC001206425547 978928874 /nfs/dbraw/zinc/92/88/74/978928874.db2.gz WNGMYHWIROSQOR-QWHCGFSZSA-N 2 0 237.322 1.016 20 0 BDADRP C(CN1CC[C@@]2(CC[NH2+]C2)C1)[C@H]1CCCC[NH2+]1 ZINC001235032476 978954844 /nfs/dbraw/zinc/95/48/44/978954844.db2.gz QGZORMIQVQCPMQ-ZIAGYGMSSA-N 2 0 237.391 1.204 20 0 BDADRP C(CN1CC[C@@]2(CC[NH2+]C2)C1)[C@@H]1CCCC[NH2+]1 ZINC001235032474 978956225 /nfs/dbraw/zinc/95/62/25/978956225.db2.gz QGZORMIQVQCPMQ-UONOGXRCSA-N 2 0 237.391 1.204 20 0 BDADRP OCCCC[N@@H+]1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001235092060 978973952 /nfs/dbraw/zinc/97/39/52/978973952.db2.gz WOINGYPHNWILMS-NSHDSACASA-N 2 0 248.317 1.080 20 0 BDADRP CC[C@@H]([NH3+])CN1CCC2(CC[NH2+]CC2)CC1 ZINC001235136500 978981178 /nfs/dbraw/zinc/98/11/78/978981178.db2.gz ZGECKNGKJRQCGL-GFCCVEGCSA-N 3 0 225.380 1.189 20 0 BDADRP CC[C@H]([NH3+])CN1CCCC[C@@]12CCC[NH2+]C2 ZINC001235172319 978990138 /nfs/dbraw/zinc/99/01/38/978990138.db2.gz LMNRNDUDKYBDSU-STQMWFEESA-N 2 0 225.380 1.332 20 0 BDADRP C(CN1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H]1CCCC[NH2+]1 ZINC001235187377 978992251 /nfs/dbraw/zinc/99/22/51/978992251.db2.gz WIXSKPOUOFWZLO-HZSPNIEDSA-N 2 0 237.391 1.060 20 0 BDADRP C(CN1C[C@H]2CCC[NH2+][C@H]2C1)C1CC[NH2+]CC1 ZINC001235209903 978997419 /nfs/dbraw/zinc/99/74/19/978997419.db2.gz UBBMPRDQPQQEFR-KGLIPLIRSA-N 2 0 237.391 1.060 20 0 BDADRP COCC[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235232406 979000261 /nfs/dbraw/zinc/00/02/61/979000261.db2.gz IESYSFFJBCANOJ-CYBMUJFWSA-N 2 0 226.364 1.487 20 0 BDADRP CN(C)CC[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235233410 979002237 /nfs/dbraw/zinc/00/22/37/979002237.db2.gz PPIQJVJEJVHMEX-CQSZACIVSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)c1ccc(CC[NH3+])cc1 ZINC001340401974 979018594 /nfs/dbraw/zinc/01/85/94/979018594.db2.gz UPIXCXHRWQBNFB-WDEREUQCSA-N 2 0 249.358 1.043 20 0 BDADRP [NH3+][C@H]1C[C@@H](F)CN(Cc2cccc3c[nH+]cn32)C1 ZINC001206445281 979023167 /nfs/dbraw/zinc/02/31/67/979023167.db2.gz NZTILDDRHZFABF-MNOVXSKESA-N 2 0 248.305 1.205 20 0 BDADRP [NH3+][C@H]1CCN(CCC[NH2+]C2CCCCC2)C1 ZINC001235363515 979034253 /nfs/dbraw/zinc/03/42/53/979034253.db2.gz QUCFRAZNNXPRRP-LBPRGKRZSA-N 2 0 225.380 1.332 20 0 BDADRP OCCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235422217 979042858 /nfs/dbraw/zinc/04/28/58/979042858.db2.gz ADDZBJVROCPVJS-CHWSQXEVSA-N 2 0 226.364 1.080 20 0 BDADRP [NH3+]CCCC[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC001235673412 979112265 /nfs/dbraw/zinc/11/22/65/979112265.db2.gz GCKHDQANESNWGL-CQSZACIVSA-N 2 0 234.343 1.879 20 0 BDADRP C[N@H+](CCCC[NH3+])CCC1CC[NH2+]CC1 ZINC001235713753 979131907 /nfs/dbraw/zinc/13/19/07/979131907.db2.gz FPRDCYFCIKSLHV-UHFFFAOYSA-N 3 0 213.369 1.047 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCC[C@@H](C(F)F)C1 ZINC001235811587 979159028 /nfs/dbraw/zinc/15/90/28/979159028.db2.gz SLIHKLVFWAVCEQ-SECBINFHSA-N 2 0 206.280 1.702 20 0 BDADRP CC1(C)CN(C[C@@H]([NH3+])c2ccccc2)CC[NH2+]1 ZINC001235832803 979162632 /nfs/dbraw/zinc/16/26/32/979162632.db2.gz HABJKJOEVRBVDE-CYBMUJFWSA-N 2 0 233.359 1.370 20 0 BDADRP CC1=CC[C@@H](CCN(CC[NH3+])CC[NH3+])C1(C)C ZINC001235874438 979171489 /nfs/dbraw/zinc/17/14/89/979171489.db2.gz JKFCBUODFVVIGA-ZDUSSCGKSA-N 2 0 239.407 1.588 20 0 BDADRP C[NH2+]CCCN1CC[NH2+][C@H](c2ccccc2)C1 ZINC001235860751 979172698 /nfs/dbraw/zinc/17/26/98/979172698.db2.gz WSCJERDKCNKTAS-AWEZNQCLSA-N 2 0 233.359 1.242 20 0 BDADRP CCCCc1ccc(CN(CC[NH3+])CC[NH3+])cc1 ZINC001235878520 979176484 /nfs/dbraw/zinc/17/64/84/979176484.db2.gz ZTTBNSOSIPJPSL-UHFFFAOYSA-N 2 0 249.402 1.749 20 0 BDADRP Cc1c2ccccc2[nH]c1CN(CC[NH3+])CC[NH3+] ZINC001235877586 979177825 /nfs/dbraw/zinc/17/78/25/979177825.db2.gz RPRXLRPDEKBARK-UHFFFAOYSA-N 2 0 246.358 1.196 20 0 BDADRP Cc1ccc([C@@H](C)CCN(CC[NH3+])CC[NH3+])o1 ZINC001235877135 979178539 /nfs/dbraw/zinc/17/85/39/979178539.db2.gz LBSBISDOOODJIL-NSHDSACASA-N 2 0 239.363 1.301 20 0 BDADRP C[C@H]1CC[C@H]([NH3+])CN1Cc1ccc2c(c1)CCN2 ZINC001235907680 979204790 /nfs/dbraw/zinc/20/47/90/979204790.db2.gz SFVLWEWFMAUWMG-FZMZJTMJSA-N 2 0 245.370 1.966 20 0 BDADRP C(CN1CC2(C1)CCCC[NH2+]2)[C@H]1CCC[NH2+]C1 ZINC001235922250 979208593 /nfs/dbraw/zinc/20/85/93/979208593.db2.gz DOPQZNJQXBMRRJ-CYBMUJFWSA-N 2 0 237.391 1.204 20 0 BDADRP C(CN1CC2(C1)CCCC[NH2+]2)C1CC[NH2+]CC1 ZINC001235924844 979209110 /nfs/dbraw/zinc/20/91/10/979209110.db2.gz ZTGLAUDJJUHWKY-UHFFFAOYSA-N 2 0 237.391 1.204 20 0 BDADRP CCN(C[C@H]([NH3+])Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC001235970699 979237427 /nfs/dbraw/zinc/23/74/27/979237427.db2.gz PZYOWYFVUMETME-CABCVRRESA-N 2 0 247.386 1.240 20 0 BDADRP C[NH2+]CCN(C(=O)c1cccc(C[NH3+])c1)C(C)C ZINC001341125527 979245190 /nfs/dbraw/zinc/24/51/90/979245190.db2.gz CTQPLDHIADCUNN-UHFFFAOYSA-N 2 0 249.358 1.215 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)CC1 ZINC001235979613 979252132 /nfs/dbraw/zinc/25/21/32/979252132.db2.gz NSAATXPBAFLOMY-KGLIPLIRSA-N 2 0 237.391 1.141 20 0 BDADRP C[NH+]1CCC(CCN2C[C@@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001235979949 979253970 /nfs/dbraw/zinc/25/39/70/979253970.db2.gz OTYZCYZXWTVJLR-UONOGXRCSA-N 2 0 237.391 1.141 20 0 BDADRP [NH3+]Cc1cccc(C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC001341236822 979287832 /nfs/dbraw/zinc/28/78/32/979287832.db2.gz MZHGIBYWLIJGJQ-YPMHNXCESA-N 2 0 247.342 1.003 20 0 BDADRP Cc1ccccc1C[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235993616 979287949 /nfs/dbraw/zinc/28/79/49/979287949.db2.gz SICGSZDTOZNFRT-YIONKMFJSA-N 2 0 246.354 1.401 20 0 BDADRP CCN(Cc1ccc(C[NH3+])cc1)[C@@H]1CCC[NH2+]C1 ZINC001236009448 979297811 /nfs/dbraw/zinc/29/78/11/979297811.db2.gz YZEUSVUPNDYBOH-OAHLLOKOSA-N 2 0 247.386 1.719 20 0 BDADRP C[C@@H]1C[C@H](N)C[N@H+](CCC2CC[NH2+]CC2)C1 ZINC001236043929 979335648 /nfs/dbraw/zinc/33/56/48/979335648.db2.gz GGUATBGBFSUROS-YPMHNXCESA-N 2 0 225.380 1.045 20 0 BDADRP [NH3+]CCCCN1CCO[C@H](c2ccncc2)C1 ZINC001236071322 979358039 /nfs/dbraw/zinc/35/80/39/979358039.db2.gz JEDACMIHBSCBEI-ZDUSSCGKSA-N 2 0 235.331 1.194 20 0 BDADRP CCN(CC[NH2+]C)CC1(C[NH+](C)C)CCCC1 ZINC001236142232 979406977 /nfs/dbraw/zinc/40/69/77/979406977.db2.gz BVFWTCQESQWPPW-UHFFFAOYSA-N 2 0 241.423 1.650 20 0 BDADRP CCC[C@H]1CN(C[C@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001236177031 979434854 /nfs/dbraw/zinc/43/48/54/979434854.db2.gz RATVOMKYZGMCOP-QWHCGFSZSA-N 2 0 225.380 1.202 20 0 BDADRP CCC[C@H]1C[N@H+](CC2(C)CC[NH2+]CC2)CCN1 ZINC001236176811 979436186 /nfs/dbraw/zinc/43/61/86/979436186.db2.gz GWCRXTZVTXBVKD-ZDUSSCGKSA-N 2 0 239.407 1.450 20 0 BDADRP CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+]C(C)C ZINC001277979879 979441802 /nfs/dbraw/zinc/44/18/02/979441802.db2.gz RRTFKHHFOVNEJW-GFCCVEGCSA-N 2 0 243.395 1.173 20 0 BDADRP CCC1([NH3+])CN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC001236190271 979442153 /nfs/dbraw/zinc/44/21/53/979442153.db2.gz RRWZDHQTOFLJSU-UHFFFAOYSA-N 2 0 245.370 1.255 20 0 BDADRP CCC1([NH3+])CN(Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC001236187125 979443393 /nfs/dbraw/zinc/44/33/93/979443393.db2.gz YHANQWFSHQOSKT-UHFFFAOYSA-N 2 0 231.343 1.213 20 0 BDADRP CN(CC1(C)CC[NH2+]CC1)[C@@]1(C)CCC[NH2+]C1 ZINC001236199762 979445630 /nfs/dbraw/zinc/44/56/30/979445630.db2.gz FVZBFILIRBOZEP-AWEZNQCLSA-N 2 0 239.407 1.450 20 0 BDADRP C[NH2+]C1CCC(N(C)C[C@H]2CCCC[NH2+]2)CC1 ZINC001236211987 979448221 /nfs/dbraw/zinc/44/82/21/979448221.db2.gz AZZJTBLUFOFGFN-ROKHWSDSSA-N 2 0 239.407 1.591 20 0 BDADRP CN(C[C@H]1CCC[NH2+]C1)[C@]1(C)CCC[NH2+]C1 ZINC001236201829 979449589 /nfs/dbraw/zinc/44/95/89/979449589.db2.gz NQZKYQROULAPSC-QWHCGFSZSA-N 2 0 225.380 1.060 20 0 BDADRP CN(C[C@@H]1CCCC[NH2+]1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236212476 979453270 /nfs/dbraw/zinc/45/32/70/979453270.db2.gz LXUKCERODHMOHN-RWMBFGLXSA-N 2 0 225.380 1.330 20 0 BDADRP CN(C[C@@H]1CCC[NH2+]C1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236215811 979455656 /nfs/dbraw/zinc/45/56/56/979455656.db2.gz YEEXRTZQAUKIFO-JHJVBQTASA-N 2 0 225.380 1.188 20 0 BDADRP [NH3+]C[C@H]1CCCN1Cc1ccc2c(c1)CCCN2 ZINC001236251398 979473680 /nfs/dbraw/zinc/47/36/80/979473680.db2.gz SWCDOTYVIRHRRK-CQSZACIVSA-N 2 0 245.370 1.968 20 0 BDADRP C[NH+]1CCC(C[NH2+]CC[C@H]2CC2(F)F)CC1 ZINC000691615548 979474236 /nfs/dbraw/zinc/47/42/36/979474236.db2.gz LNGBIPDHZGZXCH-NSHDSACASA-N 2 0 232.318 1.963 20 0 BDADRP CC(C)[C@@H]([NH3+])C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC001341606508 979488704 /nfs/dbraw/zinc/48/87/04/979488704.db2.gz CGXBXKLCVMLUCW-LLVKDONJSA-N 2 0 243.395 1.016 20 0 BDADRP C[C@H]1C[C@H]1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314180 979525049 /nfs/dbraw/zinc/52/50/49/979525049.db2.gz JOEQXDDKJFUGTH-RVMXOQNASA-N 2 0 208.349 1.574 20 0 BDADRP CSCCC[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314009 979526308 /nfs/dbraw/zinc/52/63/08/979526308.db2.gz FIUWINSBRJWHEV-TXEJJXNPSA-N 2 0 228.405 1.671 20 0 BDADRP CCc1n[nH]cc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321998 979531935 /nfs/dbraw/zinc/53/19/35/979531935.db2.gz ZOMONMUNRGLWOY-TXEJJXNPSA-N 2 0 248.374 1.404 20 0 BDADRP Oc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)nc1 ZINC001236321660 979532091 /nfs/dbraw/zinc/53/20/91/979532091.db2.gz KGMSGDIDMWQAHA-TXEJJXNPSA-N 2 0 247.342 1.219 20 0 BDADRP Cc1cnc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)nc1 ZINC001236320450 979533856 /nfs/dbraw/zinc/53/38/56/979533856.db2.gz HDDYSKJGSLSNHF-BETUJISGSA-N 2 0 246.358 1.216 20 0 BDADRP C[C@@H]([NH3+])CN(C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236374137 979571937 /nfs/dbraw/zinc/57/19/37/979571937.db2.gz PFZRQQHIMQINSQ-CHWSQXEVSA-N 2 0 239.407 1.578 20 0 BDADRP CCN(C[C@@H]1CC[NH2+]C1)C[C@H]1CCCC[NH2+]1 ZINC001236407578 979582587 /nfs/dbraw/zinc/58/25/87/979582587.db2.gz HLNXCUGZLNIRJX-CHWSQXEVSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@@H]1[C@@H]([NH3+])CCCN1C[C@@H]([NH3+])c1ccccc1 ZINC001236413555 979586728 /nfs/dbraw/zinc/58/67/28/979586728.db2.gz GJDQROWRCXUCSZ-KWCYVHTRSA-N 2 0 233.359 1.498 20 0 BDADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC001341893136 979586963 /nfs/dbraw/zinc/58/69/63/979586963.db2.gz JNZOGOBWUVLUES-WHOHXGKFSA-N 2 0 241.379 1.136 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCCN1CC1(C)CC[NH2+]CC1 ZINC001236416341 979592167 /nfs/dbraw/zinc/59/21/67/979592167.db2.gz SUTBFJIHUSZERL-VXGBXAGGSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@H]1CN(Cc2ccc3c(c2)C[NH2+]C3)C[C@H](C)[NH2+]1 ZINC001236425340 979594055 /nfs/dbraw/zinc/59/40/55/979594055.db2.gz TZZFEJXEESOXFW-RYUDHWBXSA-N 2 0 245.370 1.472 20 0 BDADRP C[C@H]1CN(Cc2cccc(C[NH3+])c2)C[C@H](C)[NH2+]1 ZINC001236423588 979597338 /nfs/dbraw/zinc/59/73/38/979597338.db2.gz AVZDKRSMKYZYGF-RYUDHWBXSA-N 2 0 233.359 1.328 20 0 BDADRP CCOC(=O)C[N@H+](CCCC[NH3+])C1CCCC1 ZINC001236438553 979600822 /nfs/dbraw/zinc/60/08/22/979600822.db2.gz ZZAXPMIWJTWKSR-UHFFFAOYSA-N 2 0 242.363 1.533 20 0 BDADRP CC[NH+]1CCC(C[N@H+]2C[C@@H](C)N[C@@H](C)C2)CC1 ZINC001236576500 979625761 /nfs/dbraw/zinc/62/57/61/979625761.db2.gz LMMKOWKYAHRJRO-BETUJISGSA-N 2 0 239.407 1.401 20 0 BDADRP [NH3+][C@H](CCC(=O)N[C@@H]1C[C@H]([NH3+])C1)c1ccccc1 ZINC001342073508 979651561 /nfs/dbraw/zinc/65/15/61/979651561.db2.gz LRICGPLRWZJXDW-FRRDWIJNSA-N 2 0 247.342 1.073 20 0 BDADRP C[NH2+]CCCN(C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236584527 979666831 /nfs/dbraw/zinc/66/68/31/979666831.db2.gz HPPGVNFZSZGYNP-LBPRGKRZSA-N 2 0 225.380 1.060 20 0 BDADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC001342161759 979684084 /nfs/dbraw/zinc/68/40/84/979684084.db2.gz YRGQPECMSUKHGD-BJDJZHNGSA-N 2 0 241.379 1.088 20 0 BDADRP CC[C@H]([NH3+])CN([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236646816 979687028 /nfs/dbraw/zinc/68/70/28/979687028.db2.gz IQEBICIWUMLLTF-JSGCOSHPSA-N 2 0 239.407 1.720 20 0 BDADRP C[NH2+]CCCN([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236649790 979690078 /nfs/dbraw/zinc/69/00/78/979690078.db2.gz ZNYCKYOWDONEKG-CQSZACIVSA-N 2 0 239.407 1.593 20 0 BDADRP C[C@@H]1CC[C@@H](NC(=O)C[C@H]([NH3+])C(C)(C)C)C[NH2+]1 ZINC001342230212 979719854 /nfs/dbraw/zinc/71/98/54/979719854.db2.gz YTPYRRINYZCHAS-MXWKQRLJSA-N 2 0 241.379 1.007 20 0 BDADRP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ccnc(N)c2)C1 ZINC001206556236 979721461 /nfs/dbraw/zinc/72/14/61/979721461.db2.gz PEQSKJNZHMUYDD-AWEZNQCLSA-N 2 0 248.374 1.615 20 0 BDADRP C[C@@H](C(=O)N(C)CC(C)(C)C[NH+](C)C)[C@H](C)[NH3+] ZINC001342276397 979750179 /nfs/dbraw/zinc/75/01/79/979750179.db2.gz UTQOHNPXYANOAA-MNOVXSKESA-N 2 0 243.395 1.016 20 0 BDADRP CC[C@H]([NH3+])C[N@H+](C)CCCC(C)(C)OC(C)=O ZINC001236860589 979763995 /nfs/dbraw/zinc/76/39/95/979763995.db2.gz RMNDHYDMGDVQCM-LBPRGKRZSA-N 2 0 244.379 1.777 20 0 BDADRP C[NH2+]CCN1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236951177 979796843 /nfs/dbraw/zinc/79/68/43/979796843.db2.gz VJDVLSMWWSKEEN-UHFFFAOYSA-N 2 0 239.407 1.308 20 0 BDADRP C1=C2[NH2+]CCN(CC[C@H]3CCCC[NH2+]3)[C@H]2CCC1 ZINC001237220502 979850637 /nfs/dbraw/zinc/85/06/37/979850637.db2.gz RQVJFZFKLINPCZ-HIFRSBDPSA-N 2 0 249.402 1.860 20 0 BDADRP [NH3+]CCN1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001237275893 979858189 /nfs/dbraw/zinc/85/81/89/979858189.db2.gz ROWIWGGCRGMYGT-UHFFFAOYSA-N 2 0 245.370 1.082 20 0 BDADRP CSC[C@@H](CCO)[NH2+]CC1CC[NH+](C)CC1 ZINC001342961577 979959342 /nfs/dbraw/zinc/95/93/42/979959342.db2.gz TZOBZLGIXWPFEZ-GFCCVEGCSA-N 2 0 246.420 1.032 20 0 BDADRP CC[NH+](CC)CC[C@H](C)NC1CC[NH+](C)CC1 ZINC001184417337 980080679 /nfs/dbraw/zinc/08/06/79/980080679.db2.gz BCXFPGUHAVACOY-ZDUSSCGKSA-N 2 0 241.423 1.791 20 0 BDADRP CC[C@@H](C)C[C@H]([NH3+])C(=O)NCC[C@@H]([NH3+])C(C)C ZINC001344056994 980327375 /nfs/dbraw/zinc/32/73/75/980327375.db2.gz BERAAWPZTFVZOX-UTUOFQBUSA-N 2 0 243.395 1.240 20 0 BDADRP C[NH+](C)CCCn1cc(Nc2cc[nH+]cc2)cn1 ZINC001186848782 980447740 /nfs/dbraw/zinc/44/77/40/980447740.db2.gz YQEITPGJCATZRS-UHFFFAOYSA-N 2 0 245.330 1.395 20 0 BDADRP c1nc(C[NH2+]C2CCCC2)c2n1CCC[NH2+]C2 ZINC001239333749 980540675 /nfs/dbraw/zinc/54/06/75/980540675.db2.gz RBEOHJRWAVQGEC-UHFFFAOYSA-N 2 0 234.347 1.409 20 0 BDADRP C[C@]1(CO)CCC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC001345159166 980569074 /nfs/dbraw/zinc/56/90/74/980569074.db2.gz CRRPWARGEOOJAP-KBPBESRZSA-N 2 0 240.391 1.471 20 0 BDADRP C[NH2+][C@H](C)CCN[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC001345481471 980617970 /nfs/dbraw/zinc/61/79/70/980617970.db2.gz CFIUKDADVANOFW-NQBHXWOUSA-N 2 0 225.380 1.057 20 0 BDADRP CCc1nc(C)c(C[N@@H+]2C[C@H](C)[C@H](O)C2)[nH]1 ZINC001203235707 980851904 /nfs/dbraw/zinc/85/19/04/980851904.db2.gz XOZSIILNFPRQGZ-GZMMTYOYSA-N 2 0 223.320 1.093 20 0 BDADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cncs2)CC1 ZINC001205545999 980945132 /nfs/dbraw/zinc/94/51/32/980945132.db2.gz OGVCXOPBORPQQB-LLVKDONJSA-N 2 0 243.351 1.796 20 0 BDADRP C[C@@H]1CCN(C[C@@H]2CCCC[NH2+]2)CC[C@@H]1C[NH3+] ZINC001205601381 981160770 /nfs/dbraw/zinc/16/07/70/981160770.db2.gz DYVTXRILUUPASZ-MCIONIFRSA-N 2 0 239.407 1.435 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2ccnn2C)CC[C@@H]1C[NH3+] ZINC001205603011 981171185 /nfs/dbraw/zinc/17/11/85/981171185.db2.gz MQXAESKZCAYQIW-VXGBXAGGSA-N 2 0 236.363 1.227 20 0 BDADRP CC(C)(C)[NH2+]CCN1CC[C@@H]2OCCC[C@H]2C1 ZINC001348511810 981378759 /nfs/dbraw/zinc/37/87/59/981378759.db2.gz WLHHTQYWRLXRME-STQMWFEESA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2ccc(N)nc2)CC[C@H]1C[NH3+] ZINC001205638335 981395259 /nfs/dbraw/zinc/39/52/59/981395259.db2.gz MOJACHXQKLUAKC-YPMHNXCESA-N 2 0 248.374 1.471 20 0 BDADRP C[C@@]1(C[N@@H+]2CCC[C@](C)(CO)C2)CC[NH2+]C1 ZINC001349321168 981527592 /nfs/dbraw/zinc/52/75/92/981527592.db2.gz YZYXXJNPHMZJQL-OLZOCXBDSA-N 2 0 226.364 1.080 20 0 BDADRP C[C@@H](C(=O)NCCCCCC[NH3+])n1ccnc1 ZINC001349487422 981562335 /nfs/dbraw/zinc/56/23/35/981562335.db2.gz OCKHSBYKDMPGAB-NSHDSACASA-N 2 0 238.335 1.079 20 0 BDADRP C[NH+](C)Cc1cccc(C2=CCC[NH2+]C2)n1 ZINC001240656535 981566696 /nfs/dbraw/zinc/56/66/96/981566696.db2.gz DTKLJIXMRJCKKF-UHFFFAOYSA-N 2 0 217.316 1.520 20 0 BDADRP c1cc(C[NH2+][C@H]2CCOC2)c2c(c1)C[NH2+]CC2 ZINC001580889488 981719886 /nfs/dbraw/zinc/71/98/86/981719886.db2.gz BDZIPMSPFRHLIC-ZDUSSCGKSA-N 2 0 232.327 1.211 20 0 BDADRP c1cnc([C@@H]2CC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)nc1 ZINC001580896938 981731312 /nfs/dbraw/zinc/73/13/12/981731312.db2.gz YPJPKVZNBFRJTM-QWHCGFSZSA-N 2 0 246.358 1.266 20 0 BDADRP c1cn2c(n1)[C@H]([NH2+]C[C@@H]1CCC[NH2+]CC1)CC2 ZINC001580896737 981732051 /nfs/dbraw/zinc/73/20/51/981732051.db2.gz PJWKXLHIZRRLBR-VXGBXAGGSA-N 2 0 234.347 1.307 20 0 BDADRP [NH3+]C[C@@]1(O)CCCC[N@H+](CCC2CCCC2)C1 ZINC001205662955 981770140 /nfs/dbraw/zinc/77/01/40/981770140.db2.gz GGEIIKTZLFQRHH-AWEZNQCLSA-N 2 0 240.391 1.742 20 0 BDADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H](C)CC[NH+](C)C ZINC001585149456 981909816 /nfs/dbraw/zinc/90/98/16/981909816.db2.gz FOAKLQZCCABEKS-RYUDHWBXSA-N 2 0 243.395 1.031 20 0 BDADRP C[NH+](C)Cc1cccc(C=C2CC[NH2+]CC2)n1 ZINC001240874904 981918235 /nfs/dbraw/zinc/91/82/35/981918235.db2.gz FBEYXMIKMMMLQZ-UHFFFAOYSA-N 2 0 231.343 1.910 20 0 BDADRP C(c1cccnc1OC1C[NH2+]C1)=C1CC[NH2+]CC1 ZINC001240877425 981929406 /nfs/dbraw/zinc/92/94/06/981929406.db2.gz JPIIEFOXZZZTLO-UHFFFAOYSA-N 2 0 245.326 1.199 20 0 BDADRP [NH3+]CCCCC[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205763238 982414979 /nfs/dbraw/zinc/41/49/79/982414979.db2.gz OYWNWYHYUMTBNA-JTQLQIEISA-N 3 0 235.322 1.031 20 0 BDADRP C[N@H+]1CC=C(c2ccnc(C[NH3+])c2)CC1 ZINC001241328001 982487878 /nfs/dbraw/zinc/48/78/78/982487878.db2.gz VHXOUQKUGSTEPV-UHFFFAOYSA-N 2 0 203.289 1.259 20 0 BDADRP C[C@@H]1CC[C@H](C[NH3+])N(C[C@H]2CCC[NH2+]C2)C1 ZINC001205805071 982566332 /nfs/dbraw/zinc/56/63/32/982566332.db2.gz PYVREHPSNUHMMW-FRRDWIJNSA-N 2 0 225.380 1.045 20 0 BDADRP [NH3+]C[C@]12CC[C@H]1CCCN2C[C@H]1CCC[NH2+]C1 ZINC001352776500 982570489 /nfs/dbraw/zinc/57/04/89/982570489.db2.gz DEALFCXJKVWMEG-BFHYXJOUSA-N 2 0 237.391 1.189 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC001352791639 982582543 /nfs/dbraw/zinc/58/25/43/982582543.db2.gz YSRGAKQNLYAIRV-LLVKDONJSA-N 3 0 221.348 1.090 20 0 BDADRP C[C@H]([NH3+])c1ccc(C2=CCC[N@H+](C)C2)cn1 ZINC001241572272 982826845 /nfs/dbraw/zinc/82/68/45/982826845.db2.gz RMCULDRRAYHQKX-JTQLQIEISA-N 2 0 217.316 1.820 20 0 BDADRP CC1(C)[C@H](NC(=O)c2ccccc2C[NH3+])C[C@@H]1[NH3+] ZINC001353929147 983087693 /nfs/dbraw/zinc/08/76/93/983087693.db2.gz RHUWTOVTLQQHIT-NWDGAFQWSA-N 2 0 247.342 1.001 20 0 BDADRP CCC[C@@H](C)C[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001201552085 983305926 /nfs/dbraw/zinc/30/59/26/983305926.db2.gz JFXAAOWGESIPRI-CQSZACIVSA-N 2 0 241.423 1.602 20 0 BDADRP CCCC[NH+]1CCN(CC[NH+](CC)CC)CC1 ZINC001201700563 983411712 /nfs/dbraw/zinc/41/17/12/983411712.db2.gz QQSVWWCXWRNODT-UHFFFAOYSA-N 2 0 241.423 1.746 20 0 BDADRP CC[N@H+](CCCSC)CCn1ccnc1 ZINC001201697615 983412819 /nfs/dbraw/zinc/41/28/19/983412819.db2.gz KBSRTHFHVDFJMH-UHFFFAOYSA-N 2 0 227.377 1.958 20 0 BDADRP CSCCCN(CC[NH+](C)C)CC[NH+](C)C ZINC001201690128 983439131 /nfs/dbraw/zinc/43/91/31/983439131.db2.gz WLIRJHCRILADHZ-UHFFFAOYSA-N 2 0 247.452 1.165 20 0 BDADRP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3cc[nH]n3)C[C@H]2C1 ZINC001355374928 983481854 /nfs/dbraw/zinc/48/18/54/983481854.db2.gz WCNKMRYJLALQRJ-OUCADQQQSA-N 2 0 248.374 1.572 20 0 BDADRP CCCC[C@@H](O)C[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001252106618 983645746 /nfs/dbraw/zinc/64/57/46/983645746.db2.gz AAPSBAXKTYTODH-QWHCGFSZSA-N 2 0 228.380 1.611 20 0 BDADRP [NH3+][C@@H]1CC[N@H+](CC2(c3ccccc3)CC2)C[C@H]1O ZINC001205946578 983648271 /nfs/dbraw/zinc/64/82/71/983648271.db2.gz NWLVCFKXJVBDQU-ZIAGYGMSSA-N 2 0 246.354 1.112 20 0 BDADRP [NH3+][C@@H]1CC[N@H+](Cc2cccc3[nH]ccc32)C[C@H]1O ZINC001205946156 983654383 /nfs/dbraw/zinc/65/43/83/983654383.db2.gz JDZSNOVMEUXWAO-TZMCWYRMSA-N 2 0 245.326 1.062 20 0 BDADRP CC(C)C[C@@H]([NH3+])CC(=O)Nc1ccc(C[NH3+])cc1 ZINC001357452469 983714916 /nfs/dbraw/zinc/71/49/16/983714916.db2.gz FIYBOXQIMTYXMV-GFCCVEGCSA-N 2 0 249.358 1.847 20 0 BDADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)NC(C)(C)CCC[NH3+] ZINC001357475439 983728827 /nfs/dbraw/zinc/72/88/27/983728827.db2.gz XASRGYKTGZFBEM-WDEREUQCSA-N 2 0 243.395 1.384 20 0 BDADRP CC(C)(C)[C@H](C[NH3+])NC(=O)C[C@H]([NH3+])C(C)(C)C ZINC001357618573 983747179 /nfs/dbraw/zinc/74/71/79/983747179.db2.gz HLOFRKCKVBVMHY-UWVGGRQHSA-N 2 0 243.395 1.240 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)N[C@H](C[NH3+])C(C)(C)C ZINC001357619242 983747587 /nfs/dbraw/zinc/74/75/87/983747587.db2.gz MELNFYKRLHHZNV-WDEREUQCSA-N 2 0 243.395 1.240 20 0 BDADRP COCC1(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000691832320 983815304 /nfs/dbraw/zinc/81/53/04/983815304.db2.gz WTFRCFIYIFKXAN-WDEREUQCSA-N 2 0 224.348 1.273 20 0 BDADRP [NH3+]CCCCCCC(=O)N1CC[C@H](CC[NH3+])C1 ZINC001358249917 983842911 /nfs/dbraw/zinc/84/29/11/983842911.db2.gz HJYLCTYHIXXBQN-LBPRGKRZSA-N 2 0 241.379 1.093 20 0 BDADRP CCC[NH+]1C[C@@H]2C[NH+](C[C@H]3CCOC3)C[C@H]2C1 ZINC001202530997 983876740 /nfs/dbraw/zinc/87/67/40/983876740.db2.gz YGJHOUIBSANXSD-MGPQQGTHSA-N 2 0 238.375 1.297 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCC=CO1)C1CC[NH+](C)CC1 ZINC000379966449 984064702 /nfs/dbraw/zinc/06/47/02/984064702.db2.gz HRVXNLLZCGOQSJ-OCCSQVGLSA-N 2 0 238.375 1.999 20 0 BDADRP C(C1CC1)[NH+]1CCC(N[C@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC001574794354 984114342 /nfs/dbraw/zinc/11/43/42/984114342.db2.gz DINACAOXCLUUNA-ILXRZTDVSA-N 2 0 249.402 1.343 20 0 BDADRP C1[NH2+]CC12C[C@@H]([NH2+][C@H]1CC[C@@H]3CCC[C@@H]31)CO2 ZINC001574817112 984117753 /nfs/dbraw/zinc/11/77/53/984117753.db2.gz RFSLGIXUMZQRIH-RNJOBUHISA-N 2 0 236.359 1.286 20 0 BDADRP C([C@H]1CC[NH2+]C1)[N@@H+]1CCCC[C@]12CCOC2 ZINC001574799665 984118542 /nfs/dbraw/zinc/11/85/42/984118542.db2.gz FHXHCMHTUDSGER-QWHCGFSZSA-N 2 0 224.348 1.241 20 0 BDADRP C[C@H](CCc1ccccc1)[NH2+]C[C@]1(O)CC[NH2+]C1 ZINC001575966480 984141725 /nfs/dbraw/zinc/14/17/25/984141725.db2.gz ORUCWAGHOBLKCF-HIFRSBDPSA-N 2 0 248.370 1.322 20 0 BDADRP C[C@H]([NH2+]C1CC2(C[C@@H]2[NH3+])C1)[C@H]1CCCOC1 ZINC001576239927 984161500 /nfs/dbraw/zinc/16/15/00/984161500.db2.gz UCGTVCKVEUHMHI-ZTXIBQBTSA-N 2 0 224.348 1.271 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@H]3CCN(C)[C@H]3C2)CC[NH2+]1 ZINC001576598269 984176934 /nfs/dbraw/zinc/17/69/34/984176934.db2.gz NBCNMMFCCPFLQP-SYQHCUMBSA-N 2 0 237.391 1.010 20 0 BDADRP CCC[C@H](O)C[N@@H+]1C2CCC1(C[NH3+])CC2 ZINC001577369640 984193521 /nfs/dbraw/zinc/19/35/21/984193521.db2.gz SEMQVULBJDDPDG-CXQJBGSLSA-N 2 0 212.337 1.103 20 0 BDADRP CCCC[C@@H](COC)[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC001577400924 984195719 /nfs/dbraw/zinc/19/57/19/984195719.db2.gz PJUPVGKDRPPULV-DCAQKATOSA-N 2 0 200.326 1.271 20 0 BDADRP CCOC(=O)CC(C)(C)C[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC001577939432 984201087 /nfs/dbraw/zinc/20/10/87/984201087.db2.gz IDIHKAGLVKRVRW-PHIMTYICSA-N 2 0 242.363 1.293 20 0 BDADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC001578832740 984228693 /nfs/dbraw/zinc/22/86/93/984228693.db2.gz QUDVBWWNNGTRIX-UTUOFQBUSA-N 2 0 240.347 1.060 20 0 BDADRP CO[C@@]1(C)CCC[N@H+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC001578924960 984235763 /nfs/dbraw/zinc/23/57/63/984235763.db2.gz WGJODFXKBNNELH-KGLIPLIRSA-N 2 0 240.391 1.877 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+][C@H](C)[C@](C)(OC)C1CC1 ZINC001579001816 984245311 /nfs/dbraw/zinc/24/53/11/984245311.db2.gz LXXJJDAYVJPTCV-WXHSDQCUSA-N 2 0 244.379 1.143 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+]CC1(OC)CCCCC1 ZINC001579004380 984248727 /nfs/dbraw/zinc/24/87/27/984248727.db2.gz SYRHIFKTZNBCRF-LBPRGKRZSA-N 2 0 244.379 1.289 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+][C@H]1C[C@](C)(OC)C1(C)C ZINC001579001571 984250708 /nfs/dbraw/zinc/25/07/08/984250708.db2.gz JIPLAFKQQHZILB-GVXVVHGQSA-N 2 0 244.379 1.143 20 0 BDADRP Cc1cnc(C[NH2+]C2CC3(CC([NH3+])C3)C2)o1 ZINC001579823298 984306068 /nfs/dbraw/zinc/30/60/68/984306068.db2.gz IWISRAXXOIXZNZ-UHFFFAOYSA-N 2 0 221.304 1.343 20 0 BDADRP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CCC[C@@H]1C[NH3+] ZINC001205985435 984319291 /nfs/dbraw/zinc/31/92/91/984319291.db2.gz YEZHZVVEQBTESC-TZMCWYRMSA-N 3 0 239.407 1.293 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+]CC[C@@H]1CCCCO1)C2 ZINC001580167160 984405086 /nfs/dbraw/zinc/40/50/86/984405086.db2.gz UQBGKQNTAIMPME-CMOBGSAGSA-N 2 0 224.348 1.415 20 0 BDADRP COCC[N@@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001274981052 984432059 /nfs/dbraw/zinc/43/20/59/984432059.db2.gz XMUQTZJWUGFUCY-CYBMUJFWSA-N 2 0 226.364 1.441 20 0 BDADRP C[N@H+]1C[C@@H]2CC[NH+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001275044912 984445413 /nfs/dbraw/zinc/44/54/13/984445413.db2.gz HMARQDLNUCTAQH-BETUJISGSA-N 2 0 234.347 1.183 20 0 BDADRP [NH3+]CC1(C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)CC1 ZINC001580243394 984470671 /nfs/dbraw/zinc/47/06/71/984470671.db2.gz FHDZRXUIGGBJMU-QWHCGFSZSA-N 2 0 238.375 1.112 20 0 BDADRP C[N@@H+]1CCC2(C1)CC[NH+](CC1CC1)CC2 ZINC001275137139 984503475 /nfs/dbraw/zinc/50/34/75/984503475.db2.gz PKKMQNYBNOASTI-UHFFFAOYSA-N 2 0 208.349 1.814 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)C1 ZINC001580423032 984531379 /nfs/dbraw/zinc/53/13/79/984531379.db2.gz MOKDWOPEJYVHBV-OBPIAQAESA-N 2 0 224.348 1.271 20 0 BDADRP C1=C(c2ccc(C[NH+]3CCC3)cc2)C[NH2+]C1 ZINC001243110113 984566142 /nfs/dbraw/zinc/56/61/42/984566142.db2.gz AQYUZNOKMGDQBF-UHFFFAOYSA-N 2 0 214.312 1.879 20 0 BDADRP C[N@@H+]1CCc2c(F)cc(C3=CC[NH2+]C3)cc2C1 ZINC001243116548 984586698 /nfs/dbraw/zinc/58/66/98/984586698.db2.gz UYRNBLOOGWGPCK-UHFFFAOYSA-N 2 0 232.302 1.800 20 0 BDADRP CC[NH+](CC)[C@H](C)CNC[C@@H]1COC(C)(C)[NH2+]1 ZINC001577697693 984637764 /nfs/dbraw/zinc/63/77/64/984637764.db2.gz QJVXLILVOZZVPG-VXGBXAGGSA-N 2 0 243.395 1.031 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001577688023 984642445 /nfs/dbraw/zinc/64/24/45/984642445.db2.gz ZIBITYZUYQNAGU-HZSPNIEDSA-N 2 0 241.423 1.837 20 0 BDADRP CC[N@H+](CCCCCCC[NH3+])[C@H]1CCNC1=O ZINC001577713162 984650870 /nfs/dbraw/zinc/65/08/70/984650870.db2.gz PFBQJKLEXRIJJC-LBPRGKRZSA-N 2 0 241.379 1.106 20 0 BDADRP C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccn1)CC2 ZINC001275871374 984716247 /nfs/dbraw/zinc/71/62/47/984716247.db2.gz XIXBXPWPSFKZQD-UHFFFAOYSA-N 2 0 245.370 1.999 20 0 BDADRP CC[NH+]1CCC(CN(C)[C@@H]2CC[NH2+]C2)CC1 ZINC001577764316 984725776 /nfs/dbraw/zinc/72/57/76/984725776.db2.gz XLYDMLNHNMWXOC-CYBMUJFWSA-N 2 0 225.380 1.012 20 0 BDADRP CC[NH+]1CCC(CN[C@@H](CC[NH3+])C(F)F)CC1 ZINC001577763489 984727678 /nfs/dbraw/zinc/72/76/78/984727678.db2.gz CJHFTYSFVPPHOP-NSHDSACASA-N 2 0 249.349 1.290 20 0 BDADRP CCN1CCC[C@@H]([NH2+]C2CC3(CC([NH3+])C3)C2)C1 ZINC001577771357 984768765 /nfs/dbraw/zinc/76/87/65/984768765.db2.gz VWACTHJBYVGVOY-DBBXXEFVSA-N 2 0 237.391 1.330 20 0 BDADRP CCN1CCC[C@@H]([NH2+]CCC2(C[NH3+])CC2)C1 ZINC001577771555 984776713 /nfs/dbraw/zinc/77/67/13/984776713.db2.gz ZBLFOAXLMFKGJY-GFCCVEGCSA-N 2 0 225.380 1.189 20 0 BDADRP CC[N@@H+]1CCC[C@@H](N[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC001577770854 984776809 /nfs/dbraw/zinc/77/68/09/984776809.db2.gz ONSPCUQBLWZXQW-JHJVBQTASA-N 2 0 225.380 1.201 20 0 BDADRP C[N@H+]1CC[C@H]2C[NH+](Cc3cc[nH]c3)C[C@H]2CC1 ZINC001276102993 984814782 /nfs/dbraw/zinc/81/47/82/984814782.db2.gz CIQMCQCWAUJNQF-OKILXGFUSA-N 2 0 233.359 1.788 20 0 BDADRP CCOC(=O)[C@H](C)[C@H](C)[NH2+]CC1(C[NH3+])CCC1 ZINC001577908431 984816637 /nfs/dbraw/zinc/81/66/37/984816637.db2.gz IVEATRGMRUTVPU-MNOVXSKESA-N 2 0 242.363 1.293 20 0 BDADRP CCOC(=O)[C@@H](C)[C@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC001577908375 984819857 /nfs/dbraw/zinc/81/98/57/984819857.db2.gz HIROBLYPYLJCFO-RHYQMDGZSA-N 2 0 242.363 1.019 20 0 BDADRP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3[nH]cnc3C)(C1)CCC2 ZINC001276207331 984828838 /nfs/dbraw/zinc/82/88/38/984828838.db2.gz RLKUKEFCLSRGLY-UONOGXRCSA-N 2 0 248.374 1.873 20 0 BDADRP CCOC(=O)[C@H]1CCC[N@@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578026104 984837139 /nfs/dbraw/zinc/83/71/39/984837139.db2.gz PTYKBYOKEQSSJU-QJPTWQEYSA-N 2 0 240.347 1.141 20 0 BDADRP Cn1nccc1C[N@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001276281787 984839852 /nfs/dbraw/zinc/83/98/52/984839852.db2.gz UVVJYGVYGBGOOW-BETUJISGSA-N 2 0 248.374 1.194 20 0 BDADRP CCOC1CC([N@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001578087954 984845456 /nfs/dbraw/zinc/84/54/56/984845456.db2.gz WTWIEHXZTHXPEZ-IWMBGFJWSA-N 2 0 240.391 1.874 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H]([NH3+])C2)C12CCC2 ZINC001578093282 984845528 /nfs/dbraw/zinc/84/55/28/984845528.db2.gz GORUZEDORXTPCM-WRWGMCAJSA-N 2 0 224.348 1.413 20 0 BDADRP CCOCC(C)(C)C[NH2+]CC1(C[NH3+])CC1 ZINC001578100436 984852831 /nfs/dbraw/zinc/85/28/31/984852831.db2.gz UOQPISOGZHJASW-UHFFFAOYSA-N 2 0 214.353 1.378 20 0 BDADRP CCO[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC[NH2+]C1 ZINC001578148934 984856124 /nfs/dbraw/zinc/85/61/24/984856124.db2.gz OQCWFNDVGBOQDE-BFHYXJOUSA-N 2 0 240.391 1.923 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]CC[C@H](C)[NH3+])[C@]12CCCO2 ZINC001578149165 984858314 /nfs/dbraw/zinc/85/83/14/984858314.db2.gz WYYQTPXVJKZFHY-UMSGYPCISA-N 2 0 242.363 1.040 20 0 BDADRP CCO[C@@]1(C)C[C@H]1[NH2+]CC(C)(C)C[NH3+] ZINC001578161391 984864094 /nfs/dbraw/zinc/86/40/94/984864094.db2.gz PTZIWCHEAFZVLN-KOLCDFICSA-N 2 0 200.326 1.128 20 0 BDADRP CCO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC001578160825 984865643 /nfs/dbraw/zinc/86/56/43/984865643.db2.gz FBTJODMNPGHGCV-QCNOEVLYSA-N 2 0 212.337 1.413 20 0 BDADRP CC[C@H]1[NH2+]CC[C@@H]1[NH2+][C@H](C)[C@H]1CCOC1 ZINC001578241730 984894995 /nfs/dbraw/zinc/89/49/95/984894995.db2.gz JHVGZAISZYSROL-KXNHARMFSA-N 2 0 212.337 1.142 20 0 BDADRP CC[C@H]1[NH2+]CC[C@@H]1[NH2+]CC1CC(OC)C1 ZINC001578241970 984895524 /nfs/dbraw/zinc/89/55/24/984895524.db2.gz VAERIRIXBWSHHV-HCWSGVFWSA-N 2 0 212.337 1.142 20 0 BDADRP CC[C@H](C)[NH+]1CCN(CC[NH+](CC)CC)CC1 ZINC001257436573 985010007 /nfs/dbraw/zinc/01/00/07/985010007.db2.gz RTBIBJCLPFIBDM-AWEZNQCLSA-N 2 0 241.423 1.744 20 0 BDADRP C[N@H+](C[C@@H](O)C1CC1)C[C@@H]1CCC[NH+](C)C1 ZINC000685985630 985028829 /nfs/dbraw/zinc/02/88/29/985028829.db2.gz WRGWHNMSGLRMIH-DGCLKSJQSA-N 2 0 226.364 1.031 20 0 BDADRP CN(CC[N@H+](C)C[C@H]1CC[C@@H]([NH3+])C1)C1CC1 ZINC001578469958 985107034 /nfs/dbraw/zinc/10/70/34/985107034.db2.gz KEAFIAYXUUCJPZ-NWDGAFQWSA-N 2 0 225.380 1.140 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H](NCC[NH2+]C(C)(C)C)[C@@H]2C1 ZINC001578520764 985145434 /nfs/dbraw/zinc/14/54/34/985145434.db2.gz GHUVHRXMYAXNRS-XQQFMLRXSA-N 2 0 239.407 1.304 20 0 BDADRP C[N@@H+]1CCC[C@H]1CNC[C@@H]([NH3+])CCC(C)(C)C ZINC001578530216 985153728 /nfs/dbraw/zinc/15/37/28/985153728.db2.gz BYYRSXQVFYJPDR-STQMWFEESA-N 2 0 241.423 1.824 20 0 BDADRP CN1CCC[C@H]2[C@@H]1CC[N@@H+]2C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578529720 985154131 /nfs/dbraw/zinc/15/41/31/985154131.db2.gz YQQSQUYPRTXUGH-CRWXNKLISA-N 2 0 237.391 1.282 20 0 BDADRP O[C@H](C[NH+]1CCCC1)C[NH+]1CCC2(CC2)CC1 ZINC000686607207 985155908 /nfs/dbraw/zinc/15/59/08/985155908.db2.gz QPPBAKCVTAOQAF-CYBMUJFWSA-N 2 0 238.375 1.319 20 0 BDADRP C[N@@H+]1CCC[C@@H](Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC001578528481 985155913 /nfs/dbraw/zinc/15/59/13/985155913.db2.gz IAIMJAXSTFTVFH-CQSZACIVSA-N 2 0 231.343 1.796 20 0 BDADRP C[NH2+]C[C@H](C)C(=O)NCc1c[nH]c(C(C)C)n1 ZINC001578620358 985229053 /nfs/dbraw/zinc/22/90/53/985229053.db2.gz FDKDTAKESXGDHI-VIFPVBQESA-N 2 0 238.335 1.005 20 0 BDADRP CO[C@@H]1CC[C@@H](C)[N@H+](CC2CC[NH2+]CC2)C1 ZINC000687252864 985275191 /nfs/dbraw/zinc/27/51/91/985275191.db2.gz ASFAOCSKIYOHFS-DGCLKSJQSA-N 2 0 226.364 1.485 20 0 BDADRP C[NH2+]CCCN1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001578686939 985292500 /nfs/dbraw/zinc/29/25/00/985292500.db2.gz DYJMFLJMQULLAU-ZDUSSCGKSA-N 2 0 248.374 1.202 20 0 BDADRP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC001578790679 985359608 /nfs/dbraw/zinc/35/96/08/985359608.db2.gz VUCZEBMZFIUNKB-IYKVGLELSA-N 2 0 240.347 1.044 20 0 BDADRP COC(C)(C)[C@@H](C)[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001578892618 985454983 /nfs/dbraw/zinc/45/49/83/985454983.db2.gz AOKPUDAFIDGDHJ-HUXNSBQSSA-N 2 0 212.337 1.269 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]C1CC2(CC([NH3+])C2)C1 ZINC001578897064 985467507 /nfs/dbraw/zinc/46/75/07/985467507.db2.gz SNFAUITVXAMTDP-WJZAEVBBSA-N 2 0 212.337 1.269 20 0 BDADRP CO[C@@](C)(C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1)C1CC1 ZINC001578898405 985474396 /nfs/dbraw/zinc/47/43/96/985474396.db2.gz YFOUUXGSGKRWGU-DYEKYZERSA-N 2 0 238.375 1.343 20 0 BDADRP CCCC[NH+]1CCC([NH2+][C@@H]2COC[C@H]2C)CC1 ZINC000688026635 985500978 /nfs/dbraw/zinc/50/09/78/985500978.db2.gz WASNEEUGQPWJDM-TZMCWYRMSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1COC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000688046313 985525081 /nfs/dbraw/zinc/52/50/81/985525081.db2.gz BEPMYGLSYCJRJD-NTZNESFSSA-N 2 0 224.348 1.095 20 0 BDADRP COC1CC(C[NH2+][C@@H]2CC[NH2+]C2(C)C)C1 ZINC001578935164 985532907 /nfs/dbraw/zinc/53/29/07/985532907.db2.gz AUBYNPKNTQUZQA-VQXHTEKXSA-N 2 0 212.337 1.142 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]CC[C@@H](C)[NH+](C)C)CO1 ZINC000688429286 985633753 /nfs/dbraw/zinc/63/37/53/985633753.db2.gz RDQNPPXNRBNRAJ-IJLUTSLNSA-N 2 0 214.353 1.484 20 0 BDADRP [NH3+]CCc1ccccc1C1=C[NH2+]CCC1 ZINC001243949397 985633927 /nfs/dbraw/zinc/63/39/27/985633927.db2.gz FBRWTLDKPYJAMI-UHFFFAOYSA-N 2 0 202.301 1.912 20 0 BDADRP COCC[C@@H]([NH3+])C[NH2+]C[C@@H](SC)C(C)(C)C ZINC001579002688 985651224 /nfs/dbraw/zinc/65/12/24/985651224.db2.gz SNFWBTULPLMVAU-GHMZBOCLSA-N 2 0 248.436 1.718 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+][C@H](C)CC(C)(C)OC ZINC001579002861 985656638 /nfs/dbraw/zinc/65/66/38/985656638.db2.gz ULLSJYUMQUYQPN-MNOVXSKESA-N 2 0 232.368 1.143 20 0 BDADRP COCC[C@@H]([NH3+])C[NH2+][C@@H](C(C)C)C1CC1 ZINC001579002999 985660550 /nfs/dbraw/zinc/66/05/50/985660550.db2.gz WPEHRIFAKBLYGB-NEPJUHHUSA-N 2 0 214.353 1.374 20 0 BDADRP COCC[C@@H]([NH3+])C[NH2+]CC[C@H]1CCSC1 ZINC001579003370 985661398 /nfs/dbraw/zinc/66/13/98/985661398.db2.gz GQTLMEABQLFMOH-WDEREUQCSA-N 2 0 232.393 1.083 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H](C)O1 ZINC000689079746 985797474 /nfs/dbraw/zinc/79/74/74/985797474.db2.gz NWBIXSVGGSETND-FVCCEPFGSA-N 2 0 226.364 1.613 20 0 BDADRP COc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]CC2)cn1 ZINC001579216428 985820361 /nfs/dbraw/zinc/82/03/61/985820361.db2.gz UGLOCVYUPQQDHH-GFCCVEGCSA-N 2 0 249.358 1.570 20 0 BDADRP COc1ccc(CC[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)cn1 ZINC001579209110 985821058 /nfs/dbraw/zinc/82/10/58/985821058.db2.gz IPYAOWTWPQIIBG-RYUDHWBXSA-N 2 0 249.358 1.348 20 0 BDADRP COC(=O)CC[C@@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC001258347167 985823337 /nfs/dbraw/zinc/82/33/37/985823337.db2.gz HLJFMKDOERWAOC-OUAUKWLOSA-N 2 0 228.336 1.188 20 0 BDADRP COC(=O)CC[C@@H](C)[NH2+]CCCC[NH+](C)C ZINC001258347983 985826637 /nfs/dbraw/zinc/82/66/37/985826637.db2.gz XYEYWCKIWLGKEC-LLVKDONJSA-N 2 0 230.352 1.260 20 0 BDADRP COc1cccc(C[NH2+]C2CC3(C[C@@H]3[NH3+])C2)c1C ZINC001579277267 985830748 /nfs/dbraw/zinc/83/07/48/985830748.db2.gz BEUVVPVIDZWBHQ-BLZCZZARSA-N 2 0 246.354 1.973 20 0 BDADRP C[S@](=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC001579356276 985857208 /nfs/dbraw/zinc/85/72/08/985857208.db2.gz VJCMDKVIAFLWHP-OVZMXSCWSA-N 2 0 244.404 1.018 20 0 BDADRP CS[C@@H]1CC[C@@H]1N[C@H]1CC[NH2+][C@@H]1C ZINC001579366923 985860969 /nfs/dbraw/zinc/86/09/69/985860969.db2.gz GOCWBDGHMZUXFU-XFWSIPNHSA-N 2 0 200.351 1.220 20 0 BDADRP CS[C@@H]1CCC[C@H]([NH2+]CC[C@H](C)[NH3+])C1 ZINC001579370543 985864342 /nfs/dbraw/zinc/86/43/42/985864342.db2.gz RWPIEHFLUFBFEC-GARJFASQSA-N 2 0 216.394 1.988 20 0 BDADRP CS[C@H]1C[C@H]([NH2+]CCC2([NH3+])CCOCC2)C1 ZINC001579384898 985867565 /nfs/dbraw/zinc/86/75/65/985867565.db2.gz PNACLLVOZNOUNR-XYPYZODXSA-N 2 0 244.404 1.368 20 0 BDADRP CS[C@H]1C[C@H]([NH2+]C2CC3(C[C@H]3[NH3+])C2)C1 ZINC001579385158 985869611 /nfs/dbraw/zinc/86/96/11/985869611.db2.gz WGDAOBBVDTWLTF-QWPZBJEXSA-N 2 0 212.362 1.350 20 0 BDADRP C[C@@H](CC1CC1)[NH2+]CCN1CCC[N@H+](C)CC1 ZINC001258452144 985895203 /nfs/dbraw/zinc/89/52/03/985895203.db2.gz ZCSDWYLYQSNMQH-ZDUSSCGKSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@@H]1C[N@H+](CC2(O)CCCCCC2)C[C@H]1[NH3+] ZINC001579440386 985900927 /nfs/dbraw/zinc/90/09/27/985900927.db2.gz ZKNZHOXUEALJQY-VXGBXAGGSA-N 2 0 226.364 1.351 20 0 BDADRP C[C@@H]1CN(CC[N@H+](C)Cc2ccccc2)C[C@H]1[NH3+] ZINC001579440500 985927818 /nfs/dbraw/zinc/92/78/18/985927818.db2.gz FLHNGTQKHWPUCO-UKRRQHHQSA-N 2 0 247.386 1.397 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@H](c2ncccn2)C1 ZINC001579454682 985941019 /nfs/dbraw/zinc/94/10/19/985941019.db2.gz VFSLFWBDSXYKON-UPJWGTAASA-N 2 0 246.358 1.121 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@H](C)OCC[C@H]1C ZINC001579455757 985949315 /nfs/dbraw/zinc/94/93/15/985949315.db2.gz QOAYGNNZEGJKMO-LPWJVIDDSA-N 2 0 226.364 1.341 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CNC(C)(C)C[NH+]1CCCC1 ZINC001579459705 985955965 /nfs/dbraw/zinc/95/59/65/985955965.db2.gz RBZWVVOBLZQXRK-OLZOCXBDSA-N 2 0 239.407 1.306 20 0 BDADRP C[C@H]([NH3+])CCNc1cc[nH+]cc1C(F)(F)F ZINC001579480568 986001412 /nfs/dbraw/zinc/00/14/12/986001412.db2.gz YIPISYJOFSKBCJ-ZETCQYMHSA-N 2 0 233.237 1.672 20 0 BDADRP C[C@H]1[C@@H](O)CCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001579506406 986047558 /nfs/dbraw/zinc/04/75/58/986047558.db2.gz KLVVGNUWEHGCGL-XQQFMLRXSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@H]1c2ccccc2C[C@H]1[NH2+]C[C@@H]1CNCCO1 ZINC001579507576 986054217 /nfs/dbraw/zinc/05/42/17/986054217.db2.gz FESCRDZBSCCDPM-CORIIIEPSA-N 2 0 246.354 1.293 20 0 BDADRP Cc1c[nH]c(=O)c(C[NH2+]CC(C)(C)C[NH3+])c1 ZINC001579544260 986076410 /nfs/dbraw/zinc/07/64/10/986076410.db2.gz UKGLXCUNJFDUPU-UHFFFAOYSA-N 2 0 223.320 1.170 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)CC(C)C)[C@H](C)C1 ZINC000305135518 986078437 /nfs/dbraw/zinc/07/84/37/986078437.db2.gz OJWDJLQDNIQFOR-MCIONIFRSA-N 2 0 242.407 1.713 20 0 BDADRP Cc1c[nH]nc1CNC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001579547601 986079990 /nfs/dbraw/zinc/07/99/90/986079990.db2.gz PECHCNZKBGCDKL-CHWSQXEVSA-N 2 0 234.347 1.340 20 0 BDADRP Cc1cc(C[NH2+]C2CC3(CC([NH3+])C3)C2)on1 ZINC001579601539 986128356 /nfs/dbraw/zinc/12/83/56/986128356.db2.gz UAWSWHHSSYGNKO-UHFFFAOYSA-N 2 0 221.304 1.343 20 0 BDADRP CCC[NH+]1CCC([N@@H+]2CC[C@@H](O)[C@H](C)C2)CC1 ZINC001258772553 986153116 /nfs/dbraw/zinc/15/31/16/986153116.db2.gz SPQACOFPGACSSK-TZMCWYRMSA-N 2 0 240.391 1.564 20 0 BDADRP Cc1ncccc1C[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001579882448 986295980 /nfs/dbraw/zinc/29/59/80/986295980.db2.gz ZCBSTRLLLVKSRA-OTTFEQOBSA-N 2 0 217.316 1.359 20 0 BDADRP Cc1ncc(C[NH2+]C[C@H]2CCC[NH2+]CC2)s1 ZINC001579878148 986297185 /nfs/dbraw/zinc/29/71/85/986297185.db2.gz JWDBESUJVWEDIP-NSHDSACASA-N 2 0 239.388 1.931 20 0 BDADRP CC[NH+]1C[C@@H]2C[NH+](CC3CCC3)C[C@H]2C1 ZINC001202791581 986310804 /nfs/dbraw/zinc/31/08/04/986310804.db2.gz ACMBYFYFSUGTNP-CHWSQXEVSA-N 2 0 208.349 1.670 20 0 BDADRP Cn1cc(C[N@@H+]2C[C@@H]3CCCC[C@]3(C[NH3+])C2)cn1 ZINC001579961277 986364454 /nfs/dbraw/zinc/36/44/54/986364454.db2.gz HBQXGXVDDRDGDH-KBPBESRZSA-N 2 0 248.374 1.371 20 0 BDADRP Cn1cc(Cl)c(C[NH2+]C2CC3(C[C@H]3[NH3+])C2)n1 ZINC001579965789 986369307 /nfs/dbraw/zinc/36/93/07/986369307.db2.gz YKVHLTGCEGSJJN-DCKZXCDOSA-N 2 0 240.738 1.043 20 0 BDADRP Cn1ccnc1[C@@H]1CC[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001579980244 986379432 /nfs/dbraw/zinc/37/94/32/986379432.db2.gz LIZJGFVNKHDHGJ-YNEHKIRRSA-N 2 0 248.374 1.337 20 0 BDADRP C[C@H](CCCC[NH3+])NC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC001261492908 986515705 /nfs/dbraw/zinc/51/57/05/986515705.db2.gz ACISSXWAQYNKQR-GRYCIOLGSA-N 2 0 241.379 1.138 20 0 BDADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)[C@H](C)O ZINC001262491800 986561869 /nfs/dbraw/zinc/56/18/69/986561869.db2.gz PHPOVEZRVPYIJA-KBHBFKLGSA-N 2 0 240.391 1.752 20 0 BDADRP C[C@@H]1C[C@@H](C[NH+]2CCC(F)CC2)CC[NH2+]1 ZINC000689435795 986605511 /nfs/dbraw/zinc/60/55/11/986605511.db2.gz MFBWXVYRCGTAQB-MNOVXSKESA-N 2 0 214.328 1.808 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+][C@@H]1Cc3ccccc3[C@H]1O)C2 ZINC001580164379 986634104 /nfs/dbraw/zinc/63/41/04/986634104.db2.gz HZEUNQOYCAMYBW-GVKWIUKZSA-N 2 0 244.338 1.114 20 0 BDADRP [NH3+]C1CC([NH2+][C@H](CO)CC2CCCC2)C1 ZINC001580162516 986636150 /nfs/dbraw/zinc/63/61/50/986636150.db2.gz BFUVFJPYYWPVEQ-MCIGGMRASA-N 2 0 212.337 1.007 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+]C[C@@H]1CCCC[C@H]1O)C2 ZINC001580164731 986637996 /nfs/dbraw/zinc/63/79/96/986637996.db2.gz IXKMDBQBZHIWFH-FDVIIKHLSA-N 2 0 224.348 1.007 20 0 BDADRP [NH3+][C@H]1CC12CC([NH2+][C@@H](CO)C1CCCC1)C2 ZINC001580163353 986638980 /nfs/dbraw/zinc/63/89/80/986638980.db2.gz AAJPACQNRHKTQF-ZFQMDJOTSA-N 2 0 224.348 1.007 20 0 BDADRP [NH3+][C@H]1CC12CC([NH2+][C@H](c1ncccn1)C1CC1)C2 ZINC001580167226 986640541 /nfs/dbraw/zinc/64/05/41/986640541.db2.gz VWTGKGPFFTWEKV-ATJQQHLPSA-N 2 0 244.342 1.397 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+][C@@H](c1ncccn1)C1CC1)C2 ZINC001580167228 986641691 /nfs/dbraw/zinc/64/16/91/986641691.db2.gz VWTGKGPFFTWEKV-CBKZZEEASA-N 2 0 244.342 1.397 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+][C@@H]1COC3(CCC3)C1)C2 ZINC001580166722 986642991 /nfs/dbraw/zinc/64/29/91/986642991.db2.gz RIHKZPJSOHBKPH-LVFLEHKBSA-N 2 0 222.332 1.167 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+]C[C@@H]1C[C@@H]3CCC[C@@H]3O1)C2 ZINC001580167315 986643680 /nfs/dbraw/zinc/64/36/80/986643680.db2.gz XYWQOWFOAZLCHP-SUDUBJCESA-N 2 0 236.359 1.413 20 0 BDADRP CCO[C@@H]1CCC[N@@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254523776 986666484 /nfs/dbraw/zinc/66/64/84/986666484.db2.gz RKQAQOZHVLQDGS-ZIAGYGMSSA-N 2 0 240.391 1.972 20 0 BDADRP C[N@@H+]1CCC[C@H](N2CC([NH+]3CCCC3)C2)CC1 ZINC001254522003 986670446 /nfs/dbraw/zinc/67/04/46/986670446.db2.gz AQRNUKZYKXKWNC-ZDUSSCGKSA-N 2 0 237.391 1.251 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH+]2CC[C@@]23CCOC3)CC1 ZINC001254532361 986678979 /nfs/dbraw/zinc/67/89/79/986678979.db2.gz RVGBGXVZRZGUOT-OLZOCXBDSA-N 2 0 224.348 1.336 20 0 BDADRP [NH3+]CC1CC([NH2+][C@@H](CO)CC2CCCC2)C1 ZINC001580255578 986711251 /nfs/dbraw/zinc/71/12/51/986711251.db2.gz KLYATPNUTWBEBB-WXRRBKDZSA-N 2 0 226.364 1.255 20 0 BDADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)C1 ZINC001580261387 986716455 /nfs/dbraw/zinc/71/64/55/986716455.db2.gz ZFJDCTOWNZXRNT-JHEVNIALSA-N 2 0 224.348 1.271 20 0 BDADRP [NH3+]CCC1CC([NH2+]C[C@H](CO)CC2CC2)C1 ZINC001580287552 986731723 /nfs/dbraw/zinc/73/17/23/986731723.db2.gz WJSGBCQRZAHGNL-OTTFEQOBSA-N 2 0 226.364 1.112 20 0 BDADRP [NH3+]CC[C@H](O)C[N@H+](CCC1CC1)CC1CC1 ZINC001580284964 986732899 /nfs/dbraw/zinc/73/28/99/986732899.db2.gz YXCYKKCWDFAAGG-ZDUSSCGKSA-N 2 0 226.364 1.208 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+]Cc2cnn3c2CCC3)C1 ZINC001580389461 986817160 /nfs/dbraw/zinc/81/71/60/986817160.db2.gz HWVXTICARTZLRA-CMPLNLGQSA-N 2 0 234.347 1.046 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)C1 ZINC001580423030 986840906 /nfs/dbraw/zinc/84/09/06/986840906.db2.gz MOKDWOPEJYVHBV-JZRPKSSGSA-N 2 0 224.348 1.271 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc3n[nH]cc32)C1 ZINC001580431324 986849728 /nfs/dbraw/zinc/84/97/28/986849728.db2.gz FNJZDCTWQNBAQN-MGCOHNPYSA-N 2 0 216.288 1.142 20 0 BDADRP CC(C)N(C[C@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]CC1 ZINC001206583329 986905667 /nfs/dbraw/zinc/90/56/67/986905667.db2.gz SPGHGNDDKYAOOZ-ZIAGYGMSSA-N 2 0 239.407 1.591 20 0 BDADRP [NH3+]Cc1cnccc1-c1cccc2c[nH+]cn21 ZINC001245563014 986957473 /nfs/dbraw/zinc/95/74/73/986957473.db2.gz WCGDVWQXZVKJDE-UHFFFAOYSA-N 2 0 224.267 1.855 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]C1CC2(COC2)C1 ZINC001255945469 987077576 /nfs/dbraw/zinc/07/75/76/987077576.db2.gz LBIMLPJSZJZHJU-GFCCVEGCSA-N 2 0 240.391 1.875 20 0 BDADRP CCCC[C@H](O)C[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1C ZINC001245985569 987263462 /nfs/dbraw/zinc/26/34/62/987263462.db2.gz UQEXBTBFMLGAQV-AVGNSLFASA-N 2 0 228.380 1.373 20 0 BDADRP C[C@](O)(C[NH2+]C[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC001245983765 987266141 /nfs/dbraw/zinc/26/61/41/987266141.db2.gz URFGOWUSPVGIFF-ZFWWWQNUSA-N 2 0 248.370 1.483 20 0 BDADRP CCCC[C@H](O)C[NH2+]C[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001245995088 987279758 /nfs/dbraw/zinc/27/97/58/987279758.db2.gz SOZSAEOJKVBVDF-XQQFMLRXSA-N 2 0 228.380 1.373 20 0 BDADRP C[C@H]([NH3+])CC[NH2+]C[C@](C)(O)c1ccccc1 ZINC001245999812 987285535 /nfs/dbraw/zinc/28/55/35/987285535.db2.gz KEWUSSUSIRQJTD-AAEUAGOBSA-N 2 0 222.332 1.221 20 0 BDADRP CCCCC[C@H](O)C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246017653 987301568 /nfs/dbraw/zinc/30/15/68/987301568.db2.gz SJFSSEROEHNETE-OLZOCXBDSA-N 2 0 228.380 1.741 20 0 BDADRP CCCC[C@H](O)C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001246016541 987302068 /nfs/dbraw/zinc/30/20/68/987302068.db2.gz LWZLVZGBYABQBH-RYUDHWBXSA-N 2 0 214.353 1.351 20 0 BDADRP CCC[C@@H](O)C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246019120 987306915 /nfs/dbraw/zinc/30/69/15/987306915.db2.gz HIOOELRLRBHMBD-NEPJUHHUSA-N 2 0 214.353 1.351 20 0 BDADRP CC(C)(C)[C@H](O)C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246020798 987309782 /nfs/dbraw/zinc/30/97/82/987309782.db2.gz MEYMLBJDSSUWOV-DGCLKSJQSA-N 2 0 246.370 1.546 20 0 BDADRP CCCC[C@@H](O)C[NH+]1CCC(F)(C[NH3+])CC1 ZINC001246021276 987310978 /nfs/dbraw/zinc/31/09/78/987310978.db2.gz FJFBWCZEQRAICT-LLVKDONJSA-N 2 0 232.343 1.300 20 0 BDADRP CC(C)(C)[C@@H](O)C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246023082 987311191 /nfs/dbraw/zinc/31/11/91/987311191.db2.gz RZTWDFNUDABOGW-WCQYABFASA-N 2 0 228.380 1.597 20 0 BDADRP C[C@H](CCCO)[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693708481 987312165 /nfs/dbraw/zinc/31/21/65/987312165.db2.gz SQVBIQNSRWYNDJ-FVCCEPFGSA-N 2 0 240.391 1.514 20 0 BDADRP CC(C)[C@@H](O)C[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246023304 987314419 /nfs/dbraw/zinc/31/44/19/987314419.db2.gz QXSWMMCTVBXFDD-NWDGAFQWSA-N 2 0 232.343 1.156 20 0 BDADRP CCCC[C@H](O)C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246025345 987317498 /nfs/dbraw/zinc/31/74/98/987317498.db2.gz WWWSCXFZBIBQBA-UONOGXRCSA-N 2 0 242.407 1.988 20 0 BDADRP CCC[C@H](O)C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246030156 987330202 /nfs/dbraw/zinc/33/02/02/987330202.db2.gz FBCQEQSHVWNTBU-RYUDHWBXSA-N 2 0 214.353 1.208 20 0 BDADRP CCC[C@H](O)C[N@@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001246031910 987330995 /nfs/dbraw/zinc/33/09/95/987330995.db2.gz RJBKLDCTWJBMQW-XQQFMLRXSA-N 2 0 228.380 1.454 20 0 BDADRP [NH3+]C1CC[NH+](C[C@H](O)Cc2ccccc2)CC1 ZINC000695439070 987333552 /nfs/dbraw/zinc/33/35/52/987333552.db2.gz KBOZYVOAVCXDIT-CQSZACIVSA-N 2 0 234.343 1.013 20 0 BDADRP CC(C)(O)C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001246033157 987338087 /nfs/dbraw/zinc/33/80/87/987338087.db2.gz MWQRPCYAAOTOJF-CYBMUJFWSA-N 2 0 240.391 1.611 20 0 BDADRP CC[N@@H+]1CCC[C@H]1CN[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246071721 987357629 /nfs/dbraw/zinc/35/76/29/987357629.db2.gz CDIPUQWLDSYVTF-XQQFMLRXSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H](CNC1=[NH+]CCCCN1)C[NH+]1CCCC1 ZINC000697671402 987363053 /nfs/dbraw/zinc/36/30/53/987363053.db2.gz SEJHKCCWNUUOPT-LBPRGKRZSA-N 2 0 238.379 1.047 20 0 BDADRP C[C@H](CNC1=[NH+]CCCCN1)C[NH+]1CCCC1 ZINC000697671401 987363924 /nfs/dbraw/zinc/36/39/24/987363924.db2.gz SEJHKCCWNUUOPT-GFCCVEGCSA-N 2 0 238.379 1.047 20 0 BDADRP C[C@@H](CC[NH2+][C@H]1CCCOCC1)[NH+](C)C ZINC000697888949 987364781 /nfs/dbraw/zinc/36/47/81/987364781.db2.gz JWDHPVPZROAJSC-RYUDHWBXSA-N 2 0 214.353 1.485 20 0 BDADRP C[C@@H](CC[NH2+][C@@H]1COC(C)(C)C1)[NH+](C)C ZINC000697835950 987365445 /nfs/dbraw/zinc/36/54/45/987365445.db2.gz GPVDLFMJOYIJIR-QWRGUYRKSA-N 2 0 214.353 1.484 20 0 BDADRP CCOCC[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699314100 987373881 /nfs/dbraw/zinc/37/38/81/987373881.db2.gz GEUUCHZKDORKHX-YHWZYXNKSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H]1CC[C@H](N[C@H]2CCC[N@H+](C)CC2)C[NH2+]1 ZINC001246080820 987376539 /nfs/dbraw/zinc/37/65/39/987376539.db2.gz OTEGNHNIELYWQX-AVGNSLFASA-N 2 0 225.380 1.201 20 0 BDADRP CCCCCC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246080736 987376617 /nfs/dbraw/zinc/37/66/17/987376617.db2.gz JPJJOPOOBXTPDS-GFCCVEGCSA-N 2 0 225.380 1.250 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]C2CC[NH2+]CC2)CCO1 ZINC001246080564 987376695 /nfs/dbraw/zinc/37/66/95/987376695.db2.gz RKCFQYWMGGUFPH-NWDGAFQWSA-N 2 0 212.337 1.286 20 0 BDADRP [NH3+]CCCCCCCC[NH2+][C@H]1CCCNC1 ZINC001246081074 987378900 /nfs/dbraw/zinc/37/89/00/987378900.db2.gz QVAOZXJFLDMZMI-ZDUSSCGKSA-N 2 0 227.396 1.627 20 0 BDADRP Cc1cc(C)n(CC[NH2+][C@H]2CC[NH2+][C@@H](C)C2)n1 ZINC001246086221 987385318 /nfs/dbraw/zinc/38/53/18/987385318.db2.gz SNIBYIPIIDBIJY-GWCFXTLKSA-N 2 0 236.363 1.230 20 0 BDADRP CCC[NH+]1CCC(N[C@@H]2CC[NH2+]C[C@H]2F)CC1 ZINC001246087458 987386533 /nfs/dbraw/zinc/38/65/33/987386533.db2.gz OINRTHCZVJIKII-CHWSQXEVSA-N 2 0 243.370 1.150 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](CN[C@@H]2CCC[N@H+](C)CC2)C1 ZINC001246097177 987407662 /nfs/dbraw/zinc/40/76/62/987407662.db2.gz GNWZFCUGTDUJNY-BFHYXJOUSA-N 2 0 239.407 1.306 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCSC2)C[NH2+]1 ZINC001246096932 987408208 /nfs/dbraw/zinc/40/82/08/987408208.db2.gz NREXXPBURSWZDH-GMTAPVOTSA-N 2 0 214.378 1.470 20 0 BDADRP C[C@@H]1CC[C@H](CN[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C[NH2+]1 ZINC001246096920 987410793 /nfs/dbraw/zinc/41/07/93/987410793.db2.gz NQTLJYBKYBTLJR-BJJPWKGXSA-N 2 0 237.391 1.247 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2CC[NH2+]CC[C@@H]2C)CC[NH2+]1 ZINC001246098945 987412460 /nfs/dbraw/zinc/41/24/60/987412460.db2.gz UAWRAZARPZEOHE-UMSGYPCISA-N 2 0 225.380 1.105 20 0 BDADRP CC(C)(C)CC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246100558 987413435 /nfs/dbraw/zinc/41/34/35/987413435.db2.gz SGQBEWXRTTWEQJ-NSHDSACASA-N 2 0 225.380 1.106 20 0 BDADRP CC(C)[C@H]1C[C@H](N[C@H]2C[NH2+]CC[C@H]2C)CC[NH2+]1 ZINC001246098774 987413796 /nfs/dbraw/zinc/41/37/96/987413796.db2.gz SPTMQABKVNIHCT-SYQHCUMBSA-N 2 0 239.407 1.351 20 0 BDADRP CC(C)(C)CC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246100549 987414570 /nfs/dbraw/zinc/41/45/70/987414570.db2.gz SGQBEWXRTTWEQJ-LLVKDONJSA-N 2 0 225.380 1.106 20 0 BDADRP CCCC[C@@H]1C[C@@H](N[C@@H]2CC[NH2+][C@@H]2C)CC[NH2+]1 ZINC001246100482 987416588 /nfs/dbraw/zinc/41/65/88/987416588.db2.gz DZBDDTOBGHXWEZ-YIYPIFLZSA-N 2 0 239.407 1.637 20 0 BDADRP C[C@@H]1CC[C@@H](N[C@]2(C)CCC[NH2+]CC2)C[NH2+]1 ZINC001246100094 987416994 /nfs/dbraw/zinc/41/69/94/987416994.db2.gz LJRSEDWPAKTZOH-JHJVBQTASA-N 2 0 225.380 1.249 20 0 BDADRP CC[C@H]1C[C@H](N[C@H]2C[NH2+]CC[C@H]2C)CC[NH2+]1 ZINC001246100192 987418878 /nfs/dbraw/zinc/41/88/78/987418878.db2.gz WCMZDTFIHVIQDO-XQHKEYJVSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1CC[C@@H](CN[C@H]2CCC[N@H+](C)CC2)C[NH2+]1 ZINC001246102030 987424096 /nfs/dbraw/zinc/42/40/96/987424096.db2.gz WFAVTJRNHMMIJB-MCIONIFRSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1N[C@H]1CC2CC[NH+](CC2)C1 ZINC001246101343 987424124 /nfs/dbraw/zinc/42/41/24/987424124.db2.gz KIORFHXEYRZCGP-KWCYVHTRSA-N 2 0 237.391 1.058 20 0 BDADRP COC1CCC([NH2+]C[C@@H]2C[NH2+]C[C@H](C)C2)CC1 ZINC001246103747 987426513 /nfs/dbraw/zinc/42/65/13/987426513.db2.gz TVDCROSFLSQLDQ-KBHBFKLGSA-N 2 0 240.391 1.779 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[C@H](C)C[NH2+]2)C1 ZINC001246103226 987426553 /nfs/dbraw/zinc/42/65/53/987426553.db2.gz GSGOTMNTIBRBPA-XDQVBPFNSA-N 2 0 240.391 1.922 20 0 BDADRP F[C@]1(CN[C@H]2CCCC[NH2+]C2)CCCC[NH2+]C1 ZINC001246105396 987433336 /nfs/dbraw/zinc/43/33/36/987433336.db2.gz BFYAEZYVCIRVPA-QWHCGFSZSA-N 2 0 243.370 1.200 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCO[C@H](C)C2)[NH2+]C1 ZINC001246105092 987433893 /nfs/dbraw/zinc/43/38/93/987433893.db2.gz LUJHOSBJLDABJA-FDYHWXHSSA-N 2 0 226.364 1.532 20 0 BDADRP C[NH2+]CC[C@H](C)[NH2+]C[C@H]1CC[NH2+]CC[C@H]1C ZINC001246106999 987439488 /nfs/dbraw/zinc/43/94/88/987439488.db2.gz GMLMXZJAITWKCZ-FRRDWIJNSA-N 3 0 227.396 1.210 20 0 BDADRP CC[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC001246108857 987442843 /nfs/dbraw/zinc/44/28/43/987442843.db2.gz IRIRGFBVGAHBQE-AGIUHOORSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H]1CC[C@H](NC[C@H]2CCC[NH2+][C@H]2C)C[NH2+]1 ZINC001246109660 987443293 /nfs/dbraw/zinc/44/32/93/987443293.db2.gz KJWFJTIKEBRHEH-XQHKEYJVSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1C[NH2+][C@H]1CCOC(C)(C)C1 ZINC001246115563 987455563 /nfs/dbraw/zinc/45/55/63/987455563.db2.gz ZABGJUZSMHCTIR-AVGNSLFASA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]1C[C@@H](N2C[C@@H]([NH3+])Cc3ccccc32)CC[NH2+]1 ZINC001246116301 987458826 /nfs/dbraw/zinc/45/88/26/987458826.db2.gz YLWODFHCPQUURI-XBFCOCLRSA-N 2 0 245.370 1.517 20 0 BDADRP C[C@@H]1C[NH2+]CCC[C@@H]1N[C@H]1CCCC[NH2+]C1 ZINC001246117901 987465293 /nfs/dbraw/zinc/46/52/93/987465293.db2.gz NCJDWMNYNYFNTK-AGIUHOORSA-N 2 0 225.380 1.106 20 0 BDADRP C[C@@H]1C[C@@H](N[C@@H]2CCC[NH2+]C[C@H]2C)CC[NH2+]1 ZINC001246119623 987465516 /nfs/dbraw/zinc/46/55/16/987465516.db2.gz WRTCEFPMHBYMRI-FVCCEPFGSA-N 2 0 225.380 1.105 20 0 BDADRP C(N[C@H]1CCCC[NH2+]C1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC001246125273 987471889 /nfs/dbraw/zinc/47/18/89/987471889.db2.gz DYGJQAUACCJNBQ-MELADBBJSA-N 2 0 237.391 1.108 20 0 BDADRP CC(C)(C)[C@@H]1C[C@@H](N[C@H]2C[NH2+]C[C@H]2F)CC[NH2+]1 ZINC001246126693 987474334 /nfs/dbraw/zinc/47/43/34/987474334.db2.gz NDVOHPMQRQUJOF-USZNOCQGSA-N 2 0 243.370 1.053 20 0 BDADRP C1[NH2+]C[C@H]2CCC[C@H](N[C@H]3CCCC[NH2+]C3)[C@@H]12 ZINC001246128949 987479395 /nfs/dbraw/zinc/47/93/95/987479395.db2.gz CLCDTOXEMKPITM-RFGFWPKPSA-N 2 0 237.391 1.106 20 0 BDADRP CC(C)(C)[C@@H]1C[C@@H](N[C@]23C[C@H]2C[NH2+]C3)CC[NH2+]1 ZINC001246132456 987481152 /nfs/dbraw/zinc/48/11/52/987481152.db2.gz CYRPFDLUJQJPIG-MNXVOIDGSA-N 2 0 237.391 1.105 20 0 BDADRP CC(C)[NH+]1CCC(N[C@H]2C[NH2+]CC23CC3)CC1 ZINC001246134218 987487349 /nfs/dbraw/zinc/48/73/49/987487349.db2.gz QEMPFRLESVCXGO-ZDUSSCGKSA-N 2 0 237.391 1.201 20 0 BDADRP C[C@H]1CC[C@@H](N[C@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)C[NH2+]1 ZINC001246133720 987489142 /nfs/dbraw/zinc/48/91/42/987489142.db2.gz RZACTNKJUFWWAU-ZSLBOAEBSA-N 2 0 237.391 1.105 20 0 BDADRP C[NH2+]CC[C@@H](C)[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246133739 987489451 /nfs/dbraw/zinc/48/94/51/987489451.db2.gz VJWHPCVEUICVOV-CHWSQXEVSA-N 3 0 239.407 1.496 20 0 BDADRP CCC(CC)[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001246139379 987497716 /nfs/dbraw/zinc/49/77/16/987497716.db2.gz CVQONCOSZCGVRH-CYBMUJFWSA-N 2 0 239.407 1.639 20 0 BDADRP CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001246139897 987498083 /nfs/dbraw/zinc/49/80/83/987498083.db2.gz XOROEVNUHAOOGU-ODXJTPSBSA-N 2 0 240.391 1.778 20 0 BDADRP C1[NH2+]C[C@H]2OC[C@H]([NH2+]C3CCCCCCC3)[C@@H]12 ZINC001246150547 987508543 /nfs/dbraw/zinc/50/85/43/987508543.db2.gz XITPWPHHZWNCEO-HZSPNIEDSA-N 2 0 238.375 1.676 20 0 BDADRP CCCC[N@H+](CC)CCN[C@H]1CC[NH2+][C@H](C)C1 ZINC001246161341 987522842 /nfs/dbraw/zinc/52/28/42/987522842.db2.gz JRBORJVROXJCBX-KGLIPLIRSA-N 2 0 241.423 1.839 20 0 BDADRP C[C@H]1C[C@@H](Nc2ccc(CC[NH3+])cc2)CC[NH2+]1 ZINC001246160241 987523298 /nfs/dbraw/zinc/52/32/98/987523298.db2.gz DKLCULVKCBZYLV-FZMZJTMJSA-N 2 0 233.359 1.740 20 0 BDADRP CCCC[N@H+](CC)CCN[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246161342 987523846 /nfs/dbraw/zinc/52/38/46/987523846.db2.gz JRBORJVROXJCBX-UONOGXRCSA-N 2 0 241.423 1.839 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCCC[NH+]2CCCC2)CC[NH2+]1 ZINC001246161753 987524132 /nfs/dbraw/zinc/52/41/32/987524132.db2.gz LIEJUDFZZKJMKC-UONOGXRCSA-N 3 0 239.407 1.593 20 0 BDADRP C[C@@H]1CC[C@H](NCC[NH2+]Cc2ccccc2)C[NH2+]1 ZINC001246165131 987526435 /nfs/dbraw/zinc/52/64/35/987526435.db2.gz GMOGLXORJCYICP-HIFRSBDPSA-N 2 0 247.386 1.506 20 0 BDADRP c1ccc(C[NH2+]CCN[C@H]2CCC[NH2+]CC2)cc1 ZINC001246164878 987529307 /nfs/dbraw/zinc/52/93/07/987529307.db2.gz COLLUVMMMINYTI-HNNXBMFYSA-N 2 0 247.386 1.508 20 0 BDADRP C[C@@H]1C[C@@H](NC[C@H]2CCCC[NH2+]2)C[C@H](C)[NH2+]1 ZINC001246167980 987532482 /nfs/dbraw/zinc/53/24/82/987532482.db2.gz HGKXAYNSUWIMAD-YVECIDJPSA-N 2 0 225.380 1.247 20 0 BDADRP C[C@@H]1C[C@H](n2ccc3cc(C[NH3+])cnc32)CC[NH2+]1 ZINC001246182914 987552854 /nfs/dbraw/zinc/55/28/54/987552854.db2.gz BOLGJIMLRRHGJY-ZWNOBZJWSA-N 2 0 244.342 1.808 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC23CC[NH2+]CC3)CC[NH2+]1 ZINC001246180766 987553286 /nfs/dbraw/zinc/55/32/86/987553286.db2.gz PITSUCPBQHOKGI-FRRDWIJNSA-N 3 0 237.391 1.106 20 0 BDADRP CC(C)[C@H]1C[C@H](N[C@@H]2CCCC[C@H]2[NH3+])CC[NH2+]1 ZINC001246181199 987553557 /nfs/dbraw/zinc/55/35/57/987553557.db2.gz MOKKEHHXEVMFMS-AAVRWANBSA-N 2 0 239.407 1.623 20 0 BDADRP CCCN(CCC[NH3+])[C@H]1CC[NH2+][C@H](C)C1 ZINC001246180927 987555505 /nfs/dbraw/zinc/55/55/05/987555505.db2.gz UWGILIVCJMSGBL-NEPJUHHUSA-N 2 0 213.369 1.188 20 0 BDADRP CC(C)(C)[C@H]1C[C@H](NC[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC001246188423 987575034 /nfs/dbraw/zinc/57/50/34/987575034.db2.gz XBJQETFGDJIMSF-JHJVBQTASA-N 2 0 239.407 1.495 20 0 BDADRP CC[C@@H]1C[C@H](N[C@]2(C)CCC[NH2+]C2)CC[NH2+]1 ZINC001246191137 987576782 /nfs/dbraw/zinc/57/67/82/987576782.db2.gz UVYIWTXLSUTGCK-JHJVBQTASA-N 2 0 225.380 1.249 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC(C)(C)c2cnccn2)CC[NH2+]1 ZINC001246197205 987590745 /nfs/dbraw/zinc/59/07/45/987590745.db2.gz ZJCIKRYAXOSANI-NWDGAFQWSA-N 2 0 248.374 1.484 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)CCO1 ZINC001246199656 987594468 /nfs/dbraw/zinc/59/44/68/987594468.db2.gz YJNZRADZDVWPMA-RWMBFGLXSA-N 2 0 226.364 1.533 20 0 BDADRP C([NH2+]C1CCC2(CC[NH2+]CC2)CC1)[C@H]1CC[NH2+]1 ZINC001246199474 987595035 /nfs/dbraw/zinc/59/50/35/987595035.db2.gz KJDJRIHCWHTEJL-CYBMUJFWSA-N 3 0 237.391 1.250 20 0 BDADRP C[C@H](Cc1ccncc1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC001246200569 987595124 /nfs/dbraw/zinc/59/51/24/987595124.db2.gz RBSWFFPWGIQHSN-OCCSQVGLSA-N 2 0 233.359 1.602 20 0 BDADRP Cc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)n1C ZINC001246199364 987595499 /nfs/dbraw/zinc/59/54/99/987595499.db2.gz VULJQFCRZHULTI-ZYHUDNBSSA-N 2 0 221.348 1.564 20 0 BDADRP C[C@H](Cc1cccnc1)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC001246203698 987597761 /nfs/dbraw/zinc/59/77/61/987597761.db2.gz DEECSDMXUMHLEH-MRVWCRGKSA-N 2 0 233.359 1.872 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC001246204329 987600727 /nfs/dbraw/zinc/60/07/27/987600727.db2.gz FHIUCTUIMDAWNZ-POQQGIQPSA-N 2 0 237.391 1.519 20 0 BDADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H]2CCCC[NH2+]C2)CC1 ZINC001246206438 987603316 /nfs/dbraw/zinc/60/33/16/987603316.db2.gz OZVKVFZPTMEXSV-IHRRRGAJSA-N 2 0 239.407 1.483 20 0 BDADRP NC(=[NH2+])N(c1ccccc1F)[C@H]1CCC[NH2+]C1 ZINC001246214589 987609660 /nfs/dbraw/zinc/60/96/60/987609660.db2.gz RCYQTKNMKXZCPH-VIFPVBQESA-N 2 0 236.294 1.278 20 0 BDADRP CO[C@H]1CCC[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)C1 ZINC001246216001 987613085 /nfs/dbraw/zinc/61/30/85/987613085.db2.gz CCJWWBDROXJGQS-AVGNSLFASA-N 2 0 226.364 1.533 20 0 BDADRP C1C[C@@]2(C[NH2+]1)CCC[C@H]([NH2+][C@@H]1CCCNC1)C2 ZINC001246228201 987625062 /nfs/dbraw/zinc/62/50/62/987625062.db2.gz VKOXWZOJDPXKEM-MJBXVCDLSA-N 3 0 237.391 1.250 20 0 BDADRP C1C[C@]2(C[NH2+]1)CCC[C@H]([NH2+][C@@H]1CCCNC1)C2 ZINC001246228189 987626134 /nfs/dbraw/zinc/62/61/34/987626134.db2.gz VKOXWZOJDPXKEM-BFHYXJOUSA-N 3 0 237.391 1.250 20 0 BDADRP CCCC[C@@H]1C[C@H](N[C@@H]2CC[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246236484 987634033 /nfs/dbraw/zinc/63/40/33/987634033.db2.gz LFLJSVXCGUNDHM-REWJHTLYSA-N 2 0 239.407 1.767 20 0 BDADRP C[C@@H](Cc1cnccn1)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC001246237418 987635902 /nfs/dbraw/zinc/63/59/02/987635902.db2.gz OBGJRXFAVAZWLN-GRYCIOLGSA-N 2 0 234.347 1.138 20 0 BDADRP c1cncc(CCC[NH2+]C2CC[NH2+]CC2)c1 ZINC001246240128 987639064 /nfs/dbraw/zinc/63/90/64/987639064.db2.gz PIDNGIVWQLCJMX-UHFFFAOYSA-N 2 0 219.332 1.356 20 0 BDADRP C[C@H]1CC[C@@H](n2ncc3c2cccc3C[NH3+])C[NH2+]1 ZINC001246241139 987641835 /nfs/dbraw/zinc/64/18/35/987641835.db2.gz QLABQQSATUVADK-CMPLNLGQSA-N 2 0 244.342 1.808 20 0 BDADRP CO[C@H]1C[NH2+]C[C@@H]1N[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC001246241238 987642035 /nfs/dbraw/zinc/64/20/35/987642035.db2.gz VPZXYJZGBGZUAT-RNJOBUHISA-N 2 0 240.391 1.778 20 0 BDADRP C[NH2+]C1CCC([NH2+]CC[C@@H]2CCCC[NH2+]2)CC1 ZINC001246248004 987647533 /nfs/dbraw/zinc/64/75/33/987647533.db2.gz WSUFWOBIAGJRDZ-MOKVOYLWSA-N 3 0 239.407 1.639 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCc2cncs2)CC[NH2+]1 ZINC001246270828 987656184 /nfs/dbraw/zinc/65/61/84/987656184.db2.gz NHEHOJIJTUHLHI-UWVGGRQHSA-N 2 0 225.361 1.416 20 0 BDADRP C[C@H]1CC[C@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246261997 987656947 /nfs/dbraw/zinc/65/69/47/987656947.db2.gz GOIOPBIQEVZLAB-JHJVBQTASA-N 2 0 237.391 1.249 20 0 BDADRP C[C@H]1C[C@@H](NC(C)(C)CC[NH+](C)C)CC[NH2+]1 ZINC001246270015 987665714 /nfs/dbraw/zinc/66/57/14/987665714.db2.gz ZVBGIFIOZXMCIC-RYUDHWBXSA-N 2 0 227.396 1.447 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2(c3ccccn3)CC2)CC[NH2+]1 ZINC001246276031 987670147 /nfs/dbraw/zinc/67/01/47/987670147.db2.gz ALTKBRPTKLCVFR-CHWSQXEVSA-N 2 0 245.370 1.843 20 0 BDADRP CCNCC[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246274026 987670637 /nfs/dbraw/zinc/67/06/37/987670637.db2.gz UOWJWVPUFUHQNJ-LBPRGKRZSA-N 2 0 225.380 1.108 20 0 BDADRP CC1(C)C[C@H](NCC2([NH3+])CCCCC2)CC[NH2+]1 ZINC001246280397 987674595 /nfs/dbraw/zinc/67/45/95/987674595.db2.gz USEWJDRPQJCWOT-GFCCVEGCSA-N 2 0 239.407 1.768 20 0 BDADRP C[C@@H]1CC[C@@H](NC[C@H]([NH3+])c2ccccc2)C[NH2+]1 ZINC001246296089 987691184 /nfs/dbraw/zinc/69/11/84/987691184.db2.gz ZONLAQNUIZMQSX-BNOWGMLFSA-N 2 0 233.359 1.417 20 0 BDADRP C[C@H](CC[NH3+])N[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246300368 987697685 /nfs/dbraw/zinc/69/76/85/987697685.db2.gz NGACYALOXLAGGP-CHWSQXEVSA-N 2 0 239.407 1.768 20 0 BDADRP CC(C)(C)[C@H]1C[C@H](N[C@H]2CCC[C@H]2[NH3+])CC[NH2+]1 ZINC001246304624 987702185 /nfs/dbraw/zinc/70/21/85/987702185.db2.gz KRVKLIAYYRVWOC-FVCCEPFGSA-N 2 0 239.407 1.623 20 0 BDADRP CC[C@H]([NH3+])CCN[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246305464 987705191 /nfs/dbraw/zinc/70/51/91/987705191.db2.gz HTWFBQDNZXUBAW-XQQFMLRXSA-N 2 0 241.423 1.870 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@H](C)CCO[C@@H](C)CC ZINC001246312595 987714658 /nfs/dbraw/zinc/71/46/58/987714658.db2.gz GNHBWQDEFLWTQM-WOPDTQHZSA-N 2 0 216.369 1.907 20 0 BDADRP CC[C@@H](C)OCC[C@@H](C)[NH2+]C[C@@H]([NH3+])CC ZINC001246312594 987716893 /nfs/dbraw/zinc/71/68/93/987716893.db2.gz GNHBWQDEFLWTQM-UTUOFQBUSA-N 2 0 216.369 1.907 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+]C1CCC2(COC2)CC1 ZINC001246312165 987717520 /nfs/dbraw/zinc/71/75/20/987717520.db2.gz GLIZFVACUUFTLH-SNVBAGLBSA-N 2 0 212.337 1.273 20 0 BDADRP CC[C@@H]([NH3+])CNC1CC[NH+](C(C)C)CC1 ZINC001246315305 987718988 /nfs/dbraw/zinc/71/89/88/987718988.db2.gz SETNLWHMJBIZCG-LLVKDONJSA-N 2 0 213.369 1.186 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H](C)CCC(=O)OC(C)C ZINC001246316400 987720411 /nfs/dbraw/zinc/72/04/11/987720411.db2.gz ZGVMTLUIQGIZCO-QWRGUYRKSA-N 2 0 230.352 1.434 20 0 BDADRP C[C@H]1CC[C@@H](N[C@@H](C[NH3+])c2ccccc2)C[NH2+]1 ZINC001246317937 987723379 /nfs/dbraw/zinc/72/33/79/987723379.db2.gz RYMTZLXVVARENW-YUTCNCBUSA-N 2 0 233.359 1.417 20 0 BDADRP CC[C@H]([NH3+])CN[C@H](C)CC[NH+](CC)CC ZINC001246317543 987725499 /nfs/dbraw/zinc/72/54/99/987725499.db2.gz MWYLKXUWJBGOKD-NEPJUHHUSA-N 2 0 215.385 1.434 20 0 BDADRP C[NH2+]Cc1cccc(CN[C@H]2CCC[NH2+]C2)c1 ZINC001246321970 987728540 /nfs/dbraw/zinc/72/85/40/987728540.db2.gz DYGRIDYVPIJQGD-AWEZNQCLSA-N 2 0 233.359 1.248 20 0 BDADRP C[C@@H]1C[C@H](Nc2ccc(C[NH3+])nc2)CC[NH2+]1 ZINC001246327056 987735068 /nfs/dbraw/zinc/73/50/68/987735068.db2.gz RANGECWUIRQMDC-NXEZZACHSA-N 2 0 220.320 1.093 20 0 BDADRP C[C@@H](C[NH2+]C1CC[NH2+]CC1)CC(C)(C)CC[NH3+] ZINC001246331715 987739735 /nfs/dbraw/zinc/73/97/35/987739735.db2.gz CCYGVWMGULEENN-GFCCVEGCSA-N 3 0 241.423 1.729 20 0 BDADRP C[C@@H]1C[C@@H](N[C@H]2C[NH2+]CC[C@@H]2C)C[C@H](C)[NH2+]1 ZINC001246331967 987740199 /nfs/dbraw/zinc/74/01/99/987740199.db2.gz PDVWIGAHNKASIH-WJTVCTBASA-N 2 0 225.380 1.103 20 0 BDADRP [NH3+][C@@]12CC[C@@](N[C@@H]3CCCC[NH2+]C3)(C1)CCC2 ZINC001246334951 987742844 /nfs/dbraw/zinc/74/28/44/987742844.db2.gz UYJVPKJBZKKXSB-HZSPNIEDSA-N 2 0 237.391 1.522 20 0 BDADRP C[C@@H]1CC[C@H](N[C@@H]2C[NH2+]CCC2(C)C)C[NH2+]1 ZINC001246334021 987743172 /nfs/dbraw/zinc/74/31/72/987743172.db2.gz WTEUTYYPAHUHKC-GRYCIOLGSA-N 2 0 225.380 1.105 20 0 BDADRP CC(C)[C@@H]([NH3+])C[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246335607 987746068 /nfs/dbraw/zinc/74/60/68/987746068.db2.gz ZXTLRKBYARBBDH-OLZOCXBDSA-N 3 0 239.407 1.482 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCO[C@@H]2CCCCO2)CC[NH2+]1 ZINC001246342470 987751736 /nfs/dbraw/zinc/75/17/36/987751736.db2.gz AEQADIIRWFAVOI-JHJVBQTASA-N 2 0 242.363 1.260 20 0 BDADRP COC[C@H](C)[NH2+][C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001246342233 987751806 /nfs/dbraw/zinc/75/18/06/987751806.db2.gz SALHGEFXXSTPFN-TUAOUCFPSA-N 2 0 212.337 1.415 20 0 BDADRP C[C@@H]1CC[C@H](N[C@@H](C[NH3+])C(C)(C)C)C[NH2+]1 ZINC001246344971 987752681 /nfs/dbraw/zinc/75/26/81/987752681.db2.gz LRCUMTBLINHGEZ-VWYCJHECSA-N 2 0 213.369 1.090 20 0 BDADRP CN1CCC[C@H]([NH2+][C@@]23CC[C@@]([NH3+])(C2)CCC3)C1 ZINC001246341913 987752838 /nfs/dbraw/zinc/75/28/38/987752838.db2.gz QIKLMOBCVYJABM-MJBXVCDLSA-N 2 0 237.391 1.474 20 0 BDADRP COc1ccc2c(c1)C[C@@H](N[C@@H]1CCC[NH2+]C1)C2 ZINC001246356471 987765441 /nfs/dbraw/zinc/76/54/41/987765441.db2.gz IFMYEEJWAQSDKM-KGLIPLIRSA-N 2 0 246.354 1.504 20 0 BDADRP [NH3+]CCc1cccc(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001246367164 987772921 /nfs/dbraw/zinc/77/29/21/987772921.db2.gz SCNTUPNSMYMPLY-YIONKMFJSA-N 2 0 245.370 1.883 20 0 BDADRP CCCC[C@H](CC(C)C)[NH2+]CCNCC[NH3+] ZINC001246407772 987787457 /nfs/dbraw/zinc/78/74/57/987787457.db2.gz ZTDNNKAOBDOAAY-CYBMUJFWSA-N 2 0 229.412 1.729 20 0 BDADRP C[C@@H]1C[C@@H](N[C@H]2CC[NH2+]CC2(C)C)CC[NH2+]1 ZINC001246372338 987775688 /nfs/dbraw/zinc/77/56/88/987775688.db2.gz LEALCWMYOKZECJ-WOPDTQHZSA-N 2 0 225.380 1.105 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246371753 987775711 /nfs/dbraw/zinc/77/57/11/987775711.db2.gz JPYROPPBZWWNRA-ZGVCCVRISA-N 2 0 237.391 1.247 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCO[C@H](C)C2)CC[NH2+]1 ZINC001246395418 987782633 /nfs/dbraw/zinc/78/26/33/987782633.db2.gz MGJWVRZSRZLTNS-WYUUTHIRSA-N 2 0 212.337 1.284 20 0 BDADRP CC(C)[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCCNC1 ZINC001246396119 987783516 /nfs/dbraw/zinc/78/35/16/987783516.db2.gz BRRSZFNORJDKDI-IHRRRGAJSA-N 2 0 239.407 1.719 20 0 BDADRP CC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC12C[NH2+]C2 ZINC001246442803 987794175 /nfs/dbraw/zinc/79/41/75/987794175.db2.gz DWJUTXREBLMLJE-UONOGXRCSA-N 2 0 230.355 1.959 20 0 BDADRP COc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CC13C[NH2+]C3)C2 ZINC001246443988 987803135 /nfs/dbraw/zinc/80/31/35/987803135.db2.gz JCSNTVSDPJZDNE-GXTWGEPZSA-N 2 0 244.338 1.114 20 0 BDADRP CC[C@H](C)OCC[C@@H](C)[NH2+][C@H]1CC12C[NH2+]C2 ZINC001246443920 987803728 /nfs/dbraw/zinc/80/37/28/987803728.db2.gz IKBRLTHNCTYNKV-WOPDTQHZSA-N 2 0 226.364 1.532 20 0 BDADRP CSCC[C@H](C)[NH2+]CCCNCCC[NH3+] ZINC001246451405 987808458 /nfs/dbraw/zinc/80/84/58/987808458.db2.gz GDXRMIDZONFFCQ-NSHDSACASA-N 2 0 233.425 1.046 20 0 BDADRP CCC[C@@]1(CN[C@H]2CC[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC001246454184 987808564 /nfs/dbraw/zinc/80/85/64/987808564.db2.gz AFFXGNARWIGVTH-AVGNSLFASA-N 2 0 225.380 1.249 20 0 BDADRP CC1(C)CC[C@H]([NH2+]CCCNCCC[NH3+])C1 ZINC001246452640 987809009 /nfs/dbraw/zinc/80/90/09/987809009.db2.gz KVQXIOSGAGLEDM-LBPRGKRZSA-N 2 0 227.396 1.483 20 0 BDADRP COc1ccc(NC2CC[NH2+]CC2)cc1C[NH3+] ZINC001246453239 987810629 /nfs/dbraw/zinc/81/06/29/987810629.db2.gz MHPQODALBUACIE-UHFFFAOYSA-N 2 0 235.331 1.318 20 0 BDADRP CCC[C@H](C)[NH2+]CCC[NH2+]CCCC[NH3+] ZINC001246455851 987814524 /nfs/dbraw/zinc/81/45/24/987814524.db2.gz GTWLKOMFFXLTKY-LBPRGKRZSA-N 3 0 215.385 1.483 20 0 BDADRP CC[C@@H]1C[C@H](NCC[NH2+]C(C)C)C[C@H](CC)[NH2+]1 ZINC001246458959 987816170 /nfs/dbraw/zinc/81/61/70/987816170.db2.gz IDBHAKAWIBTBNK-WDNDVIMCSA-N 2 0 241.423 1.883 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CCC[NH2+]CCCC[NH3+])C1 ZINC001246458749 987817567 /nfs/dbraw/zinc/81/75/67/987817567.db2.gz VCQGNTFWNOCWSY-CHWSQXEVSA-N 3 0 227.396 1.483 20 0 BDADRP [NH3+]Cc1ccc(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1F ZINC001246465375 987822491 /nfs/dbraw/zinc/82/24/91/987822491.db2.gz XRVVSTGQFRHSBA-QYJAPNMZSA-N 2 0 249.333 1.979 20 0 BDADRP C[C@@]1([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@@H](O)CC1 ZINC001246462427 987823632 /nfs/dbraw/zinc/82/36/32/987823632.db2.gz RVCWXEZQTJZGRG-GRKNYDARSA-N 2 0 238.375 1.553 20 0 BDADRP C1CC12C[NH2+]CC[C@H]2NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246473769 987830775 /nfs/dbraw/zinc/83/07/75/987830775.db2.gz NHJVTQUOIQYCCJ-ZGVCCVRISA-N 2 0 235.375 1.001 20 0 BDADRP COC(=O)CC[C@H](C)[NH2+][C@H]1CCCC[C@H]1[NH3+] ZINC001246477215 987834096 /nfs/dbraw/zinc/83/40/96/987834096.db2.gz HKXSOZJFYGIAJT-AXFHLTTASA-N 2 0 228.336 1.188 20 0 BDADRP CC1(C)[C@@H]2C[C@H]([NH2+]C[C@@H]3CC[NH2+]C[C@@H]3F)C[C@@H]21 ZINC001246478209 987834592 /nfs/dbraw/zinc/83/45/92/987834592.db2.gz UUTAITFEGXGNJG-WJTVCTBASA-N 2 0 240.366 1.958 20 0 BDADRP [NH3+]Cc1ccc(CC[NH2+][C@H]2CCCNC2)cc1 ZINC001246483795 987842065 /nfs/dbraw/zinc/84/20/65/987842065.db2.gz OLLDJWDFCDMAQD-AWEZNQCLSA-N 2 0 233.359 1.029 20 0 BDADRP C[NH2+]CC[C@@H](C)[NH2+]CC[C@@H]1CCNCC1(F)F ZINC001246493313 987846248 /nfs/dbraw/zinc/84/62/48/987846248.db2.gz YAVIZLIYSZQXKC-MNOVXSKESA-N 2 0 249.349 1.209 20 0 BDADRP CC(C)[C@H]1C[C@H](N[C@@H]2C[NH2+]CC[C@H]2F)CC[NH2+]1 ZINC001246496662 987849613 /nfs/dbraw/zinc/84/96/13/987849613.db2.gz JZJRQLMLBRJPPO-FDYHWXHSSA-N 2 0 243.370 1.053 20 0 BDADRP CC(C)(C)[C@H]1C[C@@H](NC23CC([NH3+])(C2)C3)CC[NH2+]1 ZINC001246503613 987856340 /nfs/dbraw/zinc/85/63/40/987856340.db2.gz KYLUDYZRPPMGIB-YWBBTBBSSA-N 2 0 237.391 1.377 20 0 BDADRP CC[C@H]1C[C@H](N[C@H](C[NH3+])CC(C)C)CC[NH2+]1 ZINC001246503936 987857188 /nfs/dbraw/zinc/85/71/88/987857188.db2.gz NXROMTZRKAKLNQ-XQQFMLRXSA-N 2 0 227.396 1.480 20 0 BDADRP CC(C)N(C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)(C)C[NH3+] ZINC001246504839 987858630 /nfs/dbraw/zinc/85/86/30/987858630.db2.gz TUQIQLSWIXEGRH-FUNVUKJBSA-N 2 0 239.407 1.717 20 0 BDADRP CCCC[C@@H]1C[C@H](NC23CC([NH3+])(C2)C3)CC[NH2+]1 ZINC001246505272 987858970 /nfs/dbraw/zinc/85/89/70/987858970.db2.gz SGQBAQDLKLUGTN-IWMBGFJWSA-N 2 0 237.391 1.521 20 0 BDADRP [NH3+]C[C@@H](NC1C[C@@H]2C=C[C@H](C1)[NH2+]2)c1ccccc1 ZINC001246505707 987859114 /nfs/dbraw/zinc/85/91/14/987859114.db2.gz GQJXIELXRSCNAJ-IZGVIRRGSA-N 2 0 243.354 1.335 20 0 BDADRP CCCC[C@H]1C[C@H](NCC2([NH3+])CCC2)CC[NH2+]1 ZINC001246509432 987861021 /nfs/dbraw/zinc/86/10/21/987861021.db2.gz HVCJNKMYLCBDFB-QWHCGFSZSA-N 2 0 239.407 1.768 20 0 BDADRP CCCC[C@@H]1C[C@H](NCC2([NH3+])CCC2)CC[NH2+]1 ZINC001246509430 987863663 /nfs/dbraw/zinc/86/36/63/987863663.db2.gz HVCJNKMYLCBDFB-CHWSQXEVSA-N 2 0 239.407 1.768 20 0 BDADRP CCC1(CC[NH2+][C@H]2CC[NH2+][C@@H](C)C2)OCCO1 ZINC001246516255 987865529 /nfs/dbraw/zinc/86/55/29/987865529.db2.gz QYFYLMBPNGEVGO-RYUDHWBXSA-N 2 0 242.363 1.260 20 0 BDADRP C[C@@H]1CCC[C@@H](C)[NH+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246520718 987868685 /nfs/dbraw/zinc/86/86/85/987868685.db2.gz VMECDXCLVXAEFX-UPJWGTAASA-N 2 0 237.391 1.343 20 0 BDADRP C1CC2(C[NH2+]1)CCC([N@@H+]1CCCNCC1)CC2 ZINC001246526579 987877881 /nfs/dbraw/zinc/87/78/81/987877881.db2.gz ZLSDOXZRDPONTK-UHFFFAOYSA-N 2 0 237.391 1.204 20 0 BDADRP C[NH2+]C1CN([C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC001246526867 987879741 /nfs/dbraw/zinc/87/97/41/987879741.db2.gz KAFFSYRFPRBCCZ-GJZGRUSLSA-N 2 0 245.370 1.383 20 0 BDADRP [NH3+]CCCc1nccn1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246528870 987881998 /nfs/dbraw/zinc/88/19/98/987881998.db2.gz ZNEXDZPSAGQUBA-FOSCPWQOSA-N 2 0 234.347 1.230 20 0 BDADRP C1CCC2(CC1)C[C@@H](N1CC[NH2+]CC1)CC[NH2+]2 ZINC001246530078 987888044 /nfs/dbraw/zinc/88/80/44/987888044.db2.gz NQSFIAKIXOKWSU-ZDUSSCGKSA-N 2 0 237.391 1.347 20 0 BDADRP CCC[N@H+](CC1CC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246531839 987888098 /nfs/dbraw/zinc/88/80/98/987888098.db2.gz NYIFHGJVILVPOH-ZDUSSCGKSA-N 2 0 237.391 1.202 20 0 BDADRP CC[C@@H]1C[C@H](N2CC[C@](C)([NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246531675 987891003 /nfs/dbraw/zinc/89/10/03/987891003.db2.gz RSRICGLSDDVRAU-DGAVXFQQSA-N 2 0 239.407 1.719 20 0 BDADRP CCCC[C@@H]1C[C@@H](N2C[C@H]([NH3+])[C@@H](F)C2)CC[NH2+]1 ZINC001246533762 987891501 /nfs/dbraw/zinc/89/15/01/987891501.db2.gz NZQQLHGNIDZUOT-VOAKCMCISA-N 2 0 243.370 1.278 20 0 BDADRP CCSC[C@H](C)[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001246538306 987898690 /nfs/dbraw/zinc/89/86/90/987898690.db2.gz AWMZEIWFYBJBRI-QWRGUYRKSA-N 2 0 216.394 1.941 20 0 BDADRP C[C@H]1CC[C@@H](C[NH3+])N1[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246540051 987903105 /nfs/dbraw/zinc/90/31/05/987903105.db2.gz UNJBTMABSCOMJO-WJTVCTBASA-N 2 0 223.364 1.081 20 0 BDADRP C[C@H]1C[N@@H+](C2C[C@H]3CC(=O)C[C@@H]3C2)C[C@H]1C[NH3+] ZINC001246540599 987903883 /nfs/dbraw/zinc/90/38/83/987903883.db2.gz JZJHKEFXXHPXBE-FIQHERPVSA-N 2 0 236.359 1.271 20 0 BDADRP CC[C@H]1C[C@@H](N2[C@@H](C)CC[C@H]2C[NH3+])CC[NH2+]1 ZINC001246540583 987905093 /nfs/dbraw/zinc/90/50/93/987905093.db2.gz VTHFXESKLYAIRH-CYDGBPFRSA-N 2 0 225.380 1.329 20 0 BDADRP C[C@H]1C[N@@H+]([C@H]2CCCSC2)C[C@H]1C[NH3+] ZINC001246542244 987908934 /nfs/dbraw/zinc/90/89/34/987908934.db2.gz NZHGKQOZUBGAQC-AXFHLTTASA-N 2 0 214.378 1.409 20 0 BDADRP C[C@H](CC1CC1)[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246543903 987914735 /nfs/dbraw/zinc/91/47/35/987914735.db2.gz OVCXTVZXQUBORI-DGCLKSJQSA-N 2 0 226.364 1.351 20 0 BDADRP C[N@@H+]1CCC[C@@H](N2CCC[C@@](C)([NH3+])CC2)CC1 ZINC001246546841 987926970 /nfs/dbraw/zinc/92/69/70/987926970.db2.gz ATXGFRVJFFJRQU-ZIAGYGMSSA-N 2 0 239.407 1.674 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246550394 987944788 /nfs/dbraw/zinc/94/47/88/987944788.db2.gz PFKDTHRUEPOUPK-JHJVBQTASA-N 2 0 237.391 1.330 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCN1C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001246551598 987951544 /nfs/dbraw/zinc/95/15/44/987951544.db2.gz UJEFCPIINPUPMV-SYCZCVCYSA-N 2 0 237.391 1.423 20 0 BDADRP C[C@@H]1CC[C@H](N2CC[C@@H](C)[C@@H](C[NH3+])C2)C[NH2+]1 ZINC001246552471 987952494 /nfs/dbraw/zinc/95/24/94/987952494.db2.gz PGEUTPKJSCVWIW-NDBYEHHHSA-N 2 0 225.380 1.044 20 0 BDADRP C[C@@H]1CC[C@H](C[NH3+])N([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246553536 987956528 /nfs/dbraw/zinc/95/65/28/987956528.db2.gz BDIGKGYSBQTSRC-FVCCEPFGSA-N 2 0 225.380 1.186 20 0 BDADRP C[NH2+]C[C@@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246553286 987958864 /nfs/dbraw/zinc/95/88/64/987958864.db2.gz XZZAHJHLMQPYIN-ICIURTGMSA-N 2 0 237.391 1.201 20 0 BDADRP COC[C@@H](C)[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246553456 987958916 /nfs/dbraw/zinc/95/89/16/987958916.db2.gz SJPZZPIPAWNCTD-GHMZBOCLSA-N 2 0 200.326 1.225 20 0 BDADRP CC[N@@H+]1CC[C@H](N2CCC[C@](C)([NH3+])CC2)C1 ZINC001246554572 987962970 /nfs/dbraw/zinc/96/29/70/987962970.db2.gz WPAILHBBSMCLQY-STQMWFEESA-N 2 0 225.380 1.284 20 0 BDADRP C[C@@H]1CC[N@@H+](C2C[C@@H]3C=C[C@H](C2)[NH2+]3)CC[C@@H]1C[NH3+] ZINC001246557395 987976609 /nfs/dbraw/zinc/97/66/09/987976609.db2.gz LMCASZDJVSFKQE-ARJVPZMDSA-N 3 0 249.402 1.352 20 0 BDADRP CCN1CC[C@H]([N@@H+]2CCC[C@](F)(C[NH3+])CC2)C1 ZINC001246560270 987980317 /nfs/dbraw/zinc/98/03/17/987980317.db2.gz QFCNVQKIQCYVOG-QWHCGFSZSA-N 2 0 243.370 1.234 20 0 BDADRP C[C@@H]1C[N@@H+]([C@H]2CCC[C@@]3(CC[NH2+]C3)C2)C[C@H]1N ZINC001246559821 987980884 /nfs/dbraw/zinc/98/08/84/987980884.db2.gz FBRJKWPLMSXIGB-XJFOESAGSA-N 2 0 237.391 1.188 20 0 BDADRP CCN1CC[C@H]([N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)C1 ZINC001246560107 987982238 /nfs/dbraw/zinc/98/22/38/987982238.db2.gz PONYWERFHWPMQD-MJBXVCDLSA-N 2 0 239.407 1.387 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)CC[NH2+]1 ZINC001246563925 988011452 /nfs/dbraw/zinc/01/14/52/988011452.db2.gz YHIVVAFXSXOVBQ-REWJHTLYSA-N 3 0 239.407 1.434 20 0 BDADRP C[C@@H]1CN([C@H]2CCCC[NH2+]C2)CCC[C@H]1C[NH3+] ZINC001246564741 988017852 /nfs/dbraw/zinc/01/78/52/988017852.db2.gz GJXRQVYCSQZCQT-RDBSUJKOSA-N 2 0 239.407 1.435 20 0 BDADRP C[NH2+]CC[C@H](C)[N@@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001246564517 988019479 /nfs/dbraw/zinc/01/94/79/988019479.db2.gz XQGIKSBYTOBIFQ-AGIUHOORSA-N 3 0 227.396 1.291 20 0 BDADRP C[C@@H]1CC[C@H](N2CCC[C@@H](C[NH3+])[C@@H](C)C2)C[NH2+]1 ZINC001246564205 988020645 /nfs/dbraw/zinc/02/06/45/988020645.db2.gz FXGNEGGAGLFIOE-CRWXNKLISA-N 2 0 239.407 1.434 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+]C1CCC2(CC1)OCCO2 ZINC001118121893 988027763 /nfs/dbraw/zinc/02/77/63/988027763.db2.gz KOMIXGISTROWMP-LLVKDONJSA-N 2 0 242.363 1.260 20 0 BDADRP C[C@@H]1CC[N@@H+](C2CCC3(COC3)CC2)C[C@@H]1[NH3+] ZINC001246569421 988043666 /nfs/dbraw/zinc/04/36/66/988043666.db2.gz PIAHOGLMPOYHIY-YPMHNXCESA-N 2 0 238.375 1.615 20 0 BDADRP C[C@@H]1C[N@@H+](C2CCN(C)CC2)CCC[C@H]1C[NH3+] ZINC001246569683 988050597 /nfs/dbraw/zinc/05/05/97/988050597.db2.gz RVCLFHKNEKGQDS-OLZOCXBDSA-N 2 0 239.407 1.387 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@@H+](C2CCOCC2)CC1 ZINC001246576655 988082456 /nfs/dbraw/zinc/08/24/56/988082456.db2.gz MFRJSGZUIJXAIN-CYBMUJFWSA-N 2 0 226.364 1.616 20 0 BDADRP CC[C@H](CC(C)C)[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246582499 988110050 /nfs/dbraw/zinc/11/00/50/988110050.db2.gz ZSZKXBDZDYLCPH-QJPTWQEYSA-N 2 0 214.353 1.063 20 0 BDADRP C[NH+](C)C1CCC(N2C[C@H]([NH3+])C[C@H](F)C2)CC1 ZINC001246579794 988096708 /nfs/dbraw/zinc/09/67/08/988096708.db2.gz GXOWLKADULLBKX-ZFDZMSFRSA-N 2 0 243.370 1.230 20 0 BDADRP C[C@@H]1C[C@H](N2CCCC[C@@](F)(C[NH3+])C2)CC[NH2+]1 ZINC001246582184 988116888 /nfs/dbraw/zinc/11/68/88/988116888.db2.gz RIHXGEIVJAFOHR-JHJVBQTASA-N 2 0 243.370 1.280 20 0 BDADRP COC(=O)CC[C@@H](C)[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246581970 988117817 /nfs/dbraw/zinc/11/78/17/988117817.db2.gz LTLJAXORMFMKDI-NEPJUHHUSA-N 2 0 242.363 1.389 20 0 BDADRP CSC(C)(C)C[C@@H](C)[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246586418 988144535 /nfs/dbraw/zinc/14/45/35/988144535.db2.gz QFNCUKLFWVLWIJ-OUAUKWLOSA-N 2 0 246.420 1.158 20 0 BDADRP C[C@@H]1C[C@@H](N2[C@H](C)C[NH2+]C[C@@H]2C)C[C@H](C)[NH2+]1 ZINC001246586891 988146442 /nfs/dbraw/zinc/14/64/42/988146442.db2.gz PPIIMWMWUFVJCK-FOPUMGAHSA-N 2 0 225.380 1.198 20 0 BDADRP [NH3+][C@@H]1C[C@@H](F)CN([C@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC001246589347 988153449 /nfs/dbraw/zinc/15/34/49/988153449.db2.gz ZPOAGNJLBSZGFM-UTUOFQBUSA-N 2 0 241.354 1.032 20 0 BDADRP CCCCCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246589193 988158426 /nfs/dbraw/zinc/15/84/26/988158426.db2.gz ZJIWXNJURGZAOU-FRRDWIJNSA-N 2 0 228.380 1.597 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](C)N1[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246587843 988160313 /nfs/dbraw/zinc/16/03/13/988160313.db2.gz VEPVYVRAZQBNFE-GRYCIOLGSA-N 2 0 225.380 1.199 20 0 BDADRP C[C@H]1CCC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246589854 988165435 /nfs/dbraw/zinc/16/54/35/988165435.db2.gz GZOAJSFRWIWDHP-STQMWFEESA-N 2 0 237.391 1.202 20 0 BDADRP CC[N@@H+]1CC[C@@H](N2CCCC[C@@](C)(C[NH3+])C2)C1 ZINC001246593393 988179237 /nfs/dbraw/zinc/17/92/37/988179237.db2.gz MSEPVVWXXIOOIK-KGLIPLIRSA-N 2 0 239.407 1.532 20 0 BDADRP [NH3+]C[C@H]1CCCC[N@@H+]([C@@H]2CCC[NH2+]CC2)C1 ZINC001246594381 988187044 /nfs/dbraw/zinc/18/70/44/988187044.db2.gz QIULNFJFAMKGCA-CHWSQXEVSA-N 3 0 225.380 1.189 20 0 BDADRP CC1(C[NH3+])C[NH+](C2CCSCC2)C1 ZINC001246599844 988204600 /nfs/dbraw/zinc/20/46/00/988204600.db2.gz QWYOYZYLWYTENT-UHFFFAOYSA-N 2 0 200.351 1.163 20 0 BDADRP C[C@H]1CC[C@H](N2CCC3(CC([NH3+])C3)CC2)C[NH2+]1 ZINC001246600779 988207003 /nfs/dbraw/zinc/20/70/03/988207003.db2.gz IFYIBCURKFGZBX-AAEUAGOBSA-N 2 0 237.391 1.330 20 0 BDADRP CCCC[C@H](C)[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246604141 988215080 /nfs/dbraw/zinc/21/50/80/988215080.db2.gz NHBAQRCDGLPPDX-ZDUSSCGKSA-N 2 0 239.407 1.593 20 0 BDADRP CCCC[C@@H]1C[C@@H](N2CCC23C[NH2+]C3)CC[NH2+]1 ZINC001246605436 988215938 /nfs/dbraw/zinc/21/59/38/988215938.db2.gz JMVAFZBWLXECMY-OLZOCXBDSA-N 2 0 237.391 1.345 20 0 BDADRP C1C[C@]2(CCC[NH2+]C2)N1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246603034 988217800 /nfs/dbraw/zinc/21/78/00/988217800.db2.gz LWTXCYRJMVGRTO-PIGZVRMJSA-N 2 0 235.375 1.097 20 0 BDADRP C1C[N@H+]([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)[C@@]2(C1)CCC[NH2+]C2 ZINC001246608807 988222833 /nfs/dbraw/zinc/22/28/33/988222833.db2.gz JYHHTOJUEUCJMF-CBBWQLFWSA-N 3 0 249.402 1.202 20 0 BDADRP C1CN([C@@H]2CCC[NH2+]CC2)[C@@]2(C1)CCC[NH2+]C2 ZINC001246611997 988242340 /nfs/dbraw/zinc/24/23/40/988242340.db2.gz VZOKPAVPCYNXPP-ZIAGYGMSSA-N 2 0 237.391 1.347 20 0 BDADRP C1C[NH2+]C[C@H](N2CCC[C@@]3(CCC[NH2+]C3)C2)C1 ZINC001246610248 988245695 /nfs/dbraw/zinc/24/56/95/988245695.db2.gz OURNUZWUEOTSDA-ZIAGYGMSSA-N 2 0 237.391 1.204 20 0 BDADRP C[C@H]1CC[C@H]([N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)C1 ZINC001246618525 988252329 /nfs/dbraw/zinc/25/23/29/988252329.db2.gz LQLYAAPFAFINLG-XUXIUFHCSA-N 2 0 237.391 1.201 20 0 BDADRP C[C@@H]1CC[C@H](N2CC[C@@]3(C2)CCCC[NH2+]3)C[NH2+]1 ZINC001246627031 988295705 /nfs/dbraw/zinc/29/57/05/988295705.db2.gz WEBIUDRRHWXHAX-HZSPNIEDSA-N 2 0 237.391 1.345 20 0 BDADRP CC[C@@H]1C[C@@H]([NH+]2CCC(F)(C[NH3+])CC2)CC[NH2+]1 ZINC001246630096 988309831 /nfs/dbraw/zinc/30/98/31/988309831.db2.gz RSDSRLLIUNORGA-NEPJUHHUSA-N 3 0 243.370 1.280 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2CC[C@@H]3[NH2+]CC[C@H]32)CC[NH2+]1 ZINC001246634779 988321985 /nfs/dbraw/zinc/32/19/85/988321985.db2.gz PHMJBBOBIRHQNS-ZOBORPQBSA-N 2 0 237.391 1.199 20 0 BDADRP CC[C@@H]1C[C@H]([N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)CCO1 ZINC001246636254 988324051 /nfs/dbraw/zinc/32/40/51/988324051.db2.gz FZABYFZXUGTVPB-FDYHWXHSSA-N 2 0 224.348 1.380 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@]3(CCOC3)C2)CC[NH2+]1 ZINC001246645507 988362774 /nfs/dbraw/zinc/36/27/74/988362774.db2.gz BSJWYXHYNVWVKC-MGPQQGTHSA-N 2 0 238.375 1.629 20 0 BDADRP CC(C)[C@H]1C[C@@H](N2CC[C@H]3C[NH2+]C[C@H]32)CC[NH2+]1 ZINC001246648261 988369750 /nfs/dbraw/zinc/36/97/50/988369750.db2.gz XHJARYLNXDDUSN-IGQOVBAYSA-N 2 0 237.391 1.057 20 0 BDADRP C1CC2(C[NH2+]1)CCC([N@@H+]1CC[C@H]3C[NH2+]C[C@H]31)CC2 ZINC001246648352 988372799 /nfs/dbraw/zinc/37/27/99/988372799.db2.gz XUIHQJYABJQXGI-FGZQJIAISA-N 3 0 249.402 1.202 20 0 BDADRP COC[C@@H](C)[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001246653968 988378691 /nfs/dbraw/zinc/37/86/91/988378691.db2.gz GCAHFWOTLZAHGY-OCCSQVGLSA-N 2 0 240.391 1.875 20 0 BDADRP C1[NH2+]CC12C[C@@H]([N@@H+]1CC[C@H]3CCC[C@H]3C1)CCN2 ZINC001246655842 988383798 /nfs/dbraw/zinc/38/37/98/988383798.db2.gz LQBYEQZQJNVWLN-RDBSUJKOSA-N 2 0 249.402 1.202 20 0 BDADRP CCCC[C@@H]1C[C@H]([N@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)CC[NH2+]1 ZINC001246660675 988390350 /nfs/dbraw/zinc/39/03/50/988390350.db2.gz IVDFXZKWGJUXKH-XGFWRYKXSA-N 3 0 237.391 1.186 20 0 BDADRP CCCC[C@H]1C[C@H]([N@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)CC[NH2+]1 ZINC001246660674 988392451 /nfs/dbraw/zinc/39/24/51/988392451.db2.gz IVDFXZKWGJUXKH-VJTDZRGJSA-N 3 0 237.391 1.186 20 0 BDADRP CCCC[C@@H]1C[C@H](N2CC[NH2+][C@@H]3C[C@@H]32)CC[NH2+]1 ZINC001246667305 988409484 /nfs/dbraw/zinc/40/94/84/988409484.db2.gz YUVKRXXFZPONDG-SYQHCUMBSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@H]1CNCC[N@@H+]1[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246675857 988421134 /nfs/dbraw/zinc/42/11/34/988421134.db2.gz YOIXEGOZXJYYTJ-BFHYXJOUSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@@H]1C[C@@H](N2C[C@H](C)[NH2+]C[C@H]2C)C[C@H](C)[NH2+]1 ZINC001246694172 988445094 /nfs/dbraw/zinc/44/50/94/988445094.db2.gz VRSICDZLVDGJLJ-OFTGVCEQSA-N 2 0 225.380 1.198 20 0 BDADRP CC(C)[C@@H]1C[NH2+]CCN1[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246695008 988445224 /nfs/dbraw/zinc/44/52/24/988445224.db2.gz KDLLJWZESYLJSV-STQMWFEESA-N 2 0 239.407 1.447 20 0 BDADRP CC(C)[C@@H]1C[NH2+]CCN1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246695091 988445231 /nfs/dbraw/zinc/44/52/31/988445231.db2.gz LSENCNAWXZCWIL-AGIUHOORSA-N 2 0 225.380 1.057 20 0 BDADRP C[C@H]1CC[C@H](N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)C[NH2+]1 ZINC001246700458 988447227 /nfs/dbraw/zinc/44/72/27/988447227.db2.gz JBRFXEKOPLWZMZ-CRWXNKLISA-N 2 0 237.391 1.010 20 0 BDADRP CC1(C)CNCC[N@@H+]1C1CCC2(C[NH2+]C2)CC1 ZINC001246811077 988490238 /nfs/dbraw/zinc/49/02/38/988490238.db2.gz RKJSPDJNCDEMNJ-UHFFFAOYSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CC[C@]3(CC3(F)F)C2)CC[NH2+]1 ZINC001246806237 988492320 /nfs/dbraw/zinc/49/23/20/988492320.db2.gz HDVMBYIRCBFAOE-MXWKQRLJSA-N 2 0 230.302 1.858 20 0 BDADRP COC(C)(C)[C@@H]1CCC[N@@H+]1[C@H]1CCC[NH2+]C1 ZINC001246812332 988496631 /nfs/dbraw/zinc/49/66/31/988496631.db2.gz YUIFUENSWDECDY-RYUDHWBXSA-N 2 0 226.364 1.628 20 0 BDADRP C[C@@H]1CN([C@@H]2CC[NH2+]C(C)(C)C2)C[C@H](C)[NH2+]1 ZINC001246823218 988506949 /nfs/dbraw/zinc/50/69/49/988506949.db2.gz DIFOHKAVMZVIKQ-GRYCIOLGSA-N 2 0 225.380 1.199 20 0 BDADRP CC(C)C[C@H]1CN([C@@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC001246820025 988510732 /nfs/dbraw/zinc/51/07/32/988510732.db2.gz FZWMFPZTLQUERT-UONOGXRCSA-N 2 0 239.407 1.448 20 0 BDADRP CC(C)C[C@H]1CN([C@H]2CC[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC001246822782 988510872 /nfs/dbraw/zinc/51/08/72/988510872.db2.gz NFSFDGIAHIKLPB-IHRRRGAJSA-N 2 0 239.407 1.447 20 0 BDADRP C[C@@H]1CN([C@H]2CC[NH2+]C(C)(C)C2)C[C@H](C)[NH2+]1 ZINC001246823219 988511338 /nfs/dbraw/zinc/51/13/38/988511338.db2.gz DIFOHKAVMZVIKQ-TUAOUCFPSA-N 2 0 225.380 1.199 20 0 BDADRP c1ccc([C@H]2CN([C@@H]3CCC[NH2+]C3)CC[NH2+]2)cc1 ZINC001246827969 988514645 /nfs/dbraw/zinc/51/46/45/988514645.db2.gz PBTQHMGLNJYFCU-HUUCEWRRSA-N 2 0 245.370 1.385 20 0 BDADRP C[C@@H]1CC[C@@H](N(CC[NH3+])CC[NH3+])C[C@@H]1C ZINC001246833051 988530106 /nfs/dbraw/zinc/53/01/06/988530106.db2.gz RFFHOHTXFBTZAN-GRYCIOLGSA-N 2 0 213.369 1.031 20 0 BDADRP CN(C[C@H]1CCC[NH2+]C1)[C@@H]1CCCC[NH2+]C1 ZINC001246845413 988558870 /nfs/dbraw/zinc/55/88/70/988558870.db2.gz FZGVDDHBAJEYDH-QWHCGFSZSA-N 2 0 225.380 1.060 20 0 BDADRP CC1(C)CC[C@H]([N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)C1 ZINC001246849673 988561613 /nfs/dbraw/zinc/56/16/13/988561613.db2.gz AMKGETCEQBQFPP-GVXVVHGQSA-N 2 0 208.349 1.988 20 0 BDADRP C[NH2+]Cc1cccc(N[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC001246848773 988562521 /nfs/dbraw/zinc/56/25/21/988562521.db2.gz DXDJYGKRVRTOSQ-BXUZGUMPSA-N 2 0 233.359 1.958 20 0 BDADRP C[C@@H]1CCC[C@H]([N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)C1 ZINC001246850665 988563441 /nfs/dbraw/zinc/56/34/41/988563441.db2.gz CNFFIVJRCIIOCJ-NDBYEHHHSA-N 2 0 208.349 1.988 20 0 BDADRP [NH3+][C@]12CC[C@@H]1CN([C@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)C2 ZINC001246852775 988568048 /nfs/dbraw/zinc/56/80/48/988568048.db2.gz KPBQDLGEFMCYDL-DGTMBMJNSA-N 2 0 235.375 1.083 20 0 BDADRP CC[C@@H]1C[C@H](N(CC)[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC001246853310 988569757 /nfs/dbraw/zinc/56/97/57/988569757.db2.gz UUZLJQHBJJZJMH-UPJWGTAASA-N 2 0 225.380 1.201 20 0 BDADRP CCN([C@@H]1CCC[NH2+]C1)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246853198 988573580 /nfs/dbraw/zinc/57/35/80/988573580.db2.gz HYDNWOVFLHRUFT-YNEHKIRRSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)CC[NH2+]1 ZINC001246858364 988590193 /nfs/dbraw/zinc/59/01/93/988590193.db2.gz GASNYFMBGSQHJV-DGORSVRFSA-N 2 0 212.312 1.559 20 0 BDADRP CC1CCC([N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])CC1 ZINC001246858759 988592991 /nfs/dbraw/zinc/59/29/91/988592991.db2.gz HALQDEIOLVFRSV-HPCMXSDISA-N 2 0 238.375 1.471 20 0 BDADRP C1CC1N(C1C[NH2+]C1)[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246861779 988600197 /nfs/dbraw/zinc/60/01/97/988600197.db2.gz DUEINCQLLLIUSH-UKRRQHHQSA-N 2 0 249.402 1.345 20 0 BDADRP c1ncn([C@@H]2CCC[NH2+]C2)c1C1CC[NH2+]CC1 ZINC001246868397 988630246 /nfs/dbraw/zinc/63/02/46/988630246.db2.gz SMGVLHQNBSZKTH-GFCCVEGCSA-N 2 0 234.347 1.275 20 0 BDADRP C[N@H+](C1CC1)C1CCN([C@@H]2CCC[NH2+]C2)CC1 ZINC001246873078 988635275 /nfs/dbraw/zinc/63/52/75/988635275.db2.gz DEUMLAIIEAPUMJ-CQSZACIVSA-N 2 0 237.391 1.297 20 0 BDADRP C[NH2+]C1CCC([NH+]2[C@H](C)CNC[C@H]2C)CC1 ZINC001246882024 988648051 /nfs/dbraw/zinc/64/80/51/988648051.db2.gz GRJYTLRKNHRAAD-OKZRHMCRSA-N 2 0 225.380 1.199 20 0 BDADRP C1[NH2+]CC12CCC([N@H+]1C[C@H]3CCC[C@@H](C1)N3)CC2 ZINC001246881859 988648868 /nfs/dbraw/zinc/64/88/68/988648868.db2.gz NXXFOQYIELCNMM-BETUJISGSA-N 2 0 249.402 1.345 20 0 BDADRP CC(C)[C@@H]1[NH2+]CCc2ncn(C3CC[NH2+]CC3)c21 ZINC001246882929 988649391 /nfs/dbraw/zinc/64/93/91/988649391.db2.gz KFAKUZBNVGIFRY-ZDUSSCGKSA-N 2 0 248.374 1.650 20 0 BDADRP CCC[C@H]1CN([C@@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC001246896715 988658449 /nfs/dbraw/zinc/65/84/49/988658449.db2.gz AETMTNKRFGCKGL-QWHCGFSZSA-N 2 0 225.380 1.202 20 0 BDADRP CCN(CC[NH2+]C)[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246890716 988658620 /nfs/dbraw/zinc/65/86/20/988658620.db2.gz KVNGMMMKTXVKMY-UONOGXRCSA-N 2 0 239.407 1.450 20 0 BDADRP CCCC[C@H]1CN(C2C[C@@H]3C=C[C@H](C2)[NH2+]3)CC[NH2+]1 ZINC001246890606 988659323 /nfs/dbraw/zinc/65/93/23/988659323.db2.gz JHSKIGCYVHAZCI-MBOZISHXSA-N 2 0 249.402 1.509 20 0 BDADRP CC[C@@H]1CC([N@H+](C)CCCC[NH3+])C[C@@H](CC)[NH2+]1 ZINC001246890577 988660172 /nfs/dbraw/zinc/66/01/72/988660172.db2.gz IKVDNDKSPMDCAS-CHWSQXEVSA-N 3 0 241.423 1.966 20 0 BDADRP CCN(CC[NH3+])[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246889283 988660907 /nfs/dbraw/zinc/66/09/07/988660907.db2.gz FPAFQEGMIPJPMG-NEPJUHHUSA-N 2 0 227.396 1.434 20 0 BDADRP CCC[C@H]1CN([C@H]2CC[NH2+][C@H](C)C2)CC[NH2+]1 ZINC001246895396 988666124 /nfs/dbraw/zinc/66/61/24/988666124.db2.gz CEGHCZQFMUIOGC-AGIUHOORSA-N 2 0 225.380 1.201 20 0 BDADRP CCC[C@H]1C[N@@H+]([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)CCN1 ZINC001246896861 988670998 /nfs/dbraw/zinc/67/09/98/988670998.db2.gz BKKYUFAFPQQNRY-CRWXNKLISA-N 2 0 237.391 1.058 20 0 BDADRP CCCC[C@H]1CN(C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246902110 988674012 /nfs/dbraw/zinc/67/40/12/988674012.db2.gz HTDLFBXERMAQDA-LBPRGKRZSA-N 2 0 225.380 1.202 20 0 BDADRP CCC[C@H]1CN(C2C[C@H](C)[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC001246901889 988674469 /nfs/dbraw/zinc/67/44/69/988674469.db2.gz FEPMCXYMQMGZRK-AVGNSLFASA-N 2 0 239.407 1.589 20 0 BDADRP C[NH2+][C@H]1CCN1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246901407 988675745 /nfs/dbraw/zinc/67/57/45/988675745.db2.gz XCDZINGIEHKADL-CYBMUJFWSA-N 2 0 237.391 1.550 20 0 BDADRP CN([C@@H]1CCCC[C@@H]1[NH3+])[C@@H]1CCCC[NH2+]C1 ZINC001246907166 988677367 /nfs/dbraw/zinc/67/73/67/988677367.db2.gz DMHFNBVLZQBBSJ-FRRDWIJNSA-N 2 0 225.380 1.330 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@@H]1CN ZINC001246906821 988684415 /nfs/dbraw/zinc/68/44/15/988684415.db2.gz BANGSNQCKCSGQS-ZIAGYGMSSA-N 2 0 241.423 1.920 20 0 BDADRP CN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1(C)CC[NH2+]CC1 ZINC001246912280 988698237 /nfs/dbraw/zinc/69/82/37/988698237.db2.gz RIIKQIWOURHFPQ-FUNVUKJBSA-N 2 0 237.391 1.343 20 0 BDADRP C1CC1N([C@H]1CCC[NH2+]C1)[C@@H]1CCCC[NH2+]C1 ZINC001246911702 988698259 /nfs/dbraw/zinc/69/82/59/988698259.db2.gz DGXOYFCRRFDSQC-KGLIPLIRSA-N 2 0 237.391 1.345 20 0 BDADRP C[N@H+](CCO)[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246911665 988699330 /nfs/dbraw/zinc/69/93/30/988699330.db2.gz IHPICQCMAQKWRM-HUUCEWRRSA-N 2 0 248.370 1.274 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001246915585 988703952 /nfs/dbraw/zinc/70/39/52/988703952.db2.gz GXJALRZKGKIXTC-AVGNSLFASA-N 2 0 225.380 1.010 20 0 BDADRP CN([C@H]1CC[NH2+]C(C)(C)C1)[C@]1(C)CCC[NH2+]C1 ZINC001246915141 988705538 /nfs/dbraw/zinc/70/55/38/988705538.db2.gz VLVKGGWOYDXTJZ-GXTWGEPZSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@H]1C[C@H](N(C2CC2)[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246915057 988706882 /nfs/dbraw/zinc/70/68/82/988706882.db2.gz KDQSDJFHTCQQCG-YUTCNCBUSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@H]([NH3+])CN1CC[C@H]2CSC[C@@H]2C1 ZINC001118932739 988715161 /nfs/dbraw/zinc/71/51/61/988715161.db2.gz CHCKVXWYROSWQG-GUBZILKMSA-N 2 0 200.351 1.019 20 0 BDADRP C[NH2+]CC[C@H](C)N(C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001246918525 988719115 /nfs/dbraw/zinc/71/91/15/988719115.db2.gz KZHYDJPGWGQTET-SDDRHHMPSA-N 2 0 213.369 1.186 20 0 BDADRP C[C@H]1C[C@H](n2ccc3c2CC[NH2+]C3)CC[NH2+]1 ZINC001246920045 988732253 /nfs/dbraw/zinc/73/22/53/988732253.db2.gz ITJWCMBNTHAVHO-CMPLNLGQSA-N 2 0 219.332 1.447 20 0 BDADRP CC[C@@H]1CC(N2C[C@@H]3C[NH2+]C[C@H]32)C[C@@H](CC)[NH2+]1 ZINC001246921954 988739965 /nfs/dbraw/zinc/73/99/65/988739965.db2.gz TWRBDKIIVXEAEG-FMCLSXCISA-N 2 0 237.391 1.199 20 0 BDADRP CCC[C@@H]1CNCC[N@@H+]1[C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246925070 988744925 /nfs/dbraw/zinc/74/49/25/988744925.db2.gz LKSMNKKTYCPKOQ-RQJABVFESA-N 2 0 237.391 1.058 20 0 BDADRP C1C[C@@H]([N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CS1 ZINC001246929172 988748243 /nfs/dbraw/zinc/74/82/43/988748243.db2.gz CGCQBNBQFKCYAG-GRYCIOLGSA-N 2 0 226.389 1.423 20 0 BDADRP C[C@@H]1[C@@H]([NH3+])CCCN1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246938923 988766063 /nfs/dbraw/zinc/76/60/63/988766063.db2.gz PIHDQWYLFSTYSU-VKYHIEHISA-N 2 0 223.364 1.081 20 0 BDADRP C1[C@@H]2CC[NH2+]CC[C@@H]2C[N@H+]1[C@@H]1CCCSC1 ZINC001246935686 988766651 /nfs/dbraw/zinc/76/66/51/988766651.db2.gz WIXOQUWBQNKIFT-FRRDWIJNSA-N 2 0 240.416 1.813 20 0 BDADRP CCCN([C@H]1CC[NH2+]C1)[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246943023 988773830 /nfs/dbraw/zinc/77/38/30/988773830.db2.gz SSPRMCPAFBGWMN-OLZOCXBDSA-N 2 0 239.407 1.591 20 0 BDADRP C[NH2+]CCN(C1CC[NH2+]CC1)C(C)(C)C ZINC001246944103 988778359 /nfs/dbraw/zinc/77/83/59/988778359.db2.gz AMEDMDJXGKSEDJ-UHFFFAOYSA-N 2 0 213.369 1.058 20 0 BDADRP C[NH2+]CCN([C@@H]1CC[C@@H](C)[NH2+]C1)C(C)(C)C ZINC001246949859 988779894 /nfs/dbraw/zinc/77/98/94/988779894.db2.gz RAGWIOOLUAEMBY-VXGBXAGGSA-N 2 0 227.396 1.447 20 0 BDADRP CCCN([C@@H]1CC[NH2+]C1)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246944257 988781943 /nfs/dbraw/zinc/78/19/43/988781943.db2.gz WIKHQRKDLZNMEV-FRRDWIJNSA-N 2 0 225.380 1.201 20 0 BDADRP CC[C@H]([NH3+])CN(C)[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246972701 988785061 /nfs/dbraw/zinc/78/50/61/988785061.db2.gz FELBYAUFZCDPSV-RYUDHWBXSA-N 2 0 225.380 1.330 20 0 BDADRP CC(C)N([C@H]1C[NH2+][C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC001246954165 988785935 /nfs/dbraw/zinc/78/59/35/988785935.db2.gz IZCGXCSHKGMGFG-JHJVBQTASA-N 2 0 225.380 1.199 20 0 BDADRP CC(C)CN([C@@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC001246952172 988786555 /nfs/dbraw/zinc/78/65/55/988786555.db2.gz YQQXZHUDLZUJDB-OKILXGFUSA-N 2 0 239.407 1.448 20 0 BDADRP CC[N@H+](C)C1CCN([C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246948971 988788774 /nfs/dbraw/zinc/78/87/74/988788774.db2.gz HFVFKCFIWKGZRN-GXTWGEPZSA-N 2 0 239.407 1.543 20 0 BDADRP C[NH2+]CCN([C@H]1CC[NH2+][C@@H](C)C1)C(C)(C)C ZINC001246950468 988788927 /nfs/dbraw/zinc/78/89/27/988788927.db2.gz VLDGGUCFSJGPPW-RYUDHWBXSA-N 2 0 227.396 1.447 20 0 BDADRP CCCN(C[C@@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC001246977013 988805373 /nfs/dbraw/zinc/80/53/73/988805373.db2.gz RFTOFTMPCDOYHU-OLZOCXBDSA-N 2 0 225.380 1.060 20 0 BDADRP CCCN(C[C@@H]1CC[NH2+]C1)[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246976492 988806451 /nfs/dbraw/zinc/80/64/51/988806451.db2.gz QRQPDRYSKBWELD-MJBXVCDLSA-N 2 0 239.407 1.448 20 0 BDADRP CC(C)OCC[C@H](C)[N@H+](C)C[C@H](C)[NH3+] ZINC001246979454 988810503 /nfs/dbraw/zinc/81/05/03/988810503.db2.gz ALQPQSMXWWNHJL-QWRGUYRKSA-N 2 0 202.342 1.469 20 0 BDADRP CC[N@@H+]1CCN([C@@H]2CC[NH2+][C@H](C)C2)C(C)(C)C1 ZINC001246994570 988829299 /nfs/dbraw/zinc/82/92/99/988829299.db2.gz PVWKATVHCKEKMK-CHWSQXEVSA-N 2 0 239.407 1.543 20 0 BDADRP C[C@@H]1CC[C@@H](N2CCC3(CC[C@@H]3[NH3+])CC2)C[NH2+]1 ZINC001247000704 988831029 /nfs/dbraw/zinc/83/10/29/988831029.db2.gz HGVIPDZEVIHONZ-UPJWGTAASA-N 2 0 237.391 1.330 20 0 BDADRP CC[N@@H+]1CCN([C@@H]2CC[NH2+][C@@H](C)C2)[C@H](C)C1 ZINC001246997928 988833918 /nfs/dbraw/zinc/83/39/18/988833918.db2.gz WDWGGQBVTRAPLR-YNEHKIRRSA-N 2 0 225.380 1.153 20 0 BDADRP C[N@@H+]1CCC[C@H](N2CC[C@@H]3[NH2+]CCC[C@H]3C2)C1 ZINC001247016400 988842912 /nfs/dbraw/zinc/84/29/12/988842912.db2.gz UUFLRNCFEQMMGF-IHRRRGAJSA-N 2 0 237.391 1.155 20 0 BDADRP C[N@@H+]1CCC[C@H](N2CC[C@@H]3[NH2+]CCC[C@@H]3C2)C1 ZINC001247016402 988845875 /nfs/dbraw/zinc/84/58/75/988845875.db2.gz UUFLRNCFEQMMGF-RDBSUJKOSA-N 2 0 237.391 1.155 20 0 BDADRP CC(C)([NH3+])CCNC(=O)CCCCCC[NH3+] ZINC001119312490 988927866 /nfs/dbraw/zinc/92/78/66/988927866.db2.gz PDSQJXDNILCXHI-UHFFFAOYSA-N 2 0 229.368 1.139 20 0 BDADRP C[C@H]1COC[C@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC001119632165 989266954 /nfs/dbraw/zinc/26/69/54/989266954.db2.gz NQBVRNRPVQCDLM-WNYYMSAVSA-N 2 0 212.337 1.128 20 0 BDADRP CC[N@@H+]1CCC[C@H](CN[C@@H](C)C[C@@H](C)[NH3+])C1 ZINC001326036494 989336840 /nfs/dbraw/zinc/33/68/40/989336840.db2.gz HRGSPGCTVHUCRU-FRRDWIJNSA-N 2 0 227.396 1.434 20 0 BDADRP CC(C)C[NH2+]CC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC001326595023 989619869 /nfs/dbraw/zinc/61/98/69/989619869.db2.gz FRNLVCIFBHMSLJ-UHFFFAOYSA-N 2 0 247.342 1.474 20 0 BDADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](CC(C)(C)[NH3+])C[C@H]2C1 ZINC001120269335 989625103 /nfs/dbraw/zinc/62/51/03/989625103.db2.gz QCTKZWNISAAZRL-JHJVBQTASA-N 3 0 239.407 1.386 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCC3)C1 ZINC001120386783 989648952 /nfs/dbraw/zinc/64/89/52/989648952.db2.gz GVKXVSZUBVFENO-HDJSIYSDSA-N 2 0 216.328 1.755 20 0 BDADRP CCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CC[NH3+] ZINC001326688030 989653823 /nfs/dbraw/zinc/65/38/23/989653823.db2.gz MZZSKYQQHYKABO-NEPJUHHUSA-N 2 0 241.379 1.104 20 0 BDADRP CC[C@@]1(C(=O)N[C@@H](C)CCCC[NH3+])CC[NH2+]C1 ZINC001326780824 989701220 /nfs/dbraw/zinc/70/12/20/989701220.db2.gz OMEXYGOAWOZTFH-WCQYABFASA-N 2 0 241.379 1.010 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+]C[C@H](O)C1CC1 ZINC001120569579 989737264 /nfs/dbraw/zinc/73/72/64/989737264.db2.gz BYNJXMYVYAFRPT-LBPRGKRZSA-N 2 0 214.353 1.077 20 0 BDADRP C[NH2+][C@@H](C)CCNC(=O)[C@](C)(C[NH3+])CC(C)C ZINC001120547521 989711403 /nfs/dbraw/zinc/71/14/03/989711403.db2.gz YFHAYLYWVNAAKQ-AAEUAGOBSA-N 2 0 243.395 1.112 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)N(C)C1(C[NH3+])CCC1 ZINC001521546331 989739304 /nfs/dbraw/zinc/73/93/04/989739304.db2.gz GLFNAIHAURFEHS-NSHDSACASA-N 2 0 241.379 1.090 20 0 BDADRP CCC[NH2+][C@@H](C)C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001522512512 989860271 /nfs/dbraw/zinc/86/02/71/989860271.db2.gz ROTWJOALUZFDMP-JTQLQIEISA-N 2 0 247.342 1.616 20 0 BDADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC001122017895 990187257 /nfs/dbraw/zinc/18/72/57/990187257.db2.gz ZCZMAXDIYXEFHY-BJDJZHNGSA-N 2 0 241.379 1.136 20 0 BDADRP C[NH2+]CCN(C(=O)C[C@@H]([NH3+])CC(C)C)C(C)C ZINC001122258113 990310464 /nfs/dbraw/zinc/31/04/64/990310464.db2.gz LLOIEXPKWMTJRN-LBPRGKRZSA-N 2 0 243.395 1.206 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)Nc1ccccc1C[NH3+] ZINC001122433964 990384208 /nfs/dbraw/zinc/38/42/08/990384208.db2.gz XVLTUXBITLKSKH-CMPLNLGQSA-N 2 0 247.342 1.457 20 0 BDADRP CCOC(=O)CCC[C@H](C)N1CCC[C@H]([NH3+])C1 ZINC001258105961 991015793 /nfs/dbraw/zinc/01/57/93/991015793.db2.gz VFOBLPUGDMYOLU-RYUDHWBXSA-N 2 0 242.363 1.531 20 0 BDADRP CC(C)[C@H](CO)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC001308556892 991035233 /nfs/dbraw/zinc/03/52/33/991035233.db2.gz NVWSJZTVCBUNHM-RYUDHWBXSA-N 2 0 228.380 1.466 20 0 BDADRP Cc1cnccc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001308555394 991037452 /nfs/dbraw/zinc/03/74/52/991037452.db2.gz VOMWUDIWFOBCSF-SOUVJXGZSA-N 2 0 245.370 1.820 20 0 BDADRP C[C@@H](C[NH3+])C[N@H+](C)[C@@H](C)Cc1ccco1 ZINC001258181300 991079773 /nfs/dbraw/zinc/07/97/73/991079773.db2.gz MKNWUJUCMDNPSY-QWRGUYRKSA-N 2 0 210.321 1.737 20 0 BDADRP CCC[N@H+](CCC[NH3+])[C@@H](C)CCC(=O)OC ZINC001258346345 991272190 /nfs/dbraw/zinc/27/21/90/991272190.db2.gz BXKCOSMCJKDURY-NSHDSACASA-N 2 0 230.352 1.389 20 0 BDADRP COC(=O)CC[C@@H](C)[NH2+]CCCCCCC[NH3+] ZINC001258361286 991300357 /nfs/dbraw/zinc/30/03/57/991300357.db2.gz SXZCGMBHBHYHGL-GFCCVEGCSA-N 2 0 244.379 1.827 20 0 BDADRP C[C@@H](CC[NH3+])NC(=O)c1cc2c[nH]ccc-2n1 ZINC001340261060 991311546 /nfs/dbraw/zinc/31/15/46/991311546.db2.gz FRINFXMYEJVERD-QMMMGPOBSA-N 2 0 232.287 1.030 20 0 BDADRP C[C@H]1CC[C@H](C[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)O1 ZINC001560186511 991406105 /nfs/dbraw/zinc/40/61/05/991406105.db2.gz ILOLHMPFQCTRCF-DGAVXFQQSA-N 2 0 238.375 1.437 20 0 BDADRP C[C@@H](CC1CC1)[NH+]1CCN(CCCC[NH3+])CC1 ZINC001258456882 991409428 /nfs/dbraw/zinc/40/94/28/991409428.db2.gz RHXZULOVVHCOOY-ZDUSSCGKSA-N 2 0 239.407 1.532 20 0 BDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCC[C@@H]1C ZINC001560315441 991454209 /nfs/dbraw/zinc/45/42/09/991454209.db2.gz BARGTLKCUHARFP-MJBXVCDLSA-N 2 0 239.407 1.401 20 0 BDADRP CC(C)[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001317268244 991485158 /nfs/dbraw/zinc/48/51/58/991485158.db2.gz YKKKTHLMUFBQEL-VXGBXAGGSA-N 2 0 243.395 1.075 20 0 BDADRP CC1(C)CC[C@H]([NH+]2CCN(CCC[NH3+])CC2)C1 ZINC001258595828 991488904 /nfs/dbraw/zinc/48/89/04/991488904.db2.gz MIGKGBUVTLPOFT-ZDUSSCGKSA-N 2 0 239.407 1.532 20 0 BDADRP CC1(C)CC[C@H](NC(=[NH2+])SCC[NH3+])C1 ZINC001258594148 991491255 /nfs/dbraw/zinc/49/12/55/991491255.db2.gz BGNVZEUEBGEDHY-QMMMGPOBSA-N 2 0 215.366 1.781 20 0 BDADRP C[C@H](Cc1cccnc1)[NH2+]C1(C[NH3+])CC1 ZINC001258620872 991546608 /nfs/dbraw/zinc/54/66/08/991546608.db2.gz SVBWCQNVCRAJNW-SNVBAGLBSA-N 2 0 205.305 1.094 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@@]2(C)CO)CC1 ZINC001560759748 991587030 /nfs/dbraw/zinc/58/70/30/991587030.db2.gz LKDFZVHMTHVKBA-AWEZNQCLSA-N 2 0 240.391 1.565 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@]2(CC)CCOC2)CC1 ZINC001560806077 991607029 /nfs/dbraw/zinc/60/70/29/991607029.db2.gz HEHUOKZLCNDTGL-AWEZNQCLSA-N 2 0 240.391 1.877 20 0 BDADRP CCCC[C@@H](CCC)[NH2+]CCN(C)CC[NH3+] ZINC001258756889 991702207 /nfs/dbraw/zinc/70/22/07/991702207.db2.gz YHUMRGPJMASDOS-CYBMUJFWSA-N 2 0 229.412 1.825 20 0 BDADRP CC1CC([NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)C1 ZINC001561052894 991705037 /nfs/dbraw/zinc/70/50/37/991705037.db2.gz OCHPPFKFGFCHAP-ZWMSFMBMSA-N 2 0 208.349 1.715 20 0 BDADRP CC1CC([NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)C1 ZINC001561052891 991706169 /nfs/dbraw/zinc/70/61/69/991706169.db2.gz OCHPPFKFGFCHAP-BEZKJRAVSA-N 2 0 208.349 1.715 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@@H]2CCO2)CC1 ZINC001258766460 991726503 /nfs/dbraw/zinc/72/65/03/991726503.db2.gz VATGYZGZXKLCHD-LBPRGKRZSA-N 2 0 212.337 1.239 20 0 BDADRP CCC[NH+]1CCC(NC(=[NH2+])SCC[NH3+])CC1 ZINC001258765763 991727115 /nfs/dbraw/zinc/72/71/15/991727115.db2.gz CCNQXBBJDNPTIG-UHFFFAOYSA-N 3 0 244.408 1.077 20 0 BDADRP CCC[NH+]1CCC([NH2+]CCC2COC2)CC1 ZINC001258766797 991727652 /nfs/dbraw/zinc/72/76/52/991727652.db2.gz AUBTYINCHPESSL-UHFFFAOYSA-N 2 0 226.364 1.487 20 0 BDADRP CCC[NH+]1CCC(n2c(C)cnc2C[NH3+])CC1 ZINC001258767119 991731850 /nfs/dbraw/zinc/73/18/50/991731850.db2.gz RMFVAIZGRJYLOX-UHFFFAOYSA-N 2 0 236.363 1.697 20 0 BDADRP CCC[NH+]1CCC([NH2+]C2CC(F)C2)CC1 ZINC001258767712 991733180 /nfs/dbraw/zinc/73/31/80/991733180.db2.gz JMCUCNHVXVCUOG-UHFFFAOYSA-N 2 0 214.328 1.951 20 0 BDADRP CC[C@H](C)C[C@H](CC)[NH2+]CCOCC[NH3+] ZINC001258780100 991751676 /nfs/dbraw/zinc/75/16/76/991751676.db2.gz KQNHTUTUJXBDAA-RYUDHWBXSA-N 2 0 216.369 1.766 20 0 BDADRP CC[C@H](C[C@@H](C)CC)[NH2+]CCN(C)CC[NH3+] ZINC001258783560 991757189 /nfs/dbraw/zinc/75/71/89/991757189.db2.gz FYPBKDSVHOMGCR-QWHCGFSZSA-N 2 0 229.412 1.681 20 0 BDADRP CC(C)C1CCC([NH2+]CCOCC[NH3+])CC1 ZINC001258799377 991798127 /nfs/dbraw/zinc/79/81/27/991798127.db2.gz VCFVRYBAKJWUCH-UHFFFAOYSA-N 2 0 228.380 1.766 20 0 BDADRP C[C@@H]1CCC[C@H](NC(=[NH2+])SCC[NH3+])C1 ZINC001258808445 991813850 /nfs/dbraw/zinc/81/38/50/991813850.db2.gz QODPZDSQGHHWGW-BDAKNGLRSA-N 2 0 215.366 1.781 20 0 BDADRP C[C@H]1CCC[C@@H]([NH2+]CCC[N@H+](C)CCO)C1 ZINC001258817081 991833312 /nfs/dbraw/zinc/83/33/12/991833312.db2.gz MTSCGWYNYHAKLG-QWHCGFSZSA-N 2 0 228.380 1.469 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C[C@H]1C[C@H](O)C1 ZINC001258899893 991890871 /nfs/dbraw/zinc/89/08/71/991890871.db2.gz VTHZLTJLMNXWSA-IHRRRGAJSA-N 2 0 242.407 1.857 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1C[C@@](C)(O)C1 ZINC001258899400 991895205 /nfs/dbraw/zinc/89/52/05/991895205.db2.gz KIRWVHJMCDUKIJ-MCIONIFRSA-N 2 0 242.407 2.000 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1(CN)CC1 ZINC001258906496 991895340 /nfs/dbraw/zinc/89/53/40/991895340.db2.gz DEEHVWLXAHRTKP-GFCCVEGCSA-N 2 0 227.396 1.578 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]CCOCC[NH3+] ZINC001258899164 991896324 /nfs/dbraw/zinc/89/63/24/991896324.db2.gz GXJBSFFCLCCXIN-CYBMUJFWSA-N 3 0 245.411 1.062 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCCO)[C@@H](C)C1 ZINC001319604096 991907471 /nfs/dbraw/zinc/90/74/71/991907471.db2.gz QPFFFNSAJVRBPA-QWHCGFSZSA-N 2 0 228.380 1.421 20 0 BDADRP CC[N@@H+]1CCC[C@H](CN[C@@H]2C[NH+](C)C[C@H]2C)C1 ZINC001319751997 991962531 /nfs/dbraw/zinc/96/25/31/991962531.db2.gz QFMAKHOOUNFWMF-MGPQQGTHSA-N 2 0 239.407 1.258 20 0 BDADRP C([N@@H+]1CCCC2(CC[NH2+]CC2)C1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC001261648038 992443004 /nfs/dbraw/zinc/44/30/04/992443004.db2.gz PZIUUDZNISGYLZ-HIFRSBDPSA-N 3 0 249.402 1.062 20 0 BDADRP C([N@@H+]1CCC[C@H](C2CC2)C1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC001574774416 992899112 /nfs/dbraw/zinc/89/91/12/992899112.db2.gz MUCOYNCAWSJGQI-MJBXVCDLSA-N 2 0 220.360 1.718 20 0 BDADRP C([NH2+]CC1C[NH2+]C1)[C@H]1C[C@@H]1C1CCCC1 ZINC001574796597 992910709 /nfs/dbraw/zinc/91/07/09/992910709.db2.gz YIZCOLQTZBNJDQ-CHWSQXEVSA-N 2 0 208.349 1.622 20 0 BDADRP C([NH+]1CCN(C2C[NH2+]C2)CC1)C12CCC(CC1)C2 ZINC001574796086 992911227 /nfs/dbraw/zinc/91/12/27/992911227.db2.gz TUIOXDJWGSCSLQ-UHFFFAOYSA-N 2 0 249.402 1.156 20 0 BDADRP C1[NH2+]CC12C[C@H]([NH2+][C@H]1C[C@@H]3CC[C@@H](C3)C1)CO2 ZINC001574816479 992916287 /nfs/dbraw/zinc/91/62/87/992916287.db2.gz FZIGBCYUZPEVHM-LOWDOPEQSA-N 2 0 236.359 1.286 20 0 BDADRP CC[NH+](CC)CCCC[NH2+]CC1(O)CCC1 ZINC001262563442 992918500 /nfs/dbraw/zinc/91/85/00/992918500.db2.gz FCVZIJPLZDUJPU-UHFFFAOYSA-N 2 0 228.380 1.613 20 0 BDADRP C([NH2+][C@@H]1C[C@@H]2COC[C@H]12)[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001574817086 992919826 /nfs/dbraw/zinc/91/98/26/992919826.db2.gz QSWFLOYIKQYACL-IKKURHKOSA-N 2 0 236.359 1.142 20 0 BDADRP C1SCC12CCC([NH2+][C@H]1CC[NH2+]C1)CC2 ZINC001574817353 992919870 /nfs/dbraw/zinc/91/98/70/992919870.db2.gz ZKIUERFDLUYYDO-NSHDSACASA-N 2 0 226.389 1.614 20 0 BDADRP C([NH2+][C@]12CCC[C@H]1[NH2+]CC2)[C@@H]1C[C@@]12CCOC2 ZINC001574817106 992920396 /nfs/dbraw/zinc/92/03/96/992920396.db2.gz RCZVXXWXVSXKGX-DGAVXFQQSA-N 2 0 236.359 1.287 20 0 BDADRP C1C[C@@H]2[NH2+][C@H]1C[C@@H]2[NH2+][C@@H]1CCCOCC1 ZINC001574817350 992920758 /nfs/dbraw/zinc/92/07/58/992920758.db2.gz ZDZFSDDWAXLUSB-WYUUTHIRSA-N 2 0 210.321 1.038 20 0 BDADRP C([NH2+][C@]12CCC[C@H]1[NH2+]CC2)[C@H]1C[C@@]12CCOC2 ZINC001574817108 992920810 /nfs/dbraw/zinc/92/08/10/992920810.db2.gz RCZVXXWXVSXKGX-SYQHCUMBSA-N 2 0 236.359 1.287 20 0 BDADRP CC(=O)OC[C@H](C)[NH2+]CC[C@@H]1CCC[NH2+]CC1 ZINC001575029853 992964185 /nfs/dbraw/zinc/96/41/85/992964185.db2.gz RBAKENZNMSRTQO-WCQYABFASA-N 2 0 242.363 1.307 20 0 BDADRP CC(=O)OC[C@H](C)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC001575029667 992969794 /nfs/dbraw/zinc/96/97/94/992969794.db2.gz PDNQMUMWWSTVMD-CYZMBNFOSA-N 2 0 240.347 1.060 20 0 BDADRP CC(C)(C)[NH2+]CC(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001575141058 992992312 /nfs/dbraw/zinc/99/23/12/992992312.db2.gz LHNKUFFRQGNBGS-NSHDSACASA-N 2 0 241.379 1.023 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])C[NH2+][C@@H]1CCCOC1 ZINC001575130313 992992590 /nfs/dbraw/zinc/99/25/90/992992590.db2.gz JVXZPWIIZKFURM-VXGBXAGGSA-N 2 0 228.380 1.909 20 0 BDADRP CC(C)(C)CC[C@H](CO)[NH2+]C1CC(CC[NH3+])C1 ZINC001575130021 992993655 /nfs/dbraw/zinc/99/36/55/992993655.db2.gz DAHQKFBRFDQOMI-OTTFEQOBSA-N 2 0 242.407 1.891 20 0 BDADRP CC(C)(C)N1CC[C@H]1C[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001575141716 992998218 /nfs/dbraw/zinc/99/82/18/992998218.db2.gz YKTKEMSOIZHIBA-ATJQQHLPSA-N 2 0 237.391 1.329 20 0 BDADRP CC(C)(C)OC(=O)CC[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC001575161150 993001829 /nfs/dbraw/zinc/00/18/29/993001829.db2.gz WINLFMHETPAMLF-ZJUUUORDSA-N 2 0 242.363 1.434 20 0 BDADRP CC(C)(C[NH3+])C[NH2+]C[C@]1(C)CCCCO1 ZINC001575315894 993003447 /nfs/dbraw/zinc/00/34/47/993003447.db2.gz ZTIHIUHCONZANI-LBPRGKRZSA-N 2 0 214.353 1.520 20 0 BDADRP CC(C)(C)c1nnc(C[NH2+]C2CC3(C[C@@H]3[NH3+])C2)[nH]1 ZINC001575283114 993003885 /nfs/dbraw/zinc/00/38/85/993003885.db2.gz ZOEAEOXXZMVZOF-JVVWGOMOSA-N 2 0 249.362 1.072 20 0 BDADRP CC(C)(C)OC1CC([NH2+]C(C)(C)C[NH3+])C1 ZINC001575317495 993009787 /nfs/dbraw/zinc/00/97/87/993009787.db2.gz DALWFLYEKHROLS-UHFFFAOYSA-N 2 0 214.353 1.659 20 0 BDADRP CC(C)(C[NH3+])C[NH2+]C1Cc2ccccc2C1 ZINC001575315088 993011138 /nfs/dbraw/zinc/01/11/38/993011138.db2.gz HECOCHFYJLNIPS-UHFFFAOYSA-N 2 0 218.344 1.728 20 0 BDADRP CC(C)(C[NH3+])CNCC[N@@H+]1CCCC(C)(C)C1 ZINC001575315680 993012483 /nfs/dbraw/zinc/01/24/83/993012483.db2.gz VPZXKONRWPEQKS-UHFFFAOYSA-N 2 0 241.423 1.683 20 0 BDADRP CC(C)(CO)[C@@H]([NH2+]C[C@H]1CC[C@@H]([NH3+])C1)C1CC1 ZINC001575338892 993018110 /nfs/dbraw/zinc/01/81/10/993018110.db2.gz XZRHCOFMHNTVFD-UHTWSYAYSA-N 2 0 240.391 1.501 20 0 BDADRP CC(C)[C@H](O)CC[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC001575472978 993050818 /nfs/dbraw/zinc/05/08/18/993050818.db2.gz ROGJPFGAHPOYFH-YNEHKIRRSA-N 2 0 226.364 1.207 20 0 BDADRP CC(C)[C@@H](O)C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC001575473355 993052392 /nfs/dbraw/zinc/05/23/92/993052392.db2.gz UMNQUFIBOONIPI-GXTWGEPZSA-N 2 0 242.407 1.700 20 0 BDADRP CC(C)[C@@H](O)C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC001575473357 993054753 /nfs/dbraw/zinc/05/47/53/993054753.db2.gz UMNQUFIBOONIPI-JSGCOSHPSA-N 2 0 242.407 1.700 20 0 BDADRP CC(C)C[C@@](C)(C[NH3+])C(=O)N(C)CC[NH+](C)C ZINC001575523112 993062645 /nfs/dbraw/zinc/06/26/45/993062645.db2.gz QRGRDEDGWKBIPP-ZDUSSCGKSA-N 2 0 243.395 1.018 20 0 BDADRP CC(C)CC[C@](C)(O)C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC001575552318 993069677 /nfs/dbraw/zinc/06/96/77/993069677.db2.gz BQKAGRLIVOXVQV-RDBSUJKOSA-N 2 0 242.407 1.891 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](N(C)CC23CC(C2)C[NH2+]3)C1 ZINC001575697292 993096090 /nfs/dbraw/zinc/09/60/90/993096090.db2.gz UJFWSBIIECZNBT-ROKHWSDSSA-N 2 0 237.391 1.153 20 0 BDADRP CC(C)[N@@H+]1CCCN(C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC001575700053 993098882 /nfs/dbraw/zinc/09/88/82/993098882.db2.gz NLCSFNDQOZKFET-KGLIPLIRSA-N 2 0 239.407 1.258 20 0 BDADRP CC(C)O[C@H]1C[C@@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)C1 ZINC001575798020 993106911 /nfs/dbraw/zinc/10/69/11/993106911.db2.gz BLQLULWVTBEISO-MJBXVCDLSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H](C[C@H]1CCOC1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001575940901 993133513 /nfs/dbraw/zinc/13/35/13/993133513.db2.gz DONCFPUMJUUTNP-CKIKVBCHSA-N 2 0 224.348 1.284 20 0 BDADRP C[C@H](C[C@@H]1CCOC1)[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC001575940791 993134269 /nfs/dbraw/zinc/13/42/69/993134269.db2.gz BQKOOHGHJZWNEI-RQJABVFESA-N 2 0 238.375 1.676 20 0 BDADRP C[C@@H](CC[NH3+])[NH2+]C[C@]1(C)CCCCO1 ZINC001575962732 993140227 /nfs/dbraw/zinc/14/02/27/993140227.db2.gz WKLLJNMEAGNDRE-QWRGUYRKSA-N 2 0 200.326 1.273 20 0 BDADRP CC(C)C[C@@H]([NH3+])CC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001263167951 993145067 /nfs/dbraw/zinc/14/50/67/993145067.db2.gz ZJCXSZJWXXYHBF-IJLUTSLNSA-N 2 0 241.379 1.007 20 0 BDADRP CCC1([NH3+])CCN(C(=O)CCCC[NH2+]C)CC1 ZINC001263182619 993151786 /nfs/dbraw/zinc/15/17/86/993151786.db2.gz UOUVAQVXVXOEJQ-UHFFFAOYSA-N 2 0 241.379 1.106 20 0 BDADRP C[C@@H](CNC[C@@H]([NH3+])CC(F)F)C[NH+]1CCCC1 ZINC001576032251 993162169 /nfs/dbraw/zinc/16/21/69/993162169.db2.gz AJONCVBLQRDZEY-QWRGUYRKSA-N 2 0 249.349 1.290 20 0 BDADRP C[C@@H](CNC[C@H]([NH3+])CC(F)(F)F)C[NH+](C)C ZINC001576032489 993163200 /nfs/dbraw/zinc/16/32/00/993163200.db2.gz FLLNQCXLVHCDFT-DTWKUNHWSA-N 2 0 241.301 1.053 20 0 BDADRP CC(C)OC[C@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC001576040640 993165725 /nfs/dbraw/zinc/16/57/25/993165725.db2.gz KLSLOUMRLOPDHN-WOPDTQHZSA-N 2 0 214.353 1.245 20 0 BDADRP C[C@H](Cc1ccno1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC001576067758 993170353 /nfs/dbraw/zinc/17/03/53/993170353.db2.gz ZXYDDXVHUVEPEZ-GHMZBOCLSA-N 2 0 223.320 1.337 20 0 BDADRP CC(C)([NH3+])CCC(=O)Nc1ccccc1C[NH3+] ZINC001263266755 993198912 /nfs/dbraw/zinc/19/89/12/993198912.db2.gz AVFUUXDBBJUDRO-UHFFFAOYSA-N 2 0 235.331 1.601 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CC[C@@H]([NH3+])C1)c1cnccn1 ZINC001576244559 993231230 /nfs/dbraw/zinc/23/12/30/993231230.db2.gz LOMVVAFBCDAAJU-GARJFASQSA-N 2 0 220.320 1.255 20 0 BDADRP C[C@H](O)C(C)(C)C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC001576264925 993240344 /nfs/dbraw/zinc/24/03/44/993240344.db2.gz MNFUCXSTTQZLJM-AXFHLTTASA-N 2 0 214.353 1.110 20 0 BDADRP C[C@@]1(C(=O)Nc2ccc3c[nH+]cn3c2)CC[NH2+]C1 ZINC001576356521 993273466 /nfs/dbraw/zinc/27/34/66/993273466.db2.gz OMVDPFSSVGSJSZ-CYBMUJFWSA-N 2 0 244.298 1.272 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC[C@H](O)c1ccccc1 ZINC001576384111 993292218 /nfs/dbraw/zinc/29/22/18/993292218.db2.gz UAPZBPYZPRGSJD-BFHYXJOUSA-N 2 0 248.370 1.826 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC001576385057 993292756 /nfs/dbraw/zinc/29/27/56/993292756.db2.gz WVJCHQYNSDOWFN-OPRDCNLKSA-N 2 0 247.333 1.041 20 0 BDADRP CC1(C)CC2(CC([NH2+][C@H]3C[C@H]([NH3+])C3)C2)CO1 ZINC001576404684 993297823 /nfs/dbraw/zinc/29/78/23/993297823.db2.gz JWGOXADUNDBNQI-QHQXYLSRSA-N 2 0 224.348 1.413 20 0 BDADRP Cc1cccnc1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000379939631 993298705 /nfs/dbraw/zinc/29/87/05/993298705.db2.gz WYUBNFWCSUNJIF-ZDUSSCGKSA-N 2 0 233.359 1.951 20 0 BDADRP CC1(C)CCC[C@@H](C[NH2+]C[C@@H]2CCC[NH2+]C2)O1 ZINC001576426510 993298880 /nfs/dbraw/zinc/29/88/80/993298880.db2.gz JQMIMJQQVRPNTR-OLZOCXBDSA-N 2 0 240.391 1.923 20 0 BDADRP CC[NH+](CC)C[C@@H](O)C[N@H+](C)CC(C)C ZINC000379993864 993303342 /nfs/dbraw/zinc/30/33/42/993303342.db2.gz YZZOOZGDHQOROA-LBPRGKRZSA-N 2 0 216.369 1.277 20 0 BDADRP CC[NH+]1CCC([NH2+]CC(C)(C)C(=O)OC)CC1 ZINC000380211692 993322484 /nfs/dbraw/zinc/32/24/84/993322484.db2.gz UGYLAIVUEXXCSV-UHFFFAOYSA-N 2 0 242.363 1.260 20 0 BDADRP CC1(C)OCC[C@H]1[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576495795 993322867 /nfs/dbraw/zinc/32/28/67/993322867.db2.gz VKXLVGBAOBMBOE-HBNTYKKESA-N 2 0 212.337 1.271 20 0 BDADRP CC12CC(C[NH+]3CCC(C)([NH3+])CC3)(C1)CO2 ZINC001576531589 993333709 /nfs/dbraw/zinc/33/37/09/993333709.db2.gz UULLQBLPPWWOBH-UHFFFAOYSA-N 2 0 224.348 1.369 20 0 BDADRP C[C@H]1[C@H](N(C)C)CC[N@@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576573609 993351736 /nfs/dbraw/zinc/35/17/36/993351736.db2.gz SNPPSLKXUNOBGT-WUHRBBMRSA-N 2 0 225.380 1.138 20 0 BDADRP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@]1(O)CC[NH2+]C1 ZINC001576581522 993353287 /nfs/dbraw/zinc/35/32/87/993353287.db2.gz BZYBSZDXEIMDJL-WZRBSPASSA-N 2 0 226.364 1.125 20 0 BDADRP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@@]1(O)CC[NH2+]C1 ZINC001576581520 993353456 /nfs/dbraw/zinc/35/34/56/993353456.db2.gz BZYBSZDXEIMDJL-NQBHXWOUSA-N 2 0 226.364 1.125 20 0 BDADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCc1cn[nH]c1 ZINC000381006134 993361162 /nfs/dbraw/zinc/36/11/62/993361162.db2.gz QMIZTVSJZLHDBJ-LBPRGKRZSA-N 2 0 222.336 1.156 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)CC[NH2+]1 ZINC001576598590 993363970 /nfs/dbraw/zinc/36/39/70/993363970.db2.gz MTKBFSSVMPKPAS-LPWJVIDDSA-N 2 0 226.364 1.077 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cc[nH]c(=O)c1 ZINC001576608285 993367319 /nfs/dbraw/zinc/36/73/19/993367319.db2.gz PPCULUFFIOUDBN-KOLCDFICSA-N 2 0 221.304 1.099 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)CCO1 ZINC001576624997 993372489 /nfs/dbraw/zinc/37/24/89/993372489.db2.gz VQSJUNKADDXNPP-GRYCIOLGSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H]1CC2(C[N@@H+]1CC1=NOCC1)CC[NH2+]CC2 ZINC001576637188 993378725 /nfs/dbraw/zinc/37/87/25/993378725.db2.gz HETCVTGXKUHDAY-NSHDSACASA-N 2 0 237.347 1.227 20 0 BDADRP C[C@H]1CC2(CC([NH2+][C@H]3C[C@H]([NH3+])C3)C2)CO1 ZINC001576637872 993381215 /nfs/dbraw/zinc/38/12/15/993381215.db2.gz XCMSAZSOUPAIDV-JCZBKMKOSA-N 2 0 210.321 1.023 20 0 BDADRP COC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C(C)C)C[C@@H]1C ZINC000381323904 993385431 /nfs/dbraw/zinc/38/54/31/993385431.db2.gz QBRFFFWPUSBYNZ-RWMBFGLXSA-N 2 0 228.380 1.730 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CCC[NH2+]C2)[C@H](C)C1 ZINC001576670437 993387798 /nfs/dbraw/zinc/38/77/98/993387798.db2.gz IFSFHLDKQXVGKR-MQYQWHSLSA-N 2 0 240.391 1.515 20 0 BDADRP C[C@H](O)C[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000381467859 993397833 /nfs/dbraw/zinc/39/78/33/993397833.db2.gz NFRDKUYPWOYBAY-NSHDSACASA-N 2 0 222.332 1.219 20 0 BDADRP C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CCC[NH2+]C1CC1 ZINC001576730986 993407734 /nfs/dbraw/zinc/40/77/34/993407734.db2.gz BPRBWXUQKRSAAB-DYEKYZERSA-N 2 0 240.391 1.610 20 0 BDADRP C[NH+](C)C1CCC([NH2+]C2(CO)CCC2)CC1 ZINC000381695077 993414511 /nfs/dbraw/zinc/41/45/11/993414511.db2.gz HHAGYRTZBNYIGB-UHFFFAOYSA-N 2 0 226.364 1.364 20 0 BDADRP C[C@@H]1CSC[C@@H]1[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001576861655 993431084 /nfs/dbraw/zinc/43/10/84/993431084.db2.gz RDYNZLLMXSWEJQ-HHQHDOLHSA-N 2 0 212.362 1.207 20 0 BDADRP C[C@@H]1COCC[C@@H]1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001576854137 993432377 /nfs/dbraw/zinc/43/23/77/993432377.db2.gz LXCSLRUNAOPSRJ-JHJVBQTASA-N 2 0 226.364 1.248 20 0 BDADRP C[C@H](C[NH3+])CN[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382028573 993436097 /nfs/dbraw/zinc/43/60/97/993436097.db2.gz CCTUAMCFVLGZFV-UKRRQHHQSA-N 2 0 247.386 1.445 20 0 BDADRP C[C@H]1COCC[C@H]1[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576855584 993437331 /nfs/dbraw/zinc/43/73/31/993437331.db2.gz UWOQUDAQCSWHMY-NNYUYHANSA-N 2 0 212.337 1.128 20 0 BDADRP C/C=C/C[C@H](CO)[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC001576914768 993449126 /nfs/dbraw/zinc/44/91/26/993449126.db2.gz NGOIACOOZCYFJS-VMZVSEJASA-N 2 0 212.337 1.029 20 0 BDADRP Cc1cc(N[C@@H]2CCC[C@@H]([NH3+])C2)cc(C)[nH+]1 ZINC000382439791 993459720 /nfs/dbraw/zinc/45/97/20/993459720.db2.gz ZMOMKTCFFQCDQH-VXGBXAGGSA-N 2 0 219.332 1.802 20 0 BDADRP Cc1cc(N[C@H]2CCC[C@@H]([NH3+])C2)cc(C)[nH+]1 ZINC000382439781 993460301 /nfs/dbraw/zinc/46/03/01/993460301.db2.gz ZMOMKTCFFQCDQH-NEPJUHHUSA-N 2 0 219.332 1.802 20 0 BDADRP CC[C@@H](C)[C@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)OC ZINC001576961015 993469658 /nfs/dbraw/zinc/46/96/58/993469658.db2.gz KLHTZZWSPFYAET-NDBYEHHHSA-N 2 0 226.364 1.199 20 0 BDADRP CC[C@H](C)C[C@H](CO)[NH2+]CC(C)(C)C[NH3+] ZINC001576971451 993475892 /nfs/dbraw/zinc/47/58/92/993475892.db2.gz PJFDDOABFSIGQF-WDEREUQCSA-N 2 0 216.369 1.358 20 0 BDADRP CC[C@@H](C)[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])C1)OC ZINC001576973666 993478667 /nfs/dbraw/zinc/47/86/67/993478667.db2.gz YGSQWFXBDMAIDF-ZNSHCXBVSA-N 2 0 200.326 1.127 20 0 BDADRP CC[C@H](C[C@H](C)O)[NH2+]C[C@H]([NH3+])CC(F)F ZINC001577044361 993484103 /nfs/dbraw/zinc/48/41/03/993484103.db2.gz RUBANHDZEXSEHY-DJLDLDEBSA-N 2 0 224.295 1.108 20 0 BDADRP CCC(CC)(C[NH3+])C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC001577051640 993489790 /nfs/dbraw/zinc/48/97/90/993489790.db2.gz WCENSGOJDFLHSB-WCQYABFASA-N 2 0 226.364 1.208 20 0 BDADRP CCC(CC)(C[NH3+])C[NH2+][C@@H](CO)CCF ZINC001577052037 993490720 /nfs/dbraw/zinc/49/07/20/993490720.db2.gz GWUPAANKTBAZBC-SNVBAGLBSA-N 2 0 220.332 1.062 20 0 BDADRP CC[C@@H](CNC[C@H]([NH3+])CC(F)F)[NH+]1CCCC1 ZINC001577088948 993498002 /nfs/dbraw/zinc/49/80/02/993498002.db2.gz HVODGLSQZPOREW-MNOVXSKESA-N 2 0 249.349 1.433 20 0 BDADRP CC[C@H](CO)[N@@H+]1C[C@@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001577090100 993498859 /nfs/dbraw/zinc/49/88/59/993498859.db2.gz PKQVVAFVISCWLI-YNEHKIRRSA-N 2 0 226.364 1.208 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@H](C)[C@H]1COc2ccccc2C1 ZINC001577124436 993510988 /nfs/dbraw/zinc/51/09/88/993510988.db2.gz APPQYBVDUPVGFO-BNOWGMLFSA-N 2 0 248.370 1.953 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH+]2CCCC[C@H](C[NH3+])C2)CC1 ZINC000383743772 993512354 /nfs/dbraw/zinc/51/23/54/993512354.db2.gz ISJIXHPBOTYFPK-KGLIPLIRSA-N 3 0 239.407 1.532 20 0 BDADRP C[NH+](C)CCCC[NH2+]C1CCN(C2CC2)CC1 ZINC000383806335 993522167 /nfs/dbraw/zinc/52/21/67/993522167.db2.gz UNSVQOKSHACIKK-UHFFFAOYSA-N 2 0 239.407 1.545 20 0 BDADRP CC[C@H]([NH2+]C1CC2(C[C@H]2[NH3+])C1)[C@H](O)C(C)C ZINC001577175566 993532965 /nfs/dbraw/zinc/53/29/65/993532965.db2.gz BOWMYPKPPDGNKY-CEPARRHRSA-N 2 0 226.364 1.251 20 0 BDADRP CC[C@@H]([NH2+]C1CC2(C[C@H]2[NH3+])C1)C(C)(C)O ZINC001577175940 993534442 /nfs/dbraw/zinc/53/44/42/993534442.db2.gz NAIIBWUPTWNNAJ-WDHPUFTPSA-N 2 0 212.337 1.005 20 0 BDADRP CC[C@H](O)C[N@@H+]1C[C@@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001577182821 993535981 /nfs/dbraw/zinc/53/59/81/993535981.db2.gz SZDBUPONQGQPQA-RWMBFGLXSA-N 2 0 226.364 1.208 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC001577241142 993553774 /nfs/dbraw/zinc/55/37/74/993553774.db2.gz QHKWTWJUQUWEFN-WRWGMCAJSA-N 2 0 212.337 1.142 20 0 BDADRP CCC[C@@H](C)[C@@H](CO)NC[C@H]1CCC[NH2+]1 ZINC001577335783 993597083 /nfs/dbraw/zinc/59/70/83/993597083.db2.gz BQMPXZRKZOEZEC-IJLUTSLNSA-N 2 0 214.353 1.125 20 0 BDADRP CCC[C@@H](C[NH2+]C1CC2(CC([NH3+])C2)C1)OC ZINC001577358215 993613929 /nfs/dbraw/zinc/61/39/29/993613929.db2.gz UUWWNFQDMHMTJB-ARAJFMJPSA-N 2 0 226.364 1.661 20 0 BDADRP CCC[C@]1(CO)CC[N@H+](CCC[NH2+]C2CC2)C1 ZINC001577371777 993630655 /nfs/dbraw/zinc/63/06/55/993630655.db2.gz LODVRSPGWKKYHF-AWEZNQCLSA-N 2 0 240.391 1.613 20 0 BDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)CCC[NH2+]C ZINC001577444726 993662213 /nfs/dbraw/zinc/66/22/13/993662213.db2.gz DTKHRJHDCXVFIN-GFCCVEGCSA-N 2 0 243.395 1.223 20 0 BDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@@H](CC)[NH2+]C ZINC001577510175 993677626 /nfs/dbraw/zinc/67/76/26/993677626.db2.gz DULJRNRMPFNWCF-VXGBXAGGSA-N 2 0 243.395 1.221 20 0 BDADRP CCCN1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC001577535770 993680451 /nfs/dbraw/zinc/68/04/51/993680451.db2.gz HMSKBFBYBWFGKO-MCIONIFRSA-N 2 0 239.407 1.578 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)N(C)CCCC[NH+](C)C ZINC001577548491 993685889 /nfs/dbraw/zinc/68/58/89/993685889.db2.gz VPKKEKLIELGFKN-GFCCVEGCSA-N 2 0 243.395 1.175 20 0 BDADRP CC[N@H+](C)[C@@H]1CCN(C[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC001577654714 993711618 /nfs/dbraw/zinc/71/16/18/993711618.db2.gz GUIVDPCXFVXWEO-GHMZBOCLSA-N 2 0 247.333 1.010 20 0 BDADRP COC1(C)CC[NH+](C2CC[NH2+]CC2)CC1 ZINC000389722988 993764691 /nfs/dbraw/zinc/76/46/91/993764691.db2.gz PZAQAOUTCDBGPA-UHFFFAOYSA-N 2 0 212.337 1.239 20 0 BDADRP C[C@H](Cc1ccco1)[NH2+]CCSCC[NH3+] ZINC000389747937 993764864 /nfs/dbraw/zinc/76/48/64/993764864.db2.gz IBFZOPBBORXIHQ-SNVBAGLBSA-N 2 0 228.361 1.492 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH+]2CC[C@](C)(CO)C2)C1 ZINC000702110318 993967389 /nfs/dbraw/zinc/96/73/89/993967389.db2.gz UFRCEXHADDUAAJ-STQMWFEESA-N 2 0 226.364 1.033 20 0 BDADRP Cc1cccnc1C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC001332816929 994367212 /nfs/dbraw/zinc/36/72/12/994367212.db2.gz ZOWWKRHDPZUFFI-QWHCGFSZSA-N 2 0 233.359 1.807 20 0 BDADRP CCC(CC)(C[NH3+])C(=O)NCCCC[NH+](C)C ZINC000045708587 168321725 /nfs/dbraw/zinc/32/17/25/168321725.db2.gz FZROPZZGMAMVRS-UHFFFAOYSA-N 2 0 243.395 1.210 20 0 BDADRP CC(C)NC(=O)CC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422939317 398158642 /nfs/dbraw/zinc/15/86/42/398158642.db2.gz LWRAANWXSVTVKT-NEPJUHHUSA-N 2 0 241.379 1.151 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000415012875 398154455 /nfs/dbraw/zinc/15/44/55/398154455.db2.gz XWRGXYRPMPQELS-STQMWFEESA-N 3 0 239.407 1.578 20 0 BDADRP Cc1cc(C[NH2+]C2CCC([NH+](C)C)CC2)no1 ZINC000353506789 178018155 /nfs/dbraw/zinc/01/81/55/178018155.db2.gz ZRDFEJLMKPJRPX-UHFFFAOYSA-N 2 0 237.347 1.945 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1CCCN1C ZINC000422906081 398157211 /nfs/dbraw/zinc/15/72/11/398157211.db2.gz UECOTXCTSUZOLA-JHJVBQTASA-N 2 0 225.380 1.058 20 0 BDADRP CC[C@](C)(C[NH2+][C@@H](C)CC[NH+](C)C)OC ZINC000379987134 398179863 /nfs/dbraw/zinc/17/98/63/398179863.db2.gz VQRJWHUCUOGPMX-NWDGAFQWSA-N 2 0 216.369 1.731 20 0 BDADRP Cc1nccn1CC[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000649907560 398180699 /nfs/dbraw/zinc/18/06/99/398180699.db2.gz UVTGSOPRFQNXHD-NSHDSACASA-N 2 0 241.285 1.923 20 0 BDADRP Cc1nccn1CC[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000649907559 398180864 /nfs/dbraw/zinc/18/08/64/398180864.db2.gz UVTGSOPRFQNXHD-LLVKDONJSA-N 2 0 241.285 1.923 20 0 BDADRP COC[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)C(C)C ZINC000423327080 398166492 /nfs/dbraw/zinc/16/64/92/398166492.db2.gz LAXBZELUTFBZHZ-OLZOCXBDSA-N 2 0 228.380 1.637 20 0 BDADRP COC[C@@H]([NH2+]CC1CC[NH+](C)CC1)C(C)C ZINC000083397823 398185776 /nfs/dbraw/zinc/18/57/76/398185776.db2.gz DZCLHUYYJIBKCJ-CYBMUJFWSA-N 2 0 228.380 1.589 20 0 BDADRP C[C@H](CC(N)=O)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000341984274 398186668 /nfs/dbraw/zinc/18/66/68/398186668.db2.gz YMQGZVIUJBWUDV-MNOVXSKESA-N 2 0 243.395 1.206 20 0 BDADRP CCc1ccc(CCN(CC[NH3+])CCO)cc1 ZINC000342437883 398190617 /nfs/dbraw/zinc/19/06/17/398190617.db2.gz RNIFHQIUTLSZGY-UHFFFAOYSA-N 2 0 236.359 1.045 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+]CC2(COC)CCC2)C1 ZINC000380230095 398192364 /nfs/dbraw/zinc/19/23/64/398192364.db2.gz XXPUHSJCQPQSLO-ZDUSSCGKSA-N 2 0 240.391 1.735 20 0 BDADRP CC(C)CCOCC[NH2+][C@@H](C)CCC[NH3+] ZINC000336679714 398184797 /nfs/dbraw/zinc/18/47/97/398184797.db2.gz IPOKNHXYIPRAKA-LBPRGKRZSA-N 2 0 216.369 1.766 20 0 BDADRP Cc1cc(N2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc[nH+]1 ZINC000274814454 178120037 /nfs/dbraw/zinc/12/00/37/178120037.db2.gz YSVSNVOVMJPPAQ-TZMCWYRMSA-N 2 0 231.343 1.920 20 0 BDADRP C([C@@H]1CC[NH2+]C1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000649411812 398214365 /nfs/dbraw/zinc/21/43/65/398214365.db2.gz DWWZTXDHLFBVTA-KGLIPLIRSA-N 2 0 237.391 1.156 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc2nccn2c1 ZINC000566066382 398219921 /nfs/dbraw/zinc/21/99/21/398219921.db2.gz PVKIQVSCWUBQAW-GXSJLCMTSA-N 2 0 244.298 1.271 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](CCc2cn[nH]c2)CC1 ZINC000381007449 398217733 /nfs/dbraw/zinc/21/77/33/398217733.db2.gz QZIRVEGEECGCMD-JTQLQIEISA-N 2 0 222.336 1.011 20 0 BDADRP CC(C)[NH+]1CCC(NC[C@H]2CCC[NH2+]C2)CC1 ZINC000126077639 398218269 /nfs/dbraw/zinc/21/82/69/398218269.db2.gz RRFRWROSVANPPV-ZDUSSCGKSA-N 2 0 239.407 1.448 20 0 BDADRP Cc1cc(NCC[C@@H]2CC[NH2+]C2)cc[nH+]1 ZINC000229575122 178163543 /nfs/dbraw/zinc/16/35/43/178163543.db2.gz XGCNDKZLYYNZNZ-NSHDSACASA-N 2 0 205.305 1.802 20 0 BDADRP C[N@H+](CCCO)C1CC[NH+](CC2(C)CC2)CC1 ZINC000515954565 398213011 /nfs/dbraw/zinc/21/30/11/398213011.db2.gz OHAVNQSVYIQGDJ-UHFFFAOYSA-N 2 0 240.391 1.565 20 0 BDADRP Cc1cc(C)n(CC[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)n1 ZINC000386809864 398220421 /nfs/dbraw/zinc/22/04/21/398220421.db2.gz RPIGLNPZVMFZJJ-GXFFZTMASA-N 2 0 236.363 1.169 20 0 BDADRP Cc1noc(C)c1C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000070148613 398220842 /nfs/dbraw/zinc/22/08/42/398220842.db2.gz GSWYEACMRBCVSL-GFCCVEGCSA-N 2 0 237.347 1.995 20 0 BDADRP CCC(CC)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000020200380 538930982 /nfs/dbraw/zinc/93/09/82/538930982.db2.gz CPDAZYFNQSUCCR-UHFFFAOYSA-N 2 0 241.423 1.791 20 0 BDADRP Cn1ncnc1C[NH2+]C(C)(C)CCC[NH+](C)C ZINC000387191513 398228209 /nfs/dbraw/zinc/22/82/09/398228209.db2.gz GGBZKBUACXMQDJ-UHFFFAOYSA-N 2 0 239.367 1.025 20 0 BDADRP C[C@@H]1CN(C)C[C@H]1[NH2+]CCCC1(O)CCC1 ZINC000421369290 192334746 /nfs/dbraw/zinc/33/47/46/192334746.db2.gz HAQRNPOPMYOEIV-VXGBXAGGSA-N 2 0 226.364 1.221 20 0 BDADRP CC(C)[NH+]1CCN([C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000229542206 538939380 /nfs/dbraw/zinc/93/93/80/538939380.db2.gz LUWLMFFPWHXYGN-QWHCGFSZSA-N 2 0 225.380 1.153 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000576584850 365632369 /nfs/dbraw/zinc/63/23/69/365632369.db2.gz PXOWKBNXOUOUHT-AVGNSLFASA-N 3 0 225.380 1.045 20 0 BDADRP CC(C)[C@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)CCS1 ZINC000390756817 398247182 /nfs/dbraw/zinc/24/71/82/398247182.db2.gz IIYBACMEANFYOM-VXGBXAGGSA-N 2 0 228.405 1.669 20 0 BDADRP CC[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@@H]1CCOC1 ZINC000344330989 365684008 /nfs/dbraw/zinc/68/40/08/365684008.db2.gz OIQVDRRYAOOOLT-ZIAGYGMSSA-N 2 0 238.375 1.653 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](CCn2ccnc2)C1 ZINC000162096456 349563414 /nfs/dbraw/zinc/56/34/14/349563414.db2.gz JHFWVYXDCIGXDJ-CYBMUJFWSA-N 2 0 236.363 1.157 20 0 BDADRP C[C@H]1C[C@H]1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000381604049 398266340 /nfs/dbraw/zinc/26/63/40/398266340.db2.gz PDEDGMRZRFXHEJ-QWRGUYRKSA-N 2 0 208.349 1.859 20 0 BDADRP CCC(CC)[N@H+](CCC[NH2+]C)CCOC ZINC000042681312 168372972 /nfs/dbraw/zinc/37/29/72/168372972.db2.gz PLQUFJFQPDUDQG-UHFFFAOYSA-N 2 0 216.369 1.733 20 0 BDADRP CC1([NH3+])CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000381787900 398272136 /nfs/dbraw/zinc/27/21/36/398272136.db2.gz ZGULFASOGNEOPG-NSHDSACASA-N 2 0 212.337 1.226 20 0 BDADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc2c[nH]nc2c1 ZINC000583329754 342696909 /nfs/dbraw/zinc/69/69/09/342696909.db2.gz ANYQKHIJAVRJHR-GWCFXTLKSA-N 2 0 244.342 1.875 20 0 BDADRP CC[C@@H](CO)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000037221573 538961872 /nfs/dbraw/zinc/96/18/72/538961872.db2.gz NTVUKZDCWQLWGJ-PWSUYJOCSA-N 2 0 214.353 1.077 20 0 BDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000583937442 342728611 /nfs/dbraw/zinc/72/86/11/342728611.db2.gz NCVIGRJXTAOGCY-QJPTWQEYSA-N 2 0 241.379 1.103 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@H](O)CC1CCCC1 ZINC000232130302 342788848 /nfs/dbraw/zinc/78/88/48/342788848.db2.gz KWMOJXFPUMOPNI-GXTWGEPZSA-N 2 0 242.407 1.857 20 0 BDADRP CC(C)[NH+]1CCC(N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000040671739 538972126 /nfs/dbraw/zinc/97/21/26/538972126.db2.gz AEAJNPVYSVIWHT-AWEZNQCLSA-N 2 0 239.407 1.543 20 0 BDADRP C(C[NH2+][C@H]1CCO[C@@H]1C1CC1)C[NH+]1CCCC1 ZINC000232457498 342834873 /nfs/dbraw/zinc/83/48/73/342834873.db2.gz RKFXHUOZCBERMB-UONOGXRCSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@H]([NH2+][C@@H](CCO)C(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC000583988665 342829948 /nfs/dbraw/zinc/82/99/48/342829948.db2.gz PCBHIYZCNCPQCB-AVGNSLFASA-N 2 0 242.407 1.761 20 0 BDADRP Cc1cc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)on1 ZINC000044986336 538991013 /nfs/dbraw/zinc/99/10/13/538991013.db2.gz IHUPTFHFGFQZGN-NSHDSACASA-N 2 0 237.347 1.803 20 0 BDADRP C1=CC[C@H](C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000379803225 538980254 /nfs/dbraw/zinc/98/02/54/538980254.db2.gz MYYLMWZHTVKKJM-AVGNSLFASA-N 2 0 206.333 1.494 20 0 BDADRP CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000381479042 539001638 /nfs/dbraw/zinc/00/16/38/539001638.db2.gz RZLPJVYCFNNJJS-UTUOFQBUSA-N 2 0 228.380 1.730 20 0 BDADRP C[N@@H+]1CC[C@@H](NC2C[NH2+]C2)C[C@@H]1c1ccccc1 ZINC000335626075 136240738 /nfs/dbraw/zinc/24/07/38/136240738.db2.gz XDYWCVFTUKMIKG-UKRRQHHQSA-N 2 0 245.370 1.383 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1NCC1([NH3+])CCCCC1 ZINC000335626292 136240893 /nfs/dbraw/zinc/24/08/93/136240893.db2.gz VTHRSQKFXJGYLE-NEPJUHHUSA-N 2 0 225.380 1.236 20 0 BDADRP CC[NH+]1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000107981759 539027613 /nfs/dbraw/zinc/02/76/13/539027613.db2.gz MOOZDTMQPIICQG-CYBMUJFWSA-N 2 0 225.380 1.014 20 0 BDADRP c1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)n[nH]1 ZINC000335633528 136241755 /nfs/dbraw/zinc/24/17/55/136241755.db2.gz IYFFDWFRSNFCQM-VXGBXAGGSA-N 2 0 234.347 1.231 20 0 BDADRP Cn1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cn1 ZINC000335634085 136241831 /nfs/dbraw/zinc/24/18/31/136241831.db2.gz MBAJEZLMRACDHQ-ZIAGYGMSSA-N 2 0 248.374 1.242 20 0 BDADRP C[C@@H](C[NH2+]C1CSC1)C[NH+]1CCCCC1 ZINC000389955106 539018751 /nfs/dbraw/zinc/01/87/51/539018751.db2.gz UBECKVZFWIYGEC-NSHDSACASA-N 2 0 228.405 1.813 20 0 BDADRP C1CC([NH2+][C@H]2CCCC[NH2+]C2)CCS1 ZINC000335644860 136243167 /nfs/dbraw/zinc/24/31/67/136243167.db2.gz VUHVXAJIVXELFC-NSHDSACASA-N 2 0 214.378 1.614 20 0 BDADRP CC(C)[NH+]1CCC(N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000335637670 136242994 /nfs/dbraw/zinc/24/29/94/136242994.db2.gz QQWRJSMMRHHCQE-GXTWGEPZSA-N 2 0 239.407 1.447 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCSC1 ZINC000335646745 136244006 /nfs/dbraw/zinc/24/40/06/136244006.db2.gz MILUSJLVGCIJMV-ZJUUUORDSA-N 2 0 214.378 1.470 20 0 BDADRP C[N@H+](CCC[NH3+])CC[C@H]1CCCCO1 ZINC000382082873 398304814 /nfs/dbraw/zinc/30/48/14/398304814.db2.gz QNZCQNVNSSNSBC-LLVKDONJSA-N 2 0 200.326 1.226 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC[C@H]1CCOC1 ZINC000300361418 259326994 /nfs/dbraw/zinc/32/69/94/259326994.db2.gz DLPNGUFMUNWONJ-GRYCIOLGSA-N 2 0 212.337 1.225 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H](CO)C2CCCC2)C1 ZINC000385999956 342895853 /nfs/dbraw/zinc/89/58/53/342895853.db2.gz KKTAIUASODTSBX-JHJVBQTASA-N 2 0 226.364 1.397 20 0 BDADRP C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000385999320 342896117 /nfs/dbraw/zinc/89/61/17/342896117.db2.gz KIZAVDJXCZAMKT-IGQOVBAYSA-N 2 0 239.407 1.589 20 0 BDADRP C[NH+](C)C1CCC([NH2+]Cc2cc[nH]n2)CC1 ZINC000309911822 398326034 /nfs/dbraw/zinc/32/60/34/398326034.db2.gz NCIHZYJKZKCTMA-UHFFFAOYSA-N 2 0 222.336 1.372 20 0 BDADRP COC(=O)C1(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000602624672 349642489 /nfs/dbraw/zinc/64/24/89/349642489.db2.gz PTXMJVCZYCSZCO-QWRGUYRKSA-N 2 0 240.347 1.012 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCO[C@H](C)C1 ZINC000300360084 398343799 /nfs/dbraw/zinc/34/37/99/398343799.db2.gz SWPBKKKDAUYUAN-OLZOCXBDSA-N 2 0 228.380 1.874 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccccc2N(C)C)C1 ZINC000351856752 136258058 /nfs/dbraw/zinc/25/80/58/136258058.db2.gz WATJLUKKLBQJAV-QWHCGFSZSA-N 2 0 247.386 1.922 20 0 BDADRP CCc1noc(C)c1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351853558 136258224 /nfs/dbraw/zinc/25/82/24/136258224.db2.gz PBDDZJGHUDDIKJ-KOLCDFICSA-N 2 0 237.347 1.715 20 0 BDADRP CSC[C@H](O)C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000576863787 365707150 /nfs/dbraw/zinc/70/71/50/365707150.db2.gz MJXTZSHDIRWLGR-VXGBXAGGSA-N 2 0 246.420 1.032 20 0 BDADRP C(C[C@H]1CCC[NH2+]1)[NH2+]C(C1CC1)C1CC1 ZINC000049237902 343096804 /nfs/dbraw/zinc/09/68/04/343096804.db2.gz LLSPOMLOWQGYBU-GFCCVEGCSA-N 2 0 208.349 1.907 20 0 BDADRP CC1(C)CC[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000168429522 136267753 /nfs/dbraw/zinc/26/77/53/136267753.db2.gz FNSYTNIXPWJYAG-OLZOCXBDSA-N 2 0 240.391 1.611 20 0 BDADRP CC1(C)CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000168429419 136267784 /nfs/dbraw/zinc/26/77/84/136267784.db2.gz FNSYTNIXPWJYAG-STQMWFEESA-N 2 0 240.391 1.611 20 0 BDADRP Cc1cc(C[NH3+])oc1-c1nc([C@H]2CCC[NH2+]2)no1 ZINC000634556927 362047754 /nfs/dbraw/zinc/04/77/54/362047754.db2.gz IFJDLSFYPNCBFJ-SECBINFHSA-N 2 0 248.286 1.521 20 0 BDADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000576881308 365712785 /nfs/dbraw/zinc/71/27/85/365712785.db2.gz YULQIDGKPCZJJC-HUUCEWRRSA-N 2 0 248.370 1.446 20 0 BDADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000576881307 365712968 /nfs/dbraw/zinc/71/29/68/365712968.db2.gz YULQIDGKPCZJJC-GJZGRUSLSA-N 2 0 248.370 1.446 20 0 BDADRP COC[C@H](C)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000120562390 343127189 /nfs/dbraw/zinc/12/71/89/343127189.db2.gz MPKLCWJWKGOZPX-CYBMUJFWSA-N 2 0 228.380 1.687 20 0 BDADRP COCC[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000062079374 136271965 /nfs/dbraw/zinc/27/19/65/136271965.db2.gz MVQRHWBRCGSAPA-QWHCGFSZSA-N 2 0 228.380 1.733 20 0 BDADRP C[N@@H+](Cc1cccc(O)c1)CC1CC[NH2+]CC1 ZINC000094011065 343152506 /nfs/dbraw/zinc/15/25/06/343152506.db2.gz VRJAZXBXPZZVEW-UHFFFAOYSA-N 2 0 234.343 1.824 20 0 BDADRP C[NH2+]CC1CC[NH+](C[C@@H](C)COC)CC1 ZINC000163537308 343206616 /nfs/dbraw/zinc/20/66/16/343206616.db2.gz DUWCHWUOXRYKRA-LLVKDONJSA-N 2 0 214.353 1.200 20 0 BDADRP CC1(C)C[C@@H]([NH2+][C@@H]2CCc3nc[nH]c3C2)CCO1 ZINC000634684617 343217694 /nfs/dbraw/zinc/21/76/94/343217694.db2.gz VWFGRLHWQHJTBY-MNOVXSKESA-N 2 0 249.358 1.814 20 0 BDADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCCCO)CC[C@@H]21 ZINC000088091301 136284365 /nfs/dbraw/zinc/28/43/65/136284365.db2.gz YEAFRILIHGCUDH-OLZOCXBDSA-N 2 0 226.364 1.175 20 0 BDADRP CCC(O)(CC)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000222934131 136278197 /nfs/dbraw/zinc/27/81/97/136278197.db2.gz SXSJSETXRGJOQE-RYUDHWBXSA-N 2 0 228.380 1.610 20 0 BDADRP CCC(O)(CC)C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000084222831 136290719 /nfs/dbraw/zinc/29/07/19/136290719.db2.gz GLDKJIBSYCWSSP-GHMZBOCLSA-N 2 0 214.353 1.255 20 0 BDADRP CN(C)c1ncc(C[NH2+]Cc2ccccc2)n1C ZINC000070142500 343301831 /nfs/dbraw/zinc/30/18/31/343301831.db2.gz QMUNCFYOQRKOSR-UHFFFAOYSA-N 2 0 244.342 1.776 20 0 BDADRP C[NH2+]C[C@](C)(O)CN(C)Cc1ccc(F)cc1 ZINC000584058037 343309199 /nfs/dbraw/zinc/30/91/99/343309199.db2.gz GDWBZNLIUIFYHB-ZDUSSCGKSA-N 2 0 240.322 1.228 20 0 BDADRP c1ccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)nc1 ZINC000335636018 136300719 /nfs/dbraw/zinc/30/07/19/136300719.db2.gz SYTYKEJGYILEHP-KBPBESRZSA-N 2 0 245.370 1.903 20 0 BDADRP C(C1CC1)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000335638039 136303118 /nfs/dbraw/zinc/30/31/18/136303118.db2.gz ZWWIKHWDARFXKY-STQMWFEESA-N 2 0 208.349 1.718 20 0 BDADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccno2)[C@@H](C)C1 ZINC000569874463 323043407 /nfs/dbraw/zinc/04/34/07/323043407.db2.gz IHWSDQMJMXTUNR-WCQYABFASA-N 2 0 237.347 1.837 20 0 BDADRP CC[NH2+]Cc1cccc(NC(=O)C2([NH3+])CC2)c1 ZINC000122944420 343391496 /nfs/dbraw/zinc/39/14/96/343391496.db2.gz LZQKOKQRZFXHDU-UHFFFAOYSA-N 2 0 233.315 1.226 20 0 BDADRP Cn1ccnc1[C@H]1CC[N@H+](CC[C@H]2CCOC2)C1 ZINC000349153676 136327074 /nfs/dbraw/zinc/32/70/74/136327074.db2.gz SGRKJOWXVSUKMH-STQMWFEESA-N 2 0 249.358 1.636 20 0 BDADRP C[NH+]1CCC(CC[NH2+]C[C@@H](O)C(C)(C)C)CC1 ZINC000310283382 343411997 /nfs/dbraw/zinc/41/19/97/343411997.db2.gz YPRMLXFFCZTVMD-CYBMUJFWSA-N 2 0 242.407 1.715 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)C2([NH3+])CC2)cc1 ZINC000335682580 136329244 /nfs/dbraw/zinc/32/92/44/136329244.db2.gz CESJOVWJOAGFCC-QMMMGPOBSA-N 2 0 219.288 1.136 20 0 BDADRP COCC[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000086500488 536894323 /nfs/dbraw/zinc/89/43/23/536894323.db2.gz IHYPBBQQEGLNNX-NEPJUHHUSA-N 2 0 214.353 1.533 20 0 BDADRP COC[C@@H](C)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000570092902 323049896 /nfs/dbraw/zinc/04/98/96/323049896.db2.gz AVNRUJDLJLZNEM-QWHCGFSZSA-N 2 0 226.364 1.344 20 0 BDADRP [NH3+]CCN1CCC[C@H]1Cc1ccc(F)cc1 ZINC000084014245 343513897 /nfs/dbraw/zinc/51/38/97/343513897.db2.gz GRRABQLVJPWXAY-ZDUSSCGKSA-N 2 0 222.307 1.791 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@H](C)Cc1ccsc1 ZINC000379621689 343585777 /nfs/dbraw/zinc/58/57/77/343585777.db2.gz GFJWXSHIRCTXHE-NXEZZACHSA-N 2 0 212.362 1.864 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@H](C)CCc1ccco1 ZINC000308806305 259367508 /nfs/dbraw/zinc/36/75/08/259367508.db2.gz AGHFJGGGMFXACZ-GHMZBOCLSA-N 2 0 210.321 1.785 20 0 BDADRP [NH3+]CCCOC1CC[NH+](CCCF)CC1 ZINC000088026450 343694892 /nfs/dbraw/zinc/69/48/92/343694892.db2.gz HVWIJDNMJWEIKE-UHFFFAOYSA-N 2 0 218.316 1.176 20 0 BDADRP CC1(C)CCC[N@@H+]1CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000584182714 343771017 /nfs/dbraw/zinc/77/10/17/343771017.db2.gz IZLCBYCJDRHDRR-CHWSQXEVSA-N 2 0 239.407 1.720 20 0 BDADRP Cc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cn1 ZINC000163482438 178578191 /nfs/dbraw/zinc/57/81/91/178578191.db2.gz BOTXHBULYCASPG-BXUZGUMPSA-N 2 0 233.359 1.807 20 0 BDADRP CC[NH2+]CCCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000576506730 343751990 /nfs/dbraw/zinc/75/19/90/343751990.db2.gz DNNKIRQEKLBKEF-MGPQQGTHSA-N 2 0 239.407 1.448 20 0 BDADRP [NH3+][C@@H]1CCN(CCOc2ccccc2)C1 ZINC000042896718 343780423 /nfs/dbraw/zinc/78/04/23/343780423.db2.gz HKNLMQQDCDPTGG-LLVKDONJSA-N 2 0 206.289 1.098 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)C1(C)C ZINC000300625160 537813125 /nfs/dbraw/zinc/81/31/25/537813125.db2.gz FGUCJAKYVZFUQI-YNEHKIRRSA-N 2 0 240.391 1.922 20 0 BDADRP CCOCC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC000409425409 343819401 /nfs/dbraw/zinc/81/94/01/343819401.db2.gz FSRKUIUVHVBOIF-UHFFFAOYSA-N 2 0 226.364 1.487 20 0 BDADRP Cc1cccc(C)c1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000096811121 343904282 /nfs/dbraw/zinc/90/42/82/343904282.db2.gz MDOCYSXRSQJNGP-ZIAGYGMSSA-N 2 0 230.355 1.955 20 0 BDADRP COCC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621782929 343904660 /nfs/dbraw/zinc/90/46/60/343904660.db2.gz UZMFPIIKNPWEJW-SRVKXCTJSA-N 2 0 212.337 1.225 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2([NH3+])CCOCC2)[C@H]1C ZINC000395141432 362274957 /nfs/dbraw/zinc/27/49/57/362274957.db2.gz FWISPIMQMYMTAU-OUAUKWLOSA-N 2 0 212.337 1.128 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2([NH3+])CCOCC2)[C@@H]1C ZINC000395141430 362275278 /nfs/dbraw/zinc/27/52/78/362275278.db2.gz FWISPIMQMYMTAU-MXWKQRLJSA-N 2 0 212.337 1.128 20 0 BDADRP CC(C)([NH3+])CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732242 344106843 /nfs/dbraw/zinc/10/68/43/344106843.db2.gz BIUAKMCYEGOSHG-SNVBAGLBSA-N 2 0 213.369 1.092 20 0 BDADRP CC(C)([NH3+])CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732241 344106974 /nfs/dbraw/zinc/10/69/74/344106974.db2.gz BIUAKMCYEGOSHG-JTQLQIEISA-N 2 0 213.369 1.092 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000634733766 344113966 /nfs/dbraw/zinc/11/39/66/344113966.db2.gz NIPOSKNKZUIKFE-OLZOCXBDSA-N 3 0 239.407 1.496 20 0 BDADRP CC1(C)C[NH2+]CC[C@H](N[C@@H]2CCC[NH2+]C2)C1 ZINC000634734195 344114639 /nfs/dbraw/zinc/11/46/39/344114639.db2.gz ZGVGYOQKENMUQX-NWDGAFQWSA-N 2 0 225.380 1.106 20 0 BDADRP Cc1ccc(C[NH2+][C@H](C)CCC[NH3+])cn1 ZINC000308791445 178630235 /nfs/dbraw/zinc/63/02/35/178630235.db2.gz BDLZDMSAOQMKED-SNVBAGLBSA-N 2 0 207.321 1.607 20 0 BDADRP NC(=[NH2+])NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000078716486 344101558 /nfs/dbraw/zinc/10/15/58/344101558.db2.gz YNJKGGMDAUKNLA-SECBINFHSA-N 2 0 238.360 1.368 20 0 BDADRP CC1(C)CC[C@H]([NH2+]C[C@@H]2CNCCO2)C1 ZINC000129526015 344213727 /nfs/dbraw/zinc/21/37/27/344213727.db2.gz RSFHWYSRUGRGPA-QWRGUYRKSA-N 2 0 212.337 1.143 20 0 BDADRP COCCCC[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000131057987 344227273 /nfs/dbraw/zinc/22/72/73/344227273.db2.gz DXFLODLBLCXZCW-GFCCVEGCSA-N 2 0 214.353 1.616 20 0 BDADRP C[C@@H]([NH3+])CCC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634761592 344252207 /nfs/dbraw/zinc/25/22/07/344252207.db2.gz FJUZHSUZSYLYRM-GHMZBOCLSA-N 2 0 241.379 1.008 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]CCCC[NH+](C)C ZINC000132996354 344310483 /nfs/dbraw/zinc/31/04/83/344310483.db2.gz BIMLRWFSXRFMGL-WDEREUQCSA-N 2 0 202.342 1.341 20 0 BDADRP C[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)C[NH+]1CCCC1 ZINC000093216027 344312287 /nfs/dbraw/zinc/31/22/87/344312287.db2.gz FLWDBVYMNUMRIK-RDBSUJKOSA-N 2 0 239.407 1.578 20 0 BDADRP COc1cc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)ccn1 ZINC000093216018 344312499 /nfs/dbraw/zinc/31/24/99/344312499.db2.gz GNXVKLAXEHWFNB-RYUDHWBXSA-N 2 0 235.331 1.450 20 0 BDADRP C[NH2+]C1CC[NH+](CCCCC(=O)OC)CC1 ZINC000600703018 344359974 /nfs/dbraw/zinc/35/99/74/344359974.db2.gz JPMVMGLGQATFSG-UHFFFAOYSA-N 2 0 228.336 1.014 20 0 BDADRP CC[C@@H]1C[N@H+](CCCCC(=O)OC)CC[C@@H]1[NH3+] ZINC000600709269 344360928 /nfs/dbraw/zinc/36/09/28/344360928.db2.gz IBDBCZHFLRJOPW-NEPJUHHUSA-N 2 0 242.363 1.389 20 0 BDADRP CN1CCC[C@H]1C[N@H+](C)CCC1CC[NH2+]CC1 ZINC000092630496 344300012 /nfs/dbraw/zinc/30/00/12/344300012.db2.gz BDVIEZKLGHDJCY-AWEZNQCLSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@H]([NH2+]CCCC[NH+](C)C)[C@@H]1CCOC1 ZINC000132993884 344310098 /nfs/dbraw/zinc/31/00/98/344310098.db2.gz WYQCHCYUMSHVMF-NWDGAFQWSA-N 2 0 214.353 1.343 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000133010435 344310261 /nfs/dbraw/zinc/31/02/61/344310261.db2.gz QUIFCHSLQQNYSH-HBNTYKKESA-N 2 0 202.342 1.340 20 0 BDADRP CCOC[C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000133009266 344310328 /nfs/dbraw/zinc/31/03/28/344310328.db2.gz BPCGSVXIIZWKGY-WDEREUQCSA-N 2 0 202.342 1.341 20 0 BDADRP Cn1cccc1C[NH2+]CCn1ccnc1 ZINC000049537498 344651208 /nfs/dbraw/zinc/65/12/08/344651208.db2.gz MYKYCUHLJQQRMH-UHFFFAOYSA-N 2 0 204.277 1.011 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)CCS1 ZINC000158587889 344685319 /nfs/dbraw/zinc/68/53/19/344685319.db2.gz DLLPJZFDHNBJOI-NXEZZACHSA-N 2 0 200.351 1.033 20 0 BDADRP C[C@@H](O)[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000562988589 323078341 /nfs/dbraw/zinc/07/83/41/323078341.db2.gz QCEHVTAPQZXZON-MGPQQGTHSA-N 2 0 242.407 1.857 20 0 BDADRP Cc1ncc(C[N@H+](C)CC2CC[NH+](C)CC2)o1 ZINC000628163943 344868343 /nfs/dbraw/zinc/86/83/43/344868343.db2.gz YNOIHLSFNIPLLS-UHFFFAOYSA-N 2 0 237.347 1.757 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]CCOCC[NH+](C)C)C1 ZINC000234768064 537872942 /nfs/dbraw/zinc/87/29/42/537872942.db2.gz ZKHYSUYSCUDEHC-QWHCGFSZSA-N 2 0 244.379 1.112 20 0 BDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)C(C)(C)C ZINC000155079028 345063805 /nfs/dbraw/zinc/06/38/05/345063805.db2.gz QWSDQSHLJRLMAY-CHWSQXEVSA-N 2 0 241.423 1.647 20 0 BDADRP OC1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000155799439 345104305 /nfs/dbraw/zinc/10/43/05/345104305.db2.gz YKQGSUPOBNAGAZ-YIFLHPOLSA-N 2 0 238.375 1.506 20 0 BDADRP C([C@@H]1CCN(CC23CC(C2)C[NH2+]3)C1)[NH+]1CCCC1 ZINC000634993339 345189715 /nfs/dbraw/zinc/18/97/15/345189715.db2.gz RGORMKIRZQSGIG-NFOMZHRRSA-N 2 0 249.402 1.156 20 0 BDADRP CC(C)[C@@H](C[NH3+])CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000634991038 345173972 /nfs/dbraw/zinc/17/39/72/345173972.db2.gz NENTZJILQGLLFV-ICIURTGMSA-N 2 0 239.407 1.432 20 0 BDADRP C[NH2+]CCC1CC[NH+](C[C@H](C[NH3+])C(C)C)CC1 ZINC000634991483 345177692 /nfs/dbraw/zinc/17/76/92/345177692.db2.gz GKXIPQMXTCDBAK-AWEZNQCLSA-N 3 0 241.423 1.539 20 0 BDADRP C(N1CCC([C@H]2CC[NH2+]C2)CC1)C12CC(C1)C[NH2+]2 ZINC000634994587 345181514 /nfs/dbraw/zinc/18/15/14/345181514.db2.gz HZJMNXDUDWRCJG-BLZCZZARSA-N 2 0 249.402 1.060 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CNCC12CC(C1)C[NH2+]2 ZINC000634995911 345185743 /nfs/dbraw/zinc/18/57/43/345185743.db2.gz SMXHQABHEQIPQC-ROKHWSDSSA-N 2 0 237.391 1.202 20 0 BDADRP CC(C)[C@H](C[NH3+])C[NH2+][C@@H](C)CCCC[NH3+] ZINC000634995991 345185801 /nfs/dbraw/zinc/18/58/01/345185801.db2.gz VXQOYSDPPYEPES-NWDGAFQWSA-N 3 0 215.385 1.324 20 0 BDADRP CC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)COC1 ZINC000156152576 345132828 /nfs/dbraw/zinc/13/28/28/345132828.db2.gz VRVOXQQZVTXNRN-VXGBXAGGSA-N 2 0 224.348 1.239 20 0 BDADRP CC(C)[C@@H](C[NH3+])CN1C[C@H]([NH3+])Cc2ccccc21 ZINC000634996407 345187412 /nfs/dbraw/zinc/18/74/12/345187412.db2.gz IWRCITYAGNSAKX-UONOGXRCSA-N 2 0 247.386 1.607 20 0 BDADRP CC[NH+]1CCC(C[NH2+]CC[C@@H]2CCOC2)CC1 ZINC000400590373 345245834 /nfs/dbraw/zinc/24/58/34/345245834.db2.gz PNQHYZNKGBJWFH-CQSZACIVSA-N 2 0 240.391 1.735 20 0 BDADRP CO[C@H]1CN(CC23CC(C2)C[NH2+]3)CC[C@@H]1C ZINC000634993828 345192098 /nfs/dbraw/zinc/19/20/98/345192098.db2.gz HLRPRWYXPGDLMQ-QCXCNERSSA-N 2 0 224.348 1.095 20 0 BDADRP CC(C)[C@@H](C[NH3+])CN[C@H]1CC[NH2+]C12CCC2 ZINC000634997648 345193270 /nfs/dbraw/zinc/19/32/70/345193270.db2.gz PUELYPFJCRBMSD-RYUDHWBXSA-N 2 0 225.380 1.092 20 0 BDADRP C([NH2+][C@]12C[C@H]1CCCC2)C12CC(C1)C[NH2+]2 ZINC000635001315 345197019 /nfs/dbraw/zinc/19/70/19/345197019.db2.gz OAODLIJIAKIPIT-POOIEITISA-N 2 0 206.333 1.661 20 0 BDADRP CCc1nn(C)cc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634999685 345200708 /nfs/dbraw/zinc/20/07/08/345200708.db2.gz XWZIJMMOSXQAEO-GHMZBOCLSA-N 2 0 236.363 1.009 20 0 BDADRP C[C@H]([NH2+][C@H]1CCCn2nccc21)[C@H]1CCC[NH2+]C1 ZINC000635002557 345204550 /nfs/dbraw/zinc/20/45/50/345204550.db2.gz UKULLGLYYZHNKG-AVGNSLFASA-N 2 0 248.374 1.696 20 0 BDADRP CC[C@H](COC)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635007450 345205868 /nfs/dbraw/zinc/20/58/68/345205868.db2.gz QGQSAUZIUPSYGS-IJLUTSLNSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccccc1)C1C[NH2+]C1 ZINC000635003344 345206265 /nfs/dbraw/zinc/20/62/65/345206265.db2.gz IHSLOTXYSZPDHQ-DFBGVHRSSA-N 2 0 246.354 1.714 20 0 BDADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCCOCC2)CC1 ZINC000635003438 345206307 /nfs/dbraw/zinc/20/63/07/345206307.db2.gz DCPFTZZVUNCRLU-JHJVBQTASA-N 2 0 226.364 1.663 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CCO1 ZINC000635003820 345206835 /nfs/dbraw/zinc/20/68/35/345206835.db2.gz FMRDPCDNPLLNJT-FDYHWXHSSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000635004525 345207595 /nfs/dbraw/zinc/20/75/95/345207595.db2.gz IQOKZTVMCKJFSC-LADJIXMOSA-N 2 0 200.326 1.268 20 0 BDADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000635005127 345209126 /nfs/dbraw/zinc/20/91/26/345209126.db2.gz MQFXEZDLUYYVIN-AAVRWANBSA-N 3 0 239.407 1.754 20 0 BDADRP COC[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)C(C)C ZINC000635005278 345209132 /nfs/dbraw/zinc/20/91/32/345209132.db2.gz IUEFGUBVJUOOBP-JHJVBQTASA-N 2 0 228.380 1.765 20 0 BDADRP COC[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)C1CC1 ZINC000635006483 345210569 /nfs/dbraw/zinc/21/05/69/345210569.db2.gz MSIFFSPCNJETDC-RAIGVLPGSA-N 2 0 226.364 1.519 20 0 BDADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCCSC2)CC1 ZINC000635006861 345211283 /nfs/dbraw/zinc/21/12/83/345211283.db2.gz UBOBBPUVYGCTKV-IJLUTSLNSA-N 2 0 228.405 1.989 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1cnn(C)c1 ZINC000635006737 345211487 /nfs/dbraw/zinc/21/14/87/345211487.db2.gz NCTULFGZYOFNJK-NQBHXWOUSA-N 2 0 236.363 1.588 20 0 BDADRP C[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)C1C[NH2+]C1 ZINC000635009623 345212140 /nfs/dbraw/zinc/21/21/40/345212140.db2.gz JHVMTKYVKKVUTC-LLVKDONJSA-N 3 0 245.370 1.030 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)[C@@H]1CCCO1 ZINC000635011251 345212685 /nfs/dbraw/zinc/21/26/85/345212685.db2.gz MXFICXDIPYOPJU-XQQFMLRXSA-N 2 0 240.391 1.922 20 0 BDADRP CC[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)[C@H]1CCOC1 ZINC000635008246 345216041 /nfs/dbraw/zinc/21/60/41/345216041.db2.gz SMURALCTTRUBMP-XUXIUFHCSA-N 2 0 240.391 1.909 20 0 BDADRP c1cc(C[NH2+]C2CCOCC2)c2c(c1)C[NH2+]CC2 ZINC000635013258 345217703 /nfs/dbraw/zinc/21/77/03/345217703.db2.gz ZPRRSHFZENQNEL-UHFFFAOYSA-N 2 0 246.354 1.601 20 0 BDADRP COCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134903590 345425411 /nfs/dbraw/zinc/42/54/11/345425411.db2.gz JCXTUSMOVQFHGD-TZMCWYRMSA-N 2 0 238.375 1.582 20 0 BDADRP C[NH+](C)CCCC[NH2+]Cc1ccc(=O)[nH]c1 ZINC000390338191 345398524 /nfs/dbraw/zinc/39/85/24/345398524.db2.gz JDXJVZUWYRICON-UHFFFAOYSA-N 2 0 223.320 1.219 20 0 BDADRP C[C@H]1CCC[C@@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000088728188 345544788 /nfs/dbraw/zinc/54/47/88/345544788.db2.gz BVPZRXMSXOFEBP-RYUDHWBXSA-N 2 0 226.364 1.221 20 0 BDADRP CC(C)[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000159904190 345628229 /nfs/dbraw/zinc/62/82/29/345628229.db2.gz GJKWZWNUHFLVLG-MGPQQGTHSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)C[C@@H]1O ZINC000093344541 345654505 /nfs/dbraw/zinc/65/45/05/345654505.db2.gz HXJOSSJQEBXCHT-AGIUHOORSA-N 2 0 226.364 1.173 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]Cc2ccncc2N)CN1C1CC1 ZINC000641732774 362652306 /nfs/dbraw/zinc/65/23/06/362652306.db2.gz BPGAMQFJSPOOKD-PWSUYJOCSA-N 2 0 246.358 1.379 20 0 BDADRP C[NH+](C)CCCC[NH2+]Cc1ccncc1F ZINC000390258009 259384234 /nfs/dbraw/zinc/38/42/34/259384234.db2.gz NSHDHDAPOVIZBW-UHFFFAOYSA-N 2 0 225.311 1.652 20 0 BDADRP C[NH+]1CCC(CC[NH2+]Cc2ccncc2N)CC1 ZINC000641718472 362634342 /nfs/dbraw/zinc/63/43/42/362634342.db2.gz YLJXEJANCAAGQF-UHFFFAOYSA-N 2 0 248.374 1.485 20 0 BDADRP CC(C)C[C@H](CNC(=O)[C@@H](C)[NH+](C)C)[NH+](C)C ZINC000635557241 345714122 /nfs/dbraw/zinc/71/41/22/345714122.db2.gz XHVMKKZSRRPSKF-VXGBXAGGSA-N 2 0 243.395 1.029 20 0 BDADRP CCOC(=O)CCCC[NH+]1CCC([NH2+]C)CC1 ZINC000202795314 345730426 /nfs/dbraw/zinc/73/04/26/345730426.db2.gz YLAOOUFKYVKJPR-UHFFFAOYSA-N 2 0 242.363 1.404 20 0 BDADRP C[C@H](C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[NH+](C)C ZINC000635607343 345890924 /nfs/dbraw/zinc/89/09/24/345890924.db2.gz ZOQSGYRYENPBIR-MNOVXSKESA-N 2 0 243.395 1.029 20 0 BDADRP C[C@H](C(=O)NC(C)(C)CCC[NH+](C)C)[NH+](C)C ZINC000635992547 346142817 /nfs/dbraw/zinc/14/28/17/346142817.db2.gz WHWPFMORWYRNHX-LLVKDONJSA-N 2 0 243.395 1.173 20 0 BDADRP CC(C)OCC[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397392267 323108111 /nfs/dbraw/zinc/10/81/11/323108111.db2.gz NZGPOMKLSBCKGI-UPJWGTAASA-N 2 0 228.380 1.717 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+]C2CCC(O)CC2)CC1(C)C ZINC000628241068 346203745 /nfs/dbraw/zinc/20/37/45/346203745.db2.gz HHBUMOXYGGLKED-OTTFEQOBSA-N 2 0 240.391 1.752 20 0 BDADRP Cc1cc(N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)ncn1 ZINC000631325593 346217076 /nfs/dbraw/zinc/21/70/76/346217076.db2.gz GPTNDHFVEJXJJW-NEPJUHHUSA-N 2 0 232.331 1.173 20 0 BDADRP Cc1c[nH]c(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000628272952 346283472 /nfs/dbraw/zinc/28/34/72/346283472.db2.gz DBMPDZIBDWKFCD-FUNVUKJBSA-N 2 0 248.374 1.775 20 0 BDADRP Cc1cccc(C)c1C[N@H+](C)C[C@H](O)C[NH3+] ZINC000336756883 179032611 /nfs/dbraw/zinc/03/26/11/179032611.db2.gz YRKMSBZHZWNWKA-GFCCVEGCSA-N 2 0 222.332 1.055 20 0 BDADRP Cc1c[nH]c(CN(C)CC[N@H+](C)C2CC2)n1 ZINC000628280204 346290870 /nfs/dbraw/zinc/29/08/70/346290870.db2.gz VZUUXPXNEYGOCW-UHFFFAOYSA-N 2 0 222.336 1.244 20 0 BDADRP COC[C@H](C)[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000563421929 323124157 /nfs/dbraw/zinc/12/41/57/323124157.db2.gz YCXZNAIPTNADNV-UNXYVOJBSA-N 2 0 212.337 1.225 20 0 BDADRP CN1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000378952514 346428147 /nfs/dbraw/zinc/42/81/47/346428147.db2.gz IRVVVOVANUVBCL-NDBYEHHHSA-N 2 0 208.349 1.859 20 0 BDADRP CCC(F)(F)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000641798157 362741434 /nfs/dbraw/zinc/74/14/34/362741434.db2.gz IBOAGPNKUSSRQJ-PHIMTYICSA-N 2 0 232.318 1.963 20 0 BDADRP C[C@@H]1CC[C@H](CN)[N@H+](CC[C@H]2CC[NH2+]C2)[C@@H]1C ZINC000641804064 362761796 /nfs/dbraw/zinc/76/17/96/362761796.db2.gz AJMNCJYMPIUZOI-AAVRWANBSA-N 2 0 239.407 1.434 20 0 BDADRP C[C@@H]1CCC(C)(C)[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000641802124 362757903 /nfs/dbraw/zinc/75/79/03/362757903.db2.gz XVRWGXVGLIGLOX-VXGBXAGGSA-N 2 0 238.375 1.770 20 0 BDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCCCCF ZINC000641802437 362760295 /nfs/dbraw/zinc/76/02/95/362760295.db2.gz KWJXUWOVOIVOCF-UWVGGRQHSA-N 2 0 202.317 1.842 20 0 BDADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2CCSC2)C1 ZINC000624119506 346650826 /nfs/dbraw/zinc/65/08/26/346650826.db2.gz DGBPMEPGIJMCHB-NEPJUHHUSA-N 2 0 228.405 1.813 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)CC[NH2+]1 ZINC000582062276 347160453 /nfs/dbraw/zinc/16/04/53/347160453.db2.gz APPYGLXUGVAWFY-SYQHCUMBSA-N 2 0 238.375 1.485 20 0 BDADRP CC[NH+]1CCC([NH2+]CCOC(F)(F)F)CC1 ZINC000309669542 347132652 /nfs/dbraw/zinc/13/26/52/347132652.db2.gz VMJMISJAJROJQH-UHFFFAOYSA-N 2 0 240.269 1.597 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)[C@H]1CCCOC1 ZINC000388445324 347408870 /nfs/dbraw/zinc/40/88/70/347408870.db2.gz HVNBAXAPSFVLJJ-IHRRRGAJSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C1(C)CC1 ZINC000166814932 136745192 /nfs/dbraw/zinc/74/51/92/136745192.db2.gz JGPFNQBQRYRMBK-NWDGAFQWSA-N 2 0 226.364 1.221 20 0 BDADRP CCOCCCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000388382074 347375637 /nfs/dbraw/zinc/37/56/37/347375637.db2.gz RQMPSXVDXBJIFX-CHWSQXEVSA-N 2 0 228.380 1.910 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](C[C@H]2CC[C@@H](C)O2)CC1 ZINC000149760075 347510458 /nfs/dbraw/zinc/51/04/58/347510458.db2.gz WKORBHPLNDWUGU-NQBHXWOUSA-N 2 0 226.364 1.613 20 0 BDADRP CC[C@H]([NH2+]C[C@@H](C)[NH3+])C1(C(=O)OC)CCC1 ZINC000591581388 347678827 /nfs/dbraw/zinc/67/88/27/347678827.db2.gz SZDJRNLPUGLBCE-ZJUUUORDSA-N 2 0 228.336 1.045 20 0 BDADRP CSC[C@H](O)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000591739511 347694828 /nfs/dbraw/zinc/69/48/28/347694828.db2.gz ABLYSPHEFSOOSE-CMPLNLGQSA-N 2 0 246.420 1.030 20 0 BDADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCCCCF ZINC000308458245 347669736 /nfs/dbraw/zinc/66/97/36/347669736.db2.gz FMBDFVUGSULKIB-WDEREUQCSA-N 2 0 202.317 1.938 20 0 BDADRP C(SCC1CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC000592175444 347759049 /nfs/dbraw/zinc/75/90/49/347759049.db2.gz YAJQUSCOGJWWTG-LLVKDONJSA-N 2 0 214.378 1.329 20 0 BDADRP C[N@H+](CC1CCOCC1)C[C@@]1(C)CC[NH2+]C1 ZINC000082546003 347800636 /nfs/dbraw/zinc/80/06/36/347800636.db2.gz WPEDRHGQTYYNDK-ZDUSSCGKSA-N 2 0 226.364 1.344 20 0 BDADRP [NH3+]CCCCC(=O)NCC[NH+]1CCCCCC1 ZINC000070203110 349977296 /nfs/dbraw/zinc/97/72/96/349977296.db2.gz WHQJTXCPEHUWLP-UHFFFAOYSA-N 2 0 241.379 1.108 20 0 BDADRP CCOC(=O)CC[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000593729074 347937847 /nfs/dbraw/zinc/93/78/47/347937847.db2.gz FFQDETIWYQRYGR-RYUDHWBXSA-N 2 0 242.363 1.389 20 0 BDADRP CC1(C[NH2+]CC2([NH3+])CCOCC2)CCC1 ZINC000232858183 490114445 /nfs/dbraw/zinc/11/44/45/490114445.db2.gz IUEKVGVHEKGQBE-UHFFFAOYSA-N 2 0 212.337 1.274 20 0 BDADRP CC[C@@H](C)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000054471063 348022369 /nfs/dbraw/zinc/02/23/69/348022369.db2.gz LMYNKHGLVFFRSN-NEPJUHHUSA-N 2 0 214.353 1.079 20 0 BDADRP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CCCC[NH+](C)C ZINC000594917221 348152862 /nfs/dbraw/zinc/15/28/62/348152862.db2.gz ICMMVHMFUFHMLA-GRYCIOLGSA-N 2 0 242.363 1.115 20 0 BDADRP C(COC1CCCCC1)[NH2+]C1CC[NH2+]CC1 ZINC000082627288 348188918 /nfs/dbraw/zinc/18/89/18/348188918.db2.gz NNULZIWAEDQOLE-UHFFFAOYSA-N 2 0 226.364 1.677 20 0 BDADRP Cc1cccnc1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000228358086 179375042 /nfs/dbraw/zinc/37/50/42/179375042.db2.gz FQJFFGJVACAOKI-STQMWFEESA-N 2 0 233.359 1.949 20 0 BDADRP CCC[N@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000669381993 538001690 /nfs/dbraw/zinc/00/16/90/538001690.db2.gz CWZOHZYLUMYOSC-NWDGAFQWSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCC[NH+](C)C)[C@H](C)O1 ZINC000395014598 323185194 /nfs/dbraw/zinc/18/51/94/323185194.db2.gz NBFXKBCXZGOVLG-OUAUKWLOSA-N 2 0 200.326 1.094 20 0 BDADRP C[C@H](C[C@H](C)O)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623489138 362913278 /nfs/dbraw/zinc/91/32/78/362913278.db2.gz RQLNNGXOVSBVNX-GRYCIOLGSA-N 2 0 228.380 1.608 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](O)C2(C)C)CC1(C)C ZINC000623497131 362921056 /nfs/dbraw/zinc/92/10/56/362921056.db2.gz YEHJCAWXROBTPW-TUAOUCFPSA-N 2 0 240.391 1.608 20 0 BDADRP CCSC1(C[NH2+][C@@H](CCC[NH3+])COC)CC1 ZINC000596652962 348606873 /nfs/dbraw/zinc/60/68/73/348606873.db2.gz SBFOBLQSDYBOSS-NSHDSACASA-N 2 0 246.420 1.616 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623504349 362929062 /nfs/dbraw/zinc/92/90/62/362929062.db2.gz KLBUXXFZUJCILP-TUAOUCFPSA-N 2 0 228.380 1.872 20 0 BDADRP C[C@H]1COCCN(CC[NH2+]C(C)(C)C)C1 ZINC000399110421 323197051 /nfs/dbraw/zinc/19/70/51/323197051.db2.gz AGYDKVLOLINMAH-LLVKDONJSA-N 2 0 214.353 1.343 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1C ZINC000308861147 348908450 /nfs/dbraw/zinc/90/84/50/348908450.db2.gz PGSCAWCSSWOJDW-IJLUTSLNSA-N 2 0 214.353 1.077 20 0 BDADRP CSCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000598952588 349071529 /nfs/dbraw/zinc/07/15/29/349071529.db2.gz NKWGORCVBFUDGR-SNVBAGLBSA-N 2 0 216.394 1.812 20 0 BDADRP CCC[C@H](C)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000053486209 349065954 /nfs/dbraw/zinc/06/59/54/349065954.db2.gz ZJWIYTCTFRCBPP-QWHCGFSZSA-N 2 0 227.396 1.401 20 0 BDADRP C[N@@H+]1CCC[C@H](CN[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000250603086 349177216 /nfs/dbraw/zinc/17/72/16/349177216.db2.gz KOYWEZJWOHNORG-AGIUHOORSA-N 3 0 225.380 1.045 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]CCC[NH+](C)C)C1(C)C ZINC000082922699 349182405 /nfs/dbraw/zinc/18/24/05/349182405.db2.gz QINSXOSXGJQOBP-NWDGAFQWSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@@H]1CCC[C@@H](CN2CCN(C)C[C@H]2C[NH3+])C1 ZINC000251746308 349188621 /nfs/dbraw/zinc/18/86/21/349188621.db2.gz JNIYBUIECVTBHO-MGPQQGTHSA-N 2 0 239.407 1.387 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCOCC2)C1 ZINC000250502143 349173914 /nfs/dbraw/zinc/17/39/14/349173914.db2.gz LTIRHYOKNSVPJE-KGLIPLIRSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@H](COC)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000070658052 490232399 /nfs/dbraw/zinc/23/23/99/490232399.db2.gz VIAWHEIWCZACRD-DGCLKSJQSA-N 2 0 228.380 1.731 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623524716 362945157 /nfs/dbraw/zinc/94/51/57/362945157.db2.gz GHLHKUMZUUDDLJ-QWHCGFSZSA-N 2 0 242.407 1.713 20 0 BDADRP CO[C@@H](C)[C@@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623528398 362947411 /nfs/dbraw/zinc/94/74/11/362947411.db2.gz KLBUXXFZUJCILP-WOPDTQHZSA-N 2 0 228.380 1.872 20 0 BDADRP CCOCCC[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000131517502 191014959 /nfs/dbraw/zinc/01/49/59/191014959.db2.gz FUCIQGHWWGRXRT-CHWSQXEVSA-N 2 0 228.380 1.733 20 0 BDADRP CC[C@H](COC)[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000070656683 350039861 /nfs/dbraw/zinc/03/98/61/350039861.db2.gz WQNKMXCKBMGFDT-QWHCGFSZSA-N 2 0 228.380 1.731 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000133344109 191040264 /nfs/dbraw/zinc/04/02/64/191040264.db2.gz WITPJCBORFEEBZ-UPJWGTAASA-N 2 0 208.349 1.718 20 0 BDADRP COCC(C)(C)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427128212 191054102 /nfs/dbraw/zinc/05/41/02/191054102.db2.gz KACBPKBLXWCOPV-NWDGAFQWSA-N 2 0 226.364 1.343 20 0 BDADRP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(C[NH3+])cc1 ZINC000427312643 191058369 /nfs/dbraw/zinc/05/83/69/191058369.db2.gz HGINXKRJLBWJHS-JOYOIKCWSA-N 2 0 235.331 1.457 20 0 BDADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(C[NH3+])cc1 ZINC000427312642 191058443 /nfs/dbraw/zinc/05/84/43/191058443.db2.gz HGINXKRJLBWJHS-BXKDBHETSA-N 2 0 235.331 1.457 20 0 BDADRP Cc1ncc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000339287664 180158056 /nfs/dbraw/zinc/15/80/56/180158056.db2.gz XXWIDDNYIHWNKU-KBPBESRZSA-N 2 0 246.358 1.501 20 0 BDADRP Cc1nccc(N2CC[C@]3(C2)CCC[N@@H+](C)C3)n1 ZINC000292742052 180195019 /nfs/dbraw/zinc/19/50/19/180195019.db2.gz IWCBGQCWMCPONK-CQSZACIVSA-N 2 0 246.358 1.707 20 0 BDADRP CSC1(C[NH2+]C2CSC2)CC[NH+](C)CC1 ZINC000309248963 350234961 /nfs/dbraw/zinc/23/49/61/350234961.db2.gz ZTBTZJZRLXPRKZ-UHFFFAOYSA-N 2 0 246.445 1.519 20 0 BDADRP CCCCC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000422746798 192451543 /nfs/dbraw/zinc/45/15/43/192451543.db2.gz OHEBRSFNKYRBIC-SDDRHHMPSA-N 2 0 214.353 1.519 20 0 BDADRP Cc1nccn1CCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357089565 180239036 /nfs/dbraw/zinc/23/90/36/180239036.db2.gz QDYRXJSOPPUTPU-KBPBESRZSA-N 2 0 248.374 1.123 20 0 BDADRP [NH3+][C@@H]1CCN(Cc2cc3ccccc3o2)C1 ZINC000050227756 350315494 /nfs/dbraw/zinc/31/54/94/350315494.db2.gz FVHIBBUFFPWYEA-LLVKDONJSA-N 2 0 216.284 1.966 20 0 BDADRP C[C@@H](CCO)CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623535057 362954441 /nfs/dbraw/zinc/95/44/41/362954441.db2.gz LAPRSYQWWWNMRC-CHWSQXEVSA-N 2 0 242.407 1.857 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000565156158 323324540 /nfs/dbraw/zinc/32/45/40/323324540.db2.gz HMNCKOPSASUIBX-RFQIPJPRSA-N 2 0 242.407 1.713 20 0 BDADRP C[C@@H](CCCO)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623537068 362955480 /nfs/dbraw/zinc/95/54/80/362955480.db2.gz LZFXJRCYXWVPIZ-STQMWFEESA-N 2 0 242.407 1.857 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C)CC1 ZINC000309265658 323337098 /nfs/dbraw/zinc/33/70/98/323337098.db2.gz QBZXEXLZBSAJMX-STQMWFEESA-N 2 0 228.380 1.421 20 0 BDADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1cnccn1 ZINC000070025706 350496051 /nfs/dbraw/zinc/49/60/51/350496051.db2.gz UMNILMINJXNNTR-LLVKDONJSA-N 2 0 222.336 1.469 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCCN(C)C1)C1CCOCC1 ZINC000222588867 490647697 /nfs/dbraw/zinc/64/76/97/490647697.db2.gz CSKMSACLJVKNQS-DGCLKSJQSA-N 2 0 226.364 1.485 20 0 BDADRP CC[C@@H](O)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623553214 362974416 /nfs/dbraw/zinc/97/44/16/362974416.db2.gz KQBFZPSNKGAIAY-WDEREUQCSA-N 2 0 214.353 1.220 20 0 BDADRP CCCC[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177383384 365996624 /nfs/dbraw/zinc/99/66/24/365996624.db2.gz RGFLBJCOFJAJAA-UHFFFAOYSA-N 2 0 241.423 1.744 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cscn1 ZINC000584338992 351040002 /nfs/dbraw/zinc/04/00/02/351040002.db2.gz ZHQXPQZYCLXUPG-GJYTXDDASA-N 2 0 237.372 1.749 20 0 BDADRP COC[C@@H](C)[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000224221498 259418134 /nfs/dbraw/zinc/41/81/34/259418134.db2.gz HHTNNGLKCPWQDP-UPJWGTAASA-N 2 0 228.380 1.922 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1C[C@H]1CCCCO1 ZINC000252093430 363026573 /nfs/dbraw/zinc/02/65/73/363026573.db2.gz HLSTXJOTOCQHAY-GRYCIOLGSA-N 2 0 212.337 1.225 20 0 BDADRP C[NH2+]Cc1ccccc1NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000637807412 351644645 /nfs/dbraw/zinc/64/46/45/351644645.db2.gz HIUJSRZNYLFASY-GFCCVEGCSA-N 2 0 245.326 1.392 20 0 BDADRP CC[NH2+]CCCNC(=O)C[N@H+](C)CC(C)(C)C ZINC000637809705 351646333 /nfs/dbraw/zinc/64/63/33/351646333.db2.gz WPEDIZKCKJFBNJ-UHFFFAOYSA-N 2 0 243.395 1.080 20 0 BDADRP C[C@H](CO)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000252727650 538101020 /nfs/dbraw/zinc/10/10/20/538101020.db2.gz LMAWHYNLKLPDIC-XQQFMLRXSA-N 2 0 226.364 1.031 20 0 BDADRP CCC(CC)(C[NH3+])NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000637840277 351695591 /nfs/dbraw/zinc/69/55/91/351695591.db2.gz GARDSCBUIWMRPW-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)NC1(C[NH3+])CCCC1 ZINC000637841546 351697647 /nfs/dbraw/zinc/69/76/47/351697647.db2.gz SUPVGYZRNRXXBJ-NSHDSACASA-N 2 0 241.379 1.138 20 0 BDADRP C[C@H](C(=O)Nc1ccc([C@H](C)[NH3+])cc1)[NH+](C)C ZINC000637856402 351713946 /nfs/dbraw/zinc/71/39/46/351713946.db2.gz AQOMKTJUJYDFPE-VHSXEESVSA-N 2 0 235.331 1.595 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C[C@H](C)[NH3+])cc1 ZINC000637855749 351715123 /nfs/dbraw/zinc/71/51/23/351715123.db2.gz DUJSAAIJQNGRDU-DTWKUNHWSA-N 2 0 221.304 1.382 20 0 BDADRP C[N@H+](CCC[C@@H]1CCO1)C[C@H]1CCC[NH+](C)C1 ZINC000637930628 351807111 /nfs/dbraw/zinc/80/71/11/351807111.db2.gz QKRGUOSASIKLBA-UONOGXRCSA-N 2 0 240.391 1.829 20 0 BDADRP C[N@H+](CCC[C@@H]1CCO1)CC1CC[NH+](C)CC1 ZINC000638029656 351910340 /nfs/dbraw/zinc/91/03/40/351910340.db2.gz RJFYVOLSFONKHJ-CQSZACIVSA-N 2 0 240.391 1.829 20 0 BDADRP CC[NH2+]Cc1cccc(N[C@H]2CCC[NH2+]C2)c1 ZINC000414867999 351965897 /nfs/dbraw/zinc/96/58/97/351965897.db2.gz OEUSSGBJANIXPJ-AWEZNQCLSA-N 2 0 233.359 1.960 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](CCC[C@@H]2CCO2)C1 ZINC000638131755 352001767 /nfs/dbraw/zinc/00/17/67/352001767.db2.gz DRBJMQCOCROVAD-ZIAGYGMSSA-N 2 0 240.391 1.829 20 0 BDADRP CN(C)C[C@@H](O)C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000091334576 352069205 /nfs/dbraw/zinc/06/92/05/352069205.db2.gz MKCJKCOLYNMPFS-GJZGRUSLSA-N 2 0 248.370 1.650 20 0 BDADRP CC[C@H](C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638289084 352124660 /nfs/dbraw/zinc/12/46/60/352124660.db2.gz COWUOEINHLSKIE-NSHDSACASA-N 2 0 228.380 1.610 20 0 BDADRP CCC[C@@H](C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638297870 352129965 /nfs/dbraw/zinc/12/99/65/352129965.db2.gz CMSKGZDCIFURCB-GFCCVEGCSA-N 2 0 242.407 2.000 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@@H](C)CCCC[NH3+] ZINC000638244700 352092399 /nfs/dbraw/zinc/09/23/99/352092399.db2.gz YCEBLNSSLFHNHW-RYUDHWBXSA-N 2 0 243.395 1.384 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)NC(C)(C)CCC[NH3+] ZINC000638250898 352094485 /nfs/dbraw/zinc/09/44/85/352094485.db2.gz KVWZAXIRIGAYBW-NSHDSACASA-N 2 0 243.395 1.384 20 0 BDADRP CCOC1CC(C[NH2+]C[C@@H]2CC[N@H+](CC)C2)C1 ZINC000638381951 352193795 /nfs/dbraw/zinc/19/37/95/352193795.db2.gz RDKFPOZPNKTARD-HSBZDZAISA-N 2 0 240.391 1.733 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000638396224 352203070 /nfs/dbraw/zinc/20/30/70/352203070.db2.gz JEJDSWWIDASWKN-TUAOUCFPSA-N 2 0 241.379 1.088 20 0 BDADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CC2(C)C)CC1 ZINC000638408486 352214075 /nfs/dbraw/zinc/21/40/75/352214075.db2.gz ZBOKGKCTOCEZPA-GFCCVEGCSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)[C@@H]1CC1(F)F ZINC000638412604 352223033 /nfs/dbraw/zinc/22/30/33/352223033.db2.gz QFOONTCYBSQGME-DCAQKATOSA-N 2 0 248.317 1.076 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCC2(O)CCC2)C1 ZINC000411115904 191160412 /nfs/dbraw/zinc/16/04/12/191160412.db2.gz JFTZSLIHYKPYPK-ZDUSSCGKSA-N 2 0 240.391 1.565 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@H]1CCCCO1 ZINC000252157887 363181467 /nfs/dbraw/zinc/18/14/67/363181467.db2.gz PKPAUSDVZPNXOB-GRYCIOLGSA-N 2 0 212.337 1.367 20 0 BDADRP CCCC[C@H](COC)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414947270 352370677 /nfs/dbraw/zinc/37/06/77/352370677.db2.gz KOHOEHRTUUUUGX-JHJVBQTASA-N 2 0 228.380 1.922 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1CC1(F)F ZINC000638566107 352391912 /nfs/dbraw/zinc/39/19/12/352391912.db2.gz AEVFHIONJDOJLJ-ONGXEEELSA-N 2 0 232.318 1.962 20 0 BDADRP CCN(CC[NH3+])C(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000638523005 352357205 /nfs/dbraw/zinc/35/72/05/352357205.db2.gz YURKGXAVOJXXGV-YPMHNXCESA-N 2 0 249.358 1.130 20 0 BDADRP CCN(CC[NH3+])C(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000638523002 352357425 /nfs/dbraw/zinc/35/74/25/352357425.db2.gz YURKGXAVOJXXGV-AAEUAGOBSA-N 2 0 249.358 1.130 20 0 BDADRP Cc1nn(C)cc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414980028 352417236 /nfs/dbraw/zinc/41/72/36/352417236.db2.gz WCYBXXJOISPAIU-CYBMUJFWSA-N 2 0 236.363 1.350 20 0 BDADRP C[N@@H+]1CCC[C@H](CNCc2cc(C3CC3)no2)C1 ZINC000638587556 352419187 /nfs/dbraw/zinc/41/91/87/352419187.db2.gz FNTBHCLBPUXWHL-LLVKDONJSA-N 2 0 249.358 1.983 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH2+]C2CC(n3cccn3)C2)C1 ZINC000638589377 352420693 /nfs/dbraw/zinc/42/06/93/352420693.db2.gz TVTBPWSBDYHBBZ-HSBZDZAISA-N 2 0 248.374 1.518 20 0 BDADRP C[C@@H](Cc1cnccn1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000638589375 352420983 /nfs/dbraw/zinc/42/09/83/352420983.db2.gz TVOPCWFJASOHMK-STQMWFEESA-N 2 0 248.374 1.339 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)CS1 ZINC000252162580 363187666 /nfs/dbraw/zinc/18/76/66/363187666.db2.gz QALNUVGOHTWSRJ-IJLUTSLNSA-N 2 0 228.405 1.812 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]([NH3+])CCC(C)C ZINC000638577023 352407660 /nfs/dbraw/zinc/40/76/60/352407660.db2.gz VOXNFMBFWBDBEX-GRYCIOLGSA-N 2 0 241.379 1.007 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCC[C@H]2CCO2)CC[N@@H+]1C ZINC000638706031 352544557 /nfs/dbraw/zinc/54/45/57/352544557.db2.gz DJZGMKBRCYNMNE-UPJWGTAASA-N 2 0 226.364 1.628 20 0 BDADRP C[C@@H]1CC[C@H](NC(=O)c2ccc(C[NH3+])cc2)C[NH2+]1 ZINC000638656573 352497304 /nfs/dbraw/zinc/49/73/04/352497304.db2.gz TYKCFRQISPNERW-MFKMUULPSA-N 2 0 247.342 1.016 20 0 BDADRP CC(C)[NH+]1CCC(N2CCC[C@@H]([NH3+])C2)CC1 ZINC000041027576 187774760 /nfs/dbraw/zinc/77/47/60/187774760.db2.gz DSBIOUBAKNASOY-GFCCVEGCSA-N 2 0 225.380 1.282 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000043427976 352637373 /nfs/dbraw/zinc/63/73/73/352637373.db2.gz NSKJYGFQPCMRSK-CHWSQXEVSA-N 2 0 224.348 1.239 20 0 BDADRP CC(C)[C@@](C)(O)C[NH2+][C@H](C)CCCC[NH3+] ZINC000308959855 187818625 /nfs/dbraw/zinc/81/86/25/187818625.db2.gz FRJLZIAYEYBEKR-NEPJUHHUSA-N 2 0 216.369 1.501 20 0 BDADRP C[C@H]1CN(C)C[C@@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000334177197 352762623 /nfs/dbraw/zinc/76/26/23/352762623.db2.gz DHYVRMNFVLEIOD-STQMWFEESA-N 2 0 239.407 1.258 20 0 BDADRP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)C1CCOCC1 ZINC000422816313 192477846 /nfs/dbraw/zinc/47/78/46/192477846.db2.gz ZLQZQZPMFRMQSN-XBFCOCLRSA-N 2 0 240.391 1.922 20 0 BDADRP CCC[NH2+][C@@H](C)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638818946 352999744 /nfs/dbraw/zinc/99/97/44/352999744.db2.gz GKSKLPUIFLAAHO-RYUDHWBXSA-N 2 0 241.379 1.104 20 0 BDADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)C(C)(C)C ZINC000336759168 353168711 /nfs/dbraw/zinc/16/87/11/353168711.db2.gz ZYVSMKIMLNYMHZ-NSHDSACASA-N 2 0 228.380 1.467 20 0 BDADRP CCC1([NH+](C)C)CCN(C(=O)C[C@@H](C)[NH3+])CC1 ZINC000638974624 353179984 /nfs/dbraw/zinc/17/99/84/353179984.db2.gz BCIWPEHYTIKVKM-LLVKDONJSA-N 2 0 241.379 1.057 20 0 BDADRP CC[NH+]1CCC(N(C)C(=O)CC[C@@H](C)[NH3+])CC1 ZINC000070314966 353258768 /nfs/dbraw/zinc/25/87/68/353258768.db2.gz WVIQOCMMPGTECD-LLVKDONJSA-N 2 0 241.379 1.057 20 0 BDADRP Cn1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000252894387 353313258 /nfs/dbraw/zinc/31/32/58/353313258.db2.gz VMBUOZAZTIEESU-YPMHNXCESA-N 2 0 234.347 1.137 20 0 BDADRP C[C@@H]([NH3+])CC(=O)N1CC[C@H](C[NH3+])c2ccccc21 ZINC000639069569 353382915 /nfs/dbraw/zinc/38/29/15/353382915.db2.gz XLHOKVKJOZDHAY-GHMZBOCLSA-N 2 0 247.342 1.203 20 0 BDADRP c1cn(CCC[N@@H+]2CCC[C@H]3COCC[C@H]32)cn1 ZINC000343313277 353625774 /nfs/dbraw/zinc/62/57/74/353625774.db2.gz GXUFDGBSEWWVBL-UONOGXRCSA-N 2 0 249.358 1.774 20 0 BDADRP C[C@H](CCCO)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000227538413 363239743 /nfs/dbraw/zinc/23/97/43/363239743.db2.gz WEALGBUWPDUOEY-GMTAPVOTSA-N 2 0 200.326 1.007 20 0 BDADRP Cc1nc(CN(C)[C@H]2CCC[NH2+]CC2)oc1C ZINC000231670639 353642515 /nfs/dbraw/zinc/64/25/15/353642515.db2.gz GHFGPYRYFFHLET-LBPRGKRZSA-N 2 0 237.347 1.865 20 0 BDADRP CC(C)COCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000232661136 353752619 /nfs/dbraw/zinc/75/26/19/353752619.db2.gz KYZHLJMLJQLVOZ-CHWSQXEVSA-N 2 0 228.380 1.718 20 0 BDADRP C[C@H](CN[C@@H]1C[N@H+](C)C[C@@H]1C)C[NH+]1CCCC1 ZINC000343331324 353738604 /nfs/dbraw/zinc/73/86/04/353738604.db2.gz JALPIAKCJHIZNN-HZSPNIEDSA-N 2 0 239.407 1.258 20 0 BDADRP COCc1cccc(C[NH2+][C@H]2CN(C)C[C@H]2C)c1 ZINC000343585020 353940406 /nfs/dbraw/zinc/94/04/06/353940406.db2.gz CUAUNMQRAUSSKZ-DOMZBBRYSA-N 2 0 248.370 1.873 20 0 BDADRP CCCC[N@H+](C)C[C@H](C)N[C@@H]1C[NH+](C)C[C@H]1C ZINC000343987611 354061412 /nfs/dbraw/zinc/06/14/12/354061412.db2.gz OCQQGRMSXLJXLU-HZSPNIEDSA-N 2 0 241.423 1.647 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+]C1CC[NH2+]CC1 ZINC000230497884 363312589 /nfs/dbraw/zinc/31/25/89/363312589.db2.gz IMGKUXCEEGBIQU-GFCCVEGCSA-N 2 0 214.353 1.125 20 0 BDADRP CC(C)[NH+](CCNC(=O)[C@H](C)[C@@H](C)[NH3+])C(C)C ZINC000133627956 188581329 /nfs/dbraw/zinc/58/13/29/188581329.db2.gz VIFNAYNYZNKFMB-VXGBXAGGSA-N 2 0 243.395 1.205 20 0 BDADRP CCC[NH2+][C@@H](C)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000449681183 202000332 /nfs/dbraw/zinc/00/03/32/202000332.db2.gz IGLJXHSZRMOYGW-RYUDHWBXSA-N 2 0 241.379 1.023 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000577960584 366144682 /nfs/dbraw/zinc/14/46/82/366144682.db2.gz MHCVXRKLEAIUSW-UPJWGTAASA-N 3 0 225.380 1.188 20 0 BDADRP CC(C)[NH+]1CCC(O)(C[NH2+]CC(C)(C)C)CC1 ZINC000344637635 354318898 /nfs/dbraw/zinc/31/88/98/354318898.db2.gz IBDFVJYMVFWCBE-UHFFFAOYSA-N 2 0 242.407 1.857 20 0 BDADRP COC1(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)CCC1 ZINC000227492803 491061877 /nfs/dbraw/zinc/06/18/77/491061877.db2.gz GRHAREBNRBIDFK-LBPRGKRZSA-N 2 0 240.391 1.875 20 0 BDADRP C/C=C\C[C@H](CO)[NH2+]C1CC[NH+](CCC)CC1 ZINC000349432230 366194631 /nfs/dbraw/zinc/19/46/31/366194631.db2.gz XZBALQYXSSJIIY-PKXJPQMGSA-N 2 0 240.391 1.778 20 0 BDADRP CCc1cc(N[C@H]2CCn3ccnc3C2)cc[nH+]1 ZINC000334648996 354440173 /nfs/dbraw/zinc/44/01/73/354440173.db2.gz QKEWFMBFLCJLGR-ZDUSSCGKSA-N 2 0 242.326 1.689 20 0 BDADRP CC[C@@H]1C[C@H](C[NH+]2CCC([NH3+])CC2)CCO1 ZINC000334688985 354477498 /nfs/dbraw/zinc/47/74/98/354477498.db2.gz OEQXEXVNPYHGAV-DGCLKSJQSA-N 2 0 226.364 1.615 20 0 BDADRP Nc1cccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000334649752 354441683 /nfs/dbraw/zinc/44/16/83/354441683.db2.gz VWFJYZUBXOJCRA-AWEZNQCLSA-N 2 0 231.343 1.454 20 0 BDADRP Cc1cc(C)c(C[NH2+][C@H]2CN(C)C[C@@H]2C)cn1 ZINC000334739346 354542181 /nfs/dbraw/zinc/54/21/81/354542181.db2.gz SRQHSGDUQYVPJB-FZMZJTMJSA-N 2 0 233.359 1.738 20 0 BDADRP CC(C)COCC[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000232663429 363378454 /nfs/dbraw/zinc/37/84/54/363378454.db2.gz VPKADOPRQYSFJP-GFCCVEGCSA-N 2 0 214.353 1.330 20 0 BDADRP [NH3+]C1CCC([NH2+][C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000335137692 354788532 /nfs/dbraw/zinc/78/85/32/354788532.db2.gz NIBXWQGXWYJRRC-TUUUFIMRSA-N 3 0 225.380 1.506 20 0 BDADRP CC(C)OCC[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000232701954 363379949 /nfs/dbraw/zinc/37/99/49/363379949.db2.gz RZCAMRWRKDHEBW-NSHDSACASA-N 2 0 200.326 1.082 20 0 BDADRP CC(C)[N@H+](C[C@H](C)O)C[C@H]1CCC[NH2+]C1 ZINC000232754686 363382296 /nfs/dbraw/zinc/38/22/96/363382296.db2.gz ZEILZACDJMXSQA-RYUDHWBXSA-N 2 0 214.353 1.077 20 0 BDADRP C[C@H](C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O)Cc1ccccc1 ZINC000346005437 354837774 /nfs/dbraw/zinc/83/77/74/354837774.db2.gz GHZFTUQTETXHQV-QEJZJMRPSA-N 2 0 248.370 1.035 20 0 BDADRP Cc1nc(C)c(C[NH2+][C@@H](C)CC[NH3+])s1 ZINC000235088774 363436600 /nfs/dbraw/zinc/43/66/00/363436600.db2.gz MGKACFKGSAGNTQ-ZETCQYMHSA-N 2 0 213.350 1.587 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000530220019 324537868 /nfs/dbraw/zinc/53/78/68/324537868.db2.gz AYDQNHJYUZHNFU-URIQBSJHSA-N 2 0 214.353 1.514 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCn2ccnc2C1)c1ccccn1 ZINC000335199595 355032952 /nfs/dbraw/zinc/03/29/52/355032952.db2.gz IAFIZVQNFVFKBE-VXGBXAGGSA-N 2 0 242.326 1.944 20 0 BDADRP C[C@@H]([NH3+])c1ccc(N[C@H]2CC[NH2+]C2)cc1 ZINC000335182590 355080370 /nfs/dbraw/zinc/08/03/70/355080370.db2.gz WQAWVFGTZZNICZ-SKDRFNHKSA-N 2 0 205.305 1.480 20 0 BDADRP CCn1cncc1CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000335182443 355080606 /nfs/dbraw/zinc/08/06/06/355080606.db2.gz TUMNLIXBOJCQKA-OLZOCXBDSA-N 2 0 248.374 1.572 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C2CCC(C[NH3+])CC2)CCN1C ZINC000335218943 355057902 /nfs/dbraw/zinc/05/79/02/355057902.db2.gz RLWNHFLSUAENOE-BLYZHGLHSA-N 3 0 239.407 1.576 20 0 BDADRP C[NH+](C)CCC1CCN(CC(C)(C)[NH3+])CC1 ZINC000346831591 355129408 /nfs/dbraw/zinc/12/94/08/355129408.db2.gz QFSFMASYPLQCAB-UHFFFAOYSA-N 2 0 227.396 1.387 20 0 BDADRP CCCCC[N@H+](CCO)C[C@@H]1CCC[NH2+]C1 ZINC000346848985 355137633 /nfs/dbraw/zinc/13/76/33/355137633.db2.gz GBQHZTHWUJQTDK-CYBMUJFWSA-N 2 0 228.380 1.471 20 0 BDADRP C[N@H+](CC1CC[NH2+]CC1)[C@H](CO)C(C)(C)C ZINC000346985371 355186090 /nfs/dbraw/zinc/18/60/90/355186090.db2.gz PGTOWIVDQOZENW-GFCCVEGCSA-N 2 0 228.380 1.325 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)C2([NH3+])CCCC2)cc1 ZINC000335290585 355264585 /nfs/dbraw/zinc/26/45/85/355264585.db2.gz GMHFMQMHMJZKGC-JTQLQIEISA-N 2 0 247.342 1.916 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C2([NH3+])CCCC2)cc1 ZINC000335290586 355264624 /nfs/dbraw/zinc/26/46/24/355264624.db2.gz GMHFMQMHMJZKGC-SNVBAGLBSA-N 2 0 247.342 1.916 20 0 BDADRP CO[C@@H](C[NH2+]Cc1ccc2c[nH+]cn2c1)C1CC1 ZINC000639257427 355302565 /nfs/dbraw/zinc/30/25/65/355302565.db2.gz UCFWOMDKEMBXPC-AWEZNQCLSA-N 2 0 245.326 1.849 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+]CCC[C@H]2CCO2)C1 ZINC000639257308 355302837 /nfs/dbraw/zinc/30/28/37/355302837.db2.gz LVWDPJBLTOUEHB-KGLIPLIRSA-N 2 0 240.391 1.877 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H](O)C2)CC1(C)C ZINC000623749098 355320231 /nfs/dbraw/zinc/32/02/31/355320231.db2.gz VDNAIYLQWCFVNO-SDDRHHMPSA-N 2 0 226.364 1.220 20 0 BDADRP NC(=[NH2+])NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000263967943 181189351 /nfs/dbraw/zinc/18/93/51/181189351.db2.gz MUNYPVGRTBGEST-CYBMUJFWSA-N 2 0 246.358 1.034 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCO[C@H](C)C1 ZINC000388942668 355372405 /nfs/dbraw/zinc/37/24/05/355372405.db2.gz SGXHKQYYXNGISQ-UPJWGTAASA-N 2 0 228.380 1.909 20 0 BDADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCO[C@@H]1C ZINC000349725945 355420528 /nfs/dbraw/zinc/42/05/28/355420528.db2.gz YZVBMBUYHXMBJC-OLZOCXBDSA-N 2 0 244.379 1.112 20 0 BDADRP Cc1n[nH]c(C)c1C[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000414989933 191642688 /nfs/dbraw/zinc/64/26/88/191642688.db2.gz HYNYKUVFMXFHEA-RYUDHWBXSA-N 2 0 236.363 1.634 20 0 BDADRP CC(C)[C@H]1C[C@H]([NH2+][C@H](C)CCC[NH3+])CCO1 ZINC000415017710 191653388 /nfs/dbraw/zinc/65/33/88/191653388.db2.gz FTIGJMVFUNNIQL-JHJVBQTASA-N 2 0 228.380 1.907 20 0 BDADRP COc1cccc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c1 ZINC000415051406 191654360 /nfs/dbraw/zinc/65/43/60/191654360.db2.gz ZKKZLJWROVRADV-WCQYABFASA-N 2 0 234.343 1.912 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+]C2CCN(C)CC2)C[C@H](C)O1 ZINC000335819083 355510571 /nfs/dbraw/zinc/51/05/71/355510571.db2.gz HETVTODWTWSVTE-CLLJXQQHSA-N 2 0 240.391 1.874 20 0 BDADRP C[NH+](C)C1CCN(CC[NH2+]CC(C)(C)C)CC1 ZINC000674044609 491081007 /nfs/dbraw/zinc/08/10/07/491081007.db2.gz CTIIEZKKWOSJAF-UHFFFAOYSA-N 2 0 241.423 1.648 20 0 BDADRP Cc1cc(N)cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000414957458 191633149 /nfs/dbraw/zinc/63/31/49/191633149.db2.gz BODBQTZXHGKWQB-GFCCVEGCSA-N 2 0 233.359 1.666 20 0 BDADRP COc1ccccc1C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415031916 191657960 /nfs/dbraw/zinc/65/79/60/191657960.db2.gz HKEXERUQURGRRY-DGCLKSJQSA-N 2 0 234.343 1.912 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+]CCC[NH2+]C2CC2)CC[NH2+]1 ZINC000415067345 191666329 /nfs/dbraw/zinc/66/63/29/191666329.db2.gz KRNROWAETFWZKL-NEPJUHHUSA-N 3 0 225.380 1.106 20 0 BDADRP c1cn2c(n1)C[C@H]([NH2+]Cc1ccccn1)CC2 ZINC000335877074 355647694 /nfs/dbraw/zinc/64/76/94/355647694.db2.gz SROVFEBDGIHPGP-LLVKDONJSA-N 2 0 228.299 1.383 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CS1 ZINC000639308147 355663147 /nfs/dbraw/zinc/66/31/47/355663147.db2.gz BZGJUTKEXUPXEE-KKOKHZNYSA-N 2 0 228.405 1.810 20 0 BDADRP CN1CC(C[N@H+](C)CCC2CCOCC2)C1 ZINC000639310497 355670028 /nfs/dbraw/zinc/67/00/28/355670028.db2.gz SKKMFJGEVZPUBI-UHFFFAOYSA-N 2 0 226.364 1.297 20 0 BDADRP O[C@H]1CCN(CC[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000639356356 355810770 /nfs/dbraw/zinc/81/07/70/355810770.db2.gz CLAOQJJYQSAHHJ-MQYQWHSLSA-N 2 0 238.375 1.079 20 0 BDADRP CC(C)(O)CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000261547612 535292902 /nfs/dbraw/zinc/29/29/02/535292902.db2.gz IGBCSPZRKBMWGM-YNEHKIRRSA-N 2 0 240.391 1.658 20 0 BDADRP C1C[C@H]2C[C@H]([NH2+][C@H]3CCCOC3)CC[N@@H+]2C1 ZINC000381178091 355934935 /nfs/dbraw/zinc/93/49/35/355934935.db2.gz VPEYVKXRBBRSTR-AGIUHOORSA-N 2 0 224.348 1.382 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCOC2)[C@H](C)C1 ZINC000167410369 355992690 /nfs/dbraw/zinc/99/26/90/355992690.db2.gz IQCAWIRCGCJZGF-UPJWGTAASA-N 2 0 226.364 1.485 20 0 BDADRP CCOC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000166961271 355945340 /nfs/dbraw/zinc/94/53/40/355945340.db2.gz SPPSXPBPGVCRJS-VXGBXAGGSA-N 2 0 228.380 1.874 20 0 BDADRP C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000584349928 356061590 /nfs/dbraw/zinc/06/15/90/356061590.db2.gz BKEUAAKPPFVNIW-BXKDBHETSA-N 2 0 233.315 1.082 20 0 BDADRP CC(C)[C@@H]1C[N@H+](C)CCN1Cc1nccn1C ZINC000335919064 356165970 /nfs/dbraw/zinc/16/59/70/356165970.db2.gz JAXGPMZEOIXCBS-LBPRGKRZSA-N 2 0 236.363 1.192 20 0 BDADRP CSC1(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)CC1 ZINC000336117790 134089196 /nfs/dbraw/zinc/08/91/96/134089196.db2.gz SZVOSIOZXIVMAJ-LBPRGKRZSA-N 2 0 240.416 1.910 20 0 BDADRP CC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000639458817 356245902 /nfs/dbraw/zinc/24/59/02/356245902.db2.gz ZJLYYBQRCLWFJE-UHFFFAOYSA-N 2 0 212.337 1.239 20 0 BDADRP NC[C@@H]1CCCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420299509 192207435 /nfs/dbraw/zinc/20/74/35/192207435.db2.gz UANZHLUBCWPMHC-OLZOCXBDSA-N 2 0 225.380 1.189 20 0 BDADRP CCOC(=O)CCCC[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000420299777 192206899 /nfs/dbraw/zinc/20/68/99/192206899.db2.gz UKFXFTNPMFTOQU-NSHDSACASA-N 2 0 228.336 1.000 20 0 BDADRP COC(=O)CC1(C[NH+]2CCC(C[NH3+])CC2)CC1 ZINC000420274487 192196717 /nfs/dbraw/zinc/19/67/17/192196717.db2.gz OSLQEIDXOXYQJN-UHFFFAOYSA-N 2 0 240.347 1.000 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000639488500 356305559 /nfs/dbraw/zinc/30/55/59/356305559.db2.gz IRYRKECHTPVNMX-RWMBFGLXSA-N 2 0 226.364 1.295 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420284900 192199255 /nfs/dbraw/zinc/19/92/55/192199255.db2.gz DBQHRHWNAQKCHL-CHWSQXEVSA-N 3 0 239.407 1.435 20 0 BDADRP C[C@](CN)([NH2+]CC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000420282699 192200006 /nfs/dbraw/zinc/20/00/06/192200006.db2.gz BDVGCFPOLCVJQX-DGCLKSJQSA-N 2 0 225.380 1.093 20 0 BDADRP COc1ccccc1CCC[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000420287969 192200850 /nfs/dbraw/zinc/20/08/50/192200850.db2.gz GUOBEFYFRBLWKG-ZDUSSCGKSA-N 2 0 248.370 1.908 20 0 BDADRP C[NH2+]C[C@H]1CCCN1CC[C@H]1CCC[NH2+]C1 ZINC000420294091 192203341 /nfs/dbraw/zinc/20/33/41/192203341.db2.gz SJAVCXBYSONOMI-CHWSQXEVSA-N 2 0 225.380 1.060 20 0 BDADRP Nc1cc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)ccn1 ZINC000420315982 192213047 /nfs/dbraw/zinc/21/30/47/192213047.db2.gz SLOSGRWSZBTSPN-LLVKDONJSA-N 2 0 234.347 1.055 20 0 BDADRP Cc1nccn1CCC[N@@H+](C)C1(CN)CCC1 ZINC000420330570 192213740 /nfs/dbraw/zinc/21/37/40/192213740.db2.gz QEHNNTZTYIAFDD-UHFFFAOYSA-N 2 0 236.363 1.395 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)[C@H](CN)C1 ZINC000420339703 192216747 /nfs/dbraw/zinc/21/67/47/192216747.db2.gz OVQAGXZEZBDVRJ-AGIUHOORSA-N 2 0 225.380 1.045 20 0 BDADRP CCC[N@H+](CC)CCN[C@H]1CCC[C@H]1C[NH3+] ZINC000261535425 535301519 /nfs/dbraw/zinc/30/15/19/535301519.db2.gz YMMNEKXDEXDPPE-STQMWFEESA-N 2 0 227.396 1.435 20 0 BDADRP Cc1ccccc1CCC[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420349603 192218323 /nfs/dbraw/zinc/21/83/23/192218323.db2.gz DHWKVIJJPSERBJ-AWEZNQCLSA-N 2 0 236.359 1.179 20 0 BDADRP C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]CCC[NH3+])C1 ZINC000420303957 192207641 /nfs/dbraw/zinc/20/76/41/192207641.db2.gz OBIHMFYHNOWPRJ-AAEUAGOBSA-N 2 0 228.380 1.502 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420307692 192208279 /nfs/dbraw/zinc/20/82/79/192208279.db2.gz CBFNVCBNTWJDBU-CHWSQXEVSA-N 3 0 225.380 1.047 20 0 BDADRP CC[N@H+](CCCF)[C@@H]1CCC[NH2+]CC1 ZINC000420306437 192208665 /nfs/dbraw/zinc/20/86/65/192208665.db2.gz HLMOXKJSMCBRJP-LLVKDONJSA-N 2 0 202.317 1.810 20 0 BDADRP CCOC(=O)CCCC[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000420305726 192209512 /nfs/dbraw/zinc/20/95/12/192209512.db2.gz ZEXNNTJCIXGLKW-LBPRGKRZSA-N 2 0 242.363 1.261 20 0 BDADRP C[C@@]1(C[NH3+])CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420307695 192209575 /nfs/dbraw/zinc/20/95/75/192209575.db2.gz CBFNVCBNTWJDBU-STQMWFEESA-N 3 0 225.380 1.047 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000420312245 192210962 /nfs/dbraw/zinc/21/09/62/192210962.db2.gz SAMJPXJGOSSMCK-KGLIPLIRSA-N 2 0 239.407 1.532 20 0 BDADRP Nc1cc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])ccn1 ZINC000420313443 192212505 /nfs/dbraw/zinc/21/25/05/192212505.db2.gz JYDBCIGGKASKJD-GFCCVEGCSA-N 2 0 234.347 1.197 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC[C@H]2CCCCO2)C1 ZINC000420314644 192212648 /nfs/dbraw/zinc/21/26/48/192212648.db2.gz VZJKYLMENZVUMB-YNEHKIRRSA-N 2 0 226.364 1.615 20 0 BDADRP CCN1C[C@H](C)[N@H+](CC[C@H]2CC[NH2+]C2)C[C@@H]1C ZINC000420366401 192226223 /nfs/dbraw/zinc/22/62/23/192226223.db2.gz ULPIZEQUXZINPV-MELADBBJSA-N 2 0 239.407 1.401 20 0 BDADRP COC(=O)[C@@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420370777 192227241 /nfs/dbraw/zinc/22/72/41/192227241.db2.gz ZDPCOMSXNXKAMS-RYUDHWBXSA-N 2 0 240.347 1.014 20 0 BDADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420322229 192227394 /nfs/dbraw/zinc/22/73/94/192227394.db2.gz WJJRFSVVLZDJST-CHWSQXEVSA-N 3 0 225.380 1.189 20 0 BDADRP C(C[N@@H+]1CCOC[C@@H]1C1CC1)[C@H]1CC[NH2+]C1 ZINC000420370269 192227574 /nfs/dbraw/zinc/22/75/74/192227574.db2.gz YVVOSYSSFMQHAY-DGCLKSJQSA-N 2 0 224.348 1.097 20 0 BDADRP CC(C)[N@H+](CCN1CC[NH2+]CC1)C1CCCC1 ZINC000420323405 192227670 /nfs/dbraw/zinc/22/76/70/192227670.db2.gz UDLNWVOQRLHRAL-UHFFFAOYSA-N 2 0 239.407 1.545 20 0 BDADRP CC(C)COCC[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000420322276 192228586 /nfs/dbraw/zinc/22/85/86/192228586.db2.gz SIFRMTIAPGVUDA-LBPRGKRZSA-N 2 0 216.369 1.622 20 0 BDADRP CC[NH+](CC)CCCN1C[C@H](C[NH3+])C[C@@H]1C ZINC000420324263 192229011 /nfs/dbraw/zinc/22/90/11/192229011.db2.gz UWAVRTFWRIBUHO-STQMWFEESA-N 2 0 227.396 1.387 20 0 BDADRP COCC1(C)CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420364091 192224366 /nfs/dbraw/zinc/22/43/66/192224366.db2.gz CMVSDTPPGBVZBH-ZDUSSCGKSA-N 2 0 240.391 1.735 20 0 BDADRP NC[C@@H]([NH2+]C[C@@H]1CCOC1)C1CCCCC1 ZINC000420364323 192224382 /nfs/dbraw/zinc/22/43/82/192224382.db2.gz KHCFUTUCMSYLRH-WCQYABFASA-N 2 0 226.364 1.520 20 0 BDADRP CC[NH+](CC)CCCN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420394011 192236798 /nfs/dbraw/zinc/23/67/98/192236798.db2.gz CHPMIDZHIBXKEP-UONOGXRCSA-N 2 0 241.423 1.635 20 0 BDADRP C[C@H]([NH2+]CCOCC[NH3+])C1CCCC1 ZINC000420396507 192237006 /nfs/dbraw/zinc/23/70/06/192237006.db2.gz FJTYAAROYUCDLQ-JTQLQIEISA-N 2 0 200.326 1.130 20 0 BDADRP C[C@H]([NH3+])C[NH2+][C@@H](C)[C@@H]1COc2ccccc21 ZINC000420401889 192238127 /nfs/dbraw/zinc/23/81/27/192238127.db2.gz JRIPUHHMPWYXPX-NHCYSSNCSA-N 2 0 220.316 1.488 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@H]2CCCCO2)C[C@@H]1C[NH3+] ZINC000420411538 192239105 /nfs/dbraw/zinc/23/91/05/192239105.db2.gz RVFANXZISXYXND-HZSPNIEDSA-N 2 0 240.391 1.862 20 0 BDADRP C[C@H]1CC[N@H+](CCC2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000420405393 192239250 /nfs/dbraw/zinc/23/92/50/192239250.db2.gz MTHYODRXRPYFTF-JSGCOSHPSA-N 3 0 239.407 1.293 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)[C@H]1CCCOC1 ZINC000420414072 192240529 /nfs/dbraw/zinc/24/05/29/192240529.db2.gz UGXDEWPLUVGMDG-MJBXVCDLSA-N 2 0 240.391 1.781 20 0 BDADRP c1c[nH]c([C@@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)n1 ZINC000420376705 192231258 /nfs/dbraw/zinc/23/12/58/192231258.db2.gz QZEZZNFWDSGFKE-NEPJUHHUSA-N 2 0 234.347 1.546 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](CO)C1 ZINC000049474452 356458444 /nfs/dbraw/zinc/45/84/44/356458444.db2.gz GGLDSPQNIZVQTP-GFCCVEGCSA-N 2 0 214.353 1.033 20 0 BDADRP CC(=O)CN1CCC(Nc2ccccn2)CC1 ZINC000639556417 356459032 /nfs/dbraw/zinc/45/90/32/356459032.db2.gz WAWYDSGHALMJPT-UHFFFAOYSA-N 2 0 233.315 1.547 20 0 BDADRP Cn1cncc1CC[N@H+](C)[C@H]1CCCOC1 ZINC000639638005 356551681 /nfs/dbraw/zinc/55/16/81/356551681.db2.gz NEUZBSFVXOSIAO-LBPRGKRZSA-N 2 0 223.320 1.073 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCN(c2ccccn2)C1 ZINC000422967270 192529393 /nfs/dbraw/zinc/52/93/93/192529393.db2.gz OUJNNGONTXDZBO-QWHCGFSZSA-N 2 0 248.374 1.377 20 0 BDADRP [NH3+]CC1CCC([NH2+]CC2(O)CCC2)CC1 ZINC000422973571 192532400 /nfs/dbraw/zinc/53/24/00/192532400.db2.gz CCKSUNPMFSABKL-UHFFFAOYSA-N 2 0 212.337 1.009 20 0 BDADRP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422975463 192533953 /nfs/dbraw/zinc/53/39/53/192533953.db2.gz GUPLPVVXPSDNHT-NNYUYHANSA-N 2 0 246.420 1.077 20 0 BDADRP COC[C@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc(C)o1 ZINC000423005887 192534880 /nfs/dbraw/zinc/53/48/80/192534880.db2.gz NLXKHBJQFBZIOP-JQWIXIFHSA-N 2 0 240.347 1.993 20 0 BDADRP CC(C)[C@@H](O)C1(C[NH2+][C@@H](C)CCCC[NH3+])CC1 ZINC000423020101 192541824 /nfs/dbraw/zinc/54/18/24/192541824.db2.gz YSYHMYGRVROETC-QWHCGFSZSA-N 2 0 242.407 1.891 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000423067752 192557241 /nfs/dbraw/zinc/55/72/41/192557241.db2.gz IHVLLOKAJCENAN-AXFHLTTASA-N 2 0 200.326 1.142 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(CO)CCCC1 ZINC000423051717 192552725 /nfs/dbraw/zinc/55/27/25/192552725.db2.gz OEBRJGXECZBKHZ-CHWSQXEVSA-N 2 0 240.391 1.517 20 0 BDADRP CC(C)SCC[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423104538 192569601 /nfs/dbraw/zinc/56/96/01/192569601.db2.gz HDYQUCHWUFYREU-NXEZZACHSA-N 2 0 204.383 1.843 20 0 BDADRP CC[C@@H](O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639754660 356657041 /nfs/dbraw/zinc/65/70/41/356657041.db2.gz DGWJVXOTIJFQEY-GFCCVEGCSA-N 2 0 226.364 1.175 20 0 BDADRP COCC1(CC[NH2+][C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000582241703 356671538 /nfs/dbraw/zinc/67/15/38/356671538.db2.gz GGPULAIPTWBQRL-QWRGUYRKSA-N 2 0 212.337 1.273 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H](CO)CC1CCC1 ZINC000423130623 192578849 /nfs/dbraw/zinc/57/88/49/192578849.db2.gz MZNBIUXFMOKRCT-PWSUYJOCSA-N 2 0 214.353 1.255 20 0 BDADRP C[C@H]1CC[N@H+](CCC(F)(F)F)C[C@@H]1C[NH3+] ZINC000167660111 134153965 /nfs/dbraw/zinc/15/39/65/134153965.db2.gz MQEDHQMIFYPCHP-IUCAKERBSA-N 2 0 224.270 1.856 20 0 BDADRP COc1ncccc1CC[NH2+][C@@H](C)CCC[NH3+] ZINC000423137189 192583065 /nfs/dbraw/zinc/58/30/65/192583065.db2.gz HXZVKYMDJWFGNF-NSHDSACASA-N 2 0 237.347 1.350 20 0 BDADRP CCC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000450402268 202156160 /nfs/dbraw/zinc/15/61/60/202156160.db2.gz KQJNNGFGAXAYCL-RYUDHWBXSA-N 2 0 214.353 1.031 20 0 BDADRP CCC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000450431566 202164305 /nfs/dbraw/zinc/16/43/05/202164305.db2.gz ZZIFKBORNBKRET-UONOGXRCSA-N 2 0 240.391 1.565 20 0 BDADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@H](C)C2C[NH2+]C2)CCO1 ZINC000423158134 192595447 /nfs/dbraw/zinc/59/54/47/192595447.db2.gz WJTCOUSWYSMCOB-BZPMIXESSA-N 2 0 240.391 1.635 20 0 BDADRP CC1(C)CC[C@H](C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)O1 ZINC000166248298 538710451 /nfs/dbraw/zinc/71/04/51/538710451.db2.gz OXSLMKLYCHJKKN-IJLUTSLNSA-N 2 0 224.348 1.095 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)[C@H]2CCOC2)C1 ZINC000358232307 356863372 /nfs/dbraw/zinc/86/33/72/356863372.db2.gz UXGQAKZVKMDCLU-MCIONIFRSA-N 2 0 240.391 1.733 20 0 BDADRP [NH3+]CCC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000423179066 192612164 /nfs/dbraw/zinc/61/21/64/192612164.db2.gz CVRNERGYBQTSRH-CQSZACIVSA-N 2 0 218.344 1.946 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CN[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623377274 356896779 /nfs/dbraw/zinc/89/67/79/356896779.db2.gz SPOMYXMGHMBXEO-QWHCGFSZSA-N 2 0 239.407 1.543 20 0 BDADRP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000423207729 192628333 /nfs/dbraw/zinc/62/83/33/192628333.db2.gz SERXEKFFNXSGNP-WDNDVIMCSA-N 2 0 239.407 1.306 20 0 BDADRP CC(C)=CCC[C@H](C)[NH2+]CCN1CC[NH2+]CC1 ZINC000423200654 192624897 /nfs/dbraw/zinc/62/48/97/192624897.db2.gz GEJAMMPQKQNTEV-AWEZNQCLSA-N 2 0 239.407 1.616 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]C[C@H]2CCOC2)CC1 ZINC000020189303 357000229 /nfs/dbraw/zinc/00/02/29/357000229.db2.gz QHLWMZSGFDRCKW-GFCCVEGCSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H](C[NH3+])N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000389788444 357032689 /nfs/dbraw/zinc/03/26/89/357032689.db2.gz NSMTXEWTVCRCMK-GZBFAFLISA-N 2 0 247.386 1.444 20 0 BDADRP CC[C@@H]1CCC[C@H]([NH2+]C[C@](C)(O)C[NH+](C)C)C1 ZINC000300408544 357040702 /nfs/dbraw/zinc/04/07/02/357040702.db2.gz VPTRTGXXDSUERO-RDBSUJKOSA-N 2 0 242.407 1.857 20 0 BDADRP CC[NH+](CC)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000020523895 357012070 /nfs/dbraw/zinc/01/20/70/357012070.db2.gz YTBQUDKQJFNFCH-AGUYFDCRSA-N 2 0 239.407 1.543 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C(C)(C)O ZINC000623395491 357018620 /nfs/dbraw/zinc/01/86/20/357018620.db2.gz NRLRGLQMUMLTCJ-WDEREUQCSA-N 2 0 228.380 1.608 20 0 BDADRP CC[C@H]([NH2+]CCN(C)CC)C1CCOCC1 ZINC000390649141 357109087 /nfs/dbraw/zinc/10/90/87/357109087.db2.gz OSAZZZSTGDKVAQ-ZDUSSCGKSA-N 2 0 228.380 1.733 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CC[C@H](C)O)[C@@H](C)C1 ZINC000389997457 357081762 /nfs/dbraw/zinc/08/17/62/357081762.db2.gz QZPAFLRMJJOENJ-SDDRHHMPSA-N 2 0 214.353 1.077 20 0 BDADRP COCCC[C@H](C)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423258881 192655534 /nfs/dbraw/zinc/65/55/34/192655534.db2.gz MYPVTQGCBGARSL-QWHCGFSZSA-N 2 0 228.380 1.781 20 0 BDADRP C[C@@H]1C[N@@H+]([C@@H]2CCCSC2)C[C@H]1[NH3+] ZINC000300048886 357177194 /nfs/dbraw/zinc/17/71/94/357177194.db2.gz NMHZBGBOMZIEPC-OPRDCNLKSA-N 2 0 200.351 1.161 20 0 BDADRP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]([NH3+])C(C)C ZINC000423281965 192675945 /nfs/dbraw/zinc/67/59/45/192675945.db2.gz VOYXCANMLDQYRV-RWMBFGLXSA-N 2 0 228.380 1.765 20 0 BDADRP Cc1nccnc1[C@@H](C)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423283974 192677121 /nfs/dbraw/zinc/67/71/21/192677121.db2.gz XVHZPHKGOZLECD-YPMHNXCESA-N 2 0 248.374 1.825 20 0 BDADRP C[N@@H+]1CCCC[C@@H](C[NH2+]CC[C@H]2CCOC2)C1 ZINC000628425598 357252255 /nfs/dbraw/zinc/25/22/55/357252255.db2.gz PWYMOGDTZQRBQG-KBPBESRZSA-N 2 0 240.391 1.735 20 0 BDADRP C[N@@H+]1CCCC[C@H](C[NH2+]C2CSC2)C1 ZINC000628425464 357252772 /nfs/dbraw/zinc/25/27/72/357252772.db2.gz LTEMAQFBAICVSL-SNVBAGLBSA-N 2 0 214.378 1.423 20 0 BDADRP C(C[NH+]1CCN(C2CCC2)CC1)[C@H]1CC[NH2+]C1 ZINC000393188244 357278570 /nfs/dbraw/zinc/27/85/70/357278570.db2.gz QWYAKNREOZYWKB-CYBMUJFWSA-N 2 0 237.391 1.156 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+]2C[C@H](C)NC[C@@H]2C)CC[NH2+]1 ZINC000414769030 491110205 /nfs/dbraw/zinc/11/02/05/491110205.db2.gz VYZLEZRANQZNAA-MROQNXINSA-N 2 0 225.380 1.057 20 0 BDADRP Cc1c(CN(C)CCC[NH+](C)C)cnn1C ZINC000582513659 357323722 /nfs/dbraw/zinc/32/37/22/357323722.db2.gz BISZDJKEBHRYAA-UHFFFAOYSA-N 2 0 224.352 1.112 20 0 BDADRP C[C@H](O)[C@H](C)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000582541360 357340270 /nfs/dbraw/zinc/34/02/70/357340270.db2.gz AAUVFJIHPRUIQA-RYUDHWBXSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@H]([NH3+])c1ccc(C(=O)N(C)[C@@H]2CC[NH2+]C2)cc1 ZINC000582899625 357425392 /nfs/dbraw/zinc/42/53/92/357425392.db2.gz PMJAWJZTABSVMT-GXFFZTMASA-N 2 0 247.342 1.140 20 0 BDADRP [NH3+]C1(c2noc(C[C@@H]3CCC[NH2+]3)n2)CCCC1 ZINC000583024387 357452331 /nfs/dbraw/zinc/45/23/31/357452331.db2.gz ZCNNBIKQZHVQEI-VIFPVBQESA-N 2 0 236.319 1.092 20 0 BDADRP Cc1cnc(C)nc1NCC[N@@H+](C)C1CC1 ZINC000583033916 357464339 /nfs/dbraw/zinc/46/43/39/357464339.db2.gz HAPJTXPPMWNNRH-UHFFFAOYSA-N 2 0 220.320 1.021 20 0 BDADRP C[NH+]1CCC(C[NH2+]Cc2cncc(F)c2)CC1 ZINC000230940256 357582328 /nfs/dbraw/zinc/58/23/28/357582328.db2.gz JMZLEKSSYXNVOM-UHFFFAOYSA-N 2 0 237.322 1.652 20 0 BDADRP C[C@H](CCO)CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000397730458 357674085 /nfs/dbraw/zinc/67/40/85/357674085.db2.gz PXHNBLRBZCWBFF-TUAOUCFPSA-N 2 0 214.353 1.255 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000168513622 134224975 /nfs/dbraw/zinc/22/49/75/134224975.db2.gz IBKCHMYWLIVBQT-SDDRHHMPSA-N 2 0 212.337 1.082 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000234806760 357831257 /nfs/dbraw/zinc/83/12/57/357831257.db2.gz SMWBRUFWSMSDIT-UPJWGTAASA-N 2 0 228.380 1.909 20 0 BDADRP CC(C)[NH2+]CCCN[C@@H](C)C[C@@H](C)[NH3+] ZINC000584404662 357912232 /nfs/dbraw/zinc/91/22/32/357912232.db2.gz JITAAVAFZPZJHW-MNOVXSKESA-N 2 0 201.358 1.090 20 0 BDADRP c1[nH]nc2c1cccc2C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000584517302 358029142 /nfs/dbraw/zinc/02/91/42/358029142.db2.gz MHBBJKZEODXBDP-NSHDSACASA-N 2 0 244.342 1.652 20 0 BDADRP COCC1(CC[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000584590243 358095621 /nfs/dbraw/zinc/09/56/21/358095621.db2.gz RLPMHPXBDXXGGZ-STQMWFEESA-N 2 0 240.391 1.733 20 0 BDADRP CC[C@@]1(O)CCC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000640036879 358136963 /nfs/dbraw/zinc/13/69/63/358136963.db2.gz YOOIRUZQSVECBD-UONOGXRCSA-N 2 0 240.391 1.708 20 0 BDADRP CC(C)[N@H+](C)CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000223002502 358214052 /nfs/dbraw/zinc/21/40/52/358214052.db2.gz FVRSWMCZNYKKQA-VXGBXAGGSA-N 3 0 213.369 1.186 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000222940127 358216220 /nfs/dbraw/zinc/21/62/20/358216220.db2.gz GNLYEMQICJFHKK-RQJABVFESA-N 2 0 237.391 1.473 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCSC2)C1 ZINC000224405949 358233348 /nfs/dbraw/zinc/23/33/48/358233348.db2.gz JIHRHXSBPQNBBY-NEPJUHHUSA-N 2 0 228.405 1.671 20 0 BDADRP COC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000226703705 358343504 /nfs/dbraw/zinc/34/35/04/358343504.db2.gz DKVITQHNNNYLDK-VXGBXAGGSA-N 2 0 214.353 1.341 20 0 BDADRP COCCCCC[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000227257076 358352397 /nfs/dbraw/zinc/35/23/97/358352397.db2.gz BNMZFLFIBLBRDU-NWDGAFQWSA-N 2 0 214.353 1.615 20 0 BDADRP Cc1ncsc1CC[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000228180786 358369872 /nfs/dbraw/zinc/36/98/72/358369872.db2.gz IDNHWHDNKHABDE-MWLCHTKSSA-N 2 0 239.388 1.806 20 0 BDADRP CC(C)(C)NC(=O)CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000228334597 358373805 /nfs/dbraw/zinc/37/38/05/358373805.db2.gz PQNTXFRNHFLKMN-GHMZBOCLSA-N 2 0 241.379 1.151 20 0 BDADRP C[C@H](c1cnccn1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228536219 358377313 /nfs/dbraw/zinc/37/73/13/358377313.db2.gz BPFRPQXEPYUVJX-YVECIDJPSA-N 2 0 246.358 1.597 20 0 BDADRP CC[NH+]1CCC(C[NH2+]Cc2nccn2C)CC1 ZINC000044518693 358389774 /nfs/dbraw/zinc/38/97/74/358389774.db2.gz RENWWKPTTHSCAX-UHFFFAOYSA-N 2 0 236.363 1.242 20 0 BDADRP Cc1cc(C[NH2+]CC2CC[NH2+]CC2)on1 ZINC000045011518 358398548 /nfs/dbraw/zinc/39/85/48/358398548.db2.gz HBKHOQFGTNFUQC-UHFFFAOYSA-N 2 0 209.293 1.072 20 0 BDADRP COCC[C@@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000045044554 358400494 /nfs/dbraw/zinc/40/04/94/358400494.db2.gz HKDKBFXDGHKVAP-GHMZBOCLSA-N 2 0 200.326 1.082 20 0 BDADRP Cc1ccc(CC[N@@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000211429579 358447785 /nfs/dbraw/zinc/44/77/85/358447785.db2.gz OTQBYCYGCXSYOG-CQSZACIVSA-N 2 0 218.344 1.818 20 0 BDADRP C[C@H]([NH2+][C@H]1C[C@@H](CO)C1)C1CC[NH+](C)CC1 ZINC000631669505 358442084 /nfs/dbraw/zinc/44/20/84/358442084.db2.gz KHZVAVWKQDPAGU-GMXVVIOVSA-N 2 0 226.364 1.077 20 0 BDADRP C[C@@H]([NH2+][C@H]1C[C@@H](CO)C1)C1CC[NH+](C)CC1 ZINC000631669509 358442299 /nfs/dbraw/zinc/44/22/99/358442299.db2.gz KHZVAVWKQDPAGU-WZRBSPASSA-N 2 0 226.364 1.077 20 0 BDADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1ccccc1 ZINC000219305142 134281539 /nfs/dbraw/zinc/28/15/39/134281539.db2.gz PSLOASSGWFKTAB-ZDUSSCGKSA-N 2 0 236.359 1.915 20 0 BDADRP C[C@@H]1CCCC[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000219325181 134281583 /nfs/dbraw/zinc/28/15/83/134281583.db2.gz VLCQGQFNKMBRLC-CHWSQXEVSA-N 2 0 228.380 1.733 20 0 BDADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000049559611 358694442 /nfs/dbraw/zinc/69/44/42/358694442.db2.gz YDEHOUYNHABBRR-WCQYABFASA-N 2 0 249.358 1.143 20 0 BDADRP CCCC[C@@H]([NH3+])C(=O)NCC[NH+]1CCCCC1 ZINC000049575515 358695216 /nfs/dbraw/zinc/69/52/16/358695216.db2.gz BJCQDSUXOBGTDY-GFCCVEGCSA-N 2 0 241.379 1.106 20 0 BDADRP CCCCOCC[NH+]1CCC(C[NH2+]C)CC1 ZINC000051756287 358761287 /nfs/dbraw/zinc/76/12/87/358761287.db2.gz CGDGWLLNFLUJCW-UHFFFAOYSA-N 2 0 228.380 1.735 20 0 BDADRP C[C@@H]1C[C@@H](C)C[NH+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000219853593 134292261 /nfs/dbraw/zinc/29/22/61/134292261.db2.gz VBRYHUGSDUOQLK-UPJWGTAASA-N 2 0 210.365 1.964 20 0 BDADRP CCC(CC)C[N@H+](CC)C[C@](C)(O)C[NH2+]C ZINC000578241922 366468743 /nfs/dbraw/zinc/46/87/43/366468743.db2.gz ANCLQUOZWAKTNN-CYBMUJFWSA-N 2 0 230.396 1.715 20 0 BDADRP C[C@@H](CC[NH3+])[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000136140140 358865116 /nfs/dbraw/zinc/86/51/16/358865116.db2.gz ISOWLGRRHQUMOG-LBPRGKRZSA-N 2 0 244.342 1.699 20 0 BDADRP COCC[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056522603 358899200 /nfs/dbraw/zinc/89/92/00/358899200.db2.gz IXFSBXUFZLHUDG-UHFFFAOYSA-N 2 0 214.353 1.297 20 0 BDADRP CCC(O)(CC)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000086404619 358968113 /nfs/dbraw/zinc/96/81/13/358968113.db2.gz OBTRJGACECRWAR-GHMZBOCLSA-N 2 0 214.353 1.397 20 0 BDADRP CCC(O)(CC)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000086404613 358968416 /nfs/dbraw/zinc/96/84/16/358968416.db2.gz OBTRJGACECRWAR-WDEREUQCSA-N 2 0 214.353 1.397 20 0 BDADRP C[C@@H](C[NH2+]CC(C)(C)C)CN1CC[NH+](C)CC1 ZINC000105439043 358942530 /nfs/dbraw/zinc/94/25/30/358942530.db2.gz ABYHXEYYAOUGAG-ZDUSSCGKSA-N 2 0 241.423 1.506 20 0 BDADRP COC(=O)CCC[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000069721170 359032450 /nfs/dbraw/zinc/03/24/50/359032450.db2.gz PFNQNNJSTUUUBI-NSHDSACASA-N 2 0 228.336 1.143 20 0 BDADRP Cc1c[nH+]ccc1NCCN1CC[NH+](C)CC1 ZINC000070489541 359057522 /nfs/dbraw/zinc/05/75/22/359057522.db2.gz VEJXFCIQMHGWSL-UHFFFAOYSA-N 2 0 234.347 1.049 20 0 BDADRP CCOC[C@H]1CCC[C@H]1[NH2+]CCCC[NH3+] ZINC000423329981 192711562 /nfs/dbraw/zinc/71/15/62/192711562.db2.gz PGBCMQVIOVNKSF-VXGBXAGGSA-N 2 0 214.353 1.520 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cccnc2)[C@@H](C)C1 ZINC000247186655 359199879 /nfs/dbraw/zinc/19/98/79/359199879.db2.gz VNWTWSIJNHDOPG-ZFWWWQNUSA-N 2 0 247.386 1.944 20 0 BDADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)C1CC1 ZINC000247392378 359217753 /nfs/dbraw/zinc/21/77/53/359217753.db2.gz WANFCZNGEIZNHA-JSGCOSHPSA-N 2 0 240.391 1.611 20 0 BDADRP CC[C@@H](CCO)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623443756 359333626 /nfs/dbraw/zinc/33/36/26/359333626.db2.gz MDVHRWZLSKBJBZ-QWHCGFSZSA-N 2 0 242.407 1.857 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCOC1 ZINC000423462303 192779924 /nfs/dbraw/zinc/77/99/24/192779924.db2.gz DLIHSMQSZNJFDT-SYQHCUMBSA-N 2 0 240.391 1.909 20 0 BDADRP COCCC[C@H](C)[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000423468181 192784425 /nfs/dbraw/zinc/78/44/25/192784425.db2.gz JNTVCZZTDSTOBG-AVGNSLFASA-N 2 0 228.380 1.909 20 0 BDADRP COCCC[C@@H](C)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423478256 192788837 /nfs/dbraw/zinc/78/88/37/192788837.db2.gz KWDMHKMKYACOBQ-OLZOCXBDSA-N 2 0 228.380 1.923 20 0 BDADRP CN1CCC[C@@H]1C[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000308936025 491140629 /nfs/dbraw/zinc/14/06/29/491140629.db2.gz KVHFHEMONRMPTE-AGIUHOORSA-N 2 0 208.349 1.859 20 0 BDADRP CC[NH+]1CCC(C[NH2+]C[C@H](O)CSC)CC1 ZINC000580435181 359546072 /nfs/dbraw/zinc/54/60/72/359546072.db2.gz OQQWNIYCGYSVMT-LBPRGKRZSA-N 2 0 246.420 1.032 20 0 BDADRP CC[C@H]([NH3+])CNC(=O)c1ccccc1C[NH+](C)C ZINC000423684313 192823291 /nfs/dbraw/zinc/82/32/91/192823291.db2.gz RFYBYXDUMCFLOC-LBPRGKRZSA-N 2 0 249.358 1.215 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2cn[nH]c2)c2ccccc21 ZINC000379590277 359556216 /nfs/dbraw/zinc/55/62/16/359556216.db2.gz UCCZKBMLIXFBTN-ZIAGYGMSSA-N 2 0 242.326 1.687 20 0 BDADRP [NH3+]C[C@H]1CCC[N@H+](CCCc2ccncc2)C1 ZINC000580445853 359562768 /nfs/dbraw/zinc/56/27/68/359562768.db2.gz IWKUKRZZQHVVMF-CQSZACIVSA-N 2 0 233.359 1.685 20 0 BDADRP CCc1cc(N2CC[N@H+](CCO)C[C@@H]2C)cc[nH+]1 ZINC000450956903 202319671 /nfs/dbraw/zinc/31/96/71/202319671.db2.gz SIDFNSDPSDIEHX-LBPRGKRZSA-N 2 0 249.358 1.147 20 0 BDADRP C[N@H+](C[C@@H](O)CN1CCC[C@](C)(F)C1)C1CC1 ZINC000451112895 202354434 /nfs/dbraw/zinc/35/44/34/202354434.db2.gz IUXCIOWOKPGDJM-OLZOCXBDSA-N 2 0 244.354 1.266 20 0 BDADRP CCC(O)(CC)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000087014451 359893781 /nfs/dbraw/zinc/89/37/81/359893781.db2.gz WPIKJIZKDZGHRN-YNEHKIRRSA-N 2 0 242.407 1.856 20 0 BDADRP COC[C@@]1(C[NH2+][C@@H](C(C)C)C2CC2)CCC[NH2+]1 ZINC000578617340 366608533 /nfs/dbraw/zinc/60/85/33/366608533.db2.gz DFYSZQYRVKWXSU-KBPBESRZSA-N 2 0 240.391 1.779 20 0 BDADRP COc1ccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089147341 359993181 /nfs/dbraw/zinc/99/31/81/359993181.db2.gz OLFGNJKRKJXQKB-JSGCOSHPSA-N 2 0 234.343 1.912 20 0 BDADRP CC(C)[NH+]1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000089424646 360020020 /nfs/dbraw/zinc/02/00/20/360020020.db2.gz WIUIKPHUUCAQNV-AWEZNQCLSA-N 2 0 239.407 1.497 20 0 BDADRP CC(C)C[NH+]1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000089749410 360037256 /nfs/dbraw/zinc/03/72/56/360037256.db2.gz UNCGOKCDOYTMDH-CQSZACIVSA-N 2 0 239.407 1.260 20 0 BDADRP CC[C@H](C)C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000093065008 360213326 /nfs/dbraw/zinc/21/33/26/360213326.db2.gz QMXLLFSEQMPTTR-LBPRGKRZSA-N 2 0 228.380 1.469 20 0 BDADRP COCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000093488499 360250881 /nfs/dbraw/zinc/25/08/81/360250881.db2.gz WJCRKKMTMXPTBX-HZSPNIEDSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NCCC[NH+](C)C ZINC000093496206 360250944 /nfs/dbraw/zinc/25/09/44/360250944.db2.gz SBRVSTGQLOILII-ZIAGYGMSSA-N 2 0 241.423 1.839 20 0 BDADRP CC1(C)CCC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000094324299 360303763 /nfs/dbraw/zinc/30/37/63/360303763.db2.gz IYOGAVTXMJLARQ-CHWSQXEVSA-N 2 0 240.391 1.611 20 0 BDADRP CC1(C)CCC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000094324297 360304005 /nfs/dbraw/zinc/30/40/05/360304005.db2.gz IYOGAVTXMJLARQ-QWHCGFSZSA-N 2 0 240.391 1.611 20 0 BDADRP CC1(C)C[C@@H]([NH2+]CCn2ccnc2)C(C)(C)O1 ZINC000094424104 360307448 /nfs/dbraw/zinc/30/74/48/360307448.db2.gz ZVCQAYFVMJGWRE-LLVKDONJSA-N 2 0 237.347 1.819 20 0 BDADRP C([C@H]1CCSC1)[N@@H+]1CCC[NH2+]CC1 ZINC000224608815 360522336 /nfs/dbraw/zinc/52/23/36/360522336.db2.gz SQZJOEKVRLIRFV-SNVBAGLBSA-N 2 0 200.351 1.035 20 0 BDADRP CCC[C@H](CC)[NH2+]CC1([NH3+])CCOCC1 ZINC000629389086 361035026 /nfs/dbraw/zinc/03/50/26/361035026.db2.gz TYUPUNZABVYDMO-NSHDSACASA-N 2 0 214.353 1.663 20 0 BDADRP CC(C)(C)[NH2+]CCNc1ccc(C[NH3+])cc1 ZINC000414915898 219883688 /nfs/dbraw/zinc/88/36/88/219883688.db2.gz REGQORZKECOIJD-UHFFFAOYSA-N 2 0 221.348 1.945 20 0 BDADRP C[C@H]1CCC[C@@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629387555 361039103 /nfs/dbraw/zinc/03/91/03/361039103.db2.gz IXEKYKFVTOFJRT-QWRGUYRKSA-N 2 0 212.337 1.273 20 0 BDADRP C[C@@H]1CCC[C@@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629387554 361039231 /nfs/dbraw/zinc/03/92/31/361039231.db2.gz IXEKYKFVTOFJRT-MNOVXSKESA-N 2 0 212.337 1.273 20 0 BDADRP C[C@@H]1CCC[C@@H]([NH2+]CC2([NH3+])CCOCC2)[C@H]1C ZINC000629387832 361039984 /nfs/dbraw/zinc/03/99/84/361039984.db2.gz LFFOJKQSXQAVLT-FRRDWIJNSA-N 2 0 240.391 1.909 20 0 BDADRP C[NH2+]CCOCC[NH2+]C1CCCCCC1 ZINC000629392171 361041344 /nfs/dbraw/zinc/04/13/44/361041344.db2.gz JNDGIRHNHPPCSJ-UHFFFAOYSA-N 2 0 214.353 1.535 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000629392745 361042319 /nfs/dbraw/zinc/04/23/19/361042319.db2.gz SSHSSKSKMIALSO-JHJVBQTASA-N 2 0 228.380 1.637 20 0 BDADRP CCCC[C@@H](C)[NH2+]CCOCCC[NH3+] ZINC000629398773 361049013 /nfs/dbraw/zinc/04/90/13/361049013.db2.gz YSZLOLBGQQMJPW-LLVKDONJSA-N 2 0 202.342 1.520 20 0 BDADRP CC[C@@H]1CCC[C@@H]([NH2+]CCOCCC[NH3+])C1 ZINC000629399274 361050183 /nfs/dbraw/zinc/05/01/83/361050183.db2.gz FFOAMLYQVIMBLD-CHWSQXEVSA-N 2 0 228.380 1.910 20 0 BDADRP CC[C@H]1CCC[C@H]([NH2+]CCOCCC[NH3+])C1 ZINC000629399277 361050210 /nfs/dbraw/zinc/05/02/10/361050210.db2.gz FFOAMLYQVIMBLD-STQMWFEESA-N 2 0 228.380 1.910 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@@H]1C(C)C ZINC000629404473 361050267 /nfs/dbraw/zinc/05/02/67/361050267.db2.gz OFBZRKSYXQVIFJ-CHWSQXEVSA-N 2 0 228.380 1.637 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CCOCCC[NH3+])C[C@@H]1C ZINC000629398825 361050420 /nfs/dbraw/zinc/05/04/20/361050420.db2.gz ICXPBMGPFQIBES-FRRDWIJNSA-N 2 0 228.380 1.766 20 0 BDADRP C[C@@H](CC1CC1)[NH2+]CCOCCC[NH3+] ZINC000629400202 361051152 /nfs/dbraw/zinc/05/11/52/361051152.db2.gz QAVUCGAODJDXSI-JTQLQIEISA-N 2 0 200.326 1.130 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H](C)Cc1ccsc1 ZINC000629404903 361054650 /nfs/dbraw/zinc/05/46/50/361054650.db2.gz SXLQCYRPXIAUED-NSHDSACASA-N 2 0 242.388 1.505 20 0 BDADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629410579 361060164 /nfs/dbraw/zinc/06/01/64/361060164.db2.gz HBWHGHPAIILXEY-KZVDOYCCSA-N 2 0 237.391 1.199 20 0 BDADRP CCO[C@H](C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1)C1CC1 ZINC000629521542 361117818 /nfs/dbraw/zinc/11/78/18/361117818.db2.gz UNWBEGUBEMZCSA-WCFLWFBJSA-N 2 0 226.364 1.471 20 0 BDADRP CCC[C@@H](C)CCCN1CCO[C@H](C[NH3+])C1 ZINC000629519551 361120709 /nfs/dbraw/zinc/12/07/09/361120709.db2.gz UNUDWYMXXACBSN-CHWSQXEVSA-N 2 0 228.380 1.862 20 0 BDADRP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)[C@@H]1C[C@H]1C ZINC000629518627 361119003 /nfs/dbraw/zinc/11/90/03/361119003.db2.gz AHTZVBBLFKSROC-GMTAPVOTSA-N 2 0 212.337 1.128 20 0 BDADRP CCO[C@H](C[N@@H+]1CC[C@@H](C[NH3+])C1)C1CC1 ZINC000629511913 361106284 /nfs/dbraw/zinc/10/62/84/361106284.db2.gz NJZRRDMHNVEJAS-CMPLNLGQSA-N 2 0 212.337 1.082 20 0 BDADRP CCO[C@H](C[NH+]1CCC([NH2+]C)CC1)C1CC1 ZINC000629510373 361108863 /nfs/dbraw/zinc/10/88/63/361108863.db2.gz RGBXBRFOJGCLJR-CYBMUJFWSA-N 2 0 226.364 1.485 20 0 BDADRP CCO[C@H](C[NH2+][C@@](C)(C[NH3+])C(C)C)C1CC1 ZINC000629516014 361110284 /nfs/dbraw/zinc/11/02/84/361110284.db2.gz YZQPSZSZBAGEIP-OLZOCXBDSA-N 2 0 228.380 1.765 20 0 BDADRP CCC[C@H](C[NH2+][C@@H](C)C[C@@H](C)[NH3+])OCC ZINC000629515385 361112499 /nfs/dbraw/zinc/11/24/99/361112499.db2.gz QXLLCWNUXCUWPN-GRYCIOLGSA-N 2 0 216.369 1.907 20 0 BDADRP C[C@H]([NH2+]CC1([NH3+])CCOCC1)C1CCCC1 ZINC000629519654 361120384 /nfs/dbraw/zinc/12/03/84/361120384.db2.gz CDCDHFJMCCKHJU-NSHDSACASA-N 2 0 226.364 1.663 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCOC[C@H]1C ZINC000629527032 361131765 /nfs/dbraw/zinc/13/17/65/361131765.db2.gz IGKBNWVCIHCBAX-NOOOWODRSA-N 2 0 212.337 1.142 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCCCC[C@H]1[NH3+] ZINC000629527907 361135515 /nfs/dbraw/zinc/13/55/15/361135515.db2.gz JAFFFARJWVAKQV-YVECIDJPSA-N 2 0 225.380 1.377 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000424368144 200923096 /nfs/dbraw/zinc/92/30/96/200923096.db2.gz AREMZWHLJUZQPC-DIURFFJMSA-N 2 0 224.348 1.127 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccsc1 ZINC000629528877 361138120 /nfs/dbraw/zinc/13/81/20/361138120.db2.gz LZFCRPJTDUWDPX-JTQLQIEISA-N 2 0 228.361 1.635 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000629529708 361141664 /nfs/dbraw/zinc/14/16/64/361141664.db2.gz LNTWXUIGDGLFJL-OAHLLOKOSA-N 2 0 248.370 1.963 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000629530422 361144365 /nfs/dbraw/zinc/14/43/65/361144365.db2.gz GOWYBDMBBPNPOF-QWHCGFSZSA-N 2 0 246.370 1.730 20 0 BDADRP C[NH2+]CCOCC[NH2+]C1CCC2(CC2)CC1 ZINC000629530273 361144496 /nfs/dbraw/zinc/14/44/96/361144496.db2.gz BLKGDLFCTNXYPD-UHFFFAOYSA-N 2 0 226.364 1.535 20 0 BDADRP CC[C@H]([NH2+]CC1([NH3+])CCOCC1)[C@@H]1C[C@H]1C ZINC000629522292 361123173 /nfs/dbraw/zinc/12/31/73/361123173.db2.gz ZGLALCHDFXXKLR-UTUOFQBUSA-N 2 0 226.364 1.519 20 0 BDADRP CC(C)CC[C@H](CO)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000629525164 361125653 /nfs/dbraw/zinc/12/56/53/361125653.db2.gz WKSRKAGPPFIVIZ-RWMBFGLXSA-N 2 0 228.380 1.643 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CCS1 ZINC000158591526 361204895 /nfs/dbraw/zinc/20/48/95/361204895.db2.gz AIIVTJRPLMAWSI-VXGBXAGGSA-N 2 0 228.405 1.813 20 0 BDADRP COCCCC[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000158708337 361210182 /nfs/dbraw/zinc/21/01/82/361210182.db2.gz YMLZEYJKBHTYDD-MNOVXSKESA-N 2 0 200.326 1.082 20 0 BDADRP CC[C@@H](O)C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532217 361302343 /nfs/dbraw/zinc/30/23/43/361302343.db2.gz BPYUHBJJWPUGQN-CQSZACIVSA-N 2 0 242.407 1.955 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC[C@@H]1CC1(F)F ZINC000622044039 370673361 /nfs/dbraw/zinc/67/33/61/370673361.db2.gz SEMBPWLOZQAZTG-XHNCKOQMSA-N 2 0 206.280 1.747 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CC1(F)F)C1C[NH2+]C1 ZINC000622043947 370676013 /nfs/dbraw/zinc/67/60/13/370676013.db2.gz PZKQEVWOYJKVJA-VXNVDRBHSA-N 2 0 204.264 1.229 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CC1=CCCOC1 ZINC000379739541 361387157 /nfs/dbraw/zinc/38/71/57/361387157.db2.gz ZREMEQCTKKJMGV-CHWSQXEVSA-N 2 0 224.348 1.440 20 0 BDADRP CC[C@H](C(=O)NC[C@H]([NH3+])C(C)C)[NH+](CC)CC ZINC000429166720 201076616 /nfs/dbraw/zinc/07/66/16/201076616.db2.gz WZYSQKRIGFEYNR-NWDGAFQWSA-N 2 0 243.395 1.206 20 0 BDADRP C[C@@H]1CC[C@H](N[C@H]2CCCCC[C@H]2[NH3+])C[NH2+]1 ZINC000629536211 361398818 /nfs/dbraw/zinc/39/88/18/361398818.db2.gz FBCQAOCFAPZSDC-XQHKEYJVSA-N 2 0 225.380 1.377 20 0 BDADRP Cc1ncc([C@@H](C)[NH2+]CCOCCC[NH3+])s1 ZINC000629536943 361399501 /nfs/dbraw/zinc/39/95/01/361399501.db2.gz ISPJZXBVAVIBNK-SECBINFHSA-N 2 0 243.376 1.468 20 0 BDADRP [NH3+]C1(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CCC1 ZINC000333110338 181332602 /nfs/dbraw/zinc/33/26/02/181332602.db2.gz GGWXEDXTMFEEEL-YNEHKIRRSA-N 2 0 237.391 1.378 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000579354356 366768191 /nfs/dbraw/zinc/76/81/91/366768191.db2.gz VMVXHFWXAAPOGD-WDEREUQCSA-N 2 0 238.379 1.854 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000629538896 361403236 /nfs/dbraw/zinc/40/32/36/361403236.db2.gz PXKARIHQPJBVRS-PPCPHDFISA-N 2 0 244.379 1.142 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(C)(C)C[NH3+])cc1 ZINC000429551109 201114829 /nfs/dbraw/zinc/11/48/29/201114829.db2.gz ZPKVGYNUFJBTII-VIFPVBQESA-N 2 0 235.331 1.630 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc[nH]c1=O ZINC000629544152 361413217 /nfs/dbraw/zinc/41/32/17/361413217.db2.gz HLHDULKZOKZTMP-IUCAKERBSA-N 2 0 209.293 1.003 20 0 BDADRP C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CCOCCC[NH3+] ZINC000629540043 361414605 /nfs/dbraw/zinc/41/46/05/361414605.db2.gz RZPCORMJWQRMPP-AGIUHOORSA-N 2 0 226.364 1.520 20 0 BDADRP CCC[C@H](O)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000133620367 491158104 /nfs/dbraw/zinc/15/81/04/491158104.db2.gz QVBHBICECHQEPC-AAEUAGOBSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)C1CC[NH+](C)CC1 ZINC000629548541 361434214 /nfs/dbraw/zinc/43/42/14/361434214.db2.gz QAWHLGFDLDBIEW-GMXVVIOVSA-N 3 0 225.380 1.057 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@H](C)C[C@@H](C)[NH3+])C1 ZINC000629554617 361437480 /nfs/dbraw/zinc/43/74/80/361437480.db2.gz KVQOJACLCLJAAU-DBIOUOCHSA-N 2 0 200.326 1.127 20 0 BDADRP CCC[C@@H](O)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000133620988 491158143 /nfs/dbraw/zinc/15/81/43/491158143.db2.gz QVBHBICECHQEPC-DGCLKSJQSA-N 2 0 228.380 1.467 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000629554503 361442633 /nfs/dbraw/zinc/44/26/33/361442633.db2.gz JXSXJRJQXVERBR-WYUUTHIRSA-N 2 0 212.337 1.271 20 0 BDADRP CCO[C@H](C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C)C1CC1 ZINC000629550544 361443157 /nfs/dbraw/zinc/44/31/57/361443157.db2.gz ZEMIMVZAXGQMFV-KGYLQXTDSA-N 2 0 226.364 1.613 20 0 BDADRP CCn1cc([C@H](C)N[C@@H]2CC[C@H](C)[NH2+]C2)cn1 ZINC000629541539 361416404 /nfs/dbraw/zinc/41/64/04/361416404.db2.gz WEGVHQKDJLJILU-GMXVVIOVSA-N 2 0 236.363 1.694 20 0 BDADRP C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000430111936 201144681 /nfs/dbraw/zinc/14/46/81/201144681.db2.gz APMCJQUPOYXZTR-UPJWGTAASA-N 2 0 208.349 1.670 20 0 BDADRP CCn1cc([C@H](C)N[C@H]2CC[C@H](C)[NH2+]C2)cn1 ZINC000629541541 361416895 /nfs/dbraw/zinc/41/68/95/361416895.db2.gz WEGVHQKDJLJILU-GVXVVHGQSA-N 2 0 236.363 1.694 20 0 BDADRP C[C@H]1CC[C@H]([NH2+]C2CCC(C[NH3+])CC2)CN1 ZINC000629542390 361419534 /nfs/dbraw/zinc/41/95/34/361419534.db2.gz YNEXSQLLVGUJCN-WTIISPKJSA-N 2 0 225.380 1.234 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)Cc1cnccc1C ZINC000629572137 361463962 /nfs/dbraw/zinc/46/39/62/361463962.db2.gz NTSZYSPUWIYRBB-UHFFFAOYSA-N 2 0 237.347 1.058 20 0 BDADRP O[C@H](C[NH2+]C[C@@H]1C[C@H]1C1CC1)C[NH+]1CCCC1 ZINC000629580305 361465813 /nfs/dbraw/zinc/46/58/13/361465813.db2.gz QGYVEKIPBVDFDI-MJBXVCDLSA-N 2 0 238.375 1.079 20 0 BDADRP C[N@H+](CCCCC(F)(F)F)CCOCC[NH3+] ZINC000629577897 361467632 /nfs/dbraw/zinc/46/76/32/361467632.db2.gz KTJJGDUSKOEYEQ-UHFFFAOYSA-N 2 0 242.285 1.626 20 0 BDADRP C[C@@H]1CC(F)(F)CC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000629576770 361468002 /nfs/dbraw/zinc/46/80/02/361468002.db2.gz SXIMZBLDWRAODI-NXEZZACHSA-N 2 0 218.291 1.716 20 0 BDADRP CC(C)N(C)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433169419 201163419 /nfs/dbraw/zinc/16/34/19/201163419.db2.gz RKTDHQJWOQDYSY-UHFFFAOYSA-N 2 0 241.379 1.057 20 0 BDADRP CC[C@@H](C)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629594999 361481563 /nfs/dbraw/zinc/48/15/63/361481563.db2.gz LGKLCVJZZCRHPF-UPJWGTAASA-N 2 0 210.365 1.964 20 0 BDADRP C[NH2+]CCCN1CCCc2cccc(C[NH3+])c21 ZINC000629560052 361455348 /nfs/dbraw/zinc/45/53/48/361455348.db2.gz IGSKUEYEHGUGKZ-UHFFFAOYSA-N 2 0 233.359 1.507 20 0 BDADRP C(C[N@@H+]1CCO[C@@H]2CCC[C@@H]21)[C@H]1CC[NH2+]C1 ZINC000629566797 361457605 /nfs/dbraw/zinc/45/76/05/361457605.db2.gz HVSZJRVVXBQCTK-FRRDWIJNSA-N 2 0 224.348 1.239 20 0 BDADRP CC[C@@H](C(=O)Nc1cccc(C[NH3+])c1)[NH+](C)C ZINC000629610988 361500143 /nfs/dbraw/zinc/50/01/43/361500143.db2.gz KYXIKETZEGZLJG-LBPRGKRZSA-N 2 0 235.331 1.424 20 0 BDADRP CC[C@@H](C(=O)Nc1ccc([C@H](C)[NH3+])cc1)[NH+](C)C ZINC000629611691 361501424 /nfs/dbraw/zinc/50/14/24/361501424.db2.gz AHYHCULWSDVQLS-GWCFXTLKSA-N 2 0 249.358 1.985 20 0 BDADRP CC[C@@H](C(=O)NC[C@H]([NH3+])c1ccccc1)[NH+](C)C ZINC000629615569 361505539 /nfs/dbraw/zinc/50/55/39/361505539.db2.gz VEILJXIFVJNNID-STQMWFEESA-N 2 0 249.358 1.143 20 0 BDADRP CC[C@H](C(=O)Nc1cc(C)cc(C[NH3+])c1)[NH+](C)C ZINC000629613506 361507638 /nfs/dbraw/zinc/50/76/38/361507638.db2.gz BOWSISUJJNRBQY-CYBMUJFWSA-N 2 0 249.358 1.732 20 0 BDADRP COC[C@@H]([NH2+]CCN1CC[C@H](C)C1)C1CC1 ZINC000309969977 491158664 /nfs/dbraw/zinc/15/86/64/491158664.db2.gz OYIAUVSVGLNHRR-WCQYABFASA-N 2 0 226.364 1.343 20 0 BDADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC1=CCCOC1 ZINC000629646807 361535522 /nfs/dbraw/zinc/53/55/22/361535522.db2.gz FDQRENKHNGAKRU-JQWIXIFHSA-N 2 0 210.321 1.002 20 0 BDADRP CS[C@H]1CC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000448545868 201197886 /nfs/dbraw/zinc/19/78/86/201197886.db2.gz NWQWRBHOJPNUGX-NEPJUHHUSA-N 2 0 228.405 1.908 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccn(C)c2)C1 ZINC000629647553 361538072 /nfs/dbraw/zinc/53/80/72/361538072.db2.gz ZEPWVRTZKWQOJP-ZYHUDNBSSA-N 2 0 207.321 1.194 20 0 BDADRP COCc1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)o1 ZINC000629647957 361539890 /nfs/dbraw/zinc/53/98/90/361539890.db2.gz LXYLPVIQQFGZHO-NSHDSACASA-N 2 0 238.331 1.515 20 0 BDADRP Cn1ccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000629648747 361542362 /nfs/dbraw/zinc/54/23/62/361542362.db2.gz ULHBYYWRVAJDAJ-CYBMUJFWSA-N 2 0 233.359 1.789 20 0 BDADRP C[C@H]([N@H+](C)CC[C@@H]1CCC[NH+]1C)C(C)(C)O ZINC000448546767 201202756 /nfs/dbraw/zinc/20/27/56/201202756.db2.gz MFMPEHSLLNKQFI-RYUDHWBXSA-N 2 0 228.380 1.562 20 0 BDADRP COC1(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)CCCC1 ZINC000629649510 361545129 /nfs/dbraw/zinc/54/51/29/361545129.db2.gz UHWIUDBPIWMJGD-VXGBXAGGSA-N 2 0 226.364 1.676 20 0 BDADRP COC1(C[NH2+][C@H](C)C[C@H](C)[NH3+])CCCC1 ZINC000629649785 361545950 /nfs/dbraw/zinc/54/59/50/361545950.db2.gz GJVYRGSWOVSOKH-WDEREUQCSA-N 2 0 214.353 1.661 20 0 BDADRP C[C@H]1CCC[C@H](C[NH2+]CC2([NH3+])CCOCC2)C1 ZINC000629653443 361552600 /nfs/dbraw/zinc/55/26/00/361552600.db2.gz HJXKWRDRBHWCFX-STQMWFEESA-N 2 0 240.391 1.910 20 0 BDADRP C[C@H]1CCC[C@@H](C[NH2+]CC2([NH3+])CCOCC2)C1 ZINC000629653441 361553475 /nfs/dbraw/zinc/55/34/75/361553475.db2.gz HJXKWRDRBHWCFX-QWHCGFSZSA-N 2 0 240.391 1.910 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000629653999 361554639 /nfs/dbraw/zinc/55/46/39/361554639.db2.gz KZKLTSPVVZDCFB-OLZOCXBDSA-N 2 0 240.416 1.956 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@H](CCF)C2)CC[NH2+]1 ZINC000629666482 361587587 /nfs/dbraw/zinc/58/75/87/361587587.db2.gz REMFRRTWIXWUHB-JHJVBQTASA-N 2 0 244.354 1.435 20 0 BDADRP CC[N@H+](C[C@@H]1CCOC1)[C@@H]1CCC[NH2+]CC1 ZINC000435626578 201279084 /nfs/dbraw/zinc/27/90/84/201279084.db2.gz OXKBLVGRDNFVGX-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP CC[N@H+](CCCCOC)[C@@H]1CCC[NH2+]CC1 ZINC000435614260 201279917 /nfs/dbraw/zinc/27/99/17/201279917.db2.gz LYGXYGZUVGTSLS-CYBMUJFWSA-N 2 0 228.380 1.877 20 0 BDADRP CCCC[C@H]([NH3+])C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000154558561 201283273 /nfs/dbraw/zinc/28/32/73/201283273.db2.gz ANAPOPCTAAQWFF-JQWIXIFHSA-N 2 0 241.379 1.103 20 0 BDADRP C[NH2+]CCCN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000435880088 201291434 /nfs/dbraw/zinc/29/14/34/201291434.db2.gz NFAXGSZDUGFJHN-CYBMUJFWSA-N 2 0 225.380 1.014 20 0 BDADRP [NH3+][C@H]1CCc2nc(C3=CC[NH2+]CC3)sc2C1 ZINC000629722384 361662536 /nfs/dbraw/zinc/66/25/36/361662536.db2.gz AEOJLDIPTUBFEF-VIFPVBQESA-N 2 0 235.356 1.336 20 0 BDADRP C[NH2+]CCCN1CCC[C@H]1C[NH+]1CCCC1 ZINC000435884188 201295787 /nfs/dbraw/zinc/29/57/87/201295787.db2.gz PDOCLXDRGOGNFX-ZDUSSCGKSA-N 2 0 225.380 1.156 20 0 BDADRP C[N@H+](CC[C@@H]1CCOC1)CC1CC[NH+](C)CC1 ZINC000438117160 201393324 /nfs/dbraw/zinc/39/33/24/201393324.db2.gz UWOQQHQXGZCFLI-CQSZACIVSA-N 2 0 240.391 1.687 20 0 BDADRP C[C@H]1CCCCN1CC[NH2+]CC[C@@H]1CCOC1 ZINC000438086032 201385630 /nfs/dbraw/zinc/38/56/30/201385630.db2.gz REHQRLSOJZORCI-UONOGXRCSA-N 2 0 240.391 1.877 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)[C@H](C)O ZINC000387339108 363838745 /nfs/dbraw/zinc/83/87/45/363838745.db2.gz SZEHUAJAMZBNPR-MMWGEVLESA-N 2 0 200.326 1.005 20 0 BDADRP [NH3+]CC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000237994389 181355515 /nfs/dbraw/zinc/35/55/15/181355515.db2.gz ORGJBYTYXJMASG-UHFFFAOYSA-N 2 0 247.342 1.570 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](CO)C2)[C@@H]2CCC[C@@H]21 ZINC000631670580 364203521 /nfs/dbraw/zinc/20/35/21/364203521.db2.gz BSZCCDXLUBVNHK-NDKCEZKHSA-N 2 0 238.375 1.220 20 0 BDADRP [NH3+]CC1(c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000071531994 181362639 /nfs/dbraw/zinc/36/26/39/181362639.db2.gz QXLCCZLMCFFXTQ-UHFFFAOYSA-N 2 0 224.735 1.920 20 0 BDADRP [NH3+]CC1CC[NH+](C2CCSCC2)CC1 ZINC000044512385 181365547 /nfs/dbraw/zinc/36/55/47/181365547.db2.gz UJJHGPJMDRQVBX-UHFFFAOYSA-N 2 0 214.378 1.553 20 0 BDADRP CCC[NH+]1CCC(N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000398996083 364666834 /nfs/dbraw/zinc/66/68/34/364666834.db2.gz PIQGKAZFZAXFHP-GXTWGEPZSA-N 2 0 239.407 1.591 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cncs1 ZINC000573305762 364793461 /nfs/dbraw/zinc/79/34/61/364793461.db2.gz SPYRRCKXCZDCSX-GJYTXDDASA-N 2 0 237.372 1.749 20 0 BDADRP CC[C@H]1C[N@H+](CCCc2cncn2C)CCO1 ZINC000573383332 364818462 /nfs/dbraw/zinc/81/84/62/364818462.db2.gz QWDLXHKFYQFETN-ZDUSSCGKSA-N 2 0 237.347 1.464 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000573567985 364864633 /nfs/dbraw/zinc/86/46/33/364864633.db2.gz SOSFTRCOQOBBOQ-MJVIPROJSA-N 2 0 249.358 1.103 20 0 BDADRP [NH3+]CCCC(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000367508278 181374060 /nfs/dbraw/zinc/37/40/60/181374060.db2.gz TVUOJXCBPMJUHC-UHFFFAOYSA-N 2 0 233.315 1.010 20 0 BDADRP [NH3+]CCCCCCC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000370019919 181375368 /nfs/dbraw/zinc/37/53/68/181375368.db2.gz MGVAPESDSCLZAH-GFCCVEGCSA-N 2 0 241.379 1.154 20 0 BDADRP [NH3+]CCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062031709 181379436 /nfs/dbraw/zinc/37/94/36/181379436.db2.gz YSSMGONAJQOKOB-UHFFFAOYSA-N 3 0 225.380 1.143 20 0 BDADRP CC(C)(CO)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250686008 541440140 /nfs/dbraw/zinc/44/01/40/541440140.db2.gz FHJANRABLLOVGM-RYUDHWBXSA-N 2 0 226.364 1.221 20 0 BDADRP CC1=CCN(CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000574339288 365041362 /nfs/dbraw/zinc/04/13/62/365041362.db2.gz OWCNBUKDWVTJKC-KGLIPLIRSA-N 2 0 237.391 1.498 20 0 BDADRP [NH3+]CCN(Cc1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC000342436865 181390798 /nfs/dbraw/zinc/39/07/98/181390798.db2.gz PSGNYBDLJWLVAD-OAHLLOKOSA-N 2 0 247.386 1.447 20 0 BDADRP [NH3+]CCN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000037039698 181392261 /nfs/dbraw/zinc/39/22/61/181392261.db2.gz VCQMPPXYHFFWJX-UHFFFAOYSA-N 2 0 233.359 1.153 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000574563095 365088646 /nfs/dbraw/zinc/08/86/46/365088646.db2.gz QEHLIVZRRSZRBC-BZPMIXESSA-N 2 0 239.407 1.304 20 0 BDADRP CC(C)Cn1cc(CN(C)CCC[NH3+])cn1 ZINC000574691132 365122820 /nfs/dbraw/zinc/12/28/20/365122820.db2.gz BGYAFVZJNNJTJJ-UHFFFAOYSA-N 2 0 224.352 1.320 20 0 BDADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H](C[NH3+])C(C)C ZINC000433133334 192984133 /nfs/dbraw/zinc/98/41/33/192984133.db2.gz ZASBDAXEFUOHQX-NEPJUHHUSA-N 2 0 243.395 1.049 20 0 BDADRP C[C@@H]1CC[N@H+](CCOCC[NH3+])[C@@H]2CCCC[C@H]12 ZINC000574811303 365146050 /nfs/dbraw/zinc/14/60/50/365146050.db2.gz GXXSCERLXBWQHL-MGPQQGTHSA-N 2 0 240.391 1.862 20 0 BDADRP CC(C)[C@H]([NH2+]CCCN1CC[NH2+]CC1)C1CC1 ZINC000575172904 365226478 /nfs/dbraw/zinc/22/64/78/365226478.db2.gz TYNJXZUHGVORKD-AWEZNQCLSA-N 2 0 239.407 1.306 20 0 BDADRP CC(C)[C@H](O)C1(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000575071801 365189242 /nfs/dbraw/zinc/18/92/42/365189242.db2.gz HQHTYQKNDDHBSS-XQQFMLRXSA-N 2 0 240.391 1.643 20 0 BDADRP C[C@@H]([NH3+])CCc1nc(C2([NH3+])CCCC2)no1 ZINC000575180074 365230059 /nfs/dbraw/zinc/23/00/59/365230059.db2.gz BDUSNQMJWGBUSF-MRVPVSSYSA-N 2 0 224.308 1.077 20 0 BDADRP COc1ccc(C[NH2+]C[C@@H](C)C[NH3+])c(F)c1 ZINC000575409962 365312684 /nfs/dbraw/zinc/31/26/84/365312684.db2.gz BUMOMWCTMXRMOA-VIFPVBQESA-N 2 0 226.295 1.519 20 0 BDADRP C[C@H](O)C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000575740594 365348170 /nfs/dbraw/zinc/34/81/70/365348170.db2.gz DDWMCUVGZXENSK-OLZOCXBDSA-N 2 0 228.380 1.469 20 0 BDADRP CC(C)[NH2+]CCCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000575859836 365387622 /nfs/dbraw/zinc/38/76/22/365387622.db2.gz VYQNOTKFXUWVOH-STQMWFEESA-N 2 0 227.396 1.624 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)C1 ZINC000575882026 365405147 /nfs/dbraw/zinc/40/51/47/365405147.db2.gz GJWVMTQVHASRCB-HTOAHKCRSA-N 2 0 238.375 1.804 20 0 BDADRP CC(C)[NH2+]CCCN[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000575980128 365432045 /nfs/dbraw/zinc/43/20/45/365432045.db2.gz UTHDCHIRKXVEBU-OCCSQVGLSA-N 2 0 239.407 1.447 20 0 BDADRP C[NH2+][C@@H](C)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000579614103 366909949 /nfs/dbraw/zinc/90/99/49/366909949.db2.gz QSAHFIXZWAHQBQ-BDAKNGLRSA-N 2 0 221.304 1.253 20 0 BDADRP CC[C@@H]([NH3+])C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000564943812 325830593 /nfs/dbraw/zinc/83/05/93/325830593.db2.gz QXULFWZDEVLAAP-BXKDBHETSA-N 2 0 235.331 1.060 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](CCCc2ccncc2)C1 ZINC000579713022 366989446 /nfs/dbraw/zinc/98/94/46/366989446.db2.gz WBRBRQQEZOFLIT-CQSZACIVSA-N 2 0 233.359 1.556 20 0 BDADRP CC[C@H](C)C[N@H+](CC)C[C@@H](O)CN(C)CC ZINC000380970784 367326946 /nfs/dbraw/zinc/32/69/46/367326946.db2.gz ALJTXPYELCAPPA-STQMWFEESA-N 2 0 230.396 1.667 20 0 BDADRP CC[NH+](CC)CCOCC[NH2+]CC1(F)CC1 ZINC000381739502 367453441 /nfs/dbraw/zinc/45/34/41/367453441.db2.gz OSAJWNYFDGTHDF-UHFFFAOYSA-N 2 0 232.343 1.437 20 0 BDADRP Cn1cncc1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000384584824 367702686 /nfs/dbraw/zinc/70/26/86/367702686.db2.gz UFGROKVLHAQAJL-PWSUYJOCSA-N 2 0 222.336 1.027 20 0 BDADRP CC(C)[NH2+]CCC[NH2+][C@@H]1CCO[C@H]1C ZINC000581661124 367661176 /nfs/dbraw/zinc/66/11/76/367661176.db2.gz NPBJOTWRYYVTCS-WDEREUQCSA-N 2 0 200.326 1.142 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@H](C)CCCO)CC1 ZINC000384329985 367685557 /nfs/dbraw/zinc/68/55/57/367685557.db2.gz AFIDSAKCRXXYEQ-GFCCVEGCSA-N 2 0 228.380 1.469 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000384545351 367698478 /nfs/dbraw/zinc/69/84/78/367698478.db2.gz HJMHFVRBNOCQAI-YIYPIFLZSA-N 2 0 242.407 1.713 20 0 BDADRP C[C@H](C[NH2+][C@@H]1C[C@@H](C)O[C@H]1C)C[NH+]1CCCC1 ZINC000384871277 367746957 /nfs/dbraw/zinc/74/69/57/367746957.db2.gz ILMAGUZIKLLHBZ-YIYPIFLZSA-N 2 0 240.391 1.874 20 0 BDADRP Cc1cnccc1C[NH2+]CCOCC[NH+](C)C ZINC000384953241 367764164 /nfs/dbraw/zinc/76/41/64/367764164.db2.gz MAPSWIWEFVCUFU-UHFFFAOYSA-N 2 0 237.347 1.058 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@H](C)O1 ZINC000385224284 367810875 /nfs/dbraw/zinc/81/08/75/367810875.db2.gz SXHNDPGLPRQNQY-ITGHMWBKSA-N 2 0 238.375 1.769 20 0 BDADRP C[C@H](CC(C)(C)O)[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000385248988 367813488 /nfs/dbraw/zinc/81/34/88/367813488.db2.gz WRVUTMPYGWPXAN-UMSGYPCISA-N 2 0 242.407 1.854 20 0 BDADRP CC[C@H]1C[N@H+](Cc2ccncc2C)CC[C@H]1[NH3+] ZINC000385057075 367780043 /nfs/dbraw/zinc/78/00/43/367780043.db2.gz SJIQACVGYOZINR-GXTWGEPZSA-N 2 0 233.359 1.949 20 0 BDADRP CCC[C@@](C)(O)C[NH2+]Cc1cnc(C)n1C ZINC000581737410 367801476 /nfs/dbraw/zinc/80/14/76/367801476.db2.gz HJYVKFFOLUMTMA-GFCCVEGCSA-N 2 0 225.336 1.369 20 0 BDADRP CCn1ccnc1CN[C@H]1CC[NH2+]CC1(C)C ZINC000385408508 367826285 /nfs/dbraw/zinc/82/62/85/367826285.db2.gz XWEJPGPPQSAYEB-NSHDSACASA-N 2 0 236.363 1.381 20 0 BDADRP OC[C@@H]([NH2+]C1CC[NH2+]CC1)C1CCCCC1 ZINC000386201356 367928580 /nfs/dbraw/zinc/92/85/80/367928580.db2.gz FRYSNIKDYIMECN-CYBMUJFWSA-N 2 0 226.364 1.269 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H](CO)C1CCCC1 ZINC000385986735 367892998 /nfs/dbraw/zinc/89/29/98/367892998.db2.gz IQVGLJRZIDQAJH-ZYHUDNBSSA-N 2 0 214.353 1.255 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386592536 367998735 /nfs/dbraw/zinc/99/87/35/367998735.db2.gz RTIQGVUEINFNPF-RWMBFGLXSA-N 2 0 228.380 1.515 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]C(C)(C)CO)CC1 ZINC000020196234 367968087 /nfs/dbraw/zinc/96/80/87/367968087.db2.gz OFIWALXQMGAYIO-UHFFFAOYSA-N 2 0 214.353 1.220 20 0 BDADRP C[C@H](NC[C@@H]1CCC[N@@H+]1C)[C@H]1CCCC[NH2+]1 ZINC000386430090 367970343 /nfs/dbraw/zinc/97/03/43/367970343.db2.gz LFZCXGQSDWFIDM-RWMBFGLXSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H]1CCC[C@@H]([NH2+]CCN2CC[NH2+]CC2)C1 ZINC000022792841 367986032 /nfs/dbraw/zinc/98/60/32/367986032.db2.gz SIFVZCGEGKAGEN-CHWSQXEVSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(CCO)CC1 ZINC000157511844 201578032 /nfs/dbraw/zinc/57/80/32/201578032.db2.gz ZQBIZMSSVQHFIV-UPJWGTAASA-N 2 0 240.391 1.467 20 0 BDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NCCC[NH+](C)C ZINC000387406331 368168242 /nfs/dbraw/zinc/16/82/42/368168242.db2.gz BSIWQJKLPITLOT-LLVKDONJSA-N 2 0 243.395 1.079 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000566423171 326044240 /nfs/dbraw/zinc/04/42/40/326044240.db2.gz BZAKABKPWMNPFX-WOPDTQHZSA-N 2 0 226.364 1.220 20 0 BDADRP CC[C@@H](CO)[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000164017742 202837318 /nfs/dbraw/zinc/83/73/18/202837318.db2.gz QTRHBJHFRCLFQJ-FRRDWIJNSA-N 2 0 228.380 1.658 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCc2ccccn2)C1 ZINC000086401859 368878559 /nfs/dbraw/zinc/87/85/59/368878559.db2.gz YEAISPSFPMKMBW-YPMHNXCESA-N 2 0 219.332 1.484 20 0 BDADRP Cc1cccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])n1 ZINC000084221393 368850350 /nfs/dbraw/zinc/85/03/50/368850350.db2.gz CYTHITXDDPYERM-AAEUAGOBSA-N 2 0 219.332 1.607 20 0 BDADRP Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000084221378 368850494 /nfs/dbraw/zinc/85/04/94/368850494.db2.gz CYTHITXDDPYERM-DGCLKSJQSA-N 2 0 219.332 1.607 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H]2CCO[C@@H]2C)C1 ZINC000631821747 368974412 /nfs/dbraw/zinc/97/44/12/368974412.db2.gz HYNWUVIMRGDYNC-LOWDOPEQSA-N 2 0 226.364 1.471 20 0 BDADRP Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])n1 ZINC000089146012 368937010 /nfs/dbraw/zinc/93/70/10/368937010.db2.gz ATDCZOSMPKOIAN-GXTWGEPZSA-N 2 0 233.359 1.997 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)[C@@H](C)O1 ZINC000623657133 368997304 /nfs/dbraw/zinc/99/73/04/368997304.db2.gz KIPXFXNWIXXATD-MQYQWHSLSA-N 2 0 240.391 1.874 20 0 BDADRP C[N@@H+]1CCCC[C@@H](C[NH2+]CC2(C)COC2)C1 ZINC000623657120 368998163 /nfs/dbraw/zinc/99/81/63/368998163.db2.gz KBUIMCWZGVFGOO-LBPRGKRZSA-N 2 0 226.364 1.344 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)CO1 ZINC000623657773 368999013 /nfs/dbraw/zinc/99/90/13/368999013.db2.gz YRGAZRNQCVHIRL-MGPQQGTHSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccn(C)c2)C1 ZINC000091008695 369004308 /nfs/dbraw/zinc/00/43/08/369004308.db2.gz ZGHOHYFWQIXYOJ-AWEZNQCLSA-N 2 0 235.375 1.845 20 0 BDADRP C[NH+](C)CC(C)(C)NCC[C@H]1CCC[N@@H+]1C ZINC000459551564 203299682 /nfs/dbraw/zinc/29/96/82/203299682.db2.gz SFUWGQBPACLPQI-GFCCVEGCSA-N 2 0 227.396 1.401 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000459631824 203322986 /nfs/dbraw/zinc/32/29/86/203322986.db2.gz KSEZDVZKHZGETA-MQYQWHSLSA-N 2 0 238.375 1.770 20 0 BDADRP COC(=O)C(C)(C)CC[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000567748232 326255065 /nfs/dbraw/zinc/25/50/65/326255065.db2.gz OLZJTPSJOFXCSV-WDEREUQCSA-N 2 0 242.363 1.387 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CN1CCCC1CC[NH2+]CC1 ZINC000631861732 369469871 /nfs/dbraw/zinc/46/98/71/369469871.db2.gz HZGRMGKPHJJMHK-DGCLKSJQSA-N 2 0 225.380 1.188 20 0 BDADRP C[N@@H+]1CCC[C@@H](CC[NH2+]CC[C@@H]2CCOC2)C1 ZINC000459724300 203342468 /nfs/dbraw/zinc/34/24/68/203342468.db2.gz ALLLOZSGJHVWKI-UONOGXRCSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CN1CCc1noc2ccccc21 ZINC000631862073 369474874 /nfs/dbraw/zinc/47/48/74/369474874.db2.gz LBINYFDVJVYGLQ-MNOVXSKESA-N 2 0 245.326 1.792 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459779862 203364501 /nfs/dbraw/zinc/36/45/01/203364501.db2.gz LPVDOCLZKRNAAV-MCIONIFRSA-N 2 0 240.391 1.733 20 0 BDADRP COCC(C)(C)C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459777265 203364550 /nfs/dbraw/zinc/36/45/50/203364550.db2.gz KKYSRTDXPPQIDA-ZDUSSCGKSA-N 2 0 242.407 1.981 20 0 BDADRP COCC(C)(C)C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459777264 203365204 /nfs/dbraw/zinc/36/52/04/203365204.db2.gz KKYSRTDXPPQIDA-CYBMUJFWSA-N 2 0 242.407 1.981 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@H]2CCCOC2)C1 ZINC000459744741 203350578 /nfs/dbraw/zinc/35/05/78/203350578.db2.gz XTLUFZMAESMYOS-ZIAGYGMSSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C(=O)NCCCC[NH3+])cc1 ZINC000567839864 326267860 /nfs/dbraw/zinc/26/78/60/326267860.db2.gz UBXHNVMQSAYKFP-SNVBAGLBSA-N 2 0 235.331 1.175 20 0 BDADRP C[C@@H]1COCC[C@H]1[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459779868 203366437 /nfs/dbraw/zinc/36/64/37/203366437.db2.gz LPVDOCLZKRNAAV-MGPQQGTHSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000631862350 369519710 /nfs/dbraw/zinc/51/97/10/369519710.db2.gz OFUKAGVAAZEESD-ABAIWWIYSA-N 3 0 245.370 1.254 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)[C@@H]1CCOC1 ZINC000459794886 203369489 /nfs/dbraw/zinc/36/94/89/203369489.db2.gz UVRQVLFAZZZKNE-BFHYXJOUSA-N 2 0 240.391 1.733 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C(C)(C)C)C1 ZINC000310429549 370344217 /nfs/dbraw/zinc/34/42/17/370344217.db2.gz SJGSUOZXGQQXHS-QWHCGFSZSA-N 2 0 242.407 1.667 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H](CO)C2)C1 ZINC000568295338 326343061 /nfs/dbraw/zinc/34/30/61/326343061.db2.gz YMBVTIMQPGHXTD-RHYQMDGZSA-N 2 0 212.337 1.007 20 0 BDADRP [NH3+][C@@]12CCC[C@H]1C[N@H+](CC1CC=CC1)C2 ZINC000621784503 370536194 /nfs/dbraw/zinc/53/61/94/370536194.db2.gz PWFDQAXUOMBWNB-QWHCGFSZSA-N 2 0 206.333 1.766 20 0 BDADRP CC[NH+](CC)CCCN1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621784838 370538419 /nfs/dbraw/zinc/53/84/19/370538419.db2.gz VTMGEUJASONDFA-UONOGXRCSA-N 2 0 239.407 1.532 20 0 BDADRP CCn1nccc1CC[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000621774665 370521575 /nfs/dbraw/zinc/52/15/75/370521575.db2.gz ZWJULQJOVJFNLR-AAEUAGOBSA-N 2 0 236.363 1.115 20 0 BDADRP [NH3+][C@@]12CCC[C@@H]1CN(Cc1ccccn1)C2 ZINC000621781665 370529969 /nfs/dbraw/zinc/52/99/69/370529969.db2.gz HPBUCGGWOUIDEE-DGCLKSJQSA-N 2 0 217.316 1.395 20 0 BDADRP CO[C@H](C[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1)C1CCC1 ZINC000621783442 370534165 /nfs/dbraw/zinc/53/41/65/370534165.db2.gz BLEFTWCKCUWDOQ-MCIONIFRSA-N 2 0 238.375 1.615 20 0 BDADRP [NH3+][C@]12CCC[C@H]1C[N@H+](CCCCCF)C2 ZINC000621784036 370535439 /nfs/dbraw/zinc/53/54/39/370535439.db2.gz IQQOOCCWWKJPGW-RYUDHWBXSA-N 2 0 214.328 1.939 20 0 BDADRP O[C@H]1CCN(CC[NH2+]C2CCC(F)(F)CC2)C1 ZINC000623838513 371121834 /nfs/dbraw/zinc/12/18/34/371121834.db2.gz ZQHDFMAQALHVOS-NSHDSACASA-N 2 0 248.317 1.221 20 0 BDADRP CCCC[NH+](CCCC)CCN1CC[NH2+]CC1 ZINC000037632030 168806468 /nfs/dbraw/zinc/80/64/68/168806468.db2.gz MKBFGCNOCZHQRT-UHFFFAOYSA-N 2 0 241.423 1.794 20 0 BDADRP C[C@H](CCCCO)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624122165 371322839 /nfs/dbraw/zinc/32/28/39/371322839.db2.gz LIXDBDKMRTXLPI-ZIAGYGMSSA-N 2 0 242.407 1.859 20 0 BDADRP O[C@@H]1CCN(CC[NH2+][C@@H]2CC[C@@H]2C2CCC2)C1 ZINC000624230851 371418727 /nfs/dbraw/zinc/41/87/27/371418727.db2.gz JGEXREUWFVTGER-MGPQQGTHSA-N 2 0 238.375 1.221 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+]C2CC[NH+](C(C)C)CC2)C1 ZINC000624308719 371472010 /nfs/dbraw/zinc/47/20/10/371472010.db2.gz VOUCIUZLDIXIMA-XBXGTLAGSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000631823865 372602023 /nfs/dbraw/zinc/60/20/23/372602023.db2.gz PMOQNGJMNMKDAO-RWMBFGLXSA-N 2 0 224.348 1.097 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](Cc2cccc3c2CCOC3)C1 ZINC000631820490 372593774 /nfs/dbraw/zinc/59/37/74/372593774.db2.gz AXGGHBKZSJJKOF-LBPRGKRZSA-N 2 0 246.354 1.540 20 0 BDADRP C[C@H]1OCC[C@@H]1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000631826349 372606496 /nfs/dbraw/zinc/60/64/96/372606496.db2.gz LJBNANBEKHBWLU-YIYPIFLZSA-N 2 0 238.375 1.343 20 0 BDADRP C[C@H]1OCC[C@H]1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000631828449 372608824 /nfs/dbraw/zinc/60/88/24/372608824.db2.gz PGVHPCOJPVSGSX-FVCCEPFGSA-N 2 0 226.364 1.328 20 0 BDADRP FCCC1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000631837219 372627911 /nfs/dbraw/zinc/62/79/11/372627911.db2.gz PFBJJHMDKGWHMK-LBPRGKRZSA-N 2 0 214.328 1.668 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccccc2N(C)C)C[C@H]1C[NH3+] ZINC000631838186 372631437 /nfs/dbraw/zinc/63/14/37/372631437.db2.gz KHLFIITZNQJKLN-GXTWGEPZSA-N 2 0 247.386 1.779 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000631825663 372604523 /nfs/dbraw/zinc/60/45/23/372604523.db2.gz PRYDAARSQUYYAD-RWMBFGLXSA-N 2 0 226.364 1.472 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H]2CCO[C@H]2C)CC[C@H]1[NH3+] ZINC000631824807 372604596 /nfs/dbraw/zinc/60/45/96/372604596.db2.gz QTTPCWQSEHPCJK-QNWHQSFQSA-N 2 0 226.364 1.471 20 0 BDADRP CC(C)=CCC[NH+]1CCC([NH2+]CCO)CC1 ZINC000631861642 372663127 /nfs/dbraw/zinc/66/31/27/372663127.db2.gz GGYNQROEAREHAC-UHFFFAOYSA-N 2 0 226.364 1.389 20 0 BDADRP OCC[NH2+]C1CC[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000631862975 372664590 /nfs/dbraw/zinc/66/45/90/372664590.db2.gz VRQLLUBXTOJSKN-CLLJXQQHSA-N 2 0 238.375 1.079 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000631873218 372674674 /nfs/dbraw/zinc/67/46/74/372674674.db2.gz MVCIGTDVFCQQIO-CQSZACIVSA-N 2 0 240.391 1.864 20 0 BDADRP C[C@@H]([NH2+]CCCC[NH+]1CCOCC1)C1CCC1 ZINC000178114332 134306454 /nfs/dbraw/zinc/30/64/54/134306454.db2.gz LIQIIALFBFRATO-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CC12CC2 ZINC000424328846 206036907 /nfs/dbraw/zinc/03/69/07/206036907.db2.gz RACFKRABAYWVRL-DDHJBXDOSA-N 2 0 208.349 1.857 20 0 BDADRP C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)[C@H]1CCCC[NH2+]1 ZINC000424381372 206038923 /nfs/dbraw/zinc/03/89/23/206038923.db2.gz QSESBEREOPLHAC-UJPOAAIJSA-N 2 0 208.349 1.905 20 0 BDADRP OCCCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363413930 183051628 /nfs/dbraw/zinc/05/16/28/183051628.db2.gz ITQXSVLRZJEIJO-MCIONIFRSA-N 2 0 238.375 1.175 20 0 BDADRP O[C@@H](C[NH2+]CC1CCCCC1)C[NH+]1CCCC1 ZINC000037859705 183179631 /nfs/dbraw/zinc/17/96/31/183179631.db2.gz XQSHYEQLKNDJEV-AWEZNQCLSA-N 2 0 240.391 1.613 20 0 BDADRP CCC[N@H+](C)CC(=O)NCC[NH+](C)[C@@H](C)CC ZINC000359267308 169071245 /nfs/dbraw/zinc/07/12/45/169071245.db2.gz VEYDCPJQSFRFDR-LBPRGKRZSA-N 2 0 243.395 1.175 20 0 BDADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH+](CC)CC ZINC000359248230 169073625 /nfs/dbraw/zinc/07/36/25/169073625.db2.gz HAKRKFSDSFKWBV-LBPRGKRZSA-N 2 0 243.395 1.175 20 0 BDADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCCCO)C1 ZINC000304548363 169079187 /nfs/dbraw/zinc/07/91/87/169079187.db2.gz BUUMIHPZQYMYPI-ZDUSSCGKSA-N 2 0 228.380 1.423 20 0 BDADRP CCC[N@@H+](CC(=O)OCC)CC1CC[NH2+]CC1 ZINC000094025640 169101575 /nfs/dbraw/zinc/10/15/75/169101575.db2.gz WKYDGHQCPDFOLV-UHFFFAOYSA-N 2 0 242.363 1.261 20 0 BDADRP CCCN(CCC1CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC000359211046 169154110 /nfs/dbraw/zinc/15/41/10/169154110.db2.gz FJSBFVGRYOMAMO-CQSZACIVSA-N 2 0 239.407 1.450 20 0 BDADRP CCC[N@H+](CCCOC)C1CC[NH2+]CC1 ZINC000037754224 169156988 /nfs/dbraw/zinc/15/69/88/169156988.db2.gz BDUVDFAGEPTDRZ-UHFFFAOYSA-N 2 0 214.353 1.487 20 0 BDADRP CCC[NH+]1CCC([N@H+](C)C[C@H]2CCCO2)CC1 ZINC000111240983 169186202 /nfs/dbraw/zinc/18/62/02/169186202.db2.gz DVYYPGBJYYDDAJ-CQSZACIVSA-N 2 0 240.391 1.972 20 0 BDADRP CCC[NH+]1CCC(NC[C@@H](C)[NH+](C)C)CC1 ZINC000038089002 169188156 /nfs/dbraw/zinc/18/81/56/169188156.db2.gz MMPQYBSAECUXMZ-GFCCVEGCSA-N 2 0 227.396 1.401 20 0 BDADRP CCC[NH+]1CCC(NC[C@H]2CCC[NH2+]C2)CC1 ZINC000132029775 169188249 /nfs/dbraw/zinc/18/82/49/169188249.db2.gz LGINVAAJUQMZOZ-ZDUSSCGKSA-N 2 0 239.407 1.450 20 0 BDADRP CCC[NH+]1CCC(N[C@H](C)CC[NH+](C)C)CC1 ZINC000049551870 169189600 /nfs/dbraw/zinc/18/96/00/169189600.db2.gz BXESLJQZCXZUQI-CYBMUJFWSA-N 2 0 241.423 1.791 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H](C)CCO)CC1 ZINC000122775011 169189697 /nfs/dbraw/zinc/18/96/97/169189697.db2.gz AGDXJSINQWNBRV-NSHDSACASA-N 2 0 214.353 1.221 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@H]2C[C@@H]2C)C1 ZINC000336764433 169208613 /nfs/dbraw/zinc/20/86/13/169208613.db2.gz PXSSUWJPSMANDS-YNEHKIRRSA-N 2 0 210.365 1.964 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccn(C)c2)C1 ZINC000124197167 169209094 /nfs/dbraw/zinc/20/90/94/169209094.db2.gz OYVVHHFJBPSCIO-CQSZACIVSA-N 2 0 235.375 1.847 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000295310920 169284709 /nfs/dbraw/zinc/28/47/09/169284709.db2.gz YJJJNLZCIPVIBP-YPMHNXCESA-N 2 0 249.358 1.191 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000295188064 169285320 /nfs/dbraw/zinc/28/53/20/169285320.db2.gz WVJZSXQGWUCAMJ-SNVBAGLBSA-N 2 0 235.331 1.472 20 0 BDADRP CCC[C@@H](CC)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000336744409 169378090 /nfs/dbraw/zinc/37/80/90/169378090.db2.gz UWLSNDUIOKYVCT-GFCCVEGCSA-N 2 0 228.380 1.611 20 0 BDADRP C[NH2+]CCC[N@H+](C)C[C@H]1CCC(F)(F)C1 ZINC000301004577 383829921 /nfs/dbraw/zinc/82/99/21/383829921.db2.gz WLXWNGDPFYOGNM-JTQLQIEISA-N 2 0 220.307 1.963 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000336420610 383832431 /nfs/dbraw/zinc/83/24/31/383832431.db2.gz WPWOAJWJVJIADI-FZMZJTMJSA-N 2 0 238.375 1.770 20 0 BDADRP COC[C@H](C)[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000069625319 383833183 /nfs/dbraw/zinc/83/31/83/383833183.db2.gz XDOZWAILWWGCNJ-VHSXEESVSA-N 2 0 200.326 1.081 20 0 BDADRP CCOCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000036908717 383921777 /nfs/dbraw/zinc/92/17/77/383921777.db2.gz BOMXMNITEGNHQL-SDDRHHMPSA-N 2 0 214.353 1.341 20 0 BDADRP COC[C@H](C)C[NH2+]CCC[N@H+](C)C(C)C ZINC000220565419 383882618 /nfs/dbraw/zinc/88/26/18/383882618.db2.gz BAKNOOMEROTBOI-GFCCVEGCSA-N 2 0 216.369 1.589 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H](CC)[C@H](O)CC)CC1 ZINC000313116991 383900590 /nfs/dbraw/zinc/90/05/90/383900590.db2.gz QVNDYGQQLRRZJD-UONOGXRCSA-N 2 0 242.407 2.000 20 0 BDADRP CC[NH2+][C@H](C)CNC(=O)[C@H]([NH3+])c1ccccc1C ZINC000449505374 383980018 /nfs/dbraw/zinc/98/00/18/383980018.db2.gz XDARQKZEIFYLBG-DGCLKSJQSA-N 2 0 249.358 1.109 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000518515547 383974204 /nfs/dbraw/zinc/97/42/04/383974204.db2.gz BSVGLIXLEWNVFT-NELGMTEASA-N 3 0 239.407 1.719 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643545783 384014533 /nfs/dbraw/zinc/01/45/33/384014533.db2.gz CGPCTHDVJFXODK-UTUOFQBUSA-N 2 0 226.364 1.674 20 0 BDADRP CCOC[C@H]1CCCC[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000313216733 384054060 /nfs/dbraw/zinc/05/40/60/384054060.db2.gz RSTMMMSNHRYIDJ-ZIAGYGMSSA-N 2 0 240.391 1.877 20 0 BDADRP CC(C)[C@H](O)CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000569503111 384135966 /nfs/dbraw/zinc/13/59/66/384135966.db2.gz NUIYAPVASXGNNK-IJLUTSLNSA-N 2 0 214.353 1.253 20 0 BDADRP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)CCC(C)(C)[NH3+] ZINC000648136543 384155993 /nfs/dbraw/zinc/15/59/93/384155993.db2.gz SYPKUNIVEPSLAH-SCVCMEIPSA-N 2 0 241.379 1.007 20 0 BDADRP CC(C)([NH3+])CCC(=O)NC(C)(C)CCC[NH3+] ZINC000648141524 384171438 /nfs/dbraw/zinc/17/14/38/384171438.db2.gz XJBQSVJAEIVGEU-UHFFFAOYSA-N 2 0 229.368 1.138 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCOc2ccccc2)C1 ZINC000163205738 384164460 /nfs/dbraw/zinc/16/44/60/384164460.db2.gz UWJSIAYIXWCVSO-CHWSQXEVSA-N 2 0 234.343 1.735 20 0 BDADRP CCOCC[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000082474952 384232115 /nfs/dbraw/zinc/23/21/15/384232115.db2.gz UJEDGHXEWSSBBQ-SNVBAGLBSA-N 2 0 200.326 1.082 20 0 BDADRP COC1(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)CCCC1 ZINC000319239329 384222438 /nfs/dbraw/zinc/22/24/38/384222438.db2.gz WKJJVQOZZTUGCY-RYUDHWBXSA-N 2 0 226.364 1.615 20 0 BDADRP COC1(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)CCCC1 ZINC000319239327 384222522 /nfs/dbraw/zinc/22/25/22/384222522.db2.gz WKJJVQOZZTUGCY-NEPJUHHUSA-N 2 0 226.364 1.615 20 0 BDADRP CCOCC[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000082474953 384229867 /nfs/dbraw/zinc/22/98/67/384229867.db2.gz UJEDGHXEWSSBBQ-JTQLQIEISA-N 2 0 200.326 1.082 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCC[NH+]2CCCC2)CO1 ZINC000401909515 384246364 /nfs/dbraw/zinc/24/63/64/384246364.db2.gz VWQFWHIFIKIBBB-RYUDHWBXSA-N 2 0 212.337 1.239 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@H+](CC2(OC)CCCC2)C1 ZINC000319461189 384251128 /nfs/dbraw/zinc/25/11/28/384251128.db2.gz OZHIJWLRROJZPT-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C1CC[NH+](C)CC1 ZINC000644166654 384256712 /nfs/dbraw/zinc/25/67/12/384256712.db2.gz LABWNFWGHYKIRN-MRVWCRGKSA-N 3 0 239.407 1.576 20 0 BDADRP COC[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000173778231 384259714 /nfs/dbraw/zinc/25/97/14/384259714.db2.gz YTEHTAJESPWLGV-NWDGAFQWSA-N 2 0 230.396 1.977 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccn3)C[C@H]21 ZINC000228476856 384259668 /nfs/dbraw/zinc/25/96/68/384259668.db2.gz IOIASFWPGKIWHX-IACUBPJLSA-N 2 0 231.343 1.641 20 0 BDADRP C[C@H](C[N@@H+]1CCCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000313345221 384272423 /nfs/dbraw/zinc/27/24/23/384272423.db2.gz FFUOYEDQWSYOMJ-HIFRSBDPSA-N 2 0 248.370 1.840 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCSC2)C1 ZINC000228552421 384276636 /nfs/dbraw/zinc/27/66/36/384276636.db2.gz LDITTWBDXHXOMJ-HBNTYKKESA-N 2 0 214.378 1.599 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCCOC)C1 ZINC000173890204 384278826 /nfs/dbraw/zinc/27/88/26/384278826.db2.gz AYRVSWKYAIPKJR-LBPRGKRZSA-N 2 0 214.353 1.297 20 0 BDADRP CCOC[C@@H]([NH2+][C@H](C)CCC[NH3+])C(C)C ZINC000308797468 384292635 /nfs/dbraw/zinc/29/26/35/384292635.db2.gz CTYAONIPLUHMOX-VXGBXAGGSA-N 2 0 216.369 1.765 20 0 BDADRP Cc1ncsc1CC[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000405445099 384341159 /nfs/dbraw/zinc/34/11/59/384341159.db2.gz FLPXLTOBSMARBR-WDEREUQCSA-N 2 0 239.388 1.709 20 0 BDADRP Cc1ccc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)cn1 ZINC000228858819 384346518 /nfs/dbraw/zinc/34/65/18/384346518.db2.gz UYWHNJYQXAGSIS-CYBMUJFWSA-N 2 0 233.359 1.951 20 0 BDADRP COCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075834861 384357563 /nfs/dbraw/zinc/35/75/63/384357563.db2.gz KSBYXGBGLKGLHD-ZDUSSCGKSA-N 2 0 226.364 1.441 20 0 BDADRP CC1(C)[C@H]([NH2+]CCOCC(F)(F)F)C[C@@H]1[NH3+] ZINC000405479348 384368946 /nfs/dbraw/zinc/36/89/46/384368946.db2.gz MTCHZHMVAIYMKW-JGVFFNPUSA-N 2 0 240.269 1.281 20 0 BDADRP CC[C@H](O)C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000566105911 384451238 /nfs/dbraw/zinc/45/12/38/384451238.db2.gz AWRUXZJIHSGQCN-KBPBESRZSA-N 2 0 242.407 1.859 20 0 BDADRP Cc1cc(N2CC[C@@H](C)[C@@H](C[NH3+])C2)cc[nH+]1 ZINC000229096527 384432243 /nfs/dbraw/zinc/43/22/43/384432243.db2.gz NQVSSLBPNWYOEW-PWSUYJOCSA-N 2 0 219.332 1.811 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CO[C@H](C)C2)C1 ZINC000647175053 384470767 /nfs/dbraw/zinc/47/07/67/384470767.db2.gz VULXZARSXZTNAU-UPJWGTAASA-N 2 0 226.364 1.485 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](C[C@@H]2CCSC2)C1 ZINC000224609844 384478082 /nfs/dbraw/zinc/47/80/82/384478082.db2.gz ALGJTEJIFNXTPV-QWRGUYRKSA-N 2 0 214.378 1.410 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)cc1 ZINC000648146615 384489939 /nfs/dbraw/zinc/48/99/39/384489939.db2.gz VABLELQSPNIHMN-RTXFEEFZSA-N 2 0 245.326 1.095 20 0 BDADRP CCN(C)CC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000306052616 384513620 /nfs/dbraw/zinc/51/36/20/384513620.db2.gz UJMOZJFNPYYDAG-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP COCCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150816003 384514017 /nfs/dbraw/zinc/51/40/17/384514017.db2.gz NMMFYUSTYJQVJU-ZDUSSCGKSA-N 2 0 226.364 1.441 20 0 BDADRP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCOC1)N(C)C1CC1 ZINC000356871710 384518444 /nfs/dbraw/zinc/51/84/44/384518444.db2.gz OVIRGLUIAUBKJZ-RWMBFGLXSA-N 2 0 240.391 1.874 20 0 BDADRP OCCCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000304299433 384524686 /nfs/dbraw/zinc/52/46/86/384524686.db2.gz OBNIPUTXABKPBX-ZDUSSCGKSA-N 2 0 226.364 1.177 20 0 BDADRP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCSC1 ZINC000019905702 384557015 /nfs/dbraw/zinc/55/70/15/384557015.db2.gz COTSYCYYSFPHOT-SNVBAGLBSA-N 2 0 216.394 1.669 20 0 BDADRP Cn1ccc(C[NH2+]CCCC[NH+](C)C)c1 ZINC000085604124 384539288 /nfs/dbraw/zinc/53/92/88/384539288.db2.gz DTWAHJHUFIFSFX-UHFFFAOYSA-N 2 0 209.337 1.457 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](CCCF)C1 ZINC000151431432 384574065 /nfs/dbraw/zinc/57/40/65/384574065.db2.gz NKQFPPZYPPPWKR-LLVKDONJSA-N 2 0 202.317 1.620 20 0 BDADRP CC[NH+](CC)CC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000236837588 384588564 /nfs/dbraw/zinc/58/85/64/384588564.db2.gz RPEDGLGBBYICMC-RYUDHWBXSA-N 2 0 241.379 1.057 20 0 BDADRP Cc1cccc(CC[NH2+][C@@H](C)C[C@@H](C)[NH3+])n1 ZINC000423090697 384565078 /nfs/dbraw/zinc/56/50/78/384565078.db2.gz YGIXQSNCALWCDJ-PWSUYJOCSA-N 2 0 221.348 1.648 20 0 BDADRP Cc1cccc(CC[NH2+][C@H]2CC[NH2+]CC[C@H]2C)n1 ZINC000423085691 384566871 /nfs/dbraw/zinc/56/68/71/384566871.db2.gz LFDWMKZLRQDSCJ-DOMZBBRYSA-N 2 0 247.386 1.910 20 0 BDADRP C[N@H+](CCOCC[NH3+])C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403226976 384606422 /nfs/dbraw/zinc/60/64/22/384606422.db2.gz XDXZIGVZCFBHKB-FRRDWIJNSA-N 2 0 226.364 1.330 20 0 BDADRP COC[C@H](C)[N@H+]1C[C@@H]2[C@H]3CCCC[NH+]3C[C@H]2C1 ZINC000363577287 384620766 /nfs/dbraw/zinc/62/07/66/384620766.db2.gz LEJUNQAWCAAGMS-XDQVBPFNSA-N 2 0 238.375 1.437 20 0 BDADRP C[N@H+](CCOCC[NH3+])CCC(C)(C)C1CC1 ZINC000405953776 384602056 /nfs/dbraw/zinc/60/20/56/384602056.db2.gz INNUWVSEZBPABI-UHFFFAOYSA-N 2 0 228.380 1.720 20 0 BDADRP CO[C@H]1CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000647538543 384665988 /nfs/dbraw/zinc/66/59/88/384665988.db2.gz XCHZEAIXLDRNOK-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H]1C[C@H](CN2CC[C@H]3CC[NH2+][C@@H]3C2)CC[NH2+]1 ZINC000647534439 384646596 /nfs/dbraw/zinc/64/65/96/384646596.db2.gz NLYSCCGWGGVITR-AAVRWANBSA-N 2 0 237.391 1.058 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000647537013 384656182 /nfs/dbraw/zinc/65/61/82/384656182.db2.gz AEVHZAQEVJXPFF-KGLIPLIRSA-N 2 0 239.407 1.435 20 0 BDADRP CC(C)[C@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000104138845 384657416 /nfs/dbraw/zinc/65/74/16/384657416.db2.gz QFGCXQSITLOXTJ-ZDUSSCGKSA-N 2 0 241.423 1.647 20 0 BDADRP C[N@H+](CCCCCO)CC1CC[NH2+]CC1 ZINC000086702704 384678741 /nfs/dbraw/zinc/67/87/41/384678741.db2.gz QGVPQCXSRXHONN-UHFFFAOYSA-N 2 0 214.353 1.080 20 0 BDADRP CCOC(=O)CC[N@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000173525682 384687493 /nfs/dbraw/zinc/68/74/93/384687493.db2.gz QLYVITMIJBGUAO-NEPJUHHUSA-N 2 0 242.363 1.354 20 0 BDADRP C[C@H](O)CCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000300364879 384698343 /nfs/dbraw/zinc/69/83/43/384698343.db2.gz HWPDECDKAHVVJU-ZDEQEGDKSA-N 2 0 228.380 1.466 20 0 BDADRP COC[C@H](C)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000647542048 384702571 /nfs/dbraw/zinc/70/25/71/384702571.db2.gz KPHBBYDTGOEOMM-OCCSQVGLSA-N 2 0 240.391 1.590 20 0 BDADRP CCN1CCC([NH2+][C@@H]2CO[C@@H](C)C2)CC1 ZINC000335424662 384707033 /nfs/dbraw/zinc/70/70/33/384707033.db2.gz GLTNCYRMIYWLQK-JQWIXIFHSA-N 2 0 212.337 1.238 20 0 BDADRP CC[NH+](CC)CCNC(=[NH2+])Nc1ccccc1 ZINC000052046701 384714218 /nfs/dbraw/zinc/71/42/18/384714218.db2.gz DCASHEBKRJOWBE-UHFFFAOYSA-N 2 0 234.347 1.965 20 0 BDADRP C[NH+](C)CCC[NH2+]C/C=C\c1ccncc1 ZINC000309916680 384719478 /nfs/dbraw/zinc/71/94/78/384719478.db2.gz PUCGHDWIWGRETH-HYXAFXHYSA-N 2 0 219.332 1.636 20 0 BDADRP C[N@@H+]1CC[C@@H](NCCC[NH3+])C[C@H]1c1ccccc1 ZINC000423187678 384720204 /nfs/dbraw/zinc/72/02/04/384720204.db2.gz LFBJXKYSXWWKCT-CABCVRRESA-N 3 0 247.386 1.760 20 0 BDADRP C[C@H]1CC[NH2+]C[C@@H]1NCc1ccc2c[nH]nc2c1 ZINC000518131187 384721366 /nfs/dbraw/zinc/72/13/66/384721366.db2.gz VVAGMTSNVCYYKE-HZMBPMFUSA-N 2 0 244.342 1.651 20 0 BDADRP CC(C)C[C@H](CN)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647546162 384730614 /nfs/dbraw/zinc/73/06/14/384730614.db2.gz BVJQFDNQDXTROZ-REWJHTLYSA-N 2 0 239.407 1.338 20 0 BDADRP CCC([NH3+])(CC)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647546236 384731664 /nfs/dbraw/zinc/73/16/64/384731664.db2.gz GLDRAKBMGBRFKC-JHJVBQTASA-N 3 0 239.407 1.482 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(N)nc1 ZINC000647546895 384733580 /nfs/dbraw/zinc/73/35/80/384733580.db2.gz GFCHCUDAXGBDKO-SNVBAGLBSA-N 2 0 222.336 1.101 20 0 BDADRP C1[NH2+]C[C@H]2C[C@H]([NH2+][C@@H]3CCC[NH2+]CC3)CC[C@H]12 ZINC000647547074 384736797 /nfs/dbraw/zinc/73/67/97/384736797.db2.gz MPQZVKWPMLBTQB-AAVRWANBSA-N 3 0 237.391 1.106 20 0 BDADRP CCOCCC[NH2+][C@H](C)CCCC[NH3+] ZINC000308472385 384739416 /nfs/dbraw/zinc/73/94/16/384739416.db2.gz CGYHWWMBVYNMSL-LLVKDONJSA-N 2 0 202.342 1.520 20 0 BDADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647548036 384749587 /nfs/dbraw/zinc/74/95/87/384749587.db2.gz SIGFSNGWRCSPLP-PEBLQZBPSA-N 3 0 237.391 1.092 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647547974 384750292 /nfs/dbraw/zinc/75/02/92/384750292.db2.gz PVEMUZNETBMGDM-MROQNXINSA-N 3 0 225.380 1.092 20 0 BDADRP C1CC2(C1)C[C@@H](N[C@H]1CCC[NH2+]C1)CC[NH2+]2 ZINC000647547822 384751228 /nfs/dbraw/zinc/75/12/28/384751228.db2.gz GMNMFDBCGOAMJI-RYUDHWBXSA-N 2 0 223.364 1.003 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cnc2ccccn12 ZINC000647552485 384760701 /nfs/dbraw/zinc/76/07/01/384760701.db2.gz AYYKXYARLZRLIU-QWRGUYRKSA-N 2 0 232.331 1.550 20 0 BDADRP C[C@@H]1CC2(C[N@@H+]1CCC[NH3+])CCOCC2 ZINC000647553102 384764044 /nfs/dbraw/zinc/76/40/44/384764044.db2.gz AZFFCUFVKWZNRK-LLVKDONJSA-N 2 0 212.337 1.226 20 0 BDADRP C[C@@H]1C[C@H]1C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000647553670 384768286 /nfs/dbraw/zinc/76/82/86/384768286.db2.gz GQUJKXPNVNAOBV-WOPDTQHZSA-N 2 0 208.349 1.907 20 0 BDADRP C(C[C@H]1CCOC1)[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000647553585 384769435 /nfs/dbraw/zinc/76/94/35/384769435.db2.gz DHZILZVEUXDHKZ-QWHCGFSZSA-N 2 0 238.375 1.677 20 0 BDADRP Cc1cccc2nc(CC[NH2+]CCC[NH3+])cn21 ZINC000647554309 384772586 /nfs/dbraw/zinc/77/25/86/384772586.db2.gz WKEDLHVRKADHGO-UHFFFAOYSA-N 2 0 232.331 1.124 20 0 BDADRP CC[C@H]([NH2+]C[C@H](C)C[NH+](C)C)[C@H]1CCOC1 ZINC000309778347 384823680 /nfs/dbraw/zinc/82/36/80/384823680.db2.gz QKHGHSSIQYJDAH-AVGNSLFASA-N 2 0 228.380 1.589 20 0 BDADRP CC(C)[C@@H]1CC[C@@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000423351312 384823697 /nfs/dbraw/zinc/82/36/97/384823697.db2.gz HXIPFEWYFVREHA-STQMWFEESA-N 2 0 208.349 1.930 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C[C@H]1CC[C@@H](C)O1 ZINC000398179708 384831660 /nfs/dbraw/zinc/83/16/60/384831660.db2.gz SBKFKQLHCZBTJM-FVCCEPFGSA-N 2 0 226.364 1.674 20 0 BDADRP C[C@H](C(=O)Nc1ccc(C[NH3+])cc1)[NH+](C)C ZINC000022178057 384783938 /nfs/dbraw/zinc/78/39/38/384783938.db2.gz DDMHDLWRYHAARC-SECBINFHSA-N 2 0 221.304 1.034 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C2CCC(C[NH+](C)C)CC2)CO1 ZINC000647196387 384789492 /nfs/dbraw/zinc/78/94/92/384789492.db2.gz ZOTXBLPNEUOSEC-RYSNWHEDSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](C[C@H]2CCOC2)C[C@H]1C[NH3+] ZINC000397331975 384797049 /nfs/dbraw/zinc/79/70/49/384797049.db2.gz RHHZQBMFDJUKJK-YVECIDJPSA-N 2 0 226.364 1.328 20 0 BDADRP C[C@@H](C[NH3+])CNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000557191591 384873546 /nfs/dbraw/zinc/87/35/46/384873546.db2.gz MMGLZROJMVTNDD-AAEUAGOBSA-N 2 0 249.358 1.178 20 0 BDADRP CCN(C)CC[NH2+][C@@H](C)CCCC[NH3+] ZINC000308648958 384890087 /nfs/dbraw/zinc/89/00/87/384890087.db2.gz IYBWHEKMTAPWCB-NSHDSACASA-N 3 0 201.358 1.045 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccccn2)C[C@@]1(C)C[NH3+] ZINC000335263627 384885493 /nfs/dbraw/zinc/88/54/93/384885493.db2.gz YHCAFOTYBSVMRP-DGCLKSJQSA-N 2 0 219.332 1.498 20 0 BDADRP C(C1CCOCC1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000335269697 384885628 /nfs/dbraw/zinc/88/56/28/384885628.db2.gz NWJJLOXFEDHLRV-OKILXGFUSA-N 2 0 238.375 1.344 20 0 BDADRP Cc1ccc(C[NH2+][C@H](C)CCC[NH3+])nc1C ZINC000314184093 384847648 /nfs/dbraw/zinc/84/76/48/384847648.db2.gz OUCDSCKBYIRHMV-LLVKDONJSA-N 2 0 221.348 1.915 20 0 BDADRP Cn1cncc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000177049065 384855328 /nfs/dbraw/zinc/85/53/28/384855328.db2.gz VVKGVTFMIMRGDS-UHFFFAOYSA-N 2 0 236.363 1.194 20 0 BDADRP C[C@@](O)(C[NH2+]C1CCN(C2CC2)CC1)C1CC1 ZINC000310163848 384865998 /nfs/dbraw/zinc/86/59/98/384865998.db2.gz RVCZVLKYHOZKOD-CQSZACIVSA-N 2 0 238.375 1.364 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H](CO)Cc1ccccc1 ZINC000310166609 384869368 /nfs/dbraw/zinc/86/93/68/384869368.db2.gz RYHOURTXXYBSPX-TZMCWYRMSA-N 2 0 236.359 1.307 20 0 BDADRP C[C@H]([NH3+])CN(C)Cc1ccc(F)c(F)c1 ZINC000128553005 384954173 /nfs/dbraw/zinc/95/41/73/384954173.db2.gz DZVJHHSASQEPHL-QMMMGPOBSA-N 2 0 214.259 1.744 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000259005213 384956212 /nfs/dbraw/zinc/95/62/12/384956212.db2.gz NJFJIADWZYUQDD-FRRDWIJNSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@H](O)C[NH2+]CCCCC[NH+]1CCCCC1 ZINC000644558819 384957369 /nfs/dbraw/zinc/95/73/69/384957369.db2.gz AHTFGYXQSNHFCX-CYBMUJFWSA-N 2 0 228.380 1.613 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](C)N(C)C ZINC000308646281 384897216 /nfs/dbraw/zinc/89/72/16/384897216.db2.gz HOLBLHBXBFHANK-GHMZBOCLSA-N 2 0 201.358 1.044 20 0 BDADRP CC(C)CN(CC[NH+](C)C)C(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000156663400 384918920 /nfs/dbraw/zinc/91/89/20/384918920.db2.gz QGRXGHKHYFEEMV-RYUDHWBXSA-N 2 0 243.395 1.016 20 0 BDADRP CC[C@@H](O)C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000644521914 384926838 /nfs/dbraw/zinc/92/68/38/384926838.db2.gz AWRUXZJIHSGQCN-ZIAGYGMSSA-N 2 0 242.407 1.859 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CC12CC2)C1CC[NH+](C)CC1 ZINC000643907540 384931359 /nfs/dbraw/zinc/93/13/59/384931359.db2.gz RTTJJISXQQUVTG-ZYHUDNBSSA-N 2 0 208.349 1.859 20 0 BDADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C2CCC(O)CC2)C1 ZINC000258688668 384932002 /nfs/dbraw/zinc/93/20/02/384932002.db2.gz DPCNBXKCAHJCJD-HSBZDZAISA-N 2 0 240.391 1.611 20 0 BDADRP COC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C(C)C ZINC000400942627 533096455 /nfs/dbraw/zinc/09/64/55/533096455.db2.gz DMAFVNUZHBRDKH-DGAVXFQQSA-N 2 0 240.391 1.635 20 0 BDADRP CC[N@H+](CCN[C@@H]1C[NH+](C)C[C@@H]1C)C(C)C ZINC000336759475 384944789 /nfs/dbraw/zinc/94/47/89/384944789.db2.gz JBEGMFRCCPDCFF-QWHCGFSZSA-N 2 0 227.396 1.256 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCOCC1CCC1 ZINC000518360349 384977626 /nfs/dbraw/zinc/97/76/26/384977626.db2.gz VOTNWWAODCMYJH-ZIAGYGMSSA-N 2 0 240.391 1.910 20 0 BDADRP C[C@H](c1ncc[nH]1)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423515923 385012390 /nfs/dbraw/zinc/01/23/90/385012390.db2.gz WDPBFXXNWIIIHH-CKYFFXLPSA-N 2 0 222.336 1.387 20 0 BDADRP Cc1nc(CC[NH2+]C[C@@]2(C)CC[NH2+]C2)cs1 ZINC000226467889 385018021 /nfs/dbraw/zinc/01/80/21/385018021.db2.gz DSCBBBRTZOWWLO-GFCCVEGCSA-N 2 0 239.388 1.583 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCc1cccnc1 ZINC000404779046 385056118 /nfs/dbraw/zinc/05/61/18/385056118.db2.gz MMTLHIAGJGTHDP-VXGBXAGGSA-N 2 0 219.332 1.340 20 0 BDADRP OCCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157092298 385067264 /nfs/dbraw/zinc/06/72/64/385067264.db2.gz XRBGYKTXGKZIGZ-ZDUSSCGKSA-N 2 0 226.364 1.319 20 0 BDADRP CO[C@@H](C[NH2+]C1CC[NH+](C(C)C)CC1)C1CC1 ZINC000340487052 385071860 /nfs/dbraw/zinc/07/18/60/385071860.db2.gz LFKLZRMEEVWBHQ-AWEZNQCLSA-N 2 0 240.391 1.874 20 0 BDADRP C1CC1[C@@H]1CC[C@H]1[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423543433 385024269 /nfs/dbraw/zinc/02/42/69/385024269.db2.gz BVMKTESVILOPQP-RWMBFGLXSA-N 2 0 208.349 1.907 20 0 BDADRP C1CC1[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423543432 385025922 /nfs/dbraw/zinc/02/59/22/385025922.db2.gz BVMKTESVILOPQP-AVGNSLFASA-N 2 0 208.349 1.907 20 0 BDADRP CCC(CC)[C@@H](O)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000336681942 385030945 /nfs/dbraw/zinc/03/09/45/385030945.db2.gz YHMHPZDAXPWGGR-AAEUAGOBSA-N 2 0 230.396 1.891 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCC1CC[NH+](C)CC1 ZINC000310568824 385120796 /nfs/dbraw/zinc/12/07/96/385120796.db2.gz YONNXHFZNIFQRY-CYBMUJFWSA-N 3 0 241.423 1.825 20 0 BDADRP [NH3+]CCCCC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000646969204 385097791 /nfs/dbraw/zinc/09/77/91/385097791.db2.gz YHELMKJEBNYBQZ-UHFFFAOYSA-N 2 0 249.358 1.103 20 0 BDADRP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000305141378 385201674 /nfs/dbraw/zinc/20/16/74/385201674.db2.gz QFOXEDJOIHQZHU-HTVCTNPSSA-N 2 0 242.407 1.712 20 0 BDADRP CCC[C@H](CCO)C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000305114501 385188456 /nfs/dbraw/zinc/18/84/56/385188456.db2.gz FEAPBEXXXUZJRN-MCIONIFRSA-N 2 0 242.407 1.715 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)[C@H]1CCOC1 ZINC000252712531 385212899 /nfs/dbraw/zinc/21/28/99/385212899.db2.gz MRENFTPBBKJRQZ-ZDEQEGDKSA-N 2 0 226.364 1.484 20 0 BDADRP CC(C)[N@H+](C)CCN[C@@H]1CC[NH+](C)C[C@H]1C ZINC000252715788 385225079 /nfs/dbraw/zinc/22/50/79/385225079.db2.gz WSXZCYPCPYIJKV-CHWSQXEVSA-N 2 0 227.396 1.256 20 0 BDADRP CCCCOCCN1CCCC[C@H]1C[NH3+] ZINC000044387192 385204490 /nfs/dbraw/zinc/20/44/90/385204490.db2.gz DSXOIFQQRSRMIZ-LBPRGKRZSA-N 2 0 214.353 1.616 20 0 BDADRP Cc1cnccc1C[NH2+]CCCC[NH+](C)C ZINC000294918725 385307511 /nfs/dbraw/zinc/30/75/11/385307511.db2.gz CLUKIOHNPVKWFP-UHFFFAOYSA-N 2 0 221.348 1.821 20 0 BDADRP CC(C)N(C)CC[NH2+][C@@H](C)CCn1cccn1 ZINC000157711483 385261377 /nfs/dbraw/zinc/26/13/77/385261377.db2.gz AKPUDPBKEVBVDA-ZDUSSCGKSA-N 2 0 238.379 1.592 20 0 BDADRP C[NH+](C)CCCC[NH2+]Cc1cscn1 ZINC000045598252 385271189 /nfs/dbraw/zinc/27/11/89/385271189.db2.gz ZLGCZFZIUCUQMP-UHFFFAOYSA-N 2 0 213.350 1.575 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@H]1CCSC1 ZINC000045662961 385272720 /nfs/dbraw/zinc/27/27/20/385272720.db2.gz ZLKBCYWDRQPOAK-JTQLQIEISA-N 2 0 202.367 1.423 20 0 BDADRP CC[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)OC ZINC000308928401 385290586 /nfs/dbraw/zinc/29/05/86/385290586.db2.gz QQQVWVAZKKFFOE-GRYCIOLGSA-N 2 0 214.353 1.484 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](CCOc2ccccc2)C1 ZINC000011888562 385298285 /nfs/dbraw/zinc/29/82/85/385298285.db2.gz CIPSMLMJDCGPGJ-ZDUSSCGKSA-N 2 0 234.343 1.736 20 0 BDADRP C([NH2+]C1CCOCC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037485285 385301373 /nfs/dbraw/zinc/30/13/73/385301373.db2.gz TVACEIRGJVSWDK-LLVKDONJSA-N 2 0 224.348 1.239 20 0 BDADRP CCOCCC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000131533037 385341605 /nfs/dbraw/zinc/34/16/05/385341605.db2.gz WIKYGJONFZTGHZ-RYUDHWBXSA-N 2 0 214.353 1.343 20 0 BDADRP C[NH2+]Cc1ccccc1NC(=O)[C@H]1CCC[NH2+]1 ZINC000647654915 385344716 /nfs/dbraw/zinc/34/47/16/385344716.db2.gz AYVINDFDQWLANK-GFCCVEGCSA-N 2 0 233.315 1.097 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)C[NH2+]CC2CC2)cc1 ZINC000131739153 385357747 /nfs/dbraw/zinc/35/77/47/385357747.db2.gz JGVRGHYQIKEEEG-UHFFFAOYSA-N 2 0 233.315 1.083 20 0 BDADRP CC(C)COCCC[NH2+][C@@H](C)CCC[NH3+] ZINC000309010683 385359573 /nfs/dbraw/zinc/35/95/73/385359573.db2.gz OVCNYCQLKVCSHP-LBPRGKRZSA-N 2 0 216.369 1.766 20 0 BDADRP CC[NH+](CC)CCOCC[NH2+]CC1CC1 ZINC000309034168 385381049 /nfs/dbraw/zinc/38/10/49/385381049.db2.gz HAWULYGATSGGGL-UHFFFAOYSA-N 2 0 214.353 1.344 20 0 BDADRP Cc1cncc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000299931321 385326192 /nfs/dbraw/zinc/32/61/92/385326192.db2.gz CDBBWFNSSBSNCQ-TZMCWYRMSA-N 2 0 233.359 1.807 20 0 BDADRP C[C@@H]1[C@H]([NH2+]C[C@H]2CCSC2)CCCN1C ZINC000309096047 385407552 /nfs/dbraw/zinc/40/75/52/385407552.db2.gz CUZXHMNRCUQJML-IJLUTSLNSA-N 2 0 228.405 1.812 20 0 BDADRP CC[C@@H]1CN(C[C@@H]([NH3+])CC(C)C)CC[C@@H]1[NH3+] ZINC000647497438 385410823 /nfs/dbraw/zinc/41/08/23/385410823.db2.gz HWVQLNOSIRCVIS-AGIUHOORSA-N 2 0 227.396 1.419 20 0 BDADRP C=Cn1cc(C[N@H+](C)CC2CC[NH+](C)CC2)cn1 ZINC000193880087 385416461 /nfs/dbraw/zinc/41/64/61/385416461.db2.gz AFPJMEYNLFLMIT-UHFFFAOYSA-N 2 0 248.374 1.757 20 0 BDADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](C)OC)C1 ZINC000182215708 385434337 /nfs/dbraw/zinc/43/43/37/385434337.db2.gz SHSOXAKXSQBCLE-VXGBXAGGSA-N 2 0 214.353 1.295 20 0 BDADRP C([C@H]1CCSC1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000390751580 385469327 /nfs/dbraw/zinc/46/93/27/385469327.db2.gz DESQKYRYEYVDLJ-UPJWGTAASA-N 2 0 240.416 1.671 20 0 BDADRP Cn1cncc1CNCc1ccc(Cl)cn1 ZINC000182684776 385470268 /nfs/dbraw/zinc/47/02/68/385470268.db2.gz KUWVNYXBYUCOPJ-UHFFFAOYSA-N 2 0 236.706 1.758 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC000161711979 385480861 /nfs/dbraw/zinc/48/08/61/385480861.db2.gz VULVPFOTTLWLPB-JQWIXIFHSA-N 2 0 205.305 1.251 20 0 BDADRP COCCCC[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000405336717 385501225 /nfs/dbraw/zinc/50/12/25/385501225.db2.gz ZUAIBRUTYLGHGB-VHSXEESVSA-N 2 0 200.326 1.128 20 0 BDADRP CSCC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000172198347 385533007 /nfs/dbraw/zinc/53/30/07/385533007.db2.gz XYBICIULZWTVTM-SNVBAGLBSA-N 2 0 202.367 1.233 20 0 BDADRP C[C@@H]([NH2+]CCCC[NH+](C)C)[C@@H]1CCCOC1 ZINC000309358232 385549029 /nfs/dbraw/zinc/54/90/29/385549029.db2.gz ACDOXJXEPFREGQ-CHWSQXEVSA-N 2 0 228.380 1.733 20 0 BDADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H](C)[NH3+])c1 ZINC000158041503 385545998 /nfs/dbraw/zinc/54/59/98/385545998.db2.gz UBKTWAPTAOHMLM-SNVBAGLBSA-N 2 0 235.331 1.342 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@H]1CCc2ccccc2C1 ZINC000309354279 385546477 /nfs/dbraw/zinc/54/64/77/385546477.db2.gz NTFXIMITUYGZCR-FZMZJTMJSA-N 2 0 218.344 1.728 20 0 BDADRP Cc1c[nH+]ccc1N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643031162 385527333 /nfs/dbraw/zinc/52/73/33/385527333.db2.gz ITGBAMRMHYSEBN-RYUDHWBXSA-N 2 0 217.316 1.578 20 0 BDADRP CC[NH+](CC)CCC[NH2+]CC[C@H]1CCOC1 ZINC000309479663 385605061 /nfs/dbraw/zinc/60/50/61/385605061.db2.gz SRQBONUUMYHTTB-ZDUSSCGKSA-N 2 0 228.380 1.735 20 0 BDADRP Cc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]C2)nc1 ZINC000414847812 385605332 /nfs/dbraw/zinc/60/53/32/385605332.db2.gz JQRCVELCCSIYBO-CYBMUJFWSA-N 2 0 233.359 1.869 20 0 BDADRP C[C@H]([NH2+][C@H]1CSC1(C)C)C1C[NH2+]C1 ZINC000335167201 385583747 /nfs/dbraw/zinc/58/37/47/385583747.db2.gz DPMMXGJLAZHTGZ-CBAPKCEASA-N 2 0 200.351 1.078 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccccc1N(C)C ZINC000414848394 385614754 /nfs/dbraw/zinc/61/47/54/385614754.db2.gz WWYJCGJVOUUEBC-LBPRGKRZSA-N 2 0 235.375 1.698 20 0 BDADRP Fc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000647789595 385618615 /nfs/dbraw/zinc/61/86/15/385618615.db2.gz HWZJSVGVSYOARE-NQBHXWOUSA-N 2 0 249.333 1.698 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+]Cc1cccc2c[nH]nc21 ZINC000414849197 385624864 /nfs/dbraw/zinc/62/48/64/385624864.db2.gz XRHFXPWGRHNGKT-JTQLQIEISA-N 2 0 232.331 1.508 20 0 BDADRP Cc1n[nH]c(C)c1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000108283657 385629167 /nfs/dbraw/zinc/62/91/67/385629167.db2.gz KCAAYDNUTAIHEV-QWHCGFSZSA-N 2 0 248.374 1.743 20 0 BDADRP Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cn1 ZINC000414850230 385631825 /nfs/dbraw/zinc/63/18/25/385631825.db2.gz IBJYTCHLLKSQKW-GXTWGEPZSA-N 2 0 233.359 1.868 20 0 BDADRP Cc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cn1 ZINC000414850234 385632291 /nfs/dbraw/zinc/63/22/91/385632291.db2.gz IBJYTCHLLKSQKW-OCCSQVGLSA-N 2 0 233.359 1.868 20 0 BDADRP CN(C[C@H](O)C[N@H+](C)C1CCCC1)C1CC1 ZINC000336650015 385612302 /nfs/dbraw/zinc/61/23/02/385612302.db2.gz HGVPLHFBKFYMQG-CYBMUJFWSA-N 2 0 226.364 1.316 20 0 BDADRP CC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000336724091 385613112 /nfs/dbraw/zinc/61/31/12/385613112.db2.gz BAIVNXGAASJQIW-LOWDOPEQSA-N 2 0 226.364 1.220 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCOC)[C@@H](C)C1 ZINC000221701839 385689721 /nfs/dbraw/zinc/68/97/21/385689721.db2.gz WOICKGYDXCLTFQ-NWDGAFQWSA-N 2 0 214.353 1.343 20 0 BDADRP C[C@H]([NH2+]CCC[NH+](C)C)[C@H]1CCCO1 ZINC000122602147 385696382 /nfs/dbraw/zinc/69/63/82/385696382.db2.gz SDIWSHIGBCBRIN-WDEREUQCSA-N 2 0 200.326 1.095 20 0 BDADRP CC(C)[C@](C)(O)C[NH2+][C@@H](C)CCC[NH3+] ZINC000336687131 385702819 /nfs/dbraw/zinc/70/28/19/385702819.db2.gz MIFFRIRJQHNLDM-WDEREUQCSA-N 2 0 202.342 1.110 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)C(CC)(CC)C[NH3+] ZINC000337550407 385705845 /nfs/dbraw/zinc/70/58/45/385705845.db2.gz OAKCDVLXUZKXKE-UHFFFAOYSA-N 2 0 243.395 1.385 20 0 BDADRP C[NH2+]CCC[NH2+]Cc1cccc2c[nH]nc21 ZINC000414856503 385715236 /nfs/dbraw/zinc/71/52/36/385715236.db2.gz APVQXXBWDNNPMQ-UHFFFAOYSA-N 2 0 218.304 1.262 20 0 BDADRP C[N@H+](C[C@H]1CCSC1)C1CC([NH3+])C1 ZINC000307223214 385668758 /nfs/dbraw/zinc/66/87/58/385668758.db2.gz RMIZAIDTXJWESO-XNWIYYODSA-N 2 0 200.351 1.161 20 0 BDADRP CC(C)[NH+]1CCC([NH2+][C@H]2C[C@H](O)C2(C)C)CC1 ZINC000129222658 385740443 /nfs/dbraw/zinc/74/04/43/385740443.db2.gz SAMVTZULLWRYJN-STQMWFEESA-N 2 0 240.391 1.608 20 0 BDADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCCOCC2)CC1 ZINC000309615185 385744839 /nfs/dbraw/zinc/74/48/39/385744839.db2.gz COVPQOMSAMBRLE-ZDUSSCGKSA-N 2 0 224.348 1.407 20 0 BDADRP CCN(CC[NH2+]CC[C@@H]1CCOC1)C1CC1 ZINC000309632389 385760357 /nfs/dbraw/zinc/76/03/57/385760357.db2.gz IERSVISGZCPRBU-GFCCVEGCSA-N 2 0 226.364 1.487 20 0 BDADRP C[NH+](C)CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000309648205 385767048 /nfs/dbraw/zinc/76/70/48/385767048.db2.gz MZPKXGUHUDYNGI-UPJWGTAASA-N 2 0 225.380 1.010 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H](C)CC1CCOCC1 ZINC000414857255 385724011 /nfs/dbraw/zinc/72/40/11/385724011.db2.gz CFSFBGFOVFXRCC-NSHDSACASA-N 2 0 214.353 1.391 20 0 BDADRP CC[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1nccn1C ZINC000271876889 385856356 /nfs/dbraw/zinc/85/63/56/385856356.db2.gz OJJIYHCFWQWEPY-ZDUSSCGKSA-N 2 0 248.374 1.723 20 0 BDADRP COC[C@]1(C[NH2+][C@@H]2CCC[C@H]2C)CCC[NH2+]1 ZINC000414945311 385800828 /nfs/dbraw/zinc/80/08/28/385800828.db2.gz PZQOJFXGGLCZMY-JHJVBQTASA-N 2 0 226.364 1.533 20 0 BDADRP C1CC12C[C@H]2[NH2+][C@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647799758 385801973 /nfs/dbraw/zinc/80/19/73/385801973.db2.gz QAPFBKGPYJKPJE-NOOOWODRSA-N 2 0 206.333 1.517 20 0 BDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CCC[NH2+]C1 ZINC000414867454 385802693 /nfs/dbraw/zinc/80/26/93/385802693.db2.gz OFEVZYVUOCBSPI-MGPQQGTHSA-N 2 0 239.407 1.639 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)CCO1 ZINC000414950200 385817379 /nfs/dbraw/zinc/81/73/79/385817379.db2.gz FZXMFPLQYGYRMW-REWJHTLYSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@H](CN[C@H]1CC[N@H+](C)C[C@H]1C)C[NH+](C)C ZINC000336737792 385822002 /nfs/dbraw/zinc/82/20/02/385822002.db2.gz JRNWDGQNTHPWOD-UPJWGTAASA-N 2 0 227.396 1.114 20 0 BDADRP C[C@H](CN[C@@H]1CC[N@H+](C)C[C@H]1C)C[NH+](C)C ZINC000336737791 385823090 /nfs/dbraw/zinc/82/30/90/385823090.db2.gz JRNWDGQNTHPWOD-JHJVBQTASA-N 2 0 227.396 1.114 20 0 BDADRP C[C@H]([NH2+]CCCC1CC[NH2+]CC1)[C@H]1CCCO1 ZINC000647802854 385836296 /nfs/dbraw/zinc/83/62/96/385836296.db2.gz VZAOREHGFHSFJP-GXTWGEPZSA-N 2 0 240.391 1.923 20 0 BDADRP CO[C@@H](C[NH3+])CC(=O)Nc1ccc(C)nc1C ZINC000232122864 385837772 /nfs/dbraw/zinc/83/77/72/385837772.db2.gz IUTDRNNQYHHVPZ-SNVBAGLBSA-N 2 0 237.303 1.001 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]CC[C@H]2C)CO1 ZINC000647804809 385839053 /nfs/dbraw/zinc/83/90/53/385839053.db2.gz ZYHHOMSGCGHXDN-WISYIIOYSA-N 2 0 212.337 1.142 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[C@H]2C1)[C@H]1CCC[NH2+]1 ZINC000647804545 385841432 /nfs/dbraw/zinc/84/14/32/385841432.db2.gz UANPTJLPGMHWBC-JZRPKSSGSA-N 2 0 208.349 1.905 20 0 BDADRP C[C@@H]1SCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000647804410 385841548 /nfs/dbraw/zinc/84/15/48/385841548.db2.gz PYFLYCFFYYAVSE-LAVVOLMRSA-N 2 0 226.389 1.753 20 0 BDADRP CC[N@H+](C)[C@@H](C(=O)N[C@@H](C)C[NH3+])c1ccccc1 ZINC000262545579 385858530 /nfs/dbraw/zinc/85/85/30/385858530.db2.gz VBVBOJGAEATARM-WCQYABFASA-N 2 0 249.358 1.143 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2(C)CCOCC2)CC[N@@H+]1C ZINC000222242873 385845595 /nfs/dbraw/zinc/84/55/95/385845595.db2.gz MBPKNPFCLNISKO-CHWSQXEVSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]Cc1cccc2c1NCC2 ZINC000414870654 385849341 /nfs/dbraw/zinc/84/93/41/385849341.db2.gz CCCCUOAITXUDEI-JTQLQIEISA-N 2 0 219.332 1.339 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000414870824 385850996 /nfs/dbraw/zinc/85/09/96/385850996.db2.gz CORCOXBOLRCHED-UBHSHLNASA-N 2 0 218.344 1.975 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647797963 385791954 /nfs/dbraw/zinc/79/19/54/385791954.db2.gz ISMNQDGOTYWHBI-NJMOYASZSA-N 2 0 226.364 1.388 20 0 BDADRP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H]1CCCO1 ZINC000647798127 385793091 /nfs/dbraw/zinc/79/30/91/385793091.db2.gz MEHBKEOJUAULSB-FDYHWXHSSA-N 2 0 224.348 1.143 20 0 BDADRP C[C@H](F)CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647798242 385794278 /nfs/dbraw/zinc/79/42/78/385794278.db2.gz NNEMGWJDQKWUIR-FIQHERPVSA-N 2 0 214.328 1.712 20 0 BDADRP CCN(CCC[NH2+]C)[C@H]1CCC[NH2+]CC1 ZINC000336709176 385795054 /nfs/dbraw/zinc/79/50/54/385795054.db2.gz RBMYGKWTOIKPGY-LBPRGKRZSA-N 2 0 213.369 1.060 20 0 BDADRP CC[C@@H](C)NC(=O)CC[NH2+][C@H](C)CCCC[NH3+] ZINC000336707459 385795276 /nfs/dbraw/zinc/79/52/76/385795276.db2.gz LTVKCSGGOMSIBU-VXGBXAGGSA-N 2 0 243.395 1.398 20 0 BDADRP CCc1ncc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000647798670 385797709 /nfs/dbraw/zinc/79/77/09/385797709.db2.gz VJKWEEPBWDVEDJ-GRYCIOLGSA-N 2 0 249.358 1.715 20 0 BDADRP C[C@H]1CN(CCCC2CC[NH2+]CC2)C[C@H](C)[NH2+]1 ZINC000647841620 385889845 /nfs/dbraw/zinc/88/98/45/385889845.db2.gz FUFAEKQVCYSTLM-STQMWFEESA-N 2 0 239.407 1.448 20 0 BDADRP C[NH2+]C[C@H]1CCCN1CCCC1CC[NH2+]CC1 ZINC000647857087 385907222 /nfs/dbraw/zinc/90/72/22/385907222.db2.gz XUVILIJZLLAYAY-CQSZACIVSA-N 2 0 239.407 1.450 20 0 BDADRP CC(C)n1ccc(C[C@H](C)[NH2+]C[C@@H](C)C[NH3+])n1 ZINC000414876552 385909696 /nfs/dbraw/zinc/90/96/96/385909696.db2.gz LNUPJGBKGLBTKW-RYUDHWBXSA-N 2 0 238.379 1.579 20 0 BDADRP CC[C@H]1C[N@H+](CCC[NH2+]C)CCS1 ZINC000123786840 385909960 /nfs/dbraw/zinc/90/99/60/385909960.db2.gz DNWCHMSCCLVEFF-JTQLQIEISA-N 2 0 202.367 1.423 20 0 BDADRP C[N@H+](CCCC1CC[NH2+]CC1)CC(C)(C)C[NH3+] ZINC000647858101 385914124 /nfs/dbraw/zinc/91/41/24/385914124.db2.gz YOTXUALBLARBCG-UHFFFAOYSA-N 2 0 241.423 1.683 20 0 BDADRP C[C@]1(CN2CC[N@@H+]3CCCC[C@H]3C2)CC[NH2+]C1 ZINC000250815482 385926909 /nfs/dbraw/zinc/92/69/09/385926909.db2.gz WVLSQKIHKONWAE-KBPBESRZSA-N 2 0 237.391 1.156 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000262575476 385862535 /nfs/dbraw/zinc/86/25/35/385862535.db2.gz JDYUJGKJNTURTQ-OCCSQVGLSA-N 2 0 249.358 1.320 20 0 BDADRP C([C@H]1CCOC1)[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647815129 385869178 /nfs/dbraw/zinc/86/91/78/385869178.db2.gz QEXXVNPBQSTEPW-LLVKDONJSA-N 2 0 224.348 1.239 20 0 BDADRP COC[C@]1(C[NH2+]C2CC(C)C2)CCC[NH2+]1 ZINC000414959265 385873853 /nfs/dbraw/zinc/87/38/53/385873853.db2.gz SFMGQWWDIXDBCQ-HTAVTVPLSA-N 2 0 212.337 1.143 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCSC1 ZINC000228557898 385877891 /nfs/dbraw/zinc/87/78/91/385877891.db2.gz WSAWIJNFIBIFSG-DCAQKATOSA-N 2 0 214.378 1.457 20 0 BDADRP C[NH2+]C1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000647839242 385880811 /nfs/dbraw/zinc/88/08/11/385880811.db2.gz BKLIFEZJRLRUOD-UHFFFAOYSA-N 3 0 239.407 1.450 20 0 BDADRP CCC[NH+]1CCC([NH2+]C[C@@H]2CC[C@H](O)C2)CC1 ZINC000189316026 385975286 /nfs/dbraw/zinc/97/52/86/385975286.db2.gz CKDRTOWTSCMYMD-OCCSQVGLSA-N 2 0 240.391 1.611 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CC1CCSCC1 ZINC000335019783 385977354 /nfs/dbraw/zinc/97/73/54/385977354.db2.gz UIAIUYZNUHHJTR-QWRGUYRKSA-N 2 0 214.378 1.599 20 0 BDADRP [NH3+][C@H]1C[C@H](NCC2([NH3+])CCC2)c2ccccc21 ZINC000335021061 385979781 /nfs/dbraw/zinc/97/97/81/385979781.db2.gz AHAOCIVFKAPIHF-STQMWFEESA-N 2 0 231.343 1.602 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)CC[N@@H+]1C ZINC000335021092 385980913 /nfs/dbraw/zinc/98/09/13/385980913.db2.gz BCCGSEAGSIWXJC-STQMWFEESA-N 3 0 239.407 1.448 20 0 BDADRP Cc1cnn(CC[NH+]2CCC(C)([NH3+])CC2)c1 ZINC000647924048 385936627 /nfs/dbraw/zinc/93/66/27/385936627.db2.gz ALYJWVBDINDHAF-UHFFFAOYSA-N 2 0 222.336 1.005 20 0 BDADRP CC[NH2+][C@H](C)CNCc1cnn(CC(C)C)c1 ZINC000414968182 385938314 /nfs/dbraw/zinc/93/83/14/385938314.db2.gz YBXPYGPWLWQNKC-GFCCVEGCSA-N 2 0 238.379 1.627 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+]CCC[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000414968607 385940724 /nfs/dbraw/zinc/94/07/24/385940724.db2.gz RUFGBDFXPRBLNP-MCIONIFRSA-N 3 0 239.407 1.496 20 0 BDADRP C[NH+](C)Cc1cccc(C[NH2+]CC2(C)COC2)c1 ZINC000285592223 385946220 /nfs/dbraw/zinc/94/62/20/385946220.db2.gz XRXGOKCZOYROMR-UHFFFAOYSA-N 2 0 248.370 1.874 20 0 BDADRP C[C@@H](CC[NH3+])NCc1nc2ccccc2n1C ZINC000414879887 385953239 /nfs/dbraw/zinc/95/32/39/385953239.db2.gz JCZYMKSABXHBMA-JTQLQIEISA-N 2 0 232.331 1.400 20 0 BDADRP CC[NH+](CC)CCC[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000643250833 385955725 /nfs/dbraw/zinc/95/57/25/385955725.db2.gz NUNRXBYWRCVPKZ-BETUJISGSA-N 2 0 228.380 1.421 20 0 BDADRP C[C@]1(C[NH2+]CCC[C@H]2CCC[NH2+]2)CC[NH2+]C1 ZINC000414970617 385964710 /nfs/dbraw/zinc/96/47/10/385964710.db2.gz VLWPJFDSSYEPGW-QWHCGFSZSA-N 3 0 225.380 1.108 20 0 BDADRP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)cn1 ZINC000335014104 385970525 /nfs/dbraw/zinc/97/05/25/385970525.db2.gz WZYIQRICVIQDBD-SMDDNHRTSA-N 2 0 233.359 1.868 20 0 BDADRP [NH3+]CC[C@H]1CCC[N@H+](CCc2cn[nH]c2)C1 ZINC000309395010 386007603 /nfs/dbraw/zinc/00/76/03/386007603.db2.gz IGNBALMEGSSZAN-LLVKDONJSA-N 2 0 222.336 1.013 20 0 BDADRP COC1(C[NH2+]C[C@@H]2CCC[NH2+]C2)CCCC1 ZINC000309487794 386011924 /nfs/dbraw/zinc/01/19/24/386011924.db2.gz HFCDPPYBLPNEHH-GFCCVEGCSA-N 2 0 226.364 1.535 20 0 BDADRP C[N@H+](C[C@H](O)C[NH3+])C[C@H]1CCCC(F)(F)C1 ZINC000336753424 386023795 /nfs/dbraw/zinc/02/37/95/386023795.db2.gz WHUOGMQLKARIIQ-VHSXEESVSA-N 2 0 236.306 1.063 20 0 BDADRP Cc1n[nH]c(C)c1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414976751 386026817 /nfs/dbraw/zinc/02/68/17/386026817.db2.gz QENKPBXRSFWXGL-GFCCVEGCSA-N 2 0 236.363 1.648 20 0 BDADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000237007816 259680421 /nfs/dbraw/zinc/68/04/21/259680421.db2.gz QGVUFAYQTURSRV-ZWNOBZJWSA-N 2 0 249.358 1.718 20 0 BDADRP CO[C@@H](C[NH+]1CCC([NH2+]C(C)C)CC1)C1CC1 ZINC000425422753 386044227 /nfs/dbraw/zinc/04/42/27/386044227.db2.gz YCBXDVRLQFHQDC-AWEZNQCLSA-N 2 0 240.391 1.874 20 0 BDADRP CC[C@@H]([NH3+])CNCc1cnn(CC(C)C)c1 ZINC000414987376 386117060 /nfs/dbraw/zinc/11/70/60/386117060.db2.gz YWWSLVGGQJULLW-GFCCVEGCSA-N 2 0 224.352 1.366 20 0 BDADRP Cc1nc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)cs1 ZINC000054309202 386117626 /nfs/dbraw/zinc/11/76/26/386117626.db2.gz SPXIELFEQODXTP-NSHDSACASA-N 2 0 239.388 1.931 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CC1CCSCC1 ZINC000335019784 386063513 /nfs/dbraw/zinc/06/35/13/386063513.db2.gz UIAIUYZNUHHJTR-WDEREUQCSA-N 2 0 214.378 1.599 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCSC1 ZINC000336642985 386121960 /nfs/dbraw/zinc/12/19/60/386121960.db2.gz DSQADEUGLWSJCQ-UWVGGRQHSA-N 2 0 202.367 1.599 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000336753533 386063841 /nfs/dbraw/zinc/06/38/41/386063841.db2.gz GXPPLVZSPYUQFS-WDEREUQCSA-N 2 0 212.337 1.261 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@@H](C)Cc1ccccc1OC ZINC000414982263 386065399 /nfs/dbraw/zinc/06/53/99/386065399.db2.gz CNTFSNPUYVRCGS-WCQYABFASA-N 2 0 236.359 1.953 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414651751 386072239 /nfs/dbraw/zinc/07/22/39/386072239.db2.gz GDBKRLJNFOJCQL-IHRRRGAJSA-N 3 0 239.407 1.306 20 0 BDADRP CO[C@H](C)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365404144 386077308 /nfs/dbraw/zinc/07/73/08/386077308.db2.gz OUJYRWYDGFKLSK-VXGBXAGGSA-N 2 0 214.353 1.437 20 0 BDADRP C[C@@H]1C[C@@H](CN(C2CC2)[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000414659975 386091215 /nfs/dbraw/zinc/09/12/15/386091215.db2.gz NTGRTBWMIPLMKE-MBNYWOFBSA-N 2 0 237.391 1.201 20 0 BDADRP CSCCCC[NH2+][C@@H](C)CCC[NH3+] ZINC000336643344 386144397 /nfs/dbraw/zinc/14/43/97/386144397.db2.gz GWELVVHAHRLVDR-JTQLQIEISA-N 2 0 204.383 1.847 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(CCO)CC2)[C@H](C)C1 ZINC000188073633 386171277 /nfs/dbraw/zinc/17/12/77/386171277.db2.gz CJLGCCPOVOYNCQ-CHWSQXEVSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@@H]1C[C@H](N(C)CC[NH2+]C(C)(C)C)CC[N@@H+]1C ZINC000414692632 386183734 /nfs/dbraw/zinc/18/37/34/386183734.db2.gz CYNCVMQBVQWEAC-CHWSQXEVSA-N 2 0 241.423 1.789 20 0 BDADRP [NH3+][C@H](C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)C1CC1 ZINC000414890735 386130415 /nfs/dbraw/zinc/13/04/15/386130415.db2.gz MZTXKRQNDJWUAF-LPWJVIDDSA-N 2 0 236.359 1.271 20 0 BDADRP C[C@H]([NH3+])C1CCN(CC[NH2+]C(C)(C)C)CC1 ZINC000414671058 386139081 /nfs/dbraw/zinc/13/90/81/386139081.db2.gz LRKHYDUBOJOQQP-NSHDSACASA-N 2 0 227.396 1.434 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+](C)C[C@@H]2CCC[C@@H]2O)CC[NH2+]1 ZINC000414700521 386208476 /nfs/dbraw/zinc/20/84/76/386208476.db2.gz GAZSBLPMBGISMW-MQYQWHSLSA-N 2 0 240.391 1.467 20 0 BDADRP C[N@H+](C[C@@H]1CC[NH2+]C1)C1Cc2ccccc2C1 ZINC000647881635 386212108 /nfs/dbraw/zinc/21/21/08/386212108.db2.gz XNDCZTMOHWKTMJ-GFCCVEGCSA-N 2 0 230.355 1.695 20 0 BDADRP CC[C@H](O)C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000339023710 386215080 /nfs/dbraw/zinc/21/50/80/386215080.db2.gz NBZKRIRZXSALHM-WCQYABFASA-N 2 0 236.315 1.306 20 0 BDADRP CC[C@@H]1C[N@H+](CCC[NH3+])[C@H](CC)CN1C(C)=O ZINC000414707394 386217695 /nfs/dbraw/zinc/21/76/95/386217695.db2.gz NVNFPOUJYWWHCI-CHWSQXEVSA-N 2 0 241.379 1.057 20 0 BDADRP COC(=O)C[N@H+](C[C@H]1CC[NH2+][C@@H](C)C1)C1CC1 ZINC000414706275 386219091 /nfs/dbraw/zinc/21/90/91/386219091.db2.gz LKAQPSNMAZRHPK-QWRGUYRKSA-N 2 0 240.347 1.012 20 0 BDADRP CC(C)(C)c1n[nH]cc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000347031671 386223306 /nfs/dbraw/zinc/22/33/06/386223306.db2.gz AIGUWFGFAXGZFF-JTQLQIEISA-N 2 0 236.363 1.488 20 0 BDADRP CC[N@H+](CCOC)CC[C@@H]1CCC[NH+]1C ZINC000336643895 386242837 /nfs/dbraw/zinc/24/28/37/386242837.db2.gz FASCGJODYGCFBN-LBPRGKRZSA-N 2 0 214.353 1.439 20 0 BDADRP CCC[N@H+](C[C@H]1CCCOC1)C1CC[NH2+]CC1 ZINC000347095816 386246784 /nfs/dbraw/zinc/24/67/84/386246784.db2.gz IINVUDKFEUQODF-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP CC(=O)Nc1ccccc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000347100017 386250166 /nfs/dbraw/zinc/25/01/66/386250166.db2.gz KBTXIALHFCIIQL-GFCCVEGCSA-N 2 0 247.342 1.426 20 0 BDADRP CC[C@@H]1C[C@@H](C[NH+]2CCC([NH2+]C)CC2)CCO1 ZINC000347140054 386256801 /nfs/dbraw/zinc/25/68/01/386256801.db2.gz WAJCXGKJWXBESZ-GXTWGEPZSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1cncc(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000310513787 386195472 /nfs/dbraw/zinc/19/54/72/386195472.db2.gz UYASSWBAODAKFC-ZIAGYGMSSA-N 2 0 231.343 1.574 20 0 BDADRP COC1(CC[N@@H+]2CC[C@H](C[NH+](C)C)C2)CCC1 ZINC000338998424 386199082 /nfs/dbraw/zinc/19/90/82/386199082.db2.gz TYACODFWRXBHCN-CYBMUJFWSA-N 2 0 240.391 1.829 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H]2CCCSC2)C1 ZINC000415004545 386280881 /nfs/dbraw/zinc/28/08/81/386280881.db2.gz OIINCSYQZPXZMV-TUAOUCFPSA-N 2 0 228.405 1.989 20 0 BDADRP CC(C)C[C@H]([NH3+])CNC[C@@]1(C)CCC[NH2+]C1 ZINC000414900866 386291148 /nfs/dbraw/zinc/29/11/48/386291148.db2.gz FIUPLEHMORATGV-STQMWFEESA-N 2 0 227.396 1.339 20 0 BDADRP C[C@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)[C@H]1CO ZINC000414733915 386299030 /nfs/dbraw/zinc/29/90/30/386299030.db2.gz FEKCKFKGCZFGKV-LOWDOPEQSA-N 2 0 226.364 1.077 20 0 BDADRP CCO[C@@H]1C[C@H]([N@H+](C)C[C@H]2CC[NH2+]C2)C1(C)C ZINC000647886671 386300221 /nfs/dbraw/zinc/30/02/21/386300221.db2.gz HDTOPBWGMPDFNO-RWMBFGLXSA-N 2 0 240.391 1.731 20 0 BDADRP C([C@@H]1CC[NH2+]C1)[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000647988759 386318416 /nfs/dbraw/zinc/31/84/16/386318416.db2.gz IGFJSTFNIFFJTI-OCCSQVGLSA-N 2 0 238.375 1.487 20 0 BDADRP CC[N@H+](CCCO)CC[C@@H]1CCC[NH+]1C ZINC000336644641 386279932 /nfs/dbraw/zinc/27/99/32/386279932.db2.gz GVIUMDOEIVMXKN-LBPRGKRZSA-N 2 0 214.353 1.175 20 0 BDADRP C([C@@H]1CC[NH2+]C1)[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000647888187 386341683 /nfs/dbraw/zinc/34/16/83/386341683.db2.gz YBGXHYDCAGNJES-KGLIPLIRSA-N 2 0 238.375 1.489 20 0 BDADRP CC(C)[NH+]1CCC([N@H+](C)CCCCO)CC1 ZINC000336683198 386343964 /nfs/dbraw/zinc/34/39/64/386343964.db2.gz SURAQQBQNSSEGW-UHFFFAOYSA-N 2 0 228.380 1.564 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@](C)(O)C2CC2)[C@@H](C)C1 ZINC000347308497 386350937 /nfs/dbraw/zinc/35/09/37/386350937.db2.gz BSBCAHQIWSUVSJ-UBHSHLNASA-N 2 0 240.391 1.467 20 0 BDADRP CC(C)(C)[NH2+]CCN1CC[C@H]([C@@H]2CCOC2)C1 ZINC000414745667 386351168 /nfs/dbraw/zinc/35/11/68/386351168.db2.gz PUUUFCVNMDVRKM-QWHCGFSZSA-N 2 0 240.391 1.733 20 0 BDADRP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000414747822 386357457 /nfs/dbraw/zinc/35/74/57/386357457.db2.gz UXBGPWINTHLWGE-ZDEQEGDKSA-N 2 0 226.364 1.063 20 0 BDADRP C(OC1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1)C1CC1 ZINC000647890007 386362024 /nfs/dbraw/zinc/36/20/24/386362024.db2.gz FJALMQSSBSYOQU-CYBMUJFWSA-N 2 0 238.375 1.487 20 0 BDADRP CC(C)(CCC[NH3+])[NH2+]Cc1cncc(F)c1 ZINC000415007853 386362683 /nfs/dbraw/zinc/36/26/83/386362683.db2.gz CGZHFBRZKJCVAH-UHFFFAOYSA-N 2 0 225.311 1.828 20 0 BDADRP CC[C@H](C(=O)N1CCC[C@H]([NH3+])C1)[NH+](CC)CC ZINC000347362624 386364513 /nfs/dbraw/zinc/36/45/13/386364513.db2.gz CJMUAVZVOHSXMF-NWDGAFQWSA-N 2 0 241.379 1.057 20 0 BDADRP Cc1cc(CN(C)CC[NH3+])c2ccccc2n1 ZINC000092345950 386365175 /nfs/dbraw/zinc/36/51/75/386365175.db2.gz BUYHOURYQHLTTR-UHFFFAOYSA-N 2 0 229.327 1.934 20 0 BDADRP C[C@@H]1[C@H](CO)CC[N@@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414749998 386369697 /nfs/dbraw/zinc/36/96/97/386369697.db2.gz ZEBYDMYOBOWKOP-LPWJVIDDSA-N 2 0 226.364 1.077 20 0 BDADRP CC[C@@H](COC)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414906209 386371556 /nfs/dbraw/zinc/37/15/56/386371556.db2.gz MFIUHUWLXZVAHY-RYUDHWBXSA-N 2 0 214.353 1.391 20 0 BDADRP C[NH2+]Cc1ccccc1NC(=O)[C@@H](C)[NH+](C)C ZINC000637808228 386372655 /nfs/dbraw/zinc/37/26/55/386372655.db2.gz AFRWPLKYXPAHIU-SNVBAGLBSA-N 2 0 235.331 1.295 20 0 BDADRP C[C@@H]([NH3+])[C@H](C)NCc1c[nH]c(-c2ccccc2)n1 ZINC000415006952 386331698 /nfs/dbraw/zinc/33/16/98/386331698.db2.gz KVYMVYLWVRVXQX-MNOVXSKESA-N 2 0 244.342 1.902 20 0 BDADRP C[C@@H]1C[C@@H](C[N@H+](CCO)C2CCC2)CC[NH2+]1 ZINC000414744088 386337849 /nfs/dbraw/zinc/33/78/49/386337849.db2.gz HUMQKHLKXXMORA-NEPJUHHUSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H]1C[C@H]1C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000336777887 386437274 /nfs/dbraw/zinc/43/72/74/386437274.db2.gz JTJDEQUTWQVTCC-NEPJUHHUSA-N 2 0 226.364 1.079 20 0 BDADRP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H]1CCOC1 ZINC000336718827 386445253 /nfs/dbraw/zinc/44/52/53/386445253.db2.gz XIGIDLCRUHVMAK-UONOGXRCSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@@H]1C[C@@H](C[N@H+](C)[C@@H]2CCC[NH2+]CC2)CC[NH2+]1 ZINC000414753669 386388637 /nfs/dbraw/zinc/38/86/37/386388637.db2.gz QPLUXLMVDWURAZ-HZSPNIEDSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H](O)CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000336703725 386390947 /nfs/dbraw/zinc/39/09/47/386390947.db2.gz BQJAMSMSJSVKOC-ZIAGYGMSSA-N 2 0 240.391 1.565 20 0 BDADRP COC[C@H]1CCCC[N@H+](CCC[NH3+])C1 ZINC000414754053 386391551 /nfs/dbraw/zinc/39/15/51/386391551.db2.gz FOGTYWQLMTZVAD-NSHDSACASA-N 2 0 200.326 1.084 20 0 BDADRP CC[C@](C)(CO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000336704236 386393460 /nfs/dbraw/zinc/39/34/60/386393460.db2.gz PTAFEPPPCQQHOD-FRRDWIJNSA-N 2 0 226.364 1.364 20 0 BDADRP CC(C)CO[C@@H]1CC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647891477 386393809 /nfs/dbraw/zinc/39/38/09/386393809.db2.gz IOUUNAKUFZMHJR-QWHCGFSZSA-N 2 0 226.364 1.343 20 0 BDADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)C1(C)CC1 ZINC000336732533 386400247 /nfs/dbraw/zinc/40/02/47/386400247.db2.gz FXZPNPAISJVLMO-NSHDSACASA-N 2 0 226.364 1.221 20 0 BDADRP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]C[C@H]1CC[NH2+]C1 ZINC000647992257 386451425 /nfs/dbraw/zinc/45/14/25/386451425.db2.gz YDSSBHHKPOZCPP-IHRRRGAJSA-N 2 0 240.391 1.779 20 0 BDADRP Cc1c(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)cnn1C ZINC000415009078 386404244 /nfs/dbraw/zinc/40/42/44/386404244.db2.gz TVPOQUCPFDBPOE-YPMHNXCESA-N 2 0 236.363 1.336 20 0 BDADRP c1ccc2c(NC[C@@H]3C[NH2+]CCO3)cc[nH+]c2c1 ZINC000134273891 386405957 /nfs/dbraw/zinc/40/59/57/386405957.db2.gz PDCBDHYPQGPDKB-NSHDSACASA-N 2 0 243.310 1.635 20 0 BDADRP Cc1ccc(CCC[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cn1 ZINC000339407085 386410183 /nfs/dbraw/zinc/41/01/83/386410183.db2.gz KWWDFFBUYCNOTN-UKRRQHHQSA-N 2 0 247.386 1.992 20 0 BDADRP C[C@@H]1C[C@@H](C[N@H+](C)CC[C@@H]2CCCO2)CC[NH2+]1 ZINC000414759968 386413347 /nfs/dbraw/zinc/41/33/47/386413347.db2.gz PMEINXCSWQWPLN-RDBSUJKOSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1ccc(CCC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000339410453 386413606 /nfs/dbraw/zinc/41/36/06/386413606.db2.gz TZYKRIJFPBRNPF-HUUCEWRRSA-N 2 0 245.370 1.474 20 0 BDADRP Oc1cccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000415009333 386418269 /nfs/dbraw/zinc/41/82/69/386418269.db2.gz NWSMLEOQQORFRS-LSDHHAIUSA-N 2 0 246.354 1.870 20 0 BDADRP C[C@H](O)CCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339427789 386420497 /nfs/dbraw/zinc/42/04/97/386420497.db2.gz BOZFJUJYPPSTQH-KBPBESRZSA-N 2 0 240.391 1.565 20 0 BDADRP CCCN(C[C@H]1CC[NH2+]C1)C1CC[NH2+]CC1 ZINC000647894288 386430231 /nfs/dbraw/zinc/43/02/31/386430231.db2.gz KRXWBUZKKWXMLV-LBPRGKRZSA-N 2 0 225.380 1.060 20 0 BDADRP C[N@H+](CC[C@H]1CCCC[NH+]1C)CC1(O)CCC1 ZINC000336713548 386431086 /nfs/dbraw/zinc/43/10/86/386431086.db2.gz PUHPKFMATMKKQU-CYBMUJFWSA-N 2 0 240.391 1.708 20 0 BDADRP Cn1cccc1CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000277467248 386436321 /nfs/dbraw/zinc/43/63/21/386436321.db2.gz LUWXZGJEHTZZFB-CYBMUJFWSA-N 2 0 235.375 1.941 20 0 BDADRP C[C@@H]1CCN(C[C@@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000414774603 386469066 /nfs/dbraw/zinc/46/90/66/386469066.db2.gz YOQSTCXCVRSECF-JHJVBQTASA-N 2 0 225.380 1.045 20 0 BDADRP CC(C)(C)[NH2+]CCN1CC[NH2+]C[C@@](C)(F)C1 ZINC000414775707 386475045 /nfs/dbraw/zinc/47/50/45/386475045.db2.gz MNVADFQXHZCMIO-GFCCVEGCSA-N 2 0 231.359 1.008 20 0 BDADRP CC[C@H]1C[N@H+](CCC2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000647934505 386475181 /nfs/dbraw/zinc/47/51/81/386475181.db2.gz HKURNNKAVCNNPO-UONOGXRCSA-N 3 0 239.407 1.435 20 0 BDADRP Cc1ncsc1CC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000391204693 386480631 /nfs/dbraw/zinc/48/06/31/386480631.db2.gz ZHADTGRMVYDSQH-MNOVXSKESA-N 2 0 239.388 1.711 20 0 BDADRP Cc1ncsc1CC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000391204692 386481350 /nfs/dbraw/zinc/48/13/50/386481350.db2.gz ZHADTGRMVYDSQH-GHMZBOCLSA-N 2 0 239.388 1.711 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CC[C@H]1CCOC1 ZINC000415042989 386528925 /nfs/dbraw/zinc/52/89/25/386528925.db2.gz RADUBOQFRVTKTN-QWRGUYRKSA-N 2 0 212.337 1.143 20 0 BDADRP CCOC[C@H](C)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415011222 386488123 /nfs/dbraw/zinc/48/81/23/386488123.db2.gz QPDGLOCMYDUMQN-WCFLWFBJSA-N 2 0 226.364 1.389 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[NH2+][C@H](C)CCCC[NH3+] ZINC000415011687 386488932 /nfs/dbraw/zinc/48/89/32/386488932.db2.gz HUZMQFIRQDZCED-VXGBXAGGSA-N 3 0 215.385 1.467 20 0 BDADRP C[C@@H]1C[C@H]1C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414780330 386495185 /nfs/dbraw/zinc/49/51/85/386495185.db2.gz LIKUCWYIHKKDKM-AGIUHOORSA-N 2 0 238.375 1.330 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]Cc1nc2ccccc2n1C ZINC000415016481 386502217 /nfs/dbraw/zinc/50/22/17/386502217.db2.gz CIAPJUDAHJMBOJ-NSHDSACASA-N 2 0 246.358 1.790 20 0 BDADRP CCc1nc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cs1 ZINC000415044471 386529726 /nfs/dbraw/zinc/52/97/26/386529726.db2.gz SRPABBULEBVJLW-VHSXEESVSA-N 2 0 239.388 1.923 20 0 BDADRP COc1cc(C)nc(CN[C@H](C)[C@H](C)[NH3+])c1 ZINC000415016766 386504144 /nfs/dbraw/zinc/50/41/44/386504144.db2.gz OSWXSCMHFFPWLB-VHSXEESVSA-N 2 0 223.320 1.224 20 0 BDADRP Cn1ncc(Cl)c1C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415051899 386509176 /nfs/dbraw/zinc/50/91/76/386509176.db2.gz ZZBGAFYEXSDVIX-DTWKUNHWSA-N 2 0 242.754 1.291 20 0 BDADRP COC[C@H](CC(C)C)[NH2+][C@@H](C)CCC[NH3+] ZINC000415028007 386516394 /nfs/dbraw/zinc/51/63/94/386516394.db2.gz XRVVXXNRSNCAFR-RYUDHWBXSA-N 2 0 216.369 1.765 20 0 BDADRP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000415033997 386521213 /nfs/dbraw/zinc/52/12/13/386521213.db2.gz JITPPCPISYQULP-FHUSYTEZSA-N 2 0 208.349 1.620 20 0 BDADRP C[C@@H](CCc1ccc(F)cc1)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415037667 386523332 /nfs/dbraw/zinc/52/33/32/386523332.db2.gz NAELLECIRUOMKD-BSLXNSKLSA-N 2 0 248.345 1.954 20 0 BDADRP C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C1 ZINC000415040908 386527395 /nfs/dbraw/zinc/52/73/95/386527395.db2.gz OQLNMMUURQCAFS-UPJWGTAASA-N 2 0 226.364 1.533 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)CC(C)C ZINC000417363042 386576761 /nfs/dbraw/zinc/57/67/61/386576761.db2.gz LDUYGKWIVYQHFW-IHRRRGAJSA-N 2 0 242.407 1.977 20 0 BDADRP C(C[C@H]1CCOC1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415076240 386579427 /nfs/dbraw/zinc/57/94/27/386579427.db2.gz RWHFNQODAPUKNF-NWDGAFQWSA-N 2 0 212.337 1.145 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[NH2+][C@@H](C)C1CCOCC1 ZINC000415076271 386580067 /nfs/dbraw/zinc/58/00/67/386580067.db2.gz ARXZBRRYNOXFCJ-WCQYABFASA-N 2 0 228.380 1.765 20 0 BDADRP CSCC[N@@H+]1CCC[C@H](c2nccn2C)C1 ZINC000365650128 386581059 /nfs/dbraw/zinc/58/10/59/386581059.db2.gz QNLKPAJLNWVXBC-NSHDSACASA-N 2 0 239.388 1.963 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+][C@@H](C)Cn1cccn1 ZINC000415079876 386583573 /nfs/dbraw/zinc/58/35/73/386583573.db2.gz IJSCXISYTRGHDM-RYUDHWBXSA-N 2 0 224.352 1.235 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1CCCC[NH2+]C1 ZINC000415080122 386586911 /nfs/dbraw/zinc/58/69/11/386586911.db2.gz YCHZDMZXERDAEG-FRRDWIJNSA-N 2 0 225.380 1.249 20 0 BDADRP CC(C)(C)[NH2+]CCN[C@@H]1CCCC[NH2+]C1 ZINC000415080957 386592685 /nfs/dbraw/zinc/59/26/85/386592685.db2.gz ZJUDBRPVZJPNPO-LLVKDONJSA-N 2 0 213.369 1.106 20 0 BDADRP [NH3+]C1CCC([NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)CC1 ZINC000415083105 386594924 /nfs/dbraw/zinc/59/49/24/386594924.db2.gz FFRMJKMSVHKQJD-YTPFDHIKSA-N 2 0 238.375 1.804 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CNC[C@@H]1CCC[NH2+]C1 ZINC000415083292 386595102 /nfs/dbraw/zinc/59/51/02/386595102.db2.gz PQMJGMSTQHUKGS-ZIAGYGMSSA-N 2 0 239.407 1.450 20 0 BDADRP C([NH2+][C@H]1CCC[C@H]2OCC[C@H]21)C1CC[NH2+]CC1 ZINC000415083860 386595888 /nfs/dbraw/zinc/59/58/88/386595888.db2.gz FXHAYRKWYQXMQJ-MELADBBJSA-N 2 0 238.375 1.533 20 0 BDADRP CCCC[C@H](COC)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415045154 386532053 /nfs/dbraw/zinc/53/20/53/386532053.db2.gz SPTJHFXFGLEKMW-CHWSQXEVSA-N 2 0 244.379 1.160 20 0 BDADRP CC(C)[NH+]1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000062911263 386532337 /nfs/dbraw/zinc/53/23/37/386532337.db2.gz YAAJZYXOEXTJTE-CYBMUJFWSA-N 2 0 225.380 1.012 20 0 BDADRP C[N@H+](C[C@@H]1CCCCO1)C[C@]1(C)CC[NH2+]C1 ZINC000062911670 386532804 /nfs/dbraw/zinc/53/28/04/386532804.db2.gz MFEHWYIUWSNTSR-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP COCC(C)(C)C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414917289 386533108 /nfs/dbraw/zinc/53/31/08/386533108.db2.gz RDYIQROEDWYCFQ-ZDUSSCGKSA-N 2 0 228.380 1.638 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@H]1C ZINC000415054111 386537744 /nfs/dbraw/zinc/53/77/44/386537744.db2.gz FDMSCGIGXIAPPN-PTEOKISQSA-N 2 0 208.349 1.619 20 0 BDADRP CC(C)(C)[C@H](C[NH3+])NCc1cccc(O)c1 ZINC000415056296 386538284 /nfs/dbraw/zinc/53/82/84/386538284.db2.gz PUOBAHVOHUOCHQ-LBPRGKRZSA-N 2 0 222.332 1.855 20 0 BDADRP C[C@H]1CC2(C[N@@H+]1C[C@@H]1CC[NH2+]C1)CC[NH2+]CC2 ZINC000647995364 386538825 /nfs/dbraw/zinc/53/88/25/386538825.db2.gz RPIGZJNYKRHUMH-QWHCGFSZSA-N 3 0 237.391 1.060 20 0 BDADRP Cc1cnc(CN[C@@H](C[NH3+])C(C)(C)C)cn1 ZINC000415056511 386539203 /nfs/dbraw/zinc/53/92/03/386539203.db2.gz QUTXCPWXEBOZLE-NSHDSACASA-N 2 0 222.336 1.248 20 0 BDADRP C[C@H]1CC2(C[N@@H+]1C[C@H]1CC[NH2+]C1)CC[NH2+]CC2 ZINC000647995365 386539494 /nfs/dbraw/zinc/53/94/94/386539494.db2.gz RPIGZJNYKRHUMH-STQMWFEESA-N 3 0 237.391 1.060 20 0 BDADRP CC(C)(C)[C@H](C[NH3+])NCc1cccc(C(N)=O)c1 ZINC000415060042 386540939 /nfs/dbraw/zinc/54/09/39/386540939.db2.gz VXYGFIUWYIGYFD-LBPRGKRZSA-N 2 0 249.358 1.249 20 0 BDADRP Cc1nc(F)ccc1C[NH2+]C[C@@H]1CCCN1C ZINC000278536023 386541230 /nfs/dbraw/zinc/54/12/30/386541230.db2.gz SMTLHKOHCPSHAD-LBPRGKRZSA-N 2 0 237.322 1.713 20 0 BDADRP c1ccc2c(c1)CC[C@H]([NH2+]CC1C[NH2+]C1)CO2 ZINC000335463456 386547698 /nfs/dbraw/zinc/54/76/98/386547698.db2.gz UXVVFZHFHOLIQM-ZDUSSCGKSA-N 2 0 232.327 1.189 20 0 BDADRP C[C@@H](Cc1ccccc1)C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000415068005 386552422 /nfs/dbraw/zinc/55/24/22/386552422.db2.gz LXWYNIGBTQBTJK-JSGCOSHPSA-N 2 0 236.359 1.117 20 0 BDADRP C([C@@H]1CCOC1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063197858 386557083 /nfs/dbraw/zinc/55/70/83/386557083.db2.gz YFUBUGCELNWNNK-GXTWGEPZSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CN(C)CCN1C)C1CCC1 ZINC000336756274 386562272 /nfs/dbraw/zinc/56/22/72/386562272.db2.gz YLHOZCWLCJYTJW-AAEUAGOBSA-N 2 0 225.380 1.010 20 0 BDADRP C(C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1)C1CC[NH2+]CC1 ZINC000335405063 386562348 /nfs/dbraw/zinc/56/23/48/386562348.db2.gz CEMANGUJOLOWOW-KGLIPLIRSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@@H](CC[N@H+](C)C[C@H](O)C[NH3+])c1ccccc1 ZINC000415072568 386563398 /nfs/dbraw/zinc/56/33/98/386563398.db2.gz WUSWUYDDFLREDZ-GXTWGEPZSA-N 2 0 236.359 1.432 20 0 BDADRP COCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976213 386570724 /nfs/dbraw/zinc/57/07/24/386570724.db2.gz LMRYDXZFTHANDG-CHWSQXEVSA-N 2 0 226.364 1.344 20 0 BDADRP CCC(CC)(CCO)C[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC000415075955 386571918 /nfs/dbraw/zinc/57/19/18/386571918.db2.gz BWCREUGFZBLXBT-ZDUSSCGKSA-N 2 0 242.407 1.764 20 0 BDADRP CC[NH+](CC)CCCN1CCC[C@H]([NH2+]C)C1 ZINC000070584512 386573312 /nfs/dbraw/zinc/57/33/12/386573312.db2.gz NIPDLJDCCYBGKU-ZDUSSCGKSA-N 2 0 227.396 1.402 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](O)CC1 ZINC000339779888 386628612 /nfs/dbraw/zinc/62/86/12/386628612.db2.gz MPQQZDVBIHETGP-ZDUSSCGKSA-N 2 0 228.380 1.565 20 0 BDADRP Cc1ccc(C[C@@H](CO)[NH2+]C2CC[NH2+]CC2)cc1 ZINC000415115996 386629761 /nfs/dbraw/zinc/62/97/61/386629761.db2.gz YUSKZBOTZSKJBA-HNNXBMFYSA-N 2 0 248.370 1.240 20 0 BDADRP CC(C)(C)[NH2+]CCNC[C@H]1[NH2+]CCCC1(C)C ZINC000414924853 386631967 /nfs/dbraw/zinc/63/19/67/386631967.db2.gz HWQALMWBMHFNLM-GFCCVEGCSA-N 2 0 241.423 1.742 20 0 BDADRP CC(C)C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000415127432 386633590 /nfs/dbraw/zinc/63/35/90/386633590.db2.gz NAUPOZKABYZISH-GFCCVEGCSA-N 2 0 237.351 1.030 20 0 BDADRP C[C@H]([NH3+])c1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000414811626 386638113 /nfs/dbraw/zinc/63/81/13/386638113.db2.gz PZTASMLQRGKKIM-JSGCOSHPSA-N 3 0 247.386 1.796 20 0 BDADRP C[C@@H]1[C@@H](CO)CCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000415139988 386638298 /nfs/dbraw/zinc/63/82/98/386638298.db2.gz MLGRUQRRYVFGLM-JHJVBQTASA-N 2 0 226.364 1.079 20 0 BDADRP Cc1ccc(F)cc1CN[C@@H](C[NH3+])C1CC1 ZINC000414812163 386641207 /nfs/dbraw/zinc/64/12/07/386641207.db2.gz WYYBUJRUOWKOGM-ZDUSSCGKSA-N 2 0 222.307 1.961 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000520335004 386649199 /nfs/dbraw/zinc/64/91/99/386649199.db2.gz ZKQOPBTYHJBTLS-IMRBUKKESA-N 2 0 240.391 1.874 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000414814923 386650038 /nfs/dbraw/zinc/65/00/38/386650038.db2.gz ZODVFCOJFHUBRP-GNRIBBGQSA-N 3 0 239.407 1.611 20 0 BDADRP CCCC[C@H](CN)[NH2+]CC1CC[NH2+]CC1 ZINC000414814882 386650282 /nfs/dbraw/zinc/65/02/82/386650282.db2.gz OLYPIXRZPJBBGH-GFCCVEGCSA-N 2 0 213.369 1.093 20 0 BDADRP CC1(C)CCC[C@@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C1 ZINC000335487470 386602587 /nfs/dbraw/zinc/60/25/87/386602587.db2.gz LQNDQKZSGDDPMG-CHWSQXEVSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@]1(C[NH2+]Cc2cccc(F)c2)CC[NH2+]C1 ZINC000415086571 386603990 /nfs/dbraw/zinc/60/39/90/386603990.db2.gz RZPMHNZRXPWFIF-CYBMUJFWSA-N 2 0 222.307 1.915 20 0 BDADRP CCC(CC)[C@@H](O)C[NH2+]C[C@@H]([NH3+])CC(C)C ZINC000415087318 386606466 /nfs/dbraw/zinc/60/64/66/386606466.db2.gz SSKSESSZZWLDSH-STQMWFEESA-N 2 0 230.396 1.747 20 0 BDADRP C(C[NH2+]C1CCCCCC1)N[C@H]1CC[NH2+]C1 ZINC000414805076 386609198 /nfs/dbraw/zinc/60/91/98/386609198.db2.gz LQXUWMSXOCNEAC-ZDUSSCGKSA-N 2 0 225.380 1.250 20 0 BDADRP C([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)[C@@H]1CCC[NH2+]C1 ZINC000415091792 386609441 /nfs/dbraw/zinc/60/94/41/386609441.db2.gz QWVXIGOCAXUFGH-RQJABVFESA-N 2 0 238.375 1.533 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H]2CCO)CC[NH2+]1 ZINC000415090394 386610340 /nfs/dbraw/zinc/61/03/40/386610340.db2.gz ALLGJYWPISGBGF-FRRDWIJNSA-N 2 0 226.364 1.221 20 0 BDADRP Cc1cn[nH]c1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000414807855 386611887 /nfs/dbraw/zinc/61/18/87/386611887.db2.gz RPNJBTPMTTYTEF-QWRGUYRKSA-N 2 0 222.336 1.325 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)C1CCOCC1 ZINC000415093567 386612804 /nfs/dbraw/zinc/61/28/04/386612804.db2.gz VSIGCASEYUYARS-JHJVBQTASA-N 2 0 240.391 1.779 20 0 BDADRP CC[NH+](CC)CCC[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415096302 386614826 /nfs/dbraw/zinc/61/48/26/386614826.db2.gz AXUBQLVYWDWDQQ-ZIAGYGMSSA-N 3 0 241.423 1.696 20 0 BDADRP C[C@H](NCC[NH2+]C(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC000414818728 386666850 /nfs/dbraw/zinc/66/68/50/386666850.db2.gz FUSXXEKHUOVLRC-NWDGAFQWSA-N 2 0 227.396 1.352 20 0 BDADRP C[C@H]([NH3+])CCN[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000414820869 386673078 /nfs/dbraw/zinc/67/30/78/386673078.db2.gz KBSUFSJYZIVWKI-NWANDNLSSA-N 2 0 247.386 1.807 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1NCc1ccc2c[nH+]cn2c1 ZINC000335530629 386677130 /nfs/dbraw/zinc/67/71/30/386677130.db2.gz AWNZLUPDCQLRET-CHWSQXEVSA-N 2 0 230.315 1.304 20 0 BDADRP C(C1CC1)[NH+]1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000042491259 386684901 /nfs/dbraw/zinc/68/49/01/386684901.db2.gz DCXFOENXZGGJLQ-CQSZACIVSA-N 2 0 237.391 1.014 20 0 BDADRP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)[C@@H]1CCC[NH2+]C1 ZINC000414825350 386691436 /nfs/dbraw/zinc/69/14/36/386691436.db2.gz SHIVCJFWSCPXNM-RJZJGCCBSA-N 3 0 239.407 1.482 20 0 BDADRP CCCC[C@H](COC)[NH2+]CC[C@H](C)[NH3+] ZINC000414825556 386691944 /nfs/dbraw/zinc/69/19/44/386691944.db2.gz TTWBIGLVDSYGJN-WDEREUQCSA-N 2 0 202.342 1.519 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1cccc2c1NCC2 ZINC000414835957 386730666 /nfs/dbraw/zinc/73/06/66/386730666.db2.gz IWIVZCVWXRZVRF-LLVKDONJSA-N 2 0 233.359 1.600 20 0 BDADRP CCC[NH2+][C@@H](C)c1nc(C2([NH3+])CCCC2)no1 ZINC000414497040 386737637 /nfs/dbraw/zinc/73/76/37/386737637.db2.gz ZYXRYNIYDYDSCI-VIFPVBQESA-N 2 0 238.335 1.858 20 0 BDADRP C1CC1[C@H]1CCC[C@@H]1[NH2+]C1CC[NH2+]CC1 ZINC000335483602 386713002 /nfs/dbraw/zinc/71/30/02/386713002.db2.gz ORXWETOVCJOJFX-OLZOCXBDSA-N 2 0 208.349 1.907 20 0 BDADRP CCS[C@@H]1CCCC[N@H+](CCOCC[NH3+])C1 ZINC000357084381 386714212 /nfs/dbraw/zinc/71/42/12/386714212.db2.gz PZFFSJDAZNHRNT-GFCCVEGCSA-N 2 0 246.420 1.569 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc2c(c1)ncn2C ZINC000414832098 386717031 /nfs/dbraw/zinc/71/70/31/386717031.db2.gz DSKFFDDGQRGJII-NSHDSACASA-N 2 0 246.358 1.518 20 0 BDADRP CC(C)C[C@@H](CN)[NH2+]C1CCC(C[NH3+])CC1 ZINC000414832519 386717300 /nfs/dbraw/zinc/71/73/00/386717300.db2.gz DQXNFZZTTMFIHE-BPCQOVAHSA-N 2 0 227.396 1.467 20 0 BDADRP CCCCOCC[NH2+]CC1([NH3+])CCC1 ZINC000336760711 386719757 /nfs/dbraw/zinc/71/97/57/386719757.db2.gz MLXXGUTXLHMAIH-UHFFFAOYSA-N 2 0 200.326 1.274 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+]CC1([NH3+])CCCCC1 ZINC000414838801 386740204 /nfs/dbraw/zinc/74/02/04/386740204.db2.gz IRRPFVLOCCGGHG-GFCCVEGCSA-N 2 0 236.363 1.523 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414834236 386723349 /nfs/dbraw/zinc/72/33/49/386723349.db2.gz HDFGLKNIZARGRH-RDBSUJKOSA-N 3 0 239.407 1.496 20 0 BDADRP C[C@H]1CCC[C@@H]1[NH2+]CCCN(C)CC[NH+](C)C ZINC000623087812 386724252 /nfs/dbraw/zinc/72/42/52/386724252.db2.gz JOQWKUWIDPCZEK-KBPBESRZSA-N 2 0 241.423 1.648 20 0 BDADRP C[C@H]1CC2(C[N@@H+]1CC1(C[NH3+])CC1)CC[NH2+]CC2 ZINC000335543087 386728120 /nfs/dbraw/zinc/72/81/20/386728120.db2.gz IEKQOJVKVDFWCJ-LBPRGKRZSA-N 3 0 237.391 1.189 20 0 BDADRP CC(C)C[C@H](CN)[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414842110 386748877 /nfs/dbraw/zinc/74/88/77/386748877.db2.gz NRVMWZIWQALHIZ-YNEHKIRRSA-N 2 0 227.396 1.338 20 0 BDADRP CC(C)[C@@H]([NH3+])CCN(C)C[C@]1(C)CC[NH2+]C1 ZINC000340707255 386750303 /nfs/dbraw/zinc/75/03/03/386750303.db2.gz INPRDMOHVGVVRP-QWHCGFSZSA-N 3 0 227.396 1.291 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1CCCSC1 ZINC000414840811 386751932 /nfs/dbraw/zinc/75/19/32/386751932.db2.gz NMNPIMOBNFTWSD-NXEZZACHSA-N 2 0 202.367 1.327 20 0 BDADRP C[NH+]1CCC(CC[NH2+]Cc2cocn2)CC1 ZINC000192308021 386757013 /nfs/dbraw/zinc/75/70/13/386757013.db2.gz REGJTWNCWWODAY-UHFFFAOYSA-N 2 0 223.320 1.496 20 0 BDADRP CC[C@@H](COC)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414843630 386762917 /nfs/dbraw/zinc/76/29/17/386762917.db2.gz QLPMCZBYPFVLMS-NEPJUHHUSA-N 2 0 214.353 1.391 20 0 BDADRP COC[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)C(C)C ZINC000336761488 386764985 /nfs/dbraw/zinc/76/49/85/386764985.db2.gz KOIIQQSHFBUTNO-CYBMUJFWSA-N 2 0 226.364 1.509 20 0 BDADRP CC[C@H]([NH3+])C(=O)N(CCC[NH3+])CC1CCCC1 ZINC000357361145 386766985 /nfs/dbraw/zinc/76/69/85/386766985.db2.gz DVJYMPGFSAGPJP-LBPRGKRZSA-N 2 0 241.379 1.091 20 0 BDADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000020439804 386794908 /nfs/dbraw/zinc/79/49/08/386794908.db2.gz KVSXYXMZLSWKBW-GFCCVEGCSA-N 2 0 219.332 1.642 20 0 BDADRP CC[C@H]1CCC[N@@H+]1C[C@H](O)CN(C)C1CC1 ZINC000336665657 386771637 /nfs/dbraw/zinc/77/16/37/386771637.db2.gz PQDWOJZWULQLPK-WCQYABFASA-N 2 0 226.364 1.316 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000396601322 386787835 /nfs/dbraw/zinc/78/78/35/386787835.db2.gz XKGPKQXVEHNOSD-XUXIUFHCSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@H]([NH2+]Cc1cccc(O)c1)[C@H]1CCC[NH2+]C1 ZINC000414846258 386817667 /nfs/dbraw/zinc/81/76/67/386817667.db2.gz DVKMUFPTEFGCNN-AAEUAGOBSA-N 2 0 234.343 1.870 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+][C@@H](C)CCCC[NH3+] ZINC000336671590 386817934 /nfs/dbraw/zinc/81/79/34/386817934.db2.gz SJTJKAXHYYFTFA-NWDGAFQWSA-N 2 0 224.352 1.379 20 0 BDADRP CC[C@@H]1C[C@@H](C[NH2+]C2(C)CC[NH2+]CC2)CCO1 ZINC000414936114 386821723 /nfs/dbraw/zinc/82/17/23/386821723.db2.gz GOPQDPZPZPODIV-QWHCGFSZSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CCCS1 ZINC000336672667 386821860 /nfs/dbraw/zinc/82/18/60/386821860.db2.gz AQQLWPUMOSFTPM-WDEREUQCSA-N 2 0 216.394 1.989 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CCCS1 ZINC000336672666 386822161 /nfs/dbraw/zinc/82/21/61/386822161.db2.gz AQQLWPUMOSFTPM-QWRGUYRKSA-N 2 0 216.394 1.989 20 0 BDADRP CNC(=O)CCC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000398452082 386823516 /nfs/dbraw/zinc/82/35/16/386823516.db2.gz OIGPFFVLKUGHES-CHWSQXEVSA-N 2 0 247.342 1.247 20 0 BDADRP c1cc2c(ncnc2NCC[N@H+]2CC=CCC2)[nH]1 ZINC000280375023 386808709 /nfs/dbraw/zinc/80/87/09/386808709.db2.gz YTXBLBQPCCSEIE-UHFFFAOYSA-N 2 0 243.314 1.632 20 0 BDADRP Cc1cccc2ncc(CN[C@@H](C)C[NH3+])n21 ZINC000414937675 386838681 /nfs/dbraw/zinc/83/86/81/386838681.db2.gz DQNULULRANOQBZ-VIFPVBQESA-N 2 0 218.304 1.080 20 0 BDADRP Cc1ccc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c(C)n1 ZINC000334785336 386845141 /nfs/dbraw/zinc/84/51/41/386845141.db2.gz ODFCHBGKCPPZHP-YPMHNXCESA-N 2 0 233.359 1.868 20 0 BDADRP C[C@H]1CCC[C@H](C)[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000334787863 386849408 /nfs/dbraw/zinc/84/94/08/386849408.db2.gz YPSNOVMPDQIKDL-KBPBESRZSA-N 2 0 239.407 1.402 20 0 BDADRP COC1CCC([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000334845288 386891769 /nfs/dbraw/zinc/89/17/69/386891769.db2.gz FDHXNJDUHJFVQS-GMKTYKIGSA-N 2 0 226.364 1.804 20 0 BDADRP COC1CCC([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000334845290 386892152 /nfs/dbraw/zinc/89/21/52/386892152.db2.gz FDHXNJDUHJFVQS-IGJPJIBNSA-N 2 0 226.364 1.804 20 0 BDADRP Cc1ncccc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000334845196 386892731 /nfs/dbraw/zinc/89/27/31/386892731.db2.gz JOFPFTFREVLZSF-CHWSQXEVSA-N 2 0 219.332 1.750 20 0 BDADRP C[C@H](C[NH3+])NCc1ccc(OCC2CC2)cc1 ZINC000414939253 386869649 /nfs/dbraw/zinc/86/96/49/386869649.db2.gz ZMEGKOBQIWXSPT-LLVKDONJSA-N 2 0 234.343 1.912 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCOCC3(CC3)C2)CC[NH2+]1 ZINC000334832926 386870655 /nfs/dbraw/zinc/87/06/55/386870655.db2.gz IVBXPKOTTVGPLC-OLZOCXBDSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCOCC3(CC3)C2)CC[NH2+]1 ZINC000334832925 386871449 /nfs/dbraw/zinc/87/14/49/386871449.db2.gz IVBXPKOTTVGPLC-CHWSQXEVSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+]CC1([NH3+])CCCCCC1 ZINC000334835861 386877036 /nfs/dbraw/zinc/87/70/36/386877036.db2.gz BIMKXCBROKKOOR-RYUDHWBXSA-N 2 0 226.364 1.805 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+]C2CCN(C)CC2)C12CCC2 ZINC000308389206 386894762 /nfs/dbraw/zinc/89/47/62/386894762.db2.gz ICLYVSWTGUJJRB-QWHCGFSZSA-N 2 0 238.375 1.628 20 0 BDADRP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000331664599 386878622 /nfs/dbraw/zinc/87/86/22/386878622.db2.gz QUDVBWWNNGTRIX-QJPTWQEYSA-N 2 0 240.347 1.060 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@H]2O)c2ccccc21 ZINC000331727334 386885550 /nfs/dbraw/zinc/88/55/50/386885550.db2.gz NZWFOZASLSXFEW-FBUXBERBSA-N 2 0 246.354 1.882 20 0 BDADRP COc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414940987 386888280 /nfs/dbraw/zinc/88/82/80/386888280.db2.gz CFTXKPQBRMGGDN-DGCLKSJQSA-N 2 0 234.343 1.925 20 0 BDADRP C[C@@H]([NH2+]C1CC[NH2+]CC1)[C@H]1COc2ccccc21 ZINC000334848843 386896726 /nfs/dbraw/zinc/89/67/26/386896726.db2.gz LVDLNYHEIKJFPG-BXUZGUMPSA-N 2 0 246.354 1.893 20 0 BDADRP C[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1cc[nH]c(=O)c1 ZINC000340443081 386900062 /nfs/dbraw/zinc/90/00/62/386900062.db2.gz CQQAJEOZQBEDKU-GVXVVHGQSA-N 2 0 249.358 1.921 20 0 BDADRP CC[C@@H]1C[C@H](C[N@@H+]2CCC[NH2+]CC2)CCO1 ZINC000334850919 386900194 /nfs/dbraw/zinc/90/01/94/386900194.db2.gz AXJXGSWNDHPIAN-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP COc1cccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000414943411 386905378 /nfs/dbraw/zinc/90/53/78/386905378.db2.gz FNTGPAICDCROJN-WCQYABFASA-N 2 0 234.343 1.925 20 0 BDADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc2c1NCC2 ZINC000334858359 386910659 /nfs/dbraw/zinc/91/06/59/386910659.db2.gz RVARNAHTQDOLSX-SMDDNHRTSA-N 2 0 245.370 1.742 20 0 BDADRP C[C@@H]1C[C@@H](C[NH+]2CCC(C)(CO)CC2)CC[NH2+]1 ZINC000334865717 386921610 /nfs/dbraw/zinc/92/16/10/386921610.db2.gz LXEHSWZZMIQFNN-OLZOCXBDSA-N 2 0 240.391 1.469 20 0 BDADRP Cc1n[nH]c(C)c1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000334820027 386947348 /nfs/dbraw/zinc/94/73/48/386947348.db2.gz LCTKJRZYXZANSY-BXKDBHETSA-N 2 0 236.363 1.443 20 0 BDADRP CC[C@H](O)CC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000331903129 386924004 /nfs/dbraw/zinc/92/40/04/386924004.db2.gz FJMLYWRIQJIRDM-TUAOUCFPSA-N 2 0 214.353 1.397 20 0 BDADRP CO[C@]1(C)C[C@H]([NH2+][C@H]2CN(C)C[C@H]2C)C1(C)C ZINC000358396810 386947511 /nfs/dbraw/zinc/94/75/11/386947511.db2.gz JSXVSGDFKHZAAA-OWTLIXCDSA-N 2 0 240.391 1.730 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCc2cccnc2)C1 ZINC000161708997 386927438 /nfs/dbraw/zinc/92/74/38/386927438.db2.gz JVPXDOPBNYMPKD-YPMHNXCESA-N 2 0 219.332 1.293 20 0 BDADRP [NH3+][C@@H]1C[C@@H](N[C@H]2CCC[C@@H]([NH3+])C2)c2ccccc21 ZINC000331968979 386933344 /nfs/dbraw/zinc/93/33/44/386933344.db2.gz JLLKMCKEAIZPDB-BAESOJJISA-N 2 0 245.370 1.991 20 0 BDADRP CC1(C)CCCC[C@H]1[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000334875864 386936880 /nfs/dbraw/zinc/93/68/80/386936880.db2.gz XVZHPKNTNSMLAG-QWHCGFSZSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccncc2)C1 ZINC000162188178 386948050 /nfs/dbraw/zinc/94/80/50/386948050.db2.gz ZRXCTXRPLBVRIS-PWSUYJOCSA-N 2 0 205.305 1.251 20 0 BDADRP CC(C)[C@@](C)(O)C[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000352902646 386954763 /nfs/dbraw/zinc/95/47/63/386954763.db2.gz NSVDETZQSVHPGH-XBFCOCLRSA-N 2 0 240.391 1.466 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@H]1CC[C@H]1SC ZINC000425352045 386961160 /nfs/dbraw/zinc/96/11/60/386961160.db2.gz HKGJRQJLAAZVQQ-NWDGAFQWSA-N 2 0 246.420 1.438 20 0 BDADRP CS[C@H]1CC[C@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000425353842 386963542 /nfs/dbraw/zinc/96/35/42/386963542.db2.gz NJYSVHUZTDGBFC-NEPJUHHUSA-N 2 0 226.389 1.732 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2CCCCC[C@@H]2[NH3+])CC[NH2+]1 ZINC000332238089 386969150 /nfs/dbraw/zinc/96/91/50/386969150.db2.gz HRTWHWUFFBMFNH-FVCCEPFGSA-N 2 0 225.380 1.377 20 0 BDADRP C[C@]1(CN[C@@H]2CCCCC[C@H]2[NH3+])CCC[NH2+]C1 ZINC000332286309 386969612 /nfs/dbraw/zinc/96/96/12/386969612.db2.gz GSYZKLZELDFGFW-MCIONIFRSA-N 2 0 239.407 1.626 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)[C@]1(CC)CC[NH2+]C1 ZINC000368565886 386988181 /nfs/dbraw/zinc/98/81/81/386988181.db2.gz DWVQFNVQTDHBLJ-GFCCVEGCSA-N 2 0 241.379 1.010 20 0 BDADRP CC[C@H](CNC(N)=[NH2+])[N@@H+]1CCc2ccccc2C1 ZINC000303255166 386997085 /nfs/dbraw/zinc/99/70/85/386997085.db2.gz GBZBBIRWZPIJIM-CYBMUJFWSA-N 2 0 246.358 1.306 20 0 BDADRP Cc1c[nH]nc1CN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000334820661 386949772 /nfs/dbraw/zinc/94/97/72/386949772.db2.gz MECNUFBBIDXEOP-ONGXEEELSA-N 2 0 222.336 1.135 20 0 BDADRP CC(C)C[C@H](C[NH3+])N[C@@H]1CCC[NH2+]CC1 ZINC000332054031 386950303 /nfs/dbraw/zinc/95/03/03/386950303.db2.gz WTGGYPUWXRBXPD-VXGBXAGGSA-N 2 0 213.369 1.092 20 0 BDADRP Cc1nc(CN2CCC[C@H]([C@@H](C)[NH3+])C2)oc1C ZINC000070174417 387046216 /nfs/dbraw/zinc/04/62/16/387046216.db2.gz ICINCCHESIUFDG-SKDRFNHKSA-N 2 0 237.347 1.851 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccc(O)c1 ZINC000126771042 387046642 /nfs/dbraw/zinc/04/66/42/387046642.db2.gz OWTMIZDXPMWYME-ZYHUDNBSSA-N 2 0 220.316 1.561 20 0 BDADRP C[N@H+](CC[C@H]1CC[NH2+]C1)C1(C(N)=O)CCCC1 ZINC000333710360 387051590 /nfs/dbraw/zinc/05/15/90/387051590.db2.gz SFYPUUOLQLFMNO-LLVKDONJSA-N 2 0 239.363 1.766 20 0 BDADRP C[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)[C@@H](C)CN1C ZINC000334970284 387055154 /nfs/dbraw/zinc/05/51/54/387055154.db2.gz UGYMIWJZXYHQQT-OLZOCXBDSA-N 2 0 239.407 1.401 20 0 BDADRP CC[C@H](O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369654303 387057350 /nfs/dbraw/zinc/05/73/50/387057350.db2.gz CPUYYNNVOGNHHE-XJFOESAGSA-N 2 0 238.375 1.173 20 0 BDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)CC[C@H](C)[NH3+] ZINC000070315026 387063828 /nfs/dbraw/zinc/06/38/28/387063828.db2.gz QROIDWRQEBUHEL-NWDGAFQWSA-N 2 0 241.379 1.104 20 0 BDADRP [NH3+]C[C@H](N[C@@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000333186519 387020813 /nfs/dbraw/zinc/02/08/13/387020813.db2.gz TUAVASWSYYGYMS-KGLIPLIRSA-N 3 0 239.407 1.626 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)[C@H]1CCCC[NH2+]1 ZINC000333241590 387023580 /nfs/dbraw/zinc/02/35/80/387023580.db2.gz DYVPCAXTRPDTFZ-NNYUYHANSA-N 2 0 239.363 1.811 20 0 BDADRP CC[NH+](CC)CC(=O)N[C@H](C)C[NH+](CC)CC ZINC000341691962 387028066 /nfs/dbraw/zinc/02/80/66/387028066.db2.gz CYSIYUXKVLCUKT-GFCCVEGCSA-N 2 0 243.395 1.175 20 0 BDADRP CC[C@H](C)[N@@H+]1CCC[C@](O)(CN(C)C)C1 ZINC000639766717 387070469 /nfs/dbraw/zinc/07/04/69/387070469.db2.gz OLKZROSAKHJZHS-RYUDHWBXSA-N 2 0 214.353 1.173 20 0 BDADRP CCN1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000334983809 387071712 /nfs/dbraw/zinc/07/17/12/387071712.db2.gz QPRKEWHJMDMVPN-CMPLNLGQSA-N 2 0 208.280 1.572 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000359230544 387072423 /nfs/dbraw/zinc/07/24/23/387072423.db2.gz ZSHLRPVAMHPYHK-JSGCOSHPSA-N 3 0 239.407 1.435 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000126912391 387073729 /nfs/dbraw/zinc/07/37/29/387073729.db2.gz GVHVETQWFJFVQT-SMDDNHRTSA-N 2 0 246.354 1.791 20 0 BDADRP CN(CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000359302130 387082549 /nfs/dbraw/zinc/08/25/49/387082549.db2.gz IWIFBQKSPQIPCG-OKILXGFUSA-N 2 0 245.370 1.274 20 0 BDADRP CCc1ccc(CC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000359326167 387085521 /nfs/dbraw/zinc/08/55/21/387085521.db2.gz WZPRHYYPFSEPKD-HZPDHXFCSA-N 2 0 244.382 1.943 20 0 BDADRP C(C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)[C@@H]1CCC[NH2+]C1 ZINC000334996825 387088090 /nfs/dbraw/zinc/08/80/90/387088090.db2.gz VYUNURGCAHGILO-KBPBESRZSA-N 3 0 237.391 1.062 20 0 BDADRP C1C[C@]2(CS1)CCC[N@@H+](C1CC[NH2+]CC1)C2 ZINC000335010168 387104203 /nfs/dbraw/zinc/10/42/03/387104203.db2.gz PBDVOUGJKKVQIB-CYBMUJFWSA-N 2 0 240.416 1.958 20 0 BDADRP C[C@@H]1C[C@@H](NCC2([NH3+])CCCCC2)CC[N@@H+]1C ZINC000335011474 387106533 /nfs/dbraw/zinc/10/65/33/387106533.db2.gz SXIJHRFSZPCIKQ-OLZOCXBDSA-N 2 0 239.407 1.720 20 0 BDADRP C[C@H]1CSC[C@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000335025338 387117297 /nfs/dbraw/zinc/11/72/97/387117297.db2.gz IXVDUTKZQYAUST-WNYYMSAVSA-N 2 0 228.405 1.845 20 0 BDADRP C([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)C1C[NH2+]C1 ZINC000423300999 387132291 /nfs/dbraw/zinc/13/22/91/387132291.db2.gz GNHLAMLTRSZOFU-JHJVBQTASA-N 2 0 236.359 1.143 20 0 BDADRP CC(C)[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1cccnc1 ZINC000423299410 387128733 /nfs/dbraw/zinc/12/87/33/387128733.db2.gz QCUVLMGNILGPPV-WCQYABFASA-N 2 0 221.348 1.963 20 0 BDADRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1cccc(O)c1 ZINC000423344436 387192261 /nfs/dbraw/zinc/19/22/61/387192261.db2.gz MUPKBBOBSUNJKT-LLVKDONJSA-N 2 0 232.327 1.963 20 0 BDADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H](C)C[NH3+])[C@@H]1C ZINC000423306530 387142298 /nfs/dbraw/zinc/14/22/98/387142298.db2.gz LPUFMOJXCDJZNZ-WYUUTHIRSA-N 2 0 242.363 1.149 20 0 BDADRP CCC[NH2+]CCN[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000423312175 387147737 /nfs/dbraw/zinc/14/77/37/387147737.db2.gz RKDYXFSBQPJKTA-RYUDHWBXSA-N 2 0 225.380 1.201 20 0 BDADRP C([NH2+]C(C1CCC1)C1CCC1)C1C[NH2+]C1 ZINC000423312197 387147830 /nfs/dbraw/zinc/14/78/30/387147830.db2.gz CTXPNCGOQXHULN-UHFFFAOYSA-N 2 0 208.349 1.764 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)CCCc1cccnc1 ZINC000423312454 387149268 /nfs/dbraw/zinc/14/92/68/387149268.db2.gz VEZLMUKHUZKUKA-STQMWFEESA-N 2 0 235.375 1.977 20 0 BDADRP CCN(CC)[C@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000249986496 387151581 /nfs/dbraw/zinc/15/15/81/387151581.db2.gz SMKJWTLDQVYBBM-KGLIPLIRSA-N 2 0 239.407 1.402 20 0 BDADRP COC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353391371 387192918 /nfs/dbraw/zinc/19/29/18/387192918.db2.gz CDNJBYSEHDOWBB-JHJVBQTASA-N 2 0 240.391 1.874 20 0 BDADRP CCOC[C@H]1CCC[C@@H]1[NH2+]CC1([NH3+])CCC1 ZINC000423328723 387172087 /nfs/dbraw/zinc/17/20/87/387172087.db2.gz OFMASFUUWGAYHQ-NEPJUHHUSA-N 2 0 226.364 1.663 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC2=CC[NH2+]CC2)[C@@H](C)C1 ZINC000423330255 387175439 /nfs/dbraw/zinc/17/54/39/387175439.db2.gz BQUVRNYAAJQDMF-JSGCOSHPSA-N 3 0 237.391 1.226 20 0 BDADRP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)C1CCSCC1 ZINC000423330178 387175851 /nfs/dbraw/zinc/17/58/51/387175851.db2.gz UAHZEZAGADNFQS-SKDRFNHKSA-N 2 0 228.405 1.845 20 0 BDADRP C[C@@H](CC1CCOCC1)[NH2+]CC1=CC[NH2+]CC1 ZINC000423332542 387178818 /nfs/dbraw/zinc/17/88/18/387178818.db2.gz DIZBBEAIOUBSGN-LBPRGKRZSA-N 2 0 238.375 1.701 20 0 BDADRP C[N@@H+]1CC[C@H](NC[C@H]([NH3+])C2CC2)[C@@H]2CCC[C@H]21 ZINC000423334504 387180193 /nfs/dbraw/zinc/18/01/93/387180193.db2.gz WNXPVNBVBARTQQ-XDQVBPFNSA-N 2 0 237.391 1.186 20 0 BDADRP C[N@@H+]1CC[C@H](NC[C@H]([NH3+])C2CC2)[C@H]2CCC[C@@H]21 ZINC000423334497 387180534 /nfs/dbraw/zinc/18/05/34/387180534.db2.gz WNXPVNBVBARTQQ-RFGFWPKPSA-N 2 0 237.391 1.186 20 0 BDADRP C[N@@H+]1CC[C@H](NC[C@H]([NH3+])C2CC2)[C@@H]2CCC[C@@H]21 ZINC000423334505 387181806 /nfs/dbraw/zinc/18/18/06/387181806.db2.gz WNXPVNBVBARTQQ-XUXIUFHCSA-N 2 0 237.391 1.186 20 0 BDADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)[C@H]1CCCOC1 ZINC000423337858 387186392 /nfs/dbraw/zinc/18/63/92/387186392.db2.gz UHBMQKCOCLWYKW-STQMWFEESA-N 2 0 240.391 1.781 20 0 BDADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)[C@@H]1CCCOC1 ZINC000423337856 387186527 /nfs/dbraw/zinc/18/65/27/387186527.db2.gz UHBMQKCOCLWYKW-QWHCGFSZSA-N 2 0 240.391 1.781 20 0 BDADRP C[NH2+]CCCN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062973419 387190303 /nfs/dbraw/zinc/19/03/03/387190303.db2.gz JUHRGGQIAQRTSG-ZDUSSCGKSA-N 2 0 225.380 1.156 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+]CC2C[NH2+]C2)C1(CC)CC ZINC000423300100 387133462 /nfs/dbraw/zinc/13/34/62/387133462.db2.gz DHELWANEVVCYBV-STQMWFEESA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H]([NH2+]CC1C[NH2+]C1)C1C(C)(C)C1(C)C ZINC000423302196 387135334 /nfs/dbraw/zinc/13/53/34/387135334.db2.gz JFWPJFOTBZYEOD-SECBINFHSA-N 2 0 210.365 1.866 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423305047 387140374 /nfs/dbraw/zinc/14/03/74/387140374.db2.gz KAJOYTAACUWRRW-FVCCEPFGSA-N 2 0 238.375 1.519 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[NH2+]2)[C@@H](C)O1 ZINC000423356215 387208682 /nfs/dbraw/zinc/20/86/82/387208682.db2.gz JPAJQDISIGUYAO-KKOKHZNYSA-N 2 0 212.337 1.284 20 0 BDADRP CC[C@@H](NCC[C@H]1CCC[NH2+]1)[C@@H]1CCCC[NH2+]1 ZINC000423355936 387208727 /nfs/dbraw/zinc/20/87/27/387208727.db2.gz JCZMPKLPPGAYHM-MCIONIFRSA-N 2 0 239.407 1.639 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423425474 387252757 /nfs/dbraw/zinc/25/27/57/387252757.db2.gz GUSFZPZFMTXWLU-GRYCIOLGSA-N 3 0 213.369 1.234 20 0 BDADRP C[NH+](C)[C@H]1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000336381655 387211165 /nfs/dbraw/zinc/21/11/65/387211165.db2.gz XNJQCYYDLLTLML-QWHCGFSZSA-N 2 0 226.364 1.582 20 0 BDADRP CN(CC[C@H]1CCCC[N@@H+]1C)C1CC(O)C1 ZINC000353498378 387215639 /nfs/dbraw/zinc/21/56/39/387215639.db2.gz VCELLXASVXWPAF-PNESKVBLSA-N 2 0 226.364 1.316 20 0 BDADRP CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)C1(C)C ZINC000423364473 387216296 /nfs/dbraw/zinc/21/62/96/387216296.db2.gz OOTBVGFHSJWPNB-UMSGYPCISA-N 2 0 240.391 1.778 20 0 BDADRP C1CC([N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)C1 ZINC000371464175 387219414 /nfs/dbraw/zinc/21/94/14/387219414.db2.gz PHLILYKYWVXWME-UBHSHLNASA-N 2 0 220.360 1.955 20 0 BDADRP Cc1ncc(C[NH2+]CCOCC[NH+](C)C)s1 ZINC000230004538 387223291 /nfs/dbraw/zinc/22/32/91/387223291.db2.gz PRDISVDAIOBFAS-UHFFFAOYSA-N 2 0 243.376 1.119 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+][C@@H](C)CCCOC ZINC000423372983 387225549 /nfs/dbraw/zinc/22/55/49/387225549.db2.gz GMWLVPKJRJDYBB-WDEREUQCSA-N 2 0 202.342 1.389 20 0 BDADRP Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000423372268 387227257 /nfs/dbraw/zinc/22/72/57/387227257.db2.gz HBHFMPAJESDZPA-DLOVCJGASA-N 2 0 236.363 1.649 20 0 BDADRP CC[NH2+][C@H](C)CN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423371635 387227954 /nfs/dbraw/zinc/22/79/54/387227954.db2.gz AOBWBBJRFREAIK-UTUOFQBUSA-N 2 0 213.369 1.105 20 0 BDADRP COCCC[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000230030291 387229540 /nfs/dbraw/zinc/22/95/40/387229540.db2.gz SDEVBJKWOQZVMF-UHFFFAOYSA-N 2 0 236.359 1.874 20 0 BDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@H]1CCC[NH2+][C@H]1C ZINC000423373288 387230219 /nfs/dbraw/zinc/23/02/19/387230219.db2.gz JCGRYNCUQGGILQ-XWUBHJNHSA-N 2 0 237.391 1.199 20 0 BDADRP CC(C)(O)C(C)(C)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000393673904 387230663 /nfs/dbraw/zinc/23/06/63/387230663.db2.gz SCJOQYHKMRJNOF-NWDGAFQWSA-N 2 0 242.407 1.891 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)CC(N)=O ZINC000120330577 387232494 /nfs/dbraw/zinc/23/24/94/387232494.db2.gz GTIYXGWQUUVPDP-NWDGAFQWSA-N 2 0 243.395 1.350 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+]CC2CC[NH2+]CC2)C1 ZINC000643497330 387238007 /nfs/dbraw/zinc/23/80/07/387238007.db2.gz HWNHAUQOPVMWAN-OLZOCXBDSA-N 2 0 226.364 1.533 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000300709485 387238613 /nfs/dbraw/zinc/23/86/13/387238613.db2.gz GWWFJJGUSHFLBX-BFHYXJOUSA-N 2 0 242.407 1.891 20 0 BDADRP CN(C)CC(=O)N1CCN(C)Cc2ccccc21 ZINC000336423467 387253542 /nfs/dbraw/zinc/25/35/42/387253542.db2.gz KGFBMIWLMDWVQZ-UHFFFAOYSA-N 2 0 247.342 1.027 20 0 BDADRP COC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)C(C)C ZINC000423403575 387239872 /nfs/dbraw/zinc/23/98/72/387239872.db2.gz YOZMGIPTIBMQMM-TUAOUCFPSA-N 2 0 214.353 1.388 20 0 BDADRP COCC1(C[NH2+][C@H](C)[C@@H](C)OC)CC[NH2+]CC1 ZINC000423406673 387242951 /nfs/dbraw/zinc/24/29/51/387242951.db2.gz KYWYLDPQNBKPBQ-VXGBXAGGSA-N 2 0 244.379 1.016 20 0 BDADRP C[C@H](Cc1ccoc1)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000423405833 387243181 /nfs/dbraw/zinc/24/31/81/387243181.db2.gz UBKXGZYHJRTWRO-LOWVWBTDSA-N 2 0 222.332 1.798 20 0 BDADRP CC[C@@H]1CC[C@H]1[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000423413609 387244971 /nfs/dbraw/zinc/24/49/71/387244971.db2.gz LAQSPKCJXJOSFS-JHJVBQTASA-N 2 0 226.364 1.533 20 0 BDADRP CC[C@@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)C1CCC1 ZINC000423414579 387246417 /nfs/dbraw/zinc/24/64/17/387246417.db2.gz NERMOHBJMCANIO-ZIAGYGMSSA-N 2 0 240.391 1.923 20 0 BDADRP COC[C@]1(C[NH2+][C@H](C)[C@@H]2C[C@@H]2C)CCC[NH2+]1 ZINC000423409508 387246440 /nfs/dbraw/zinc/24/64/40/387246440.db2.gz BTIAYOVZBJUFKD-UMSGYPCISA-N 2 0 226.364 1.389 20 0 BDADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)[C@@H]1CCCC[NH2+]1 ZINC000423344812 387195587 /nfs/dbraw/zinc/19/55/87/387195587.db2.gz YEXPDZUUJSNTHL-STQMWFEESA-N 3 0 239.407 1.496 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423348891 387198944 /nfs/dbraw/zinc/19/89/44/387198944.db2.gz UTLYSCZYOSXTEX-HZSPNIEDSA-N 3 0 239.407 1.354 20 0 BDADRP COc1cccc([C@@H](C)[NH2+]C[C@@H]2CC[NH2+]C2)c1 ZINC000423348456 387199239 /nfs/dbraw/zinc/19/92/39/387199239.db2.gz TVTWDFQATNVVMR-VXGBXAGGSA-N 2 0 234.343 1.955 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423348893 387200194 /nfs/dbraw/zinc/20/01/94/387200194.db2.gz UTLYSCZYOSXTEX-MGPQQGTHSA-N 3 0 239.407 1.354 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423462738 387311146 /nfs/dbraw/zinc/31/11/46/387311146.db2.gz DZRHFTORSDOHBL-RQJABVFESA-N 3 0 239.407 1.611 20 0 BDADRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)[C@H]1CCCC[NH2+]1 ZINC000423465974 387313374 /nfs/dbraw/zinc/31/33/74/387313374.db2.gz AGTITRPOTRULHB-HZSPNIEDSA-N 3 0 239.407 1.639 20 0 BDADRP C[C@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423467234 387314389 /nfs/dbraw/zinc/31/43/89/387314389.db2.gz YXZXUQVIUMOZTD-NJEAUENSSA-N 2 0 228.339 1.727 20 0 BDADRP C[C@H](O)CC[N@H+](C)CCC[NH+]1CCCC1 ZINC000120590155 387255774 /nfs/dbraw/zinc/25/57/74/387255774.db2.gz LUXXPNCMTHHOSC-LBPRGKRZSA-N 2 0 214.353 1.175 20 0 BDADRP C1CC([C@H]2CC[C@@H]2[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000423469134 387317075 /nfs/dbraw/zinc/31/70/75/387317075.db2.gz YNDCKTUWZDAIST-BNDIWNMDSA-N 2 0 206.333 1.373 20 0 BDADRP CCC(CC)(C[NH3+])C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000648119894 387259502 /nfs/dbraw/zinc/25/95/02/387259502.db2.gz CEBABXBKEYLIDD-LLVKDONJSA-N 2 0 241.379 1.010 20 0 BDADRP C[C@H](N[C@H]1CC[NH2+][C@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000423377867 387260142 /nfs/dbraw/zinc/26/01/42/387260142.db2.gz KOJWMUZEIGTNLP-VOAKCMCISA-N 2 0 225.380 1.247 20 0 BDADRP CO[C@H](C)[C@H](C)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000423381200 387263413 /nfs/dbraw/zinc/26/34/13/387263413.db2.gz HUWISPHXPYPVFV-TUAOUCFPSA-N 2 0 228.380 1.778 20 0 BDADRP CC[NH2+][C@H](C)CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423385879 387270996 /nfs/dbraw/zinc/27/09/96/387270996.db2.gz KYPSSECJLDGZCN-DDTOSNHZSA-N 2 0 233.359 1.719 20 0 BDADRP CC[NH2+][C@H](C)CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000423391033 387275983 /nfs/dbraw/zinc/27/59/83/387275983.db2.gz PAQPMOCZZHZPSW-RQJABVFESA-N 2 0 239.407 1.447 20 0 BDADRP C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)[C@@H]1CCCO1 ZINC000423391157 387277014 /nfs/dbraw/zinc/27/70/14/387277014.db2.gz PKSPOKCJBYXZNT-NHYWBVRUSA-N 2 0 246.354 1.947 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H]1[NH2+]CCCC1(C)C ZINC000423393863 387279640 /nfs/dbraw/zinc/27/96/40/387279640.db2.gz RLUGCGFDODRMEG-AGIUHOORSA-N 2 0 239.407 1.352 20 0 BDADRP COC[C@@]1(C[NH2+][C@@H](C)C(C)(C)C)CCC[NH2+]1 ZINC000423432281 387283973 /nfs/dbraw/zinc/28/39/73/387283973.db2.gz QWGNBCJDJNGELE-AAEUAGOBSA-N 2 0 228.380 1.779 20 0 BDADRP Cc1cc(N)cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c1 ZINC000423469322 387317995 /nfs/dbraw/zinc/31/79/95/387317995.db2.gz CAASAQXUGICNHD-GHMZBOCLSA-N 2 0 221.348 1.793 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000423431498 387284723 /nfs/dbraw/zinc/28/47/23/387284723.db2.gz LPSLLVQNPSAYGV-AAVRWANBSA-N 3 0 241.423 1.822 20 0 BDADRP FCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423434776 387285606 /nfs/dbraw/zinc/28/56/06/387285606.db2.gz QPFRBXQDQDUEEH-IEECTRCBSA-N 2 0 226.339 1.712 20 0 BDADRP Cc1cc([C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])nn1C ZINC000423437035 387286281 /nfs/dbraw/zinc/28/62/81/387286281.db2.gz QGQGDHAFSHCRDI-CMPLNLGQSA-N 2 0 238.379 1.897 20 0 BDADRP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@H]1CCCO1 ZINC000423438185 387288429 /nfs/dbraw/zinc/28/84/29/387288429.db2.gz MSFDPLSEZKFWND-YXCITZCRSA-N 2 0 238.375 1.532 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+][C@H](CCO)c2ccccc2)C1 ZINC000514799064 387293895 /nfs/dbraw/zinc/29/38/95/387293895.db2.gz SQWYXVUCEQXAFL-RRFJBIMHSA-N 2 0 248.370 1.970 20 0 BDADRP C[C@@H](C[C@@H]1CCOC1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000643462028 387295037 /nfs/dbraw/zinc/29/50/37/387295037.db2.gz YQKLKAQGCCFFSS-AHPWVWPOSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NC[C@H]1[NH2+]CCc2ccccc21 ZINC000423447546 387296416 /nfs/dbraw/zinc/29/64/16/387296416.db2.gz ZVCULGLTHOOHBB-YWPYICTPSA-N 2 0 247.386 1.589 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)[C@@H](C)O1 ZINC000459794382 387297070 /nfs/dbraw/zinc/29/70/70/387297070.db2.gz UOBFMHDCYBNBQL-SYQHCUMBSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000423448936 387297849 /nfs/dbraw/zinc/29/78/49/387297849.db2.gz QVXJDTOPYYFKRQ-NGDQXYMTSA-N 2 0 224.348 1.269 20 0 BDADRP CCC1(CC)[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@@H]1OC ZINC000423452310 387299450 /nfs/dbraw/zinc/29/94/50/387299450.db2.gz HWBMDKZBTAUWHT-FPYNETTCSA-N 2 0 238.375 1.388 20 0 BDADRP CCOC[C@H]1CCC[C@H]1[NH2+]C1CCN(C)CC1 ZINC000353924382 387300087 /nfs/dbraw/zinc/30/00/87/387300087.db2.gz BWUAVFRLTQPOED-TZMCWYRMSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423450056 387300216 /nfs/dbraw/zinc/30/02/16/387300216.db2.gz HCIYYMJDEQVWHE-WOPDTQHZSA-N 2 0 213.369 1.234 20 0 BDADRP CCN1C[C@H](C)[C@H]([NH2+][C@@H](C)CCC[NH3+])C1 ZINC000423455313 387305022 /nfs/dbraw/zinc/30/50/22/387305022.db2.gz MKBBUQPEKIEXMO-SDDRHHMPSA-N 2 0 213.369 1.044 20 0 BDADRP FCCC[C@H]1CCC[C@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423458958 387306041 /nfs/dbraw/zinc/30/60/41/387306041.db2.gz QPFRBXQDQDUEEH-LBELIVKGSA-N 2 0 226.339 1.712 20 0 BDADRP CC[C@H]([NH3+])CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000423458354 387306315 /nfs/dbraw/zinc/30/63/15/387306315.db2.gz GSNUNOHRVSAPDS-RVMXOQNASA-N 2 0 225.380 1.186 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1N[C@H]1C[NH2+]CCC1(F)F ZINC000514931721 387307373 /nfs/dbraw/zinc/30/73/73/387307373.db2.gz VXNUGPGBQLNVCL-MXWKQRLJSA-N 2 0 247.333 1.233 20 0 BDADRP C[C@H](CC[NH3+])NC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000423527240 387355822 /nfs/dbraw/zinc/35/58/22/387355822.db2.gz MCUNTUVGWFCISZ-ZYHUDNBSSA-N 2 0 241.379 1.138 20 0 BDADRP C[C@@H]1C[C@H](NCCC[NH2+]C2CC2)C[N@@H+]1C1CC1 ZINC000423530347 387358677 /nfs/dbraw/zinc/35/86/77/387358677.db2.gz RCRZALNDGWIEDD-YPMHNXCESA-N 2 0 237.391 1.343 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423532390 387358816 /nfs/dbraw/zinc/35/88/16/387358816.db2.gz RABBWWONNLPVNR-NZBPQXDJSA-N 2 0 247.386 1.457 20 0 BDADRP [NH3+]CC1CCC([NH2+]CCC2=CC[NH2+]CC2)CC1 ZINC000423537810 387363940 /nfs/dbraw/zinc/36/39/40/387363940.db2.gz LCVGVEMXFOUEOV-UHFFFAOYSA-N 3 0 237.391 1.403 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423539740 387365891 /nfs/dbraw/zinc/36/58/91/387365891.db2.gz PFGYDDUYAVCYFA-TZMCWYRMSA-N 3 0 237.391 1.274 20 0 BDADRP CCOC[C@H]1CCC[C@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000423554129 387373769 /nfs/dbraw/zinc/37/37/69/387373769.db2.gz LBCIRYMMECJNSO-TZMCWYRMSA-N 2 0 240.391 1.923 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC2=CC[NH2+]CC2)c2ccccc21 ZINC000572392504 387381329 /nfs/dbraw/zinc/38/13/29/387381329.db2.gz UNFYBORIWVNHJB-HUUCEWRRSA-N 2 0 243.354 1.641 20 0 BDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000423475530 387321538 /nfs/dbraw/zinc/32/15/38/387321538.db2.gz PVKZQZXLUABWRT-VOAKCMCISA-N 2 0 225.380 1.044 20 0 BDADRP CC[C@@H](N[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1CCC[NH2+]1 ZINC000423475394 387322432 /nfs/dbraw/zinc/32/24/32/387322432.db2.gz HWJPTOUECIOJGG-OUAUKWLOSA-N 2 0 247.333 1.104 20 0 BDADRP CCN1C[C@H](C)[C@H]([NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000423474442 387322890 /nfs/dbraw/zinc/32/28/90/387322890.db2.gz OVLVXCATIQOQAY-REWJHTLYSA-N 2 0 239.407 1.434 20 0 BDADRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccn(C)n1 ZINC000423477564 387324101 /nfs/dbraw/zinc/32/41/01/387324101.db2.gz KAZCUCGWWUVCHS-VXGBXAGGSA-N 2 0 236.363 1.603 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000423476605 387324315 /nfs/dbraw/zinc/32/43/15/387324315.db2.gz JBSGCONMFAHRQJ-RDBSUJKOSA-N 3 0 239.407 1.591 20 0 BDADRP CCN1C[C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000423476713 387325321 /nfs/dbraw/zinc/32/53/21/387325321.db2.gz JJCXWPLVMYVPHU-IHRRRGAJSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H]1CSCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000575498020 387328601 /nfs/dbraw/zinc/32/86/01/387328601.db2.gz QVIZDYWEJOLJDQ-LPEHRKFASA-N 2 0 200.351 1.161 20 0 BDADRP C[C@@H]1CCNC[C@@H]1[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423483714 387329808 /nfs/dbraw/zinc/32/98/08/387329808.db2.gz YXRWJZUIVUHWJQ-NDBYEHHHSA-N 2 0 225.380 1.092 20 0 BDADRP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])[C@H]1C ZINC000423485332 387331500 /nfs/dbraw/zinc/33/15/00/387331500.db2.gz ZCYJJDNYSWSFJP-KNZXXDILSA-N 2 0 242.363 1.290 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423484900 387332381 /nfs/dbraw/zinc/33/23/81/387332381.db2.gz RGQIDVOKKQEDET-MGPQQGTHSA-N 3 0 239.407 1.448 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC[C@@H]2C)C1 ZINC000354148595 387336652 /nfs/dbraw/zinc/33/66/52/387336652.db2.gz YBHYIDWGSXZZSM-BFHYXJOUSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H](CC[NH3+])NC(=O)c1ccccc1C[NH+](C)C ZINC000423496284 387337612 /nfs/dbraw/zinc/33/76/12/387337612.db2.gz GKOKHENYMOPWSX-LLVKDONJSA-N 2 0 249.358 1.215 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)C1(C)C ZINC000423496045 387338482 /nfs/dbraw/zinc/33/84/82/387338482.db2.gz VYARZSFBCBGZBI-FVCCEPFGSA-N 2 0 240.391 1.907 20 0 BDADRP CCc1ccccc1[C@@H]([NH3+])CN[C@@H](C)C1C[NH2+]C1 ZINC000423494995 387339118 /nfs/dbraw/zinc/33/91/18/387339118.db2.gz BFKSTDDLDMPEMD-NHYWBVRUSA-N 2 0 247.386 1.446 20 0 BDADRP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423493901 387339215 /nfs/dbraw/zinc/33/92/15/387339215.db2.gz RHGHQBRVWURMGL-MCIONIFRSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423497149 387340641 /nfs/dbraw/zinc/34/06/41/387340641.db2.gz YGTGGMNMMACENI-AGIUHOORSA-N 2 0 240.391 1.779 20 0 BDADRP COC[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)C1CCCC1 ZINC000423506922 387346053 /nfs/dbraw/zinc/34/60/53/387346053.db2.gz MRAVGSOZRDISIG-UBHSHLNASA-N 2 0 240.391 1.909 20 0 BDADRP CC[C@@H]([NH2+]CCCC[NH+](C)C)[C@@H]1CCOC1 ZINC000303393204 387348957 /nfs/dbraw/zinc/34/89/57/387348957.db2.gz KRVUMVPFMVBECG-CHWSQXEVSA-N 2 0 228.380 1.733 20 0 BDADRP CO[C@@H](C)[C@@H](C)[NH2+]CCC[NH2+]C1CC1 ZINC000423519238 387352448 /nfs/dbraw/zinc/35/24/48/387352448.db2.gz DBSPKLNHGHWUIS-ZJUUUORDSA-N 2 0 200.326 1.142 20 0 BDADRP C[C@@H](Cn1cccn1)[NH2+]CC(C)(C)C[NH+](C)C ZINC000121855109 387424438 /nfs/dbraw/zinc/42/44/38/387424438.db2.gz IQDHSPZBMUWXGU-LBPRGKRZSA-N 2 0 238.379 1.449 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CCO1 ZINC000515870080 387439663 /nfs/dbraw/zinc/43/96/63/387439663.db2.gz RBSNISWNQOXALV-UMSGYPCISA-N 2 0 226.364 1.804 20 0 BDADRP CCOC(=O)C[N@H+](CC)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000515516693 387385177 /nfs/dbraw/zinc/38/51/77/387385177.db2.gz GEWXBAUBVYNHDL-NEPJUHHUSA-N 2 0 242.363 1.260 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000515634615 387404919 /nfs/dbraw/zinc/40/49/19/387404919.db2.gz UNWDAGQBPRRPSD-XQQFMLRXSA-N 2 0 248.374 1.517 20 0 BDADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C[NH3+] ZINC000423741935 387407665 /nfs/dbraw/zinc/40/76/65/387407665.db2.gz KTYIBNLVIUTUPE-UHFFFAOYSA-N 2 0 249.358 1.055 20 0 BDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)C(C)(C)C[NH3+] ZINC000423773094 387421013 /nfs/dbraw/zinc/42/10/13/387421013.db2.gz MENMLIDISVVYHC-NSHDSACASA-N 2 0 243.395 1.208 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000643475345 387509329 /nfs/dbraw/zinc/50/93/29/387509329.db2.gz JDMUGOPPIQHIOC-XDQVBPFNSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCC[NH2+]C1 ZINC000516492317 387515906 /nfs/dbraw/zinc/51/59/06/387515906.db2.gz VXLPOGYIWURVII-UMSGYPCISA-N 2 0 225.380 1.234 20 0 BDADRP CCC[C@H](C)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000310090713 387534899 /nfs/dbraw/zinc/53/48/99/387534899.db2.gz DWXRQGADYNOEMS-KBPBESRZSA-N 2 0 239.407 1.402 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]CCN2CC[C@H](C)C2)CCO1 ZINC000648499107 387476101 /nfs/dbraw/zinc/47/61/01/387476101.db2.gz AJCOWHIKMSCKKJ-MELADBBJSA-N 2 0 240.391 1.875 20 0 BDADRP C[N@@H+]1CC[C@H](NCC[NH2+]C2CC2)[C@H]2CCC[C@@H]21 ZINC000643507932 387481595 /nfs/dbraw/zinc/48/15/95/387481595.db2.gz WMGWQIIVMFTSTH-RDBSUJKOSA-N 2 0 237.391 1.201 20 0 BDADRP [NH3+][C@H]1C[C@H](NCC[NH2+]C2CC2)c2ccccc21 ZINC000643508106 387483682 /nfs/dbraw/zinc/48/36/82/387483682.db2.gz KXVWIELMWBJBFD-KBPBESRZSA-N 2 0 231.343 1.473 20 0 BDADRP CCC1(O)CCC([NH2+][C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000643474268 387488706 /nfs/dbraw/zinc/48/87/06/387488706.db2.gz ZGWJMJVAGSEDDB-ZIHBUVQPSA-N 2 0 240.391 1.787 20 0 BDADRP CCC[C@H](C)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000336691987 387581099 /nfs/dbraw/zinc/58/10/99/387581099.db2.gz HJFZVSAQRLUAMC-UONOGXRCSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCC[C@@H]1F)[C@H]1CCC[NH2+]C1 ZINC000643491333 387584410 /nfs/dbraw/zinc/58/44/10/387584410.db2.gz PTBMRXCRDDZHCS-NOOOWODRSA-N 2 0 214.328 1.855 20 0 BDADRP CC[C@@H](C)[C@H](O)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422715981 387628414 /nfs/dbraw/zinc/62/84/14/387628414.db2.gz TYAYRZQVLYRDRS-IKWCTNDRSA-N 2 0 228.380 1.501 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)C1 ZINC000643511801 387594363 /nfs/dbraw/zinc/59/43/63/387594363.db2.gz PCGCAWMGWFRQBO-IJLUTSLNSA-N 2 0 214.353 1.517 20 0 BDADRP CC(C)(CC[NH3+])[NH2+]Cc1cncc(F)c1 ZINC000422558013 387600408 /nfs/dbraw/zinc/60/04/08/387600408.db2.gz XZWLCXCSGPJPCN-UHFFFAOYSA-N 2 0 211.284 1.438 20 0 BDADRP Cc1n[nH]cc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422558188 387600857 /nfs/dbraw/zinc/60/08/57/387600857.db2.gz AIDVJPLDYUIYDZ-SCVCMEIPSA-N 2 0 236.363 1.523 20 0 BDADRP C[C@@H]1C[C@@H](C)N(CC[NH2+]C(C)(C)C)C[C@H]1C[NH3+] ZINC000422563876 387602589 /nfs/dbraw/zinc/60/25/89/387602589.db2.gz URHQOKXFRSSOGI-JHJVBQTASA-N 2 0 241.423 1.680 20 0 BDADRP C[C@H](CN[C@H]1CCC[C@@H]1[NH3+])C[NH+]1CCCC1 ZINC000422716850 387629258 /nfs/dbraw/zinc/62/92/58/387629258.db2.gz KDCHDPBNYUJGOZ-AGIUHOORSA-N 2 0 225.380 1.188 20 0 BDADRP COC[C@H](C)C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422698705 387614768 /nfs/dbraw/zinc/61/47/68/387614768.db2.gz APEIROXVHHAFAO-UTUOFQBUSA-N 2 0 214.353 1.247 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422700555 387615868 /nfs/dbraw/zinc/61/58/68/387615868.db2.gz ACFSPLNNBJDNBS-CKYFFXLPSA-N 2 0 216.369 1.499 20 0 BDADRP CC[C@@H](Cc1cccs1)[NH2+]CC1C[NH2+]C1 ZINC000643516029 387620098 /nfs/dbraw/zinc/62/00/98/387620098.db2.gz OVPFPRXVMUTZSG-NSHDSACASA-N 2 0 224.373 1.878 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH+]1C)C[C@H]1CCC[C@H]1O ZINC000305636545 387620168 /nfs/dbraw/zinc/62/01/68/387620168.db2.gz ORZLZNOGZKVUTC-HZSPNIEDSA-N 2 0 240.391 1.564 20 0 BDADRP CCCC[N@H+](C)CCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422707205 387620770 /nfs/dbraw/zinc/62/07/70/387620770.db2.gz GSTHYIVRRXRSJG-ZIAGYGMSSA-N 2 0 241.423 1.696 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422705179 387621390 /nfs/dbraw/zinc/62/13/90/387621390.db2.gz BIIGEBPYAYSDGL-GVWAJWJKSA-N 2 0 226.364 1.266 20 0 BDADRP CCCCN(C)CC[NH2+][C@@H](C)CCC[NH3+] ZINC000422709990 387622579 /nfs/dbraw/zinc/62/25/79/387622579.db2.gz LJMNMLTYWASOGK-LBPRGKRZSA-N 2 0 215.385 1.435 20 0 BDADRP CCCC[N@H+](C)CCN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422711398 387626494 /nfs/dbraw/zinc/62/64/94/387626494.db2.gz NBAPKSXJPDGYKY-STQMWFEESA-N 2 0 227.396 1.448 20 0 BDADRP CC(C)[C@H](O)CC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422791557 387694403 /nfs/dbraw/zinc/69/44/03/387694403.db2.gz YQLUZCCCNJWEJZ-YNEHKIRRSA-N 2 0 228.380 1.643 20 0 BDADRP CC(C)C[C@@H](C[NH+](C)C)N[C@@H](C)C1C[NH2+]C1 ZINC000422717106 387630217 /nfs/dbraw/zinc/63/02/17/387630217.db2.gz OGIVESAQWRURFA-AAEUAGOBSA-N 2 0 227.396 1.160 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCCOC1)[C@@H]1CCCC[NH2+]1 ZINC000422721843 387632440 /nfs/dbraw/zinc/63/24/40/387632440.db2.gz WDKOPOCBQHBDJH-UPJWGTAASA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H](CN[C@@H]1C[NH2+]CC[C@H]1C)C[NH+]1CCCC1 ZINC000422723889 387632482 /nfs/dbraw/zinc/63/24/82/387632482.db2.gz STXLVFSJGQZSTD-MGPQQGTHSA-N 2 0 239.407 1.306 20 0 BDADRP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000422721069 387633007 /nfs/dbraw/zinc/63/30/07/387633007.db2.gz UJIJQLXQNNVIIB-QWRGUYRKSA-N 2 0 238.379 1.897 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCCOC1)[C@H]1CCCC[NH2+]1 ZINC000422721842 387633287 /nfs/dbraw/zinc/63/32/87/387633287.db2.gz WDKOPOCBQHBDJH-JHJVBQTASA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NC[C@H](C)C[NH+]1CCCCC1 ZINC000422719503 387633877 /nfs/dbraw/zinc/63/38/77/387633877.db2.gz YHEVJRFIKYWPMB-MELADBBJSA-N 2 0 241.423 1.824 20 0 BDADRP CCCC[N@H+](C)CCN[C@H]1C[NH2+]CC[C@H]1C ZINC000422719457 387633972 /nfs/dbraw/zinc/63/39/72/387633972.db2.gz YEIBNUNKEXZUFT-OLZOCXBDSA-N 2 0 227.396 1.306 20 0 BDADRP CC[C@@H]([NH2+]C[C@]1(C)CCOC1)[C@@H]1CCC[NH2+]1 ZINC000422727813 387635205 /nfs/dbraw/zinc/63/52/05/387635205.db2.gz HZABLYZFJSYXLD-AGIUHOORSA-N 2 0 226.364 1.533 20 0 BDADRP CCC[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422733328 387640186 /nfs/dbraw/zinc/64/01/86/387640186.db2.gz QTNFXOUZOAEKOK-VIFPVBQESA-N 2 0 207.321 1.909 20 0 BDADRP CCCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000422732036 387640971 /nfs/dbraw/zinc/64/09/71/387640971.db2.gz NDEIVSQBIITESC-GMTAPVOTSA-N 2 0 200.326 1.128 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)Cc1ccccc1 ZINC000422736238 387643530 /nfs/dbraw/zinc/64/35/30/387643530.db2.gz FZZJUDFXOWLTGS-RRFJBIMHSA-N 2 0 248.370 1.307 20 0 BDADRP C[C@H]1CCNC[C@@H]1[NH2+]CCC1CC[NH+](C)CC1 ZINC000422738946 387646318 /nfs/dbraw/zinc/64/63/18/387646318.db2.gz KNGAQGYZGMZZHQ-JSGCOSHPSA-N 2 0 239.407 1.306 20 0 BDADRP C[C@@H](NCCC[NH+](C)C)c1c[nH+]ccc1N ZINC000422740945 387648264 /nfs/dbraw/zinc/64/82/64/387648264.db2.gz CQTNMXSYRFTMOW-SNVBAGLBSA-N 2 0 222.336 1.096 20 0 BDADRP CO[C@H]1CCC[C@H]([NH2+]CC2(C)CC[NH2+]CC2)C1 ZINC000643518214 387648958 /nfs/dbraw/zinc/64/89/58/387648958.db2.gz DCLYHIUPUGWBGC-STQMWFEESA-N 2 0 240.391 1.923 20 0 BDADRP Cc1n[nH]cc1[C@H](C)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000643518105 387649287 /nfs/dbraw/zinc/64/92/87/387649287.db2.gz FXWRUZRGDMGQTE-JTQLQIEISA-N 2 0 236.363 1.758 20 0 BDADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCC[C@H]2[NH3+])CC1 ZINC000422747407 387651271 /nfs/dbraw/zinc/65/12/71/387651271.db2.gz YMOKRHUWDOQSSO-KGLIPLIRSA-N 3 0 239.407 1.578 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cccc2c1OCO2 ZINC000422746363 387651494 /nfs/dbraw/zinc/65/14/94/387651494.db2.gz ZKECSZQSGDRGCC-NXEZZACHSA-N 2 0 236.315 1.631 20 0 BDADRP CC[C@@H](NCC[NH+](CC)CC)[C@@H]1CCC[NH2+]1 ZINC000422748700 387652629 /nfs/dbraw/zinc/65/26/29/387652629.db2.gz VRFPWYQMNRGFHO-OLZOCXBDSA-N 2 0 227.396 1.448 20 0 BDADRP Cc1cc(CC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])on1 ZINC000643489122 387653360 /nfs/dbraw/zinc/65/33/60/387653360.db2.gz XPUXEWCWOMMNHQ-QWHCGFSZSA-N 2 0 237.347 1.775 20 0 BDADRP C[C@H]([NH2+]C1CC(C)(F)C1)[C@H]1CCC[NH2+]C1 ZINC000643491409 387654745 /nfs/dbraw/zinc/65/47/45/387654745.db2.gz OMNDIYGENUCCCR-JYBOHDQNSA-N 2 0 214.328 1.855 20 0 BDADRP C[C@@H](NCC1([NH+](C)C)CCCCC1)C1C[NH2+]C1 ZINC000422753620 387657836 /nfs/dbraw/zinc/65/78/36/387657836.db2.gz ITIGZXXFYLISJZ-GFCCVEGCSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]([NH2+]CCOc1ccccc1F)C1C[NH2+]C1 ZINC000422758937 387660980 /nfs/dbraw/zinc/66/09/80/387660980.db2.gz OKGJWORTKMLLEW-SNVBAGLBSA-N 2 0 238.306 1.402 20 0 BDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCCNc1ccccc1 ZINC000422756474 387661151 /nfs/dbraw/zinc/66/11/51/387661151.db2.gz LNWPQPFTCUAZHM-UONOGXRCSA-N 2 0 233.359 1.958 20 0 BDADRP C[C@H]([NH2+]CCOc1ccccc1F)C1C[NH2+]C1 ZINC000422758936 387661320 /nfs/dbraw/zinc/66/13/20/387661320.db2.gz OKGJWORTKMLLEW-JTQLQIEISA-N 2 0 238.306 1.402 20 0 BDADRP Cc1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000422759066 387661587 /nfs/dbraw/zinc/66/15/87/387661587.db2.gz OUOZLLBIUWAUFE-ZIAGYGMSSA-N 2 0 234.343 1.843 20 0 BDADRP CN(CCC[NH2+][C@@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000422763481 387664690 /nfs/dbraw/zinc/66/46/90/387664690.db2.gz OSLAWVLVMDYTTL-HUUCEWRRSA-N 2 0 247.386 1.982 20 0 BDADRP COC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000305947039 387668564 /nfs/dbraw/zinc/66/85/64/387668564.db2.gz GVJZDFHBGNTDQC-NEPJUHHUSA-N 2 0 240.391 1.874 20 0 BDADRP CC[NH+]1CCC(N[C@@H](C)c2c[nH+]ccc2N)CC1 ZINC000422768843 387668560 /nfs/dbraw/zinc/66/85/60/387668560.db2.gz OEOUDMNXFRMQJG-NSHDSACASA-N 2 0 248.374 1.629 20 0 BDADRP C[NH+](C)C[C@@](C)(O)C[NH2+]C[C@@H]1CC=CCC1 ZINC000125910625 387669080 /nfs/dbraw/zinc/66/90/80/387669080.db2.gz RVPAHAIPHSBGKT-OLZOCXBDSA-N 2 0 226.364 1.245 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCn1cnc2ccccc21 ZINC000422772154 387671323 /nfs/dbraw/zinc/67/13/23/387671323.db2.gz YXGCTWPWRGRIDU-NWDGAFQWSA-N 2 0 246.358 1.752 20 0 BDADRP CCCCOCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000422776538 387673333 /nfs/dbraw/zinc/67/33/33/387673333.db2.gz CVTHXIIOKTYXJF-JHJVBQTASA-N 2 0 244.379 1.145 20 0 BDADRP C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[C@@H]1CCC[NH2+]1 ZINC000422779648 387677503 /nfs/dbraw/zinc/67/75/03/387677503.db2.gz IOQCBBJTFLFKOX-NWBUJAPZSA-N 2 0 238.375 1.530 20 0 BDADRP CCCCOCC[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422779801 387678356 /nfs/dbraw/zinc/67/83/56/387678356.db2.gz JEHUULBTBOICLB-QWRGUYRKSA-N 2 0 200.326 1.273 20 0 BDADRP COC[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000126363266 387680648 /nfs/dbraw/zinc/68/06/48/387680648.db2.gz CZBKVARVXZXKDF-FZMZJTMJSA-N 2 0 238.375 1.485 20 0 BDADRP C[C@H]([NH2+]CCc1cccc(F)c1)C1C[NH2+]C1 ZINC000422782306 387681819 /nfs/dbraw/zinc/68/18/19/387681819.db2.gz JTELBRZJIKBVIZ-JTQLQIEISA-N 2 0 222.307 1.566 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000422783699 387682889 /nfs/dbraw/zinc/68/28/89/387682889.db2.gz OTHJOFYAVVKOJX-FDYHWXHSSA-N 2 0 240.391 1.907 20 0 BDADRP CC(C)[C@H](O)CC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000422785005 387683835 /nfs/dbraw/zinc/68/38/35/387683835.db2.gz QLOWDFNWVOZHLU-QJPTWQEYSA-N 2 0 214.353 1.110 20 0 BDADRP Cc1cccc(OC[C@@H](C)[NH2+][C@H](C)C2C[NH2+]C2)c1 ZINC000422743557 387690799 /nfs/dbraw/zinc/69/07/99/387690799.db2.gz UGLVWQUZFGMPQH-CHWSQXEVSA-N 2 0 248.370 1.960 20 0 BDADRP CC(C)[C@H](O)CC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422791554 387693080 /nfs/dbraw/zinc/69/30/80/387693080.db2.gz YQLUZCCCNJWEJZ-RWMBFGLXSA-N 2 0 228.380 1.643 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000422865696 387747227 /nfs/dbraw/zinc/74/72/27/387747227.db2.gz PIMPWJOENGWABA-FIQHERPVSA-N 2 0 225.380 1.327 20 0 BDADRP CC[N@H+](CCN[C@H]1CCCC[C@H]1C[NH3+])C(C)C ZINC000422878975 387754119 /nfs/dbraw/zinc/75/41/19/387754119.db2.gz LPEDEWGNDTXWPK-KBPBESRZSA-N 2 0 241.423 1.824 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000643526027 387754633 /nfs/dbraw/zinc/75/46/33/387754633.db2.gz NYDDPDBFCYJZRD-WUHRBBMRSA-N 2 0 226.364 1.674 20 0 BDADRP CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422794275 387696971 /nfs/dbraw/zinc/69/69/71/387696971.db2.gz UARBJPZRCIHBDT-NOOOWODRSA-N 2 0 214.353 1.659 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+]CC2=CC[NH2+]CC2)C1 ZINC000643520453 387700066 /nfs/dbraw/zinc/70/00/66/387700066.db2.gz KMDDXDACBLNCIJ-CHWSQXEVSA-N 2 0 224.348 1.453 20 0 BDADRP CC(=O)Nc1ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cc1 ZINC000422802601 387701108 /nfs/dbraw/zinc/70/11/08/387701108.db2.gz HOWPJGSCFUAYEA-WDEREUQCSA-N 2 0 249.358 1.860 20 0 BDADRP CC[C@H]([NH2+]CCCn1cccn1)[C@@H]1CCC[NH2+]1 ZINC000422805413 387705769 /nfs/dbraw/zinc/70/57/69/387705769.db2.gz GRSDYXNBDWWMHW-STQMWFEESA-N 2 0 236.363 1.393 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CCC[C@H]1[NH3+])C(C)C ZINC000422807537 387706109 /nfs/dbraw/zinc/70/61/09/387706109.db2.gz MOQXIGAUPATXOO-GMTAPVOTSA-N 2 0 200.326 1.127 20 0 BDADRP C[NH+](C)Cc1cccc(CN[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000422805833 387706194 /nfs/dbraw/zinc/70/61/94/387706194.db2.gz JSAXSVAEGGCZSQ-GJZGRUSLSA-N 2 0 247.386 1.718 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)C(C)C ZINC000422806366 387706250 /nfs/dbraw/zinc/70/62/50/387706250.db2.gz KMRXSBOXCGKSBI-YNEHKIRRSA-N 2 0 228.380 1.635 20 0 BDADRP CO[C@H](C[NH2+][C@H](C)C[C@@H](C)[NH3+])C(C)(C)C ZINC000422806898 387706534 /nfs/dbraw/zinc/70/65/34/387706534.db2.gz IWWDIMFAIYLITC-GMTAPVOTSA-N 2 0 216.369 1.763 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCCn1cccn1 ZINC000422811568 387710897 /nfs/dbraw/zinc/71/08/97/387710897.db2.gz PEUKPKYPUDRXNQ-QWHCGFSZSA-N 2 0 236.363 1.251 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)NCC[NH+]1CCCCCC1 ZINC000422812301 387711214 /nfs/dbraw/zinc/71/12/14/387711214.db2.gz WFLDMTJGCBCUQA-CHWSQXEVSA-N 2 0 227.396 1.578 20 0 BDADRP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc2c(c1)OCO2 ZINC000422814670 387713942 /nfs/dbraw/zinc/71/39/42/387713942.db2.gz VWIBEZVZNSAMIS-UWVGGRQHSA-N 2 0 248.326 1.674 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000127490753 387714374 /nfs/dbraw/zinc/71/43/74/387714374.db2.gz HQXKSUSEKWSSAB-MGPQQGTHSA-N 2 0 241.423 1.789 20 0 BDADRP CCO[C@H](CC[NH2+][C@H](C)C1C[NH2+]C1)C(C)C ZINC000422815560 387714992 /nfs/dbraw/zinc/71/49/92/387714992.db2.gz XXCOMHHLWVHWNK-DGCLKSJQSA-N 2 0 228.380 1.635 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CCN(C)c1ccccc1 ZINC000422814476 387715355 /nfs/dbraw/zinc/71/53/55/387715355.db2.gz VARMEYQNVZBYLC-CYBMUJFWSA-N 2 0 235.375 1.840 20 0 BDADRP CC(C)C[C@H](CN[C@H]1CCC[C@@H]1[NH3+])[NH+](C)C ZINC000422820709 387717926 /nfs/dbraw/zinc/71/79/26/387717926.db2.gz RYVQEAZLXUHSHX-AGIUHOORSA-N 2 0 227.396 1.432 20 0 BDADRP CC(C)C[C@H](CN[C@@H]1CCC[C@H]1[NH3+])[NH+](C)C ZINC000422820711 387718418 /nfs/dbraw/zinc/71/84/18/387718418.db2.gz RYVQEAZLXUHSHX-JHJVBQTASA-N 2 0 227.396 1.432 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCc1cccnc1 ZINC000422824014 387720725 /nfs/dbraw/zinc/72/07/25/387720725.db2.gz FXTSLLYVHCYBKK-KGLIPLIRSA-N 2 0 233.359 1.874 20 0 BDADRP CC(C)O[C@@]1(C)C[C@H]1[NH2+]C1CCN(C)CC1 ZINC000527799835 387722227 /nfs/dbraw/zinc/72/22/27/387722227.db2.gz NMFJIAFPGQRDPN-OLZOCXBDSA-N 2 0 226.364 1.626 20 0 BDADRP Cc1nccn1CC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422830293 387723009 /nfs/dbraw/zinc/72/30/09/387723009.db2.gz CKFKHSUWXSZXDK-QWHCGFSZSA-N 2 0 236.363 1.441 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCCNc1ccccn1 ZINC000422831122 387723194 /nfs/dbraw/zinc/72/31/94/387723194.db2.gz JETWGUIKDSVOFS-NWDGAFQWSA-N 2 0 236.363 1.599 20 0 BDADRP C[C@@H](N[C@@H]1CCC[NH2+]CC1)[C@H]1CCCC[NH2+]1 ZINC000643523066 387723833 /nfs/dbraw/zinc/72/38/33/387723833.db2.gz UXUCXIAEXMBRQL-JHJVBQTASA-N 2 0 225.380 1.249 20 0 BDADRP COC[C@H]([NH2+][C@H]1CCC[NH2+]CC1)C1CCCC1 ZINC000643523199 387723881 /nfs/dbraw/zinc/72/38/81/387723881.db2.gz XLTYNTNXPSOLHH-KBPBESRZSA-N 2 0 240.391 1.923 20 0 BDADRP CC[N@H+](C)CCN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21 ZINC000367549892 387724077 /nfs/dbraw/zinc/72/40/77/387724077.db2.gz HPITZKCKVRGVRT-MGPQQGTHSA-N 2 0 239.407 1.401 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@H](N[C@H]2CCC[C@H]2[NH3+])C1 ZINC000422837090 387727686 /nfs/dbraw/zinc/72/76/86/387727686.db2.gz LIAHGVHLSAVHFW-LOWDOPEQSA-N 2 0 225.380 1.329 20 0 BDADRP COC1CCC(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000422836941 387729255 /nfs/dbraw/zinc/72/92/55/387729255.db2.gz LAPIXOROGSYFQF-GNRIBBGQSA-N 2 0 240.391 1.909 20 0 BDADRP CC(C)[N@H+](C)CCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000422876213 387755730 /nfs/dbraw/zinc/75/57/30/387755730.db2.gz FHHXSCIQAKZTKP-CHWSQXEVSA-N 2 0 227.396 1.576 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCc1nccs1 ZINC000422841751 387731715 /nfs/dbraw/zinc/73/17/15/387731715.db2.gz WWFQJWWPTBOWQY-QWRGUYRKSA-N 2 0 239.388 1.935 20 0 BDADRP Cc1cccc(O[C@@H](C)C[NH2+][C@@H](C)C2C[NH2+]C2)c1 ZINC000422789345 387732129 /nfs/dbraw/zinc/73/21/29/387732129.db2.gz OEDAQOHNDVQIFW-STQMWFEESA-N 2 0 248.370 1.960 20 0 BDADRP CC[C@@H](CCO)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422849736 387735470 /nfs/dbraw/zinc/73/54/70/387735470.db2.gz CLICCKGNOVGJJG-SRVKXCTJSA-N 2 0 214.353 1.125 20 0 BDADRP C[C@H](CN[C@@H](C)C[C@H](C)[NH3+])[N@@H+]1CCC[C@H](C)C1 ZINC000422852748 387736938 /nfs/dbraw/zinc/73/69/38/387736938.db2.gz BFANLPIPXZVKEX-XDQVBPFNSA-N 3 0 241.423 1.822 20 0 BDADRP CC[C@H]([NH2+][C@@H]1C[C@@H](OC)C1(C)C)[C@@H]1CCC[NH2+]1 ZINC000422852325 387737649 /nfs/dbraw/zinc/73/76/49/387737649.db2.gz QIUKZNMYXZHAGI-WUHRBBMRSA-N 2 0 240.391 1.920 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C)C1 ZINC000643524447 387738655 /nfs/dbraw/zinc/73/86/55/387738655.db2.gz FSQJFAUZUMRQPA-YVECIDJPSA-N 2 0 226.364 1.532 20 0 BDADRP CC(=O)Nc1cccc(C[NH2+][C@H](C)CCC[NH3+])c1 ZINC000422856389 387742023 /nfs/dbraw/zinc/74/20/23/387742023.db2.gz FVKAVUXNFLGMTL-LLVKDONJSA-N 2 0 249.358 1.862 20 0 BDADRP COCCC1(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])CCC1 ZINC000422890630 387764356 /nfs/dbraw/zinc/76/43/56/387764356.db2.gz SRPQNPRORKUEMP-OLZOCXBDSA-N 2 0 240.391 1.910 20 0 BDADRP COC(C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)OC ZINC000129152326 387764622 /nfs/dbraw/zinc/76/46/22/387764622.db2.gz XYZZUAAJQZOZGK-RYUDHWBXSA-N 2 0 242.363 1.021 20 0 BDADRP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@H](C)[NH3+])C1(C)C ZINC000643527517 387764776 /nfs/dbraw/zinc/76/47/76/387764776.db2.gz NWAGCCZMUOYEQZ-GARJFASQSA-N 2 0 214.353 1.515 20 0 BDADRP C[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000422894484 387765040 /nfs/dbraw/zinc/76/50/40/387765040.db2.gz CKWBIUWQIOMPDW-FQUUOJAGSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422898008 387765276 /nfs/dbraw/zinc/76/52/76/387765276.db2.gz DGWCMBYSWKVCGX-CRWXNKLISA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCCN1C)c1cnccc1N ZINC000422898007 387765640 /nfs/dbraw/zinc/76/56/40/387765640.db2.gz DGVXZGUHNBMAOG-WDEREUQCSA-N 2 0 234.347 1.239 20 0 BDADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1CCCC1 ZINC000422904375 387767528 /nfs/dbraw/zinc/76/75/28/387767528.db2.gz XGHQNYVDGHVBEX-UHTWSYAYSA-N 2 0 226.364 1.519 20 0 BDADRP CC[C@@H]([NH2+]C[C@@H]1CCOC1)[C@@H]1CCC[NH2+]1 ZINC000422904104 387767570 /nfs/dbraw/zinc/76/75/70/387767570.db2.gz WZRDWYUNYZHBDX-TUAOUCFPSA-N 2 0 212.337 1.143 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@@H](C)C[C@H](C)[NH3+] ZINC000422910128 387770107 /nfs/dbraw/zinc/77/01/07/387770107.db2.gz PVWLZNAGFHXQQP-SRVKXCTJSA-N 2 0 215.385 1.432 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCNC(=O)c1ccccc1 ZINC000422914073 387771200 /nfs/dbraw/zinc/77/12/00/387771200.db2.gz RKSZWYYXYQJKBD-NWDGAFQWSA-N 2 0 249.358 1.132 20 0 BDADRP CC[C@H]([NH2+]CC(C)(C)C[C@@H](C)O)[C@@H]1CCC[NH2+]1 ZINC000422915274 387773497 /nfs/dbraw/zinc/77/34/97/387773497.db2.gz APIAWYSWGWLZIN-AGIUHOORSA-N 2 0 242.407 1.904 20 0 BDADRP CC[C@H]([NH2+]CC(C)(C)C[C@H](C)O)[C@@H]1CCC[NH2+]1 ZINC000422915275 387773733 /nfs/dbraw/zinc/77/37/33/387773733.db2.gz APIAWYSWGWLZIN-AVGNSLFASA-N 2 0 242.407 1.904 20 0 BDADRP C[C@H]([NH3+])CN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000643529726 387776946 /nfs/dbraw/zinc/77/69/46/387776946.db2.gz QMTLIBOYMRUMMH-SRVKXCTJSA-N 2 0 213.369 1.234 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1CC=CC1 ZINC000527945422 387780766 /nfs/dbraw/zinc/78/07/66/387780766.db2.gz RCMJDFMVJFTTNM-AAEUAGOBSA-N 2 0 208.349 1.882 20 0 BDADRP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422900942 387784480 /nfs/dbraw/zinc/78/44/80/387784480.db2.gz KJUYHTWXNQQSSY-YFKTTZPYSA-N 2 0 214.353 1.659 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H](CCC)[NH+](C)C ZINC000422900910 387784498 /nfs/dbraw/zinc/78/44/98/387784498.db2.gz KHZJJHONDZPAHT-NWDGAFQWSA-N 2 0 243.395 1.350 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCC1CC(O)C1 ZINC000432419012 387788963 /nfs/dbraw/zinc/78/89/63/387788963.db2.gz YGTPFZMCWGALMH-XPXVYLNCSA-N 2 0 240.391 1.466 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)CCCC[NH3+])C1 ZINC000422977710 387790234 /nfs/dbraw/zinc/79/02/34/387790234.db2.gz XJIWVLMPDUTPRE-ZIAGYGMSSA-N 3 0 241.423 1.825 20 0 BDADRP CC[C@H](CCO)[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422981443 387791509 /nfs/dbraw/zinc/79/15/09/387791509.db2.gz SVCUTSXMPUNFJN-QJPTWQEYSA-N 2 0 214.353 1.125 20 0 BDADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422980546 387791818 /nfs/dbraw/zinc/79/18/18/387791818.db2.gz QINNTZBMFTUPEA-GHMZBOCLSA-N 2 0 234.343 1.521 20 0 BDADRP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422980548 387791889 /nfs/dbraw/zinc/79/18/89/387791889.db2.gz QINNTZBMFTUPEA-QWRGUYRKSA-N 2 0 234.343 1.521 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422981815 387793036 /nfs/dbraw/zinc/79/30/36/387793036.db2.gz UMVFBJJDEWZMHG-UPJWGTAASA-N 2 0 228.380 1.515 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](CO)c1cccc(F)c1 ZINC000422985618 387795596 /nfs/dbraw/zinc/79/55/96/387795596.db2.gz FMFQKNWAACZWSF-GWCFXTLKSA-N 2 0 240.322 1.576 20 0 BDADRP CCc1nn(C)cc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422986438 387795724 /nfs/dbraw/zinc/79/57/24/387795724.db2.gz GUMVKSOTWCBCKS-UWVGGRQHSA-N 2 0 224.352 1.198 20 0 BDADRP CC[NH+]1CCC([NH2+]CC[C@H]2CCCOC2)CC1 ZINC000527932744 387796213 /nfs/dbraw/zinc/79/62/13/387796213.db2.gz WFERASPNJLLAPZ-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1ccc(O)cc1 ZINC000422985312 387796525 /nfs/dbraw/zinc/79/65/25/387796525.db2.gz DBTFGLGSXWIEMK-DOMZBBRYSA-N 2 0 248.370 1.912 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC23CC(C2)CO3)[C@@H](C)C1 ZINC000527978965 387796610 /nfs/dbraw/zinc/79/66/10/387796610.db2.gz LZQYCCIRVAFWSA-AHPWVWPOSA-N 2 0 238.375 1.485 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000422988323 387798475 /nfs/dbraw/zinc/79/84/75/387798475.db2.gz KKMPJCORBJOCJG-CWSCBRNRSA-N 2 0 240.322 1.575 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC1(CCO)CCC1 ZINC000422992612 387800173 /nfs/dbraw/zinc/80/01/73/387800173.db2.gz RPDXAAFVFHUOHY-RYUDHWBXSA-N 2 0 226.364 1.256 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](CO)c1cccc(F)c1 ZINC000422995973 387803157 /nfs/dbraw/zinc/80/31/57/387803157.db2.gz RYAFQTQTWLPANZ-OUJBWJOFSA-N 2 0 240.322 1.575 20 0 BDADRP COc1cccnc1N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000527989486 387803883 /nfs/dbraw/zinc/80/38/83/387803883.db2.gz YKIKGUQHKWGDJS-PHIMTYICSA-N 2 0 233.315 1.088 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C)COCC(F)(F)F ZINC000422949174 387807692 /nfs/dbraw/zinc/80/76/92/387807692.db2.gz UHDZPAXZOYOTBY-YIZRAAEISA-N 2 0 242.285 1.669 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@@H](C)CC1 ZINC000422955123 387808787 /nfs/dbraw/zinc/80/87/87/387808787.db2.gz IRIVEFQYRXZPOH-PEDHHIEDSA-N 2 0 240.391 1.907 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCOc2ccccc21)C1C[NH2+]C1 ZINC000422885825 387759452 /nfs/dbraw/zinc/75/94/52/387759452.db2.gz HGVHOOJLPGINFJ-NEPJUHHUSA-N 2 0 246.354 1.750 20 0 BDADRP CCN(CC[NH2+][C@H](C)CCC[NH3+])C(C)C ZINC000422885910 387759896 /nfs/dbraw/zinc/75/98/96/387759896.db2.gz ZLBPVJFTLLJMNT-GFCCVEGCSA-N 2 0 215.385 1.434 20 0 BDADRP C[C@@H]([NH3+])CN(CCCO)[C@H]1CCc2ccccc21 ZINC000442665919 387819905 /nfs/dbraw/zinc/81/99/05/387819905.db2.gz RKIYHBPHUINVLB-DOMZBBRYSA-N 2 0 248.370 1.706 20 0 BDADRP Cc1cnc(CC[NH2+][C@H]2CCCCC[C@H]2[NH3+])cn1 ZINC000564074247 387820025 /nfs/dbraw/zinc/82/00/25/387820025.db2.gz JNLSRLDQHHRVEM-KGLIPLIRSA-N 2 0 248.374 1.577 20 0 BDADRP CC(C)CC[C@@](C)(O)C[NH2+][C@@H](C)CCC[NH3+] ZINC000422975285 387823778 /nfs/dbraw/zinc/82/37/78/387823778.db2.gz GLINKGWPFHEDFJ-QWHCGFSZSA-N 2 0 230.396 1.891 20 0 BDADRP CCC[N@@H+]1CC[C@H](CN[C@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000422975082 387823973 /nfs/dbraw/zinc/82/39/73/387823973.db2.gz SHROYWZXLZCQRG-MCIONIFRSA-N 2 0 239.407 1.448 20 0 BDADRP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422975465 387824738 /nfs/dbraw/zinc/82/47/38/387824738.db2.gz GUPLPVVXPSDNHT-WRWGMCAJSA-N 2 0 246.420 1.077 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)[C@H]1CCC[NH2+]1 ZINC000423004078 387825713 /nfs/dbraw/zinc/82/57/13/387825713.db2.gz JCMPIHOPPVFZLQ-ZDEQEGDKSA-N 2 0 226.364 1.268 20 0 BDADRP COc1cccc(CC[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)n1 ZINC000423003619 387825835 /nfs/dbraw/zinc/82/58/35/387825835.db2.gz IGZUEUWJEUJNLM-NWDGAFQWSA-N 2 0 249.358 1.220 20 0 BDADRP CCCC[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])CCCC ZINC000442711676 387825965 /nfs/dbraw/zinc/82/59/65/387825965.db2.gz FBYZIYDMBMHVRG-GHMZBOCLSA-N 2 0 229.368 1.138 20 0 BDADRP COc1cccc(CC[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)n1 ZINC000423003621 387826246 /nfs/dbraw/zinc/82/62/46/387826246.db2.gz IGZUEUWJEUJNLM-VXGBXAGGSA-N 2 0 249.358 1.220 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])CCCC ZINC000442711677 387826326 /nfs/dbraw/zinc/82/63/26/387826326.db2.gz FBYZIYDMBMHVRG-MNOVXSKESA-N 2 0 229.368 1.138 20 0 BDADRP CCOCCC1(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000423004021 387826455 /nfs/dbraw/zinc/82/64/55/387826455.db2.gz OCCVVRQQHRAEDR-CHWSQXEVSA-N 2 0 240.391 1.910 20 0 BDADRP C[NH2+]C[C@@](C)(O)C[N@H+](C)CCC1CCCCC1 ZINC000564095307 387826638 /nfs/dbraw/zinc/82/66/38/387826638.db2.gz ZSIXVOSOBONAEY-CQSZACIVSA-N 2 0 242.407 1.859 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)[C@@H]1CCCC[NH2+]1 ZINC000423005225 387828374 /nfs/dbraw/zinc/82/83/74/387828374.db2.gz LXYUMJQNINQUKO-XUXIUFHCSA-N 2 0 240.391 1.658 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCc1ccncc1 ZINC000423007156 387829023 /nfs/dbraw/zinc/82/90/23/387829023.db2.gz QAENYUXSQPBXEA-ZIAGYGMSSA-N 2 0 233.359 1.874 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCc1c[nH]c2ncccc12 ZINC000423005607 387829441 /nfs/dbraw/zinc/82/94/41/387829441.db2.gz SKYLTZIALDKPDY-STQMWFEESA-N 2 0 244.342 1.575 20 0 BDADRP COc1cccc(CC[NH2+][C@H]2CCC[C@H]2[NH3+])n1 ZINC000423005924 387829542 /nfs/dbraw/zinc/82/95/42/387829542.db2.gz NPNUPEGYVYVLQJ-NEPJUHHUSA-N 2 0 235.331 1.102 20 0 BDADRP CC(C)CSCC[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000423009104 387831138 /nfs/dbraw/zinc/83/11/38/387831138.db2.gz CEUZBCLYSTXSCN-GHMZBOCLSA-N 2 0 216.394 1.845 20 0 BDADRP CC(C)[C@H](O)C1(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000423011197 387833753 /nfs/dbraw/zinc/83/37/53/387833753.db2.gz APROJLBOGHVRNY-UPJWGTAASA-N 2 0 240.391 1.501 20 0 BDADRP COC[C@@H](C)[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423014010 387836528 /nfs/dbraw/zinc/83/65/28/387836528.db2.gz HHTNNGLKCPWQDP-JHJVBQTASA-N 2 0 228.380 1.922 20 0 BDADRP Cc1cnccc1CC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000423014290 387836642 /nfs/dbraw/zinc/83/66/42/387836642.db2.gz OSZAQIPXGLEPNZ-ZIAGYGMSSA-N 2 0 233.359 1.650 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423015245 387838112 /nfs/dbraw/zinc/83/81/12/387838112.db2.gz QOEORXVTPXHPSZ-RWMBFGLXSA-N 2 0 228.380 1.645 20 0 BDADRP CCc1cnccc1[C@@H](C)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000423015416 387839121 /nfs/dbraw/zinc/83/91/21/387839121.db2.gz KTARGGJSOOCMIX-GHMZBOCLSA-N 2 0 233.359 1.903 20 0 BDADRP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)C1(C)C ZINC000423019091 387840501 /nfs/dbraw/zinc/84/05/01/387840501.db2.gz TYFCTHFSRNWPCR-RXGFPQBGSA-N 2 0 240.391 1.776 20 0 BDADRP CC(C)[C@H](O)C1(C[NH2+][C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000423018261 387841036 /nfs/dbraw/zinc/84/10/36/387841036.db2.gz QNSZNGZNKGFHDI-SRVKXCTJSA-N 2 0 228.380 1.499 20 0 BDADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@@H](C)C2C[NH2+]C2)C1(C)C ZINC000423016696 387841045 /nfs/dbraw/zinc/84/10/45/387841045.db2.gz NEOXOUWVCBWLHA-RBLKWDMZSA-N 2 0 226.364 1.243 20 0 BDADRP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCO1 ZINC000423016412 387841468 /nfs/dbraw/zinc/84/14/68/387841468.db2.gz SVZSKOWKJIORPH-AEBFUODCSA-N 2 0 238.375 1.817 20 0 BDADRP CC[C@H](NCC1=CC[N@H+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000423019112 387841602 /nfs/dbraw/zinc/84/16/02/387841602.db2.gz UAKWZUZJHYCFJJ-KBPBESRZSA-N 2 0 237.391 1.369 20 0 BDADRP C[C@@H]1[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)CCCN1C ZINC000423025937 387843117 /nfs/dbraw/zinc/84/31/17/387843117.db2.gz AGUUNOARTQFGNU-UPJWGTAASA-N 2 0 225.380 1.201 20 0 BDADRP C[C@H]1[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[N@@H+]1C ZINC000423034158 387848579 /nfs/dbraw/zinc/84/85/79/387848579.db2.gz PMIFKRZYGLBJDQ-MWWBDVBNSA-N 2 0 237.391 1.342 20 0 BDADRP CC1=CCN(CC[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000423032180 387849185 /nfs/dbraw/zinc/84/91/85/387849185.db2.gz DZXWABZCQJUVST-UONOGXRCSA-N 2 0 237.391 1.226 20 0 BDADRP CC1=CCN(CC[NH2+][C@H](C)CCCC[NH3+])CC1 ZINC000423032501 387849408 /nfs/dbraw/zinc/84/94/08/387849408.db2.gz FMSXUQQSDWBRKS-CQSZACIVSA-N 2 0 239.407 1.746 20 0 BDADRP CC[C@H]([NH2+]CC[C@H]1CCOC1)[C@@H]1CCC[NH2+]1 ZINC000423031960 387849516 /nfs/dbraw/zinc/84/95/16/387849516.db2.gz LVWWDZDFZQUXMG-AVGNSLFASA-N 2 0 226.364 1.533 20 0 BDADRP CC(C)OCC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423040696 387852841 /nfs/dbraw/zinc/85/28/41/387852841.db2.gz UUDMZGIOCMPYCP-NWDGAFQWSA-N 2 0 214.353 1.661 20 0 BDADRP CC1=CCN(CC[NH2+][C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000423039276 387853626 /nfs/dbraw/zinc/85/36/26/387853626.db2.gz QAKLMLZJFXKBAP-STQMWFEESA-N 2 0 225.380 1.354 20 0 BDADRP CC(C)C[C@@H]1C[C@@H]([NH2+][C@@H](C)C2C[NH2+]C2)CCO1 ZINC000423039928 387854166 /nfs/dbraw/zinc/85/41/66/387854166.db2.gz GFRFJGXFGOJQHH-FPMFFAJLSA-N 2 0 240.391 1.778 20 0 BDADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCCO1 ZINC000423043939 387854757 /nfs/dbraw/zinc/85/47/57/387854757.db2.gz QEGSGEZCKZNPCH-BEUHCMRWSA-N 2 0 238.375 1.817 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCC[C@H]1CCCCO1 ZINC000423042065 387855054 /nfs/dbraw/zinc/85/50/54/387855054.db2.gz YLDFHCXURYIWRD-JHJVBQTASA-N 2 0 226.364 1.805 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC[C@H]1CCCCO1 ZINC000423043582 387855751 /nfs/dbraw/zinc/85/57/51/387855751.db2.gz PDZSDXADORFORR-SDDRHHMPSA-N 2 0 214.353 1.661 20 0 BDADRP Cc1nccn1CC[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000235792332 387858781 /nfs/dbraw/zinc/85/87/81/387858781.db2.gz CBTMZVCGBROSMO-CHWSQXEVSA-N 2 0 235.331 1.349 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000423051944 387859902 /nfs/dbraw/zinc/85/99/02/387859902.db2.gz PKBARQAKYJEDQQ-ASEORRQLSA-N 2 0 238.375 1.674 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000423050875 387860562 /nfs/dbraw/zinc/86/05/62/387860562.db2.gz MYBXUUBPNZTHJE-MRVWCRGKSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(CO)CCCC1 ZINC000423051819 387860893 /nfs/dbraw/zinc/86/08/93/387860893.db2.gz OEBRJGXECZBKHZ-QWHCGFSZSA-N 2 0 240.391 1.517 20 0 BDADRP C[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000423051946 387860934 /nfs/dbraw/zinc/86/09/34/387860934.db2.gz PKBARQAKYJEDQQ-DOERSZECSA-N 2 0 238.375 1.674 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@@H]2C[C@H]3OCCC[C@H]23)CC1 ZINC000423053329 387862464 /nfs/dbraw/zinc/86/24/64/387862464.db2.gz AKUFDJZXSSVBPG-YTPFDHIKSA-N 2 0 238.375 1.661 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])CCO[C@@H]1C1CC1 ZINC000423057482 387863234 /nfs/dbraw/zinc/86/32/34/387863234.db2.gz ZXSCZCLYRXKQRN-REWJHTLYSA-N 2 0 238.375 1.661 20 0 BDADRP CC1(C)CC[C@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643536256 387868025 /nfs/dbraw/zinc/86/80/25/387868025.db2.gz PHZPKGDKEYIFLJ-MNOVXSKESA-N 2 0 208.349 1.907 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000423067755 387869365 /nfs/dbraw/zinc/86/93/65/387869365.db2.gz IHVLLOKAJCENAN-HBNTYKKESA-N 2 0 200.326 1.142 20 0 BDADRP CCN(C)CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000194000430 387869836 /nfs/dbraw/zinc/86/98/36/387869836.db2.gz LVWYLSHOZSLHJJ-JHJVBQTASA-N 2 0 238.375 1.485 20 0 BDADRP Cc1cccc(C[C@H](CO)[NH2+][C@@H]2CCC[C@H]2[NH3+])c1 ZINC000423066484 387870429 /nfs/dbraw/zinc/87/04/29/387870429.db2.gz DUEOZOCRIKPMCF-RBSFLKMASA-N 2 0 248.370 1.368 20 0 BDADRP CC1(C)CCC[N@H+](CCN[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000423070514 387872139 /nfs/dbraw/zinc/87/21/39/387872139.db2.gz CYLYFIVCZFSKIJ-CHWSQXEVSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@@H]([NH3+])CN1CC[C@@H](Cc2ccccc2)C1 ZINC000442659425 387814739 /nfs/dbraw/zinc/81/47/39/387814739.db2.gz KMUBIIRZYIBXAK-OCCSQVGLSA-N 2 0 218.344 1.898 20 0 BDADRP CC[NH+](CC)CC1CCN(C[C@H](C)[NH3+])CC1 ZINC000442661009 387816099 /nfs/dbraw/zinc/81/60/99/387816099.db2.gz FAEKGCHTJOPBGR-LBPRGKRZSA-N 2 0 227.396 1.387 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1ccccc1O ZINC000422967221 387816747 /nfs/dbraw/zinc/81/67/47/387816747.db2.gz BSSWQIHBADUVSM-GXTWGEPZSA-N 2 0 248.370 1.912 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422968405 387818218 /nfs/dbraw/zinc/81/82/18/387818218.db2.gz WTDUYZNFDNKONJ-KGLIPLIRSA-N 2 0 241.423 1.694 20 0 BDADRP CC[N@@H+]1CC[C@H](N(C)C[C@H](C)[NH3+])C[C@@H]1C ZINC000442666651 387818779 /nfs/dbraw/zinc/81/87/79/387818779.db2.gz VWGNDIYRABCNMW-SRVKXCTJSA-N 2 0 213.369 1.138 20 0 BDADRP CCC(CC)(CO)C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000423002877 387819271 /nfs/dbraw/zinc/81/92/71/387819271.db2.gz KFWFSSHTSKDJHR-MNOVXSKESA-N 2 0 216.369 1.501 20 0 BDADRP C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000423101409 387889481 /nfs/dbraw/zinc/88/94/81/387889481.db2.gz CWINPDHIWIHZCO-FDYHWXHSSA-N 2 0 226.364 1.376 20 0 BDADRP CCCN1CCC[C@H]1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000423103224 387889502 /nfs/dbraw/zinc/88/95/02/387889502.db2.gz FZLRKYXQPCSKBE-KBPBESRZSA-N 3 0 241.423 1.968 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000423105380 387890801 /nfs/dbraw/zinc/89/08/01/387890801.db2.gz IIWJBYHCRASBLV-RQJABVFESA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H]1CSC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423107589 387890916 /nfs/dbraw/zinc/89/09/16/387890916.db2.gz KZOGGVKIZJWVAA-ARHMULMVSA-N 2 0 226.389 1.611 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H](CO)CC1CCCC1 ZINC000423106909 387891479 /nfs/dbraw/zinc/89/14/79/387891479.db2.gz RQHKINRYOXASCU-OBJOEFQTSA-N 2 0 242.407 1.891 20 0 BDADRP CC[C@H]([NH2+]Cc1cncn1C(C)C)C(=O)NC ZINC000424180011 387891683 /nfs/dbraw/zinc/89/16/83/387891683.db2.gz MVEJXBPROSUBQH-NSHDSACASA-N 2 0 238.335 1.078 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cnn2ccccc12 ZINC000423106006 387892098 /nfs/dbraw/zinc/89/20/98/387892098.db2.gz OCVAHXJZCMTFES-MNOVXSKESA-N 2 0 232.331 1.550 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCC[C@H]1C ZINC000423109763 387892397 /nfs/dbraw/zinc/89/23/97/387892397.db2.gz URSSJXMGGNYMNO-QMVSFRDZSA-N 2 0 240.391 1.765 20 0 BDADRP CCC[N@@H+]1CCC[C@H]1CN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000423116114 387898030 /nfs/dbraw/zinc/89/80/30/387898030.db2.gz ZPJMGJAPMFLHLB-HZSPNIEDSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCSC1 ZINC000423082913 387878123 /nfs/dbraw/zinc/87/81/23/387878123.db2.gz FEQBEHRTVLWSSP-WOPDTQHZSA-N 2 0 228.405 1.717 20 0 BDADRP COC(=O)[C@H]1CC[C@@H]([NH2+][C@H](C)CCC[NH3+])C1 ZINC000423082917 387878860 /nfs/dbraw/zinc/87/88/60/387878860.db2.gz FFJXUJKBZDAAOM-OUAUKWLOSA-N 2 0 228.336 1.045 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000423082937 387879098 /nfs/dbraw/zinc/87/90/98/387879098.db2.gz FHGUHLBZIBCYAX-RDBSUJKOSA-N 2 0 241.423 1.966 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000423088838 387880401 /nfs/dbraw/zinc/88/04/01/387880401.db2.gz QXAZHXOWWUUGSW-NEPJUHHUSA-N 3 0 239.407 1.576 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423086218 387880434 /nfs/dbraw/zinc/88/04/34/387880434.db2.gz MKYBVLLMBAHOBN-MCIONIFRSA-N 2 0 241.423 1.837 20 0 BDADRP C[C@H]([NH2+]Cc1ccc2ncccc2c1)C1C[NH2+]C1 ZINC000423086053 387880955 /nfs/dbraw/zinc/88/09/55/387880955.db2.gz MEDYZCZVRBFTRH-NSHDSACASA-N 2 0 241.338 1.932 20 0 BDADRP CSC1(C[NH2+][C@H]2CCC[C@@H]2[NH3+])CCC1 ZINC000423089889 387882576 /nfs/dbraw/zinc/88/25/76/387882576.db2.gz TZSWVQQZHPSCCE-UWVGGRQHSA-N 2 0 214.378 1.742 20 0 BDADRP CO[C@H]1CCCC[C@@H]1[NH2+][C@H](C)CCC[NH3+] ZINC000423116534 387898701 /nfs/dbraw/zinc/89/87/01/387898701.db2.gz QGNYSOWXJJRWIA-WOPDTQHZSA-N 2 0 214.353 1.661 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCCCC[NH+]1CCCC1 ZINC000423140185 387917870 /nfs/dbraw/zinc/91/78/70/387917870.db2.gz XQJLCJRLNNXFNL-ZIAGYGMSSA-N 3 0 241.423 1.968 20 0 BDADRP CCSCCC[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000423116963 387899120 /nfs/dbraw/zinc/89/91/20/387899120.db2.gz SGGHRPCKKFBVEQ-NXEZZACHSA-N 2 0 202.367 1.599 20 0 BDADRP CC(C)[N@@H+](C)C[C@H](C)N[C@H](C)C[C@@H](C)[NH3+] ZINC000423119461 387900465 /nfs/dbraw/zinc/90/04/65/387900465.db2.gz CKLIUTQPKVLITO-UTUOFQBUSA-N 2 0 215.385 1.431 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)[C@H]1CCCC[NH2+]1 ZINC000423120084 387901219 /nfs/dbraw/zinc/90/12/19/387901219.db2.gz GEDONRQCRDQJGM-IRCOFANPSA-N 2 0 214.328 1.997 20 0 BDADRP CCCC[N@H+](C)C[C@H](C)N[C@H](C)[C@H]1CCC[NH2+]1 ZINC000423129420 387906949 /nfs/dbraw/zinc/90/69/49/387906949.db2.gz XAHBDMJPFGQXQI-BFHYXJOUSA-N 2 0 241.423 1.837 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CCCCC[NH+]1CCCC1 ZINC000423129563 387908117 /nfs/dbraw/zinc/90/81/17/387908117.db2.gz FHVWWEFXWWXAAR-AWEZNQCLSA-N 3 0 241.423 1.970 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@H](F)C1)[C@H]1CCC[NH2+]1 ZINC000423130408 387908238 /nfs/dbraw/zinc/90/82/38/387908238.db2.gz SEDNGZQCUDNCLZ-UKKRHICBSA-N 2 0 200.301 1.607 20 0 BDADRP CCCC[N@H+](C)C[C@H](C)N[C@H](C)C[C@@H](C)[NH3+] ZINC000423130712 387908248 /nfs/dbraw/zinc/90/82/48/387908248.db2.gz YRSJHVGCJQBQLX-UPJWGTAASA-N 2 0 229.412 1.822 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](CO)CC1CCC1 ZINC000423130152 387908314 /nfs/dbraw/zinc/90/83/14/387908314.db2.gz MOXQEZIWFNJWIA-NHCYSSNCSA-N 2 0 214.353 1.253 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@H](F)C1 ZINC000423132815 387908918 /nfs/dbraw/zinc/90/89/18/387908918.db2.gz UYZSOUWVLIZPTE-NAKRPEOUSA-N 2 0 200.301 1.594 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000423131753 387909235 /nfs/dbraw/zinc/90/92/35/387909235.db2.gz IKQYVZSMZGIQFZ-GUBZILKMSA-N 2 0 223.320 1.564 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)N[C@H]1CCC[C@H]1[NH3+] ZINC000423144671 387919484 /nfs/dbraw/zinc/91/94/84/387919484.db2.gz ZJDCDAMNVSYKNE-XQQFMLRXSA-N 2 0 227.396 1.576 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCCCF ZINC000423132122 387909806 /nfs/dbraw/zinc/90/98/06/387909806.db2.gz BORCZYCRWRYQGM-WDEREUQCSA-N 2 0 202.317 1.714 20 0 BDADRP C[C@@H]1CO[C@@H](C)CN1CCC[NH+]1CCCCC1 ZINC000124880346 387912770 /nfs/dbraw/zinc/91/27/70/387912770.db2.gz QVWKXQJVKJOEEN-KGLIPLIRSA-N 2 0 240.391 1.972 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@@H](F)C1 ZINC000423135931 387913333 /nfs/dbraw/zinc/91/33/33/387913333.db2.gz YKHIEJRUXKDHDS-USZNOCQGSA-N 2 0 214.328 1.984 20 0 BDADRP Cc1cccnc1C(C)(C)C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000423138011 387916360 /nfs/dbraw/zinc/91/63/60/387916360.db2.gz ISZZGAVIIHDJNA-LBPRGKRZSA-N 2 0 247.386 1.865 20 0 BDADRP CC[C@H]([NH2+]CC(C)(C)COC)[C@@H]1CCC[NH2+]1 ZINC000423138618 387916450 /nfs/dbraw/zinc/91/64/50/387916450.db2.gz YFNLDEZYMNXNPR-RYUDHWBXSA-N 2 0 228.380 1.779 20 0 BDADRP OC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCC1 ZINC000423137933 387917167 /nfs/dbraw/zinc/91/71/67/387917167.db2.gz IJTLQZVOVGBOQM-PIGZVRMJSA-N 2 0 238.375 1.410 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)[C@H]1CCC[NH2+]1 ZINC000423151011 387930386 /nfs/dbraw/zinc/93/03/86/387930386.db2.gz CJPFSDRMOHPKLP-LPWJVIDDSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000423154840 387933971 /nfs/dbraw/zinc/93/39/71/387933971.db2.gz KDEIHARKUHFWGZ-KXNHARMFSA-N 2 0 214.353 1.253 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423155991 387934894 /nfs/dbraw/zinc/93/48/94/387934894.db2.gz KJTCLAPGLDPNNC-FRRDWIJNSA-N 2 0 228.380 1.373 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCC1(F)F ZINC000423154926 387935352 /nfs/dbraw/zinc/93/53/52/387935352.db2.gz PPYXYFNQDCPBGO-AEJSXWLSSA-N 2 0 218.291 1.891 20 0 BDADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000392198426 387935491 /nfs/dbraw/zinc/93/54/91/387935491.db2.gz WDDSFRVVPTVEEY-KGLIPLIRSA-N 3 0 237.391 1.355 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000423157617 387936401 /nfs/dbraw/zinc/93/64/01/387936401.db2.gz BHGFTUDYXOHAKT-NNYUYHANSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@H]1F)[C@H]1CC[NH2+]C1 ZINC000423147472 387925439 /nfs/dbraw/zinc/92/54/39/387925439.db2.gz SECPRWXSCBYXCF-MMWGEVLESA-N 2 0 200.301 1.465 20 0 BDADRP CC[C@@H]([NH2+]CC[C@@H](C)CCO)[C@@H]1CCC[NH2+]1 ZINC000423147350 387926004 /nfs/dbraw/zinc/92/60/04/387926004.db2.gz RUFMSFQSDIOCTN-UPJWGTAASA-N 2 0 228.380 1.515 20 0 BDADRP COCC[C@H](C)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000423168143 387952793 /nfs/dbraw/zinc/95/27/93/387952793.db2.gz GWHQPEKZMPERQZ-HIFPTAJRSA-N 2 0 228.380 1.766 20 0 BDADRP COCC1(C[NH2+][C@H](C)C[C@@H](C)[NH3+])CCCC1 ZINC000423169895 387954612 /nfs/dbraw/zinc/95/46/12/387954612.db2.gz WVRXKOSMDHNEGB-VXGBXAGGSA-N 2 0 228.380 1.909 20 0 BDADRP CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000423169181 387955687 /nfs/dbraw/zinc/95/56/87/387955687.db2.gz VPQHOXMGHFEEOT-CYZMBNFOSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])O1 ZINC000423160783 387940645 /nfs/dbraw/zinc/94/06/45/387940645.db2.gz HVONGXSCTFCEJM-NDBYEHHHSA-N 2 0 226.364 1.804 20 0 BDADRP C[C@H]1CCNC[C@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000423160454 387941760 /nfs/dbraw/zinc/94/17/60/387941760.db2.gz HITONEYTTRXRIY-GXTWGEPZSA-N 2 0 239.407 1.448 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCN1CC=CCC1 ZINC000392241313 387944889 /nfs/dbraw/zinc/94/48/89/387944889.db2.gz KLSKHFSDKFFDCE-KGLIPLIRSA-N 2 0 237.391 1.355 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)CC(C)(C)O)[C@H]1CCC[NH2+]1 ZINC000423163484 387945028 /nfs/dbraw/zinc/94/50/28/387945028.db2.gz VOLOUUZAISCANE-HBNTYKKESA-N 2 0 214.353 1.266 20 0 BDADRP CC[C@@H]([NH2+]CC(C)(C)C(C)(C)O)[C@@H]1CCC[NH2+]1 ZINC000423163957 387945598 /nfs/dbraw/zinc/94/55/98/387945598.db2.gz RWVOBZSPWIDNNX-NEPJUHHUSA-N 2 0 242.407 1.904 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C2CCC([NH3+])CC2)c2nccn21 ZINC000329257056 387947778 /nfs/dbraw/zinc/94/77/78/387947778.db2.gz DUPKSXVPPMPCLD-YYJSSNLHSA-N 2 0 234.347 1.748 20 0 BDADRP C[C@H](C[NH3+])N(C)C[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000424268824 387948328 /nfs/dbraw/zinc/94/83/28/387948328.db2.gz LSOXKQFFIAWMSW-ZYHUDNBSSA-N 2 0 239.338 1.147 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCN2CC=CCC2)C1 ZINC000392280703 387949329 /nfs/dbraw/zinc/94/93/29/387949329.db2.gz HOMAEYQOLUUERF-OLZOCXBDSA-N 2 0 223.364 1.108 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCN2CC=CCC2)C1 ZINC000392280704 387949869 /nfs/dbraw/zinc/94/98/69/387949869.db2.gz HOMAEYQOLUUERF-QWHCGFSZSA-N 2 0 223.364 1.108 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000423166674 387950666 /nfs/dbraw/zinc/95/06/66/387950666.db2.gz VRLUZAMIMVJPDT-NDBYEHHHSA-N 2 0 226.364 1.255 20 0 BDADRP CCOCCC[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424297409 387958423 /nfs/dbraw/zinc/95/84/23/387958423.db2.gz SNYMTQOHLZSCLQ-ZDUSSCGKSA-N 2 0 240.391 1.877 20 0 BDADRP CC[C@H]1CC[C@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423188038 387972202 /nfs/dbraw/zinc/97/22/02/387972202.db2.gz PNNHZWYMPJSGFX-QWHCGFSZSA-N 2 0 225.380 1.060 20 0 BDADRP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H](O)C(C)C ZINC000423179209 387966789 /nfs/dbraw/zinc/96/67/89/387966789.db2.gz JFEZYOUJDDYFBG-QZQCMHJZSA-N 2 0 240.391 1.655 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])[C@H](C)O1 ZINC000423182295 387967225 /nfs/dbraw/zinc/96/72/25/387967225.db2.gz LKQZNOZQHHJJKU-MBJXGIAVSA-N 2 0 240.391 1.907 20 0 BDADRP CCC[C@@H]([NH2+]CCC[NH3+])c1ccccn1 ZINC000423182751 387968108 /nfs/dbraw/zinc/96/81/08/387968108.db2.gz HAIOITSALSICGA-LLVKDONJSA-N 2 0 207.321 1.861 20 0 BDADRP CO[C@@H](C)[C@@H](C)[NH2+]CC1([NH3+])CCCCC1 ZINC000423181319 387968174 /nfs/dbraw/zinc/96/81/74/387968174.db2.gz OTZNMYMLNNLEOK-MNOVXSKESA-N 2 0 214.353 1.661 20 0 BDADRP CC(C)n1cc([C@@H](C)[NH2+]CCC[NH3+])cn1 ZINC000423185051 387969192 /nfs/dbraw/zinc/96/91/92/387969192.db2.gz UQPZKPOMFYBVHW-SNVBAGLBSA-N 2 0 210.325 1.463 20 0 BDADRP C[C@@H]([NH2+]CCC[NH3+])C1CCSCC1 ZINC000423186049 387969249 /nfs/dbraw/zinc/96/92/49/387969249.db2.gz JWCQZGXFAKRVOP-SECBINFHSA-N 2 0 202.367 1.457 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+]CCC[NH3+])C1(CC)CC ZINC000423184363 387970390 /nfs/dbraw/zinc/97/03/90/387970390.db2.gz IMMOBDLHSFRARB-NEPJUHHUSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1F)C1C[NH2+]C1 ZINC000423187433 387971219 /nfs/dbraw/zinc/97/12/19/387971219.db2.gz PLYVRZOOKPZQHM-FBIMIBRVSA-N 2 0 200.301 1.465 20 0 BDADRP C[C@H]1CC[NH2+]C[C@H]1NCC[N@@H+]1CCCC1(C)C ZINC000423171332 387956800 /nfs/dbraw/zinc/95/68/00/387956800.db2.gz ZVABEJWSWUQHHJ-QWHCGFSZSA-N 2 0 239.407 1.448 20 0 BDADRP CS[C@H](C)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400498868 387980615 /nfs/dbraw/zinc/98/06/15/387980615.db2.gz IAPNBUVTRIKJGZ-KXUCPTDWSA-N 2 0 202.367 1.468 20 0 BDADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1CCC[NH2+]C1 ZINC000423195494 387980620 /nfs/dbraw/zinc/98/06/20/387980620.db2.gz SSCGBXDQFOZERN-CFVMTHIKSA-N 2 0 247.386 1.287 20 0 BDADRP CC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])[C@H](O)C(C)C ZINC000423188828 387972855 /nfs/dbraw/zinc/97/28/55/387972855.db2.gz QMOSEOAKZVIJLV-WHOHXGKFSA-N 2 0 216.369 1.497 20 0 BDADRP COCCCCC[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424331828 387976419 /nfs/dbraw/zinc/97/64/19/387976419.db2.gz JZEIGRRUXBGZIZ-VXGBXAGGSA-N 2 0 214.353 1.663 20 0 BDADRP CC(C)(C[NH3+])c1nc(C2([NH3+])CCCCC2)no1 ZINC000424332706 387977044 /nfs/dbraw/zinc/97/70/44/387977044.db2.gz CPBOEZLOMRCTRU-UHFFFAOYSA-N 2 0 238.335 1.424 20 0 BDADRP CCCCNC(=O)CC[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424331217 387977081 /nfs/dbraw/zinc/97/70/81/387977081.db2.gz JENBIMYYKPVVGO-VXGBXAGGSA-N 2 0 241.379 1.152 20 0 BDADRP CC[C@H]([NH2+]CCC[NH2+]C)C1(C(=O)OC)CCC1 ZINC000423201651 387987776 /nfs/dbraw/zinc/98/77/76/387987776.db2.gz PJSJULSSQVXPNU-NSHDSACASA-N 2 0 242.363 1.307 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H](C)Cc1ccc(OC)nc1 ZINC000423208567 387993060 /nfs/dbraw/zinc/99/30/60/387993060.db2.gz ZFEUSLQXBYOXJQ-NSHDSACASA-N 2 0 237.347 1.220 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[NH3+])CS1 ZINC000423196148 387982233 /nfs/dbraw/zinc/98/22/33/387982233.db2.gz ZBNCHCXPMSAESG-UTINFBMNSA-N 2 0 200.351 1.350 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+][C@@H]1CCCC[C@H]1F ZINC000423196179 387982322 /nfs/dbraw/zinc/98/23/22/387982322.db2.gz ZEQKNGMYUISLOH-DDHJBXDOSA-N 2 0 214.328 1.984 20 0 BDADRP Cc1ccc([C@H](C)[NH2+]CCN2CC[NH2+]CC2)o1 ZINC000423199706 387985343 /nfs/dbraw/zinc/98/53/43/387985343.db2.gz CEKDPHPGYDQMCM-LBPRGKRZSA-N 2 0 237.347 1.144 20 0 BDADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000424373581 387997771 /nfs/dbraw/zinc/99/77/71/387997771.db2.gz JTFSDXAQQHUTNC-UMSGYPCISA-N 2 0 225.380 1.186 20 0 BDADRP C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000423215793 387997829 /nfs/dbraw/zinc/99/78/29/387997829.db2.gz NNLDFNWZDYEMHZ-LBELIVKGSA-N 2 0 226.364 1.530 20 0 BDADRP COCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[NH2+]C1 ZINC000423215782 387998275 /nfs/dbraw/zinc/99/82/75/387998275.db2.gz OVPFNSUURLNVGT-SDDRHHMPSA-N 2 0 212.337 1.143 20 0 BDADRP COCCCCC[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420406771 387999991 /nfs/dbraw/zinc/99/99/91/387999991.db2.gz NZAONISLAMLHRK-OLZOCXBDSA-N 2 0 228.380 1.720 20 0 BDADRP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000246061450 388006016 /nfs/dbraw/zinc/00/60/16/388006016.db2.gz ZEQLVQKLKQDWLQ-MROQNXINSA-N 2 0 238.375 1.362 20 0 BDADRP C[C@H]([NH3+])CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000423225281 388008088 /nfs/dbraw/zinc/00/80/88/388008088.db2.gz MBHVUGDSAHSBBK-LOWDOPEQSA-N 2 0 225.380 1.186 20 0 BDADRP C[C@H]([NH3+])CCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423226565 388008735 /nfs/dbraw/zinc/00/87/35/388008735.db2.gz REHKSGPCAMNLLM-XDQVBPFNSA-N 2 0 239.407 1.624 20 0 BDADRP C[C@H]([NH3+])CC[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000423226528 388008800 /nfs/dbraw/zinc/00/88/00/388008800.db2.gz RBNZEZRVULMUTI-TVQRCGJNSA-N 2 0 237.322 1.999 20 0 BDADRP C[C@@H](NC[C@@H]([NH3+])c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000423241588 388023645 /nfs/dbraw/zinc/02/36/45/388023645.db2.gz DHXWAKYHQVPOKZ-MRVWCRGKSA-N 2 0 233.359 1.417 20 0 BDADRP COCCC[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423230450 388015147 /nfs/dbraw/zinc/01/51/47/388015147.db2.gz DPBPQOJVFBFABR-GHMZBOCLSA-N 2 0 200.326 1.143 20 0 BDADRP COCCC[C@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423230453 388015772 /nfs/dbraw/zinc/01/57/72/388015772.db2.gz DPBPQOJVFBFABR-WDEREUQCSA-N 2 0 200.326 1.143 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccco1 ZINC000423252009 388034143 /nfs/dbraw/zinc/03/41/43/388034143.db2.gz SUKJAYYKTUDFQU-QWRGUYRKSA-N 2 0 208.305 1.930 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H]([NH3+])c1ccccc1 ZINC000423254098 388035801 /nfs/dbraw/zinc/03/58/01/388035801.db2.gz XCYIHHKLBGNCAY-BPLDGKMQSA-N 2 0 247.386 1.664 20 0 BDADRP COC[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)C(C)C ZINC000423254450 388036127 /nfs/dbraw/zinc/03/61/27/388036127.db2.gz YCLDGGBKTXFFGR-NWDGAFQWSA-N 2 0 214.353 1.247 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCC[C@H]1CCOC ZINC000423255959 388036631 /nfs/dbraw/zinc/03/66/31/388036631.db2.gz BBFUDAZJYOXTMN-RWMBFGLXSA-N 2 0 228.380 1.637 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[NH2+]C2)CC[N@@H+]1C ZINC000423255113 388036667 /nfs/dbraw/zinc/03/66/67/388036667.db2.gz AUOQVPMLUWKPOI-MCIONIFRSA-N 3 0 239.407 1.448 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423255808 388036738 /nfs/dbraw/zinc/03/67/38/388036738.db2.gz AUBRGMUEMHECKU-IHRRRGAJSA-N 3 0 239.407 1.483 20 0 BDADRP CC(C)C[C@H](C[NH3+])N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000423262884 388040954 /nfs/dbraw/zinc/04/09/54/388040954.db2.gz NPWWXQQTTWOGQB-BFHYXJOUSA-N 2 0 239.407 1.576 20 0 BDADRP CC[C@@H](COC)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446884105 388041382 /nfs/dbraw/zinc/04/13/82/388041382.db2.gz MSJOFZWIBBDFLP-ZDUSSCGKSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423263856 388041546 /nfs/dbraw/zinc/04/15/46/388041546.db2.gz BFXULERKCLBFAO-YUELXQCFSA-N 2 0 249.402 1.518 20 0 BDADRP CC[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)[C@H]1CCOC1 ZINC000423264753 388041788 /nfs/dbraw/zinc/04/17/88/388041788.db2.gz YWSJNTSXXFXXRZ-IHRRRGAJSA-N 2 0 240.391 1.781 20 0 BDADRP COC[C@H]([NH2+]C[C@H]([NH3+])C(C)C)C1CCCC1 ZINC000423263256 388042653 /nfs/dbraw/zinc/04/26/53/388042653.db2.gz ANFOEDWXLZCSFB-STQMWFEESA-N 2 0 228.380 1.765 20 0 BDADRP CC[C@H](COC)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446884104 388042754 /nfs/dbraw/zinc/04/27/54/388042754.db2.gz MSJOFZWIBBDFLP-CYBMUJFWSA-N 2 0 240.391 1.875 20 0 BDADRP COC[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000423248387 388029761 /nfs/dbraw/zinc/02/97/61/388029761.db2.gz NGBBUYXXYRWDPZ-OCCSQVGLSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)C1CCSCC1 ZINC000423246343 388029970 /nfs/dbraw/zinc/02/99/70/388029970.db2.gz ZENHJMQWNAJABX-PWSUYJOCSA-N 2 0 228.405 1.860 20 0 BDADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423246074 388030772 /nfs/dbraw/zinc/03/07/72/388030772.db2.gz JUTOYESRUYJVSJ-AAEUAGOBSA-N 2 0 248.374 1.387 20 0 BDADRP CC[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423249984 388031713 /nfs/dbraw/zinc/03/17/13/388031713.db2.gz PSJAAYMBUCKVGE-AGIUHOORSA-N 3 0 225.380 1.106 20 0 BDADRP CC[C@H](NC[C@H](C)C[NH2+]C)[C@@H]1CCCC[NH2+]1 ZINC000423272895 388053196 /nfs/dbraw/zinc/05/31/96/388053196.db2.gz KFRAHJJCMQTLBK-AGIUHOORSA-N 2 0 227.396 1.352 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000423273877 388053597 /nfs/dbraw/zinc/05/35/97/388053597.db2.gz LBFMCVAVJZCHRW-REWJHTLYSA-N 2 0 239.407 1.432 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCCc2c1cnn2C ZINC000423273565 388053607 /nfs/dbraw/zinc/05/36/07/388053607.db2.gz LDAYVGPPGHDSGF-JQWIXIFHSA-N 2 0 236.363 1.243 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000423277950 388058718 /nfs/dbraw/zinc/05/87/18/388058718.db2.gz QPESVWQJPHSZGQ-NEPJUHHUSA-N 2 0 236.359 1.685 20 0 BDADRP CC(C)[C@@H]([NH3+])C[NH2+][C@H]1C[C@@H](C)O[C@H]1C ZINC000423278340 388059812 /nfs/dbraw/zinc/05/98/12/388059812.db2.gz QRNQTHVCACVUMO-RCWTZXSCSA-N 2 0 200.326 1.125 20 0 BDADRP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@H]([NH3+])C(C)C ZINC000423278605 388060954 /nfs/dbraw/zinc/06/09/54/388060954.db2.gz QYTHJFWFWMFYNI-RWMBFGLXSA-N 2 0 228.380 1.765 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]([NH3+])C(C)C ZINC000423281964 388063973 /nfs/dbraw/zinc/06/39/73/388063973.db2.gz VOYXCANMLDQYRV-AVGNSLFASA-N 2 0 228.380 1.765 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+]CC(C)(C)[NH3+])C12CCC2 ZINC000423286857 388070872 /nfs/dbraw/zinc/07/08/72/388070872.db2.gz JDGFZFKOCHIISQ-QWRGUYRKSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@@H](NCC[NH2+]C1CCCCCC1)C1C[NH2+]C1 ZINC000423286770 388071701 /nfs/dbraw/zinc/07/17/01/388071701.db2.gz IOTIWYAFVLNLFV-GFCCVEGCSA-N 2 0 239.407 1.496 20 0 BDADRP CCCCOCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000084216366 388074664 /nfs/dbraw/zinc/07/46/64/388074664.db2.gz RJMHDMDKFSENPY-CHWSQXEVSA-N 2 0 228.380 1.910 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000423291641 388076147 /nfs/dbraw/zinc/07/61/47/388076147.db2.gz JERALCMCHDZGTP-SRVKXCTJSA-N 3 0 235.375 1.922 20 0 BDADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000423293263 388076490 /nfs/dbraw/zinc/07/64/90/388076490.db2.gz QPPQKBYMLODHOP-CQDKDKBSSA-N 3 0 247.386 1.923 20 0 BDADRP CCC([NH3+])(CC)CN[C@@H]1C[NH2+]CC[C@H]1C ZINC000423294927 388077251 /nfs/dbraw/zinc/07/72/51/388077251.db2.gz VRQGVAHIWLIMPF-GHMZBOCLSA-N 2 0 213.369 1.092 20 0 BDADRP CCC([NH3+])(CC)CN[C@H]1C[NH2+]CC[C@H]1C ZINC000423294928 388077445 /nfs/dbraw/zinc/07/74/45/388077445.db2.gz VRQGVAHIWLIMPF-MNOVXSKESA-N 2 0 213.369 1.092 20 0 BDADRP CC[C@H](NCC([NH3+])(CC)CC)[C@@H]1CCC[NH2+]1 ZINC000423295182 388077702 /nfs/dbraw/zinc/07/77/02/388077702.db2.gz WIPDSMUVFCUAJJ-RYUDHWBXSA-N 2 0 227.396 1.624 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000423296963 388078366 /nfs/dbraw/zinc/07/83/66/388078366.db2.gz ICOJFBMLOXDIKI-IGQOVBAYSA-N 2 0 241.423 1.822 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423297118 388078436 /nfs/dbraw/zinc/07/84/36/388078436.db2.gz IURZOYSXJKVRRE-YNEHKIRRSA-N 2 0 227.396 1.482 20 0 BDADRP CCCC[C@@H](C[NH3+])N[C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000423296728 388078741 /nfs/dbraw/zinc/07/87/41/388078741.db2.gz HOHUMRQWPVLPMF-AVGNSLFASA-N 2 0 227.396 1.624 20 0 BDADRP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1cncc(F)c1 ZINC000423298423 388079691 /nfs/dbraw/zinc/07/96/91/388079691.db2.gz OKAHMAQNDQGWEP-DTWKUNHWSA-N 2 0 211.284 1.466 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@H]1C[N@H+](CC)C[C@@H]1C ZINC000423297958 388080112 /nfs/dbraw/zinc/08/01/12/388080112.db2.gz MNZTUHFRTUXDCD-XQQFMLRXSA-N 2 0 227.396 1.434 20 0 BDADRP C[NH+](C)CCOCC[NH2+][C@H]1CCC[C@@H]1C1CC1 ZINC000447595102 388080568 /nfs/dbraw/zinc/08/05/68/388080568.db2.gz LCMUAFHEVNDSEK-KGLIPLIRSA-N 2 0 240.391 1.733 20 0 BDADRP Cn1cccc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453603311 388090641 /nfs/dbraw/zinc/09/06/41/388090641.db2.gz XHNCJPQNFJLTCA-UHFFFAOYSA-N 2 0 235.375 1.989 20 0 BDADRP CCC(O)(CC)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000336661373 388102685 /nfs/dbraw/zinc/10/26/85/388102685.db2.gz CBYRUROQSNFVGU-NSHDSACASA-N 2 0 216.369 1.645 20 0 BDADRP CC(C)CC[NH+]1CCC(OCCC[NH3+])CC1 ZINC000086723442 388108164 /nfs/dbraw/zinc/10/81/64/388108164.db2.gz FBYRYVRWWLSPDX-UHFFFAOYSA-N 2 0 228.380 1.862 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000423268325 388047925 /nfs/dbraw/zinc/04/79/25/388047925.db2.gz FZLMBVLTFCKEDN-CMPLNLGQSA-N 2 0 236.363 1.243 20 0 BDADRP CC[C@@H]([NH2+]C[C@@H](C)C[NH2+]C)c1ccncc1 ZINC000423269502 388049465 /nfs/dbraw/zinc/04/94/65/388049465.db2.gz GZFQPBSNCOBWIZ-WCQYABFASA-N 2 0 221.348 1.978 20 0 BDADRP CC[NH+]1CCN([C@H](C)C[NH2+]C[C@H]2C[C@@H]2C)CC1 ZINC000488468691 388181694 /nfs/dbraw/zinc/18/16/94/388181694.db2.gz SMGQBFCMYKMWTM-BFHYXJOUSA-N 2 0 239.407 1.258 20 0 BDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)CC[C@H](C)[NH3+] ZINC000646012420 388124068 /nfs/dbraw/zinc/12/40/68/388124068.db2.gz OMXUBAUMSCICGP-NWDGAFQWSA-N 2 0 241.379 1.104 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)NCC(C)(C)C[NH+](C)C ZINC000449068718 388139050 /nfs/dbraw/zinc/13/90/50/388139050.db2.gz UPNNBUITQCIELN-LLVKDONJSA-N 2 0 243.395 1.079 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)C1 ZINC000449107282 388144128 /nfs/dbraw/zinc/14/41/28/388144128.db2.gz OWTWBERIVRUNLH-IGQOVBAYSA-N 2 0 240.391 1.874 20 0 BDADRP CCC[NH2+][C@@H](C)C(=O)NCC[N@H+](CC)CCC ZINC000449142051 388147482 /nfs/dbraw/zinc/14/74/82/388147482.db2.gz MWLPUMDHTXHIMC-LBPRGKRZSA-N 2 0 243.395 1.223 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H](C)[NH2+]CCC ZINC000449145365 388148446 /nfs/dbraw/zinc/14/84/46/388148446.db2.gz XLZRXCRRAXKCHP-GHMZBOCLSA-N 2 0 229.368 1.008 20 0 BDADRP CC(C)C[C@@H](C)[NH2+]C[C@@H]1CCCN1CCCO ZINC000449387656 388190707 /nfs/dbraw/zinc/19/07/07/388190707.db2.gz MLDPSQYIHTXLLT-KGLIPLIRSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@@H]1[C@@H](CO)CC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000488750522 388193887 /nfs/dbraw/zinc/19/38/87/388193887.db2.gz UMCUWDLYZCPCGF-ZIAGYGMSSA-N 2 0 240.391 1.565 20 0 BDADRP CCC[C@@H]([NH3+])C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000489480026 388216457 /nfs/dbraw/zinc/21/64/57/388216457.db2.gz PADGRNAUSWYYDK-JOYOIKCWSA-N 2 0 235.331 1.772 20 0 BDADRP C[C@H](CCC[NH3+])NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000449574043 388236440 /nfs/dbraw/zinc/23/64/40/388236440.db2.gz VGLWZLWOUDXBMN-WOPDTQHZSA-N 2 0 241.379 1.103 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH2+][C@H]1COCC1(C)C ZINC000451813591 388298006 /nfs/dbraw/zinc/29/80/06/388298006.db2.gz RGAJWKZKVPSARJ-RYUDHWBXSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1CCN(C[C@H]2CCCCO2)[C@H](C[NH3+])C1 ZINC000300036962 388346290 /nfs/dbraw/zinc/34/62/90/388346290.db2.gz FFSLGYPJOGVHIF-FRRDWIJNSA-N 2 0 226.364 1.615 20 0 BDADRP C[C@@H]1CN(C[C@@H]2CCC3(CCCC3)O2)C[C@H]1[NH3+] ZINC000300050043 388347675 /nfs/dbraw/zinc/34/76/75/388347675.db2.gz WSKBEZAVJABCJB-FRRDWIJNSA-N 2 0 238.375 1.757 20 0 BDADRP CO[C@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000234871225 388362398 /nfs/dbraw/zinc/36/23/98/388362398.db2.gz GTXOWTFNCRTIRZ-RYUDHWBXSA-N 2 0 212.337 1.097 20 0 BDADRP COCC[C@H](C)[NH2+]C[C@@H]1CCCN1CCOC ZINC000163430850 388362404 /nfs/dbraw/zinc/36/24/04/388362404.db2.gz BFOQBLCIRWHZCE-STQMWFEESA-N 2 0 244.379 1.112 20 0 BDADRP COc1ccccc1C[C@H](C)[NH2+][C@H](C)CN ZINC000234909153 388363201 /nfs/dbraw/zinc/36/32/01/388363201.db2.gz WRAPVMHIPPPZGR-WDEREUQCSA-N 2 0 222.332 1.563 20 0 BDADRP Cc1ccncc1CN1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235327003 388367759 /nfs/dbraw/zinc/36/77/59/388367759.db2.gz FHZCDDSIFIRSQO-PWSUYJOCSA-N 2 0 205.305 1.169 20 0 BDADRP C[C@@]1(C[NH3+])CCN(Cc2ccccn2)C1 ZINC000235440191 388369540 /nfs/dbraw/zinc/36/95/40/388369540.db2.gz QJAINDGYJIDNFX-LBPRGKRZSA-N 2 0 205.305 1.252 20 0 BDADRP C[C@@]1(C[NH3+])CCN(Cc2ccncc2)C1 ZINC000235440277 388369747 /nfs/dbraw/zinc/36/97/47/388369747.db2.gz JVJHGXUDFRTGCI-LBPRGKRZSA-N 2 0 205.305 1.252 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](O)C1CCC1 ZINC000316055815 388406057 /nfs/dbraw/zinc/40/60/57/388406057.db2.gz XUQXSFVZNQZEDY-OXHZDVMGSA-N 2 0 240.391 1.466 20 0 BDADRP C[C@@H]([NH3+])CCC(=O)Nc1cccc(C[NH3+])c1 ZINC000646578831 388389171 /nfs/dbraw/zinc/38/91/71/388389171.db2.gz GZLAPCAFTGBFBF-SECBINFHSA-N 2 0 221.304 1.211 20 0 BDADRP CCCN1CCC[C@H]1C[NH2+][C@@H]1CCO[C@H]1C ZINC000393796633 388443022 /nfs/dbraw/zinc/44/30/22/388443022.db2.gz PHZNSNASYPYCJU-RWMBFGLXSA-N 2 0 226.364 1.628 20 0 BDADRP Cc1c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cnn1C ZINC000335268096 388449303 /nfs/dbraw/zinc/44/93/03/388449303.db2.gz ARGWFTDOWRTJLB-BETUJISGSA-N 2 0 248.374 1.160 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000336679939 388462744 /nfs/dbraw/zinc/46/27/44/388462744.db2.gz DJEFIDUKZNCRAF-ZDUSSCGKSA-N 3 0 241.423 1.825 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](CCn2cccn2)C[C@H]1C[NH3+] ZINC000397352822 388463668 /nfs/dbraw/zinc/46/36/68/388463668.db2.gz DCRHRIXNHKQUBQ-FRRDWIJNSA-N 2 0 236.363 1.188 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CCc1ccccc1 ZINC000336697827 388464536 /nfs/dbraw/zinc/46/45/36/388464536.db2.gz OKAOFSXMTQXYFI-LBPRGKRZSA-N 2 0 206.333 1.946 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@H](C)CCC[NH3+] ZINC000336711061 388466103 /nfs/dbraw/zinc/46/61/03/388466103.db2.gz UGCWMOYPYZWPOX-LBPRGKRZSA-N 3 0 215.385 1.435 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C2CCC2)CC[N@@H+]1C ZINC000316335377 388410355 /nfs/dbraw/zinc/41/03/55/388410355.db2.gz GWFZXTGRIIWQPO-WXHSDQCUSA-N 2 0 226.364 1.220 20 0 BDADRP COC[C@@H]([NH2+][C@@H](C)CCC[NH3+])C1CC1 ZINC000397231482 388411222 /nfs/dbraw/zinc/41/12/22/388411222.db2.gz GFAZESDHGDJWSN-GXSJLCMTSA-N 2 0 200.326 1.128 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H](O)C1CCC1 ZINC000316806820 388421511 /nfs/dbraw/zinc/42/15/11/388421511.db2.gz SQHCWBCXNUQSCH-CMPLNLGQSA-N 2 0 214.353 1.255 20 0 BDADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@H](CC(C)C)C1 ZINC000573213039 388432905 /nfs/dbraw/zinc/43/29/05/388432905.db2.gz TVNYUCQZQVWYAC-KGLIPLIRSA-N 2 0 242.407 1.715 20 0 BDADRP C[C@]1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCOC1 ZINC000339075574 388480224 /nfs/dbraw/zinc/48/02/24/388480224.db2.gz PKHIRWCOAYHIIC-BFHYXJOUSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@@H](O)CCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352921679 388541558 /nfs/dbraw/zinc/54/15/58/388541558.db2.gz KCPMUAHSLYFXKH-HABKJSAYSA-N 2 0 240.391 1.704 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1CCCC[NH2+]1 ZINC000397677116 388489639 /nfs/dbraw/zinc/48/96/39/388489639.db2.gz QSESBEREOPLHAC-WJTVCTBASA-N 2 0 208.349 1.905 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CSC[C@H]1C ZINC000397986557 388513561 /nfs/dbraw/zinc/51/35/61/388513561.db2.gz MRYKGCOTKFSGNP-MXWKQRLJSA-N 2 0 216.394 1.845 20 0 BDADRP COCCN1CC[C@@H]([NH2+][C@@H](C)CCC2CC2)C1 ZINC000346547369 388520589 /nfs/dbraw/zinc/52/05/89/388520589.db2.gz ANKXQZGEIFVCEE-GXTWGEPZSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000348257872 388527581 /nfs/dbraw/zinc/52/75/81/388527581.db2.gz TZCBCYMSDIAWRP-MELADBBJSA-N 2 0 240.391 1.467 20 0 BDADRP Cc1nnc(CN(C)CCCn2ccnc2C)o1 ZINC000136297497 388529240 /nfs/dbraw/zinc/52/92/40/388529240.db2.gz XDFUEISVSQWGBD-UHFFFAOYSA-N 2 0 249.318 1.405 20 0 BDADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000520837672 388537068 /nfs/dbraw/zinc/53/70/68/388537068.db2.gz DBIOITSCESYYQA-XUXIUFHCSA-N 3 0 239.407 1.611 20 0 BDADRP Cn1ccnc1Cn1ccnc1C1CC1 ZINC000530128817 388613014 /nfs/dbraw/zinc/61/30/14/388613014.db2.gz BIOBDAFTOABLQJ-UHFFFAOYSA-N 2 0 202.261 1.542 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](C[C@@H]2CCCC[C@@H]2O)C1 ZINC000328158937 388558718 /nfs/dbraw/zinc/55/87/18/388558718.db2.gz GTPSXPFKWPUOHR-IHRRRGAJSA-N 2 0 240.391 1.598 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000137438235 388560957 /nfs/dbraw/zinc/56/09/57/388560957.db2.gz UCEJQZSSGDBJCG-CHWSQXEVSA-N 2 0 248.374 1.346 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])C(C)C ZINC000362977210 388562769 /nfs/dbraw/zinc/56/27/69/388562769.db2.gz PLKXQJCIYVGDEK-JHJVBQTASA-N 2 0 228.380 1.765 20 0 BDADRP CO[C@@H](C[NH2+][C@@H](C)CCCC[NH3+])C(C)C ZINC000362978312 388563385 /nfs/dbraw/zinc/56/33/85/388563385.db2.gz YXKFMSJNELEXKV-RYUDHWBXSA-N 2 0 216.369 1.765 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000104181873 388575732 /nfs/dbraw/zinc/57/57/32/388575732.db2.gz DPDQJOSPGCBIAG-KGLIPLIRSA-N 2 0 239.407 1.530 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000248055837 388673269 /nfs/dbraw/zinc/67/32/69/388673269.db2.gz XHVBYHSOUQQFBS-HZSPNIEDSA-N 2 0 239.407 1.543 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2F)C1 ZINC000522014323 388674612 /nfs/dbraw/zinc/67/46/12/388674612.db2.gz RYMGLNWJUBUONJ-VPOLOUISSA-N 2 0 200.301 1.737 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cnc(N(C)C)s1 ZINC000521626690 388619833 /nfs/dbraw/zinc/61/98/33/388619833.db2.gz WBTODXFCPJCBOJ-BDAKNGLRSA-N 2 0 242.392 1.425 20 0 BDADRP C[C@H](N[C@H]1CC[NH2+]C12CCC2)c1c[nH+]ccc1N ZINC000530215213 388628573 /nfs/dbraw/zinc/62/85/73/388628573.db2.gz FKCTXUFDGQYPSP-GWCFXTLKSA-N 2 0 246.358 1.429 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1CC=CC1 ZINC000530214167 388629540 /nfs/dbraw/zinc/62/95/40/388629540.db2.gz BRFLHMQVDRHVAF-YPMHNXCESA-N 2 0 208.349 1.930 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@H]1C[C@H]1C ZINC000530216469 388630366 /nfs/dbraw/zinc/63/03/66/388630366.db2.gz PDVIIQJZFPALBC-WISYIIOYSA-N 2 0 208.349 1.905 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000530218172 388630735 /nfs/dbraw/zinc/63/07/35/388630735.db2.gz IAGCCCUMSMEUFG-FRRDWIJNSA-N 2 0 237.391 1.201 20 0 BDADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[NH3+])cn1 ZINC000530218107 388630920 /nfs/dbraw/zinc/63/09/20/388630920.db2.gz FDSDLAGQZBNMAC-VXGBXAGGSA-N 2 0 235.331 1.102 20 0 BDADRP c1cc2c(cc1NC1CC[NH2+]CC1)OCC[NH2+]C2 ZINC000530246925 388639512 /nfs/dbraw/zinc/63/95/12/388639512.db2.gz NBOAHEAQIBCUGT-UHFFFAOYSA-N 2 0 247.342 1.333 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000251469885 388644482 /nfs/dbraw/zinc/64/44/82/388644482.db2.gz VRLUZAMIMVJPDT-ZDEQEGDKSA-N 2 0 226.364 1.255 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCc2cnn(C)c2)CN1C1CC1 ZINC000127915396 388734391 /nfs/dbraw/zinc/73/43/91/388734391.db2.gz HJMUGFMABSOXCZ-YPMHNXCESA-N 2 0 248.374 1.177 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCN(C3CC3)C2)C1 ZINC000250660256 388738787 /nfs/dbraw/zinc/73/87/87/388738787.db2.gz POWJVUFHJJXYND-WOPDTQHZSA-N 2 0 223.364 1.083 20 0 BDADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@H]1CCOC1 ZINC000250832560 388741573 /nfs/dbraw/zinc/74/15/73/388741573.db2.gz JPXKDXXEUODRLV-NEPJUHHUSA-N 2 0 212.337 1.226 20 0 BDADRP C[C@H](CNC(=O)CCCC[NH+](C)C)C[NH+](C)C ZINC000553227857 388754820 /nfs/dbraw/zinc/75/48/20/388754820.db2.gz FCLGUHHAMCXZRX-GFCCVEGCSA-N 2 0 243.395 1.032 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCc2cccnc2)C1 ZINC000086403256 388687212 /nfs/dbraw/zinc/68/72/12/388687212.db2.gz JUEFAQSFQTXMDC-OLZOCXBDSA-N 2 0 219.332 1.484 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCCO)[C@@H](C)C1 ZINC000248655517 388688498 /nfs/dbraw/zinc/68/84/98/388688498.db2.gz BOWWEKUGLHGLBL-NWDGAFQWSA-N 2 0 214.353 1.079 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1cnn(C)c1 ZINC000423372222 388691631 /nfs/dbraw/zinc/69/16/31/388691631.db2.gz GXFAWKORQFTFES-XQQFMLRXSA-N 2 0 236.363 1.731 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)C1CCOCC1 ZINC000126398479 388694978 /nfs/dbraw/zinc/69/49/78/388694978.db2.gz IFNUWDJXZKCSCO-LBPRGKRZSA-N 2 0 240.391 1.733 20 0 BDADRP Cc1ccc(C[NH2+]CC2CC[NH+](C)CC2)nc1 ZINC000127024447 388711502 /nfs/dbraw/zinc/71/15/02/388711502.db2.gz JMZJFFFOMIUALI-UHFFFAOYSA-N 2 0 233.359 1.821 20 0 BDADRP C[C@@H](C[NH3+])CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000646872305 388719056 /nfs/dbraw/zinc/71/90/56/388719056.db2.gz OZYXLQUTSUYNRF-NSHDSACASA-N 2 0 249.358 1.073 20 0 BDADRP C[N@H+](CC[C@H]1CCCO1)C[C@H]1CCC[NH+](C)C1 ZINC000249499299 388724096 /nfs/dbraw/zinc/72/40/96/388724096.db2.gz WVBDELDAFGVLOG-UONOGXRCSA-N 2 0 240.391 1.829 20 0 BDADRP CC[C@H](O)C[N@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000229854738 388801174 /nfs/dbraw/zinc/80/11/74/388801174.db2.gz VXDYQOGBMBFZCG-TUAOUCFPSA-N 2 0 214.353 1.172 20 0 BDADRP CC[C@@H](C)C[NH2+]CCOCC[NH+](C)C ZINC000230005088 388809959 /nfs/dbraw/zinc/80/99/59/388809959.db2.gz SNISLUNOISTKEU-LLVKDONJSA-N 2 0 202.342 1.200 20 0 BDADRP C[C@H](O)CCC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000228027873 388765673 /nfs/dbraw/zinc/76/56/73/388765673.db2.gz XNKMSFVYEFTWKH-SRVKXCTJSA-N 2 0 214.353 1.220 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCCS1 ZINC000252710956 388773598 /nfs/dbraw/zinc/77/35/98/388773598.db2.gz IDGYWTNNEKRUAB-GRYCIOLGSA-N 2 0 228.405 1.812 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H]1CCCS1 ZINC000252710957 388773833 /nfs/dbraw/zinc/77/38/33/388773833.db2.gz IDGYWTNNEKRUAB-IJLUTSLNSA-N 2 0 228.405 1.812 20 0 BDADRP Cc1oncc1C[N@H+](C)CCCn1ccnc1 ZINC000129567383 388853456 /nfs/dbraw/zinc/85/34/56/388853456.db2.gz BZDGWDGALNGFJH-UHFFFAOYSA-N 2 0 234.303 1.702 20 0 BDADRP CC(C)[NH2+]CCCN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000564649664 388882106 /nfs/dbraw/zinc/88/21/06/388882106.db2.gz JVBIMJHBJHMBDO-NWDGAFQWSA-N 2 0 213.369 1.105 20 0 BDADRP C[C@H](O)C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000564854424 388893556 /nfs/dbraw/zinc/89/35/56/388893556.db2.gz MMOFVAWRDBXQFR-QWRGUYRKSA-N 2 0 216.369 1.323 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+][C@H]2C[C@@H]2C(F)F)C1 ZINC000565430175 388944889 /nfs/dbraw/zinc/94/48/89/388944889.db2.gz CQTFCUVBAVTZIH-KZVJFYERSA-N 2 0 204.264 1.500 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H]2F)C1 ZINC000565549778 388953959 /nfs/dbraw/zinc/95/39/59/388953959.db2.gz RYMGLNWJUBUONJ-MMWGEVLESA-N 2 0 200.301 1.737 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H]2F)C1 ZINC000565549779 388954437 /nfs/dbraw/zinc/95/44/37/388954437.db2.gz RYMGLNWJUBUONJ-YTWAJWBKSA-N 2 0 200.301 1.737 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1CO ZINC000565945115 388980357 /nfs/dbraw/zinc/98/03/57/388980357.db2.gz RZXAZAQNKIVZNA-WFASDCNBSA-N 2 0 248.370 1.657 20 0 BDADRP COC[C@H]([NH2+]CC1CC[NH2+]CC1)C1CCCC1 ZINC000566088069 388986389 /nfs/dbraw/zinc/98/63/89/388986389.db2.gz VSEBHGNMSJYYSG-AWEZNQCLSA-N 2 0 240.391 1.781 20 0 BDADRP CC[C@@H](NC[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCC[NH2+]1 ZINC000566089524 388986715 /nfs/dbraw/zinc/98/67/15/388986715.db2.gz KXCNXVKAJWESCN-MJBXVCDLSA-N 2 0 239.407 1.448 20 0 BDADRP COCc1ccc(C[NH2+]CCCC[NH+](C)C)o1 ZINC000268789959 389004720 /nfs/dbraw/zinc/00/47/20/389004720.db2.gz LRAOWWKGSGXMKN-UHFFFAOYSA-N 2 0 240.347 1.857 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000224074455 535473751 /nfs/dbraw/zinc/47/37/51/535473751.db2.gz RWFSUQFGAOUNBN-GXTWGEPZSA-N 2 0 240.391 1.611 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@@H]2CCC[C@H](O)C2)CC1 ZINC000224074506 535473932 /nfs/dbraw/zinc/47/39/32/535473932.db2.gz RWFSUQFGAOUNBN-OCCSQVGLSA-N 2 0 240.391 1.611 20 0 BDADRP C([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCSC1 ZINC000224451240 533370764 /nfs/dbraw/zinc/37/07/64/533370764.db2.gz VBKYCHRLJVRKNW-YNEHKIRRSA-N 2 0 240.416 1.956 20 0 BDADRP C[C@@H](NCC[NH+]1CCC(C)CC1)[C@H]1CCC[NH2+]1 ZINC000400764523 533393490 /nfs/dbraw/zinc/39/34/90/533393490.db2.gz YZOCQUYGBWYLQV-ZIAGYGMSSA-N 2 0 239.407 1.448 20 0 BDADRP Cc1c[nH+]ccc1N1CCC([C@@H](C)[NH3+])CC1 ZINC000070045237 132229858 /nfs/dbraw/zinc/22/98/58/132229858.db2.gz NAEKSPXSKBCLOV-LLVKDONJSA-N 2 0 219.332 1.954 20 0 BDADRP C[N@H+](CCO)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367884184 132282578 /nfs/dbraw/zinc/28/25/78/132282578.db2.gz FVKVDDDGCDQAQM-UHFFFAOYSA-N 2 0 249.358 1.222 20 0 BDADRP OCCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000034978940 132337392 /nfs/dbraw/zinc/33/73/92/132337392.db2.gz XAVXTSQMTOKKJI-UHFFFAOYSA-N 2 0 235.331 1.022 20 0 BDADRP CC[C@@H](CO)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000036960342 132343109 /nfs/dbraw/zinc/34/31/09/132343109.db2.gz WLXKMTXACMMUOK-LBPRGKRZSA-N 2 0 249.358 1.411 20 0 BDADRP Cc1cc(N2CCC[C@H](C[NH3+])C2)cc[nH+]1 ZINC000107198584 132365549 /nfs/dbraw/zinc/36/55/49/132365549.db2.gz UTVBGNLESXVGQN-LLVKDONJSA-N 2 0 205.305 1.565 20 0 BDADRP [NH3+]C1CCC([N@@H+]2CCC[C@@]3(CCOC3)C2)CC1 ZINC000335525354 133875095 /nfs/dbraw/zinc/87/50/95/133875095.db2.gz KJKIATILTYDRGA-JXQTWKCFSA-N 2 0 238.375 1.759 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)CN1CC[C@H]1CCC[NH+]1C ZINC000351925671 134007377 /nfs/dbraw/zinc/00/73/77/134007377.db2.gz FHQYIAVJIWIBDQ-MGPQQGTHSA-N 2 0 239.407 1.495 20 0 BDADRP C[C@H]1CC[N@H+](Cc2cccnc2)C[C@@H]1C[NH3+] ZINC000167610309 134152837 /nfs/dbraw/zinc/15/28/37/134152837.db2.gz CLQLOTDHSXUUAG-AAEUAGOBSA-N 2 0 219.332 1.498 20 0 BDADRP C(C[NH2+]C1CCCCCC1)CN1CC[NH2+]CC1 ZINC000168071200 134155879 /nfs/dbraw/zinc/15/58/79/134155879.db2.gz JVQYZGFKULVXNP-UHFFFAOYSA-N 2 0 239.407 1.594 20 0 BDADRP CCN1C[C@H](C)[C@H]([NH2+]C[C@@H]2CCOC[C@@H]2C)C1 ZINC000353042007 134159768 /nfs/dbraw/zinc/15/97/68/134159768.db2.gz ZHHVFDKSYXMYSU-XDQVBPFNSA-N 2 0 240.391 1.589 20 0 BDADRP CCC[N@H+](CCO)CC[C@H]1CCC[NH+]1C ZINC000305707178 134160850 /nfs/dbraw/zinc/16/08/50/134160850.db2.gz YVGWAXIDRBFTEG-GFCCVEGCSA-N 2 0 214.353 1.175 20 0 BDADRP C[C@H](c1cccc(Cl)c1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000217808214 134250608 /nfs/dbraw/zinc/25/06/08/134250608.db2.gz DXDRYDXWHVCDKM-SKDRFNHKSA-N 2 0 242.750 1.652 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CCOCC[NH+](C)C)[C@@H](C)C1 ZINC000219322743 134281282 /nfs/dbraw/zinc/28/12/82/134281282.db2.gz OOEVUCUEQCJXDK-RDBSUJKOSA-N 2 0 242.407 1.979 20 0 BDADRP CC[C@](C)(CCO)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000220390396 134306362 /nfs/dbraw/zinc/30/63/62/134306362.db2.gz LAHGVJFWPFSMAO-NWDGAFQWSA-N 2 0 214.353 1.127 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000178411521 134310132 /nfs/dbraw/zinc/31/01/32/134310132.db2.gz GCYXOIGVEQDUSM-ZYHUDNBSSA-N 2 0 247.342 1.644 20 0 BDADRP c1cc(C2CC[NH+](CC3CC[NH2+]CC3)CC2)n[nH]1 ZINC000178979898 134313883 /nfs/dbraw/zinc/31/38/83/134313883.db2.gz AYDOZKIRBCHKBK-UHFFFAOYSA-N 2 0 248.374 1.589 20 0 BDADRP Cc1cncc(CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000222600951 134333844 /nfs/dbraw/zinc/33/38/44/134333844.db2.gz BPAMTDSLHIDZIM-GXTWGEPZSA-N 2 0 233.359 1.820 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H](C)O)[C@@H](C)C1 ZINC000223584074 134340484 /nfs/dbraw/zinc/34/04/84/134340484.db2.gz QZPAFLRMJJOENJ-TUAOUCFPSA-N 2 0 214.353 1.077 20 0 BDADRP [NH3+]CCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000224130150 134341767 /nfs/dbraw/zinc/34/17/67/134341767.db2.gz ITWKJRLLQNGQDL-HZSPNIEDSA-N 3 0 239.407 1.626 20 0 BDADRP CO[C@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000223925947 134343566 /nfs/dbraw/zinc/34/35/66/134343566.db2.gz SPEJUXBDBMSOIX-IRCOFANPSA-N 2 0 214.353 1.340 20 0 BDADRP C[NH+](C)CC(C)(C)C[NH2+]C[C@H]1CCSC1 ZINC000224278032 134345340 /nfs/dbraw/zinc/34/53/40/134345340.db2.gz RYWMVHJNRZWKND-LLVKDONJSA-N 2 0 230.421 1.917 20 0 BDADRP CCC[NH+]1CCC([NH2+]CC(C)(C)CCO)CC1 ZINC000224381229 134346317 /nfs/dbraw/zinc/34/63/17/134346317.db2.gz SRMHVASBFGOGCN-UHFFFAOYSA-N 2 0 242.407 1.859 20 0 BDADRP C[NH2+]CCC[N@H+](C)C[C@@H]1CCSC1 ZINC000224620196 134349499 /nfs/dbraw/zinc/34/94/99/134349499.db2.gz GTUGJRDUHMXNIE-JTQLQIEISA-N 2 0 202.367 1.281 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+]C2CCC(O)CC2)CC1 ZINC000226343811 134360997 /nfs/dbraw/zinc/36/09/97/134360997.db2.gz MOZREDRYIAITFN-UHFFFAOYSA-N 2 0 240.391 1.611 20 0 BDADRP CCCn1cc(C[NH2+]CCCC[NH+](C)C)cn1 ZINC000227285855 134379824 /nfs/dbraw/zinc/37/98/24/134379824.db2.gz PMJOHLXWLGFVNH-UHFFFAOYSA-N 2 0 238.379 1.725 20 0 BDADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000227498815 134381190 /nfs/dbraw/zinc/38/11/90/134381190.db2.gz ATPNUPKSMCLMFD-OLZOCXBDSA-N 2 0 240.391 1.733 20 0 BDADRP CCCC[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000050888398 134668328 /nfs/dbraw/zinc/66/83/28/134668328.db2.gz UEGQJLQBEKHZJM-STQMWFEESA-N 2 0 228.380 1.611 20 0 BDADRP COc1cccc(C[NH2+][C@H](C)CC[NH3+])c1OC ZINC000136135778 134764732 /nfs/dbraw/zinc/76/47/32/134764732.db2.gz CBAPOAMFVAJBRM-SNVBAGLBSA-N 2 0 238.331 1.531 20 0 BDADRP Cc1c[nH+]ccc1NCC[C@H]1CCC[NH2+]1 ZINC000159286095 134768660 /nfs/dbraw/zinc/76/86/60/134768660.db2.gz GSSSEYIZSVOQBA-LLVKDONJSA-N 2 0 205.305 1.944 20 0 BDADRP [NH3+]CCCC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000236208474 134822914 /nfs/dbraw/zinc/82/29/14/134822914.db2.gz AFBWHNVJZWDHOV-UHFFFAOYSA-N 2 0 247.386 1.984 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCCOC1 ZINC000071012017 135017119 /nfs/dbraw/zinc/01/71/19/135017119.db2.gz CAXILOIFHYMSSX-LPWJVIDDSA-N 2 0 226.364 1.484 20 0 BDADRP C[NH+](C)CCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250367075 135053011 /nfs/dbraw/zinc/05/30/11/135053011.db2.gz YOGFCDWFMPLNAP-BFHYXJOUSA-N 2 0 239.407 1.448 20 0 BDADRP C[NH+](C)C(C)(C)CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250681776 135057933 /nfs/dbraw/zinc/05/79/33/135057933.db2.gz ACADFWCLNGWPQD-OLZOCXBDSA-N 2 0 239.407 1.543 20 0 BDADRP COC[C@H](C)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000251080347 135063039 /nfs/dbraw/zinc/06/30/39/135063039.db2.gz HMSPJKQFWJVXSM-WOPDTQHZSA-N 2 0 214.353 1.376 20 0 BDADRP C[C@H](CO)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000251113394 135064363 /nfs/dbraw/zinc/06/43/63/135064363.db2.gz PJLBJCAMTRHNSM-IGQOVBAYSA-N 2 0 240.391 1.515 20 0 BDADRP C[C@H](O)CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000251228821 135065801 /nfs/dbraw/zinc/06/58/01/135065801.db2.gz PUHGDRDOVSKPQF-XQQFMLRXSA-N 2 0 226.364 1.173 20 0 BDADRP C[C@H](CCO)[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000251207047 135066420 /nfs/dbraw/zinc/06/64/20/135066420.db2.gz LSFZVQPSOKPXHW-ZOBORPQBSA-N 2 0 240.391 1.658 20 0 BDADRP C[C@H](CCO)[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000251243117 135067276 /nfs/dbraw/zinc/06/72/76/135067276.db2.gz SMIMYGBSKZNCEU-JHJVBQTASA-N 2 0 228.380 1.658 20 0 BDADRP CO[C@@H]1C[N@H+](CCn2ccnc2)CC[C@H]1C ZINC000251992978 135082316 /nfs/dbraw/zinc/08/23/16/135082316.db2.gz WBDVHGPDFVMIAW-VXGBXAGGSA-N 2 0 223.320 1.240 20 0 BDADRP Cc1ncsc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000086404152 135083388 /nfs/dbraw/zinc/08/33/88/135083388.db2.gz JSGQWKDHEXOSAA-UWVGGRQHSA-N 2 0 225.361 1.811 20 0 BDADRP CC(C)C[N@H+](CCOCC[NH3+])C(C)C ZINC000086435546 135084160 /nfs/dbraw/zinc/08/41/60/135084160.db2.gz YTRXLJQTYFYUEB-UHFFFAOYSA-N 2 0 202.342 1.328 20 0 BDADRP C[C@H](CCO)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000252511890 135092732 /nfs/dbraw/zinc/09/27/32/135092732.db2.gz HSPHTYATIMKAGK-FVCCEPFGSA-N 2 0 228.380 1.323 20 0 BDADRP [NH3+]C1CCC([NH2+]C[C@H]2CCCCO2)CC1 ZINC000086729425 135094977 /nfs/dbraw/zinc/09/49/77/135094977.db2.gz AYISTHOHEUQPEO-HTAVTVPLSA-N 2 0 212.337 1.415 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000252682973 135096133 /nfs/dbraw/zinc/09/61/33/135096133.db2.gz CZVKNPDUXLJVBD-LOWVWBTDSA-N 2 0 224.348 1.238 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@H](C)O)[C@@H](C)C1 ZINC000252714100 135100255 /nfs/dbraw/zinc/10/02/55/135100255.db2.gz QZPAFLRMJJOENJ-SRVKXCTJSA-N 2 0 214.353 1.077 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252712776 135100362 /nfs/dbraw/zinc/10/03/62/135100362.db2.gz NIKRNRJHNCBCIJ-UPJWGTAASA-N 2 0 228.380 1.467 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000252712775 135100550 /nfs/dbraw/zinc/10/05/50/135100550.db2.gz NIKRNRJHNCBCIJ-AGIUHOORSA-N 2 0 228.380 1.467 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H]1CCCOC1 ZINC000252711797 135100937 /nfs/dbraw/zinc/10/09/37/135100937.db2.gz KQAXJRZDJVRVHX-JHJVBQTASA-N 2 0 226.364 1.343 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000258842937 135104198 /nfs/dbraw/zinc/10/41/98/135104198.db2.gz WLXUCKXAMVTYSL-JTQLQIEISA-N 2 0 236.315 1.142 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(C)COC1 ZINC000087197225 135112132 /nfs/dbraw/zinc/11/21/32/135112132.db2.gz NOTFGIYFFXMXGK-WOPDTQHZSA-N 2 0 226.364 1.341 20 0 BDADRP CCOCCC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252856616 135113745 /nfs/dbraw/zinc/11/37/45/135113745.db2.gz KXTCLVAWAKZZGX-AVGNSLFASA-N 2 0 226.364 1.472 20 0 BDADRP CSC[C@H](C)[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000252917612 135116741 /nfs/dbraw/zinc/11/67/41/135116741.db2.gz XLVXGWUHFDDXOW-LPEHRKFASA-N 2 0 202.367 1.455 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCCCO ZINC000253336480 135126384 /nfs/dbraw/zinc/12/63/84/135126384.db2.gz YKPGEGGCBLIIBH-NWDGAFQWSA-N 2 0 214.353 1.079 20 0 BDADRP C[N@H+](CCOCC1CC1)[C@@H]1CCC[NH2+]CC1 ZINC000087400253 135128689 /nfs/dbraw/zinc/12/86/89/135128689.db2.gz YAAUPFOQKLCWGV-CYBMUJFWSA-N 2 0 226.364 1.487 20 0 BDADRP C[N@H+](CCOCC1CC1)C[C@H]1CCC[NH2+]C1 ZINC000087399717 135129030 /nfs/dbraw/zinc/12/90/30/135129030.db2.gz VPDAHDMVVQVCME-ZDUSSCGKSA-N 2 0 226.364 1.344 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]Cc1ccc(F)c(F)c1 ZINC000258756862 135134200 /nfs/dbraw/zinc/13/42/00/135134200.db2.gz MPTOUABVRCHBAS-QMMMGPOBSA-N 2 0 214.259 1.649 20 0 BDADRP C([C@H]1CCCOC1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257673714 135138530 /nfs/dbraw/zinc/13/85/30/135138530.db2.gz JEOCGPBGTNUWTB-KGLIPLIRSA-N 2 0 238.375 1.489 20 0 BDADRP Cc1noc(C)c1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257654709 135138723 /nfs/dbraw/zinc/13/87/23/135138723.db2.gz FAICCJGJKUSOCJ-UHFFFAOYSA-N 2 0 249.358 1.867 20 0 BDADRP Cc1nn(C)cc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257741650 135140659 /nfs/dbraw/zinc/14/06/59/135140659.db2.gz ZAELQRPRSRJINM-UHFFFAOYSA-N 2 0 248.374 1.304 20 0 BDADRP C([C@@H]1CCCOC1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257741631 135140981 /nfs/dbraw/zinc/14/09/81/135140981.db2.gz YZNVDTSEKMVKHY-QWHCGFSZSA-N 2 0 224.348 1.098 20 0 BDADRP Cc1cc(C)c(C[N@H+](C)C[C@@H](O)C[NH3+])c(C)c1 ZINC000259221199 135141933 /nfs/dbraw/zinc/14/19/33/135141933.db2.gz XOJFJHJZEZSKDL-ZDUSSCGKSA-N 2 0 236.359 1.363 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1cn[nH]c1 ZINC000261529714 135156905 /nfs/dbraw/zinc/15/69/05/135156905.db2.gz BLSFTKFCDGIVEZ-LSJOCFKGSA-N 2 0 208.309 1.330 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCSC1 ZINC000261530377 135157365 /nfs/dbraw/zinc/15/73/65/135157365.db2.gz ZDILWBHXJZHVMM-LPEHRKFASA-N 2 0 200.351 1.209 20 0 BDADRP C[C@@H]1C[N@H+](CCOCC[NH3+])C(C)(C)C1 ZINC000261531281 135159702 /nfs/dbraw/zinc/15/97/02/135159702.db2.gz FZIDKLWBWMDJDM-JTQLQIEISA-N 2 0 200.326 1.082 20 0 BDADRP COc1cccc(C[N@H+](C)C2CC([NH3+])C2)c1 ZINC000087653308 135161319 /nfs/dbraw/zinc/16/13/19/135161319.db2.gz JDSUHXMVPARIEC-UHFFFAOYSA-N 2 0 220.316 1.617 20 0 BDADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1(CO)CC1 ZINC000261532411 135162260 /nfs/dbraw/zinc/16/22/60/135162260.db2.gz BCXIEJMTHOKLGH-RYUDHWBXSA-N 2 0 226.364 1.412 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCS1 ZINC000087667676 135162259 /nfs/dbraw/zinc/16/22/59/135162259.db2.gz LYHXPYPYOBLPQZ-SRVKXCTJSA-N 2 0 228.405 1.989 20 0 BDADRP CO[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CC[C@@H]1C ZINC000261532429 135162495 /nfs/dbraw/zinc/16/24/95/135162495.db2.gz BIKCCUGPRYFJRQ-YNEHKIRRSA-N 2 0 226.364 1.343 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@@H]2CCOC2)CC[C@H]1[NH3+] ZINC000261532135 135162668 /nfs/dbraw/zinc/16/26/68/135162668.db2.gz JHCGBMNTONWLLS-IJLUTSLNSA-N 2 0 212.337 1.082 20 0 BDADRP CO[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CC[C@H]1C ZINC000261532427 135162865 /nfs/dbraw/zinc/16/28/65/135162865.db2.gz BIKCCUGPRYFJRQ-FRRDWIJNSA-N 2 0 226.364 1.343 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@H]3CCSC3)C[C@H]12 ZINC000261532771 135163304 /nfs/dbraw/zinc/16/33/04/135163304.db2.gz KDBJUIBLSMESAE-WISYIIOYSA-N 2 0 226.389 1.409 20 0 BDADRP C[N@H+](CC[C@@H]1CCCO1)C[C@H]1CCC[NH2+]C1 ZINC000261533689 135165657 /nfs/dbraw/zinc/16/56/57/135165657.db2.gz KAQNKDPROJECQL-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP CC1(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)CCC1 ZINC000261534692 135168195 /nfs/dbraw/zinc/16/81/95/135168195.db2.gz MXSSEKWTNDCVIZ-RYUDHWBXSA-N 2 0 208.349 1.860 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCOC1 ZINC000087783690 135169706 /nfs/dbraw/zinc/16/97/06/135169706.db2.gz NIMMBYUPDUNYNV-KKOKHZNYSA-N 2 0 212.337 1.094 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@H]1C[NH3+])C1CCOCC1 ZINC000261535433 135169917 /nfs/dbraw/zinc/16/99/17/135169917.db2.gz YVGZDIXEOAOPIS-DRZSPHRISA-N 2 0 226.364 1.519 20 0 BDADRP c1csc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261535698 135170186 /nfs/dbraw/zinc/17/01/86/135170186.db2.gz PBIOFFALZDHCPV-WDEREUQCSA-N 2 0 222.357 1.789 20 0 BDADRP Cc1[nH+]ccc(N2CC[NH2+]C[C@@H]2C)c1Cl ZINC000261536147 135171285 /nfs/dbraw/zinc/17/12/85/135171285.db2.gz QNUJNVPJLRSMKD-QMMMGPOBSA-N 2 0 225.723 1.842 20 0 BDADRP Cc1noc(C)c1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000261538150 135175934 /nfs/dbraw/zinc/17/59/34/135175934.db2.gz JMDYZTNZTCAARQ-LBPRGKRZSA-N 2 0 237.347 1.771 20 0 BDADRP COC(=O)C(C)(C)C[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000261540964 135180171 /nfs/dbraw/zinc/18/01/71/135180171.db2.gz ASKKACRIPZFZER-MNOVXSKESA-N 2 0 242.363 1.306 20 0 BDADRP COC[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000261543239 135183829 /nfs/dbraw/zinc/18/38/29/135183829.db2.gz RYLBSQSQVIDPHS-MELADBBJSA-N 2 0 240.391 1.733 20 0 BDADRP Cc1cnn(CC[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000261544644 135185852 /nfs/dbraw/zinc/18/58/52/135185852.db2.gz FCKHJUCXVCTTDL-ZDUSSCGKSA-N 2 0 236.363 1.252 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCOCC2CC2)C1 ZINC000261551045 135190498 /nfs/dbraw/zinc/19/04/98/135190498.db2.gz PZWIUMPATRHCCO-ZYHUDNBSSA-N 2 0 212.337 1.082 20 0 BDADRP Cc1nccc(N[C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000084212751 135192028 /nfs/dbraw/zinc/19/20/28/135192028.db2.gz MNVFKNUKWKUXQP-VHSXEESVSA-N 2 0 206.293 1.324 20 0 BDADRP Cc1nccc(N[C@H]2CCC[C@H]2C[NH3+])n1 ZINC000084212752 135192142 /nfs/dbraw/zinc/19/21/42/135192142.db2.gz MNVFKNUKWKUXQP-UWVGGRQHSA-N 2 0 206.293 1.324 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1NCC[NH+]1CCCC1 ZINC000084215695 135192307 /nfs/dbraw/zinc/19/23/07/135192307.db2.gz MWZIATKQBGNOIL-OLZOCXBDSA-N 2 0 225.380 1.189 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCOCC(F)(F)F ZINC000084222084 135192668 /nfs/dbraw/zinc/19/26/68/135192668.db2.gz LUSSOFCNCGCDJO-DTWKUNHWSA-N 2 0 240.269 1.282 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCc1ccccc1 ZINC000084217635 135192901 /nfs/dbraw/zinc/19/29/01/135192901.db2.gz MJWVYQZVSVNYLY-KBPBESRZSA-N 2 0 218.344 1.946 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC1CCOCC1 ZINC000084216858 135193267 /nfs/dbraw/zinc/19/32/67/135193267.db2.gz XLHLPRFAKBDXPV-STQMWFEESA-N 2 0 226.364 1.520 20 0 BDADRP Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000261554640 135194692 /nfs/dbraw/zinc/19/46/92/135194692.db2.gz BAAHUFOLXLNSFE-SDDRHHMPSA-N 2 0 247.342 1.265 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCOc3ccccc3)C[C@@H]12 ZINC000261558205 135198485 /nfs/dbraw/zinc/19/84/85/135198485.db2.gz CZMBIXKLBILUPF-BPLDGKMQSA-N 2 0 246.354 1.735 20 0 BDADRP C[C@@H]1CCSCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261557881 135198740 /nfs/dbraw/zinc/19/87/40/135198740.db2.gz XTXLFYRUZHDCGQ-VXGBXAGGSA-N 2 0 228.405 1.813 20 0 BDADRP COCC1(C[NH2+]C2CCC([NH3+])CC2)CCC1 ZINC000261561158 135201644 /nfs/dbraw/zinc/20/16/44/135201644.db2.gz AKIPMAYYROPLSX-UHFFFAOYSA-N 2 0 226.364 1.663 20 0 BDADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC000261560930 135201719 /nfs/dbraw/zinc/20/17/19/135201719.db2.gz AJHOVJJGRTYPPN-GWCFXTLKSA-N 2 0 222.307 1.913 20 0 BDADRP Cc1nc(C)c(C[NH2+]C[C@]2(C)CC[NH2+]C2)s1 ZINC000261561485 135202616 /nfs/dbraw/zinc/20/26/16/135202616.db2.gz APDDIXBIPPVLLW-GFCCVEGCSA-N 2 0 239.388 1.849 20 0 BDADRP Cc1cnn(CCN2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000261562280 135203825 /nfs/dbraw/zinc/20/38/25/135203825.db2.gz WFAVOEZBCUHRKN-OLZOCXBDSA-N 2 0 234.347 1.018 20 0 BDADRP CC(C)n1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)n1 ZINC000261563073 135205502 /nfs/dbraw/zinc/20/55/02/135205502.db2.gz GVCUFMKSVMLKON-UBHSHLNASA-N 2 0 248.374 1.633 20 0 BDADRP COCC1(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])CCC1 ZINC000261565081 135206848 /nfs/dbraw/zinc/20/68/48/135206848.db2.gz YESHHEZOPFKLMZ-OLZOCXBDSA-N 2 0 240.391 1.910 20 0 BDADRP CCCn1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cn1 ZINC000261564760 135206914 /nfs/dbraw/zinc/20/69/14/135206914.db2.gz HMELBCAFWBOORT-BFHYXJOUSA-N 2 0 248.374 1.462 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@H]12 ZINC000261570961 135213030 /nfs/dbraw/zinc/21/30/30/135213030.db2.gz HFGJOFGGQVYRRN-FVCCEPFGSA-N 2 0 224.348 1.082 20 0 BDADRP Cc1ccc(F)cc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000164138663 135214041 /nfs/dbraw/zinc/21/40/41/135214041.db2.gz ZXMUGHBCPZRKEZ-LLVKDONJSA-N 2 0 222.307 1.915 20 0 BDADRP c1cc(C[NH2+]CC[C@H]2CC[NH2+]C2)cs1 ZINC000084385872 135218389 /nfs/dbraw/zinc/21/83/89/135218389.db2.gz BXCKAODHFWVIFE-SNVBAGLBSA-N 2 0 210.346 1.837 20 0 BDADRP Cc1c[nH+]ccc1N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261578642 135219870 /nfs/dbraw/zinc/21/98/70/135219870.db2.gz LWRFDOADPFZJJK-NEPJUHHUSA-N 2 0 217.316 1.436 20 0 BDADRP Cc1ncccc1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000261580661 135221348 /nfs/dbraw/zinc/22/13/48/135221348.db2.gz NBIQFEDYPOCWMC-ZYHUDNBSSA-N 2 0 219.332 1.559 20 0 BDADRP C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CCN ZINC000261582064 135222096 /nfs/dbraw/zinc/22/20/96/135222096.db2.gz OBJHDRCSEFLTOG-TZMCWYRMSA-N 2 0 218.344 1.898 20 0 BDADRP C[C@H]1C[C@@H](N(C)CC(C)(C)[NH3+])CC[N@@H+]1C ZINC000261584834 135226281 /nfs/dbraw/zinc/22/62/81/135226281.db2.gz QBGLPVOWVIQHCW-QWRGUYRKSA-N 2 0 213.369 1.138 20 0 BDADRP Nc1cccc(C[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000261586520 135227758 /nfs/dbraw/zinc/22/77/58/135227758.db2.gz RDJOZSDHYRJWRQ-LLVKDONJSA-N 2 0 205.305 1.049 20 0 BDADRP C[C@H](O)C[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261591163 135231808 /nfs/dbraw/zinc/23/18/08/135231808.db2.gz VCQZCABLUQSLFG-XQQFMLRXSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000261591084 135231820 /nfs/dbraw/zinc/23/18/20/135231820.db2.gz UYGCTBQJFWYTSU-VOAKCMCISA-N 2 0 226.364 1.519 20 0 BDADRP C(C1CCOCC1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261591761 135232842 /nfs/dbraw/zinc/23/28/42/135232842.db2.gz VOURXFQZOGCXSH-OLZOCXBDSA-N 2 0 224.348 1.097 20 0 BDADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC3CCOCC3)C[C@@H]12 ZINC000261595255 135235391 /nfs/dbraw/zinc/23/53/91/135235391.db2.gz XZORXWRVIICXJB-YNEHKIRRSA-N 2 0 224.348 1.082 20 0 BDADRP Cc1nc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cs1 ZINC000261598413 135236609 /nfs/dbraw/zinc/23/66/09/135236609.db2.gz ZMXLVMFALZEULS-ZMLRMANQSA-N 2 0 237.372 1.621 20 0 BDADRP Cc1nccn1CC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000261547812 135241105 /nfs/dbraw/zinc/24/11/05/135241105.db2.gz IOYNKAGDZPKHKC-QWHCGFSZSA-N 2 0 236.363 1.299 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000261548148 135241804 /nfs/dbraw/zinc/24/18/04/135241804.db2.gz NEDOVMMMDWMHOA-VXGBXAGGSA-N 2 0 208.349 1.718 20 0 BDADRP CC1(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)CCC1 ZINC000261548232 135242145 /nfs/dbraw/zinc/24/21/45/135242145.db2.gz JDRDJBIMYGLKSF-CYBMUJFWSA-N 2 0 237.391 1.156 20 0 BDADRP CCC[C@@H]1CNCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261683606 135246266 /nfs/dbraw/zinc/24/62/66/135246266.db2.gz INTWQAPYQPDGSV-CYBMUJFWSA-N 2 0 225.380 1.060 20 0 BDADRP O=c1[nH]ccc2c1C[N@H+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000261694753 135246505 /nfs/dbraw/zinc/24/65/05/135246505.db2.gz HSRMEANEVYOEHL-LLVKDONJSA-N 2 0 247.342 1.145 20 0 BDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000261706996 135247100 /nfs/dbraw/zinc/24/71/00/135247100.db2.gz JTHAKSXQUPLSDV-MFKMUULPSA-N 2 0 247.342 1.075 20 0 BDADRP CN(C[C@H]1CCC[N@H+](C)C1)C[C@]1(C)CC[NH2+]C1 ZINC000261751322 135250095 /nfs/dbraw/zinc/25/00/95/135250095.db2.gz JWAALBZVBRQNBA-UONOGXRCSA-N 3 0 239.407 1.260 20 0 BDADRP C[N@H+](CCOc1ccccc1)C[C@@]1(C)CC[NH2+]C1 ZINC000261765658 135250755 /nfs/dbraw/zinc/25/07/55/135250755.db2.gz LXPJTSFKDPXDHA-HNNXBMFYSA-N 2 0 248.370 1.997 20 0 BDADRP C[NH+](C)[C@@H]1CCCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261775993 135251759 /nfs/dbraw/zinc/25/17/59/135251759.db2.gz FBKRDWNHVOSYDJ-ZIAGYGMSSA-N 2 0 239.407 1.402 20 0 BDADRP CC[N@H+](CC[C@@H]1CCOC1)[C@@H]1CCC[NH2+]CC1 ZINC000261782121 135252945 /nfs/dbraw/zinc/25/29/45/135252945.db2.gz FLQVKWLWDABNJI-ZIAGYGMSSA-N 2 0 240.391 1.877 20 0 BDADRP c1nc(C2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)c[nH]1 ZINC000261790366 135253377 /nfs/dbraw/zinc/25/33/77/135253377.db2.gz GDWJZDZXOZVHFF-GFCCVEGCSA-N 2 0 248.374 1.589 20 0 BDADRP C[NH+](C)[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)CC1 ZINC000261792182 135253917 /nfs/dbraw/zinc/25/39/17/135253917.db2.gz GFADQDBZCJSNJT-CQSZACIVSA-N 3 0 239.407 1.402 20 0 BDADRP CC(=O)NC1CCC([N@H+](C)CC(C)(C)N)CC1 ZINC000261807627 135254624 /nfs/dbraw/zinc/25/46/24/135254624.db2.gz HMOIBLSLGSRGJC-UHFFFAOYSA-N 2 0 241.379 1.103 20 0 BDADRP C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261831540 135256188 /nfs/dbraw/zinc/25/61/88/135256188.db2.gz JCDBMTOAFZEQDD-SYQHCUMBSA-N 2 0 240.391 1.467 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000261827443 135256518 /nfs/dbraw/zinc/25/65/18/135256518.db2.gz IVWQYMLMGCGOSX-OLZOCXBDSA-N 2 0 226.364 1.344 20 0 BDADRP C[C@@]1(C[N@@H+]2CC[C@]3(CCOC3)C2)CC[NH2+]C1 ZINC000261882890 135259754 /nfs/dbraw/zinc/25/97/54/135259754.db2.gz RINBNJCQOCZPQN-OLZOCXBDSA-N 2 0 224.348 1.098 20 0 BDADRP C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261933384 135264664 /nfs/dbraw/zinc/26/46/64/135264664.db2.gz LUTBEAOXIUMUMC-BZPMIXESSA-N 2 0 240.391 1.467 20 0 BDADRP CC(C)[C@@H]1CN(C[C@H]2CCC[NH2+]C2)CC[N@@H+]1C ZINC000261936998 135264699 /nfs/dbraw/zinc/26/46/99/135264699.db2.gz MFDGBZADELVYAV-KBPBESRZSA-N 2 0 239.407 1.258 20 0 BDADRP C[N@H+](CC[C@@H]1CCCO1)C[C@]1(C)CC[NH2+]C1 ZINC000261948454 135265127 /nfs/dbraw/zinc/26/51/27/135265127.db2.gz FQPVHTSTAKKGPG-QWHCGFSZSA-N 2 0 226.364 1.487 20 0 BDADRP CCC(CC)(C[NH3+])NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261961401 135267296 /nfs/dbraw/zinc/26/72/96/135267296.db2.gz KHZIVXPRCYLWPJ-WDEREUQCSA-N 2 0 241.379 1.138 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1cnc(N)s1 ZINC000262030812 135274292 /nfs/dbraw/zinc/27/42/92/135274292.db2.gz OAEVADBUUXPCFS-SCZZXKLOSA-N 2 0 240.376 1.427 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC[C@H]2CCOC2)C1 ZINC000262046559 135275861 /nfs/dbraw/zinc/27/58/61/135275861.db2.gz YZBGGKAOJAXBEZ-AVGNSLFASA-N 2 0 226.364 1.472 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC[C@H]2CCOC2)C1 ZINC000262046562 135276221 /nfs/dbraw/zinc/27/62/21/135276221.db2.gz YZBGGKAOJAXBEZ-RWMBFGLXSA-N 2 0 226.364 1.472 20 0 BDADRP C[C@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@H](C2CC2)O1 ZINC000262054015 135276887 /nfs/dbraw/zinc/27/68/87/135276887.db2.gz ZXAQCQYWNLQBNU-SMDDNHRTSA-N 2 0 238.375 1.485 20 0 BDADRP C[C@H](N)[C@@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000262131351 135280827 /nfs/dbraw/zinc/28/08/27/135280827.db2.gz OBNRSZCGWRDNAI-AAEUAGOBSA-N 2 0 225.380 1.188 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000262718091 135315411 /nfs/dbraw/zinc/31/54/11/135315411.db2.gz WZJKEBFEAOFQHO-YPMHNXCESA-N 2 0 243.395 1.350 20 0 BDADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC1=[NH+]CCCN1 ZINC000263161823 135336400 /nfs/dbraw/zinc/33/64/00/135336400.db2.gz OZRXGLWVANIZTE-RYUDHWBXSA-N 2 0 238.379 1.188 20 0 BDADRP Cc1n[nH]c(C)c1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000334312619 135351796 /nfs/dbraw/zinc/35/17/96/135351796.db2.gz UIXQGXRCJYQWLU-KWQFWETISA-N 2 0 222.336 1.196 20 0 BDADRP Cc1nocc1CN(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000334330182 135354883 /nfs/dbraw/zinc/35/48/83/135354883.db2.gz OPBIWIWSOZJKTJ-GWCFXTLKSA-N 2 0 237.347 1.755 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000086700376 135494660 /nfs/dbraw/zinc/49/46/60/135494660.db2.gz SBNAMQBQGNEXLV-JQWIXIFHSA-N 2 0 212.337 1.143 20 0 BDADRP CC[C@H]1CC[C@H]1[NH2+]CCCC[NH+]1CCOCC1 ZINC000348091940 136035870 /nfs/dbraw/zinc/03/58/70/136035870.db2.gz ZEIYYZLLEUULJD-UONOGXRCSA-N 2 0 240.391 1.877 20 0 BDADRP CC[C@@H]1CC[C@@H]1[NH2+]CCCC[NH+]1CCOCC1 ZINC000348091939 136035950 /nfs/dbraw/zinc/03/59/50/136035950.db2.gz ZEIYYZLLEUULJD-KGLIPLIRSA-N 2 0 240.391 1.877 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@]12CCOC2 ZINC000367456696 136043260 /nfs/dbraw/zinc/04/32/60/136043260.db2.gz CMXBSBHPOZUYTF-CQSZACIVSA-N 2 0 240.391 1.973 20 0 BDADRP Cc1c[nH]nc1CN1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000335349023 136068028 /nfs/dbraw/zinc/06/80/28/136068028.db2.gz OAXNZQDYFNNMPM-ZYHUDNBSSA-N 2 0 222.336 1.135 20 0 BDADRP Cn1cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000335372282 136083899 /nfs/dbraw/zinc/08/38/99/136083899.db2.gz QEVIWASSZVEWTL-CQSZACIVSA-N 2 0 248.374 1.242 20 0 BDADRP c1cc2c(s1)CCC[C@@H]2[NH2+]CC1C[NH2+]C1 ZINC000335551569 136098047 /nfs/dbraw/zinc/09/80/47/136098047.db2.gz JMLHFPTURUBVCP-NSHDSACASA-N 2 0 222.357 1.935 20 0 BDADRP Clc1ccc2c(c1)C[C@@H]([NH2+]CC1C[NH2+]C1)C2 ZINC000335553431 136098596 /nfs/dbraw/zinc/09/85/96/136098596.db2.gz WAMISJZVLZAGPO-ZDUSSCGKSA-N 2 0 236.746 1.616 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+](C[C@@H]3CCCOC3)C2)C1 ZINC000335569728 136108893 /nfs/dbraw/zinc/10/88/93/136108893.db2.gz DAKKXWSPMIAGPM-KBPBESRZSA-N 2 0 238.375 1.441 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+](C3CCCC3)C2)C1 ZINC000335570937 136109141 /nfs/dbraw/zinc/10/91/41/136109141.db2.gz XRFWSVSNVNVLEE-CYBMUJFWSA-N 2 0 208.349 1.957 20 0 BDADRP CO[C@H](C)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000335571675 136109741 /nfs/dbraw/zinc/10/97/41/136109741.db2.gz ZNIKERQHRUTZGJ-NEPJUHHUSA-N 2 0 212.337 1.049 20 0 BDADRP C[NH2+]C[C@@H]1C[C@H](F)CN1CC[NH2+]C(C)(C)C ZINC000647540222 397782522 /nfs/dbraw/zinc/78/25/22/397782522.db2.gz BTSJVVBETHIPGP-QWRGUYRKSA-N 2 0 231.359 1.006 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414824286 398045790 /nfs/dbraw/zinc/04/57/90/398045790.db2.gz QPMOQCDKLPMOLG-MQYQWHSLSA-N 2 0 239.407 1.495 20 0 BDADRP CCCN(CC[NH2+]C(C)(C)C)C1CC[NH2+]CC1 ZINC000414658407 398006933 /nfs/dbraw/zinc/00/69/33/398006933.db2.gz QRQVYHHGTZRMIR-UHFFFAOYSA-N 2 0 241.423 1.839 20 0 BDADRP C[C@@H]1CCC[C@]1(O)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000383194386 398009947 /nfs/dbraw/zinc/00/99/47/398009947.db2.gz SRHLGPWKPZOEAP-SYQHCUMBSA-N 2 0 240.391 1.610 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000414661888 398010150 /nfs/dbraw/zinc/01/01/50/398010150.db2.gz QPDJIJNEWXZIFO-SDDRHHMPSA-N 2 0 213.369 1.029 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000414662206 398010414 /nfs/dbraw/zinc/01/04/14/398010414.db2.gz QPDJIJNEWXZIFO-WOPDTQHZSA-N 2 0 213.369 1.029 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+]CCC2CCOCC2)C1 ZINC000383887215 398047751 /nfs/dbraw/zinc/04/77/51/398047751.db2.gz TXEYVJPFKJNIPF-CQSZACIVSA-N 2 0 240.391 1.735 20 0 BDADRP Cc1ccc(CNC[C@@H](O)C[N@@H+](C)C2CC2)o1 ZINC000383480901 398021926 /nfs/dbraw/zinc/02/19/26/398021926.db2.gz ARXACATWFJKGBV-GFCCVEGCSA-N 2 0 238.331 1.133 20 0 BDADRP [NH3+]CC1CCC([NH2+]Cc2ccc[nH]c2=O)CC1 ZINC000629545475 397969130 /nfs/dbraw/zinc/96/91/30/397969130.db2.gz MVSZCICQHAWXHC-UHFFFAOYSA-N 2 0 235.331 1.394 20 0 BDADRP CCCC[C@@H](COC)[NH2+]C[C@H]([NH3+])C(C)C ZINC000414799334 398041678 /nfs/dbraw/zinc/04/16/78/398041678.db2.gz RDDYFGQWLGEDKL-RYUDHWBXSA-N 2 0 216.369 1.765 20 0 BDADRP C[N@H+](Cc1cccc2nccn21)[C@H]1CCOC1 ZINC000271756793 397973596 /nfs/dbraw/zinc/97/35/96/397973596.db2.gz XMPMNCQTTBMLHT-LBPRGKRZSA-N 2 0 231.299 1.555 20 0 BDADRP CC(C)OCCC[N@H+](C)CC(C)(C)[NH3+] ZINC000382856207 397984437 /nfs/dbraw/zinc/98/44/37/397984437.db2.gz LIPYKQOYMRVBMC-UHFFFAOYSA-N 2 0 202.342 1.471 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H](COC)CC(C)C ZINC000414857871 398066008 /nfs/dbraw/zinc/06/60/08/398066008.db2.gz GJKUFSFANLKXIN-LLVKDONJSA-N 2 0 202.342 1.247 20 0 BDADRP CC(C)[C@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000186567259 398093277 /nfs/dbraw/zinc/09/32/77/398093277.db2.gz QPEYPEOENIWRIF-KGLIPLIRSA-N 2 0 241.423 1.647 20 0 BDADRP C[C@@H](C[N@@H+]1CCO[C@@H](C[NH3+])C1)C(C)(C)C ZINC000389323124 398073440 /nfs/dbraw/zinc/07/34/40/398073440.db2.gz CYCNEVRSLBAATJ-QWRGUYRKSA-N 2 0 214.353 1.328 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](OC)C2)[C@H](C)C1 ZINC000188800660 398077279 /nfs/dbraw/zinc/07/72/79/398077279.db2.gz JFMYQWBKZCXZEW-MQYQWHSLSA-N 2 0 240.391 1.874 20 0 BDADRP OC1(C[NH2+]CC2CC[NH+](C3CC3)CC2)CCC1 ZINC000521427805 398079356 /nfs/dbraw/zinc/07/93/56/398079356.db2.gz UKGOJNRWOUJKJH-UHFFFAOYSA-N 2 0 238.375 1.365 20 0 BDADRP CCn1cc(C[NH2+]CC[C@H]2CCC[NH2+]C2)cn1 ZINC000414845289 398055572 /nfs/dbraw/zinc/05/55/72/398055572.db2.gz GAARTAXYDFSSAX-GFCCVEGCSA-N 2 0 236.363 1.382 20 0 BDADRP COC1(C[N@@H+]2CCC[NH2+]CC2)CCCC1 ZINC000308898255 398101710 /nfs/dbraw/zinc/10/17/10/398101710.db2.gz AYVFEXVMHQQBGE-UHFFFAOYSA-N 2 0 212.337 1.241 20 0 BDADRP CC[NH+](CC)CCCNC[C@@H]([NH3+])CC(C)C ZINC000107785818 322862230 /nfs/dbraw/zinc/86/22/30/322862230.db2.gz QFLYPWJQFFHLHB-ZDUSSCGKSA-N 2 0 229.412 1.681 20 0 BDADRP CC[C@@H](O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062033285 398110668 /nfs/dbraw/zinc/11/06/68/398110668.db2.gz JNCYPWNHXFCVOF-CQSZACIVSA-N 2 0 240.391 1.565 20 0 BDADRP COC[C@]1(C[NH2+][C@@H](C)CCC2CC2)CCC[NH2+]1 ZINC000414957607 398126846 /nfs/dbraw/zinc/12/68/46/398126846.db2.gz QFHUPXVAXLYUQP-GXTWGEPZSA-N 2 0 240.391 1.923 20 0 BDADRP Fc1ccccc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000258891296 322878103 /nfs/dbraw/zinc/87/81/03/322878103.db2.gz CNSFICZTVDLLQA-NSHDSACASA-N 2 0 222.307 1.915 20 0 BDADRP Fc1cccc(C[NH2+]CC[C@H]2CC[NH2+]C2)c1 ZINC000258919272 322879627 /nfs/dbraw/zinc/87/96/27/322879627.db2.gz FYDVSSHHKUOSFR-LLVKDONJSA-N 2 0 222.307 1.915 20 0 BDADRP CC(C)[NH2+]CC(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000037610311 487560896 /nfs/dbraw/zinc/56/08/96/487560896.db2.gz XQBNXZSXMLUWLL-UHFFFAOYSA-N 2 0 249.358 1.685 20 0 BDADRP Cc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)nc1 ZINC000334846187 487573417 /nfs/dbraw/zinc/57/34/17/487573417.db2.gz MXEOCUFMGBVXOO-NEPJUHHUSA-N 2 0 219.332 1.750 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCCC[NH+](C)C)CS1 ZINC000086935747 487585985 /nfs/dbraw/zinc/58/59/85/487585985.db2.gz COIWEMMBKHNNMU-QWRGUYRKSA-N 2 0 216.394 1.812 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](CC)C2)CCO1 ZINC000070356918 487589330 /nfs/dbraw/zinc/58/93/30/487589330.db2.gz OZQWIKWLHYHXBE-MELADBBJSA-N 2 0 240.391 1.875 20 0 BDADRP c1csc(C[NH2+]CCC[C@H]2CCC[NH2+]2)n1 ZINC000308975733 487603302 /nfs/dbraw/zinc/60/33/02/487603302.db2.gz GOIYUSLENFKYBF-JTQLQIEISA-N 2 0 225.361 1.765 20 0 BDADRP CC[N@H+](CCCO)Cc1cccc2c1CC[NH2+]C2 ZINC000662257083 409557089 /nfs/dbraw/zinc/55/70/89/409557089.db2.gz PMRCMAGFCLCZEB-UHFFFAOYSA-N 2 0 248.370 1.537 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H](OC)C2CCC2)C1 ZINC000662247162 409545171 /nfs/dbraw/zinc/54/51/71/409545171.db2.gz UKRGGAIIMMZYNE-WCQYABFASA-N 2 0 226.364 1.343 20 0 BDADRP CC(C)[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CCC1 ZINC000662256058 409551261 /nfs/dbraw/zinc/55/12/61/409551261.db2.gz IZHHWEZDQJOHJN-ZDUSSCGKSA-N 2 0 238.375 1.770 20 0 BDADRP CO[C@H](C[NH+]1CCC(C)([NH3+])CC1)C1CCC1 ZINC000662271464 409575436 /nfs/dbraw/zinc/57/54/36/409575436.db2.gz UUOWTWFBJPXWOP-GFCCVEGCSA-N 2 0 226.364 1.615 20 0 BDADRP CC(C)(CCC[NH3+])NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653143512 409867258 /nfs/dbraw/zinc/86/72/58/409867258.db2.gz QWUCXWHDUYNFQN-LLVKDONJSA-N 2 0 241.379 1.010 20 0 BDADRP C[C@H](C[NH2+][C@H](C)[C@@H](C)O)C[NH+]1CCCC1 ZINC000087129793 487612057 /nfs/dbraw/zinc/61/20/57/487612057.db2.gz YMZQAYTXLQNXTI-IJLUTSLNSA-N 2 0 214.353 1.077 20 0 BDADRP C[C@@H]([NH2+]C[C@H](O)C1CCC1)C1CC[NH+](C)CC1 ZINC000316009308 410096066 /nfs/dbraw/zinc/09/60/66/410096066.db2.gz RQORNEVDDLSWOZ-RISCZKNCSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@H]([NH3+])CCC(=O)N1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000653239499 410181899 /nfs/dbraw/zinc/18/18/99/410181899.db2.gz ARMQZBAWEJNVQJ-SDDRHHMPSA-N 2 0 241.379 1.090 20 0 BDADRP c1ccc2c(c1)C[NH2+]CCN2C[C@]12C[C@H]1C[NH2+]C2 ZINC000663495483 410274597 /nfs/dbraw/zinc/27/45/97/410274597.db2.gz YFTSUELNMQBVIC-DZGCQCFKSA-N 2 0 243.354 1.206 20 0 BDADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC1CC[NH2+]CC1)C2 ZINC000650709146 410338898 /nfs/dbraw/zinc/33/88/98/410338898.db2.gz GAKLCZJJDKVBEJ-KBPBESRZSA-N 3 0 237.391 1.047 20 0 BDADRP CC[N@H+](CCCNCCC[NH3+])C1CCCCC1 ZINC000650710735 410339138 /nfs/dbraw/zinc/33/91/38/410339138.db2.gz YHVQXYXRYOSYCG-UHFFFAOYSA-N 2 0 241.423 1.970 20 0 BDADRP C[C@@H]1CCC[N@H+](Cc2ccc(N)nc2)[C@H]1CC[NH3+] ZINC000650712285 410342691 /nfs/dbraw/zinc/34/26/91/410342691.db2.gz ZBYOMUSONGPRQO-YPMHNXCESA-N 2 0 248.374 1.443 20 0 BDADRP Cc1nc(C[NH2+]CCC2(C[NH3+])CC2)cs1 ZINC000650711949 410343111 /nfs/dbraw/zinc/34/31/11/410343111.db2.gz KRCTYKRBJILYSU-UHFFFAOYSA-N 2 0 225.361 1.670 20 0 BDADRP C[C@]1(C[NH2+][C@H]2CNc3ccccc3C2)CC[NH2+]C1 ZINC000650714987 410346750 /nfs/dbraw/zinc/34/67/50/410346750.db2.gz KLGBGXKZIMYQKT-HIFRSBDPSA-N 2 0 245.370 1.612 20 0 BDADRP CC[C@@H](COC)[NH2+]Cc1ccccc1C[NH2+]C ZINC000650720173 410358485 /nfs/dbraw/zinc/35/84/85/410358485.db2.gz HAABUZPQSRCYBI-AWEZNQCLSA-N 2 0 236.359 1.921 20 0 BDADRP CC(C)C[N@H+](C)CCCN[C@@H](C)C[C@@H](C)[NH3+] ZINC000650740727 410374176 /nfs/dbraw/zinc/37/41/76/410374176.db2.gz PIVPCNOKKQGYGI-OLZOCXBDSA-N 2 0 229.412 1.680 20 0 BDADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccccn1 ZINC000650745638 410383052 /nfs/dbraw/zinc/38/30/52/410383052.db2.gz KWYRVYMAWCEPJG-NSHDSACASA-N 2 0 219.332 1.861 20 0 BDADRP [NH3+]CC1(CC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000650747525 410386934 /nfs/dbraw/zinc/38/69/34/410386934.db2.gz BSYYBXZHBYFYIX-ZIAGYGMSSA-N 3 0 245.370 1.850 20 0 BDADRP Cc1nccnc1[C@@H](C)[NH2+]CCC1(C[NH3+])CC1 ZINC000650747276 410387309 /nfs/dbraw/zinc/38/73/09/410387309.db2.gz WNDTXMLIWSZSEZ-SNVBAGLBSA-N 2 0 234.347 1.565 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650747790 410388921 /nfs/dbraw/zinc/38/89/21/410388921.db2.gz HUZHWGKZUBMRQK-VXGBXAGGSA-N 3 0 225.380 1.223 20 0 BDADRP C[C@@H](Cc1ccoc1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650748690 410389706 /nfs/dbraw/zinc/38/97/06/410389706.db2.gz ZTKJQSNNLYTSMU-NSHDSACASA-N 2 0 222.332 1.929 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000650755865 410398701 /nfs/dbraw/zinc/39/87/01/410398701.db2.gz OLGUQUPKJINEID-SWLSCSKDSA-N 3 0 247.386 1.623 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1cn[nH]c1 ZINC000650756526 410404704 /nfs/dbraw/zinc/40/47/04/410404704.db2.gz CUOOKXDAMGCESA-NSHDSACASA-N 2 0 244.342 1.980 20 0 BDADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)[C@H]1CCC[NH2+]1 ZINC000650761642 410410226 /nfs/dbraw/zinc/41/02/26/410410226.db2.gz GDXCIGJOLOBSSH-WCQYABFASA-N 3 0 225.380 1.106 20 0 BDADRP Cc1n[nH]cc1[C@@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650763140 410412376 /nfs/dbraw/zinc/41/23/76/410412376.db2.gz SGJWOEVMDIIODW-SNVBAGLBSA-N 2 0 236.363 1.758 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650763654 410414811 /nfs/dbraw/zinc/41/48/11/410414811.db2.gz GNYHJWBQQCXBEE-WDEREUQCSA-N 2 0 214.353 1.389 20 0 BDADRP CC(C)[C@@H](C)[N@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000309291094 410747088 /nfs/dbraw/zinc/74/70/88/410747088.db2.gz VTIQGBDPMSYOGY-CHWSQXEVSA-N 2 0 230.396 1.664 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCN(C(C)(C)C)C1 ZINC000665235940 410726484 /nfs/dbraw/zinc/72/64/84/410726484.db2.gz CTTQWCJAWKJPPD-STQMWFEESA-N 2 0 241.423 1.966 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+]CC1([NH3+])CCCC1 ZINC000665246287 410728939 /nfs/dbraw/zinc/72/89/39/410728939.db2.gz AUOLVNRNJKZNCH-MNOVXSKESA-N 2 0 212.337 1.273 20 0 BDADRP CO[C@@H](C)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000665244495 410729620 /nfs/dbraw/zinc/72/96/20/410729620.db2.gz OYWQAZLMGWDNNL-ZDEQEGDKSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@]1(CC[NH2+][C@H]2CCC[C@H]2[NH3+])CC1(F)F ZINC000665266665 410739148 /nfs/dbraw/zinc/73/91/48/410739148.db2.gz HDMRCKCLZAYPFN-UTLUCORTSA-N 2 0 218.291 1.891 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1c(C2CC2)cnn1C ZINC000665264485 410739513 /nfs/dbraw/zinc/73/95/13/410739513.db2.gz ABJFEADGRCDRDM-NXEZZACHSA-N 2 0 236.363 1.513 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@@H](C)C[C@@H](C)[NH3+])C1 ZINC000665273841 410743115 /nfs/dbraw/zinc/74/31/15/410743115.db2.gz FLIVTRNSRDDYQT-WOPDTQHZSA-N 2 0 213.369 1.186 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)[C@H]1CCCO1 ZINC000665282381 410760107 /nfs/dbraw/zinc/76/01/07/410760107.db2.gz WTDJSUXIZRFQSW-IJLUTSLNSA-N 2 0 214.353 1.517 20 0 BDADRP C[C@@H]1CCCC[C@H]1CN1CCN(C)C[C@H]1C[NH3+] ZINC000394865966 410829409 /nfs/dbraw/zinc/82/94/09/410829409.db2.gz UGSVVBXYDHBKHT-HZSPNIEDSA-N 2 0 239.407 1.387 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[NH2+]CCOC ZINC000020049191 169776660 /nfs/dbraw/zinc/77/66/60/169776660.db2.gz UHUIUTHVQOSOIW-LBPRGKRZSA-N 2 0 216.369 1.733 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)C1CC[NH+](C)CC1 ZINC000396458299 410881949 /nfs/dbraw/zinc/88/19/49/410881949.db2.gz OGYMXMUNIAEWDK-YPMHNXCESA-N 3 0 225.380 1.058 20 0 BDADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cccc(N)c1 ZINC000653299416 410818620 /nfs/dbraw/zinc/81/86/20/410818620.db2.gz SUAAUWQMZRGCLT-GXFFZTMASA-N 2 0 219.332 1.580 20 0 BDADRP C[C@@H]([NH2+]CCC[NH2+]C1CC1)C1CC[NH+](C)CC1 ZINC000396525188 410887832 /nfs/dbraw/zinc/88/78/32/410887832.db2.gz PDMMUVBHDNGHPT-GFCCVEGCSA-N 3 0 239.407 1.448 20 0 BDADRP CC(C)[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000037859787 167382343 /nfs/dbraw/zinc/38/23/43/167382343.db2.gz KJDIPNZFGGDRAA-NEPJUHHUSA-N 2 0 214.353 1.077 20 0 BDADRP CC(C)[C@@H](CO)[NH2+][C@@H](C)CCCC[NH3+] ZINC000308646554 167408305 /nfs/dbraw/zinc/40/83/05/167408305.db2.gz HRHGMUXOABPBRO-WDEREUQCSA-N 2 0 202.342 1.110 20 0 BDADRP Cc1cccc(CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000399959692 411071094 /nfs/dbraw/zinc/07/10/94/411071094.db2.gz YTEFJKVWHVBWDZ-BETUJISGSA-N 2 0 231.343 1.084 20 0 BDADRP CC1(C)COC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400919098 411163690 /nfs/dbraw/zinc/16/36/90/411163690.db2.gz IQLAGXSMMDQPIP-LPWJVIDDSA-N 2 0 238.375 1.389 20 0 BDADRP CC(C)=CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400927322 411163909 /nfs/dbraw/zinc/16/39/09/411163909.db2.gz MQLAQJGMZGVPGZ-YNEHKIRRSA-N 2 0 208.349 1.930 20 0 BDADRP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CO[C@@H](C)C1 ZINC000651865148 411148094 /nfs/dbraw/zinc/14/80/94/411148094.db2.gz OVHNRCVCWAGKTI-QWHCGFSZSA-N 2 0 228.380 1.731 20 0 BDADRP [NH3+]CCC[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000655946497 411161012 /nfs/dbraw/zinc/16/10/12/411161012.db2.gz MGOMUSSGZAFDGC-GFCCVEGCSA-N 2 0 212.337 1.369 20 0 BDADRP C([C@H]1CC[NH2+]C1)[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000655945729 411161466 /nfs/dbraw/zinc/16/14/66/411161466.db2.gz GAMITFYJASFUME-GXTWGEPZSA-N 2 0 238.375 1.629 20 0 BDADRP CC(C)[NH2+][C@@H]1CCCN(C[C@H]2CCC[N@@H+]2C)C1 ZINC000300691287 411125032 /nfs/dbraw/zinc/12/50/32/411125032.db2.gz SBBPJDVSPAYOAG-ZIAGYGMSSA-N 2 0 239.407 1.543 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C(C)(C)O ZINC000401002695 411168493 /nfs/dbraw/zinc/16/84/93/411168493.db2.gz ACLHPTRLSZXFQF-LPWJVIDDSA-N 2 0 240.391 1.514 20 0 BDADRP OCCC1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000401006830 411169335 /nfs/dbraw/zinc/16/93/35/411169335.db2.gz CDHDCTPYRXIPRO-ZDUSSCGKSA-N 2 0 226.364 1.080 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@@H](C)O ZINC000401010819 411171141 /nfs/dbraw/zinc/17/11/41/411171141.db2.gz RPSJRYGVYOGUSK-LBELIVKGSA-N 2 0 226.364 1.124 20 0 BDADRP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCCS1 ZINC000401052355 411174173 /nfs/dbraw/zinc/17/41/73/411174173.db2.gz YYBDKIKUHGUNSG-LOWDOPEQSA-N 2 0 240.416 1.860 20 0 BDADRP CCC[C@H](O)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401046331 411174280 /nfs/dbraw/zinc/17/42/80/411174280.db2.gz GUDMYSLZGAZOMB-LOWDOPEQSA-N 2 0 226.364 1.125 20 0 BDADRP C1CC1N1CC[C@H]([NH2+][C@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000401048369 411174421 /nfs/dbraw/zinc/17/44/21/411174421.db2.gz XBUAXGWCIGISCP-RFGFWPKPSA-N 2 0 249.402 1.201 20 0 BDADRP COC[C@H]([NH2+]CCC[N@H+](C)CC(C)C)C1CC1 ZINC000652221973 411175726 /nfs/dbraw/zinc/17/57/26/411175726.db2.gz BCWRHCRBDCUXOX-AWEZNQCLSA-N 2 0 242.407 1.979 20 0 BDADRP COC[C@H](C)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401084034 411176492 /nfs/dbraw/zinc/17/64/92/411176492.db2.gz UFSUZLPLSKWLHB-YVECIDJPSA-N 2 0 226.364 1.247 20 0 BDADRP Cc1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)n(C)n1 ZINC000401109842 411176942 /nfs/dbraw/zinc/17/69/42/411176942.db2.gz GXFNTVHQVHYWOY-FRRDWIJNSA-N 2 0 248.374 1.206 20 0 BDADRP FC(F)OCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401161781 411179214 /nfs/dbraw/zinc/17/92/14/411179214.db2.gz TVEADIGNFPOPSX-OUAUKWLOSA-N 2 0 248.317 1.593 20 0 BDADRP Cc1nccn1CC[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000661700451 411191357 /nfs/dbraw/zinc/19/13/57/411191357.db2.gz MKOPOMWKQLGZAB-CHWSQXEVSA-N 2 0 235.331 1.160 20 0 BDADRP CCC(C)(C)[NH+]1CCN(CC(C)(C)[NH3+])CC1 ZINC000656193412 411198165 /nfs/dbraw/zinc/19/81/65/411198165.db2.gz KVDKQCREHAWRHI-UHFFFAOYSA-N 2 0 227.396 1.530 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000656193696 411199244 /nfs/dbraw/zinc/19/92/44/411199244.db2.gz PPMFPGAFWHMNOQ-CABCVRRESA-N 3 0 247.386 1.766 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CNc3ccccc3C2)C1 ZINC000656193779 411199420 /nfs/dbraw/zinc/19/94/20/411199420.db2.gz RPZLELKLJOKLEP-RDBSUJKOSA-N 2 0 245.370 1.883 20 0 BDADRP CCC1(O)CCC([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000656198195 411203007 /nfs/dbraw/zinc/20/30/07/411203007.db2.gz MKGMHEBMVJEMAR-RJZJGCCBSA-N 2 0 240.391 1.930 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H](CO)CC2)C1 ZINC000656198155 411203231 /nfs/dbraw/zinc/20/32/31/411203231.db2.gz HUNOTZJMADKSIZ-NDBYEHHHSA-N 2 0 226.364 1.397 20 0 BDADRP C[C@@H](Cc1ccccn1)N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000656201234 411205819 /nfs/dbraw/zinc/20/58/19/411205819.db2.gz LADZTLZSCVLJQC-OBJOEFQTSA-N 2 0 233.359 1.743 20 0 BDADRP C[C@H](Cc1ccccn1)N[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000656201233 411206345 /nfs/dbraw/zinc/20/63/45/411206345.db2.gz LADZTLZSCVLJQC-MBNYWOFBSA-N 2 0 233.359 1.743 20 0 BDADRP COCC1(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000656201710 411207765 /nfs/dbraw/zinc/20/77/65/411207765.db2.gz XRCWAHWNUZPESY-RYUDHWBXSA-N 2 0 226.364 1.533 20 0 BDADRP CC[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652345542 411208930 /nfs/dbraw/zinc/20/89/30/411208930.db2.gz DVFOUTUUEUAMCP-SDDRHHMPSA-N 2 0 212.337 1.225 20 0 BDADRP OCC1([NH2+]CCCC2CC[NH2+]CC2)CCCC1 ZINC000652344354 411209022 /nfs/dbraw/zinc/20/90/22/411209022.db2.gz STXQJUUIISSBKO-UHFFFAOYSA-N 2 0 240.391 1.661 20 0 BDADRP C[C@@H](CO)C1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000652358581 411216098 /nfs/dbraw/zinc/21/60/98/411216098.db2.gz TXTWZWFMHIFYEP-STQMWFEESA-N 2 0 240.391 1.326 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]CC[C@H]2CCOC2)C1 ZINC000656268293 411222681 /nfs/dbraw/zinc/22/26/81/411222681.db2.gz BAYVSIHTKKVACB-RWMBFGLXSA-N 2 0 226.364 1.343 20 0 BDADRP COC[C@@H](C)C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656268310 411222704 /nfs/dbraw/zinc/22/27/04/411222704.db2.gz BNHWZLUFYRRFSZ-SDDRHHMPSA-N 2 0 214.353 1.199 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)C1(C)CC1 ZINC000310226847 411227112 /nfs/dbraw/zinc/22/71/12/411227112.db2.gz GXBCTAHBSTYIQL-CHWSQXEVSA-N 2 0 242.407 1.808 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CCC[NH+](C)C)CS1 ZINC000655684771 411227173 /nfs/dbraw/zinc/22/71/73/411227173.db2.gz WLHXYZKQDYZNAS-MNOVXSKESA-N 2 0 216.394 1.812 20 0 BDADRP CC[C@H]1C[N@H+](CCn2cc(C)cn2)CC[C@H]1[NH3+] ZINC000310311742 411232582 /nfs/dbraw/zinc/23/25/82/411232582.db2.gz UYGJWOBALFCNKT-QWHCGFSZSA-N 2 0 236.363 1.251 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@@H]1C[NH2+]CC[C@H]1C ZINC000422905652 411235061 /nfs/dbraw/zinc/23/50/61/411235061.db2.gz IMXCFWQGLMOQCP-FRRDWIJNSA-N 2 0 227.396 1.304 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CCC[NH2+]1 ZINC000423173582 411235929 /nfs/dbraw/zinc/23/59/29/411235929.db2.gz ZGYOWLUECJAZIS-NAWOPXAZSA-N 2 0 208.349 1.905 20 0 BDADRP CC[C@@H]([NH2+]C[C@@H](C)CCOC)[C@@H]1CCC[NH2+]1 ZINC000423173520 411236261 /nfs/dbraw/zinc/23/62/61/411236261.db2.gz ZCAIKETZOZKWET-XQQFMLRXSA-N 2 0 228.380 1.779 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400974231 411167406 /nfs/dbraw/zinc/16/74/06/411167406.db2.gz RBYFYPGELIKLCV-XDQVBPFNSA-N 2 0 240.391 1.229 20 0 BDADRP CC(C)(C)[C@@H]([NH3+])c1cn(C2CC[NH2+]CC2)nn1 ZINC000656457226 411266231 /nfs/dbraw/zinc/26/62/31/411266231.db2.gz TUMPKXJWLARLDT-NSHDSACASA-N 2 0 237.351 1.249 20 0 BDADRP COC[C@@H]1CCC[N@@H+]1CCc1cncn1C ZINC000656453963 411276172 /nfs/dbraw/zinc/27/61/72/411276172.db2.gz HJVYMPBIBMNTNW-LBPRGKRZSA-N 2 0 223.320 1.073 20 0 BDADRP CO[C@@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000658170236 411280434 /nfs/dbraw/zinc/28/04/34/411280434.db2.gz SXJQCWPLRJPNCF-RVMXOQNASA-N 2 0 226.364 1.484 20 0 BDADRP CCO[C@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000051889762 411285851 /nfs/dbraw/zinc/28/58/51/411285851.db2.gz QMIRMCQQHAWJDK-NEPJUHHUSA-N 2 0 212.337 1.097 20 0 BDADRP COCCC[N@H+](C)CCCC1CC[NH2+]CC1 ZINC000062036314 411301569 /nfs/dbraw/zinc/30/15/69/411301569.db2.gz ZVFUJBMSHODQNF-UHFFFAOYSA-N 2 0 228.380 1.735 20 0 BDADRP [NH3+]CCCN1CCCc2cccc(C[NH3+])c21 ZINC000629558958 411324460 /nfs/dbraw/zinc/32/44/60/411324460.db2.gz BKJMDAFVKILWEX-UHFFFAOYSA-N 2 0 219.332 1.247 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@@H]1CCCn2ccnc21 ZINC000655702920 411253196 /nfs/dbraw/zinc/25/31/96/411253196.db2.gz GJPIMQGZJVHVCH-GFCCVEGCSA-N 2 0 236.363 1.649 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1cccc(N)c1 ZINC000656784922 411361217 /nfs/dbraw/zinc/36/12/17/411361217.db2.gz HYZXYBUKMRQZBZ-BXUZGUMPSA-N 2 0 233.359 1.889 20 0 BDADRP CC[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)[C@H](C)CO1 ZINC000403851489 411363453 /nfs/dbraw/zinc/36/34/53/411363453.db2.gz WRCSRLIGLWIKNJ-TZMCWYRMSA-N 2 0 240.391 1.875 20 0 BDADRP C[N@H+](CC[C@@H]1CCOC1)CC(C)(C)[NH3+] ZINC000656785682 411365108 /nfs/dbraw/zinc/36/51/08/411365108.db2.gz PNZYRKSAKCBLGH-SNVBAGLBSA-N 2 0 200.326 1.082 20 0 BDADRP CN(Cc1ccc2c(c1)C[NH2+]CC2)CC(C)(C)[NH3+] ZINC000656786348 411365837 /nfs/dbraw/zinc/36/58/37/411365837.db2.gz XFJRPMTZDXUMPV-UHFFFAOYSA-N 3 0 247.386 1.501 20 0 BDADRP [NH3+]CCC[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656787327 411366438 /nfs/dbraw/zinc/36/64/38/411366438.db2.gz XMGZZZXFFDKCOP-ZDUSSCGKSA-N 3 0 225.380 1.047 20 0 BDADRP [NH3+]C1(C[NH2+]CC[C@@H]2CCOC2)CCCC1 ZINC000656789578 411368713 /nfs/dbraw/zinc/36/87/13/411368713.db2.gz RLPZZHHALDFXEQ-LLVKDONJSA-N 2 0 212.337 1.274 20 0 BDADRP CC[N@@H+]1CC[C@H](NCC2([NH3+])CCCC2)[C@@H](C)C1 ZINC000656789595 411368996 /nfs/dbraw/zinc/36/89/96/411368996.db2.gz RSXZCJCXHVYNSI-STQMWFEESA-N 2 0 239.407 1.578 20 0 BDADRP [NH3+][C@H]1CCC[C@H](NCC2([NH3+])CCCC2)C1 ZINC000656789381 411369617 /nfs/dbraw/zinc/36/96/17/411369617.db2.gz NOWJELAWBZMREA-QWRGUYRKSA-N 2 0 211.353 1.117 20 0 BDADRP CC(C)([NH3+])CNc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000656791395 411369984 /nfs/dbraw/zinc/36/99/84/411369984.db2.gz FDZSXRMKWNKMFT-CYBMUJFWSA-N 2 0 249.358 1.497 20 0 BDADRP [NH3+]CCC[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000656791496 411370717 /nfs/dbraw/zinc/37/07/17/411370717.db2.gz HXSKAFQZCKBNTG-ZDUSSCGKSA-N 2 0 226.364 1.616 20 0 BDADRP [NH3+]CCC[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000656791494 411371136 /nfs/dbraw/zinc/37/11/36/411371136.db2.gz HXSKAFQZCKBNTG-CYBMUJFWSA-N 2 0 226.364 1.616 20 0 BDADRP Cc1cc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)no1 ZINC000063527719 411371596 /nfs/dbraw/zinc/37/15/96/411371596.db2.gz JELWAWVPLRUHFN-UHFFFAOYSA-N 2 0 249.358 1.901 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+]CCc1ccoc1 ZINC000656714146 411338399 /nfs/dbraw/zinc/33/83/99/411338399.db2.gz LSLYYWPTBUSWIQ-CYBMUJFWSA-N 2 0 240.347 1.113 20 0 BDADRP CC1(C)[C@@H]2C[N@@H+](C[C@@]3(C)CC[NH2+]C3)C[C@@H]21 ZINC000261555108 168012458 /nfs/dbraw/zinc/01/24/58/168012458.db2.gz URZTWXFQMHGSRS-LOWVWBTDSA-N 2 0 208.349 1.574 20 0 BDADRP Cc1cnccc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000129720018 411377530 /nfs/dbraw/zinc/37/75/30/411377530.db2.gz CBUATVDLMMHOCK-QWHCGFSZSA-N 2 0 219.332 1.750 20 0 BDADRP CC1CC([NH2+][C@H]2CCn3ccnc3C2)C1 ZINC000309135454 168148571 /nfs/dbraw/zinc/14/85/71/168148571.db2.gz SAYDMAJHKOJJSJ-YVNMAJEFSA-N 2 0 205.305 1.586 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000336704505 168178932 /nfs/dbraw/zinc/17/89/32/168178932.db2.gz KRDQYGUUNDAUGL-CQSZACIVSA-N 3 0 241.423 1.825 20 0 BDADRP CC1CC[NH+](CCNC2CC[NH2+]CC2)CC1 ZINC000040772212 168180859 /nfs/dbraw/zinc/18/08/59/168180859.db2.gz FBFOIZVYHALEBF-UHFFFAOYSA-N 2 0 225.380 1.060 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)CO1 ZINC000657308328 411457834 /nfs/dbraw/zinc/45/78/34/411457834.db2.gz ZLDKPKVDGYBSDE-MBNYWOFBSA-N 2 0 238.375 1.628 20 0 BDADRP COCCOCC[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404384940 411392600 /nfs/dbraw/zinc/39/26/00/411392600.db2.gz NWOVVTMSFZSPSD-STQMWFEESA-N 2 0 244.379 1.099 20 0 BDADRP COCCCC[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404427705 411396108 /nfs/dbraw/zinc/39/61/08/411396108.db2.gz MRNCJLMHBREFJU-STQMWFEESA-N 2 0 228.380 1.862 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CC1CCSCC1 ZINC000336686634 411399065 /nfs/dbraw/zinc/39/90/65/411399065.db2.gz LNMPEVZXQKBJSE-SNVBAGLBSA-N 2 0 216.394 1.847 20 0 BDADRP COC[C@H](C)C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404491664 411399114 /nfs/dbraw/zinc/39/91/14/411399114.db2.gz BGEWAIGNIFYKKZ-FRRDWIJNSA-N 2 0 228.380 1.718 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC2(CC2)CC1 ZINC000653593572 411427749 /nfs/dbraw/zinc/42/77/49/411427749.db2.gz GAKVCCUTEQSPCU-GFCCVEGCSA-N 2 0 226.364 1.175 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]CCCn2ccnc2)CO1 ZINC000657286908 411446189 /nfs/dbraw/zinc/44/61/89/411446189.db2.gz SOFDVCHMXGBLBD-NWDGAFQWSA-N 2 0 223.320 1.430 20 0 BDADRP Cc1ncc(C[NH2+]CCCC[NH+](C)C)n1C ZINC000657334542 411463972 /nfs/dbraw/zinc/46/39/72/411463972.db2.gz CPTBUTIZDKBHOJ-UHFFFAOYSA-N 2 0 224.352 1.160 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+][C@@H](C)CC[NH+](C)C)CO1 ZINC000657334428 411464067 /nfs/dbraw/zinc/46/40/67/411464067.db2.gz ABURESFQPAFJEK-SDDRHHMPSA-N 2 0 214.353 1.484 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]CCC2CC[NH+](C)CC2)CO1 ZINC000657348348 411474976 /nfs/dbraw/zinc/47/49/76/411474976.db2.gz SGHKFCTUVFNCQN-ZIAGYGMSSA-N 2 0 240.391 1.875 20 0 BDADRP c1cc(N2CCC([NH2+][C@@H]3CCOC3)CC2)cc[nH+]1 ZINC000131352355 411490260 /nfs/dbraw/zinc/49/02/60/411490260.db2.gz HTBXPBWHRMZRDU-CYBMUJFWSA-N 2 0 247.342 1.429 20 0 BDADRP CC(C)(C)[NH2+]CC[NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000415089233 411490594 /nfs/dbraw/zinc/49/05/94/411490594.db2.gz NHIVLFZNYHZWKH-XQQFMLRXSA-N 2 0 240.391 1.922 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)CCO1 ZINC000069890344 411505485 /nfs/dbraw/zinc/50/54/85/411505485.db2.gz DIMGDHLVDJBNTA-RWMBFGLXSA-N 2 0 228.380 1.874 20 0 BDADRP C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000306285659 411508969 /nfs/dbraw/zinc/50/89/69/411508969.db2.gz JXUADLHGQYTHAD-NAKRPEOUSA-N 2 0 214.378 1.597 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]1C[C@H]1C ZINC000655803893 411518546 /nfs/dbraw/zinc/51/85/46/411518546.db2.gz HCVLLDZPNIPCRR-FHUSYTEZSA-N 2 0 210.365 1.961 20 0 BDADRP CC[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CCO1 ZINC000655804132 411519353 /nfs/dbraw/zinc/51/93/53/411519353.db2.gz QWZIEPHGVOMDNN-MQYQWHSLSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@H]1COCC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655804057 411519358 /nfs/dbraw/zinc/51/93/58/411519358.db2.gz NQUNXURPGIYVDM-RVMXOQNASA-N 2 0 226.364 1.341 20 0 BDADRP CC[C@@H](COC)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805389 411519694 /nfs/dbraw/zinc/51/96/94/411519694.db2.gz HBOCVNRMMAOZGB-SDDRHHMPSA-N 2 0 214.353 1.341 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CC[N@@H+]1C ZINC000655805853 411520464 /nfs/dbraw/zinc/52/04/64/411520464.db2.gz MEEPJYPGVHKSKF-SYQHCUMBSA-N 3 0 239.407 1.399 20 0 BDADRP Cc1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)nn1C ZINC000655825155 411527062 /nfs/dbraw/zinc/52/70/62/411527062.db2.gz YNOCCWRBUAZWRR-BJHJDKERSA-N 2 0 236.363 1.158 20 0 BDADRP Cc1noc(C)c1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655826465 411529801 /nfs/dbraw/zinc/52/98/01/411529801.db2.gz WSJIAWQMAGQWPP-TXEJJXNPSA-N 2 0 237.347 1.721 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccn2C)C1 ZINC000050595869 170008094 /nfs/dbraw/zinc/00/80/94/170008094.db2.gz HFPNKLHBXNRHLT-LBPRGKRZSA-N 2 0 221.348 1.457 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+]CC2(OC)CCCC2)C1 ZINC000319508464 170008674 /nfs/dbraw/zinc/00/86/74/170008674.db2.gz XGCGZMJGKOGPLT-ZDUSSCGKSA-N 2 0 240.391 1.877 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCCCO)C[C@H]1C ZINC000336714548 170010135 /nfs/dbraw/zinc/01/01/35/170010135.db2.gz UAEJZQYNOVVHIB-ZIAGYGMSSA-N 2 0 242.407 1.954 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)C(C)C)C[C@@H]1C ZINC000336710123 170018057 /nfs/dbraw/zinc/01/80/57/170018057.db2.gz OUVFDSAHVKAFNK-IHRRRGAJSA-N 2 0 242.407 1.808 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](C)O)[C@H](C)C1 ZINC000336693997 170018949 /nfs/dbraw/zinc/01/89/49/170018949.db2.gz SYKDGORQPBJIEC-WOPDTQHZSA-N 2 0 214.353 1.029 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CCOC(C)C)[C@H](C)C1 ZINC000120531694 170020816 /nfs/dbraw/zinc/02/08/16/170020816.db2.gz DUSBSCPYPNTXIF-OLZOCXBDSA-N 2 0 228.380 1.731 20 0 BDADRP CCN1C[C@H](C)[C@H]([NH2+]CCCC[NH+](C)C)C1 ZINC000309611725 170036643 /nfs/dbraw/zinc/03/66/43/170036643.db2.gz BOXNRXSZFDPWAI-QWHCGFSZSA-N 2 0 227.396 1.258 20 0 BDADRP CC[NH2+]CC1CC[NH+](CC2CCOCC2)CC1 ZINC000053659243 170110948 /nfs/dbraw/zinc/11/09/48/170110948.db2.gz LWTMPWIOSKDORZ-UHFFFAOYSA-N 2 0 240.391 1.735 20 0 BDADRP CC[NH2+]Cc1cccc(NC(=O)[C@@H]2CC[NH2+]C2)c1 ZINC000124086616 170128343 /nfs/dbraw/zinc/12/83/43/170128343.db2.gz OVELXNHYRHXOOL-GFCCVEGCSA-N 2 0 247.342 1.344 20 0 BDADRP CCOCCC[NH+]1CCC([NH2+]C)CC1 ZINC000037241839 170371707 /nfs/dbraw/zinc/37/17/07/170371707.db2.gz VIQMZMFGFQBGME-UHFFFAOYSA-N 2 0 200.326 1.097 20 0 BDADRP CCOCCC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000336655777 170374799 /nfs/dbraw/zinc/37/47/99/170374799.db2.gz AAMJCZMEFGUDAM-GFCCVEGCSA-N 2 0 212.337 1.098 20 0 BDADRP CCOCCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000308878685 170375927 /nfs/dbraw/zinc/37/59/27/170375927.db2.gz CFXLJPYGXQVCRZ-QJPTWQEYSA-N 2 0 212.337 1.082 20 0 BDADRP CCOCC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000370013677 170398121 /nfs/dbraw/zinc/39/81/21/170398121.db2.gz ZPRDLMDPFFDUGJ-UHFFFAOYSA-N 2 0 240.391 1.831 20 0 BDADRP CC(C)OCC[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660651751 411610395 /nfs/dbraw/zinc/61/03/95/411610395.db2.gz CEFOHBWDAWEAFM-CQSZACIVSA-N 2 0 240.391 1.829 20 0 BDADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H]1CCCO1)C2 ZINC000660655065 411613175 /nfs/dbraw/zinc/61/31/75/411613175.db2.gz KGZUIUHWVHEEST-UONOGXRCSA-N 2 0 238.375 1.583 20 0 BDADRP COC[C@@H](C)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660659189 411614411 /nfs/dbraw/zinc/61/44/11/411614411.db2.gz NLYSBKXYQBSYSD-CHWSQXEVSA-N 2 0 226.364 1.439 20 0 BDADRP CC[C@H](O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660660022 411615249 /nfs/dbraw/zinc/61/52/49/411615249.db2.gz SLEBMCJAUFAYRZ-QWHCGFSZSA-N 2 0 226.364 1.175 20 0 BDADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCCCCO)C2 ZINC000660658160 411615366 /nfs/dbraw/zinc/61/53/66/411615366.db2.gz DAZQKWLUHQUFEA-CQSZACIVSA-N 2 0 240.391 1.567 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CCOCCF)[C@H]2CCC[C@H]21 ZINC000663459426 411661905 /nfs/dbraw/zinc/66/19/05/411661905.db2.gz CEJQNCUAHUTXNH-FRRDWIJNSA-N 2 0 244.354 1.435 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCOCCF)CC[N@@H+]1C ZINC000663460672 411662537 /nfs/dbraw/zinc/66/25/37/411662537.db2.gz CMFSLRZFOUERLC-MNOVXSKESA-N 2 0 218.316 1.045 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CCOCCF)[C@H]2CCC[C@@H]21 ZINC000663459424 411662988 /nfs/dbraw/zinc/66/29/88/411662988.db2.gz CEJQNCUAHUTXNH-AGIUHOORSA-N 2 0 244.354 1.435 20 0 BDADRP CC(C)(C)[NH+]1CCC([NH2+]CCOCCF)CC1 ZINC000663462779 411665486 /nfs/dbraw/zinc/66/54/86/411665486.db2.gz HBQJTEIRIKWCNT-UHFFFAOYSA-N 2 0 246.370 1.825 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC[C@@]23C[C@@H]2C[NH2+]C3)cc1 ZINC000663495070 411675796 /nfs/dbraw/zinc/67/57/96/411675796.db2.gz VAXWCWMROLYBEL-SUHUHFCYSA-N 2 0 231.343 1.728 20 0 BDADRP C[C@@H]1CC2(C[N@@H+]1C[C@@]13C[C@@H]1C[NH2+]C3)CC[NH2+]CC2 ZINC000663497188 411678977 /nfs/dbraw/zinc/67/89/77/411678977.db2.gz LGDJNSWINZORPG-NFAWXSAZSA-N 3 0 249.402 1.060 20 0 BDADRP C[C@@H]1CCC[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC000663497318 411679013 /nfs/dbraw/zinc/67/90/13/411679013.db2.gz DQZCBHCEGQCUHQ-CQLXCSJHSA-N 2 0 208.349 1.907 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cccnc1 ZINC000663499380 411684466 /nfs/dbraw/zinc/68/44/66/411684466.db2.gz ZHDJFENIGATPQQ-GFCCVEGCSA-N 2 0 207.321 1.545 20 0 BDADRP CC[N@@H+]1C[C@@H](C)[C@@H](Nc2cc(CO)cc(C)n2)C1 ZINC000663709760 411728785 /nfs/dbraw/zinc/72/87/85/411728785.db2.gz ZCKAXRWJMPQZCO-MFKMUULPSA-N 2 0 249.358 1.634 20 0 BDADRP CCOc1ccccc1C[NH2+]CCCC[NH3+] ZINC000037714632 170593159 /nfs/dbraw/zinc/59/31/59/170593159.db2.gz JICYDGDAJXUXFE-UHFFFAOYSA-N 2 0 222.332 1.914 20 0 BDADRP CC[C@@H](C)[C@@](C)(O)C[NH2+]C1CC[NH+](CC)CC1 ZINC000360241170 170786402 /nfs/dbraw/zinc/78/64/02/170786402.db2.gz YUEQKBUUZRBUGZ-OCCSQVGLSA-N 2 0 242.407 1.857 20 0 BDADRP CC[C@@H](COC)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000310021036 170846381 /nfs/dbraw/zinc/84/63/81/170846381.db2.gz NHJDTYHTJNKYIR-HIFPTAJRSA-N 2 0 228.380 1.874 20 0 BDADRP CC(C)CC1([NH2+]C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000662066335 411967801 /nfs/dbraw/zinc/96/78/01/411967801.db2.gz JQQCRLGCZGKHOJ-ZDUSSCGKSA-N 2 0 242.407 1.856 20 0 BDADRP CCC[C@@H](C)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662151735 412008551 /nfs/dbraw/zinc/00/85/51/412008551.db2.gz JWZXLWYWXYJAMT-OCCSQVGLSA-N 2 0 240.391 1.706 20 0 BDADRP CC(C)C[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C(C)C ZINC000662253454 412049360 /nfs/dbraw/zinc/04/93/60/412049360.db2.gz WBKXNSPXHZYRMJ-ZDUSSCGKSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]([N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1)C(C)(C)C ZINC000662253135 412049425 /nfs/dbraw/zinc/04/94/25/412049425.db2.gz WLSDUSCUYILEOF-VXGBXAGGSA-N 2 0 240.391 1.874 20 0 BDADRP CC[C@@H](C)[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662253474 412049986 /nfs/dbraw/zinc/04/99/86/412049986.db2.gz WGZCHNKODHACDB-MNOVXSKESA-N 2 0 212.337 1.238 20 0 BDADRP C([C@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1[C@H]2CC[C@@H]1CCC2 ZINC000662255412 412050924 /nfs/dbraw/zinc/05/09/24/412050924.db2.gz OZKKJVVAZYSICU-FRRDWIJNSA-N 2 0 236.359 1.524 20 0 BDADRP CC[C@@H](C)C[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662255472 412051048 /nfs/dbraw/zinc/05/10/48/412051048.db2.gz PTTWEOACDYWJSY-NEPJUHHUSA-N 2 0 226.364 1.485 20 0 BDADRP CC[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CCC1 ZINC000662257450 412052301 /nfs/dbraw/zinc/05/23/01/412052301.db2.gz SDPUCDSOJXLNGA-LBPRGKRZSA-N 2 0 224.348 1.382 20 0 BDADRP Cc1nocc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000662270960 412062623 /nfs/dbraw/zinc/06/26/23/412062623.db2.gz COMSRNSBFTXPIW-LLVKDONJSA-N 2 0 223.320 1.544 20 0 BDADRP CC[C@@H]1C[C@@H](C)C[N@@H+]1C[C@@H](O)CN(C)C1CC1 ZINC000310523216 171118454 /nfs/dbraw/zinc/11/84/54/171118454.db2.gz VEMJETIDHNIXOD-BZPMIXESSA-N 2 0 240.391 1.562 20 0 BDADRP CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662280441 412071164 /nfs/dbraw/zinc/07/11/64/412071164.db2.gz DNPZAIXKCHWEHI-QJPTWQEYSA-N 2 0 226.364 1.532 20 0 BDADRP COC[C@H](C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+])OC ZINC000662285311 412077143 /nfs/dbraw/zinc/07/71/43/412077143.db2.gz JJFNYFSUVPYCRL-AVGNSLFASA-N 2 0 244.379 1.097 20 0 BDADRP C[C@@H]1CC[N@H+](CCO[C@@H]2CC2(F)F)C[C@@H]1C[NH3+] ZINC000662282754 412072915 /nfs/dbraw/zinc/07/29/15/412072915.db2.gz QJKQRUWKKLYZLP-OUAUKWLOSA-N 2 0 248.317 1.327 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1CCCC[C@H]1[NH3+])C1CCC1 ZINC000662283905 412075522 /nfs/dbraw/zinc/07/55/22/412075522.db2.gz RJHWWHFAQNIITK-JHJVBQTASA-N 2 0 226.364 1.661 20 0 BDADRP CCO[C@@H]1C[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C[C@H]1C[NH3+] ZINC000662283591 412076051 /nfs/dbraw/zinc/07/60/51/412076051.db2.gz AYPVMNQLDHNEER-XVIXHAIJSA-N 2 0 238.375 1.328 20 0 BDADRP C[C@@H]([NH3+])CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662292071 412080216 /nfs/dbraw/zinc/08/02/16/412080216.db2.gz LVJDLYHWRTXIBA-DGCLKSJQSA-N 2 0 225.380 1.045 20 0 BDADRP OCC1([NH2+]CC2CCCCC2)CC[NH2+]CC1 ZINC000662287194 412080389 /nfs/dbraw/zinc/08/03/89/412080389.db2.gz SRQOHLYOOVQFQA-UHFFFAOYSA-N 2 0 226.364 1.271 20 0 BDADRP CC[C@H](C)[C@@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000020128536 171364420 /nfs/dbraw/zinc/36/44/20/171364420.db2.gz PVOQTUXBRLQJAV-UONOGXRCSA-N 2 0 241.423 1.648 20 0 BDADRP C[C@@H](N)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294693 412082162 /nfs/dbraw/zinc/08/21/62/412082162.db2.gz RVWOFMLASURNBT-YPMHNXCESA-N 2 0 225.380 1.045 20 0 BDADRP FCC[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000662312187 412094115 /nfs/dbraw/zinc/09/41/15/412094115.db2.gz XAZLQCWLYBTLIF-NWDGAFQWSA-N 2 0 214.328 1.668 20 0 BDADRP C[C@@H]1CCC[N@H+](C[C@H]2CCOC2)[C@@H]1CCC[NH3+] ZINC000662314378 412096674 /nfs/dbraw/zinc/09/66/74/412096674.db2.gz CFHGSXHEPAYOSA-MGPQQGTHSA-N 2 0 240.391 1.862 20 0 BDADRP C[C@@H]1CCC[N@H+](CCC[NH3+])[C@@H]1CCC[NH3+] ZINC000662317271 412097845 /nfs/dbraw/zinc/09/78/45/412097845.db2.gz PMGQXJNLHFDAKF-VXGBXAGGSA-N 3 0 213.369 1.175 20 0 BDADRP c1cnc2c(n1)CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000662317983 412099010 /nfs/dbraw/zinc/09/90/10/412099010.db2.gz VJGWQNQFYLVJBK-LBPRGKRZSA-N 2 0 246.358 1.224 20 0 BDADRP CC[C@H](C)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321250 412099773 /nfs/dbraw/zinc/09/97/73/412099773.db2.gz ABDOHHFZIOJOOE-STQMWFEESA-N 2 0 228.380 1.828 20 0 BDADRP CC(C)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319928 412100692 /nfs/dbraw/zinc/10/06/92/412100692.db2.gz QSWXCPJDBLBMOX-LBPRGKRZSA-N 2 0 214.353 1.437 20 0 BDADRP C[N@H+](CCC1CC[NH2+]CC1)CC1=CCSC1 ZINC000662327307 412104489 /nfs/dbraw/zinc/10/44/89/412104489.db2.gz MVXVOVPAUHCJBG-UHFFFAOYSA-N 2 0 240.416 1.981 20 0 BDADRP CC[C@H]([NH2+]C)C(=O)Nc1cccc(C[NH3+])c1 ZINC000662393280 412143111 /nfs/dbraw/zinc/14/31/11/412143111.db2.gz SHKUZWWESRTAMV-NSHDSACASA-N 2 0 221.304 1.082 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000665236813 412177001 /nfs/dbraw/zinc/17/70/01/412177001.db2.gz VBTIMUMDIFLIKX-SDDRHHMPSA-N 2 0 227.396 1.575 20 0 BDADRP [NH3+][C@H]1C[C@H](N[C@H]2CC[NH2+]C2)c2ccccc21 ZINC000665241778 412184526 /nfs/dbraw/zinc/18/45/26/412184526.db2.gz YXWXOGOOMSBLPT-XDTLVQLUSA-N 2 0 217.316 1.083 20 0 BDADRP FC1(F)C[C@H]1OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000665244073 412187160 /nfs/dbraw/zinc/18/71/60/412187160.db2.gz FXLZISSKLUIJQA-KJLIAQIISA-N 2 0 246.301 1.283 20 0 BDADRP [NH3+]CC1CCC([NH2+]CCO[C@@H]2CC2(F)F)CC1 ZINC000665243886 412187728 /nfs/dbraw/zinc/18/77/28/412187728.db2.gz APIMTDCBGGDTIS-VQXHTEKXSA-N 2 0 248.317 1.518 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1NCC1([NH3+])CCCC1 ZINC000665246689 412191289 /nfs/dbraw/zinc/19/12/89/412191289.db2.gz LORQHYSPJDATNZ-NWDGAFQWSA-N 2 0 225.380 1.508 20 0 BDADRP C[C@H](CC[NH3+])NC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662552895 412214965 /nfs/dbraw/zinc/21/49/65/412214965.db2.gz UZORQYZPQKSTQM-ZWNOBZJWSA-N 2 0 247.342 1.075 20 0 BDADRP COC[C@@H]([NH2+]CC1([NH3+])CCCC1)C(C)C ZINC000665248949 412195506 /nfs/dbraw/zinc/19/55/06/412195506.db2.gz GJUAOZSMZUQNFQ-LLVKDONJSA-N 2 0 214.353 1.519 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCc1ccoc1 ZINC000665263553 412207195 /nfs/dbraw/zinc/20/71/95/412207195.db2.gz OZIJIFRGYMDWDF-NEPJUHHUSA-N 2 0 208.305 1.539 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCc1ccoc1 ZINC000665263554 412208001 /nfs/dbraw/zinc/20/80/01/412208001.db2.gz OZIJIFRGYMDWDF-NWDGAFQWSA-N 2 0 208.305 1.539 20 0 BDADRP C[C@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1(F)F ZINC000665265565 412208648 /nfs/dbraw/zinc/20/86/48/412208648.db2.gz YJATZHISLJTOOW-KJLIAQIISA-N 2 0 230.302 1.904 20 0 BDADRP CC[C@@H]([NH2+]C)C(=O)Nc1ccccc1C[NH2+]C ZINC000662399251 412147116 /nfs/dbraw/zinc/14/71/16/412147116.db2.gz QOGOJEORKRDBPS-LLVKDONJSA-N 2 0 235.331 1.343 20 0 BDADRP Cc1cncc(CC[NH2+][C@H](C)C[C@H](C)[NH3+])n1 ZINC000665273780 412213884 /nfs/dbraw/zinc/21/38/84/412213884.db2.gz DFUSNABRKRTYTE-VHSXEESVSA-N 2 0 222.336 1.043 20 0 BDADRP C[NH+](C)CCNc1ccc(C2=CC[NH2+]CC2)cn1 ZINC000629722848 412161907 /nfs/dbraw/zinc/16/19/07/412161907.db2.gz FMRYQAZOEJXODZ-UHFFFAOYSA-N 2 0 246.358 1.432 20 0 BDADRP COC1CC(CC[NH2+][C@H](C)C[C@@H](C)[NH3+])C1 ZINC000665229774 412168697 /nfs/dbraw/zinc/16/86/97/412168697.db2.gz CHOBACVEXJFRDT-QYNFOATHSA-N 2 0 214.353 1.517 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000422748082 412173452 /nfs/dbraw/zinc/17/34/52/412173452.db2.gz RVTYXAUTYQXZPN-OFTGVCEQSA-N 2 0 224.348 1.413 20 0 BDADRP CCC[N@@H+]1CC[C@@H](N[C@@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000665274610 412216988 /nfs/dbraw/zinc/21/69/88/412216988.db2.gz UKMZCXYTGMCUMS-XQQFMLRXSA-N 2 0 225.380 1.201 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000665274244 412217216 /nfs/dbraw/zinc/21/72/16/412217216.db2.gz MGQZTSFFPDPSFV-HZSPNIEDSA-N 2 0 239.407 1.448 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])C1CCCC1 ZINC000665275272 412219001 /nfs/dbraw/zinc/21/90/01/412219001.db2.gz GLCOPAVVXMGGQT-HZSPNIEDSA-N 2 0 240.391 1.909 20 0 BDADRP CO[C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])C1CCCC1 ZINC000665275203 412219715 /nfs/dbraw/zinc/21/97/15/412219715.db2.gz FFIBBJZQQOCHCN-DMDPSCGWSA-N 2 0 228.380 1.907 20 0 BDADRP CO[C@H](C[NH2+][C@@H](C)C1C[NH2+]C1)C1CCCC1 ZINC000665275524 412219980 /nfs/dbraw/zinc/21/99/80/412219980.db2.gz MJOYAWJSWIAWCJ-GXFFZTMASA-N 2 0 226.364 1.389 20 0 BDADRP CC(C)[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)C1CC1 ZINC000665277492 412221915 /nfs/dbraw/zinc/22/19/15/412221915.db2.gz CPGUEFOTICTBGW-YXMLORGKSA-N 2 0 208.349 1.763 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC000665279986 412224203 /nfs/dbraw/zinc/22/42/03/412224203.db2.gz QUGQVWIKVSTXKP-QBHFIFKDSA-N 2 0 224.348 1.286 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000665281773 412224708 /nfs/dbraw/zinc/22/47/08/412224708.db2.gz KOENTXNFXWZTKR-YNEHKIRRSA-N 2 0 227.396 1.338 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@@H](C)c1c[nH+]ccc1N ZINC000665281367 412226747 /nfs/dbraw/zinc/22/67/47/412226747.db2.gz AJVUNRNIVBBOBL-CMPLNLGQSA-N 2 0 236.363 1.518 20 0 BDADRP Cc1n[nH]cc1[C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000665281315 412226873 /nfs/dbraw/zinc/22/68/73/412226873.db2.gz ZNBWKLOYLNSHRR-JOYOIKCWSA-N 2 0 224.352 1.742 20 0 BDADRP COCCC[C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000665280856 412227038 /nfs/dbraw/zinc/22/70/38/412227038.db2.gz NCQUTENIUKVBRK-VXGBXAGGSA-N 2 0 216.369 1.765 20 0 BDADRP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000665298126 412246306 /nfs/dbraw/zinc/24/63/06/412246306.db2.gz SEXXYDTXBKJJCX-RFQIPJPRSA-N 2 0 240.391 1.779 20 0 BDADRP C[NH2+]C[C@H](C)N[C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000665298860 412248673 /nfs/dbraw/zinc/24/86/73/412248673.db2.gz AZQNPOSRGJMPMJ-SCRDCRAPSA-N 2 0 235.375 1.142 20 0 BDADRP CC(C)[C@H](C(=O)NCC[C@H](C)[NH+](C)C)[C@H](C)[NH3+] ZINC000662636624 412252541 /nfs/dbraw/zinc/25/25/41/412252541.db2.gz ZYXPAXYLYFSZEA-SRVKXCTJSA-N 2 0 243.395 1.062 20 0 BDADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000662927168 412348622 /nfs/dbraw/zinc/34/86/22/412348622.db2.gz UOJVWMAIEUDHLJ-VXGBXAGGSA-N 2 0 243.395 1.062 20 0 BDADRP C[C@H](CCCC[NH3+])NC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662778070 412299986 /nfs/dbraw/zinc/29/99/86/412299986.db2.gz CTGITCXXDUPIRM-GHMZBOCLSA-N 2 0 241.379 1.008 20 0 BDADRP CCc1nocc1CN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000339286274 172101147 /nfs/dbraw/zinc/10/11/47/172101147.db2.gz XQPQSBOPFBIVOK-ZYHUDNBSSA-N 2 0 237.347 1.809 20 0 BDADRP CCn1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cn1 ZINC000130891491 172166659 /nfs/dbraw/zinc/16/66/59/172166659.db2.gz CJBOWHNMVTVDFL-MJBXVCDLSA-N 2 0 248.374 1.462 20 0 BDADRP C[NH+](C)C(C)(C)CNC(=[NH2+])Nc1ccccc1 ZINC000052048759 172393514 /nfs/dbraw/zinc/39/35/14/172393514.db2.gz KZFDKCDLGCRKGF-UHFFFAOYSA-N 2 0 234.347 1.963 20 0 BDADRP C[N@H+](CC[C@H]1CCCC[NH+]1C)[C@@H]1CCC[C@H]1O ZINC000352669586 173004393 /nfs/dbraw/zinc/00/43/93/173004393.db2.gz BBJDJFMQACOZJA-MGPQQGTHSA-N 2 0 240.391 1.706 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH2+][C@H](CO)C(C)(C)C ZINC000309555869 173054562 /nfs/dbraw/zinc/05/45/62/173054562.db2.gz JQRFOFSOCJEKHK-NWDGAFQWSA-N 2 0 228.380 1.467 20 0 BDADRP C[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCSC2)C1 ZINC000061588223 173146792 /nfs/dbraw/zinc/14/67/92/173146792.db2.gz NOFHWFNVOUCDJN-GHMZBOCLSA-N 2 0 214.378 1.423 20 0 BDADRP C[N@H+]1C[C@@H]2C[NH+](CCOC3CCC3)C[C@@H]2C1 ZINC000376504935 173198223 /nfs/dbraw/zinc/19/82/23/173198223.db2.gz FMXWDRXGKHARKZ-TXEJJXNPSA-N 2 0 224.348 1.049 20 0 BDADRP CNC(=O)C(C)(C)C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000331978370 173220376 /nfs/dbraw/zinc/22/03/76/173220376.db2.gz MDSYIZVRTQUHON-GHMZBOCLSA-N 2 0 241.379 1.008 20 0 BDADRP C[NH2+]C1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000044981993 173322474 /nfs/dbraw/zinc/32/24/74/173322474.db2.gz DSXCRIOWPUWFOH-NSHDSACASA-N 2 0 212.337 1.097 20 0 BDADRP C[NH2+]CC(=O)Nc1ccc(C)cc1C[NH+](C)C ZINC000237281077 173333620 /nfs/dbraw/zinc/33/36/20/173333620.db2.gz KSYJSJDHMMAZSO-UHFFFAOYSA-N 2 0 235.331 1.215 20 0 BDADRP C[NH2+]CCC1CC[NH+](CCOCC(C)C)CC1 ZINC000234346348 173343216 /nfs/dbraw/zinc/34/32/16/173343216.db2.gz GTXJPTUFQFVGSO-UHFFFAOYSA-N 2 0 242.407 1.981 20 0 BDADRP C[NH2+]CCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000121181656 173349145 /nfs/dbraw/zinc/34/91/45/173349145.db2.gz OSZZQIIJOBRINZ-UHFFFAOYSA-N 2 0 249.358 1.088 20 0 BDADRP C[NH2+]C[C@H]1CCN(CCC(F)(F)F)C1 ZINC000063100464 173380559 /nfs/dbraw/zinc/38/05/59/173380559.db2.gz IEQRTCYLETXMLI-MRVPVSSYSA-N 2 0 210.243 1.480 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000053033143 173381793 /nfs/dbraw/zinc/38/17/93/173381793.db2.gz JZDLYSKDBHDECT-NEPJUHHUSA-N 2 0 212.337 1.097 20 0 BDADRP COC(C)(C)[C@@H](C)[NH2+]CCCC[NH+](C)C ZINC000300919288 173949507 /nfs/dbraw/zinc/94/95/07/173949507.db2.gz DSFHDERBMPRADM-LLVKDONJSA-N 2 0 216.369 1.731 20 0 BDADRP COCC(C)(C)C[NH2+]C[C@H](C)N(C)C1CC1 ZINC000336753099 174073226 /nfs/dbraw/zinc/07/32/26/174073226.db2.gz DQBIWKYMLWWQIE-NSHDSACASA-N 2 0 228.380 1.731 20 0 BDADRP COCC1(C[NH2+]CC(C)(C)C)CC[NH2+]CC1 ZINC000234619577 174103623 /nfs/dbraw/zinc/10/36/23/174103623.db2.gz WNNCLWWJGBBHIE-UHFFFAOYSA-N 2 0 228.380 1.638 20 0 BDADRP COCCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000234683735 174143834 /nfs/dbraw/zinc/14/38/34/174143834.db2.gz CLANIFQQQCRZFA-VXGBXAGGSA-N 2 0 228.380 1.766 20 0 BDADRP COCCC1(C[NH2+][C@@H](C)CCCC[NH3+])CC1 ZINC000309341413 174156557 /nfs/dbraw/zinc/15/65/57/174156557.db2.gz KTBQUJIWSORYMS-LBPRGKRZSA-N 2 0 228.380 1.910 20 0 BDADRP COCCCCC[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000336745057 174179156 /nfs/dbraw/zinc/17/91/56/174179156.db2.gz QMJXUTWMQSSCLL-NEPJUHHUSA-N 2 0 214.353 1.472 20 0 BDADRP COCCC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000368319260 174232268 /nfs/dbraw/zinc/23/22/68/174232268.db2.gz WATKNMNSGGZRFY-LBPRGKRZSA-N 2 0 212.337 1.051 20 0 BDADRP COCCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339439195 174232707 /nfs/dbraw/zinc/23/27/07/174232707.db2.gz ZPBXXHYYWNWUHR-ZDUSSCGKSA-N 2 0 226.364 1.441 20 0 BDADRP COCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000101601101 174250839 /nfs/dbraw/zinc/25/08/39/174250839.db2.gz RUCONMVFPSLODG-QJPTWQEYSA-N 2 0 214.353 1.341 20 0 BDADRP COCC[C@@H](C)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357048560 174378006 /nfs/dbraw/zinc/37/80/06/174378006.db2.gz KOMJUELSXUWNRE-OCCSQVGLSA-N 2 0 240.391 1.733 20 0 BDADRP COCC[C@@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000045018345 174382876 /nfs/dbraw/zinc/38/28/76/174382876.db2.gz WVRBCLUUPYMZNR-CYBMUJFWSA-N 2 0 228.380 1.877 20 0 BDADRP COCC[C@@H](C)[NH2+]CCC1CC[NH+](C)CC1 ZINC000122142251 174383069 /nfs/dbraw/zinc/38/30/69/174383069.db2.gz JMCYCKRDTCXRRB-GFCCVEGCSA-N 2 0 228.380 1.733 20 0 BDADRP COc1ccc(C)cc1C[NH2+]CCCC[NH3+] ZINC000037715337 175076282 /nfs/dbraw/zinc/07/62/82/175076282.db2.gz PJSOGUPWGPIGTB-UHFFFAOYSA-N 2 0 222.332 1.832 20 0 BDADRP COc1ccc(CC[NH2+][C@H](C)CCC[NH3+])cc1 ZINC000310284990 175091869 /nfs/dbraw/zinc/09/18/69/175091869.db2.gz QKOONUZIXFMNOA-GFCCVEGCSA-N 2 0 236.359 1.955 20 0 BDADRP COc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000128849426 175112003 /nfs/dbraw/zinc/11/20/03/175112003.db2.gz OXLVXLFNODZKII-ZDUSSCGKSA-N 2 0 234.343 1.927 20 0 BDADRP COc1cccc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000107936008 175260189 /nfs/dbraw/zinc/26/01/89/175260189.db2.gz PQSUTFOCNBHPOK-AAEUAGOBSA-N 2 0 234.343 1.864 20 0 BDADRP COc1ccccc1C1(C[NH3+])CC[NH2+]CC1 ZINC000071522611 175319827 /nfs/dbraw/zinc/31/98/27/175319827.db2.gz FODMGJOTJCZVTA-UHFFFAOYSA-N 2 0 220.316 1.275 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CO[C@H](C3CC3)C2)C1 ZINC000668294744 487630903 /nfs/dbraw/zinc/63/09/03/487630903.db2.gz BTUCOMQICDDVOT-ZZVYKPCYSA-N 2 0 238.375 1.484 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CCN1CCSCC1 ZINC000309395053 175663530 /nfs/dbraw/zinc/66/35/30/175663530.db2.gz SRLJLMQBFKMPAD-LBPRGKRZSA-N 2 0 245.436 1.142 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)C1 ZINC000668294743 487631252 /nfs/dbraw/zinc/63/12/52/487631252.db2.gz BTUCOMQICDDVOT-SCUASFONSA-N 2 0 238.375 1.484 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CO[C@H](C3CC3)C2)C1 ZINC000668294741 487631360 /nfs/dbraw/zinc/63/13/60/487631360.db2.gz BTUCOMQICDDVOT-DEQVHRJGSA-N 2 0 238.375 1.484 20 0 BDADRP C[C@@H](c1cccnc1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000122318668 176030632 /nfs/dbraw/zinc/03/06/32/176030632.db2.gz WYJDESBQTYMWOO-WOPDTQHZSA-N 2 0 219.332 1.812 20 0 BDADRP C[C@@H]1CC([NH2+][C@@H]2CCN(C)C2)C[C@@H](C)O1 ZINC000096033769 176055626 /nfs/dbraw/zinc/05/56/26/176055626.db2.gz SVGGRQLLHSQLCK-GMTAPVOTSA-N 2 0 212.337 1.236 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccnc1 ZINC000335039029 176185681 /nfs/dbraw/zinc/18/56/81/176185681.db2.gz KYGBZWYRAXWJQQ-YPMHNXCESA-N 2 0 219.332 1.559 20 0 BDADRP C[C@@H]1CC[C@@H](C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)O1 ZINC000336713033 176203316 /nfs/dbraw/zinc/20/33/16/176203316.db2.gz OCHACNPZQKRABO-RDBSUJKOSA-N 2 0 238.375 1.582 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@](C)(O)C1CC1 ZINC000309829445 176268341 /nfs/dbraw/zinc/26/83/41/176268341.db2.gz YDRFRUJSRMMOSU-WXHSDQCUSA-N 2 0 226.364 1.077 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCC1CC(O)C1 ZINC000309803730 176269409 /nfs/dbraw/zinc/26/94/09/176269409.db2.gz RQTITTXLHOGSLX-XVSSEFHLSA-N 2 0 226.364 1.077 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC[C@H]1CCOC1 ZINC000336781325 176270047 /nfs/dbraw/zinc/27/00/47/176270047.db2.gz UJKXKOLGFDOWOF-AGIUHOORSA-N 2 0 226.364 1.343 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cccc(CO)c1 ZINC000361184538 176270968 /nfs/dbraw/zinc/27/09/68/176270968.db2.gz SIWYSGKGQUFRHK-IUODEOHRSA-N 2 0 248.370 1.609 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000367712370 176278471 /nfs/dbraw/zinc/27/84/71/176278471.db2.gz JKDKGLTVUUNYKY-KJKVDNPUSA-N 2 0 238.375 1.197 20 0 BDADRP C[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)CCS1 ZINC000123521495 176287622 /nfs/dbraw/zinc/28/76/22/176287622.db2.gz XKIYMKMUBWUGKO-LLVKDONJSA-N 2 0 228.405 1.813 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)[C@H](C)CO1 ZINC000251630634 176294081 /nfs/dbraw/zinc/29/40/81/176294081.db2.gz IJCXMGYUXOSRLV-JHJVBQTASA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)[C@H](C)CO1 ZINC000251581777 176294813 /nfs/dbraw/zinc/29/48/13/176294813.db2.gz FBMCHMWCWZBNHS-IJLUTSLNSA-N 2 0 212.337 1.095 20 0 BDADRP C[C@@H]1C[NH+](CC[C@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000227645991 176294887 /nfs/dbraw/zinc/29/48/87/176294887.db2.gz WJPBEEFZFZURDJ-IJLUTSLNSA-N 2 0 212.337 1.095 20 0 BDADRP C[C@@H]1CSC[C@H]1[NH2+]CCCC[NH+](C)C ZINC000336687401 176355035 /nfs/dbraw/zinc/35/50/35/176355035.db2.gz MTOHBQZGKCIVLV-GHMZBOCLSA-N 2 0 216.394 1.669 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1C[C@@H]1CCSC1 ZINC000224622268 176367419 /nfs/dbraw/zinc/36/74/19/176367419.db2.gz AVZOJQYGYCJSHS-VWYCJHECSA-N 2 0 214.378 1.409 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccc(O)c1 ZINC000126771514 176367494 /nfs/dbraw/zinc/36/74/94/176367494.db2.gz OWTMIZDXPMWYME-PWSUYJOCSA-N 2 0 220.316 1.561 20 0 BDADRP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CCCCO2)CCN1C ZINC000123272665 176370414 /nfs/dbraw/zinc/37/04/14/176370414.db2.gz QSMXXSKFLGZIMH-RDBSUJKOSA-N 2 0 240.391 1.970 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCc2ccccn2)CC[N@@H+]1C ZINC000129522402 176376838 /nfs/dbraw/zinc/37/68/38/176376838.db2.gz PMHDAMZRJLRMEV-OCCSQVGLSA-N 2 0 233.359 1.696 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000309450693 176619968 /nfs/dbraw/zinc/61/99/68/176619968.db2.gz PWVOGXJWYCAALY-GFCCVEGCSA-N 3 0 227.396 1.435 20 0 BDADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])C1CCOCC1 ZINC000235523104 176919619 /nfs/dbraw/zinc/91/96/19/176919619.db2.gz RZDRSMSCOIAQDU-YUTCNCBUSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@H](c1ccc(F)cc1)[N@H+](C)CCOCC[NH3+] ZINC000357031647 177033892 /nfs/dbraw/zinc/03/38/92/177033892.db2.gz RATGSEXHLMIOLH-LLVKDONJSA-N 2 0 240.322 1.794 20 0 BDADRP C[C@@H]1CC(O)C[C@H](C)[N@H+]1CCn1ccnc1 ZINC000191176381 177066515 /nfs/dbraw/zinc/06/65/15/177066515.db2.gz XPINUPNJFMNPMT-FOSCPWQOSA-N 2 0 223.320 1.117 20 0 BDADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)C(C)(C)[NH3+] ZINC000040920154 177075842 /nfs/dbraw/zinc/07/58/42/177075842.db2.gz CYBUXGHQQNBAOZ-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1ccccc1O ZINC000358220657 177233791 /nfs/dbraw/zinc/23/37/91/177233791.db2.gz KLMXMCYBADNWOO-GXTWGEPZSA-N 2 0 248.370 1.865 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)CCO1 ZINC000356670333 177233823 /nfs/dbraw/zinc/23/38/23/177233823.db2.gz FVJKSZYKLOVAGQ-REWJHTLYSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@H]1C[N@H+](CCC2CC[NH2+]CC2)CCS1 ZINC000123521630 177247120 /nfs/dbraw/zinc/24/71/20/177247120.db2.gz XKIYMKMUBWUGKO-NSHDSACASA-N 2 0 228.405 1.813 20 0 BDADRP C[C@H]1C[N@H+](CCc2cccnc2)CC[C@@H]1[NH3+] ZINC000049712932 177254266 /nfs/dbraw/zinc/25/42/66/177254266.db2.gz ZRDQUJUQLMWZKT-AAEUAGOBSA-N 2 0 219.332 1.293 20 0 BDADRP C[C@H]1COCC[C@H]1[NH2+]CCCC[NH+](C)C ZINC000300802244 177296242 /nfs/dbraw/zinc/29/62/42/177296242.db2.gz FDQYRRBLTWYDSI-NWDGAFQWSA-N 2 0 214.353 1.343 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C[C@@](C)(O)C[NH+](C)C)C[C@@H](C)C1 ZINC000300408434 177318021 /nfs/dbraw/zinc/31/80/21/177318021.db2.gz ILZNGVSOAZAIHE-ZOBORPQBSA-N 2 0 242.407 1.713 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C[C@@]2(O)CCN(C)C2)C[C@@H](C)C1 ZINC000358171240 177318495 /nfs/dbraw/zinc/31/84/95/177318495.db2.gz SYUVQBCWJORDRU-DGAVXFQQSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@H]1C[C@@H](C[NH3+])CN1CC(=O)Nc1ccccc1 ZINC000131604332 177324134 /nfs/dbraw/zinc/32/41/34/177324134.db2.gz NUVYKOBCHUWADO-RYUDHWBXSA-N 2 0 247.342 1.294 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CCO1 ZINC000356677980 177331885 /nfs/dbraw/zinc/33/18/85/177331885.db2.gz DXJUJPGQRSFIOE-DGAVXFQQSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCSCCCO)CC[N@@H+]1C ZINC000151180344 177332057 /nfs/dbraw/zinc/33/20/57/177332057.db2.gz ZDAVWRCUUHIYIW-RYUDHWBXSA-N 2 0 246.420 1.174 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCn1ccnc1 ZINC000041119545 177332495 /nfs/dbraw/zinc/33/24/95/177332495.db2.gz QNZZIYSCIVTMEZ-FRRDWIJNSA-N 2 0 236.363 1.201 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]Cc2ccn(C)c2)CC[N@@H+]1C ZINC000156609918 177334204 /nfs/dbraw/zinc/33/42/04/177334204.db2.gz GFNDAEOGPGMGDF-AAEUAGOBSA-N 2 0 221.348 1.597 20 0 BDADRP C[C@H]1C[C@@H](c2ccc(F)cc2)CN1CC[NH3+] ZINC000083039062 177338479 /nfs/dbraw/zinc/33/84/79/177338479.db2.gz RYZCTIBSXYQKDO-CMPLNLGQSA-N 2 0 222.307 1.962 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCN2CCCC2)CN1C1CC1 ZINC000128514275 177369299 /nfs/dbraw/zinc/36/92/99/177369299.db2.gz VYILAFMUQYUVPW-STQMWFEESA-N 2 0 237.391 1.297 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCC2CCOCC2)CC[N@@H+]1C ZINC000310332223 177369595 /nfs/dbraw/zinc/36/95/95/177369595.db2.gz ZAFYAAJESYRAEK-GXTWGEPZSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H](Cc1cnccn1)[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000360859760 177372085 /nfs/dbraw/zinc/37/20/85/177372085.db2.gz OEKSEDNANPZBDU-FRRDWIJNSA-N 2 0 248.374 1.480 20 0 BDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000495056734 226275252 /nfs/dbraw/zinc/27/52/52/226275252.db2.gz DJXJUMSJVPVNII-RFQIPJPRSA-N 2 0 239.407 1.256 20 0 BDADRP C[C@H]([NH2+]CCCC[NH+](C)C)[C@H]1CCC[NH2+]1 ZINC000400360839 226341706 /nfs/dbraw/zinc/34/17/06/226341706.db2.gz DARINEFCCJOTEL-NWDGAFQWSA-N 3 0 213.369 1.058 20 0 BDADRP C[C@H]([NH2+][C@H](CO)C1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000400421723 226343537 /nfs/dbraw/zinc/34/35/37/226343537.db2.gz XBOHWZAOIBTCFG-WCFLWFBJSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@@H]([NH2+]CC(C)(C)CCCO)[C@@H]1CCC[NH2+]1 ZINC000400464196 226344156 /nfs/dbraw/zinc/34/41/56/226344156.db2.gz SIKXITQALNNFRM-NEPJUHHUSA-N 2 0 228.380 1.515 20 0 BDADRP COCC1(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)CCC1 ZINC000400491941 226344811 /nfs/dbraw/zinc/34/48/11/226344811.db2.gz ZNEWWMCLJDQVCZ-VXGBXAGGSA-N 2 0 226.364 1.533 20 0 BDADRP CSC1(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000400510601 226345381 /nfs/dbraw/zinc/34/53/81/226345381.db2.gz IXEGKMBURBQHKV-ZJUUUORDSA-N 2 0 214.378 1.612 20 0 BDADRP C[C@H](N[C@@H]1CCO[C@H]1C1CC1)[C@@H]1CCC[NH2+]1 ZINC000400748296 226351233 /nfs/dbraw/zinc/35/12/33/226351233.db2.gz UYTZWNWYQXJXSB-SYEHKZFSSA-N 2 0 224.348 1.284 20 0 BDADRP Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])nc1 ZINC000400881671 226352284 /nfs/dbraw/zinc/35/22/84/226352284.db2.gz YLBKXFNOCYBESO-TZMCWYRMSA-N 2 0 233.359 1.997 20 0 BDADRP C[NH2+]CCCN(C)CC[NH+]1CCCCC1 ZINC000087472665 487660503 /nfs/dbraw/zinc/66/05/03/487660503.db2.gz NJZUHICKBOXLBB-UHFFFAOYSA-N 2 0 213.369 1.014 20 0 BDADRP c1cc(CCC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000680882713 487663585 /nfs/dbraw/zinc/66/35/85/487663585.db2.gz NCJMMGYMPDSUGC-KBPBESRZSA-N 2 0 231.343 1.165 20 0 BDADRP C[C@H]1CCCC[C@@H]1OCCN1CC[C@H]([NH3+])C1 ZINC000431087787 487665586 /nfs/dbraw/zinc/66/55/86/487665586.db2.gz BQNLMPMLPLCNGA-AVGNSLFASA-N 2 0 226.364 1.615 20 0 BDADRP Cc1ncccc1C[NH2+]C1CCC([NH3+])CC1 ZINC000221744233 487673805 /nfs/dbraw/zinc/67/38/05/487673805.db2.gz GDQDMFTUZMFORA-UHFFFAOYSA-N 2 0 219.332 1.750 20 0 BDADRP C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000308900428 487692884 /nfs/dbraw/zinc/69/28/84/487692884.db2.gz DVSSEIQTJWBEFJ-WHOHXGKFSA-N 2 0 228.405 1.988 20 0 BDADRP C[C@@H](CC(=O)N(C)C)[NH2+]CC1([NH3+])CCCCC1 ZINC000414837994 487693838 /nfs/dbraw/zinc/69/38/38/487693838.db2.gz HXNVJWCFEVWXCU-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP Cc1cncc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000228620357 487694354 /nfs/dbraw/zinc/69/43/54/487694354.db2.gz YHHPRIOPMSXTIP-OCCSQVGLSA-N 2 0 233.359 1.949 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)C[C@H]1CCOC1 ZINC000398885346 262771852 /nfs/dbraw/zinc/77/18/52/262771852.db2.gz KJAGTAXMBZDCIW-QWHCGFSZSA-N 2 0 226.364 1.344 20 0 BDADRP CCCN1CC[C@H]([NH2+][C@@H](C)[C@@H]2CCOC2)C1 ZINC000328507075 487700608 /nfs/dbraw/zinc/70/06/08/487700608.db2.gz LPCOJCHDOWQBEJ-XQQFMLRXSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H](CCCC[NH3+])NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653142002 487702387 /nfs/dbraw/zinc/70/23/87/487702387.db2.gz XSIYNZDWYYAVBK-RYUDHWBXSA-N 2 0 241.379 1.010 20 0 BDADRP COc1ccccc1CC[NH2+]CCC[NH3+] ZINC000163279924 487708149 /nfs/dbraw/zinc/70/81/49/487708149.db2.gz NPPAXMRKZDKQGC-UHFFFAOYSA-N 2 0 208.305 1.176 20 0 BDADRP CC[C@H](C)C[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000088297952 487717524 /nfs/dbraw/zinc/71/75/24/487717524.db2.gz YEFDFEMXLICZAT-MJBXVCDLSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)[C@H](C)CO ZINC000228725601 487719089 /nfs/dbraw/zinc/71/90/89/487719089.db2.gz XLWMIQIIFHDQCX-UPJWGTAASA-N 2 0 228.380 1.467 20 0 BDADRP CC[NH+]1CCC(NC[C@H]2CCCC[NH2+]2)CC1 ZINC000233469615 487719107 /nfs/dbraw/zinc/71/91/07/487719107.db2.gz DQZQEGUBBKOSQI-CYBMUJFWSA-N 2 0 225.380 1.202 20 0 BDADRP COCC[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000336717784 487721123 /nfs/dbraw/zinc/72/11/23/487721123.db2.gz YHQAWUMSEZQVSP-VXGBXAGGSA-N 2 0 212.337 1.097 20 0 BDADRP Cc1cncc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000228783561 487724609 /nfs/dbraw/zinc/72/46/09/487724609.db2.gz IOJDICGHYJSJKG-NSHDSACASA-N 2 0 205.305 1.171 20 0 BDADRP CCO[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000250534398 487734377 /nfs/dbraw/zinc/73/43/77/487734377.db2.gz SRBCDBYEKNDQBF-ZIAGYGMSSA-N 2 0 240.391 1.877 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000250654749 487737785 /nfs/dbraw/zinc/73/77/85/487737785.db2.gz NLZAXWDGLWIDGP-ZOBORPQBSA-N 2 0 237.391 1.473 20 0 BDADRP CC[C@H](O)C[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000234060332 487759117 /nfs/dbraw/zinc/75/91/17/487759117.db2.gz XWHIZTMYXDHHDU-ZDUSSCGKSA-N 2 0 228.380 1.467 20 0 BDADRP COC[C@H](C)C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000253200576 487763169 /nfs/dbraw/zinc/76/31/69/487763169.db2.gz XCXTZMWZWJIXEH-GRYCIOLGSA-N 2 0 214.353 1.186 20 0 BDADRP CC[C@H](C)[C@](C)(O)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000675875593 487784912 /nfs/dbraw/zinc/78/49/12/487784912.db2.gz YVFCGOBXQZIEIB-RFQIPJPRSA-N 2 0 242.407 1.856 20 0 BDADRP CO[C@H](C)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000223866133 487798384 /nfs/dbraw/zinc/79/83/84/487798384.db2.gz YPZVJCODTWSTJS-GHMZBOCLSA-N 2 0 214.353 1.341 20 0 BDADRP C([C@H]1CC[N@@H+]([C@@H]2CCCOC2)C1)[NH+]1CCCC1 ZINC000674303621 487801560 /nfs/dbraw/zinc/80/15/60/487801560.db2.gz XNXJZJVWYMVRMH-ZIAGYGMSSA-N 2 0 238.375 1.583 20 0 BDADRP Cn1cccc1[C@H]1CCC[N@@H+]1CCC[NH3+] ZINC000414685452 487817707 /nfs/dbraw/zinc/81/77/07/487817707.db2.gz ZFOCYALGLSHCHQ-GFCCVEGCSA-N 2 0 207.321 1.511 20 0 BDADRP C[C@H]1CC[N@H+](CCC[NH3+])C[C@@H]1n1ccnc1 ZINC000414709018 487818554 /nfs/dbraw/zinc/81/85/54/487818554.db2.gz OKPLVPBWFGQAKQ-RYUDHWBXSA-N 2 0 222.336 1.115 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC000414913983 487827907 /nfs/dbraw/zinc/82/79/07/487827907.db2.gz JYVWYQVMODBNFC-FDYHWXHSSA-N 3 0 225.380 1.234 20 0 BDADRP CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000414924716 487829348 /nfs/dbraw/zinc/82/93/48/487829348.db2.gz KIHBWJRALOPHRD-NWDGAFQWSA-N 2 0 249.358 1.840 20 0 BDADRP CC[N@@H+]1CC[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)[C@H](C)C1 ZINC000414921793 487829418 /nfs/dbraw/zinc/82/94/18/487829418.db2.gz FWNHTLUWVGMRSN-RQJABVFESA-N 3 0 239.407 1.576 20 0 BDADRP OCC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000252697141 487829484 /nfs/dbraw/zinc/82/94/84/487829484.db2.gz FPQMGPQBOGQSKO-YNEHKIRRSA-N 2 0 238.375 1.269 20 0 BDADRP CCCn1cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000414929583 487830051 /nfs/dbraw/zinc/83/00/51/487830051.db2.gz RUEGJSWWKXRKQL-QWHCGFSZSA-N 2 0 236.363 1.653 20 0 BDADRP COc1cc(C)nc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000414934163 487830984 /nfs/dbraw/zinc/83/09/84/487830984.db2.gz XTFBREJTQLZVGT-RYUDHWBXSA-N 2 0 249.358 1.758 20 0 BDADRP C[C@H](CO)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000121029994 490073647 /nfs/dbraw/zinc/07/36/47/490073647.db2.gz RKGFBIOCJDOXAH-QWHCGFSZSA-N 2 0 226.364 1.033 20 0 BDADRP CCc1ccccc1[C@H]([NH3+])CNCCC[NH3+] ZINC000415063275 487835139 /nfs/dbraw/zinc/83/51/39/487835139.db2.gz HNSWIVCZYUWEAI-CYBMUJFWSA-N 2 0 221.348 1.187 20 0 BDADRP Cc1cccc(C)c1CC[NH2+]CCC[NH3+] ZINC000415091306 487837363 /nfs/dbraw/zinc/83/73/63/487837363.db2.gz YWNTZIOHIMLVHG-UHFFFAOYSA-N 2 0 206.333 1.784 20 0 BDADRP [NH3+]CCC[NH2+]Cc1ccc(Cn2cccn2)cc1 ZINC000415122100 487838384 /nfs/dbraw/zinc/83/83/84/487838384.db2.gz NJESHPFTPHLCOK-UHFFFAOYSA-N 2 0 244.342 1.370 20 0 BDADRP C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CCC[NH3+] ZINC000666654514 487852030 /nfs/dbraw/zinc/85/20/30/487852030.db2.gz LVDCRDHVOGZZBC-DTWKUNHWSA-N 2 0 224.270 1.998 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[NH2+]C1(CO)CCCCC1 ZINC000666654899 487851917 /nfs/dbraw/zinc/85/19/17/487851917.db2.gz CVPYBOZGVNVLOT-GFCCVEGCSA-N 2 0 228.380 1.645 20 0 BDADRP COC[C@H](C)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253200577 487858201 /nfs/dbraw/zinc/85/82/01/487858201.db2.gz XCXTZMWZWJIXEH-IJLUTSLNSA-N 2 0 214.353 1.186 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)C1CCC1 ZINC000234799294 487880447 /nfs/dbraw/zinc/88/04/47/487880447.db2.gz ZDJDVKQOTHCEAS-JQWIXIFHSA-N 2 0 214.353 1.519 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cnc3ccccn23)C1 ZINC000666852278 487890690 /nfs/dbraw/zinc/89/06/90/487890690.db2.gz YLVAJBNTNDYOJV-RYUDHWBXSA-N 2 0 244.342 1.694 20 0 BDADRP Cc1cc(C)n(CC[N@H+]2CC[C@H]([NH3+])C[C@H]2C)n1 ZINC000386827700 487896962 /nfs/dbraw/zinc/89/69/62/487896962.db2.gz VGXYXZXAODSCKA-YPMHNXCESA-N 2 0 236.363 1.312 20 0 BDADRP COC[C@]1(C[NH2+][C@@H](C)CC2CCC2)CCC[NH2+]1 ZINC000666891940 487898150 /nfs/dbraw/zinc/89/81/50/487898150.db2.gz PIQSSOYQIUHVLY-GXTWGEPZSA-N 2 0 240.391 1.923 20 0 BDADRP C[N@H+](CCC[NH3+])C[C@@H]1CCC2(CCCC2)O1 ZINC000229259109 487899227 /nfs/dbraw/zinc/89/92/27/487899227.db2.gz ZOJIARIJYAKKNJ-LBPRGKRZSA-N 2 0 226.364 1.759 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000157472440 487912256 /nfs/dbraw/zinc/91/22/56/487912256.db2.gz NLZAXWDGLWIDGP-XJFOESAGSA-N 2 0 237.391 1.473 20 0 BDADRP c1cc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000666950753 487913065 /nfs/dbraw/zinc/91/30/65/487913065.db2.gz DPTOXEOIMNNALB-LLVKDONJSA-N 2 0 222.357 1.980 20 0 BDADRP COc1cccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)c1 ZINC000666950777 487913439 /nfs/dbraw/zinc/91/34/39/487913439.db2.gz GQYSWLMPZFALBD-AWEZNQCLSA-N 2 0 246.354 1.927 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC23CC[NH2+]CC3)C1 ZINC000666954066 487916001 /nfs/dbraw/zinc/91/60/01/487916001.db2.gz PAXKPPWMUZROHG-UTUOFQBUSA-N 2 0 208.349 1.907 20 0 BDADRP C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000667040072 487933500 /nfs/dbraw/zinc/93/35/00/487933500.db2.gz BJCRHMOBJOGZQJ-NTZNESFSSA-N 2 0 249.362 1.030 20 0 BDADRP CCOCCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247247745 323012484 /nfs/dbraw/zinc/01/24/84/323012484.db2.gz ZJGJTPSZNOQPEQ-QWHCGFSZSA-N 2 0 228.380 1.875 20 0 BDADRP CC(C)[NH2+]CCCN[C@H]1CCCC[C@H]1C[NH3+] ZINC000562956373 323034897 /nfs/dbraw/zinc/03/48/97/323034897.db2.gz QJUGGMPTYPMHAM-STQMWFEESA-N 2 0 227.396 1.482 20 0 BDADRP CCN(CC)C[C@@H](C)[NH2+]C[C@@H](C)COC ZINC000163330479 323035944 /nfs/dbraw/zinc/03/59/44/323035944.db2.gz JDRARRRHJBWSNR-VXGBXAGGSA-N 2 0 216.369 1.589 20 0 BDADRP CC(C)[NH+](CCC[NH2+][C@@H](C)[C@H](C)O)C(C)C ZINC000570156009 323051268 /nfs/dbraw/zinc/05/12/68/323051268.db2.gz UOHNIINQXBBSSV-STQMWFEESA-N 2 0 230.396 1.854 20 0 BDADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCC[NH3+])c1 ZINC000570199902 323052651 /nfs/dbraw/zinc/05/26/51/323052651.db2.gz DVXNTNPZRZAFGS-LBPRGKRZSA-N 2 0 249.358 1.651 20 0 BDADRP CS[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000570274618 323054562 /nfs/dbraw/zinc/05/45/62/323054562.db2.gz UXQQIRAUNFEBKI-GRYCIOLGSA-N 2 0 228.405 1.812 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCCn2cccn2)CC[N@@H+]1C ZINC000126982703 323074940 /nfs/dbraw/zinc/07/49/40/323074940.db2.gz ILUGDTKKZDJTBE-OLZOCXBDSA-N 2 0 236.363 1.346 20 0 BDADRP CCC[C@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000186568074 323083224 /nfs/dbraw/zinc/08/32/24/323083224.db2.gz LQNGKOUKBVIKIK-UONOGXRCSA-N 2 0 241.423 1.791 20 0 BDADRP CC[C@H](C)C[NH2+]CCC[N@H+](C)CCOC ZINC000093061419 323088181 /nfs/dbraw/zinc/08/81/81/323088181.db2.gz DZMBBGUYTLNOMW-LBPRGKRZSA-N 2 0 216.369 1.590 20 0 BDADRP CCCn1cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cn1 ZINC000563135562 323094704 /nfs/dbraw/zinc/09/47/04/323094704.db2.gz QLBDIFUJBNOYDF-GHMZBOCLSA-N 2 0 224.352 1.509 20 0 BDADRP CCN(C)C[C@H](O)C[N@@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000571103605 323135659 /nfs/dbraw/zinc/13/56/59/323135659.db2.gz FBJPZWLWNHAPQF-STQMWFEESA-N 2 0 242.407 1.667 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCOC[C@@H]1CCCO1 ZINC000571432340 323144573 /nfs/dbraw/zinc/14/45/73/323144573.db2.gz VDPKQBRILGSEJG-YNEHKIRRSA-N 2 0 242.363 1.042 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCCN(CC[NH2+]C(C)(C)C)C1 ZINC000414659025 323151087 /nfs/dbraw/zinc/15/10/87/323151087.db2.gz MGHNMIRFCRPCOE-NWDGAFQWSA-N 2 0 227.396 1.434 20 0 BDADRP COC(=O)CCC[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397263375 323152486 /nfs/dbraw/zinc/15/24/86/323152486.db2.gz IECPHKZERVVSHC-TUAOUCFPSA-N 2 0 242.363 1.245 20 0 BDADRP Cc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cn1 ZINC000531970660 323160323 /nfs/dbraw/zinc/16/03/23/323160323.db2.gz DHGODUIXVCCZHH-DOMZBBRYSA-N 2 0 247.386 1.862 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000395140098 323188705 /nfs/dbraw/zinc/18/87/05/323188705.db2.gz GSXBLUAZKJHEMO-YNEHKIRRSA-N 2 0 228.380 1.515 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000530215245 323216799 /nfs/dbraw/zinc/21/67/99/323216799.db2.gz FTHOHYSTPQSLNT-JHJVBQTASA-N 2 0 237.391 1.249 20 0 BDADRP Cc1ncccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000530217243 323217142 /nfs/dbraw/zinc/21/71/42/323217142.db2.gz AMNQBPVUCGQKAM-LERXQTSPSA-N 2 0 249.358 1.232 20 0 BDADRP C[N@H+](C[C@@H]1CCCC[C@H]1O)C1CC[NH2+]CC1 ZINC000328460291 323252215 /nfs/dbraw/zinc/25/22/15/323252215.db2.gz GYGFEHSPBDWGQJ-WCQYABFASA-N 2 0 226.364 1.221 20 0 BDADRP CCC[NH+]1CCC(N[C@@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000400495799 323441337 /nfs/dbraw/zinc/44/13/37/323441337.db2.gz AWCHSKNKSVCZHJ-JSGCOSHPSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H]1CC([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C[C@@H](C)O1 ZINC000572463992 323642219 /nfs/dbraw/zinc/64/22/19/323642219.db2.gz MTLQLNRMAVHJNA-WISYIIOYSA-N 2 0 226.364 1.802 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CS[C@@H](C)C2)C1 ZINC000227504164 487962259 /nfs/dbraw/zinc/96/22/59/487962259.db2.gz XYMOCFXISOBEHS-TUAOUCFPSA-N 2 0 228.405 1.812 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCOC(C)(C)C ZINC000162869719 324129151 /nfs/dbraw/zinc/12/91/51/324129151.db2.gz OCLBGBGSVQXNRM-NEPJUHHUSA-N 2 0 228.380 1.731 20 0 BDADRP COCCC1CC[NH+]([C@H](C)CCC[NH3+])CC1 ZINC000530207295 324524389 /nfs/dbraw/zinc/52/43/89/324524389.db2.gz CYSLTJOWGOQGQM-GFCCVEGCSA-N 2 0 228.380 1.862 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CCCOC2)C1 ZINC000530210280 324527108 /nfs/dbraw/zinc/52/71/08/324527108.db2.gz JADDFWCNVDASLC-JHJVBQTASA-N 2 0 226.364 1.663 20 0 BDADRP COCCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000130112968 325014876 /nfs/dbraw/zinc/01/48/76/325014876.db2.gz MQAKSRLDYMOMKS-NWDGAFQWSA-N 2 0 214.353 1.485 20 0 BDADRP CC(C)[N@H+](C)CCN[C@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000130451450 325053234 /nfs/dbraw/zinc/05/32/34/325053234.db2.gz MHQFTEXEWLOXSH-STQMWFEESA-N 2 0 239.407 1.541 20 0 BDADRP CC(C)[C@@H](C(=O)Nc1ccc(C[NH3+])cc1)[NH+](C)C ZINC000131231712 325128527 /nfs/dbraw/zinc/12/85/27/325128527.db2.gz IXHWJKHHZYPHBQ-ZDUSSCGKSA-N 2 0 249.358 1.670 20 0 BDADRP CC[C@H](O)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000253025789 325704050 /nfs/dbraw/zinc/70/40/50/325704050.db2.gz NCFAYMQSUVPCPF-IGQOVBAYSA-N 2 0 240.391 1.658 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)N1CCC(CC[NH3+])CC1 ZINC000565150550 325862385 /nfs/dbraw/zinc/86/23/85/325862385.db2.gz LSGPZEGNIUHOBA-CYBMUJFWSA-N 2 0 241.379 1.091 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)CCC1CC[NH2+]CC1 ZINC000566256601 326025190 /nfs/dbraw/zinc/02/51/90/326025190.db2.gz FNVMYCFDZVVYKW-WDEREUQCSA-N 2 0 241.379 1.008 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000566483298 326056221 /nfs/dbraw/zinc/05/62/21/326056221.db2.gz UGURLOVPAYJQMJ-IHRRRGAJSA-N 2 0 241.423 1.966 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000566867055 326088639 /nfs/dbraw/zinc/08/86/39/326088639.db2.gz TXFWHGRQUKKMLS-RFQIPJPRSA-N 2 0 239.407 1.719 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H](C)[C@H]2CCCO2)CC1 ZINC000310249347 326188179 /nfs/dbraw/zinc/18/81/79/326188179.db2.gz FNTWFMBZGNEJTF-GXTWGEPZSA-N 2 0 240.391 1.875 20 0 BDADRP [NH3+][C@H]1CCCc2cn(CC[C@@H]3CC[NH2+]C3)nc21 ZINC000567673765 326242835 /nfs/dbraw/zinc/24/28/35/326242835.db2.gz GTXMZBORJWTSNR-JQWIXIFHSA-N 2 0 234.347 1.219 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cnc(N)s1 ZINC000567870825 326273627 /nfs/dbraw/zinc/27/36/27/326273627.db2.gz PIXCQHSRZJQVAL-QMMMGPOBSA-N 2 0 228.365 1.163 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000567925221 326284216 /nfs/dbraw/zinc/28/42/16/326284216.db2.gz GFUPKAUBUADJBY-AXFHLTTASA-N 2 0 241.379 1.007 20 0 BDADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCCc2ccccc2C1 ZINC000568050818 326300084 /nfs/dbraw/zinc/30/00/84/326300084.db2.gz HGZYKVCISPARFD-HNNXBMFYSA-N 2 0 248.370 1.405 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000568180936 326321656 /nfs/dbraw/zinc/32/16/56/326321656.db2.gz GRFRIMGAOIQHOG-MROQNXINSA-N 2 0 226.364 1.077 20 0 BDADRP Cc1ncc(CNC[C@H]2CCC[N@H+](C)C2)n1C ZINC000568414581 326356264 /nfs/dbraw/zinc/35/62/64/326356264.db2.gz OXLDFBFDCDGAMP-GFCCVEGCSA-N 2 0 236.363 1.160 20 0 BDADRP C[C@H](O)[C@H](C)[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000569230350 326396292 /nfs/dbraw/zinc/39/62/92/326396292.db2.gz VRVQGKOUWNKIIV-IHRRRGAJSA-N 2 0 242.407 2.000 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000400468350 487980393 /nfs/dbraw/zinc/98/03/93/487980393.db2.gz UKMZCXYTGMCUMS-FRRDWIJNSA-N 2 0 225.380 1.201 20 0 BDADRP CC[C@@H](C)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000682075002 487990316 /nfs/dbraw/zinc/99/03/16/487990316.db2.gz ZLDAVZOBNKKBPF-ZIAGYGMSSA-N 2 0 239.407 1.497 20 0 BDADRP CC[N@@H+]1CCN(CC[NH+]2CCCCC2)C[C@H]1C ZINC000677197239 488003103 /nfs/dbraw/zinc/00/31/03/488003103.db2.gz YAUISLOUOPQOLJ-CQSZACIVSA-N 2 0 239.407 1.498 20 0 BDADRP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCCO1 ZINC000400964032 488012101 /nfs/dbraw/zinc/01/21/01/488012101.db2.gz MEHBKEOJUAULSB-LPWJVIDDSA-N 2 0 224.348 1.143 20 0 BDADRP CCOCC[N@@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000147435907 488023401 /nfs/dbraw/zinc/02/34/01/488023401.db2.gz YRYLSENWZNCVFI-QWRGUYRKSA-N 2 0 200.326 1.082 20 0 BDADRP COCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401070051 488025138 /nfs/dbraw/zinc/02/51/38/488025138.db2.gz MUSLUYLWBZVUJM-UMSGYPCISA-N 2 0 226.364 1.389 20 0 BDADRP CC(C)[NH+]1CCC(NC(=O)CC(C)(C)[NH3+])CC1 ZINC000084167957 488032264 /nfs/dbraw/zinc/03/22/64/488032264.db2.gz JHLBOVMQYAKWTJ-UHFFFAOYSA-N 2 0 241.379 1.103 20 0 BDADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])o1 ZINC000084221503 488038825 /nfs/dbraw/zinc/03/88/25/488038825.db2.gz IHKNJUZNLYPUEQ-ZYHUDNBSSA-N 2 0 208.305 1.805 20 0 BDADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CC2CC2)CC1 ZINC000334867184 488059419 /nfs/dbraw/zinc/05/94/19/488059419.db2.gz VOAYYGTZYSHBHD-OLZOCXBDSA-N 2 0 224.348 1.225 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000656200680 488066306 /nfs/dbraw/zinc/06/63/06/488066306.db2.gz UFRNJRBXXMIVRV-OOCWMUITSA-N 2 0 210.321 1.166 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000656200682 488066387 /nfs/dbraw/zinc/06/63/87/488066387.db2.gz UFRNJRBXXMIVRV-ROHXPCBUSA-N 2 0 210.321 1.166 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC1(CO)CCC1 ZINC000643480602 488069632 /nfs/dbraw/zinc/06/96/32/488069632.db2.gz FMTMABVEGOUUDD-NEPJUHHUSA-N 2 0 226.364 1.399 20 0 BDADRP C([C@@H]1CCOC1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257651315 488074717 /nfs/dbraw/zinc/07/47/17/488074717.db2.gz DIZMWEKKWPSAKQ-QWHCGFSZSA-N 2 0 224.348 1.098 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000389109301 488077287 /nfs/dbraw/zinc/07/72/87/488077287.db2.gz ADROBZMBOJSZRE-AGIUHOORSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000683110340 488111181 /nfs/dbraw/zinc/11/11/81/488111181.db2.gz MLPJNRMKPAOPIS-CHWSQXEVSA-N 2 0 231.343 1.860 20 0 BDADRP CC(C)C[C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000669510679 488113455 /nfs/dbraw/zinc/11/34/55/488113455.db2.gz PFEORSRRWMEFGV-CHWSQXEVSA-N 2 0 249.358 1.176 20 0 BDADRP [NH3+]C1CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000403457659 488124302 /nfs/dbraw/zinc/12/43/02/488124302.db2.gz ZMNYFHPFCFMXIS-GRYCIOLGSA-N 2 0 208.349 1.846 20 0 BDADRP C[NH+](C)C1CCN(C(=O)CCC(C)(C)[NH3+])CC1 ZINC000070086678 487538038 /nfs/dbraw/zinc/53/80/38/487538038.db2.gz YUEAVYHFYPDMTQ-UHFFFAOYSA-N 2 0 241.379 1.057 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC(C)(C)[NH3+] ZINC000070086534 487537504 /nfs/dbraw/zinc/53/75/04/487537504.db2.gz DCNVHKRCSFVOMG-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP CCO[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000233754053 488127230 /nfs/dbraw/zinc/12/72/30/488127230.db2.gz XSQFNTZVWFAPIN-BFHYXJOUSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C)[C@@H](C)C1 ZINC000310543758 488128763 /nfs/dbraw/zinc/12/87/63/488128763.db2.gz RTEHVZZWIHTIRL-HZSPNIEDSA-N 2 0 242.407 1.665 20 0 BDADRP C[NH+](C)[C@@H]1CCC[N@@H+]([C@H]2CCCOC2)CC1 ZINC000683228093 488133947 /nfs/dbraw/zinc/13/39/47/488133947.db2.gz SMXQBZSNOLNVNJ-OLZOCXBDSA-N 2 0 226.364 1.582 20 0 BDADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCc1cccnc1)C2 ZINC000394151512 487542570 /nfs/dbraw/zinc/54/25/70/487542570.db2.gz JSBRBMVBGPQSMZ-GJZGRUSLSA-N 2 0 245.370 1.685 20 0 BDADRP [NH3+][C@H](CCC(=O)N1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000237980530 487546615 /nfs/dbraw/zinc/54/66/15/487546615.db2.gz KPWFQDSCGADSET-CHWSQXEVSA-N 2 0 247.342 1.026 20 0 BDADRP C[C@@H](C(=O)Nc1ccnc(N(C)C)c1)[NH+](C)C ZINC000674289675 487550692 /nfs/dbraw/zinc/55/06/92/487550692.db2.gz SHEPZEDETWBJQN-VIFPVBQESA-N 2 0 236.319 1.036 20 0 BDADRP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H]2CCCOC2)C1 ZINC000674302280 487554246 /nfs/dbraw/zinc/55/42/46/487554246.db2.gz KZNXBUTVAFWUQW-ZIAGYGMSSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@@H]1C[C@@H]1C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668785262 487531475 /nfs/dbraw/zinc/53/14/75/487531475.db2.gz OZEINANGRPAZCA-MCIONIFRSA-N 2 0 240.391 1.685 20 0 BDADRP C1=CCC(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000238036179 487556850 /nfs/dbraw/zinc/55/68/50/487556850.db2.gz JJGIDEURRQKZHL-OLZOCXBDSA-N 2 0 206.333 1.779 20 0 BDADRP C[N@@H+]1CC[C@]2(CCN(Cc3cccnc3N)C2)C1 ZINC000295160076 487483229 /nfs/dbraw/zinc/48/32/29/487483229.db2.gz DHAAOWYYHWDXCP-AWEZNQCLSA-N 2 0 246.358 1.191 20 0 BDADRP CCO[C@@H]1C[N@H+](CCC2CCC2)C[C@H]1C[NH3+] ZINC000405237712 487477054 /nfs/dbraw/zinc/47/70/54/487477054.db2.gz ZNBUFLUTXOHPIZ-CHWSQXEVSA-N 2 0 226.364 1.472 20 0 BDADRP Cc1nnc(CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)s1 ZINC000391805613 487493324 /nfs/dbraw/zinc/49/33/24/487493324.db2.gz GCTVNRKQMRRUBX-VHSXEESVSA-N 2 0 240.376 1.249 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCC1(C)C ZINC000381061222 487494351 /nfs/dbraw/zinc/49/43/51/487494351.db2.gz LCTXCTDCWCEFLE-LBPRGKRZSA-N 2 0 228.380 1.562 20 0 BDADRP CC[C@H](C)C[N@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000381070532 487494887 /nfs/dbraw/zinc/49/48/87/487494887.db2.gz ODOVMOSXVAJKIG-QWHCGFSZSA-N 2 0 230.396 1.665 20 0 BDADRP Cc1csc(CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000086404113 487500999 /nfs/dbraw/zinc/50/09/99/487500999.db2.gz NIQUAPMBFMVWSY-QWRGUYRKSA-N 2 0 239.388 1.854 20 0 BDADRP C[N@H+](CCOCC[NH3+])Cc1ccsc1 ZINC000086435392 487506829 /nfs/dbraw/zinc/50/68/29/487506829.db2.gz LTZDMXDXEQQJSV-UHFFFAOYSA-N 2 0 214.334 1.155 20 0 BDADRP CO[C@H](C[N@H+](C)C1CC([NH3+])C1)C1CCCC1 ZINC000662274098 487522919 /nfs/dbraw/zinc/52/29/19/487522919.db2.gz RDXXGCKBTJPPFD-WXRRBKDZSA-N 2 0 226.364 1.613 20 0 BDADRP CO[C@@H](C[N@H+](C)C1CC([NH3+])C1)C1CCC1 ZINC000662274132 487523130 /nfs/dbraw/zinc/52/31/30/487523130.db2.gz RFJAQRSGVJCOEW-MCIGGMRASA-N 2 0 212.337 1.223 20 0 BDADRP O[C@H]1C[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000668779304 487525257 /nfs/dbraw/zinc/52/52/57/487525257.db2.gz BOOFRSJHHVINKQ-MQMHXKEQSA-N 2 0 247.342 1.163 20 0 BDADRP CCC[NH2+]CC[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000643515092 487661523 /nfs/dbraw/zinc/66/15/23/487661523.db2.gz BMUCJHWBYKJQQS-VXGBXAGGSA-N 2 0 214.353 1.533 20 0 BDADRP C([NH2+][C@H]1CCC12CCC2)C1CC[NH2+]CC1 ZINC000570953485 487731384 /nfs/dbraw/zinc/73/13/84/487731384.db2.gz CNSWAHUVORBYPL-LBPRGKRZSA-N 2 0 208.349 1.908 20 0 BDADRP COCCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252418983 487823960 /nfs/dbraw/zinc/82/39/60/487823960.db2.gz XPNLBAOBDMKBDB-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP COC[C@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000682029239 487883765 /nfs/dbraw/zinc/88/37/65/487883765.db2.gz NWIYONXKKBKDGX-CQSZACIVSA-N 2 0 240.391 1.973 20 0 BDADRP CC(C)C[C@@H]([NH3+])C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000669520683 488141845 /nfs/dbraw/zinc/14/18/45/488141845.db2.gz ZPJNKEGCGHLPQU-NWDGAFQWSA-N 2 0 241.379 1.008 20 0 BDADRP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](C)CO)CC1 ZINC000678045531 488174937 /nfs/dbraw/zinc/17/49/37/488174937.db2.gz MXQJKISIFQJYLJ-GFCCVEGCSA-N 2 0 228.380 1.419 20 0 BDADRP CC[NH+](CC)CC1CC[NH+](C[C@@H](C)CO)CC1 ZINC000678043576 488178041 /nfs/dbraw/zinc/17/80/41/488178041.db2.gz BNVGDASTZAZALY-CYBMUJFWSA-N 2 0 242.407 1.669 20 0 BDADRP C[C@H](CO)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000678043401 488178425 /nfs/dbraw/zinc/17/84/25/488178425.db2.gz CETILBKSRGGCDZ-GXTWGEPZSA-N 2 0 240.391 1.279 20 0 BDADRP Cc1ncc(CN2C[C@H](C)O[C@@H](C)[C@H]2C)n1C ZINC000668031927 488190671 /nfs/dbraw/zinc/19/06/71/488190671.db2.gz MUOLFAPEZLFIBP-AXFHLTTASA-N 2 0 237.347 1.726 20 0 BDADRP CCCN1CC[C@H]([NH2+][C@H](C)CCCCO)C1 ZINC000398376476 488216518 /nfs/dbraw/zinc/21/65/18/488216518.db2.gz KYLXNGOBGJSTRK-OLZOCXBDSA-N 2 0 228.380 1.611 20 0 BDADRP C(C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)C1CCC1 ZINC000398671444 488222834 /nfs/dbraw/zinc/22/28/34/488222834.db2.gz SJDDHUPAUGBHOP-CQSZACIVSA-N 2 0 237.391 1.156 20 0 BDADRP CO[C@H]1CC[N@H+](Cc2cnc(C)n2C)C[C@H]1C ZINC000668215349 488228796 /nfs/dbraw/zinc/22/87/96/488228796.db2.gz BMKAHDNGZVXQAT-MFKMUULPSA-N 2 0 237.347 1.585 20 0 BDADRP CC[N@@H+]1CC[C@H](N(C)Cc2cn[nH]c2)[C@H](C)C1 ZINC000678277352 488235746 /nfs/dbraw/zinc/23/57/46/488235746.db2.gz ISXGJULTYVGMTC-YPMHNXCESA-N 2 0 236.363 1.572 20 0 BDADRP OC[C@H](CC1CC1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000678604993 488270860 /nfs/dbraw/zinc/27/08/60/488270860.db2.gz BIQNWGTWGALADC-MELADBBJSA-N 2 0 238.375 1.364 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH2+]CCC[NH+](C)C)C1 ZINC000069847036 490190127 /nfs/dbraw/zinc/19/01/27/490190127.db2.gz PHDNQOFYJAQKLQ-NEPJUHHUSA-N 2 0 214.353 1.485 20 0 BDADRP c1ccc(COCC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000309715038 490192324 /nfs/dbraw/zinc/19/23/24/490192324.db2.gz KKTAPCXXQZVJJC-GASCZTMLSA-N 2 0 246.354 1.354 20 0 BDADRP c1ccc(COCC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000309715040 490192522 /nfs/dbraw/zinc/19/25/22/490192522.db2.gz KKTAPCXXQZVJJC-GJZGRUSLSA-N 2 0 246.354 1.354 20 0 BDADRP C[NH+](C)CC1CC[NH+]([C@H]2COC(C)(C)C2)CC1 ZINC000659843491 490269813 /nfs/dbraw/zinc/26/98/13/490269813.db2.gz ADKJLGVMWSRVIH-CYBMUJFWSA-N 2 0 240.391 1.828 20 0 BDADRP C[NH2+]CCCN(C)C(=O)C[C@@H](C[NH3+])CC(C)C ZINC000124616635 490382894 /nfs/dbraw/zinc/38/28/94/490382894.db2.gz SSEIBHDPAUHPGL-LBPRGKRZSA-N 2 0 243.395 1.065 20 0 BDADRP C[C@@H]1C[C@@H](N(C)Cc2cncnc2)CC[N@@H+]1C ZINC000130621109 490418810 /nfs/dbraw/zinc/41/88/10/490418810.db2.gz MFQAONMJARCUAB-YPMHNXCESA-N 2 0 234.347 1.391 20 0 BDADRP COC[C@@H]([NH2+]CC1([NH3+])CCCC1)C1CC1 ZINC000397996579 490562986 /nfs/dbraw/zinc/56/29/86/490562986.db2.gz CBBVIVFFAQRAPF-LLVKDONJSA-N 2 0 212.337 1.273 20 0 BDADRP CC[C@H]1CCC[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000219320859 490566548 /nfs/dbraw/zinc/56/65/48/490566548.db2.gz MLWVUWFUXFAWJL-QWHCGFSZSA-N 2 0 228.380 1.733 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC(C)(C)CO)CC[N@@H+]1C ZINC000128103241 490570858 /nfs/dbraw/zinc/57/08/58/490570858.db2.gz DDLJTLGMHUWVTI-WDEREUQCSA-N 2 0 214.353 1.077 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)C1CC[NH+](C)CC1 ZINC000128336721 490576646 /nfs/dbraw/zinc/57/66/46/490576646.db2.gz AMUXGMLPQMVXDL-UHTWSYAYSA-N 2 0 240.391 1.466 20 0 BDADRP FC(F)COCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400942554 491069169 /nfs/dbraw/zinc/06/91/69/491069169.db2.gz DHHDLOWAEAMTNV-OUAUKWLOSA-N 2 0 248.317 1.246 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)CCOC)C1 ZINC000088536901 491104757 /nfs/dbraw/zinc/10/47/57/491104757.db2.gz KNKPKLVGKRDNCM-STQMWFEESA-N 2 0 228.380 1.685 20 0 BDADRP Cc1cccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1C ZINC000090320633 491124401 /nfs/dbraw/zinc/12/44/01/491124401.db2.gz VLTOXGJKLZXXNQ-GJZGRUSLSA-N 2 0 230.355 1.955 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCCCCC[NH3+])CN1C1CC1 ZINC000843342778 582510836 /nfs/dbraw/zinc/51/08/36/582510836.db2.gz UKASBIQVPIAXMB-STQMWFEESA-N 2 0 239.407 1.720 20 0 BDADRP C[C@H](CCCC[NH3+])NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000494645812 533842850 /nfs/dbraw/zinc/84/28/50/533842850.db2.gz DLCYIJBACVHSGX-DGCLKSJQSA-N 2 0 249.358 1.320 20 0 BDADRP C[C@H]([NH2+][C@H](CCO)C(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000400704969 533994511 /nfs/dbraw/zinc/99/45/11/533994511.db2.gz KRTRCZFLRYNUHE-QJPTWQEYSA-N 2 0 228.380 1.371 20 0 BDADRP CCC[C@H]1C[N@H+](CC2CC[NH+](C)CC2)CCO1 ZINC000892067870 582784476 /nfs/dbraw/zinc/78/44/76/582784476.db2.gz BELZPHCDMJVGQW-AWEZNQCLSA-N 2 0 240.391 1.829 20 0 BDADRP C[N@H+](CCC1CCOCC1)C[C@]1(C)CC[NH2+]C1 ZINC000262111035 536326599 /nfs/dbraw/zinc/32/65/99/536326599.db2.gz WMXJBFPVZHNJJP-CQSZACIVSA-N 2 0 240.391 1.735 20 0 BDADRP CN(C[C@H]1CCC[N@@H+]1C)C[C@@]1(C)CC[NH2+]C1 ZINC000220955419 582820125 /nfs/dbraw/zinc/82/01/25/582820125.db2.gz LCDOCJHWARELDQ-OLZOCXBDSA-N 2 0 225.380 1.012 20 0 BDADRP CC/C=C/CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000849035254 582836498 /nfs/dbraw/zinc/83/64/98/582836498.db2.gz BOHZEJXIUCABCB-BTDICHCPSA-N 2 0 238.379 1.551 20 0 BDADRP CC(C)(C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000226069881 534651642 /nfs/dbraw/zinc/65/16/42/534651642.db2.gz RQUBEKBRZFNOQO-WOPDTQHZSA-N 2 0 228.380 1.501 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H](CCO)C(C)(C)C ZINC000183686211 536370112 /nfs/dbraw/zinc/37/01/12/536370112.db2.gz CIBRJPTYKNOBCG-CHWSQXEVSA-N 2 0 242.407 1.857 20 0 BDADRP C1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000401114617 526422584 /nfs/dbraw/zinc/42/25/84/526422584.db2.gz LRZMXVPTZTYZCO-NQBHXWOUSA-N 2 0 208.349 1.907 20 0 BDADRP C[N@@H+]1CC[C@@H]2CCN(C[C@H]3CCC[NH2+]C3)[C@@H]2C1 ZINC000261764500 536465179 /nfs/dbraw/zinc/46/51/79/536465179.db2.gz DHBAUXDNQUSIQM-BFHYXJOUSA-N 2 0 237.391 1.012 20 0 BDADRP CCC1(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)CCOCC1 ZINC000400504926 527752628 /nfs/dbraw/zinc/75/26/28/527752628.db2.gz CWGXJOQJSYENCI-STQMWFEESA-N 2 0 240.391 1.923 20 0 BDADRP CC[NH+](CC)CCC[N@H+](C)[C@H]1C[C@@H](OC)C1 ZINC000510106939 528100194 /nfs/dbraw/zinc/10/01/94/528100194.db2.gz WIWZQAZZTHLDOR-BETUJISGSA-N 2 0 228.380 1.828 20 0 BDADRP CC1CC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000400914414 528163347 /nfs/dbraw/zinc/16/33/47/528163347.db2.gz GVHUSFWZUKWLCB-VFIJVLHUSA-N 2 0 208.349 1.763 20 0 BDADRP CC[NH2+][C@H](C)CN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000414956099 528420109 /nfs/dbraw/zinc/42/01/09/528420109.db2.gz NCBAEMNDRROYTI-MJBXVCDLSA-N 2 0 241.423 1.885 20 0 BDADRP CC(C)C[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000400758833 528531366 /nfs/dbraw/zinc/53/13/66/528531366.db2.gz XRFIBLPGOHNZBG-BFHYXJOUSA-N 2 0 241.423 1.693 20 0 BDADRP CCC(CC)(C[NH3+])C(=O)N[C@H](C)CCCC[NH3+] ZINC000495147001 528650760 /nfs/dbraw/zinc/65/07/60/528650760.db2.gz NAZDEHSLGLXQFD-LLVKDONJSA-N 2 0 243.395 1.385 20 0 BDADRP CCOCCCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400519762 528655997 /nfs/dbraw/zinc/65/59/97/528655997.db2.gz GZFLITACVANFHV-NEPJUHHUSA-N 2 0 214.353 1.533 20 0 BDADRP CCOCCC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400373135 528692090 /nfs/dbraw/zinc/69/20/90/528692090.db2.gz HPAIZHCVHSXWFA-GHMZBOCLSA-N 2 0 200.326 1.143 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000494540431 528800833 /nfs/dbraw/zinc/80/08/33/528800833.db2.gz CSXBKIQRGWNJRT-NEPJUHHUSA-N 2 0 241.379 1.152 20 0 BDADRP CC[NH+]1CCN(CCC[NH2+]C[C@H]2C[C@@H]2C)CC1 ZINC000488422814 529144882 /nfs/dbraw/zinc/14/48/82/529144882.db2.gz ZAQRQXNKENLRAV-UONOGXRCSA-N 2 0 239.407 1.260 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H](C)OC)C1 ZINC000252714953 534957636 /nfs/dbraw/zinc/95/76/36/534957636.db2.gz UEARPKZPHJVKFD-JHJVBQTASA-N 2 0 228.380 1.731 20 0 BDADRP CC1(C)[C@@H]2C[N@@H+](C[C@H]3CCC[NH2+]C3)C[C@@H]21 ZINC000261544562 535040462 /nfs/dbraw/zinc/04/04/62/535040462.db2.gz JAYABBOJOOEABU-SDDRHHMPSA-N 2 0 208.349 1.574 20 0 BDADRP CC(C)COCC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000261540677 535177344 /nfs/dbraw/zinc/17/73/44/535177344.db2.gz HBYNSQKINFBVAB-MJBXVCDLSA-N 2 0 240.391 1.718 20 0 BDADRP CC(C)([NH3+])C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000261978166 535197798 /nfs/dbraw/zinc/19/77/98/535197798.db2.gz RBMURRHPGLKTIB-CYBMUJFWSA-N 2 0 226.364 1.616 20 0 BDADRP CCOCC(C)(C)C[NH2+]C1CC[NH2+]CC1 ZINC000261531739 535433132 /nfs/dbraw/zinc/43/31/32/535433132.db2.gz HSIGXOXRXAGZOT-UHFFFAOYSA-N 2 0 214.353 1.391 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@](C)(O)CSC)CC1 ZINC000167983120 535474056 /nfs/dbraw/zinc/47/40/56/535474056.db2.gz OWLZGFSOFMGIMV-LBPRGKRZSA-N 2 0 246.420 1.174 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000262598926 535522115 /nfs/dbraw/zinc/52/21/15/535522115.db2.gz NLGFCEMGGAAWEY-DGCLKSJQSA-N 2 0 243.395 1.336 20 0 BDADRP CCOCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000093451105 535550106 /nfs/dbraw/zinc/55/01/06/535550106.db2.gz NOPXQGZKWNOZFH-MJBXVCDLSA-N 2 0 240.391 1.923 20 0 BDADRP CC[NH+](CC)[C@H]1CCN(C[C@@H]([NH3+])CC(C)C)C1 ZINC000216596885 535679352 /nfs/dbraw/zinc/67/93/52/535679352.db2.gz UGBODMRROPPQCI-KBPBESRZSA-N 2 0 241.423 1.776 20 0 BDADRP CCC[C@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000262441382 535679785 /nfs/dbraw/zinc/67/97/85/535679785.db2.gz NHXSAEYHHMFSMJ-NWDGAFQWSA-N 2 0 241.379 1.138 20 0 BDADRP CC[C@@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000220946809 535813694 /nfs/dbraw/zinc/81/36/94/535813694.db2.gz NETAXUXTSYKSQU-YNEHKIRRSA-N 2 0 226.364 1.173 20 0 BDADRP COCCC[NH2+][C@H](C)C[C@H]1CCC[NH2+]1 ZINC000086495106 536591961 /nfs/dbraw/zinc/59/19/61/536591961.db2.gz PIGAQTYFOWDENW-GHMZBOCLSA-N 2 0 200.326 1.143 20 0 BDADRP COCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250443233 536590300 /nfs/dbraw/zinc/59/03/00/536590300.db2.gz BNBFGNSLVOSRKB-JHJVBQTASA-N 2 0 226.364 1.533 20 0 BDADRP COCCC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000169234571 536590994 /nfs/dbraw/zinc/59/09/94/536590994.db2.gz OWENJGDJNAOHQJ-STQMWFEESA-N 2 0 220.316 1.757 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])C1CC1 ZINC000261967512 536647150 /nfs/dbraw/zinc/64/71/50/536647150.db2.gz BSSYFLCJQOIDJX-SDDRHHMPSA-N 2 0 212.337 1.128 20 0 BDADRP COC[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)C1CC1 ZINC000227495807 536874171 /nfs/dbraw/zinc/87/41/71/536874171.db2.gz IEQXPAHMIUQBHO-ZDUSSCGKSA-N 2 0 240.391 1.733 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2c[nH]nc2C)C1 ZINC000245949248 537960730 /nfs/dbraw/zinc/96/07/30/537960730.db2.gz KWZYMDKSFGCKAN-PWSUYJOCSA-N 2 0 236.363 1.711 20 0 BDADRP c1c([C@H]2CCCC[NH2+]2)nnn1[C@H]1CCC[NH2+]C1 ZINC000725263151 538088993 /nfs/dbraw/zinc/08/89/93/538088993.db2.gz RBCCAPUWGXREER-WDEREUQCSA-N 2 0 235.335 1.017 20 0 BDADRP C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCCC[NH2+]1 ZINC000333342312 566381985 /nfs/dbraw/zinc/38/19/85/566381985.db2.gz YJSAPJLKDFNBFJ-QNWHQSFQSA-N 2 0 225.380 1.377 20 0 BDADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCCOC2)CC1 ZINC000335600552 566405002 /nfs/dbraw/zinc/40/50/02/566405002.db2.gz QADNGQCGBYAZGH-GFCCVEGCSA-N 2 0 210.321 1.017 20 0 BDADRP CN1CC[C@H]([NH2+]C[C@H]2C[C@]2(C)Br)C1 ZINC000892938699 583012850 /nfs/dbraw/zinc/01/28/50/583012850.db2.gz HBSFNWHWBAPPLN-UTLUCORTSA-N 2 0 247.180 1.454 20 0 BDADRP CN(CCC1SCCS1)[C@@H](C[NH3+])C1CC1 ZINC000853022974 588716554 /nfs/dbraw/zinc/71/65/54/588716554.db2.gz JHRCWGRIXYRAQA-JTQLQIEISA-N 2 0 246.445 1.852 20 0 BDADRP C[C@](O)(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000112466181 588799084 /nfs/dbraw/zinc/79/90/84/588799084.db2.gz TXBDVMGWAHOMOO-GUTXKFCHSA-N 2 0 246.354 1.045 20 0 BDADRP C[C@@H]([NH2+]CCCCCC[NH3+])c1nccn1C ZINC000843342037 582486450 /nfs/dbraw/zinc/48/64/50/582486450.db2.gz MZGFAEALKGVIAC-LLVKDONJSA-N 2 0 224.352 1.590 20 0 BDADRP C[N@H+](CCCCCC[NH3+])C1CC[NH2+]CC1 ZINC000146484201 582772433 /nfs/dbraw/zinc/77/24/33/582772433.db2.gz NNGFESWCWRUOSO-UHFFFAOYSA-N 3 0 213.369 1.189 20 0 BDADRP C[C@@H](CNC(=[NH2+])N1CCCCC1)[NH+]1CCCC1 ZINC000848986528 582817494 /nfs/dbraw/zinc/81/74/94/582817494.db2.gz BKFBXGFICZAEGP-LBPRGKRZSA-N 2 0 238.379 1.481 20 0 BDADRP CNC(=[NH2+])NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000848988175 582818701 /nfs/dbraw/zinc/81/87/01/582818701.db2.gz KCYRJSVFIJVXDO-PHIMTYICSA-N 2 0 226.368 1.098 20 0 BDADRP C[C@H](CCCCO)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000393737186 582921556 /nfs/dbraw/zinc/92/15/56/582921556.db2.gz AQGKRUYKHZHLNT-GFCCVEGCSA-N 2 0 226.364 1.389 20 0 BDADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)COC(C)=O)C1 ZINC000892743853 582973922 /nfs/dbraw/zinc/97/39/22/582973922.db2.gz SUXQGQHBCRMQCV-YPMHNXCESA-N 2 0 242.363 1.260 20 0 BDADRP CO[C@@H]1CC[C@H]([N@@H+]2CCC[C@H]([NH+](C)C)CC2)C1 ZINC000851985998 582990221 /nfs/dbraw/zinc/99/02/21/582990221.db2.gz YHEGXZMGQVULRG-MELADBBJSA-N 2 0 240.391 1.970 20 0 BDADRP COC1(C)CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC000893426736 583141364 /nfs/dbraw/zinc/14/13/64/583141364.db2.gz DMDQJABGAXVPHX-UHFFFAOYSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@@H]([NH2+]C[C@@H](C)C[C@H](C)O)C1CC[NH+](C)CC1 ZINC000398641823 583158846 /nfs/dbraw/zinc/15/88/46/583158846.db2.gz VARWCTFWWKYXPZ-RWMBFGLXSA-N 2 0 242.407 1.713 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000857085134 588886505 /nfs/dbraw/zinc/88/65/05/588886505.db2.gz ISSPPPGFTYXYQS-QWHCGFSZSA-N 2 0 225.380 1.319 20 0 BDADRP C[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)[NH+]1CCCCC1 ZINC000222971203 583179653 /nfs/dbraw/zinc/17/96/53/583179653.db2.gz NBKANAZULQYDFC-MCIONIFRSA-N 2 0 239.407 1.720 20 0 BDADRP C[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)[C@@H](C)[C@H](C)O1 ZINC000893888604 583243667 /nfs/dbraw/zinc/24/36/67/583243667.db2.gz KPRGVRGOJDUPGD-AGIUHOORSA-N 2 0 240.391 1.826 20 0 BDADRP Cc1ccnc(N)c1CN(C)Cc1cccn1C ZINC000894041826 583285103 /nfs/dbraw/zinc/28/51/03/583285103.db2.gz GRSPZNJUDNDTFW-UHFFFAOYSA-N 2 0 244.342 1.943 20 0 BDADRP Cc1ccnc(N)c1C[NH2+]C[C@H](O)c1ccco1 ZINC000894167456 583324409 /nfs/dbraw/zinc/32/44/09/583324409.db2.gz ZUBHAPITKNSMBW-NSHDSACASA-N 2 0 247.298 1.388 20 0 BDADRP Cc1cc(N)nc(NC[C@H]2C[C@@H]([NH+](C)C)C2)[nH+]1 ZINC000894427781 583457128 /nfs/dbraw/zinc/45/71/28/583457128.db2.gz MVAPEISGBRRGRJ-AOOOYVTPSA-N 2 0 235.335 1.119 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2CC[C@H]3[C@@H]2CCCN3C)C1 ZINC000880141231 583474998 /nfs/dbraw/zinc/47/49/98/583474998.db2.gz OGXRRFOSGAGNSY-CRWXNKLISA-N 2 0 238.375 1.580 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CC[C@@H](F)C2)CC1 ZINC000894670664 583503607 /nfs/dbraw/zinc/50/36/07/583503607.db2.gz KGCMGETXVSRFTE-LLVKDONJSA-N 2 0 200.301 1.372 20 0 BDADRP COC[C@]1(C)CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000894671744 583504327 /nfs/dbraw/zinc/50/43/27/583504327.db2.gz QOOCYUYKELQHHD-CQSZACIVSA-N 2 0 240.391 1.687 20 0 BDADRP COC[C@H]1CCCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000894784826 583521586 /nfs/dbraw/zinc/52/15/86/583521586.db2.gz QOOCRTXBWCICCJ-CQSZACIVSA-N 2 0 240.391 1.829 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cnc[nH]2)C1 ZINC000894986951 583565456 /nfs/dbraw/zinc/56/54/56/583565456.db2.gz WZABZUONDBLMKY-LLVKDONJSA-N 2 0 222.336 1.231 20 0 BDADRP CC[C@H]1C[N@H+](CC2CC[NH+](C)CC2)[C@H](C)CO1 ZINC000895146278 583604467 /nfs/dbraw/zinc/60/44/67/583604467.db2.gz DQBAFBZPNCTSJE-OCCSQVGLSA-N 2 0 240.391 1.828 20 0 BDADRP C[NH+]1CCC(C[NH+]2CCN(C3CC3)CC2)CC1 ZINC000788013869 583636319 /nfs/dbraw/zinc/63/63/19/583636319.db2.gz UFXSKRWIWZJMMI-UHFFFAOYSA-N 2 0 237.391 1.108 20 0 BDADRP C[C@@H](CCn1cccn1)[NH2+]CC[C@H](C)[NH+](C)C ZINC000895293642 583639377 /nfs/dbraw/zinc/63/93/77/583639377.db2.gz ITCVHFMCFHBTSV-STQMWFEESA-N 2 0 238.379 1.592 20 0 BDADRP CC1=NO[C@H](CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000895306238 583643543 /nfs/dbraw/zinc/64/35/43/583643543.db2.gz BLTMTKHPCBJCPT-AGIUHOORSA-N 2 0 237.347 1.368 20 0 BDADRP Cc1ccncc1CC[NH2+]CC1CC[NH+](C)CC1 ZINC000895338282 583653809 /nfs/dbraw/zinc/65/38/09/583653809.db2.gz SQKISWFDUBKABK-UHFFFAOYSA-N 2 0 247.386 1.864 20 0 BDADRP Cc1nc(C)c(C)c(N[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC000895741039 583714352 /nfs/dbraw/zinc/71/43/52/583714352.db2.gz XEBSLTQNQUJWLL-ZYHUDNBSSA-N 2 0 234.347 1.906 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2C[C@@H](O)CC(C)(C)C2)CC1 ZINC000895849324 583736422 /nfs/dbraw/zinc/73/64/22/583736422.db2.gz UCOLQKDVOXEGFP-ZDUSSCGKSA-N 2 0 240.391 1.421 20 0 BDADRP CO[C@H]1CC[C@@H](C)[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000896074701 583769039 /nfs/dbraw/zinc/76/90/39/583769039.db2.gz CNLKLSGMVFCMHX-OCCSQVGLSA-N 2 0 240.391 1.828 20 0 BDADRP CCO[C@H](CNc1cc[nH+]cc1C)C[NH+](C)C ZINC000896113883 583771438 /nfs/dbraw/zinc/77/14/38/583771438.db2.gz UGQKYAVDYGKZCS-GFCCVEGCSA-N 2 0 237.347 1.191 20 0 BDADRP CCC[N@@H+]1CC[C@H](CNc2cc[nH+]c(CO)c2)C1 ZINC000858361119 588949001 /nfs/dbraw/zinc/94/90/01/588949001.db2.gz HTFOYYVFEHCCSI-GFCCVEGCSA-N 2 0 249.358 1.718 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCN1C ZINC000897813234 584047008 /nfs/dbraw/zinc/04/70/08/584047008.db2.gz IRMRAQZIRJTINQ-NFIBXUFNSA-N 2 0 236.359 1.235 20 0 BDADRP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCN1C ZINC000897813237 584047167 /nfs/dbraw/zinc/04/71/67/584047167.db2.gz IRMRAQZIRJTINQ-UCHMUAQZSA-N 2 0 236.359 1.235 20 0 BDADRP CC[N@H+](C)C[C@H]1CCN(c2cc[nH+]c(CO)c2)C1 ZINC000858430335 588953910 /nfs/dbraw/zinc/95/39/10/588953910.db2.gz UCTBLWZKKNBHQM-GFCCVEGCSA-N 2 0 249.358 1.352 20 0 BDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(CCO)cc1 ZINC000898171366 584088747 /nfs/dbraw/zinc/08/87/47/584088747.db2.gz WQMHEEJOHWLMED-DOMZBBRYSA-N 2 0 248.370 1.261 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000841049837 584124776 /nfs/dbraw/zinc/12/47/76/584124776.db2.gz WSJNZBVKFIIVCR-GWOFURMSSA-N 2 0 246.445 1.550 20 0 BDADRP COC[C@H](C)C[NH2+][C@@]12CCC[C@H]1[NH2+]CC2 ZINC000873231647 584127529 /nfs/dbraw/zinc/12/75/29/584127529.db2.gz PZEYBUMNGFTYTK-IJLUTSLNSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H](NC[C@H]1CCC(C)(C)C[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000873236892 584127813 /nfs/dbraw/zinc/12/78/13/584127813.db2.gz KFWCFXBSGOJUTG-UPJWGTAASA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ncc[nH]1 ZINC000873238638 584128178 /nfs/dbraw/zinc/12/81/78/584128178.db2.gz DDOGPVMORZPFSJ-GMTAPVOTSA-N 2 0 222.336 1.578 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CCCc3occc32)C1 ZINC000873252074 584128279 /nfs/dbraw/zinc/12/82/79/584128279.db2.gz ZTCZKQZLRLMUCC-UMNHJUIQSA-N 2 0 220.316 1.984 20 0 BDADRP C[C@@H]([NH2+][C@H](C)[C@H]1CCCC[NH2+]1)C1CC[NH2+]CC1 ZINC000873270548 584128779 /nfs/dbraw/zinc/12/87/79/584128779.db2.gz WSBIRQRPRJLIOZ-YRGRVCCFSA-N 3 0 239.407 1.495 20 0 BDADRP CC[C@@H]([NH3+])c1cn(C[C@@H]2CCCC[NH2+]C2)nn1 ZINC000899741284 584233448 /nfs/dbraw/zinc/23/34/48/584233448.db2.gz OPOSZPHTTOGMOK-GHMZBOCLSA-N 2 0 237.351 1.078 20 0 BDADRP C[C@@]1(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CCOC1 ZINC000902321932 584551408 /nfs/dbraw/zinc/55/14/08/584551408.db2.gz ZFNYMNSDBDTNJX-JSGCOSHPSA-N 2 0 240.391 1.781 20 0 BDADRP CCC[C@H](O)C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902320220 584552025 /nfs/dbraw/zinc/55/20/25/584552025.db2.gz OYVSEJJGJLLEPH-NEPJUHHUSA-N 2 0 228.380 1.515 20 0 BDADRP CC[C@@H](O)CC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902348404 584559012 /nfs/dbraw/zinc/55/90/12/584559012.db2.gz LMJSEHJRAKZXNR-VXGBXAGGSA-N 2 0 228.380 1.515 20 0 BDADRP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902326047 584560441 /nfs/dbraw/zinc/56/04/41/584560441.db2.gz BLIZVKMOGBNLRU-RWMBFGLXSA-N 2 0 242.407 1.761 20 0 BDADRP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902376322 584568233 /nfs/dbraw/zinc/56/82/33/584568233.db2.gz JGZWSFGMNLBASF-SDDRHHMPSA-N 2 0 240.391 1.514 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902359227 584570555 /nfs/dbraw/zinc/57/05/55/584570555.db2.gz GNTNGQNDZUPLAR-YPMHNXCESA-N 2 0 228.380 1.515 20 0 BDADRP [NH3+]C1(C[NH2+][C@@H]2CCC23CCOCC3)CC1 ZINC000902406521 584574250 /nfs/dbraw/zinc/57/42/50/584574250.db2.gz NHKAYOJOAFVRNJ-SNVBAGLBSA-N 2 0 210.321 1.027 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000902406313 584574261 /nfs/dbraw/zinc/57/42/61/584574261.db2.gz RWGFOTGVCBEMLK-AGIUHOORSA-N 3 0 239.407 1.482 20 0 BDADRP [NH3+]C1(CN[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000902409194 584575254 /nfs/dbraw/zinc/57/52/54/584575254.db2.gz IZBFFYGNYLIPNG-QWHCGFSZSA-N 2 0 237.391 1.236 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCCCCO)C1 ZINC000902381100 584576943 /nfs/dbraw/zinc/57/69/43/584576943.db2.gz CWSAVOCFYLXVJQ-GFCCVEGCSA-N 2 0 228.380 1.517 20 0 BDADRP C[C@H](O)CCC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902385347 584578271 /nfs/dbraw/zinc/57/82/71/584578271.db2.gz ZUYNUWWMYKIEPH-RYUDHWBXSA-N 2 0 228.380 1.515 20 0 BDADRP CC[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)[C@H](C)O ZINC000902389168 584580663 /nfs/dbraw/zinc/58/06/63/584580663.db2.gz VOFBRGPQNLNTDZ-TUAOUCFPSA-N 2 0 228.380 1.514 20 0 BDADRP CC(C)C[C@@H](C[NH3+])N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902392883 584583483 /nfs/dbraw/zinc/58/34/83/584583483.db2.gz LOVFMEZKFCBCSD-OLZOCXBDSA-N 2 0 241.423 1.728 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902394012 584583787 /nfs/dbraw/zinc/58/37/87/584583787.db2.gz UPPDNGBVVFWXPU-CHWSQXEVSA-N 2 0 241.423 1.872 20 0 BDADRP CC1(C)C[NH2+]CC[C@H](N[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000902393440 584583798 /nfs/dbraw/zinc/58/37/98/584583798.db2.gz RGKWXSOBNOTMJL-YNEHKIRRSA-N 2 0 239.407 1.624 20 0 BDADRP CCCC[C@@H](C[NH3+])N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902394015 584584078 /nfs/dbraw/zinc/58/40/78/584584078.db2.gz UPPDNGBVVFWXPU-STQMWFEESA-N 2 0 241.423 1.872 20 0 BDADRP CC[C@@H](O)C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902400986 584587739 /nfs/dbraw/zinc/58/77/39/584587739.db2.gz ZBRMZTCHANSTIV-WDEREUQCSA-N 2 0 214.353 1.125 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CCCC[C@@H]2O)C1 ZINC000902428336 584594824 /nfs/dbraw/zinc/59/48/24/584594824.db2.gz CEXPHKXXUFQPGP-CRWXNKLISA-N 2 0 240.391 1.787 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CCC(C)(C)CO1)C1C[NH2+]C1 ZINC000902432803 584595670 /nfs/dbraw/zinc/59/56/70/584595670.db2.gz YDTLYOOYVVKDHF-AAEUAGOBSA-N 2 0 240.391 1.779 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902433313 584595987 /nfs/dbraw/zinc/59/59/87/584595987.db2.gz JGIWBTLVBDWVPS-MGPQQGTHSA-N 2 0 245.370 1.341 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902433310 584596156 /nfs/dbraw/zinc/59/61/56/584596156.db2.gz JGIWBTLVBDWVPS-HZSPNIEDSA-N 2 0 245.370 1.341 20 0 BDADRP C[C@H]1CC[NH2+]C[C@@H]1N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902436571 584596387 /nfs/dbraw/zinc/59/63/87/584596387.db2.gz ZWDQIYDJYCQVQF-OADPDTJPSA-N 2 0 245.370 1.199 20 0 BDADRP C[C@H](N[C@@H]1Cc2ccccc2[C@H]1[NH3+])[C@@H]1CCC[NH2+]1 ZINC000902435824 584596419 /nfs/dbraw/zinc/59/64/19/584596419.db2.gz VMBMRMRTWHLNKS-BSLXNSKLSA-N 2 0 245.370 1.341 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@@H]1C[NH2+]CC1(C)C)[NH2+]2 ZINC000902441230 584597844 /nfs/dbraw/zinc/59/78/44/584597844.db2.gz CTSXJYIPLLIFKD-RXGFPQBGSA-N 2 0 237.391 1.103 20 0 BDADRP CC1(C)C[NH2+]C[C@@H]1N[C@H]1CCCC[C@H]1C[NH3+] ZINC000902443206 584598562 /nfs/dbraw/zinc/59/85/62/584598562.db2.gz KQFJPHQOQRRZPU-SRVKXCTJSA-N 2 0 225.380 1.092 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+]CC2([NH3+])CC2)C12CCC2 ZINC000902413576 584599732 /nfs/dbraw/zinc/59/97/32/584599732.db2.gz OBORVLIJJYISAK-QWRGUYRKSA-N 2 0 224.348 1.415 20 0 BDADRP NOCCC[NH2+][C@H]1CCN[C@@H](c2ccccc2)C1 ZINC000902414995 584600678 /nfs/dbraw/zinc/60/06/78/584600678.db2.gz IVZYNBZPGLAOOU-UONOGXRCSA-N 2 0 249.358 1.350 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C12CCC2 ZINC000902452865 584607943 /nfs/dbraw/zinc/60/79/43/584607943.db2.gz MTGRGFATDMFNEI-GYFJUXSHSA-N 2 0 234.343 1.022 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902454786 584609618 /nfs/dbraw/zinc/60/96/18/584609618.db2.gz VQMFLDLOOAPDJK-NKBRPRPESA-N 2 0 236.359 1.412 20 0 BDADRP C[C@H]([NH2+][C@H]1CCSC(C)(C)C1)C1C[NH2+]C1 ZINC000902455850 584609847 /nfs/dbraw/zinc/60/98/47/584609847.db2.gz ZLPZRLIIEGCDER-ONGXEEELSA-N 2 0 228.405 1.858 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc2nonc2c1 ZINC000902456500 584610284 /nfs/dbraw/zinc/61/02/84/584610284.db2.gz PJZXFSUJIJBNJT-DTWKUNHWSA-N 2 0 234.303 1.438 20 0 BDADRP CC1(C)CC[N@H+](CCN[C@H]2CC[NH2+]C2(C)C)C1 ZINC000902458470 584610906 /nfs/dbraw/zinc/61/09/06/584610906.db2.gz XZWKVUXLJFABJL-LBPRGKRZSA-N 2 0 239.407 1.448 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902460861 584611469 /nfs/dbraw/zinc/61/14/69/584611469.db2.gz JPGAQKLEMFVGGZ-JZRPKSSGSA-N 2 0 223.364 1.129 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCCC(C)(C)O1)C1C[NH2+]C1 ZINC000902461540 584611810 /nfs/dbraw/zinc/61/18/10/584611810.db2.gz ONERMZIBKQHWCE-CMPLNLGQSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@H]1CC1(C)C ZINC000902464317 584613192 /nfs/dbraw/zinc/61/31/92/584613192.db2.gz CPXVQSGEWPPYEL-IYKVGLELSA-N 2 0 208.349 1.904 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@H]1CC1(C)C ZINC000902464329 584613195 /nfs/dbraw/zinc/61/31/95/584613195.db2.gz CPXVQSGEWPPYEL-PREPNJAASA-N 2 0 208.349 1.904 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902466175 584614060 /nfs/dbraw/zinc/61/40/60/584614060.db2.gz JPGAQKLEMFVGGZ-NAWOPXAZSA-N 2 0 223.364 1.129 20 0 BDADRP COCC[C@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902468320 584614922 /nfs/dbraw/zinc/61/49/22/584614922.db2.gz VAKXACDOENEBQG-PEBLQZBPSA-N 2 0 238.375 1.674 20 0 BDADRP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cncs1 ZINC000902491385 584617881 /nfs/dbraw/zinc/61/78/81/584617881.db2.gz WSBAXIVHTYLLOX-IWSPIJDZSA-N 2 0 211.334 1.531 20 0 BDADRP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cncs1 ZINC000902491384 584617979 /nfs/dbraw/zinc/61/79/79/584617979.db2.gz WSBAXIVHTYLLOX-CIUDSAMLSA-N 2 0 211.334 1.531 20 0 BDADRP CC[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cnn(C)c1 ZINC000902490871 584618013 /nfs/dbraw/zinc/61/80/13/584618013.db2.gz VQSQOUYXQDCBKW-DLOVCJGASA-N 2 0 222.336 1.198 20 0 BDADRP C[C@@H](CCCCO)[NH2+]C[C@@H]1CCCCC[NH2+]1 ZINC000902481684 584623832 /nfs/dbraw/zinc/62/38/32/584623832.db2.gz FVDOBWLCWVECOO-STQMWFEESA-N 2 0 228.380 1.659 20 0 BDADRP Cc1nc([C@@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)cs1 ZINC000902485407 584625191 /nfs/dbraw/zinc/62/51/91/584625191.db2.gz KIXWMZKSKMUOQA-SZEHBUNVSA-N 2 0 225.361 1.839 20 0 BDADRP COCC[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902486785 584625721 /nfs/dbraw/zinc/62/57/21/584625721.db2.gz RVCSUUSDGZCSHI-ZDEQEGDKSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@H](CCc1ccco1)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902486967 584626050 /nfs/dbraw/zinc/62/60/50/584626050.db2.gz FWRDWRALLLWJMX-IJLUTSLNSA-N 2 0 222.332 1.928 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1COC[C@H]1C1CC1 ZINC000902517535 584630203 /nfs/dbraw/zinc/63/02/03/584630203.db2.gz JBVCWMMCCFPNHV-VZZFWQQMSA-N 2 0 238.375 1.389 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1COC[C@@H]1C1CC1 ZINC000902518154 584631017 /nfs/dbraw/zinc/63/10/17/584631017.db2.gz LCOZYAZPXHWGBE-CRWXNKLISA-N 2 0 238.375 1.519 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2COC[C@H]2C2CC2)C12CCC2 ZINC000902521704 584631516 /nfs/dbraw/zinc/63/15/16/584631516.db2.gz STHMBWDUTQXJEC-RVMXOQNASA-N 2 0 236.359 1.271 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C/C=C/Cl ZINC000902519815 584631673 /nfs/dbraw/zinc/63/16/73/584631673.db2.gz MPYYZVSFUWELAF-VYXGOUPGSA-N 2 0 202.729 1.717 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1COC[C@H]1C1CC1 ZINC000902522110 584631864 /nfs/dbraw/zinc/63/18/64/584631864.db2.gz WKDCMRFKUZVPPI-RFQIPJPRSA-N 2 0 238.375 1.661 20 0 BDADRP Cl/C=C/C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000902523058 584632086 /nfs/dbraw/zinc/63/20/86/584632086.db2.gz ZTHYTBKPLLNAJJ-LGGRYKFQSA-N 2 0 214.740 1.717 20 0 BDADRP C[NH+](C)CCOCC[NH2+]C1C[C@H]2CCC[C@@H]2C1 ZINC000902971182 584712541 /nfs/dbraw/zinc/71/25/41/584712541.db2.gz UICWWXSIFKDVAR-CHWSQXEVSA-N 2 0 240.391 1.733 20 0 BDADRP CC[C@H]1C[C@H]([NH2+]Cc2cc(N(C)C)ccn2)CO1 ZINC000903197970 584734780 /nfs/dbraw/zinc/73/47/80/584734780.db2.gz YEIYQZOMNUFVFS-JSGCOSHPSA-N 2 0 249.358 1.805 20 0 BDADRP CC(C)CO[C@@H]1CC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903441489 584763738 /nfs/dbraw/zinc/76/37/38/584763738.db2.gz USVTZVYEAUNTRU-HZSPNIEDSA-N 2 0 240.391 1.589 20 0 BDADRP C[C@@H](c1ncccn1)[NH+]1CCC(C[NH3+])CC1 ZINC000903422031 584764079 /nfs/dbraw/zinc/76/40/79/584764079.db2.gz UAJZPVUSGYZUDZ-JTQLQIEISA-N 2 0 220.320 1.208 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+]([C@@H](C)c2ncccn2)CC1 ZINC000903422434 584764309 /nfs/dbraw/zinc/76/43/09/584764309.db2.gz CPSWBZMWDZLJSN-MNOVXSKESA-N 2 0 234.347 1.597 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccccn1 ZINC000903458629 584765297 /nfs/dbraw/zinc/76/52/97/584765297.db2.gz FTWFLLLEECIRLO-UTUOFQBUSA-N 2 0 219.332 1.860 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H]1C[NH3+] ZINC000903459195 584765971 /nfs/dbraw/zinc/76/59/71/584765971.db2.gz DQYZNSIPRHGITP-ITGHMWBKSA-N 3 0 239.407 1.419 20 0 BDADRP C[C@@H]1CC2(C[N@@H+]1CCOC1CC1)CC[NH2+]CC2 ZINC000903459376 584766207 /nfs/dbraw/zinc/76/62/07/584766207.db2.gz HWZWXUKLGVMOQS-GFCCVEGCSA-N 2 0 238.375 1.629 20 0 BDADRP [NH3+][C@@H]1Cc2ccccc2N(C[C@H]2CCC[NH2+]2)C1 ZINC000903459894 584766592 /nfs/dbraw/zinc/76/65/92/584766592.db2.gz PZQPQWFSRCVCBZ-CHWSQXEVSA-N 2 0 231.343 1.128 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cncc(F)c1 ZINC000903459778 584766908 /nfs/dbraw/zinc/76/69/08/584766908.db2.gz ZRVJYRNVFJGICC-CWSCBRNRSA-N 2 0 237.322 1.999 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@]3(C2)CCCOC3)C1 ZINC000903464250 584767512 /nfs/dbraw/zinc/76/75/12/584767512.db2.gz FDESFUHEVDECFQ-MJBXVCDLSA-N 2 0 238.375 1.616 20 0 BDADRP C[C@H]1C[C@H](N(C)C[C@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000903443659 584768518 /nfs/dbraw/zinc/76/85/18/584768518.db2.gz GVIKJUQCPQAIRC-YNEHKIRRSA-N 2 0 225.380 1.153 20 0 BDADRP CC[N@@H+]1CC[C@H](N(C)C[C@H]2CCC[NH2+]2)C[C@@H]1C ZINC000903445070 584769239 /nfs/dbraw/zinc/76/92/39/584769239.db2.gz XRTTYKMIAIRAFR-MJBXVCDLSA-N 2 0 239.407 1.543 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C/C=C\Cl ZINC000903446607 584770207 /nfs/dbraw/zinc/77/02/07/584770207.db2.gz ZNDPKWDDEINOKG-XPARGYADSA-N 2 0 214.740 1.669 20 0 BDADRP COC[C@H](C[NH2+]CC1([NH3+])CCC1)C(C)C ZINC000903447564 584770747 /nfs/dbraw/zinc/77/07/47/584770747.db2.gz YDMDRFBWISNMAB-NSHDSACASA-N 2 0 214.353 1.376 20 0 BDADRP C[C@@H]1CCN[C@@H](C)[C@@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903454830 584773487 /nfs/dbraw/zinc/77/34/87/584773487.db2.gz KETUXBGZZKQRQW-RXGFPQBGSA-N 2 0 225.380 1.090 20 0 BDADRP COCCCCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903469957 584774517 /nfs/dbraw/zinc/77/45/17/584774517.db2.gz DPWXGJMTZDAEKS-LBPRGKRZSA-N 2 0 226.364 1.677 20 0 BDADRP C[N@@H+]1CC[C@H]2CN(C[C@@H]3CC[C@H]([NH3+])C3)CC[C@@H]21 ZINC000903475818 584776654 /nfs/dbraw/zinc/77/66/54/584776654.db2.gz FADXWBLHPNWVPQ-RFGFWPKPSA-N 2 0 237.391 1.140 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCc3c(O)cccc3C2)C1 ZINC000903475016 584776666 /nfs/dbraw/zinc/77/66/66/584776666.db2.gz ZAVYBRFCMKNLQM-WCQYABFASA-N 2 0 246.354 1.878 20 0 BDADRP C[C@@H]1CC[C@H](C[NH3+])N(C[C@H]2CCC[NH2+]2)[C@@H]1C ZINC000903482770 584778794 /nfs/dbraw/zinc/77/87/94/584778794.db2.gz SBXBWVLUGMUXRQ-FDYHWXHSSA-N 2 0 225.380 1.186 20 0 BDADRP c1ccc([C@]23C[C@H]2C[N@@H+](C[C@H]2CC[NH2+]C2)C3)cc1 ZINC000903491217 584780897 /nfs/dbraw/zinc/78/08/97/584780897.db2.gz ZNSVZSAMKHZJDM-CWRNSKLLSA-N 2 0 242.366 1.869 20 0 BDADRP CC[C@H](C)C[N@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903729003 584792721 /nfs/dbraw/zinc/79/27/21/584792721.db2.gz JCQOLCQXGZGEJH-MELADBBJSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1[C@H](C)[NH2+]CCN1C[C@H]1CCCC[NH2+]C1 ZINC000903747982 584794550 /nfs/dbraw/zinc/79/45/50/584794550.db2.gz XSDDJWKMUFPILL-XQQFMLRXSA-N 2 0 225.380 1.058 20 0 BDADRP [NH3+]CC[C@H]1CCC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903747248 584794692 /nfs/dbraw/zinc/79/46/92/584794692.db2.gz QMBULJLJDSDCRQ-KGLIPLIRSA-N 3 0 239.407 1.437 20 0 BDADRP [NH3+]CC[C@H]1CCCCN1C[C@H]1CCCC[NH2+]C1 ZINC000903749903 584794941 /nfs/dbraw/zinc/79/49/41/584794941.db2.gz RWIYYNXHZFERBV-UONOGXRCSA-N 2 0 239.407 1.579 20 0 BDADRP C[C@@H]1CC[C@H](C)[N@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903734383 584796330 /nfs/dbraw/zinc/79/63/30/584796330.db2.gz YSLOXZXBSJIHPV-RQJABVFESA-N 2 0 238.375 1.628 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000903744483 584796421 /nfs/dbraw/zinc/79/64/21/584796421.db2.gz TYJQUUQOMGZWGY-RWMBFGLXSA-N 2 0 225.380 1.045 20 0 BDADRP C([C@@H]1CCCC[NH2+]C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000903744526 584796690 /nfs/dbraw/zinc/79/66/90/584796690.db2.gz UKNTUVKBKVQYPV-KGLIPLIRSA-N 2 0 237.391 1.062 20 0 BDADRP C([C@H]1CCCC[NH2+]C1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000903761001 584797355 /nfs/dbraw/zinc/79/73/55/584797355.db2.gz MQSQTKVSRBBXSE-KBPBESRZSA-N 2 0 237.391 1.204 20 0 BDADRP CC(C)[C@H]1C[NH2+]CCN1C[C@H]1CCCC[NH2+]C1 ZINC000903769788 584798136 /nfs/dbraw/zinc/79/81/36/584798136.db2.gz ODDYCSFAWVEVQY-UONOGXRCSA-N 2 0 239.407 1.306 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]C1)[C@@H]1CCCOC1 ZINC000903758516 584798831 /nfs/dbraw/zinc/79/88/31/584798831.db2.gz LQRIMCNUZKDSER-MELADBBJSA-N 2 0 240.391 1.781 20 0 BDADRP C[N@H+](CCCCCC[NH3+])C[C@H]1CCCC[NH2+]C1 ZINC000903780001 584799549 /nfs/dbraw/zinc/79/95/49/584799549.db2.gz CJXXYHMERVIOJJ-AWEZNQCLSA-N 3 0 241.423 1.827 20 0 BDADRP C([C@H]1CCCC[NH2+]C1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000903781343 584799647 /nfs/dbraw/zinc/79/96/47/584799647.db2.gz QSLQIYJAWGZDHS-MJBXVCDLSA-N 2 0 237.391 1.202 20 0 BDADRP FC[C@@H]1CC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903781868 584799736 /nfs/dbraw/zinc/79/97/36/584799736.db2.gz CCRKTFMLJVZRIL-AVGNSLFASA-N 2 0 242.338 1.046 20 0 BDADRP C[C@]12C[N@H+](CCC[NH3+])C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000903825684 584804538 /nfs/dbraw/zinc/80/45/38/584804538.db2.gz CLSJGBCBUKVDGP-QNWHQSFQSA-N 2 0 208.349 1.703 20 0 BDADRP C[C@]12C[N@H+](C[C@H]3CCC[NH2+]3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000903826321 584804849 /nfs/dbraw/zinc/80/48/49/584804849.db2.gz IDZDICKKAONDOS-VYDRJRHOSA-N 2 0 232.371 1.882 20 0 BDADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCc1ccns1)C2 ZINC000903840722 584807321 /nfs/dbraw/zinc/80/73/21/584807321.db2.gz TZPKJIDEQPYVJP-AXFHLTTASA-N 2 0 237.372 1.497 20 0 BDADRP CCc1noc(C)c1CN1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903855579 584808823 /nfs/dbraw/zinc/80/88/23/584808823.db2.gz NNMIWDFXJMHUAK-SMDDNHRTSA-N 2 0 249.358 1.859 20 0 BDADRP [NH3+]C[C@@]12CC[C@H]1CCN2C[C@@H](O)c1ccccc1 ZINC000903863424 584813216 /nfs/dbraw/zinc/81/32/16/584813216.db2.gz LVBOHLAJUKZXOP-ZNMIVQPWSA-N 2 0 246.354 1.533 20 0 BDADRP [NH3+]C[C@]12CC[C@H]1CCN2C[C@@H](O)c1ccccc1 ZINC000903863423 584813425 /nfs/dbraw/zinc/81/34/25/584813425.db2.gz LVBOHLAJUKZXOP-RRFJBIMHSA-N 2 0 246.354 1.533 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCCCN1C[C@H]([NH3+])CC(F)F ZINC000903873345 584815789 /nfs/dbraw/zinc/81/57/89/584815789.db2.gz HMNGRMPFDHVOBC-AEJSXWLSSA-N 2 0 235.322 1.171 20 0 BDADRP CC(C)[C@H]([NH3+])CCN(C)C[C@H]([NH3+])CC(F)F ZINC000903873550 584815791 /nfs/dbraw/zinc/81/57/91/584815791.db2.gz JSPWIPZNUYIEPL-NXEZZACHSA-N 2 0 237.338 1.274 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCCN(C[C@@H]([NH3+])CC(F)F)C1 ZINC000903874034 584815888 /nfs/dbraw/zinc/81/58/88/584815888.db2.gz QXNIQDSYXIHCNK-AEJSXWLSSA-N 2 0 235.322 1.028 20 0 BDADRP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000903874372 584816001 /nfs/dbraw/zinc/81/60/01/584816001.db2.gz YZOPLXGOAFHKOK-FLTXBFBQSA-N 2 0 249.402 1.343 20 0 BDADRP C[C@H](O)C(C)(C)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903902168 584820763 /nfs/dbraw/zinc/82/07/63/584820763.db2.gz DLCXRXOQZOBDKQ-NSHDSACASA-N 2 0 248.370 1.581 20 0 BDADRP CCCC[C@@H](COC)[NH2+]CCC(C)(C)[NH3+] ZINC000903939518 584822265 /nfs/dbraw/zinc/82/22/65/584822265.db2.gz IDLVOLFIROQNSQ-NSHDSACASA-N 2 0 216.369 1.909 20 0 BDADRP CCC([NH3+])(CC)CNC[C@H]([NH3+])CC(F)F ZINC000903918337 584822267 /nfs/dbraw/zinc/82/22/67/584822267.db2.gz XASZOQHGLBUBBZ-MRVPVSSYSA-N 2 0 223.311 1.076 20 0 BDADRP [NH3+]CC[C@@H]1CCCCN1C[C@H]([NH3+])CC(F)F ZINC000903918414 584822286 /nfs/dbraw/zinc/82/22/86/584822286.db2.gz ZCMNLNIDRXHJTL-ZJUUUORDSA-N 2 0 235.322 1.172 20 0 BDADRP C[NH2+]Cc1ccc(NC[C@H]([NH3+])CC(F)F)cc1 ZINC000903919001 584823111 /nfs/dbraw/zinc/82/31/11/584823111.db2.gz KFQCBQSABNYPRZ-SNVBAGLBSA-N 2 0 243.301 1.800 20 0 BDADRP C[C@@H]([NH3+])[C@@H](C)NCc1cccc2c1CC[NH2+]C2 ZINC000903920511 584823420 /nfs/dbraw/zinc/82/34/20/584823420.db2.gz VMCQAJIKTUZYLX-GHMZBOCLSA-N 2 0 233.359 1.158 20 0 BDADRP CC[C@H](C)[NH2+]C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903925892 584823577 /nfs/dbraw/zinc/82/35/77/584823577.db2.gz ISYADHQOKFTSGL-JQWIXIFHSA-N 2 0 238.379 1.234 20 0 BDADRP Cc1c(C[C@H](C[NH3+])C[NH2+]CC(C)C)cnn1C ZINC000903924286 584823669 /nfs/dbraw/zinc/82/36/69/584823669.db2.gz BJSNCDZXSKKNQG-GFCCVEGCSA-N 2 0 238.379 1.092 20 0 BDADRP [NH3+]Cc1ccc(CNC[C@H]([NH3+])CC(F)F)cc1 ZINC000903931420 584825117 /nfs/dbraw/zinc/82/51/17/584825117.db2.gz DGMSTWLJCRSROL-LLVKDONJSA-N 2 0 243.301 1.217 20 0 BDADRP C1=C[C@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903934100 584825202 /nfs/dbraw/zinc/82/52/02/584825202.db2.gz ZYIHWCNITSGNHW-FOIKRFTLSA-N 2 0 206.333 1.825 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H](NC[C@@H]([NH3+])CC(F)F)C1 ZINC000903934885 584825450 /nfs/dbraw/zinc/82/54/50/584825450.db2.gz KCTCKJSBMRJCRT-VHSXEESVSA-N 2 0 249.349 1.337 20 0 BDADRP C[C@H](C[NH2+]C[C@H]([NH3+])CC(F)F)c1ccncc1 ZINC000903935511 584825923 /nfs/dbraw/zinc/82/59/23/584825923.db2.gz QVOZZYQXCNBYAX-MWLCHTKSSA-N 2 0 243.301 1.757 20 0 BDADRP C[C@H]1CN(CC(C)(C)[NH3+])CCN1c1cc[nH+]cc1 ZINC000903937433 584826174 /nfs/dbraw/zinc/82/61/74/584826174.db2.gz KSGKTFHOMZNXHR-LBPRGKRZSA-N 2 0 248.374 1.329 20 0 BDADRP C[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccnn1C ZINC000903937392 584826281 /nfs/dbraw/zinc/82/62/81/584826281.db2.gz KARARZYXONWFTE-WODVXLOZSA-N 2 0 248.374 1.601 20 0 BDADRP C[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1(CN)CCC1 ZINC000903915840 584827022 /nfs/dbraw/zinc/82/70/22/584827022.db2.gz CGOWKBIUJNGPFH-YHWZYXNKSA-N 2 0 237.391 1.330 20 0 BDADRP [NH3+][C@@H](CNC[C@@H]([NH3+])c1ccccc1)CC(F)F ZINC000903918044 584827081 /nfs/dbraw/zinc/82/70/81/584827081.db2.gz QYPUHQUBVTYHMG-GHMZBOCLSA-N 2 0 243.301 1.259 20 0 BDADRP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000903918197 584827132 /nfs/dbraw/zinc/82/71/32/584827132.db2.gz UWKVBMGTUZNBAZ-HKJOBYGYSA-N 3 0 249.402 1.201 20 0 BDADRP CCOC[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903957902 584827601 /nfs/dbraw/zinc/82/76/01/584827601.db2.gz UJYSDNQQNWQYRS-UWVGGRQHSA-N 2 0 236.306 1.246 20 0 BDADRP C[C@@H](C[C@@H]1CCC[NH2+]1)NCCC(C)(C)[NH3+] ZINC000903939959 584828863 /nfs/dbraw/zinc/82/88/63/584828863.db2.gz RMEHNQKNXBREKU-QWRGUYRKSA-N 2 0 213.369 1.234 20 0 BDADRP Nc1ccnc(C[NH2+]C2CCC([NH3+])CC2)c1 ZINC000903953659 584831396 /nfs/dbraw/zinc/83/13/96/584831396.db2.gz IMWMNGHQOQTXDB-UHFFFAOYSA-N 2 0 220.320 1.023 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]CC1(F)CC1 ZINC000903978276 584832868 /nfs/dbraw/zinc/83/28/68/584832868.db2.gz DABIJPDQXBPGTD-NXEZZACHSA-N 2 0 200.301 1.324 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cnc(N)s2)C[C@H]1CC[NH3+] ZINC000903978202 584833159 /nfs/dbraw/zinc/83/31/59/584833159.db2.gz JSHKRGQMDCVLFU-RKDXNWHRSA-N 2 0 240.376 1.142 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccccc1N(C)C ZINC000903964579 584833871 /nfs/dbraw/zinc/83/38/71/584833871.db2.gz LNTSVBYUVAADPI-OCCSQVGLSA-N 2 0 247.386 1.698 20 0 BDADRP C[C@@H](CC1CCOCC1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903966735 584834481 /nfs/dbraw/zinc/83/44/81/584834481.db2.gz ANBQIAKABPMILH-DYEKYZERSA-N 2 0 240.391 1.637 20 0 BDADRP CC(C)C[C@H]([NH3+])C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000903986161 584835376 /nfs/dbraw/zinc/83/53/76/584835376.db2.gz HAZYYCONARHXRP-XQQFMLRXSA-N 2 0 226.364 1.517 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)C1 ZINC000904297377 584860135 /nfs/dbraw/zinc/86/01/35/584860135.db2.gz KQNPVRIPXDJSMK-MQYQWHSLSA-N 3 0 237.391 1.188 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CN1CC[NH2+]CC1 ZINC000904297668 584860296 /nfs/dbraw/zinc/86/02/96/584860296.db2.gz NOSGBZJTZKFMSA-NSHDSACASA-N 2 0 213.369 1.045 20 0 BDADRP C[NH2+]C1CCN(C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000904300034 584860629 /nfs/dbraw/zinc/86/06/29/584860629.db2.gz UPKUCBLSVLYITG-ZDUSSCGKSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CCCCN1Cc1ccc(C[NH3+])cc1 ZINC000904299485 584860732 /nfs/dbraw/zinc/86/07/32/584860732.db2.gz FQGOJEYBISLBHM-IUODEOHRSA-N 2 0 247.386 1.847 20 0 BDADRP C[NH2+]CC1CC[NH+](C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000904299562 584860751 /nfs/dbraw/zinc/86/07/51/584860751.db2.gz HYQOKWYLNFVUCY-AWEZNQCLSA-N 3 0 239.407 1.308 20 0 BDADRP CCCCC[N@H+](CCO)C[C@@]1(C)CCC[NH2+]C1 ZINC000904307076 584862353 /nfs/dbraw/zinc/86/23/53/584862353.db2.gz KCHZTUKAJROQFC-AWEZNQCLSA-N 2 0 242.407 1.861 20 0 BDADRP Cc1cc([C@H]2CCC[N@@H+]2C[C@H]2C[C@@H]([NH3+])C2)no1 ZINC000904309237 584862509 /nfs/dbraw/zinc/86/25/09/584862509.db2.gz DYUZFCCHSJTAOU-NTZNESFSSA-N 2 0 235.331 1.857 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@H](c3ccccn3)C2)C1 ZINC000904337007 584863189 /nfs/dbraw/zinc/86/31/89/584863189.db2.gz MGDRRWCSOBJRIC-RWMBFGLXSA-N 2 0 231.343 1.608 20 0 BDADRP CC(C)(C)N1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904314469 584863278 /nfs/dbraw/zinc/86/32/78/584863278.db2.gz YHYHNXCXLFZXMO-BETUJISGSA-N 2 0 239.407 1.530 20 0 BDADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904325191 584865331 /nfs/dbraw/zinc/86/53/31/584865331.db2.gz SECSCLOUIZQHSB-MELADBBJSA-N 3 0 239.407 1.387 20 0 BDADRP COc1ccc(C[N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)cn1 ZINC000904332164 584866113 /nfs/dbraw/zinc/86/61/13/584866113.db2.gz NTVSQCNRZJSMNZ-TXEJJXNPSA-N 2 0 235.331 1.259 20 0 BDADRP C[C@@H]1C[N@H+](C[C@]2(C)CCC[NH2+]C2)CC[C@@H]1O ZINC000904341480 584867071 /nfs/dbraw/zinc/86/70/71/584867071.db2.gz RWKLUHKDQLUERY-FRRDWIJNSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@H]1CC2(CCC2)C[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904347189 584868256 /nfs/dbraw/zinc/86/82/56/584868256.db2.gz DZGJEZOCSRSWMR-SDDRHHMPSA-N 2 0 208.349 1.988 20 0 BDADRP [NH3+]CC1CC(NCC[NH2+]C2CCCCCC2)C1 ZINC000904350635 584869093 /nfs/dbraw/zinc/86/90/93/584869093.db2.gz NXOUKHRHVPJDAB-UHFFFAOYSA-N 2 0 239.407 1.626 20 0 BDADRP C[C@H]1[C@@H]([NH3+])CCN1Cc1ccc(C[NH3+])cc1 ZINC000904349830 584869175 /nfs/dbraw/zinc/86/91/75/584869175.db2.gz CXIIFNWTUNSCAW-GWCFXTLKSA-N 2 0 219.332 1.067 20 0 BDADRP CC(C)[C@H]([NH3+])CNC[C@H]([NH3+])CCC(C)(C)C ZINC000904351474 584869384 /nfs/dbraw/zinc/86/93/84/584869384.db2.gz ZGECHFNBZBJDNQ-VXGBXAGGSA-N 2 0 229.412 1.713 20 0 BDADRP [NH3+]C1(CNCc2nccn2C2CC2)CCC1 ZINC000904353177 584869987 /nfs/dbraw/zinc/86/99/87/584869987.db2.gz HRDMUZAVGCOZJQ-UHFFFAOYSA-N 2 0 220.320 1.189 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CNC[C@H]1CCC[NH2+]C1 ZINC000904353444 584870007 /nfs/dbraw/zinc/87/00/07/584870007.db2.gz MUQVJDWINHSPSG-STQMWFEESA-N 3 0 241.423 1.729 20 0 BDADRP C[C@]1(CNC[C@H]2CCCC[NH2+]2)CCC[NH2+]C1 ZINC000904353233 584870046 /nfs/dbraw/zinc/87/00/46/584870046.db2.gz JNGTZAJZFFKSTO-OLZOCXBDSA-N 3 0 225.380 1.108 20 0 BDADRP [NH3+]Cc1ccc(CNC[C@H]2CCCC[NH2+]2)cc1 ZINC000904354080 584870318 /nfs/dbraw/zinc/87/03/18/584870318.db2.gz VVIYBIOQTBOJIP-CQSZACIVSA-N 2 0 233.359 1.377 20 0 BDADRP C[C@@H](CC[NH3+])NC[C@@H]([NH3+])CCC(C)(C)C ZINC000904355391 584870838 /nfs/dbraw/zinc/87/08/38/584870838.db2.gz NAIOREJYPIRSIJ-QWRGUYRKSA-N 2 0 215.385 1.467 20 0 BDADRP [NH3+]CC1CC(Nc2ccc3c(c2)C[NH2+]CCO3)C1 ZINC000904354661 584870903 /nfs/dbraw/zinc/87/09/03/584870903.db2.gz IPJSJLRBGZMMJW-UHFFFAOYSA-N 2 0 247.342 1.318 20 0 BDADRP C[C@]1(CNC[C@@]2(C)CCC[NH2+]C2)CCC[NH2+]C1 ZINC000904355170 584870982 /nfs/dbraw/zinc/87/09/82/584870982.db2.gz LFULMUGOMSTYBL-KBPBESRZSA-N 2 0 239.407 1.355 20 0 BDADRP C[C@H](CC[NH3+])[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000904356736 584871307 /nfs/dbraw/zinc/87/13/07/584871307.db2.gz ZGADYSCTXWSHIT-LLVKDONJSA-N 2 0 249.358 1.215 20 0 BDADRP C[C@@H](CC[NH3+])[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000904356737 584871340 /nfs/dbraw/zinc/87/13/40/584871340.db2.gz ZGADYSCTXWSHIT-NSHDSACASA-N 2 0 249.358 1.215 20 0 BDADRP [NH3+]CC1CC([NH2+]CCc2ccccc2F)C1 ZINC000904359582 584871761 /nfs/dbraw/zinc/87/17/61/584871761.db2.gz CBEIFDCHINKWOF-UHFFFAOYSA-N 2 0 222.307 1.695 20 0 BDADRP COc1ccc(CC[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000904362258 584871813 /nfs/dbraw/zinc/87/18/13/584871813.db2.gz KSTSNVIRLPQYBL-BETUJISGSA-N 2 0 234.343 1.565 20 0 BDADRP CCN1CCCC[C@H]1C[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904362592 584871875 /nfs/dbraw/zinc/87/18/75/584871875.db2.gz OPGVQYYNOFCRBN-XQQFMLRXSA-N 2 0 225.380 1.188 20 0 BDADRP Cc1cccc(OCC[NH2+]C[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000904368744 584872640 /nfs/dbraw/zinc/87/26/40/584872640.db2.gz VALMFMVAWHDBTB-BETUJISGSA-N 2 0 234.343 1.701 20 0 BDADRP CCCC[NH+]1CCC([NH2+]C2CC(C[NH3+])C2)CC1 ZINC000904363115 584874316 /nfs/dbraw/zinc/87/43/16/584874316.db2.gz BHFYTOIDUMSWSP-UHFFFAOYSA-N 3 0 239.407 1.578 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1NC[C@@H]([NH3+])CCC(C)(C)C ZINC000904389429 584875328 /nfs/dbraw/zinc/87/53/28/584875328.db2.gz XVSOOSLTJWVQTG-GRYCIOLGSA-N 2 0 227.396 1.338 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C2(CCC2)CO1 ZINC000904375679 584875545 /nfs/dbraw/zinc/87/55/45/584875545.db2.gz FENNSHORGMWHIL-UTUOFQBUSA-N 2 0 224.348 1.367 20 0 BDADRP CC1(C)CN(Cc2ccc(C[NH3+])cc2)C[C@@H]1[NH3+] ZINC000904389201 584875731 /nfs/dbraw/zinc/87/57/31/584875731.db2.gz TWVTYRVYEBCSCR-ZDUSSCGKSA-N 2 0 233.359 1.314 20 0 BDADRP [NH3+]CC1(CC[NH2+]Cc2nccn2C2CC2)CC1 ZINC000904376234 584876028 /nfs/dbraw/zinc/87/60/28/584876028.db2.gz NCBXAECVKJGLBN-UHFFFAOYSA-N 2 0 234.347 1.437 20 0 BDADRP Nc1ccc2c(c1)CC[C@H]2[NH2+]C1CC(C[NH3+])C1 ZINC000904377087 584876067 /nfs/dbraw/zinc/87/60/67/584876067.db2.gz JLEFEKPKNDEQFY-WIQPZXRYSA-N 2 0 231.343 1.583 20 0 BDADRP C[C@H](CO)C1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904376916 584876318 /nfs/dbraw/zinc/87/63/18/584876318.db2.gz YTOWZOVQTRYRIC-WZRBSPASSA-N 2 0 226.364 1.064 20 0 BDADRP C[C@@]1(CNCC2([NH3+])CCCC2)CCC[NH2+]C1 ZINC000904376785 584876384 /nfs/dbraw/zinc/87/63/84/584876384.db2.gz FMTRNXSZABIDJD-GFCCVEGCSA-N 2 0 225.380 1.237 20 0 BDADRP C[N@@H+](CC1=CCSC1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904378957 584876668 /nfs/dbraw/zinc/87/66/68/584876668.db2.gz NQTGKHMWUGGXSW-PHIMTYICSA-N 2 0 212.362 1.329 20 0 BDADRP [NH3+]Cc1ccc(CN2CCCCC[C@@H]([NH3+])C2)cc1 ZINC000904380411 584876702 /nfs/dbraw/zinc/87/67/02/584876702.db2.gz BTAJSCXEGJNREN-OAHLLOKOSA-N 2 0 247.386 1.849 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000904384459 584877115 /nfs/dbraw/zinc/87/71/15/584877115.db2.gz KUWSOSQVGJDPFV-RWMBFGLXSA-N 2 0 239.407 1.576 20 0 BDADRP [NH3+]Cc1ccc(CN[C@@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC000904385281 584877680 /nfs/dbraw/zinc/87/76/80/584877680.db2.gz UPQBGIJYQPZWAJ-HUUCEWRRSA-N 3 0 245.370 1.520 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)C1 ZINC000904385732 584877966 /nfs/dbraw/zinc/87/79/66/584877966.db2.gz DDWCTMILXOUKKS-NDBYEHHHSA-N 2 0 224.348 1.225 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](CC[NH3+])C2)CC[NH2+]1 ZINC000904407107 584878651 /nfs/dbraw/zinc/87/86/51/584878651.db2.gz NITMXAUTXWEEQC-JHJVBQTASA-N 3 0 225.380 1.045 20 0 BDADRP Cc1ccc(CCC[N@@H+]2CC[C@@H](CC[NH3+])C2)cn1 ZINC000904405303 584878671 /nfs/dbraw/zinc/87/86/71/584878671.db2.gz KIVMICUSZDCRQB-OAHLLOKOSA-N 2 0 247.386 1.993 20 0 BDADRP C[C@H]1C[N@H+](CC2(F)CC2)CC[C@@H]1C[NH3+] ZINC000904409745 584878973 /nfs/dbraw/zinc/87/89/73/584878973.db2.gz HMDWKTTZKSMIMH-VHSXEESVSA-N 2 0 200.301 1.405 20 0 BDADRP Cc1n[nH]cc1C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000904412326 584879730 /nfs/dbraw/zinc/87/97/30/584879730.db2.gz SCVUIHPXPRRHSU-MWLCHTKSSA-N 2 0 222.336 1.135 20 0 BDADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)C2CC2)C1 ZINC000838859181 585075763 /nfs/dbraw/zinc/07/57/63/585075763.db2.gz DGCOSJJRXHWWJZ-JSGCOSHPSA-N 2 0 240.391 1.421 20 0 BDADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCF)C1 ZINC000759347556 585367263 /nfs/dbraw/zinc/36/72/63/585367263.db2.gz QETYOFVRWKNXQL-LBPRGKRZSA-N 2 0 232.343 1.389 20 0 BDADRP CC[C@H]([NH2+]CCN1CCC[C@@H]1C)[C@@H]1CCOC1 ZINC000766272016 585500182 /nfs/dbraw/zinc/50/01/82/585500182.db2.gz WYURLAKBHQILGH-MJBXVCDLSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]1C[N@H+](C)[C@@H](C)CN1CC[NH+]1CCCC1 ZINC000768770515 585543367 /nfs/dbraw/zinc/54/33/67/585543367.db2.gz HNIMBBVEVZZZMV-STQMWFEESA-N 2 0 225.380 1.107 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@H](CCO)C1CC1 ZINC000771799070 585600533 /nfs/dbraw/zinc/60/05/33/585600533.db2.gz JEWRGIVRSVOHTM-ZIAGYGMSSA-N 2 0 240.391 1.611 20 0 BDADRP CCC[NH+]1CCC(C[NH2+][C@H](C)CCO)CC1 ZINC000779400343 585753423 /nfs/dbraw/zinc/75/34/23/585753423.db2.gz MOFHPSPFQZAFMR-GFCCVEGCSA-N 2 0 228.380 1.469 20 0 BDADRP COC[C@@H]1CCC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000788484020 585925138 /nfs/dbraw/zinc/92/51/38/585925138.db2.gz UQOJIVGLJMXITK-CQSZACIVSA-N 2 0 240.391 1.687 20 0 BDADRP CC[C@H]1C[N@H+](CC2CC[NH+](C)CC2)CCO1 ZINC000788474877 585925389 /nfs/dbraw/zinc/92/53/89/585925389.db2.gz LCCLGPHFQYEJQX-ZDUSSCGKSA-N 2 0 226.364 1.439 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CC[C@@]3(CCOC3)C2)CC1 ZINC000788489127 585925584 /nfs/dbraw/zinc/92/55/84/585925584.db2.gz VOHDITQIOJLIKC-CQSZACIVSA-N 2 0 238.375 1.441 20 0 BDADRP CC[NH+](CC)[C@H](C)CNc1cc(C)[nH+]c(N)n1 ZINC000795208394 586072144 /nfs/dbraw/zinc/07/21/44/586072144.db2.gz PUQZTGUUPSLZKC-SNVBAGLBSA-N 2 0 237.351 1.509 20 0 BDADRP COCC[C@@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000815145565 586670400 /nfs/dbraw/zinc/67/04/00/586670400.db2.gz YRASEMYZGWLUPB-ZIAGYGMSSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@@H]1CN(CC[NH+]2CCCC2)C[C@H](C)[N@H+]1C ZINC000815180898 586672794 /nfs/dbraw/zinc/67/27/94/586672794.db2.gz YXMLLFKSKFCUPR-BETUJISGSA-N 2 0 225.380 1.107 20 0 BDADRP CCc1cc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])[nH]n1 ZINC000817891564 586833388 /nfs/dbraw/zinc/83/33/88/586833388.db2.gz DFEWCEVRJBJPSO-BXKDBHETSA-N 2 0 222.336 1.189 20 0 BDADRP CCCCCC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000817893236 586833939 /nfs/dbraw/zinc/83/39/39/586833939.db2.gz CZJQTYLBJVVSLX-YNEHKIRRSA-N 2 0 228.380 1.909 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCOc1cccnc1 ZINC000817894431 586834004 /nfs/dbraw/zinc/83/40/04/586834004.db2.gz YTEMFCZULAGTOQ-TZMCWYRMSA-N 2 0 249.358 1.568 20 0 BDADRP CSC(C)(C)C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000817898636 586834778 /nfs/dbraw/zinc/83/47/78/586834778.db2.gz IKTDKELPHVPBRW-IUCAKERBSA-N 2 0 204.383 1.843 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000817901546 586835708 /nfs/dbraw/zinc/83/57/08/586835708.db2.gz WTZQFJKOPBZGBH-OUJBWJOFSA-N 2 0 240.322 1.575 20 0 BDADRP Cc1cccc([C@@H](O)C[NH2+][C@@H](C)C2C[NH2+]C2)c1 ZINC000817910777 586837228 /nfs/dbraw/zinc/83/72/28/586837228.db2.gz XQQGZSBFUCDUIH-FZMZJTMJSA-N 2 0 234.343 1.226 20 0 BDADRP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000817905245 586837392 /nfs/dbraw/zinc/83/73/92/586837392.db2.gz KYVZDLJUIMBASC-XUJVJEKNSA-N 2 0 248.370 1.696 20 0 BDADRP Cc1cccc([C@H](O)C[NH2+][C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000817910549 586838283 /nfs/dbraw/zinc/83/82/83/586838283.db2.gz VUMBNBXUZAIFJW-RRFJBIMHSA-N 2 0 248.370 1.745 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@]1(O)CCc2ccccc21 ZINC000817916168 586839272 /nfs/dbraw/zinc/83/92/72/586839272.db2.gz AOHBZBWOKUJDIZ-ZOWXZIJZSA-N 2 0 248.370 1.536 20 0 BDADRP C[C@H]1CCC[N@@H+]1CCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000817913651 586839548 /nfs/dbraw/zinc/83/95/48/586839548.db2.gz PNMXYOWBRRLMLB-HZSPNIEDSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C1CCC(C)(O)CC1 ZINC000817913806 586839699 /nfs/dbraw/zinc/83/96/99/586839699.db2.gz SWADAPKEYKFGFC-NELGMTEASA-N 2 0 240.391 1.658 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000817917286 586840104 /nfs/dbraw/zinc/84/01/04/586840104.db2.gz ANANEGMRBBFHEV-TUAOUCFPSA-N 2 0 242.363 1.388 20 0 BDADRP CC[C@@H]([NH2+]CCC1(C)OCCO1)[C@@H]1CCC[NH2+]1 ZINC000817922453 586840620 /nfs/dbraw/zinc/84/06/20/586840620.db2.gz GPGVEBCTKPVLHU-NEPJUHHUSA-N 2 0 242.363 1.260 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](CCO)C1CC1 ZINC000817918679 586840804 /nfs/dbraw/zinc/84/08/04/586840804.db2.gz MONIXOSCGKDAFT-PWSUYJOCSA-N 2 0 214.353 1.255 20 0 BDADRP C[C@@H]([NH2+]CC[C@@](C)(O)c1ccccc1)C1C[NH2+]C1 ZINC000817923944 586841455 /nfs/dbraw/zinc/84/14/55/586841455.db2.gz ITLMSBPKNRVUKD-IUODEOHRSA-N 2 0 248.370 1.482 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@@H]1CCC=CO1 ZINC000817924719 586841714 /nfs/dbraw/zinc/84/17/14/586841714.db2.gz VGVGKNHYVAFIOT-YNEHKIRRSA-N 2 0 224.348 1.929 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+][C@H](CCO)Cc1ccccc1 ZINC000817928774 586842261 /nfs/dbraw/zinc/84/22/61/586842261.db2.gz AKGPHPYGDIYURG-RBSFLKMASA-N 2 0 248.370 1.450 20 0 BDADRP CCc1ccc([C@@H](O)C[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000817929267 586842315 /nfs/dbraw/zinc/84/23/15/586842315.db2.gz LSORZKOKMYOVRG-ABAIWWIYSA-N 2 0 248.370 1.480 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(CC[NH3+])cc2)CCO1 ZINC000817948776 586847015 /nfs/dbraw/zinc/84/70/15/586847015.db2.gz LKFSOGINAJBZID-WFASDCNBSA-N 2 0 248.370 1.845 20 0 BDADRP C[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)[C@H]1CCCO1 ZINC000817948985 586847035 /nfs/dbraw/zinc/84/70/35/586847035.db2.gz MXEDJKPCPLLQNZ-SWLSCSKDSA-N 2 0 248.370 1.845 20 0 BDADRP Cc1cc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)n(C)n1 ZINC000817970158 586857269 /nfs/dbraw/zinc/85/72/69/586857269.db2.gz MTMLYCUIBBEXTR-SRVKXCTJSA-N 2 0 236.363 1.649 20 0 BDADRP C[C@H]([NH2+]C[C@@H](O)C1CC1)C(C)(C)C[NH+](C)C ZINC000819101543 586930813 /nfs/dbraw/zinc/93/08/13/586930813.db2.gz AOZISKVYDCKXEX-CMPLNLGQSA-N 2 0 228.380 1.323 20 0 BDADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)C2CC2)C1 ZINC000819365995 586957782 /nfs/dbraw/zinc/95/77/82/586957782.db2.gz GJOSNCGZYUYPDO-WCQYABFASA-N 2 0 226.364 1.079 20 0 BDADRP CC[C@H](NC(=O)C[NH+]1CCCC1)c1ncc[nH]1 ZINC000822007316 587149068 /nfs/dbraw/zinc/14/90/68/587149068.db2.gz GJYRLDKCGHAPMB-JTQLQIEISA-N 2 0 236.319 1.073 20 0 BDADRP C[NH+](C)CCCC[NH2+]Cc1cc(F)ncc1F ZINC000823736413 587238554 /nfs/dbraw/zinc/23/85/54/587238554.db2.gz ARJGVUXRBWTTIR-UHFFFAOYSA-N 2 0 243.301 1.791 20 0 BDADRP OC[C@H]([C@@H]([NH2+]Cc1cnc[nH]1)C1CC1)C1CC1 ZINC000831653804 587626673 /nfs/dbraw/zinc/62/66/73/587626673.db2.gz ABZRLRJUNZPAIE-STQMWFEESA-N 2 0 235.331 1.296 20 0 BDADRP [NH3+]CCCCCCC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000834860871 587768824 /nfs/dbraw/zinc/76/88/24/587768824.db2.gz FEXGMJIKBMZPJY-NEPJUHHUSA-N 2 0 241.379 1.139 20 0 BDADRP COC(=O)CC(C)(C)[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000841009845 587934745 /nfs/dbraw/zinc/93/47/45/587934745.db2.gz IBIQWKLNBAQGJU-MNOVXSKESA-N 2 0 242.363 1.306 20 0 BDADRP CC(C)([NH3+])C[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000841031523 587936250 /nfs/dbraw/zinc/93/62/50/587936250.db2.gz UTURVNBXKVFALF-OPRDCNLKSA-N 2 0 246.445 1.693 20 0 BDADRP [NH3+]CC1(CNc2ccc3c(c2)C[NH2+]CCO3)CC1 ZINC000841081861 587944863 /nfs/dbraw/zinc/94/48/63/587944863.db2.gz HEFLGQOTRZOGHA-UHFFFAOYSA-N 2 0 247.342 1.319 20 0 BDADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cccnc2Cl)C1 ZINC000841084439 587945567 /nfs/dbraw/zinc/94/55/67/587945567.db2.gz JKMHMTKHZBBIIL-MWLCHTKSSA-N 2 0 239.750 1.952 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)c1cccc(C[NH3+])c1 ZINC000841848426 587977120 /nfs/dbraw/zinc/97/71/20/587977120.db2.gz KVOWYQQPLFPFKQ-ZDUSSCGKSA-N 2 0 249.358 1.393 20 0 BDADRP [NH3+]CCCCCCc1nc(C2([NH3+])CCC2)no1 ZINC000842616254 588045658 /nfs/dbraw/zinc/04/56/58/588045658.db2.gz QVAJDRAUXAXNLA-UHFFFAOYSA-N 2 0 238.335 1.469 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccc3c(c2)COC3)CC[C@@H]1[NH3+] ZINC000843051687 588076832 /nfs/dbraw/zinc/07/68/32/588076832.db2.gz KKFYQMSOJUEKIO-ABAIWWIYSA-N 2 0 246.354 1.886 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccc3c(c2)COC3)CC[C@H]1[NH3+] ZINC000843051692 588076919 /nfs/dbraw/zinc/07/69/19/588076919.db2.gz KKFYQMSOJUEKIO-XHDPSFHLSA-N 2 0 246.354 1.886 20 0 BDADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C[C@@H]1CCC[NH2+]C1 ZINC000843053943 588077283 /nfs/dbraw/zinc/07/72/83/588077283.db2.gz MNRNUOBIEUCAAD-RLAWYHOSSA-N 2 0 237.391 1.330 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc3c(c2)COC3)C1 ZINC000843057888 588077498 /nfs/dbraw/zinc/07/74/98/588077498.db2.gz NLRHBZVDAGCVGU-AAEUAGOBSA-N 2 0 246.354 1.886 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+](C)C2CCC([NH3+])CC2)CC[NH2+]1 ZINC000843054830 588077649 /nfs/dbraw/zinc/07/76/49/588077649.db2.gz JSMRNBFNQBJVLZ-IWMBGFJWSA-N 3 0 239.407 1.576 20 0 BDADRP C[C@H]1C[C@H](C[NH2+]C2CCC([NH3+])CC2)CC[NH2+]1 ZINC000843105752 588081515 /nfs/dbraw/zinc/08/15/15/588081515.db2.gz ZZZFKRKEFBNAOJ-ZFDZMSFRSA-N 3 0 225.380 1.234 20 0 BDADRP [NH3+]C1CCC([NH2+]Cc2ccc3c[nH]nc3c2)CC1 ZINC000843104927 588081741 /nfs/dbraw/zinc/08/17/41/588081741.db2.gz OUZAIYDLRRPWPO-UHFFFAOYSA-N 2 0 244.342 1.922 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCCCC[NH3+])[C@H](C)C1 ZINC000843126545 588084494 /nfs/dbraw/zinc/08/44/94/588084494.db2.gz IOFGVLJKQOKKAB-ZIAGYGMSSA-N 2 0 241.423 1.825 20 0 BDADRP [NH3+]CCCCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000843126889 588084803 /nfs/dbraw/zinc/08/48/03/588084803.db2.gz AUEMSXDACIIPCT-HZSPNIEDSA-N 3 0 239.407 1.483 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+]CCCCCC[NH3+] ZINC000843128346 588085223 /nfs/dbraw/zinc/08/52/23/588085223.db2.gz JEDXGRFFJDXPQO-GFCCVEGCSA-N 2 0 224.352 1.380 20 0 BDADRP CC(C)(C)[NH2+]CC[NH2+]CCCCCC[NH3+] ZINC000843128375 588085304 /nfs/dbraw/zinc/08/53/04/588085304.db2.gz JGKMNLBFESXUMC-UHFFFAOYSA-N 2 0 215.385 1.483 20 0 BDADRP C[NH2+]Cc1ccccc1NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000843308288 588099098 /nfs/dbraw/zinc/09/90/98/588099098.db2.gz XBGWVOICLRIGJB-GFCCVEGCSA-N 2 0 247.342 1.472 20 0 BDADRP c1cn2c(n1)[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)CC2 ZINC000843341091 588100926 /nfs/dbraw/zinc/10/09/26/588100926.db2.gz ZEIZKACYKIUGIK-YVECIDJPSA-N 2 0 246.358 1.306 20 0 BDADRP C[C@@H]([NH2+]CCCCCC[NH3+])[C@@H]1CCCOC1 ZINC000843341269 588101096 /nfs/dbraw/zinc/10/10/96/588101096.db2.gz HZDUXERAFTWSFW-CHWSQXEVSA-N 2 0 228.380 1.910 20 0 BDADRP C[C@H]([NH2+]CCCCCC[NH3+])c1ncc[nH]1 ZINC000843340835 588101104 /nfs/dbraw/zinc/10/11/04/588101104.db2.gz FSFKVSYXDIXMHS-JTQLQIEISA-N 2 0 210.325 1.579 20 0 BDADRP C[C@H]([NH2+]CCCCCC[NH3+])[C@@H]1CCCO1 ZINC000843342730 588101551 /nfs/dbraw/zinc/10/15/51/588101551.db2.gz SRSPKCZFCNBOQM-RYUDHWBXSA-N 2 0 214.353 1.663 20 0 BDADRP [NH3+]CCCCCCC[NH+]1CCC(C[NH3+])CC1 ZINC000843345111 588101808 /nfs/dbraw/zinc/10/18/08/588101808.db2.gz TXRXKIYTNQBFLZ-UHFFFAOYSA-N 3 0 227.396 1.566 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCCCCC[NH3+] ZINC000843344310 588102103 /nfs/dbraw/zinc/10/21/03/588102103.db2.gz VCWUSZXJDJFULE-QWRGUYRKSA-N 3 0 201.358 1.221 20 0 BDADRP CCCOC(=O)[C@@H](C)[N@H+](C)C1CCC([NH3+])CC1 ZINC000843354932 588103065 /nfs/dbraw/zinc/10/30/65/588103065.db2.gz MFOVXFQHUJGJJP-VOMCLLRMSA-N 2 0 242.363 1.530 20 0 BDADRP C[N@H+](CCC1CC[NH2+]CC1)C1CCC([NH3+])CC1 ZINC000843355070 588103228 /nfs/dbraw/zinc/10/32/28/588103228.db2.gz LBSSTDUFIKZNAH-UHFFFAOYSA-N 3 0 239.407 1.578 20 0 BDADRP CCCCOC(=O)CC[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000843362616 588104288 /nfs/dbraw/zinc/10/42/88/588104288.db2.gz LENQZZPCENNHAH-NWDGAFQWSA-N 2 0 242.363 1.389 20 0 BDADRP Nc1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)ccn1 ZINC000843364745 588104611 /nfs/dbraw/zinc/10/46/11/588104611.db2.gz OYWUWXNHJIXLTQ-UHFFFAOYSA-N 2 0 246.358 1.239 20 0 BDADRP C[N@H+](CCCCCCC[NH3+])[C@H](CN)C1CC1 ZINC000843387030 588105447 /nfs/dbraw/zinc/10/54/47/588105447.db2.gz NZFRYIPXEHAIKU-CYBMUJFWSA-N 2 0 227.396 1.565 20 0 BDADRP FCC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000843385491 588105607 /nfs/dbraw/zinc/10/56/07/588105607.db2.gz MRYVQVDWJZENFC-LLVKDONJSA-N 2 0 200.301 1.277 20 0 BDADRP C[NH2+]C[C@@H]1C[C@H](F)CN1CCCCCCC[NH3+] ZINC000843379298 588105663 /nfs/dbraw/zinc/10/56/63/588105663.db2.gz BNMPADFBEKNXFZ-STQMWFEESA-N 2 0 245.386 1.527 20 0 BDADRP [NH3+]CCCCCCNC(=O)CC1CC[NH2+]CC1 ZINC000843505240 588117171 /nfs/dbraw/zinc/11/71/71/588117171.db2.gz FJPAYJNYYCJNBA-UHFFFAOYSA-N 2 0 241.379 1.011 20 0 BDADRP C[C@@H](NC(=O)CCCC[NH+]1CCCC1)[C@H](C)[NH3+] ZINC000844197683 588173221 /nfs/dbraw/zinc/17/32/21/588173221.db2.gz OKECKJASLWCBKM-NWDGAFQWSA-N 2 0 241.379 1.104 20 0 BDADRP Cc1ncccc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000105458794 588173953 /nfs/dbraw/zinc/17/39/53/588173953.db2.gz ZYMFUGFDMZTBGU-UHFFFAOYSA-N 2 0 233.359 1.821 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000846217081 588260453 /nfs/dbraw/zinc/26/04/53/588260453.db2.gz ZEYMZRXRRBAZHZ-LBPRGKRZSA-N 2 0 213.369 1.176 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000846220831 588261119 /nfs/dbraw/zinc/26/11/19/588261119.db2.gz VOSOTKISONQKFU-BFHYXJOUSA-N 3 0 239.407 1.565 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCCCCC[NH3+] ZINC000846220604 588261251 /nfs/dbraw/zinc/26/12/51/588261251.db2.gz RLARHIFASYOUIX-VXGBXAGGSA-N 2 0 213.369 1.175 20 0 BDADRP [NH3+]CCCCCC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000846223482 588261590 /nfs/dbraw/zinc/26/15/90/588261590.db2.gz LOAFZUWNWYGPMM-UHFFFAOYSA-N 3 0 225.380 1.333 20 0 BDADRP [NH3+]CCCCCCC(=O)NCCC1(C[NH3+])CC1 ZINC000846690664 588283174 /nfs/dbraw/zinc/28/31/74/588283174.db2.gz FHCWFSGQICVQRP-UHFFFAOYSA-N 2 0 241.379 1.141 20 0 BDADRP CC(C)(O)C[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000848668756 588404492 /nfs/dbraw/zinc/40/44/92/588404492.db2.gz SMDAEOIKNCSUEG-VXGBXAGGSA-N 2 0 226.364 1.364 20 0 BDADRP Cc1ccc([C@H](O)C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000848717266 588407818 /nfs/dbraw/zinc/40/78/18/588407818.db2.gz PUTRIVXEOOFGNB-QLFBSQMISA-N 2 0 248.370 1.888 20 0 BDADRP CC1CC[NH+](CCCNC(=[NH2+])NC2CC2)CC1 ZINC000848982603 588422887 /nfs/dbraw/zinc/42/28/87/588422887.db2.gz JDELVERDXXFNKG-UHFFFAOYSA-N 2 0 238.379 1.385 20 0 BDADRP CCNC(=[NH2+])NC[C@@H](CC(C)C)[NH+](C)C ZINC000848983944 588424799 /nfs/dbraw/zinc/42/47/99/588424799.db2.gz XQTPDHPPJHZZEO-SNVBAGLBSA-N 2 0 214.357 1.097 20 0 BDADRP CC[C@H](C)NC(=[NH2+])NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000848987496 588426088 /nfs/dbraw/zinc/42/60/88/588426088.db2.gz BHJNRVFAQDPHFV-NEPJUHHUSA-N 2 0 240.395 1.631 20 0 BDADRP CCNC(=[NH2+])NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000848987175 588426145 /nfs/dbraw/zinc/42/61/45/588426145.db2.gz LIVFUOJJZPJNQD-MNOVXSKESA-N 2 0 226.368 1.241 20 0 BDADRP C[C@@H]1CCCN(C(=[NH2+])NCCCC[NH+](C)C)C1 ZINC000848989795 588426824 /nfs/dbraw/zinc/42/68/24/588426824.db2.gz BRZNKRAPBNENQY-GFCCVEGCSA-N 2 0 240.395 1.584 20 0 BDADRP [NH2+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC1CCC1 ZINC000848992626 588427792 /nfs/dbraw/zinc/42/77/92/588427792.db2.gz NSJQVHYHUCPUDE-JTQLQIEISA-N 2 0 236.363 1.137 20 0 BDADRP CC(C)(C)NC(=[NH2+])NCCC[NH2+]C(C)(C)C ZINC000848994064 588428190 /nfs/dbraw/zinc/42/81/90/588428190.db2.gz LXXNKHSWUMLOPZ-UHFFFAOYSA-N 2 0 228.384 1.677 20 0 BDADRP CCCCNC(=[NH2+])NC[C@H](C)[NH+]1CCCCC1 ZINC000848995485 588428778 /nfs/dbraw/zinc/42/87/78/588428778.db2.gz LXQFBFUMBJHMAO-LBPRGKRZSA-N 2 0 240.395 1.775 20 0 BDADRP CC[C@@H](C)NC(=[NH2+])NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000848996497 588429070 /nfs/dbraw/zinc/42/90/70/588429070.db2.gz ZDMDDJDFTLSFEP-VXGBXAGGSA-N 2 0 240.395 1.629 20 0 BDADRP CC[NH+]1CCC(CNC(=[NH2+])NC2CCC2)CC1 ZINC000848996101 588429109 /nfs/dbraw/zinc/42/91/09/588429109.db2.gz FTNAXESHXMPVLU-UHFFFAOYSA-N 2 0 238.379 1.385 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](CNC(=[NH2+])N(C)C2CC2)C1 ZINC000848996416 588429113 /nfs/dbraw/zinc/42/91/13/588429113.db2.gz RVVRBQFEIJECEF-LLVKDONJSA-N 2 0 238.379 1.335 20 0 BDADRP C[NH+](C)CCCCCCCNC(=[NH2+])N1CCC1 ZINC000848998198 588429982 /nfs/dbraw/zinc/42/99/82/588429982.db2.gz CUNLPMRBZCJPBS-UHFFFAOYSA-N 2 0 240.395 1.729 20 0 BDADRP CC[C@@H](C)NC(=[NH2+])NC[C@H](C)[N@H+](C)C1CC1 ZINC000849001605 588430938 /nfs/dbraw/zinc/43/09/38/588430938.db2.gz HRIJNOJJMROISW-ZJUUUORDSA-N 2 0 226.368 1.382 20 0 BDADRP C[C@H]1CC[N@H+](CCNC(=[NH2+])NCC2CCC2)C1 ZINC000849004216 588431763 /nfs/dbraw/zinc/43/17/63/588431763.db2.gz HXQSAAFKEMYFFB-NSHDSACASA-N 2 0 238.379 1.242 20 0 BDADRP CCCC[N@H+](C)CCNC(=[NH2+])Nc1ccccn1 ZINC000849005868 588432423 /nfs/dbraw/zinc/43/24/23/588432423.db2.gz YWNXTZDTEZJWFX-UHFFFAOYSA-N 2 0 249.362 1.750 20 0 BDADRP C[N@H+](CCNC(=[NH2+])N1CCC1)C1CCCC1 ZINC000849006318 588432953 /nfs/dbraw/zinc/43/29/53/588432953.db2.gz VYCUCFDFBLDESO-UHFFFAOYSA-N 2 0 224.352 1.091 20 0 BDADRP CCCCNC(=[NH2+])NCC1(C)CC[NH+](C)CC1 ZINC000849016576 588437152 /nfs/dbraw/zinc/43/71/52/588437152.db2.gz SPUBCNBUENOJIJ-UHFFFAOYSA-N 2 0 240.395 1.632 20 0 BDADRP CC(C)NC(=[NH2+])NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000849022983 588439405 /nfs/dbraw/zinc/43/94/05/588439405.db2.gz BMJHPHORIAZCBY-LBPRGKRZSA-N 2 0 238.379 1.526 20 0 BDADRP CCCCCCNC(=[NH2+])NC[C@H](C)C[NH+](C)C ZINC000849030362 588442171 /nfs/dbraw/zinc/44/21/71/588442171.db2.gz LNYYPOMIAAOUMI-LBPRGKRZSA-N 2 0 242.411 1.878 20 0 BDADRP CC[C@@H](C)NC(=[NH2+])NC[C@@H](C)C[NH+](C)C ZINC000849030005 588442287 /nfs/dbraw/zinc/44/22/87/588442287.db2.gz CLJOYGKJFYJLMF-NXEZZACHSA-N 2 0 214.357 1.097 20 0 BDADRP CCCCNC(=[NH2+])NCC[N@@H+]1CCCC1(C)C ZINC000849039038 588446883 /nfs/dbraw/zinc/44/68/83/588446883.db2.gz FABGPJUFEWACJR-UHFFFAOYSA-N 2 0 240.395 1.775 20 0 BDADRP CC[C@@H](C)NC(=[NH2+])NCC[C@H]1CCC[N@H+](C)C1 ZINC000849041074 588447875 /nfs/dbraw/zinc/44/78/75/588447875.db2.gz JLIWJDWEVOYIQO-VXGBXAGGSA-N 2 0 240.395 1.631 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](CNC(=[NH2+])Nc2ccccc2)C1 ZINC000849048208 588451074 /nfs/dbraw/zinc/45/10/74/588451074.db2.gz GLKMXFIYSAGGQC-BJHJDKERSA-N 2 0 246.358 1.963 20 0 BDADRP Cc1ncc(C[NH2+][C@@H](C)c2ccc[nH]2)n1C ZINC000850228605 588530710 /nfs/dbraw/zinc/53/07/10/588530710.db2.gz IBEYRUYBHFWESD-VIFPVBQESA-N 2 0 218.304 1.907 20 0 BDADRP CC[NH+](CC)[C@H]1CCN(CCCCCC[NH3+])C1 ZINC000110370696 588658769 /nfs/dbraw/zinc/65/87/69/588658769.db2.gz IILSHCUYLADQJC-AWEZNQCLSA-N 2 0 241.423 1.922 20 0 BDADRP CO[C@H](C[N@@H+]1CCC[C@H](C[NH3+])C1)C1CCC1 ZINC000852743874 588697839 /nfs/dbraw/zinc/69/78/39/588697839.db2.gz MRJRCHCWRVDIOA-DGCLKSJQSA-N 2 0 226.364 1.472 20 0 BDADRP C[N@H+](CCOC(F)F)CC(C)(C)C[NH3+] ZINC000852740630 588698721 /nfs/dbraw/zinc/69/87/21/588698721.db2.gz GVAPLJRZTWCLHK-UHFFFAOYSA-N 2 0 210.268 1.142 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCOC(F)F)C[C@@H]21 ZINC000852746630 588698971 /nfs/dbraw/zinc/69/89/71/588698971.db2.gz MUWRXALALMMDTH-KXUCPTDWSA-N 2 0 234.290 1.285 20 0 BDADRP C[C@@H]1CC[N@H+](CCOC(F)F)C[C@H]1C[NH3+] ZINC000852750916 588700000 /nfs/dbraw/zinc/70/00/00/588700000.db2.gz JAZPRVRTOJIODW-RKDXNWHRSA-N 2 0 222.279 1.142 20 0 BDADRP C([C@H]1CNCCO1)[N@@H+]1CCCC2(CCCC2)C1 ZINC000852750037 588700160 /nfs/dbraw/zinc/70/01/60/588700160.db2.gz LYEHFYWHSSJHTA-CYBMUJFWSA-N 2 0 238.375 1.631 20 0 BDADRP [NH3+]Cc1cccc(C(=O)NCC2([NH3+])CCCC2)c1 ZINC000852852037 588708411 /nfs/dbraw/zinc/70/84/11/588708411.db2.gz MSHFFPLHENFOOP-UHFFFAOYSA-N 2 0 247.342 1.147 20 0 BDADRP COc1ccncc1NC(=O)C=C1CC[NH2+]CC1 ZINC000852862596 588709361 /nfs/dbraw/zinc/70/93/61/588709361.db2.gz CQXIQOZHELBENG-UHFFFAOYSA-N 2 0 247.298 1.339 20 0 BDADRP CC1(C[NH2+][C@H]2CC[NH2+]C23CCC3)CCOCC1 ZINC000863483266 589293436 /nfs/dbraw/zinc/29/34/36/589293436.db2.gz TYSZXLHFOQIRCJ-LBPRGKRZSA-N 2 0 238.375 1.677 20 0 BDADRP COC(=O)C1=CC[C@H]([NH2+][C@H](C)CCCC[NH3+])C1 ZINC000863541416 589296897 /nfs/dbraw/zinc/29/68/97/589296897.db2.gz IHVILBQLUOPBSO-PWSUYJOCSA-N 2 0 240.347 1.355 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000863543790 589297152 /nfs/dbraw/zinc/29/71/52/589297152.db2.gz YVNHMAVLFPJCOY-HNNXBMFYSA-N 2 0 248.370 1.808 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000863543791 589297422 /nfs/dbraw/zinc/29/74/22/589297422.db2.gz YVNHMAVLFPJCOY-OAHLLOKOSA-N 2 0 248.370 1.808 20 0 BDADRP CC(C)[C@H]1CNCC[N@@H+]1CCCCCC[NH3+] ZINC000863545886 589297697 /nfs/dbraw/zinc/29/76/97/589297697.db2.gz ARKIMTZARHBDJW-CYBMUJFWSA-N 2 0 227.396 1.435 20 0 BDADRP C[C@@H](CC(C)(C)C)[NH2+]CCOCCC[NH3+] ZINC000863546302 589298080 /nfs/dbraw/zinc/29/80/80/589298080.db2.gz LGWJUTBNPYDWLU-NSHDSACASA-N 2 0 216.369 1.766 20 0 BDADRP C[C@@H]([NH3+])CN(C)CCCc1ccncc1 ZINC000863568441 589299811 /nfs/dbraw/zinc/29/98/11/589299811.db2.gz LYWJGRSUFBWYFD-LLVKDONJSA-N 2 0 207.321 1.293 20 0 BDADRP CO[C@H](CN(C)C[C@H](C)[NH3+])C1CCCCC1 ZINC000863568385 589300347 /nfs/dbraw/zinc/30/03/47/589300347.db2.gz KFZMKKKKDMRVGU-WCQYABFASA-N 2 0 228.380 1.861 20 0 BDADRP COC[C@@]1(C)C[N@H+](CCCCCC[NH3+])CCO1 ZINC000863575143 589301428 /nfs/dbraw/zinc/30/14/28/589301428.db2.gz FEPJUQUYXUSIQN-CYBMUJFWSA-N 2 0 244.379 1.243 20 0 BDADRP [NH3+]C[C@@H]1CCC[N@H+](CC2=CCCOC2)C1 ZINC000863642094 589305981 /nfs/dbraw/zinc/30/59/81/589305981.db2.gz PYPKAKDXAYDHAP-NSHDSACASA-N 2 0 210.321 1.004 20 0 BDADRP c1nn(CC2CC[NH2+]CC2)cc1C1=CC[NH2+]CC1 ZINC000863712407 589312625 /nfs/dbraw/zinc/31/26/25/589312625.db2.gz XKRFIFWGGUGZSR-UHFFFAOYSA-N 2 0 246.358 1.259 20 0 BDADRP C[C@H]1C[C@@H]1NC(=[NH2+])NCCC[NH+]1CCCCC1 ZINC000864450277 589364070 /nfs/dbraw/zinc/36/40/70/589364070.db2.gz JFDBCJFPPKBVBR-RYUDHWBXSA-N 2 0 238.379 1.385 20 0 BDADRP C[C@@H]1C[C@H]1NC(=[NH2+])NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000864450829 589364764 /nfs/dbraw/zinc/36/47/64/589364764.db2.gz CRTHIJQLJQHGGJ-IJLUTSLNSA-N 2 0 238.379 1.241 20 0 BDADRP CCC(CC)NC(=[NH2+])NCC(C)(C)[NH+](C)C ZINC000864452700 589365431 /nfs/dbraw/zinc/36/54/31/589365431.db2.gz ROQVKXLQOJCIGZ-UHFFFAOYSA-N 2 0 228.384 1.629 20 0 BDADRP CC(C)[NH+](CCNC(=[NH2+])N[C@H]1C[C@@H]1C)C(C)C ZINC000864453096 589365782 /nfs/dbraw/zinc/36/57/82/589365782.db2.gz XBVLJCKPXHBTPB-RYUDHWBXSA-N 2 0 240.395 1.628 20 0 BDADRP C[C@@H]1C[C@@H]1NC(=[NH2+])NCC[NH+]1CCC(C)CC1 ZINC000864453893 589365890 /nfs/dbraw/zinc/36/58/90/589365890.db2.gz QZCYZKVYPYVOPX-NEPJUHHUSA-N 2 0 238.379 1.241 20 0 BDADRP CCC(CC)NC(=[NH2+])NC[C@@H](C1CC1)[NH+](C)C ZINC000864454964 589366468 /nfs/dbraw/zinc/36/64/68/589366468.db2.gz AKSLTTOFJRLQQF-LBPRGKRZSA-N 2 0 240.395 1.629 20 0 BDADRP CCC(CC)NC(=[NH2+])NCC[N@H+](CC)C1CC1 ZINC000864457198 589367635 /nfs/dbraw/zinc/36/76/35/589367635.db2.gz QMOMEPUMRCMOME-UHFFFAOYSA-N 2 0 240.395 1.773 20 0 BDADRP C[C@H]1C[C@H]1NC(=[NH2+])NCC1(C)CC[NH+](C)CC1 ZINC000864463073 589369715 /nfs/dbraw/zinc/36/97/15/589369715.db2.gz RDUMCGCMQMOIDG-WDEREUQCSA-N 2 0 238.379 1.241 20 0 BDADRP C[C@@H]1C[C@H]1NC(=[NH2+])NCC[C@@H]1CCC[N@H+](C)C1 ZINC000864465771 589370896 /nfs/dbraw/zinc/37/08/96/589370896.db2.gz COJBIPKKKKRKJT-GRYCIOLGSA-N 2 0 238.379 1.241 20 0 BDADRP Cc1c[nH+]ccc1N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000866208552 589480363 /nfs/dbraw/zinc/48/03/63/589480363.db2.gz NQYLPEIVXVZUOX-TZMCWYRMSA-N 2 0 231.343 1.920 20 0 BDADRP C[N@@H+]1CC[C@H]2CN(c3cc[nH+]c(CO)c3)CC[C@@H]21 ZINC000866208965 589480597 /nfs/dbraw/zinc/48/05/97/589480597.db2.gz MCFQAXQLYLPDSV-FZMZJTMJSA-N 2 0 247.342 1.104 20 0 BDADRP C[C@](C[NH3+])([NH2+]C[C@H]1CCC(C)(C)CO1)C1CC1 ZINC000866661397 589508953 /nfs/dbraw/zinc/50/89/53/589508953.db2.gz OPOFHXXTVJGYDS-TZMCWYRMSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H]1OCC[C@H]1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000866665091 589509767 /nfs/dbraw/zinc/50/97/67/589509767.db2.gz SPAMCXRPFUWDTO-MELADBBJSA-N 2 0 238.375 1.487 20 0 BDADRP [NH3+]CCCCCCCN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000866680619 589511537 /nfs/dbraw/zinc/51/15/37/589511537.db2.gz WWUXZPITLUYGRR-BETUJISGSA-N 2 0 225.380 1.332 20 0 BDADRP CC1(C)CCNCC[N@@H+]1CCCCCCC[NH3+] ZINC000866698941 589513091 /nfs/dbraw/zinc/51/30/91/589513091.db2.gz GHDDRCDOWIBMOM-UHFFFAOYSA-N 2 0 241.423 1.970 20 0 BDADRP CC(C)(C)[C@@]1(C[NH3+])CCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000866704727 589513335 /nfs/dbraw/zinc/51/33/35/589513335.db2.gz XFGPXCBIHMDSDR-TZMCWYRMSA-N 2 0 239.407 1.293 20 0 BDADRP [NH3+]CCC[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000866704202 589513481 /nfs/dbraw/zinc/51/34/81/589513481.db2.gz RJSDDRIZNCHHFZ-ZJUUUORDSA-N 2 0 200.351 1.020 20 0 BDADRP CC1(C)C[C@@H](O)C[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000866703975 589513761 /nfs/dbraw/zinc/51/37/61/589513761.db2.gz QTFBXOCBCRLYOE-VXGBXAGGSA-N 2 0 226.364 1.079 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000866703724 589514017 /nfs/dbraw/zinc/51/40/17/589514017.db2.gz LABWXYJXPTWWAE-QWHCGFSZSA-N 2 0 240.416 1.671 20 0 BDADRP CC1(C)C[C@@H](O)C[N@H+](CCCCCCC[NH3+])C1 ZINC000866705013 589514111 /nfs/dbraw/zinc/51/41/11/589514111.db2.gz ZGYOIVNMEXWRAE-CYBMUJFWSA-N 2 0 242.407 1.988 20 0 BDADRP CC(C)(C)[C@@]1(C[NH3+])CCN(CCC[NH3+])C1 ZINC000866706771 589514343 /nfs/dbraw/zinc/51/43/43/589514343.db2.gz KFERNEJFLRGGJU-GFCCVEGCSA-N 2 0 213.369 1.032 20 0 BDADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](C[C@@H]2CCOC2)C1 ZINC000866707190 589514849 /nfs/dbraw/zinc/51/48/49/589514849.db2.gz SYZIWFPUEFUQEZ-JSGCOSHPSA-N 2 0 240.391 1.720 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)cc1 ZINC000870940228 589699230 /nfs/dbraw/zinc/69/92/30/589699230.db2.gz GZWPBZNOZKTGBT-TXEJJXNPSA-N 2 0 247.342 1.601 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)cc1 ZINC000870940502 589699650 /nfs/dbraw/zinc/69/96/50/589699650.db2.gz JSLPBNDMRHITMX-SUNKGSAMSA-N 2 0 245.326 1.211 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2C[C@H](O)C2)[C@@H]2CCC[C@@H]21 ZINC000872127266 589876927 /nfs/dbraw/zinc/87/69/27/589876927.db2.gz RXUAAMCHMLWNBN-PEDHHIEDSA-N 2 0 238.375 1.220 20 0 BDADRP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000872141815 589882212 /nfs/dbraw/zinc/88/22/12/589882212.db2.gz URENPENCVXGHOE-STQMWFEESA-N 2 0 240.391 1.909 20 0 BDADRP C[N@H+](CCC[NH3+])C[C@@H]1CC2(CCC2)CO1 ZINC000872141458 589882491 /nfs/dbraw/zinc/88/24/91/589882491.db2.gz HAMFNVZPXGDRGP-NSHDSACASA-N 2 0 212.337 1.226 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000872141798 589882539 /nfs/dbraw/zinc/88/25/39/589882539.db2.gz TYXHQJXPBWBLBX-NWDGAFQWSA-N 2 0 224.348 1.226 20 0 BDADRP Cn1nccc1CC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000872144140 589883170 /nfs/dbraw/zinc/88/31/70/589883170.db2.gz VUBSRRYUYPUFRA-UHFFFAOYSA-N 2 0 248.374 1.038 20 0 BDADRP Cc1conc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000872142639 589883632 /nfs/dbraw/zinc/88/36/32/589883632.db2.gz BUGBEBPEJZIGMG-OLZOCXBDSA-N 2 0 249.358 1.805 20 0 BDADRP CC1([NH3+])CC[NH+](C[C@H]2CC3(CCC3)CO2)CC1 ZINC000872143975 589883652 /nfs/dbraw/zinc/88/36/52/589883652.db2.gz SXNDBOBJSLOTFD-GFCCVEGCSA-N 2 0 238.375 1.759 20 0 BDADRP COCC1([N@H+](C)C[C@@H]2CC[NH2+]C2)CCC1 ZINC000872157656 589885719 /nfs/dbraw/zinc/88/57/19/589885719.db2.gz PNONJEXPZWMGDG-LLVKDONJSA-N 2 0 212.337 1.097 20 0 BDADRP CC[C@H](O)C[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000872223179 589896486 /nfs/dbraw/zinc/89/64/86/589896486.db2.gz NDMJGKAGZWUZCQ-AWEZNQCLSA-N 2 0 242.407 1.857 20 0 BDADRP CCC1(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)COC1 ZINC000872251560 589900409 /nfs/dbraw/zinc/90/04/09/589900409.db2.gz MFOGWJUTJLKVQT-GFCCVEGCSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@H](CC[NH+](C)C)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000872254227 589901319 /nfs/dbraw/zinc/90/13/19/589901319.db2.gz WXRYPDFWUCRLOA-OLZOCXBDSA-N 2 0 241.423 1.694 20 0 BDADRP C[NH+](C)CCNc1cc[nH+]cc1C1CC1 ZINC000872386773 589930010 /nfs/dbraw/zinc/93/00/10/589930010.db2.gz BIHMWKDDWDZUOP-UHFFFAOYSA-N 2 0 205.305 1.354 20 0 BDADRP CCN(CC[NH3+])Cc1cc2c(s1)CC[NH2+]C2 ZINC000873212834 589997549 /nfs/dbraw/zinc/99/75/49/589997549.db2.gz UIBITKMNAZXOMD-UHFFFAOYSA-N 2 0 239.388 1.174 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)C1 ZINC000873215851 589998155 /nfs/dbraw/zinc/99/81/55/589998155.db2.gz FVSISNOIJJLSAX-XDIHCQEQSA-N 2 0 236.359 1.269 20 0 BDADRP C[C@H]([NH2+]Cc1cnc(N)s1)C1CC[NH2+]CC1 ZINC000873220800 589999043 /nfs/dbraw/zinc/99/90/43/589999043.db2.gz UHUBVMXUBTUGOW-QMMMGPOBSA-N 2 0 240.376 1.203 20 0 BDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873220711 589999052 /nfs/dbraw/zinc/99/90/52/589999052.db2.gz SFUUPFBQBZVTCV-BZPMIXESSA-N 3 0 239.407 1.495 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)C1CC[NH2+]CC1 ZINC000873220096 589999053 /nfs/dbraw/zinc/99/90/53/589999053.db2.gz JJWYPPGYZLKSOH-CYZMBNFOSA-N 3 0 225.380 1.234 20 0 BDADRP CC(C)[C@@H](C[NH3+])C[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873221032 589999262 /nfs/dbraw/zinc/99/92/62/589999262.db2.gz XZBJKNUGBYAABC-AAEUAGOBSA-N 3 0 227.396 1.195 20 0 BDADRP C[N@@H+]1CC[C@@H]2CN(Cc3ccc(N)nc3)CC[C@H]21 ZINC000873222044 590000042 /nfs/dbraw/zinc/00/00/42/590000042.db2.gz XZYPOYGYTXUWGE-CHWSQXEVSA-N 2 0 246.358 1.190 20 0 BDADRP COCCC1([NH2+]C[C@@H]2C[C@H]2C)CC[NH2+]CC1 ZINC000873224472 590001144 /nfs/dbraw/zinc/00/11/44/590001144.db2.gz CMABJLYWNGBFHI-NEPJUHHUSA-N 2 0 226.364 1.391 20 0 BDADRP C[NH+]1CCC(NC[C@@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000873235059 590003928 /nfs/dbraw/zinc/00/39/28/590003928.db2.gz KKONQCCWWDSNMN-ZDUSSCGKSA-N 2 0 239.407 1.448 20 0 BDADRP CC1(C)CC[C@H](CN[C@@H]2CCC[C@H]2C[NH3+])[NH2+]C1 ZINC000873234446 590004410 /nfs/dbraw/zinc/00/44/10/590004410.db2.gz FEGALQJHUWAKPN-YNEHKIRRSA-N 2 0 239.407 1.482 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1F)C1C[NH2+]C1 ZINC000873239202 590005171 /nfs/dbraw/zinc/00/51/71/590005171.db2.gz PLYVRZOOKPZQHM-INTQDDNPSA-N 2 0 200.301 1.465 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)[C@H]2CCC[C@H]21 ZINC000873248483 590006470 /nfs/dbraw/zinc/00/64/70/590006470.db2.gz BJMZCZRMJCKUKG-XHJNMGKDSA-N 3 0 237.391 1.186 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccnc(F)c1 ZINC000873242354 590007074 /nfs/dbraw/zinc/00/70/74/590007074.db2.gz PJLAKDSBCHJIRQ-VXGBXAGGSA-N 2 0 237.322 1.828 20 0 BDADRP Cn1ccnc1[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000873249494 590007351 /nfs/dbraw/zinc/00/73/51/590007351.db2.gz ANMXXKVQPQVOJU-WCQGTBRESA-N 2 0 234.347 1.198 20 0 BDADRP CCCC[C@@H](COC)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873253769 590009305 /nfs/dbraw/zinc/00/93/05/590009305.db2.gz DTTBHMDDIVIUMR-TUAOUCFPSA-N 2 0 214.353 1.519 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000873254219 590009730 /nfs/dbraw/zinc/00/97/30/590009730.db2.gz NUTDJRLHINSUDI-FVCCEPFGSA-N 3 0 225.380 1.044 20 0 BDADRP CC[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccncc1 ZINC000873255012 590010370 /nfs/dbraw/zinc/01/03/70/590010370.db2.gz CVPVLHZOBHXRSE-RAIGVLPGSA-N 2 0 219.332 1.860 20 0 BDADRP Cc1cncc([C@@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)c1 ZINC000873255255 590010480 /nfs/dbraw/zinc/01/04/80/590010480.db2.gz FLLFDHFODMMLDN-NQBHXWOUSA-N 2 0 219.332 1.778 20 0 BDADRP COC[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)C1CCCC1 ZINC000873254917 590010485 /nfs/dbraw/zinc/01/04/85/590010485.db2.gz BCBGVRRPWAWDHB-RAIGVLPGSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)c2nccn21 ZINC000873255896 590010684 /nfs/dbraw/zinc/01/06/84/590010684.db2.gz KDZFXTJOGXDJIV-GWOFURMSSA-N 2 0 220.320 1.216 20 0 BDADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873256213 590010853 /nfs/dbraw/zinc/01/08/53/590010853.db2.gz MUIPFVIDHVNCOQ-XUXIUFHCSA-N 3 0 239.407 1.624 20 0 BDADRP Cc1cc([C@@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)nn1C ZINC000873255505 590010962 /nfs/dbraw/zinc/01/09/62/590010962.db2.gz GOXRVEAKIPZJNC-GMTAPVOTSA-N 2 0 222.336 1.116 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C12CCC2 ZINC000873258014 590012477 /nfs/dbraw/zinc/01/24/77/590012477.db2.gz WRFUGSVMDDKZNJ-ZDEQEGDKSA-N 2 0 238.375 1.661 20 0 BDADRP Cc1cc([C@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)n(C)n1 ZINC000873259043 590012720 /nfs/dbraw/zinc/01/27/20/590012720.db2.gz YAUMSEGTKXODIB-DCAQKATOSA-N 2 0 222.336 1.116 20 0 BDADRP CCOC[C@H](C)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873259982 590013570 /nfs/dbraw/zinc/01/35/70/590013570.db2.gz PYAGRHOUWQUMKW-RVMXOQNASA-N 2 0 226.364 1.532 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873261351 590013767 /nfs/dbraw/zinc/01/37/67/590013767.db2.gz NMYGVNCFNNSBEG-RGDJUOJXSA-N 3 0 237.391 1.234 20 0 BDADRP COCCC[C@H](C)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873263294 590014235 /nfs/dbraw/zinc/01/42/35/590014235.db2.gz HWYQTJQTIZEJMO-FQUUOJAGSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C)c1ccnn1C ZINC000873275887 590018103 /nfs/dbraw/zinc/01/81/03/590018103.db2.gz OTVXXKRQNHMTON-AEJSXWLSSA-N 2 0 210.325 1.197 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCC[C@H]1CCOC1=O ZINC000873282260 590018745 /nfs/dbraw/zinc/01/87/45/590018745.db2.gz GPRYQPFWHLBSIS-SRVKXCTJSA-N 2 0 240.347 1.047 20 0 BDADRP COCC(C)(C)CC[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000873281289 590018845 /nfs/dbraw/zinc/01/88/45/590018845.db2.gz HLCHYKHPSGHEMJ-QWRGUYRKSA-N 2 0 216.369 1.765 20 0 BDADRP Nc1cc(F)cc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000873288913 590022122 /nfs/dbraw/zinc/02/21/22/590022122.db2.gz CGGPXGNYYOJYLR-ZWNOBZJWSA-N 2 0 237.322 1.625 20 0 BDADRP Nc1cc(F)cc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000873288911 590022217 /nfs/dbraw/zinc/02/22/17/590022217.db2.gz CGGPXGNYYOJYLR-GXFFZTMASA-N 2 0 237.322 1.625 20 0 BDADRP CC(C)C[C@H](CNC1CC[NH+](C)CC1)[NH+](C)C ZINC000020201146 590085188 /nfs/dbraw/zinc/08/51/88/590085188.db2.gz CUGNDAUCDFOLOQ-CQSZACIVSA-N 2 0 241.423 1.647 20 0 BDADRP [NH3+][C@H]1CC=C(C(=O)N2CCC[C@@H]2c2ncc[nH]2)C1 ZINC000876903128 590255463 /nfs/dbraw/zinc/25/54/63/590255463.db2.gz LDNKIRFABHKWIH-WDEREUQCSA-N 2 0 246.314 1.121 20 0 BDADRP C[C@H]1CC[C@@H](NC(=O)CCCCCC[NH3+])C[NH2+]1 ZINC000877048226 590274436 /nfs/dbraw/zinc/27/44/36/590274436.db2.gz IJCAIBJKXKEQIQ-NWDGAFQWSA-N 2 0 241.379 1.152 20 0 BDADRP C[C@@H]([NH3+])CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000877103534 590284321 /nfs/dbraw/zinc/28/43/21/590284321.db2.gz WYBSHRHMRBYFFH-NEPJUHHUSA-N 2 0 241.379 1.057 20 0 BDADRP CN(CCCCCC[NH3+])C(=O)[C@]1(C)CCC[NH2+]1 ZINC000877434955 590327219 /nfs/dbraw/zinc/32/72/19/590327219.db2.gz LSGFYRWYSUXIOW-ZDUSSCGKSA-N 2 0 241.379 1.106 20 0 BDADRP CCC[NH2+][C@@H](C)C(=O)N(C)CCCCCC[NH3+] ZINC000877437943 590327713 /nfs/dbraw/zinc/32/77/13/590327713.db2.gz CTBMEJNTOCASER-LBPRGKRZSA-N 2 0 243.395 1.352 20 0 BDADRP CN(CCCCCC[NH3+])C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000877444158 590328860 /nfs/dbraw/zinc/32/88/60/590328860.db2.gz JSSPBZCBPHHFBR-LLVKDONJSA-N 2 0 243.395 1.337 20 0 BDADRP CCSCC[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000877665077 590388358 /nfs/dbraw/zinc/38/83/58/590388358.db2.gz GVILTYQNWNUYMQ-NSHDSACASA-N 2 0 246.420 1.174 20 0 BDADRP COCC(C)(C)C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000877740196 590407612 /nfs/dbraw/zinc/40/76/12/590407612.db2.gz IZNRYHIWUBCHTL-OLZOCXBDSA-N 2 0 240.391 1.685 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCC=CO3)CC[C@@H]21 ZINC000877743781 590411274 /nfs/dbraw/zinc/41/12/74/590411274.db2.gz YGSSTQGRIFIXCK-RDBSUJKOSA-N 2 0 236.359 1.705 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CCC=CO3)CC[C@@H]21 ZINC000877743777 590411322 /nfs/dbraw/zinc/41/13/22/590411322.db2.gz YGSSTQGRIFIXCK-MCIONIFRSA-N 2 0 236.359 1.705 20 0 BDADRP CC(C)[C@@H](O)CC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000878105160 590495133 /nfs/dbraw/zinc/49/51/33/590495133.db2.gz XFEWNDVNBZFSOG-STQMWFEESA-N 2 0 228.380 1.277 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](CCC(C)(C)O)CC[C@@H]21 ZINC000879573992 590812614 /nfs/dbraw/zinc/81/26/14/590812614.db2.gz VJZRZARIKPKRBS-NEPJUHHUSA-N 2 0 226.364 1.173 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](C[Si](C)(C)C)CC[C@H]21 ZINC000879573797 590813703 /nfs/dbraw/zinc/81/37/03/590813703.db2.gz RQVHPTOFXJPRHP-VXGBXAGGSA-N 2 0 226.440 1.890 20 0 BDADRP C[NH+]1CC[C@H]2CN(C[C@H]3CCC[N@H+]3C)CC[C@H]21 ZINC000879579052 590818453 /nfs/dbraw/zinc/81/84/53/590818453.db2.gz IXLFVTXVQWMIEF-BFHYXJOUSA-N 2 0 237.391 1.107 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CN1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880142970 590944669 /nfs/dbraw/zinc/94/46/69/590944669.db2.gz WYABWXQEBJVFQF-MGPQQGTHSA-N 2 0 237.391 1.249 20 0 BDADRP C(C[NH+]1CCCCCC1)N[C@@H]1CCC[NH2+]CC1 ZINC000129177393 591267004 /nfs/dbraw/zinc/26/70/04/591267004.db2.gz SLSBVNJCKTZJDB-CQSZACIVSA-N 2 0 239.407 1.594 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccccc2)CC[N@@H+]1C ZINC000129610962 591339661 /nfs/dbraw/zinc/33/96/61/591339661.db2.gz MMILFXRAWYPNRF-YUELXQCFSA-N 2 0 248.370 1.792 20 0 BDADRP [NH3+]CCCCCCC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000130341994 591459222 /nfs/dbraw/zinc/45/92/22/591459222.db2.gz BGZJYAPAHHGQPY-GFCCVEGCSA-N 2 0 241.379 1.154 20 0 BDADRP CC[N@@H+]1CC[C@H]1CNc1cc[nH+]cc1C1CC1 ZINC000882958635 591483809 /nfs/dbraw/zinc/48/38/09/591483809.db2.gz GIGMDBPEVYSDJH-LBPRGKRZSA-N 2 0 231.343 1.887 20 0 BDADRP CC[N@@H+]1CC[C@H]1CNc1cc[nH+]c(CO)c1 ZINC000882959168 591485893 /nfs/dbraw/zinc/48/58/93/591485893.db2.gz XDVDRYQXYFGPJT-LBPRGKRZSA-N 2 0 221.304 1.080 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2C[C@H](OC)C2)[C@H](C)C1 ZINC000883269666 591603722 /nfs/dbraw/zinc/60/37/22/591603722.db2.gz RSMXPCCUVOPGBK-SYQHCUMBSA-N 2 0 240.391 1.731 20 0 BDADRP CC(C)CO[C@H]1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000883422112 591657226 /nfs/dbraw/zinc/65/72/26/591657226.db2.gz FTLYBIVGFHZBPK-AVGNSLFASA-N 2 0 244.354 1.433 20 0 BDADRP C[NH2+]C[C@H]1CCCCN1CCC1CC[NH2+]CC1 ZINC000883449978 591670569 /nfs/dbraw/zinc/67/05/69/591670569.db2.gz VCVRIOXIQFJQKD-CQSZACIVSA-N 2 0 239.407 1.450 20 0 BDADRP COCc1cccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000132211062 591693005 /nfs/dbraw/zinc/69/30/05/591693005.db2.gz CEZJIJAJEMURND-OAHLLOKOSA-N 2 0 248.370 1.922 20 0 BDADRP CC(C)C[NH+]1CCC([NH2+][C@H](C)CCO)CC1 ZINC000132247927 591695809 /nfs/dbraw/zinc/69/58/09/591695809.db2.gz TUOSUCSOLQESEG-GFCCVEGCSA-N 2 0 228.380 1.467 20 0 BDADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000133809790 591861000 /nfs/dbraw/zinc/86/10/00/591861000.db2.gz SAQSZIBOWJSVDB-IJLUTSLNSA-N 2 0 243.395 1.062 20 0 BDADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000133809392 591861139 /nfs/dbraw/zinc/86/11/39/591861139.db2.gz SAQSZIBOWJSVDB-QJPTWQEYSA-N 2 0 243.395 1.062 20 0 BDADRP CC[NH2+][C@H](C)CNC(=O)C(C)(C)[C@H]([NH3+])C(C)C ZINC000884275273 591891031 /nfs/dbraw/zinc/89/10/31/591891031.db2.gz HRITVUHWKIJDQR-GHMZBOCLSA-N 2 0 243.395 1.110 20 0 BDADRP CC1(C)[C@H](NC(=O)CCCCCC[NH3+])C[C@@H]1[NH3+] ZINC000884347935 591908880 /nfs/dbraw/zinc/90/88/80/591908880.db2.gz KDPBHDRMSMSGBG-WDEREUQCSA-N 2 0 241.379 1.138 20 0 BDADRP C[N@H+](CCCCCC[NH3+])[C@H]1CCOC1 ZINC000134715307 591947421 /nfs/dbraw/zinc/94/74/21/591947421.db2.gz NWUQQNMUBZEKHW-NSHDSACASA-N 2 0 200.326 1.226 20 0 BDADRP Cc1ccncc1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000135499810 592015022 /nfs/dbraw/zinc/01/50/22/592015022.db2.gz PGKPKHKJZAVSDI-LBPRGKRZSA-N 2 0 233.359 1.949 20 0 BDADRP C[NH+](C)C1CC[NH+](C[C@@H]2C[C@]23CCOC3)CC1 ZINC000885953863 592114921 /nfs/dbraw/zinc/11/49/21/592114921.db2.gz HRLCZPHNMSLKFM-JSGCOSHPSA-N 2 0 238.375 1.439 20 0 BDADRP C(=C/C[N@@H+]1C[C@@H]2C[C@@H]2C1)\C[NH+]1C[C@@H]2C[C@@H]2C1 ZINC000886345194 592212742 /nfs/dbraw/zinc/21/27/42/592212742.db2.gz UNBVVPDDALPJSF-DFNZGJFHSA-N 2 0 218.344 1.446 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CC[C@H]2CCCO2)[C@H](C)C1 ZINC000886725866 592311372 /nfs/dbraw/zinc/31/13/72/592311372.db2.gz ZUZOTNRZXKBLBP-MGPQQGTHSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CC[C@H]2CCCO2)CC[N@@H+]1C ZINC000886727307 592312094 /nfs/dbraw/zinc/31/20/94/592312094.db2.gz SCBWFNQMDBHHAJ-RWMBFGLXSA-N 2 0 226.364 1.628 20 0 BDADRP C[NH2+]CC1CC[NH+](C[C@H]2C[C@]23CCOC3)CC1 ZINC000886828015 592351032 /nfs/dbraw/zinc/35/10/32/592351032.db2.gz VSLPOVGGUMXFTP-KGLIPLIRSA-N 2 0 238.375 1.344 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC000886832389 592353061 /nfs/dbraw/zinc/35/30/61/592353061.db2.gz HRHFIUUQCLNBDP-QNWHQSFQSA-N 2 0 224.348 1.082 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[C@]12CCOC2 ZINC000886840310 592359532 /nfs/dbraw/zinc/35/95/32/592359532.db2.gz YXUHDEXMFCUMEW-LOWDOPEQSA-N 2 0 224.348 1.273 20 0 BDADRP CCN(CCCCCC[NH3+])[C@H]1CC[NH2+]C1 ZINC000886847041 592365514 /nfs/dbraw/zinc/36/55/14/592365514.db2.gz XKOUUXJYHGMWMV-LBPRGKRZSA-N 2 0 213.369 1.189 20 0 BDADRP CCN(CCCCCCC[NH3+])[C@@H]1CC[NH2+]C1 ZINC000886848445 592365518 /nfs/dbraw/zinc/36/55/18/592365518.db2.gz CXZFNBMKAJPXIY-CYBMUJFWSA-N 2 0 227.396 1.579 20 0 BDADRP C[NH2+]CCCN1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886872176 592376553 /nfs/dbraw/zinc/37/65/53/592376553.db2.gz LNPQUSKKUGENHT-CYBMUJFWSA-N 2 0 225.380 1.062 20 0 BDADRP C[C@H](CO)C[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887134992 592449445 /nfs/dbraw/zinc/44/94/45/592449445.db2.gz UCHRZVNFXKEILA-QWHCGFSZSA-N 2 0 249.358 1.221 20 0 BDADRP C[C@@H](CO)C[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887134991 592449451 /nfs/dbraw/zinc/44/94/51/592449451.db2.gz UCHRZVNFXKEILA-OLZOCXBDSA-N 2 0 249.358 1.221 20 0 BDADRP CO[C@@H](C)C[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887134462 592449471 /nfs/dbraw/zinc/44/94/71/592449471.db2.gz KAXHYOGAJARLKV-STQMWFEESA-N 2 0 249.358 1.627 20 0 BDADRP C[N@H+](CCCF)CC[C@@H]1CCC[NH+]1C ZINC000887141341 592457464 /nfs/dbraw/zinc/45/74/64/592457464.db2.gz OZPNHCIBJPAVMV-NSHDSACASA-N 2 0 202.317 1.762 20 0 BDADRP C[NH+](C)CC(C)(C)CNC(=[NH2+])NCC1CC1 ZINC000887345985 592483883 /nfs/dbraw/zinc/48/38/83/592483883.db2.gz MGRJHVLMEUTISW-UHFFFAOYSA-N 2 0 226.368 1.098 20 0 BDADRP CC1CC[NH+](CCNC(=[NH2+])NCC(F)F)CC1 ZINC000887348708 592484717 /nfs/dbraw/zinc/48/47/17/592484717.db2.gz UFDGMCNPGKSXCR-UHFFFAOYSA-N 2 0 248.321 1.097 20 0 BDADRP [NH2+]=C(NCCC[NH+]1CCCCC1)NCC(F)F ZINC000887347434 592484784 /nfs/dbraw/zinc/48/47/84/592484784.db2.gz VHDDVWOHMIPCNY-UHFFFAOYSA-N 2 0 248.321 1.241 20 0 BDADRP CC(C)C[N@H+](C)CCCNC(=[NH2+])NCC1CC1 ZINC000887363200 592491692 /nfs/dbraw/zinc/49/16/92/592491692.db2.gz OPUMXXBQPLGUDW-UHFFFAOYSA-N 2 0 240.395 1.488 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000925702350 634378006 /nfs/dbraw/zinc/37/80/06/634378006.db2.gz OBQGQEWHOYKDAX-LBPRGKRZSA-N 3 0 225.380 1.106 20 0 BDADRP CC[C@@H](O)C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246023973 987318473 /nfs/dbraw/zinc/31/84/73/987318473.db2.gz TUOLEYNNCUDOMO-VXGBXAGGSA-N 2 0 214.353 1.208 20 0 BDADRP CCSC[C@H](C)[NH2+]C[C@H]1C[NH2+]CC[C@@H]1C ZINC001246118787 987462178 /nfs/dbraw/zinc/46/21/78/987462178.db2.gz INNGTODNGXYJDC-SDDRHHMPSA-N 2 0 230.421 1.963 20 0 BDADRP C[C@H](N)[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000925705093 634387006 /nfs/dbraw/zinc/38/70/06/634387006.db2.gz HSNVMROVTDAQES-JURCDPSOSA-N 2 0 247.386 1.792 20 0 BDADRP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000925707300 634393296 /nfs/dbraw/zinc/39/32/96/634393296.db2.gz OZMXXGYNYXGRFR-IMRBUKKESA-N 2 0 238.375 1.509 20 0 BDADRP C[C@H]([NH3+])[C@H](C)N[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925711793 634413325 /nfs/dbraw/zinc/41/33/25/634413325.db2.gz RQHLWKWHVVUSIR-NAKRPEOUSA-N 2 0 213.369 1.218 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](CCc3cccnc3)C[C@@H]2C1 ZINC000931437338 634454611 /nfs/dbraw/zinc/45/46/11/634454611.db2.gz JUYFUQZDBGLWEK-CABCVRRESA-N 2 0 245.370 1.508 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CC[C@@H]1CCCOC1 ZINC000925720776 634460314 /nfs/dbraw/zinc/46/03/14/634460314.db2.gz IYPJYGLVURNGJU-NWDGAFQWSA-N 2 0 226.364 1.533 20 0 BDADRP Cc1conc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000257736173 634486513 /nfs/dbraw/zinc/48/65/13/634486513.db2.gz YBHOJCXJLYMKAN-UHFFFAOYSA-N 2 0 235.331 1.559 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CC2CC([NH3+])C2)C1 ZINC000925730668 634558761 /nfs/dbraw/zinc/55/87/61/634558761.db2.gz PSXAHKMXWLBDQJ-MMVSWEMESA-N 3 0 225.380 1.219 20 0 BDADRP CC(C)([NH3+])CCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000925736496 634589513 /nfs/dbraw/zinc/58/95/13/634589513.db2.gz AKQHUZUARKGEIW-STQMWFEESA-N 2 0 233.359 1.848 20 0 BDADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+]CCC(C)(C)[NH3+] ZINC000925738035 634593751 /nfs/dbraw/zinc/59/37/51/634593751.db2.gz MEBFPAGWNDFXPN-NSHDSACASA-N 2 0 236.363 1.515 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000423445151 634604319 /nfs/dbraw/zinc/60/43/19/634604319.db2.gz XNYWGVQHWJXOJZ-PWSUYJOCSA-N 2 0 236.363 1.894 20 0 BDADRP CC(C)C[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000226077320 635421586 /nfs/dbraw/zinc/42/15/86/635421586.db2.gz HEOKLUSAHMNYPZ-AGIUHOORSA-N 2 0 228.380 1.501 20 0 BDADRP Cc1cc(CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)nn1C ZINC000925831215 635467861 /nfs/dbraw/zinc/46/78/61/635467861.db2.gz CZXWXCUCDWRJTO-RYUDHWBXSA-N 2 0 236.363 1.131 20 0 BDADRP C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925838735 635501871 /nfs/dbraw/zinc/50/18/71/635501871.db2.gz CQELYXAWPKEDFW-JSPOSNOBSA-N 2 0 249.402 1.391 20 0 BDADRP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)[C@H]1CCCO1 ZINC000925839863 635503807 /nfs/dbraw/zinc/50/38/07/635503807.db2.gz FCRAHJDAGJOHFG-AAVRWANBSA-N 2 0 238.375 1.676 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cnn(C)c1 ZINC000925876118 635599918 /nfs/dbraw/zinc/59/99/18/635599918.db2.gz RHIRQXPESFROLK-UMNHJUIQSA-N 2 0 222.336 1.198 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCOC2CCOCC2)C1 ZINC000925878796 635604829 /nfs/dbraw/zinc/60/48/29/635604829.db2.gz ZXGHZYILUKFIJJ-NWDGAFQWSA-N 2 0 242.363 1.042 20 0 BDADRP CC(C)[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000925882244 635609846 /nfs/dbraw/zinc/60/98/46/635609846.db2.gz JPXLFXIBOOCRHN-ZOBORPQBSA-N 2 0 240.391 1.907 20 0 BDADRP CC(C)[C@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000925882243 635610141 /nfs/dbraw/zinc/61/01/41/635610141.db2.gz JPXLFXIBOOCRHN-XJFOESAGSA-N 2 0 240.391 1.907 20 0 BDADRP CC[NH+](CC)CCCNc1cc[nH+]cc1CO ZINC000891433686 631243325 /nfs/dbraw/zinc/24/33/25/631243325.db2.gz DBPQXCWVMZEIHT-UHFFFAOYSA-N 2 0 237.347 1.140 20 0 BDADRP CC1CC(C[N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C1 ZINC000933731856 631492600 /nfs/dbraw/zinc/49/26/00/631492600.db2.gz CBQNWPRREPECJA-CLRIEMFWSA-N 2 0 222.376 1.916 20 0 BDADRP Cc1noc(C)c1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000091844835 631544201 /nfs/dbraw/zinc/54/42/01/631544201.db2.gz CMQLSMXUEXTGPC-UHFFFAOYSA-N 2 0 237.347 1.993 20 0 BDADRP CSC1(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000235087396 631941708 /nfs/dbraw/zinc/94/17/08/631941708.db2.gz ZILWMZWCUSNJNF-GHMZBOCLSA-N 2 0 228.405 1.989 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCCOCC2)CC[NH2+]1 ZINC000235367883 632028026 /nfs/dbraw/zinc/02/80/26/632028026.db2.gz LABWZZZYTRIHGJ-VXGBXAGGSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H]1C[C@H](C[N@H+](C)C[C@@H]2CCCN2C)CC[NH2+]1 ZINC000235365260 632028170 /nfs/dbraw/zinc/02/81/70/632028170.db2.gz IAVZSUDDKMXQJI-MCIONIFRSA-N 2 0 239.407 1.401 20 0 BDADRP CC(C)CNC(=[NH2+])NCC[NH+](C(C)C)C(C)C ZINC000052040839 632051625 /nfs/dbraw/zinc/05/16/25/632051625.db2.gz CBPQLDZFKDURJZ-UHFFFAOYSA-N 2 0 242.411 1.875 20 0 BDADRP CCCNC(=[NH2+])NCC[NH+]1CCCCCC1 ZINC000052043198 632053221 /nfs/dbraw/zinc/05/32/21/632053221.db2.gz MSMVPGRVQFGGRO-UHFFFAOYSA-N 2 0 226.368 1.386 20 0 BDADRP CCCNC(=[NH2+])NCC[NH+]1CCC(C)CC1 ZINC000052043178 632053790 /nfs/dbraw/zinc/05/37/90/632053790.db2.gz FKQTXUDOIVBXKB-UHFFFAOYSA-N 2 0 226.368 1.242 20 0 BDADRP CC[C@@H](NC(C[NH3+])C[NH3+])c1ccccc1 ZINC000309452824 632099065 /nfs/dbraw/zinc/09/90/65/632099065.db2.gz MXECDPZYUONEMZ-GFCCVEGCSA-N 2 0 207.321 1.013 20 0 BDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]CC(C)C)CC1 ZINC000052422280 632405241 /nfs/dbraw/zinc/40/52/41/632405241.db2.gz PCXLZSYYAWSZPB-AWEZNQCLSA-N 2 0 241.423 1.506 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CCO1 ZINC000235379243 632681648 /nfs/dbraw/zinc/68/16/48/632681648.db2.gz MUBYGEHTHXMTSC-FDYHWXHSSA-N 2 0 226.364 1.661 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000310310794 632718732 /nfs/dbraw/zinc/71/87/32/632718732.db2.gz WMEOQIKXHRHKPD-BFHYXJOUSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1ccc(O)c(C[N@@H+]2CCC[C@H](C[NH3+])C2)n1 ZINC000091996065 632776154 /nfs/dbraw/zinc/77/61/54/632776154.db2.gz MCOGEGLCRCBZBR-LLVKDONJSA-N 2 0 235.331 1.266 20 0 BDADRP Cc1nonc1[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000926665735 632792023 /nfs/dbraw/zinc/79/20/23/632792023.db2.gz LBTDQESFCBYSFE-IEBDPFPHSA-N 2 0 238.335 1.369 20 0 BDADRP Cc1nonc1[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000926665736 632792661 /nfs/dbraw/zinc/79/26/61/632792661.db2.gz LBTDQESFCBYSFE-INTQDDNPSA-N 2 0 238.335 1.369 20 0 BDADRP CC[C@@H](C[C@](C)(O)CC)[NH2+]CCC[NH+](C)C ZINC000924542084 632793405 /nfs/dbraw/zinc/79/34/05/632793405.db2.gz YWKZNKWQSURHKO-QWHCGFSZSA-N 2 0 230.396 1.857 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c2ncnn21 ZINC000926666356 632793849 /nfs/dbraw/zinc/79/38/49/632793849.db2.gz SWFLNFXPVPELKO-NNYUYHANSA-N 2 0 249.362 1.214 20 0 BDADRP CCNC(NC[C@@H](CC(C)C)[NH+](C)C)=[NH+]CC ZINC000066245037 632859764 /nfs/dbraw/zinc/85/97/64/632859764.db2.gz XAISXWBWHYMKRL-GFCCVEGCSA-N 2 0 242.411 1.538 20 0 BDADRP C[N@H+](CCC[NH+]1CCCC1)C[C@@H](O)C1CC1 ZINC000162562392 633031351 /nfs/dbraw/zinc/03/13/51/633031351.db2.gz DKFFJNFBVDZLFS-CYBMUJFWSA-N 2 0 226.364 1.175 20 0 BDADRP CCC(O)(CC)C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000165490723 633091341 /nfs/dbraw/zinc/09/13/41/633091341.db2.gz BNGLTLQQCHMYLT-UHFFFAOYSA-N 2 0 242.407 1.811 20 0 BDADRP C[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)[C@@H]1CCOC1 ZINC000166327858 633110775 /nfs/dbraw/zinc/11/07/75/633110775.db2.gz GWJRWRUZQUHSHK-IUODEOHRSA-N 2 0 248.370 1.702 20 0 BDADRP C[N@@H+]1CCC[C@H]2CN(C[C@@H]3CCC[NH2+]3)CC[C@@H]21 ZINC000167560903 633131113 /nfs/dbraw/zinc/13/11/13/633131113.db2.gz CBTMESAILZACTP-IHRRRGAJSA-N 2 0 237.391 1.155 20 0 BDADRP C[C@H]1CCC[C@@]1(O)C[NH2+]CC1CC[NH+](C)CC1 ZINC000328135568 633733704 /nfs/dbraw/zinc/73/37/04/633733704.db2.gz XYTUCGGFGCMXCL-GXTWGEPZSA-N 2 0 240.391 1.469 20 0 BDADRP C([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)[C@@H]1CCCS1 ZINC000328460458 633764729 /nfs/dbraw/zinc/76/47/29/633764729.db2.gz UHFZPZZTPVNAMU-LIBFEPKXSA-N 2 0 238.400 1.468 20 0 BDADRP C1=CC[C@H]([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000328461089 633767018 /nfs/dbraw/zinc/76/70/18/633767018.db2.gz URGKJZJTVFCLOP-VZKILSJISA-N 2 0 218.344 1.681 20 0 BDADRP C([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)[C@H]1CCSC1 ZINC000328444632 633767058 /nfs/dbraw/zinc/76/70/58/633767058.db2.gz NRGUXHYWNBZYEW-KQAFNVIJSA-N 2 0 238.400 1.326 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328546027 633772785 /nfs/dbraw/zinc/77/27/85/633772785.db2.gz NHNBUTJCHWHBFB-UJOWSUJOSA-N 2 0 249.402 1.057 20 0 BDADRP CSCCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328563316 633775656 /nfs/dbraw/zinc/77/56/56/633775656.db2.gz JCFNWSMOGMFXCD-NGDQXYMTSA-N 2 0 226.389 1.326 20 0 BDADRP CSC(C)(C)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328558065 633775817 /nfs/dbraw/zinc/77/58/17/633775817.db2.gz CEMSTVCVNVFWKX-KKJSVHSVSA-N 2 0 240.416 1.714 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]CCNc2ccccc2)C12CCC2 ZINC000925537576 633940894 /nfs/dbraw/zinc/94/08/94/633940894.db2.gz MHJUGFUDEALUNY-UONOGXRCSA-N 2 0 245.370 1.958 20 0 BDADRP CC(C)[C@@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000309982584 634026522 /nfs/dbraw/zinc/02/65/22/634026522.db2.gz IPFTVAJCJOMAAR-ZIAGYGMSSA-N 2 0 240.391 1.421 20 0 BDADRP CC[N@H+](CCN[C@@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000925560997 634038750 /nfs/dbraw/zinc/03/87/50/634038750.db2.gz YKBXFAZLBUGSIB-CYBMUJFWSA-N 2 0 237.391 1.345 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCOCC2CC2)C1 ZINC000925559664 634039543 /nfs/dbraw/zinc/03/95/43/634039543.db2.gz ZZJNPRXNNXRRML-STQMWFEESA-N 2 0 240.391 1.909 20 0 BDADRP Cc1n[nH]cc1C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925580860 634085512 /nfs/dbraw/zinc/08/55/12/634085512.db2.gz OJXOEQMRHNDLDX-VXGBXAGGSA-N 2 0 236.363 1.714 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](O)c1ccccc1 ZINC000310280928 634104438 /nfs/dbraw/zinc/10/44/38/634104438.db2.gz PMSBXGIPROLPKO-OCCSQVGLSA-N 2 0 236.359 1.827 20 0 BDADRP CCC[N@@H+]1CC[C@H](CN[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925613443 634151601 /nfs/dbraw/zinc/15/16/01/634151601.db2.gz RBVSTKSDFLMGSQ-CHWSQXEVSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H](CCO)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925614379 634156601 /nfs/dbraw/zinc/15/66/01/634156601.db2.gz XZGHVCJBXAVIFY-TZMCWYRMSA-N 2 0 236.359 1.827 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2ccccc2O)C12CCC2 ZINC000925616236 634160107 /nfs/dbraw/zinc/16/01/07/634160107.db2.gz LLCUSLYVGIRMFA-ZIAGYGMSSA-N 2 0 246.354 1.794 20 0 BDADRP OC[C@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925617196 634167846 /nfs/dbraw/zinc/16/78/46/634167846.db2.gz VUJOJSWPPTVNAQ-JHJVBQTASA-N 2 0 238.375 1.412 20 0 BDADRP C[C@@H]1[C@H]([NH+](C)C)CCN1CC[C@@H]1CCC[N@@H+]1C ZINC000931037437 634188698 /nfs/dbraw/zinc/18/86/98/634188698.db2.gz DIAWRZZVOHFLLD-HZSPNIEDSA-N 2 0 239.407 1.495 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCn3ccnc3C2)C12CCC2 ZINC000925643425 634196735 /nfs/dbraw/zinc/19/67/35/634196735.db2.gz IMRCISFMKNRCND-QJPTWQEYSA-N 2 0 246.358 1.057 20 0 BDADRP CCC[N@H+](CC)C[C@H](C)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000925676485 634265291 /nfs/dbraw/zinc/26/52/91/634265291.db2.gz MQERRNAVSQKQCI-BFHYXJOUSA-N 2 0 241.423 1.837 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925678677 634274631 /nfs/dbraw/zinc/27/46/31/634274631.db2.gz FTYOOEYEJQVQSB-JHJVBQTASA-N 2 0 242.407 1.891 20 0 BDADRP C[C@H](Cc1cnn(C)c1)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925687571 634304604 /nfs/dbraw/zinc/30/46/04/634304604.db2.gz CUPWYYZDVVGERO-WXHSDQCUSA-N 2 0 248.374 1.211 20 0 BDADRP CC(C)[C@@H]([NH3+])CN[C@H]1CC[NH2+]C12CCCC2 ZINC000925690093 634313180 /nfs/dbraw/zinc/31/31/80/634313180.db2.gz DWJZETZZDMHFDG-RYUDHWBXSA-N 2 0 225.380 1.234 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1NCC1([NH3+])CCCCC1 ZINC000925692014 634322882 /nfs/dbraw/zinc/32/28/82/634322882.db2.gz NZTUGTQEVKRXNC-NWDGAFQWSA-N 2 0 225.380 1.378 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@H](O)C2CCC2)C1 ZINC000925692238 634323274 /nfs/dbraw/zinc/32/32/74/634323274.db2.gz NQBJWZNTTDDUQO-UPJWGTAASA-N 2 0 240.391 1.643 20 0 BDADRP C[C@H](N)[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000925695352 634344748 /nfs/dbraw/zinc/34/47/48/634344748.db2.gz WAALFEVUCDRMHD-YDHLFZDLSA-N 2 0 247.386 1.664 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]C[C@@H]2CCC[C@H]2O)C12CCC2 ZINC000925696147 634352089 /nfs/dbraw/zinc/35/20/89/634352089.db2.gz YZFLTSFHUVTPPV-WHOHXGKFSA-N 2 0 224.348 1.007 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCC2(CO)CC2)C1 ZINC000925696484 634354660 /nfs/dbraw/zinc/35/46/60/634354660.db2.gz XMKYBFOTIHHPLP-RYUDHWBXSA-N 2 0 240.391 1.645 20 0 BDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCC2(CO)CC2)C1 ZINC000925696485 634356024 /nfs/dbraw/zinc/35/60/24/634356024.db2.gz XMKYBFOTIHHPLP-VXGBXAGGSA-N 2 0 240.391 1.645 20 0 BDADRP C([NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)[C@H]1CC[NH2+]C1 ZINC000925696736 634358561 /nfs/dbraw/zinc/35/85/61/634358561.db2.gz AOWPJDRJIWCSLJ-IGQOVBAYSA-N 2 0 238.375 1.391 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000925699267 634367215 /nfs/dbraw/zinc/36/72/15/634367215.db2.gz JUHMGQQUQIYGHW-QJPTWQEYSA-N 2 0 223.364 1.001 20 0 BDADRP C[C@H]([NH3+])c1ccc(CN[C@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000925699485 634367292 /nfs/dbraw/zinc/36/72/92/634367292.db2.gz PCHRRLTVCPBGKR-ZOWXZIJZSA-N 2 0 247.386 1.936 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1N[C@H]1CC[NH2+]C12CCCC2 ZINC000925699993 634367783 /nfs/dbraw/zinc/36/77/83/634367783.db2.gz MOAYREHYBMMXDF-XQQFMLRXSA-N 2 0 237.391 1.391 20 0 BDADRP c1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000094079588 635179534 /nfs/dbraw/zinc/17/95/34/635179534.db2.gz IDHKQPPDNXBEFW-CABCVRRESA-N 2 0 245.370 1.212 20 0 BDADRP CCCNc1cc(N2CCC([NH2+]C)CC2)ncn1 ZINC000258779043 635198093 /nfs/dbraw/zinc/19/80/93/635198093.db2.gz ZQKGTRQFSLQDCT-UHFFFAOYSA-N 2 0 249.362 1.487 20 0 BDADRP C[C@H]1C[C@@H](NCc2cc(N)cc[nH+]2)C[N@@H+]1C1CC1 ZINC000925771495 635208804 /nfs/dbraw/zinc/20/88/04/635208804.db2.gz MHQIZXUPNHNXNJ-GXFFZTMASA-N 2 0 246.358 1.379 20 0 BDADRP C[C@H](Cc1cnccn1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000925777499 635261727 /nfs/dbraw/zinc/26/17/27/635261727.db2.gz FBFQNJUEIONYBD-WOPDTQHZSA-N 2 0 234.347 1.267 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCC23CCOCC3)C1 ZINC000925781337 635272985 /nfs/dbraw/zinc/27/29/85/635272985.db2.gz YEZNPKUSCBDCRB-UPJWGTAASA-N 2 0 238.375 1.805 20 0 BDADRP CC1(O)CCC([NH2+][C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000925781889 635275218 /nfs/dbraw/zinc/27/52/18/635275218.db2.gz ZAIMFTCYOXUMPA-YECOWLKZSA-N 2 0 212.337 1.149 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cnc2cnccn12 ZINC000663499326 635280190 /nfs/dbraw/zinc/28/01/90/635280190.db2.gz JCQGTQWRZHWRDI-GFCCVEGCSA-N 2 0 247.346 1.192 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CCC[C@H]1CCF ZINC000925782765 635280401 /nfs/dbraw/zinc/28/04/01/635280401.db2.gz HQDNSRHTUNVIIM-WRWGMCAJSA-N 2 0 214.328 1.712 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000925801583 635346882 /nfs/dbraw/zinc/34/68/82/635346882.db2.gz BLPXMPBCCBVOKP-XQHKEYJVSA-N 2 0 248.374 1.724 20 0 BDADRP C[C@@H](Cc1cnccn1)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925803760 635352138 /nfs/dbraw/zinc/35/21/38/635352138.db2.gz UTRRHIWVEGKWGC-FRRDWIJNSA-N 2 0 248.374 1.243 20 0 BDADRP CC(C)[N@H+](C)CCNC(=[NH2+])NC1CCCCC1 ZINC000054108811 635388602 /nfs/dbraw/zinc/38/86/02/635388602.db2.gz OEZCINIYZQEZIN-UHFFFAOYSA-N 2 0 240.395 1.773 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](CCCCCCO)C[C@@H]2C1 ZINC000310510045 636248489 /nfs/dbraw/zinc/24/84/89/636248489.db2.gz LKPHZMJNXHPCSY-KGLIPLIRSA-N 2 0 240.391 1.423 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCc2cnn(C)c2)C1 ZINC000226422541 636416821 /nfs/dbraw/zinc/41/68/21/636416821.db2.gz LKLUOWMHUZADJF-WCQYABFASA-N 2 0 236.363 1.022 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC000221300566 636726047 /nfs/dbraw/zinc/72/60/47/636726047.db2.gz OGJOUGXMSHNTGO-GXTWGEPZSA-N 2 0 234.343 1.261 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCCO2)CC[N@@H+]1C ZINC000252176418 636781416 /nfs/dbraw/zinc/78/14/16/636781416.db2.gz SCBWFNQMDBHHAJ-JHJVBQTASA-N 2 0 226.364 1.628 20 0 BDADRP C[N@@H+]1C[C@@H]2C[NH+](C[C@H]3CCC=CO3)C[C@]2(C)C1 ZINC000897621569 636826593 /nfs/dbraw/zinc/82/65/93/636826593.db2.gz IWFDHTCLBVQDKU-MCIONIFRSA-N 2 0 236.359 1.563 20 0 BDADRP C[N@@H+]1CC[C@H]2CN(CCCCCC[NH3+])CC[C@@H]21 ZINC000866703041 636931890 /nfs/dbraw/zinc/93/18/90/636931890.db2.gz FBQJBXSEHSRPOW-KBPBESRZSA-N 2 0 239.407 1.532 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)C(C)(C)CO)C1 ZINC000924706591 637015783 /nfs/dbraw/zinc/01/57/83/637015783.db2.gz QEDGGYVBSQOTEG-VXGBXAGGSA-N 2 0 228.380 1.325 20 0 BDADRP C[C@H]1CCCN(C[C@H]2CCC[NH2+]2)[C@@H]1CC[NH3+] ZINC000903461645 637363104 /nfs/dbraw/zinc/36/31/04/637363104.db2.gz XEADWHYYJCAKTM-YNEHKIRRSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H]1CCO ZINC000903463435 637364858 /nfs/dbraw/zinc/36/48/58/637364858.db2.gz AZGHXYCAXUSNMU-CRWXNKLISA-N 2 0 240.391 1.597 20 0 BDADRP Cc1noc([C@@H](C)[N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)n1 ZINC000903463866 637365119 /nfs/dbraw/zinc/36/51/19/637365119.db2.gz QHBHXXUVFQGQGM-IEBDPFPHSA-N 2 0 238.335 1.498 20 0 BDADRP CCCCC[N@H+](CCO)C[C@H]1CCCC[NH2+]C1 ZINC000903725091 637378436 /nfs/dbraw/zinc/37/84/36/637378436.db2.gz WKMDSPNGTQAONI-AWEZNQCLSA-N 2 0 242.407 1.861 20 0 BDADRP CC1(C)CCC[N@@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903727090 637379703 /nfs/dbraw/zinc/37/97/03/637379703.db2.gz QCSWEWKDZCRVBF-TZMCWYRMSA-N 2 0 238.375 1.629 20 0 BDADRP C[N@H+](CC1CC1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903723019 637379805 /nfs/dbraw/zinc/37/98/05/637379805.db2.gz RYSHRWGNUOZHNC-OLZOCXBDSA-N 2 0 224.348 1.097 20 0 BDADRP C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C[C@H]1CCCC[NH2+]C1 ZINC000903786692 637381787 /nfs/dbraw/zinc/38/17/87/637381787.db2.gz PDVYRYDOCUQYRK-FQUUOJAGSA-N 2 0 239.407 1.447 20 0 BDADRP OC[C@H]1CCCCC[N@@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903788225 637382703 /nfs/dbraw/zinc/38/27/03/637382703.db2.gz GKRVETWAQGIKFM-UONOGXRCSA-N 2 0 240.391 1.613 20 0 BDADRP [NH3+]CCC[NH2+]CCc1c(F)cc(O)cc1F ZINC000904432878 637400287 /nfs/dbraw/zinc/40/02/87/637400287.db2.gz ILVVQPSHDDUOFI-UHFFFAOYSA-N 2 0 230.258 1.151 20 0 BDADRP C(CN1CC[C@@]2(C1)CCCC[NH2+]2)[C@H]1CCOC1 ZINC000904430648 637400538 /nfs/dbraw/zinc/40/05/38/637400538.db2.gz RXZZUMVZSZRWOY-UONOGXRCSA-N 2 0 238.375 1.631 20 0 BDADRP [NH3+][C@@H](CC(F)F)CN1CC[C@]2(C1)CCCC[NH2+]2 ZINC000904430969 637400859 /nfs/dbraw/zinc/40/08/59/637400859.db2.gz VDOSIKOORRRFQA-JQWIXIFHSA-N 2 0 247.333 1.187 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)N[C@H]1C[NH2+]CC1(C)C ZINC000904462570 637406520 /nfs/dbraw/zinc/40/65/20/637406520.db2.gz WKZVKRDAQGOHCZ-UTUOFQBUSA-N 2 0 225.380 1.105 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])CN[C@H]1C[NH2+]CC1(C)C ZINC000904462318 637406582 /nfs/dbraw/zinc/40/65/82/637406582.db2.gz URHHYBRDANBFOT-RYUDHWBXSA-N 2 0 241.423 1.728 20 0 BDADRP CC1(C)C[NH2+]C[C@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000904460635 637421228 /nfs/dbraw/zinc/42/12/28/637421228.db2.gz BDHWLMWFYYOTJA-WDEREUQCSA-N 2 0 212.337 1.001 20 0 BDADRP [NH3+]Cc1ccccc1NC[C@]12C[C@H]1C[NH2+]C2 ZINC000904485114 637427876 /nfs/dbraw/zinc/42/78/76/637427876.db2.gz MCHINDQCNCIWNA-WCQYABFASA-N 2 0 217.316 1.167 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000904931589 637533852 /nfs/dbraw/zinc/53/38/52/637533852.db2.gz LSFLBVWDPPMBCY-GXFFZTMASA-N 2 0 241.379 1.008 20 0 BDADRP CC(C)(C)[NH2+]Cc1cn(C2CC[NH2+]CC2)nn1 ZINC000905057260 637594506 /nfs/dbraw/zinc/59/45/06/637594506.db2.gz NXLNBFOTBMIGJO-UHFFFAOYSA-N 2 0 237.351 1.091 20 0 BDADRP C[C@@H]([NH3+])[C@H](C)c1nc(CC2CC[NH2+]CC2)no1 ZINC000905312677 637741525 /nfs/dbraw/zinc/74/15/25/637741525.db2.gz DCRJDBKBAZWUHF-DTWKUNHWSA-N 2 0 238.335 1.062 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCC3)nc2)C1 ZINC000906508027 638179959 /nfs/dbraw/zinc/17/99/59/638179959.db2.gz HSYSAIHVZDXMCQ-JOCQHMNTSA-N 2 0 246.358 1.261 20 0 BDADRP CCc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)cc1 ZINC000906507990 638180198 /nfs/dbraw/zinc/18/01/98/638180198.db2.gz GBMYFRVRCQJRRY-JOCQHMNTSA-N 2 0 204.317 1.828 20 0 BDADRP [NH3+]C1CC([NH2+]C/C=C\c2ccc(F)cc2)C1 ZINC000906509495 638181816 /nfs/dbraw/zinc/18/18/16/638181816.db2.gz GHJZVQTVBFPMEK-UPHRSURJSA-N 2 0 220.291 1.918 20 0 BDADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)NC1CC([NH3+])C1 ZINC000906509962 638183698 /nfs/dbraw/zinc/18/36/98/638183698.db2.gz GHRPOHNJCQIUEL-GMKTYKIGSA-N 2 0 225.380 1.377 20 0 BDADRP CCN(C)c1ccc(C[NH2+]C2CC([NH3+])C2)cn1 ZINC000906511464 638185363 /nfs/dbraw/zinc/18/53/63/638185363.db2.gz UWXYAXVAVXZUSY-UHFFFAOYSA-N 2 0 234.347 1.117 20 0 BDADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCN(C)C1 ZINC000906500769 638195256 /nfs/dbraw/zinc/19/52/56/638195256.db2.gz NNGJWHXGCDSOGU-WCQYABFASA-N 2 0 248.374 1.203 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)Nc1cccc(C[NH3+])c1 ZINC000911648074 639701655 /nfs/dbraw/zinc/70/16/55/639701655.db2.gz GQGABNYFJPXTMR-ZYHUDNBSSA-N 2 0 247.342 1.329 20 0 BDADRP CC(C)[NH2+]C1(CO)CC[NH+]([C@H](C)C2CC2)CC1 ZINC000930613294 639821710 /nfs/dbraw/zinc/82/17/10/639821710.db2.gz FWQPPKUHASANGM-GFCCVEGCSA-N 2 0 240.391 1.610 20 0 BDADRP CC(C)C[C@@H]([NH3+])CC(=O)N[C@](C)(C[NH3+])C(C)C ZINC000911834516 639845944 /nfs/dbraw/zinc/84/59/44/639845944.db2.gz VNJSVOVTMFIGKL-DGCLKSJQSA-N 2 0 243.395 1.240 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])C[C@@H](C)CC ZINC000911881402 639866557 /nfs/dbraw/zinc/86/65/57/639866557.db2.gz QXQKOOSLAAHFTP-TUAOUCFPSA-N 2 0 243.395 1.384 20 0 BDADRP C[N@@H+]1C[C@@]2(C)CN(CCOC(F)F)C[C@@]2(C)C1 ZINC000931317924 640154336 /nfs/dbraw/zinc/15/43/36/640154336.db2.gz QSKNFJAGXLGEQD-TXEJJXNPSA-N 2 0 248.317 1.499 20 0 BDADRP CO[C@@H]1CC[C@@H]([NH+]2CCC(C)([NH+](C)C)CC2)C1 ZINC000931354612 640167478 /nfs/dbraw/zinc/16/74/78/640167478.db2.gz KZOZXVYBMJSJJT-CHWSQXEVSA-N 2 0 240.391 1.970 20 0 BDADRP C[C@H]1OCC[C@@H]1C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931355987 640171017 /nfs/dbraw/zinc/17/10/17/640171017.db2.gz XMAWTLURBTUZGW-CHWSQXEVSA-N 2 0 240.391 1.828 20 0 BDADRP CCOCCC[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931436539 640199492 /nfs/dbraw/zinc/19/94/92/640199492.db2.gz SDKUGCYAPWROGX-QWHCGFSZSA-N 2 0 226.364 1.297 20 0 BDADRP C[C@H]1OCC[C@H]1C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931442127 640203043 /nfs/dbraw/zinc/20/30/43/640203043.db2.gz VLCFXRWZLTUUQN-ZOBORPQBSA-N 2 0 238.375 1.295 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](CC3=CCCC3)C[C@@H]2C1 ZINC000931441499 640205200 /nfs/dbraw/zinc/20/52/00/640205200.db2.gz JUANKSLXNBXHCL-KGLIPLIRSA-N 2 0 220.360 1.980 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+]([C@@H]3C=CCCC3)C[C@@H]2C1 ZINC000931440353 640206462 /nfs/dbraw/zinc/20/64/62/640206462.db2.gz WPVPKGKOUCYNEW-HZSPNIEDSA-N 2 0 220.360 1.979 20 0 BDADRP CC(C)OCCC[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931440055 640207386 /nfs/dbraw/zinc/20/73/86/640207386.db2.gz STFAFTRMTYLEQY-UONOGXRCSA-N 2 0 240.391 1.685 20 0 BDADRP Cc1nccc(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)n1 ZINC000931439755 640208612 /nfs/dbraw/zinc/20/86/12/640208612.db2.gz ZFOULWJIYBPRSB-OLZOCXBDSA-N 2 0 246.358 1.169 20 0 BDADRP CC[C@H](CO)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000931465987 640227174 /nfs/dbraw/zinc/22/71/74/640227174.db2.gz SPIKKCAQKMEGRB-CYBMUJFWSA-N 2 0 240.391 1.708 20 0 BDADRP COC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000931717842 640333890 /nfs/dbraw/zinc/33/38/90/640333890.db2.gz DSIVPFYAHXVCQS-TUAOUCFPSA-N 2 0 212.337 1.190 20 0 BDADRP CO[C@H]1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2CN(C)CC3)C1 ZINC000931719620 640337149 /nfs/dbraw/zinc/33/71/49/640337149.db2.gz WJFUOLYMRPYCEJ-RFGFWPKPSA-N 2 0 238.375 1.722 20 0 BDADRP COCC[N@H+](C)CCCNCc1ccoc1 ZINC000163790606 640418209 /nfs/dbraw/zinc/41/82/09/640418209.db2.gz UXQBTJYTDXPGTP-UHFFFAOYSA-N 2 0 226.320 1.338 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCc2cccs2)C1 ZINC000166225343 640622982 /nfs/dbraw/zinc/62/29/82/640622982.db2.gz YKBMRYUAWACJOY-GHMZBOCLSA-N 2 0 224.373 1.960 20 0 BDADRP CN1CCC[C@@H]1C[NH2+]CC1CC[NH+](C)CC1 ZINC000226018733 640722854 /nfs/dbraw/zinc/72/28/54/640722854.db2.gz NQRHBEVONKUYIM-CYBMUJFWSA-N 2 0 225.380 1.012 20 0 BDADRP C[C@@H]([NH3+])CN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000226317399 640748130 /nfs/dbraw/zinc/74/81/30/640748130.db2.gz XMJICVSSEPZGPS-NEPJUHHUSA-N 2 0 213.369 1.140 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000226345726 640749892 /nfs/dbraw/zinc/74/98/92/640749892.db2.gz IIQOERZJFYBNLD-OLZOCXBDSA-N 3 0 239.407 1.435 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000226345738 640750091 /nfs/dbraw/zinc/75/00/91/640750091.db2.gz IIQOERZJFYBNLD-STQMWFEESA-N 3 0 239.407 1.435 20 0 BDADRP C[N@@H+]1C[C@@H]2C[NH+](CC3CCOCC3)C[C@]2(C)C1 ZINC000933737206 640756167 /nfs/dbraw/zinc/75/61/67/640756167.db2.gz MGZSOZJWYHDLOO-KGLIPLIRSA-N 2 0 238.375 1.297 20 0 BDADRP C[N@@H+]1C[C@@H]2C[NH+](CCCF)C[C@]2(C)C1 ZINC000933740034 640757125 /nfs/dbraw/zinc/75/71/25/640757125.db2.gz NXBMASIDILJOJA-MNOVXSKESA-N 2 0 200.301 1.230 20 0 BDADRP C[C@H]1C[C@H]1C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933734106 640758432 /nfs/dbraw/zinc/75/84/32/640758432.db2.gz LOTAKYIYZDWTOJ-ZDEQEGDKSA-N 2 0 208.349 1.526 20 0 BDADRP CCC[C@@H](O)C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933734195 640758495 /nfs/dbraw/zinc/75/84/95/640758495.db2.gz PYASNVDQBLEHQU-YNEHKIRRSA-N 2 0 226.364 1.031 20 0 BDADRP CCCCOCC[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000227767945 640847961 /nfs/dbraw/zinc/84/79/61/640847961.db2.gz RQFPVWYABRARRT-QWHCGFSZSA-N 2 0 228.380 1.720 20 0 BDADRP Cc1cncc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)c1 ZINC000228645255 640888239 /nfs/dbraw/zinc/88/82/39/640888239.db2.gz POLAYCVQDKPPDL-GFCCVEGCSA-N 2 0 219.332 1.561 20 0 BDADRP O[C@H](C[NH2+]CCC1CCC1)C[NH+]1CCCC1 ZINC000229095452 640921661 /nfs/dbraw/zinc/92/16/61/640921661.db2.gz DTLVMCUCRWVUHF-CYBMUJFWSA-N 2 0 226.364 1.223 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CC1CCSCC1 ZINC000229216453 640934656 /nfs/dbraw/zinc/93/46/56/640934656.db2.gz SCGXFQKVRUYMPM-NEPJUHHUSA-N 2 0 228.405 1.847 20 0 BDADRP CCCNC(=[NH2+])NC[C@H](C)C[NH+]1CCCC1 ZINC000062072515 641019612 /nfs/dbraw/zinc/01/96/12/641019612.db2.gz LQLUTDDIHZIBBG-NSHDSACASA-N 2 0 226.368 1.242 20 0 BDADRP CCC[C@@](C)(O)C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000230680168 641081777 /nfs/dbraw/zinc/08/17/77/641081777.db2.gz UYNXALUOEXKCEN-VXGBXAGGSA-N 2 0 214.353 1.269 20 0 BDADRP C[C@@]1(C[NH2+]C[C@@H]2CCCO2)CCC[NH2+]C1 ZINC000062862300 641101614 /nfs/dbraw/zinc/10/16/14/641101614.db2.gz CKQGKNZSKRGYIF-NWDGAFQWSA-N 2 0 212.337 1.145 20 0 BDADRP C[N@H+](CC1CC[NH+](C)CC1)C[C@H]1CCC[NH2+]C1 ZINC000063120843 641134869 /nfs/dbraw/zinc/13/48/69/641134869.db2.gz LGBQSCAEOZCYFB-AWEZNQCLSA-N 3 0 239.407 1.260 20 0 BDADRP C(C1CC1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063197494 641145442 /nfs/dbraw/zinc/14/54/42/641145442.db2.gz CIWYPGIDUXKTKV-ZDUSSCGKSA-N 2 0 208.349 1.860 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1CC=CC[C@H]1C ZINC000934622730 641219277 /nfs/dbraw/zinc/21/92/77/641219277.db2.gz WDGOHHSDMLYQAL-HZSPNIEDSA-N 2 0 240.391 1.632 20 0 BDADRP [NH3+]C1CC[NH+](C[C@@H](O)CC2CCCC2)CC1 ZINC000232121497 641241183 /nfs/dbraw/zinc/24/11/83/641241183.db2.gz CDUVPWMSTVFOJN-ZDUSSCGKSA-N 2 0 226.364 1.351 20 0 BDADRP [NH3+]C1CC[NH+](C[C@H](O)CC2CCCC2)CC1 ZINC000232121498 641242931 /nfs/dbraw/zinc/24/29/31/641242931.db2.gz CDUVPWMSTVFOJN-CYBMUJFWSA-N 2 0 226.364 1.351 20 0 BDADRP [NH3+]C[C@H]1CCC[N@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000232148406 641249978 /nfs/dbraw/zinc/24/99/78/641249978.db2.gz JMZAMOFSPQOQHK-KGLIPLIRSA-N 2 0 240.391 1.598 20 0 BDADRP CCN1CCC([N@H+](C)CC2CC[NH2+]CC2)CC1 ZINC000042689511 641558524 /nfs/dbraw/zinc/55/85/24/641558524.db2.gz UHBXLZNTKIABCT-UHFFFAOYSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2CCCC[C@@H]2C[NH3+])CC[N@@H+]1C ZINC000157683954 641622984 /nfs/dbraw/zinc/62/29/84/641622984.db2.gz IYZYLKQCYWPRTR-AAVRWANBSA-N 2 0 239.407 1.576 20 0 BDADRP OCC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000090079517 641695052 /nfs/dbraw/zinc/69/50/52/641695052.db2.gz FRUWOLCPYSGRER-MJBXVCDLSA-N 2 0 238.375 1.364 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CCN1C[C@@H](O)CC(F)(F)F ZINC000307931428 642348401 /nfs/dbraw/zinc/34/84/01/642348401.db2.gz CAMIPFAAFRJEMA-VGMNWLOBSA-N 2 0 240.269 1.111 20 0 BDADRP C[C@H](c1ccncc1)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000257695556 642509975 /nfs/dbraw/zinc/50/99/75/642509975.db2.gz KCQAURRHXLWITB-VXGBXAGGSA-N 2 0 219.332 1.813 20 0 BDADRP Cc1cc(NCC2([NH+](C)C)CCC2)nc(N)[nH+]1 ZINC000097936505 642641163 /nfs/dbraw/zinc/64/11/63/642641163.db2.gz PGDLEXMBCHPDAD-UHFFFAOYSA-N 2 0 235.335 1.263 20 0 BDADRP COCC(C)(C)C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000261530034 642691772 /nfs/dbraw/zinc/69/17/72/642691772.db2.gz XHDPAVZLMGODKV-JTQLQIEISA-N 2 0 200.326 1.001 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+]CC2([NH3+])CC2)C1(C)C ZINC000233769660 642693964 /nfs/dbraw/zinc/69/39/64/642693964.db2.gz IIASQRCDESJCGX-ZJUUUORDSA-N 2 0 212.337 1.271 20 0 BDADRP CCCCNC(=[NH2+])NCC[NH+](CC)CC ZINC000238225045 642800024 /nfs/dbraw/zinc/80/00/24/642800024.db2.gz HMCIMPAPCOIDIT-UHFFFAOYSA-N 2 0 214.357 1.242 20 0 BDADRP C[C@@H](CC[NH+](C)C)NC(=O)CCCCCC[NH3+] ZINC000049559722 643087084 /nfs/dbraw/zinc/08/70/84/643087084.db2.gz RYZOOWSNRYFPFQ-LBPRGKRZSA-N 2 0 243.395 1.352 20 0 BDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(NC)=[NH+]C ZINC000066245829 643165332 /nfs/dbraw/zinc/16/53/32/643165332.db2.gz TYSPCZOHENPYQX-LBPRGKRZSA-N 2 0 240.395 1.436 20 0 BDADRP CN1CC[N@H+](CCCCCC[NH3+])CC1(C)C ZINC000082485462 643322069 /nfs/dbraw/zinc/32/20/69/643322069.db2.gz ZMAKZPQXXNFUAI-UHFFFAOYSA-N 2 0 227.396 1.532 20 0 BDADRP COC[C@@H]1CC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000081051442 643492208 /nfs/dbraw/zinc/49/22/08/643492208.db2.gz SBPJLSLOSYTOPE-LLVKDONJSA-N 2 0 212.337 1.097 20 0 BDADRP CCCCC[C@@H](C)[NH2+]CCN1CC[NH2+]CC1 ZINC000042573920 643509480 /nfs/dbraw/zinc/50/94/80/643509480.db2.gz MTPARFPOFWDIFP-CYBMUJFWSA-N 2 0 227.396 1.450 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC000082931362 643528047 /nfs/dbraw/zinc/52/80/47/643528047.db2.gz YNKMNRSUOCNGMY-LLVKDONJSA-N 2 0 205.305 1.252 20 0 BDADRP CC[NH+]1CCN([C@H](C)C[NH2+]C2CCCC2)CC1 ZINC000049938016 643560162 /nfs/dbraw/zinc/56/01/62/643560162.db2.gz JCANUUVLUQLYKQ-CYBMUJFWSA-N 2 0 239.407 1.545 20 0 BDADRP C[C@H](C[NH2+]Cc1cc[nH]c(=O)c1)C[NH+]1CCCC1 ZINC000921551281 643602908 /nfs/dbraw/zinc/60/29/08/643602908.db2.gz BYXVBVKTQJRXDS-GFCCVEGCSA-N 2 0 249.358 1.609 20 0 BDADRP CC[NH+](CC)CCN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000084217620 643651063 /nfs/dbraw/zinc/65/10/63/643651063.db2.gz VUWIGCXFXCXDNR-VXGBXAGGSA-N 2 0 213.369 1.045 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1NCc1cc[nH]n1 ZINC000084216420 643651998 /nfs/dbraw/zinc/65/19/98/643651998.db2.gz QPSGCSLYFZEQBZ-KOLCDFICSA-N 2 0 208.309 1.017 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000085014646 643678689 /nfs/dbraw/zinc/67/86/89/643678689.db2.gz NTBNJGMSUQPWMZ-GRYCIOLGSA-N 2 0 212.337 1.225 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000922819516 644108908 /nfs/dbraw/zinc/10/89/08/644108908.db2.gz XXYNZIAHLGYDSN-OLZOCXBDSA-N 2 0 242.407 2.000 20 0 BDADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2ncc[nH]2)CC1 ZINC000922848796 644119924 /nfs/dbraw/zinc/11/99/24/644119924.db2.gz XVQCPSHRDDAJLO-UHFFFAOYSA-N 2 0 248.374 1.906 20 0 BDADRP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]CC1CCOCC1 ZINC000086496297 644142851 /nfs/dbraw/zinc/14/28/51/644142851.db2.gz CDYKPXAUMQJUTE-AAEUAGOBSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H](O)C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000086500941 644144711 /nfs/dbraw/zinc/14/47/11/644144711.db2.gz XOSLWBJEDOSSKX-UTUOFQBUSA-N 2 0 214.353 1.268 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C2CCC([NH3+])CC2)CS1 ZINC000086935812 644297810 /nfs/dbraw/zinc/29/78/10/644297810.db2.gz RBKOONRLPRYWDM-AGVGLQIMSA-N 2 0 214.378 1.740 20 0 BDADRP C[N@@H+](Cc1cccc(=O)[nH]1)CC1CC[NH2+]CC1 ZINC000923274777 644309814 /nfs/dbraw/zinc/30/98/14/644309814.db2.gz XSVNPOPDFCWBAJ-UHFFFAOYSA-N 2 0 235.331 1.219 20 0 BDADRP CC(C)CC[C@H](O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000923284521 644310089 /nfs/dbraw/zinc/31/00/89/644310089.db2.gz OPLUAXUKWZYBJC-JSGCOSHPSA-N 2 0 242.407 1.843 20 0 BDADRP C[N@H+](CCC[NH3+])C[C@H](O)c1ccc(F)cc1 ZINC000923290346 644323976 /nfs/dbraw/zinc/32/39/76/644323976.db2.gz HWFBUODPMKEGIJ-LBPRGKRZSA-N 2 0 226.295 1.140 20 0 BDADRP C[C@H](C[NH3+])N(C)C[C@@H](O)CCc1ccccc1 ZINC000923292494 644329878 /nfs/dbraw/zinc/32/98/78/644329878.db2.gz YPFUPNAZEXKBTL-OCCSQVGLSA-N 2 0 236.359 1.259 20 0 BDADRP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@@H](O)CC(F)(F)F ZINC000923295405 644333399 /nfs/dbraw/zinc/33/33/99/644333399.db2.gz ABJHZULQALOIDT-DTWKUNHWSA-N 2 0 242.285 1.263 20 0 BDADRP CC(C)[C@@](C)(C[NH3+])NCCC[NH2+]C1CC1 ZINC000923296304 644335579 /nfs/dbraw/zinc/33/55/79/644335579.db2.gz QKDMXMHSWSMBQR-GFCCVEGCSA-N 2 0 213.369 1.092 20 0 BDADRP CC(C)[C@@H]([NH3+])CCN(C)CCC[NH2+]C1CC1 ZINC000923297019 644335691 /nfs/dbraw/zinc/33/56/91/644335691.db2.gz MRIYPFVRLIXLLI-ZDUSSCGKSA-N 3 0 227.396 1.434 20 0 BDADRP C[C@@H]1CCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923298412 644338192 /nfs/dbraw/zinc/33/81/92/644338192.db2.gz BSVPJNKUONQCGZ-NEPJUHHUSA-N 2 0 224.348 1.097 20 0 BDADRP CCC(CC)C[N@H+](CC)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923307012 644338426 /nfs/dbraw/zinc/33/84/26/644338426.db2.gz PNJGPOTWXWZYMX-AVGNSLFASA-N 2 0 228.380 1.595 20 0 BDADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCC3(C2)CCCCC3)C1 ZINC000923314135 644340818 /nfs/dbraw/zinc/34/08/18/644340818.db2.gz QJPLMYNYYYKUQJ-AVGNSLFASA-N 2 0 238.375 1.493 20 0 BDADRP CC[C@H](C)C[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923312285 644341275 /nfs/dbraw/zinc/34/12/75/644341275.db2.gz DCGHZNKEAQFFPT-NWDGAFQWSA-N 2 0 226.364 1.343 20 0 BDADRP CC(C)CC[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923303756 644341838 /nfs/dbraw/zinc/34/18/38/644341838.db2.gz KFLBIKMJFTVGCA-GFCCVEGCSA-N 2 0 226.364 1.343 20 0 BDADRP CC(C)[C@H]1CCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923304227 644342179 /nfs/dbraw/zinc/34/21/79/644342179.db2.gz PMRPFURAGVPUGJ-QWHCGFSZSA-N 2 0 238.375 1.485 20 0 BDADRP CC(C)[C@@H]1CC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923317571 644345015 /nfs/dbraw/zinc/34/50/15/644345015.db2.gz FJIZZLZORHRRQN-CHWSQXEVSA-N 2 0 238.375 1.343 20 0 BDADRP C[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)CC(C)(C)C ZINC000923309760 644346333 /nfs/dbraw/zinc/34/63/33/644346333.db2.gz OEMYANXSWQPRPL-LLVKDONJSA-N 2 0 226.364 1.343 20 0 BDADRP CC(C)CC[C@@H](O)C[NH2+]CC1([NH3+])CCC1 ZINC000923330512 644349634 /nfs/dbraw/zinc/34/96/34/644349634.db2.gz GUYGAZGBAUTOEG-LLVKDONJSA-N 2 0 214.353 1.255 20 0 BDADRP c1cnn(C[C@@H]2CCC[N@H+]2CCC[NH2+]C2CC2)c1 ZINC000923322486 644353096 /nfs/dbraw/zinc/35/30/96/644353096.db2.gz LUJWADDRNCYCAU-AWEZNQCLSA-N 2 0 248.374 1.490 20 0 BDADRP CCc1onc(C)c1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000923333067 644354903 /nfs/dbraw/zinc/35/49/03/644354903.db2.gz SYMVVUNUPYKEFP-ONGXEEELSA-N 2 0 237.347 1.715 20 0 BDADRP CC(C)CC[C@@H](O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000923345148 644365303 /nfs/dbraw/zinc/36/53/03/644365303.db2.gz IXSGYMGLAIGSEC-GFCCVEGCSA-N 2 0 228.380 1.597 20 0 BDADRP C[C@@H](NC(C[NH3+])C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000923351873 644370658 /nfs/dbraw/zinc/37/06/58/644370658.db2.gz PGVOPEOLBUZGKA-LLVKDONJSA-N 2 0 249.402 1.921 20 0 BDADRP [NH3+]CC[C@H]1CCCCN1CCC[NH2+]C1CC1 ZINC000923354707 644372033 /nfs/dbraw/zinc/37/20/33/644372033.db2.gz UZRDZTNKKHZOBE-CYBMUJFWSA-N 2 0 225.380 1.332 20 0 BDADRP CC(C)CC[C@H](O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000923356776 644375875 /nfs/dbraw/zinc/37/58/75/644375875.db2.gz ULHGJWLONJUHDK-QWHCGFSZSA-N 2 0 228.380 1.454 20 0 BDADRP C[C@H]1[C@@H]([NH3+])CCN1C[C@H](O)CCc1ccccc1 ZINC000923367878 644378198 /nfs/dbraw/zinc/37/81/98/644378198.db2.gz KKCSFTIIIZXDDW-CFVMTHIKSA-N 2 0 248.370 1.402 20 0 BDADRP CC(C)CC[C@@H](O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000923368343 644380227 /nfs/dbraw/zinc/38/02/27/644380227.db2.gz AWJKUZHNOYPQIG-CHWSQXEVSA-N 2 0 242.407 1.761 20 0 BDADRP Cc1cc(C)cc(C[N@@H+](C)[C@H]2C[C@H]([NH3+])C[C@@H]2O)c1 ZINC000923374754 644390172 /nfs/dbraw/zinc/39/01/72/644390172.db2.gz ZIMJEQZDBAJLLO-KKUMJFAQSA-N 2 0 248.370 1.586 20 0 BDADRP CC(C)OCC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000923381565 644394676 /nfs/dbraw/zinc/39/46/76/644394676.db2.gz JNWPBUHXGFSQMA-JHJVBQTASA-N 2 0 244.379 1.022 20 0 BDADRP C[C@@H](CO)C1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000923388528 644401376 /nfs/dbraw/zinc/40/13/76/644401376.db2.gz ROVDUJQXPTYZOQ-LBPRGKRZSA-N 2 0 240.391 1.469 20 0 BDADRP CCC(CC)CCC[N@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923394537 644402073 /nfs/dbraw/zinc/40/20/73/644402073.db2.gz CWXFSBVUPBQRKD-IHRRRGAJSA-N 2 0 242.407 1.985 20 0 BDADRP CC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923394574 644403159 /nfs/dbraw/zinc/40/31/59/644403159.db2.gz DWQIIJUZTNPPMT-OBRSCCDWSA-N 2 0 224.348 1.100 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CN1C[C@H](O)CCc1ccccc1 ZINC000923411201 644411767 /nfs/dbraw/zinc/41/17/67/644411767.db2.gz ACUREGUPRYYZJU-VHDGCEQUSA-N 2 0 248.370 1.402 20 0 BDADRP C[C@@H]1CC[C@H](C[NH3+])N(CCC[NH2+]C2CC2)[C@@H]1C ZINC000923424891 644420229 /nfs/dbraw/zinc/42/02/29/644420229.db2.gz UNZJDRARBCPWMC-YRGRVCCFSA-N 2 0 239.407 1.576 20 0 BDADRP [NH3+]CCCCCCCN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923456962 644438082 /nfs/dbraw/zinc/43/80/82/644438082.db2.gz STPOHDDLOZDHFS-UONOGXRCSA-N 2 0 239.407 1.579 20 0 BDADRP [NH3+]CCCCCCN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923454060 644441465 /nfs/dbraw/zinc/44/14/65/644441465.db2.gz DYCFENIDFDHWRV-QWHCGFSZSA-N 2 0 225.380 1.189 20 0 BDADRP Cc1ccc(CCN2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000923461783 644445254 /nfs/dbraw/zinc/44/52/54/644445254.db2.gz VUEBEOZGNCSVAU-UHFFFAOYSA-N 2 0 247.386 1.032 20 0 BDADRP Cc1noc([C@@H](C)[N@@H+]2CC[C@H](CC[NH3+])C2)n1 ZINC000923486471 644455881 /nfs/dbraw/zinc/45/58/81/644455881.db2.gz QTMJMZRKKQWFCW-SCZZXKLOSA-N 2 0 224.308 1.110 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000923478514 644456292 /nfs/dbraw/zinc/45/62/92/644456292.db2.gz DCDPDLPWIOTFBN-CHWSQXEVSA-N 2 0 238.375 1.616 20 0 BDADRP [NH3+]C1CCN(CC[NH2+]C2CCCCC2)CC1 ZINC000086206397 644458001 /nfs/dbraw/zinc/45/80/01/644458001.db2.gz PYBRRYPCPPVMRK-UHFFFAOYSA-N 2 0 225.380 1.332 20 0 BDADRP Cc1ccc(C[N@@H+]2CC[C@H](CC[NH3+])C2)c(C)n1 ZINC000923480916 644459724 /nfs/dbraw/zinc/45/97/24/644459724.db2.gz MUOLZDOPGDFNOI-ZDUSSCGKSA-N 2 0 233.359 1.869 20 0 BDADRP CN(CCC[NH2+]C1CC1)C[C@H]1CCC[N@@H+]1C ZINC000086188410 644459696 /nfs/dbraw/zinc/45/96/96/644459696.db2.gz PURIFGFJZPPQEL-CYBMUJFWSA-N 2 0 225.380 1.155 20 0 BDADRP C[C@@H]1C[N@H+](C/C=C/Cl)CC[C@H]1C[NH3+] ZINC000923495428 644461219 /nfs/dbraw/zinc/46/12/19/644461219.db2.gz VKROSHKGTMTVDJ-WMSLEYKJSA-N 2 0 202.729 1.656 20 0 BDADRP CCOC(=O)[C@H](CC)[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923496343 644462129 /nfs/dbraw/zinc/46/21/29/644462129.db2.gz HMVDQEBVHKXWBM-SRVKXCTJSA-N 2 0 242.363 1.245 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923495765 644462955 /nfs/dbraw/zinc/46/29/55/644462955.db2.gz XQCAEYHWVOUPAA-KBPBESRZSA-N 2 0 241.423 1.635 20 0 BDADRP C[C@H]1C[N@H+](Cc2cccnc2N)CC[C@@H]1C[NH3+] ZINC000923490354 644464676 /nfs/dbraw/zinc/46/46/76/644464676.db2.gz NBEPUUYZXWYCRR-WDEREUQCSA-N 2 0 234.347 1.081 20 0 BDADRP C[C@H]1C[N@H+](Cc2cccnc2N)CC[C@H]1C[NH3+] ZINC000923490353 644464707 /nfs/dbraw/zinc/46/47/07/644464707.db2.gz NBEPUUYZXWYCRR-QWRGUYRKSA-N 2 0 234.347 1.081 20 0 BDADRP CC(C)CC[C@H](O)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923491477 644468250 /nfs/dbraw/zinc/46/82/50/644468250.db2.gz IDGVBIWFGGRMNQ-MJBXVCDLSA-N 2 0 242.407 1.700 20 0 BDADRP COc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cn1 ZINC000923492129 644468279 /nfs/dbraw/zinc/46/82/79/644468279.db2.gz WFECFTXNQIEJHZ-AAEUAGOBSA-N 2 0 249.358 1.507 20 0 BDADRP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cn1 ZINC000923494118 644471012 /nfs/dbraw/zinc/47/10/12/644471012.db2.gz KNMUQTVMMRAPSV-FZMZJTMJSA-N 2 0 233.359 1.807 20 0 BDADRP Cc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)on1 ZINC000923499554 644471807 /nfs/dbraw/zinc/47/18/07/644471807.db2.gz SNCJDJOIQJKOHV-ONGXEEELSA-N 2 0 223.320 1.400 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1C[NH3+] ZINC000923499463 644474201 /nfs/dbraw/zinc/47/42/01/644474201.db2.gz KZHAQRZULDTPCC-VXGBXAGGSA-N 2 0 219.332 1.498 20 0 BDADRP O[C@H](C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000923515582 644479807 /nfs/dbraw/zinc/47/98/07/644479807.db2.gz HREQYDVBBNWBFH-RRFJBIMHSA-N 2 0 246.354 1.261 20 0 BDADRP C1=CCC(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000923516168 644481036 /nfs/dbraw/zinc/48/10/36/644481036.db2.gz TVDBYNMDHHXELB-QWHCGFSZSA-N 2 0 206.333 1.494 20 0 BDADRP c1cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)ccn1 ZINC000923521239 644482358 /nfs/dbraw/zinc/48/23/58/644482358.db2.gz KPFZPGSHPAWRQI-QWHCGFSZSA-N 2 0 217.316 1.123 20 0 BDADRP CCSCC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923520436 644483095 /nfs/dbraw/zinc/48/30/95/644483095.db2.gz YZWUWQSHNYJMDC-WDEREUQCSA-N 2 0 214.378 1.281 20 0 BDADRP C[N@@H+](Cc1cccc(=O)[nH]1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000923553533 644494132 /nfs/dbraw/zinc/49/41/32/644494132.db2.gz KATSCSFBALAUAY-MNOVXSKESA-N 2 0 235.331 1.346 20 0 BDADRP [NH3+]CCCN1C[C@@H](CC[NH3+])Cc2ccccc21 ZINC000923543558 644495644 /nfs/dbraw/zinc/49/56/44/644495644.db2.gz MJRWJKVIBDLATN-LBPRGKRZSA-N 2 0 233.359 1.363 20 0 BDADRP CC(C)C[C@@H]1C[N@H+](C)CCN1C[C@H]1CCC[NH2+]1 ZINC000923554715 644498646 /nfs/dbraw/zinc/49/86/46/644498646.db2.gz OLMKIYZZYSDUMB-ZIAGYGMSSA-N 2 0 239.407 1.401 20 0 BDADRP CC[C@@H]1CO[C@H](C)C[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000251752009 644819975 /nfs/dbraw/zinc/81/99/75/644819975.db2.gz LKIVFLXEFCMGGZ-JHJVBQTASA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H]1OCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000252739636 644897113 /nfs/dbraw/zinc/89/71/13/644897113.db2.gz FYQIRSCWRDWBLW-JVGWCMFKSA-N 2 0 224.348 1.379 20 0 BDADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000304656444 644923357 /nfs/dbraw/zinc/92/33/57/644923357.db2.gz ZDQCQZSIEMXVKZ-FRRDWIJNSA-N 2 0 226.364 1.343 20 0 BDADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)(C)CO ZINC000926542238 645265663 /nfs/dbraw/zinc/26/56/63/645265663.db2.gz QRUTWAHLUXYWSP-ODWCKFRGSA-N 2 0 240.391 1.608 20 0 BDADRP C[C@H]1C[C@H](C[NH2+]CCCCCC[NH3+])CC[NH2+]1 ZINC000843129108 645266366 /nfs/dbraw/zinc/26/63/66/645266366.db2.gz MICAYBGXKFGJJG-QWHCGFSZSA-N 3 0 227.396 1.483 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2)CC[NH2+]1 ZINC000843129430 645266978 /nfs/dbraw/zinc/26/69/78/645266978.db2.gz UADQNHGSKWTZIM-RISCZKNCSA-N 3 0 233.359 1.375 20 0 BDADRP C[NH2+]CC(=O)Nc1ccc(C[NH+](C)C)c(F)c1 ZINC000844187237 645316588 /nfs/dbraw/zinc/31/65/88/645316588.db2.gz DDZPOXBLZFOOIB-UHFFFAOYSA-N 2 0 239.294 1.045 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ncco1 ZINC000926665362 645344160 /nfs/dbraw/zinc/34/41/60/645344160.db2.gz DFYWDAPPLYFNNN-GARJFASQSA-N 2 0 223.320 1.665 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CN3C[C@@H]2CCC3)C1 ZINC000926665694 645344539 /nfs/dbraw/zinc/34/45/39/645344539.db2.gz KJDBJNBFGDOCKS-FQUUOJAGSA-N 2 0 237.391 1.010 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@H]1CC1(F)F ZINC000926738555 645395217 /nfs/dbraw/zinc/39/52/17/645395217.db2.gz ULEQUGXJYXZFMD-PSIUFMSWSA-N 2 0 244.329 1.962 20 0 BDADRP C[C@@H]1CCC[N@H+](CCOC(F)F)[C@H]1CC[NH3+] ZINC000852753653 645488992 /nfs/dbraw/zinc/48/89/92/645488992.db2.gz PXGDLKNLCYGIPX-ZJUUUORDSA-N 2 0 236.306 1.675 20 0 BDADRP [NH3+]C[C@@H]1CC[N@H+](CCc2cccs2)C1 ZINC000011891334 645652788 /nfs/dbraw/zinc/65/27/88/645652788.db2.gz ZEJNQGBUYVNVBS-JTQLQIEISA-N 2 0 210.346 1.571 20 0 BDADRP CC[N@@H+]1CCC[C@H](N[C@H]2CC[NH2+]C2(C)C)C1 ZINC000925494106 645730081 /nfs/dbraw/zinc/73/00/81/645730081.db2.gz NJDVRGXIMUDFOB-RYUDHWBXSA-N 2 0 225.380 1.201 20 0 BDADRP CC(C)C[C@H](O)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000122598016 645744071 /nfs/dbraw/zinc/74/40/71/645744071.db2.gz MFDUYTCGKJSEIU-AWEZNQCLSA-N 2 0 242.407 1.856 20 0 BDADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2C=CCC2)CC1 ZINC000877625394 645802431 /nfs/dbraw/zinc/80/24/31/645802431.db2.gz XZRAUILJBGBHQT-GFCCVEGCSA-N 2 0 238.375 1.530 20 0 BDADRP FCc1ccccc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000929311267 646074169 /nfs/dbraw/zinc/07/41/69/646074169.db2.gz BKPFEYNIDCWYFQ-KBPBESRZSA-N 2 0 234.318 1.807 20 0 BDADRP COCC[N@H+](C)CCC[NH2+]C1[C@@H](C)CC[C@@H]1C ZINC000924652529 646085810 /nfs/dbraw/zinc/08/58/10/646085810.db2.gz AXLIOFXKLKJWSS-STQMWFEESA-N 2 0 242.407 1.979 20 0 BDADRP C[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccnnc1 ZINC000924648597 646085879 /nfs/dbraw/zinc/08/58/79/646085879.db2.gz MFVAUZWVLVHGHH-RYUDHWBXSA-N 2 0 246.358 1.612 20 0 BDADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)C(C)(C)CO)C1 ZINC000924755828 646102599 /nfs/dbraw/zinc/10/25/99/646102599.db2.gz XKCSKRVWFZTUCZ-OLZOCXBDSA-N 2 0 242.407 1.715 20 0 BDADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ncco1 ZINC000924962708 646143843 /nfs/dbraw/zinc/14/38/43/646143843.db2.gz FZEOPGWFXUPGGW-SNVBAGLBSA-N 2 0 223.320 1.667 20 0 BDADRP CC[C@@H](CO)[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000929750236 646282453 /nfs/dbraw/zinc/28/24/53/646282453.db2.gz SXVPIRORITUQIQ-STQMWFEESA-N 2 0 228.380 1.421 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCSC1 ZINC000925483044 646295637 /nfs/dbraw/zinc/29/56/37/646295637.db2.gz ZVJAXVHMKYDLIG-PSIUFMSWSA-N 2 0 226.389 1.422 20 0 BDADRP CN1CC[C@H]([NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925486253 646297639 /nfs/dbraw/zinc/29/76/39/646297639.db2.gz GKSBYOUORKPXKW-WOPDTQHZSA-N 2 0 225.380 1.186 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925497697 646302021 /nfs/dbraw/zinc/30/20/21/646302021.db2.gz YSJGANCMXLMEFN-GFCCVEGCSA-N 3 0 225.380 1.058 20 0 BDADRP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925511185 646309135 /nfs/dbraw/zinc/30/91/35/646309135.db2.gz IGRAQTHYBAQFQN-SDDRHHMPSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@@H]([NH3+])[C@@H](NC1CC[NH+](C)CC1)c1ccccc1 ZINC000925511509 646311113 /nfs/dbraw/zinc/31/11/13/646311113.db2.gz ODTZKYSYQKLJRY-IUODEOHRSA-N 2 0 247.386 1.759 20 0 BDADRP CO[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)C(C)(C)C ZINC000925525931 646316700 /nfs/dbraw/zinc/31/67/00/646316700.db2.gz GIMULOBUXAJPQA-QJPTWQEYSA-N 2 0 240.391 1.907 20 0 BDADRP CSC(C)(C)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925526886 646318076 /nfs/dbraw/zinc/31/80/76/646318076.db2.gz KZJSPCWMNSBXCF-SECBINFHSA-N 2 0 216.394 1.858 20 0 BDADRP CC(C)C[C@H](CN[C@@H]1CC[NH2+]C1(C)C)[NH+](C)C ZINC000925536661 646322983 /nfs/dbraw/zinc/32/29/83/646322983.db2.gz QELCTIKDUMYTPB-CHWSQXEVSA-N 2 0 241.423 1.693 20 0 BDADRP C[C@@H]1CCC[N@H+](CCN[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925548491 646326424 /nfs/dbraw/zinc/32/64/24/646326424.db2.gz CITWUOKPZTVIDN-CHWSQXEVSA-N 2 0 239.407 1.448 20 0 BDADRP [NH3+]CCC[C@H]([NH2+]Cc1cc[nH]n1)c1ccccc1 ZINC000925551854 646328308 /nfs/dbraw/zinc/32/83/08/646328308.db2.gz ZNNSWBPDUUMVBY-AWEZNQCLSA-N 2 0 244.342 1.980 20 0 BDADRP CC[N@H+](CCN[C@@H]1CCC[NH2+][C@@H]1C)C(C)C ZINC000925556472 646332086 /nfs/dbraw/zinc/33/20/86/646332086.db2.gz JNQDMHHEOOIOPJ-CHWSQXEVSA-N 2 0 227.396 1.447 20 0 BDADRP CC[N@H+](CCN[C@@H]1CC[NH2+]C1(C)C)C1CC1 ZINC000925554989 646332121 /nfs/dbraw/zinc/33/21/21/646332121.db2.gz CLPCCPKWLVPCTR-GFCCVEGCSA-N 2 0 225.380 1.201 20 0 BDADRP CC[N@H+](CCN[C@H]1C[C@H]([NH3+])C12CCC2)C(C)C ZINC000925557254 646333871 /nfs/dbraw/zinc/33/38/71/646333871.db2.gz NCCDDPKJHUSWNB-STQMWFEESA-N 2 0 239.407 1.576 20 0 BDADRP CC[N@H+](CCN[C@H]1CC[NH2+]C12CCC2)C(C)C ZINC000925556832 646333738 /nfs/dbraw/zinc/33/37/38/646333738.db2.gz LMABPMRJVYFRRR-ZDUSSCGKSA-N 2 0 239.407 1.591 20 0 BDADRP C[N@@H+]1CCC[C@@H](CN[C@H]2CC[NH2+]C2(C)C)C1 ZINC000925558578 646334041 /nfs/dbraw/zinc/33/40/41/646334041.db2.gz TVGDOLWSIMNKSX-RYUDHWBXSA-N 2 0 225.380 1.058 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000925563114 646335049 /nfs/dbraw/zinc/33/50/49/646335049.db2.gz RMZCQNBRZZBIHG-UPJWGTAASA-N 2 0 237.391 1.343 20 0 BDADRP COCCOCC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925565573 646337320 /nfs/dbraw/zinc/33/73/20/646337320.db2.gz UQQFSEZBQVEKOS-NEPJUHHUSA-N 2 0 244.379 1.145 20 0 BDADRP CC1(C)C[C@@H]([NH2+][C@H]2CCSC2)C[C@@H]([NH3+])C1 ZINC000925575265 646342593 /nfs/dbraw/zinc/34/25/93/646342593.db2.gz YYIJJYKZSHDIOF-VWYCJHECSA-N 2 0 228.405 1.988 20 0 BDADRP CC[C@H](CN[C@H]1CCC[NH2+][C@H]1C)[NH+]1CCCC1 ZINC000925606335 646357234 /nfs/dbraw/zinc/35/72/34/646357234.db2.gz NHHPYKTYOHSYFR-MJBXVCDLSA-N 2 0 239.407 1.591 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925609172 646357264 /nfs/dbraw/zinc/35/72/64/646357264.db2.gz PTPMCJHUUQZPAS-LOWVWBTDSA-N 2 0 228.380 1.643 20 0 BDADRP C[C@@H](CO)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925613396 646362597 /nfs/dbraw/zinc/36/25/97/646362597.db2.gz CHPAGELECCMLSK-WCQYABFASA-N 2 0 222.332 1.437 20 0 BDADRP CC1(C)[C@H]([NH2+][C@H]2CCOC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925620169 646366820 /nfs/dbraw/zinc/36/68/20/646366820.db2.gz ABYIPINVMRIJEY-WHOHXGKFSA-N 2 0 224.348 1.142 20 0 BDADRP OCC[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000925620698 646367066 /nfs/dbraw/zinc/36/70/66/646367066.db2.gz XKVSDPGQPICORG-NEPJUHHUSA-N 2 0 224.348 1.022 20 0 BDADRP C[C@H]1CCC[N@@H+]1CCN[C@@H]1CC[NH2+]C1(C)C ZINC000925621835 646367178 /nfs/dbraw/zinc/36/71/78/646367178.db2.gz GZAVALVXRJSMKU-NWDGAFQWSA-N 2 0 225.380 1.201 20 0 BDADRP OCC[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000925620699 646367678 /nfs/dbraw/zinc/36/76/78/646367678.db2.gz XKVSDPGQPICORG-NWDGAFQWSA-N 2 0 224.348 1.022 20 0 BDADRP C/C=C\C[C@H](CO)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925640735 646383246 /nfs/dbraw/zinc/38/32/46/646383246.db2.gz IYLLXTNIYBSQMI-CRVKJFQUSA-N 2 0 240.391 1.809 20 0 BDADRP OCCCCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925654123 646392065 /nfs/dbraw/zinc/39/20/65/646392065.db2.gz PYRHELAUNJYTQJ-LLVKDONJSA-N 2 0 212.337 1.023 20 0 BDADRP OCCCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925656225 646394791 /nfs/dbraw/zinc/39/47/91/646394791.db2.gz JBKROEWPUYEISY-KBPBESRZSA-N 2 0 240.391 1.517 20 0 BDADRP COCC1(C[NH2+][C@H]2CC[NH2+]C2(C)C)CCC1 ZINC000925660947 646395970 /nfs/dbraw/zinc/39/59/70/646395970.db2.gz AHCPSGZFUOFFIF-NSHDSACASA-N 2 0 226.364 1.533 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@@H]1CCC[NH2+][C@@H]1C ZINC000925663341 646398335 /nfs/dbraw/zinc/39/83/35/646398335.db2.gz QMZZMTCLVKOQJP-JHJVBQTASA-N 2 0 227.396 1.447 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCc3nc[nH]c3C2)C12CCC2 ZINC000925667205 646398598 /nfs/dbraw/zinc/39/85/98/646398598.db2.gz AORDABWWLNXTIQ-ZWKOPEQDSA-N 2 0 246.358 1.127 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+][C@H]2CCCOC2)C12CCC2 ZINC000925675093 646404841 /nfs/dbraw/zinc/40/48/41/646404841.db2.gz UWHFAFOSQSTVLJ-GARJFASQSA-N 2 0 210.321 1.025 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925678675 646407398 /nfs/dbraw/zinc/40/73/98/646407398.db2.gz FTYOOEYEJQVQSB-AGIUHOORSA-N 2 0 242.407 1.891 20 0 BDADRP C[C@@H]([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C1CC1 ZINC000925678922 646407659 /nfs/dbraw/zinc/40/76/59/646407659.db2.gz AWWZANVYOIMZMF-JMYYVLRJSA-N 2 0 206.333 1.371 20 0 BDADRP C[C@@H]1NCCC[C@@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000925686506 646413150 /nfs/dbraw/zinc/41/31/50/646413150.db2.gz VPTDVHTUQYKRNA-JSGCOSHPSA-N 2 0 239.407 1.591 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1NC[C@@H]([NH3+])c1ccccc1 ZINC000925691591 646416679 /nfs/dbraw/zinc/41/66/79/646416679.db2.gz ITEOMRZIDPRSIQ-OLZOCXBDSA-N 2 0 233.359 1.417 20 0 BDADRP [NH3+][C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C12CCC2 ZINC000925695071 646419265 /nfs/dbraw/zinc/41/92/65/646419265.db2.gz VZCRDRRIELRMLO-NRUFJFEESA-N 2 0 235.375 1.129 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCC[C@H]1O ZINC000925695909 646422135 /nfs/dbraw/zinc/42/21/35/646422135.db2.gz YJESYHSIYRNQKB-ZCENKTDUSA-N 2 0 238.375 1.253 20 0 BDADRP C[C@@H]([NH3+])[C@H](N[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000925700194 646423495 /nfs/dbraw/zinc/42/34/95/646423495.db2.gz NJUMBLDPBFECGZ-BNOWGMLFSA-N 2 0 233.359 1.417 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CC[NH2+]C12CCCC2 ZINC000925698697 646423886 /nfs/dbraw/zinc/42/38/86/646423886.db2.gz GWNMQWCEQQDODH-FRRDWIJNSA-N 2 0 237.391 1.249 20 0 BDADRP C[C@@H]1NCCC[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000925701757 646425068 /nfs/dbraw/zinc/42/50/68/646425068.db2.gz DXPXAYJBEKVMKQ-WCQYABFASA-N 2 0 225.380 1.106 20 0 BDADRP C[C@H]([NH3+])[C@H](N[C@@H]1CC[NH2+]C[C@H]1C)c1ccccc1 ZINC000925701271 646425530 /nfs/dbraw/zinc/42/55/30/646425530.db2.gz WRFNRGRGVATJRB-OSRDXIQISA-N 2 0 247.386 1.663 20 0 BDADRP CC[C@@H]([NH3+])CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925703701 646427119 /nfs/dbraw/zinc/42/71/19/646427119.db2.gz FCVJWAPDQLCAFV-WYUUTHIRSA-N 2 0 225.380 1.090 20 0 BDADRP CC(C)(C)[N@@H+]1CC[C@@H](N[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925703223 646427640 /nfs/dbraw/zinc/42/76/40/646427640.db2.gz COSXMWLQORJMIG-VXGBXAGGSA-N 2 0 239.407 1.589 20 0 BDADRP CC[C@@H]([NH3+])CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925703699 646427747 /nfs/dbraw/zinc/42/77/47/646427747.db2.gz FCVJWAPDQLCAFV-WISYIIOYSA-N 2 0 225.380 1.090 20 0 BDADRP C1=C(CN[C@H]2CC[NH2+]C23CCC3)CCC1 ZINC000925704177 646429231 /nfs/dbraw/zinc/42/92/31/646429231.db2.gz BSDXMQSTXNVGAZ-LBPRGKRZSA-N 2 0 206.333 1.971 20 0 BDADRP C[C@@H]1NCCC[C@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000925703964 646429332 /nfs/dbraw/zinc/42/93/32/646429332.db2.gz FOANOWYRGDELJM-WCQYABFASA-N 3 0 223.364 1.026 20 0 BDADRP [NH3+][C@@H]1C[C@@H](NCC2([NH3+])CCCC2)C12CCC2 ZINC000925708863 646432236 /nfs/dbraw/zinc/43/22/36/646432236.db2.gz DMIJSPZFGDFYIQ-GHMZBOCLSA-N 2 0 223.364 1.117 20 0 BDADRP CO[C@@H](C)C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925712096 646435844 /nfs/dbraw/zinc/43/58/44/646435844.db2.gz OSFXFJSYYKNPEP-UBHSHLNASA-N 2 0 240.391 1.779 20 0 BDADRP CC[C@@H](O)C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925712672 646438701 /nfs/dbraw/zinc/43/87/01/646438701.db2.gz YYGLTMXVXAIIPR-KGLIPLIRSA-N 2 0 236.359 1.827 20 0 BDADRP C1C[C@@H]([NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)C[NH2+]1 ZINC000925717862 646442824 /nfs/dbraw/zinc/44/28/24/646442824.db2.gz IKDLSDAPGWVDFN-FDYHWXHSSA-N 2 0 224.348 1.143 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925718954 646444067 /nfs/dbraw/zinc/44/40/67/646444067.db2.gz KSKIBVPDYHVONX-ZDEQEGDKSA-N 2 0 239.407 1.623 20 0 BDADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925724933 646449715 /nfs/dbraw/zinc/44/97/15/646449715.db2.gz FUVCYXKFYAEVIC-LPWJVIDDSA-N 3 0 237.391 1.363 20 0 BDADRP COCC1CC([NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925728300 646451393 /nfs/dbraw/zinc/45/13/93/646451393.db2.gz KTCLNPORCIFGGZ-HTAVTVPLSA-N 2 0 224.348 1.286 20 0 BDADRP O[C@H]1C[C@H](C[NH2+][C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925728274 646451722 /nfs/dbraw/zinc/45/17/22/646451722.db2.gz DEGSXYAYEVPXSR-IJLUTSLNSA-N 2 0 224.348 1.022 20 0 BDADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000925726506 646452052 /nfs/dbraw/zinc/45/20/52/646452052.db2.gz TVPPQWMSHCQSLQ-NNWKIESISA-N 3 0 249.402 1.090 20 0 BDADRP C[C@@H](N)[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccccc1 ZINC000925729233 646454067 /nfs/dbraw/zinc/45/40/67/646454067.db2.gz ZHEBSTXFQFSEGY-HBJVGIJOSA-N 2 0 233.359 1.402 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCC[C@H]1CCOC1=O ZINC000925728687 646454898 /nfs/dbraw/zinc/45/48/98/646454898.db2.gz GMHXZKJQCLMDOI-QWRGUYRKSA-N 2 0 240.347 1.060 20 0 BDADRP C[C@H](N)[C@@H]([NH2+]CC1CC([NH3+])C1)c1ccccc1 ZINC000925732636 646456370 /nfs/dbraw/zinc/45/63/70/646456370.db2.gz ZHEBSTXFQFSEGY-PYULLRNSSA-N 2 0 233.359 1.402 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)C1CC[NH2+]CC1 ZINC000925731234 646456531 /nfs/dbraw/zinc/45/65/31/646456531.db2.gz ZLAWEUZHOQCNOO-AAEUAGOBSA-N 3 0 237.391 1.249 20 0 BDADRP CC(C)([NH3+])CCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000925736264 646459703 /nfs/dbraw/zinc/45/97/03/646459703.db2.gz DURLTHBXBZEXIM-QWRGUYRKSA-N 3 0 213.369 1.363 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925738212 646459895 /nfs/dbraw/zinc/45/98/95/646459895.db2.gz WVESZDSLOLZRCD-FDYHWXHSSA-N 2 0 240.391 1.907 20 0 BDADRP CC[C@@H]([NH2+]CCC(C)(C)[NH3+])[C@@H]1CCOC1 ZINC000925740307 646461953 /nfs/dbraw/zinc/46/19/53/646461953.db2.gz IEVQYLXMJUMNSX-GHMZBOCLSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@H]1C[C@H](NCCC(C)(C)[NH3+])C[N@@H+]1C1CC1 ZINC000925742697 646464192 /nfs/dbraw/zinc/46/41/92/646464192.db2.gz XBKTYOSRPLILON-QWRGUYRKSA-N 2 0 225.380 1.329 20 0 BDADRP CCC1([NH3+])CCN([C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925761502 646466284 /nfs/dbraw/zinc/46/62/84/646466284.db2.gz WCWRYOBNPUYXKC-NSHDSACASA-N 2 0 225.380 1.330 20 0 BDADRP [NH3+]C1CCC([NH2+]C[C@@H]2CC3(CCC3)CO2)CC1 ZINC000925771379 646471619 /nfs/dbraw/zinc/47/16/19/646471619.db2.gz BPJGXKFWXJIIDC-BPCQOVAHSA-N 2 0 238.375 1.805 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C ZINC000925773811 646472687 /nfs/dbraw/zinc/47/26/87/646472687.db2.gz PLASMWVQCPIWBF-OKGQBYDBSA-N 2 0 210.365 1.994 20 0 BDADRP C([NH2+][C@@H]1CCC[NH2+]CC1)[C@@H]1CC2(CCC2)CO1 ZINC000925772145 646473960 /nfs/dbraw/zinc/47/39/60/646473960.db2.gz GEPNJLQPKXFEEW-OLZOCXBDSA-N 2 0 238.375 1.677 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC[C@H]1CCCO1 ZINC000925773936 646474001 /nfs/dbraw/zinc/47/40/01/646474001.db2.gz IGBKLNJMAGABRW-GARJFASQSA-N 2 0 200.326 1.271 20 0 BDADRP OC1CCC([NH2+]C[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000925777721 646475258 /nfs/dbraw/zinc/47/52/58/646475258.db2.gz QFFWZJCCXZWHCO-KPPDAEKUSA-N 2 0 248.317 1.124 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000925785607 646481928 /nfs/dbraw/zinc/48/19/28/646481928.db2.gz PYOPGUFSUZPAAM-MROQNXINSA-N 2 0 226.364 1.389 20 0 BDADRP CC[C@H](N[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000925786728 646482669 /nfs/dbraw/zinc/48/26/69/646482669.db2.gz VLYIECLOUURAAX-YVECIDJPSA-N 2 0 225.380 1.105 20 0 BDADRP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H]1C[NH2+]C[C@H]1C ZINC000925786708 646483022 /nfs/dbraw/zinc/48/30/22/646483022.db2.gz VDVOHIOMPJTHOC-OLUVUFQESA-N 2 0 248.374 1.107 20 0 BDADRP C[C@@H]1C[C@H](NC[C@@H]2C[NH2+]C[C@H]2C)C[N@@H+]1C1CC1 ZINC000925792117 646484323 /nfs/dbraw/zinc/48/43/23/646484323.db2.gz SZKIRBAVYZGXSH-NDBYEHHHSA-N 2 0 237.391 1.057 20 0 BDADRP CC(C)[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)C1CC1 ZINC000925791735 646485741 /nfs/dbraw/zinc/48/57/41/646485741.db2.gz RQYAAQUFGRHCEI-WXHSDQCUSA-N 2 0 210.365 1.866 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925797728 646486426 /nfs/dbraw/zinc/48/64/26/646486426.db2.gz VLFWQGMWNOJRAW-LPWJVIDDSA-N 3 0 237.391 1.092 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000925804025 646489063 /nfs/dbraw/zinc/48/90/63/646489063.db2.gz YATULNPKXVLUDT-AAVRWANBSA-N 3 0 239.407 1.210 20 0 BDADRP CC1CCC([NH2+]CCN2CCC([NH3+])CC2)CC1 ZINC000925809555 646490379 /nfs/dbraw/zinc/49/03/79/646490379.db2.gz REOKLWXDVURCJU-UHFFFAOYSA-N 2 0 239.407 1.578 20 0 BDADRP CN(C)c1cc[nH+]c(CN[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000925807837 646491051 /nfs/dbraw/zinc/49/10/51/646491051.db2.gz DLHBYEFUBRODFK-QWHCGFSZSA-N 2 0 234.347 1.117 20 0 BDADRP C[C@@H]([NH2+][C@@H]1C[C@H]1[C@@H]1C[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000925823498 646496787 /nfs/dbraw/zinc/49/67/87/646496787.db2.gz OBKKQNFMHFRIFB-WXCVZDNMSA-N 2 0 208.349 1.619 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000925830993 646500658 /nfs/dbraw/zinc/50/06/58/646500658.db2.gz HVGRZQHGJGYJQQ-JQCXWYLXSA-N 2 0 222.254 1.654 20 0 BDADRP CO[C@@H](C)[C@H](C)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925840516 646506302 /nfs/dbraw/zinc/50/63/02/646506302.db2.gz AZAQKGVWKFSTMO-WUHRBBMRSA-N 2 0 226.364 1.532 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000925860509 646513522 /nfs/dbraw/zinc/51/35/22/646513522.db2.gz ZBTAPFMOUPMIPE-AVGNSLFASA-N 2 0 228.380 1.658 20 0 BDADRP COC[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)C(C)C ZINC000925872924 646523714 /nfs/dbraw/zinc/52/37/14/646523714.db2.gz BINPSTASYMSZBH-YNEHKIRRSA-N 2 0 228.380 1.765 20 0 BDADRP COC[C@@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)C(C)C ZINC000925874157 646524084 /nfs/dbraw/zinc/52/40/84/646524084.db2.gz OUHCTNFYGZGFIB-UPJWGTAASA-N 2 0 228.380 1.635 20 0 BDADRP COC[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)C(C)C ZINC000925874155 646524556 /nfs/dbraw/zinc/52/45/56/646524556.db2.gz OUHCTNFYGZGFIB-RWMBFGLXSA-N 2 0 228.380 1.635 20 0 BDADRP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925875705 646526485 /nfs/dbraw/zinc/52/64/85/646526485.db2.gz MMEXAZDWZZXXMX-JLLWLGSASA-N 2 0 236.363 1.507 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925880143 646529056 /nfs/dbraw/zinc/52/90/56/646529056.db2.gz OPJPVPMQXCLKCS-TUAOUCFPSA-N 3 0 213.369 1.221 20 0 BDADRP Cc1cc([C@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)n(C)n1 ZINC000925879955 646529189 /nfs/dbraw/zinc/52/91/89/646529189.db2.gz NBEKDAVKMVPGAW-TUAOUCFPSA-N 2 0 236.363 1.507 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000925879556 646529534 /nfs/dbraw/zinc/52/95/34/646529534.db2.gz HXRKASGEUBVQJM-MROQNXINSA-N 2 0 226.364 1.661 20 0 BDADRP Cc1cc([C@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)nn1C ZINC000925879419 646529695 /nfs/dbraw/zinc/52/96/95/646529695.db2.gz DLQXGOUXNWAMDG-TUAOUCFPSA-N 2 0 236.363 1.507 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000925880595 646530770 /nfs/dbraw/zinc/53/07/70/646530770.db2.gz UJCUVHNZNIQORG-VOAKCMCISA-N 3 0 239.407 1.609 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000925880594 646531542 /nfs/dbraw/zinc/53/15/42/646531542.db2.gz UJCUVHNZNIQORG-MROQNXINSA-N 3 0 239.407 1.609 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000925893117 646534706 /nfs/dbraw/zinc/53/47/06/646534706.db2.gz LHTUHWOMLSIKRZ-SDDRHHMPSA-N 2 0 226.364 1.804 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2([C@H]3CCCCO3)CC2)C1 ZINC000925894249 646535507 /nfs/dbraw/zinc/53/55/07/646535507.db2.gz VLTGGZXPUXUJSP-JHJVBQTASA-N 2 0 238.375 1.948 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1cn(C)cn1 ZINC000926450697 646641777 /nfs/dbraw/zinc/64/17/77/646641777.db2.gz QMJMMPQGDOUIEE-VHSXEESVSA-N 2 0 245.330 1.351 20 0 BDADRP Cc1cc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)nn1C ZINC000723886000 711543212 /nfs/dbraw/zinc/54/32/12/711543212.db2.gz FPRMZNLTTCPOTA-ZYHUDNBSSA-N 2 0 236.363 1.145 20 0 BDADRP CCCCC1([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC000934203628 711575157 /nfs/dbraw/zinc/57/51/57/711575157.db2.gz TWRYJIUUYULTOO-CYBMUJFWSA-N 2 0 242.407 2.000 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@H](CO)CC2CC2)CC1 ZINC000893208660 711698584 /nfs/dbraw/zinc/69/85/84/711698584.db2.gz AYBXIGKAXVJUAR-CYBMUJFWSA-N 2 0 226.364 1.079 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CCSC2)C1 ZINC000704811996 711892227 /nfs/dbraw/zinc/89/22/27/711892227.db2.gz KCYSIPQZZXJOAP-UTUOFQBUSA-N 2 0 228.405 1.989 20 0 BDADRP CO[C@H]1C[C@@H](C[N@H+](C)CC(C)(C)C[NH3+])C1 ZINC000721921072 711937076 /nfs/dbraw/zinc/93/70/76/711937076.db2.gz WBRJZZWKFJZSIG-PHIMTYICSA-N 2 0 214.353 1.328 20 0 BDADRP FC1(F)CC(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000383006254 711945060 /nfs/dbraw/zinc/94/50/60/711945060.db2.gz AWHGDUHKLWDITE-AOOOYVTPSA-N 2 0 216.275 1.183 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC2=CCCC2)C12CCC2 ZINC000702365263 712048626 /nfs/dbraw/zinc/04/86/26/712048626.db2.gz VMTOCLJYXUNOBZ-VXGBXAGGSA-N 2 0 206.333 1.956 20 0 BDADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ncc[nH]1 ZINC000702670287 712057886 /nfs/dbraw/zinc/05/78/86/712057886.db2.gz VPFZYUAPFSYBGL-JTQLQIEISA-N 2 0 222.336 1.450 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2ccoc2)C12CCC2 ZINC000703076142 712066528 /nfs/dbraw/zinc/06/65/28/712066528.db2.gz REDDUTYDVUBZMG-VXGBXAGGSA-N 2 0 220.316 1.682 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCSC1)[C@@H]1CC[NH2+]C1 ZINC000704777970 712116125 /nfs/dbraw/zinc/11/61/25/712116125.db2.gz WLSIYADWASTHER-SDDRHHMPSA-N 2 0 228.405 1.717 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)C1 ZINC000709034118 712206290 /nfs/dbraw/zinc/20/62/90/712206290.db2.gz JLYQLRHLENLJKP-WYUUTHIRSA-N 2 0 212.337 1.081 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)C1 ZINC000709034114 712206292 /nfs/dbraw/zinc/20/62/92/712206292.db2.gz JLYQLRHLENLJKP-NNYUYHANSA-N 2 0 212.337 1.081 20 0 BDADRP CSCCC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710648117 712264922 /nfs/dbraw/zinc/26/49/22/712264922.db2.gz GKIHXHKPVXDXRO-UHFFFAOYSA-N 2 0 246.420 1.128 20 0 BDADRP COC1(OC)CC[C@@H]1NCCC[N@H+](C)C(C)C ZINC000710988674 712272117 /nfs/dbraw/zinc/27/21/17/712272117.db2.gz MLYCZHZIUSCKKF-LBPRGKRZSA-N 2 0 244.379 1.458 20 0 BDADRP C=C/C=C/CC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000713730612 712470836 /nfs/dbraw/zinc/47/08/36/712470836.db2.gz DBGIYVSFHUWHAJ-OOPCZODUSA-N 2 0 206.333 1.804 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000715554076 712528166 /nfs/dbraw/zinc/52/81/66/712528166.db2.gz UZWAMPRMRAZIPJ-FQUUOJAGSA-N 2 0 239.407 1.589 20 0 BDADRP CC(C)C[C@H](C[NH+](C)C)NC1CC[NH+](C)CC1 ZINC000037166729 712549548 /nfs/dbraw/zinc/54/95/48/712549548.db2.gz FFUAAHZCMHJPRY-CQSZACIVSA-N 2 0 241.423 1.647 20 0 BDADRP [NH3+]C1CC[NH+](C[C@H]2CCC3(CCC3)CO2)CC1 ZINC000716278656 712553220 /nfs/dbraw/zinc/55/32/20/712553220.db2.gz NRJLYTYRAAZJLG-CYBMUJFWSA-N 2 0 238.375 1.759 20 0 BDADRP CC1(C)CO[C@H](C[NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000717283705 712644647 /nfs/dbraw/zinc/64/46/47/712644647.db2.gz FGKOVDNKRHKGBN-SDDRHHMPSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@H]1[C@H](N[C@@H]2CC[NH+](C)[C@H](C)C2)CC[N@@H+]1C ZINC000719627773 712814891 /nfs/dbraw/zinc/81/48/91/712814891.db2.gz WQSIHZQAWRNFCZ-YVECIDJPSA-N 2 0 225.380 1.151 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@@H](C)CC2)CC[NH2+]1 ZINC000719777924 712824394 /nfs/dbraw/zinc/82/43/94/712824394.db2.gz JLMSCVWTCPEXBS-AGIUHOORSA-N 2 0 226.364 1.485 20 0 BDADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCc1ccns1 ZINC000719846549 712825963 /nfs/dbraw/zinc/82/59/63/712825963.db2.gz QFOJGNRRQPAGQK-NSHDSACASA-N 2 0 239.388 1.889 20 0 BDADRP CC(C)[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720869074 712872169 /nfs/dbraw/zinc/87/21/69/712872169.db2.gz CBAWWBCUWDSMBP-SFYZADRCSA-N 2 0 210.243 1.464 20 0 BDADRP C[N@H+](CCC[NH3+])C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000720868389 712872172 /nfs/dbraw/zinc/87/21/72/712872172.db2.gz XWFCJEUDSXMGGX-GRYCIOLGSA-N 2 0 212.337 1.225 20 0 BDADRP C[C@@H](C[NH2+][C@H]1CC[C@H]1C)N1CC[NH+](C)CC1 ZINC000381464475 710640064 /nfs/dbraw/zinc/64/00/64/710640064.db2.gz KUPIIIPJXOBDMZ-AGIUHOORSA-N 2 0 225.380 1.010 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+]C2CC(OC)C2)C1 ZINC000381483789 710645586 /nfs/dbraw/zinc/64/55/86/710645586.db2.gz UJTQLTHWHKYNEU-PNESKVBLSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@H](CCO)C2CC2)CCN1C ZINC000381729324 710688796 /nfs/dbraw/zinc/68/87/96/710688796.db2.gz NDNBIDHVMQJOLV-KGYLQXTDSA-N 2 0 226.364 1.220 20 0 BDADRP CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000723117398 710726604 /nfs/dbraw/zinc/72/66/04/710726604.db2.gz IAYCMOYTEVUDIU-MROQNXINSA-N 2 0 208.349 1.716 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC2(CCC2)C1 ZINC000380520705 712901412 /nfs/dbraw/zinc/90/14/12/712901412.db2.gz SSHPKFVWLVZEEW-NEPJUHHUSA-N 2 0 208.349 1.718 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CCCCC[C@H]1CO ZINC000385891218 711019417 /nfs/dbraw/zinc/01/94/17/711019417.db2.gz ZFYRBCWSDTYBBQ-ZDUSSCGKSA-N 2 0 228.380 1.742 20 0 BDADRP CC[NH+]1CCC(N[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000385854976 711019749 /nfs/dbraw/zinc/01/97/49/711019749.db2.gz VVUIKLSNKAOHDK-XSXPHNMFSA-N 2 0 249.402 1.057 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CCCCC[C@@H]1CO ZINC000385891211 711019815 /nfs/dbraw/zinc/01/98/15/711019815.db2.gz ZFYRBCWSDTYBBQ-CYBMUJFWSA-N 2 0 228.380 1.742 20 0 BDADRP CCOC(=O)CCCCC[N@H+](C)C[C@H](C)[NH3+] ZINC000390081307 711104694 /nfs/dbraw/zinc/10/46/94/711104694.db2.gz BVVJXTOFGXIRJB-NSHDSACASA-N 2 0 230.352 1.389 20 0 BDADRP CCN(C[C@@H]([NH3+])CC(F)F)C[C@H]1CCCO1 ZINC000390254017 711110338 /nfs/dbraw/zinc/11/03/38/711110338.db2.gz VLOMTAYHBVVWRC-VHSXEESVSA-N 2 0 236.306 1.470 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@H](CCO)C1CC1 ZINC000393775704 711174069 /nfs/dbraw/zinc/17/40/69/711174069.db2.gz KIXKAPUYEAXBSS-ZDUSSCGKSA-N 2 0 228.380 1.469 20 0 BDADRP C(CC1CC1)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000394459645 711192352 /nfs/dbraw/zinc/19/23/52/711192352.db2.gz UBQXLEHDGTYTEZ-AWEZNQCLSA-N 2 0 237.391 1.156 20 0 BDADRP C[C@H](CC(C)(C)O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000395034571 711200438 /nfs/dbraw/zinc/20/04/38/711200438.db2.gz QYGKEFOQBPBOKV-ODWCKFRGSA-N 2 0 240.391 1.751 20 0 BDADRP C[C@@H](CCCO)C[NH2+]CC1CC[NH+](C)CC1 ZINC000395028010 711201149 /nfs/dbraw/zinc/20/11/49/711201149.db2.gz GHMSITIYHWIYDG-LBPRGKRZSA-N 2 0 228.380 1.326 20 0 BDADRP CC[NH+](CC)CCN[C@@H]1CCC[NH2+][C@@H]1C ZINC000396636237 711361274 /nfs/dbraw/zinc/36/12/74/711361274.db2.gz KKAIFALVCLJRAH-VXGBXAGGSA-N 2 0 213.369 1.058 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000396592738 711354866 /nfs/dbraw/zinc/35/48/66/711354866.db2.gz UNNCKVRBVNQBID-SCRDCRAPSA-N 2 0 237.391 1.201 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1NCCC[NH+]1CCCCC1 ZINC000396576429 711357984 /nfs/dbraw/zinc/35/79/84/711357984.db2.gz CPPCMHISZROMOL-KBPBESRZSA-N 2 0 239.407 1.593 20 0 BDADRP C[C@@H]1NCCC[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000396715114 711367548 /nfs/dbraw/zinc/36/75/48/711367548.db2.gz QYNAHYUXEHZIBP-AAEUAGOBSA-N 2 0 225.380 1.058 20 0 BDADRP [NH3+]C1(C[NH2+]CCCOC(F)(F)F)CCC1 ZINC000398204862 711404108 /nfs/dbraw/zinc/40/41/08/711404108.db2.gz FPIGVKQGOSGDFI-UHFFFAOYSA-N 2 0 226.242 1.384 20 0 BDADRP CC(C)[C@@](C)(CO)[NH2+]CC1CC[NH+](C)CC1 ZINC000398523362 711412001 /nfs/dbraw/zinc/41/20/01/711412001.db2.gz SSHKGWUJJMWYPL-CYBMUJFWSA-N 2 0 228.380 1.325 20 0 BDADRP C[N@H+](C[C@@H]1CCOC1)C[C@]1(C)CCC[NH2+]C1 ZINC000398879132 711416326 /nfs/dbraw/zinc/41/63/26/711416326.db2.gz GSPFETAAMVEQQJ-QWHCGFSZSA-N 2 0 226.364 1.344 20 0 BDADRP COc1cc(C[NH+]2CCC(C[NH3+])CC2)sn1 ZINC000399078198 711419816 /nfs/dbraw/zinc/41/98/16/711419816.db2.gz VVBADQXXBZRGST-UHFFFAOYSA-N 2 0 241.360 1.322 20 0 BDADRP C[C@H]([NH3+])C[N@H+](C)CC[C@@H]1CC1(Cl)Cl ZINC000399265437 711426114 /nfs/dbraw/zinc/42/61/14/711426114.db2.gz RHNRSYUGMLUVJM-JGVFFNPUSA-N 2 0 225.163 1.849 20 0 BDADRP C[N@H+](CC[C@H]1CC1(Cl)Cl)C1CC([NH3+])C1 ZINC000399441630 711430328 /nfs/dbraw/zinc/43/03/28/711430328.db2.gz WFNIYLSXVQZUMD-UEJVZZJDSA-N 2 0 237.174 1.992 20 0 BDADRP CC1(C)CC[C@H]([NH2+]CCN2CCC([NH3+])CC2)C1 ZINC000133156041 710969345 /nfs/dbraw/zinc/96/93/45/710969345.db2.gz KQUOQSSMWIWIOZ-ZDUSSCGKSA-N 2 0 239.407 1.578 20 0 BDADRP CC[C@@H]1C[C@H]1C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000723054916 711498049 /nfs/dbraw/zinc/49/80/49/711498049.db2.gz GGYYCXFWAHQMRD-RQJABVFESA-N 2 0 222.376 1.964 20 0 BDADRP Cc1nc(C)c(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)o1 ZINC000723626776 711526931 /nfs/dbraw/zinc/52/69/31/711526931.db2.gz IISWPGSUJOZWBF-LDYMZIIASA-N 2 0 223.320 1.318 20 0 BDADRP Cc1nc(C)c(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)o1 ZINC000723646506 711529926 /nfs/dbraw/zinc/52/99/26/711529926.db2.gz IISWPGSUJOZWBF-GZMMTYOYSA-N 2 0 223.320 1.318 20 0 BDADRP CCc1nc(C[N@@H+]2CC[C@H](CC[NH3+])C2)cs1 ZINC000723713737 711535244 /nfs/dbraw/zinc/53/52/44/711535244.db2.gz ZMLZKDLTJVGBSM-JTQLQIEISA-N 2 0 239.388 1.876 20 0 BDADRP C[C@@H](c1cnccn1)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723713680 711535723 /nfs/dbraw/zinc/53/57/23/711535723.db2.gz XITKVNZDOJCZLD-QWRGUYRKSA-N 2 0 220.320 1.208 20 0 BDADRP CCOC(=O)[C@H](CC)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723892292 711543787 /nfs/dbraw/zinc/54/37/87/711543787.db2.gz QYXKSQPQWIGNIL-UTUOFQBUSA-N 2 0 242.363 1.245 20 0 BDADRP C[C@@H]1C[N@H+](CCOc2ccccc2)C[C@H]1CC[NH3+] ZINC000723902701 711544739 /nfs/dbraw/zinc/54/47/39/711544739.db2.gz YSLRCDPOOAWLKA-ZIAGYGMSSA-N 2 0 248.370 1.982 20 0 BDADRP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)[C@@H]1CCCOC1 ZINC000723957059 711547484 /nfs/dbraw/zinc/54/74/84/711547484.db2.gz SYOZPSRLIDWIKG-MQYQWHSLSA-N 2 0 240.391 1.922 20 0 BDADRP CO[C@@H]1CC[C@@H]1[N@H+](C)CCC[NH2+]C1CC1 ZINC000724177176 711567029 /nfs/dbraw/zinc/56/70/29/711567029.db2.gz BULJQMNRPBEHRN-NWDGAFQWSA-N 2 0 212.337 1.238 20 0 BDADRP CC(C)[C@H](CNC1=[NH+]C[C@H](C)N1)[NH+]1CCCC1 ZINC000848984111 711587775 /nfs/dbraw/zinc/58/77/75/711587775.db2.gz PIZMEKPMBBZAOJ-RYUDHWBXSA-N 2 0 238.379 1.044 20 0 BDADRP CC[NH+]1CCC(N[C@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000719626574 711672855 /nfs/dbraw/zinc/67/28/55/711672855.db2.gz SYJBJGCSCNDBAG-YPMHNXCESA-N 2 0 225.380 1.153 20 0 BDADRP CSC(C)(C)CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000385283632 711687268 /nfs/dbraw/zinc/68/72/68/711687268.db2.gz HBKNSITXQBKCBV-PHIMTYICSA-N 2 0 228.405 1.669 20 0 BDADRP CC(C)[C@](C)(CO)[NH2+]CC1CC[NH+](C)CC1 ZINC000398523364 711710952 /nfs/dbraw/zinc/71/09/52/711710952.db2.gz SSHKGWUJJMWYPL-ZDUSSCGKSA-N 2 0 228.380 1.325 20 0 BDADRP CC[C@H]1C[N@H+](C[C@@H](O)c2ccccc2)CC[C@H]1[NH3+] ZINC000313544724 711727419 /nfs/dbraw/zinc/72/74/19/711727419.db2.gz BPHLACHCHZATFF-NWANDNLSSA-N 2 0 248.370 1.779 20 0 BDADRP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925791145 711752763 /nfs/dbraw/zinc/75/27/63/711752763.db2.gz OAYOBUPSDMHZEK-KKZNHRDASA-N 2 0 222.336 1.224 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCc2ccns2)C1 ZINC000710029011 711760101 /nfs/dbraw/zinc/76/01/01/711760101.db2.gz ZRSHFBXPEUKKCX-ZJUUUORDSA-N 2 0 225.361 1.545 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000925880155 711762057 /nfs/dbraw/zinc/76/20/57/711762057.db2.gz PAGHUPZVRRDCHL-RYMFRWLXSA-N 3 0 237.391 1.092 20 0 BDADRP CC[C@H]([NH2+]CCCCCC[NH3+])[C@@H]1CCOC1 ZINC000843340877 711762397 /nfs/dbraw/zinc/76/23/97/711762397.db2.gz GJNWZIFBZHCFRM-OLZOCXBDSA-N 2 0 228.380 1.910 20 0 BDADRP CCn1cc(C[N@@H+]2CC[C@H](CC[NH3+])C2)cn1 ZINC000160068663 711805435 /nfs/dbraw/zinc/80/54/35/711805435.db2.gz JHDRJJPECPUZNH-NSHDSACASA-N 2 0 222.336 1.074 20 0 BDADRP Cc1c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cnn1C ZINC000229067855 711837298 /nfs/dbraw/zinc/83/72/98/711837298.db2.gz QVGSNOOTPYDJEA-PWSUYJOCSA-N 2 0 236.363 1.145 20 0 BDADRP CSC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000229085102 711837595 /nfs/dbraw/zinc/83/75/95/711837595.db2.gz FCWOXVWPHBUIIZ-NXEZZACHSA-N 2 0 216.394 1.845 20 0 BDADRP C([NH2+][C@H]1CCCSC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000061588237 711839034 /nfs/dbraw/zinc/83/90/34/711839034.db2.gz BQIMJNZPEDGVED-NEPJUHHUSA-N 2 0 240.416 1.956 20 0 BDADRP Cc1nccn1CCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925473659 711878819 /nfs/dbraw/zinc/87/88/19/711878819.db2.gz NWXRYPJMMRHPPA-CHWSQXEVSA-N 2 0 248.374 1.441 20 0 BDADRP CCOCCC[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000083550339 711916577 /nfs/dbraw/zinc/91/65/77/711916577.db2.gz ZZHASYVYRDWHCR-NSHDSACASA-N 2 0 200.326 1.084 20 0 BDADRP CO[C@H]1C[C@@H](C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000721926310 711938054 /nfs/dbraw/zinc/93/80/54/711938054.db2.gz DGECNCJRGPPJRW-VEFJFZMTSA-N 2 0 238.375 1.626 20 0 BDADRP CC[C@H](C)[C@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000721936171 711940511 /nfs/dbraw/zinc/94/05/11/711940511.db2.gz AABNLOCCSULNND-RYUDHWBXSA-N 2 0 227.396 1.434 20 0 BDADRP CC(C)[C@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000721936457 711940713 /nfs/dbraw/zinc/94/07/13/711940713.db2.gz BACXMOZXDDZGIL-NSHDSACASA-N 2 0 213.369 1.044 20 0 BDADRP COc1cncc(CNC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000700055013 711985180 /nfs/dbraw/zinc/98/51/80/711985180.db2.gz BRNXDWLOAKLSPQ-LBPRGKRZSA-N 2 0 249.358 1.522 20 0 BDADRP C[C@@H]1C[NH+](C[C@H]2CCCC[NH2+]C2)C[C@H]1C ZINC000700256378 711988829 /nfs/dbraw/zinc/98/88/29/711988829.db2.gz GVASDLGAKDOHGE-UPJWGTAASA-N 2 0 210.365 1.964 20 0 BDADRP C[C@H]1C[N@H+](C[C@H]2CCCC[NH2+]C2)CCCO1 ZINC000700405968 711991975 /nfs/dbraw/zinc/99/19/75/711991975.db2.gz UOCVIOKPQWZAEK-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H]1CC[N@H+](CC2CC[NH+](C)CC2)C[C@@H]1CO ZINC000700402179 711992562 /nfs/dbraw/zinc/99/25/62/711992562.db2.gz ZCWDKRMJIICULP-TZMCWYRMSA-N 2 0 240.391 1.279 20 0 BDADRP C[C@@H](CC[NH2+][C@H]1CCSC1)[NH+](C)C ZINC000700508760 711995059 /nfs/dbraw/zinc/99/50/59/711995059.db2.gz YLWHJXMYYYZGDK-UWVGGRQHSA-N 2 0 202.367 1.422 20 0 BDADRP C[C@@H]1COC[C@H]1[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000700809700 712006931 /nfs/dbraw/zinc/00/69/31/712006931.db2.gz RPTXOZKLEDBXLQ-FRRDWIJNSA-N 2 0 226.364 1.343 20 0 BDADRP C[N@@H+]1CCCC[C@@H](C[NH2+]C[C@H]2CCCOC2)C1 ZINC000700819906 712007644 /nfs/dbraw/zinc/00/76/44/712007644.db2.gz VZDMRZJXJLUGKI-UONOGXRCSA-N 2 0 240.391 1.735 20 0 BDADRP C[NH+](C)CCC1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000700844643 712008208 /nfs/dbraw/zinc/00/82/08/712008208.db2.gz IWTVNTXXTZRCHI-AWEZNQCLSA-N 2 0 240.391 1.421 20 0 BDADRP CC(C)CCOCC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702096622 712038852 /nfs/dbraw/zinc/03/88/52/712038852.db2.gz AIQWGNIUPIMIRE-UONOGXRCSA-N 2 0 240.391 1.590 20 0 BDADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)C1(Cl)CC1 ZINC000702264792 712043319 /nfs/dbraw/zinc/04/33/19/712043319.db2.gz WCURNUOVTFRIPO-JTQLQIEISA-N 2 0 246.782 1.193 20 0 BDADRP C[N@@H+]1C[C@@H]2CN(CC[NH2+]C(C)(C)C)C[C@]2(C)C1 ZINC000702319524 712044126 /nfs/dbraw/zinc/04/41/26/712044126.db2.gz SMSLBZWLZCBUMH-OCCSQVGLSA-N 2 0 239.407 1.258 20 0 BDADRP CC(C)([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1nccs1 ZINC000703488480 712076755 /nfs/dbraw/zinc/07/67/55/712076755.db2.gz VRULNEPHCDYCRA-DTORHVGOSA-N 2 0 225.361 1.705 20 0 BDADRP C[C@H]([NH2+]C1CCC(C)(O)CC1)[C@@H]1CC[NH2+]C1 ZINC000703604733 712081796 /nfs/dbraw/zinc/08/17/96/712081796.db2.gz IYKWHZIWPUKGMO-ZFDZMSFRSA-N 2 0 226.364 1.268 20 0 BDADRP CC1(O)CCC([NH2+][C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000703602930 712082305 /nfs/dbraw/zinc/08/23/05/712082305.db2.gz MSSUJIPRKNXHKK-CQLXCSJHSA-N 2 0 226.364 1.397 20 0 BDADRP COC1CCC([NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000703803533 712088150 /nfs/dbraw/zinc/08/81/50/712088150.db2.gz TXSHPBHBVSMWQV-TUUUFIMRSA-N 2 0 238.375 1.804 20 0 BDADRP CCOC[C@@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000707515438 712171814 /nfs/dbraw/zinc/17/18/14/712171814.db2.gz ZUXUZTVGVCEINZ-UPJWGTAASA-N 2 0 226.364 1.472 20 0 BDADRP C([C@@H]1CCCC[NH2+]C1)[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000707632867 712175886 /nfs/dbraw/zinc/17/58/86/712175886.db2.gz CCDKOWLBXVGUJH-KGLIPLIRSA-N 2 0 238.375 1.489 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000707663802 712176474 /nfs/dbraw/zinc/17/64/74/712176474.db2.gz XFWDMJCMWZDGDM-ZDUSSCGKSA-N 2 0 226.364 1.618 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000708390163 712192021 /nfs/dbraw/zinc/19/20/21/712192021.db2.gz QOMQXTGLBKHLGW-NNYUYHANSA-N 2 0 212.337 1.223 20 0 BDADRP CC1(C)C[C@@H](C[N@@H+]2CC[C@H](C[NH3+])C2)C(C)(C)O1 ZINC000709687389 712215493 /nfs/dbraw/zinc/21/54/93/712215493.db2.gz PRRAMGNZXOOCNC-NEPJUHHUSA-N 2 0 240.391 1.861 20 0 BDADRP C[C@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+]C1CC(F)(F)C1)[NH2+]2 ZINC000709476777 712222718 /nfs/dbraw/zinc/22/27/18/712222718.db2.gz NFDBZDOMIHCAFF-OINDSLJFSA-N 2 0 230.302 1.903 20 0 BDADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCc1cccnc1)C2 ZINC000709835652 712229406 /nfs/dbraw/zinc/22/94/06/712229406.db2.gz JOFHPMDEXWPECA-MJBXVCDLSA-N 2 0 231.343 1.436 20 0 BDADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCOc1ccccc1)C2 ZINC000709851719 712229773 /nfs/dbraw/zinc/22/97/73/712229773.db2.gz DTOFRJOZYHWFSU-IHRRRGAJSA-N 2 0 246.354 1.877 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2ccns2)C12CCC2 ZINC000709969196 712235928 /nfs/dbraw/zinc/23/59/28/712235928.db2.gz YQVPBAGHPSZGEM-MNOVXSKESA-N 2 0 237.372 1.545 20 0 BDADRP C[N@H+](CCCCCC[NH3+])CCCn1ccnc1 ZINC000710715130 712255461 /nfs/dbraw/zinc/25/54/61/712255461.db2.gz YYMSVNMHJHTZIH-UHFFFAOYSA-N 2 0 238.379 1.724 20 0 BDADRP C[C@H]1COC[C@H]1[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000710878213 712260727 /nfs/dbraw/zinc/26/07/27/712260727.db2.gz YZDFCQHKTVCPAE-CMPLNLGQSA-N 2 0 240.391 1.920 20 0 BDADRP CC[C@@]1(O)CCC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000710639371 712264477 /nfs/dbraw/zinc/26/44/77/712264477.db2.gz DLAKGOBLHJZAOZ-CQSZACIVSA-N 2 0 240.391 1.565 20 0 BDADRP FC[C@@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000711451356 712302412 /nfs/dbraw/zinc/30/24/12/712302412.db2.gz CNQGBRWEIYJIPB-QWRGUYRKSA-N 2 0 200.301 1.277 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@H](CF)C2)C1 ZINC000711444300 712300595 /nfs/dbraw/zinc/30/05/95/712300595.db2.gz QHTBYEHNWGZHBR-QJPTWQEYSA-N 2 0 214.328 1.795 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@@H](CF)C2)C1 ZINC000711457488 712304875 /nfs/dbraw/zinc/30/48/75/712304875.db2.gz VQFBPCXKTKMEJH-GARJFASQSA-N 2 0 200.301 1.405 20 0 BDADRP C(C[N@@H+]1C[C@@H]2CSC[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000711538860 712309778 /nfs/dbraw/zinc/30/97/78/712309778.db2.gz ZGVMLOMGGHLNAT-UTUOFQBUSA-N 2 0 226.389 1.281 20 0 BDADRP C([C@H]1CCCC[NH2+]C1)[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711532707 712310019 /nfs/dbraw/zinc/31/00/19/712310019.db2.gz FURCSTSUMCKTPR-RWMBFGLXSA-N 2 0 240.416 1.671 20 0 BDADRP C[C@@H]1[C@H](C)NC[C@H](C)[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000923435142 712322286 /nfs/dbraw/zinc/32/22/86/712322286.db2.gz DRELJIDAVBFNOJ-RVMXOQNASA-N 2 0 225.380 1.057 20 0 BDADRP C[NH2+]CCC1CC[NH+](CCOC2CC2)CC1 ZINC000711758522 712325935 /nfs/dbraw/zinc/32/59/35/712325935.db2.gz JMTBHZRJXYOLJB-UHFFFAOYSA-N 2 0 226.364 1.487 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](Cc2coc(C3CC3)n2)C1 ZINC000923479005 712334251 /nfs/dbraw/zinc/33/42/51/712334251.db2.gz LHOKYHCRADDGEW-JTQLQIEISA-N 2 0 235.331 1.723 20 0 BDADRP C1=CO[C@@H](CN2C[C@@H]3CCC[NH2+][C@@H]3C2)CC1 ZINC000378728181 712358839 /nfs/dbraw/zinc/35/88/39/712358839.db2.gz VHSXVVVOWZQZPM-YNEHKIRRSA-N 2 0 222.332 1.363 20 0 BDADRP C[N@H+](CCC[NH3+])C[C@H]1CCC2(CCC2)O1 ZINC000712436673 712429722 /nfs/dbraw/zinc/42/97/22/712429722.db2.gz GLYXRWZMWXQNDD-LLVKDONJSA-N 2 0 212.337 1.369 20 0 BDADRP CCN1CC[C@@H]1C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000712586526 712434934 /nfs/dbraw/zinc/43/49/34/712434934.db2.gz MIQJHDKOMJFGGD-TZMCWYRMSA-N 2 0 239.407 1.401 20 0 BDADRP C[N@@H+]1CCN(C[C@@H]([NH3+])CC(F)F)CCC1(C)C ZINC000712670567 712440238 /nfs/dbraw/zinc/44/02/38/712440238.db2.gz LCYSBGAYLNNEEL-JTQLQIEISA-N 2 0 249.349 1.385 20 0 BDADRP CCSCC[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000713176495 712453153 /nfs/dbraw/zinc/45/31/53/712453153.db2.gz PFGMQLRVCZDIBU-UHFFFAOYSA-N 2 0 228.405 1.958 20 0 BDADRP c1ccc(CN2CC[NH2+]CCC23CCC3)nc1 ZINC000713202952 712454842 /nfs/dbraw/zinc/45/48/42/712454842.db2.gz CGKRDNATDFGZFP-UHFFFAOYSA-N 2 0 231.343 1.800 20 0 BDADRP C[C@@H]1CC[C@@H](C[N@@H+]2CC[NH2+]CCC23CCC3)O1 ZINC000713209540 712455168 /nfs/dbraw/zinc/45/51/68/712455168.db2.gz CIKWYQYNKAOPDM-OLZOCXBDSA-N 2 0 238.375 1.772 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCCOC(F)(F)F)C1 ZINC000713405696 712459202 /nfs/dbraw/zinc/45/92/02/712459202.db2.gz NFNPKWQFBRBRFZ-IUCAKERBSA-N 2 0 240.269 1.582 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000714602430 712488331 /nfs/dbraw/zinc/48/83/31/712488331.db2.gz CCAYYUCLEXBHLB-KKOKHZNYSA-N 2 0 224.348 1.271 20 0 BDADRP COC[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000714444212 712489134 /nfs/dbraw/zinc/48/91/34/712489134.db2.gz RWACTOFEIOCEDQ-IGQOVBAYSA-N 2 0 238.375 1.628 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H](C3CC3)O2)CC[C@@H]1[NH3+] ZINC000715479653 712520804 /nfs/dbraw/zinc/52/08/04/712520804.db2.gz HWNYQVHBMHWCHG-VZZFWQQMSA-N 2 0 238.375 1.613 20 0 BDADRP Cc1cc(NC2CCC([NH+](C)C)CC2)nc(N)[nH+]1 ZINC000715580873 712527221 /nfs/dbraw/zinc/52/72/21/712527221.db2.gz ZFTGTTLUJWANFG-UHFFFAOYSA-N 2 0 249.362 1.652 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1C[C@H]1[C@H]1C[C@H]1C)C1C[NH2+]C1 ZINC000716666361 712568894 /nfs/dbraw/zinc/56/88/94/712568894.db2.gz XVQSKHYYDLLOJZ-SFBVEUQXSA-N 2 0 208.349 1.476 20 0 BDADRP CC[C@@H](C[C@@H](C)O)[NH2+]CC1CC[NH+](C)CC1 ZINC000716804822 712575435 /nfs/dbraw/zinc/57/54/35/712575435.db2.gz ZXMLMNZHPUNWFB-YPMHNXCESA-N 2 0 228.380 1.467 20 0 BDADRP CC[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000717008760 712604039 /nfs/dbraw/zinc/60/40/39/712604039.db2.gz CUQOSTOBVQNTFK-RKDXNWHRSA-N 2 0 206.280 1.619 20 0 BDADRP CC1(C)CO[C@H](C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000717319117 712646776 /nfs/dbraw/zinc/64/67/76/712646776.db2.gz QKMVMGUKPBEQBH-FRRDWIJNSA-N 2 0 240.391 1.909 20 0 BDADRP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC000717653464 712663267 /nfs/dbraw/zinc/66/32/67/712663267.db2.gz WYYWMNGXZAASMY-AAEUAGOBSA-N 2 0 228.380 1.765 20 0 BDADRP Cc1[nH+]ccc(N[C@H]2CC[N@H+](C)[C@H]2C)c1Cl ZINC000719569209 712810255 /nfs/dbraw/zinc/81/02/55/712810255.db2.gz HQHNCXFHXVLFCG-UWVGGRQHSA-N 2 0 239.750 1.970 20 0 BDADRP C[C@@H]1[C@H](N[C@@H]2CC[NH+]3CCC[C@@H]3C2)CC[N@@H+]1C ZINC000719611174 712816786 /nfs/dbraw/zinc/81/67/86/712816786.db2.gz DTGJHFIEKIQCIM-AAVRWANBSA-N 2 0 237.391 1.295 20 0 BDADRP C[C@@H](O)[C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000719824182 712824154 /nfs/dbraw/zinc/82/41/54/712824154.db2.gz ZXMURKDOCKXGSE-RFLLOBDJSA-N 2 0 238.375 1.220 20 0 BDADRP [NH3+][C@H]1CCCCCN(CCc2ccns2)C1 ZINC000719874566 712824343 /nfs/dbraw/zinc/82/43/43/712824343.db2.gz VKIUZXZRJPTSSU-NSHDSACASA-N 2 0 239.388 1.889 20 0 BDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCc1ccns1 ZINC000719846462 712826086 /nfs/dbraw/zinc/82/60/86/712826086.db2.gz PURVMFSMVDEQED-GFCCVEGCSA-N 2 0 241.404 1.991 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)CC[C@@H]1[NH3+] ZINC000720848201 712870459 /nfs/dbraw/zinc/87/04/59/712870459.db2.gz UDVVYUYHFYZERJ-IKOXMDCHSA-N 2 0 238.375 1.613 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)C1 ZINC000720868924 712871889 /nfs/dbraw/zinc/87/18/89/712871889.db2.gz HTPKYNMZRZWLME-CRWXNKLISA-N 2 0 238.375 1.485 20 0 BDADRP [NH3+]C[C@H]1C[N@H+](CC2CC2)C[C@H]1C(F)(F)F ZINC000720872094 712872125 /nfs/dbraw/zinc/87/21/25/712872125.db2.gz OCGDHNWCJSYAQE-DTWKUNHWSA-N 2 0 222.254 1.465 20 0 BDADRP CN1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CC[NH2+]CC1 ZINC000720886668 712874513 /nfs/dbraw/zinc/87/45/13/712874513.db2.gz CNBMIMCWXWIJTN-KBPBESRZSA-N 2 0 237.391 1.155 20 0 BDADRP CCOC(C)(C)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001209077678 957310908 /nfs/dbraw/zinc/31/09/08/957310908.db2.gz NSFLNJVIPSWHBC-TXEJJXNPSA-N 2 0 226.364 1.295 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC000724826616 959799777 /nfs/dbraw/zinc/79/97/77/959799777.db2.gz YBDPNDGXXKDWEA-STQMWFEESA-N 2 0 224.348 1.097 20 0 BDADRP [NH3+]C[C@@H]1CCCC[N@H+](Cc2ccncc2)C1 ZINC000309439860 959875854 /nfs/dbraw/zinc/87/58/54/959875854.db2.gz ZEJBHVYWQXZSLQ-ZDUSSCGKSA-N 2 0 219.332 1.642 20 0 BDADRP Nc1ccc(F)c(NC(=[NH2+])NCCCC[NH3+])c1 ZINC001167881943 961463941 /nfs/dbraw/zinc/46/39/41/961463941.db2.gz NHOUBQBLUQKYKL-UHFFFAOYSA-N 2 0 239.298 1.083 20 0 BDADRP C[C@@]1([NH3+])CC[N@@H+]([C@H]2CCCC3(C2)OCCO3)C1 ZINC000712818206 962984714 /nfs/dbraw/zinc/98/47/14/962984714.db2.gz RDVKWGSQOMPYNJ-NWDGAFQWSA-N 2 0 240.347 1.095 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1nccc2ccsc21 ZINC001159783982 964196256 /nfs/dbraw/zinc/19/62/56/964196256.db2.gz FYXNWLZRORQHMC-SECBINFHSA-N 2 0 236.344 1.732 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1nc(Cl)ccc1Cl ZINC001159785732 964200574 /nfs/dbraw/zinc/20/05/74/964200574.db2.gz SHBWSHHHKRFRHO-MRVPVSSYSA-N 2 0 249.145 1.824 20 0 BDADRP CSc1ccnc(N[C@@H]([NH3+])CCC[NH3+])c1 ZINC001159786458 964200647 /nfs/dbraw/zinc/20/06/47/964200647.db2.gz BAHLLZUOLZLCCN-SECBINFHSA-N 2 0 226.349 1.239 20 0 BDADRP COc1nc(N[C@@H]([NH3+])CCC[NH3+])ccc1Cl ZINC001159786688 964200784 /nfs/dbraw/zinc/20/07/84/964200784.db2.gz HKICZSKXGIGMOX-MRVPVSSYSA-N 2 0 244.726 1.179 20 0 BDADRP CC[C@H](C)[C@@H](CO)[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168294666 964387290 /nfs/dbraw/zinc/38/72/90/964387290.db2.gz ASBCSYNTYGWURL-GFJIZPEISA-N 2 0 242.407 1.856 20 0 BDADRP CSC1(C[NH2+]CC[C@H](C)[NH+](C)C)CC1 ZINC000697868697 964596084 /nfs/dbraw/zinc/59/60/84/964596084.db2.gz CLHZIWXDSRQHMB-JTQLQIEISA-N 2 0 216.394 1.812 20 0 BDADRP C[C@]1([NH2+]C2CC[NH+](CC3CC3)CC2)CCOC1 ZINC001168368938 964887525 /nfs/dbraw/zinc/88/75/25/964887525.db2.gz TWBBMBFOVIYFMJ-AWEZNQCLSA-N 2 0 238.375 1.629 20 0 BDADRP CC[NH+](CC)CCO[C@@H]1CCC[N@H+](CC)C1 ZINC001224928866 965103786 /nfs/dbraw/zinc/10/37/86/965103786.db2.gz XGWSOWJKLZQNED-CYBMUJFWSA-N 2 0 228.380 1.829 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H]2COC[C@@H]2CC)CC1 ZINC000699546787 965964607 /nfs/dbraw/zinc/96/46/07/965964607.db2.gz YFBFQVWRKKHEMG-GXTWGEPZSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@@H]1COC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000699532175 965941758 /nfs/dbraw/zinc/94/17/58/965941758.db2.gz KYJRUOVWQXZHEH-UPJWGTAASA-N 2 0 226.364 1.343 20 0 BDADRP C[C@@]1([NH3+])CCCN(CC[C@H]2CCCC[NH2+]2)C1 ZINC001204939294 967245466 /nfs/dbraw/zinc/24/54/66/967245466.db2.gz QNFJHYHWTIDAQJ-CHWSQXEVSA-N 2 0 225.380 1.332 20 0 BDADRP C[C@H]1CC[N@H+](Cc2cnco2)CC[C@@H]1C[NH3+] ZINC001205627608 967733491 /nfs/dbraw/zinc/73/34/91/967733491.db2.gz RDLHOQYTZBBGRH-WDEREUQCSA-N 2 0 223.320 1.481 20 0 BDADRP C[C@@H]1CC[C@H](CN)[N@H+](CCCCCC[NH3+])C1 ZINC001205807040 967831108 /nfs/dbraw/zinc/83/11/08/967831108.db2.gz XLTLPOXJUAYAIX-CHWSQXEVSA-N 2 0 227.396 1.565 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CCC[C@@H]1C[NH3+] ZINC001205984995 967934574 /nfs/dbraw/zinc/93/45/74/967934574.db2.gz URFOHJMVQLZXGF-UPJWGTAASA-N 2 0 226.364 1.472 20 0 BDADRP C[NH+](C)CCCO[C@@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001206302163 968211432 /nfs/dbraw/zinc/21/14/32/968211432.db2.gz FDVXYXXLJZNEAV-BTTYYORXSA-N 2 0 240.391 1.685 20 0 BDADRP CCCC[C@@H](CC)C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206507053 968347539 /nfs/dbraw/zinc/34/75/39/968347539.db2.gz YPHOMGXKAWJBQP-AGIUHOORSA-N 2 0 228.380 1.454 20 0 BDADRP CC[N@@H+]1C[C@@H]2C[C@H]1CN2CC(C)(C)C[NH+](C)C ZINC001207284159 968715039 /nfs/dbraw/zinc/71/50/39/968715039.db2.gz KRKBYOYMIRAXHT-STQMWFEESA-N 2 0 239.407 1.353 20 0 BDADRP CC(C)[C@@H]1COCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC001207399044 968749466 /nfs/dbraw/zinc/74/94/66/968749466.db2.gz WTPJXKYGWPBWCG-AWEZNQCLSA-N 2 0 240.391 1.685 20 0 BDADRP CC(C)[C@H]1COCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC001207399045 968751989 /nfs/dbraw/zinc/75/19/89/968751989.db2.gz WTPJXKYGWPBWCG-CQSZACIVSA-N 2 0 240.391 1.685 20 0 BDADRP C[N@H+](CCC1CC[NH+](C)CC1)CC1(C)COC1 ZINC001207483109 968799163 /nfs/dbraw/zinc/79/91/63/968799163.db2.gz DEOVJAGKDDPFQG-UHFFFAOYSA-N 2 0 240.391 1.687 20 0 BDADRP C[NH+]1CCC(CC[N@@H+]2CC[C@]23CCOC3)CC1 ZINC001207488951 968802413 /nfs/dbraw/zinc/80/24/13/968802413.db2.gz TZJOWWTZQAUVOX-CQSZACIVSA-N 2 0 238.375 1.583 20 0 BDADRP COC[C@H](C)C[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001207691262 968861846 /nfs/dbraw/zinc/86/18/46/968861846.db2.gz CZNVCFBVHKBOKL-UPJWGTAASA-N 2 0 226.364 1.152 20 0 BDADRP CC[NH+](CC)C[C@H](O)C[N@@H+]1C[C@H](C)CC12CC2 ZINC001253194128 969107026 /nfs/dbraw/zinc/10/70/26/969107026.db2.gz JMCLDAHWNYUONE-OLZOCXBDSA-N 2 0 240.391 1.564 20 0 BDADRP CC[NH+](CC)C[C@@H](O)C[NH2+]C1(CC2CC2)CC1 ZINC001253214054 969114633 /nfs/dbraw/zinc/11/46/33/969114633.db2.gz NFNVDJXSOVDHGK-ZDUSSCGKSA-N 2 0 240.391 1.611 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CC[C@@H](O)C[C@@H]2C)CC1 ZINC001208597072 969146171 /nfs/dbraw/zinc/14/61/71/969146171.db2.gz BSOFBYNSILCIJT-GXTWGEPZSA-N 2 0 240.391 1.564 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CC[C@H](F)C2)CC1 ZINC001208593133 969150128 /nfs/dbraw/zinc/15/01/28/969150128.db2.gz OBPIDKWRJHOLJF-LBPRGKRZSA-N 2 0 214.328 1.762 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2C[C@@H]3C[C@H]2CO3)CC1 ZINC001208597474 969150845 /nfs/dbraw/zinc/15/08/45/969150845.db2.gz HXXNPHVVNSLMTD-STQMWFEESA-N 2 0 224.348 1.191 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@H]2COC)CC1 ZINC001208593512 969152941 /nfs/dbraw/zinc/15/29/41/969152941.db2.gz VHWIESKWOFMXJO-AWEZNQCLSA-N 2 0 240.391 1.829 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CCOC3(CC3)C2)CC1 ZINC001208602792 969155671 /nfs/dbraw/zinc/15/56/71/969155671.db2.gz NEHCOXGARVWLRW-UHFFFAOYSA-N 2 0 238.375 1.583 20 0 BDADRP COC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)C ZINC001169079136 969397279 /nfs/dbraw/zinc/39/72/79/969397279.db2.gz JBVYLZGLLCQPLO-FQUUOJAGSA-N 2 0 240.391 1.872 20 0 BDADRP C[C@@H](CO)CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169109457 969448947 /nfs/dbraw/zinc/44/89/47/969448947.db2.gz IRSHXANFIFOKOE-FVCCEPFGSA-N 2 0 226.364 1.220 20 0 BDADRP CN(CCC[NH+](C)C)CCC[NH+]1CCCCC1 ZINC001209448604 969516407 /nfs/dbraw/zinc/51/64/07/969516407.db2.gz WZLBNEDYJTVWIG-UHFFFAOYSA-N 2 0 241.423 1.746 20 0 BDADRP CCOC(=O)C[C@H](C)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001254499807 969656762 /nfs/dbraw/zinc/65/67/62/969656762.db2.gz AXHIQCHAJBZYFB-RYUDHWBXSA-N 2 0 242.363 1.402 20 0 BDADRP COCC[N@H+](C(C)C)[C@@H]1CCC[NH+](C)CC1 ZINC001254524242 969707812 /nfs/dbraw/zinc/70/78/12/969707812.db2.gz VKQQGLZKWCSMCN-CYBMUJFWSA-N 2 0 228.380 1.828 20 0 BDADRP CN([C@@H]1CC[N@H+](C)C1)[C@H]1CCC[NH+](C)CC1 ZINC001254522586 969704400 /nfs/dbraw/zinc/70/44/00/969704400.db2.gz HLAMNBCSPUGKEG-QWHCGFSZSA-N 2 0 225.380 1.107 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH+]2CCC[C@@H]2CF)CC1 ZINC001254530813 969725030 /nfs/dbraw/zinc/72/50/30/969725030.db2.gz BUFWPDCRDRUVNQ-VXGBXAGGSA-N 2 0 214.328 1.905 20 0 BDADRP CO[C@@H]1CCC[N@@H+]([C@@H]2CCC[NH+](C)CC2)CC1 ZINC001254525800 969722993 /nfs/dbraw/zinc/72/29/93/969722993.db2.gz MFLLZWVNNKMTPC-ZIAGYGMSSA-N 2 0 240.391 1.972 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+][C@H]1C[C@H](CO)C1 ZINC001255942065 970574886 /nfs/dbraw/zinc/57/48/86/970574886.db2.gz BTZLDEIDDZQBCT-AVGNSLFASA-N 2 0 228.380 1.467 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]C[C@@H](C)CO ZINC001255942261 970574942 /nfs/dbraw/zinc/57/49/42/970574942.db2.gz DXKUVHUAXIYTJV-NEPJUHHUSA-N 2 0 216.369 1.325 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N[C@@H]1CCC[N@H+](C)C1 ZINC001255944600 970575975 /nfs/dbraw/zinc/57/59/75/970575975.db2.gz WCZOMSHZADHLST-ZIAGYGMSSA-N 2 0 241.423 1.791 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](CO)C1CC1 ZINC001255951042 970580618 /nfs/dbraw/zinc/58/06/18/970580618.db2.gz MASLLZBCAIHTLO-AAEUAGOBSA-N 2 0 228.380 1.467 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]C[C@H]1C[C@@H](O)C1 ZINC001255946337 970583053 /nfs/dbraw/zinc/58/30/53/970583053.db2.gz SLLGWNDVBIVSOK-RWMBFGLXSA-N 2 0 228.380 1.467 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC[C@H](CO)C1 ZINC001255954783 970589428 /nfs/dbraw/zinc/58/94/28/970589428.db2.gz HZIWPJQBRBHNGM-KGLIPLIRSA-N 2 0 242.407 1.811 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC001255955569 970588984 /nfs/dbraw/zinc/58/89/84/970588984.db2.gz BTLCRPHLEGCEBO-RDBSUJKOSA-N 2 0 242.407 1.810 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC[C@@H](O)CC1 ZINC001255956033 970598435 /nfs/dbraw/zinc/59/84/35/970598435.db2.gz GBFKHZTWRLHYJE-ZIAGYGMSSA-N 2 0 242.407 1.954 20 0 BDADRP CC[NH+](CC)C1CCC([NH2+][C@@H](C)CCO)CC1 ZINC001173101626 975023418 /nfs/dbraw/zinc/02/34/18/975023418.db2.gz LSHFAFFTJVVTAA-HSBZDZAISA-N 2 0 242.407 2.000 20 0 BDADRP CC[NH+](CC)C1CCC([NH2+]C2CC(O)C2)CC1 ZINC001173106348 975025717 /nfs/dbraw/zinc/02/57/17/975025717.db2.gz UOJYICKZKJEKHI-UHFFFAOYSA-N 2 0 240.391 1.752 20 0 BDADRP CC[N@@H+]1CC[C@H](N(CCC[NH3+])C(C)C)C1 ZINC001173350624 975294142 /nfs/dbraw/zinc/29/41/42/975294142.db2.gz QYQLRHZDKDPXSC-LBPRGKRZSA-N 2 0 213.369 1.140 20 0 BDADRP CCN1CC[C@H]([N@H+](C)CC2CC[NH+](C)CC2)C1 ZINC001173360665 975331532 /nfs/dbraw/zinc/33/15/32/975331532.db2.gz DLXROOCNZYLXKC-AWEZNQCLSA-N 2 0 239.407 1.354 20 0 BDADRP CCN([C@@H]1CC[N@H+](CC)C1)C1CC[NH+](C)CC1 ZINC001173363608 975335496 /nfs/dbraw/zinc/33/54/96/975335496.db2.gz PGRAIIYWVQZBHL-CQSZACIVSA-N 2 0 239.407 1.497 20 0 BDADRP CC[N@@H+]1CC[C@H](N2CCC3(C[NH+](C)C3)CC2)C1 ZINC001173367368 975349546 /nfs/dbraw/zinc/34/95/46/975349546.db2.gz GWIZTZAURKNSTA-ZDUSSCGKSA-N 2 0 237.391 1.108 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC001206295663 978299669 /nfs/dbraw/zinc/29/96/69/978299669.db2.gz MVGFZMGMTXCDMI-OLZOCXBDSA-N 2 0 226.364 1.616 20 0 BDADRP C[C@@H]([NH2+]CCN1CCCC1(C)C)[C@H](C)O ZINC001338522082 978702835 /nfs/dbraw/zinc/70/28/35/978702835.db2.gz SJUFGNIKEZVGOS-MNOVXSKESA-N 2 0 214.353 1.220 20 0 BDADRP C(CN1CCCC2(C[NH2+]C2)C1)[C@H]1CCCC[NH2+]1 ZINC001235710827 979129045 /nfs/dbraw/zinc/12/90/45/979129045.db2.gz GVULKIOBTXYIGL-CYBMUJFWSA-N 2 0 237.391 1.204 20 0 BDADRP CC[C@H]([NH3+])CN(CC[NH3+])Cc1ccccc1 ZINC001236520967 979615463 /nfs/dbraw/zinc/61/54/63/979615463.db2.gz HCNDZIBYFROEIH-ZDUSSCGKSA-N 2 0 221.348 1.185 20 0 BDADRP CC[NH2+]CCN(C1CCC1)C1CC[NH2+]CC1 ZINC001236633979 979683814 /nfs/dbraw/zinc/68/38/14/979683814.db2.gz NKRMIRVEIWWECU-UHFFFAOYSA-N 2 0 225.380 1.202 20 0 BDADRP CC[C@@H](C(=O)Nc1ccccc1C[NH3+])[NH+](C)C ZINC001342339806 979777166 /nfs/dbraw/zinc/77/71/66/979777166.db2.gz HSNQCJSWQNENPF-LBPRGKRZSA-N 2 0 235.331 1.424 20 0 BDADRP C[C@H]([NH3+])CN1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236950133 979795792 /nfs/dbraw/zinc/79/57/92/979795792.db2.gz ZMQRZMNJWCQQIJ-LBPRGKRZSA-N 2 0 239.407 1.435 20 0 BDADRP C[C@@H]([NH3+])CN1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236950132 979796743 /nfs/dbraw/zinc/79/67/43/979796743.db2.gz ZMQRZMNJWCQQIJ-GFCCVEGCSA-N 2 0 239.407 1.435 20 0 BDADRP COC(=O)[C@@H]1CCC[N@H+](CCCC[NH3+])CC1 ZINC001237057586 979811239 /nfs/dbraw/zinc/81/12/39/979811239.db2.gz NUGWIZMRYYGOLX-LLVKDONJSA-N 2 0 228.336 1.000 20 0 BDADRP [NH3+]CC1(Cc2cccc(F)c2)CC[NH2+]CC1 ZINC001239323754 980533811 /nfs/dbraw/zinc/53/38/11/980533811.db2.gz IIECHESMAWDRDE-UHFFFAOYSA-N 2 0 222.307 1.697 20 0 BDADRP C[NH2+][C@@H](C)CC[NH2+][C@H](COC)C1CCCC1 ZINC001345482162 980618676 /nfs/dbraw/zinc/61/86/76/980618676.db2.gz KSPPGHHKVNMBKQ-WCQYABFASA-N 2 0 228.380 1.779 20 0 BDADRP C[NH2+][C@@H](C)CC[NH2+]Cc1ccncc1C ZINC001351680381 982358425 /nfs/dbraw/zinc/35/84/25/982358425.db2.gz WTQSMGHBJPCPRB-NSHDSACASA-N 2 0 207.321 1.478 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH3+])N(C[C@@H]2CCC[NH2+]C2)C1 ZINC001205805073 982567386 /nfs/dbraw/zinc/56/73/86/982567386.db2.gz PYVREHPSNUHMMW-UPJWGTAASA-N 2 0 225.380 1.045 20 0 BDADRP Cc1[nH]c2ccc(NCC[NH+](C)C)cc2[nH+]1 ZINC000082597455 983103609 /nfs/dbraw/zinc/10/36/09/983103609.db2.gz IEURUDIXJMHVBW-UHFFFAOYSA-N 2 0 218.304 1.845 20 0 BDADRP CCCC[C@@H](O)C[NH2+]CCC[NH+]1CCCC1 ZINC001252078497 983307104 /nfs/dbraw/zinc/30/71/04/983307104.db2.gz SJURHQHLFNPSHE-CYBMUJFWSA-N 2 0 228.380 1.613 20 0 BDADRP CC[N@H+]1C[C@@H]2C[NH+](CCCSC)C[C@@H]2C1 ZINC001201698023 983413864 /nfs/dbraw/zinc/41/38/64/983413864.db2.gz VBFKJMHPTIRFDV-TXEJJXNPSA-N 2 0 228.405 1.623 20 0 BDADRP [NH3+]CC1CCC([NH2+][C@@H]2COC[C@H]2C2CC2)CC1 ZINC001356050368 983563319 /nfs/dbraw/zinc/56/33/19/983563319.db2.gz YTHMWERRRNMWIL-AKUTZHFWSA-N 2 0 238.375 1.519 20 0 BDADRP CC(C)C[C@@H]([NH3+])CC(=O)N[C@H](C)CC[NH+](C)C ZINC001357377339 983702402 /nfs/dbraw/zinc/70/24/02/983702402.db2.gz WZEBPABGJOKQRX-VXGBXAGGSA-N 2 0 243.395 1.206 20 0 BDADRP CCC[C@H](O)C[NH2+]CC1CC[NH+](C(C)C)CC1 ZINC001252799693 983895384 /nfs/dbraw/zinc/89/53/84/983895384.db2.gz XSFMFZBNBRMGOP-AWEZNQCLSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]CC(C)(C)F ZINC001575932719 984137871 /nfs/dbraw/zinc/13/78/71/984137871.db2.gz BUAGHOUHXLQFJE-UWVGGRQHSA-N 2 0 202.317 1.855 20 0 BDADRP CCOCC[C@H](C)[NH+]1CCC(C)([NH3+])CC1 ZINC001172418906 974691118 /nfs/dbraw/zinc/69/11/18/974691118.db2.gz HQQBHYSMSLCWPO-NSHDSACASA-N 2 0 214.353 1.615 20 0 BDADRP Cc1cccnc1C[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222532550 972551684 /nfs/dbraw/zinc/55/16/84/972551684.db2.gz NDHDYILIUJHPFB-UHFFFAOYSA-N 2 0 237.322 1.653 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCCC[C@@](C)(O)C2)CC[NH2+]1 ZINC001246548270 972681708 /nfs/dbraw/zinc/68/17/08/972681708.db2.gz JYPVBDCPYCPAND-JHJVBQTASA-N 2 0 226.364 1.364 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2C[C@@H](C)[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC001246822621 973120580 /nfs/dbraw/zinc/12/05/80/973120580.db2.gz BRWMRJLLAHPAQN-RQJABVFESA-N 2 0 239.407 1.445 20 0 BDADRP CC[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCCOC1 ZINC000402579633 970804856 /nfs/dbraw/zinc/80/48/56/970804856.db2.gz BZKGTQMFYLHWNF-FRRDWIJNSA-N 2 0 226.364 1.615 20 0 BDADRP C[N@H+]([C@@H]1CCOC1)C1CC[NH+](C(C)(C)C)CC1 ZINC001256574158 970868003 /nfs/dbraw/zinc/86/80/03/970868003.db2.gz UZORNGPDDZTNMF-CYBMUJFWSA-N 2 0 240.391 1.970 20 0 BDADRP [NH2+]=CNC1CC[NH+](Cc2ccncc2)CC1 ZINC001256579616 970866217 /nfs/dbraw/zinc/86/62/17/970866217.db2.gz AEGSRABXEDKOCU-UHFFFAOYSA-N 2 0 218.304 1.243 20 0 BDADRP [NH2+]=CNC1CC[NH+](Cc2ccccc2)CC1 ZINC001256598006 970869749 /nfs/dbraw/zinc/86/97/49/970869749.db2.gz DUPGWRVADKFVEI-UHFFFAOYSA-N 2 0 217.316 1.848 20 0 BDADRP C[C@@H]([NH3+])c1nccn1C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256612438 970879121 /nfs/dbraw/zinc/87/91/21/970879121.db2.gz GGHLZEQTCVLAKE-YIBTVLSRSA-N 2 0 234.347 1.701 20 0 BDADRP CC[C@@H](C)C[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC000403216711 970892094 /nfs/dbraw/zinc/89/20/94/970892094.db2.gz GUHCHZMXIDPGAF-NXEZZACHSA-N 2 0 220.307 1.948 20 0 BDADRP C1[C@H]2CC[C@@H]([NH2+][C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)C[C@@H]12 ZINC000403359925 970917502 /nfs/dbraw/zinc/91/75/02/970917502.db2.gz HIMGUIXIMFZBSA-MHUBZUKDSA-N 2 0 232.371 1.761 20 0 BDADRP F[C@@H]1C[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001256849833 970997327 /nfs/dbraw/zinc/99/73/27/970997327.db2.gz NJHRQRINRZHJKW-CHWSQXEVSA-N 2 0 235.306 1.750 20 0 BDADRP CC(C)(CN)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001256848607 970999175 /nfs/dbraw/zinc/99/91/75/970999175.db2.gz CMLSEFJEHCSEAL-UHFFFAOYSA-N 2 0 248.374 1.377 20 0 BDADRP CCC1CCC([NH2+]CCC[N@H+](C)CCO)CC1 ZINC001256870280 971004666 /nfs/dbraw/zinc/00/46/66/971004666.db2.gz SXJRWTXWSDODET-UHFFFAOYSA-N 2 0 242.407 1.859 20 0 BDADRP [NH3+]Cc1nccn1[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256894220 971010219 /nfs/dbraw/zinc/01/02/19/971010219.db2.gz FVTLVOTTZODGKP-CYBMUJFWSA-N 2 0 248.374 1.921 20 0 BDADRP CC(C)[NH+]1CCC([N@@H+]2CC[C@@H](O)[C@H](C)C2)CC1 ZINC001257214344 971128949 /nfs/dbraw/zinc/12/89/49/971128949.db2.gz BRYZUXBJYIHLOH-TZMCWYRMSA-N 2 0 240.391 1.562 20 0 BDADRP CCC[C@@H](C)[NH2+]C[C@H]1O[C@H](C(C)C)O[C@@H]1C[NH3+] ZINC001257309764 971203493 /nfs/dbraw/zinc/20/34/93/971203493.db2.gz YBDBSIDUEBYQRS-FDYHWXHSSA-N 2 0 244.379 1.489 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CCO1 ZINC000405234496 971213275 /nfs/dbraw/zinc/21/32/75/971213275.db2.gz CUMANJRASROGKO-NDBYEHHHSA-N 2 0 238.375 1.661 20 0 BDADRP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405221525 971216694 /nfs/dbraw/zinc/21/66/94/971216694.db2.gz MULJQRRWGFOGCV-FIQHERPVSA-N 2 0 226.364 1.253 20 0 BDADRP CC[N@@H+]1CC[C@H](CN[C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000405242437 971219919 /nfs/dbraw/zinc/21/99/19/971219919.db2.gz WXCRCUUJACJLQT-UPJWGTAASA-N 2 0 237.391 1.188 20 0 BDADRP CC(C)[N@H+](C)CCCN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405247288 971221102 /nfs/dbraw/zinc/22/11/02/971221102.db2.gz DGJVOYGMPNQOOX-QWHCGFSZSA-N 2 0 239.407 1.576 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2ccco2)C12CCC2 ZINC000405259768 971222663 /nfs/dbraw/zinc/22/26/63/971222663.db2.gz IIIFNZMLTFNVLP-VXGBXAGGSA-N 2 0 220.316 1.682 20 0 BDADRP CO[C@@H]([C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)C1CC1 ZINC000405284907 971226945 /nfs/dbraw/zinc/22/69/45/971226945.db2.gz VMQFKVUBCGFIFF-BQUFFADESA-N 2 0 238.375 1.659 20 0 BDADRP CSCCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405301617 971229862 /nfs/dbraw/zinc/22/98/62/971229862.db2.gz IUWZKOIQAUYDLV-ZJUUUORDSA-N 2 0 214.378 1.599 20 0 BDADRP CC(C)SCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405313016 971231230 /nfs/dbraw/zinc/23/12/30/971231230.db2.gz PULOIZGVCFUOBG-GHMZBOCLSA-N 2 0 228.405 1.988 20 0 BDADRP C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405310585 971233128 /nfs/dbraw/zinc/23/31/28/971233128.db2.gz OOWLPOCRPBWCPL-UKKRHICBSA-N 2 0 226.389 1.740 20 0 BDADRP CCCC(CCC)[NH2+]C[C@@H](C[NH3+])C(=O)OC ZINC001257329612 971234957 /nfs/dbraw/zinc/23/49/57/971234957.db2.gz BVSAVIIBSGNCAH-SNVBAGLBSA-N 2 0 230.352 1.293 20 0 BDADRP CCCC(CCC)NC(=[NH2+])NCCCC[NH3+] ZINC001257329738 971236276 /nfs/dbraw/zinc/23/62/76/971236276.db2.gz KCFINQUOJJGALJ-UHFFFAOYSA-N 2 0 228.384 1.808 20 0 BDADRP C[NH+](C)Cc1ccccc1N1CC2(C1)C[NH+](C)C2 ZINC001277004876 974031783 /nfs/dbraw/zinc/03/17/83/974031783.db2.gz WUPVJCPNQQSDOZ-UHFFFAOYSA-N 2 0 245.370 1.500 20 0 BDADRP CSC1(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000405330326 971236864 /nfs/dbraw/zinc/23/68/64/971236864.db2.gz ZEXQVOALNTWPGK-NXEZZACHSA-N 2 0 226.389 1.742 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)C12CCC2 ZINC000405343294 971237016 /nfs/dbraw/zinc/23/70/16/971237016.db2.gz FAECMXYINUOMID-ROHXPCBUSA-N 2 0 206.333 1.644 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405368360 971240411 /nfs/dbraw/zinc/24/04/11/971240411.db2.gz XQZRBCIQSDMAEM-AGIUHOORSA-N 2 0 240.391 1.643 20 0 BDADRP CC1(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CCOCC1 ZINC000405367559 971242870 /nfs/dbraw/zinc/24/28/70/971242870.db2.gz XINLUHDZRWUDHI-VXGBXAGGSA-N 2 0 238.375 1.663 20 0 BDADRP CC(C)CCOCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405343689 971243070 /nfs/dbraw/zinc/24/30/70/971243070.db2.gz JPQVVFLNGSOHEP-CHWSQXEVSA-N 2 0 240.391 1.909 20 0 BDADRP CC(C)(C)C[C@H](O)C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405348639 971243864 /nfs/dbraw/zinc/24/38/64/971243864.db2.gz MNIQCELYOZZYKI-SRVKXCTJSA-N 2 0 240.391 1.643 20 0 BDADRP CSCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405395435 971247478 /nfs/dbraw/zinc/24/74/78/971247478.db2.gz IFUGMXRZGVKPSN-RKDXNWHRSA-N 2 0 200.351 1.209 20 0 BDADRP CC[C@H](CCO)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405370603 971247036 /nfs/dbraw/zinc/24/70/36/971247036.db2.gz YVVJYIYRCBDJRZ-GMTAPVOTSA-N 2 0 212.337 1.007 20 0 BDADRP COCC(C)(C)C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405440914 971251636 /nfs/dbraw/zinc/25/16/36/971251636.db2.gz VNYUPGQVZXFNNB-WDEREUQCSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@H](CC[NH+](C)C)N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405416442 971253173 /nfs/dbraw/zinc/25/31/73/971253173.db2.gz OMUOUJMRMOFALP-IJLUTSLNSA-N 2 0 225.380 1.186 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@H]2O)C12CCC2 ZINC000405457026 971258606 /nfs/dbraw/zinc/25/86/06/971258606.db2.gz YZFLTSFHUVTPPV-QCNOEVLYSA-N 2 0 224.348 1.007 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](O)C2CCC2)C12CCC2 ZINC000405451322 971258969 /nfs/dbraw/zinc/25/89/69/971258969.db2.gz GQUZGEBJLIPHQK-TUAOUCFPSA-N 2 0 224.348 1.007 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CCO1 ZINC000405453811 971261686 /nfs/dbraw/zinc/26/16/86/971261686.db2.gz YEYVMJYNUPINQS-DDHJBXDOSA-N 2 0 224.348 1.413 20 0 BDADRP [NH3+][C@@H]1C[C@@H](N[C@@H]2CC[N@@H+](C3CC3)C2)C12CCC2 ZINC000405483154 971265163 /nfs/dbraw/zinc/26/51/63/971265163.db2.gz NLNHPKNTGXLEIM-RAIGVLPGSA-N 2 0 235.375 1.083 20 0 BDADRP Cc1ccc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)cn1 ZINC000405677918 971288953 /nfs/dbraw/zinc/28/89/53/971288953.db2.gz SLYLYAFTGHWYGY-GFCCVEGCSA-N 2 0 219.332 1.561 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CO[C@@H](C)[C@@H]2C)C1 ZINC000405694492 971294341 /nfs/dbraw/zinc/29/43/41/971294341.db2.gz XPCINSWCSVVHGF-WUHRBBMRSA-N 2 0 226.364 1.341 20 0 BDADRP CCCC[C@@H](CC)[NH2+]CCN(C)CC[NH3+] ZINC001257413472 971308161 /nfs/dbraw/zinc/30/81/61/971308161.db2.gz WYNCTWAMVAMARV-GFCCVEGCSA-N 2 0 215.385 1.435 20 0 BDADRP CC[NH+](CC)CCOCC[N@@H+]1CC[C@@H](OC)C1 ZINC001224929468 974077350 /nfs/dbraw/zinc/07/73/50/974077350.db2.gz AKNVNWRCQFYNGD-CYBMUJFWSA-N 2 0 244.379 1.066 20 0 BDADRP C1[NH2+]CC12C[NH2+]C[C@H]2c1nnc(C2CCCC2)o1 ZINC001217704658 971346880 /nfs/dbraw/zinc/34/68/80/971346880.db2.gz WNZUGWNOZHCWBB-JTQLQIEISA-N 2 0 248.330 1.004 20 0 BDADRP C[NH2+][C@H]1C[C@H](OCCC[C@H]2CCC[NH2+]C2)C1 ZINC001217763144 971390613 /nfs/dbraw/zinc/39/06/13/971390613.db2.gz IXLMZOJHJLPXCG-JHJVBQTASA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H]1OCCC[C@@H]1CCC[NH2+]C1 ZINC001217769792 971396899 /nfs/dbraw/zinc/39/68/99/971396899.db2.gz ZAZHFFKQTADBOD-AGIUHOORSA-N 2 0 226.364 1.391 20 0 BDADRP CC(C)(C[NH3+])CO[C@@H]1C[NH2+]CCC[C@H]1F ZINC001217774241 971397636 /nfs/dbraw/zinc/39/76/36/971397636.db2.gz OLZYVZRJEYUKOR-NXEZZACHSA-N 2 0 218.316 1.078 20 0 BDADRP CC(C)[C@H]([NH3+])CO[C@@H]1C[NH2+]CCC[C@@H]1F ZINC001217776562 971399722 /nfs/dbraw/zinc/39/97/22/971399722.db2.gz YDDGBHOSWDJCCL-HBNTYKKESA-N 2 0 218.316 1.076 20 0 BDADRP C[C@@H]1C[NH2+]CCC[C@H]1OCCC1CC[NH2+]CC1 ZINC001217778803 971401375 /nfs/dbraw/zinc/40/13/75/971401375.db2.gz LRVATCDTRLIIQA-TZMCWYRMSA-N 2 0 240.391 1.781 20 0 BDADRP C[C@@H](CCO)[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171619495 974116467 /nfs/dbraw/zinc/11/64/67/974116467.db2.gz MTJWVRYBTMOHJW-NSHDSACASA-N 2 0 242.407 1.998 20 0 BDADRP C(O[C@@H]1CC[C@@H]2CCC[C@H]1[NH2+]2)[C@@H]1CCC[NH2+]C1 ZINC001217819937 971418310 /nfs/dbraw/zinc/41/83/10/971418310.db2.gz HIOHHAKFXOIOID-XJFOESAGSA-N 2 0 238.375 1.676 20 0 BDADRP CCCCC[C@H](C)NC(=[NH2+])N1CCN(C)CC1 ZINC001257501562 971419380 /nfs/dbraw/zinc/41/93/80/971419380.db2.gz CAGVELVAZYTPDJ-LBPRGKRZSA-N 2 0 240.395 1.727 20 0 BDADRP C(CO[C@H]1CC[NH2+]C1)C[C@H]1CCC[NH2+]C1 ZINC001217822626 971420490 /nfs/dbraw/zinc/42/04/90/971420490.db2.gz MVNSWYJEJHZPQV-NEPJUHHUSA-N 2 0 212.337 1.145 20 0 BDADRP C(OC1CC2(C1)CCC[NH2+]C2)[C@H]1CCC[NH2+]C1 ZINC001217849511 971439423 /nfs/dbraw/zinc/43/94/23/971439423.db2.gz VMBKEWVCQUXQGF-HSBZDZAISA-N 2 0 238.375 1.535 20 0 BDADRP C(O[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CCC[NH2+]C1 ZINC001217858806 971452454 /nfs/dbraw/zinc/45/24/54/971452454.db2.gz WFTIPHYQKLDNJI-DGCLKSJQSA-N 2 0 224.348 1.097 20 0 BDADRP C1=C[C@@H](OCCC[C@H]2CCC[NH2+]C2)C[NH2+]C1 ZINC001217883156 971480255 /nfs/dbraw/zinc/48/02/55/971480255.db2.gz QCGUKYRPICJOPQ-CHWSQXEVSA-N 2 0 224.348 1.311 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCCSC3)C2)C1 ZINC001257681002 971485256 /nfs/dbraw/zinc/48/52/56/971485256.db2.gz MZGXSWZKNZZMMA-CHWSQXEVSA-N 2 0 240.416 1.910 20 0 BDADRP C(CC1CC[NH2+]CC1)O[C@@H]1[C@@H]2CC[C@H]1[NH2+]C2 ZINC001217925136 971530640 /nfs/dbraw/zinc/53/06/40/971530640.db2.gz PMDQLIPCMKCDTD-JHJVBQTASA-N 2 0 224.348 1.143 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C2CCC3(COC3)CC2)C1 ZINC001257896310 971530736 /nfs/dbraw/zinc/53/07/36/971530736.db2.gz SJFKXMCGPBFLLH-WCQYABFASA-N 2 0 238.375 1.805 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]C1CCC2(COC2)CC1 ZINC001257900638 971535405 /nfs/dbraw/zinc/53/54/05/971535405.db2.gz GVOBPJYXVRPAMK-SNVBAGLBSA-N 2 0 212.337 1.130 20 0 BDADRP CC1(C)C[C@H](OCCC2CC[NH2+]CC2)CC[NH2+]1 ZINC001217936001 971538752 /nfs/dbraw/zinc/53/87/52/971538752.db2.gz CCXUQTUHTUWVRT-CYBMUJFWSA-N 2 0 240.391 1.923 20 0 BDADRP c1cc2c(cc1O[C@@H]1CCCC[NH2+]C1)CC[NH2+]C2 ZINC001217967498 971552753 /nfs/dbraw/zinc/55/27/53/971552753.db2.gz BACTZHUXVUNUMH-OAHLLOKOSA-N 2 0 246.354 1.853 20 0 BDADRP [NH3+]Cc1cccc(O[C@H]2C[NH2+]CCC[C@H]2F)c1 ZINC001217982379 971558243 /nfs/dbraw/zinc/55/82/43/971558243.db2.gz SKPUNBIPCLSMRD-OLZOCXBDSA-N 2 0 238.306 1.614 20 0 BDADRP C[C@@H]1C[NH2+]CCC[C@@H]1Oc1ccc(CC[NH3+])cc1 ZINC001217989036 971562117 /nfs/dbraw/zinc/56/21/17/971562117.db2.gz RRXDXSKWWWRXSA-DOMZBBRYSA-N 2 0 248.370 1.955 20 0 BDADRP C[C@@H]1C[NH2+]CCC[C@@H]1Oc1ccccc1C[NH3+] ZINC001217994037 971563224 /nfs/dbraw/zinc/56/32/24/971563224.db2.gz YGSARDIGNCIXLB-YPMHNXCESA-N 2 0 234.343 1.912 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1Oc1cccc(C[NH3+])c1 ZINC001218043810 971586656 /nfs/dbraw/zinc/58/66/56/971586656.db2.gz MUSLFXPCZMFBCL-ZWNOBZJWSA-N 2 0 220.316 1.522 20 0 BDADRP C[C@@H]1C[C@@H](Oc2cccc(C[NH3+])c2)CC[NH2+]1 ZINC001218063524 971593566 /nfs/dbraw/zinc/59/35/66/971593566.db2.gz YZJQLAGWIFGHDD-MFKMUULPSA-N 2 0 220.316 1.665 20 0 BDADRP [NH3+]Cc1ccc(O[C@@H]2CC[C@@]23CC[NH2+]C3)cc1 ZINC001218125871 971604350 /nfs/dbraw/zinc/60/43/50/971604350.db2.gz XVDVMQAMYPBSQK-KGLIPLIRSA-N 2 0 232.327 1.666 20 0 BDADRP [NH3+]Cc1cccc(O[C@H]2CCO[C@@]23CC[NH2+]C3)c1 ZINC001218139497 971605120 /nfs/dbraw/zinc/60/51/20/971605120.db2.gz VYXNZQQKVZUQRT-UONOGXRCSA-N 2 0 248.326 1.045 20 0 BDADRP c1cc2c(c(O[C@H]3C[C@H]4C[C@@H]3C[NH2+]4)c1)CC[NH2+]C2 ZINC001218142879 971607507 /nfs/dbraw/zinc/60/75/07/971607507.db2.gz YORGGXBOUIKWSO-JMSVASOKSA-N 2 0 244.338 1.462 20 0 BDADRP c1cc2c(cc1O[C@H]1CCC13C[NH2+]C3)CC[NH2+]C2 ZINC001218241823 971645600 /nfs/dbraw/zinc/64/56/00/971645600.db2.gz VKJNNVLNNQHGSC-AWEZNQCLSA-N 2 0 244.338 1.463 20 0 BDADRP Nc1[nH]c2ccc(O[C@H]3CCC[NH2+]C3)cc2[nH+]1 ZINC001218285309 971678284 /nfs/dbraw/zinc/67/82/84/971678284.db2.gz JKXNNMNUMBUULG-VIFPVBQESA-N 2 0 232.287 1.276 20 0 BDADRP C[C@H]1[NH2+]C[C@@H]1Oc1ccc2c(c1)CC[NH2+]C2 ZINC001218381351 971758750 /nfs/dbraw/zinc/75/87/50/971758750.db2.gz DONMTMYDGZPXQU-RNCFNFMXSA-N 2 0 218.300 1.071 20 0 BDADRP C[C@@H]1CC[C@@H](Oc2ccc(C[NH3+])cc2)C[NH2+]1 ZINC001218406937 971778701 /nfs/dbraw/zinc/77/87/01/971778701.db2.gz KKHJXHCSFZQNBR-ZWNOBZJWSA-N 2 0 220.316 1.665 20 0 BDADRP C[C@H]1C[NH2+]CC[C@H]1Oc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC001218415172 971787657 /nfs/dbraw/zinc/78/76/57/971787657.db2.gz AYQHDWMOWOMPRN-BSLXNSKLSA-N 2 0 246.354 1.878 20 0 BDADRP c1cc2c(cc1O[C@@H]1[C@@H]3CC[C@H]1[NH2+]C3)CC[NH2+]C2 ZINC001218443003 971819578 /nfs/dbraw/zinc/81/95/78/971819578.db2.gz VPXHQDZRMMYOKW-BPLDGKMQSA-N 2 0 244.338 1.462 20 0 BDADRP [NH3+]Cc1ccc(O[C@@H]2CC[C@@H]3C[NH2+]C[C@H]23)cc1 ZINC001218469844 971826078 /nfs/dbraw/zinc/82/60/78/971826078.db2.gz YJFYWTZNHAGPGA-KWCYVHTRSA-N 2 0 232.327 1.522 20 0 BDADRP C[C@H](C[NH3+])C[N@H+](C)[C@@H]1CCCOCC1 ZINC001170792821 971831521 /nfs/dbraw/zinc/83/15/21/971831521.db2.gz TXSNANOTDBPMGD-GHMZBOCLSA-N 2 0 200.326 1.082 20 0 BDADRP [NH3+]Cc1ccccc1C[NH2+][C@@H]1CCCOCC1 ZINC001170792804 971835366 /nfs/dbraw/zinc/83/53/66/971835366.db2.gz SOGJQESTFWAUEC-CQSZACIVSA-N 2 0 234.343 1.804 20 0 BDADRP [NH3+]Cc1ccccc1C[NH2+][C@H]1CCCOCC1 ZINC001170792803 971835653 /nfs/dbraw/zinc/83/56/53/971835653.db2.gz SOGJQESTFWAUEC-AWEZNQCLSA-N 2 0 234.343 1.804 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])C(=O)Nc1ccc2[nH]ccc2c1 ZINC001218807182 971943335 /nfs/dbraw/zinc/94/33/35/971943335.db2.gz PRPKVGIUCMFLHB-LLVKDONJSA-N 2 0 246.314 1.173 20 0 BDADRP Cc1cc(CN2CC[C@@H]([NH3+])[C@H]2C)cc(C)c1O ZINC000310287477 971964962 /nfs/dbraw/zinc/96/49/62/971964962.db2.gz MRIUTHJSPDXYAI-DGCLKSJQSA-N 2 0 234.343 1.931 20 0 BDADRP C[C@@H](C[NH3+])C(=O)Nc1ccc([C@H]2CC[NH2+]C2)cc1 ZINC001218998040 971972323 /nfs/dbraw/zinc/97/23/23/971972323.db2.gz XXXVHISVYFJQQO-JQWIXIFHSA-N 2 0 247.342 1.297 20 0 BDADRP C[NH2+]CCC(=O)Nc1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC001218998010 971971636 /nfs/dbraw/zinc/97/16/36/971971636.db2.gz XMYHFDBSDKGPPW-GFCCVEGCSA-N 2 0 247.342 1.312 20 0 BDADRP CC(C)C(C)(C)C[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000310436311 971974409 /nfs/dbraw/zinc/97/44/09/971974409.db2.gz UPSLHCQDTMYBPT-ZDUSSCGKSA-N 2 0 242.407 1.713 20 0 BDADRP CC[C@]([NH3+])(CO)Nc1ccc([C@H](C)[NH3+])cc1 ZINC001170864796 971992904 /nfs/dbraw/zinc/99/29/04/971992904.db2.gz WXUTVMUZQYKOOF-JOYOIKCWSA-N 2 0 223.320 1.176 20 0 BDADRP CC[C@]([NH3+])(CO)Nc1cccc2c1CC[C@@H]2[NH3+] ZINC001170866787 972003090 /nfs/dbraw/zinc/00/30/90/972003090.db2.gz YXGWHYKHJXRIPF-WCQYABFASA-N 2 0 235.331 1.102 20 0 BDADRP C[C@@H]([NH3+])CCNc1[nH+]ccc2c1CCN2 ZINC001170889609 972039156 /nfs/dbraw/zinc/03/91/56/972039156.db2.gz RXVPQTJPPIYCFB-MRVPVSSYSA-N 2 0 206.293 1.199 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ncc2sccc2n1 ZINC001170895396 972051338 /nfs/dbraw/zinc/05/13/38/972051338.db2.gz SNVPBGZXUMRURK-SECBINFHSA-N 2 0 237.332 1.127 20 0 BDADRP CCc1cnc(Cl)nc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170898463 972057073 /nfs/dbraw/zinc/05/70/73/972057073.db2.gz OCRYREJUMZCLSV-MRVPVSSYSA-N 2 0 243.742 1.128 20 0 BDADRP Cc1c(Cl)ncc(F)c1N[C@H]([NH3+])CCC[NH3+] ZINC001170898548 972057649 /nfs/dbraw/zinc/05/76/49/972057649.db2.gz DNHRRSYVNSFTOR-QMMMGPOBSA-N 2 0 246.717 1.618 20 0 BDADRP Cc1c2cc[nH]c2ncc1N[C@H]([NH3+])CCC[NH3+] ZINC001170898590 972060076 /nfs/dbraw/zinc/06/00/76/972060076.db2.gz FLQVMSIFJLQAGR-NSHDSACASA-N 2 0 233.319 1.259 20 0 BDADRP Cn1ccc2ccnc(N[C@@H]([NH3+])CCC[NH3+])c21 ZINC001170899187 972062133 /nfs/dbraw/zinc/06/21/33/972062133.db2.gz YDXGVLNZPHQAJB-SNVBAGLBSA-N 2 0 233.319 1.009 20 0 BDADRP CC(C)Oc1cc(N[C@@H]([NH3+])CCC[NH3+])ccn1 ZINC001170899009 972060992 /nfs/dbraw/zinc/06/09/92/972060992.db2.gz GOWWOURTEYURGL-LLVKDONJSA-N 2 0 238.335 1.304 20 0 BDADRP Cc1ccc(C)c(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001170899941 972063168 /nfs/dbraw/zinc/06/31/68/972063168.db2.gz YYAWWSRODGVXTB-SNVBAGLBSA-N 2 0 208.309 1.134 20 0 BDADRP CC(C)Oc1ccc(N[C@H]([NH3+])CCC[NH3+])cc1 ZINC001170900558 972063620 /nfs/dbraw/zinc/06/36/20/972063620.db2.gz WBNKHKAWASAKRM-ZDUSSCGKSA-N 2 0 237.347 1.909 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ncccc1OC(F)F ZINC001170899975 972065392 /nfs/dbraw/zinc/06/53/92/972065392.db2.gz ZDRZUEYQGKYVHK-QMMMGPOBSA-N 2 0 246.261 1.119 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ccccc1-c1cnco1 ZINC001170900485 972065749 /nfs/dbraw/zinc/06/57/49/972065749.db2.gz VBTSAZFPDSNNMP-CYBMUJFWSA-N 2 0 246.314 1.777 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1cc(Cl)ccc1F ZINC001170900358 972065844 /nfs/dbraw/zinc/06/58/44/972065844.db2.gz SRGGHYLXBPMOOO-SNVBAGLBSA-N 2 0 231.702 1.915 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1nccc2cc(F)ccc21 ZINC001170899843 972066433 /nfs/dbraw/zinc/06/64/33/972066433.db2.gz YIUCRWYYEYAWRJ-GFCCVEGCSA-N 2 0 248.305 1.810 20 0 BDADRP Nc1cnc2c(cccc2N[C@H]([NH3+])CCC[NH3+])c1 ZINC001170901072 972068035 /nfs/dbraw/zinc/06/80/35/972068035.db2.gz VLOPOSDFQDLGCN-LBPRGKRZSA-N 2 0 245.330 1.253 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1cc(F)cc2[nH]ccc21 ZINC001170900624 972070068 /nfs/dbraw/zinc/07/00/68/972070068.db2.gz XHNGGMDJQKZOQH-GFCCVEGCSA-N 2 0 236.294 1.743 20 0 BDADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc(-c2nnco2)cc1 ZINC001170900798 972070922 /nfs/dbraw/zinc/07/09/22/972070922.db2.gz YJDKDQKVKLLVFN-LLVKDONJSA-N 2 0 247.302 1.172 20 0 BDADRP Cc1nnc(N[C@H]([NH3+])CCC[NH3+])c2ccccc12 ZINC001159786903 972113268 /nfs/dbraw/zinc/11/32/68/972113268.db2.gz MWQOTPNYGMJJDR-LBPRGKRZSA-N 2 0 245.330 1.374 20 0 BDADRP Cc1ccc2ccnc(N[C@H]([NH3+])CCC[NH3+])c2c1 ZINC001159786332 972112277 /nfs/dbraw/zinc/11/22/77/972112277.db2.gz YITMDNYVIZQRIG-ZDUSSCGKSA-N 2 0 244.342 1.979 20 0 BDADRP C([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C1CCCCC1 ZINC001246063832 972126113 /nfs/dbraw/zinc/12/61/13/972126113.db2.gz CYXFDJBQHBTTMP-ZDUSSCGKSA-N 2 0 237.391 1.250 20 0 BDADRP CCCC[C@H](O)C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246029755 972122414 /nfs/dbraw/zinc/12/24/14/972122414.db2.gz LOPWTMNAXWLDKG-TUAOUCFPSA-N 2 0 232.343 1.299 20 0 BDADRP [NH3+]C1(CN[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCC1 ZINC001246076639 972128066 /nfs/dbraw/zinc/12/80/66/972128066.db2.gz QURAGOLNUHJWDY-GDNZZTSVSA-N 2 0 223.364 1.131 20 0 BDADRP CCSC[C@@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC001246075671 972130962 /nfs/dbraw/zinc/13/09/62/972130962.db2.gz MHICDIRUOQDTDJ-SNVBAGLBSA-N 2 0 216.394 1.989 20 0 BDADRP [NH3+]C1(C[NH2+][C@H]2CCSC2)CCCC1 ZINC001246077694 972132109 /nfs/dbraw/zinc/13/21/09/972132109.db2.gz XFSBRUUVEDAVDQ-VIFPVBQESA-N 2 0 200.351 1.353 20 0 BDADRP C[C@]1(CN[C@@H]2CCC[NH2+]C2)CCCC[NH2+]C1 ZINC001246090085 972143207 /nfs/dbraw/zinc/14/32/07/972143207.db2.gz INKOQQJXDVZCIO-OLZOCXBDSA-N 2 0 225.380 1.108 20 0 BDADRP CSCC[C@@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246088968 972144447 /nfs/dbraw/zinc/14/44/47/972144447.db2.gz AEWPCHUJWXOBQP-GHMZBOCLSA-N 2 0 216.394 1.860 20 0 BDADRP C[NH2+]CCNC(=O)c1cccc([C@H]2CCC[NH2+]2)c1 ZINC001220059061 972147594 /nfs/dbraw/zinc/14/75/94/972147594.db2.gz FMQIYSDFHASIBX-CYBMUJFWSA-N 2 0 247.342 1.060 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@@H](C)C2)CCO1 ZINC001246096041 972148543 /nfs/dbraw/zinc/14/85/43/972148543.db2.gz CVCPPVOONPNCKZ-IGQOVBAYSA-N 2 0 240.391 1.779 20 0 BDADRP CN(CCC[NH+](C)C)C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000111137648 972156675 /nfs/dbraw/zinc/15/66/75/972156675.db2.gz VXHXPROMPXEQNC-ZDUSSCGKSA-N 2 0 249.358 1.097 20 0 BDADRP C[C@H](Cc1ccncc1)[NH2+]C[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001246100624 972159167 /nfs/dbraw/zinc/15/91/67/972159167.db2.gz OPLKRJICCQSVCW-GZBFAFLISA-N 2 0 247.386 1.848 20 0 BDADRP CCCC[C@H]1C[C@H](NCC(C)(C)[NH3+])CC[NH2+]1 ZINC001246102009 972161559 /nfs/dbraw/zinc/16/15/59/972161559.db2.gz QRLUGRJPVRQSFY-NWDGAFQWSA-N 2 0 227.396 1.624 20 0 BDADRP C[C@H]1[NH2+]CCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246106695 972168727 /nfs/dbraw/zinc/16/87/27/972168727.db2.gz DXKKBSVZILMTNH-ZBBUEOHVSA-N 2 0 237.391 1.247 20 0 BDADRP CCOCC[C@H](C)[NH2+]C[C@H]1CCC[NH2+][C@@H]1C ZINC001246108907 972175724 /nfs/dbraw/zinc/17/57/24/972175724.db2.gz IWLVFYLBHBOBBZ-YNEHKIRRSA-N 2 0 228.380 1.779 20 0 BDADRP C[C@@H]1C[C@@H](NC[C@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC001246108909 972172723 /nfs/dbraw/zinc/17/27/23/972172723.db2.gz IWWDLYCBEYDVQU-AGIUHOORSA-N 2 0 225.380 1.106 20 0 BDADRP C[C@H]1C[C@H](NCc2ccc3c(c2)CC[NH2+]C3)C[NH2+]1 ZINC001246107948 972173088 /nfs/dbraw/zinc/17/30/88/972173088.db2.gz JEOHSAVEQWANTM-NHYWBVRUSA-N 2 0 245.370 1.172 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)C[C@@H]1C ZINC001246140157 972194521 /nfs/dbraw/zinc/19/45/21/972194521.db2.gz ZFZFCYXPTUHIIO-KLVXDSBYSA-N 2 0 238.375 1.388 20 0 BDADRP CC(C)OCC[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC001246198458 972215720 /nfs/dbraw/zinc/21/57/20/972215720.db2.gz PIIRAEHRVQQPQH-OLZOCXBDSA-N 2 0 228.380 1.779 20 0 BDADRP CCCC[C@@H]1C[C@H]([NH2+]CCCC[NH2+]C)CC[NH2+]1 ZINC001246206125 972216651 /nfs/dbraw/zinc/21/66/51/972216651.db2.gz XMJGENXVFCTZSI-ZIAGYGMSSA-N 3 0 241.423 1.886 20 0 BDADRP C[C@H]1CC[C@@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])CC2)CN1 ZINC001246203157 972217416 /nfs/dbraw/zinc/21/74/16/972217416.db2.gz QKXGGVHFZVLPLI-WUHRBBMRSA-N 2 0 225.380 1.234 20 0 BDADRP C[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H](C[NH3+])CC2)CN1 ZINC001246231980 972238477 /nfs/dbraw/zinc/23/84/77/972238477.db2.gz YNEXSQLLVGUJCN-WUHRBBMRSA-N 2 0 225.380 1.234 20 0 BDADRP C[NH+](C)[C@H]1CCCC[C@@H]1N[C@H]1CCC[NH2+]C1 ZINC001246235173 972239444 /nfs/dbraw/zinc/23/94/44/972239444.db2.gz JDOZTZGGNBJBFJ-AVGNSLFASA-N 2 0 225.380 1.201 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH+]2CCCOCC2)C1 ZINC001208603286 957083787 /nfs/dbraw/zinc/08/37/87/957083787.db2.gz ABFJGWFQJRWMJP-LBPRGKRZSA-N 2 0 212.337 1.051 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCCc2cccnc2)CC[NH2+]1 ZINC001246241609 972246108 /nfs/dbraw/zinc/24/61/08/972246108.db2.gz YPECKYMHGRHDCV-TZMCWYRMSA-N 2 0 233.359 1.744 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C1CCCC1 ZINC001246242503 972246396 /nfs/dbraw/zinc/24/63/96/972246396.db2.gz IYDRMROWASUTGX-YPMHNXCESA-N 2 0 237.391 1.249 20 0 BDADRP CC1(C)C[C@H]([N@@H+]2CCCC[C@@H](C[NH3+])C2)CO1 ZINC000396923828 957363754 /nfs/dbraw/zinc/36/37/54/957363754.db2.gz LCXZRHAJJNVGNX-RYUDHWBXSA-N 2 0 226.364 1.615 20 0 BDADRP CC(C)C[N@H+](C)CCNC(=O)C[NH+](C)C(C)C ZINC001266362755 957371816 /nfs/dbraw/zinc/37/18/16/957371816.db2.gz SWWMRKUUCVMQJG-UHFFFAOYSA-N 2 0 243.395 1.031 20 0 BDADRP COC(=O)C1(C)CCC([NH2+]CC[C@H](C)[NH3+])CC1 ZINC001246302890 972264695 /nfs/dbraw/zinc/26/46/95/972264695.db2.gz CQTRTPMOFRWDAO-ZBOXLXRLSA-N 2 0 242.363 1.435 20 0 BDADRP COc1cccc(C[C@H](C)[NH2+]CC[C@H](C)[NH3+])c1 ZINC001246303318 972266218 /nfs/dbraw/zinc/26/62/18/972266218.db2.gz GYKKMHLWKZGJJQ-RYUDHWBXSA-N 2 0 236.359 1.953 20 0 BDADRP CC[C@@H]([NH3+])CN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001210194838 957663342 /nfs/dbraw/zinc/66/33/42/957663342.db2.gz DVAAVQBKDKCLFS-ZIAGYGMSSA-N 2 0 233.359 1.370 20 0 BDADRP C[C@@H]1C[C@@H](N[C@H]2C[NH2+]CCC2(C)C)CC[NH2+]1 ZINC001246324554 972286537 /nfs/dbraw/zinc/28/65/37/972286537.db2.gz FKGQJTJZFNWDSW-WOPDTQHZSA-N 2 0 225.380 1.105 20 0 BDADRP Cn1c[nH+]cc1-n1ccc2cc(C[NH3+])cnc21 ZINC001167311356 957729303 /nfs/dbraw/zinc/72/93/03/957729303.db2.gz JCPRBVIAVVXOAQ-UHFFFAOYSA-N 2 0 227.271 1.218 20 0 BDADRP C[NH2+]Cc1cccc(CN[C@H]2CCCC[NH2+]C2)c1 ZINC001246327022 972290737 /nfs/dbraw/zinc/29/07/37/972290737.db2.gz YDBJGYKJVANHFZ-HNNXBMFYSA-N 2 0 247.386 1.638 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)C[NH2+]1 ZINC000397706360 957781283 /nfs/dbraw/zinc/78/12/83/957781283.db2.gz MQCVRWBFGQHXQQ-NJMOYASZSA-N 2 0 208.349 1.763 20 0 BDADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N[C@@H]1CC=CCC1 ZINC001221019095 972292337 /nfs/dbraw/zinc/29/23/37/972292337.db2.gz OSEGVZQZCACUBR-NWDGAFQWSA-N 2 0 239.363 1.058 20 0 BDADRP [NH3+][C@@]12CC[C@@]([NH2+][C@@H]3CCCOC3)(C1)CCC2 ZINC001246331881 972293624 /nfs/dbraw/zinc/29/36/24/972293624.db2.gz GDMSOMHDBQNCJT-FRRDWIJNSA-N 2 0 224.348 1.559 20 0 BDADRP CCC[C@@H](CCO)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC001246358432 972302910 /nfs/dbraw/zinc/30/29/10/972302910.db2.gz FFSMSIJLNXZKOP-GRYCIOLGSA-N 2 0 214.353 1.268 20 0 BDADRP CO[C@H]1C[C@H]([NH2+]C2CC[NH+](CC(C)C)CC2)C1 ZINC000706539474 957951153 /nfs/dbraw/zinc/95/11/53/957951153.db2.gz VOGTVSAMTJPBLB-HDJSIYSDSA-N 2 0 240.391 1.874 20 0 BDADRP Cc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CC13C[NH2+]C3)CC2 ZINC001246445469 972312944 /nfs/dbraw/zinc/31/29/44/972312944.db2.gz OHLLIHQZAFXKRY-LSDHHAIUSA-N 2 0 242.366 1.804 20 0 BDADRP c1ccc2c(c1)CC([NH2+][C@@H]1CC13C[NH2+]C3)C2 ZINC001246444735 972317947 /nfs/dbraw/zinc/31/79/47/972317947.db2.gz KYCPFBROPWRGCN-CYBMUJFWSA-N 2 0 214.312 1.105 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]CCCNCCC[NH3+])C[C@H]1C ZINC001246455072 972322690 /nfs/dbraw/zinc/32/26/90/972322690.db2.gz WREYYBAKFBUKSE-MCIONIFRSA-N 2 0 241.423 1.729 20 0 BDADRP COc1ccc(N[C@H]2CC[NH2+][C@H](C)C2)cc1C[NH3+] ZINC001246454459 972324000 /nfs/dbraw/zinc/32/40/00/972324000.db2.gz UIIYRFJHVCPVAY-MFKMUULPSA-N 2 0 249.358 1.706 20 0 BDADRP CCCCC[C@H]([NH2+]C)C(=O)NCCCC[NH3+] ZINC001221349532 972328341 /nfs/dbraw/zinc/32/83/41/972328341.db2.gz ZBSKKJBCSGMBSH-NSHDSACASA-N 2 0 229.368 1.010 20 0 BDADRP C[C@@H]1CC[C@@H](N[C@@]2(C)CCC[N@H+](C)C2)C[NH2+]1 ZINC001246464690 972338601 /nfs/dbraw/zinc/33/86/01/972338601.db2.gz SNIAJACDFCIFSS-UPJWGTAASA-N 2 0 225.380 1.201 20 0 BDADRP CCCC[C@H]1C[C@@H](N[C@H]2C[C@H]([NH2+]C)C2)CC[NH2+]1 ZINC001246464278 972340100 /nfs/dbraw/zinc/34/01/00/972340100.db2.gz YXKLNAGWAAYGQZ-XUXIUFHCSA-N 2 0 239.407 1.637 20 0 BDADRP C[C@@H]1CC[C@@H](NCCc2ccncc2)C[NH2+]1 ZINC000398972181 958469349 /nfs/dbraw/zinc/46/93/49/958469349.db2.gz WZJANCXGHXZWFA-DGCLKSJQSA-N 2 0 219.332 1.354 20 0 BDADRP C[C@H]1CC[C@@H](NCC(C)(C)C[NH+](C)C)C[NH2+]1 ZINC000399023209 958480235 /nfs/dbraw/zinc/48/02/35/958480235.db2.gz GDLIURJGVWHLNN-NWDGAFQWSA-N 2 0 227.396 1.304 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCOC[C@@H](C)C2)CC[NH2+]1 ZINC000399033037 958489702 /nfs/dbraw/zinc/48/97/02/958489702.db2.gz MUZGLSWZSPBXGG-TUAOUCFPSA-N 2 0 212.337 1.095 20 0 BDADRP C[C@@H]1CC[C@H](NC[C@@H]2CCC[N@H+](C)C2)C[NH2+]1 ZINC000399027804 958492494 /nfs/dbraw/zinc/49/24/94/958492494.db2.gz IBQLZKHZFJXZLF-AGIUHOORSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@H]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[NH2+]1 ZINC000399031084 958497327 /nfs/dbraw/zinc/49/73/27/958497327.db2.gz LSBJOBJPPKAVQR-WSOGJNRSSA-N 2 0 237.391 1.342 20 0 BDADRP CC[C@H](C)C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222079811 972364172 /nfs/dbraw/zinc/36/41/72/972364172.db2.gz GABRNQBAKVVXHC-LBPRGKRZSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000724645409 958691229 /nfs/dbraw/zinc/69/12/29/958691229.db2.gz MTLQLNRMAVHJNA-PPCPHDFISA-N 2 0 226.364 1.802 20 0 BDADRP CO[C@@H]1CC[C@@H]1[N@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000724152929 958741342 /nfs/dbraw/zinc/74/13/42/958741342.db2.gz FVQBLZKQPKAHJP-RWMBFGLXSA-N 2 0 226.364 1.485 20 0 BDADRP CCOCC[N@H+](CC)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693558447 958793748 /nfs/dbraw/zinc/79/37/48/958793748.db2.gz ZTRUZKFOBWXQKG-PHIMTYICSA-N 2 0 200.326 1.082 20 0 BDADRP [NH3+]Cc1cccc(NC(=O)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC001327061099 972385088 /nfs/dbraw/zinc/38/50/88/972385088.db2.gz ZEDXCSXFRJRBEC-QWHCGFSZSA-N 2 0 247.342 1.601 20 0 BDADRP C([C@H]1CCCC[NH2+]1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222141699 972386220 /nfs/dbraw/zinc/38/62/20/972386220.db2.gz QSWMXJKYKILMBZ-KGLIPLIRSA-N 2 0 237.391 1.204 20 0 BDADRP CCOCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC001172408125 974669208 /nfs/dbraw/zinc/66/92/08/974669208.db2.gz FEUXQAZDVXEZCW-STQMWFEESA-N 2 0 228.380 1.733 20 0 BDADRP C[NH+](C)Cc1ccc(-n2cccc2C[NH3+])nc1 ZINC001167585618 958965523 /nfs/dbraw/zinc/96/55/23/958965523.db2.gz DGQBOMGOHCQCSK-UHFFFAOYSA-N 2 0 230.315 1.393 20 0 BDADRP CC[C@@H]1CO[C@@H](CC)C[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000404107020 959058575 /nfs/dbraw/zinc/05/85/75/959058575.db2.gz UOGSKHMQIPQOQP-RQJABVFESA-N 2 0 240.391 1.731 20 0 BDADRP C(CN1CC[C@@]12CCC[NH2+]C2)[C@H]1CCC[NH2+]C1 ZINC001222192798 972402128 /nfs/dbraw/zinc/40/21/28/972402128.db2.gz YXRKHORIAPDVSY-ZIAGYGMSSA-N 2 0 237.391 1.204 20 0 BDADRP [NH3+]CCN1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222160554 972403397 /nfs/dbraw/zinc/40/33/97/972403397.db2.gz FYYPCQWIXPPGRS-CYBMUJFWSA-N 2 0 225.380 1.191 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCCSC2)C12CCC2 ZINC000405308891 959429878 /nfs/dbraw/zinc/42/98/78/959429878.db2.gz NSIHXWDSTYCPLA-MXWKQRLJSA-N 2 0 226.389 1.742 20 0 BDADRP c1ccc([C@@H]2C[C@H](N3CC[NH2+]CC3)CC[NH2+]2)cc1 ZINC001246530863 972436295 /nfs/dbraw/zinc/43/62/95/972436295.db2.gz QIXPQCWYZZUUII-CABCVRRESA-N 2 0 245.370 1.385 20 0 BDADRP [NH3+]C[C@H]1C[N@H+](C[C@@H]2CCCOC2)CCC1(F)F ZINC000708501088 959528133 /nfs/dbraw/zinc/52/81/33/959528133.db2.gz AWODCCGLOKSNFO-QWRGUYRKSA-N 2 0 248.317 1.329 20 0 BDADRP CO[C@@H](C)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000308925790 959546416 /nfs/dbraw/zinc/54/64/16/959546416.db2.gz ICTUUWUWVZRJOJ-UNXYVOJBSA-N 2 0 214.353 1.484 20 0 BDADRP F[C@H]1CC[NH2+]C[C@@H]1OCCC[C@@H]1CCC[NH2+]C1 ZINC001217767854 959581511 /nfs/dbraw/zinc/58/15/11/959581511.db2.gz LKLMPSNRDFICIF-AVGNSLFASA-N 2 0 244.354 1.483 20 0 BDADRP F[C@H]1C[NH2+]C[C@H]1OCCC[C@@H]1CCC[NH2+]C1 ZINC001217779517 959591532 /nfs/dbraw/zinc/59/15/32/959591532.db2.gz XNUPVOVZOIHYOA-SDDRHHMPSA-N 2 0 230.327 1.093 20 0 BDADRP C[C@]1([NH3+])CCN(C2CC[NH+](CC3CC3)CC2)C1 ZINC001246532207 972450226 /nfs/dbraw/zinc/45/02/26/972450226.db2.gz VWPJUVYMVUALFC-AWEZNQCLSA-N 2 0 237.391 1.284 20 0 BDADRP C[C@H]1[NH2+]C[C@@H]1OCCCCC1CC[NH2+]CC1 ZINC001217909126 959742597 /nfs/dbraw/zinc/74/25/97/959742597.db2.gz RMVXNCVWSGWCSE-YPMHNXCESA-N 2 0 226.364 1.533 20 0 BDADRP N=c1cc(C[NH3+])ccn1-c1cccn2cc[nH+]c12 ZINC001167688886 959782125 /nfs/dbraw/zinc/78/21/25/959782125.db2.gz BAEZKMXIACECQB-UHFFFAOYSA-N 2 0 239.282 1.063 20 0 BDADRP c1cc2c(c(O[C@H]3CCCC[NH2+]C3)c1)CC[NH2+]C2 ZINC001217971688 959807123 /nfs/dbraw/zinc/80/71/23/959807123.db2.gz OAEODWNEFSGJCC-ZDUSSCGKSA-N 2 0 246.354 1.853 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@H](O)CC1CCCC1 ZINC000300029137 959813587 /nfs/dbraw/zinc/81/35/87/959813587.db2.gz LAHRMNJAYXJZCG-MRVWCRGKSA-N 2 0 240.391 1.739 20 0 BDADRP COCc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000708829778 959860217 /nfs/dbraw/zinc/86/02/17/959860217.db2.gz GPFKWYCVHUJIME-SWLSCSKDSA-N 2 0 248.370 1.860 20 0 BDADRP C[C@H]1C[N@@H+](C2C[C@@H](C)O[C@H](C)C2)C[C@H]1C[NH3+] ZINC000708876873 960011380 /nfs/dbraw/zinc/01/13/80/960011380.db2.gz YBFIBKKXXOYUNK-IRCOFANPSA-N 2 0 226.364 1.469 20 0 BDADRP CC1(C)C[N@H+](CC2CC[NH2+]CC2)[C@](C)(CO)C1 ZINC001207436811 960091159 /nfs/dbraw/zinc/09/11/59/960091159.db2.gz QBRPFHPUJIQSRE-AWEZNQCLSA-N 2 0 240.391 1.469 20 0 BDADRP C[NH+]1CCC(CC[N@@H+]2CCC[C@](C)(O)C2)CC1 ZINC001207485190 960459917 /nfs/dbraw/zinc/45/99/17/960459917.db2.gz UDBOWYYVLDSEPB-AWEZNQCLSA-N 2 0 240.391 1.565 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC2CC(F)(F)C2)CC[NH2+]1 ZINC000709329910 960515459 /nfs/dbraw/zinc/51/54/59/960515459.db2.gz JJHJJQYAOOMECO-SCZZXKLOSA-N 2 0 218.291 1.762 20 0 BDADRP C[C@H]1C[C@@H](NCC[NH+]2CCCCC2)CC[NH2+]1 ZINC000709376324 960535613 /nfs/dbraw/zinc/53/56/13/960535613.db2.gz PLXJOLCHFCRFPS-STQMWFEESA-N 2 0 225.380 1.202 20 0 BDADRP C1C[C@H]2CC([NH2+]C3CCSCC3)C[C@@H]1[NH2+]2 ZINC000709466426 960614900 /nfs/dbraw/zinc/61/49/00/960614900.db2.gz YZJCEJHEYKYWHP-FOSCPWQOSA-N 2 0 226.389 1.755 20 0 BDADRP c1cncc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000709445194 960616314 /nfs/dbraw/zinc/61/63/14/960616314.db2.gz IMOLMDADIBBXBT-PBWFPOADSA-N 2 0 231.343 1.497 20 0 BDADRP Cc1cc(C[NH+]2CCC(C[NH+](C)C)CC2)[nH]n1 ZINC001203075798 960679139 /nfs/dbraw/zinc/67/91/39/960679139.db2.gz OYSIBTRRXWZCLU-UHFFFAOYSA-N 2 0 236.363 1.492 20 0 BDADRP C[C@@H]([NH3+])[C@H](NCC1([NH3+])CCC1)c1ccccc1 ZINC000925701097 960689027 /nfs/dbraw/zinc/68/90/27/960689027.db2.gz ZELXTGQBHSPGLF-YPMHNXCESA-N 2 0 233.359 1.546 20 0 BDADRP CO[C@H]1CC[C@H](C)[N@H+](CCC[NH2+]C2CC2)C1 ZINC000687204871 961184165 /nfs/dbraw/zinc/18/41/65/961184165.db2.gz LXWSWQIBZMTQIR-AAEUAGOBSA-N 2 0 226.364 1.628 20 0 BDADRP OCCCC[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204727986 962084792 /nfs/dbraw/zinc/08/47/92/962084792.db2.gz ZOEFAFCUONPAPF-UHFFFAOYSA-N 2 0 226.364 1.225 20 0 BDADRP C[C@H]1C[C@H]([N@@H+]2CCC3(C2)CCOCC3)CC[NH2+]1 ZINC000383104877 962209609 /nfs/dbraw/zinc/20/96/09/962209609.db2.gz CVNLSBBFGXEMPL-QWHCGFSZSA-N 2 0 238.375 1.629 20 0 BDADRP C[NH+](C)C[C@H]1CCCN1c1cc(N)cc[nH+]1 ZINC000061642798 962460891 /nfs/dbraw/zinc/46/08/91/962460891.db2.gz ZCNLJJWUMLBJFS-LLVKDONJSA-N 2 0 220.320 1.194 20 0 BDADRP CCc1cc(N[C@@]23CCC[C@@H]2[NH2+]CC3)cc[nH+]1 ZINC000711631041 962738549 /nfs/dbraw/zinc/73/85/49/962738549.db2.gz RXPKBBFPGAKUJJ-UONOGXRCSA-N 2 0 231.343 1.762 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+]([C@H]3C[C@H]4C[C@H]4C3)C2)C1 ZINC001167958069 962823530 /nfs/dbraw/zinc/82/35/30/962823530.db2.gz YBGMZLTWVMRVRJ-ZOBORPQBSA-N 2 0 220.360 1.813 20 0 BDADRP [NH3+]C1CN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167964461 962990244 /nfs/dbraw/zinc/99/02/44/962990244.db2.gz QOWCVFJICGMRIS-PBWFPOADSA-N 2 0 235.375 1.035 20 0 BDADRP Nc1cc[nH+]c(N2C[C@@H]([NH3+])Cc3ccccc32)c1 ZINC001155298746 963045970 /nfs/dbraw/zinc/04/59/70/963045970.db2.gz XCXINNVTYGXVLC-LBPRGKRZSA-N 2 0 240.310 1.685 20 0 BDADRP c1cc2c[nH+]c(N[C@H]3CC[C@@H]4C[NH2+]C[C@@H]43)cc2[nH]1 ZINC001155582896 963119445 /nfs/dbraw/zinc/11/94/45/963119445.db2.gz DJKLRYWQEOKJGJ-USWWRNFRSA-N 2 0 242.326 1.973 20 0 BDADRP N[C@@H]1C[N@H+](CCCCCC[NH3+])CCC1(F)F ZINC001206657030 963126404 /nfs/dbraw/zinc/12/64/04/963126404.db2.gz OGAQMZITPMFSMH-SNVBAGLBSA-N 2 0 235.322 1.174 20 0 BDADRP CN(c1cc2[nH]ccc2c[nH+]1)C1CC[NH2+]CC1 ZINC001156172573 963270683 /nfs/dbraw/zinc/27/06/83/963270683.db2.gz RDYDNYFAIHUGLT-UHFFFAOYSA-N 2 0 230.315 1.751 20 0 BDADRP Cc1[nH+]c(N2CC[C@@H]([NH3+])C2)cc2[nH]ccc21 ZINC001156226225 963289815 /nfs/dbraw/zinc/28/98/15/963289815.db2.gz JDDJQXLUOVJRNT-SECBINFHSA-N 2 0 216.288 1.409 20 0 BDADRP Cc1[nH+]c(N2CC[C@H]([NH3+])C2)cc2[nH]ccc21 ZINC001156226230 963291082 /nfs/dbraw/zinc/29/10/82/963291082.db2.gz JDDJQXLUOVJRNT-VIFPVBQESA-N 2 0 216.288 1.409 20 0 BDADRP C[N@@H+]1CCC[C@H](CCNc2cccc(N)[nH+]2)C1 ZINC001156378498 963324700 /nfs/dbraw/zinc/32/47/00/963324700.db2.gz MMXAZTNASWQFHY-LLVKDONJSA-N 2 0 234.347 1.808 20 0 BDADRP C[N@@H+]1CC[C@H](Nc2cc(N3CCCC3)cc[nH+]2)C1 ZINC001156580958 963394258 /nfs/dbraw/zinc/39/42/58/963394258.db2.gz OCXVMLHYGYBGDJ-LBPRGKRZSA-N 2 0 246.358 1.798 20 0 BDADRP C[N@@H+]1CCC[C@H]2CN(c3cc(N)cc[nH+]3)C[C@@H]21 ZINC001157262352 963567848 /nfs/dbraw/zinc/56/78/48/963567848.db2.gz VHFZGEKNQSZMLU-JQWIXIFHSA-N 2 0 232.331 1.194 20 0 BDADRP C[N@@H+]1CCC[C@@H]2CN(c3cc(N)cc[nH+]3)C[C@H]21 ZINC001157262355 963568674 /nfs/dbraw/zinc/56/86/74/963568674.db2.gz VHFZGEKNQSZMLU-ZYHUDNBSSA-N 2 0 232.331 1.194 20 0 BDADRP CC1(Nc2nccc(NC3CC3)n2)CC[NH2+]CC1 ZINC001157396837 963593383 /nfs/dbraw/zinc/59/33/83/963593383.db2.gz IQJXJLJSMPXFGH-UHFFFAOYSA-N 2 0 247.346 1.605 20 0 BDADRP C[NH+](C)Cc1ccnc(NC2(C)CC[NH2+]CC2)c1 ZINC001157405192 963597617 /nfs/dbraw/zinc/59/76/17/963597617.db2.gz AXIGJYMOBFOVQC-UHFFFAOYSA-N 2 0 248.374 1.697 20 0 BDADRP Cc1c[nH+]c(N2CCC[C@H]([NH3+])[C@H]2C)cc1N ZINC001157742933 963713778 /nfs/dbraw/zinc/71/37/78/963713778.db2.gz GIRYPBOAYLHLOP-ZJUUUORDSA-N 2 0 220.320 1.288 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCCN1c1cc(C[NH+](C)C)ccn1 ZINC001157746814 963716483 /nfs/dbraw/zinc/71/64/83/963716483.db2.gz NWDJMIGVZOGOCS-DGCLKSJQSA-N 2 0 248.374 1.459 20 0 BDADRP C[C@@H]1CN(c2cc3[nH]ccc3c[nH+]2)C[C@H](C)[NH2+]1 ZINC001158175109 963818974 /nfs/dbraw/zinc/81/89/74/963818974.db2.gz CMAZXFKMFLEFRP-AOOOYVTPSA-N 2 0 230.315 1.750 20 0 BDADRP C[C@@H]1CN(c2cc(C[NH+](C)C)ccn2)C[C@H](C)[NH2+]1 ZINC001158187334 963822452 /nfs/dbraw/zinc/82/24/52/963822452.db2.gz YVCPKUBPSLVDHU-TXEJJXNPSA-N 2 0 248.374 1.330 20 0 BDADRP C[C@@H]1C[C@@H]([NH+]2CCC3(C[NH+](C)C3)CC2)CCO1 ZINC001168135921 963831324 /nfs/dbraw/zinc/83/13/24/963831324.db2.gz HYKLVLUXKRKXJD-OLZOCXBDSA-N 2 0 238.375 1.582 20 0 BDADRP C[C@@H]1C[C@H]([N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CCO1 ZINC001168139484 963842276 /nfs/dbraw/zinc/84/22/76/963842276.db2.gz TVWHBCUFUOPPIJ-FVCCEPFGSA-N 2 0 224.348 1.047 20 0 BDADRP CC[N@H+](C)C1CC[NH+]([C@H]2CCO[C@H](C)C2)CC1 ZINC001168141804 963847425 /nfs/dbraw/zinc/84/74/25/963847425.db2.gz JZUVISBUAOHDIO-OCCSQVGLSA-N 2 0 240.391 1.970 20 0 BDADRP C[NH+](C)Cc1ccc(NC2(C)CC[NH2+]CC2)nc1 ZINC001168183421 963938232 /nfs/dbraw/zinc/93/82/32/963938232.db2.gz GFFLUMAKPNCPNM-UHFFFAOYSA-N 2 0 248.374 1.697 20 0 BDADRP Cc1cnc(N2CCC3(C[NH2+]C3)CC2)c(C[NH3+])c1 ZINC001159042887 963979465 /nfs/dbraw/zinc/97/94/65/963979465.db2.gz MORAXBABYWCKKG-UHFFFAOYSA-N 2 0 246.358 1.039 20 0 BDADRP CC1CCC([NH2+]CCN(C)CC[NH3+])CC1 ZINC001168203572 963979940 /nfs/dbraw/zinc/97/99/40/963979940.db2.gz VYLSWKQNOOLDBG-UHFFFAOYSA-N 2 0 213.369 1.045 20 0 BDADRP Cc1[nH+]c(NC[C@@H]2COCC[NH2+]2)cc2[nH]ccc21 ZINC001159044726 963986126 /nfs/dbraw/zinc/98/61/26/963986126.db2.gz ZSRXJDMVZQBPIZ-SNVBAGLBSA-N 2 0 246.314 1.272 20 0 BDADRP COc1ccc2c(c1)C[C@H]([NH2+]C1(C[NH3+])CC1)C2 ZINC001168259083 964075761 /nfs/dbraw/zinc/07/57/61/964075761.db2.gz ISANMOFSXHUTMQ-GFCCVEGCSA-N 2 0 232.327 1.243 20 0 BDADRP Cc1cc(C)[nH+]c(NCCN(C)CC[NH3+])c1 ZINC001159432528 964076844 /nfs/dbraw/zinc/07/68/44/964076844.db2.gz XBNRIHIYOVYQNN-UHFFFAOYSA-N 2 0 222.336 1.001 20 0 BDADRP [NH3+]CCc1cccc(NC=C2CC[NH2+]CC2)c1 ZINC001159672207 964147121 /nfs/dbraw/zinc/14/71/21/964147121.db2.gz QVRDIHYYTUGAIY-UHFFFAOYSA-N 2 0 231.343 1.867 20 0 BDADRP Cc1nc(Cl)nc(N[C@@H]([NH3+])CCC[NH3+])c1C ZINC001159780329 964196110 /nfs/dbraw/zinc/19/61/10/964196110.db2.gz XVKCGOKCJTTYSS-MRVPVSSYSA-N 2 0 243.742 1.182 20 0 BDADRP CSCc1ccc(N[C@H]([NH3+])CCC[NH3+])nc1 ZINC001159789304 964200089 /nfs/dbraw/zinc/20/00/89/964200089.db2.gz RUGAYMYOUDJFAH-JTQLQIEISA-N 2 0 240.376 1.380 20 0 BDADRP CC(C)(C)c1ccc(N[C@H]([NH3+])CCC[NH3+])nc1 ZINC001159788108 964201190 /nfs/dbraw/zinc/20/11/90/964201190.db2.gz HFTPSTCZAQVKOR-NSHDSACASA-N 2 0 236.363 1.815 20 0 BDADRP [NH3+]CCC[C@@H]([NH3+])Nc1ncc2cc(F)ccc2n1 ZINC001159787226 964201617 /nfs/dbraw/zinc/20/16/17/964201617.db2.gz UCQTWGVRJAXAAA-NSHDSACASA-N 2 0 249.293 1.205 20 0 BDADRP [NH3+][C@H]1Cc2ccc(NC3=CCC[NH2+]CC3)cc2C1 ZINC001159833369 964209647 /nfs/dbraw/zinc/20/96/47/964209647.db2.gz WRTPJVCUEYIOTR-ZDUSSCGKSA-N 2 0 243.354 1.792 20 0 BDADRP CN(C)c1cc[nH+]c(NC[C@H]2CCCC[NH2+]2)c1 ZINC001160146896 964260012 /nfs/dbraw/zinc/26/00/12/964260012.db2.gz GCMLLWUWXWZCKK-LLVKDONJSA-N 2 0 234.347 1.702 20 0 BDADRP C[NH+](C)C1CCC([NH2+]CCC2COC2)CC1 ZINC001168300257 964391565 /nfs/dbraw/zinc/39/15/65/964391565.db2.gz RELPYTGHYOICRT-UHFFFAOYSA-N 2 0 226.364 1.485 20 0 BDADRP C[NH+](C)C1CCC(NC(=[NH2+])SCC[NH3+])CC1 ZINC001168298004 964392315 /nfs/dbraw/zinc/39/23/15/964392315.db2.gz VNWNEQWKHDFFIP-UHFFFAOYSA-N 3 0 244.408 1.075 20 0 BDADRP C[NH+](C)C1CCC([NH2+]CCCC(C)(C)O)CC1 ZINC001168303792 964396030 /nfs/dbraw/zinc/39/60/30/964396030.db2.gz DLXWPWBUMPIUGS-UHFFFAOYSA-N 2 0 242.407 2.000 20 0 BDADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCCC(=O)C2)CC1 ZINC001168303901 964398793 /nfs/dbraw/zinc/39/87/93/964398793.db2.gz FSIPJLVVFBTBDR-OTTFEQOBSA-N 2 0 238.375 1.961 20 0 BDADRP C[NH+](C)C1CCC([N@@H+]2CCCC[C@H](O)C2)CC1 ZINC001168314557 964418564 /nfs/dbraw/zinc/41/85/64/964418564.db2.gz MVSXJINWMYHHDI-RUXDESIVSA-N 2 0 240.391 1.706 20 0 BDADRP COC1C[NH+](C2CCC([NH+](C)C)CC2)C1 ZINC001168315782 964419723 /nfs/dbraw/zinc/41/97/23/964419723.db2.gz OPUZFAPVQFKGFT-UHFFFAOYSA-N 2 0 212.337 1.190 20 0 BDADRP CC(C)[NH+]1CC(Nc2cccc3c2C[NH2+]CC3)C1 ZINC001168313975 964421068 /nfs/dbraw/zinc/42/10/68/964421068.db2.gz IBWGIASQMGQRRE-UHFFFAOYSA-N 2 0 245.370 1.837 20 0 BDADRP CC[N@H+](CCN(C)C)C1CCC([NH+](C)C)CC1 ZINC001168315710 964421179 /nfs/dbraw/zinc/42/11/79/964421179.db2.gz LFSRZQIMDKOTMF-UHFFFAOYSA-N 2 0 241.423 1.743 20 0 BDADRP C[C@@H]1CC[N@@H+](C2CCC([NH+](C)C)CC2)C[C@H]1O ZINC001168314134 964421851 /nfs/dbraw/zinc/42/18/51/964421851.db2.gz KGRBHRUREXYSIO-BLYZHGLHSA-N 2 0 240.391 1.562 20 0 BDADRP C[C@H]1C[N@@H+](C2CCC([NH+](C)C)CC2)CCCO1 ZINC001168314106 964421982 /nfs/dbraw/zinc/42/19/82/964421982.db2.gz JXKAEDIXCNKSSG-HSBZDZAISA-N 2 0 240.391 1.970 20 0 BDADRP C[NH+](C)C1CCC([NH+]2CCOCC2)CC1 ZINC001168314980 964426159 /nfs/dbraw/zinc/42/61/59/964426159.db2.gz JRORLUOSWMWFDB-UHFFFAOYSA-N 2 0 212.337 1.191 20 0 BDADRP C[NH+](C)C1CCC([NH+]2CC3(CCO3)C2)CC1 ZINC001168327363 964455929 /nfs/dbraw/zinc/45/59/29/964455929.db2.gz KURFKDFONVKCPD-UHFFFAOYSA-N 2 0 224.348 1.334 20 0 BDADRP C[NH+](C)C1CCC([N@H+](C)C2(C)COC2)CC1 ZINC001168327912 964459768 /nfs/dbraw/zinc/45/97/68/964459768.db2.gz SUUSPFOVZDDVOO-UHFFFAOYSA-N 2 0 226.364 1.580 20 0 BDADRP CC[N@H+](CC(C)(C)O)C1CCC([NH+](C)C)CC1 ZINC001168327956 964461292 /nfs/dbraw/zinc/46/12/92/964461292.db2.gz VFAPHLYLTNVXFC-UHFFFAOYSA-N 2 0 242.407 1.952 20 0 BDADRP C[NH+](C)C1CCC([N@H+](C)Cc2ccncn2)CC1 ZINC001168330684 964464734 /nfs/dbraw/zinc/46/47/34/964464734.db2.gz VUIUKGOLKRSDIL-UHFFFAOYSA-N 2 0 248.374 1.781 20 0 BDADRP Cc1[nH+]c(NC/C=C/C[NH3+])cc2[nH]ccc21 ZINC001160983320 964469396 /nfs/dbraw/zinc/46/93/96/964469396.db2.gz ZDQCWYLTYVAINO-NSCUHMNNSA-N 2 0 216.288 1.798 20 0 BDADRP C([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H]1CCO1 ZINC001168356440 964512274 /nfs/dbraw/zinc/51/22/74/964512274.db2.gz RWCDXPHRHJBTQY-ZDUSSCGKSA-N 2 0 224.348 1.239 20 0 BDADRP [NH3+]CCc1ccn(C2CC[NH+](CC3CC3)CC2)n1 ZINC001168356253 964513436 /nfs/dbraw/zinc/51/34/36/964513436.db2.gz MKFUNIHOBVAFFX-UHFFFAOYSA-N 2 0 248.374 1.431 20 0 BDADRP C[C@@H](CC[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000697910841 964677503 /nfs/dbraw/zinc/67/75/03/964677503.db2.gz VTNFMTNMFMPIKP-RVMXOQNASA-N 2 0 228.380 1.872 20 0 BDADRP C[NH+](C)CCCCNc1cc(C[NH3+])ccn1 ZINC001161725596 964717258 /nfs/dbraw/zinc/71/72/58/964717258.db2.gz OOZVRDGNXFNEBF-UHFFFAOYSA-N 2 0 222.336 1.294 20 0 BDADRP C[C@H](C[NH3+])CN(C)C1CC[NH+](CC2CC2)CC1 ZINC001168365631 964717359 /nfs/dbraw/zinc/71/73/59/964717359.db2.gz AZYGNGIBEHFFNN-GFCCVEGCSA-N 2 0 239.407 1.387 20 0 BDADRP C[n+]1cccc(NCCCC[NH+](C)C)c1 ZINC001161736021 964723417 /nfs/dbraw/zinc/72/34/17/964723417.db2.gz KGHHROCIZOLENW-UHFFFAOYSA-N 2 0 208.329 1.265 20 0 BDADRP [NH3+]Cc1cc(N[C@H]2CCC[C@H]([NH3+])C2)ccn1 ZINC001162400284 964959539 /nfs/dbraw/zinc/95/95/39/964959539.db2.gz GUCRULBWQKKLEV-UWVGGRQHSA-N 2 0 220.320 1.222 20 0 BDADRP C[C@@H]1C[NH2+]CCC[C@H]1CNc1cc(C[NH3+])ccn1 ZINC001162452946 964985332 /nfs/dbraw/zinc/98/53/32/964985332.db2.gz HKJJMBCSMDCCLS-YPMHNXCESA-N 2 0 248.374 1.588 20 0 BDADRP Cc1c(N)cc[nH+]c1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001162472309 964988019 /nfs/dbraw/zinc/98/80/19/964988019.db2.gz FFEUSSPFARLGRN-IUCAKERBSA-N 2 0 224.283 1.084 20 0 BDADRP C[C@H]1C[NH2+]CCC[C@H]1CNc1ccnc(C[NH3+])c1 ZINC001162468264 964989036 /nfs/dbraw/zinc/98/90/36/964989036.db2.gz WEPUYBXSDCXMQW-RYUDHWBXSA-N 2 0 248.374 1.588 20 0 BDADRP C[C@@H]1C[C@@H](CNc2cccc3c2C[NH2+]CC3)C[NH2+]1 ZINC001162556643 965049588 /nfs/dbraw/zinc/04/95/88/965049588.db2.gz PAPJXMZCRLZSLV-VXGBXAGGSA-N 2 0 245.370 1.742 20 0 BDADRP [NH3+]Cc1ccnn1-c1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC001162593230 965066097 /nfs/dbraw/zinc/06/60/97/965066097.db2.gz DHJYWRYUFZBWMG-AWEZNQCLSA-N 2 0 242.326 1.756 20 0 BDADRP Nc1cc[nH+]c2cc(-n3nccc3C[NH3+])ccc12 ZINC001162597870 965068321 /nfs/dbraw/zinc/06/83/21/965068321.db2.gz MBKFSOFGSXBJLL-UHFFFAOYSA-N 2 0 239.282 1.461 20 0 BDADRP C[C@H]1[NH2+]CC[C@H]1Nc1cccc(C[NH+](C)C)n1 ZINC001162673065 965104526 /nfs/dbraw/zinc/10/45/26/965104526.db2.gz JJBIQOUHYZUHDM-ZYHUDNBSSA-N 2 0 234.347 1.306 20 0 BDADRP CCC(=O)Nc1cc(N[C@@H]2CC[NH2+][C@@H]2C)cc[nH+]1 ZINC001162680623 965117358 /nfs/dbraw/zinc/11/73/58/965117358.db2.gz NTTGXXXPQOGVPT-MWLCHTKSSA-N 2 0 248.330 1.592 20 0 BDADRP C[NH+]1CC2(CN(C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001168396021 965152866 /nfs/dbraw/zinc/15/28/66/965152866.db2.gz BLMVEMPTOFNPJW-UHFFFAOYSA-N 2 0 249.402 1.108 20 0 BDADRP Cc1c[nH+]c(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)cc1C ZINC001162801097 965185783 /nfs/dbraw/zinc/18/57/83/965185783.db2.gz GININLWEVQSUEG-JHJVBQTASA-N 2 0 229.327 1.884 20 0 BDADRP c1cc2c(c(N[C@H]3CC[C@@H]4C[NH2+]C[C@@H]43)[nH+]1)CCN2 ZINC001163261008 965319971 /nfs/dbraw/zinc/31/99/71/965319971.db2.gz DKQCZJBZAXYAFE-CDMKHQONSA-N 2 0 244.342 1.460 20 0 BDADRP CN(C)c1cc[nH+]c(NCC2([NH3+])CCC2)c1 ZINC001163321013 965332053 /nfs/dbraw/zinc/33/20/53/965332053.db2.gz IUVBHZPECFVBEY-UHFFFAOYSA-N 2 0 220.320 1.441 20 0 BDADRP Cc1c[nH+]c(NCC2([NH3+])CCC2)cc1N ZINC001163327259 965335656 /nfs/dbraw/zinc/33/56/56/965335656.db2.gz VKCQMAQBQAPZBQ-UHFFFAOYSA-N 2 0 206.293 1.266 20 0 BDADRP C[NH+](C)C1CN(c2cc(N3CCCC3)cc[nH+]2)C1 ZINC001163940805 965650097 /nfs/dbraw/zinc/65/00/97/965650097.db2.gz UTYOFMUYZVJICT-UHFFFAOYSA-N 2 0 246.358 1.432 20 0 BDADRP [NH3+][C@@H]1CCC[N@H+](Cc2cc[nH]c(=O)c2)CC1 ZINC001205094195 965725592 /nfs/dbraw/zinc/72/55/92/965725592.db2.gz KCAKEMNKSSQHKL-LLVKDONJSA-N 2 0 221.304 1.100 20 0 BDADRP [NH3+][C@H]1CCC[N@H+](C[C@H]2CCC=CO2)CC1 ZINC001205094788 965729552 /nfs/dbraw/zinc/72/95/52/965729552.db2.gz PMNOEZXTJFWUDS-NWDGAFQWSA-N 2 0 210.321 1.492 20 0 BDADRP [NH3+][C@@H]1CCC[N@H+](Cc2ccc[nH]c2=O)CC1 ZINC001205094975 965733532 /nfs/dbraw/zinc/73/35/32/965733532.db2.gz SFKPFQKDQKRBKE-LLVKDONJSA-N 2 0 221.304 1.100 20 0 BDADRP Cc1c[nH+]c(N2CCC[C@](C)(C[NH3+])CC2)cc1N ZINC001164249149 965808097 /nfs/dbraw/zinc/80/80/97/965808097.db2.gz VNKCQOWTTSWSNR-AWEZNQCLSA-N 2 0 248.374 1.928 20 0 BDADRP [NH3+][C@@H]1CCN(c2ccc([C@@H]3CCC[NH2+]3)cn2)C1 ZINC001164274835 965815558 /nfs/dbraw/zinc/81/55/58/965815558.db2.gz ALFZRNCSMGPBBA-NEPJUHHUSA-N 2 0 232.331 1.044 20 0 BDADRP C[N@H+](C[C@@H]1CCCO1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699213075 965817020 /nfs/dbraw/zinc/81/70/20/965817020.db2.gz YPQVFOISBFUKGK-GSPSYOTPSA-N 2 0 238.375 1.628 20 0 BDADRP [NH3+][C@@H]1CCC[N@H+](Cc2cccc3c2CCO3)CC1 ZINC001205117803 965869556 /nfs/dbraw/zinc/86/95/56/965869556.db2.gz VUCQUUWADRUHEP-CYBMUJFWSA-N 2 0 246.354 1.935 20 0 BDADRP CC(C)C1=[NH+]CCc2ccc(NOCC[NH3+])cc21 ZINC001164435300 965879486 /nfs/dbraw/zinc/87/94/86/965879486.db2.gz CQOKQAHXSJNNAP-UHFFFAOYSA-N 2 0 247.342 1.990 20 0 BDADRP C[C@H]1CC[C@H](C[NH3+])CN1c1cccc(N(C)C)[nH+]1 ZINC001164460264 965891151 /nfs/dbraw/zinc/89/11/51/965891151.db2.gz AXSHSTOXMTWXSM-NWDGAFQWSA-N 2 0 248.374 1.711 20 0 BDADRP CC[C@@H]1COC[C@H]1[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000699542214 965953656 /nfs/dbraw/zinc/95/36/56/965953656.db2.gz KUTBNTSAZNBUOH-MGPQQGTHSA-N 2 0 240.391 1.733 20 0 BDADRP Nc1cc[nH+]c(N2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC001165236767 966003221 /nfs/dbraw/zinc/00/32/21/966003221.db2.gz QSZROWMVPMOASN-CYBMUJFWSA-N 2 0 232.331 1.244 20 0 BDADRP Cc1c[nH+]c(N2CC[C@]3(C2)CCC[NH2+]C3)cc1N ZINC001165244794 966005942 /nfs/dbraw/zinc/00/59/42/966005942.db2.gz WHNYYXUXWUJREO-CQSZACIVSA-N 2 0 246.358 1.552 20 0 BDADRP C[N@@H+]1CCC[C@@H](CCNc2cnc(C[NH3+])nc2)C1 ZINC001165277871 966021187 /nfs/dbraw/zinc/02/11/87/966021187.db2.gz AYWKHAWIQREYMV-NSHDSACASA-N 2 0 249.362 1.079 20 0 BDADRP C/C(=C\C=C\N)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC001165278358 966023292 /nfs/dbraw/zinc/02/32/92/966023292.db2.gz FLIBQILTPHJHMV-KCQLPXRTSA-N 2 0 223.364 1.684 20 0 BDADRP Cc1[nH+]c(N2C[C@@H]3C[C@]3([NH3+])C2)cc2[nH]ccc21 ZINC001165316833 966049157 /nfs/dbraw/zinc/04/91/57/966049157.db2.gz QYRPQGRXMQYMIA-ZANVPECISA-N 2 0 228.299 1.409 20 0 BDADRP c1cc2c[nH+]c(N3CCC[C@H]4[NH2+]C[C@H]43)cc2[nH]1 ZINC001165388185 966081345 /nfs/dbraw/zinc/08/13/45/966081345.db2.gz VQYXIXRTFFLVBL-ZYHUDNBSSA-N 2 0 228.299 1.504 20 0 BDADRP C[C@@H]1COC[C@@H]1[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000699773183 966084576 /nfs/dbraw/zinc/08/45/76/966084576.db2.gz GBCAESTZWRYOFE-PCDDKUFXSA-N 2 0 232.327 1.756 20 0 BDADRP CC(C)C[NH+]1CCC([NH2+][C@H]2COC[C@H]2C)CC1 ZINC000699804786 966096614 /nfs/dbraw/zinc/09/66/14/966096614.db2.gz IIMCICXDNASSMV-OCCSQVGLSA-N 2 0 240.391 1.731 20 0 BDADRP CC1(C[NH3+])C[NH+](CC2(C)CCOCC2)C1 ZINC001206711164 966195286 /nfs/dbraw/zinc/19/52/86/966195286.db2.gz GDCMLAQCHDFWPP-UHFFFAOYSA-N 2 0 212.337 1.084 20 0 BDADRP [NH3+][C@]12CC[C@H]1CN(CCC[NH+]1CCCCC1)C2 ZINC001235979496 966196735 /nfs/dbraw/zinc/19/67/35/966196735.db2.gz MMBHVPABXHLESB-KBPBESRZSA-N 2 0 237.391 1.286 20 0 BDADRP CCN(CC[C@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC001236003793 966224724 /nfs/dbraw/zinc/22/47/24/966224724.db2.gz AKQGAKXCUWADOP-ZIAGYGMSSA-N 2 0 239.407 1.450 20 0 BDADRP Cc1cc2[nH+]ccn2cc1-n1ccnc1CC[NH3+] ZINC001166369656 966275822 /nfs/dbraw/zinc/27/58/22/966275822.db2.gz GHANAJHCPFVVBD-UHFFFAOYSA-N 2 0 241.298 1.330 20 0 BDADRP c1coc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236314508 966362728 /nfs/dbraw/zinc/36/27/28/966362728.db2.gz PLPUSUVPCRULLK-TXEJJXNPSA-N 2 0 220.316 1.711 20 0 BDADRP Cc1cccc(O[C@@H]2CC[N@H+](CCCC[NH3+])C2)n1 ZINC001236665251 966499143 /nfs/dbraw/zinc/49/91/43/966499143.db2.gz SGFCACOAMVZVTM-CYBMUJFWSA-N 2 0 249.358 1.582 20 0 BDADRP C[C@@H]1CN(Cc2cccc3c[nH+]cn32)CC[N@@H+]1C ZINC001238120482 966722835 /nfs/dbraw/zinc/72/28/35/966722835.db2.gz WANMDNMLNOJBKC-GFCCVEGCSA-N 2 0 244.342 1.470 20 0 BDADRP c1cnc(OC2C[NH2+]C2)c(C2=CCC[NH2+]CC2)c1 ZINC001238944483 966797985 /nfs/dbraw/zinc/79/79/85/966797985.db2.gz AVMWZWAFXQABJN-UHFFFAOYSA-N 2 0 245.326 1.199 20 0 BDADRP C[NH+]1CCC2(C[NH+](Cc3cccnc3)C2)CC1 ZINC001204075869 966884005 /nfs/dbraw/zinc/88/40/05/966884005.db2.gz ODJZNTPKJWTLLJ-UHFFFAOYSA-N 2 0 231.343 1.609 20 0 BDADRP c1cc(CN2CCN(c3cc[nH+]cc3)CC2)co1 ZINC001204241028 966935107 /nfs/dbraw/zinc/93/51/07/966935107.db2.gz SGSHTOOAUGMSGO-UHFFFAOYSA-N 2 0 243.310 1.997 20 0 BDADRP Cc1cnc(C[NH2+]C2CCC([NH+](C)C)CC2)cn1 ZINC000715519341 966944295 /nfs/dbraw/zinc/94/42/95/966944295.db2.gz SCBDEMQFIRVIIC-UHFFFAOYSA-N 2 0 248.374 1.747 20 0 BDADRP CCC1(Nc2cnccc2/C=C/[NH+](C)C)C[NH2+]C1 ZINC001168587883 966946819 /nfs/dbraw/zinc/94/68/19/966946819.db2.gz ZLEZKOGBBKWSFN-SOFGYWHQSA-N 2 0 246.358 1.778 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CC2SCCS2)CC[N@@H+]1C ZINC000692903989 966980169 /nfs/dbraw/zinc/98/01/69/966980169.db2.gz HKTWVIVLDSJLIG-UWVGGRQHSA-N 2 0 246.445 1.865 20 0 BDADRP Cc1cc(CN2CCC[NH2+]CC2)ccc1O ZINC001204667013 967126255 /nfs/dbraw/zinc/12/62/55/967126255.db2.gz BOYDMVSCQSZMCL-UHFFFAOYSA-N 2 0 220.316 1.496 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCC[C@H](CCO)C2)CC1 ZINC000691351864 967259874 /nfs/dbraw/zinc/25/98/74/967259874.db2.gz UKHGEVGFTAYYIL-CYBMUJFWSA-N 2 0 240.391 1.423 20 0 BDADRP CC[C@@H](C)[N@H+](CCO)CC1CC[NH+](C)CC1 ZINC000691352052 967260809 /nfs/dbraw/zinc/26/08/09/967260809.db2.gz VHNJOGHAIVCDOY-GFCCVEGCSA-N 2 0 228.380 1.421 20 0 BDADRP C[C@H](O)C[C@@H]1CCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000691352315 967261965 /nfs/dbraw/zinc/26/19/65/967261965.db2.gz XROASRFJBFQDFQ-JSGCOSHPSA-N 2 0 240.391 1.564 20 0 BDADRP CC1(C)C[C@@H](C[NH+]2CCC(C[NH3+])CC2)CCO1 ZINC001205026199 967292406 /nfs/dbraw/zinc/29/24/06/967292406.db2.gz NLNXCMYWKSAAHT-ZDUSSCGKSA-N 2 0 240.391 1.862 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2ccc3[nH]cnc3c2)CC1 ZINC001205033962 967298294 /nfs/dbraw/zinc/29/82/94/967298294.db2.gz ZVLOFKZDAMDMNE-UHFFFAOYSA-N 2 0 244.342 1.734 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2ccc3n[nH]cc3c2)CC1 ZINC001205040246 967301249 /nfs/dbraw/zinc/30/12/49/967301249.db2.gz CRQAPHZAJIRLLD-UHFFFAOYSA-N 2 0 244.342 1.734 20 0 BDADRP Cc1cc(C[NH+]2CCC(C[NH3+])CC2)cnc1F ZINC001205047282 967306027 /nfs/dbraw/zinc/30/60/27/967306027.db2.gz UBZDWSHPJYGTJV-UHFFFAOYSA-N 2 0 237.322 1.700 20 0 BDADRP Cc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1O ZINC001205053608 967309714 /nfs/dbraw/zinc/30/97/14/967309714.db2.gz QXXRBVXXUHUBBX-UHFFFAOYSA-N 2 0 234.343 1.871 20 0 BDADRP C[C@H]1CC[C@@H](CN)[N@@H+]1CC1(C)CC[NH2+]CC1 ZINC001205058222 967311234 /nfs/dbraw/zinc/31/12/34/967311234.db2.gz GZBRECFKGZGTAA-RYUDHWBXSA-N 2 0 225.380 1.188 20 0 BDADRP CC1(C[N@@H+]2CCC[C@H]([NH3+])CC2)CC[NH2+]CC1 ZINC001205094945 967339148 /nfs/dbraw/zinc/33/91/48/967339148.db2.gz RLTVWTNEZXSGNM-LBPRGKRZSA-N 3 0 225.380 1.189 20 0 BDADRP COc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)cc1N ZINC001205109857 967350600 /nfs/dbraw/zinc/35/06/00/967350600.db2.gz LIWRIKSXBOKKOG-GFCCVEGCSA-N 2 0 249.358 1.591 20 0 BDADRP [NH3+][C@@H]1CCC[N@H+](Cc2ccc3nccn3c2)CC1 ZINC001205109301 967351099 /nfs/dbraw/zinc/35/10/99/967351099.db2.gz DROJSEMHWMNQHC-CYBMUJFWSA-N 2 0 244.342 1.648 20 0 BDADRP C[C@@H]1CC[C@@H](O)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000691357687 967362111 /nfs/dbraw/zinc/36/21/11/967362111.db2.gz CXYIEJPXFNHOQB-DGCLKSJQSA-N 2 0 226.364 1.173 20 0 BDADRP [NH3+][C@@H]1CCC[N@H+](Cc2cc3ccncc3[nH]2)CC1 ZINC001205117815 967365668 /nfs/dbraw/zinc/36/56/68/967365668.db2.gz WBWZAQBATYLIEZ-GFCCVEGCSA-N 2 0 244.342 1.876 20 0 BDADRP [NH3+][C@H]1CCC[N@H+](Cc2ccc3c(c2)NCC3)CC1 ZINC001205124114 967372703 /nfs/dbraw/zinc/37/27/03/967372703.db2.gz KIMNKRHSYXLDGG-AWEZNQCLSA-N 2 0 245.370 1.968 20 0 BDADRP C[C@H]1C[N@H+](CC[C@H]2CCCC[NH2+]2)C[C@H]1C[NH3+] ZINC001205130525 967376123 /nfs/dbraw/zinc/37/61/23/967376123.db2.gz GZUBZDHPMCPYNV-YNEHKIRRSA-N 2 0 225.380 1.045 20 0 BDADRP C[C@@H](C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1)C(F)(F)F ZINC001205130853 967376782 /nfs/dbraw/zinc/37/67/82/967376782.db2.gz MJOCPMIJZASZSG-XHNCKOQMSA-N 2 0 224.270 1.711 20 0 BDADRP Cc1cc(C)c(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)[nH]1 ZINC001205136271 967383909 /nfs/dbraw/zinc/38/39/09/967383909.db2.gz UBBRQRWEBHFUDY-CMPLNLGQSA-N 2 0 221.348 1.658 20 0 BDADRP C[C@H]1C[N@H+](Cc2c[nH]c3cccnc23)C[C@H]1C[NH3+] ZINC001205146112 967390456 /nfs/dbraw/zinc/39/04/56/967390456.db2.gz OSSMMRWPNPJZHE-WDEREUQCSA-N 2 0 244.342 1.590 20 0 BDADRP Cc1cccnc1C[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205209785 967429194 /nfs/dbraw/zinc/42/91/94/967429194.db2.gz LECZKNBCXKZGBL-CQSZACIVSA-N 2 0 249.358 1.066 20 0 BDADRP C[C@]1([NH3+])CCC[N@H+](C[C@H]2CCOC2)CC1 ZINC001205255099 967443396 /nfs/dbraw/zinc/44/33/96/967443396.db2.gz GUAFFOIYJTZTRQ-NEPJUHHUSA-N 2 0 212.337 1.226 20 0 BDADRP C[C@@]1([NH3+])CCC[N@H+](CC2CC[NH2+]CC2)CC1 ZINC001205256904 967443486 /nfs/dbraw/zinc/44/34/86/967443486.db2.gz SBHWFQRAOGFWLV-CYBMUJFWSA-N 3 0 225.380 1.189 20 0 BDADRP C[C@@]1([NH3+])CCC[N@H+](C[C@@H]2CCOC2)CC1 ZINC001205255100 967443954 /nfs/dbraw/zinc/44/39/54/967443954.db2.gz GUAFFOIYJTZTRQ-NWDGAFQWSA-N 2 0 212.337 1.226 20 0 BDADRP C[C@]1([NH3+])CCCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC001205255530 967444006 /nfs/dbraw/zinc/44/40/06/967444006.db2.gz JYDSDLQNJUVLAH-STQMWFEESA-N 2 0 225.380 1.189 20 0 BDADRP C[C@]1([NH3+])CCC[N@H+](CCCC2OCCO2)CC1 ZINC001205257141 967445464 /nfs/dbraw/zinc/44/54/64/967445464.db2.gz SOZHHGPFTXYQAA-ZDUSSCGKSA-N 2 0 242.363 1.343 20 0 BDADRP C[C@]1([NH3+])CCC[N@H+](CCC23CC([NH3+])(C2)C3)CC1 ZINC001205255103 967445589 /nfs/dbraw/zinc/44/55/89/967445589.db2.gz GUQDBPBIPCFQIT-HSBZDZAISA-N 3 0 237.391 1.461 20 0 BDADRP C[C@@]1([NH3+])CCC[N@H+](CCCn2cccn2)CC1 ZINC001205256226 967445687 /nfs/dbraw/zinc/44/56/87/967445687.db2.gz OAWMIIDMGPDBBO-CYBMUJFWSA-N 2 0 236.363 1.477 20 0 BDADRP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc[nH]c2=O)CC1 ZINC001205263949 967458824 /nfs/dbraw/zinc/45/88/24/967458824.db2.gz GFQRZJXNFDNYQZ-CYBMUJFWSA-N 2 0 235.331 1.491 20 0 BDADRP C[C@@]1([NH3+])CCC[N@H+](Cc2cnc(N)s2)CC1 ZINC001205272992 967467545 /nfs/dbraw/zinc/46/75/45/967467545.db2.gz BWEGOSLFXQRYAV-LLVKDONJSA-N 2 0 240.376 1.429 20 0 BDADRP C[C@@H]1CCN(CC[C@H]2CCCC[NH2+]2)C[C@H]1C[NH3+] ZINC001205295716 967495664 /nfs/dbraw/zinc/49/56/64/967495664.db2.gz BANCZRJFRWTNRT-MGPQQGTHSA-N 2 0 239.407 1.435 20 0 BDADRP C[C@H]1CCNCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC001205324415 967545885 /nfs/dbraw/zinc/54/58/85/967545885.db2.gz AXMZTTDYZQEHOP-LBPRGKRZSA-N 2 0 225.380 1.060 20 0 BDADRP CCC1(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)COC1 ZINC001205536926 967667122 /nfs/dbraw/zinc/66/71/22/967667122.db2.gz CHTXYAVQMLYRSQ-CYBMUJFWSA-N 2 0 244.354 1.566 20 0 BDADRP CSCCC[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205538577 967684241 /nfs/dbraw/zinc/68/42/41/967684241.db2.gz NZOASQKMYDKDTP-LLVKDONJSA-N 2 0 234.384 1.892 20 0 BDADRP CCOC(C)(C)C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205546672 967688455 /nfs/dbraw/zinc/68/84/55/967688455.db2.gz YKYCMHULDOXODO-ZDUSSCGKSA-N 2 0 246.370 1.954 20 0 BDADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2ccoc2)CC1 ZINC001205546632 967690367 /nfs/dbraw/zinc/69/03/67/967690367.db2.gz XLKMCRXEPKTXDG-LBPRGKRZSA-N 2 0 226.295 1.933 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205546239 967692784 /nfs/dbraw/zinc/69/27/84/967692784.db2.gz SPVNFKGNFYXOFD-CYBMUJFWSA-N 3 0 245.386 1.658 20 0 BDADRP Cc1nc[nH]c1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205602803 967718892 /nfs/dbraw/zinc/71/88/92/967718892.db2.gz MPERNXQAPXPPTD-JQWIXIFHSA-N 2 0 236.363 1.525 20 0 BDADRP C[C@@H]1CC[N@H+](Cc2ccc[nH]c2=O)CC[C@H]1C[NH3+] ZINC001205617738 967725157 /nfs/dbraw/zinc/72/51/57/967725157.db2.gz NAXGHAMGKYDXPY-NEPJUHHUSA-N 2 0 249.358 1.594 20 0 BDADRP Cc1c[nH]c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)n1 ZINC001205617856 967731277 /nfs/dbraw/zinc/73/12/77/967731277.db2.gz OOTAITULVKWNSE-PWSUYJOCSA-N 2 0 236.363 1.525 20 0 BDADRP C[C@H]1CC[N@H+](Cc2ccnnc2)CC[C@H]1C[NH3+] ZINC001205627093 967734093 /nfs/dbraw/zinc/73/40/93/967734093.db2.gz MNHRECAKUNMDJC-AAEUAGOBSA-N 2 0 234.347 1.283 20 0 BDADRP CCC1(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)COC1 ZINC001205734929 967809990 /nfs/dbraw/zinc/80/99/90/967809990.db2.gz HNLPZDPJQAISOZ-SNVBAGLBSA-N 2 0 248.317 1.329 20 0 BDADRP C[NH+](C)Cc1cccc(N[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC001162396488 967826382 /nfs/dbraw/zinc/82/63/82/967826382.db2.gz JYBYCHUTMUXVPO-RYUDHWBXSA-N 2 0 248.374 1.825 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H](Nc2cnc3c(c2)C[NH2+]CC3)C1 ZINC001162401876 967828452 /nfs/dbraw/zinc/82/84/52/967828452.db2.gz MZMFXBHJRJOSQP-VXGBXAGGSA-N 2 0 246.358 1.409 20 0 BDADRP COC1CC(C[N@@H+]2CC[C@@H](CC[NH3+])C2)C1 ZINC000703853875 967878668 /nfs/dbraw/zinc/87/86/68/967878668.db2.gz RDSLMQGQDJRYDA-VOMCLLRMSA-N 2 0 212.337 1.082 20 0 BDADRP Cc1cc(C[NH+]2CCC3(C[NH+](C)C3)CC2)n(C)n1 ZINC001205928661 967888973 /nfs/dbraw/zinc/88/89/73/967888973.db2.gz ZHOCALJOZINKRV-UHFFFAOYSA-N 2 0 248.374 1.256 20 0 BDADRP C[C@@H]1C[N@H+](CCCCCC[NH3+])CCC[C@H]1C[NH3+] ZINC001205985662 967942266 /nfs/dbraw/zinc/94/22/66/967942266.db2.gz ZKONAMMIJGWNKW-KGLIPLIRSA-N 3 0 241.423 1.812 20 0 BDADRP C[C@H]1C[N@H+](Cc2nccn2C)CCC[C@H]1C[NH3+] ZINC001205996737 967951062 /nfs/dbraw/zinc/95/10/62/967951062.db2.gz XZVSMFPHAPTWGE-RYUDHWBXSA-N 2 0 236.363 1.227 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccon2)CCC[C@@H]1C[NH3+] ZINC001205996559 967952523 /nfs/dbraw/zinc/95/25/23/967952523.db2.gz XGPOYRVXVRELQI-GHMZBOCLSA-N 2 0 223.320 1.481 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ncco2)CCC[C@H]1C[NH3+] ZINC001206003763 967960123 /nfs/dbraw/zinc/96/01/23/967960123.db2.gz MHWLPEXEWKKADE-MNOVXSKESA-N 2 0 223.320 1.481 20 0 BDADRP C[C@@H]1C[N@H+](Cc2cccnn2)CCC[C@H]1C[NH3+] ZINC001206005631 967960565 /nfs/dbraw/zinc/96/05/65/967960565.db2.gz YWMQSAJKMIVJPZ-NEPJUHHUSA-N 2 0 234.347 1.283 20 0 BDADRP Cc1cnc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)nc1 ZINC001206022752 967983471 /nfs/dbraw/zinc/98/34/71/967983471.db2.gz CQDDKIQJBIVOAW-STQMWFEESA-N 2 0 248.374 1.592 20 0 BDADRP C[C@@H]1CN(Cc2ccc3c(c2)C[NH2+]C3)C[C@H]1[NH3+] ZINC001206071039 968039635 /nfs/dbraw/zinc/03/96/35/968039635.db2.gz YDYFNKCHTCZGJL-QMTHXVAHSA-N 2 0 231.343 1.069 20 0 BDADRP CN(C)c1cc[nH+]c(N(C)CCC[NH+](C)C)c1 ZINC001163595623 968078870 /nfs/dbraw/zinc/07/88/70/968078870.db2.gz KZZRNANNBMFNOM-UHFFFAOYSA-N 2 0 236.363 1.536 20 0 BDADRP Cc1cnccc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206165781 968103588 /nfs/dbraw/zinc/10/35/88/968103588.db2.gz OTWFLEBDWBFWTE-STQMWFEESA-N 2 0 237.322 1.651 20 0 BDADRP [NH3+][C@@H]1CCN(Cc2cccc(=O)[nH]2)CC[C@H]1F ZINC001206167313 968104642 /nfs/dbraw/zinc/10/46/42/968104642.db2.gz YGLQCUKUPGHQAN-GHMZBOCLSA-N 2 0 239.294 1.048 20 0 BDADRP CO[C@@H](C)C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC001206214996 968145038 /nfs/dbraw/zinc/14/50/38/968145038.db2.gz JFXIPZFCURFSBW-NWDGAFQWSA-N 2 0 214.353 1.343 20 0 BDADRP C[C@@H]1C[NH2+]CCN(CC[C@@H]2CCCC[NH2+]2)C1 ZINC001206269857 968185863 /nfs/dbraw/zinc/18/58/63/968185863.db2.gz WUVDSGFOOCSZHT-OLZOCXBDSA-N 2 0 225.380 1.060 20 0 BDADRP C[C@@H]1C[NH2+]CCN(Cc2cccc3c2CCN3)C1 ZINC001206276039 968189814 /nfs/dbraw/zinc/18/98/14/968189814.db2.gz AUMYWBMCENNBFN-GFCCVEGCSA-N 2 0 245.370 1.696 20 0 BDADRP C[N@@H+]1CCC[C@@H](OCC[NH+]2CCCC2)CC1 ZINC001206302238 968211872 /nfs/dbraw/zinc/21/18/72/968211872.db2.gz GOWNJGFOJCYAPY-CYBMUJFWSA-N 2 0 226.364 1.583 20 0 BDADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cc[nH]c(=O)c2)CC1 ZINC001206304255 968211986 /nfs/dbraw/zinc/21/19/86/968211986.db2.gz INQANNNFKWMODI-CQSZACIVSA-N 2 0 249.358 1.738 20 0 BDADRP [NH3+][C@H]1CCN(c2cccc(C3=[NH+]CCC3)c2)C1 ZINC001164286475 968214829 /nfs/dbraw/zinc/21/48/29/968214829.db2.gz PNAAHLJEUUMJLQ-LBPRGKRZSA-N 2 0 229.327 1.807 20 0 BDADRP Cc1cnc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)nc1 ZINC001206327907 968235371 /nfs/dbraw/zinc/23/53/71/968235371.db2.gz ZXACNUAJTOTEQO-AWEZNQCLSA-N 2 0 248.374 1.736 20 0 BDADRP CN(C)c1cc[nH+]c(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1 ZINC001165147027 968268476 /nfs/dbraw/zinc/26/84/76/968268476.db2.gz HKCMASZMAFHDGS-TXEJJXNPSA-N 2 0 246.358 1.145 20 0 BDADRP CC[NH+]1CCC(CN2C[C@H](F)C[C@H]([NH3+])C2)CC1 ZINC001206406128 968282803 /nfs/dbraw/zinc/28/28/03/968282803.db2.gz VJBYAEYNCVHYOR-OLZOCXBDSA-N 2 0 243.370 1.089 20 0 BDADRP CC(C)[NH2+]CC(=O)N(C)C1(C[NH3+])CCCCC1 ZINC001119310871 968323133 /nfs/dbraw/zinc/32/31/33/968323133.db2.gz AGWIYYZYRXLJLH-UHFFFAOYSA-N 2 0 241.379 1.104 20 0 BDADRP CC[C@@H](O)C[NH2+]CCCC[NH+](CC)CC ZINC001251799516 968336937 /nfs/dbraw/zinc/33/69/37/968336937.db2.gz BSCUBLUJYQMTTF-GFCCVEGCSA-N 2 0 216.369 1.469 20 0 BDADRP CC[C@@H](O)C[NH2+]CC1CC[NH+](C(C)C)CC1 ZINC001251803384 968338808 /nfs/dbraw/zinc/33/88/08/968338808.db2.gz UHYNUCYSSCRKPP-CYBMUJFWSA-N 2 0 228.380 1.467 20 0 BDADRP Cc1ccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1C ZINC001206512387 968344503 /nfs/dbraw/zinc/34/45/03/968344503.db2.gz NLUVGWNRHKWCAY-KBPBESRZSA-N 2 0 234.343 1.055 20 0 BDADRP CC[C@@H](O)C[NH2+]CC1CC[NH+](C2CCC2)CC1 ZINC001251814195 968349104 /nfs/dbraw/zinc/34/91/04/968349104.db2.gz WRAWKRVHCFUCNG-CQSZACIVSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@@]1(C[NH3+])CCCCN(C[C@@H]2CCC[NH2+]2)C1 ZINC001206542120 968354054 /nfs/dbraw/zinc/35/40/54/968354054.db2.gz RTQBKTHBKJXWJS-STQMWFEESA-N 2 0 225.380 1.189 20 0 BDADRP C[C@]1(C[NH3+])CCCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC001206541994 968368578 /nfs/dbraw/zinc/36/85/78/968368578.db2.gz OQYQLAQQPIWFQR-CQSZACIVSA-N 3 0 239.407 1.437 20 0 BDADRP C[NH2+]CCN(C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206584503 968400192 /nfs/dbraw/zinc/40/01/92/968400192.db2.gz ZIZYVLXKJOAXBL-LBPRGKRZSA-N 2 0 213.369 1.058 20 0 BDADRP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1cccc(N)n1 ZINC001276491028 968418102 /nfs/dbraw/zinc/41/81/02/968418102.db2.gz AZENUTKILUMOPV-YHWZYXNKSA-N 2 0 246.358 1.379 20 0 BDADRP Cc1ccc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)[nH]1 ZINC001206616937 968420085 /nfs/dbraw/zinc/42/00/85/968420085.db2.gz URRPJHZMTKTKKU-GFCCVEGCSA-N 2 0 221.348 1.884 20 0 BDADRP [NH3+]C[C@@H]1CCCC[N@H+](Cc2ccc(CO)o2)C1 ZINC001206624256 968423049 /nfs/dbraw/zinc/42/30/49/968423049.db2.gz SAFMIPWIWDMUTR-NSHDSACASA-N 2 0 238.331 1.333 20 0 BDADRP C[N@@H+]1CCC[C@@H](OCC[NH+]2CCCCC2)CC1 ZINC001206701341 968436995 /nfs/dbraw/zinc/43/69/95/968436995.db2.gz WEVBOPTZPGFOFS-CQSZACIVSA-N 2 0 240.391 1.973 20 0 BDADRP CC[NH+](CC)CCN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000179291013 968456387 /nfs/dbraw/zinc/45/63/87/968456387.db2.gz DJYPTTZIGWXJPR-CQSZACIVSA-N 2 0 241.423 1.602 20 0 BDADRP C[NH+](C)CC(C)(C)CNc1cc(N)c(F)c[nH+]1 ZINC001168766165 968497936 /nfs/dbraw/zinc/49/79/36/968497936.db2.gz CVBACMUJZRBDRQ-UHFFFAOYSA-N 2 0 240.326 1.803 20 0 BDADRP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc[nH]c3=O)C[C@H]2C1 ZINC001207012807 968548819 /nfs/dbraw/zinc/54/88/19/968548819.db2.gz ZAAVISJAPDTUAN-CHWSQXEVSA-N 2 0 247.342 1.171 20 0 BDADRP C[NH+]1CC2(C1)CCN(Cc1ncccn1)CC2 ZINC001207015665 968553730 /nfs/dbraw/zinc/55/37/30/968553730.db2.gz CPKNDQAKWDPFBL-UHFFFAOYSA-N 2 0 232.331 1.004 20 0 BDADRP CCCC[C@H](O)C[N@@H+]1C[C@H]2CCCN(C)[C@H]2C1 ZINC001252098905 968583061 /nfs/dbraw/zinc/58/30/61/968583061.db2.gz XIJJPGJTDRXJOZ-RDBSUJKOSA-N 2 0 240.391 1.564 20 0 BDADRP CC[NH+]1C[C@H]2C[NH+](Cc3cc[nH]c(=O)c3)C[C@@H]2C1 ZINC001207125764 968641661 /nfs/dbraw/zinc/64/16/61/968641661.db2.gz LQGWGHSSNUZISE-STQMWFEESA-N 2 0 247.342 1.171 20 0 BDADRP C[C@H]1C[N@H+](CC2CC[NH+](C)CC2)CCC[C@H]1O ZINC001207391322 968747517 /nfs/dbraw/zinc/74/75/17/968747517.db2.gz FBFZXBUJZLSWGW-GXTWGEPZSA-N 2 0 240.391 1.421 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCOC3(CC3)C2)CC1 ZINC001207401722 968749531 /nfs/dbraw/zinc/74/95/31/968749531.db2.gz SHIVTIBAHIDOHD-UHFFFAOYSA-N 2 0 224.348 1.193 20 0 BDADRP C[NH+]1CCC(C[N@H+]2CCc3nccn3CC2)CC1 ZINC001207398584 968749589 /nfs/dbraw/zinc/74/95/89/968749589.db2.gz BMWSXSOJGBUIND-UHFFFAOYSA-N 2 0 248.374 1.083 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCC[C@@]23CCOC3)CC1 ZINC001207398634 968752292 /nfs/dbraw/zinc/75/22/92/968752292.db2.gz FCZQHSLLGCDVRI-AWEZNQCLSA-N 2 0 238.375 1.583 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCc3ccncc3C2)CC1 ZINC001207399022 968753283 /nfs/dbraw/zinc/75/32/83/968753283.db2.gz VYXYQJKGBJJLKU-UHFFFAOYSA-N 2 0 245.370 1.782 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC001207435254 968768820 /nfs/dbraw/zinc/76/88/20/968768820.db2.gz BJUYFNAWYFDXRU-CQSZACIVSA-N 2 0 238.375 1.489 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001207436256 968769720 /nfs/dbraw/zinc/76/97/20/968769720.db2.gz YVQNDGNPYYFQPB-KGLIPLIRSA-N 2 0 238.375 1.487 20 0 BDADRP CN1CCC[C@@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@@H]21 ZINC001207440914 968772180 /nfs/dbraw/zinc/77/21/80/968772180.db2.gz LYVYEIMDVRDSSQ-KGLIPLIRSA-N 3 0 237.391 1.012 20 0 BDADRP CC(C)[C@H]1COCC[N@@H+]1CC1CC[NH2+]CC1 ZINC001207438732 968772980 /nfs/dbraw/zinc/77/29/80/968772980.db2.gz GCIDYCOTVZGFRL-CYBMUJFWSA-N 2 0 226.364 1.343 20 0 BDADRP CN1CCC[C@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@H]21 ZINC001207440915 968775028 /nfs/dbraw/zinc/77/50/28/968775028.db2.gz LYVYEIMDVRDSSQ-UONOGXRCSA-N 3 0 237.391 1.012 20 0 BDADRP CO[C@@H]1CC[N@H+](CCC2CC[NH+](C)CC2)C1 ZINC001207481533 968792189 /nfs/dbraw/zinc/79/21/89/968792189.db2.gz KKBHTDQGEPAIBN-CYBMUJFWSA-N 2 0 226.364 1.439 20 0 BDADRP CO[C@@H](C)C1C[NH+](CCC2CC[NH+](C)CC2)C1 ZINC001207487143 968796306 /nfs/dbraw/zinc/79/63/06/968796306.db2.gz IEFMJMXAFNLXHA-LBPRGKRZSA-N 2 0 240.391 1.685 20 0 BDADRP C[NH+]1CCC(CC[N@@H+]2CCC[C@H]2CO)CC1 ZINC001207481449 968798315 /nfs/dbraw/zinc/79/83/15/968798315.db2.gz HICSHIRVBFFATO-ZDUSSCGKSA-N 2 0 226.364 1.175 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H]2CC23CC(O)C3)CC1 ZINC001207669462 968858690 /nfs/dbraw/zinc/85/86/90/968858690.db2.gz CKYMAIAFHORJAN-MOKVOYLWSA-N 2 0 238.375 1.221 20 0 BDADRP C[N@H+]1CC=C(c2ccc(C[NH3+])nc2)CC1 ZINC001241321719 968974534 /nfs/dbraw/zinc/97/45/34/968974534.db2.gz BCHPSAXHZOXGQV-UHFFFAOYSA-N 2 0 203.289 1.259 20 0 BDADRP CC1(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CCOCC1 ZINC000405367553 968985868 /nfs/dbraw/zinc/98/58/68/968985868.db2.gz XINLUHDZRWUDHI-NEPJUHHUSA-N 2 0 238.375 1.663 20 0 BDADRP CO[C@H]1CC[N@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208105600 969002334 /nfs/dbraw/zinc/00/23/34/969002334.db2.gz ABVNJKIRVJLBQK-LBPRGKRZSA-N 2 0 226.364 1.439 20 0 BDADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]CC1(C)CCCC1 ZINC001253385112 969148905 /nfs/dbraw/zinc/14/89/05/969148905.db2.gz UCHNWAPSXSEGCR-LBPRGKRZSA-N 2 0 242.407 1.905 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@@H](O)C2)CC1 ZINC001208595436 969150906 /nfs/dbraw/zinc/15/09/06/969150906.db2.gz SSRLERCJXJHEPL-CYBMUJFWSA-N 2 0 226.364 1.175 20 0 BDADRP C[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C[C@@H]1CC1(C)C ZINC001253394228 969153172 /nfs/dbraw/zinc/15/31/72/969153172.db2.gz IQNGFNMGDLIFNB-NWDGAFQWSA-N 2 0 242.407 1.713 20 0 BDADRP C[N@@H+]1CCC[C@H](C[NH+]2CC3(CCC3)C2)C1 ZINC001208608171 969161678 /nfs/dbraw/zinc/16/16/78/969161678.db2.gz QVWUKEDOUPNQSK-LBPRGKRZSA-N 2 0 208.349 1.814 20 0 BDADRP CCC1([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)CCC1 ZINC001253410630 969166879 /nfs/dbraw/zinc/16/68/79/969166879.db2.gz NTNJXRPQPNMZTG-LLVKDONJSA-N 2 0 228.380 1.658 20 0 BDADRP C[N@@H+]1CCC[C@@H](CN2CC([NH+]3CCCC3)C2)C1 ZINC001208609717 969169342 /nfs/dbraw/zinc/16/93/42/969169342.db2.gz WRPUBDFIYNSJSG-CYBMUJFWSA-N 2 0 237.391 1.108 20 0 BDADRP Cc1cc(N)ncc1-c1ncc2c(n1)CC[NH2+]C2 ZINC001242070796 969196252 /nfs/dbraw/zinc/19/62/52/969196252.db2.gz MAGKAFQUFPWLPV-UHFFFAOYSA-N 2 0 241.298 1.075 20 0 BDADRP CC(C)CCC[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001208733028 969219771 /nfs/dbraw/zinc/21/97/71/969219771.db2.gz AUOFTRCNVYMQHE-UHFFFAOYSA-N 2 0 241.423 1.602 20 0 BDADRP CCc1cc(NC2=CC[N@H+](C)CC2)cc[nH+]1 ZINC001208794619 969243952 /nfs/dbraw/zinc/24/39/52/969243952.db2.gz QPRBAGYMDFHHLW-UHFFFAOYSA-N 2 0 217.316 1.697 20 0 BDADRP C[C@@H]1C[N@H+](Cc2ccc(=O)[nH]c2)CCC[C@@H]1C[NH3+] ZINC001205994845 969247509 /nfs/dbraw/zinc/24/75/09/969247509.db2.gz MNQSUPRMGVJSQV-DGCLKSJQSA-N 2 0 249.358 1.594 20 0 BDADRP [NH3+][C@@H]1CCN(c2ccc(C[NH+]3CCCC3)cn2)C1 ZINC001156232773 969262722 /nfs/dbraw/zinc/26/27/22/969262722.db2.gz JSTQJHUPBBRLDG-CYBMUJFWSA-N 2 0 246.358 1.215 20 0 BDADRP CCOC(C)(C)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001209077969 969350141 /nfs/dbraw/zinc/35/01/41/969350141.db2.gz UXMJFCHCSGJBFT-CQSZACIVSA-N 2 0 240.391 1.829 20 0 BDADRP CN1CCC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169095723 969383972 /nfs/dbraw/zinc/38/39/72/969383972.db2.gz SBEMULHCOIGAJT-XDQVBPFNSA-N 2 0 237.391 1.295 20 0 BDADRP CSCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169093018 969387919 /nfs/dbraw/zinc/38/79/19/969387919.db2.gz DWMMZQFDISMOQQ-CNDDSTCGSA-N 2 0 228.405 1.954 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1cnccn1)C2 ZINC001169098926 969392966 /nfs/dbraw/zinc/39/29/66/969392966.db2.gz MMKWQFDWNSZAMB-BTTYYORXSA-N 2 0 246.358 1.234 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1ccccn1)C2 ZINC001169077911 969395255 /nfs/dbraw/zinc/39/52/55/969395255.db2.gz BLSHPKCYCQOKPC-QDMKHBRRSA-N 2 0 245.370 1.839 20 0 BDADRP COC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)C ZINC001169079135 969395334 /nfs/dbraw/zinc/39/53/34/969395334.db2.gz JBVYLZGLLCQPLO-CRWXNKLISA-N 2 0 240.391 1.872 20 0 BDADRP CC[NH+](CC)CCCC[NH2+]C[C@@H](O)C(C)C ZINC001253777858 969399854 /nfs/dbraw/zinc/39/98/54/969399854.db2.gz VGQBHFJPNSKABW-CYBMUJFWSA-N 2 0 230.396 1.715 20 0 BDADRP COC[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169078357 969400573 /nfs/dbraw/zinc/40/05/73/969400573.db2.gz DKTIHLPDDWBLLX-WISYIIOYSA-N 2 0 212.337 1.236 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@H](O)C1)C2 ZINC001169082318 969401536 /nfs/dbraw/zinc/40/15/36/969401536.db2.gz YOZYXSMGICOMPV-WJTVCTBASA-N 2 0 224.348 1.115 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(C)COC1)C2 ZINC001169080937 969402750 /nfs/dbraw/zinc/40/27/50/969402750.db2.gz NXCLQEIDUARVRV-CNDDSTCGSA-N 2 0 224.348 1.238 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H]1CCCCO1)C2 ZINC001169091473 969408526 /nfs/dbraw/zinc/40/85/26/969408526.db2.gz RWSTUJCCYRSBHP-YIYPIFLZSA-N 2 0 238.375 1.770 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@]1(C)CCOC1)C2 ZINC001169119310 969413729 /nfs/dbraw/zinc/41/37/29/969413729.db2.gz RASPPVHCKIYMGH-YVECIDJPSA-N 2 0 224.348 1.380 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H]1CCC[C@@H]1[NH3+])C2 ZINC001169124339 969420683 /nfs/dbraw/zinc/42/06/83/969420683.db2.gz PPXQENUNSYJKMO-IEECTRCBSA-N 2 0 223.364 1.081 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@H](O)C1)C2 ZINC001169125353 969425221 /nfs/dbraw/zinc/42/52/21/969425221.db2.gz ZQTKBZZXHCFVJQ-RNJOBUHISA-N 2 0 224.348 1.068 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@H](O)C1)C2 ZINC001169125354 969425424 /nfs/dbraw/zinc/42/54/24/969425424.db2.gz ZQTKBZZXHCFVJQ-YVECIDJPSA-N 2 0 224.348 1.068 20 0 BDADRP COC[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169124925 969428554 /nfs/dbraw/zinc/42/85/54/969428554.db2.gz HDVTWVTYNWWWPY-MQYQWHSLSA-N 2 0 238.375 1.580 20 0 BDADRP C[C@@H]1C[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[C@H]1O ZINC001169126722 969432430 /nfs/dbraw/zinc/43/24/30/969432430.db2.gz WZGBSMVVZCKLGF-PEBLQZBPSA-N 2 0 238.375 1.314 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@](C)(O)C1)C2 ZINC001169127137 969432531 /nfs/dbraw/zinc/43/25/31/969432531.db2.gz ZYTKEHUATOLYML-LOWDOPEQSA-N 2 0 224.348 1.068 20 0 BDADRP COCC1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169126308 969434395 /nfs/dbraw/zinc/43/43/95/969434395.db2.gz RMFQBQYNPZRNCH-ITGUQSILSA-N 2 0 224.348 1.190 20 0 BDADRP C[C@H]1CC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169126787 969434632 /nfs/dbraw/zinc/43/46/32/969434632.db2.gz XPKOHCMWHSJTIP-WUHRBBMRSA-N 2 0 208.349 1.953 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(COC3)C1)C2 ZINC001169131668 969437312 /nfs/dbraw/zinc/43/73/12/969437312.db2.gz XOHNVLJOBATELO-CLLJXQQHSA-N 2 0 236.359 1.334 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)C2 ZINC001169111360 969443140 /nfs/dbraw/zinc/44/31/40/969443140.db2.gz OZIIYFKESFVPLC-HTVCTNPSSA-N 2 0 237.391 1.471 20 0 BDADRP CC(C)[C@@H](CCO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169107427 969445447 /nfs/dbraw/zinc/44/54/47/969445447.db2.gz GMWZRWSJVLPFRM-YIYPIFLZSA-N 2 0 240.391 1.608 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1CCC[C@H]([NH3+])C1)C2 ZINC001169111361 969448365 /nfs/dbraw/zinc/44/83/65/969448365.db2.gz OZIIYFKESFVPLC-YHQUGGNUSA-N 2 0 237.391 1.471 20 0 BDADRP C[C@@H]1C[C@H](O)CC[N@@H+]1[C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169142175 969455545 /nfs/dbraw/zinc/45/55/45/969455545.db2.gz AJBVOQUIMZROFI-PEBLQZBPSA-N 2 0 238.375 1.457 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)C2 ZINC001169114090 969458933 /nfs/dbraw/zinc/45/89/33/969458933.db2.gz WQQMHYKTLKRCPD-NZEXEKPDSA-N 2 0 238.375 1.361 20 0 BDADRP C[N@H+](CC1COC1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169148829 969460571 /nfs/dbraw/zinc/46/05/71/969460571.db2.gz ZYJMVZQJQAIFLE-CLLJXQQHSA-N 2 0 224.348 1.190 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1C[C@@H]3C[C@H]1CO3)C2 ZINC001169143092 969468673 /nfs/dbraw/zinc/46/86/73/969468673.db2.gz XMNYLNKANZBLTO-PPCPHDFISA-N 2 0 222.332 1.085 20 0 BDADRP CN(CCC[NH+]1CCCCC1)CC[NH+](C)C ZINC001209448663 969517692 /nfs/dbraw/zinc/51/76/92/969517692.db2.gz XJNREHPTAMAFMV-UHFFFAOYSA-N 2 0 227.396 1.356 20 0 BDADRP CCN(CCC[NH+](C)C)C1CC[NH+](CC)CC1 ZINC001169261713 969519282 /nfs/dbraw/zinc/51/92/82/969519282.db2.gz MJTFELRVSRRMMA-UHFFFAOYSA-N 2 0 241.423 1.744 20 0 BDADRP CC[NH+]1CCC(N2CCCC23COC3)CC1 ZINC001169258065 969542700 /nfs/dbraw/zinc/54/27/00/969542700.db2.gz ABKDHYWUFUBNFQ-UHFFFAOYSA-N 2 0 224.348 1.336 20 0 BDADRP CCOC1CC[NH+](C2CCN(CC)CC2)CC1 ZINC001169255308 969544596 /nfs/dbraw/zinc/54/45/96/969544596.db2.gz PIWUHHKOYKOSTM-UHFFFAOYSA-N 2 0 240.391 1.972 20 0 BDADRP Nc1cc[nH+]cc1CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC001209730791 969586252 /nfs/dbraw/zinc/58/62/52/969586252.db2.gz IVMOLEDSYNFVSV-ZDUSSCGKSA-N 2 0 246.358 1.164 20 0 BDADRP C[N@@H+]1CC[C@]2(CCN(Cc3c[nH+]ccc3N)C2)C1 ZINC001209737409 969598792 /nfs/dbraw/zinc/59/87/92/969598792.db2.gz NJNZRNWOEHGQKN-AWEZNQCLSA-N 2 0 246.358 1.022 20 0 BDADRP CC[N@H+]1C[C@@H]2C[NH+]([C@@H]3CCCOC3)C[C@@H]2C1 ZINC001254387171 969603649 /nfs/dbraw/zinc/60/36/49/969603649.db2.gz GAFSOMOHYBUBIX-FRRDWIJNSA-N 2 0 224.348 1.049 20 0 BDADRP C[NH+]1CCC2(C[NH+]([C@H]3CCCOC3)C2)CC1 ZINC001254386396 969603916 /nfs/dbraw/zinc/60/39/16/969603916.db2.gz PZFDWXKKWDRXEO-LBPRGKRZSA-N 2 0 224.348 1.193 20 0 BDADRP CN(CC[NH3+])CC[NH2+]C1CCC2(CC2)CC1 ZINC001254436928 969626399 /nfs/dbraw/zinc/62/63/99/969626399.db2.gz YCAWQPMGXPVUQL-UHFFFAOYSA-N 2 0 225.380 1.189 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+]C2CC3(COC3)C2)CC1 ZINC001254504011 969665646 /nfs/dbraw/zinc/66/56/46/969665646.db2.gz QHJBRRMADUGHRV-NSHDSACASA-N 2 0 224.348 1.239 20 0 BDADRP CCCN(CCC[NH3+])[C@H]1CCC[N@H+](C)CC1 ZINC001254501040 969666918 /nfs/dbraw/zinc/66/69/18/969666918.db2.gz PKAHMJBEEQHYEV-ZDUSSCGKSA-N 2 0 227.396 1.532 20 0 BDADRP C[N@@H+]1CCC[C@H](N(CC[NH3+])c2cccnc2)CC1 ZINC001254503653 969668969 /nfs/dbraw/zinc/66/89/69/969668969.db2.gz OJLNRGPZKDOGKW-ZDUSSCGKSA-N 2 0 248.374 1.331 20 0 BDADRP CO[C@H]1CCC[N@@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254515767 969679903 /nfs/dbraw/zinc/67/99/03/969679903.db2.gz CMVSBJUPGULHHZ-STQMWFEESA-N 2 0 226.364 1.582 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH+]2CCC[C@H](O)CC2)CC1 ZINC001254516461 969691264 /nfs/dbraw/zinc/69/12/64/969691264.db2.gz MPMTZMSEJRHHLA-OLZOCXBDSA-N 2 0 226.364 1.318 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+]CCOc2ccncc2)CC1 ZINC001254515331 969691509 /nfs/dbraw/zinc/69/15/09/969691509.db2.gz WEYLHJWDHFQLBK-ZDUSSCGKSA-N 2 0 249.358 1.534 20 0 BDADRP C[N@H+](C1CCOCC1)[C@@H]1CCC[NH+](C)CC1 ZINC001254516834 969701943 /nfs/dbraw/zinc/70/19/43/969701943.db2.gz QKRUQKRHTWAWIY-GFCCVEGCSA-N 2 0 226.364 1.582 20 0 BDADRP Cc1cc(N)[nH+]cc1Nc1cc[nH+]cc1 ZINC001209961792 969722015 /nfs/dbraw/zinc/72/20/15/969722015.db2.gz NARMKNGMLRPDAO-UHFFFAOYSA-N 2 0 200.245 1.533 20 0 BDADRP [NH3+]CCc1cnn([C@H]2CC3CC[NH+](CC3)C2)c1 ZINC001254841173 969801745 /nfs/dbraw/zinc/80/17/45/969801745.db2.gz UJULXMWLTPHVAJ-ZDUSSCGKSA-N 2 0 234.347 1.041 20 0 BDADRP C[C@H]([NH3+])c1ccc(-n2ccc(C[NH3+])c2)cn1 ZINC001169726645 969820449 /nfs/dbraw/zinc/82/04/49/969820449.db2.gz AMNJEDUAUXGECY-VIFPVBQESA-N 2 0 216.288 1.351 20 0 BDADRP c1ccc([C@@H]2CNCC[N@H+]2CCC2C[NH2+]C2)cc1 ZINC001210197127 969829810 /nfs/dbraw/zinc/82/98/10/969829810.db2.gz VYXZANXHPOZFEZ-HNNXBMFYSA-N 2 0 245.370 1.242 20 0 BDADRP c1ccc([C@@H]2C[NH2+]CCN2C[C@@H]2CCC[NH2+]2)cc1 ZINC001210196976 969830225 /nfs/dbraw/zinc/83/02/25/969830225.db2.gz TYGVBJOEXWCUDR-GJZGRUSLSA-N 2 0 245.370 1.385 20 0 BDADRP C[C@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001210476003 969899308 /nfs/dbraw/zinc/89/93/08/969899308.db2.gz QTLJQMJQCUVQPT-QWHCGFSZSA-N 3 0 225.380 1.060 20 0 BDADRP C[NH+](C)CCC(C)(C)[NH2+][C@H]1CCSC1 ZINC001255271789 970011734 /nfs/dbraw/zinc/01/17/34/970011734.db2.gz IOCHGRKVKDSVFG-JTQLQIEISA-N 2 0 216.394 1.812 20 0 BDADRP CC(C)[N@H+](CCC[NH3+])[C@@H]1CCSC1 ZINC001255268468 970016506 /nfs/dbraw/zinc/01/65/06/970016506.db2.gz KJXUJPRSRUPLNK-SNVBAGLBSA-N 2 0 202.367 1.551 20 0 BDADRP c1cc(N2CC[NH+]([C@H]3CCSC3)CC2)cc[nH+]1 ZINC001255279868 970032387 /nfs/dbraw/zinc/03/23/87/970032387.db2.gz QIOYKONBSOLQFQ-ZDUSSCGKSA-N 2 0 249.383 1.709 20 0 BDADRP CCN1CCC([N@H+](C)[C@H]2CCSC2)CC1 ZINC001255289985 970048678 /nfs/dbraw/zinc/04/86/78/970048678.db2.gz UUEJMEVUSVAZEB-LBPRGKRZSA-N 2 0 228.405 1.908 20 0 BDADRP CCCC[C@@H](C)[NH+]1CCN(CC[NH3+])CC1 ZINC001255313504 970081164 /nfs/dbraw/zinc/08/11/64/970081164.db2.gz MXMYCZCFKYYUQM-GFCCVEGCSA-N 2 0 213.369 1.141 20 0 BDADRP CC(C)CCC[C@H](C)[NH2+]CCN(C)CC[NH3+] ZINC001170064046 970127597 /nfs/dbraw/zinc/12/75/97/970127597.db2.gz KNALAVMGUKVUKE-ZDUSSCGKSA-N 2 0 229.412 1.681 20 0 BDADRP CN1CC[C@@H]([NH2+]Cc2ccc(C[NH+](C)C)cc2)C1 ZINC001255411426 970128423 /nfs/dbraw/zinc/12/84/23/970128423.db2.gz ITVXDHNGTGUOFO-OAHLLOKOSA-N 2 0 247.386 1.542 20 0 BDADRP C[N@@H+]1CC[C@H](N2C(C)(C)CC([NH3+])CC2(C)C)C1 ZINC001255410817 970131394 /nfs/dbraw/zinc/13/13/94/970131394.db2.gz BGEHDYBIPLNYDV-LBPRGKRZSA-N 2 0 239.407 1.671 20 0 BDADRP CCCC[N@H+](CC)CCN[C@@H]1CC[NH+](C)C1 ZINC001255412139 970132497 /nfs/dbraw/zinc/13/24/97/970132497.db2.gz LLCPZINSDLWQCX-CYBMUJFWSA-N 2 0 227.396 1.402 20 0 BDADRP C[N@@H+]1CC[C@H](n2ncc3cccc(C[NH3+])c32)C1 ZINC001255417736 970139536 /nfs/dbraw/zinc/13/95/36/970139536.db2.gz OVHVOHGAXQLWSG-LBPRGKRZSA-N 2 0 230.315 1.372 20 0 BDADRP C[N@@H+]1CC[C@H](N2CCC([NH+]3CCCC3)CC2)C1 ZINC001255433337 970159674 /nfs/dbraw/zinc/15/96/74/970159674.db2.gz YOLYYEGRCCFBFT-AWEZNQCLSA-N 2 0 237.391 1.251 20 0 BDADRP CC(C)[C@H]1[NH2+]CCc2ncn([C@@H]3CC[N@H+](C)C3)c21 ZINC001255444529 970180524 /nfs/dbraw/zinc/18/05/24/970180524.db2.gz MUYNXENSNLSPDS-DGCLKSJQSA-N 2 0 248.374 1.603 20 0 BDADRP C[C@@H]([NH3+])c1nccn1[C@H]1CCC[N@H+](C)C1 ZINC001255466200 970193310 /nfs/dbraw/zinc/19/33/10/970193310.db2.gz IYDRKRMTTOCQGP-ZJUUUORDSA-N 2 0 208.309 1.170 20 0 BDADRP C[N@@H+]1CCC[C@@H](N2CC[C@@H]([NH3+])c3ccccc32)C1 ZINC001255472333 970201937 /nfs/dbraw/zinc/20/19/37/970201937.db2.gz UGGLZQBWUWDNFR-TZMCWYRMSA-N 2 0 245.370 1.991 20 0 BDADRP COc1ccc(N[C@H]2CCC[N@H+](C)C2)cc1C[NH3+] ZINC001255476922 970211978 /nfs/dbraw/zinc/21/19/78/970211978.db2.gz HWPHHAWLAMRSCO-ZDUSSCGKSA-N 2 0 249.358 1.660 20 0 BDADRP COc1ccc(N[C@@H]2CCC[N@H+](C)C2)cc1C[NH3+] ZINC001255476921 970213703 /nfs/dbraw/zinc/21/37/03/970213703.db2.gz HWPHHAWLAMRSCO-CYBMUJFWSA-N 2 0 249.358 1.660 20 0 BDADRP CCN(CC[NH+](CC)CC)[C@@H]1CCC[N@H+](C)C1 ZINC001255486696 970239869 /nfs/dbraw/zinc/23/98/69/970239869.db2.gz NWXKBEXXSPUSCF-CQSZACIVSA-N 2 0 241.423 1.744 20 0 BDADRP C[N@@H+]1CCC[C@H](n2ccnc2[C@@H]2CCC[NH2+]C2)C1 ZINC001255490381 970242823 /nfs/dbraw/zinc/24/28/23/970242823.db2.gz VGCDZLJLVKEJHP-OLZOCXBDSA-N 2 0 248.374 1.617 20 0 BDADRP CC[NH+](CC)CCN(CC[NH3+])[C@@H]1CC[C@H](C)C1 ZINC001170102095 970297303 /nfs/dbraw/zinc/29/73/03/970297303.db2.gz RHURFUAJQHZYFE-UONOGXRCSA-N 2 0 241.423 1.778 20 0 BDADRP CC[NH+](CC)CCNC(=[NH2+])N[C@@H]1CC[C@H](C)C1 ZINC001170125383 970374274 /nfs/dbraw/zinc/37/42/74/970374274.db2.gz LHLXPCXCIXAVLL-NWDGAFQWSA-N 2 0 240.395 1.631 20 0 BDADRP COC(=O)[C@@H](C[NH3+])C[NH2+]C1CCCCCC1 ZINC001255881623 970543585 /nfs/dbraw/zinc/54/35/85/970543585.db2.gz RFNAOIDRTFPTCG-JTQLQIEISA-N 2 0 228.336 1.047 20 0 BDADRP CSC[C@@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000400072209 970551814 /nfs/dbraw/zinc/55/18/14/970551814.db2.gz HZDDYAZZVUXTIY-WOPDTQHZSA-N 2 0 228.405 1.669 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]CC[C@@H](C)O ZINC001255950742 970564722 /nfs/dbraw/zinc/56/47/22/970564722.db2.gz KOSJEKZFTWJVBI-NWDGAFQWSA-N 2 0 216.369 1.467 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]CC1(O)CC1 ZINC001255941688 970568190 /nfs/dbraw/zinc/56/81/90/970568190.db2.gz XCGYQVARORYCFR-LLVKDONJSA-N 2 0 214.353 1.221 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]CCCCCO ZINC001255940465 970569205 /nfs/dbraw/zinc/56/92/05/970569205.db2.gz YSHNMOWCHSHHFL-ZDUSSCGKSA-N 2 0 230.396 1.859 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]C1CC(CO)C1 ZINC001255942066 970576485 /nfs/dbraw/zinc/57/64/85/970576485.db2.gz BTZLDEIDDZQBCT-HIFPTAJRSA-N 2 0 228.380 1.467 20 0 BDADRP CC[NH+](CC)CC[C@H](C)[NH2+]CCC1COC1 ZINC001255945455 970576636 /nfs/dbraw/zinc/57/66/36/970576636.db2.gz GDDRGXGVKNDXAQ-LBPRGKRZSA-N 2 0 228.380 1.733 20 0 BDADRP C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1cnn(C)c1 ZINC000400344490 970581432 /nfs/dbraw/zinc/58/14/32/970581432.db2.gz GSKOGOUXPFHZBL-QWRGUYRKSA-N 2 0 236.363 1.459 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N1CC[C@H]([NH+](C)C)C1 ZINC001255955475 970588295 /nfs/dbraw/zinc/58/82/95/970588295.db2.gz UQJMTMWUZKYWPY-KGLIPLIRSA-N 2 0 241.423 1.743 20 0 BDADRP C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000400433555 970590163 /nfs/dbraw/zinc/59/01/63/970590163.db2.gz LWKMFYRSOSEMJU-GVXVVHGQSA-N 2 0 226.364 1.532 20 0 BDADRP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1ncc[nH]1 ZINC000400434265 970590043 /nfs/dbraw/zinc/59/00/43/970590043.db2.gz MCKRTDOHABSPNU-NXEZZACHSA-N 2 0 222.336 1.448 20 0 BDADRP CCn1cc(C[NH2+][C@@H](C)C2CC[NH2+]CC2)cn1 ZINC000400503233 970597350 /nfs/dbraw/zinc/59/73/50/970597350.db2.gz JEINBHLDKQEKAX-NSHDSACASA-N 2 0 236.363 1.381 20 0 BDADRP CC[C@H]1C[C@H]([N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CCO1 ZINC001170235519 970608220 /nfs/dbraw/zinc/60/82/20/970608220.db2.gz MZYBPFXTWKDSOJ-RQJABVFESA-N 2 0 238.375 1.437 20 0 BDADRP COC(=O)[C@H]1CCC[C@@H]([NH2+]CCCC[NH3+])C1 ZINC000304625856 970624789 /nfs/dbraw/zinc/62/47/89/970624789.db2.gz PXEGVUCLVUHOTG-WDEREUQCSA-N 2 0 228.336 1.047 20 0 BDADRP C1=CO[C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000400922918 970648968 /nfs/dbraw/zinc/64/89/68/970648968.db2.gz GKYZNFGLPFEGRR-FQUUOJAGSA-N 2 0 236.359 1.657 20 0 BDADRP C[NH+](C)Cc1cccc(NCC2C[NH+](C)C2)n1 ZINC001170252555 970657626 /nfs/dbraw/zinc/65/76/26/970657626.db2.gz ACDBTCYHIOXXGJ-UHFFFAOYSA-N 2 0 234.347 1.117 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(F)F ZINC000401093704 970658847 /nfs/dbraw/zinc/65/88/47/970658847.db2.gz WHRHTSYMMRAYFV-QCLAVDOMSA-N 2 0 218.291 1.618 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ncc[nH]1 ZINC000401118613 970660419 /nfs/dbraw/zinc/66/04/19/970660419.db2.gz IWIDAJDCWBMVNC-NNYUYHANSA-N 2 0 234.347 1.448 20 0 BDADRP CN1CCC([NH+]2CC3(C2)CC[NH+](C)CC3)CC1 ZINC001256211235 970716634 /nfs/dbraw/zinc/71/66/34/970716634.db2.gz SKPYCWAVRNWRRP-UHFFFAOYSA-N 3 0 237.391 1.108 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CO[C@H](C)C2)C1 ZINC000401868002 970744456 /nfs/dbraw/zinc/74/44/56/970744456.db2.gz AEFOSSZTUWHUGF-UPJWGTAASA-N 2 0 226.364 1.484 20 0 BDADRP [NH3+]CC1(F)CC[NH+](Cc2cc[nH]c(=O)c2)CC1 ZINC001222532342 972550060 /nfs/dbraw/zinc/55/00/60/972550060.db2.gz KVFFYYOLQNIXOJ-UHFFFAOYSA-N 2 0 239.294 1.050 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222533439 972551149 /nfs/dbraw/zinc/55/11/49/972551149.db2.gz ZHHNGIMQFMKEJK-NXEZZACHSA-N 2 0 200.301 1.405 20 0 BDADRP Cn1cncc1CO[C@@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001222600604 972600391 /nfs/dbraw/zinc/60/03/91/972600391.db2.gz RWQRRYBLJIQFRP-DABQJJPHSA-N 2 0 249.358 1.667 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@](F)(C[NH3+])CC2)CC[NH2+]1 ZINC001246545289 972630746 /nfs/dbraw/zinc/63/07/46/972630746.db2.gz ASNPHBOTKZCUNO-UPJWGTAASA-N 3 0 243.370 1.280 20 0 BDADRP C[C@H]1CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1C[NH3+] ZINC001246547363 972672645 /nfs/dbraw/zinc/67/26/45/972672645.db2.gz CSWRJCXTBNEPDD-IZXDZPFWSA-N 2 0 237.391 1.186 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@](C)(O)C2)CC[NH2+]1 ZINC001246548268 972682462 /nfs/dbraw/zinc/68/24/62/972682462.db2.gz JYPVBDCPYCPAND-AGIUHOORSA-N 2 0 226.364 1.364 20 0 BDADRP C[N@@H+]1CCC[C@H](N2CCC[C@H]([NH3+])CC2)CC1 ZINC001246550979 972721399 /nfs/dbraw/zinc/72/13/99/972721399.db2.gz ZOHNJRWPGCCYDB-STQMWFEESA-N 2 0 225.380 1.284 20 0 BDADRP C[C@H]1C[C@@H]([N@@H+]2CCC[C@](F)(C[NH3+])CC2)CCO1 ZINC001246554135 972743003 /nfs/dbraw/zinc/74/30/03/972743003.db2.gz BFXKEIXTBAJZEP-RWMBFGLXSA-N 2 0 244.354 1.707 20 0 BDADRP CC[C@@H]1C[C@@H](N2CC[NH2+]CC[C@@H]2C)CC[NH2+]1 ZINC001246553605 972751259 /nfs/dbraw/zinc/75/12/59/972751259.db2.gz TUUPVXBAIJDCNX-XQQFMLRXSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H]1C[C@@H](N2CCC[C@@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246556105 972759293 /nfs/dbraw/zinc/75/92/93/972759293.db2.gz YKIHAHFHOBAKJM-FRRDWIJNSA-N 2 0 225.380 1.330 20 0 BDADRP C[C@@H]1C[C@@H](N2CCCC[C@@H]([NH3+])C2)C[C@H](C)[NH2+]1 ZINC001246557867 972774520 /nfs/dbraw/zinc/77/45/20/972774520.db2.gz JGABZOMRHPUPLW-YVECIDJPSA-N 2 0 225.380 1.329 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+]Cc1ccc2c(c1)C[NH2+]CC2 ZINC001327888791 972787897 /nfs/dbraw/zinc/78/78/97/972787897.db2.gz LRDNUISDLNBXFF-GFCCVEGCSA-N 3 0 247.386 1.420 20 0 BDADRP C[C@@H]1CC[C@H](N2C[C@@H](C[NH3+])CC[C@H]2C)C[NH2+]1 ZINC001246587609 972980441 /nfs/dbraw/zinc/98/04/41/972980441.db2.gz HUCIJIYJAWAYTG-LPWJVIDDSA-N 2 0 225.380 1.186 20 0 BDADRP C1C[C@H]2CC(N3CC[C@]4(C3)CCCC[NH2+]4)C[C@@H]1[NH2+]2 ZINC001246619656 973036734 /nfs/dbraw/zinc/03/67/34/973036734.db2.gz INZVJMGTIZYTQS-IXXDHKBRSA-N 2 0 249.402 1.487 20 0 BDADRP CO[C@H]1CCC[C@H]([N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)C1 ZINC001246637730 973053458 /nfs/dbraw/zinc/05/34/58/973053458.db2.gz JAMYRKQKNUTUBY-WUHRBBMRSA-N 2 0 224.348 1.380 20 0 BDADRP C[C@H]1CC(N2C[C@H]3CCC[C@@]3([NH3+])C2)C[C@H](C)[NH2+]1 ZINC001246660249 973066813 /nfs/dbraw/zinc/06/68/13/973066813.db2.gz CTJYFWWDPXBBEW-CIQGVGRVSA-N 2 0 237.391 1.329 20 0 BDADRP C[C@@H]1CC(N2C[C@H]3CCC[C@@]3([NH3+])C2)C[C@@H](C)[NH2+]1 ZINC001246660266 973067519 /nfs/dbraw/zinc/06/75/19/973067519.db2.gz CTJYFWWDPXBBEW-HKUMRIAESA-N 2 0 237.391 1.329 20 0 BDADRP C1CC2(C[NH2+]1)CCC(N1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC001246673305 973080491 /nfs/dbraw/zinc/08/04/91/973080491.db2.gz JUSIWJILTRKFME-DGKWVBSXSA-N 2 0 249.402 1.345 20 0 BDADRP CC(C)[C@H]1C[C@H](N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC001246676134 973081982 /nfs/dbraw/zinc/08/19/82/973081982.db2.gz YUGGTXHSZFIQGM-XJFOESAGSA-N 2 0 237.391 1.199 20 0 BDADRP Cc1ccc2c(c1)C[C@H](N(CC[NH3+])CC[NH3+])CC2 ZINC001246831279 973131775 /nfs/dbraw/zinc/13/17/75/973131775.db2.gz MTAYCKSYZRTSOD-OAHLLOKOSA-N 2 0 247.386 1.072 20 0 BDADRP C[C@@H]1CC(N2CC3(C2)CCCC[NH2+]3)C[C@@H](C)[NH2+]1 ZINC001246831786 973132815 /nfs/dbraw/zinc/13/28/15/973132815.db2.gz FLWSRIGJJMMUBX-VXGBXAGGSA-N 2 0 237.391 1.343 20 0 BDADRP CC[C@@H]1C[C@H](N2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])CC[NH2+]1 ZINC001246841081 973136970 /nfs/dbraw/zinc/13/69/70/973136970.db2.gz LXDFVNURPTYMIM-XVIXHAIJSA-N 2 0 237.391 1.186 20 0 BDADRP c1cn([C@H]2CCC[NH2+]C2)c([C@@H]2CCC[NH2+]C2)n1 ZINC001246849751 973150675 /nfs/dbraw/zinc/15/06/75/973150675.db2.gz RWFILFDKAPTDKG-NEPJUHHUSA-N 2 0 234.347 1.275 20 0 BDADRP C[C@H]1C[C@H]([NH+]2CC3(C2)CCC[NH2+]CC3)CC[NH2+]1 ZINC001246853840 973158634 /nfs/dbraw/zinc/15/86/34/973158634.db2.gz LRTGHJFATGHKJC-QWHCGFSZSA-N 3 0 237.391 1.202 20 0 BDADRP CC(C)COCC[C@H](C)[N@@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001246854624 973175622 /nfs/dbraw/zinc/17/56/22/973175622.db2.gz QLSDCLYMDWMWMO-MJBXVCDLSA-N 2 0 240.391 1.861 20 0 BDADRP CC1(C)C[C@H](N2C[C@H]3CC[C@@H](C2)[NH2+]C3)CC[NH2+]1 ZINC001246864118 973182806 /nfs/dbraw/zinc/18/28/06/973182806.db2.gz HZMURUAWCPKTEV-RWMBFGLXSA-N 2 0 237.391 1.201 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N2C[C@H](C)[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC001246868881 973224178 /nfs/dbraw/zinc/22/41/78/973224178.db2.gz CDESFGKOMOVWOY-XUXIUFHCSA-N 2 0 239.407 1.445 20 0 BDADRP C1[NH2+]CC12C[C@@H]([NH+]1C[C@@H]3CCCC[C@H]3C1)CCN2 ZINC001246892894 973340424 /nfs/dbraw/zinc/34/04/24/973340424.db2.gz JRXIIDJVGGWVAL-IHRRRGAJSA-N 2 0 249.402 1.202 20 0 BDADRP C1CC1[NH2+][C@H]1CCCN([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC001246914484 973446920 /nfs/dbraw/zinc/44/69/20/973446920.db2.gz CJWPUSGQWJXILM-MYZSUADSSA-N 2 0 249.402 1.201 20 0 BDADRP C1[C@@H]2CC[NH2+]CC[C@@H]2C[N@H+]1[C@H]1CCCOC1 ZINC001246928578 973577513 /nfs/dbraw/zinc/57/75/13/973577513.db2.gz AOOUNCXAFIAAPF-XQQFMLRXSA-N 2 0 224.348 1.097 20 0 BDADRP CC(C)(C)[C@H]1C[C@@H](N2C[C@@H]3C[NH2+][C@@H]3C2)CC[NH2+]1 ZINC001246930188 973578346 /nfs/dbraw/zinc/57/83/46/973578346.db2.gz IJJQUWNYESLKPC-WUHRBBMRSA-N 2 0 237.391 1.057 20 0 BDADRP C1[C@@H]2CC[NH2+]CC[C@@H]2C[N@H+]1C1CCOCC1 ZINC001246934344 973604184 /nfs/dbraw/zinc/60/41/84/973604184.db2.gz USLJCUDHTWVZKO-TXEJJXNPSA-N 2 0 224.348 1.097 20 0 BDADRP C[C@H]1C[C@H](N2CC[NH2+][C@H](c3ccccc3)C2)C[NH2+]1 ZINC001246947064 973651872 /nfs/dbraw/zinc/65/18/72/973651872.db2.gz TXGSZYRBVREYNM-QEJZJMRPSA-N 2 0 245.370 1.383 20 0 BDADRP C[C@H]1C[C@@H](N2CC[NH2+][C@H](c3ccccc3)C2)C[NH2+]1 ZINC001246947063 973653236 /nfs/dbraw/zinc/65/32/36/973653236.db2.gz TXGSZYRBVREYNM-CFVMTHIKSA-N 2 0 245.370 1.383 20 0 BDADRP CC(C)[N@@H+]1CC[C@H](OCC2CC[NH+](C)CC2)C1 ZINC001224455781 973658540 /nfs/dbraw/zinc/65/85/40/973658540.db2.gz WDBWIDYEYRHOSJ-AWEZNQCLSA-N 2 0 240.391 1.828 20 0 BDADRP CC[NH+]1CCC(OC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001224821121 974005031 /nfs/dbraw/zinc/00/50/31/974005031.db2.gz ZKPZXWIMOKUXBH-LBPRGKRZSA-N 2 0 226.364 1.582 20 0 BDADRP Cc1cccc2c1CC[C@@H]([NH2+][C@@H]1C[C@H]1N)C2 ZINC001171555982 974097747 /nfs/dbraw/zinc/09/77/47/974097747.db2.gz GEFSCZGSOQGIRN-MRVWCRGKSA-N 2 0 216.328 1.542 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@H]1Cc2cccc(F)c2C1 ZINC001171783040 974174457 /nfs/dbraw/zinc/17/44/57/974174457.db2.gz IRWZGSMIHVUEMT-ONGXEEELSA-N 2 0 222.307 1.477 20 0 BDADRP C[C@H](C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1)C(F)(F)F ZINC001206152768 974233055 /nfs/dbraw/zinc/23/30/55/974233055.db2.gz ARVNSVNSRHGJGT-HRDYMLBCSA-N 2 0 242.260 1.946 20 0 BDADRP N[C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)CC[C@H]1F ZINC001206156165 974338480 /nfs/dbraw/zinc/33/84/80/974338480.db2.gz OKWWGVFFGFRPEH-CHWSQXEVSA-N 2 0 243.370 1.137 20 0 BDADRP N[C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)CC[C@@H]1F ZINC001206156181 974338594 /nfs/dbraw/zinc/33/85/94/974338594.db2.gz OKWWGVFFGFRPEH-QWHCGFSZSA-N 2 0 243.370 1.137 20 0 BDADRP Cn1cc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cn1 ZINC001172099443 974339497 /nfs/dbraw/zinc/33/94/97/974339497.db2.gz HLWAKLYBNPZXDB-BTTYYORXSA-N 2 0 248.374 1.525 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1ccnc1C[NH3+])C2 ZINC001172100771 974346174 /nfs/dbraw/zinc/34/61/74/974346174.db2.gz SUFGYTGBEOJMOU-GDNZZTSVSA-N 2 0 234.347 1.530 20 0 BDADRP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C2([NH3+])CCC2)cc1 ZINC001330619766 974364901 /nfs/dbraw/zinc/36/49/01/974364901.db2.gz VKXZPUWPZSFYPK-NWDGAFQWSA-N 2 0 245.326 1.321 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[C@@H]([NH3+])C1)C2 ZINC001172103760 974365997 /nfs/dbraw/zinc/36/59/97/974365997.db2.gz XMLPJIYEGNAGHA-FVCCEPFGSA-N 2 0 223.364 1.035 20 0 BDADRP C[NH+](C)C1CN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172113627 974378741 /nfs/dbraw/zinc/37/87/41/974378741.db2.gz LCMCLIWNBPCRAI-ITGUQSILSA-N 2 0 237.391 1.248 20 0 BDADRP C[NH+](C)Cc1ccc(O[C@H]2CC[N@H+](C)C2)cc1 ZINC001225330718 974406852 /nfs/dbraw/zinc/40/68/52/974406852.db2.gz OMYPISIFHHATND-AWEZNQCLSA-N 2 0 234.343 1.831 20 0 BDADRP [NH3+]C1CC([NH2+][C@@H]2CSc3ccccc3C2)C1 ZINC001172196142 974483284 /nfs/dbraw/zinc/48/32/84/974483284.db2.gz INUWFOCJRJREJS-MCIGGMRASA-N 2 0 234.368 1.783 20 0 BDADRP C[C@H]1CN(C)CC[C@@H]1[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172235482 974495179 /nfs/dbraw/zinc/49/51/79/974495179.db2.gz BCDBSHGDEXYZMC-WYTNZGFTSA-N 2 0 236.359 1.402 20 0 BDADRP CC[N@H+](CCC[NH+](C)C)C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172246212 974509144 /nfs/dbraw/zinc/50/91/44/974509144.db2.gz ZCRCTXVTEGMYKO-AGUYFDCRSA-N 2 0 238.375 1.746 20 0 BDADRP C[NH2+][C@@H](C)CCNC(=O)C(C)(C)[C@@H]([NH3+])C(C)C ZINC001330880050 974518098 /nfs/dbraw/zinc/51/80/98/974518098.db2.gz OQUASRNSROKMGR-QWRGUYRKSA-N 2 0 243.395 1.110 20 0 BDADRP CC[C@@H](C)OCC[C@@H](C)[NH2+]CCCC[NH3+] ZINC001172314462 974520775 /nfs/dbraw/zinc/52/07/75/974520775.db2.gz CSDIZKDWLXEXGX-VXGBXAGGSA-N 2 0 216.369 1.909 20 0 BDADRP COC(=O)[C@H](C[NH3+])C[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC001172357837 974627337 /nfs/dbraw/zinc/62/73/37/974627337.db2.gz DOPNOYRPESRANX-IRCOFANPSA-N 2 0 242.363 1.149 20 0 BDADRP CCOCC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C)C1 ZINC001172409620 974670313 /nfs/dbraw/zinc/67/03/13/974670313.db2.gz XWMGVRGVPDSLDH-NEPJUHHUSA-N 2 0 214.353 1.343 20 0 BDADRP CCOCC[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC001172409866 974671334 /nfs/dbraw/zinc/67/13/34/974671334.db2.gz ALKCRLYXKFYOHK-CHWSQXEVSA-N 2 0 228.380 1.875 20 0 BDADRP CCOCC[C@@H](C)[N@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001172430616 974712661 /nfs/dbraw/zinc/71/26/61/974712661.db2.gz HVANLNBWCSDLOG-MCIONIFRSA-N 2 0 240.391 1.685 20 0 BDADRP C[NH+](C)CCC[NH2+][C@@H]1CCc2ncsc2C1 ZINC001173120815 975027797 /nfs/dbraw/zinc/02/77/97/975027797.db2.gz IAVWLOLCVBBEDY-SNVBAGLBSA-N 2 0 239.388 1.542 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@@H]1CCc2ncsc2C1 ZINC001173128145 975038854 /nfs/dbraw/zinc/03/88/54/975038854.db2.gz HJZBFCFFMUKCQE-DTWKUNHWSA-N 2 0 225.361 1.185 20 0 BDADRP C[NH2+][C@H](C)CCNC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC001332401105 975095913 /nfs/dbraw/zinc/09/59/13/975095913.db2.gz OKOWZIMKEIGYGX-MNOVXSKESA-N 2 0 249.358 1.434 20 0 BDADRP F[C@@H]1CCC[C@H]([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC001332420450 975104288 /nfs/dbraw/zinc/10/42/88/975104288.db2.gz LJJCXJRMBLIMOU-IPBJVQQVSA-N 2 0 238.350 1.853 20 0 BDADRP [NH3+]Cc1ccc(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001332424654 975113503 /nfs/dbraw/zinc/11/35/03/975113503.db2.gz OEVKTCCEORGBKF-STQMWFEESA-N 2 0 247.342 1.601 20 0 BDADRP CC[C@@H]1CC[C@H]([NH+]2CCN(CC[NH3+])CC2)C1 ZINC001173268619 975135125 /nfs/dbraw/zinc/13/51/25/975135125.db2.gz ZEXTUONBPFMEDD-OLZOCXBDSA-N 2 0 225.380 1.141 20 0 BDADRP CC[C@@H]1CC[C@@H]([NH2+]CCN(C)CC[NH3+])C1 ZINC001173274970 975157518 /nfs/dbraw/zinc/15/75/18/975157518.db2.gz RQYNFZJMHCZJEY-VXGBXAGGSA-N 2 0 213.369 1.045 20 0 BDADRP CCSC[C@H](C)[NH+]1CCN(CCC[NH3+])CC1 ZINC001173291685 975268889 /nfs/dbraw/zinc/26/88/89/975268889.db2.gz PPEABBCBLAAOMJ-LBPRGKRZSA-N 2 0 245.436 1.094 20 0 BDADRP [NH3+]C[C@H](O)C[NH2+][C@@H]1CCCC2(CCCCC2)C1 ZINC001173339306 975285318 /nfs/dbraw/zinc/28/53/18/975285318.db2.gz NMPDYTOHPPLPFH-OLZOCXBDSA-N 2 0 240.391 1.789 20 0 BDADRP CC[N@@H+]1CC[C@@H](n2ccnc2[C@@H](C)[NH3+])C1 ZINC001173347972 975288232 /nfs/dbraw/zinc/28/82/32/975288232.db2.gz KTSHHOSKJYFGIZ-NXEZZACHSA-N 2 0 208.309 1.170 20 0 BDADRP CCN1CC[C@@H]([NH2+]CCCC[NH+]2CCCC2)C1 ZINC001173350115 975297885 /nfs/dbraw/zinc/29/78/85/975297885.db2.gz NWABVYRLQNRUFD-CQSZACIVSA-N 2 0 239.407 1.546 20 0 BDADRP CCN1CC[C@@H]([NH2+]CC23CC[NH+](CC2)CC3)C1 ZINC001173354981 975311485 /nfs/dbraw/zinc/31/14/85/975311485.db2.gz LPSSWWOKRDDLJX-CYBMUJFWSA-N 2 0 237.391 1.156 20 0 BDADRP CC[N@@H+]1CC[C@@H](N2CC[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001173369415 975350275 /nfs/dbraw/zinc/35/02/75/975350275.db2.gz VUBCNKSAHWTDPH-HZSPNIEDSA-N 2 0 237.391 1.249 20 0 BDADRP CCCN(CCC[NH+](C)C)[C@H]1CC[N@H+](CC)C1 ZINC001173366611 975353373 /nfs/dbraw/zinc/35/33/73/975353373.db2.gz ALEPIHOFYNHKQJ-AWEZNQCLSA-N 2 0 241.423 1.744 20 0 BDADRP CCC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH3+] ZINC001332980854 975354058 /nfs/dbraw/zinc/35/40/58/975354058.db2.gz IXTRMRDCJCYOFR-NEPJUHHUSA-N 2 0 241.379 1.057 20 0 BDADRP CC[N@@H+]1CC[C@@H](n2ccnc2[C@H]2CCC[NH2+]C2)C1 ZINC001173371131 975355800 /nfs/dbraw/zinc/35/58/00/975355800.db2.gz KKDJSZILYYJXHD-QWHCGFSZSA-N 2 0 248.374 1.617 20 0 BDADRP COCC(COC)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC001333029091 975379406 /nfs/dbraw/zinc/37/94/06/975379406.db2.gz JQRPISTZVHNJHV-LBPRGKRZSA-N 2 0 244.379 1.064 20 0 BDADRP Cc1cc(CN2CC[C@H]([NH3+])[C@@H](F)CC2)sn1 ZINC001206201564 975385340 /nfs/dbraw/zinc/38/53/40/975385340.db2.gz XJDZYZHNRAICNY-QWRGUYRKSA-N 2 0 243.351 1.713 20 0 BDADRP CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CC([NH3+])C2)C1 ZINC001173638774 975493805 /nfs/dbraw/zinc/49/38/05/975493805.db2.gz ZQWBEQAESDNGLO-QTAHKJALSA-N 2 0 240.347 1.188 20 0 BDADRP CCOC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H](C)C[NH3+])C1 ZINC001173649689 975515380 /nfs/dbraw/zinc/51/53/80/975515380.db2.gz HOVAHLVRTNLCFM-UTUOFQBUSA-N 2 0 242.363 1.293 20 0 BDADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NCCC(C)(C)[NH3+] ZINC001333236963 975587522 /nfs/dbraw/zinc/58/75/22/975587522.db2.gz VUZBHYGJTLRSET-GFCCVEGCSA-N 2 0 249.358 1.238 20 0 BDADRP CN(c1cc[nH+]cc1)c1cc(N)cc[nH+]1 ZINC001173881774 975924836 /nfs/dbraw/zinc/92/48/36/975924836.db2.gz AWRLLLZEEJJXHL-UHFFFAOYSA-N 2 0 200.245 1.827 20 0 BDADRP CC[C@@H](C)[C@](C)(O)C[NH2+]CC1CC[NH+](C)CC1 ZINC001333680872 975989723 /nfs/dbraw/zinc/98/97/23/975989723.db2.gz XKQPSAPPUYJLOX-TZMCWYRMSA-N 2 0 242.407 1.715 20 0 BDADRP Cc1cc(Nc2cnn(CC[NH+](C)C)c2)cc[nH+]1 ZINC001174650783 976936069 /nfs/dbraw/zinc/93/60/69/976936069.db2.gz AIVZGAZNRUQDRO-UHFFFAOYSA-N 2 0 245.330 1.314 20 0 BDADRP C[N@@H+]1CCC[C@H](Oc2ccc3[nH]c(N)[nH+]c3c2)C1 ZINC001230508847 977227934 /nfs/dbraw/zinc/22/79/34/977227934.db2.gz XVHOBXBSVDUBQX-JTQLQIEISA-N 2 0 246.314 1.618 20 0 BDADRP C[N@@H+]1CC[C@H](N2Cc3ccccc3C[C@H]2C[NH3+])C1 ZINC000721641231 977633951 /nfs/dbraw/zinc/63/39/51/977633951.db2.gz NNQNCSGVUAJADH-GJZGRUSLSA-N 2 0 245.370 1.076 20 0 BDADRP COC(C)(C)C[N@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001277584964 977794137 /nfs/dbraw/zinc/79/41/37/977794137.db2.gz XNQXMJGRZFNQFV-BETUJISGSA-N 2 0 240.391 1.685 20 0 BDADRP C[C@@]1(O)CC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232011492 977839434 /nfs/dbraw/zinc/83/94/34/977839434.db2.gz DNNBGJCVWDOJCB-CYBMUJFWSA-N 2 0 231.299 1.520 20 0 BDADRP OC[C@@H]1CC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232013995 977841021 /nfs/dbraw/zinc/84/10/21/977841021.db2.gz FMKSXRXHHGQLQJ-SNVBAGLBSA-N 2 0 231.299 1.377 20 0 BDADRP C[N@@H+]1CC[C@H]2CN(c3cc[nH+]cc3)CC[C@@H]21 ZINC001336934044 978070088 /nfs/dbraw/zinc/07/00/88/978070088.db2.gz RGYHMPQPIGNKKY-AAEUAGOBSA-N 2 0 217.316 1.612 20 0 BDADRP CC(C)(C[NH+]1CCCC1)Nc1nccnc1C[NH3+] ZINC001337186593 978202266 /nfs/dbraw/zinc/20/22/66/978202266.db2.gz TZKSKVOMIPBKAF-UHFFFAOYSA-N 2 0 249.362 1.222 20 0 BDADRP COC(=O)[C@@H](C)C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206292544 978285653 /nfs/dbraw/zinc/28/56/53/978285653.db2.gz CXBYQTQTKJOCRW-AAEUAGOBSA-N 2 0 242.363 1.246 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@H+](CCCCC[NH3+])CC1 ZINC001206293955 978291422 /nfs/dbraw/zinc/29/14/22/978291422.db2.gz IBJCURVKKATKKD-ZDUSSCGKSA-N 3 0 227.396 1.566 20 0 BDADRP C[C@]1(C[NH3+])CCC[N@H+](CC23CC([NH3+])(C2)C3)CC1 ZINC001206295670 978299446 /nfs/dbraw/zinc/29/94/46/978299446.db2.gz MWERIPATCLYAHB-HSBZDZAISA-N 3 0 237.391 1.319 20 0 BDADRP [NH3+]C[C@@]1(F)CCCCN(C[C@@H]2CCCC[NH2+]2)C1 ZINC001206338003 978601944 /nfs/dbraw/zinc/60/19/44/978601944.db2.gz XRMBHLQQZUQIJN-STQMWFEESA-N 2 0 243.370 1.281 20 0 BDADRP CC[C@H](C)[N@@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001277807108 978696143 /nfs/dbraw/zinc/69/61/43/978696143.db2.gz KQVIIKMLSSTFLP-MELADBBJSA-N 2 0 239.407 1.353 20 0 BDADRP CC[NH+](CC)CC(=O)Nc1ccnc2c1CCC2 ZINC001180385361 978870892 /nfs/dbraw/zinc/87/08/92/978870892.db2.gz GPERVRLQFSQVIO-UHFFFAOYSA-N 2 0 247.342 1.273 20 0 BDADRP [NH3+][C@H](CN1CCCC12C[NH2+]C2)c1ccccc1 ZINC001235093471 978974047 /nfs/dbraw/zinc/97/40/47/978974047.db2.gz CDCRBANQOJPDJQ-CYBMUJFWSA-N 2 0 231.343 1.124 20 0 BDADRP C[C@H](N)C[N@@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235151320 978981399 /nfs/dbraw/zinc/98/13/99/978981399.db2.gz GEIBBWIYYJAJNH-AAEUAGOBSA-N 2 0 225.380 1.188 20 0 BDADRP COCCC[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235233059 978998346 /nfs/dbraw/zinc/99/83/46/978998346.db2.gz MWVCSRDAAVCEMW-CQSZACIVSA-N 2 0 240.391 1.877 20 0 BDADRP C([C@@H]1CC[NH2+]1)N1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235230340 978999404 /nfs/dbraw/zinc/99/94/04/978999404.db2.gz AXBJLLAZUAYRKT-UONOGXRCSA-N 2 0 237.391 1.202 20 0 BDADRP C[C@@H]1C[C@H](NC(=O)C[C@@H]([NH3+])C(C)(C)C)CC[NH2+]1 ZINC001340280781 979003431 /nfs/dbraw/zinc/00/34/31/979003431.db2.gz CYQRKKDJISQZFU-GMTAPVOTSA-N 2 0 241.379 1.007 20 0 BDADRP C(C[NH2+]C1CCCCC1)CN1CC[NH2+][C@H]2C[C@H]21 ZINC001235284367 979016340 /nfs/dbraw/zinc/01/63/40/979016340.db2.gz LKYPIBDABOLHSB-UONOGXRCSA-N 2 0 237.391 1.345 20 0 BDADRP [NH3+][C@@H]1C[C@H](F)CN(Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC001206445358 979021974 /nfs/dbraw/zinc/02/19/74/979021974.db2.gz ONOSAXACCYJJJN-UONOGXRCSA-N 2 0 249.333 1.161 20 0 BDADRP CC(C)[C@@H]1C[N@H+](CCC23CC([NH3+])(C2)C3)CCN1 ZINC001235472736 979052133 /nfs/dbraw/zinc/05/21/33/979052133.db2.gz KGJWTZJETXUOMP-HSBZDZAISA-N 2 0 237.391 1.188 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)C[C@H]([NH3+])C(C)(C)C ZINC001340692986 979066354 /nfs/dbraw/zinc/06/63/54/979066354.db2.gz VRHAWHBOHZBVPL-VWYCJHECSA-N 2 0 241.379 1.088 20 0 BDADRP CO[C@@H](C)C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC001181426740 979085258 /nfs/dbraw/zinc/08/52/58/979085258.db2.gz COHFQUYKBGOWFC-LBPRGKRZSA-N 2 0 228.380 1.733 20 0 BDADRP C[NH2+]CCCCC(=O)NC1(C[NH3+])CCCCC1 ZINC001340768154 979099642 /nfs/dbraw/zinc/09/96/42/979099642.db2.gz KMJZPMIHXJAKSU-UHFFFAOYSA-N 2 0 241.379 1.154 20 0 BDADRP C[NH2+]CC1CC[NH+](CC[C@@H]2CCCC[NH2+]2)CC1 ZINC001235678670 979117991 /nfs/dbraw/zinc/11/79/91/979117991.db2.gz OKPFCQRKVPHXBZ-AWEZNQCLSA-N 3 0 239.407 1.450 20 0 BDADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC(C)(C)CO)C2 ZINC001277962531 979123528 /nfs/dbraw/zinc/12/35/28/979123528.db2.gz AQXPKRFCTLFNGD-AWEZNQCLSA-N 2 0 240.391 1.423 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCC[C@@H](Oc2cccnc2)C1 ZINC001235712844 979129284 /nfs/dbraw/zinc/12/92/84/979129284.db2.gz QCKKXVNTRUURFY-CQSZACIVSA-N 2 0 249.358 1.664 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC001235719482 979135004 /nfs/dbraw/zinc/13/50/04/979135004.db2.gz VDZAQBCERZKYIC-AWEZNQCLSA-N 2 0 234.343 1.799 20 0 BDADRP C[NH2+]C1CCN(C[C@H]([NH3+])Cc2ccccc2)CC1 ZINC001235788134 979149252 /nfs/dbraw/zinc/14/92/52/979149252.db2.gz DEURVXYYJOYOLG-CQSZACIVSA-N 2 0 247.386 1.240 20 0 BDADRP COC(C)(C)[C@H]1CCC[N@@H+]1C[C@@H](C)[NH3+] ZINC001235827840 979153911 /nfs/dbraw/zinc/15/39/11/979153911.db2.gz RCPBRFOTBHPJSM-NXEZZACHSA-N 2 0 200.326 1.223 20 0 BDADRP C[NH2+]C[C@@H]1CCCCN1C(=O)CCC(C)(C)[NH3+] ZINC001340962758 979177092 /nfs/dbraw/zinc/17/70/92/979177092.db2.gz YUMWKZYMTZZMHN-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP CCCc1ccc(CN(CC[NH3+])CC[NH3+])s1 ZINC001235875182 979177017 /nfs/dbraw/zinc/17/70/17/979177017.db2.gz BSUFOJDEWOJDBP-UHFFFAOYSA-N 2 0 241.404 1.420 20 0 BDADRP C(C1CC2(C1)CC[NH2+]CC2)[N@@H+]1CCNC2(CC2)C1 ZINC001235931611 979214348 /nfs/dbraw/zinc/21/43/48/979214348.db2.gz CVTIIJMXBOOGGV-UHFFFAOYSA-N 2 0 249.402 1.204 20 0 BDADRP C[C@@H]([NH3+])CN1CC[C@@H](c2cccc(F)c2)C1 ZINC001235935383 979214631 /nfs/dbraw/zinc/21/46/31/979214631.db2.gz ULZLDCYDMJTQGG-ZYHUDNBSSA-N 2 0 222.307 1.962 20 0 BDADRP CCN(C[C@@H]([NH3+])c1ccccc1)[C@H]1CC[NH2+]C1 ZINC001235970946 979233453 /nfs/dbraw/zinc/23/34/53/979233453.db2.gz XFAKUHZGCNBGNE-UONOGXRCSA-N 2 0 233.359 1.370 20 0 BDADRP [NH3+][C@]12CC[C@@H]1C[N@H+](C[C@@H]1CC=CCC1)C2 ZINC001235981110 979261422 /nfs/dbraw/zinc/26/14/22/979261422.db2.gz UNNJOCKWFFSBOW-UPJWGTAASA-N 2 0 206.333 1.766 20 0 BDADRP CC(C)[NH2+]CCCNC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000151817792 979264768 /nfs/dbraw/zinc/26/47/68/979264768.db2.gz KYHLEUKNUVTRDQ-NWDGAFQWSA-N 2 0 241.379 1.008 20 0 BDADRP [NH3+][C@]12CC[C@@H]1CN(Cc1ccc3c(c1)C[NH2+]C3)C2 ZINC001235986359 979268582 /nfs/dbraw/zinc/26/85/82/979268582.db2.gz DURJTBSRXWLDCD-CABCVRRESA-N 2 0 243.354 1.213 20 0 BDADRP [NH3+]CCCC[NH+]1CC2(C1)CC(F)(F)CS2 ZINC001235994749 979286901 /nfs/dbraw/zinc/28/69/01/979286901.db2.gz XBOWKADTPICZDJ-UHFFFAOYSA-N 2 0 236.331 1.552 20 0 BDADRP CCCCCC[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235994762 979287077 /nfs/dbraw/zinc/28/70/77/979287077.db2.gz XCUOMOVGCVCUGG-FUNVUKJBSA-N 2 0 226.364 1.472 20 0 BDADRP CCN(C[C@@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC001236006320 979289342 /nfs/dbraw/zinc/28/93/42/979289342.db2.gz QTNRWLHVTISOIH-OLZOCXBDSA-N 2 0 225.380 1.060 20 0 BDADRP CCN(C[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC001236006317 979294328 /nfs/dbraw/zinc/29/43/28/979294328.db2.gz QTNRWLHVTISOIH-CHWSQXEVSA-N 2 0 225.380 1.060 20 0 BDADRP [NH3+]CCCC[N@@H+]1CC[C@H](COCC2CC2)C1 ZINC001236042534 979336441 /nfs/dbraw/zinc/33/64/41/979336441.db2.gz PQUTXONSVMJAGW-ZDUSSCGKSA-N 2 0 226.364 1.474 20 0 BDADRP C(CN1C[C@H]2CC[C@@H](C1)[NH2+]C2)C1CC[NH2+]CC1 ZINC001236059350 979348108 /nfs/dbraw/zinc/34/81/08/979348108.db2.gz FTQZTUFTKCJUPG-KBPBESRZSA-N 3 0 237.391 1.060 20 0 BDADRP C[C@H]1CN(Cc2cccc3c2NCC3)CCC[NH2+]1 ZINC001236100693 979390455 /nfs/dbraw/zinc/39/04/55/979390455.db2.gz NAJQLMVHCPMQMI-LBPRGKRZSA-N 2 0 245.370 1.838 20 0 BDADRP CC[NH2+]CCN1CC[NH2+]C[C@H]1c1cccs1 ZINC001236110630 979392335 /nfs/dbraw/zinc/39/23/35/979392335.db2.gz DEHGTNIMCMYXFW-NSHDSACASA-N 2 0 239.388 1.304 20 0 BDADRP [NH3+]CCCCN1CC[NH2+]C[C@H]1c1cccs1 ZINC001236112392 979395461 /nfs/dbraw/zinc/39/54/61/979395461.db2.gz DUWYHEDUADREOB-NSHDSACASA-N 2 0 239.388 1.433 20 0 BDADRP CCC[C@@H]1C[NH2+]CCN1C[C@@H]([NH3+])c1ccccc1 ZINC001236132942 979402428 /nfs/dbraw/zinc/40/24/28/979402428.db2.gz STOMVKGPACMVHE-HUUCEWRRSA-N 2 0 247.386 1.760 20 0 BDADRP CCCC[C@@H]1CN(C[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC001236135631 979411017 /nfs/dbraw/zinc/41/10/17/979411017.db2.gz PKOYKGMWLLUWMH-QWHCGFSZSA-N 2 0 225.380 1.060 20 0 BDADRP CCC[C@H]1C[N@H+](CCC23CC([NH3+])(C2)C3)CCN1 ZINC001236177053 979436967 /nfs/dbraw/zinc/43/69/67/979436967.db2.gz VLSURLADEYBLQK-HSBZDZAISA-N 2 0 237.391 1.332 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCC[C@H]1N ZINC001236210510 979450099 /nfs/dbraw/zinc/45/00/99/979450099.db2.gz DERWOQZFCIEQQF-BFHYXJOUSA-N 2 0 239.407 1.578 20 0 BDADRP Cc1cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)[nH]n1 ZINC001236315242 979527409 /nfs/dbraw/zinc/52/74/09/979527409.db2.gz XELFMZWDZAGFPW-TXEJJXNPSA-N 2 0 234.347 1.150 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC001341688771 979527529 /nfs/dbraw/zinc/52/75/29/979527529.db2.gz LCPUMMALTQGPFW-WDEREUQCSA-N 2 0 241.379 1.007 20 0 BDADRP [NH3+]C12CC(CC[N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)(C1)C2 ZINC001236315252 979528805 /nfs/dbraw/zinc/52/88/05/979528805.db2.gz YJECNHREILKDSM-DGKWVBSXSA-N 3 0 249.402 1.189 20 0 BDADRP CC(C)=CCC[C@H](C)C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206506835 979530629 /nfs/dbraw/zinc/53/06/29/979530629.db2.gz SDQXYULQSIYACY-IHRRRGAJSA-N 2 0 240.391 1.620 20 0 BDADRP Nc1ccccc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320874 979533002 /nfs/dbraw/zinc/53/30/02/979533002.db2.gz LCOYRDQCNVWDFB-BETUJISGSA-N 2 0 245.370 1.700 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CC[C@@]23CCOC3)CC1 ZINC001182434329 979534068 /nfs/dbraw/zinc/53/40/68/979534068.db2.gz NZUNQULAFSDIGC-AWEZNQCLSA-N 2 0 238.375 1.583 20 0 BDADRP [NH3+]CCCCNC(=O)[C@@H]([NH3+])C1CCCCCC1 ZINC001341748545 979541092 /nfs/dbraw/zinc/54/10/92/979541092.db2.gz PQBFXWAPUQNAQZ-LBPRGKRZSA-N 2 0 241.379 1.139 20 0 BDADRP [NH3+]Cc1cccc(-c2cccc3c2CC[NH2+]C3)n1 ZINC001236342567 979541378 /nfs/dbraw/zinc/54/13/78/979541378.db2.gz BKGVWCDZDILAIY-UHFFFAOYSA-N 2 0 239.322 1.853 20 0 BDADRP Nc1cc[nH+]c(-c2cccc3c2CC[NH2+]C3)c1 ZINC001236343167 979542621 /nfs/dbraw/zinc/54/26/21/979542621.db2.gz OBSDRHYVJFCULZ-UHFFFAOYSA-N 2 0 225.295 1.977 20 0 BDADRP C[NH2+]CCCCC(=O)Nc1ccc(C[NH3+])cc1 ZINC001341750609 979545202 /nfs/dbraw/zinc/54/52/02/979545202.db2.gz GQRFRUSTIUADKM-UHFFFAOYSA-N 2 0 235.331 1.474 20 0 BDADRP CC[C@H](C)C[C@H]([NH3+])C(=O)NC1(C)CC[NH2+]CC1 ZINC001341766311 979549986 /nfs/dbraw/zinc/54/99/86/979549986.db2.gz NOXHDGSLFHVKNN-QWRGUYRKSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC001236414115 979585669 /nfs/dbraw/zinc/58/56/69/979585669.db2.gz JSOYFHZBKPLADY-DGCLKSJQSA-N 3 0 225.380 1.188 20 0 BDADRP CC(C)N(C[C@@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC001236469367 979604178 /nfs/dbraw/zinc/60/41/78/979604178.db2.gz SONZECIFJLANGH-QWHCGFSZSA-N 2 0 225.380 1.201 20 0 BDADRP CC(C)CN(C[C@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC001236474081 979605299 /nfs/dbraw/zinc/60/52/99/979605299.db2.gz MUHVZYGXLTVXMR-ZIAGYGMSSA-N 2 0 239.407 1.448 20 0 BDADRP CC1(CN(C2CC2)[C@@H]2CC[NH2+]C2)CC[NH2+]CC1 ZINC001236530839 979620424 /nfs/dbraw/zinc/62/04/24/979620424.db2.gz YLENVVDLFPBZFB-CYBMUJFWSA-N 2 0 237.391 1.202 20 0 BDADRP CC(C)N(C[C@H]1CCCC[NH2+]1)[C@H]1CC[NH2+]C1 ZINC001236528396 979622321 /nfs/dbraw/zinc/62/23/21/979622321.db2.gz SDHIXWKWDQKLEW-OLZOCXBDSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H](N)C[N@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236539937 979625577 /nfs/dbraw/zinc/62/55/77/979625577.db2.gz DSUWUTNWACNAFZ-MRVWCRGKSA-N 2 0 239.407 1.706 20 0 BDADRP CNCC[N@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236542452 979626286 /nfs/dbraw/zinc/62/62/86/979626286.db2.gz WSJCSLBYGLQURE-HDJSIYSDSA-N 2 0 239.407 1.578 20 0 BDADRP NCC[N@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236539845 979626937 /nfs/dbraw/zinc/62/69/37/979626937.db2.gz BPCBONURBACIKT-JOCQHMNTSA-N 2 0 225.380 1.317 20 0 BDADRP NCC[N@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236566535 979637174 /nfs/dbraw/zinc/63/71/74/979637174.db2.gz KEUYQVHWJCDULI-AULYBMBSSA-N 2 0 225.380 1.460 20 0 BDADRP C[C@@H](N)C[N@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236572962 979637286 /nfs/dbraw/zinc/63/72/86/979637286.db2.gz XXMOGGNTXDCPKM-NQBHXWOUSA-N 2 0 225.380 1.458 20 0 BDADRP C[NH2+]CCC[N@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236571787 979638671 /nfs/dbraw/zinc/63/86/71/979638671.db2.gz GYSCGLXNCWZANU-MQMHXKEQSA-N 3 0 239.407 1.720 20 0 BDADRP C[C@@H]1CN(CC2(C)CC[NH+](C)CC2)C[C@H](C)[NH2+]1 ZINC001236576134 979647569 /nfs/dbraw/zinc/64/75/69/979647569.db2.gz BVNGAZKYZGJDGE-BETUJISGSA-N 2 0 239.407 1.401 20 0 BDADRP CC(C)[N@H+](CCCC[NH3+])C1CCN(C)CC1 ZINC001236583122 979664184 /nfs/dbraw/zinc/66/41/84/979664184.db2.gz OZYXDOIOHHRZTD-UHFFFAOYSA-N 2 0 227.396 1.530 20 0 BDADRP CC[C@H]([NH3+])CN(C)Cc1ccc(C[NH3+])cc1 ZINC001236869428 979771465 /nfs/dbraw/zinc/77/14/65/979771465.db2.gz VUUXWEVBCMHULG-ZDUSSCGKSA-N 2 0 221.348 1.314 20 0 BDADRP O=C(CCC1C[NH2+]C1)Nc1cccc2c1C[NH2+]C2 ZINC001342395975 979791509 /nfs/dbraw/zinc/79/15/09/979791509.db2.gz FBNRQUOIRAQUBK-UHFFFAOYSA-N 2 0 245.326 1.228 20 0 BDADRP C[C@H]([NH3+])CN(C)Cc1cc2c(s1)C[NH2+]CC2 ZINC001236904995 979792910 /nfs/dbraw/zinc/79/29/10/979792910.db2.gz XUROQSXBHCMSBG-VIFPVBQESA-N 2 0 239.388 1.173 20 0 BDADRP [NH3+]CCCC[N@H+](C1CCC1)C1CCOCC1 ZINC001237016261 979805302 /nfs/dbraw/zinc/80/53/02/979805302.db2.gz QLXHUWKHTYYJIZ-UHFFFAOYSA-N 2 0 226.364 1.759 20 0 BDADRP Cc1nccnc1CN1CCC[C@@](C)([NH3+])CC1 ZINC001205273468 979839065 /nfs/dbraw/zinc/83/90/65/979839065.db2.gz LPCARZYIPCRVCE-CYBMUJFWSA-N 2 0 234.347 1.488 20 0 BDADRP C1=C2[NH2+]CCN(C[C@@H]3CCC[NH2+]3)[C@@H]2CCC1 ZINC001237217673 979848557 /nfs/dbraw/zinc/84/85/57/979848557.db2.gz CESJVXOCPSMRIF-WCQYABFASA-N 2 0 221.348 1.080 20 0 BDADRP C[C@H]1CN(CC[NH3+])CC[N@@H+]1C1CCCCC1 ZINC001237249039 979855219 /nfs/dbraw/zinc/85/52/19/979855219.db2.gz NCBQSAXIOBADTC-LBPRGKRZSA-N 2 0 225.380 1.284 20 0 BDADRP O=c1[nH]cccc1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237380027 979879722 /nfs/dbraw/zinc/87/97/22/979879722.db2.gz DXUQFHAINTXCJC-WCQYABFASA-N 2 0 247.342 1.361 20 0 BDADRP C([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H]1CCOC1 ZINC000153116107 979879777 /nfs/dbraw/zinc/87/97/77/979879777.db2.gz GTJCYRSEHVGXTC-ZDUSSCGKSA-N 2 0 238.375 1.487 20 0 BDADRP c1cnn(CCC[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237385005 979882899 /nfs/dbraw/zinc/88/28/99/979882899.db2.gz ZDGYINNDRCYULW-UONOGXRCSA-N 2 0 248.374 1.347 20 0 BDADRP [NH3+]CCCCN1CC[C@H]([NH+]2CCCC2)[C@@H](F)C1 ZINC001237456082 979900030 /nfs/dbraw/zinc/90/00/30/979900030.db2.gz PLVZXMSIYWPRSY-STQMWFEESA-N 2 0 243.370 1.234 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[NH+]2CCC1CC2)[C@H]1CC1(F)F ZINC001184135091 979947947 /nfs/dbraw/zinc/94/79/47/979947947.db2.gz KRBJJPMBRHQEBU-ZMLRMANQSA-N 2 0 244.329 1.962 20 0 BDADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001342957705 979955612 /nfs/dbraw/zinc/95/56/12/979955612.db2.gz BOCWJSBFDDEEGM-SRVKXCTJSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@@H]([NH3+])C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC001343011710 979976941 /nfs/dbraw/zinc/97/69/41/979976941.db2.gz LXBKUZCIQHHWSW-MRVPVSSYSA-N 2 0 221.304 1.166 20 0 BDADRP CCc1n[nH]cc1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001237648658 979998877 /nfs/dbraw/zinc/99/88/77/979998877.db2.gz LHAIZZNSDQSFHK-YPMHNXCESA-N 2 0 248.374 1.356 20 0 BDADRP C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2C[C@H](C[NH3+])C2)cc1 ZINC001343087798 980006115 /nfs/dbraw/zinc/00/61/15/980006115.db2.gz UURWPICVBGXUSK-KWBADKCTSA-N 2 0 247.342 1.173 20 0 BDADRP C[C@@H]1CCN(C[C@@H]([NH3+])c2ccccc2)C[C@@H]1C[NH3+] ZINC001205297151 980074726 /nfs/dbraw/zinc/07/47/26/980074726.db2.gz ZYAMYZZNLXHSCU-VHDGCEQUSA-N 2 0 247.386 1.603 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)NC1CC[NH+](C)CC1 ZINC001184417336 980081782 /nfs/dbraw/zinc/08/17/82/980081782.db2.gz BCXFPGUHAVACOY-CYBMUJFWSA-N 2 0 241.423 1.791 20 0 BDADRP C[N@H+](Cc1cccc2c[nH+]cn21)C1CCOCC1 ZINC001238102565 980150230 /nfs/dbraw/zinc/15/02/30/980150230.db2.gz FDWJPWIYLKURTH-UHFFFAOYSA-N 2 0 245.326 1.945 20 0 BDADRP C[N@H+](Cc1cccc2c[nH+]cn21)CC1(C)COC1 ZINC001238114281 980158336 /nfs/dbraw/zinc/15/83/36/980158336.db2.gz QHAKZHOUWSPPEK-UHFFFAOYSA-N 2 0 245.326 1.803 20 0 BDADRP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC001343714232 980215252 /nfs/dbraw/zinc/21/52/52/980215252.db2.gz LXXPKCSXDQMBNA-SRVKXCTJSA-N 2 0 241.379 1.101 20 0 BDADRP CC[C@H](C)C[C@H]([NH3+])C(=O)NCC[C@@H]([NH3+])C(C)C ZINC001344056992 980328871 /nfs/dbraw/zinc/32/88/71/980328871.db2.gz BERAAWPZTFVZOX-TUAOUCFPSA-N 2 0 243.395 1.240 20 0 BDADRP c1cc(C2=CCC[NH2+]CC2)nc2c1CC[NH2+]C2 ZINC001238936826 980373961 /nfs/dbraw/zinc/37/39/61/980373961.db2.gz OUMAJHXCOHUVNJ-UHFFFAOYSA-N 2 0 229.327 1.494 20 0 BDADRP C[C@@]1(CO)CCC[N@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC001345159171 980569522 /nfs/dbraw/zinc/56/95/22/980569522.db2.gz CRRPWARGEOOJAP-ZIAGYGMSSA-N 2 0 240.391 1.471 20 0 BDADRP C[NH2+][C@H](C)CCNC(=O)[C@H](CC(C)(C)C)[NH2+]C ZINC001345993462 980724120 /nfs/dbraw/zinc/72/41/20/980724120.db2.gz QRSRPUDSUDJCNB-MNOVXSKESA-N 2 0 243.395 1.125 20 0 BDADRP C[NH+]1CCC(C[NH2+]C[C@H](O)c2ccccn2)CC1 ZINC001346203598 980783127 /nfs/dbraw/zinc/78/31/27/980783127.db2.gz KJSQATHTVILBOX-AWEZNQCLSA-N 2 0 249.358 1.046 20 0 BDADRP C[NH2+]Cc1ccc(-c2cncc(C[NH3+])c2)cc1 ZINC001239803570 980940259 /nfs/dbraw/zinc/94/02/59/980940259.db2.gz DEEBADKWXLQEKQ-UHFFFAOYSA-N 2 0 227.311 1.927 20 0 BDADRP C[C@H]([NH3+])c1ccc(-c2cncc(C[NH3+])c2)cn1 ZINC001239809834 980951554 /nfs/dbraw/zinc/95/15/54/980951554.db2.gz XMMKVMDFUMYALT-VIFPVBQESA-N 2 0 228.299 1.622 20 0 BDADRP [NH3+]C[C@]1(F)CCC[N@H+](C[C@H]2CCCCO2)CC1 ZINC001205546823 980953053 /nfs/dbraw/zinc/95/30/53/980953053.db2.gz YWZKRZAZJVTXIJ-OLZOCXBDSA-N 2 0 244.354 1.708 20 0 BDADRP COC(=O)CCC[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205605030 981183253 /nfs/dbraw/zinc/18/32/53/981183253.db2.gz YPPCKQKBUYDCJQ-NEPJUHHUSA-N 2 0 242.363 1.246 20 0 BDADRP c1cc2c(c(C3=CC[NH2+]CC3)c1)CC[NH2+]C2 ZINC001240467695 981401034 /nfs/dbraw/zinc/40/10/34/981401034.db2.gz NVFCTRFCWJMYND-UHFFFAOYSA-N 2 0 214.312 1.709 20 0 BDADRP C[NH2+]Cc1ccccc1C1=CC[NH2+]CC1 ZINC001240470208 981406959 /nfs/dbraw/zinc/40/69/59/981406959.db2.gz DJSRUGXICCONSZ-UHFFFAOYSA-N 2 0 202.301 1.783 20 0 BDADRP C/C=C(\NC=[NH2+])c1ccc(N2CC[NH2+]CC2)nc1 ZINC001240485640 981411461 /nfs/dbraw/zinc/41/14/61/981411461.db2.gz SHTHLPUSTMKBRX-OIXVIMQBSA-N 2 0 245.330 1.049 20 0 BDADRP C[NH2+][C@@H](C)CCNC1CC[NH+](C(C)(C)C)CC1 ZINC001348839575 981454340 /nfs/dbraw/zinc/45/43/40/981454340.db2.gz BZZFSRAPCAWQHW-LBPRGKRZSA-N 2 0 241.423 1.837 20 0 BDADRP C[C@]1(C[N@@H+]2CCC[C@](C)(CO)C2)CC[NH2+]C1 ZINC001349321170 981529060 /nfs/dbraw/zinc/52/90/60/981529060.db2.gz YZYXXJNPHMZJQL-STQMWFEESA-N 2 0 226.364 1.080 20 0 BDADRP c1cc2c(cc1C1=CCC[NH2+]C1)CC[NH2+]C2 ZINC001240659688 981569937 /nfs/dbraw/zinc/56/99/37/981569937.db2.gz XNUFFGBCWHCXTD-UHFFFAOYSA-N 2 0 214.312 1.709 20 0 BDADRP O[C@]1(C[NH2+][C@@H]2CC3CCC2CC3)CCC[NH2+]C1 ZINC001580880102 981676263 /nfs/dbraw/zinc/67/62/63/981676263.db2.gz JHVHIZAJBDXNJV-NWINJMCUSA-N 2 0 238.375 1.269 20 0 BDADRP c1cnc([C@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)cn1 ZINC001580896427 981725553 /nfs/dbraw/zinc/72/55/53/981725553.db2.gz BHEJDHXESMJBFD-OLZOCXBDSA-N 2 0 246.358 1.266 20 0 BDADRP c1cnc([C@@H]2CC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)nc1 ZINC001580896936 981733005 /nfs/dbraw/zinc/73/30/05/981733005.db2.gz YPJPKVZNBFRJTM-CHWSQXEVSA-N 2 0 246.358 1.266 20 0 BDADRP C[C@H](CC[NH+](C)C)C(=O)N[C@@H](C)CC[NH+](C)C ZINC001585149454 981908554 /nfs/dbraw/zinc/90/85/54/981908554.db2.gz FOAKLQZCCABEKS-NEPJUHHUSA-N 2 0 243.395 1.031 20 0 BDADRP CC1(C)[C@H]([NH2+]C[C@@H]2CCOC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC001350954666 982134805 /nfs/dbraw/zinc/13/48/05/982134805.db2.gz DUOOWTDSXHDDNR-QNWHQSFQSA-N 2 0 238.375 1.389 20 0 BDADRP C[N@H+]1CC=C(c2ccc3[nH]c(N)[nH+]c3c2)CC1 ZINC001241327579 982489388 /nfs/dbraw/zinc/48/93/88/982489388.db2.gz OSKCGBXNQAVTMM-UHFFFAOYSA-N 2 0 228.299 1.864 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)C1 ZINC001352788914 982580549 /nfs/dbraw/zinc/58/05/49/982580549.db2.gz RLCZNEVTNURIFV-NDBYEHHHSA-N 2 0 224.348 1.225 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)C1 ZINC001352788917 982581430 /nfs/dbraw/zinc/58/14/30/982581430.db2.gz RLCZNEVTNURIFV-WUHRBBMRSA-N 2 0 224.348 1.225 20 0 BDADRP [NH3+]Cc1ccc(-c2cc(C3C[NH2+]C3)ncn2)cc1 ZINC001241912994 983129799 /nfs/dbraw/zinc/12/97/99/983129799.db2.gz LWRCCBSIEDOETD-UHFFFAOYSA-N 2 0 240.310 1.289 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC001354232817 983214318 /nfs/dbraw/zinc/21/43/18/983214318.db2.gz BZLPDUDJJCPXHK-WUHRBBMRSA-N 2 0 237.391 1.363 20 0 BDADRP C[NH+]1CCN(C2C[NH+](C[C@H]3CC=CCC3)C2)CC1 ZINC001201428926 983229547 /nfs/dbraw/zinc/22/95/47/983229547.db2.gz SHQVGNMBDFNNPX-AWEZNQCLSA-N 2 0 249.402 1.274 20 0 BDADRP CCC[N@@H+](CCCC(=O)OC)CCC[NH+](C)C ZINC001202263123 983606998 /nfs/dbraw/zinc/60/69/98/983606998.db2.gz IAKPQGAIDWRRQF-UHFFFAOYSA-N 2 0 244.379 1.603 20 0 BDADRP CCCC[C@@H](O)C[NH2+]CCCCC[NH+](C)C ZINC001252107126 983673011 /nfs/dbraw/zinc/67/30/11/983673011.db2.gz FKSCFAHPECUUFS-CYBMUJFWSA-N 2 0 230.396 1.859 20 0 BDADRP CC(C)C[C@@H]([NH3+])CC(=O)N[C@@H](C)CC[NH+](C)C ZINC001357377337 983704116 /nfs/dbraw/zinc/70/41/16/983704116.db2.gz WZEBPABGJOKQRX-NWDGAFQWSA-N 2 0 243.395 1.206 20 0 BDADRP CC[C@@H](C)C[C@H]([NH3+])C(=O)Nc1ccc(C[NH3+])cc1 ZINC001357454411 983717861 /nfs/dbraw/zinc/71/78/61/983717861.db2.gz VJLNWFMMCDDQST-MFKMUULPSA-N 2 0 249.358 1.847 20 0 BDADRP CC(C)C[C@@H]([NH3+])CC(=O)NC(C)(C)CCC[NH3+] ZINC001357474549 983729035 /nfs/dbraw/zinc/72/90/35/983729035.db2.gz OIWNAVAAJBHNNH-LLVKDONJSA-N 2 0 243.395 1.384 20 0 BDADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC001357484401 983730215 /nfs/dbraw/zinc/73/02/15/983730215.db2.gz FCAUSNMLUHIUDJ-AXFHLTTASA-N 2 0 241.379 1.007 20 0 BDADRP C[C@@H]1Cc2n[nH]cc2C[N@@H+](CC2CC[NH2+]CC2)C1 ZINC001573653852 984037531 /nfs/dbraw/zinc/03/75/31/984037531.db2.gz DNLFCTBVDOKIMM-LLVKDONJSA-N 2 0 248.374 1.404 20 0 BDADRP C([NH2+][C@H]1C[C@@H]2COC[C@@H]21)[C@@H]1CCCCC[NH2+]1 ZINC001574801598 984117804 /nfs/dbraw/zinc/11/78/04/984117804.db2.gz SHWFCJCQAAKQQF-VOAKCMCISA-N 2 0 224.348 1.143 20 0 BDADRP C1[NH2+]CC12C[C@@H]([NH2+][C@@H]1C[C@@H]3CCCC[C@H]13)CO2 ZINC001574801187 984119424 /nfs/dbraw/zinc/11/94/24/984119424.db2.gz OEPAEYRPJKQSLK-QNWHQSFQSA-N 2 0 236.359 1.286 20 0 BDADRP CCC[C@@H](CCO)[NH2+]CC(C)(C)C[NH3+] ZINC001577358161 984193145 /nfs/dbraw/zinc/19/31/45/984193145.db2.gz RVVYESONVSKWFT-JTQLQIEISA-N 2 0 202.342 1.112 20 0 BDADRP CCC[N@H+](CCC1C[NH2+]C1)[C@H](C)C(=O)OCC ZINC001577519244 984198603 /nfs/dbraw/zinc/19/86/03/984198603.db2.gz IVWBWCWUTCXDLD-LLVKDONJSA-N 2 0 242.363 1.260 20 0 BDADRP CCOC(=O)[C@@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001577908256 984201528 /nfs/dbraw/zinc/20/15/28/984201528.db2.gz DTTXFFXSSREBTE-SDDRHHMPSA-N 2 0 242.363 1.163 20 0 BDADRP C[NH2+]C[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC001578654389 984219243 /nfs/dbraw/zinc/21/92/43/984219243.db2.gz OJNVNLDFPCWKMB-HUUCEWRRSA-N 2 0 248.370 1.794 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+][C@@H](C)CC(C)C ZINC001579002031 984249866 /nfs/dbraw/zinc/24/98/66/984249866.db2.gz NCWXMMKGWXCOBT-QWRGUYRKSA-N 2 0 202.342 1.374 20 0 BDADRP [NH3+][C@H]1CC12CC([NH2+][C@H]1CCCn3nccc31)C2 ZINC001580167211 984410616 /nfs/dbraw/zinc/41/06/16/984410616.db2.gz VSBYSULJJDKWQK-QCNJJUDDSA-N 2 0 232.331 1.187 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH2+]CCc2cnoc2)CC1 ZINC000718827381 984547660 /nfs/dbraw/zinc/54/76/60/984547660.db2.gz OZOYLFYVZFILCM-LBPRGKRZSA-N 2 0 223.320 1.291 20 0 BDADRP C1=C(c2cccc3c2CC[NH2+]C3)C[NH2+]C1 ZINC001243110938 984572104 /nfs/dbraw/zinc/57/21/04/984572104.db2.gz NWVCFFKJTYRGRM-UHFFFAOYSA-N 2 0 200.285 1.319 20 0 BDADRP C[N@@H+]1CCc2ccc(C3=CC[NH2+]C3)cc2C1 ZINC001243116091 984586632 /nfs/dbraw/zinc/58/66/32/984586632.db2.gz RFXUQGLQWJFXJD-UHFFFAOYSA-N 2 0 214.312 1.661 20 0 BDADRP O[C@@H](C[NH2+]C[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC001580884987 984617292 /nfs/dbraw/zinc/61/72/92/984617292.db2.gz YREZTMVMLNBMBE-HUUCEWRRSA-N 2 0 248.370 1.179 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC001577687585 984644681 /nfs/dbraw/zinc/64/46/81/984644681.db2.gz LICDGXQWMXFXAO-UPJWGTAASA-N 3 0 227.396 1.434 20 0 BDADRP CC[N@H+](CCNC(=O)[C@@](C)(CC)C[NH3+])C(C)C ZINC001577722759 984661101 /nfs/dbraw/zinc/66/11/01/984661101.db2.gz JWOHCPOGXOSSQF-ZDUSSCGKSA-N 2 0 243.395 1.208 20 0 BDADRP CC[NH+]1CCC(C[NH2+]CC[C@@H]([NH3+])C(C)C)CC1 ZINC001577763651 984728788 /nfs/dbraw/zinc/72/87/88/984728788.db2.gz GTEKHBSGADVISY-CQSZACIVSA-N 3 0 241.423 1.681 20 0 BDADRP CCN1CCC[C@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)C1 ZINC001577770154 984756198 /nfs/dbraw/zinc/75/61/98/984756198.db2.gz ARCKPILCONGJPZ-QWHCGFSZSA-N 2 0 237.391 1.202 20 0 BDADRP CC[N@H+]1[C@H](C)CN(C[C@@H]2C[NH2+]C[C@H]2C)C[C@@H]1C ZINC001577780682 984783421 /nfs/dbraw/zinc/78/34/21/984783421.db2.gz CMGHZOGXAZLJOI-MQYQWHSLSA-N 2 0 239.407 1.256 20 0 BDADRP CC[N@@H+]1CCC[C@@H](N[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC001577770411 984784924 /nfs/dbraw/zinc/78/49/24/984784924.db2.gz HKRGHGVKRMLJMQ-JHJVBQTASA-N 2 0 225.380 1.330 20 0 BDADRP CCOC(=O)[C@@H](C)[C@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC001577908862 984819046 /nfs/dbraw/zinc/81/90/46/984819046.db2.gz VMZGTJAPERIKTJ-JYBOHDQNSA-N 2 0 242.363 1.434 20 0 BDADRP CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC001577908861 984819767 /nfs/dbraw/zinc/81/97/67/984819767.db2.gz VMZGTJAPERIKTJ-DMOGRIERSA-N 2 0 242.363 1.434 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCCO1 ZINC000925500810 984826835 /nfs/dbraw/zinc/82/68/35/984826835.db2.gz FSNBVRPVFBWWKZ-SZQBSXBZSA-N 2 0 224.348 1.271 20 0 BDADRP CCOC(=O)CC[N@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC001577948562 984826924 /nfs/dbraw/zinc/82/69/24/984826924.db2.gz GMLIGPMRAPLAOK-LBPRGKRZSA-N 2 0 242.363 1.261 20 0 BDADRP CCOC(=O)CCC[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC001577945339 984827362 /nfs/dbraw/zinc/82/73/62/984827362.db2.gz GXGZISZBUCKMMQ-GFCCVEGCSA-N 2 0 242.363 1.533 20 0 BDADRP CCO[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)[NH3+] ZINC001578148789 984856364 /nfs/dbraw/zinc/85/63/64/984856364.db2.gz JVFWOYRQZFMYBV-GMTAPVOTSA-N 2 0 200.326 1.271 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)[C@H]1OC ZINC001578148617 984856409 /nfs/dbraw/zinc/85/64/09/984856409.db2.gz DMQFLCLGLOIWNP-KSSYENDESA-N 2 0 242.363 1.038 20 0 BDADRP CCO[C@@]1(C)C[C@H]1[NH2+]C1CC(CC[NH3+])C1 ZINC001578160821 984864678 /nfs/dbraw/zinc/86/46/78/984864678.db2.gz DXQHTOVSZDVGLF-HCWSGVFWSA-N 2 0 212.337 1.271 20 0 BDADRP CC1CC(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000691886586 984893519 /nfs/dbraw/zinc/89/35/19/984893519.db2.gz RCBWUTUMEPEXQQ-QQFIATSDSA-N 2 0 208.349 1.892 20 0 BDADRP CC[C@H]1[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCSC1 ZINC001578242048 984896050 /nfs/dbraw/zinc/89/60/50/984896050.db2.gz YOKDAOWCICUWJA-AXFHLTTASA-N 2 0 214.378 1.470 20 0 BDADRP CCc1ccc([C@@H](C)[NH2+]C[C@H](O)CC[NH3+])cc1 ZINC001578263637 984911408 /nfs/dbraw/zinc/91/14/08/984911408.db2.gz RAPMBUZDRKABIA-BXUZGUMPSA-N 2 0 236.359 1.609 20 0 BDADRP CCc1nn(C)cc1C[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578298994 984959545 /nfs/dbraw/zinc/95/95/45/984959545.db2.gz INRQNJRRDOYARU-CMPLNLGQSA-N 2 0 236.363 1.200 20 0 BDADRP CCc1ncc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cn1 ZINC001578297120 984961663 /nfs/dbraw/zinc/96/16/63/984961663.db2.gz TZGYJMVWNGPZFK-DGCLKSJQSA-N 2 0 248.374 1.374 20 0 BDADRP CCn1cnc(C[NH2+]C2CC3(CC([NH3+])C3)C2)c1 ZINC001578357262 984996169 /nfs/dbraw/zinc/99/61/69/984996169.db2.gz OYWBLKHTRBCJST-UHFFFAOYSA-N 2 0 234.347 1.263 20 0 BDADRP CCn1ccnc1[C@@H](C)[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001578357134 984998106 /nfs/dbraw/zinc/99/81/06/984998106.db2.gz NUVNGOCNXAJVGL-JJOYANBFSA-N 2 0 234.347 1.433 20 0 BDADRP CCn1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC001578354150 984998587 /nfs/dbraw/zinc/99/85/87/984998587.db2.gz ZRMBUPGLDAEPMX-NEPJUHHUSA-N 2 0 236.363 1.320 20 0 BDADRP CC[C@H](C)N(CCC[NH3+])CCC[NH+](C)C ZINC001257430685 985002332 /nfs/dbraw/zinc/00/23/32/985002332.db2.gz DRZXNVKDPKGQGR-LBPRGKRZSA-N 2 0 215.385 1.387 20 0 BDADRP CC[C@@H](C)[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001257444256 985033936 /nfs/dbraw/zinc/03/39/36/985033936.db2.gz ICDAZSWURHBDRS-HZSPNIEDSA-N 2 0 239.407 1.495 20 0 BDADRP C[NH+](C)[C@H]1CCCC[C@@H]1NCC12CC(C1)C[NH2+]2 ZINC001578410260 985047140 /nfs/dbraw/zinc/04/71/40/985047140.db2.gz FMOSQFSKLXQQCU-QPPOZKHWSA-N 2 0 237.391 1.201 20 0 BDADRP CN(C)c1cccc(CN2CCC([NH3+])CC2)n1 ZINC001578427316 985058961 /nfs/dbraw/zinc/05/89/61/985058961.db2.gz QGCPDJRNZXRYHZ-UHFFFAOYSA-N 2 0 234.347 1.071 20 0 BDADRP C[N@H+](CC1(C[NH3+])CCC1)CC1(O)CCCC1 ZINC001578445208 985078078 /nfs/dbraw/zinc/07/80/78/985078078.db2.gz JSUXZQWINQBKSA-UHFFFAOYSA-N 2 0 226.364 1.352 20 0 BDADRP C[N@H+](C[C@H]1CC[C@@H]([NH3+])C1)C[C@@H]1CCC[C@@H]1O ZINC001578453283 985090368 /nfs/dbraw/zinc/09/03/68/985090368.db2.gz ZOBTWFTWCVSKHD-RVMXOQNASA-N 2 0 226.364 1.207 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(N)nc3)[C@@H]2C1 ZINC001578520914 985139843 /nfs/dbraw/zinc/13/98/43/985139843.db2.gz IXMSFUKBSWHJTH-XQQFMLRXSA-N 2 0 246.358 1.094 20 0 BDADRP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3CC[C@H](C[NH3+])C3)[C@H]2C1 ZINC001578520783 985143740 /nfs/dbraw/zinc/14/37/40/985143740.db2.gz GNJWRIOZZTVYHJ-HPCHECBXSA-N 3 0 237.391 1.044 20 0 BDADRP CN1CCC[C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001578528046 985150626 /nfs/dbraw/zinc/15/06/26/985150626.db2.gz BPQGODFCBJYKED-CRWXNKLISA-N 2 0 237.391 1.201 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CN[C@@H](C[NH3+])C(C)(C)C ZINC001578530308 985154023 /nfs/dbraw/zinc/15/40/23/985154023.db2.gz FPNPDIWBGJATTC-MNOVXSKESA-N 2 0 213.369 1.044 20 0 BDADRP CN1CCC[C@H]([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC001578529428 985158482 /nfs/dbraw/zinc/15/84/82/985158482.db2.gz UUPUDWXIZNSHAS-STQMWFEESA-N 2 0 237.391 1.345 20 0 BDADRP CN1CCC[C@@H]([NH2+]C[C@H]2CCC[NH2+]CC2)C1 ZINC001578528646 985159587 /nfs/dbraw/zinc/15/95/87/985159587.db2.gz KCTULFAYXKNPIU-QWHCGFSZSA-N 2 0 225.380 1.060 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@H+](CC[C@H](O)C(C)C)C1 ZINC001578656331 985272119 /nfs/dbraw/zinc/27/21/19/985272119.db2.gz IWBYACLFZIWTDK-OLZOCXBDSA-N 2 0 228.380 1.325 20 0 BDADRP CO[C@H]1CC[C@H](C)[N@H+](CC2CC[NH2+]CC2)C1 ZINC000687252863 985275112 /nfs/dbraw/zinc/27/51/12/985275112.db2.gz ASFAOCSKIYOHFS-AAEUAGOBSA-N 2 0 226.364 1.485 20 0 BDADRP COC(=O)C(C)(C)CC[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001578766432 985324894 /nfs/dbraw/zinc/32/48/94/985324894.db2.gz OZHKRDLVYJTBHM-QUNCOHTASA-N 2 0 240.347 1.045 20 0 BDADRP COC(=O)C1CC([NH2+][C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC001578782753 985349839 /nfs/dbraw/zinc/34/98/39/985349839.db2.gz GTCOHQWCRMTYEN-KYTFYNBLSA-N 2 0 240.347 1.045 20 0 BDADRP COC(=O)CC1CC([NH2+][C@@H]2CCCC[C@H]2[NH3+])C1 ZINC001578803352 985373095 /nfs/dbraw/zinc/37/30/95/985373095.db2.gz MECZMMFNUCHEKN-KIDURHIOSA-N 2 0 240.347 1.188 20 0 BDADRP CCOC(=O)CCC[C@H](C)[NH2+]C[C@H](C)C[NH3+] ZINC001258113601 985420756 /nfs/dbraw/zinc/42/07/56/985420756.db2.gz WTFYIANTQHUOGH-MNOVXSKESA-N 2 0 230.352 1.293 20 0 BDADRP CO[C@H](CC(C)C)C[N@H+](C)CCC[NH3+] ZINC001578901241 985488238 /nfs/dbraw/zinc/48/82/38/985488238.db2.gz PZFLTHUCZYSIQA-LLVKDONJSA-N 2 0 202.342 1.328 20 0 BDADRP C[C@@H]1COC[C@@H]1[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000688022588 985492795 /nfs/dbraw/zinc/49/27/95/985492795.db2.gz FIUQOVGXWBNFOW-RDBSUJKOSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H](O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001459524356 985517958 /nfs/dbraw/zinc/51/79/58/985517958.db2.gz CNLGMUNGMLZULD-AVGNSLFASA-N 2 0 226.364 1.173 20 0 BDADRP COC1(C[NH2+][C@H]2C[C@H]([NH3+])C2)CCCCC1 ZINC001578928797 985533419 /nfs/dbraw/zinc/53/34/19/985533419.db2.gz BWDHGWJUCUSKOW-XYPYZODXSA-N 2 0 212.337 1.415 20 0 BDADRP C(=C/C1CC[NH2+]CC1)\c1ncc2c(n1)C[NH2+]CC2 ZINC001243892976 985567372 /nfs/dbraw/zinc/56/73/72/985567372.db2.gz MRPQJJXQYSXGQU-OWOJBTEDSA-N 2 0 244.342 1.135 20 0 BDADRP COC[C@@H](CC(C)(C)C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578960246 985580212 /nfs/dbraw/zinc/58/02/12/985580212.db2.gz BSMLNWCKCYQSLF-WYUUTHIRSA-N 2 0 226.364 1.245 20 0 BDADRP COC[C@H]([NH2+]C[C@@H]([NH3+])CC(F)F)C(C)C ZINC001578970601 985605708 /nfs/dbraw/zinc/60/57/08/985605708.db2.gz YFVYFJXVSFYIJV-IUCAKERBSA-N 2 0 224.295 1.230 20 0 BDADRP COCC[C@@H]([NH3+])C[NH2+]CC(C)(C)SC ZINC001579001771 985653746 /nfs/dbraw/zinc/65/37/46/985653746.db2.gz LSFONYNCLXIDAP-SECBINFHSA-N 2 0 220.382 1.081 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+][C@@H]1C[C@@](C)(OC)C1(C)C ZINC001579001567 985656657 /nfs/dbraw/zinc/65/66/57/985656657.db2.gz JIPLAFKQQHZILB-DMDPSCGWSA-N 2 0 244.379 1.143 20 0 BDADRP COCC[C@H]([NH3+])C[NH2+]C[C@@H]1CCC[C@H]1C ZINC001579003624 985660972 /nfs/dbraw/zinc/66/09/72/985660972.db2.gz KDCMVMBWDXHXNU-WOPDTQHZSA-N 2 0 214.353 1.376 20 0 BDADRP C[N@H+](CCc1nccs1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000688627607 985699031 /nfs/dbraw/zinc/69/90/31/985699031.db2.gz NFGMQONQMBURQD-MNOVXSKESA-N 2 0 239.388 1.745 20 0 BDADRP CO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC001579130310 985808672 /nfs/dbraw/zinc/80/86/72/985808672.db2.gz RQCORJKTNFTBSF-QCNOEVLYSA-N 2 0 212.337 1.142 20 0 BDADRP COc1ccc(CC[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)cn1 ZINC001579209111 985818810 /nfs/dbraw/zinc/81/88/10/985818810.db2.gz IPYAOWTWPQIIBG-VXGBXAGGSA-N 2 0 249.358 1.348 20 0 BDADRP COc1ccc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)o1 ZINC001579216295 985821784 /nfs/dbraw/zinc/82/17/84/985821784.db2.gz MLEYMTCUIAPPFD-GHMZBOCLSA-N 2 0 238.331 1.623 20 0 BDADRP COc1cccc(C[NH2+]C[C@H]2CC[C@@H]([NH3+])C2)n1 ZINC001579277884 985830121 /nfs/dbraw/zinc/83/01/21/985830121.db2.gz PSVDGVYJYPKZBQ-WDEREUQCSA-N 2 0 235.331 1.307 20 0 BDADRP COc1nc(C[NH2+]C[C@H]2C[C@@H]([NH3+])C2)ccc1C ZINC001579323660 985848138 /nfs/dbraw/zinc/84/81/38/985848138.db2.gz LYNIKBPXBPQTLR-PHIMTYICSA-N 2 0 235.331 1.226 20 0 BDADRP C[S@](=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC001579356277 985857621 /nfs/dbraw/zinc/85/76/21/985857621.db2.gz VJCMDKVIAFLWHP-QHSOUUPTSA-N 2 0 244.404 1.018 20 0 BDADRP CSCCCCC[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001579371465 985864417 /nfs/dbraw/zinc/86/44/17/985864417.db2.gz JMLVXSGUCTZJGE-CXQJBGSLSA-N 2 0 228.405 1.989 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC001579454477 985945500 /nfs/dbraw/zinc/94/55/00/985945500.db2.gz FPKOLCJQWALNIQ-AGIUHOORSA-N 2 0 240.391 1.325 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC001579454721 985946649 /nfs/dbraw/zinc/94/66/49/985946649.db2.gz XXSNCHCGNXSUJC-RFGFWPKPSA-N 2 0 238.375 1.200 20 0 BDADRP C[C@@]12CSC[C@@H]1C[N@H+](CC1CC[NH2+]CC1)C2 ZINC001579475691 985990971 /nfs/dbraw/zinc/99/09/71/985990971.db2.gz MPCKZZMQMLFEAQ-QWHCGFSZSA-N 2 0 240.416 1.671 20 0 BDADRP C[C@H]([NH2+]C[C@H](O)CC[NH3+])c1ccc(F)c(F)c1 ZINC001579485860 986012103 /nfs/dbraw/zinc/01/21/03/986012103.db2.gz UQLFKRTYQRFJBE-WCBMZHEXSA-N 2 0 244.285 1.325 20 0 BDADRP C[C@H]1C[C@@H](O)C[N@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC001579496324 986025420 /nfs/dbraw/zinc/02/54/20/986025420.db2.gz RYKOVVDUKTUMCX-XQQFMLRXSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@H]1[NH2+]CCC[C@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001579499606 986027539 /nfs/dbraw/zinc/02/75/39/986027539.db2.gz XKGPKQXVEHNOSD-XJFOESAGSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@H]1[NH2+]CC[C@@H]1[NH2+]C1CCSCC1 ZINC001579505058 986042733 /nfs/dbraw/zinc/04/27/33/986042733.db2.gz HFEILYKXJKVAGY-SCZZXKLOSA-N 2 0 200.351 1.222 20 0 BDADRP Cc1c[nH]c(=O)c(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC001579544012 986072321 /nfs/dbraw/zinc/07/23/21/986072321.db2.gz OJPCQVSEWOXLOS-RYUDHWBXSA-N 2 0 247.342 1.455 20 0 BDADRP Cc1c[nH]c(=O)c(C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)c1 ZINC001579543797 986073626 /nfs/dbraw/zinc/07/36/26/986073626.db2.gz IORBSAJRVBUMCJ-WDEREUQCSA-N 2 0 235.331 1.311 20 0 BDADRP Cc1c[nH]c(=O)c(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC001579544013 986076315 /nfs/dbraw/zinc/07/63/15/986076315.db2.gz OJPCQVSEWOXLOS-VXGBXAGGSA-N 2 0 247.342 1.455 20 0 BDADRP CCC[NH+]1CCC([NH2+]CCSCC[NH3+])CC1 ZINC001258769562 986159944 /nfs/dbraw/zinc/15/99/44/986159944.db2.gz VSKGIHYRINJYNX-UHFFFAOYSA-N 3 0 245.436 1.142 20 0 BDADRP Cc1cccc([C@H](C)[NH2+]C[C@]2(O)CCC[NH2+]C2)c1 ZINC001579776306 986219027 /nfs/dbraw/zinc/21/90/27/986219027.db2.gz MPXHWUGXONQGDT-ZFWWWQNUSA-N 2 0 248.370 1.760 20 0 BDADRP Cc1ccnc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC001579811664 986230616 /nfs/dbraw/zinc/23/06/16/986230616.db2.gz QGHIRCGSCSXDBX-VXGBXAGGSA-N 2 0 219.332 1.417 20 0 BDADRP Cc1ccnc(C[NH2+]C2CC3(C[NH2+]C3)C2)c1 ZINC001579811674 986232292 /nfs/dbraw/zinc/23/22/92/986232292.db2.gz QQSLGVVMVHFQTO-UHFFFAOYSA-N 2 0 217.316 1.232 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2CC[C@@H](C)[C@H]2CO)CC1 ZINC001462092785 986279693 /nfs/dbraw/zinc/27/96/93/986279693.db2.gz KJWPARMDGQMRNM-TZMCWYRMSA-N 2 0 240.391 1.421 20 0 BDADRP Cc1ncc(C[NH2+]C2CC3(CC([NH3+])C3)C2)o1 ZINC001579878818 986293925 /nfs/dbraw/zinc/29/39/25/986293925.db2.gz YMEXXGXVGSTKGP-UHFFFAOYSA-N 2 0 221.304 1.343 20 0 BDADRP CC[NH+]1CCC(C[NH2+]C[C@H]2CC[C@H](O)C2)CC1 ZINC001462190017 986307850 /nfs/dbraw/zinc/30/78/50/986307850.db2.gz IWKZYVPLHJDFKS-KBPBESRZSA-N 2 0 240.391 1.469 20 0 BDADRP C[N@H+](CCCC[NH2+][C@@H]1CCn2ccnc21)C1CC1 ZINC001462312040 986347672 /nfs/dbraw/zinc/34/76/72/986347672.db2.gz VYSNFLJAFHUIFU-CYBMUJFWSA-N 2 0 248.374 1.792 20 0 BDADRP CC(C)(C)[C@H](O)C[NH2+]CC12CC[NH+](CC1)CC2 ZINC001253746172 986366682 /nfs/dbraw/zinc/36/66/82/986366682.db2.gz UIKQNVXJZVGUQA-GFCCVEGCSA-N 2 0 240.391 1.469 20 0 BDADRP Cn1cc([C@@H]2C[C@H]2C[N@@H+]2CC[C@](C)(C[NH3+])C2)cn1 ZINC001579969076 986370213 /nfs/dbraw/zinc/37/02/13/986370213.db2.gz BUHFEMSVVHETBK-IACUBPJLSA-N 2 0 248.374 1.194 20 0 BDADRP Cn1cc([C@@H]2C[C@H]2C[NH2+]CC2([NH3+])CCCC2)cn1 ZINC001579970470 986375754 /nfs/dbraw/zinc/37/57/54/986375754.db2.gz XMCZBSIKSRTWQX-WCQYABFASA-N 2 0 248.374 1.385 20 0 BDADRP Cn1cncc1C1CC[NH+](CC2(C[NH3+])CC2)CC1 ZINC001579984830 986383321 /nfs/dbraw/zinc/38/33/21/986383321.db2.gz HZFQVNNZAIWZCS-UHFFFAOYSA-N 2 0 248.374 1.338 20 0 BDADRP C([NH2+]C[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CCSC1 ZINC001462634073 986469164 /nfs/dbraw/zinc/46/91/64/986469164.db2.gz GWLIHICNOJGNPI-WCQYABFASA-N 2 0 240.416 1.671 20 0 BDADRP CCN1CCC[C@H]([NH2+]CC[C@H](O)C2CC2)C1 ZINC001462663400 986496050 /nfs/dbraw/zinc/49/60/50/986496050.db2.gz RVRVNDJQNNSUIM-STQMWFEESA-N 2 0 226.364 1.221 20 0 BDADRP [NH3+]C1(CC[NH2+][C@@H]2CCCSC2)CCOCC1 ZINC001580143771 986613269 /nfs/dbraw/zinc/61/32/69/986613269.db2.gz GKTJLAGHGSRXGP-LLVKDONJSA-N 2 0 244.404 1.370 20 0 BDADRP Cc1ccc(CC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)nc1 ZINC000689444525 986617458 /nfs/dbraw/zinc/61/74/58/986617458.db2.gz LCRPZVNKKFNVDR-UONOGXRCSA-N 2 0 245.370 1.792 20 0 BDADRP [NH3+][C@@H]1CC12CC([NH2+][C@H](CO)C1CCCC1)C2 ZINC001580163351 986633965 /nfs/dbraw/zinc/63/39/65/986633965.db2.gz AAJPACQNRHKTQF-QZQSVVMZSA-N 2 0 224.348 1.007 20 0 BDADRP [NH3+]C1CC(CC(=O)Nc2ccc3c[nH+]cn3c2)C1 ZINC001580160696 986634047 /nfs/dbraw/zinc/63/40/47/986634047.db2.gz XJTADXGPXJRLHA-UHFFFAOYSA-N 2 0 244.298 1.400 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2O3)C12CCC2 ZINC001580163436 986638809 /nfs/dbraw/zinc/63/88/09/986638809.db2.gz AYOMFNWNVGDVMH-VSSNEEPJSA-N 2 0 222.332 1.166 20 0 BDADRP [NH3+][C@H]1CC12CC([NH2+]CCC1CC(F)(F)C1)C2 ZINC001580167333 986642936 /nfs/dbraw/zinc/64/29/36/986642936.db2.gz YHIUXIIFAIRYJK-YVNMAJEFSA-N 2 0 230.302 1.891 20 0 BDADRP COC1(C)CC[NH+]([C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254516779 986651704 /nfs/dbraw/zinc/65/17/04/986651704.db2.gz PCPUIAIRTMZVON-ZDUSSCGKSA-N 2 0 240.391 1.972 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH+]2CCC[C@](C)(O)CC2)CC1 ZINC001254515980 986658480 /nfs/dbraw/zinc/65/84/80/986658480.db2.gz IBCLIWQAMCFIQA-KBPBESRZSA-N 2 0 240.391 1.708 20 0 BDADRP C[N@@H+]1CCC[C@H]([NH+]2CC[C@@]23CCOC3)CC1 ZINC001254532363 986673204 /nfs/dbraw/zinc/67/32/04/986673204.db2.gz RVGBGXVZRZGUOT-STQMWFEESA-N 2 0 224.348 1.336 20 0 BDADRP [NH3+]CC1(C(=O)Nc2ccc3c[nH+]cn3c2)CC1 ZINC001580240593 986691421 /nfs/dbraw/zinc/69/14/21/986691421.db2.gz XLEJMOWGCCTXSQ-UHFFFAOYSA-N 2 0 230.271 1.012 20 0 BDADRP [NH3+]CC12CCC(CC1)[N@@H+]2C[C@H]1C[C@@]12CCOC2 ZINC001580248097 986700049 /nfs/dbraw/zinc/70/00/49/986700049.db2.gz GVHMHSFQKNJTRA-NELGMTEASA-N 2 0 236.359 1.369 20 0 BDADRP [NH3+]CC1CC([NH2+]C[C@]23C[C@H]2COC32CCC2)C1 ZINC001580256231 986711171 /nfs/dbraw/zinc/71/11/71/986711171.db2.gz RRUCUBRFGRDAPC-PYNQCMFNSA-N 2 0 236.359 1.273 20 0 BDADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2O3)C1 ZINC001580260811 986713781 /nfs/dbraw/zinc/71/37/81/986713781.db2.gz SDNSANRBXNIXQN-YBXAARCKSA-N 2 0 210.321 1.023 20 0 BDADRP [NH3+]C[C@H]1CCCC12CC[NH+](Cc1cc[nH]n1)CC2 ZINC001580261172 986715157 /nfs/dbraw/zinc/71/51/57/986715157.db2.gz WVPDTMPODDQESI-GFCCVEGCSA-N 2 0 248.374 1.751 20 0 BDADRP [NH3+]C[C@H]1CN(CC2CC3(CCC3)C2)CCO1 ZINC001580274750 986722016 /nfs/dbraw/zinc/72/20/16/986722016.db2.gz ORQAFOBAEXKEAP-LBPRGKRZSA-N 2 0 224.348 1.226 20 0 BDADRP [NH3+]CC[C@H](O)C[N@H+](CC1CC1)CC1CCC1 ZINC001580284434 986728108 /nfs/dbraw/zinc/72/81/08/986728108.db2.gz CKUVSMGGDROZEO-ZDUSSCGKSA-N 2 0 226.364 1.208 20 0 BDADRP [NH3+]CC[C@@H](O)C[NH2+]C1(C2CCC2)CCC1 ZINC001580284683 986730039 /nfs/dbraw/zinc/73/00/39/986730039.db2.gz OFTYKIADXRYOTL-LLVKDONJSA-N 2 0 212.337 1.009 20 0 BDADRP [NH3+]CCC1CC([NH2+][C@@H]2CCO[C@H]2C2CC2)C1 ZINC001580286275 986732110 /nfs/dbraw/zinc/73/21/10/986732110.db2.gz BPOJMRQXIFVXEB-BVIDSFGJSA-N 2 0 224.348 1.271 20 0 BDADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC001580334173 986776187 /nfs/dbraw/zinc/77/61/87/986776187.db2.gz XQHMTIJFQGEDBR-VLJOUNFMSA-N 2 0 236.359 1.271 20 0 BDADRP [NH3+]Cc1ccc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)cc1 ZINC001580336999 986780507 /nfs/dbraw/zinc/78/05/07/986780507.db2.gz BKNKWJQNGLGAAN-UONOGXRCSA-N 2 0 232.327 1.102 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@@H](c3ccncc3)C2)C1 ZINC001580387372 986813084 /nfs/dbraw/zinc/81/30/84/986813084.db2.gz BOWZAYMFOGWTNF-NWANDNLSSA-N 2 0 245.370 1.998 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2Cc3cccc(O)c3C2)C1 ZINC001580389462 986816476 /nfs/dbraw/zinc/81/64/76/986816476.db2.gz IASBLHFHSCCQIM-CYZMBNFOSA-N 2 0 246.354 1.576 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]C2CC(CF)(CF)C2)C1 ZINC001580422814 986839684 /nfs/dbraw/zinc/83/96/84/986839684.db2.gz DYHVKPLDICUFMJ-OCAPTIKFSA-N 2 0 204.264 1.154 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(O)c(F)c2)C1 ZINC001580423296 986841590 /nfs/dbraw/zinc/84/15/90/986841590.db2.gz WSLLTBWQAOYMSS-DTORHVGOSA-N 2 0 210.252 1.111 20 0 BDADRP C[C@@H]1CC[C@@H](N2CCC([NH+]3CCC3)CC2)C[NH2+]1 ZINC000700396042 986857646 /nfs/dbraw/zinc/85/76/46/986857646.db2.gz UDSVEWMQBDPUGQ-TZMCWYRMSA-N 2 0 237.391 1.297 20 0 BDADRP Nc1ncccc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC001580472520 986867893 /nfs/dbraw/zinc/86/78/93/986867893.db2.gz LLWVIFVTSPQYGN-WDEREUQCSA-N 2 0 220.320 1.023 20 0 BDADRP O=C(C[NH2+]CC1CC1)Nc1ccc2c[nH+]cn2c1 ZINC001580555761 986904297 /nfs/dbraw/zinc/90/42/97/986904297.db2.gz DUSZGDWVOOZLIZ-UHFFFAOYSA-N 2 0 244.298 1.272 20 0 BDADRP [NH3+]Cc1cnccc1-c1cccn2c[nH+]cc12 ZINC001245560465 986955639 /nfs/dbraw/zinc/95/56/39/986955639.db2.gz MXNJLWSKWLNFAR-UHFFFAOYSA-N 2 0 224.267 1.855 20 0 BDADRP C[N@@H+]1CC[C@H](n2ccnc2[C@H]2CCC[NH2+]C2)C1 ZINC001255439339 986963769 /nfs/dbraw/zinc/96/37/69/986963769.db2.gz SQJOOEPSFAMHFI-RYUDHWBXSA-N 2 0 234.347 1.227 20 0 BDADRP C[N@@H+]1CCC[C@H](n2nc(C[NH3+])c3ccccc32)C1 ZINC001255469526 986974036 /nfs/dbraw/zinc/97/40/36/986974036.db2.gz CJNMEPQRPUJQLR-NSHDSACASA-N 2 0 244.342 1.762 20 0 BDADRP CCCC[C@H](O)C[N@@H+]1[C@@H](C)CC[C@H]1CN ZINC001246014881 987294810 /nfs/dbraw/zinc/29/48/10/987294810.db2.gz DPFDOPZNLROFGN-SRVKXCTJSA-N 2 0 214.353 1.349 20 0 BDADRP CCCC[C@H](O)C[NH+]1CCC(C[NH3+])CC1 ZINC001246014313 987297289 /nfs/dbraw/zinc/29/72/89/987297289.db2.gz ASZHWMQZNBLQGB-LBPRGKRZSA-N 2 0 214.353 1.208 20 0 BDADRP CCC[N@@H+]1CC[C@H](CN[C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000693030511 987303033 /nfs/dbraw/zinc/30/30/33/987303033.db2.gz HUBRFBSTBNSSFC-MCIONIFRSA-N 2 0 239.407 1.448 20 0 BDADRP CCCCC[C@@H](O)C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001246017655 987304339 /nfs/dbraw/zinc/30/43/39/987304339.db2.gz SJFSSEROEHNETE-QWHCGFSZSA-N 2 0 228.380 1.741 20 0 BDADRP CC(C)(C)[C@@H](O)C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246019620 987309412 /nfs/dbraw/zinc/30/94/12/987309412.db2.gz GPHXRWJDZACERQ-GXTWGEPZSA-N 2 0 242.407 1.844 20 0 BDADRP CCCC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001246023254 987312764 /nfs/dbraw/zinc/31/27/64/987312764.db2.gz PDIBKHWQPVCSSL-IHRRRGAJSA-N 2 0 242.407 1.844 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)Cc1ccccn1 ZINC000694063592 987319607 /nfs/dbraw/zinc/31/96/07/987319607.db2.gz NYFRFBZWOSESEB-OLZOCXBDSA-N 2 0 235.375 1.942 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)Cc1ccccn1 ZINC000694063594 987321382 /nfs/dbraw/zinc/32/13/82/987321382.db2.gz NYFRFBZWOSESEB-STQMWFEESA-N 2 0 235.375 1.942 20 0 BDADRP CCCC[C@H](O)C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246025902 987327836 /nfs/dbraw/zinc/32/78/36/987327836.db2.gz ZVYORYVLUQYZCG-STQMWFEESA-N 2 0 228.380 1.741 20 0 BDADRP CCCC[C@H](O)C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246052527 987344706 /nfs/dbraw/zinc/34/47/06/987344706.db2.gz NRMAQJKBHBCEIC-MJBXVCDLSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@H]2CCCC[NH2+]C2)C[C@H](C)O1 ZINC000697036804 987346627 /nfs/dbraw/zinc/34/66/27/987346627.db2.gz MAPLQEMCPPZQHR-RDBSUJKOSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246063878 987354125 /nfs/dbraw/zinc/35/41/25/987354125.db2.gz DIJOUAQZBCIRTM-FRRDWIJNSA-N 2 0 237.391 1.249 20 0 BDADRP C[NH2+]CCN[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246072555 987360407 /nfs/dbraw/zinc/36/04/07/987360407.db2.gz JAWAOKITJVNPSM-GFCCVEGCSA-N 2 0 225.380 1.250 20 0 BDADRP C[C@@H](Cc1ccccn1)[NH2+]CC1([NH3+])CCCC1 ZINC001246075593 987364856 /nfs/dbraw/zinc/36/48/56/987364856.db2.gz LCNLASGXYHFIEK-LBPRGKRZSA-N 2 0 233.359 1.874 20 0 BDADRP CC[N@@H+]1CCC[C@H]1CN[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246074400 987365292 /nfs/dbraw/zinc/36/52/92/987365292.db2.gz PFBCWMBQZXFKRQ-AGIUHOORSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H]1CC[C@@H](CNC2C[C@@H](C)[NH2+][C@H](C)C2)C[NH2+]1 ZINC001246078321 987367736 /nfs/dbraw/zinc/36/77/36/987367736.db2.gz AHRGTXPTCKMFOK-FDYHWXHSSA-N 2 0 239.407 1.493 20 0 BDADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CC2([NH3+])CCCC2)C1 ZINC001246077696 987369877 /nfs/dbraw/zinc/36/98/77/987369877.db2.gz XJBQZZUFIDFASY-GHMZBOCLSA-N 2 0 240.347 1.189 20 0 BDADRP CC1CCC([NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)CC1 ZINC001246080419 987371895 /nfs/dbraw/zinc/37/18/95/987371895.db2.gz GPFWJMPULAZSRJ-IFWUJCSASA-N 2 0 244.354 1.217 20 0 BDADRP CCOCC[C@@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246090659 987377530 /nfs/dbraw/zinc/37/75/30/987377530.db2.gz LOLHBSHSICMXRF-VXGBXAGGSA-N 2 0 214.353 1.533 20 0 BDADRP CC1(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CCCC1 ZINC001246084161 987381572 /nfs/dbraw/zinc/38/15/72/987381572.db2.gz WQBCKFJRESTOLF-GFCCVEGCSA-N 2 0 237.391 1.250 20 0 BDADRP C[C@H](Cc1ccco1)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246086346 987384607 /nfs/dbraw/zinc/38/46/07/987384607.db2.gz UJQMMCBQTBSWFU-TUAOUCFPSA-N 2 0 222.332 1.941 20 0 BDADRP CCC[C@@H](CC)[NH2+]C[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001246085704 987387144 /nfs/dbraw/zinc/38/71/44/987387144.db2.gz YFSWQOLSXIVJMH-GRYCIOLGSA-N 2 0 232.343 1.217 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC001246090197 987392424 /nfs/dbraw/zinc/39/24/24/987392424.db2.gz FLYLWKIZVYGZKI-ZOBORPQBSA-N 2 0 240.391 1.922 20 0 BDADRP CC[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)C1 ZINC001246089385 987394096 /nfs/dbraw/zinc/39/40/96/987394096.db2.gz PNNUVZNVPPVEHU-MROQNXINSA-N 2 0 244.354 1.217 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H](F)C2)CC[NH2+]1 ZINC001246090740 987398577 /nfs/dbraw/zinc/39/85/77/987398577.db2.gz YQISGFPRSHYVQF-KKOKHZNYSA-N 2 0 214.328 1.997 20 0 BDADRP C[C@@H]1C[C@H](NC[C@]2(C)CCCC[NH2+]C2)CC[NH2+]1 ZINC001246092984 987400659 /nfs/dbraw/zinc/40/06/59/987400659.db2.gz UGXMWEUSKLUWGT-MGPQQGTHSA-N 2 0 239.407 1.496 20 0 BDADRP CC(C)[C@@H]1C[C@H](NC[C@@H]2C[C@H](F)C[NH2+]2)CC[NH2+]1 ZINC001246094898 987404928 /nfs/dbraw/zinc/40/49/28/987404928.db2.gz GTMDONCRETWQIF-RNJOBUHISA-N 2 0 243.370 1.053 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H](O)C2)CC[NH2+]1 ZINC001246095747 987406215 /nfs/dbraw/zinc/40/62/15/987406215.db2.gz RNXMAAPKBCVGHC-WISYIIOYSA-N 2 0 212.337 1.020 20 0 BDADRP C[C@@H]1C[C@H](N[C@H]2CC[NH2+]CC[C@H]2C)CC[NH2+]1 ZINC001246096297 987407269 /nfs/dbraw/zinc/40/72/69/987407269.db2.gz UAWRAZARPZEOHE-LPWJVIDDSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246098956 987412564 /nfs/dbraw/zinc/41/25/64/987412564.db2.gz UITAIAHHXPXBFE-MWWBDVBNSA-N 2 0 237.391 1.247 20 0 BDADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[NH2+]C[C@H](C)C2)C1 ZINC001246098556 987414491 /nfs/dbraw/zinc/41/44/91/987414491.db2.gz JVELDMQJLMFHTL-YIYPIFLZSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](CN[C@@H]2CC[NH2+]C(C)(C)C2)C1 ZINC001246099410 987414800 /nfs/dbraw/zinc/41/48/00/987414800.db2.gz LTOBFBVWHUMCAP-RWMBFGLXSA-N 2 0 239.407 1.352 20 0 BDADRP C[C@@H]1CC[C@H](CN[C@H]2CC[C@@H](C)[NH2+]C2)C[NH2+]1 ZINC001246099710 987418765 /nfs/dbraw/zinc/41/87/65/987418765.db2.gz RVBJOSLCSAHOJJ-NDBYEHHHSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1CC(NC[C@H]2CC[C@H](C)C[NH2+]2)C[C@@H](C)[NH2+]1 ZINC001246104038 987426535 /nfs/dbraw/zinc/42/65/35/987426535.db2.gz IJSHOOPATNJRND-UMSGYPCISA-N 2 0 239.407 1.493 20 0 BDADRP C[C@@H]1CC(NC[C@@H]2CC[C@H](C)C[NH2+]2)C[C@@H](C)[NH2+]1 ZINC001246104035 987426794 /nfs/dbraw/zinc/42/67/94/987426794.db2.gz IJSHOOPATNJRND-LOWDOPEQSA-N 2 0 239.407 1.493 20 0 BDADRP C[C@@H]1CC[C@H](CNC2CC[NH+](C)CC2)C[NH2+]1 ZINC001246103824 987430711 /nfs/dbraw/zinc/43/07/11/987430711.db2.gz XZMLHHNOYXPHGC-NEPJUHHUSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H]1C[NH2+]C[C@@H](C[NH2+]C2C[C@@H]3C=C[C@H](C2)O3)C1 ZINC001246106319 987433142 /nfs/dbraw/zinc/43/31/42/987433142.db2.gz XBXGWNKMFNGMBC-WSOGJNRSSA-N 2 0 236.359 1.308 20 0 BDADRP C[C@H](Cc1ccncc1)[NH2+]C[C@@H]1CCC[NH2+][C@@H]1C ZINC001246106134 987433460 /nfs/dbraw/zinc/43/34/60/987433460.db2.gz DEQDDNVDGQDWQX-NFAWXSAZSA-N 2 0 247.386 1.990 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246108056 987435698 /nfs/dbraw/zinc/43/56/98/987435698.db2.gz BVLBOLLZIJCMSK-XGFWRYKXSA-N 2 0 237.391 1.105 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+]C2C[C@@H]3C=C[C@H](C2)O3)[NH2+]C1 ZINC001246107746 987437183 /nfs/dbraw/zinc/43/71/83/987437183.db2.gz UNTDHBSKJAVWDJ-DUJLVANISA-N 2 0 236.359 1.450 20 0 BDADRP COC(=O)CC[C@H](C)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1C ZINC001246117285 987457656 /nfs/dbraw/zinc/45/76/56/987457656.db2.gz YWSWLKPFDGGABV-SRVKXCTJSA-N 2 0 242.363 1.163 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1C[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001246117441 987457985 /nfs/dbraw/zinc/45/79/85/987457985.db2.gz BATDVKBHOAFQRR-DUJLVANISA-N 2 0 236.359 1.308 20 0 BDADRP C[C@H]1CC[NH2+]C[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001246117956 987460955 /nfs/dbraw/zinc/46/09/55/987460955.db2.gz DEYRVIYPDFRSJP-PJIALRRASA-N 2 0 238.375 1.532 20 0 BDADRP C1[NH2+]CC1N[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246121806 987468675 /nfs/dbraw/zinc/46/86/75/987468675.db2.gz TVDQANYBOARNPQ-NSHDSACASA-N 2 0 223.364 1.003 20 0 BDADRP CCCCC[C@@H](CC)[NH2+]CCN1CC[NH2+]CC1 ZINC001246120923 987469487 /nfs/dbraw/zinc/46/94/87/987469487.db2.gz QEZTZXJRJWPFOM-CQSZACIVSA-N 2 0 241.423 1.840 20 0 BDADRP C[C@@H]1CCC[C@H]([NH2+][C@H]2C[NH2+]CC23CC3)C1 ZINC001246129754 987476984 /nfs/dbraw/zinc/47/69/84/987476984.db2.gz HVYKHKKGEDMLPD-WOPDTQHZSA-N 2 0 208.349 1.907 20 0 BDADRP C[C@@H]1CCC[C@H]([NH2+][C@@H]2C[NH2+]CC23CC3)C1 ZINC001246129748 987478211 /nfs/dbraw/zinc/47/82/11/987478211.db2.gz HVYKHKKGEDMLPD-GRYCIOLGSA-N 2 0 208.349 1.907 20 0 BDADRP C[NH+](C)CCCCC[NH2+][C@@H]1CCCNC1 ZINC001246170937 987478993 /nfs/dbraw/zinc/47/89/93/987478993.db2.gz PBYMNVGIJKQLKU-GFCCVEGCSA-N 2 0 213.369 1.060 20 0 BDADRP C1[NH2+]C[C@H]2OC[C@@H]([NH2+]C3CCCCCCC3)[C@@H]12 ZINC001246139891 987500549 /nfs/dbraw/zinc/50/05/49/987500549.db2.gz XITPWPHHZWNCEO-MGPQQGTHSA-N 2 0 238.375 1.676 20 0 BDADRP CCCC[C@H]1C[C@@H](N[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC001246147120 987501928 /nfs/dbraw/zinc/50/19/28/987501928.db2.gz JJAXGCRBWJQIOM-RWMBFGLXSA-N 2 0 225.380 1.249 20 0 BDADRP CCCC[C@@H](CC)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@@H]1COC2 ZINC001246147833 987502885 /nfs/dbraw/zinc/50/28/85/987502885.db2.gz KFACWCQGUZWIBY-RQJABVFESA-N 2 0 240.391 1.779 20 0 BDADRP C([NH2+]C1CCCC1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001246149136 987508116 /nfs/dbraw/zinc/50/81/16/987508116.db2.gz TYLIJNRPVVHJDY-CYBMUJFWSA-N 2 0 237.391 1.393 20 0 BDADRP [NH3+]CCc1ccc(N[C@@H]2CCC[NH2+]C2)cc1 ZINC001246162603 987521686 /nfs/dbraw/zinc/52/16/86/987521686.db2.gz PTQONFLAVFGERU-CYBMUJFWSA-N 2 0 219.332 1.352 20 0 BDADRP CC[NH+](CC)CCCC[NH2+]C1CC[NH2+]CC1 ZINC001246160239 987522001 /nfs/dbraw/zinc/52/20/01/987522001.db2.gz DGWQSTANIXAKDV-UHFFFAOYSA-N 3 0 227.396 1.450 20 0 BDADRP C([NH2+]C1CCC2(C[NH2+]C2)CC1)[C@H]1CCCCN1 ZINC001246167330 987529244 /nfs/dbraw/zinc/52/92/44/987529244.db2.gz FPTIGLZCPWJMLR-CYBMUJFWSA-N 2 0 237.391 1.250 20 0 BDADRP C(N[C@H]1CC[NH2+]C2(CCC2)C1)[C@H]1CCCC[NH2+]1 ZINC001246168222 987533559 /nfs/dbraw/zinc/53/35/59/987533559.db2.gz IJEBPRCXAKTATC-QWHCGFSZSA-N 2 0 237.391 1.393 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C2CC3(C2)CC[NH2+]CC3)CC[NH2+]1 ZINC001246168598 987535242 /nfs/dbraw/zinc/53/52/42/987535242.db2.gz DYVJZSOMHNRMRX-VXGBXAGGSA-N 3 0 237.391 1.249 20 0 BDADRP C[C@H]1C[C@@H](NCc2ccccc2N)CC[NH2+]1 ZINC001246173443 987539666 /nfs/dbraw/zinc/53/96/66/987539666.db2.gz UBFVRMPTGZDZDV-JQWIXIFHSA-N 2 0 219.332 1.499 20 0 BDADRP C[C@H]1CC[C@@H](Nc2cccc(F)c2C[NH3+])C[NH2+]1 ZINC001246175438 987542727 /nfs/dbraw/zinc/54/27/27/987542727.db2.gz ZFWQODIUROUHGA-VHSXEESVSA-N 2 0 237.322 1.837 20 0 BDADRP c1ccn(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001246175096 987543426 /nfs/dbraw/zinc/54/34/26/987543426.db2.gz SICUKCWGJPFXLU-FUNVUKJBSA-N 2 0 219.332 1.361 20 0 BDADRP c1cc(CCC[NH2+]C2CC[NH2+]CC2)ccn1 ZINC001246176418 987545395 /nfs/dbraw/zinc/54/53/95/987545395.db2.gz QFDDECIVMABZGO-UHFFFAOYSA-N 2 0 219.332 1.356 20 0 BDADRP Cc1ncn([C@@H]2CC[C@H](C)[NH2+]C2)c1CC[NH3+] ZINC001246175754 987545804 /nfs/dbraw/zinc/54/58/04/987545804.db2.gz AXSMISAHVWUBHH-GXSJLCMTSA-N 2 0 222.336 1.006 20 0 BDADRP C[C@@H]1C[C@@H](Nc2cccc(C[NH3+])c2)CC[NH2+]1 ZINC001246179155 987548033 /nfs/dbraw/zinc/54/80/33/987548033.db2.gz OKDHVCZQTHMVIE-MFKMUULPSA-N 2 0 219.332 1.698 20 0 BDADRP C([NH2+][C@@H]1CCCC[NH2+]C1)[C@@H]1CC12CC[NH2+]CC2 ZINC001246185673 987560464 /nfs/dbraw/zinc/56/04/64/987560464.db2.gz VHWWHQJLTNJYIE-QWHCGFSZSA-N 3 0 237.391 1.108 20 0 BDADRP C[C@H]1CC[C@@H](n2ccc3cc(C[NH3+])cnc32)C[NH2+]1 ZINC001246189626 987571299 /nfs/dbraw/zinc/57/12/99/987571299.db2.gz OLIRJUVDLYMRFS-GXFFZTMASA-N 2 0 244.342 1.808 20 0 BDADRP CC[C@@H]1C[C@H](NC[C@@H]2CCC[NH2+]2)C[C@H](CC)[NH2+]1 ZINC001246187756 987574821 /nfs/dbraw/zinc/57/48/21/987574821.db2.gz CYSSONGYVXUSFR-RFQIPJPRSA-N 2 0 239.407 1.637 20 0 BDADRP CC(C)[NH+]1CCC(C[NH2+][C@H]2CCCNC2)CC1 ZINC001246193173 987584311 /nfs/dbraw/zinc/58/43/11/987584311.db2.gz UTEQYADZDGKPGA-AWEZNQCLSA-N 2 0 239.407 1.448 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)NC[C@H]1CCC[NH2+]C1 ZINC001246201020 987594221 /nfs/dbraw/zinc/59/42/21/987594221.db2.gz UDKUPUFIUITXLB-KGLIPLIRSA-N 2 0 241.423 1.696 20 0 BDADRP C[NH2+]CC[C@@H](C)[NH2+]CC[C@H]1CC[C@@H]([NH3+])CC1 ZINC001246202058 987598921 /nfs/dbraw/zinc/59/89/21/987598921.db2.gz LWSCXHPFYXOHKO-UPJWGTAASA-N 3 0 227.396 1.482 20 0 BDADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]C2CC[NH2+]CC2)CC1 ZINC001246208014 987601843 /nfs/dbraw/zinc/60/18/43/987601843.db2.gz ZVAXWAUJGDQAPS-HAQNSBGRSA-N 2 0 225.380 1.093 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC2(C)CC[NH2+]CC2)CC[NH2+]1 ZINC001246210221 987605793 /nfs/dbraw/zinc/60/57/93/987605793.db2.gz IWYJCIXOGGLHMY-NWDGAFQWSA-N 3 0 225.380 1.106 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)CN1 ZINC001246210680 987607276 /nfs/dbraw/zinc/60/72/76/987607276.db2.gz JMCDRYJEJJIFMD-VXGBXAGGSA-N 2 0 225.380 1.106 20 0 BDADRP C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CN1 ZINC001246213100 987611000 /nfs/dbraw/zinc/61/10/00/987611000.db2.gz YNEXSQLLVGUJCN-CYDGBPFRSA-N 2 0 225.380 1.234 20 0 BDADRP C[C@H]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CN1 ZINC001246220883 987620509 /nfs/dbraw/zinc/62/05/09/987620509.db2.gz GUPQGTSLGDGGEW-QSLWVIQJSA-N 2 0 237.391 1.247 20 0 BDADRP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C[NH3+])CC2)CC[NH2+]1 ZINC001246224045 987621961 /nfs/dbraw/zinc/62/19/61/987621961.db2.gz MTDILRVQCFDAGN-WUHRBBMRSA-N 3 0 225.380 1.234 20 0 BDADRP C1C[C@]2(C[NH2+]1)CCC[C@@H]([NH2+][C@@H]1CCCNC1)C2 ZINC001246228197 987626266 /nfs/dbraw/zinc/62/62/66/987626266.db2.gz VKOXWZOJDPXKEM-MGPQQGTHSA-N 3 0 237.391 1.250 20 0 BDADRP [NH3+]Cc1ccc2ncn([C@@H]3CCC[NH2+]C3)c2c1 ZINC001246231876 987628942 /nfs/dbraw/zinc/62/89/42/987628942.db2.gz SVOXWKUXBTUUHX-LLVKDONJSA-N 2 0 230.315 1.420 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H](C[NH3+])CC2)CN1 ZINC001246230845 987630208 /nfs/dbraw/zinc/63/02/08/987630208.db2.gz YNEXSQLLVGUJCN-FVCCEPFGSA-N 2 0 225.380 1.234 20 0 BDADRP C1C[C@H]2CC[C@H]([NH2+]C3CC[NH2+]CC3)[C@H]2C1 ZINC001246230980 987630342 /nfs/dbraw/zinc/63/03/42/987630342.db2.gz QEUKULKKAYBJHT-DRZSPHRISA-N 2 0 208.349 1.907 20 0 BDADRP C1=C(CC[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CCCC1 ZINC001246237141 987635784 /nfs/dbraw/zinc/63/57/84/987635784.db2.gz HBIOHSCMQDEGRT-AWEZNQCLSA-N 2 0 249.402 1.561 20 0 BDADRP C[C@@H]([NH3+])c1ccn([C@@H]2CC[C@@H](C)[NH2+]C2)n1 ZINC001246251182 987647602 /nfs/dbraw/zinc/64/76/02/987647602.db2.gz YGWAHSNBBZUHMA-OPRDCNLKSA-N 2 0 208.309 1.216 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)C1CC[NH2+]CC1 ZINC001246254622 987651409 /nfs/dbraw/zinc/65/14/09/987651409.db2.gz ZGABNNYBIKRNHQ-WCQYABFASA-N 3 0 225.380 1.106 20 0 BDADRP CCCC[C@H]1C[C@@H](NCC(C)(C)C[NH3+])CC[NH2+]1 ZINC001246253494 987652419 /nfs/dbraw/zinc/65/24/19/987652419.db2.gz YSMLFWQYQSRZGB-STQMWFEESA-N 2 0 241.423 1.872 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C[Si](C)(C)C)CC[NH2+]1 ZINC001246265525 987658003 /nfs/dbraw/zinc/65/80/03/987658003.db2.gz HULQKPPLNXKXTO-UWVGGRQHSA-N 2 0 200.402 1.594 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCc2cncs2)CC[NH2+]1 ZINC001246270830 987658009 /nfs/dbraw/zinc/65/80/09/987658009.db2.gz NHEHOJIJTUHLHI-ZJUUUORDSA-N 2 0 225.361 1.416 20 0 BDADRP [NH3+]Cc1ccn(C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001246267590 987662113 /nfs/dbraw/zinc/66/21/13/987662113.db2.gz UQJDJANJQVIUNH-FOSCPWQOSA-N 2 0 205.305 1.402 20 0 BDADRP CCC[NH2+]CCN[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246268111 987663148 /nfs/dbraw/zinc/66/31/48/987663148.db2.gz HYOIRHZVYJALSP-STQMWFEESA-N 2 0 241.423 1.742 20 0 BDADRP CCC[NH2+]CCN[C@@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246270527 987666692 /nfs/dbraw/zinc/66/66/92/987666692.db2.gz ORIXIBRWXJPMNY-OLZOCXBDSA-N 2 0 227.396 1.352 20 0 BDADRP CCCC[C@@H]1C[C@@H](N[C@H]2CC[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246278651 987672670 /nfs/dbraw/zinc/67/26/70/987672670.db2.gz LFLJSVXCGUNDHM-CRWXNKLISA-N 2 0 239.407 1.767 20 0 BDADRP C[C@H]1CC[C@@H](NCC2([NH3+])CCCCC2)C[NH2+]1 ZINC001246278945 987672579 /nfs/dbraw/zinc/67/25/79/987672579.db2.gz KMRBLDMBYWJUBA-NWDGAFQWSA-N 2 0 225.380 1.378 20 0 BDADRP C[NH2+]CC[C@@H](C)NC[C@H]([NH3+])c1ccccc1 ZINC001246280766 987675330 /nfs/dbraw/zinc/67/53/30/987675330.db2.gz WJCJWGJGOMGJDS-YPMHNXCESA-N 2 0 221.348 1.274 20 0 BDADRP CC1(C)C[C@@H](NCC2([NH3+])CCCCC2)CC[NH2+]1 ZINC001246280398 987676286 /nfs/dbraw/zinc/67/62/86/987676286.db2.gz USEWJDRPQJCWOT-LBPRGKRZSA-N 2 0 239.407 1.768 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)NCC[C@H](C)[NH3+] ZINC001246303238 987687162 /nfs/dbraw/zinc/68/71/62/987687162.db2.gz FCNOMCZCYWCNGA-NWDGAFQWSA-N 2 0 215.385 1.434 20 0 BDADRP CCCC[C@H]1C[C@@H](NCC[C@H](C)[NH3+])CC[NH2+]1 ZINC001246303343 987700437 /nfs/dbraw/zinc/70/04/37/987700437.db2.gz HNPSPSMMJSMMAP-AVGNSLFASA-N 2 0 227.396 1.624 20 0 BDADRP CC[C@H]([NH3+])CCN[C@@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246310190 987711841 /nfs/dbraw/zinc/71/18/41/987711841.db2.gz ZNYGAXXHOJLTFB-YNEHKIRRSA-N 2 0 227.396 1.480 20 0 BDADRP COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246310888 987712409 /nfs/dbraw/zinc/71/24/09/987712409.db2.gz OKVQYXWYCJDLFY-QCNOEVLYSA-N 2 0 240.347 1.058 20 0 BDADRP COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC001246310885 987712803 /nfs/dbraw/zinc/71/28/03/987712803.db2.gz OKVQYXWYCJDLFY-KKOKHZNYSA-N 2 0 240.347 1.058 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@H](C)Cc1ccncc1 ZINC001246312137 987716827 /nfs/dbraw/zinc/71/68/27/987716827.db2.gz GCQYYGVXCWHUAM-ZYHUDNBSSA-N 2 0 207.321 1.340 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@H](C(=O)OC)CC1 ZINC001246312748 987717591 /nfs/dbraw/zinc/71/75/91/987717591.db2.gz HOHXIAVWERCLEH-SDDRHHMPSA-N 2 0 242.363 1.435 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC001246314757 987721171 /nfs/dbraw/zinc/72/11/71/987721171.db2.gz PUZRNIZBBGYGDG-DCAQKATOSA-N 2 0 200.326 1.271 20 0 BDADRP CC[C@H](C[NH3+])N[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246319238 987724211 /nfs/dbraw/zinc/72/42/11/987724211.db2.gz UCYOSYIOIQKZTP-ILXRZTDVSA-N 2 0 247.386 1.807 20 0 BDADRP [NH2+]=C(N[C@@H]1CCC[NH2+]C1)c1cccnc1Cl ZINC001246322206 987727589 /nfs/dbraw/zinc/72/75/89/987727589.db2.gz GKNXFGAWTNDRJF-MRVPVSSYSA-N 2 0 238.722 1.402 20 0 BDADRP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C[NH3+])CC[NH2+]1 ZINC001246322253 987728254 /nfs/dbraw/zinc/72/82/54/987728254.db2.gz GQJYTXSGCDDBPS-SMDDNHRTSA-N 3 0 233.359 1.375 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH3+])CC[NH2+]1 ZINC001246322252 987729056 /nfs/dbraw/zinc/72/90/56/987729056.db2.gz GQJYTXSGCDDBPS-RISCZKNCSA-N 3 0 233.359 1.375 20 0 BDADRP C[NH2+]Cc1cccc(C[NH2+]C2CC[NH2+]CC2)c1 ZINC001246326439 987730994 /nfs/dbraw/zinc/73/09/94/987730994.db2.gz VDYRONKGEOWFHK-UHFFFAOYSA-N 3 0 233.359 1.248 20 0 BDADRP [NH3+]Cc1ccc(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC001246325869 987731325 /nfs/dbraw/zinc/73/13/25/987731325.db2.gz KCORVTDUYWVVHT-HWYHXSKPSA-N 2 0 232.331 1.235 20 0 BDADRP C[C@H]1C[C@@H](Nc2ccc(C[NH3+])nc2)CC[NH2+]1 ZINC001246327057 987734299 /nfs/dbraw/zinc/73/42/99/987734299.db2.gz RANGECWUIRQMDC-UWVGGRQHSA-N 2 0 220.320 1.093 20 0 BDADRP C[C@@H](C[NH3+])CN[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246329796 987734390 /nfs/dbraw/zinc/73/43/90/987734390.db2.gz XETDAVRYDCPBOG-QWHCGFSZSA-N 3 0 239.407 1.626 20 0 BDADRP C[C@H](C[NH3+])CN[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246329794 987735602 /nfs/dbraw/zinc/73/56/02/987735602.db2.gz XETDAVRYDCPBOG-CHWSQXEVSA-N 3 0 239.407 1.626 20 0 BDADRP CC[C@@H]1C[C@H](N[C@@H]2CCC[NH2+][C@@H]2C)CC[NH2+]1 ZINC001246332057 987738500 /nfs/dbraw/zinc/73/85/00/987738500.db2.gz PIPHHBQFWNDUEK-FDYHWXHSSA-N 2 0 225.380 1.247 20 0 BDADRP C[C@@H]1CC[C@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[NH2+]1 ZINC001246331194 987740193 /nfs/dbraw/zinc/74/01/93/987740193.db2.gz JANLFPPSTIXRTD-DGTMBMJNSA-N 2 0 237.391 1.390 20 0 BDADRP C[NH2+]C1CCC([NH2+][C@@H]2CNCCC2(C)C)CC1 ZINC001246333098 987741517 /nfs/dbraw/zinc/74/15/17/987741517.db2.gz UMBBWHSSHHRBDM-WXRRBKDZSA-N 2 0 239.407 1.495 20 0 BDADRP CCCC[C@@H]1C[C@H](NC[C@H]([NH3+])C(C)C)CC[NH2+]1 ZINC001246333036 987743599 /nfs/dbraw/zinc/74/35/99/987743599.db2.gz PVNJNHFHHIOUBF-MCIONIFRSA-N 2 0 241.423 1.870 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCC2CCC(O)CC2)CC[NH2+]1 ZINC001246336604 987746539 /nfs/dbraw/zinc/74/65/39/987746539.db2.gz PRQUSJAVRUQCHJ-RJZJGCCBSA-N 2 0 240.391 1.658 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCN2CCC(F)(F)C2)CC[NH2+]1 ZINC001246339222 987750483 /nfs/dbraw/zinc/75/04/83/987750483.db2.gz BUXHZFMNNCCGQA-WDEREUQCSA-N 2 0 247.333 1.058 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCCc2cccc(N)c2)CC[NH2+]1 ZINC001246347009 987757537 /nfs/dbraw/zinc/75/75/37/987757537.db2.gz FXILNZCSXHBTTG-DOMZBBRYSA-N 2 0 247.386 1.932 20 0 BDADRP CC1([NH2+][C@H]2CCCNC2)Cc2ccccc2C1 ZINC001246349400 987757773 /nfs/dbraw/zinc/75/77/73/987757773.db2.gz KQQATRLYNGVUNF-AWEZNQCLSA-N 2 0 230.355 1.886 20 0 BDADRP CCOCC[C@H](C)[NH2+][C@@H]1CCCNC1 ZINC001246359666 987761939 /nfs/dbraw/zinc/76/19/39/987761939.db2.gz UPVUQNPCKUVLAF-WDEREUQCSA-N 2 0 200.326 1.143 20 0 BDADRP C[C@@H]1C[C@@H](N[C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)C[NH2+]1 ZINC001246358397 987769487 /nfs/dbraw/zinc/76/94/87/987769487.db2.gz DWFIKHUAOHBPRQ-LPWJVIDDSA-N 2 0 239.407 1.493 20 0 BDADRP [NH3+]CCc1cccc(N[C@@H]2CCC[NH2+]C2)c1 ZINC001246365154 987770145 /nfs/dbraw/zinc/77/01/45/987770145.db2.gz OIXJDQWFPSPJPH-CYBMUJFWSA-N 2 0 219.332 1.352 20 0 BDADRP CC1(C)C[NH2+]CC[C@H]1N[C@H]1CCCC[NH2+]C1 ZINC001246372842 987775898 /nfs/dbraw/zinc/77/58/98/987775898.db2.gz NLZWKIONBUNDPH-NWDGAFQWSA-N 2 0 225.380 1.106 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C2CCC3(C[NH2+]C3)CC2)CN1 ZINC001246380875 987777007 /nfs/dbraw/zinc/77/70/07/987777007.db2.gz YWUSHIITBRADNE-YPMHNXCESA-N 2 0 237.391 1.249 20 0 BDADRP CC[NH+]1CCC(C[N@H+](C)[C@H](C)CCO)CC1 ZINC001474607426 987778055 /nfs/dbraw/zinc/77/80/55/987778055.db2.gz PLRSYMODNGYKTA-GFCCVEGCSA-N 2 0 228.380 1.421 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC2(c3cnccn3)CC2)CC[NH2+]1 ZINC001246384959 987779575 /nfs/dbraw/zinc/77/95/75/987779575.db2.gz CSCCVGSRBNJDRH-NWDGAFQWSA-N 2 0 246.358 1.238 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C(C)(C)C(C)(C)O)CC[NH2+]1 ZINC001246391293 987780407 /nfs/dbraw/zinc/78/04/07/987780407.db2.gz SAMQUXQPLPPWJO-VHSXEESVSA-N 2 0 214.353 1.266 20 0 BDADRP C(C1CC1)C1([NH2+]C2CC[NH2+]CC2)CCOCC1 ZINC001246409802 987786532 /nfs/dbraw/zinc/78/65/32/987786532.db2.gz HFTZUSGTQZHJNT-UHFFFAOYSA-N 2 0 238.375 1.677 20 0 BDADRP CCC[C@H](Cc1ccccc1)[NH2+]CCNCC[NH3+] ZINC001246403201 987788452 /nfs/dbraw/zinc/78/84/52/987788452.db2.gz CJVZDNJVMNLLRH-OAHLLOKOSA-N 2 0 249.402 1.536 20 0 BDADRP NC(=O)[C@@H]([NH3+])CCCC[NH2+]C1CCCCCC1 ZINC001246420074 987794067 /nfs/dbraw/zinc/79/40/67/987794067.db2.gz WFHQTKGITIEFLI-LBPRGKRZSA-N 2 0 241.379 1.282 20 0 BDADRP CCC1(C[NH2+][C@H]2CCCNC2)CC[NH2+]CC1 ZINC001246422807 987794883 /nfs/dbraw/zinc/79/48/83/987794883.db2.gz OCCUIYCBXBABDT-LBPRGKRZSA-N 2 0 225.380 1.108 20 0 BDADRP CCC1(N[C@H]2CC[C@H](C)[NH2+]C2)CC[NH2+]CC1 ZINC001246422224 987795197 /nfs/dbraw/zinc/79/51/97/987795197.db2.gz AMIHGPYCEWMCEE-RYUDHWBXSA-N 2 0 225.380 1.249 20 0 BDADRP Fc1ccc(C2(CN[C@@H]3CCC[NH2+]C3)CC2)nc1 ZINC001246442424 987798795 /nfs/dbraw/zinc/79/87/95/987798795.db2.gz RWGULHUPHOPDIB-GFCCVEGCSA-N 2 0 249.333 1.594 20 0 BDADRP CSCC[C@@H](C)[NH2+][C@@H]1CC12C[NH2+]C2 ZINC001246445166 987800834 /nfs/dbraw/zinc/80/08/34/987800834.db2.gz NBODHTBSAYVCAY-RKDXNWHRSA-N 2 0 200.351 1.080 20 0 BDADRP CC(C)(C)[C@@H]1C[C@H](N[C@H]2CC23C[NH2+]C3)CC[NH2+]1 ZINC001246443166 987804060 /nfs/dbraw/zinc/80/40/60/987804060.db2.gz GFSOQACXSQKQFE-WOPDTQHZSA-N 2 0 237.391 1.105 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCCNC2)C1 ZINC001246446296 987805356 /nfs/dbraw/zinc/80/53/56/987805356.db2.gz BYYSLMGSINPATM-AGIUHOORSA-N 2 0 225.380 1.093 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+][C@H]2CC23C[NH2+]C3)C[C@H]1C ZINC001246446709 987806247 /nfs/dbraw/zinc/80/62/47/987806247.db2.gz TUYFHIMKKZHERY-WYUUTHIRSA-N 2 0 208.349 1.763 20 0 BDADRP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2C3)CC[NH2+]1 ZINC001246454033 987810972 /nfs/dbraw/zinc/81/09/72/987810972.db2.gz BXLPBDGIAYMQSM-OBPIAQAESA-N 2 0 208.349 1.905 20 0 BDADRP CCCC(CCC)[NH2+]CCCNCCC[NH3+] ZINC001246455726 987812191 /nfs/dbraw/zinc/81/21/91/987812191.db2.gz YBJQAGIJBICUQN-UHFFFAOYSA-N 2 0 229.412 1.873 20 0 BDADRP CCCC[C@H](C)[NH2+]CCC[NH2+]CCCC[NH3+] ZINC001246455007 987813233 /nfs/dbraw/zinc/81/32/33/987813233.db2.gz CUGZBOONRIFRQH-ZDUSSCGKSA-N 3 0 229.412 1.873 20 0 BDADRP CCCC(C[NH3+])(CCC)N[C@H]1CC[NH2+]C1 ZINC001246495464 987815146 /nfs/dbraw/zinc/81/51/46/987815146.db2.gz KZGFUMKMXIDSFY-NSHDSACASA-N 2 0 213.369 1.236 20 0 BDADRP C[NH2+][C@H]1C[C@H]([NH2+][C@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001246459353 987816000 /nfs/dbraw/zinc/81/60/00/987816000.db2.gz FXTBPYYMBAUWPP-XUXIUFHCSA-N 3 0 237.391 1.249 20 0 BDADRP CCC[C@@]1(CN[C@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC001246459880 987817270 /nfs/dbraw/zinc/81/72/70/987817270.db2.gz HRICQDZANGEIRQ-STQMWFEESA-N 2 0 225.380 1.250 20 0 BDADRP C[NH2+]CC[C@H](C)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001246458765 987817316 /nfs/dbraw/zinc/81/73/16/987817316.db2.gz BSKROZKUJQYNSF-GXTWGEPZSA-N 2 0 239.407 1.496 20 0 BDADRP CCC[C@@]1(CN[C@H]2CC[C@H](C)[NH2+]C2)CC[NH2+]1 ZINC001246461706 987818597 /nfs/dbraw/zinc/81/85/97/987818597.db2.gz PZDICFOUBLHRDR-AVGNSLFASA-N 2 0 225.380 1.249 20 0 BDADRP C[NH+](C)[C@H]1CC[C@@H]([NH2+]C2CC[NH2+]CC2)CC1 ZINC001246461537 987819073 /nfs/dbraw/zinc/81/90/73/987819073.db2.gz LMVFOVNDQXIZIF-BJHJDKERSA-N 3 0 225.380 1.201 20 0 BDADRP C[NH+](C)[C@H]1CC[C@@H]([NH2+][C@H]2CCCNC2)CC1 ZINC001246460213 987819250 /nfs/dbraw/zinc/81/92/50/987819250.db2.gz DKMGUXNYRYURIF-RWMBFGLXSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@]1([NH3+])C[C@H]([NH2+]C2CCC3(CC[NH2+]C3)CC2)C1 ZINC001246464697 987822838 /nfs/dbraw/zinc/82/28/38/987822838.db2.gz SRBHACGVNVKXPD-AKJUYKBHSA-N 2 0 237.391 1.378 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCc2cccc(N)c2)CC[NH2+]1 ZINC001246465788 987825690 /nfs/dbraw/zinc/82/56/90/987825690.db2.gz LWKRNMVQCRFXIS-FZMZJTMJSA-N 2 0 233.359 1.541 20 0 BDADRP [NH3+]Cc1ccc(NC2CC[NH2+]CC2)cc1F ZINC001246465569 987826991 /nfs/dbraw/zinc/82/69/91/987826991.db2.gz ZQCOBXYAWDUFMT-UHFFFAOYSA-N 2 0 223.295 1.448 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CNc3ccccc32)CC[NH2+]1 ZINC001246473963 987832409 /nfs/dbraw/zinc/83/24/09/987832409.db2.gz LVNSLLKIEGINQL-JHJVBQTASA-N 2 0 245.370 1.926 20 0 BDADRP F[C@H]1C[NH2+]CC[C@H]1C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC001246476703 987834199 /nfs/dbraw/zinc/83/41/99/987834199.db2.gz LVOLMJZIXDYQHS-SVNGYHJRSA-N 2 0 212.312 1.322 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N[C@H]1CCCC[C@H]1[NH3+] ZINC001246478068 987836057 /nfs/dbraw/zinc/83/60/57/987836057.db2.gz NIKBYJAMDFCSMA-MCIONIFRSA-N 2 0 241.423 1.966 20 0 BDADRP C[N@@H+]1CCC[C@H](N[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC001246478888 987837867 /nfs/dbraw/zinc/83/78/67/987837867.db2.gz PLERDHRVALCBGQ-XQQFMLRXSA-N 2 0 225.380 1.330 20 0 BDADRP C[NH2+][C@H]1C[C@@H](N[C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)C1 ZINC001246494145 987849419 /nfs/dbraw/zinc/84/94/19/987849419.db2.gz FFWHMGLNKABFJJ-NDBYEHHHSA-N 2 0 239.407 1.493 20 0 BDADRP C[NH2+][C@H]1C[C@@H](N[C@@H]2CC[NH2+][C@H](C(C)C)C2)C1 ZINC001246494922 987849739 /nfs/dbraw/zinc/84/97/39/987849739.db2.gz IHRBZBGNZDFQJU-NDBYEHHHSA-N 2 0 225.380 1.103 20 0 BDADRP CC(C)(C)[C@H]1C[C@H](NC23CC([NH3+])(C2)C3)CC[NH2+]1 ZINC001246501130 987855380 /nfs/dbraw/zinc/85/53/80/987855380.db2.gz KYLUDYZRPPMGIB-IENTYSSBSA-N 2 0 237.391 1.377 20 0 BDADRP CC(C)C[C@@H](C[NH3+])N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246501691 987856995 /nfs/dbraw/zinc/85/69/95/987856995.db2.gz BQMYMMXNOAOHES-WOPDTQHZSA-N 2 0 213.369 1.090 20 0 BDADRP C[C@@]1([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCOC1 ZINC001246508806 987861177 /nfs/dbraw/zinc/86/11/77/987861177.db2.gz DUJBCWINJWYRMF-ZGVCCVRISA-N 2 0 224.348 1.428 20 0 BDADRP C[N@@H+]1CCC[C@H](N[C@H](C[NH3+])c2ccccc2)CC1 ZINC001246508731 987861339 /nfs/dbraw/zinc/86/13/39/987861339.db2.gz YLVKQEVWCVXEAN-LSDHHAIUSA-N 2 0 247.386 1.760 20 0 BDADRP C[NH+](C)CC1CCC([NH2+][C@@H]2CCCNC2)CC1 ZINC001246513420 987861578 /nfs/dbraw/zinc/86/15/78/987861578.db2.gz WEMSFTNVCNOJAV-JXQTWKCFSA-N 2 0 239.407 1.448 20 0 BDADRP CC(C)[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1C[NH2+]C1 ZINC001246517396 987866762 /nfs/dbraw/zinc/86/67/62/987866762.db2.gz KZPIWQCHWRMXHU-QNMSZWNNSA-N 2 0 237.391 1.103 20 0 BDADRP CCC[NH+](CCC)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246523136 987872410 /nfs/dbraw/zinc/87/24/10/987872410.db2.gz WGDBPEHJRPVPDR-GFCCVEGCSA-N 2 0 225.380 1.202 20 0 BDADRP CCCC[C@H]1C[C@@H](N2CCC[NH2+]CC2)CC[NH2+]1 ZINC001246523205 987873155 /nfs/dbraw/zinc/87/31/55/987873155.db2.gz DLVUYQJXOWIESC-KBPBESRZSA-N 2 0 239.407 1.593 20 0 BDADRP C[NH2+]C1CN([C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)C1 ZINC001246524388 987875690 /nfs/dbraw/zinc/87/56/90/987875690.db2.gz OYOYCDSBVWDJIH-VXGBXAGGSA-N 2 0 225.380 1.057 20 0 BDADRP C[NH2+]C1CN([C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)C1 ZINC001246524385 987876274 /nfs/dbraw/zinc/87/62/74/987876274.db2.gz OYOYCDSBVWDJIH-NEPJUHHUSA-N 2 0 225.380 1.057 20 0 BDADRP CC[C@@H]1CC(N2CC([NH2+]C)C2)C[C@@H](CC)[NH2+]1 ZINC001246523517 987876382 /nfs/dbraw/zinc/87/63/82/987876382.db2.gz NDDIUAPPOKXABP-GHMZBOCLSA-N 2 0 225.380 1.199 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[NH2+]CC1 ZINC001246526541 987877832 /nfs/dbraw/zinc/87/78/32/987877832.db2.gz YXHJMEPLUKTXHD-AWEZNQCLSA-N 3 0 241.423 1.792 20 0 BDADRP CC[C@@H]1CC(N2C[C@@H](F)[C@@H]([NH3+])C2)C[C@@H](CC)[NH2+]1 ZINC001246527250 987881964 /nfs/dbraw/zinc/88/19/64/987881964.db2.gz SYSWMJVBUCOKQH-WFFHOREQSA-N 2 0 243.370 1.277 20 0 BDADRP C[C@@H]1C[C@@H](n2ccnc2CCC[NH3+])CC[NH2+]1 ZINC001246528304 987882150 /nfs/dbraw/zinc/88/21/50/987882150.db2.gz VUJPJYMZGFDCPT-MNOVXSKESA-N 2 0 222.336 1.087 20 0 BDADRP C1CC12CCC[N@@H+]2C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246533338 987891009 /nfs/dbraw/zinc/89/10/09/987891009.db2.gz CXWJYEYKDJMHQL-FOSCPWQOSA-N 2 0 206.333 1.898 20 0 BDADRP C[C@@H]1C[C@@H]([NH+]2CCC(C[NH3+])CC2)C[C@H](C)[NH2+]1 ZINC001246537145 987893952 /nfs/dbraw/zinc/89/39/52/987893952.db2.gz FJNOBYRGVJPWOW-PTEHBNRSSA-N 3 0 225.380 1.186 20 0 BDADRP [NH3+]CC1CC[NH+]([C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001246539414 987898681 /nfs/dbraw/zinc/89/86/81/987898681.db2.gz RRSVMMBMQCVYBD-CYBMUJFWSA-N 2 0 248.345 1.964 20 0 BDADRP CO[C@H]1CCC[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@H]2C)C1 ZINC001246541332 987911771 /nfs/dbraw/zinc/91/17/71/987911771.db2.gz GPSUYIVVVBSXFX-NOOOWODRSA-N 2 0 212.337 1.366 20 0 BDADRP CCC(CC)[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246542184 987911997 /nfs/dbraw/zinc/91/19/97/987911997.db2.gz JMYCJQDHMSOQGH-GFCCVEGCSA-N 2 0 214.353 1.351 20 0 BDADRP CSCC[C@H](C)[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246542993 987912167 /nfs/dbraw/zinc/91/21/67/987912167.db2.gz QWVGDQBZCUZRCU-GARJFASQSA-N 2 0 216.394 1.655 20 0 BDADRP CC[C@H]1C[C@H]([N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)CCO1 ZINC001246541475 987913729 /nfs/dbraw/zinc/91/37/29/987913729.db2.gz LSBPDULUYBABJV-LOWDOPEQSA-N 2 0 226.364 1.471 20 0 BDADRP CC[C@@H](C)[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246545602 987917154 /nfs/dbraw/zinc/91/71/54/987917154.db2.gz BWALIAQWCDLAIY-GHMZBOCLSA-N 2 0 202.317 1.938 20 0 BDADRP CCCC[C@H](C)[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246544210 987919297 /nfs/dbraw/zinc/91/92/97/987919297.db2.gz PMPFLUVEYDFWBS-STQMWFEESA-N 2 0 228.380 1.741 20 0 BDADRP CC(C)COCC[C@@H](C)[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246544275 987921974 /nfs/dbraw/zinc/92/19/74/987921974.db2.gz XACIWYNMOOOJQV-BFHYXJOUSA-N 2 0 242.407 1.964 20 0 BDADRP CC[NH+](CC)CC[C@H](C)N1CCC[C@@H]([NH3+])CC1 ZINC001246544911 987922840 /nfs/dbraw/zinc/92/28/40/987922840.db2.gz HXQMPZPGPJGWNT-UONOGXRCSA-N 2 0 241.423 1.920 20 0 BDADRP CC(C)[C@@H]1C[C@@H](N2CC[NH2+]CC[C@@H]2C)CC[NH2+]1 ZINC001246547036 987926186 /nfs/dbraw/zinc/92/61/86/987926186.db2.gz AJTANPLYLPLSAV-IHRRRGAJSA-N 2 0 239.407 1.447 20 0 BDADRP C[C@@H]1CC[C@@H](N2CCC[C@](F)(C[NH3+])CC2)C[NH2+]1 ZINC001246546522 987930592 /nfs/dbraw/zinc/93/05/92/987930592.db2.gz GTJBCORDUCTAED-JHJVBQTASA-N 2 0 243.370 1.280 20 0 BDADRP C[C@@H]1CC[N@@H+](C2CC[NH2+]CC2)CC[C@@H]1C[NH3+] ZINC001246553973 987948032 /nfs/dbraw/zinc/94/80/32/987948032.db2.gz ALZIPVXPWIIPRF-VXGBXAGGSA-N 2 0 225.380 1.045 20 0 BDADRP CCN(CC)C(=O)C[C@H](C)N1CC[C@@H]([NH3+])[C@H]1C ZINC001246552830 987953056 /nfs/dbraw/zinc/95/30/56/987953056.db2.gz ZZDVRYCPTOXKEX-QJPTWQEYSA-N 2 0 241.379 1.055 20 0 BDADRP CC1(C)C[C@H]([N@@H+]2CCC[C@](C)([NH3+])CC2)CO1 ZINC001246551697 987955121 /nfs/dbraw/zinc/95/51/21/987955121.db2.gz MLQZNXIRPRXCIN-AAEUAGOBSA-N 2 0 226.364 1.757 20 0 BDADRP COC[C@H](C)[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246553458 987957753 /nfs/dbraw/zinc/95/77/53/987957753.db2.gz SJPZZPIPAWNCTD-QWRGUYRKSA-N 2 0 200.326 1.225 20 0 BDADRP C[C@]1([NH3+])CCC[N@@H+]([C@H]2CCCOC2)CC1 ZINC001246553849 987959141 /nfs/dbraw/zinc/95/91/41/987959141.db2.gz SRPOZHDXVBAJTG-RYUDHWBXSA-N 2 0 212.337 1.369 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH3+])N([C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246554187 987963181 /nfs/dbraw/zinc/96/31/81/987963181.db2.gz CZHORIZLVRHWMZ-PEBLQZBPSA-N 2 0 237.391 1.329 20 0 BDADRP C[C@@]1([NH3+])CCC[N@@H+]([C@H]2CCC3(C[NH2+]C3)C2)CC1 ZINC001246556003 987965344 /nfs/dbraw/zinc/96/53/44/987965344.db2.gz YDRMPDZHZMXFQI-QWHCGFSZSA-N 3 0 237.391 1.332 20 0 BDADRP C[C@@]1([NH3+])CCCN(C2C[C@@H]3C=C[C@H](C2)[NH2+]3)CC1 ZINC001246555442 987969401 /nfs/dbraw/zinc/96/94/01/987969401.db2.gz XPTZBXVIQNEZDU-QNMSZWNNSA-N 2 0 235.375 1.249 20 0 BDADRP C[C@H]1C[C@@H]([N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)CCO1 ZINC001246555354 987970159 /nfs/dbraw/zinc/97/01/59/987970159.db2.gz DUEHSHMGSRWCKP-RFGFWPKPSA-N 2 0 240.391 1.861 20 0 BDADRP CCCC[C@@H](C)[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246557921 987972980 /nfs/dbraw/zinc/97/29/80/987972980.db2.gz JHGVFRPSZNQFEP-OLZOCXBDSA-N 2 0 228.380 1.741 20 0 BDADRP CCN1CC[C@@H]([N@@H+]2CCC[C@](F)(C[NH3+])CC2)C1 ZINC001246560267 987983254 /nfs/dbraw/zinc/98/32/54/987983254.db2.gz QFCNVQKIQCYVOG-CHWSQXEVSA-N 2 0 243.370 1.234 20 0 BDADRP CCN1CC[C@H]([N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)C1 ZINC001246560098 987987797 /nfs/dbraw/zinc/98/77/97/987987797.db2.gz PONYWERFHWPMQD-IHRRRGAJSA-N 2 0 239.407 1.387 20 0 BDADRP CC(C)CC[C@H](C)[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246561608 987989572 /nfs/dbraw/zinc/98/95/72/987989572.db2.gz QZVIKTIPKWQYLF-UONOGXRCSA-N 2 0 242.407 1.987 20 0 BDADRP C[C@H]1C[C@H](N2CCC(F)(F)[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC001246562198 988003046 /nfs/dbraw/zinc/00/30/46/988003046.db2.gz YJFIFTNROVUDTA-GARJFASQSA-N 2 0 247.333 1.043 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]CC[C@@H](C)[NH2+]C)C12CCC2 ZINC001118121216 988020238 /nfs/dbraw/zinc/02/02/38/988020238.db2.gz CBNSEXAHTMQRII-JHJVBQTASA-N 2 0 240.391 1.922 20 0 BDADRP C[NH2+][C@@H](C)CC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC001118121856 988021302 /nfs/dbraw/zinc/02/13/02/988021302.db2.gz KATXZRQBSKYZEP-NWDGAFQWSA-N 3 0 227.396 1.304 20 0 BDADRP CC[C@@H]1C[C@H](N2C[C@@H](C)[C@H]([NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246566101 988025126 /nfs/dbraw/zinc/02/51/26/988025126.db2.gz FJCUGNWCTZHELD-PEBLQZBPSA-N 2 0 239.407 1.575 20 0 BDADRP C[C@@H]1CN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H]1[NH3+] ZINC001246566079 988032305 /nfs/dbraw/zinc/03/23/05/988032305.db2.gz DYCGIRRTSHLBBX-PEBLQZBPSA-N 2 0 237.391 1.281 20 0 BDADRP COC[C@H](C)[N@@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001246568508 988040095 /nfs/dbraw/zinc/04/00/95/988040095.db2.gz OPSAFIYFDKDCOS-SDDRHHMPSA-N 2 0 214.353 1.328 20 0 BDADRP C[C@@H]1C[N@@H+]([C@H]2CCC[NH2+]CC2)CCC[C@H]1C[NH3+] ZINC001246571858 988062413 /nfs/dbraw/zinc/06/24/13/988062413.db2.gz XJUCSLJADULJPP-RDBSUJKOSA-N 3 0 239.407 1.435 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2C[C@@H]([NH3+])C[C@H](F)C2)CC[NH2+]1 ZINC001246574737 988069141 /nfs/dbraw/zinc/06/91/41/988069141.db2.gz KJNYYUJOGUQFCF-RVMXOQNASA-N 2 0 243.370 1.134 20 0 BDADRP CCCCC(CCCC)[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246574638 988074142 /nfs/dbraw/zinc/07/41/42/988074142.db2.gz APUWKOWNOCRUBI-GXTWGEPZSA-N 2 0 242.407 1.987 20 0 BDADRP CC[C@@H]1C[C@H](N2CCC[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC001246575966 988085328 /nfs/dbraw/zinc/08/53/28/988085328.db2.gz YDOHPQUHIBBIFZ-YNEHKIRRSA-N 2 0 225.380 1.201 20 0 BDADRP COC[C@@H](C)[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246577182 988091949 /nfs/dbraw/zinc/09/19/49/988091949.db2.gz NHSJEAAPDZASPZ-NEPJUHHUSA-N 2 0 214.353 1.472 20 0 BDADRP C[C@H]1C[C@H](N2CCCC[C@](C)(C[NH3+])C2)CC[NH2+]1 ZINC001246578783 988101411 /nfs/dbraw/zinc/10/14/11/988101411.db2.gz CDRDBMXQOIDGNI-BFHYXJOUSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@@H]1CC[C@@H](N2CCC(CC[NH3+])CC2)C[NH2+]1 ZINC001246581575 988113653 /nfs/dbraw/zinc/11/36/53/988113653.db2.gz RTIZGAVJSPUBTP-DGCLKSJQSA-N 2 0 225.380 1.188 20 0 BDADRP CC(C)C[C@@H](C)C[C@H](C)[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246583031 988120227 /nfs/dbraw/zinc/12/02/27/988120227.db2.gz IJRSNOVVRGQGIN-ZOBORPQBSA-N 2 0 242.407 1.699 20 0 BDADRP C[NH2+]C1CCC([N@H+]2[C@H](C)CNC[C@@H]2C)CC1 ZINC001246585322 988136319 /nfs/dbraw/zinc/13/63/19/988136319.db2.gz GRJYTLRKNHRAAD-MPEURRAXSA-N 2 0 225.380 1.199 20 0 BDADRP CC(C)(C)[C@H]1C[C@@H](N2CC(C)(C[NH3+])C2)CC[NH2+]1 ZINC001246588082 988145198 /nfs/dbraw/zinc/14/51/98/988145198.db2.gz IYFJLRDKCAENFE-NWDGAFQWSA-N 2 0 239.407 1.434 20 0 BDADRP [NH3+][C@@H]1C[C@H](F)CN([C@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC001246589344 988156089 /nfs/dbraw/zinc/15/60/89/988156089.db2.gz ZPOAGNJLBSZGFM-TUAOUCFPSA-N 2 0 241.354 1.032 20 0 BDADRP CCCCCC[C@H](C)[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246589194 988157553 /nfs/dbraw/zinc/15/75/53/988157553.db2.gz ZJIWXNJURGZAOU-RWMBFGLXSA-N 2 0 228.380 1.597 20 0 BDADRP CCCCC[C@H](C)[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246588771 988159060 /nfs/dbraw/zinc/15/90/60/988159060.db2.gz XQTIKJSSXCLNDE-SDDRHHMPSA-N 2 0 214.353 1.207 20 0 BDADRP C[C@@H]1C[C@H]([N@@H+]2CC[C@](C)(O)[C@@H](C)C2)CC[NH2+]1 ZINC001246590332 988164722 /nfs/dbraw/zinc/16/47/22/988164722.db2.gz SKCKKNFFUBYMSJ-LOWDOPEQSA-N 2 0 226.364 1.220 20 0 BDADRP CC(C)N([C@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]CC1 ZINC001246590749 988164948 /nfs/dbraw/zinc/16/49/48/988164948.db2.gz HZWWUXTXMFWLPI-KBPBESRZSA-N 2 0 239.407 1.591 20 0 BDADRP CO[C@H]1CCC[C@@H]([NH+]2CC(C)(C[NH3+])C2)C1 ZINC001246591770 988175266 /nfs/dbraw/zinc/17/52/66/988175266.db2.gz XPAJQOMSYLLTAD-MNOVXSKESA-N 2 0 212.337 1.225 20 0 BDADRP CC[C@@H]1C[C@@H](N2CC[NH2+][C@H](C)CC2)CC[NH2+]1 ZINC001246596230 988184087 /nfs/dbraw/zinc/18/40/87/988184087.db2.gz PIXPUUBTYDQIDE-UPJWGTAASA-N 2 0 225.380 1.201 20 0 BDADRP CCC[C@@H](CC)[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246599773 988203597 /nfs/dbraw/zinc/20/35/97/988203597.db2.gz DSDVGACPEAOJIK-CYBMUJFWSA-N 2 0 239.407 1.593 20 0 BDADRP C1C[C@]2(CN1[C@@H]1CCCC[NH2+]C1)CCC[NH2+]C2 ZINC001246601880 988210090 /nfs/dbraw/zinc/21/00/90/988210090.db2.gz HPJUEYVZHFCJGE-ZIAGYGMSSA-N 2 0 237.391 1.204 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2CC(C)(C[NH3+])C2)CC[NH2+]1 ZINC001246603562 988213280 /nfs/dbraw/zinc/21/32/80/988213280.db2.gz ZZHHUJOAYNZZJI-NEPJUHHUSA-N 2 0 225.380 1.044 20 0 BDADRP C1C[N@H+]([C@H]2CCCOCC2)[C@@]2(C1)CCC[NH2+]C2 ZINC001246606323 988225960 /nfs/dbraw/zinc/22/59/60/988225960.db2.gz DSKHWVQDVGCRCY-UONOGXRCSA-N 2 0 238.375 1.774 20 0 BDADRP C1CN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@]2(C1)CCC[NH2+]C2 ZINC001246612866 988235841 /nfs/dbraw/zinc/23/58/41/988235841.db2.gz XQPPPEOTPIVFTQ-IZGVIRRGSA-N 2 0 249.402 1.487 20 0 BDADRP C1C[C@]2(CCCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)[NH2+]1 ZINC001246610664 988237937 /nfs/dbraw/zinc/23/79/37/988237937.db2.gz NJPWDTUMIXUFCP-PIGZVRMJSA-N 2 0 235.375 1.097 20 0 BDADRP C1CC2(C[NH2+]C2)N1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246611368 988240354 /nfs/dbraw/zinc/24/03/54/988240354.db2.gz PEJIYZQNWWSYNI-UHFFFAOYSA-N 2 0 249.402 1.347 20 0 BDADRP C1C[NH2+]C[C@H](N2CCC[C@]3(CCC[NH2+]C3)C2)C1 ZINC001246610245 988245317 /nfs/dbraw/zinc/24/53/17/988245317.db2.gz OURNUZWUEOTSDA-KGLIPLIRSA-N 2 0 237.391 1.204 20 0 BDADRP CCC(CC)[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246618455 988252116 /nfs/dbraw/zinc/25/21/16/988252116.db2.gz LEKBYORABAASMB-STQMWFEESA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H]1CC[C@H](N2CCC[C@]3(CCC[NH2+]3)C2)C[NH2+]1 ZINC001246616268 988257469 /nfs/dbraw/zinc/25/74/69/988257469.db2.gz GXAZXVBXSGRGFZ-HZSPNIEDSA-N 2 0 237.391 1.345 20 0 BDADRP CC(C)[NH2+]C[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001495816827 988257967 /nfs/dbraw/zinc/25/79/67/988257967.db2.gz WFELWZWWZAHHBF-LBPRGKRZSA-N 2 0 243.395 1.077 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CC[C@]3(C2)CCCCO3)CC[NH2+]1 ZINC001246616253 988260733 /nfs/dbraw/zinc/26/07/33/988260733.db2.gz AKEKWACCMHHPTQ-RDBSUJKOSA-N 2 0 238.375 1.772 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH+]2CCC(F)(C[NH3+])CC2)CC1 ZINC001246624905 988277810 /nfs/dbraw/zinc/27/78/10/988277810.db2.gz GPOXMRSGEIVUFB-GFCCVEGCSA-N 3 0 243.370 1.234 20 0 BDADRP CCCC(CCC)[N@@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246623969 988281652 /nfs/dbraw/zinc/28/16/52/988281652.db2.gz NBGFFRFDCKOIGD-TZMCWYRMSA-N 2 0 240.391 1.875 20 0 BDADRP CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001496213633 988289726 /nfs/dbraw/zinc/28/97/26/988289726.db2.gz QEDCCDOEHMEIQE-VXGBXAGGSA-N 2 0 243.395 1.173 20 0 BDADRP C1C[NH2+][C@]2(C1)CCCN(C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246626551 988290152 /nfs/dbraw/zinc/29/01/52/988290152.db2.gz XMHXOELFQFPTPN-IZGVIRRGSA-N 2 0 249.402 1.487 20 0 BDADRP [NH3+]CC1(F)CC[NH+]([C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001246629132 988306732 /nfs/dbraw/zinc/30/67/32/988306732.db2.gz PLQMESVFNHZBIY-URLYPYJESA-N 2 0 212.312 1.548 20 0 BDADRP CC[C@@H]1C[C@@H]([N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CCO1 ZINC001246629711 988310943 /nfs/dbraw/zinc/31/09/43/988310943.db2.gz FZABYFZXUGTVPB-QNWHQSFQSA-N 2 0 224.348 1.380 20 0 BDADRP OCC[C@@H]1CC12CCN([C@@H]1CCC[NH2+]C1)CC2 ZINC001246632145 988315364 /nfs/dbraw/zinc/31/53/64/988315364.db2.gz ZJXYWUJELIKJSQ-CHWSQXEVSA-N 2 0 238.375 1.223 20 0 BDADRP CC1(C)[C@@H]2C[C@H]([N@@H+]3CC[C@@H]4[NH2+]CC[C@H]43)C[C@@H]21 ZINC001246633220 988319589 /nfs/dbraw/zinc/31/95/89/988319589.db2.gz KTVRAWSLSRYGJP-FPYNETTCSA-N 2 0 220.360 1.857 20 0 BDADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[C@H]3[NH2+]CC[C@H]31)C2 ZINC001246636974 988329330 /nfs/dbraw/zinc/32/93/30/988329330.db2.gz HXPVRXZXRIXPGR-XLWJZTARSA-N 3 0 249.402 1.438 20 0 BDADRP C[C@@H]1C[C@@H]([NH+]2CC3(C2)CCCOC3)CC[NH2+]1 ZINC001246637620 988330544 /nfs/dbraw/zinc/33/05/44/988330544.db2.gz HDGSCVUZSXTSRY-NEPJUHHUSA-N 2 0 224.348 1.239 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246639158 988343582 /nfs/dbraw/zinc/34/35/82/988343582.db2.gz OMOCPIJYFNHPQB-MGPQQGTHSA-N 2 0 239.407 1.543 20 0 BDADRP C[C@@H]1C[C@@H]([N@@H+]2CCCC23CC[NH2+]CC3)CC[NH2+]1 ZINC001246641950 988345463 /nfs/dbraw/zinc/34/54/63/988345463.db2.gz ALKNEEBHRNCOHC-OLZOCXBDSA-N 3 0 237.391 1.345 20 0 BDADRP C[NH2+]CC[C@H](C)N1CCCC[C@@]12CC[NH2+]C2 ZINC001246642355 988350757 /nfs/dbraw/zinc/35/07/57/988350757.db2.gz IRNKOUVIPWCPBX-STQMWFEESA-N 2 0 225.380 1.202 20 0 BDADRP CCCC[C@H](C)[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246645076 988355022 /nfs/dbraw/zinc/35/50/22/988355022.db2.gz SUDBVWPDLYQOBX-QWHCGFSZSA-N 2 0 225.380 1.202 20 0 BDADRP C[C@@H]1C[C@@H](N2CCCC[C@]23CCC[NH2+]C3)C[NH2+]1 ZINC001246649807 988372225 /nfs/dbraw/zinc/37/22/25/988372225.db2.gz FGRJKYZWODAPBZ-MGPQQGTHSA-N 2 0 237.391 1.345 20 0 BDADRP C[C@@H]1C[C@@H](N2C[C@H]3CCC[NH2+][C@H]3C2)C[C@H](C)[NH2+]1 ZINC001246659396 988393575 /nfs/dbraw/zinc/39/35/75/988393575.db2.gz SACBNFKDHSBAKA-ITGHMWBKSA-N 2 0 237.391 1.199 20 0 BDADRP C[C@H]1C[C@@H]([N@@H+]2CC[C@H]3CCCO[C@@H]3C2)CC[NH2+]1 ZINC001246661749 988396300 /nfs/dbraw/zinc/39/63/00/988396300.db2.gz HWWDQJPFDIZDQZ-RFQIPJPRSA-N 2 0 238.375 1.628 20 0 BDADRP C1N([C@@H]2CCC3(C2)CC[NH2+]CC3)CC12CCC[NH2+]2 ZINC001246669557 988408201 /nfs/dbraw/zinc/40/82/01/988408201.db2.gz SJFVFKCMSWQAEO-CYBMUJFWSA-N 2 0 249.402 1.347 20 0 BDADRP CC(C)[C@@H]1CN(C2C[C@H](C)[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC001246686397 988430384 /nfs/dbraw/zinc/43/03/84/988430384.db2.gz MJCQABZFHOXMBC-OBJOEFQTSA-N 2 0 239.407 1.445 20 0 BDADRP CC(C)[C@@H]1C[NH2+]CCN1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246689926 988434776 /nfs/dbraw/zinc/43/47/76/988434776.db2.gz BLCCAEMVWXQYHD-PIGZVRMJSA-N 2 0 237.391 1.199 20 0 BDADRP C[C@@H]1C[NH2+][C@@H](C)CN1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246689506 988435633 /nfs/dbraw/zinc/43/56/33/988435633.db2.gz KBVLQDBTKOGHNF-VJTDZRGJSA-N 2 0 237.391 1.342 20 0 BDADRP CC[C@@H]1C[C@H](N2C[C@H](C)[NH2+]C[C@H]2C)CC[NH2+]1 ZINC001246690961 988436420 /nfs/dbraw/zinc/43/64/20/988436420.db2.gz ONAMAWVCFWITQD-UMSGYPCISA-N 2 0 225.380 1.199 20 0 BDADRP CC(C)[C@@H]1C[NH2+]CCN1[C@@H]1CCCC[NH2+]C1 ZINC001246695921 988442193 /nfs/dbraw/zinc/44/21/93/988442193.db2.gz NJTOSNOVJIFLTE-OLZOCXBDSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H]1C[NH2+][C@@H](C)CN1[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246694363 988442891 /nfs/dbraw/zinc/44/28/91/988442891.db2.gz VYPNENKGQUOMLV-YNEHKIRRSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@@H]1C[C@H](N(C)CCC[NH+]2CCCC2)CC[NH2+]1 ZINC001246784504 988462114 /nfs/dbraw/zinc/46/21/14/988462114.db2.gz XWOGEBANMMSRLE-ZIAGYGMSSA-N 2 0 239.407 1.545 20 0 BDADRP C[NH2+]CC1CC[NH+]([C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246783132 988463227 /nfs/dbraw/zinc/46/32/27/988463227.db2.gz WLPBFYVQPUMGPI-AAEUAGOBSA-N 3 0 225.380 1.058 20 0 BDADRP CC(C)[N@H+](CC1CC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246790270 988468684 /nfs/dbraw/zinc/46/86/84/988468684.db2.gz MUAFMARPFIYRBS-ZDUSSCGKSA-N 2 0 237.391 1.201 20 0 BDADRP CCN(CC[NH+](CC)CC)[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246792798 988470733 /nfs/dbraw/zinc/47/07/33/988470733.db2.gz WYXFARDKTUCOQE-KBPBESRZSA-N 2 0 241.423 1.791 20 0 BDADRP CCN(CC[NH+]1CCCC1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246795451 988476214 /nfs/dbraw/zinc/47/62/14/988476214.db2.gz JHAHWQJSMZRDBF-KGLIPLIRSA-N 2 0 239.407 1.545 20 0 BDADRP CCN(CC[NH+]1CCCC1)[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246797660 988478524 /nfs/dbraw/zinc/47/85/24/988478524.db2.gz PQSOLJRVEUEIRS-KBPBESRZSA-N 2 0 239.407 1.545 20 0 BDADRP CC[C@@H]1C[C@@H](N2CC[C@@H]([NH2+]C)C2)C[C@H](CC)[NH2+]1 ZINC001246815900 988504769 /nfs/dbraw/zinc/50/47/69/988504769.db2.gz YZGQDXQYGADNQN-XJFOESAGSA-N 2 0 239.407 1.589 20 0 BDADRP CC[C@@H]1CC(N2CC[C@@H]([NH2+]C)C2)C[C@@H](CC)[NH2+]1 ZINC001246815897 988505872 /nfs/dbraw/zinc/50/58/72/988505872.db2.gz YZGQDXQYGADNQN-JHJVBQTASA-N 2 0 239.407 1.589 20 0 BDADRP CCCC[C@@H]1C[C@H](N2C[C@@H]([NH3+])[C@@H](F)C2)CC[NH2+]1 ZINC001246820375 988508537 /nfs/dbraw/zinc/50/85/37/988508537.db2.gz NZQQLHGNIDZUOT-FVCCEPFGSA-N 2 0 243.370 1.278 20 0 BDADRP C1[NH2+]CC12C[C@H]([N@@H+]1CCC[C@H]3CCC[C@@H]31)CCN2 ZINC001246822291 988508628 /nfs/dbraw/zinc/50/86/28/988508628.db2.gz YCTVJRIZIZXZEV-MCIONIFRSA-N 2 0 249.402 1.345 20 0 BDADRP CCC[C@H](C)CC[C@H](C)N(CC[NH3+])CC[NH3+] ZINC001246828306 988514514 /nfs/dbraw/zinc/51/45/14/988514514.db2.gz BAVXNUUCCFORFB-STQMWFEESA-N 2 0 229.412 1.811 20 0 BDADRP C[C@@H]1CC(N2C[C@@H](C)[NH2+][C@@H](C)C2)C[C@@H](C)[NH2+]1 ZINC001246825151 988515423 /nfs/dbraw/zinc/51/54/23/988515423.db2.gz QWIGGUPVRBECKC-KKOKHZNYSA-N 2 0 225.380 1.198 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246825989 988516052 /nfs/dbraw/zinc/51/60/52/988516052.db2.gz XWLRMCYGPNRTRW-HZSPNIEDSA-N 2 0 241.423 1.789 20 0 BDADRP C[C@@H]1CN([C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[C@H](C)[NH2+]1 ZINC001246824262 988517567 /nfs/dbraw/zinc/51/75/67/988517567.db2.gz KEWKSLCYQLQHMU-KCLGILNXSA-N 2 0 237.391 1.342 20 0 BDADRP CC(C)[C@@H]1C[C@H](N2CC[C@@H](F)[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246832227 988526092 /nfs/dbraw/zinc/52/60/92/988526092.db2.gz AYFGMXLJZCGCGT-LPWJVIDDSA-N 2 0 243.370 1.134 20 0 BDADRP [NH3+]CCN(CC[NH3+])[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001246836012 988532471 /nfs/dbraw/zinc/53/24/71/988532471.db2.gz YEDZVLFKJCZEPO-HUUCEWRRSA-N 2 0 247.386 1.542 20 0 BDADRP CC[C@H]1CCC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246849106 988562972 /nfs/dbraw/zinc/56/29/72/988562972.db2.gz PZYRVLCPVYRDPC-STQMWFEESA-N 2 0 237.391 1.202 20 0 BDADRP C[C@H]1C[C@H]([NH+]2CCC(n3ccnc3)CC2)CC[NH2+]1 ZINC001246847504 988567157 /nfs/dbraw/zinc/56/71/57/988567157.db2.gz SOLFSBKGYUZOPK-GXTWGEPZSA-N 2 0 248.374 1.661 20 0 BDADRP CCN([C@H]1CC[NH2+]C1)[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246853070 988570295 /nfs/dbraw/zinc/57/02/95/988570295.db2.gz SHTZMSJGOINFKC-RNJOBUHISA-N 2 0 225.380 1.199 20 0 BDADRP CCN([C@@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]CC1 ZINC001246851875 988574789 /nfs/dbraw/zinc/57/47/89/988574789.db2.gz ATJROJOLGKSPRA-QWHCGFSZSA-N 2 0 225.380 1.202 20 0 BDADRP CCCC[C@@H](CC)[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246860095 988587833 /nfs/dbraw/zinc/58/78/33/988587833.db2.gz NMSLQCZDYQYTJK-RBKKPWLPSA-N 2 0 240.391 1.861 20 0 BDADRP [NH3+][C@]12CC[C@@H]1CN(C1CC[NH+](C3CC3)CC1)C2 ZINC001246859879 988594208 /nfs/dbraw/zinc/59/42/08/988594208.db2.gz KYMIUEYJZAAFIM-RISCZKNCSA-N 2 0 235.375 1.036 20 0 BDADRP CCCC[C@H](C)[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246862604 988600428 /nfs/dbraw/zinc/60/04/28/988600428.db2.gz UTMUHLJBZLCCLB-ACJTYDJDSA-N 2 0 226.364 1.471 20 0 BDADRP [NH3+][C@]12CC[C@H]1C[N@@H+](C1CCC3(CC[NH2+]C3)CC1)C2 ZINC001246865045 988608974 /nfs/dbraw/zinc/60/89/74/988608974.db2.gz XPWNYDBFWNKCTD-PPWQZUPISA-N 3 0 249.402 1.332 20 0 BDADRP C[C@@H]1C[C@@H](N2C[C@H]3CC[C@@H](C2)[NH2+]C3)C[C@H](C)[NH2+]1 ZINC001246868149 988626211 /nfs/dbraw/zinc/62/62/11/988626211.db2.gz QYQOQWNCLHMTCS-NDKCEZKHSA-N 2 0 237.391 1.199 20 0 BDADRP COC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CC[NH2+][C@H](C)C1 ZINC001246875724 988643394 /nfs/dbraw/zinc/64/33/94/988643394.db2.gz LIWMOJBHNZBWTM-JABUTEAWSA-N 2 0 238.375 1.769 20 0 BDADRP Fc1ccc([C@H]2C[NH2+]CCN2[C@H]2CC[NH2+]C2)cc1 ZINC001246886446 988653092 /nfs/dbraw/zinc/65/30/92/988653092.db2.gz LCFFFLICZBKVDZ-UONOGXRCSA-N 2 0 249.333 1.134 20 0 BDADRP CCN(CC[NH3+])[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246889111 988656605 /nfs/dbraw/zinc/65/66/05/988656605.db2.gz CLNIRAUXQYVHOC-ZDUSSCGKSA-N 2 0 239.407 1.722 20 0 BDADRP CC[C@@H]1C[C@@H]([N@H+](C)CCCC[NH3+])C[C@H](CC)[NH2+]1 ZINC001246890576 988659113 /nfs/dbraw/zinc/65/91/13/988659113.db2.gz IKVDNDKSPMDCAS-BTTYYORXSA-N 3 0 241.423 1.966 20 0 BDADRP CCN(CC[NH2+]C)[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246890715 988659622 /nfs/dbraw/zinc/65/96/22/988659622.db2.gz KVNGMMMKTXVKMY-KGLIPLIRSA-N 2 0 239.407 1.450 20 0 BDADRP CCC1([NH3+])CN([C@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC001246902128 988674128 /nfs/dbraw/zinc/67/41/28/988674128.db2.gz PVOCLQWQJAAGBR-NSHDSACASA-N 2 0 223.364 1.084 20 0 BDADRP CCCC[C@@H]1CN([C@H]2C[NH2+][C@H](C)C2)CC[NH2+]1 ZINC001246912082 988694250 /nfs/dbraw/zinc/69/42/50/988694250.db2.gz BYDXZZFHYABUFO-JHJVBQTASA-N 2 0 225.380 1.201 20 0 BDADRP CC[NH+](CC)CC[C@@H](C)N1CCC[C@@H]1C[NH3+] ZINC001246913044 988696160 /nfs/dbraw/zinc/69/61/60/988696160.db2.gz JMNSOPVFSWXDJP-CHWSQXEVSA-N 2 0 227.396 1.530 20 0 BDADRP CC(C)(C)[C@@H]1C[C@H](N2CCC[C@@H]2C[NH3+])CC[NH2+]1 ZINC001246918179 988714701 /nfs/dbraw/zinc/71/47/01/988714701.db2.gz XCCJINDBJRFAEZ-UPJWGTAASA-N 2 0 239.407 1.576 20 0 BDADRP CC[C@@H]1C[C@H](N2CCC[C@@H]2C[NH3+])C[C@H](CC)[NH2+]1 ZINC001246918079 988716644 /nfs/dbraw/zinc/71/66/44/988716644.db2.gz UQWKXTPKFKFRTO-RQJABVFESA-N 2 0 239.407 1.719 20 0 BDADRP CC(C)(C)[NH+]1CCC(N2C[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246918507 988721894 /nfs/dbraw/zinc/72/18/94/988721894.db2.gz KPXFEJBGFLMDFT-AAEUAGOBSA-N 2 0 237.391 1.153 20 0 BDADRP CC[C@@H]1C[C@@H](N2C[C@@H]3C[NH2+]C[C@H]32)C[C@H](CC)[NH2+]1 ZINC001246921960 988735069 /nfs/dbraw/zinc/73/50/69/988735069.db2.gz TWRBDKIIVXEAEG-PDWCTOEPSA-N 2 0 237.391 1.199 20 0 BDADRP CC[C@@H]1C[C@H](N2CCC[C@H]([NH3+])[C@@H]2C)CC[NH2+]1 ZINC001246935867 988766136 /nfs/dbraw/zinc/76/61/36/988766136.db2.gz CFDGOGFAFDFVSG-LOWDOPEQSA-N 2 0 225.380 1.329 20 0 BDADRP CC[C@@H]1C[C@H](N2CCC[C@@H]2C[NH2+]C)CC[NH2+]1 ZINC001246936506 988766880 /nfs/dbraw/zinc/76/68/80/988766880.db2.gz DBJKTQOGMONRMW-JHJVBQTASA-N 2 0 225.380 1.201 20 0 BDADRP C[NH2+]C[C@H]1CCCN1[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246939944 988767319 /nfs/dbraw/zinc/76/73/19/988767319.db2.gz UHTYXPSESKBMDP-VXGBXAGGSA-N 2 0 225.380 1.201 20 0 BDADRP CCN(C[C@@H]1CC[NH2+]C1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246935263 988768229 /nfs/dbraw/zinc/76/82/29/988768229.db2.gz GDPKEBFUABYOBT-JHJVBQTASA-N 2 0 225.380 1.058 20 0 BDADRP CCC[N@H+]1C[C@H]2CN(C3CC[NH2+]CC3)C[C@H]2C1 ZINC001246940080 988774641 /nfs/dbraw/zinc/77/46/41/988774641.db2.gz IDDCERKFGRMGPV-BETUJISGSA-N 2 0 237.391 1.012 20 0 BDADRP CCCN([C@H]1CC[NH2+]C1)C1CCC([NH2+]C)CC1 ZINC001246944971 988782172 /nfs/dbraw/zinc/78/21/72/988782172.db2.gz YVBYDVYMVBVPME-RUXDESIVSA-N 2 0 239.407 1.591 20 0 BDADRP CC[N@H+](C)C1CCN([C@@H]2CCC[NH2+]C2)CC1 ZINC001246949951 988787015 /nfs/dbraw/zinc/78/70/15/988787015.db2.gz MQDODJBPZSDSKZ-CYBMUJFWSA-N 2 0 225.380 1.155 20 0 BDADRP CC(C)N([C@H]1C[NH2+][C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC001246954169 988789040 /nfs/dbraw/zinc/78/90/40/988789040.db2.gz IZCGXCSHKGMGFG-YNEHKIRRSA-N 2 0 225.380 1.199 20 0 BDADRP CC(C)N([C@H]1CC[NH2+]C1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246959475 988794373 /nfs/dbraw/zinc/79/43/73/988794373.db2.gz IUHFRJMJIVMMIZ-AGIUHOORSA-N 2 0 225.380 1.199 20 0 BDADRP CC[C@H]([NH3+])CN(C)[C@@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246972221 988799827 /nfs/dbraw/zinc/79/98/27/988799827.db2.gz BIPSOJZJCDQUMS-YNEHKIRRSA-N 2 0 227.396 1.432 20 0 BDADRP CC[C@H]([NH3+])CN(C)[C@H](C)CC[NH+](CC)CC ZINC001246972724 988799913 /nfs/dbraw/zinc/79/99/13/988799913.db2.gz FRXMQHYSPFMVLU-OLZOCXBDSA-N 2 0 229.412 1.776 20 0 BDADRP CC[C@H]([NH3+])CN(C)C1CC[NH+](CC(C)C)CC1 ZINC001246972261 988800634 /nfs/dbraw/zinc/80/06/34/988800634.db2.gz CEKBGRHLFOBAPN-ZDUSSCGKSA-N 2 0 241.423 1.776 20 0 BDADRP CC[C@H]1C[C@@H](N2CC[NH2+][C@H](C)CC2)CC[NH2+]1 ZINC001246992695 988824872 /nfs/dbraw/zinc/82/48/72/988824872.db2.gz PIXPUUBTYDQIDE-AGIUHOORSA-N 2 0 225.380 1.201 20 0 BDADRP CCCC[C@@H]1C[C@@H](N2CC[NH2+]C2)CC[NH2+]1 ZINC001246993517 988826616 /nfs/dbraw/zinc/82/66/16/988826616.db2.gz NVMSQSGGCVTCQM-NEPJUHHUSA-N 2 0 211.353 1.160 20 0 BDADRP CC[N@@H+]1CCN([C@H]2CC[C@@H](C)[NH2+]C2)C(C)(C)C1 ZINC001246996248 988828045 /nfs/dbraw/zinc/82/80/45/988828045.db2.gz WSHLPLDFTKJRBW-OLZOCXBDSA-N 2 0 239.407 1.543 20 0 BDADRP c1ccc([C@@H]2C[C@@H](N3CC[NH2+]C3)CC[NH2+]2)cc1 ZINC001246994385 988829849 /nfs/dbraw/zinc/82/98/49/988829849.db2.gz PRBQBNPQOYJRKC-KBPBESRZSA-N 2 0 231.343 1.342 20 0 BDADRP CC[N@@H+]1CCN([C@H]2CCC[NH2+]C2)C(C)(C)C1 ZINC001246995259 988830243 /nfs/dbraw/zinc/83/02/43/988830243.db2.gz SNSVGWPSNXLGAU-LBPRGKRZSA-N 2 0 225.380 1.155 20 0 BDADRP CC[N@@H+]1CC[C@H](N2CC[C@H]3[NH2+]CCC[C@H]3C2)C1 ZINC001247005141 988837073 /nfs/dbraw/zinc/83/70/73/988837073.db2.gz GERRHROTXWKCAJ-MELADBBJSA-N 2 0 237.391 1.155 20 0 BDADRP C1C[NH2+][C@H]2CCN([C@H]3CCCC[NH2+]C3)C[C@@H]2C1 ZINC001247014565 988841113 /nfs/dbraw/zinc/84/11/13/988841113.db2.gz LAAAQARWNHOGIQ-IHRRRGAJSA-N 2 0 237.391 1.202 20 0 BDADRP C[NH+]1CCC2(CCCN2Cc2c[nH]cn2)CC1 ZINC001119447782 989081839 /nfs/dbraw/zinc/08/18/39/989081839.db2.gz AUNPGKSXEKVAMO-UHFFFAOYSA-N 2 0 234.347 1.470 20 0 BDADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNc1ccnc(N)n1 ZINC001515702799 989104650 /nfs/dbraw/zinc/10/46/50/989104650.db2.gz QTLCBICEMKSTHR-SNVBAGLBSA-N 2 0 249.362 1.591 20 0 BDADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1cc(N)ncn1 ZINC001515752750 989111974 /nfs/dbraw/zinc/11/19/74/989111974.db2.gz CFKURQRNVCKLOJ-GHMZBOCLSA-N 2 0 247.346 1.122 20 0 BDADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC001119630776 989265393 /nfs/dbraw/zinc/26/53/93/989265393.db2.gz JTRDNZPWRMNENS-UKRRQHHQSA-N 3 0 249.402 1.912 20 0 BDADRP Cc1cccnc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001119683602 989331521 /nfs/dbraw/zinc/33/15/21/989331521.db2.gz DEPWSAKTHMGFFO-QWHCGFSZSA-N 2 0 231.343 1.431 20 0 BDADRP CC[N@@H+]1C[C@@H](C)N(C[C@H]2CCC[NH+]2C)C[C@H]1C ZINC001119693211 989342014 /nfs/dbraw/zinc/34/20/14/989342014.db2.gz WBGBXZNRAKJZEC-MGPQQGTHSA-N 2 0 239.407 1.495 20 0 BDADRP [NH3+][C@@H]1CCCC[C@H]1c1nc([C@@H]2CCC[NH2+]2)no1 ZINC001326173268 989404616 /nfs/dbraw/zinc/40/46/16/989404616.db2.gz QPTMOHZGEXTWRA-BBBLOLIVSA-N 2 0 236.319 1.479 20 0 BDADRP C[NH2+][C@H](C)CCNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC001326243442 989445464 /nfs/dbraw/zinc/44/54/64/989445464.db2.gz BDPVVXOWDAOKLI-YPMHNXCESA-N 2 0 249.358 1.191 20 0 BDADRP C[NH2+][C@H](C)CCN[C@H]1CCCC[C@H]1C[NH3+] ZINC001326472613 989567093 /nfs/dbraw/zinc/56/70/93/989567093.db2.gz DJAKZHYSHOUCOD-WOPDTQHZSA-N 2 0 213.369 1.092 20 0 BDADRP [NH3+]CC1(c2ccccc2)CC[NH+](CCF)CC1 ZINC001120264152 989621860 /nfs/dbraw/zinc/62/18/60/989621860.db2.gz DWXIMGWETQKWSA-UHFFFAOYSA-N 2 0 236.334 1.948 20 0 BDADRP C[C@@H](CC[NH+](C)C)NC(=O)c1ccccc1C[NH3+] ZINC001521455515 989711572 /nfs/dbraw/zinc/71/15/72/989711572.db2.gz VOJDWRBQUHCEHZ-NSHDSACASA-N 2 0 249.358 1.215 20 0 BDADRP CC[NH+](CC)CCCC[NH2+]C[C@@H](O)C1CC1 ZINC001120573222 989742191 /nfs/dbraw/zinc/74/21/91/989742191.db2.gz BETGAEUYDMHBKW-CYBMUJFWSA-N 2 0 228.380 1.469 20 0 BDADRP C[C@@H]([NH3+])CC(=O)N1C[C@@H](CC[NH3+])c2ccccc21 ZINC001522325000 989845416 /nfs/dbraw/zinc/84/54/16/989845416.db2.gz ARSLWUWQZOLNQH-GHMZBOCLSA-N 2 0 247.342 1.203 20 0 BDADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccccc1C[NH3+] ZINC001523617916 989941967 /nfs/dbraw/zinc/94/19/67/989941967.db2.gz YFXLOECYIKFNQH-VXGBXAGGSA-N 2 0 247.342 1.472 20 0 BDADRP C[C@@H]1CCC[N@H+](CCNc2ccnc(N)n2)C1 ZINC001120883641 989945874 /nfs/dbraw/zinc/94/58/74/989945874.db2.gz KHCHEEZFNQSWHH-SNVBAGLBSA-N 2 0 235.335 1.203 20 0 BDADRP CC(C)(C)[C@@H]([NH3+])CC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC001122014204 990181105 /nfs/dbraw/zinc/18/11/05/990181105.db2.gz AGLSTGAFASHVSZ-MNOVXSKESA-N 2 0 241.379 1.008 20 0 BDADRP C[NH2+]CCC(=O)N1C[C@@H](CC[NH3+])c2ccccc21 ZINC001122111059 990244666 /nfs/dbraw/zinc/24/46/66/990244666.db2.gz YRMUSZDAQSITPT-LLVKDONJSA-N 2 0 247.342 1.075 20 0 BDADRP [NH3+]C1(CC(=O)Nc2cccc3c2C[NH2+]C3)CCC1 ZINC001122136886 990255324 /nfs/dbraw/zinc/25/53/24/990255324.db2.gz GDEYWVZGXYGZAZ-UHFFFAOYSA-N 2 0 245.326 1.500 20 0 BDADRP CC(C)C[C@@H]([NH3+])C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001122392592 990369570 /nfs/dbraw/zinc/36/95/70/990369570.db2.gz WNIZHNFITKBVGO-NWDGAFQWSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@@H](CC[NH+](C)C)C(=O)NCC[C@H](C)[NH+](C)C ZINC001557441276 990891282 /nfs/dbraw/zinc/89/12/82/990891282.db2.gz JUXLYRTTXVRNPE-RYUDHWBXSA-N 2 0 243.395 1.031 20 0 BDADRP CCn1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)n1 ZINC001308450761 990997315 /nfs/dbraw/zinc/99/73/15/990997315.db2.gz QHJSMJZWSRCIIN-BJHJDKERSA-N 2 0 236.363 1.333 20 0 BDADRP C[C@@H]1CC([NH2+]CCOCC[NH3+])C[C@@H](C)C1 ZINC001258150525 991032152 /nfs/dbraw/zinc/03/21/52/991032152.db2.gz BUGLKAWEKRMAPG-QWRGUYRKSA-N 2 0 214.353 1.376 20 0 BDADRP C[C@H]1CC([NH2+]CCOCC[NH3+])C[C@H](C)C1 ZINC001258150524 991034335 /nfs/dbraw/zinc/03/43/35/991034335.db2.gz BUGLKAWEKRMAPG-GHMZBOCLSA-N 2 0 214.353 1.376 20 0 BDADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2CCn3ccnc32)C1 ZINC001308810476 991152907 /nfs/dbraw/zinc/15/29/07/991152907.db2.gz GWPCAHVXKSUSPZ-STQMWFEESA-N 2 0 248.374 1.649 20 0 BDADRP Cc1cccnc1C[NH2+]C[C@@H]1C[NH+]2CCC1CC2 ZINC001308965306 991241340 /nfs/dbraw/zinc/24/13/40/991241340.db2.gz DSFXFFHVEDZJBB-CQSZACIVSA-N 2 0 245.370 1.821 20 0 BDADRP CCC1(C[NH+]2CCC3(C[NH+](C)C3)CC2)COC1 ZINC001202964727 991352489 /nfs/dbraw/zinc/35/24/89/991352489.db2.gz PUGFONHEWOYDQZ-UHFFFAOYSA-N 2 0 238.375 1.441 20 0 BDADRP CCCCC[C@@H](CC)[NH2+]C[C@@H](O)C[NH3+] ZINC001258430281 991359076 /nfs/dbraw/zinc/35/90/76/991359076.db2.gz LKKRKSJUMQVJJR-MNOVXSKESA-N 2 0 202.342 1.255 20 0 BDADRP CCCCC[C@H](CC)[NH+]1CCN(CC[NH3+])CC1 ZINC001258429469 991360751 /nfs/dbraw/zinc/36/07/51/991360751.db2.gz XQFVWUZGLLKMPT-AWEZNQCLSA-N 2 0 241.423 1.922 20 0 BDADRP CCCCC[C@H](CC)[NH2+]CCN(C)CC[NH3+] ZINC001258437449 991374039 /nfs/dbraw/zinc/37/40/39/991374039.db2.gz HEEVHYUPTLHMLB-ZDUSSCGKSA-N 2 0 229.412 1.825 20 0 BDADRP [NH3+][C@H]1C[C@@H](c2nc([C@H]3C[NH+]4CCC3CC4)no2)C1 ZINC001328413425 991389957 /nfs/dbraw/zinc/38/99/57/991389957.db2.gz REOIODJRTNVPFM-AXFHLTTASA-N 2 0 248.330 1.084 20 0 BDADRP C[C@@H](C[NH3+])C[N@H+](C)[C@@H](C)Cc1cccnc1 ZINC001258615197 991540973 /nfs/dbraw/zinc/54/09/73/991540973.db2.gz FCVAAWNYXHIBAB-RYUDHWBXSA-N 2 0 221.348 1.539 20 0 BDADRP CC[NH+]1CCC(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)CC1 ZINC001560763911 991586875 /nfs/dbraw/zinc/58/68/75/991586875.db2.gz QHXLUUVRKLWQFF-KGLIPLIRSA-N 2 0 238.375 1.033 20 0 BDADRP CCC[NH+]1CCC(n2ccnc2C(N)=[NH2+])CC1 ZINC001258766330 991726943 /nfs/dbraw/zinc/72/69/43/991726943.db2.gz QSNZHJFWNDXZOJ-UHFFFAOYSA-N 2 0 235.335 1.214 20 0 BDADRP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@@H](C[NH3+])C(=O)OC ZINC001258779156 991746243 /nfs/dbraw/zinc/74/62/43/991746243.db2.gz AKGBAGAWNKOOFT-QJPTWQEYSA-N 2 0 244.379 1.539 20 0 BDADRP C[C@@H]1CCC[C@H]([NH2+]CCSCC[NH3+])C1 ZINC001258815923 991803606 /nfs/dbraw/zinc/80/36/06/991803606.db2.gz VLFRDBKUARAEQI-MNOVXSKESA-N 2 0 216.394 1.847 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1(C(N)=O)CC1 ZINC001258897261 991889747 /nfs/dbraw/zinc/88/97/47/991889747.db2.gz GTVMOXLCROVRGX-LLVKDONJSA-N 2 0 241.379 1.104 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C[C@H]1C[C@H](O)C1 ZINC001258899897 991890052 /nfs/dbraw/zinc/89/00/52/991890052.db2.gz VTHZLTJLMNXWSA-MGPQQGTHSA-N 2 0 242.407 1.857 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CC(C)(O)C1 ZINC001258907122 991894605 /nfs/dbraw/zinc/89/46/05/991894605.db2.gz FYWBPCWWLYXTRM-GFCCVEGCSA-N 2 0 228.380 1.564 20 0 BDADRP CC[NH+](CC)CCC[C@@H](C)N1CC(C)([NH3+])C1 ZINC001258905488 991895472 /nfs/dbraw/zinc/89/54/72/991895472.db2.gz TWJHMJJFPAFLLO-GFCCVEGCSA-N 2 0 227.396 1.530 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@@H]1CO ZINC001258910758 991899747 /nfs/dbraw/zinc/89/97/47/991899747.db2.gz UPKJGSPADMMTFQ-UONOGXRCSA-N 2 0 242.407 1.954 20 0 BDADRP CC(C)C[NH2+]CC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001568674701 992199938 /nfs/dbraw/zinc/19/99/38/992199938.db2.gz SXFJIUIYMUKZOD-GFCCVEGCSA-N 2 0 243.395 1.079 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+]Cc1ccc(NC(C)=O)cc1 ZINC001261370611 992280451 /nfs/dbraw/zinc/28/04/51/992280451.db2.gz ONDMIXRSUPSRMY-LLVKDONJSA-N 2 0 249.358 1.733 20 0 BDADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001261515286 992364933 /nfs/dbraw/zinc/36/49/33/992364933.db2.gz BORFXDWHWWVHNN-MJBXVCDLSA-N 2 0 240.391 1.469 20 0 BDADRP CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001570653704 992494607 /nfs/dbraw/zinc/49/46/07/992494607.db2.gz VBNRUERVIHZCNL-NWDGAFQWSA-N 2 0 243.395 1.219 20 0 BDADRP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH+](C)C(C)C ZINC001570746563 992519887 /nfs/dbraw/zinc/51/98/87/992519887.db2.gz XQBUNMPSRYRRQS-LBPRGKRZSA-N 2 0 243.395 1.173 20 0 BDADRP [NH3+]CCCOCC[NH2+]Cc1cccc2c[nH]nc21 ZINC001261835236 992531191 /nfs/dbraw/zinc/53/11/91/992531191.db2.gz NTEDCUOXIYXSRT-UHFFFAOYSA-N 2 0 248.330 1.018 20 0 BDADRP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)C1CC[NH2+]CC1 ZINC001261904037 992571131 /nfs/dbraw/zinc/57/11/31/992571131.db2.gz SCLDBUKJGNJZNY-LKSINWNRSA-N 3 0 239.407 1.482 20 0 BDADRP C[NH2+]C[C@H]1CCCCN1C(=O)CCCCC[NH3+] ZINC001262041354 992627656 /nfs/dbraw/zinc/62/76/56/992627656.db2.gz VOJGNQMJPBTARZ-GFCCVEGCSA-N 2 0 241.379 1.106 20 0 BDADRP C[NH2+][C@H](C)CC[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC001262201702 992797195 /nfs/dbraw/zinc/79/71/95/992797195.db2.gz CUZAXYFDIVNSFS-YIYPIFLZSA-N 2 0 240.391 1.779 20 0 BDADRP Oc1ccc2c(c1)C[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001574439605 992859622 /nfs/dbraw/zinc/85/96/22/992859622.db2.gz BICLNDRSLLERDJ-UHFFFAOYSA-N 2 0 232.327 1.707 20 0 BDADRP C1C[C@@H]2C[C@H](N[C@H]3C[C@H]4CC[C@@H]3[NH2+]4)CC[N@@H+]2C1 ZINC001574794682 992910223 /nfs/dbraw/zinc/91/02/23/992910223.db2.gz HRZQXTNTZMTROF-POQQGIQPSA-N 2 0 235.375 1.096 20 0 BDADRP CC(C)CC[C@@H](O)C[NH2+]CC1CC[NH+](C)CC1 ZINC001262563523 992915149 /nfs/dbraw/zinc/91/51/49/992915149.db2.gz HNMNUETXRMZCRT-CQSZACIVSA-N 2 0 242.407 1.715 20 0 BDADRP C=Cn1cc(C[NH2+][C@H](C)CCCC[NH3+])cn1 ZINC001574963467 992952978 /nfs/dbraw/zinc/95/29/78/992952978.db2.gz UZYMCMXCYGUQMT-LLVKDONJSA-N 2 0 222.336 1.591 20 0 BDADRP CC(C)([NH3+])CC(=O)Nc1ccc2c[nH+]cn2c1 ZINC001575345365 993017325 /nfs/dbraw/zinc/01/73/25/993017325.db2.gz FKIXLBPWMVRRJZ-UHFFFAOYSA-N 2 0 232.287 1.400 20 0 BDADRP C[NH+](C)CC1(CNc2cc[nH+]c(N)n2)CCCC1 ZINC001262690512 993033030 /nfs/dbraw/zinc/03/30/30/993033030.db2.gz CZTVQVPTQUSCBQ-UHFFFAOYSA-N 2 0 249.362 1.593 20 0 BDADRP CC(C)[C@@H](C[NH3+])C[NH2+]CCO[C@@H]1CCCCO1 ZINC001575422879 993033940 /nfs/dbraw/zinc/03/39/40/993033940.db2.gz NTDIWFMYGRATFG-QWHCGFSZSA-N 2 0 244.379 1.350 20 0 BDADRP CC(C)[C@@H](C[NH3+])C[NH2+]C[C@@H](CO)CC1CC1 ZINC001575422274 993040564 /nfs/dbraw/zinc/04/05/64/993040564.db2.gz GZLKZWSRQWWCCX-STQMWFEESA-N 2 0 228.380 1.216 20 0 BDADRP CC(C)C1(C[NH+]2CCC([NH3+])(CO)CC2)CC1 ZINC001575475112 993054374 /nfs/dbraw/zinc/05/43/74/993054374.db2.gz KJGMBIBSHSCNAY-UHFFFAOYSA-N 2 0 226.364 1.208 20 0 BDADRP CC(C)C1([NH2+]C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC001575497321 993056319 /nfs/dbraw/zinc/05/63/19/993056319.db2.gz WSMWJZKMZPMJJI-NSHDSACASA-N 2 0 224.348 1.286 20 0 BDADRP CC(C)[C@]1(CO)CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC001575495772 993056420 /nfs/dbraw/zinc/05/64/20/993056420.db2.gz CQGGVWLEGJMKMH-ZIAGYGMSSA-N 2 0 240.391 1.326 20 0 BDADRP CC(C)C[C@](C)(C[NH3+])C(=O)N(C)CC[NH+](C)C ZINC001575522899 993062962 /nfs/dbraw/zinc/06/29/62/993062962.db2.gz QRGRDEDGWKBIPP-CYBMUJFWSA-N 2 0 243.395 1.018 20 0 BDADRP CC(C)CC1(C)CC[NH+](C[C@@](C)(O)C[NH3+])CC1 ZINC001575550085 993069684 /nfs/dbraw/zinc/06/96/84/993069684.db2.gz YGVDHTFYZODDFM-AWEZNQCLSA-N 2 0 242.407 1.844 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)NC(C)(C)C[NH+](C)C ZINC001575644413 993091974 /nfs/dbraw/zinc/09/19/74/993091974.db2.gz JYTKZIDJHFRJIP-NSHDSACASA-N 2 0 243.395 1.206 20 0 BDADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[NH2+][C@@H]2C[C@@H]21 ZINC001575699300 993098803 /nfs/dbraw/zinc/09/88/03/993098803.db2.gz DJRVDCKPRPRKQR-MCIONIFRSA-N 2 0 237.391 1.295 20 0 BDADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]([NH3+])C1CCCCCC1 ZINC001263110469 993120952 /nfs/dbraw/zinc/12/09/52/993120952.db2.gz WVHCZTIAAPZXHS-JBLDHEPKSA-N 2 0 241.379 1.136 20 0 BDADRP C[C@H](CC1CCOCC1)[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC001575940937 993132734 /nfs/dbraw/zinc/13/27/34/993132734.db2.gz FDXIXJHOGIYPBB-YUSALJHKSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@@H](CC1CCOCC1)[NH2+][C@H]1C[C@@H]([NH3+])C1 ZINC001575940938 993134374 /nfs/dbraw/zinc/13/43/74/993134374.db2.gz FDXIXJHOGIYPBB-ZMLRMANQSA-N 2 0 212.337 1.271 20 0 BDADRP CCC1([NH3+])CCN(C(=O)[C@H]([NH3+])CC(C)C)CC1 ZINC001263182817 993152804 /nfs/dbraw/zinc/15/28/04/993152804.db2.gz ZKDRBRLGXVTAJF-LLVKDONJSA-N 2 0 241.379 1.090 20 0 BDADRP C[C@@H](COCC1CC1)[NH2+]C[C@H]([NH3+])CC(F)F ZINC001576038964 993163503 /nfs/dbraw/zinc/16/35/03/993163503.db2.gz APJJETIVRCMSPB-WCBMZHEXSA-N 2 0 236.306 1.374 20 0 BDADRP C[C@H](Cc1ccno1)[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576067689 993170436 /nfs/dbraw/zinc/17/04/36/993170436.db2.gz YBVHXLWENQTNNB-OUAUKWLOSA-N 2 0 223.320 1.323 20 0 BDADRP COC(C)(C)CC[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC000378675955 993197837 /nfs/dbraw/zinc/19/78/37/993197837.db2.gz PCFGRGFAEHVXGW-NSHDSACASA-N 2 0 214.353 1.615 20 0 BDADRP [NH3+]Cc1ccccc1NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC001263266300 993198100 /nfs/dbraw/zinc/19/81/00/993198100.db2.gz KMDFUVVSZJEFCQ-KLPPZKSPSA-N 2 0 247.342 1.601 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CC[C@@H]([NH3+])C1)[C@H]1CCCOC1 ZINC001576243922 993230526 /nfs/dbraw/zinc/23/05/26/993230526.db2.gz GZPSWXSJZBELQE-ZDEQEGDKSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@@](O)(C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)C(F)F ZINC001576257629 993236985 /nfs/dbraw/zinc/23/69/85/993236985.db2.gz DTCUIFVHDSIEHA-WCQGTBRESA-N 2 0 248.317 1.063 20 0 BDADRP C[C@@H](O)[C@@H]1CCC[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001576269059 993242854 /nfs/dbraw/zinc/24/28/54/993242854.db2.gz LCHHLGFCIIPNAK-YVECIDJPSA-N 2 0 226.364 1.207 20 0 BDADRP C[C@@H](O)C[C@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC001576273411 993252876 /nfs/dbraw/zinc/25/28/76/993252876.db2.gz VCQZCABLUQSLFG-JHJVBQTASA-N 2 0 226.364 1.221 20 0 BDADRP C[NH+]1CCC(N2CCOc3ccccc3C2)CC1 ZINC000585381800 993263454 /nfs/dbraw/zinc/26/34/54/993263454.db2.gz ZOGXTDZBZZLIFX-UHFFFAOYSA-N 2 0 246.354 1.975 20 0 BDADRP CC(C)(C)[NH+]1CCN(C[C@@H]([NH3+])CC(F)F)CC1 ZINC000379747989 993273331 /nfs/dbraw/zinc/27/33/31/993273331.db2.gz AXIUVLNFDGMYNT-JTQLQIEISA-N 2 0 249.349 1.385 20 0 BDADRP CC1(C)[C@H]([NH2+]C[C@H](O)Cc2ccccc2)C[C@@H]1[NH3+] ZINC001576380521 993286043 /nfs/dbraw/zinc/28/60/43/993286043.db2.gz TWUWCNWXICBORD-HZSPNIEDSA-N 2 0 248.370 1.305 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC[C@H](O)c1ccccc1 ZINC001576384120 993293194 /nfs/dbraw/zinc/29/31/94/993293194.db2.gz UAPZBPYZPRGSJD-MJBXVCDLSA-N 2 0 248.370 1.826 20 0 BDADRP CC1(C)C[C@H]([NH2+]C[C@H]2CCC[NH2+]CC2)CO1 ZINC001576393808 993295496 /nfs/dbraw/zinc/29/54/96/993295496.db2.gz KZZOKPYCFUOHBE-RYUDHWBXSA-N 2 0 226.364 1.533 20 0 BDADRP C[NH+](C)[C@@H](CNc1cc[nH+]cc1)C1CC1 ZINC000379959747 993297598 /nfs/dbraw/zinc/29/75/98/993297598.db2.gz WMZIEGDLOOKBGM-LBPRGKRZSA-N 2 0 205.305 1.256 20 0 BDADRP CC1(C)CO[C@H](CC[NH2+]C2CC3(C[C@H]3[NH3+])C2)C1 ZINC001576484220 993320285 /nfs/dbraw/zinc/32/02/85/993320285.db2.gz PJZPUYSCCGNTFW-CBKZZEEASA-N 2 0 238.375 1.661 20 0 BDADRP CC1(C)OC[C@H](C[NH2+]C[C@@H]2CCC[NH2+]CC2)O1 ZINC001576494819 993322237 /nfs/dbraw/zinc/32/22/37/993322237.db2.gz GRQKNLBYOBULER-NEPJUHHUSA-N 2 0 242.363 1.117 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCC[NH2+]C1 ZINC001576525578 993331334 /nfs/dbraw/zinc/33/13/34/993331334.db2.gz GWMHAHQAUYALQK-QUGYJXMDSA-N 2 0 236.359 1.142 20 0 BDADRP C[C@]1([NH2+]CCC[NH2+]C2CC2)CCO[C@H]1C1CC1 ZINC001576545530 993336711 /nfs/dbraw/zinc/33/67/11/993336711.db2.gz NNDSSCFCROUGJL-KBPBESRZSA-N 2 0 238.375 1.676 20 0 BDADRP CC(C)(C)[C@@H](O)C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC000380684770 993341048 /nfs/dbraw/zinc/34/10/48/993341048.db2.gz HFWVMXWZQLDURQ-NEPJUHHUSA-N 2 0 228.380 1.454 20 0 BDADRP CC1=CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC001576556523 993341196 /nfs/dbraw/zinc/34/11/96/993341196.db2.gz RXKBTEDSEDMTMU-NDBYEHHHSA-N 2 0 206.333 1.968 20 0 BDADRP O[C@H](CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000380820860 993351856 /nfs/dbraw/zinc/35/18/56/993351856.db2.gz XPJFARNNPIGSNZ-SOUVJXGZSA-N 2 0 246.354 1.261 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+]CCC2CSC2)CC[NH2+]1 ZINC001576596869 993360317 /nfs/dbraw/zinc/36/03/17/993360317.db2.gz BFRGPNVDTPMRGB-MNOVXSKESA-N 2 0 228.405 1.717 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+]C2CC3(C[C@H]3[NH3+])C2)[C@H](C)O1 ZINC001576597564 993361423 /nfs/dbraw/zinc/36/14/23/993361423.db2.gz GINHSBSWHVKFMU-VZMZYHHQSA-N 2 0 224.348 1.269 20 0 BDADRP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C[C@@]2(O)CC[NH2+]C2)C1 ZINC001576646436 993381162 /nfs/dbraw/zinc/38/11/62/993381162.db2.gz DBEUIYYGQXRDAL-MROQNXINSA-N 2 0 226.364 1.125 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CCC[NH2+]C2)[C@H](C)C1 ZINC001576670439 993388883 /nfs/dbraw/zinc/38/88/83/993388883.db2.gz IFSFHLDKQXVGKR-YIYPIFLZSA-N 2 0 240.391 1.515 20 0 BDADRP C[NH+](C)CCC[NH2+]C1CCC([NH+](C)C)CC1 ZINC000381492592 993400279 /nfs/dbraw/zinc/40/02/79/993400279.db2.gz YTFONUCBFBCRDI-UHFFFAOYSA-N 3 0 227.396 1.401 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C[C@@H]1O ZINC001576729150 993405876 /nfs/dbraw/zinc/40/58/76/993405876.db2.gz DUTDNXJLDQDUFZ-AGIUHOORSA-N 2 0 226.364 1.079 20 0 BDADRP CC1CC[NH+](CCN(C)C[C@@H]2CC[NH2+]2)CC1 ZINC001576731585 993410702 /nfs/dbraw/zinc/41/07/02/993410702.db2.gz MDKJYXGMEOKJKH-ZDUSSCGKSA-N 2 0 225.380 1.012 20 0 BDADRP C[N@@H+]1CCC[C@@H]([NH2+]CC2(CO)CCC2)CC1 ZINC000381649285 993412780 /nfs/dbraw/zinc/41/27/80/993412780.db2.gz CREHQJDTPDERPB-GFCCVEGCSA-N 2 0 226.364 1.223 20 0 BDADRP C[C@H]1C[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C[C@]1(C)CO ZINC001576807430 993429352 /nfs/dbraw/zinc/42/93/52/993429352.db2.gz PWPAVUUGMNMRNC-WUHRBBMRSA-N 2 0 226.364 1.064 20 0 BDADRP C[C@H]1CSC[C@@H]1[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC001576860900 993439077 /nfs/dbraw/zinc/43/90/77/993439077.db2.gz NUWYKIWHBJLGPZ-KXNHARMFSA-N 2 0 228.405 1.573 20 0 BDADRP C[C@@H]1CSC[C@@H]1[NH2+]C[C@@H]1CCCC[NH2+]C1 ZINC001576861231 993440151 /nfs/dbraw/zinc/44/01/51/993440151.db2.gz PINHYFZMFWMHJV-UTUOFQBUSA-N 2 0 228.405 1.717 20 0 BDADRP C[C@H]1OCC[C@@H]1C[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC001576903536 993451507 /nfs/dbraw/zinc/45/15/07/993451507.db2.gz LNCCFRWYECEAJP-LPWJVIDDSA-N 2 0 224.348 1.286 20 0 BDADRP CC[C@H](C)[C@H](C[N@H+](C)CCC[NH2+]C)OC ZINC001576960481 993467645 /nfs/dbraw/zinc/46/76/45/993467645.db2.gz DVXJZADGRIWVGR-RYUDHWBXSA-N 2 0 216.369 1.589 20 0 BDADRP CC[C@](C)(O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001576959320 993468510 /nfs/dbraw/zinc/46/85/10/993468510.db2.gz FFHIQPYUUVOWPX-STQMWFEESA-N 2 0 226.364 1.223 20 0 BDADRP CC[C@H](C)[C@@H](C[N@@H+]1CC[C@@H](CC[NH3+])C1)OC ZINC001576960946 993470824 /nfs/dbraw/zinc/47/08/24/993470824.db2.gz IUZQMTYZZHZTEW-YNEHKIRRSA-N 2 0 228.380 1.718 20 0 BDADRP CC[C@H](C)[C@@H](C[NH2+][C@H]1C[C@@H]([NH3+])C1)OC ZINC001576973664 993476943 /nfs/dbraw/zinc/47/69/43/993476943.db2.gz YGSQWFXBDMAIDF-UKKRHICBSA-N 2 0 200.326 1.127 20 0 BDADRP CC[C@H](C)[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])C1)OC ZINC001576973663 993477140 /nfs/dbraw/zinc/47/71/40/993477140.db2.gz YGSQWFXBDMAIDF-MMWGEVLESA-N 2 0 200.326 1.127 20 0 BDADRP CCC(CC)(CC)[NH2+]C[C@H](O)CC[NH3+] ZINC001577050131 993489715 /nfs/dbraw/zinc/48/97/15/993489715.db2.gz JYQTVZQFGKOXND-SNVBAGLBSA-N 2 0 202.342 1.255 20 0 BDADRP CC[C@H](CO)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001577088426 993499826 /nfs/dbraw/zinc/49/98/26/993499826.db2.gz CHJLKTBRCRWQMS-MGPQQGTHSA-N 2 0 240.391 1.469 20 0 BDADRP CC[C@@](O)(CN(C)CCC[NH2+]C)C(F)(F)F ZINC001577182401 993535886 /nfs/dbraw/zinc/53/58/86/993535886.db2.gz OIPWPNKDTHITOH-SECBINFHSA-N 2 0 242.285 1.231 20 0 BDADRP CC[C@H]([NH3+])C[NH2+]C[C@H](CC(C)C)OC ZINC001577124896 993514100 /nfs/dbraw/zinc/51/41/00/993514100.db2.gz WAOITDBHPLODSB-QWRGUYRKSA-N 2 0 202.342 1.374 20 0 BDADRP COC[C@@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000383832741 993522477 /nfs/dbraw/zinc/52/24/77/993522477.db2.gz RNWQNNACMZUOGL-ZDUSSCGKSA-N 2 0 226.364 1.487 20 0 BDADRP CC[C@@H]([NH2+]C[C@H]([NH3+])CCOC)C1CC1 ZINC001577175644 993532715 /nfs/dbraw/zinc/53/27/15/993532715.db2.gz DOQMAELCNAZAOA-GHMZBOCLSA-N 2 0 200.326 1.128 20 0 BDADRP CC[C@@H]([NH2+]C[C@H]([NH3+])CCOC)C1CCOCC1 ZINC001577175857 993533620 /nfs/dbraw/zinc/53/36/20/993533620.db2.gz JXSMUQNMUKFUDN-CHWSQXEVSA-N 2 0 244.379 1.145 20 0 BDADRP CC[C@@]1(C)CCC[C@H]1[NH2+]CCOCCC[NH3+] ZINC001577205349 993547323 /nfs/dbraw/zinc/54/73/23/993547323.db2.gz NQSPGACPBVFPOA-OLZOCXBDSA-N 2 0 228.380 1.910 20 0 BDADRP CC[C@@H]1C[N@H+](CC)CCN1C[C@@H]1C[NH2+]C[C@H]1C ZINC001577280094 993577626 /nfs/dbraw/zinc/57/76/26/993577626.db2.gz XLAZKSMKCORCGZ-HZSPNIEDSA-N 2 0 239.407 1.258 20 0 BDADRP CCC[C@@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(C)C1)OC ZINC001577358208 993615728 /nfs/dbraw/zinc/61/57/28/993615728.db2.gz UCWKXNLGJVWQGL-AGIUHOORSA-N 2 0 226.364 1.343 20 0 BDADRP CCCCN(C)C[C@@H](C)[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC001577445146 993664722 /nfs/dbraw/zinc/66/47/22/993664722.db2.gz JQPSJWYJVKUXSS-MGPQQGTHSA-N 2 0 241.423 1.824 20 0 BDADRP CCC[N@H+](CC)C[C@@H](C)NCC(C)(C)[NH3+] ZINC001577510442 993668708 /nfs/dbraw/zinc/66/87/08/993668708.db2.gz OFKBXQUTEVZFCZ-LLVKDONJSA-N 2 0 215.385 1.434 20 0 BDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@@H](C)C[NH2+]C ZINC001577510324 993677030 /nfs/dbraw/zinc/67/70/30/993677030.db2.gz KFTDRRVJXOJXFQ-NWDGAFQWSA-N 2 0 243.395 1.079 20 0 BDADRP CCC[N@@H+]1CC[C@@H](NC[C@]2(C)CCC[NH2+]C2)C1 ZINC001577533257 993680416 /nfs/dbraw/zinc/68/04/16/993680416.db2.gz BQUGCWJXLSYCJP-ZIAGYGMSSA-N 2 0 239.407 1.450 20 0 BDADRP CCCSC[C@H](C)[NH2+]CC1([NH3+])CCC1 ZINC001577597144 993689676 /nfs/dbraw/zinc/68/96/76/993689676.db2.gz SIJYPJUUPYXMDV-JTQLQIEISA-N 2 0 216.394 1.989 20 0 BDADRP CCOC(=O)[C@@H](C)C[NH2+]C1CC[NH+](CC)CC1 ZINC000387203473 993706516 /nfs/dbraw/zinc/70/65/16/993706516.db2.gz HZCLWUUGHMKZTG-NSHDSACASA-N 2 0 242.363 1.260 20 0 BDADRP CCSCC[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC000389292118 993740938 /nfs/dbraw/zinc/74/09/38/993740938.db2.gz CUDLMRRCMCHCDB-NSHDSACASA-N 2 0 216.394 1.813 20 0 BDADRP C[N@@H+]1CCC[C@@H](N2CCCC[C@H](C[NH3+])C2)C1 ZINC000390620859 993799317 /nfs/dbraw/zinc/79/93/17/993799317.db2.gz FPHNWTTUARZAMJ-CHWSQXEVSA-N 2 0 225.380 1.141 20 0 BDADRP CC[N@H+](C)CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001265956406 993992438 /nfs/dbraw/zinc/99/24/38/993992438.db2.gz LVAVMWLLTZFFRO-LBPRGKRZSA-N 2 0 243.395 1.031 20 0 BDADRP Cc1nc(CN2CC[NH+](CC(C)C)CC2)c[nH]1 ZINC000724778367 994075463 /nfs/dbraw/zinc/07/54/63/994075463.db2.gz VOJLSAOLYTVUQX-UHFFFAOYSA-N 2 0 236.363 1.492 20 0 BDADRP CC[N@H+](C)CCNC(=O)C[NH+](C)CC(C)(C)C ZINC001492424656 995052785 /nfs/dbraw/zinc/05/27/85/995052785.db2.gz SAEOYWJKAVALOE-UHFFFAOYSA-N 2 0 243.395 1.032 20 0 BDADRP C[C@@H](O)[C@H](C)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC001307609225 995416575 /nfs/dbraw/zinc/41/65/75/995416575.db2.gz MRFFDGKJKIDSMV-NWDGAFQWSA-N 2 0 226.364 1.316 20 0 BDADRP C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)[C@@H]1CCOC1 ZINC000400645129 398137028 /nfs/dbraw/zinc/13/70/28/398137028.db2.gz UIBKSPQRAJANGF-JHJVBQTASA-N 2 0 224.348 1.097 20 0 BDADRP Cn1cncc1C[NH2+]CCC(F)(F)F ZINC000085169571 136211745 /nfs/dbraw/zinc/21/17/45/136211745.db2.gz SRZFOXMAXDTIDR-UHFFFAOYSA-N 2 0 207.199 1.462 20 0 BDADRP CCC(CC)(C[NH3+])C(=O)N[C@H](C)CC[NH+](C)C ZINC000044763848 168322806 /nfs/dbraw/zinc/32/28/06/168322806.db2.gz MXDBWXFTDWJOOS-LLVKDONJSA-N 2 0 243.395 1.208 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000300976297 349486686 /nfs/dbraw/zinc/48/66/86/349486686.db2.gz HQSIIRQEPNCFOX-KXNHARMFSA-N 2 0 212.337 1.271 20 0 BDADRP CCC(CC)(CCO)C[NH2+]C1CC[NH2+]CC1 ZINC000415088267 398157130 /nfs/dbraw/zinc/15/71/30/398157130.db2.gz WAWZSZBJOWUPKX-UHFFFAOYSA-N 2 0 228.380 1.517 20 0 BDADRP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)ccn1 ZINC000336233892 178032797 /nfs/dbraw/zinc/03/27/97/178032797.db2.gz YGWXYWNGTLCZFV-BXUZGUMPSA-N 2 0 233.359 1.820 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCc1ccccc1 ZINC000122371604 398178387 /nfs/dbraw/zinc/17/83/87/398178387.db2.gz RVXGLJDHMBPUSE-TZMCWYRMSA-N 2 0 218.344 1.898 20 0 BDADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@H](C)CCC[NH3+])C1(C)C ZINC000423019848 398161195 /nfs/dbraw/zinc/16/11/95/398161195.db2.gz XLSZYCPCWVYFLP-DDHJBXDOSA-N 2 0 228.380 1.763 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCc1ccccc1O ZINC000422976875 398161251 /nfs/dbraw/zinc/16/12/51/398161251.db2.gz VTBVDZKFBHYOLJ-GHMZBOCLSA-N 2 0 222.332 1.650 20 0 BDADRP C[C@]1(C[NH2+]CC2CCOCC2)CC[NH2+]C1 ZINC000415097733 398161860 /nfs/dbraw/zinc/16/18/60/398161860.db2.gz DGNVZQSXEZQTNV-LBPRGKRZSA-N 2 0 212.337 1.002 20 0 BDADRP COCC1CCC([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000423174718 398163953 /nfs/dbraw/zinc/16/39/53/398163953.db2.gz COGSEAOSONJHTO-GFJIZPEISA-N 2 0 240.391 1.922 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCc3cn[nH]c3)C[C@H]21 ZINC000379746318 398164091 /nfs/dbraw/zinc/16/40/91/398164091.db2.gz BWXGSPNMMFCIMZ-YNEHKIRRSA-N 2 0 234.347 1.011 20 0 BDADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccccn1 ZINC000423174551 398164666 /nfs/dbraw/zinc/16/46/66/398164666.db2.gz BAGSFUTTWQZVOE-ZDUSSCGKSA-N 2 0 248.374 1.028 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCC(C)(C)CO)CC[N@@H+]1C ZINC000385933741 398192493 /nfs/dbraw/zinc/19/24/93/398192493.db2.gz VEKVLMDVKBALBL-NWDGAFQWSA-N 2 0 228.380 1.467 20 0 BDADRP Cc1cc(N2CC[C@@H](C[NH+](C)C)C2)cc[nH+]1 ZINC000293007986 178117497 /nfs/dbraw/zinc/11/74/97/178117497.db2.gz HZPWMJDDUHLTTG-LBPRGKRZSA-N 2 0 219.332 1.778 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H]1c1ccccc1)C1C[NH2+]C1 ZINC000647800522 398206170 /nfs/dbraw/zinc/20/61/70/398206170.db2.gz DTPXBQISVBQRLM-NJZAAPMLSA-N 2 0 230.355 1.988 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386466729 398208190 /nfs/dbraw/zinc/20/81/90/398208190.db2.gz PZBHVMBBRYYIKK-MJBXVCDLSA-N 2 0 241.423 1.837 20 0 BDADRP Cc1cc(C)n(CC[NH2+][C@@](C)(C[NH3+])C(C)C)n1 ZINC000649410681 398209017 /nfs/dbraw/zinc/20/90/17/398209017.db2.gz MVFPWGRDBTWPIM-ZDUSSCGKSA-N 2 0 238.379 1.463 20 0 BDADRP CC(C)N(Cc1ccccn1)C[C@H]1CC[NH2+]C1 ZINC000649411920 398214397 /nfs/dbraw/zinc/21/43/97/398214397.db2.gz UVGNNFBTDPVFNP-ZDUSSCGKSA-N 2 0 233.359 1.902 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCS[C@@H]1C ZINC000647803969 398214646 /nfs/dbraw/zinc/21/46/46/398214646.db2.gz GGOCRYXUECNZOK-QEYWKRMJSA-N 2 0 202.367 1.596 20 0 BDADRP CC(C)[NH2+]C1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000649414708 398218597 /nfs/dbraw/zinc/21/85/97/398218597.db2.gz RWQGVMOHKLJYAS-GFCCVEGCSA-N 2 0 225.380 1.058 20 0 BDADRP CC[NH+](CC)C[C@H]1CCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000649413952 398211938 /nfs/dbraw/zinc/21/19/38/398211938.db2.gz XCVFDQJYYYUSME-ZIAGYGMSSA-N 2 0 239.407 1.260 20 0 BDADRP C[C@H]([NH3+])CN1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000649413850 398211958 /nfs/dbraw/zinc/21/19/58/398211958.db2.gz MWSCNIXEZNRQCS-DZGCQCFKSA-N 2 0 247.386 1.540 20 0 BDADRP CC[C@@H]([NH3+])C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000576450961 365598380 /nfs/dbraw/zinc/59/83/80/365598380.db2.gz KVQNRECUZOGDIA-OLZOCXBDSA-N 2 0 249.358 1.320 20 0 BDADRP COC[C@@H](C)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000163548884 538929186 /nfs/dbraw/zinc/92/91/86/538929186.db2.gz PTSRMFSCLXFFMS-JTQLQIEISA-N 2 0 202.342 1.186 20 0 BDADRP CCC(CC)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000336687636 168352330 /nfs/dbraw/zinc/35/23/30/168352330.db2.gz FPKAYKOOYAIRKJ-CQSZACIVSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@@H]([NH3+])CC(=O)NCCC[NH+]1CCCCCC1 ZINC000430837509 398231808 /nfs/dbraw/zinc/23/18/08/398231808.db2.gz HRUGMAGTDIOZDZ-GFCCVEGCSA-N 2 0 241.379 1.106 20 0 BDADRP C[C@@H]1C[C@H](N(C)C2CC[NH+](C)CC2)CC[NH2+]1 ZINC000229539049 538939616 /nfs/dbraw/zinc/93/96/16/538939616.db2.gz KBXISIOZTSHBLY-DGCLKSJQSA-N 2 0 225.380 1.153 20 0 BDADRP CCC(CC)C[NH2+]CCCN1CC[NH+](C)CC1 ZINC000020128361 168359922 /nfs/dbraw/zinc/35/99/22/168359922.db2.gz CYFPYTMTGDYVJN-UHFFFAOYSA-N 2 0 241.423 1.650 20 0 BDADRP C[C@@H](CO)CCC[NH2+][C@H](C)CCCC[NH3+] ZINC000336700402 398240063 /nfs/dbraw/zinc/24/00/63/398240063.db2.gz PGAWWQSTSBNQSU-VXGBXAGGSA-N 2 0 216.369 1.502 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+][C@H](CO)Cc1ccccc1 ZINC000089150661 259308107 /nfs/dbraw/zinc/30/81/07/259308107.db2.gz AFJDUXITULVNIY-ILXRZTDVSA-N 2 0 248.370 1.307 20 0 BDADRP c1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)C2 ZINC000232473385 136229124 /nfs/dbraw/zinc/22/91/24/136229124.db2.gz TZURJHXXWKIRGV-CABCVRRESA-N 2 0 230.355 1.886 20 0 BDADRP CO[C@H](C[NH2+][C@@H](C)CCC[NH3+])C1CC1 ZINC000356358064 398247345 /nfs/dbraw/zinc/24/73/45/398247345.db2.gz WRAHHRXWGHEPGP-GXSJLCMTSA-N 2 0 200.326 1.128 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000576634736 365643375 /nfs/dbraw/zinc/64/33/75/365643375.db2.gz FKIRRCOYGFFNNO-GWCFXTLKSA-N 2 0 241.379 1.090 20 0 BDADRP CCN1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000040502665 343997772 /nfs/dbraw/zinc/99/77/72/343997772.db2.gz JAKNDYJHHKKNDY-LBPRGKRZSA-N 2 0 212.337 1.239 20 0 BDADRP CC[N@@H+]1CC[C@@H](CNCc2snnc2C)C1 ZINC000381628089 398267860 /nfs/dbraw/zinc/26/78/60/398267860.db2.gz LYCSIGHSTVJFSB-JTQLQIEISA-N 2 0 240.376 1.278 20 0 BDADRP CC[C@@H](COC)[NH2+]CCC[N@H+](C)C(C)C ZINC000166568403 361852844 /nfs/dbraw/zinc/85/28/44/361852844.db2.gz XZQRQOCCKRYUSJ-LBPRGKRZSA-N 2 0 216.369 1.731 20 0 BDADRP C[C@H]([NH2+]CCc1ccccn1)C1CC[NH+](C)CC1 ZINC000037209712 538962061 /nfs/dbraw/zinc/96/20/61/538962061.db2.gz HYOJMQUHUJSSRW-ZDUSSCGKSA-N 2 0 247.386 1.944 20 0 BDADRP CC1(C)C[N@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000036232624 342793022 /nfs/dbraw/zinc/79/30/22/342793022.db2.gz SENCJQCIGZLSGM-UHFFFAOYSA-N 2 0 226.364 1.487 20 0 BDADRP C1=CC[C@H](C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000379803233 538980385 /nfs/dbraw/zinc/98/03/85/538980385.db2.gz MYYLMWZHTVKKJM-RWMBFGLXSA-N 2 0 206.333 1.494 20 0 BDADRP C1=CC[C@@H](C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000379803250 538980467 /nfs/dbraw/zinc/98/04/67/538980467.db2.gz MYYLMWZHTVKKJM-UPJWGTAASA-N 2 0 206.333 1.494 20 0 BDADRP C[C@H]([NH2+]Cc1cocn1)C1CC[NH+](C)CC1 ZINC000381521085 539003293 /nfs/dbraw/zinc/00/32/93/539003293.db2.gz USACDRDYVHVWBZ-JTQLQIEISA-N 2 0 223.320 1.495 20 0 BDADRP CCO[C@@H](C[NH+]1CCC([NH+](C)C)CC1)C1CC1 ZINC000625081401 342850217 /nfs/dbraw/zinc/85/02/17/342850217.db2.gz OOZWYUQXJMAVDJ-AWEZNQCLSA-N 2 0 240.391 1.828 20 0 BDADRP CC(C)(C)C[C@H](O)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000300230571 259326974 /nfs/dbraw/zinc/32/69/74/259326974.db2.gz BIBQEOWUDDCYOX-SRVKXCTJSA-N 2 0 228.380 1.643 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386046901 342905353 /nfs/dbraw/zinc/90/53/53/342905353.db2.gz UOBKQQRAOVDZPV-MCIONIFRSA-N 2 0 239.407 1.591 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+]CC2CC[NH2+]CC2)C1(C)C ZINC000233765213 342912242 /nfs/dbraw/zinc/91/22/42/342912242.db2.gz IKGJCHDGXDAEOD-STQMWFEESA-N 2 0 240.391 1.779 20 0 BDADRP C[C@H]([NH2+]CCCOC(F)F)[C@@H]1CCC[NH2+]1 ZINC000400430410 398327291 /nfs/dbraw/zinc/32/72/91/398327291.db2.gz KXGCASCLVCCFLX-IUCAKERBSA-N 2 0 222.279 1.346 20 0 BDADRP CC[C@@H](O)[C@@H](CC)[NH2+]C1CCC([NH3+])CC1 ZINC000313094050 259330898 /nfs/dbraw/zinc/33/08/98/259330898.db2.gz QMMWLTHKNQUJLJ-KIDURHIOSA-N 2 0 214.353 1.395 20 0 BDADRP COCC(C)(C)C[NH+]1CCC(C)([NH3+])CC1 ZINC000381290101 398339948 /nfs/dbraw/zinc/33/99/48/398339948.db2.gz CTJKKJQEAYXPAB-UHFFFAOYSA-N 2 0 214.353 1.472 20 0 BDADRP C1C[NH2+][C@H]([C@H]2CCC[C@@H]2[NH2+][C@@H]2CCCOC2)C1 ZINC000093453299 259333764 /nfs/dbraw/zinc/33/37/64/259333764.db2.gz VLLHPIXBQIXUPB-MQYQWHSLSA-N 2 0 238.375 1.676 20 0 BDADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ncc[nH]1 ZINC000453391716 488191270 /nfs/dbraw/zinc/19/12/70/488191270.db2.gz DZSRNBWSOUUJKA-NSHDSACASA-N 2 0 236.363 1.935 20 0 BDADRP C[NH2+]CCCN1CCC[C@@H](C(F)(F)F)C1 ZINC000053498769 346904869 /nfs/dbraw/zinc/90/48/69/346904869.db2.gz RBPOJZSHPVZONB-SECBINFHSA-N 2 0 224.270 1.870 20 0 BDADRP CO[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)CC[C@@H]1C ZINC000261534202 536729587 /nfs/dbraw/zinc/72/95/87/536729587.db2.gz ORDVUJSXEXLFQQ-RWMBFGLXSA-N 2 0 226.364 1.343 20 0 BDADRP Cc1cccc(C[NH2+][C@@H](C)CCC[NH3+])n1 ZINC000308802699 259340707 /nfs/dbraw/zinc/34/07/07/259340707.db2.gz FFASYELYNNHTQU-JTQLQIEISA-N 2 0 207.321 1.607 20 0 BDADRP CC1(C)CC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000168429618 136267972 /nfs/dbraw/zinc/26/79/72/136267972.db2.gz FNSYTNIXPWJYAG-QWHCGFSZSA-N 2 0 240.391 1.611 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H](C)[C@@H]2CCOC2)CC1 ZINC000130583842 343181417 /nfs/dbraw/zinc/18/14/17/343181417.db2.gz RACHDCIVBUFRGH-GXTWGEPZSA-N 2 0 240.391 1.733 20 0 BDADRP CC(=O)Nc1ccc(C[N@H+](C)CCC[NH3+])cc1 ZINC000133724620 343186173 /nfs/dbraw/zinc/18/61/73/343186173.db2.gz MGDSCXPTTQZMKU-UHFFFAOYSA-N 2 0 235.331 1.426 20 0 BDADRP C[N@H+](CCC[NH3+])Cc1ccc(-n2ccnc2)cc1 ZINC000123313177 343161981 /nfs/dbraw/zinc/16/19/81/343161981.db2.gz FEWSVANWSSGWEL-UHFFFAOYSA-N 2 0 244.342 1.653 20 0 BDADRP Cc1nn(C)cc1CN1CC[C@H]([NH3+])C[C@@H]1C ZINC000128285905 343174195 /nfs/dbraw/zinc/17/41/95/343174195.db2.gz JEJKDUKKJBNMBE-CABZTGNLSA-N 2 0 222.336 1.040 20 0 BDADRP C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000134103751 343186852 /nfs/dbraw/zinc/18/68/52/343186852.db2.gz YATOEEPIQUNSSZ-QWRGUYRKSA-N 2 0 249.358 1.670 20 0 BDADRP CCOC[C@@H](C)[NH2+]CC1CC[NH+](CC)CC1 ZINC000133287890 343190181 /nfs/dbraw/zinc/19/01/81/343190181.db2.gz GOBUKODRVUKZLT-GFCCVEGCSA-N 2 0 228.380 1.733 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@@](C)(C[NH3+])C2CC2)O1 ZINC000634687775 343241792 /nfs/dbraw/zinc/24/17/92/343241792.db2.gz YZFCCBWUDDOQJU-JLLWLGSASA-N 2 0 212.337 1.271 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2[NH3+])O1 ZINC000634688020 343245295 /nfs/dbraw/zinc/24/52/95/343245295.db2.gz FUZKZHXYPDVOSE-DDHJBXDOSA-N 2 0 212.337 1.413 20 0 BDADRP Cn1nccc1CC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000634687999 343245638 /nfs/dbraw/zinc/24/56/38/343245638.db2.gz FDRRRXKNTLAYGJ-UHFFFAOYSA-N 2 0 248.374 1.038 20 0 BDADRP C[C@@H]1CC[C@@H](CN2CCC[C@H]3C[NH2+]C[C@H]32)O1 ZINC000634688199 343245993 /nfs/dbraw/zinc/24/59/93/343245993.db2.gz LMFCZFLXZMPHLL-MROQNXINSA-N 2 0 224.348 1.238 20 0 BDADRP C[C@H]1CC[C@@H](C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)O1 ZINC000634688279 343246567 /nfs/dbraw/zinc/24/65/67/343246567.db2.gz NSJZFQUIVPHELU-FQUUOJAGSA-N 2 0 238.375 1.485 20 0 BDADRP [NH3+]C[C@H]1CCN(C[C@H]2CC[NH2+]C2)c2ccccc21 ZINC000634688119 343247696 /nfs/dbraw/zinc/24/76/96/343247696.db2.gz IORPSSKMVDTWGT-QWHCGFSZSA-N 2 0 245.370 1.549 20 0 BDADRP C(C[NH2+]C1CCCCC1)CN1CC[NH2+]CC1 ZINC000088243562 136285722 /nfs/dbraw/zinc/28/57/22/136285722.db2.gz FBSSOXAPWHHVGC-UHFFFAOYSA-N 2 0 225.380 1.204 20 0 BDADRP C[C@@H]([NH3+])CN1CC[C@@H](C[NH3+])c2ccccc21 ZINC000634690837 343279643 /nfs/dbraw/zinc/27/96/43/343279643.db2.gz URFDHWBHNIRTHW-MNOVXSKESA-N 2 0 219.332 1.286 20 0 BDADRP Cc1nccn1CCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000348750729 136297050 /nfs/dbraw/zinc/29/70/50/136297050.db2.gz PNKWLWTYJHZBCE-IHRRRGAJSA-N 2 0 248.374 1.251 20 0 BDADRP C[C@@H](CNC(=O)C[C@@H]([NH3+])c1ccccc1)[NH+](C)C ZINC000038089266 343370472 /nfs/dbraw/zinc/37/04/72/343370472.db2.gz INPSIGVZKBUJBA-WCQYABFASA-N 2 0 249.358 1.143 20 0 BDADRP Cc1c[nH]nc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000335635196 136300880 /nfs/dbraw/zinc/30/08/80/136300880.db2.gz QXEHSDVTOTWGAU-QWHCGFSZSA-N 2 0 248.374 1.540 20 0 BDADRP CC(C)[C@H](C(=O)N[C@@H](C)CC[NH+](C)C)[NH+](C)C ZINC000349147379 136325659 /nfs/dbraw/zinc/32/56/59/136325659.db2.gz XMTPYTLGZOJBCW-NWDGAFQWSA-N 2 0 243.395 1.029 20 0 BDADRP CC[N@H+](CCC[NH+](C)C)C[C@H]1CCCOC1 ZINC000349361561 136343053 /nfs/dbraw/zinc/34/30/53/136343053.db2.gz BOCZNQYMOPFISY-CYBMUJFWSA-N 2 0 228.380 1.687 20 0 BDADRP Cc1ccc(CCC[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cn1 ZINC000339411217 178528111 /nfs/dbraw/zinc/52/81/11/178528111.db2.gz VYFLHTYLEAVAAC-IUODEOHRSA-N 2 0 247.386 1.992 20 0 BDADRP C[C@H]1C[C@@H]1C[N@H+](C)CCCn1ccnc1 ZINC000349423416 136345766 /nfs/dbraw/zinc/34/57/66/136345766.db2.gz XGCBTJUGGUPFEY-NWDGAFQWSA-N 2 0 207.321 1.861 20 0 BDADRP Cn1cc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)cn1 ZINC000335729631 136348301 /nfs/dbraw/zinc/34/83/01/136348301.db2.gz VDNOMDIOYJWNGD-CQSZACIVSA-N 2 0 248.374 1.338 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]CCC[NH3+])C12CCC2 ZINC000083684779 343496119 /nfs/dbraw/zinc/49/61/19/343496119.db2.gz PCTQLCSVPWRHAL-GHMZBOCLSA-N 2 0 212.337 1.273 20 0 BDADRP CC[NH+](CC)CCCNC(=O)[C@H](C[NH3+])C(C)C ZINC000044794114 343514786 /nfs/dbraw/zinc/51/47/86/343514786.db2.gz UMQNSNYEIKJTBV-GFCCVEGCSA-N 2 0 243.395 1.065 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000192560424 365755141 /nfs/dbraw/zinc/75/51/41/365755141.db2.gz ZPGBZRCKPWKFRT-AGIUHOORSA-N 2 0 226.364 1.343 20 0 BDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H](C)C[NH3+] ZINC000262022674 178545041 /nfs/dbraw/zinc/54/50/41/178545041.db2.gz AOJALJOQXZBHEM-NSHDSACASA-N 2 0 249.358 1.590 20 0 BDADRP CC[C@@H]([NH3+])C(=O)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000152926666 343612301 /nfs/dbraw/zinc/61/23/01/343612301.db2.gz GUHKGEZLCJDAJD-CYBMUJFWSA-N 2 0 249.358 1.732 20 0 BDADRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@H]1CCCOC1 ZINC000082581166 133502873 /nfs/dbraw/zinc/50/28/73/133502873.db2.gz IMPJDIWTPVARNV-NWDGAFQWSA-N 2 0 214.353 1.343 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+]C[C@@H]2C[C@H]2C)C1 ZINC000309055978 346956818 /nfs/dbraw/zinc/95/68/18/346956818.db2.gz UKDGXTOYUHEIKS-UPJWGTAASA-N 2 0 210.365 1.964 20 0 BDADRP CCC(C)(C)CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000380182597 343688874 /nfs/dbraw/zinc/68/88/74/343688874.db2.gz GIKXCWZHNDMXRY-VXGBXAGGSA-N 2 0 210.365 1.964 20 0 BDADRP CC[C@H](C)C[C@H](CC)[NH2+]CCN1CC[C@H](O)C1 ZINC000624333000 343716313 /nfs/dbraw/zinc/71/63/13/343716313.db2.gz FWLKFINDRJFUNG-IHRRRGAJSA-N 2 0 242.407 1.857 20 0 BDADRP CC[NH2+]CCCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000576506732 343751667 /nfs/dbraw/zinc/75/16/67/343751667.db2.gz DNNKIRQEKLBKEF-MJBXVCDLSA-N 2 0 239.407 1.448 20 0 BDADRP CO[C@@H](C)[C@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000447576131 201725172 /nfs/dbraw/zinc/72/51/72/201725172.db2.gz APJIMBQJNHYSAV-RYUDHWBXSA-N 2 0 240.391 1.874 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CC2CC[NH2+]CC2)C1 ZINC000634732819 344108134 /nfs/dbraw/zinc/10/81/34/344108134.db2.gz PQKBCFDHEYWBCT-CYBMUJFWSA-N 3 0 239.407 1.354 20 0 BDADRP Cn1cc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cn1 ZINC000634733082 344108732 /nfs/dbraw/zinc/10/87/32/344108732.db2.gz WXDBUHGUCNNOBS-GFCCVEGCSA-N 2 0 236.363 1.288 20 0 BDADRP C[C@H]1C[C@@H](C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)CC[NH2+]1 ZINC000634733432 344113298 /nfs/dbraw/zinc/11/32/98/344113298.db2.gz FRKNAIIMWKJQFY-FQUUOJAGSA-N 3 0 237.391 1.106 20 0 BDADRP CC1(C)C[NH2+]CC[C@H](N[C@H]2CCC[NH2+]C2)C1 ZINC000634734196 344114589 /nfs/dbraw/zinc/11/45/89/344114589.db2.gz ZGVGYOQKENMUQX-RYUDHWBXSA-N 2 0 225.380 1.106 20 0 BDADRP CC[C@@H]([NH3+])C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000130560292 344148125 /nfs/dbraw/zinc/14/81/25/344148125.db2.gz PLMADMFFPHWGDA-VXGBXAGGSA-N 2 0 241.379 1.057 20 0 BDADRP CC[NH+]1CCC(N[C@H](C)C[NH+](C)C)CC1 ZINC000130196022 344219065 /nfs/dbraw/zinc/21/90/65/344219065.db2.gz CNFTVEHUUTXACF-LLVKDONJSA-N 2 0 213.369 1.010 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@H](C)[C@H](C)OC ZINC000131853891 344237266 /nfs/dbraw/zinc/23/72/66/344237266.db2.gz OFTNDFBXWVMHHY-RYUDHWBXSA-N 2 0 216.369 1.731 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)CC[NH2+]1 ZINC000622004225 344181926 /nfs/dbraw/zinc/18/19/26/344181926.db2.gz MCEAGRRZZKZLQH-MQYQWHSLSA-N 3 0 237.391 1.188 20 0 BDADRP Cc1n[nH]cc1CCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000093215725 344312313 /nfs/dbraw/zinc/31/23/13/344312313.db2.gz PMHQSYSVHCCGRZ-STQMWFEESA-N 2 0 236.363 1.510 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCCCn2ccnc2)C1 ZINC000093215677 344312332 /nfs/dbraw/zinc/31/23/32/344312332.db2.gz QPHJBRLOVFUCGT-QWHCGFSZSA-N 2 0 236.363 1.523 20 0 BDADRP COC(=O)CCCC[NH+]1CCC(C)([NH3+])CC1 ZINC000600709236 344360912 /nfs/dbraw/zinc/36/09/12/344360912.db2.gz GVABREFNTIKCOD-UHFFFAOYSA-N 2 0 228.336 1.143 20 0 BDADRP COC(=O)CCCC[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000600712244 344361652 /nfs/dbraw/zinc/36/16/52/344361652.db2.gz VGWQDZVQJLVPTH-LBPRGKRZSA-N 2 0 242.363 1.533 20 0 BDADRP COC(=O)CCCC[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000600712512 344361841 /nfs/dbraw/zinc/36/18/41/344361841.db2.gz XSYCTHCLANPDNO-QWRGUYRKSA-N 2 0 228.336 1.141 20 0 BDADRP C[C@H]1C[C@@H]([NH3+])CN1CCCOc1ccccc1 ZINC000385202735 344376349 /nfs/dbraw/zinc/37/63/49/344376349.db2.gz BSNHYMRLSSKYCZ-QWHCGFSZSA-N 2 0 234.343 1.877 20 0 BDADRP C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)C1CC[NH+](C)CC1 ZINC000385292517 344388600 /nfs/dbraw/zinc/38/86/00/344388600.db2.gz ZXAUDAMKNHFWES-NMKXLXIOSA-N 2 0 240.391 1.872 20 0 BDADRP CCCCc1cc(NCCC[NH2+]C2CC2)ncn1 ZINC000634811822 344396330 /nfs/dbraw/zinc/39/63/30/344396330.db2.gz RPKNVNKIRIQYAJ-UHFFFAOYSA-N 2 0 248.374 1.795 20 0 BDADRP c1nc(NC2CC2)cc(N[C@H]2CCC[NH2+]CC2)n1 ZINC000634813609 344399119 /nfs/dbraw/zinc/39/91/19/344399119.db2.gz RJOJPILADVVIDY-JTQLQIEISA-N 2 0 247.346 1.605 20 0 BDADRP C[N@H+](C[C@@H]1CCCO1)CC1CC[NH2+]CC1 ZINC000042466479 344455929 /nfs/dbraw/zinc/45/59/29/344455929.db2.gz VKJXJUPPCHARFR-LBPRGKRZSA-N 2 0 212.337 1.097 20 0 BDADRP C([NH2+]C[C@@H]1CCCCO1)C1CC[NH2+]CC1 ZINC000042825201 344468679 /nfs/dbraw/zinc/46/86/79/344468679.db2.gz WFBFKUOOMIICOR-LBPRGKRZSA-N 2 0 212.337 1.145 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CCSC1 ZINC000577280543 344490439 /nfs/dbraw/zinc/49/04/39/344490439.db2.gz WSPSVUIGRHHHKZ-GUBZILKMSA-N 2 0 202.367 1.455 20 0 BDADRP C[C@H](c1cnccn1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000573846359 344533867 /nfs/dbraw/zinc/53/38/67/344533867.db2.gz CSADDJWZJIJODE-OCCSQVGLSA-N 2 0 246.358 1.613 20 0 BDADRP CC(C)C[C@H]([NH3+])c1noc(C[C@H]2CCC[NH2+]2)n1 ZINC000577512179 344534119 /nfs/dbraw/zinc/53/41/19/344534119.db2.gz LWCIEKDDSJYBOT-ZJUUUORDSA-N 2 0 238.335 1.410 20 0 BDADRP CCN1CCC([N@H+](C)CC[C@H](C)O)CC1 ZINC000044172835 344536851 /nfs/dbraw/zinc/53/68/51/344536851.db2.gz YJOPRTABRAQOGV-NSHDSACASA-N 2 0 214.353 1.173 20 0 BDADRP CCN1CCC[C@@H]1C[NH2+][C@H](C)CCCC[NH3+] ZINC000309413389 347057145 /nfs/dbraw/zinc/05/71/45/347057145.db2.gz VVVSMGCRKVMKRW-CHWSQXEVSA-N 2 0 227.396 1.578 20 0 BDADRP C[C@@H]([NH2+]C[C@]1(C)CCCO1)C1CC[NH+](C)CC1 ZINC000094797677 537851363 /nfs/dbraw/zinc/85/13/63/537851363.db2.gz HFKNWIFKBOASQX-OCCSQVGLSA-N 2 0 240.391 1.875 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C2CC2)C1 ZINC000400002286 344747661 /nfs/dbraw/zinc/74/76/61/344747661.db2.gz OMLPVYFWEFNROD-STQMWFEESA-N 2 0 226.364 1.031 20 0 BDADRP CC(C)[NH+](CCCNC1=[NH+]CCCN1)C(C)C ZINC000074797705 344760087 /nfs/dbraw/zinc/76/00/87/344760087.db2.gz DSBCVLZRDAGTSJ-UHFFFAOYSA-N 2 0 240.395 1.434 20 0 BDADRP C[C@H]1C[C@@H]1C[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000583357554 344763021 /nfs/dbraw/zinc/76/30/21/344763021.db2.gz YSJSPQNRRKPCJB-UONOGXRCSA-N 2 0 239.407 1.260 20 0 BDADRP CC[C@H](O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860139 344785971 /nfs/dbraw/zinc/78/59/71/344785971.db2.gz WRPDQJBPIOBNDP-STQMWFEESA-N 2 0 228.380 1.564 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@H](O)C(C)(C)C)C1 ZINC000563007271 323079551 /nfs/dbraw/zinc/07/95/51/323079551.db2.gz HQKXIUOXBVPTPQ-OLZOCXBDSA-N 2 0 242.407 1.715 20 0 BDADRP CN(CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000583391710 344878195 /nfs/dbraw/zinc/87/81/95/344878195.db2.gz DLCODUPQGSQOCF-UONOGXRCSA-N 2 0 247.386 1.982 20 0 BDADRP COc1ccc(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)cn1 ZINC000311026422 344907162 /nfs/dbraw/zinc/90/71/62/344907162.db2.gz CFMSUKBNOSORMN-STQMWFEESA-N 2 0 247.342 1.274 20 0 BDADRP CC(C)[NH2+]CCC(=O)N[C@H](C)CCCC[NH3+] ZINC000583439987 344966831 /nfs/dbraw/zinc/96/68/31/344966831.db2.gz FEWGHILQRVAAIF-LLVKDONJSA-N 2 0 229.368 1.008 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CCN1CCOC[C@@H]1C1CC1 ZINC000154374239 345031430 /nfs/dbraw/zinc/03/14/30/345031430.db2.gz LVOPHOAITFOBBI-ZIAGYGMSSA-N 2 0 238.375 1.582 20 0 BDADRP CO[C@@H](C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)C(C)(C)C ZINC000154938447 345058248 /nfs/dbraw/zinc/05/82/48/345058248.db2.gz PLKFJIIBWCYJEB-AGIUHOORSA-N 2 0 242.407 1.977 20 0 BDADRP Cc1nc(C)c(C[NH2+]CCCn2ccnc2C)o1 ZINC000628205406 345119107 /nfs/dbraw/zinc/11/91/07/345119107.db2.gz NOIPWELJCXZNBN-UHFFFAOYSA-N 2 0 248.330 1.976 20 0 BDADRP CCCN(CC12CC(C1)C[NH2+]2)C1CC[NH2+]CC1 ZINC000634991004 345174216 /nfs/dbraw/zinc/17/42/16/345174216.db2.gz LHTYYOQCZOLSOJ-UHFFFAOYSA-N 2 0 237.391 1.202 20 0 BDADRP CC(C)[C@H](C[NH3+])CNCC1([NH3+])CCCCC1 ZINC000634994515 345181502 /nfs/dbraw/zinc/18/15/02/345181502.db2.gz GJAYRVLCLCTLKV-GFCCVEGCSA-N 2 0 227.396 1.469 20 0 BDADRP CC(C)[C@@H](C[NH3+])C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000634995079 345183906 /nfs/dbraw/zinc/18/39/06/345183906.db2.gz UNCQMEKSTMJIAW-UONOGXRCSA-N 3 0 239.407 1.293 20 0 BDADRP C([NH2+][C@H]1CCC[C@H]2OCC[C@@H]21)C12CC(C1)C[NH2+]2 ZINC000634995512 345184996 /nfs/dbraw/zinc/18/49/96/345184996.db2.gz HDHBMELYFBHVOD-ANNIKCPVSA-N 2 0 236.359 1.286 20 0 BDADRP CC(C)[C@H](C[NH3+])C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000634995507 345185029 /nfs/dbraw/zinc/18/50/29/345185029.db2.gz HBLVSMJYWKPWDD-CHWSQXEVSA-N 3 0 227.396 1.339 20 0 BDADRP C(N1CCCC[C@H]1[C@H]1CC[NH2+]C1)C12CC(C1)C[NH2+]2 ZINC000634995946 345185702 /nfs/dbraw/zinc/18/57/02/345185702.db2.gz UUNYWYZXBQEXBJ-GQKFXUNGSA-N 2 0 249.402 1.202 20 0 BDADRP C[C@H](O)CC[N@H+](C)CCC1CC[NH2+]CC1 ZINC000156409790 345159016 /nfs/dbraw/zinc/15/90/16/345159016.db2.gz BBQUGFNZTFFXDB-NSHDSACASA-N 2 0 214.353 1.079 20 0 BDADRP CC(C)[C@H](C[NH3+])CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000634993710 345192056 /nfs/dbraw/zinc/19/20/56/345192056.db2.gz CPDKWXZNZBXKSQ-UPJWGTAASA-N 2 0 225.380 1.044 20 0 BDADRP CC(C)[C@@H]1CN(CC23CC(C2)C[NH2+]3)CC[N@@H+]1C ZINC000634993661 345192133 /nfs/dbraw/zinc/19/21/33/345192133.db2.gz BDTSASGFHYEJKO-MOKVOYLWSA-N 2 0 237.391 1.010 20 0 BDADRP CC(C)[C@@H](C[NH3+])CN1CC[NH2+][C@@H](C(C)C)C1 ZINC000634994066 345192377 /nfs/dbraw/zinc/19/23/77/345192377.db2.gz PLMQWOFRIIZKPF-QWHCGFSZSA-N 2 0 227.396 1.147 20 0 BDADRP C[C@@]1(CN2CCCCC[C@@H]([NH3+])C2)CC[NH2+]C1 ZINC000634997805 345196552 /nfs/dbraw/zinc/19/65/52/345196552.db2.gz SZFXNGSFGKKBPB-CHWSQXEVSA-N 2 0 225.380 1.189 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CCSC2)C[C@H]1C[NH3+] ZINC000634998600 345198085 /nfs/dbraw/zinc/19/80/85/345198085.db2.gz IFVKXWFXJCPTSG-GMTAPVOTSA-N 2 0 214.378 1.266 20 0 BDADRP C([NH2+][C@]12C[C@H]1CCCC2)C1CC[NH2+]CC1 ZINC000635001433 345201260 /nfs/dbraw/zinc/20/12/60/345201260.db2.gz SBZDSSOYNMXKHG-CHWSQXEVSA-N 2 0 208.349 1.908 20 0 BDADRP C[C@@H](N[C@H]1CC[NH2+]CC(C)(C)C1)[C@H]1CCC[NH2+]1 ZINC000635003623 345206420 /nfs/dbraw/zinc/20/64/20/345206420.db2.gz AMFWASZVKJKUDU-FRRDWIJNSA-N 2 0 239.407 1.495 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000635003696 345206872 /nfs/dbraw/zinc/20/68/72/345206872.db2.gz KJSNZCBWCIZNFW-OUAUKWLOSA-N 2 0 200.326 1.007 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000635003900 345207019 /nfs/dbraw/zinc/20/70/19/345207019.db2.gz MJCMEXPPNSQOHM-QJPTWQEYSA-N 2 0 214.353 1.397 20 0 BDADRP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CCO1 ZINC000635003822 345207135 /nfs/dbraw/zinc/20/71/35/345207135.db2.gz FMRDPCDNPLLNJT-ZDEQEGDKSA-N 2 0 226.364 1.661 20 0 BDADRP [NH3+][C@H](CCN[C@H]1CCC[C@@H]1[NH3+])Cc1ccccc1 ZINC000635004889 345208731 /nfs/dbraw/zinc/20/87/31/345208731.db2.gz GCZXRGHJNSRFTR-ILXRZTDVSA-N 2 0 247.386 1.416 20 0 BDADRP CCC[C@H](CCO)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000635005299 345209044 /nfs/dbraw/zinc/20/90/44/345209044.db2.gz UEUTUHJWMOBVIX-UTUOFQBUSA-N 2 0 214.353 1.268 20 0 BDADRP C[C@@H]1CCNC[C@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635005094 345209091 /nfs/dbraw/zinc/20/90/91/345209091.db2.gz MBSJGRGYVAYKSC-FDYHWXHSSA-N 2 0 225.380 1.092 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CCCOC1 ZINC000635005377 345209196 /nfs/dbraw/zinc/20/91/96/345209196.db2.gz MRHVPRYWTLEVHJ-AAVRWANBSA-N 2 0 240.391 1.909 20 0 BDADRP Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635005772 345209609 /nfs/dbraw/zinc/20/96/09/345209609.db2.gz KHGFZKBPTMOFJZ-DLOVCJGASA-N 2 0 236.363 1.886 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635007095 345211069 /nfs/dbraw/zinc/21/10/69/345211069.db2.gz ABHBAEYTAPHYHD-IJLUTSLNSA-N 2 0 228.380 1.778 20 0 BDADRP CC1(C)C[NH2+]CC[C@H](N[C@H]2CCC[C@H]2[NH3+])C1 ZINC000635006856 345211091 /nfs/dbraw/zinc/21/10/91/345211091.db2.gz ODHLFUJAXVSAPB-TUAOUCFPSA-N 2 0 225.380 1.234 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635007127 345211578 /nfs/dbraw/zinc/21/15/78/345211578.db2.gz ADTYDHRGEOJVPH-AGIUHOORSA-N 2 0 239.407 1.304 20 0 BDADRP Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])o1 ZINC000635009465 345211925 /nfs/dbraw/zinc/21/19/25/345211925.db2.gz NKDJYUKVMQSPGC-KGYLQXTDSA-N 2 0 238.331 1.430 20 0 BDADRP CO[C@@H](C)[C@H](C)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635011576 345213334 /nfs/dbraw/zinc/21/33/34/345213334.db2.gz QYAWZNZQVSRQAR-RYUDHWBXSA-N 2 0 248.370 1.845 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635011577 345213748 /nfs/dbraw/zinc/21/37/48/345213748.db2.gz QYAWZNZQVSRQAR-VXGBXAGGSA-N 2 0 248.370 1.845 20 0 BDADRP CO[C@@H](C)[C@@H](C)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635011574 345213977 /nfs/dbraw/zinc/21/39/77/345213977.db2.gz QYAWZNZQVSRQAR-NEPJUHHUSA-N 2 0 248.370 1.845 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CCO1 ZINC000635012157 345214275 /nfs/dbraw/zinc/21/42/75/345214275.db2.gz REYHKMDFHOAOFN-UPJWGTAASA-N 2 0 240.391 1.922 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@@H](C[NH3+])CC1 ZINC000635007841 345214899 /nfs/dbraw/zinc/21/48/99/345214899.db2.gz XYHMLTLJQPHBRA-ZDEQEGDKSA-N 3 0 225.380 1.221 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CCC[NH2+]1 ZINC000635008055 345216293 /nfs/dbraw/zinc/21/62/93/345216293.db2.gz YPUBBINCOJAVOA-CYDGBPFRSA-N 2 0 225.380 1.234 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCCCO1)C1CC[NH+](C)CC1 ZINC000042814985 537893082 /nfs/dbraw/zinc/89/30/82/537893082.db2.gz PZPBIHXQCJXGHL-JSGCOSHPSA-N 2 0 240.391 1.875 20 0 BDADRP CN(Cc1nc(C(C)(C)[NH3+])no1)C1CCC1 ZINC000158588476 345352628 /nfs/dbraw/zinc/35/26/28/345352628.db2.gz SHSZFRQMWIKCNT-UHFFFAOYSA-N 2 0 224.308 1.248 20 0 BDADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC1CCOCC1 ZINC000133296755 345369215 /nfs/dbraw/zinc/36/92/15/345369215.db2.gz VVQMBDPFTYDTTQ-ZDUSSCGKSA-N 2 0 228.380 1.718 20 0 BDADRP COCCCN1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000134752637 345420918 /nfs/dbraw/zinc/42/09/18/345420918.db2.gz RNARSNWWBCLOLS-CYBMUJFWSA-N 2 0 240.391 1.972 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000626140056 345635153 /nfs/dbraw/zinc/63/51/53/345635153.db2.gz LUIKAXNLPMSKQV-REWJHTLYSA-N 2 0 238.375 1.316 20 0 BDADRP COc1ccccc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000563135444 323094590 /nfs/dbraw/zinc/09/45/90/323094590.db2.gz MFKTTXBXPCKERG-QWRGUYRKSA-N 2 0 222.332 1.911 20 0 BDADRP COC[C@H]([NH2+]CCC[NH3+])c1cccc(Cl)c1 ZINC000149602800 345716918 /nfs/dbraw/zinc/71/69/18/345716918.db2.gz YTLWXNDPTCOTTQ-LBPRGKRZSA-N 2 0 242.750 1.966 20 0 BDADRP CO[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH3+] ZINC000168156391 345811229 /nfs/dbraw/zinc/81/12/29/345811229.db2.gz BNRNKZZNINUCEE-CHWSQXEVSA-N 2 0 220.316 1.235 20 0 BDADRP Cc1nccc(NC[C@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000054936085 345785421 /nfs/dbraw/zinc/78/54/21/345785421.db2.gz VZNPKOOAYPXYRL-GFCCVEGCSA-N 2 0 234.347 1.927 20 0 BDADRP COC(=O)[C@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000141313436 345841733 /nfs/dbraw/zinc/84/17/33/345841733.db2.gz KBJSCEJLQUGMHA-GFCCVEGCSA-N 2 0 240.347 1.014 20 0 BDADRP Cc1c[nH+]ccc1NCCCC[NH+]1CCOCC1 ZINC000191979050 346079138 /nfs/dbraw/zinc/07/91/38/346079138.db2.gz MSAOEHDJADHIQU-UHFFFAOYSA-N 2 0 249.358 1.914 20 0 BDADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)C[C@@H]1CC[C@@H](C)O1 ZINC000149793795 346157057 /nfs/dbraw/zinc/15/70/57/346157057.db2.gz QHFGHUGEYDOZRJ-AGIUHOORSA-N 2 0 228.380 1.859 20 0 BDADRP CCN(CCO)CC[NH2+]C[C@@]1(C)CCCS1 ZINC000628240226 346202722 /nfs/dbraw/zinc/20/27/22/346202722.db2.gz VPXDMTJTIFILLD-GFCCVEGCSA-N 2 0 246.420 1.176 20 0 BDADRP CC[N@@H+]1CCN(Cc2nc(C)c(C)[nH]2)[C@H](C)C1 ZINC000628272486 346281088 /nfs/dbraw/zinc/28/10/88/346281088.db2.gz PQHCBSUEVLYBGA-SNVBAGLBSA-N 2 0 236.363 1.553 20 0 BDADRP CC(C)OC(=O)CC[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000603432998 349953817 /nfs/dbraw/zinc/95/38/17/349953817.db2.gz LTUMDQMXBCAICY-ZJUUUORDSA-N 2 0 228.336 1.044 20 0 BDADRP CC[NH+](CC)CCOCC[NH2+]CC(C)C ZINC000052671695 346361989 /nfs/dbraw/zinc/36/19/89/346361989.db2.gz LORQWNKMXBMYEW-UHFFFAOYSA-N 2 0 216.369 1.590 20 0 BDADRP Cn1cncc1CC[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000641796014 362736687 /nfs/dbraw/zinc/73/66/87/362736687.db2.gz CWOPPDVCLTWNIZ-UHFFFAOYSA-N 2 0 248.374 1.179 20 0 BDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCc1cncn1C ZINC000641795941 362736712 /nfs/dbraw/zinc/73/67/12/362736712.db2.gz BQIXDNZDUGGTQV-CYBMUJFWSA-N 2 0 238.379 1.268 20 0 BDADRP CCc1cc(N(C)[C@@H](C[NH3+])C2CC2)nc(C)n1 ZINC000160251841 346445772 /nfs/dbraw/zinc/44/57/72/346445772.db2.gz HGJBTPZMPWMHNM-LBPRGKRZSA-N 2 0 234.347 1.521 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](CCc2cncn2C)CC1 ZINC000641795931 362737250 /nfs/dbraw/zinc/73/72/50/362737250.db2.gz BPFVCISHHSGMMP-LLVKDONJSA-N 2 0 236.363 1.022 20 0 BDADRP Cc1cccc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)n1 ZINC000336541721 179083009 /nfs/dbraw/zinc/08/30/09/179083009.db2.gz JPWDHTNEYQFDNM-HNNXBMFYSA-N 2 0 245.370 1.918 20 0 BDADRP c1n[nH]cc1CC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000641798588 362744480 /nfs/dbraw/zinc/74/44/80/362744480.db2.gz JXHRPMVJFAUMLK-KGLIPLIRSA-N 2 0 248.374 1.274 20 0 BDADRP C[C@@H]1CC[C@@H](CN)[N@H+](CC2CC[NH2+]CC2)[C@@H]1C ZINC000641805624 362762435 /nfs/dbraw/zinc/76/24/35/362762435.db2.gz FWSRSSLFMQDKSM-BZPMIXESSA-N 2 0 239.407 1.434 20 0 BDADRP CCCCOCC[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000053034276 346509632 /nfs/dbraw/zinc/50/96/32/346509632.db2.gz HYFCTQWNMWLAGB-GFCCVEGCSA-N 2 0 214.353 1.344 20 0 BDADRP CC1([NH3+])CCN(Cc2ccns2)CC1 ZINC000641800458 362751599 /nfs/dbraw/zinc/75/15/99/362751599.db2.gz ZZVPNWRTMWAXTD-UHFFFAOYSA-N 2 0 211.334 1.456 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCO[C@@H]1CC1(F)F ZINC000641800728 362753107 /nfs/dbraw/zinc/75/31/07/362753107.db2.gz DRYMJTKGJHAKMM-IWSPIJDZSA-N 2 0 234.290 1.126 20 0 BDADRP C[C@@H]1C[NH+](C[C@]2(C)CC[NH2+]C2)C[C@@H](C)S1 ZINC000069910093 349968681 /nfs/dbraw/zinc/96/86/81/349968681.db2.gz UMEAXVMVDWXSRF-IJLUTSLNSA-N 2 0 228.405 1.812 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1cccc(N)c1 ZINC000641802783 362760310 /nfs/dbraw/zinc/76/03/10/362760310.db2.gz OUGRQEDZDLZSBN-VXGBXAGGSA-N 2 0 219.332 1.484 20 0 BDADRP COCCCC[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000158523016 346535187 /nfs/dbraw/zinc/53/51/87/346535187.db2.gz FYFNDIISHNPASG-RYUDHWBXSA-N 2 0 214.353 1.472 20 0 BDADRP COC[C@@H](C)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000187285824 346565154 /nfs/dbraw/zinc/56/51/54/346565154.db2.gz JFGGHWWMLBSGSR-NWDGAFQWSA-N 2 0 214.353 1.152 20 0 BDADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](C)COC)C1 ZINC000187373817 346571568 /nfs/dbraw/zinc/57/15/68/346571568.db2.gz TWPHLSBZCGCAJW-KGLIPLIRSA-N 2 0 242.407 1.933 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000300399078 346613371 /nfs/dbraw/zinc/61/33/71/346613371.db2.gz YWENNPNZTZGLSX-SDDRHHMPSA-N 2 0 214.353 1.255 20 0 BDADRP C[N@@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCSC2)C1 ZINC000624119507 346650877 /nfs/dbraw/zinc/65/08/77/346650877.db2.gz DGBPMEPGIJMCHB-NWDGAFQWSA-N 2 0 228.405 1.813 20 0 BDADRP c1cn(CC[NH2+]Cc2[nH]nc3ccccc32)cn1 ZINC000589634781 346720236 /nfs/dbraw/zinc/72/02/36/346720236.db2.gz FHOXNUSXJINHKE-UHFFFAOYSA-N 2 0 241.298 1.549 20 0 BDADRP C[N@@H+]1CCC[C@@H](CC[NH2+]CC2(O)CCCC2)C1 ZINC000577172234 365854545 /nfs/dbraw/zinc/85/45/45/365854545.db2.gz MRJWIJGTMPUYKG-ZDUSSCGKSA-N 2 0 240.391 1.613 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCCc2ccccn2)C1 ZINC000577191573 365870362 /nfs/dbraw/zinc/87/03/62/365870362.db2.gz PHRLLIJWKXSROF-JSGCOSHPSA-N 2 0 233.359 1.874 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccc2c[nH]nc21 ZINC000580326335 347131571 /nfs/dbraw/zinc/13/15/71/347131571.db2.gz OJPBKWLOLSPTJG-VHSXEESVSA-N 2 0 232.331 1.778 20 0 BDADRP CCSCCN1CCCCC[C@H]([NH3+])C1 ZINC000601323507 347203447 /nfs/dbraw/zinc/20/34/47/347203447.db2.gz BAFPFIVDANXAFG-NSHDSACASA-N 2 0 216.394 1.943 20 0 BDADRP COC(=O)CCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601334124 347226258 /nfs/dbraw/zinc/22/62/58/347226258.db2.gz IRQAYZHJKYWRBA-RYUDHWBXSA-N 2 0 240.347 1.014 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCC2(CO)CC2)CC[N@@H+]1C ZINC000395835958 362800107 /nfs/dbraw/zinc/80/01/07/362800107.db2.gz KJXBXTWGJTWWGZ-NEPJUHHUSA-N 2 0 226.364 1.221 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCC2(CO)CC2)CC[N@@H+]1C ZINC000395835960 362799432 /nfs/dbraw/zinc/79/94/32/362799432.db2.gz KJXBXTWGJTWWGZ-RYUDHWBXSA-N 2 0 226.364 1.221 20 0 BDADRP CCN1CCC[C@H]([NH2+][C@@H]2CS[C@H](C)C2)C1 ZINC000250358939 362800502 /nfs/dbraw/zinc/80/05/02/362800502.db2.gz STIVIYYIKXZLID-WOPDTQHZSA-N 2 0 228.405 1.954 20 0 BDADRP CCOCCCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000388357846 347354446 /nfs/dbraw/zinc/35/44/46/347354446.db2.gz JWKSNYBVSCBHRQ-NEPJUHHUSA-N 2 0 214.353 1.520 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@H](OC)C1CC1 ZINC000388304943 347303686 /nfs/dbraw/zinc/30/36/86/347303686.db2.gz PFFCBXWRFYVYME-DRZSPHRISA-N 2 0 244.379 1.143 20 0 BDADRP C(C[NH2+][C@@H]1CCSC1)C[NH+]1CCCC1 ZINC000020128941 347409152 /nfs/dbraw/zinc/40/91/52/347409152.db2.gz NQLDTFLDUZQIPB-LLVKDONJSA-N 2 0 214.378 1.567 20 0 BDADRP CCOCCCC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000388383153 347375927 /nfs/dbraw/zinc/37/59/27/347375927.db2.gz VBDOMIMWZLQKFZ-CHWSQXEVSA-N 2 0 228.380 1.923 20 0 BDADRP Cc1c[nH+]ccc1N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000192577341 347378140 /nfs/dbraw/zinc/37/81/40/347378140.db2.gz VAJOPNXPFXZRJP-CYBMUJFWSA-N 2 0 248.374 1.438 20 0 BDADRP Cc1cccn2c(C[NH2+]CCCCCO)cnc12 ZINC000192908640 365879268 /nfs/dbraw/zinc/87/92/68/365879268.db2.gz LMTXGXAHJDWDJN-UHFFFAOYSA-N 2 0 247.342 1.895 20 0 BDADRP C[C@@H]1CC[C@@H](C[N@@H+]2CCCC[C@@H]2CC[NH3+])O1 ZINC000149763563 347514233 /nfs/dbraw/zinc/51/42/33/347514233.db2.gz CUSAWALKDKAXSJ-UPJWGTAASA-N 2 0 226.364 1.757 20 0 BDADRP C[C@H](O)C[C@H]1CCC[N@@H+]1CCn1ccnc1 ZINC000160353240 347564626 /nfs/dbraw/zinc/56/46/26/347564626.db2.gz ZXBXLPRMPPPLBN-NWDGAFQWSA-N 2 0 223.320 1.118 20 0 BDADRP CC[C@H]([NH2+]CCSC)[C@@H]1CCC[NH2+]1 ZINC000591567779 347670641 /nfs/dbraw/zinc/67/06/41/347670641.db2.gz CDWPQLPYVLQFIQ-UWVGGRQHSA-N 2 0 202.367 1.470 20 0 BDADRP C(SCC1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC000592175466 347759095 /nfs/dbraw/zinc/75/90/95/347759095.db2.gz YAJQUSCOGJWWTG-NSHDSACASA-N 2 0 214.378 1.329 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C[C@@H]1C ZINC000252981186 347832872 /nfs/dbraw/zinc/83/28/72/347832872.db2.gz QAZVJORZQAIJIY-AGIUHOORSA-N 2 0 210.365 1.964 20 0 BDADRP CC[C@H](C)[C@@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000319569894 259398461 /nfs/dbraw/zinc/39/84/61/259398461.db2.gz QSZAVRBNYPCTIU-QWHCGFSZSA-N 2 0 227.396 1.306 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@]1(C)CCCC[C@@H]1C ZINC000308710374 348101636 /nfs/dbraw/zinc/10/16/36/348101636.db2.gz NHRJWLLRJLWZEZ-BFHYXJOUSA-N 2 0 242.407 1.857 20 0 BDADRP Cc1cccnc1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000228158666 179375135 /nfs/dbraw/zinc/37/51/35/179375135.db2.gz YLUCQRRMZFQBLQ-RYUDHWBXSA-N 2 0 219.332 1.559 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CCCCO2)C[C@H]1C[NH3+] ZINC000397485092 362888243 /nfs/dbraw/zinc/88/82/43/362888243.db2.gz UAKKSWCDRUVUSO-RQJABVFESA-N 2 0 240.391 1.861 20 0 BDADRP C[C@H]1CC[C@@H](C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)O1 ZINC000251622221 362892145 /nfs/dbraw/zinc/89/21/45/362892145.db2.gz DLLWRGKRARTPHQ-MWWBDVBNSA-N 2 0 238.375 1.769 20 0 BDADRP CCC(CC)C[NH2+]CCCN1CC[NH2+]CC1 ZINC000205306093 348488335 /nfs/dbraw/zinc/48/83/35/348488335.db2.gz BIDIYYJWYOHKDF-UHFFFAOYSA-N 2 0 227.396 1.308 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H]2CCO[C@@H](C)C2)CC1 ZINC000070360469 349995772 /nfs/dbraw/zinc/99/57/72/349995772.db2.gz IZGAVFVLJZYVEZ-JSGCOSHPSA-N 2 0 240.391 1.875 20 0 BDADRP CCSC1(C[NH2+][C@H](C)C[C@H](C)[NH3+])CC1 ZINC000596650068 348604975 /nfs/dbraw/zinc/60/49/75/348604975.db2.gz FREXRGDBFVYQQB-VHSXEESVSA-N 2 0 216.394 1.988 20 0 BDADRP CSCC1(CC[NH2+][C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000596649194 348605145 /nfs/dbraw/zinc/60/51/45/348605145.db2.gz CHNZLHCMOLMUQJ-WDEREUQCSA-N 2 0 228.405 1.989 20 0 BDADRP CSCC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000596653049 348606717 /nfs/dbraw/zinc/60/67/17/348606717.db2.gz YZXRTFQVUOTSBZ-QJPTWQEYSA-N 2 0 244.404 1.096 20 0 BDADRP CC(C)C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000053066880 323196503 /nfs/dbraw/zinc/19/65/03/323196503.db2.gz ZQCWATGBNSRBFL-UHFFFAOYSA-N 2 0 239.407 1.356 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CCCCCO)CC1(C)C ZINC000623510407 362935601 /nfs/dbraw/zinc/93/56/01/362935601.db2.gz WJDOGIAXWJRPII-LBPRGKRZSA-N 2 0 228.380 1.611 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCCO1 ZINC000054240509 348960806 /nfs/dbraw/zinc/96/08/06/348960806.db2.gz QYZRBZHJMVXFMN-AVGNSLFASA-N 2 0 226.364 1.485 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCOC2)C1 ZINC000250636398 349177570 /nfs/dbraw/zinc/17/75/70/349177570.db2.gz FXCDOONSAHOQKH-IJLUTSLNSA-N 2 0 212.337 1.273 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[C@H]2O)C1 ZINC000250667881 349177798 /nfs/dbraw/zinc/17/77/98/349177798.db2.gz SPKZMMKVYCVGSZ-WHOHXGKFSA-N 2 0 212.337 1.007 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+]CCC2(O)CCC2)CC1(C)C ZINC000623517602 362941705 /nfs/dbraw/zinc/94/17/05/362941705.db2.gz LGKIWJHSMILKKH-GFCCVEGCSA-N 2 0 240.391 1.754 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2O)C1 ZINC000251330714 349186155 /nfs/dbraw/zinc/18/61/55/349186155.db2.gz PCVWNKIKOQTXKV-RHYQMDGZSA-N 2 0 212.337 1.149 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(C)(C)O ZINC000251046491 538032898 /nfs/dbraw/zinc/03/28/98/538032898.db2.gz MXMPHEBCPCSQRV-TUAOUCFPSA-N 2 0 226.364 1.362 20 0 BDADRP CCSCC[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000308937370 349169282 /nfs/dbraw/zinc/16/92/82/349169282.db2.gz TXCRQRWYLNRWCV-RYUDHWBXSA-N 2 0 228.405 1.800 20 0 BDADRP COC[C@@H](C)C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000253101087 349225591 /nfs/dbraw/zinc/22/55/91/349225591.db2.gz AKTLJMIKFZKEHB-RYUDHWBXSA-N 2 0 216.369 1.574 20 0 BDADRP CCN(C)C[C@H](O)C[N@H+](C)CC1CCCCC1 ZINC000383676523 349296038 /nfs/dbraw/zinc/29/60/38/349296038.db2.gz PMYAEIYDHKFTME-AWEZNQCLSA-N 2 0 242.407 1.811 20 0 BDADRP C[C@@H](CCO)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000122933598 490246501 /nfs/dbraw/zinc/24/65/01/490246501.db2.gz OUOIBHRIQFIPHZ-QWRGUYRKSA-N 2 0 214.353 1.077 20 0 BDADRP CC(C)Cn1cc(C[NH2+]C(C)(C)CC[NH3+])cn1 ZINC000422561578 192427541 /nfs/dbraw/zinc/42/75/41/192427541.db2.gz MEQKVTDHPCYNRK-UHFFFAOYSA-N 2 0 238.379 1.756 20 0 BDADRP CC[C@H](CO)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000219374931 350124335 /nfs/dbraw/zinc/12/43/35/350124335.db2.gz DTQVZKCLGPXXKM-WQAKAFBOSA-N 2 0 220.316 1.492 20 0 BDADRP CCN(CC)CC[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000132051249 191024367 /nfs/dbraw/zinc/02/43/67/191024367.db2.gz CDJYFKOJUORSLJ-RYUDHWBXSA-N 2 0 214.353 1.343 20 0 BDADRP CSCCC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000132499608 191032452 /nfs/dbraw/zinc/03/24/52/191032452.db2.gz BRSSLEOLPLRENC-MNOVXSKESA-N 2 0 216.394 1.669 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000133343439 191039250 /nfs/dbraw/zinc/03/92/50/191039250.db2.gz CUXSZLVWYWSAMC-BETUJISGSA-N 2 0 208.349 1.718 20 0 BDADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C[C@@H](C)CC ZINC000133581974 191041201 /nfs/dbraw/zinc/04/12/01/191041201.db2.gz KOZJCTDEXBAADN-QWHCGFSZSA-N 2 0 230.396 1.979 20 0 BDADRP CC(C)[NH+]1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000036190216 191052278 /nfs/dbraw/zinc/05/22/78/191052278.db2.gz SLHLAKJKPFXYCM-CYBMUJFWSA-N 2 0 225.380 1.012 20 0 BDADRP C[C@@H](O)[C@@H]1CC[N@H+](CCCc2cncn2C)C1 ZINC000315049216 350178482 /nfs/dbraw/zinc/17/84/82/350178482.db2.gz JCVOJFCKSPCCAO-VXGBXAGGSA-N 2 0 237.347 1.055 20 0 BDADRP C[C@H](O)[C@@H]1CC[N@H+](CCCc2cncn2C)C1 ZINC000315049211 350178493 /nfs/dbraw/zinc/17/84/93/350178493.db2.gz JCVOJFCKSPCCAO-NWDGAFQWSA-N 2 0 237.347 1.055 20 0 BDADRP Cc1ncsc1CCN1CCCC[C@@H]1C[NH3+] ZINC000050285436 180309118 /nfs/dbraw/zinc/30/91/18/180309118.db2.gz LQPHWKIVUQKZDG-LLVKDONJSA-N 2 0 239.388 1.807 20 0 BDADRP Cc1ncsc1CC[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000228202119 180309187 /nfs/dbraw/zinc/30/91/87/180309187.db2.gz PXALRNXZOUZEDC-GXSJLCMTSA-N 2 0 239.388 1.663 20 0 BDADRP Cc1ncsc1CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000278842109 180317902 /nfs/dbraw/zinc/31/79/02/180317902.db2.gz ZTUSPNRYYQUOOW-PHIMTYICSA-N 2 0 237.372 1.445 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+]CCC(C)(C)CO)CC1(C)C ZINC000623537048 362955360 /nfs/dbraw/zinc/95/53/60/362955360.db2.gz LKEVKJQWWAGVJL-GFCCVEGCSA-N 2 0 242.407 1.857 20 0 BDADRP C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)N1CC[NH2+]CC1 ZINC000162719658 350421246 /nfs/dbraw/zinc/42/12/46/350421246.db2.gz SECXCOMHQXJDNJ-KBPBESRZSA-N 2 0 237.391 1.156 20 0 BDADRP C[C@@]1(C[NH3+])CC[N@H+](C[C@H]2CCCCO2)C1 ZINC000300351762 490557821 /nfs/dbraw/zinc/55/78/21/490557821.db2.gz DIROSGDUAWTKKK-NEPJUHHUSA-N 2 0 212.337 1.226 20 0 BDADRP C(C[NH2+][C@@H]1CCCSC1)C[NH+]1CCCC1 ZINC000061571799 350518814 /nfs/dbraw/zinc/51/88/14/350518814.db2.gz NZVAHYDGYJNGHY-GFCCVEGCSA-N 2 0 228.405 1.958 20 0 BDADRP CC[C@@H]1CCC[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000219320830 490566249 /nfs/dbraw/zinc/56/62/49/490566249.db2.gz MLWVUWFUXFAWJL-CHWSQXEVSA-N 2 0 228.380 1.733 20 0 BDADRP CO[C@@H]([C@H](C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000388280015 362962481 /nfs/dbraw/zinc/96/24/81/362962481.db2.gz LQZGPQZSFZXNBV-RYDUCSDGSA-N 2 0 226.364 1.659 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000384791798 350529495 /nfs/dbraw/zinc/52/94/95/350529495.db2.gz RECUXFNXVLIYCM-GWOFURMSSA-N 2 0 200.326 1.269 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC([NH3+])(CC)CC ZINC000353166047 351347096 /nfs/dbraw/zinc/34/70/96/351347096.db2.gz IUNVELXCHSIGOT-MNOVXSKESA-N 2 0 241.379 1.008 20 0 BDADRP CC[NH+](CC)CCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000036907815 358464949 /nfs/dbraw/zinc/46/49/49/358464949.db2.gz VBIBSXCZFKRXFQ-BFHYXJOUSA-N 2 0 241.423 1.647 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3n[nH]cc3C2)C1 ZINC000577626403 366024161 /nfs/dbraw/zinc/02/41/61/366024161.db2.gz DQBFGEZWFSPDKF-UTUOFQBUSA-N 2 0 234.347 1.127 20 0 BDADRP C[NH+](C)CC1(C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000637802662 351637954 /nfs/dbraw/zinc/63/79/54/351637954.db2.gz YNKQCHOOXPLPTR-UHFFFAOYSA-N 2 0 247.342 1.426 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000637858366 351719344 /nfs/dbraw/zinc/71/93/44/351719344.db2.gz AIHIUMIDBABFHM-NSHDSACASA-N 2 0 241.379 1.104 20 0 BDADRP CC(C)CC[C@@H]([NH3+])C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000637852234 351711564 /nfs/dbraw/zinc/71/15/64/351711564.db2.gz VCRNKUYXUYXGGQ-YPMHNXCESA-N 2 0 243.395 1.240 20 0 BDADRP CC[C@@H](C(=O)N[C@@](C)(C[NH3+])CC(C)C)[NH+](C)C ZINC000637852666 351712605 /nfs/dbraw/zinc/71/26/05/351712605.db2.gz WSGATYSACRHUFF-WCQYABFASA-N 2 0 243.395 1.206 20 0 BDADRP C[NH+](C)CC1CC[NH+](Cc2ccns2)CC1 ZINC000637907189 351776921 /nfs/dbraw/zinc/77/69/21/351776921.db2.gz IEKJTVSCAYQOOS-UHFFFAOYSA-N 2 0 239.388 1.917 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+]Cc1cnc2cccc(C)n12 ZINC000414843534 351830184 /nfs/dbraw/zinc/83/01/84/351830184.db2.gz QDERMUMTHQFHSV-NSHDSACASA-N 2 0 246.358 1.588 20 0 BDADRP C[C@H]([NH2+]Cc1ccncc1)[C@H]1CCC[NH2+]C1 ZINC000414854627 351905383 /nfs/dbraw/zinc/90/53/83/351905383.db2.gz MBOMPZHBURXUPU-AAEUAGOBSA-N 2 0 219.332 1.559 20 0 BDADRP CC[NH2+]CCNCc1ccc(N(C)CC)nc1 ZINC000414854719 351906035 /nfs/dbraw/zinc/90/60/35/351906035.db2.gz ZWZXXSCTRZKGJS-UHFFFAOYSA-N 2 0 236.363 1.237 20 0 BDADRP C[NH2+]Cc1cccc(N[C@@H]2CC[NH2+]C2)c1 ZINC000414868064 351967804 /nfs/dbraw/zinc/96/78/04/351967804.db2.gz OOMJWINDRIHUKX-GFCCVEGCSA-N 2 0 205.305 1.180 20 0 BDADRP CC(C)C1(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000638186445 352050987 /nfs/dbraw/zinc/05/09/87/352050987.db2.gz UBRMQBKQWIFBMN-VXGBXAGGSA-N 2 0 208.349 1.574 20 0 BDADRP C(C1CCSCC1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000638186354 352051646 /nfs/dbraw/zinc/05/16/46/352051646.db2.gz RJWFVRKTRXBUIS-VXGBXAGGSA-N 2 0 226.389 1.281 20 0 BDADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000638208380 352070696 /nfs/dbraw/zinc/07/06/96/352070696.db2.gz FAQAEQIBPVETCB-WOPDTQHZSA-N 2 0 241.379 1.007 20 0 BDADRP CCN1CCC[C@@H]1C[NH2+]C[C@@](C)(OC)C1CC1 ZINC000638280839 352116919 /nfs/dbraw/zinc/11/69/19/352116919.db2.gz KVGZGGYFIRFUCI-ZIAGYGMSSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)[C@@H](C)[NH+](C)C)c1 ZINC000638364145 352177005 /nfs/dbraw/zinc/17/70/05/352177005.db2.gz COVUOOFCBZEGSX-SNVBAGLBSA-N 2 0 235.331 1.342 20 0 BDADRP CCCC[C@H](COC)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000414918320 352274042 /nfs/dbraw/zinc/27/40/42/352274042.db2.gz RZXKRAVUBFHETK-QWHCGFSZSA-N 2 0 228.380 1.923 20 0 BDADRP Cc1nn(C)cc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414980029 352417377 /nfs/dbraw/zinc/41/73/77/352417377.db2.gz WCYBXXJOISPAIU-ZDUSSCGKSA-N 2 0 236.363 1.350 20 0 BDADRP C[N@@H+]1CCC[C@@H](C[NH2+]CCC[C@H]2CCO2)C1 ZINC000638588779 352420133 /nfs/dbraw/zinc/42/01/33/352420133.db2.gz NNDMZKJBMHYNQB-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP C[C@H](Cc1cnccn1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000638589371 352420792 /nfs/dbraw/zinc/42/07/92/352420792.db2.gz TVOPCWFJASOHMK-CHWSQXEVSA-N 2 0 248.374 1.339 20 0 BDADRP CC[C@@H](COC)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415013926 352550488 /nfs/dbraw/zinc/55/04/88/352550488.db2.gz VYXMNWPKSMSGEE-RWMBFGLXSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)C1CCOCC1 ZINC000300362911 352560265 /nfs/dbraw/zinc/56/02/65/352560265.db2.gz GMEWRQMIGWQJDX-WCFLWFBJSA-N 2 0 226.364 1.661 20 0 BDADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H](C)C[NH3+] ZINC000044798948 352657141 /nfs/dbraw/zinc/65/71/41/352657141.db2.gz IEUYQRWLEYNNQC-NEPJUHHUSA-N 2 0 243.395 1.208 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000334227223 352766986 /nfs/dbraw/zinc/76/69/86/352766986.db2.gz GBDBSUIZKSTPAH-KGLIPLIRSA-N 3 0 237.391 1.062 20 0 BDADRP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@@H]3CCCO3)C2)C1 ZINC000334235413 352852647 /nfs/dbraw/zinc/85/26/47/352852647.db2.gz HAPWMTWYMUHVIK-UONOGXRCSA-N 2 0 238.375 1.583 20 0 BDADRP CC(C)[NH+](CCN[C@@H]1C[N@H+](C)C[C@H]1C)C(C)C ZINC000342852770 352875312 /nfs/dbraw/zinc/87/53/12/352875312.db2.gz RTHXDQYYVXHYCO-ZIAGYGMSSA-N 2 0 241.423 1.645 20 0 BDADRP CCC[N@H+](C)CC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638819548 352999720 /nfs/dbraw/zinc/99/97/20/352999720.db2.gz KKGHPMIUOPFLDN-LBPRGKRZSA-N 2 0 241.379 1.058 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638821914 353002845 /nfs/dbraw/zinc/00/28/45/353002845.db2.gz DDNXXAHVOQFWLX-YPMHNXCESA-N 2 0 241.379 1.234 20 0 BDADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ncc[nH]1 ZINC000428213129 538107613 /nfs/dbraw/zinc/10/76/13/538107613.db2.gz QLNXVSNBQKHTQI-NSHDSACASA-N 2 0 236.363 1.792 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cncs2)CC1 ZINC000166659670 133956115 /nfs/dbraw/zinc/95/61/15/133956115.db2.gz AAMRTYJAIAWMGZ-SECBINFHSA-N 2 0 225.361 1.702 20 0 BDADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@H]1CCC[NH2+]C1 ZINC000251869572 353293419 /nfs/dbraw/zinc/29/34/19/353293419.db2.gz TXVRMESRJJXZSI-RDBSUJKOSA-N 2 0 237.391 1.155 20 0 BDADRP Cc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)s1 ZINC000085282166 538116098 /nfs/dbraw/zinc/11/60/98/538116098.db2.gz URKBYDKATQDOLM-QWRGUYRKSA-N 2 0 222.357 1.708 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)C1 ZINC000226542786 538116746 /nfs/dbraw/zinc/11/67/46/538116746.db2.gz AAYGXWIXAMYANO-YNEHKIRRSA-N 2 0 228.380 1.874 20 0 BDADRP CC[NH+](CC)CCCCNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000192096732 353542037 /nfs/dbraw/zinc/54/20/37/353542037.db2.gz QOJVSDNWNITTEI-NWDGAFQWSA-N 2 0 243.395 1.208 20 0 BDADRP CC[NH+]1CCC(N(C)C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000062911992 353574364 /nfs/dbraw/zinc/57/43/64/353574364.db2.gz ITHIJOSEVNXXHH-AWEZNQCLSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@@H]1[N@H+](CCCn2ccnc2)CCOC1(C)C ZINC000343324304 353705277 /nfs/dbraw/zinc/70/52/77/353705277.db2.gz WUBRCMUYZKYOQS-LBPRGKRZSA-N 2 0 237.347 1.773 20 0 BDADRP C[C@H]([NH3+])[C@H](C)NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000563874990 353725594 /nfs/dbraw/zinc/72/55/94/353725594.db2.gz BWBWVKUICZYJFQ-GMXVVIOVSA-N 2 0 249.358 1.319 20 0 BDADRP CCOC(=O)CN(C[C@@H]1CCC[NH2+]C1)C(C)C ZINC000220366508 353837211 /nfs/dbraw/zinc/83/72/11/353837211.db2.gz JVBSEDOMNZQBJQ-GFCCVEGCSA-N 2 0 242.363 1.260 20 0 BDADRP CC[NH+]1C[C@@H](C)[C@H](NC[C@H]2CC[N@@H+](CC)C2)C1 ZINC000343557949 353920903 /nfs/dbraw/zinc/92/09/03/353920903.db2.gz GOHAHIVIBIXIQJ-MGPQQGTHSA-N 2 0 239.407 1.258 20 0 BDADRP CCC[N@@H+]1CCC[C@@H]1CNc1ccnc(C)n1 ZINC000343931393 354045905 /nfs/dbraw/zinc/04/59/05/354045905.db2.gz BLNLOVZNDOXALY-GFCCVEGCSA-N 2 0 234.347 1.493 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@H]1C[NH+](CC)C[C@H]1C ZINC000344068298 354131735 /nfs/dbraw/zinc/13/17/35/354131735.db2.gz VGXPXKODCKVSGM-RDBSUJKOSA-N 2 0 241.423 1.647 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000449681174 202000480 /nfs/dbraw/zinc/00/04/80/202000480.db2.gz IGLJXHSZRMOYGW-NEPJUHHUSA-N 2 0 241.379 1.023 20 0 BDADRP COCC(C)(C)NCC[NH2+]C(C)(C)C ZINC000230976233 363332094 /nfs/dbraw/zinc/33/20/94/363332094.db2.gz XXIBVGYPTBISNH-UHFFFAOYSA-N 2 0 202.342 1.389 20 0 BDADRP CCN1C[C@H](C)[C@H]([NH2+]C[C@@H](C)N(C)C2CC2)C1 ZINC000344221562 354181913 /nfs/dbraw/zinc/18/19/13/354181913.db2.gz MTMCXZPOIDNAAN-OUCADQQQSA-N 2 0 239.407 1.399 20 0 BDADRP CCOCCC[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231670580 363347367 /nfs/dbraw/zinc/34/73/67/363347367.db2.gz JCPOHFDDXMPZPX-LBPRGKRZSA-N 2 0 214.353 1.487 20 0 BDADRP CCOCCC[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231670575 363347585 /nfs/dbraw/zinc/34/75/85/363347585.db2.gz JCPOHFDDXMPZPX-GFCCVEGCSA-N 2 0 214.353 1.487 20 0 BDADRP C[NH+](C)CCOCC[NH2+]C1CCSCC1 ZINC000231676645 363347640 /nfs/dbraw/zinc/34/76/40/363347640.db2.gz QVMAUHDRGATBAO-UHFFFAOYSA-N 2 0 232.393 1.050 20 0 BDADRP CCN1C[C@H](C)[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)C1 ZINC000344439120 354273564 /nfs/dbraw/zinc/27/35/64/354273564.db2.gz LAQQRFXBLLFFNY-FQUUOJAGSA-N 2 0 240.391 1.467 20 0 BDADRP CC[C@@H](C(=O)NC[C@H](C)[NH+](C)C)[NH+](CC)CC ZINC000344651841 354337789 /nfs/dbraw/zinc/33/77/89/354337789.db2.gz GKYTXSUSSFBRRG-RYUDHWBXSA-N 2 0 243.395 1.173 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H](C)[C@H](C)[NH3+])cc1 ZINC000578005661 366174547 /nfs/dbraw/zinc/17/45/47/366174547.db2.gz FGZKQYBEBMBHBP-GUBZILKMSA-N 2 0 235.331 1.628 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)C[NH2+]C2CC2)cc1 ZINC000178907948 366180303 /nfs/dbraw/zinc/18/03/03/366180303.db2.gz FHMUJISGNHYLIA-VIFPVBQESA-N 2 0 233.315 1.397 20 0 BDADRP C[C@@H]1C[C@H](C)C[N@H+]1CCc1cncn1C ZINC000334706746 354499973 /nfs/dbraw/zinc/49/99/73/354499973.db2.gz WRTVDICRXKESCU-WDEREUQCSA-N 2 0 207.321 1.693 20 0 BDADRP C[C@H]1C[C@H](C)[N@H+](CCc2cncn2C)C1 ZINC000334706745 354500079 /nfs/dbraw/zinc/50/00/79/354500079.db2.gz WRTVDICRXKESCU-QWRGUYRKSA-N 2 0 207.321 1.693 20 0 BDADRP C[C@H]([NH2+]CC1(C)COC1)C1CC[NH+](C)CC1 ZINC000087197256 491066715 /nfs/dbraw/zinc/06/67/15/491066715.db2.gz CQEOCIYFTKJORI-NSHDSACASA-N 2 0 226.364 1.343 20 0 BDADRP CCCCO[C@H]1C[C@@H](N(C)CC[NH3+])C1(C)C ZINC000345542004 354677298 /nfs/dbraw/zinc/67/72/98/354677298.db2.gz RXGYIEXKFJORBH-NEPJUHHUSA-N 2 0 228.380 1.861 20 0 BDADRP CCCCO[C@@H]1C[C@H](N(C)CC[NH3+])C1(C)C ZINC000345542005 354677439 /nfs/dbraw/zinc/67/74/39/354677439.db2.gz RXGYIEXKFJORBH-NWDGAFQWSA-N 2 0 228.380 1.861 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CC1(C)C ZINC000234724390 363428757 /nfs/dbraw/zinc/42/87/57/363428757.db2.gz HZTQLRHXMYWUFV-WDEREUQCSA-N 2 0 214.353 1.376 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CC1(C)C ZINC000234753434 363429048 /nfs/dbraw/zinc/42/90/48/363429048.db2.gz UHPNCAGOCXJCAA-ZJUUUORDSA-N 2 0 200.326 1.128 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccsc1 ZINC000234796523 363431718 /nfs/dbraw/zinc/43/17/18/363431718.db2.gz JRLCETVQLSEWLR-NSHDSACASA-N 2 0 228.361 1.592 20 0 BDADRP CN1CC[C@](O)(C[NH2+][C@H]2CCCC23CCC3)C1 ZINC000335168626 354930143 /nfs/dbraw/zinc/93/01/43/354930143.db2.gz GJKQMTONEQTWQA-JSGCOSHPSA-N 2 0 238.375 1.365 20 0 BDADRP C[C@H]1[C@@H](CO)CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000335173350 354939839 /nfs/dbraw/zinc/93/98/39/354939839.db2.gz NEDRUEFXJPYXRZ-WCQYABFASA-N 2 0 226.364 1.079 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC2CC[NH2+]CC2)cc1 ZINC000335174721 354941777 /nfs/dbraw/zinc/94/17/77/354941777.db2.gz CAEXAQGPLGPALX-SNVBAGLBSA-N 2 0 219.332 1.870 20 0 BDADRP Cc1cnc(CN(C)CC[C@H]([NH3+])C(C)C)cn1 ZINC000346686582 355012701 /nfs/dbraw/zinc/01/27/01/355012701.db2.gz RKGLFGXZBNRRKN-ZDUSSCGKSA-N 2 0 236.363 1.590 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc3c2OCO3)C1 ZINC000346633550 355014742 /nfs/dbraw/zinc/01/47/42/355014742.db2.gz FMJFVAYXTNKPBS-GHMZBOCLSA-N 2 0 248.326 1.584 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+](C[C@@H]3CCSC3)C2)C1 ZINC000335228630 355070838 /nfs/dbraw/zinc/07/08/38/355070838.db2.gz NVTQVRYIHWWMKJ-STQMWFEESA-N 2 0 240.416 1.767 20 0 BDADRP CC[NH+]1CCC(N[C@H]2CCC[N@H+](C)[C@@H]2C)CC1 ZINC000346786429 355116419 /nfs/dbraw/zinc/11/64/19/355116419.db2.gz DZPDGHPZAFPQCG-OCCSQVGLSA-N 2 0 239.407 1.543 20 0 BDADRP CCCCC[N@H+](CCO)C[C@H]1CCC[NH2+]C1 ZINC000346848986 355137767 /nfs/dbraw/zinc/13/77/67/355137767.db2.gz GBQHZTHWUJQTDK-ZDUSSCGKSA-N 2 0 228.380 1.471 20 0 BDADRP COC(=O)C[C@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000346964734 355172247 /nfs/dbraw/zinc/17/22/47/355172247.db2.gz BVAOPRFLJZXPLH-GFCCVEGCSA-N 2 0 240.347 1.014 20 0 BDADRP C[C@H](CC[NH+](C)C)Nc1cc(NC2CC2)ncn1 ZINC000413092920 191355335 /nfs/dbraw/zinc/35/53/35/191355335.db2.gz HNNVDXDHEDOHBF-SNVBAGLBSA-N 2 0 249.362 1.803 20 0 BDADRP CC[C@@H](C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)OC ZINC000412974448 191344415 /nfs/dbraw/zinc/34/44/15/191344415.db2.gz AMZVDUCUIUZAST-PIGZVRMJSA-N 2 0 240.391 1.968 20 0 BDADRP CC[C@@H](C[NH+]1CCC(C[NH+](C)C)CC1)OC ZINC000412974421 191344541 /nfs/dbraw/zinc/34/45/41/191344541.db2.gz AGUJTZULBLVHJN-ZDUSSCGKSA-N 2 0 228.380 1.685 20 0 BDADRP CC[C@@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)OC ZINC000412979007 191349289 /nfs/dbraw/zinc/34/92/89/191349289.db2.gz RQWOEEVTSFSGCO-KBPBESRZSA-N 2 0 240.391 1.829 20 0 BDADRP CC[NH+](CC)CCCN[C@@H]1C[N@H+](CC)C[C@H]1C ZINC000347664121 355255203 /nfs/dbraw/zinc/25/52/03/355255203.db2.gz OUUBWNIOEFUOPT-ZIAGYGMSSA-N 2 0 241.423 1.648 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CCO1 ZINC000388975915 355382294 /nfs/dbraw/zinc/38/22/94/355382294.db2.gz ZAIUJDDRNDOUKH-FVCCEPFGSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CCO1 ZINC000388975919 355382359 /nfs/dbraw/zinc/38/23/59/355382359.db2.gz ZAIUJDDRNDOUKH-LPWJVIDDSA-N 2 0 226.364 1.661 20 0 BDADRP C[NH2+][C@@H]1CCCN(C[C@@H]([NH3+])CC(C)C)C1 ZINC000414672234 191543804 /nfs/dbraw/zinc/54/38/04/191543804.db2.gz NLUAMCOHJSBRFJ-NWDGAFQWSA-N 2 0 213.369 1.044 20 0 BDADRP CC(C)C[C@H]([NH3+])CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000414696390 191548409 /nfs/dbraw/zinc/54/84/09/191548409.db2.gz HKQVSHASELNUAL-RDBSUJKOSA-N 2 0 241.423 1.774 20 0 BDADRP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]CCC1CCCCCC1 ZINC000414778190 191567145 /nfs/dbraw/zinc/56/71/45/191567145.db2.gz DYCWTNKQZYLULR-ZIAGYGMSSA-N 2 0 240.391 1.517 20 0 BDADRP C1CC2(C1)[C@H]([NH2+]C1CC[NH2+]CC1)[C@@H]1CCO[C@@H]12 ZINC000414784464 191567571 /nfs/dbraw/zinc/56/75/71/191567571.db2.gz SISMTPXGYQFRGM-XQQFMLRXSA-N 2 0 236.359 1.286 20 0 BDADRP C[C@@H]1CCC[C@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000414785759 191567593 /nfs/dbraw/zinc/56/75/93/191567593.db2.gz WCHAVAXTHAEKKV-CHWSQXEVSA-N 2 0 225.380 1.060 20 0 BDADRP CCCC[C@@H](C[NH3+])NC[C@H]1CCC[NH2+]C1 ZINC000414813445 191580105 /nfs/dbraw/zinc/58/01/05/191580105.db2.gz MLZXQAWIAYWXNZ-RYUDHWBXSA-N 2 0 213.369 1.093 20 0 BDADRP CC(C)C[C@H](C[NH3+])NC1CC[NH+](C(C)C)CC1 ZINC000414842112 191597514 /nfs/dbraw/zinc/59/75/14/191597514.db2.gz NRWIOBWDMKTUQK-CQSZACIVSA-N 2 0 241.423 1.822 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CCC[C@H]([NH+](C)C)CC1 ZINC000414747866 191560612 /nfs/dbraw/zinc/56/06/12/191560612.db2.gz VDLCWQIEYRXJGO-KBPBESRZSA-N 2 0 241.423 1.776 20 0 BDADRP C[C@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414994382 191644412 /nfs/dbraw/zinc/64/44/12/191644412.db2.gz DIRXHHUPWIZOSV-UPJWGTAASA-N 2 0 236.363 1.379 20 0 BDADRP C([NH2+][C@H]1CCC[C@@H]1C1CC1)[C@H]1CC[NH2+]C1 ZINC000414899072 191620469 /nfs/dbraw/zinc/62/04/69/191620469.db2.gz CDQGFJULVZTVKP-UHTWSYAYSA-N 2 0 208.349 1.764 20 0 BDADRP COc1cc(C[NH2+]CCCC[NH3+])ccc1C ZINC000414909397 191622205 /nfs/dbraw/zinc/62/22/05/191622205.db2.gz RCYUBFWLTPRPNT-UHFFFAOYSA-N 2 0 222.332 1.832 20 0 BDADRP C[C@@]1(CNc2ccc(C[NH3+])cc2)CC[NH2+]C1 ZINC000414917475 191623316 /nfs/dbraw/zinc/62/33/16/191623316.db2.gz VUPLVIPKYIYDOT-CYBMUJFWSA-N 2 0 219.332 1.557 20 0 BDADRP CCC[NH+]1CCC(NC[C@@H](C)[NH2+]CC)CC1 ZINC000414967476 191635443 /nfs/dbraw/zinc/63/54/43/191635443.db2.gz XISPKECIKDDGFW-GFCCVEGCSA-N 2 0 227.396 1.448 20 0 BDADRP C[NH+](C)CC1CC[NH+](CC2=CCCOC2)CC1 ZINC000350145901 355615489 /nfs/dbraw/zinc/61/54/89/355615489.db2.gz JUYZHNJIRMAPEC-UHFFFAOYSA-N 2 0 238.375 1.607 20 0 BDADRP CC[C@@H]1C[C@H](C[NH2+][C@H]2CC[NH2+]C2(C)C)CCO1 ZINC000415037982 191659728 /nfs/dbraw/zinc/65/97/28/191659728.db2.gz LRDCIOADEIILRO-UPJWGTAASA-N 2 0 240.391 1.922 20 0 BDADRP Cc1ccc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)nc1 ZINC000415040239 191659797 /nfs/dbraw/zinc/65/97/97/191659797.db2.gz OTBDYZHTJXAIRG-NWDGAFQWSA-N 2 0 219.332 1.607 20 0 BDADRP Cn1nccc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350216064 355650070 /nfs/dbraw/zinc/65/00/70/355650070.db2.gz GRYIOOBWLSBEPO-UHFFFAOYSA-N 2 0 236.363 1.194 20 0 BDADRP CC[C@@H](C)[C@@H](C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)OC ZINC000639313535 355690996 /nfs/dbraw/zinc/69/09/96/355690996.db2.gz XCPMEOIQGGPIFS-YIYPIFLZSA-N 2 0 242.407 1.977 20 0 BDADRP CS[C@H]1CC[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000425357280 191821798 /nfs/dbraw/zinc/82/17/98/191821798.db2.gz PYGIBIRHUNDGNP-QWRGUYRKSA-N 2 0 216.394 1.812 20 0 BDADRP CCC[C@@H]([NH3+])C(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC000167323193 355991484 /nfs/dbraw/zinc/99/14/84/355991484.db2.gz LHQXKQGUUUQKFD-VXGBXAGGSA-N 2 0 241.379 1.104 20 0 BDADRP CC[NH+](CC)CC1CC[NH+](CC(C)=O)CC1 ZINC000639452117 356232175 /nfs/dbraw/zinc/23/21/75/356232175.db2.gz MLEXLCOBOGFFCU-UHFFFAOYSA-N 2 0 226.364 1.629 20 0 BDADRP CC[NH+](CC)CCCN(C)C1(C[NH3+])CCC1 ZINC000420319924 192195000 /nfs/dbraw/zinc/19/50/00/192195000.db2.gz AZMDNYCMJGXVFK-UHFFFAOYSA-N 2 0 227.396 1.532 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](C)N1CCC[NH+]1CCCCC1 ZINC000420320128 192195093 /nfs/dbraw/zinc/19/50/93/192195093.db2.gz YJIRBEXRDHDCBP-OKILXGFUSA-N 2 0 239.407 1.545 20 0 BDADRP C[NH+](C)CC1CC[NH+](CCc2cnccn2)CC1 ZINC000639454409 356238730 /nfs/dbraw/zinc/23/87/30/356238730.db2.gz ZDLVUYUXDKKQOG-UHFFFAOYSA-N 2 0 248.374 1.293 20 0 BDADRP CC(C)OC(=O)CC[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000420291748 192203635 /nfs/dbraw/zinc/20/36/35/192203635.db2.gz KRCARJFEBDXKTB-NSHDSACASA-N 2 0 242.363 1.387 20 0 BDADRP C(C[N@@H+]1CCC[C@@H]2COCC[C@H]21)[C@@H]1CC[NH2+]C1 ZINC000420299219 192204416 /nfs/dbraw/zinc/20/44/16/192204416.db2.gz IJVMVGRXEGHVIL-BFHYXJOUSA-N 2 0 238.375 1.487 20 0 BDADRP CC[NH+](CC)CCC[NH+]1CCC(C[NH2+]C)CC1 ZINC000420297709 192204738 /nfs/dbraw/zinc/20/47/38/192204738.db2.gz RLMWTOTYSQHKTE-UHFFFAOYSA-N 3 0 241.423 1.650 20 0 BDADRP C[C@H](O)CC[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420296757 192206009 /nfs/dbraw/zinc/20/60/09/192206009.db2.gz DTXVRDSDKZBVRV-RYUDHWBXSA-N 2 0 214.353 1.079 20 0 BDADRP C[C@@H]1[NH2+]CCN(CCC[NH+]2CCCCC2)[C@H]1C ZINC000420318959 192196210 /nfs/dbraw/zinc/19/62/10/192196210.db2.gz WYAKBYIRPUVUBS-KBPBESRZSA-N 2 0 239.407 1.545 20 0 BDADRP CCCN(CC[C@@H]1CC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000420286304 192199380 /nfs/dbraw/zinc/19/93/80/192199380.db2.gz FFNCRNOAZCMVOC-STQMWFEESA-N 2 0 225.380 1.060 20 0 BDADRP COc1ccccc1CCC[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000420287967 192201117 /nfs/dbraw/zinc/20/11/17/192201117.db2.gz GUOBEFYFRBLWKG-CYBMUJFWSA-N 2 0 248.370 1.908 20 0 BDADRP CCOC(=O)CC[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000420288492 192201210 /nfs/dbraw/zinc/20/12/10/192201210.db2.gz IXZHENLOTXKNPB-NSHDSACASA-N 2 0 230.352 1.245 20 0 BDADRP COc1cccc(CN[C@](C)(C[NH3+])C2CC2)c1 ZINC000420289995 192201308 /nfs/dbraw/zinc/20/13/08/192201308.db2.gz LBSZNVTZEWSILW-CQSZACIVSA-N 2 0 234.343 1.912 20 0 BDADRP C[C@@H]1CN(CCC[NH+]2CCCCC2)CC[NH2+]1 ZINC000420295084 192203042 /nfs/dbraw/zinc/20/30/42/192203042.db2.gz USGVGVGNJLBXJI-CYBMUJFWSA-N 2 0 225.380 1.156 20 0 BDADRP C[C@@H]1C[NH2+][C@@H](C)CN1CCC[NH+]1CCCCC1 ZINC000420338746 192215994 /nfs/dbraw/zinc/21/59/94/192215994.db2.gz OTGQVRNIQHPZJM-UONOGXRCSA-N 2 0 239.407 1.545 20 0 BDADRP C([C@@H]1CCOC1)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420338944 192216412 /nfs/dbraw/zinc/21/64/12/192216412.db2.gz YIXUYSQYHDNWJA-MJBXVCDLSA-N 2 0 238.375 1.344 20 0 BDADRP CC(C)COCC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420354036 192218053 /nfs/dbraw/zinc/21/80/53/192218053.db2.gz BIEASJIRTHPZIK-CQSZACIVSA-N 2 0 240.391 1.735 20 0 BDADRP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(C)n1 ZINC000420300258 192207628 /nfs/dbraw/zinc/20/76/28/192207628.db2.gz CFCJNBKKKVLZAI-SOUVJXGZSA-N 2 0 245.370 1.868 20 0 BDADRP CC[NH+](CC)CCCN1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000420304101 192208868 /nfs/dbraw/zinc/20/88/68/192208868.db2.gz XYJCCSJALGEGJW-BETUJISGSA-N 2 0 227.396 1.401 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC[C@@H]1CCCCO1 ZINC000420308132 192210000 /nfs/dbraw/zinc/21/00/00/192210000.db2.gz CLQPQEHGNOYPGN-AGIUHOORSA-N 2 0 226.364 1.615 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC[C@@H]3CC[NH2+]C3)C[C@@H]21 ZINC000420313007 192210654 /nfs/dbraw/zinc/21/06/54/192210654.db2.gz SZIKLNHMGNDQAT-RFQIPJPRSA-N 3 0 237.391 1.045 20 0 BDADRP CCCC[N@H+](CCOC)CC[C@H]1CC[NH2+]C1 ZINC000420308531 192211361 /nfs/dbraw/zinc/21/13/61/192211361.db2.gz SIUZEPWSQHVPGT-CYBMUJFWSA-N 2 0 228.380 1.735 20 0 BDADRP CO[C@@]1(C)C[C@@H]([N@H+](C)CCC[NH3+])C1(C)C ZINC000420308445 192211622 /nfs/dbraw/zinc/21/16/22/192211622.db2.gz SGDZPQCRRXVZJW-PWSUYJOCSA-N 2 0 214.353 1.471 20 0 BDADRP CN(CCC[NH+]1CCCCC1)[C@@H](C[NH3+])C1CC1 ZINC000420310224 192211642 /nfs/dbraw/zinc/21/16/42/192211642.db2.gz FZRGGVGASVGJHC-AWEZNQCLSA-N 2 0 239.407 1.532 20 0 BDADRP CCC[C@H]1C[NH2+]CCN1CCC[NH+](CC)CC ZINC000420316414 192212107 /nfs/dbraw/zinc/21/21/07/192212107.db2.gz YCNSSUZCJHDVRD-AWEZNQCLSA-N 2 0 241.423 1.792 20 0 BDADRP C[C@@H]1[C@H](C)NCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420315859 192212299 /nfs/dbraw/zinc/21/22/99/192212299.db2.gz SBIOGFCUXHULIB-XQQFMLRXSA-N 2 0 225.380 1.058 20 0 BDADRP COC(=O)[C@H](C)C[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420371108 192227333 /nfs/dbraw/zinc/22/73/33/192227333.db2.gz ZMJZBMRIZOIJJV-VXGBXAGGSA-N 2 0 242.363 1.117 20 0 BDADRP Cc1cnn(CC[NH2+][C@](C)(C[NH3+])C(C)C)c1 ZINC000420323442 192227843 /nfs/dbraw/zinc/22/78/43/192227843.db2.gz UHOBWANJVUJJCD-GFCCVEGCSA-N 2 0 224.352 1.155 20 0 BDADRP COC(=O)[C@@H]1CCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420370771 192228060 /nfs/dbraw/zinc/22/80/60/192228060.db2.gz ZDPCOMSXNXKAMS-NEPJUHHUSA-N 2 0 240.347 1.014 20 0 BDADRP C[C@@H]1C[C@@H]([N@H+](C)CC[C@H]2CC[NH2+]C2)CCN1C ZINC000420327759 192229493 /nfs/dbraw/zinc/22/94/93/192229493.db2.gz ZBLSQAVYBRERAR-MCIONIFRSA-N 2 0 239.407 1.401 20 0 BDADRP CCOCCCN1CC[NH2+]C[C@](C)(F)C1 ZINC000420328037 192230265 /nfs/dbraw/zinc/23/02/65/192230265.db2.gz GYAITTSFHDIHPA-NSHDSACASA-N 2 0 218.316 1.046 20 0 BDADRP C[C@H](C1CC1)[N@H+](CCN1CC[NH2+]CC1)C1CC1 ZINC000420324455 192230692 /nfs/dbraw/zinc/23/06/92/192230692.db2.gz VJJRIFJFSZBFLP-GFCCVEGCSA-N 2 0 237.391 1.155 20 0 BDADRP C[N@H+](C[C@H](O)C[NH3+])[C@@H]1CCCc2ccccc21 ZINC000420356624 192219331 /nfs/dbraw/zinc/21/93/31/192219331.db2.gz RCCOURJRCBQFBS-TZMCWYRMSA-N 2 0 234.343 1.315 20 0 BDADRP C[N@H+](CCC[NH+]1CCCCC1)[C@@H]1CCCOC1 ZINC000352186143 134099836 /nfs/dbraw/zinc/09/98/36/134099836.db2.gz JHTJCFOBFUVANV-CQSZACIVSA-N 2 0 240.391 1.973 20 0 BDADRP CC(C)[N@H+](CCC[NH3+])CCc1nccs1 ZINC000420359959 192221217 /nfs/dbraw/zinc/22/12/17/192221217.db2.gz LHWTVPGBGQABSN-UHFFFAOYSA-N 2 0 227.377 1.745 20 0 BDADRP C[C@H]1[C@@H]([NH3+])CCN1CCC[NH+]1CCCCC1 ZINC000420359820 192222872 /nfs/dbraw/zinc/22/28/72/192222872.db2.gz WDLVBGFGMHFUEV-STQMWFEESA-N 2 0 225.380 1.284 20 0 BDADRP CC[N@@H+]1C[C@@H](C)N(CCC[NH2+]C)C[C@H]1C ZINC000420365785 192223346 /nfs/dbraw/zinc/22/33/46/192223346.db2.gz SOXMXINFNNPTTE-VXGBXAGGSA-N 2 0 213.369 1.010 20 0 BDADRP COCC1(C)CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420364089 192224200 /nfs/dbraw/zinc/22/42/00/192224200.db2.gz CMVSDTPPGBVZBH-CYBMUJFWSA-N 2 0 240.391 1.735 20 0 BDADRP CCC(C)(C)[C@H]1CCC[N@@H+]1CCOCC[NH3+] ZINC000420365500 192224402 /nfs/dbraw/zinc/22/44/02/192224402.db2.gz DXSRLBBNIPWBHP-GFCCVEGCSA-N 2 0 228.380 1.862 20 0 BDADRP C[C@@H]([NH3+])CN1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000420367853 192225159 /nfs/dbraw/zinc/22/51/59/192225159.db2.gz WILSLBUBBMCORJ-MWLCHTKSSA-N 2 0 249.362 1.209 20 0 BDADRP CCOCC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420381872 192234470 /nfs/dbraw/zinc/23/44/70/192234470.db2.gz CUMLKTUQZWFRLT-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP C[N@@H+]1CC[C@H](NCCC[NH3+])[C@H]1c1ccccc1 ZINC000420390634 192236260 /nfs/dbraw/zinc/23/62/60/192236260.db2.gz ABXPQFIKPOBOBX-UONOGXRCSA-N 2 0 233.359 1.370 20 0 BDADRP C[NH2+]CCCN[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000420393474 192236290 /nfs/dbraw/zinc/23/62/90/192236290.db2.gz CDPGFOXIUJUZOZ-GJZGRUSLSA-N 2 0 247.386 1.631 20 0 BDADRP COc1ccc(OCCCN(C)CC[NH3+])cc1 ZINC000420390796 192236380 /nfs/dbraw/zinc/23/63/80/192236380.db2.gz ZXSLJDSGKNOFFU-UHFFFAOYSA-N 2 0 238.331 1.355 20 0 BDADRP COCCCCC[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420406770 192238804 /nfs/dbraw/zinc/23/88/04/192238804.db2.gz NZAONISLAMLHRK-CHWSQXEVSA-N 2 0 228.380 1.720 20 0 BDADRP COc1ccc(CC[N@@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000011888448 356421387 /nfs/dbraw/zinc/42/13/87/356421387.db2.gz LEPQOVOSFZYGON-CQSZACIVSA-N 2 0 248.370 1.908 20 0 BDADRP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]C[C@H](C)[NH3+] ZINC000420411528 192239096 /nfs/dbraw/zinc/23/90/96/192239096.db2.gz RTOPUFWRLFNPGC-SRVKXCTJSA-N 2 0 214.353 1.517 20 0 BDADRP C[NH2+]CCC[NH2+][C@H]1CCCO[C@H]1CC(C)C ZINC000420409687 192239149 /nfs/dbraw/zinc/23/91/49/192239149.db2.gz QNRLWGWNWFWWCV-STQMWFEESA-N 2 0 228.380 1.779 20 0 BDADRP CC(C)OC(=O)CC[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420415235 192241353 /nfs/dbraw/zinc/24/13/53/192241353.db2.gz UXPKLMNDNVEQCX-NEPJUHHUSA-N 2 0 242.363 1.245 20 0 BDADRP CC[C@H]1CCC[C@@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000420422421 192242519 /nfs/dbraw/zinc/24/25/19/192242519.db2.gz ZLBDOFOIWONEIQ-STQMWFEESA-N 2 0 225.380 1.060 20 0 BDADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC(C)(C)C[NH+](C)C ZINC000019505669 356484470 /nfs/dbraw/zinc/48/44/70/356484470.db2.gz BCPJNVPIQGSBGI-GHMZBOCLSA-N 2 0 243.395 1.064 20 0 BDADRP Cc1cc(N[C@H](C)C2CC[NH+](C)CC2)ncn1 ZINC000396474511 356479517 /nfs/dbraw/zinc/47/95/17/356479517.db2.gz SCSHKNZESYJFGP-LLVKDONJSA-N 2 0 234.347 1.927 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@H]2C[C@@H](O)C2)[C@@H](C)C1 ZINC000420927996 192286691 /nfs/dbraw/zinc/28/66/91/192286691.db2.gz AZEKRIYJDHKEJT-IGQOVBAYSA-N 2 0 240.391 1.419 20 0 BDADRP CCc1nc(CC[NH2+][C@H](C)CCC[NH3+])cs1 ZINC000422898347 192501505 /nfs/dbraw/zinc/50/15/05/192501505.db2.gz DUYLVPXCHDMGAG-SNVBAGLBSA-N 2 0 241.404 1.965 20 0 BDADRP CC(C)[NH+](CCCN[C@@H]1CCC[C@@H]1[NH3+])C(C)C ZINC000423008746 192537810 /nfs/dbraw/zinc/53/78/10/192537810.db2.gz ULGHJPPLISGANV-UONOGXRCSA-N 2 0 241.423 1.965 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CC[C@H]1CCO[C@@H](C)C1 ZINC000423031481 192544780 /nfs/dbraw/zinc/54/47/80/192544780.db2.gz LAGDMFMWCZJYJI-AGIUHOORSA-N 2 0 228.380 1.909 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000423090319 192564810 /nfs/dbraw/zinc/56/48/10/192564810.db2.gz XIYQQXJHFILXHM-YNEHKIRRSA-N 2 0 227.396 1.304 20 0 BDADRP CC[C@@H](CO)[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423058258 192554972 /nfs/dbraw/zinc/55/49/72/192554972.db2.gz JBXBRAWXSMFJCA-UBHSHLNASA-N 2 0 236.359 1.305 20 0 BDADRP C[NH+]1CCC2(CC[N@H+](Cc3ccon3)C2)CC1 ZINC000639756636 356662052 /nfs/dbraw/zinc/66/20/52/356662052.db2.gz ZVHQFTUJZQBHRI-UHFFFAOYSA-N 2 0 235.331 1.592 20 0 BDADRP C[NH+]1CCC2(CC[N@@H+]([C@H]3CCCOC3)C2)CC1 ZINC000639757397 356663608 /nfs/dbraw/zinc/66/36/08/356663608.db2.gz KUWQISLQGBGVPQ-ZDUSSCGKSA-N 2 0 238.375 1.583 20 0 BDADRP Cc1cc(C[NH2+]C2CCC(C[NH3+])CC2)n(C)n1 ZINC000423107756 192570418 /nfs/dbraw/zinc/57/04/18/192570418.db2.gz QHCIXFFFRYJPHX-UHFFFAOYSA-N 2 0 236.363 1.336 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCOC(F)F ZINC000423116745 192573972 /nfs/dbraw/zinc/57/39/72/192573972.db2.gz RKGNTIDYANVYNA-UWVGGRQHSA-N 2 0 236.306 1.593 20 0 BDADRP C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@](O)(CN(C)C)C1 ZINC000639761080 356675894 /nfs/dbraw/zinc/67/58/94/356675894.db2.gz CVSGYYNLXGBCTB-FRRDWIJNSA-N 2 0 226.364 1.031 20 0 BDADRP C[C@@H]1CC[C@H](N2CCC[C@H]([NH+](C)C)C2)C[NH2+]1 ZINC000084419971 538532969 /nfs/dbraw/zinc/53/29/69/538532969.db2.gz WRRJVHOBOIKPLR-AGIUHOORSA-N 2 0 225.380 1.153 20 0 BDADRP CO[C@@H]([C@@H](C)[NH2+]C1CCC(C[NH3+])CC1)C1CC1 ZINC000423162299 192598470 /nfs/dbraw/zinc/59/84/70/192598470.db2.gz OZXOINKQNNMUAF-UZRPSVAASA-N 2 0 240.391 1.907 20 0 BDADRP CCC[C@@H](O)C[N@H+](C)C1CC[NH+](CCC)CC1 ZINC000450473484 202178137 /nfs/dbraw/zinc/17/81/37/202178137.db2.gz ZRBSQVABUVQKLN-CQSZACIVSA-N 2 0 242.407 1.954 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+]CCN2CC[C@@H](O)C2)C[C@@H]1C ZINC000623758471 356815006 /nfs/dbraw/zinc/81/50/06/356815006.db2.gz CCBUKXWLQYAYHH-XJFOESAGSA-N 2 0 240.391 1.467 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCOC2)CC1(C)C ZINC000623370371 356872766 /nfs/dbraw/zinc/87/27/66/356872766.db2.gz HXGSVGPRCZXYGR-OLZOCXBDSA-N 2 0 240.391 1.875 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCCOC2)CC1(C)C ZINC000623370370 356872851 /nfs/dbraw/zinc/87/28/51/356872851.db2.gz HXGSVGPRCZXYGR-CHWSQXEVSA-N 2 0 240.391 1.875 20 0 BDADRP COCC1(C[NH2+][C@H](C)CCC[NH3+])CCCC1 ZINC000423168323 192603458 /nfs/dbraw/zinc/60/34/58/192603458.db2.gz UIUDFPJCAKLKJX-GFCCVEGCSA-N 2 0 228.380 1.910 20 0 BDADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)C(C)(C)C ZINC000423175013 192608302 /nfs/dbraw/zinc/60/83/02/192608302.db2.gz CPDPDJRFGQLJCD-LBPRGKRZSA-N 2 0 227.396 1.306 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@]1(CC)CC[NH2+]C1 ZINC000368566762 356974554 /nfs/dbraw/zinc/97/45/54/356974554.db2.gz OSRSVOJNOSQWEH-AAEUAGOBSA-N 2 0 241.379 1.010 20 0 BDADRP Cc1c[nH+]ccc1NC[C@H]1CCC[N@@H+]1CCCO ZINC000450598129 202207086 /nfs/dbraw/zinc/20/70/86/202207086.db2.gz PYACSSHAABIREM-CYBMUJFWSA-N 2 0 249.358 1.071 20 0 BDADRP COCCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423218662 192632366 /nfs/dbraw/zinc/63/23/66/192632366.db2.gz SFGPWMJKNDVCMX-RWMBFGLXSA-N 2 0 228.380 1.779 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423282266 192675343 /nfs/dbraw/zinc/67/53/43/192675343.db2.gz VRNQCYXQEQWGOZ-TUAOUCFPSA-N 2 0 213.369 1.090 20 0 BDADRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ccoc1 ZINC000582480859 357316595 /nfs/dbraw/zinc/31/65/95/357316595.db2.gz ODZGHKKSKUTWRX-SNVBAGLBSA-N 2 0 206.289 1.850 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccoc1 ZINC000582481575 357316745 /nfs/dbraw/zinc/31/67/45/357316745.db2.gz VXMUECHRLOLGLA-MNOVXSKESA-N 2 0 208.305 1.930 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccoc1 ZINC000582481577 357317007 /nfs/dbraw/zinc/31/70/07/357317007.db2.gz VXMUECHRLOLGLA-WDEREUQCSA-N 2 0 208.305 1.930 20 0 BDADRP CC[NH2+]Cc1ccccc1NC(=O)[C@H](C)[NH2+]C ZINC000584361113 357327229 /nfs/dbraw/zinc/32/72/29/357327229.db2.gz CXSCNDRJHDJMKK-JTQLQIEISA-N 2 0 235.331 1.343 20 0 BDADRP C[C@@H]([NH2+]CC1(CCO)CC1)C1CC[NH+](C)CC1 ZINC000157524076 538828484 /nfs/dbraw/zinc/82/84/84/538828484.db2.gz LGQCBHOAYMBHQE-GFCCVEGCSA-N 2 0 240.391 1.469 20 0 BDADRP CC(C)([NH3+])C[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000423290365 192682891 /nfs/dbraw/zinc/68/28/91/192682891.db2.gz ZUTBVIXYLPGECG-RWMBFGLXSA-N 2 0 240.391 1.909 20 0 BDADRP COc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH3+])cc1O ZINC000423299323 192688600 /nfs/dbraw/zinc/68/86/00/192688600.db2.gz BSRDDGKPGVTALE-UWVGGRQHSA-N 2 0 238.331 1.646 20 0 BDADRP CCCC[C@@H](C[NH3+])N[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423299724 192689279 /nfs/dbraw/zinc/68/92/79/192689279.db2.gz QNUKOQQPPMUKEG-AVGNSLFASA-N 2 0 227.396 1.624 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623408023 357404065 /nfs/dbraw/zinc/40/40/65/357404065.db2.gz DWDCMWMRTZJEHA-YPMHNXCESA-N 2 0 228.380 1.610 20 0 BDADRP Cc1cnccc1CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000582857289 357421378 /nfs/dbraw/zinc/42/13/78/357421378.db2.gz ZOZMJAVBSPEBLT-KBPBESRZSA-N 2 0 233.359 1.792 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+]CCOCC2CC2)CC1(C)C ZINC000623410101 357503779 /nfs/dbraw/zinc/50/37/79/357503779.db2.gz APHHAMTWAIAGPG-CYBMUJFWSA-N 2 0 240.391 1.875 20 0 BDADRP CCN(CCC[NH+](CC)CC)C(=O)CCC[NH3+] ZINC000230712644 357573423 /nfs/dbraw/zinc/57/34/23/357573423.db2.gz NMCRMZYDUPANHD-UHFFFAOYSA-N 2 0 243.395 1.306 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CC2(O)CCCC2)CC1(C)C ZINC000623412434 357585867 /nfs/dbraw/zinc/58/58/67/357585867.db2.gz KTWUTSSLAFCEPR-LBPRGKRZSA-N 2 0 240.391 1.754 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000361152632 538868145 /nfs/dbraw/zinc/86/81/45/538868145.db2.gz JZFIPTHVXPAWAR-HZSPNIEDSA-N 2 0 241.423 1.647 20 0 BDADRP C[NH+](C)CCOCC[NH2+]C[C@H]1CC=CCC1 ZINC000231676797 357619720 /nfs/dbraw/zinc/61/97/20/357619720.db2.gz WYOHEVQFLBHJCL-ZDUSSCGKSA-N 2 0 226.364 1.511 20 0 BDADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)[C@@H]1CCC[NH2+]C1 ZINC000583263197 357739099 /nfs/dbraw/zinc/73/90/99/357739099.db2.gz OGMCMQMMJZGUKN-SWLSCSKDSA-N 3 0 247.386 1.623 20 0 BDADRP Cc1ccncc1C[NH2+]CCOCC[NH+](C)C ZINC000234257679 357788347 /nfs/dbraw/zinc/78/83/47/357788347.db2.gz JWKAWYBXHOTIAA-UHFFFAOYSA-N 2 0 237.347 1.058 20 0 BDADRP Cc1c[nH+]ccc1N(C)CC[N@H+](C)C1CC1 ZINC000192777479 357851834 /nfs/dbraw/zinc/85/18/34/357851834.db2.gz UQDJVWIDLXANJI-UHFFFAOYSA-N 2 0 219.332 1.920 20 0 BDADRP CC[C@H](C)[C@H](O)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623416863 357860402 /nfs/dbraw/zinc/86/04/02/357860402.db2.gz KDSANHGEKWJESO-RWMBFGLXSA-N 2 0 242.407 1.856 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CC1(C)CCCC1 ZINC000234779447 357827607 /nfs/dbraw/zinc/82/76/07/357827607.db2.gz ZFNMBBXHSINEPV-LBPRGKRZSA-N 2 0 228.380 1.910 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]Cc1cccc(F)c1 ZINC000234795069 357828950 /nfs/dbraw/zinc/82/89/50/357828950.db2.gz LBXQCQRJUGRHAH-ZDUSSCGKSA-N 2 0 240.322 1.669 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccccc1F ZINC000234732366 357833803 /nfs/dbraw/zinc/83/38/03/357833803.db2.gz JGHJHAAEMWXXMP-GFCCVEGCSA-N 2 0 240.322 1.669 20 0 BDADRP COCC[NH+]1CCC(Nc2cc[nH+]cc2C)CC1 ZINC000192531448 357843782 /nfs/dbraw/zinc/84/37/82/357843782.db2.gz GGOZKGLLBFIGGJ-UHFFFAOYSA-N 2 0 249.358 1.913 20 0 BDADRP C[C@H]1COCC[C@H]1[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000192604283 357846025 /nfs/dbraw/zinc/84/60/25/357846025.db2.gz JUWYQFPONZWPOL-RFQIPJPRSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@H](C[NH2+]C1CCC(O)CC1)C[NH+]1CCCC1 ZINC000235470684 357870988 /nfs/dbraw/zinc/87/09/88/357870988.db2.gz YUYZIUZEZJEBSC-IYXRBSQSSA-N 2 0 240.391 1.611 20 0 BDADRP C[NH2+]C[C@@](C)(O)C[NH2+][C@@H]1CCCC1(C)C ZINC000584415531 357915990 /nfs/dbraw/zinc/91/59/90/357915990.db2.gz MQBFWHJYEGGUBL-ZYHUDNBSSA-N 2 0 214.353 1.125 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+]CC2(O)CCCC2)C1 ZINC000583747933 357933115 /nfs/dbraw/zinc/93/31/15/357933115.db2.gz KEJRCTZVSXVYIF-CYBMUJFWSA-N 2 0 240.391 1.613 20 0 BDADRP OCC1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000219070867 357984631 /nfs/dbraw/zinc/98/46/31/357984631.db2.gz GATAXEJBCPEXIY-GFCCVEGCSA-N 2 0 226.364 1.080 20 0 BDADRP CC(C)[C@@H](c1nc(C2([NH3+])CCC2)no1)[C@@H](C)[NH3+] ZINC000584469459 357989860 /nfs/dbraw/zinc/98/98/60/357989860.db2.gz GEGNOACNLCUALP-RKDXNWHRSA-N 2 0 238.335 1.494 20 0 BDADRP CC(C)C[C@H]([NH3+])C[N@H+](C)C1CCOCC1 ZINC000036321661 358020213 /nfs/dbraw/zinc/02/02/13/358020213.db2.gz DCUOZTVDHNTVFU-NSHDSACASA-N 2 0 214.353 1.471 20 0 BDADRP C[C@@H](CO)C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639983135 358026441 /nfs/dbraw/zinc/02/64/41/358026441.db2.gz CDDDZYWARDNXHR-CYBMUJFWSA-N 2 0 240.391 1.565 20 0 BDADRP CC(C)C[C@H]([NH3+])c1noc([C@H](C)[C@@H](C)[NH3+])n1 ZINC000584529128 358041968 /nfs/dbraw/zinc/04/19/68/358041968.db2.gz RMDKKZLEHLXXRA-HLTSFMKQSA-N 2 0 226.324 1.566 20 0 BDADRP C[C@H]1C[C@H](NCc2cncnc2)CC[N@@H+]1C ZINC000090721352 363596048 /nfs/dbraw/zinc/59/60/48/363596048.db2.gz RACUEQXDSTXVQA-CMPLNLGQSA-N 2 0 220.320 1.049 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)[C@H]1CCCO1 ZINC000168713225 134246658 /nfs/dbraw/zinc/24/66/58/134246658.db2.gz RIVKJPUIJOZSRG-QJPTWQEYSA-N 2 0 212.337 1.286 20 0 BDADRP CC[C@@H](C)[N@H+](C)CCN[C@@H]1CCC[NH2+]CC1 ZINC000217748965 134249279 /nfs/dbraw/zinc/24/92/79/134249279.db2.gz GCQKIHNQGSZSPC-CHWSQXEVSA-N 2 0 227.396 1.448 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)C2CC2)CC1(C)C ZINC000623418117 358061978 /nfs/dbraw/zinc/06/19/78/358061978.db2.gz CGWKSIWNBXSCLN-NWDGAFQWSA-N 2 0 226.364 1.220 20 0 BDADRP CCC1([NH+](C)C)CC[NH+](CCCOC)CC1 ZINC000640016305 358076493 /nfs/dbraw/zinc/07/64/93/358076493.db2.gz XMUAUMCRAFOFQY-UHFFFAOYSA-N 2 0 228.380 1.829 20 0 BDADRP CO[C@@H]([C@@H](C)[NH2+][C@@H](C)CCC[NH3+])C1CC1 ZINC000388279658 358124145 /nfs/dbraw/zinc/12/41/45/358124145.db2.gz KNUQVEOSEDRFQH-UMNHJUIQSA-N 2 0 214.353 1.517 20 0 BDADRP Cn1ccc(C[NH2+]CCC2CC[NH+](C)CC2)n1 ZINC000134403259 325357472 /nfs/dbraw/zinc/35/74/72/325357472.db2.gz WFVXMDZJHGMLBH-UHFFFAOYSA-N 2 0 236.363 1.242 20 0 BDADRP C[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)C[NH+]1CCCC1 ZINC000223008173 358214189 /nfs/dbraw/zinc/21/41/89/358214189.db2.gz FLWDBVYMNUMRIK-MGPQQGTHSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000228278122 358372286 /nfs/dbraw/zinc/37/22/86/358372286.db2.gz YWENNPNZTZGLSX-QJPTWQEYSA-N 2 0 214.353 1.255 20 0 BDADRP C[C@H](O)C[NH2+]CCCN1CCc2ccccc2C1 ZINC000580416257 358518076 /nfs/dbraw/zinc/51/80/76/358518076.db2.gz PXJQDCVOOSWZCI-ZDUSSCGKSA-N 2 0 248.370 1.405 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccn(C)c2)C1 ZINC000124562728 358518291 /nfs/dbraw/zinc/51/82/91/358518291.db2.gz BWPOVNIOGIIFJR-CYBMUJFWSA-N 2 0 235.375 1.847 20 0 BDADRP C[N@H+]1C[C@@H]2C[NH+](C[C@H]3CCCCO3)C[C@@H]2C1 ZINC000193599572 358433893 /nfs/dbraw/zinc/43/38/93/358433893.db2.gz OSHLAVGOBCOTTG-FRRDWIJNSA-N 2 0 224.348 1.049 20 0 BDADRP C[C@@H]1CCC[C@@H]([NH2+]CCOCC[NH+](C)C)[C@@H]1C ZINC000219306975 134281419 /nfs/dbraw/zinc/28/14/19/134281419.db2.gz OXEHLQLLBOYZAB-MGPQQGTHSA-N 2 0 242.407 1.979 20 0 BDADRP CCC(O)(CC)C[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000130069654 358606239 /nfs/dbraw/zinc/60/62/39/358606239.db2.gz PBGWVKYSSSCWHF-NWDGAFQWSA-N 2 0 240.391 1.752 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCc2ccco2)CC[N@@H+]1C ZINC000129668230 358592407 /nfs/dbraw/zinc/59/24/07/358592407.db2.gz OAWUAXKSRJLLKG-VXGBXAGGSA-N 2 0 222.332 1.894 20 0 BDADRP FC(F)(F)COCCCN1CCC[NH2+]CC1 ZINC000049311933 358681329 /nfs/dbraw/zinc/68/13/29/358681329.db2.gz JBNDMLYAWPONPQ-UHFFFAOYSA-N 2 0 240.269 1.251 20 0 BDADRP C[N@H+](CCCF)C[C@H]1CCC[NH+](C)C1 ZINC000133426380 358753957 /nfs/dbraw/zinc/75/39/57/358753957.db2.gz JXRLASJSXSUHKE-NSHDSACASA-N 2 0 202.317 1.620 20 0 BDADRP [NH3+][C@@H]1CCN(CCCOc2ccccc2)C1 ZINC000050243303 358721137 /nfs/dbraw/zinc/72/11/37/358721137.db2.gz AMXHWTAAMKNNAO-GFCCVEGCSA-N 2 0 220.316 1.489 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H](CC)CCO)CC1 ZINC000134196309 358782734 /nfs/dbraw/zinc/78/27/34/358782734.db2.gz FQIXYFITDUBXKF-GFCCVEGCSA-N 2 0 228.380 1.611 20 0 BDADRP O[C@@H](C[NH2+][C@H]1CCCC12CC2)C[NH+]1CCCC1 ZINC000578248324 366471683 /nfs/dbraw/zinc/47/16/83/366471683.db2.gz CIDLRHLNAMYEER-STQMWFEESA-N 2 0 238.375 1.365 20 0 BDADRP C[C@@H]([NH3+])[C@@H](C)c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000567110070 358849844 /nfs/dbraw/zinc/84/98/44/358849844.db2.gz PRBXUVHISCVILR-RKDXNWHRSA-N 2 0 246.314 1.646 20 0 BDADRP CC(C)[N@H+](C)CCN[C@@H]1C[C@@H](C)[NH+](C)C[C@H]1C ZINC000054111220 358852979 /nfs/dbraw/zinc/85/29/79/358852979.db2.gz IXZLIABVPNXCAQ-MGPQQGTHSA-N 2 0 241.423 1.645 20 0 BDADRP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C1CCCC1 ZINC000070306802 359049032 /nfs/dbraw/zinc/04/90/32/359049032.db2.gz BLAHJVFHMQXHFO-OCCSQVGLSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@H](C[NH2+][C@@H]1CCO[C@H](C)C1)C[NH+]1CCCC1 ZINC000070361846 359051499 /nfs/dbraw/zinc/05/14/99/359051499.db2.gz IDQAXAAGGKVOFZ-MGPQQGTHSA-N 2 0 240.391 1.875 20 0 BDADRP COC[C@H]([NH2+]CC1(C)CC[NH2+]CC1)C(C)C ZINC000423323558 192706850 /nfs/dbraw/zinc/70/68/50/192706850.db2.gz ICWKCPROMSASGI-LBPRGKRZSA-N 2 0 228.380 1.637 20 0 BDADRP COC[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)C(C)C ZINC000423323557 192707214 /nfs/dbraw/zinc/70/72/14/192707214.db2.gz ICWKCPROMSASGI-GFCCVEGCSA-N 2 0 228.380 1.637 20 0 BDADRP CC[C@](C)(O)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000247135753 359196243 /nfs/dbraw/zinc/19/62/43/359196243.db2.gz WTVCMKBDEWHXOA-XQHKEYJVSA-N 2 0 228.380 1.466 20 0 BDADRP C[C@H](NCC[C@H]1CCC[NH2+]1)[C@H]1CCCC[NH2+]1 ZINC000423361200 192731015 /nfs/dbraw/zinc/73/10/15/192731015.db2.gz RGKYPJQRTJYUER-YNEHKIRRSA-N 2 0 225.380 1.249 20 0 BDADRP C[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CCCCO2)C1 ZINC000247230221 359203282 /nfs/dbraw/zinc/20/32/82/359203282.db2.gz MQKBAHHTLRKAHZ-CHWSQXEVSA-N 2 0 226.364 1.439 20 0 BDADRP COCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248177354 359257997 /nfs/dbraw/zinc/25/79/97/359257997.db2.gz VVVOQGMOJMVPQU-NWDGAFQWSA-N 2 0 212.337 1.049 20 0 BDADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000423415256 192749328 /nfs/dbraw/zinc/74/93/28/192749328.db2.gz AKDNJIBSLQVRKF-ZDEQEGDKSA-N 3 0 225.380 1.221 20 0 BDADRP C[C@H](NC[C@@H]1[NH2+]CCCC1(C)C)[C@@H]1CCC[NH2+]1 ZINC000423393236 192764835 /nfs/dbraw/zinc/76/48/35/192764835.db2.gz QVLOYJKLFXTDDD-AVGNSLFASA-N 2 0 239.407 1.495 20 0 BDADRP C[C@@H](CC[NH3+])NC(=O)c1ccccc1C[NH+](C)C ZINC000423496285 192794814 /nfs/dbraw/zinc/79/48/14/192794814.db2.gz GKOKHENYMOPWSX-NSHDSACASA-N 2 0 249.358 1.215 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])N[C@H](C[NH3+])C1CCCC1 ZINC000423497099 192795757 /nfs/dbraw/zinc/79/57/57/192795757.db2.gz GBINAUBKQRKULD-HOSYDEDBSA-N 2 0 213.369 1.219 20 0 BDADRP C[C@@H]1C[C@H](NCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000379652683 359574623 /nfs/dbraw/zinc/57/46/23/359574623.db2.gz XRHVHBKABIFHNC-UKRRQHHQSA-N 2 0 247.386 1.588 20 0 BDADRP Cc1ncsc1CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000391126492 359624507 /nfs/dbraw/zinc/62/45/07/359624507.db2.gz DPIOXXBEUDTZFV-GHMZBOCLSA-N 2 0 239.388 1.854 20 0 BDADRP COCCC[C@H](C)[NH2+][C@@H]1CCCN(C)C1 ZINC000309044538 491143351 /nfs/dbraw/zinc/14/33/51/491143351.db2.gz NMJIUGIGSYGEIR-NWDGAFQWSA-N 2 0 214.353 1.485 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H](C[NH3+])C1CC1 ZINC000578422699 366563432 /nfs/dbraw/zinc/56/34/32/366563432.db2.gz SWCMNPMOBCAASY-KWCYVHTRSA-N 2 0 239.407 1.624 20 0 BDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H](C[NH3+])C1CC1 ZINC000578422698 366563948 /nfs/dbraw/zinc/56/39/48/366563948.db2.gz SWCMNPMOBCAASY-BNOWGMLFSA-N 2 0 239.407 1.624 20 0 BDADRP C[C@@H]([N@H+](C)CCN1CC[NH2+]CC1)C1(C)CC1 ZINC000087364882 359908272 /nfs/dbraw/zinc/90/82/72/359908272.db2.gz NAEFPQGHAIOFTL-GFCCVEGCSA-N 2 0 225.380 1.012 20 0 BDADRP Cc1ccc(C[NH2+]CCCC[NH+](C)C)nc1 ZINC000087782358 359927833 /nfs/dbraw/zinc/92/78/33/359927833.db2.gz BRFHXXGXQDFFJO-UHFFFAOYSA-N 2 0 221.348 1.821 20 0 BDADRP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000578549639 366597736 /nfs/dbraw/zinc/59/77/36/366597736.db2.gz UNPJMOQACMBHGW-LPWJVIDDSA-N 2 0 226.364 1.804 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000578626325 366612927 /nfs/dbraw/zinc/61/29/27/366612927.db2.gz JPBWYGBZEUMTNG-YFKTTZPYSA-N 3 0 213.369 1.090 20 0 BDADRP COCC1(CC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000578892938 366669997 /nfs/dbraw/zinc/66/99/97/366669997.db2.gz FLDASGQJXYYAMN-RYUDHWBXSA-N 2 0 226.364 1.533 20 0 BDADRP CC[NH+](CC)CCCN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089139586 359992127 /nfs/dbraw/zinc/99/21/27/359992127.db2.gz OENQHAOQCVKYOV-ZIAGYGMSSA-N 2 0 241.423 1.825 20 0 BDADRP CCC[NH+]1CCC(N[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089147960 359993754 /nfs/dbraw/zinc/99/37/54/359993754.db2.gz GJSFYLZRJJHUBJ-TZMCWYRMSA-N 2 0 239.407 1.578 20 0 BDADRP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089147339 359993075 /nfs/dbraw/zinc/99/30/75/359993075.db2.gz OLFGNJKRKJXQKB-GXTWGEPZSA-N 2 0 234.343 1.912 20 0 BDADRP C[N@@H+]1CC[C@@H]([NH2+][C@@H](CO)CC2CC2)CC1(C)C ZINC000623472213 360048188 /nfs/dbraw/zinc/04/81/88/360048188.db2.gz ILIUDPLBKDPTTP-CHWSQXEVSA-N 2 0 240.391 1.610 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000089150285 359994311 /nfs/dbraw/zinc/99/43/11/359994311.db2.gz ODBRJVSZRVNVBY-ZYHUDNBSSA-N 2 0 248.326 1.632 20 0 BDADRP Cc1cc(C[NH2+]CC2CC[NH+](C)CC2)n(C)n1 ZINC000089183509 359998027 /nfs/dbraw/zinc/99/80/27/359998027.db2.gz ARFVPMBEGUTTDA-UHFFFAOYSA-N 2 0 236.363 1.160 20 0 BDADRP COC[C@H](C)[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000090585451 360078951 /nfs/dbraw/zinc/07/89/51/360078951.db2.gz XSDMVWLOTYMMDP-UONOGXRCSA-N 2 0 242.407 1.979 20 0 BDADRP CC[C@@H](C)C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000093055851 360213620 /nfs/dbraw/zinc/21/36/20/360213620.db2.gz ACRQDLIKISWPEC-CYBMUJFWSA-N 2 0 241.423 1.648 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN(C)CC1([NH+](C)C)CCC1 ZINC000097937300 360383734 /nfs/dbraw/zinc/38/37/34/360383734.db2.gz KEFOPOUXCTVKJT-CYBMUJFWSA-N 2 0 241.423 1.776 20 0 BDADRP CC(C)(C)[NH2+]CCN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000414664930 200757005 /nfs/dbraw/zinc/75/70/05/200757005.db2.gz DBACGNLZBITYMC-SRVKXCTJSA-N 2 0 225.380 1.044 20 0 BDADRP CCn1nccc1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414852614 200770525 /nfs/dbraw/zinc/77/05/25/200770525.db2.gz QIQSJZMSCLBIMQ-LBPRGKRZSA-N 2 0 236.363 1.382 20 0 BDADRP COCCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000415099718 200793546 /nfs/dbraw/zinc/79/35/46/200793546.db2.gz HGFNJNXHPYBPCA-UHFFFAOYSA-N 2 0 200.326 1.130 20 0 BDADRP C[C@H](CC1CCOCC1)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629408130 361056112 /nfs/dbraw/zinc/05/61/12/361056112.db2.gz QMICPQXGFWOAMU-NTZNESFSSA-N 2 0 226.364 1.532 20 0 BDADRP [NH3+]C1(C[NH2+]CC2CCCCC2)CCOCC1 ZINC000629389067 361035227 /nfs/dbraw/zinc/03/52/27/361035227.db2.gz WZEGVEYKMRYNLD-UHFFFAOYSA-N 2 0 226.364 1.664 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000629388335 361039812 /nfs/dbraw/zinc/03/98/12/361039812.db2.gz MWGLVLGJINWPJN-XDQVBPFNSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@@H](CC1CCC1)[NH2+]CC1([NH3+])CCOCC1 ZINC000629387854 361040298 /nfs/dbraw/zinc/04/02/98/361040298.db2.gz LKIWGRNDQCPJKJ-NSHDSACASA-N 2 0 226.364 1.663 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CCCCC1(C)C ZINC000629392499 361040984 /nfs/dbraw/zinc/04/09/84/361040984.db2.gz PPYGCRAYZVDJSW-GFCCVEGCSA-N 2 0 228.380 1.781 20 0 BDADRP CCCC[C@@H](C)[NH2+]CCOCC[NH2+]C ZINC000629392274 361041347 /nfs/dbraw/zinc/04/13/47/361041347.db2.gz KOZMHVRZTQAHLD-LLVKDONJSA-N 2 0 202.342 1.391 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H]1CCC[C@@H]1C ZINC000629391952 361041416 /nfs/dbraw/zinc/04/14/16/361041416.db2.gz FXHLCWOWISXFIO-QWRGUYRKSA-N 2 0 200.326 1.001 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@@H]1CCCC[C@@H]1C ZINC000629392667 361041941 /nfs/dbraw/zinc/04/19/41/361041941.db2.gz RRHBUQBIJHLUGN-NWDGAFQWSA-N 2 0 214.353 1.391 20 0 BDADRP Cc1cc(F)ccc1C[NH2+]CCOCCC[NH3+] ZINC000629398943 361046978 /nfs/dbraw/zinc/04/69/78/361046978.db2.gz KABYCUWXJQJILT-UHFFFAOYSA-N 2 0 240.322 1.589 20 0 BDADRP [NH3+]CCCOCC[NH2+]Cc1ccccc1Cl ZINC000629397750 361047711 /nfs/dbraw/zinc/04/77/11/361047711.db2.gz CIHJZWGHMDXBQU-UHFFFAOYSA-N 2 0 242.750 1.795 20 0 BDADRP CC1CCC([NH2+]CCOCCC[NH3+])CC1 ZINC000629398297 361048619 /nfs/dbraw/zinc/04/86/19/361048619.db2.gz RBSKHKYSOVPQBI-UHFFFAOYSA-N 2 0 214.353 1.520 20 0 BDADRP CCc1ncc(C[NH2+]CCOCCC[NH3+])s1 ZINC000629399143 361048651 /nfs/dbraw/zinc/04/86/51/361048651.db2.gz MNXUUQIQPDFINQ-UHFFFAOYSA-N 2 0 243.376 1.161 20 0 BDADRP [NH3+]CCCOCC[NH2+]C1CCCCC1 ZINC000629398587 361048784 /nfs/dbraw/zinc/04/87/84/361048784.db2.gz VLWXOSGCMHNKCG-UHFFFAOYSA-N 2 0 200.326 1.274 20 0 BDADRP CCC[C@H](C)C[NH2+]CCOCCC[NH3+] ZINC000629398283 361048833 /nfs/dbraw/zinc/04/88/33/361048833.db2.gz QIIKZUMHHZCCNE-NSHDSACASA-N 2 0 202.342 1.378 20 0 BDADRP Cc1cc(C[NH2+]CCOCCC[NH3+])c(C)s1 ZINC000629398354 361049028 /nfs/dbraw/zinc/04/90/28/361049028.db2.gz BSWONSOTSZRVQL-UHFFFAOYSA-N 2 0 242.388 1.820 20 0 BDADRP C[C@H]1CC([NH2+]CCOCCC[NH3+])C[C@H](C)C1 ZINC000629398353 361049498 /nfs/dbraw/zinc/04/94/98/361049498.db2.gz BSAFLCOZRULZCO-VXGBXAGGSA-N 2 0 228.380 1.766 20 0 BDADRP C[C@@H]([NH2+]CC(C)(C)CCO)C1CC[NH+](C)CC1 ZINC000224396769 491154323 /nfs/dbraw/zinc/15/43/23/491154323.db2.gz KIZCITHXDFEBSH-GFCCVEGCSA-N 2 0 242.407 1.715 20 0 BDADRP CCCC[C@H](COC)[NH2+]CC1([NH3+])CCOCC1 ZINC000629521394 361117756 /nfs/dbraw/zinc/11/77/56/361117756.db2.gz OUFPUFUNRWHPNU-GFCCVEGCSA-N 2 0 244.379 1.289 20 0 BDADRP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629518710 361118808 /nfs/dbraw/zinc/11/88/08/361118808.db2.gz BPULNPOMQJSRRR-VXGBXAGGSA-N 2 0 240.391 1.909 20 0 BDADRP CCC[C@H](C)CCCN1CCO[C@H](C[NH3+])C1 ZINC000629519554 361120807 /nfs/dbraw/zinc/12/08/07/361120807.db2.gz UNUDWYMXXACBSN-QWHCGFSZSA-N 2 0 228.380 1.862 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CC[C@@H]1CCCOC1 ZINC000629509693 361103453 /nfs/dbraw/zinc/10/34/53/361103453.db2.gz HWIQAIWKBWKLAY-STQMWFEESA-N 2 0 244.379 1.147 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000629512526 361107500 /nfs/dbraw/zinc/10/75/00/361107500.db2.gz CRHBWPWWLQCXIE-NWDGAFQWSA-N 3 0 225.380 1.378 20 0 BDADRP Cc1cccc2c1C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)CO2 ZINC000629513910 361111471 /nfs/dbraw/zinc/11/14/71/361111471.db2.gz JBPCGGZYJDFMLD-WCQYABFASA-N 2 0 246.354 1.496 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)C1CCOCC1 ZINC000629526181 361128361 /nfs/dbraw/zinc/12/83/61/361128361.db2.gz MKMXXDORQKJTJV-KGYLQXTDSA-N 2 0 226.364 1.532 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000629528193 361133086 /nfs/dbraw/zinc/13/30/86/361133086.db2.gz RUDRBQDBGWZALI-ZDEQEGDKSA-N 2 0 226.364 1.674 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000629528081 361135157 /nfs/dbraw/zinc/13/51/57/361135157.db2.gz OQUGYRVHOWRNJT-LXTVHRRPSA-N 2 0 245.370 1.861 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@H]1CCOC ZINC000629528457 361136591 /nfs/dbraw/zinc/13/65/91/361136591.db2.gz ZPIQQDHNXRCKAF-IGQOVBAYSA-N 2 0 240.391 1.922 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc(C)cc1 ZINC000629529183 361138255 /nfs/dbraw/zinc/13/82/55/361138255.db2.gz UQZXBQMPAIKFJY-CYBMUJFWSA-N 2 0 236.359 1.882 20 0 BDADRP CC[C@@H](C)[C@H](C)[NH2+]CCOCC[NH2+]C ZINC000629529285 361138819 /nfs/dbraw/zinc/13/88/19/361138819.db2.gz XTCZQOPBWSJRBQ-MNOVXSKESA-N 2 0 202.342 1.247 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H](C1CC1)C1CCCC1 ZINC000629530355 361144368 /nfs/dbraw/zinc/14/43/68/361144368.db2.gz DJLBMZICYFHXBL-AWEZNQCLSA-N 2 0 240.391 1.781 20 0 BDADRP CC[C@H]([NH2+]CCOCC[NH2+]C)c1ccncc1 ZINC000629530316 361144461 /nfs/dbraw/zinc/14/44/61/361144461.db2.gz CJBZQPWGBQNSES-ZDUSSCGKSA-N 2 0 237.347 1.358 20 0 BDADRP C[NH2+]CCOCC[NH2+][C@H]1CCCC12CCC2 ZINC000629530560 361144499 /nfs/dbraw/zinc/14/44/99/361144499.db2.gz JUTDGGLJSHPPJR-LBPRGKRZSA-N 2 0 226.364 1.535 20 0 BDADRP CC[C@H]([NH2+]CC1([NH3+])CCOCC1)[C@@H]1C[C@@H]1C ZINC000629522291 361123336 /nfs/dbraw/zinc/12/33/36/361123336.db2.gz ZGLALCHDFXXKLR-TUAOUCFPSA-N 2 0 226.364 1.519 20 0 BDADRP CC(C)CC[C@H](CO)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000629525162 361125560 /nfs/dbraw/zinc/12/55/60/361125560.db2.gz WKSRKAGPPFIVIZ-JHJVBQTASA-N 2 0 228.380 1.643 20 0 BDADRP CC(C)CC[C@H](CO)[NH2+][C@@H](C)CCCC[NH3+] ZINC000629525352 361125714 /nfs/dbraw/zinc/12/57/14/361125714.db2.gz XWWOSZNCVKWUNP-QWHCGFSZSA-N 2 0 230.396 1.891 20 0 BDADRP Cc1nocc1CN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000631218867 361181857 /nfs/dbraw/zinc/18/18/57/361181857.db2.gz IYXYAANQEZHVEI-LBPRGKRZSA-N 2 0 237.347 1.945 20 0 BDADRP CC[N@@H+]1CC[C@H](NCC[C@H](C)[NH3+])[C@@H](C)C1 ZINC000622045685 370679876 /nfs/dbraw/zinc/67/98/76/370679876.db2.gz OFNKNZHENGEGKZ-SRVKXCTJSA-N 2 0 213.369 1.044 20 0 BDADRP C[C@H]([NH3+])CCNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000429036869 201060398 /nfs/dbraw/zinc/06/03/98/201060398.db2.gz VBUSQNSJTWGBLB-SRVKXCTJSA-N 2 0 241.379 1.138 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CC[C@@](C)(O)C1 ZINC000191804517 361366141 /nfs/dbraw/zinc/36/61/41/361366141.db2.gz VGCSBSRCDYPMNB-GFCCVEGCSA-N 2 0 214.353 1.175 20 0 BDADRP CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]C)[NH+](CC)CC ZINC000429220710 201081073 /nfs/dbraw/zinc/08/10/73/201081073.db2.gz HLMXVKYWFXYIDV-RYUDHWBXSA-N 2 0 243.395 1.079 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CC[C@@H](C)NC1 ZINC000629535903 361397998 /nfs/dbraw/zinc/39/79/98/361397998.db2.gz DHZNECDGRHYESE-UTUOFQBUSA-N 2 0 213.369 1.234 20 0 BDADRP [NH3+]C1(C[NH2+]CCCOCC(F)(F)F)CCC1 ZINC000342121838 181332644 /nfs/dbraw/zinc/33/26/44/181332644.db2.gz GWLWXZHHXWXWMZ-UHFFFAOYSA-N 2 0 240.269 1.426 20 0 BDADRP CC[C@H](C[N@@H+]1CC[C@@H](c2nccn2C)C1)OC ZINC000579369396 366771121 /nfs/dbraw/zinc/77/11/21/366771121.db2.gz BEPXPNWYRPTVHJ-VXGBXAGGSA-N 2 0 237.347 1.634 20 0 BDADRP C[C@H](O)CCC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429560505 201114421 /nfs/dbraw/zinc/11/44/21/201114421.db2.gz ZHVXYBQCALZFQP-QWHCGFSZSA-N 2 0 228.380 1.564 20 0 BDADRP CCO[C@@H]1C[C@H](N[C@@H]2CC[NH2+][C@H]2C)C1(C)C ZINC000629543536 361411315 /nfs/dbraw/zinc/41/13/15/361411315.db2.gz BHJDSNKUZWQSHZ-WHOHXGKFSA-N 2 0 226.364 1.530 20 0 BDADRP C[C@H]([NH2+]CCOCCC[NH3+])C1CCCCC1 ZINC000629540383 361414441 /nfs/dbraw/zinc/41/44/41/361414441.db2.gz PBUYCRKXDYOEHT-LBPRGKRZSA-N 2 0 228.380 1.910 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc[nH]c1=O ZINC000629546801 361429110 /nfs/dbraw/zinc/42/91/10/361429110.db2.gz PWUZVQIWDKUCSX-PWSUYJOCSA-N 2 0 235.331 1.265 20 0 BDADRP CC[N@@H+]1CC[C@@H](N[C@@H]2CC[NH2+][C@H]2C)[C@@H](C)C1 ZINC000629548536 361434301 /nfs/dbraw/zinc/43/43/01/361434301.db2.gz PTNUQWNZLLQLKZ-WUHRBBMRSA-N 2 0 225.380 1.057 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CO[C@@H](C3CC3)C2)C1 ZINC000629548927 361434324 /nfs/dbraw/zinc/43/43/24/361434324.db2.gz OLFZUHWARZYFAK-YVECIDJPSA-N 2 0 224.348 1.413 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@@H](C)C[C@@H](C)[NH3+])C1 ZINC000629554619 361437111 /nfs/dbraw/zinc/43/71/11/361437111.db2.gz KVQOJACLCLJAAU-YTWAJWBKSA-N 2 0 200.326 1.127 20 0 BDADRP FCCC[C@H]1CCC[C@@H]1[NH2+][C@@H]1CC[NH2+]C1 ZINC000629553191 361437852 /nfs/dbraw/zinc/43/78/52/361437852.db2.gz NLKILTPBWONLSC-UTUOFQBUSA-N 2 0 214.328 1.856 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCCC12CC2 ZINC000629553565 361438929 /nfs/dbraw/zinc/43/89/29/361438929.db2.gz ADQRSDAYZKJAOO-CHWSQXEVSA-N 2 0 240.391 1.910 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000629554237 361439994 /nfs/dbraw/zinc/43/99/94/361439994.db2.gz GFTYIFYIAVYXDS-NNYUYHANSA-N 2 0 212.337 1.142 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000629554355 361441924 /nfs/dbraw/zinc/44/19/24/361441924.db2.gz HYHXPJGKRGDGJE-WUHRBBMRSA-N 2 0 226.364 1.532 20 0 BDADRP CCO[C@H](C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C)C1CC1 ZINC000629550545 361443093 /nfs/dbraw/zinc/44/30/93/361443093.db2.gz ZEMIMVZAXGQMFV-RAIGVLPGSA-N 2 0 226.364 1.613 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000629554502 361443312 /nfs/dbraw/zinc/44/33/12/361443312.db2.gz JXSXJRJQXVERBR-NNYUYHANSA-N 2 0 212.337 1.271 20 0 BDADRP CC(C)COCCC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000163293204 361445372 /nfs/dbraw/zinc/44/53/72/361445372.db2.gz PWUVZFLIQLMXJC-KGLIPLIRSA-N 2 0 242.407 1.979 20 0 BDADRP CC(C)COCCC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000163293317 361445409 /nfs/dbraw/zinc/44/54/09/361445409.db2.gz PWUVZFLIQLMXJC-KBPBESRZSA-N 2 0 242.407 1.979 20 0 BDADRP CCn1cc([C@H](C)N[C@H]2CC[C@@H](C)[NH2+]C2)cn1 ZINC000629541542 361416330 /nfs/dbraw/zinc/41/63/30/361416330.db2.gz WEGVHQKDJLJILU-MDZLAQPJSA-N 2 0 236.363 1.694 20 0 BDADRP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629542200 361418078 /nfs/dbraw/zinc/41/80/78/361418078.db2.gz WPNGVMWMSLMKLL-DOMZBBRYSA-N 2 0 248.370 1.875 20 0 BDADRP Cc1cccc2c1CC[C@H]2[NH2+]CCOCCC[NH3+] ZINC000629542263 361419059 /nfs/dbraw/zinc/41/90/59/361419059.db2.gz XGQLADBIUCYYCM-OAHLLOKOSA-N 2 0 248.370 1.937 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]CCOCCC[NH3+])C1(C)C ZINC000629542512 361419462 /nfs/dbraw/zinc/41/94/62/361419462.db2.gz ZQBHZVNURAJEFY-NWDGAFQWSA-N 2 0 244.379 1.145 20 0 BDADRP C[NH2+]CCOCC[N@H+](C)Cc1ncccc1C ZINC000629572422 361463670 /nfs/dbraw/zinc/46/36/70/361463670.db2.gz SGEWJXJZGIUJTH-UHFFFAOYSA-N 2 0 237.347 1.058 20 0 BDADRP Cc1cc(C[N@H+](C)CCOCC[NH3+])c(C)s1 ZINC000629578178 361465200 /nfs/dbraw/zinc/46/52/00/361465200.db2.gz HJZZQDULGVIQAZ-UHFFFAOYSA-N 2 0 242.388 1.772 20 0 BDADRP C[C@@H](O)CC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000082993004 491158280 /nfs/dbraw/zinc/15/82/80/491158280.db2.gz CNWPGQWOMQWXEA-GHMZBOCLSA-N 2 0 214.353 1.077 20 0 BDADRP C/C=C/C[C@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000629595550 361481845 /nfs/dbraw/zinc/48/18/45/361481845.db2.gz SCWMEBMKVUNXFC-IBUXWKBASA-N 2 0 226.364 1.640 20 0 BDADRP [NH3+]C[C@@H]1C[N@H+](CCCF)CC[C@H]1C(F)(F)F ZINC000629563363 361454587 /nfs/dbraw/zinc/45/45/87/361454587.db2.gz PKVORAMNVJSYNI-RKDXNWHRSA-N 2 0 242.260 1.805 20 0 BDADRP CC[C@@H](C(=O)Nc1cccc(C[NH2+]C)c1)[NH+](C)C ZINC000629610781 361500366 /nfs/dbraw/zinc/50/03/66/361500366.db2.gz IGTKQDFGSHQMEL-ZDUSSCGKSA-N 2 0 249.358 1.685 20 0 BDADRP CC(C)[C@@H](C)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000151810937 201183182 /nfs/dbraw/zinc/18/31/82/201183182.db2.gz ZJGSYHQRXRQEHX-GFCCVEGCSA-N 2 0 228.380 1.325 20 0 BDADRP CC[C@@H](C)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000151852192 201186189 /nfs/dbraw/zinc/18/61/89/201186189.db2.gz PPVIVKJETHCHKT-LLVKDONJSA-N 2 0 214.353 1.079 20 0 BDADRP CC[C@@H]([NH2+]CCC[NH+](C)C)[C@H]1CCOC1 ZINC000151948537 201187409 /nfs/dbraw/zinc/18/74/09/201187409.db2.gz AJPIRVXVIHYVEJ-NWDGAFQWSA-N 2 0 214.353 1.343 20 0 BDADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC1=CCCOC1 ZINC000629646806 361535276 /nfs/dbraw/zinc/53/52/76/361535276.db2.gz FDQRENKHNGAKRU-CMPLNLGQSA-N 2 0 210.321 1.002 20 0 BDADRP CC1([NH3+])CC[NH+](CC2=CCCOC2)CC1 ZINC000629647212 361536216 /nfs/dbraw/zinc/53/62/16/361536216.db2.gz MORGOAZPLAEDMP-UHFFFAOYSA-N 2 0 210.321 1.146 20 0 BDADRP COC1(C[NH+]2CCC(C)([NH3+])CC2)CCCC1 ZINC000629647308 361536222 /nfs/dbraw/zinc/53/62/22/361536222.db2.gz QGQXVWSABXQLQD-UHFFFAOYSA-N 2 0 226.364 1.759 20 0 BDADRP COCCCC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152407825 201197296 /nfs/dbraw/zinc/19/72/96/201197296.db2.gz GMXVEPPFVIKQBT-CYBMUJFWSA-N 2 0 228.380 1.687 20 0 BDADRP Cc1cnccc1C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000629647777 361537866 /nfs/dbraw/zinc/53/78/66/361537866.db2.gz IRGZOKXKGRRSKN-AWEZNQCLSA-N 2 0 233.359 1.869 20 0 BDADRP C[NH2+]CCCNCC1=Cc2ccccc2OC1 ZINC000629647617 361537998 /nfs/dbraw/zinc/53/79/98/361537998.db2.gz BMPXPKPZMWIBEC-UHFFFAOYSA-N 2 0 232.327 1.662 20 0 BDADRP COC1(C[NH+]2CCC3(CC[NH2+]3)CC2)CCCC1 ZINC000629648087 361538850 /nfs/dbraw/zinc/53/88/50/361538850.db2.gz GYKRGLTUXNKMMG-UHFFFAOYSA-N 2 0 238.375 1.774 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]CC1=Cc2ccccc2OC1 ZINC000629648103 361539341 /nfs/dbraw/zinc/53/93/41/361539341.db2.gz OJEMDLCFOHLZJI-LLVKDONJSA-N 2 0 232.327 1.647 20 0 BDADRP Cc1cnccc1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000629648638 361541651 /nfs/dbraw/zinc/54/16/51/361541651.db2.gz XXMVFMDJSASMMA-TZMCWYRMSA-N 2 0 233.359 1.868 20 0 BDADRP C[C@H]1C[C@H]([NH2+]Cc2ccn(C)c2)CC[NH2+]1 ZINC000629649317 361545197 /nfs/dbraw/zinc/54/51/97/361545197.db2.gz PPCFLIIINHMAAN-CMPLNLGQSA-N 2 0 207.321 1.255 20 0 BDADRP C[C@H]1CCC[N@H+](CC2=CCCOC2)[C@H]1CC[NH3+] ZINC000629650554 361547502 /nfs/dbraw/zinc/54/75/02/361547502.db2.gz VYTGZDOGCHKYDS-JSGCOSHPSA-N 2 0 238.375 1.782 20 0 BDADRP Cc1cnccc1C[NH2+]CCC1(C[NH3+])CC1 ZINC000629650693 361548273 /nfs/dbraw/zinc/54/82/73/361548273.db2.gz ZJRHOXJLPQMLCP-UHFFFAOYSA-N 2 0 219.332 1.609 20 0 BDADRP CCC[N@H+](CC1=CCCOC1)C1CC[NH2+]CC1 ZINC000629652043 361549678 /nfs/dbraw/zinc/54/96/78/361549678.db2.gz UFZJLYXLRPTZDD-UHFFFAOYSA-N 2 0 238.375 1.797 20 0 BDADRP Cn1ccc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000629653323 361553324 /nfs/dbraw/zinc/55/33/24/361553324.db2.gz ICYWWEMGNWISNW-GFCCVEGCSA-N 2 0 221.348 1.586 20 0 BDADRP C([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@@H]1CCSC1 ZINC000629651011 361555825 /nfs/dbraw/zinc/55/58/25/361555825.db2.gz NOIIQGKARIPXQM-WDEREUQCSA-N 2 0 226.389 1.614 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccn(C)c2)C1 ZINC000629651453 361556919 /nfs/dbraw/zinc/55/69/19/361556919.db2.gz GOWXTRKZZCFJAY-NSHDSACASA-N 2 0 207.321 1.066 20 0 BDADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC2=CCCOC2)C1 ZINC000629651820 361557031 /nfs/dbraw/zinc/55/70/31/361557031.db2.gz KSTXVHOUUANYMK-DGCLKSJQSA-N 2 0 224.348 1.392 20 0 BDADRP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CC[C@H]1CCOC1)C2 ZINC000629661596 361594419 /nfs/dbraw/zinc/59/44/19/361594419.db2.gz BMXQGJDEHFWWKR-MELADBBJSA-N 2 0 238.375 1.344 20 0 BDADRP C[N@H+](CCOCC[NH3+])Cc1coc2ccccc12 ZINC000629664831 361596892 /nfs/dbraw/zinc/59/68/92/361596892.db2.gz SCWGBZDWOYXCPU-UHFFFAOYSA-N 2 0 248.326 1.840 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CC1=CCCOC1 ZINC000379737407 361574691 /nfs/dbraw/zinc/57/46/91/361574691.db2.gz RLTUHULNWLSGSE-LLVKDONJSA-N 2 0 212.337 1.440 20 0 BDADRP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CC1=CCCOC1)C2 ZINC000629666871 361588862 /nfs/dbraw/zinc/58/88/62/361588862.db2.gz OLODDTWZMBYAOH-OKILXGFUSA-N 2 0 236.359 1.265 20 0 BDADRP CCC(CC)(C[NH3+])C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000434703267 201237181 /nfs/dbraw/zinc/23/71/81/201237181.db2.gz RJRNVILLDGNINW-MNOVXSKESA-N 2 0 241.379 1.008 20 0 BDADRP CC[C@H](C)[NH2+]CCCN1CC[NH+](CC)CC1 ZINC000154296399 201272997 /nfs/dbraw/zinc/27/29/97/201272997.db2.gz VXWXIGFDUIJDJY-ZDUSSCGKSA-N 2 0 227.396 1.402 20 0 BDADRP c1nn(C2CC[NH2+]CC2)cc1C1=CC[NH2+]CC1 ZINC000629723612 361665990 /nfs/dbraw/zinc/66/59/90/361665990.db2.gz QLCBEXSDTPTYJU-UHFFFAOYSA-N 2 0 232.331 1.184 20 0 BDADRP CC[N@H+](CCOC(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435623106 201279194 /nfs/dbraw/zinc/27/91/94/201279194.db2.gz BUNRMZFTNRJROX-ZDUSSCGKSA-N 2 0 228.380 1.875 20 0 BDADRP CC[C@](C)(O)CN1CCC[C@H]([NH2+]C(C)C)C1 ZINC000310013249 491160101 /nfs/dbraw/zinc/16/01/01/491160101.db2.gz JPTRNZPWMUKYNA-STQMWFEESA-N 2 0 228.380 1.610 20 0 BDADRP c1cc2c(c(C3=CC[NH2+]CC3)c1)C[NH2+]C2 ZINC000629722492 361662677 /nfs/dbraw/zinc/66/26/77/361662677.db2.gz BBNRMNILUPIEJW-UHFFFAOYSA-N 2 0 200.285 1.667 20 0 BDADRP C[NH2+]CCC[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000435886407 201296530 /nfs/dbraw/zinc/29/65/30/201296530.db2.gz WYEWLMUJKFRTAR-UHFFFAOYSA-N 2 0 222.336 1.199 20 0 BDADRP C[NH2+]CCC[NH+]1CCC(n2ccnc2)CC1 ZINC000435885289 201294809 /nfs/dbraw/zinc/29/48/09/201294809.db2.gz IGSPCJNRFQLTKT-UHFFFAOYSA-N 2 0 222.336 1.130 20 0 BDADRP CCN1C[C@@H](C)[C@@H]([NH2+]CC2(N(C)C)CCC2)C1 ZINC000437107528 201344385 /nfs/dbraw/zinc/34/43/85/201344385.db2.gz PPPWGUYDTXOXFT-OLZOCXBDSA-N 2 0 239.407 1.401 20 0 BDADRP COC[C@@H](CC(C)C)[NH2+]C1CCC([NH3+])CC1 ZINC000437783323 201372171 /nfs/dbraw/zinc/37/21/71/201372171.db2.gz ZTZVACKNLKVBJR-WXRRBKDZSA-N 2 0 228.380 1.907 20 0 BDADRP C[N@H+](CC[C@H]1CCOC1)C[C@H]1CCC[NH+](C)C1 ZINC000437589852 201359199 /nfs/dbraw/zinc/35/91/99/201359199.db2.gz LBNRVCKJASMIDI-KBPBESRZSA-N 2 0 240.391 1.687 20 0 BDADRP C[NH+](C)C1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000437586147 201360687 /nfs/dbraw/zinc/36/06/87/201360687.db2.gz XLVRLTNYSQXEJZ-GFCCVEGCSA-N 2 0 226.364 1.439 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+](CC[C@H]2CCOC2)C1 ZINC000438090049 201387977 /nfs/dbraw/zinc/38/79/77/201387977.db2.gz ACUGZUOHKYGAMX-KBPBESRZSA-N 2 0 240.391 1.687 20 0 BDADRP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCOC1(C)C ZINC000328263985 363871405 /nfs/dbraw/zinc/87/14/05/363871405.db2.gz SRLONQARLCRWIM-LBPRGKRZSA-N 2 0 228.380 1.874 20 0 BDADRP [NH3+]CC1CC[NH+](Cc2cn3ccccc3n2)CC1 ZINC000019843451 181364797 /nfs/dbraw/zinc/36/47/97/181364797.db2.gz VFWRSOKPGSDPMV-UHFFFAOYSA-N 2 0 244.342 1.505 20 0 BDADRP [NH3+]CC1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000082581720 181365898 /nfs/dbraw/zinc/36/58/98/181365898.db2.gz SWIBJWZAAIPVGA-LBPRGKRZSA-N 2 0 212.337 1.084 20 0 BDADRP COC[C@H](N[C@H]1CC[C@H](C)[NH2+]C1)C(C)C ZINC000399034781 364737162 /nfs/dbraw/zinc/73/71/62/364737162.db2.gz NYTGSNGTZSYPCK-SRVKXCTJSA-N 2 0 214.353 1.388 20 0 BDADRP COC[C@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)C(C)C ZINC000399034783 364737618 /nfs/dbraw/zinc/73/76/18/364737618.db2.gz NYTGSNGTZSYPCK-UTUOFQBUSA-N 2 0 214.353 1.388 20 0 BDADRP CC[N@@H+]1CC[C@H](NC2CC[NH+](CC)CC2)C1 ZINC000336896601 364841842 /nfs/dbraw/zinc/84/18/42/364841842.db2.gz ODHGUKWVKYAIKN-ZDUSSCGKSA-N 2 0 225.380 1.155 20 0 BDADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCS[C@H](C(C)C)C1 ZINC000573570873 364864636 /nfs/dbraw/zinc/86/46/36/364864636.db2.gz NGGRZGOCPKHKIK-NWDGAFQWSA-N 2 0 246.420 1.030 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@](C)(CC)C1 ZINC000573574293 364866069 /nfs/dbraw/zinc/86/60/69/364866069.db2.gz QXCKUYGKNICCPR-UONOGXRCSA-N 2 0 242.407 1.811 20 0 BDADRP [NH3+]C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)C1CCCCC1 ZINC000573742418 364908360 /nfs/dbraw/zinc/90/83/60/364908360.db2.gz VFLYYESULPKSRJ-IHRRRGAJSA-N 2 0 239.407 1.754 20 0 BDADRP [NH3+]CCCCCCC(=O)N1CCCC[C@H]1C[NH3+] ZINC000237968219 181373808 /nfs/dbraw/zinc/37/38/08/181373808.db2.gz HHEZXYLUOYJEAM-LBPRGKRZSA-N 2 0 241.379 1.235 20 0 BDADRP CCC1CC([NH2+]CCC[N@H+](C)CCOC)C1 ZINC000336737736 541407122 /nfs/dbraw/zinc/40/71/22/541407122.db2.gz NUFJKEYUFFLYJE-UHFFFAOYSA-N 2 0 228.380 1.733 20 0 BDADRP [NH3+]CCCC[N@@H+]1CCc2sccc2C1 ZINC000020072133 181375949 /nfs/dbraw/zinc/37/59/49/181375949.db2.gz GYIYBZJXVQOJGC-UHFFFAOYSA-N 2 0 210.346 1.845 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H]2CNCC[C@H]2C)CC1 ZINC000574188351 365006916 /nfs/dbraw/zinc/00/69/16/365006916.db2.gz BBJVXDOILGNKQP-OCCSQVGLSA-N 2 0 239.407 1.306 20 0 BDADRP CC[C@@H]([NH3+])CNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000574384429 365048178 /nfs/dbraw/zinc/04/81/78/365048178.db2.gz GNNUQXLRIJLSCI-OLZOCXBDSA-N 2 0 249.358 1.320 20 0 BDADRP [NH3+]CCC[NH2+][C@H]1CCCOc2ccccc21 ZINC000062610157 181383219 /nfs/dbraw/zinc/38/32/19/181383219.db2.gz HTUMTNMXKSUHDE-LBPRGKRZSA-N 2 0 220.316 1.839 20 0 BDADRP [NH3+]CCC[NH2+][C@H]1CCc2ccccc2C1 ZINC000037713788 181383451 /nfs/dbraw/zinc/38/34/51/181383451.db2.gz ULNDGTBGXBLEII-ZDUSSCGKSA-N 2 0 204.317 1.482 20 0 BDADRP C[C@H]([NH2+]Cc1cnc(N)s1)[C@@H]1CCC[NH2+]C1 ZINC000574276946 365026340 /nfs/dbraw/zinc/02/63/40/365026340.db2.gz KKVIKLPKVKMFSJ-DTWKUNHWSA-N 2 0 240.376 1.033 20 0 BDADRP [NH3+]CCN(Cc1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC000342436850 181390263 /nfs/dbraw/zinc/39/02/63/181390263.db2.gz PSGNYBDLJWLVAD-HNNXBMFYSA-N 2 0 247.386 1.447 20 0 BDADRP CC(C)[C@H](C[NH3+])C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000433129084 192985112 /nfs/dbraw/zinc/98/51/12/192985112.db2.gz YIMAOISMMMEXMT-GWCFXTLKSA-N 2 0 249.358 1.876 20 0 BDADRP [NH3+]CC[C@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000442928009 193005557 /nfs/dbraw/zinc/00/55/57/193005557.db2.gz PAWYIXSTWLJVJQ-CHWSQXEVSA-N 2 0 225.380 1.047 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3nc[nH]c3C2)C1 ZINC000575935032 365421716 /nfs/dbraw/zinc/42/17/16/365421716.db2.gz CNVSHRBEBNEZMW-GMTAPVOTSA-N 2 0 234.347 1.127 20 0 BDADRP CC[C@@H](C)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000172694039 365374818 /nfs/dbraw/zinc/37/48/18/365374818.db2.gz UBVMIBOGMGJRFP-CYBMUJFWSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCN(C(C)(C)C)C1=O ZINC000576041195 365459888 /nfs/dbraw/zinc/45/98/88/365459888.db2.gz TZXVAOGBQTUQIF-MNOVXSKESA-N 2 0 241.379 1.103 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(CO)o2)C1 ZINC000655827332 541482465 /nfs/dbraw/zinc/48/24/65/541482465.db2.gz SICOEDRAHRTVSW-PHIMTYICSA-N 2 0 238.331 1.202 20 0 BDADRP C[C@]1(CO)CCC[N@@H+]1Cc1cccc2nccn21 ZINC000580024273 367133000 /nfs/dbraw/zinc/13/30/00/367133000.db2.gz QPHOPKARHKLGAP-CQSZACIVSA-N 2 0 245.326 1.681 20 0 BDADRP C[C@@]1(CO)CCC[N@@H+]1Cc1cccc2nccn21 ZINC000580024272 367133591 /nfs/dbraw/zinc/13/35/91/367133591.db2.gz QPHOPKARHKLGAP-AWEZNQCLSA-N 2 0 245.326 1.681 20 0 BDADRP COCC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185702393 367140779 /nfs/dbraw/zinc/14/07/79/367140779.db2.gz ZRNOQLKCFAGNSP-QWHCGFSZSA-N 2 0 240.391 1.875 20 0 BDADRP Cc1nccn1CCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000580963631 367220887 /nfs/dbraw/zinc/22/08/87/367220887.db2.gz VDDQLHKLHWDXDE-CHWSQXEVSA-N 2 0 236.363 1.441 20 0 BDADRP C[NH+](C)CC[C@@H]([NH2+]CC1(O)CCC1)C(C)(C)C ZINC000581305438 367333421 /nfs/dbraw/zinc/33/34/21/367333421.db2.gz IRDOPAKBDVLFIY-GFCCVEGCSA-N 2 0 242.407 1.857 20 0 BDADRP CC[C@@H]1C[N@H+](C)CCN1c1ncnc2[nH]ccc21 ZINC000581323058 367349006 /nfs/dbraw/zinc/34/90/06/367349006.db2.gz PUWDBVQBKVHVNQ-SNVBAGLBSA-N 2 0 245.330 1.488 20 0 BDADRP C[C@H](O)[C@H](C)[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000581603418 367627755 /nfs/dbraw/zinc/62/77/55/367627755.db2.gz WHAJSVSLGXFFGU-ZSVAQUKISA-N 2 0 228.380 1.466 20 0 BDADRP C[C@@H]([NH2+]C1CCC(C[NH+](C)C)CC1)[C@H](C)O ZINC000581603415 367627981 /nfs/dbraw/zinc/62/79/81/367627981.db2.gz WHAJSVSLGXFFGU-IALDZJHCSA-N 2 0 228.380 1.466 20 0 BDADRP C[C@@H]([NH3+])c1ccc(C(=O)N(C)[C@@H](C)C[NH3+])cc1 ZINC000581606628 367630181 /nfs/dbraw/zinc/63/01/81/367630181.db2.gz WPMOKASKPWKRIO-VHSXEESVSA-N 2 0 235.331 1.126 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(O)c1 ZINC000383635160 367646308 /nfs/dbraw/zinc/64/63/08/367646308.db2.gz AIQHEYSUTMGFEA-GXTWGEPZSA-N 2 0 234.343 1.999 20 0 BDADRP C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)[C@@H]1CCCO1 ZINC000383971677 367665496 /nfs/dbraw/zinc/66/54/96/367665496.db2.gz IQLSLQLDKYJJBJ-MJBXVCDLSA-N 2 0 238.375 1.487 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1CC2CCC1CC2 ZINC000384179735 367674271 /nfs/dbraw/zinc/67/42/71/367674271.db2.gz YZDDZPNFGMZSRS-CLRIEMFWSA-N 2 0 240.391 1.467 20 0 BDADRP C[C@@H](CN(C)C[C@H](O)C[NH3+])c1ccccc1 ZINC000384320567 367685189 /nfs/dbraw/zinc/68/51/89/367685189.db2.gz OOAMAFRDVUUMGE-WCQYABFASA-N 2 0 222.332 1.042 20 0 BDADRP CSCC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000068996877 370870856 /nfs/dbraw/zinc/87/08/56/370870856.db2.gz RALFKJHUCCXARE-SNVBAGLBSA-N 2 0 216.394 1.669 20 0 BDADRP C[C@@H]1CC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[NH2+]1 ZINC000399176049 367851857 /nfs/dbraw/zinc/85/18/57/367851857.db2.gz JUMAUHPUENDMIB-MQYQWHSLSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1CCOC1)[C@H]1CCCC[NH2+]1 ZINC000386104483 367912625 /nfs/dbraw/zinc/91/26/25/367912625.db2.gz KISCTQCXYBDGDA-YNEHKIRRSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000386136538 367917348 /nfs/dbraw/zinc/91/73/48/367917348.db2.gz PSJWPCNQLTZBIR-XQHKEYJVSA-N 2 0 226.364 1.674 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000566229874 326018946 /nfs/dbraw/zinc/01/89/46/326018946.db2.gz QSQAAPSRKBAXPC-PDWCTOEPSA-N 2 0 239.407 1.623 20 0 BDADRP C[C@H]([NH2+]CCCn1cccn1)[C@H]1CCCC[NH2+]1 ZINC000385942430 367888355 /nfs/dbraw/zinc/88/83/55/367888355.db2.gz BGEZNSVVPRXXIM-QWHCGFSZSA-N 2 0 236.363 1.393 20 0 BDADRP C[C@H]([NH2+]CCCOCC1CC1)[C@H]1CCCC[NH2+]1 ZINC000385955513 367889070 /nfs/dbraw/zinc/88/90/70/367889070.db2.gz DLAJTZJKBFFQAK-GXTWGEPZSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](CO)C1CCCC1 ZINC000385986731 367892687 /nfs/dbraw/zinc/89/26/87/367892687.db2.gz IQVGLJRZIDQAJH-JQWIXIFHSA-N 2 0 214.353 1.255 20 0 BDADRP C[C@H]([NH2+]CCCn1ccnc1)[C@H]1CCCC[NH2+]1 ZINC000386018218 367899267 /nfs/dbraw/zinc/89/92/67/367899267.db2.gz ODGGMAOKXXUTDQ-QWHCGFSZSA-N 2 0 236.363 1.393 20 0 BDADRP CC[N@@H+]1CC[C@H](CN[C@@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000386027231 367900402 /nfs/dbraw/zinc/90/04/02/367900402.db2.gz QAVVDMFQRATZKP-BFHYXJOUSA-N 2 0 239.407 1.448 20 0 BDADRP COCC1(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000566219096 326016178 /nfs/dbraw/zinc/01/61/78/326016178.db2.gz ALNNJYIWEUISRO-STQMWFEESA-N 2 0 240.391 1.875 20 0 BDADRP CO[C@H](C)CC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386542697 367989438 /nfs/dbraw/zinc/98/94/38/367989438.db2.gz DTAFXKHOWHGAQH-GRYCIOLGSA-N 2 0 214.353 1.532 20 0 BDADRP COCC1(C[NH2+][C@@H]2C[C@H](C)[C@H]2C)CC[NH2+]CC1 ZINC000386283106 367944689 /nfs/dbraw/zinc/94/46/89/367944689.db2.gz RKIPRHYLKBZKHC-YNEHKIRRSA-N 2 0 240.391 1.637 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](CO)C2CCCCC2)C1 ZINC000386308350 367949093 /nfs/dbraw/zinc/94/90/93/367949093.db2.gz WLTSFYKIYVRRHS-HZSPNIEDSA-N 2 0 240.391 1.787 20 0 BDADRP COCC1(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)CCC1 ZINC000386376467 367958710 /nfs/dbraw/zinc/95/87/10/367958710.db2.gz CGELLNHAKPLXEV-STQMWFEESA-N 2 0 240.391 1.923 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC12CCCC2 ZINC000386983629 368040828 /nfs/dbraw/zinc/04/08/28/368040828.db2.gz COCLWWKPLMRJPL-NWDGAFQWSA-N 2 0 226.364 1.663 20 0 BDADRP CCC(CC)(C[NH3+])C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000446396369 201683017 /nfs/dbraw/zinc/68/30/17/201683017.db2.gz JPCGHGGQIBFOPB-MNOVXSKESA-N 2 0 241.379 1.138 20 0 BDADRP C[C@@H](C[N@H+](C)CCOCC[NH3+])C(C)(C)C ZINC000399731357 368530035 /nfs/dbraw/zinc/53/00/35/368530035.db2.gz LZCUJKPBRMDLJY-NSHDSACASA-N 2 0 216.369 1.576 20 0 BDADRP Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000086403947 368879640 /nfs/dbraw/zinc/87/96/40/368879640.db2.gz ZFQSGMMMBGCTCO-VXGBXAGGSA-N 2 0 219.332 1.750 20 0 BDADRP CC[NH+](CC)CCCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000086401976 368879973 /nfs/dbraw/zinc/87/99/73/368879973.db2.gz KVQMFPHRLKEOEL-OLZOCXBDSA-N 2 0 227.396 1.578 20 0 BDADRP CC[NH+](CC)CCCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000086401974 368880002 /nfs/dbraw/zinc/88/00/02/368880002.db2.gz KVQMFPHRLKEOEL-STQMWFEESA-N 2 0 227.396 1.578 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000086403962 368880151 /nfs/dbraw/zinc/88/01/51/368880151.db2.gz PCVWNKIKOQTXKV-IRCOFANPSA-N 2 0 212.337 1.149 20 0 BDADRP C[C@H](Cn1ccnc1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000086403159 368880321 /nfs/dbraw/zinc/88/03/21/368880321.db2.gz VSTDPPHDIZVPOP-WOPDTQHZSA-N 2 0 222.336 1.131 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCOCC(F)(F)F)C1 ZINC000086404273 368881451 /nfs/dbraw/zinc/88/14/51/368881451.db2.gz FPUISHNPRBJANS-DTWKUNHWSA-N 2 0 240.269 1.425 20 0 BDADRP CC[NH2+]CC1CC[NH+](Cc2nccnc2C)CC1 ZINC000631821604 368973309 /nfs/dbraw/zinc/97/33/09/368973309.db2.gz CTLTUSFJZUOKPQ-UHFFFAOYSA-N 2 0 248.374 1.607 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089150427 368937610 /nfs/dbraw/zinc/93/76/10/368937610.db2.gz XVXLBZXTWOOEHD-ZIAGYGMSSA-N 3 0 239.407 1.435 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)CO1 ZINC000623657770 368998894 /nfs/dbraw/zinc/99/88/94/368998894.db2.gz YRGAZRNQCVHIRL-BFHYXJOUSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)CO1 ZINC000623657682 368999788 /nfs/dbraw/zinc/99/97/88/368999788.db2.gz WNNUXEHPIZMDFU-AGIUHOORSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C[C@H]1C[NH3+] ZINC000631836573 369077704 /nfs/dbraw/zinc/07/77/04/369077704.db2.gz BRMDMPLBFBSPFJ-XGFWRYKXSA-N 2 0 222.376 1.949 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@H](C)[C@@H]2CCCO2)CC1 ZINC000310249349 326187794 /nfs/dbraw/zinc/18/77/94/326187794.db2.gz FNTWFMBZGNEJTF-OCCSQVGLSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccccn2)C[C@H]1C[NH3+] ZINC000631840466 369250034 /nfs/dbraw/zinc/25/00/34/369250034.db2.gz SPYQNDBJQUSXSG-WDEREUQCSA-N 2 0 205.305 1.108 20 0 BDADRP C(CC1CC[NH2+]CC1)CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631852147 369414594 /nfs/dbraw/zinc/41/45/94/369414594.db2.gz DQPUNJBJQPTOQD-OKILXGFUSA-N 2 0 237.391 1.202 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000459631823 203323861 /nfs/dbraw/zinc/32/38/61/203323861.db2.gz KSEZDVZKHZGETA-IGQOVBAYSA-N 2 0 238.375 1.770 20 0 BDADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCOC2)C1 ZINC000459729275 203345457 /nfs/dbraw/zinc/34/54/57/203345457.db2.gz IWQPXXKRRPNWGL-VXGBXAGGSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459734131 203348247 /nfs/dbraw/zinc/34/82/47/203348247.db2.gz OEQKSSDJLCEKOY-AVGNSLFASA-N 2 0 226.364 1.485 20 0 BDADRP CC[C@H](COC)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459779630 203365842 /nfs/dbraw/zinc/36/58/42/203365842.db2.gz LLLNEIVVSCZMHG-QWHCGFSZSA-N 2 0 228.380 1.733 20 0 BDADRP Cn1cccc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459746174 203351592 /nfs/dbraw/zinc/35/15/92/203351592.db2.gz ZAKHOBRLJRPYIG-ZDUSSCGKSA-N 2 0 235.375 1.847 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459791003 203369836 /nfs/dbraw/zinc/36/98/36/203369836.db2.gz RLCMJZKPQSGMOW-FRRDWIJNSA-N 2 0 210.365 1.964 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)[C@H](C)O1 ZINC000459794381 203370877 /nfs/dbraw/zinc/37/08/77/203370877.db2.gz UOBFMHDCYBNBQL-RQJABVFESA-N 2 0 240.391 1.874 20 0 BDADRP Cc1ccncc1CN1C[C@@H]([NH3+])C[C@H]1C ZINC000631862649 369572973 /nfs/dbraw/zinc/57/29/73/369572973.db2.gz RWKVIGNYRAYPGM-PWSUYJOCSA-N 2 0 205.305 1.312 20 0 BDADRP C[NH+]1CCC(CC[NH2+]Cc2cn[nH]c2)CC1 ZINC000309980710 370283989 /nfs/dbraw/zinc/28/39/89/370283989.db2.gz WAKLSIXQCJRUSG-UHFFFAOYSA-N 2 0 222.336 1.231 20 0 BDADRP CCn1cc(CC[N@@H+]2CC[C@](C)(C[NH3+])C2)cn1 ZINC000621775194 370521526 /nfs/dbraw/zinc/52/15/26/370521526.db2.gz IMSXTTMSEOWMLI-CYBMUJFWSA-N 2 0 236.363 1.116 20 0 BDADRP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccn1 ZINC000621774947 370521933 /nfs/dbraw/zinc/52/19/33/370521933.db2.gz BAISFNJJKZPYQI-SOUVJXGZSA-N 2 0 245.370 1.949 20 0 BDADRP Cc1cc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)ccn1 ZINC000621775293 370523071 /nfs/dbraw/zinc/52/30/71/370523071.db2.gz LBEUEAMZUARWOA-CYBMUJFWSA-N 2 0 233.359 1.951 20 0 BDADRP [NH3+][C@]12CCC[C@H]1C[N@H+](CC[C@H]1CCCO1)C2 ZINC000621784125 370535751 /nfs/dbraw/zinc/53/57/51/370535751.db2.gz KHLZEESPXFLSRY-XQQFMLRXSA-N 2 0 224.348 1.369 20 0 BDADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000631050213 371097042 /nfs/dbraw/zinc/09/70/42/371097042.db2.gz VVYDGMRDHOWWBK-CYBMUJFWSA-N 2 0 249.358 1.609 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](CO)C1 ZINC000332377428 181573518 /nfs/dbraw/zinc/57/35/18/181573518.db2.gz XZKGPIAECNSWBD-SYQHCUMBSA-N 2 0 240.391 1.787 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1NCC[NH2+]C1CCCCCC1 ZINC000331534401 181584698 /nfs/dbraw/zinc/58/46/98/181584698.db2.gz PVMCACHSJVIAPP-ZIAGYGMSSA-N 2 0 239.407 1.768 20 0 BDADRP C[N@@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCCOCC2)C1 ZINC000624122014 371322779 /nfs/dbraw/zinc/32/27/79/371322779.db2.gz ICDZMPQIUZSIAB-UONOGXRCSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)[C@@H]1CCCO1 ZINC000624122410 371322947 /nfs/dbraw/zinc/32/29/47/371322947.db2.gz QQXBFASUGHHXRZ-IHRRRGAJSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)C1CC([NH2+]CCN2CC[C@H](O)C2)C1 ZINC000624337543 371487126 /nfs/dbraw/zinc/48/71/26/371487126.db2.gz LGAKXJZWGLJPRI-BPCQOVAHSA-N 2 0 226.364 1.077 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC[C@H](O)C(F)F)CN1C1CC1 ZINC000631216575 372238740 /nfs/dbraw/zinc/23/87/40/372238740.db2.gz LKGUGJHMTMBBOL-YWVKMMECSA-N 2 0 248.317 1.217 20 0 BDADRP O[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000631740947 372541154 /nfs/dbraw/zinc/54/11/54/372541154.db2.gz PYVATDLELQHSRF-KBPBESRZSA-N 2 0 238.375 1.364 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H]2CCO[C@H]2C)C1 ZINC000631823672 372587556 /nfs/dbraw/zinc/58/75/56/372587556.db2.gz KVZDCBNOLPCBEC-YFKTTZPYSA-N 2 0 212.337 1.081 20 0 BDADRP C[C@H]1OCC[C@H]1C[NH+]1CCC(C)([NH3+])CC1 ZINC000631824448 372589173 /nfs/dbraw/zinc/58/91/73/372589173.db2.gz GUCANGHXRSVJOQ-MNOVXSKESA-N 2 0 212.337 1.225 20 0 BDADRP Cc1cc(C)c(C[N@@H+]2CC[C@H](C[NH3+])C2)c(C)n1 ZINC000631821012 372595815 /nfs/dbraw/zinc/59/58/15/372595815.db2.gz MLDQVKCRWJKIMO-CYBMUJFWSA-N 2 0 233.359 1.787 20 0 BDADRP C[N@H+](CCC[NH3+])Cc1cccc2c1CCOC2 ZINC000631821891 372597379 /nfs/dbraw/zinc/59/73/79/372597379.db2.gz MGLMUGCBQUKBAT-UHFFFAOYSA-N 2 0 234.343 1.540 20 0 BDADRP C[C@H]1OCC[C@H]1C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000631827980 372609376 /nfs/dbraw/zinc/60/93/76/372609376.db2.gz BHTGVOBNCRJMJN-BJJPWKGXSA-N 2 0 240.391 1.717 20 0 BDADRP Cc1cnccc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631837458 372627882 /nfs/dbraw/zinc/62/78/82/372627882.db2.gz SLRPOPNZUSZDBJ-WCQYABFASA-N 2 0 219.332 1.417 20 0 BDADRP Cc1cncc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000631837125 372627931 /nfs/dbraw/zinc/62/79/31/372627931.db2.gz NCBNXNJQVQHGSW-DGCLKSJQSA-N 2 0 219.332 1.417 20 0 BDADRP CCC1([NH+]2CCCC2)CCN(CC[NH3+])CC1 ZINC000631838091 372631226 /nfs/dbraw/zinc/63/12/26/372631226.db2.gz ZZEIKWNQKIRTBO-UHFFFAOYSA-N 2 0 225.380 1.286 20 0 BDADRP Cc1ncc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)s1 ZINC000631838426 372632241 /nfs/dbraw/zinc/63/22/41/372632241.db2.gz OAIUVJNHVBPYEO-PSASIEDQSA-N 2 0 225.361 1.478 20 0 BDADRP C[C@H]1OCC[C@H]1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000631826348 372605936 /nfs/dbraw/zinc/60/59/36/372605936.db2.gz LJBNANBEKHBWLU-MQYQWHSLSA-N 2 0 238.375 1.343 20 0 BDADRP Nc1cccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631889694 372685191 /nfs/dbraw/zinc/68/51/91/372685191.db2.gz LOZCJTGBPAKXPT-ZFWWWQNUSA-N 2 0 245.370 1.843 20 0 BDADRP c1csc(C[NH2+]CCC[NH2+]C2CC2)c1 ZINC000040397650 373221841 /nfs/dbraw/zinc/22/18/41/373221841.db2.gz OBSVDDWMQDXNBV-UHFFFAOYSA-N 2 0 210.346 1.980 20 0 BDADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000449589910 205491828 /nfs/dbraw/zinc/49/18/28/205491828.db2.gz KNZDLKUYDJVKKA-FIQHERPVSA-N 2 0 241.379 1.136 20 0 BDADRP CC(C)(C)[NH2+]CCN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000414774234 205770300 /nfs/dbraw/zinc/77/03/00/205770300.db2.gz BAUMFWRSQOVZAM-AWEZNQCLSA-N 2 0 239.407 1.450 20 0 BDADRP F[C@H](c1nc([C@@H]2CCC[NH2+]2)no1)[C@H]1CC[NH2+]C1 ZINC000634556659 374314102 /nfs/dbraw/zinc/31/41/02/374314102.db2.gz AMKVXYSRLRRIDN-CIUDSAMLSA-N 2 0 240.282 1.114 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)CC[C@H](C)O)C[C@H]1C ZINC000336662605 170019643 /nfs/dbraw/zinc/01/96/43/170019643.db2.gz CMAVVFZOUFKLPV-AGIUHOORSA-N 2 0 228.380 1.562 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCO)[C@@H](C)C1 ZINC000304429106 170018889 /nfs/dbraw/zinc/01/88/89/170018889.db2.gz MBOCNAUSLMOGIJ-RYUDHWBXSA-N 2 0 214.353 1.031 20 0 BDADRP CSC1(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000193815599 206022615 /nfs/dbraw/zinc/02/26/15/206022615.db2.gz LYYBHGTXPHINNL-GHMZBOCLSA-N 2 0 228.405 1.954 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])[C@@H]1CCCOC1 ZINC000424381732 206039348 /nfs/dbraw/zinc/03/93/48/206039348.db2.gz ZMJBJZDCKGOVCW-UMSGYPCISA-N 2 0 226.364 1.661 20 0 BDADRP CCOC[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000178973567 134313960 /nfs/dbraw/zinc/31/39/60/134313960.db2.gz OOIONAVOTFADRX-CQSZACIVSA-N 2 0 240.391 1.735 20 0 BDADRP OC1CCC([NH2+]CCCNc2ccccn2)CC1 ZINC000353533171 183027865 /nfs/dbraw/zinc/02/78/65/183027865.db2.gz XOKHPUGSLNZNAD-UHFFFAOYSA-N 2 0 249.358 1.777 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]1CCCCC[NH2+]1 ZINC000363688173 169002080 /nfs/dbraw/zinc/00/20/80/169002080.db2.gz QJXUXJGFLHRDEK-VXGBXAGGSA-N 2 0 241.379 1.152 20 0 BDADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CC ZINC000352380133 169071849 /nfs/dbraw/zinc/07/18/49/169071849.db2.gz GWOKFDXFJZTBFM-GFCCVEGCSA-N 2 0 243.395 1.175 20 0 BDADRP O[C@H](C[NH2+]C[C@H]1CC=CCC1)C[NH+]1CCCC1 ZINC000045629943 183224308 /nfs/dbraw/zinc/22/43/08/183224308.db2.gz ADAHVVPFFYNZNA-UONOGXRCSA-N 2 0 238.375 1.389 20 0 BDADRP Oc1cccc(C[NH2+][C@@H]2CCN(C3CC3)C2)c1 ZINC000044684946 183290802 /nfs/dbraw/zinc/29/08/02/183290802.db2.gz RFXQNPSOXLIYEZ-GFCCVEGCSA-N 2 0 232.327 1.719 20 0 BDADRP CCC[NH+]1CCC([NH2+]CC[C@H](C)O)CC1 ZINC000082992574 169188517 /nfs/dbraw/zinc/18/85/17/169188517.db2.gz OAPDDKIXWUVEAZ-NSHDSACASA-N 2 0 214.353 1.221 20 0 BDADRP CCC[NH+]1CCC(NCC[NH+]2CCCC2)CC1 ZINC000020126757 169188871 /nfs/dbraw/zinc/18/88/71/169188871.db2.gz YWUMHNONLQVMNS-UHFFFAOYSA-N 2 0 239.407 1.546 20 0 BDADRP c1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cs1 ZINC000063147261 183349449 /nfs/dbraw/zinc/34/94/49/183349449.db2.gz ZVNKHFZQWDTKFC-SNVBAGLBSA-N 2 0 210.346 1.837 20 0 BDADRP CCCNC(=O)CC[NH2+][C@H](C)CCCC[NH3+] ZINC000309234780 169217070 /nfs/dbraw/zinc/21/70/70/169217070.db2.gz LJOYVWLGNKLZED-LLVKDONJSA-N 2 0 229.368 1.010 20 0 BDADRP c1ccc(CC[NH2+]C2CC[NH2+]CC2)cc1 ZINC000038040570 183392905 /nfs/dbraw/zinc/39/29/05/183392905.db2.gz XLNOCLAOGHGUJC-UHFFFAOYSA-N 2 0 204.317 1.571 20 0 BDADRP CCC[C@@H](C[NH2+][C@H](C)CCCC[NH3+])OC ZINC000356341290 169385502 /nfs/dbraw/zinc/38/55/02/169385502.db2.gz UJMUNXMSNFLMBK-NEPJUHHUSA-N 2 0 216.369 1.909 20 0 BDADRP CCC[C@H]([NH3+])C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000236899545 169502453 /nfs/dbraw/zinc/50/24/53/169502453.db2.gz UYZPWHXFGLZTFT-QWRGUYRKSA-N 2 0 243.395 1.206 20 0 BDADRP CC(C)[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000183868739 134357030 /nfs/dbraw/zinc/35/70/30/134357030.db2.gz KDKAEMHYMARTSQ-WVMKXHBISA-N 2 0 226.364 1.218 20 0 BDADRP CO[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1)C1CC1 ZINC000400177319 383826143 /nfs/dbraw/zinc/82/61/43/383826143.db2.gz PRDQSMFVPOPECY-JSGCOSHPSA-N 2 0 240.391 1.731 20 0 BDADRP CC(C)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000111231337 383842379 /nfs/dbraw/zinc/84/23/79/383842379.db2.gz NFNJHDINANGKJK-AWEZNQCLSA-N 2 0 239.407 1.497 20 0 BDADRP C[N@H+](CCOCC[NH3+])CCC1CCCC1 ZINC000301052351 383880192 /nfs/dbraw/zinc/88/01/92/383880192.db2.gz VZIUPWRATGIXML-UHFFFAOYSA-N 2 0 214.353 1.474 20 0 BDADRP C[C@@H](NCCC[NH+](C)C)c1cnccn1 ZINC000070024595 383854793 /nfs/dbraw/zinc/85/47/93/383854793.db2.gz LNLVZQXVKLWYLZ-SNVBAGLBSA-N 2 0 208.309 1.079 20 0 BDADRP CC(C)N(C)C[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000309312758 383870477 /nfs/dbraw/zinc/87/04/77/383870477.db2.gz FMRDEDTUDKXRNO-QWHCGFSZSA-N 2 0 229.412 1.822 20 0 BDADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ccccn1 ZINC000020439733 383878456 /nfs/dbraw/zinc/87/84/56/383878456.db2.gz OFQDHZMVJLQEKE-ZDUSSCGKSA-N 2 0 219.332 1.785 20 0 BDADRP CC(C)[C@H](c1nc([C@H]2CCC[NH2+]2)no1)[C@H](C)[NH3+] ZINC000647144015 383832762 /nfs/dbraw/zinc/83/27/62/383832762.db2.gz JQIBPGJBLBTFQB-AEJSXWLSSA-N 2 0 238.335 1.581 20 0 BDADRP CC[C@H](O)[C@H](CC)[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000313123525 383912341 /nfs/dbraw/zinc/91/23/41/383912341.db2.gz WHNMLOCYQVGGBQ-XWUBHJNHSA-N 2 0 240.391 1.751 20 0 BDADRP C1[C@@H](c2nc([C@@H]3CCC[NH2+]3)no2)C12CC[NH2+]CC2 ZINC000647148708 383897206 /nfs/dbraw/zinc/89/72/06/383897206.db2.gz VRLQOCUZMJHGKN-UWVGGRQHSA-N 2 0 248.330 1.351 20 0 BDADRP CCC[C@H](C)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000187691071 383979043 /nfs/dbraw/zinc/97/90/43/383979043.db2.gz DILLHJIDAGKYMU-ZDUSSCGKSA-N 2 0 242.407 1.954 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](CCC(F)(F)F)CC1 ZINC000070911479 383960252 /nfs/dbraw/zinc/96/02/52/383960252.db2.gz ZQWWCAGQUKFESP-MRVPVSSYSA-N 2 0 224.270 1.998 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)C1CC1 ZINC000234799252 134388719 /nfs/dbraw/zinc/38/87/19/134388719.db2.gz SWSAAIQLUDOABW-ONGXEEELSA-N 2 0 200.326 1.128 20 0 BDADRP C[C@@H](N[C@H]1CC[NH2+]C2(CCC2)C1)[C@H]1CCC[NH2+]1 ZINC000643547386 384033738 /nfs/dbraw/zinc/03/37/38/384033738.db2.gz DRJBCCQSILELPE-FRRDWIJNSA-N 2 0 237.391 1.391 20 0 BDADRP C[C@@H](N[C@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000643547384 384033908 /nfs/dbraw/zinc/03/39/08/384033908.db2.gz DRJBCCQSILELPE-AGIUHOORSA-N 2 0 237.391 1.391 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000401801472 384034787 /nfs/dbraw/zinc/03/47/87/384034787.db2.gz UQHJIHZYRCAPKE-RYUDHWBXSA-N 2 0 214.353 1.485 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)CO1 ZINC000647217434 384037710 /nfs/dbraw/zinc/03/77/10/384037710.db2.gz QLBQEZWKHXXDGL-FRRDWIJNSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643547864 384037938 /nfs/dbraw/zinc/03/79/38/384037938.db2.gz KAFLCAJCTSWQAQ-FRRDWIJNSA-N 2 0 237.391 1.249 20 0 BDADRP CC(C)c1noc(CN2CC[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000163178154 384069152 /nfs/dbraw/zinc/06/91/52/384069152.db2.gz SAXXDOFIQOMDRF-ZJUUUORDSA-N 2 0 238.335 1.362 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCO[C@@H]1C ZINC000227833738 134389756 /nfs/dbraw/zinc/38/97/56/134389756.db2.gz YYTOYVZTUAUONB-GMTAPVOTSA-N 2 0 200.326 1.094 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C2CCC([NH+](C)C)CC2)CO1 ZINC000647219013 384072622 /nfs/dbraw/zinc/07/26/22/384072622.db2.gz YYJFUJFOEFZWGC-QCXCNERSSA-N 2 0 226.364 1.626 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CO1 ZINC000401846946 384121022 /nfs/dbraw/zinc/12/10/22/384121022.db2.gz UUOLOCOEYLMSOH-AAGQIVHDSA-N 2 0 224.348 1.379 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+](CC3(C)CC3)C2)C1 ZINC000560460588 384147528 /nfs/dbraw/zinc/14/75/28/384147528.db2.gz CGJAQDSPGYEVSS-CYBMUJFWSA-N 2 0 208.349 1.814 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000309450699 384144298 /nfs/dbraw/zinc/14/42/98/384144298.db2.gz PWVOGXJWYCAALY-LBPRGKRZSA-N 3 0 227.396 1.435 20 0 BDADRP C[C@H](CC1CC1)[NH2+]C[C@H]1CCCN1CCCO ZINC000449388202 384144331 /nfs/dbraw/zinc/14/43/31/384144331.db2.gz ONKNIAZFHGXORV-TZMCWYRMSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]CCc2cn(C)cn2)CN1C1CC1 ZINC000313253433 384163567 /nfs/dbraw/zinc/16/35/67/384163567.db2.gz QKNBSZGKQNJTAH-WCQYABFASA-N 2 0 248.374 1.177 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCOc2ccccc2)C1 ZINC000163205648 384164757 /nfs/dbraw/zinc/16/47/57/384164757.db2.gz UWJSIAYIXWCVSO-QWHCGFSZSA-N 2 0 234.343 1.735 20 0 BDADRP CC[C@H]([NH3+])C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000040809189 384164799 /nfs/dbraw/zinc/16/47/99/384164799.db2.gz UFVIRDAWUUETSN-QWHCGFSZSA-N 2 0 249.358 1.143 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H]2CO[C@@H](C)C2)CC1 ZINC000401871838 384186037 /nfs/dbraw/zinc/18/60/37/384186037.db2.gz CJGFQQZDZVFGPC-AAEUAGOBSA-N 2 0 226.364 1.485 20 0 BDADRP C[NH2+]C1CC[NH+]([C@@H](C)CCOC)CC1 ZINC000081715671 384196421 /nfs/dbraw/zinc/19/64/21/384196421.db2.gz RRCQFVLKFCMNJF-JTQLQIEISA-N 2 0 200.326 1.095 20 0 BDADRP C[C@H](CCO)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000132552240 384236328 /nfs/dbraw/zinc/23/63/28/384236328.db2.gz QTMYVJQQPASACE-GFCCVEGCSA-N 2 0 249.358 1.411 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)CO1 ZINC000401881355 384211472 /nfs/dbraw/zinc/21/14/72/384211472.db2.gz IDSQHTUEZUIYPT-JQWIXIFHSA-N 2 0 212.337 1.095 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)CO1 ZINC000401908751 384247215 /nfs/dbraw/zinc/24/72/15/384247215.db2.gz VKNMIIGKXRZKHR-WOPDTQHZSA-N 2 0 212.337 1.095 20 0 BDADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000069626576 384247490 /nfs/dbraw/zinc/24/74/90/384247490.db2.gz BNGXQTPMSKCKFQ-GFCCVEGCSA-N 2 0 219.332 1.642 20 0 BDADRP CC(C)[N@H+](C)CCNC(=O)CCCC[NH+](C)C ZINC000560601814 384251347 /nfs/dbraw/zinc/25/13/47/384251347.db2.gz IMINFUMTKUDJBK-UHFFFAOYSA-N 2 0 243.395 1.175 20 0 BDADRP CO[C@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000644166527 384256771 /nfs/dbraw/zinc/25/67/71/384256771.db2.gz WHHVMMDULLOLCW-WUHRBBMRSA-N 2 0 226.364 1.804 20 0 BDADRP C[C@H]([NH2+]CCCCn1ccnc1)[C@H]1CCC[NH2+]1 ZINC000400419464 384261848 /nfs/dbraw/zinc/26/18/48/384261848.db2.gz WIFXBCOWYNGJHI-QWHCGFSZSA-N 2 0 236.363 1.393 20 0 BDADRP CCn1cc(CN[C@H]2CC[N@H+](C)C[C@@H]2C)cn1 ZINC000134528150 384268123 /nfs/dbraw/zinc/26/81/23/384268123.db2.gz SVPJGYVXJIWRHV-AAEUAGOBSA-N 2 0 236.363 1.333 20 0 BDADRP Cc1nn(C)cc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228535931 384274617 /nfs/dbraw/zinc/27/46/17/384274617.db2.gz HZOTVWLTQGAIMA-IACUBPJLSA-N 2 0 248.374 1.288 20 0 BDADRP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)nc1 ZINC000228535990 384274743 /nfs/dbraw/zinc/27/47/43/384274743.db2.gz NBEPZNVJGFLVEE-NWANDNLSSA-N 2 0 245.370 1.949 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@](C)(O)CC)CC1 ZINC000083462290 384305576 /nfs/dbraw/zinc/30/55/76/384305576.db2.gz NCOANGWXHQGNDW-GFCCVEGCSA-N 2 0 214.353 1.221 20 0 BDADRP C[C@H](C[NH3+])N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000237616708 384309112 /nfs/dbraw/zinc/30/91/12/384309112.db2.gz RUBNPIMIOAYDKZ-VXGBXAGGSA-N 2 0 241.379 1.057 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCC1(O)CCC1 ZINC000332469087 384313773 /nfs/dbraw/zinc/31/37/73/384313773.db2.gz MPLCQGHZNFPEMD-NEPJUHHUSA-N 2 0 226.364 1.399 20 0 BDADRP CC[N@H+](C)C[C@H]1CCN(Cc2nccn2C)C1 ZINC000173923723 384288131 /nfs/dbraw/zinc/28/81/31/384288131.db2.gz QQDZUMKMILCEOE-GFCCVEGCSA-N 2 0 236.363 1.194 20 0 BDADRP CSCCC[N@H+](C)CCCn1ccnc1 ZINC000119746984 384299413 /nfs/dbraw/zinc/29/94/13/384299413.db2.gz WBYKGHPVJLOTMF-UHFFFAOYSA-N 2 0 227.377 1.958 20 0 BDADRP C[C@H]1[NH2+]CCN(Cc2cnc3ccccn23)[C@H]1C ZINC000647509521 384341853 /nfs/dbraw/zinc/34/18/53/384341853.db2.gz LCGKRLYIILNLMH-NEPJUHHUSA-N 2 0 244.342 1.517 20 0 BDADRP Cc1ccc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cn1 ZINC000228860038 384345561 /nfs/dbraw/zinc/34/55/61/384345561.db2.gz WWAVGCQPHZEXHV-AAEUAGOBSA-N 2 0 219.332 1.559 20 0 BDADRP Cc1cc(C)c(C[NH2+][C@H](C)CCC[NH3+])cn1 ZINC000397494624 384360218 /nfs/dbraw/zinc/36/02/18/384360218.db2.gz OBQNDACHFHISOP-LLVKDONJSA-N 2 0 221.348 1.915 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)C[NH3+])C1(C)C ZINC000300388073 384363824 /nfs/dbraw/zinc/36/38/24/384363824.db2.gz NQRLZTZMHOHKKL-GMTAPVOTSA-N 2 0 214.353 1.374 20 0 BDADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)C[C@@H]1CCCO1 ZINC000084385150 384392976 /nfs/dbraw/zinc/39/29/76/384392976.db2.gz ACHTYNPLBYCOLM-RYUDHWBXSA-N 2 0 212.337 1.097 20 0 BDADRP CC(C)(CCO)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000229622912 384396539 /nfs/dbraw/zinc/39/65/39/384396539.db2.gz GRIQLGRTLQTMKY-CHWSQXEVSA-N 2 0 240.391 1.611 20 0 BDADRP Nc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cn1 ZINC000647512007 384400196 /nfs/dbraw/zinc/40/01/96/384400196.db2.gz YXXMUAZJACWIHT-YNEHKIRRSA-N 2 0 246.358 1.053 20 0 BDADRP Cc1nc(C)c(C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)s1 ZINC000405529497 384405977 /nfs/dbraw/zinc/40/59/77/384405977.db2.gz XSZXOYNSVLDYPR-QWRGUYRKSA-N 2 0 239.388 1.975 20 0 BDADRP Cc1nccn1CCC[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000647172752 384427027 /nfs/dbraw/zinc/42/70/27/384427027.db2.gz HQKQTGCIOBQZDN-JQWIXIFHSA-N 2 0 223.320 1.349 20 0 BDADRP CC[NH+]1CCC(N[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000335644705 384418232 /nfs/dbraw/zinc/41/82/32/384418232.db2.gz YEZGSJPSONAFOY-YPMHNXCESA-N 2 0 225.380 1.201 20 0 BDADRP CC[NH+]1CCC(N[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000335644702 384419554 /nfs/dbraw/zinc/41/95/54/384419554.db2.gz YEZGSJPSONAFOY-AAEUAGOBSA-N 2 0 225.380 1.201 20 0 BDADRP CCOCCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000084217912 384376839 /nfs/dbraw/zinc/37/68/39/384376839.db2.gz KOJDKZMTTXSZKC-GHMZBOCLSA-N 2 0 200.326 1.130 20 0 BDADRP CC[N@H+](C[C@@H]1CCOC1)C[C@@]1(C)CC[NH2+]C1 ZINC000647513886 384428166 /nfs/dbraw/zinc/42/81/66/384428166.db2.gz NFWMBXGGVCMTOG-STQMWFEESA-N 2 0 226.364 1.344 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000564456828 384428317 /nfs/dbraw/zinc/42/83/17/384428317.db2.gz ZSGTVUCMWVWNBK-UWVGGRQHSA-N 2 0 247.342 1.145 20 0 BDADRP C[C@@]1(C[N@@H+]2CCC[C@@H](CCO)C2)CC[NH2+]C1 ZINC000647515912 384460121 /nfs/dbraw/zinc/46/01/21/384460121.db2.gz ZTZLPFHYKMVAOP-QWHCGFSZSA-N 2 0 226.364 1.080 20 0 BDADRP C[C@@H]1CSC[C@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000335660324 384461477 /nfs/dbraw/zinc/46/14/77/384461477.db2.gz CRDMLIOEUPJRPY-ZYHUDNBSSA-N 2 0 226.389 1.589 20 0 BDADRP CC[N@H+](CCNC(=O)C[NH+](C)C(C)C)C(C)C ZINC000102478885 384472188 /nfs/dbraw/zinc/47/21/88/384472188.db2.gz OLCJVEQYKIBFHN-UHFFFAOYSA-N 2 0 243.395 1.173 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(C)CCOCC1 ZINC000334420522 384493731 /nfs/dbraw/zinc/49/37/31/384493731.db2.gz SWVWDCPROUCGNW-STQMWFEESA-N 2 0 240.391 1.733 20 0 BDADRP Cc1ccc([C@@H](O)C[NH+]2CCC([NH3+])CC2)cc1 ZINC000011729507 384531824 /nfs/dbraw/zinc/53/18/24/384531824.db2.gz UWIUSHHSJIAKTH-AWEZNQCLSA-N 2 0 234.343 1.452 20 0 BDADRP CCCC[N@H+](C)CCNC(=O)[C@H]([NH3+])[C@@H](C)CC ZINC000236713064 384556610 /nfs/dbraw/zinc/55/66/10/384556610.db2.gz OQKSSRZMUJCFNW-NWDGAFQWSA-N 2 0 243.395 1.208 20 0 BDADRP CC[N@H+](CC[C@H]1CC[NH2+]C1)C[C@H]1CCOC1 ZINC000643056835 384558247 /nfs/dbraw/zinc/55/82/47/384558247.db2.gz ZDBYVPUTSRMIOG-CHWSQXEVSA-N 2 0 226.364 1.344 20 0 BDADRP c1cc([C@H]2CCC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)n[nH]1 ZINC000643057149 384559434 /nfs/dbraw/zinc/55/94/34/384559434.db2.gz GELYJWPMOGAQDH-STQMWFEESA-N 2 0 248.374 1.589 20 0 BDADRP C[C@H]([NH3+])CCC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000248840873 384561093 /nfs/dbraw/zinc/56/10/93/384561093.db2.gz GAKRBRAGHFQPSR-QJPTWQEYSA-N 2 0 241.379 1.103 20 0 BDADRP CC(C)[C@H]([NH3+])C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000236784327 384579719 /nfs/dbraw/zinc/57/97/19/384579719.db2.gz PCJVPRNVXWPGBN-MNOVXSKESA-N 2 0 243.395 1.062 20 0 BDADRP C(CN1CC[C@@H]2CC[NH2+][C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000643066834 384580720 /nfs/dbraw/zinc/58/07/20/384580720.db2.gz UJPLQVQKTJPVOE-IHRRRGAJSA-N 2 0 237.391 1.060 20 0 BDADRP Cc1cccc(CC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000423086250 384565741 /nfs/dbraw/zinc/56/57/41/384565741.db2.gz MRDATPYGRWYDGZ-TZMCWYRMSA-N 2 0 233.359 1.650 20 0 BDADRP Cc1cccc(CC[NH2+][C@H](C)C[C@@H](C)[NH3+])n1 ZINC000423090698 384566780 /nfs/dbraw/zinc/56/67/80/384566780.db2.gz YGIXQSNCALWCDJ-ZYHUDNBSSA-N 2 0 221.348 1.648 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+]CC2=CCCOC2)CC1 ZINC000355784079 384612224 /nfs/dbraw/zinc/61/22/24/384612224.db2.gz ZLFCGEHAEARCET-UHFFFAOYSA-N 2 0 238.375 1.655 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000309781188 384597508 /nfs/dbraw/zinc/59/75/08/384597508.db2.gz RFNCPBLWJUUSSS-AGIUHOORSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000309781189 384598571 /nfs/dbraw/zinc/59/85/71/384598571.db2.gz RFNCPBLWJUUSSS-FRRDWIJNSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](Cc2ccncc2)C[C@H]1C[NH3+] ZINC000397414504 384600263 /nfs/dbraw/zinc/60/02/63/384600263.db2.gz XJQGDTXUCRFUCH-MBNYWOFBSA-N 2 0 233.359 1.887 20 0 BDADRP Cc1cccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])n1 ZINC000564823795 384662933 /nfs/dbraw/zinc/66/29/33/384662933.db2.gz COPRTXCZHWMSTJ-MWLCHTKSSA-N 2 0 207.321 1.605 20 0 BDADRP CO[C@@H]1CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000647538541 384668213 /nfs/dbraw/zinc/66/82/13/384668213.db2.gz XCHZEAIXLDRNOK-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cccc(O)c1 ZINC000518131219 384723479 /nfs/dbraw/zinc/72/34/79/384723479.db2.gz XPXSKQFCRZROLN-DOOHLRMFSA-N 2 0 246.354 1.998 20 0 BDADRP CC(F)(F)CC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000357718275 384682245 /nfs/dbraw/zinc/68/22/45/384682245.db2.gz VIFWQDDOXUISBQ-DTWKUNHWSA-N 2 0 206.280 1.749 20 0 BDADRP Nc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])cn1 ZINC000647541378 384685541 /nfs/dbraw/zinc/68/55/41/384685541.db2.gz DGMJGUUZLDDYLL-GFCCVEGCSA-N 2 0 234.347 1.197 20 0 BDADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CO[C@H](C)C1 ZINC000647190817 384711139 /nfs/dbraw/zinc/71/11/39/384711139.db2.gz QFFQEMDITAAKHY-JHJVBQTASA-N 2 0 244.379 1.110 20 0 BDADRP C1[NH2+]C[C@H]2C[C@H]([NH2+][C@H]3CCCC[NH2+]C3)CC[C@@H]12 ZINC000647548184 384749808 /nfs/dbraw/zinc/74/98/08/384749808.db2.gz XZFBANQLQCKPNT-DGAVXFQQSA-N 3 0 237.391 1.106 20 0 BDADRP C[C@H]([NH2+]CCC[NH3+])c1ccnn1-c1ccccc1 ZINC000423197573 384751338 /nfs/dbraw/zinc/75/13/38/384751338.db2.gz ZWUUWALSZKMFGB-LBPRGKRZSA-N 2 0 244.342 1.872 20 0 BDADRP C[C@@]1(CN[C@H]2CC[NH2+]C3(CCC3)C2)CC[NH2+]C1 ZINC000647548220 384754732 /nfs/dbraw/zinc/75/47/32/384754732.db2.gz ZONFGWLCVXAUNP-QWHCGFSZSA-N 2 0 237.391 1.250 20 0 BDADRP COC[C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000053172047 384765531 /nfs/dbraw/zinc/76/55/31/384765531.db2.gz BTDLLDDZCVDMKU-SNVBAGLBSA-N 2 0 202.342 1.199 20 0 BDADRP CC[NH+](CC)C[C@@H]1CCN(CCOC)C1 ZINC000174211344 384767687 /nfs/dbraw/zinc/76/76/87/384767687.db2.gz AQSLVJMVQBIPNP-LBPRGKRZSA-N 2 0 214.353 1.297 20 0 BDADRP C[C@]1(C[NH2+]CCOCc2ccccc2)CC[NH2+]C1 ZINC000390028421 384823683 /nfs/dbraw/zinc/82/36/83/384823683.db2.gz WKXXISKZOYJZFN-HNNXBMFYSA-N 2 0 248.370 1.792 20 0 BDADRP CC[C@@H](CCO)[NH2+][C@@H](C)CCCC[NH3+] ZINC000308540727 384793755 /nfs/dbraw/zinc/79/37/55/384793755.db2.gz NWBDLFWQPUCKOJ-QWRGUYRKSA-N 2 0 202.342 1.255 20 0 BDADRP COC[C@@H]([NH2+]C1CCC([NH3+])CC1)C1CC1 ZINC000087480101 384797084 /nfs/dbraw/zinc/79/70/84/384797084.db2.gz TUJAVZOSUSNBFZ-HTAVTVPLSA-N 2 0 212.337 1.271 20 0 BDADRP C[C@@H]1C[NH+](CCCc2cncn2C)C[C@H]1C ZINC000518212895 384800954 /nfs/dbraw/zinc/80/09/54/384800954.db2.gz QTUGBQMTFHLHOV-VXGBXAGGSA-N 2 0 221.348 1.941 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC1(O)CCCCC1 ZINC000335040215 384814791 /nfs/dbraw/zinc/81/47/91/384814791.db2.gz CNDNDVJDCMPHFT-MNOVXSKESA-N 2 0 212.337 1.151 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CCCOC(F)F ZINC000398277300 384879432 /nfs/dbraw/zinc/87/94/32/384879432.db2.gz YEIGIMUUWLCHOU-VIFPVBQESA-N 2 0 224.295 1.723 20 0 BDADRP CO[C@@H]1CCN(CCOCC(C)C)[C@@H](C[NH3+])C1 ZINC000234829387 384881391 /nfs/dbraw/zinc/88/13/91/384881391.db2.gz RFFZNDGTBQDOPT-CHWSQXEVSA-N 2 0 244.379 1.097 20 0 BDADRP COCCCC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000163666636 384841486 /nfs/dbraw/zinc/84/14/86/384841486.db2.gz SCBUIJYRLYLVKS-XQQFMLRXSA-N 2 0 226.364 1.472 20 0 BDADRP COCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423389234 384851234 /nfs/dbraw/zinc/85/12/34/384851234.db2.gz ODIAJXXWABMVJB-QJPTWQEYSA-N 2 0 214.353 1.661 20 0 BDADRP Cn1cccc1C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000175013598 384860424 /nfs/dbraw/zinc/86/04/24/384860424.db2.gz CGLURJJKFRSILV-QWHCGFSZSA-N 2 0 235.375 1.988 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCN(C3CC3)C2)C1 ZINC000086403757 384869478 /nfs/dbraw/zinc/86/94/78/384869478.db2.gz POWJVUFHJJXYND-IJLUTSLNSA-N 2 0 223.364 1.083 20 0 BDADRP CC1(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CCOCC1 ZINC000233021979 259659463 /nfs/dbraw/zinc/65/94/63/259659463.db2.gz QMQXUEVACWXPQZ-VXGBXAGGSA-N 2 0 226.364 1.663 20 0 BDADRP C(N1CC[C@H]([NH+]2CCCCC2)C1)C12CC(C1)C[NH2+]2 ZINC000634992552 384897727 /nfs/dbraw/zinc/89/77/27/384897727.db2.gz SWLSXXPFEVMZGQ-SLTAFYQDSA-N 2 0 249.402 1.299 20 0 BDADRP CC(C)C[C@H]([NH3+])c1noc(CC(C)(C)[NH3+])n1 ZINC000647129974 384906281 /nfs/dbraw/zinc/90/62/81/384906281.db2.gz RNJGZNSTSFYALV-QMMMGPOBSA-N 2 0 226.324 1.395 20 0 BDADRP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)CCO1 ZINC000310238947 384923670 /nfs/dbraw/zinc/92/36/70/384923670.db2.gz LFJCDPTYELTWFZ-RDBSUJKOSA-N 2 0 242.407 1.977 20 0 BDADRP C[N@H+](CCC[NH2+][C@H]1CCOC1)Cc1ccccc1 ZINC000104063433 384925132 /nfs/dbraw/zinc/92/51/32/384925132.db2.gz HWCPJWLFPNIDIX-HNNXBMFYSA-N 2 0 248.370 1.887 20 0 BDADRP C[C@@H](O)C[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000644522509 384926016 /nfs/dbraw/zinc/92/60/16/384926016.db2.gz JUUJXEJQHSKVIN-MGPQQGTHSA-N 2 0 242.407 1.715 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCc1ccc(F)c(F)c1 ZINC000258751823 384940044 /nfs/dbraw/zinc/94/00/44/384940044.db2.gz ADFNZPNAWBIPRR-STQMWFEESA-N 2 0 240.297 1.977 20 0 BDADRP COc1ccc(OC)c(C[NH2+]C[C@@H](C)C[NH3+])c1 ZINC000258771990 384942622 /nfs/dbraw/zinc/94/26/22/384942622.db2.gz OESOZBHPHUFYDN-JTQLQIEISA-N 2 0 238.331 1.388 20 0 BDADRP Cc1ccc(C[NH2+]C[C@@H]2CNCCN2C)c(C)c1 ZINC000258907064 384943589 /nfs/dbraw/zinc/94/35/89/384943589.db2.gz LTHMLARAWUDKTI-HNNXBMFYSA-N 2 0 247.386 1.297 20 0 BDADRP Cc1nocc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000339235493 384976378 /nfs/dbraw/zinc/97/63/78/384976378.db2.gz IQDOQTIXSBDHSF-UHFFFAOYSA-N 2 0 223.320 1.414 20 0 BDADRP Cc1nc(CC[NH2+][C@H]2CCC[C@H]2C[NH3+])cs1 ZINC000226324266 384978299 /nfs/dbraw/zinc/97/82/99/384978299.db2.gz GSEMUAPLLRXNKS-JQWIXIFHSA-N 2 0 239.388 1.711 20 0 BDADRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@H](C)O)CC1 ZINC000644585233 384986020 /nfs/dbraw/zinc/98/60/20/384986020.db2.gz CQUWJTVLZIUHBZ-ZDUSSCGKSA-N 2 0 242.407 1.715 20 0 BDADRP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423494611 385001090 /nfs/dbraw/zinc/00/10/90/385001090.db2.gz SIOZZULIONNINA-RWMBFGLXSA-N 2 0 226.364 1.389 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000226399635 385006877 /nfs/dbraw/zinc/00/68/77/385006877.db2.gz JFMWSKZWXFSPBK-ZWNOBZJWSA-N 2 0 241.379 1.103 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000226399648 385008755 /nfs/dbraw/zinc/00/87/55/385008755.db2.gz JFMWSKZWXFSPBK-GWCFXTLKSA-N 2 0 241.379 1.103 20 0 BDADRP C[NH2+]CC1CC[NH+](Cc2ccns2)CC1 ZINC000404516274 385023093 /nfs/dbraw/zinc/02/30/93/385023093.db2.gz VYSWMCQQALFICR-UHFFFAOYSA-N 2 0 225.361 1.575 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCc2cccnc2)C1 ZINC000086403253 385012740 /nfs/dbraw/zinc/01/27/40/385012740.db2.gz JUEFAQSFQTXMDC-STQMWFEESA-N 2 0 219.332 1.484 20 0 BDADRP CC(C)(O)CC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000370120441 384963343 /nfs/dbraw/zinc/96/33/43/384963343.db2.gz NUIGWVXDBLELHR-UHFFFAOYSA-N 2 0 240.391 1.708 20 0 BDADRP CSC1(C[NH2+]C(C)C)CC[NH+](C)CC1 ZINC000308739971 385047456 /nfs/dbraw/zinc/04/74/56/385047456.db2.gz NZSLXBCQKBLIQD-UHFFFAOYSA-N 2 0 216.394 1.812 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccoc1 ZINC000130613588 385049474 /nfs/dbraw/zinc/04/94/74/385049474.db2.gz PUOVNZRSOXHBRH-VXGBXAGGSA-N 2 0 208.305 1.887 20 0 BDADRP C[C@@](CN)([NH2+]CCC1CC[NH2+]CC1)C1CC1 ZINC000359215974 385064085 /nfs/dbraw/zinc/06/40/85/385064085.db2.gz KQVSYVYBIIAERY-ZDUSSCGKSA-N 2 0 225.380 1.093 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC1CCOCC1 ZINC000404799787 385073168 /nfs/dbraw/zinc/07/31/68/385073168.db2.gz KFGISAPRDJWPJR-MNOVXSKESA-N 2 0 212.337 1.128 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](CO)c1ccccc1 ZINC000310456912 385076392 /nfs/dbraw/zinc/07/63/92/385076392.db2.gz ZKYGCFIABWVKFY-JSGCOSHPSA-N 2 0 236.359 1.827 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]Cc1ccccc1OC(F)F ZINC000310383652 385024094 /nfs/dbraw/zinc/02/40/94/385024094.db2.gz HHWXAIDTWUWNLW-VIFPVBQESA-N 2 0 244.285 1.972 20 0 BDADRP CC[C@H](C[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C)OC ZINC000310012545 385024451 /nfs/dbraw/zinc/02/44/51/385024451.db2.gz JEUCCRJXAVOAAX-JHJVBQTASA-N 2 0 228.380 1.731 20 0 BDADRP CC[C@@H](O)C[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000644621117 385028526 /nfs/dbraw/zinc/02/85/26/385028526.db2.gz QXKCHCXGGLVLGB-CHWSQXEVSA-N 2 0 228.380 1.611 20 0 BDADRP COCC[N@H+](C)[C@@H]1CCC[NH+](CCOC)CC1 ZINC000156978730 385029870 /nfs/dbraw/zinc/02/98/70/385029870.db2.gz YGNPKMWBUXLGSF-CYBMUJFWSA-N 2 0 244.379 1.066 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CCC[NH+]1CCCCC1 ZINC000310522357 385105540 /nfs/dbraw/zinc/10/55/40/385105540.db2.gz MHVFIRBDLKGQGO-AWEZNQCLSA-N 3 0 241.423 1.970 20 0 BDADRP CC[C@@H](N[C@H](C)C[NH+](CC)CC)[C@@H]1CCC[NH2+]1 ZINC000422720516 385193100 /nfs/dbraw/zinc/19/31/00/385193100.db2.gz SPEXUQWKTCDXER-MCIONIFRSA-N 2 0 241.423 1.837 20 0 BDADRP C1CC12C[C@H]2[NH2+][C@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000424370098 385150928 /nfs/dbraw/zinc/15/09/28/385150928.db2.gz CQWAEUVCAKKULF-ZDEQEGDKSA-N 2 0 236.359 1.286 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccncc2)C1 ZINC000162187796 385166833 /nfs/dbraw/zinc/16/68/33/385166833.db2.gz ZRXCTXRPLBVRIS-CMPLNLGQSA-N 2 0 205.305 1.251 20 0 BDADRP c1cc(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)n[nH]1 ZINC000647480685 385169668 /nfs/dbraw/zinc/16/96/68/385169668.db2.gz XHNAPRILTWCXKV-WCQYABFASA-N 2 0 234.347 1.374 20 0 BDADRP C[C@@H]([NH2+]C1CCSCC1)[C@@H]1CCC[NH2+]1 ZINC000306712918 385174406 /nfs/dbraw/zinc/17/44/06/385174406.db2.gz AEKTYWMBTLLEHD-KOLCDFICSA-N 2 0 214.378 1.612 20 0 BDADRP CC(C)[C@@H](CO)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000308850114 385209886 /nfs/dbraw/zinc/20/98/86/385209886.db2.gz NXWSYUHWDHIVPG-NWDGAFQWSA-N 2 0 214.353 1.077 20 0 BDADRP Cc1ccccc1[C@@H]([NH3+])C(=O)N[C@@H](C)CCC[NH3+] ZINC000647064752 385210237 /nfs/dbraw/zinc/21/02/37/385210237.db2.gz XDUBEHLEZFJGEU-WCQYABFASA-N 2 0 249.358 1.238 20 0 BDADRP C[C@H](CCC[NH3+])NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000647064695 385210985 /nfs/dbraw/zinc/21/09/85/385210985.db2.gz PVQKFNFGLDTZCN-DGCLKSJQSA-N 2 0 249.358 1.320 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@@H]2CCCO2)C[C@@H]1C[NH3+] ZINC000164658510 385223309 /nfs/dbraw/zinc/22/33/09/385223309.db2.gz NPILWZJRIFCJCP-AGIUHOORSA-N 2 0 226.364 1.472 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000647076331 385234281 /nfs/dbraw/zinc/23/42/81/385234281.db2.gz ZKIVUGSNIMPRNC-TVQRCGJNSA-N 2 0 245.326 1.226 20 0 BDADRP [NH3+]CCCC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000647085142 385248762 /nfs/dbraw/zinc/24/87/62/385248762.db2.gz QTMODPOFEQOUTA-ZDUSSCGKSA-N 2 0 249.358 1.322 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)CCC(C)(C)[NH3+] ZINC000647648805 385251001 /nfs/dbraw/zinc/25/10/01/385251001.db2.gz HUTPWDJFODCUFA-QWRGUYRKSA-N 2 0 241.379 1.232 20 0 BDADRP CC(C)[C@@](C)(O)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000308959858 385311257 /nfs/dbraw/zinc/31/12/57/385311257.db2.gz FRJLZIAYEYBEKR-RYUDHWBXSA-N 2 0 216.369 1.501 20 0 BDADRP C[C@H]([NH3+])C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000166742756 385278132 /nfs/dbraw/zinc/27/81/32/385278132.db2.gz PESKJIKAHSDKDU-JTQLQIEISA-N 2 0 235.331 1.076 20 0 BDADRP CC[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)OC ZINC000308928403 385288779 /nfs/dbraw/zinc/28/87/79/385288779.db2.gz QQQVWVAZKKFFOE-IJLUTSLNSA-N 2 0 214.353 1.484 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)[C@@H]1C ZINC000308988988 385333674 /nfs/dbraw/zinc/33/36/74/385333674.db2.gz NASAMZQSYIJDQR-WZRBSPASSA-N 2 0 210.365 1.962 20 0 BDADRP Cc1ccc(O)c(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000228151804 385350055 /nfs/dbraw/zinc/35/00/55/385350055.db2.gz CUHYHOOCBKVKES-WDEREUQCSA-N 2 0 235.331 1.265 20 0 BDADRP CO[C@H](C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000400168271 385326602 /nfs/dbraw/zinc/32/66/02/385326602.db2.gz MCXUCKVLLWXSAE-BXUZGUMPSA-N 2 0 238.375 1.485 20 0 BDADRP CO[C@H](C)CC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000309067515 385391946 /nfs/dbraw/zinc/39/19/46/385391946.db2.gz AHCOCIQYCUWGFR-UTUOFQBUSA-N 2 0 214.353 1.341 20 0 BDADRP CO[C@H](C)CC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000309067512 385392025 /nfs/dbraw/zinc/39/20/25/385392025.db2.gz AHCOCIQYCUWGFR-IJLUTSLNSA-N 2 0 214.353 1.341 20 0 BDADRP CC(C)n1nccc1CN(C)C1CC([NH3+])C1 ZINC000394615340 385442421 /nfs/dbraw/zinc/44/24/21/385442421.db2.gz RBXJCHYQYKWEKP-UHFFFAOYSA-N 2 0 222.336 1.386 20 0 BDADRP Fc1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000364441892 385444833 /nfs/dbraw/zinc/44/48/33/385444833.db2.gz GOQKCHLADPWMIB-CHWSQXEVSA-N 2 0 249.333 1.937 20 0 BDADRP CC[C@H](CSC)[NH2+][C@H](C)CCC[NH3+] ZINC000308198829 385487307 /nfs/dbraw/zinc/48/73/07/385487307.db2.gz OQKOFPHUVQCYNU-NXEZZACHSA-N 2 0 204.383 1.845 20 0 BDADRP C([C@H]1CCCCO1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000257745265 385496751 /nfs/dbraw/zinc/49/67/51/385496751.db2.gz ZOMPOJNXJWNGGL-CYBMUJFWSA-N 2 0 238.375 1.631 20 0 BDADRP CCn1ccnc1CN1CC[C@@H](C[NH+](C)C)C1 ZINC000172197223 385533111 /nfs/dbraw/zinc/53/31/11/385533111.db2.gz WESZFSYSMFJCTQ-LBPRGKRZSA-N 2 0 236.363 1.287 20 0 BDADRP COC1(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)CCCC1 ZINC000319151419 385551004 /nfs/dbraw/zinc/55/10/04/385551004.db2.gz JMMJKBZBIRNEGJ-CYBMUJFWSA-N 2 0 238.375 1.631 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)C1CCOCC1 ZINC000309434073 385579728 /nfs/dbraw/zinc/57/97/28/385579728.db2.gz YBLMOGMSLGKHNR-VXGBXAGGSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])C1CCOCC1 ZINC000309434071 385580535 /nfs/dbraw/zinc/58/05/35/385580535.db2.gz YBLMOGMSLGKHNR-NWDGAFQWSA-N 2 0 228.380 1.909 20 0 BDADRP COC[C@@H]([NH2+]CCn1ccnc1)c1ccccc1 ZINC000181659513 385591817 /nfs/dbraw/zinc/59/18/17/385591817.db2.gz UXAXGPUDDKSAQI-CQSZACIVSA-N 2 0 245.326 1.860 20 0 BDADRP COC(=O)C1CCC([NH2+]C[C@H]2CCC[NH2+]2)CC1 ZINC000414849178 385626371 /nfs/dbraw/zinc/62/63/71/385626371.db2.gz QZVCPGLSCPGAPK-HTAVTVPLSA-N 2 0 240.347 1.060 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)CC[NH+](C)C ZINC000336680175 385630088 /nfs/dbraw/zinc/63/00/88/385630088.db2.gz GJKPQUHDWUSXSH-GHMZBOCLSA-N 3 0 201.358 1.044 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CC1(O)CCCCC1 ZINC000336683650 385651329 /nfs/dbraw/zinc/65/13/29/385651329.db2.gz ZFUMSKCXDQYGLM-GFCCVEGCSA-N 2 0 228.380 1.789 20 0 BDADRP CC(C)c1ccc([C@H]([NH3+])CN[C@H]2CC[NH2+]C2)cc1 ZINC000414851335 385651642 /nfs/dbraw/zinc/65/16/42/385651642.db2.gz UBEGVIBWKDFRQI-LSDHHAIUSA-N 2 0 247.386 1.761 20 0 BDADRP COc1cc(C[NH2+][C@@H](C)CCC[NH3+])ccn1 ZINC000336653382 385686397 /nfs/dbraw/zinc/68/63/97/385686397.db2.gz JJVNZOKPEONABZ-JTQLQIEISA-N 2 0 223.320 1.307 20 0 BDADRP CC[N@@H+]1CC[C@H](NCCC[NH+](C)C)[C@@H](C)C1 ZINC000221705942 385689217 /nfs/dbraw/zinc/68/92/17/385689217.db2.gz WHINNSFCBLSKAR-STQMWFEESA-N 2 0 227.396 1.258 20 0 BDADRP C[C@H]([NH2+]CCn1ccnc1)c1cccc(CO)c1 ZINC000270410320 385705639 /nfs/dbraw/zinc/70/56/39/385705639.db2.gz BVAKTGNYKQAZIK-LBPRGKRZSA-N 2 0 245.326 1.726 20 0 BDADRP CC(C)C[C@@H](CN)[NH2+][C@@H]1CCCOCC1 ZINC000414856381 385712093 /nfs/dbraw/zinc/71/20/93/385712093.db2.gz YUBLRZDLUMHGAW-NEPJUHHUSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@H]1CCOC1 ZINC000309580875 385713508 /nfs/dbraw/zinc/71/35/08/385713508.db2.gz QIGUBWUTYQDRQN-YPMHNXCESA-N 2 0 224.348 1.263 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000414856485 385713748 /nfs/dbraw/zinc/71/37/48/385713748.db2.gz ALUHQBLHWUDWMW-NEPJUHHUSA-N 2 0 214.353 1.389 20 0 BDADRP CC(C)C[C@H](C[NH3+])N[C@H](C)C[C@H]1CCC[NH2+]1 ZINC000414856748 385716572 /nfs/dbraw/zinc/71/65/72/385716572.db2.gz ZKZAIVPVTYTYCX-JHJVBQTASA-N 3 0 227.396 1.480 20 0 BDADRP CC[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000414851817 385666580 /nfs/dbraw/zinc/66/65/80/385666580.db2.gz VFMZKFZZWGPJIP-AGIUHOORSA-N 2 0 225.380 1.058 20 0 BDADRP CC[N@@H+]1CC[C@H](NC[C@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000414851820 385667768 /nfs/dbraw/zinc/66/77/68/385667768.db2.gz VFMZKFZZWGPJIP-UPJWGTAASA-N 2 0 225.380 1.058 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CC1(N(C)C)CCC1 ZINC000336684130 385668586 /nfs/dbraw/zinc/66/85/86/385668586.db2.gz KBBVOBJBJDQAMM-LLVKDONJSA-N 2 0 213.369 1.188 20 0 BDADRP CC[NH+]1CCC(N[C@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000128525133 385728494 /nfs/dbraw/zinc/72/84/94/385728494.db2.gz RTSHKKDBNHYXKO-JSGCOSHPSA-N 2 0 239.407 1.401 20 0 BDADRP C[NH2+]CCCN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000414858001 385729774 /nfs/dbraw/zinc/72/97/74/385729774.db2.gz HDFYCOFSBINTSQ-CHWSQXEVSA-N 2 0 227.396 1.496 20 0 BDADRP C[NH2+]CCC[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000414857516 385730426 /nfs/dbraw/zinc/73/04/26/385730426.db2.gz DPQOBJMDOABDPT-UHFFFAOYSA-N 2 0 244.342 1.776 20 0 BDADRP C[NH2+]CCC[NH2+]C[C@H](C)CC1CCOCC1 ZINC000414859778 385738447 /nfs/dbraw/zinc/73/84/47/385738447.db2.gz NSZCNFUVNRKEOV-GFCCVEGCSA-N 2 0 228.380 1.638 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]Cc1occc1C ZINC000336654761 385741143 /nfs/dbraw/zinc/74/11/43/385741143.db2.gz KHGHWKNQKRGXNM-NSHDSACASA-N 2 0 226.320 1.432 20 0 BDADRP CC(C)C[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000185880976 385742484 /nfs/dbraw/zinc/74/24/84/385742484.db2.gz QTYJKKSCNWHILP-CYBMUJFWSA-N 2 0 227.396 1.258 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000414860712 385743998 /nfs/dbraw/zinc/74/39/98/385743998.db2.gz QIYZDKXSDGUWNR-QJPTWQEYSA-N 2 0 224.348 1.143 20 0 BDADRP C[NH2+]CCC[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000414861623 385751457 /nfs/dbraw/zinc/75/14/57/385751457.db2.gz SILQRDMQUGCVNI-UHFFFAOYSA-N 2 0 248.370 1.753 20 0 BDADRP C[NH2+]CCC[NH2+][C@H](C)Cc1ccccc1F ZINC000414863192 385753530 /nfs/dbraw/zinc/75/35/30/385753530.db2.gz XBFJBOXRMABFAF-LLVKDONJSA-N 2 0 224.323 1.956 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000647797739 385788294 /nfs/dbraw/zinc/78/82/94/385788294.db2.gz AGKBKJGHTWTPFO-GWNIPJSYSA-N 2 0 208.349 1.763 20 0 BDADRP CC[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+]C[C@H]2C)[C@@H](C)C1 ZINC000414944721 385784814 /nfs/dbraw/zinc/78/48/14/385784814.db2.gz QGVHYMULYHWNDS-RQJABVFESA-N 2 0 239.407 1.304 20 0 BDADRP CCn1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000647799875 385799062 /nfs/dbraw/zinc/79/90/62/385799062.db2.gz RYYWORHIAUISTB-JHJVBQTASA-N 2 0 248.374 1.381 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647799959 385803107 /nfs/dbraw/zinc/80/31/07/385803107.db2.gz VSEJVLUJMWTILR-ITGHMWBKSA-N 2 0 238.375 1.532 20 0 BDADRP COC[C@H](CC(C)C)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414946656 385808945 /nfs/dbraw/zinc/80/89/45/385808945.db2.gz UQBUCIXKCRSAKJ-AGIUHOORSA-N 2 0 228.380 1.635 20 0 BDADRP CS[C@H](CO)[C@@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000336715562 385812827 /nfs/dbraw/zinc/81/28/27/385812827.db2.gz WUDOUPMWOBYVOT-GMTAPVOTSA-N 2 0 234.409 1.206 20 0 BDADRP CC[C@H](COC)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414949898 385815504 /nfs/dbraw/zinc/81/55/04/385815504.db2.gz NYUMJTYXCPLBNK-MXWKQRLJSA-N 2 0 200.326 1.142 20 0 BDADRP CC[NH2+][C@H](C)CN[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000414954777 385829773 /nfs/dbraw/zinc/82/97/73/385829773.db2.gz KWAQZSLNWXVIPT-JHJVBQTASA-N 2 0 227.396 1.304 20 0 BDADRP CCCC[N@H+](C)CCNC(=O)C[NH+](CC)CC ZINC000112308690 385837648 /nfs/dbraw/zinc/83/76/48/385837648.db2.gz SPGYMURAIPESQX-UHFFFAOYSA-N 2 0 243.395 1.176 20 0 BDADRP C[C@@H]([NH2+]C[C@]1(O)CCN(C)C1)c1cccs1 ZINC000336740864 385839833 /nfs/dbraw/zinc/83/98/33/385839833.db2.gz MPQQVQWOCRMDTA-ZYHUDNBSSA-N 2 0 240.372 1.465 20 0 BDADRP [NH3+]Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000262407676 385842964 /nfs/dbraw/zinc/84/29/64/385842964.db2.gz CBAKIKIGELKODW-QWHCGFSZSA-N 2 0 247.342 1.003 20 0 BDADRP CCN(CC)c1ncc(CN[C@@H](C)C[NH3+])s1 ZINC000414956523 385846290 /nfs/dbraw/zinc/84/62/90/385846290.db2.gz PTNWOTNXROHYEJ-VIFPVBQESA-N 2 0 242.392 1.426 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000414871134 385853529 /nfs/dbraw/zinc/85/35/29/385853529.db2.gz DAIRISIRXAKKMS-VIFPVBQESA-N 2 0 218.304 1.247 20 0 BDADRP CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647797839 385790301 /nfs/dbraw/zinc/79/03/01/385790301.db2.gz DQSBXICYQMQXIL-ODXJTPSBSA-N 2 0 238.375 1.532 20 0 BDADRP CCC1([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647798346 385794005 /nfs/dbraw/zinc/79/40/05/385794005.db2.gz PXYFQKYESHRAIG-SDDRHHMPSA-N 2 0 208.349 1.907 20 0 BDADRP CSC1(C[NH2+][C@H]2CCOC2)CC[NH+](C)CC1 ZINC000336707584 385794449 /nfs/dbraw/zinc/79/44/49/385794449.db2.gz QGQNAMXJCGLTRD-NSHDSACASA-N 2 0 244.404 1.192 20 0 BDADRP CC[C@H](C)C[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000093074675 385884483 /nfs/dbraw/zinc/88/44/83/385884483.db2.gz UYRBTOFOCIMJJT-STQMWFEESA-N 2 0 227.396 1.258 20 0 BDADRP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@@H]1CCCCO1 ZINC000308880160 385902902 /nfs/dbraw/zinc/90/29/02/385902902.db2.gz VLCJCVCNJPKBNV-RYUDHWBXSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@H](C)Cc1ccccc1F ZINC000414876596 385909469 /nfs/dbraw/zinc/90/94/69/385909469.db2.gz LTUDCHJYNZLMRB-GHMZBOCLSA-N 2 0 224.323 1.941 20 0 BDADRP COCC(C)(C)C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414964683 385909885 /nfs/dbraw/zinc/90/98/85/385909885.db2.gz MRGSUUBCGJGOHG-GFCCVEGCSA-N 2 0 228.380 1.781 20 0 BDADRP C[NH+](C)CCC[NH2+]CCC1CCOCC1 ZINC000308965474 385921745 /nfs/dbraw/zinc/92/17/45/385921745.db2.gz MDMPURPPWQQWAI-UHFFFAOYSA-N 2 0 214.353 1.344 20 0 BDADRP C[C@@H](Cn1cccn1)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414959433 385867272 /nfs/dbraw/zinc/86/72/72/385867272.db2.gz FJVOKEVLUKCUDZ-QWHCGFSZSA-N 2 0 236.363 1.393 20 0 BDADRP C[C@H]1CCCN(C(=O)CCC(C)(C)[NH3+])[C@H]1C[NH3+] ZINC000647819616 385870558 /nfs/dbraw/zinc/87/05/58/385870558.db2.gz HZHZOPAEBYPHTQ-QWRGUYRKSA-N 2 0 241.379 1.090 20 0 BDADRP C[C@@H](C[NH2+]CC1([NH3+])CCC1)CC1CCOCC1 ZINC000414877815 385927942 /nfs/dbraw/zinc/92/79/42/385927942.db2.gz NHIZZBQFVMSUCC-GFCCVEGCSA-N 2 0 240.391 1.910 20 0 BDADRP C[C@@H]1C[NH2+]CCN1CCCC1CC[NH2+]CC1 ZINC000647828427 385875936 /nfs/dbraw/zinc/87/59/36/385875936.db2.gz CMNLLGNUEBPPEO-GFCCVEGCSA-N 2 0 225.380 1.060 20 0 BDADRP Cc1ccc(C[NH2+]C[C@H](C)C[NH3+])cc1F ZINC000414873741 385880541 /nfs/dbraw/zinc/88/05/41/385880541.db2.gz HWEOCFHANYYFJN-SECBINFHSA-N 2 0 210.296 1.819 20 0 BDADRP CN(CCCC1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC000647838020 385881318 /nfs/dbraw/zinc/88/13/18/385881318.db2.gz GHKLQFOIOQKCJK-ZDUSSCGKSA-N 2 0 225.380 1.060 20 0 BDADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000295131157 385975942 /nfs/dbraw/zinc/97/59/42/385975942.db2.gz OMSOQODVFJSWCI-QWHCGFSZSA-N 2 0 247.342 1.472 20 0 BDADRP CC[NH+]1CCC(N[C@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000335019225 385977161 /nfs/dbraw/zinc/97/71/61/385977161.db2.gz LUKIJDIPZXASIT-OCCSQVGLSA-N 2 0 239.407 1.448 20 0 BDADRP C([NH2+][C@H]1CCC12CCC2)[C@@H]1CCC[NH2+]C1 ZINC000335019550 385978211 /nfs/dbraw/zinc/97/82/11/385978211.db2.gz PXNXXJWKVICCLG-NEPJUHHUSA-N 2 0 208.349 1.908 20 0 BDADRP C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CCC[NH2+]C2)cc1 ZINC000335018784 385978741 /nfs/dbraw/zinc/97/87/41/385978741.db2.gz KVDPOYIQJCREIK-GWCFXTLKSA-N 2 0 247.342 1.188 20 0 BDADRP C[C@H]([NH3+])c1ccc(C(=O)N2CC[NH2+]C[C@H]2C)cc1 ZINC000335020736 385981516 /nfs/dbraw/zinc/98/15/16/385981516.db2.gz PGXYVPTULUEKIJ-MNOVXSKESA-N 2 0 247.342 1.140 20 0 BDADRP Cc1cc(C[NH2+]CCC[C@H]2CCC[NH2+]2)nn1C ZINC000414971891 385991703 /nfs/dbraw/zinc/99/17/03/385991703.db2.gz WZLGDIUZXBDSIW-LBPRGKRZSA-N 2 0 236.363 1.350 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000335039995 385931863 /nfs/dbraw/zinc/93/18/63/385931863.db2.gz NYOKTZXOTSDIQM-KBPBESRZSA-N 3 0 239.407 1.578 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000335040258 385933972 /nfs/dbraw/zinc/93/39/72/385933972.db2.gz DDSWLUMWSDZPFV-HUUCEWRRSA-N 2 0 230.355 1.871 20 0 BDADRP CC1([NH3+])CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC000647924094 385939123 /nfs/dbraw/zinc/93/91/23/385939123.db2.gz FAIPRMUIYVSNKW-LBPRGKRZSA-N 2 0 226.364 1.759 20 0 BDADRP CCn1nc(C)c(C[NH2+]C[C@@H](C)C[NH3+])c1C ZINC000414879120 385946206 /nfs/dbraw/zinc/94/62/06/385946206.db2.gz PCGIYWYRECMCRJ-VIFPVBQESA-N 2 0 224.352 1.204 20 0 BDADRP CC[C@H]([NH2+]CCC[N@H+](C)CCOC)[C@@H]1C[C@H]1C ZINC000414075135 385948364 /nfs/dbraw/zinc/94/83/64/385948364.db2.gz XKDHJOCPQRCINS-MCIONIFRSA-N 2 0 242.407 1.979 20 0 BDADRP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)[C@@H]1C[C@H]1C ZINC000414080236 385948917 /nfs/dbraw/zinc/94/89/17/385948917.db2.gz UKFJPBBVKKJJGD-RQJABVFESA-N 2 0 240.391 1.467 20 0 BDADRP CC[NH+](CC)CCC[N@H+](C)[C@H]1CCCC[C@H]1O ZINC000338305390 385953555 /nfs/dbraw/zinc/95/35/55/385953555.db2.gz JWWZXQOLDMPPLV-UONOGXRCSA-N 2 0 242.407 1.954 20 0 BDADRP CC1([NH3+])CCN(Cc2cn3cccnc3n2)CC1 ZINC000647924808 385958127 /nfs/dbraw/zinc/95/81/27/385958127.db2.gz LPXGOFPWPLQYJT-UHFFFAOYSA-N 2 0 245.330 1.043 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)Nc1ccc(C[NH3+])cc1 ZINC000295082712 385960074 /nfs/dbraw/zinc/96/00/74/385960074.db2.gz ILMBBZDRUNUBOL-CYBMUJFWSA-N 2 0 235.331 1.601 20 0 BDADRP C[C@@H]([NH3+])CCC(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000335059889 385961238 /nfs/dbraw/zinc/96/12/38/385961238.db2.gz FZFAOMYVHNQYEG-PWSUYJOCSA-N 2 0 247.342 1.030 20 0 BDADRP CCc1nn(C)c(CC)c1C[NH2+]C[C@@H](C)C[NH3+] ZINC000414880023 385962662 /nfs/dbraw/zinc/96/26/62/385962662.db2.gz QHWXANHQVUSRIC-JTQLQIEISA-N 2 0 238.379 1.229 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1NCC1([NH3+])CCCCC1 ZINC000335012376 385968065 /nfs/dbraw/zinc/96/80/65/385968065.db2.gz YYEDQMGYMHXRBV-QWHCGFSZSA-N 3 0 239.407 1.578 20 0 BDADRP CCCC[C@@H](COC)[NH2+]CC1([NH3+])CCC1 ZINC000414881266 385994212 /nfs/dbraw/zinc/99/42/12/385994212.db2.gz SCZWOGUSYSPPOZ-NSHDSACASA-N 2 0 214.353 1.663 20 0 BDADRP COC[C@@H](C)[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000336769377 385972443 /nfs/dbraw/zinc/97/24/43/385972443.db2.gz RRVCTBKOJLJYJO-LLVKDONJSA-N 2 0 246.420 1.438 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CC[C@H](O)C2)CC1 ZINC000189282752 385973291 /nfs/dbraw/zinc/97/32/91/385973291.db2.gz BFTSVEHFKNKUDS-OCCSQVGLSA-N 2 0 240.391 1.610 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]C[C@H]2CC[C@@H](O)C2)CC1 ZINC000189282806 385973511 /nfs/dbraw/zinc/97/35/11/385973511.db2.gz BFTSVEHFKNKUDS-GXTWGEPZSA-N 2 0 240.391 1.610 20 0 BDADRP Cc1noc(C)c1CN1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000335066244 386005327 /nfs/dbraw/zinc/00/53/27/386005327.db2.gz RPLUMYXPENLEAX-OCCSQVGLSA-N 2 0 249.358 1.817 20 0 BDADRP Cc1ccc([C@H]([NH3+])C(=O)N[C@@H](C)CCC[NH3+])cc1 ZINC000295320349 386010864 /nfs/dbraw/zinc/01/08/64/386010864.db2.gz WUIPTOZBFQRTOY-AAEUAGOBSA-N 2 0 249.358 1.238 20 0 BDADRP COC1(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)CCCC1 ZINC000309493066 386014272 /nfs/dbraw/zinc/01/42/72/386014272.db2.gz JHSZOSDGFGSMAZ-RYUDHWBXSA-N 2 0 226.364 1.805 20 0 BDADRP CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000414178277 386020084 /nfs/dbraw/zinc/02/00/84/386020084.db2.gz JEIPNKXHTUSMEC-MNOVXSKESA-N 2 0 233.315 1.847 20 0 BDADRP CC[N@@H+]1CC[C@@H](N[C@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000414882728 386021317 /nfs/dbraw/zinc/02/13/17/386021317.db2.gz CFXRFLQTAJEATB-FRRDWIJNSA-N 3 0 225.380 1.058 20 0 BDADRP CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000336771258 386033697 /nfs/dbraw/zinc/03/36/97/386033697.db2.gz UIJJVTLSECFQRQ-WUHRBBMRSA-N 2 0 226.364 1.484 20 0 BDADRP CC(C)n1cc(C[NH2+][C@@H](C)CC[NH3+])cn1 ZINC000414883661 386038927 /nfs/dbraw/zinc/03/89/27/386038927.db2.gz NENACSSUTJOGRO-JTQLQIEISA-N 2 0 210.325 1.291 20 0 BDADRP CCc1ncc(C[NH2+]C[C@@H](C)C[NH3+])s1 ZINC000414884874 386053352 /nfs/dbraw/zinc/05/33/52/386053352.db2.gz WMCOLEOWDAGOIQ-QMMMGPOBSA-N 2 0 213.350 1.390 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+]C[C@H](C)CC1CCOCC1 ZINC000414980458 386053261 /nfs/dbraw/zinc/05/32/61/386053261.db2.gz PLJPTFJHTWFXHZ-DGCLKSJQSA-N 2 0 228.380 1.766 20 0 BDADRP Cn1ccnc1CN1CCCC12CC[NH+](C)CC2 ZINC000334454553 386102281 /nfs/dbraw/zinc/10/22/81/386102281.db2.gz FKBJQANAQBRKCS-UHFFFAOYSA-N 2 0 248.374 1.480 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414665200 386107590 /nfs/dbraw/zinc/10/75/90/386107590.db2.gz UUJDOEKVCJTPSP-SYQHCUMBSA-N 3 0 239.407 1.434 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+](CC(C)(C)O)C1CC1 ZINC000189889602 386113438 /nfs/dbraw/zinc/11/34/38/386113438.db2.gz YIVWIDYWCOJAGT-GFCCVEGCSA-N 2 0 240.391 1.706 20 0 BDADRP C[C@H](CC[NH3+])[NH2+]Cc1cc(O)cc(F)c1 ZINC000414889932 386119792 /nfs/dbraw/zinc/11/97/92/386119792.db2.gz GUCJRESOLWQWJW-MRVPVSSYSA-N 2 0 212.268 1.358 20 0 BDADRP COCC[C@H](C)C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000414205999 386059715 /nfs/dbraw/zinc/05/97/15/386059715.db2.gz PPLOAJOSKVVVMT-XQQFMLRXSA-N 2 0 228.380 1.589 20 0 BDADRP COCC1(C[NH2+][C@@H](C)C2CCC2)CC[NH2+]CC1 ZINC000414981940 386064168 /nfs/dbraw/zinc/06/41/68/386064168.db2.gz XXSTWLFBYVOKIO-LBPRGKRZSA-N 2 0 240.391 1.781 20 0 BDADRP C[NH2+]C[C@H]1CCCN(C[C@H]([NH3+])CC(C)C)C1 ZINC000414651154 386070205 /nfs/dbraw/zinc/07/02/05/386070205.db2.gz FGYXTOPHTUSGHY-CHWSQXEVSA-N 2 0 227.396 1.291 20 0 BDADRP C[C@@H](CC[NH3+])[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000414886365 386074876 /nfs/dbraw/zinc/07/48/76/386074876.db2.gz PVBIXTDWBOCSRG-LBPRGKRZSA-N 3 0 244.342 1.699 20 0 BDADRP [NH3+][C@@H](C[NH2+][C@@H]1CCc2ccccc2C1)C1CC1 ZINC000414886728 386078574 /nfs/dbraw/zinc/07/85/74/386078574.db2.gz HWBPSLPCLJOUHF-CABCVRRESA-N 2 0 230.355 1.871 20 0 BDADRP C[C@H]1[NH2+]CCN(CCCC2CC[NH2+]CC2)[C@H]1C ZINC000647941193 386079711 /nfs/dbraw/zinc/07/97/11/386079711.db2.gz CKDDCMBCZUPEOB-OLZOCXBDSA-N 2 0 239.407 1.448 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000414657120 386084952 /nfs/dbraw/zinc/08/49/52/386084952.db2.gz JPVLXJWPYCKRIE-AVGNSLFASA-N 2 0 227.396 1.419 20 0 BDADRP C[C@H]1C[C@H](C[N@H+](C)CC(C)(C)C[NH3+])CC[NH2+]1 ZINC000414663326 386096450 /nfs/dbraw/zinc/09/64/50/386096450.db2.gz REEHECCYABFRJY-NWDGAFQWSA-N 3 0 227.396 1.291 20 0 BDADRP CSCCCC[NH2+][C@H](C)CCC[NH3+] ZINC000336643347 386144501 /nfs/dbraw/zinc/14/45/01/386144501.db2.gz GWELVVHAHRLVDR-SNVBAGLBSA-N 2 0 204.383 1.847 20 0 BDADRP CCCN(C[C@H]([NH3+])CC(C)C)[C@H]1CC[NH2+]C1 ZINC000414676216 386149833 /nfs/dbraw/zinc/14/98/33/386149833.db2.gz RVWPUBYCSMOFGQ-OLZOCXBDSA-N 2 0 227.396 1.434 20 0 BDADRP C[C@@H](CC[NH3+])[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000414892656 386154410 /nfs/dbraw/zinc/15/44/10/386154410.db2.gz XFENYOBLNKRHRL-JTQLQIEISA-N 2 0 245.326 1.767 20 0 BDADRP C[C@H](CC[NH3+])[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000414892657 386154567 /nfs/dbraw/zinc/15/45/67/386154567.db2.gz XFENYOBLNKRHRL-SNVBAGLBSA-N 2 0 245.326 1.767 20 0 BDADRP CC(C)[N@H+](CCO)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414677741 386157662 /nfs/dbraw/zinc/15/76/62/386157662.db2.gz JMKGCMONHNYVCE-NWDGAFQWSA-N 2 0 214.353 1.077 20 0 BDADRP CCC[N@H+](CCO)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414681685 386163366 /nfs/dbraw/zinc/16/33/66/386163366.db2.gz PRWYYGXEDWZNTH-RYUDHWBXSA-N 2 0 214.353 1.079 20 0 BDADRP CCCCC[N@H+](CCO)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414681584 386165215 /nfs/dbraw/zinc/16/52/15/386165215.db2.gz PMNUNKUQHNOXFW-ZIAGYGMSSA-N 2 0 242.407 1.859 20 0 BDADRP CC(C)C[C@H]([NH3+])C[N@@H+]1CCCC[C@H]1CC(N)=O ZINC000414683105 386166080 /nfs/dbraw/zinc/16/60/80/386166080.db2.gz AQASNPJCKSUANA-RYUDHWBXSA-N 2 0 241.379 1.090 20 0 BDADRP CC(C)(C)[NH2+]CCN(C[C@H]1CCOC1)C1CC1 ZINC000414682543 386169724 /nfs/dbraw/zinc/16/97/24/386169724.db2.gz YKRCZHCHQCGSHL-GFCCVEGCSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CC[C@@H](C[NH+](C)C)C1 ZINC000414685981 386174254 /nfs/dbraw/zinc/17/42/54/386174254.db2.gz ADBHMABZVSNMJO-QWHCGFSZSA-N 2 0 227.396 1.243 20 0 BDADRP C[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)[C@@H]1CO ZINC000190425694 386179576 /nfs/dbraw/zinc/17/95/76/386179576.db2.gz NYNRJIIERZFAIW-ZIAGYGMSSA-N 2 0 240.391 1.565 20 0 BDADRP C[NH+](C)C[C@@H]1CCN(Cc2cncc(F)c2)C1 ZINC000275128215 386182033 /nfs/dbraw/zinc/18/20/33/386182033.db2.gz LCOHGCABFGCRKP-NSHDSACASA-N 2 0 237.322 1.604 20 0 BDADRP CC[C@H]([NH3+])C[NH2+]C1Cc2ccccc2C1 ZINC000414997093 386189221 /nfs/dbraw/zinc/18/92/21/386189221.db2.gz YSMJKZIFWVITSK-LBPRGKRZSA-N 2 0 204.317 1.481 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCOC[C@H]2C2CC2)CC[NH2+]1 ZINC000414700959 386202595 /nfs/dbraw/zinc/20/25/95/386202595.db2.gz KJOHRLCGKPNLHE-BZPMIXESSA-N 2 0 238.375 1.485 20 0 BDADRP C[NH+](C)CC1CC[NH+](CCc2ccncc2)CC1 ZINC000340285263 386204278 /nfs/dbraw/zinc/20/42/78/386204278.db2.gz WQXWBZKFSIZBCJ-UHFFFAOYSA-N 2 0 247.386 1.898 20 0 BDADRP C[N@H+](CCOC1CCC1)C[C@@H]1CCC[NH+](C)C1 ZINC000347059634 386209294 /nfs/dbraw/zinc/20/92/94/386209294.db2.gz RHAGDDWGFZFHTE-CYBMUJFWSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@H](C[N@H+](C)CCC[NH3+])c1nccs1 ZINC000414703648 386213566 /nfs/dbraw/zinc/21/35/66/386213566.db2.gz CQMKWUHCXMUZQK-SECBINFHSA-N 2 0 213.350 1.527 20 0 BDADRP CC(C)CO[C@@H]1CC[N@H+](CCC[NH3+])C1 ZINC000414704122 386214023 /nfs/dbraw/zinc/21/40/23/386214023.db2.gz JJCHJLRXZOYJGI-LLVKDONJSA-N 2 0 200.326 1.082 20 0 BDADRP C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)CCC[NH3+] ZINC000414707659 386219411 /nfs/dbraw/zinc/21/94/11/386219411.db2.gz MZECKIKSLLHUOZ-RISCZKNCSA-N 2 0 234.343 1.659 20 0 BDADRP C[C@@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)CCC[NH3+] ZINC000414707657 386219804 /nfs/dbraw/zinc/21/98/04/386219804.db2.gz MZECKIKSLLHUOZ-FZMZJTMJSA-N 2 0 234.343 1.659 20 0 BDADRP C[C@H]1C[C@@H](C[NH2+]C(C)(C)CCO)CC[NH2+]1 ZINC000414706367 386220248 /nfs/dbraw/zinc/22/02/48/386220248.db2.gz LRIDDNWPFGAJDA-QWRGUYRKSA-N 2 0 214.353 1.125 20 0 BDADRP COc1ccc(CC[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000131767774 386221889 /nfs/dbraw/zinc/22/18/89/386221889.db2.gz UYKCOJDKZSGIMB-GXTWGEPZSA-N 2 0 248.370 1.907 20 0 BDADRP [NH3+]CCC[N@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000414709661 386225076 /nfs/dbraw/zinc/22/50/76/386225076.db2.gz PBSCGPIZMNCESO-OAHLLOKOSA-N 2 0 248.370 1.669 20 0 BDADRP COCc1ccccc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000132182061 386227065 /nfs/dbraw/zinc/22/70/65/386227065.db2.gz YFIWDNQJJGAKCC-CYBMUJFWSA-N 2 0 248.370 1.922 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[NH2+]C(C)(C)CCO ZINC000414712039 386227563 /nfs/dbraw/zinc/22/75/63/386227563.db2.gz SEEQZGZBKSCNPR-SNVBAGLBSA-N 2 0 202.342 1.110 20 0 BDADRP Oc1ccc2c(c1)CC[N@@H+](C[C@@H]1CC[NH2+]C1)CC2 ZINC000647883000 386241570 /nfs/dbraw/zinc/24/15/70/386241570.db2.gz YUVKUIKTSXDWFE-GFCCVEGCSA-N 2 0 246.354 1.402 20 0 BDADRP Cc1ccncc1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415003528 386253116 /nfs/dbraw/zinc/25/31/16/386253116.db2.gz GBRQPTAKKJNAIK-LSDHHAIUSA-N 2 0 245.370 1.868 20 0 BDADRP CC(C)(C)C[N@H+](CCO)CCC1CC[NH2+]CC1 ZINC000647884493 386256992 /nfs/dbraw/zinc/25/69/92/386256992.db2.gz WBQWRCFZESUXGS-UHFFFAOYSA-N 2 0 242.407 1.717 20 0 BDADRP CC[N@H+](CC[C@H]1CCC[NH+]1C)[C@H]1CCOC1 ZINC000336647225 386257658 /nfs/dbraw/zinc/25/76/58/386257658.db2.gz FKFUREGGPURJRD-OLZOCXBDSA-N 2 0 226.364 1.582 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]C[C@@H]2CCSC2)C1 ZINC000414997345 386195605 /nfs/dbraw/zinc/19/56/05/386195605.db2.gz HFQUYQKUGPGIDM-GRYCIOLGSA-N 2 0 228.405 1.847 20 0 BDADRP CC(C)(C)[NH2+]CCN1CCC[C@H](CC[NH3+])C1 ZINC000414729780 386281079 /nfs/dbraw/zinc/28/10/79/386281079.db2.gz FJUUKRBBPFFGAO-GFCCVEGCSA-N 2 0 227.396 1.435 20 0 BDADRP C[C@H](O)CCC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000336663625 386284946 /nfs/dbraw/zinc/28/49/46/386284946.db2.gz CPZMNYRPNJOMGG-RYUDHWBXSA-N 2 0 214.353 1.031 20 0 BDADRP C[C@@H](O)CCC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000336663623 386285775 /nfs/dbraw/zinc/28/57/75/386285775.db2.gz CPZMNYRPNJOMGG-NEPJUHHUSA-N 2 0 214.353 1.031 20 0 BDADRP C[C@H]1c2cccn2CC[N@H+]1CCc1cncn1C ZINC000289348909 386287548 /nfs/dbraw/zinc/28/75/48/386287548.db2.gz MTWOZVCLVPHKND-LBPRGKRZSA-N 2 0 244.342 1.841 20 0 BDADRP C([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)[C@@H]1CC[NH2+]C1 ZINC000414900971 386290826 /nfs/dbraw/zinc/29/08/26/386290826.db2.gz FOUJEODIFJIARY-LPWJVIDDSA-N 2 0 236.359 1.143 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000415003582 386261602 /nfs/dbraw/zinc/26/16/02/386261602.db2.gz PDEJQCCYGDMWQW-GMTAPVOTSA-N 2 0 247.333 1.104 20 0 BDADRP Cc1nccn1CCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428039477 386271132 /nfs/dbraw/zinc/27/11/32/386271132.db2.gz FGLYGPVADCYIQD-ZIAGYGMSSA-N 2 0 248.374 1.265 20 0 BDADRP C([C@@H]1CC[NH2+]C1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000647987700 386278471 /nfs/dbraw/zinc/27/84/71/386278471.db2.gz RVMXJXQHFGEHHU-TZMCWYRMSA-N 3 0 237.391 1.060 20 0 BDADRP C[NH2+]CCC[N@H+](CCO)CCc1ccccc1 ZINC000647885664 386278444 /nfs/dbraw/zinc/27/84/44/386278444.db2.gz CDPKZKYHNKYNKC-UHFFFAOYSA-N 2 0 236.359 1.133 20 0 BDADRP OCC[N@H+](CCc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000647885654 386279400 /nfs/dbraw/zinc/27/94/00/386279400.db2.gz BFATYGFNZQECGS-OAHLLOKOSA-N 2 0 248.370 1.133 20 0 BDADRP CC(C)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000336682333 386339897 /nfs/dbraw/zinc/33/98/97/386339897.db2.gz RLZOICJJEIBYAG-UHFFFAOYSA-N 2 0 227.396 1.353 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CCC[C@H]([NH+](C)C)CC1 ZINC000414747868 386356267 /nfs/dbraw/zinc/35/62/67/386356267.db2.gz VDLCWQIEYRXJGO-KGLIPLIRSA-N 2 0 241.423 1.776 20 0 BDADRP CC(C)[C@H](O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000336695352 386374887 /nfs/dbraw/zinc/37/48/87/386374887.db2.gz IPMNEQDFSHCNHH-CQSZACIVSA-N 2 0 242.407 1.667 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CCCC[NH+](C)C)[C@H](C)C1 ZINC000347383630 386375554 /nfs/dbraw/zinc/37/55/54/386375554.db2.gz YMWFZWBWTIOUBQ-KGLIPLIRSA-N 3 0 241.423 1.648 20 0 BDADRP C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000133949156 386382747 /nfs/dbraw/zinc/38/27/47/386382747.db2.gz ORMBNPHRGQLUEQ-GHMZBOCLSA-N 2 0 249.358 1.670 20 0 BDADRP C[C@H](C[NH2+][C@@H](C)CC[NH3+])CC1CCOCC1 ZINC000414902983 386334958 /nfs/dbraw/zinc/33/49/58/386334958.db2.gz ZCPFBVKFSNVCKN-RYUDHWBXSA-N 2 0 228.380 1.766 20 0 BDADRP Cc1ccncc1C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414903320 386337060 /nfs/dbraw/zinc/33/70/60/386337060.db2.gz IFUWXSHKMISGPZ-AWEZNQCLSA-N 2 0 233.359 1.869 20 0 BDADRP CC(C)[NH+](CCNC(=O)[C@@H](C)[C@@H](C)[NH3+])C(C)C ZINC000133627749 386338576 /nfs/dbraw/zinc/33/85/76/386338576.db2.gz VIFNAYNYZNKFMB-NWDGAFQWSA-N 2 0 243.395 1.205 20 0 BDADRP COC[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000336719036 386448429 /nfs/dbraw/zinc/44/84/29/386448429.db2.gz RMLZVAQEVXRVLG-TZMCWYRMSA-N 2 0 240.391 1.685 20 0 BDADRP CC(C)C[C@@H]1OCCC[C@H]1[NH2+]C[C@H]1CC[NH2+]C1 ZINC000647992259 386451006 /nfs/dbraw/zinc/45/10/06/386451006.db2.gz YDSSBHHKPOZCPP-MJBXVCDLSA-N 2 0 240.391 1.779 20 0 BDADRP COC[C@@H]1CCCC[N@H+](CCC[NH3+])C1 ZINC000414754052 386392101 /nfs/dbraw/zinc/39/21/01/386392101.db2.gz FOGTYWQLMTZVAD-LLVKDONJSA-N 2 0 200.326 1.084 20 0 BDADRP COC[C@H]1CCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000647891510 386394302 /nfs/dbraw/zinc/39/43/02/386394302.db2.gz KWWFUNDXIYMVKH-CQSZACIVSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@@H]1CC2(C[N@@H+]1CCn1cccn1)CC[NH2+]CC2 ZINC000335279662 386394662 /nfs/dbraw/zinc/39/46/62/386394662.db2.gz JMIOCHPKYOLJHP-CYBMUJFWSA-N 2 0 248.374 1.347 20 0 BDADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@H]1CCCO1 ZINC000336732711 386403273 /nfs/dbraw/zinc/40/32/73/386403273.db2.gz FZYTUWRPYOMIOV-DGCLKSJQSA-N 2 0 224.348 1.405 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCCc1nccs1 ZINC000391121251 386410543 /nfs/dbraw/zinc/41/05/43/386410543.db2.gz BJCOWZQQWNUUOV-GHMZBOCLSA-N 2 0 239.388 1.793 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCC1CC(O)C1 ZINC000519381422 386420642 /nfs/dbraw/zinc/42/06/42/386420642.db2.gz GKMPSPZOCOLBSE-FIYWTHMPSA-N 2 0 226.364 1.397 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)CCCC[NH3+])[C@@H](C)C1 ZINC000415009699 386424918 /nfs/dbraw/zinc/42/49/18/386424918.db2.gz FOJBMTNAHXYUJO-MJBXVCDLSA-N 3 0 241.423 1.824 20 0 BDADRP COc1cccc2c1CC[C@@H]([NH2+]CCCC[NH3+])C2 ZINC000414912892 386481010 /nfs/dbraw/zinc/48/10/10/386481010.db2.gz VEJBDAAQZPNWJH-CYBMUJFWSA-N 2 0 248.370 1.881 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)N1CCOCC12CCCC2 ZINC000334625484 386482104 /nfs/dbraw/zinc/48/21/04/386482104.db2.gz NBOHERXGHTWBHP-CYBMUJFWSA-N 2 0 238.375 1.631 20 0 BDADRP COc1cccc2c1CC[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])C2 ZINC000415011287 386488168 /nfs/dbraw/zinc/48/81/68/386488168.db2.gz HLQQOGSWCYKBFK-LOWVWBTDSA-N 2 0 248.370 1.878 20 0 BDADRP C[C@@H]([NH3+])[C@@H](C)[NH2+]C[C@@H](C)CC1CCOCC1 ZINC000415011815 386492163 /nfs/dbraw/zinc/49/21/63/386492163.db2.gz IGZYQLKXJOFOTO-QJPTWQEYSA-N 2 0 228.380 1.765 20 0 BDADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2cncc(F)c2)C1 ZINC000415013595 386495019 /nfs/dbraw/zinc/49/50/19/386495019.db2.gz YNAVYEWABIKXRW-MFKMUULPSA-N 2 0 237.322 1.828 20 0 BDADRP C[NH+](C)C1CCN(CCNc2ccccn2)CC1 ZINC000267146723 386499925 /nfs/dbraw/zinc/49/99/25/386499925.db2.gz BEHZWRMPOHUTQI-UHFFFAOYSA-N 2 0 248.374 1.520 20 0 BDADRP C[C@@H]([NH3+])[C@@H](C)NCc1ccc2c(c1)ncn2C ZINC000415016980 386502245 /nfs/dbraw/zinc/50/22/45/386502245.db2.gz OUIOXFHLSWZENS-NXEZZACHSA-N 2 0 232.331 1.399 20 0 BDADRP Cc1cccn2c(C[NH2+][C@H](C)CCC[NH3+])cnc12 ZINC000415018625 386502267 /nfs/dbraw/zinc/50/22/67/386502267.db2.gz HFQYKRXJJTVHHJ-GFCCVEGCSA-N 3 0 246.358 1.860 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cccc2c1NCC2 ZINC000415017151 386502562 /nfs/dbraw/zinc/50/25/62/386502562.db2.gz FCHFEWRMQYBNPN-NSHDSACASA-N 2 0 233.359 1.872 20 0 BDADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cccc3c[nH]nc32)C1 ZINC000415051834 386508663 /nfs/dbraw/zinc/50/86/63/386508663.db2.gz ZVAIBYOSWPAJOG-GXFFZTMASA-N 2 0 244.342 1.780 20 0 BDADRP C[C@H](CC[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1 ZINC000415042816 386530062 /nfs/dbraw/zinc/53/00/62/386530062.db2.gz SWBJRWJOIFHLFT-RZFFKMDDSA-N 2 0 230.355 1.988 20 0 BDADRP COc1c(O)cccc1C[NH2+][C@H](C)CCC[NH3+] ZINC000415025887 386513781 /nfs/dbraw/zinc/51/37/81/386513781.db2.gz RYIQMKGGEFOVAZ-SNVBAGLBSA-N 2 0 238.331 1.618 20 0 BDADRP Cc1c[nH]nc1CN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000335447202 386515125 /nfs/dbraw/zinc/51/51/25/386515125.db2.gz ABZQENZPWNNTMM-MNOVXSKESA-N 2 0 222.336 1.277 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000415028978 386516608 /nfs/dbraw/zinc/51/66/08/386516608.db2.gz ZPDQCTPPTRLNRS-UTUOFQBUSA-N 3 0 213.369 1.234 20 0 BDADRP CC(C)(N)C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000335448383 386517180 /nfs/dbraw/zinc/51/71/80/386517180.db2.gz PBHGRLNSBWUQQJ-NWDGAFQWSA-N 2 0 226.364 1.615 20 0 BDADRP Cc1ccncc1C[N@H+](C)CC1CC[NH2+]CC1 ZINC000135501847 386519315 /nfs/dbraw/zinc/51/93/15/386519315.db2.gz KZBNDMJJVTZQCZ-UHFFFAOYSA-N 2 0 233.359 1.821 20 0 BDADRP C[C@H]1CC([NH2+]C[C@H]2C[NH2+]CCCO2)C[C@H](C)C1 ZINC000415030244 386519931 /nfs/dbraw/zinc/51/99/31/386519931.db2.gz CICWIYZEFQEMRK-YRGRVCCFSA-N 2 0 240.391 1.779 20 0 BDADRP COc1ccc(C)cc1CN[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415033082 386521393 /nfs/dbraw/zinc/52/13/93/386521393.db2.gz IJMYEUNMCWFFII-IMRBUKKESA-N 2 0 232.327 1.311 20 0 BDADRP CCOc1cccc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)n1 ZINC000415033146 386521487 /nfs/dbraw/zinc/52/14/87/386521487.db2.gz IQFWMXFNALLKJA-NWDGAFQWSA-N 2 0 249.358 1.697 20 0 BDADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CCO ZINC000336780075 386522355 /nfs/dbraw/zinc/52/23/55/386522355.db2.gz QIUADXXNXZEOLU-CHWSQXEVSA-N 2 0 228.380 1.469 20 0 BDADRP C[C@@H]1OCC[C@]1(C)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000336780162 386523222 /nfs/dbraw/zinc/52/32/22/386523222.db2.gz QPSFPMYUBBIAGJ-AVGNSLFASA-N 2 0 226.364 1.628 20 0 BDADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cccs2)C1 ZINC000415038362 386523628 /nfs/dbraw/zinc/52/36/28/386523628.db2.gz NGWYSHLWUIHZDR-ZJUUUORDSA-N 2 0 210.346 1.965 20 0 BDADRP CC[N@H+](C)C[C@H]1CCN(c2ccccn2)C1 ZINC000267294157 386524021 /nfs/dbraw/zinc/52/40/21/386524021.db2.gz YSOVNQWCRMSDAD-GFCCVEGCSA-N 2 0 219.332 1.860 20 0 BDADRP Cc1ccnc(CN(C)CCCn2ccnc2)n1 ZINC000336724371 386456452 /nfs/dbraw/zinc/45/64/52/386456452.db2.gz ZZASVTPZAKPRAJ-UHFFFAOYSA-N 2 0 245.330 1.504 20 0 BDADRP CN(CCCn1ccnc1)Cc1cocn1 ZINC000290627224 386461948 /nfs/dbraw/zinc/46/19/48/386461948.db2.gz XSIDYMGFVQYANN-UHFFFAOYSA-N 2 0 220.276 1.393 20 0 BDADRP C[C@H](N)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977596 386578144 /nfs/dbraw/zinc/57/81/44/386578144.db2.gz DXFXCNBRHWBVCH-YNEHKIRRSA-N 2 0 225.380 1.045 20 0 BDADRP COCCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978049 386578519 /nfs/dbraw/zinc/57/85/19/386578519.db2.gz LPLCNSTZSUGYPR-ZIAGYGMSSA-N 2 0 240.391 1.735 20 0 BDADRP CCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000343245316 386581765 /nfs/dbraw/zinc/58/17/65/386581765.db2.gz BUSUUASGNMBQRS-XQQFMLRXSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000647905006 386583315 /nfs/dbraw/zinc/58/33/15/386583315.db2.gz DBJUDPFTICWRPT-GXTWGEPZSA-N 3 0 239.407 1.435 20 0 BDADRP NC(=O)c1ccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000414798283 386584105 /nfs/dbraw/zinc/58/41/05/386584105.db2.gz QBTFJVIPLGVTBW-OLZOCXBDSA-N 2 0 247.342 1.003 20 0 BDADRP C[C@]1(C[NH2+]CCc2cccs2)CC[NH2+]C1 ZINC000415078146 386587413 /nfs/dbraw/zinc/58/74/13/386587413.db2.gz FPXZKRFHHPYECM-GFCCVEGCSA-N 2 0 224.373 1.880 20 0 BDADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C[C@H]1C[C@H]1C ZINC000336781538 386590410 /nfs/dbraw/zinc/59/04/10/386590410.db2.gz UWTBKVMNMJXCDJ-JHJVBQTASA-N 2 0 228.380 1.589 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@H](C)C[C@H]1CCC[NH2+]1 ZINC000414788576 386533785 /nfs/dbraw/zinc/53/37/85/386533785.db2.gz DNSWQBODEBUUTO-IJLUTSLNSA-N 2 0 213.369 1.090 20 0 BDADRP Cc1cnc(CN[C@H](C[NH3+])C(C)(C)C)cn1 ZINC000415056510 386536878 /nfs/dbraw/zinc/53/68/78/386536878.db2.gz QUTXCPWXEBOZLE-LLVKDONJSA-N 2 0 222.336 1.248 20 0 BDADRP C[N@H+](CC1CC[NH+](C)CC1)C[C@]1(C)CC[NH2+]C1 ZINC000063125164 386538889 /nfs/dbraw/zinc/53/88/89/386538889.db2.gz ADQXGNAIRKOYFD-CQSZACIVSA-N 3 0 239.407 1.260 20 0 BDADRP CC(C)[C@H]([NH3+])CNC1CC[NH+](C(C)C)CC1 ZINC000414789627 386540117 /nfs/dbraw/zinc/54/01/17/386540117.db2.gz FNWKTIUMXAXETD-CYBMUJFWSA-N 2 0 227.396 1.432 20 0 BDADRP C[N@H+](CCCC1CCCCC1)C[C@H](O)C[NH3+] ZINC000415063533 386545253 /nfs/dbraw/zinc/54/52/53/386545253.db2.gz AAMSISMLHMKEFM-CYBMUJFWSA-N 2 0 228.380 1.598 20 0 BDADRP CC(C)(O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063200391 386546852 /nfs/dbraw/zinc/54/68/52/386546852.db2.gz XNODCYXCHVRORD-GFCCVEGCSA-N 2 0 226.364 1.221 20 0 BDADRP CC[N@@H+]1CC[C@H](NCCC[NH2+]C2CC2)[C@@H](C)C1 ZINC000415069194 386550318 /nfs/dbraw/zinc/55/03/18/386550318.db2.gz OHZICJQSATYZJC-JSGCOSHPSA-N 2 0 239.407 1.448 20 0 BDADRP CC[C@@H]1C[N@H+](CCCCCOC)CC[C@@H]1[NH3+] ZINC000647936817 386558237 /nfs/dbraw/zinc/55/82/37/386558237.db2.gz LUBLWSUXTWUTMC-OLZOCXBDSA-N 2 0 228.380 1.862 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CN(C)CCN1C)C1CCC1 ZINC000336756277 386561890 /nfs/dbraw/zinc/56/18/90/386561890.db2.gz YLHOZCWLCJYTJW-YPMHNXCESA-N 2 0 225.380 1.010 20 0 BDADRP C[C@@H]1CCCC[C@H]1C[N@H+](C)C[C@H](O)C[NH3+] ZINC000415072053 386563674 /nfs/dbraw/zinc/56/36/74/386563674.db2.gz VFXHSUYHKDJVSS-GRYCIOLGSA-N 2 0 214.353 1.064 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CN[C@@H]1CCC[NH2+]C1 ZINC000415074622 386566224 /nfs/dbraw/zinc/56/62/24/386566224.db2.gz DAOICYHHHPPGAF-CHWSQXEVSA-N 2 0 225.380 1.202 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCCC[C@H]2CC[NH3+])CC[NH2+]1 ZINC000414794988 386569268 /nfs/dbraw/zinc/56/92/68/386569268.db2.gz UMRXENSFHNMGSD-MCIONIFRSA-N 3 0 239.407 1.578 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CNCC(C)(C)[NH3+] ZINC000415075422 386569510 /nfs/dbraw/zinc/56/95/10/386569510.db2.gz FGZHTTJDSLZFKJ-LLVKDONJSA-N 2 0 213.369 1.188 20 0 BDADRP c1ccc([C@@H]2C[NH2+]C[C@H]2NC2CC[NH2+]CC2)cc1 ZINC000335497718 386622514 /nfs/dbraw/zinc/62/25/14/386622514.db2.gz YAPHVFJYIZFVBM-LSDHHAIUSA-N 2 0 245.370 1.084 20 0 BDADRP CC[N@@H+]1CC[C@H](NCC([NH3+])(CC)CC)[C@H](C)C1 ZINC000414808908 386623423 /nfs/dbraw/zinc/62/34/23/386623423.db2.gz LJRWINHYWPHTCZ-OLZOCXBDSA-N 2 0 241.423 1.824 20 0 BDADRP CC(C)([NH3+])CN(CCC[NH3+])c1cccc(F)c1 ZINC000415114302 386626901 /nfs/dbraw/zinc/62/69/01/386626901.db2.gz FTPZTQZPXJNILH-UHFFFAOYSA-N 2 0 239.338 1.718 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)CC[NH2+]1 ZINC000415126026 386628159 /nfs/dbraw/zinc/62/81/59/386628159.db2.gz LWDNJXXLLUKTKI-AAVRWANBSA-N 3 0 239.407 1.291 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC2CCC1CC2)C1C[NH2+]C1 ZINC000335501372 386629706 /nfs/dbraw/zinc/62/97/06/386629706.db2.gz SDFUNDPTNMOICP-PGHLRGPGSA-N 2 0 208.349 1.763 20 0 BDADRP C(C[NH2+]C1CCCCCC1)N[C@H]1CCC[NH2+]C1 ZINC000414817107 386653920 /nfs/dbraw/zinc/65/39/20/386653920.db2.gz ZFDQEOFNFPZWDD-AWEZNQCLSA-N 2 0 239.407 1.640 20 0 BDADRP CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000415082373 386599634 /nfs/dbraw/zinc/59/96/34/386599634.db2.gz OGBYMPZNOKXDQX-FRRDWIJNSA-N 2 0 226.364 1.676 20 0 BDADRP COC1CCC([NH2+][C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000414803259 386600756 /nfs/dbraw/zinc/60/07/56/386600756.db2.gz NLCXHUVRXKGLRB-IKWCTNDRSA-N 2 0 226.364 1.661 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)[C@@H]1CCCO1 ZINC000415088204 386607347 /nfs/dbraw/zinc/60/73/47/386607347.db2.gz UYFCAHAUMCBDIG-LOWDOPEQSA-N 2 0 226.364 1.532 20 0 BDADRP COC(=O)C(C)(C)C[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415098929 386616078 /nfs/dbraw/zinc/61/60/78/386616078.db2.gz GDJNEPJZPBFXDQ-QWRGUYRKSA-N 2 0 242.363 1.163 20 0 BDADRP Cc1ccc(C[C@H](CO)[NH2+]CC(C)(C)[NH3+])cc1 ZINC000415106804 386617379 /nfs/dbraw/zinc/61/73/79/386617379.db2.gz ODSQWDWMASKCHW-CYBMUJFWSA-N 2 0 236.359 1.225 20 0 BDADRP COC(=O)C1(C[NH2+][C@@H](C)C[C@@H]2CCC[NH2+]2)CC1 ZINC000415108899 386617424 /nfs/dbraw/zinc/61/74/24/386617424.db2.gz QVMYYOFKQKJCCW-QWRGUYRKSA-N 2 0 240.347 1.060 20 0 BDADRP C[NH2+]CCN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000414819481 386662199 /nfs/dbraw/zinc/66/21/99/386662199.db2.gz AFJIIQVZOIUHQZ-VXGBXAGGSA-N 2 0 213.369 1.106 20 0 BDADRP Cc1c[nH+]ccc1N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000366513273 386667906 /nfs/dbraw/zinc/66/79/06/386667906.db2.gz ZLUPLRNSXZDDQY-ZDUSSCGKSA-N 2 0 249.358 1.283 20 0 BDADRP CC[NH2+][C@H](C)CNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000520404782 386668776 /nfs/dbraw/zinc/66/87/76/386668776.db2.gz RSCMQJZXMMRAEU-SNVBAGLBSA-N 2 0 247.342 1.018 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H]1CCC[NH2+]1 ZINC000414820790 386675176 /nfs/dbraw/zinc/67/51/76/386675176.db2.gz BEDISVKBNQSVFP-HZSPNIEDSA-N 2 0 239.407 1.639 20 0 BDADRP Cc1noc([C@@H](C)[N@@H+]2CCC[C@H](CC[NH3+])C2)n1 ZINC000647951276 386658065 /nfs/dbraw/zinc/65/80/65/386658065.db2.gz UXZFFTDJGGDTMG-MWLCHTKSSA-N 2 0 238.335 1.500 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000357070919 386709904 /nfs/dbraw/zinc/70/99/04/386709904.db2.gz IZXXVLPPEZKWMW-OAHLLOKOSA-N 2 0 248.370 1.526 20 0 BDADRP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)[C@H]1CCC[NH2+]C1 ZINC000414825351 386690703 /nfs/dbraw/zinc/69/07/03/386690703.db2.gz SHIVCJFWSCPXNM-ZIHBUVQPSA-N 3 0 239.407 1.482 20 0 BDADRP C[N@H+](CCCF)CCC[NH+]1CCCC1 ZINC000337282023 386698432 /nfs/dbraw/zinc/69/84/32/386698432.db2.gz WXQDKBWGXKHPRJ-UHFFFAOYSA-N 2 0 202.317 1.764 20 0 BDADRP Cc1c[nH]nc1CNC1CC[NH+](C2CCC2)CC1 ZINC000352843120 386703797 /nfs/dbraw/zinc/70/37/97/386703797.db2.gz XQLXFHXHCWAWPA-UHFFFAOYSA-N 2 0 248.374 1.825 20 0 BDADRP N[C@@H](C[NH2+]CC[C@H]1CCOC1)c1ccccc1 ZINC000414830244 386705931 /nfs/dbraw/zinc/70/59/31/386705931.db2.gz LUZBYYWXIMMFEG-JSGCOSHPSA-N 2 0 234.343 1.703 20 0 BDADRP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CCOCC[NH3+] ZINC000357068166 386706280 /nfs/dbraw/zinc/70/62/80/386706280.db2.gz DKMIEJZDGVGLDH-FRRDWIJNSA-N 2 0 226.364 1.615 20 0 BDADRP CC(C)OCC(C)(C)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000396411904 386738130 /nfs/dbraw/zinc/73/81/30/386738130.db2.gz GWKHXMTZXMJICN-LBPRGKRZSA-N 2 0 228.380 1.779 20 0 BDADRP Cc1ccc(CCCN2C[C@H]([NH3+])[C@@H](C)C2)cn1 ZINC000340690323 386713251 /nfs/dbraw/zinc/71/32/51/386713251.db2.gz KZVFFXKSFQVWME-FZMZJTMJSA-N 2 0 233.359 1.602 20 0 BDADRP CN(CCC[NH2+]CC1(C)CC1)CC[NH+](C)C ZINC000623087939 386722588 /nfs/dbraw/zinc/72/25/88/386722588.db2.gz PNEQPKLMBIFIJQ-UHFFFAOYSA-N 2 0 227.396 1.260 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+]C[C@@H]1CCSC1 ZINC000414835684 386727187 /nfs/dbraw/zinc/72/71/87/386727187.db2.gz HMNQCGQZAZGBBP-UWVGGRQHSA-N 2 0 202.367 1.185 20 0 BDADRP Cn1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])cc1=O ZINC000647964946 386747733 /nfs/dbraw/zinc/74/77/33/386747733.db2.gz QOEIGAUKYYASED-CYBMUJFWSA-N 2 0 249.358 1.089 20 0 BDADRP CC[N@@H+]1CC[C@H](NC[C@@H](C)C[NH+](C)C)[C@H](C)C1 ZINC000425940118 386753374 /nfs/dbraw/zinc/75/33/74/386753374.db2.gz VXJPTDPYBVOKSK-MCIONIFRSA-N 2 0 241.423 1.504 20 0 BDADRP CC[NH+]1CCC(CC[NH2+]Cc2cocn2)CC1 ZINC000192318855 386761746 /nfs/dbraw/zinc/76/17/46/386761746.db2.gz DFLHXMHEBXLOSA-UHFFFAOYSA-N 2 0 237.347 1.886 20 0 BDADRP CC(C)(C)[NH2+]CCN[C@@H](C[NH3+])C1CCCCC1 ZINC000414838983 386742106 /nfs/dbraw/zinc/74/21/06/386742106.db2.gz LEZAHNSSQZSEPI-ZDUSSCGKSA-N 2 0 241.423 1.872 20 0 BDADRP CCC[NH2+][C@@H](C)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000417826614 386784282 /nfs/dbraw/zinc/78/42/82/386784282.db2.gz DPQWJBISOUKEHO-CMPLNLGQSA-N 2 0 241.379 1.008 20 0 BDADRP CCC[NH2+][C@H](C)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417826616 386784777 /nfs/dbraw/zinc/78/47/77/386784777.db2.gz DPQWJBISOUKEHO-PWSUYJOCSA-N 2 0 241.379 1.008 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417840792 386799111 /nfs/dbraw/zinc/79/91/11/386799111.db2.gz SKOUQSUKNFCPMH-AAEUAGOBSA-N 2 0 241.379 1.138 20 0 BDADRP CC(C)C[C@@H](C[NH2+][C@@H](C)CCC[NH3+])N(C)C ZINC000336670244 386801800 /nfs/dbraw/zinc/80/18/00/386801800.db2.gz RQTRKBBSZVWRTF-STQMWFEESA-N 2 0 229.412 1.680 20 0 BDADRP C[C@H](CCCC[NH3+])NC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000417858236 386805543 /nfs/dbraw/zinc/80/55/43/386805543.db2.gz UWAKKMFHLQMCNF-IJLUTSLNSA-N 2 0 241.379 1.008 20 0 BDADRP Cc1cnc(C[NH2+]CC2CC[NH+](C)CC2)n1C ZINC000341000573 386813528 /nfs/dbraw/zinc/81/35/28/386813528.db2.gz AAABPQHSMYGJIS-UHFFFAOYSA-N 2 0 236.363 1.160 20 0 BDADRP C[C@@H]([NH2+]Cc1cccc(O)c1)[C@H]1CCC[NH2+]C1 ZINC000414846262 386816047 /nfs/dbraw/zinc/81/60/47/386816047.db2.gz DVKMUFPTEFGCNN-YPMHNXCESA-N 2 0 234.343 1.870 20 0 BDADRP Cc1cnc(CNC[C@H]2CC[N@@H+](C3CC3)C2)n1C ZINC000341091324 386838155 /nfs/dbraw/zinc/83/81/55/386838155.db2.gz KYJSYAFLHJPQNL-GFCCVEGCSA-N 2 0 248.374 1.302 20 0 BDADRP Cc1cnc(CN[C@H]2C[N@H+](C3CC3)C[C@H]2C)n1C ZINC000341256360 386867758 /nfs/dbraw/zinc/86/77/58/386867758.db2.gz HKRSSATUZAIADV-MFKMUULPSA-N 2 0 248.374 1.301 20 0 BDADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000331604048 386875092 /nfs/dbraw/zinc/87/50/92/386875092.db2.gz OJRNEHATODVNRW-PKIAMQTDSA-N 3 0 245.370 1.848 20 0 BDADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000331604038 386875113 /nfs/dbraw/zinc/87/51/13/386875113.db2.gz OJRNEHATODVNRW-BAESOJJISA-N 3 0 245.370 1.848 20 0 BDADRP CC(C)OCCC[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443055688 386913513 /nfs/dbraw/zinc/91/35/13/386913513.db2.gz BHSSTHAEJYYWRN-CYBMUJFWSA-N 2 0 228.380 1.862 20 0 BDADRP CC1(C[NH2+][C@H]2CCCSC2)CC[NH2+]CC1 ZINC000334861915 386915954 /nfs/dbraw/zinc/91/59/54/386915954.db2.gz FZAAPZJQDPIULC-NSHDSACASA-N 2 0 228.405 1.861 20 0 BDADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000334853572 386903959 /nfs/dbraw/zinc/90/39/59/386903959.db2.gz DTBQVMNIYBOVLG-GWCFXTLKSA-N 2 0 244.342 1.651 20 0 BDADRP C[C@H]1C[C@H]([NH2+]Cc2cccs2)CC[NH2+]1 ZINC000334865351 386922180 /nfs/dbraw/zinc/92/21/80/386922180.db2.gz STOZXRAPMPTEPT-VHSXEESVSA-N 2 0 210.346 1.978 20 0 BDADRP C(C1CC1)[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000334867937 386925626 /nfs/dbraw/zinc/92/56/26/386925626.db2.gz GCUOVKSPYUMVSQ-STQMWFEESA-N 2 0 208.349 1.860 20 0 BDADRP C[C@]1(CN[C@@H]2CCC[NH2+]CC2)CCC[NH2+]C1 ZINC000334873137 386935589 /nfs/dbraw/zinc/93/55/89/386935589.db2.gz HIOFYIXMNPSIGO-OLZOCXBDSA-N 2 0 225.380 1.108 20 0 BDADRP C[C@@H]([NH2+]C1CCSCC1)[C@@H]1CCC[NH2+]C1 ZINC000334875064 386937114 /nfs/dbraw/zinc/93/71/14/386937114.db2.gz RFHLISLQESGGFQ-GHMZBOCLSA-N 2 0 228.405 1.860 20 0 BDADRP CCC(O)(CC)C[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000352905685 386956354 /nfs/dbraw/zinc/95/63/54/386956354.db2.gz UPTYIANJNBBDJQ-YPMHNXCESA-N 2 0 240.391 1.610 20 0 BDADRP CS[C@@H]1CC[C@H]1[NH2+]CCCC[NH+](C)C ZINC000425357055 386968234 /nfs/dbraw/zinc/96/82/34/386968234.db2.gz PYGIBIRHUNDGNP-GHMZBOCLSA-N 2 0 216.394 1.812 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000332583630 386992428 /nfs/dbraw/zinc/99/24/28/386992428.db2.gz KCWBFXZBLHOQJB-UHTWSYAYSA-N 2 0 248.374 1.374 20 0 BDADRP CC(C)(C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])C(N)=O ZINC000332058569 386951980 /nfs/dbraw/zinc/95/19/80/386951980.db2.gz XYWBJVYADPOVPA-VHSXEESVSA-N 2 0 227.352 1.797 20 0 BDADRP [NH3+]CCN1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000334966824 387048100 /nfs/dbraw/zinc/04/81/00/387048100.db2.gz HCKJAHPTDYAEHX-SECBINFHSA-N 2 0 236.281 2.000 20 0 BDADRP Cc1nc(C[NH+]2CCC([C@H](C)[NH3+])CC2)oc1C ZINC000110650555 387067091 /nfs/dbraw/zinc/06/70/91/387067091.db2.gz DDHMXPLIFBHALB-VIFPVBQESA-N 2 0 237.347 1.851 20 0 BDADRP Cc1cc(N(C)C[C@H]2CCC[N@@H+]2C)cc[nH+]1 ZINC000334970267 387054452 /nfs/dbraw/zinc/05/44/52/387054452.db2.gz SZNHNPLJAFTFCO-CYBMUJFWSA-N 2 0 219.332 1.920 20 0 BDADRP C[C@]1(F)CNCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000334971547 387056107 /nfs/dbraw/zinc/05/61/07/387056107.db2.gz IWFXAUMUCXVTFP-ZDUSSCGKSA-N 2 0 243.370 1.010 20 0 BDADRP [NH3+]CCN1CC[C@H](n2ncc3ccccc32)C1 ZINC000334971594 387057004 /nfs/dbraw/zinc/05/70/04/387057004.db2.gz ZIOFMWQSQNZURW-LBPRGKRZSA-N 2 0 230.315 1.242 20 0 BDADRP CCC[N@H+](CC)CCNC(=O)[C@H](C[NH3+])C(C)C ZINC000228005821 387060216 /nfs/dbraw/zinc/06/02/16/387060216.db2.gz RJKVOZAPLVWICN-GFCCVEGCSA-N 2 0 243.395 1.065 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]CCC[C@@H](C)O)CC1 ZINC000228039665 387061359 /nfs/dbraw/zinc/06/13/59/387061359.db2.gz ZDUBFTWCIKFROF-GFCCVEGCSA-N 2 0 228.380 1.610 20 0 BDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NCC1([NH3+])CCC1 ZINC000333186114 387021348 /nfs/dbraw/zinc/02/13/48/387021348.db2.gz SYERAVZPNPMIKD-CHWSQXEVSA-N 3 0 239.407 1.768 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)[C@@H]1CCCC[NH2+]1 ZINC000333241589 387023365 /nfs/dbraw/zinc/02/33/65/387023365.db2.gz DYVPCAXTRPDTFZ-KXNHARMFSA-N 2 0 239.363 1.811 20 0 BDADRP Cc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)on1 ZINC000334980889 387068670 /nfs/dbraw/zinc/06/86/70/387068670.db2.gz QCLYUTPIYHIILU-QWHCGFSZSA-N 2 0 249.358 1.805 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC3CCOCC3)C[C@H]21 ZINC000228474928 387089038 /nfs/dbraw/zinc/08/90/38/387089038.db2.gz YCCNZERKOYRNLI-BFHYXJOUSA-N 2 0 238.375 1.472 20 0 BDADRP CC[NH+](CC)CC(=O)NCC(C)(C)C[NH+](C)C ZINC000067997906 387097553 /nfs/dbraw/zinc/09/75/53/387097553.db2.gz ZHGSAXMFNHWSEY-UHFFFAOYSA-N 2 0 243.395 1.032 20 0 BDADRP Cc1cc(CC[NH2+][C@H]2C[C@H](C)N(C3CC3)C2)on1 ZINC000353080808 387103009 /nfs/dbraw/zinc/10/30/09/387103009.db2.gz CRNSKRPIVOJOQO-RYUDHWBXSA-N 2 0 249.358 1.740 20 0 BDADRP CC1(F)CC([NH2+][C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000335008449 387103313 /nfs/dbraw/zinc/10/33/13/387103313.db2.gz UMJFUBUPLFRMLM-UZEXVOJHSA-N 2 0 214.328 1.984 20 0 BDADRP C([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)C1C[NH2+]C1 ZINC000423301001 387131603 /nfs/dbraw/zinc/13/16/03/387131603.db2.gz GNHLAMLTRSZOFU-XQQFMLRXSA-N 2 0 236.359 1.143 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cccs2)C1 ZINC000160571909 387105747 /nfs/dbraw/zinc/10/57/47/387105747.db2.gz UIPRNJNAECUJFO-UWVGGRQHSA-N 2 0 210.346 1.917 20 0 BDADRP CN(C[C@@H](O)C[N@H+](C)[C@@H]1CC1(C)C)C1CC1 ZINC000352365141 387113647 /nfs/dbraw/zinc/11/36/47/387113647.db2.gz NOHDYTIHTFZISF-VXGBXAGGSA-N 2 0 226.364 1.172 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]CC2(O)CCC2)c2ccccc21 ZINC000127378663 387117041 /nfs/dbraw/zinc/11/70/41/387117041.db2.gz ADOUCQHLODLELW-STQMWFEESA-N 2 0 232.327 1.636 20 0 BDADRP C[C@@H]1[C@H]([NH2+]CC2C[NH2+]C2)C[C@@H]1c1ccccc1 ZINC000423305554 387142152 /nfs/dbraw/zinc/14/21/52/387142152.db2.gz RDNHVXJRWKJIRG-TUKIKUTGSA-N 2 0 230.355 1.988 20 0 BDADRP CCC[NH2+]CC[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000423307568 387143839 /nfs/dbraw/zinc/14/38/39/387143839.db2.gz HDDAYOFFVRJHJN-RYUDHWBXSA-N 2 0 214.353 1.391 20 0 BDADRP CCC[NH2+]CCN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000423308877 387144134 /nfs/dbraw/zinc/14/41/34/387144134.db2.gz KFHLORFQEULZTD-RYUDHWBXSA-N 2 0 213.369 1.058 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000423310251 387146024 /nfs/dbraw/zinc/14/60/24/387146024.db2.gz ROAQLYXUYJCQST-ZOBORPQBSA-N 2 0 240.391 1.766 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)C[NH3+])C12CCC2 ZINC000423309221 387146775 /nfs/dbraw/zinc/14/67/75/387146775.db2.gz PWGYTUMMMXUOCA-SDDRHHMPSA-N 2 0 226.364 1.519 20 0 BDADRP CCC[NH2+]CC[NH2+][C@@H](CC)[C@H]1CCOC1 ZINC000423312369 387148240 /nfs/dbraw/zinc/14/82/40/387148240.db2.gz RRHLXEUIAQMLKN-RYUDHWBXSA-N 2 0 214.353 1.391 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)C1CCSCC1 ZINC000423310920 387149436 /nfs/dbraw/zinc/14/94/36/387149436.db2.gz SPLZNCOGZIKXDQ-UWVGGRQHSA-N 2 0 216.394 1.703 20 0 BDADRP C[C@H](CC(N)=O)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000120022254 387150733 /nfs/dbraw/zinc/15/07/33/387150733.db2.gz MOHMDXLHPUYDPL-SECBINFHSA-N 2 0 241.379 1.149 20 0 BDADRP C([NH2+][C@H](C1CC1)C1CCCC1)C1C[NH2+]C1 ZINC000423313627 387152024 /nfs/dbraw/zinc/15/20/24/387152024.db2.gz FZBINRYSAUAOHO-ZDUSSCGKSA-N 2 0 208.349 1.764 20 0 BDADRP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CCCC[NH3+] ZINC000423315364 387153447 /nfs/dbraw/zinc/15/34/47/387153447.db2.gz ANLSEYNMQQMTPN-NWDGAFQWSA-N 2 0 228.380 1.909 20 0 BDADRP Cc1ccncc1[C@H](C)[NH2+]C[C@@H](C)C[NH3+] ZINC000423315244 387153594 /nfs/dbraw/zinc/15/35/94/387153594.db2.gz ZIINERSGNHFCLY-ONGXEEELSA-N 2 0 207.321 1.635 20 0 BDADRP CC1(C)[C@H]([NH2+]CC2([NH3+])CCC2)[C@H]2CCCO[C@@H]21 ZINC000423315954 387157274 /nfs/dbraw/zinc/15/72/74/387157274.db2.gz BHSHXVRINXLDOX-UTUOFQBUSA-N 2 0 238.375 1.661 20 0 BDADRP CCN1C[C@H]([NH2+]CC2(C)CC[NH2+]CC2)[C@@H](C)C1 ZINC000423318659 387158468 /nfs/dbraw/zinc/15/84/68/387158468.db2.gz CTZFCLCFXNKQRY-STQMWFEESA-N 3 0 239.407 1.306 20 0 BDADRP Cc1nccnc1[C@@H](C)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423327651 387170385 /nfs/dbraw/zinc/17/03/85/387170385.db2.gz LNRWIULXMGPSBF-GFCCVEGCSA-N 2 0 248.374 1.825 20 0 BDADRP C[C@]1(CN[C@H]2CCCC[C@@H]2C[NH3+])CCC[NH2+]C1 ZINC000423328393 387170974 /nfs/dbraw/zinc/17/09/74/387170974.db2.gz DNTNQJYBNABPAV-RDBSUJKOSA-N 2 0 239.407 1.483 20 0 BDADRP CO[C@@H]1C[C@@H]([NH2+]CCC[NH2+]C(C)C)C12CCC2 ZINC000571789128 387171982 /nfs/dbraw/zinc/17/19/82/387171982.db2.gz MXWVSLSONAFXRM-CHWSQXEVSA-N 2 0 240.391 1.922 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC2=CC[NH2+]CC2)[C@H](C)C1 ZINC000423330256 387176362 /nfs/dbraw/zinc/17/63/62/387176362.db2.gz BQUVRNYAAJQDMF-OCCSQVGLSA-N 3 0 237.391 1.226 20 0 BDADRP COC[C@@H]([NH2+]CC1([NH3+])CCC1)C1CCCC1 ZINC000423338328 387187525 /nfs/dbraw/zinc/18/75/25/387187525.db2.gz WBSGRYLIYSWEBZ-GFCCVEGCSA-N 2 0 226.364 1.663 20 0 BDADRP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423338326 387188708 /nfs/dbraw/zinc/18/87/08/387188708.db2.gz YUUFLJSGGQIOAO-CHWSQXEVSA-N 2 0 236.363 1.235 20 0 BDADRP CCCC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371301999 387188985 /nfs/dbraw/zinc/18/89/85/387188985.db2.gz XGVPZUJKJLHMQC-HZSPNIEDSA-N 2 0 240.391 1.970 20 0 BDADRP C[N@@H+]1CC[C@H](NCC2([NH3+])CCC2)[C@@H]2CCC[C@H]21 ZINC000423341202 387189388 /nfs/dbraw/zinc/18/93/88/387189388.db2.gz XUHMNGRVKFSCSH-RWMBFGLXSA-N 2 0 237.391 1.330 20 0 BDADRP CC(C)[C@H]1C[C@H]([NH2+]CC2=CC[NH2+]CC2)CCO1 ZINC000423341819 387190946 /nfs/dbraw/zinc/19/09/46/387190946.db2.gz KJMLIJVLQJDMPD-ZIAGYGMSSA-N 2 0 238.375 1.699 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+]CC2=CC[NH2+]CC2)C1(C)C ZINC000423341235 387191129 /nfs/dbraw/zinc/19/11/29/387191129.db2.gz KDJFGPFITWYYRF-OLZOCXBDSA-N 2 0 238.375 1.699 20 0 BDADRP Cc1cccc([C@H](C)[NH2+]CC2C[NH2+]C2)c1 ZINC000423301029 387133291 /nfs/dbraw/zinc/13/32/91/387133291.db2.gz GQTWAUYSEVFUPU-NSHDSACASA-N 2 0 204.317 1.865 20 0 BDADRP COc1ccc2c(c1)[C@H]([NH2+]CC1C[NH2+]C1)CCC2 ZINC000423300822 387133407 /nfs/dbraw/zinc/13/34/07/387133407.db2.gz FYXRJKSIHAOSOM-OAHLLOKOSA-N 2 0 246.354 1.882 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)CC(=O)Nc1ccccc1 ZINC000423301480 387134176 /nfs/dbraw/zinc/13/41/76/387134176.db2.gz TWGNDMZAFSYMDK-RYUDHWBXSA-N 2 0 249.358 1.588 20 0 BDADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC2C[NH2+]C2)cc1 ZINC000423302850 387135444 /nfs/dbraw/zinc/13/54/44/387135444.db2.gz KSVPUQPVRHJMTL-RYUDHWBXSA-N 2 0 248.370 1.996 20 0 BDADRP C[C@H](Cc1ccc(F)cc1)[NH2+]CC1C[NH2+]C1 ZINC000423303503 387136546 /nfs/dbraw/zinc/13/65/46/387136546.db2.gz LTPFZKGLXWUDKT-SNVBAGLBSA-N 2 0 222.307 1.566 20 0 BDADRP C[C@H](C[NH3+])CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423304115 387138243 /nfs/dbraw/zinc/13/82/43/387138243.db2.gz JXJYTCVCKOJLET-YIYPIFLZSA-N 2 0 239.407 1.482 20 0 BDADRP C[C@@H]1CCCC[C@H]1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000248464432 387138851 /nfs/dbraw/zinc/13/88/51/387138851.db2.gz RERNELKBBZFFHO-HZSPNIEDSA-N 2 0 242.407 1.715 20 0 BDADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000162021165 387140156 /nfs/dbraw/zinc/14/01/56/387140156.db2.gz IRQJLDCNCCIXDV-GHMZBOCLSA-N 2 0 243.395 1.192 20 0 BDADRP Cc1cncc([C@@H](C)[NH2+]C[C@H](C)C[NH3+])c1 ZINC000423305073 387140218 /nfs/dbraw/zinc/14/02/18/387140218.db2.gz KCABZZTZUMKFFR-GHMZBOCLSA-N 2 0 207.321 1.635 20 0 BDADRP CC[C@H]1C[C@@H](C[NH2+][C@H]2CC[NH2+]C2)CCO1 ZINC000571940656 387206782 /nfs/dbraw/zinc/20/67/82/387206782.db2.gz YIGZYLQZMDPUTK-SRVKXCTJSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)CCO1 ZINC000300415037 387207964 /nfs/dbraw/zinc/20/79/64/387207964.db2.gz RLKXJAFINOQZOV-DHGKCCLASA-N 2 0 240.391 1.872 20 0 BDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423424716 387252649 /nfs/dbraw/zinc/25/26/49/387252649.db2.gz NNUZUWOJNVLUGC-SYQHCUMBSA-N 2 0 239.407 1.291 20 0 BDADRP C[C@@H](N[C@H]1CC[NH2+]C[C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000423361761 387211973 /nfs/dbraw/zinc/21/19/73/387211973.db2.gz APCXISZEXJSPGI-NDBYEHHHSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1CCC[C@@H]([NH2+]CCOCC[NH+](C)C)[C@H]1C ZINC000300425002 387212576 /nfs/dbraw/zinc/21/25/76/387212576.db2.gz OXEHLQLLBOYZAB-HZSPNIEDSA-N 2 0 242.407 1.979 20 0 BDADRP C[C@@H](C[NH3+])N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000423362875 387215431 /nfs/dbraw/zinc/21/54/31/387215431.db2.gz ILEDWMWURYAKEZ-YDHLFZDLSA-N 2 0 247.386 1.586 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353533239 387223208 /nfs/dbraw/zinc/22/32/08/387223208.db2.gz XVVNQXDNVQUUJE-AAVRWANBSA-N 2 0 240.391 1.466 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)C(C)(C)[NH3+])c1 ZINC000572035838 387223584 /nfs/dbraw/zinc/22/35/84/387223584.db2.gz RUDQTQSSOFXZFR-UHFFFAOYSA-N 2 0 221.304 1.082 20 0 BDADRP C(CN1CC[N@@H+]2CCC[C@H]2C1)C1CC[NH2+]CC1 ZINC000094461257 387224293 /nfs/dbraw/zinc/22/42/93/387224293.db2.gz ZNMXEVCGPFSLSR-AWEZNQCLSA-N 2 0 237.391 1.156 20 0 BDADRP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423372270 387225647 /nfs/dbraw/zinc/22/56/47/387225647.db2.gz HBHFMPAJESDZPA-MVWJERBFSA-N 2 0 236.363 1.649 20 0 BDADRP C[C@@H](NC[C@@]1(C)CCC[NH2+]C1)c1c[nH+]ccc1N ZINC000423325359 387229931 /nfs/dbraw/zinc/22/99/31/387229931.db2.gz BTMKQXACYAWZCQ-RISCZKNCSA-N 2 0 248.374 1.534 20 0 BDADRP C[C@@H](C[NH3+])N[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423398917 387234731 /nfs/dbraw/zinc/23/47/31/387234731.db2.gz PEZLAROCORIAFY-UMSGYPCISA-N 2 0 225.380 1.234 20 0 BDADRP CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1cnn(C)c1 ZINC000423407129 387243379 /nfs/dbraw/zinc/24/33/79/387243379.db2.gz VJRFYXLWKVMGIG-WXHSDQCUSA-N 2 0 236.363 1.459 20 0 BDADRP COC[C@]1(C[NH2+][C@H](C)[C@H]2C[C@@H]2C)CCC[NH2+]1 ZINC000423409506 387245517 /nfs/dbraw/zinc/24/55/17/387245517.db2.gz BTIAYOVZBJUFKD-QNWHQSFQSA-N 2 0 226.364 1.389 20 0 BDADRP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1cccc(CO)c1 ZINC000423409320 387246466 /nfs/dbraw/zinc/24/64/66/387246466.db2.gz YRJHVPXGCYJAJV-XUJVJEKNSA-N 2 0 248.370 1.828 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CCC[NH2+]1 ZINC000423420664 387248834 /nfs/dbraw/zinc/24/88/34/387248834.db2.gz JMRBZCUKFVNRRT-SYQHCUMBSA-N 3 0 239.407 1.482 20 0 BDADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cn[nH]c1 ZINC000285192421 387249889 /nfs/dbraw/zinc/24/98/89/387249889.db2.gz NRVOWZMMKKORGN-JTQLQIEISA-N 2 0 220.320 1.322 20 0 BDADRP CC[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)[C@@H]1CCOC1 ZINC000423344849 387195217 /nfs/dbraw/zinc/19/52/17/387195217.db2.gz YJEOUFFQSKKICF-RDBSUJKOSA-N 2 0 240.391 1.781 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@H](COC)C1CCCC1 ZINC000423467757 387314371 /nfs/dbraw/zinc/31/43/71/387314371.db2.gz OBBMOHYGLCGLAO-NWDGAFQWSA-N 2 0 214.353 1.519 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423466479 387315124 /nfs/dbraw/zinc/31/51/24/387315124.db2.gz AQFAYUIYCSRLSW-UTUOFQBUSA-N 2 0 214.353 1.532 20 0 BDADRP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000423467570 387315450 /nfs/dbraw/zinc/31/54/50/387315450.db2.gz XTSZMUIPCUWLPO-DZDPUUJWSA-N 2 0 208.349 1.619 20 0 BDADRP C[C@@H]1CCNC[C@@H]1[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423466484 387315799 /nfs/dbraw/zinc/31/57/99/387315799.db2.gz AQGCKFVVEMJDQP-UPJWGTAASA-N 2 0 225.380 1.106 20 0 BDADRP CC1(C)CCC[NH2+][C@@H]1CN[C@H]1CCC[C@@H]1[NH3+] ZINC000423376520 387257752 /nfs/dbraw/zinc/25/77/52/387257752.db2.gz DTMKQEFNNYXEHD-SDDRHHMPSA-N 2 0 225.380 1.234 20 0 BDADRP CC[C@@H]([NH3+])C[NH2+][C@H](Cn1cccn1)C(C)C ZINC000423473129 387319302 /nfs/dbraw/zinc/31/93/02/387319302.db2.gz QNVWCNSQYAFAPX-VXGBXAGGSA-N 2 0 224.352 1.235 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C12CCC2 ZINC000423379479 387262290 /nfs/dbraw/zinc/26/22/90/387262290.db2.gz XSXGOUCRDMBCGN-MROQNXINSA-N 2 0 238.375 1.804 20 0 BDADRP CO[C@H](C)[C@H](C)NC[C@H]1[NH2+]CCCC1(C)C ZINC000423381198 387263314 /nfs/dbraw/zinc/26/33/14/387263314.db2.gz HUWISPHXPYPVFV-QJPTWQEYSA-N 2 0 228.380 1.778 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)[C@@H](C)O1 ZINC000423382198 387265017 /nfs/dbraw/zinc/26/50/17/387265017.db2.gz ODAITCZMSRPHLS-LZQZFOIKSA-N 2 0 212.337 1.282 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000423384096 387267829 /nfs/dbraw/zinc/26/78/29/387267829.db2.gz PXDQNEMRPWLHCE-IJLUTSLNSA-N 2 0 214.353 1.389 20 0 BDADRP [NH3+]CC[C@@H]1CCCCN1C[C@H]1CCC[NH2+]C1 ZINC000352504968 387267889 /nfs/dbraw/zinc/26/78/89/387267889.db2.gz WPNJFHDMDUBDMD-STQMWFEESA-N 2 0 225.380 1.189 20 0 BDADRP CC[NH2+][C@H](C)CN[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000423385213 387268296 /nfs/dbraw/zinc/26/82/96/387268296.db2.gz QQBNQVDZHPPKJD-UTUOFQBUSA-N 2 0 225.380 1.199 20 0 BDADRP CC[NH2+][C@H](C)CN[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000423383500 387268461 /nfs/dbraw/zinc/26/84/61/387268461.db2.gz PGPWBMCQLUOPAM-NQBHXWOUSA-N 2 0 225.380 1.057 20 0 BDADRP C[C@@H](CC1CCOCC1)[NH2+]CC1CC[NH2+]CC1 ZINC000643497628 387268629 /nfs/dbraw/zinc/26/86/29/387268629.db2.gz JKMSOLNGZPPBFI-LBPRGKRZSA-N 2 0 240.391 1.781 20 0 BDADRP [NH3+]CC[C@H]1CCCCN1C[C@@H]1CCC[NH2+]C1 ZINC000352504965 387268708 /nfs/dbraw/zinc/26/87/08/387268708.db2.gz WPNJFHDMDUBDMD-CHWSQXEVSA-N 2 0 225.380 1.189 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2[NH2+]CCCC2(C)C)CCO1 ZINC000423389123 387274017 /nfs/dbraw/zinc/27/40/17/387274017.db2.gz NIEFRMJOMOYQGK-AGIUHOORSA-N 2 0 240.391 1.922 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCC[NH2+][C@H]1C ZINC000423390692 387275524 /nfs/dbraw/zinc/27/55/24/387275524.db2.gz KEMNOLPVDIFXGG-DGTMBMJNSA-N 2 0 239.407 1.445 20 0 BDADRP CO[C@@H](C)[C@@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000360430815 387282009 /nfs/dbraw/zinc/28/20/09/387282009.db2.gz YMRRRQJTWVKSAK-NEPJUHHUSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000193144151 387282048 /nfs/dbraw/zinc/28/20/48/387282048.db2.gz ZBXQPPGVYJWPLM-DYEKYZERSA-N 2 0 242.407 1.713 20 0 BDADRP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000423395504 387282267 /nfs/dbraw/zinc/28/22/67/387282267.db2.gz SUEFPGNEIJFUCY-CHWSQXEVSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423431992 387284948 /nfs/dbraw/zinc/28/49/48/387284948.db2.gz MECGEOXRCYJBGP-FRRDWIJNSA-N 3 0 227.396 1.754 20 0 BDADRP CSCC1CCC([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000423436805 387285786 /nfs/dbraw/zinc/28/57/86/387285786.db2.gz SOJGNVWLSMYZQC-NGEZQELSSA-N 2 0 240.416 1.716 20 0 BDADRP C[N@H+]1CC=C(C[NH2+]Cc2cncc(F)c2)CC1 ZINC000392794068 387290186 /nfs/dbraw/zinc/29/01/86/387290186.db2.gz NZOVIEPVRKJKDT-UHFFFAOYSA-N 2 0 235.306 1.572 20 0 BDADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)C1CCSCC1 ZINC000423445644 387294734 /nfs/dbraw/zinc/29/47/34/387294734.db2.gz MXVGTNCFNIGFEX-GUBZILKMSA-N 2 0 216.394 1.843 20 0 BDADRP Cc1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)no1 ZINC000459790985 387297497 /nfs/dbraw/zinc/29/74/97/387297497.db2.gz RIFBNAAQFFGNPN-LBPRGKRZSA-N 2 0 237.347 1.805 20 0 BDADRP CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H](C)CCC[NH3+] ZINC000423449183 387298355 /nfs/dbraw/zinc/29/83/55/387298355.db2.gz FYXRYCKSBPYXEC-RYUDHWBXSA-N 2 0 243.395 1.350 20 0 BDADRP C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2)C1C[NH2+]C1 ZINC000423452678 387298738 /nfs/dbraw/zinc/29/87/38/387298738.db2.gz WOEJJKFMRFFKAU-NSHDSACASA-N 2 0 245.370 1.742 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000423455589 387304745 /nfs/dbraw/zinc/30/47/45/387304745.db2.gz MQTIUKDALPWDGA-RQJABVFESA-N 3 0 239.407 1.576 20 0 BDADRP C[C@@H](CCC[NH3+])NC(=O)c1ccccc1CC[NH3+] ZINC000514868984 387305251 /nfs/dbraw/zinc/30/52/51/387305251.db2.gz FRKDVPMRCJTYJX-NSHDSACASA-N 2 0 249.358 1.045 20 0 BDADRP CC[C@H]([NH3+])CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000423458351 387306214 /nfs/dbraw/zinc/30/62/14/387306214.db2.gz GSNUNOHRVSAPDS-LOWDOPEQSA-N 2 0 225.380 1.186 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000160579699 387308849 /nfs/dbraw/zinc/30/88/49/387308849.db2.gz UNGGKDNKPBTEKU-KOLCDFICSA-N 2 0 210.346 1.917 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423532391 387358416 /nfs/dbraw/zinc/35/84/16/387358416.db2.gz RABBWWONNLPVNR-PAPYEOQZSA-N 2 0 247.386 1.457 20 0 BDADRP CC[C@H]([NH2+]CCCC[NH+](C)C)c1cnn(C)c1 ZINC000360853674 387358645 /nfs/dbraw/zinc/35/86/45/387358645.db2.gz BOILMBUUUWIEEX-ZDUSSCGKSA-N 2 0 238.379 1.803 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@H]1CCCC[NH2+]1 ZINC000643502849 387362665 /nfs/dbraw/zinc/36/26/65/387362665.db2.gz STQDCUOQLIZXRO-YNEHKIRRSA-N 2 0 225.380 1.236 20 0 BDADRP C[C@@H](Cn1cccn1)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423538232 387364028 /nfs/dbraw/zinc/36/40/28/387364028.db2.gz MHLAVIHMZMHPNF-LBPRGKRZSA-N 2 0 234.347 1.171 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCCCN1 ZINC000643502353 387364429 /nfs/dbraw/zinc/36/44/29/387364429.db2.gz DHXJOVUFVZAICR-NEPJUHHUSA-N 2 0 213.369 1.236 20 0 BDADRP CC[C@H](NC[C@@H]1CCCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000643502480 387366560 /nfs/dbraw/zinc/36/65/60/387366560.db2.gz HREGYNRFXBPKKF-AVGNSLFASA-N 2 0 225.380 1.249 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H]1CCCC[NH2+]1 ZINC000643502456 387366623 /nfs/dbraw/zinc/36/66/23/387366623.db2.gz GXTPAYJYLUEDLD-FRRDWIJNSA-N 2 0 225.380 1.106 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@](C)(O)CC1 ZINC000373430793 387367287 /nfs/dbraw/zinc/36/72/87/387367287.db2.gz ILYKGJVBOSRWDI-AWEZNQCLSA-N 2 0 242.407 1.955 20 0 BDADRP CC[N@H+]1C[C@H](N[C@@H]2CCCC[NH2+]C2)[C@@H](C)C1 ZINC000423542910 387367333 /nfs/dbraw/zinc/36/73/33/387367333.db2.gz BKUZAMIDBJSDFE-XQQFMLRXSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@@H]1C[C@@H](NC[C@H]2CCCC[NH2+]2)c2nccn21 ZINC000643503032 387367863 /nfs/dbraw/zinc/36/78/63/387367863.db2.gz ZHZFBWSOTJZAGX-IJLUTSLNSA-N 2 0 234.347 1.621 20 0 BDADRP COC[C@H](CC(C)C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423545626 387368389 /nfs/dbraw/zinc/36/83/89/387368389.db2.gz YDPDPJJHVAGJIG-AWEZNQCLSA-N 2 0 240.391 1.947 20 0 BDADRP C1=C(CC[NH2+]C2CCSCC2)CC[NH2+]C1 ZINC000423543790 387369102 /nfs/dbraw/zinc/36/91/02/387369102.db2.gz CCQBIBOKMKBLOO-UHFFFAOYSA-N 2 0 226.389 1.781 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000423545684 387369643 /nfs/dbraw/zinc/36/96/43/387369643.db2.gz JWOHOCNZLLZDIM-MRTXSQPYSA-N 3 0 237.391 1.105 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC[NH2+]C2)CCO1 ZINC000423554183 387372190 /nfs/dbraw/zinc/37/21/90/387372190.db2.gz LHVCTVROANZZRO-WOPDTQHZSA-N 2 0 212.337 1.286 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)CCO1 ZINC000423558959 387375248 /nfs/dbraw/zinc/37/52/48/387375248.db2.gz SRLQHKVISLVIHH-XQHKEYJVSA-N 2 0 226.364 1.674 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CC2=CC[NH2+]CC2)c2ccccc21 ZINC000572392502 387380527 /nfs/dbraw/zinc/38/05/27/387380527.db2.gz UNFYBORIWVNHJB-CABCVRRESA-N 2 0 243.354 1.641 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]CC2=CC[NH2+]CC2)c2ccccc21 ZINC000572392505 387381446 /nfs/dbraw/zinc/38/14/46/387381446.db2.gz UNFYBORIWVNHJB-LSDHHAIUSA-N 2 0 243.354 1.641 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000643462773 387320789 /nfs/dbraw/zinc/32/07/89/387320789.db2.gz LBHJWBZPUBIVIB-GVXVVHGQSA-N 2 0 225.380 1.186 20 0 BDADRP C[C@H](N[C@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000643462910 387321223 /nfs/dbraw/zinc/32/12/23/387321223.db2.gz YFGKGOTXMRPPDA-UBHSHLNASA-N 2 0 237.391 1.201 20 0 BDADRP COC[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)C(C)C ZINC000423476256 387321285 /nfs/dbraw/zinc/32/12/85/387321285.db2.gz RAKPGBJXUUEKJW-AGIUHOORSA-N 2 0 228.380 1.765 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000643462871 387321419 /nfs/dbraw/zinc/32/14/19/387321419.db2.gz PXONHHBTUQVDBE-BNOWGMLFSA-N 2 0 237.391 1.058 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423475182 387322205 /nfs/dbraw/zinc/32/22/05/387322205.db2.gz RSMAMGGZIVFPCY-UMSGYPCISA-N 2 0 238.375 1.661 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000643462874 387322142 /nfs/dbraw/zinc/32/21/42/387322142.db2.gz PXONHHBTUQVDBE-XBFCOCLRSA-N 2 0 237.391 1.058 20 0 BDADRP CCN1C[C@H](C)[C@H]([NH2+]CCC[C@H]2CCC[NH2+]2)C1 ZINC000423476712 387324049 /nfs/dbraw/zinc/32/40/49/387324049.db2.gz JJCXWPLVMYVPHU-BFHYXJOUSA-N 2 0 239.407 1.448 20 0 BDADRP CCN1C[C@H](C)[C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)C1 ZINC000423476714 387324353 /nfs/dbraw/zinc/32/43/53/387324353.db2.gz JJCXWPLVMYVPHU-MELADBBJSA-N 2 0 239.407 1.448 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000643462673 387326208 /nfs/dbraw/zinc/32/62/08/387326208.db2.gz CRQYTDWASGZAAP-IHRRRGAJSA-N 2 0 237.391 1.188 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC[C@H]2C)C1 ZINC000354148597 387336346 /nfs/dbraw/zinc/33/63/46/387336346.db2.gz YBHYIDWGSXZZSM-MGPQQGTHSA-N 2 0 240.391 1.733 20 0 BDADRP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000423493351 387336523 /nfs/dbraw/zinc/33/65/23/387336523.db2.gz BGDJIFRKVSFZBZ-RQJABVFESA-N 2 0 240.391 1.909 20 0 BDADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccnn1C ZINC000423491189 387336840 /nfs/dbraw/zinc/33/68/40/387336840.db2.gz YSIRJVAHIAXHDB-NWDGAFQWSA-N 2 0 236.363 1.603 20 0 BDADRP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423491962 387336987 /nfs/dbraw/zinc/33/69/87/387336987.db2.gz KYGAZXUWDFOTIC-JHJVBQTASA-N 2 0 240.391 1.779 20 0 BDADRP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423496782 387338622 /nfs/dbraw/zinc/33/86/22/387338622.db2.gz XQJISWPSZPUENB-GRYCIOLGSA-N 2 0 212.337 1.143 20 0 BDADRP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)C(C)C ZINC000423504536 387342676 /nfs/dbraw/zinc/34/26/76/387342676.db2.gz GDPMVKKQOPPGMH-NEPJUHHUSA-N 2 0 214.353 1.389 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)C1(C)CC1 ZINC000423521514 387353304 /nfs/dbraw/zinc/35/33/04/387353304.db2.gz QXEBFBVRBPCGOG-QWRGUYRKSA-N 2 0 212.337 1.143 20 0 BDADRP CC[NH+](CC)CCC[NH2+][C@@H](CO)C1CCCC1 ZINC000352679008 387434762 /nfs/dbraw/zinc/43/47/62/387434762.db2.gz OROVDJPUGNZXCG-AWEZNQCLSA-N 2 0 242.407 1.859 20 0 BDADRP CC(C)[C@@H](Cn1cccn1)[NH2+]CCCC[NH3+] ZINC000304299843 387459719 /nfs/dbraw/zinc/45/97/19/387459719.db2.gz HQONKCSNCRCPKY-GFCCVEGCSA-N 2 0 224.352 1.236 20 0 BDADRP Cn1cc(CCC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000515498319 387390568 /nfs/dbraw/zinc/39/05/68/387390568.db2.gz GQXQLFXHKMAOQS-OLZOCXBDSA-N 2 0 236.363 1.212 20 0 BDADRP CSC1(C[NH2+]CCCN2CCOCC2)CC1 ZINC000304300832 387461159 /nfs/dbraw/zinc/46/11/59/387461159.db2.gz OYLYEDQTKFEJTL-UHFFFAOYSA-N 2 0 244.404 1.194 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000572463991 387515721 /nfs/dbraw/zinc/51/57/21/387515721.db2.gz MTLQLNRMAVHJNA-OFTGVCEQSA-N 2 0 226.364 1.802 20 0 BDADRP C[C@@H]([NH2+]C[C@H](C)O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000192796163 387536638 /nfs/dbraw/zinc/53/66/38/387536638.db2.gz BIOQTTJBFYCJEW-YNEHKIRRSA-N 2 0 240.391 1.610 20 0 BDADRP CC[N@@H+]1CC[C@@H](NCC[NH2+]C2CC2)[C@@H](C)C1 ZINC000643506290 387465609 /nfs/dbraw/zinc/46/56/09/387465609.db2.gz QZFWTWMABQTAOI-WCQYABFASA-N 2 0 225.380 1.058 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000643470984 387477435 /nfs/dbraw/zinc/47/74/35/387477435.db2.gz DIRPBVWDSLQMJO-IGQOVBAYSA-N 2 0 240.391 1.645 20 0 BDADRP C[C@@H]([NH2+][C@H]1CC[C@@H](CO)CC1)[C@@H]1CCC[NH2+]1 ZINC000643471005 387477855 /nfs/dbraw/zinc/47/78/55/387477855.db2.gz JCMPIHOPPVFZLQ-NDBYEHHHSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CCC(CO)CC1 ZINC000643471221 387479829 /nfs/dbraw/zinc/47/98/29/387479829.db2.gz FNGYGIOXNILQJO-ABXWRUBCSA-N 2 0 240.391 1.515 20 0 BDADRP CC[C@@H](C)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000304496327 387488687 /nfs/dbraw/zinc/48/86/87/387488687.db2.gz CERHYWJVOMMFPP-CHWSQXEVSA-N 2 0 225.380 1.012 20 0 BDADRP C[C@H](CN[C@H]1CCC[C@H]1[NH3+])C[NH+]1CCCCC1 ZINC000422714094 387628285 /nfs/dbraw/zinc/62/82/85/387628285.db2.gz QRUPTGIRLFHQCR-MCIONIFRSA-N 2 0 239.407 1.578 20 0 BDADRP C[NH+](C)CCCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000375851003 387587755 /nfs/dbraw/zinc/58/77/55/387587755.db2.gz KJUVZUYVYPQCMD-MGPQQGTHSA-N 2 0 239.407 1.401 20 0 BDADRP CC(C)[C@H](CCO)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000123739003 387592147 /nfs/dbraw/zinc/59/21/47/387592147.db2.gz UXVOGZUDVGZUSX-AWEZNQCLSA-N 2 0 242.407 1.856 20 0 BDADRP CCCC[N@H+](C)CCN[C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422714374 387628572 /nfs/dbraw/zinc/62/85/72/387628572.db2.gz QUURTEDEZQRGOY-KBPBESRZSA-N 2 0 241.423 1.839 20 0 BDADRP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000643511630 387593486 /nfs/dbraw/zinc/59/34/86/387593486.db2.gz PLOALQUSLJYSNK-YPMHNXCESA-N 3 0 227.396 1.290 20 0 BDADRP CC[C@H]([NH3+])C(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000375939944 387596697 /nfs/dbraw/zinc/59/66/97/387596697.db2.gz DNQOJPIDXQNTHA-NSHDSACASA-N 2 0 233.315 1.008 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)C[NH3+])C1 ZINC000643514788 387599569 /nfs/dbraw/zinc/59/95/69/387599569.db2.gz DQFZNYSBLZVRQO-HBNTYKKESA-N 2 0 200.326 1.128 20 0 BDADRP Cc1ncc([C@@H](C)[NH2+]C[C@H](C)C[NH3+])s1 ZINC000643514849 387599600 /nfs/dbraw/zinc/59/96/00/387599600.db2.gz QLJUEFLPQOXJTH-HTQZYQBOSA-N 2 0 213.350 1.697 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)C[NH3+])C1 ZINC000643514787 387599789 /nfs/dbraw/zinc/59/97/89/387599789.db2.gz DQFZNYSBLZVRQO-GMTAPVOTSA-N 2 0 200.326 1.128 20 0 BDADRP C[C@@H]1C[C@H](C)N(C[C@@H]2CCC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000422558481 387600795 /nfs/dbraw/zinc/60/07/95/387600795.db2.gz AUVLXBDILNYKNZ-RQJABVFESA-N 2 0 239.407 1.291 20 0 BDADRP C[NH+](C)CCC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000124140096 387606625 /nfs/dbraw/zinc/60/66/25/387606625.db2.gz AQWGEYYXIOTBDD-AWEZNQCLSA-N 2 0 240.391 1.829 20 0 BDADRP CC[N@@H+]1CC[C@@H](CN[C@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000422695587 387613801 /nfs/dbraw/zinc/61/38/01/387613801.db2.gz QAVVDMFQRATZKP-RDBSUJKOSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000422701026 387615203 /nfs/dbraw/zinc/61/52/03/387615203.db2.gz HWEKKYPFHVFWPT-IKOXMDCHSA-N 2 0 240.391 1.907 20 0 BDADRP COC[C@H](C)C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422698704 387616140 /nfs/dbraw/zinc/61/61/40/387616140.db2.gz APEIROXVHHAFAO-IJLUTSLNSA-N 2 0 214.353 1.247 20 0 BDADRP COC[C@@H](C)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422699780 387616293 /nfs/dbraw/zinc/61/62/93/387616293.db2.gz FFKBMRBVGSSJLW-SDDRHHMPSA-N 2 0 214.353 1.389 20 0 BDADRP C[C@H]([NH2+]C[C@@H](O)C1CCCCC1)C1C[NH2+]C1 ZINC000422698665 387616431 /nfs/dbraw/zinc/61/64/31/387616431.db2.gz AKHLNVBIHSGBBF-GXFFZTMASA-N 2 0 226.364 1.125 20 0 BDADRP Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422715232 387629475 /nfs/dbraw/zinc/62/94/75/387629475.db2.gz MAPSUKYMYCMJQS-BBBLOLIVSA-N 2 0 224.352 1.505 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCN(C)CC(F)(F)F ZINC000422704029 387618993 /nfs/dbraw/zinc/61/89/93/387618993.db2.gz JPFZNAVKJUZTSF-IUCAKERBSA-N 2 0 241.301 1.196 20 0 BDADRP CCC[C@H](O)C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422708814 387623009 /nfs/dbraw/zinc/62/30/09/387623009.db2.gz JKQLLKFWCGRKJR-SDDRHHMPSA-N 2 0 214.353 1.125 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)CCO1 ZINC000527533827 387624842 /nfs/dbraw/zinc/62/48/42/387624842.db2.gz VYQBRXLQBRAFMR-UTUOFQBUSA-N 2 0 224.348 1.428 20 0 BDADRP C1CC2(C1)[NH2+]CC[C@H]2[NH2+][C@H]1CCCOCC1 ZINC000527533400 387624895 /nfs/dbraw/zinc/62/48/95/387624895.db2.gz VGVAGWOPLSRZCS-NWDGAFQWSA-N 2 0 224.348 1.430 20 0 BDADRP C1CC2(C1)[NH2+]CC[C@@H]2[NH2+][C@H]1CCCOCC1 ZINC000527533402 387625271 /nfs/dbraw/zinc/62/52/71/387625271.db2.gz VGVAGWOPLSRZCS-RYUDHWBXSA-N 2 0 224.348 1.430 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN1CCC(C[NH+](C)C)CC1 ZINC000042388568 387627988 /nfs/dbraw/zinc/62/79/88/387627988.db2.gz KNFMDVXQAAPECS-CQSZACIVSA-N 2 0 241.423 1.633 20 0 BDADRP CCC(CC)[C@H](O)C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422718873 387630066 /nfs/dbraw/zinc/63/00/66/387630066.db2.gz XXYKPVOMYWLDFR-GRYCIOLGSA-N 2 0 214.353 1.253 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CCN(C)CC(F)(F)F ZINC000422718386 387631411 /nfs/dbraw/zinc/63/14/11/387631411.db2.gz XCDQXRHFEGSIHA-VIFPVBQESA-N 2 0 241.301 1.198 20 0 BDADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C1CC1 ZINC000422726318 387635238 /nfs/dbraw/zinc/63/52/38/387635238.db2.gz DOCAHCWLULISJH-GWCFXTLKSA-N 2 0 204.317 1.697 20 0 BDADRP CC[NH+](CC)CCCN[C@H]1CCC[C@H]1[NH3+] ZINC000422726884 387636623 /nfs/dbraw/zinc/63/66/23/387636623.db2.gz GEUTVFAARMYNRP-NEPJUHHUSA-N 2 0 213.369 1.188 20 0 BDADRP CO[C@H](CN[C@@H]1C[NH2+]CC[C@H]1C)c1ccccc1 ZINC000422730405 387637477 /nfs/dbraw/zinc/63/74/77/387637477.db2.gz DUZGTTJDRTXNQN-BPLDGKMQSA-N 2 0 248.370 1.962 20 0 BDADRP CCC[NH+]1CCC(C[NH2+][C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000422734077 387641030 /nfs/dbraw/zinc/64/10/30/387641030.db2.gz CGCMSJMMYMUREW-CHWSQXEVSA-N 3 0 241.423 1.824 20 0 BDADRP C[C@H](CN[C@@H](C)C[C@H](C)[NH3+])[N@H+](C)C1CC1 ZINC000422735975 387642748 /nfs/dbraw/zinc/64/27/48/387642748.db2.gz FRONCIKYHXQGFU-GARJFASQSA-N 2 0 213.369 1.185 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)NCC[N@H+](C)C1CCCC1 ZINC000422736204 387643442 /nfs/dbraw/zinc/64/34/42/387643442.db2.gz FUNBVIIKPGWEGQ-NEPJUHHUSA-N 2 0 227.396 1.576 20 0 BDADRP C[N@H+](CCN[C@@H]1CCC[C@@H]1[NH3+])C1CCCC1 ZINC000422739855 387645767 /nfs/dbraw/zinc/64/57/67/387645767.db2.gz MAWYYMCSQXKWNT-QWHCGFSZSA-N 2 0 225.380 1.330 20 0 BDADRP C[C@H](CN[C@@H]1CCCCC[C@H]1[NH3+])[NH+](C)C ZINC000422738126 387646074 /nfs/dbraw/zinc/64/60/74/387646074.db2.gz JFKKLBQDBMCVRH-IJLUTSLNSA-N 2 0 213.369 1.186 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@]1(C)CCOC1 ZINC000422738681 387646362 /nfs/dbraw/zinc/64/63/62/387646362.db2.gz ZCEISWKPFUEFMC-AGIUHOORSA-N 2 0 226.364 1.391 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@]1(C)CCOC1 ZINC000422738683 387646424 /nfs/dbraw/zinc/64/64/24/387646424.db2.gz ZCEISWKPFUEFMC-JHJVBQTASA-N 2 0 226.364 1.391 20 0 BDADRP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)ccn1 ZINC000527637867 387646628 /nfs/dbraw/zinc/64/66/28/387646628.db2.gz QAJTYECQVSVIKW-CQSZACIVSA-N 2 0 245.370 1.964 20 0 BDADRP CC[C@H]([NH3+])C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000430778204 387649706 /nfs/dbraw/zinc/64/97/06/387649706.db2.gz PLMADMFFPHWGDA-RYUDHWBXSA-N 2 0 241.379 1.057 20 0 BDADRP CC[C@H](N[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000422746702 387650783 /nfs/dbraw/zinc/65/07/83/387650783.db2.gz WYOYHQNTXVMIEF-UBHSHLNASA-N 2 0 237.391 1.343 20 0 BDADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000125312614 387651928 /nfs/dbraw/zinc/65/19/28/387651928.db2.gz HVBZIGNNFXIUFM-OCCSQVGLSA-N 2 0 240.391 1.733 20 0 BDADRP CC[C@H]([NH2+][C@@H](C)CSC)[C@@H]1CCC[NH2+]1 ZINC000422750028 387655951 /nfs/dbraw/zinc/65/59/51/387655951.db2.gz BXJCLJKVMGCXSA-DCAQKATOSA-N 2 0 216.394 1.858 20 0 BDADRP C[NH+](C)C1(CN[C@H]2CCC[C@H]2[NH3+])CCCCC1 ZINC000422754432 387657628 /nfs/dbraw/zinc/65/76/28/387657628.db2.gz JPBQLAYVDAAEJM-OLZOCXBDSA-N 2 0 239.407 1.720 20 0 BDADRP C[NH+](C)C1(CN[C@@H]2CCC[C@@H]2[NH3+])CCCCC1 ZINC000422754433 387658347 /nfs/dbraw/zinc/65/83/47/387658347.db2.gz JPBQLAYVDAAEJM-QWHCGFSZSA-N 2 0 239.407 1.720 20 0 BDADRP CS[C@@H]1CCC[C@@H]([NH2+][C@H](C)C2C[NH2+]C2)C1 ZINC000422752763 387658523 /nfs/dbraw/zinc/65/85/23/387658523.db2.gz DAOKOYMNBAUWAD-YUSALJHKSA-N 2 0 228.405 1.858 20 0 BDADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)CCC[NH3+] ZINC000430898962 387659502 /nfs/dbraw/zinc/65/95/02/387659502.db2.gz YDJSJHMHSKWIRL-TXEJJXNPSA-N 2 0 241.379 1.104 20 0 BDADRP CSCCCC[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422757375 387660047 /nfs/dbraw/zinc/66/00/47/387660047.db2.gz MQPLYFRCCAJTCV-ZJUUUORDSA-N 2 0 202.367 1.599 20 0 BDADRP C[C@H](NC[C@@H](c1ccccc1)[NH+](C)C)C1C[NH2+]C1 ZINC000422756465 387661120 /nfs/dbraw/zinc/66/11/20/387661120.db2.gz LMWRBPVKFHNMNG-WFASDCNBSA-N 2 0 247.386 1.487 20 0 BDADRP COc1ccccc1CC[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422765115 387664868 /nfs/dbraw/zinc/66/48/68/387664868.db2.gz QFGFMYVMPBMPIT-NSHDSACASA-N 2 0 234.343 1.435 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H](CO)Cc1ccccc1 ZINC000422765123 387665779 /nfs/dbraw/zinc/66/57/79/387665779.db2.gz QFXJCLFAVNQIOH-ZNMIVQPWSA-N 2 0 248.370 1.307 20 0 BDADRP COc1ccccc1CC[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422763561 387666534 /nfs/dbraw/zinc/66/65/34/387666534.db2.gz OVNWRXPNZSDWQC-VXGBXAGGSA-N 2 0 236.359 1.953 20 0 BDADRP CC[N@@H+]1CCC[C@H]1CN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422766500 387668820 /nfs/dbraw/zinc/66/88/20/387668820.db2.gz XLQNYODLPBOUSB-AVGNSLFASA-N 2 0 225.380 1.201 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1NCC[NH+]1CCCC1 ZINC000422770154 387669596 /nfs/dbraw/zinc/66/95/96/387669596.db2.gz UKRATVYCCOXEHR-OLZOCXBDSA-N 2 0 225.380 1.332 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCn1cnc2ccccc21 ZINC000422772155 387670845 /nfs/dbraw/zinc/67/08/45/387670845.db2.gz YXGCTWPWRGRIDU-RYUDHWBXSA-N 2 0 246.358 1.752 20 0 BDADRP C[C@H]([NH3+])CCNC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000422776577 387674845 /nfs/dbraw/zinc/67/48/45/387674845.db2.gz DADGQRHUHCIBCB-JQWIXIFHSA-N 2 0 241.379 1.138 20 0 BDADRP COc1ccc(C)cc1CC[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422777005 387675235 /nfs/dbraw/zinc/67/52/35/387675235.db2.gz BOXDTRWSFWXSLF-GFCCVEGCSA-N 2 0 248.370 1.744 20 0 BDADRP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]C1)[C@H]1CCOC1 ZINC000422779133 387677045 /nfs/dbraw/zinc/67/70/45/387677045.db2.gz BNARPHNPRRZJLX-RFGFWPKPSA-N 2 0 240.391 1.779 20 0 BDADRP C[C@H]([NH2+]CCCOC1CCCCC1)C1C[NH2+]C1 ZINC000422779299 387677302 /nfs/dbraw/zinc/67/73/02/387677302.db2.gz FTMUTBKIDGDCAY-LBPRGKRZSA-N 2 0 240.391 1.923 20 0 BDADRP CC(C)COCCC[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422778733 387677545 /nfs/dbraw/zinc/67/75/45/387677545.db2.gz DXPMSUSROBPTGF-RYUDHWBXSA-N 2 0 216.369 1.765 20 0 BDADRP COC[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)C(C)C ZINC000126362571 387680383 /nfs/dbraw/zinc/68/03/83/387680383.db2.gz OQFXKPBXWNCVBU-JSGCOSHPSA-N 2 0 240.391 1.731 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)NCCC[NH+]1CCCC1 ZINC000422781732 387681278 /nfs/dbraw/zinc/68/12/78/387681278.db2.gz IZGMVTSKLXFRJU-NEPJUHHUSA-N 2 0 213.369 1.188 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422781892 387681444 /nfs/dbraw/zinc/68/14/44/387681444.db2.gz LHKIVIRIAAVLBQ-CHWSQXEVSA-N 3 0 227.396 1.578 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])C12CCC2 ZINC000422782857 387681695 /nfs/dbraw/zinc/68/16/95/387681695.db2.gz NLNMAKKDKXKYQW-QNWHQSFQSA-N 2 0 238.375 1.804 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1NCCC[NH+]1CCCCC1 ZINC000422786940 387685796 /nfs/dbraw/zinc/68/57/96/387685796.db2.gz PINBBTQDRNTASE-KGLIPLIRSA-N 2 0 239.407 1.450 20 0 BDADRP COC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)C1CC1 ZINC000126503549 387686061 /nfs/dbraw/zinc/68/60/61/387686061.db2.gz VUOFUAHCWHLCLA-GXTWGEPZSA-N 2 0 240.391 1.733 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCCOCC1CC1 ZINC000422786060 387686710 /nfs/dbraw/zinc/68/67/10/387686710.db2.gz ODMMAQNLAHEPDA-NEPJUHHUSA-N 2 0 212.337 1.273 20 0 BDADRP CCCCC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422742935 387688863 /nfs/dbraw/zinc/68/88/63/387688863.db2.gz HHLLWBVXVHGDNQ-MGPQQGTHSA-N 2 0 240.391 1.923 20 0 BDADRP CC[C@H]([NH2+][C@H](C)CCCC[NH3+])[C@H]1CCOC1 ZINC000422791495 387693469 /nfs/dbraw/zinc/69/34/69/387693469.db2.gz QGHHSMUVIJPSAD-AGIUHOORSA-N 2 0 228.380 1.909 20 0 BDADRP C[C@@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]1)C[C@H](C)O ZINC000422791203 387693473 /nfs/dbraw/zinc/69/34/73/387693473.db2.gz VQFJWXLPVWJUJJ-WRWGMCAJSA-N 2 0 214.353 1.124 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1NCC[N@@H+]1CCCC[C@H]1C ZINC000422862912 387743655 /nfs/dbraw/zinc/74/36/55/387743655.db2.gz OECOOLQGXNDCLW-MCIONIFRSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@H]1C[NH2+]CC[C@H]1C ZINC000422877135 387756229 /nfs/dbraw/zinc/75/62/29/387756229.db2.gz RBJJWJFLIZZDDN-XWUBHJNHSA-N 2 0 237.391 1.057 20 0 BDADRP C[C@H](N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000422861061 387744840 /nfs/dbraw/zinc/74/48/40/387744840.db2.gz IWPSFOKHDXQSHP-OWTLIXCDSA-N 2 0 237.391 1.342 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NCC[N@@H+]1CCC[C@H](C)C1 ZINC000422868277 387750522 /nfs/dbraw/zinc/75/05/22/387750522.db2.gz UTCMOWBVFJMMON-RWMBFGLXSA-N 2 0 227.396 1.434 20 0 BDADRP C[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000422899160 387750657 /nfs/dbraw/zinc/75/06/57/387750657.db2.gz GVSNLMOBLCZDRF-AGIUHOORSA-N 2 0 226.364 1.676 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000422873314 387751577 /nfs/dbraw/zinc/75/15/77/387751577.db2.gz KZKOYQCRYSZTAB-MRBYEJRBSA-N 2 0 225.380 1.185 20 0 BDADRP C[NH+](C)Cc1ccccc1C(=O)NCC(C)(C)[NH3+] ZINC000422873852 387753466 /nfs/dbraw/zinc/75/34/66/387753466.db2.gz BMXIKFQTHZYJMZ-UHFFFAOYSA-N 2 0 249.358 1.215 20 0 BDADRP CCSCC[C@@H](C)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422804911 387702747 /nfs/dbraw/zinc/70/27/47/387702747.db2.gz IIGPNNVGYGEJFZ-NXEZZACHSA-N 2 0 216.394 1.716 20 0 BDADRP CCCCOCCOCC[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422813154 387711695 /nfs/dbraw/zinc/71/16/95/387711695.db2.gz XPTWUWWMPTVCAH-OLZOCXBDSA-N 2 0 244.379 1.289 20 0 BDADRP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000356746703 387713300 /nfs/dbraw/zinc/71/33/00/387713300.db2.gz RJOUPYSNORRCIH-GFCCVEGCSA-N 2 0 243.395 1.172 20 0 BDADRP C[C@@H]([NH2+]CC1(CCO)CCCC1)[C@H]1CCC[NH2+]1 ZINC000422815577 387714125 /nfs/dbraw/zinc/71/41/25/387714125.db2.gz XZDYSJGRRADIES-CHWSQXEVSA-N 2 0 240.391 1.659 20 0 BDADRP C[C@H]([NH2+]CC1(CCO)CCCC1)[C@H]1CCC[NH2+]1 ZINC000422815587 387715138 /nfs/dbraw/zinc/71/51/38/387715138.db2.gz XZDYSJGRRADIES-QWHCGFSZSA-N 2 0 240.391 1.659 20 0 BDADRP CC[N@H+](CCN[C@@H](C)[C@H]1CCCC[NH2+]1)C(C)C ZINC000422877911 387755354 /nfs/dbraw/zinc/75/53/54/387755354.db2.gz IUUOBFMBWQHEIW-UONOGXRCSA-N 2 0 241.423 1.837 20 0 BDADRP CC[C@@H](NCC[N@H+](CC)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000422879516 387755365 /nfs/dbraw/zinc/75/53/65/387755365.db2.gz MFTURUMPXMDLRT-KGLIPLIRSA-N 2 0 241.423 1.837 20 0 BDADRP CC(C)C[C@@H](CN[C@H](C)[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000422821649 387717717 /nfs/dbraw/zinc/71/77/17/387717717.db2.gz XRFIBLPGOHNZBG-HZSPNIEDSA-N 2 0 241.423 1.693 20 0 BDADRP CC(C)C[C@@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000422821651 387718367 /nfs/dbraw/zinc/71/83/67/387718367.db2.gz XRFIBLPGOHNZBG-MELADBBJSA-N 2 0 241.423 1.693 20 0 BDADRP C[C@H]([NH2+]C[C@]1(C)CCCC[C@@H]1O)[C@@H]1CCC[NH2+]1 ZINC000422826358 387720273 /nfs/dbraw/zinc/72/02/73/387720273.db2.gz QVOCRZRFVRNYCS-XUXIUFHCSA-N 2 0 240.391 1.658 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000422830797 387722797 /nfs/dbraw/zinc/72/27/97/387722797.db2.gz DAQZHIDRBVIPRM-IGQOVBAYSA-N 2 0 239.407 1.576 20 0 BDADRP CC[C@@H](N[C@@H]1CCC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000643523014 387724214 /nfs/dbraw/zinc/72/42/14/387724214.db2.gz SYWFZDFECLRWEY-UPJWGTAASA-N 2 0 225.380 1.249 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1N[C@H]1CCC[NH2+]CC1 ZINC000643522961 387724639 /nfs/dbraw/zinc/72/46/39/387724639.db2.gz PFWXNUQCWCIVKY-XQQFMLRXSA-N 2 0 225.380 1.378 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000422832317 387724745 /nfs/dbraw/zinc/72/47/45/387724745.db2.gz FPVPQORVWAHLCN-RQJABVFESA-N 2 0 239.407 1.447 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCCNc1ccccn1 ZINC000422838788 387728233 /nfs/dbraw/zinc/72/82/33/387728233.db2.gz YBYLWLUFDRDCIJ-VXGBXAGGSA-N 2 0 234.347 1.353 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@H](N[C@H]2CCC[C@@H]2[NH3+])C1 ZINC000422837092 387729622 /nfs/dbraw/zinc/72/96/22/387729622.db2.gz LIAHGVHLSAVHFW-RNJOBUHISA-N 2 0 225.380 1.329 20 0 BDADRP Cc1c([C@H](C)[NH2+][C@H](C)C[C@@H](C)[NH3+])cnn1C ZINC000422837905 387729881 /nfs/dbraw/zinc/72/98/81/387729881.db2.gz VRYPIAROHYQKHR-BBBLOLIVSA-N 2 0 224.352 1.505 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422848224 387734848 /nfs/dbraw/zinc/73/48/48/387734848.db2.gz ANPOWYNTOGCRMZ-JHJVBQTASA-N 2 0 228.380 1.645 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCN1CCC[C@H](C)C1 ZINC000422854384 387736572 /nfs/dbraw/zinc/73/65/72/387736572.db2.gz CPUGTTKWTCBJTG-UONOGXRCSA-N 2 0 241.423 1.825 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CCN1CCC[C@@H](C)C1 ZINC000422854383 387736802 /nfs/dbraw/zinc/73/68/02/387736802.db2.gz CPUGTTKWTCBJTG-KGLIPLIRSA-N 2 0 241.423 1.825 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCN1CCC[C@@H](C)C1 ZINC000422854385 387737431 /nfs/dbraw/zinc/73/74/31/387737431.db2.gz CPUGTTKWTCBJTG-ZIAGYGMSSA-N 2 0 241.423 1.825 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CCN1CCCC[C@@H]1C ZINC000422857092 387739773 /nfs/dbraw/zinc/73/97/73/387739773.db2.gz GVRAIVKLXSUIBY-STQMWFEESA-N 2 0 227.396 1.578 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NCC[N@@H+]1CCCC[C@@H]1C ZINC000422856807 387739835 /nfs/dbraw/zinc/73/98/35/387739835.db2.gz GPHXAMFQOMEBPD-XQQFMLRXSA-N 2 0 227.396 1.576 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)CO[C@@H]1CCOC1 ZINC000422858942 387739910 /nfs/dbraw/zinc/73/99/10/387739910.db2.gz GTYOQACOMSOLAU-FRRDWIJNSA-N 2 0 244.379 1.288 20 0 BDADRP C[C@@H]1CCC[N@H+](CCN[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000422857807 387740983 /nfs/dbraw/zinc/74/09/83/387740983.db2.gz HXYWABPUPVJNIJ-JHJVBQTASA-N 2 0 225.380 1.188 20 0 BDADRP CO[C@H]1C[C@H]([NH2+]C2CCC(C[NH3+])CC2)C1(C)C ZINC000422857220 387742481 /nfs/dbraw/zinc/74/24/81/387742481.db2.gz XYURCUAPTJLLGB-TYUFSLCMSA-N 2 0 240.391 1.907 20 0 BDADRP CC[C@@H](O)CC[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422890559 387763225 /nfs/dbraw/zinc/76/32/25/387763225.db2.gz INTZKKBCZMQVAA-WOPDTQHZSA-N 2 0 214.353 1.268 20 0 BDADRP Cc1nc(CC[NH2+][C@H]2CCC[C@@H]2[NH3+])sc1C ZINC000422890760 387764137 /nfs/dbraw/zinc/76/41/37/387764137.db2.gz JDNSXOYJGHPDFT-QWRGUYRKSA-N 2 0 239.388 1.772 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CCCN1C)c1cnccc1N ZINC000422898006 387765864 /nfs/dbraw/zinc/76/58/64/387765864.db2.gz DGVXZGUHNBMAOG-QWRGUYRKSA-N 2 0 234.347 1.239 20 0 BDADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1CCCC1 ZINC000422904373 387767629 /nfs/dbraw/zinc/76/76/29/387767629.db2.gz XGHQNYVDGHVBEX-CYZMBNFOSA-N 2 0 226.364 1.519 20 0 BDADRP CCn1cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cn1 ZINC000422909240 387768907 /nfs/dbraw/zinc/76/89/07/387768907.db2.gz FJMBSRSDLRJUCP-UWVGGRQHSA-N 2 0 210.325 1.118 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccccc1N(C)C ZINC000422913843 387770972 /nfs/dbraw/zinc/77/09/72/387770972.db2.gz QWYRDJHMQQNDEP-RYUDHWBXSA-N 2 0 235.375 1.968 20 0 BDADRP CC[C@@H](C)[N@H+](C)CCN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422912323 387771313 /nfs/dbraw/zinc/77/13/13/387771313.db2.gz VZVBGVPFLFMIPN-MGPQQGTHSA-N 2 0 241.423 1.837 20 0 BDADRP CC[C@@H](C)[N@H+](C)CCN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422912322 387772153 /nfs/dbraw/zinc/77/21/53/387772153.db2.gz VZVBGVPFLFMIPN-MCIONIFRSA-N 2 0 241.423 1.837 20 0 BDADRP C[C@H](C[NH3+])CNC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000441615190 387772099 /nfs/dbraw/zinc/77/20/99/387772099.db2.gz SOBXYLNRSMSYIS-NQBHXWOUSA-N 2 0 249.358 1.034 20 0 BDADRP C[C@H](O)CC(C)(C)C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422921640 387775385 /nfs/dbraw/zinc/77/53/85/387775385.db2.gz OJNVIQBODHQDHY-AVGNSLFASA-N 2 0 242.407 1.761 20 0 BDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H](C)[NH3+] ZINC000643529724 387776962 /nfs/dbraw/zinc/77/69/62/387776962.db2.gz QMTLIBOYMRUMMH-QJPTWQEYSA-N 2 0 213.369 1.234 20 0 BDADRP CC[C@@H]([NH2+][C@@H]1CCSC1)[C@@H]1CCC[NH2+]1 ZINC000422922291 387777578 /nfs/dbraw/zinc/77/75/78/387777578.db2.gz SMRNADDQWLVUIF-MXWKQRLJSA-N 2 0 214.378 1.612 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@@H]1Cc1ccccc1)C1C[NH2+]C1 ZINC000422921879 387778015 /nfs/dbraw/zinc/77/80/15/387778015.db2.gz PIYIVVFBJUFPBD-CORIIIEPSA-N 2 0 230.355 1.815 20 0 BDADRP CC(F)(F)CC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000357718276 387781377 /nfs/dbraw/zinc/78/13/77/387781377.db2.gz VIFWQDDOXUISBQ-IUCAKERBSA-N 2 0 206.280 1.749 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCOCC(F)(F)F ZINC000422931555 387781419 /nfs/dbraw/zinc/78/14/19/387781419.db2.gz XUOCWPFABBTSIQ-HTQZYQBOSA-N 2 0 228.258 1.281 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000422932984 387781767 /nfs/dbraw/zinc/78/17/67/387781767.db2.gz CWRMTUAVRJEYGZ-ZYHUDNBSSA-N 2 0 236.363 1.894 20 0 BDADRP CCC1(CC)[C@@H]([NH2+]C2CC[NH2+]CC2)C[C@@H]1OC ZINC000422934880 387783399 /nfs/dbraw/zinc/78/33/99/387783399.db2.gz GOQKXDNMOALMKY-STQMWFEESA-N 2 0 240.391 1.922 20 0 BDADRP c1cn(CCC[N@@H+]2CCCO[C@H]3CCC[C@H]32)cn1 ZINC000378441122 387783884 /nfs/dbraw/zinc/78/38/84/387783884.db2.gz GVPJJLFMMHJEJB-KGLIPLIRSA-N 2 0 249.358 1.917 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CN[C@H]1CCC[C@@H]1[NH3+] ZINC000422902035 387787274 /nfs/dbraw/zinc/78/72/74/387787274.db2.gz COAZESYODFHXKH-AGIUHOORSA-N 2 0 225.380 1.330 20 0 BDADRP CC[C@@H]([NH2+]CC1(O)CCC1)[C@@H]1CCC[NH2+]1 ZINC000422980769 387790649 /nfs/dbraw/zinc/79/06/49/387790649.db2.gz QZLNBRSYOIBIBT-MNOVXSKESA-N 2 0 212.337 1.022 20 0 BDADRP CC[C@H]([NH2+]C[C@@](C)(O)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000422979588 387790827 /nfs/dbraw/zinc/79/08/27/387790827.db2.gz NDIBTXAZWRNLHY-RWMBFGLXSA-N 2 0 228.380 1.514 20 0 BDADRP CCC[C@](C)(O)C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422981816 387792898 /nfs/dbraw/zinc/79/28/98/387792898.db2.gz UMVFBJJDEWZMHG-XQQFMLRXSA-N 2 0 228.380 1.515 20 0 BDADRP CC(C)CC[C@](C)(O)C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422983519 387794509 /nfs/dbraw/zinc/79/45/09/387794509.db2.gz ZTQFHDJPWAXFFP-AGIUHOORSA-N 2 0 228.380 1.643 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC1(CCO)CCC1 ZINC000422989601 387798673 /nfs/dbraw/zinc/79/86/73/387798673.db2.gz LYPUMYBOFIITRO-QWHCGFSZSA-N 2 0 240.391 1.646 20 0 BDADRP C1=CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000422993233 387799570 /nfs/dbraw/zinc/79/95/70/387799570.db2.gz RHIREJRFLPWGIY-FKJOKYEKSA-N 2 0 206.333 1.968 20 0 BDADRP CCOCCC1(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000423002793 387801837 /nfs/dbraw/zinc/80/18/37/387801837.db2.gz JSEDVMCTARTOLN-NWDGAFQWSA-N 2 0 226.364 1.663 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(CCO)CCC1 ZINC000422994788 387802517 /nfs/dbraw/zinc/80/25/17/387802517.db2.gz WFKTWHRNJMUDAA-OLZOCXBDSA-N 2 0 240.391 1.517 20 0 BDADRP COc1cccc(CC[NH2+][C@H]2CCC[C@H]2C[NH3+])n1 ZINC000423001246 387804591 /nfs/dbraw/zinc/80/45/91/387804591.db2.gz DIRYEWOYXIIZGY-AAEUAGOBSA-N 2 0 249.358 1.350 20 0 BDADRP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)[C@H](O)Cc1ccccc1 ZINC000423001404 387805778 /nfs/dbraw/zinc/80/57/78/387805778.db2.gz WXGQZVBIGWBRPP-SLEUVZQESA-N 2 0 248.370 1.176 20 0 BDADRP COc1cccc(C[C@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)c1 ZINC000422952229 387806888 /nfs/dbraw/zinc/80/68/88/387806888.db2.gz AMKXEKHINKBETA-RYUDHWBXSA-N 2 0 248.370 1.824 20 0 BDADRP Cc1ccccc1OCC[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422949854 387807842 /nfs/dbraw/zinc/80/78/42/387807842.db2.gz URKZJUDHNAGPTN-GFCCVEGCSA-N 2 0 234.343 1.571 20 0 BDADRP CCN(CC)C(=O)CCC[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422954870 387809305 /nfs/dbraw/zinc/80/93/05/387809305.db2.gz IIIQXQVPTLQZHI-RYUDHWBXSA-N 2 0 243.395 1.350 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(CCO)CC1 ZINC000157512127 387810098 /nfs/dbraw/zinc/81/00/98/387810098.db2.gz ZQBIZMSSVQHFIV-JHJVBQTASA-N 2 0 240.391 1.467 20 0 BDADRP COCC[N@@H+]1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000432117502 387756963 /nfs/dbraw/zinc/75/69/63/387756963.db2.gz UDARIJFSFHYAAZ-GFCCVEGCSA-N 2 0 249.358 1.655 20 0 BDADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422882303 387757892 /nfs/dbraw/zinc/75/78/92/387757892.db2.gz ZWPKZVNPPSAFJH-YYBQKPNHSA-N 2 0 249.402 1.342 20 0 BDADRP C[C@@H]([NH3+])C[NH2+][C@@H](C)C1CCSCC1 ZINC000643526740 387759225 /nfs/dbraw/zinc/75/92/25/387759225.db2.gz FRPVBXPTHQIWLC-BDAKNGLRSA-N 2 0 202.367 1.455 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)cn1 ZINC000422887246 387761408 /nfs/dbraw/zinc/76/14/08/387761408.db2.gz ARKFPVLCPGFCNK-GWCFXTLKSA-N 2 0 237.322 1.828 20 0 BDADRP CCC(O)(CC)C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422972175 387820556 /nfs/dbraw/zinc/82/05/56/387820556.db2.gz KSIGBEMINSCQBX-NEPJUHHUSA-N 2 0 228.380 1.515 20 0 BDADRP C[NH+](C)[C@@H]1CCC[N@H+](CC[C@H]2CCOC2)CC1 ZINC000432795370 387822763 /nfs/dbraw/zinc/82/27/63/387822763.db2.gz WLPRXZIGDZLZMW-UONOGXRCSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](CCO)c1ccccc1 ZINC000422975274 387822889 /nfs/dbraw/zinc/82/28/89/387822889.db2.gz GJJFHHXMGRXEAG-OUCADQQQSA-N 2 0 236.359 1.826 20 0 BDADRP CCC[N@@H+]1CC[C@H](CN[C@@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000422975085 387823021 /nfs/dbraw/zinc/82/30/21/387823021.db2.gz SHROYWZXLZCQRG-MJBXVCDLSA-N 2 0 239.407 1.448 20 0 BDADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H](C)CCO ZINC000422973981 387823260 /nfs/dbraw/zinc/82/32/60/387823260.db2.gz DBICFAUDRQBHGF-YRGRVCCFSA-N 2 0 236.359 1.305 20 0 BDADRP CCC[C@@](C)(O)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422974565 387823595 /nfs/dbraw/zinc/82/35/95/387823595.db2.gz FJJMPZPPHPCSQV-WXRRBKDZSA-N 2 0 228.380 1.645 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@H](CCO)c1ccccc1 ZINC000422975276 387824081 /nfs/dbraw/zinc/82/40/81/387824081.db2.gz GJJFHHXMGRXEAG-YRGRVCCFSA-N 2 0 236.359 1.826 20 0 BDADRP CCC(O)(CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422974074 387824559 /nfs/dbraw/zinc/82/45/59/387824559.db2.gz QHLJBPVCMPHDJR-FOSCPWQOSA-N 2 0 226.364 1.410 20 0 BDADRP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000423003209 387825295 /nfs/dbraw/zinc/82/52/95/387825295.db2.gz LBNSGFVCELLGCS-XQQFMLRXSA-N 2 0 242.407 1.747 20 0 BDADRP CC(C)[C@H](O)C(C)(C)C[NH2+][C@H](C)CCC[NH3+] ZINC000423005052 387825775 /nfs/dbraw/zinc/82/57/75/387825775.db2.gz QJXCOFDJKZIZPI-NEPJUHHUSA-N 2 0 230.396 1.747 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]CCNc1ccccn1 ZINC000423004340 387826600 /nfs/dbraw/zinc/82/66/00/387826600.db2.gz JUZDKISNNCNQDJ-GFCCVEGCSA-N 2 0 236.363 1.601 20 0 BDADRP CCCC[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])CCCC ZINC000442711680 387826995 /nfs/dbraw/zinc/82/69/95/387826995.db2.gz FBYZIYDMBMHVRG-WDEREUQCSA-N 2 0 229.368 1.138 20 0 BDADRP COc1cccc(CC[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)n1 ZINC000423003620 387827018 /nfs/dbraw/zinc/82/70/18/387827018.db2.gz IGZUEUWJEUJNLM-RYUDHWBXSA-N 2 0 249.358 1.220 20 0 BDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCc1ccncc1 ZINC000423007155 387829935 /nfs/dbraw/zinc/82/99/35/387829935.db2.gz QAENYUXSQPBXEA-UONOGXRCSA-N 2 0 233.359 1.874 20 0 BDADRP CCC[C@@H](CCO)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423008523 387830852 /nfs/dbraw/zinc/83/08/52/387830852.db2.gz SWYAAAPNFIXKBN-MELADBBJSA-N 2 0 242.407 1.905 20 0 BDADRP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])C1(C)C ZINC000423011608 387833016 /nfs/dbraw/zinc/83/30/16/387833016.db2.gz BCMUUNBWAJCBQQ-MTVMDMGHSA-N 2 0 228.380 1.761 20 0 BDADRP CCC[C@H](CCO)C[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000423011371 387833529 /nfs/dbraw/zinc/83/35/29/387833529.db2.gz ZIYSLBWQQXKYSJ-MCIONIFRSA-N 2 0 242.407 1.905 20 0 BDADRP Cc1cnccc1CC[NH2+][C@@H](C)CCC[NH3+] ZINC000423010376 387834060 /nfs/dbraw/zinc/83/40/60/387834060.db2.gz GCNXXELJXJCKQF-LBPRGKRZSA-N 2 0 221.348 1.650 20 0 BDADRP CC(C)[C@@H](O)C1(C[NH2+][C@@H](C)CCC[NH3+])CC1 ZINC000423011849 387834122 /nfs/dbraw/zinc/83/41/22/387834122.db2.gz BQMJMGGNZOIKIG-NWDGAFQWSA-N 2 0 228.380 1.501 20 0 BDADRP CC[C@H](CSC)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000423013988 387835539 /nfs/dbraw/zinc/83/55/39/387835539.db2.gz HFQOCWSJQQWTSF-WCBMZHEXSA-N 2 0 202.367 1.326 20 0 BDADRP Cc1cnccc1CC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000423014289 387835800 /nfs/dbraw/zinc/83/58/00/387835800.db2.gz OSZAQIPXGLEPNZ-UONOGXRCSA-N 2 0 233.359 1.650 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@](C)(O)C(F)(F)F ZINC000423013480 387836307 /nfs/dbraw/zinc/83/63/07/387836307.db2.gz MWTRHVRVVHTYCE-IUCAKERBSA-N 2 0 242.285 1.407 20 0 BDADRP CC[C@@H](CSC)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423012442 387837204 /nfs/dbraw/zinc/83/72/04/387837204.db2.gz DAZBXTIJMIMIDN-GARJFASQSA-N 2 0 216.394 1.858 20 0 BDADRP C[C@H](CCO)C1(C[NH2+][C@@H]2CCC[C@H]2[NH3+])CCC1 ZINC000423015004 387838058 /nfs/dbraw/zinc/83/80/58/387838058.db2.gz JUOJNPMOBHREIS-JHJVBQTASA-N 2 0 240.391 1.645 20 0 BDADRP Cc1cncc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])c1 ZINC000423016266 387839394 /nfs/dbraw/zinc/83/93/94/387839394.db2.gz SOPLCXITTMVFRR-STQMWFEESA-N 2 0 219.332 1.607 20 0 BDADRP CO[C@@H]1CCC[C@H]1C[NH2+][C@H](C)CCC[NH3+] ZINC000423017274 387841431 /nfs/dbraw/zinc/84/14/31/387841431.db2.gz OGJCNAGOTCPEJF-GRYCIOLGSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCCN(C)[C@@H]1C ZINC000423027513 387842998 /nfs/dbraw/zinc/84/29/98/387842998.db2.gz DJFPSAZITXEWRT-UTUOFQBUSA-N 2 0 213.369 1.186 20 0 BDADRP C[C@@H]1[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)CCCN1C ZINC000423025934 387844531 /nfs/dbraw/zinc/84/45/31/387844531.db2.gz AGUUNOARTQFGNU-AGIUHOORSA-N 2 0 225.380 1.201 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CCOC1)[C@@H]1CCCC[NH2+]1 ZINC000423030933 387845984 /nfs/dbraw/zinc/84/59/84/387845984.db2.gz KISCTQCXYBDGDA-UPJWGTAASA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H](Cc1cccs1)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000643533402 387846291 /nfs/dbraw/zinc/84/62/91/387846291.db2.gz QYNNVIJMJKAYOG-YJQGPUDQSA-N 2 0 222.357 1.487 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000423034554 387848812 /nfs/dbraw/zinc/84/88/12/387848812.db2.gz ICSGCRNSGRGDRX-ZDUSSCGKSA-N 3 0 241.423 1.825 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](CO)CC1CCCC1 ZINC000423032219 387849321 /nfs/dbraw/zinc/84/93/21/387849321.db2.gz XWSQARFRKWMVKL-GVXVVHGQSA-N 2 0 228.380 1.643 20 0 BDADRP Cc1ncc(C[NH2+][C@@H](C)CCCC[NH3+])c(=O)[nH]1 ZINC000423036975 387850644 /nfs/dbraw/zinc/85/06/44/387850644.db2.gz VFCIYHRPDGITRV-VIFPVBQESA-N 2 0 238.335 1.098 20 0 BDADRP CC(C)OCCCC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000423036249 387850795 /nfs/dbraw/zinc/85/07/95/387850795.db2.gz SVHBYSDHGSQYBQ-NEPJUHHUSA-N 2 0 216.369 1.907 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NCC1(C[NH+](C)C)CCCC1 ZINC000423037082 387851049 /nfs/dbraw/zinc/85/10/49/387851049.db2.gz MGYAPQRJSQJRQL-QWHCGFSZSA-N 2 0 241.423 1.824 20 0 BDADRP CC[C@H]([NH2+][C@H](C)C[C@@H](C)O)[C@@H]1CCC[NH2+]1 ZINC000423037519 387851987 /nfs/dbraw/zinc/85/19/87/387851987.db2.gz WDVPKKQCRSXAGJ-WYUUTHIRSA-N 2 0 214.353 1.266 20 0 BDADRP C[C@H]1C[C@@H]1C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000433027811 387852342 /nfs/dbraw/zinc/85/23/42/387852342.db2.gz XBUBOENTJIYYPH-BFHYXJOUSA-N 2 0 240.391 1.733 20 0 BDADRP CC1=CC[N@H+](CCN[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000423039795 387852715 /nfs/dbraw/zinc/85/27/15/387852715.db2.gz RRKRPCLMBKIGJB-KBPBESRZSA-N 2 0 237.391 1.226 20 0 BDADRP COCCC(C)(C)C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423038246 387853278 /nfs/dbraw/zinc/85/32/78/387853278.db2.gz ODGQFBPCZNYXMQ-QWRGUYRKSA-N 2 0 216.369 1.765 20 0 BDADRP CC1=CC[N@H+](CCN[C@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000423038798 387853449 /nfs/dbraw/zinc/85/34/49/387853449.db2.gz PCHZKHFUSLQBTD-ZIAGYGMSSA-N 2 0 237.391 1.369 20 0 BDADRP CC[C@H](CC(F)(F)F)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000423042296 387854691 /nfs/dbraw/zinc/85/46/91/387854691.db2.gz YYXKTORMOVPMHN-IONNQARKSA-N 2 0 224.270 1.915 20 0 BDADRP Cc1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1 ZINC000193629594 387857942 /nfs/dbraw/zinc/85/79/42/387857942.db2.gz JDLPUVCUGCOLPX-GASCZTMLSA-N 2 0 230.355 1.988 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](CO)Cc1ccccc1 ZINC000423056785 387862389 /nfs/dbraw/zinc/86/23/89/387862389.db2.gz GGZRUESVYYMBOJ-SCRDCRAPSA-N 2 0 236.359 1.305 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000423073443 387874520 /nfs/dbraw/zinc/87/45/20/387874520.db2.gz IRIWQFLVKUDFBJ-GXTWGEPZSA-N 2 0 239.407 1.720 20 0 BDADRP CO[C@H](C)C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000423061528 387864615 /nfs/dbraw/zinc/86/46/15/387864615.db2.gz RCACSCYVTULACC-GMTAPVOTSA-N 2 0 200.326 1.271 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC23CC[NH2+]CC3)[C@H]1C ZINC000643535739 387864688 /nfs/dbraw/zinc/86/46/88/387864688.db2.gz IICGJQBHDKXSQK-RHYQMDGZSA-N 2 0 208.349 1.763 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@H]1CCO)[C@@H]1CCC[NH2+]1 ZINC000423059428 387865309 /nfs/dbraw/zinc/86/53/09/387865309.db2.gz FSMFAUAJNUNREL-CYDGBPFRSA-N 2 0 226.364 1.268 20 0 BDADRP Cc1ccc(C[C@H](CO)[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000423063440 387867111 /nfs/dbraw/zinc/86/71/11/387867111.db2.gz WQDJUFBAGYZNMX-IUODEOHRSA-N 2 0 248.370 1.096 20 0 BDADRP C[C@H](Cc1ccoc1)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643536226 387867051 /nfs/dbraw/zinc/86/70/51/387867051.db2.gz OQHYONDNWHVRBW-DGCLKSJQSA-N 2 0 234.343 1.942 20 0 BDADRP C[C@H]1CC[NH2+]C[C@@H]1NCC1([NH+](C)C)CCC1 ZINC000423063196 387867961 /nfs/dbraw/zinc/86/79/61/387867961.db2.gz VXVFOPFWRJGLMK-RYUDHWBXSA-N 2 0 225.380 1.058 20 0 BDADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+][C@H]1CC[C@@H](C)C1 ZINC000423066579 387869431 /nfs/dbraw/zinc/86/94/31/387869431.db2.gz XHTWBXCQJCOSIP-KSSYENDESA-N 2 0 226.364 1.517 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCOC(F)(F)F ZINC000423068349 387869685 /nfs/dbraw/zinc/86/96/85/387869685.db2.gz JVJITIHRNOLIOM-BDAKNGLRSA-N 2 0 240.269 1.772 20 0 BDADRP Cc1cccc(C[C@H](CO)[NH2+][C@H]2CCC[C@@H]2[NH3+])c1 ZINC000423066481 387870261 /nfs/dbraw/zinc/87/02/61/387870261.db2.gz DUEOZOCRIKPMCF-ILXRZTDVSA-N 2 0 248.370 1.368 20 0 BDADRP CCOC1CC(CC[NH2+][C@H](C)C[C@@H](C)[NH3+])C1 ZINC000423069753 387871079 /nfs/dbraw/zinc/87/10/79/387871079.db2.gz LZCAIBZLNMKADJ-OKZRHMCRSA-N 2 0 228.380 1.907 20 0 BDADRP CCC(C)(C)C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000423070488 387871235 /nfs/dbraw/zinc/87/12/35/387871235.db2.gz CVBYEHVOZLAHST-QJPTWQEYSA-N 2 0 228.380 1.765 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCN(c2ccccn2)C1 ZINC000422963911 387814118 /nfs/dbraw/zinc/81/41/18/387814118.db2.gz HGAXUTAZLNPZHX-YNEHKIRRSA-N 2 0 248.374 1.376 20 0 BDADRP Cc1cccc(NC[C@H]2CCN(C[C@@H](C)[NH3+])C2)[nH+]1 ZINC000442657250 387814926 /nfs/dbraw/zinc/81/49/26/387814926.db2.gz HFUAQLFCNKIFHC-DGCLKSJQSA-N 3 0 248.374 1.471 20 0 BDADRP C[C@H]([NH3+])CN1CC[NH+](CCC(C)(C)C)CC1 ZINC000442662706 387816039 /nfs/dbraw/zinc/81/60/39/387816039.db2.gz HXAOATNXPCFTPW-LBPRGKRZSA-N 2 0 227.396 1.387 20 0 BDADRP COc1ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cn1 ZINC000422967577 387816357 /nfs/dbraw/zinc/81/63/57/387816357.db2.gz UCBOYZXNGYYAMP-UWVGGRQHSA-N 2 0 223.320 1.306 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](C)C(=O)N1CCCCC1 ZINC000422966250 387816453 /nfs/dbraw/zinc/81/64/53/387816453.db2.gz NDTWFRSYXLHWHS-QJPTWQEYSA-N 2 0 241.379 1.103 20 0 BDADRP C[C@H]([NH3+])CN(CCc1ccccc1)[C@@H]1CCOC1 ZINC000442667707 387818962 /nfs/dbraw/zinc/81/89/62/387818962.db2.gz ZRHADJBFIMNLRI-DZGCQCFKSA-N 2 0 248.370 1.667 20 0 BDADRP C[C@H]1CC[N@H+](CCC[NH+]2CCCCC2)C[C@H]1O ZINC000444615768 387893239 /nfs/dbraw/zinc/89/32/39/387893239.db2.gz ZJDMBRNBCPNDAA-UONOGXRCSA-N 2 0 240.391 1.565 20 0 BDADRP COCC[C@@H]([NH2+][C@H]1CC[NH2+]C1)C(C)(C)C ZINC000423115100 387896242 /nfs/dbraw/zinc/89/62/42/387896242.db2.gz MSMMBHCKANVVJN-WDEREUQCSA-N 2 0 214.353 1.389 20 0 BDADRP C[C@H]([NH2+]C[C@](C)(CO)c1ccccc1)C1C[NH2+]C1 ZINC000423114457 387896577 /nfs/dbraw/zinc/89/65/77/387896577.db2.gz VTSJDNPPNCIANO-SWLSCSKDSA-N 2 0 248.370 1.134 20 0 BDADRP COCC[C@H]([NH2+][C@H]1CC[NH2+]C1)C(C)(C)C ZINC000423115098 387896829 /nfs/dbraw/zinc/89/68/29/387896829.db2.gz MSMMBHCKANVVJN-QWRGUYRKSA-N 2 0 214.353 1.389 20 0 BDADRP CCC[N@@H+]1CCC[C@H]1CN[C@@H](C)C[C@H](C)[NH3+] ZINC000423114946 387896909 /nfs/dbraw/zinc/89/69/09/387896909.db2.gz WMGOGYDSDDOZRI-AVGNSLFASA-N 2 0 227.396 1.576 20 0 BDADRP CCSCCC[NH2+][C@H](C)C1C[NH2+]C1 ZINC000423117262 387897751 /nfs/dbraw/zinc/89/77/51/387897751.db2.gz UOSGMPLPPYTQEE-SECBINFHSA-N 2 0 202.367 1.327 20 0 BDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCOCC(F)F ZINC000423072908 387875211 /nfs/dbraw/zinc/87/52/11/387875211.db2.gz QNLSFAUEDXHHMX-UWVGGRQHSA-N 2 0 236.306 1.518 20 0 BDADRP CC(C)(CN[C@H]1CCC[C@H]1[NH3+])C[NH+]1CCCC1 ZINC000423077248 387876549 /nfs/dbraw/zinc/87/65/49/387876549.db2.gz LUCQYNJURSBHAU-OLZOCXBDSA-N 2 0 239.407 1.578 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCOC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423080297 387876626 /nfs/dbraw/zinc/87/66/26/387876626.db2.gz ZLTNCOBGSBGQLD-KKOKHZNYSA-N 2 0 212.337 1.142 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NCC(C)(C)C[NH+]1CCCC1 ZINC000423080917 387876904 /nfs/dbraw/zinc/87/69/04/387876904.db2.gz UACGFNJUKUQJCI-QWHCGFSZSA-N 2 0 241.423 1.824 20 0 BDADRP CSC1(C[NH2+]C2CCC(C[NH3+])CC2)CC1 ZINC000423080571 387877011 /nfs/dbraw/zinc/87/70/11/387877011.db2.gz BUCWAPKSUXWBHU-UHFFFAOYSA-N 2 0 228.405 1.989 20 0 BDADRP C[C@@H](NCC(C)(C)C[NH+]1CCCC1)C1C[NH2+]C1 ZINC000423077655 387877324 /nfs/dbraw/zinc/87/73/24/387877324.db2.gz MNWWMYYVEDIHGK-GFCCVEGCSA-N 2 0 239.407 1.306 20 0 BDADRP C[C@H](NC[C@H]1[N@H+](C)CCCC1(C)C)C1C[NH2+]C1 ZINC000423085182 387879147 /nfs/dbraw/zinc/87/91/47/387879147.db2.gz JYAFECFJMMQXIN-WCQYABFASA-N 2 0 239.407 1.304 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000423082958 387879224 /nfs/dbraw/zinc/87/92/24/387879224.db2.gz FXUSVUUCFTWQJM-RYUDHWBXSA-N 2 0 240.391 1.645 20 0 BDADRP CCSCCC[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423117669 387898520 /nfs/dbraw/zinc/89/85/20/387898520.db2.gz WOOCVJSBNHTDEG-UWVGGRQHSA-N 2 0 204.383 1.845 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+][C@H](CO)CCC(C)(C)C ZINC000423092825 387882714 /nfs/dbraw/zinc/88/27/14/387882714.db2.gz DOVMMHRATIAQHZ-RYUDHWBXSA-N 2 0 230.396 1.891 20 0 BDADRP C[C@@H]([NH2+][C@@H](CO)CCC(C)(C)C)C1C[NH2+]C1 ZINC000423093823 387884361 /nfs/dbraw/zinc/88/43/61/387884361.db2.gz INTOZAAKNCDXLN-ZYHUDNBSSA-N 2 0 228.380 1.371 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H](CO)CC1CCCC1 ZINC000423093714 387886113 /nfs/dbraw/zinc/88/61/13/387886113.db2.gz AEJFMFGHJBAZPX-GXTWGEPZSA-N 2 0 242.407 1.892 20 0 BDADRP CC(C)(C)CC[C@@H](CO)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000423098253 387888061 /nfs/dbraw/zinc/88/80/61/387888061.db2.gz RVITVZQOCQDMEN-OLZOCXBDSA-N 2 0 242.407 1.905 20 0 BDADRP CC[C@@H]([NH2+]CCCCF)[C@@H]1CCC[NH2+]1 ZINC000423142234 387918526 /nfs/dbraw/zinc/91/85/26/387918526.db2.gz USRICNUNNCIQHN-MNOVXSKESA-N 2 0 202.317 1.856 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCSC1 ZINC000423119244 387900812 /nfs/dbraw/zinc/90/08/12/387900812.db2.gz DKOSXULDXLWZSM-AXFHLTTASA-N 2 0 214.378 1.599 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H](CO)C1)[C@@H]1CCC[NH2+]1 ZINC000423125155 387902687 /nfs/dbraw/zinc/90/26/87/387902687.db2.gz NCMWIJAEARGBMI-FQUUOJAGSA-N 2 0 240.391 1.515 20 0 BDADRP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)C1C[NH2+]C1 ZINC000423126976 387904590 /nfs/dbraw/zinc/90/45/90/387904590.db2.gz BKVRVKNWWMQAMH-ZDUSSCGKSA-N 3 0 239.407 1.450 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)C1C[NH2+]C1 ZINC000423129137 387908102 /nfs/dbraw/zinc/90/81/02/387908102.db2.gz DTPXBQISVBQRLM-ZLDLUXBVSA-N 2 0 230.355 1.988 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]C2(CO)CCCC2)CC1 ZINC000236816478 387909260 /nfs/dbraw/zinc/90/92/60/387909260.db2.gz YIKKUOFXHULKEL-UHFFFAOYSA-N 2 0 240.391 1.754 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H]1COc2ccccc21 ZINC000423131196 387909481 /nfs/dbraw/zinc/90/94/81/387909481.db2.gz ZOXDNDYQPOSJMR-RYUDHWBXSA-N 2 0 234.343 1.880 20 0 BDADRP CC[C@@H]([NH2+]CC[C@H](C)F)[C@@H]1CCC[NH2+]1 ZINC000423131277 387910065 /nfs/dbraw/zinc/91/00/65/387910065.db2.gz HWLVAMREJSCQKJ-AXFHLTTASA-N 2 0 202.317 1.855 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](CO)C1CC1 ZINC000423134188 387911037 /nfs/dbraw/zinc/91/10/37/387911037.db2.gz DMIQXNUANIWUEO-RWMBFGLXSA-N 2 0 226.364 1.112 20 0 BDADRP COCC(C)(C)C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000423134013 387912784 /nfs/dbraw/zinc/91/27/84/387912784.db2.gz REDYHAWIIDXISZ-ZJUUUORDSA-N 2 0 200.326 1.128 20 0 BDADRP COCC1(CC[NH2+][C@H](C)C[C@@H](C)[NH3+])CCC1 ZINC000423135614 387913859 /nfs/dbraw/zinc/91/38/59/387913859.db2.gz OBGAIXOGWZJALK-VXGBXAGGSA-N 2 0 228.380 1.909 20 0 BDADRP COCC1(CC[NH2+][C@H](C)C[C@H](C)[NH3+])CCC1 ZINC000423135612 387914062 /nfs/dbraw/zinc/91/40/62/387914062.db2.gz OBGAIXOGWZJALK-NWDGAFQWSA-N 2 0 228.380 1.909 20 0 BDADRP COCC(C)(C)C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423136198 387914261 /nfs/dbraw/zinc/91/42/61/387914261.db2.gz UVTAUYYHJDILQU-UWVGGRQHSA-N 2 0 202.342 1.374 20 0 BDADRP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000423155572 387933902 /nfs/dbraw/zinc/93/39/02/387933902.db2.gz QTZDOKQXMJJOIF-NAWOPXAZSA-N 2 0 226.364 1.374 20 0 BDADRP CC(C)(O)C(C)(C)C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000423154813 387935338 /nfs/dbraw/zinc/93/53/38/387935338.db2.gz JYAUPMYJAFKQKF-NXEZZACHSA-N 2 0 214.353 1.253 20 0 BDADRP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)s1 ZINC000050225618 387926464 /nfs/dbraw/zinc/92/64/64/387926464.db2.gz FMBDAEXHWIUTQA-JTQLQIEISA-N 2 0 210.346 1.837 20 0 BDADRP C[C@@H](CCCCO)[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423149244 387927090 /nfs/dbraw/zinc/92/70/90/387927090.db2.gz AENNAGVZJURPFX-AVGNSLFASA-N 2 0 228.380 1.658 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000423149806 387927297 /nfs/dbraw/zinc/92/72/97/387927297.db2.gz XWJWBTGENFMPSZ-XWLWVQCSSA-N 2 0 200.301 1.594 20 0 BDADRP CC(C)OC(=O)CC[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424289581 387952611 /nfs/dbraw/zinc/95/26/11/387952611.db2.gz LZSWLYREILRBPU-GHMZBOCLSA-N 2 0 228.336 1.188 20 0 BDADRP COCC[C@H](C)C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000423167731 387952713 /nfs/dbraw/zinc/95/27/13/387952713.db2.gz FRRSZBOOCVAUCF-SRVKXCTJSA-N 2 0 214.353 1.376 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000423167896 387952795 /nfs/dbraw/zinc/95/27/95/387952795.db2.gz FZOKAXLTRYAAGE-MNOVXSKESA-N 3 0 232.331 1.550 20 0 BDADRP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000423167174 387953283 /nfs/dbraw/zinc/95/32/83/387953283.db2.gz DPKVMPHWOGNWQT-VQISRLSMSA-N 2 0 246.354 1.496 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)[C@H]1CCC[NH2+]1 ZINC000423170114 387955707 /nfs/dbraw/zinc/95/57/07/387955707.db2.gz XNLFBTMTUOWJDE-XYJRDEOASA-N 2 0 208.349 1.763 20 0 BDADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)[C@@H]1CCC[NH2+]1 ZINC000423170886 387956098 /nfs/dbraw/zinc/95/60/98/387956098.db2.gz NAEWIVHUIZEIFZ-MJBXVCDLSA-N 3 0 239.407 1.448 20 0 BDADRP O[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000423159287 387939857 /nfs/dbraw/zinc/93/98/57/387939857.db2.gz FPUABAIRCIDWRU-XVIXHAIJSA-N 2 0 238.375 1.410 20 0 BDADRP CCO[C@H]1C[C@@H]([NH2+][C@H](CC)[C@@H]2CCC[NH2+]2)C1 ZINC000423160767 387940361 /nfs/dbraw/zinc/94/03/61/387940361.db2.gz HUNKZJWXJQBVPJ-XQHKEYJVSA-N 2 0 226.364 1.674 20 0 BDADRP CC[C@@H]([NH2+]C[C@@H](C)CCCO)[C@@H]1CCC[NH2+]1 ZINC000423163150 387945158 /nfs/dbraw/zinc/94/51/58/387945158.db2.gz VATZJBUPTDIXQL-XQQFMLRXSA-N 2 0 228.380 1.515 20 0 BDADRP C[C@@H]([NH2+]CCC[C@H]1CCOC1)[C@@H]1CCCC[NH2+]1 ZINC000423163045 387945243 /nfs/dbraw/zinc/94/52/43/387945243.db2.gz QJWCYJUMVYYGKB-RDBSUJKOSA-N 2 0 240.391 1.923 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000423163114 387945624 /nfs/dbraw/zinc/94/56/24/387945624.db2.gz QTEPXAWQKDQFSW-FIQHERPVSA-N 2 0 212.337 1.007 20 0 BDADRP COCC[C@@H](C)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423165599 387947452 /nfs/dbraw/zinc/94/74/52/387947452.db2.gz BGUSJERKBAFARG-GRYCIOLGSA-N 2 0 214.353 1.389 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CCN1CCCC1(C)C ZINC000423165004 387948500 /nfs/dbraw/zinc/94/85/00/387948500.db2.gz PGWLQGBABBTMDW-GFCCVEGCSA-N 2 0 227.396 1.578 20 0 BDADRP C([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@H]1CCCO1 ZINC000423165531 387948541 /nfs/dbraw/zinc/94/85/41/387948541.db2.gz YIWPBXNRFNDZNT-ZOBORPQBSA-N 2 0 238.375 1.676 20 0 BDADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H](C)C2C[NH2+]C2)C1 ZINC000423165847 387949702 /nfs/dbraw/zinc/94/97/02/387949702.db2.gz QMPLEYAVISWWCE-ZMLRMANQSA-N 2 0 212.337 1.140 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2C[NH3+])C12CCC2 ZINC000423172847 387958995 /nfs/dbraw/zinc/95/89/95/387958995.db2.gz VQJRZUFFRKIGOZ-MROQNXINSA-N 2 0 238.375 1.661 20 0 BDADRP COCC[C@@H](C)C[NH2+][C@H](C)CCCC[NH3+] ZINC000423171948 387960205 /nfs/dbraw/zinc/96/02/05/387960205.db2.gz QOUZSYQCTLCITN-VXGBXAGGSA-N 2 0 216.369 1.766 20 0 BDADRP C[NH+](C)C[C@@H]1CCN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000245577768 387961172 /nfs/dbraw/zinc/96/11/72/387961172.db2.gz BJZWGFXSYLGRSE-UONOGXRCSA-N 2 0 239.407 1.354 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)[C@@H](C)O1 ZINC000423178254 387964097 /nfs/dbraw/zinc/96/40/97/387964097.db2.gz IFODFJFSKHUZAQ-RYMFRWLXSA-N 2 0 240.391 1.778 20 0 BDADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH2+]CC1 ZINC000423178711 387965002 /nfs/dbraw/zinc/96/50/02/387965002.db2.gz GLSIEARRKQVNDS-AAEUAGOBSA-N 2 0 226.364 1.533 20 0 BDADRP Cc1oncc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000445803225 387968716 /nfs/dbraw/zinc/96/87/16/387968716.db2.gz RSVRTMGMATWCFT-UHFFFAOYSA-N 2 0 237.347 1.757 20 0 BDADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)[C@H]1CC1(C)C ZINC000423188762 387973159 /nfs/dbraw/zinc/97/31/59/387973159.db2.gz QHCSZUKKFJHGGQ-CHWSQXEVSA-N 2 0 239.407 1.306 20 0 BDADRP CC(C)[C@@H]([NH2+]CCC[NH3+])c1ccc(F)cn1 ZINC000423190050 387976881 /nfs/dbraw/zinc/97/68/81/387976881.db2.gz NHASDESRMITYOD-GFCCVEGCSA-N 2 0 225.311 1.856 20 0 BDADRP C[NH2+]CCC[NH2+][C@H](C)c1cccc(OC)c1 ZINC000423192510 387977738 /nfs/dbraw/zinc/97/77/38/387977738.db2.gz VOBYRSDNGAWDGZ-LLVKDONJSA-N 2 0 222.332 1.955 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]CC1([NH3+])CCCCCC1 ZINC000423201808 387987802 /nfs/dbraw/zinc/98/78/02/387987802.db2.gz PRIZDXJHXINSMV-GFCCVEGCSA-N 3 0 227.396 1.755 20 0 BDADRP C1C[C@@H](N[C@@H]2CC[NH2+]C2)[C@H]([C@H]2CCCC[NH2+]2)C1 ZINC000423206749 387991216 /nfs/dbraw/zinc/99/12/16/387991216.db2.gz CUVQIXFCDNVPEE-XJFOESAGSA-N 2 0 237.391 1.249 20 0 BDADRP C(CN1CC[NH2+]CC1)[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000423206346 387991718 /nfs/dbraw/zinc/99/17/18/387991718.db2.gz QNBBOTZXQWFNIW-KGLIPLIRSA-N 2 0 237.391 1.060 20 0 BDADRP C(CN1CC[NH2+]CC1)[NH2+][C@H]1CCCC12CCC2 ZINC000423209794 387992614 /nfs/dbraw/zinc/99/26/14/387992614.db2.gz VRQSFAIWUPJNRJ-ZDUSSCGKSA-N 2 0 237.391 1.204 20 0 BDADRP CC[C@H](NC[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423210609 387995499 /nfs/dbraw/zinc/99/54/99/387995499.db2.gz KCLUNTNIRVAAFW-AGIUHOORSA-N 2 0 225.380 1.106 20 0 BDADRP C[NH2+]CCCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423197799 387984211 /nfs/dbraw/zinc/98/42/11/387984211.db2.gz BFYRDFRMMKOLFY-CHWSQXEVSA-N 2 0 219.332 1.330 20 0 BDADRP C[C@@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]1 ZINC000423213597 387995835 /nfs/dbraw/zinc/99/58/35/387995835.db2.gz KAVDDINJOACRDF-UMSGYPCISA-N 3 0 225.380 1.105 20 0 BDADRP CC[C@@H](COC)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424372502 387997361 /nfs/dbraw/zinc/99/73/61/387997361.db2.gz WNWIMMWEJNJUHN-HBNTYKKESA-N 2 0 200.326 1.271 20 0 BDADRP COCCCC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420406914 387999197 /nfs/dbraw/zinc/99/91/97/387999197.db2.gz UUFPDJFXYOWBBK-KBPBESRZSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@@H]1C[C@H](N[C@@H]2CCCC[C@H]2[NH3+])CC[N@@H+]1C ZINC000424376490 387999713 /nfs/dbraw/zinc/99/97/13/387999713.db2.gz PKGURUYHTJNCMX-FDYHWXHSSA-N 2 0 225.380 1.329 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@H]1CCC[NH2+]C1 ZINC000423220287 388002512 /nfs/dbraw/zinc/00/25/12/388002512.db2.gz XWTRNTLBWXVTME-MQYQWHSLSA-N 2 0 239.407 1.304 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@@H]1CCC[NH2+]C1 ZINC000423220086 388002654 /nfs/dbraw/zinc/00/26/54/388002654.db2.gz XWTRNTLBWXVTME-AAVRWANBSA-N 2 0 239.407 1.304 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@]1(C)CCCO1 ZINC000246116376 388011220 /nfs/dbraw/zinc/01/12/20/388011220.db2.gz UADRXLOMCHJAKD-AAVRWANBSA-N 2 0 240.391 1.874 20 0 BDADRP CC(C)n1cc([C@H](C)[NH2+]CC[C@H](C)[NH3+])cn1 ZINC000423225984 388009439 /nfs/dbraw/zinc/00/94/39/388009439.db2.gz PAARMSWZYLQSCO-QWRGUYRKSA-N 2 0 224.352 1.852 20 0 BDADRP CC[C@H](COC)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424372500 387996462 /nfs/dbraw/zinc/99/64/62/387996462.db2.gz WNWIMMWEJNJUHN-GMTAPVOTSA-N 2 0 200.326 1.271 20 0 BDADRP CC[C@@H]([NH2+]CC[C@H](C)[NH3+])c1cnn(C)c1 ZINC000423227594 388012175 /nfs/dbraw/zinc/01/21/75/388012175.db2.gz WHQDQOCHPSDTFE-GXSJLCMTSA-N 2 0 210.325 1.198 20 0 BDADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H]1CCC[NH2+]1 ZINC000423237231 388021560 /nfs/dbraw/zinc/02/15/60/388021560.db2.gz PSQNSIYJLXVMLJ-NWANDNLSSA-N 2 0 247.386 1.287 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCCO1 ZINC000453283477 388032815 /nfs/dbraw/zinc/03/28/15/388032815.db2.gz JLDSDNGIJQPGTL-TUAOUCFPSA-N 2 0 212.337 1.095 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H]([NH3+])c1ccccc1 ZINC000423254100 388034742 /nfs/dbraw/zinc/03/47/42/388034742.db2.gz XCYIHHKLBGNCAY-VHDGCEQUSA-N 2 0 247.386 1.664 20 0 BDADRP COC[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)C(C)C ZINC000423254449 388035141 /nfs/dbraw/zinc/03/51/41/388035141.db2.gz YCLDGGBKTXFFGR-NEPJUHHUSA-N 2 0 214.353 1.247 20 0 BDADRP C[C@@H]1C[C@H](NC[C@@H]([NH3+])c2ccccc2)CC[N@@H+]1C ZINC000423253654 388035601 /nfs/dbraw/zinc/03/56/01/388035601.db2.gz ZGUCUVSIMQVVQP-BPLDGKMQSA-N 2 0 247.386 1.759 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)CC[N@@H+]1C ZINC000423255115 388037115 /nfs/dbraw/zinc/03/71/15/388037115.db2.gz AUOQVPMLUWKPOI-RDBSUJKOSA-N 3 0 239.407 1.448 20 0 BDADRP COC[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)C(C)C ZINC000423257553 388038217 /nfs/dbraw/zinc/03/82/17/388038217.db2.gz JZYBTALMGZCOKG-QWHCGFSZSA-N 2 0 228.380 1.637 20 0 BDADRP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H]([NH3+])C(C)C ZINC000423263833 388042203 /nfs/dbraw/zinc/04/22/03/388042203.db2.gz PCTVZQUWWZOUCB-RYUDHWBXSA-N 2 0 243.395 1.206 20 0 BDADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@@H](C[NH3+])CC(C)C)C1 ZINC000423265358 388043369 /nfs/dbraw/zinc/04/33/69/388043369.db2.gz QVGYGPYEOYFBRB-YNEHKIRRSA-N 2 0 227.396 1.290 20 0 BDADRP c1ncc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cn1 ZINC000446887911 388043841 /nfs/dbraw/zinc/04/38/41/388043841.db2.gz ZZNXUFPBPLURBN-UHFFFAOYSA-N 2 0 246.358 1.441 20 0 BDADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423245399 388027623 /nfs/dbraw/zinc/02/76/23/388027623.db2.gz ITGZTIVIVAKOSF-YRGRVCCFSA-N 2 0 237.391 1.058 20 0 BDADRP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)[C@@H]1CCOC1 ZINC000423245038 388029040 /nfs/dbraw/zinc/02/90/40/388029040.db2.gz YAROSUBSCYKAJP-WOPDTQHZSA-N 2 0 212.337 1.143 20 0 BDADRP CC[NH2+]CCN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423246902 388029772 /nfs/dbraw/zinc/02/97/72/388029772.db2.gz ZVHMCZSZMKXWGN-OCCSQVGLSA-N 2 0 235.375 1.144 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])NC[C@@H]([NH3+])c1ccccc1 ZINC000423246471 388030400 /nfs/dbraw/zinc/03/04/00/388030400.db2.gz KCVFCUZBPNBVKW-DMDPSCGWSA-N 2 0 221.348 1.402 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[C@@H]2O)CC[N@@H+]1C ZINC000453338221 388050974 /nfs/dbraw/zinc/05/09/74/388050974.db2.gz FVDNQNUPZUIZCM-MQYQWHSLSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)c2nccn21 ZINC000423274940 388055081 /nfs/dbraw/zinc/05/50/81/388055081.db2.gz MPHPOEYBYXCOPW-UPJWGTAASA-N 2 0 248.374 1.868 20 0 BDADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]([NH3+])C(C)C ZINC000423278606 388059558 /nfs/dbraw/zinc/05/95/58/388059558.db2.gz QYTHJFWFWMFYNI-XQQFMLRXSA-N 2 0 228.380 1.765 20 0 BDADRP C[C@@H]1CC[NH+](CC(O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000447300893 388059966 /nfs/dbraw/zinc/05/99/66/388059966.db2.gz ZTIRLWFDOUUWTF-VXGBXAGGSA-N 2 0 226.364 1.031 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1cnccn1 ZINC000423279531 388062642 /nfs/dbraw/zinc/06/26/42/388062642.db2.gz SFHLESRAYJJYEF-QJPTWQEYSA-N 2 0 234.347 1.645 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423283588 388065026 /nfs/dbraw/zinc/06/50/26/388065026.db2.gz XLYHTBDGYYEJKO-MGPQQGTHSA-N 3 0 239.407 1.354 20 0 BDADRP CC[N@@H+]1C[C@@H](C)[C@@H](NCC([NH3+])(CC)CC)C1 ZINC000423283952 388067883 /nfs/dbraw/zinc/06/78/83/388067883.db2.gz GCXAEIMMSNYOCX-NEPJUHHUSA-N 2 0 227.396 1.434 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](COC)C(C)C ZINC000423284649 388067957 /nfs/dbraw/zinc/06/79/57/388067957.db2.gz YQBMBPVWAWBYJN-QWRGUYRKSA-N 2 0 202.342 1.103 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccncn1 ZINC000423285230 388070001 /nfs/dbraw/zinc/07/00/01/388070001.db2.gz YBCLJHNAQJGQOR-DMDPSCGWSA-N 2 0 234.347 1.645 20 0 BDADRP CCOC(=O)[C@@H](CC)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000084105446 388071874 /nfs/dbraw/zinc/07/18/74/388071874.db2.gz YZAVCDUROPQYMN-CMPLNLGQSA-N 2 0 242.363 1.387 20 0 BDADRP C[N@@H+]1CC[C@H](NCC(C)(C)[NH3+])[C@H]2CCC[C@H]21 ZINC000423288324 388072951 /nfs/dbraw/zinc/07/29/51/388072951.db2.gz RSACQJYUWHLNON-GRYCIOLGSA-N 2 0 225.380 1.186 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])[C@H]1CCCO1 ZINC000084215827 388073163 /nfs/dbraw/zinc/07/31/63/388073163.db2.gz VJVWCDLRHLOOMC-UMSGYPCISA-N 2 0 226.364 1.661 20 0 BDADRP COCC[C@H]1CCC[C@H]1[NH2+]CC(C)(C)[NH3+] ZINC000423287696 388073524 /nfs/dbraw/zinc/07/35/24/388073524.db2.gz NWUUCBJRIZULSR-GHMZBOCLSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@@H]1CC[C@H](C[NH2+][C@H]2CN(C)C[C@@H]2C)O1 ZINC000453403020 388073645 /nfs/dbraw/zinc/07/36/45/388073645.db2.gz GQFSMWWCZKIFJD-QCNOEVLYSA-N 2 0 212.337 1.094 20 0 BDADRP C[C@H]([NH3+])c1ccc(CN[C@@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000423290919 388073966 /nfs/dbraw/zinc/07/39/66/388073966.db2.gz FYBOAPPQUHXYCF-TYNCELHUSA-N 2 0 247.386 1.794 20 0 BDADRP C[C@@H]1OCC[C@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453406484 388074708 /nfs/dbraw/zinc/07/47/08/388074708.db2.gz RDCWABWWZCFEDZ-WCQYABFASA-N 2 0 226.364 1.628 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1NCCC[NH+]1CCCC1 ZINC000084218092 388074762 /nfs/dbraw/zinc/07/47/62/388074762.db2.gz MIPFEITWWJWLJV-STQMWFEESA-N 2 0 225.380 1.189 20 0 BDADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000423293264 388075499 /nfs/dbraw/zinc/07/54/99/388075499.db2.gz QPPQKBYMLODHOP-GLQYFDAESA-N 3 0 247.386 1.923 20 0 BDADRP CC[N@@H+]1CCC[C@@H]1CN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000084217866 388075500 /nfs/dbraw/zinc/07/55/00/388075500.db2.gz FFHSXKIHQBZPJP-JHJVBQTASA-N 2 0 225.380 1.188 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@@H]1C[NH2+]CC[C@H]1C ZINC000423293573 388076388 /nfs/dbraw/zinc/07/63/88/388076388.db2.gz AFFUOLVTRRQTKA-IJLUTSLNSA-N 2 0 213.369 1.092 20 0 BDADRP CC[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1cnn(C)c1 ZINC000423294288 388077582 /nfs/dbraw/zinc/07/75/82/388077582.db2.gz BSWMFZKMHTVUAW-GXSJLCMTSA-N 2 0 210.325 1.056 20 0 BDADRP COc1cccc2c1CC[C@H]2[NH2+]C[C@@H](C)C[NH3+] ZINC000423297297 388078207 /nfs/dbraw/zinc/07/82/07/388078207.db2.gz JRKCQDAVKVCULF-GXFFZTMASA-N 2 0 234.343 1.867 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423297758 388079610 /nfs/dbraw/zinc/07/96/10/388079610.db2.gz LTQRGNRWVHPCQS-QJPTWQEYSA-N 2 0 213.369 1.234 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000423297959 388079994 /nfs/dbraw/zinc/07/99/94/388079994.db2.gz MNZTUHFRTUXDCD-YNEHKIRRSA-N 2 0 227.396 1.434 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@@H]2CCCC[C@H]2O)CC1 ZINC000085967537 388097749 /nfs/dbraw/zinc/09/77/49/388097749.db2.gz RVLMQPUHDDNECE-GXTWGEPZSA-N 2 0 240.391 1.611 20 0 BDADRP CC(C)OCCC[NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000086495170 388103592 /nfs/dbraw/zinc/10/35/92/388103592.db2.gz YKBLRDCPEFMJQT-STQMWFEESA-N 2 0 228.380 1.922 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@H]2CCSC2)C1 ZINC000261528046 135152633 /nfs/dbraw/zinc/15/26/33/135152633.db2.gz JBOATPLUCWCLGO-WDEREUQCSA-N 2 0 214.378 1.281 20 0 BDADRP CCN1CCC[C@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000086729103 388108196 /nfs/dbraw/zinc/10/81/96/388108196.db2.gz MWZWMIOAUXWHQF-BPCQOVAHSA-N 2 0 225.380 1.330 20 0 BDADRP CC(C)C[C@H](C[NH3+])N[C@H](C)C[C@H](C)[NH3+] ZINC000423268684 388046986 /nfs/dbraw/zinc/04/69/86/388046986.db2.gz VDJIKAREWFVCCK-HBNTYKKESA-N 2 0 201.358 1.075 20 0 BDADRP CC[C@H]([NH2+]C[C@H](C)C[NH2+]C)c1ccncc1 ZINC000423269503 388049560 /nfs/dbraw/zinc/04/95/60/388049560.db2.gz GZFQPBSNCOBWIZ-YPMHNXCESA-N 2 0 221.348 1.978 20 0 BDADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1cccnc1 ZINC000423272066 388050619 /nfs/dbraw/zinc/05/06/19/388050619.db2.gz JQBAHXVZCDYRRU-WDEREUQCSA-N 2 0 207.321 1.588 20 0 BDADRP CCN(CCO)CC[NH2+][C@@H](C)CC(C)(C)C ZINC000449249718 388162713 /nfs/dbraw/zinc/16/27/13/388162713.db2.gz MVGNHOJWXALHOQ-LBPRGKRZSA-N 2 0 230.396 1.715 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000488444455 388179569 /nfs/dbraw/zinc/17/95/69/388179569.db2.gz HTPACOBWSKPWFF-MCIONIFRSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@H]1C[C@H]1C ZINC000488526692 388184457 /nfs/dbraw/zinc/18/44/57/388184457.db2.gz AVCOJFZTNKIVLP-MGPQQGTHSA-N 2 0 239.407 1.258 20 0 BDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)CC[C@@H](C)[NH3+] ZINC000646012419 388124403 /nfs/dbraw/zinc/12/44/03/388124403.db2.gz OMXUBAUMSCICGP-NEPJUHHUSA-N 2 0 241.379 1.104 20 0 BDADRP C[N@H+](C[C@]1(C)CC[NH2+]C1)[C@H]1CCSC1 ZINC000250807221 388186452 /nfs/dbraw/zinc/18/64/52/388186452.db2.gz RSARKQKEBHRUND-WDEREUQCSA-N 2 0 214.378 1.423 20 0 BDADRP C[C@@H]1[C@@H](CO)CC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000488742233 388193257 /nfs/dbraw/zinc/19/32/57/388193257.db2.gz DIDIAPWMNBDSDF-UPJWGTAASA-N 2 0 226.364 1.173 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CC(C)(C)O)[C@H](C)C1 ZINC000449451553 388209504 /nfs/dbraw/zinc/20/95/04/388209504.db2.gz RLBOVNAEWCGQQC-AGIUHOORSA-N 2 0 242.407 1.856 20 0 BDADRP CCC[C@@H]([NH3+])C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000449618797 388244256 /nfs/dbraw/zinc/24/42/56/388244256.db2.gz LQUJYMRIVVDVDE-GFCCVEGCSA-N 2 0 235.331 1.472 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H]1COCC1(C)C ZINC000451813592 388297667 /nfs/dbraw/zinc/29/76/67/388297667.db2.gz RGAJWKZKVPSARJ-VXGBXAGGSA-N 2 0 226.364 1.485 20 0 BDADRP CCOC[C@H]1CCC[N@H+](CCC[NH3+])C1 ZINC000409425675 256601485 /nfs/dbraw/zinc/60/14/85/256601485.db2.gz GLNVIOLIMUBKJY-NSHDSACASA-N 2 0 200.326 1.084 20 0 BDADRP CC[NH+](CC)CCCN1CCC[C@H](O)[C@@H]1C ZINC000451452490 388274990 /nfs/dbraw/zinc/27/49/90/388274990.db2.gz GXTCGMLTWMYJAW-STQMWFEESA-N 2 0 228.380 1.564 20 0 BDADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000516580281 388356479 /nfs/dbraw/zinc/35/64/79/388356479.db2.gz FNOBWWPJRWKRQF-WCQYABFASA-N 3 0 225.380 1.188 20 0 BDADRP C[NH2+][C@H](C)Cc1noc([C@@H]2CCCCC[NH2+]2)n1 ZINC000572640636 388363651 /nfs/dbraw/zinc/36/36/51/388363651.db2.gz BSWNYJLKNSQDDV-ZJUUUORDSA-N 2 0 238.335 1.425 20 0 BDADRP C[C@H](C[NH3+])N[C@H](C)c1cc(F)ccc1F ZINC000235461946 388369645 /nfs/dbraw/zinc/36/96/45/388369645.db2.gz JKBOQRIIFIOUGH-HTQZYQBOSA-N 2 0 214.259 1.963 20 0 BDADRP CCSCCC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400666594 388373044 /nfs/dbraw/zinc/37/30/44/388373044.db2.gz SVYQWKSQOIVONK-GHMZBOCLSA-N 2 0 216.394 1.860 20 0 BDADRP C[C@H](CNCc1cnn2ccccc12)C[NH+](C)C ZINC000291687422 388376275 /nfs/dbraw/zinc/37/62/75/388376275.db2.gz IMGRGYOGYVZZOU-GFCCVEGCSA-N 2 0 246.358 1.622 20 0 BDADRP COC[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000397230872 388405961 /nfs/dbraw/zinc/40/59/61/388405961.db2.gz FVXNDCJYJXCTIY-WOPDTQHZSA-N 2 0 212.337 1.271 20 0 BDADRP [NH3+]Cc1cccc(NC(=O)CC2CC[NH2+]CC2)c1 ZINC000646578734 388388418 /nfs/dbraw/zinc/38/84/18/388388418.db2.gz CDAUWQXFXNSTRM-UHFFFAOYSA-N 2 0 247.342 1.474 20 0 BDADRP C[C@H]1C[C@@H](C(=O)Nc2cccc(C[NH3+])c2)CC[NH2+]1 ZINC000646578931 388388759 /nfs/dbraw/zinc/38/87/59/388388759.db2.gz JWUFZBKRMAERQU-JQWIXIFHSA-N 2 0 247.342 1.472 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)C[C@@H]2CC[NH2+]C2)c1 ZINC000646626387 388398466 /nfs/dbraw/zinc/39/84/66/388398466.db2.gz OYBOKCYRPAMVQJ-LBPRGKRZSA-N 2 0 247.342 1.344 20 0 BDADRP C[C@@H](C[NH2+][C@H]1CCOC1(C)C)C[NH+](C)C ZINC000336901791 388441702 /nfs/dbraw/zinc/44/17/02/388441702.db2.gz SWUKTWPQCDEHED-QWRGUYRKSA-N 2 0 214.353 1.341 20 0 BDADRP CC(C)N(C)CC[NH2+][C@H](C)CCCC[NH3+] ZINC000336657184 388459191 /nfs/dbraw/zinc/45/91/91/388459191.db2.gz ASMALJQPMPLDPS-GFCCVEGCSA-N 2 0 215.385 1.434 20 0 BDADRP CC[C@H](C[NH2+][C@@H](C)CCCC[NH3+])OC ZINC000336697592 388464548 /nfs/dbraw/zinc/46/45/48/388464548.db2.gz UTEPEKSGAOGLTQ-WDEREUQCSA-N 2 0 202.342 1.519 20 0 BDADRP C[C@@H](CC(C)(C)C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000397555767 388478206 /nfs/dbraw/zinc/47/82/06/388478206.db2.gz LTIADVLXJICNSE-LBPRGKRZSA-N 2 0 242.407 1.857 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C2CCC2)CC[N@@H+]1C ZINC000316335367 388409872 /nfs/dbraw/zinc/40/98/72/388409872.db2.gz GWFZXTGRIIWQPO-KGYLQXTDSA-N 2 0 226.364 1.220 20 0 BDADRP COC[C@@H]([NH2+][C@H](C)CCC[NH3+])C1CC1 ZINC000397231486 388410831 /nfs/dbraw/zinc/41/08/31/388410831.db2.gz GFAZESDHGDJWSN-MWLCHTKSSA-N 2 0 200.326 1.128 20 0 BDADRP CC(C)(CO)CCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000393428965 388429427 /nfs/dbraw/zinc/42/94/27/388429427.db2.gz RJMISIYQELZYAQ-VXGBXAGGSA-N 2 0 228.380 1.502 20 0 BDADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@H]1C[C@H]1C ZINC000322335346 388432058 /nfs/dbraw/zinc/43/20/58/388432058.db2.gz QCAQVOJFKNFEQM-WZRBSPASSA-N 2 0 208.349 1.882 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](CO)CC(C)(C)C ZINC000393520350 388432788 /nfs/dbraw/zinc/43/27/88/388432788.db2.gz OSHWAGJLGFIJLQ-VXGBXAGGSA-N 2 0 246.395 1.127 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+][C@H](CO)CC(C)(C)C ZINC000393536358 388433293 /nfs/dbraw/zinc/43/32/93/388433293.db2.gz ZSAAGCUPBNSOEY-RYUDHWBXSA-N 2 0 230.396 1.891 20 0 BDADRP CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000573266710 388437530 /nfs/dbraw/zinc/43/75/30/388437530.db2.gz KXGQNGCMHYZQLU-FVCCEPFGSA-N 2 0 242.363 1.040 20 0 BDADRP C[C@H]1CSCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000070543630 388437774 /nfs/dbraw/zinc/43/77/74/388437774.db2.gz LWRKTBUTIHNXKT-VHSXEESVSA-N 2 0 200.351 1.033 20 0 BDADRP CSC[C@H](O)C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000517127825 388538825 /nfs/dbraw/zinc/53/88/25/388538825.db2.gz PIEGYJCWUBBEPD-QJPTWQEYSA-N 2 0 246.420 1.173 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCCN1C)[C@]1(C)CCCO1 ZINC000340201458 388489137 /nfs/dbraw/zinc/48/91/37/388489137.db2.gz LFOLOEPMTNFCQT-XQQFMLRXSA-N 2 0 226.364 1.628 20 0 BDADRP C[C@H](F)CC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000340463458 388491074 /nfs/dbraw/zinc/49/10/74/388491074.db2.gz QMYPWEVSDIGQRO-VWYCJHECSA-N 2 0 202.317 1.664 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CS1 ZINC000397773852 388497934 /nfs/dbraw/zinc/49/79/34/388497934.db2.gz AGLUDGGQXYNYPL-WISYIIOYSA-N 2 0 228.405 1.988 20 0 BDADRP COC[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)C1CC1 ZINC000398026581 388514420 /nfs/dbraw/zinc/51/44/20/388514420.db2.gz JXRWJUQDGMDCGW-PWSUYJOCSA-N 2 0 212.337 1.001 20 0 BDADRP COC(=O)CC1(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000520833204 388514557 /nfs/dbraw/zinc/51/45/57/388514557.db2.gz OUGMBFJOZHISFW-WDEREUQCSA-N 2 0 240.347 1.141 20 0 BDADRP CC(C)[C@H](CO)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000348287062 388527879 /nfs/dbraw/zinc/52/78/79/388527879.db2.gz AODSXCBUTHXJCL-YIYPIFLZSA-N 2 0 242.407 1.569 20 0 BDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)C1CC1 ZINC000186601413 388601626 /nfs/dbraw/zinc/60/16/26/388601626.db2.gz UQGYMTQYYXXBKQ-CHWSQXEVSA-N 2 0 239.407 1.401 20 0 BDADRP O[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000186792216 388603978 /nfs/dbraw/zinc/60/39/78/388603978.db2.gz LQGUNSNPUSZUJB-REWJHTLYSA-N 2 0 238.375 1.506 20 0 BDADRP C(C[C@H]1CCOC1)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000220587654 388605604 /nfs/dbraw/zinc/60/56/04/388605604.db2.gz ITMNPIWPJUPVRD-IHRRRGAJSA-N 2 0 238.375 1.629 20 0 BDADRP CC[N@H+](CCN[C@H]1CC[NH+](C)C[C@H]1C)C1CC1 ZINC000360930396 388559259 /nfs/dbraw/zinc/55/92/59/388559259.db2.gz LGBUDZLQQIVVFD-OCCSQVGLSA-N 2 0 239.407 1.401 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CCCC[C@H]1C[NH3+])C(C)C ZINC000362977211 388563017 /nfs/dbraw/zinc/56/30/17/388563017.db2.gz PLKXQJCIYVGDEK-RWMBFGLXSA-N 2 0 228.380 1.765 20 0 BDADRP CO[C@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])C(C)C ZINC000362976569 388563255 /nfs/dbraw/zinc/56/32/55/388563255.db2.gz KTBUXGCTHGMEDO-SDDRHHMPSA-N 2 0 214.353 1.374 20 0 BDADRP Cc1cnccc1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000385061712 388573348 /nfs/dbraw/zinc/57/33/48/388573348.db2.gz UPBDZKFUKABZEG-RYUDHWBXSA-N 2 0 219.332 1.559 20 0 BDADRP CC[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000248013266 388671612 /nfs/dbraw/zinc/67/16/12/388671612.db2.gz LMBQXJKJYOZTOX-OLZOCXBDSA-N 2 0 228.380 1.611 20 0 BDADRP COC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000248419432 388678506 /nfs/dbraw/zinc/67/85/06/388678506.db2.gz VCEHBRZGTIQUMB-OLZOCXBDSA-N 2 0 238.375 1.772 20 0 BDADRP COCCC1CC[NH+]([C@H](C)C[C@H](C)[NH3+])CC1 ZINC000530212333 388626704 /nfs/dbraw/zinc/62/67/04/388626704.db2.gz QIRWIUCNFLERAK-NWDGAFQWSA-N 2 0 228.380 1.861 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC[C@@H]1CCCOC1 ZINC000530209506 388627377 /nfs/dbraw/zinc/62/73/77/388627377.db2.gz IHGSWZYHRBWPAF-HZSPNIEDSA-N 2 0 240.391 1.781 20 0 BDADRP CC1(C)C[C@H]([NH2+]CC[C@@H]2CCCOC2)CC[NH2+]1 ZINC000530212956 388627436 /nfs/dbraw/zinc/62/74/36/388627436.db2.gz SGFNHPLIWZYNBT-QWHCGFSZSA-N 2 0 240.391 1.923 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC[C@H]2CCCOC2)C1 ZINC000530210281 388627793 /nfs/dbraw/zinc/62/77/93/388627793.db2.gz JADDFWCNVDASLC-UPJWGTAASA-N 2 0 226.364 1.663 20 0 BDADRP COc1ccc(CC[NH2+][C@H]2CCC[C@H]2[NH3+])cn1 ZINC000530218104 388630042 /nfs/dbraw/zinc/63/00/42/388630042.db2.gz FDSDLAGQZBNMAC-NEPJUHHUSA-N 2 0 235.331 1.102 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000530218173 388630442 /nfs/dbraw/zinc/63/04/42/388630442.db2.gz IAGCCCUMSMEUFG-JHJVBQTASA-N 2 0 237.391 1.201 20 0 BDADRP c1cc2c(cc1N[C@@H]1CCC[NH2+]C1)OCC[NH2+]C2 ZINC000530246059 388638982 /nfs/dbraw/zinc/63/89/82/388638982.db2.gz AIZWJDXZICBGIT-CYBMUJFWSA-N 2 0 247.342 1.333 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@]23C[C@@H]2COC3(C)C)CC[NH2+]1 ZINC000530244713 388639148 /nfs/dbraw/zinc/63/91/48/388639148.db2.gz MZELWGZDSCAZNW-BYNQJWBRSA-N 2 0 238.375 1.532 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCOC1 ZINC000251462817 388643908 /nfs/dbraw/zinc/64/39/08/388643908.db2.gz UYEUDUSAUCFYEM-SDDRHHMPSA-N 2 0 212.337 1.273 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(C)CCCO2)[C@H](C)C1 ZINC000247144044 388659755 /nfs/dbraw/zinc/65/97/55/388659755.db2.gz RBHQNCPZKRRJDY-HZSPNIEDSA-N 2 0 240.391 1.875 20 0 BDADRP O[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128025988 388736696 /nfs/dbraw/zinc/73/66/96/388736696.db2.gz LQGUNSNPUSZUJB-MQYQWHSLSA-N 2 0 238.375 1.506 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCCS1 ZINC000250838234 388741294 /nfs/dbraw/zinc/74/12/94/388741294.db2.gz LGBOJPPCTGFUNF-TUAOUCFPSA-N 2 0 228.405 1.989 20 0 BDADRP CC[C@H](O)CC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000128310238 388747374 /nfs/dbraw/zinc/74/73/74/388747374.db2.gz FAZGYYQYHFFZFF-ZDUSSCGKSA-N 2 0 228.380 1.610 20 0 BDADRP CCc1cnc(CN2CC[C@H]([NH3+])[C@@H](C)C2)o1 ZINC000226422372 388718145 /nfs/dbraw/zinc/71/81/45/388718145.db2.gz HLOWIMSJTLEFQB-ONGXEEELSA-N 2 0 223.320 1.406 20 0 BDADRP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000127352276 388721347 /nfs/dbraw/zinc/72/13/47/388721347.db2.gz QLXDCDQDUNHYGQ-BFHYXJOUSA-N 2 0 241.423 1.647 20 0 BDADRP COC[C@H](C)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000249452212 388721328 /nfs/dbraw/zinc/72/13/28/388721328.db2.gz CPTQOTDBTDMPPK-KGLIPLIRSA-N 2 0 240.391 1.687 20 0 BDADRP CC[C@H](O)C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000229971290 388807687 /nfs/dbraw/zinc/80/76/87/388807687.db2.gz YSYJIDAWXDDHMJ-AVGNSLFASA-N 2 0 228.380 1.658 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCOC1 ZINC000128979871 388808819 /nfs/dbraw/zinc/80/88/19/388808819.db2.gz DEOBRWRSTKWYAF-AVGNSLFASA-N 2 0 238.375 1.485 20 0 BDADRP CCOC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000230062690 388811410 /nfs/dbraw/zinc/81/14/10/388811410.db2.gz UXCBOZMQNSOWME-STQMWFEESA-N 2 0 228.380 1.731 20 0 BDADRP Cc1c[nH+]ccc1N1C[C@@H](C[NH3+])C[C@H]1C ZINC000228081287 388769649 /nfs/dbraw/zinc/76/96/49/388769649.db2.gz KQUMDVSKJHPHPU-GHMZBOCLSA-N 2 0 205.305 1.564 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@]1(C)CCCO1 ZINC000252708588 388771332 /nfs/dbraw/zinc/77/13/32/388771332.db2.gz AMODOLHEMRSXOD-JHJVBQTASA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1cscn1 ZINC000252710787 388773157 /nfs/dbraw/zinc/77/31/57/388773157.db2.gz HRVZGNMDGYFDEX-CMPLNLGQSA-N 2 0 239.388 1.615 20 0 BDADRP CC[C@H](O)CC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000252709684 388773878 /nfs/dbraw/zinc/77/38/78/388773878.db2.gz DNCWOUHRVFXRCO-WOPDTQHZSA-N 2 0 214.353 1.077 20 0 BDADRP Cc1noc(C)c1CN[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252716051 388774736 /nfs/dbraw/zinc/77/47/36/388774736.db2.gz XLBMTERZOIJNFW-NOZJJQNGSA-N 2 0 237.347 1.721 20 0 BDADRP CCn1ccnc1CN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229086938 388779411 /nfs/dbraw/zinc/77/94/11/388779411.db2.gz DURSEPHVFBWGNU-NEPJUHHUSA-N 2 0 236.363 1.320 20 0 BDADRP CC[NH+](CC)CCC[N@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000554848105 388832913 /nfs/dbraw/zinc/83/29/13/388832913.db2.gz HNAFDSNRZDCLKW-HDJSIYSDSA-N 2 0 242.407 1.954 20 0 BDADRP Cc1cnccc1C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000129860203 388873727 /nfs/dbraw/zinc/87/37/27/388873727.db2.gz ODLJKKMZCLYYFV-AAEUAGOBSA-N 2 0 219.332 1.702 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC2CCOCC2)CC[N@@H+]1C ZINC000094722724 388868347 /nfs/dbraw/zinc/86/83/47/388868347.db2.gz VCZOAAWYHUSMKC-WCQYABFASA-N 2 0 226.364 1.485 20 0 BDADRP C[NH2+][C@H](C)Cc1noc(C2([NH3+])CCCCC2)n1 ZINC000564959621 388903157 /nfs/dbraw/zinc/90/31/57/388903157.db2.gz FICPPKQCYDNLJX-SECBINFHSA-N 2 0 238.335 1.338 20 0 BDADRP C[C@H]([NH2+]CCOCC1CCC1)C1C[NH2+]C1 ZINC000564560226 388878566 /nfs/dbraw/zinc/87/85/66/388878566.db2.gz WWMTXKBRJXUCGH-JTQLQIEISA-N 2 0 212.337 1.001 20 0 BDADRP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000565227246 388929296 /nfs/dbraw/zinc/92/92/96/388929296.db2.gz WWUUZMURQUTUOO-XQQFMLRXSA-N 2 0 242.407 1.889 20 0 BDADRP CCN(C)C[C@@H](O)C[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000565724112 388963538 /nfs/dbraw/zinc/96/35/38/388963538.db2.gz LTPLOJDIQJYYJL-ZIAGYGMSSA-N 2 0 240.391 1.421 20 0 BDADRP C[C@H]1C[C@H](C[N@@H+]2CC[C@H](OC(F)F)C2)CC[NH2+]1 ZINC000565351343 388939602 /nfs/dbraw/zinc/93/96/02/388939602.db2.gz JYRXRUPYRDAEKG-AXFHLTTASA-N 2 0 248.317 1.688 20 0 BDADRP [NH3+]Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000565599132 388956965 /nfs/dbraw/zinc/95/69/65/388956965.db2.gz MKXDTHJDUHCYBA-CABCVRRESA-N 3 0 247.386 1.752 20 0 BDADRP CC(C)[NH2+]CCCN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000566004076 388982142 /nfs/dbraw/zinc/98/21/42/388982142.db2.gz MXUIDKRMDRBMEN-CHWSQXEVSA-N 2 0 227.396 1.495 20 0 BDADRP COC(=O)CCC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566010378 388983438 /nfs/dbraw/zinc/98/34/38/388983438.db2.gz OSOPLDBRBQXBFO-CYBMUJFWSA-N 2 0 240.347 1.015 20 0 BDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCCOCC(F)(F)F ZINC000566089265 388986299 /nfs/dbraw/zinc/98/62/99/388986299.db2.gz PNDWNFQSAYWIRL-IUCAKERBSA-N 2 0 240.269 1.425 20 0 BDADRP C[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)[C@H]1CCC[NH2+]1 ZINC000400381224 533352271 /nfs/dbraw/zinc/35/22/71/533352271.db2.gz XBNZMLWTJJEYIH-QJPTWQEYSA-N 2 0 228.380 1.514 20 0 BDADRP C([C@H]1CCSC1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257675207 533376244 /nfs/dbraw/zinc/37/62/44/533376244.db2.gz JNDIMTAKGWCTBL-GFCCVEGCSA-N 2 0 240.416 1.815 20 0 BDADRP C([C@H]1CCSC1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000257737255 533377255 /nfs/dbraw/zinc/37/72/55/533377255.db2.gz YHYBNWNUESGION-GFCCVEGCSA-N 2 0 240.416 1.815 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCOC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000400692575 533546437 /nfs/dbraw/zinc/54/64/37/533546437.db2.gz ZLTNCOBGSBGQLD-WYUUTHIRSA-N 2 0 212.337 1.142 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCC[C@@H]2CCOC2)CC[N@@H+]1C ZINC000400587363 533647764 /nfs/dbraw/zinc/64/77/64/533647764.db2.gz NWUJHAHOJSJWDS-MCIONIFRSA-N 2 0 240.391 1.875 20 0 BDADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@H](C)C[NH+](CC)CC ZINC000041680203 322836413 /nfs/dbraw/zinc/83/64/13/322836413.db2.gz FYDBLLLSVHWVDL-UTUOFQBUSA-N 2 0 243.395 1.206 20 0 BDADRP CCOCC[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC000274820802 132203839 /nfs/dbraw/zinc/20/38/39/132203839.db2.gz PJFFEXKUOZJONF-UHFFFAOYSA-N 2 0 249.358 1.549 20 0 BDADRP Cc1cc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc[nH+]1 ZINC000336626370 132249188 /nfs/dbraw/zinc/24/91/88/132249188.db2.gz XBVVYVYSCAOOSS-RYUDHWBXSA-N 2 0 219.332 1.919 20 0 BDADRP Cc1cc(N2CCC[C@@H]([NH+](C)C)C2)cc[nH+]1 ZINC000302230941 132262202 /nfs/dbraw/zinc/26/22/02/132262202.db2.gz XHMVXPFRSXEDHE-CYBMUJFWSA-N 2 0 219.332 1.920 20 0 BDADRP C[C@H](O)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000035601413 132338508 /nfs/dbraw/zinc/33/85/08/132338508.db2.gz OFIHETBXZRLPIF-NSHDSACASA-N 2 0 235.331 1.021 20 0 BDADRP Cc1ccc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)nc1 ZINC000336124895 134092784 /nfs/dbraw/zinc/09/27/84/134092784.db2.gz GGHCWHGBAZKPHB-HNNXBMFYSA-N 2 0 245.370 1.918 20 0 BDADRP C[C@H]1C[N@H+](C)CCN1CC[C@H]1CCC[NH+]1C ZINC000336214851 134136391 /nfs/dbraw/zinc/13/63/91/134136391.db2.gz BKSPVNSYWITXMP-QWHCGFSZSA-N 2 0 225.380 1.107 20 0 BDADRP Cn1cncc1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000177276213 134299173 /nfs/dbraw/zinc/29/91/73/134299173.db2.gz RKNANHYYAIXPBH-GFCCVEGCSA-N 2 0 234.347 1.090 20 0 BDADRP C[C@H](CC[NH3+])[NH2+]Cc1cc(F)cc(F)c1 ZINC000220537832 134309814 /nfs/dbraw/zinc/30/98/14/134309814.db2.gz DCFBFGOEUCOWCB-MRVPVSSYSA-N 2 0 214.259 1.792 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000178976401 134314258 /nfs/dbraw/zinc/31/42/58/134314258.db2.gz MWZWRTKIFBMGKK-ZDUSSCGKSA-N 2 0 224.348 1.098 20 0 BDADRP CC[NH+]1CCC([NH2+]CC2(C)CCOCC2)CC1 ZINC000223815215 134343183 /nfs/dbraw/zinc/34/31/83/134343183.db2.gz PLXWGADJYVRIJC-UHFFFAOYSA-N 2 0 240.391 1.877 20 0 BDADRP CC(C)(CCCO)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000227919293 134399492 /nfs/dbraw/zinc/39/94/92/134399492.db2.gz VLVBEXKFOLTPPI-CHWSQXEVSA-N 2 0 242.407 1.892 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCOC2)CC[N@@H+]1C ZINC000230410476 134514927 /nfs/dbraw/zinc/51/49/27/134514927.db2.gz CQDAVWVYTDAKPF-UPJWGTAASA-N 2 0 226.364 1.485 20 0 BDADRP C(C[NH2+]C[C@@H]1CCSC1)C[NH+]1CCCC1 ZINC000163626477 135021681 /nfs/dbraw/zinc/02/16/81/135021681.db2.gz ZZZKHAKCVPKORY-LBPRGKRZSA-N 2 0 228.405 1.815 20 0 BDADRP c1cn(CCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000250242972 135050180 /nfs/dbraw/zinc/05/01/80/135050180.db2.gz JSJBWTWGXNISNK-KBPBESRZSA-N 2 0 248.374 1.490 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCOCC2)C1 ZINC000250314061 135051959 /nfs/dbraw/zinc/05/19/59/135051959.db2.gz MFWFTJOMEKSMBP-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@H](CO)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000251068972 135062227 /nfs/dbraw/zinc/06/22/27/135062227.db2.gz FAHIOKOCLKYBRN-WUHRBBMRSA-N 2 0 226.364 1.125 20 0 BDADRP COC[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000251087303 135063736 /nfs/dbraw/zinc/06/37/36/135063736.db2.gz JJORUJZCSDZZPA-AAVRWANBSA-N 2 0 240.391 1.779 20 0 BDADRP O[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251214568 135066567 /nfs/dbraw/zinc/06/65/67/135066567.db2.gz LQGUNSNPUSZUJB-XDQVBPFNSA-N 2 0 238.375 1.506 20 0 BDADRP CC[C@@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000086435411 135084067 /nfs/dbraw/zinc/08/40/67/135084067.db2.gz MUMMYILTGIJNEO-LLVKDONJSA-N 2 0 200.326 1.084 20 0 BDADRP CC(C)[C@@H]1CCC[N@@H+]1CCOCC[NH3+] ZINC000086435904 135084306 /nfs/dbraw/zinc/08/43/06/135084306.db2.gz FIWANSGFDNYDJD-NSHDSACASA-N 2 0 200.326 1.082 20 0 BDADRP CC(C)C[N@H+](CCOCC[NH3+])C1CC1 ZINC000086435541 135084399 /nfs/dbraw/zinc/08/43/99/135084399.db2.gz REVZGEPBJRXKJS-UHFFFAOYSA-N 2 0 200.326 1.082 20 0 BDADRP [NH3+]CCOCC[NH+]1CCC(C(F)(F)F)CC1 ZINC000086435890 135084732 /nfs/dbraw/zinc/08/47/32/135084732.db2.gz HKZBMPWXVHGWJI-UHFFFAOYSA-N 2 0 240.269 1.236 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCN3CCCC[C@H]23)CCO1 ZINC000252160141 135085523 /nfs/dbraw/zinc/08/55/23/135085523.db2.gz PSNZWLHTSQLYNJ-YIYPIFLZSA-N 2 0 238.375 1.770 20 0 BDADRP CCOCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000086494379 135086749 /nfs/dbraw/zinc/08/67/49/135086749.db2.gz KQPRSWXKQFCHCR-XQQFMLRXSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCC[NH3+] ZINC000086501009 135087687 /nfs/dbraw/zinc/08/76/87/135087687.db2.gz LNOBKBSHJOAXAE-NEPJUHHUSA-N 2 0 213.369 1.236 20 0 BDADRP CC[C@H](O)CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252703059 135098688 /nfs/dbraw/zinc/09/86/88/135098688.db2.gz DBIFVIOGBOMAEP-AVGNSLFASA-N 2 0 226.364 1.364 20 0 BDADRP Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000257735687 135100418 /nfs/dbraw/zinc/10/04/18/135100418.db2.gz KMWNZDVMXIYWHA-LLVKDONJSA-N 2 0 222.336 1.197 20 0 BDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000252711796 135100496 /nfs/dbraw/zinc/10/04/96/135100496.db2.gz KQAXJRZDJVRVHX-FRRDWIJNSA-N 2 0 226.364 1.343 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@@H](C)[C@@H](C)O)CC1 ZINC000087128983 135107374 /nfs/dbraw/zinc/10/73/74/135107374.db2.gz HIXTZXJSBQGDNL-WDEREUQCSA-N 2 0 214.353 1.220 20 0 BDADRP C[C@H](O)C[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000252759515 135107654 /nfs/dbraw/zinc/10/76/54/135107654.db2.gz LLHPGXSPCFPGKC-ZDEQEGDKSA-N 2 0 226.364 1.362 20 0 BDADRP C(C1CC1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000261544815 135108487 /nfs/dbraw/zinc/10/84/87/135108487.db2.gz JCZRISHQHXDPED-ZDUSSCGKSA-N 2 0 208.349 1.718 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000261539969 135109216 /nfs/dbraw/zinc/10/92/16/135109216.db2.gz CVHGVEFHNFIGBR-MJBXVCDLSA-N 3 0 241.423 1.824 20 0 BDADRP NC[C@H]1c2ccccc2CC[N@H+]1C[C@H]1CCOC1 ZINC000252795157 135110597 /nfs/dbraw/zinc/11/05/97/135110597.db2.gz ZYVCRCBZWKDXED-DOMZBBRYSA-N 2 0 246.354 1.581 20 0 BDADRP COCCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252853369 135113033 /nfs/dbraw/zinc/11/30/33/135113033.db2.gz JBGNIOJYOZUUSS-SDDRHHMPSA-N 2 0 212.337 1.082 20 0 BDADRP C[C@]1(C[NH2+]C[C@@]2(C)CC[NH2+]C2)CCCO1 ZINC000087255593 135116194 /nfs/dbraw/zinc/11/61/94/135116194.db2.gz RVNBPJFBTPZFFR-NWDGAFQWSA-N 2 0 212.337 1.145 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)C1([NH3+])CCCCC1 ZINC000262458295 135119107 /nfs/dbraw/zinc/11/91/07/135119107.db2.gz VAHIKNGGFGASPF-UHFFFAOYSA-N 2 0 241.379 1.282 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000253140404 135121857 /nfs/dbraw/zinc/12/18/57/135121857.db2.gz WNZASHWHQKJURP-FDYHWXHSSA-N 2 0 210.365 1.997 20 0 BDADRP C[C@H](CCCO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000087358263 135124356 /nfs/dbraw/zinc/12/43/56/135124356.db2.gz GJXHDQHLQHOLDI-ODWCKFRGSA-N 2 0 226.364 1.362 20 0 BDADRP CC[C@H](CCO)C[NH2+]C1CC[NH+](CC)CC1 ZINC000087362486 135126533 /nfs/dbraw/zinc/12/65/33/135126533.db2.gz HKRPPHHSTHPWNP-GFCCVEGCSA-N 2 0 228.380 1.469 20 0 BDADRP c1cncc(CC[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000257719911 135140651 /nfs/dbraw/zinc/14/06/51/135140651.db2.gz VKDCWPHOIWSURT-CQSZACIVSA-N 2 0 231.343 1.310 20 0 BDADRP C([C@@H]1CCCOC1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257741632 135141017 /nfs/dbraw/zinc/14/10/17/135141017.db2.gz YZNVDTSEKMVKHY-STQMWFEESA-N 2 0 224.348 1.098 20 0 BDADRP C(C1CCCC1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000257735213 135141161 /nfs/dbraw/zinc/14/11/61/135141161.db2.gz RODRMICJLYZYDT-CQSZACIVSA-N 2 0 237.391 1.156 20 0 BDADRP C[C@@H]1[C@H](c2ccccc2)CCN1CC[NH3+] ZINC000261531087 135158707 /nfs/dbraw/zinc/15/87/07/135158707.db2.gz FDNUJEZXVOEUGO-DGCLKSJQSA-N 2 0 204.317 1.823 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CCOC1 ZINC000261533028 135163887 /nfs/dbraw/zinc/16/38/87/135163887.db2.gz GBFSVJMTFUFPRU-AVGNSLFASA-N 2 0 226.364 1.520 20 0 BDADRP C[C@@H]1C[C@H](C[NH+]2C[C@H](C)O[C@@H](C)C2)CC[NH2+]1 ZINC000261533659 135164808 /nfs/dbraw/zinc/16/48/08/135164808.db2.gz JLKIDSWYXTVNJX-MROQNXINSA-N 2 0 226.364 1.484 20 0 BDADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC3CCCC3)C[C@H]12 ZINC000261533792 135166109 /nfs/dbraw/zinc/16/61/09/135166109.db2.gz LESRRZMLUOCCKF-RWMBFGLXSA-N 2 0 208.349 1.846 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCOCC(F)F ZINC000261534709 135167574 /nfs/dbraw/zinc/16/75/74/135167574.db2.gz SZGDAVAXPMSASG-VHSXEESVSA-N 2 0 236.306 1.375 20 0 BDADRP C[N@H+](C[C@@H]1CCSC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261534654 135167964 /nfs/dbraw/zinc/16/79/64/135167964.db2.gz SKYPPNSZABBOCH-ACJTYDJDSA-N 2 0 240.416 1.954 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CCCO1 ZINC000261535504 135169400 /nfs/dbraw/zinc/16/94/00/135169400.db2.gz ZXVGZWMAOHXBOF-CHWSQXEVSA-N 2 0 226.364 1.487 20 0 BDADRP CCC[N@H+](CC)CCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000261535424 135169447 /nfs/dbraw/zinc/16/94/47/135169447.db2.gz YMMNEKXDEXDPPE-QWHCGFSZSA-N 3 0 227.396 1.435 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCOC1 ZINC000087783202 135169796 /nfs/dbraw/zinc/16/97/96/135169796.db2.gz NHFLJCWWCBKOCQ-FRRDWIJNSA-N 2 0 226.364 1.676 20 0 BDADRP COCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000261536776 135172386 /nfs/dbraw/zinc/17/23/86/135172386.db2.gz SWLOTMUTYOIZHX-GHMZBOCLSA-N 2 0 214.353 1.519 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCSC[C@H]2C)CC[NH2+]1 ZINC000261536834 135173198 /nfs/dbraw/zinc/17/31/98/135173198.db2.gz TWUNLLMMFUVFAB-UTUOFQBUSA-N 2 0 228.405 1.812 20 0 BDADRP C[C@@]1(C[NH3+])CC[N@H+](C[C@H]2CCCOC2)C1 ZINC000261537407 135173857 /nfs/dbraw/zinc/17/38/57/135173857.db2.gz VMNIITUBYNURSD-NEPJUHHUSA-N 2 0 212.337 1.084 20 0 BDADRP COCC(C)(C)C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000261538041 135175801 /nfs/dbraw/zinc/17/58/01/135175801.db2.gz XFPKDULDMOARFQ-WDEREUQCSA-N 2 0 214.353 1.376 20 0 BDADRP CCOCC[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261538728 135176583 /nfs/dbraw/zinc/17/65/83/135176583.db2.gz ZCDDJQRWQUUQBB-VXGBXAGGSA-N 2 0 214.353 1.343 20 0 BDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H](N(C)C)C2)CC[NH2+]1 ZINC000261539699 135178637 /nfs/dbraw/zinc/17/86/37/135178637.db2.gz BCMKPXANTOKINI-RDBSUJKOSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@@H]1CSCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000261540851 135179742 /nfs/dbraw/zinc/17/97/42/135179742.db2.gz FJHVZNNDILCIFP-NSHDSACASA-N 2 0 228.405 1.671 20 0 BDADRP C[C@@H]1[C@@H]([NH3+])CCN1Cc1cccc(N)c1 ZINC000261540563 135180084 /nfs/dbraw/zinc/18/00/84/135180084.db2.gz FCRWUSUGJQEHPM-SKDRFNHKSA-N 2 0 205.305 1.190 20 0 BDADRP CO[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2C[NH3+])C1(C)C ZINC000261541296 135181170 /nfs/dbraw/zinc/18/11/70/135181170.db2.gz JOUPHPIVWJOOLU-MROQNXINSA-N 2 0 240.391 1.907 20 0 BDADRP C[NH+](C)[C@@H](CNCC(C)(C)[NH3+])c1ccccc1 ZINC000261543314 135184185 /nfs/dbraw/zinc/18/41/85/135184185.db2.gz CUPTWGABVVOCPO-ZDUSSCGKSA-N 2 0 235.375 1.616 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000084220976 135193327 /nfs/dbraw/zinc/19/33/27/135193327.db2.gz GOCIWWDFYQOGSE-STQMWFEESA-N 3 0 225.380 1.045 20 0 BDADRP CC(C)CCOCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000084221189 135193583 /nfs/dbraw/zinc/19/35/83/135193583.db2.gz DNFFLKNMIQHJKZ-OLZOCXBDSA-N 2 0 228.380 1.766 20 0 BDADRP C[C@](O)(C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)C1CC1 ZINC000261554410 135193777 /nfs/dbraw/zinc/19/37/77/135193777.db2.gz AXRJIFZGXVVSPN-ZNMIVQPWSA-N 2 0 246.354 1.882 20 0 BDADRP CC(C)(C)CC[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261561071 135201623 /nfs/dbraw/zinc/20/16/23/135201623.db2.gz UZWIDYZKDSDCHU-ZDUSSCGKSA-N 2 0 239.407 1.402 20 0 BDADRP CCCn1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cn1 ZINC000261564761 135206871 /nfs/dbraw/zinc/20/68/71/135206871.db2.gz HMELBCAFWBOORT-IHRRRGAJSA-N 2 0 248.374 1.462 20 0 BDADRP CCCn1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cn1 ZINC000261564762 135206973 /nfs/dbraw/zinc/20/69/73/135206973.db2.gz HMELBCAFWBOORT-MELADBBJSA-N 2 0 248.374 1.462 20 0 BDADRP CC(=O)Nc1ccc(CN2CC[C@H]([NH3+])[C@H]2C)cc1 ZINC000261576586 135217483 /nfs/dbraw/zinc/21/74/83/135217483.db2.gz NUNOKZFIXRSYIL-YGRLFVJLSA-N 2 0 247.342 1.567 20 0 BDADRP Cc1ccc(O)c(CN2CC[C@H]3[NH2+]CC[C@H]3C2)n1 ZINC000261576532 135217817 /nfs/dbraw/zinc/21/78/17/135217817.db2.gz NSFGAICTQJHRCZ-NWDGAFQWSA-N 2 0 247.342 1.279 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCc2ccccc2C1)[C@H](C)[NH3+] ZINC000261580249 135220882 /nfs/dbraw/zinc/22/08/82/135220882.db2.gz MUUSGEAJCXNHND-WDMOLILDSA-N 2 0 218.344 1.869 20 0 BDADRP COCC(C)(C)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000261583061 135224389 /nfs/dbraw/zinc/22/43/89/135224389.db2.gz OUYUDVFIAVSSJR-NEPJUHHUSA-N 2 0 228.380 1.766 20 0 BDADRP Cc1ncc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)s1 ZINC000261585502 135226727 /nfs/dbraw/zinc/22/67/27/135226727.db2.gz QMOCIELQQQDHRM-WCQGTBRESA-N 2 0 237.372 1.621 20 0 BDADRP C[C@H](O)C[C@@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261591161 135231944 /nfs/dbraw/zinc/23/19/44/135231944.db2.gz VCQZCABLUQSLFG-AVGNSLFASA-N 2 0 226.364 1.221 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000261593583 135233964 /nfs/dbraw/zinc/23/39/64/135233964.db2.gz WYHCBKHEUUYBEP-RYUDHWBXSA-N 2 0 226.364 1.533 20 0 BDADRP CC(C)[NH2+]C1CCN(CC(C)(C)[NH3+])CC1 ZINC000261596137 135235934 /nfs/dbraw/zinc/23/59/34/135235934.db2.gz YNRPYAZYUMSKMR-UHFFFAOYSA-N 2 0 213.369 1.186 20 0 BDADRP [NH3+]CC1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000261596874 135237195 /nfs/dbraw/zinc/23/71/95/135237195.db2.gz ZAJLTGRRTVMDRA-GFCCVEGCSA-N 2 0 212.337 1.084 20 0 BDADRP CC(C)[C@@H]1C[N@H+](CCOCC[NH3+])CCS1 ZINC000261598045 135237197 /nfs/dbraw/zinc/23/71/97/135237197.db2.gz ZJDCLIFSKNJQRW-NSHDSACASA-N 2 0 232.393 1.035 20 0 BDADRP [NH3+]CCN1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000261606028 135238003 /nfs/dbraw/zinc/23/80/03/135238003.db2.gz BFLLZDGBRWJZSG-LBPRGKRZSA-N 2 0 239.750 1.245 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000261546386 135238710 /nfs/dbraw/zinc/23/87/10/135238710.db2.gz KZVWCQQQRNJSFT-TUAOUCFPSA-N 2 0 212.337 1.082 20 0 BDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000261546568 135238768 /nfs/dbraw/zinc/23/87/68/135238768.db2.gz HAGOYBDCLXCZLJ-KWCYVHTRSA-N 2 0 234.318 1.995 20 0 BDADRP C[C@@H](C[N@H+](C)Cc1ccccc1)N[C@@H]1CC[NH2+]C1 ZINC000261547174 135240301 /nfs/dbraw/zinc/24/03/01/135240301.db2.gz LZCJRMHMIYKEGF-DZGCQCFKSA-N 2 0 247.386 1.458 20 0 BDADRP C[C@@H]1C[C@H]1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000261548145 135241855 /nfs/dbraw/zinc/24/18/55/135241855.db2.gz NEDOVMMMDWMHOA-NEPJUHHUSA-N 2 0 208.349 1.718 20 0 BDADRP C[C@@]1(C[NH+]2CCC(c3c[nH]cn3)CC2)CC[NH2+]C1 ZINC000261707521 135246865 /nfs/dbraw/zinc/24/68/65/135246865.db2.gz DDFKTHNJIUXXKU-CQSZACIVSA-N 2 0 248.374 1.589 20 0 BDADRP CC(C)[N@@H+]1CCCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261775064 135251901 /nfs/dbraw/zinc/25/19/01/135251901.db2.gz NDKWVNNTJATDJC-CQSZACIVSA-N 2 0 239.407 1.402 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000261779620 135252267 /nfs/dbraw/zinc/25/22/67/135252267.db2.gz BCNKGYJHOIEACT-NSHDSACASA-N 2 0 241.379 1.010 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261779613 135252503 /nfs/dbraw/zinc/25/25/03/135252503.db2.gz BCNKGYJHOIEACT-LLVKDONJSA-N 2 0 241.379 1.010 20 0 BDADRP COCC(C)(C)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000261782192 135252700 /nfs/dbraw/zinc/25/27/00/135252700.db2.gz FNBZGENQCBBIKH-VXGBXAGGSA-N 2 0 228.380 1.718 20 0 BDADRP C[NH2+]CCC1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261869287 135258219 /nfs/dbraw/zinc/25/82/19/135258219.db2.gz OJSMXPWYRKIITK-AWEZNQCLSA-N 3 0 239.407 1.308 20 0 BDADRP C[C@]1(C[N@H+](C[C@@H]2CCOC2)C2CC2)CC[NH2+]C1 ZINC000261871913 135258733 /nfs/dbraw/zinc/25/87/33/135258733.db2.gz OZWXSKINKUUBCX-JSGCOSHPSA-N 2 0 238.375 1.487 20 0 BDADRP C[NH2+]CCC1CC[NH+](Cc2cnc(C)cn2)CC1 ZINC000261970692 135267803 /nfs/dbraw/zinc/26/78/03/135267803.db2.gz CXZVGBOUJZMAJJ-UHFFFAOYSA-N 2 0 248.374 1.607 20 0 BDADRP C[C@H]1C[N@H+](CC2CC[NH2+]CC2)[C@@H](C)CN1C ZINC000261979640 135268936 /nfs/dbraw/zinc/26/89/36/135268936.db2.gz RDBKUZWYIAHCST-RYUDHWBXSA-N 2 0 225.380 1.010 20 0 BDADRP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)[C@H](C)CN1C ZINC000261979642 135269144 /nfs/dbraw/zinc/26/91/44/135269144.db2.gz RDBKUZWYIAHCST-VXGBXAGGSA-N 2 0 225.380 1.010 20 0 BDADRP C[N@H+](CC[C@@H]1CCOC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262007756 135272043 /nfs/dbraw/zinc/27/20/43/135272043.db2.gz USVVRGSEVFUSSU-HABKJSAYSA-N 2 0 238.375 1.628 20 0 BDADRP CCCC[N@H+](C)C[C@H](C)NCc1nccn1C ZINC000342426778 135273463 /nfs/dbraw/zinc/27/34/63/135273463.db2.gz XNIYYCUMNJNUBM-LBPRGKRZSA-N 2 0 238.379 1.630 20 0 BDADRP COC[C@@H]1CCCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262044701 135275668 /nfs/dbraw/zinc/27/56/68/135275668.db2.gz PPJNTWBATUJNHI-ZIAGYGMSSA-N 2 0 240.391 1.735 20 0 BDADRP COC[C@H]1CCCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262044699 135275931 /nfs/dbraw/zinc/27/59/31/135275931.db2.gz PPJNTWBATUJNHI-UONOGXRCSA-N 2 0 240.391 1.735 20 0 BDADRP C(C1CC[NH2+]CC1)[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000262289950 135290483 /nfs/dbraw/zinc/29/04/83/135290483.db2.gz VXBBHFHXIFRLMU-KBPBESRZSA-N 2 0 238.375 1.487 20 0 BDADRP C[C@@H]([NH3+])CN1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000262297476 135291623 /nfs/dbraw/zinc/29/16/23/135291623.db2.gz WWPUUXALLLTQBY-ZWNOBZJWSA-N 2 0 237.322 1.119 20 0 BDADRP C[C@@H](CCC(C)(C)C)[NH2+]C[C@]1(O)CCN(C)C1 ZINC000342598960 135300699 /nfs/dbraw/zinc/30/06/99/135300699.db2.gz QRLYMCPNOPCIDD-GXTWGEPZSA-N 2 0 242.407 1.857 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000262589641 135307296 /nfs/dbraw/zinc/30/72/96/135307296.db2.gz QNCJRQHLHDBQIS-WZRBSPASSA-N 2 0 241.379 1.090 20 0 BDADRP CCC1CC([NH2+][C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000342741116 135310236 /nfs/dbraw/zinc/31/02/36/135310236.db2.gz WQEYHKOTATWGKB-IYXRBSQSSA-N 2 0 239.407 1.401 20 0 BDADRP Cc1cnc(CN2CC[N@@H+]3CCCC[C@H]3C2)n1C ZINC000342773465 135327194 /nfs/dbraw/zinc/32/71/94/135327194.db2.gz CPRHPUMOQSIVKR-ZDUSSCGKSA-N 2 0 248.374 1.399 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000334277252 135333257 /nfs/dbraw/zinc/33/32/57/135333257.db2.gz SQSCNCVZYFUSFP-AAEUAGOBSA-N 2 0 225.380 1.045 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000334277255 135333802 /nfs/dbraw/zinc/33/38/02/135333802.db2.gz SQSCNCVZYFUSFP-YPMHNXCESA-N 2 0 225.380 1.045 20 0 BDADRP CCc1nocc1CN1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000334294745 135341360 /nfs/dbraw/zinc/34/13/60/135341360.db2.gz UTAQETTUHGQISZ-BXUZGUMPSA-N 2 0 249.358 1.763 20 0 BDADRP C[C@H]1CCC[C@@H](C[NH+]2CCC(O)(C[NH3+])CC2)C1 ZINC000335626571 135418846 /nfs/dbraw/zinc/41/88/46/135418846.db2.gz UKZAWRKUSRPLSP-QWHCGFSZSA-N 2 0 240.391 1.598 20 0 BDADRP c1[nH+]cn2cc(C[NH2+][C@H]3CCCOCC3)ccc12 ZINC000334597010 135763738 /nfs/dbraw/zinc/76/37/38/135763738.db2.gz NCDKLLFNHWCLDT-ZDUSSCGKSA-N 2 0 245.326 1.993 20 0 BDADRP CC[C@@H]1CC[C@@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000348107147 136036913 /nfs/dbraw/zinc/03/69/13/136036913.db2.gz VBFZRMPRCFBXGR-KGLIPLIRSA-N 2 0 239.407 1.402 20 0 BDADRP C[C@]1(CN2C[C@@H]([NH3+])Cc3ccccc32)CC[NH2+]C1 ZINC000335354883 136070949 /nfs/dbraw/zinc/07/09/49/136070949.db2.gz CAKGZTNOJUABRZ-ZFWWWQNUSA-N 2 0 245.370 1.376 20 0 BDADRP [NH3+][C@H]1Cc2ccccc2N(C[C@H]2CCC[NH2+]C2)C1 ZINC000335359237 136075431 /nfs/dbraw/zinc/07/54/31/136075431.db2.gz WFPQRIRUNYMZIA-JSGCOSHPSA-N 2 0 245.370 1.376 20 0 BDADRP [NH3+][C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000335388464 136089861 /nfs/dbraw/zinc/08/98/61/136089861.db2.gz VEQIYBLHOTVKPC-KLPPZKSPSA-N 2 0 245.326 1.008 20 0 BDADRP C[C@@H](C(N)=O)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000335393377 136091568 /nfs/dbraw/zinc/09/15/68/136091568.db2.gz BZHFNZVWVDQABE-ONGXEEELSA-N 2 0 225.336 1.232 20 0 BDADRP C[C@H](C(N)=O)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000335393376 136091848 /nfs/dbraw/zinc/09/18/48/136091848.db2.gz BZHFNZVWVDQABE-MWLCHTKSSA-N 2 0 225.336 1.232 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000335568338 136108116 /nfs/dbraw/zinc/10/81/16/136108116.db2.gz KCCSQLSVAIEJQQ-QWHCGFSZSA-N 3 0 239.407 1.354 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+](C[C@H]3CCCOC3)C2)C1 ZINC000335569729 136108585 /nfs/dbraw/zinc/10/85/85/136108585.db2.gz DAKKXWSPMIAGPM-KGLIPLIRSA-N 2 0 238.375 1.441 20 0 BDADRP [NH3+][C@@H]1Cc2ccccc2N(CC[C@@H]2CC[NH2+]C2)C1 ZINC000335599182 136113718 /nfs/dbraw/zinc/11/37/18/136113718.db2.gz OMYFBOBZFBHLFW-GXTWGEPZSA-N 2 0 245.370 1.376 20 0 BDADRP CC(C)[C@@H](CNC1=[NH+]CCCN1)[NH+]1CCCC1 ZINC000066245129 397909959 /nfs/dbraw/zinc/90/99/59/397909959.db2.gz OKFVNSRBXCIJSY-GFCCVEGCSA-N 2 0 238.379 1.046 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1C[C@H](F)CN1)C1CC[NH+](C)CC1 ZINC000643538081 397919891 /nfs/dbraw/zinc/91/98/91/397919891.db2.gz XWLZNCNMWXZOKP-DRZSPHRISA-N 2 0 243.370 1.006 20 0 BDADRP [NH3+][C@H]1C[C@@H](NC[C@@H]2C[C@H](F)C[NH2+]2)c2ccccc21 ZINC000643538212 397920350 /nfs/dbraw/zinc/92/03/50/397920350.db2.gz BOMSYCBCOSAPIN-TXFQPVFDSA-N 2 0 249.333 1.421 20 0 BDADRP [NH3+]C1(c2noc([C@H]3CC[C@@H](C4CC4)[NH2+]3)n2)CCC1 ZINC000650227693 397997397 /nfs/dbraw/zinc/99/73/97/397997397.db2.gz IWRWTXYLRHPAEZ-VHSXEESVSA-N 2 0 248.330 1.611 20 0 BDADRP C1C[NH2+][C@@H](c2noc([C@@H]3CCC[NH2+]CC3)n2)C1 ZINC000650227976 397997854 /nfs/dbraw/zinc/99/78/54/397997854.db2.gz PYEUHMCAEIAZAC-NXEZZACHSA-N 2 0 236.319 1.351 20 0 BDADRP C[C@H]1OCC[C@H]1[NH2+]CCC1CC[NH+](C)CC1 ZINC000121004895 398002140 /nfs/dbraw/zinc/00/21/40/398002140.db2.gz JRVZZUKGVHNUEP-DGCLKSJQSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@@H]1C[C@H](C[N@@H+]2CCN[C@H](C)[C@H]2C)CC[NH2+]1 ZINC000414659245 398008673 /nfs/dbraw/zinc/00/86/73/398008673.db2.gz KVMNBWHWMWJSFI-FDYHWXHSSA-N 2 0 225.380 1.057 20 0 BDADRP COc1ccc([C@H]2CC[N@H+](CCC[NH3+])C2)cc1 ZINC000414689761 398019825 /nfs/dbraw/zinc/01/98/25/398019825.db2.gz GVTYXRQFLGYHRV-ZDUSSCGKSA-N 2 0 234.343 1.833 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](C)O[C@@H]2C)[C@H](C)C1 ZINC000649700278 398048082 /nfs/dbraw/zinc/04/80/82/398048082.db2.gz DZEUWCRBPCAUSY-XHJNMGKDSA-N 2 0 240.391 1.872 20 0 BDADRP C[C@H]([NH3+])CC[NH2+]Cc1cccc2c[nH]nc21 ZINC000414818215 398043417 /nfs/dbraw/zinc/04/34/17/398043417.db2.gz DFGDUHITMMUOPR-VIFPVBQESA-N 2 0 218.304 1.390 20 0 BDADRP C[N@H+](CCOCC[NH3+])CC1(C)CCC1 ZINC000389269562 398065142 /nfs/dbraw/zinc/06/51/42/398065142.db2.gz LBAQBXMNBZFNPY-UHFFFAOYSA-N 2 0 200.326 1.084 20 0 BDADRP CC[C@H](C)C[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000093067193 398093972 /nfs/dbraw/zinc/09/39/72/398093972.db2.gz NCLZLLIODOGBKI-STQMWFEESA-N 2 0 227.396 1.258 20 0 BDADRP CC[C@H](C)C[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000093067191 398094122 /nfs/dbraw/zinc/09/41/22/398094122.db2.gz NCLZLLIODOGBKI-QWHCGFSZSA-N 2 0 227.396 1.258 20 0 BDADRP C[C@@H]1CSC[C@H]1[NH2+][C@@H]1CCN(CC2CC2)C1 ZINC000648449976 398051905 /nfs/dbraw/zinc/05/19/05/398051905.db2.gz DETJPSZVBJGESC-RAIGVLPGSA-N 2 0 240.416 1.812 20 0 BDADRP C[N@H+](CCOCc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000384000284 398055753 /nfs/dbraw/zinc/05/57/53/398055753.db2.gz DOHINBAZCHRISM-OAHLLOKOSA-N 2 0 248.370 1.745 20 0 BDADRP CCC[N@H+](CCc1cn[nH]c1)C1CC[NH2+]CC1 ZINC000384009061 398059295 /nfs/dbraw/zinc/05/92/95/398059295.db2.gz IISANEUSMNGKQU-UHFFFAOYSA-N 2 0 236.363 1.416 20 0 BDADRP CO[C@H](C[NH2+]CCCC[NH+](C)C)C1CC1 ZINC000400278171 398106953 /nfs/dbraw/zinc/10/69/53/398106953.db2.gz HKNIJIRZALWJKP-GFCCVEGCSA-N 2 0 214.353 1.343 20 0 BDADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2cnn(C)c2)C[C@@H]1C[NH3+] ZINC000397318433 398119655 /nfs/dbraw/zinc/11/96/55/398119655.db2.gz ADHFCUDVSYANCL-WZRBSPASSA-N 2 0 236.363 1.225 20 0 BDADRP C[C@H](c1cccc(Cl)c1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000062013642 398109933 /nfs/dbraw/zinc/10/99/33/398109933.db2.gz DXDRYDXWHVCDKM-BXKDBHETSA-N 2 0 242.750 1.652 20 0 BDADRP CC(C)[NH+]1CCC(NCC2([NH+](C)C)CC2)CC1 ZINC000397851101 398123735 /nfs/dbraw/zinc/12/37/35/398123735.db2.gz UPMWYQXECOFMHQ-UHFFFAOYSA-N 2 0 239.407 1.543 20 0 BDADRP COCC[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000070131018 398126388 /nfs/dbraw/zinc/12/63/88/398126388.db2.gz MYVNAFUMUSFOQQ-UHFFFAOYSA-N 2 0 222.332 1.484 20 0 BDADRP COC[C@]1(C[NH2+]CC(C)C)CCC[NH2+]1 ZINC000414948251 398122151 /nfs/dbraw/zinc/12/21/51/398122151.db2.gz WXCKUMXURBXFDE-LLVKDONJSA-N 2 0 200.326 1.001 20 0 BDADRP CC(C)C[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000053660746 167003130 /nfs/dbraw/zinc/00/31/30/167003130.db2.gz DZPNZBBUCPCTMA-UHFFFAOYSA-N 2 0 241.423 1.506 20 0 BDADRP COc1ccc(C[NH2+]C[C@H](C)C[NH3+])cc1F ZINC000258713442 322875031 /nfs/dbraw/zinc/87/50/31/322875031.db2.gz ICFPKWMCDHVREI-SECBINFHSA-N 2 0 226.295 1.519 20 0 BDADRP CC(C)[N@H+](C)CCN[C@H]1CCCn2ccnc21 ZINC000655704842 487565287 /nfs/dbraw/zinc/56/52/87/487565287.db2.gz MZHSPABLJZZFRQ-LBPRGKRZSA-N 2 0 236.363 1.648 20 0 BDADRP C[C@H]1CN(CCC[NH3+])c2cc(F)ccc2C[NH2+]1 ZINC000334841488 487567292 /nfs/dbraw/zinc/56/72/92/487567292.db2.gz NQPGWXPYZBOKCO-JTQLQIEISA-N 2 0 237.322 1.473 20 0 BDADRP C[C@H](CCCCO)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000666172097 487572010 /nfs/dbraw/zinc/57/20/10/487572010.db2.gz ALVOURHWLWVCEM-ZIAGYGMSSA-N 2 0 242.407 1.859 20 0 BDADRP C[C@H]([NH2+]CC1(CO)CCC1)C1CC[NH+](C)CC1 ZINC000680354689 487572961 /nfs/dbraw/zinc/57/29/61/487572961.db2.gz IZDTVGAWKGHFTB-LBPRGKRZSA-N 2 0 240.391 1.469 20 0 BDADRP CC(C)(C)C[C@H](CO)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000393518706 487575056 /nfs/dbraw/zinc/57/50/56/487575056.db2.gz MSKMQPKTPYNRPO-QJPTWQEYSA-N 2 0 228.380 1.643 20 0 BDADRP CC(C)OCCC[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000309420015 167215596 /nfs/dbraw/zinc/21/55/96/167215596.db2.gz JTCCATGKWTULIJ-NWDGAFQWSA-N 2 0 214.353 1.471 20 0 BDADRP C[C@H]1CN(CCC[NH3+])c2ccccc2C[NH2+]1 ZINC000334882586 487579661 /nfs/dbraw/zinc/57/96/61/487579661.db2.gz PRZVNKCHKNLCEL-NSHDSACASA-N 2 0 219.332 1.334 20 0 BDADRP CC(C)OCC[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339432676 167234387 /nfs/dbraw/zinc/23/43/87/167234387.db2.gz KCSUTXPIXUMIFH-CQSZACIVSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H]2CCCC[C@H]2O)C1 ZINC000383099286 487587007 /nfs/dbraw/zinc/58/70/07/487587007.db2.gz ZOELDUUMQACSGO-RFQIPJPRSA-N 2 0 240.391 1.597 20 0 BDADRP CC(C)OC[C@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000336762686 167265137 /nfs/dbraw/zinc/26/51/37/167265137.db2.gz OJPCDFIMYWYVBH-NEPJUHHUSA-N 2 0 216.369 1.730 20 0 BDADRP CCc1nocc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000662265859 409564941 /nfs/dbraw/zinc/56/49/41/409564941.db2.gz JGGAWVQUMNDPHF-DRZSPHRISA-N 2 0 249.358 1.796 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@H](C[NH3+])C1)C1CCC1 ZINC000662246067 409542130 /nfs/dbraw/zinc/54/21/30/409542130.db2.gz NSKKGOYRBFAHJM-ZYHUDNBSSA-N 2 0 212.337 1.082 20 0 BDADRP CC[C@H]1CCCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249661 409548313 /nfs/dbraw/zinc/54/83/13/409548313.db2.gz RQUZQZVPCSJBKC-STQMWFEESA-N 2 0 238.375 1.772 20 0 BDADRP CC[C@@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662251672 409548430 /nfs/dbraw/zinc/54/84/30/409548430.db2.gz DGVMTWQGCAXHSW-VXGBXAGGSA-N 2 0 224.348 1.382 20 0 BDADRP CC[C@@H]([NH2+]C)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000662422108 409706100 /nfs/dbraw/zinc/70/61/00/409706100.db2.gz NCJUIUGYCWSAER-JOYOIKCWSA-N 2 0 235.331 1.643 20 0 BDADRP CC[C@H]([NH2+]C)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000662425660 409708810 /nfs/dbraw/zinc/70/88/10/409708810.db2.gz GOIRDOLNOUNVDN-GWCFXTLKSA-N 2 0 249.358 1.321 20 0 BDADRP Cc1nccn1CC[N@@H+]1CC2CC1(C)C2 ZINC000662385219 409690460 /nfs/dbraw/zinc/69/04/60/409690460.db2.gz OBBUDIMJBSJTRG-UHFFFAOYSA-N 2 0 205.305 1.676 20 0 BDADRP COC[C@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000131872951 409742536 /nfs/dbraw/zinc/74/25/36/409742536.db2.gz LHUHHPNTDAVJJS-NSHDSACASA-N 2 0 226.364 1.485 20 0 BDADRP CC[NH2+][C@H](C)CNC(=O)c1cccc2c1C[NH2+]C2 ZINC000662558927 409758355 /nfs/dbraw/zinc/75/83/55/409758355.db2.gz MJWYFUBQJLGTHD-SNVBAGLBSA-N 2 0 247.342 1.018 20 0 BDADRP C[C@@H](CCNC(=O)[C@H]([NH3+])c1ccccc1)[NH+](C)C ZINC000662636590 409807251 /nfs/dbraw/zinc/80/72/51/409807251.db2.gz ZJOVPYZLIYMBBH-WCQYABFASA-N 2 0 249.358 1.143 20 0 BDADRP C(CC1CC[NH2+]CC1)C[N@@H+]1CCCOCC1 ZINC000061934927 409983895 /nfs/dbraw/zinc/98/38/95/409983895.db2.gz XWKMAOILMVVKPS-UHFFFAOYSA-N 2 0 226.364 1.489 20 0 BDADRP [NH3+]Cc1ccc(CNC2CC[NH2+]CC2)c(F)c1 ZINC000650717074 410355056 /nfs/dbraw/zinc/35/50/56/410355056.db2.gz RBVAEXVUUDHANP-UHFFFAOYSA-N 2 0 237.322 1.126 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)NCCC1CC[NH2+]CC1 ZINC000653268646 410322685 /nfs/dbraw/zinc/32/26/85/410322685.db2.gz YAFPFZKGPMMHKS-ZDUSSCGKSA-N 2 0 241.379 1.010 20 0 BDADRP C[NH2+]CCC[NH2+]Cc1cccc2c1CCC2 ZINC000650703455 410332976 /nfs/dbraw/zinc/33/29/76/410332976.db2.gz AIIFUBQKBQCLAA-UHFFFAOYSA-N 2 0 218.344 1.874 20 0 BDADRP C[C@H]1C[C@H]1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709774 410338979 /nfs/dbraw/zinc/33/89/79/410338979.db2.gz PYNIRNBBBGPSTE-CYDGBPFRSA-N 2 0 208.349 1.703 20 0 BDADRP [NH3+]CC1(CC[NH2+]Cc2ccccc2)CC1 ZINC000650711817 410342373 /nfs/dbraw/zinc/34/23/73/410342373.db2.gz FLSBDWYVDVOILY-UHFFFAOYSA-N 2 0 204.317 1.905 20 0 BDADRP COc1ccsc1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650712678 410342728 /nfs/dbraw/zinc/34/27/28/410342728.db2.gz OWTFFKRHDUYKQB-UHFFFAOYSA-N 2 0 240.372 1.975 20 0 BDADRP [NH3+]CC1(CC[NH2+]Cc2cccc3c2OCO3)CC1 ZINC000650711811 410342865 /nfs/dbraw/zinc/34/28/65/410342865.db2.gz FEEHEFKMHGJAJC-UHFFFAOYSA-N 2 0 248.326 1.634 20 0 BDADRP c1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)CN2 ZINC000650715174 410349893 /nfs/dbraw/zinc/34/98/93/410349893.db2.gz SLZQPIDISWNZEP-ZIAGYGMSSA-N 2 0 245.370 1.755 20 0 BDADRP CC(C)C[C@@H]([NH3+])C[NH2+][C@H]1CNc2ccccc2C1 ZINC000650715331 410352058 /nfs/dbraw/zinc/35/20/58/410352058.db2.gz YNJBZXPIHXYQPG-ZIAGYGMSSA-N 2 0 247.386 1.986 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+]CC1CC[NH2+]CC1 ZINC000650719484 410357892 /nfs/dbraw/zinc/35/78/92/410357892.db2.gz RIKPQEAEPFHUPV-UHFFFAOYSA-N 3 0 247.386 1.495 20 0 BDADRP [NH3+]CCC[NH2+]CC[C@H]1CCc2ccccc2N1 ZINC000650721171 410358368 /nfs/dbraw/zinc/35/83/68/410358368.db2.gz TVQUGPBZDYYTJF-CYBMUJFWSA-N 2 0 233.359 1.742 20 0 BDADRP C[NH2+]Cc1ccccc1CN[C@H]1CCC[NH2+]C1 ZINC000650720643 410359348 /nfs/dbraw/zinc/35/93/48/410359348.db2.gz XAKDKUVCZAGJIG-AWEZNQCLSA-N 3 0 233.359 1.248 20 0 BDADRP C[C@@]1(C[N@@H+]2CC[C@]3(CC3(F)F)C2)CC[NH2+]C1 ZINC000650724923 410359975 /nfs/dbraw/zinc/35/99/75/410359975.db2.gz OZEPVQWFUSATCC-MNOVXSKESA-N 2 0 230.302 1.717 20 0 BDADRP c1ccc2c(c1)CC[C@@H](CCN[C@H]1CC[NH2+]C1)N2 ZINC000650720819 410360464 /nfs/dbraw/zinc/36/04/64/410360464.db2.gz BZESCPSUOVUUAJ-KBPBESRZSA-N 2 0 245.370 1.755 20 0 BDADRP C[C@]1(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)CC[NH2+]C1 ZINC000650724925 410361535 /nfs/dbraw/zinc/36/15/35/410361535.db2.gz OZEPVQWFUSATCC-WDEREUQCSA-N 2 0 230.302 1.717 20 0 BDADRP CC(C)C[N@H+](C)CCCN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000650739960 410371779 /nfs/dbraw/zinc/37/17/79/410371779.db2.gz CQNXRJFCWNLSTL-KBPBESRZSA-N 2 0 241.423 1.694 20 0 BDADRP CC(C)C[N@H+](C)CCCN[C@H]1CCC[C@@H]1[NH3+] ZINC000650740775 410374328 /nfs/dbraw/zinc/37/43/28/410374328.db2.gz QRJQBXMFJHUZMY-STQMWFEESA-N 2 0 227.396 1.434 20 0 BDADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1cnn(C)c1 ZINC000650744346 410380500 /nfs/dbraw/zinc/38/05/00/410380500.db2.gz MCHNHMWKYMKCBD-SNVBAGLBSA-N 2 0 222.336 1.200 20 0 BDADRP CCn1cc([C@@H](C)[NH2+]CCC2(C[NH3+])CC2)cn1 ZINC000650743858 410380576 /nfs/dbraw/zinc/38/05/76/410380576.db2.gz AOLHXMXWNXYBOS-LLVKDONJSA-N 2 0 236.363 1.683 20 0 BDADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)[C@H]1CCOC1 ZINC000650744417 410380959 /nfs/dbraw/zinc/38/09/59/410380959.db2.gz NMNSPFMAZMNFIZ-MNOVXSKESA-N 2 0 212.337 1.130 20 0 BDADRP [NH3+]CC1(CC[NH2+]C(C2CC2)C2CC2)CC1 ZINC000650745589 410382408 /nfs/dbraw/zinc/38/24/08/410382408.db2.gz JYKHTLUSBNNABM-UHFFFAOYSA-N 2 0 208.349 1.894 20 0 BDADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1nccs1 ZINC000650745325 410383177 /nfs/dbraw/zinc/38/31/77/410383177.db2.gz DKZCHJMRSFQKKW-SECBINFHSA-N 2 0 225.361 1.923 20 0 BDADRP CO[C@H]1CCC[C@H]([NH2+]CCC2(C[NH3+])CC2)C1 ZINC000650747301 410388888 /nfs/dbraw/zinc/38/88/88/410388888.db2.gz WUQKDSUMQDFRAK-RYUDHWBXSA-N 2 0 226.364 1.663 20 0 BDADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000650755560 410402714 /nfs/dbraw/zinc/40/27/14/410402714.db2.gz HPGFZMHESKPZSJ-VXGBXAGGSA-N 3 0 235.375 1.621 20 0 BDADRP C[NH2+]Cc1ccccc1CN[C@H]1CCC[C@H]1[NH3+] ZINC000650756299 410403126 /nfs/dbraw/zinc/40/31/26/410403126.db2.gz YXKJWQCAYLSNFA-KGLIPLIRSA-N 2 0 233.359 1.375 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)COCC1CC1 ZINC000650760675 410406697 /nfs/dbraw/zinc/40/66/97/410406697.db2.gz JYMNGFLCYGTJSO-NEPJUHHUSA-N 2 0 228.380 1.909 20 0 BDADRP CO[C@@H]1CCC[C@@H]([NH2+]CCC2CC[NH2+]CC2)C1 ZINC000650762317 410411281 /nfs/dbraw/zinc/41/12/81/410411281.db2.gz ZWEDHPGSCZJHCJ-ZIAGYGMSSA-N 2 0 240.391 1.923 20 0 BDADRP COCCC[C@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650763484 410414573 /nfs/dbraw/zinc/41/45/73/410414573.db2.gz BEQDVFPMSVYSMV-LBPRGKRZSA-N 2 0 228.380 1.781 20 0 BDADRP CN(CC[NH+]1CCCCC1)C(=O)CCCC[NH3+] ZINC000653274903 410555472 /nfs/dbraw/zinc/55/54/72/410555472.db2.gz RSZDSXSITQVKPG-UHFFFAOYSA-N 2 0 241.379 1.060 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@](C)(CC)C1 ZINC000309276213 410701377 /nfs/dbraw/zinc/70/13/77/410701377.db2.gz SCNOLNNIWDFORI-CHWSQXEVSA-N 2 0 228.380 1.421 20 0 BDADRP C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCC[C@H]([NH3+])C2)O1 ZINC000665265109 410736926 /nfs/dbraw/zinc/73/69/26/410736926.db2.gz PHTPUKKFJWYFOA-MROQNXINSA-N 2 0 226.364 1.804 20 0 BDADRP Cc1cncc(CC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])n1 ZINC000665274074 410742489 /nfs/dbraw/zinc/74/24/89/410742489.db2.gz JHADMQWUSDVKTB-GXTWGEPZSA-N 2 0 248.374 1.435 20 0 BDADRP CC(C)CCC[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000338439188 166814158 /nfs/dbraw/zinc/81/41/58/166814158.db2.gz VBIMWPPOTHVKQP-UHFFFAOYSA-N 2 0 242.407 1.859 20 0 BDADRP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@H](C)[NH3+] ZINC000037812232 169776627 /nfs/dbraw/zinc/77/66/27/169776627.db2.gz SKIPJFYDDCIZON-LBPRGKRZSA-N 2 0 243.395 1.160 20 0 BDADRP CC(C)OCCC[N@H+](C)C1CC[NH2+]CC1 ZINC000336683501 167208048 /nfs/dbraw/zinc/20/80/48/167208048.db2.gz QPRNZAUBUCYYCV-UHFFFAOYSA-N 2 0 214.353 1.485 20 0 BDADRP CC(C)OCCC[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000300915304 167226329 /nfs/dbraw/zinc/22/63/29/167226329.db2.gz XYPPYOPJCLCCIJ-LBPRGKRZSA-N 2 0 228.380 1.779 20 0 BDADRP CC(C)OCC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000370696376 167230578 /nfs/dbraw/zinc/23/05/78/167230578.db2.gz GDDSQZYAOCKWGY-CYBMUJFWSA-N 2 0 228.380 1.828 20 0 BDADRP CC(C)OCC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000128144222 167246348 /nfs/dbraw/zinc/24/63/48/167246348.db2.gz QKNWLXXHBUJCKX-RYUDHWBXSA-N 2 0 214.353 1.484 20 0 BDADRP CC(C)[C@@H](C)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000053382958 167380159 /nfs/dbraw/zinc/38/01/59/167380159.db2.gz VIRGZRRQRDRIKC-CYBMUJFWSA-N 2 0 241.423 1.647 20 0 BDADRP CC(C)[C@@H](C[NH2+][C@H](C)CCC[NH3+])N1CCCC1 ZINC000310349928 167399522 /nfs/dbraw/zinc/39/95/22/167399522.db2.gz GVZMQFJWDZTELR-ZIAGYGMSSA-N 2 0 241.423 1.824 20 0 BDADRP CCCN(CC[NH+](C)C)C(=O)C1([NH3+])CCCC1 ZINC000041680274 410933269 /nfs/dbraw/zinc/93/32/69/410933269.db2.gz QNYAADUKAGXDMI-UHFFFAOYSA-N 2 0 241.379 1.058 20 0 BDADRP CC[NH+](CC)[C@@H](C(=O)NCC[NH3+])c1ccccc1 ZINC000237040529 169794895 /nfs/dbraw/zinc/79/48/95/169794895.db2.gz AUNJRAZYISMCCQ-CYBMUJFWSA-N 2 0 249.358 1.144 20 0 BDADRP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)C[C@@H](C)C1O ZINC000661620993 411070818 /nfs/dbraw/zinc/07/08/18/411070818.db2.gz CADKCMKRECINNT-UPJWGTAASA-N 2 0 240.391 1.419 20 0 BDADRP CC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000400925879 411163024 /nfs/dbraw/zinc/16/30/24/411163024.db2.gz MECXNMYHYMIXFF-SDDRHHMPSA-N 2 0 208.349 1.764 20 0 BDADRP CC(C)C[C@@H](C)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000302458719 411137642 /nfs/dbraw/zinc/13/76/42/411137642.db2.gz YFQRJSFOUZGDRV-CQSZACIVSA-N 2 0 241.423 1.506 20 0 BDADRP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CCC1 ZINC000400928561 411163563 /nfs/dbraw/zinc/16/35/63/411163563.db2.gz NFHONUCLEOBBCJ-FRRDWIJNSA-N 2 0 208.349 1.764 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400919760 411163746 /nfs/dbraw/zinc/16/37/46/411163746.db2.gz IVWGAYDEDPPSQQ-RXGFPQBGSA-N 2 0 208.349 1.620 20 0 BDADRP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CCOC[C@@H]1C ZINC000651865781 411148018 /nfs/dbraw/zinc/14/80/18/411148018.db2.gz HMZWRVZMIUVIKS-KBPBESRZSA-N 2 0 242.407 1.979 20 0 BDADRP C[C@@H](O)C[N@H+](CCC1CC[NH2+]CC1)C1CC1 ZINC000655949020 411161250 /nfs/dbraw/zinc/16/12/50/411161250.db2.gz KGZMYIYVMWDLTQ-LLVKDONJSA-N 2 0 226.364 1.221 20 0 BDADRP Cc1nccn1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401000723 411168690 /nfs/dbraw/zinc/16/86/90/411168690.db2.gz BEHQWUQEHKNBFF-HZSPNIEDSA-N 2 0 248.374 1.169 20 0 BDADRP Cc1nccn1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401000730 411168699 /nfs/dbraw/zinc/16/86/99/411168699.db2.gz BEHQWUQEHKNBFF-MGPQQGTHSA-N 2 0 248.374 1.169 20 0 BDADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCCn3nccc32)CC1 ZINC000657938987 411174074 /nfs/dbraw/zinc/17/40/74/411174074.db2.gz SJXZGIJYAJNQBC-ZDUSSCGKSA-N 2 0 246.358 1.570 20 0 BDADRP CC1(C[NH2+]C[C@H](O)C[NH+]2CCCC2)CCCC1 ZINC000111621041 411175436 /nfs/dbraw/zinc/17/54/36/411175436.db2.gz NYGOUJADBASBCB-ZDUSSCGKSA-N 2 0 240.391 1.613 20 0 BDADRP OCC1(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000401085873 411176468 /nfs/dbraw/zinc/17/64/68/411176468.db2.gz REIBJXFYUFKPSA-FRRDWIJNSA-N 2 0 238.375 1.127 20 0 BDADRP C[C@]1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCOC1 ZINC000401153463 411178066 /nfs/dbraw/zinc/17/80/66/411178066.db2.gz QFJFFWQJASLSEX-IGQOVBAYSA-N 2 0 238.375 1.391 20 0 BDADRP FCCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401152630 411178104 /nfs/dbraw/zinc/17/81/04/411178104.db2.gz QBUDOPQDJNTQCN-GRYCIOLGSA-N 2 0 214.328 1.714 20 0 BDADRP FC(F)OCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401161772 411179188 /nfs/dbraw/zinc/17/91/88/411179188.db2.gz TVEADIGNFPOPSX-GMTAPVOTSA-N 2 0 248.317 1.593 20 0 BDADRP FC(F)OCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401161768 411179218 /nfs/dbraw/zinc/17/92/18/411179218.db2.gz TVEADIGNFPOPSX-GARJFASQSA-N 2 0 248.317 1.593 20 0 BDADRP OC1(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000401174809 411179575 /nfs/dbraw/zinc/17/95/75/411179575.db2.gz YFESKMFWDPASFD-YNEHKIRRSA-N 2 0 238.375 1.269 20 0 BDADRP C[C@H]1CC[C@@H]([NH2+]CCOCC[NH+](C)C)CS1 ZINC000655757573 411189220 /nfs/dbraw/zinc/18/92/20/411189220.db2.gz JDYQIVASUCLTBL-NWDGAFQWSA-N 2 0 246.420 1.438 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+][C@H](CO)CCF)[C@H]2CCC[C@@H]21 ZINC000652301700 411193181 /nfs/dbraw/zinc/19/31/81/411193181.db2.gz FRVBNJSHFNAFMP-RNJOBUHISA-N 2 0 244.354 1.169 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCC2(CO)CCC2)CC[N@@H+]1C ZINC000652311606 411197847 /nfs/dbraw/zinc/19/78/47/411197847.db2.gz RNQYFZKZTWAQAT-QWHCGFSZSA-N 2 0 240.391 1.611 20 0 BDADRP COC1([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)CCC1 ZINC000658018235 411198417 /nfs/dbraw/zinc/19/84/17/411198417.db2.gz PLLRCOGCXLWURJ-RYUDHWBXSA-N 2 0 228.380 1.731 20 0 BDADRP C[C@H](Cc1ccccn1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000656193909 411199220 /nfs/dbraw/zinc/19/92/20/411199220.db2.gz YGGPNMFYWXXPOK-CHWSQXEVSA-N 2 0 233.359 1.744 20 0 BDADRP CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000656199856 411204771 /nfs/dbraw/zinc/20/47/71/411204771.db2.gz AJUDAMUXWWYKJY-KKOKHZNYSA-N 2 0 212.337 1.413 20 0 BDADRP COCC[NH2+]C1CC[NH+]([C@@H](C)CCOC)CC1 ZINC000652344820 411208230 /nfs/dbraw/zinc/20/82/30/411208230.db2.gz AYLYOIDBFPCMKL-LBPRGKRZSA-N 2 0 244.379 1.112 20 0 BDADRP C[N@H+](CCOC(C)(C)C)CC[C@@H]1CC[NH2+]C1 ZINC000652343686 411208267 /nfs/dbraw/zinc/20/82/67/411208267.db2.gz FPWGGPRJADIGHW-LBPRGKRZSA-N 2 0 228.380 1.733 20 0 BDADRP CCC[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652345367 411208984 /nfs/dbraw/zinc/20/89/84/411208984.db2.gz ANFGABXSIWROHG-RWMBFGLXSA-N 2 0 226.364 1.615 20 0 BDADRP C[C@H]1CCC[N@H+](Cc2ccnc(N)c2)[C@@H]1CC[NH3+] ZINC000652355990 411215317 /nfs/dbraw/zinc/21/53/17/411215317.db2.gz ORGBXZSNNQZVMK-WCQYABFASA-N 2 0 248.374 1.443 20 0 BDADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCCC1(C)C ZINC000310327200 411233539 /nfs/dbraw/zinc/23/35/39/411233539.db2.gz AXFUIGJJKZFBHF-OLZOCXBDSA-N 2 0 242.407 1.856 20 0 BDADRP CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423173684 411236113 /nfs/dbraw/zinc/23/61/13/411236113.db2.gz ZRWBRBADOTYIKG-ZDCRXTMVSA-N 2 0 200.326 1.269 20 0 BDADRP COCC[C@H](C)[NH2+][C@H]1CCN(C(C)(C)C)C1 ZINC000658091410 411241824 /nfs/dbraw/zinc/24/18/24/411241824.db2.gz MFSNAEKGJLRZHL-RYUDHWBXSA-N 2 0 228.380 1.874 20 0 BDADRP O[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CCC1 ZINC000400909981 411165612 /nfs/dbraw/zinc/16/56/12/411165612.db2.gz DZMSHMCSFJJKOI-IGQOVBAYSA-N 2 0 238.375 1.125 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCOC1 ZINC000400969189 411166518 /nfs/dbraw/zinc/16/65/18/411166518.db2.gz LXJOZZMODXCWRV-ZUWCUPBKSA-N 2 0 238.375 1.389 20 0 BDADRP C(CC1CC1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400951448 411166738 /nfs/dbraw/zinc/16/67/38/411166738.db2.gz WXQFUBFSRPKSRY-YNEHKIRRSA-N 2 0 208.349 1.764 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400958989 411166769 /nfs/dbraw/zinc/16/67/69/411166769.db2.gz KLZBTGLBYUJWHD-RFQIPJPRSA-N 2 0 240.391 1.373 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCO1 ZINC000400975327 411167070 /nfs/dbraw/zinc/16/70/70/411167070.db2.gz OVVXPBDAGDYMFW-RKQHYHRCSA-N 2 0 238.375 1.532 20 0 BDADRP CCC[C@H]([NH3+])c1cn(C2CC[NH2+]CC2)nn1 ZINC000656457168 411266878 /nfs/dbraw/zinc/26/68/78/411266878.db2.gz QPTAGMNLWXTXGW-JTQLQIEISA-N 2 0 223.324 1.003 20 0 BDADRP CC[N@H+](C[C@H]1CC[NH2+]C1)[C@H]1CCCOC1 ZINC000402606140 411272830 /nfs/dbraw/zinc/27/28/30/411272830.db2.gz ULYMXMXAHZFFPI-RYUDHWBXSA-N 2 0 212.337 1.097 20 0 BDADRP C[C@@H]([NH2+][C@H](C)C1(CO)CC1)C1CC[NH+](C)CC1 ZINC000658159798 411273194 /nfs/dbraw/zinc/27/31/94/411273194.db2.gz KWMFKRNNOOXEOG-VXGBXAGGSA-N 2 0 240.391 1.467 20 0 BDADRP CC[N@H+](CC[C@@H]1CC[NH2+]C1)[C@H]1CCCOC1 ZINC000402615148 411278960 /nfs/dbraw/zinc/27/89/60/411278960.db2.gz RELBGGXPHCCDBX-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP c1c(C[NH2+]C2CCCC2)nnn1[C@@H]1CCC[NH2+]C1 ZINC000656468109 411279516 /nfs/dbraw/zinc/27/95/16/411279516.db2.gz UKMBISLHURVLSJ-CYBMUJFWSA-N 2 0 249.362 1.235 20 0 BDADRP CCC[NH2+]CC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000643515251 411285360 /nfs/dbraw/zinc/28/53/60/411285360.db2.gz SWKCWYPBSUXJCE-GFCCVEGCSA-N 3 0 227.396 1.306 20 0 BDADRP CCO[C@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000051919266 411286526 /nfs/dbraw/zinc/28/65/26/411286526.db2.gz SRBCDBYEKNDQBF-KBPBESRZSA-N 2 0 240.391 1.877 20 0 BDADRP C[NH+](C)C1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000162508100 411298225 /nfs/dbraw/zinc/29/82/25/411298225.db2.gz KSNSISYCSUFLJW-CQSZACIVSA-N 3 0 239.407 1.497 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@H]1CCCn2ccnc21 ZINC000655702921 411253332 /nfs/dbraw/zinc/25/33/32/411253332.db2.gz GJPIMQGZJVHVCH-LBPRGKRZSA-N 2 0 236.363 1.649 20 0 BDADRP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000656791754 411373001 /nfs/dbraw/zinc/37/30/01/411373001.db2.gz JLLXGYOPYRHAKJ-RWMBFGLXSA-N 2 0 226.364 1.328 20 0 BDADRP Nc1cccc(C[NH2+]C2CCC(C[NH3+])CC2)c1 ZINC000656785847 411364196 /nfs/dbraw/zinc/36/41/96/411364196.db2.gz RPMSZGGYCKCQGZ-UHFFFAOYSA-N 2 0 233.359 1.876 20 0 BDADRP CCC[NH2+]CCNCc1ccc2c(c1)C[NH2+]CC2 ZINC000656787483 411365950 /nfs/dbraw/zinc/36/59/50/411365950.db2.gz ZGKOSPOWIUWUJV-UHFFFAOYSA-N 2 0 247.386 1.422 20 0 BDADRP [NH3+]CCC[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656787326 411366337 /nfs/dbraw/zinc/36/63/37/411366337.db2.gz XMGZZZXFFDKCOP-CYBMUJFWSA-N 3 0 225.380 1.047 20 0 BDADRP CCC[NH+]1CCC(NCC2([NH3+])CCCC2)CC1 ZINC000656789458 411369305 /nfs/dbraw/zinc/36/93/05/411369305.db2.gz OFWXJPYMYILYPM-UHFFFAOYSA-N 2 0 239.407 1.722 20 0 BDADRP CC[N@H+](C)C[C@H](O)C[NH2+]CCCC1CCC1 ZINC000656710361 411336369 /nfs/dbraw/zinc/33/63/69/411336369.db2.gz JAJCALGBNCMXQB-CYBMUJFWSA-N 2 0 228.380 1.469 20 0 BDADRP C([C@@H]1C[C@H]2C[C@H]2C1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000659850429 411342329 /nfs/dbraw/zinc/34/23/29/411342329.db2.gz PMSINIXMUVPRIY-NZEXEKPDSA-N 2 0 206.333 1.184 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403419369 411344630 /nfs/dbraw/zinc/34/46/30/411344630.db2.gz VXWCZTYPKSBWPM-LPWJVIDDSA-N 2 0 226.364 1.519 20 0 BDADRP CC1(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)COC1 ZINC000336689750 168026961 /nfs/dbraw/zinc/02/69/61/168026961.db2.gz HUXRKNRDEUDFDW-ZDUSSCGKSA-N 2 0 238.375 1.441 20 0 BDADRP Cc1c[nH]c(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000657312632 411460782 /nfs/dbraw/zinc/46/07/82/411460782.db2.gz BNWJDBTWGHHFNT-VXGBXAGGSA-N 2 0 234.347 1.435 20 0 BDADRP CC[C@H]1C[C@H]([NH2+]CCC[N@H+](C)CCOC)CO1 ZINC000657308055 411460910 /nfs/dbraw/zinc/46/09/10/411460910.db2.gz LUDYLLYRULUBLR-STQMWFEESA-N 2 0 244.379 1.112 20 0 BDADRP CC(C)O[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000404625107 411402812 /nfs/dbraw/zinc/40/28/12/411402812.db2.gz CDXAXNSWQYPPMP-QWHCGFSZSA-N 2 0 226.364 1.485 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653055123 411407250 /nfs/dbraw/zinc/40/72/50/411407250.db2.gz OWBADBWRUXZEJY-NWDGAFQWSA-N 2 0 241.379 1.010 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653055122 411407255 /nfs/dbraw/zinc/40/72/55/411407255.db2.gz OWBADBWRUXZEJY-NEPJUHHUSA-N 2 0 241.379 1.010 20 0 BDADRP CC[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)CCO1 ZINC000070360447 411408760 /nfs/dbraw/zinc/40/87/60/411408760.db2.gz IPTAOJNTTAHVEF-KBPBESRZSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000647880308 411412346 /nfs/dbraw/zinc/41/23/46/411412346.db2.gz FCAVLJDYELXGIQ-UKRRQHHQSA-N 2 0 248.370 1.479 20 0 BDADRP CC[C@H]1C[C@H]([NH2+]CCC[NH+](C)C)CO1 ZINC000657287740 411446583 /nfs/dbraw/zinc/44/65/83/411446583.db2.gz ULFCVOJICMKKPX-QWRGUYRKSA-N 2 0 200.326 1.095 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN[C@H](C[NH3+])CC(C)C ZINC000414838328 411450563 /nfs/dbraw/zinc/45/05/63/411450563.db2.gz KIEAJNFUQLYPJD-NEPJUHHUSA-N 2 0 215.385 1.323 20 0 BDADRP CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657292830 411453028 /nfs/dbraw/zinc/45/30/28/411453028.db2.gz PRHYYISIFXFVGU-UHFFFAOYSA-N 2 0 202.261 1.377 20 0 BDADRP C[NH+](C)CCCC[NH2+]Cc1cnn2c1CCC2 ZINC000657334814 411471430 /nfs/dbraw/zinc/47/14/30/411471430.db2.gz HVLLAXOBGKACSQ-UHFFFAOYSA-N 2 0 236.363 1.261 20 0 BDADRP C[NH+](C)CCC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000120958701 411485175 /nfs/dbraw/zinc/48/51/75/411485175.db2.gz QYEDONAEOUNJPX-AVGNSLFASA-N 2 0 238.375 1.485 20 0 BDADRP CC(C)C[C@H]1CC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000307846065 411486893 /nfs/dbraw/zinc/48/68/93/411486893.db2.gz QVBRORXLJGKIGA-CHWSQXEVSA-N 2 0 210.365 1.964 20 0 BDADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](CC(C)C)C1 ZINC000307846838 411487077 /nfs/dbraw/zinc/48/70/77/411487077.db2.gz ONTRJSYBGIZXQW-UONOGXRCSA-N 2 0 242.407 1.667 20 0 BDADRP C[NH2+]Cc1ccccc1NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000127623682 411498235 /nfs/dbraw/zinc/49/82/35/411498235.db2.gz SDMXXMZTWYPVAI-NSHDSACASA-N 2 0 247.342 1.344 20 0 BDADRP CC[NH2+]CC1CC[NH+]([C@@H](C)c2cnccn2)CC1 ZINC000131462322 411534145 /nfs/dbraw/zinc/53/41/45/411534145.db2.gz INCCOKGOFDTISA-LBPRGKRZSA-N 2 0 248.374 1.859 20 0 BDADRP CC[C@H]1C[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)CO1 ZINC000657430841 411507980 /nfs/dbraw/zinc/50/79/80/411507980.db2.gz TVIVKPFUXFTBMS-STQMWFEESA-N 2 0 240.391 1.875 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccncn1 ZINC000655802533 411518565 /nfs/dbraw/zinc/51/85/65/411518565.db2.gz FPWITXSCWZKQCX-UTUOFQBUSA-N 2 0 234.347 1.467 20 0 BDADRP CO[C@H]1CCC[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000655804119 411519838 /nfs/dbraw/zinc/51/98/38/411519838.db2.gz QPFZFPCXPGUHMV-FQUUOJAGSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)C1CCOCC1 ZINC000655806117 411520532 /nfs/dbraw/zinc/52/05/32/411520532.db2.gz PKZHOZCOAPLGBT-BZPMIXESSA-N 2 0 240.391 1.731 20 0 BDADRP COC[C@@H](CC(C)C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806443 411520604 /nfs/dbraw/zinc/52/06/04/411520604.db2.gz VYNGXHARCJHLAR-MCIONIFRSA-N 2 0 242.407 1.977 20 0 BDADRP CC[C@@H]1C[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)CO1 ZINC000657472175 411523372 /nfs/dbraw/zinc/52/33/72/411523372.db2.gz OHMVYJCHFVXXLW-GRYCIOLGSA-N 2 0 214.353 1.341 20 0 BDADRP O[C@@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C[NH+]1CCCC1 ZINC000657325696 411465055 /nfs/dbraw/zinc/46/50/55/411465055.db2.gz JKYXLPVKSKUELS-ZOBORPQBSA-N 2 0 238.375 1.221 20 0 BDADRP CC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371299446 170004375 /nfs/dbraw/zinc/00/43/75/170004375.db2.gz HAWMDVSBFFVRPD-SDDRHHMPSA-N 2 0 212.337 1.190 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@H]2CCC=CO2)C1 ZINC000250332553 170007947 /nfs/dbraw/zinc/00/79/47/170007947.db2.gz ORCAHGSLGJRTPG-QWHCGFSZSA-N 2 0 224.348 1.611 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCOC2(C)C)C1 ZINC000328440708 170009051 /nfs/dbraw/zinc/00/90/51/170009051.db2.gz MJWXFPQWAMTDLR-NWDGAFQWSA-N 2 0 226.364 1.485 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@@H]2CCC=CO2)C1 ZINC000050269130 170015887 /nfs/dbraw/zinc/01/58/87/170015887.db2.gz ORCAHGSLGJRTPG-OLZOCXBDSA-N 2 0 224.348 1.611 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H]2CCCOC2)C1 ZINC000356855251 170016774 /nfs/dbraw/zinc/01/67/74/170016774.db2.gz UZYCBNVVYWJZDO-MJBXVCDLSA-N 2 0 240.391 1.733 20 0 BDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCSC2)C1 ZINC000250337723 170016811 /nfs/dbraw/zinc/01/68/11/170016811.db2.gz PHZLQACNPGKFEQ-NEPJUHHUSA-N 2 0 228.405 1.813 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)C(C)C)[C@@H](C)C1 ZINC000336694038 170017732 /nfs/dbraw/zinc/01/77/32/170017732.db2.gz IFINDLJHJOKYPX-MELADBBJSA-N 2 0 242.407 1.665 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](C)O)C[C@H]1C ZINC000336691410 170017841 /nfs/dbraw/zinc/01/78/41/170017841.db2.gz LNZMECABCNOBID-UTUOFQBUSA-N 2 0 214.353 1.172 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)C(C)C)C[C@@H]1C ZINC000336710124 170017950 /nfs/dbraw/zinc/01/79/50/170017950.db2.gz OUVFDSAHVKAFNK-MELADBBJSA-N 2 0 242.407 1.808 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(C)(C)O)[C@@H](C)C1 ZINC000360471766 170018313 /nfs/dbraw/zinc/01/83/13/170018313.db2.gz COWUYRKVGNKKMN-STQMWFEESA-N 2 0 242.407 1.810 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@H](O)C(C)C)[C@@H](C)C1 ZINC000305121220 170021536 /nfs/dbraw/zinc/02/15/36/170021536.db2.gz HEBDKSWVSAQXIV-IHRRRGAJSA-N 2 0 242.407 1.713 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](C)C2)[C@H](C)C1 ZINC000358293714 170021711 /nfs/dbraw/zinc/02/17/11/170021711.db2.gz AZPQPPCZAMTICD-SYQHCUMBSA-N 2 0 240.391 1.874 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cc3n(n2)CCC3)C1 ZINC000657504138 411539034 /nfs/dbraw/zinc/53/90/34/411539034.db2.gz CPFOCBTUQOIXFL-VDISTLRHSA-N 2 0 248.374 1.259 20 0 BDADRP CC[NH+](CC)[C@H](C)CN[C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000355334727 170037768 /nfs/dbraw/zinc/03/77/68/170037768.db2.gz SMCQOMYAUNVBJX-BFHYXJOUSA-N 2 0 241.423 1.647 20 0 BDADRP CC[NH2+]CC1CC[NH+](Cc2cncn2C)CC1 ZINC000090233545 170111908 /nfs/dbraw/zinc/11/19/08/170111908.db2.gz NUKTVUULWUULHP-UHFFFAOYSA-N 2 0 236.363 1.242 20 0 BDADRP CC[NH2+]CC1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000131502688 170111919 /nfs/dbraw/zinc/11/19/19/170111919.db2.gz IUGKQSKWGMAEPK-AWEZNQCLSA-N 2 0 240.391 1.735 20 0 BDADRP CC[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000358922140 170157784 /nfs/dbraw/zinc/15/77/84/170157784.db2.gz BIELALVDDAMIBV-WZRBSPASSA-N 2 0 241.379 1.008 20 0 BDADRP CCOCCC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357083405 170371960 /nfs/dbraw/zinc/37/19/60/170371960.db2.gz PEFAIZMPKNIXOC-CQSZACIVSA-N 2 0 240.391 1.735 20 0 BDADRP CCOCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000082645428 170397541 /nfs/dbraw/zinc/39/75/41/170397541.db2.gz UQTCOSXEPWFCFC-GHMZBOCLSA-N 2 0 200.326 1.082 20 0 BDADRP CC1=C[C@H](C)CN(C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000660460058 411588114 /nfs/dbraw/zinc/58/81/14/411588114.db2.gz QBZWAFBAPCCAON-GXTWGEPZSA-N 2 0 240.391 1.586 20 0 BDADRP c1ncn2c1CN([C@H]1C=CCCC1)CC2 ZINC000660579377 411603312 /nfs/dbraw/zinc/60/33/12/411603312.db2.gz WLKFAFOWWVCPOT-NSHDSACASA-N 2 0 203.289 1.807 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)C2(OC)CCC2)C1 ZINC000657843465 411610419 /nfs/dbraw/zinc/61/04/19/411610419.db2.gz ZCRGDJXCLORUNG-STQMWFEESA-N 2 0 240.391 1.875 20 0 BDADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCCF)C2 ZINC000660654921 411613698 /nfs/dbraw/zinc/61/36/98/411613698.db2.gz DBKNGYFIZAZCLQ-LBPRGKRZSA-N 2 0 214.328 1.764 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@H]2CCCn3nccc32)CC1 ZINC000657871229 411614332 /nfs/dbraw/zinc/61/43/32/411614332.db2.gz IXCNFVWKQYABCD-CYBMUJFWSA-N 2 0 248.374 1.649 20 0 BDADRP CC[C@@H](O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660660021 411614473 /nfs/dbraw/zinc/61/44/73/411614473.db2.gz SLEBMCJAUFAYRZ-OLZOCXBDSA-N 2 0 226.364 1.175 20 0 BDADRP C[C@@H](CO)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660665946 411615486 /nfs/dbraw/zinc/61/54/86/411615486.db2.gz ZZLZRAKPOPAFMK-CHWSQXEVSA-N 2 0 226.364 1.033 20 0 BDADRP CC[C@](C)(O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660662656 411615724 /nfs/dbraw/zinc/61/57/24/411615724.db2.gz KNHNZHFDAVSFAH-KBPBESRZSA-N 2 0 240.391 1.565 20 0 BDADRP [NH3+]Cc1ccc(NC[C@]23C[C@H]2C[NH2+]C3)cc1 ZINC000663498016 411681242 /nfs/dbraw/zinc/68/12/42/411681242.db2.gz QIXSELZRYOJWHV-WCQYABFASA-N 2 0 217.316 1.167 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)Cn1cccn1 ZINC000663503674 411687033 /nfs/dbraw/zinc/68/70/33/411687033.db2.gz RSRJEZXKLNAPGF-NWDGAFQWSA-N 2 0 224.352 1.235 20 0 BDADRP Cc1cccc(N(C)CC2C[NH+](C)C2)n1 ZINC000664331217 411923338 /nfs/dbraw/zinc/92/33/38/411923338.db2.gz OFZFLUCORSBUBH-UHFFFAOYSA-N 2 0 205.305 1.388 20 0 BDADRP Cc1nccn1CC[N@H+]1CCC[C@@H]1[C@@H](C)O ZINC000661767683 411878508 /nfs/dbraw/zinc/87/85/08/411878508.db2.gz OFJHZNXGJCWVSB-ZYHUDNBSSA-N 2 0 223.320 1.037 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CCC2(COC2)C1 ZINC000662072384 411971810 /nfs/dbraw/zinc/97/18/10/411971810.db2.gz ISTMPKXVYCPWAF-UHFFFAOYSA-N 2 0 226.364 1.441 20 0 BDADRP CCCCC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662152400 412008258 /nfs/dbraw/zinc/00/82/58/412008258.db2.gz UHXXMIMCCHRMLJ-AWEZNQCLSA-N 2 0 240.391 1.708 20 0 BDADRP CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H](CC)[NH2+]C ZINC000664719678 412012947 /nfs/dbraw/zinc/01/29/47/412012947.db2.gz VUFWNUOCSVCHDV-LLVKDONJSA-N 2 0 243.395 1.221 20 0 BDADRP C[NH2+]CC1CC[NH+](C[C@H](OC)C2CCC2)CC1 ZINC000662244021 412039153 /nfs/dbraw/zinc/03/91/53/412039153.db2.gz AFPDESUZZXRJJT-AWEZNQCLSA-N 2 0 240.391 1.733 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1)C1CCC1 ZINC000662243231 412039442 /nfs/dbraw/zinc/03/94/42/412039442.db2.gz GYBUIDVWTLTTOI-KGYLQXTDSA-N 2 0 226.364 1.471 20 0 BDADRP CN(Cc1cccc2c1CC[NH2+]C2)[C@@H]1CC[NH2+]C1 ZINC000662245598 412040675 /nfs/dbraw/zinc/04/06/75/412040675.db2.gz LSFDNEQWAWGHNN-CQSZACIVSA-N 2 0 245.370 1.126 20 0 BDADRP C[C@@H]1CN(Cc2cccc3c2CC[NH2+]C3)CC[NH2+]1 ZINC000662247079 412044152 /nfs/dbraw/zinc/04/41/52/412044152.db2.gz YPYKZTNSBOWGKT-GFCCVEGCSA-N 2 0 245.370 1.126 20 0 BDADRP C[C@@H]([NH3+])C1CC[NH+](CCO[C@H]2CC2(F)F)CC1 ZINC000662247571 412044706 /nfs/dbraw/zinc/04/47/06/412044706.db2.gz XUSOMAKGOMLCSS-KOLCDFICSA-N 2 0 248.317 1.470 20 0 BDADRP CCC[C@H](C)[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252095 412049770 /nfs/dbraw/zinc/04/97/70/412049770.db2.gz JTJNUTCGQPFBRA-RYUDHWBXSA-N 2 0 226.364 1.628 20 0 BDADRP CC[C@@]1(C)CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662258697 412054187 /nfs/dbraw/zinc/05/41/87/412054187.db2.gz ZCDBKUDNOPYZGB-OLZOCXBDSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)[C@@H]1C ZINC000662259154 412054878 /nfs/dbraw/zinc/05/48/78/412054878.db2.gz RBOKMRDZMSYQNP-UTUOFQBUSA-N 2 0 224.348 1.238 20 0 BDADRP CC(C)[C@H]1CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662259143 412054889 /nfs/dbraw/zinc/05/48/89/412054889.db2.gz QUCPLVLMFXRJNR-QWHCGFSZSA-N 2 0 238.375 1.485 20 0 BDADRP Cc1nnc([C@@H](C)[N@@H+]2CCC[C@@H](CC[NH3+])C2)[nH]1 ZINC000662272514 412062384 /nfs/dbraw/zinc/06/23/84/412062384.db2.gz OJIRUMDFKABXDV-KOLCDFICSA-N 2 0 237.351 1.235 20 0 BDADRP Cc1nnc([C@H](C)[N@@H+]2CCC[C@@H](CC[NH3+])C2)[nH]1 ZINC000662272516 412062708 /nfs/dbraw/zinc/06/27/08/412062708.db2.gz OJIRUMDFKABXDV-ONGXEEELSA-N 2 0 237.351 1.235 20 0 BDADRP Cc1nc(C[NH+]2CCC3(CC[NH2+]C3)CC2)co1 ZINC000662273222 412065194 /nfs/dbraw/zinc/06/51/94/412065194.db2.gz KPQWUZCAVYZORD-UHFFFAOYSA-N 2 0 235.331 1.559 20 0 BDADRP CCc1nocc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000662273139 412066152 /nfs/dbraw/zinc/06/61/52/412066152.db2.gz UEDUJLGICYXUNC-LLVKDONJSA-N 2 0 237.347 1.798 20 0 BDADRP Cc1nc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)co1 ZINC000662273489 412066450 /nfs/dbraw/zinc/06/64/50/412066450.db2.gz NMAXUPLLENRMFJ-STQMWFEESA-N 2 0 249.358 1.805 20 0 BDADRP CC[C@@](C)(O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000336258002 171180497 /nfs/dbraw/zinc/18/04/97/171180497.db2.gz QBGSMDOCVARVQH-KGLIPLIRSA-N 2 0 240.391 1.565 20 0 BDADRP Cc1nocc1C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000662282020 412072462 /nfs/dbraw/zinc/07/24/62/412072462.db2.gz AWPAPMDOVPLYSE-LLVKDONJSA-N 2 0 249.358 1.947 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000662284815 412077999 /nfs/dbraw/zinc/07/79/99/412077999.db2.gz PQUPSSPJGBQRGY-OAHLLOKOSA-N 2 0 248.370 1.841 20 0 BDADRP CO[C@H](C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C)C1CCC1 ZINC000662284610 412074380 /nfs/dbraw/zinc/07/43/80/412074380.db2.gz NTTILEGLYQYGFU-RAIGVLPGSA-N 2 0 226.364 1.613 20 0 BDADRP Cc1cc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])ncn1 ZINC000662286620 412076503 /nfs/dbraw/zinc/07/65/03/412076503.db2.gz SFXJATJYABIPKI-BXUZGUMPSA-N 2 0 248.374 1.734 20 0 BDADRP COCCC[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662293481 412082622 /nfs/dbraw/zinc/08/26/22/412082622.db2.gz LLXMSUNEWUPJRD-CQSZACIVSA-N 2 0 240.391 1.735 20 0 BDADRP CC(C)(O)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291609 412082741 /nfs/dbraw/zinc/08/27/41/412082741.db2.gz JDTKSZZYKQBZOJ-CYBMUJFWSA-N 2 0 240.391 1.469 20 0 BDADRP CC[C@H](C)[N@H+](C)CCN[C@H]1CC[NH+](C)C[C@@H]1C ZINC000361038485 171307356 /nfs/dbraw/zinc/30/73/56/171307356.db2.gz PDRUZIFOMQHFAQ-IHRRRGAJSA-N 2 0 241.423 1.647 20 0 BDADRP CC[C@H](C)[C@H]([NH3+])C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000155246430 171393568 /nfs/dbraw/zinc/39/35/68/171393568.db2.gz ZMMVEMSHDVWMIW-SRVKXCTJSA-N 2 0 243.395 1.192 20 0 BDADRP [NH3+]CCOCC[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000662314677 412096392 /nfs/dbraw/zinc/09/63/92/412096392.db2.gz ANRJKHVPSYYABX-ZDUSSCGKSA-N 2 0 226.364 1.474 20 0 BDADRP C([C@@H]1CC[NH2+]C1)[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000662314203 412097090 /nfs/dbraw/zinc/09/70/90/412097090.db2.gz BPOHKBWWHUCTSY-OLZOCXBDSA-N 2 0 224.348 1.098 20 0 BDADRP C[C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000662317380 412098151 /nfs/dbraw/zinc/09/81/51/412098151.db2.gz XFNYNTLZCVHAOY-OLZOCXBDSA-N 2 0 240.391 1.875 20 0 BDADRP C[NH+](C)CCC[C@@H]1C[N@H+](CC2CC2)CCO1 ZINC000662318955 412099074 /nfs/dbraw/zinc/09/90/74/412099074.db2.gz CBANCARXSQFTMZ-CYBMUJFWSA-N 2 0 226.364 1.439 20 0 BDADRP CC(C)=CC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320964 412100409 /nfs/dbraw/zinc/10/04/09/412100409.db2.gz YNDOXTNEAKEVAB-AWEZNQCLSA-N 2 0 240.391 1.995 20 0 BDADRP C[NH+](C)CCC[C@H]1C[N@H+](CCC2CC2)CCO1 ZINC000662320123 412100871 /nfs/dbraw/zinc/10/08/71/412100871.db2.gz QDMOLJIJPBBNDE-AWEZNQCLSA-N 2 0 240.391 1.829 20 0 BDADRP CO[C@H](C)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662326186 412102602 /nfs/dbraw/zinc/10/26/02/412102602.db2.gz VZYBSNAFIGHQOZ-CHWSQXEVSA-N 2 0 244.379 1.064 20 0 BDADRP C[N@H+](C[C@@H]1CC1(C)C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662331616 412105033 /nfs/dbraw/zinc/10/50/33/412105033.db2.gz OIWXLXVEWLWTNK-NWDGAFQWSA-N 2 0 238.375 1.485 20 0 BDADRP CC[C@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])OC ZINC000308577081 171441098 /nfs/dbraw/zinc/44/10/98/171441098.db2.gz NFLYLGPVQCONKN-AXFHLTTASA-N 2 0 200.326 1.128 20 0 BDADRP CC(C)(C)[N@@H+]1CC[C@H](N[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000665236817 412177165 /nfs/dbraw/zinc/17/71/65/412177165.db2.gz VCMIFKSZCQVIIO-SDDRHHMPSA-N 2 0 225.380 1.329 20 0 BDADRP Cc1ccncc1CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000665238995 412179725 /nfs/dbraw/zinc/17/97/25/412179725.db2.gz JWVOIECIKRKHQL-KBPBESRZSA-N 2 0 233.359 1.792 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1NCC1([NH3+])CCCC1 ZINC000665247076 412191095 /nfs/dbraw/zinc/19/10/95/412191095.db2.gz VHFIOSZSSBYSFE-VXGBXAGGSA-N 2 0 225.380 1.365 20 0 BDADRP CC[C@H]([NH2+]CC1([NH3+])CCCC1)[C@@H]1CCOC1 ZINC000665248860 412195134 /nfs/dbraw/zinc/19/51/34/412195134.db2.gz DQPJNMSUVXVISJ-NEPJUHHUSA-N 2 0 226.364 1.663 20 0 BDADRP CC[C@@H](O)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000665261850 412204228 /nfs/dbraw/zinc/20/42/28/412204228.db2.gz NCFAYMQSUVPCPF-XJFOESAGSA-N 2 0 240.391 1.658 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1ccoc1 ZINC000665261888 412204650 /nfs/dbraw/zinc/20/46/50/412204650.db2.gz NYSCHLJEXUHEBN-AAEUAGOBSA-N 2 0 222.332 1.800 20 0 BDADRP CC[C@@H](O)C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000665262331 412205714 /nfs/dbraw/zinc/20/57/14/412205714.db2.gz YSYJIDAWXDDHMJ-YNEHKIRRSA-N 2 0 228.380 1.658 20 0 BDADRP c1cc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)co1 ZINC000665262981 412205819 /nfs/dbraw/zinc/20/58/19/412205819.db2.gz DAGRGQICLVTFLY-FUNVUKJBSA-N 2 0 220.316 1.695 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCc1ccoc1 ZINC000665263555 412206749 /nfs/dbraw/zinc/20/67/49/412206749.db2.gz OZIJIFRGYMDWDF-RYUDHWBXSA-N 2 0 208.305 1.539 20 0 BDADRP Cn1ncc(C2CC2)c1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000665264960 412208126 /nfs/dbraw/zinc/20/81/26/412208126.db2.gz MTXUQEAGKXBEEF-VXGBXAGGSA-N 2 0 248.374 1.657 20 0 BDADRP C[C@]1(C[NH2+][C@H]2CCC[C@H]2C[NH3+])CC1(F)F ZINC000665265021 412208641 /nfs/dbraw/zinc/20/86/41/412208641.db2.gz NXWNQBABLFRHPJ-LPEHRKFASA-N 2 0 218.291 1.749 20 0 BDADRP C[C@H]([NH2+]CC[C@]1(C)CC1(F)F)C1C[NH2+]C1 ZINC000665266406 412209578 /nfs/dbraw/zinc/20/95/78/412209578.db2.gz APRFLYKZKWSISD-WCBMZHEXSA-N 2 0 218.291 1.619 20 0 BDADRP C[NH2+]Cc1cccc(NC(=O)CC2([NH3+])CC2)c1 ZINC000662398765 412147939 /nfs/dbraw/zinc/14/79/39/412147939.db2.gz ANSSSTGXLFUGMH-UHFFFAOYSA-N 2 0 233.315 1.226 20 0 BDADRP CC[NH2+]Cc1ccccc1NC(=O)CC1([NH3+])CC1 ZINC000662399309 412148814 /nfs/dbraw/zinc/14/88/14/412148814.db2.gz LJGDQPUKUQUQLN-UHFFFAOYSA-N 2 0 247.342 1.616 20 0 BDADRP CC[NH2+]Cc1cccc(NC(=O)C[NH2+]C(C)C)c1 ZINC000662399407 412149497 /nfs/dbraw/zinc/14/94/97/412149497.db2.gz SRRYGGQTMCQNMF-UHFFFAOYSA-N 2 0 249.358 1.733 20 0 BDADRP COC1CC(CC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000665229946 412169075 /nfs/dbraw/zinc/16/90/75/412169075.db2.gz GUNIXHBYHXBVEY-FKZOYECMSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccc(N)c1 ZINC000665232365 412169678 /nfs/dbraw/zinc/16/96/78/412169678.db2.gz LTEGMTVIKICFIJ-BXUZGUMPSA-N 2 0 233.359 1.747 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(N)c1 ZINC000665231963 412169998 /nfs/dbraw/zinc/16/99/98/412169998.db2.gz CARMBKKACNYSJY-ZJUUUORDSA-N 2 0 207.321 1.484 20 0 BDADRP Nc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000665232049 412170849 /nfs/dbraw/zinc/17/08/49/412170849.db2.gz FBZLAXXAPZJBCR-TZMCWYRMSA-N 2 0 233.359 1.876 20 0 BDADRP C[C@H]1C[C@@H]([NH2+]Cc2cccc(N)c2)CC[N@@H+]1C ZINC000665233864 412172698 /nfs/dbraw/zinc/17/26/98/412172698.db2.gz RKGYZYAHWBGLLO-FZMZJTMJSA-N 2 0 233.359 1.841 20 0 BDADRP Cc1cncc(CC[NH2+][C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000665273677 412216022 /nfs/dbraw/zinc/21/60/22/412216022.db2.gz BNLIITLHDFBOMH-WCQYABFASA-N 2 0 234.347 1.045 20 0 BDADRP CC[C@H]([NH2+]C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000662555930 412216645 /nfs/dbraw/zinc/21/66/45/412216645.db2.gz YEHLQVAUNWCKKE-NSHDSACASA-N 2 0 221.304 1.082 20 0 BDADRP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)[C@@H]1CCCOC1 ZINC000665279046 412222588 /nfs/dbraw/zinc/22/25/88/412222588.db2.gz VSOLYPMAGROIAD-CQLXCSJHSA-N 2 0 224.348 1.143 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000665280689 412224191 /nfs/dbraw/zinc/22/41/91/412224191.db2.gz JBXLTCHAIDZEEX-IACUBPJLSA-N 2 0 239.407 1.432 20 0 BDADRP CC(C)[C@H](Cn1cccn1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665280361 412224277 /nfs/dbraw/zinc/22/42/77/412224277.db2.gz ZQJVACXXDSDHSH-MOKVOYLWSA-N 2 0 248.374 1.249 20 0 BDADRP CC[C@H]([NH2+]CC[C@@H]([NH3+])C(C)C)c1cnn(C)c1 ZINC000665280478 412225499 /nfs/dbraw/zinc/22/54/99/412225499.db2.gz CTGIBOHCXPAYBV-OLZOCXBDSA-N 2 0 238.379 1.834 20 0 BDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)CCCC[NH3+] ZINC000665281754 412226490 /nfs/dbraw/zinc/22/64/90/412226490.db2.gz KHNFURGVXHBRDK-NWDGAFQWSA-N 3 0 215.385 1.467 20 0 BDADRP CC(C)[C@H]([NH3+])CCN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000665282239 412227588 /nfs/dbraw/zinc/22/75/88/412227588.db2.gz UFMGDXNWVMNSDO-UPJWGTAASA-N 2 0 227.396 1.480 20 0 BDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCCc1ccco1 ZINC000665283763 412228968 /nfs/dbraw/zinc/22/89/68/412228968.db2.gz UNKVBYCOXUTSLZ-GHMZBOCLSA-N 2 0 210.321 1.928 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1nccn1C ZINC000665283917 412229159 /nfs/dbraw/zinc/22/91/59/412229159.db2.gz XCMAIUNVCYVRFV-MNOVXSKESA-N 2 0 224.352 1.588 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCCc1ccco1 ZINC000665283851 412229690 /nfs/dbraw/zinc/22/96/90/412229690.db2.gz WEFPFRBSQAHSGC-DGCLKSJQSA-N 2 0 222.332 1.929 20 0 BDADRP CC(C)[C@H]([NH3+])CCNC1CC[NH+](C2CC2)CC1 ZINC000665284027 412229807 /nfs/dbraw/zinc/22/98/07/412229807.db2.gz ZFXVWGJIXSZJMS-CQSZACIVSA-N 2 0 239.407 1.576 20 0 BDADRP CCC[C@@H](CC)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665291724 412237339 /nfs/dbraw/zinc/23/73/39/412237339.db2.gz JNMOTHRINPHCSI-SECBINFHSA-N 2 0 238.335 1.309 20 0 BDADRP C[NH2+]C[C@H](C)NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000662952338 412352294 /nfs/dbraw/zinc/35/22/94/412352294.db2.gz CVUHMIZTEGGGER-AAEUAGOBSA-N 2 0 249.358 1.191 20 0 BDADRP C[C@H]([NH3+])c1ccc(C(=O)N[C@]2(C)CC[NH2+]C2)cc1 ZINC000663013115 412370740 /nfs/dbraw/zinc/37/07/40/412370740.db2.gz JJUNBHPROHSONF-IINYFYTJSA-N 2 0 247.342 1.188 20 0 BDADRP [NH3+]Cc1ccc(-c2noc(CC3([NH3+])CC3)n2)cc1 ZINC000663251807 412401330 /nfs/dbraw/zinc/40/13/30/412401330.db2.gz RYTXUUOBRUHRHR-UHFFFAOYSA-N 2 0 244.298 1.229 20 0 BDADRP CCn1cc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)cn1 ZINC000070074161 172163995 /nfs/dbraw/zinc/16/39/95/172163995.db2.gz ISYBCTYWKMLHBK-GFCCVEGCSA-N 2 0 236.363 1.464 20 0 BDADRP CCn1cc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)cn1 ZINC000368082770 172173597 /nfs/dbraw/zinc/17/35/97/172173597.db2.gz ZOFWJUGJIFNPFQ-LLVKDONJSA-N 2 0 245.330 1.273 20 0 BDADRP CCn1cc([C@@H](C)[NH2+]CCCC[NH+](C)C)cn1 ZINC000045664324 172192461 /nfs/dbraw/zinc/19/24/61/172192461.db2.gz NSLCKGVWYOQLCR-GFCCVEGCSA-N 2 0 238.379 1.895 20 0 BDADRP C[NH+](C)C(C)(C)CNC(=O)c1ccc(C[NH3+])cc1 ZINC000042288127 172395116 /nfs/dbraw/zinc/39/51/16/172395116.db2.gz WQXCOQOREQCWTB-UHFFFAOYSA-N 2 0 249.358 1.215 20 0 BDADRP C[NH+](C)C(C)(C)CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127757015 172398565 /nfs/dbraw/zinc/39/85/65/172398565.db2.gz ACADFWCLNGWPQD-QWHCGFSZSA-N 3 0 239.407 1.543 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@@H]1CCOC1(C)C ZINC000328368022 172428674 /nfs/dbraw/zinc/42/86/74/172428674.db2.gz HPTKCPUPOJXXDI-LLVKDONJSA-N 2 0 214.353 1.485 20 0 BDADRP C[N@H+](CCC[NH+]1CCCCC1)[C@H]1CCC[C@H]1O ZINC000352665061 172706699 /nfs/dbraw/zinc/70/66/99/172706699.db2.gz DEVKFXBFFCBGPE-UONOGXRCSA-N 2 0 240.391 1.708 20 0 BDADRP CN1CCCC[C@@H]1C[NH2+]C1CCC([NH3+])CC1 ZINC000054243906 173004979 /nfs/dbraw/zinc/00/49/79/173004979.db2.gz QOIQVVAXLZURSL-WXRRBKDZSA-N 2 0 225.380 1.330 20 0 BDADRP CN1CCC[C@@H]([NH2+]C[C@@H]2CCCCN2C)C1 ZINC000054243462 173021489 /nfs/dbraw/zinc/02/14/89/173021489.db2.gz YWBQLVLZSVYPCZ-OLZOCXBDSA-N 2 0 225.380 1.155 20 0 BDADRP C[N@@H+]1CC[C@@H](N2C[C@H](CC[NH3+])c3ccccc32)C1 ZINC000063127444 173121770 /nfs/dbraw/zinc/12/17/70/173121770.db2.gz ZAHMWZPUIBAAFL-QWHCGFSZSA-N 2 0 245.370 1.643 20 0 BDADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCCCCO)C2)C1 ZINC000309346832 173138957 /nfs/dbraw/zinc/13/89/57/173138957.db2.gz MJHXGNXCSVCPNH-CYBMUJFWSA-N 2 0 226.364 1.177 20 0 BDADRP C[N@@H+]1CC[C@]2(CC[NH+](CC3(C)COC3)C2)C1 ZINC000336664947 173168226 /nfs/dbraw/zinc/16/82/26/173168226.db2.gz LFEIXCQUTPITFK-ZDUSSCGKSA-N 2 0 224.348 1.051 20 0 BDADRP CNC(=O)CC[N@H+](C)CCCc1cnccc1C ZINC000289292132 173247119 /nfs/dbraw/zinc/24/71/19/173247119.db2.gz HIBXODLHMMPNFE-UHFFFAOYSA-N 2 0 249.358 1.391 20 0 BDADRP C[NH2+]C1CC[NH+](CC2CCOCC2)CC1 ZINC000052170975 173322865 /nfs/dbraw/zinc/32/28/65/173322865.db2.gz XHWZDBLEWUWKMG-UHFFFAOYSA-N 2 0 212.337 1.097 20 0 BDADRP C[NH2+]CC1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000063166283 173338791 /nfs/dbraw/zinc/33/87/91/173338791.db2.gz GSXHZKHFTWIMGA-UHFFFAOYSA-N 2 0 239.388 1.883 20 0 BDADRP C[NH2+]CCCN1C[C@H](C[NH3+])[C@@H](c2ccccc2)C1 ZINC000337081694 173346909 /nfs/dbraw/zinc/34/69/09/173346909.db2.gz WNEXRCOPAJZGET-LSDHHAIUSA-N 2 0 247.386 1.270 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000336659447 173347009 /nfs/dbraw/zinc/34/70/09/173347009.db2.gz BXLKWVINXOTVKC-NEPJUHHUSA-N 2 0 212.337 1.097 20 0 BDADRP C[NH2+]CCCN1C[C@H]([NH3+])[C@H](c2ccccc2)C1 ZINC000337051325 173347317 /nfs/dbraw/zinc/34/73/17/173347317.db2.gz JQPLSGYOVGBULW-KBPBESRZSA-N 2 0 233.359 1.023 20 0 BDADRP C[NH2+]C[C@@H](C)C(=O)NCC1([NH3+])CCCCCC1 ZINC000122459705 173362629 /nfs/dbraw/zinc/36/26/29/173362629.db2.gz UFDJVRGOULBCBB-LLVKDONJSA-N 2 0 241.379 1.010 20 0 BDADRP C[NH2+]C[C@@H]1CCCN1CCc1ccccc1 ZINC000019933353 173369034 /nfs/dbraw/zinc/36/90/34/173369034.db2.gz IRGGPLMTTHLKEK-AWEZNQCLSA-N 2 0 218.344 1.913 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](CCCCCF)C1 ZINC000308481677 173370143 /nfs/dbraw/zinc/37/01/43/173370143.db2.gz NAJXNRYICOJGHB-NSHDSACASA-N 2 0 202.317 1.668 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](CCOc2ccccc2)C1 ZINC000053033258 173370713 /nfs/dbraw/zinc/37/07/13/173370713.db2.gz WRNJTKVGSAXZQQ-ZDUSSCGKSA-N 2 0 234.343 1.607 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC000223650650 173381714 /nfs/dbraw/zinc/38/17/14/173381714.db2.gz DMCQVHFLWACOOH-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP C[NH2+]Cc1ccc(NC(=O)[C@]2(C)CC[NH2+]C2)cc1 ZINC000295162387 173389174 /nfs/dbraw/zinc/38/91/74/173389174.db2.gz DYFNHHRSFZHNMY-CQSZACIVSA-N 2 0 247.342 1.344 20 0 BDADRP COCC1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000069633086 174120019 /nfs/dbraw/zinc/12/00/19/174120019.db2.gz FYRSJVSDJMLABK-CYBMUJFWSA-N 2 0 226.364 1.344 20 0 BDADRP COCC1CC[NH+](C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000234584811 174120701 /nfs/dbraw/zinc/12/07/01/174120701.db2.gz ALKBVOAXVMKQIM-TZMCWYRMSA-N 2 0 240.391 1.733 20 0 BDADRP COCCCCC[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000309461461 174176948 /nfs/dbraw/zinc/17/69/48/174176948.db2.gz OXXHKGYWYHDTIC-RYUDHWBXSA-N 2 0 214.353 1.472 20 0 BDADRP COCCCC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000117883634 174192672 /nfs/dbraw/zinc/19/26/72/174192672.db2.gz IUYNYKBWPHBHSK-LBPRGKRZSA-N 2 0 214.353 1.297 20 0 BDADRP COCCCC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000117883636 174193892 /nfs/dbraw/zinc/19/38/92/174193892.db2.gz IUYNYKBWPHBHSK-GFCCVEGCSA-N 2 0 214.353 1.297 20 0 BDADRP COCCCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000308803255 174194624 /nfs/dbraw/zinc/19/46/24/174194624.db2.gz ACJQSOBMDHXOIT-RYUDHWBXSA-N 2 0 212.337 1.097 20 0 BDADRP COCCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000336648558 174227632 /nfs/dbraw/zinc/22/76/32/174227632.db2.gz PATWUUQYFRQLBJ-UHFFFAOYSA-N 2 0 214.353 1.297 20 0 BDADRP COCCC[C@@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000309055339 174261652 /nfs/dbraw/zinc/26/16/52/174261652.db2.gz UEDXAOQWPYQEMY-VXGBXAGGSA-N 2 0 216.369 1.731 20 0 BDADRP COCC[N@H+](CC(C)C)C[C@H]([NH3+])CC(C)C ZINC000042370830 174287776 /nfs/dbraw/zinc/28/77/76/174287776.db2.gz FGKIVBQNRAQZIH-CYBMUJFWSA-N 2 0 230.396 1.964 20 0 BDADRP COC[C@H](C)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169767 174539438 /nfs/dbraw/zinc/53/94/38/174539438.db2.gz NTCGGVFHTUSYOR-WDEREUQCSA-N 2 0 200.326 1.082 20 0 BDADRP COC[C@H]([NH2+]CCC1CC[NH+](C)CC1)C(C)C ZINC000125428717 174579967 /nfs/dbraw/zinc/57/99/67/174579967.db2.gz CHIXRSCPCJQRRY-AWEZNQCLSA-N 2 0 242.407 1.979 20 0 BDADRP CC[C@@]1(C)CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000383493980 487629669 /nfs/dbraw/zinc/62/96/69/487629669.db2.gz BGSJGYONQXGKRT-KGLIPLIRSA-N 2 0 242.407 1.810 20 0 BDADRP COc1ccc(C[NH2+][C@H](C)CCC[NH3+])cn1 ZINC000336654678 175111601 /nfs/dbraw/zinc/11/16/01/175111601.db2.gz KCJSKXXIRIJIIK-SNVBAGLBSA-N 2 0 223.320 1.307 20 0 BDADRP COc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000251894871 175259441 /nfs/dbraw/zinc/25/94/41/175259441.db2.gz VWCBZWSJGSRPBH-BXUZGUMPSA-N 2 0 234.343 1.864 20 0 BDADRP COc1cccc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000107936006 175260591 /nfs/dbraw/zinc/26/05/91/175260591.db2.gz PQSUTFOCNBHPOK-DGCLKSJQSA-N 2 0 234.343 1.864 20 0 BDADRP COc1cccc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000107936010 175260597 /nfs/dbraw/zinc/26/05/97/175260597.db2.gz PQSUTFOCNBHPOK-YPMHNXCESA-N 2 0 234.343 1.864 20 0 BDADRP C[C@@H]1CC([NH2+][C@H]2CCc3nc[nH]c3C2)C[C@@H](C)O1 ZINC000368091201 176055437 /nfs/dbraw/zinc/05/54/37/176055437.db2.gz VVHLEUKJCHSGQR-MXWKQRLJSA-N 2 0 249.358 1.813 20 0 BDADRP C[C@@H]1CC[N@H+](CCN2CC[NH2+]CC2)[C@H](C)C1 ZINC000051732089 176171416 /nfs/dbraw/zinc/17/14/16/176171416.db2.gz JYJZSNLPKNKMBP-CHWSQXEVSA-N 2 0 225.380 1.012 20 0 BDADRP C[C@@H]1C[N@H+](C)CCN1CC[NH2+]C(C)(C)C ZINC000235475508 176267842 /nfs/dbraw/zinc/26/78/42/176267842.db2.gz MDDPSAHYGHVDCA-LLVKDONJSA-N 2 0 213.369 1.010 20 0 BDADRP C[C@H](CN[C@@H]1CC[N@H+](C)C[C@H]1C)[NH+](C)C1CC1 ZINC000361183622 176271045 /nfs/dbraw/zinc/27/10/45/176271045.db2.gz ZGMDOTDAWXQROL-YRGRVCCFSA-N 2 0 239.407 1.399 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](O)C(C)(C)C ZINC000305159223 176277891 /nfs/dbraw/zinc/27/78/91/176277891.db2.gz WOIXXHIVVGLFBR-FVCCEPFGSA-N 2 0 242.407 1.712 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000128236606 176278399 /nfs/dbraw/zinc/27/83/99/176278399.db2.gz MEBWZHRODJBBNR-LBELIVKGSA-N 2 0 240.391 1.464 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCC[NH+]1CCCC1 ZINC000036908133 176278535 /nfs/dbraw/zinc/27/85/35/176278535.db2.gz ZNSVSRMSNJOANO-MGPQQGTHSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC1CC[NH+](C)CC1 ZINC000036908597 176279146 /nfs/dbraw/zinc/27/91/46/176279146.db2.gz OYZLVNPZPCHLKQ-BZPMIXESSA-N 2 0 239.407 1.399 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@@H]2CCCO2)CC[C@H]1[NH3+] ZINC000251694893 176294712 /nfs/dbraw/zinc/29/47/12/176294712.db2.gz IMXDXAUKJSDLQD-GRYCIOLGSA-N 2 0 212.337 1.225 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[NH+](C(C)(C)C)CC1 ZINC000104214930 176330208 /nfs/dbraw/zinc/33/02/08/176330208.db2.gz SNMGLSODZBPWBL-OLZOCXBDSA-N 2 0 239.407 1.258 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000310065656 176340492 /nfs/dbraw/zinc/34/04/92/176340492.db2.gz PZUPDSJDVNWBGS-OLZOCXBDSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1COCC[C@H]1[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000309733765 176344288 /nfs/dbraw/zinc/34/42/88/176344288.db2.gz BUVIQXSGDQZPHM-FRRDWIJNSA-N 2 0 226.364 1.485 20 0 BDADRP C[NH2+]CCC[NH2+]C[C@H]1CCOc2ccccc21 ZINC000228394394 487633574 /nfs/dbraw/zinc/63/35/74/487633574.db2.gz HVOLDBHWWRJIRC-GFCCVEGCSA-N 2 0 234.343 1.752 20 0 BDADRP C[C@@H]1CSC[C@@H]1[NH2+]CCC[NH+](C)C ZINC000336643658 176352426 /nfs/dbraw/zinc/35/24/26/176352426.db2.gz JWVJLLLTJUTUSF-ZJUUUORDSA-N 2 0 202.367 1.279 20 0 BDADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccnc1 ZINC000122329198 176367745 /nfs/dbraw/zinc/36/77/45/176367745.db2.gz SDQQBWIEYVEAPQ-PWSUYJOCSA-N 2 0 205.305 1.251 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCC2CC(O)C2)CC[N@@H+]1C ZINC000309789856 176374699 /nfs/dbraw/zinc/37/46/99/176374699.db2.gz OYMMAGZTPAKKHO-IGJPJIBNSA-N 2 0 226.364 1.220 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCCC[NH3+])c2nccn21 ZINC000345362092 176375651 /nfs/dbraw/zinc/37/56/51/176375651.db2.gz VDPHDCLJVOLIDB-NXEZZACHSA-N 2 0 208.309 1.217 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)C2CC2)CC[N@@H+]1C ZINC000336741623 176376168 /nfs/dbraw/zinc/37/61/68/176376168.db2.gz NHHLJFKHTXMYPP-WXHSDQCUSA-N 2 0 226.364 1.077 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357051051 176391614 /nfs/dbraw/zinc/39/16/14/176391614.db2.gz MNTDGPKWGYPJLX-MRVWCRGKSA-N 2 0 222.376 1.964 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000309816879 176395642 /nfs/dbraw/zinc/39/56/42/176395642.db2.gz VKSMGEJZEVZHOV-CHWSQXEVSA-N 2 0 226.364 1.344 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)[C@H]1C ZINC000309358994 176496482 /nfs/dbraw/zinc/49/64/82/176496482.db2.gz AEDLDXPHMFLCEJ-VOAKCMCISA-N 2 0 226.364 1.077 20 0 BDADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000054240515 176838213 /nfs/dbraw/zinc/83/82/13/176838213.db2.gz VJVBERHVIUGXPA-WCQYABFASA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H](c1ccccc1)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313383727 177038269 /nfs/dbraw/zinc/03/82/69/177038269.db2.gz JKRVEHOBUXUYHI-OCCSQVGLSA-N 2 0 234.343 1.797 20 0 BDADRP C[C@H](CC[NH+](C)C)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000352902877 177242015 /nfs/dbraw/zinc/24/20/15/177242015.db2.gz SPFLNQHMZATZCE-OUCADQQQSA-N 2 0 239.407 1.399 20 0 BDADRP C[C@H]1COCC[C@@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000309657733 177294922 /nfs/dbraw/zinc/29/49/22/177294922.db2.gz AHOMNORDUJCSIM-AAEUAGOBSA-N 2 0 224.348 1.263 20 0 BDADRP C[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000223217493 177301485 /nfs/dbraw/zinc/30/14/85/177301485.db2.gz NQPUKESXVSIXMQ-NWDGAFQWSA-N 2 0 226.364 1.485 20 0 BDADRP C[C@H]1C[C@@H](C[N@H+](C)CCOCC2CC2)CC[NH2+]1 ZINC000235697366 177323687 /nfs/dbraw/zinc/32/36/87/177323687.db2.gz BFNXLOKAPBPOMT-JSGCOSHPSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccs1 ZINC000126712319 177324918 /nfs/dbraw/zinc/32/49/18/177324918.db2.gz NDKVMJFEXHNQOS-UWVGGRQHSA-N 2 0 210.346 1.917 20 0 BDADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccccc1F ZINC000122306110 177325019 /nfs/dbraw/zinc/32/50/19/177325019.db2.gz RTTHBULMCQWFEZ-QWRGUYRKSA-N 2 0 222.307 1.995 20 0 BDADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccc(O)c1 ZINC000126771748 177325156 /nfs/dbraw/zinc/32/51/56/177325156.db2.gz OWTMIZDXPMWYME-JQWIXIFHSA-N 2 0 220.316 1.561 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCC[NH+](C)C ZINC000045663923 177330864 /nfs/dbraw/zinc/33/08/64/177330864.db2.gz SWGJRMYSHFCPFX-HZSPNIEDSA-N 3 0 241.423 1.647 20 0 BDADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCOc1ccccc1 ZINC000132406910 177361218 /nfs/dbraw/zinc/36/12/18/177361218.db2.gz QSOBLXHFWHDKKA-QWHCGFSZSA-N 2 0 234.343 1.735 20 0 BDADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc2c[nH]nc2c1 ZINC000334141051 177361733 /nfs/dbraw/zinc/36/17/33/177361733.db2.gz DOQIKTSGDHRSQX-CMPLNLGQSA-N 2 0 244.342 1.732 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CCOCC1 ZINC000036908723 177368820 /nfs/dbraw/zinc/36/88/20/177368820.db2.gz XELTYXTXWBUVBC-MDZLAQPJSA-N 2 0 226.364 1.484 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCC[NH+]1CCCC1 ZINC000036908132 177369309 /nfs/dbraw/zinc/36/93/09/177369309.db2.gz ZNSVSRMSNJOANO-RDBSUJKOSA-N 2 0 239.407 1.401 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CCc2ccncc2)CC[N@@H+]1C ZINC000156642363 177369892 /nfs/dbraw/zinc/36/98/92/177369892.db2.gz QQEQQSXKUOYMDS-GXTWGEPZSA-N 2 0 233.359 1.696 20 0 BDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1cnccn1 ZINC000341901521 177370712 /nfs/dbraw/zinc/37/07/12/177370712.db2.gz YWNSGEWQDQZGNX-DYEKYZERSA-N 2 0 248.374 1.337 20 0 BDADRP CCC[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000328276572 487641828 /nfs/dbraw/zinc/64/18/28/487641828.db2.gz QWUHCPJUENBEAU-MCIONIFRSA-N 2 0 239.407 1.543 20 0 BDADRP C[C@@H](NC1CC[NH+](C2CC2)CC1)[C@H]1CCC[NH2+]1 ZINC000400400144 225163702 /nfs/dbraw/zinc/16/37/02/225163702.db2.gz PMUWQTQYVMTWLN-BXUZGUMPSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCCN2C)CS1 ZINC000226014061 487643799 /nfs/dbraw/zinc/64/37/99/487643799.db2.gz HKANFNBLDFAWTL-DCAQKATOSA-N 2 0 214.378 1.564 20 0 BDADRP COC[C@@]1(C)CC[N@H+](CCn2ccnc2C)C1 ZINC000487033611 225282734 /nfs/dbraw/zinc/28/27/34/225282734.db2.gz HLYZORCBYCZGJL-ZDUSSCGKSA-N 2 0 237.347 1.550 20 0 BDADRP COCCC[NH+]1CCC([NH2+]C[C@H]2C[C@@H]2C)CC1 ZINC000488440323 225398485 /nfs/dbraw/zinc/39/84/85/225398485.db2.gz PWBRGAXZZHAIGV-QWHCGFSZSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H](CCCCO)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400324284 226340481 /nfs/dbraw/zinc/34/04/81/226340481.db2.gz AXLIXYVZLMKXNI-UTUOFQBUSA-N 2 0 214.353 1.268 20 0 BDADRP C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCC[NH2+]1 ZINC000400362181 226341915 /nfs/dbraw/zinc/34/19/15/226341915.db2.gz CKWBIUWQIOMPDW-REWJHTLYSA-N 2 0 237.391 1.343 20 0 BDADRP COCC(C)(C)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400495819 226344816 /nfs/dbraw/zinc/34/48/16/226344816.db2.gz HJYAVBGBGCTEGC-MNOVXSKESA-N 2 0 214.353 1.389 20 0 BDADRP C[C@H]([NH2+]CCCn1cccn1)[C@@H]1CCC[NH2+]1 ZINC000400507690 226345140 /nfs/dbraw/zinc/34/51/40/226345140.db2.gz ICJKDDYCTUVTJM-RYUDHWBXSA-N 2 0 222.336 1.003 20 0 BDADRP C[C@H](NCC[NH+]1CCCCC1)[C@H]1CCC[NH2+]1 ZINC000400720068 226350212 /nfs/dbraw/zinc/35/02/12/226350212.db2.gz OGDBREQXZZXCSF-QWHCGFSZSA-N 2 0 225.380 1.202 20 0 BDADRP COCCOCCCC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400719007 226350224 /nfs/dbraw/zinc/35/02/24/226350224.db2.gz NXTLYLUERSLOBU-CHWSQXEVSA-N 2 0 244.379 1.160 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCCc2cncn2C)C1 ZINC000314980959 487669200 /nfs/dbraw/zinc/66/92/00/487669200.db2.gz XNMSAOJEDQLSFF-RYUDHWBXSA-N 2 0 236.363 1.022 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@H]21 ZINC000228546973 487673029 /nfs/dbraw/zinc/67/30/29/487673029.db2.gz WYZDQOHANGRXNG-XJFOESAGSA-N 2 0 238.375 1.615 20 0 BDADRP CCC[NH+]1CCC(NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000233018595 487682749 /nfs/dbraw/zinc/68/27/49/487682749.db2.gz VTXJNYQDOJVICJ-AWEZNQCLSA-N 2 0 239.407 1.593 20 0 BDADRP CCO[C@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000250483476 487732770 /nfs/dbraw/zinc/73/27/70/487732770.db2.gz GJRWQSGRFXYQMH-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP COCC[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000222631454 487742428 /nfs/dbraw/zinc/74/24/28/487742428.db2.gz XFOAUPHLXATCJG-MJBXVCDLSA-N 2 0 240.391 1.875 20 0 BDADRP C(C[N@@H+]1CC[C@H](N2CCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000250820966 487742538 /nfs/dbraw/zinc/74/25/38/487742538.db2.gz GDFVPWRMLFEQFA-KGLIPLIRSA-N 2 0 237.391 1.156 20 0 BDADRP C[N@@H+]1CC[C@H]([NH2+]CC2(CO)CC2)[C@@H]2CCC[C@@H]21 ZINC000671749741 487765570 /nfs/dbraw/zinc/76/55/70/487765570.db2.gz NCSOZURWYMQWPA-AVGNSLFASA-N 2 0 238.375 1.221 20 0 BDADRP C[NH2+]C[C@H](C)NC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000662968019 487776310 /nfs/dbraw/zinc/77/63/10/487776310.db2.gz QBOVGDDXUPOJKI-CMPLNLGQSA-N 2 0 241.379 1.008 20 0 BDADRP C[C@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1CCC[NH3+] ZINC000414757572 487821462 /nfs/dbraw/zinc/82/14/62/487821462.db2.gz LJELVOXNQUQKOQ-IUCAKERBSA-N 2 0 224.270 1.998 20 0 BDADRP Cc1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cn1 ZINC000414827185 487825169 /nfs/dbraw/zinc/82/51/69/487825169.db2.gz GVFFGXSGLSKKTK-LBPRGKRZSA-N 2 0 219.332 1.479 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]Cc1scnc1C1CC1 ZINC000414869261 487826502 /nfs/dbraw/zinc/82/65/02/487826502.db2.gz AJWCQEXHLONKTC-MRVPVSSYSA-N 2 0 225.361 1.705 20 0 BDADRP CC[NH2+]Cc1ccccc1NCCC[NH3+] ZINC000414860586 487826738 /nfs/dbraw/zinc/82/67/38/487826738.db2.gz DFDXSNMMMCOAKZ-UHFFFAOYSA-N 2 0 207.321 1.557 20 0 BDADRP Cc1ccnc(N[C@@H](C)[C@@H]2CN(C)CCO2)c1 ZINC000676314264 487836046 /nfs/dbraw/zinc/83/60/46/487836046.db2.gz PLUVJQXVEAEZQS-RYUDHWBXSA-N 2 0 235.331 1.521 20 0 BDADRP CC(C)(C)[C@H]1OCCC[C@@H]1C[NH2+]CCC[NH3+] ZINC000415087489 487836516 /nfs/dbraw/zinc/83/65/16/487836516.db2.gz UTILGZVJDYQNIW-NEPJUHHUSA-N 2 0 228.380 1.766 20 0 BDADRP CC(C)[C@H](C[NH2+]CCC[NH3+])c1cccnc1 ZINC000415078322 487836715 /nfs/dbraw/zinc/83/67/15/487836715.db2.gz GLPKWLNVJCBRLD-ZDUSSCGKSA-N 2 0 221.348 1.760 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCOCc2ccccc2)C1 ZINC000309912009 487847431 /nfs/dbraw/zinc/84/74/31/487847431.db2.gz SEDOYZFCQPYMML-HIFRSBDPSA-N 2 0 248.370 1.872 20 0 BDADRP CC[N@H+](C[C@@H]1CCOC1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000666623357 487847567 /nfs/dbraw/zinc/84/75/67/487847567.db2.gz OYTCHZAQXWIYOJ-IHRRRGAJSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@H](CCCO)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925679048 634273420 /nfs/dbraw/zinc/27/34/20/634273420.db2.gz HIHVZLBMPCXSCH-MNOVXSKESA-N 2 0 214.353 1.125 20 0 BDADRP C[C@@H]1C[C@@H](C[N@H+](CCO)CC(C)(C)C)CC[NH2+]1 ZINC000666639245 487849667 /nfs/dbraw/zinc/84/96/67/487849667.db2.gz PNDQFFNPYSWVBI-OLZOCXBDSA-N 2 0 242.407 1.715 20 0 BDADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(CCC[NH3+])C1 ZINC000666645405 487850634 /nfs/dbraw/zinc/85/06/34/487850634.db2.gz RVUBPUDIWXEWRS-HNNXBMFYSA-N 2 0 247.386 1.542 20 0 BDADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2nccs2)CC1 ZINC000253107203 487851192 /nfs/dbraw/zinc/85/11/92/487851192.db2.gz BTKVHWLWRZBJFS-XYPYZODXSA-N 2 0 239.388 1.998 20 0 BDADRP Cc1cn2c(n1)CN(C[C@@H]1CC[NH2+][C@@H](C)C1)CC2 ZINC000666699042 487862208 /nfs/dbraw/zinc/86/22/08/487862208.db2.gz CFFCDUCNLVGHPO-WCQYABFASA-N 2 0 248.374 1.395 20 0 BDADRP CO[C@H]1CCCN(CC[NH2+]C(C)(C)C)CC1 ZINC000666699914 487863169 /nfs/dbraw/zinc/86/31/69/487863169.db2.gz MCUPDLLWXWQBAK-LBPRGKRZSA-N 2 0 228.380 1.875 20 0 BDADRP [NH3+]CCC[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000666701904 487863134 /nfs/dbraw/zinc/86/31/34/487863134.db2.gz CFPMZZKXPCOHEE-ZDUSSCGKSA-N 2 0 238.306 1.628 20 0 BDADRP COc1cccc(C[NH2+]C[C@H](C)C[NH3+])c1F ZINC000666826682 487886941 /nfs/dbraw/zinc/88/69/41/487886941.db2.gz NLTYDPGUCMPVBK-SECBINFHSA-N 2 0 226.295 1.519 20 0 BDADRP C[C@H](C[NH3+])C[NH2+]Cc1nccc2ccccc21 ZINC000666825447 487887235 /nfs/dbraw/zinc/88/72/35/487887235.db2.gz FYOKDSZFVXLGHQ-LLVKDONJSA-N 2 0 229.327 1.919 20 0 BDADRP C[C@@H](C[NH3+])C[NH2+]Cc1cccc2cnccc21 ZINC000666826185 487887281 /nfs/dbraw/zinc/88/72/81/487887281.db2.gz PVYJVQZSJMWUMQ-NSHDSACASA-N 2 0 229.327 1.919 20 0 BDADRP CC(C)C[C@@H]([NH3+])CN[C@H]1CCC[NH2+]CC1 ZINC000666859014 487893275 /nfs/dbraw/zinc/89/32/75/487893275.db2.gz VOPOUUFLXWVVKX-NEPJUHHUSA-N 2 0 213.369 1.092 20 0 BDADRP Cc1ccc(O)c(C[N@@H+](C)CC2CN(C)C2)n1 ZINC000668539768 487905195 /nfs/dbraw/zinc/90/51/95/487905195.db2.gz LHCMTKMBPKYGLJ-UHFFFAOYSA-N 2 0 235.331 1.089 20 0 BDADRP C[C@@H](CC1CC1)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666953779 487916131 /nfs/dbraw/zinc/91/61/31/487916131.db2.gz HVOIEFCVJYTMST-JQWIXIFHSA-N 2 0 208.349 1.907 20 0 BDADRP COC[C@H](C)C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666953711 487916164 /nfs/dbraw/zinc/91/61/64/487916164.db2.gz FURLDCXCTFNTFL-GHMZBOCLSA-N 2 0 212.337 1.001 20 0 BDADRP CC[C@H](COC)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666954603 487917105 /nfs/dbraw/zinc/91/71/05/487917105.db2.gz YSEBIFZUDGRVHV-MNOVXSKESA-N 2 0 212.337 1.143 20 0 BDADRP COC[C@@H](C)C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666993785 487923554 /nfs/dbraw/zinc/92/35/54/487923554.db2.gz JVSFHRIJMRTNBY-NWDGAFQWSA-N 2 0 226.364 1.533 20 0 BDADRP CCC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1CC1 ZINC000381069656 487930680 /nfs/dbraw/zinc/93/06/80/487930680.db2.gz NUJIBFZSESSRGP-CYBMUJFWSA-N 2 0 228.380 1.562 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C)[C@@H]1C ZINC000381084277 487931000 /nfs/dbraw/zinc/93/10/00/487931000.db2.gz SGQJPHXDTOHHRY-FRRDWIJNSA-N 2 0 228.380 1.418 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)COC)[C@H](C)C1 ZINC000247161048 323012317 /nfs/dbraw/zinc/01/23/17/323012317.db2.gz UEJRSMKBGCPYOA-XQQFMLRXSA-N 2 0 228.380 1.589 20 0 BDADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000562962863 323036687 /nfs/dbraw/zinc/03/66/87/323036687.db2.gz UUZMCCOCFUTKAS-LOWVWBTDSA-N 2 0 248.374 1.657 20 0 BDADRP COC(=O)CC1([NH2+]CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000572726005 323037422 /nfs/dbraw/zinc/03/74/22/323037422.db2.gz DPJSGYLWMREFIP-LLVKDONJSA-N 2 0 240.347 1.156 20 0 BDADRP CNC(=O)[C@H](C)C[N@H+](C)CCc1ccncc1C ZINC000569718497 323038930 /nfs/dbraw/zinc/03/89/30/323038930.db2.gz BAHWPOZDXYYCAS-GFCCVEGCSA-N 2 0 249.358 1.246 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@]2(C)CCC[NH2+]2)cc1 ZINC000570264432 323054197 /nfs/dbraw/zinc/05/41/97/323054197.db2.gz JBKUUMWTYJPHSG-HZMBPMFUSA-N 2 0 247.342 1.787 20 0 BDADRP CS[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000570274620 323054517 /nfs/dbraw/zinc/05/45/17/323054517.db2.gz UXQQIRAUNFEBKI-QJPTWQEYSA-N 2 0 228.405 1.812 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC2(CCO)CCCC2)C1 ZINC000570649945 323066119 /nfs/dbraw/zinc/06/61/19/323066119.db2.gz NPRIAOCWJDODMP-CHWSQXEVSA-N 2 0 240.391 1.789 20 0 BDADRP C[C@@H](O)[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000562988587 323078311 /nfs/dbraw/zinc/07/83/11/323078311.db2.gz QCEHVTAPQZXZON-HZSPNIEDSA-N 2 0 242.407 1.857 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CCCC(C)(F)F ZINC000390066179 323083254 /nfs/dbraw/zinc/08/32/54/323083254.db2.gz BEPWVJBLROCHFY-JTQLQIEISA-N 2 0 238.322 1.765 20 0 BDADRP C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCCCO1 ZINC000390310894 323084273 /nfs/dbraw/zinc/08/42/73/323084273.db2.gz FWKQWDOFEUJTMM-XQQFMLRXSA-N 2 0 224.348 1.097 20 0 BDADRP C(C[NH+]1CCCC1)C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000563069732 323084541 /nfs/dbraw/zinc/08/45/41/323084541.db2.gz IWXDUIPBHNLEIR-KGLIPLIRSA-N 2 0 238.375 1.583 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccnc(N)c2)C1 ZINC000563154081 323095846 /nfs/dbraw/zinc/09/58/46/323095846.db2.gz FVBLLNLFYITXJJ-CMPLNLGQSA-N 2 0 234.347 1.053 20 0 BDADRP CC[NH+]1CCC(NCC[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000531727715 323111569 /nfs/dbraw/zinc/11/15/69/323111569.db2.gz JAYZHESMRIJNPG-CYBMUJFWSA-N 2 0 239.407 1.402 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H](CO)c2ccsc2)C1 ZINC000563423739 323124276 /nfs/dbraw/zinc/12/42/76/323124276.db2.gz IVBSAVIEKYECEP-UTUOFQBUSA-N 2 0 240.372 1.641 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CC2(CCO)CCC2)C1 ZINC000563426667 323126135 /nfs/dbraw/zinc/12/61/35/323126135.db2.gz VRQRYWHAROZKAJ-RYUDHWBXSA-N 2 0 226.364 1.399 20 0 BDADRP CC[NH+]1CCC(C[NH2+]C[C@H](O)C(C)(C)C)CC1 ZINC000310214347 323128593 /nfs/dbraw/zinc/12/85/93/323128593.db2.gz HYMWOEROBCLLSF-ZDUSSCGKSA-N 2 0 242.407 1.715 20 0 BDADRP C[C@@H]([NH3+])c1ccc(NC(=O)CCCC[NH3+])cc1 ZINC000563533884 323129493 /nfs/dbraw/zinc/12/94/93/323129493.db2.gz CKZGVTHBPUAEND-SNVBAGLBSA-N 2 0 235.331 1.774 20 0 BDADRP C[C@@H]1C[C@@H](NC[C@H]2CCC[NH+](C)C2)CC[N@@H+]1C ZINC000247982332 323133960 /nfs/dbraw/zinc/13/39/60/323133960.db2.gz INDOTURNRCUUBV-MCIONIFRSA-N 2 0 239.407 1.401 20 0 BDADRP CC(C)[NH2+]CCCNC1CC[NH+](C(C)C)CC1 ZINC000571073348 323134801 /nfs/dbraw/zinc/13/48/01/323134801.db2.gz WDVKBWCJYDMCNE-UHFFFAOYSA-N 2 0 241.423 1.837 20 0 BDADRP CCC[N@H+](C)CC(=O)NCc1ccc(C[NH3+])cc1 ZINC000571093078 323135237 /nfs/dbraw/zinc/13/52/37/323135237.db2.gz CBYWUMJFGLWOIU-UHFFFAOYSA-N 2 0 249.358 1.103 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)c1ccc(C[NH3+])cc1 ZINC000571089341 323135487 /nfs/dbraw/zinc/13/54/87/323135487.db2.gz RSORCPMLGBYZCR-ZJUUUORDSA-N 2 0 235.331 1.001 20 0 BDADRP CC[NH2+]CC1CC[NH+](Cc2n[nH]cc2C)CC1 ZINC000414654601 323150966 /nfs/dbraw/zinc/15/09/66/323150966.db2.gz CHARVEYJSTUGDZ-UHFFFAOYSA-N 2 0 236.363 1.540 20 0 BDADRP CCSCCN(C)CCC[NH+](C)C ZINC000308254892 323167336 /nfs/dbraw/zinc/16/73/36/323167336.db2.gz IHNHLKOLESHFQS-UHFFFAOYSA-N 2 0 204.383 1.623 20 0 BDADRP CC[NH+](CC)CCCN1CC[NH+](C(C)C)CC1 ZINC000113212707 323173580 /nfs/dbraw/zinc/17/35/80/323173580.db2.gz LZSAODTWLKGXEX-UHFFFAOYSA-N 2 0 241.423 1.744 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+]CC2(F)CC2)CC1 ZINC000308925870 323181692 /nfs/dbraw/zinc/18/16/92/323181692.db2.gz IGEMRESFVODEQF-UHFFFAOYSA-N 2 0 214.328 1.810 20 0 BDADRP C[C@@H]([NH2+]CC12CC(C1)CO2)[C@H]1CCC[NH2+]C1 ZINC000530218335 323217661 /nfs/dbraw/zinc/21/76/61/323217661.db2.gz FMSDWQNSUOJTBO-IGJPJIBNSA-N 2 0 224.348 1.143 20 0 BDADRP COc1ccc(CC[NH2+][C@@H]2CNCC[C@H]2C)cn1 ZINC000530218953 323217853 /nfs/dbraw/zinc/21/78/53/323217853.db2.gz IHPHXLORXFYZHQ-DGCLKSJQSA-N 2 0 249.358 1.220 20 0 BDADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000530219359 323218034 /nfs/dbraw/zinc/21/80/34/323218034.db2.gz JCFYTUCHFYXBLS-QWHCGFSZSA-N 2 0 249.358 1.492 20 0 BDADRP Cc1ncccc1C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000530219385 323218123 /nfs/dbraw/zinc/21/81/23/323218123.db2.gz JCJQXBKSBMQQOV-RISCZKNCSA-N 2 0 233.359 1.868 20 0 BDADRP COC[C@H](C)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000122603175 324050766 /nfs/dbraw/zinc/05/07/66/324050766.db2.gz HXDIZHICRZPJHC-SRVKXCTJSA-N 2 0 214.353 1.484 20 0 BDADRP CC[C@@H]([NH3+])C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000572517198 324174182 /nfs/dbraw/zinc/17/41/82/324174182.db2.gz FQMTYTKTCGXEMK-SDDRHHMPSA-N 2 0 241.379 1.103 20 0 BDADRP COC[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)C1CC1 ZINC000398069391 324216573 /nfs/dbraw/zinc/21/65/73/324216573.db2.gz YOEUQUAXIUVJBI-NEPJUHHUSA-N 2 0 212.337 1.143 20 0 BDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1CC=CC1 ZINC000530214164 324530458 /nfs/dbraw/zinc/53/04/58/324530458.db2.gz BRFLHMQVDRHVAF-AAEUAGOBSA-N 2 0 208.349 1.930 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CC12CC(C1)CO2 ZINC000530222584 324541313 /nfs/dbraw/zinc/54/13/13/324541313.db2.gz RQPFRAJBCMKQCO-QZQSVVMZSA-N 2 0 224.348 1.273 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1Cc2ccccc2NC1=O ZINC000530224862 324544778 /nfs/dbraw/zinc/54/47/78/324544778.db2.gz MWNTVBCSLSBIEW-ZWNOBZJWSA-N 2 0 247.342 1.267 20 0 BDADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)[C@H](C)O ZINC000564205498 324696917 /nfs/dbraw/zinc/69/69/17/324696917.db2.gz ZGJWNIYTXZQUJO-OLZOCXBDSA-N 2 0 228.380 1.611 20 0 BDADRP C[C@@H](O)[C@H](C)[NH2+]CCCCC[NH+]1CCCC1 ZINC000564205499 324696950 /nfs/dbraw/zinc/69/69/50/324696950.db2.gz ZGJWNIYTXZQUJO-QWHCGFSZSA-N 2 0 228.380 1.611 20 0 BDADRP COC[C@H]([NH2+]C[C@@H](C)N(C)C1CC1)C(C)C ZINC000131070549 325112483 /nfs/dbraw/zinc/11/24/83/325112483.db2.gz CUUDPJUVRAHGQV-YPMHNXCESA-N 2 0 228.380 1.730 20 0 BDADRP COC[C@H](C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000131903011 325190431 /nfs/dbraw/zinc/19/04/31/325190431.db2.gz HPEQPLBULCGKMK-RLAWYHOSSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H](C[NH+](C)C)N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132221754 325205082 /nfs/dbraw/zinc/20/50/82/325205082.db2.gz CAGDPJHWDCHYHU-BPNCWPANSA-N 2 0 233.359 1.671 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000133406966 325293959 /nfs/dbraw/zinc/29/39/59/325293959.db2.gz IYRVQPZFDDFCSY-TUAOUCFPSA-N 2 0 214.353 1.341 20 0 BDADRP CC[C@@H](CO)[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000253207724 325714646 /nfs/dbraw/zinc/71/46/46/325714646.db2.gz HNZZFHSYVRSVSB-WUHRBBMRSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)[C@H](C)O ZINC000564859569 325814960 /nfs/dbraw/zinc/81/49/60/325814960.db2.gz GUGBHICKTNINNW-MNOVXSKESA-N 2 0 226.364 1.362 20 0 BDADRP CC(C)N(CCO)CC[NH2+]C(C)(C)C ZINC000042480606 487970779 /nfs/dbraw/zinc/97/07/79/487970779.db2.gz UDUGHERYUQQEJD-UHFFFAOYSA-N 2 0 202.342 1.077 20 0 BDADRP C[NH+](C)C1CC([NH2+]C[C@@H]2CCCOC2)C1 ZINC000565216577 325878078 /nfs/dbraw/zinc/87/80/78/325878078.db2.gz FTCWWKFTHWUQKV-UNXYVOJBSA-N 2 0 212.337 1.095 20 0 BDADRP C[C@@H]([NH3+])CCC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000566201116 326011831 /nfs/dbraw/zinc/01/18/31/326011831.db2.gz XIWALSJMXBNXDB-GHMZBOCLSA-N 2 0 249.358 1.450 20 0 BDADRP COCC1(CC[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000566219094 326016610 /nfs/dbraw/zinc/01/66/10/326016610.db2.gz ALNNJYIWEUISRO-OLZOCXBDSA-N 2 0 240.391 1.875 20 0 BDADRP FC1(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000566229863 326018198 /nfs/dbraw/zinc/01/81/98/326018198.db2.gz PSTFNOIJHVZVNW-RYUDHWBXSA-N 2 0 226.339 1.810 20 0 BDADRP C[C@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000566245030 326022434 /nfs/dbraw/zinc/02/24/34/326022434.db2.gz XIXDRVJDWJVSFN-SMDDNHRTSA-N 2 0 233.359 1.185 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CCN1CC[NH2+]C(C)(C)C ZINC000566411511 326041403 /nfs/dbraw/zinc/04/14/03/326041403.db2.gz GZLZYHVAOKMDAR-MNOVXSKESA-N 2 0 213.369 1.186 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1cnccn1 ZINC000566302698 326031368 /nfs/dbraw/zinc/03/13/68/326031368.db2.gz KFIAEFROELAQJR-LBPRGKRZSA-N 2 0 234.347 1.298 20 0 BDADRP c1cc2c(cc1CN1CCC[NH2+]CC1)C[NH2+]CC2 ZINC000566351548 326036032 /nfs/dbraw/zinc/03/60/32/326036032.db2.gz OOBPZWPOWDCHEP-UHFFFAOYSA-N 2 0 245.370 1.128 20 0 BDADRP Cc1cccc(CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000566483336 326056349 /nfs/dbraw/zinc/05/63/49/326056349.db2.gz VBLHJMCRDWNMOJ-GXTWGEPZSA-N 2 0 233.359 1.792 20 0 BDADRP COCC[N@H+](C)CCC[NH2+][C@@H](C(C)C)C1CC1 ZINC000153791841 326113968 /nfs/dbraw/zinc/11/39/68/326113968.db2.gz RDTQGCYMXWITAD-AWEZNQCLSA-N 2 0 242.407 1.979 20 0 BDADRP C[C@@H](CCCC[NH3+])NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000567268650 326153830 /nfs/dbraw/zinc/15/38/30/326153830.db2.gz NQGPKOVUGUMTAC-SRVKXCTJSA-N 2 0 241.379 1.008 20 0 BDADRP CC(C)[NH2+]CCC(=O)N1CCCC[C@H]1CC[NH3+] ZINC000567572185 326219950 /nfs/dbraw/zinc/21/99/50/326219950.db2.gz GUXIUDDNTOVSRW-LBPRGKRZSA-N 2 0 241.379 1.104 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000567654265 326239345 /nfs/dbraw/zinc/23/93/45/326239345.db2.gz KIMJIOJPESNIMG-OLZOCXBDSA-N 3 0 223.364 1.156 20 0 BDADRP Cc1noc(C)c1CC[NH2+]CC1CC[NH2+]CC1 ZINC000567870776 326273718 /nfs/dbraw/zinc/27/37/18/326273718.db2.gz MKRQORKQODZIIJ-UHFFFAOYSA-N 2 0 237.347 1.423 20 0 BDADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CC2(F)CC2)CC1 ZINC000567870763 326273788 /nfs/dbraw/zinc/27/37/88/326273788.db2.gz LXMLSLORYRIKLA-NEPJUHHUSA-N 2 0 242.338 1.317 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCC[C@H](F)C1 ZINC000567894631 326278442 /nfs/dbraw/zinc/27/84/42/326278442.db2.gz KMWLZFZSFXMMIU-SRVKXCTJSA-N 2 0 232.343 1.611 20 0 BDADRP CC(C)COCC[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000158915669 326346040 /nfs/dbraw/zinc/34/60/40/326346040.db2.gz BGXGHNSZHSOVAP-NWDGAFQWSA-N 2 0 214.353 1.471 20 0 BDADRP CC[NH2+]CCCN[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000569106207 326390385 /nfs/dbraw/zinc/39/03/85/326390385.db2.gz UBGHLSGHZNTPOS-YPMHNXCESA-N 2 0 225.380 1.058 20 0 BDADRP C[C@H](CCC[NH3+])NC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000569104933 326390459 /nfs/dbraw/zinc/39/04/59/326390459.db2.gz OTOPDCWSIPVNPJ-RISCZKNCSA-N 2 0 249.358 1.104 20 0 BDADRP Cc1ccc(CC[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cn1 ZINC000569228141 326396113 /nfs/dbraw/zinc/39/61/13/326396113.db2.gz IGGLIGICCVQAIJ-DOMZBBRYSA-N 2 0 247.386 1.910 20 0 BDADRP CCN(CCO)CC[NH2+][C@H](C)CC(C)C ZINC000186578148 487988515 /nfs/dbraw/zinc/98/85/15/487988515.db2.gz ODMHEORUMYUIFF-GFCCVEGCSA-N 2 0 216.369 1.325 20 0 BDADRP CCOCc1ccccc1C[NH2+]CCC[NH3+] ZINC000135293328 488024241 /nfs/dbraw/zinc/02/42/41/488024241.db2.gz CYARFJIWYRAZSG-UHFFFAOYSA-N 2 0 222.332 1.662 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000227555450 488028484 /nfs/dbraw/zinc/02/84/84/488028484.db2.gz YXXWHIGHEYKVOE-XQHKEYJVSA-N 2 0 226.364 1.255 20 0 BDADRP CCN(Cc1cnn(C)c1)Cc1cnc(C)n1C ZINC000667551847 488043024 /nfs/dbraw/zinc/04/30/24/488043024.db2.gz ZJDQUFJIAHKHQD-UHFFFAOYSA-N 2 0 247.346 1.484 20 0 BDADRP CCCN1CC[C@H]([NH2+][C@H](C)CCCC[NH3+])C1 ZINC000389114250 488077248 /nfs/dbraw/zinc/07/72/48/488077248.db2.gz AYZULXPYBUMLNS-OLZOCXBDSA-N 2 0 227.396 1.578 20 0 BDADRP CCc1cccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000682517934 488089970 /nfs/dbraw/zinc/08/99/70/488089970.db2.gz LMZQLSWZWUKOMT-HUUCEWRRSA-N 2 0 230.355 1.900 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)Nc1cccc(C[NH3+])c1 ZINC000669508313 488109241 /nfs/dbraw/zinc/10/92/41/488109241.db2.gz DRDLIKLWTMHSTG-CYBMUJFWSA-N 2 0 235.331 1.601 20 0 BDADRP C[C@H]1C[C@@H]1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000683110343 488111508 /nfs/dbraw/zinc/11/15/08/488111508.db2.gz MLPJNRMKPAOPIS-QWHCGFSZSA-N 2 0 231.343 1.860 20 0 BDADRP [NH3+][C@H](CNC(=O)CC1([NH3+])CCC1)c1ccccc1 ZINC000669510681 488113442 /nfs/dbraw/zinc/11/34/42/488113442.db2.gz PMOVJDXNRFMWOI-GFCCVEGCSA-N 2 0 247.342 1.074 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000403256603 488119261 /nfs/dbraw/zinc/11/92/61/488119261.db2.gz WIVICTCFFSCFKT-RQJABVFESA-N 2 0 222.376 1.964 20 0 BDADRP C[C@H]1OCC[C@@]1(C)[NH2+]CCN1CCC(C)CC1 ZINC000683146789 488120162 /nfs/dbraw/zinc/12/01/62/488120162.db2.gz NWFIHXCSCOHLFJ-ZIAGYGMSSA-N 2 0 240.391 1.875 20 0 BDADRP C[C@H](O)C1([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000668699695 488132562 /nfs/dbraw/zinc/13/25/62/488132562.db2.gz QMMHGOJDOWJCOZ-NSHDSACASA-N 2 0 238.375 1.364 20 0 BDADRP C[N@H+](CCOC(C)(C)C)C[C@@H]1CC[NH2+]C1 ZINC000382751875 487550354 /nfs/dbraw/zinc/55/03/54/487550354.db2.gz HDNUJRCHSICWIH-LLVKDONJSA-N 2 0 214.353 1.343 20 0 BDADRP CC[N@H+](C[C@H]1CCOC1)CC1CC[NH2+]CC1 ZINC000086701877 487533050 /nfs/dbraw/zinc/53/30/50/487533050.db2.gz IGXWMRDLULNTGC-CYBMUJFWSA-N 2 0 226.364 1.344 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000161076370 487476065 /nfs/dbraw/zinc/47/60/65/487476065.db2.gz GMINUGIBYOCZTR-YPMHNXCESA-N 2 0 241.379 1.104 20 0 BDADRP CCN(CC[NH3+])Cc1cc(OC)cc(OC)c1 ZINC000231819434 487477801 /nfs/dbraw/zinc/47/78/01/487477801.db2.gz BHJSVYCBMIDNHH-UHFFFAOYSA-N 2 0 238.331 1.484 20 0 BDADRP [NH3+]Cc1ccc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000295017703 487478401 /nfs/dbraw/zinc/47/84/01/487478401.db2.gz MUTNQJBMZUXYCS-QWHCGFSZSA-N 2 0 247.342 1.145 20 0 BDADRP CC[C@@H](C)C[N@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000381070526 487494647 /nfs/dbraw/zinc/49/46/47/487494647.db2.gz ODOVMOSXVAJKIG-CHWSQXEVSA-N 2 0 230.396 1.665 20 0 BDADRP C[N@H+](CCC(C)(C)C1CC1)C[C@@H](O)C[NH3+] ZINC000405951006 487496545 /nfs/dbraw/zinc/49/65/45/487496545.db2.gz GCMUXZLXEMWQLD-NSHDSACASA-N 2 0 214.353 1.064 20 0 BDADRP CCN(C)C[C@H](O)C[N@@H+]1C[C@H](C)[C@@H](C)[C@H]1C ZINC000399710070 487496707 /nfs/dbraw/zinc/49/67/07/487496707.db2.gz YIHFSEHRVWDOMB-LOWDOPEQSA-N 2 0 228.380 1.275 20 0 BDADRP Cn1ncc2c1CCC[C@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000094010016 487503489 /nfs/dbraw/zinc/50/34/89/487503489.db2.gz NFKVRZBBBXWOGO-CYBMUJFWSA-N 2 0 248.374 1.387 20 0 BDADRP [NH3+]Cc1cccc(NC(=O)[C@@H]2CCC[NH2+]C2)c1 ZINC000169816013 487507915 /nfs/dbraw/zinc/50/79/15/487507915.db2.gz VKTZGTKLUHEPGE-LLVKDONJSA-N 2 0 233.315 1.083 20 0 BDADRP Cc1nocc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000662267806 487509714 /nfs/dbraw/zinc/50/97/14/487509714.db2.gz YTQJAHXYBKQJPR-WCFLWFBJSA-N 2 0 235.331 1.542 20 0 BDADRP C[NH+](C)C[C@H]1CCCCN1C(=O)CC(C)(C)[NH3+] ZINC000404903096 487518032 /nfs/dbraw/zinc/51/80/32/487518032.db2.gz XPUKFLICVUVQJH-LLVKDONJSA-N 2 0 241.379 1.057 20 0 BDADRP C[C@@H](O)C[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000666128661 487524826 /nfs/dbraw/zinc/52/48/26/487524826.db2.gz SXTZWCJYUFAAKD-FRRDWIJNSA-N 2 0 228.380 1.325 20 0 BDADRP C[C@@H](O)C[NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000666128663 487525020 /nfs/dbraw/zinc/52/50/20/487525020.db2.gz SXTZWCJYUFAAKD-RWMBFGLXSA-N 2 0 228.380 1.325 20 0 BDADRP C[C@H](O)C[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000666128664 487525140 /nfs/dbraw/zinc/52/51/40/487525140.db2.gz SXTZWCJYUFAAKD-UPJWGTAASA-N 2 0 228.380 1.325 20 0 BDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1C ZINC000379894183 488154492 /nfs/dbraw/zinc/15/44/92/488154492.db2.gz BLHCZAIPLLPPFD-NWDGAFQWSA-N 2 0 214.353 1.172 20 0 BDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCCc1cncn1C ZINC000314401036 487665427 /nfs/dbraw/zinc/66/54/27/487665427.db2.gz TWNBSKUCMBUXCO-VXGBXAGGSA-N 2 0 236.363 1.022 20 0 BDADRP C[C@@H]1CCC[C@@H]1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000230672358 488135804 /nfs/dbraw/zinc/13/58/04/488135804.db2.gz UOTXHTIYSYPJDT-MGPQQGTHSA-N 2 0 240.391 1.469 20 0 BDADRP [NH3+][C@@H]1CCC[C@H](NCCC[NH+]2CCCCC2)C1 ZINC000093210225 488139412 /nfs/dbraw/zinc/13/94/12/488139412.db2.gz BWMSSJYTMXYMHS-KGLIPLIRSA-N 2 0 239.407 1.722 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCc2ccnn2C)C1 ZINC000230745405 488150617 /nfs/dbraw/zinc/15/06/17/488150617.db2.gz YUFSOXGFYOSGNG-RYUDHWBXSA-N 2 0 236.363 1.022 20 0 BDADRP Cc1nccn1CCCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000678073009 488190762 /nfs/dbraw/zinc/19/07/62/488190762.db2.gz HSNQEFWAMVTGLZ-ZIAGYGMSSA-N 2 0 248.374 1.123 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](CCO)C1 ZINC000678075738 488191261 /nfs/dbraw/zinc/19/12/61/488191261.db2.gz NYRUHSRJLSKCRM-ZIAGYGMSSA-N 2 0 240.391 1.565 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+](CCCO)C1CC1 ZINC000678077151 488192035 /nfs/dbraw/zinc/19/20/35/488192035.db2.gz KAYFLPXHAHDHDW-LBPRGKRZSA-N 2 0 226.364 1.318 20 0 BDADRP Cn1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)n1 ZINC000683706476 488210983 /nfs/dbraw/zinc/21/09/83/488210983.db2.gz KMUQLXMAVCEXFS-UHFFFAOYSA-N 2 0 248.374 1.384 20 0 BDADRP COC[C@]1(C)CC[N@H+](Cc2cnc3n2CCC3)C1 ZINC000668203783 488223625 /nfs/dbraw/zinc/22/36/25/488223625.db2.gz SSDMHPWNWMRKKX-CQSZACIVSA-N 2 0 249.358 1.688 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@H](CO)CC2CC2)CN1C1CC1 ZINC000678608377 488272010 /nfs/dbraw/zinc/27/20/10/488272010.db2.gz WHZBEZTVYXNHEU-RTXFEEFZSA-N 2 0 238.375 1.362 20 0 BDADRP CC[NH+]1CCC(C[NH2+][C@@H](C)CCCCO)CC1 ZINC000679340461 488341618 /nfs/dbraw/zinc/34/16/18/488341618.db2.gz TWYICKDPLMPPHQ-ZDUSSCGKSA-N 2 0 242.407 1.859 20 0 BDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H](C)[NH+](C)C ZINC000078695826 490057772 /nfs/dbraw/zinc/05/77/72/490057772.db2.gz CIYHYXJTRSXDBS-RYUDHWBXSA-N 2 0 243.395 1.029 20 0 BDADRP CC[C@H](CC(F)F)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000659851299 490093319 /nfs/dbraw/zinc/09/33/19/490093319.db2.gz YPHSSMYOJJSZOB-GMTAPVOTSA-N 2 0 232.318 1.819 20 0 BDADRP C[C@H]1C[C@H](NCC(C)(C)[NH+](C)C)CC[N@@H+]1C ZINC000129581443 490153521 /nfs/dbraw/zinc/15/35/21/490153521.db2.gz OHFDPZZSPDUQRH-NWDGAFQWSA-N 2 0 227.396 1.399 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCS[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000307018186 490251213 /nfs/dbraw/zinc/25/12/13/490251213.db2.gz TUILWTYLTGPIMF-XWLWVQCSSA-N 2 0 214.378 1.611 20 0 BDADRP C[NH+](C)CC1CC[NH+]([C@@H]2COC(C)(C)C2)CC1 ZINC000659843492 490269955 /nfs/dbraw/zinc/26/99/55/490269955.db2.gz ADKJLGVMWSRVIH-ZDUSSCGKSA-N 2 0 240.391 1.828 20 0 BDADRP CN(C)c1cccc(C[N@H+](C)C[C@@H]2CC[NH2+]C2)c1 ZINC000647990380 490359362 /nfs/dbraw/zinc/35/93/62/490359362.db2.gz UYKIQHPYLFMDHH-CQSZACIVSA-N 2 0 247.386 1.794 20 0 BDADRP CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000125289413 490427044 /nfs/dbraw/zinc/42/70/44/490427044.db2.gz SHQCXOTXGCTEPI-UHFFFAOYSA-N 2 0 205.305 1.614 20 0 BDADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(O)CCCC2)[C@H](C)C1 ZINC000305112949 490437524 /nfs/dbraw/zinc/43/75/24/490437524.db2.gz GQYLQMJBXMFWBQ-CHWSQXEVSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1CC[C@H](O)C1)C1CC[NH+](C)CC1 ZINC000300422926 490561476 /nfs/dbraw/zinc/56/14/76/490561476.db2.gz VRJJHMKAFGRBHF-SCRDCRAPSA-N 2 0 240.391 1.467 20 0 BDADRP Cn1cncc1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000401633304 490582384 /nfs/dbraw/zinc/58/23/84/490582384.db2.gz BEWQCXFPXYADHA-CHWSQXEVSA-N 2 0 248.374 1.179 20 0 BDADRP COc1ccc(C[NH2+][C@@H](C)C2C[NH2+]C2)c(C)c1 ZINC000643467455 491068749 /nfs/dbraw/zinc/06/87/49/491068749.db2.gz IEKKGJZUKNGPMC-NSHDSACASA-N 2 0 234.343 1.701 20 0 BDADRP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)C(C)(C)O ZINC000087818578 491092781 /nfs/dbraw/zinc/09/27/81/491092781.db2.gz GKYKWECOSWGIPX-LLVKDONJSA-N 2 0 242.407 1.998 20 0 BDADRP C[N@@H+]1CCCC[C@@H]1CCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090322371 491124442 /nfs/dbraw/zinc/12/44/42/491124442.db2.gz WEHLWPKLUSTSML-HZSPNIEDSA-N 2 0 237.391 1.012 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1CCOC1)C1CC[NH+](C)CC1 ZINC000230410430 491130002 /nfs/dbraw/zinc/13/00/02/491130002.db2.gz ZGWOFHNKPYJPHS-CHWSQXEVSA-N 2 0 240.391 1.733 20 0 BDADRP C[NH+]1CCC(CC[NH2+]C2CSC2)CC1 ZINC000308501579 491136695 /nfs/dbraw/zinc/13/66/95/491136695.db2.gz GVUADHBEYKRYIZ-UHFFFAOYSA-N 2 0 214.378 1.423 20 0 BDADRP COC1(C[NH2+]C[C@H]2CCC[N@H+](C)C2)CCCC1 ZINC000310335519 491161093 /nfs/dbraw/zinc/16/10/93/491161093.db2.gz MRGSISYEFFRETH-CYBMUJFWSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@H](CCCC[NH3+])NC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000494669511 533842563 /nfs/dbraw/zinc/84/25/63/533842563.db2.gz BXVWVFWJSKLNPY-DGCLKSJQSA-N 2 0 241.379 1.010 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCSC1)[C@@H]1CCC[NH2+]1 ZINC000400370763 533907608 /nfs/dbraw/zinc/90/76/08/533907608.db2.gz AIIOVTMWDGJVSH-AXFHLTTASA-N 2 0 214.378 1.470 20 0 BDADRP C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1CCC[NH2+]1 ZINC000400358526 533988651 /nfs/dbraw/zinc/98/86/51/533988651.db2.gz BFVOKIRQKHPTGC-DGAVXFQQSA-N 2 0 237.391 1.343 20 0 BDADRP C[C@H](CNC(=[NH2+])N1CCCCC1)[NH+]1CCCC1 ZINC000848986527 582817275 /nfs/dbraw/zinc/81/72/75/582817275.db2.gz BKFBXGFICZAEGP-GFCCVEGCSA-N 2 0 238.379 1.481 20 0 BDADRP CN1CC[C@@H]2CC[N@H+](CC3CC[NH2+]CC3)[C@@H]2C1 ZINC000261803613 536463713 /nfs/dbraw/zinc/46/37/13/536463713.db2.gz HDHQBPMCOYMPGA-ZIAGYGMSSA-N 2 0 237.391 1.012 20 0 BDADRP COC[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000178972766 536524491 /nfs/dbraw/zinc/52/44/91/536524491.db2.gz MGNHTAIIFIKDKM-ZDUSSCGKSA-N 2 0 226.364 1.344 20 0 BDADRP CCC[NH+]1CCC(N[C@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000400495805 528203483 /nfs/dbraw/zinc/20/34/83/528203483.db2.gz AWCHSKNKSVCZHJ-TZMCWYRMSA-N 2 0 239.407 1.591 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000414662233 528552521 /nfs/dbraw/zinc/55/25/21/528552521.db2.gz QRKVHUGOXHQXJQ-UPJWGTAASA-N 2 0 227.396 1.419 20 0 BDADRP CC(C)[N@@H+](C)C[C@@H](C)N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400337201 528829351 /nfs/dbraw/zinc/82/93/51/528829351.db2.gz GLBKPGAOWRIHRY-AGIUHOORSA-N 2 0 227.396 1.445 20 0 BDADRP CCC(O)(CC)CC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000471760317 528965835 /nfs/dbraw/zinc/96/58/35/528965835.db2.gz QEZMAZHENFBZQS-STQMWFEESA-N 2 0 242.407 2.000 20 0 BDADRP CC[N@@H+]1CCC[C@H](C[NH2+]CC(C)(C)COC)C1 ZINC000494158924 529085422 /nfs/dbraw/zinc/08/54/22/529085422.db2.gz ARWFFTIULBWORB-CYBMUJFWSA-N 2 0 242.407 1.981 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400359298 529327462 /nfs/dbraw/zinc/32/74/62/529327462.db2.gz CLICCKGNOVGJJG-QJPTWQEYSA-N 2 0 214.353 1.125 20 0 BDADRP CC(C)[NH+]1CCC([NH2+]CC(C)(C)CCO)CC1 ZINC000224395625 535161949 /nfs/dbraw/zinc/16/19/49/535161949.db2.gz MQPAZRXFSMUVIK-UHFFFAOYSA-N 2 0 242.407 1.857 20 0 BDADRP CC(C)COCC[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000261591124 535177152 /nfs/dbraw/zinc/17/71/52/535177152.db2.gz VBQZYCBCAHQAHS-LBPRGKRZSA-N 2 0 228.380 1.637 20 0 BDADRP CC(C)COCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261581747 535177541 /nfs/dbraw/zinc/17/75/41/535177541.db2.gz NWCJIWQYEZSGSL-STQMWFEESA-N 2 0 226.364 1.200 20 0 BDADRP CC(C)[C@H]1CN(C[C@]2(C)CC[NH2+]C2)CC[N@@H+]1C ZINC000261716673 535238146 /nfs/dbraw/zinc/23/81/46/535238146.db2.gz FFDPNGIOEKEVCC-ZIAGYGMSSA-N 2 0 239.407 1.258 20 0 BDADRP CCC[N@H+](CC)CCN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000217703773 535300914 /nfs/dbraw/zinc/30/09/14/535300914.db2.gz QTRQVUORPDARPM-KGLIPLIRSA-N 2 0 241.423 1.825 20 0 BDADRP CC1(C)CC[C@@H]1[NH2+]CC1CC[NH+](CCO)CC1 ZINC000342691828 535323096 /nfs/dbraw/zinc/32/30/96/535323096.db2.gz WIPOXZYVBVECSG-ZDUSSCGKSA-N 2 0 240.391 1.469 20 0 BDADRP CC[NH2+][C@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000250647242 535516769 /nfs/dbraw/zinc/51/67/69/535516769.db2.gz OGCXBMZPWNQLFE-OLZOCXBDSA-N 2 0 228.380 1.733 20 0 BDADRP CCSCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261527425 535685076 /nfs/dbraw/zinc/68/50/76/535685076.db2.gz BALVWQWTFLTEGA-HBNTYKKESA-N 2 0 214.378 1.409 20 0 BDADRP C[NH+](C)CCCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000084216628 535832317 /nfs/dbraw/zinc/83/23/17/535832317.db2.gz LUJFIKGVGYHZLN-OLZOCXBDSA-N 3 0 227.396 1.435 20 0 BDADRP CC[C@@H]1CO[C@H](C)C[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000084385119 535850940 /nfs/dbraw/zinc/85/09/40/535850940.db2.gz LKIVFLXEFCMGGZ-FRRDWIJNSA-N 2 0 226.364 1.485 20 0 BDADRP CC[C@@H]1CO[C@H](C)C[N@@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261542840 535853756 /nfs/dbraw/zinc/85/37/56/535853756.db2.gz QQAGEOOBHRBZGQ-AAVRWANBSA-N 2 0 240.391 1.874 20 0 BDADRP CC[C@H](O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000183871884 535977133 /nfs/dbraw/zinc/97/71/33/535977133.db2.gz CTQWRCHOOQOOKN-WVMKXHBISA-N 2 0 226.364 1.362 20 0 BDADRP CC[C@H](O)CC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000253011994 535978498 /nfs/dbraw/zinc/97/84/98/535978498.db2.gz CWXDTIMBXKHQQS-SDDRHHMPSA-N 2 0 214.353 1.255 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000251076540 536092009 /nfs/dbraw/zinc/09/20/09/536092009.db2.gz KRIBUFXQKPPORH-XJFOESAGSA-N 2 0 242.407 1.713 20 0 BDADRP C[N@H+](CCC[NH3+])[C@@H]1CCc2ccccc21 ZINC000227743084 536342907 /nfs/dbraw/zinc/34/29/07/536342907.db2.gz FMCFCZVZORQVAU-CYBMUJFWSA-N 2 0 204.317 1.955 20 0 BDADRP CN1CCC([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000084215958 536344716 /nfs/dbraw/zinc/34/47/16/536344716.db2.gz IAONFDYUWWRLCP-DGCLKSJQSA-N 2 0 225.380 1.188 20 0 BDADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](CO)C1 ZINC000225974708 536357215 /nfs/dbraw/zinc/35/72/15/536357215.db2.gz AFBUHSODFOFKFZ-OLZOCXBDSA-N 2 0 226.364 1.175 20 0 BDADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](O)CC1 ZINC000335888803 536389672 /nfs/dbraw/zinc/38/96/72/536389672.db2.gz XVRYKUDFYAFNHO-STQMWFEESA-N 2 0 226.364 1.318 20 0 BDADRP C[N@H+](CCOCC1CC1)CC1CC[NH2+]CC1 ZINC000087399731 536393823 /nfs/dbraw/zinc/39/38/23/536393823.db2.gz JZYFNPQPCVMWSX-UHFFFAOYSA-N 2 0 226.364 1.344 20 0 BDADRP C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000261865151 536398862 /nfs/dbraw/zinc/39/88/62/536398862.db2.gz YYJGZTXCZDCHBW-IJLUTSLNSA-N 2 0 241.379 1.008 20 0 BDADRP C[NH2+][C@H](C)CNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000261865149 536399212 /nfs/dbraw/zinc/39/92/12/536399212.db2.gz YYJGZTXCZDCHBW-GRYCIOLGSA-N 2 0 241.379 1.008 20 0 BDADRP CO[C@H]1CCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000347713944 536707710 /nfs/dbraw/zinc/70/77/10/536707710.db2.gz XTWSANDGDOFEKC-KGLIPLIRSA-N 2 0 240.391 1.972 20 0 BDADRP CO[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)CC[C@H]1C ZINC000261534199 536729919 /nfs/dbraw/zinc/72/99/19/536729919.db2.gz ORDVUJSXEXLFQQ-FRRDWIJNSA-N 2 0 226.364 1.343 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000248841429 536877653 /nfs/dbraw/zinc/87/76/53/536877653.db2.gz NZQAICPEASKCPZ-RNJOBUHISA-N 2 0 226.364 1.626 20 0 BDADRP C[C@@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)C[C@H](C)O ZINC000398641820 583158883 /nfs/dbraw/zinc/15/88/83/583158883.db2.gz VARWCTFWWKYXPZ-FRRDWIJNSA-N 2 0 242.407 1.713 20 0 BDADRP CN(C)c1ccnc(N[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000853232167 588728116 /nfs/dbraw/zinc/72/81/16/588728116.db2.gz UOSDYDNGUISQDX-SNVBAGLBSA-N 2 0 247.346 1.191 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCC1SCCS1 ZINC000854230292 588781037 /nfs/dbraw/zinc/78/10/37/588781037.db2.gz LYNIGMLFQCDGSQ-IUCAKERBSA-N 2 0 234.434 1.898 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1C[C@@H](O)c2ccccc21 ZINC000854228541 588780846 /nfs/dbraw/zinc/78/08/46/588780846.db2.gz AFUJGEUKUFJHKA-TXFQPVFDSA-N 2 0 234.343 1.880 20 0 BDADRP C[C@@H]1COCC[C@@H]1[NH2+]CCCCCC[NH3+] ZINC000843343252 582524143 /nfs/dbraw/zinc/52/41/43/582524143.db2.gz YKFILHBXCXSANC-NEPJUHHUSA-N 2 0 214.353 1.520 20 0 BDADRP CCC[NH+]1CCC(Nc2cc[nH+]cc2CO)CC1 ZINC000891582609 582698937 /nfs/dbraw/zinc/69/89/37/582698937.db2.gz UFFOMMIIWISFLL-UHFFFAOYSA-N 2 0 249.358 1.282 20 0 BDADRP C[C@H]1COCC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000892077249 582785752 /nfs/dbraw/zinc/78/57/52/582785752.db2.gz PLBOJVGDIQUSMU-GFCCVEGCSA-N 2 0 226.364 1.297 20 0 BDADRP Cc1ccc(CC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1C ZINC000892251870 582813364 /nfs/dbraw/zinc/81/33/64/582813364.db2.gz KYOQPZTVJMRHNM-HZPDHXFCSA-N 2 0 244.382 1.997 20 0 BDADRP CC[C@H](C)NC(=[NH2+])NCC[N@H+](C)C1CCCC1 ZINC000849006314 582822463 /nfs/dbraw/zinc/82/24/63/582822463.db2.gz VUEZPHSPJRFEGW-NSHDSACASA-N 2 0 240.395 1.773 20 0 BDADRP Cn1ccc(C[N@H+](C)C2CCC([NH3+])CC2)n1 ZINC000123782401 582851506 /nfs/dbraw/zinc/85/15/06/582851506.db2.gz KLCZLFKQLULGSC-UHFFFAOYSA-N 2 0 222.336 1.122 20 0 BDADRP C[C@H]1CC[C@@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000783244408 582953273 /nfs/dbraw/zinc/95/32/73/582953273.db2.gz UHZGQHHOAHWQFT-JSGCOSHPSA-N 2 0 239.407 1.401 20 0 BDADRP CO[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H]([NH+](C)C)CC2)C1 ZINC000851985997 582989973 /nfs/dbraw/zinc/98/99/73/582989973.db2.gz YHEGXZMGQVULRG-HZSPNIEDSA-N 2 0 240.391 1.970 20 0 BDADRP C[C@@H]1C[C@H](Nc2cc[nH+]cc2CO)C[N@@H+]1C1CC1 ZINC000892875630 583001810 /nfs/dbraw/zinc/00/18/10/583001810.db2.gz HEOIOACYRPJDHV-PWSUYJOCSA-N 2 0 247.342 1.033 20 0 BDADRP CC[C@H](C[C@@H](C)CO)[NH2+]CC1CC[NH+](C)CC1 ZINC000893075324 583041978 /nfs/dbraw/zinc/04/19/78/583041978.db2.gz ZYMGSTOVOVNVRQ-TZMCWYRMSA-N 2 0 242.407 1.715 20 0 BDADRP CC(C)C[N@H+](C)CCCNCc1ccnn1C ZINC000651866762 583147228 /nfs/dbraw/zinc/14/72/28/583147228.db2.gz QJBDJYBNCKMMPM-UHFFFAOYSA-N 2 0 238.379 1.488 20 0 BDADRP CCn1cc(CC[N@@H+]2CCC[C@H](C[NH3+])C2)cn1 ZINC000857083672 588886499 /nfs/dbraw/zinc/88/64/99/588886499.db2.gz GXEAITHUBFFTNG-GFCCVEGCSA-N 2 0 236.363 1.116 20 0 BDADRP CC[C@@]1(C)COCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000893668084 583192278 /nfs/dbraw/zinc/19/22/78/583192278.db2.gz CQLGPJIOCWSTQZ-AWEZNQCLSA-N 2 0 240.391 1.829 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@H]2CCn3ccnc3C2)CC1 ZINC000893706353 583206375 /nfs/dbraw/zinc/20/63/75/583206375.db2.gz DDFIIXQCSRQTBM-CYBMUJFWSA-N 2 0 248.374 1.129 20 0 BDADRP CCc1cc(N[C@@H](C)C[NH+](C)C)nc(CC)n1 ZINC000893857324 583233910 /nfs/dbraw/zinc/23/39/10/583233910.db2.gz NDOXVOQWUQEFTQ-JTQLQIEISA-N 2 0 236.363 1.963 20 0 BDADRP [NH3+]CCCCCCC[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000857087562 588886757 /nfs/dbraw/zinc/88/67/57/588886757.db2.gz UKRQEVATEPUGQP-ZIAGYGMSSA-N 3 0 239.407 1.709 20 0 BDADRP [NH3+][C@]12CCC[C@H]1CN(C/C=C/Cl)C2 ZINC000857086134 588886984 /nfs/dbraw/zinc/88/69/84/588886984.db2.gz RRSVUIAUKASXRP-PSJTYZLDSA-N 2 0 200.713 1.552 20 0 BDADRP CC(C)[N@@H+](C)C[C@@H](C)Nc1nccn2cncc12 ZINC000893914379 583246277 /nfs/dbraw/zinc/24/62/77/583246277.db2.gz NVHOVYKONRXSLW-LLVKDONJSA-N 2 0 247.346 1.870 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCC23CCOCC3)CC1 ZINC000894047897 583287964 /nfs/dbraw/zinc/28/79/64/583287964.db2.gz FBYJVRGLZUPXEN-UHFFFAOYSA-N 2 0 238.375 1.583 20 0 BDADRP CC(=O)OC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000894454884 583464396 /nfs/dbraw/zinc/46/43/96/583464396.db2.gz BJCARHCSKMQFHI-YPMHNXCESA-N 2 0 242.363 1.258 20 0 BDADRP CC[N@H+](CCC[NH+](C)C)Cc1cc[nH]c(=O)c1 ZINC000894472254 583469421 /nfs/dbraw/zinc/46/94/21/583469421.db2.gz RCWAIMGPKGKYEI-UHFFFAOYSA-N 2 0 237.347 1.561 20 0 BDADRP CC1(C)C[C@@H](C[NH2+]Cc2cnc[nH]2)CCO1 ZINC000894966178 583560015 /nfs/dbraw/zinc/56/00/15/583560015.db2.gz KBXJXWNFDQOXNF-JTQLQIEISA-N 2 0 223.320 1.705 20 0 BDADRP CC(C)c1nccc(N[C@@H]2Cc3cncn3C2)n1 ZINC000894995830 583566002 /nfs/dbraw/zinc/56/60/02/583566002.db2.gz HEPIARIWEPNBPH-SNVBAGLBSA-N 2 0 243.314 1.833 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@H]2CCCc3cn[nH]c32)CC1 ZINC000857852952 588913614 /nfs/dbraw/zinc/91/36/14/588913614.db2.gz HLJUYWIVZRTOMJ-CYBMUJFWSA-N 2 0 248.374 1.719 20 0 BDADRP CC(=O)OC[C@H](C)[NH2+]CCC[N@@H+](C)CC(C)C ZINC000895136850 583602262 /nfs/dbraw/zinc/60/22/62/583602262.db2.gz LKRBKEFAKWUUBN-LBPRGKRZSA-N 2 0 244.379 1.506 20 0 BDADRP C[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000335064899 583605341 /nfs/dbraw/zinc/60/53/41/583605341.db2.gz XLWNWGJQAXRZPG-HZMBPMFUSA-N 2 0 232.327 1.557 20 0 BDADRP Cc1ncoc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000895187113 583619543 /nfs/dbraw/zinc/61/95/43/583619543.db2.gz KFYPOMMPHRSFMP-PHIMTYICSA-N 2 0 223.320 1.413 20 0 BDADRP CC[C@H](C)[C@@H](C[NH2+]CC[C@H](C)[NH+](C)C)OC ZINC000895291670 583636911 /nfs/dbraw/zinc/63/69/11/583636911.db2.gz AHMXWBDAWYOUPD-RWMBFGLXSA-N 2 0 230.396 1.977 20 0 BDADRP CC1=NO[C@H](CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000895302967 583644938 /nfs/dbraw/zinc/64/49/38/583644938.db2.gz XZGMUNKUIHBKGN-NEPJUHHUSA-N 2 0 239.363 1.614 20 0 BDADRP C[NH+]1CCC(C[NH2+]CC[C@@H]2CCCOC2)CC1 ZINC000895561709 583691441 /nfs/dbraw/zinc/69/14/41/583691441.db2.gz SDWIMSSAEOICBM-AWEZNQCLSA-N 2 0 240.391 1.735 20 0 BDADRP Cc1nc(C)c(C)c(N[C@@H]2CC[N@H+](C)[C@H]2C)n1 ZINC000895741036 583714294 /nfs/dbraw/zinc/71/42/94/583714294.db2.gz XEBSLTQNQUJWLL-CMPLNLGQSA-N 2 0 234.347 1.906 20 0 BDADRP CC(C)[C@@H](C(=O)NCC(C)(C)[NH+](C)C)[C@H](C)[NH3+] ZINC000399456482 583794788 /nfs/dbraw/zinc/79/47/88/583794788.db2.gz PVAVOQMRRXITOX-WDEREUQCSA-N 2 0 243.395 1.062 20 0 BDADRP C[NH+]1CCC(C[N@@H+]2CCn3cccc3C2)CC1 ZINC000896764484 583831250 /nfs/dbraw/zinc/83/12/50/583831250.db2.gz ZFCLTJWAMDCALC-UHFFFAOYSA-N 2 0 233.359 1.646 20 0 BDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccnc(F)c2)C1 ZINC000858186112 588937618 /nfs/dbraw/zinc/93/76/18/588937618.db2.gz QSVGETNWXYBGFE-TXEJJXNPSA-N 2 0 237.322 1.651 20 0 BDADRP CCO[C@H]1CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000897061317 583875351 /nfs/dbraw/zinc/87/53/51/583875351.db2.gz IBUFRBOIBFDRIQ-ZDUSSCGKSA-N 2 0 226.364 1.439 20 0 BDADRP CC(C)[NH+]1CCC(Nc2cc[nH+]c(CO)c2)CC1 ZINC000858323048 588945329 /nfs/dbraw/zinc/94/53/29/588945329.db2.gz AKKPKAYMWCHERE-UHFFFAOYSA-N 2 0 249.358 1.859 20 0 BDADRP C[C@@H]1CCC[N@H+](CCNc2cc[nH+]c(CO)c2)C1 ZINC000858349619 588948165 /nfs/dbraw/zinc/94/81/65/588948165.db2.gz MKDFBWCTLIDLFV-GFCCVEGCSA-N 2 0 249.358 1.718 20 0 BDADRP OCc1cc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc[nH+]1 ZINC000858355831 588948205 /nfs/dbraw/zinc/94/82/05/588948205.db2.gz WNGXHJPZPGOEGY-JSGCOSHPSA-N 2 0 247.342 1.613 20 0 BDADRP OCc1cc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc[nH+]1 ZINC000858355830 588948209 /nfs/dbraw/zinc/94/82/09/588948209.db2.gz WNGXHJPZPGOEGY-GXTWGEPZSA-N 2 0 247.342 1.613 20 0 BDADRP CC(C)[N@@H+]1CC[C@@H](CNc2cc[nH+]c(CO)c2)C1 ZINC000858367387 588948892 /nfs/dbraw/zinc/94/88/92/588948892.db2.gz NTOVRMRFYZEOES-LBPRGKRZSA-N 2 0 249.358 1.716 20 0 BDADRP C[C@H]1CN(C2CC2)C[C@H]1[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897819455 584051520 /nfs/dbraw/zinc/05/15/20/584051520.db2.gz SCSIVNUNMSJVIV-RQXNJEPCSA-N 2 0 248.370 1.235 20 0 BDADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H](O)C2CC2)[C@H](C)C1 ZINC000898202877 584089605 /nfs/dbraw/zinc/08/96/05/584089605.db2.gz DXZDVCZEMIXIGW-KWCYVHTRSA-N 2 0 240.391 1.467 20 0 BDADRP CC[N@@H+]1C[C@@H](C)N(c2cc[nH+]c(CO)c2)C[C@H]1C ZINC000858462959 588957571 /nfs/dbraw/zinc/95/75/71/588957571.db2.gz ZHMSPMOFEILBCM-VXGBXAGGSA-N 2 0 249.358 1.493 20 0 BDADRP CCC1(CC)[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C[C@@H]1OC ZINC000873256288 584128263 /nfs/dbraw/zinc/12/82/63/584128263.db2.gz MRCBYFZQDWPUPB-CYDGBPFRSA-N 2 0 240.391 1.907 20 0 BDADRP C[C@@H](NC(=[NH2+])NCC[NH2+]C(C)(C)C)C1CC1 ZINC000899266484 584190049 /nfs/dbraw/zinc/19/00/49/584190049.db2.gz CYQDQBZNEBFTAK-SECBINFHSA-N 2 0 226.368 1.287 20 0 BDADRP [NH3+][C@H]1CCc2cc(C3=CCC[NH2+]C3)ccc2C1 ZINC000899324846 584196695 /nfs/dbraw/zinc/19/66/95/584196695.db2.gz QSWXSNQRIJXGEE-HNNXBMFYSA-N 2 0 228.339 1.879 20 0 BDADRP [NH3+][C@H]1Cc2ccc(C3=CC[NH2+]CC3)cc2C1 ZINC000899324385 584196811 /nfs/dbraw/zinc/19/68/11/584196811.db2.gz WOTOZYGJSKHCAS-AWEZNQCLSA-N 2 0 214.312 1.489 20 0 BDADRP [NH3+][C@H](CO)c1ccc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000899327469 584197624 /nfs/dbraw/zinc/19/76/24/584197624.db2.gz AZPRWFMRIQVYOU-QLFBSQMISA-N 2 0 244.338 1.586 20 0 BDADRP CC(C)[NH+](Cc1cn(C[C@H](C)[NH3+])nn1)C(C)C ZINC000899720232 584228549 /nfs/dbraw/zinc/22/85/49/584228549.db2.gz XFSSEERPSVUXAK-NSHDSACASA-N 2 0 239.367 1.244 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@H]2CCCCO2)C1 ZINC000902320735 584552430 /nfs/dbraw/zinc/55/24/30/584552430.db2.gz RYCKFRGJPKBROF-CHWSQXEVSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H](CN[C@H]1CC[NH2+]CC(C)(C)C1)[NH+](C)C ZINC000902316176 584555587 /nfs/dbraw/zinc/55/55/87/584555587.db2.gz FGLZAIZUCLTQHC-RYUDHWBXSA-N 2 0 227.396 1.304 20 0 BDADRP CC[C@@H](O)CCC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902347091 584559108 /nfs/dbraw/zinc/55/91/08/584559108.db2.gz KTOKROPDBRWIME-CHWSQXEVSA-N 2 0 242.407 1.905 20 0 BDADRP CC[C@H](O)CC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902348403 584559289 /nfs/dbraw/zinc/55/92/89/584559289.db2.gz LMJSEHJRAKZXNR-RYUDHWBXSA-N 2 0 228.380 1.515 20 0 BDADRP CO[C@@H](C)CC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902349275 584559870 /nfs/dbraw/zinc/55/98/70/584559870.db2.gz YNLPJJJEKHHCQP-RYUDHWBXSA-N 2 0 228.380 1.779 20 0 BDADRP C[C@H](CO)CCC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902372667 584566727 /nfs/dbraw/zinc/56/67/27/584566727.db2.gz UHMPENNAXMWOIJ-QWHCGFSZSA-N 2 0 242.407 1.763 20 0 BDADRP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902388256 584579743 /nfs/dbraw/zinc/57/97/43/584579743.db2.gz NASWRSQGCQUSOS-VXGBXAGGSA-N 2 0 242.407 1.904 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902394014 584583835 /nfs/dbraw/zinc/58/38/35/584583835.db2.gz UPPDNGBVVFWXPU-QWHCGFSZSA-N 2 0 241.423 1.872 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CO1 ZINC000902394517 584584576 /nfs/dbraw/zinc/58/45/76/584584576.db2.gz YLQTXNWOTHZCGS-IJLUTSLNSA-N 2 0 226.364 1.532 20 0 BDADRP NOCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000902415714 584589565 /nfs/dbraw/zinc/58/95/65/584589565.db2.gz POVDKSJEYARRCI-RWMBFGLXSA-N 2 0 241.379 1.167 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902431466 584595557 /nfs/dbraw/zinc/59/55/57/584595557.db2.gz FIFHJUGPJKFJGM-CJYSPXJISA-N 2 0 245.370 1.341 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902436473 584596393 /nfs/dbraw/zinc/59/63/93/584596393.db2.gz YOTYBVWAEAJYLJ-DUBDDPSESA-N 2 0 233.359 1.327 20 0 BDADRP C[C@@H](N[C@@H]1Cc2ccccc2[C@H]1[NH3+])[C@H]1CCC[NH2+]1 ZINC000902435826 584596544 /nfs/dbraw/zinc/59/65/44/584596544.db2.gz VMBMRMRTWHLNKS-JUDXGUMMSA-N 2 0 245.370 1.341 20 0 BDADRP C[C@@H](NC[C@@H]1CCCCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000902474261 584601903 /nfs/dbraw/zinc/60/19/03/584601903.db2.gz CBPRKERMWJBNHT-AGIUHOORSA-N 2 0 225.380 1.249 20 0 BDADRP CC[C@H](NC[C@H]1CCCCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000902476646 584602659 /nfs/dbraw/zinc/60/26/59/584602659.db2.gz NGNNFNBAIQAOBI-RDBSUJKOSA-N 2 0 239.407 1.639 20 0 BDADRP C[C@@H](NC[C@@H]1CCCCC[NH2+]1)[C@H]1CCCC[NH2+]1 ZINC000902477726 584603562 /nfs/dbraw/zinc/60/35/62/584603562.db2.gz RIIMISOKJUWBRF-HZSPNIEDSA-N 2 0 239.407 1.639 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1NC[C@H]1CCCCC[NH2+]1 ZINC000902478718 584603662 /nfs/dbraw/zinc/60/36/62/584603662.db2.gz WJFGNDUAVFMYBK-VXGBXAGGSA-N 2 0 225.380 1.249 20 0 BDADRP CC(C)[NH+]1CCC(N[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000902447074 584604138 /nfs/dbraw/zinc/60/41/38/584604138.db2.gz RGWRYDLIBHASDI-CYBMUJFWSA-N 2 0 239.407 1.447 20 0 BDADRP [NH3+][C@@H]1C[C@@H](NC[C@@H]2CCCCC[NH2+]2)C12CCC2 ZINC000902479379 584604299 /nfs/dbraw/zinc/60/42/99/584604299.db2.gz XHZRQNWVNFVUPJ-YNEHKIRRSA-N 2 0 237.391 1.378 20 0 BDADRP CC1(C)C[NH2+]C[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000902450392 584606307 /nfs/dbraw/zinc/60/63/07/584606307.db2.gz RWTPPJJKMYPJLA-AGIUHOORSA-N 2 0 237.391 1.201 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1cncs1 ZINC000902454476 584608926 /nfs/dbraw/zinc/60/89/26/584608926.db2.gz HWIOAYFIDOOZPK-UWVGGRQHSA-N 2 0 243.376 1.548 20 0 BDADRP C[C@@H]([NH2+][C@@H]1CCSC(C)(C)C1)C1C[NH2+]C1 ZINC000902455847 584609459 /nfs/dbraw/zinc/60/94/59/584609459.db2.gz ZLPZRLIIEGCDER-MWLCHTKSSA-N 2 0 228.405 1.858 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@H]21)[C@H]1CCC[NH2+]1 ZINC000902456451 584610096 /nfs/dbraw/zinc/61/00/96/584610096.db2.gz OZEDXLKNYFJKSH-ZOLYEBIHSA-N 2 0 208.349 1.905 20 0 BDADRP C[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@@H]1CC1(C)C ZINC000902464322 584613472 /nfs/dbraw/zinc/61/34/72/584613472.db2.gz CPXVQSGEWPPYEL-KKJSVHSVSA-N 2 0 208.349 1.904 20 0 BDADRP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902470646 584616661 /nfs/dbraw/zinc/61/66/61/584616661.db2.gz ZHLKRBOALATZSU-JZRPKSSGSA-N 2 0 208.349 1.904 20 0 BDADRP CC[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)[C@H]1CCOC1 ZINC000902489994 584617357 /nfs/dbraw/zinc/61/73/57/584617357.db2.gz QOQXMYWDQDJPIL-FIQHERPVSA-N 2 0 212.337 1.128 20 0 BDADRP CC1(C)C[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C[C@@H]([NH3+])C1 ZINC000902491284 584617994 /nfs/dbraw/zinc/61/79/94/584617994.db2.gz WVKUCTKPEGMCDT-KKOKHZNYSA-N 3 0 225.380 1.219 20 0 BDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C1 ZINC000902491341 584618159 /nfs/dbraw/zinc/61/81/59/584618159.db2.gz XUGRRXHTUOMYAZ-IJLUTSLNSA-N 3 0 225.380 1.092 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]Cc1csc(N)n1 ZINC000902499274 584620083 /nfs/dbraw/zinc/62/00/83/584620083.db2.gz IWFIEVBMTGHNMN-MRVPVSSYSA-N 2 0 228.365 1.332 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC[C@@H](O)C1CC1 ZINC000902503718 584620751 /nfs/dbraw/zinc/62/07/51/584620751.db2.gz JSLPVVPNBRRFSH-RAIGVLPGSA-N 2 0 226.364 1.125 20 0 BDADRP C[C@@H](CCCC[NH3+])[NH2+]CC[C@@H](O)C1CC1 ZINC000902505843 584621241 /nfs/dbraw/zinc/62/12/41/584621241.db2.gz VFMKTVWXUVRPNH-CMPLNLGQSA-N 2 0 214.353 1.255 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC[C@@H](O)C2CC2)C12CCC2 ZINC000902504609 584621353 /nfs/dbraw/zinc/62/13/53/584621353.db2.gz OYNFGDSDQDMKJR-IJLUTSLNSA-N 2 0 224.348 1.007 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H]1CCCCC[NH2+]1 ZINC000902481391 584623740 /nfs/dbraw/zinc/62/37/40/584623740.db2.gz CHURUNYUEPNJTD-FRRDWIJNSA-N 2 0 225.380 1.106 20 0 BDADRP C[C@@H](NC[C@@H]1CCCCC[NH2+]1)c1c[nH+]ccc1N ZINC000902483252 584624155 /nfs/dbraw/zinc/62/41/55/584624155.db2.gz QDKLCNCLJARSRT-NEPJUHHUSA-N 2 0 248.374 1.677 20 0 BDADRP COCCC[C@@H](C)[NH2+]C[C@H]1CCCCC[NH2+]1 ZINC000902481948 584624271 /nfs/dbraw/zinc/62/42/71/584624271.db2.gz IPYXPEKUAFNEQI-CHWSQXEVSA-N 2 0 228.380 1.923 20 0 BDADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]2C2CCC2)C1 ZINC000902484190 584624638 /nfs/dbraw/zinc/62/46/38/584624638.db2.gz FJVAJHHVEMSSOJ-OJAKKHQRSA-N 2 0 208.349 1.892 20 0 BDADRP CC(C)[C@H]1C[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)CCO1 ZINC000902485772 584625369 /nfs/dbraw/zinc/62/53/69/584625369.db2.gz OBVLGLBUMFFMTQ-FDYHWXHSSA-N 2 0 226.364 1.517 20 0 BDADRP Cc1ccncc1[C@H](C)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902486023 584625550 /nfs/dbraw/zinc/62/55/50/584625550.db2.gz FHALQPAICWLFHZ-SRVKXCTJSA-N 2 0 219.332 1.778 20 0 BDADRP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1nccs1 ZINC000902487200 584626106 /nfs/dbraw/zinc/62/61/06/584626106.db2.gz KKFJKHRQGXFHJY-CIUDSAMLSA-N 2 0 211.334 1.531 20 0 BDADRP C[C@@H](CCc1ccco1)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902486968 584626264 /nfs/dbraw/zinc/62/62/64/584626264.db2.gz FWRDWRALLLWJMX-SRVKXCTJSA-N 2 0 222.332 1.928 20 0 BDADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000902488938 584627472 /nfs/dbraw/zinc/62/74/72/584627472.db2.gz OTGNKSWGZGCCFL-DHGKCCLASA-N 3 0 237.391 1.234 20 0 BDADRP Cc1nn(C)cc1[C@@H](C)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902489320 584627614 /nfs/dbraw/zinc/62/76/14/584627614.db2.gz OXKPVOYHTHMEDR-FBIMIBRVSA-N 2 0 222.336 1.116 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1COC[C@H]1C1CC1 ZINC000902517166 584630022 /nfs/dbraw/zinc/63/00/22/584630022.db2.gz HPXXXLOGSRDXHM-WXHSDQCUSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1COC[C@@H]1C1CC1 ZINC000902522035 584631678 /nfs/dbraw/zinc/63/16/78/584631678.db2.gz VKGYCAZZEVZFJD-XPXLGCRWSA-N 2 0 212.337 1.127 20 0 BDADRP Cl/C=C/C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000902523057 584632376 /nfs/dbraw/zinc/63/23/76/584632376.db2.gz ZTHYTBKPLLNAJJ-FSIOUSSQSA-N 2 0 214.740 1.717 20 0 BDADRP CO[C@H]1CCC[C@H]1[NH2+]CCN1CCC(C)(C)C1 ZINC000903346036 584753195 /nfs/dbraw/zinc/75/31/95/584753195.db2.gz ZTYAQKCCOSNXHS-OLZOCXBDSA-N 2 0 240.391 1.875 20 0 BDADRP CC(C)CO[C@@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903440738 584763374 /nfs/dbraw/zinc/76/33/74/584763374.db2.gz AYOJHNHWWRAVMC-HZSPNIEDSA-N 2 0 240.391 1.861 20 0 BDADRP CC[NH2+]CC1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903425134 584765382 /nfs/dbraw/zinc/76/53/82/584765382.db2.gz UFAWKFXWPKHDFI-OCCSQVGLSA-N 3 0 239.407 1.163 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cncc(F)c1 ZINC000903459777 584766766 /nfs/dbraw/zinc/76/67/66/584766766.db2.gz ZRVJYRNVFJGICC-BREBYQMCSA-N 2 0 237.322 1.999 20 0 BDADRP C[C@@H](CO)C1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903461207 584766929 /nfs/dbraw/zinc/76/69/29/584766929.db2.gz PJFWGRDWSKJTHU-SCRDCRAPSA-N 2 0 240.391 1.454 20 0 BDADRP C([C@H]1CCC[NH2+]1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000903442690 584767995 /nfs/dbraw/zinc/76/79/95/584767995.db2.gz YKXHXRWZTVKKLX-ZIAGYGMSSA-N 2 0 237.391 1.299 20 0 BDADRP C([C@H]1CCC[NH2+]1)N1CC[NH2+]CC12CCCCC2 ZINC000903446639 584770034 /nfs/dbraw/zinc/77/00/34/584770034.db2.gz ZAVZUMVXAMKECE-CYBMUJFWSA-N 2 0 237.391 1.347 20 0 BDADRP C(C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)OC1CC1 ZINC000903453990 584772583 /nfs/dbraw/zinc/77/25/83/584772583.db2.gz QTEUSEYRRLFQQM-QWHCGFSZSA-N 2 0 238.375 1.487 20 0 BDADRP NC[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)C1CCCCC1 ZINC000903454731 584773589 /nfs/dbraw/zinc/77/35/89/584773589.db2.gz IPEZMYYIJORHQG-XBFCOCLRSA-N 2 0 239.407 1.611 20 0 BDADRP [NH3+]C[C@H]1CCN(C[C@H]2CCC[NH2+]2)c2ccccc21 ZINC000903479716 584778296 /nfs/dbraw/zinc/77/82/96/584778296.db2.gz WZOFSHJWDOFBSH-CHWSQXEVSA-N 2 0 245.370 1.691 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000903482207 584778733 /nfs/dbraw/zinc/77/87/33/584778733.db2.gz ZHAWFSPEPWEDNK-FRRDWIJNSA-N 2 0 237.391 1.106 20 0 BDADRP C[C@H](c1ncccn1)[N@H+](C)CCCCCC[NH3+] ZINC000903482416 584778763 /nfs/dbraw/zinc/77/87/63/584778763.db2.gz GSUXFDAPPDJLLL-GFCCVEGCSA-N 2 0 236.363 1.989 20 0 BDADRP Cc1noc([C@@H](C)[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)n1 ZINC000903496558 584780818 /nfs/dbraw/zinc/78/08/18/584780818.db2.gz SHHIZBUFTSURMM-FXPVBKGRSA-N 2 0 238.335 1.356 20 0 BDADRP CC[NH+](CC)CCCN1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903557775 584782876 /nfs/dbraw/zinc/78/28/76/584782876.db2.gz QACRTDNOUULOQD-GFCCVEGCSA-N 2 0 227.396 1.387 20 0 BDADRP CC[NH+](CC)CCCN(CC[NH2+]C)C(C)C ZINC000903574188 584784047 /nfs/dbraw/zinc/78/40/47/584784047.db2.gz VONXEZHVWLVOFN-UHFFFAOYSA-N 2 0 229.412 1.648 20 0 BDADRP CCC[NH+](CCC)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903716699 584791885 /nfs/dbraw/zinc/79/18/85/584791885.db2.gz BXVMRNPOBTXELZ-UONOGXRCSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@H]1CC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903727158 584793034 /nfs/dbraw/zinc/79/30/34/584793034.db2.gz RFSTZJPPBFGKEH-STQMWFEESA-N 2 0 238.375 1.487 20 0 BDADRP C[C@@]1(C[NH3+])CCN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000903745869 584794152 /nfs/dbraw/zinc/79/41/52/584794152.db2.gz AQYNJHKUJDBVHV-STQMWFEESA-N 2 0 225.380 1.047 20 0 BDADRP CN(C[C@H]1CCCC[NH2+]C1)[C@H](C[NH3+])C1CC1 ZINC000903750016 584794581 /nfs/dbraw/zinc/79/45/81/584794581.db2.gz UAGOEEYTJOASNN-WCQYABFASA-N 2 0 225.380 1.045 20 0 BDADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC[C@@H]1CCCC[NH2+]C1 ZINC000903751621 584795510 /nfs/dbraw/zinc/79/55/10/584795510.db2.gz HQHSZIMISZZWRT-SYQHCUMBSA-N 2 0 239.407 1.352 20 0 BDADRP CC(C)(C)[C@H](C[NH3+])NC[C@H]1CCCC[NH2+]C1 ZINC000903753740 584796149 /nfs/dbraw/zinc/79/61/49/584796149.db2.gz XUCUFGFYJMOICS-RYUDHWBXSA-N 2 0 227.396 1.339 20 0 BDADRP C([C@H]1CC2(CO1)CC[NH2+]CC2)[NH+]1CCCCC1 ZINC000903734411 584796196 /nfs/dbraw/zinc/79/61/96/584796196.db2.gz ZBLFCUHNTHFJNJ-CYBMUJFWSA-N 2 0 238.375 1.631 20 0 BDADRP OCC1([NH2+]C[C@@H]2CCCC[NH2+]C2)CCCC1 ZINC000903764519 584797078 /nfs/dbraw/zinc/79/70/78/584797078.db2.gz UBSKMXVZVIBYNE-GFCCVEGCSA-N 2 0 226.364 1.271 20 0 BDADRP [NH3+]CCC1CC[NH+](C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903769050 584797751 /nfs/dbraw/zinc/79/77/51/584797751.db2.gz YMKATEIOMLVRFO-AWEZNQCLSA-N 3 0 239.407 1.437 20 0 BDADRP [NH3+][C@]12CCC[C@@H]1CN(C[C@@H]1CCCC[NH2+]C1)C2 ZINC000903770338 584798360 /nfs/dbraw/zinc/79/83/60/584798360.db2.gz XAFJOWMIZWOGPO-MCIONIFRSA-N 2 0 237.391 1.189 20 0 BDADRP CC1(C)CN(C[C@@H]2CCCC[NH2+]C2)C[C@@H]1[NH3+] ZINC000903786167 584800024 /nfs/dbraw/zinc/80/00/24/584800024.db2.gz FUXULMYEZXZCAV-NEPJUHHUSA-N 2 0 225.380 1.045 20 0 BDADRP CC1(C)[C@H]([NH3+])C[C@H]1NC[C@@H]1CCCC[NH2+]C1 ZINC000903782442 584800295 /nfs/dbraw/zinc/80/02/95/584800295.db2.gz NDMFOHRVPNNNBP-IJLUTSLNSA-N 2 0 225.380 1.092 20 0 BDADRP CC(C)OCCC[N@@H+]1CC[C@@H]2CC[C@]21CN ZINC000903855583 584808826 /nfs/dbraw/zinc/80/88/26/584808826.db2.gz NOOUTOZYILMYCK-STQMWFEESA-N 2 0 226.364 1.615 20 0 BDADRP [NH3+]C[C@]12CC[C@H]1CCN2C[C@H]1CCCC[NH2+]C1 ZINC000903862646 584813160 /nfs/dbraw/zinc/81/31/60/584813160.db2.gz AZINHDVXAYENHZ-MELADBBJSA-N 3 0 237.391 1.189 20 0 BDADRP [NH3+]CCCCCCN1CCC[C@]12CC[NH2+]C2 ZINC000903870279 584814639 /nfs/dbraw/zinc/81/46/39/584814639.db2.gz MCIYRBTUTVNQHQ-CYBMUJFWSA-N 2 0 225.380 1.333 20 0 BDADRP C[C@]12CSC[C@H]1C[N@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000903869985 584814811 /nfs/dbraw/zinc/81/48/11/584814811.db2.gz BAARVZCONUCELA-TUAOUCFPSA-N 2 0 226.389 1.281 20 0 BDADRP CC[C@@H]1C[C@H]1C[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903872184 584814927 /nfs/dbraw/zinc/81/49/27/584814927.db2.gz WXZRITUJMLRAAM-FRRDWIJNSA-N 2 0 208.349 1.860 20 0 BDADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903872731 584815253 /nfs/dbraw/zinc/81/52/53/584815253.db2.gz AYNBZVPKVQCFFW-IUKMKKQMSA-N 3 0 237.391 1.186 20 0 BDADRP [NH3+][C@@H](CC(F)F)CN1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000903873730 584815977 /nfs/dbraw/zinc/81/59/77/584815977.db2.gz LUFXJDCHFJJOQA-QBUCEGOBSA-N 2 0 247.333 1.313 20 0 BDADRP CC(C)[N@H+](CCO)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903878704 584816663 /nfs/dbraw/zinc/81/66/63/584816663.db2.gz WWLIEDHVTGBIST-YHWZYXNKSA-N 2 0 226.364 1.220 20 0 BDADRP CC[C@@](C)(CCO)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903903859 584820918 /nfs/dbraw/zinc/82/09/18/584820918.db2.gz XPFZKIMEUMKREC-GSPSYOTPSA-N 2 0 240.391 1.658 20 0 BDADRP C[NH+](C)[C@@H]1CCCN(C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903909677 584821638 /nfs/dbraw/zinc/82/16/38/584821638.db2.gz WSKUYHHBFLDQCE-WDEREUQCSA-N 2 0 249.349 1.385 20 0 BDADRP [NH3+]CC[C@H]1CCCCN1C[C@H]([NH3+])CC(F)F ZINC000903918411 584822409 /nfs/dbraw/zinc/82/24/09/584822409.db2.gz ZCMNLNIDRXHJTL-NXEZZACHSA-N 2 0 235.322 1.172 20 0 BDADRP C[C@H]1C[C@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC000903920407 584823408 /nfs/dbraw/zinc/82/34/08/584823408.db2.gz UPWIWZKKMSGTJM-KZWUZSNJSA-N 3 0 237.391 1.247 20 0 BDADRP C[C@@H]1[C@H](CO)CCCN1C[C@@H]([NH3+])CC(F)F ZINC000903929633 584824511 /nfs/dbraw/zinc/82/45/11/584824511.db2.gz IEDWMRUDTRTDDD-UTLUCORTSA-N 2 0 236.306 1.062 20 0 BDADRP CC(C)([NH3+])CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000903939323 584824847 /nfs/dbraw/zinc/82/48/47/584824847.db2.gz FXMYSQRDVIPFCA-SDDRHHMPSA-N 3 0 225.380 1.092 20 0 BDADRP [NH3+]C1(C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCC1 ZINC000903933191 584824901 /nfs/dbraw/zinc/82/49/01/584824901.db2.gz LQPWYGJQASRDPA-YHWZYXNKSA-N 3 0 237.391 1.378 20 0 BDADRP [NH3+]Cc1ccc(CNC[C@@H]([NH3+])CC(F)F)cc1 ZINC000903931421 584824945 /nfs/dbraw/zinc/82/49/45/584824945.db2.gz DGMSTWLJCRSROL-NSHDSACASA-N 2 0 243.301 1.217 20 0 BDADRP C[C@H](C[NH2+]C[C@@H]([NH3+])CC(F)F)c1ccccn1 ZINC000903932377 584824992 /nfs/dbraw/zinc/82/49/92/584824992.db2.gz CECQDDOUUMHTDR-ZJUUUORDSA-N 2 0 243.301 1.757 20 0 BDADRP C[C@@H]1C[C@@H](C[NH2+]CCC(C)(C)[NH3+])CC[NH2+]1 ZINC000903939457 584826116 /nfs/dbraw/zinc/82/61/16/584826116.db2.gz IBEMINULQSPKGY-MNOVXSKESA-N 3 0 213.369 1.092 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+]CCC(C)(C)[NH3+])CC[NH2+]1 ZINC000903939456 584826208 /nfs/dbraw/zinc/82/62/08/584826208.db2.gz IBEMINULQSPKGY-GHMZBOCLSA-N 3 0 213.369 1.092 20 0 BDADRP C(N1CCCC[C@]2(CC[NH2+]C2)C1)C12CC(C1)C[NH2+]2 ZINC000903959603 584827465 /nfs/dbraw/zinc/82/74/65/584827465.db2.gz KRTCSEIVPWKKSL-SHARSMKWSA-N 2 0 249.402 1.204 20 0 BDADRP CC[C@@H](COC)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903956968 584827501 /nfs/dbraw/zinc/82/75/01/584827501.db2.gz ODGHAWZTDVTJBC-UWVGGRQHSA-N 2 0 236.306 1.246 20 0 BDADRP COc1ccc(C[NH2+]CCC(C)(C)[NH3+])cc1O ZINC000903940902 584828716 /nfs/dbraw/zinc/82/87/16/584828716.db2.gz IQUOFBWHJBHOAN-UHFFFAOYSA-N 2 0 238.331 1.618 20 0 BDADRP CCC1([NH3+])CCN([C@H](C)C[C@H]2CCC[NH2+]2)CC1 ZINC000903947633 584829305 /nfs/dbraw/zinc/82/93/05/584829305.db2.gz CYGQDKSERKFCNV-CHWSQXEVSA-N 2 0 239.407 1.720 20 0 BDADRP C[C@H](C[C@H]1CCC[NH2+]1)NCc1cc(N)cc[nH+]1 ZINC000903953869 584831221 /nfs/dbraw/zinc/83/12/21/584831221.db2.gz MIJWJBGOBPMNRI-ZYHUDNBSSA-N 2 0 234.347 1.284 20 0 BDADRP CC(C)[C@@H](C[NH3+])CNC[C@@H]1C[NH2+]CCC1(F)F ZINC000903956360 584832093 /nfs/dbraw/zinc/83/20/93/584832093.db2.gz KAGWQTRJFQFIOW-QWRGUYRKSA-N 2 0 249.349 1.052 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccncc1 ZINC000903973456 584832658 /nfs/dbraw/zinc/83/26/58/584832658.db2.gz DRCNGCDUNNHUPT-DGCLKSJQSA-N 2 0 219.332 1.417 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C[C@H]1CCCOC1 ZINC000903974215 584832696 /nfs/dbraw/zinc/83/26/96/584832696.db2.gz LZFUIJIGYKIBIO-JHJVBQTASA-N 2 0 226.364 1.248 20 0 BDADRP CC(C)[C@@H](C[NH3+])C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903978419 584833245 /nfs/dbraw/zinc/83/32/45/584833245.db2.gz FAYQMWZIYFQIMJ-UPJWGTAASA-N 3 0 227.396 1.053 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000903963645 584833397 /nfs/dbraw/zinc/83/33/97/584833397.db2.gz DKTKPBZGLDZLSN-MBJXGIAVSA-N 2 0 237.391 1.105 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000903964632 584834073 /nfs/dbraw/zinc/83/40/73/584834073.db2.gz MPKPVGSZTVMJJK-MFKMUULPSA-N 2 0 244.342 1.508 20 0 BDADRP CC[C@H]1C[C@H](C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000903965189 584834586 /nfs/dbraw/zinc/83/45/86/584834586.db2.gz ZPCULRMNURZOKM-MQYQWHSLSA-N 2 0 240.391 1.637 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C[C@H]1CCSC1 ZINC000903967060 584834762 /nfs/dbraw/zinc/83/47/62/584834762.db2.gz FUMFZASYBHIFNQ-MXWKQRLJSA-N 2 0 214.378 1.185 20 0 BDADRP CC[C@H]1C[C@@H](C[N@@H+]2CCC[C@H]([NH3+])C2)CCO1 ZINC000903984671 584835306 /nfs/dbraw/zinc/83/53/06/584835306.db2.gz QSUKYNCTVXFONZ-AVGNSLFASA-N 2 0 226.364 1.615 20 0 BDADRP CC(C)C[C@H]([NH3+])CN1C[C@H]([NH3+])C(C)(C)C1 ZINC000903986040 584835734 /nfs/dbraw/zinc/83/57/34/584835734.db2.gz DYBIYDYKGSXSHS-QWRGUYRKSA-N 2 0 213.369 1.029 20 0 BDADRP C[NH2+]CCN(C)C[C@H]([NH3+])CCC(C)(C)C ZINC000904301145 584861307 /nfs/dbraw/zinc/86/13/07/584861307.db2.gz HQMHWJAPMLMBOW-LLVKDONJSA-N 2 0 215.385 1.291 20 0 BDADRP C[C@H]1CN(Cc2ccc(C[NH3+])cc2)C[C@H](C)[NH2+]1 ZINC000904299384 584860264 /nfs/dbraw/zinc/86/02/64/584860264.db2.gz CDHIFPKIMQQXAO-RYUDHWBXSA-N 2 0 233.359 1.328 20 0 BDADRP C[NH2+]C[C@@H]1CCN(C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC000904299627 584860925 /nfs/dbraw/zinc/86/09/25/584860925.db2.gz JXPZPCBQKQBIPM-QWHCGFSZSA-N 2 0 241.423 1.681 20 0 BDADRP C[NH2+]C1CCN(Cc2ccc(C[NH3+])cc2)CC1 ZINC000904300161 584861035 /nfs/dbraw/zinc/86/10/35/584861035.db2.gz XPOWSIMNDINSCI-UHFFFAOYSA-N 2 0 233.359 1.329 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CN1CCC(C[NH3+])CC1 ZINC000904300145 584861368 /nfs/dbraw/zinc/86/13/68/584861368.db2.gz XFSGFWDSGROCED-CYBMUJFWSA-N 2 0 241.423 1.811 20 0 BDADRP CC[N@H+](C[C@@H]1CCOC1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904310015 584863073 /nfs/dbraw/zinc/86/30/73/584863073.db2.gz UVZBZHNELGPPLF-KBPBESRZSA-N 2 0 240.391 1.735 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC(n3ccnc3)CC2)C1 ZINC000904313856 584863570 /nfs/dbraw/zinc/86/35/70/584863570.db2.gz LZKNCJZUFKJAAJ-TXEJJXNPSA-N 2 0 234.347 1.257 20 0 BDADRP C[C@]1(C[N@H+](CCCO)C2CC2)CCC[NH2+]C1 ZINC000904320416 584863912 /nfs/dbraw/zinc/86/39/12/584863912.db2.gz GNIMTFXPLXFUQA-ZDUSSCGKSA-N 2 0 226.364 1.223 20 0 BDADRP CCO[C@H]1C[C@@H]([N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C1(C)C ZINC000904322629 584864748 /nfs/dbraw/zinc/86/47/48/584864748.db2.gz FVVVYMBZSRIPAB-XQHKEYJVSA-N 2 0 240.391 1.859 20 0 BDADRP CC1(CO)CC[NH+](C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000904331521 584865806 /nfs/dbraw/zinc/86/58/06/584865806.db2.gz JBRFSIVGFNEBNU-AWEZNQCLSA-N 2 0 240.391 1.471 20 0 BDADRP C[C@@](CO)([NH2+]C[C@H]1C[C@@H]([NH3+])C1)C1CCCCC1 ZINC000904328585 584865824 /nfs/dbraw/zinc/86/58/24/584865824.db2.gz HGPWEQIRKLAPRG-YUTCNCBUSA-N 2 0 240.391 1.645 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H](C)N1C[C@H]([NH3+])CCC(C)(C)C ZINC000904332223 584865952 /nfs/dbraw/zinc/86/59/52/584865952.db2.gz OTHGAZXBNMWHMV-FRRDWIJNSA-N 2 0 241.423 1.822 20 0 BDADRP C[N@H+](C[C@@H]1CCC[C@@H]1O)C[C@]1(C)CCC[NH2+]C1 ZINC000904329508 584866187 /nfs/dbraw/zinc/86/61/87/584866187.db2.gz ZVRCOBFAWGCDIL-MELADBBJSA-N 2 0 240.391 1.469 20 0 BDADRP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC000904334441 584866373 /nfs/dbraw/zinc/86/63/73/584866373.db2.gz WEFXTEFNDNWFHS-CQSZACIVSA-N 3 0 233.359 1.316 20 0 BDADRP C[C@]1(C[NH3+])CCN(C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904334546 584866420 /nfs/dbraw/zinc/86/64/20/584866420.db2.gz YYIXXENKXCWCBJ-OLZOCXBDSA-N 2 0 225.380 1.047 20 0 BDADRP C[C@H](O)C[C@H]1CCCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904340926 584867551 /nfs/dbraw/zinc/86/75/51/584867551.db2.gz NZWRNMBHRPGALK-WUHRBBMRSA-N 2 0 226.364 1.349 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)C1 ZINC000904343497 584867883 /nfs/dbraw/zinc/86/78/83/584867883.db2.gz UPIFMSILMBAWOL-NDBYEHHHSA-N 2 0 224.348 1.082 20 0 BDADRP CC(C)(C)[C@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1O ZINC000904345271 584868518 /nfs/dbraw/zinc/86/85/18/584868518.db2.gz BXLGNHCSDRRPFW-QNWHQSFQSA-N 2 0 240.391 1.453 20 0 BDADRP C[C@@H]1CN(C[C@H]([NH3+])CCC(C)(C)C)[C@H](C)C[NH2+]1 ZINC000904351153 584869288 /nfs/dbraw/zinc/86/92/88/584869288.db2.gz VCERXRPGVWUNMK-JHJVBQTASA-N 2 0 241.423 1.822 20 0 BDADRP CC(C)[C@H]([NH3+])CNC[C@@H]([NH3+])CCC(C)(C)C ZINC000904351472 584869317 /nfs/dbraw/zinc/86/93/17/584869317.db2.gz ZGECHFNBZBJDNQ-NWDGAFQWSA-N 2 0 229.412 1.713 20 0 BDADRP C[C@@H](NCc1nccn1C1CC1)[C@H]1CCC[NH2+]C1 ZINC000904353391 584869704 /nfs/dbraw/zinc/86/97/04/584869704.db2.gz LLFRXQIMYRYXAB-NEPJUHHUSA-N 2 0 248.374 1.696 20 0 BDADRP Nc1ccc(CN[C@H](C[NH3+])C2CCCCC2)nn1 ZINC000904353039 584869941 /nfs/dbraw/zinc/86/99/41/584869941.db2.gz GSYDIQICYSMYKR-GFCCVEGCSA-N 2 0 249.362 1.056 20 0 BDADRP COc1cc(NC2CC(C[NH3+])C2)ccc1N ZINC000904353167 584870015 /nfs/dbraw/zinc/87/00/15/584870015.db2.gz HKMXEAJROHXWAL-UHFFFAOYSA-N 2 0 221.304 1.427 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+]Cc2cccc3c2CCCN3)C1 ZINC000904355032 584870777 /nfs/dbraw/zinc/87/07/77/584870777.db2.gz LWFBGNVDCQCABR-BJHJDKERSA-N 2 0 245.370 1.872 20 0 BDADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H]([NH3+])CCC(C)(C)C ZINC000904355645 584871271 /nfs/dbraw/zinc/87/12/71/584871271.db2.gz VMQWGJAUVVYOFF-NWDGAFQWSA-N 3 0 229.412 1.857 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+]C[C@H]2NCCc3ccccc32)C1 ZINC000904355484 584871385 /nfs/dbraw/zinc/87/13/85/584871385.db2.gz OFHDYZPAEOIEOJ-OSAQELSMSA-N 2 0 245.370 1.200 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H](CCO)c2ccccc2)C1 ZINC000904359634 584871742 /nfs/dbraw/zinc/87/17/42/584871742.db2.gz QOEMRHWFNGIGSA-KWCYVHTRSA-N 2 0 234.343 1.437 20 0 BDADRP [NH3+]CC1CC([NH2+]CCOCc2ccccc2)C1 ZINC000904360249 584871779 /nfs/dbraw/zinc/87/17/79/584871779.db2.gz JUZRQVNNZSSUHV-UHFFFAOYSA-N 2 0 234.343 1.530 20 0 BDADRP CC(C)(C)[C@H](C[NH3+])NCc1ccc(C[NH3+])cc1 ZINC000904357873 584872173 /nfs/dbraw/zinc/87/21/73/584872173.db2.gz CLUSUODRGZLUDW-ZDUSSCGKSA-N 2 0 235.375 1.608 20 0 BDADRP [NH3+]CC1CC([NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)C1 ZINC000904360831 584872204 /nfs/dbraw/zinc/87/22/04/584872204.db2.gz PGEKFMMURBNBLM-WJFHSMSDSA-N 2 0 224.348 1.271 20 0 BDADRP CC(C)(C)CC[C@@H]([NH3+])CN1CC[NH2+]C(C)(C)C1 ZINC000904358091 584872289 /nfs/dbraw/zinc/87/22/89/584872289.db2.gz HSNIQDSUKTUKAH-GFCCVEGCSA-N 2 0 241.423 1.824 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)C1 ZINC000904358712 584872327 /nfs/dbraw/zinc/87/23/27/584872327.db2.gz ROBZAOMWFHWDME-IGQOVBAYSA-N 3 0 237.391 1.188 20 0 BDADRP [NH3+]CC1CC([NH2+][C@H](CO)c2ccccc2)C1 ZINC000904362599 584872347 /nfs/dbraw/zinc/87/23/47/584872347.db2.gz OYPXOFFOCYNHLV-KGPNIALWSA-N 2 0 220.316 1.047 20 0 BDADRP Cc1cccc(CC[NH2+]C2CC(C[NH3+])C2)n1 ZINC000904369013 584872723 /nfs/dbraw/zinc/87/27/23/584872723.db2.gz PWKLHBFQISFTTO-UHFFFAOYSA-N 2 0 219.332 1.259 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCO[C@H](C3CCC3)C2)C1 ZINC000904371158 584873098 /nfs/dbraw/zinc/87/30/98/584873098.db2.gz KKKWTMHLEWCLKS-UHTWSYAYSA-N 2 0 224.348 1.225 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904389052 584874795 /nfs/dbraw/zinc/87/47/95/584874795.db2.gz RRXMELMLUXAUAJ-RISCZKNCSA-N 3 0 233.359 1.090 20 0 BDADRP CC(C)(/C=C\Cl)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904388783 584874925 /nfs/dbraw/zinc/87/49/25/584874925.db2.gz OVDBJWPQKSNILO-GPCGZLNTSA-N 2 0 202.729 1.844 20 0 BDADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CC1(F)CC1)CC2 ZINC000904393417 584875645 /nfs/dbraw/zinc/87/56/45/584875645.db2.gz SZBHUKLCOFEXLM-LLVKDONJSA-N 2 0 242.338 1.318 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000904389168 584875744 /nfs/dbraw/zinc/87/57/44/584875744.db2.gz SKWSNGRGHOZAEM-MCIONIFRSA-N 3 0 239.407 1.211 20 0 BDADRP C[C@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H]1CC[NH3+] ZINC000904376249 584876188 /nfs/dbraw/zinc/87/61/88/584876188.db2.gz NHKARBJZXCDIEV-WUHRBBMRSA-N 3 0 225.380 1.173 20 0 BDADRP C[C@@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H]1CC[NH3+] ZINC000904376247 584876345 /nfs/dbraw/zinc/87/63/45/584876345.db2.gz NHKARBJZXCDIEV-NDBYEHHHSA-N 3 0 225.380 1.173 20 0 BDADRP C[N@H+](CCCCCC[NH3+])C[C@]1(C)CCC[NH2+]C1 ZINC000904383598 584877504 /nfs/dbraw/zinc/87/75/04/584877504.db2.gz CTGISRFDDOKKMX-CQSZACIVSA-N 3 0 241.423 1.827 20 0 BDADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)C1CC[NH2+]CC1 ZINC000904385453 584877697 /nfs/dbraw/zinc/87/76/97/584877697.db2.gz YTZMNKUXBFBFPC-GFCCVEGCSA-N 3 0 247.386 1.623 20 0 BDADRP [NH3+]Cc1ccc(CN[C@]23CCC[C@@H]2[NH2+]CC3)cc1 ZINC000904385280 584877760 /nfs/dbraw/zinc/87/77/60/584877760.db2.gz UPQBGIJYQPZWAJ-GJZGRUSLSA-N 3 0 245.370 1.520 20 0 BDADRP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904406273 584878237 /nfs/dbraw/zinc/87/82/37/584878237.db2.gz DRSJHKIMPNWPNL-OLZOCXBDSA-N 3 0 241.423 1.811 20 0 BDADRP CCc1ncc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)s1 ZINC000904405679 584878376 /nfs/dbraw/zinc/87/83/76/584878376.db2.gz MJQOHSIZRNQYKN-SNVBAGLBSA-N 2 0 239.388 1.876 20 0 BDADRP C[C@@H]1C[N@H+](CC2=CCCOC2)CC[C@@H]1C[NH3+] ZINC000904411264 584879796 /nfs/dbraw/zinc/87/97/96/584879796.db2.gz SZVDQIVDSLEWKE-DGCLKSJQSA-N 2 0 224.348 1.250 20 0 BDADRP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2CC[C@@H](OC)C2)C1 ZINC000821386129 585016144 /nfs/dbraw/zinc/01/61/44/585016144.db2.gz IWWLWPDNHFTZCL-MELADBBJSA-N 2 0 240.391 1.828 20 0 BDADRP C[N@@H+]1CCCC12CC[NH+](C[C@H](O)C1CC1)CC2 ZINC000838910118 585077769 /nfs/dbraw/zinc/07/77/69/585077769.db2.gz MVICCMVEINNLHE-ZDUSSCGKSA-N 2 0 238.375 1.318 20 0 BDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@H]1C[C@]12CCOC2 ZINC000886841716 585184422 /nfs/dbraw/zinc/18/44/22/585184422.db2.gz TVQMDUWZBKQYKD-LPWJVIDDSA-N 2 0 224.348 1.225 20 0 BDADRP Cc1cc(CN2CCCC[C@]3(CC[NH2+]C3)C2)on1 ZINC000886872249 585186665 /nfs/dbraw/zinc/18/66/65/585186665.db2.gz NIQXHPXABHPMGR-CQSZACIVSA-N 2 0 249.358 1.949 20 0 BDADRP Cc1cc(NCCc2ccncc2C)nc(N)[nH+]1 ZINC000754796168 585290822 /nfs/dbraw/zinc/29/08/22/585290822.db2.gz SGIOJXWLPQZSAQ-UHFFFAOYSA-N 2 0 243.314 1.725 20 0 BDADRP C[NH+](C)CCC1CC[NH+](CCF)CC1 ZINC000759344501 585369686 /nfs/dbraw/zinc/36/96/86/585369686.db2.gz REAZEHIQPXSINM-UHFFFAOYSA-N 2 0 202.317 1.620 20 0 BDADRP CC[NH+](CC)[C@@H]1CCN(CC[NH+]2CCCC2)C1 ZINC000760841496 585398750 /nfs/dbraw/zinc/39/87/50/585398750.db2.gz QMFCFCLVMDKBLK-CQSZACIVSA-N 2 0 239.407 1.498 20 0 BDADRP C[C@H]1CN(CC[C@@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC000767586332 585522986 /nfs/dbraw/zinc/52/29/86/585522986.db2.gz GAHHHCYYVCZVJV-STQMWFEESA-N 2 0 225.380 1.107 20 0 BDADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(F)nc2)CC1 ZINC000778178336 585727114 /nfs/dbraw/zinc/72/71/14/585727114.db2.gz LMHPMKZMASETBA-UHFFFAOYSA-N 2 0 235.306 1.572 20 0 BDADRP C[C@@H](CCO)[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000779342023 585751700 /nfs/dbraw/zinc/75/17/00/585751700.db2.gz QBSWFSFSVLHYCF-MCIONIFRSA-N 2 0 242.407 1.715 20 0 BDADRP CCCC[NH+]1CCC([NH2+][C@H](C)CCO)CC1 ZINC000779343232 585752020 /nfs/dbraw/zinc/75/20/20/585752020.db2.gz XJYOWVVZAIXJAC-GFCCVEGCSA-N 2 0 228.380 1.611 20 0 BDADRP C[C@@H](CCO)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000779349227 585752396 /nfs/dbraw/zinc/75/23/96/585752396.db2.gz XIANDQJVKBADDR-NWDGAFQWSA-N 2 0 230.396 1.713 20 0 BDADRP C[C@@H]1CC[C@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000783240774 585831835 /nfs/dbraw/zinc/83/18/35/585831835.db2.gz QPLWXLZKIJGBBG-MGPQQGTHSA-N 2 0 240.391 1.611 20 0 BDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[C@H]1C ZINC000783295411 585833285 /nfs/dbraw/zinc/83/32/85/585833285.db2.gz VAXIMHHWCLHVMM-MGPQQGTHSA-N 2 0 239.407 1.401 20 0 BDADRP CC[C@H](O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000799324967 586171902 /nfs/dbraw/zinc/17/19/02/586171902.db2.gz RTDUMFZGNGYUGN-LBPRGKRZSA-N 2 0 214.353 1.175 20 0 BDADRP Cc1cc(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)nc(N)[nH+]1 ZINC000811811439 586567206 /nfs/dbraw/zinc/56/72/06/586567206.db2.gz BVKJUAUVGGCPCP-VHSXEESVSA-N 2 0 247.346 1.404 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc([C@H](C)O)cc1 ZINC000817893554 586831992 /nfs/dbraw/zinc/83/19/92/586831992.db2.gz GWKQEXWRTKFTCK-TUAOUCFPSA-N 2 0 236.359 1.955 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCSC(F)(F)F ZINC000817888110 586832316 /nfs/dbraw/zinc/83/23/16/586832316.db2.gz ASGFXAGAGKLSME-NKWVEPMBSA-N 2 0 230.299 1.955 20 0 BDADRP Cc1ccccc1[C@H](O)C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000817890745 586832999 /nfs/dbraw/zinc/83/29/99/586832999.db2.gz YJKMAVSNRCRCKN-VHDGCEQUSA-N 2 0 248.370 1.745 20 0 BDADRP Cc1ccc([C@H](O)C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000817893317 586833911 /nfs/dbraw/zinc/83/39/11/586833911.db2.gz RBFMTAFRCZXUAQ-YRGRVCCFSA-N 2 0 236.359 1.744 20 0 BDADRP C[C@H](O)c1ccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000817894153 586833957 /nfs/dbraw/zinc/83/39/57/586833957.db2.gz KFJUSPMIDRLKEO-CQDKDKBSSA-N 2 0 248.370 1.957 20 0 BDADRP CS[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[NH3+])C1 ZINC000817897650 586835101 /nfs/dbraw/zinc/83/51/01/586835101.db2.gz URVMBPKVFIMSPP-LNFKQOIKSA-N 2 0 214.378 1.740 20 0 BDADRP C[C@@H]1CCC[N@@H+]1CCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000817911427 586837873 /nfs/dbraw/zinc/83/78/73/586837873.db2.gz AHFBMIXKWBTMEG-FRRDWIJNSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@H](CN[C@H]1CCC[C@H]1[NH3+])[NH+]1CCCCC1 ZINC000817914682 586839088 /nfs/dbraw/zinc/83/90/88/586839088.db2.gz XZHMNPLVIGGMNQ-UPJWGTAASA-N 2 0 225.380 1.330 20 0 BDADRP Cc1ccc([C@H](O)C[NH2+][C@H]2CCC[C@H]2C[NH3+])o1 ZINC000817913695 586839125 /nfs/dbraw/zinc/83/91/25/586839125.db2.gz QSNMHUUATSVCAZ-SDDRHHMPSA-N 2 0 238.331 1.338 20 0 BDADRP C[C@H](NCC[N@@H+]1CCC[C@H]1C)c1c[nH+]ccc1N ZINC000817913297 586839634 /nfs/dbraw/zinc/83/96/34/586839634.db2.gz NLNWRHMZOAMETA-NEPJUHHUSA-N 2 0 248.374 1.629 20 0 BDADRP C[C@H]([NH2+]C[C@@]1(O)CCc2ccccc21)C1C[NH2+]C1 ZINC000817918517 586840016 /nfs/dbraw/zinc/84/00/16/586840016.db2.gz VLTXQBJERCJMRY-NHYWBVRUSA-N 2 0 246.354 1.018 20 0 BDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCCCCCO ZINC000817919813 586840668 /nfs/dbraw/zinc/84/06/68/586840668.db2.gz YWAWXJUAWHRGMG-OLZOCXBDSA-N 2 0 228.380 1.789 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cccc(F)n1 ZINC000817918936 586840765 /nfs/dbraw/zinc/84/07/65/586840765.db2.gz ZSGYROMHFTYVTF-MWLCHTKSSA-N 2 0 223.295 1.438 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(C)OCCCO1 ZINC000817926456 586840864 /nfs/dbraw/zinc/84/08/64/586840864.db2.gz JHMFYCQAJYPMDO-NEPJUHHUSA-N 2 0 242.363 1.117 20 0 BDADRP C[C@](O)(CC[NH2+][C@@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000817924784 586841627 /nfs/dbraw/zinc/84/16/27/586841627.db2.gz YDHMWAWKYOFPAI-KFWWJZLASA-N 2 0 248.370 1.754 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(C)OCCCO1 ZINC000817926459 586841788 /nfs/dbraw/zinc/84/17/88/586841788.db2.gz JHMFYCQAJYPMDO-VXGBXAGGSA-N 2 0 242.363 1.117 20 0 BDADRP C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])[C@@H](O)c1ccccc1 ZINC000817930565 586842502 /nfs/dbraw/zinc/84/25/02/586842502.db2.gz DBUCYVSLWLYWLY-CIQGVGRVSA-N 2 0 236.359 1.824 20 0 BDADRP C1CC1[C@H]1CC[C@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000817928620 586842578 /nfs/dbraw/zinc/84/25/78/586842578.db2.gz ZEROTPHYRUURRK-JHJVBQTASA-N 2 0 208.349 1.907 20 0 BDADRP C[C@@H](NCc1ccc(CC[NH3+])cc1)[C@@H]1CCC[NH2+]1 ZINC000817947560 586846795 /nfs/dbraw/zinc/84/67/95/586846795.db2.gz ATDCCDFTDDRXNR-DOMZBBRYSA-N 2 0 247.386 1.418 20 0 BDADRP c1[nH]nc2c1[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)CCC2 ZINC000817955593 586849804 /nfs/dbraw/zinc/84/98/04/586849804.db2.gz ZNIFEBXCLQJPGR-PWSUYJOCSA-N 2 0 234.347 1.376 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCCc3n[nH]cc32)C1 ZINC000817970020 586855847 /nfs/dbraw/zinc/85/58/47/586855847.db2.gz JNWAIHLIPFLACX-FOGDFJRCSA-N 2 0 234.347 1.647 20 0 BDADRP C[C@@H]([NH3+])C[NH2+][C@H](C)CSC(C)(C)C ZINC000817971784 586858733 /nfs/dbraw/zinc/85/87/33/586858733.db2.gz PZQVZVXJONTRGC-RKDXNWHRSA-N 2 0 204.383 1.843 20 0 BDADRP C[C@H](CSC(C)(C)C)[NH2+]C[C@H](C)[NH3+] ZINC000817971782 586859086 /nfs/dbraw/zinc/85/90/86/586859086.db2.gz PZQVZVXJONTRGC-DTWKUNHWSA-N 2 0 204.383 1.843 20 0 BDADRP c1[nH]nc2c1[C@H]([NH2+][C@H]1CC13CC[NH2+]CC3)CCC2 ZINC000817976624 586860584 /nfs/dbraw/zinc/86/05/84/586860584.db2.gz PSLIIIXYFOOALX-YPMHNXCESA-N 2 0 246.358 1.519 20 0 BDADRP C[C@@H]1CC2(C[N@@H+]1CCF)CC[NH2+]CC2 ZINC000818341208 586887374 /nfs/dbraw/zinc/88/73/74/586887374.db2.gz XZHXDKXVCMEQCT-SNVBAGLBSA-N 2 0 200.301 1.420 20 0 BDADRP C[C@H](CO)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000820807417 587073136 /nfs/dbraw/zinc/07/31/36/587073136.db2.gz HZVXFQOGAMPGCW-VXGBXAGGSA-N 2 0 236.359 1.780 20 0 BDADRP C1CC1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000820805102 587073667 /nfs/dbraw/zinc/07/36/67/587073667.db2.gz FQRSWGTVBYYKTK-VGPLMAKISA-N 2 0 206.333 1.896 20 0 BDADRP CO[C@@H]1CC[C@H]([N@@H+]2CC[C@H](C[NH+](C)C)C2)C1 ZINC000821401975 587117422 /nfs/dbraw/zinc/11/74/22/587117422.db2.gz JXJHIECFRBYICY-FRRDWIJNSA-N 2 0 226.364 1.437 20 0 BDADRP CNC(=O)C[N@H+](C)CCCc1cnccc1C ZINC000827862548 587405817 /nfs/dbraw/zinc/40/58/17/587405817.db2.gz ISVWDYSAPLIHDP-UHFFFAOYSA-N 2 0 235.331 1.000 20 0 BDADRP [NH3+]CCCCCCC(=O)N1CCC(C[NH3+])CC1 ZINC000832316403 587654304 /nfs/dbraw/zinc/65/43/04/587654304.db2.gz NXAHVEWRGAOIAI-UHFFFAOYSA-N 2 0 241.379 1.093 20 0 BDADRP C[C@@H](NC(=O)CCCCC[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000832498450 587663648 /nfs/dbraw/zinc/66/36/48/587663648.db2.gz ZUXSQRQWIJBILZ-VXGBXAGGSA-N 2 0 241.379 1.010 20 0 BDADRP CCCCCC[N@H+](C)CC(=O)N[C@H](C)CC[NH3+] ZINC000834452688 587755359 /nfs/dbraw/zinc/75/53/59/587755359.db2.gz JQSLHBTUPNZDEA-GFCCVEGCSA-N 2 0 243.395 1.352 20 0 BDADRP C[C@@H](Cc1cnccn1)[NH2+]CCN1CCC[C@@H]1C ZINC000834607179 587760647 /nfs/dbraw/zinc/76/06/47/587760647.db2.gz SCWJAAQEFDEKPF-STQMWFEESA-N 2 0 248.374 1.482 20 0 BDADRP CC[C@@H]1CN(C(=O)CCCCC[NH3+])CC[C@@H]1[NH3+] ZINC000834646213 587762566 /nfs/dbraw/zinc/76/25/66/587762566.db2.gz AQNOPRPRZUPUAK-NEPJUHHUSA-N 2 0 241.379 1.091 20 0 BDADRP C[C@@H](CCCC[NH3+])NC(=O)CCCCC[NH3+] ZINC000834785651 587766993 /nfs/dbraw/zinc/76/69/93/587766993.db2.gz GPYZNJOTTUIZDB-NSHDSACASA-N 2 0 229.368 1.139 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@H]1NCc1ccc(Cl)nc1 ZINC000841057645 587940427 /nfs/dbraw/zinc/94/04/27/587940427.db2.gz BSZODMHUPHAMKD-MWLCHTKSSA-N 2 0 239.750 1.823 20 0 BDADRP C[C@H](CCC[NH3+])[NH2+]Cc1cccnc1Cl ZINC000841081868 587945164 /nfs/dbraw/zinc/94/51/64/587945164.db2.gz YSROOIMBLUNOSO-SECBINFHSA-N 2 0 227.739 1.952 20 0 BDADRP C[C@H]([NH3+])c1ccc(NC(=O)C[C@H]([NH3+])C2CC2)cc1 ZINC000841849173 587977574 /nfs/dbraw/zinc/97/75/74/587977574.db2.gz ZBRHGKCUOXFQAY-ZANVPECISA-N 2 0 247.342 1.772 20 0 BDADRP CCC[C@@H]1C[NH2+]CCN1C(=O)CCCCC[NH3+] ZINC000841849324 587978055 /nfs/dbraw/zinc/97/80/55/587978055.db2.gz KHQZHAVTXOOGRB-GFCCVEGCSA-N 2 0 241.379 1.106 20 0 BDADRP NC(=O)[C@@H]1CCCC[N@@H+]1CCCCCCC[NH3+] ZINC000842471482 588028338 /nfs/dbraw/zinc/02/83/38/588028338.db2.gz DBJVYLBARKWOSV-LBPRGKRZSA-N 2 0 241.379 1.235 20 0 BDADRP C[C@]1(C[NH2+]CCCCCC[NH3+])CC[NH2+]C1 ZINC000843127621 588082455 /nfs/dbraw/zinc/08/24/55/588082455.db2.gz FGIADZULKIRDPV-GFCCVEGCSA-N 3 0 213.369 1.095 20 0 BDADRP [NH3+]CCOc1ccc(NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000843126717 588084118 /nfs/dbraw/zinc/08/41/18/588084118.db2.gz VPCASVXDLMHEQW-GFCCVEGCSA-N 2 0 249.358 1.436 20 0 BDADRP Cc1ccc(O)c(C[NH2+]CCCCCC[NH3+])n1 ZINC000843126898 588084181 /nfs/dbraw/zinc/08/41/81/588084181.db2.gz KVWTVGFZCGHNBH-UHFFFAOYSA-N 2 0 237.347 1.704 20 0 BDADRP [NH3+]CCCCCC[NH2+]C1CCOCC1 ZINC000843126137 588084706 /nfs/dbraw/zinc/08/47/06/588084706.db2.gz AVJBZZVULKKJTP-UHFFFAOYSA-N 2 0 200.326 1.274 20 0 BDADRP CC(C)([NH3+])CNc1ccc2c(c1)C[NH2+]CCO2 ZINC000843126742 588084850 /nfs/dbraw/zinc/08/48/50/588084850.db2.gz VYQMGBIOVDMIAM-UHFFFAOYSA-N 2 0 235.331 1.318 20 0 BDADRP C[C@@H]1OCC[C@H]1[NH2+]CCCCCC[NH3+] ZINC000843127882 588085216 /nfs/dbraw/zinc/08/52/16/588085216.db2.gz RPSHPBIXAFQRTR-WDEREUQCSA-N 2 0 200.326 1.273 20 0 BDADRP Fc1ncccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000843339650 588100619 /nfs/dbraw/zinc/10/06/19/588100619.db2.gz CFLDXBRNCCZGSF-KGYLQXTDSA-N 2 0 249.333 1.698 20 0 BDADRP CCc1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[nH]n1 ZINC000843342220 588100870 /nfs/dbraw/zinc/10/08/70/588100870.db2.gz KSGRMPYULRPMII-NTZNESFSSA-N 2 0 248.374 1.450 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]CCCCCC[NH3+] ZINC000843341937 588100872 /nfs/dbraw/zinc/10/08/72/588100872.db2.gz LXXSQRMRHNXQRD-GHMZBOCLSA-N 2 0 202.342 1.519 20 0 BDADRP [NH3+]CCCCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000843340776 588100893 /nfs/dbraw/zinc/10/08/93/588100893.db2.gz DZZXIYXCGGLFDV-UONOGXRCSA-N 3 0 239.407 1.722 20 0 BDADRP C[C@@H]1C[C@@H]([NH2+]CCCCCC[NH3+])[C@@H](C)O1 ZINC000843342946 588101606 /nfs/dbraw/zinc/10/16/06/588101606.db2.gz VPSGQUAXCWQVRL-IJLUTSLNSA-N 2 0 214.353 1.661 20 0 BDADRP C[C@@H]([NH2+]CCCCCC[NH3+])c1cnccn1 ZINC000843343640 588101620 /nfs/dbraw/zinc/10/16/20/588101620.db2.gz WLGCQKRXPOQLEG-LLVKDONJSA-N 2 0 222.336 1.646 20 0 BDADRP CCCCOC(=O)CC[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000843349347 588102226 /nfs/dbraw/zinc/10/22/26/588102226.db2.gz VSSWHEXEGZOZRL-GFCCVEGCSA-N 2 0 242.363 1.261 20 0 BDADRP C[NH2+]C1CC[NH+](CCCCCCC[NH3+])CC1 ZINC000843351680 588102501 /nfs/dbraw/zinc/10/25/01/588102501.db2.gz XANFNYHOMDQDDM-UHFFFAOYSA-N 3 0 227.396 1.579 20 0 BDADRP C[N@H+](CCOCC(F)F)C1CCC([NH3+])CC1 ZINC000843355706 588102869 /nfs/dbraw/zinc/10/28/69/588102869.db2.gz UXHZHKCGSISKIA-UHFFFAOYSA-N 2 0 236.306 1.470 20 0 BDADRP [NH3+]CCOc1ccc(NCC[C@H]2CC[NH2+]C2)cc1 ZINC000843365345 588104301 /nfs/dbraw/zinc/10/43/01/588104301.db2.gz IDQHBJDIPMXQGY-GFCCVEGCSA-N 2 0 249.358 1.436 20 0 BDADRP [NH3+]CCOc1ccc(NCC[C@@H]2CC[NH2+]C2)cc1 ZINC000843365346 588104446 /nfs/dbraw/zinc/10/44/46/588104446.db2.gz IDQHBJDIPMXQGY-LBPRGKRZSA-N 2 0 249.358 1.436 20 0 BDADRP [NH3+]CCCCCC(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000843477194 588114091 /nfs/dbraw/zinc/11/40/91/588114091.db2.gz PIFDULJVEVZCNU-GFCCVEGCSA-N 2 0 241.379 1.235 20 0 BDADRP CC[NH2+]CC(=O)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000843488634 588114927 /nfs/dbraw/zinc/11/49/27/588114927.db2.gz IVBTVEDOXVNXHH-SNVBAGLBSA-N 2 0 236.319 1.073 20 0 BDADRP [NH3+]CCCCCCNC(=O)C1(C[NH3+])CCCC1 ZINC000843505826 588117226 /nfs/dbraw/zinc/11/72/26/588117226.db2.gz NVYCBSOHBRLREJ-UHFFFAOYSA-N 2 0 241.379 1.141 20 0 BDADRP C[C@H](CC[NH3+])NC(=O)CCCC[NH+]1CCCC1 ZINC000844193158 588172823 /nfs/dbraw/zinc/17/28/23/588172823.db2.gz KGEBZPCFFSQOGQ-GFCCVEGCSA-N 2 0 241.379 1.106 20 0 BDADRP CCC[C@H]1C(=O)NCC[N@H+]1CCCCCC[NH3+] ZINC000846221357 588260122 /nfs/dbraw/zinc/26/01/22/588260122.db2.gz XPRVWPZMHUFWQY-LBPRGKRZSA-N 2 0 241.379 1.106 20 0 BDADRP CCC[N@H+](CCCCCC[NH3+])C1CC[NH2+]CC1 ZINC000846220017 588260712 /nfs/dbraw/zinc/26/07/12/588260712.db2.gz IXRGNSSOWHMRHG-UHFFFAOYSA-N 3 0 241.423 1.970 20 0 BDADRP C[C@@H]1C[N@H+](CCCCCC[NH3+])[C@@H](C)CN1 ZINC000846220142 588260877 /nfs/dbraw/zinc/26/08/77/588260877.db2.gz DGIBGZPJQNSXFM-NEPJUHHUSA-N 2 0 213.369 1.188 20 0 BDADRP CC(C)[NH2+]C1CC[NH+](CCCCCC[NH3+])CC1 ZINC000846219538 588260960 /nfs/dbraw/zinc/26/09/60/588260960.db2.gz CGILPGHPLJRXKR-UHFFFAOYSA-N 3 0 241.423 1.968 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000846220389 588260997 /nfs/dbraw/zinc/26/09/97/588260997.db2.gz IDMWCCSDAVKJHN-CHWSQXEVSA-N 3 0 225.380 1.189 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000846221118 588261050 /nfs/dbraw/zinc/26/10/50/588261050.db2.gz SSWZLBRSVXZLIO-CYBMUJFWSA-N 2 0 226.364 1.616 20 0 BDADRP [NH3+]CCCCCCN1C[C@H]([NH3+])Cc2ccccc21 ZINC000846222136 588261059 /nfs/dbraw/zinc/26/10/59/588261059.db2.gz ASOSZHBRALIGJK-CQSZACIVSA-N 2 0 247.386 1.896 20 0 BDADRP [NH3+]CCCCCCN1C[C@@H]([NH3+])Cc2ccccc21 ZINC000846222135 588261237 /nfs/dbraw/zinc/26/12/37/588261237.db2.gz ASOSZHBRALIGJK-AWEZNQCLSA-N 2 0 247.386 1.896 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000846220533 588261490 /nfs/dbraw/zinc/26/14/90/588261490.db2.gz JYJQCIRHWAMWAC-AWEZNQCLSA-N 2 0 239.407 1.581 20 0 BDADRP C[C@H]1CC[N@H+](CCCCCC[NH3+])C[C@@H]1C[NH3+] ZINC000846223073 588261833 /nfs/dbraw/zinc/26/18/33/588261833.db2.gz GMGQTPGXVTVPIE-STQMWFEESA-N 3 0 227.396 1.422 20 0 BDADRP [NH3+]Cc1cccc(C(=O)NCCC2(C[NH3+])CC2)c1 ZINC000846691329 588283061 /nfs/dbraw/zinc/28/30/61/588283061.db2.gz GRXNONVCDDRLSM-UHFFFAOYSA-N 2 0 247.342 1.004 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](CCO)C2CC2)C1 ZINC000848719919 588408717 /nfs/dbraw/zinc/40/87/17/588408717.db2.gz OUPDHIBETOWVNB-GRYCIOLGSA-N 2 0 212.337 1.007 20 0 BDADRP Cc1ccc([C@@H](O)C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000848722720 588408879 /nfs/dbraw/zinc/40/88/79/588408879.db2.gz PUTRIVXEOOFGNB-KKUMJFAQSA-N 2 0 248.370 1.888 20 0 BDADRP CC[C@H](C)NC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000848981015 588423618 /nfs/dbraw/zinc/42/36/18/588423618.db2.gz VCHSIAXICASTTD-WDEREUQCSA-N 2 0 226.368 1.383 20 0 BDADRP CCC(CC)[C@@H](CNC1=[NH+]C[C@@H](C)N1)[NH+](C)C ZINC000848984266 588425023 /nfs/dbraw/zinc/42/50/23/588425023.db2.gz FSUJJZCDWLZILZ-ZYHUDNBSSA-N 2 0 240.395 1.290 20 0 BDADRP CC(C)NC(=[NH2+])NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000848987023 588426013 /nfs/dbraw/zinc/42/60/13/588426013.db2.gz GIFSMUSIVZLZDY-NEPJUHHUSA-N 2 0 240.395 1.772 20 0 BDADRP C[C@@H](CNC(=[NH2+])N(C)C)[N@@H+]1CCCC[C@@H]1C ZINC000848987408 588426073 /nfs/dbraw/zinc/42/60/73/588426073.db2.gz ULAKZQIIFHUNMV-QWRGUYRKSA-N 2 0 226.368 1.335 20 0 BDADRP CCNC(=[NH2+])NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000848988166 588426171 /nfs/dbraw/zinc/42/61/71/588426171.db2.gz JRYSUNOIYSLUCU-TXEJJXNPSA-N 2 0 240.395 1.488 20 0 BDADRP CC[C@H](C)NC(=[NH2+])NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000848996496 588429238 /nfs/dbraw/zinc/42/92/38/588429238.db2.gz ZDMDDJDFTLSFEP-RYUDHWBXSA-N 2 0 240.395 1.629 20 0 BDADRP CC[C@H](C)NC(=[NH2+])NCC[N@H+](CC)C(C)C ZINC000848998964 588429852 /nfs/dbraw/zinc/42/98/52/588429852.db2.gz NDMFBJMTSVMVNP-NSHDSACASA-N 2 0 228.384 1.629 20 0 BDADRP C[C@@H]1CC[N@H+](CCNC(=[NH2+])Nc2ccccn2)C1 ZINC000849004445 588431649 /nfs/dbraw/zinc/43/16/49/588431649.db2.gz PVRPKPHYFXXDLA-LLVKDONJSA-N 2 0 247.346 1.360 20 0 BDADRP CC[C@@H](C)NC(=[NH2+])NC[C@@H]1CCCC[N@@H+]1CC ZINC000849005991 588432521 /nfs/dbraw/zinc/43/25/21/588432521.db2.gz JLJQHRHXPLZBGF-NEPJUHHUSA-N 2 0 240.395 1.773 20 0 BDADRP CCCCNC(=[NH2+])NC[C@H](C)C[NH+](C)C ZINC000849030022 588442265 /nfs/dbraw/zinc/44/22/65/588442265.db2.gz DGXOLHONJSGCOS-JTQLQIEISA-N 2 0 214.357 1.098 20 0 BDADRP CCCNC(=[NH2+])NCCCC[N@H+](C)C1CC1 ZINC000849039737 588447296 /nfs/dbraw/zinc/44/72/96/588447296.db2.gz PMYPMJCAHVWICU-UHFFFAOYSA-N 2 0 226.368 1.385 20 0 BDADRP CC(C)C[N@H+](C)CCCNC(=[NH2+])N1CCC1 ZINC000849046772 588450248 /nfs/dbraw/zinc/45/02/48/588450248.db2.gz LCZGVQMICGZGIB-UHFFFAOYSA-N 2 0 226.368 1.194 20 0 BDADRP [NH3+]C1(C[NH2+]C[C@@H]2CCCOC2)CCCC1 ZINC000849349646 588474484 /nfs/dbraw/zinc/47/44/84/588474484.db2.gz FQKLEQNQUCFYSR-NSHDSACASA-N 2 0 212.337 1.274 20 0 BDADRP CO[C@@H]1CC[C@@H]([N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000852078131 588660177 /nfs/dbraw/zinc/66/01/77/588660177.db2.gz LQKQNECAQWRPLV-MCIONIFRSA-N 2 0 238.375 1.582 20 0 BDADRP Cc1cc(C[N@@H+](C)C2CCC([NH3+])CC2)ncn1 ZINC000852741238 588698319 /nfs/dbraw/zinc/69/83/19/588698319.db2.gz OWXRILKWXRTDPT-UHFFFAOYSA-N 2 0 234.347 1.487 20 0 BDADRP Cc1cc(C[N@@H+](C)C2CCC([NH3+])CC2)nc(C)n1 ZINC000852741553 588698681 /nfs/dbraw/zinc/69/86/81/588698681.db2.gz VFCZUUXLAUIMIT-UHFFFAOYSA-N 2 0 248.374 1.795 20 0 BDADRP CO[C@@H](C[N@@H+]1CCC[C@H](C[NH3+])C1)C1CCCC1 ZINC000852744318 588698812 /nfs/dbraw/zinc/69/88/12/588698812.db2.gz YIQGFIHCBLVXAL-OCCSQVGLSA-N 2 0 240.391 1.862 20 0 BDADRP C[C@]12COC[C@H]1C[N@H+](CCCCCCC[NH3+])C2 ZINC000852758925 588700660 /nfs/dbraw/zinc/70/06/60/588700660.db2.gz HKJBMLRHOZTAMP-KGLIPLIRSA-N 2 0 240.391 1.864 20 0 BDADRP CCO[C@H](C[N@@H+]1CCC[C@@H](C[NH3+])C1)C1CC1 ZINC000863539548 589296626 /nfs/dbraw/zinc/29/66/26/589296626.db2.gz DZXXVLIUFHQNGS-WCQYABFASA-N 2 0 226.364 1.472 20 0 BDADRP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCC12CCOCC2 ZINC000863546113 589298095 /nfs/dbraw/zinc/29/80/95/589298095.db2.gz DLAWILLJFGPOQZ-TUAOUCFPSA-N 2 0 224.348 1.286 20 0 BDADRP CO[C@H](CN(C)C[C@@H](C)[NH3+])C1CCCCC1 ZINC000863568384 589299854 /nfs/dbraw/zinc/29/98/54/589299854.db2.gz KFZMKKKKDMRVGU-DGCLKSJQSA-N 2 0 228.380 1.861 20 0 BDADRP COc1cccc(CCCN(C)C[C@@H](C)[NH3+])c1 ZINC000863567938 589300271 /nfs/dbraw/zinc/30/02/71/589300271.db2.gz HBOPMLYNCLJGBJ-GFCCVEGCSA-N 2 0 236.359 1.907 20 0 BDADRP Cc1ccc(-c2n[nH]cc2CN(C)C[C@H](C)[NH3+])o1 ZINC000863652094 589307867 /nfs/dbraw/zinc/30/78/67/589307867.db2.gz QKFHGDSSCWVBAG-VIFPVBQESA-N 2 0 248.330 1.757 20 0 BDADRP CC[NH+](CC)CCCNC(=[NH2+])NCCC1CC1 ZINC000864451601 589364947 /nfs/dbraw/zinc/36/49/47/589364947.db2.gz HYYATWOOBKMDHF-UHFFFAOYSA-N 2 0 240.395 1.632 20 0 BDADRP CCC(CC)NC(=[NH2+])NC[C@H](C1CC1)[NH+](C)C ZINC000864454963 589366421 /nfs/dbraw/zinc/36/64/21/589366421.db2.gz AKSLTTOFJRLQQF-GFCCVEGCSA-N 2 0 240.395 1.629 20 0 BDADRP C[C@@H]1C[C@H]1NC(=[NH2+])NCc1ccc2c[nH+]cn2c1 ZINC000864467475 589371622 /nfs/dbraw/zinc/37/16/22/589371622.db2.gz XTMKQGZWJIKOFG-BXKDBHETSA-N 2 0 243.314 1.357 20 0 BDADRP CCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H]1C[C@H]1C ZINC000864468189 589372056 /nfs/dbraw/zinc/37/20/56/589372056.db2.gz GOWLVNFYNZUXDC-WOPDTQHZSA-N 2 0 238.379 1.383 20 0 BDADRP CCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H]1C[C@@H]1C ZINC000864468185 589372284 /nfs/dbraw/zinc/37/22/84/589372284.db2.gz GOWLVNFYNZUXDC-SDDRHHMPSA-N 2 0 238.379 1.383 20 0 BDADRP C[C@@H]1CC[C@H]([NH2+][C@H]2CCN(CC(C)(C)O)C2)C1 ZINC000865658860 589455011 /nfs/dbraw/zinc/45/50/11/589455011.db2.gz BQEMGBDMRXSYOB-AGIUHOORSA-N 2 0 240.391 1.610 20 0 BDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CC[C@@H]1CCCS1 ZINC000865724975 589458421 /nfs/dbraw/zinc/45/84/21/589458421.db2.gz OVXBQBFFOUIZKL-WOPDTQHZSA-N 2 0 228.405 1.812 20 0 BDADRP CS[C@H]1C[C@H]([NH2+][C@H]2CN(C)C[C@@H]2C)C1 ZINC000865734319 589459256 /nfs/dbraw/zinc/45/92/56/589459256.db2.gz SJNAGUQVRJGVHA-NAKRPEOUSA-N 2 0 214.378 1.420 20 0 BDADRP C[C@@H]1C[N@H+](CCC2SCCS2)C[C@H]1C[NH3+] ZINC000866672683 589510723 /nfs/dbraw/zinc/51/07/23/589510723.db2.gz QPKCPKBFUJEEKZ-NXEZZACHSA-N 2 0 246.445 1.709 20 0 BDADRP C([C@H]1CC[NH2+]C1)[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000866704825 589514804 /nfs/dbraw/zinc/51/48/04/589514804.db2.gz YDSIRIUSPOGDQB-TUAOUCFPSA-N 2 0 226.389 1.281 20 0 BDADRP C[N@H+](CCOCC[NH3+])Cc1ccc2cc[nH]c2c1 ZINC000866717851 589515348 /nfs/dbraw/zinc/51/53/48/589515348.db2.gz RJZFHWDKRAXBSP-UHFFFAOYSA-N 2 0 247.342 1.575 20 0 BDADRP CCC([NH3+])(CC)CNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870937415 589698683 /nfs/dbraw/zinc/69/86/83/589698683.db2.gz ITUZKFZHJJHPQJ-XYPYZODXSA-N 2 0 241.379 1.138 20 0 BDADRP CCCC[C@@H](C[NH3+])NC(=O)CC[NH2+]CC1CC1 ZINC000870938917 589699118 /nfs/dbraw/zinc/69/91/18/589699118.db2.gz WIHJREWMPBJURL-LBPRGKRZSA-N 2 0 241.379 1.010 20 0 BDADRP CCC[C@@](C)([NH3+])C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000870987479 589706145 /nfs/dbraw/zinc/70/61/45/589706145.db2.gz JAIWMJXNUQNTSW-ZWNOBZJWSA-N 2 0 241.379 1.008 20 0 BDADRP [NH3+][C@H]1C[C@H](c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)C1 ZINC000871800729 589820010 /nfs/dbraw/zinc/82/00/10/589820010.db2.gz RTMARRURAQBVTA-VTARDBKWSA-N 2 0 248.330 1.272 20 0 BDADRP COCCCCC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872153982 589885266 /nfs/dbraw/zinc/88/52/66/589885266.db2.gz PZMZNMIIURPQFZ-QWHCGFSZSA-N 2 0 226.364 1.344 20 0 BDADRP C[N@H+](CCCCCC[NH3+])CCOC(F)F ZINC000872158234 589885706 /nfs/dbraw/zinc/88/57/06/589885706.db2.gz UFRVDTMYSUAHGZ-UHFFFAOYSA-N 2 0 224.295 1.677 20 0 BDADRP COCC1([N@H+](C)CC[C@@H]2CC[NH2+]C2)CCC1 ZINC000872157056 589886558 /nfs/dbraw/zinc/88/65/58/589886558.db2.gz HMYURBHNSRNINR-LBPRGKRZSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H](CNc1cc[nH+]cc1C1CC1)[NH+](C)C ZINC000872424373 589938603 /nfs/dbraw/zinc/93/86/03/589938603.db2.gz FZCCEPFXBVRFBB-JTQLQIEISA-N 2 0 219.332 1.743 20 0 BDADRP [NH3+]CCc1ccc(CNCC23CC(C2)C[NH2+]3)cc1 ZINC000873211385 589996402 /nfs/dbraw/zinc/99/64/02/589996402.db2.gz ZKGKZAPNMFPKNF-UHFFFAOYSA-N 2 0 245.370 1.029 20 0 BDADRP CC(C)[C@H](C[NH3+])CN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000873213500 589996870 /nfs/dbraw/zinc/99/68/70/589996870.db2.gz FXKNMRTUMHVHDF-OLZOCXBDSA-N 3 0 225.380 1.045 20 0 BDADRP C([NH2+][C@@]12CCC[C@H]1[NH2+]CC2)[C@@H]1CCCOC1 ZINC000873229883 590001459 /nfs/dbraw/zinc/00/14/59/590001459.db2.gz IDIZLBXPSBHZGD-YNEHKIRRSA-N 2 0 224.348 1.287 20 0 BDADRP CC(C)C[C@H]([NH3+])CN[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000873232435 590002506 /nfs/dbraw/zinc/00/25/06/590002506.db2.gz ZZKQIFRUQRSFQO-RWMBFGLXSA-N 2 0 225.380 1.234 20 0 BDADRP C[N@H+](CCCCCC[NH3+])Cc1cnc(N)cn1 ZINC000873231598 590002611 /nfs/dbraw/zinc/00/26/11/590002611.db2.gz QTVHHMPIMGHRSC-UHFFFAOYSA-N 2 0 237.351 1.010 20 0 BDADRP CC(C)(C)[NH2+]CCN[C@]12CCC[C@H]1[NH2+]CC2 ZINC000873231141 590002676 /nfs/dbraw/zinc/00/26/76/590002676.db2.gz IWMRENDLIJKXSL-YPMHNXCESA-N 2 0 225.380 1.249 20 0 BDADRP C[C@@H]1C[C@H](C[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)CC[NH2+]1 ZINC000873231852 590002970 /nfs/dbraw/zinc/00/29/70/590002970.db2.gz SAKYRSIBWZCTDL-AAVRWANBSA-N 3 0 237.391 1.249 20 0 BDADRP CN(CCCCCC[NH3+])CC[NH2+]C(C)(C)C ZINC000873231561 590003276 /nfs/dbraw/zinc/00/32/76/590003276.db2.gz OGCXJAASKQAYSF-UHFFFAOYSA-N 2 0 229.412 1.825 20 0 BDADRP C([NH2+][C@@]12CCC[C@@H]1[NH2+]CC2)[C@H]1CCSC1 ZINC000873232074 590003392 /nfs/dbraw/zinc/00/33/92/590003392.db2.gz UWTWNCWPXPSFRW-GRYCIOLGSA-N 2 0 226.389 1.614 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC[C@H]1CCSC1 ZINC000873234677 590004442 /nfs/dbraw/zinc/00/44/42/590004442.db2.gz FNERCZYRHPOVMO-DCAQKATOSA-N 2 0 216.394 1.845 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CCCS1 ZINC000873243816 590006233 /nfs/dbraw/zinc/00/62/33/590006233.db2.gz NHSGCJDXTHDLHW-HBNTYKKESA-N 2 0 214.378 1.742 20 0 BDADRP [NH3+]CC1CCC([NH2+]Cc2ccnc(F)c2)CC1 ZINC000873243523 590006275 /nfs/dbraw/zinc/00/62/75/590006275.db2.gz XRXYUVHKTGQLEX-UHFFFAOYSA-N 2 0 237.322 1.828 20 0 BDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccnc(F)c1 ZINC000873242350 590006435 /nfs/dbraw/zinc/00/64/35/590006435.db2.gz PJLAKDSBCHJIRQ-NEPJUHHUSA-N 2 0 237.322 1.828 20 0 BDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccnc(F)c1 ZINC000873243546 590006720 /nfs/dbraw/zinc/00/67/20/590006720.db2.gz YCWQLDFOWSFPQB-PWSUYJOCSA-N 2 0 237.322 1.698 20 0 BDADRP Cc1cc([C@@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)no1 ZINC000873254957 590006761 /nfs/dbraw/zinc/00/67/61/590006761.db2.gz CGPMQLSZBGMOBE-OPRDCNLKSA-N 2 0 209.293 1.371 20 0 BDADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873250301 590007153 /nfs/dbraw/zinc/00/71/53/590007153.db2.gz OWJYJVBLFQCJDR-ZMLRMANQSA-N 3 0 248.374 1.237 20 0 BDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873249709 590007390 /nfs/dbraw/zinc/00/73/90/590007390.db2.gz MUIPFVIDHVNCOQ-MQYQWHSLSA-N 3 0 239.407 1.624 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cccnc1 ZINC000873250273 590007400 /nfs/dbraw/zinc/00/74/00/590007400.db2.gz FZMKURNQJJIKKI-JBLDHEPKSA-N 2 0 205.305 1.470 20 0 BDADRP Cc1nccnc1[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873251182 590007921 /nfs/dbraw/zinc/00/79/21/590007921.db2.gz UTVQYQASFSVLTF-MXWKQRLJSA-N 2 0 220.320 1.173 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1CCC12CCOCC2 ZINC000873250457 590008145 /nfs/dbraw/zinc/00/81/45/590008145.db2.gz RFZBIQIYBAHWSX-YNEHKIRRSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CCC12CCOCC2 ZINC000873250450 590008362 /nfs/dbraw/zinc/00/83/62/590008362.db2.gz RFZBIQIYBAHWSX-RWMBFGLXSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)C1CCSCC1 ZINC000873251582 590008855 /nfs/dbraw/zinc/00/88/55/590008855.db2.gz WPHFUBJGJHCNLQ-FOGDFJRCSA-N 2 0 228.405 1.845 20 0 BDADRP CC1(C)[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)[C@@H]2CCCO[C@@H]21 ZINC000873255104 590009983 /nfs/dbraw/zinc/00/99/83/590009983.db2.gz DDNZGMSXNNXQKH-NWBUJAPZSA-N 2 0 238.375 1.517 20 0 BDADRP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873255209 590010303 /nfs/dbraw/zinc/01/03/03/590010303.db2.gz DREMXHSHLVRUJZ-CYDGBPFRSA-N 2 0 226.364 1.519 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000873254748 590010348 /nfs/dbraw/zinc/01/03/48/590010348.db2.gz BTFBMSHLGQTCMA-BYCMXARLSA-N 2 0 230.355 1.871 20 0 BDADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873256214 590010831 /nfs/dbraw/zinc/01/08/31/590010831.db2.gz MUXBTGFGENATCX-CYUUQNCZSA-N 3 0 247.386 1.272 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)[C@H]1CCCOC1 ZINC000873256414 590011591 /nfs/dbraw/zinc/01/15/91/590011591.db2.gz MKCUBRKIHJUDEE-WISYIIOYSA-N 2 0 212.337 1.128 20 0 BDADRP COc1ccccc1C[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873256882 590011826 /nfs/dbraw/zinc/01/18/26/590011826.db2.gz QRLYIFUUYLDNOX-BZPMIXESSA-N 2 0 248.370 1.953 20 0 BDADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc2c(c1)OCO2 ZINC000873257662 590012536 /nfs/dbraw/zinc/01/25/36/590012536.db2.gz WDHQOTGIHFINAU-JBLDHEPKSA-N 2 0 248.326 1.803 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000873260770 590013710 /nfs/dbraw/zinc/01/37/10/590013710.db2.gz HEUSOYQSSNRJDB-XGFWRYKXSA-N 3 0 237.391 1.377 20 0 BDADRP C[C@H]([NH2+]C[C@@H]1c2ccccc2CN1C)C1C[NH2+]C1 ZINC000873265038 590014790 /nfs/dbraw/zinc/01/47/90/590014790.db2.gz GHLRKSKIAYPDIV-XHDPSFHLSA-N 2 0 245.370 1.371 20 0 BDADRP C[C@@H]([NH2+][C@H]1CCC[C@@H]1C[NH3+])C1CC[NH2+]CC1 ZINC000873270427 590015942 /nfs/dbraw/zinc/01/59/42/590015942.db2.gz UCGHNTSLTYOEEI-RTXFEEFZSA-N 3 0 225.380 1.092 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])C1CC[NH2+]CC1 ZINC000873271426 590016299 /nfs/dbraw/zinc/01/62/99/590016299.db2.gz IBKPKSOZOPUROZ-IACUBPJLSA-N 3 0 239.407 1.482 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1ccnn1C ZINC000873274867 590017033 /nfs/dbraw/zinc/01/70/33/590017033.db2.gz GUVCUSMRIMJYHT-GHMZBOCLSA-N 2 0 224.352 1.588 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[C@@H]3CCC[C@H]3O2)C1 ZINC000873281601 590018338 /nfs/dbraw/zinc/01/83/38/590018338.db2.gz MLOHZWJUMMRLLR-ZUWCUPBKSA-N 2 0 238.375 1.804 20 0 BDADRP COCC(C)(C)CC[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000873281446 590018929 /nfs/dbraw/zinc/01/89/29/590018929.db2.gz JANDEKDVVJLFKB-MNOVXSKESA-N 2 0 214.353 1.519 20 0 BDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCC[C@H]1CCOC1=O ZINC000873282251 590018958 /nfs/dbraw/zinc/01/89/58/590018958.db2.gz GODWUNFDTXEVNL-DCAQKATOSA-N 2 0 228.336 1.045 20 0 BDADRP CC(C)[NH+]1CCC(NCCC[NH+](C)C)CC1 ZINC000019958190 590056171 /nfs/dbraw/zinc/05/61/71/590056171.db2.gz WTYGEXWAVGSWAC-UHFFFAOYSA-N 2 0 227.396 1.401 20 0 BDADRP CC(C)C[C@@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000020128396 590077264 /nfs/dbraw/zinc/07/72/64/590077264.db2.gz DGRVEHOFFSHQIQ-CQSZACIVSA-N 2 0 241.423 1.648 20 0 BDADRP CCN1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000020593512 590125178 /nfs/dbraw/zinc/12/51/78/590125178.db2.gz SHCLAWBUTZRELZ-UHFFFAOYSA-N 2 0 225.380 1.014 20 0 BDADRP Cc1cc(C)cc(CC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000876818190 590245739 /nfs/dbraw/zinc/24/57/39/590245739.db2.gz REVRODDNIPBYQI-HZPDHXFCSA-N 2 0 244.382 1.997 20 0 BDADRP CC(C)(CCC[NH3+])NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000876859892 590250562 /nfs/dbraw/zinc/25/05/62/590250562.db2.gz NQEKMEVGABCDAU-XYPYZODXSA-N 2 0 241.379 1.138 20 0 BDADRP C[C@H]([NH3+])CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000877103536 590284285 /nfs/dbraw/zinc/28/42/85/590284285.db2.gz WYBSHRHMRBYFFH-RYUDHWBXSA-N 2 0 241.379 1.057 20 0 BDADRP C[C@@H]([NH3+])CCC(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877151001 590292915 /nfs/dbraw/zinc/29/29/15/590292915.db2.gz BQDQCHZJDCNQPZ-MNOVXSKESA-N 2 0 241.379 1.008 20 0 BDADRP CN(CCCCCC[NH3+])C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000877436342 590327342 /nfs/dbraw/zinc/32/73/42/590327342.db2.gz FTMLJHBQHHZQPV-GFCCVEGCSA-N 2 0 239.363 1.011 20 0 BDADRP CN(CCCCCC[NH3+])C(=O)CC[NH2+]C1CC1 ZINC000877437344 590327683 /nfs/dbraw/zinc/32/76/83/590327683.db2.gz BOVPBJXKJWAHRQ-UHFFFAOYSA-N 2 0 241.379 1.106 20 0 BDADRP CO[C@H]1C[C@@H](C[N@@H+]2CC[C@H](C[NH+](C)C)C2)C1 ZINC000878105230 590495370 /nfs/dbraw/zinc/49/53/70/590495370.db2.gz YNZWNCMLTCXOQK-UPJWGTAASA-N 2 0 226.364 1.295 20 0 BDADRP CO[C@H]1C[C@@H](C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000878162262 590512037 /nfs/dbraw/zinc/51/20/37/590512037.db2.gz CQCPQFCDAJBIKO-SYQHCUMBSA-N 2 0 240.391 1.826 20 0 BDADRP CCCCCC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000878867571 590636400 /nfs/dbraw/zinc/63/64/00/590636400.db2.gz GXQVWHDSZAFUAA-AWEZNQCLSA-N 2 0 242.407 1.955 20 0 BDADRP COC[C@H](C)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879248068 590721735 /nfs/dbraw/zinc/72/17/35/590721735.db2.gz LXXCXGNZVJOHDN-ZDUSSCGKSA-N 2 0 240.391 1.829 20 0 BDADRP C[C@H](O)CCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580029 590816552 /nfs/dbraw/zinc/81/65/52/590816552.db2.gz DICCNKUPFYANBT-AVGNSLFASA-N 2 0 226.364 1.173 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)O1 ZINC000879583346 590821721 /nfs/dbraw/zinc/82/17/21/590821721.db2.gz XYNDMYZIHHTTEO-AAVRWANBSA-N 2 0 238.375 1.580 20 0 BDADRP CN1CCC[C@H]2[C@@H]1CC[N@@H+]2CCc1cccnc1 ZINC000880137717 590939920 /nfs/dbraw/zinc/93/99/20/590939920.db2.gz JLQSJKBUCRFJJY-GJZGRUSLSA-N 2 0 245.370 1.793 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CN1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880142968 590944751 /nfs/dbraw/zinc/94/47/51/590944751.db2.gz WYABWXQEBJVFQF-HZSPNIEDSA-N 2 0 237.391 1.249 20 0 BDADRP CC1([NH+]2CCC2)CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000880475546 591053394 /nfs/dbraw/zinc/05/33/94/591053394.db2.gz VZAOTVIPXGROPB-ZDUSSCGKSA-N 2 0 238.375 1.318 20 0 BDADRP CCOCCC[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880473287 591054664 /nfs/dbraw/zinc/05/46/64/591054664.db2.gz UUWMDVZDDQCRJQ-UHFFFAOYSA-N 2 0 240.391 1.973 20 0 BDADRP CCN(CCO)CC[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000883089285 591538633 /nfs/dbraw/zinc/53/86/33/591538633.db2.gz FUVPNUYRDSUQSO-WDNDVIMCSA-N 2 0 240.391 1.469 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cncs1 ZINC000131448324 591608981 /nfs/dbraw/zinc/60/89/81/591608981.db2.gz PMNCFCBOWVAPHP-WPRPVWTQSA-N 2 0 211.334 1.360 20 0 BDADRP [NH3+]CCCCCC[NH2+]Cc1cncs1 ZINC000131574663 591623637 /nfs/dbraw/zinc/62/36/37/591623637.db2.gz WMFFAKZZPOZRTA-UHFFFAOYSA-N 2 0 213.350 1.752 20 0 BDADRP CC(C)CO[C@@H]1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000883422113 591657493 /nfs/dbraw/zinc/65/74/93/591657493.db2.gz FTLYBIVGFHZBPK-RWMBFGLXSA-N 2 0 244.354 1.433 20 0 BDADRP Cn1cncc1CC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000883424664 591658662 /nfs/dbraw/zinc/65/86/62/591658662.db2.gz ZQMONEBWISPDPR-UHFFFAOYSA-N 2 0 248.374 1.038 20 0 BDADRP CC(C)[NH2+]C1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000883424353 591659016 /nfs/dbraw/zinc/65/90/16/591659016.db2.gz OXXVTJAAFVFBSG-AAEUAGOBSA-N 2 0 243.370 1.149 20 0 BDADRP C[C@@H]1CCCN(C[C@@H]2C[C@H](F)C[NH2+]2)[C@@H]1CC[NH3+] ZINC000883435261 591665950 /nfs/dbraw/zinc/66/59/50/591665950.db2.gz NPHBDZUJHRVWCK-MROQNXINSA-N 2 0 243.370 1.136 20 0 BDADRP CC1(C)[C@H]([NH2+]CCCCCC[NH3+])C[C@@H]1[NH3+] ZINC000883442571 591668898 /nfs/dbraw/zinc/66/88/98/591668898.db2.gz OLBJMQSJUJFJEV-WDEREUQCSA-N 3 0 213.369 1.221 20 0 BDADRP C[NH2+]C[C@H]1CCCCN1CC[C@H]1CC[NH2+]C1 ZINC000883450112 591670724 /nfs/dbraw/zinc/67/07/24/591670724.db2.gz BBLDTENHCWACIH-CHWSQXEVSA-N 2 0 225.380 1.060 20 0 BDADRP C[NH2+]C[C@H]1CCCCN1CC[C@H]1CCC[NH2+]C1 ZINC000883449889 591671060 /nfs/dbraw/zinc/67/10/60/591671060.db2.gz PMGLYMJBMTUJDN-ZIAGYGMSSA-N 2 0 239.407 1.450 20 0 BDADRP CC1(C)Nc2ccccc2[C@@H]1[NH2+]CCOCC[NH3+] ZINC000883464100 591675401 /nfs/dbraw/zinc/67/54/01/591675401.db2.gz FOORSHVNHBEMNC-ZDUSSCGKSA-N 2 0 249.358 1.497 20 0 BDADRP C[NH+]1CCC(CCNC(=[NH2+])NC(C)(C)C)CC1 ZINC000134353422 591921343 /nfs/dbraw/zinc/92/13/43/591921343.db2.gz NKJSQWJQMBSJBT-UHFFFAOYSA-N 2 0 240.395 1.631 20 0 BDADRP CC(C)SCC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000215465411 591948016 /nfs/dbraw/zinc/94/80/16/591948016.db2.gz IFHUZSMUTUYIBA-NSHDSACASA-N 2 0 216.394 1.860 20 0 BDADRP [NH3+]CC[C@@H]1CCC[N@H+](C/C=C\Cl)C1 ZINC000216613727 592058654 /nfs/dbraw/zinc/05/86/54/592058654.db2.gz JTOHZEBWKOOZBW-ODTOEKCJSA-N 2 0 202.729 1.800 20 0 BDADRP CCC[N@H+](C)C[C@@H]1CCN(CC(OC)OC)C1 ZINC000136777865 592150545 /nfs/dbraw/zinc/15/05/45/592150545.db2.gz VOIZLZOKUHBUHA-LBPRGKRZSA-N 2 0 244.379 1.269 20 0 BDADRP CCC1([NH+]2CCC2)CC[NH+](C[C@H](C)CO)CC1 ZINC000886715906 592309379 /nfs/dbraw/zinc/30/93/79/592309379.db2.gz IMFVWSZANQBRLB-ZDUSSCGKSA-N 2 0 240.391 1.565 20 0 BDADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@H]2C[C@@]23CCOC3)C1 ZINC000886827710 592350630 /nfs/dbraw/zinc/35/06/30/592350630.db2.gz QDPZCHJJXNODFX-BFHYXJOUSA-N 2 0 238.375 1.344 20 0 BDADRP C[NH2+]CC1CC[NH+](C[C@@H]2C[C@@]23CCOC3)CC1 ZINC000886828016 592352209 /nfs/dbraw/zinc/35/22/09/592352209.db2.gz VSLPOVGGUMXFTP-UONOGXRCSA-N 2 0 238.375 1.344 20 0 BDADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@@H]1C[C@@]12CCOC2 ZINC000886838551 592357765 /nfs/dbraw/zinc/35/77/65/592357765.db2.gz ZSYIKGDUPWBJKH-MELADBBJSA-N 2 0 238.375 1.616 20 0 BDADRP [NH3+]CCC1CC[NH+](C[C@@H]2C[C@]23CCOC3)CC1 ZINC000886840260 592361287 /nfs/dbraw/zinc/36/12/87/592361287.db2.gz XWDUBWXGJSXPPM-KBPBESRZSA-N 2 0 238.375 1.474 20 0 BDADRP C(C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1)[C@@H]1CC[NH2+]C1 ZINC000886859949 592372342 /nfs/dbraw/zinc/37/23/42/592372342.db2.gz LNPSLCCICXHDMP-MJBXVCDLSA-N 2 0 238.375 1.487 20 0 BDADRP COCC[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886867513 592374864 /nfs/dbraw/zinc/37/48/64/592374864.db2.gz GZQCHEINZCUZBU-LBPRGKRZSA-N 2 0 212.337 1.098 20 0 BDADRP CC[C@@H](CNC(=[NH2+])NCC1CC1)[NH+]1CCCC1 ZINC000887348614 592484985 /nfs/dbraw/zinc/48/49/85/592484985.db2.gz QNGHUFGTDYWFEO-LBPRGKRZSA-N 2 0 238.379 1.385 20 0 BDADRP C[C@H]1CCCC[N@@H+]1CCNC(=[NH2+])NCC(F)F ZINC000887348827 592485647 /nfs/dbraw/zinc/48/56/47/592485647.db2.gz YTEDEZGSAHUGIG-VIFPVBQESA-N 2 0 248.321 1.240 20 0 BDADRP C[C@H]1C[N@H+](CCCCCCO)CC[C@H]1[NH3+] ZINC000300332481 592507043 /nfs/dbraw/zinc/50/70/43/592507043.db2.gz RWYDUPBVLPSSCA-NWDGAFQWSA-N 2 0 214.353 1.208 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@H](SC)C1 ZINC000300378070 592509484 /nfs/dbraw/zinc/50/94/84/592509484.db2.gz AVCGRZLBOVADOD-WOPDTQHZSA-N 2 0 246.420 1.614 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925704286 634383325 /nfs/dbraw/zinc/38/33/25/634383325.db2.gz FQHFFUZFLDUYKG-BBMNEWJDSA-N 3 0 237.391 1.090 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CCC[C@H]2CCC[NH2+]2)C12CCC2 ZINC000925705142 634386988 /nfs/dbraw/zinc/38/69/88/634386988.db2.gz HYQXUUQFIJNNKL-UPJWGTAASA-N 3 0 237.391 1.378 20 0 BDADRP CC[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)CCO1 ZINC000925706122 634388039 /nfs/dbraw/zinc/38/80/39/634388039.db2.gz LSJOFJHMOBMHSR-XQQFMLRXSA-N 2 0 238.375 1.818 20 0 BDADRP OC/C=C/C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925707080 634392890 /nfs/dbraw/zinc/39/28/90/634392890.db2.gz OMGIFKMUJHALBM-LSMGEYOZSA-N 2 0 238.375 1.293 20 0 BDADRP CC(C)(F)CC[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2 ZINC000925711662 634411565 /nfs/dbraw/zinc/41/15/65/634411565.db2.gz UXIBWLQUSCNNFH-IWDIQUIJSA-N 2 0 244.354 1.467 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1CC[C@@H](C[NH3+])C1)[NH2+]2 ZINC000925713739 634418848 /nfs/dbraw/zinc/41/88/48/634418848.db2.gz YQOIFQAKTQHIEF-HUXGKSLCSA-N 3 0 237.391 1.232 20 0 BDADRP [NH3+]CCCCCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925714181 634419277 /nfs/dbraw/zinc/41/92/77/634419277.db2.gz WJEJSTRKPSSMAN-VXGBXAGGSA-N 3 0 225.380 1.365 20 0 BDADRP C[C@@H](C[NH2+][C@@H]1COCC1(C)C)C[NH+]1CCCC1 ZINC000313024117 634438266 /nfs/dbraw/zinc/43/82/66/634438266.db2.gz BQTNZSUUZZYGOW-QWHCGFSZSA-N 2 0 240.391 1.733 20 0 BDADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925717709 634454997 /nfs/dbraw/zinc/45/49/97/634454997.db2.gz DKAULNURTIARAB-SPWCGHHHSA-N 2 0 247.386 1.805 20 0 BDADRP C[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)[NH+]1CCCCC1 ZINC000093215224 634463557 /nfs/dbraw/zinc/46/35/57/634463557.db2.gz NBKANAZULQYDFC-HZSPNIEDSA-N 2 0 239.407 1.720 20 0 BDADRP C([C@H]1CCCOC1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000257697481 634471646 /nfs/dbraw/zinc/47/16/46/634471646.db2.gz PDWQJIFTQFDFOB-ZIAGYGMSSA-N 2 0 238.375 1.631 20 0 BDADRP Cc1cc(CN2CC[C@@]3(C2)CCC[NH2+]C3)ncn1 ZINC000257729802 634486466 /nfs/dbraw/zinc/48/64/66/634486466.db2.gz XASATDCJXDXLHR-AWEZNQCLSA-N 2 0 246.358 1.361 20 0 BDADRP C[C@@H](c1cccnc1)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000257750971 634492447 /nfs/dbraw/zinc/49/24/47/634492447.db2.gz UVSBBTGEYYVIHD-RYUDHWBXSA-N 2 0 219.332 1.813 20 0 BDADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)C1 ZINC000925726762 634523118 /nfs/dbraw/zinc/52/31/18/634523118.db2.gz LNGATNBCLPEERS-PEBLQZBPSA-N 2 0 238.375 1.519 20 0 BDADRP CC1(C)[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925727183 634524165 /nfs/dbraw/zinc/52/41/65/634524165.db2.gz NEXJEFOPYPHRQE-RXGFPQBGSA-N 3 0 237.391 1.090 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2)C1 ZINC000125566802 634556001 /nfs/dbraw/zinc/55/60/01/634556001.db2.gz CIBSWDOQCOZLCO-GFCCVEGCSA-N 2 0 247.342 1.296 20 0 BDADRP CC(C)([NH3+])CCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000925736495 634588684 /nfs/dbraw/zinc/58/86/84/634588684.db2.gz AKQHUZUARKGEIW-QWHCGFSZSA-N 2 0 233.359 1.848 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCC12CCC2 ZINC000925783764 635291750 /nfs/dbraw/zinc/29/17/50/635291750.db2.gz GUOQLXZBBYQMNY-GRYCIOLGSA-N 2 0 208.349 1.764 20 0 BDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000925822981 635406315 /nfs/dbraw/zinc/40/63/15/635406315.db2.gz NEPSFKBURDZWQX-DMWPJOQESA-N 2 0 212.337 1.269 20 0 BDADRP C[C@@H]([NH3+])CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000040802650 635422638 /nfs/dbraw/zinc/42/26/38/635422638.db2.gz BHDBPITYZSSVMF-YPMHNXCESA-N 2 0 249.358 1.143 20 0 BDADRP C[C@@H]([NH2+]C[C@]12CCC[C@H]1OCC2)[C@@H]1CC[NH2+]C1 ZINC000925831709 635468466 /nfs/dbraw/zinc/46/84/66/635468466.db2.gz KVVMFDDNYKIROE-AAVRWANBSA-N 2 0 238.375 1.533 20 0 BDADRP COC1(C[N@@H+]2CCC[C@@H](C[NH3+])C2)CCCC1 ZINC000319191611 635500297 /nfs/dbraw/zinc/50/02/97/635500297.db2.gz OSIUJWBHIQQZHY-LBPRGKRZSA-N 2 0 226.364 1.616 20 0 BDADRP CC(C)COCC[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000232671996 635512853 /nfs/dbraw/zinc/51/28/53/635512853.db2.gz UZTQPNUKBHUDPH-STQMWFEESA-N 2 0 228.380 1.576 20 0 BDADRP CCO[C@H]1C[C@H]([NH2+]CCC(C)(C)[NH3+])C1(C)C ZINC000233759297 635543213 /nfs/dbraw/zinc/54/32/13/635543213.db2.gz FONHFJPAWIDMRO-QWRGUYRKSA-N 2 0 228.380 1.907 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2C[NH3+])CCS1 ZINC000925857096 635548914 /nfs/dbraw/zinc/54/89/14/635548914.db2.gz HDZGCYGCVGQMDQ-KXNHARMFSA-N 2 0 228.405 1.988 20 0 BDADRP C[C@H]([NH2+][C@@H]1CCS[C@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000925860753 635554709 /nfs/dbraw/zinc/55/47/09/635554709.db2.gz KWGRFESMCQHOKJ-WRWGMCAJSA-N 2 0 228.405 1.858 20 0 BDADRP Cc1ccc(NCC[NH2+][C@H](C)[C@H]2CC[NH2+]C2)nc1 ZINC000925878005 635606190 /nfs/dbraw/zinc/60/61/90/635606190.db2.gz OQIILEGTYDBHQX-OLZOCXBDSA-N 2 0 248.374 1.390 20 0 BDADRP CC[C@H]1COCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000051919054 632013214 /nfs/dbraw/zinc/01/32/14/632013214.db2.gz UPYOKBKEEKUOLW-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000250605693 635700170 /nfs/dbraw/zinc/70/01/70/635700170.db2.gz LEPJDCJKGYXEEW-FRRDWIJNSA-N 2 0 226.364 1.485 20 0 BDADRP Cc1cc(NCC[NH+]2CCC(C)CC2)nc(N)[nH+]1 ZINC000052160264 632090004 /nfs/dbraw/zinc/09/00/04/632090004.db2.gz GYEGZBHBXAKNHM-UHFFFAOYSA-N 2 0 249.362 1.511 20 0 BDADRP Cc1nc(C)c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)o1 ZINC000257688924 635746683 /nfs/dbraw/zinc/74/66/83/635746683.db2.gz MXJHOSDTBDVFLY-UHFFFAOYSA-N 2 0 249.358 1.867 20 0 BDADRP C[C@@H]1CN(c2cc[nH+]cc2CO)C[C@H](C)[N@H+]1C ZINC000128067110 632403215 /nfs/dbraw/zinc/40/32/15/632403215.db2.gz KGAKOHMKWIAEMH-PHIMTYICSA-N 2 0 235.331 1.103 20 0 BDADRP C1=CC[C@@H]2C[N@@H+](C[C@@H]3CCC[NH2+]C3)C[C@@H]2C1 ZINC000309480875 632417176 /nfs/dbraw/zinc/41/71/76/632417176.db2.gz DNQKWBUHGTVVNQ-MCIONIFRSA-N 2 0 220.360 1.884 20 0 BDADRP CC(C)[N@H+](C)CCN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000250491695 632541026 /nfs/dbraw/zinc/54/10/26/632541026.db2.gz HEMRIYBLRMTAMZ-QWHCGFSZSA-N 2 0 227.396 1.434 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@H](C)CC[C@@H]1C ZINC000235323531 632668635 /nfs/dbraw/zinc/66/86/35/632668635.db2.gz MYLUIQFYIVDTAN-NDBYEHHHSA-N 2 0 210.365 1.962 20 0 BDADRP C[C@H]1CC[C@@H](C[N@@H+]2CCC3(C2)CC[NH2+]CC3)O1 ZINC000310515375 632752505 /nfs/dbraw/zinc/75/25/05/632752505.db2.gz MHFGBSBXLNULJG-STQMWFEESA-N 2 0 238.375 1.629 20 0 BDADRP CC[C@H]1COC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000926665334 632792577 /nfs/dbraw/zinc/79/25/77/632792577.db2.gz CKKSCLUPZITPER-WUHRBBMRSA-N 2 0 226.364 1.341 20 0 BDADRP C[C@@H]1CCCN(C(=O)CCCCC[NH3+])[C@@H]1C[NH3+] ZINC000154149900 632828712 /nfs/dbraw/zinc/82/87/12/632828712.db2.gz OFTNENVZZJLAIM-VXGBXAGGSA-N 2 0 241.379 1.091 20 0 BDADRP CCNC(NCC[N@@H+]1CCCC[C@H]1C)=[NH+]CC ZINC000066243423 632860927 /nfs/dbraw/zinc/86/09/27/632860927.db2.gz VTYXDWTWAPZZPT-GFCCVEGCSA-N 2 0 240.395 1.436 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCCCCCO)C1 ZINC000236304288 632915146 /nfs/dbraw/zinc/91/51/46/632915146.db2.gz IFVGYEMDKKCWEM-VXGBXAGGSA-N 2 0 214.353 1.399 20 0 BDADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)C[C@H]1CCCOC1 ZINC000249984372 633014296 /nfs/dbraw/zinc/01/42/96/633014296.db2.gz LXRAYOBCOLJKFC-UONOGXRCSA-N 2 0 240.391 1.735 20 0 BDADRP C([C@H]1CCCCO1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000309420313 633044185 /nfs/dbraw/zinc/04/41/85/633044185.db2.gz WPPFARPVLVDDGL-YNEHKIRRSA-N 2 0 224.348 1.097 20 0 BDADRP Cc1cc(N)nc(NCC[C@@H](C)[NH+](C)C)[nH+]1 ZINC000894521322 635903840 /nfs/dbraw/zinc/90/38/40/635903840.db2.gz MWYNUYMONUXREZ-SECBINFHSA-N 2 0 223.324 1.119 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@H](O)CC(C)C)CC1 ZINC000167127108 633125763 /nfs/dbraw/zinc/12/57/63/633125763.db2.gz MCAQNAUGSOAASD-CYBMUJFWSA-N 2 0 228.380 1.467 20 0 BDADRP C[N@@H+]1CCC[C@@H]2CN(C[C@@H]3CCC[NH2+]3)CC[C@@H]21 ZINC000167561024 633130747 /nfs/dbraw/zinc/13/07/47/633130747.db2.gz CBTMESAILZACTP-RDBSUJKOSA-N 2 0 237.391 1.155 20 0 BDADRP C[C@@H]1COC[C@H]1[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000924608086 633239024 /nfs/dbraw/zinc/23/90/24/633239024.db2.gz VUJQWWDXUJYZPW-IUODEOHRSA-N 2 0 248.370 1.873 20 0 BDADRP C1=CC[C@H](C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000328419653 633763622 /nfs/dbraw/zinc/76/36/22/633763622.db2.gz JLVCWLXIKADBDM-XDSHMYFISA-N 2 0 232.371 1.929 20 0 BDADRP CC1(C)C[C@@H]1C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328575015 633777891 /nfs/dbraw/zinc/77/78/91/633777891.db2.gz XPCYRGCKGLTMHZ-JSAZDUPASA-N 2 0 220.360 1.619 20 0 BDADRP C(CC1CCC1)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328576133 633778445 /nfs/dbraw/zinc/77/84/45/633778445.db2.gz YYMUAPJAPCJTBO-MEBFFEOJSA-N 2 0 220.360 1.763 20 0 BDADRP CC1(C)C[C@@H]([NH2+][C@H]2CCC[C@H](O)C2)C[C@@H]([NH3+])C1 ZINC000925501462 633822788 /nfs/dbraw/zinc/82/27/88/633822788.db2.gz ISNOWZISULTDIS-VOAKCMCISA-N 2 0 240.391 1.786 20 0 BDADRP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925511365 633853627 /nfs/dbraw/zinc/85/36/27/633853627.db2.gz LTRIGQJIPWNQBV-ZDEQEGDKSA-N 2 0 242.407 1.889 20 0 BDADRP CC1(C)[C@H]([NH2+]CC2CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925537417 633939513 /nfs/dbraw/zinc/93/95/13/633939513.db2.gz XIPVYYQAMPLHND-GRYCIOLGSA-N 2 0 208.349 1.763 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000925607699 634139724 /nfs/dbraw/zinc/13/97/24/634139724.db2.gz RDCSFYWIWDPZGT-TUAOUCFPSA-N 2 0 226.364 1.268 20 0 BDADRP C[C@H](CCO)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925614376 634156091 /nfs/dbraw/zinc/15/60/91/634156091.db2.gz XZGHVCJBXAVIFY-OCCSQVGLSA-N 2 0 236.359 1.827 20 0 BDADRP CC(C)(CO)C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925616215 634162273 /nfs/dbraw/zinc/16/22/73/634162273.db2.gz KXNDSEFLDMDDQB-GHMZBOCLSA-N 2 0 228.380 1.501 20 0 BDADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H](CCO)C2CC2)C12CCC2 ZINC000925619848 634177518 /nfs/dbraw/zinc/17/75/18/634177518.db2.gz RHHMYQRKMLFHLY-IJLUTSLNSA-N 2 0 224.348 1.007 20 0 BDADRP C[C@H]1[C@H]([NH+](C)C)CCN1CC[NH+]1CCCCC1 ZINC000931043891 634195912 /nfs/dbraw/zinc/19/59/12/634195912.db2.gz RHIKTPSCFRTJPC-UONOGXRCSA-N 2 0 239.407 1.497 20 0 BDADRP CCOC[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925645394 634197292 /nfs/dbraw/zinc/19/72/92/634197292.db2.gz PZBBYGOJUHWTRO-SDDRHHMPSA-N 2 0 228.380 1.907 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+][C@H]2CCCC[C@@H]2O)C12CCC2 ZINC000925645021 634198284 /nfs/dbraw/zinc/19/82/84/634198284.db2.gz OYFNWXMBSCAGOF-FIQHERPVSA-N 2 0 224.348 1.149 20 0 BDADRP O[C@@H]1CC[C@@H](C[NH2+][C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925650247 634209953 /nfs/dbraw/zinc/20/99/53/634209953.db2.gz SZRHSAAIZMCBJO-JHJVBQTASA-N 2 0 238.375 1.412 20 0 BDADRP C1=CC[N@H+](CCN[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925662460 634229214 /nfs/dbraw/zinc/22/92/14/634229214.db2.gz ILXMPYACESMOGE-CYBMUJFWSA-N 2 0 235.375 1.123 20 0 BDADRP C[C@@H]1COCC[C@H]1C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925670518 634252991 /nfs/dbraw/zinc/25/29/91/634252991.db2.gz LTYNGUVZVPHRFO-GRYCIOLGSA-N 2 0 226.364 1.389 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCCSC1 ZINC000925675638 634263710 /nfs/dbraw/zinc/26/37/10/634263710.db2.gz XPTQMNHWWFQTPH-WDEREUQCSA-N 2 0 228.405 1.860 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925677644 634269915 /nfs/dbraw/zinc/26/99/15/634269915.db2.gz XJUFBGFNSQCPIC-WYUUTHIRSA-N 2 0 228.380 1.905 20 0 BDADRP Cc1nccnc1CC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925677720 634272890 /nfs/dbraw/zinc/27/28/90/634272890.db2.gz ZLPJSRAKIFABRM-OLZOCXBDSA-N 2 0 246.358 1.187 20 0 BDADRP CC[C@H](C)[C@@H](CN[C@H]1CC[NH2+]C12CCC2)OC ZINC000925678977 634275861 /nfs/dbraw/zinc/27/58/61/634275861.db2.gz GUDSOHPALVBXGD-XQQFMLRXSA-N 2 0 240.391 1.922 20 0 BDADRP COCC[C@H](C)C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925686906 634300436 /nfs/dbraw/zinc/30/04/36/634300436.db2.gz XKPMUBHPGKYTIT-VZKILSJISA-N 2 0 238.375 1.245 20 0 BDADRP [NH3+]C1(CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CCCCC1 ZINC000925688285 634305494 /nfs/dbraw/zinc/30/54/94/634305494.db2.gz CQXXDVVJMHTEAT-QSLWVIQJSA-N 2 0 249.402 1.234 20 0 BDADRP CC1(C)C[C@@H]([NH2+][C@@H]2CCC[C@@H]2C[NH3+])C[C@@H]([NH3+])C1 ZINC000925690773 634314234 /nfs/dbraw/zinc/31/42/34/634314234.db2.gz HDXQCYJJLXPRBP-FVCCEPFGSA-N 3 0 239.407 1.609 20 0 BDADRP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1NC1C[C@H]3CC[C@@H](C1)[NH2+]3)[NH2+]2 ZINC000925693260 634328248 /nfs/dbraw/zinc/32/82/48/634328248.db2.gz QWGRMAMMBJBRNT-KIAYKNLVSA-N 3 0 249.402 1.388 20 0 BDADRP CC(C)C[C@H](C[NH3+])N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925693592 634329356 /nfs/dbraw/zinc/32/93/56/634329356.db2.gz PPWVZVVOCBVWHD-WOPDTQHZSA-N 2 0 225.380 1.219 20 0 BDADRP C[NH2+]CCC[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000925693825 634331809 /nfs/dbraw/zinc/33/18/09/634331809.db2.gz SBCPCCBMEXMXJC-RWMBFGLXSA-N 2 0 226.364 1.391 20 0 BDADRP [NH3+]CCCN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925694363 634337009 /nfs/dbraw/zinc/33/70/09/634337009.db2.gz TXIGAAUBAKJCND-CHWSQXEVSA-N 2 0 225.380 1.093 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1NCC1([NH3+])CCCCC1 ZINC000925695623 634343090 /nfs/dbraw/zinc/34/30/90/634343090.db2.gz XIIAQGQXWOMDBT-LLVKDONJSA-N 2 0 225.380 1.378 20 0 BDADRP [NH3+]CCC[C@H](NC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000925695765 634356123 /nfs/dbraw/zinc/35/61/23/634356123.db2.gz WUOTZRJXZLOLLV-GJZGRUSLSA-N 2 0 247.386 1.808 20 0 BDADRP CCC([NH3+])(CC)CN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925696825 634356437 /nfs/dbraw/zinc/35/64/37/634356437.db2.gz BFMJUDPQNYGRDS-QWRGUYRKSA-N 2 0 225.380 1.363 20 0 BDADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925697283 634357139 /nfs/dbraw/zinc/35/71/39/634357139.db2.gz XJJLXBKNAAYFQD-YVECIDJPSA-N 2 0 238.375 1.802 20 0 BDADRP C[C@H]([NH3+])[C@@H](NC[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000925696944 634358803 /nfs/dbraw/zinc/35/88/03/634358803.db2.gz CCDJWENXCBNDHC-OUCADQQQSA-N 2 0 233.359 1.274 20 0 BDADRP C[C@]1(CN[C@H]2C[C@@H]([NH3+])C23CCC3)CCC[NH2+]C1 ZINC000925697575 634360464 /nfs/dbraw/zinc/36/04/64/634360464.db2.gz GTOHXZWTWUMQOH-AGIUHOORSA-N 2 0 237.391 1.236 20 0 BDADRP Cc1cc(N)nc(NCC2([NH+](C)C)CCC2)n1 ZINC000893375947 634365170 /nfs/dbraw/zinc/36/51/70/634365170.db2.gz CHNNYCPHFVRQEU-UHFFFAOYSA-N 2 0 235.335 1.263 20 0 BDADRP CCC([NH3+])(CC)CN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925699054 634366204 /nfs/dbraw/zinc/36/62/04/634366204.db2.gz MPYIDDNAHIJDJG-NWDGAFQWSA-N 2 0 241.423 2.000 20 0 BDADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925698974 634367100 /nfs/dbraw/zinc/36/71/00/634367100.db2.gz MCRPBNZCDZQQIW-XQHKEYJVSA-N 2 0 239.407 1.480 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1N[C@@H]1CC[NH2+]C12CCCC2 ZINC000925699994 634367878 /nfs/dbraw/zinc/36/78/78/634367878.db2.gz MOAYREHYBMMXDF-YNEHKIRRSA-N 2 0 237.391 1.391 20 0 BDADRP C[C@H]1NCCC[C@@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000925700326 634368910 /nfs/dbraw/zinc/36/89/10/634368910.db2.gz RURFPPLQABIQKQ-NEPJUHHUSA-N 2 0 225.380 1.106 20 0 BDADRP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925701375 634374812 /nfs/dbraw/zinc/37/48/12/634374812.db2.gz YMESMUYICXQFAI-LPWJVIDDSA-N 2 0 239.407 1.480 20 0 BDADRP CC(C)(C[NH2+][C@H]1CCC[C@@H]1[NH3+])C1CCOCC1 ZINC000259083868 635241716 /nfs/dbraw/zinc/24/17/16/635241716.db2.gz RHZJZTDIBOJHRM-STQMWFEESA-N 2 0 240.391 1.909 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925837900 635496448 /nfs/dbraw/zinc/49/64/48/635496448.db2.gz IYKYRSPSSUKCNQ-MGPQQGTHSA-N 3 0 239.407 1.626 20 0 BDADRP COC[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])C(C)C ZINC000925873896 635595204 /nfs/dbraw/zinc/59/52/04/635595204.db2.gz MWGOWPVMMHGWJI-RWMBFGLXSA-N 2 0 228.380 1.622 20 0 BDADRP C[C@@H](CC1CCOCC1)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925874981 635595239 /nfs/dbraw/zinc/59/52/39/635595239.db2.gz ARBGRQPHLZLQBL-YUTCNCBUSA-N 2 0 240.391 1.909 20 0 BDADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)C(C)(C)CO ZINC000925010643 635846739 /nfs/dbraw/zinc/84/67/39/635846739.db2.gz NAQSVJFUZHJSJK-VXGBXAGGSA-N 2 0 228.380 1.325 20 0 BDADRP CC[NH+]1CCC(Nc2cc(C)[nH+]c(N)n2)CC1 ZINC000221085604 636341084 /nfs/dbraw/zinc/34/10/84/636341084.db2.gz FXTXCHCRKMYMRE-UHFFFAOYSA-N 2 0 235.335 1.263 20 0 BDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)OCCC[NH+](C)C ZINC000923887991 636961274 /nfs/dbraw/zinc/96/12/74/636961274.db2.gz KDUBVCRGFVGXHS-LBPRGKRZSA-N 2 0 242.363 1.354 20 0 BDADRP COCC1([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902363382 637300065 /nfs/dbraw/zinc/30/00/65/637300065.db2.gz LWXIRRCGRPJASD-LLVKDONJSA-N 2 0 226.364 1.533 20 0 BDADRP C[C@@H](N[C@@H]1C[NH2+]CC1(C)C)[C@@H]1CCCC[NH2+]1 ZINC000902446441 637305592 /nfs/dbraw/zinc/30/55/92/637305592.db2.gz SYZQCKSPSHCGOX-GRYCIOLGSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H](N[C@H]1C[NH2+]CC1(C)C)[C@@H]1CCCC[NH2+]1 ZINC000902446467 637306523 /nfs/dbraw/zinc/30/65/23/637306523.db2.gz SYZQCKSPSHCGOX-WOPDTQHZSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H]1CCO ZINC000903463436 637365161 /nfs/dbraw/zinc/36/51/61/637365161.db2.gz AZGHXYCAXUSNMU-MQYQWHSLSA-N 2 0 240.391 1.597 20 0 BDADRP CCO[C@@H](CN1CCCC[C@H]1C[NH2+]C)C1CC1 ZINC000903529078 637367437 /nfs/dbraw/zinc/36/74/37/637367437.db2.gz HAIHMHQRKYNOJV-KBPBESRZSA-N 2 0 240.391 1.875 20 0 BDADRP C[NH2+]CCC[N@@H+]1CCC[C@H]1COC(C)(C)C ZINC000903565451 637371750 /nfs/dbraw/zinc/37/17/50/637371750.db2.gz LHKIKUVJFQKIFW-LBPRGKRZSA-N 2 0 228.380 1.875 20 0 BDADRP CC(C)[C@H](C)[N@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722253 637378387 /nfs/dbraw/zinc/37/83/87/637378387.db2.gz JQIMQDAYDAXIOC-MELADBBJSA-N 2 0 240.391 1.731 20 0 BDADRP CC[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903721990 637379659 /nfs/dbraw/zinc/37/96/59/637379659.db2.gz GSVIWTRPJXXNNY-RDBSUJKOSA-N 2 0 238.375 1.629 20 0 BDADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903788522 637381797 /nfs/dbraw/zinc/38/17/97/637381797.db2.gz NDAUIGLYJGPBAC-CHWSQXEVSA-N 3 0 225.380 1.047 20 0 BDADRP Cc1cnc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)nc1 ZINC000903788208 637381962 /nfs/dbraw/zinc/38/19/62/637381962.db2.gz FWYBQQFDQBGQAD-NWDGAFQWSA-N 2 0 234.347 1.202 20 0 BDADRP C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C[C@@H]1CCCC[NH2+]C1 ZINC000903786693 637382489 /nfs/dbraw/zinc/38/24/89/637382489.db2.gz PDVYRYDOCUQYRK-IGQOVBAYSA-N 2 0 239.407 1.447 20 0 BDADRP CCO[C@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000904428942 637399065 /nfs/dbraw/zinc/39/90/65/637399065.db2.gz RQAGYPXMKSPNBS-XQQFMLRXSA-N 2 0 226.364 1.485 20 0 BDADRP COCC(C)(C)CN1CC[C@]2(C1)CCCC[NH2+]2 ZINC000904430655 637399725 /nfs/dbraw/zinc/39/97/25/637399725.db2.gz RZLSCPVKIMEYKW-AWEZNQCLSA-N 2 0 240.391 1.877 20 0 BDADRP CC(C)([NH3+])C[NH2+]CCc1c(F)cc(O)cc1F ZINC000904432567 637400394 /nfs/dbraw/zinc/40/03/94/637400394.db2.gz CAZVOGZLLTVXGU-UHFFFAOYSA-N 2 0 244.285 1.540 20 0 BDADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cncc(O)c2)C1 ZINC000904432825 637401416 /nfs/dbraw/zinc/40/14/16/637401416.db2.gz GZDULWCSPRMVMM-QWRGUYRKSA-N 2 0 221.304 1.147 20 0 BDADRP [NH3+]CCC[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000904442557 637410050 /nfs/dbraw/zinc/41/00/50/637410050.db2.gz DBCGEVDBEYPFED-LLVKDONJSA-N 2 0 224.279 1.588 20 0 BDADRP C[C@H]1C[C@@H](C[NH2+][C@]23C[C@H]2CCC3)CC[NH2+]1 ZINC000904444941 637414259 /nfs/dbraw/zinc/41/42/59/637414259.db2.gz UAYNWGGEPDSWBH-WUHRBBMRSA-N 2 0 208.349 1.907 20 0 BDADRP CSCC(C)(C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904473653 637425636 /nfs/dbraw/zinc/42/56/36/637425636.db2.gz AQMWOMJFPMUBPL-DTORHVGOSA-N 2 0 202.367 1.455 20 0 BDADRP C[C@]1(C[N@@H+]2C[C@@H]3CSC[C@]3(C)C2)CC[NH2+]C1 ZINC000904474325 637425798 /nfs/dbraw/zinc/42/57/98/637425798.db2.gz DLVCMTWSLIAYOA-AGIUHOORSA-N 2 0 240.416 1.671 20 0 BDADRP CC(C)C[C@@H]([NH3+])CNc1ccccc1C[NH3+] ZINC000904485121 637427505 /nfs/dbraw/zinc/42/75/05/637427505.db2.gz MEVCUGKFZHOPFB-GFCCVEGCSA-N 2 0 221.348 1.931 20 0 BDADRP CCC[C@](C)([NH3+])C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000904931159 637534488 /nfs/dbraw/zinc/53/44/88/637534488.db2.gz JLUTXYMIQVAHOY-XZUYRWCXSA-N 2 0 241.379 1.007 20 0 BDADRP C[C@@H](C[NH3+])n1cc(C[N@H+](C)C(C)(C)C)nn1 ZINC000905056712 637589236 /nfs/dbraw/zinc/58/92/36/637589236.db2.gz DMKWPHDCPLKABA-VIFPVBQESA-N 2 0 225.340 1.028 20 0 BDADRP C[C@](O)(C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)C(F)F ZINC000905058432 637593069 /nfs/dbraw/zinc/59/30/69/637593069.db2.gz GPHXDACETQVGPX-CABZTGNLSA-N 2 0 248.317 1.076 20 0 BDADRP C[NH2+]CCCCc1nc([C@@H]2CCC[NH2+]2)no1 ZINC000905305873 637764339 /nfs/dbraw/zinc/76/43/39/637764339.db2.gz YMQFAXZRNGJUQX-VIFPVBQESA-N 2 0 224.308 1.036 20 0 BDADRP Cc1ccc(-c2n[nH]cc2C[NH2+]C2CC([NH3+])C2)o1 ZINC000906510589 638184324 /nfs/dbraw/zinc/18/43/24/638184324.db2.gz MNSHBFZRNZTHOP-UHFFFAOYSA-N 2 0 246.314 1.557 20 0 BDADRP COC(=O)c1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)cc1 ZINC000906516711 638187711 /nfs/dbraw/zinc/18/77/11/638187711.db2.gz IJBXXNIVTACSEE-HAQNSBGRSA-N 2 0 234.299 1.053 20 0 BDADRP Cc1ccc(F)cc1C[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC000906517737 638188193 /nfs/dbraw/zinc/18/81/93/638188193.db2.gz OKFZERYDMAPNIR-HAQNSBGRSA-N 2 0 208.280 1.713 20 0 BDADRP CC[NH2+]Cc1ccccc1NC(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC000911685049 639726481 /nfs/dbraw/zinc/72/64/81/639726481.db2.gz MEOOATWVBOFINL-VXGBXAGGSA-N 2 0 247.342 1.329 20 0 BDADRP CC(C)C[C@H]([NH3+])CC(=O)NC1CCC([NH3+])CC1 ZINC000911726784 639753265 /nfs/dbraw/zinc/75/32/65/639753265.db2.gz HEDBSMAODXRJGS-CXQJBGSLSA-N 2 0 241.379 1.136 20 0 BDADRP CC(C)C[C@@H]([NH3+])CC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000911820494 639836666 /nfs/dbraw/zinc/83/66/66/639836666.db2.gz RXVNEEGQNNPWLS-VXGBXAGGSA-N 2 0 243.395 1.240 20 0 BDADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])CC(C)C ZINC000911817787 639850202 /nfs/dbraw/zinc/85/02/02/639850202.db2.gz GVPKDWSURZIKSO-SDDRHHMPSA-N 2 0 243.395 1.240 20 0 BDADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]([NH3+])C[C@H](C)CC ZINC000911881400 639867253 /nfs/dbraw/zinc/86/72/53/639867253.db2.gz QXQKOOSLAAHFTP-IJLUTSLNSA-N 2 0 243.395 1.384 20 0 BDADRP C[NH+](C)[C@@H]1[C@H]2CN(C[C@@H]3CCC(C)(C)O3)C[C@H]21 ZINC000931278612 640124524 /nfs/dbraw/zinc/12/45/24/640124524.db2.gz HZAMLGDAILATFA-WUHRBBMRSA-N 2 0 238.375 1.436 20 0 BDADRP C[NH+](C)[C@@H]1[C@H]2CN(C[C@H]3CCC(C)(C)O3)C[C@H]21 ZINC000931278611 640125380 /nfs/dbraw/zinc/12/53/80/640125380.db2.gz HZAMLGDAILATFA-NDBYEHHHSA-N 2 0 238.375 1.436 20 0 BDADRP C[N@@H+]1CC[C@@H]2C[NH+](C/C=C\Cl)C[C@@H]2C1 ZINC000931428954 640197623 /nfs/dbraw/zinc/19/76/23/640197623.db2.gz DNNGIODMDBIPCW-ADAMHKFESA-N 2 0 214.740 1.622 20 0 BDADRP C[C@H](C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000931717684 640335714 /nfs/dbraw/zinc/33/57/14/640335714.db2.gz AEMPUVKZSHCTMP-RTXFEEFZSA-N 2 0 208.349 1.953 20 0 BDADRP CC[C@@H](CO)[NH+]1CCC(CC)([NH+]2CCC2)CC1 ZINC000931752476 640350043 /nfs/dbraw/zinc/35/00/43/640350043.db2.gz MTNQTNVFPFTXPC-ZDUSSCGKSA-N 2 0 240.391 1.708 20 0 BDADRP C[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@H]2O)CC1 ZINC000044518025 640399144 /nfs/dbraw/zinc/39/91/44/640399144.db2.gz AKQHSFKGYFDQFC-CHWSQXEVSA-N 2 0 226.364 1.221 20 0 BDADRP CC(C)CCOCC[NH2+]CC1CC[NH+](C)CC1 ZINC000044518050 640399267 /nfs/dbraw/zinc/39/92/67/640399267.db2.gz ATTUKARGISYLPP-UHFFFAOYSA-N 2 0 242.407 1.981 20 0 BDADRP Cn1cc(C[N@H+](C)C2CCC([NH3+])CC2)cn1 ZINC000055144528 640439018 /nfs/dbraw/zinc/43/90/18/640439018.db2.gz MKEDXMBOIADETH-UHFFFAOYSA-N 2 0 222.336 1.122 20 0 BDADRP C[N@H+](C[C@H]1CCCCO1)C1CCC([NH3+])CC1 ZINC000055144512 640439301 /nfs/dbraw/zinc/43/93/01/640439301.db2.gz OVNYSXASBLRYHL-WXRRBKDZSA-N 2 0 226.364 1.757 20 0 BDADRP C[C@@H]1CC[N@H+](CC[C@H]2CCC[NH+]2C)CCO1 ZINC000932346142 640488378 /nfs/dbraw/zinc/48/83/78/640488378.db2.gz FUKJKCGCHIXKHW-CHWSQXEVSA-N 2 0 226.364 1.582 20 0 BDADRP C[C@H]([NH2+]CCCCCCO)C1CC[NH+](C)CC1 ZINC000224779381 640643555 /nfs/dbraw/zinc/64/35/55/640643555.db2.gz PLRIUGRGPJPKHZ-ZDUSSCGKSA-N 2 0 242.407 1.859 20 0 BDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC000224882301 640645548 /nfs/dbraw/zinc/64/55/48/640645548.db2.gz IAMRDIPSTPLJLD-NWANDNLSSA-N 2 0 248.370 1.779 20 0 BDADRP C[C@H]([NH3+])C1CC[NH+](CCCCCCO)CC1 ZINC000226420149 640761737 /nfs/dbraw/zinc/76/17/37/640761737.db2.gz IQZZQZOHSLLYKU-LBPRGKRZSA-N 2 0 228.380 1.598 20 0 BDADRP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3CCCO3)C[C@]2(C)C1 ZINC000933746047 640761890 /nfs/dbraw/zinc/76/18/90/640761890.db2.gz SVZBELWDZYCJOB-AGIUHOORSA-N 2 0 224.348 1.049 20 0 BDADRP CC[N@H+](CCc1ccccn1)C[C@H]1CCC[NH2+]C1 ZINC000226439469 640765669 /nfs/dbraw/zinc/76/56/69/640765669.db2.gz KAJQTKWVTWDPCL-AWEZNQCLSA-N 2 0 247.386 1.946 20 0 BDADRP C=C/C=C/CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000713735586 711494460 /nfs/dbraw/zinc/49/44/60/711494460.db2.gz PRGDNEPXVZCERM-HNFMAKEJSA-N 2 0 206.333 1.803 20 0 BDADRP CCOCCC[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000227767174 640848102 /nfs/dbraw/zinc/84/81/02/640848102.db2.gz WCFZFUMNLKKCJT-RYUDHWBXSA-N 2 0 214.353 1.330 20 0 BDADRP CC(C)(C)NC(=O)CC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000228335722 640870861 /nfs/dbraw/zinc/87/08/61/640870861.db2.gz GFABVYDYNSZTNV-GHMZBOCLSA-N 2 0 241.379 1.008 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cncs3)C[C@H]21 ZINC000228535826 640880253 /nfs/dbraw/zinc/88/02/53/640880253.db2.gz SSFLHKJCCXDLLQ-MVWJERBFSA-N 2 0 237.372 1.702 20 0 BDADRP C[NH+]1CCC(CC[NH2+][C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000229938018 640996596 /nfs/dbraw/zinc/99/65/96/640996596.db2.gz VFNQAVYEZPNQMP-KBPBESRZSA-N 3 0 239.407 1.435 20 0 BDADRP CC(C)NC(=[NH2+])NC[C@H](C)C[NH+]1CCCC1 ZINC000062072519 641020177 /nfs/dbraw/zinc/02/01/77/641020177.db2.gz YOXCTWHYSRRUKL-NSHDSACASA-N 2 0 226.368 1.241 20 0 BDADRP CCN(CCC[NH+](CC)CC)[C@H]1CC[NH2+]C1 ZINC000230715502 641086420 /nfs/dbraw/zinc/08/64/20/641086420.db2.gz XIPUJSIPELURPU-ZDUSSCGKSA-N 2 0 227.396 1.402 20 0 BDADRP COC(=O)[C@@H](C)C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000063121065 641134419 /nfs/dbraw/zinc/13/44/19/641134419.db2.gz PNHMSFACWKJNIA-NSHDSACASA-N 2 0 242.363 1.069 20 0 BDADRP C[C@@H](O)CC[N@H+](C)CC1CC[NH+](C)CC1 ZINC000063121494 641134544 /nfs/dbraw/zinc/13/45/44/641134544.db2.gz ZDUATKPSYMDPAM-LLVKDONJSA-N 2 0 214.353 1.031 20 0 BDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCSC(F)(F)F ZINC000231940087 641217131 /nfs/dbraw/zinc/21/71/31/641217131.db2.gz VUXLGQRQFKHDCF-SFYZADRCSA-N 2 0 242.310 1.956 20 0 BDADRP [NH3+]CC1CC[NH+](C[C@@H](O)CC2CCCC2)CC1 ZINC000232148403 641249313 /nfs/dbraw/zinc/24/93/13/641249313.db2.gz ONBNXSPOSJUFFK-AWEZNQCLSA-N 2 0 240.391 1.598 20 0 BDADRP CC(C)COCC[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000232671257 641338988 /nfs/dbraw/zinc/33/89/88/641338988.db2.gz ODQIBPBVVCZBJQ-OLZOCXBDSA-N 2 0 228.380 1.576 20 0 BDADRP CC(C)[C@@H]1CC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000232700322 641362328 /nfs/dbraw/zinc/36/23/28/641362328.db2.gz BIGBWHGAFMVYTE-UPJWGTAASA-N 2 0 210.365 1.820 20 0 BDADRP C[C@@H]([NH3+])CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000040802658 641537296 /nfs/dbraw/zinc/53/72/96/641537296.db2.gz BHDBPITYZSSVMF-DGCLKSJQSA-N 2 0 249.358 1.143 20 0 BDADRP C[N@@H+](Cc1cnc[nH]1)CC1CC[NH+](C)CC1 ZINC000093088912 641583625 /nfs/dbraw/zinc/58/36/25/641583625.db2.gz ZMAGATUJBQRLNZ-UHFFFAOYSA-N 2 0 222.336 1.183 20 0 BDADRP CC1(CNC(=O)CCCCC[NH3+])CC[NH2+]CC1 ZINC000155840447 641584964 /nfs/dbraw/zinc/58/49/64/641584964.db2.gz CCLLPHBCONSFBV-UHFFFAOYSA-N 2 0 241.379 1.011 20 0 BDADRP C[C@@H](CCO)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000305119580 642641785 /nfs/dbraw/zinc/64/17/85/642641785.db2.gz JENXKTROFTUMSV-LBPRGKRZSA-N 2 0 240.391 1.754 20 0 BDADRP C[C@H](CCO)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000305119578 642642443 /nfs/dbraw/zinc/64/24/43/642642443.db2.gz JENXKTROFTUMSV-GFCCVEGCSA-N 2 0 240.391 1.754 20 0 BDADRP CCO[C@@H]1C[C@@H]([NH2+]CCC(C)(C)[NH3+])C1(C)C ZINC000233742325 642692738 /nfs/dbraw/zinc/69/27/38/642692738.db2.gz FONHFJPAWIDMRO-GHMZBOCLSA-N 2 0 228.380 1.907 20 0 BDADRP COCCCC[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000130930853 642894874 /nfs/dbraw/zinc/89/48/74/642894874.db2.gz DDGNSIMMAZUSSF-NWDGAFQWSA-N 2 0 214.353 1.330 20 0 BDADRP Cn1cc(CC[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cn1 ZINC000334252635 643273786 /nfs/dbraw/zinc/27/37/86/643273786.db2.gz LJBNCZQDJPZMDY-AWEZNQCLSA-N 2 0 248.374 1.038 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]CCCCCC[NH3+])c2nccn21 ZINC000843343246 643308629 /nfs/dbraw/zinc/30/86/29/643308629.db2.gz YJYVNVPLKGRDCO-NEPJUHHUSA-N 2 0 236.363 1.998 20 0 BDADRP Cc1cccc2c1CC[N@H+](CCC[NH3+])C2 ZINC000082790875 643382556 /nfs/dbraw/zinc/38/25/56/643382556.db2.gz PHGGDUWOTCWZLT-UHFFFAOYSA-N 2 0 204.317 1.702 20 0 BDADRP C[C@H]1[C@@H]([NH3+])CCN1CCc1cccs1 ZINC000307079584 643406069 /nfs/dbraw/zinc/40/60/69/643406069.db2.gz HUKVAKYGCGBABM-ONGXEEELSA-N 2 0 210.346 1.712 20 0 BDADRP CC[N@@H+]1CCCN(c2cc[nH+]cc2CO)CC1 ZINC000307768904 643644737 /nfs/dbraw/zinc/64/47/37/643644737.db2.gz DPNQIOZPPIWDTR-UHFFFAOYSA-N 2 0 235.331 1.106 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccn1 ZINC000084215631 643650239 /nfs/dbraw/zinc/65/02/39/643650239.db2.gz ZRLBCFWHDNBUSD-AAEUAGOBSA-N 2 0 219.332 1.689 20 0 BDADRP Cc1ncsc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000084221851 643650330 /nfs/dbraw/zinc/65/03/30/643650330.db2.gz GLVFQJARSGTOQL-UWVGGRQHSA-N 2 0 225.361 1.669 20 0 BDADRP C[C@H](CN[C@H]1CCCC[C@@H]1C[NH3+])[NH+](C)C ZINC000084216336 643651001 /nfs/dbraw/zinc/65/10/01/643651001.db2.gz QOVAJCCYEFRQNU-UTUOFQBUSA-N 2 0 213.369 1.044 20 0 BDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCC(F)(F)F ZINC000084221752 643651510 /nfs/dbraw/zinc/65/15/10/643651510.db2.gz OHOBDVDHXPMXTQ-JGVFFNPUSA-N 2 0 210.243 1.656 20 0 BDADRP CCOC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000084216544 643651671 /nfs/dbraw/zinc/65/16/71/643651671.db2.gz AQCAWDUZUOJUBD-TUAOUCFPSA-N 2 0 214.353 1.519 20 0 BDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccn1 ZINC000084215629 643651857 /nfs/dbraw/zinc/65/18/57/643651857.db2.gz ZRLBCFWHDNBUSD-WCQYABFASA-N 2 0 219.332 1.689 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@@H]2CCC=CO2)CC1 ZINC000050269443 643672552 /nfs/dbraw/zinc/67/25/52/643672552.db2.gz RRLOEYLBRISJGH-ZDUSSCGKSA-N 2 0 224.348 1.753 20 0 BDADRP C1=CO[C@H](C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000050269143 643673698 /nfs/dbraw/zinc/67/36/98/643673698.db2.gz IZELUJRURDIXCP-OCCSQVGLSA-N 2 0 236.359 1.753 20 0 BDADRP CC[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C[C@@H]1CCCO1 ZINC000085015123 643678704 /nfs/dbraw/zinc/67/87/04/643678704.db2.gz RIPSMSLPXUPCCK-AGIUHOORSA-N 2 0 226.364 1.615 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCCO1 ZINC000085015781 643679357 /nfs/dbraw/zinc/67/93/57/643679357.db2.gz AQDORIHVMQGPNZ-UTUOFQBUSA-N 2 0 212.337 1.225 20 0 BDADRP C[C@H]1C[NH+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H](C)S1 ZINC000085016073 643679890 /nfs/dbraw/zinc/67/98/90/643679890.db2.gz XHFGPQMUOBLBCM-YFKTTZPYSA-N 2 0 228.405 1.940 20 0 BDADRP C[NH+]1CCC(C)(C[NH2+]Cc2cc[nH]c(=O)c2)CC1 ZINC000921978262 643836723 /nfs/dbraw/zinc/83/67/23/643836723.db2.gz CEZNKHYESCZLKO-UHFFFAOYSA-N 2 0 249.358 1.609 20 0 BDADRP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2CCOC2)CC1 ZINC000922847159 644119741 /nfs/dbraw/zinc/11/97/41/644119741.db2.gz KYQKTCSAHSBPOE-ROKHWSDSSA-N 2 0 238.375 1.772 20 0 BDADRP C[N@H+](CC1CC[NH+](C)CC1)C[C@H]1CCC=CO1 ZINC000193880029 644285204 /nfs/dbraw/zinc/28/52/04/644285204.db2.gz HMXUHRVALVDHPH-CQSZACIVSA-N 2 0 238.375 1.953 20 0 BDADRP C[C@H]1C[C@H]([NH2+]C2CCC([NH3+])CC2)CS1 ZINC000086935811 644298138 /nfs/dbraw/zinc/29/81/38/644298138.db2.gz RBKOONRLPRYWDM-PMUOWJKOSA-N 2 0 214.378 1.740 20 0 BDADRP Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000923281728 644313884 /nfs/dbraw/zinc/31/38/84/644313884.db2.gz ROZCHHSNIZDBPV-DZGCQCFKSA-N 2 0 248.370 1.699 20 0 BDADRP CC(C)CC[C@@H](O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000923280908 644314869 /nfs/dbraw/zinc/31/48/69/644314869.db2.gz JTCQATBAZRIOBN-VXGBXAGGSA-N 2 0 214.353 1.064 20 0 BDADRP Cc1ccc([C@H](O)C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000923281730 644314976 /nfs/dbraw/zinc/31/49/76/644314976.db2.gz ROZCHHSNIZDBPV-UKRRQHHQSA-N 2 0 248.370 1.699 20 0 BDADRP C[C@H]([NH3+])[C@H]1CCCN(CCC[NH2+]C2CC2)C1 ZINC000923287230 644320940 /nfs/dbraw/zinc/32/09/40/644320940.db2.gz CKRAFBKNUVTQJI-RYUDHWBXSA-N 2 0 225.380 1.188 20 0 BDADRP CC(C)CC[C@@H](O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000923293837 644330493 /nfs/dbraw/zinc/33/04/93/644330493.db2.gz CUERWDDPIZLBIO-JXQTWKCFSA-N 2 0 242.407 1.985 20 0 BDADRP C[C@](C[NH3+])([NH2+]C[C@@H](O)CC1CCCC1)C1CC1 ZINC000923295784 644331874 /nfs/dbraw/zinc/33/18/74/644331874.db2.gz HFTDHESYCYIGCQ-UONOGXRCSA-N 2 0 240.391 1.645 20 0 BDADRP CC(C)[C@@H]1CCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923304226 644340942 /nfs/dbraw/zinc/34/09/42/644340942.db2.gz PMRPFURAGVPUGJ-OLZOCXBDSA-N 2 0 238.375 1.485 20 0 BDADRP C[C@@H]1C[C@H](C)[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923313635 644341338 /nfs/dbraw/zinc/34/13/38/644341338.db2.gz IICPBVICFQOVOI-GRYCIOLGSA-N 2 0 224.348 1.095 20 0 BDADRP C[C@@H]([N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1)C1(C)CC1 ZINC000923317216 644342704 /nfs/dbraw/zinc/34/27/04/644342704.db2.gz BZWXJHOWKANBPZ-VXGBXAGGSA-N 2 0 238.375 1.485 20 0 BDADRP CC(C)[C@H]1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923315861 644343099 /nfs/dbraw/zinc/34/30/99/644343099.db2.gz NDKAZEDHUYABNB-XUXIUFHCSA-N 2 0 240.391 1.595 20 0 BDADRP CC[C@H](C)C[N@H+](CC)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923315152 644344783 /nfs/dbraw/zinc/34/47/83/644344783.db2.gz QDXMDRMYKDYCQH-QWHCGFSZSA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H](C[N@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O)c1ccccc1 ZINC000923312049 644346699 /nfs/dbraw/zinc/34/66/99/644346699.db2.gz GYFTZPTYTIPSOH-MXAVVETBSA-N 2 0 248.370 1.573 20 0 BDADRP C[C@@H]1CCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)[C@H]1C ZINC000923310577 644347723 /nfs/dbraw/zinc/34/77/23/644347723.db2.gz KDYAURYKEWHYHF-AGIUHOORSA-N 2 0 238.375 1.485 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCC[NH2+]C3CC3)C[C@@H]21 ZINC000923330820 644348734 /nfs/dbraw/zinc/34/87/34/644348734.db2.gz CEPGNAFHQXUFHS-KWCYVHTRSA-N 3 0 237.391 1.188 20 0 BDADRP CCN(CCC[NH2+]C1CC1)[C@@H]1CCC[NH2+]CC1 ZINC000923335583 644356716 /nfs/dbraw/zinc/35/67/16/644356716.db2.gz NIQHCEKJRAOIBI-CQSZACIVSA-N 2 0 239.407 1.593 20 0 BDADRP CC[C@H]1CN(CCC[NH2+]C2CC2)CC[C@@H]1[NH3+] ZINC000923343356 644362844 /nfs/dbraw/zinc/36/28/44/644362844.db2.gz AIFGAAPVCXVJTH-AAEUAGOBSA-N 2 0 225.380 1.188 20 0 BDADRP Cc1ccc([C@@H](O)C[NH+]2CCC(C)([NH3+])CC2)cc1 ZINC000923346060 644365870 /nfs/dbraw/zinc/36/58/70/644365870.db2.gz NCOMRXOHWJCBJR-AWEZNQCLSA-N 2 0 248.370 1.842 20 0 BDADRP C[C@H](O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000923358987 644366813 /nfs/dbraw/zinc/36/68/13/644366813.db2.gz NSPOZWFIEIKBLM-RWMBFGLXSA-N 2 0 226.364 1.079 20 0 BDADRP C[C@H]1[C@@H]([NH3+])CCN1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923354983 644373543 /nfs/dbraw/zinc/37/35/43/644373543.db2.gz XRBWOBTZYZXKMH-WYTNZGFTSA-N 2 0 237.391 1.329 20 0 BDADRP COC(=O)C[C@H]1CCC[N@@H+]1CCC[NH2+]C1CC1 ZINC000923373087 644389974 /nfs/dbraw/zinc/38/99/74/644389974.db2.gz MHIVZMYADFNZCO-GFCCVEGCSA-N 2 0 240.347 1.156 20 0 BDADRP C[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@H]([NH3+])C[C@@H]2O)[C@@H](C)C1 ZINC000923376361 644391135 /nfs/dbraw/zinc/39/11/35/644391135.db2.gz AHZIBVWUUCYXHF-USTYEKHQSA-N 2 0 226.364 1.251 20 0 BDADRP CC1(C)CCC[C@@H]1[NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923379398 644391867 /nfs/dbraw/zinc/39/18/67/644391867.db2.gz PBQNYLTXBWWJFS-RYUDHWBXSA-N 2 0 238.375 1.533 20 0 BDADRP CSC[C@H](O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000923383490 644397231 /nfs/dbraw/zinc/39/72/31/644397231.db2.gz SIJNEXYYHQEOHL-WISYIIOYSA-N 2 0 246.420 1.016 20 0 BDADRP CC[C@H](C)[N@H+](CC)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923386170 644399894 /nfs/dbraw/zinc/39/98/94/644399894.db2.gz GCODKLOQNGWNCX-NWDGAFQWSA-N 2 0 226.364 1.485 20 0 BDADRP C(CN[C@@H]1CC[NH2+]C12CCC2)C[NH2+]C1CC1 ZINC000923397907 644403981 /nfs/dbraw/zinc/40/39/81/644403981.db2.gz GDFSICQFRUVGNJ-GFCCVEGCSA-N 2 0 223.364 1.003 20 0 BDADRP C[C@@H]([NH3+])C[N@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923408887 644412060 /nfs/dbraw/zinc/41/20/60/644412060.db2.gz INMQWKDIRDUPFT-ODWCKFRGSA-N 3 0 225.380 1.186 20 0 BDADRP C[C@@H]1C[C@@H]1C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923444948 644429680 /nfs/dbraw/zinc/42/96/80/644429680.db2.gz IVYPHRGPNIVTIF-UPJWGTAASA-N 2 0 238.375 1.472 20 0 BDADRP CC(C)[C@H](C)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923445557 644429720 /nfs/dbraw/zinc/42/97/20/644429720.db2.gz KGLSIPNDGITUKP-STQMWFEESA-N 2 0 240.391 1.861 20 0 BDADRP CC(C)C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923455910 644435527 /nfs/dbraw/zinc/43/55/27/644435527.db2.gz ACCOBDIHYIOGMC-GFCCVEGCSA-N 2 0 226.364 1.472 20 0 BDADRP C[N@H+](CC[C@@H]1CCCO1)C1CCC([NH3+])CC1 ZINC000085869848 644451572 /nfs/dbraw/zinc/45/15/72/644451572.db2.gz SMGNUPOXYCADEG-BPCQOVAHSA-N 2 0 226.364 1.757 20 0 BDADRP CCCCOC(=O)CC[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923480884 644458242 /nfs/dbraw/zinc/45/82/42/644458242.db2.gz MEASDMXCZOJISY-GFCCVEGCSA-N 2 0 242.363 1.391 20 0 BDADRP Cc1cc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)nc(C)n1 ZINC000923482267 644458507 /nfs/dbraw/zinc/45/85/07/644458507.db2.gz YCZAZKCJJREQMV-GFCCVEGCSA-N 2 0 234.347 1.264 20 0 BDADRP Cc1csc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)n1 ZINC000923496272 644461369 /nfs/dbraw/zinc/46/13/69/644461369.db2.gz GZFRICQRBJSPEQ-MWLCHTKSSA-N 2 0 239.388 1.868 20 0 BDADRP Nc1cccc(C[N@@H+]2CC[C@H](CC[NH3+])C2)c1 ZINC000923485471 644462768 /nfs/dbraw/zinc/46/27/68/644462768.db2.gz SBYZGFIUSHCZFX-NSHDSACASA-N 2 0 219.332 1.440 20 0 BDADRP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923495766 644463576 /nfs/dbraw/zinc/46/35/76/644463576.db2.gz XQCAEYHWVOUPAA-KGLIPLIRSA-N 2 0 241.423 1.635 20 0 BDADRP COC1CC(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)C1 ZINC000923491937 644468606 /nfs/dbraw/zinc/46/86/06/644468606.db2.gz VIAKSFPDYTWUKP-GMKTYKIGSA-N 2 0 226.364 1.328 20 0 BDADRP C[C@@H]1C[N@H+](CC2CC=CC2)CC[C@H]1C[NH3+] ZINC000923491780 644468706 /nfs/dbraw/zinc/46/87/06/644468706.db2.gz UDOKAQUUIFZRNE-YPMHNXCESA-N 2 0 208.349 1.869 20 0 BDADRP C[C@H]1C[N@H+](Cc2ccncc2)CC[C@H]1C[NH3+] ZINC000923497102 644470476 /nfs/dbraw/zinc/47/04/76/644470476.db2.gz KYXKCZDABBRVBD-AAEUAGOBSA-N 2 0 219.332 1.498 20 0 BDADRP Cc1nc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cs1 ZINC000923499406 644472680 /nfs/dbraw/zinc/47/26/80/644472680.db2.gz KIJXZCVSNFQDNU-MWLCHTKSSA-N 2 0 239.388 1.868 20 0 BDADRP Cc1nc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cs1 ZINC000923499403 644473419 /nfs/dbraw/zinc/47/34/19/644473419.db2.gz KIJXZCVSNFQDNU-GXSJLCMTSA-N 2 0 239.388 1.868 20 0 BDADRP C[C@@H]1C[N@H+](CCOCC(F)F)CC[C@H]1C[NH3+] ZINC000923501655 644475657 /nfs/dbraw/zinc/47/56/57/644475657.db2.gz RUQPNQNBBBXVCY-ZJUUUORDSA-N 2 0 236.306 1.185 20 0 BDADRP c1csc(CC[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923518002 644479329 /nfs/dbraw/zinc/47/93/29/644479329.db2.gz IJMPPBCNHOVYQS-NWDGAFQWSA-N 2 0 236.384 1.832 20 0 BDADRP CCO[C@H](C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)C1CC1 ZINC000923516286 644480259 /nfs/dbraw/zinc/48/02/59/644480259.db2.gz YBZBMLILEFLMFE-BFHYXJOUSA-N 2 0 238.375 1.343 20 0 BDADRP C[C@@H](c1ccncc1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518911 644482610 /nfs/dbraw/zinc/48/26/10/644482610.db2.gz ZDIDSEFMOCRWJW-FPMFFAJLSA-N 2 0 231.343 1.684 20 0 BDADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923531094 644487925 /nfs/dbraw/zinc/48/79/25/644487925.db2.gz PBENCFQMKDWYFP-BFHYXJOUSA-N 2 0 238.375 1.629 20 0 BDADRP [NH3+]CCCCCCN1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923534009 644490503 /nfs/dbraw/zinc/49/05/03/644490503.db2.gz QJGKFHLQTKVSHV-AWEZNQCLSA-N 2 0 239.407 1.724 20 0 BDADRP C([C@@H]1CCC[NH2+]C1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923533387 644490581 /nfs/dbraw/zinc/49/05/81/644490581.db2.gz KTQCFXYRMHFLOE-KGLIPLIRSA-N 2 0 237.391 1.204 20 0 BDADRP C[N@H+](CC[C@H]1CC[NH2+]C1)Cc1cccc(=O)[nH]1 ZINC000923552969 644494073 /nfs/dbraw/zinc/49/40/73/644494073.db2.gz GORYAFWSJDOHNS-LLVKDONJSA-N 2 0 235.331 1.219 20 0 BDADRP [NH3+]CC[C@@H]1CN(C[C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000923554545 644497797 /nfs/dbraw/zinc/49/77/97/644497797.db2.gz JHESGKNMVDVSOZ-CHWSQXEVSA-N 2 0 245.370 1.549 20 0 BDADRP CC(C)OCC[N@H+](C)CCCCCC[NH3+] ZINC000087978022 644506993 /nfs/dbraw/zinc/50/69/93/644506993.db2.gz FVJNCQKVSITPPS-UHFFFAOYSA-N 2 0 216.369 1.862 20 0 BDADRP CC[N@@H+]1CC[C@@H](N(C)CC(OC)OC)[C@@H](C)C1 ZINC000249289645 644718178 /nfs/dbraw/zinc/71/81/78/644718178.db2.gz ABXPBXWGVYYDLN-NWDGAFQWSA-N 2 0 244.379 1.267 20 0 BDADRP CC[N@@H+]1CCN(c2cc[nH+]c(CO)c2)C[C@H]1C ZINC000250193370 644748910 /nfs/dbraw/zinc/74/89/10/644748910.db2.gz AOEAZMDKEOXWCR-LLVKDONJSA-N 2 0 235.331 1.104 20 0 BDADRP C[C@@H]1C[N@H+](CC[C@H]2CCCO2)CC[C@H]1C[NH3+] ZINC000251733589 644818752 /nfs/dbraw/zinc/81/87/52/644818752.db2.gz KLBNTQSJGSGLFE-FRRDWIJNSA-N 2 0 226.364 1.472 20 0 BDADRP C[C@@H]1CCCN(C[C@@H](O)c2ccccc2)[C@H]1C[NH3+] ZINC000252203665 644842843 /nfs/dbraw/zinc/84/28/43/644842843.db2.gz UQFCYRZEUMVRAD-VHDGCEQUSA-N 2 0 248.370 1.779 20 0 BDADRP [NH3+]Cc1ccc(NC[C@@H]2CCC[NH2+]2)cc1 ZINC000843125550 644852151 /nfs/dbraw/zinc/85/21/51/644852151.db2.gz CACPXOCPQVBDOM-LBPRGKRZSA-N 2 0 205.305 1.309 20 0 BDADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)CC[NH+](C)C)[C@H]1OC ZINC000252764812 644903468 /nfs/dbraw/zinc/90/34/68/644903468.db2.gz FMTDPCMDEJXUML-YVECIDJPSA-N 2 0 244.379 1.109 20 0 BDADRP C([C@H]1CCC[NH2+]1)N1CCC2(C1)CCOCC2 ZINC000304450152 644909160 /nfs/dbraw/zinc/90/91/60/644909160.db2.gz XKQSPBBZPXDQEQ-GFCCVEGCSA-N 2 0 224.348 1.241 20 0 BDADRP CC(C)([NH3+])CCNC1CC[NH+](C2CC2)CC1 ZINC000304562338 644917909 /nfs/dbraw/zinc/91/79/09/644917909.db2.gz GYMOYUCCPKSCNX-UHFFFAOYSA-N 2 0 225.380 1.330 20 0 BDADRP CC1(C)CN(C(=O)CCCCCC[NH3+])CC[NH2+]1 ZINC000841856265 645230456 /nfs/dbraw/zinc/23/04/56/645230456.db2.gz MEOZLYPBEMGTRQ-UHFFFAOYSA-N 2 0 241.379 1.106 20 0 BDADRP C[C@@H]1CNC[C@H]([NH2+]CCCCCC[NH3+])C1 ZINC000843129629 645267671 /nfs/dbraw/zinc/26/76/71/645267671.db2.gz QTZOXYBDHFIIGX-NWDGAFQWSA-N 2 0 213.369 1.093 20 0 BDADRP Cc1nn(C)cc1C[NH2+]CCCCCC[NH3+] ZINC000843128654 645267981 /nfs/dbraw/zinc/26/79/81/645267981.db2.gz ZAPLBADGNUWULP-UHFFFAOYSA-N 2 0 224.352 1.337 20 0 BDADRP [NH3+]CCCCCCC[NH2+]CC1([NH3+])CCC1 ZINC000843368071 645285592 /nfs/dbraw/zinc/28/55/92/645285592.db2.gz ODARFAUVIUBPCK-UHFFFAOYSA-N 3 0 213.369 1.367 20 0 BDADRP CC[C@@H]1COC[C@H]1[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000926573764 645293294 /nfs/dbraw/zinc/29/32/94/645293294.db2.gz PNZBZOLUZRJCFZ-BFHYXJOUSA-N 2 0 240.391 1.733 20 0 BDADRP C[NH+](C)Cc1ccc(NC(=O)CC[NH3+])cc1F ZINC000844188420 645317346 /nfs/dbraw/zinc/31/73/46/645317346.db2.gz UHYSPLRZRKMAPG-UHFFFAOYSA-N 2 0 239.294 1.175 20 0 BDADRP C[C@@H]1OC[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)[C@@H]1C ZINC000926665851 645345288 /nfs/dbraw/zinc/34/52/88/645345288.db2.gz NNHRNUHZVGDLHF-FHUSYTEZSA-N 2 0 226.364 1.340 20 0 BDADRP COCCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925494180 645732244 /nfs/dbraw/zinc/73/22/44/645732244.db2.gz IZABAMKFXIHEMT-KBPBESRZSA-N 2 0 240.391 1.781 20 0 BDADRP Cc1cc(C[NH3+])cc(NC(=O)[C@H]([NH3+])CC2CC2)c1 ZINC000884370428 645874854 /nfs/dbraw/zinc/87/48/54/645874854.db2.gz JKDINXKXVXKDEO-CYBMUJFWSA-N 2 0 247.342 1.520 20 0 BDADRP COCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925500794 645943226 /nfs/dbraw/zinc/94/32/26/645943226.db2.gz FJBJJGWWXKGGRD-STQMWFEESA-N 2 0 226.364 1.391 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCn1ccnc1 ZINC000924535523 646054375 /nfs/dbraw/zinc/05/43/75/646054375.db2.gz XJDVICNTCQTAJP-PBWFPOADSA-N 2 0 248.374 1.203 20 0 BDADRP C[C@@H]1C[C@H](C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)C[C@H](C)O1 ZINC000929313511 646074083 /nfs/dbraw/zinc/07/40/83/646074083.db2.gz ZXQOMSGMRCVCRV-ZSLBOAEBSA-N 2 0 238.375 1.341 20 0 BDADRP C[C@@H]1COC[C@H]1[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000925085184 646180142 /nfs/dbraw/zinc/18/01/42/646180142.db2.gz FRVIMDIDKSUBTF-UPJWGTAASA-N 2 0 242.407 1.977 20 0 BDADRP CC[C@@H]1COC[C@H]1[NH2+]C[C@H]1CCCn2ccnc21 ZINC000925170108 646199122 /nfs/dbraw/zinc/19/91/22/646199122.db2.gz KRXZZVDQRCTMAC-JHJVBQTASA-N 2 0 249.358 1.775 20 0 BDADRP C[C@@H]1OC[C@H]([NH2+]C[C@H]2CCCn3ccnc32)[C@@H]1C ZINC000925170157 646199382 /nfs/dbraw/zinc/19/93/82/646199382.db2.gz LDKJFQHPUQNWJA-XQHKEYJVSA-N 2 0 249.358 1.774 20 0 BDADRP CCOCCCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925482033 646295775 /nfs/dbraw/zinc/29/57/75/646295775.db2.gz STMHYIJNELKIML-LBPRGKRZSA-N 2 0 226.364 1.677 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@@H]1CC[NH2+]C1(C)C ZINC000925485174 646296571 /nfs/dbraw/zinc/29/65/71/646296571.db2.gz BPDKHKAMSPBURT-NWDGAFQWSA-N 2 0 227.396 1.447 20 0 BDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCCn1ccnc1 ZINC000925496115 646302380 /nfs/dbraw/zinc/30/23/80/646302380.db2.gz XTKSRPLBNDMEDG-NSHDSACASA-N 2 0 222.336 1.003 20 0 BDADRP C[NH+](C)CCCN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925505489 646306751 /nfs/dbraw/zinc/30/67/51/646306751.db2.gz UKGYAPDDLCZKPU-GFCCVEGCSA-N 2 0 225.380 1.202 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccccc2CO)C12CCC2 ZINC000925507828 646307486 /nfs/dbraw/zinc/30/74/86/646307486.db2.gz NPFVQPPRXVGZAG-KBPBESRZSA-N 2 0 246.354 1.538 20 0 BDADRP C[C@H](CC[NH+](C)C)N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925522451 646316077 /nfs/dbraw/zinc/31/60/77/646316077.db2.gz RRRAKUVVIINCDK-JHJVBQTASA-N 2 0 241.423 1.822 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925538399 646321732 /nfs/dbraw/zinc/32/17/32/646321732.db2.gz AUWHOCLKENWTLY-FRRDWIJNSA-N 2 0 242.407 1.891 20 0 BDADRP CC[C@H](CCO)C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925538401 646321868 /nfs/dbraw/zinc/32/18/68/646321868.db2.gz AUWHOCLKENWTLY-JHJVBQTASA-N 2 0 242.407 1.891 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925540573 646321922 /nfs/dbraw/zinc/32/19/22/646321922.db2.gz CWDAZSMWCGJDMS-YNEHKIRRSA-N 2 0 239.407 1.589 20 0 BDADRP Cn1nccc1C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925538923 646322543 /nfs/dbraw/zinc/32/25/43/646322543.db2.gz WRSZOTSXKDUNLX-MNOVXSKESA-N 2 0 236.363 1.416 20 0 BDADRP CC[N@H+](CCN[C@H]1CCC[NH2+][C@H]1C)C(C)C ZINC000925556479 646331313 /nfs/dbraw/zinc/33/13/13/646331313.db2.gz JNQDMHHEOOIOPJ-STQMWFEESA-N 2 0 227.396 1.447 20 0 BDADRP CC[N@H+](CCN[C@@H]1CC[NH2+]C12CCC2)C(C)C ZINC000925556830 646333826 /nfs/dbraw/zinc/33/38/26/646333826.db2.gz LMABPMRJVYFRRR-CYBMUJFWSA-N 2 0 239.407 1.591 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925563231 646335242 /nfs/dbraw/zinc/33/52/42/646335242.db2.gz BHGURRQVCOASRR-FRRDWIJNSA-N 2 0 239.407 1.576 20 0 BDADRP COCCOCC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925565574 646337082 /nfs/dbraw/zinc/33/70/82/646337082.db2.gz UQQFSEZBQVEKOS-NWDGAFQWSA-N 2 0 244.379 1.145 20 0 BDADRP CC1(C)[C@@H]([NH2+][C@H]2CCSC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925571181 646340344 /nfs/dbraw/zinc/34/03/44/646340344.db2.gz AWQLEAYDWYQBCS-USZNOCQGSA-N 2 0 240.416 1.858 20 0 BDADRP CC[N@@H+]1CCCC[C@@H]1CN[C@H]1CCC[NH2+][C@@H]1C ZINC000925573489 646342550 /nfs/dbraw/zinc/34/25/50/646342550.db2.gz OAQOMDMSKPFQCX-MCIONIFRSA-N 2 0 239.407 1.591 20 0 BDADRP COC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)C1CC1 ZINC000925587064 646347780 /nfs/dbraw/zinc/34/77/80/646347780.db2.gz MQVIZVYNXOGCCO-UPJWGTAASA-N 2 0 240.391 1.907 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CC1(C2CC2)CC1 ZINC000925589108 646348614 /nfs/dbraw/zinc/34/86/14/646348614.db2.gz DRUKKLBGSCMUOV-LLVKDONJSA-N 2 0 208.349 1.907 20 0 BDADRP CC1(C)[C@H]([NH2+]C2CCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925595111 646351843 /nfs/dbraw/zinc/35/18/43/646351843.db2.gz MYTIELKHGSAOQD-GRYCIOLGSA-N 2 0 208.349 1.905 20 0 BDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CC[C@H](O)CC1 ZINC000925615164 646362742 /nfs/dbraw/zinc/36/27/42/646362742.db2.gz MXZCJRKVCXJZIW-NUHWUEHESA-N 2 0 238.375 1.220 20 0 BDADRP COCCC1(C[NH2+][C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925614122 646363480 /nfs/dbraw/zinc/36/34/80/646363480.db2.gz AOKUGBIAOHSGQA-LLVKDONJSA-N 2 0 226.364 1.533 20 0 BDADRP CC(C)[C@H](O)C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925618704 646366103 /nfs/dbraw/zinc/36/61/03/646366103.db2.gz JJSQHEHZEZCRHH-IJLUTSLNSA-N 2 0 228.380 1.499 20 0 BDADRP C[C@H]1CCC[N@@H+]1CCN[C@H]1CC[NH2+]C1(C)C ZINC000925621836 646366591 /nfs/dbraw/zinc/36/65/91/646366591.db2.gz GZAVALVXRJSMKU-RYUDHWBXSA-N 2 0 225.380 1.201 20 0 BDADRP CC(C)[C@@H](O)C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925621234 646368361 /nfs/dbraw/zinc/36/83/61/646368361.db2.gz ZTTSVANMJRFUJT-MROQNXINSA-N 2 0 240.391 1.370 20 0 BDADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCn2cccn2)C1 ZINC000925624329 646369594 /nfs/dbraw/zinc/36/95/94/646369594.db2.gz ZNZNFZRQYOUPJM-RYUDHWBXSA-N 2 0 236.363 1.379 20 0 BDADRP CC(C)[C@@H](CO)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925621841 646369841 /nfs/dbraw/zinc/36/98/41/646369841.db2.gz GZJUMIQQYIRCDE-SDDRHHMPSA-N 2 0 228.380 1.499 20 0 BDADRP C[C@H]1CCC[N@@H+]1CCN[C@H]1CC[NH2+]C12CCC2 ZINC000925624665 646370463 /nfs/dbraw/zinc/37/04/63/646370463.db2.gz ZLGKSUOYSKKTSW-STQMWFEESA-N 2 0 237.391 1.345 20 0 BDADRP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1cn[nH]c1 ZINC000925625449 646372261 /nfs/dbraw/zinc/37/22/61/646372261.db2.gz HVHDNVNVYTWTHL-WCQGTBRESA-N 2 0 236.363 1.966 20 0 BDADRP COCCC(C)(C)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925638822 646382455 /nfs/dbraw/zinc/38/24/55/646382455.db2.gz GODGHJNSXUPSCD-GFCCVEGCSA-N 2 0 240.391 1.923 20 0 BDADRP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CC[NH2+]C2(C)C)CCO1 ZINC000925638256 646383186 /nfs/dbraw/zinc/38/31/86/646383186.db2.gz ZNNXYKSKXISDPI-AGIUHOORSA-N 2 0 240.391 1.922 20 0 BDADRP CC[C@@H](CO)[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925643670 646385050 /nfs/dbraw/zinc/38/50/50/646385050.db2.gz GYVZRAMNGYGLDT-MELADBBJSA-N 2 0 240.391 1.515 20 0 BDADRP CC[C@@H](CO)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925644044 646385554 /nfs/dbraw/zinc/38/55/54/646385554.db2.gz HXFVUSDZGJTDLS-KBPBESRZSA-N 2 0 236.359 1.827 20 0 BDADRP CC(C)OCC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925647281 646387439 /nfs/dbraw/zinc/38/74/39/646387439.db2.gz BJEWNSCEBQNJQL-NWDGAFQWSA-N 2 0 228.380 1.907 20 0 BDADRP CO[C@H](C)[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925646840 646388011 /nfs/dbraw/zinc/38/80/11/646388011.db2.gz XJUFBGFNSQCPIC-USZNOCQGSA-N 2 0 228.380 1.905 20 0 BDADRP OCCCCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925651883 646391010 /nfs/dbraw/zinc/39/10/10/646391010.db2.gz BOHKNIDKGJKROW-LBPRGKRZSA-N 2 0 226.364 1.413 20 0 BDADRP CC1(C)[C@@H]([NH2+]CCCCCO)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925655884 646395276 /nfs/dbraw/zinc/39/52/76/646395276.db2.gz XJLOKTDKRBSVBB-AVGNSLFASA-N 2 0 240.391 1.515 20 0 BDADRP CCSCCC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925662212 646396484 /nfs/dbraw/zinc/39/64/84/646396484.db2.gz GXMSYPAVSYRTTN-SNVBAGLBSA-N 2 0 216.394 1.860 20 0 BDADRP COCC(C)(C)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925671918 646403314 /nfs/dbraw/zinc/40/33/14/646403314.db2.gz FPQFAAUWYXTTOD-LBPRGKRZSA-N 2 0 240.391 1.923 20 0 BDADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2CC[NH2+]C2(C)C)C1 ZINC000925685462 646413059 /nfs/dbraw/zinc/41/30/59/646413059.db2.gz ITSOARPVCDSJKX-STQMWFEESA-N 3 0 239.407 1.448 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1NCC[N@@H+]1CCCC1(C)C ZINC000925686698 646413296 /nfs/dbraw/zinc/41/32/96/646413296.db2.gz XRKQTUCGAPEUCV-QWHCGFSZSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@H]([NH3+])[C@@H](NC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000925690188 646416619 /nfs/dbraw/zinc/41/66/19/646416619.db2.gz GDIFWBFXCZVNSZ-GZBFAFLISA-N 2 0 247.386 1.664 20 0 BDADRP CC1(C)[C@@H](NC[C@H]2CCC[NH2+]2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925689483 646416918 /nfs/dbraw/zinc/41/69/18/646416918.db2.gz AMWHSKUYRQZVTO-NDBYEHHHSA-N 2 0 237.391 1.105 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@@H]([NH3+])c1ccccc1 ZINC000925691074 646417260 /nfs/dbraw/zinc/41/72/60/646417260.db2.gz IHSZMEFDOLPTTG-YUTCNCBUSA-N 2 0 233.359 1.417 20 0 BDADRP CC(C)[C@H]([NH3+])CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925691612 646417970 /nfs/dbraw/zinc/41/79/70/646417970.db2.gz IWZLNNQERVPYAF-FVCCEPFGSA-N 2 0 239.407 1.336 20 0 BDADRP [NH3+][C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C12CCC2 ZINC000925695066 646419896 /nfs/dbraw/zinc/41/98/96/646419896.db2.gz VZCRDRRIELRMLO-GJHMDTBVSA-N 2 0 235.375 1.129 20 0 BDADRP CC(C)([NH3+])CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925696867 646422145 /nfs/dbraw/zinc/42/21/45/646422145.db2.gz BPUMVEYMPNZUIJ-VWYCJHECSA-N 2 0 225.380 1.090 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925699454 646422911 /nfs/dbraw/zinc/42/29/11/646422911.db2.gz OWKUWBOUSHGKFU-VPCRRHSYSA-N 2 0 237.391 1.090 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1NCc1ccc2c(c1)C[NH2+]C2 ZINC000925700302 646423015 /nfs/dbraw/zinc/42/30/15/646423015.db2.gz PCAQSCATDMTLED-CQSZACIVSA-N 2 0 245.370 1.520 20 0 BDADRP CCCC[C@H](C[NH3+])N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925699452 646423510 /nfs/dbraw/zinc/42/35/10/646423510.db2.gz OWKUWBOUSHGKFU-GMDXDWKASA-N 2 0 237.391 1.090 20 0 BDADRP C[C@H]([NH3+])[C@@H](N[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000925700433 646424636 /nfs/dbraw/zinc/42/46/36/646424636.db2.gz PMDBFEZEFAGNLF-NWANDNLSSA-N 2 0 247.386 1.807 20 0 BDADRP C1CCC2(C1)[NH2+]CC[C@H]2N[C@@H]1CCC[NH2+]CC1 ZINC000925700715 646425219 /nfs/dbraw/zinc/42/52/19/646425219.db2.gz RSWCFEICLFGPOX-CHWSQXEVSA-N 2 0 237.391 1.393 20 0 BDADRP C[C@H](COCC1CC1)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925703344 646427415 /nfs/dbraw/zinc/42/74/15/646427415.db2.gz TWKQQWLZSNJJOB-RAIGVLPGSA-N 2 0 238.375 1.661 20 0 BDADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000925703081 646427990 /nfs/dbraw/zinc/42/79/90/646427990.db2.gz BWWAUGHWMZCORG-QNWHQSFQSA-N 2 0 226.364 1.519 20 0 BDADRP C[C@H]1NCCC[C@@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000925703966 646428814 /nfs/dbraw/zinc/42/88/14/646428814.db2.gz FOANOWYRGDELJM-YPMHNXCESA-N 3 0 223.364 1.026 20 0 BDADRP C[C@@H]1NCCC[C@@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000925703958 646429446 /nfs/dbraw/zinc/42/94/46/646429446.db2.gz FOANOWYRGDELJM-AAEUAGOBSA-N 3 0 223.364 1.026 20 0 BDADRP CC1(C)C[C@@H](N[C@H]2CCCC[NH2+]C2)C[C@@H]([NH3+])C1 ZINC000925710093 646433919 /nfs/dbraw/zinc/43/39/19/646433919.db2.gz WEUDWODCWABLBN-AGIUHOORSA-N 2 0 239.407 1.624 20 0 BDADRP CC(C)(F)C[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2 ZINC000925724780 646449220 /nfs/dbraw/zinc/44/92/20/646449220.db2.gz MVDGECOHTKBRIF-BIBSGERRSA-N 2 0 230.327 1.076 20 0 BDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@@H]1CC[NH2+]C13CCC3)[NH2+]2 ZINC000925724457 646450768 /nfs/dbraw/zinc/45/07/68/646450768.db2.gz YFLHLQRXXYUSCP-XVIXHAIJSA-N 2 0 249.402 1.390 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925726491 646452372 /nfs/dbraw/zinc/45/23/72/646452372.db2.gz IVSLMSVUIMXKMZ-YVECIDJPSA-N 3 0 237.391 1.247 20 0 BDADRP CC1(C)[C@H]([NH2+]CC2CC([NH3+])C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925730111 646453576 /nfs/dbraw/zinc/45/35/76/646453576.db2.gz NEXJEFOPYPHRQE-UDSBESMDSA-N 3 0 237.391 1.090 20 0 BDADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CCC[C@H]1CCOC1=O ZINC000925728689 646454090 /nfs/dbraw/zinc/45/40/90/646454090.db2.gz GMHXZKJQCLMDOI-WDEREUQCSA-N 2 0 240.347 1.060 20 0 BDADRP C[C@@H](N)[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccccc1 ZINC000925729237 646454938 /nfs/dbraw/zinc/45/49/38/646454938.db2.gz ZHEBSTXFQFSEGY-RFHZTLPTSA-N 2 0 233.359 1.402 20 0 BDADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)C1CC[NH2+]CC1 ZINC000925731236 646455683 /nfs/dbraw/zinc/45/56/83/646455683.db2.gz ZLAWEUZHOQCNOO-WCQYABFASA-N 3 0 237.391 1.249 20 0 BDADRP COCC1CCC([NH2+]CCC(C)(C)[NH3+])CC1 ZINC000925738054 646460059 /nfs/dbraw/zinc/46/00/59/646460059.db2.gz MITNFQXHWGRJIF-UHFFFAOYSA-N 2 0 228.380 1.909 20 0 BDADRP Cc1n[nH]cc1[C@H](C)[NH2+]CCC(C)(C)[NH3+] ZINC000925739759 646462588 /nfs/dbraw/zinc/46/25/88/646462588.db2.gz FEYASAAAMYCQBU-QMMMGPOBSA-N 2 0 210.325 1.496 20 0 BDADRP CCC1([NH3+])CCN([C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925758571 646466194 /nfs/dbraw/zinc/46/61/94/646466194.db2.gz DGYGGNRVWAVVPZ-GFCCVEGCSA-N 2 0 237.391 1.474 20 0 BDADRP CCC1([NH3+])CCN([C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000925761803 646466246 /nfs/dbraw/zinc/46/62/46/646466246.db2.gz ZITBFEKQLRUANH-QWRGUYRKSA-N 2 0 213.369 1.316 20 0 BDADRP C[C@H](CCCC[NH3+])[NH2+]C1(c2ncccn2)CCC1 ZINC000925762841 646466339 /nfs/dbraw/zinc/46/63/39/646466339.db2.gz PDNZKJYEWPRJSA-GFCCVEGCSA-N 2 0 248.374 1.963 20 0 BDADRP CCC1([NH3+])CC[NH+]([C@H](C)Cc2cnccn2)CC1 ZINC000925761259 646467025 /nfs/dbraw/zinc/46/70/25/646467025.db2.gz XTTKUNSQIXHYOO-GFCCVEGCSA-N 2 0 248.374 1.611 20 0 BDADRP CCC1([NH3+])CCN([C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000925760165 646467139 /nfs/dbraw/zinc/46/71/39/646467139.db2.gz LBEFYQAYLUGXFB-NEPJUHHUSA-N 2 0 225.380 1.188 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CC2(CCC2)CO1)C1C[NH2+]C1 ZINC000925772732 646472936 /nfs/dbraw/zinc/47/29/36/646472936.db2.gz JOTHSMFAQAFQSI-CMPLNLGQSA-N 2 0 224.348 1.143 20 0 BDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC2(CCC2)CO1 ZINC000925776054 646474688 /nfs/dbraw/zinc/47/46/88/646474688.db2.gz VAHSFNHCXCNDMO-YNEHKIRRSA-N 2 0 238.375 1.805 20 0 BDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)[C@@H](C)O1 ZINC000925775249 646475014 /nfs/dbraw/zinc/47/50/14/646475014.db2.gz DVOARNWFXYSUAQ-ZNSHCXBVSA-N 2 0 248.317 1.387 20 0 BDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC[C@@H]1CC(C)(C)CO1 ZINC000925775716 646475811 /nfs/dbraw/zinc/47/58/11/646475811.db2.gz RMTHSKKWLKTYBY-QJPTWQEYSA-N 2 0 228.380 1.907 20 0 BDADRP C[C@@H]([NH2+]CC[C@H]1CCCO1)[C@@H]1CCC[NH2+]C1 ZINC000925776026 646476106 /nfs/dbraw/zinc/47/61/06/646476106.db2.gz USYGYBLMEVSLLE-JHJVBQTASA-N 2 0 226.364 1.533 20 0 BDADRP C[C@H]([NH3+])[C@H](N[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1 ZINC000925781242 646477889 /nfs/dbraw/zinc/47/78/89/646477889.db2.gz WBDVGLGPQSZRNC-WVWOOGAGSA-N 2 0 233.359 1.272 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925783504 646479284 /nfs/dbraw/zinc/47/92/84/646479284.db2.gz CXWPHBIWQJXSCT-MROQNXINSA-N 3 0 239.407 1.338 20 0 BDADRP C[C@H]([NH3+])[C@H](NC[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1 ZINC000925783041 646479592 /nfs/dbraw/zinc/47/95/92/646479592.db2.gz BQTSDBNSIDVXQF-DHMWGJHJSA-N 2 0 247.386 1.520 20 0 BDADRP CC[C@@H](N[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000925786726 646482792 /nfs/dbraw/zinc/48/27/92/646482792.db2.gz VLYIECLOUURAAX-FVCCEPFGSA-N 2 0 225.380 1.105 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000925787816 646482838 /nfs/dbraw/zinc/48/28/38/646482838.db2.gz VCNRFMDNKDBWLA-PKIAMQTDSA-N 2 0 245.370 1.576 20 0 BDADRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000925798363 646486523 /nfs/dbraw/zinc/48/65/23/646486523.db2.gz WHQUBJLHBFAPHB-AAVRWANBSA-N 2 0 239.407 1.352 20 0 BDADRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccnn1C ZINC000925802044 646487291 /nfs/dbraw/zinc/48/72/91/646487291.db2.gz CWYRDSNYRJRDNF-GRYCIOLGSA-N 2 0 236.363 1.316 20 0 BDADRP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccco1 ZINC000925808952 646490778 /nfs/dbraw/zinc/49/07/78/646490778.db2.gz FIWFNTXXTMNNFC-NSHDSACASA-N 2 0 237.347 1.353 20 0 BDADRP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925823843 646496423 /nfs/dbraw/zinc/49/64/23/646496423.db2.gz PPNJMPBDBPKJBI-OJEZURLMSA-N 2 0 220.360 1.890 20 0 BDADRP [NH3+][C@@H]1CCC[C@@H](NC[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC000925837864 646505315 /nfs/dbraw/zinc/50/53/15/646505315.db2.gz INQYGXPVAWFFPJ-AAVRWANBSA-N 2 0 237.391 1.378 20 0 BDADRP C[C@@H]1C[N@H+](C)C[C@H]1NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925841130 646506644 /nfs/dbraw/zinc/50/66/44/646506644.db2.gz FIRDCNXLOSCPLB-AAVRWANBSA-N 2 0 237.391 1.058 20 0 BDADRP OC1CCC([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000925841815 646508610 /nfs/dbraw/zinc/50/86/10/646508610.db2.gz TVZIRBHBOFOPDR-NWINJMCUSA-N 2 0 238.375 1.412 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCS[C@H](C)C1 ZINC000925855467 646511509 /nfs/dbraw/zinc/51/15/09/646511509.db2.gz CMYGGRUWKMQEOK-WOPDTQHZSA-N 2 0 246.420 1.614 20 0 BDADRP CCC[C@H](O)CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000925860112 646513640 /nfs/dbraw/zinc/51/36/40/646513640.db2.gz VEHHFVHRWXJGQF-SYQHCUMBSA-N 2 0 240.391 1.515 20 0 BDADRP COC[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)C(C)C ZINC000925872922 646524683 /nfs/dbraw/zinc/52/46/83/646524683.db2.gz BINPSTASYMSZBH-RWMBFGLXSA-N 2 0 228.380 1.765 20 0 BDADRP COC[C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])C(C)C ZINC000925874743 646525960 /nfs/dbraw/zinc/52/59/60/646525960.db2.gz VLUKPIXRXSXGEG-TUAOUCFPSA-N 2 0 216.369 1.620 20 0 BDADRP CCOCCOCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000925875630 646526563 /nfs/dbraw/zinc/52/65/63/646526563.db2.gz VNHOYERGVGQCKE-CHWSQXEVSA-N 2 0 244.379 1.147 20 0 BDADRP CC[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cnn(C)c1 ZINC000925875647 646526569 /nfs/dbraw/zinc/52/65/69/646526569.db2.gz KNXKZGRLMYPHMV-KGYLQXTDSA-N 2 0 236.363 1.588 20 0 BDADRP CC1(C)[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)[C@@H]2CCO[C@H]21 ZINC000925876454 646528095 /nfs/dbraw/zinc/52/80/95/646528095.db2.gz YMICIVKYWWBVEJ-KSSYENDESA-N 2 0 238.375 1.517 20 0 BDADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCC[NH2+]C1 ZINC000925879348 646528889 /nfs/dbraw/zinc/52/88/89/646528889.db2.gz BUNRQMRJRSLYNZ-NDBYEHHHSA-N 3 0 225.380 1.092 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CCC23CCOCC3)C1 ZINC000925879561 646529065 /nfs/dbraw/zinc/52/90/65/646529065.db2.gz HYOBIZHXZSZJLN-YNEHKIRRSA-N 2 0 238.375 1.663 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000925879459 646529395 /nfs/dbraw/zinc/52/93/95/646529395.db2.gz FEIGGCXNDIKSTG-QNWHQSFQSA-N 3 0 225.380 1.363 20 0 BDADRP C[C@H]1COC[C@@H]1[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000926169475 646587416 /nfs/dbraw/zinc/58/74/16/646587416.db2.gz FMGSGNZWHCCWOD-STQMWFEESA-N 2 0 240.391 1.733 20 0 BDADRP C[C@@H]1COC[C@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000926488002 646659027 /nfs/dbraw/zinc/65/90/27/646659027.db2.gz QZPUOHIRFAKGIS-ZIAGYGMSSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@@H]1C[C@@H](C)[N@H+](CCCCCCO)C[C@H]1C[NH3+] ZINC000397302718 711705310 /nfs/dbraw/zinc/70/53/10/711705310.db2.gz LDRXSKAWULCUKC-MGPQQGTHSA-N 2 0 242.407 1.844 20 0 BDADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCCCCCO ZINC000236252651 711761675 /nfs/dbraw/zinc/76/16/75/711761675.db2.gz DAZRJFCBOJAKLA-CYBMUJFWSA-N 2 0 228.380 1.742 20 0 BDADRP COC1CC(C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)C1 ZINC000703155146 712066566 /nfs/dbraw/zinc/06/65/66/712066566.db2.gz BCGNAHINEUNTIT-LXKPXOPUSA-N 2 0 212.337 1.127 20 0 BDADRP CC[N@@H+]1CC[C@@H](C[NH2+]C2CC(SC)C2)C1 ZINC000706895334 712159720 /nfs/dbraw/zinc/15/97/20/712159720.db2.gz BTEQUBHOUSJMAG-UNXYVOJBSA-N 2 0 228.405 1.812 20 0 BDADRP CC1(C)CO[C@@H](C[NH+]2CCC(CC[NH3+])CC2)C1 ZINC000708332125 712187937 /nfs/dbraw/zinc/18/79/37/712187937.db2.gz PHOSHOSCMUHIFW-CYBMUJFWSA-N 2 0 240.391 1.862 20 0 BDADRP C[NH2+]CCCN(C)C[C@H]1CC(C)(C)CO1 ZINC000708341828 712189500 /nfs/dbraw/zinc/18/95/00/712189500.db2.gz WAGFTVKNUVNERR-LLVKDONJSA-N 2 0 214.353 1.343 20 0 BDADRP CO[C@H]1COCC[C@@H]1[N@H+](C)CCCCCC[NH3+] ZINC000710724468 712255741 /nfs/dbraw/zinc/25/57/41/712255741.db2.gz MHAGBLGRBWGSOY-STQMWFEESA-N 2 0 244.379 1.241 20 0 BDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@@H]2CCC(C)(C)CO2)C1 ZINC000713584352 712466243 /nfs/dbraw/zinc/46/62/43/712466243.db2.gz DQEYHUSJULYXJT-AVGNSLFASA-N 2 0 240.391 1.861 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000714622840 712488781 /nfs/dbraw/zinc/48/87/81/712488781.db2.gz BULVSWBRPDLIMS-DDHJBXDOSA-N 2 0 212.337 1.128 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)CO1 ZINC000715554627 712528287 /nfs/dbraw/zinc/52/82/87/712528287.db2.gz WTKDAKNQHCFVLM-FVCCEPFGSA-N 2 0 226.364 1.626 20 0 BDADRP CC[C@@H](C[C@H](C)O)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000716854748 712578746 /nfs/dbraw/zinc/57/87/46/712578746.db2.gz UHPPNINDEMFVHI-STQMWFEESA-N 2 0 242.407 1.998 20 0 BDADRP C([NH2+][C@@H]1CCSC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037485334 712650876 /nfs/dbraw/zinc/65/08/76/712650876.db2.gz MSGUKHMEJOKCJG-WDEREUQCSA-N 2 0 226.389 1.566 20 0 BDADRP COC[C@@H](CCC[NH3+])[NH2+]C1CCC=CCC1 ZINC000718094307 712742441 /nfs/dbraw/zinc/74/24/41/712742441.db2.gz UADHKTLBCUVRJK-CYBMUJFWSA-N 2 0 226.364 1.829 20 0 BDADRP C[C@@H]1CC[N@H+](C[C@@]2(C)CCC[NH2+]C2)CCO1 ZINC000719780186 712824741 /nfs/dbraw/zinc/82/47/41/712824741.db2.gz UUPLATLBOLOFDM-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP C[NH2+]CC1CC[NH+](CCc2ccns2)CC1 ZINC000719846364 712826321 /nfs/dbraw/zinc/82/63/21/712826321.db2.gz OXQKHBYVNWHFAP-UHFFFAOYSA-N 2 0 239.388 1.617 20 0 BDADRP CC[C@@H](C)[N@H+](CC)C[C@H](O)CN1CCCC1 ZINC000381270055 710614766 /nfs/dbraw/zinc/61/47/66/710614766.db2.gz VGTHEOFTZROOPF-CHWSQXEVSA-N 2 0 228.380 1.564 20 0 BDADRP CCC[NH+]1CCC([NH2+][C@H](CO)C2CC2)CC1 ZINC000381321213 710621800 /nfs/dbraw/zinc/62/18/00/710621800.db2.gz OUYXPXBINZAMQW-CYBMUJFWSA-N 2 0 226.364 1.221 20 0 BDADRP CC[NH+]1CCC([NH2+]C[C@H](COC)C(C)C)CC1 ZINC000721881430 710689966 /nfs/dbraw/zinc/68/99/66/710689966.db2.gz VAPYVXHOTXQZKR-CYBMUJFWSA-N 2 0 242.407 1.979 20 0 BDADRP COC[C@H](C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C)C(C)C ZINC000721915825 710690136 /nfs/dbraw/zinc/69/01/36/710690136.db2.gz VUGPUCOZTGRKBL-FRRDWIJNSA-N 2 0 228.380 1.717 20 0 BDADRP C1[NH2+][C@H]2[C@H]([NH2+][C@@H]3CCCSC3)[C@H]3C[C@@H]1[C@@H]2C3 ZINC000382044637 710768581 /nfs/dbraw/zinc/76/85/81/710768581.db2.gz KBFYIMRSCXZWAV-ASHHDVGLSA-N 2 0 238.400 1.468 20 0 BDADRP C[C@H]([NH2+]Cc1cncn1C)C1CC[NH+](C)CC1 ZINC000384374452 710894833 /nfs/dbraw/zinc/89/48/33/710894833.db2.gz JLWZPIZXJLOYSU-NSHDSACASA-N 2 0 236.363 1.240 20 0 BDADRP COCc1ccc(CN2CCC[C@H](C[NH3+])C2)o1 ZINC000382719888 710975222 /nfs/dbraw/zinc/97/52/22/710975222.db2.gz HKVIATSRHUXKGF-LLVKDONJSA-N 2 0 238.331 1.597 20 0 BDADRP C[C@@H]([NH2+]CCC(C)(C)[NH3+])[C@@H]1CCCO1 ZINC000389254835 711074622 /nfs/dbraw/zinc/07/46/22/711074622.db2.gz DNUDUEVUHQPPDX-ZJUUUORDSA-N 2 0 200.326 1.271 20 0 BDADRP CCN(C[C@@H]([NH3+])CC(F)F)C[C@@H]1CCCO1 ZINC000390254016 711110375 /nfs/dbraw/zinc/11/03/75/711110375.db2.gz VLOMTAYHBVVWRC-UWVGGRQHSA-N 2 0 236.306 1.470 20 0 BDADRP [NH3+][C@@H](CC(F)F)CN1CC[NH+](C2CCC2)CC1 ZINC000393969817 711180359 /nfs/dbraw/zinc/18/03/59/711180359.db2.gz LAFXZDCCVLCWFB-JTQLQIEISA-N 2 0 247.333 1.139 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CCO1 ZINC000393953688 711180792 /nfs/dbraw/zinc/18/07/92/711180792.db2.gz BUPFXGKHGMNGMI-BWALOOPLSA-N 2 0 236.359 1.140 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CCO1 ZINC000393953693 711180921 /nfs/dbraw/zinc/18/09/21/711180921.db2.gz BUPFXGKHGMNGMI-ZIIDRAPCSA-N 2 0 236.359 1.140 20 0 BDADRP C[C@@H](CC(C)(C)O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000395034572 711201414 /nfs/dbraw/zinc/20/14/14/711201414.db2.gz QYGKEFOQBPBOKV-WODVXLOZSA-N 2 0 240.391 1.751 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1CCCC[C@@H]1CCO ZINC000395405898 711210343 /nfs/dbraw/zinc/21/03/43/711210343.db2.gz VNXYDNBKFCAAKD-CYBMUJFWSA-N 2 0 228.380 1.742 20 0 BDADRP CC[N@H+](CCN[C@@H]1CCC[NH2+][C@H]1C)C1CC1 ZINC000396581835 711356456 /nfs/dbraw/zinc/35/64/56/711356456.db2.gz FQTWMVDNJJIFJR-WCQYABFASA-N 2 0 225.380 1.201 20 0 BDADRP C[C@H]1[NH2+]CCC[C@H]1NCC1([NH+](C)C)CCCC1 ZINC000396585974 711357390 /nfs/dbraw/zinc/35/73/90/711357390.db2.gz HQQQTOMYYBEOLN-CHWSQXEVSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@H]1NCCC[C@H]1[NH2+]CCCC[NH+](C)C ZINC000396602702 711358724 /nfs/dbraw/zinc/35/87/24/711358724.db2.gz BJGRAVNUFKNLLE-VXGBXAGGSA-N 2 0 213.369 1.058 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@@H]1NCC[N@H+](C)C1CCCC1 ZINC000396595153 711359342 /nfs/dbraw/zinc/35/93/42/711359342.db2.gz LGNBXGOBDQHDTD-JSGCOSHPSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@H]1[NH2+]CCC[C@H]1NCC[N@H+](C)C1CCCC1 ZINC000396595159 711359605 /nfs/dbraw/zinc/35/96/05/711359605.db2.gz LGNBXGOBDQHDTD-TZMCWYRMSA-N 2 0 239.407 1.591 20 0 BDADRP C[C@@H](CCCCO)[NH2+]CCC(C)(C)[NH3+] ZINC000398544423 711411870 /nfs/dbraw/zinc/41/18/70/711411870.db2.gz XFBJIKDTTKRUNB-JTQLQIEISA-N 2 0 202.342 1.255 20 0 BDADRP C[C@H](CCCCO)[NH2+]CCC(C)(C)[NH3+] ZINC000398544424 711412452 /nfs/dbraw/zinc/41/24/52/711412452.db2.gz XFBJIKDTTKRUNB-SNVBAGLBSA-N 2 0 202.342 1.255 20 0 BDADRP C[C@@H]1COCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000399249407 711426093 /nfs/dbraw/zinc/42/60/93/711426093.db2.gz FDRLPQMYROVELQ-STQMWFEESA-N 2 0 226.364 1.344 20 0 BDADRP C(C[NH+]1CCCCC1)N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000385547810 711014071 /nfs/dbraw/zinc/01/40/71/711014071.db2.gz WFDAYFSEVOIWDX-XPABHHOTSA-N 2 0 249.402 1.058 20 0 BDADRP CC[NH+](CC)C[C@H](C)N[C@@H]1CCC[NH2+][C@H]1C ZINC000396666205 711363059 /nfs/dbraw/zinc/36/30/59/711363059.db2.gz OYXLWKCQDKMCPZ-RWMBFGLXSA-N 2 0 227.396 1.447 20 0 BDADRP CCCCOCCN[C@H]1CCC[NH2+][C@H]1C ZINC000396691215 711364373 /nfs/dbraw/zinc/36/43/73/711364373.db2.gz KZTWEFCGSLMVJV-RYUDHWBXSA-N 2 0 214.353 1.533 20 0 BDADRP C[C@@H]1[NH2+]CCC[C@H]1NCC1([NH+](C)C)CCC1 ZINC000396724428 711366363 /nfs/dbraw/zinc/36/63/63/711366363.db2.gz VHCTUYCBXWMNRB-NWDGAFQWSA-N 2 0 225.380 1.201 20 0 BDADRP C[N@H+](C[C@@H](O)C[NH3+])C[C@@H]1CC2CCC1CC2 ZINC000399890466 711436640 /nfs/dbraw/zinc/43/66/40/711436640.db2.gz JBIZPRHXYXEUJG-TYUFSLCMSA-N 2 0 226.364 1.064 20 0 BDADRP C[C@H]1OCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H]1C ZINC000717929232 711492706 /nfs/dbraw/zinc/49/27/06/711492706.db2.gz GWLLUBLTZDSTMF-KKOKHZNYSA-N 2 0 212.337 1.223 20 0 BDADRP CSC[C@H]1CCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000717961367 711492872 /nfs/dbraw/zinc/49/28/72/711492872.db2.gz LQZNSUPMUFEPTP-GRYCIOLGSA-N 2 0 228.405 1.941 20 0 BDADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000723627474 711527593 /nfs/dbraw/zinc/52/75/93/711527593.db2.gz DDAMORYRZBKPML-YVECIDJPSA-N 2 0 226.364 1.376 20 0 BDADRP COCc1ccc(C[N@@H+]2CC[C@H](CC[NH3+])C2)o1 ZINC000723678362 711533851 /nfs/dbraw/zinc/53/38/51/711533851.db2.gz KFHPTQWGFFRGNQ-NSHDSACASA-N 2 0 238.331 1.597 20 0 BDADRP Cc1conc1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723701417 711534547 /nfs/dbraw/zinc/53/45/47/711534547.db2.gz CCMUUVIAFJUORU-JTQLQIEISA-N 2 0 209.293 1.154 20 0 BDADRP CC(C)c1cnc(C[N@@H+]2CC[C@H](CC[NH3+])C2)o1 ZINC000723709465 711535321 /nfs/dbraw/zinc/53/53/21/711535321.db2.gz PFZOTBNSJBTUDY-NSHDSACASA-N 2 0 237.347 1.969 20 0 BDADRP C[N@H+](C[C@@]1(C)CCC[NH2+]C1)[C@@H]1CCOC1 ZINC000134713295 711543837 /nfs/dbraw/zinc/54/38/37/711543837.db2.gz UTCSNLJOYZSOLR-NEPJUHHUSA-N 2 0 212.337 1.097 20 0 BDADRP Cc1ccc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cn1 ZINC000723901046 711544224 /nfs/dbraw/zinc/54/42/24/711544224.db2.gz MLHGLFPPOZNXSC-BXUZGUMPSA-N 2 0 233.359 1.807 20 0 BDADRP CC[C@H]([NH2+][C@H](C)C1C[NH2+]C1)[C@H]1CCCOC1 ZINC000724013345 711556027 /nfs/dbraw/zinc/55/60/27/711556027.db2.gz QETODOALOSGDEU-MDZLAQPJSA-N 2 0 226.364 1.389 20 0 BDADRP c1cc(CCN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)cs1 ZINC000383369815 711644956 /nfs/dbraw/zinc/64/49/56/711644956.db2.gz YIFAIUMBVQUVOH-MEBFFEOJSA-N 2 0 248.395 1.877 20 0 BDADRP CC[NH+]1CCC(N[C@@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000719626570 711672901 /nfs/dbraw/zinc/67/29/01/711672901.db2.gz SYJBJGCSCNDBAG-WCQYABFASA-N 2 0 225.380 1.153 20 0 BDADRP C[C@@H]1CC[C@@H](C[NH2+]C[C@@]2(C)CCC[NH2+]C2)O1 ZINC000398133828 711708882 /nfs/dbraw/zinc/70/88/82/711708882.db2.gz WSHGMDFUJKYXQB-AGIUHOORSA-N 2 0 226.364 1.533 20 0 BDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1C=CCC1 ZINC000925712101 711711789 /nfs/dbraw/zinc/71/17/89/711711789.db2.gz OVUZJDXFNMNPQB-SZQBSXBZSA-N 2 0 206.333 1.811 20 0 BDADRP [NH3+]C[C@H]1C[N@H+](CCc2cccs2)CCCO1 ZINC000313374216 711721004 /nfs/dbraw/zinc/72/10/04/711721004.db2.gz KJUSTCDIJVGYTR-NSHDSACASA-N 2 0 240.372 1.340 20 0 BDADRP C[N@H+](C[C@H]1CCOC1)C[C@]1(C)CCC[NH2+]C1 ZINC000398879126 711740388 /nfs/dbraw/zinc/74/03/88/711740388.db2.gz GSPFETAAMVEQQJ-CHWSQXEVSA-N 2 0 226.364 1.344 20 0 BDADRP CN(C[C@H]1CCC[N@@H+]1C)C[C@@]1(C)CCC[NH2+]C1 ZINC000220955943 711752770 /nfs/dbraw/zinc/75/27/70/711752770.db2.gz JWXFMNCSCJZUAF-KGLIPLIRSA-N 2 0 239.407 1.402 20 0 BDADRP CC[C@@H]([NH2+]CCCCCC[NH3+])[C@@H]1CCOC1 ZINC000843340872 711762398 /nfs/dbraw/zinc/76/23/98/711762398.db2.gz GJNWZIFBZHCFRM-CHWSQXEVSA-N 2 0 228.380 1.910 20 0 BDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](C(C)(C)O)C1 ZINC000721797583 711770159 /nfs/dbraw/zinc/77/01/59/711770159.db2.gz GVVCQBNBCMUTTN-CHWSQXEVSA-N 2 0 240.391 1.564 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](Cc2scnc2Cl)C1 ZINC000721906299 711813621 /nfs/dbraw/zinc/81/36/21/711813621.db2.gz HSMWMYIHEWVGCI-QMMMGPOBSA-N 2 0 245.779 1.967 20 0 BDADRP CO[C@H]1C[C@@H](C[NH+]2CCC([C@H](C)[NH3+])CC2)C1 ZINC000721908793 711814234 /nfs/dbraw/zinc/81/42/34/711814234.db2.gz PHHBIZUBQXTRFO-GMXVVIOVSA-N 2 0 226.364 1.471 20 0 BDADRP CC[C@H]1C[N@H+](C[C@@H](O)c2ccccc2)CC[C@@H]1[NH3+] ZINC000226029440 711830007 /nfs/dbraw/zinc/83/00/07/711830007.db2.gz BPHLACHCHZATFF-AEGPPILISA-N 2 0 248.370 1.779 20 0 BDADRP CC[C@@H](CCO)C[NH2+]CC1CC[NH+](C)CC1 ZINC000087362571 711834981 /nfs/dbraw/zinc/83/49/81/711834981.db2.gz VAPDPUDUZKCBGC-LBPRGKRZSA-N 2 0 228.380 1.326 20 0 BDADRP CSC(C)(C)C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000229085136 711837489 /nfs/dbraw/zinc/83/74/89/711837489.db2.gz FCWOXVWPHBUIIZ-UWVGGRQHSA-N 2 0 216.394 1.845 20 0 BDADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1cn[nH]c1 ZINC000229626447 711838743 /nfs/dbraw/zinc/83/87/43/711838743.db2.gz BLSFTKFCDGIVEZ-GDPRMGEGSA-N 2 0 208.309 1.330 20 0 BDADRP CCOCCC[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000083550336 711916504 /nfs/dbraw/zinc/91/65/04/711916504.db2.gz ZZHASYVYRDWHCR-LLVKDONJSA-N 2 0 200.326 1.084 20 0 BDADRP CC[C@@H]1C[N@H+](C[C@@H](COC)C(C)C)CC[C@H]1[NH3+] ZINC000721913810 711918063 /nfs/dbraw/zinc/91/80/63/711918063.db2.gz QDNNNIHELPZHOJ-HZSPNIEDSA-N 2 0 242.407 1.964 20 0 BDADRP C[NH2+]C[C@H]1CCC[N@H+](C[C@H]2C[C@@H](OC)C2)C1 ZINC000721929066 711938001 /nfs/dbraw/zinc/93/80/01/711938001.db2.gz WTLMJUDEUHDGMF-UPJWGTAASA-N 2 0 226.364 1.343 20 0 BDADRP C[C@@H]1CCCC[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000721937306 711940921 /nfs/dbraw/zinc/94/09/21/711940921.db2.gz DWWAMVXXGXSMSA-TZMCWYRMSA-N 2 0 239.407 1.578 20 0 BDADRP C[N@@H+]1CC[C@H](NCC2OCCCO2)CC1(C)C ZINC000922281681 711966096 /nfs/dbraw/zinc/96/60/96/711966096.db2.gz XPDMBRZLKVLZQK-NSHDSACASA-N 2 0 242.363 1.212 20 0 BDADRP CC[N@H+](C[C@H]1CCCO1)C[C@@H]1CCCC[NH2+]C1 ZINC000700383389 711991575 /nfs/dbraw/zinc/99/15/75/711991575.db2.gz IXRPVFBVGBJIOQ-ZIAGYGMSSA-N 2 0 240.391 1.877 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CCCC[NH2+]C2)CCCO1 ZINC000700405962 711991932 /nfs/dbraw/zinc/99/19/32/711991932.db2.gz UOCVIOKPQWZAEK-OLZOCXBDSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@H](CC[NH2+][C@@H]1CSC[C@H]1C)[NH+](C)C ZINC000700489733 711994280 /nfs/dbraw/zinc/99/42/80/711994280.db2.gz UAXUQIVSNMVJJA-GMTAPVOTSA-N 2 0 216.394 1.668 20 0 BDADRP CO[C@H](C)[C@@H](C)[NH2+]CC[C@@H](C)[NH+](C)C ZINC000700488161 711994542 /nfs/dbraw/zinc/99/45/42/711994542.db2.gz CZHAYYLNLSLOCO-GMTAPVOTSA-N 2 0 202.342 1.340 20 0 BDADRP COCC(C)(C)C[NH2+]CC[C@H](C)[NH+](C)C ZINC000700607529 712001295 /nfs/dbraw/zinc/00/12/95/712001295.db2.gz RNHDIBQZEKUEIR-NSHDSACASA-N 2 0 216.369 1.589 20 0 BDADRP C[N@@H+]1CCCC[C@@H](C[NH2+][C@H]2COCC2(C)C)C1 ZINC000700793555 712004888 /nfs/dbraw/zinc/00/48/88/712004888.db2.gz RQJOFLPLRWJURF-STQMWFEESA-N 2 0 240.391 1.733 20 0 BDADRP CC[C@@H]1COC[C@@H]1[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000700809946 712006562 /nfs/dbraw/zinc/00/65/62/712006562.db2.gz WSCBSMWBDHEBSF-MJBXVCDLSA-N 2 0 240.391 1.733 20 0 BDADRP C[N@@H+]1CCCC[C@H](C[NH2+]C[C@@H]2CCCOC2)C1 ZINC000700819892 712007336 /nfs/dbraw/zinc/00/73/36/712007336.db2.gz VZDMRZJXJLUGKI-KGLIPLIRSA-N 2 0 240.391 1.735 20 0 BDADRP C[N@@H+]1CCCC[C@@H](C[NH2+]C[C@@H]2CCCOC2)C1 ZINC000700819890 712007355 /nfs/dbraw/zinc/00/73/55/712007355.db2.gz VZDMRZJXJLUGKI-KBPBESRZSA-N 2 0 240.391 1.735 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CO[C@H](C3CC3)C2)C12CCC2 ZINC000700990876 712011117 /nfs/dbraw/zinc/01/11/17/712011117.db2.gz ISHZLJFCNCFJGX-XQHKEYJVSA-N 2 0 236.359 1.413 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@H]3COC[C@H]3C2)C1 ZINC000702076685 712038222 /nfs/dbraw/zinc/03/82/22/712038222.db2.gz FKNSXCFWUMYXKF-WUHRBBMRSA-N 2 0 224.348 1.082 20 0 BDADRP C[N@@H+]1C[C@@H]2C[NH+](CC3(O)CCCC3)C[C@]2(C)C1 ZINC000702288396 712044925 /nfs/dbraw/zinc/04/49/25/712044925.db2.gz WTLHWDIOALHPPH-OLZOCXBDSA-N 2 0 238.375 1.175 20 0 BDADRP CC1(C)C[C@]1(C)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000702340599 712048041 /nfs/dbraw/zinc/04/80/41/712048041.db2.gz XHWMPXVDQQRERC-GXTWGEPZSA-N 2 0 240.391 1.469 20 0 BDADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2ccoc2)C12CCC2 ZINC000703076135 712065743 /nfs/dbraw/zinc/06/57/43/712065743.db2.gz REDDUTYDVUBZMG-NEPJUHHUSA-N 2 0 220.316 1.682 20 0 BDADRP C[N@@H+](Cc1ccncc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000703487802 712076386 /nfs/dbraw/zinc/07/63/86/712076386.db2.gz MWDJKILNNMSFDN-TXEJJXNPSA-N 2 0 205.305 1.251 20 0 BDADRP Cn1nc(CN2CC[C@H](CC[NH3+])C2)cc1Cl ZINC000706125032 712140059 /nfs/dbraw/zinc/14/00/59/712140059.db2.gz RTBXKGDNNDSYOC-VIFPVBQESA-N 2 0 242.754 1.244 20 0 BDADRP CCO[C@H]1CC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000706469527 712146455 /nfs/dbraw/zinc/14/64/55/712146455.db2.gz PAUHYHMYADXZLY-STQMWFEESA-N 2 0 226.364 1.487 20 0 BDADRP CSC1CC([NH2+][C@@H](C)CC[NH+](C)C)C1 ZINC000706775958 712155271 /nfs/dbraw/zinc/15/52/71/712155271.db2.gz NRGIFJFQGIEACP-WHXUTIOJSA-N 2 0 216.394 1.810 20 0 BDADRP CS[C@H]1CCCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000707330953 712167740 /nfs/dbraw/zinc/16/77/40/712167740.db2.gz RZYIPJIRYPWYEQ-TUAOUCFPSA-N 2 0 228.405 1.941 20 0 BDADRP CCOC[C@H]1CC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000707599429 712176092 /nfs/dbraw/zinc/17/60/92/712176092.db2.gz RCKMJVAUPGQFPZ-LBPRGKRZSA-N 2 0 226.364 1.487 20 0 BDADRP C[C@@H]1C[N@H+](C[C@@H]2CCC(C)(C)CO2)C[C@H]1C[NH3+] ZINC000708081062 712181180 /nfs/dbraw/zinc/18/11/80/712181180.db2.gz ONDWDWDFQDKTFU-UPJWGTAASA-N 2 0 240.391 1.718 20 0 BDADRP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CC[NH2+]CC2(C)C)C1 ZINC000708697756 712197462 /nfs/dbraw/zinc/19/74/62/712197462.db2.gz VKOIIMGBMYHJSZ-GRYCIOLGSA-N 2 0 226.364 1.389 20 0 BDADRP CC(C)[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000708881548 712202867 /nfs/dbraw/zinc/20/28/67/712202867.db2.gz GACGVSXPAKHPDQ-AGIUHOORSA-N 2 0 226.364 1.471 20 0 BDADRP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)O1 ZINC000709789044 712226805 /nfs/dbraw/zinc/22/68/05/712226805.db2.gz GAZYNNXUQWRZSC-MGPQQGTHSA-N 2 0 238.375 1.629 20 0 BDADRP COCC(C)(C)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709847697 712229501 /nfs/dbraw/zinc/22/95/01/712229501.db2.gz BFQSGXSMTZEZHW-CQSZACIVSA-N 2 0 240.391 1.735 20 0 BDADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1cn(C)cn1 ZINC000709971071 712236109 /nfs/dbraw/zinc/23/61/09/712236109.db2.gz WMOIGSHJACIKIL-NSHDSACASA-N 2 0 224.352 1.413 20 0 BDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCc1ccns1 ZINC000710026102 712241965 /nfs/dbraw/zinc/24/19/65/712241965.db2.gz JEXFXYVRERKHCZ-MWLCHTKSSA-N 2 0 225.361 1.403 20 0 BDADRP C[N@H+](CCC[NH3+])C[C@@H]1CC(C)(C)OC1(C)C ZINC000710275095 712250036 /nfs/dbraw/zinc/25/00/36/712250036.db2.gz AVDNGSGPQAAEJM-NSHDSACASA-N 2 0 228.380 1.861 20 0 BDADRP [NH3+][C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2O)C12CCC2 ZINC000710727735 712255538 /nfs/dbraw/zinc/25/55/38/712255538.db2.gz OYFNWXMBSCAGOF-WYUUTHIRSA-N 2 0 224.348 1.149 20 0 BDADRP C[N@H+](CCCCCC[NH3+])CCc1cnccn1 ZINC000710782860 712256669 /nfs/dbraw/zinc/25/66/69/712256669.db2.gz ZGBYACUOHCNQSW-UHFFFAOYSA-N 2 0 236.363 1.470 20 0 BDADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000711465548 712302266 /nfs/dbraw/zinc/30/22/66/712302266.db2.gz BNGFEFBHZGEXEE-QWHCGFSZSA-N 2 0 238.375 1.629 20 0 BDADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@@H]1CCC2(CCC2)O1 ZINC000711469772 712303346 /nfs/dbraw/zinc/30/33/46/712303346.db2.gz OFRYMMYOVLOENJ-AGIUHOORSA-N 2 0 238.375 1.900 20 0 BDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H](CF)C1 ZINC000711454815 712303846 /nfs/dbraw/zinc/30/38/46/712303846.db2.gz NJRQTCAVEXUZRC-WOPDTQHZSA-N 2 0 214.328 1.523 20 0 BDADRP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711531581 712309441 /nfs/dbraw/zinc/30/94/41/712309441.db2.gz AKRDERZGYGURAB-TUAOUCFPSA-N 2 0 228.405 1.655 20 0 BDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)C1 ZINC000711540815 712309843 /nfs/dbraw/zinc/30/98/43/712309843.db2.gz FTLASRUPKKHOCZ-NNYUYHANSA-N 2 0 226.389 1.409 20 0 BDADRP [NH3+]CCCCCC[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711609481 712312254 /nfs/dbraw/zinc/31/22/54/712312254.db2.gz ZHGOQPJGAROXFG-TXEJJXNPSA-N 2 0 228.405 1.800 20 0 BDADRP C[NH2+]C[C@H]1CC[N@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000712706624 712448770 /nfs/dbraw/zinc/44/87/70/712448770.db2.gz YHMDTRJKBHPPHI-BNOWGMLFSA-N 2 0 222.376 1.964 20 0 BDADRP C[C@@H]1C[N@H+](CCCOC(F)(F)F)C[C@H]1C[NH3+] ZINC000713405066 712458956 /nfs/dbraw/zinc/45/89/56/712458956.db2.gz HPSFGCGKQXFYRB-RKDXNWHRSA-N 2 0 240.269 1.440 20 0 BDADRP CC1(C)CC[C@H](C[N@@H+]2CC[C@H](C[NH3+])C2)OC1 ZINC000713592949 712466276 /nfs/dbraw/zinc/46/62/76/712466276.db2.gz OQDOYIKBVWPZAQ-VXGBXAGGSA-N 2 0 226.364 1.472 20 0 BDADRP C[C@@H]1C[N@H+](C[C@H]2CCCC(C)(C)O2)C[C@H]1C[NH3+] ZINC000714321646 712482296 /nfs/dbraw/zinc/48/22/96/712482296.db2.gz VQDHJQSIGJEILB-JHJVBQTASA-N 2 0 240.391 1.861 20 0 BDADRP C[N@H+](CCC[NH3+])C[C@H]1CCCC(C)(C)O1 ZINC000714375679 712484485 /nfs/dbraw/zinc/48/44/85/712484485.db2.gz WBNVAGAHXNHORI-LLVKDONJSA-N 2 0 214.353 1.615 20 0 BDADRP CC(C)(C[NH3+])C1CC[NH+](CCOC2CC2)CC1 ZINC000714397923 712487699 /nfs/dbraw/zinc/48/76/99/712487699.db2.gz ZZWYPWSWGMIZGK-UHFFFAOYSA-N 2 0 240.391 1.862 20 0 BDADRP CO[C@H]1C[C@H](C[NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000714615208 712488633 /nfs/dbraw/zinc/48/86/33/712488633.db2.gz VSHOBXMDMRYZMB-YRGRVCCFSA-N 2 0 240.391 1.731 20 0 BDADRP COC[C@H]1C[C@@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000714450228 712490396 /nfs/dbraw/zinc/49/03/96/712490396.db2.gz SNBNRSGYFPOWBM-SGMGOOAPSA-N 2 0 240.391 1.731 20 0 BDADRP CC[C@@H]1C[N@H+](CCCCCC[NH3+])CCO1 ZINC000036770152 712494822 /nfs/dbraw/zinc/49/48/22/712494822.db2.gz OOZNHGNDMQZWJB-GFCCVEGCSA-N 2 0 214.353 1.616 20 0 BDADRP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc[nH]c2=O)C12CCC2 ZINC000714967490 712503157 /nfs/dbraw/zinc/50/31/57/712503157.db2.gz SKBRKGLGIDQOMC-WDEREUQCSA-N 2 0 233.315 1.147 20 0 BDADRP FC1(F)[C@H]2C[N@H+](CC[C@@H]3CC[NH2+]C3)C[C@H]21 ZINC000715445393 712519141 /nfs/dbraw/zinc/51/91/41/712519141.db2.gz FUKGMFUCWNUDFX-LPEHRKFASA-N 2 0 216.275 1.183 20 0 BDADRP FC1(F)[C@H]2C[N@H+](CC[C@H]3CC[NH2+]C3)C[C@H]21 ZINC000715445383 712519335 /nfs/dbraw/zinc/51/93/35/712519335.db2.gz FUKGMFUCWNUDFX-BBBLOLIVSA-N 2 0 216.275 1.183 20 0 BDADRP C[N@H+](CCC[NH3+])C[C@H]1CC[C@@H](C2CC2)O1 ZINC000715493402 712523523 /nfs/dbraw/zinc/52/35/23/712523523.db2.gz BXFCQEHIFDGKGC-NEPJUHHUSA-N 2 0 212.337 1.225 20 0 BDADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2COCC2(C)C)C1 ZINC000715540152 712526575 /nfs/dbraw/zinc/52/65/75/712526575.db2.gz DLGXKZJESMFLSC-YNEHKIRRSA-N 2 0 240.391 1.874 20 0 BDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)CO1 ZINC000715554631 712528373 /nfs/dbraw/zinc/52/83/73/712528373.db2.gz WTKDAKNQHCFVLM-NDBYEHHHSA-N 2 0 226.364 1.626 20 0 BDADRP C[C@@H]1COC[C@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715574506 712529443 /nfs/dbraw/zinc/52/94/43/712529443.db2.gz UUBBFXTYUQSSLO-IKWCTNDRSA-N 2 0 226.364 1.484 20 0 BDADRP [NH3+]C[C@H]1CC[N@H+](C[C@H]2CCC3(CCC3)CO2)C1 ZINC000716295171 712553696 /nfs/dbraw/zinc/55/36/96/712553696.db2.gz RAQYSWSGQQRRSG-CHWSQXEVSA-N 2 0 238.375 1.616 20 0 BDADRP Cc1cn[nH]c1C[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000716445278 712561273 /nfs/dbraw/zinc/56/12/73/712561273.db2.gz CZNHDFDBPUGXTQ-JTQLQIEISA-N 2 0 222.336 1.196 20 0 BDADRP C[C@H]([NH2+]C[C@H]1CCC2(CCC2)CO1)C1C[NH2+]C1 ZINC000716592639 712564437 /nfs/dbraw/zinc/56/44/37/712564437.db2.gz FNIABWZEWHMLMS-WCQYABFASA-N 2 0 238.375 1.533 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C ZINC000716584826 712564475 /nfs/dbraw/zinc/56/44/75/712564475.db2.gz OJMCRTVPZLBKIZ-YHQUGGNUSA-N 2 0 240.391 1.622 20 0 BDADRP COC[C@H](CCC[NH3+])[NH2+]CC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000717112463 712632494 /nfs/dbraw/zinc/63/24/94/712632494.db2.gz NDRLPLSLNYJWOO-RFQIPJPRSA-N 2 0 240.391 1.766 20 0 BDADRP C[C@@H](O)CCC[N@@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000717428895 712657271 /nfs/dbraw/zinc/65/72/71/712657271.db2.gz GGKVDUQOZSTLAZ-UPJWGTAASA-N 2 0 226.364 1.316 20 0 BDADRP CO[C@H]1CC[C@H](C)[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000717957826 712735241 /nfs/dbraw/zinc/73/52/41/712735241.db2.gz TXFRYXNGIIACEP-RNJOBUHISA-N 2 0 226.364 1.613 20 0 BDADRP C[C@H](C[NH+]1CCCCC1)NC1CC[NH2+]CC1 ZINC000038041411 712801478 /nfs/dbraw/zinc/80/14/78/712801478.db2.gz PVJRMEBGJPZCBB-GFCCVEGCSA-N 2 0 225.380 1.202 20 0 BDADRP [NH3+]C1CC([NH2+]Cc2ccnc3ccccc23)C1 ZINC000719526014 712808846 /nfs/dbraw/zinc/80/88/46/712808846.db2.gz UTGMIIUZLOIEBI-UHFFFAOYSA-N 2 0 227.311 1.814 20 0 BDADRP C[N@H+](C[C@]1(C)CCC[NH2+]C1)[C@H]1CCSC1 ZINC000250816189 712834949 /nfs/dbraw/zinc/83/49/49/712834949.db2.gz XGDQNLPBMSUFRR-NWDGAFQWSA-N 2 0 228.405 1.813 20 0 BDADRP C[N@H+](CCC[NH3+])C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000720868391 712872078 /nfs/dbraw/zinc/87/20/78/712872078.db2.gz XWFCJEUDSXMGGX-SDDRHHMPSA-N 2 0 212.337 1.225 20 0 BDADRP CN1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CC[NH2+]CC1 ZINC000720886670 712874090 /nfs/dbraw/zinc/87/40/90/712874090.db2.gz CNBMIMCWXWIJTN-KGLIPLIRSA-N 2 0 237.391 1.155 20 0 BDADRP C[C@H]1C[C@H](O)CC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000705393640 957199264 /nfs/dbraw/zinc/19/92/64/957199264.db2.gz KTPCIJGBPHZVSH-UONOGXRCSA-N 2 0 240.391 1.708 20 0 BDADRP CN(C)c1cc[nH+]c(N2CCC[C@H]([NH+](C)C)C2)c1 ZINC001165038625 721890886 /nfs/dbraw/zinc/89/08/86/721890886.db2.gz JPJKEVDXAYYTEJ-ZDUSSCGKSA-N 2 0 248.374 1.678 20 0 BDADRP C[C@H]1C[C@H]([N@@H+]2CCOC[C@@H](C)C2)CC[NH2+]1 ZINC000399033032 958491056 /nfs/dbraw/zinc/49/10/56/958491056.db2.gz MUZGLSWZSPBXGG-SDDRHHMPSA-N 2 0 212.337 1.095 20 0 BDADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CC1(C)C)C2 ZINC000308966544 959550499 /nfs/dbraw/zinc/55/04/99/959550499.db2.gz MRFDAAIASNKLII-YFKTTZPYSA-N 2 0 208.349 2.000 20 0 BDADRP C(OC1CC2(C1)CC[NH2+]C2)[C@H]1CCC[NH2+]C1 ZINC001217793969 959608165 /nfs/dbraw/zinc/60/81/65/959608165.db2.gz IVSAAKSEFZEQFU-HIFPTAJRSA-N 2 0 224.348 1.145 20 0 BDADRP [NH3+]CC[C@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000695655920 960329193 /nfs/dbraw/zinc/32/91/93/960329193.db2.gz OLYCUYUBTZTVHL-AWEZNQCLSA-N 3 0 239.407 1.533 20 0 BDADRP C1C[C@H]2CC([NH2+][C@@H]3CCCOC3)C[C@@H]1[NH2+]2 ZINC000709404298 960577907 /nfs/dbraw/zinc/57/79/07/960577907.db2.gz IWFAMCYAOMLMIL-FBTJUVTCSA-N 2 0 210.321 1.038 20 0 BDADRP CC[C@H](CNC(=O)CC[N@H+](C)CC)[NH2+]C(C)C ZINC001269491111 962685955 /nfs/dbraw/zinc/68/59/55/962685955.db2.gz BUDZBCGTFZWQOS-GFCCVEGCSA-N 2 0 243.395 1.221 20 0 BDADRP